smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(Cl)cc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1C 8816000 HOQLFXGGAOSZPX-YQMDHOPXSA-N 431.945 4.556 30 10 IJEE COc1ccc2cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)ccc2c1 26888071 GHVNHOOUEPMKFY-USYSOWRXSA-N 446.528 4.854 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C1=O)cn2C 37858027 ALLOFORPFNVPQA-PDHRUYIUSA-N 432.520 4.741 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(OC)cc3)n2)cc1 58995995 IZWMNIRQKQKBFK-LUILSVGHSA-N 438.557 4.504 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)S/C1=N/c1cccc(OC)c1 59109065 RHQUHLAUGFWRQW-NUKJZCFVSA-N 447.919 4.634 30 10 IJEE N#Cc1ncccc1COc1c(Br)cc(Br)cc1Br 61664875 ALUKGIHLQGBLNQ-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 63250478 GYRBAYPRYQFORK-UHFFFAOYSA-N 442.475 4.650 30 10 IJEE CCCCCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 100170222 XZMOPFYYUSLQKB-UHFFFAOYSA-N 433.599 4.661 30 10 IJEE CCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 102607424 GDWJARULZAIOIO-LAFOYAEKSA-N 428.326 4.979 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 141433028 ZHMATKSWKLCKMW-XMMPIXPASA-N 429.472 4.503 30 10 IJEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1OCC 169896915 NJYKWIZTHSYTHE-OYKKKHCWSA-N 426.904 4.724 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)cc1 169958699 PZPXUGOPIHVWIC-QHCPKHFHSA-N 435.426 4.772 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(OCC)c1 169974521 RMHGGGUFHWUDPH-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 170011586 VANAKXVZWUKNQI-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 170068942 ZNZNBVRNPHSTJY-HXUWFJFHSA-N 434.319 4.537 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OC)c1OC 170127003 MDJPIWNNQBKKJJ-HXUWFJFHSA-N 427.472 4.530 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)ccc1Cl 170135484 FJNBZKYFNUMCOQ-NRFANRHFSA-N 441.911 4.965 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3ccc(O)cc3)oc12 170138549 MMSWTULTVSAEER-OAQYLSRUSA-N 433.460 4.668 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccn1 170174144 CHVJXKHINBGPRA-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)cc1C 170200208 ZGUHABPHPCCMCS-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)cc1 170201887 YKFWZPGYZWAJSK-QFIPXVFZSA-N 426.428 4.619 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccncc2)cc1 170206680 LRPZBBKPGGBBKJ-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)c(OC)c1 170227731 DYMXPVSJJNIUQG-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2)cc1 170241473 MBBSQQCELCNZNF-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F 170247069 KTNICOSMNXVOHH-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2C)c1 170277982 NDJUCQDHJGRZHA-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccco1)c1ccc2c(c1)CCCO2 170290598 FVFFIEULXAHGPN-OAQYLSRUSA-N 437.398 4.666 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccco2)cc1 170297445 FJFZCMSIQZOADS-NRFANRHFSA-N 443.459 4.728 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)o1 170307349 ISGLFASMMAVWJY-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCOC(C)C 170313293 XLJYSLKLPOVQOE-FQEVSTJZSA-N 443.565 4.847 30 10 IJEE C#CCCOc1ccc2c(c1)c(CN1CCC[C@H]1CO)cn2Cc1ccc(Cl)s1 248169869 RIORNSLNTFMYPP-SFHVURJKSA-N 428.985 4.763 30 10 IJEE Cc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br 252462038 PHVWLACKMJYGDB-UHFFFAOYSA-N 433.309 4.977 30 10 IJEE CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)SC1=Nc1ccccc1 252610257 HZRGEBLDRWVLAF-MTTLQMSQSA-N 443.528 4.938 30 10 IJEE COc1cc2c(cc1OC)CN(C=Nc1sc3c(c1C#N)CC(C)(C)NC3(C)C)CC2 254415802 BHPFUTZIFGNLOE-UHFFFAOYSA-N 438.597 4.514 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NC 407386544 DRFVKEZDDMETBN-HZPDHXFCSA-N 433.337 4.717 30 10 IJEE C=CCCc1ccccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 410361314 CVNZLFDGVCRMBJ-LJQANCHMSA-N 446.334 4.956 30 10 IJEE C=CCn1c(SC[C@@H](O)CC(F)(F)F)nc2scc(-c3ccccc3)c2c1=O 470030969 IPLRMVOFLJYXCK-ZDUSSCGKSA-N 426.485 4.716 30 10 IJEE C=CCn1c(SCc2noc(-c3ccccc3C)n2)nnc1[C@@H]1COc2ccccc2O1 471214197 ZNOUJZBUPJRCTO-IBGZPJMESA-N 447.520 4.627 30 10 IJEE C=CCn1c(Sc2cc(CC)nc(-c3ccccn3)n2)nnc1-c1cccc(OC)c1 481838429 KKRPRVAFFDJZRZ-UHFFFAOYSA-N 430.537 4.705 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 520167765 XSIWNQSQISGBMC-UHFFFAOYSA-N 434.502 4.710 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccc(C)cc3)C2=O)cc1 526660601 MGPMVDLJGAGMNC-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](c4ccccc4F)C3)n2Cc2ccccc2)c1 549125618 HVIVFTCIBNFOPM-XMMPIXPASA-N 439.494 4.582 30 10 IJEE COc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586258161 XNJAAYIGBIWOMO-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)NC2CCC(OS(=O)(=O)c3ccccc3)CC2)cc1 586507781 PIUDWUQEIHZVCO-LICLKQGHSA-N 427.566 4.656 30 10 IJEE CCOc1ccc([C@H](O)C[C@@H]2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)cc1 606656544 GZPQYGXGGYVYRO-SJORKVTESA-N 425.337 4.735 30 10 IJEE COCCOc1ccc([C@@H](C)NC(=O)c2ccccc2Oc2ccccc2C#N)cc1OC 611492448 BQONIXQUVIMRPI-GOSISDBHSA-N 446.503 4.875 30 10 IJEE C=CCC1([C@@H](Cc2ccncc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722941309 QXGISQZKGOIRFW-GOSISDBHSA-N 438.410 4.568 30 10 IJEE C=CCC1([C@@H](Cc2ccc(Br)c(F)c2F)NC)CN(C(=O)OC(C)(C)C)C1 722943045 YEHPDBKWDVGNTD-OAHLLOKOSA-N 445.348 4.671 30 10 IJEE Cc1c(C#N)cncc1C(=O)Nc1cnc(-c2cc(Oc3ccncc3)ccc2Cl)cn1 725394145 DUBYNQVPIYNLIN-UHFFFAOYSA-N 442.866 4.812 30 10 IJEE N#C[C@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1ccccc1Br 733266612 KRCRBUPTTCLDEV-INIZCTEOSA-N 433.103 4.688 30 10 IJEE CON=Cc1ccc(-c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)cc1 761359264 FTJXXBCCWFDESL-UHFFFAOYSA-N 443.488 4.685 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 771637141 PRKJFKNMYVVFFR-UHFFFAOYSA-N 425.485 4.699 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnc(Cc2ccccc2F)s1 773980961 VYZQULSLQMAGCW-GOSISDBHSA-N 435.524 4.959 30 10 IJEE C=CCNC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1c(C)ccc(O)c1Cl 777509862 NGSJFLQRKJWLPN-UHFFFAOYSA-O 429.871 4.647 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ccccc2Oc2ccccc2C#N)C1 778264526 GLZWATNJGIGNRY-SFHVURJKSA-N 435.524 4.727 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 790244902 OEKPSILSISCRET-CMJOXMDJSA-N 448.514 4.954 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NCC3CCC(C#N)CC3)c3ccccc3O2)C1 799724896 AQMFAIFFBWTEOS-QNPJOKLBSA-N 425.573 4.809 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 800778256 COOWZAIAKZRQJH-NRFANRHFSA-N 426.923 4.874 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)OCc3ccc(Br)cc3C#N)o2)cc1 805428653 GOKMTCSABFNVEB-UHFFFAOYSA-N 441.281 4.660 30 10 IJEE Cc1cccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)c1 1084433184 NLSGTVAXKLQJHX-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 1131361178 FJZTVIAPAVQDBH-INIZCTEOSA-N 442.972 4.757 30 10 IJEE Cc1nc(SCC(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)c(C#N)c(C)c1C 1149701352 GCLSFHKNLDGCON-SFHVURJKSA-N 425.554 4.608 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)n[nH]2)c1 1161913678 GBOCFRFIRVERCT-UHFFFAOYSA-N 448.895 4.563 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccccc3)C2=O)nc2cc(Cl)ccc2c1=O 1164458637 CUUJPZKSWONJIO-IBGZPJMESA-N 425.941 4.524 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]c2c(C)cccc2c1=O 1182502435 LNVRDEDRODGDFP-UHFFFAOYSA-N 429.289 4.567 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H](CO)Cc1ccccc1 1199750247 CARRECQMJJLPGY-QHCPKHFHSA-N 429.520 4.513 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc(OC)c1OC 1204206957 DIOFBSZQJULJKP-UHFFFAOYSA-N 435.402 4.524 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C 1205096548 CHWDVQIGGSCUNS-UHFFFAOYSA-N 433.961 4.838 30 10 IJEE C=C(Cl)C[C@@H](NCc1cc(Br)c(C)c(Br)c1)C(=O)OCC 1207129303 MHGWSBMNCZPCDX-CQSZACIVSA-N 439.575 4.684 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(Br)cc1 1222670092 IDHPZAVMFMRWEY-HUUCEWRRSA-N 440.124 4.863 30 10 IJEE C#C[C@H](NC(=O)NCCCc1ccc(Br)cc1F)c1ccc(Cl)cc1F 1227376834 ZFXZOZJJKMIQRS-SFHVURJKSA-N 441.703 4.987 30 10 IJEE C#CCOc1ccc(CNC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)cc1 1228784781 XICHDIXSJRPXTJ-LJQANCHMSA-N 445.382 4.840 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1 1230625039 NDMMJVLOPVESQF-GHTZIAJQSA-N 431.374 4.607 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 1251831398 WVJHJCXZUZORBD-QUCCMNQESA-N 425.960 4.619 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(Cl)cc1 1252450158 YOTCKIWOMDQYPA-KKUQBAQOSA-N 443.978 4.982 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1ccncc1C)c1ccc2c(c1)OCO2 1264077492 DRSGHRKNQNIJOF-DHZHZOJOSA-N 428.488 4.930 30 10 IJEE CC(C)(CC(=O)Nc1sc2c(c1C#N)CCCCC2)NC(=O)OCc1ccccc1 1264129954 CKOXAEYTNIEFCV-UHFFFAOYSA-N 425.554 4.922 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1 1264898012 VCVHFBYORMSVKZ-UHFFFAOYSA-N 437.517 4.628 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 1264906120 AYTUANDPAWTTKN-NRFANRHFSA-N 435.549 4.799 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1ccnc(NC(=O)C2CC2)c1 1265007823 HIDZBDDAHPZFGM-UHFFFAOYSA-N 430.895 4.802 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccc(F)cc2F)CC1 1286304539 IIHWOYIJRUWSSV-YRISNDGFSA-N 442.554 4.665 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccc(C)o1 1286338773 DZHJSDLTBFSUJM-UHFFFAOYSA-N 431.309 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNc1ccccn1 1286423239 IWIRRJPCLYHRIE-UHFFFAOYSA-N 440.595 4.603 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC(C)CC1 1286452500 IEQUWBUTOHYNFA-IBGZPJMESA-N 446.064 4.804 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCC1 1286452672 SIPLAIXXMVBEEI-FQEVSTJZSA-N 444.023 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H](C)N1CCCCC1 1286516776 KFMBVSIFUICUOS-MHECFPHRSA-N 443.998 4.994 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC=C(C)C1 1286562465 ABPNLOFCKOBKGD-AVRDEDQJSA-N 428.964 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](CC)N1CCc2ccccc2C1 1286579456 PCJYENHPGNIGCJ-BJKOFHAPSA-N 437.632 4.759 30 10 IJEE C=CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(CC)CC(C)C)c1ccccc1 1286678736 DESFXFLMGVFJNC-FQEVSTJZSA-N 435.572 4.848 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnccn1)c1ccccc1 1286679003 IFRIMWHEUWONAN-OAQYLSRUSA-N 430.581 4.717 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 1286688848 FLNDOCXIGMAXSY-UHFFFAOYSA-N 430.478 4.572 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286690267 GANLEIYKTGTOCK-BKMJKUGQSA-N 438.616 4.584 30 10 IJEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1286712791 KVTMVFZYQPNLTK-UHFFFAOYSA-N 445.611 4.723 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1OCCC1(C)C 1286739202 SOQUNYPPYQNBRZ-QFIPXVFZSA-N 436.556 4.863 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCCc1ccnc(C(C)(C)C)n1 1286742151 VOMNCNDNRXNGGH-UHFFFAOYSA-N 443.599 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C)no1 1286750145 QSBVHJXJVCZAQS-UHFFFAOYSA-N 441.507 4.746 30 10 IJEE C=CCN(CCOC)c1nnc(CCc2ccccc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286768789 HWRVWXUBRJJHLM-UXHICEINSA-N 436.522 4.996 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ncc(Br)cc1Br 1296462629 GQOWGNJFQDYOFU-UHFFFAOYSA-N 440.135 4.757 30 10 IJEE CO[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@](C)(C#N)C1)C(C)(C)C 1299642029 GXZICEOYCRNABU-PXDATVDWSA-N 447.587 4.526 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 1299876004 VKGVLWPCDWWHFI-RHSMWYFYSA-N 427.463 4.710 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300371521 UNLXXQDMANUPJE-QHCPKHFHSA-N 438.616 4.659 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(CC)s1 1300578817 HMAJLPDSACWGCG-UHFFFAOYSA-N 441.560 4.735 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCS1 1300658210 YYAQNXNRFBTJBB-HNNXBMFYSA-N 447.029 4.795 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 1300737397 PTDJSVPVPOYFEA-YCRPNKLZSA-N 434.508 4.630 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)CN1CCCC1 1300788044 QFOVLJZRRMPZPV-PCGJDWNTSA-N 449.643 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1300896230 DBQFJKVHTNHCAG-FIKGOQFSSA-N 446.020 4.943 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cc(C)cc(C)c1 1300901447 OELJDGUBFNCDFA-RUZDIDTESA-N 426.605 4.581 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1301091523 HHDPPPWVACENEK-UHFFFAOYSA-N 447.583 4.677 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN(C)C2CCCCC2)CC1 1301127521 OJZZALULJJQGGO-UHFFFAOYSA-N 443.586 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](COCC)C1 1301140046 ZIDYADMLWLCPBG-IBGZPJMESA-N 434.588 4.800 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301148116 LHKMSSDITQFBGJ-WOJBJXKFSA-N 443.661 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1301158532 ICIUYEXVBJSHIW-XMMPIXPASA-N 442.629 4.798 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 1301245469 IKARSASMGZAXNV-GJZGRUSLSA-N 437.357 4.532 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1c(C)coc1C 1301337326 COVDFOUPXKEQSD-UHFFFAOYSA-N 429.524 4.799 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC(F)(F)C1 1301396824 GILCGHDDICKWTM-KRWDZBQOSA-N 437.535 4.574 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC(C)(C)c1ccccn1 1301399670 RNQUZZTWMHXXHF-UHFFFAOYSA-N 440.595 4.892 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1303635139 AMDLSBGMUWOFDE-OAHLLOKOSA-N 433.585 4.967 30 10 IJEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(OC3CCCC3)cc2)n1 1304452668 DSFHTCNHANNNGR-SFHVURJKSA-N 430.556 4.614 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1CCCCO1 1306292546 BDGBPIOMTGCDTI-FCEUIQTBSA-N 437.588 4.703 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CCOC 1306307710 BBAXJTWMXDTCPI-IRXDYDNUSA-N 433.959 4.930 30 10 IJEE CCOC(=O)c1c(NC(=O)COc2c(C)cc(Cl)cc2C#N)sc2c1CC[C@@H](C)C2 1307357753 CEMMTORTZPLWLS-GFCCVEGCSA-N 446.956 4.901 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1cc(Cl)ccc1F 1309604029 FZUQPUZZJXKPQW-GFCCVEGCSA-N 434.842 4.742 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(Cl)c1Br 1309889833 HCUXDQUJSWMIPQ-QGZVFWFLSA-N 438.774 4.804 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2c(CC)ccc3ccccc23)cc1 1310132035 YDNAHEVRVJPXPW-UHFFFAOYSA-N 437.565 4.530 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(I)cc2Br)C1 1310388986 WOITUZIUDLHXKA-NSHDSACASA-N 449.130 4.874 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(Nc3ccc(OC(F)(F)F)cc3)sc2=S)C1 1320029776 LOMZRKMEYNBGQD-CQSZACIVSA-N 432.493 4.551 30 10 IJEE C=C(C)Cn1c(-c2oc3ccccc3c2C)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 1343387489 UKOUFGPVWVHEFW-SFHVURJKSA-N 443.555 4.886 30 10 IJEE C=CCN(Cc1cccs1)C(=O)CCCOc1ccc(I)cc1 1355648156 BAEYDMVELRSJTK-UHFFFAOYSA-N 441.334 4.727 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 1357804048 QCUKWSJFIOXTLV-UHFFFAOYSA-N 449.320 4.767 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1358921941 OEQHQZUPRAVYGH-HOTGVXAUSA-N 436.423 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nc(C(C)C)cs1 1358991140 OOJDWPQPSYSRHM-UHFFFAOYSA-N 442.592 4.528 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1359014485 KVKNSWFRYJFKMV-QZTJIDSGSA-N 433.021 4.889 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1sc(C)nc1C 1359071352 NKFHXCNORWVALX-JOCHJYFZSA-N 425.989 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC)CC1 1359074496 GMSMXJJMFJHNRB-FDDCHVKYSA-N 427.593 4.532 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](C)(CC)C1 1359085877 CAMRXCLIZRSRKD-OAQYLSRUSA-N 428.378 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](OC)C(F)(F)F 1359116347 IBFYPLCQNNJDLA-IXDOHACOSA-N 432.531 4.567 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1359121292 HEUCXRJJWFEDKV-KXBFYZLASA-N 431.378 4.982 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCO[C@H](C)C1 1359154118 DWYPMDUZOBKZNQ-QGZVFWFLSA-N 439.387 4.619 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCN(CC)CC)CC1 1359161723 OLVCQHHASYIOAV-UHFFFAOYSA-N 438.439 4.657 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCOC(C)(C)C)CC1 1359175398 KCPIFBISMQRLNT-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1OCC(F)(F)F 1359235016 KJXONKKDMWUYLG-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccsc1)C1CC1 1359253347 BNLADWXQJBYZMS-IBGZPJMESA-N 443.617 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CCCC(=O)N(C)C 1359262287 NYNXFGUPKGRDCO-UHFFFAOYSA-N 444.004 4.721 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359266721 KLSFEHRJMXGAPV-YRPNKDGESA-N 428.552 4.939 30 10 IJEE CC(C)(CC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)NC(=O)OCc1ccccc1 1361009183 GFCRJQDHFRCJGB-UHFFFAOYSA-N 444.491 4.779 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(I)c(F)c1)c1ccc(F)c(F)c1 1435949799 APODBMORLQXKOR-INIZCTEOSA-N 431.195 4.756 30 10 IJEE Cc1nc(SCC(=O)N[C@H](C)c2ccc(Br)cc2F)c(C#N)c(C)c1C 1436598482 HUTXMHPEMZNNBP-CYBMUJFWSA-N 436.350 4.750 30 10 IJEE CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)c1nc(O)c(C#N)cc1C 1442213828 YFJQSBWAXQVSGC-UHFFFAOYSA-N 429.398 4.908 30 10 IJEE N#Cc1ccc(F)c(C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)c1 1459366220 HNIIPOUFWXOFJB-UHFFFAOYSA-N 428.236 4.841 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(n2c(CC)nc3ccccc32)CC1 1459852663 KSCFKXFGFNTNBE-LJQANCHMSA-N 436.625 4.900 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1 1460048603 QHAYZKIPVKBCJV-UHFFFAOYSA-N 448.514 4.616 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1470489867 ROJHUEWKAZWMMO-JOCHJYFZSA-N 429.605 4.852 30 10 IJEE C#C[C@@H](NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 1470661565 AEMJNTNMLMXSBS-JOCHJYFZSA-N 430.379 4.975 30 10 IJEE C=CCn1c(SCCO[C@@H]2CCCCO2)nc2cc(-c3ccccc3)sc2c1=O 1472955974 LKPXLLGMHYMCBY-LJQANCHMSA-N 428.579 4.946 30 10 IJEE C=CCC[C@H](NC(=O)NC1CCN(CCOC(C)C)CC1)c1ccc(C(F)(F)F)cc1 1478134117 ULSFGHWUHWZGIM-NRFANRHFSA-N 441.538 4.901 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCO[C@@H]1CC(C)C)[C@@H]1CCOc2ccc(Br)cc21 1478500496 YKNKALUBRFYHKJ-SFHLNBCPSA-N 449.389 4.511 30 10 IJEE CO[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC#N)CC1CC1)C(C)(C)C 1503970885 GLKLVASMCJDQRQ-JOCHJYFZSA-N 447.587 4.526 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1507783751 HLWYGJAQBVQYIJ-ROUUACIJSA-N 449.368 4.777 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(F)c(F)c1 1507808396 QQYNYGIYQONDQM-WMZHIEFXSA-N 430.543 4.907 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507852531 AWTNCOHTDGVISJ-MOPGFXCFSA-N 447.986 4.622 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCn2cc(Cl)cn2)CC1 1507897553 RTPWCKHTUNGMBX-MRXNPFEDSA-N 444.942 4.510 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1507899804 VFMIJTMNHRGLMO-DEOSSOPVSA-N 432.616 4.551 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507915954 HSWVDGYRRZTJCH-NHCUHLMSSA-N 426.609 4.777 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1snnc1C 1507929568 SCPNKJFJQGKNKJ-UHFFFAOYSA-N 433.585 4.884 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCCCO1 1507999962 SJKFJPWCAGSCJM-PKTZIBPZSA-N 435.572 4.543 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCO[C@H](C)C1 1508028856 WERYADRDZMJYEL-RTWAWAEBSA-N 445.567 4.850 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)C1 1509553308 ALGLSCGRNODONV-YADARESESA-N 441.023 4.849 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C 1509918507 HKMJFEAZHCRKRQ-XLIONFOSSA-N 446.580 4.972 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC#N)CC1)C1CCCC1 1516153033 AOKRLDZINAQIHZ-HSZRJFAPSA-N 436.604 4.764 30 10 IJEE C=C(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 1527981541 PGJQABRHWSQTHN-IBGZPJMESA-N 445.357 4.845 30 10 IJEE COc1ccc(C[C@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 1529813122 CFSWFHCZBBLGEP-SFHVURJKSA-N 430.504 4.972 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(F)c(Br)c1 1533507398 YAQCBFNUBJOQEU-HNNXBMFYSA-N 428.302 4.504 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(c2nc(C)no2)CC1 1539053745 ZHLMYEQLKPXIPX-QFIPXVFZSA-N 432.572 4.699 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1scnc1C 1539097580 RWQIHXDFHLKKRW-UHFFFAOYSA-N 448.365 4.661 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCC[C@@H]1CC 1539301602 RPOUWWXJJFQMGI-UNMCSNQZSA-N 426.568 4.624 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@@H](C)C1 1539526986 RMMWUHOKTWOLLQ-GJZGRUSLSA-N 439.412 4.623 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1539734823 FRCDQZQXHGMVPH-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1Cc1ccccc1 1539736282 VRWJNKLAHBPOJO-OAQYLSRUSA-N 437.975 4.798 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2csc([C@@H](C)OC)n2)CC1 1539861173 PTHCAVVQRSMVBW-BHIYHBOVSA-N 445.633 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCSC 1539906474 OZTGTHGCUNGYDU-UHFFFAOYSA-N 426.428 4.827 30 10 IJEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1539971806 UFAITQBHVCQYQT-UHFFFAOYSA-N 448.615 4.590 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1539974133 KSJKMHMJJMNBIQ-HXUWFJFHSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(Cl)ccc1OC(F)F 1540058932 ZQBVHWHQYOYIFC-UHFFFAOYSA-N 440.281 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1540065666 HTHFHCYPGUWPEW-OYRHEFFESA-N 447.631 4.510 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 1540091614 YTOZDJYLFZTRAY-LJQANCHMSA-N 432.973 4.806 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)Nc1cccc(Cl)c1C)C1CC1 1540101531 FUXOKOLLMZUFAG-UHFFFAOYSA-N 439.947 4.992 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N1CCC(C)CC1 1540147118 NVNSPZRYTPGIOH-NHCUHLMSSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCCc1c[nH]nc1C 1540158510 KKKYAVNMBSWLDA-UHFFFAOYSA-N 441.377 4.550 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1540172416 ZXQNNJWRIFFYIM-UXHICEINSA-N 428.024 4.821 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@H]1C(C)C 1540179832 BELBPBZVSQKQRR-RPWUZVMVSA-N 431.584 4.636 30 10 IJEE C=C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)C[C@@H](C)C2 1557622567 NKEFFKQXZNJUKX-KIWKJEFJSA-N 441.575 4.700 30 10 IJEE C#CCN(CC(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1)C(=O)OC(C)(C)C 1557933219 VWNYREOQDJLKKI-ZIAGYGMSSA-N 445.507 4.788 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCCCCC2)nc2sc3c(c2c1=O)CCCCC3 1559309916 IBVXMDVGBJHTCW-MRXNPFEDSA-N 445.654 4.796 30 10 IJEE Cc1cc(Cl)ccc1Cc1cnc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 1562760013 CKIOIHKIFNNOED-UHFFFAOYSA-N 438.940 4.863 30 10 IJEE C=CCCC[C@H](NC(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1)c1ccccc1 1565277717 WKTVPUSCIURHNG-SANMLTNESA-N 440.676 4.922 30 10 IJEE C=CCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)CCOCC1 1584957199 SWXOODQQFMAFGK-UHFFFAOYSA-N 433.552 4.897 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(SCC)c1 1587915940 WIVIYCNEZPMHBB-IBGZPJMESA-N 435.597 4.660 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCCS1 1588445268 JGLDNNJQMIAYOE-DEOSSOPVSA-N 426.630 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN(C(C)C)C1 1589177379 IWVJZOIDOFVPAW-HOYKHHGWSA-N 443.998 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@@H](C)c1nccs1 1589559760 ULUJUIWZVIYXKZ-QFUCXCTJSA-N 429.634 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](F)COC 1589599713 KDAYWRTWNNDFGU-HXUWFJFHSA-N 425.552 4.740 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@H]1Cc1cccs1 1593722657 UTSJMHWTEYMSPD-SFHVURJKSA-N 426.561 4.950 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1594077033 HCTMLNNEMIJYHB-DLBZAZTESA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)C(=O)NCC 1594868506 ZOAMXWQKERWZQN-UHFFFAOYSA-N 431.993 4.598 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(CSC)c1 1594885733 NOGISUMPGXWTJM-UHFFFAOYSA-N 446.418 4.580 30 10 IJEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)C(F)(F)F 1595308044 VODRUFKRIASXQK-UHFFFAOYSA-N 435.494 4.508 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(C)(C)C)C1 1595664945 MCDVXSAXMJZBDF-QFIPXVFZSA-N 448.615 4.625 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)cc1 1596797848 CMVXCNHIOBUZBX-CYBMUJFWSA-N 448.365 4.747 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(Cl)cc1F 1597724990 BDIPBQSFAHJNAB-UYAOXDASSA-N 445.970 4.777 30 10 IJEE CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1csc(Br)c1 1615244258 AADUHYMGHYQAPP-UHFFFAOYSA-N 438.416 4.783 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ncc(Cl)s1)c1ccc2c(c1)OCCO2 1616619797 FELCCTJINVZNIM-UHFFFAOYSA-N 442.924 4.980 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccnn1CC1CCC1)c1ccc(C(F)(F)F)cc1 1621949521 PNTGXFRTYLNQND-GOSISDBHSA-N 427.492 4.688 30 10 IJEE C=CCCCN(CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 1622796218 BWFRHFXLYJGCOC-HDICACEKSA-N 431.577 4.927 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 1624746166 CUKIPSXSUOGZKM-UHFFFAOYSA-N 444.507 4.706 30 10 IJEE C#CC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCCC1 1625027132 PBDFGOSUWIDNGY-UHFFFAOYSA-N 448.364 4.907 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)c1 1625965994 FFDJUIXIOQPLEJ-DEOSSOPVSA-N 431.923 4.577 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)c3nn(-c4cccc(F)c4)cc3O)c2)cc1 1625995989 AWNGIQXZBKEHBM-UHFFFAOYSA-N 442.450 4.614 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F 1627607296 HNVJRCYFYTZRHR-JLZZUVOBSA-N 431.512 4.788 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)cc1OC(F)F 1632210217 KQXZWTWSTDCPBR-RISCZKNCSA-N 436.858 4.640 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 1632422247 XBDRZXVWTVXPFC-CQSZACIVSA-N 426.989 4.910 30 10 IJEE C#C[C@H](C)N(C)C(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1635422862 GMHIVYFSWRTESY-GAJHUEQPSA-N 436.939 4.516 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)c(Cl)c1 1636512333 BSPYPVGEXULSAR-UHFFFAOYSA-N 442.899 4.822 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 1637945416 ZNBLZRHKUMICTR-SFHVURJKSA-N 443.510 4.955 30 10 IJEE Cc1cc(Cl)cc(C#N)c1OCC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 1641217415 GVMMYDXWGNVBAD-JOCHJYFZSA-N 428.916 4.574 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3cccc(F)c3)C2)n(Cc2ccccc2)c1C 1645450219 FQEYWQNLBRBWRE-QFIPXVFZSA-N 430.527 4.592 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSCc2ccc3c(c2)OCO3)cc1 1652792860 CJKYWLKDXXRXRZ-UHFFFAOYSA-N 449.532 4.575 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)CCC)nc2sc3c(c2c1=O)CCCCC3 1655979882 ZIFZBDHECCRXOA-LSDHHAIUSA-N 433.643 4.698 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCc3cc(OC)ccc3C2)cc1OC 1655982308 WASNHTPGZQKHER-GOSISDBHSA-N 432.358 4.678 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1[C@@H](C)C(=O)N(CCC#N)c1ccccc1 1657605796 FKNGAWLRFRQCMC-PZJWPPBQSA-N 442.007 4.973 30 10 IJEE C=CCC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 1657968090 OGAGHNQVIKJPOR-LJQANCHMSA-N 433.430 4.800 30 10 IJEE Cc1cc(C2CCN(S(=O)(=O)c3cc(C#N)ccc3C)CC2)ccc1Br 1661532040 AQRQKDQKBFMPBR-UHFFFAOYSA-N 433.371 4.506 30 10 IJEE Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Br 1663054326 CABGZLVWBVOZPL-SFHVURJKSA-N 439.762 4.808 30 10 IJEE C=C1CCC(CNC(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 1667443208 UTHXZNCHLWOZGY-ROUUACIJSA-N 443.588 4.975 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1669370341 HNMZKIKVUGCSPP-AUSIDOKSSA-N 444.604 4.854 30 10 IJEE C#CC[C@H](NC(=O)N1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC)c1ccccc1 1670716637 QCKZMJXBCADNKY-SDHSZQHLSA-N 447.579 4.972 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(Cl)cc1F 1673239708 VEIPUNCRQNLTBI-BTYIYWSLSA-N 427.907 4.731 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H](COCCC)Cc1cccc(Br)c1)c1ccccc1 1680742899 CGVBFUZDBFJXHG-YADHBBJMSA-N 443.385 4.851 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 1683106283 DFDRJKGJRQRQOP-LEWJYISDSA-N 429.358 4.719 30 10 IJEE C#C[C@@H](NC(=O)N1CCOc2c(Br)cccc2C1)c1ccc(Cl)cc1F 1683516809 JGVIHKUNCTYODW-QGZVFWFLSA-N 437.696 4.520 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cnc(C(C)C)nc1 1689882466 AZDXZJCHPAHYKZ-UHFFFAOYSA-N 439.567 4.847 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCn2cc(C)nc21 1690066215 BWYINUXCVGXXFY-MRXNPFEDSA-N 443.382 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC1CCOCC1 1690255612 TZOFROSTSZCEOR-UHFFFAOYSA-N 439.604 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CSCCS1 1690256217 GTZXXUOBMKTIEH-DLBZAZTESA-N 436.622 4.808 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690289904 VBXVDOJVJNWTIO-SFHVURJKSA-N 425.577 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCOCC2(CC2)C1 1690439298 AVKJXSOTBNUODA-UHFFFAOYSA-N 442.629 4.798 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1ccsc1 1690473670 CWQLRDFECYHLIH-FQEVSTJZSA-N 442.610 4.718 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690477863 JKEWAWOZBDKUAP-PMACEKPBSA-N 439.604 4.959 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)C)C1 1690687977 LXZLNWPWHMDJSA-HSZRJFAPSA-N 449.599 4.559 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(C)C)C1 1690688710 ZNMNBHGWRQZBQP-MRXNPFEDSA-N 437.357 4.674 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1cccc(C)c1 1705479815 MASQSVOPSHSNAK-DLBZAZTESA-N 440.389 4.616 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1705517819 GBGSWHRBIYVPMB-HSZRJFAPSA-N 429.008 4.884 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705524438 LUDMODKSTAMKLP-FUHWJXTLSA-N 432.490 4.842 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCS1 1705619981 IDSVLYMSQNOTFW-RTWAWAEBSA-N 428.577 4.584 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705749000 HPCXALLNIRCBOJ-HRAATJIYSA-N 442.947 4.731 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2cnn(CC)c2)CC1 1705808588 RVWXLZIDODBFMH-UHFFFAOYSA-N 439.633 4.591 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1705827122 VHJVUDDNBAFNSF-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OC(F)(F)F 1705873498 LKLSTDAPMZPGIB-UHFFFAOYSA-N 429.446 4.774 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@@H](C)C1 1705942196 KBTLCKAMWCWQTG-BETUJISGSA-N 427.437 4.781 30 10 IJEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N1CCCC1 1706484429 DHOWDPDGXVGWJG-NRFANRHFSA-N 434.613 4.808 30 10 IJEE COCC1(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1712195863 FJHYEFGJIKGWIU-YOSAUDMPSA-N 443.636 4.534 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC(C)(C)C1 1722313595 BAHISPWOLGQBDP-UHFFFAOYSA-N 434.540 4.536 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCCc2cccnc21 1722391698 SCHXTENCBGGMPT-RPBOFIJWSA-N 437.591 4.798 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCCCC1 1722479463 GATVGXMABLADMX-UHFFFAOYSA-N 427.350 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](COC)C1 1722496886 OPGGRPXUWPFMFZ-LZJOCLMNSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1 1722501933 HEYKGOHYAKYQCY-SWCUUOBISA-N 449.599 4.725 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1722612153 FEOHBHCTHCQLQL-UHFFFAOYSA-N 426.908 4.547 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722613042 PWWNZBQUFDXRBF-UHFFFAOYSA-N 443.382 4.940 30 10 IJEE C=CCCOCCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1722625892 BGQIDZWFVSDNHY-UHFFFAOYSA-N 433.478 4.532 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@H]1OC)C1CC1 1722645449 MZFDUUTVGOTDQM-IFXJQAMLSA-N 449.368 4.817 30 10 IJEE C=CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(C)C)C1CC1 1722649999 JJUNNJLRXLCCIS-UHFFFAOYSA-N 448.615 4.902 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC2CC(F)(F)C2)cc1 1722705342 BPJGTZQLJBXBFN-FQEVSTJZSA-N 432.515 4.614 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1C 1722734890 LAGGDZAUWRYBPL-CQSZACIVSA-N 437.407 4.624 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)Cc1cccs1 1740532153 CNCPZXWZKCYQTC-OKZBNKHCSA-N 426.561 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1ccc(C)cc1 1740540174 YJDUVOCAJMIJST-IRXDYDNUSA-N 440.389 4.616 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1740583585 SQIDOAOKJNMZAY-FQEVSTJZSA-N 443.389 4.516 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1C(F)(F)C12CCC2 1740618377 DOILEPIUFQMTIA-LJQANCHMSA-N 448.945 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1(O)CCCC1(C)C 1740663190 BSPQIDGFYVALOB-VWLOTQADSA-N 449.624 4.778 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCn1nc(C)cc1C 1740664329 MPWBQPHFOXVODJ-UHFFFAOYSA-N 436.629 4.639 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOC(F)(F)F 1740664456 QUJHZVONMJDVGO-UHFFFAOYSA-N 426.508 4.662 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CC1CCC(F)(F)CC1 1740675166 HYLZICUDNBDRHR-UHFFFAOYSA-N 434.556 4.864 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC1CCC(OC)CC1 1740770985 ODWVXCMYYLUTKZ-UHFFFAOYSA-N 426.561 4.672 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@H]1C 1740789891 MPKQXKBISXEONM-RBUKOAKNSA-N 428.577 4.568 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)CC[C@H]1C 1740883189 LYMNCQRHPRJOSK-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(OCC(F)(F)F)nc1 1740894002 GCKBEQRYQCYWFS-UHFFFAOYSA-N 443.429 4.698 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1740913479 NMRXBNPJJUNSLX-DEOSSOPVSA-N 426.630 4.975 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1Cc1cscc1C 1740916856 ZFWRRFVNVQZPFY-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C 1740920613 DUFMCKSKIZHVAX-AZUAARDMSA-N 432.609 4.891 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1740977297 FWAIBDIBCCFIJO-VAMGGRTRSA-N 445.489 4.892 30 10 IJEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1741444249 DCWRFCCMKUMEOL-ZJSXRUAMSA-N 434.632 4.517 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(OC)CCC(C)CC1 1748656791 YYTDCLJAUDSUSB-WCCYLALTSA-N 430.980 4.660 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nccs1 1748906977 DTWSQFUCKCPOCW-MRXNPFEDSA-N 429.977 4.653 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1748908502 ZMCSGEFMXSUZRA-LJQANCHMSA-N 427.474 4.742 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOC(F)F 1748917964 SIWZUPWERWGZMF-UHFFFAOYSA-N 434.487 4.902 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H](C)C1CCC1 1749134011 SYBBEGNPIAGINC-BPXKWBHBSA-N 429.634 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](CC)C1 1749136326 MAPPMDRCMVNNLC-SPEDKVCISA-N 430.980 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 1749370389 IIYTVEHOBHRKNY-NRFANRHFSA-N 426.605 4.731 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCOC2(CCCCC2)C1 1749408750 NSMMLVXMZCPOMZ-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(CC)C1 1749424865 QDSNAUCFZSXWDA-RUZDIDTESA-N 434.588 4.829 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)o1 1749431159 WYSYRALCANAIPK-UHFFFAOYSA-N 433.325 4.966 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C 1749531609 NQXDCUUHUXUMOV-ZEVJAHDQSA-N 449.599 4.600 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)C1CC1 1749745738 FWHCXRSJBQVVJI-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1749755364 YGVUMIPIXINMOH-LJQANCHMSA-N 437.009 4.737 30 10 IJEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CCOC1(C)C 1752435924 DVVWASPQSXPNEV-MRXNPFEDSA-N 429.515 4.646 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(CC)CC 1760116779 SXMOURKRHYCBMU-WIYYLYMNSA-N 439.991 4.656 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1760158566 OQAYGNPOICXQCS-PXNSSMCTSA-N 443.389 4.802 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2[C@H]1C 1760160638 GPVWAOOBMNNCLO-TZIWHRDSSA-N 449.599 4.887 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1C(F)(F)C12CCC2 1760178303 HESYSFVMEMRXFV-LJQANCHMSA-N 428.527 4.659 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC=CCC1 1760330568 HRHSSVPXGROYLU-SFHVURJKSA-N 426.561 4.730 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1CC(F)(F)C1 1760353393 QKMBTXOXSMQVOV-UHFFFAOYSA-N 427.499 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCSC(F)(F)F)CC1 1760400440 BAVIOQWAMFYPLZ-UHFFFAOYSA-N 448.518 4.786 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=C)Br)CC1 1760405252 VIGRLZUQKOJZGY-UHFFFAOYSA-N 426.362 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760409476 WCYQHZBIVRSOBU-IEBWSBKVSA-N 445.558 4.822 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760433796 VYBJAXKLTUPUOB-PKTZIBPZSA-N 433.604 4.836 30 10 IJEE C=CCCOCCn1c(C2CC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1760449208 DISNWEOSHPYSPR-OAHLLOKOSA-N 431.378 4.634 30 10 IJEE C=CCN(c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1760469657 MEWTZNYRWYVOHG-MRXNPFEDSA-N 437.544 4.759 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@](C)(O)C1CCCCC1 1760482691 NDHMSNHQCRFPID-MHZLTWQESA-N 445.611 4.788 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCC2(C)C)C1 1760547763 RBLCAWPEFZTGFE-OALUTQOASA-N 428.552 4.604 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCCC1 1760559451 HMYJTEIHEGOGTC-UHFFFAOYSA-N 438.439 4.592 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@](C)(OC)C1CC1 1769871805 BYVVIFXGXSQOSV-GOTSBHOMSA-N 443.979 4.552 30 10 IJEE CCOc1ccc(/C=N/NC(=S)NCc2cccc(C(F)(F)F)c2)cc1OCC 1860499259 HFLXTVQHCUUGQE-DHRITJCHSA-N 425.476 4.501 30 10 IJEE O=C(/C=C/c1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 1860728052 UGBAXTIMHBVCRH-DHZHZOJOSA-N 425.238 4.732 30 10 IJEE CCN(CC)Cc1ccc(COC(=O)C(=O)/C=C/c2ccc(Br)cc2F)cc1 1860738927 UHUBFJGPGXBBNX-ZRDIBKRKSA-N 448.332 4.756 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860953802 UCUWNZVCVKHFHH-KRWDZBQOSA-N 436.556 4.531 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)/C=C/c1ccc(OC)cc1OC 1861563787 SNQIIHANEUACDJ-BMRADRMJSA-N 432.605 4.869 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccccc1 1861851951 HUFOWAGDCRSACA-RUZDIDTESA-N 440.584 4.581 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2F)cc1C 1862400438 DVOOJGJKFAMDRG-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2Cl)cc1C 1862402878 JNTMZFGOZFYMGT-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OC)c(O)c1 1862421175 WDLIYVQVAAVTEL-OAQYLSRUSA-N 445.462 4.838 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862522475 JNEBSQDZOHCQGX-LJQANCHMSA-N 444.871 4.635 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862535961 NSAZHIRFTFHXEE-VOIUYBSRSA-N 443.499 5.000 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862556421 WIDVCQBFJNNYEK-QHCPKHFHSA-N 430.479 4.749 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 1862621048 HMTYKJVELAZNQZ-HJPURHCSSA-N 427.456 4.755 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(F)cc2)cc1 1862662705 KRIMTVZZYFEQPU-QHCPKHFHSA-N 438.543 4.869 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc(Br)ccc1F 1862683184 HFVKMEYUERJOAK-KRWDZBQOSA-N 436.252 4.716 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862975218 CLTYRFWURGSDKE-UHFFFAOYSA-N 448.482 4.615 30 10 IJEE COc1cc(Cl)c(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccs2)C1=O 1863112475 FFYSBKPKWHSFNF-UHFFFAOYSA-N 449.919 4.987 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1 1863296807 CHASOSJMTVKONW-MRXNPFEDSA-N 441.462 4.659 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(C(C)C)C1=O 1863519725 NBWGLZSBTPVLFP-UHFFFAOYSA-N 430.589 4.922 30 10 IJEE Cc1ccsc1C(=O)Nc1c(C#N)nnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1870153073 ABGYKFVFJFULMX-UHFFFAOYSA-N 445.348 4.799 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN(CCCC)CCCC 1870708102 UCBOSIWSJDMBNA-UHFFFAOYSA-N 439.600 4.762 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN(CCc1cnc[nH]1)CO2 1871347202 GCCNFOZZDUIXKN-ZBKNUEDVSA-N 439.874 4.521 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c(OC)c1 1871419330 AASOWBWDXPNNEE-MSXFZWOLSA-N 445.471 4.646 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)C(=O)O 1871422759 CGCMSEOXDHEGAU-UKZWNIFTSA-N 444.867 4.845 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(Cl)c3)ccc2C1=O 1871454849 WOIVRDXSWIPPPQ-JJFYIABZSA-N 435.863 4.982 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)OCCOc3ccccc3)c2C)C1=O 1871461777 CNVHXWYLOXJAGH-JLPGSUDCSA-N 444.483 4.921 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccn2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871557389 WZXVFKICMJBOQR-UHFFFAOYSA-N 429.572 4.520 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 1871804563 JVRDCHQCAQMACK-MRXNPFEDSA-N 440.487 4.608 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C)CC)S(=O)(=O)CCC 1871826473 UKWLENPKJJZZBF-MAUKXSAKSA-N 434.524 4.677 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1871866269 DUYVGOXXGQBQJE-QFIPXVFZSA-N 442.487 4.522 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 1872206663 BDZIOLAQWZGQEK-HXUWFJFHSA-N 434.561 4.866 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872441248 LUERTGFIGACDFU-FDDCHVKYSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872517939 DBSPZYPSZJSAHL-OAQYLSRUSA-N 428.598 4.823 30 10 IJEE CC(C)(C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872770785 FHUKEDDYVAXDCC-HNNXBMFYSA-N 435.530 4.756 30 10 IJEE CC[C@H](C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872771383 SVLTVVWUYIPCFA-BLLLJJGKSA-N 435.530 4.756 30 10 IJEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 1872786258 GENNRGOWLOGPCV-UKRRQHHQSA-N 445.972 4.604 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccccc2Br)C1=O 1873253390 DSAJYABJXZFRFQ-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(F)c1 1874209902 WWHGNGSYJGOIJU-LPYMAVHISA-N 431.334 4.931 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874230931 JWXBDSUGENOQNC-FSJBWODESA-N 444.944 4.901 30 10 IJEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccccc1F 1874437012 XUIVQZUKFJKJII-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C2CCCC2)cc1OCC 1874456302 KYJWABQSNVWVAY-JJIBRWJFSA-N 446.617 4.870 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874486793 KTWLFGQVGVGSJP-UFFVCSGVSA-N 429.373 4.810 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)c1 1874493687 ZDRNMTCSCQPTNU-DHRITJCHSA-N 449.580 4.789 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(F)cc1F 1874505253 SITSMMCKJSUVPP-BRJLIKDPSA-N 443.523 4.739 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1c(F)cccc1Cl 1874507044 JASMDNDVEJMLKT-LSHDLFTRSA-N 436.896 4.577 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)N(CC)CC)c(OC)c2)cc1 1874613645 GAANUGMBJCXQST-MDWZMJQESA-N 445.943 4.891 30 10 IJEE CCCCCCCCC[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882520880 CJLGMQFVXZVVMG-SLQAJWMNSA-N 425.591 4.644 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 1922067601 CLILIZMMPMVVFO-SGNDLWITSA-N 448.648 4.676 30 10 IJEE CC(C)(C)OC(=O)N1CC(C#N)(Cc2cccc(Br)c2Br)C1 1960964451 BSHYXMJVCGOXCO-UHFFFAOYSA-N 430.140 4.515 30 10 IJEE C=CC[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1I 1969551100 JGQLXOUUKGFBQT-QMTHXVAHSA-N 434.115 4.528 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@]2(C)C1 2052773464 DJCMYWBGIYDPIB-WQTXXOFMSA-N 448.568 4.853 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1F 2079002557 LBDYUAQDPYHAPH-CYBMUJFWSA-N 449.189 4.825 30 10 IJEE COC(=O)c1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1Br 2079196135 QQHDPEMCXXGUCG-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Br)cc2C#N)cs1 2124692291 JGQHGDWQZICRLA-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC1(C)OB(c2ccc(N[C@H]3CN(Cc4ccccc4)C4(CCCCC4)C3)nc2)OC1(C)C 2241091079 QBONGJSDZRTEGZ-HSZRJFAPSA-N 447.432 4.770 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@@H](O)C#Cc1cccc(Br)c1)Cc1ccccc1 2242572688 ZWNCNCNAIDIXLH-NRFANRHFSA-N 444.369 4.989 30 10 IJEE C=C([C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(F)(F)F 2248456014 LSYPOCPNTFJDDA-IBGZPJMESA-N 442.522 4.927 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Cl)cc(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)c1 2251302156 MFFGGLSOPCZJMM-CMDGGOBGSA-N 436.745 4.604 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@H]43)CCC2)OC1(C)C 2255797687 KDVQYOCFQMNSBJ-DOIPELPJSA-N 425.378 4.503 30 10 IJEE C=CCCC1([C@H](NC)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2281044288 BHLYSNXIFHGJHG-GOSISDBHSA-N 439.394 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@@H](N)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296273566 PMCXTHVIUHKGJN-AVRDEDQJSA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2296290720 GTVCGVPSLNVDDG-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CC=CC1 2296301954 BRZUJJAAZBMHTN-IBGZPJMESA-N 433.390 4.782 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC(C)C)cc2)cc1 2296561944 DOSPTHNIVLAMQZ-QFIPXVFZSA-N 432.476 4.705 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccs2)cc1 2296926580 VGOGAANWEATFLC-GOSISDBHSA-N 440.546 4.846 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@](C)(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2305316136 JSEVJLZCLBDCRA-TYBLODHISA-N 430.589 4.992 30 10 IJEE CC[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2317347574 ZUKYXIITZMQQKY-WMZOPIPTSA-N 432.370 4.797 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3C)c2)cc1OC 2323060730 VFLLIMQJLYPPME-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2323301341 VJLOEUSZGGCHQS-HFZDXXHNSA-N 442.600 4.993 30 10 IJEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1nccs1 2323302164 VAXWNYRKLWXVMF-UHFFFAOYSA-N 436.533 4.991 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1C 2323381176 HPIUICZZJODCFY-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2C(C)C)cc(Br)c1OC(C)C 2323581141 ZNSQRKFPJGWQHW-UHFFFAOYSA-N 427.368 4.564 30 10 IJEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747567 CBLUHKLPLDADQJ-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OC)c1OC 2327942115 YDLPJLGXXBBJJC-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2328075311 RKWBTBKQQLKWOE-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cc(Cl)ccc1O 2328507751 GSRDSENTYUQEFK-UHFFFAOYSA-N 431.905 4.520 30 10 IJEE CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2328575416 CVLMMJLRYYQIBL-UHFFFAOYSA-N 437.613 4.912 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccn2)c1 2328610657 ANRPAYUUWSFCAO-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE COc1cc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)ccc1O 2329740988 BDJDGGVDKOEPRD-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)COCc1ccccc1 2331165377 HBYMTVQZWXOFHT-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1cccc(OCC)c1 2331334793 KXQQZOQQQOQXQK-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1 2331373204 LXCKSXRVICTPIV-UHFFFAOYSA-N 426.517 4.676 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC(=O)C(C)C 2331444218 ZEOYJULNUFGXRQ-UHFFFAOYSA-N 447.281 4.644 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1cccc(F)c1 2331633379 RPMDRMJVSVGMQG-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339584866 HMFJOPLURKLUGE-XZQKKESVSA-N 444.381 4.798 30 10 IJEE C=C([C@@H](OCCCN)c1sc(Cl)cc1I)C(F)(F)F 2340977324 DSCRXWGATUCDRN-SECBINFHSA-N 425.641 4.531 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2360196283 NFSKRWSEWUORJE-UFYCRDLUSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@H](O)C#Cc1ccc(Br)cc1 2363484568 UEEXPLFBMUTXEK-RBUKOAKNSA-N 436.390 4.977 30 10 IJEE COc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 13319868 VRYNESHSSVWTNJ-QHCPKHFHSA-N 431.536 4.641 30 10 IJEE COc1cc(/C=C/C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)ccc1OCC#N 21832074 RAOHVWUOKCBHOK-ACCUITESSA-N 438.487 4.873 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4ccncc4)cc(C)c3C1=O)cn2C 41294143 UMDIDPXBWQBROP-KSEXSDGBSA-N 440.455 4.726 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(Cc1cccnc1)CO2 41589014 QPLFYOSRXIBAAE-MYKKPKGFSA-N 437.499 4.850 30 10 IJEE C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1OC 96557006 BVXPAIYPDVNWDM-DHDCSXOGSA-N 446.887 4.724 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Br)cc2)cc1 102626930 GQWYFYDUNGREQR-GOBJLOIFSA-N 449.304 4.779 30 10 IJEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929676 FWTCKNNTXDCPJN-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(C)c2)cc1 169969097 CGWPVINTFDNTBZ-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169971049 IWGUYWMEFAEEBJ-DEOSSOPVSA-N 441.483 4.727 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@@H]3c3ccncc3)nc2c1 170027235 DDCYMICHYOXYKX-FQEVSTJZSA-N 444.878 4.703 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)c(Cl)c1)c1c[nH]c2ccccc12 170041222 WSLNGMSXMNJTMU-OAQYLSRUSA-N 448.862 4.898 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170140924 VFPOACMPEFHZRA-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccs2)c(C)c1 170159853 AZEMVHBQZBCSGA-NRFANRHFSA-N 435.501 4.857 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)c1 170169720 RETLDSKUEBXMMU-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)c1 170176309 HBBAFRLYUXQAPY-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccncc1 170211713 VTIHXJGWZBELKW-QHCPKHFHSA-N 430.504 4.628 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)c(C)c1 170256696 DZHWTNIBMHQGCL-NRFANRHFSA-N 435.501 4.549 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccco2)c1 170289093 FYDOIVVMCGTCKL-HXUWFJFHSA-N 439.851 4.739 30 10 IJEE Cc1ccc(C(=O)CCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1C 170509523 WUGALLPNGGKVFW-UHFFFAOYSA-N 437.503 4.819 30 10 IJEE Cc1ccc(Cn2nc(C)c(/C=C\C(=O)N(CCC#N)Cc3cccnc3)c2Cl)cc1 214992543 CZDSMNUSQPDTRV-KHPPLWFESA-N 433.943 4.552 30 10 IJEE CCc1nc2ccccc2n1C1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 301949340 CPAWEUVGCAIZOH-UHFFFAOYSA-N 426.480 4.768 30 10 IJEE Cn1cc([C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C(F)(F)F)cn1 446306739 CESAAUVODNTAGX-GOSISDBHSA-N 433.365 4.648 30 10 IJEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1CC(C)(C)C 460544922 MWBWBKYCRVUEDD-GOSISDBHSA-N 444.649 4.528 30 10 IJEE CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)o1 464896784 OOSOKLQSQGZXHF-LAUBAEHRSA-N 428.554 4.533 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 475557336 AAIBPQFKVIKRMV-OAQYLSRUSA-N 437.584 4.952 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](c2ccsc2)C1 516318455 KMUWRQGCVMAFRQ-LJQANCHMSA-N 442.610 4.795 30 10 IJEE O=C(Nc1cc(F)ccc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccoc1 522692631 QUMGSFAVWYMSJT-UHFFFAOYSA-N 438.299 4.628 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc1[N+](=O)[O-] 526799929 SLAJLTWQLAWEPW-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Br)ccc1O 526802315 CVTPKXUSXIPLSH-FBHDLOMBSA-N 435.322 4.622 30 10 IJEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)c1O 526816830 DLHSZYCBZBGHPA-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c1 535665231 FVRKXMZOPIOKQM-UHFFFAOYSA-N 438.936 4.852 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2cccs2)C1 549271401 IAGMLDCTYURNAS-SFHVURJKSA-N 430.961 4.823 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(Cn2cccn2)CC1 549272750 MEEHUCVWKJZHBI-SFHVURJKSA-N 440.979 4.761 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 549560209 GMBWVGXMGABRLB-LJQANCHMSA-N 433.531 4.930 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 585825417 HMVCBNPCGBPEKM-BKFLSKFWSA-N 425.960 4.988 30 10 IJEE C#CCCCCC[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 686707292 DDUKHAXDUAQHGD-ZEQKJWHPSA-N 427.633 4.718 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@@H](c4ccccc4)CS3)COC2)cc1 705693262 XYAFAHABPSJLDQ-RUZDIDTESA-N 443.616 4.892 30 10 IJEE COc1ccc(Br)c(CC2(C=O)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 712782843 PGBZRPBHWGPJEY-GWTOYCKXSA-N 438.362 4.747 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 743670031 GDQVYTYVELRYEO-JOCHJYFZSA-N 436.556 4.746 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764751776 NUELZQGDWSIBAG-ZDUSSCGKSA-N 445.306 4.665 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(OCc3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 790837631 CNLGQHAYVZUVCB-VWLOTQADSA-N 446.563 4.679 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](c2ccccc2C)C[C@H]1C 809889833 MVMGMGXUGQLFTP-IFMALSPDSA-N 445.567 4.581 30 10 IJEE CCN(C)C(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084069964 VLQVGPFGKYDVQY-OAHLLOKOSA-N 432.553 4.516 30 10 IJEE Cc1cc(C)c(N/C(=N/[C@H]2CCCC[C@@H]2N)N2CCN(C3CCCCC3)CC2)c(C)c1 1088653060 JBPSBXXQYSBFJP-ZEQRLZLVSA-N 425.665 4.600 30 10 IJEE C=CCc1cc(CNC(=O)C/C=C/c2ccc(Br)cc2)cc(OC)c1OC 1125478411 ITGIOKMANXLABK-FNORWQNLSA-N 430.342 4.915 30 10 IJEE C#CCN(C(=O)[C@H]1Cc2ccc(C)cc2S1)[C@H]1CCOc2ccc(Br)cc21 1126229949 UINZNBONZFPEMO-GHTZIAJQSA-N 442.378 4.760 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3cccc(Br)c3C2)CCCN1C(=O)OC(C)(C)C 1127093015 CYEUAEOEOUYDRX-QFIPXVFZSA-N 449.389 4.680 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl 1137416712 OKJZDFUOHPXODT-SKDZVZGDSA-N 445.387 4.781 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccco2)nc2ccccn12 1137730852 VPRKCHBHLDJQIV-CQSZACIVSA-N 430.892 4.569 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Sc1nccn1C 1142716540 CXYUENLBDZCDLN-OAHLLOKOSA-N 436.965 4.546 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)CC2)cc1 1167463822 BPTBCBXKYGVTDO-RRPNLBNLSA-N 429.608 4.938 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(Cc3nc(C)no3)cc2)cc1OC 1179696251 RSABZSWBMPJYIO-UHFFFAOYSA-N 444.329 4.917 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 1186116737 LXUKBLSYCGWXDS-UHFFFAOYSA-N 430.957 4.767 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N(C)Cc3ccc(Br)cc3F)c2c1 1187241911 CBTMFKZODXARKR-UHFFFAOYSA-N 430.277 4.662 30 10 IJEE CC1CCN(C[C@H]2CCCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)CC1 1190650317 AZWDOUWBIMYWFI-VQTJNVASSA-N 442.673 4.660 30 10 IJEE CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CC=C(c2ccc(C#N)cc2)CC1 1192946279 IFSVZWGGYBSMRH-OAQYLSRUSA-N 443.316 4.853 30 10 IJEE COC(=O)c1cnc(C2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)s1 1200275072 BFOHPNJHQSGRCO-AWEZNQCLSA-N 444.582 4.593 30 10 IJEE CC[C@@H](Cc1ccccc1Br)NC1CCN(Cc2ccc(C#N)cc2)CC1 1201379758 HLUSBBQGJJBPKR-NRFANRHFSA-N 426.402 4.896 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2cc(F)cc(C#N)c2)c2ccc(OC)cc2OC)cc1 1208345905 FNUKPSWWSRDWAT-QHCPKHFHSA-N 435.455 4.634 30 10 IJEE C=CCCSCCNC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1 1252773198 XCDMCMCCIKXMQF-UHFFFAOYSA-N 425.392 4.585 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1 1254755175 POHLENIMOORNGA-XMMPIXPASA-N 444.579 4.662 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 1274372906 AKEDALMDBKJJAH-UHFFFAOYSA-N 435.203 4.778 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1275698756 JQAATWCJPLWPNP-PKTZIBPZSA-N 436.621 4.803 30 10 IJEE CC(=O)NCc1ccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1 1277202358 GQSVUPCONKYUIN-UHFFFAOYSA-N 436.327 4.864 30 10 IJEE C=CCC(CC=C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1278820317 UDYWGTDGELKABI-VXKWHMMOSA-N 428.573 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CCOC)CC1 1286277410 CPQQYLDELVAWTL-OALUTQOASA-N 445.007 4.963 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286317235 PSRVMKJREIHQMG-OAQYLSRUSA-N 447.627 4.541 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1286328103 NEKHBWMXDSNSQS-LJQANCHMSA-N 425.646 4.999 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCO[C@H]1C(=C)C 1286368670 OXMDZJSWIBZSER-AVRDEDQJSA-N 436.556 4.863 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@H](F)C1 1286439428 WEKGHEGNGCVINR-ZFWWWQNUSA-N 439.760 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1csc([C@H](C)OC)n1 1286528303 VYFKWVLCGXRPRG-UQBPGWFLSA-N 449.624 4.658 30 10 IJEE C=C(Br)Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(Cl)cc1Cl 1286547223 FKEWMTZZNXMMPQ-UHFFFAOYSA-N 428.121 4.638 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H](OCC)C2)nnc1C1(c2ccccc2)CCC1 1286547606 IXDPTPVNHHEJGC-IBGZPJMESA-N 445.405 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1286551191 LAFLGCPEEGHNPX-ITSWEJNFSA-N 443.954 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](OC)C(C)(C)C1 1286554852 ZLYZMQZLNMUDNI-YSGRDPCXSA-N 448.970 4.580 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(Cc1ccccc1OC)C[C@H]1CCCO1 1286628671 DVRWNPLKIYULCO-LJQANCHMSA-N 432.996 4.813 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(-n2ccnc2C)nc1 1286753524 FMZNEENFUJUITF-UHFFFAOYSA-N 445.958 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC(O)(CC)CC 1286755927 MSTODMROAGMIDH-UHFFFAOYSA-N 437.357 4.576 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC(F)(F)Br 1286758278 IHBSQHPBNXDXBX-UHFFFAOYSA-N 431.712 4.688 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC2(CCCCCC2)C1 1286771758 OSHPNVPHMFKZGH-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H](C)C1 1286836599 OKKVAPZDQUPIKN-QRVBRYPASA-N 449.665 4.752 30 10 IJEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(C)(C)c1cccs1 1287494080 HVDBVGKSYQEBPI-NRFANRHFSA-N 449.624 4.965 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)C1 1287978695 DDXWSTTVOQBNOW-YADARESESA-N 441.023 4.849 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 1290331503 JKUDPUBSBDEFCD-FQEVSTJZSA-N 435.996 4.671 30 10 IJEE CCOC1CC(CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)C1 1296909237 AABKMUVYPCGNIQ-KXXGJQBSSA-N 427.980 4.934 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C)C(=O)OCC 1298019727 AVAFTHJEZQAYDP-JOCHJYFZSA-N 436.508 4.651 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c1 1299139712 IAKKNQABPJMQJZ-RBBKRZOGSA-N 445.519 4.714 30 10 IJEE CO[C@H](Cn1c(C2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C 1299676243 BVAMHHVAPHKVLT-HSZRJFAPSA-N 437.588 4.526 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1300476155 YHFWKJZDRVJVKK-HOCLYGCPSA-N 426.870 4.874 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nc(C(C)C)cs1 1300513081 QZLJPHQJFAQTMI-UHFFFAOYSA-N 440.576 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](C)C1 1300897494 SDBFUTDFWNRXAD-JQVVWYNYSA-N 444.670 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)c1ccccn1 1300905954 HHSKPWXPMYAGCK-UHFFFAOYSA-N 435.572 4.738 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCCCN2CCCCC2)CC1 1301095424 HGMJOTNMTWEWDV-UHFFFAOYSA-N 441.595 4.809 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCN2CCCC2)CC1 1301106970 ZDGCQGSPDINHAP-LJQANCHMSA-N 444.023 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1301150551 WZXGHWQFJBKZNA-OAQYLSRUSA-N 448.571 4.696 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C#N)CC1 1301176293 WALMSLDTFOLXLP-UHFFFAOYSA-N 444.377 4.812 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301212509 XGLLBJGZKZRHDV-LJQANCHMSA-N 448.571 4.563 30 10 IJEE C=CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCSCC(F)(F)F)C1CC1 1301330205 UZIZDYZTFHNMIV-UHFFFAOYSA-N 435.519 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1 1301363046 NDHQPRKNNBLMFZ-YADARESESA-N 444.645 4.758 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(N(C)C)CCC1 1301374897 GNEPMUVVSLLNQV-SFHVURJKSA-N 425.646 4.794 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@H](F)C1 1301414586 FUEBVHYXJXSLFB-SCTDSRPQSA-N 432.609 4.908 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CC=CCC1 1301611848 SBEWYRZHGJOVSN-WIYYLYMNSA-N 426.586 4.502 30 10 IJEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CC1 1305098404 FFBXPNGDLKAQHX-UHFFFAOYSA-N 429.515 4.791 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1 1307877199 GODBCRHQWSNQMY-MRXNPFEDSA-N 429.383 4.884 30 10 IJEE C#CCOc1ccc(F)cc1NCc1cc(Br)cc(Br)c1OC 1308293397 SYQMJWKVWUEQFK-UHFFFAOYSA-N 443.110 4.983 30 10 IJEE C=C(C)[C@@H](NCc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1308377099 UYIDKVYKSQGSIQ-DYESRHJHSA-N 447.530 4.535 30 10 IJEE CSc1cccc([C@@H](NS(=O)(=O)c2ccccc2CC#N)c2ccc(F)c(F)c2)c1 1309252880 FRLVCLMVTVEKGN-JOCHJYFZSA-N 444.528 4.821 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1 1309459830 IENAARAIALSILS-KRWDZBQOSA-N 425.381 4.669 30 10 IJEE CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(c2ccsc2C#N)CC1 1312187999 ARLWQOSUYULCHY-LJQANCHMSA-N 426.586 4.637 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H]1CCCCO1 1315331922 FFCHXEPUDLXHHT-JPYJTQIMSA-N 443.979 4.696 30 10 IJEE C=CCN(C(=O)[C@@H](C)OCc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352764558 UNPLAYZZMRLEMZ-OAHLLOKOSA-N 441.484 4.982 30 10 IJEE C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc(COc2ccccc2C#N)c1 1352785445 GGBDPOWDRYSHSZ-SFHVURJKSA-N 428.488 4.617 30 10 IJEE O=C(N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)c1c(F)cccc1F 1353991837 DYFXYTYJIBGMHL-UHFFFAOYSA-N 448.382 4.810 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccccc2Br)cc1OC 1356058050 IOKGCXQPDMEZIF-TYZQSYOASA-N 430.342 4.783 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(C)OC(C)(C)C1 1358923989 ISTVLEKNTRDNPO-UHFFFAOYSA-N 449.368 4.654 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359118870 ITRVEQINRXAGLC-HNAYVOBHSA-N 431.378 4.596 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCN2CCC)CC1 1359159164 ORTFZYCSQOTREM-RBBKRZOGSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359161570 IWINLHQUZFOBRO-FGZHOGPDSA-N 432.616 4.731 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1359179166 NPVFSGOLTPQDRB-UHFFFAOYSA-N 433.604 4.515 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nccc(C(F)F)n1 1359234650 VSBLEXRBSIMQCZ-ZDUSSCGKSA-N 430.528 4.530 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1 1359254990 KLYSQZVLXQAGJR-IFMALSPDSA-N 442.629 4.659 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1Cc1ccsc1 1359255254 SOYYNLXLGVRDMS-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCS2)C1 1359325464 FZYJAWPDWMFBSY-QUCCMNQESA-N 430.643 4.556 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCCCC2)C1 1359339225 XOBWEWYLQXMOGW-UHFFFAOYSA-N 439.654 4.992 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cc(C)ccc2Br)CCCN1C(=O)OC(C)(C)C 1436824781 UYBCTZBEJCYIQU-NRFANRHFSA-N 437.378 4.720 30 10 IJEE C#CCOc1cccc(OC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)c1 1456135824 QVOTZMFUBZCZFE-IBGZPJMESA-N 444.915 4.617 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 1456890998 AEYUZHONYTXWCH-DEXQXJORSA-N 437.348 4.586 30 10 IJEE CCc1nc(C(=O)N[C@@H](CCC#N)c2ccccc2)nn1-c1c(Cl)cccc1Cl 1458142398 CCTINNTUNZKBNZ-KRWDZBQOSA-N 428.323 4.911 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNCc2cn(-c3cccc(Br)c3)nc2C)c1 1461217260 CRDVWQOZFNZGNS-OAQYLSRUSA-N 439.357 4.914 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)[C@@H](O)c3cccc(Br)c3)c2)c1 1464186781 CYCVWTVYJPBWGP-NRFANRHFSA-N 437.293 4.572 30 10 IJEE C[C@@]1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC(c2ccccc2)=NO1 1464748101 BRTKDYPPFLFDID-VWLOTQADSA-N 429.451 4.798 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)C(C)C 1464872133 RHIGCNZBCQIKBJ-QFIPXVFZSA-N 437.632 4.801 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CCCC1(C)C 1465317941 SRKWRWYFURNJEX-LJQANCHMSA-N 436.394 4.884 30 10 IJEE C#CCOc1cccc(NC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)c1 1465628755 VQYOEHOMOCMDOU-IBGZPJMESA-N 431.355 4.860 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)c3ccc(Br)cc3OC)cc21 1467381259 DPHREZXMYJGJER-CYBMUJFWSA-N 429.318 4.876 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1ccc(F)cc1 1470657014 KNCBRHUXVUGUCV-RUZDIDTESA-N 432.495 4.929 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21 1471077499 MIYPFALLNLADPQ-PWRODBHTSA-N 427.342 4.807 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1ccc(OCC(F)(F)F)nc1 1472998182 FVQGBJZWAOCOIB-UHFFFAOYSA-N 436.459 4.672 30 10 IJEE CCCOc1ccc(O[C@@H]2CCCC[C@H]2N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1473397139 HOICAMLNRMWDHN-UODIDJSMSA-N 447.579 4.822 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)C1 1478360005 XOCGWTAEBPSIOT-CYBMUJFWSA-N 435.284 4.844 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1OC)c1ccc(Cl)cc1F 1478447133 FHDIRHVQIYZMKY-GTNSWQLSSA-N 439.712 4.985 30 10 IJEE CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1501699327 COLDHCQNIDYQJL-UHFFFAOYSA-N 443.599 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC=CCC1 1507793497 ASYAREQMYDLJOH-BEFAXECRSA-N 447.352 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C)=C(Br)C1 1507798273 NMSZQIZZPHKZJX-APWZRJJASA-N 437.426 4.727 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507837731 FBVHRMNZQDWOLY-MRXNPFEDSA-N 428.886 4.970 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507952140 MYFFNECYJDOWME-QHCPKHFHSA-N 437.632 4.752 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C(C)C)C1 1507959553 QSHOPXUGUTWSAP-AZUAARDMSA-N 444.645 4.585 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1507967147 CFSPDYOLECNAHH-VQTJNVASSA-N 429.584 4.547 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[C@H](O)C1 1508027983 QECFUDMOBCRGAI-MOPGFXCFSA-N 440.975 4.978 30 10 IJEE CC(C)(C)c1cc(NC(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)c(C#N)s1 1520662704 AALQVBYYDKWWIT-NSHDSACASA-N 432.343 4.744 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1csc(Cc2ccc(C)cc2)n1 1523502433 MTMAZAAPADNIGN-UHFFFAOYSA-N 437.517 4.785 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)c(OC)c1 1523676829 NAQZEEUOATVUFJ-JOCHJYFZSA-N 448.332 4.972 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1525767007 GOXDITPCPHZFMF-YADHBBJMSA-N 425.573 4.916 30 10 IJEE C=CCCCCCCCCNC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1527714487 VDXMOLSNDMTGKD-NRFANRHFSA-N 431.646 4.971 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cccc(Br)c1F 1532513609 LZUYZUWIKXJNPX-CQSZACIVSA-N 428.302 4.504 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)C(F)(F)F)cc1 1532559192 QKGKVKYVIKPCSR-HXUWFJFHSA-N 449.425 4.852 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1535468348 PIQRCYOLFRKNKV-ZAAXVRCTSA-N 435.738 4.657 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1539058604 GBOODAUHQOZESF-RTBURBONSA-N 442.629 4.875 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1539059060 AMOCAPSFJWLKQU-UHFFFAOYSA-N 449.502 4.869 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC=C(COC)CC1 1539086824 NERHUIDVLWBOOR-UHFFFAOYSA-N 431.005 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OCCC)CC1 1539648089 ZESRSGPZGRPBPP-FUDKSRODSA-N 444.645 4.697 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCOc1ccccc1C 1539785830 DRAMGDCXVASQJW-UHFFFAOYSA-N 432.355 4.960 30 10 IJEE C=CCn1c(N2CC[C@@H](c3ccccc3)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861054 ZUASQARPUAANQL-MJUUVYJYSA-N 437.588 4.617 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCC[C@@H](C)C1 1541106959 DDUYDLOXJUXFQT-CVEARBPZSA-N 435.403 4.580 30 10 IJEE CC(C)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCSC1)C1CC1 1541512247 CPYMOZXYFOSJSA-HXUWFJFHSA-N 439.629 4.887 30 10 IJEE C[C@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)C1 1543765565 HRFJNQHVKGLKBJ-IRXDYDNUSA-N 436.947 4.569 30 10 IJEE C=CCCC[C@@H](C)NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1546145368 JPHBNHUIZLWURP-GDBMZVCRSA-N 428.495 4.791 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(Br)c3ccccc3c2)c1 1558412347 BVVACEMOTMBJGF-UHFFFAOYSA-N 442.334 4.652 30 10 IJEE C=CCN(CCOC)CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 1559802978 RGSNLQFRKMRGEW-UHFFFAOYSA-N 435.387 4.673 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 1561011223 DXTBZXDIOHLCAS-WBVHZDCISA-N 446.897 4.630 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3cccc(Br)c3)CCCCC2)c(F)c1 1561673179 BEUUZXMRSSRVMM-UHFFFAOYSA-N 437.334 4.598 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 1562235533 HZUZPMZRYHLGMY-XMMPIXPASA-N 434.584 4.511 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F)[C@H]1CCCc2ccccc21 1562349885 UUWAKRIQBUBETC-IBGZPJMESA-N 428.435 4.619 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 1562795064 PQTVCQPJMNCPLE-MRXNPFEDSA-N 431.508 4.699 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(Br)c(F)c1F 1565167699 GECPLHSDJSAQJG-UHFFFAOYSA-N 425.273 4.947 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 1566364659 XOQQKHQNQQKWDL-IBGZPJMESA-N 438.490 4.718 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CC)[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1OC 1583057238 OJUVVQQIGJWGRT-NFRVRCPLSA-N 434.580 4.957 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 1583506843 YPUGKIPNPKMRRA-CQSZACIVSA-N 447.304 4.535 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 1584792300 HICHKLMRLSQFDH-UHFFFAOYSA-N 438.531 4.857 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1Cc1ccnc(OC2CCCCC2)c1 1587604218 TZAZYQFWZNPUKD-HXUWFJFHSA-N 429.568 4.866 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1587759078 NREFHOHQESTWNK-CAOCKLPOSA-N 449.643 4.813 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1589559480 RTQOGGKAGNGSOQ-GMAHTHKFSA-N 438.620 4.542 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC(C)C)CC1 1594202323 LUSJQOBNFFPQNG-UHFFFAOYSA-N 436.398 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1594484226 OVIFNEVLKUSGSO-QGZVFWFLSA-N 438.963 4.649 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1nncn1C 1594680455 SEWCVHTXQNBYBN-VQIMIIECSA-N 441.967 4.508 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(C(=O)OCC)ccc1I)c1ccccc1 1597325688 ATOMSLVMSQKAAK-CQSZACIVSA-N 449.288 4.766 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 1597602329 VHLGMJFVEVVETA-QFIPXVFZSA-N 449.551 4.705 30 10 IJEE N#Cc1ccc(CN2CCO[C@@H](c3ccc(Br)cc3)C2)c(Br)c1 1615244923 FHUPFUFWTFIIHU-GOSISDBHSA-N 436.147 4.657 30 10 IJEE N#CC(CCN[C@H](CO)c1cccc(Br)c1)(c1ccccc1)c1ccccc1 1617153717 DDICAXKAWTVFGQ-HSZRJFAPSA-N 435.365 4.972 30 10 IJEE C=CCc1cc(CNc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc(OC)c1O 1621053023 YOIWZIVSAFAMCB-UHFFFAOYSA-N 432.446 4.708 30 10 IJEE C=CC(C)(C)NCc1ccc(OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OCC)c1 1621098990 IUVBEUWUNJLLIJ-IBVKSMDESA-N 428.617 4.946 30 10 IJEE C#CCN(Cc1nc(Br)cs1)[C@H]1CCOc2ccc(Br)cc21 1621193554 LBQKRHOZLMUNDB-ZDUSSCGKSA-N 442.176 4.627 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 1622418477 JIHYQZHHULHSTD-KRWDZBQOSA-N 435.499 4.856 30 10 IJEE C#CC1CCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)CC1 1622701072 DGXZHJFNQDCCPN-UHFFFAOYSA-N 433.405 4.974 30 10 IJEE C=CCn1c(SCC(=O)N2CC(F)(F)CC[C@@H]2C)nnc1-c1ccc(Cl)cc1 1623427155 IWDXMWUQLBWZGN-ZDUSSCGKSA-N 426.920 4.523 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc(C2CCCCC2)cs1 1632597975 SDTURDWWBBUYSU-MRXNPFEDSA-N 442.025 4.885 30 10 IJEE C=CC1(CC(=O)NCC2(c3ccc(F)cc3F)CCCC2)CN(C(=O)OC(C)(C)C)C1 1634433723 RGQMDKQLKAFXJF-UHFFFAOYSA-N 434.527 4.706 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1637561691 MUAOJDPWGYHWBC-FZOAFFARSA-N 436.637 4.927 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 1639005537 GPCCNZHENSURKO-HXUWFJFHSA-N 436.543 4.996 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)C2CCOCC2)nc2scc(-c3cccs3)c2c1=O 1640613775 HEGSTZXVLKDWGF-CYBMUJFWSA-N 446.619 4.849 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C(=O)NC1CCCCCC1)C(C)C 1640963334 AYECDJFTZQLQRW-JOCHJYFZSA-N 442.629 4.999 30 10 IJEE CC1CCC(N(C(=O)Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)C2CC2)CC1 1641232786 DDBHPYVKVCYJNK-UHFFFAOYSA-N 429.973 4.672 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)C(C)C 1643753112 IVEULENITWXZSI-DWLFOUALSA-N 442.629 4.855 30 10 IJEE CCc1csc(CC2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)n1 1644116427 HUIFPSVGMVZHLV-UHFFFAOYSA-N 435.549 4.844 30 10 IJEE C=CC[C@H]1N(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2)CCCC1(C)C 1645453003 CDOLCCXQEBZZLF-TZIWHRDSSA-N 445.991 4.578 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3c(F)c(F)c(Br)c(F)c3F)cc21 1645806944 MRLPQTFYBPTYEG-UHFFFAOYSA-N 428.183 4.794 30 10 IJEE C=CCn1c(SCC(=O)OCc2ccccc2)nc2sc3c(c2c1=O)CCCCC3 1652358307 UHWNBRWWUKZVBT-UHFFFAOYSA-N 440.590 4.748 30 10 IJEE C=CCn1c(SCc2cc(OC)ncc2Br)nnc1-c1cccc(C)c1 1652408646 AAWKQYUIFJWIQQ-UHFFFAOYSA-N 431.359 4.898 30 10 IJEE C=CCCCS(=O)(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1653829166 ACFVBMFBZFWBJD-UHFFFAOYSA-N 429.973 4.621 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC1(c2ccc(OC)c(OC)c2)CCCCC1 1659604847 WJFSVPMPLUOWHP-UHFFFAOYSA-N 440.515 4.879 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNCc1c(Br)cc(F)c(F)c1N1CCCCC1 1659628808 MNXMZNWAOKEAOD-VBKZILBWSA-N 429.349 4.788 30 10 IJEE C=CCCC[C@@H](NC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 1659921410 QCTOXBYHGQYPFN-XMMPIXPASA-N 428.598 4.536 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccccc2O[C@H](C)C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1660122627 CAYHDIGALQTDCP-SIFCLUCFSA-N 433.430 4.990 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc(F)c2F)c1 1661060497 HLFDBMMEGBCZRK-UHFFFAOYSA-N 430.428 4.528 30 10 IJEE C=CCOc1c(Br)cc(CNCC[C@H]2COc3ccccc3O2)cc1OCC 1662682346 YPGRCADCMYISHR-KRWDZBQOSA-N 448.357 4.732 30 10 IJEE CC(C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(=O)NCC1CCCC1 1666028600 HFVFHTATBURUFR-UHFFFAOYSA-N 448.567 4.538 30 10 IJEE COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 1669353672 BANNXIYRUAGAON-IBGZPJMESA-N 449.429 4.679 30 10 IJEE C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1670159062 BGYQEJHGMDSSCY-SFHVURJKSA-N 446.530 4.579 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 1670845987 WAVBJUCPHCCYHG-HZPDHXFCSA-N 436.394 4.788 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 1672708569 QFEQBRCTDAZLFW-SWLSCSKDSA-N 437.256 4.635 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(I)c(C)c1C 1673125842 VHHSSFGHMKLUQJ-UHFFFAOYSA-N 438.240 4.703 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 1673582336 XBCFFKYYFVELEJ-MZYLBHOOSA-N 427.589 4.606 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)c1 1674221702 TVJLAKVYTCMZJU-UHFFFAOYSA-N 447.457 4.537 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C 1676601805 OQXDIHWKYFFAKD-NRFANRHFSA-N 431.577 4.886 30 10 IJEE C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(Br)cc1 1682357276 WHDUEWSTUZAFOV-CNNODRBYSA-N 439.353 4.907 30 10 IJEE C#C[C@H](NC(=O)NCCc1cccc(OCC(F)(F)F)c1)c1ccc(Cl)cc1F 1686226524 WIESEQLGPUEOKI-SFHVURJKSA-N 428.813 4.636 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(CC)s1 1690043192 SMQSNMXEKLIBOZ-UHFFFAOYSA-N 427.577 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1C[C@H](C(CC)CC)N(C)C 1690200253 PREIETLKYCTGHE-YIXXDRMTSA-N 444.627 4.852 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCSC[C@H]1C 1690304405 ALEQAINHPRJDCZ-DLBZAZTESA-N 432.659 4.666 30 10 IJEE C=CCCCCn1c(N2CC[C@H](C3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690468096 RHAYNYJAPXHFPV-SLFFLAALSA-N 429.609 4.641 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1690480479 KEILRONAFNIMOC-UXHICEINSA-N 448.615 4.914 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690496128 KWCJVPAQHLYKFB-VNTMZGSJSA-N 429.609 4.784 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1690550113 PGPUNNOTUCXIIV-UHFFFAOYSA-N 443.473 4.782 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC[C@@H](C)N1CCCCC1 1690563291 MOTQKGZALLLKCT-JOCHJYFZSA-N 432.616 4.741 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC(F)(F)Br 1690602345 NEBDQSIIZWVGAQ-UHFFFAOYSA-N 448.315 4.563 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1690738337 JYATXPRLRFPWRR-VQTJNVASSA-N 442.629 4.516 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1 1692842204 BFSBNAFXSLWFHQ-AOJNWGRGSA-N 446.599 4.788 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NCCCC)CC1 1705513128 BAYGFUTUVVFVLQ-UHFFFAOYSA-N 442.007 4.535 30 10 IJEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCCCCC1 1705515290 ZPAPRQAOHDFYMB-UHFFFAOYSA-N 446.599 4.639 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1705558215 NNFYUBGRTSBLES-FXAWDEMLSA-N 433.021 4.889 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCc1c(C)noc1C 1705621225 WHIIAIQRXBABQV-UHFFFAOYSA-N 449.555 4.557 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCCC2(C)C)CC1 1705633066 IMRPYXXBQUCBAP-DHIUTWEWSA-N 449.643 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCC[C@@H]1C 1705714002 ALYJGHMWGWHJBN-QFIPXVFZSA-N 447.631 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)c1c(C)noc1C 1705716393 JPQDYDRPBSDHSU-HRAATJIYSA-N 437.544 4.602 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1705765086 XWBHWTXTEAAEFY-UHFFFAOYSA-N 443.473 4.767 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1705785153 XTXKBTBPTXJACI-AUSIDOKSSA-N 438.616 4.982 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1705815363 UDNBYMAGULVCEN-UXHICEINSA-N 440.588 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)N1CCC(C)CC1 1705873925 ZRJQUERSGQJUJP-OAQYLSRUSA-N 446.599 4.899 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCSC1 1705879886 OHESIPMFUFAGTH-SFHVURJKSA-N 443.642 4.605 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705887043 KEWIAMJCGFYWLV-IFMALSPDSA-N 436.556 5.000 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2ccc(C)cc2)C1 1705921762 YTEAAOQQIAPRLN-NQIIRXRSSA-N 437.975 4.887 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC2(F)CCC2)C1 1705929547 SOHVURWYJATOTK-FQEVSTJZSA-N 428.552 4.538 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1705946506 JNIBTPGHXTZUFC-UHFFFAOYSA-N 449.958 4.751 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC1=CCCCC1 1722392584 IVDMYDJRQXMHJM-UHFFFAOYSA-N 441.348 4.810 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1722520662 DKPPQHBBZUEIFP-FQEVSTJZSA-N 448.571 4.769 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1722539894 CNQJSBSIRKKVHW-UHFFFAOYSA-N 431.584 4.761 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1722593289 MPOWYSNSCZRBBY-UHFFFAOYSA-N 449.643 4.798 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C1CCCCC1)N(C)C 1722643343 JZZIEGJNBKUFQR-QHCPKHFHSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1C[C@H]1CCC2(C1)OCCO2 1722658264 CENHSXTZWMZRLM-OALUTQOASA-N 428.552 4.667 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC(F)F)cc1 1722730884 GMHZLDWQITZGCC-TZIWHRDSSA-N 448.558 4.901 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1)c1cccnc1 1723108589 BAJLWNJFMYNANX-DNQXCXABSA-N 444.583 4.657 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCO[C@H](C)C1 1729998010 GCSVULCWARSFSK-SEPYTNNBSA-N 443.979 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(O)CCCCCC1 1740538387 GKTSJMQVXIRLQF-ZWKOTPCHSA-N 426.630 4.675 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1 1740756137 NRZUNCTYCKAAGS-YLJYHZDGSA-N 427.936 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](CC)C1 1740764161 UVKXJEOKZRHEMG-XTJBDQBJSA-N 438.616 4.680 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740778893 GJANTNPMJJQOKJ-QGZVFWFLSA-N 430.478 4.632 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740794146 QPTKOFKBKHRNNZ-NRFANRHFSA-N 430.543 4.642 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1740918496 QCLRZJDSYUWFBB-FQEVSTJZSA-N 449.565 4.944 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)c2nc(C)cs2)C1 1740974617 GQOQVBHIHPDYEZ-UTKZUKDTSA-N 437.613 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1nc(C)c(C)s1 1748688080 XTMOVIXMHSKLMJ-AWEZNQCLSA-N 446.045 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCC(F)(F)CC1 1748863883 JWDWKCUAIGLOKQ-GOSISDBHSA-N 444.501 4.846 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1748907169 GTRFFYPUNJGRND-FCGDIQPGSA-N 430.980 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749131663 UCBIIGKNLMHBEJ-ZJOUEHCJSA-N 429.634 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC1(c2cccc(F)c2)CC1 1749163936 UIQZOGJIGLGKLK-UHFFFAOYSA-N 425.577 4.907 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1749181803 TVOJSRJTDMBYAO-PKOBYXMFSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H]1CCOC1 1749391504 SZLAEEYFGKUVOQ-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](CC)C1 1749391686 ZMKZCGMGWXROOH-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](Cc1ccccc1)OC)C1CC1 1749527642 LQLZVFJREAJENX-YTFSRNRJSA-N 438.616 4.609 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC=CCC1 1749529242 ADFLFWVJFRNMTP-OAQYLSRUSA-N 429.568 4.821 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC=CCO1 1749563488 IXSMZLAAPHTHBU-SFHVURJKSA-N 429.362 4.540 30 10 IJEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCCC2)C1 1750799496 FHTBZQODDIQSGA-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@](F)(C#N)C1 1760130096 DBOXCLYJZVZFTC-RUZDIDTESA-N 430.531 4.598 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC(C)(C)c1cccc(OC)c1 1760293323 RPZBWGHZBPYYGQ-AREMUKBSSA-N 429.568 4.627 30 10 IJEE C=C(Br)Cn1c(CC)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 1760308452 FXRYJFCAUNPRFW-UHFFFAOYSA-N 444.377 4.623 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@H](C)C1 1760326827 YHMOTDIFUVWHML-YDHSSHFGSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C)s1 1760329000 MREARKZPKGXHIX-UHFFFAOYSA-N 444.004 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nc(C(C)C)cs1 1760330579 IGQKOTOOMZEECP-UHFFFAOYSA-N 426.546 4.884 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CCOCC)CCC2)CC1 1760384827 GAXMOLHYRJVRLZ-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2ccnc2C)CC1 1760405205 OQWNGTOYXWFKMI-UHFFFAOYSA-N 440.979 4.508 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 1760434033 YGCBZPCVTVHUSG-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCO[C@H](C)C1 1760491281 AABUTKAOSRBKKX-HZPDHXFCSA-N 449.368 4.840 30 10 IJEE CCOC1(Cn2c([C@H](C)CC)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CCCC1 1765935527 DPALCUXNRQGVFL-KNQAVFIVSA-N 437.588 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1(CCOCC)CC1 1772522756 BKPQVEDOQJPJCA-JOCHJYFZSA-N 430.955 4.937 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(F)(F)F)CC1 1772555288 CPAMLWDJCZARFP-UHFFFAOYSA-N 432.288 4.781 30 10 IJEE CN([C@@H](C#N)c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1857960676 QGFQMIJFHKQXTC-HNNXBMFYSA-N 434.142 4.641 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](C)C(=O)OC(C)C)c1 1858738324 TVYITKQYFUWUIY-KRWDZBQOSA-N 425.529 4.890 30 10 IJEE CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2cccc(C)c2)cc1 1859417488 JRVHCZAFPIUDSS-UHFFFAOYSA-N 449.514 4.989 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1Cl 1862380539 FQXSTFIVAZYBJK-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1C 1862403584 ZTBUQCKQYLHELI-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1862432939 QHXHQYDZKYJYLN-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCC)c(OC)c1 1862438607 COSSXNHQAWSVSM-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1 1862468456 PNKDCHUENKQVRQ-IBGZPJMESA-N 444.325 4.779 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(F)c2)cc1 1862517694 SXCORLKPTGDCBK-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2)cc1F 1862636449 HQZGBXAVDJXYND-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(O)c1)c1cccc2ccccc12 1862651793 AZCPEKCISGAERN-QHCPKHFHSA-N 429.472 4.772 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)cc1OC 1862683777 NGWZSFUBQGWSTC-JOCHJYFZSA-N 441.499 5.000 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2F)c1 1862703335 USABZPGMNYXOCR-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2F)c1 1862703453 UWVYFUHNJWOPNG-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 1862712918 CQIAYWNUAACHRF-DEOSSOPVSA-N 428.532 4.760 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862990251 UEIMZTWXVQRWAZ-UHFFFAOYSA-N 448.482 4.614 30 10 IJEE Cc1cc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094943 IVAYCFIKIIHXGD-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 1863707645 BLFGPQUHBYLHSP-AUSIDOKSSA-N 430.548 4.700 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)C(C)(C)c1cccc(Br)c1 1866062338 MDDQXCUVCDKXJW-UHFFFAOYSA-N 441.304 4.777 30 10 IJEE CC(C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866773832 XGPGZIVHNSYIGG-JOCHJYFZSA-N 429.495 4.753 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3cc4c(cc3[C@@H]2c2ccccc2)OCO4)nc(C)n1 1869292233 SJDKWJJJYTWCNY-MHZLTWQESA-N 440.547 4.844 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1870909408 XOMYREBYHRXGLM-UHFFFAOYSA-N 448.519 4.769 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(C2CCC4(CC2)OCCO4)C3)C1=O 1871359524 PFASWFZHDXWDDY-UCQKPKSFSA-N 447.531 4.757 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871383101 CVBIQRMSGBBSMW-NVMNQCDNSA-N 425.780 4.985 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871433099 WPNHNTUIWHHORM-UUYOSTAYSA-N 433.485 4.893 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(C)(=O)=O 1872217683 SWKWCLALIBXOTF-QHCPKHFHSA-N 428.598 4.997 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872319714 XFRBFQALFSXZFS-JOCHJYFZSA-N 444.597 4.605 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872410454 CLGPJWGUBFLEAT-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872474585 MKPQOPPFUXLYGY-QFIPXVFZSA-N 432.561 4.618 30 10 IJEE N#C[C@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763477 NAMDBSXJFJVUTQ-OAHLLOKOSA-N 428.267 4.971 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1C(=O)O 1874230506 MXLUDWBSIDOSSE-SSDVNMTOSA-N 430.917 4.511 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1Cl 1874239258 XVKHKVKXJXKRMF-OEAKJJBVSA-N 428.945 4.700 30 10 IJEE Oc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1 1874355328 JFIABROYMBWQOG-MFKUBSTISA-N 430.533 4.875 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(OC)c1OCC 1874379589 AMWKEOIKRAEARW-AFUMVMLFSA-N 440.544 4.966 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccccc1C 1874391356 DSLZGEICVNVTGB-PTFSYIGCSA-N 435.597 4.581 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C)cc2)cc1 1874459465 ORMWSRRUBXKZPJ-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(CC)cc1 1874573017 QMIBRQXYDOPJTP-PKNBQFBNSA-N 430.342 4.813 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OC(C)=O)cc3)c2)c1 1874694566 JPJYOPDHCUNXKG-NTUHNPAUSA-N 446.455 4.744 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1OC 1875103937 XSVBYPMAJFFNPL-FMIVXFBMSA-N 448.471 4.593 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1OC 1875127234 UOCSJZQQSPTMDM-DHZHZOJOSA-N 447.443 4.656 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCO)n2CCC 1875205079 HSBGEYGTUDHLGG-UHFFFAOYSA-N 431.625 4.848 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 1891686560 UZYVROZSLRUSGV-UHFFFAOYSA-N 426.560 4.941 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CC(C(F)(F)F)C1 1922107449 MAHQAWTUDNCGGU-GSVIPDFHSA-N 442.522 4.973 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1 1922111699 IVHVVDKSQDSIQL-VXKWHMMOSA-N 434.646 4.728 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 2010543569 NAHVQGAXJVETTF-QRWLVFNGSA-N 443.931 4.649 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2013355163 QIXIRUMUOOOIOB-UXHICEINSA-N 447.498 4.859 30 10 IJEE Cc1sc(Br)nc1CC1(C#N)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2052547936 IMELDYVHDBTBAU-NCNPBXTDSA-N 426.380 4.828 30 10 IJEE C#CC[C@@H](C[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2075971096 RLYULAIOESNOCZ-ZEQRLZLVSA-N 440.628 4.737 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1 2118190995 AUIZGZVGYOMWKL-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C#CCN(C[C@H](NCCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2142158427 ULRZDRKYUQFXDM-INIZCTEOSA-N 431.321 4.638 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)c(Br)c1 2156351063 CVQOXTRAMBLMNR-IBGZPJMESA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(C#N)c(Br)c3F)[C@H]2C1 2162340766 CHWJTPKXMZNKHO-SOUVJXGZSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 2181142204 TYDXDPPSKOHNED-KRWDZBQOSA-N 430.302 4.525 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CO1 2214513236 JOMHGBNGPAETRZ-HXUWFJFHSA-N 427.419 4.617 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 2235725093 CZBDEQLYEJRJOG-SFHVURJKSA-N 433.390 4.616 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cc(Br)ccc1OC 2292203296 NMVACNUTEVMAID-OAQYLSRUSA-N 435.314 4.763 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)C#Cc1cccc(Br)c1)C2 2296220341 XGLCEBXUODZXSB-VDNWNZSNSA-N 430.342 4.548 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C12CC(NC(=O)OC(C)(C)C)(C1)C2 2296269312 NQERKOKYAIJHRE-OSFYOIPJSA-N 433.390 4.616 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2296294074 PPDDGJVEDQLYFD-OALUTQOASA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C 2296301332 SPXVMEMLINAUHB-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCO3)c1 2322687893 SXZMAVSEXPPYPV-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccccc1C 2323101669 ICTSSUDHILQCRA-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323423176 NXECOVGXUYCZEK-UHFFFAOYSA-N 442.423 4.659 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1nccs1 2323802579 IEBWRJJXACRBSD-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2324753338 WVYAPKFGLVSDQZ-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4C(=O)O)c3C)C2=O)cc1 2325161808 XPIOFJFYGUBEEE-UHFFFAOYSA-N 443.455 4.635 30 10 IJEE CCCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(OCC)cc1 2328298193 DFMLVIZUOATHAT-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCSc1nnc(CCc2ccccc2C)n1N=Cc1cc(Br)ccc1O 2329481563 QBURVSUZLDYTLA-UHFFFAOYSA-N 445.386 4.834 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(C(=O)OC)cc1 2329568749 JQVYAZYMLSDJGH-UHFFFAOYSA-N 426.929 4.936 30 10 IJEE CCOc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 2329672136 ASVCYWIYVXQNJQ-LADGPHEKSA-N 449.595 4.907 30 10 IJEE CCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC)cc1OCC 2329831126 JYCSAOPZZSLJJD-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2ccco2)c1 2330467452 HJKBGXYHYKMYOM-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccc[nH]2)c1 2330547603 LJTUDFBCPHTCKO-UHFFFAOYSA-N 436.566 4.565 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cccnc1 2330730248 FBZLYGBJYDGHAH-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)c(OC)c1 2330935104 RHNHRHMEPTWFOZ-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1 2330989742 GTRXPFWTYUKSGH-SFHVURJKSA-N 443.916 4.866 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(OCC)cc1 2331640480 MWJNQVHRJYNGPB-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2F)c1C 2331673999 ROQAMONSURZEBW-UHFFFAOYSA-N 443.523 4.910 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585105 KIKIEISRYAKRJI-TZTFXGOKSA-N 442.365 4.503 30 10 IJEE CC1(C)CN(Cc2ccccc2)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587251 RPRBOQMYGNXBNY-CCEZHUSRSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339603065 UHAKLXARLMMKBJ-XIQMRYHBSA-N 443.397 4.832 30 10 IJEE N#Cc1cccc(Oc2cc(Br)cc(I)c2)c1[N+](=O)[O-] 2364271185 IMQRVGNDRNSPKW-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE CC1(C)OB(C=Cc2ccc(=NCCc3sccc3Br)[nH]c2)OC1(C)C 2365063908 HIDXNNHFFPAZFX-UHFFFAOYSA-N 435.196 4.627 30 10 IJEE CCOc1ccccc1/C=N\n1c(C)nnc1SCc1ccc(Br)cc1 2611462 UAGOUQOAEJKWLT-MTJSOVHGSA-N 431.359 4.922 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)SC1=S 33436292 JJGUFLUKLYYRHF-CPNJWEJPSA-N 425.531 4.610 30 10 IJEE COc1cccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)c(OC)cc2OC)C3=O)c1 33514076 IJOLLLFIIFQZJH-ROTLSHHCSA-N 448.471 4.916 30 10 IJEE COc1cc(/C=C2/Oc3cc(OC(=O)c4cccs4)ccc3C2=O)cc(OC)c1OC 34389088 AEQRXXZBBJIJDG-RQZCQDPDSA-N 438.457 4.609 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)S/C(=C/c2ccc(O)cc2OC)C1=O 36258337 DUFSCDIJXRSTJH-LICLKQGHSA-N 431.897 4.598 30 10 IJEE COc1ccc(Cl)cc1/N=C(\NCc1ccncc1)NC(=O)c1ccc(Cl)cc1 45939380 GOWALWOFHFFBKD-UHFFFAOYSA-N 429.307 4.604 30 10 IJEE CCc1ccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccc(OC)cc4)ccc3C2=O)cc1 102735630 OJIKYZMPJHSAPH-OEAKJJBVSA-N 436.485 4.642 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C\c2ccc(OC)cc2OC)C1=O 103170150 QHXDYCHOOGVFME-UNOMPAQXSA-N 425.506 4.556 30 10 IJEE CCN(CC)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)o2)[C@H]1c1ccc(C(C)C)cc1 103223894 IIQGBKNQHCOHHF-UGUGFTGJSA-N 438.568 4.865 30 10 IJEE CCCCCOc1c(OC)cc(/C=N\n2c(S)nnc2C2CCCCC2)cc1[N+](=O)[O-] 169910036 DTLZJOSXJXLEJY-HMAPJEAMSA-N 447.561 4.983 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921324 QIUVYBYHYPJEHT-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CCCN1C(=S)N[C@H](c2cc(Cl)cc(OC)c2O)C(C(=O)c2ccccc2)=C1C 169928691 TXXASWPRPOWKMU-LJQANCHMSA-N 430.957 4.852 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 169936614 HJGYJTIPCNGQIU-QHCPKHFHSA-N 440.540 4.672 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)cc1 169959574 KXSBYLLNSANRKC-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccn1)c1ccc2c(c1)CCO2 169996162 ZRBFVDXSHJQUEV-RUZDIDTESA-N 448.478 4.953 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066876 FRNCMFKXIGZIPZ-RDGATRHJSA-N 433.548 4.886 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2C)cc1 170087755 XXYGQHNMGQDDRO-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170114105 RRXZIJDGBGKAKC-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170118134 MUJVSLUNQANMRS-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccc(O)cc3)ccc2O1 170130449 FYYWKFHRIFYGKC-PEBXRYMYSA-N 447.512 4.556 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(O)c(OCC)c1 170149121 WEISYTCNDXJNML-QFIPXVFZSA-N 439.508 4.566 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OC(C)C)c1 170152692 IAUCCKKAFVHMLR-DEOSSOPVSA-N 449.547 4.577 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 170261232 KXKARVXABHXEQE-XMMPIXPASA-N 436.467 4.719 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccco1 170295607 FCDDXXLWIGQEGO-IBGZPJMESA-N 447.915 4.643 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)c1 170296392 NAQAAJQOVIWFAH-JOCHJYFZSA-N 429.428 4.813 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(C)c2)c1 170344049 SEZKAMGIIKFEGJ-HSZRJFAPSA-N 441.483 4.955 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccccn1)c1ccccc1 170350890 UCIPKUGGWBUNMX-IBGZPJMESA-N 440.377 4.763 30 10 IJEE N#C[C@@H](C(=O)c1sccc1I)c1ccccc1Br 310994831 WJXMDPWJKLRGRZ-SECBINFHSA-N 432.080 4.605 30 10 IJEE N#C[C@]1(Nc2ccc(Cl)c(Br)c2)CCN(C(=O)OCc2ccccc2)C1 401875559 DYWZYVVXJQTRNN-LJQANCHMSA-N 434.721 4.819 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C#N)Cc1cc(Cl)ccc1I 404927987 KWKCMVPIVNEEDY-QGZVFWFLSA-N 446.716 4.780 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1)c1ccccc1 428990831 IAXLFXQMJXWHIQ-IBGZPJMESA-N 427.570 4.916 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](c1ccccc1)c1nc[nH]n1)c1ccc(C(F)(F)F)cc1 446652814 KBJXUVSRCFEPAN-RTBURBONSA-N 429.446 4.920 30 10 IJEE C=C(C)C[C@@H](C)C(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 466836128 DTENPNLJTNKAIS-HZPDHXFCSA-N 436.478 4.563 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Br)cc1OC 469008213 LTJPSODYKFHUKX-CQSZACIVSA-N 448.317 4.825 30 10 IJEE C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 471003670 FSTRJUGLOSSIRS-QRWLVFNGSA-N 442.350 4.987 30 10 IJEE CSc1nc(O)c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N 508071472 BHJHIPKBERMDDQ-UHFFFAOYSA-N 436.364 4.929 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OC)c2OC)c1 526489245 PKWYLYQQDPQPDT-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 568547115 RWLAMOBZCPQQDP-AREMUKBSSA-N 433.511 4.576 30 10 IJEE C=CCn1c(C2CCC2)nnc1N1CCC[C@H]1c1ccccc1I 589247185 IBIDUXCMNTYBSI-KRWDZBQOSA-N 434.325 4.678 30 10 IJEE O=C(c1ccc(O)c(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 681123288 BMLGLIJZNAKFSZ-MRXNPFEDSA-N 437.311 4.783 30 10 IJEE Cc1cc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c(C)n1-c1ccc(C#N)cc1 741710739 HIMYTDNADTVVJN-RDPSFJRHSA-N 432.593 4.840 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)C2(c3ccc(F)cc3F)CCOCC2)cc1 774579591 MAFWXYXDNODFTR-UHFFFAOYSA-N 429.463 4.661 30 10 IJEE N#Cc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)cc1 781367275 IEGWTKICRVTALC-HSZRJFAPSA-N 438.449 4.882 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 799218629 IHDUWMDGAARGAZ-OAQYLSRUSA-N 431.492 4.572 30 10 IJEE C=CCN(C(=O)c1cnn2c1OCCC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1124558430 KDWYTVGXBMSVGG-UHFFFAOYSA-N 435.336 4.929 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 1124884763 ICHYOFYTHFGBHL-NBTXJNEHSA-N 447.554 4.966 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)c1 1125778783 VESGKMOCSNXZBL-UHFFFAOYSA-N 431.488 4.828 30 10 IJEE COC(=O)[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1CCCCC1 1126987998 BOWNYPQWURVLIZ-NRFANRHFSA-N 426.900 4.856 30 10 IJEE C[C@@H](NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1cccc(C#N)c1 1133725241 AOSKIVUBKIDGNK-OAHLLOKOSA-N 449.352 4.876 30 10 IJEE C#CCOc1ccc(C(=O)N[C@H]2CC3(CCC3)Oc3ccc(Br)cc32)cc1 1133740866 HPNHFLRVRXMBNW-IBGZPJMESA-N 426.310 4.637 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1 1146246706 DFTWVGBQXGBDGV-UHFFFAOYSA-N 440.565 4.541 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(F)ccc3SCC(F)F)n[nH]2)c1C 1147617374 CNALKMYLBSROPU-UHFFFAOYSA-N 435.475 4.825 30 10 IJEE C#C[C@@](C)(CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 1158491631 FYCVSUKOLAWUJK-FQEVSTJZSA-N 439.412 4.918 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)C12CCC2 1163819286 HDIXJVOJSSMTDE-YADHBBJMSA-N 431.536 4.791 30 10 IJEE CCC1(CC)CN(CC(=O)NCc2cccc(C#N)c2)c2ccc(Br)cc21 1168323547 AJMDOCASVLPCBX-UHFFFAOYSA-N 426.358 4.515 30 10 IJEE C#CCN(Cc1ccc(Br)nc1)[C@H]1CCOc2ccc(Br)cc21 1180291896 HPHWQTFFNKCGPM-INIZCTEOSA-N 436.147 4.566 30 10 IJEE C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 1186939547 FUWJMKXOGSOGGA-ONUMYQOESA-N 428.863 4.906 30 10 IJEE C#CC1CCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)CC1 1195463113 GVAFLVRRFHTQND-UHFFFAOYSA-N 430.957 4.529 30 10 IJEE CN(Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 1198015934 CMDFBMQXYHLADV-DEOSSOPVSA-N 441.535 4.778 30 10 IJEE C#CCN(Cc1ccccc1)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC 1205740621 KHMYBOGZUQQXMY-UHFFFAOYSA-N 428.319 4.601 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1c(C)sc2ccc(Cl)cc12 1211816273 RFLMXYIKOLNWOZ-UHFFFAOYSA-N 425.959 4.715 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C(C)C 1221031550 FFEYNDWNAGBXET-IFMALSPDSA-N 433.552 4.664 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1 1252969922 BFAYLGURGAKJLJ-RTBURBONSA-N 433.618 4.727 30 10 IJEE COc1cc(C#N)ccc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 1267665112 BBASOSSQCREZHZ-BTYIYWSLSA-N 443.906 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@H](OCC)C1CCCC1 1286281456 GWYORQZIMKAAED-DVECYGJZSA-N 431.584 4.937 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@](C)(OC)CC1 1286342677 RNEYSNUNQGUDOZ-CPJSRVTESA-N 440.588 4.626 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1scnc1C 1286345707 KNNGWWVYOBPXRD-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1occc1C 1286422652 NNSFKLHNGLSZEF-UHFFFAOYSA-N 441.560 4.790 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1286506816 OECKDMZEYFICKF-SFHVURJKSA-N 438.519 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1286562319 KMTGHCVLLZBXGG-CSEOROSGSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CSCCS1 1286569784 ZCUWFVVIFKMEQW-OAHLLOKOSA-N 427.014 4.989 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1286578249 CDSMMSAGZOYNSZ-NLFFAJNJSA-N 427.612 4.921 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1286600958 RQOPLPYPKJSCMZ-LJQANCHMSA-N 439.387 4.879 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 1286613862 HGBCCRWUKOZPRQ-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286632766 DZVNISKORTUYEC-OXQOHEQNSA-N 432.996 4.768 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC2CCOCC2)CC1 1286640179 HBOYGRWWWIJTDN-UHFFFAOYSA-N 438.616 4.985 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCC[C@@H]21 1286698784 HDXYPYMDRCUPHX-ICSRJNTNSA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccsc1Br 1286729554 UNOHULXTRSOGTP-UHFFFAOYSA-N 447.402 4.968 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccc(-c2ccsc2)nc1 1286768893 KFRHNWBXOWDLFT-UHFFFAOYSA-N 425.602 4.677 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(COC)CCCCC2)C1 1286801961 LECIRUUQSXHRNV-HSZRJFAPSA-N 438.616 4.886 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nnn(-c3ccc(F)cc3)c2C)s1 1287318624 HQPZMGDMKHPROK-UHFFFAOYSA-N 437.953 4.506 30 10 IJEE C=CC[C@H](C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1289423951 BYIJYKIQEHXSQJ-MELADBBJSA-N 427.335 4.976 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F)C(C)C 1292958650 YMWMVDCKEGPWEB-HXUWFJFHSA-N 434.506 4.628 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)Cc1cccs1 1300275729 ZDIYSUDGQFEOGG-BZSNNMDCSA-N 426.561 4.955 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(OC)C1 1300348675 MZKQOJFKNJIHHR-UUOWRZLLSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCCC1 1300410162 XKBSNWRLMRHCMH-HXUWFJFHSA-N 429.609 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](COCC)C1 1300870424 SKTKWZZCENJHEJ-CBQOVEMMSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccco1)N1CCCC1 1300905854 FYBCHPZQGVOEKG-LJQANCHMSA-N 440.979 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CC1(SC)CCOCC1 1300925254 SKFOZXNONJAHNW-UHFFFAOYSA-N 444.645 4.789 30 10 IJEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)sc2ccc(C#N)cc12 1301110805 GBERIBDIXSFOLD-SFHVURJKSA-N 427.570 4.799 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1301134912 ORHBTWMLHDBRBN-WIOPSUGQSA-N 438.616 4.937 30 10 IJEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)C1 1301238337 HNLGACISLKWVGO-FQEVSTJZSA-N 435.597 4.682 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1301241243 PSSRHQILCFIWHQ-UHFFFAOYSA-N 433.478 4.578 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1nccn1C(F)F)C1CC1 1301316665 IGUMMBJDBOZFQH-UHFFFAOYSA-N 449.303 4.502 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1OCCC1(C)C 1301339024 CSYLHYXJKBOYMT-QHCPKHFHSA-N 442.567 4.528 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1301602370 YZJLEYKAYWHRAU-UHFFFAOYSA-N 425.602 4.520 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C)[C@H]1C 1301615073 DVCLXZXAUUKKMC-SJORKVTESA-N 427.643 4.600 30 10 IJEE CC1(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCN(C(=O)OC(C)(C)C)CC1 1307076447 DPPYRXFBVNYREB-UHFFFAOYSA-N 437.588 4.933 30 10 IJEE CCOC(=O)C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)c1ccccc1C 1310350012 ALQCHSRFJBAICT-QFIPXVFZSA-N 444.491 4.870 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[C@H](C(F)(F)F)O1 1310863555 NACBNGFFSHNARD-IUODEOHRSA-N 437.256 4.635 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)COc1ccccc1C(F)(F)F)c1ccc(Cl)cc1F 1311711921 HCLFMEXYVSHJIJ-PXAZEXFGSA-N 428.813 4.939 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCC(C)C)ccc1Cl 1350606421 LOIOFQDILFPKIG-UHFFFAOYSA-N 441.380 4.761 30 10 IJEE COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 1352714156 GSLMFGQXGBSQJF-RSXGOPAZSA-N 439.515 4.998 30 10 IJEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)c1ccccc1 1357221021 VZOPLVXZZXRDDY-DEOSSOPVSA-N 440.609 4.528 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)cc(OC)c1OC 1357245958 CAQYONFCLSONFU-UHFFFAOYSA-N 440.927 4.815 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 1357743950 LNVICPNMIRJOCV-LXGWOEDASA-N 436.983 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(-c2ccsc2)nc1 1358876872 SEKNFEVTIVHBCD-KRWDZBQOSA-N 429.549 4.583 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccccc1C 1358922043 RNMWMQDTLMHHIK-QGZVFWFLSA-N 440.389 4.965 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CN(CC)CC)C1 1358924477 XRCOJDBCBMOYNI-KRWDZBQOSA-N 434.415 4.833 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1358943269 CALNRENKIBZNDR-UNMCSNQZSA-N 435.959 4.539 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OC(C)C)nc1 1359014612 POVHTYSOMNXWDS-UHFFFAOYSA-N 435.597 4.569 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC(C)(C)C(F)(F)F 1359017851 UJNCZRDZQMXFSX-UHFFFAOYSA-N 445.464 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@H](CC)NC(=O)OC(C)(C)C 1359067932 IEYZASLJVREGAF-UQBPGWFLSA-N 437.588 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1359094284 ZABIUZXBMGCOOQ-NJYVYQBISA-N 430.543 4.970 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCC1(C)C 1359108864 GKQKATFRNMAWCN-LJQANCHMSA-N 430.618 4.577 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359118869 ITRVEQINRXAGLC-DNVCBOLYSA-N 431.378 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359186042 ROVXHQBVLGOZIU-OAQYLSRUSA-N 435.616 4.598 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359190743 BJFWTKFYIWNSAM-AZUAARDMSA-N 445.652 4.963 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](OCC2CC2)C1 1359211341 ZRKDFEGLJZUXHS-IBGZPJMESA-N 430.980 4.969 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CCN1CCCCCC1 1359259060 KWTSXHBNADQTPU-UHFFFAOYSA-N 435.641 4.999 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC(OC(C)(C)C)CC1 1359309677 AOIXONSFYJNBGX-UHFFFAOYSA-N 447.583 4.737 30 10 IJEE C#CCN(C(=O)c1ccc(C2CC2)nc1C)[C@@H]1CCOc2ccc(Br)cc21 1360557412 XRZKNSCTDQOBFE-HXUWFJFHSA-N 425.326 4.629 30 10 IJEE C#CCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)[C@@H]1CCOc2ccc(Br)cc21 1435174634 GVKTTYPYFUCKSO-GOSISDBHSA-N 443.297 4.519 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1cccc(OC)c1)[C@H]1CCOc2ccc(Br)cc21 1435176918 ZEURGMUQTFJBCF-XHVGKJTDSA-N 440.337 4.847 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 1450080919 MNONJLFSCGZSSV-SSOJOUAXSA-N 442.490 4.543 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1 1456613941 YQYARURBTNXTGR-UHFFFAOYSA-N 437.517 4.628 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](Nc2c(C#N)nnc3ccccc23)C1 1458365672 FBWHJCHRDKBWQS-KRWDZBQOSA-N 436.357 4.962 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](O)c1ccc(Cl)c(Cl)c1 1458872425 GCPNICCCGHUPHB-GOSISDBHSA-N 441.428 4.625 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(O)cc(-c2ccccc2)n1 1459288855 DRRZNAXXOCUSKY-OAHLLOKOSA-N 436.562 4.974 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)cc1OCC 1461617599 RDRCEDQQWSFFQE-QUCCMNQESA-N 447.373 4.818 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cccnc2)c1 1464255982 IBCFKZSNQAJSHB-LJQANCHMSA-N 431.920 4.635 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 1464963825 ZVDMNALBXBOSNI-FQEVSTJZSA-N 435.996 4.575 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1470489085 BYHJMHGZOOPBCN-CCDCCJRHSA-N 427.589 4.746 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c(C(F)(F)F)c1 1475400743 BVNUTHLRJCHKPX-GDBMZVCRSA-N 428.863 4.845 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccnn2Cc2c(OC)cc(OC)cc2OC)CCCC1(C)C 1476468719 XLTADILAXYXVAK-OAQYLSRUSA-N 442.560 4.556 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCCn2c3ccccc3c3ccccc32)c1 1477923747 DYIUWQAJFVQCQG-HXUWFJFHSA-N 426.520 4.975 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)c2ccccc2F)n1 1492509110 HKVOXWBTOQYCMO-UHFFFAOYSA-N 432.547 4.896 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CCS1 1497716263 CNTWCZBSMPBQAN-NRFANRHFSA-N 439.629 4.888 30 10 IJEE CCO[C@H](CCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)C(C)C 1502577520 AZJAEWIJZKHJPY-PTUXOGIPSA-N 439.604 4.692 30 10 IJEE CS[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)C(C)(C)C 1505177890 CWXJDRWWFVEQFJ-AUSIDOKSSA-N 429.609 4.916 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H]1CCO[C@@H](C)C1 1507523922 SPCWRYMCGSNEBN-CADBVGFASA-N 426.630 4.795 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(Cc1ccccc1)CC1CCOCC1 1507558781 JCMMVXCRELYZDV-UHFFFAOYSA-N 429.568 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCc1sccc1C 1507664916 QPPRNVKUQLMNDT-UHFFFAOYSA-N 426.948 4.813 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H]1CCCCN1CCCC 1507699109 BQRSDDCMVPNJLG-QHCPKHFHSA-N 425.596 4.835 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H](C)CCSC 1507790275 CPWBEWNYBLMZMA-INIZCTEOSA-N 439.423 4.652 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1507804101 JVQMZFCMMVOYEG-VNZMSGEBSA-N 435.547 4.582 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2ccccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507875816 YIKLYBMVSBAULZ-CALCHBBNSA-N 449.958 4.577 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@@H]2CCCCO2)CC1 1507880186 HXULUNZBZAPAOT-HNNXBMFYSA-N 437.407 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1507913023 TXEPWVPEHIHFTC-FCHUYYIVSA-N 438.664 4.977 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1507935676 TYTAFZTXXOSOKM-UPVQGACJSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1nccs1 1507997660 CVUIRAHCXMRMCR-KRWDZBQOSA-N 434.569 4.735 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1508025928 QXBJHLJQWZBJHP-SFTDATJTSA-N 427.637 4.772 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCC(F)(F)C1 1508415824 DZHCCZZEGMDLSV-SJORKVTESA-N 445.514 4.528 30 10 IJEE C=C[C@H](CC)CC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 1519942890 RYWFKWPKCNYTPU-VLIAUNLRSA-N 433.321 4.987 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)s2)[C@H](c2ccccc2Cl)C1 1524018148 AKDWUIWYLXDAIS-KRWDZBQOSA-N 431.945 4.707 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 1524812334 CHFRBZVGVTWLHM-UHFFFAOYSA-N 449.295 4.949 30 10 IJEE C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)NCC(C)(C)CC#N 1524952925 DBTDFPCKGGDUSN-AWEZNQCLSA-N 440.594 4.742 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccnn2Cc2cccc3ccccc23)c(OC)c1 1526903852 NEZZSWQDCDXMLY-UHFFFAOYSA-N 427.504 4.839 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CCC3)CC2)c1 1527043568 AFOMAGIRMIBQCO-UHFFFAOYSA-N 441.497 4.780 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(I)cc(Br)c1C 1527069814 XVDFCNCNNOPZIC-UHFFFAOYSA-N 436.131 4.694 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 1529184294 BYUNMVBBYBAJRB-UHFFFAOYSA-N 446.414 4.731 30 10 IJEE Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCN(c2ccsc2C#N)CC1 1532371825 GACWNLOAAPERKL-UHFFFAOYSA-N 436.606 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1538992775 YGWPOLJODFUVGP-JVFUWBCBSA-N 440.588 4.548 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCN(C(C)C)CC1 1539095539 GCAKCZDLFDGIIM-UHFFFAOYSA-N 444.627 4.687 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCOC1CCCCCC1 1539569467 PGLMGATVDSEPNN-RUZDIDTESA-N 440.563 4.728 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)CC(C)C 1539578931 FUMQBENIBVHTPT-MRXNPFEDSA-N 437.382 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CC(C)(C)c1ccc2c(c1)OCO2 1539666267 SRMGHMVBKQNDOG-UHFFFAOYSA-N 433.556 4.757 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)c(Cl)c1 1539696905 JSFDIHHEMJAPCZ-GOSISDBHSA-N 428.337 4.718 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1539801769 HYKRNXCWUGCNKR-OAQYLSRUSA-N 428.964 4.965 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539829007 RYRVIROQXJEWRB-CMKODMSKSA-N 430.980 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCCSC 1539907210 XVCAVKUZSFLXHJ-UHFFFAOYSA-N 440.455 4.838 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1C(C)(C)C)c1ccccc1 1539947381 JNDWBRFQERFGJL-RRTYAWIHSA-N 438.616 4.708 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)c1nccs1 1539997489 NTTKKPAUYXPUMR-GOSISDBHSA-N 433.585 4.793 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540014825 XACLHIBNJUYGLO-MJGOQNOKSA-N 438.494 4.596 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 1540575996 SLQGRASHFKWFPI-UHFFFAOYSA-N 443.588 4.748 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc(C)o2)cc1 1540878760 HPZNWKILESMCNQ-UHFFFAOYSA-N 449.580 4.785 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2[C@H]2C[C@H]2C)C1 1540895156 MIRKLMVSLZAJSJ-AHRSYUTCSA-N 430.980 4.614 30 10 IJEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1541515551 ARBQYGJSZKDJPJ-FYYLOGMGSA-N 434.632 4.954 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 1542190804 YWJWKQOLEDAEJG-TZIWHRDSSA-N 440.588 4.877 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 1546042355 GYZHWOQITXNRDN-UHFFFAOYSA-N 431.839 4.609 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccccc1 1557391885 ICMPJLIHOCUAIG-DEOSSOPVSA-N 439.563 4.737 30 10 IJEE C=CCn1c(SCC(=O)N2CCC(C3CCC3)CC2)nnc1-c1ccc(Cl)cc1 1557403758 CFBWJXWIAVVTDR-UHFFFAOYSA-N 431.005 4.915 30 10 IJEE C=CC[C@@H]1CCN1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 1558704400 RIOJVBAWPNFMSH-LJQANCHMSA-N 434.565 4.520 30 10 IJEE COc1cc(CNc2cc(Br)c(C#N)cc2F)cc(Br)c1OC 1559091673 IASYKIBMTFSXHU-UHFFFAOYSA-N 444.098 4.852 30 10 IJEE CN(Cc1ccc(Br)cc1Cl)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1559813264 AOBSBSVFOJPWBA-IBGZPJMESA-N 432.749 4.602 30 10 IJEE CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)CC1(CC#N)CC1 1561508004 AMRGVLSSLFPPLE-UHFFFAOYSA-N 439.792 4.761 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc1C#N 1562845072 GQVWFCPHMWMOOI-SZNDQCEHSA-N 435.484 4.532 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)N3CCN(c4ccc(C#N)cc4)CC3)CCC2)cc1 1563905324 CWMZSUCAUNWMGI-UHFFFAOYSA-N 430.596 4.809 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(c2ccccc2Br)CC1 1564140192 BRJSNOYXKUVLBE-GHTZIAJQSA-N 438.369 4.962 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C 1564512864 DBXPIRVRWJSSMT-ZWKOTPCHSA-N 427.358 4.878 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cc1OC)c1ccc(F)cc1 1564996519 ZNRHMTUJJCRQDB-OALUTQOASA-N 431.305 4.818 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 1583056371 DFYHYTIOEGEOJM-PMVMPFDFSA-N 443.632 4.920 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1583852828 HUTZYYCBOGKGJN-QFIPXVFZSA-N 449.551 4.657 30 10 IJEE Cn1nc(C2CCOCC2)cc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1587636904 GIFKBAOEHDTOMT-UHFFFAOYSA-N 436.899 4.884 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1587777744 PXXOEZWYXKGMOI-PBYQXAPXSA-N 440.638 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(Cl)s1 1589172158 ZRCFWSHXHBSFAJ-JOCHJYFZSA-N 442.972 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)[C@H](C)CCC 1589177895 PRZUSDNZPVDMDH-NFQMXDRXSA-N 449.643 4.787 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1589347809 WNICAUBRZABXMX-GOSISDBHSA-N 449.393 4.646 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](OCC(C)C)C1 1593703984 PPKYXZNSBWTSRT-OAQYLSRUSA-N 449.599 4.646 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CCc2cccnc2)CC1 1594070843 OEVMYFPQRLCWMG-UHFFFAOYSA-N 447.583 4.927 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1594431191 ZXOXUKJCCQAGFJ-QFIPXVFZSA-N 437.632 4.688 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(C)c2C)CC1 1594744460 QXCGQALUTRZFPS-UHFFFAOYSA-N 436.629 4.543 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1594766748 BXSQRESFZCUUJJ-GBXCKJPGSA-N 442.629 4.619 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN1CC 1595239811 SWQCPCVZQKMHNW-RPWUZVMVSA-N 437.632 4.629 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 1595640537 ZGQOHVCWSGRYON-HSZRJFAPSA-N 438.616 4.875 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC2(C)C)C1 1595699869 IJSAOWRBMLBGHZ-ZBFHGGJFSA-N 449.368 4.674 30 10 IJEE C#CCN(C(=O)c1ccc(-c2csc(C)n2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1596147374 RQRSJCQCHOMQJK-UHFFFAOYSA-N 445.610 4.655 30 10 IJEE CCN(CCC#N)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(OC)cc1 1615743750 GEOMFACPTSLVRB-AREMUKBSSA-N 440.547 4.762 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(C)C 1615883775 FJRBJYXVYCIGRR-QHCPKHFHSA-N 443.035 4.633 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C 1618637982 OVFRZXFNIMQDSP-UHFFFAOYSA-N 444.597 4.693 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)sc2ccc(C#N)cc12 1621962835 CUBJOGYLBPAFSH-QGZVFWFLSA-N 432.954 4.927 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 1623648900 GGUSOBCKBIGQRL-INIZCTEOSA-N 425.579 4.618 30 10 IJEE CCCc1c(C(=O)Nc2cc(C#N)c(F)cc2F)cnn1-c1cc(F)c(OC)cc1F 1624592071 HJKPHKYCIJRBSI-UHFFFAOYSA-N 432.377 4.514 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1)c1ccccc1 1625196593 FSKBWOUDUKJYCZ-HSZRJFAPSA-N 439.515 4.919 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3cccc(C)c3)c2CCC)CN(C(=O)OC(C)(C)C)C1 1626584949 XSHWZNFHYLCCJT-UHFFFAOYSA-N 438.572 4.885 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)cc1 1626979993 VORXNOXZQHVRHW-UHFFFAOYSA-N 430.589 4.583 30 10 IJEE N#Cc1cc(Cl)c(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(Cl)c1 1630270662 DUMPQYIUUIISAM-UHFFFAOYSA-N 448.619 4.510 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1csc(-c2sccc2Br)n1 1636632435 VSJLOQFXEKDFDQ-AWEZNQCLSA-N 439.400 4.703 30 10 IJEE C=CCC[C@H](NC(=O)CNC(=O)c1ccc(OCC)cc1)c1ccc(C(F)(F)F)cc1 1636926895 PBKRXTJKVISXBP-FQEVSTJZSA-N 434.458 4.658 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3)C2=O)nc2sc(C)c(C)c2c1=O 1640683552 FZYVTXCSTPPIFG-INIZCTEOSA-N 445.997 4.812 30 10 IJEE C=CCn1c(SCc2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccc(F)cc1 1643468713 HYVAAXVBIZUMJK-UHFFFAOYSA-N 425.464 4.675 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H](CO)c2cccc(Cl)c2Cl)c1C 1643732053 GEKWJWUYEFKCAZ-HXUWFJFHSA-N 434.367 4.522 30 10 IJEE C=CCN(C(=O)CN1CCC[C@@H](C#N)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1648265565 RZVGGIIBAAEKHM-AWEZNQCLSA-N 435.380 4.871 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 1648864273 RNHQKOBLEZDIRC-GOSISDBHSA-N 432.442 4.836 30 10 IJEE C#C[C@@H](NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)c1ccc(Cl)cc1F 1652446791 VIBBFWRMZANXEG-HXUWFJFHSA-N 447.938 4.593 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccc(Cl)c(Br)c2)CC1 1652738132 ANUUJMIWSGQJKT-UHFFFAOYSA-N 447.720 4.544 30 10 IJEE Cc1oc(NC(=O)CN2CCCC[C@@H]2Cc2cccc(Br)c2)c(C#N)c1C 1654793136 CIFBSVLALFNYDX-GOSISDBHSA-N 430.346 4.566 30 10 IJEE C=CCn1c(SC[C@@H]2CCC(=O)N2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1656001795 CQZPPVKYZLBIHV-HOTGVXAUSA-N 430.643 4.714 30 10 IJEE C=C[C@H](Sc1nnc(-c2ccc(N(CC)CC)cc2)n1-c1ccccc1C)C(=O)OC 1656013065 MYCSCEBYMUJCLP-NRFANRHFSA-N 436.581 4.909 30 10 IJEE O[C@@H](CNCc1ccc(OC(F)F)cc1OC(F)F)c1ccc(OC(F)(F)F)cc1 1656247412 BPPNNYISAJWQLV-AWEZNQCLSA-N 443.315 4.611 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)c2c1 1656691245 BETWUWHDSYJJIH-HNNXBMFYSA-N 432.505 4.527 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1659011253 OMDYJGVVYVVZMN-OAQYLSRUSA-N 432.992 4.964 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 1660163528 FSNLVBRYNOKWTL-LJQANCHMSA-N 444.354 4.718 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 1667557187 FDVPQULHRZSDMW-PZJWPPBQSA-N 433.618 4.816 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 1667593231 BUNVPCURHJLMBH-UHFFFAOYSA-N 446.473 4.858 30 10 IJEE COc1ccc(C2(CNC(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CCC2)cc1 1670162707 FHHYMUYVJUMMTR-UHFFFAOYSA-N 435.915 4.649 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1ccc(F)cc1 1674202569 NSLNUXQMPPENOU-MDOVXXIYSA-N 449.448 4.954 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1675013998 GEVQQUWHRORKRQ-UHFFFAOYSA-N 432.451 4.516 30 10 IJEE C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1675135118 BQNOQOHVRCNIPI-NRFANRHFSA-N 441.329 4.859 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1680284859 VSYWBNRJKNEDBL-DZIWXPPMSA-N 435.515 4.669 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 1682317597 ULQRKEFZMPYZGZ-CRAIPNDOSA-N 435.515 4.892 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1 1686549338 COEPZAXDJGEUIN-QFIPXVFZSA-N 435.524 4.532 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)n1 1686978040 NZVVTDLLYYLZMT-SFTDATJTSA-N 430.552 4.949 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCO[C@@H](C)C1 1690007797 JJMSOLZGEAAVMI-RBUKOAKNSA-N 448.567 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1690065193 OTDUXCFSSVSDID-NRFANRHFSA-N 439.604 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C)=C(Br)C1 1690241117 OPUPUIXDDOJLDZ-VQIMIIECSA-N 447.377 4.707 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690281436 UREHGILFYRZPRN-GOSISDBHSA-N 443.567 4.744 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1690305097 XHWQLWRMKDIAKZ-LJQANCHMSA-N 426.605 4.839 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCSC2)CC1 1690369053 WLNORQSYTTWKTQ-CQSZACIVSA-N 437.382 4.756 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1690404927 XZYUSOYZIPWDRO-QGZVFWFLSA-N 432.515 4.800 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690455326 GZISPDRHPCTFHR-IIBYNOLFSA-N 430.980 4.967 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H](C)C1 1690503696 LHXHAANCGWBBDC-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1690521448 ZCYIGDUFZCUISN-RBBKRZOGSA-N 432.597 4.584 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@@H]1C 1690567365 ATJCMBRBCNSAJI-MJUUVYJYSA-N 437.588 4.822 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1Cc1nnc(CC)s1 1690569814 MXHKPSIQOAKRDH-UHFFFAOYSA-N 438.532 4.640 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCCC1 1690573766 CNSMEQNILFDZII-HSZRJFAPSA-N 430.618 4.763 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](OC)C(C)(C)C 1690605708 USZAXFJGNHXJJR-QFIPXVFZSA-N 433.556 4.706 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705511508 WWOYHFBHBKVRTB-FUHWJXTLSA-N 432.410 4.865 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccon1 1705520971 MDKCSIGYEDUMSB-UHFFFAOYSA-N 434.327 4.592 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCCN1CCCC[C@H]1C 1705542973 SIICDQCMDKDOSQ-GGAORHGYSA-N 437.632 4.759 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN(C)C1CCCCC1 1705546742 KEDZEVTWSKDHAE-UHFFFAOYSA-N 434.415 4.976 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@H]1CCO[C@H](C)C1 1705589668 UTFAVFFCDPCGPF-NHTMILBNSA-N 448.611 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@@H]1CCO[C@@H](C)C1 1705589670 UTFAVFFCDPCGPF-OEMFJLHTSA-N 448.611 4.703 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1SC 1705699550 IMBXAZFSRIOSHX-OFNKIYASSA-N 449.624 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCCC1 1705714152 GTPPRQGPJXMJNU-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)c1ccccc1F 1705720847 STBLDQLYTKUBGQ-RXVVDRJESA-N 430.568 4.521 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1csc(CC)n1 1705724175 SLLNKJJIAPTFLI-UHFFFAOYSA-N 432.391 4.939 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1705756420 ASWHFCZQFZJPRH-FQEVSTJZSA-N 428.005 4.788 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CCN(CCC)CC2)CC1 1705763303 SISGGKXUYTVBJK-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H](OCC)C2CCCC2)CC1 1705771730 CHLMYCFJQAPPGS-DEOSSOPVSA-N 449.599 4.871 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1705796916 MWWDGBWDODUHHZ-QZNHQXDQSA-N 430.600 4.619 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](COCC)C1 1705824414 PHWARCLBPHSIGB-UXHICEINSA-N 447.624 4.569 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccc(Br)s1 1708450744 DERLKYYWAXZRDF-CQSZACIVSA-N 436.423 4.988 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(O)(CC)CC 1722284825 MSMBMKJWABPHIR-MRXNPFEDSA-N 426.561 4.822 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC[C@@H](C)N1CCCCC1 1722476473 XEVHQGPBUSYNOD-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1722512360 AYSAHROJSQSELI-DEOSSOPVSA-N 446.643 4.988 30 10 IJEE C=C(C)COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H](C)CC#N 1722529655 YJWQDBSBYIVFTR-KRWDZBQOSA-N 436.585 4.708 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCO[C@H](C)c2ccccc2)CC1 1722584128 WZGVAGGSOVIEST-OAQYLSRUSA-N 431.584 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(CCC)CC1 1722592342 UKKVMIGAOULVJT-UHFFFAOYSA-N 430.666 4.547 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722610777 QQFPZWVSGDKRLT-PMACEKPBSA-N 441.645 4.608 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722611702 AIWZTODTTOVDSW-OAHLLOKOSA-N 427.902 4.638 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCSC(F)(F)F 1723975339 BLGXMTCGDNAJBN-STQMWFEESA-N 431.459 4.549 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCO[C@H]1C(C)C 1740648872 LCYPSKOXIWUSSE-LSQMVHIFSA-N 448.611 4.559 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1OCC)C1CC1 1740907887 CBCPWXAEYKEMKL-UHFFFAOYSA-N 442.361 4.638 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)COC 1740919657 NMFMPYPBSIHGJJ-UHFFFAOYSA-N 443.954 4.998 30 10 IJEE C=CCSCCn1c(N2CCC[C@](C)(OC)C2)nnc1C1(c2ccccc2)CCC1 1741005513 YEJQYUFSLXCFNB-QHCPKHFHSA-N 426.630 4.673 30 10 IJEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 1744348618 GFVRRQLTCYISAM-GBESFXJTSA-N 433.478 4.530 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N(C)C 1746231618 CJVMDOKFVQXBDZ-OAQYLSRUSA-N 446.580 4.801 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC#C)CC#CC 1748701281 FSBOVQVMGCQFIG-UHFFFAOYSA-N 427.577 4.643 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](OC)C(C)C 1749054324 RSDFQJRFRQDTPJ-HCLVMJGWSA-N 430.980 4.735 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)[C@H](C)CC 1749171179 RBNJNAAZBOLYBK-IMWIBFENSA-N 449.640 4.550 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1749213480 LIBPSYPLCVULOU-BWKNWUBXSA-N 437.588 4.758 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)c2c(C)noc2C)CC1 1749294037 LFCDQRNHXGKAOO-MRXNPFEDSA-N 437.544 4.527 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccon1)c1ccccc1 1749385462 QZNWOHPOKLHEDF-LJQANCHMSA-N 434.569 4.618 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C(C)C 1749540765 BEUOXEJRGPFHOI-FQEVSTJZSA-N 443.954 4.996 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCC([C@H]3CCCO3)CC2)nnc1C(C)(C)C)C(C)C 1749556746 ADCPFHSOWBIDRS-XZOQPEGZSA-N 443.680 4.670 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc(F)c(COC)c1 1749586058 KIZISTSZUHNTOY-UHFFFAOYSA-N 426.536 4.738 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CC=CCO1 1749592132 CUVKAYUJLLAZAS-INIZCTEOSA-N 444.988 4.797 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1760097605 HRCHJRCFYYQWDN-RYLXDESZSA-N 430.980 4.591 30 10 IJEE C#CCCCCn1c(N(CC)[C@H](C)C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142505 DWTNBDIQLROASE-NRSPTQNISA-N 443.636 4.867 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](CC)C1 1760145234 KNQPGCFQRNMPMV-QUCCMNQESA-N 430.980 4.717 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(Cl)s1 1760221302 RDPKTQHQUSDXCJ-UHFFFAOYSA-N 433.968 4.576 30 10 IJEE C=C(Br)Cn1c(N2CCC(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1760313429 AFRHAEZCBFGKQT-UHFFFAOYSA-N 433.394 4.877 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)o1 1760348162 WEXMVXMMTMPCMO-UHFFFAOYSA-N 435.297 4.564 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C(C)C)C(C)C)CC1 1760382639 VJUHGICNDMLWLI-HXUWFJFHSA-N 429.584 4.832 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760399960 ZQSYUNIXCRJOFU-LJQANCHMSA-N 439.604 4.911 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)C2CCCCC2)CC1 1760403057 DWSOWIZIQZUEKI-AREMUKBSSA-N 438.616 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760410684 NDZJPZCGDIAPAH-QGZVFWFLSA-N 437.510 4.799 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 1760422565 NJHDAJDZRHPEFA-GOSISDBHSA-N 428.577 4.954 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC)C1 1760437546 HJXGUWFZZRCIAB-LJQANCHMSA-N 434.588 4.829 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCOc1cccc(Cl)c1 1760487138 KCIBYTKGMGNPQU-KRWDZBQOSA-N 444.988 4.769 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1760492887 JYYXNNIRUMTGRZ-UHFFFAOYSA-N 442.498 4.893 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760560250 QQSOAUMKHKMPGP-RTBURBONSA-N 437.613 4.725 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)o1 1760564737 GGIKJMLBCVQOGU-UHFFFAOYSA-N 425.396 4.847 30 10 IJEE CC(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 1761085071 HIQDXOUTTKYGQB-IBGZPJMESA-N 430.597 4.526 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1[C@@H]1C[C@H]1C(C)C 1772516741 XTECRLJIUGTLAB-PKOBYXMFSA-N 431.367 4.844 30 10 IJEE CCCOc1ccc(/C=C2/SC(=Nc3ccc(O)cc3C(=O)O)N(CC)C2=O)cc1 1772761124 WORIDUMCLUUXHK-PTOVGEMASA-N 426.494 4.503 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@@H](COC(=O)/C=C/c3ccc(Cl)cc3Cl)C2)c1 1860081615 NTQAYXJCHKGKFY-UGAXZCSASA-N 443.330 4.974 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1862138942 ANSLQDAGVNLPAO-LBKOFNPBSA-N 438.955 4.638 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1862235783 PKQGCSVFLRTXKD-MRXNPFEDSA-N 436.396 4.823 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1Cl 1862381379 YOYGKZBIBPXHRY-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)c(OC)c1 1862384390 YAFJIJIONPBOCF-GOSISDBHSA-N 436.291 4.696 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478563 KCACLTKYTJWXIK-QFIPXVFZSA-N 433.504 4.994 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2C(=O)O)ccc1F 1862504071 LWLNRHGHHOOVCK-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1F 1862524234 ZZWONBUUBIOBQS-GOSISDBHSA-N 432.289 4.967 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2)cc1 1862556111 PGTZTZPYBKCXLY-WNSKOXEYSA-N 446.478 4.756 30 10 IJEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(O)c2)cc1 1862589260 HSWFYMPPCDUINB-FYSMJZIKSA-N 443.499 5.000 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCc1cnc[nH]1 1862613433 HZZQVVRBESHGNV-QHCPKHFHSA-N 443.547 4.837 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862619679 AKZKYPMSXCFLBJ-OAQYLSRUSA-N 433.504 4.535 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCN(C)C)cc1 1862721056 AUVLRUDPIUVFSO-RUZDIDTESA-N 440.543 4.802 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC(C)C)cc1 1862740340 QUPZXUOFJWLHPU-NRFANRHFSA-N 438.480 4.618 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862745068 AFNVDSTWZBCFQN-VFNWGFHPSA-N 438.480 4.760 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccc(Cl)cc2)C1=O 1862939295 GZSHTNWHIYYILU-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(N(C)C)c3)C2=O)c1 1863029534 CZBCXQVLFBSWKC-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE COc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 1863112721 HQZSQAXMEQHHHF-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1ccc(CC)cc1 1864760546 JPMKGUSQKQZRKU-NRFANRHFSA-N 438.616 4.716 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(Cl)cc2)c1 1870098147 PACQYCSFCZRXHT-UHFFFAOYSA-N 443.960 4.840 30 10 IJEE CCOc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Cc3ccccc3)cc2)cc1 1870149771 PAXMHLABDTYJGK-SFQUDFHCSA-N 449.514 4.780 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(CC)cc2)cc1OCC 1870153418 SCQLOSTVIIDOLC-UHFFFAOYSA-N 433.512 4.531 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(C#N)nnn1-c1cccc(Cl)c1 1870156686 ACMZLCRRMILFLL-SNVBAGLBSA-N 436.686 4.505 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1ccccc1CC 1871159042 DBFFPSVYDFRVCY-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871251172 RCHUSNLOZHPMSH-UHFFFAOYSA-N 431.536 4.564 30 10 IJEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)cc1 1871346367 BVEGHTWLNQEMHA-IWIPYMOSSA-N 443.499 4.851 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)cc1 1871424510 LUTPZIWSPJVKRY-SMNNTEATSA-N 443.499 4.876 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616622 SQQCYZWRBXBZFD-UHFFFAOYSA-N 441.668 4.924 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872409658 RBXUJKPNPURTHZ-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872556040 VYXLHHNKMTYBKZ-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)CCc1ccc(Cl)cc1 1873710484 GXMGUTTXXIMRSV-UHFFFAOYSA-N 439.968 4.662 30 10 IJEE Cc1c(CCC(=O)Nc2ccccc2C(C)(C)C)c(=O)n2c([nH]c3ccccc32)c1C#N 1873917357 PVGRDQZVWTXZGS-UHFFFAOYSA-N 426.520 4.830 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cc(C)ccc1O 1874207803 VNTGJZLQKJGSAF-CIAFOILYSA-N 431.359 4.640 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(Cl)c(C)c2)nnc1SC 1874229534 PIORYYHXUNHORO-YDZHTSKRSA-N 428.945 4.988 30 10 IJEE Cc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 1874274611 TWMSGCPRIYETBB-YNYZQSIGSA-N 447.608 4.875 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)c1 1874310902 TUQSTFUWYCIMHV-XIEYBQDHSA-N 432.549 4.882 30 10 IJEE Oc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874344748 DHYOWQRSTMBVDI-WGOQTCKBSA-N 448.523 4.919 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2)nnc1C1CCCC1 1874452679 HYXYQBGGIXPMBL-MFKUBSTISA-N 449.580 4.866 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(F)c1)c1ccccc1 1874485840 OVFORYDEBATLJR-MMDHUZEPSA-N 439.560 4.566 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccccc1Cl 1874497098 UGVRBRNJUNXJGJ-OEAKJJBVSA-N 434.009 4.822 30 10 IJEE C=C(C)CSc1nnc(CCC)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874507608 LZTNCINGVAOOKH-KEBDBYFISA-N 439.379 4.648 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)N(CCC)CCC)nnc1C1CC1 1874520287 ALXDQICLQLSCFP-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)o1 1874611689 PTLYXRJHBHMXLO-FMIVXFBMSA-N 436.460 4.949 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)c1 1875104289 PMPNDQYEVRTWLG-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE N#CC1(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCC1 1962343743 SUVOPQQFXPREMK-UHFFFAOYSA-N 431.536 4.505 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@](C)(C#N)C1 1984691171 VSFCKHHKRGVJLY-SQHAQQRYSA-N 445.563 4.702 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@@H](c4ccsc4)CS3)COC2)cc1 2006825552 MKKOJHXJBKZMSW-HSZRJFAPSA-N 449.645 4.953 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCOCCC1(F)F 2097097479 SXMCDKBSHAPNMM-KRWDZBQOSA-N 431.277 4.899 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCc2cc(Cl)ccc2Br)C1 2126626012 LZPQKZFGBIJZJX-UHFFFAOYSA-N 443.769 4.580 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1c1cccc(Br)c1C#N 2174810202 JMSCDAJTKXYKDT-KRWDZBQOSA-N 448.283 4.747 30 10 IJEE CC[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2174815424 SUYIZKHSIJXNFL-UKRRQHHQSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(c2cc(Br)ccc2C#N)C1 2174815733 WNPHWYRVYLTBIA-SJLPKXTDSA-N 434.378 4.937 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(OC)c(Br)c2)NCC)C1 2197747819 HBSYSRAAGGWDGD-GOSISDBHSA-N 439.394 4.592 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cccc(OC)c2Br)C1 2207356901 JJLHWWMPSGWYNT-SFHVURJKSA-N 439.394 4.969 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2214519743 GNGORSNVSBFITO-IBGZPJMESA-N 427.419 4.617 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]1C 2235720058 HAHMIXBWVNMTIF-ZWDAVXSWSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2235731454 QLXJUXOFRHKPOD-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CC1(C)OB(c2cc(NC(=O)OCC3c4ccccc4-c4ccccc43)ccn2)OC1(C)C 2241562282 LAUSHCNEUQIGFT-UHFFFAOYSA-N 442.324 4.742 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3CCCCCN(Cc4ccccc4)C3)CCC2)OC1(C)C 2255798953 YVMJXKSBDPTJGD-OAQYLSRUSA-N 426.410 4.564 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2261827441 GXAYGZNXODFONO-GGAORHGYSA-N 449.588 4.806 30 10 IJEE N#Cc1cccc(Br)c1NCCc1cccc(I)c1 2273830503 CGCNNFYRZDOOCL-UHFFFAOYSA-N 427.083 4.580 30 10 IJEE CC1CC(CS)(COc2c(Br)cc([N+](=O)[O-])cc2Br)C1 2280052707 TUBIQVOCTIDDID-UHFFFAOYSA-N 425.142 4.845 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1cccc(CNC(=O)OC(C)(C)C)c1 2296275906 BWKLXPBZVBYYKE-HXUWFJFHSA-N 429.358 4.786 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(Cl)cc2)cc1C 2296931443 MWPHMHTYNMXNTD-SFHVURJKSA-N 440.908 4.740 30 10 IJEE CCCCOc1ccc(C=C2SC(=Nc3ccccc3C(=O)O)N(C)C2=O)cc1OC 2314927221 BQNQASXPNFVWQC-UHFFFAOYSA-N 440.521 4.806 30 10 IJEE CCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccc2ccccc12 2321048324 CQBHBIHBMWSZNG-GOSISDBHSA-N 443.576 4.845 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2322698825 MIAOIAPLDDEJQG-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc(O)c2CN1CCN(c2ccc(F)cc2)CC1 2324036884 HQZOUJAKSPKLGF-UHFFFAOYSA-N 448.469 4.609 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324161698 FMBXSYSAGQOGNK-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C(=O)O)cc(C)c2C1=O 2325161885 RWGFOADHONVPSB-UHFFFAOYSA-N 443.455 4.635 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc1OCC 2325589359 IBJLQXYHCPMGSY-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2325737178 LVPNZYNQKMZIDJ-UHFFFAOYSA-N 442.515 4.949 30 10 IJEE O=C(CCCc1ccc(Cl)cc1)NC1(C(=O)C=Cc2ccc(Cl)cc2)CCNCC1 2328261682 JAGKAHAOFJIWMK-UHFFFAOYSA-N 445.390 4.837 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2328568721 ZLQABGSRJYULRA-UHFFFAOYSA-N 425.514 4.560 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1O 2328689847 GEHXUNJRSQWHMU-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(OC)cc1OC 2328857565 OBFFJVDKWXVBRO-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 2330968059 QLJXGNLLAMTWJI-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cccc(F)c1 2331326966 VQJMYYXAZKQJFG-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(Br)c(F)c2)OC1(C)C 2339400107 AFMGERGLTTWNPI-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578977 OQYCTPPLGSQZAO-CYYVBXFOSA-N 444.381 4.608 30 10 IJEE Cc1cc(CN(C)C[C@@H]2CCCCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369729656 PNNZITGYRFYZEW-VWLOTQADSA-N 448.460 4.781 30 10 IJEE Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3cc(C)cc(C)c3)c3ccccc32)cc1 3041268 FERGKYZGGHVCME-VYIQYICTSA-N 428.561 4.849 30 10 IJEE C=CCc1ccc(OCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c(OC)c1 33417773 DJVFQZGZQDYJSV-RCCKNPSSSA-N 441.574 4.713 30 10 IJEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3cccc(Cl)c3Cl)cc2)n1 59466579 NOTHNSYLYIBAEZ-SSDVNMTOSA-N 435.336 4.952 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C1CCN(CCC#N)CC1 62039310 DURKGHYMIXOSSN-UHFFFAOYSA-N 439.581 4.773 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCSCC2)cc1C 65378505 FQQFFXQMQBMYIQ-UHFFFAOYSA-N 426.542 4.677 30 10 IJEE CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)NC3(C#N)CCCCCC3)[nH]c(=O)c12 105668399 GIHCVQWXBYUEOI-AWEZNQCLSA-N 446.642 4.707 30 10 IJEE CCCOc1cccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2ccco2)c1 135684729 ASNLNBYGVMVCSG-MOBKVPTQSA-N 435.451 4.829 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 170081164 GXUMLIRNXVXTQB-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170129968 BTSJFGDLEXOKKF-HSZRJFAPSA-N 434.536 4.672 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1cccs1 170164140 VQLVXRSYQNWMKY-NRFANRHFSA-N 443.565 4.803 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccn2)c1 170174583 XGIGVAZYVWYDBD-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(N5CCCCC5)cc4)CC3=O)n2)cc1 170179937 YKFUSZRDABWJRL-UHFFFAOYSA-N 430.577 4.825 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2F)cc1C 170247627 ZCIJFGYHFCGAPX-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)cc1 170256873 QAJYDPXVQRGANQ-NRFANRHFSA-N 435.501 4.631 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)ccc1Cl 170289665 WTRPMODMZKNEKY-OAQYLSRUSA-N 448.862 4.986 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2cc(Cl)ccc2c1=O 251724555 ZINUTVZVVFQNKR-SPCJURDBSA-N 446.016 4.657 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1ccn(-c2ccc(F)cc2)n1 303871463 HWZIVNZBZNYGQJ-UHFFFAOYSA-N 439.491 4.799 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1OC)NCCC 406699914 JUISLPYIRUWWHA-ZWKOTPCHSA-N 441.410 4.838 30 10 IJEE C[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)sc2C1 435113355 JPQUWHYYEYDTJQ-HZPDHXFCSA-N 444.560 4.622 30 10 IJEE C=CCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCO2)c1ccc(C(F)(F)F)cc1 442059477 YWOJCNFUAOGFRN-IBGZPJMESA-N 432.442 4.793 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 460959714 NZTSPZFTJWBJBO-IBGZPJMESA-N 428.993 4.875 30 10 IJEE C=CCC[C@H](NC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 489738412 CJHMALZOXZALMZ-OALUTQOASA-N 446.535 4.712 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)[C@H](C)c1cccc(Br)c1 507532009 LQCOCMXJYWFMIK-OAHLLOKOSA-N 446.370 4.737 30 10 IJEE COc1cccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)c2c[nH]c3ccccc23)c1OC 507989438 OBNHVPDJPDPZMS-OAQYLSRUSA-N 446.551 4.652 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1 517982131 DDPZJAGHIJOSLT-UHFFFAOYSA-N 432.490 4.539 30 10 IJEE COc1cc(OC)c([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526488315 HXOKTDAPDZHKQQ-QFIPXVFZSA-N 448.500 4.703 30 10 IJEE COc1ccc(Br)cc1/C=N\n1c(C)nnc1SCc1cccc(F)c1 526824825 VTUGBTMRRYNZPR-FBHDLOMBSA-N 435.322 4.671 30 10 IJEE CC(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586210050 AAACWCRBNANNJX-UHFFFAOYSA-N 435.505 4.985 30 10 IJEE O=C(Nc1ccc(Cl)cc1)NC1CCC(OS(=O)(=O)c2ccccc2Cl)CC1 586505707 GIMLOGRADJXDAE-UHFFFAOYSA-N 443.352 4.832 30 10 IJEE C=CCC1([C@H](Cc2coc(Br)c2)NCCC)CN(C(=O)OC(C)(C)C)C1 722937495 FBZBOUNUYLTEKF-INIZCTEOSA-N 427.383 4.766 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 727122371 CJUFPNJVWXZOAZ-VDGAXYAQSA-N 442.560 4.501 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)C1CCN(c2nc3ccccc3s2)CC1 735349550 PPFJEVHAJKQZDS-UHFFFAOYSA-N 441.940 4.812 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1 735969691 NIUVCYWURBUSRK-GOSISDBHSA-N 447.919 4.547 30 10 IJEE CCCc1cc[n+](/C(C(=S)Nc2ccc(C#N)c(Cl)c2)=C(/O)c2cnn(C)c2)cc1 741240554 ZEKXABCRYGCCAV-UHFFFAOYSA-O 438.964 4.508 30 10 IJEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1sccc1C)c1ccc([N+](=O)[O-])cc1 1084479219 VOWVBVPSKWYRCF-QHCPKHFHSA-N 434.521 4.732 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](c3ccccc3F)C3CCCC3)CC2=O)cc1Cl 1126918854 GUEQLOOGKFVDIJ-HXOBKFHXSA-N 439.918 4.751 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cn1nc(C(F)F)cc1C1CC1 1129590955 LUNFHDDWAUMXGS-UHFFFAOYSA-N 426.261 4.664 30 10 IJEE CN(Cc1ccc(Br)cc1F)C(=O)c1cnn(CCC#N)c1-c1ccccc1 1132122146 BLECNLLINUUYME-UHFFFAOYSA-N 441.304 4.638 30 10 IJEE COc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1C#N 1132547422 CFEKJMOOTKXAQI-UHFFFAOYSA-N 448.319 4.701 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 1135470472 ZLJWMUIWFJQAGT-IBGZPJMESA-N 427.545 4.783 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)CCCC1 1140633889 PNXLQZACIQCBRW-UHFFFAOYSA-N 447.428 4.794 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)N(C)C 1142524148 OQLAAUUTHNVCIW-IBGZPJMESA-N 449.382 4.503 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1 1142681150 AAQXSELVKLXZPY-UHFFFAOYSA-N 431.467 4.887 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)ccc1O 1161335531 IIHYNDRKKLAUGB-UHFFFAOYSA-N 427.092 4.734 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(Cc2cc(F)ccc2F)CC1 1171098126 HRQQBLZTGREDEA-KRWDZBQOSA-N 429.486 4.694 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1ccccc1 1188361867 IXYWHRFTWCRLHI-QGZVFWFLSA-N 436.480 4.872 30 10 IJEE Cc1cc(Cl)cc(C#N)c1OCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 1189566773 DRRXBGBQFDUJJL-UHFFFAOYSA-N 428.201 4.747 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)cc1 1198251398 OLTOVLOVADOYSL-JOCHJYFZSA-N 439.581 4.642 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1OCC 1199678247 KXWIKBCEIURMKP-KZNAEPCWSA-N 439.438 4.869 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](OC)c1cccc(OC)c1 1219084791 ZFJAYTCZHMLDJH-IBGZPJMESA-N 435.318 4.532 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2nnn(Cc3ccc(F)cc3)c2C)C(C)(C)C)cc1 1269611638 HYLQQJWESDOCAF-UHFFFAOYSA-N 436.531 4.780 30 10 IJEE Cc1cc([C@@H]2CCCN2C(=O)c2ccn(-c3cccc(C#N)c3)n2)ccc1Br 1270575018 APBMOFWEKANAHY-NRFANRHFSA-N 435.325 4.792 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CCOCC1 1286314221 AXBURWMYRUSPHR-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCc1csc(C(C)C)n1 1286455120 BOSVDUKJKKUPCQ-UHFFFAOYSA-N 448.571 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCSC1 1286518762 JMZUZNJDJBDPQX-IEGUWTFLSA-N 428.577 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1Cc1cccc(COC(C)(C)C)c1 1286525748 ZNDNKMAHXYOXOK-HHHXNRCGSA-N 443.595 4.619 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(CC)[C@@H](C)C1CCC1 1286563760 DWYYLILLBBBFTR-WXVUKLJWSA-N 442.579 4.992 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCCCC2)CC1 1286621327 BWGWLMJEHDAFAM-GOSISDBHSA-N 447.986 4.764 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(OC)C2CC2)CC1 1286640941 PVVITJAEDMNYSR-NRFANRHFSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC=CCO2)CC1 1286655495 NCMLAVHJABITNX-KRWDZBQOSA-N 447.352 4.594 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1ccco1 1286745470 UMBNZBGWGMIYCN-RUZDIDTESA-N 438.547 4.843 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1N(C)C)C1CCCC1 1287696306 IFJJGCCBNSUUEU-UHFFFAOYSA-N 443.599 4.731 30 10 IJEE N#Cc1c(F)cc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1F 1290492909 GEQAAQLPSJKOLS-UHFFFAOYSA-N 428.442 4.678 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cccnc2)c1 1291634426 CWEROYNDZOIMKS-OAQYLSRUSA-N 425.529 4.849 30 10 IJEE C#CCOc1ccccc1CNC(=O)[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 1293534149 KBUADPQIMHZJIB-OAQYLSRUSA-N 440.584 4.522 30 10 IJEE C#C[C@H](NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)c1ccc(Cl)cc1F 1297712998 QAXOFHRNGZTNIY-INIZCTEOSA-N 442.899 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCCC1 1300275646 XNYWTZAJGQNKMQ-UNMCSNQZSA-N 437.632 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCc1csc(C(C)(C)C)n1 1300322508 ULBYTWQVLQYNDA-SFHVURJKSA-N 437.613 4.620 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OC(C)(C)C)CC1 1300391204 JEXTZGLYSCTZIU-UHFFFAOYSA-N 432.515 4.744 30 10 IJEE C#CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CCn1cccn1 1300392504 YSKMEOZIPHMKGL-UHFFFAOYSA-N 434.544 4.559 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(C)C)C1 1300422252 ITSZCZIDGMJJOU-QGZVFWFLSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H](C)N1CCC[C@@H](C)C1 1300816148 IZLIICOQIDINLW-UMTXDNHDSA-N 449.643 4.532 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1300887200 ALEGGUUEAACXSE-WIOPSUGQSA-N 449.574 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)c1nc(C)cs1 1300905805 FKAXPEJVIJAJSE-INIZCTEOSA-N 439.585 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1Cc1cc(C)nc(N2CCCC2)c1 1300920777 FJNKMHOQHNOBCC-UHFFFAOYSA-N 444.627 4.818 30 10 IJEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1300931462 ATTHCPSWZZVBJM-UHFFFAOYSA-N 435.494 4.658 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1300997750 YNEKZDWUCCXLGV-UHFFFAOYSA-N 443.539 4.715 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1301189632 YSBSMFWGRDEMFO-QFIPXVFZSA-N 428.024 4.943 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)CC1 1301260198 XZLKBILPFLFFCY-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1301438421 QZXZQSZDTKCNIE-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1301615329 LPDWXKYDJKGWIG-UHFFFAOYSA-N 447.530 4.838 30 10 IJEE C=CCn1c(SCc2cn(C)nn2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1307246257 SZVQIXKSKISTKR-HNNXBMFYSA-N 428.631 4.764 30 10 IJEE Cc1cc(C)cc(-c2cc(NC(=O)CN3CCC[C@@](C)(C#N)C3)n(-c3ccccc3)n2)c1 1307601383 HBVZXLLEDNZRPV-SANMLTNESA-N 427.552 4.720 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)c1 1310303621 XQAVBHNNCRIFJM-UHFFFAOYSA-N 443.341 4.674 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)cn1 1313513388 FDTIOJHKPMGTNE-RTBURBONSA-N 430.556 4.674 30 10 IJEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccnc(O)c3Br)c2C#N)C1 1349542311 FCPLAABOJNPTOJ-LBPRGKRZSA-N 448.386 4.815 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 1358432437 CHZPQGTZLCAWIU-HSZRJFAPSA-N 441.506 4.701 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC1CC(OC(C)(C)C)C1 1358942031 HGLCSMKMVDYQKS-UHFFFAOYSA-N 445.405 4.761 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H]1C[C@H](F)C1 1358988274 JSDXKHIWYLXEIS-UAPYVXQJSA-N 443.364 4.617 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1ncc(C)s1 1358998822 UMYFWOKREKMJQV-LJQANCHMSA-N 449.649 4.910 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)Oc1ccccc1F 1359014373 HCKNCEQCUHXBLV-NNMXDRDESA-N 442.579 4.653 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H](C)c1nc(C)cs1 1359016365 ACONYXOQHFFOAY-QGZVFWFLSA-N 425.577 4.824 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccoc1 1359049464 PTVJNYDWKMLSGX-INIZCTEOSA-N 430.961 4.667 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1ccco1 1359050332 NVUPCGXNICNJFL-UHFFFAOYSA-N 449.605 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1359090564 CRGOVWBSUHIENR-WPYKKVEZSA-N 426.605 4.706 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC1CC1 1359095863 SWHLNNBNNPGZSQ-OFNKIYASSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1359114731 WIIBCCMOANDTOK-IBGZPJMESA-N 443.555 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1359116295 GFRMUZBUKHXVDL-FBROZUCGSA-N 430.637 4.804 30 10 IJEE C=C(Cn1c(-c2cccnc2)nnc1N(CCOC)Cc1ccc(C)o1)c1ccccc1 1359137778 ANJBDIKMNFZMAC-UHFFFAOYSA-N 429.524 4.608 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CCC1CC1 1359154947 HQCPJVSXMBFPJE-UHFFFAOYSA-N 425.758 4.608 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@@H]2CCCCO2)CC1 1359160811 FEPIMNOXWUXALU-KRWDZBQOSA-N 449.368 4.962 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1359182212 WYZKMIQXCHFDTQ-SFTDATJTSA-N 426.630 4.832 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C1CC(C(C)(C)C)C1 1359255891 NWZFRLIRQYCZSC-UHFFFAOYSA-N 429.572 4.740 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1359289490 KPQPMCQCKIUWQK-IAGOWNOFSA-N 431.378 4.822 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H](C)CC#N 1359338970 NZUFUVIKUYDECL-ZDUSSCGKSA-N 438.370 4.504 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1cccc(OC)c1)[C@H]1CCOc2ccc(Br)cc21 1435176917 ZEURGMUQTFJBCF-WMJZSHNHSA-N 440.337 4.847 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 1443769007 MCHZDQSKZFSPSD-UHFFFAOYSA-N 449.378 4.961 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C)(C)C2(C)C)c1 1445079135 FSYLBCRVEVGTEC-UHFFFAOYSA-N 447.000 4.982 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1F 1449322756 YISNRZCCUXMHKD-KBXCAEBGSA-N 439.701 4.630 30 10 IJEE Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 1449461712 AZYOYCVITHOGKS-UHFFFAOYSA-N 430.213 4.604 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CCO)c2cccc(C(C)C)c2)n(-c2ccc(F)cc2)c1C 1460332559 BHPRKXQUAWGAPO-UHFFFAOYSA-N 448.542 4.666 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(-c2ccc(F)cc2F)on1 1461732098 UMQPXXISZPTQGT-UHFFFAOYSA-N 433.252 4.684 30 10 IJEE C#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 1463625410 KJGANKHPIZTLMH-UHFFFAOYSA-N 444.434 4.740 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1 1465272653 KCDHDAURSWWQLK-UHFFFAOYSA-N 432.476 4.881 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 1466816147 GRNCFIKJHZCEOG-QRQLOZEOSA-N 437.378 4.951 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 1467625450 JNURVPPXXUDFHC-OAQYLSRUSA-N 443.588 4.809 30 10 IJEE N#CCC1(CNC(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)CC1 1470012340 GYXUJKDOSGPWTM-UHFFFAOYSA-N 428.989 4.590 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 1470253771 SENPREWUCLZKAU-UHFFFAOYSA-N 434.433 4.888 30 10 IJEE C#CCOc1ccc(CNCc2cc(Br)c(OC(F)F)c(OCC)c2)cc1 1474151003 HMKDGBQVZKOHFF-UHFFFAOYSA-N 440.284 4.751 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 1476221115 OKCZHHZDFPRVHU-DEOSSOPVSA-N 449.576 4.994 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCN3CCC[C@H]3C2)cc1 1477042387 FZODOCVQPQYTLD-IBGZPJMESA-N 431.005 4.906 30 10 IJEE C=CCn1cc2ccc(NC(=O)Nc3cccc(I)c3C)cc2n1 1477121479 QGWLEQXRKNDZPN-UHFFFAOYSA-N 432.265 4.779 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2c(C)cccc21)[C@H]1CCOc2ccc(Br)cc21 1477828395 NVMFBRYQZHZXHN-RTWAWAEBSA-N 439.353 4.913 30 10 IJEE CC(C)(NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 1478220152 GXDUFBXSXKRLNM-UHFFFAOYSA-N 446.473 4.897 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCO[C@H]1CC(C)C)[C@H]1CCOc2ccc(Br)cc21 1478500494 YKNKALUBRFYHKJ-DYXWJJEUSA-N 449.389 4.511 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1 1478686373 YDSVYGFTSSCOMN-UHFFFAOYSA-N 440.543 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCC(C)CC2)cc1 1507663901 MNHVIELTCVTNCX-UHFFFAOYSA-N 441.579 4.594 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[C@@H]2CC)CC1 1507720323 JISUZYLVLZMDDX-JTHBVZDNSA-N 433.644 4.824 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1507745109 UAXYWNIXPYMDDH-IERDGZPVSA-N 445.430 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC1 1507795375 HYQPTJQGPPJMGI-MJGOQNOKSA-N 431.378 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1507817362 ITBNAXUPIKELCC-SJBKTWHCSA-N 443.661 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C)CC(F)(F)F 1507819266 YXIAQZGHRRFMIX-UHFFFAOYSA-N 448.537 4.723 30 10 IJEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1507861135 AXDRPVFNAUINNC-UHFFFAOYSA-N 434.931 4.817 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C)N(CC)CC)CC1 1507882776 WHBKPEIDWHJUKK-RBBKRZOGSA-N 425.621 4.922 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC[C@@H]2CCOC2)CC1 1507897791 QXNJRLXEDIKTFV-SFHVURJKSA-N 448.970 4.583 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2C1 1507952750 BJCDFOFHFPQHDE-NRFANRHFSA-N 437.588 4.879 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCOC[C@@H]1OC 1508015306 QRFNUNGZIATHAR-UXHICEINSA-N 442.629 4.505 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN(C(C)C)C1 1508018662 WRVXGTCLVVCRIE-NRFANRHFSA-N 446.599 4.899 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1508157845 HMZLXDDMSMZGGT-UHFFFAOYSA-N 436.629 4.594 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1509043023 BIGORBWKHSOCPT-GOSISDBHSA-N 435.601 4.639 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1 1515034990 GANHGDJKVWFTHA-GHTZIAJQSA-N 431.442 4.612 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)C[C@@H](C)O[C@H]2C 1517271048 RWXGXQYAVOCTOX-CABCVRRESA-N 425.550 4.888 30 10 IJEE C=CC[C@H]1N(C(=O)CCOc2ccccc2I)CCCC1(C)C 1519871121 SWIWAAIOBLBDOE-QGZVFWFLSA-N 427.326 4.653 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)c1ccccc1 1520011826 WCPXRYKJZFYXEP-HXUWFJFHSA-N 434.989 4.854 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 1522360550 RMOUBVPKIYAFTN-UHFFFAOYSA-N 433.474 4.664 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)c2C#N)C1 1523678293 DODRYIPHTADHGQ-PXNSSMCTSA-N 437.565 4.903 30 10 IJEE CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1=O 1524133230 DSNDOMAQNMYACQ-LJQANCHMSA-N 441.487 4.741 30 10 IJEE C#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C(C)(C)C 1525076647 VKCUWRSHUUFQLE-XMMPIXPASA-N 433.552 4.832 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)c1ccc(F)c(F)c1 1529492476 QGIXAPKEYMMEIK-WMZHIEFXSA-N 426.507 4.867 30 10 IJEE C#CCSCC(=O)Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 1530129980 KSRRQEXMUMFYSR-UHFFFAOYSA-N 435.320 4.556 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c(OC)c1 1532309679 JIJITUHDSFCDEV-UHFFFAOYSA-N 430.476 4.767 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1535364776 HRVNAPKWWFHJRN-GGAORHGYSA-N 442.600 4.822 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)c1ccc(Br)cc1 1535484064 VYHQGDLBCLCMQA-WBVHZDCISA-N 449.142 4.568 30 10 IJEE C=C(CC)CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1536091999 FGDVLCMXVWCYCW-OFVILXPXSA-N 436.552 4.579 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)c1ccccc1 1536283122 MXEURBKYEHGICT-SKPFHBQLSA-N 440.609 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1N(C)CCCC1(C)C 1538972138 JJOGGXDNSKXWDZ-WPYKKVEZSA-N 437.632 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1sc(C)nc1C 1538972767 LKQYIHDNYCQCGQ-ZBFHGGJFSA-N 444.004 4.845 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)Oc1ccccc1 1539245286 DANOYWDOKVQAQR-VQTJNVASSA-N 444.604 4.672 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 1539294758 LNPJULFKZTWCGV-SFHVURJKSA-N 429.314 4.635 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1ccc(Oc2cccc(F)c2)nc1 1539296573 RHBJAHVCNLYLFU-IBGZPJMESA-N 431.515 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cccn1 1539651234 CBOPLFBXNRDBEP-UHFFFAOYSA-N 447.356 4.536 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](OC)[C@@H](C)CC)CC1 1539859087 KBMOGWPFPJTHKV-AZUAARDMSA-N 430.618 4.797 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCSC(C)C)CC1 1539875894 YEVVWYYXXNDPLX-UHFFFAOYSA-N 438.439 4.590 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccccc2F)C1 1539917407 VBEREFWFHBSMBL-SFTDATJTSA-N 428.552 4.839 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1nc2c(s1)CCCC2 1540049008 FPFHXOAEOLCXEG-INIZCTEOSA-N 441.576 4.757 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1C[C@@H]1C 1540127056 NTLLNTPVPUFILC-XSEFMFLKSA-N 433.600 4.917 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CCOC(C)C 1540134596 VSSQEIJUFACWTB-UHFFFAOYSA-N 429.927 4.750 30 10 IJEE COc1ccncc1Cn1c(-c2c[nH]c3ccccc23)nnc1N(CCC#N)CCC(C)C 1555122657 HVUMLQXLHDQEQN-UHFFFAOYSA-N 443.555 4.644 30 10 IJEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(CCCC)cc3)ccc2C)CC1 1557169209 MRBSSWSSZBKUSB-UHFFFAOYSA-N 438.593 4.624 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@@](CC)(CO)C3)c2C#N)C1 1559776811 ARCAVWASLCXRRO-BXKMTCNYSA-N 431.646 4.584 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(CCc3ccc(F)cc3F)CC2)CC1 1559952269 FXUNPIRNOJDCDM-FAFRJYIDSA-N 431.571 4.929 30 10 IJEE Cc1c(S(=O)(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)sc2ccc(C#N)cc12 1561765281 BANDXFTZVUUYDZ-VBKZILBWSA-N 446.981 4.886 30 10 IJEE C#C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 1564996904 BITFCOSGYNQSKO-HXUWFJFHSA-N 437.893 4.807 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)Cc2csc3cc(C)sc23)n1 1584418956 NQNDFIBCWBFPRK-UHFFFAOYSA-N 447.636 4.566 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)cc1 1584680705 BNYUBCKWMMORAH-QGZVFWFLSA-N 449.322 4.812 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1586426068 JZWZFPXLPHAOMH-GOSISDBHSA-N 444.457 4.525 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1587798422 KFGKWJXNIPHZSF-JLLPCOHGSA-N 445.611 4.744 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2sccc2[C@H]1CC 1587818460 WKYALVAJWMLEHK-OAQYLSRUSA-N 436.581 4.951 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1csc(CC)n1 1589515779 RVJRJGBFUOUFSI-XMSQKQJNSA-N 437.613 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(O)CCC1 1589614638 AHVPJASFSMZDCZ-UHFFFAOYSA-N 439.785 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1 1589669501 XMIWWLJKTKWQFM-JOCHJYFZSA-N 431.005 4.894 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1593684360 VSNULBVURMLJMP-IPMKNSEASA-N 447.624 4.566 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1593747150 RECQCMWBQYIDGE-HXUWFJFHSA-N 442.604 4.818 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccc1F)C1CC1 1595026969 UQHLZTJRRNNCRM-UHFFFAOYSA-N 430.325 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1595142218 PIUPBGZGUXBWIV-AQNXPRMDSA-N 445.677 4.934 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCc1nccs1 1595149886 WWGOFNANKSZJPW-UHFFFAOYSA-N 443.001 4.947 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C)s2)C1 1595728751 DLJJKWTYSHXPBM-IBGZPJMESA-N 428.989 4.722 30 10 IJEE Cc1nc(SCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c(C#N)c(C)c1C 1598297729 HJNKNXOQUPVUMP-CYBMUJFWSA-N 446.498 4.930 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21 1598316193 MNDYYVJPVITWKR-PKOBYXMFSA-N 426.561 4.834 30 10 IJEE COc1ccc2ccccc2c1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 1625749789 DUITXJGJCUWMJD-UHFFFAOYSA-N 426.472 4.865 30 10 IJEE CN(C(=O)Nc1ccc(Br)c(C#N)n1)c1ccc(OCc2ccccc2)cc1 1626723597 BITKAGGBIFUAEC-UHFFFAOYSA-N 437.297 4.963 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccccc2Cl)CCCCC1 1632020656 WSGIRQYPHXSRPX-FQEVSTJZSA-N 432.992 4.965 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCC(F)(F)F)c1C 1632386025 JRUOMHGTSIMAIF-AWEZNQCLSA-N 436.858 4.911 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1 1634890627 DWGFUZXJACYMJG-QGZVFWFLSA-N 448.441 4.510 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C1CCOCC1 1637128853 RTPCXHWDFJSTRB-OAQYLSRUSA-N 448.897 4.980 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1638664711 ZMZIJFATTQHLBF-QFIPXVFZSA-N 442.531 4.971 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(OCc4ccccc4)c3)n[nH]2)c1C 1641597575 ONGVEOOBGGBKLL-UHFFFAOYSA-N 427.508 4.907 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(=Cc2ccc(F)c(F)c2)CC1 1645382786 GZGMZNJIICTTCF-AWEZNQCLSA-N 427.520 4.893 30 10 IJEE C=CCC[C@H](C(=O)N1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1647927836 KMTPLOJESOZXMC-IRLDBZIGSA-N 442.600 4.753 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)CN2CCC(C)CC2)cc1OCC 1651321714 ALXUDOOQTKNNQK-KRWDZBQOSA-N 425.411 4.623 30 10 IJEE C=C(CSc1nc2sc(CC)c(C)c2c(=O)n1Cc1ccc(C)cc1)C(=O)OCC 1651674447 PHFPIKXFGWILNC-UHFFFAOYSA-N 442.606 4.897 30 10 IJEE C#CCN(C(=O)Cc1csc2sc(C)cc12)C1CCN(C(=O)OC(C)(C)C)CC1 1651973729 UTVMUALICNJZGG-UHFFFAOYSA-N 432.611 4.675 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)ccc1C 1652465029 NSGNMXMSDUHXOO-IBGZPJMESA-N 435.593 4.908 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1OC 1663210526 LEUFFLYGXAOBOT-KSZLIROESA-N 436.980 4.791 30 10 IJEE CC1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)c2cc(Br)ccc21 1663545429 DICCSKGSHPRXMU-UHFFFAOYSA-N 439.762 4.851 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1667099220 PPFFSPJHRPYGKI-QGZVFWFLSA-N 433.430 4.508 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCSCCC(F)(F)F 1672214438 OKTZLQQWRIAEQT-UHFFFAOYSA-N 427.286 4.821 30 10 IJEE CCOC(=O)c1c(NC(=O)NCc2ccccc2Oc2cccc(C)c2)c(C#N)cn1CC 1672913454 HOIUXSRUUIUJIB-UHFFFAOYSA-N 446.507 4.979 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)[C@H]1CCCc2ccccc21 1674413262 UDZFTLYNIIZYGT-VXKWHMMOSA-N 437.584 4.641 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCO[C@H]1CCCC[C@@H]1C 1675838086 MNVAIWIHOANAIN-KXBFYZLASA-N 427.358 4.881 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](OC(C)C)c1ccccc1OC)c1ccc(Br)cc1 1681620592 HPLRJJYKMBJVCP-CTNGQTDRSA-N 445.357 4.598 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C2CC2)C1 1689881644 XSOOYHDATUPAGL-MRXNPFEDSA-N 431.353 4.887 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCc1cccc(C)n1 1689974020 YUNFEDQYTOMSFX-UHFFFAOYSA-N 431.584 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cccs1 1690238120 FQDPMRAAZZMNNT-XLIONFOSSA-N 439.541 4.532 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1690397264 ZJXBIBTVMGVEHM-YTZAWJCFSA-N 430.568 4.757 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1690444973 PFIDJIZSOXHNDC-SFHVURJKSA-N 440.473 4.794 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 1690445157 SBFKGSGNKNCAFH-HXUWFJFHSA-N 449.624 4.661 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC=CCC1 1690593263 YXPOZQVKPQSENG-FQEVSTJZSA-N 444.583 4.600 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CC1(c2ccccn2)CCC1 1696772647 CJKSIWLYIUMISV-UHFFFAOYSA-N 440.473 4.722 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCc1nccs1 1705484675 UCYRNZMJBLRPAJ-GOSISDBHSA-N 447.564 4.664 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCCC(F)(F)C1 1705624032 NZTCMBXSPMJXCD-FQEVSTJZSA-N 430.543 4.809 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1ccc(OC(C)(C)C)nc1 1705673809 NFCXWKJVOWPLEP-RUZDIDTESA-N 433.531 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)CC1CCC1 1705696737 IMIRQTZJTZGJEI-CVDCTZTESA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccc(Br)o1 1705727461 GLLIASDSQPRDKW-UHFFFAOYSA-N 445.361 4.988 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](OCCC)CC1 1705733121 JCBVWQDZLKFFCB-JOCHJYFZSA-N 449.599 4.872 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1N1CCCC1 1705756890 RPBNEPAQQLKJCW-UHFFFAOYSA-N 443.020 4.623 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1705764818 OGANKDXZWMSISV-FQEVSTJZSA-N 446.437 4.840 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)c1ccccc1 1705796289 CCXMYBAGBFUTMY-DNVJHFABSA-N 438.616 4.611 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cccs1)c1ccccc1 1705796810 KRLFQMVKSBVYFT-SXLOBPIMSA-N 435.597 4.848 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)c1ccccc1 1705797080 PQGJMVOSRYGERN-ZEQRLZLVSA-N 447.631 4.886 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H](O)C1 1705865349 KBESUKSGADDRCZ-SJLPKXTDSA-N 444.004 4.799 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2 1705879465 ZPQJHRXDYCOPQK-UHFFFAOYSA-N 442.947 4.703 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCS[C@H](CC)C1 1722312695 JZERVAPKQZHWPF-MRXNPFEDSA-N 433.419 4.843 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cc(C)on1 1722314929 RQGLZFXMGBHPJT-UHFFFAOYSA-N 442.361 4.752 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCC1(C)C 1722431614 NBNPWZRUWADUJG-LJQANCHMSA-N 446.599 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCc1cccs1 1722467412 AZAHDNBSHBNCGQ-JOCHJYFZSA-N 428.508 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](C(C)C)N1CCCC1 1722470610 JEICHZDFBUJVFR-XUZZJYLKSA-N 426.008 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1722501401 PLTXFOBVCUMKOV-BEVDRBHNSA-N 434.943 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C 1722502314 IDWRAOLJSNOTLT-URXFXBBRSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CC(C)(C)CN(C)C 1722512703 IFWWZBAQGAGKOD-UHFFFAOYSA-N 434.426 4.698 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCc2cccs2)CC1 1722521552 UQROFNUNCOBSIJ-UHFFFAOYSA-N 428.005 4.601 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722544211 FQMHMHNRRRGBAM-MRXNPFEDSA-N 446.363 4.862 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)N(CC)CC)CC1 1722560989 MCGDQYBVAUHAET-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(Cc1cccc(F)c1)C(C)C 1722601474 XIVNWTPZLPPPJZ-UHFFFAOYSA-N 439.535 4.916 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1722602450 AXZBBNRBTZVEOD-OAQYLSRUSA-N 433.531 4.935 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1722616561 XSSFKZCPOMNDHM-UHFFFAOYSA-N 444.693 4.909 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1740568968 WOABXNFHSSRJFM-UHFFFAOYSA-N 445.611 4.998 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@](C)(CC)C1 1740569871 LBLDUBYAPULWQW-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)[C@H]1C 1740582794 IJTAMJCOGVGTFT-KGLIPLIRSA-N 437.382 4.590 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCSCC(F)(F)F 1740599600 ASEGTHRNOLWPPC-UHFFFAOYSA-N 447.530 4.718 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1740641682 NPGQEOKZGKFFHZ-LJQANCHMSA-N 430.930 4.811 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H]1CCCO1 1740711470 OOKBMPJLLYLSSP-OAHLLOKOSA-N 447.029 4.795 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1740713219 IUDVVASAKXNGAO-OAHLLOKOSA-N 429.952 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOCC(=C)C 1740725501 MUYCGZLEEVGSIJ-HHHXNRCGSA-N 443.595 4.937 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H](CCC)OC 1740726792 OLCDUKYZJVQSOI-AUUYWEPGSA-N 437.407 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1ncccc1C 1740726942 UNMSCPPAQFRSTR-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OC)C(C)C 1740726964 VCVJYBSTZQLMHA-WVMBUTMQSA-N 426.630 4.795 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCCCCC1 1740756990 RYDJCOMXHFKVEB-AUSIDOKSSA-N 440.588 4.714 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCCc2sccc2C1 1740797333 NZOPHGKHUZTRGG-UHFFFAOYSA-N 438.597 4.773 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1740843844 RCQCUMYYFNYJLX-ICSRJNTNSA-N 442.007 4.843 30 10 IJEE C=CCCCn1c(N2CCC3(CCC(F)(F)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740881235 BUDZGRRAMIJMGF-QFIPXVFZSA-N 438.563 4.691 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCO[C@@H]1C(C)C 1740918362 OUBSXXQCHVQHOJ-WXFUMESZSA-N 438.616 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CC 1740922645 NWFALWVJLOXERM-NRFANRHFSA-N 432.597 4.555 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1740929270 NPFDJHPDMZRPGK-UHFFFAOYSA-N 434.544 4.847 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1C[C@@H](F)c1ccc(Br)cc1 1740932050 FWGVJZSAYWMEDQ-PKOBYXMFSA-N 449.368 4.824 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1c(F)cccc1SC 1740936634 CZFFSJNATOWDGN-HXUWFJFHSA-N 442.560 4.867 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 1741004494 CCNNFFTUVSMZLD-XUZZJYLKSA-N 442.629 4.579 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1C1CC1 1748643006 SNCWUBAXMJRVFB-BBTUJRGHSA-N 442.007 4.546 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1CCN(CCC(C)C)CC1 1748657569 DYNNVVHFDNWBDU-OAQYLSRUSA-N 444.627 4.709 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(OCc2ccccc2)CC1 1748712456 HXNAVJDTNPXEKG-UHFFFAOYSA-N 429.568 4.638 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1749047217 QVWKCYWVCGQTEN-GOSISDBHSA-N 431.005 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1749060972 HDQKRRXSDPOTEK-HEKZAOSPSA-N 449.599 4.583 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(CC)[C@H](C)C1CCC1 1749110758 VHZWELABMVECGU-MRXNPFEDSA-N 449.393 4.789 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1749148192 ZGMYYNARSIYWFQ-IBGZPJMESA-N 443.592 4.659 30 10 IJEE C=CCCCn1c(N2CCC[C@H](CNC(=O)C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1749439608 DXTLBNWIRAMFPA-JOCHJYFZSA-N 449.643 4.703 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCCC2)C1 1749692777 AKCHIMNFHVXEJA-GOTSBHOMSA-N 437.632 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCc2nc3c(s2)CCCC3)C1 1749712927 NEZHZHLJXFXUFL-SFHVURJKSA-N 443.661 4.616 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749754341 KSIDWONNXUFTTL-QFIPXVFZSA-N 442.629 4.832 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](OC)C(C)(C)C 1760122363 KKTBCJMZLCYKSS-DENIHFKCSA-N 426.605 4.808 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)N(C)Cc1ccccc1 1760172824 AATUCOROPBDKRB-WOJBJXKFSA-N 447.652 4.721 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCSC1(C)C 1760210073 MAGQCDXTRYTZFR-RBUKOAKNSA-N 440.588 4.552 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCSC1(C)C 1760336585 CNNPQLXTKKPIDL-FXAWDEMLSA-N 428.602 4.725 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CC=C(C(F)(F)F)CC1 1760351819 MOMGEJQPYHLWCK-UHFFFAOYSA-N 432.446 4.983 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1CCC(C)CC1 1760367246 GAHIELGFKKJWBC-UHFFFAOYSA-N 434.968 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)cc2)CC1 1760397797 CGKVFUYNUOLISX-UHFFFAOYSA-N 444.352 4.636 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(Br)cc2)CC1 1760400283 UYZVEUKBZLTLGN-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1760410453 FORMFCJAIYEJMQ-UHFFFAOYSA-N 445.611 4.764 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1760446328 OBDRPVZYUNZBGV-SFHVURJKSA-N 448.970 4.583 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(F)(F)CC1 1760446447 RVFDYJBEOPEMOX-UHFFFAOYSA-N 441.320 4.536 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](c1cccnc1)C(C)C 1760454221 AOBDZNXKQWIKOF-OAQYLSRUSA-N 427.556 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1CC1CCC(F)(F)CC1 1760501613 WVGMHUXLROYSLG-UHFFFAOYSA-N 441.526 4.918 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CC[C@@H](C)N1CCCCC1 1761531940 GLQNRABUFZNIQA-AQNXPRMDSA-N 442.583 4.560 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)c(C)n1 1764136221 AVLCJZHAHHCPPX-MOPGFXCFSA-N 431.588 4.652 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1772543360 IFGPXODEDQHXNR-QGZVFWFLSA-N 441.576 4.975 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)c3ccccc3F)c2)sc2c1CCCC2 1860094042 FTVSOIJSWJEENR-UHFFFAOYSA-N 449.507 4.907 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862422316 BJEJDRHEUGYSQH-NRFANRHFSA-N 445.462 4.747 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2C(=O)O)cc1 1862477818 SEOVOUQPTJYITH-NRFANRHFSA-N 447.512 4.576 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Br)ccc2F)cc1 1862484476 NSGYEBARVUIMKC-GOSISDBHSA-N 430.273 4.637 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)cc1OCC 1862497546 MVPMKXURWLXTAO-HSZRJFAPSA-N 435.520 4.842 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2Cl)ccc1F 1862502568 DGCPCDYMTHCLDD-NRFANRHFSA-N 436.870 4.961 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862518020 AIRNJOZGQOLKMJ-OYHNWAKOSA-N 439.508 4.566 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)ccc1O 1862585834 FQBWCQWASWGXIQ-GOSISDBHSA-N 436.291 4.696 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862593272 RBEYBYOAADRIAO-HSZRJFAPSA-N 442.515 4.863 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cccc3ccccc23)cc1 1862666809 MKQNAEAXPUXPPA-XDHUDOTRSA-N 429.516 4.922 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862676344 HHVKEKKOSRNHKG-IQVOZAENSA-N 438.455 4.891 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1862796703 BVKPGDPNMRYZMS-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CSc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862927651 YZMSAQLVGMRRBR-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE COc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863076680 VHZNUGQZNPRMLD-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866974166 PPMURVLEJVBESZ-UXHICEINSA-N 442.357 4.594 30 10 IJEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)COc2ccc(Cl)cc2Cl)cc1 1870145980 YXTUCUCLWBQIAT-UHFFFAOYSA-N 444.322 4.761 30 10 IJEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870812780 ZGARPOARIYTSGC-UHFFFAOYSA-N 437.927 4.685 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870813801 DGTYXBQDDHMFTF-UHFFFAOYSA-N 445.563 4.769 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1ccc(C)cc1 1871198591 XOAAXPKWZIVJKC-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(CCc1nc3ccccc3[nH]1)CO2 1871348606 ITEVQFVGAQGVPB-UCQKPKSFSA-N 437.499 4.882 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)COc3ccc(C)cc3)cc(C)c2C1=O 1871370382 YYPXTKHIOVSQES-QRVIBDJDSA-N 430.456 4.913 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(F)c1)C2=O 1871392717 ODEUKGFMZXUJPM-STZFKDTASA-N 441.499 4.621 30 10 IJEE Cc1cc(O)c(CN(CCO)Cc2ccccc2)c2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871393966 VODVIEKCAXKNJV-UCQKPKSFSA-N 449.934 4.965 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871420564 CXSKTHXHZOJFJZ-FBHDLOMBSA-N 448.406 4.676 30 10 IJEE COc1ccccc1CNC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871433888 HINQACVSFILCIS-CFRMEGHHSA-N 443.499 4.623 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)CCCC 1872266060 QRTWQGRNNUGTRH-IBGZPJMESA-N 432.989 4.984 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872515494 XOPODPWHXKYZIC-JOCHJYFZSA-N 428.598 4.823 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)C1CC1 1872578615 AKOQDRIIOUJDJF-QHCPKHFHSA-N 449.661 4.565 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCc1ccc(C)cc1)n2CCCC 1873580986 RNFOCLOZBOEHJN-UHFFFAOYSA-N 431.584 4.691 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(C)cc1 1874211046 JWTJXWWDAMRKSD-RVWJGDDESA-N 445.592 4.653 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1cccc(OCC)c1 1874289139 ZWTSSHFFANUHDL-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccncc2)cc1 1874304891 WBORBLZBCZEROH-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc2c(c1)OCCO2 1874324175 CDSYLTTVZOTIKG-ZVHZXABRSA-N 438.553 4.629 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1c(F)cccc1Cl 1874440479 CXNRZXZRTXUDAM-AUEPDCJTSA-N 440.972 4.833 30 10 IJEE CCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)OCC(C)C)cc1 1874440726 PXPQYORWJHLJAH-ZVHZXABRSA-N 446.617 4.829 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c(O)c1 1874463310 CGZJEWCTEPYKJC-HCGXMYGOSA-N 446.813 4.675 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccco2)cc1 1874463875 GNURZQRDUVEFIW-BUVRLJJBSA-N 431.521 4.714 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccco2)cc1 1874465405 HQSVVIKPAUSIEO-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE C=CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874496212 AJSCXIVPKFTFCF-PCLIKHOPSA-N 448.548 4.934 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)cc1 1874522377 QCSJTGFBCYWUQU-FSJBWODESA-N 427.961 4.724 30 10 IJEE COCCc1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1874559811 QCDNPWZAMWTJBQ-SSDVNMTOSA-N 437.352 4.524 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c1 1874580724 CSEMGGCKGRXTMT-NTUHNPAUSA-N 435.451 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OCC(=O)OCC(C)C 1874609056 VQBQOKUUBBXAFI-ONNFQVAWSA-N 447.325 4.932 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1Cl 1874639961 WNLZGCWCJMCOEC-RMKNXTFCSA-N 448.899 4.594 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(Cc3ccc(C)c(C)c3)nnc2s1 1874781261 YEIXEQCUKSSQMC-UHFFFAOYSA-N 427.618 4.803 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875088270 RQVXVMNRDKUXIE-SGQUHAKNSA-N 445.855 4.627 30 10 IJEE Cc1noc2nc(C(C)(C)C)cc(C(=O)NCC#CCOc3cccc(C(F)(F)F)c3)c12 1890821139 XPZSOPYCBBCCOL-UHFFFAOYSA-N 445.441 4.660 30 10 IJEE C=C[C@]1(Oc2ncc(Br)cc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1903494435 NVYXUTJZRHXVFQ-INIZCTEOSA-N 437.256 4.807 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]2C[C@H]21 1907794458 VFSKBBOQDQVUEM-YZZKKUAISA-N 431.508 4.859 30 10 IJEE Cc1cc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1C#N 1951477108 RLILIQZFNCIQGD-VWLOTQADSA-N 440.499 4.791 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1962796572 MAAIEKLOAFDMKY-GOSISDBHSA-N 437.378 4.956 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(c2cc(Br)c(C#N)cc2F)C1 1965555024 WHFXTLDFSFBBHN-ZDUSSCGKSA-N 426.330 4.591 30 10 IJEE C=CCN(C[C@@H](Cc1ccc(Cl)c(Br)c1F)NC)C(=O)OC(C)(C)C 2047973366 LZLCVAQBPNBLLG-CYBMUJFWSA-N 435.765 4.795 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(F)c2)C(C)C)c(I)c1/C=N/O 2079087062 FAQNONAKLZGVGW-UGNSCYDZSA-N 429.277 4.551 30 10 IJEE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1C 2080056403 STQJWGIOGWYMQA-OAHLLOKOSA-N 443.235 4.619 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1F 2080106225 VVBDCUYWEXPRLG-QGZVFWFLSA-N 439.272 4.630 30 10 IJEE CC(C)c1nn2c(Cl)cc(-c3c(F)cccc3I)nc2c1C#N 2081397857 UTFBEUQNSQRLGK-UHFFFAOYSA-N 440.647 4.788 30 10 IJEE C=CCN(CC[C@H](NCC)c1c(Br)cnn1C(C)C)C(=O)OC(C)(C)C 2099293854 YHSRTEBOVAAJSI-INIZCTEOSA-N 429.403 4.690 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCCC 2145540172 ATSYHYVKRMPHMK-WOJBJXKFSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2ccc(C#N)c(Br)c2)(C(F)(F)F)C1 2167669571 CUUIZWIGMIMYDM-KRWDZBQOSA-N 448.283 4.922 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OC)c(Br)c1OC 2183072789 FKWYTJYWJPSBIZ-PBHICJAKSA-N 443.382 4.586 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2cc(Cl)cc(Br)c2)C3)OC1(C)C 2194124297 KXLVMODUPBWQGT-YJYMSZOUSA-N 440.574 4.801 30 10 IJEE C=C([C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(F)(F)F 2229111515 XVRIAYXITQWKGW-LSDHHAIUSA-N 437.300 4.591 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1CCC(NC(=O)OC(C)(C)C)CC1 2235717712 BJGRRSMAZOWJKF-AFMYVXGZSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CC=CC1 2235725371 WSKPIVWHAMXKPL-IBGZPJMESA-N 433.390 4.782 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 2235748164 XFNQONRQJLLGDG-UZLBHIALSA-N 435.406 4.957 30 10 IJEE C#CC1(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CC(C)C1 2244942714 XWGBCXRUOYKZAU-FCEFNVJASA-N 444.575 4.858 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)c(OC)c2)C1 2266709337 SXRRJLJWKSKCRL-QGZVFWFLSA-N 425.367 4.722 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)C(=O)C#Cc1ccc(Br)cc1 2278804553 YLZHHDFJIAQGNL-INIZCTEOSA-N 440.403 4.795 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2296219051 KLRCWBACYCAFTB-YZGWKJHDSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(O)C#Cc1cccc(Br)c1 2296220022 UIBQLDRMFSKPAV-BMUJQCINSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)C#Cc2cccc(Br)c2)cc1 2296231597 FYSWVPMFIRKWSB-UHFFFAOYSA-N 428.326 4.751 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296268719 IENHBUCFMOKIMX-QLOJAFMTSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@@H](O)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296278068 ZXTYGOAXRFGQPO-PGRDOPGGSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(N)(C#Cc1cccc(Br)c1)CC2 2296282339 VRDJPLQSAWCBCN-PPNDLDFTSA-N 433.390 4.603 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2296283588 IITOYHWMLGHPGH-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](O)C#Cc3ccc(Br)cc3)C[C@@H]21 2296284063 MXNMSVQDQVGEJL-QGZVKYPTSA-N 434.374 4.587 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2ccc(Br)cc2)CC12CCCC2 2296290649 FXDDPYFQICVAIT-HKUYNNGSSA-N 433.390 4.698 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2296295411 CNTACIZCZPJIIW-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)CC1CC1 2296310496 KMDHOMBWJNLDQZ-ICSRJNTNSA-N 435.406 4.720 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC12CCN(C(=O)OC(C)(C)C)CC2 2305322822 OYPWECOUHBWDMO-RUZDIDTESA-N 428.573 4.699 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CC2)C1 2305326182 SXWFXJCXSLHOMQ-BWKNWUBXSA-N 428.573 4.698 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@@H]1C[C@H]2NC(=O)OC(C)(C)C 2305402925 KAIDLQCINXETNM-QTDDQOEGSA-N 428.573 4.601 30 10 IJEE COC(=O)c1sc(NC(=O)C=Cc2cc(Cl)cc(Cl)c2OC)c(C#N)c1C 2313656978 HWTSFRMHHVMIMR-UHFFFAOYSA-N 425.293 4.682 30 10 IJEE CC(C)(C)C#CC[S@@](=N)(=O)c1cc(I)ccc1Br 2316472667 OAKVWHCVRLXBOI-GOSISDBHSA-N 440.144 4.509 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc(OC)c1O 2320879202 KJXUOWHBQGRQCG-UHFFFAOYSA-N 444.944 4.706 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2321511140 LCCWWNQIGGEHOX-OALUTQOASA-N 445.560 4.655 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)c(Br)c1OCCO 2323047733 RWLYCDHWRQXBHI-UHFFFAOYSA-N 427.294 4.878 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C(CC)CC)cc(Br)c1OCC 2323485886 ABPLHGBLEXSVDG-UHFFFAOYSA-N 441.395 4.913 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(O)c3CN3CCC(N4CCCCC4)CC3)C2=O)c1 2324209994 BWFKQDDCJNHQGC-UHFFFAOYSA-N 432.564 4.767 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Br)cc1 2325610266 MFWXQJJYSKOIRG-UHFFFAOYSA-N 427.067 4.572 30 10 IJEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2325628009 VDWMPVZXKLNIQU-INIZCTEOSA-N 444.443 4.925 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2sccc2C)cc1OC 2325889046 FIJJGLVHEGKCJJ-UHFFFAOYSA-N 430.599 4.835 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(C)cc1 2326878777 AHBHYWOTICXXRK-UHFFFAOYSA-N 426.542 4.872 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCCCO)nnc2[C@H](C)c2ccccc2)cc1 2330132553 CGNCYQVVQMDDJD-LJQANCHMSA-N 438.597 4.966 30 10 IJEE CCOc1c(Br)cc(C=Nn2c(SC)nnc2-c2ccccc2)cc1OC 2330621747 RBNFMUFOSBMGRK-UHFFFAOYSA-N 447.358 4.719 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2330638315 ZXVQUHYNIRDTMX-UHFFFAOYSA-N 440.408 4.503 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccn1C 2330665045 FTOLSPIWGHIODP-UHFFFAOYSA-N 444.564 4.513 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1OC 2330718448 FYAIOERKJSVSCJ-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCCO)cc1OC 2330869018 XWQLTFJPJVYHSI-UHFFFAOYSA-N 448.633 4.801 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(C(C)(C)C)cc1 2331154503 UNMUQUFSPITXEW-UHFFFAOYSA-N 442.507 4.768 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc2c(c1)OCCO2 2331396548 MOFLPSRNRZTVIU-UHFFFAOYSA-N 440.373 4.990 30 10 IJEE CC(C)(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(F)cc1 2331402734 LBUZSQNJNQHTKU-UHFFFAOYSA-N 436.516 4.538 30 10 IJEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCc2nc(O)c3ccccc3n2)cc1 2331467521 ZRQOBFBCRRJSEL-UHFFFAOYSA-N 432.553 4.608 30 10 IJEE CC1(C)CN(Cc2ccccc2)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582746 RPRBOQMYGNXBNY-UHFFFAOYSA-N 433.405 4.827 30 10 IJEE Cc1cc(CN[C@H]2C[C@H](OCc3ccccc3)C2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343597659 XGFJQDPOTVHAGU-ZEQRLZLVSA-N 435.417 4.768 30 10 IJEE COc1ncc(Br)c(C)c1[C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2368181578 DMQPEIHKRVNACK-ZDUSSCGKSA-N 439.314 4.663 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 21752771 HDFZXBLCTNLXQU-UHFFFAOYSA-N 438.572 4.976 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S/C1=N\c1cccc(O)c1 33768808 JCXXXFJACBHGHB-YIGGXCJMSA-N 449.454 4.557 30 10 IJEE C=CCc1ccccc1OCCn1c(CCNC(=O)c2cccs2)nc2ccccc21 40199171 ZIQNWJCGSVEGIE-UHFFFAOYSA-N 431.561 4.878 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 41285232 OKWYWXSLNABLDN-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2ccccc2Br)n[nH]1 59892189 QTERGLGXTPHNKL-CIAFOILYSA-N 439.383 4.522 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(OC)cc2)cc1 102611032 IKUXGISHKUBTGF-RKKARLDVSA-N 449.890 4.984 30 10 IJEE CN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 105534498 MMQZGRCMLLBUDK-OAHLLOKOSA-N 442.755 4.919 30 10 IJEE CN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 105534500 VLGVCVJVSXCEGN-OAHLLOKOSA-N 442.755 4.919 30 10 IJEE N/C(=N/O)c1ccc(CNc2ccc(Br)cc2Br)c(Cl)c1 163227035 BLGFDIWNTVVRMJ-UHFFFAOYSA-N 433.531 4.572 30 10 IJEE CCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cc(=O)[nH]2)cc1Cl 169897244 ZJOXUSFUZLHSHF-KSEXSDGBSA-N 433.295 4.597 30 10 IJEE CCCCCOc1c(OC)cc([C@@H]2NC(=S)N(CCC)C(C)=C2C(C)=O)cc1[N+](=O)[O-] 169930459 QBIWZWRHUDONKY-FQEVSTJZSA-N 449.573 4.677 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cccc(F)c1 169940375 VEFQTDBUEFCBHJ-IBGZPJMESA-N 438.480 4.691 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccccc1O 169942657 AMXZMFYWPPIXIB-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccn2)cc1 169998395 PVJKHGLCDFXYNU-QHCPKHFHSA-N 430.479 4.604 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170038863 FLUWLUFIQAPMHT-QFIPXVFZSA-N 435.451 4.904 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170042270 JZYWCVAFORKMTF-NRFANRHFSA-N 441.911 4.965 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCN(C)C)cc1 170068332 MUINQNZEUVZOTK-DEOSSOPVSA-N 445.563 4.821 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1 170096388 MGGDJZFWZCIZCW-NRFANRHFSA-N 437.879 4.763 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)c1 170099645 RHQPBUGOKWFBOO-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 170113155 AAHJBFYKUVDGFM-XMMPIXPASA-N 445.515 4.852 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2)cc1 170114458 AEUJNDWUHPPKBI-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccc(O)cc1 170137041 GGMBYZKYJAGFJO-QGZVFWFLSA-N 436.291 4.696 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)c1 170170085 MZKCKNRSCIKTQN-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@@H]3c3ccccn3)oc12 170170702 WDGVDPHVVDUKMH-JOCHJYFZSA-N 440.455 4.928 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)c1 170227918 FJHYMJPKGHDVTR-UPCLLVRISA-N 441.483 4.807 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3cccc(O)c3)ccc2O1 170261970 PPMUIUBOZMWCSI-NPMXOYFQSA-N 433.504 4.627 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@H]1CCCO1 170273606 FRZGTJHMRYDLAV-DVECYGJZSA-N 427.500 4.906 30 10 IJEE CC(C)COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccn2)c1 170419846 CNPOBJJQKFSZET-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE O=C1C(=NNc2ccc3ccccc3c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 254515500 FTCWVKNDLAZJHO-UHFFFAOYSA-N 435.443 4.967 30 10 IJEE O=[N+]([O-])c1ccccc1C=NOCc1cccc(CON=Cc2ccccc2[N+](=O)[O-])c1 254748744 GOCIERRNCZPOMA-UHFFFAOYSA-N 434.408 4.604 30 10 IJEE C[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 442385511 ZCYXXJFDUSQCOO-LMDPOFIKSA-N 436.531 4.697 30 10 IJEE C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 473395195 MRFKMZDSWKJGIN-KBXCAEBGSA-N 447.482 4.702 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 482186112 LTJFNBNPLZKVKU-VWLOTQADSA-N 446.639 4.963 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508489257 MPBNLPIBVUEFTO-HSZRJFAPSA-N 428.536 4.548 30 10 IJEE CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N 518260788 VNOVWRQFJHVDBZ-KRWDZBQOSA-N 427.545 4.987 30 10 IJEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(OC)c(O)c(OC)c1 526805728 QZORFOVDKXPTMT-OYKKKHCWSA-N 440.569 4.826 30 10 IJEE CCn1c(C)c(/C=N\n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)c2ccccc21 526828519 GZEAJEVOYUHMNU-QRVIBDJDSA-N 434.525 4.952 30 10 IJEE CCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc(C(=O)OC(C)C)o1 526830782 BAAPZZANHHAPTN-QRVIBDJDSA-N 442.541 4.572 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 549669705 LELAVHJBCHACMF-HYBUGGRVSA-N 448.567 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 558981761 KSGUELFXYLBOKX-UHFFFAOYSA-N 443.910 4.762 30 10 IJEE C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)c2)C[C@H](C)O1 586683797 GGGOWJXQYICJDB-GJZGRUSLSA-N 440.569 4.811 30 10 IJEE N#Cc1cnc2c(F)ccc(F)c2c1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 610275911 CWHXAJGFJHCKHL-LJQANCHMSA-N 438.865 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 683740478 PKJLOEMAAFWBMZ-WXFUMESZSA-N 439.600 4.683 30 10 IJEE C=CCC1([C@@H](Cc2cccc(F)c2Br)NC)CN(C(=O)OC(C)(C)C)C1 722917614 CUVHIXKFXVNSQO-MRXNPFEDSA-N 427.358 4.532 30 10 IJEE Cc1ccc(N2C(=O)/C(=C\NCc3ccc(C#N)cc3F)c3ccccc3C2=O)cc1C 729837111 QISIRDLXUAQPDI-HAHDFKILSA-N 425.463 4.632 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3cccc(Cl)c3)no2)ccc1OC 733230286 NXWIVKCKTJVEHB-QGZVFWFLSA-N 425.872 4.615 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=N)NOCc2cc(Cl)ccc2OCC#N)c1 747841219 WNRUMIRYYVFCJY-UHFFFAOYSA-N 430.892 4.636 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C#N)CC(C)C)c1 757967241 ZIGDQWFBZSQHLP-QFIPXVFZSA-N 447.988 4.613 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC23CCC3)ccc1Cl 769665116 PCCWUEUFBHRJLI-UHFFFAOYSA-N 444.984 4.880 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C 776800773 TZWUYGNBWXJGAP-UHFFFAOYSA-N 437.496 4.721 30 10 IJEE C#Cc1cccc(N(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)c1 788206859 BQLHOHJJVXODBF-IBGZPJMESA-N 427.932 4.644 30 10 IJEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1ccccc1 802183738 YSWHCBZWHAGEPQ-AREMUKBSSA-N 449.558 4.675 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H](C)c1cccc(Cl)c1 809895430 UVHVXWLOZDOOLK-KRWDZBQOSA-N 439.947 4.741 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(CCCCF)C2=O)cc1 812221938 FOQQAGJOFXUHNK-GOSISDBHSA-N 447.557 4.661 30 10 IJEE O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1084068485 MOPONKTXUYNHIB-NRFANRHFSA-N 433.508 4.986 30 10 IJEE C#CCOc1ccc(COC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C(C)C)nc32)cc1 1127966905 CNPYXAKKYJBDEC-UHFFFAOYSA-N 445.441 4.637 30 10 IJEE C#CC[C@@]1(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1128055636 IWRRGVKIYXSOJJ-ZHRRBRCNSA-N 438.490 4.718 30 10 IJEE C=CC[C@@]1(C(=O)NCC(CC)(CC)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1129963646 YOYIXORPOWFJBW-DEOSSOPVSA-N 438.609 4.597 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)c1 1158610547 YUARUTXNYDPHGB-OAQYLSRUSA-N 435.524 4.750 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(OCC(F)(F)F)cc1 1165346182 PYCUZZUXYVIHBX-UHFFFAOYSA-N 440.535 4.726 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C[C@H](O)COc1ccc(Cl)cc1Br 1167115409 ABZQNNLVYDQTHS-KRWDZBQOSA-N 440.765 4.539 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1OC 1178352157 WXDDNPFBEKNVBP-KRWDZBQOSA-N 442.394 4.869 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(-n2nnc3ccccc32)cc1 1179644925 ACNKJHMFMCNLDU-UHFFFAOYSA-N 433.309 4.807 30 10 IJEE COc1ccccc1C[C@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(C)C 1187883404 HTFOHERBFIEPGV-IBGZPJMESA-N 428.579 4.636 30 10 IJEE C=CCOc1ccc(CNc2nc3ccc(I)cc3[nH]2)cc1Cl 1203214739 HAVVQKUSVACTQB-UHFFFAOYSA-N 439.684 4.998 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc2c1CCN(C)C2)c1ccc(C(F)(F)F)cc1 1211149317 WVPRBKUMCXTGRC-FQEVSTJZSA-N 438.515 4.679 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(-n2cnc3ccccc32)cc1)c1ccc(Cl)cc1F 1225396307 NHXJYHNSTSLYQN-OAQYLSRUSA-N 432.886 4.992 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)CCCC1(C)C 1251282610 JOHSUJIGXOCFCE-NJDAHSKKSA-N 427.589 4.953 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1sc(-c2cccs2)nc1C 1264281192 XCRRKMIGZKZJDK-UHFFFAOYSA-N 429.519 4.923 30 10 IJEE C=CCC1(NC(=O)c2ccc(COc3ccccc3Br)cc2)CCOCC1 1278616484 RGKZNVIKHXXMAD-UHFFFAOYSA-N 430.342 4.883 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(OCC2CC2)nc1 1286278737 QEXWAYYGMJCRMI-AUSIDOKSSA-N 429.568 4.510 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(Cc1cccs1)C(C)C 1286327864 KKMNSQCEBDDRGA-UHFFFAOYSA-N 432.597 4.797 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1 1286357797 AQASZCPFKRAKCG-MISYRCLQSA-N 427.618 4.717 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1286534009 OJAJGSORTPTZLS-CYBMUJFWSA-N 431.712 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(OCc2ccccc2)CC1 1286550091 ZCPBJPDJTIEXDC-BKULYWANSA-N 438.616 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)c1cccs1 1286573691 OOIWUEJRUGQXPV-XMMPIXPASA-N 449.580 4.972 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 1286594587 DIIIPGKOWZOTMR-UHFFFAOYSA-N 434.512 4.753 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)OC(C)(C)C1 1286600596 ORWACDICHVYXHI-FPOVZHCZSA-N 442.604 4.631 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@H]1C 1286603290 RADCPHHXYPMUGH-DOTOQJQBSA-N 433.394 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCOCC2(CCC2)C1 1286672604 GFSUGHCLWUJLFV-UHFFFAOYSA-N 430.543 4.756 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1286729860 FIXICWLHBLXLAC-UHFFFAOYSA-N 434.613 4.969 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(Cl)nc1)C1CC1 1286732933 JVWWDVJPORMWFY-UHFFFAOYSA-N 439.947 4.604 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCCC1CCOCC1 1286743015 YARKBVQOMHTBAL-UHFFFAOYSA-N 442.567 4.611 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCOC[C@@H]1C 1286748336 VZQSQHUACPJEFZ-JQVVWYNYSA-N 428.552 4.524 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1CC1(C(N)=O)CCCC1 1286748475 VWXAETFSGOBLKS-UHFFFAOYSA-N 449.624 4.807 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)COC)C1 1286802810 WIIVRYYAVOCDPH-PKOBYXMFSA-N 444.645 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC[C@@H](F)C2)C1 1286805258 PLIYJGBAJRDSJU-BRWVUGGUSA-N 449.368 4.627 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1 1291654616 ULGFXRIRGMNUCH-QHCPKHFHSA-N 437.948 4.656 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)C1)OC 1291941485 GIDJLCJHPIGOCW-DYESRHJHSA-N 427.618 4.600 30 10 IJEE C#C[C@@H](NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)c1ccc(Cl)cc1F 1297712999 QAXOFHRNGZTNIY-MRXNPFEDSA-N 442.899 4.979 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCC(F)(F)F 1300743751 ZIBNIZVKJAZQOK-CQSZACIVSA-N 442.576 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@@H](C)C1CCC1 1300873911 ISVQRDREYMNCMR-LRQRDZAKSA-N 429.996 4.990 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)c1ccccc1 1300925258 SNRLCPZGUCXIKC-OTPAQWSUSA-N 426.605 4.507 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[S@@](=O)C(C)(C)C)CC1 1301075880 RPCFFRDJTGBJCQ-MUUNZHRXSA-N 441.428 4.956 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cc(C)ccc2OC)CC1 1301097015 LXONIEBRVQDKFZ-FYYLOGMGSA-N 438.616 4.913 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCCc2cc(OC)ccc2OC)CC1 1301114252 LZERWLZCJFLOJM-UHFFFAOYSA-N 436.556 4.899 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)O[C@H](C)C1)c1ccccc1 1301167846 GLWPRQAMFRVMCN-JRFVFWCSSA-N 448.615 4.503 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CC[C@@]2(CCOC2)O1 1301168033 KLOAQUXSAFONCS-DVECYGJZSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1c(CC)nn(C)c1CC 1301273961 ZETVOMHEPLBVAR-LJQANCHMSA-N 436.604 4.564 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](OC)C(C)(C)C 1301309195 PJJIVOPKKNWVBA-QGZVFWFLSA-N 427.376 4.847 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1nc(C(F)(F)F)cs1 1301309981 VKWGGIOASDLFOI-UHFFFAOYSA-N 437.491 4.565 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CC(C)(C)N1CCC(OC)CC1 1301357231 KXIUPZZAJZGQKC-UHFFFAOYSA-N 445.677 4.719 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1301428381 HDAQQJTXFFWGOZ-RXFWQSSRSA-N 444.575 4.812 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccsc2)N(CC)CC)C1 1301535476 LIKDXTDNGDDTKT-UXHICEINSA-N 431.650 4.502 30 10 IJEE C=CCn1c(SCCCNC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307237454 ADMJGAOBGMODSZ-CQSZACIVSA-N 449.642 4.776 30 10 IJEE C=CCn1c(SCC[C@@H]2COC(C)(C)O2)nc2cc(-c3ccccc3)sc2c1=O 1307274407 PQRPXUTVUGOJFC-MRXNPFEDSA-N 428.579 4.945 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1ccnc1[C@H](O)C1CCCCC1 1307369479 GOHTWJNEAPPCSD-MGPUTAFESA-N 426.586 4.899 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2cc(C)c(Br)cc2C1 1308103259 HCBDMYAEUZIKQP-MRXNPFEDSA-N 433.415 4.780 30 10 IJEE Cc1cc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1-c1ccncc1 1310820362 IAYVXPUZLNITFW-UHFFFAOYSA-N 425.536 4.715 30 10 IJEE C#CCN(C(=O)N[C@H](C)CSc1ccc(C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1312522403 JJZNBNVDCHVDJP-LJQANCHMSA-N 445.629 4.520 30 10 IJEE CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1312883248 BVRQOHNVQMSFSD-QHCPKHFHSA-N 431.515 4.739 30 10 IJEE C/C(=C/C1CCC(C)CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1350882587 ACCWNVFYCOLFTN-KAKKGFKTSA-N 445.629 4.991 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1358907721 YMYRHSQCSJEPKO-OAQYLSRUSA-N 435.597 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1359074287 XTEFRTXOOJIIHY-ZTCOLXNVSA-N 442.991 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)s1 1359096756 GLIIWLKGWGUFOE-YOEHRIQHSA-N 437.407 4.597 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1359173245 AEFVZMVPZLARQA-HFSMHLIXSA-N 428.552 4.511 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359210078 JCJBEWRYLRWKJY-IEBWSBKVSA-N 431.378 4.679 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H](C)C1)C(C)C 1359264314 BCMWAXSMBQKOSM-SFHLNBCPSA-N 443.039 4.784 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOC 1359276857 SUDDKAHDGGCSNW-UHFFFAOYSA-N 426.586 4.750 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359343857 CZLCATPNCKEETG-UHFFFAOYSA-N 447.530 4.838 30 10 IJEE COc1ccc2oc([C@H](C)NC(=O)COc3ccc(C#N)c(Br)c3)c(C)c2c1 1359916607 DDPRRJOHCMSYCN-ZDUSSCGKSA-N 443.297 4.640 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(C)C)CC2)cc1 1359954294 FFQVNEGNIIWOCM-JOCHJYFZSA-N 437.588 4.535 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)c1 1442172740 IBFFGZTXQDBBOV-HNNXBMFYSA-N 449.292 4.907 30 10 IJEE C#CC1(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CCCC1 1455187752 QVVHNBYMNORYNZ-UHFFFAOYSA-N 438.593 4.769 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 1456308324 PKXLPOHKJADSME-FQEVSTJZSA-N 440.609 4.935 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1C 1459557277 GMENWEOVNLYEDS-NRFANRHFSA-N 439.003 4.582 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1)c1ccc(Cl)cc1 1460787020 HMNCIZKQARMTCW-WPFOTENUSA-N 438.955 4.529 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccc(Cl)cc1F 1460791357 UTRJDGLCBOIVMA-LEWJYISDSA-N 430.907 4.611 30 10 IJEE C=C(C)C[C@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C)C(=O)OCC 1462507196 QMKBRTGKYVIBOF-HNNXBMFYSA-N 426.460 4.765 30 10 IJEE C#CC[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccccc1 1469448506 PPOVAZNVXRVTGG-RBBKRZOGSA-N 433.552 4.979 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cccc(COCC(F)(F)F)c1 1474080639 CQIZYVKIXWRSKJ-UHFFFAOYSA-N 442.275 4.830 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 1478062513 VJDSVOUVZKYQCO-XMSQKQJNSA-N 448.535 4.598 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2 1479317601 YPLOKRYJAVNNQJ-FUCXHRTASA-N 427.383 4.960 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOCC)CC1 1507680307 CVINADOVZKUEIU-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br 1507844916 SLUZYFLQQFVCDT-IBGZPJMESA-N 449.393 4.511 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1507915082 SPOLYTSQMJMXSB-UHFFFAOYSA-N 427.637 4.813 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)C)CC1 1507926439 ROAKRXSWUJRRLF-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1507938902 DSDSDMSHRQMVBT-FGZHOGPDSA-N 434.588 4.941 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1([S@@](C)=O)CCC1 1507973577 KCMRGUBQOFJDKG-SSEXGKCCSA-N 444.601 4.736 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)c1cccs1 1508011803 NMQMMRRARUPRDN-OAQYLSRUSA-N 432.952 4.885 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1sccc1C 1508019840 HVCHGUZCQJHPNH-SFHVURJKSA-N 443.617 4.947 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)C1 1508111366 DWOIRTQUMOIXRK-MZEQIWSPSA-N 437.632 4.545 30 10 IJEE C#CCOc1ccc(COC(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1 1515083876 ZLFJAEFXYJLHPI-UKTHLTGXSA-N 447.487 4.648 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(SCC)cc1Br 1524971626 NVIGHRVJOUTCIL-UHFFFAOYSA-N 433.371 4.658 30 10 IJEE Cn1c(=O)n(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c2ccccc21 1527788438 AZHFGMGQURNPAQ-UHFFFAOYSA-N 446.894 4.686 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1527931546 HBUADMYSOVVVFD-HRAATJIYSA-N 435.326 4.867 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(Br)sc1Br 1528931833 BEBFEGLBLYOWOI-CYBMUJFWSA-N 440.160 4.952 30 10 IJEE C#CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1529626174 ADPHAMIHFDJOHB-IIBYNOLFSA-N 442.353 4.937 30 10 IJEE C#CC[C@@]1(C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 1531212888 HFCBAMRFEAUEMV-CMJOXMDJSA-N 447.482 4.829 30 10 IJEE C=CC[C@]1(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1536491755 QKYOVEONBVWQSA-RUZDIDTESA-N 443.588 4.524 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)S[C@H](C)C1 1539103143 PBMLGQCTOGRNAB-KDURUIRLSA-N 436.581 4.861 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C1CCCCC1)N(C)C 1539154701 MOWIBQNIPLKPBD-NQIIRXRSSA-N 439.673 4.711 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCCCSC 1539350293 GVMNAVZVKISIIY-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)CCC 1539622363 WRTGYUGLKONJRJ-RHSMWYFYSA-N 439.423 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(C)C)CC1 1539624851 WRUHLNBIGZLOIR-AVRDEDQJSA-N 444.023 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(C)c1 1539632382 RCEOVEBFKBRLHL-OFNKIYASSA-N 426.605 4.801 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539842667 XRUPVHXGDFJKKF-PZJWPPBQSA-N 437.588 4.747 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1Br 1540037365 JGKMFUCCMAUSHF-UHFFFAOYSA-N 435.410 4.858 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540137577 VAYDSODWJHWIGH-XAPVIXHLSA-N 442.579 4.707 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC2CCCC2)C1 1540885193 DECGMAJGNMMQBV-OAQYLSRUSA-N 430.980 4.729 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 1542973665 UPYNPTSRSZHGHJ-UHFFFAOYSA-N 442.607 4.986 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)C(F)(F)F)cc1 1544661387 ITPUVTMSJLQCFM-OAQYLSRUSA-N 436.393 4.566 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)OC 1547504727 BIYLCGHCHCEJRY-UHFFFAOYSA-N 429.977 4.983 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1556376667 ACIMOMYGNYYQOJ-UHFFFAOYSA-N 449.498 4.973 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)c1ccccc1 1557749703 QYGZPWFINOQJSD-SJORKVTESA-N 429.358 4.566 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 1564664065 FNAKZAOXDLQJIV-UHFFFAOYSA-N 439.357 4.923 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Cc3ccccn3)ccc2C)CCCN1C(=O)OC(C)(C)C 1586024108 KSHSQLVFPFYPHO-AREMUKBSSA-N 433.552 4.712 30 10 IJEE C=CCCC[C@@H](C(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1586585916 CTRUBOOQVRHOQD-HSZRJFAPSA-N 442.559 4.972 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1nc(C)c(C)s1 1587561111 BCRDJCDAUNXDGV-GOEBONIOSA-N 444.004 4.845 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1csc(C)c1 1587575268 SAOXNHZTROAWSN-LBPRGKRZSA-N 433.350 4.723 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](COC)C1 1587705342 BLZHJWBADJOWSB-WOJBJXKFSA-N 428.552 4.614 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCc2cc(Br)ccc2C1 1587723212 DMBZUXFZZMEUAK-UHFFFAOYSA-N 439.357 4.975 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1587746151 KUSDDCOIAINJIP-UHFFFAOYSA-N 437.588 4.551 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1587884331 VHIYDTIAOOCOAX-DHIUTWEWSA-N 436.600 4.850 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCSCC 1588088602 ACLMVDZXGKJDPX-UHFFFAOYSA-N 435.622 4.593 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1593605063 DHAUWDBGFKGNBW-IBGZPJMESA-N 438.494 4.714 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1593808375 QMZPRTDUNQFNNK-ZTFGCOKTSA-N 438.016 4.674 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1594134844 XNVYRQQLOMJDDO-OYRHEFFESA-N 441.595 4.521 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)c(Cl)c2)CC1 1594192528 KHIMNTIXJRYLLZ-QHCPKHFHSA-N 448.970 4.562 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1594240952 CNDOOEHPWDFYJI-QFIPXVFZSA-N 443.586 4.670 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)CCOC)CC1 1594431074 UXEFICXENOGJBM-UHFFFAOYSA-N 432.996 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](CCC)C1 1594460795 CCKWDQXRJLWMAD-HXUWFJFHSA-N 434.588 4.943 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC(C)(C)[C@H]1C)c1ccccc1 1594552984 VFDAEJJTZSHWMT-GGAORHGYSA-N 448.615 4.503 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)CC1 1594567631 PQCUOMFMKFYYQP-VWLOTQADSA-N 439.604 4.899 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC1(CC)CCOCC1 1595093534 FKBKALFEVXGHTA-UHFFFAOYSA-N 442.567 4.611 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(Cl)nc1 1595134190 UVUYIBWNJIPVBN-FQEVSTJZSA-N 441.938 4.948 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)c1nccs1 1595233949 AJBAMMTUVRZLOR-IBGZPJMESA-N 430.581 4.835 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@@H](C)C1 1595900432 BAXACMXRIZEESD-IBGZPJMESA-N 444.645 4.689 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1cccs1 1596806111 CRLFXDXXUIKBNA-ZDUSSCGKSA-N 448.365 4.747 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccc(F)c2)nc2sc3c(c2c1=O)CCCC3 1613283659 JDBIYWZQRBXGOL-UHFFFAOYSA-N 443.569 4.783 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cc1 1622101800 SUTJFXPTCOQYSJ-MBSDFSHPSA-N 436.618 4.557 30 10 IJEE Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CCN(c3ccccc3C#N)CC2)c1 1622855947 HSRYLJVAWFSWCQ-UHFFFAOYSA-N 442.567 4.704 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccccc2Cl)CC1 1623266855 TXMBVKZGLHXMIU-SFHVURJKSA-N 425.356 4.992 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccc(C(F)(F)F)cc1 1623620701 NYBAEHLOWOUYPP-QHCPKHFHSA-N 445.529 4.890 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC(CC)CC2)c1 1627977549 WYTMLPALXXMVFK-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(OC)c1 1629941156 RHHMMXZSVCSBPC-UHFFFAOYSA-N 431.414 4.850 30 10 IJEE CC1CCN([C@@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc2)CC1 1629951598 IFXUDOMOYRUHMJ-SANMLTNESA-N 428.580 4.830 30 10 IJEE C#CC[C@H]1CCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633895246 WUSXLMFWNUDIKG-FQEVSTJZSA-N 430.548 4.567 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 1636310941 AUFKBFQMLZYXBH-MRXNPFEDSA-N 433.763 4.914 30 10 IJEE C#CCN(C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1)[C@H]1CCCc2ccccc21 1638902827 YSFLGYXSIOONKF-IBGZPJMESA-N 440.569 4.713 30 10 IJEE C#CCN(CC(=O)Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCc2ccccc21 1644411058 UGEOHGDIOCDWHR-XMMPIXPASA-N 427.573 4.935 30 10 IJEE COC(=O)c1cccc(NC(=O)C[C@@H](C)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 1652269223 BWWWCASCBVQNJF-QGZVFWFLSA-N 429.476 4.966 30 10 IJEE Cc1oc(NC(=O)[C@H](C)N2CC=C(c3cccc(Br)c3)CC2)c(C#N)c1C 1653219756 AUUVBSQXDWXKRP-AWEZNQCLSA-N 428.330 4.647 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCN(C)c3cc(F)ccc32)n(-c2cccc(F)c2)c1C 1653677136 GPMXXFYUQZMZQD-UHFFFAOYSA-N 449.505 4.529 30 10 IJEE CC(C)c1ccc(-c2cc(NC(=O)CN(CCC#N)CCC#N)n(-c3ccccc3)n2)cc1 1654032129 GMNDCNWPERAORO-UHFFFAOYSA-N 440.551 4.731 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C)N2CCC[C@H](C)C2)cc1OCC 1656044557 FXCPDUJAJOSQRI-DLBZAZTESA-N 425.411 4.623 30 10 IJEE C=CCOc1c(Br)cc(CNCC2(O)CCC(C)(C)CC2)cc1OCC 1657724379 UBCACZFNUDOHQV-UHFFFAOYSA-N 426.395 4.834 30 10 IJEE CCCOc1ccc2c(c1)CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C2 1657861505 GRXWDNVMRAKCIK-UHFFFAOYSA-N 425.960 4.742 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2sc(C)cc2C)c1 1661060329 DNYGUVCLBKICHJ-UHFFFAOYSA-N 428.531 4.928 30 10 IJEE CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F 1666760276 BTKXJDFTCWSYPZ-UHFFFAOYSA-N 445.356 4.954 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1667366405 SYIQPOYBEDLHAE-QHCPKHFHSA-N 435.568 4.695 30 10 IJEE COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1671437789 DKEUPAYDANTWIN-HXUWFJFHSA-N 449.454 4.669 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCn1c(C)nc2ccccc21 1672707965 BFISNGUEVBTUDG-UHFFFAOYSA-N 443.345 4.884 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1675393025 CSQJTSOUWKONRU-SGLNWRHMSA-N 437.987 4.675 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 1675756633 UAFALUSMUCDVNM-UHFFFAOYSA-N 442.629 4.638 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1 1678468953 GDRHAJGWZOYWAW-SJORKVTESA-N 429.483 4.839 30 10 IJEE C=CCN1CCC(NC(=O)N(C)CCCN2c3ccccc3Sc3ccccc32)CC1 1678691331 INFNBSRYUWFGFM-UHFFFAOYSA-N 436.625 4.971 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)c1 1679258787 JTLYMHMHBUBLJP-UHFFFAOYSA-N 431.183 4.790 30 10 IJEE C=CC[C@H](NC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccncc1 1679335922 WWYXHWJLSVXBIE-WRALFONMSA-N 447.510 4.588 30 10 IJEE C=CC[C@H](CC)NC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 1682086624 FJKXOXURTXOXEA-AWEZNQCLSA-N 434.300 4.654 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1 1686174067 WFIABNDPNIUUMI-RTOPAQNCSA-N 445.485 4.773 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(I)c(Cl)c1 1686265293 WOLPACHORWLYFI-CJNGLKHVSA-N 432.733 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN(C(C)C)C1 1690201207 ALYUCJMXYFIIPK-NTKDMRAZSA-N 426.008 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H](c1ccsc1)N(C)C 1690210895 MWUBCDBURXKQIE-ZEQKJWHPSA-N 447.652 4.810 30 10 IJEE C=C(Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690325557 AUQNKQDBUSRDEL-ATIYNZHBSA-N 438.616 4.905 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690419034 FOEARCPRDRGIKD-WOJBJXKFSA-N 438.620 4.952 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCSc1ccc(C)cc1 1690517683 KSGYKEMKMQYDMP-UHFFFAOYSA-N 446.418 4.769 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690569996 RSTBIOMCWYKQIQ-ACIOBRDBSA-N 440.563 4.833 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCc1cccc(C)n1 1690570119 WMSQKZRHAWAOQC-UHFFFAOYSA-N 428.515 4.618 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1690637677 BFSWTHIEIJZWPE-UHFFFAOYSA-N 436.869 4.841 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1)C1CC1 1692336794 AKZASVKQEYABJN-DEOSSOPVSA-N 435.597 4.801 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)Sc1ccccc1 1705479907 MOTDZAAHVBQEAI-HUUCEWRRSA-N 444.402 4.674 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(C)C 1705613794 PTGBCEKLBZPGIA-IBGZPJMESA-N 431.625 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCSC[C@@H]1C 1705698150 QCTLDPLKFBISOI-PDGJWGCVSA-N 426.630 4.743 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705727688 UUZWNSFYUVUJOZ-HSZRJFAPSA-N 436.556 4.829 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(C)C)CC1 1705787921 JUEMTJYFGWMSQW-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1705808526 QBTIYPDBYBOULK-UHFFFAOYSA-N 435.641 4.917 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(F)(F)Br 1705847417 SEWZSMKVKYNUMC-UHFFFAOYSA-N 437.741 4.834 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCc2ccccc2C1 1706130502 GQFSITVXPFYUDU-UHFFFAOYSA-N 448.659 4.834 30 10 IJEE COc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC2(C)C)ccc1OC(C)C 1711649821 IEGSSJJQSJRTRO-UQBPGWFLSA-N 437.588 4.917 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1722318554 PYHMKDJXPSBASK-UHFFFAOYSA-N 438.591 4.527 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1722324130 LHVHVUIYJFOHHO-BWAGFHJFSA-N 440.563 4.755 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCc1nc(C(C)(C)C)cs1 1722421787 NUHFYKXQLAINFS-UHFFFAOYSA-N 437.588 4.931 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1722450987 DYPWPIROKNWQGY-IWFBPKFRSA-N 442.604 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC1 1722467034 KUAGRYVXSWFYEL-XLNZFTOWSA-N 442.991 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722491183 ILHHROFGOOBWMQ-URFJDIBFSA-N 441.595 4.627 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1Cc2ccoc2CC(C)(C)C1 1722518767 LRHPLSFPECAUKL-UHFFFAOYSA-N 430.350 4.794 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCSC[C@@H]1C 1722530683 HJMWCVMADIXGQT-KRWDZBQOSA-N 432.659 4.810 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCC[C@H]2CC)CC1 1722564192 KBSXABCXIOTOOW-NHCUHLMSSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](CC)OC)CC1 1722579317 NMZMSMUINRGFBJ-OAQYLSRUSA-N 426.605 4.982 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)cc2F)CC1 1722581690 XFYPUIIXOSPSND-IFMALSPDSA-N 442.579 4.795 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722602506 DBFOOTFJNZIALE-UHFFFAOYSA-N 431.584 4.579 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1722606503 AJWSMCLJRWQQIG-IBGZPJMESA-N 428.487 4.588 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1ccc(F)cc1 1722644861 RIERHLHZWHHWRQ-XLIONFOSSA-N 443.567 4.915 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722661778 AFYNGANUPROFIY-NZQKXSOJSA-N 437.613 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CN(C)C 1722668630 VIPBLJIHFFTXSA-UHFFFAOYSA-N 446.437 4.782 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2F)n1CCN1CCC[C@H](C)C1 1723419103 BYTGFAIBONFTKP-FQEVSTJZSA-N 426.584 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)C1CCCCC1 1740535170 NXIDLQVBKKEUJH-ZVOVDXHFSA-N 438.616 4.824 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2sccc2c1 1740536683 KXPVMINNLBGDNT-ZDUSSCGKSA-N 440.370 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H](c1ccco1)N(CC)CC 1740543412 OUICQOSEXMKGDO-SIKLNZKXSA-N 442.567 4.627 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1740569226 FRGZGVJKJHRHEE-RDGATRHJSA-N 442.611 4.633 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC(CC)(CC)C1 1740582338 CCGAJMILFXIEPH-UHFFFAOYSA-N 436.423 4.561 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740719646 PLRQIARBXUSKKQ-ROUUACIJSA-N 430.568 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740761954 ZZKUBVOJHFBACD-KNKQGSTJSA-N 443.661 4.861 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1740796600 ZAMMMRFOSVYRLE-QFIPXVFZSA-N 439.629 4.521 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CCOCC)CCCC2)CC1 1740820035 OLKMKBAUFXBEAM-UHFFFAOYSA-N 439.560 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@](C)(OC)CC1 1740850550 LUTBSQGCEXTTDV-RUZDIDTESA-N 426.605 4.897 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1740907405 SYVLGVWHKCSABC-HUUCEWRRSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1OCC 1740922000 QJZOJFSALZDDQA-UHFFFAOYSA-N 446.580 4.745 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1Cc1ccncc1Cl 1740936233 MCJPYGFISMEZHQ-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cscc2C(F)(F)F)C1 1740976716 ZOAKSRCPWIZTEL-HNNXBMFYSA-N 438.475 4.756 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2cccs2)C1 1740985659 SGRFSAXSHOYWHO-OAQYLSRUSA-N 438.597 4.559 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 1741004936 QEBYLSLIPLPRBD-UHFFFAOYSA-N 442.482 4.614 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1747492365 BEPJLJVQROBGMJ-UYAOXDASSA-N 427.643 4.682 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1748800303 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C=CCN(CCOC)c1nnc(Cc2ccsc2)n1[C@H]1C[C@H](c2ccccc2F)C1 1760505926 SKXLFLPGKQDYCD-WGSAOQKQSA-N 426.561 4.827 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOC(C)(C)C)C1 1760536477 BVLLDUCHQWMIKI-MRXNPFEDSA-N 439.387 4.848 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCC2(C)C)C1 1760547762 RBLCAWPEFZTGFE-MOPGFXCFSA-N 428.552 4.604 30 10 IJEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)C1 1764995192 GEQGXHXPOVMGAA-NRFANRHFSA-N 434.632 4.811 30 10 IJEE CN(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)c1cccs1 1766891783 BTTSYUACYINKHJ-WMZHIEFXSA-N 426.634 4.505 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2Cc2ccc(Cl)s2)cc1 1771532554 FPIXWNFTOOCQCG-UHFFFAOYSA-N 441.988 4.569 30 10 IJEE CC[C@@H](Oc1ccc(/C=C2\SC(=Nc3ccc(C)cc3O)N(CC)C2=O)cc1)C(=O)O 1772763878 YWQACMVOPZYELC-LCFHROCOSA-N 440.521 4.567 30 10 IJEE O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 1859468508 OLRQTDZELSRMJC-UHFFFAOYSA-N 432.273 4.572 30 10 IJEE 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CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 1862652419 ILAOFOMLWCFAEY-QHCPKHFHSA-N 429.472 4.598 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(F)cc2)cc1 1862687391 KJQIOKJOQWLCAM-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862747850 WJTLVAXQLBLIIJ-NRFANRHFSA-N 448.500 4.786 30 10 IJEE CSc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862946159 ZJPNZMMROFSABU-UHFFFAOYSA-N 447.466 4.955 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2ccccc2F)C1=O 1863302460 FOBKUGNKOUTBSX-UHFFFAOYSA-N 429.289 4.583 30 10 IJEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2cccnc2)C1=O 1863527665 SKFPNFHIUOQZHS-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccc(F)c2)n(-c2ccccc2Cl)n1 1870004063 SHJIMJLFZBBTDT-OUKQBFOZSA-N 437.906 4.890 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OC(=O)CC(C)C)c2C)C1=O 1871386145 GMSKMUYZOSSTFL-NHDPSOOVSA-N 426.465 4.589 30 10 IJEE Cc1cc(O)c(CN2CCC(N(C)C)CC2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871396297 ZLQQFZZHDGPGNQ-MTJSOVHGSA-N 444.934 4.635 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871452033 AHORVGGOPCGBKI-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872492755 CYDPEXAPAJCFGW-XXBNENTESA-N 428.598 4.788 30 10 IJEE COc1ccc(OCCCc2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc1 1872805026 VVNIKIGVFWWSHQ-UHFFFAOYSA-N 426.476 4.707 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(N(CCC)CCCC)ncnc21 1873659687 ZIUCOYHBVNUKNN-UHFFFAOYSA-N 434.588 4.952 30 10 IJEE CCc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCCCO)cc1 1874283842 BWQGPKLRULWNCQ-LFVJCYFKSA-N 428.989 4.636 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccnc2)c1 1874308120 HMVKYQZTROACIG-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)ccc1O 1874417040 VDOCISOYMHCMBR-NLRVBDNBSA-N 444.560 4.800 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(SCCO)nnc2C2CCCC2)cc1OC 1874457898 MXMASUQKSNQGMD-JJIBRWJFSA-N 446.617 4.870 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874503856 CWMDHGOSRFGVCN-ZMOGYAJESA-N 444.532 4.570 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cn(C)c3ccccc23)c1 1874516139 IJWOMYPDXLQXIW-DHRITJCHSA-N 444.564 4.569 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1nccs1 1874595271 CFMJTLDGVPYYAG-KRXBUXKQSA-N 428.897 4.719 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1nccs1 1874614163 IEBWRJJXACRBSD-KRXBUXKQSA-N 428.897 4.719 30 10 IJEE COC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1874614608 VACSFZYXYRQITK-FPYGCLRLSA-N 439.689 4.559 30 10 IJEE O=C(/C=C/c1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1874620789 STAGQHSXJVNOMI-VMPITWQZSA-N 435.407 4.980 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3OC)cc2)cc1 1875194517 UQOLPORUDIKYBU-VIZOYTHASA-N 448.471 4.836 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(CO)CC1)n2CC 1875201712 XAJCLJWVBYWSQE-UHFFFAOYSA-N 443.636 4.848 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCCCOCCCC)ncnc21 1875228172 CZTATTUJZNVLHA-UHFFFAOYSA-N 435.572 4.508 30 10 IJEE N#C[C@@H]1CC12CCN(S(=O)(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2 1891987212 CKJRWTQOLWJPSY-INIZCTEOSA-N 436.455 4.812 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C#N)cs1 1952146948 CXTHXBICIBOSTI-XMMPIXPASA-N 432.501 4.848 30 10 IJEE Cc1ccc(C#N)c(NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1 2067206825 DCMLYVNVNOTAQN-UHFFFAOYSA-N 434.584 4.838 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)c(O)c1 2079048845 XKUOJVLRXGOSKB-UCBNSMMZSA-N 432.240 4.876 30 10 IJEE COc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2080030039 HYRRXXYXIVPMHC-QGZVFWFLSA-N 433.293 4.635 30 10 IJEE C[C@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2124540574 JGZRFSXCRURJAN-INIZCTEOSA-N 444.381 4.688 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(F)cc(Br)c2)NC)C1 2126685613 SQKCMHWLZNRYKA-KRWDZBQOSA-N 427.358 4.580 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCCC 2126707086 YZKNICOWAVEGQZ-HOTGVXAUSA-N 433.337 4.717 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCCC 2145541784 PZYSQPQPSKUGMR-OALUTQOASA-N 441.385 4.806 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 2159126357 UIOKDAIWVUHVDN-PMACEKPBSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNc2ccc(Br)cc2C#N)C1 2163253204 GZVDHFWXGTWRBT-TZMCWYRMSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CN(c1cc(Br)cnc1C#N)CC2 2174710120 NIOKDLTWLWQIAS-UHFFFAOYSA-N 429.318 4.625 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(c2cc(Br)cc(C#N)c2)C1 2174814365 HFOJKIQWTRVDIZ-APWZRJJASA-N 434.378 4.937 30 10 IJEE C[C@@H](NC(=O)c1cc(Cl)c(Cl)s1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631068 KNJWDOATXATKFJ-SECBINFHSA-N 432.203 4.907 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181101963 ZSVMNEBSRSSCSM-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(Br)cc2C#N)C(C)(C)C1 2181106866 APABKBDGIZYBIK-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)C1 2181148365 YDLUJALCZOELHY-HIFRSBDPSA-N 436.350 4.733 30 10 IJEE C=CCC[C@@H](COc1c(N)cnc2ccc(Br)cc12)NC(=O)OC(C)(C)C 2198822309 KYHYTIHMUIVVPB-AWEZNQCLSA-N 436.350 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2cccc(Br)c2C#N)(C(F)F)CC1 2227497733 NVMJJISXNSMHOJ-UHFFFAOYSA-N 430.293 4.767 30 10 IJEE CC1(C)OB(c2cscc2C(=O)N(Cc2ccccc2)CC2CCCC2)OC1(C)C 2247910838 PXVGPRRZDWIUTR-UHFFFAOYSA-N 425.403 4.880 30 10 IJEE CC1(C)OB(c2cscc2C(=O)N(Cc2ccccc2)Cc2cccs2)OC1(C)C 2247911311 VBRYZRRDALFNLX-UHFFFAOYSA-N 439.411 4.951 30 10 IJEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)CC3CCCC3)c2)OC1(C)C 2247920436 YKWXOJWPFPILBV-UHFFFAOYSA-N 425.403 4.880 30 10 IJEE C=CCCC1([C@H](N)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2263749747 IDAQRNSXHUXKHO-CQSZACIVSA-N 431.396 4.722 30 10 IJEE C[C@H](c1cscc1Br)N(C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2283011509 GOVIBXPIXMJWOE-GFCCVEGCSA-N 437.212 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(c2c(Br)cccc2C#N)C1 2285221747 ZYKRGSQCXITUHS-SJLPKXTDSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C[C@H](C(=O)C#Cc3ccccc3Br)C2)C1 2286582453 FUICDWBFBOUUOU-VQFNDLOPSA-N 432.358 4.653 30 10 IJEE CCN(CC)c1ccc(C=C2SC(=Nc3cccc(Br)c3)NC2=O)c(O)c1 2294963536 WKHGLTCNKYLZQW-UHFFFAOYSA-N 446.370 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1C(=O)C#Cc1ccc(Br)cc1 2296222170 PJCKSYBRIDKEEV-SFHVURJKSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)C#Cc1ccc(Br)cc1 2296224587 LSBLWMYVRBZGDL-UHFFFAOYSA-N 428.326 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@@H](O)C#Cc3cccc(Br)c3)cc2C1 2296229816 NIIJRQQUMFAWSJ-KRWDZBQOSA-N 448.382 4.889 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 2296933312 DYEIMIVIKOYDTP-HXUWFJFHSA-N 446.484 4.833 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Cl)c(O)c(OCC)c2)C1=O 2297315777 FYWTZAPCAWNYAE-UHFFFAOYSA-N 445.924 4.988 30 10 IJEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2318788071 BMZFDSJAERNYBU-UHFFFAOYSA-N 432.276 4.853 30 10 IJEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323310598 PQMPSJAMADIEPJ-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325424623 HWYBITLCYIPNML-INIZCTEOSA-N 431.444 4.813 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCCO)n2N=Cc2ccccc2Cl)c1C 2327300638 ITBHPTXXFMDCQO-UHFFFAOYSA-N 444.988 4.792 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCO)n2N=Cc2ccc(C(C)C)cc2)c1C 2327320327 JTGPQWSQIHOMLE-UHFFFAOYSA-N 438.597 4.872 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2327674399 ZQEOOZWKRMRSOM-UHFFFAOYSA-N 429.889 4.579 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(Cl)cc1 2327853264 TUZRLRKBPDGMDG-INIZCTEOSA-N 431.993 4.596 30 10 IJEE COc1cc(C=Nn2c(COc3c(C)cccc3C)nnc2SC)ccc1OC(C)C 2328542648 YTVNHBWATUHBPI-UHFFFAOYSA-N 440.569 4.874 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccc(O)cc2O)cc1 2329995373 LVEYYZCSZPTTBV-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1 2331201728 RXMLTTJELSRMAD-UHFFFAOYSA-N 429.494 4.938 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccc(F)cc2)cc1 2331245935 KKRZQAPDMUPFFU-UHFFFAOYSA-N 442.560 4.960 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cccs1 2331332915 BCVWUDLCAFMYKN-UHFFFAOYSA-N 427.599 4.912 30 10 IJEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2F)cc1 2331429813 HWPOEWQGQXSKRF-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE CC1(C)OB(c2cc(N[C@@H]3CC[C@H]3OCc3ccccc3)nc(C(F)(F)F)c2)OC1(C)C 2339597174 OQHFCPRFOQBPEM-QZTJIDSGSA-N 448.294 4.559 30 10 IJEE Cc1cccc(C#N)c1OCc1ccc(I)c(Br)c1 2350070419 QGVLHVCLTFQLPM-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@H](O)C#Cc3cccc(Br)c3)CCC[C@H]21 2360196350 OXYYVLBUNLIPNP-MTQWCTHYSA-N 434.374 4.587 30 10 IJEE COc1nc(Oc2ccc(Br)c(Cl)c2)ccc1B1OC(C)(C)C(C)(C)O1 2365379190 GRBQMKNULQZXSA-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE Cc1ccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c(F)c1Br 2381163919 RMSIXECSCCEGSN-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(Nc3ccccc3)cc2)NC2CC2)n1 14156324 WRVUZTXLJWZBSY-UHFFFAOYSA-N 431.569 4.754 30 10 IJEE C=CCc1c(C)nn(-c2nc(CC(=O)Nc3nc(-c4ccccc4)cs3)cs2)c1C 33019276 ZKNUHNJSTYPVRM-UHFFFAOYSA-N 435.578 4.979 30 10 IJEE COc1cc(/C=C\C(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 34955570 IUKIATBRFXNWRE-BENRWUELSA-N 448.471 4.836 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)c2ccccc2-c2ccccc2C#N)C1 78670311 RKAGICBGHUATRL-LJQANCHMSA-N 433.552 4.992 30 10 IJEE CC(C)(C)C1CC(C#N)(S(=O)(=O)c2cc(Br)ccc2Br)C1 96871241 PRUJXRPLMTZPQH-UHFFFAOYSA-N 435.181 4.704 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1Cl 102497558 PWWSPIRJHVYJMB-VFJWVMJUSA-N 448.906 4.756 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925516 JYNNDUFZXZTKDZ-XMMPIXPASA-N 441.483 4.721 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2cccc(C)c2)cc1 169972913 QXKRKMMAJZQJFW-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccn2)cc1 169993257 BXJULPQQOVGDGU-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1 170080924 DCPWGNKODUNULS-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)o2)c1 170102388 HSBNZJBUWKKKFD-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCOC(C)C 170107548 YVDCUZBRWWZZEY-HXUWFJFHSA-N 438.549 4.931 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)cc1 170144323 XGKUKYPGVGMNIN-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)c1 170157373 RBSHFJWOZSCEDR-LJQANCHMSA-N 441.892 4.899 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)cc1 170169861 WWQPRFWOFAHLNE-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE COc1ccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)c(C)s3)=C2N)cc1Cl 170179319 WPOVUPMMFCWFCV-UHFFFAOYSA-N 425.941 4.806 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccnc1 170194392 GNUSLFUXVIKNKH-FQEVSTJZSA-N 440.927 4.963 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)cc1C 170200895 UBVHZLRVMWWTTE-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)cc1C(C)(C)C 170211957 BFRARTIGODVZAQ-JOCHJYFZSA-N 434.536 4.909 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2ccccc2)c1 170224053 JITIZUDFXGIODG-XMMPIXPASA-N 440.499 4.607 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c1 170311126 BAAMZLOPRAWLLD-JOCHJYFZSA-N 435.451 4.904 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1sccc1C 170312427 UEXIHWSXMOAROR-SFHVURJKSA-N 425.531 4.905 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1cccc(F)c1 170313580 PTNSOTHVASYAKS-GOSISDBHSA-N 438.436 4.887 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@@H]1c1ccc(O)cc1 170450786 RKSWVXPSVRVZOH-LJQANCHMSA-N 444.459 4.795 30 10 IJEE Cc1cccc(C=Nn2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4)c(C)nc32)c1 254833770 XUIYKLIVRGPEPY-UHFFFAOYSA-N 444.498 4.783 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)cnn1C(C)C 407246422 XIEFWNROAWGCNY-HZPDHXFCSA-N 429.403 4.737 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 410256844 OVJNATQPISLVCV-MRXNPFEDSA-N 433.474 4.823 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)cc1F 437464944 CYMSANOPXNPIRZ-VQTJNVASSA-N 435.499 4.857 30 10 IJEE N#CCC[C@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1 440237787 GTZUTKQHWZYIRJ-FPOVZHCZSA-N 433.487 4.810 30 10 IJEE C[C@H](NC(=O)Cc1noc(/C=C/c2cccc(C#N)c2)n1)c1ccc(Cl)cc1Cl 445764885 JTAAWLWRJQATND-LJLILKBBSA-N 427.291 4.838 30 10 IJEE N#Cc1ccc(CN(Cc2cncn2Cc2ccccc2)c2ccc3nc(O)[nH]c3c2)cc1 445808850 DBPHSNIHOBXAQI-UHFFFAOYSA-N 434.503 4.592 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)CC1 446626201 BIMUYQQEWGGNQZ-QLOJAFMTSA-N 440.931 4.510 30 10 IJEE C=CCN(C(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)cs1 489540101 HFUTYHRMSWEMGF-UHFFFAOYSA-N 445.544 4.796 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@@H]1c1ccc(O)cc1 526608337 IBSZUDILACHOLG-HSZRJFAPSA-N 442.471 4.728 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1 548948315 JKNNRIKTCYROKG-XMMPIXPASA-N 442.563 4.856 30 10 IJEE C=CCOc1ccc(CNC(=O)c2c(Br)cccc2Br)cc1 552704285 HQNNURXXJUKKRZ-UHFFFAOYSA-N 425.120 4.706 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 579619275 FPQBGJWJBFUEML-HJOGWXRNSA-N 448.542 4.816 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1 589867568 RNZINRAXRZSQGK-CYBMUJFWSA-N 433.990 4.519 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 604487866 NEUGDTQFCKCEGD-CQSZACIVSA-N 429.427 4.798 30 10 IJEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCC(C)C)cn1 726114236 WCCFCLXHTDJKIG-FQEVSTJZSA-N 441.601 4.608 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1cnc(C(C)C)s1 758682820 VWQHYBGHENWOJW-MRXNPFEDSA-N 436.400 4.548 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(Cl)nc2)[n+]2cccc(O)c2Cl)cc1 762441593 XITWULNEUAERJL-UHFFFAOYSA-O 444.323 4.576 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(C(=O)OC)cc1 766288792 LOYHEXIICUAUQG-UHFFFAOYSA-O 444.536 4.518 30 10 IJEE C=C(C)[C@@H](O)CC[C@@]1(C)C=Cc2c(cc(OC)c(C(=O)/C=C/c3ccc(O)cc3)c2O)O1 1077991936 UXOHDTSKWKSNCQ-QJQSRUIBSA-N 436.504 4.884 30 10 IJEE biogenic CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1cccc([N+](=O)[O-])c1C 1083944760 UYLBLAZHKYTSFL-UHFFFAOYSA-N 434.481 4.526 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3ccccn3)n2)cc1 1084586226 NEUDOONJLACYJP-OAHLLOKOSA-N 437.573 4.670 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1124622731 KFMQTPBGRCNELI-VWLOTQADSA-N 427.589 4.591 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cccc(NC(=O)[C@@H](C)CC)c2)CCCN1C(=O)OC(C)(C)C 1125162117 ZYRBEXCVJLITDZ-BVZFJXPGSA-N 443.588 4.633 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c1 1125352443 AJZZUPPTCPNSAT-UHFFFAOYSA-N 433.693 4.500 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CCCN1C(=O)OC(C)(C)C 1125479600 HGLZDILDWNSDAB-HXUWFJFHSA-N 437.418 4.578 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccc(F)cc1 1129603156 NWHCSISEKWNGLD-DEOSSOPVSA-N 425.463 4.791 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2(C3CCC3)CC2)c1 1130451273 OCIGHAQVNPQYAE-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 1136352974 RGNKGHGBULSXIH-FQEVSTJZSA-N 426.561 4.519 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3nc(C4CCCCC4)c(C)s3)ccc2c1=O 1141140901 ONQBXKGXKSFOPQ-UHFFFAOYSA-N 440.594 4.936 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(Br)c2C1 1150696118 TVCWUESNLPWYEI-SFHVURJKSA-N 437.378 4.583 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1CCNC(=O)OC(C)(C)C 1157543136 OEGIOBKCZMOGBM-UHFFFAOYSA-N 440.588 4.750 30 10 IJEE COCCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccc(C)cc1C 1167226917 DQGPTLFOWQMYMB-SFHVURJKSA-N 439.625 4.839 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1170311264 QQJPMYLHAOMMGW-RTBURBONSA-N 429.948 4.622 30 10 IJEE COc1ccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1Cl 1171239902 GUWBEGSCVJXLNK-UHFFFAOYSA-N 428.964 4.824 30 10 IJEE O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1n[nH]c(-c2ccccc2F)n1 1182474287 ASJOKABSJDNJTM-UHFFFAOYSA-N 448.298 4.666 30 10 IJEE N#Cc1ccc(N2CCC23CCN(C(=O)OCc2ccccc2)CC3)cc1Br 1187686767 RRVZHPSFLBAKIA-UHFFFAOYSA-N 440.341 4.702 30 10 IJEE O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1191577460 VIVQIJMQUVRZAS-UHFFFAOYSA-N 436.331 4.612 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCC1CCN(Cc2ccccc2)CC1 1203281951 CCVCEWPSIUTEFV-UHFFFAOYSA-N 441.413 4.853 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc2ncsc2c1 1209065869 YNMFHSIJLQHAQY-UHFFFAOYSA-N 441.347 4.575 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c[nH]c2cccc(F)c12 1209065947 ZNCFETUARWXEHE-UHFFFAOYSA-N 441.297 4.586 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c(Cl)c1 1220235177 PZWUGOFIAQOLFM-GHTZIAJQSA-N 439.943 4.846 30 10 IJEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1227004037 AXFQMUQNKFUZGW-GVAUOCQISA-N 430.596 4.768 30 10 IJEE C=C[C@@H](CC(=O)N[C@@H](CC(=O)OCC)c1ccc(Br)cc1)c1ccccc1 1267115795 PJPPAQGUUUPCMM-JXFKEZNVSA-N 430.342 4.920 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@](C)(O)C1CCCCC1 1286378637 WGSOKJJUWLOIAV-SANMLTNESA-N 438.616 4.690 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286419702 CZCAGMYOJMDKEW-XSDIEEQYSA-N 436.987 4.971 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCC=CO2)CC1 1286654983 MSXFHHVMFRXDSF-NRFANRHFSA-N 438.572 4.838 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)c1c(C)noc1C)C1CC1 1286739932 UUBFAVIBJHFUHN-HNNXBMFYSA-N 425.508 4.560 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C1CC(C(C)(C)C)C1 1286759978 HMKIVMLQBLGFPO-UHFFFAOYSA-N 435.616 4.746 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)c3cccn3-c3c(Cl)cccc3Cl)CCO2)c1 1295935523 GZULYEGZBKGNCL-FQEVSTJZSA-N 426.303 4.869 30 10 IJEE C#C[C@H](NC(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccc(Cl)cc1 1298924638 MKZQNEDHAUYRRY-FQEVSTJZSA-N 428.916 4.581 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCSC1(C)C 1300510925 DIAPZTYCSKMZBL-SFTDATJTSA-N 436.625 4.639 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1300769210 BVCHQNNRRPGLOW-FKBYEOEOSA-N 438.641 4.855 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N(C)Cc1csc(Br)c1 1300972685 OSPYEKBTOBRNFW-AWEZNQCLSA-N 427.412 4.845 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2ccsc2)CC1 1300980450 ITAWAQPNKKEICC-UHFFFAOYSA-N 438.597 4.992 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301145977 NUNGKBJRIMBTRP-LJQANCHMSA-N 441.595 4.675 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CC)C1)c1ccccc1 1301165032 YWGKXIGNTRKMEV-RTWAWAEBSA-N 437.975 4.969 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1301187248 SWLMVKNJYBSNFB-UHFFFAOYSA-N 425.552 4.570 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1301198884 TUZWJVZEKYTFFB-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cccs1 1301240890 HCWXEWHSSDIPBK-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCC[C@@H](C)C1 1301271000 NTFIKDOZALPEDZ-LJQANCHMSA-N 432.616 4.934 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCC1)C1CC1 1301314398 VNRJTSITBPBEPL-IBGZPJMESA-N 444.023 4.939 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](c1ccsc1)N(C)C)C1CC1 1301330648 RIVXBUUJEDFBDA-NRFANRHFSA-N 425.577 4.527 30 10 IJEE C#CC[C@@H](NCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1 1307632445 JHXGQMGXESMOQX-HSZRJFAPSA-N 441.531 4.630 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(-c2ccccc2)no1 1310213119 DJDDBPBQFJFLHH-MRXNPFEDSA-N 440.463 4.721 30 10 IJEE Cc1c(COc2ccccc2)cccc1NC(=O)N1CCN(c2ccsc2C#N)CC1 1310396028 HOEKZKVDNQXSNR-UHFFFAOYSA-N 432.549 4.861 30 10 IJEE C=CCCSCCNC(=O)N1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC 1312977791 RZDOKQHWJZTENO-NHCUHLMSSA-N 433.618 4.517 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SCC)C1 1314284638 GYUHZNREMMQWFG-NRFANRHFSA-N 441.645 4.991 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cc(=O)n(CC(C)C)[nH]1)c1ccc(C)c(C)c1 1350663805 SPEFXMUMPPPIQS-UHFFFAOYSA-N 447.579 4.790 30 10 IJEE C=CCN(C(=O)[C@@H]1COCCN1CC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1352980643 FSQSJTZILACTLY-QHCPKHFHSA-N 433.577 4.717 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)CSc1cc(C)c(Br)cc1C 1353678287 NGBIIGFTLGZCOC-UHFFFAOYSA-N 433.371 4.713 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3COc4ccc(Br)cc43)cc2)nc1 1356209143 BHYYJOOWRFHLEB-GOSISDBHSA-N 436.265 4.623 30 10 IJEE C#CCN(C(=O)c1cc(I)cc(C(F)(F)F)c1)C1CCCCC1 1357290606 GYFOIFOXDJRKML-UHFFFAOYSA-N 435.227 4.718 30 10 IJEE CC(C)[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccc(C(F)(F)F)c1 1358199825 CWDGRTAWOKRIEM-UWJYYQICSA-N 430.426 4.870 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCCN1CCCC 1358873360 ICTWLOXKLUUVGE-ISKFKSNPSA-N 433.644 4.861 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1 1358917392 PKMWJLUATPWEGN-UHFFFAOYSA-N 444.048 4.702 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1359050982 IXDBEQOVAHKFQP-QUCCMNQESA-N 438.597 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(C#N)CC1 1359096047 WCVIOYGMTZUSKW-JXFKEZNVSA-N 443.954 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1 1359116542 PFHVXUDDMFZCAU-QFIPXVFZSA-N 447.004 4.882 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1359122822 BGWYOUUTASUYEZ-LJQANCHMSA-N 447.967 4.580 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1359122954 GZCOVLYVUREPGI-UHFFFAOYSA-N 431.584 4.828 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccoc1 1359128249 OBWRDQDHHKUKFX-QGZVFWFLSA-N 426.586 4.954 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@](C)(OC)C1 1359186664 OREJQOOUNFNGHD-RUZDIDTESA-N 434.588 4.738 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1359209748 YCBBJISSWITVDK-UHFFFAOYSA-N 446.599 4.651 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS1 1359259013 JMFIHGOCPRZYIK-FQEVSTJZSA-N 425.627 4.722 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359343809 BYRHZYZRDAYRDU-LJQANCHMSA-N 435.037 4.693 30 10 IJEE C#CCN(C(=O)CC[C@H]1CC1(Cl)Cl)[C@H]1CCOc2ccc(Br)cc21 1435175764 NLCFFJCRHGWFQY-WFASDCNBSA-N 431.157 4.709 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)c21 1435751521 XMLYGGKOOKZKKJ-KRWDZBQOSA-N 441.329 4.545 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(CC)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1435900840 QJMBYSAJPGYOCT-NRFANRHFSA-N 444.369 4.814 30 10 IJEE C#CC1CCN(C(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)CC1 1437059203 XWLVKQYCVGDTOC-UHFFFAOYSA-N 428.326 4.522 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(OCC)C(C)C)c1 1452374128 QSZORKXJJITEFC-UHFFFAOYSA-N 436.961 4.523 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1456451011 SHVIFJPLCJNGLR-DGWAXEAPSA-N 440.337 4.847 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@H]21 1459981425 VEHCXLJSHGDHBQ-HMXCVIKNSA-N 428.374 4.717 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCc1csc(C)n1)c1ccc(Br)cc1 1460784115 JEPHTKKPAGTWCR-IBGZPJMESA-N 441.350 4.897 30 10 IJEE C=CC(C)(C)CCNC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 1461786819 TXZNYNXARSPJQW-UHFFFAOYSA-N 429.358 4.962 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(Br)cc(F)c1OC)c1ccccc1 1463376410 TUWXQIXVLRDJFM-INIZCTEOSA-N 428.323 4.583 30 10 IJEE C=CC1(CC(=O)NCCCc2c(Cl)cccc2Cl)CN(C(=O)OC(C)(C)C)C1 1469647511 QTQHOLIGGLGNSU-UHFFFAOYSA-N 427.372 4.855 30 10 IJEE C=CCCC1(CNC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)CCCC1 1470790085 DSNKBNDIOFCPOO-SFHVURJKSA-N 428.495 4.613 30 10 IJEE C=CCn1cc2ccc(NCc3cc(Br)cc(Br)c3N)cc2n1 1474279238 NMDYRFPMKJOCQX-UHFFFAOYSA-N 436.151 4.942 30 10 IJEE C#CCC1(NC(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)CCC1 1476506650 IAIOERFWFVGFBJ-UHFFFAOYSA-N 425.451 4.798 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC=CCC1 1507524866 WTHPPTYGUFMHQB-HZPDHXFCSA-N 429.362 4.530 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OCC2CC2)C1 1507556242 JEXVVGFODGJASQ-LJQANCHMSA-N 430.955 4.937 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1507570404 NZWWNVCDUKRRLE-XZOQPEGZSA-N 433.600 4.724 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC([C@@H]2CCCO2)CC1 1507575352 FWWQNILDSDRKPY-INIZCTEOSA-N 449.418 4.578 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@H](CC)C1 1507779645 DPYWKKBPTPBPLG-JSGCOSHPSA-N 443.748 4.650 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](OCC2CC2)C1 1507827184 XYLVCVJFHXUOJA-HNNXBMFYSA-N 437.407 4.741 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1507834043 YEJQANIQYQRLIX-QFIPXVFZSA-N 448.615 4.978 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1507869446 SXXBNQGTZGVHGB-HXUWFJFHSA-N 444.004 4.527 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1507889796 ZAKUOSSQHWJRDY-HXUWFJFHSA-N 432.012 4.643 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H](C)c2ccccc2)CC1 1507898977 XXYQSFNKQNSMPX-HFZDXXHNSA-N 438.616 4.915 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H]1CCOC1 1507957800 KXAVLCJUVHPRCU-MRXNPFEDSA-N 447.004 4.879 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1508157966 CNVASDFYOSDWHY-MGPUTAFESA-N 434.556 4.841 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1 1513636604 DFUYNAQEKUEJBY-FQRUVTKNSA-N 434.632 4.758 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)cc1OC 1518368536 HTAMBSSKSNIURW-OQLLNIDSSA-N 431.536 4.901 30 10 IJEE CCc1ccccc1N1C[C@@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1=O 1522764472 CKEOWCIJAMRPND-FQEVSTJZSA-N 429.545 4.518 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 1528518822 HBRFPJBRHDAWOF-WOJBJXKFSA-N 436.581 4.930 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)C(=O)OCC 1531937370 XRCMLJFTLCYKKW-ZDUSSCGKSA-N 432.851 4.633 30 10 IJEE Cn1nc(C(F)(F)F)c(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1Cl 1535437995 BXCAGXBZJUSDBA-UHFFFAOYSA-N 434.805 4.795 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(F)c(F)c1 1537693229 ZJJLZRVPIFOLOM-VLIAUNLRSA-N 449.295 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC(C)(C)C1 1538970112 AADCNSYKZHGDQP-OALUTQOASA-N 444.023 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CCN(CCC)CC1 1538985066 VSVBMRQASFRCBS-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OCC 1538985937 GCOUUXAQMKCIKL-CQSZACIVSA-N 430.339 4.552 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(C(C)C)CC1 1539307581 WNWLLMPFZQKVOY-UHFFFAOYSA-N 443.364 4.746 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=C)Cl 1539391396 CRQOSBBJGJUERA-WOJBJXKFSA-N 430.955 4.728 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H](OC)C(C)(C)C 1539549844 VOQONOPKJKBXLJ-XMSQKQJNSA-N 445.405 4.761 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)c1cccs1 1539660372 ZSYXMQIWJZRPAE-DEOSSOPVSA-N 433.581 4.865 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539835790 HIVFDRRUMANUMT-IEBWSBKVSA-N 441.576 4.648 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCOC(C)(C)[C@H]1C)c1ccccc1 1539949305 XFRPJNWZGXAROO-OFNKIYASSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(C)C)C1 1539953525 KITWFGONBDEHTD-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@H](C)C1 1540122192 RKWDTKLXIPBJSW-SFTDATJTSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CC1(SC)CCN(C)CC1 1540133667 IXPFCSDDYCPAAW-IBGZPJMESA-N 445.652 4.951 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCc1nc(C)c(C)s1 1540186459 CFHAXXNSASDDDW-FQEVSTJZSA-N 441.601 4.664 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)CC1 1540922503 PPZHDJGHDLYTPO-SFHVURJKSA-N 435.638 4.506 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@H](C)C2)c1 1543739063 SGMRBINOTXFXAN-ROUUACIJSA-N 447.000 4.887 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 1556907354 NKDTYKLQIDVNMG-PKTZIBPZSA-N 447.922 4.723 30 10 IJEE C#CCOCCSC1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1cccc(OC)c1 1559310207 VCKQCAOJSYMFOT-XQNSMLJCSA-N 434.561 4.945 30 10 IJEE C=C(C)COc1cccc(NCc2cc(Br)ccc2O[C@H](C)C(=O)NC)c1 1560382014 BIIGZQHSFUMZLO-OAHLLOKOSA-N 433.346 4.529 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(ccc(OC)c2OC)[C@@H]1CC 1583625919 LNHRJQBRXSPJLO-UXHICEINSA-N 446.588 4.789 30 10 IJEE C=CCn1cc(C(=O)N(C)[C@H](c2cc3cc(Br)cc(C)c3o2)C(C)C)nn1 1583652360 RFIGDDOREQQVHB-SFHVURJKSA-N 431.334 4.751 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 1586082421 XPLPDPDBVHFDRO-OAQYLSRUSA-N 432.973 4.562 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1587706180 MPJKIMFVDACDGC-WZONZLPQSA-N 428.577 4.694 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1587765127 AYCKRTAGNTVRMI-RBZQAINGSA-N 436.600 4.580 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1587872892 YUOXIHBSHFRNBB-OAQYLSRUSA-N 430.955 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1C 1589505990 QJNCWLALTABSEL-ZQIUZPCESA-N 437.407 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1([S@](C)=O)CCC1 1589599785 MCNMVPPEHJLEER-QJWGWKRISA-N 444.645 4.739 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(COC)CC1 1593711997 OIFFUQCVVZOLEA-GOSISDBHSA-N 444.645 4.587 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1593923244 HHMMPZRSAIQCQU-DLBZAZTESA-N 437.009 4.729 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1594583147 YRPPFLDCUVXETE-IRXDYDNUSA-N 437.327 4.722 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N1CCC[C@@H](C)C1 1594896302 VMANUJNHLRTEAB-IPMKNSEASA-N 427.662 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1594913746 NLRRKDADTSADAM-UHFFFAOYSA-N 447.974 4.526 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[C@H]1CCCCO1 1595133362 FFURJONHRVRUFL-JOCHJYFZSA-N 435.547 4.555 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC=C(C(C)(C)C)CC1 1595658554 GMEXLGJHVLQGTB-OAQYLSRUSA-N 436.600 4.968 30 10 IJEE C[C@H]1CCc2sc(NC(=O)c3nc(Br)c4ccccn34)c(C#N)c2[C@@H]1C 1595890973 GFPMNEMDRUSEPS-WDEREUQCSA-N 429.343 4.968 30 10 IJEE C#CCN1CCC(C(=O)N(CC)Cc2cc(F)ccc2Oc2ccc(Cl)cc2)CC1 1610901431 IHNZTQMVDWYSSA-UHFFFAOYSA-N 428.935 4.965 30 10 IJEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2nc(C)cs2)C1 1614193584 AEZHQFPQRHXJLY-AEFFLSMTSA-N 436.585 4.534 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C)c1ccccc1 1616818114 PFJAWSHBDKXVQJ-YTTGMZPUSA-N 444.512 4.649 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)C1 1617498647 DVIVQWDKWBJHAA-JOCHJYFZSA-N 449.628 4.524 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 1620605787 AEMYWQASTVMWAX-YADARESESA-N 447.645 4.517 30 10 IJEE CCCc1c(NC(=O)C2=Cc3cccc(OCC)c3OC2)cnn1-c1cccc(C#N)c1 1625514061 AFGSYDMIQWYARE-UHFFFAOYSA-N 428.492 4.510 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)C1 1631292842 CXEDQSBZTMUOHD-LJQANCHMSA-N 438.593 4.579 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1)c1ccc(F)c(F)c1 1633019666 NKSTVSGMVYVFQS-CVDCTZTESA-N 430.495 4.948 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)c2ccccc2SCC#N)CC1 1635542618 COXSIBWBWVPJNZ-HXUWFJFHSA-N 443.613 4.800 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1635880333 LQNMUUVBBKWCHN-HZCBDIJESA-N 429.605 4.758 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cc1 1636565030 FZORMUGAXJDTLM-FQEVSTJZSA-N 448.548 4.899 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C 1637513968 HPIWPPMEPYPWCF-ROUUACIJSA-N 435.524 4.820 30 10 IJEE CCc1nc(C#N)cc(Sc2nnc(-c3ccccc3Cl)n2-c2ccc(OC)cc2)n1 1639220136 DCNKHEZZCIPOIT-UHFFFAOYSA-N 448.939 4.972 30 10 IJEE Cc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1641807034 CWSJYGGSDWJXHV-VWLOTQADSA-N 440.591 4.979 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 1641844355 XNLIDOJIYWBQNW-NSHDSACASA-N 438.336 4.682 30 10 IJEE N#CC(CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1 1642024884 HLMQPJRQJRCBGU-VWLOTQADSA-N 442.538 4.921 30 10 IJEE C#CC[C@H]1CCN(CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)C1 1648291162 VHOQMZUNBULSGI-NRFANRHFSA-N 426.564 4.946 30 10 IJEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CSc2ccc(-c3ccccc3)cc2)CC1 1651767600 APGFIQBEJFYLDG-QFIPXVFZSA-N 433.602 4.916 30 10 IJEE CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COc1ccc(Br)cc1C#N 1656368531 BDBBRKNGXOFWQJ-UHFFFAOYSA-N 428.113 4.665 30 10 IJEE Cc1nc(S(=O)(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(-c2ccccc2)s1 1659813286 GZMIDCOPXCJGJT-UHFFFAOYSA-N 425.579 4.837 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Br)cc3nc(C)oc23)cc1 1660927837 WRPNYWOLDNQTTE-UHFFFAOYSA-N 444.289 4.850 30 10 IJEE Cc1ccccc1[C@H](CO)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1666028137 CZOIDFNEVJKHHF-VWLOTQADSA-N 429.520 4.837 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cscc2Br)cc1 1666390104 USBKHKPJNSKFSM-UHFFFAOYSA-N 448.386 4.989 30 10 IJEE CC[C@H](COCC(F)(F)F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1668189253 HDMLSDVNMBPNEE-GOSISDBHSA-N 435.446 4.811 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2 1668335873 PJMSCEUVOGDSED-HGHGUNKESA-N 428.577 4.720 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(N2CCCCC2)nc1 1670845552 QWSZWCKCJNXHMS-UHFFFAOYSA-N 445.361 4.721 30 10 IJEE CC(C)(C)C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1 1674128440 HCFVFXNAIRLQHK-FCHUYYIVSA-N 436.531 4.669 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 1675126196 JWATYJXNQLPWCS-FQEVSTJZSA-N 431.458 4.599 30 10 IJEE C#CCN(C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@@H]1CCCc2ccccc21 1675385639 SYJGIXCAUKTANR-LJQANCHMSA-N 439.441 4.831 30 10 IJEE C=C(C)[C@H](NC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)c1ccc(F)c(F)c1 1677367792 QGMLHYZUIZDDRD-QHCPKHFHSA-N 444.522 4.947 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1679423148 QADPTMZGMJLSGH-PZJWPPBQSA-N 449.979 4.989 30 10 IJEE C#CCC1(NC(=O)N[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)CCOCC1 1679854670 FBUHHVVUTUBVQQ-NRFANRHFSA-N 430.520 4.648 30 10 IJEE CCN(CC)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1cccc(OC)c1 1681956800 BBJHTRZOYXSJRV-DSNGMDLFSA-N 434.584 4.559 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(Cl)cc1 1683675899 HOVUWXOLJQSSOR-PZJWPPBQSA-N 425.319 4.889 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 1685798699 DMIMVRXUFFVGDJ-UXHICEINSA-N 431.458 4.817 30 10 IJEE CC(C)c1ccc(C[C@H]2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)C2)cc1 1687235483 GCZNZJQBMJNLSZ-JOCHJYFZSA-N 430.596 4.925 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCCOC)C1 1689879870 JYEOXHGCMXRRPM-QHCPKHFHSA-N 438.616 4.678 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(C)C)CC1 1689880161 SPXASGXWRPMEKA-HXUWFJFHSA-N 439.673 4.713 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1689895569 YNWIPJNKZCDDQH-VQTJNVASSA-N 442.554 4.594 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1690040881 RKVAVWIJGYFKJF-NBGIEHNGSA-N 438.019 4.572 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1690225643 GLJGLZBILICLHC-IBGZPJMESA-N 440.345 4.599 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1690337115 DJSOKTICAHKPEO-QGZVFWFLSA-N 428.920 4.958 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC=CO1 1690446871 HFDSSLMDTFVUGT-QGZVFWFLSA-N 434.382 4.911 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1c(C)noc1C 1690449674 NKMFMXPLWPRQIG-JOCHJYFZSA-N 437.544 4.626 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)c1ncc(C)s1)C1CC1 1690541207 RYEHGWNANXWDMV-HNNXBMFYSA-N 439.585 4.686 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cccs2)C1 1690686700 RZURMVMZUXHQOK-LPHOPBHVSA-N 444.988 4.963 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(COC)c1 1705481596 JNZSTTCLCAKOTF-ZWKOTPCHSA-N 434.609 4.784 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@](C)(CC)C1 1705509577 KUOMNEXQLVYTOH-LJQANCHMSA-N 437.407 4.578 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705510052 NCCPQJACHBFBKX-ZEQRLZLVSA-N 430.600 4.970 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1705519087 YDUPUXHNKVPPLS-UHFFFAOYSA-N 449.002 4.802 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705537003 QFYSKVSTPHUJIF-UHFFFAOYSA-N 444.627 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC1 1705696439 NWTUXUBNHXLQCI-ICSRJNTNSA-N 445.405 4.843 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC(C)=C(C)C1 1705740243 GFRZTZCXYMFRNB-UHFFFAOYSA-N 428.602 4.718 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1Cc2cccc(Br)c2C1 1705752059 HADXZRIZFAIPLV-UHFFFAOYSA-N 430.737 4.684 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)CC1 1705772873 YDKGKZOWJJRRRQ-IBGZPJMESA-N 433.581 4.825 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@]2(CCCOC2)C1 1705813528 KOVBGMCXNAPBKR-NRFANRHFSA-N 449.368 4.820 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCSCC(F)(F)F 1705859095 HKQUUBMOHFXTRI-UHFFFAOYSA-N 433.503 4.828 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CC(C)(C)C1 1705873804 VUOIDKJFUBDTBC-UHFFFAOYSA-N 446.599 4.851 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2ccco2)C1 1706441514 DIDATYVYSFOXCO-BWKNWUBXSA-N 433.556 4.591 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(OC)CCCCC1 1722284512 KGSMFKSFRTZRQP-KRWDZBQOSA-N 445.405 4.823 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1722326417 HIGDXYLAFHEFFK-OXQOHEQNSA-N 439.922 4.512 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)[C@@H](C)C1CCC1 1722330402 STAHNEJEYAYRMT-IBGZPJMESA-N 446.599 4.664 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2ccco2)nnc1C1(c2ccccc2)CCC1 1722488638 JGEQZSGXXHMRML-UHFFFAOYSA-N 427.346 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCCCCC1 1722502564 TXYORWMFMLSUQJ-LNRXMEIDSA-N 430.637 4.948 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2csc(CC)n2)CC1 1722565325 YNFZYGLJKJXUJH-MRXNPFEDSA-N 427.549 4.781 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)c1ccccc1 1722594828 REUQFLBZLBRYNF-QZNHQXDQSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722609260 CQXIJYKVBQWKRU-QFIPXVFZSA-N 438.616 4.907 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC1(C)C 1722623585 JAIDCRYGFYAERT-UHFFFAOYSA-N 433.394 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCn2cc(C)nc21 1722637302 RTXAXKOCAKOYDS-HNNXBMFYSA-N 431.371 4.957 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1CCO[C@@H](C)C1 1722668452 YYAGISSQVGMWJK-SFTDATJTSA-N 437.588 4.531 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](SC)C(C)(C)C 1722673190 KZAWMSLGGGQQFU-OAQYLSRUSA-N 438.645 4.691 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCSC1 1740556803 JJFYMTKJKBJINQ-GJZGRUSLSA-N 439.412 4.765 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1nc(C(C)(C)C)cs1 1740599445 AQZOICGUBYDLEA-INIZCTEOSA-N 441.576 4.623 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(F)(F)CC1 1740713798 QYHYRMKTUVSVDQ-UHFFFAOYSA-N 448.583 4.972 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1Cc1cccs1 1740714595 DGELPKPDLHLETA-GOSISDBHSA-N 438.622 4.593 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1cc(C)ccc1OC(F)F 1740729913 NPDJSKXWNTZYJX-XMMPIXPASA-N 437.494 4.599 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1C 1740741761 ZBAOFEFECKOXFY-ZDUSSCGKSA-N 440.183 4.913 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1740747264 CPRPGXNPHNFAIK-CRAIPNDOSA-N 425.415 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCC[C@@H]1CC 1740777163 PDQUAJNSUIRGGV-BHDDXSALSA-N 431.669 4.864 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740800547 FWJJWXRTCWGTGQ-FFZOFVMBSA-N 427.980 4.915 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1740835653 NIVKTXMJBKMINN-NFBKMPQASA-N 425.533 4.603 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1740841177 STMXMZXGRPROIO-NRFANRHFSA-N 441.576 4.563 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1c(F)cccc1F 1740924668 ZOEOZTXZPSPIBZ-HXUWFJFHSA-N 430.524 4.905 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C)C1)C(C)C 1740926099 FZENLYQHUZZCLX-QPPBQGQZSA-N 432.616 4.752 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1csc(-c2ccco2)n1 1740931171 CFDOEPWHPDUVMV-UHFFFAOYSA-N 435.528 4.951 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCc1nc(C)c(C)s1 1740935439 MIEXILLTLPGBHN-UHFFFAOYSA-N 432.597 4.824 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)O[C@@H](CC)C2)cc1 1740967818 RGJQAUSQPVQKKW-RXVVDRJESA-N 438.597 4.547 30 10 IJEE CC(C)[C@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N 1741123927 CDXTYKBQZMWGIH-BMQTXXJKSA-N 445.995 4.728 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(Oc2cccc(F)c2)nc1 1741131613 GJTFSWKVARIDTO-KRWDZBQOSA-N 436.535 4.837 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@H](F)C2)cc1OC 1745802918 FKSYZDMWDZHCCY-LMMKCTJWSA-N 429.540 4.619 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(COC)CCCCC1 1748639530 IQRUFDGMVVHKEU-RBUKOAKNSA-N 428.552 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1CCO[C@H](C)C1 1748915020 NMELVBPHMAGVJV-CVEARBPZSA-N 449.368 4.511 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(=C)Br 1748917173 OYBDJAPCDUWZLX-UHFFFAOYSA-N 431.378 4.738 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1749027737 UBICSBYRLWXPLB-HNNXBMFYSA-N 428.911 4.744 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1749095729 AMDUOBJVYWRMRU-PKOBYXMFSA-N 438.373 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1749163349 HDINZCKZAAYPRQ-UHFFFAOYSA-N 437.632 4.607 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1749169436 YYVIYFNHISTXPV-IBGZPJMESA-N 434.588 4.638 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](COC)OC)CC1 1749330814 ORQRHRUWQVIQEI-INIZCTEOSA-N 447.004 4.877 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC=C(Br)C1 1749401037 RFEWOTALPNFSPA-UHFFFAOYSA-N 437.332 4.992 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1749467579 UASRYBMGBZEREB-IEBWSBKVSA-N 433.394 4.781 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(COC)CCCCC1 1760101433 PQRHOMXTIXWIHZ-FQEVSTJZSA-N 431.584 4.857 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@](F)(C#N)C1 1760130098 DBOXCLYJZVZFTC-VWLOTQADSA-N 430.531 4.598 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC2(CCC2)C[C@H]1CC 1760161602 KWIMWVJHOKYAON-UXHICEINSA-N 441.620 4.923 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@@H](C)C1CCC1 1760161859 MUONVNLGHGXWNP-PZJWPPBQSA-N 443.636 4.821 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(C)CCCC2)CC1 1760255446 AQITVPIMFXGOHY-UHFFFAOYSA-N 432.399 4.587 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(CC)C[C@H]1CCCO1 1760320752 XMYNCXUMBYYLCM-UEXGIBASSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OCC)cc1 1760322801 XTWZZJZKPQEGEQ-OFNKIYASSA-N 426.605 4.883 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](OCC2CC2)C1 1760343797 UVERRIIMFNUGQQ-KRWDZBQOSA-N 449.368 4.818 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1760376104 FKLNSKRAHKSLHA-BEFAXECRSA-N 432.952 4.788 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760408680 DZTDDBPUTJJBSJ-HXUWFJFHSA-N 449.559 4.703 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H]1CCN(c2ccccc2F)C1 1760486851 BKWOONRAHKPXLC-SFHVURJKSA-N 425.577 4.760 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760507702 ZGHVTUQKZVFZHO-QGZVFWFLSA-N 435.597 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)COCc1ccccc1 1772523090 UTQLYEQMQDRGGS-UQBPGWFLSA-N 449.986 4.839 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1772523123 HMEBGMLNIBSURP-VHFRWLAGSA-N 449.643 4.704 30 10 IJEE O=C(O)c1ccc(N=C2S[C@@H](Cc3ccccc3F)C(=O)N2Cc2ccccc2)cc1 1772728173 QQOAMFHHZQDSGI-NRFANRHFSA-N 434.492 4.898 30 10 IJEE Cc1cccc(N=C2S/C(=C3/C(=O)Nc4ccc(F)cc43)C(=O)N2c2ccccc2)n1 1772735817 IXUXHDXAHDYSLH-QYGNLKCASA-N 430.464 4.660 30 10 IJEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@@H](Cc3ccc(Br)cc3)S2)cc1 1772742076 XLMXPPYDKXBYGG-GOSISDBHSA-N 444.398 4.911 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CC 1861028953 STCBQSJAMFBVAV-BEFAXECRSA-N 425.957 4.869 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 1862477021 RLRWXXUGNGFAPL-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)cc1 1862483329 ZWLODLORCWUGLT-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(Br)c2)cc1 1862540088 FVUKSIPBHBKDFT-IBGZPJMESA-N 426.310 4.752 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540514 PIYBEUXXUVBEAM-IBGZPJMESA-N 428.872 4.797 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862590462 JHQITKGEWCQYEQ-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725150 BZACQODZCPGPKW-HJPURHCSSA-N 447.918 4.966 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(-c2cccc(OC)c2)n1 1869305944 AKNZPYRUKRQVQI-UHFFFAOYSA-N 443.507 4.933 30 10 IJEE CCCCCCCOc1cn(CCCn2ccnc2)c(CSc2ncccn2)cc1=O 1870259768 ICHVDPKIWKSVJA-UHFFFAOYSA-N 441.601 4.567 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 1871427196 SFWXIQDFLCXPPT-BKUYFWCQSA-N 438.476 4.510 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871438692 MKZRZWZHFQJGOA-QRVIBDJDSA-N 445.446 4.970 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1nc2ccccc2s1 1871439976 TWLVITBPYRQWAT-LPXFMOJISA-N 432.457 4.912 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)=O)ccc3C2=O)c1 1871441384 BLURBCRXXSCURA-CFRMEGHHSA-N 443.455 4.532 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Br)cc1)S(=O)(=O)CCC 1871748661 QTFLSQPUZCKDPE-SFHVURJKSA-N 445.423 4.564 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871853438 VMUMLVBOGNMMFQ-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE CCc1cccc(C)c1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872767825 AUCDRASHEMKDHD-WOJBJXKFSA-N 429.545 4.910 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3cc(F)c(F)cc3F)C2=O)cc1 1873235753 NVQZZCCBNHRHNE-UHFFFAOYSA-N 447.416 4.676 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)cc1OC 1874320777 JJGGKJXLNACNBY-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE CCOc1c(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cccc1OC 1874446206 VOTSBBMZXCAWEK-UDIPQKBFSA-N 438.553 4.711 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCC2)n1/N=C/c1c(Cl)cccc1Cl 1874498478 KDHXAXXJYMPCHH-UFFVCSGVSA-N 427.357 4.780 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCCOc2ccc(C)cc2)ccc1OC(C)C 1874566846 QRSHRMUSIYQKOZ-BUVRLJJBSA-N 440.569 4.565 30 10 IJEE COc1ccc(CC(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875127355 AGBRKLRIVFJHQM-SDNWHVSQSA-N 432.472 4.757 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1930735847 UQWPXHLWCOLZBF-LBPRGKRZSA-N 433.140 4.864 30 10 IJEE CC(C)[C@H]1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1937129518 FNRALHSFONIBQV-NQIIRXRSSA-N 425.495 4.979 30 10 IJEE C=CCN(CC(=C)Br)Cc1ccc(I)c(Cl)c1 1962796785 QMXZUPPNKFTUFR-UHFFFAOYSA-N 426.523 4.841 30 10 IJEE CCn1c([C@H](C#N)C(=NS(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 2053505708 VFXIYVXNFLBCQE-QGZVFWFLSA-N 434.546 4.603 30 10 IJEE C[C@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@H](C)N1C(=O)OCc1ccccc1 2054429184 TYSXRDIXZAKRPS-GJZGRUSLSA-N 446.320 4.696 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C3CCC3)c(/C=N/O)c2I)cc1F 2079137550 OBOABZHFJIRNIX-GXBAXFRPSA-N 427.261 4.620 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1 2079902952 FRZDWJMABFCDCO-CQSZACIVSA-N 445.251 4.941 30 10 IJEE Fc1cccc(F)c1-c1c(C(F)(F)F)nn(C(F)(F)F)c1I 2080807647 JDKDTGZNCWSATM-UHFFFAOYSA-N 442.047 4.928 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1F 2102877178 GAWMYBAXOPIUKX-FUHWJXTLSA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)C(C)(C)C1 2106118433 ZSGOZUFXWGRWQM-INIZCTEOSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CN(c3cc(Br)cc(F)c3C#N)CC[C@H]21 2174810477 MXQMJBHUSVYWBG-SUMWQHHRSA-N 438.341 4.686 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190477308 DNWZIVMGFQKERE-POMLREGLSA-N 447.428 4.802 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2235720917 CYMIIWPEADZFGR-WSTZPKSXSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2235722803 GERYJGKTTVKBOH-MJGOQNOKSA-N 435.406 4.672 30 10 IJEE CC1(C)OB(c2sccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2255813270 RJXCRYOGJSNBFE-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCCC1 2267222053 VTJUGGHQBWYQFJ-UHFFFAOYSA-N 436.405 4.640 30 10 IJEE CN(Cc1ccccc1I)c1cc(Br)cc(F)c1C#N 2280257925 PIDNZQAINTURGW-UHFFFAOYSA-N 445.073 4.701 30 10 IJEE CC1(C)OB(c2csnc2C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C 2281804299 KDDHGVGHNSVLRS-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC1(C)OB(c2csnc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2282516750 KCGYQZYYBHZQNX-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296218199 BOCNEAUHBZEAHQ-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2cccc(Br)c2)CC(C(F)(F)F)C1 2296224474 KPSIWICWYGLXQT-UHFFFAOYSA-N 446.263 4.606 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@H](O)C#Cc1cccc(Br)c1 2296227045 LLCMARINCYXBPI-MJGOQNOKSA-N 448.382 4.758 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2296309979 CSMAUKSUGKUHBI-JXFKEZNVSA-N 435.406 4.814 30 10 IJEE COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)OC(=Cc1ccccc1OC)C3=O 2297591702 XCMQUERMTMMCBA-QGZVFWFLSA-N 429.428 4.507 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CCCCC1 2302429475 VGNFFXGINYILTK-QZTJIDSGSA-N 437.581 4.522 30 10 IJEE N#Cc1ccc2c(c1)CCN2C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302869798 PRLOKAYFLRCRQQ-UHFFFAOYSA-N 449.510 4.519 30 10 IJEE SC[C@@H](COCc1ccc(I)c(Br)c1)C1CC1 2306305578 ZPXWUYOFYFIQAX-LLVKDONJSA-N 427.145 4.526 30 10 IJEE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1cc(Cl)ccc1Cl 2313601829 ZPXCBDDGXPUWIC-UHFFFAOYSA-N 447.351 4.953 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2319748643 KNZLWDCZNIUDER-INIZCTEOSA-N 430.354 4.650 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccccc1Cl 2320992370 SVWWQIXOKXADQW-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C)n1N=Cc1ccc(Cl)cc1Cl 2321178268 DYPURAFUBSZVRZ-UHFFFAOYSA-N 428.389 4.516 30 10 IJEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CC2)C4)c2cc(OC)ccc21 2322054699 QNYJLWWKZCGNFT-UHFFFAOYSA-N 430.504 4.909 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c(OC)c1 2323283357 ZJXSJEWXTYMPSP-IBGZPJMESA-N 445.515 4.856 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3ccccc3F)C4=O)CC2)c1 2324187034 DGVRFVRUQVXYKV-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325086421 SPXUTFWRBGKRGO-SFHVURJKSA-N 425.437 4.630 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccccc1F 2325669729 WTUIWAGZKPVQJM-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)c1 2325744492 DZVABONBYUUJNO-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CCOc1cc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCC)ccc1O 2327542388 VYNGBOZPBAQZRY-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)ccc1O 2330674939 DFZDXKPOYJCCOP-UHFFFAOYSA-N 445.504 4.776 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1OC 2330707529 RLUBOQZTGSXPKB-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(O)c1 2330825679 LMYCVGCWVPFXJQ-UHFFFAOYSA-N 425.514 4.655 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1C 2330863159 NOVPDBHQOOZRCC-UHFFFAOYSA-N 429.634 4.798 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 2330994315 JFXUHEFYNSDFRY-SFHVURJKSA-N 443.916 4.866 30 10 IJEE CCCOc1ccc(C=CC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 2331305707 KHOGSSMGDQMMFP-UHFFFAOYSA-N 440.499 4.896 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccc(F)c1 2331392278 MEEWRAXFPLAZDS-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2c[nH]c3ccccc23)o1 2331512201 NFELCUNNLIJBLR-UHFFFAOYSA-N 449.536 4.971 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)C1CC1 2331692899 YIISKGKQMVURST-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(COC)c1 2362289419 BPMMDFIOBYAMNS-MOPGFXCFSA-N 439.394 4.553 30 10 IJEE Cc1scc(CN(C)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1Br 2369743997 WTRRKKIIYVMBSO-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE O=C1/C(=N\Nc2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccc2ccccc2c1 12649994 HVIYMKGSEMZRHL-FVDSYPCUSA-N 434.455 4.788 30 10 IJEE Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccccc3Cl)CC1=O)N2 17095135 SQXAPVUMSBRBFR-QKVFXAPYSA-N 426.854 4.934 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccncc2)c1 33382629 TYMNRDJWINDLOK-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 34955295 LJNGJHDAQVUDLS-MKMNVTDBSA-N 446.455 4.606 30 10 IJEE Cc1nn(-c2ccccc2)c2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C2 39853290 NODMJRZIWFFTDN-HKOYGPOVSA-N 434.456 4.786 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCC)c1 40096011 IHCKEMZGSGDLMY-MZNJEOGPSA-N 447.531 4.953 30 10 IJEE C=C(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)N(C)c2ccccc2)cc1 66092317 NKNFLCNLXOYEEX-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 135880852 NJKYYOKTBAODMS-NHDPSOOVSA-N 431.905 4.672 30 10 IJEE CCOc1cc(/C=N\Nc2cn[nH]c(=O)c2Cl)ccc1OCc1cccc(Cl)c1 169887367 QHULOGBWYGEKNS-RMORIDSASA-N 433.295 4.500 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2Cc2ccccc2)ccc1OCc1ccc(C)cc1 169911533 SMAIHTWRCNMXKG-QQXSKIMKSA-N 444.560 4.936 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cccc(F)c1 169940322 OLZOCISGIMVWRN-XMMPIXPASA-N 431.463 4.936 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOC)cc1 170034462 PUTHYKBUFMBVFG-QFIPXVFZSA-N 441.499 4.538 30 10 IJEE O=C(O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170051241 JCJYHOUWCGESBI-OAQYLSRUSA-N 447.874 4.817 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C)o2)c1 170100216 MRFPTMTVPDKLKR-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)cc1Cl 170144251 ABDZGPLMVZQFGO-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)c(C)c1 170160983 IWHBTGFSZOQLNK-NRFANRHFSA-N 430.485 4.720 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)c1 170167664 IGDFNYGTABGJAO-JOCHJYFZSA-N 426.428 4.619 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccn1 170167894 PWNMJIHLCQGLEM-IBGZPJMESA-N 440.908 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccn1)c1cccc(Cl)c1 170176937 MABWYPANBLTREW-LJQANCHMSA-N 426.806 4.796 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)c1 170190284 CEUFFQKWUPNRIF-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC)cc1 170213063 MRJKWPJIMONJNT-DEOSSOPVSA-N 449.547 4.579 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)c1 170241657 JCTFATYVFMYLNX-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccco2)cc1 170278781 BVKLKLGBLNXKBX-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccco1 170288663 FEMUENLWDNVWGY-LJQANCHMSA-N 438.823 4.933 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)c1 170289644 KTCCKOUPLMVRDX-JOCHJYFZSA-N 428.444 4.723 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(N(C)C)cc1 170444842 IDWZVDQOFMFKMJ-LJQANCHMSA-N 432.442 4.897 30 10 IJEE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=Nc2ccc(N3CCOCC3)cc2)c1C 252617168 KNNVKHHCIYNZHN-UHFFFAOYSA-N 434.496 4.598 30 10 IJEE CC[C@H](C)Sc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)[nH]1 253566236 IRTDHRCOLNTGLZ-PFRBSUFTSA-N 438.605 4.626 30 10 IJEE Cc1ccc(CN2C(=O)C(=NNC(=S)Nc3cc(C)cc(C)c3)c3ccccc32)cc1 254713547 FERGKYZGGHVCME-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 435329923 RLOKSGHQKPAPJH-UHFFFAOYSA-N 434.290 4.894 30 10 IJEE COC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(F)cc1 437985670 KRLVVHUVZQMXNV-QFIPXVFZSA-N 437.446 4.925 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)COc1ccccc1Br 475572925 QJCIFHNEHLGUPW-KRWDZBQOSA-N 447.373 4.862 30 10 IJEE COC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 504808385 GMZMLOLHVDAHTM-BCCVMWATSA-N 434.495 4.620 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4OC)c(F)c3)cc2C1=O 510268720 JOPKOOZHQCVFBI-UHFFFAOYSA-N 446.434 4.661 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 513633655 OHDUBFOAVUIVEF-JOCHJYFZSA-N 426.469 4.809 30 10 IJEE C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549273232 WTAOSKIRLJCNFD-QRWLVFNGSA-N 427.980 4.973 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)cn2)c1 603692231 DSQOCOFLZWNBFE-UHFFFAOYSA-N 433.899 4.753 30 10 IJEE N#Cc1cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 687736000 IQDHQJDOHYKDHN-QHCPKHFHSA-N 430.435 4.752 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1=S 727431720 XLEBDMRPFNPJQZ-AVRDEDQJSA-N 436.581 4.695 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSCc1cc(Cl)ccc1OCC#N 751603150 NUKHXZIXHNBFJU-UHFFFAOYSA-N 440.956 4.917 30 10 IJEE CC[C@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)c1ccc(F)cc1F 754759110 CYFOSSNEUCWEAW-AWEZNQCLSA-N 432.370 4.742 30 10 IJEE N#CCCn1cc(C(=O)COC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c2ccccc21 755099176 UHQUZEKHMACMBI-UHFFFAOYSA-N 445.353 4.522 30 10 IJEE C#CCN(C(=O)Nc1ccnn1[C@H](C)C1CC1)[C@H]1CCOc2ccc(Br)cc21 776022065 JNEXEIDIBOACEQ-KDOFPFPSSA-N 443.345 4.608 30 10 IJEE O=C(/C=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(F)(F)F)nc1O 794701421 VFPANIXDABPESI-LREOWRDNSA-N 427.304 4.907 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 802566986 KHWVOWUSHVKWJL-UHFFFAOYSA-N 431.009 4.787 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1)c1ccc(Cl)cc1 810472269 HTUSLUVAELXLHQ-GOSISDBHSA-N 440.286 4.610 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1)c1ccc(Cl)cc1 812913933 CEIGBOJIXOETMC-DHIUTWEWSA-N 426.944 4.568 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 921164721 PKMLRDLETMYQKH-UHFFFAOYSA-N 431.410 4.871 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N=c3sccn3Cc3ccccc3F)c2)cc1 1124467322 AAWDSPCOBSTWPY-UHFFFAOYSA-N 443.503 4.929 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCCc1ccccc1Br 1124535880 UVWZQUQGJOSNIQ-UHFFFAOYSA-N 447.325 4.901 30 10 IJEE C#CCN(C(=O)Cc1c(C)cccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1126151365 OORAAMAZHDCTMH-LJQANCHMSA-N 432.745 4.939 30 10 IJEE C#CCN(C(=O)c1ccc2nc(C)sc2c1)[C@H]1CCOc2ccc(Br)cc21 1126151948 VZCRMAFFGVVXGM-SFHVURJKSA-N 441.350 4.966 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 1128600716 PMTFSVLQUZNMKZ-UHFFFAOYSA-N 445.563 4.813 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@]23CCC[C@@H]2C3)c1 1134196390 KVWHCPBBZDLADZ-JPYJTQIMSA-N 444.984 4.641 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1Br 1135642487 HWCXLHNWUSIHDG-SFHVURJKSA-N 444.329 4.720 30 10 IJEE CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(Cl)c1 1136454500 BCZWXVUREGJUOT-UHFFFAOYSA-N 441.896 4.628 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Br)c(CO)c1 1144131584 NEMCYKRNIGGVDY-UHFFFAOYSA-N 430.220 4.777 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCCCCC1 1146225361 BUZVNTXLXRDJDX-QHCPKHFHSA-N 443.632 4.928 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 1149257539 SFLGKBAZHOOORX-UHFFFAOYSA-N 447.510 4.876 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1149317350 JQVJAWYWUBJRFL-FPTDNZKUSA-N 432.952 4.739 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2cc(C)cc(Br)c2C1 1175277220 RNPNTKIKYVGWCI-INIZCTEOSA-N 433.415 4.780 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(OCC(C)C)ncn1 1208264892 ITTMYJYPWFXRRU-UHFFFAOYSA-N 437.313 4.633 30 10 IJEE C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1211000153 YVCRVSMDLAACTR-LPHOPBHVSA-N 436.408 4.865 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cc(OC)c(O)cc1Br)c1ccc(F)c(F)c1 1234564961 BDCZLDCUMRNZML-SFHVURJKSA-N 441.272 4.558 30 10 IJEE C=CCC1(CNC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)CCCC1 1248675266 RYLPCACIUATGQS-NBVRZTHBSA-N 447.988 4.812 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cc2ccccc2S(=O)(=O)C(F)F)cc1 1264521588 FKLQPDGDWRIPDI-FQEVSTJZSA-N 440.471 4.520 30 10 IJEE N#Cc1cnc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)c(Cl)c1 1264628642 BBMIAVQFKLYEQH-UHFFFAOYSA-N 443.265 4.581 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 1265216943 SUTWUKBRBNOYPQ-UHFFFAOYSA-N 425.891 4.648 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)cc(OC)c1OC 1279757358 ZRUFMROHJLVVEW-LLVKDONJSA-N 440.284 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCCc1ccccc1 1286273315 HJUXJPMFKJOREI-KRWDZBQOSA-N 440.389 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1Cc1nc(C(C)C)cs1 1286527517 LOWZMCGMLLBYHY-XMMPIXPASA-N 435.597 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)CC1 1286548980 CSXUNDVUHUGPFB-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](CCC)C1 1286550918 KCSKNVYDBBMUIV-GIVPXCGWSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1286563560 VMTSQEFAWWBNBL-KUHUBIRLSA-N 437.346 4.965 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCC(OC)CC1 1286569455 QMNVTWALWMXXQM-UHFFFAOYSA-N 446.039 4.890 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCCCCC2)C1 1286667414 JTRMUPXOUFJXQX-HXUWFJFHSA-N 434.625 4.534 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2ccco2)C1 1286673919 JHKADJYTWZFEDC-JOCHJYFZSA-N 436.556 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C2[C@H]3CCC[C@H]23)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286677053 WOXGQAJXXKIUDA-RDGPPVDQSA-N 443.636 4.886 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(C)C)C1)c1ccccc1 1286677960 NATZXRUKXFXIDU-DHIUTWEWSA-N 435.616 4.746 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286685580 XCFSATSQVJOYPR-NHCUHLMSSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CC(C)(C)N1CCC(OC)CC1 1286749540 VQYZWZJJOXWQQK-UHFFFAOYSA-N 443.661 4.689 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC1(CC)CCOCC1 1286749641 BUDMXXNITHSVHX-UHFFFAOYSA-N 437.613 4.725 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)C2CCCCC2)C1 1286805286 PTFPQBSPOWXMOU-CYFREDJKSA-N 445.007 4.711 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](SC)C(C)(C)C)C1 1286805833 UZPFKKWUJBXOBV-UXHICEINSA-N 430.618 4.513 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@H]1CC 1286824940 CSZJSLZRWWDLIN-GOEBONIOSA-N 438.439 4.590 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CCCC2(CCOCC2)C1 1286834562 ILQXDJMKUGPDDO-UHFFFAOYSA-N 440.657 4.770 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)Cc2ccc(Br)cc2F)cc1OC 1287542298 AOEHHDRNOVBXKP-POHAHGRESA-N 434.305 4.833 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)c1ccccc1 1288364335 MHMFIIGZCORGFM-GOSISDBHSA-N 425.330 4.857 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)on1 1291976643 HPTAZXIFLLGDNU-RUZDIDTESA-N 443.555 4.887 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(CC)C1)CCC(F)(F)F 1295826850 DBPKPMUIGWODFE-JOCHJYFZSA-N 448.537 4.717 30 10 IJEE O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1F 1296990267 DAQRFUITDVXEAU-ZDUSSCGKSA-N 429.719 4.980 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(C)C1CC1 1300310470 XTPUMLGMWIYADO-GOSISDBHSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 1300376830 OTGQXTPLMSOWLV-ZCNNSNEGSA-N 429.609 4.636 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)(C)C)CC1 1300383656 DLJOPILJNYNAFI-IBGZPJMESA-N 444.023 4.796 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC1=CCCCC1 1300520414 JHTFRLUIIVFSHQ-UHFFFAOYSA-N 432.568 4.704 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(OC)C1CC1 1300601930 LXXQIJJNGNVWDS-UUOWRZLLSA-N 445.007 4.963 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCC1(C)C 1300656628 LCLRIEUJXMODIY-GOSISDBHSA-N 445.405 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1C/C=C/CC 1300790891 ZMKAPWHFTZIQDU-QQUYBBDPSA-N 429.362 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CCC 1300868129 CJQFKRYEGMTCFE-HKUYNNGSSA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1C(C)C 1300868364 DELYNOXILOAONG-IPELMVKDSA-N 448.409 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1300920454 BFMRZIVOABRNPL-UHFFFAOYSA-N 444.627 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2C)CC1 1301150219 OMQWDTOMXDEDBB-UHFFFAOYSA-N 430.600 4.886 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301207937 JESZDNAQURMPDG-MRXNPFEDSA-N 433.394 4.986 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(C)C 1301340625 ASACSTYWFOZNHC-UHFFFAOYSA-N 432.572 4.800 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCc1csc(CC)n1 1301346355 AXFVDLKPKOMTQW-UHFFFAOYSA-N 432.597 4.738 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301434302 IPBGKPLAUSWYGZ-HNNXBMFYSA-N 444.004 4.740 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1301606007 HDZNMYXMZXHXSV-NRFANRHFSA-N 432.597 4.523 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(CC#N)CC3)n2CCc2cccnc2)cc1 1304433304 BWUFDLBIBYEPJF-UHFFFAOYSA-N 432.597 4.647 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cccs2)o1 1306610001 ICWSOLQQNPWTDX-UHFFFAOYSA-N 432.553 4.812 30 10 IJEE C#C[C@H](N[C@H](C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1)[C@H]1CCCO1 1307703150 ORFBLWGTCGSATN-WWNPGLIZSA-N 431.561 4.569 30 10 IJEE C=CCN(C(=O)CN(C)CC(C)(C)CO)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1307805422 QAHNSSVPPBKYQG-UHFFFAOYSA-N 442.412 4.586 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)cc1 1310132479 SZONPTMGBIGAOI-KRWDZBQOSA-N 447.626 4.876 30 10 IJEE C=CCCCCNC(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1312541412 GFDKCPUUFVRJID-YADARESESA-N 429.561 4.545 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(OC)ccc1F 1313050655 PGHDVWOAJLVVHR-UHFFFAOYSA-N 425.273 4.634 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 1348611387 PFVJIHDBGPLBBP-UHFFFAOYSA-N 427.298 4.900 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 1353610784 WWOMBCXXCZXLPY-HLAWJBBLSA-N 437.521 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1c(CC)noc1C 1358898032 KZTAGPMHFOFYAB-KRWDZBQOSA-N 435.572 4.520 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1358982140 LUWJGOMIRMWJEY-FDFHNCONSA-N 430.596 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CC=CCO1 1358988082 BTKOWGTYMOFNBB-NRFANRHFSA-N 446.551 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCc1ccccc1C(F)(F)F 1359069945 BWSAHFYIWHPDHW-SIKLNZKXSA-N 432.490 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@H](CC)C1 1359095438 OEFIEQXHCVENNA-QKLQHJQFSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2F)C1 1359100327 ZYPRQYVOIIMFPP-JZWVFAODSA-N 442.579 4.565 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)C[C@@H]1CC 1359104248 ZLQOCQAVRZUDQP-NCAYHCJHSA-N 438.616 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(NC(=O)CC(C)C)c1 1359116261 FDWIPTOPDHUUBQ-OAQYLSRUSA-N 425.577 4.565 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C(C)(C)C)no2)CC1 1359175394 KBPQMYUXSNFXNP-UHFFFAOYSA-N 436.516 4.590 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1359193767 JDICVUINSZVKIA-HSZRJFAPSA-N 432.616 4.564 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)OC1CCCC1 1359218976 BQZVXXAUCVFFDC-UHFFFAOYSA-N 435.366 4.896 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@H]1OC)C1CC1 1359247742 NLRVUWXFQCSQRL-UKRRQHHQSA-N 437.407 4.739 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359284162 VPMVXSDWBHGHGK-RHSMWYFYSA-N 442.188 4.914 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(F)(F)F 1359337429 RRZTXTKCGXFMAR-CYBMUJFWSA-N 434.915 4.989 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CCCN1C(=O)OC(C)(C)C 1360405543 XGJMJZNGPMVJPY-DEOSSOPVSA-N 437.544 4.633 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](C)CC)c1 1435213780 ALZGADXNPXQLGP-DLBZAZTESA-N 434.989 4.886 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1435992176 FKGFJARMGOTKNJ-XMMPIXPASA-N 430.976 4.839 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1453341632 APNOJTUHSTWMPY-FOIQADDNSA-N 448.972 4.711 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)[C@@H]1CCCO1 1459222718 IGGPCZHVOMLQPY-UGKGYDQZSA-N 435.321 4.575 30 10 IJEE CN(C[C@H]1CCCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)OC(C)(C)C 1465482556 CSICTLZYBCBFOY-JOCHJYFZSA-N 434.540 4.773 30 10 IJEE C=C[C@H](C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1465512186 TZZMRCSOGDIGJT-DQEYMECFSA-N 433.573 4.828 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC(Cc3cccc(F)c3F)CC2)n1 1466153614 FXRIZAZRVNOVHP-UHFFFAOYSA-N 439.441 4.648 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCOc2c(Cl)cc(Br)cc2C1 1466207705 WGLCOQUQOSGFPZ-UHFFFAOYSA-N 435.705 4.541 30 10 IJEE C#CCN(C(=O)Nc1cc(C)cc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1467017731 NXTGHKPIQYTFIV-UHFFFAOYSA-N 439.478 4.880 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](CC(=O)OC)c2ccc(Br)cc2)c(Cl)c1 1467401930 SUBMCZFJFBAWHR-KRWDZBQOSA-N 435.705 4.510 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1 1467948474 AGVLYDRJWXIVST-UHFFFAOYSA-N 429.564 4.979 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)[C@H]1CCCO1 1469869332 YIAHPHFUESJMCD-LOSJGSFVSA-N 434.580 4.903 30 10 IJEE C=CCn1c(SCc2cnns2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1472922406 PIMMLERALAWPJX-UHFFFAOYSA-N 430.555 4.902 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN(C)Cc3ncc(-c4ccccc4)[nH]3)c2C#N)C1 1473295695 HOTXIHHRBDWZCV-INIZCTEOSA-N 433.581 4.595 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)CC1 1476419948 MHFYFZNYMJBWRE-UHFFFAOYSA-N 448.976 4.663 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccnn1Cc1cccc(Br)c1 1476466980 NZLFPAPJIZQRQJ-UHFFFAOYSA-N 425.330 4.914 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507532656 IGHZWCZEMDDRNX-LEDOBFOHSA-N 447.583 4.899 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H](C)C1CCC1 1507597121 VLVSADFLONNTCA-QUCCMNQESA-N 429.609 4.778 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507761433 GXDYHBXVQPLRAA-VAXXYWNWSA-N 442.007 4.827 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN(C)c2ccccc2)CC1 1507888166 CXUWBACUMZKEAU-UHFFFAOYSA-N 436.629 4.707 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCCOC)CC1 1507899378 DSEPBMQYORRCQG-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1507915713 XIKXEHNGEYNHAK-HXUWFJFHSA-N 439.604 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1c1nncn1C 1507918751 ITFMWMSPBWEXFR-HXUWFJFHSA-N 449.603 4.546 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C)CC1)c1ccccc1 1507929555 QXBCEVLDOOAHGU-NRFANRHFSA-N 447.608 4.786 30 10 IJEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1507956504 ALOKYRTXHLOKDT-MHADKKCISA-N 440.588 4.564 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](c1ccsc1)N(C)C 1507976755 GXKVPPCZMPGWLR-SFHVURJKSA-N 446.418 4.694 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1507995154 FKDYVDAHCDSKFU-DFBJGRDBSA-N 441.595 4.662 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1cccc(OC)c1 1508049904 MHVXVFURYDULRK-SFHVURJKSA-N 442.361 4.582 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC2CC2)C1 1508128267 NGUHNYXQHRTYAF-QGZVFWFLSA-N 437.371 4.745 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1508154093 UHQQSKDRHGAFPV-SFHVURJKSA-N 434.556 4.745 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CCCN1C(=O)OC(C)(C)C 1518784436 MLAXZSJGGXEMRI-YKSBVNFPSA-N 430.545 4.529 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCCN(C4CCCC4)CC3)n2CCCC(F)(F)F)c1 1521074732 BORZZKOESWWNNF-UHFFFAOYSA-N 446.521 4.614 30 10 IJEE C#CCN(C(=O)CCOc1ccc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1521818513 GGNZDPVDFIMCCZ-HXUWFJFHSA-N 442.353 4.820 30 10 IJEE C=CCN(C(=O)/C(C)=C/c1ccc(Br)o1)[C@@H](Cc1ccccc1)C(=O)OCC 1522164571 BXGLHOWCNDPRHN-IDCODDLRSA-N 446.341 4.634 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1C[C@]1(C)Br)c1ccc2c(c1)OCO2 1523443813 SFSUNDRJYOFQFC-VGSWGCGISA-N 444.325 4.687 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1524659786 ZYFDXRWLPLYXHU-HXUWFJFHSA-N 428.451 4.912 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(F)ccc1Br 1525590339 IGJWLWDTBYLQHJ-AWEZNQCLSA-N 428.302 4.504 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1cc(C)c(F)cc1C(=O)N[C@@H](C)c1ccccc1 1527545366 DRVOFLUNECTOMU-INIZCTEOSA-N 431.467 4.758 30 10 IJEE C=C(CNC(=O)c1cc(I)ccc1N1CCCCC1)c1ccccc1 1527584883 BSSJGMCFLOJPKQ-UHFFFAOYSA-N 446.332 4.725 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1528088753 PZZCCCGKQUWLEX-MSOLQXFVSA-N 437.378 4.569 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)no2)nnc1-c1ccc(Cl)cc1 1530808207 FIILUUPBLGVEJR-UHFFFAOYSA-N 443.838 4.522 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc3cccnc3c2)nnc1-c1ccc(Cl)cc1 1531784564 BLJXVGWENZOCBM-UHFFFAOYSA-N 449.967 4.741 30 10 IJEE C=CCc1cc(C(=O)N2CCc3cc(Br)cc(F)c3C2)cc(OC)c1OC 1537041982 NWZXEZUIFUIGHL-UHFFFAOYSA-N 434.305 4.532 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1537985204 RVMWTHBQVJOXJJ-AREMUKBSSA-N 441.616 4.804 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCC2CCCC2)c1 1539043341 OXYQTLZNBULKMI-QHCPKHFHSA-N 449.599 4.546 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC2(CC2)C1 1539065328 FKQBKMXYNOIDOP-FQEVSTJZSA-N 441.620 4.577 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1539132703 ACDDOEKANXWUCN-FQEVSTJZSA-N 430.980 4.708 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)CC1 1539873723 BTSFOQZFBKIEAU-GOSISDBHSA-N 440.979 4.761 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCN2CC)CC1 1539877739 DCBBJGZACUUARA-HXUWFJFHSA-N 444.421 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1539884441 JXBKDKVAPCJNJH-IBGZPJMESA-N 433.556 4.527 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1539947524 KLDDAVLVZWTQJQ-ZRCGQRJVSA-N 433.625 4.954 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccc(Cl)cc1)C1CC1 1540101541 GUBIMMNSHCWPMD-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H](C)C1 1540119476 JRKOHPLNZFCSSW-WPYKKVEZSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1sccc1C 1540121058 XXZKGNYDFXCQFA-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1C[C@H]1CSCCS1 1540185541 SWQRVGVPDJSFSR-FQEVSTJZSA-N 440.638 4.930 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(F)F)c1 1540853068 KMXDMOSYKSFFNJ-WOJBJXKFSA-N 448.558 4.821 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@H](C(C)C)C2)cc1 1540878245 SAWHQWMIPQCVTR-QHCPKHFHSA-N 449.624 4.839 30 10 IJEE C=CCc1cc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)cc(OC)c1OC 1543800226 HPYXPOGGSJVQHY-KRWDZBQOSA-N 430.342 4.825 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1C#N 1543967784 BOWXYSNXVCWWNT-UHFFFAOYSA-N 433.464 4.598 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1554162469 ASQPQVSQESWMNG-XZOQPEGZSA-N 444.583 4.689 30 10 IJEE COc1cc(CCn2c(CC(C)(C)C)nnc2N2CCC(CC#N)CC2)ccc1Cl 1554750456 AWJSTMGAXLLRQH-UHFFFAOYSA-N 429.996 4.901 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)Cc2cccc(Br)c2)c1 1561220630 CUGRQIILXAHYGO-UHFFFAOYSA-N 440.362 4.967 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1562673243 COWDPBFJHUUUSW-KRWDZBQOSA-N 436.512 4.824 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC(F)(c4cc(OC)cc(OC)c4)CC3)cc2n1 1563302050 SLODWFWOPITUGB-UHFFFAOYSA-N 438.503 4.732 30 10 IJEE C#CC1(NC(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)CCCC1 1563322818 OOKUCLXBAHBRBQ-UHFFFAOYSA-N 426.314 4.769 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 1564067601 ZHTODLOGCBHNCX-UHFFFAOYSA-N 447.760 4.646 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1)c1ccc(C(F)(F)F)cc1 1564407234 ZIXQHRGIBNKNKE-RBUKOAKNSA-N 437.506 4.659 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O 1570555697 ALPAKGYTDMWFLK-LBPRGKRZSA-N 448.832 4.955 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccc(Cl)cc1F 1583585335 RMKFOZXFPNRYCH-OAQYLSRUSA-N 447.897 4.990 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](C(F)(F)F)c4ccccc43)CC2=O)cc1Cl 1583689116 FDSPHJQMFTYARE-WMLDXEAASA-N 447.844 4.647 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN1C1CCCCC1 1587574674 KAJXCBMSAZWPQN-GCJKJVERSA-N 426.008 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cccnc1OC 1587592426 BONAUMAWAVWLIH-INIZCTEOSA-N 447.539 4.723 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)c1ccccn1 1587600344 XPZDOFLVXXNIHT-LJQANCHMSA-N 447.583 4.572 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 1587738524 FPEKHZJZTMURMX-UHFFFAOYSA-N 444.627 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC(F)(F)C1 1589243035 SPQHNPUKVXKWEC-WMZHIEFXSA-N 428.527 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC1CC(F)(F)C1 1589505375 LWFYHLUOGWHEIK-SFTDATJTSA-N 430.543 4.970 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC1CCOCC1 1589506315 UVVMODHBROVKBH-RBBKRZOGSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cccc(OC(F)F)c1 1589528015 CHHGGPTUODHNQG-QUCCMNQESA-N 432.515 4.765 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]2CCC[C@H]21 1593717306 CSQDSXANQXHZDN-YLJYHZDGSA-N 430.980 4.969 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1594226229 IJFVMBZJZCDBPG-QGZVFWFLSA-N 443.567 4.742 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1594498102 QFTPVEPWQSAXAS-IBGZPJMESA-N 442.604 4.736 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1594697760 GNDPTEKVJFWKFX-KRWDZBQOSA-N 443.020 4.904 30 10 IJEE CC(C)c1ccccc1Nc1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1594753765 DLSFXRCQDWCCKL-UHFFFAOYSA-N 425.536 4.783 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(OCC(F)(F)F)nc1 1594929620 LVOWTNXFLCELNA-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC=CO1 1595075630 JFEPOKJBFNCGER-JOCHJYFZSA-N 431.540 4.542 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC)OC 1595109423 ZHMDURAFRMISIN-GOSISDBHSA-N 444.377 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1595184932 HGIWKSRNZLHUNA-QUCCMNQESA-N 443.389 4.867 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1595212751 SGFHKIUZMJYBMS-FQEVSTJZSA-N 449.530 4.725 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1ncc(C)s1 1595261553 RKMMTKGFJYGOLM-MJGOQNOKSA-N 441.601 4.569 30 10 IJEE C#CCN(CC1CC1)C(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 1596408401 DPRMSTUNTVFHMK-UHFFFAOYSA-N 430.548 4.567 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3c(Br)cccc3C2)CCCN1C(=O)OC(C)(C)C 1610912370 JYCOXGJWIBTRED-JOCHJYFZSA-N 449.389 4.680 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(CCC#N)CC2CC2)n1CC1CC(F)(F)C1 1619105521 ASTFRTXCBQXUJL-UHFFFAOYSA-N 435.906 4.782 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@]3(O)CCc4ccccc43)cc2Cl)c1 1623028402 IAVKZTITADUURN-RUZDIDTESA-N 447.922 4.746 30 10 IJEE N#CCCN(C(=O)COc1ccc(Br)cc1C(F)(F)F)c1ccccc1 1641169386 BSYMFJNOHQTCJE-UHFFFAOYSA-N 427.220 4.794 30 10 IJEE N#Cc1ccc(OC2CCN(CCOc3cc(F)cc(Br)c3)CC2)c(F)c1 1643006810 AZGPCKLRRJNJRT-UHFFFAOYSA-N 437.284 4.521 30 10 IJEE C#CCN1CCN(C(=O)CCCOc2ccc(C(C)(C)CC)cc2C(C)(C)CC)CC1 1648425046 HYDPBGPFHVEFAQ-UHFFFAOYSA-N 426.645 4.998 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)nc2ccccc2c1=O 1651611588 QWULIPCYFVNOSJ-QGZVFWFLSA-N 435.332 4.896 30 10 IJEE C#CCN(CC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12)C1CCCCC1 1653271979 WRGUYYNITFUSLH-RUZDIDTESA-N 443.591 4.693 30 10 IJEE Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2cc(-c3ccccc3)sc2n1 1655359547 HWCKYFPVHIZBOV-SJLPKXTDSA-N 435.553 4.838 30 10 IJEE C[C@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)Nc1ccccc1F 1658205908 AJEYZNFNNQVFQL-SJORKVTESA-N 430.483 4.752 30 10 IJEE CC[C@@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1ccc(C#N)c(Br)c1 1660471845 CVMUDKBXVVOBRZ-SFHVURJKSA-N 435.387 4.661 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)cc1F)c1ccc(Br)cc1 1666838915 SXYSVFOOGYVUDZ-AWEZNQCLSA-N 426.083 4.847 30 10 IJEE CCN(CC)Cc1cccc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 1670182459 FXTPUVVSRGWJRD-UHFFFAOYSA-N 436.947 4.561 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(CCOC)[C@H](CCC)C1)c1ccc(C(F)(F)F)cc1 1670826902 PREMGKFPTDTKIK-RTWAWAEBSA-N 441.538 4.855 30 10 IJEE C[C@H](N1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1)C(F)(F)F 1671954710 FYWPVGAOEFRUAO-HNNXBMFYSA-N 434.487 4.810 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCCC2)c1ccc(Br)cc1 1674025276 BRPRUULRZFFXSC-ZCNNSNEGSA-N 433.390 4.893 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1 1675730918 UYYQLQVMRLQZAF-BJKOFHAPSA-N 425.548 4.596 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1 1677494163 YNXLRUJEPIQLRX-HRAATJIYSA-N 440.401 4.796 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1681194255 ROBWIVGHPIFEEA-RPWUZVMVSA-N 430.552 4.641 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC(=O)OC1CCCCC1 1681977495 ZRZPYRRKTMGZRH-UHFFFAOYSA-N 441.341 4.552 30 10 IJEE COc1ccc(CCN(CC(C)C)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1OC 1682100381 AFKMFYPWJGFFBK-HSZRJFAPSA-N 435.568 4.863 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Oc2cccc(Br)c2)CC1)c1ccc(F)cc1 1683497338 CNSJNERZPPUKOD-HXUWFJFHSA-N 431.305 4.516 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 1686920400 XCKSLBGIUMCZAT-OFNKIYASSA-N 439.600 4.820 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1689897963 NMNYIOOXBVOFNS-DENIHFKCSA-N 447.410 4.701 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1 1690027890 CFFUMDTUDVGEIM-MRXNPFEDSA-N 442.013 4.557 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCN1CCCC[C@H]1CC 1690088371 JNDXOYMTNXVEBS-NZQKXSOJSA-N 425.596 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H]1CSC 1690250932 NFBXYQSEIJDSNT-ZDXQCDESSA-N 440.657 4.766 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1690281393 PYLRAXKUFMHMES-GOSISDBHSA-N 442.007 4.650 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1ccc(Br)s1 1690289689 KLZQHYNEKZOJIK-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1690312809 CUTOTNNDPZNTMU-UHFFFAOYSA-N 436.604 4.569 30 10 IJEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cnc(C(C)C)nc1 1690337081 CEYMSGAZFTZTGQ-UHFFFAOYSA-N 433.947 4.796 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)c(F)c2)CC1 1690384405 PQGRRLXZXCNOHW-WIYYLYMNSA-N 428.552 4.549 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690419989 HSPZIRLKVKCLNM-HZPDHXFCSA-N 449.441 4.557 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690453866 LVKSRONLTQPMQP-PMACEKPBSA-N 433.604 4.610 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1690465301 XCKOZSHALSHMOJ-VQTJNVASSA-N 433.641 4.963 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1690470657 IAVSTUJTOFTGGC-GOSISDBHSA-N 429.996 4.764 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](SCC)C1 1690503053 NXGHBOGQENKEHO-GOSISDBHSA-N 436.025 4.698 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1690509753 HLYBVPFYHJVLST-UHFFFAOYSA-N 432.996 4.509 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690515048 DCIWPGFURGWLLY-TZIWHRDSSA-N 441.620 4.945 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1Cc1nnc(CC)s1 1690605819 YTMBGXODYQCMGJ-UHFFFAOYSA-N 434.569 4.544 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1 1692842206 BFSBNAFXSLWFHQ-VVZHRXSXSA-N 446.599 4.788 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1705529605 KPCOVAMIIKCGEH-HNNXBMFYSA-N 446.502 4.613 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N(C)Cc1csc(Br)c1 1705536595 JMVGDIDIRVLTCC-UHFFFAOYSA-N 443.414 4.937 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC1 1705668616 QBHLOGLHEVUVNW-ATIYNZHBSA-N 435.616 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1CCNC(=O)OC(C)(C)C 1705711155 BWSMDGUQCYHXDN-HXUWFJFHSA-N 427.593 4.747 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccsc1Br 1705715786 PRTITPSDHDNQAQ-HNNXBMFYSA-N 425.396 4.794 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ccoc2)CC1 1705764996 UZSVIYNAGJKVQT-UHFFFAOYSA-N 429.318 4.514 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCC)c(OC)c2)CC1 1705765271 FMLVTLMWRSAFAQ-UHFFFAOYSA-N 439.947 4.606 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnc(C(C)C)nc1 1705805665 LPBPNTFSFVQXDN-QFIPXVFZSA-N 448.571 4.697 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705815534 ZLUCJYIEMXJTBQ-SFTDATJTSA-N 440.588 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)c1ncc(C)s1 1705838625 VUQFBDHKOPECAU-INIZCTEOSA-N 441.601 4.932 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)c1nccs1)C1CC1 1705848024 KIWJKFOQBYDEGV-QGZVFWFLSA-N 436.585 4.562 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCCCO1 1705879397 XKXBJUPICOYPPW-IBGZPJMESA-N 441.963 4.781 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1c(C)coc1C 1705882657 FJNQLFGLSIWWKQ-UHFFFAOYSA-N 445.361 4.605 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(OCC)CCCC1 1722277023 LAAHIQANZHSVSY-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722309722 CZOJKJNIPXOHLI-NRFANRHFSA-N 446.599 4.923 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCC(F)(F)C1 1722390861 WPBPYHADEXIWLF-SFHVURJKSA-N 441.482 4.532 30 10 IJEE C#CCSCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(Cl)cc1F 1722464297 AXTPTIRPMAWOBX-UHFFFAOYSA-N 444.967 4.844 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@H](c1ccsc1)N(C)C 1722472858 UTENFAYAMZMCSL-RCZVLFRGSA-N 433.625 4.534 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC1(C)C 1722536171 KUTJTJBFUKKKKH-UHFFFAOYSA-N 449.393 4.591 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1722585032 OFXISBQZSDKGLJ-UHFFFAOYSA-N 429.996 4.648 30 10 IJEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCCC1 1722616313 OXQAEURRSWHBKF-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722655360 DAMZUIDIJUAALP-JIPXPUAJSA-N 446.643 4.805 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1Cc1ccnc(OC(F)F)c1 1722658466 WXVDXNFYQMCYJN-UHFFFAOYSA-N 425.483 4.783 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1OCCC1(C)C 1722675968 VPBWRMZJLTXOJZ-QFIPXVFZSA-N 436.625 4.981 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2sc(C)nc2C)cc1 1724450606 HUNSDPGKBCELSJ-HNNXBMFYSA-N 426.615 4.739 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740567898 XGORLZXEWXDHLK-WMTXJRDZSA-N 436.600 4.986 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1C 1740579672 MUBHSCPKEALAEO-UHFFFAOYSA-N 443.020 4.706 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740596740 KXGVGOBUVWKGAW-ACRUOGEOSA-N 441.620 4.780 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CC[C@](C)(CC)O1 1740633287 CFLGZONTWSWFHF-NLFFAJNJSA-N 436.625 4.696 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCCC1(C)C 1740677739 OTRPHUZNOYTEAV-VWLOTQADSA-N 436.531 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCc2nccn2C1 1740767718 YXEKGSXHRKSZDJ-YADHBBJMSA-N 448.615 4.896 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(OC)C2CC2)CC1 1740835389 RJQXELDMGLHODK-QFIPXVFZSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCCN2CCC)CC1 1740841922 GGLVXTSRBVRZME-HSZRJFAPSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1740850885 MOBIYAPNIADXCT-UHFFFAOYSA-N 440.592 4.704 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740861036 ZGSIOBDQMRELIY-IBGZPJMESA-N 438.494 4.858 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N2CCCCC2=O)CC1 1740870319 DTPGWYYMBRWCEG-HSZRJFAPSA-N 435.616 4.768 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](SCC)C1 1740876926 PBGYGLLFXMMADE-GHTZIAJQSA-N 428.602 4.869 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1740879628 PCJDDROPAIOCBY-UHFFFAOYSA-N 449.643 4.791 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC[C@H](OC)C(F)(F)F 1740928902 ZFQWOAXMHURXJW-SFHVURJKSA-N 431.462 4.639 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1Cc1ccc(-c2ccsc2)nc1 1740931489 OPALZHLFISWXMN-UHFFFAOYSA-N 428.565 4.614 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1 1740935008 YVDLVLUJCMGXOI-HSZRJFAPSA-N 433.625 4.785 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)c1ccccc1 1740942674 YZXFIIUZYHIUBA-WOJBJXKFSA-N 448.558 4.628 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](C)CC1 1740953155 XIHLVKJCEDWYCT-HNNXBMFYSA-N 444.004 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@@](C)(CC)O1 1748651033 HRFMHBMMDNQWIN-IQUTYRLHSA-N 437.407 4.575 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1748716239 WIZAWSMXIOUESG-SJORKVTESA-N 434.993 4.616 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1Cc1ccc(CC)s1 1748903413 ZAPNZOMOTAKEOL-UHFFFAOYSA-N 432.593 4.555 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C(C)C)N1CCCC1 1748907979 QAFFODYQWNHGBC-UGKGYDQZSA-N 444.023 4.651 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)NC(C)(C)C 1748912917 LAZDADKNQLZZBR-UHFFFAOYSA-N 444.004 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1ccncc1 1749079108 XSMXUGYMJUYGSN-HHHXNRCGSA-N 443.595 4.784 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N[C@@H](C)CC 1749146932 SFMAMMRACDPMNN-ROUUACIJSA-N 443.661 4.839 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 1749253134 XPVZTOXONXYBGT-NVXWUHKLSA-N 425.360 4.666 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H]1CCCOC1 1749257682 XFJJELIHUUCPMK-HNNXBMFYSA-N 439.785 4.631 30 10 IJEE COCC(C)(C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1749271683 DHYQTOXFFRQYNU-XMMPIXPASA-N 427.568 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1749293338 JMGYFFOIZKWDJD-QHCPKHFHSA-N 438.616 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1749294234 SYIMXTPORAXHNP-LJQANCHMSA-N 440.979 4.826 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cc(C(C)(C)C)no2)CC1 1749312511 LNRDAJYTWGNJHF-UHFFFAOYSA-N 435.572 4.964 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC(F)(F)F)CC1 1749331364 YWOBLJZMTSLUEO-UHFFFAOYSA-N 446.420 4.875 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1749347581 QYTGTHUWFMIIQB-IBGZPJMESA-N 438.494 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C[C@@H](C)CC 1749364523 SYIPNCPWJVVFIE-SFHVURJKSA-N 436.604 4.667 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1749400774 MSCQAVSKTUXDEU-UHFFFAOYSA-N 429.653 4.842 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCC[C@H]1CCCCO1 1749540824 CJSNNAAQHKNJOY-OAQYLSRUSA-N 437.563 4.965 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC(C)C)nc1 1749541494 PGIVPDXHKZPCGU-UHFFFAOYSA-N 446.530 4.835 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCC1(C)C 1749544528 JHKZVTMXDBNCEW-GOSISDBHSA-N 427.618 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)CN1CCCC1 1760098870 ASSBCVPJNVKBFY-LEWJYISDSA-N 444.627 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)C1CCCCC1 1760106609 FGRXWYJUGFVJIY-FQEVSTJZSA-N 430.600 4.606 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccc(OC(C)(C)C)nc1 1760111949 XMWNGXFISZJHTN-KRWDZBQOSA-N 428.540 4.505 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1760134099 ZRQMCQXNHLAOGG-UHFFFAOYSA-N 448.592 4.918 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@H](SC)C1 1760367895 QUJZHOZVVGVEND-AWEZNQCLSA-N 444.830 4.521 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CCC2)CC1 1760399963 ZUEIPGZICPNCQX-UHFFFAOYSA-N 428.602 4.650 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCCn1ccnc1C 1760491757 SNZZYYLTDUSEQJ-UHFFFAOYSA-N 447.406 4.543 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1760567470 CGOJOQFGEPWQOO-YKSBVNFPSA-N 426.630 4.760 30 10 IJEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(COC(C)(C)C)c2)o1 1761750778 FTXGDBBEAWWOJW-XMMPIXPASA-N 437.519 4.652 30 10 IJEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCCC2(F)F)cc1OC 1765967601 AAXHQGMAPXGVEX-AEFFLSMTSA-N 447.530 4.774 30 10 IJEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCCCC1 1770550781 ICWWPVQHUITIEF-HXUWFJFHSA-N 425.602 4.641 30 10 IJEE CCCN(CCC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3ccco3)n2)c1 1772723930 MQSKRVRJPZGLEG-UHFFFAOYSA-N 432.571 4.660 30 10 IJEE Cc1ccc(C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccco3)C2=O)cc1C 1772728142 OSXJGYKSVOEQQO-NRFANRHFSA-N 434.517 4.969 30 10 IJEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccccc3)n2)c1 1857808847 IHWDMWFSZWGFFL-XYGWBWBKSA-N 427.533 4.868 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862385636 UOLRJNLUZMFQSX-MGNBDDOMSA-N 436.291 4.781 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C(=O)O)c1 1862493691 WCOWEWPZTLVDHA-QFIPXVFZSA-N 433.504 4.913 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1CCc1ccc(F)cc1 1862589646 PTDNCACTANWJPR-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1O 1862618913 JCWAYITYUOLASR-QFIPXVFZSA-N 437.536 4.933 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725152 BZACQODZCPGPKW-QMHKHESXSA-N 447.918 4.966 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1Cl 1862760400 NLVSUOCALIEKAR-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)cc2F)=C(c2c[nH]c3ccccc23)C1=O 1863136652 ZDSBQWNFPVKJNX-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(Br)cc2C)=C(c2ccccc2F)C1=O 1863303380 IXLHWOZEWSBLHN-UHFFFAOYSA-N 429.289 4.583 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1863315069 BINNQUIDWINBDE-OAHLLOKOSA-N 429.426 4.790 30 10 IJEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCN(CC)CC)C1=O 1863817159 BRQICBURJKRKHD-UHFFFAOYSA-N 438.616 4.540 30 10 IJEE CSCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866999477 GMTANUHOYSRCBR-LEWJYISDSA-N 441.984 4.582 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)CCCOc1ccccc1Cl 1870144503 BKDDTDCZYGTIOK-UHFFFAOYSA-N 449.820 4.609 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870162473 UXTWSDRZKMUMMW-LSDHHAIUSA-N 431.805 4.553 30 10 IJEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(Br)cc2C)cc1=O 1870810515 GVJYQUZEUUEBEU-UHFFFAOYSA-N 440.341 4.539 30 10 IJEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870833744 QRWANTODHTWZCJ-OAQYLSRUSA-N 438.572 4.865 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1cccc(C)c1 1870971947 CKXZKGGCOQSYMW-UHFFFAOYSA-N 427.589 4.644 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCc4nc(O)c5ccccc5n4)c3C)C2=O)c1 1871430186 CGLFDIJQOPNQSV-XKZIYDEJSA-N 440.455 4.848 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871432332 FASYVPLQZSSLFY-FMCGGJTJSA-N 431.444 4.733 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C)S(=O)(=O)c1ccccc1 1871780995 WIKXDDKSLYQXBS-LJQANCHMSA-N 441.380 4.833 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871852847 OAMQUIZIWRIMQM-QFIPXVFZSA-N 446.588 4.981 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871909418 AGDSKWKXWGVMBT-FDDCHVKYSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)CC)S(=O)(=O)CC 1872124504 AKZRDTHFNLUUHR-BLLLJJGKSA-N 440.915 4.550 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330424 GPQGSXUSPKITFK-UHFFFAOYSA-N 429.564 4.980 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)cc1 1874350328 GMDYQFOHIWCMMP-CVKSISIWSA-N 433.512 4.586 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)c1 1874420672 XXKXDFOWEPUCEA-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1cc(Br)cc(OC)c1O 1874476127 HALCEARVQIVDCU-KEBDBYFISA-N 439.379 4.648 30 10 IJEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2)cc(OC)c1OC 1874489756 JENLGLQBKDEOFH-ZVHZXABRSA-N 440.569 4.677 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(CC)cc1 1874504678 ZKNCMFOUUSFEOS-ZVHZXABRSA-N 425.533 4.545 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OCC(=O)Nc3ccccc3)c(OC)c2)c1 1874605165 ILKQRQOMZGZBAY-OUKQBFOZSA-N 447.487 4.626 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)[C@H]1CCCO1 1875097191 YUAUAKHGXDWYQP-RUCTVCJSSA-N 436.504 4.563 30 10 IJEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCCCN(C)C)ncnc21 1875228879 JIFXMAWZSFKJSS-UHFFFAOYSA-N 442.652 4.804 30 10 IJEE C#Cc1cc(C=O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887514493 ICDSGUHVSNEQTL-UHFFFAOYSA-N 436.511 4.552 30 10 IJEE O=C(NCC#CCN1CCCCCC1)C1(c2cccc(Br)c2)CCCCC1 1890228967 KRXJDORBOLWQOQ-UHFFFAOYSA-N 431.418 4.647 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC 1922056859 GHHZRJDDGGXSAE-UMFSSWHCSA-N 446.632 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)C[C@@H](C(C)C)N(Cc2ccccc2)C1 1922074997 SFONGMGVSSQIEK-HZFUHODCSA-N 436.640 4.789 30 10 IJEE C=C(COCc1ccccc1)[C@H](CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922100833 ADFNTNBMCMWYNC-PKTZIBPZSA-N 432.605 4.544 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1949108842 GVUQBTOSHJCLGH-KFCXZAFISA-N 431.508 4.859 30 10 IJEE C#Cc1cccc(C[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951712293 AEVCRAQSEYFURM-MHZLTWQESA-N 425.484 4.592 30 10 IJEE C#Cc1ccccc1C1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 1952743642 OGBDHFXRPJWKRZ-UHFFFAOYSA-N 437.495 4.907 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C2=CCC(F)(F)CC2)CCN(Cc2ccccc2)CC1 1999907991 OLGAJAWOJLMFGQ-UHFFFAOYSA-N 434.527 4.861 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H]2CCCC[C@@H]21 2009371092 OFUIEIQCJDVJCX-SIFCLUCFSA-N 447.498 4.858 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1C#N 2010546107 DLXSJDSHOAJKJM-MGPUTAFESA-N 443.931 4.649 30 10 IJEE N#Cc1ccc(N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)cc1Br 2044065332 BNEMOEKKIRFFMW-MAODMQOUSA-N 440.341 4.922 30 10 IJEE Fc1ccc(C(F)(F)F)c(Cn2ncc(I)c2C(F)(F)F)c1 2079124675 LMHOCJMKIXTXMI-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE CN(C)Cc1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079174282 HFZAGCKINAGRDY-UHFFFAOYSA-N 434.153 4.873 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCCC 2110499880 DRJMGXGMKMQHNJ-DLBZAZTESA-N 443.813 4.930 30 10 IJEE N#Cc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(F)c1Br 2148945237 FBHTXLHIAKWEAO-IEBWSBKVSA-N 428.349 4.808 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)c1scc(Cl)c1Cl 2152513474 MJUFAKSXHUXDSW-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@@H](C(C)(C)C)C1 2174770429 WEMKOWSPMMWXSM-OAHLLOKOSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(C#N)cc1Br)CC2 2174808975 UPXARRWCNUQTPJ-UHFFFAOYSA-N 434.378 4.938 30 10 IJEE CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1C#N 2181146724 OLWKSPTUOLCXIX-INIZCTEOSA-N 438.366 4.979 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)cc2F)NCC)C1 2183009275 VXGLRMMWZNWJML-GOSISDBHSA-N 441.385 4.970 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C)(C(=O)Nc2ccc(Br)c(C#N)c2)CC1(C)C 2199598246 MZCRFQZVUNMLLQ-FQEVSTJZSA-N 436.350 4.685 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CC=CCN1C(=O)OC(C)(C)C 2235716983 AGICXFXEHLEVLW-WOJBJXKFSA-N 433.390 4.734 30 10 IJEE C#CC[C@H](CC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237431057 PAXLQVDNIIYEKB-APWZRJJASA-N 434.374 4.894 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2262206188 NQAOGNVACBIUII-RBBKRZOGSA-N 447.572 4.655 30 10 IJEE CC1(C)OB(c2ccnc(Oc3cc(Cl)ccc3Br)c2F)OC1(C)C 2265852169 PGROORZKLIJLJU-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)cc2)CC1 2267564703 VELGHQPUIHESTI-ROUUACIJSA-N 442.365 4.621 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC(F)(F)F)c1 2273000365 DBQBRMHRKKFUJP-ZIAGYGMSSA-N 439.272 4.688 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1csc(I)c1 2278727963 NTNWBDKTCLLTPX-AWEZNQCLSA-N 446.151 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(c3c(Br)cccc3C#N)C2)C1 2285188848 XLWCARFVOJOTOC-NRFANRHFSA-N 434.378 4.938 30 10 IJEE C=CC[C@]1(COc2nc(C)c(Br)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2287851542 BAZOFLLYBYFGDN-FQEVSTJZSA-N 440.382 4.707 30 10 IJEE CC[C@@](NC(=O)OC(C)(C)C)([C@H](C#Cc1cccc(Br)c1)NC)C(F)(F)F 2296219519 PEFPKJVVHNKFHI-MAUKXSAKSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@H](N)C#Cc1cccc(Br)c1 2296220171 VNPAMXJEMLNHMV-DFQSSKMNSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296222003 OGVVSPLUSSOSBR-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296278949 JWMICAPUYOOPTD-FFGOWVMKSA-N 433.390 4.696 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CCCC1CN(C(=O)OC(C)(C)C)C1 2296284682 TVSJBKDKVNYWRD-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE O=C1C(=Cc2c(F)cccc2Cl)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 2296871346 ORVGFXDUNFFMCT-UHFFFAOYSA-N 430.840 4.863 30 10 IJEE COc1cc(C)c(C=CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(C)c1C 2297474125 OXULUIQMTVJPRG-OAQYLSRUSA-N 437.536 4.559 30 10 IJEE CC(C)c1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCCn2ccnc2)cc1 2297747586 IVRSOXGCZOXFSY-OAQYLSRUSA-N 435.549 4.580 30 10 IJEE CCN[C@H](C#CC1(SC)CCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299660726 PMJWUVXNWRATOD-FGZHOGPDSA-N 446.657 4.754 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)c1OC 2322274156 WYOKNLUFXKXUKF-UHFFFAOYSA-N 448.548 4.631 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1cccc(C)c1 2323098026 XMZYVYFQYQPEIP-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c(C)c1 2323181881 NDVBBEDPJBYPBP-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE COc1c(Br)cc(Br)cc1C=NNc1nc2ccc(C)cc2[nH]1 2323201821 VNTUCJSCMWCDKZ-UHFFFAOYSA-N 438.123 4.851 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)cc(Cl)c1OCCO 2323656251 QAHWUQUGQGGHDB-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324140869 CLLFPSIEFAJGCK-LJQANCHMSA-N 446.547 4.545 30 10 IJEE CCCCOc1c(OC)cc(C=Nn2cnnc2SCc2ccccc2)cc1[N+](=O)[O-] 2326204268 IEBGKCWUXXFTQH-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)cc1 2328577309 PKFVWXGCJGABEE-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE CCCOc1c(C=Nn2c(CCCOc3ccccc3)nnc2SC)cccc1OC 2328710032 UVRGBQUUOZNHQN-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(O)c(O)c2)c1 2329817054 OBHLEFOULWWPNY-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N=Cc2ccco2)cc1 2329949843 WRMJSWSARTYPLM-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2[C@H](C)c2ccccc2)c1 2330133450 IJXRNVFWZYDGEP-LJQANCHMSA-N 436.581 4.912 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330210341 QJSWAEBTPXEOKX-UHFFFAOYSA-N 449.363 4.517 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1O 2331142309 OCOVGTBTMURUNE-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE CCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccccc2Cl)cc1 2331282463 YMNDQUQITTVWOX-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(CC)cc1 2331636614 ZKNCMFOUUSFEOS-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1 2331636869 RXFLYLNSUKZFMJ-UHFFFAOYSA-N 427.961 4.805 30 10 IJEE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582176 PIVLSTVLDVCCNZ-SERSOLAASA-N 433.405 4.685 30 10 IJEE CC(C)(C)OC(=O)NCCC1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339601301 XJTRBTWVMBWXIC-GXDHUFHOSA-N 444.381 4.800 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1)c1ccccc1 2342480248 BEZZYLBURSSVSH-XMMPIXPASA-N 444.381 4.513 30 10 IJEE Cc1cc(CN(C)C[C@@H]2CCCN(Cc3ccccc3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369731082 IOJCJHUIUCCNLY-DEOSSOPVSA-N 448.460 4.638 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c1 34955420 LGCZPZCTEWKRKO-KPKJPENVSA-N 448.471 4.836 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 36146557 CMAYANNPZMFRJI-VXKWHMMOSA-N 449.378 4.552 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1nc2ccccc2n1Cc1ccc(C#N)cc1 95085751 MLGFQDRONBGHQW-HXUWFJFHSA-N 431.540 4.768 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@@H]2c1cccnc1 96319746 YYNSWSDTSIAXTD-HXUWFJFHSA-N 435.528 4.763 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 103107887 JRZJLIIWTKBYAX-QQYUXEJHSA-N 434.580 4.882 30 10 IJEE Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C#N)c1ccc(F)cc1F 111030262 KSGPJHDFRLUNEY-KRWDZBQOSA-N 429.423 4.721 30 10 IJEE CCCCCCOc1ccccc1C(=O)/C=N\n1c(S)nnc1COc1ccccc1 169914277 OLXLGFVQCPJQNK-JLPGSUDCSA-N 438.553 4.822 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(F)cc1 169940858 WYCHSNIRIOIYKC-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)c1OC 169951452 FTOZDUMEQAJRCA-FQEVSTJZSA-N 441.911 4.878 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccs2)s1 169989700 RCRUPBOQSQIHBN-GOSISDBHSA-N 442.537 4.782 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)cc1 169991932 FLOKJXJXMKDRGO-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 170132358 RSOAKMSEXSOKKM-JOCHJYFZSA-N 427.412 4.627 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)cc1Cl 170183123 JLYSKESPXGQLSI-LJQANCHMSA-N 440.908 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1)c1ccc2c(c1)CCCO2 170203874 MVXYWTHFLKVRRY-QFIPXVFZSA-N 446.890 4.843 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)cc1C 170225084 HLCOMGITGASEDB-XMMPIXPASA-N 441.483 4.858 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1 170231100 UEGSDZZYBXWALJ-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)c(OC)c1 170256391 WCYXNPXKCJSKKJ-HSZRJFAPSA-N 446.503 4.706 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)cc1OC 170259813 NEBHJAASFLQSMZ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170265233 BWNJSJSCXSNCSP-QHCPKHFHSA-N 437.536 4.569 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)cc1 170266219 KUKVIWGLCPLXOF-QHCPKHFHSA-N 431.488 4.938 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)cc1 170296131 BSDZSUPVTHSKTP-QFIPXVFZSA-N 435.451 4.986 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299818 DKAZYKCQQGOWTQ-JLCFBVMHSA-N 433.435 4.833 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C/c3ccc(OC)c(OCC)c3)C(=O)N2C)cc1 252588972 AGIXRDBRTPCZLU-ZOAXWHFDSA-N 440.521 4.504 30 10 IJEE CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc(Br)c1O 252635922 XBXLMFFUVKCVPS-SKCGTWTRSA-N 433.327 4.787 30 10 IJEE N#Cc1cc(Nc2cc(I)ccc2Br)ccc1[N+](=O)[O-] 312708646 DVWXMLQIZKSQFT-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H]1c1cccc(F)c1 460961182 SBPJXKWJWOGZGA-IERDGZPVSA-N 439.560 4.572 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 476633173 LYQCHFOSJPYGCV-ROUUACIJSA-N 444.560 4.959 30 10 IJEE C=CCn1c(CCC(C)C)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508998070 BZMYPTGZALCAMS-OAQYLSRUSA-N 427.980 4.658 30 10 IJEE Oc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1Br 526817453 VOFCKCQFNKHSFL-YXSASFKJSA-N 441.713 4.713 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1nccc(OCc2ccccc2)n1 534797549 LBHJMLWQUUKGKQ-UHFFFAOYSA-N 449.511 4.702 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 548839510 DUNRLHCCWDLSCC-VXNXHJTFSA-N 430.552 4.596 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 549634553 PVDUZUZFHJOPIA-NRFANRHFSA-N 430.980 4.729 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 559008200 RHGOJXVQBQBGQO-UHFFFAOYSA-N 427.552 4.673 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C2CCOCC2)CC1 574102305 MGZQFYVESDVMGV-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CC[C@H](OC(F)F)C1 582933273 KGUZGVMYKURBGH-HNNXBMFYSA-N 437.450 4.757 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1cc(I)cc(C(F)(F)F)c1 609060173 VGUHHLBNQSKYJJ-UHFFFAOYSA-N 437.121 4.501 30 10 IJEE C=C(COCCC)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705410249 RJKYVVVZLMMFTA-PMVMPFDFSA-N 434.621 4.836 30 10 IJEE N#Cc1ccc(COC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 730696664 HEDFJNGPTHRQJD-UHFFFAOYSA-N 444.871 4.509 30 10 IJEE C[C@@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl)c1cccs1 762441920 WGMXADIWQBFWPJ-CYBMUJFWSA-O 442.973 4.828 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)n1 789041377 OWQCRYQPZLIMJH-NRFANRHFSA-N 430.980 4.505 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCc2c(cccc2C(C)C)C1 809889737 KRHMRQVGNSCZTM-UHFFFAOYSA-N 445.567 4.577 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)c1 1083941264 BYBBKRLUEGABDK-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE COc1ccc(C=NNc2nc(SCc3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC 1084253223 UBLYBMBHPDFPCO-UHFFFAOYSA-N 425.558 4.858 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OC)c(I)c1 1124398443 KOHLALIPCYGMQL-UHFFFAOYSA-N 447.725 4.843 30 10 IJEE C[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1128427925 VXPKWYACMLOMEW-YOEHRIQHSA-N 438.366 4.604 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N1CC2(CCCC2)c2cc(Br)ccc21 1137422489 DOEOOGJYYALZLT-UHFFFAOYSA-N 441.325 4.567 30 10 IJEE CCC(C)(C)[C@H]1CCc2nc(NC(=O)CCc3c(C)nn(CCC#N)c3C)sc2C1 1140339739 HMEVBKZOQONNSG-KRWDZBQOSA-N 427.618 4.983 30 10 IJEE C=CCN(CC(=O)NCc1ccc(Cl)cc1)Cc1cc(Br)ccc1F 1167291762 XHPJEJGSWDIJQR-UHFFFAOYSA-N 425.729 4.546 30 10 IJEE Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)n2c(nc3ccccc32)c1C#N 1186130574 CYGDBILAJZIGCN-OAQYLSRUSA-N 433.556 4.749 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 1198966032 PJSPSAZTORFKHT-GOSISDBHSA-N 434.323 4.875 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(F)c(-n2nnnc2C)c1)c1ccc(C(F)(F)F)cc1 1199697106 ZRQPSFYASZSFTQ-GOSISDBHSA-N 448.424 4.958 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 1214911872 IPRMLNBSUDGKTN-OAQYLSRUSA-N 442.563 4.970 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3cccnc3Oc3cccc(OC)c3)cc21 1220204493 OYBNYZFSOXNQMD-UHFFFAOYSA-N 429.480 4.740 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1273707348 SUJYNZLEUCVVFT-MZNJEOGPSA-N 442.535 4.534 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1)C(C)(C)C 1275497455 CYUPYRAVRNGGTK-GIFXNVAJSA-N 432.564 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CC[C@@H](OC)C(F)(F)F 1286519395 WTTYOWXAWQLFEM-WOIUINJBSA-N 434.506 4.780 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1ccco1 1286565997 FSZNPFMVYXCLSK-GAJHUEQPSA-N 444.963 4.975 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CC1CCN(c2ccncc2)CC1 1286581969 XZMKSTOMCHXUAS-UHFFFAOYSA-N 444.627 4.891 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1286621335 CADFSRWZDFUPLP-AEFFLSMTSA-N 434.943 4.563 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCN(C(C)C)C(C)C)CC1 1286661775 LMXIVDQCRPNPJN-UHFFFAOYSA-N 447.631 4.652 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1286680683 ZKUCZZFXDBPMSE-BJKOFHAPSA-N 438.616 4.869 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1286690188 MXTNATRISZIZPT-WIYYLYMNSA-N 439.560 4.640 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1Cc1sc(C)nc1C)C1CC1 1286739334 YPJKJJFDSLTAIJ-UHFFFAOYSA-N 441.626 4.855 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1 1286741625 AWMATHKDVNITAF-FQEVSTJZSA-N 448.615 4.504 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1c(CC)noc1C 1286755726 JZIXCANWHYAXKF-UHFFFAOYSA-N 427.936 4.693 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(C2CC2)CC1 1286766721 WEHDQTJKFHPECW-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(CN2CCCCCC2)CC1 1286826419 HGUIWKXUGBTTLF-UHFFFAOYSA-N 443.661 4.858 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCc1cccs1 1286960373 DZDSINPGZFPUKC-CQSZACIVSA-N 430.375 4.608 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](c1ccc(C)cc1)c1cccnc1 1293101486 LRYOEOGUVSPXRL-PKTZIBPZSA-N 435.568 4.635 30 10 IJEE C#CC[C@]1(C(=O)N2CCC3(CCc4ccccc4C3)CC2)CCCN1C(=O)OC(C)(C)C 1300264433 IEASPUPRSSHEGH-HHHXNRCGSA-N 436.596 4.577 30 10 IJEE C#CCCCn1c(N(CC=C)Cc2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300424311 DIDQRMZNPJALIY-SZPZYZBQSA-N 449.599 4.655 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSC(CC)(CC)C1 1300927472 GKUDEOFKWIUUGS-UHFFFAOYSA-N 448.036 4.550 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC[C@@H]1C 1301023291 DEPPHOPKIXKUHY-ZDUSSCGKSA-N 427.799 4.710 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cc(C)ccc2OC)CC1 1301129150 KJHLLFGLYMVSKP-UHFFFAOYSA-N 437.613 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301144005 SLIOOWVPPNREKF-NVXWUHKLSA-N 436.959 4.580 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1301173549 HVROYRFIQXOXHE-FPOVZHCZSA-N 442.007 4.987 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1301186895 LHXXATKJUMYXMO-KNQAVFIVSA-N 440.588 4.887 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccco1 1301208990 IJWMDUHGXYCEAI-UHFFFAOYSA-N 431.334 4.912 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1301245170 FHLOVWSKWFJRCQ-OAQYLSRUSA-N 439.585 4.653 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)CN1CCCCC1 1301278222 HXJBPBIQYICOAU-RTBURBONSA-N 427.662 4.876 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1sc(C)nc1C)C1CC1 1301315936 FKGGZVBLYLGOAF-UHFFFAOYSA-N 431.512 4.823 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC2(CCCC2)C1)C(C)C 1301366647 GRHNGSYQBKUHMD-DHIUTWEWSA-N 441.664 4.641 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CCCCC2)CC1 1301468577 BZXRPJAUMBLUPC-UHFFFAOYSA-N 437.632 4.795 30 10 IJEE CCCc1nc(C)c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)o1 1306607272 DTHIAYMSMJEOAT-DOTOQJQBSA-N 440.523 4.593 30 10 IJEE N#Cc1cccc(Br)c1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1306967300 HIEOWNSHQKGKLI-ZDUSSCGKSA-N 426.236 4.910 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(OC)c(Cl)c1)C(=O)OC 1307242592 LLNGYISWZPNJFU-SFHVURJKSA-N 429.929 4.806 30 10 IJEE C=CCN(Cc1ccccc1Oc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1308611488 OVCCQPHGSGVELJ-GOSISDBHSA-N 426.365 4.961 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1312852767 GCWIBSJTPKZNEC-BVAGGSTKSA-N 439.559 4.870 30 10 IJEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCCCC2)C1)C(C)C 1315197226 HSGMBSVRNUAERH-OAQYLSRUSA-N 439.629 4.744 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2ccccc2)C1 1344719227 XDNNLMSGFKXFHF-FQEVSTJZSA-N 438.959 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)c(OC)c1 1358878128 RMIWNQFHMHOYPL-AWEZNQCLSA-N 445.386 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(-c2ccsc2)nc1 1358879954 BJRUWLQRUFOEDX-KRWDZBQOSA-N 429.549 4.583 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1358905699 ITQWTWRJOXVFRV-LPHOPBHVSA-N 430.394 4.998 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1358907274 JPWGKXMKMKIJPI-UHFFFAOYSA-N 438.959 4.791 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359007000 QPGIISVLIAEDFU-SFTDATJTSA-N 446.643 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCC[C@@H]1CC 1359074093 QHNNIFBHGBYHQD-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCC1(C)C 1359108863 GKQKATFRNMAWCN-IBGZPJMESA-N 430.618 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCC(C)CC2)cc1 1359110314 ITBMQSBLTYAZCZ-UHFFFAOYSA-N 432.616 4.971 30 10 IJEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1359123678 GYCFPNWCHHTPKA-UHFFFAOYSA-N 430.556 4.824 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1359124192 OFNJRYSTLFIARZ-QFIPXVFZSA-N 426.605 4.982 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1359162050 BETMXNCIINYBHF-UTKZUKDTSA-N 428.964 4.745 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCSCc2ccccc2F)CC1 1359176617 HMOOPYWQSWGFBK-UHFFFAOYSA-N 425.577 4.759 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359197484 QIOGESNCYCYXKS-OXQOHEQNSA-N 442.435 4.573 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359198242 LVPVGKYAJIOOER-QGZVFWFLSA-N 436.398 4.643 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@H]1C 1359223422 KQXPVVWJTBPXKE-NVXWUHKLSA-N 433.394 4.843 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1359227506 CPUZFXGTYGSKKE-WIYYLYMNSA-N 430.568 4.565 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(OCCC)nc1 1359236414 KPLHOOVJJDDSOT-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1359258762 AYLXYUCEMWHCOY-NHCUHLMSSA-N 431.584 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS1 1359264930 STTXVHAHMAQURG-SFHVURJKSA-N 431.656 4.784 30 10 IJEE CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC1CCCCC1)C(C)C 1359986257 FNVSEMMPFXBIIK-UHFFFAOYSA-N 436.604 4.527 30 10 IJEE Cc1ccc(Cn2c(C3CCCC3)nnc2N2CCC(C#N)CC2)c(OCC(F)(F)F)c1 1361280526 HVCJKVNYZMNJJD-UHFFFAOYSA-N 447.505 4.974 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)C(F)(F)F)cc1 1436239318 NNHPRMNVBQUGPS-HXUWFJFHSA-N 445.418 4.909 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)cc1 1455980078 FTRIFXQARJTWJG-UHFFFAOYSA-N 430.529 4.657 30 10 IJEE CCc1nc(C(=O)N[C@H](CCC#N)c2ccccc2)nn1-c1c(Cl)cccc1Cl 1458142410 CCTINNTUNZKBNZ-QGZVFWFLSA-N 428.323 4.911 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21 1459981420 VEHCXLJSHGDHBQ-CEWLAPEOSA-N 428.374 4.717 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2C)cc1C#N 1462992161 UTWAUQWCQGRBBW-UHFFFAOYSA-N 446.248 4.723 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2F)C2CCCC2)ccc1Br 1463283528 HXLUQZWWBQQQDS-LJQANCHMSA-N 437.334 4.670 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2ccc(/C=C/c3ccc(OC)cc3)cc2)c1 1463788542 AXGUVSYXAGHUNZ-BQYQJAHWSA-N 449.528 4.549 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(-c3ccc(Br)cc3)c(C)c2)C1 1466269269 NEWCIQWSUIMIFW-FQEVSTJZSA-N 426.358 4.644 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)Nc3cc(C#N)c(F)cc3F)C2)C1 1467184891 FQJAPAQLDXPGFC-HZPDHXFCSA-N 448.514 4.727 30 10 IJEE C#C[C@@H](NC(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)c1ccc(Cl)cc1F 1467935313 PHBVAZRJADFRAP-XHDPSFHLSA-N 437.924 4.626 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1468760377 RRASKVYCPNBKCU-YADHBBJMSA-N 429.605 4.947 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N3CC=C(c4ccc(Cl)cc4)CC3)CC2)c1 1470671455 GOQYSDUNKFZHGH-UHFFFAOYSA-N 434.971 4.675 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)c1ccccc1 1472274876 CZTRNDGWDGWBCI-WENCNXQZSA-N 428.554 4.801 30 10 IJEE Cc1c(C#N)c(NC(=O)CSc2nc3ncc(Cl)cc3o2)n(-c2ccccc2)c1C 1473091809 AOIQRQCEFHWLTB-UHFFFAOYSA-N 437.912 4.886 30 10 IJEE CC[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)Oc1cccc(Cl)c1 1476401050 GUXJSKINHRJZTB-OAHLLOKOSA-N 427.867 4.516 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1478672358 YIEQUMCGGXYZGG-JOCHJYFZSA-N 439.600 4.627 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CC)Cc1cn(C)c2ccccc12)c1ccc(Br)cc1 1478895850 GYPXRQBLTKXIPE-TZIWHRDSSA-N 438.369 4.936 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC(F)(F)F 1495651413 FXXXIZFGUUKPEB-SFHVURJKSA-N 448.537 4.718 30 10 IJEE CCN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1 1502178468 FVUWGSOOORYLDM-LJQANCHMSA-N 429.515 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCOC[C@H]1C 1507519756 KBJDCXRQAAIIKT-PMPSAXMXSA-N 428.989 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1507522109 AXCADOZQQNSAPA-OXJNMPFZSA-N 444.526 4.636 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCCSC 1507789179 WCIYPJRWJQAQLX-UHFFFAOYSA-N 429.815 4.620 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@H](C)C1 1507794304 HJWFHTYEESPPFH-LEDOBFOHSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1 1507794363 FJVTZBRPFCEZPZ-IRLDBZIGSA-N 438.616 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(COCC)n1C[C@@H](F)c1ccc(Br)cc1 1507822884 AHKKBGUYKGPSID-QGZVFWFLSA-N 425.346 4.690 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCn2ccnc21 1507822921 BCISIFFIAOXXPN-OAQYLSRUSA-N 434.588 4.596 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cc(Cl)ccn1 1507840663 NUPSYLYFMGYJDR-UHFFFAOYSA-N 448.958 4.771 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(COC)CCC2)CC1 1507876707 RDIKKIPXYCYZKR-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[S@@](=O)C(C)(C)C)C1CC1 1507987782 CGFFHXHEDDSZAH-BEIWTESXSA-N 446.686 4.833 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1508006901 XQWMRXBDYOCHBH-UHFFFAOYSA-N 433.585 4.797 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCS[C@H](C)[C@@H]1C 1508108890 NBCZAGDVQBHPJI-ZWKOTPCHSA-N 440.638 4.874 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1508163909 GWQGUDXLKDWYKO-UHFFFAOYSA-N 442.629 4.510 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@@H](C)C2)cc1 1516302216 HFMFWMDXXRVJPF-PLOUGOBLSA-N 441.551 4.695 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCC)c2cccc3ccccc23)ccc1F 1519064723 ZKFALJPMQRRJSL-UHFFFAOYSA-N 426.513 4.500 30 10 IJEE C=CCN(C(=O)/C(C)=C\c1ccc(Br)o1)[C@H](Cc1ccccc1)C(=O)OCC 1522164581 BXGLHOWCNDPRHN-WLGQOEQESA-N 446.341 4.634 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1OC 1523876675 AQDXYSSBDJNULT-DKOVKCOZSA-N 434.580 4.690 30 10 IJEE CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1525343697 FIVHKFOEJIODEF-GOSISDBHSA-N 439.487 4.573 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(c2ccc(C)cc2Br)CCCCC1 1531579435 IQBUOZRASUNSNV-UHFFFAOYSA-N 448.401 4.763 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)C(C)(C)C 1535510646 YFNNUIZCTJGMDX-OAQYLSRUSA-N 448.592 4.508 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(CCOCC)CCCC1 1539014383 TWWGVFSWKVCODQ-IBGZPJMESA-N 429.008 4.967 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H](F)c1ccc(Br)cc1 1539024511 VQUDHKLRRAVQET-BEFAXECRSA-N 433.369 4.942 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1539052608 QLHWJPHPXVKLAG-VQTJNVASSA-N 443.389 4.659 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)C1CCCCC1 1539250397 MXVYYFJTBQHGLX-HSZRJFAPSA-N 445.394 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1539338058 UNOACWRXKGVNST-SFTDATJTSA-N 436.625 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(CC)CC1CCC1 1539639550 ABQKYJKFNAGLOE-CVDCTZTESA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1539677451 CMTGMJQUBXHXCC-XMSQKQJNSA-N 430.980 4.894 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC(N(CC)CC)CC1 1539743431 GSQQIWRIZINSFK-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)cc1 1539748905 ONGJZQKXWHBJQE-UHFFFAOYSA-N 432.545 4.916 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCCOCc2ccc(OC)cc2)CC1 1539878034 PLZOHJXYFZKXCB-UHFFFAOYSA-N 436.556 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1539921325 VZNPEWQGUZOZEK-FQEVSTJZSA-N 436.579 4.728 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1539946450 BLDPBNBVVQKVEZ-MPCCHNLFSA-N 438.616 4.772 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1539981135 FALCOCKIHUQUEL-MOPGFXCFSA-N 449.368 4.961 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCSC1 1540191630 NXAKKPFVZALCFC-IRXDYDNUSA-N 432.659 4.523 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 1540431536 JOITXXQSKPZCSC-UHFFFAOYSA-N 433.485 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC(F)(F)F)C1 1540883875 GFPMVRWYKPCALO-JKSUJKDBSA-N 442.457 4.681 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3cnc(-c4cccc(Cl)c4)s3)c2C#N)C1 1540917600 AFJRPGFQGWPXMK-UHFFFAOYSA-N 442.953 4.554 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1540920218 RFWMWRQEVTYFHS-KDURUIRLSA-N 432.659 4.723 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCCc1nc2c(s1)CCCC2 1541118659 FGEOFMVBXXMYEL-LJQANCHMSA-N 448.640 4.627 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1Cl 1542828024 AVAHEZWGILZRJX-UHFFFAOYSA-N 432.749 4.635 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 1543566099 YQOGJPSPCXREFM-NHCUHLMSSA-N 443.975 4.826 30 10 IJEE C=CCN(C(=O)c1cc(Oc2ccccc2)ccc1O)[C@H](Cc1ccccc1)C(=O)OCC 1556205194 SVLVIRHWZUNHND-XMMPIXPASA-N 445.515 4.987 30 10 IJEE C=C(C)[C@H](Nc1nc(SC)ncc1I)c1ccc(F)c(F)c1 1559169291 KYEDEVAACOCEQH-ZDUSSCGKSA-N 433.265 4.811 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(C)c(Br)c3)nnc12 1559314235 XWBLTBKUULHOEO-UHFFFAOYSA-N 441.354 4.593 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 1559856537 AKKBVVKZKLUODP-HSZRJFAPSA-N 432.612 4.571 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(CCN(Cc3ccccc3)CC2)C1 1559869710 BSTZCBUJKYSCPY-JOCHJYFZSA-N 437.653 4.639 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1C(F)(F)F 1561110151 HISMAVZECTXZFS-SFHVURJKSA-N 440.443 4.846 30 10 IJEE CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)S(=O)(=O)c1cccc(C#N)c1 1561870063 FQARLWYGUFNUJW-UHFFFAOYSA-N 430.888 4.964 30 10 IJEE C#CCCCCNC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1564344006 YNBKQEJUAGCNFC-UHFFFAOYSA-N 432.421 4.762 30 10 IJEE C[C@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1cc(Cl)ccc1OC(F)F 1564491494 GMWCGJVVNVUKCZ-AWEZNQCLSA-N 448.901 4.842 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1568505481 UMPOJWKNWMZFHS-GDBMZVCRSA-N 442.478 4.788 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-c3ccccc3O)[nH]n2)cc1 1584300422 DWKHYIDOCUKZFH-UHFFFAOYSA-N 426.432 4.707 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1C)c1ccc(Cl)cc1F 1584727667 UZHZLXRBHMCQIN-IBGZPJMESA-N 446.707 4.840 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2CC(C)(C)C2)c1 1585287368 VFSWIFOSJDSRLJ-UHFFFAOYSA-N 432.973 4.640 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)C[C@H]2CC)c1 1587142075 SLGPBSAGADZKFU-FXAWDEMLSA-N 447.000 4.982 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1587793476 NZFXZCWSEGXJMZ-YLJYHZDGSA-N 433.021 4.889 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC=C(C(C)(C)C)CC1 1587817701 DGFKGWZIPCTWCZ-UHFFFAOYSA-N 438.572 4.567 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)(C)C 1588082884 BDEUOHCBTYSNIP-LJQANCHMSA-N 442.991 4.576 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](SC)C(C)(C)C 1588166445 GTIJJXVJGVOHHE-HXUWFJFHSA-N 426.655 4.729 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C2CC2)C1 1589116714 LLIOUIUXDNJEPW-FQEVSTJZSA-N 438.641 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1589669280 OUQXJBXUTYKBBU-VWLOTQADSA-N 444.627 4.812 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)c1ccccc1 1593775968 FMLCUCAGHBBLMW-JOCHJYFZSA-N 444.583 4.673 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NCCCCC)CC1 1593852048 KACNAZFUEHOMAL-UHFFFAOYSA-N 429.996 4.529 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCN(C)C(C)C)CC1 1594208032 AEKYTXYJOFHNKG-SFHVURJKSA-N 427.662 4.874 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccccc2C(C)C)CC1 1594247552 LVHGPVJTDCQXPR-UHFFFAOYSA-N 431.584 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1594448627 JZFPNKLMXMEZOC-UHFFFAOYSA-N 435.563 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](COCC)C1 1594461955 ZUVZWQVYGDAQFB-GOSISDBHSA-N 427.549 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1594511963 YQDRBVKAWFYZGK-UHFFFAOYSA-N 437.613 4.529 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1594635590 WTCAOPFBVLBRCT-OAQYLSRUSA-N 444.023 4.620 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1c(F)cccc1SC 1595161846 NMMUVTOVEAQPRL-INIZCTEOSA-N 444.601 4.945 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1C(C)(C)C)C(C)C 1595170455 COIXNKIQKKYIPO-IBGZPJMESA-N 439.570 4.973 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)N(C)C 1595190954 KYBTXCIBAPGNKU-KRWDZBQOSA-N 425.577 4.941 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)c1cccc(C2CC2)c1 1595430565 AGSMNTDRVVJHOS-CQSZACIVSA-N 443.341 4.853 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C 1595849931 HHANIPDIUDXGQE-IAGOWNOFSA-N 446.617 4.515 30 10 IJEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)cc1 1595890932 GCFTZTXDTBDIOM-SOUVJXGZSA-N 445.610 4.635 30 10 IJEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1596613465 VEBGRIXCYDVONW-XMMPIXPASA-N 440.609 4.610 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@H](C)C1 1596805939 AGBKJEHVWIZSOG-ZNMIVQPWSA-N 434.357 4.879 30 10 IJEE C=CCC[C@H](NC(=O)/C=C\C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(C(F)(F)F)cc1 1597058226 ODKGIQVWIYPLAM-JZHDPFOFSA-N 442.441 4.900 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc21 1598316172 MCJVRNALFFGXBV-QGZVFWFLSA-N 426.561 4.834 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC)CC#N 1611083606 TYJKMJGLATZKMP-UUOWRZLLSA-N 431.536 4.668 30 10 IJEE Cc1cccc(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)n1 1612219337 FOYWVUWAAVGZKX-GCJKJVERSA-N 446.599 4.967 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 1618172412 AGRFNJZBPDDHQW-IFXJQAMLSA-N 433.371 4.706 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N=[S@](C)(=O)c1ccc(N(C)C)cc1 1624102668 WFPPEKAVQDBOKD-GDLZYMKVSA-N 426.460 4.633 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(N3CCCC[C@@H]3C)ccc21 1624706055 DVRYKIJOCNCQCF-UGKGYDQZSA-N 439.600 4.651 30 10 IJEE Cc1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1F 1626603188 HGYWCWFMRFLEIR-UHFFFAOYSA-N 439.327 4.946 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)c2sccc2C)c1 1629059109 JKBUTAAOEKENBB-JOCHJYFZSA-N 437.586 4.567 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 1631504697 STNVVOCTKGCAIW-FXAWDEMLSA-N 435.996 4.532 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3ccc(F)cc3)c2CCC)CN(C(=O)OC(C)(C)C)C1 1632914315 GOBOVDNERPHYED-UHFFFAOYSA-N 442.535 4.716 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)C(=O)OC 1634883725 BVAKIBBGOXBGRW-HXUWFJFHSA-N 440.565 4.507 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c(C)n(C2CCCCC2)c2ccc(OC)cc12 1639969184 VPVSCNZUIQNYAO-UHFFFAOYSA-N 438.568 4.881 30 10 IJEE C=CCn1c(SCc2cc(OC)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 1643608403 LXEXHXGCKXGSFC-UHFFFAOYSA-N 425.535 4.908 30 10 IJEE C=CCC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1650895453 CUUIMNIGXLKJRC-MRXNPFEDSA-N 443.447 4.641 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1Cl 1654066931 CVHBXAMBSHERTC-SFHVURJKSA-N 447.944 4.830 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1 1654407252 DNRMUSGJKSASCH-GOSISDBHSA-N 433.474 4.703 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 1655562398 DQCBJLUYBKUIML-LJQANCHMSA-N 433.552 4.828 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1661119738 VEMOQQQMCSOGRU-FQEVSTJZSA-N 429.467 4.724 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O)c1ccc(F)c(F)c1 1661498148 FKGLFQPPHPOAFB-QFIPXVFZSA-N 448.535 4.595 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@](C)(O)c2cccc(F)c2)cc1OCC 1663310468 HHEHIJCOCCQRBK-NRFANRHFSA-N 438.337 4.549 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 1663462823 COIUMYPHZYZGOX-HNNXBMFYSA-N 426.794 4.628 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2COc3cc(F)ccc3C2)cc1 1668066040 FQKHAXBHGNVBSP-LJQANCHMSA-N 433.439 4.623 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1 1672961607 PBHINZQELFURMZ-UHFFFAOYSA-N 432.524 4.555 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1 1673819634 JGSHHWZDJMZFHY-SFHVURJKSA-N 449.551 4.669 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 1675869798 ACOWRDJPMHDLQB-VWLOTQADSA-N 449.595 4.800 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)c1ccc(Br)cc1 1679847133 QZBDQIMBEIAYLA-UTKZUKDTSA-N 427.342 4.551 30 10 IJEE C#CC1(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)CCCC1 1683007035 XICYZRDMJYPRED-GOSISDBHSA-N 427.545 4.881 30 10 IJEE C#C[C@@H](NC(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccc(F)cc1 1683664307 OSINFXMUWWYEGA-QGZVFWFLSA-N 437.696 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](SC)C(C)(C)C 1689838255 WOVSYAJPQHRIPU-PBHICJAKSA-N 435.435 4.943 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@@H]1C 1690026942 SBVSXRACMUXJPZ-IRXDYDNUSA-N 431.367 4.673 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C(C)C)N1CCCC1 1690059259 MTDFIUIIBBXNDR-DHIUTWEWSA-N 437.632 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1C[C@@H](C(CC)CC)N(C)C 1690200252 PREIETLKYCTGHE-WNCULLNHSA-N 444.627 4.852 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1690305453 AJIUVWOZZNWAFF-UHFFFAOYSA-N 441.963 4.768 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690420021 IQDXFHZERLORLT-GGAORHGYSA-N 437.632 4.775 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc2c(c1)OCCO2 1690450026 XYNDHORVMFFHIU-OAQYLSRUSA-N 426.561 4.522 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1690462358 DYMRORBWMJOISQ-VAMGGRTRSA-N 443.636 4.984 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1690475228 KAWVBZJCEZLLGW-UHFFFAOYSA-N 435.616 4.800 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCc1ccccc1 1690534570 CFYGMOSNLCEHOB-NRFANRHFSA-N 439.604 4.995 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1CCC[C@@H](C)C1)C1CC1 1690553936 NGTXUFLONWGSCC-YMPZKCBVSA-N 443.680 4.864 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@@H]1C(C)C 1690569004 AXGZSGUSUHIQFQ-FYYLOGMGSA-N 435.547 4.733 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1690700374 RIGNTAWPDRURPF-TVFCKZIOSA-N 428.499 4.595 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C)[C@H]1C 1690737754 WBMUTXCDSGUMFY-ZIAGYGMSSA-N 427.014 4.987 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1690742657 XHNGZPFRUMHDIJ-QFBILLFUSA-N 438.428 4.588 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1 1692842207 BFSBNAFXSLWFHQ-XLGIIRLISA-N 446.599 4.788 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)N(C)C1CC1 1705480716 XTYNQIPJBWUOEG-CABCVRRESA-N 428.005 4.754 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1705507614 APNHWXIUMRYSSB-NHCUHLMSSA-N 433.600 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCSC 1705590497 MXJUHSIOUGEWCR-UHFFFAOYSA-N 449.649 4.983 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1705623980 MDQZEKJDTNFVFP-ULQDDVLXSA-N 433.383 4.774 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N(C)C 1705670588 AZBHHJBDHWLEPA-AUSIDOKSSA-N 441.938 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](CCc2ccccc2)C1 1705694093 NWHDNRYGBVHOPE-RBVMOCNTSA-N 438.616 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1705702512 NBZYKOQOVMGUIE-DWXLDPMZSA-N 429.008 4.986 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705749003 HPCXALLNIRCBOJ-KKSFZXQISA-N 442.947 4.731 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@](C)(O)CCC(C)C)CC1 1705763613 ZBOIFZRHXRWRCZ-YADARESESA-N 430.568 4.901 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OC(F)(F)F)CC1 1705767304 HZKSCMZEYVNPNO-UHFFFAOYSA-N 429.446 4.752 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1705806515 GKIRTELUDMPZGJ-VAMGGRTRSA-N 443.636 4.841 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1705807320 ZAAAAILOPWCTTR-CQSZACIVSA-N 440.432 4.850 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1705887262 WQYPVHXSZYGJGH-FXAWDEMLSA-N 442.560 4.990 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2CCCCO2)CCS1 1706344569 BFJYXJYDAMUKKL-VXKWHMMOSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCC[C@@H](C)C1 1722281710 VMUOJMOSNZCQEZ-CTNGQTDRSA-N 444.627 4.770 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCSC(F)(F)F 1722298960 KJRYHXJVOMABAV-MRXNPFEDSA-N 440.535 5.000 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCc1csc(C(C)C)n1 1722415236 BEIKYAYCJUTUHR-UHFFFAOYSA-N 437.613 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1cccnc1 1722466894 HVXSBMUXVMHGAC-HOYKHHGWSA-N 435.959 4.701 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722555705 FPVUESGHFMZKCL-SJKOYZFVSA-N 445.778 4.778 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722575196 ZRZVYWMPQXTYAJ-NOXFTYBFSA-N 440.563 4.941 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722597569 NZYVUDMZMWZBFC-NRFANRHFSA-N 428.577 4.570 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCC1(F)F)C1CC1 1722646934 ZIFWNLMJHUTUGS-KRWDZBQOSA-N 432.515 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CCc1ccncc1 1722663231 XLCXSYPNECOZIU-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](SC)C(C)(C)C 1722666609 RGTSUEMYOKSFHQ-FQEVSTJZSA-N 428.602 4.672 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740666360 MHMYKIANPIMKMX-NZQKXSOJSA-N 431.584 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCn2ccnc21 1740767383 UAFCVBHMXLCDRO-OALUTQOASA-N 438.551 4.734 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1 1740781565 OHPIAIGDMHQJKF-FQEVSTJZSA-N 425.577 4.605 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740835963 KWSCUIMVCKHLKG-MWTRTKDXSA-N 432.515 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740845415 NRWZXXWOKTYEJQ-LJQANCHMSA-N 429.996 4.849 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1740846280 UBOBOEYQYGDROY-YLJYHZDGSA-N 425.602 4.914 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1Cc1ccccc1 1740852113 IVWHGVNCEPUGJA-VABKMULXSA-N 438.616 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740852568 OTOWDHQZMFPXLD-AKIFATBCSA-N 438.616 4.937 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1740878264 JQYPGSOUTXKZSC-UHFFFAOYSA-N 436.581 4.702 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1C 1740920234 JFZORVAOJBVBNZ-NQIIRXRSSA-N 436.579 4.908 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@@H](O)C1 1740920588 RSDUAYBPQHFZLL-RBBKRZOGSA-N 426.580 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC[C@@H](C)C1 1740930337 RPTOOOAUTHVLPT-UXHICEINSA-N 446.599 4.851 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(C2CC2)CC1 1740939481 XVTCOCPCGHVARP-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1747797529 HBEFOTJKFQEXTO-UHFFFAOYSA-N 428.512 4.735 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1748702427 HIVYNESSELJKIF-NRFANRHFSA-N 447.583 4.542 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1748724149 MIXAUSBCVYDQLX-UHFFFAOYSA-N 428.552 4.584 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nc(C(C)C)cs1 1748834370 KXHCOYFZFFPUDW-UHFFFAOYSA-N 444.391 4.953 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@@H]1C 1748882577 XPDJSUIUTCRPJA-IRXDYDNUSA-N 443.364 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1749129231 BRDRMIKTNNKREV-OHCHIEETSA-N 438.616 4.814 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1749276281 GYYNFGDJTCFENZ-VQIMIIECSA-N 427.980 4.744 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1749312370 JXEWXQYRUFNOED-XMMPIXPASA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)OC)CC1 1749331065 CSTZQKILWFCMQE-UHFFFAOYSA-N 433.394 4.843 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)C1)c1ccccc1 1749385961 WLDIITZEYJJDJZ-FQEVSTJZSA-N 437.613 4.609 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1749525124 HYCDUTPGRIMZKN-UHFFFAOYSA-N 425.524 4.884 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CSCCS1 1749584825 RXCKPRDBEXHBON-SFTDATJTSA-N 444.670 4.603 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(O)c1 1749586963 CDFCLVLFDQGEGS-UHFFFAOYSA-N 435.915 4.576 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](OCC(C)C)C1 1749642635 XYYQVXULBJZDID-MRXNPFEDSA-N 425.360 4.601 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(CCOC)CCC2)C1 1749699934 FLGGKPVBINPJNW-HXUWFJFHSA-N 430.980 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)Cc2cccs2)C1 1749713918 AUXXLHZOTXEROA-DENIHFKCSA-N 436.625 4.899 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760129060 DODQUFWMKLOYQC-LJQANCHMSA-N 442.007 4.537 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760134600 SFSVWAMKQHSLKH-XZOQPEGZSA-N 436.600 4.931 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@H](COC)C1 1760301500 CDZHMSAXERIFMM-HNNXBMFYSA-N 439.785 4.760 30 10 IJEE C=C(Br)Cn1c(N(CCCCOC)Cc2ccccc2)nnc1C(C)(C)C 1760314448 NAUHIJANUIAUKK-UHFFFAOYSA-N 435.410 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760413994 AUDOXIXSEKEQPO-LJQANCHMSA-N 449.603 4.757 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760415261 SHRUOLCPPMHLLA-KRWDZBQOSA-N 429.634 4.744 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1)c1ccccc1 1760418068 MFUYESQUDUWTIA-XZOQPEGZSA-N 435.616 4.791 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)C)C2)on1 1762176432 AKAJZEMTELTTSF-QHCPKHFHSA-N 448.571 4.618 30 10 IJEE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747579 NBLIOLGFRXUCKH-UHFFFAOYSA-N 432.480 4.621 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1C1CCCCC1)C(=O)ON1C(=O)c2ccccc2C1=O 1772789672 CXIRDNPPYUHWPF-CQSZACIVSA-N 427.884 4.909 30 10 IJEE COc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc([N+](=O)[O-])cc2)c1 1859404181 BRZWVAQRIKCICH-UHFFFAOYSA-N 439.431 4.580 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Cl 1862416958 MSUZACPJOWKPFJ-LJQANCHMSA-N 435.854 4.623 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1 1862468579 RWQAJIHCIFKLOM-XIKOKIGWSA-N 430.298 4.532 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1 1862548816 AHFIMEPOIRNNFS-HSZRJFAPSA-N 447.531 4.586 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862591561 JLGDYIITZQNRQD-MWTRTKDXSA-N 429.472 4.740 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862597305 YPAMOLGCSXUXAR-DEOSSOPVSA-N 438.483 4.960 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(F)cc2)cc1 1862614771 DSGNIQYJJRRRMS-QFIPXVFZSA-N 439.527 4.864 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 1862620436 RTCRLNVOYCMHCC-JOCHJYFZSA-N 437.536 4.933 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862747698 VERNZAXMQKPWDU-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(F)cccc1Cl 1862757255 WHEXIPNCVDAOCC-GOSISDBHSA-N 432.835 4.622 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)cc1 1863315881 WURNMWCBGHEPOY-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCOC(C)C)C1=O 1863788110 SVPWMZLWEYLRCN-UHFFFAOYSA-N 432.580 4.979 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc2cc(Cl)ccc2n1 1870162681 YMMDCDBVAXQJGR-UHFFFAOYSA-N 442.788 4.612 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2cccc(Br)c2)cc1=O 1871004451 FXFDGYJRQJSLHK-UHFFFAOYSA-N 437.337 4.592 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(CCc3nc5ccccc5[nH]3)CO4)C2=O)c1 1871349638 UPRTZTWUCHNALJ-OYKKKHCWSA-N 437.499 4.882 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OCCC(=O)OC)cc(C)c3C2=O)c2cc(OC)ccc21 1871440093 XZHMURXIQBRVSM-JJFYIABZSA-N 435.476 4.536 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(C)(=O)=O 1872164815 HWKJTNDFZLVHCX-QFIPXVFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1872423189 UQDVHBQDCLNDHV-QHCPKHFHSA-N 438.524 4.691 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(F)cc1 1872434866 VZTAXSRUGPFDHO-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872549177 BSUCVNBLEHEYFT-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)cc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872582157 LBOKYSFVBUVMFY-JPYJTQIMSA-N 444.597 4.624 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 1872776722 WARIHIKIZRLROF-OAHLLOKOSA-N 448.306 4.862 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cc(C)ccc1O 1874236648 SLTVXRZMKSOKDN-OEAKJJBVSA-N 426.542 4.654 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874264837 CJRRGCLFGQARER-FOKLQQMPSA-N 442.928 4.759 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(OCC)c2)cc1 1874615435 YANJADNLHVQTIY-NTUHNPAUSA-N 426.509 4.958 30 10 IJEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1 1874706019 LQDPMKGEYVNLNF-KPKJPENVSA-N 444.483 4.901 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1F 1874707208 UTLDUSDQXJKXMV-DHZHZOJOSA-N 436.435 4.723 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(CCO)CCCC)n2C 1875197581 QWRAVPAOCCJXNH-UHFFFAOYSA-N 431.625 4.756 30 10 IJEE C[C@@H](C1CC1)N(CCC#N)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1902260405 BXYORJPYJNAWFC-SFHVURJKSA-N 443.547 4.598 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)s1 1951887018 RPBIAFXAYWXXNU-XMMPIXPASA-N 432.501 4.848 30 10 IJEE C#CC[C@@H](C[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC)C1CC1 2020083857 XDQVWJXFKLQBCN-RBZQAINGSA-N 428.617 4.904 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(C)c(Br)s1 2082349643 GWKSLEHQXUYTHL-AWEZNQCLSA-N 431.396 4.637 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1cc(Br)cc(F)c1C#N 2107437725 BSIYQHZQQGCPHU-SJKOYZFVSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H](CNc2cc(Br)cc(F)c2C#N)C1 2107449082 CZPWFAZAZFHJFZ-ZDUSSCGKSA-N 426.330 4.909 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 2145527838 CNCAMRJLUVGMHG-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2N1c1cc(Br)c(C#N)cc1F 2174766062 UCCWGHZJWRAAGS-HACGYAERSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)C1(C)C 2181105486 LMVWJGBNESRIQG-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(C#N)cc2Br)N(C(=O)OC(C)(C)C)C1 2181149042 YXUGQCVEATVMQG-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Oc3cc(Br)cnc3C#N)C2)CC1 2198820393 PVCJDOILGXCUJQ-HNNXBMFYSA-N 436.350 4.664 30 10 IJEE CCCC#C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2213311993 XSBADUUWLHRCOB-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2cc(Br)cc(C#N)c2)(C(F)F)CC1 2227498137 XBTZCCTWHJOHSG-UHFFFAOYSA-N 430.293 4.767 30 10 IJEE COc1cc(CNC(=O)OC(C)(C)C)ccc1Oc1cc(Br)cnc1C#N 2235391399 AOGAJFQQWCWGNC-UHFFFAOYSA-N 434.290 4.541 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CCNC(=O)OC(C)(C)C)C(C)C 2235716719 GZHIEZXJIREGQE-QUCCMNQESA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CSCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2246706756 DBOFWPPYBSLMQN-IBGZPJMESA-N 433.423 4.619 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2255524651 SVQBHOAJTGRNIQ-GOSISDBHSA-N 425.353 4.812 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2267565583 PUURHUVSYHMSDN-BDTNDASRSA-N 440.437 4.666 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1cc(Br)cc(OC(F)(F)F)c1 2272999733 WEMCHPOBPPTQDI-KBPBESRZSA-N 439.272 4.817 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC(F)(F)F)c1 2273011036 DBQBRMHRKKFUJP-ZIAGYGMSSA-N 439.272 4.688 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(Nc3cc(Br)cc(F)c3C#N)C2)C1 2280209498 UZJOZCIVWMCZLB-DNOWBOINSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2c(Br)cccc2C#N)[C@@H](C(F)(F)F)C1 2285189148 BCTSFKVNAXNJML-TZMCWYRMSA-N 448.283 4.745 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@H](O)C#Cc1ccccc1Br 2288117092 UQHCPXVQNNEPJZ-LJQANCHMSA-N 436.390 4.979 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2296221664 KOSDCCWRVBVANY-CRAIPNDOSA-N 449.311 4.624 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2296295145 ABJFBIQPIKBMJP-YSIASYRMSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296311555 YIEYVTKIIJMBAG-NSISKUIASA-N 435.406 4.814 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2305321325 BSBJMZWIEDYPRQ-RUZDIDTESA-N 428.573 4.842 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 2314028193 GSQJZSFELNITQS-MOPGFXCFSA-N 445.560 4.974 30 10 IJEE C#CCCCCC[S@@](=N)(=O)c1cc(I)ccc1Br 2316471545 BRHIFHSGIPYWIS-GOSISDBHSA-N 440.144 4.653 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317345404 VDOMOMAZCJBPJJ-SFHVURJKSA-N 430.354 4.505 30 10 IJEE COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccc([N+](=O)[O-])cc1 2322475011 JPSQYUUVLIQGSZ-UHFFFAOYSA-N 434.404 4.987 30 10 IJEE CCc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)OCCO2 2322667462 HZIJUIOTOJJIMF-UHFFFAOYSA-N 443.499 4.934 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCCCO)c(C)c1C 2322825247 HTRGODFKZHPLND-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCC(=O)OCC(C)C 2323330441 SGHWAOXTKFDECC-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2323472413 GRQMUPCKRHUFBX-CJMBIHEQSA-N 442.600 4.992 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2324474136 UEMVZAOLJASAIM-INIZCTEOSA-N 433.460 4.927 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)c1 2324583886 MLUDKKJCQVZZBC-GOSISDBHSA-N 435.461 4.625 30 10 IJEE CCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O 2324879717 BBCMRYHPBXUPMV-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(C(C)C)cc1 2325918214 PTDFAGRQYOVSDD-JOCHJYFZSA-N 447.608 4.912 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1c[nH]c2ccccc12 2326458336 YXGMDJHQXKUNIZ-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1c(O)ccc2ccccc12 2326789521 ONPFCVBPLBVWAF-UHFFFAOYSA-N 446.532 4.660 30 10 IJEE Cn1cccc1C=Nn1c(CCCOc2ccccc2)nnc1SCc1cccc(F)c1 2328724678 ORACPYWMJAMLQJ-UHFFFAOYSA-N 449.555 4.942 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2328857584 UZNDJRYCPCZZRB-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE CSc1nnc(CCc2cccs2)n1N=Cc1cc(Br)ccc1F 2329625838 VCXZKDHWOLWUTC-UHFFFAOYSA-N 425.352 4.631 30 10 IJEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330147749 LKNVFFJBFKYWFR-QGZVFWFLSA-N 447.564 4.839 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1OC 2331382521 CFYVETKLELEVGX-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1 2365109456 WLAWVKNBOCONQI-AINYZZLYSA-N 447.432 4.718 30 10 IJEE CCCn1nc(Br)nc1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 2382108373 FMIUJZKZBJUPKI-UHFFFAOYSA-N 435.322 4.694 30 10 IJEE Cc1cc(C)cc(NC2=C(N3CCN(c4ccccc4)CC3)C(=O)c3ccccc3C2=O)c1 20059563 WEDQSDSUMJOZAS-UHFFFAOYSA-N 437.543 4.828 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 41287558 ISDIYGSMBMZUSB-JJFYIABZSA-N 430.412 4.568 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 103105170 GLJLHVDEHIQVLJ-HQMFNGAOSA-N 449.488 4.603 30 10 IJEE CCCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2ccccc2)C2=C1CCCC2=O 169929975 XRRITUWEHZACPD-QHCPKHFHSA-N 436.577 4.923 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(O)c2)cc1 170080164 ILXNYYCUUGXCSS-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170096956 YGZGHLGUDSDMMU-QHCPKHFHSA-N 442.471 4.938 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(N(CC)CC)cc1 170138925 AGBGZNPVPWULEM-LJQANCHMSA-N 427.570 4.594 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccccn1 170181048 VRJDUWDFZFEGEK-HXUWFJFHSA-N 444.915 4.521 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(F)cc1 170238984 ZYWPWTUDMBYCJB-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)cc1OC 170249642 KAIIBNMOQJLKDU-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccco2)cc1C(C)C 170295432 JFAZKAXRPIBIER-QFIPXVFZSA-N 441.524 4.805 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccncc1)c1cccs1 170357301 YSPDHVIJLIXSGF-JOCHJYFZSA-N 445.544 4.916 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170360498 HSQTXFXYRQAGLY-NRFANRHFSA-N 449.484 4.658 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2 226901796 XQCDRKNRIQHGBG-RNHFSVANSA-N 432.545 4.836 30 10 IJEE Cc1ccc(NC(=S)NN=C2C(=O)N(Cc3ccccc3C)c3ccccc32)cc1C 254304540 IPCZZZRDOKUHKF-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)cc1[N+](=O)[O-] 303326478 IUUIFBDSXPBHPU-LLVKDONJSA-N 425.919 4.752 30 10 IJEE N#CCOc1cccc(CNc2ccc(I)c(Br)c2)c1 312772813 NFDBFZBQFOVEIK-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE N#CCCCOc1cccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 495075800 VAHBKKBJYFGNHR-UHFFFAOYSA-N 441.557 4.626 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 508683718 RVWGIWYJLGHDLF-JKSUJKDBSA-N 437.371 4.603 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508867451 QAWPCLASWGPRLQ-DEOSSOPVSA-N 441.535 4.842 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)nc1 511938012 BLTVXKJIGWNGKC-UHFFFAOYSA-N 443.551 4.714 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(Cn2c(C)nnc2-c2cccc(C#N)c2)cs1 523499698 BTDSNKFVELCNBT-UHFFFAOYSA-N 448.939 4.968 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 608941464 PKIOFXOBHNLCME-DSITVLBTSA-N 427.548 4.546 30 10 IJEE Cc1c(CNC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)oc2ccccc12 609947279 QFMMFXMUTLMDNY-UHFFFAOYSA-N 425.444 4.660 30 10 IJEE Clc1cc(I)ccc1N=C1NC2(CCSCC2)CCS1 719677901 WWRFCNSTQCNXJA-UHFFFAOYSA-N 438.787 4.924 30 10 IJEE Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727628397 IUFYIXCEHDASHZ-GOSISDBHSA-N 442.544 4.894 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 735344697 MIVSAJUCPZSGAF-UHFFFAOYSA-N 428.803 4.584 30 10 IJEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C2)cc1 739598289 HKLGVODNOACDBC-JOCHJYFZSA-N 443.572 4.764 30 10 IJEE COc1ccc(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C#N 747389935 RPTVVOGZPRLTTK-MRXNPFEDSA-N 446.482 4.519 30 10 IJEE C=CCn1c(-c2cnccn2)nn(CN2CCCC[C@H]2c2cccc(Cl)c2)c1=S 766666314 OMJWNIVADSBLHR-IBGZPJMESA-N 426.977 4.895 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)CCCN1C(=O)OC(C)(C)C 790487609 BIKZXXYRZVKJRQ-QFIPXVFZSA-N 435.952 4.973 30 10 IJEE CCn1cc(N=c2scc(-c3ccc4c(c3)C(C)(C)C(=O)N4)n2CC2(CC#N)CC2)cn1 797422063 GWHAXPKKSGTLGL-UHFFFAOYSA-N 446.580 4.589 30 10 IJEE N#Cc1cccc([C@@H]2CN(c3nnc(CCc4ccccc4)n3Cc3ccccc3)CCO2)c1 802128293 ODVYOMQHFUXEEL-SANMLTNESA-N 449.558 4.561 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H](C)c1cc(C)ccc1C 809920816 DSXIBPXHCICFFO-FQEVSTJZSA-N 433.556 4.705 30 10 IJEE CC(=NOC(=O)COc1ccc(Br)cc1Br)c1cccs1 1084128764 SCVKWBOUUXVJCX-UHFFFAOYSA-N 433.121 4.619 30 10 IJEE O=[N+]([O-])c1ccc2nc(N=Cc3ccc(Sc4nnnn4-c4ccccc4)o3)sc2c1 1084557379 XJKQQBYSYPWJRQ-UHFFFAOYSA-N 449.477 4.675 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cc1csc(-c2cccc(C)c2)n1 1124535960 YTMGXAJLZFURSV-UHFFFAOYSA-N 437.517 4.790 30 10 IJEE Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(Sc4ccccc4C#N)cc3)C2=O)cc1 1126270946 AOGGGCDBJUVRKI-JOCHJYFZSA-N 427.529 4.553 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CCn1c(S)nnc1-c1ccc(OCC)cc1 1136769049 YBTFIVAVUAWNCN-UHFFFAOYSA-N 428.602 4.618 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1142886120 DZCMLXGDFMLGBL-UHFFFAOYSA-N 444.535 4.880 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccccc1 1158670675 WSYVZENHMDDGNH-WJOKGBTCSA-N 440.565 4.766 30 10 IJEE Cc1c(S(=O)(=O)NCc2cccc(NC(=O)CC(C)C)c2)sc2ccc(C#N)cc12 1185927017 DUHNYFOXPYWQEJ-UHFFFAOYSA-N 441.578 4.545 30 10 IJEE COc1cccc([C@H](NS(=O)(=O)c2cc(C#N)ccc2C)c2ccccc2Cl)c1 1187063459 DFYRFZOOYQXHIR-QFIPXVFZSA-N 426.925 4.597 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@H]2c2noc(C(C)C)n2)n(-c2ccccc2)c1C 1191380887 CJECZAXCFLZNQF-NRFANRHFSA-N 446.555 4.638 30 10 IJEE C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1198173275 BQPGLCHXSHGQDO-SXTKOZQMSA-N 437.609 4.924 30 10 IJEE C#CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 1202952777 WZGAZQPAHDXAKM-GOSISDBHSA-N 428.286 4.902 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1214473975 MNEDNVXTQUBYGP-UHFFFAOYSA-N 441.597 4.780 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1220183949 DTCFBLFYICAQSH-FQEVSTJZSA-N 439.560 4.853 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1c(C)sc(C)c1Br 1286286170 VFVUWRFXBVDCIF-CYBMUJFWSA-N 444.402 4.596 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCC1(F)F 1286402633 YVTNRBYNDHLUSR-KRWDZBQOSA-N 447.327 4.606 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCCCC1 1286457467 PUQGOSHDSAPACY-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccsc1Br 1286521966 GPJZAQLWLICFEY-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](OC)C(C)(C)C 1286529130 UHPDBLOCFFWBOC-GBXCKJPGSA-N 426.630 4.932 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CCC)CCC2)CC1 1286664871 KHWYGMLFHLJKTB-UHFFFAOYSA-N 427.618 4.642 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286691375 YNYRXNAYYJNXIU-LJQANCHMSA-N 441.576 4.869 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)(F)F 1286698780 HCEYIFCYVMCXRD-MRXNPFEDSA-N 445.530 4.747 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CC(C)(C)C(F)(F)F)C1 1286805281 POYYGQQSNUTGPZ-QGZVFWFLSA-N 445.489 4.863 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCSC2)C1 1286813426 UVTTYDDRPSXBJU-PMACEKPBSA-N 444.670 4.803 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(OC(F)F)c(F)c1 1287023003 CVUOZUCZWLWDAD-UHFFFAOYSA-N 435.494 4.786 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC(C)(C)c1cccs1 1298325068 DZAVTVKJRPRZSD-UHFFFAOYSA-N 428.565 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(OCC)CCCC1 1300293051 OHYICNQXQZECFK-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]2CCC[C@H]21 1300424534 JBXJOVAMBFLENP-AQNXPRMDSA-N 427.593 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1300612335 ZFSCSRRIJGORRT-UHFFFAOYSA-N 445.995 4.705 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCCOC1CCCC1 1300648256 MJOIHBBSYGUKOE-UHFFFAOYSA-N 447.558 4.777 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OCC)cc1 1300877095 UKLLYHJOHKFWNX-NZQKXSOJSA-N 436.556 4.863 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(-n2cccn2)c1 1300918142 UCBAPFKYVHSFIB-UHFFFAOYSA-N 447.974 4.554 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H]2CC)CC1 1301063983 LYBYGFNXKUUBFY-VQTJNVASSA-N 442.007 4.844 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1301119662 RGGHAVOINPFJMN-RXFWQSSRSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@H](F)C1 1301337367 FKOQTOMKFPHGCW-HBMCJLEFSA-N 428.552 4.512 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1CCC(=O)N1CCCCCC1 1301340411 HDYSHZAKNULVND-NRFANRHFSA-N 448.615 4.649 30 10 IJEE C=CC(C)(C)CCNC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1301364346 KWBXWLRPCTVVLG-UHFFFAOYSA-N 428.598 4.607 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCC(F)(F)C1 1301426757 WGWLZIKEIUQEPF-GOSISDBHSA-N 436.522 4.862 30 10 IJEE C#CCC[C@H](O)CNCc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 1308507930 VOYPWNKCGXHCSI-VWLOTQADSA-N 425.532 4.565 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(OC)c(Br)cc1Br 1310666488 PCRFWSOXDMTWGO-PHIMTYICSA-N 430.140 4.935 30 10 IJEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccccc2C(F)(F)F)CC1 1316537648 FBIBGLFQKNWSLK-HXUWFJFHSA-N 447.505 4.911 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1O[C@@H]1CCOC1 1353479302 ALDXKHMVSUBEPA-XMMPIXPASA-N 444.506 4.949 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(Br)c(Cl)c1 1356626737 ANOCTWCFKJHNJY-CQSZACIVSA-N 430.730 4.628 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1357490813 LMWABKOUPUWTFG-NRFANRHFSA-N 442.478 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCC(C)CC1 1358872393 UFLZELRJVZCKFT-JTHBVZDNSA-N 437.632 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1358890734 UXPSKTBCPJGYPP-MKSNKDDYSA-N 434.462 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1CC(C)(C)C1 1358896502 FXEGAVDFBFWFLF-HNNXBMFYSA-N 431.378 4.514 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C)(C)CC1 1358924496 YLQNRWZZPWOLAC-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCCCC1 1359052207 YBKNCJXXRVLXND-UHFFFAOYSA-N 436.581 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1Cc1sccc1Br 1359068359 XLGUVLYNDHZNOT-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCC1CCN(CC)CC1 1359074039 OGRHAMJJMFLUSL-HHHXNRCGSA-N 449.643 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](CC)C1 1359093853 UAKFKUALQXWQGS-POAQFYNOSA-N 445.405 4.925 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359117623 KYCAWHOPOCUULF-KNQAVFIVSA-N 437.632 4.922 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1359118177 SENLUJOZTMSKKD-HNNXBMFYSA-N 444.377 4.688 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(OC(C)C)CC1 1359119184 ZNUNVINTSVSQCH-UHFFFAOYSA-N 433.394 4.986 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(Cc1cccc(OC)c1)C[C@H]1CCCO1 1359151882 FQYVOKMCUKXKCQ-HXUWFJFHSA-N 432.996 4.813 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1359236502 NUQIOACZNXOWGY-UHFFFAOYSA-N 438.576 4.522 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)on1 1359260151 UWIZIUPWRFWIBP-UHFFFAOYSA-N 438.894 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCCN1CCCC[C@H]1C 1359262884 IMDLMJNOYXIYCK-HXUWFJFHSA-N 436.629 4.859 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@@H](C)C2)cc1 1359307470 LNPXBIBXHOVKLE-INIZCTEOSA-N 441.988 4.548 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CC1CC1)c1cccnc1 1359658561 DJNGLGPHPCGCQO-XMMPIXPASA-N 439.567 4.782 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCC(C)(C)O)cc1 1359951827 GYVKMMHJGUXBCI-UHFFFAOYSA-N 439.604 4.661 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2nc(-c3ccc(C(F)(F)F)cc3)sc2C)n1 1436122830 ALUYDGOSJBEAJQ-UHFFFAOYSA-N 432.471 4.629 30 10 IJEE C=CCC1(NC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)CCOCC1 1437483239 UATNNSTXRFPTML-UHFFFAOYSA-N 433.346 4.587 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1-n1cccn1 1441822477 XMRAMJDONWQLDY-HNNXBMFYSA-N 425.316 4.500 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(OC(F)(F)F)cccc3[nH]2)cc(OC)c1OC 1442517062 IRSMJORDEKCSNF-UHFFFAOYSA-N 434.414 4.742 30 10 IJEE CC1(C)CCCC[C@@H]1CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1443664062 HOXULINZEFDGFZ-QUCCMNQESA-N 432.406 4.764 30 10 IJEE C=CCn1c(SCCSc2cccc(OC)c2)nnc1[C@H]1COc2ccccc2O1 1458827330 NLWAQBJMFHIWMS-HXUWFJFHSA-N 441.578 4.870 30 10 IJEE C=CCC[C@@H](C(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1459763630 IZNNTGSPJHJXGI-JOCHJYFZSA-N 428.532 4.581 30 10 IJEE COc1ccccc1OC[C@@H](C)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1466176783 BTDJYFRWJWDDHG-IBGZPJMESA-N 430.504 4.591 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCCCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472907629 GSDBGPWGSZHOTJ-JKSUJKDBSA-N 445.654 4.652 30 10 IJEE C=CCCCN(CC)C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1475960120 TYLKTLYBWBTFQM-UHFFFAOYSA-N 438.450 4.888 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 1476729712 YUEOXVMRXKEEEB-LJQANCHMSA-N 444.373 4.800 30 10 IJEE C#CCN(C(=O)Nc1ccccc1COC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1477090121 YRRKQVDKESVVSE-UHFFFAOYSA-N 443.588 4.868 30 10 IJEE CCCCc1ccc([C@H](NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c2cccs2)cc1 1477458830 FUVGSOLKBJUKIO-NRFANRHFSA-N 439.581 4.668 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1495561767 HYLPSLWDZGTLSY-HHJKRLRDSA-N 439.604 4.818 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1Cc1cscc1C(F)(F)F 1507541915 NBJBOGNDPJIUMR-OAHLLOKOSA-N 443.498 4.868 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1507561831 DNZIUCIUCUFPBH-CALCHBBNSA-N 443.389 4.612 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)CN1CCCCC1 1507679217 ISJWHBFIICTKQM-OFNKIYASSA-N 437.632 4.616 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc(OC)cc1 1507700207 QFYLSUDOGULXKX-FGZHOGPDSA-N 438.616 4.643 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@@H](C)C1 1507704338 XUCPQRVFQPDSIM-NFBKMPQASA-N 445.611 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1507812759 PQPNPHNQPRCDSK-IPJJNNNSSA-N 428.552 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCO[C@@H]1C(C)C 1507814984 JTFRANUPPJEATH-NFBKMPQASA-N 440.588 4.570 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@](C)(CC)C1 1507859164 OXQHWDWGYGDUGK-LJQANCHMSA-N 439.785 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1507913568 ZXHJBEBDXLGMCX-UXHICEINSA-N 430.980 4.585 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1507933747 SDUJZJIXUHHYIV-UHFFFAOYSA-N 430.600 4.557 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1508010029 IVZFRBFNMXLCEH-QFZWGZQFSA-N 440.563 4.755 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1C(C)(C)C)C(C)C 1508014520 VEWMTDKQJXOGNC-XZOQPEGZSA-N 443.680 4.527 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1508160836 XPAJIXNGCKTIAU-SFHVURJKSA-N 429.609 4.709 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C 1512418376 FQQYONJJECNKMZ-HOTGVXAUSA-N 440.473 4.565 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)cc1OC 1516002499 USASSNVZFQIDHF-YICVCXCLSA-N 437.927 4.529 30 10 IJEE C=CCn1cc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2ccc(Br)cc2)nn1 1516738354 YNOPIAOSPCLFBD-LJQANCHMSA-N 445.748 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 1524517112 XLXVVJZXXCURNM-ORYQWCPZSA-N 448.332 4.806 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 1527932690 RDLAKVHZKRDBMD-IBGZPJMESA-N 444.572 4.526 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 1529684522 RMYQPNJFEWESLC-AWEZNQCLSA-N 435.877 4.909 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 1530960141 CREIDBOXYILEQU-AWEZNQCLSA-N 429.303 4.975 30 10 IJEE CC[C@]1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)OCCc2ccccc21 1535048387 DCWPPNBIOMUSOG-HHHXNRCGSA-N 426.516 4.745 30 10 IJEE COc1ccc2c(c1)[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)CCC2 1535466342 ARZMOHIMLDZPFD-XMMPIXPASA-N 428.536 4.897 30 10 IJEE Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(CCC#N)cc3)nc(O)c2c1C 1538017821 JAUOKXDMJQDQKO-CQSZACIVSA-N 426.567 4.730 30 10 IJEE C=CCN(C(=O)CC1CCC(C(F)(F)F)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618151 DIPZQCGETIOIPZ-MHJFOBGBSA-N 425.491 4.934 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(N(CC)CC)nc1 1538970293 BUMMCYIVHGTNIM-NFBKMPQASA-N 430.600 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1538986888 OYEJTNQAPGPDCS-NXMSCROESA-N 444.023 4.576 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCSc1nccs1 1538987914 XQDNKCPWXLRWHT-CYBMUJFWSA-N 435.981 4.834 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1539345247 RWQWDFSWMIPUPN-GOTSBHOMSA-N 433.644 4.576 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(C)C)C1 1539592851 NANSIUMAHZAEJP-QGZVFWFLSA-N 441.377 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CC#N)CC1 1539617376 WBXUMOMFYCDDNU-SMIHKQSGSA-N 433.600 4.931 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC=C(C(C)(C)C)CC1 1539638241 YIZWCJFVCOGNIO-XMSQKQJNSA-N 441.645 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1nccs1 1539642712 JPHONVJPVFOUSI-REWPJTCUSA-N 437.613 4.528 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1ncc(CC)s1 1540119953 NQKUZCZATCZTKR-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C1CC1 1540141085 YZEOXXUEZHJMII-GOSISDBHSA-N 432.597 4.554 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)CCCO1 1540186939 JCCVDDRHOPNGEU-XMMPIXPASA-N 440.975 4.920 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1540918317 OHZABDATYNZVQF-UHFFFAOYSA-N 426.483 4.626 30 10 IJEE CN1CCN([C@H](C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)c2ccccc2)CC1 1543196680 AUIVAMYGOQNDOR-VWLOTQADSA-N 442.588 4.637 30 10 IJEE C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1cccc(C#N)c1 1544187329 BTBMNUILFHPASD-MRXNPFEDSA-N 446.956 4.694 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)c3cc4c(Br)ccc(Cl)c4[nH]3)CCO2)c1 1556071247 GJAPVHOHPDZMSV-GOSISDBHSA-N 444.716 4.669 30 10 IJEE COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 1559609201 AQBYVARWFRQFKL-LJQANCHMSA-N 448.350 4.746 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 1564524181 HFVNMDGSFAPZOR-FQEVSTJZSA-N 433.552 4.900 30 10 IJEE C#CCN(C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1CCCc2ccccc21 1564965597 IWNHJKQVQMDTCJ-XMMPIXPASA-N 447.579 4.934 30 10 IJEE C#C[C@@H](NC(=O)NC1(c2ccc(OC)cc2)CCCC1)c1ccc(Br)cc1 1565000536 YXHFDDORHGWFOG-HXUWFJFHSA-N 427.342 4.901 30 10 IJEE C=CCN(C(=O)c1cc2c(Cl)nccc2s1)[C@@H](Cc1ccccc1)C(=O)OCC 1585021222 QMWKQASKPIMBTC-KRWDZBQOSA-N 428.941 4.752 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1587705471 DXZAREZCSGTDGN-UXHICEINSA-N 440.588 4.624 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC=C(Br)C1 1587777600 KOCTXUCICJKROM-UHFFFAOYSA-N 438.373 4.643 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCC[C@H]1CC 1589177803 MRXRPWXVOLPTIH-ZJSXRUAMSA-N 426.008 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)C(C)C 1589615192 MYUQVUJEEVNWCY-NRFANRHFSA-N 435.410 4.825 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(NC(C)C)CC1 1589715987 YUPCDGPSNNJWCZ-UHFFFAOYSA-N 432.616 4.896 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1594720964 YTJDUJXAAGPDRB-IBGZPJMESA-N 434.588 4.514 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1coc(-c2ccc(C)cc2)n1 1595009152 AZFLMSTYBXJKLZ-NHCUHLMSSA-N 435.572 4.831 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1sccc1C)C1CC1 1595071154 ZVHPHORPQJEFFV-SFHVURJKSA-N 443.617 4.923 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(=C)C 1595233970 BEUXNVKGVABLBO-UPVQGACJSA-N 429.568 4.556 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOc1ccc(F)cc1 1595335528 UKSMCUOFKFFEBG-INIZCTEOSA-N 426.561 4.972 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2scnc2C)cc1 1595614473 VGVGJYJMSNYEOR-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl 1597602466 XJXLGVSXQODUBL-AEFFLSMTSA-N 427.372 4.909 30 10 IJEE CC(C)(Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)N1CCCCC1 1597751324 AWTUUBODMACFRI-UHFFFAOYSA-N 441.023 4.993 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccsc1 1611753435 BRLQPJNXTYOGBK-MRXNPFEDSA-N 425.533 4.797 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCC1CCN(CC(F)(F)F)CC1 1612256150 AEHHOBLMXLBVOC-GOSISDBHSA-N 448.537 4.656 30 10 IJEE Cc1nn(-c2ccccc2)c(CSc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1C#N 1613589719 DVZJUGKIWMDDNO-UHFFFAOYSA-N 437.468 4.638 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 1616817755 JYVVLPFJDPATDQ-WJOKGBTCSA-N 428.517 4.788 30 10 IJEE CC(C)(C)OC(=O)c1ccccc1OCCN1CCC(Oc2ccc(C#N)cc2F)CC1 1617773182 BTBWJVLOVUUGIA-UHFFFAOYSA-N 440.515 4.575 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 1618463267 UFIIDHWJQIHHPO-UHFFFAOYSA-N 434.540 4.879 30 10 IJEE C=CCc1cc(C(=O)N2C[C@H](C)Oc3cc(Br)ccc32)cc(OC)c1OC 1618825293 BLSYJTQCHBHZTP-ZDUSSCGKSA-N 432.314 4.623 30 10 IJEE Cc1c(S(=O)(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)sc2ccc(C#N)cc12 1621965410 BTEVMCQYCQTOEZ-FQEVSTJZSA-N 446.569 4.601 30 10 IJEE C#CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1628678385 KAVBOXPBQRSUPD-ISKFKSNPSA-N 437.543 4.650 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2C)c1 1628986469 YTXWNKCJYRCDRK-UHFFFAOYSA-N 433.529 4.623 30 10 IJEE COc1ccccc1OC[C@H](C)CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1630898494 ALPINCKSRYRURK-QGZVFWFLSA-N 434.467 4.943 30 10 IJEE C#CCN(C(=O)c1cc2c(cc1O)CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1633715154 YGBJEFGVKXTIFA-HXUWFJFHSA-N 440.337 4.633 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 1636892251 QDALCVVUFZRXFN-FXTUREPZSA-N 449.636 4.615 30 10 IJEE C#CC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2)C(=O)OC 1637697841 YCRMZUAWFJTINL-UZOYXQLSSA-N 444.918 4.670 30 10 IJEE C#CCN(CC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1)C(=O)OC(C)(C)C 1641792920 JIBBVSAPJFUVMT-UHFFFAOYSA-N 425.356 4.570 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)COCC2CCCCC2)n(-c2ccc(F)cc2)c1C 1654859423 BICYFYCNEVIBNJ-QGZVFWFLSA-N 440.563 4.618 30 10 IJEE C=CCN(CC=C)[C@@H](CNCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C(C)C 1655261740 UTBCYJLXZLPPQQ-NRFANRHFSA-N 433.662 4.830 30 10 IJEE C=CCN(CCc1ccccc1)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1657138495 ZAOKOMPXPNQEAK-QGZVFWFLSA-N 436.537 4.776 30 10 IJEE C#CC[C@H](NC(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1)c1ccccc1 1659769055 ZCNHMGJGNDTMAR-QFIPXVFZSA-N 428.488 4.938 30 10 IJEE N#Cc1cc(S(=O)(=O)NCC2(c3ccc(Cl)cc3)CCC2)ccc1C(F)(F)F 1661296285 GFJSSBVQYXDQGY-UHFFFAOYSA-N 428.863 4.631 30 10 IJEE C#CCOc1ccc(CNCCOc2c(Cl)cc(Br)cc2Cl)cc1 1662102717 XAPYKMASXSHBQJ-UHFFFAOYSA-N 429.141 4.937 30 10 IJEE CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1cc(F)cc(Br)c1 1663440882 HTFPPINQOHWDRE-OAHLLOKOSA-N 431.714 4.543 30 10 IJEE C#Cc1ccc(NC(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)c(Cl)c1 1673380560 BZCAPXVHFJMNTJ-MRXNPFEDSA-N 428.920 4.579 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1)c1ccc(Cl)cc1F 1674035529 BMHLHQBPJWCKDG-DENIHFKCSA-N 430.907 4.553 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1F 1684421574 BEOGUSROKMVUMG-BEFAXECRSA-N 439.840 4.750 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 1686762109 JBQLSGAPYPCACZ-LJQANCHMSA-N 432.486 4.886 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCCC1 1689827503 GHUGJGGTRCLMDV-IFMALSPDSA-N 437.632 4.757 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@@](C)(CC)O1 1689954060 JYSXCSQKIVSRFZ-NBGIEHNGSA-N 434.540 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCN1CCCC 1690209414 WPRNNVWIUKQEOR-XUZZJYLKSA-N 425.646 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nccn1C(F)F 1690257388 HNAHQOAZSLBOGC-UHFFFAOYSA-N 437.498 4.844 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C2CC2)N(C)C)CC1 1690398701 FDIXPHDFIRYRPB-HTAPYJJXSA-N 444.023 4.814 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690420811 SIUYCRIMBZZFIB-DNVJHFABSA-N 438.616 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1690426232 HLXXNXIHNNRCSJ-JOCHJYFZSA-N 431.584 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccsc2)CC1 1690428057 BXWBGLOPWOLZPC-UHFFFAOYSA-N 436.629 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1690435116 RNZJSIUHPRWQHU-REWPJTCUSA-N 431.584 4.833 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(c2nccs2)CC1 1690466109 XSOIXKHABWYDIT-UHFFFAOYSA-N 440.592 4.538 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690468095 RHAYNYJAPXHFPV-AQNXPRMDSA-N 429.609 4.641 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1Cc1cccnc1-n1cccn1 1690563570 WKWGEWDTMUKQKV-HXUWFJFHSA-N 427.556 4.613 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1CC1CC(C)(C)C1 1690569805 MTWLGOFEPDQONN-RUZDIDTESA-N 442.579 4.698 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@H]1CCCN1C1CCCCC1 1690571748 HXBXATDAJBACPH-JOCHJYFZSA-N 425.596 4.969 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCn2cc(C)nc21 1690588453 WMVBOASJPIELDD-QGZVFWFLSA-N 440.954 4.999 30 10 IJEE CCN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1695734416 DUCSWXMZQRIXFV-QHCPKHFHSA-N 425.602 4.641 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705524440 LUDMODKSTAMKLP-WMZOPIPTSA-N 432.490 4.842 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@@H]1C(C)C 1705611945 UAVFJZAYEXUPLY-NFBKMPQASA-N 433.556 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H](C)CC#N 1705710414 XWYXQBXLZQZNCJ-JQVVWYNYSA-N 425.602 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[S@](=O)C(C)(C)C 1705710496 MWENLSBMNGMLAQ-ZQHDKMAOSA-N 436.597 4.507 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCCN2CCC)CC1 1705763328 SVYVPCVCJLWJLY-LEWJYISDSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1705810380 WTAHEOAPJDOROR-HSALFYBXSA-N 447.624 4.616 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1705825159 LKFNJIFEHQGUKV-OFVILXPXSA-N 437.588 4.758 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1c(CC)noc1C)C1CC1 1705851589 LVGVLVUEVVJGHB-UHFFFAOYSA-N 429.471 4.608 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1OCCC1(C)C 1705857084 PCDQFOLXYUZRCA-HSZRJFAPSA-N 447.583 4.665 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)[C@@H]2C[C@H](OCC)C2(C)C)nnc1C(C)(C)C 1705914139 HIXLYPGWUPDEDU-RTWAWAEBSA-N 426.605 4.829 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1722341392 XFCGOMAGGGBLBA-UEVCKROQSA-N 438.616 4.773 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)[C@H](C)CC 1722345319 ORPMAZVKCIGUTA-BPAFIMBUSA-N 432.996 4.819 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1C[C@@H](C)O[C@H](C)C1 1722386712 ILAYTKAQMZJGAI-FGZHOGPDSA-N 448.611 4.565 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C(C)C 1722402328 LJHIAZWSGASGFM-ICSRJNTNSA-N 432.996 4.819 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](c1ccccc1)N(C)C 1722404979 IGRRZDDPTTZSLX-SIKLNZKXSA-N 447.652 4.894 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCN1CCCC[C@@H]1C 1722476469 XCWXOGVPWLYWCJ-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1722499228 HZZGAEZLCQDWOH-REGVOWLASA-N 430.637 4.803 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1722576889 QQWWOHUWSWRSLI-JOCHJYFZSA-N 436.629 4.887 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1CCc1ccc(Br)s1)C1CC1 1722650206 RUHOMJAEFFGIMX-UHFFFAOYSA-N 430.375 4.562 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1C 1722669558 WONPVXHHWVWVNF-VQTJNVASSA-N 446.599 4.680 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1ccccc1Cl 1722676799 LKUQWSJGEVHRKV-FQEVSTJZSA-N 440.975 4.896 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(COC(C)(C)C)c2)C1 1722710344 HHOAJHSQRXFUHB-UGKGYDQZSA-N 426.605 4.936 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@H]2C)C1 1722713648 GJDXBBNBRHAJBS-IMFGXOCKSA-N 445.405 4.925 30 10 IJEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCSC2)cc1C 1724417586 GBHMXOLXFBVLON-OAQYLSRUSA-N 439.629 4.747 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)C1 1729268982 DJELSBOMEWJQFL-ZJSXRUAMSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740543494 QDIQVUHVYVSTDC-LEDOBFOHSA-N 431.584 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1F 1740650412 ZLJAOHOXIVWWKH-SFHVURJKSA-N 432.568 4.782 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](OC)C(C)C)CC1 1740820514 HCSCHHLDWGDQRZ-SFHVURJKSA-N 437.357 4.674 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCCC2=O)CC1 1740860056 WSWBUMSLQKVUMV-UHFFFAOYSA-N 442.007 4.936 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1ccc(Cl)c(OC)c1 1740936175 KFWSLCHJDRSMNU-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE CCOc1cc(CCCn2c(C(C)C)nnc2N2CCC[C@@](C)(C#N)C2)ccc1OC 1746763901 HBTGDAKCISODJA-DEOSSOPVSA-N 425.577 4.572 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1cccc(C)c1 1748803405 UEWMIHZUWKSNLO-CTNGQTDRSA-N 437.588 4.532 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(CC)s1 1748855715 ILKHPOPVZJFNLT-UHFFFAOYSA-N 446.620 4.900 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCC1(COC)CCC1 1748945295 PPFUVUZZWFXKQN-UHFFFAOYSA-N 426.580 4.852 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)CC1CC(F)C1 1749119189 OPZKKMJFZRJICJ-JNCLAJFSSA-N 426.580 4.986 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2OCCC2(C)C)CC1 1749336119 ZHTMCLNHEXKUKK-LJQANCHMSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 1749343033 VROSHIFTWYECLO-UHFFFAOYSA-N 433.387 4.882 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2sccc2Br)CC1 1749343695 PKOBULSGOQCQLZ-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OC)C1 1749356989 FVKRLQKMRQTMTO-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1749404380 XGPGLJCSXVIKRJ-HXUWFJFHSA-N 435.576 4.511 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1749421999 VIRANTYWXMOAEA-KBXCAEBGSA-N 426.779 4.980 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(C)OCCc2sccc21 1749470790 CRXNUBGOVIPAJN-JOCHJYFZSA-N 446.523 4.718 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1sc(C)nc1C 1749502528 XBZCJMCGRJQEKS-UHFFFAOYSA-N 438.384 4.908 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](COCC)C1 1749745898 KWORDJLBJHTLCA-IBGZPJMESA-N 437.613 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1csc(C(C)C)n1 1760123391 FCTBBXIDEKOZDH-INIZCTEOSA-N 444.004 4.791 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1760130125 FKQDGDMDENIYQP-AQNXPRMDSA-N 442.629 4.951 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1Br 1760156361 DQHKSTAXUGYNBT-UHFFFAOYSA-N 429.387 4.743 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[S@](=O)C(C)(C)C 1760291370 MNQYSHKFSUCCJB-NJHZRGNWSA-N 440.657 4.782 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCC(F)(F)F 1760336233 WIPLMNZECXUFIZ-DNVCBOLYSA-N 433.478 4.796 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1760390969 WSOLKHAUZQYJNF-UHFFFAOYSA-N 446.523 4.745 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760423270 URDIQVKXFIFMQX-IRXDYDNUSA-N 433.394 4.986 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760426900 HRPFIAQDQXZOQY-IBGZPJMESA-N 440.485 4.912 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2cccs2)CC1 1760428751 GBIKVIZNGCPPJZ-UHFFFAOYSA-N 427.643 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)cc1F 1760486782 YVNOQTRURMOHNN-UHFFFAOYSA-N 442.951 4.774 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCCCC1 1762804191 CTUXTYOLGVLXII-UHFFFAOYSA-N 445.615 4.740 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)(C)C 1771397860 FNPWQNGGQFQOPB-FRQCXROJSA-N 429.659 4.925 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(F)cc1 1861115509 GNMKGCUDRDDULE-JYFCICGUSA-N 440.559 4.749 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)ccc1O 1862451010 VILRCTBPNLALNL-FQEVSTJZSA-N 429.900 4.679 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(N(C)C)cc1 1862459083 BKZLZJFVFUJOPI-HXUWFJFHSA-N 432.442 4.548 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862480190 ZYNOHXHRARZICW-WPSZSDGUSA-N 447.531 4.923 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1C(=O)O 1862504141 NEJNOGAGJVFKBN-HXUWFJFHSA-N 425.456 4.601 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 1862579877 AUQFLLRQJGEZHN-LJQANCHMSA-N 434.319 4.734 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 1862585322 UBMLCGQWTSVKEK-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862591541 IWKJHJJWADJIRR-WAIKUNEKSA-N 429.472 4.740 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2C)cc1F 1862639478 ZKYJWPCDJZEOIF-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862641884 CWWFCECVTDRQLK-LHSJRXKWSA-N 427.472 4.610 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)cc1 1862663318 RQHFBYRGRLMBEL-HSZRJFAPSA-N 437.536 4.909 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862682231 MSFZBQXZMPFHJP-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(F)cc3)C2=O)c1 1863403163 UBGBASGIMKFKSY-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N(C)CCO)nn1-c1ccc(Cl)c(Cl)c1 1870028492 NWOIMDLVMDJXHU-UHFFFAOYSA-N 442.391 4.692 30 10 IJEE CCCCCCCn1cnc2c(nnn2Cc2c(Cl)ccc(Cl)c2Cl)c1=O 1870102788 LWNBPNWDDUVRES-UHFFFAOYSA-N 428.751 4.967 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1ccccc1CC 1871156336 YEICWTFAACJKIT-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)c1 1871424346 GJIAAZGBJUOIRZ-YNJLWJOVSA-N 443.499 4.876 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871890440 IHUWXAWFFPTELL-QRWLVFNGSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccccc1 1872468367 CBMHPSHQENTMDI-QHCPKHFHSA-N 428.598 4.869 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccccc3OC)n2)cc1Cl 1872789745 TXBIFHXQYDWGAM-CQSZACIVSA-N 428.897 4.736 30 10 IJEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCc2ccccc2)C1=O 1873048160 QVOAHKFWSUSPAE-UHFFFAOYSA-N 434.580 4.968 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CC(=O)N(CCCC)[C@H]1c1cccc(OC)c1OC 1873891394 ARPCIRJZRJXCKZ-REWPJTCUSA-N 432.605 4.870 30 10 IJEE COc1cc(/C=N/n2c(CCCOc3ccc(C)cc3)nnc2SC)cc(Cl)c1O 1874250600 LVUSTEFJAFUSQA-YDZHTSKRSA-N 446.960 4.570 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874445751 KAKWORWQCDMNMQ-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(F)cc1 1874510127 HXBRDHMMKJKESE-ZMOGYAJESA-N 425.533 4.716 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874528810 BWMUOQDCBGAGAV-FOKLQQMPSA-N 434.924 4.825 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)OC)c1 1874587682 ZBMBRGPMACXMTR-VQHVLOKHSA-N 448.899 4.594 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC(=O)NC1CCCCC1 1874594698 YAPNWSLMPGPMES-YRNVUSSQSA-N 429.463 4.697 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OC 1874607474 PXULYPLWXYYUQX-SOFGYWHQSA-N 432.900 4.894 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCC(N)=O 1874627962 FVMIBIDMBMZNRG-XNTDXEJSSA-N 443.499 4.976 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OCCO 1874635291 KAHYQIXFWZLDEU-ONEGZZNKSA-N 431.699 4.931 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3OC)c2)c(OC)c1 1874698722 KTZNAAYLEOQNKC-SDNWHVSQSA-N 432.472 4.757 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1875088556 UKQUURBTDBONPE-ONNFQVAWSA-N 436.351 4.757 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)c1 1875103995 AMSGHAZEBZYDTB-ACCUITESSA-N 432.472 4.757 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1cccc(OC)c1 1875128686 PBONCYJSQBSRGN-WYMLVPIESA-N 432.472 4.974 30 10 IJEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(NCCCCCCCC)ncnc21 1875230051 MTGDTHXARKKYHQ-OALUTQOASA-N 427.593 4.639 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1ccccc1NC(=O)OC(C)(C)C 1922075261 VHMPYOXPEHBITL-GOTSBHOMSA-N 426.557 4.818 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)CC#N 1963190923 OGWGIEGJBLZZCY-MHECFPHRSA-N 447.579 4.996 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@](C)(C#N)C1 1984696021 VSFCKHHKRGVJLY-SHQCIBLASA-N 445.563 4.702 30 10 IJEE CC(C)c1nn(-c2cc(C(F)(F)F)cc(Br)n2)c(Br)c1C#N 2080276897 BITMBLYLUHNRKC-UHFFFAOYSA-N 438.045 4.806 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1F 2089287296 WKZWUADIAJFTKC-SJLPKXTDSA-N 427.358 4.936 30 10 IJEE Cc1cc(I)ccc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2094850274 WPLIIUGEMUNXKU-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE C=CCC1(NC(=O)c2cc(Cl)c(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2118148043 JSIKJZCMGPCUTD-UHFFFAOYSA-N 443.769 4.706 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1ccc(C#N)c(Br)c1F 2118150714 HMVXBGKMTBKDJR-DOMZBBRYSA-N 426.330 4.542 30 10 IJEE C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2118201650 SOXKSIKANAPSIC-CHWSQXEVSA-N 426.330 4.542 30 10 IJEE N#Cc1c(F)cc(Br)cc1NCc1cccc(I)c1 2119244085 HPPZLSPTNCLUFJ-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE N#Cc1cc(F)c(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1Br 2193226776 YZYVNYOUVVHZQP-KSSFIOAISA-N 442.254 4.935 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](COc2cc(Br)cnc2C#N)CC1 2198814346 CYYIDTZUGMCINY-XVDXERDNSA-N 442.329 4.518 30 10 IJEE N#Cc1ccc(Br)cc1NC(=O)Nc1ccc(I)cc1 2235462597 JJYBYUIUIAIGIM-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@@H](N)C#Cc2ccccc2Br)CC1 2235721826 JHFLMFHRDRESDC-LNLFQRSKSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@@H](O)C#Cc1ccccc1Br)C1CCCC1 2235729937 JRMUDUDMWOAIJP-MOPGFXCFSA-N 436.390 4.883 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C)NCCC 2250542079 DVXKJSRIQOFMAK-DHIUTWEWSA-N 432.605 4.544 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2255824416 HRAFGLRJBYXGJP-UHFFFAOYSA-N 429.316 4.562 30 10 IJEE COc1cc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)ccc1NC(=O)OC(C)(C)C 2266999898 QCNPSXXMPYRVGJ-UHFFFAOYSA-N 446.353 4.997 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2C(F)(F)F)OC1(C)C 2267015469 OZKAZYZPWLSNFW-UHFFFAOYSA-N 445.290 4.809 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(CC(=O)C#Cc1ccc(Br)cc1)C(F)F 2278791742 TVUDZZPDIGYEAV-IBGZPJMESA-N 430.289 4.556 30 10 IJEE CC(C)[C@H]1[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C(=O)OC(C)(C)C 2279442425 IJIKDGBAPUUYSA-WBVHZDCISA-N 436.350 4.541 30 10 IJEE CN(Cc1ccc([C@H](N)C#Cc2cccc(Br)c2)cc1)C(=O)OC(C)(C)C 2296217686 XIBDOCWXMJLOTA-HXUWFJFHSA-N 429.358 4.868 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1ccc(I)cc1 2296218090 ANKLKHWGVATTRT-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C#Cc1cccc(Br)c1 2296222502 SJTYPMHLVRXYDN-GCJKJVERSA-N 436.390 4.835 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2296227897 UEDBERXTNSXDSD-DENIHFKCSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC1(CNC(=O)OC(C)(C)C)CCC1 2296289155 OSUZJYWYXQLHOD-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2296298283 IOAWXKLTOMAKOJ-PWIZWCRZSA-N 435.406 4.672 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1OC 2297745767 BAMRLDRIKVNSNG-HSZRJFAPSA-N 429.472 4.639 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2306617144 JILPDEAAQTWHPB-DQEYMECFSA-N 428.573 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]1(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353572 IDWXTKWTSCJQCS-QHCPKHFHSA-N 430.354 4.505 30 10 IJEE COC(=O)c1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3)C4=O)C2)cc1 2322312523 SKMUMNXVVIJUCO-UHFFFAOYSA-N 441.483 4.750 30 10 IJEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCc1ccc([N+](=O)[O-])cc1 2322703706 QGVXIMRAPOIASW-UHFFFAOYSA-N 433.416 4.807 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OC(C)=O)c3)ccc2C1=O 2323896448 INWNZPBCWIVKHH-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(OC)c(OC)c1)C2=O 2324121653 GJYFDOZKFIFRJO-UHFFFAOYSA-N 425.525 4.956 30 10 IJEE Cc1cccc(CN2CCN(Cc3c(O)ccc4c3OC(=Cc3cccs3)C4=O)CC2)c1 2324194969 MMMOFJFVALCISX-UHFFFAOYSA-N 446.572 4.696 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324451208 OGKPJWCRLNBOHD-OAHLLOKOSA-N 433.435 4.857 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O[C@H](C)C(=O)OCCOC)c3C)C2=O)c2ccccc21 2325331936 YHNSBXRESZZLMH-QGZVFWFLSA-N 449.503 4.543 30 10 IJEE SC[C@@H](COCc1ccc(I)c(Br)c1)CC1CC1 2325380977 IKYWBGVUIPWPIL-GFCCVEGCSA-N 441.172 4.916 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)OCCOc4ccccc4)cc(C)c3C2=O)cc1 2325744805 JAXFFTVZXOZLKA-UHFFFAOYSA-N 444.483 4.921 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(C(=O)OC)cc1 2325815332 KYJITMVONSYZOA-QHCPKHFHSA-N 442.600 4.734 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2N=Cc2ccccc2C)c(C(C)(C)C)c1 2325906533 CIQWTHORYOFXDU-UHFFFAOYSA-N 438.597 4.738 30 10 IJEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)cc1O 2326147606 ZIELAXVQODUCOI-UHFFFAOYSA-N 446.960 4.923 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cccc(F)c1 2326797776 BFGMCVYDEVGCNL-UHFFFAOYSA-N 426.517 4.721 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc(OC)c1OC 2327175017 ATFLUYQWTUXPLS-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE CSc1nnc(CCc2cccs2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2329623075 MGXDEUWNFITOOJ-UHFFFAOYSA-N 448.573 4.948 30 10 IJEE COC(=O)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCc2ccccc2)cc1 2330849606 XMEAOCAMNPCFQF-UHFFFAOYSA-N 436.581 4.870 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCCCC)c(OC)c1 2330952355 XTNGZAIWESYPFS-IBGZPJMESA-N 430.574 4.868 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cnc(C)cn1 2331080204 PAIDUYHYNDSGER-UHFFFAOYSA-N 444.487 4.646 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2C)o1 2331132491 LBYCCZMEXSYQES-UHFFFAOYSA-N 438.431 4.550 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1F 2331456488 UAVJTESTORMDRI-FQEVSTJZSA-N 449.272 4.577 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2331611894 WRSZGQGBRVXVFV-UHFFFAOYSA-N 432.900 4.812 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1c(F)cccc1Cl 2331682828 FUWGAPUPZNBPFP-UHFFFAOYSA-N 449.914 4.946 30 10 IJEE CC[C@H](N[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511681 GORBVESLZRWAQZ-XLIONFOSSA-N 446.441 4.718 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339594280 RLSPJCCCYNQOGF-KQDNUWKFSA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H](Nc1cc(Br)c(C#N)cc1F)C2 2358592526 QRPRENXYVCHISL-XNJGSVPQSA-N 438.341 4.907 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 10240099 XZFMHPTUNHTPBZ-UHFFFAOYSA-N 436.581 4.850 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(OC)c2OC(C)C)cc1 21258094 XCALJELOJDTEEO-NQIIRXRSSA-N 449.547 4.885 30 10 IJEE COc1ccc([C@H]2CC(=O)c3cc(C#N)c(=O)n(-c4c(C)cc(C)cc4C)c3C2)cc1OC 32985469 ZHDRHKAXXHFFGT-LJQANCHMSA-N 442.515 4.564 30 10 IJEE C=CCC[C@@H](O)CN(CCC)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 36207783 UDLQBUNRYPOYTR-QGZVFWFLSA-N 431.989 4.844 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 41501614 YEVFJZOIXUTHSW-UUYOSTAYSA-N 445.427 4.885 30 10 IJEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C(=O)N1CCCCC1 59766510 SPEGVDSPYAASBU-GOSISDBHSA-N 430.335 4.908 30 10 IJEE CN(c1nc2ccccc2n1Cc1ccccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95074415 TWDJLFZQJGBQKO-NRFANRHFSA-N 445.567 4.792 30 10 IJEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)sc1C 102536066 TVGDWDDPHYHZSH-LYHOESIGSA-N 440.908 4.745 30 10 IJEE CCCCCCCCCOc1ccc(/C=N/Nc2nncc(=O)[nH]2)cc1Br 169898399 OCVAKUOSGSNLTA-FYJGNVAPSA-N 436.354 4.503 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1ccccc1OCc1ccc(C)cc1 169904810 BKRVGUQFOBGILH-ZVHZXABRSA-N 444.940 4.548 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169929049 KOCINRYIFYCFEG-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCOc1c(Cl)cc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)c(OCC)c1Cl 169936439 MTAHEVSPUNMJGL-INIZCTEOSA-N 429.369 4.659 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccn1)c1ccc(Cl)cc1 169998485 FDALNDCBLKXSQX-NRFANRHFSA-N 436.870 4.695 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)c1 170014942 WIIWGDDSFPQLKC-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccncc2)cc1 170020077 BGRRRRLYHCCKAK-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc2ccccc12 170045127 IGILZXXABDYFDG-QFQXNSOFSA-N 441.527 4.916 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170079706 WJYUKVIJNRSBTL-QFIPXVFZSA-N 446.409 4.935 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(O)cc2)c1 170132165 OOIMMQZWUDMTFP-GYCJOSAFSA-N 441.483 4.807 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)c(C)c1 170142328 DTGOEDITMDCRBH-XMMPIXPASA-N 438.483 4.967 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)ccc1Br 170203260 HZJPQYPPGXHZQI-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1C 170231281 IRYPYZKMMQAMQX-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 170250555 MHHJQXXMZRVLKU-JOCHJYFZSA-N 435.451 4.986 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1sccc1C 170316444 IKTBQJUHXLOHGI-SFHVURJKSA-N 427.453 4.576 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(OC)c2)c1 170329480 YVFYHEMPJIYMLP-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCCc1ccc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 170536837 LTIINYLFEQFARZ-UHFFFAOYSA-N 439.519 4.879 30 10 IJEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(F)cc2)S1 252589159 AHPUQHAFKQTLEB-OAQYLSRUSA-N 433.508 4.986 30 10 IJEE COc1ccc(C(C)=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC 252627575 RXFUNBUIOBCEFM-UHFFFAOYSA-N 427.548 4.815 30 10 IJEE COc1ccccc1NC(=O)CSc1nc2c(cc1C#N)C[C@H](c1ccccc1)CC2 261527089 ZBAXJMBSWXXPJT-GOSISDBHSA-N 429.545 4.965 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)cnn1C(C)C 407246424 XIEFWNROAWGCNY-JKSUJKDBSA-N 429.403 4.737 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cn1)NCCC 407589063 LMFSNGQXBZKVDQ-ROUUACIJSA-N 426.399 4.614 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nc2c(cc1C#N)CCCC2 484160726 LZGCZPZPEXZTPS-LLVKDONJSA-N 434.721 4.654 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCc1nc(O)c2oc3ccccc3c2n1 502841578 KZPBABYEPXCDSD-UHFFFAOYSA-N 429.505 4.742 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(OC)c5)[C@H](C)C4)[C@@H]3C[C@@H]12 504197495 QJALQDMFCVLXKM-UWFSUSOLSA-N 438.612 4.520 30 10 IJEE biogenic C=CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2ccsc2)C1 508809140 JWWFZTNCGABOAF-KRWDZBQOSA-N 431.359 4.533 30 10 IJEE COc1ccc([C@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526521615 MJOKMVNFQJTQEA-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OCC 539265315 HOOCAFCLDRKZKW-LSDHHAIUSA-N 427.570 4.584 30 10 IJEE C=CCn1c(SCc2nnc(C3CCC3)n2C)nc2scc(-c3ccccc3)c2c1=O 543959358 RMERIUBNSGLWOQ-UHFFFAOYSA-N 449.605 4.999 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccccc1F 551388238 CTXVDCVAYWVVHG-HNNXBMFYSA-N 448.527 4.780 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2nccs2)C1 555261167 NSMWQXVVRQIDEY-INIZCTEOSA-N 436.368 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 558778453 FTYQMIGXIVHLEI-YEJVISOKSA-N 432.008 4.534 30 10 IJEE C=CC[C@H](CO)NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 562902732 PNSDORJCNNHLGG-QGZVFWFLSA-N 427.888 4.633 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 576840083 DFTOYFRMZMTHAW-NLJOTIRTSA-N 444.579 4.851 30 10 IJEE CCCCCCCCC[S@](=O)CC(=O)Nc1nc(C)c(C(=O)OCC(C)C)s1 586345735 AJVIULQXFNLQAH-NDEPHWFRSA-N 430.636 4.702 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)[C@H]2CCCN(C(=O)[C@H](C)CC)C2)c1 726320716 XOABGUAOLRAIID-CTNGQTDRSA-N 449.547 4.673 30 10 IJEE N#CCOc1ccc(CN2CCN(Cc3ccc(OCC#N)cc3)C3(CCCCC3)C2)cc1 746480597 CEVFMGFKRFQXRV-UHFFFAOYSA-N 444.579 4.512 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1OC 749657574 YDAZUAQMCIGKPJ-UXHICEINSA-N 444.572 4.512 30 10 IJEE C#CCOc1cccc(-c2noc([C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)n2)c1 761784536 FHWFOINVJCLREG-MRXNPFEDSA-N 428.414 4.546 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)c1=S 765059395 DBIVUGSXRSDSBK-WFXMLNOXSA-N 444.048 4.684 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 780682370 URCYGCMYRRQAIK-WBVHZDCISA-N 435.459 4.578 30 10 IJEE N#Cc1cc(N(Cc2ccccc2)C[C@@H](O)c2cccs2)nc2ccc([N+](=O)[O-])cc12 785834045 FQYIGQQGDAOVBW-OAQYLSRUSA-N 430.489 4.816 30 10 IJEE CCC(=O)OCCCCSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1 1083984688 YYZXYBUYIBUOSZ-UHFFFAOYSA-N 439.541 4.869 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(C)cc2)n1 1084341013 UNVCSEBUYRMPOK-UHFFFAOYSA-N 438.582 4.568 30 10 IJEE C#CCOc1ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1 1127727261 GBMUDBJGSLOLNM-XMMPIXPASA-N 444.531 4.848 30 10 IJEE N#Cc1ccc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 1128344903 HQRQFOVAKRIRGT-UHFFFAOYSA-N 436.739 4.944 30 10 IJEE Cc1cc2nc(C)c(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)C)C4)c(C)n2n1 1129397179 FKVQVQBWYBNEAD-KRWDZBQOSA-N 435.597 4.920 30 10 IJEE C=CCn1cc(CNC(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)nn1 1130119745 ITRFYDHAFBSOJL-UHFFFAOYSA-N 433.364 4.993 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCC1 1137036652 BOIWCHRHDORPRS-UHFFFAOYSA-N 425.460 4.876 30 10 IJEE C#Cc1ccc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cc1 1141549396 HKRHDFFHAAETFK-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[nH]1 1148312744 BRQGNRRFFFLVAZ-UHFFFAOYSA-N 429.354 4.736 30 10 IJEE C=CCCC[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1152374293 LIEXHBUPARSPTH-YOEHRIQHSA-N 425.367 4.876 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CCC)CC[C@@H](C(C)(C)C)C3 1188037590 DEVQXZOVARTRPJ-LSDHHAIUSA-N 447.670 4.802 30 10 IJEE C=C(C)Cn1c(S[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 1188916228 XZQXURHMCGNZMP-QGZVFWFLSA-N 448.470 4.941 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc2c(c1)OC(F)(F)O2 1189012294 CPDIFGXAGDJZTE-UHFFFAOYSA-N 431.464 4.965 30 10 IJEE CC(C)(C)Oc1ccc(CCNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 1202434567 HUARLMLWTWACGO-UHFFFAOYSA-N 437.931 4.939 30 10 IJEE C=CCCC[C@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1 1221415331 FBOSVKZJCGTKBX-QFIPXVFZSA-N 436.552 4.860 30 10 IJEE C=CC[C@H](NC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccncc1 1222021330 FWIHOZRCMWYOHT-SANMLTNESA-N 442.563 4.810 30 10 IJEE C=CCC[C@H](NC(=O)NCC(=O)N1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 1226237614 VPCXJZPIKJGOKT-NRFANRHFSA-N 445.485 4.597 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1227792220 NAOGHNMPTVDHBB-IBGZPJMESA-N 449.473 4.883 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](C)Cc1c(OC)cc(OC)cc1OC)c1ccc(F)c(F)c1 1234556654 VLDDVGOYFBMIIL-FPTDNZKUSA-N 434.483 4.538 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(Br)cc1 1252459536 SDRZDCDBDKLHGQ-OAHLLOKOSA-N 428.113 4.635 30 10 IJEE Cc1ccc(-n2nc(C)c(Cc3nnc(COc4ccccc4C#N)o3)c2C)cc1Cl 1257697820 ARHWAGUZGLLBHP-UHFFFAOYSA-N 433.899 4.875 30 10 IJEE COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc2c1OCCO2 1264095726 AYHOGJDEKUFPHD-CQSZACIVSA-N 426.538 4.803 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)Cc2cc(OC)ccc2Br)cc1OC 1269215614 PSQJABHRUJLILE-YRNVUSSQSA-N 446.341 4.703 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCOc3ccc(Br)cc32)c1 1269379462 HJYWVOMBFIVJGQ-UHFFFAOYSA-N 449.304 4.939 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2ncoc2CCC(F)(F)F)n(-c2ccc(C#N)cc2)n1 1272259829 GGFBMXIUDDCEST-UHFFFAOYSA-N 431.418 4.777 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(OC)cc2OCCOC(C)C)C(F)(F)F)cc1 1272444518 TYXYKEDLPAENBV-NRFANRHFSA-N 436.426 4.941 30 10 IJEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)C1CCCCC1 1286322384 ANGWTJRXHBPFAP-UHFFFAOYSA-N 446.599 4.637 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOC)CCC1 1286437770 LXAVSIHNFKVPCX-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1286458392 SLXWOMOCAUYHSN-PMACEKPBSA-N 446.517 4.777 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCS[C@@H](C(C)C)C1 1286497134 NLJQGOAQVWJZAM-NHCUHLMSSA-N 428.671 4.764 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1286533921 MAYBSNHYIIHWCU-WMZOPIPTSA-N 446.349 4.921 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCC(C)C 1286555738 YPNIMBGCJAFRQN-REWPJTCUSA-N 434.588 4.799 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Cl)s1 1286560780 IWFIIUCSTJHJND-OXQOHEQNSA-N 444.004 4.981 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(CCC)CC1 1286604296 HVHWRYGUPOFVBV-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C=C)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1286681670 QMEFHPDKQWIIKR-ZEQKJWHPSA-N 436.600 4.693 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1286693201 VSXLTCDHNLXEHK-PKOBYXMFSA-N 426.561 4.706 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286695190 QGFFZFBESOVFNS-MOPGFXCFSA-N 431.378 4.822 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)Cc1csc(Br)c1 1286702550 SQAIYCXYQJCNCM-UHFFFAOYSA-N 432.391 4.691 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286705716 HEYHXTCQMZOPTI-VGOFRKELSA-N 449.020 4.574 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1Cc1ccncc1Cl 1286740842 XVDCSFAZSMRVTL-UHFFFAOYSA-N 434.931 4.571 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 1292929853 LMBQNXITJJBBPO-UHFFFAOYSA-N 438.936 4.707 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1OC 1299718944 USAFZDJMMLNHDS-YGGPNUISSA-N 449.938 4.824 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCCCC1 1300269988 ABORFZVAWDSLCN-RTBURBONSA-N 445.007 4.841 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC(F)(F)Br 1300643860 VHOVZGXDUCSWFF-ZDUSSCGKSA-N 429.284 4.558 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCC(C)CC1 1300650369 UMEDYTFNXKXLIS-NRFANRHFSA-N 439.623 4.766 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)c(OCC)c2)CC1 1301120304 NALAZZIYPAWZQP-UHFFFAOYSA-N 433.556 4.507 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCC(OC)CC2)CC1 1301127380 KQRIICBSZOOWRO-UHFFFAOYSA-N 430.543 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(c2ccncc2)CC1 1301280158 DSHSTEWMXWANFL-UHFFFAOYSA-N 440.954 4.671 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@@H]1C(=C)C 1301308258 CLGAKTFZTBRBTM-FOIQADDNSA-N 437.371 4.767 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1)C1CC1 1301329741 CYXPTZDDWYYYBF-UHFFFAOYSA-N 428.024 4.942 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1301420798 KFLIGDXQSOGNNR-WIYYLYMNSA-N 430.568 4.564 30 10 IJEE C#CC1(F)CN(C(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 1303141829 GWFKQXWYFXDCAS-UHFFFAOYSA-N 437.323 4.522 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1OC)c1ccccc1 1309810517 NRWCOQKYMDXMIW-QGZVFWFLSA-N 442.350 4.973 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1312936480 IRBKXLCURVHZFU-QGZVFWFLSA-N 441.247 4.864 30 10 IJEE CCSc1cc(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)ccn1 1314584768 GNTMVTQJJJOYBR-KRWDZBQOSA-N 443.580 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OCc3ccc(F)cc3)n2CC=C)C1 1325205372 QVMNJIODIURBIY-OAQYLSRUSA-N 434.515 4.631 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COC1CCCCC1)c1ccc2c(c1)OCCO2 1348530521 ZEKZCQCYYMMKEL-UHFFFAOYSA-N 437.536 4.905 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(F)c3cccnc23)c(C(=O)OCC)c1C 1353746802 TTXGVUQNVVQKAH-UHFFFAOYSA-N 442.468 4.516 30 10 IJEE COc1ccccc1C1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CCCC1 1356238147 GJZDHUSJDRJSLF-UHFFFAOYSA-N 430.504 4.981 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nc3ccccc3n2Cc2cccc(OC)c2)cc1 1358016887 FHZUHSXYEWSLAQ-UHFFFAOYSA-N 425.488 4.748 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@@H]1CCCCO1 1358896112 XLOBFHHBQZHQFF-CTNGQTDRSA-N 445.007 4.669 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@](C)(CC)C1 1358905675 IHIPXQPKNWQWBK-NRFANRHFSA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CCC(C)(C)C)CC1 1358908891 MQOVNHRDMJXXKL-UHFFFAOYSA-N 428.024 4.960 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1358909826 SZYFRSZHUQYGHP-OAQYLSRUSA-N 439.922 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)c1nc(C)cs1 1358988385 MOVHOFQMELNDFV-QGZVFWFLSA-N 429.549 4.723 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@H](CC)C1 1359051271 RFGHAZCAXPVNMW-JENIJYKNSA-N 444.670 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](C)c1ccccc1 1359065338 OPHXVUVCBLYLKV-BYXVTNLJSA-N 436.600 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(C)cc1OCCOCC 1359071172 GSFHFLRDRCGZRT-AREMUKBSSA-N 438.616 4.631 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)Cc1ccsc1 1359102811 GAFRTOFXLBUQSR-NFBKMPQASA-N 438.597 4.579 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1359177910 DTLAAIZBTNXZDR-OTWHNJEPSA-N 426.527 4.943 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1359179658 AHEDXPVLFDYDLW-HXUWFJFHSA-N 439.623 4.921 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359200339 BAFZFDYPJTVFEL-SFHVURJKSA-N 425.964 4.951 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1359202341 QGIKQGWIJQAXRE-UHFFFAOYSA-N 427.618 4.752 30 10 IJEE C=CCCCCn1c(N(C)[C@@H]2[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359206924 TUJGKCBJZAOFRU-RZIOSVHNSA-N 429.609 4.640 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359209194 FDADMQVPCVOHIE-LPHOPBHVSA-N 445.995 4.914 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359212561 PKNFUWLYNXMTIJ-RTBURBONSA-N 431.378 4.822 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC(CN2CCCCCC2)CC1 1359223937 APAMSCJBLKRQOU-UHFFFAOYSA-N 437.632 4.630 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(SC)c1)C1CC1 1359252592 XRDMZKDXIXPICG-UHFFFAOYSA-N 425.989 4.842 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 1435135445 WNNSVXBOZIWESL-SFHVURJKSA-N 433.390 4.705 30 10 IJEE C=CCc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc(OC)c1OC 1436155889 UGXVBEMZOROJLF-UHFFFAOYSA-N 433.892 4.996 30 10 IJEE CC1CCC(N2C[C@@H](C(=O)OCc3ccccc3Oc3ccccc3C#N)CC2=O)CC1 1436238705 HOGJTBLNGGSFRH-QUENFVSXSA-N 432.520 4.821 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1ccccc1)c1ccccc1 1443693572 WVLPEBBRFBSJMO-LEWJYISDSA-N 444.959 4.959 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c1 1446500588 XQHLCFWETZISJZ-HXUWFJFHSA-N 437.483 4.630 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1450658022 GZZQQTLLBLNJDM-JOCHJYFZSA-N 446.551 4.821 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1456726353 RXLXARIFQLJKJI-NRFANRHFSA-N 426.582 4.538 30 10 IJEE C#C[C@@H]1CCCCN1CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 1460913210 FBPQJERKZYGFCM-QGZVFWFLSA-N 430.957 4.671 30 10 IJEE C#C[C@H](NC(=O)NCc1cccnc1Oc1cccc(F)c1)c1ccc(Cl)cc1F 1467593362 UEJHIQUJFGVEKM-FQEVSTJZSA-N 427.838 4.979 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cc(Cl)cc(C(=O)N(C)C)c2OC)cc1OC 1474145537 OSNLJBDNJJBDBP-UHFFFAOYSA-N 439.339 4.889 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1 1475931391 VYJWKRCTAAUWIL-MRXNPFEDSA-N 427.220 4.886 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCC[C@@H]1C 1496748749 AKXUYMXXQAWBEJ-RXVVDRJESA-N 448.615 4.673 30 10 IJEE COCCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1504740705 CCKHOUJYDFVEES-UHFFFAOYSA-N 435.494 4.658 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCSCC(C)C 1507609821 GKNGTYBEHHLUJV-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1ncc(CC)s1 1507679462 NEFAWWQDMCBHRA-INIZCTEOSA-N 444.004 4.793 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCc1nc(C)cs1 1507682840 WURSXJVYCHJDNH-UHFFFAOYSA-N 431.968 4.985 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1507775666 SZXNYTMREGWHKK-FXAWDEMLSA-N 447.421 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@@H](C)C1 1507794313 HJWFHTYEESPPFH-XQFWAAQXSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(CCC(F)(F)F)CC1CC1 1507794964 GRRWODOSSUKSEK-HKUYNNGSSA-N 438.494 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](OCC)C1 1507803799 HBTYZUBCNWHTCV-QPXUXIHVSA-N 438.616 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)CCSC 1507806821 TVHFHHUARSARBS-KPLVRAHFSA-N 432.609 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)CC1 1507914857 PUDQFEAOUYNYAS-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1507939598 RLQXPFBDSOFLJJ-QHCPKHFHSA-N 444.627 4.721 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1507940915 HLQKVHPBEGFSHC-AZUAARDMSA-N 429.996 4.540 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507942813 XHHPAMYBXBGBNG-IBGZPJMESA-N 448.571 4.563 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507949769 KTTXWXPPJAUIFO-IBGZPJMESA-N 445.995 4.592 30 10 IJEE CC#CCCCC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I 1520195117 LHALJINGHQUFSW-FQEVSTJZSA-N 435.280 4.830 30 10 IJEE C=CCOc1ccc(COC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1521577898 GWQCHOXYJMPPIP-UWJYYQICSA-N 434.319 4.821 30 10 IJEE CC(C)OC[C@@H](OC(=O)COc1cccc(Br)c1C#N)c1cccc(F)c1 1523544587 FCMLXCRAGIZTMV-LJQANCHMSA-N 436.277 4.548 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 1528955933 MWWCDMWPSUXAEZ-UHFFFAOYSA-N 429.398 4.988 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc(I)c1C 1529304909 GIUVAUNGNWXJBN-UHFFFAOYSA-N 442.297 4.716 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)c(C#N)cn1CC 1529321772 GBCUEYABVPZRQE-SFHVURJKSA-N 445.519 4.553 30 10 IJEE CCOC(=O)c1nc2ccccc2cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 1529455212 CNOCLDKGUBNFNU-UHFFFAOYSA-N 441.443 4.707 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)CCCN1C(=O)OC(C)(C)C 1531113155 IAIWDYAPXLUQGM-QFIPXVFZSA-N 447.557 4.598 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cnn(-c2ccc(Br)cc2)c1C 1534731166 IISIMZDGADWGSG-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 1535745913 ZIUBXKAIPQAZAP-QFIPXVFZSA-N 438.369 4.672 30 10 IJEE Cc1c(C(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)sc2ccc(C#N)cc12 1539409751 APIAPURNRAFTEF-ZBQZNYHESA-N 427.570 4.845 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)C2CCCCC2)CC1 1539856296 XLHYLLSENLPDLW-SANMLTNESA-N 438.616 4.962 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1539985571 LGUXGQFVKAWKQN-IBGZPJMESA-N 435.572 4.646 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCO[C@@H]1CCCC[C@@H]1C)C1CC1 1540099445 ZJJSDWFWCLXXLT-HNAYVOBHSA-N 448.409 4.786 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccs1 1540127192 CFYZYXIBNRZBPU-NRFANRHFSA-N 447.608 4.886 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCSC1 1540184965 JATHGXSOSLFAIO-FQEVSTJZSA-N 433.581 4.788 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2Br)C1 1540890685 ILHNFEPMGRIQMP-SFHVURJKSA-N 431.378 4.528 30 10 IJEE C=CCCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1544262606 ALAINKFJPKWAQR-KRWDZBQOSA-N 439.369 4.693 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1544401385 DOCIZOWAWQAPQU-HSZRJFAPSA-N 433.552 4.599 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cc(Br)cc(Br)c1N 1544803582 SHYQAGKVLNMXAX-UHFFFAOYSA-N 438.163 4.665 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CCOC)CCCC1 1545740653 BMHFNCUKGZPSNB-PXDATVDWSA-N 439.579 4.859 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCC1)[C@@H]1CC[C@@H](C)C1 1555531414 ALQHCYBCFTZLEL-WIYYLYMNSA-N 439.629 4.744 30 10 IJEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CCCCC1 1556622401 VWUFEYOSYAWZKI-UHFFFAOYSA-N 428.554 4.505 30 10 IJEE CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(CC)CC 1559618310 ABOGYYIHJJOMKD-YADHBBJMSA-N 428.621 4.946 30 10 IJEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CC1(C)CCCCC1 1561261161 XWCHAXYLZZNNIX-GOSISDBHSA-N 440.403 4.508 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 1564191182 HQLSPVIOPNOYGG-XMMPIXPASA-N 432.907 4.681 30 10 IJEE C#CCN(C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1564772728 OJUDRHLSKBGFFZ-FYYLOGMGSA-N 439.600 4.889 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1F 1564999629 IVEBPXFFAPGUEY-SZNDQCEHSA-N 435.877 4.520 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCCCN2Cc2cccc(F)c2)n1 1566826330 FUAFUOMJBOKQTO-OAQYLSRUSA-N 437.906 4.530 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](CC)N1CCCC1 1587586127 JYZAURCPZKTJPR-UYAOXDASSA-N 425.646 4.608 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1587783296 NTSHUZXZUHOUTK-XMMPIXPASA-N 446.599 4.683 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(OC)CCC(C)CC1 1588020341 KRQGPHAMLZFVCW-UHFFFAOYSA-N 433.021 4.889 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)(C)C 1588082882 BDEUOHCBTYSNIP-IBGZPJMESA-N 442.991 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCCC[C@H]1C 1588276501 NTDARHJBKZMBKV-OAQYLSRUSA-N 430.600 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)CC 1589505429 MFBNJVFTSQODIU-UGKGYDQZSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1589506536 XNBUDNDLVCLKMS-UZLBHIALSA-N 446.382 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(CN2CCCCCC2)CC1 1589544211 GAWVQUGRZYNVBG-NOZRDPDXSA-N 443.680 4.550 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC)cc1 1589556907 FNWSNTYZPRBZSQ-REWPJTCUSA-N 438.597 4.557 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1594083766 WLGWGQDGFCURNJ-UHFFFAOYSA-N 431.588 4.525 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2cccs2)N(C)C)CC1 1594102534 QPSHDTMHRODDCI-FQEVSTJZSA-N 443.567 4.668 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1594581995 JUUDGJGBFPMQRL-SFHVURJKSA-N 429.977 4.989 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC1)C1CC1 1595021288 WSQNESIBDVHPGW-ROUUACIJSA-N 430.980 4.880 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C)CCCC1)C1CC1 1595033181 DDAXAYALXXUBPB-UHFFFAOYSA-N 426.561 4.706 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CCc1cnc2c(Cl)cnn2c1 1595109317 WTCFJLMCGMMLKV-GOSISDBHSA-N 449.990 4.923 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1595196412 RPMQBTRLXJAFIT-GOSISDBHSA-N 443.567 4.766 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)s1 1595872965 RSPLWSROQCMDEQ-NSHDSACASA-N 436.002 4.947 30 10 IJEE C=C[C@H](CC(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1596042907 AUBIFDOZDQSBLF-GGAORHGYSA-N 442.600 4.611 30 10 IJEE N#Cc1cccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1Br 1598029503 GPXNFQFFMNMCQN-UHFFFAOYSA-N 437.175 4.642 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc(Cl)ccc1OC(F)F 1618569804 RAODMSBMFVNEFQ-UHFFFAOYSA-N 433.842 4.622 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(C)n(-c2ccccc2Br)n1)c1ccccc1 1618597960 RRJIFQQDEDVFJJ-HHHXNRCGSA-N 444.354 4.797 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(CN3CCCC3=O)c2)cc1OC 1620731304 YVUIZGCJTVJYSZ-UHFFFAOYSA-N 445.357 4.757 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc12)c1ccc(F)c(F)c1 1622047328 QIGBNGLIHGOCHW-SFHVURJKSA-N 441.297 4.804 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Br)cc1 1622180034 HGKNQYRJATWVLN-QFIPXVFZSA-N 438.346 4.673 30 10 IJEE COc1ccc2c(c1)OC[C@@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2 1622944815 DIBAHTIRDNVIED-IBGZPJMESA-N 429.476 4.793 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 1626157647 FXOGTHJPFYJDFM-SFHVURJKSA-N 427.570 4.596 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 1627264586 NPBRYBQTOBLVJN-UHFFFAOYSA-N 434.577 4.542 30 10 IJEE C[C@@H](NC(=O)NCC(=O)Nc1ccc(Cl)cc1)c1ccc(-c2cccc(C#N)c2)cc1 1630192246 CWRVHJDMYXSKSR-MRXNPFEDSA-N 432.911 4.878 30 10 IJEE C=C[C@@H](C)ONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1631874605 YKGHTWXZGDDPMK-CYBMUJFWSA-N 449.363 4.956 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CCCC1 1632774561 DXDFRADLBATKIP-UHFFFAOYSA-N 434.583 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 1634215952 ONCZQKURKGBFDC-DYESRHJHSA-N 429.904 4.571 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)c1 1637924308 DEKYAKPUYNLUCC-WIYYLYMNSA-N 429.969 4.593 30 10 IJEE C=CCn1c(SCc2csc(Cc3ccccn3)n2)nnc1-c1cccc(OC)c1 1643757774 RWGOXUZEDNPPQF-UHFFFAOYSA-N 435.578 4.874 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1ccc(Br)cc1F 1644062228 JKFIFIFCSNJOML-AWEZNQCLSA-N 425.367 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(CC)CC1 1649541470 FIDFIAHDYNWISZ-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCOc1c(Cl)cc(CNC2CCC(Oc3ncccc3C#N)CC2)cc1OC 1650973434 RZAPTDHXXQZGJH-UHFFFAOYSA-N 427.932 4.660 30 10 IJEE C=CCn1c(SCc2cc(Br)cnc2OC)nnc1-c1ccc(F)cc1 1656065774 ZEIPGTSSUXWUBZ-UHFFFAOYSA-N 435.322 4.729 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 1656110504 AETRLGGGVBTFRX-JOCHJYFZSA-N 433.935 4.969 30 10 IJEE Cc1c(C#N)c(SC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)nc2c1CCC2 1656127130 GEDPEKTVJXNACM-QGZVFWFLSA-N 443.613 4.649 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(-c2nnc3n2CCCC3)cc1 1657498128 CBLNJUFLABGVIS-UHFFFAOYSA-N 437.341 4.668 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc(OC)c1OC 1659833870 PPZINYVQJLPJBW-UHFFFAOYSA-N 449.878 4.583 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(c2ccc(C#N)cc2)CC1 1660381400 FBEAGQUPUYLYSF-KRWDZBQOSA-N 432.593 4.967 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1 1662096779 CGFOZGNKPGCNQC-KRWDZBQOSA-N 436.480 4.901 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(-c2ccccc2Cl)c1)c1ccc(Br)cc1 1667424854 FSELQMUCACKALQ-KRWDZBQOSA-N 429.705 4.784 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCSCC2)c(C)c1)c1ccc(Br)cc1 1668652511 BNIBZABCZWAMQP-IBGZPJMESA-N 444.398 4.807 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 1674202330 IFSADHWFNSGNCN-HDICACEKSA-N 445.485 4.986 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)c1ccc(Br)cc1 1677692077 SGXYNOGVBRPGAG-FCHUYYIVSA-N 440.385 4.650 30 10 IJEE C=CC[C@H](NC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccncc1 1679333344 FNVYOOVEUBCACZ-AVGNSLFASA-N 443.338 4.511 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)c1ccc(F)c(F)c1 1680280791 QJLWCXUGVUMQQA-DENIHFKCSA-N 427.495 4.576 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 1680615471 BYCHJNTWCRPDAS-XUTJKUGGSA-N 442.485 4.745 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)c3ccc(NC(=O)c4ccncc4)cc3)cc2n1 1680698646 URRCGHRABRZGMM-QGZVFWFLSA-N 440.507 4.752 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)cc1 1682742513 LBJSAALGSBNZGO-FQEVSTJZSA-N 443.341 4.516 30 10 IJEE C#CCN(C(=O)NCC[C@]1(C)C[C@]1(F)Cl)[C@@H]1CCOc2ccc(Br)cc21 1683566460 YGPINGHRHLHJFT-ATZDWAIDSA-N 443.744 4.622 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 1683979999 TUOGFVSIBRUZAT-TUNNFDKTSA-N 437.588 4.568 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(F)F 1689827583 HFDKMULZIIPVEP-CVEARBPZSA-N 440.922 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)c1nc(C)cs1 1690259320 FKDVAYIHNXEGOL-MRXNPFEDSA-N 441.601 4.933 30 10 IJEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[C@@H](OC)C(CC)CC)CC1 1690379251 NDQQOKYOZMAUQN-JOCHJYFZSA-N 436.604 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC2CC2)CC1 1690437810 PTLRXRJJWKWRCR-UHFFFAOYSA-N 437.632 4.608 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2ccco2)C1 1690475186 IKUPTMGQXQBBLD-OAHLLOKOSA-N 449.374 4.906 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1690518754 UBYLIHQFBLZVCT-KRWDZBQOSA-N 425.533 4.617 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC1(c2ccccc2C)CCOCC1 1690591254 LHJWQVXYIGMLAF-UHFFFAOYSA-N 443.595 4.884 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)Cc2cccs2)C1 1690694357 NBVALAIENDLEEE-MOPGFXCFSA-N 438.597 4.675 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)CCCO2)cc1 1692373830 HTUGJZRPGYHTEH-VWLOTQADSA-N 437.588 4.679 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCOC1 1692909689 AKLPJLYTVFNUKV-WMZOPIPTSA-N 436.585 4.542 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(c2nccs2)CC1 1705655731 JUISZMOFUGMGGL-UHFFFAOYSA-N 444.029 4.805 30 10 IJEE C=C(Cn1c(CC2CC2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1)c1ccccc1 1705743697 GHZZUUOBSQQJSF-HXUWFJFHSA-N 447.549 4.655 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1705826113 OIHHVZQFXNBLRZ-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](c1ccco1)N(C)C 1722282860 RUMWOUTUKZDXNE-HKUYNNGSSA-N 437.613 4.629 30 10 IJEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1722329265 DCISICYTBGEKJT-UHFFFAOYSA-N 444.486 4.952 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H](OC)C(C)(C)C 1722469012 RVEWFQOSYPXZJN-XMSQKQJNSA-N 445.405 4.761 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCCCCC1 1722502563 TXYORWMFMLSUQJ-GXRSIYKFSA-N 430.637 4.948 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(OC)CCCCC2)CC1 1722560798 JFXFOUIOLBLCMI-UHFFFAOYSA-N 434.382 4.541 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCN2CCCC)CC1 1722577014 ZKGMYIZSWNTKLP-DEOSSOPVSA-N 432.616 4.874 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2cccc(C)n2)CC1 1722579981 WZKDKHRPSLZNEX-UHFFFAOYSA-N 431.584 4.822 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(CCc2cccs2)CC1 1722588240 NUZMUGBWQDDCBS-UHFFFAOYSA-N 429.678 4.895 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C)c1ccccc1 1722597430 SMLJOOLNABTLNX-SFTDATJTSA-N 433.604 4.697 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCCCCC2)CC1 1722604059 SYJNPGASLLUNRD-HSZRJFAPSA-N 429.653 4.621 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CSCCS1)C1CC1 1722645852 CBYQYUJHAGANHB-MRXNPFEDSA-N 437.034 4.611 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CC)s1 1722657134 SGMRXHATZLIJLF-OAQYLSRUSA-N 447.608 4.909 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)nc1 1722660292 RJHGKOQCMIHSTM-UHFFFAOYSA-N 448.590 4.852 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](CC)C1 1722733269 YRIMEMWYZDSRRU-QFBILLFUSA-N 436.622 4.808 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(Cc1c(F)cccc1F)C1CC1 1722735569 MZZHALJNVMRANS-UHFFFAOYSA-N 429.540 4.650 30 10 IJEE Cc1cccc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H](C)C#N)n1 1724527539 BHRYBFYBJBAXNO-IBGZPJMESA-N 446.599 4.697 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740664951 KAWNLMKNPMLNID-BCDXTJNWSA-N 445.405 4.679 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC(CC)(CC)SC 1740728180 PTWXABCVUZFSIW-HSZRJFAPSA-N 442.629 4.876 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CSC 1740761641 XSVMTYSHASCBEX-UZKOGDIHSA-N 447.048 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2csc([C@H](C)OC)n2)CC1 1740819275 KRSJULDSNRMDFB-HNNXBMFYSA-N 429.977 4.967 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740848595 MNCDCUJNBZEEEW-LJQANCHMSA-N 444.649 4.522 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)cn1 1740855670 KSQLKGDFABNDCS-UHFFFAOYSA-N 447.356 4.801 30 10 IJEE C=CCCCCn1c(N2CCC[C@H]2c2cccc(F)c2)nnc1[C@]1(OCC)CCOC1 1740866319 ADBLJEZHDTZQPR-URXFXBBRSA-N 428.552 4.767 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCCC(F)(F)F 1740914962 OVZYIZTWZHSBQL-UHFFFAOYSA-N 426.446 4.747 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@](C)(O)c1ccc(F)cc1 1740923694 RXPPPJXMAPAYLX-QHCPKHFHSA-N 428.577 4.778 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)C(C)C 1740926731 JXZORUPMIXAIQH-VXNXHJTFSA-N 444.627 4.608 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(C)nn1C 1740936039 FQKSOKRNIBBAOK-UHFFFAOYSA-N 436.947 4.517 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CC2CCN(Cc3cccs3)CC2)C1 1740972253 FURXVDGMAUPDHY-CTNGQTDRSA-N 443.661 4.547 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(C)(C)C)CC1 1740998716 SLGNQADVNDGOME-UHFFFAOYSA-N 425.602 4.531 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCOC[C@@H]2C)c1 1742150660 AFMBCJKZQFQDNT-PWRODBHTSA-N 439.604 4.700 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 1748714701 KTLKOJHIGNWTJT-FQEVSTJZSA-N 429.609 4.577 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1748721060 CBWIHOCIMINUKQ-HXUWFJFHSA-N 440.035 4.636 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1748731281 ZDSKNHNMULKXBG-KAOXLYBCSA-N 442.648 4.643 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1749046751 FJFHSEIIZZGWBT-QGZVFWFLSA-N 433.021 4.749 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1749101418 BNOKOEREVDLQFJ-IBGZPJMESA-N 431.378 4.595 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1749521898 VWVPDTPLQXULTL-PMACEKPBSA-N 425.596 4.531 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Br)n1CCOCC 1749548467 DYQOISSDGKQHLE-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1ncc(CC)s1 1749565404 LOFFCYRTTKYCCX-UHFFFAOYSA-N 444.402 4.953 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1749646722 YCQMVEPUWQGJPT-YLJYHZDGSA-N 445.007 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCC(C)(C)COC 1760106791 HBBBNODLPLSKHH-INIZCTEOSA-N 433.394 4.618 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760148757 LKPXWUXSBLJPDU-UHFFFAOYSA-N 434.975 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(C)CCOCC1 1760223441 FNQVAJALSGPJNF-UHFFFAOYSA-N 448.611 4.569 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)[C@@H](C)CC 1760227290 AUHCDFSOSGFYHR-SIBVEZHUSA-N 433.600 4.609 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN(C)c1ccccc1 1760239105 WOTTVYRMBBNIHX-DHIUTWEWSA-N 437.632 4.573 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC1CCC(F)(F)CC1 1760241071 NTOSZHJPAFAPRD-UHFFFAOYSA-N 439.485 4.945 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1CCC=C(C)C1 1760313653 CREQBSBWKFJJIT-UHFFFAOYSA-N 435.391 4.644 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C)o1 1760317388 FKDWYTGBIQSSPH-PXNSSMCTSA-N 427.936 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)C1CCC1 1760317735 JXINUXIDWYSUOT-WMZHIEFXSA-N 440.588 4.711 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(F)c(F)c2F)CC1 1760385375 SSKZRQAFCNPVPZ-UHFFFAOYSA-N 433.865 4.810 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[C@@H](OC)C(CC)CC)CC1 1760399401 KZLJOQUIIKYCKX-OAQYLSRUSA-N 440.588 4.918 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760423449 ZYOPORIODUBJHI-UHFFFAOYSA-N 444.583 4.787 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760446569 WBHLUMQKODVZJJ-GGAORHGYSA-N 438.616 4.841 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)N(C)C 1760480667 BCYJLYGUMAEJSB-QFIPXVFZSA-N 444.608 4.897 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCCC[C@@H]2C)C1 1760540235 DNVBMJJXQFGYRI-LEWJYISDSA-N 441.595 4.520 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(SC)CCC2)C1 1760548047 XNXOWEJFYPTGKU-IBGZPJMESA-N 444.670 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCCc1nc(C)cs1 1772523189 YDSYEHIAPNOXKX-XMMPIXPASA-N 435.597 4.734 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2ccc3oc(-c4ccccc4Cl)nc3c2)c1C#N 1859741955 JLQBXBHPVCRHLZ-UHFFFAOYSA-N 435.823 4.960 30 10 IJEE CC(C)(C)OC(=O)N1CC/C(=N/OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1860468293 VRYDTQJEXJYQNJ-MXAYSNPKSA-N 440.340 4.878 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(F)cc2)cc1 1862391184 VDVLGFNPDQWSGO-HSZRJFAPSA-N 439.527 4.909 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1F)c1ccc(F)cc1F 1862411172 AZXAXYORHMCBEG-FQEVSTJZSA-N 443.446 4.986 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862474877 XQMRYDGDOPVZGB-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1OCC 1862552164 AZVYZPSLMHZYDX-DEOSSOPVSA-N 449.547 4.961 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862672748 GFFYUGZOLAFWQD-JOCHJYFZSA-N 435.426 4.622 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCO)cc1 1862716862 PXPGFLOPZKMELD-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862728564 FLRZZYSTYGLKIM-DEOSSOPVSA-N 441.483 4.723 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccccc2F)C1=O 1863644536 JUJJRAINMIYESS-LJQANCHMSA-N 430.564 4.815 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccccc1C 1865003289 SMHZUYLUCJYRKJ-OAQYLSRUSA-N 442.563 4.511 30 10 IJEE N#Cc1ccc(C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cn1 1866038327 UGEMCSSYPCBUET-UHFFFAOYSA-N 445.280 4.655 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@@H]1c1ccc(OC)cc1 1868119932 ZEBWXCQGDRRZIH-MHZLTWQESA-N 429.516 4.813 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3ccccc3Cl)n2)C1 1870018271 BFBMTPGZTUTAPH-IYBDPMFKSA-N 434.931 4.527 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871370061 OLEDZYJNICJDQQ-XKZIYDEJSA-N 445.427 4.812 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871432826 HPFBMFUIAGLWID-RXWSAZGZSA-N 425.437 4.630 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871449271 VJGZBDNQNWHPSY-SGMWPGOQSA-N 442.471 4.667 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1)S(=O)(=O)C1CC1 1871802057 VRXBKWPRCWHIQT-OAQYLSRUSA-N 432.973 4.699 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871861184 YGMXMNAEHGVXTE-JOCHJYFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872353319 MDZVEDRMQKLQIY-ZDUSSCGKSA-N 446.878 4.563 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872530385 XHXDLSYQSKCRDA-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872775726 YKJCSESNHFZPRP-ZDUSSCGKSA-N 427.825 4.590 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NC[C@@H]3CCCO3)ncnc21 1873612063 FFTDDWJOGHEUBT-AWEZNQCLSA-N 446.338 4.767 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874236737 XDWXQIGLPHCSAC-HYARGMPZSA-N 441.513 4.548 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874376786 OLLLPAABHFKHHW-WSDLNYQXSA-N 433.896 4.954 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccco1 1874393256 HYQRDKSQAUDOEI-BFTFCADCSA-N 445.548 4.944 30 10 IJEE COc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)c1 1874408635 HKLLQOSJMQMANH-ZVHZXABRSA-N 444.601 4.583 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)OCCC)cc1 1874492034 VNEJOCIAZABVOZ-LFVJCYFKSA-N 446.617 4.973 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2F)o1 1874493189 ZQPFRFUHHLJFHY-BHGWPJFGSA-N 446.479 4.768 30 10 IJEE CCCOc1c(OC)cc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1OC 1874562107 CAQLBQFRJKNBTC-WSDLNYQXSA-N 432.933 4.575 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c1 1874620799 TVGISTJEWKLTDW-WEVVVXLNSA-N 443.499 4.988 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(N)=O)c(Br)c1 1874624541 IQMOXFFNUUGBPA-VMPITWQZSA-N 446.341 4.515 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(C)c3Br)ccc21 1890478482 RZHJJIOUFWJOOK-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983972469 WHTAEVBBZJATPU-OTWHNJEPSA-N 429.479 4.698 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 1997658446 DBCBJQVXIKFKNO-YADHBBJMSA-N 432.605 4.542 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3cscc3OCc3ccccc3)C2)OC1(C)C 2004770448 ZOCDBJCDJTYWBW-UHFFFAOYSA-N 425.359 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CCN(CCCB2OC(C)(C)C(C)(C)O2)[C@@H](c2ccccc2)C1 2044527270 CGTSUICTRZMDCM-HXUWFJFHSA-N 430.398 4.763 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C12CCC2 2068972413 ZNAKQLIBCOTDFN-DEOSSOPVSA-N 443.544 4.872 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)C12CCCCC2 2072200134 XJKRIKNZHHETGX-UUOWRZLLSA-N 449.592 4.618 30 10 IJEE C#CC[C@H](C[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2076106917 MOYFOHYRLOSOIC-UBFVSLLYSA-N 441.660 4.820 30 10 IJEE CCc1ccc([C@@H](n2nc(CC)c(/C=N/O)c2I)C2(C)CC2)cc1 2079051004 XCGCWEZVWQCKPK-KKJJZKEWSA-N 437.325 4.810 30 10 IJEE CC(C)Oc1ccc([C@H](C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2080060030 FKDRXDGUCSFDBO-JTQLQIEISA-N 449.214 4.775 30 10 IJEE N#Cc1cnc2c(-c3ccccc3I)c(C3CCC3)nn2c1Cl 2081443034 QPHWATWEBPSOGW-UHFFFAOYSA-N 434.668 4.793 30 10 IJEE C[C@H]1C[C@@H](C)N(c2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2118157451 WPFMXYSWFXGNRH-OLZOCXBDSA-N 426.330 4.684 30 10 IJEE C[C@@H](c1cscc1Br)N(C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2130027180 QCULULQSIXZKRP-WFASDCNBSA-N 444.395 4.617 30 10 IJEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1cc(Br)cc(F)c1C#N 2174813302 UMRHKGLKESRLEX-MLGOLLRUSA-N 440.357 4.978 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181134745 KAHCRHKFKIUUCL-DYVFJYSZSA-N 436.350 4.685 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)c(C)s2)CCN(C(=O)OC(C)(C)C)CC1 2226089830 SRLVEYZNFCFJDB-UHFFFAOYSA-N 443.407 4.895 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@]1(C)NC(=O)OC(C)(C)C 2235725291 JEWQHQUMFAAIIQ-JUXOCIIHSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 2241829795 FQNOAYHEWWOTFW-QRQCMCJISA-N 427.545 4.573 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](N)C#Cc1ccc(Br)cc1 2242587468 NOPXXWIRFHNORO-HXUWFJFHSA-N 429.358 4.565 30 10 IJEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)CC(F)F)c2Cl)OC1(C)C 2243428622 ONMWBSVJOUKHSZ-UHFFFAOYSA-N 441.736 4.608 30 10 IJEE C=CCCCOC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 2243942884 WLGVLQUYJHRTOB-UHFFFAOYSA-N 431.270 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2258199014 KCRIMSLBERBLHZ-XMMPIXPASA-N 437.584 4.517 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCCC[C@@H]1CNC(=O)OC(C)(C)C 2262199521 IZHXKYCVQBHZAT-BWKNWUBXSA-N 447.572 4.704 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2289683112 AVKAPZXRVZDZTC-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(OC)cc1Br 2292206963 XEQATFMJXTXTHY-NRFANRHFSA-N 435.314 4.763 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2296216728 NCJHYCCPNPHKAJ-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CC[C@](NC(=O)OC(C)(C)C)([C@H](C#Cc1cccc(Br)c1)NC)C(F)(F)F 2296219521 PEFPKJVVHNKFHI-YJBOKZPZSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@H](N)C#Cc2ccc(Br)cc2)C12CCC2 2296311141 SQYGLSJUORXUCQ-BHIYHBOVSA-N 433.390 4.602 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccccc2OC)SC1=S 2297347222 DOFPKYRAJMKNTH-UHFFFAOYSA-N 441.574 4.930 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Sc2cccc(Br)c2)OC1(C)C 2317218758 OXXARIKSQLPUGT-UHFFFAOYSA-N 426.572 4.948 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1ccccc1OC(C)C 2321088494 WFNDGUWRGOQSNN-UHFFFAOYSA-N 437.569 4.549 30 10 IJEE CC(C)[C@H]1C[C@](O)(C#Cc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321362878 WBEAOMQUJHJXML-FYYLOGMGSA-N 442.353 4.599 30 10 IJEE CCOc1c(Br)cc(C=NNc2cccc(C(=O)O)c2)cc1Br 2322923486 XRTKZISNKVMMSE-UHFFFAOYSA-N 442.107 4.755 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2323896869 JMVFRFBTXIOKKZ-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE CCOc1cc(C=CC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 2325631472 AMDIPVIRTNCZSP-UHFFFAOYSA-N 427.806 4.987 30 10 IJEE CCOc1cc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 2325631630 OQOLEXJDAUNEDV-UHFFFAOYSA-N 427.806 4.987 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(F)cc1 2326272547 VZZUBAAXSMHGAA-UHFFFAOYSA-N 428.533 4.822 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329920256 CYBHPYGRVUBPIG-UHFFFAOYSA-N 429.889 4.579 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(F)cc2F)o1 2330840422 NZPVUSGKRZGNEB-UHFFFAOYSA-N 448.495 4.699 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2331030222 JMQUKHPYUBRXTL-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE Cc1ccccc1COc1ccc(C=Nn2c(SCCO)nnc2C2CCCC2)cc1 2331100287 JJQRUEZZLLRIHK-UHFFFAOYSA-N 436.581 4.790 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1 2331305468 GIFBAECEZYLCRH-UHFFFAOYSA-N 432.432 4.894 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1c[nH]c2ccccc12 2331345360 GMISTWRPPFOWRD-UHFFFAOYSA-N 440.617 4.725 30 10 IJEE COCc1nnc(SCc2ccccc2F)n1N=Cc1c(OC)ccc2ccccc12 2331577739 IWNWSEQLZWFSAX-UHFFFAOYSA-N 436.512 4.900 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1 2332188404 KLLVQFNDOANBDI-UHFFFAOYSA-N 444.495 4.946 30 10 IJEE C[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C 2339535510 MPDVEPDVHGMMGC-ROUUACIJSA-N 443.397 4.560 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2365216616 WDXOUKVLSNPUMM-ROUUACIJSA-N 439.394 4.723 30 10 IJEE CC1(C)C[C@@](Nc2cc(Br)ccc2C#N)(C(=O)O)[C@@H]1OCc1ccccc1 2374929318 DMGXSTMGZBLNLX-NQIIRXRSSA-N 429.314 4.571 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1 34955317 ACANILNRTWVZDT-MDWZMJQESA-N 448.471 4.836 30 10 IJEE C=CCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)S2)cc1OC 39888479 DLEGZUKCVSBTNQ-BHSKHCGUSA-N 437.565 4.548 30 10 IJEE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/Nc1ccccc1)CCC2 40824140 RZMAWFBGNKJTLN-XHLNEMQHSA-N 446.526 4.842 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1OC 41289468 VWXDOAWJJOYZFY-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1OC 41646519 AKHQWCIKKUIEIU-JJFYIABZSA-N 433.460 4.574 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c4c(cc(C)c3C1=O)OCN(CC(C)C)C4)cn2C 41651051 MUECCPKTPUJHHM-AQHIEDMUSA-N 432.520 4.919 30 10 IJEE CC(C)c1nnc([C@H](C)Sc2n[nH]c(N/N=C/c3cc(Cl)cc(Cl)c3O)n2)o1 59879466 OYVAZVVDEZDTIZ-QOZVTFESSA-N 442.332 4.623 30 10 IJEE CN1C(=O)/C(=C2/S/C(=N\c3ccc(F)cc3)N=C2O)c2cc(Br)ccc21 96586015 KECJFUHNCIACMC-CCEZHUSRSA-N 432.274 4.667 30 10 IJEE C=C(C)COc1ccc2c(c1)O/C(=C/c1cc(Br)cc3c1OCOC3)C2=O 102724621 XVYXMJAHVHNOPT-FBCYGCLPSA-N 429.266 4.887 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(OC)c2)cc1 169931907 LNUWTUZMYCPETG-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)c1 170047599 IUPAZRNMMPMOFV-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(F)cc2)c1 170060641 JTWVUEBSEBAMSQ-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cn(C)c3ccccc23)s1 170084674 ZXZVMDSOEKHCBF-FQEVSTJZSA-N 447.516 4.623 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1OC 170122510 MDISZEJCBPJNOF-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccc(C)c1 170139639 QEHVANWABBSEOM-FQEVSTJZSA-N 448.544 4.652 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc(OC(C)C)c1 170153653 JEIGTLBOBOQSOF-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1 170189105 KRLBPUXBSYFWAH-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccncc1 170210432 BYPZCPWEMMIFKK-QGZVFWFLSA-N 435.307 4.775 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1Cl 170230989 CFBVISSFXOSRRK-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccco1)c1cc2ccccc2o1 170281313 ZWOAMWYEKDFTHK-NRFANRHFSA-N 429.384 4.537 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cnn(-c3ccccc3)c2C)nc2c(C)cccc12 170509423 XECHYANOXZCDMV-UHFFFAOYSA-N 447.502 4.655 30 10 IJEE CCOC(=N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 254449548 PYBBFRGFAHPUOK-XWJSLNOUSA-N 426.925 4.959 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1 446117237 GTCXVQNQCHFBLA-LJQANCHMSA-N 445.401 4.518 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1cccc(OC)c1 460788105 AZNXKCOSWLITNR-JOCHJYFZSA-N 434.540 4.889 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460937633 OJVMARRSEGQERA-QGZVFWFLSA-N 435.450 4.988 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(N(C)C(=O)NCC)c2)cc1OC 475493439 HAMXRJGSNOJYRR-UHFFFAOYSA-N 448.361 4.800 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1C 487867299 ADNAWYJQJZLOLW-HSZRJFAPSA-N 447.627 4.809 30 10 IJEE C=CCn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 508460427 CMUZQCLZFXKOMU-GOSISDBHSA-N 438.494 4.857 30 10 IJEE C=CCn1c(N2CC[C@@H](c3ccccc3OC)C2)nnc1C(F)(F)Oc1ccccc1 508928986 DQAYJFWRPDEXPK-QGZVFWFLSA-N 426.467 4.595 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 520140380 YNTBTJSHYKBQGW-UHFFFAOYSA-N 434.823 4.644 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(OC(C)C)cc1 526827705 DHGBDERCXOLAAN-OYKKKHCWSA-N 438.553 4.589 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 558980239 FCHATKHMGQDJDO-UHFFFAOYSA-N 427.552 4.673 30 10 IJEE Cc1cc(Br)c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1Cl 561291396 ASIHSDMRIWGOQR-UHFFFAOYSA-N 448.748 4.798 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2ccsc2)C1 582594091 VMWJRHKVQWRXHY-IBGZPJMESA-N 430.961 4.726 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1Cl 608993263 XXVNCLASBFSNLA-IBGZPJMESA-N 429.307 4.845 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 733202211 PHKSQAQAUFXRPB-KRWDZBQOSA-N 446.359 4.977 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 745179012 GVIYIGNNDNSSRZ-CALCHBBNSA-N 442.491 4.568 30 10 IJEE Cc1cccc2nc([C@@H](C#N)C(=O)Cc3ccc(OCCOc4ccccc4)cc3)[nH]c12 765941277 BHVJGDGLIAHDAQ-QFIPXVFZSA-N 425.488 4.748 30 10 IJEE CC(=NOCc1cncc(C(F)(F)F)c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 812305186 UMNFPVXXFXLVEC-UHFFFAOYSA-N 443.351 4.949 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)c(OC)c1 1125049679 PRJATAUYVMVFNI-UHFFFAOYSA-N 443.565 4.948 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 1125260545 FQJRXQAGTIHFNT-UHFFFAOYSA-N 442.338 4.937 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)c1 1126142719 YSDOKUDWJBSPSQ-HXUWFJFHSA-N 434.536 4.896 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)cc1 1127856268 CKIVHGJZTYVMSS-UHFFFAOYSA-N 439.895 4.503 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1128426002 QAUSJBLLDJSJPT-REDKUUPNSA-N 437.367 4.759 30 10 IJEE Cc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)cc1 1129474033 HRSVMEAZKKYLMX-HUUCEWRRSA-N 437.594 4.926 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)cc2n1 1134290876 AFGQNCKPEXGFFX-AWEZNQCLSA-N 429.307 4.521 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 1136334830 HAWCULIQSYUMIT-UHFFFAOYSA-N 431.439 4.997 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2OC)cc1OC 1147119443 LYCMSQVULKCOLG-UHFFFAOYSA-N 429.476 4.860 30 10 IJEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 1162147289 IBTGYYPAERABAE-AEFFLSMTSA-N 438.499 4.930 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@]3(C)Cc3ccccc3Cl)n[nH]2)c1C 1166256325 BXGBJJLSNMQCOC-XMMPIXPASA-N 437.975 4.967 30 10 IJEE C=CCn1c(SCc2ccc([Si](C)(C)C)cc2)nc2sc3c(c2c1=O)CCC3 1188225534 JYJJKORRRPAOPN-UHFFFAOYSA-N 426.683 4.970 30 10 IJEE N#Cc1c(NC(=O)CN2CCC(OCC3CCCCC3)CC2)sc2c1CCCCC2 1191003093 APDDQWVTTUCBBZ-UHFFFAOYSA-N 429.630 4.888 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CO)c2cc(F)ccc2F)cc1OCC 1204048234 OUQCIKXTBSCSKL-SFHVURJKSA-N 442.300 4.514 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 1205135478 XQJAQBVMFMIFDX-UHFFFAOYSA-N 443.519 4.975 30 10 IJEE C=CCOC[C@@H](NCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)OC 1205535078 CSJRXUBUPQLTSY-GOSISDBHSA-N 428.287 4.759 30 10 IJEE C[C@@H](CC#N)N(C)S(=O)(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCC[C@@H](C)[C@H]1C 1209136181 CSLXDKIZCNOORY-ASKKUZCQSA-N 429.989 4.585 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c(Cl)c1 1209889259 QKDZZNWLJZFNCA-KRWDZBQOSA-N 449.942 4.590 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 1219462740 LSBGBOLKHAEEMH-RXVVDRJESA-N 429.561 4.815 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 1221986721 OIRNUQJYZQPIIF-LJQANCHMSA-N 443.588 4.573 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccc(F)c(F)c1 1226647965 XWBRLSVWLRPFSE-SFHVURJKSA-N 441.309 4.816 30 10 IJEE C#CC[C@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1 1228393944 USFDBNCZCUHSSZ-GJZGRUSLSA-N 432.387 4.997 30 10 IJEE O=S(=O)(c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CCc2ccc(F)cc2C1 1260943512 YSPMPOHXOKRNBP-UHFFFAOYSA-N 427.341 4.610 30 10 IJEE C=CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)[C@H](Cc1ccccc1)C(=O)OCC 1269214331 GEBQYDOJSCYRBI-XMMPIXPASA-N 431.532 4.653 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1286339967 RBRWVURNGWGRAC-VQTJNVASSA-N 444.526 4.744 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CCC(OC)CC1 1286381294 QGXJKWMSQLRSLL-UHFFFAOYSA-N 433.021 4.889 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCc2cccc(F)c2[C@H]1C 1286532443 FEQJSBLIOCWJDR-CQSZACIVSA-N 428.309 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1286569479 RKQIWFKXLRNMEM-OALUTQOASA-N 431.028 4.764 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286588245 MPCUNXIMCUCSNJ-UHFFFAOYSA-N 434.853 4.546 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CC(C)C)C1 1286602039 SDAREQTVGRJTQX-NRFANRHFSA-N 439.604 4.612 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1286637016 RBAMLNKODRLXNN-OALUTQOASA-N 429.609 4.738 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(CCC)CC2)CC1 1286665422 FQCAOBJZDRDITP-DHIUTWEWSA-N 443.680 4.721 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC 1286747755 PBXYWFQQBOBMIM-UHFFFAOYSA-N 429.977 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1SC 1286749746 YLDOCUCLAZZWRM-MRXNPFEDSA-N 444.601 4.945 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286772176 RRFYBFYZWAHBME-IBGZPJMESA-N 437.632 4.807 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 1289617911 UPVAGGPXFNHVTQ-UHFFFAOYSA-N 448.935 4.952 30 10 IJEE Cc1ccc(Oc2ccccc2CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 1290045216 DGWGBQGMNXYTJT-UHFFFAOYSA-N 425.532 4.546 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1293256283 FYYULDIWDIXZIW-BGWNEDDSSA-N 434.632 4.810 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1300370839 FJHFTNBTWKBJPP-UHFFFAOYSA-N 435.616 4.540 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1300449487 SCFMCGVLHKCJLD-QGZVFWFLSA-N 432.515 4.637 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C(F)(F)C12CCC2 1300603058 WXRSVEXHCLQRNX-ICSRJNTNSA-N 428.527 4.930 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1300830354 UUNALBDEOQDEIP-NVXWUHKLSA-N 446.349 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)o1 1300896844 KQSCVKLAJDEFQM-JPYJTQIMSA-N 440.519 4.515 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cccs1 1300964345 YBMPZQLGTKJJKE-UHFFFAOYSA-N 433.375 4.894 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN(C(C)C)C2)CC1 1301127400 LVRADWMYLPWPAV-NRFANRHFSA-N 425.596 4.531 30 10 IJEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 1301234220 FVQHEIGXAZIMIM-LJQANCHMSA-N 439.585 4.938 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CC1(COC)CCCCC1 1301359185 GGOVZLVLHACLFD-UHFFFAOYSA-N 438.601 4.586 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1cccc(C)c1 1301362565 FZBOPZKQJXZMMD-WOJBJXKFSA-N 438.597 4.812 30 10 IJEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1301450306 ULFQGHKCEYVNBM-UHFFFAOYSA-N 446.555 4.744 30 10 IJEE C[C@@H](Oc1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1)c1ccccc1 1302585179 GRXBZZPXRNDLSJ-LJQANCHMSA-N 429.495 4.800 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCO1 1303066467 GSPAAOYGEJZPBB-PWRODBHTSA-N 431.625 4.532 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1306449496 HYWXJOHCWMLMJN-JKLQHZFJSA-N 437.588 4.559 30 10 IJEE Cc1cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)ccc1Br 1310061998 HBMKICONQXEVMK-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)NCC1(c2ccccc2Br)CCC1 1310430697 HYRFQMWHFGJFOE-UHFFFAOYSA-N 432.293 4.734 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC)c1ccc(Cl)cc1F 1310576295 JTBIUKHUBWCZGI-FQEVSTJZSA-N 435.890 4.985 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1)C(C)C 1311388926 RYVSIWNOOJVEET-DEOSSOPVSA-N 426.580 4.895 30 10 IJEE Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3csc(C#N)c3)cc2Cl)n1 1357733999 HIUWXUQZTOOSRD-ZDUSSCGKSA-N 427.917 4.539 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1358906118 WXGGUUVLECVZBE-PKTZIBPZSA-N 430.600 4.741 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1358918155 MKUOYKFQDKNUIC-FHAGJXEFSA-N 430.637 4.642 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1(COC)CCC1 1358939315 UQFYFHLRUYYKFF-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(C)c1 1358972352 BWIDFPAEEIOBKT-FQEVSTJZSA-N 428.605 4.755 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1cccnc1)C(C)C 1358989847 RQASUUPDDFPAJR-DEOSSOPVSA-N 448.574 4.791 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC1(CCOC)CCCC1 1359016281 WMMFNWSUWFYEGD-UHFFFAOYSA-N 447.558 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](c1cccs1)N(C)C 1359068256 UEHXSAHZYWHYRP-WMZHIEFXSA-N 440.016 4.955 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1359121386 MADJEIRQBUYZKU-IBGZPJMESA-N 431.378 4.852 30 10 IJEE C=C(C)COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C#N)CC1 1359127209 KUERJVJJXKWUPJ-UHFFFAOYSA-N 448.596 4.710 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359127779 ABEVSQVCJVOKIZ-MNZLEMJZSA-N 449.368 4.674 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@H](F)COC)CC1 1359161527 HGRSBCJYYDWZJB-SFHVURJKSA-N 430.524 4.954 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2cscn2)CC1 1359185699 FXXWDXOKKMWAFX-UHFFFAOYSA-N 436.629 4.635 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1359214285 YJZDWZQRSBCPNV-LJQANCHMSA-N 434.588 4.514 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC1CCOCC1 1359223807 WOHDVISAGSQWSU-UHFFFAOYSA-N 444.645 4.731 30 10 IJEE C=CCN(c1nnc(Cc2ccccn2)n1CCc1ccccc1C(F)(F)F)C1CC1 1359252009 BPDDGGFSXDCDNK-UHFFFAOYSA-N 427.474 4.680 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)C(C)C 1359263264 WFZFZMIZAOJJII-HSZRJFAPSA-N 426.586 4.615 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)CCc1ccc(Br)cc1 1359342366 WCOICRAPJYELLY-UHFFFAOYSA-N 435.435 4.906 30 10 IJEE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1C#N 1438708962 AGFDZHGWWCDKHQ-GOSISDBHSA-N 449.429 4.790 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccccc1 1439953989 KOXGSRXUGFICDQ-WRGVRERRSA-N 428.554 4.567 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3SCC(F)(F)F)n[nH]2)c1C 1440942186 GRCLOTFUQAUFDG-UHFFFAOYSA-N 435.475 4.983 30 10 IJEE CC[C@]1(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CCCN1C(=O)OC(C)(C)C 1444603191 CEQJIXCUOGZOFI-XMMPIXPASA-N 436.512 4.864 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(Oc4ccccc4F)c3)n[nH]2)c1C 1452806151 YVAJTQAYOMDAQX-UHFFFAOYSA-N 445.498 4.937 30 10 IJEE COC(=O)CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1cccc(F)c1 1457393020 CVSLKQPKBMMWSJ-UHFFFAOYSA-N 438.842 4.963 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O 1458794171 FQIHOFLKANJXGZ-BXDFRRGMSA-N 445.588 4.944 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1Oc1cccc(Br)c1 1461383919 BCVGUBJDSLQMOO-UHFFFAOYSA-N 444.325 4.659 30 10 IJEE N#Cc1cccc(COc2cccc(CNC[C@H]3CSCCN3Cc3ccccc3)c2)c1 1461431144 BTWKCXJAODOLGE-SANMLTNESA-N 443.616 4.844 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 1464389107 ZYDZHQPWDAJHLY-WMZOPIPTSA-N 436.622 4.563 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)ccc1Br)c1ccc(F)cc1 1465033241 DUMRBJIJCYSNAI-CQSZACIVSA-N 426.083 4.847 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)n(-c2ccc(C#N)cc2)n1 1466519822 DJVRKLVHVWSYMO-JOCHJYFZSA-N 443.551 4.517 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)OC 1466954319 OWQPEFJDQOXVIE-UHFFFAOYSA-N 430.460 4.708 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 1467306153 ZSGWEBRJEBNGKH-OTWHNJEPSA-N 436.980 4.522 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1467792359 CQTGWHXDZMXHHG-HXUWFJFHSA-N 447.501 4.529 30 10 IJEE C#C[C@@H](NC(=O)NCCc1cc(Cl)ccc1Br)c1ccc(Cl)cc1 1469460887 LXJXPICNOJPALX-QGZVFWFLSA-N 426.141 4.972 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1470667833 TULANUAYNYJYHA-CVDCTZTESA-N 449.954 4.729 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@H]3CNC(=O)C3)c2)cc1OCC 1474078461 KDLLDMMKIQLQHR-QGZVFWFLSA-N 445.357 4.628 30 10 IJEE C=CC[C@H](Cc1ccccc1)NCc1cc(I)c(OC)c(OC)c1 1474178493 ZPGOAUYFZYSYAX-QGZVFWFLSA-N 437.321 4.585 30 10 IJEE C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1475954273 AYZBUUPABRYPIQ-KRWDZBQOSA-N 431.471 4.627 30 10 IJEE CS[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1505178478 FWHUHHHBLFFRAE-DYESRHJHSA-N 436.000 4.742 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@@](C)(CC)O1 1507618752 PNISCNKKOGYZSO-HRAATJIYSA-N 437.371 4.581 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1cnn(CC)c1 1507805316 MPBJIZLHKNODKQ-SGNDLWITSA-N 448.615 4.654 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507829113 RMTGYZPVJPTBLM-NVXWUHKLSA-N 438.494 4.952 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1507897848 ROFXNPUROMIAER-LJQANCHMSA-N 443.592 4.798 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507939857 SJLDQVHJYRTFAQ-GOSISDBHSA-N 445.558 4.823 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc(C)c1 1508002560 JDTHDRGHHSCNTE-VXKWHMMOSA-N 438.597 4.613 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1508009316 ZMWXPDBGEGABPR-UHFFFAOYSA-N 449.624 4.769 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1508159644 WMCASCQCMNFQQD-HXOBKFHXSA-N 428.602 4.650 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(F)(F)F)c2)C1 1510285312 IATASTLUGIINOA-NRFANRHFSA-N 426.446 4.537 30 10 IJEE CCCCCn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1514404536 ORKYLFVVRGLLAJ-UHFFFAOYSA-N 447.568 4.744 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(F)cc2-n2cccc2)nnc1-c1ccco1 1520507324 SUKHAIRPBLPZML-UHFFFAOYSA-N 437.500 4.775 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Cl)cc2ccc(C)nc12 1523502770 VCVZSGOQZSWRMX-UHFFFAOYSA-N 425.868 4.940 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc2cc(Br)cc(Br)c2o1 1524517321 YLYXRWPSISBLGV-ZUZCIYMTSA-N 443.135 4.669 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(OCC(F)F)ccn2)cc1 1527602271 FLRZACWJLXKHKD-UHFFFAOYSA-N 425.391 4.650 30 10 IJEE C#CCOc1ccc(COC(=O)c2c(-c3cccc(Br)c3)noc2C)cc1 1528483710 HDKSKTOUHXTJHG-UHFFFAOYSA-N 426.266 4.782 30 10 IJEE C#CCOc1ccccc1CNC(=O)CCc1cc(C(F)(F)F)ccc1Br 1531607373 XYXSOUAQAPHXTQ-UHFFFAOYSA-N 440.259 4.729 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 1534346915 ATUCZHDFMVKJCS-QHCPKHFHSA-N 444.462 4.840 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Cl)nc(N2CCCC2)c1 1535433605 ZDGZHIBVLFOMGT-UHFFFAOYSA-N 436.737 4.915 30 10 IJEE C=C(C)[C@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)c1ccc(F)c(F)c1 1537693203 YGYTYEZBZIHZBK-DEOSSOPVSA-N 427.447 4.754 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1539078336 ZAIKDIMNZXLDTG-AREMUKBSSA-N 447.671 4.815 30 10 IJEE N#Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)s1 1539102339 AEUNGXWPDSSSPY-UHFFFAOYSA-N 427.982 4.960 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1539194311 XACREGPZSHFKEB-RSXGOPAZSA-N 436.600 4.564 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1539357857 SXEBSRQECBXQLE-UHFFFAOYSA-N 439.350 4.716 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccs1 1539611516 AOPOAPGOSKFSCJ-HZPDHXFCSA-N 439.423 4.803 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1539621546 AOSPXEMYTSJAHP-UYAOXDASSA-N 445.489 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)cc2F)[C@@H](c2ccccc2Cl)C1 1539702353 BSACIJPYRPKLBJ-HXUWFJFHSA-N 443.906 4.785 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1539774937 HBCKDNFETXOSSM-WMZOPIPTSA-N 434.943 4.563 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1539835525 CXHPSJAKJNTYQG-QFIPXVFZSA-N 430.556 4.649 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN(C)CC(F)(F)F)CC1 1539878106 RNYFIWFUAZPRLT-UHFFFAOYSA-N 441.929 4.885 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC2(C)CCOCC2)CC1 1539881955 QESPZRCVGFGYQQ-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)CC1 1539952262 ACKJJMHTKZFYCN-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@H]1C 1540004575 BEJISEHIYKUKJE-RTBURBONSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C(C)C)C1 1540125919 CRGVFGGGHXIEQD-DEOSSOPVSA-N 444.627 4.962 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CC(F)(F)Br 1540178183 YRQWCWWYMBCFPB-UHFFFAOYSA-N 427.337 4.798 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2(COC)CCC2)C1 1540885437 IQIBSSJOKPCDDC-HXUWFJFHSA-N 430.980 4.587 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)C(C)(C)C1 1540910220 BDWSLCICTKJFHZ-AWEZNQCLSA-N 438.439 4.827 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1540914685 BMYNXXHWLFVEBW-SFHVURJKSA-N 449.665 4.596 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)CCCCC1 1544382453 IIVRIVZNWZANQN-UHFFFAOYSA-N 439.560 4.962 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C(F)(F)F)cc1 1544661325 GMSDXNHYFJWQNT-IBGZPJMESA-N 444.858 4.722 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 1556558077 KLRDALRMVJVQLF-QFIPXVFZSA-N 434.939 4.696 30 10 IJEE CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1557058648 BXQCWPNRIMNFMD-SFHVURJKSA-N 448.013 4.949 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C[C@H](O)COc1cccc2[nH]ccc12 1559621603 BLHGOZHLMCZBMP-QFIPXVFZSA-N 429.495 4.934 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CCCCC1 1562111683 RDELZKWGIBNYPM-OALUTQOASA-N 433.618 4.754 30 10 IJEE Cc1c(C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1568762819 FUNPSPIAWAEAMO-QGZVFWFLSA-N 427.570 4.991 30 10 IJEE COc1ccc(CCC(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)c(OC)c1OC 1583689227 FXIDIJZWWSMZGV-ZIAGYGMSSA-N 428.554 4.903 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1586657397 HAYVGCFAKKKJGF-UHFFFAOYSA-N 429.545 4.730 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C(F)(F)C12CCC2 1587561961 JIXPIHAMZMPVEL-DAYGRLMNSA-N 434.918 4.965 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCCN1CCCCC1 1587614971 PYPWRIPGBLRMIQ-NRFANRHFSA-N 432.616 4.551 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N(C)Cc1csc(CC)n1 1589357676 DJPFMMOXAABEHL-UHFFFAOYSA-N 432.391 4.817 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1594625588 HJXDOXRQYYSVKW-UHFFFAOYSA-N 444.023 4.839 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1594793192 IRGBMURERJSPKQ-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=CCCOCCn1c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1594829632 NUQGDXGPHVNAGT-NRFANRHFSA-N 447.023 4.772 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N[C@@H](C)CC)C1CC1 1595033194 DHWMQOKNJACTGE-SJORKVTESA-N 441.645 4.591 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1c(CC)noc1C 1595075416 DUSVCHBHDPHFMQ-UHFFFAOYSA-N 437.588 4.975 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1595100067 MMPKVIJVKBULSU-RSXGOPAZSA-N 433.600 4.746 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC1(CC)CCC1 1595120057 LAQOYTMPUJKTQT-UHFFFAOYSA-N 448.546 4.837 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1cccc(N(C)C)c1 1595244263 XUYYJMIEXNMCBX-UHFFFAOYSA-N 431.540 4.789 30 10 IJEE C#Cc1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)c(Cl)c1 1598567619 NDCJUPNQVGAKRW-LBPRGKRZSA-N 425.941 4.728 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C)(C)CC2)c1 1611044337 XHZGPCMCTLJCBS-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C=CCn1c(SCCO[C@H]2CCOC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1613221191 SWNSBDNRDDNAGS-KRWDZBQOSA-N 446.569 4.656 30 10 IJEE C=CCn1c(SCCCCCNC(C)=O)nc2cc(-c3ccccc3)sc2c1=O 1613380162 FLSYGPGNBWYTFL-UHFFFAOYSA-N 427.595 4.710 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)c(OC)c1 1618085180 FDFTUMXJOSKLHV-LBPRGKRZSA-N 440.284 4.721 30 10 IJEE C#CCC1(NC(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)CCCCC1 1623036644 PLZUBKPZJBHDAT-UHFFFAOYSA-N 445.563 4.675 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C 1624394759 GNVDBAAGFKBTMN-IBGZPJMESA-N 441.572 4.704 30 10 IJEE C#C[C@@H](NC(=O)NC1(C(F)(F)F)CCC(F)(F)CC1)c1ccc(Br)cc1 1628041151 SSVFOSLYFQBIPL-CYBMUJFWSA-N 439.222 4.933 30 10 IJEE C#CCN(C(=O)c1cc(C)n(C2CC2)c1C)[C@@H]1CCOc2ccc(Br)cc21 1633713658 NCLONDFPYXCSBL-HXUWFJFHSA-N 427.342 4.802 30 10 IJEE N#Cc1ccc(NCC(=O)NCC2(c3cccc(Br)c3)CCCCC2)cc1 1634868397 HQWRLNNWCKRYNS-UHFFFAOYSA-N 426.358 4.751 30 10 IJEE C=CCC1(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)CCCC1 1636474211 KQLJCGFHVVGKIP-UHFFFAOYSA-N 430.545 4.801 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)n(-c2ccccc2)c1C 1642494811 GSBAFEPQCYGVRL-INIZCTEOSA-N 438.478 4.857 30 10 IJEE C[C@@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N(CCC#N)c1ccccc1 1642829517 DZFGFXKKJMOVPC-QVKFZJNVSA-N 444.348 4.964 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1643369868 IOLRXHHRHAXCKN-FQEVSTJZSA-N 431.964 4.746 30 10 IJEE C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(Cl)cc1 1654150738 HVYXBFPZLRRUDR-DPZKZMLUSA-N 439.762 4.650 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)C1 1654709479 CAUYPHPSGPVQLY-INIZCTEOSA-N 448.972 4.578 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)COCC2CCCCC2)n(-c2ccc(F)cc2)c1C 1654859422 BICYFYCNEVIBNJ-KRWDZBQOSA-N 440.563 4.618 30 10 IJEE C#C[C@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 1655829878 JHYPKNAATYHEHJ-QFIPXVFZSA-N 433.552 4.970 30 10 IJEE COCCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C)cc1C 1657088510 DMEOLXLHHPGYMO-UHFFFAOYSA-N 425.598 4.593 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCN(c3ccccc3)C2)cc1OC 1657242004 ZWKMEOGSIDXOEW-GOSISDBHSA-N 431.374 4.781 30 10 IJEE C=CCCN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1 1657952549 XEBWOMSATICUGH-UHFFFAOYSA-N 449.548 4.688 30 10 IJEE C#CCN(C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)C1CSC1 1659480768 GGPUCOIOWITNDS-UHFFFAOYSA-N 428.423 4.942 30 10 IJEE CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)N(C)CCC#N 1660114515 GJODQLWJWKXVLI-TZRRMPRUSA-N 431.646 4.500 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc2ccccc2c1Br 1660921054 RHTMQWJTTZNUGJ-UHFFFAOYSA-N 446.366 4.988 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(F)c(F)c2F)c1 1661060943 SBZLZPOQJATZKJ-UHFFFAOYSA-N 448.418 4.667 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)[C@@H]3c4cc(Cl)cc(Cl)c4C[C@H]3O)cc2n1 1664853148 BTSHVLZUNFCIHR-WOJBJXKFSA-N 431.323 4.651 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)cc1Cl 1666774313 BOKMFQVGYLTEDQ-UHFFFAOYSA-N 441.778 4.821 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1668824982 RUZYBJICQUFNHZ-FQEVSTJZSA-N 431.939 4.508 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)C1CCOCC1 1669077093 QGZXLFRPTCSXMO-SFHVURJKSA-N 428.920 4.598 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1)c1ccc(Br)cc1 1674025233 AXTHNSVOSARMNB-CUWPLCDZSA-N 427.342 4.720 30 10 IJEE C=CCCC(C)(C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1674301519 VAOMVAPJUHKFJH-WOJBJXKFSA-N 433.568 4.963 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1675441847 VYFZQWJIIAIBOQ-PMACEKPBSA-N 425.548 4.727 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@H](C)Oc1ccccc1Br 1678506137 CVKLWOVIXIEAPI-KRWDZBQOSA-N 433.346 4.936 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 1683159671 JXUWKDZVIZIMGS-HSZRJFAPSA-N 441.019 4.859 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)C(F)(F)F 1690090161 XZWHPMJGZSHRMZ-GOSISDBHSA-N 438.469 4.887 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(CC)C(C)C 1690193635 OIHQKXPLXYLRED-ATIYNZHBSA-N 437.632 4.757 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCc1nccs1)c1ccccc1 1690445376 WPRZUKJWHZUBHQ-RTWAWAEBSA-N 437.613 4.667 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1cccs1)N(C)C 1690517001 WPSUNXRIAAILNK-NRFANRHFSA-N 432.597 4.788 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCC(F)(F)C(F)F 1690518337 FTKUOOJTNICXTM-UHFFFAOYSA-N 446.514 4.815 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(C)CCOCC1 1690556351 UTQXWMKQLBCYDQ-QFIPXVFZSA-N 440.588 4.538 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@H](C)C1 1690561242 IRGNHSZVHDVRHQ-CYFREDJKSA-N 443.599 4.640 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC[C@@H](OC)C(F)(F)F 1690562952 ATWCVTMABVZQAC-LJQANCHMSA-N 431.462 4.500 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@H](C)C1 1690571828 KHEWOCBKGOALPU-NQIIRXRSSA-N 436.579 4.908 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2C[C@H]2C)C1 1690712029 LZRFWMNXAFBIPM-HLLBOEOZSA-N 437.371 4.601 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1690750155 BFTVRVBTJAMIQB-WOJBJXKFSA-N 442.629 4.801 30 10 IJEE CCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1695193422 CLFZHXJRSCSCTF-OFNKIYASSA-N 439.604 4.806 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)SC 1705619720 ZLRKICLZEQMCNK-HNNXBMFYSA-N 429.952 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCCCCN1CCCC1 1705670471 VYVWRKQALBPLDR-HHHXNRCGSA-N 444.627 4.855 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1705729859 AWICHCTWVZKVFG-VDGAXYAQSA-N 430.980 4.756 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)s1 1705735991 ZDWBYHQCPDJBBG-UHFFFAOYSA-N 439.423 4.989 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705762552 CANXIKYHAHBUSP-SIKLNZKXSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cccnc2OC)CC1 1705785532 LXCNSWACUICHGT-UHFFFAOYSA-N 435.597 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1N1CCCC1 1705789414 KUNQTZVRPSAANU-UHFFFAOYSA-N 431.588 4.574 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCCC1CCOCC1 1705866192 JQCIWRJPZMOLAU-NRFANRHFSA-N 430.618 4.981 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCCC[C@@H](SCC)C2)cc1 1705910766 MOLOWAKOHDBDNL-JOCHJYFZSA-N 426.630 4.956 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(CC)s2)C1 1705927817 HDGYAXIREWZZPP-DUXKGJEZSA-N 444.645 4.650 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2ccco2)C1 1706441516 DIDATYVYSFOXCO-PXDATVDWSA-N 433.556 4.591 30 10 IJEE CCc1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1709035052 HLEVRWVYLRVVCM-UHFFFAOYSA-N 430.556 4.503 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1710019554 HBAPHVWUSPDCCN-UWJYYQICSA-N 440.592 4.825 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1CC(F)(F)C1 1722277787 AZQHAVQMPHVNPX-LLVKDONJSA-N 443.723 4.864 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCc2cccnc21 1722279332 BNSLGQJEEBYHAE-AEFFLSMTSA-N 435.959 4.580 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1occc1C 1722279694 IBGXSQZDPQAMAB-ZDUSSCGKSA-N 433.737 4.769 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc2ccccc12 1722387253 CTBMHOGRGHFFQT-FYYLOGMGSA-N 446.620 4.727 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1OCCC1(C)C 1722405577 NJKCBGMKODHFCU-HSZRJFAPSA-N 431.584 4.627 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1722480287 OGYOOLDOYQZXJA-KUHUBIRLSA-N 432.322 4.531 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1722494185 LVXDCNZXCHFBTE-NVXWUHKLSA-N 428.886 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722587664 WSMNOKJJZGRVFG-SFHVURJKSA-N 427.568 4.572 30 10 IJEE C=CCCCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722623020 PLAGFAKZZJPKKD-GBESFXJTSA-N 431.625 4.887 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 1722630025 SWODMUCJYTZPBF-QHCPKHFHSA-N 432.996 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1cccc(CSC)c1 1722663989 NBOQQDXFQRNZOV-FQEVSTJZSA-N 440.638 4.947 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)N1CCC(C)CC1 1722666706 RWBLHVSCGYDQIR-OAQYLSRUSA-N 430.600 4.792 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OCC)CCCC1 1740538158 DBXWYNIEJMHIER-ROUUACIJSA-N 426.630 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCCC[C@H]1C 1740539358 OSNQRDNGEIYWJQ-SLFFLAALSA-N 439.673 4.854 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOCC)CCCC1 1740602959 AZWCDRYWWAMQHI-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC2(CCCCC2)C1 1740712535 LHUDAUOVBWSUHV-UHFFFAOYSA-N 431.005 4.504 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCc2cc(F)ccc2C1 1740747146 ZUOFTHKRNXLWEW-UHFFFAOYSA-N 433.350 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1740757105 SMVYSHALPYLMMD-HXHBTQRASA-N 426.630 4.819 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccnc1OC 1740769635 PNDNAIOBMTWXJD-QGZVFWFLSA-N 437.613 4.986 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@@H](C)C1 1740790421 HNLTXGYGGAUHIJ-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1740812533 BLPLCUCOSMPBIQ-UHFFFAOYSA-N 429.008 4.646 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(N(C)C)CCC2)CC1 1740836706 RSQNPCFALBBWLI-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1740846279 UBOBOEYQYGDROY-XLIONFOSSA-N 425.602 4.914 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740851759 BSDMFPNUAXMRJW-RBUKOAKNSA-N 445.007 4.976 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)NC(C)C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1740855200 FEOSFZWIZBSRGY-DLBZAZTESA-N 429.531 4.893 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1740860720 NMVGUMNCKFZPBJ-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1740868157 FQKXPMZCOMDBOP-RBUKOAKNSA-N 428.577 4.787 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](c1ccco1)N1CCCC1 1740892379 VLCKAXFSSDJIAK-GHTZIAJQSA-N 439.535 4.610 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](CC)N1CCCC1)C1CC1 1740908003 GXTUGKCRYITYKG-IBGZPJMESA-N 444.421 4.737 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1Cc1ncccc1C 1740920161 GIKLALQOSCUADN-UHFFFAOYSA-N 448.571 4.717 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CC(=O)Nc1ccc(F)cc1 1740923424 LTPPKUJDELPCFR-UHFFFAOYSA-N 427.549 4.509 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC2(CC2)C1)C(C)C 1740927039 PXFYVZPTEYYRSO-FCHUYYIVSA-N 427.637 4.599 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(Cc1cccc(F)c1)C1CC1 1740944019 KTKRNKZWLLETFU-UHFFFAOYSA-N 430.325 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(CCOC)CC1 1748647500 OLXQXTZPHGZQEP-KRWDZBQOSA-N 435.597 4.652 30 10 IJEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cscc1C(F)(F)F 1748780997 SUGZNTKMPITPBM-UHFFFAOYSA-N 427.455 4.691 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1749027105 LERGWWYOMWLBRX-FGZHOGPDSA-N 438.641 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1ccc(Cl)cc1 1749127784 PFWXDVAVLRZJFG-NQIIRXRSSA-N 430.980 4.695 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)(C)CC1 1749136981 VNSGBJVIVVCUJM-URXFXBBRSA-N 438.616 4.680 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2sccc2C1 1749238993 GACFMIRREIEKJQ-UHFFFAOYSA-N 438.597 4.691 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1749309139 DJCBJDIZCZTVJJ-XMMPIXPASA-N 437.632 4.567 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1coc(-c2cccs2)n1 1749499807 NZXQYVBDZPFTCE-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC1(CC)CCOCC1 1749540959 HRGHHRFMVYFGSE-UHFFFAOYSA-N 435.547 4.879 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1 1749683786 GFDLQPHQUNYTRG-QFIPXVFZSA-N 436.556 4.711 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccnc(SC)c2)C1 1749703689 MZPIFWAKNPVNQE-KRWDZBQOSA-N 441.988 4.545 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1749744486 LCWKUDQQCNDXJP-BJLQDIEVSA-N 430.618 4.568 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1760134022 XSQHPOIFQNHFDP-UPVQGACJSA-N 444.627 4.711 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cc(F)cc(F)c1 1760173917 ZMMSCYHBKIWSNC-HNNXBMFYSA-N 426.536 4.722 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(C)noc1C 1760196425 NEXATDNFUAVGRJ-UHFFFAOYSA-N 435.940 4.539 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1760214631 WKBKHTONCNEKAO-FYYLOGMGSA-N 448.611 4.646 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C2CC2)ccc1F 1760214770 BAXGXUIBMAVAFI-UHFFFAOYSA-N 433.918 4.521 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CC)C1 1760317436 GASGCCLAPBQLLO-KPFFTGBYSA-N 445.405 4.925 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2nccs2)CC1 1760392132 FNMRVNRGWGOYPG-UHFFFAOYSA-N 429.977 4.756 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760467279 XDEKRYRNHTWODV-CPJSRVTESA-N 425.621 4.607 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(F)cccc1OC(F)F 1760468687 CSQQFPWAZDJBHB-RDTXWAMCSA-N 438.494 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC=CCC1 1760485721 OHJOABVSZSBHKU-CVDCTZTESA-N 428.602 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1nc(C)c(C)s1 1760486544 RDXSVKPWDMXGQT-GOSISDBHSA-N 429.615 4.895 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](COC(C)C)C1 1760507757 DAJWJDDXTAGHLR-IBGZPJMESA-N 442.560 4.629 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCCS1 1763709875 CLNUXLMCTNJFFZ-PZJWPPBQSA-N 438.645 4.666 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CCS1 1764388525 DFWUEFWGZYVAKW-QUCCMNQESA-N 439.629 4.744 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(OCc2ccc(F)c(F)c2)c(Cl)c1 1772791175 NVVIRGDCGRNPHS-UHFFFAOYSA-N 443.789 4.565 30 10 IJEE Cc1ccc(-c2ncc(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c(C)n2)cc1 1859649479 PSQFLMAGWKMUNR-UHFFFAOYSA-N 445.486 4.618 30 10 IJEE CC(C)CCC(=O)Nc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1860161447 PPBQEQYSWQPNJA-UHFFFAOYSA-N 425.554 4.891 30 10 IJEE CCOc1ccc(CCNC(=S)N/N=C/c2ccc(Cl)cc2Cl)cc1OCC 1860498338 XXDRGUWNSDFZQT-ZMOGYAJESA-N 440.396 4.832 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)C1CCN(Cc2ccccc2)CC1 1861168454 RBRPFKDAFFZMHN-VWLOTQADSA-N 443.676 4.906 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 1862382740 JNFIBHKLTASGAB-IBGZPJMESA-N 446.286 4.505 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(O)cc2)ccc1F 1862507567 OKBWJCNQFBATAA-OAQYLSRUSA-N 437.492 4.722 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862533656 NLXAEFQOXOVSOQ-DEOSSOPVSA-N 427.500 4.776 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCCO)cc1 1862548261 NKEMMDHMFKFFQA-VWLOTQADSA-N 447.575 4.869 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862556420 WIDVCQBFJNNYEK-HSZRJFAPSA-N 430.479 4.749 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2 1862611591 PEAICPKQTVBVDB-LJQANCHMSA-N 446.286 4.505 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862703355 FUGHAOLVNZMWSE-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862745067 AFNVDSTWZBCFQN-QVKFZJNVSA-N 438.480 4.760 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Br)cc2)C(=O)N(c2ccccc2)C1=O 1862819296 HBHZQZGZDLNPOO-UHFFFAOYSA-N 444.288 4.717 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(C[C@H](C)O)C1=O 1863696711 STOQABUAQMJEHF-FQEVSTJZSA-N 444.616 4.665 30 10 IJEE N#Cc1c(NC(=O)c2cc(=O)c3cc(N4CCCCC4)ccc3[nH]2)sc2c1CCCC2 1866548369 LQHBLTWJMWTOFO-UHFFFAOYSA-N 432.549 4.583 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@H]2C(C)C)nc(Cc2ccccc2)n1 1869082931 KLBRHWVIQRLEKY-AREMUKBSSA-N 428.584 4.729 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N(CCO)Cc2ccccc2)nn1-c1ccccc1 1869977795 IJNOXFDDRKSPBG-UHFFFAOYSA-N 449.599 4.955 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2cccc(C)c2)n(-c2ccccc2)n1 1870000240 IPBFUEARUJLMIE-UHFFFAOYSA-N 431.540 4.552 30 10 IJEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870436749 FDJMNZCNQRIOQM-UHFFFAOYSA-N 447.664 4.721 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1cccc(Cl)c1 1870840097 OBINQCURSRWOEO-UHFFFAOYSA-N 432.948 4.802 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871387421 UQXZWPYQGOYTGM-UUYOSTAYSA-N 431.400 4.829 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(OC)c4)c3C)C2=O)c1 1871442077 YLBVFJJELLOTNU-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4F)c3C)C2=O)o1 1871442678 CRBFJUFOFKPPDJ-NVMNQCDNSA-N 443.377 4.947 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872236082 UCKWSFNTOYKYLK-JOCHJYFZSA-N 440.952 4.897 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 1872245387 RACQKSVGITYCQH-QHCPKHFHSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872355657 PEDUZBDWXUYOFC-SFHVURJKSA-N 434.524 4.677 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1Cl 1872784983 BUGLOJSWQMUEEW-OAHLLOKOSA-N 442.924 4.908 30 10 IJEE Cc1sc([C@H](C#N)C(=O)CN2CCC(C)CC2)nc1-c1ccc(Br)cc1 1872799284 GGMDESGZSQMDDV-QGZVFWFLSA-N 432.387 4.789 30 10 IJEE CCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2c(C)cc(C)cc2C)C1=O 1873116786 RMGPPEOVKIZVHD-NRFANRHFSA-N 426.601 4.821 30 10 IJEE C=CCn1c(C(=O)NCCCOCCCC)cc2c(N(CCCC)CCCC)ncnc21 1873593709 HDUBAHBSODDFRX-UHFFFAOYSA-N 443.636 4.961 30 10 IJEE Cc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccc(C#N)cc3)CS[C@H]2c2ccccc2)cc1 1873867779 XRYWRMKRHNJBPH-RDGATRHJSA-N 427.529 4.762 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccc(F)cc1 1874202300 VFKCMSPSUQDYET-PCLIKHOPSA-N 440.544 4.770 30 10 IJEE CCOc1cccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SC)c1 1874212371 JHZJLQYQDVSNAE-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1O 1874284687 SRLWJIAYBHVQLU-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCCCO)cc1 1874354399 IBPSUQGYRLJQDH-PCLIKHOPSA-N 438.597 4.649 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2C)o1 1874418046 WCULQBSKWQFRDD-MFKUBSTISA-N 446.532 4.731 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccco2)cc1 1874437077 JNYDBJXLZQIHMT-OEAKJJBVSA-N 425.558 4.635 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2)c1C 1874464451 KHGFJMKECMVFJS-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3nccs3)nnc2C2CCC2)cc1 1874492748 CJSKJMKULFYQSE-FSJBWODESA-N 440.598 4.739 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1cccc(F)c1 1874504443 RPMDRMJVSVGMQG-ZVHZXABRSA-N 425.533 4.545 30 10 IJEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCCO3)o1 1874581878 KKIMQEXJWNQHAR-JXMROGBWSA-N 434.444 4.703 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1c(OCC(N)=O)ccc2ccccc12 1874586854 IGRHNGWTHSLBEU-BQYQJAHWSA-N 430.287 4.915 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 1874613646 GBPIXQOVMXTLNC-KPKJPENVSA-N 442.508 4.577 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)[C@H]1CCCO1 1874714572 CRYGNMCBDWNJGO-CPSHHHPTSA-N 430.884 4.646 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875125258 ZILZPXMWMQLHOU-MEQKGCOVSA-N 436.838 4.997 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)c(C)c1C 1875164605 RRALBMDQWKFMTQ-OEAKIKGJSA-N 444.911 4.955 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1C 1875187126 TVTOMXHPCRIKFP-DUIUGDAFSA-N 444.911 4.955 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc21 1890690915 KHOGAEJWWCUNTH-UHFFFAOYSA-N 434.414 4.775 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 1899555409 IAAPNUOCXDZZEV-RTWAWAEBSA-N 438.549 4.644 30 10 IJEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1900214365 MLRCFYMLDWZNKP-OALUTQOASA-N 435.487 4.858 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1976249814 NGFYAYORFLUMKM-CYBMUJFWSA-N 445.151 4.701 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1OC 2040892064 LAMCRGFMWQXJBO-UHFFFAOYSA-N 442.313 4.560 30 10 IJEE C#CCN1CC[C@H](NC)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343828 HQNZTTWJKBUJQP-LSYYVWMOSA-N 426.560 4.813 30 10 IJEE CC(C)(C)OC(=O)c1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1[N+](=O)[O-] 2079207511 HBLPXKAKOURLAU-UHFFFAOYSA-N 443.275 4.913 30 10 IJEE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(I)c1C#N 2079944651 UOBNWQZUOIVPRY-QGZVFWFLSA-N 435.309 4.634 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c1N 2079969607 GJKBLPGYSFFQGL-ZDUSSCGKSA-N 439.331 4.818 30 10 IJEE Cc1nn([C@H](c2ccc(OC(C)C)cc2)C(C)C)c(I)c1C=NO 2080103140 DYBIYHPQUFTSNU-KRWDZBQOSA-N 441.313 4.637 30 10 IJEE CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2118191838 JLTNTAQDKNKEFK-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C[C@@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1Cc1ccc(Br)cc1C#N 2174564701 GIMUVZFWCWMGPO-CVEARBPZSA-N 436.394 4.836 30 10 IJEE C=CCC1(NC(=O)c2cccc(F)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2174761188 NHMMYXQGWMDRAR-UHFFFAOYSA-N 441.341 4.664 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(C#N)c2)cc1Br 2181045568 HPWAAESPABPKSA-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE C=C[C@@]1(Oc2c(N)cnc3ccc(Br)cc23)CCN(C(=O)OC(C)(C)C)C1 2198942518 LRDBJMOQHSYLSZ-HXUWFJFHSA-N 434.334 4.524 30 10 IJEE O[C@@H](C#Cc1ccc(Cl)cc1)c1ccc(Br)cc1I 2230988464 FZVRHTZJUCSZBH-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1ccc(I)c(C)c1 2235719981 GUZVPWQCNTXUCR-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2235722648 KBAZPVMBSXFAHD-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE COc1cccc(C#C[C@@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1 2237752731 VJZPMZPBYNOILY-LJQANCHMSA-N 431.330 4.856 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC(F)(F)F 2247919827 YGPDADJYQRRMCR-UHFFFAOYSA-N 439.308 4.560 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2251932678 WTXQHHQVZNDVNQ-JOCHJYFZSA-N 427.497 4.949 30 10 IJEE C=CC[C@@]1(COc2nc(Cl)ncc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272090617 GDMUUMCSZXSJJC-GOSISDBHSA-N 446.773 4.865 30 10 IJEE Cc1cc(C(=O)C#Cc2ccc(Br)cc2)ccc1I 2278802694 RNSYRBADLDCAAA-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2296274189 SLFWAYMQQNAFPJ-UZLBHIALSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2296293871 OAFMZMPQWRNJAS-PGRDOPGGSA-N 433.390 4.616 30 10 IJEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc(I)cc1 2296453330 OHPLPIFYGHYHIZ-UHFFFAOYSA-N 440.693 4.836 30 10 IJEE COCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1 2297741542 KVEBKNMIVTVMLM-QHCPKHFHSA-N 429.472 4.547 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nncs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2297747290 NWPZJKBQMUZBSZ-LJQANCHMSA-N 433.533 4.770 30 10 IJEE O=c1cnnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc2[nH]ccc12 2321647160 HEHIYURQMQGSSL-UHFFFAOYSA-N 430.320 4.601 30 10 IJEE Cc1c(OCC(=O)OC(C)C)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2321862531 PMEYQTGCLSXLBR-UHFFFAOYSA-N 431.282 4.704 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)c1OC 2322781511 ZHPBNPKRPRGXBQ-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2323676513 CNHMADRCLRRQPD-UHFFFAOYSA-N 449.375 4.886 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325423698 KVXAQYDANSKMGE-HNNXBMFYSA-N 446.459 4.569 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)c1 2325572025 AGQAHPUFBXEXAO-UHFFFAOYSA-N 427.456 4.885 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2325610616 DNLAPPAVUSZYAX-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)OC2CCC(C(C)(C)C)CC2)cc1 2325723036 RDXRIMIRXAYNRO-UHFFFAOYSA-N 443.584 4.664 30 10 IJEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1Br 2326236501 LBAKEDANZIEIDJ-UHFFFAOYSA-N 435.322 4.753 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc(OC)c1O 2328904710 LQGJMHDZOFBLFD-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)C=Cc1ccc(Br)cc1 2329609091 XAXPBKSRGROQBJ-UHFFFAOYSA-N 425.261 4.512 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)C(C)=Cc1ccccc1 2330082037 IABIBTRETLRLFU-DEOSSOPVSA-N 434.605 4.709 30 10 IJEE CCCNC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(C(C)C)cc1 2330566738 OWXOBZKJONOTMR-UHFFFAOYSA-N 427.599 4.631 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccn2)c1 2330645331 HGOWJFDAVFSDKT-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE C=CCSc1nnc(-c2ccccc2)n1N=Cc1cc(Br)cc(OC)c1O 2330678456 MWXMYZMVRLRVPF-UHFFFAOYSA-N 445.342 4.582 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cnccn1 2331138288 CTXJRKWEKCQRDU-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE CCCOc1ccccc1C=CC(=O)NCc1ccc(OC(=O)c2cccc(C#N)c2)cc1 2331242708 CKNLCHXPCSUTPX-UHFFFAOYSA-N 440.499 4.896 30 10 IJEE COCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Br)cc1 2331259082 IPIGZPNULLQWNL-UHFFFAOYSA-N 449.349 4.543 30 10 IJEE O=C(Cc1ccccc1F)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2331440375 LHDZXMPFUPTEGU-UHFFFAOYSA-N 449.390 4.507 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(N(C)C)cc2)c1 2331494191 JMVBWBQVXAEHNC-UHFFFAOYSA-N 448.596 4.533 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1C 2331851573 UKSJVEIPBHDNMT-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE CC#CCN(C[C@H](NCCC)c1cc(Br)ccc1F)C(=O)OC(C)(C)C 2337911487 FPDUKSHKWNNJPA-SFHVURJKSA-N 427.358 4.889 30 10 IJEE Cc1cc(CN2CCCC[C@@H](N(C)Cc3ccccc3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369733934 RQZSHGHAVDZQEW-AREMUKBSSA-N 448.460 4.781 30 10 IJEE CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C#N)cc1 4928446 ZIGDWFCAJPYQOY-UHFFFAOYSA-N 429.564 4.943 30 10 IJEE N#CC1(c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)CCCC1 20498744 PTNMVRGBKIGJLD-UHFFFAOYSA-N 428.355 4.911 30 10 IJEE Cc1cccc(NC(=NC(=O)c2ccc(F)cc2)N2CCN(c3ccc(F)cc3)CC2)c1 32946270 CGQQCGXUTGYSTA-UHFFFAOYSA-N 434.490 4.704 30 10 IJEE COc1ccc(C(=O)O/N=C(\c2ccc(OC)cc2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 38194986 JZUFUKPTMPEVPI-OERFTBBMSA-N 445.471 4.797 30 10 IJEE Cc1c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(O)n(C2CCCC2)c(=O)c1C#N 38617966 SPBKBFSRIZXSOF-GFCCVEGCSA-N 435.307 4.806 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1 40077077 OPBYGKRXHFXNDO-SFHVURJKSA-N 430.298 4.533 30 10 IJEE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)n1 40825348 AKPCRESFLAGRPG-WPWMEQJKSA-N 433.537 4.571 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1OC 41649502 NMJRWADXGAAITP-KSEXSDGBSA-N 447.487 4.882 30 10 IJEE O=C(CSc1ccc(/C=N/Nc2ccccc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 59498923 PVRYIWGGOUCYCY-LPYMAVHISA-N 436.449 4.924 30 10 IJEE O=C1CCCC2=C1[C@H](c1ccc(F)cc1)n1ncc(C(=O)Nc3ccc(Cl)cc3)c1N2 64874098 MBISJRCNWAIUQE-NRFANRHFSA-N 436.874 4.950 30 10 IJEE COc1nc(C/C=C(\C)C/C=C/C(C)=C/[C@@H](C)[C@@H](O)[C@]2(C)O[C@@H]2C)c(C)c(O)c1OC 85556006 CEBWOMXCEYSUQN-NNRGSKSSSA-N 431.573 4.669 30 10 IJEE CCOc1cc(/C=C\C(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)N(C)C 97993112 KLQINHLOYPSVMQ-KTKRTIGZSA-N 427.884 4.848 30 10 IJEE CN1/C(=C/C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)C(C)(C)c2ccccc21 104736969 UVQWHGLMOPXEKY-KOEQRZSOSA-N 439.511 4.955 30 10 IJEE COc1ccc(-c2csc(-n3nc(C)c([C@H](c4ccccc4)C(C#N)C#N)c3O)n2)cc1 105573006 LSTIMFXJXKBSFJ-JOCHJYFZSA-N 441.516 4.814 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2OC)c1 169942576 XQWBEMODGLTNAC-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CCOc1ccc(C2=C(SCc3ccco3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 169996466 MPQWWHBKVPIPSL-UHFFFAOYSA-N 430.485 4.768 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1 170005496 HVPOVRZNSYTVAA-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(C(C)C)cc1 170067961 PBHDMVKKENTZCQ-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccc(O)c2)c1 170079133 SKOSBPAQRLTMOZ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C)o1 170100349 YGBKZHLOTUKFQT-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc(OC)c1OC 170126868 DSZLZLSPKKOSAW-NRFANRHFSA-N 434.492 4.564 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)c(OC)c1 170133407 AIVYGXSLWUUZGO-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)c1 170186955 WMQFADDCOFTYFQ-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccncc2)cc1 170201244 UAVVZIBVWARGIA-HSZRJFAPSA-N 428.488 4.744 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1C 170230831 JQCSDIIMHAXQQT-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2c[nH]c3ccccc23)cc1 170254628 MNIZNWAWJTURQG-HSZRJFAPSA-N 448.519 4.572 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)c1 170258053 YBCPVZFQGPWOPJ-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccco1 170284298 JYULAMBPQZBPEZ-LJQANCHMSA-N 438.823 4.933 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2sccc2C)c1 170315741 JHBJZFDNVXCHQX-AZUAARDMSA-N 441.549 4.603 30 10 IJEE C=CCn1c(-c2sc(NC(=O)[C@@]3(C)CCCc4ccccc43)nc2C)n[nH]c1=S 303397568 ZHGRQPPQSWZEMC-NRFANRHFSA-N 425.583 4.791 30 10 IJEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 426953125 FKLWVVALWBDRML-UHFFFAOYSA-N 431.414 4.588 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 476077682 FSIQAIQLMZMKER-UHFFFAOYSA-N 442.581 4.584 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 502522476 CWYXIXXFOOJQMD-IBVKSMDESA-N 431.536 4.678 30 10 IJEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508959827 HIFBUSRGCYYXDT-UHFFFAOYSA-N 443.551 4.917 30 10 IJEE COc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c(OC)c1 526491824 RUOTVMMANVLNEU-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE COc1ccc([C@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607304 OZTFIFHMJIEVKG-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)c1 526660796 LYIXYHYGYGNYOP-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 549253036 WWVQYZJVRNZONO-NOMHHCBYSA-N 446.595 4.761 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cc4c(s3)CCCCCC4)n2C[C@@H]2CCOC2)CC1 555515498 OKUHOTARNBWQIW-SFHVURJKSA-N 439.629 4.832 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604488044 FBCJFSAFJDOJFA-UHFFFAOYSA-N 429.436 4.874 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 606766266 CWWSPPYVPNIDDW-UHFFFAOYSA-N 446.469 4.613 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H](C)C(C)C)nnc1-c1ccc(Cl)cc1Cl 606804846 BBGXGTGZLRWFDV-CYBMUJFWSA-N 427.401 4.938 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 710404743 NMILNVNNVWITGT-LEAFIULHSA-N 447.623 4.576 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(CC)c1 742213179 DHBNOILXFXBQLW-OAQYLSRUSA-N 437.540 4.762 30 10 IJEE C=CCc1cc(OC)cc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1O 754726506 KEAHUNDCQBKAJX-JOCHJYFZSA-N 426.944 4.731 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(N(C)C(=O)OCC)cc2)CCCN1C(=O)OC(C)(C)C 790489735 VLYBWCDGQPFIPV-QHCPKHFHSA-N 431.533 4.564 30 10 IJEE C=CC[C@@]1(C(=O)N2CC(c3nc4ccccc4s3)C2)CCCN1C(=O)OC(C)(C)C 790764687 BNYOSJLINOOSIE-QHCPKHFHSA-N 427.570 4.568 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cncc3nc(C(F)(F)F)n(C)c23)c1 1125778466 LHAHSMLDVQXPBZ-UHFFFAOYSA-N 440.450 4.877 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)cc1 1136097221 GBBIWPSUFOIHPG-UHFFFAOYSA-N 443.345 4.609 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 1154371643 BNYDRQLOQTWEAU-INIZCTEOSA-N 431.558 4.879 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cccc(C)c2)c1CC 1156599508 YOKLYCVMQRCGOE-IBGZPJMESA-N 426.561 4.931 30 10 IJEE Cc1cc(Br)c2c(c1)CN([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 1169518168 CGJFPQXKQZIMOL-ZDUSSCGKSA-N 432.749 4.668 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(-c2cccc(OC)c2)no1 1178964286 SBTDMNINHBQKHD-UHFFFAOYSA-N 432.398 4.864 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1190207641 BJPPOSIGOPJBES-UHFFFAOYSA-N 435.899 4.903 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)ccc1Cl 1197881456 HRLZGTYHZXHWCF-QGZVFWFLSA-N 443.016 4.720 30 10 IJEE C#Cc1cccc(NC(=O)NCCOc2c(Cl)cc(Br)cc2Cl)c1 1214232084 HQTVFNGFOGCGRO-UHFFFAOYSA-N 428.113 4.938 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)c1ccc(F)c(F)c1 1223434065 VWFIXMZTYKCRGK-GMAHTHKFSA-N 429.511 4.727 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1286333243 ADTOSPKOJHAFEU-IBGZPJMESA-N 433.369 4.944 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286499094 DAQAKXMDNWKKKG-QGZVFWFLSA-N 434.556 4.785 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1286532312 AFCGGRJMKOXCID-RTBURBONSA-N 445.405 4.805 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCOC 1286532941 BEBUSZGXULJMSG-UHFFFAOYSA-N 439.423 4.657 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1286535466 AVEBWWRNCOGVQK-ZDUSSCGKSA-N 434.288 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C)C1 1286554315 XMVKMMOADDAJDK-QRFRQXIXSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC1CCN(Cc2cccs2)CC1 1286581135 GKZFACQYNHKCAL-OAQYLSRUSA-N 443.661 4.548 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1286605833 XNNUPPFYRODVKP-JOCHJYFZSA-N 431.540 4.906 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2Cc2cc(Br)ccc2OC)CC1 1286646366 PRPYZLDTANGVBI-UHFFFAOYSA-N 431.378 4.912 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)cc1SC)C1CC1 1286738002 YQYITJGFRSIIPV-UHFFFAOYSA-N 425.627 4.867 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H]1CCCO[C@H]1C(C)C 1286741456 MXQYTYKSBWJKEH-NOZRDPDXSA-N 435.616 4.992 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1286834176 CCVOUGMDGSSGQG-NHCUHLMSSA-N 426.630 4.835 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 1290479428 SCSUGITUISAGBA-UHFFFAOYSA-N 434.561 4.933 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1OC 1298783920 MWGOFVHNGJCUTB-CSKARUKUSA-N 431.454 4.993 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CCC(C)C 1300424894 OKFQTBJPDIAUIB-FQEVSTJZSA-N 442.608 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(c2ccccn2)CCC1 1300608696 CJTMXIXMOCUSFR-UHFFFAOYSA-N 435.959 4.584 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1301027826 YLWOYTGKDNDMIB-IBGZPJMESA-N 444.366 4.886 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(OC)nc2)CC1 1301096079 VXQJYTQVYWSUEH-UHFFFAOYSA-N 447.583 4.763 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1C[C@H]1C 1301346551 DZDSKXDXYVLDMQ-SJLPKXTDSA-N 440.389 4.895 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](c1cccs1)N(C)C 1301346934 LRXGBTIBCHKXTR-JOCHJYFZSA-N 446.624 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccco1 1301359101 DRPNQGDVUREBPP-UHFFFAOYSA-N 436.537 4.858 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1csc([C@H](C)OC)n1 1301397106 MXAWZXSIRXOLTA-QXAKKESOSA-N 445.633 4.587 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1cscc1C(F)(F)F 1301425241 FBROCOBNPUVASS-UHFFFAOYSA-N 442.532 4.698 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cc(C)cs2)cc1 1301526007 LKDSHDZUPYPDOE-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE C=CCN(Cc1cccc(SC(=O)N(C)C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1307684228 KYZSIJFGONJFEQ-JOCHJYFZSA-N 426.582 4.623 30 10 IJEE CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 1310382070 HIJJKZMGSAKWHB-OAQYLSRUSA-N 441.373 4.930 30 10 IJEE C/C(=C/C1CCC(C)CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1350882599 ACCWNVFYCOLFTN-UARQMEEKSA-N 445.629 4.991 30 10 IJEE C=CCN(C(=O)c1ccc(COC)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1351450785 LSAYTYHNDNYMMQ-UHFFFAOYSA-N 427.457 4.837 30 10 IJEE Cc1cc(F)cc(-n2cc(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)nn2)c1 1354387527 FUCFDDDNDNHIJK-UHFFFAOYSA-N 443.457 4.881 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1ccsc1 1358878153 RQWFIHAVHSPULU-VBURHUQHSA-N 440.638 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1csc(C)c1 1358880523 NUOKEJRMGUZTMT-ZDUSSCGKSA-N 445.386 4.592 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H]1CCCOC1 1358921135 PKRNRVGBMWLDJA-QFIPXVFZSA-N 431.584 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](OCC)C(C)C 1359074949 XZEDKNOYMITJCA-QTDDQOEGSA-N 430.637 4.640 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359083838 SCNGCLRBOLCJPC-CZUORRHYSA-N 434.209 4.864 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359212052 YNFYPMRBLBJHAL-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1359285963 HOXUQAKIWAWYHE-UHFFFAOYSA-N 439.604 4.913 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(OCc2ccccc2)CC1 1359341413 WJJZVOFAMGNWCD-UHFFFAOYSA-N 449.624 4.753 30 10 IJEE C=CC[C@@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC)c1ccc(Cl)c(Cl)c1 1436027680 MDMHUSILCCFANA-ZWKOTPCHSA-N 434.385 4.748 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CS[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 1436749292 XQBXUPDLPWXFKY-WCQYABFASA-N 443.425 4.540 30 10 IJEE C#CCSc1ccc(COC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cc1 1459023496 FXJQTTYHGGSNLB-UHFFFAOYSA-N 433.867 4.941 30 10 IJEE N#Cc1ccc(N2CC[C@H](N3CCC(COc4cc(Cl)cc(Cl)c4)CC3)C2=O)cc1 1459510900 DODIUDUKGHCSQQ-QFIPXVFZSA-N 444.362 4.761 30 10 IJEE C#CCOc1ccc(NC(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1 1465628752 VNRZXYQKXMXPHQ-UHFFFAOYSA-N 437.540 4.648 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1 1467888603 JAVKXSXAAPBCIS-DEOSSOPVSA-N 430.504 4.535 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 1468936777 GBTBNEJNVYJEND-NIYFSFCBSA-N 434.399 4.641 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1 1470600866 GQSNXQBGZGAIKI-HXUWFJFHSA-N 427.932 4.538 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(C(C)C)cc2)nnc1-c1cccs1 1473000335 QGIVPKVVXBABBT-UHFFFAOYSA-N 426.611 4.767 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)c1ccccc1 1479189332 LSCRMWMLPOONCY-DEOSSOPVSA-N 437.559 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(=C)Br 1507522841 GEPPJGZKAHNGSE-KRWDZBQOSA-N 431.378 4.737 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(CC)(CC)OC 1507545954 NMBHZWQERVCVSQ-OAHLLOKOSA-N 439.387 4.827 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1c(C)noc1C 1507555564 SYIRYFKVBPBSET-UHFFFAOYSA-N 428.540 4.846 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1507590881 HRGONGKDSMTBHQ-FPOVZHCZSA-N 441.620 4.575 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCc1csc(C(C)C)n1 1507694303 LHKONSVQXGCSLN-UHFFFAOYSA-N 432.597 4.563 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC(C)(C)CN1CCCC1 1507701129 ZALBJKSMWPDHDQ-UHFFFAOYSA-N 449.574 4.747 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C)=C(Br)C1 1507798281 NMSZQIZZPHKZJX-VQIMIIECSA-N 437.426 4.727 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(OC(F)F)cc2)nnc1C(C)(C)C 1507810737 LULWJRACZOUHGO-HKUYNNGSSA-N 434.531 4.795 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1507822233 YZTCTYGMHUSJCD-RTWAWAEBSA-N 437.588 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)CN1CCCCC1 1507822342 UNRPNWOHUSZGFV-JOCHJYFZSA-N 434.632 4.806 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1507858529 FSDZOXNYBLAGKU-QWHCGFSZSA-N 443.798 4.527 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCCS2)CC1 1507900803 VJCSXEJBLBAVKK-LJQANCHMSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1507915542 CKECDMBDWIBQAB-DHIUTWEWSA-N 438.616 4.960 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507925926 LHIMMEMINVVVCA-QGZVFWFLSA-N 447.986 4.787 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](CCC)C1 1507944521 SRBPKTQXTIUJQQ-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@H](C)N1CCC(C)CC1 1508009023 UFKGYYMNKAWYIS-HXUWFJFHSA-N 425.596 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCCN1CCC(C)CC1 1508012708 CVXIKAGGJCTKEE-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1C1CCCCC1 1508019895 JZUWABMRBGNKAO-XMMPIXPASA-N 437.607 4.984 30 10 IJEE Cc1cc(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)nn1-c1cccc(C#N)c1 1520363003 FSNGOJZGQZWKQE-UHFFFAOYSA-N 440.478 4.701 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 1521612226 OAAXRNDNOIXYDG-UHFFFAOYSA-N 433.416 4.765 30 10 IJEE Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1S(=O)(=O)N1CCCCCC1 1523596352 GJHACFMQLNDEDY-UHFFFAOYSA-N 439.581 4.613 30 10 IJEE C=CCCCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 1524209046 WZHGEZSMBHNRHG-DHLKQENFSA-N 436.552 4.661 30 10 IJEE C=CCc1cc(C(=O)N(CC)[C@@H](C(=O)OCC)c2ccc(Cl)cc2)cc(OC)c1OC 1525560890 CTEMHNLJPBBNLX-OAQYLSRUSA-N 445.943 4.852 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1ccccc1 1525781720 XAKPFMDTABQDQZ-WWCBRRATSA-N 439.581 4.578 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 1526039238 POMSMHONKXGJJR-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(C(F)(F)F)cc1 1526555124 SADBXRUWWPQHCP-LJQANCHMSA-N 441.453 4.799 30 10 IJEE N#CC[C@@H](C(=O)Nc1c(Br)cc(F)cc1Br)c1ccccc1 1526794298 AVIFSOOQCWIVTE-GFCCVEGCSA-N 426.083 4.987 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C 1527931532 GNUBBWCEOVXVQE-UHFFFAOYSA-N 442.531 4.900 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cc1 1534636408 BVYSSVMBNQWFHE-KRWDZBQOSA-N 443.454 4.703 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1ccccc1 1536283120 MXEURBKYEHGICT-REHUZNOOSA-N 440.609 4.791 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CC=CCO1 1539299546 KHXXJQDFSMMPJP-KRWDZBQOSA-N 436.968 4.621 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(CCC)CC2)CC1 1539463011 RBUVONWBKYAHCF-UHFFFAOYSA-N 444.048 4.559 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCCOC2)C1 1539952289 AQLSYAKDGMVNLD-NTKDMRAZSA-N 428.552 4.920 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(OC)C1 1539974924 IOJLHJJQJOTXEI-YADARESESA-N 447.624 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1539991007 VTIYNOJVDBCALP-SFHVURJKSA-N 428.577 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCCn1c(C)nc2ccccc21 1540158471 IQUBKSVQVZUENO-UHFFFAOYSA-N 447.974 4.920 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1540163310 XEYRUZFWSGFFSH-IBGZPJMESA-N 430.499 4.576 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccccc2N2CCCC2)CCCN1C(=O)OC(C)(C)C 1540571054 BIYDKHPNHMFFPP-RUZDIDTESA-N 427.589 4.591 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1cccs1 1540880897 SVHDMISFECUGFC-JOCHJYFZSA-N 438.597 4.873 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)cc1 1543334794 DLESCSDUADPITP-OAQYLSRUSA-N 429.451 4.535 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 1544802419 FFLXNKDGRFJXPP-UHFFFAOYSA-N 434.561 4.667 30 10 IJEE CSC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC#N)CC1CC1 1555823961 CUQRCGDFQDHCDT-UHFFFAOYSA-N 435.601 4.607 30 10 IJEE C#CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)[C@@H]1CCCc2ccccc21 1558542367 UDHUBSXRRNEACN-WMZHIEFXSA-N 447.579 4.953 30 10 IJEE C#CCN(C(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@@H]1CCCc2ccccc21 1558542873 ZAVXIIAMEPDCOQ-RPWUZVMVSA-N 430.548 4.573 30 10 IJEE CC(C)(C)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 1561384896 CPGKAWMGDLWUEI-UHFFFAOYSA-N 433.371 4.760 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cc(OC)c1OC 1563815081 UPDLXCSHOPSUFJ-FQEVSTJZSA-N 443.632 4.618 30 10 IJEE C=CCC1(CNC(=O)NCc2ccc(Cl)cc2I)CCCC1 1564663449 IFPFEXKFGXDODQ-UHFFFAOYSA-N 432.733 4.880 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F 1565341607 LQZGUZIBOMCMAO-PKOBYXMFSA-N 437.284 4.758 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1569207230 BBBFVUHCYPKTRK-RPWUZVMVSA-N 448.563 4.544 30 10 IJEE C=C[C@H](CC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)c1ccccc1 1583221803 FMOXUWMWHGKEFA-GOSISDBHSA-N 431.349 4.592 30 10 IJEE N#Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1Br 1585444586 GFIPDKSIHUEOEU-UHFFFAOYSA-N 444.292 4.821 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@H](C)n1ccc(C)n1)c1ccc2c(c1)OCCO2 1585493237 TVXVHTBYEODMPB-FQEVSTJZSA-N 447.535 4.712 30 10 IJEE C=CCn1c(SCC(=O)N(CC)CCSC)nnc1-c1ccc(Cl)cc1Cl 1585523868 ZBXDOPHCWCKQNV-UHFFFAOYSA-N 445.441 4.742 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1ccccc1 1586031942 TVNSWJLJTFFTFZ-LJAQVGFWSA-N 449.569 4.542 30 10 IJEE Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1586714535 CNLBSELUHZIHGV-IBGZPJMESA-N 430.895 4.574 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(C(C)C)CC1 1588595173 NYSFXFPETRPUNK-SFHVURJKSA-N 426.630 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCCn1nc(C)cc1C 1589151325 XJAIMEFQPMDMQT-ZEQKJWHPSA-N 430.600 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCC(F)(F)CC1 1589171598 LLRNMHHNCRFUPY-OAQYLSRUSA-N 429.471 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)CC 1589207878 RQHVVJZWNUBSFZ-KBMIEXCESA-N 443.636 4.821 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1589395739 ZIIIDLLKQFAUPN-LPHOPBHVSA-N 449.393 4.591 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn2ccc(C)cc2n1 1589600235 YOZFFGZPXDQZAQ-IBGZPJMESA-N 448.546 4.964 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCCCCC1 1593914125 BVOMLZIBZDZSCV-UHFFFAOYSA-N 425.758 4.753 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(OC)C1CC1)C1CC1 1595025861 AKFXMIMHCNKBIY-OAQYLSRUSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCC(F)(F)F)cc1)C1CC1 1595050949 QGETUJFPYKWILK-UHFFFAOYSA-N 443.473 4.793 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C)CC1)C(C)C 1595166477 UBLSERGKPJTBIX-XMMPIXPASA-N 430.600 4.672 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC(F)(F)CO1 1595178905 RPBPAVBQNAFIFZ-RBUKOAKNSA-N 432.515 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)CN1CCCC1 1595196427 SFIFSTWNYUBCAV-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1CC1CCN(CC(F)(F)F)CC1 1595239839 URRYOEIGRSMLFA-UHFFFAOYSA-N 447.549 4.665 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 1595561403 LRYRVRVBEFQEQQ-MRXNPFEDSA-N 449.901 4.741 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1)C(=O)OCC 1596777505 CVVQWKGUAKBPOF-MRXNPFEDSA-N 431.945 4.508 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CCc1ccccn1 1606956871 AJRMBEWKBRAENU-UHFFFAOYSA-N 427.556 4.830 30 10 IJEE Cc1c(C(=O)OCc2cc(F)c(C(F)(F)F)c(F)c2)nnn1Cc1ccc(F)cc1F 1610891024 IFRGNUIIHLJHEC-UHFFFAOYSA-N 447.310 4.567 30 10 IJEE C=CC[C@]1(C(=O)NCc2cccc(Br)c2C)CCCN1C(=O)OC(C)(C)C 1611284249 CNHFTCUDIFFDTP-OAQYLSRUSA-N 437.378 4.720 30 10 IJEE CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1613463563 BOZNCAINPXJNBP-SLSDLSHTSA-N 440.611 4.628 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1OC 1621154142 LRNJXRRFQPITGW-SFHVURJKSA-N 428.960 4.555 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(C2(C)OCCO2)c1 1625538084 BSCODOLCPZOTQM-UHFFFAOYSA-N 447.329 4.555 30 10 IJEE C#Cc1ccc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1 1627416896 PTTNFXVDLPUYGE-RUZDIDTESA-N 429.564 4.997 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1 1627436556 YOGJJYQEZIIXAH-JRPXNJEYSA-N 436.499 4.681 30 10 IJEE C#C[C@H](C)N(C)C(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1634325951 OGBBMHAIGYPHJC-IBGZPJMESA-N 438.527 4.819 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCC2(CCC2)CO1 1638432235 VDQSODNBMVNROA-KRWDZBQOSA-N 425.342 4.635 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)C1 1649591854 GGXPSLZISWHAAC-HSZRJFAPSA-N 435.597 4.802 30 10 IJEE Cc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)n[nH]2)sc2ccc(Br)cc12 1651270362 AFKSQOOSFJCOGM-UHFFFAOYSA-N 438.310 4.881 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CCCC3 1651629660 XZYPWKGEZJOGHV-LJQANCHMSA-N 426.607 4.972 30 10 IJEE Cc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)ccc1C#N 1653804684 HEUMHKZZAUAQAE-AQOAWAETSA-N 440.565 4.611 30 10 IJEE C=CCN(C(=O)CNC(C)(C)CN(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1654646743 QMYSEDPUTNLTBZ-UHFFFAOYSA-N 441.428 4.566 30 10 IJEE N#Cc1cc(F)c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1Br 1654954926 GAEUYSOVYHUNEL-IBGZPJMESA-N 438.728 4.599 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccnc2OCC(F)F)cc1OC 1655943159 PLNMHEYGYXVBNE-UHFFFAOYSA-N 429.261 4.674 30 10 IJEE COc1ccc(CN[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1C#N 1657326910 CWECPRMYSXXZMF-HXUWFJFHSA-N 428.374 4.705 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](Oc2cccc(F)c2)C1 1659820852 HYHDMIJHOJNZPP-CRAIPNDOSA-N 427.545 4.508 30 10 IJEE C=CCCCN(CC)Cc1nc(O)c2cc(Br)cc(Br)c2n1 1660513364 UAACGUJBQKQLIF-UHFFFAOYSA-N 429.156 4.649 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(F)cc1 1661409825 FKXTYVKXWDPJBE-KRWDZBQOSA-N 425.323 4.526 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)c1ccc(F)c(F)c1 1662887126 YCFIPCJYNXQZKF-INIZCTEOSA-N 438.240 4.601 30 10 IJEE COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)c2cccc(CC#N)c2)c1 1667348972 GMZWGAHREFSOFT-RUZDIDTESA-N 434.561 4.640 30 10 IJEE C=CCc1cc(CNC(=O)NCCOc2ccccc2C(C)(C)C)cc(OC)c1OC 1667711343 QEZBKGVAMQWZIE-UHFFFAOYSA-N 426.557 4.608 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@H](CC)Oc2cccc(C(F)(F)F)c2)cc1 1667811508 GCPYOHWHCKKWRA-SFHVURJKSA-N 427.488 4.960 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C)c1ccc(F)cc1 1668447909 OPPPWKXFUOZILM-GOSISDBHSA-N 441.304 4.793 30 10 IJEE O=C(N[C@@H]1COc2cc(F)ccc2C1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1669035523 DOALEVPZXMSSBN-BLLLJJGKSA-N 436.327 4.751 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 1669472596 XXZVMFXVFXJJBI-MRXNPFEDSA-N 438.380 4.948 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)C1 1670058508 GJFQEYAXJKGAOJ-OXJNMPFZSA-N 442.466 4.512 30 10 IJEE C[C@]1(C#N)CCCN(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)C1 1670799784 CQLSXOWEWYQJEE-GOSISDBHSA-N 436.741 4.505 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(C(F)(F)F)cc1 1670826253 BHQSOXNCFPXYBM-RBUKOAKNSA-N 426.479 4.740 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 1670844702 ARTCJJKVPHTZCH-HXUWFJFHSA-N 444.373 4.973 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(Cl)cc1F 1673239713 VEIPUNCRQNLTBI-YCRPNKLZSA-N 427.907 4.731 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C#C)c1ccc(Br)cc1)c1ccc(Br)cc1 1674026071 RBMOWBLLDOOVAB-ROUUACIJSA-N 446.142 4.560 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)C(F)(F)F 1674212951 CABZYZSLNGFRKE-IBGZPJMESA-N 431.393 4.925 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)cc(OC)c1OC 1679036007 CBGQZKGKVVBIDX-UHFFFAOYSA-N 426.513 4.709 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)c1ccc(F)c(F)c1 1680280506 OROPAEORVIGANZ-OYHNWAKOSA-N 435.465 4.949 30 10 IJEE CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 1680809306 GJQVCWZCINTOAS-DHIUTWEWSA-N 426.511 4.788 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 1681546603 NMWJGSGAXJXKHQ-XZOQPEGZSA-N 441.522 4.853 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1)c1ccc(F)c(F)c1 1681778915 HVKLPWGIPVSWHF-UZUQRXQVSA-N 429.511 4.679 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 1682209103 GHZBGWBAYMVITP-UHFFFAOYSA-N 448.567 4.672 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](c3ccccc3)C3(CO)CCC3)c2)s1 1684795163 BEXRGOWXMRMHMN-QHCPKHFHSA-N 431.561 4.990 30 10 IJEE C#C[C@@H](NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc(Cl)cc1F 1686922451 JFVCHZXENMSACI-OAQYLSRUSA-N 442.897 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1c(C)noc1C 1689837231 BLCSDFFMBZGXRH-AWEZNQCLSA-N 435.528 4.924 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCSC(CC)(CC)C1 1689920849 LPUFWKQZQANAMX-UHFFFAOYSA-N 442.629 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1 1690241298 QWOPODWCJJYCLL-LEDOBFOHSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCn1ccnc1C 1690257711 RMOYCMWPMJKHKG-UHFFFAOYSA-N 443.599 4.960 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SCC)C1 1690306792 FINLSHUJBYHEOO-NRFANRHFSA-N 425.602 4.521 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC2(CCCCC2)C1 1690316197 ZYQJPRAZSCGLFT-UHFFFAOYSA-N 445.007 4.655 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1690456024 SHUVUUZHIVQCEO-NRFANRHFSA-N 448.958 4.799 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)C1 1690460184 BOEXIJWNOUYJMP-LJQANCHMSA-N 434.588 4.658 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1c(C)noc1C 1690496157 LEVUMVAICSSNHT-IBGZPJMESA-N 444.580 4.558 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CC 1690569569 JJPPPYMUHQEWRL-JOCHJYFZSA-N 434.563 4.546 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C)c(C)s1 1690605524 NEMVCGAYPPHCOC-UHFFFAOYSA-N 444.564 4.767 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1nccs1 1690611273 GVUWMZRQUJWGEO-KRWDZBQOSA-N 448.596 4.701 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CC)C1CCCC1 1690661678 CYUJLQAYQATEJJ-UHFFFAOYSA-N 444.004 4.884 30 10 IJEE Cc1csc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C#N)CC2)n1 1693317681 CUBLQXCSPUBNKO-ATZDWAIDSA-N 442.633 4.505 30 10 IJEE CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC1(C)C 1696722141 CYPPCGFOLRPKOE-OAHLLOKOSA-N 446.502 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](OC)C(C)C 1705484682 UEOZSEVGUVFWNS-LPHOPBHVSA-N 426.561 4.942 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCC(C)(C)C2CC2)c1 1705506035 YDWIYBXJQBVYME-UHFFFAOYSA-N 445.567 4.729 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1705577909 YCAPGIGENLDMJW-YIXXDRMTSA-N 430.596 4.521 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(SC)CCC1 1705590350 IRGYYLBWUUYLKS-UHFFFAOYSA-N 429.593 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCS1 1705670207 LMIFDBRGIIIXGG-FZKQIMNGSA-N 437.432 4.657 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@H]1C 1705677829 DBVGMLRUMOQVMG-ZQMYSKGWSA-N 445.032 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@@H](C)C1 1705709645 CMKDGFYWVOBLIR-IEBWSBKVSA-N 429.996 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1705719176 NYHAWNDLYHFNRM-LJQANCHMSA-N 447.649 4.882 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC2(CCC2)C[C@@H]1CC 1705730237 FGMVKXUDYUKWOL-KRWDZBQOSA-N 448.409 4.787 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1705784596 BNGAUNSBPMMWIJ-CVDCTZTESA-N 442.579 4.994 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](COC)C1 1705803651 YBJLCYXZHOPIQI-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C1CCCCC1)N(C)C 1705866469 RJSJRANAEIJWRF-UNMCSNQZSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCCC1(C)C 1705869732 CCBWUFNLXGMPJG-UUOWRZLLSA-N 428.552 4.677 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@H](OC)C1 1705942606 YCZYWSDOXABOAQ-JENIJYKNSA-N 446.686 4.912 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccsc1 1722465637 QJIPRBQFAOVIGI-UHFFFAOYSA-N 433.002 4.575 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)C/C(C)=C/c1ccccc1 1722483607 QAXPTHPQVHQACX-APEZIOSESA-N 431.378 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCC[C@H]1CCCCO1 1722498052 MMMCPWHFSJHOPT-ATIYNZHBSA-N 436.600 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1Cc1nc(C(C)C)cs1 1722498377 YLLJADUVSGLOSO-HSZRJFAPSA-N 439.560 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1sccc1Br 1722515110 IDCKQBBLCVUYFR-HNNXBMFYSA-N 425.396 4.794 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722524800 RQFCPLAKVGFTRB-KDOFPFPSSA-N 425.360 4.601 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1ccsc1 1722534634 UOSHCANGEJCXFD-NRFANRHFSA-N 438.597 4.873 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)[C@H](C)CCC)CC1 1722561789 YYBZXQUDHIHWEP-HXUWFJFHSA-N 437.632 4.951 30 10 IJEE C=CCCCCn1c(N2CC[C@H](c3ccccc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722609854 HGKYJKULCUOFCK-NVQXNPDNSA-N 438.616 4.977 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 1722613495 YWUOQSZKZURAFQ-HNNXBMFYSA-N 435.277 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1CCc1cn[nH]c1 1722661300 AGXPRORLTFQVOH-UHFFFAOYSA-N 442.951 4.958 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C)n1 1722673372 PTWLGMFQPCUIHA-DEOSSOPVSA-N 431.584 4.701 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)c1ncc(C)s1 1722678612 UDNDPFICCVCYDS-KRWDZBQOSA-N 448.596 4.701 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCCC2)c(C)o1 1724156566 BCVRRVOHXIBOAP-AREMUKBSSA-N 447.583 4.951 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 1724333354 BGOLJYWLYNWLLO-KJWPAHLWSA-N 439.579 4.785 30 10 IJEE CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1726899295 HNZSELNMMXQXDX-ICSRJNTNSA-N 444.624 4.569 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCc1cnccn1 1740568129 BQHPKAPPKHZVTN-UHFFFAOYSA-N 434.613 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ncc(CC)s1 1740727896 FCYOJPFBFYXBFP-JOCHJYFZSA-N 441.988 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2csc([C@@H](C)OC)n2)CC1 1740819276 KRSJULDSNRMDFB-OAHLLOKOSA-N 429.977 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC2(CC2)C1 1740843680 NKPCJEIHWMYHGX-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCO[C@@H](C)C1 1740894453 UWMIDFBDVVZFPJ-UONOGXRCSA-N 439.785 4.798 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2CCC(OC)CC2)C1 1740973500 YKBDITDWSSOTTE-OQRQZERFSA-N 438.616 4.807 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1C(C)C 1748736032 WKFGECQYBDOXJO-IBGZPJMESA-N 431.378 4.754 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1748753258 BPYOMRZOKSYJIR-QFIPXVFZSA-N 438.959 4.714 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nc(C2CC2)cs1 1748800167 SMWRFMPAMHEVQN-UHFFFAOYSA-N 430.002 4.675 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCC)CCC1 1748835934 NTGPEDUPWXFLMH-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnc1C(C)(C)C 1749139188 CEONMTBLRUSWHW-CTNGQTDRSA-N 441.576 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)(C)C)nc1 1749148752 FDVRPDMFEAPHHS-UHFFFAOYSA-N 430.556 4.840 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CN(C)CCCC)CC1 1749195290 IIVFFDINSJVNCC-UHFFFAOYSA-N 431.575 4.672 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1749297592 HLZVUARQIAQXAT-JOCHJYFZSA-N 437.588 4.709 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](CC)OC)CC1 1749347133 KQVGDBHXMOYTFJ-KRWDZBQOSA-N 439.387 4.991 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749415346 NAJFADFFIVCGNO-UHFFFAOYSA-N 426.870 4.913 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1SC)C1CC1 1749508297 NOCNEPPSGZHEQO-DEOSSOPVSA-N 442.629 4.552 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 1749685555 GOZKXEHLVMKRJS-GOTSBHOMSA-N 438.616 4.733 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC=C(C)C)C1 1749699866 DKYGOHGBGOVKEB-QGZVFWFLSA-N 449.368 4.984 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1749754499 ODGKMAQTSOBBJH-PMACEKPBSA-N 449.020 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1nc(C)cs1 1760106760 GPSJDDFLHOBBBO-UKRRQHHQSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccc(Cl)s1 1760135240 OAHUIKBZRCXVPQ-UHFFFAOYSA-N 445.976 4.551 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1760158206 GMDVGZKYSHALDZ-VQTJNVASSA-N 442.991 4.567 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1760158567 OQAYGNPOICXQCS-XLIONFOSSA-N 443.389 4.802 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 1760352824 YZEWXJNGWKXXMG-GOSISDBHSA-N 425.602 4.988 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2CC(F)(F)Br)CC1 1760391680 NRBUTTJNTIAYJQ-UHFFFAOYSA-N 425.321 4.598 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC2(CCCC2)C1)C(C)C 1760489788 JZYYTCXBSRXSFM-FCHUYYIVSA-N 427.637 4.599 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)cc1 1760500868 BSIFMCBJFYKJNK-LJQANCHMSA-N 426.948 4.702 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCC(C)(F)F 1760502132 OZDBUGTUOYURKV-UHFFFAOYSA-N 447.299 4.531 30 10 IJEE N#Cc1cccc(C(=O)Nc2ncccc2OCC(=O)Nc2cc(Cl)ccc2Cl)c1 1858709400 ADPCXPRKPVFEMF-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861211544 RJAAFJHEVDAGJG-ZEQRLZLVSA-N 429.649 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(O)cc1)c1c(F)cc(F)cc1F 1862457092 HUGQGTSFPRVQRL-NRFANRHFSA-N 439.389 4.588 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862673884 HAGCDWCLSULUMX-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCCOc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862768384 KMRYFGWNDYCWBE-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccs2)C1=O 1863108522 IBDXVJCDVDJISP-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)c1 1863145581 BLZBJQDLEJFCGN-UHFFFAOYSA-N 441.506 4.858 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3cc4cccc(C)c4nc32)n1 1868265296 IBUMZSOPQIGYIB-UHFFFAOYSA-N 436.519 4.832 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1 1868949193 MKIMAZHPHZVZML-HFZDXXHNSA-N 440.534 4.972 30 10 IJEE Cc1cccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)c1C 1870144642 JETJQQLCOXHISY-UHFFFAOYSA-N 439.475 4.566 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1cc(C)ccc1C 1871236979 BGNAOIIZVGGOLD-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 1871349629 UCDYMATUWUPMNL-JJFYIABZSA-N 427.435 4.670 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871382198 NWKGIHWDKSWISZ-HMSZGEISSA-N 444.414 4.847 30 10 IJEE O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 1871434447 SJMMURBNWJYWKC-HOEBFWFUSA-N 449.390 4.796 30 10 IJEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccccc1O 1872725960 DDLWBDOJQQRCOP-UHFFFAOYSA-N 425.513 4.899 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1OC 1872761803 WIKILEKQEVVIID-JKNJVXJCSA-N 435.461 4.625 30 10 IJEE CC(C)(C)c1ccc(C(=O)NCC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 1872775952 DYVROQNOBVWAFE-LJQANCHMSA-N 435.524 4.853 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872788092 CTPINTSTWBQJDS-INIZCTEOSA-N 442.924 4.908 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873272228 GLPRTZRZWYNPRY-XMMPIXPASA-N 449.510 4.596 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(Br)ccc1OC 1873500999 KGBKOUYSIVYANM-SSDVNMTOSA-N 449.349 4.925 30 10 IJEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(O)cc1 1874209428 IMTJVXAOQBPHNQ-FYJGNVAPSA-N 431.359 4.721 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1cn(C)c2ccccc12 1874228048 PSOZCUSHYUTTCK-ZVHZXABRSA-N 433.537 4.518 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874340495 MVKGCAYHXWXDRE-WWJLXRQJSA-N 443.617 4.566 30 10 IJEE CCOc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCC)cc1OCC 1874345223 CHYUGWBBMBNKSZ-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874417174 CCNONMCNMTZGFI-WPWMEQJKSA-N 449.624 4.667 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)Nc1nccs1 1874575090 UXLHMYPWISPALW-MDZDMXLPSA-N 428.897 4.719 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)cc1 1874609396 OTWBKAJQFFRJGP-NTUHNPAUSA-N 446.459 4.825 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1OC 1874634754 RZHKTGZKZBZMAT-XYOKQWHBSA-N 442.508 4.721 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccncc1 1875111221 ZNCKYHIQLJNJOO-KRXBUXKQSA-N 438.277 4.968 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccccc1 1875116692 NNPBRELNYCXROK-MDWZMJQESA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(C)=O)c(OC)c2)cc1Cl 1875186281 NBGMTUGYSFPBJD-GQCTYLIASA-N 439.689 4.941 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](C#N)CC12CC2 1901537258 NYZGIVNIMDLOHR-KOSHJBKYSA-N 443.547 4.598 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(OC)c(Br)c1 1922114620 ZWLHITCXLQWSRO-FCHUYYIVSA-N 434.374 4.632 30 10 IJEE C=CCC1([C@@H](NC)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 1926706916 CSGRJESUSHUDDE-KRWDZBQOSA-N 427.358 4.970 30 10 IJEE Cc1cc(C#N)cc([C@]2(C(=O)O)C[C@@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1952772844 QCRXNHUQWIXCOO-RPLLCQBOSA-N 438.483 4.500 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 2020337544 XZNBTRONGHAUKX-RBUKOAKNSA-N 439.641 4.767 30 10 IJEE CCC[C@H](C#N)C(=O)Nc1cc(Br)c(Br)c(Br)c1 2034335301 RPKIQUJAGIXHQO-SSDOTTSWSA-N 438.945 4.852 30 10 IJEE CN(CCN(Cc1ccccc1)Cc1ccc(C#CCCO)cc1F)Cc1ccccc1 2034753202 VBNQANWGARGZPN-UHFFFAOYSA-N 430.567 4.694 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C)c(C=NO)c2I)c(F)c1F 2079854947 LWGCNVWLSFVOEV-MRXNPFEDSA-N 445.251 4.580 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1O 2079999081 UTBGDIKNVXZGRL-AWEZNQCLSA-N 448.239 4.576 30 10 IJEE N#C[C@]1(Nc2cccc(Br)c2)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156280770 UJTYEMUUHCVDGR-VXKWHMMOSA-N 426.358 4.578 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 2159126359 UIOKDAIWVUHVDN-VQTJNVASSA-N 437.422 4.975 30 10 IJEE Cc1c(Br)ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1C 2180918192 HSVVSGZZJATFBA-KRWDZBQOSA-N 438.366 4.982 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(Br)cc2C#N)CCCC1(C)C 2181105134 HYQIVCNOAPWVFV-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181141484 LWIGJMRHNULHRT-GDBMZVCRSA-N 436.350 4.733 30 10 IJEE C=CCN(CC[C@@H](C#Cc1ccccc1Br)NCCC)C(=O)OC(C)(C)C 2235731763 XLNXMVSSCBIWFY-LJQANCHMSA-N 435.406 4.982 30 10 IJEE C#CC[C@@H](C[C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237402498 LBPJCIUVTAOOPG-IHPCNDPISA-N 435.406 4.652 30 10 IJEE C[C@@]1(Nc2c(Br)cccc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2248978209 DVCWFWFIYRFDKW-OAQYLSRUSA-N 428.330 4.924 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)CC2CCCCC2)n1 2265917805 XMAVVZACCNKOKW-UHFFFAOYSA-N 436.405 4.976 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)CCC2 2267101714 ZSAZKHOFMLSGON-MSOLQXFVSA-N 442.365 4.795 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)SC(=Cc2ccc(OC)cc2OC)C1=O 2297485910 UGYJFYADCJDHDS-UHFFFAOYSA-N 445.924 4.901 30 10 IJEE CCc1ccc(S(=O)(=O)N=C2S[C@H](c3ccccc3)C(=O)N2c2ccccc2)cc1 2314396590 DTDBNDHVRRVYPP-OAQYLSRUSA-N 436.558 4.815 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 2314477318 FFOYBHOIJQCWDR-AREMUKBSSA-N 439.511 4.916 30 10 IJEE CN(Cc1ccccc1)C1(CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CCC1 2317250843 ZNZPPOOGYKVNNY-UHFFFAOYSA-N 441.812 4.501 30 10 IJEE C=CC[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317356394 IQFPLSWDHIWNGJ-SFHVURJKSA-N 430.354 4.574 30 10 IJEE CCOc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 2318584775 PLBSATIYTZKSJG-PZJWPPBQSA-N 447.362 4.525 30 10 IJEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)c(Br)c1OCCCO 2323120178 BYHGKMOCNBRWOT-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccc(OCc3ccccc3)cc2)cnn1-c1ccccc1 2323230083 GPEPVRQSOMXCEV-UHFFFAOYSA-N 430.895 4.911 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OCCCO 2323665830 ASZYXHIPSMVNLT-UHFFFAOYSA-N 431.326 4.844 30 10 IJEE COC(=O)c1sc(NN=Cc2cc(Cl)c(OC)c(OC)c2)nc1-c1ccccc1 2323865104 HDWSMSKZNOHKCK-UHFFFAOYSA-N 431.901 4.713 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCCO 2324407250 PKGOMVJIJSTMHZ-UHFFFAOYSA-N 441.307 4.677 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)Nc1c(F)cccc1F 2325507138 IAPBWUASXILPNC-UHFFFAOYSA-N 425.362 4.738 30 10 IJEE CCOc1ccc(C=Nn2c(COc3c(C)cccc3C)nnc2SCC)cc1OC 2328554000 OJKKQKXDOADMTJ-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2cccnc2)cc1 2328719954 IVGANKLIKINXIK-UHFFFAOYSA-N 447.539 4.998 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc(F)c1 2331319868 VEECCCAJSXMTJZ-UHFFFAOYSA-N 429.496 4.512 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCC(=O)OCCC)cc1 2331356209 ZYZUPJCIJPLWIH-UHFFFAOYSA-N 432.590 4.727 30 10 IJEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)ccc1O 2331436291 OYIHOCKQEJXWMJ-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CCC2)c1 2331541377 UXKXBDGHDYDPKI-UHFFFAOYSA-N 430.574 4.508 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(CC)cc1 2331630546 GBWJRIKXXJSZHG-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339594082 OQNFHGJTSKQSES-IBGZPJMESA-N 446.397 4.902 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339595091 FKCJSENCDHRIJT-UCMOUWFMSA-N 444.381 4.797 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345744503 BULHKFKNFIUNBQ-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CCC(CC)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(OC)c1 5787531 LMHXWKAWPFYCDH-KHUIZHDGSA-N 425.554 4.844 30 10 IJEE O=C(C[C@H]1S/C(=N\C2CCCCC2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 21132953 NZYKYANPAQZNEJ-CQSZACIVSA-N 434.776 4.896 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)o1 23426431 DVJCYEZYRPKUDI-AWEZNQCLSA-N 442.928 4.826 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC)cc1 38592536 FIWJRZUPJGQCPX-HSZRJFAPSA-N 433.504 4.556 30 10 IJEE COCCc1nc2scc(-c3ccc(C)cc3C)c2c(=O)n1Cc1cccc(C#N)c1 96528413 HBPBQKQXUMAKOK-UHFFFAOYSA-N 429.545 4.851 30 10 IJEE O=C1/C(=N/c2cccc(Cl)c2)c2ccccc2N1CN1CCN(c2ccc(F)cc2)CC1 100412433 IRNPZQVGBJPISR-ZZIIXHQDSA-N 448.929 4.726 30 10 IJEE O=[N+]([O-])c1cccc(/C=C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 100501086 PFXRQINBSSZYDY-DXKLOXKNSA-N 433.380 4.941 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 102506128 LDQFAHIFZOKZJH-UGUGFTGJSA-N 428.488 4.805 30 10 IJEE CCOc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1cccc(Cl)c1 169939045 XXTRVRRSEBAEQU-OAQYLSRUSA-N 430.957 4.700 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)cc2)cc1 169957629 HRQSFPWAPUGGIL-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(C)c1 169967259 ZFRKWQBWDOHXAW-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(Cl)c1 170040565 ORTNPFKOYMJWQA-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1 170054300 KNGPQZANEAXMCJ-DEOSSOPVSA-N 438.483 4.955 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12 170073313 LRZOWOIUPLCHHJ-OAQYLSRUSA-N 438.911 4.825 30 10 IJEE CCCOC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)c(C)s3)=C2N)c1 170179373 SPDGHMHQAMPDBE-UHFFFAOYSA-N 447.560 4.710 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(Br)cc4)CC3=O)n2)cc1C 170180369 CHMIWSNDSXBKML-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)cc1C 170187207 BQLGEEAVZSGEPH-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)c1 170200663 DNDMRYGJIROLGZ-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)c1 170200839 OZOXTKAJAFERRN-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)ccc1OC(C)C 170208176 JXCYEDSFANRDMQ-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccncc1 170210389 ISUHFGJZKIYMPI-KRWDZBQOSA-N 435.307 4.775 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170229506 CUFFRFAVFGHLFH-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170250258 RBRINFPIXGNFIU-CVDCTZTESA-N 431.463 4.736 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cn(C)c2ccccc12 170269371 QKBSTTBMQDPSIJ-FYSMJZIKSA-N 444.531 4.880 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1C 170271984 ZDVXVCCYNITCBK-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccco2)ccc1OCC(C)C 170280786 VLQJJTFXHSCGBB-JOCHJYFZSA-N 441.524 4.626 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2ccco2)c1 170285635 XNFFPWOKLIKJFT-QHCPKHFHSA-N 444.487 4.508 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)[C@@H]3c3ccco3)ccc2O1 170290605 XWRWENNJKQYRCN-XUSGNXJCSA-N 437.398 4.664 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccc(C)o1 170305022 JALDGRXSWRXLOU-OAQYLSRUSA-N 448.862 4.905 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)ccc1OC 170441683 LGUPFMZGCAPHDS-QFIPXVFZSA-N 445.462 4.887 30 10 IJEE COc1ccc(Cl)cc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(OC)c2n1 170536962 CFIBTTFVZOBALE-UHFFFAOYSA-N 447.882 4.524 30 10 IJEE Cn1cc([C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 446115664 FIMCLLLOBHNHKG-NSHDSACASA-N 434.262 4.883 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460572352 JALIBYMPHVUZGY-MHZLTWQESA-N 439.563 4.600 30 10 IJEE CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cc(C#N)c(SC)nc1O 478215006 WZCPBGPXAYOSPO-SFHVURJKSA-N 436.581 4.743 30 10 IJEE CC(C)n1c([C@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)nc2ccccc21 506495255 OPQWQOBMVQVCQN-AVRWGWEMSA-N 438.572 4.585 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCC)c([N+](=O)[O-])c1 526803150 QGPHELCSXKYYTN-QRVIBDJDSA-N 443.504 4.851 30 10 IJEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1O 526803864 SDZXWAPRXJEZJN-YSMPRRRNSA-N 448.523 4.897 30 10 IJEE COc1ccccc1[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 578224668 POJYMKFYLMOBTN-HSZRJFAPSA-N 435.531 4.868 30 10 IJEE O=C(C[C@@H]1SC(=NN=C/C=C\c2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 585657516 ZVFZCPZCPHBJJD-LWGYAEQESA-N 447.347 4.609 30 10 IJEE N#CCCCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 586125163 OSUYPPJDLHTTMZ-UHFFFAOYSA-N 427.751 4.597 30 10 IJEE CCOc1ccc([C@H](O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 606657399 PESFUAQVTCAEJX-IAGOWNOFSA-N 425.337 4.735 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](Sc2ccccc2)C(C)C)n1 727164451 PCHKTUIGWKIINL-KRWDZBQOSA-N 445.639 4.556 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c[nH]c2cc(Cl)ccc12 731078415 NHMNFJRWBOFYFX-CYBMUJFWSA-N 427.913 4.869 30 10 IJEE N#C[C@@H]1CN(C(=O)c2oc3ccccc3c2CSCc2ccccc2)CCN1C1CC1 732648668 GYWZNNYYOUWUGC-HXUWFJFHSA-N 431.561 4.679 30 10 IJEE COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)SCc2cc(Cl)ccc2OCC#N)c1 735317820 GFLXJXLXUZNXOG-CABCVRRESA-N 448.972 4.759 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747205008 NQSWFWJLHIYWSD-QGZVFWFLSA-N 433.386 4.700 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC(c3ccccn3)CC2)c1=S 753970462 AKMPBWRUJDUAIH-UHFFFAOYSA-N 435.597 4.720 30 10 IJEE C#Cc1cccc(N(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)Cc2cccs2)c1 761675793 BQXWSVKOGALPDI-UHFFFAOYSA-N 448.569 4.995 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)CCCN1C(=O)OC(C)(C)C 790758079 AUSLCEQZBRKGGE-DEOSSOPVSA-N 438.528 4.862 30 10 IJEE C[C@H](OC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 805593912 HFWAQCQMGQNVOS-QMMMGPOBSA-N 444.381 4.589 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C 806451802 LQWJPRYYCZWJDP-MPGHIAIKSA-N 425.495 4.848 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 807467070 KQJFLYIQNQSBMT-IRLDBZIGSA-N 448.954 4.914 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(Cl)cc1 811921404 BQENALAFZQUMDE-QGZVFWFLSA-N 448.832 4.669 30 10 IJEE CCN1C(=O)COc2ccc(/C(=N/OCc3ccc(Br)cc3F)C3CC3)cc21 821232422 FUKOEYYDRKNQSB-DARPEHSRSA-N 447.304 4.664 30 10 IJEE C=CCc1ccc(OC(=O)CCC(=O)c2cc(Br)ccc2OC)c(OC)c1 916860382 SJWJWUYZRVLEKV-UHFFFAOYSA-N 433.298 4.763 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2cccnc2SCc2cccc(Br)c2)C1 1116539394 UIMUAAWOPIKOFQ-QGZVFWFLSA-N 433.371 4.554 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(Cc2ccc(CC)cc2)C2CC2)nnc1-c1ccco1 1124836842 NFNAGPYTJITEKV-UHFFFAOYSA-N 436.581 4.960 30 10 IJEE CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)n1nnc(-c2ccc(Cl)cc2)n1 1124868059 DHWCBQAYUJWIHS-OAQYLSRUSA-N 436.947 4.501 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(Oc4ccccc4)c(F)c3)cc2C1=O 1125273878 UCUKMBYFKLMYBV-MRXNPFEDSA-N 444.462 4.891 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)Cc2sc(-c3ccn(C)n3)nc2C)c1 1125841809 AUVIPYJWHOJZLC-UHFFFAOYSA-N 426.545 4.609 30 10 IJEE C#Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 1129715298 STNCXIQMEUNZTO-LJQANCHMSA-N 432.442 4.569 30 10 IJEE N#Cc1ccc(CNC(=O)c2cccc(Sc3cccc(Br)c3)n2)cc1F 1129862925 HSBHEHYIFSENJQ-UHFFFAOYSA-N 442.313 4.936 30 10 IJEE C=CCCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1 1132945797 CITFSZUUIKEVMR-OAQYLSRUSA-N 446.638 4.679 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)cc1OC 1136228090 BWZWVTRQJFMDTL-JRVPOQSUSA-N 434.580 4.964 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1138160151 MYRFTPIVENETFG-MBSDFSHPSA-N 431.536 4.709 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 1141726522 PSEQFLMCBXFEBN-YJBOKZPZSA-N 439.394 4.746 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)c1 1141866281 XEYQTPJOMHHMQH-VWLOTQADSA-N 431.557 4.588 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2ccc(Br)cc2F)c1C#N 1160312908 HXHUPHANFWVKLZ-JTQLQIEISA-N 434.334 4.945 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 1160425344 CYRYQXFZHAXLQS-UHFFFAOYSA-N 449.557 4.680 30 10 IJEE C=CCn1c(SCCOc2cccc(C#N)c2)nc2sc3c(c2c1=O)CCCCC3 1187972649 WCBKXABVNCNEDO-UHFFFAOYSA-N 437.590 4.956 30 10 IJEE C#CCN(C(=O)Nc1cc(F)cc(N(C)C)c1)[C@H]1CCOc2ccc(Br)cc21 1219376908 KVKLLJRUQHRISN-IBGZPJMESA-N 446.320 4.645 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 1222334874 UCXIBQNPBXIBND-QGZVFWFLSA-N 449.393 4.782 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccc(OC)cc1)C1CCC1)c1ccc(Br)cc1 1252458293 JKGHTZHHMRZQMY-SFTDATJTSA-N 427.342 4.973 30 10 IJEE C=CCC1(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)cs2)CCCC1 1264818970 ZXWDBKMUDVZCEL-UHFFFAOYSA-N 447.626 4.916 30 10 IJEE C=CCc1cc(CNC(=O)c2csc(-c3c(F)cccc3F)n2)cc(OC)c1OC 1264831053 ICTXJLXSQZMUOI-UHFFFAOYSA-N 430.476 4.764 30 10 IJEE CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)cc1F 1266205308 CXINAZIYAFKQBT-VBKZILBWSA-N 431.870 4.500 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(CC)CC)CC1 1286327557 KAUAZBBJLHYYFW-UHFFFAOYSA-N 428.024 4.636 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)CCC 1286453471 UUKHVEXQDUDFPN-FDDCHVKYSA-N 432.996 4.699 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2ccco2)C1 1286620196 HCIMDCAVQRTVMV-NQIIRXRSSA-N 442.947 4.958 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286630794 UMLIKSUYPHDUEY-SFHVURJKSA-N 444.004 4.779 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC[S@](=O)CC)CC1 1286640331 IHZZYXWZRFEACE-SSEXGKCCSA-N 444.601 4.738 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNC(=O)C(C)C)C1CC1 1286735357 WKCVGRXALIHWGO-UHFFFAOYSA-N 436.387 4.569 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCSC1 1286765160 BJEBINGYUPNHQX-CQSZACIVSA-N 427.401 4.644 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1286770686 IRGCWVBURHFYPM-INIZCTEOSA-N 440.544 4.904 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC1CCCC1 1288505699 BCBXUEDXAQXMDB-KRWDZBQOSA-N 442.995 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@H](C)N1CCCCC1 1300284398 RHHCSGRDLBNQTN-HSALFYBXSA-N 439.673 4.854 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(CC)C1 1300361539 HFIWRXQKQUQVBJ-NBGIEHNGSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C)c(C)s1 1300602819 UJACLVKZXXPYOY-OAHLLOKOSA-N 429.977 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCc1nccs1 1300816748 VAQIAUHZEAUULO-XMMPIXPASA-N 435.597 4.555 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1300830323 FIXOWWDHPKBXCM-OAHLLOKOSA-N 426.362 4.866 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCCc1ccccc1 1300890873 IHUVAELZBFMHBO-VWNXMTODSA-N 436.625 4.981 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1300930836 NIEXJACPILOIJE-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](CC)C1 1300938873 IAKBDGLLBXHOPF-CQSZACIVSA-N 425.371 4.755 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCOC2)CC1 1301105709 MJINPWXROXDAQP-PKOBYXMFSA-N 430.980 4.901 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](OCCOC)C1 1301143629 LXKHFVCESVXBCG-QGZVFWFLSA-N 436.959 4.582 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1c(C)noc1C 1301239799 UNLOFPWEWXWOCU-UHFFFAOYSA-N 446.555 4.636 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C(C)C 1301529259 KGDKBJKHZGVVHH-UHFFFAOYSA-N 444.377 4.884 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCc2ccc(Cl)nc2C1 1301617282 BGVVIJSIPXWNJZ-UHFFFAOYSA-N 440.016 4.594 30 10 IJEE Cc1csc([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)n1 1304616872 CIQPFFCNGXWXCI-OIISXLGYSA-N 442.564 4.864 30 10 IJEE COc1ccc(CN(CCCO)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1 1304790817 DVRZMBWDFMLDFJ-UHFFFAOYSA-N 430.504 4.692 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 1306409137 HWWCIZFHJRTXEG-CEXWTWQISA-N 433.478 4.726 30 10 IJEE C=CCC[C@@H](CO)NC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 1312248385 XACFPLLLUZURNR-KBPBESRZSA-N 438.391 4.568 30 10 IJEE C=CCc1ccc(OC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 1353762881 NAOVMASOUWLKDV-FQEVSTJZSA-N 429.435 4.519 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCCc1nc2c(s1)CCCC2 1358879589 UXCZAKAIDBXMSC-SFHVURJKSA-N 433.625 4.934 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCSc1nccs1 1358939190 RTWAEJCCSLLGAR-HNNXBMFYSA-N 448.017 4.780 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@H](C)C1 1358939512 XYWXPZVGRWJSQH-CEXWTWQISA-N 430.980 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(F)ccc1OC 1358972462 FQTKWQSSUOLCOH-UHFFFAOYSA-N 448.567 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1cnccc1OC 1359108772 COEABQKBNCPVIK-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCOC2(CCCCC2)C1 1359127148 JOTCWCNIHKSIBZ-HSZRJFAPSA-N 438.616 4.952 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](COCC)C1 1359128822 GTPJNSZTAJHCPP-QGZVFWFLSA-N 436.959 4.583 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1359158924 ILUQQKUAPZVBBE-IPJJNNNSSA-N 426.536 4.695 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1359166344 PFTLRLPTMPUIIR-NBGIEHNGSA-N 425.596 4.675 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1COc2ccccc2O1 1359196898 XAZNWKMLILYGHK-DENIHFKCSA-N 426.561 4.542 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1359209685 WDDFNKAWPQAERZ-SFHVURJKSA-N 429.996 4.697 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(Cc2cccs2)CC1 1359217257 UFGPGRAJVFOSTI-UHFFFAOYSA-N 442.032 4.872 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCO1 1359261875 YQKGSXYTSVPIPL-HXUWFJFHSA-N 426.561 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@](C)(O)C(C)C 1359263265 WFZFZMIZAOJJII-QHCPKHFHSA-N 426.586 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCC[C@H](C)C1 1359268252 JREFAQBWUDQMKN-SFHVURJKSA-N 444.421 4.618 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1Br 1360957507 GOMJWIVAAQNZHX-UHFFFAOYSA-N 433.277 4.799 30 10 IJEE Cc1cc(Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H](C)C#N)cc(N2CCCC2)n1 1361073282 GKQXMTLSZAGSHN-KRWDZBQOSA-N 449.990 4.546 30 10 IJEE C=CCOc1ccccc1CNC(=O)COc1ccc2cc(Br)ccc2c1 1435177005 SANPQNOEGSQPQB-UHFFFAOYSA-N 426.310 4.862 30 10 IJEE CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(O)n(C)c2c1 1448183144 YSXKGPUQHNAOOL-SFHVURJKSA-N 432.565 4.861 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 1458178104 XPSZNZWIIRYOQI-UYAOXDASSA-N 437.506 4.757 30 10 IJEE C=CCN(C(=O)/C=C/c1csc(C(F)(F)F)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1459000232 NQVDSVZEXXWXJY-ZGKFYVQTSA-N 437.483 4.969 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)CCc2cccc(OCc3ccccc3)c2)CC1 1462008868 CTXJFLWZZWGZLT-UHFFFAOYSA-N 439.559 4.855 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c(Cl)c1 1464287417 BVJWGCYOZQZEFL-UHFFFAOYSA-N 430.122 4.529 30 10 IJEE CC(C)[C@H](CO)[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(C)C 1465516245 GQMWQVIEGFQEKW-NZQKXSOJSA-N 427.520 4.687 30 10 IJEE CCN(C)C[C@H]1CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1466941273 CKVGTGFBXJTOCW-GFCCVEGCSA-N 429.380 4.782 30 10 IJEE COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3cnc(OC)c(C#N)c3)C2)n1 1467268098 HAECURBXZPHDGU-OAHLLOKOSA-N 449.536 4.505 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 1468842477 AOZMCPXGCJFEJF-HXUWFJFHSA-N 429.358 4.931 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)C1 1469919533 ATLDTYKOKALKBL-CRAIPNDOSA-N 437.378 4.830 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1469960565 QHBABMONDZJHHK-MISYRCLQSA-N 443.316 4.613 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 1472267717 QJUPUMUIRADNIK-UHFFFAOYSA-N 437.477 4.681 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1473233881 AOVTUGAZEMEKOD-RTWAWAEBSA-N 439.991 4.705 30 10 IJEE C#C[C@H]1COCCN1CC(=O)N(Cc1ccccc1)c1nc2ccc([C@@H](C)CC)cc2s1 1473539175 ATLKTWYYVJIYLJ-UGKGYDQZSA-N 447.604 4.677 30 10 IJEE C=C1CCC(CNC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 1479255329 AHIZCNCPOSEBPS-UHFFFAOYSA-N 434.378 4.556 30 10 IJEE C=CCCC(C)(C)NC(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1479508861 RRUPRGLLNNEQPH-UQBPGWFLSA-N 443.588 4.934 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCC1CCCC1 1495817587 AZCHOHYLZDRIAQ-NRFANRHFSA-N 434.632 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1507543783 XTPDDJSYQGJFHB-APTRMMRNSA-N 434.609 4.865 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC(c2ncc(C)s2)CC1 1507571047 ZHVGKPKYEHXHIG-UHFFFAOYSA-N 449.624 4.852 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCC(F)(F)F)CC1CC1 1507580937 IYYJUSYNLPCICP-UHFFFAOYSA-N 442.489 4.713 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(Br)o1 1507591739 RRRNLYXEPZUVLD-UHFFFAOYSA-N 449.299 4.552 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC(C)=C(Br)C1 1507593828 IIBMWHORFBOYLW-UHFFFAOYSA-N 427.390 4.746 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@@H]1OC 1507600896 LGEGNOUQMIHSHA-BJLQDIEVSA-N 430.980 4.573 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1507692368 SAPQUVOVCONLHP-UHFFFAOYSA-N 447.539 4.765 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@H]1C 1507747234 BPYZBAYLKMSYNV-RBUKOAKNSA-N 436.581 4.718 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc2c(c1)OCO2 1507953937 NLEJCZBLFXMFAI-WIYYLYMNSA-N 426.561 4.528 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1508158049 IVVMKPWABGDWPZ-LJQANCHMSA-N 440.592 4.658 30 10 IJEE CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)c1ccsc1 1509154760 GFRJQFOZAXOHPI-RUZDIDTESA-N 447.608 4.611 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1515902160 NIBMQGPQGNKTPA-RBUKOAKNSA-N 439.364 4.542 30 10 IJEE C#C[C@@H](C)N(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1524696907 QDWAAXXGIYZFOP-GOSISDBHSA-N 432.593 4.804 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1sc(N2CCCC2)nc1Cl 1526174542 CACDATQKSUUUKB-GFCCVEGCSA-N 442.894 4.970 30 10 IJEE CCc1c(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)nnn1Cc1ccc(F)cc1 1527162742 BLVMJOLEAKPATK-KBPBESRZSA-N 437.544 4.899 30 10 IJEE C=CCN(C(=O)c1ccccc1CCC(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1529015563 XYTUKJKXKOTCAX-OAQYLSRUSA-N 433.470 4.984 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)cc1 1529655463 UIDQKTSRYFCOIR-UHFFFAOYSA-N 425.485 4.690 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 1529763786 GWRMZMUDGKBZPT-UHFFFAOYSA-N 432.432 4.735 30 10 IJEE C#C[C@H](NC(=O)c1nccc2c(Br)cccc12)c1ccc(Br)cc1 1535483687 QAMSPGZFOAISAS-KRWDZBQOSA-N 444.126 4.864 30 10 IJEE C#CC[C@@]1(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)CCCN1C(=O)OC(C)(C)C 1537431758 KCDWDUAHAIWIAZ-HXOBKFHXSA-N 433.618 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1N(C)CCCC1(C)C 1538972134 JJOGGXDNSKXWDZ-RRPUWOKSSA-N 437.632 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCCC[C@@H]1C 1538974101 RTSVBXDADPXEKR-RTWAWAEBSA-N 430.600 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(F)(F)c1ccccc1 1539649696 BQXUEXNHXUJMOH-JOCHJYFZSA-N 434.531 4.513 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](OC)C1 1539728394 BJCKFZHSFCUTNC-QUCCMNQESA-N 448.995 4.506 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1539778774 HJERCCMVKCHGHZ-IFMALSPDSA-N 428.024 4.885 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1539812530 PZOJVHYJYMXTPZ-UHFFFAOYSA-N 432.981 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1539908848 CFASELZOFOKAQC-RBUKOAKNSA-N 445.970 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1539921265 TXNYSLBAAYMECL-NRFANRHFSA-N 436.579 4.957 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1539929379 UYJJXCKNTCIDME-OAQYLSRUSA-N 438.551 4.674 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1539959955 SBPHYEAVLLWQDR-UHFFFAOYSA-N 439.579 4.669 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1539975409 VEQWUCJBXKJHSU-UXHICEINSA-N 448.514 4.665 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCCC2)CC1 1539982271 SMMIRDGECSNMDA-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](COC)C1 1539986026 RPPVJESKALNKFZ-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCN1C1CCCCC1 1540087092 NPFNYUZWEUCMKX-QHCPKHFHSA-N 437.632 4.893 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 1540101701 LZDVBXGSBBYPJH-SFHVURJKSA-N 439.604 4.823 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 1540303242 XPHRDGCYJISZES-SFHVURJKSA-N 430.895 4.664 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540855700 KXHZRAOQDNFCSO-CQSZACIVSA-N 438.359 4.541 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1540911665 YEIOPBNFBSZECF-ROUUACIJSA-N 448.036 4.556 30 10 IJEE C=CCC1(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CCCC1 1544642040 CSJJZQOZJICZSE-UHFFFAOYSA-N 428.374 4.990 30 10 IJEE C[C@@H](CC(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2)S(=O)(=O)c1ccc(F)cc1 1544832160 BFPRFXHHWSODET-HZSPNIEDSA-N 434.558 4.636 30 10 IJEE CCC[C@@H](Cn1c(CC2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1546916519 AJHNMCYQEVRHCK-DEOSSOPVSA-N 433.600 4.991 30 10 IJEE C=CCOC[C@@H](NC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)C(=O)OC 1556375617 NZPYKELVCDZSSF-QGZVFWFLSA-N 440.348 4.619 30 10 IJEE C=CCn1c(SCC(=O)N(C)C2CCC(C)CC2)nc2sc3c(c2c1=O)CCCC3 1559330668 KEYLYUMTFBBASY-UHFFFAOYSA-N 445.654 4.652 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(F)c(F)c1 1563892012 AWGHXHOEIZPNEG-VXKWHMMOSA-N 449.929 4.608 30 10 IJEE C#C[C@H](NC(=O)NCc1cccnc1Oc1cccc(OC)c1)c1ccc(Cl)cc1F 1564134838 YKVJDAANALJVEP-NRFANRHFSA-N 439.874 4.849 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 1564226829 AMBVNNPZGIMGBP-LJQANCHMSA-N 431.458 4.599 30 10 IJEE C=CC[C@]1(C(=O)OCc2ccc(-n3cccn3)cc2C)CCCN1C(=O)OC(C)(C)C 1583284855 VDOCLSFEOFPAKF-XMMPIXPASA-N 425.529 4.570 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1585119144 DJVJOTTVOHMDAL-OWBHPGMISA-N 442.313 4.667 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCc1csc(C(C)(C)C)n1 1587673585 QKNXMUCBJGBWJG-GOSISDBHSA-N 437.613 4.620 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1594064245 LDCTUGRLOTUZMT-UHFFFAOYSA-N 428.920 4.722 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1594739188 NYWOHPBUNWBJTM-JOCHJYFZSA-N 436.522 4.673 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCCCO1 1595127272 LGFMGCGZJQTGSZ-OAQYLSRUSA-N 435.547 4.939 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1nc(C)cs1 1595234277 NGWLILKTDDUKLS-BHIYHBOVSA-N 429.634 4.944 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](CC)(C(=O)OC(C)(C)C)C1 1598466743 MGTLJNPWWOPPOB-UUOWRZLLSA-N 438.609 4.597 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 1616488084 LBOFLPASJKIKPO-RHSMWYFYSA-N 436.936 4.963 30 10 IJEE CC(C)(C)c1cc(NC(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 1616898699 GUAZJCAFLNZVTG-UHFFFAOYSA-N 439.563 4.769 30 10 IJEE C#CCN(C(=O)c1cc(O)c2ccccc2c1)[C@H]1CCOc2ccc(Br)cc21 1617600673 MZBPDXOAKAHUKY-FQEVSTJZSA-N 436.305 4.907 30 10 IJEE C=C(Cl)CNC(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1618048360 ZRHQHTNWOYILKZ-NRFANRHFSA-N 445.346 4.905 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1)c1ccccc1 1622834097 VJNJBTGICYZVOP-WFXMLNOXSA-N 428.602 4.971 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1ccccc1 1625196721 HJEATSHVBRZMDB-NQIIRXRSSA-N 438.572 4.850 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2)C(=O)OC 1626188449 ZIBXQGOFRUVSCX-QYRZDNMNSA-N 444.918 4.670 30 10 IJEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(CCCC)cc2)C1)[C@@H]1CCCc2ccccc21 1626711403 ZEUZOXGJEZLGQH-ZEQKJWHPSA-N 428.576 4.922 30 10 IJEE COc1ncc(NC(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cc1C#N 1627431326 DVMKHEQRYUWMQF-UHFFFAOYSA-N 443.345 4.791 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4ccc(C)cc4C)CCCC3)n[nH]2)c1C 1628728247 ZZSODFDUWHLYPM-UHFFFAOYSA-N 431.584 4.935 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1F)c1ccc(C(F)(F)F)cc1 1633471770 WAPGHRHDOPAERL-PMACEKPBSA-N 449.448 4.735 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 1635235769 AIDVINVRQOZXNP-FQEVSTJZSA-N 431.577 4.664 30 10 IJEE C#CCN(C(=O)CCc1ccc(-c2ccccc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327685 PTJFTZJHUQAUIK-UHFFFAOYSA-N 436.552 4.741 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 1640328631 GMJFTUHZICVNON-FCHUYYIVSA-N 428.557 4.948 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1 1640738024 JNHUQOLGLYUQOB-UHFFFAOYSA-N 441.984 4.864 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1cc(Br)ccc1OC 1642336351 OLYNGHNXZPHHNI-HNNXBMFYSA-N 437.403 4.554 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)Nc2ccc(SCCN3CCCC3)cc2)c1C#N 1644346890 BNPSGPACDKCZIO-UHFFFAOYSA-N 438.622 4.993 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)C(C)C 1645136031 JBCLDPKRZDJNLN-UHFFFAOYSA-N 426.582 4.622 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 1648691590 BZVGHCFKLZEPKH-QHCPKHFHSA-N 444.579 4.612 30 10 IJEE C=CCC1(NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CCCC1 1649399280 ZYCMTYTVSHTNGG-BJKOFHAPSA-N 442.600 4.602 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CCOCC)CCC1 1649538164 AQCGYKWHHUBGDM-FQEVSTJZSA-N 431.584 4.857 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccccc1 1653397132 REPRNVULQZAUBQ-AREMUKBSSA-N 430.327 4.693 30 10 IJEE Cc1ccc(-c2cnc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)s2)c(C)c1 1661524442 BUTJBFBYWHJIMP-UHFFFAOYSA-N 433.581 4.894 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2ccccc2O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)n1 1664538275 FEHSCVVKIACNBR-AVPJRLCVSA-N 435.612 4.759 30 10 IJEE COCCN(Cc1ccc(C)cc1C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1670182260 CPXGSCPPVIOVBO-UHFFFAOYSA-N 437.931 4.695 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(F)c(Br)c(F)c2)cc(OC)c1OC 1670435598 AZEUBWYZVGUEKC-UHFFFAOYSA-N 441.272 4.795 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCCc1c[nH]c2cccc(Br)c12 1673360831 KKHCSWDBUOAANB-UHFFFAOYSA-N 426.358 4.913 30 10 IJEE C#C[C@@H]1COCCN1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675724370 XUGXUEUVQNYXGV-VQIMIIECSA-N 442.346 4.650 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(Cl)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1679620701 NXBWKZOQWBOGJL-AWEZNQCLSA-N 425.982 4.507 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1681207391 DDRGWFKZDBEAJV-UHFFFAOYSA-N 442.566 4.554 30 10 IJEE Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1683532765 GIDMPQMUHHHPEE-FTJBHMTQSA-N 430.596 4.809 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)NCC3(c4ccc(F)cc4Cl)CCCC3)CCO2)c1 1686201223 BHRYXIILSBKBEM-QFIPXVFZSA-N 441.934 4.946 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1cccc(F)c1)C1CC1 1689915234 ULSZTOGGNGHEFS-UHFFFAOYSA-N 442.336 4.757 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)CC(F)(F)F 1689935670 OTEUXLRILHVIKN-UHFFFAOYSA-N 428.886 4.663 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1689937370 XWCIDIRSSGPOAB-XZOQPEGZSA-N 436.600 4.671 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1690281394 PYLRAXKUFMHMES-SFHVURJKSA-N 442.007 4.650 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1SC 1690488608 QGDWIARJKVHULW-UHFFFAOYSA-N 432.597 4.841 30 10 IJEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1690509838 KWQIRNHPWWAHOZ-UHFFFAOYSA-N 425.335 4.500 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1690540766 ATXQEAQDXAXJIA-UHFFFAOYSA-N 444.486 4.690 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@H]1N(C)CCCC1(C)C 1690553621 AMHZOIOQVPRAMC-JOCHJYFZSA-N 425.621 4.723 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCc2ccccc21)C(C)C 1690581346 PPNIKQOVZVMMGN-XMMPIXPASA-N 430.600 4.676 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1N(C)CCCC1(C)C 1690602313 LRLLWQIRTVOYST-XMMPIXPASA-N 444.627 4.696 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1705478369 AJFXHQWKWRZVLH-VABKMULXSA-N 447.671 4.963 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705519374 IPVQLJIUEJEXFL-NFBKMPQASA-N 434.609 4.895 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OCCC)CC1)c1ccccc1 1705743597 CEFFFPFFZIAULP-XMMPIXPASA-N 431.584 4.763 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCCN2CCCC[C@@H]2C)CC1 1705783599 NCQKNRWDDAKGEN-FQEVSTJZSA-N 427.662 4.987 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2ccc(Cl)nc2C1 1705800817 KMSPTDRIVQXFGP-UHFFFAOYSA-N 438.919 4.821 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705813327 CZQZPLBYRCHUFZ-UHFFFAOYSA-N 449.958 4.761 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1705814444 PPIIHOHDXOXSPG-LJQANCHMSA-N 445.405 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1C(F)(F)F 1705876781 KAIAEQMXJINQRP-UHFFFAOYSA-N 444.505 4.580 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1CC1CC2(CCOCC2)C1 1705876928 OIJWFMKKFMNYQJ-UHFFFAOYSA-N 436.600 4.859 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cccnc1OCCC 1722274838 ADQKHMCXKSKVLZ-TZIWHRDSSA-N 447.583 4.725 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)SC 1722394862 IZAKGJFYRGGLGY-KRWDZBQOSA-N 435.622 4.591 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1722456516 VWCRZUFPPCDTQN-RBUKOAKNSA-N 445.032 4.608 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N(CC)CC 1722493593 JZZYZEDXVDUBLC-KXBFYZLASA-N 449.393 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCSC1 1722495873 IHIXTTMUAAKQBL-KNBMTAEXSA-N 449.020 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H](C)c1ccco1 1722506351 ULURTESVJIUXCM-ROKPMTFOSA-N 436.556 4.937 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1722580114 OVVNOJUKFNLPRH-QHCPKHFHSA-N 425.596 4.855 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCc2ccccc21 1722606635 RSSNRGNDCOBPCI-HXUWFJFHSA-N 435.597 4.750 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@@H]1C(C)C 1722642958 BULCDQHQEKBXDY-GBXCKJPGSA-N 426.605 4.972 30 10 IJEE CCOCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1 1728965170 DGSYWRLYIYMVEJ-UHFFFAOYSA-N 427.618 4.682 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1740587610 PNEAWNPECWJHKY-UPVQGACJSA-N 429.568 4.666 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCOC(C)C 1740649832 FBZLQSJMTQGPCF-FQEVSTJZSA-N 438.641 4.800 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1nc(C)c(C)s1 1740773985 IVUPVOYICNWIOA-FQEVSTJZSA-N 439.585 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@H](F)C1 1740776895 FWAQFGKLBJRESP-OTWHNJEPSA-N 435.588 4.891 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@](C)(OC)C1 1740779312 ADUAZFRSNWGNAX-IBGZPJMESA-N 439.785 4.942 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(CN2CCCCCC2)CC1 1740785752 ZOTDFTSVMRWPOZ-UHFFFAOYSA-N 441.595 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1740843845 RCQCUMYYFNYJLX-QUCCMNQESA-N 442.007 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3sccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740852084 IKVHRZBKSFCCEE-HSZRJFAPSA-N 430.618 4.545 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1740854089 CTWCYAIMRFQVLX-XUZZJYLKSA-N 435.616 4.648 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1740873555 CFBPGFNBURZSKI-VXKWHMMOSA-N 428.552 4.575 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC1CCOCC1 1740893076 WOXOIZLMXQNSRW-UHFFFAOYSA-N 449.599 4.561 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1C 1740923174 FGOZVERWULOXIN-VQTJNVASSA-N 438.597 4.812 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1ncc(CC)s1 1740935121 CDMJQVMPFGRJSD-UHFFFAOYSA-N 444.608 4.951 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1 1740935336 JTXZDCNOVWBGHW-FGZHOGPDSA-N 426.630 4.693 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]1C 1740999011 WCKLYNJGAOIBNG-CQSZACIVSA-N 437.407 4.624 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2C)cn1 1741327552 BINMQXJSRPEBDI-GCJKJVERSA-N 429.572 4.803 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)CC(=C)C 1748703279 MSIAZRYPZYJAPX-UHFFFAOYSA-N 431.378 4.922 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1748913004 NTOWWFPEGUPJCU-OYRHEFFESA-N 444.627 4.629 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1749026720 OOYCZQRQBVPJKE-RTBURBONSA-N 442.629 4.591 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1749120037 ZPQOCLBGMOWXLV-HJOGWXRNSA-N 438.616 4.611 30 10 IJEE COC1CCC(CCn2c(COc3ccc(C)cc3)nnc2N2CCC(C#N)CC2)CC1 1749147309 COYNMHMHTIZRKN-UHFFFAOYSA-N 437.588 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccs1 1749170960 MPDKYELNAFFZQV-HDICACEKSA-N 445.633 4.755 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1749218778 WOMHTDVUYGFEEB-UHFFFAOYSA-N 448.615 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1749358123 FANFVQIHDWHJLT-UHFFFAOYSA-N 437.588 4.848 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749392926 DZDDMTCTSRNSFZ-JOCHJYFZSA-N 442.604 4.960 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1749459527 MDUFIGFXJMMGBS-HXUWFJFHSA-N 426.561 4.656 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)c1nc(C)cs1 1749592652 SRVTZARRHMRZSK-HNNXBMFYSA-N 431.993 4.806 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCCC2)C1 1749692778 AKCHIMNFHVXEJA-PKTZIBPZSA-N 437.632 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCN(CCC)CC2)C1 1749695530 DLJGHQACOUKENM-QFIPXVFZSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2sccc2C)C1 1749696497 UYIWWBFYKVHEJQ-IBGZPJMESA-N 428.989 4.992 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1749746618 JASAAPVZAQFLQC-OALUTQOASA-N 436.984 4.805 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](CC)C1 1760158855 SOGVSDRABUBITH-KRWDZBQOSA-N 431.378 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760317315 DRFXEDYGWLEABZ-RYTRXMBJSA-N 439.560 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760330720 CWQRJUNYRNIFJF-OAQYLSRUSA-N 434.462 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccnc(OC2CCCC2)c1 1760333745 HPXKHBDIQJWEIB-UHFFFAOYSA-N 432.572 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2cccc(C)n2)CC1 1760382882 AGQOSRDTBWGAHY-UHFFFAOYSA-N 438.373 4.810 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nc2ccccc2s1 1760421450 PEGDYDNREOGRAK-UHFFFAOYSA-N 447.568 4.528 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC[C@@H]1C 1760425386 LCYADQJQDLVBHX-OALUTQOASA-N 449.665 4.691 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(COC)CC1 1760446274 MLYCUNITDZVUHW-GOSISDBHSA-N 444.645 4.587 30 10 IJEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1CC1CCC(F)(F)CC1)C1CC1 1760475917 YZSDRMUSJSPJOJ-UHFFFAOYSA-N 432.515 4.846 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H]1N(C)CCCC1(C)C 1760480356 SHJJSCJTERRORW-HSZRJFAPSA-N 434.632 4.661 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1CCOCC1 1760504475 QFGWJQZQBRZIRA-UHFFFAOYSA-N 439.387 4.707 30 10 IJEE CC(C)(C)c1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)s1 1760721322 GQQDOUDNNRZXAR-SFHVURJKSA-N 449.628 4.886 30 10 IJEE Cc1cc(-c2nnc(N3CCC(C#N)CC3)n2CCCC(F)(F)F)c2ccccc2n1 1761676274 DFDGMQXIQCNFHT-UHFFFAOYSA-N 428.462 4.884 30 10 IJEE C/C(C=NN=C1NC(=O)[C@H](CC(=O)c2ccc(Cl)c(C)c2)S1)=C/c1ccccc1 1772760048 MVBWGLILEHMUGD-IXKKHGBJSA-N 425.941 4.898 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(OC)c1OC 1860635062 QHLVCYNNRRILMU-CCEZHUSRSA-N 445.515 4.524 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1ccc(OCCCCCC)cc1 1862135845 PEAOZXWVHCKMAM-JOCHJYFZSA-N 432.630 4.698 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862446286 ONQHYWNJIDZHQZ-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccccc2C)cc1 1862475929 XRKUEXYRLYDGHI-XMMPIXPASA-N 432.564 4.758 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(Cl)c1 1862527363 VZFXEPZRVINHNM-QGZVFWFLSA-N 432.701 4.867 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862553297 SXQNSCKUADHJJO-XMMPIXPASA-N 449.547 4.959 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2F)cc1 1862597364 YXCMFCRPBUXYJB-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862879814 HBWSTTKKCSDQLR-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3cccs3)C2=O)c1 1863408401 HEVLZXXWSYFOCO-UHFFFAOYSA-N 427.529 4.671 30 10 IJEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCOC)C1=O 1863724312 QQSWSYTXAABILL-UHFFFAOYSA-N 427.372 4.670 30 10 IJEE COc1ccc(/C=C/C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)c(OC)c1 1865908832 PHFDUTXENGKPJZ-FMIVXFBMSA-N 426.472 4.767 30 10 IJEE CC(C)[C@H](C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(F)cc1 1866967486 JZWKTSIPXFQATG-ZEQRLZLVSA-N 429.495 4.933 30 10 IJEE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 1866969783 SKJSFANNTXXQJT-LOSJGSFVSA-N 443.522 4.803 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)/C=C/c1cccc(F)c1 1870157585 GCQJFZFTWFYFQQ-NTEUORMPSA-N 439.450 4.509 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CSc2nccn2C)cc1=O 1870259720 FOFCCXPXIRURFV-UHFFFAOYSA-N 441.597 4.977 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(Cc4ccccc4C)CC3)C2=O)o1 1871398765 OXUHMFIUTZYXLX-MYYYXRDXSA-N 444.531 4.536 30 10 IJEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 1871447893 GWGPAPHWYAEZJR-IWIPYMOSSA-N 432.472 4.950 30 10 IJEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616757 DWLYLOHXVQFBDL-UHFFFAOYSA-N 441.668 4.924 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871984463 NQPJTYFODFYFAG-OAQYLSRUSA-N 428.598 4.823 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872789009 WKZXUXAGNMGZKW-OAHLLOKOSA-N 427.869 4.799 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2cccc(OC)c2)C1=O 1873215069 MTTNIMXTTPCEKP-UHFFFAOYSA-N 425.488 4.817 30 10 IJEE CCCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873244170 XHZVUNJPVSAEAU-UHFFFAOYSA-N 427.426 4.748 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(Br)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330962 XULNJIKBPSYRKD-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCCN(CC)CC)ncnc21 1873624460 AFRAZHFOYGUNBC-UHFFFAOYSA-N 448.615 4.921 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(C)cc1 1874211045 JWTJXWWDAMRKSD-MNVTYAKESA-N 445.592 4.653 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(O)c(O)c1 1874252101 GKDBLUJMKXJDJZ-ZVHZXABRSA-N 438.553 4.560 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1cccs1 1874417544 NDXFTWUFESWNRB-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874491658 CLEOTQHTZQPAPM-UFFVCSGVSA-N 429.373 4.711 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cccc(C)c1 1874611360 JPBCDNUSPOURSH-ACCUITESSA-N 431.488 4.926 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(CCO)CCCC 1874644142 HINADRREHBGHAF-XMMPIXPASA-N 443.632 4.567 30 10 IJEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c([N+](=O)[O-])c2)c(C)c1 1875183058 ITLLCKXWYHPXQV-FNORWQNLSA-N 431.448 4.734 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C1CCC1 1875195231 UWOLJANTTABFBI-FMIVXFBMSA-N 440.492 4.713 30 10 IJEE CC(C)[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CN1C(=O)OCc1ccccc1 1892826071 RPLMVUBELCXYJF-HYBUGGRVSA-N 429.561 4.961 30 10 IJEE N#Cc1cccc(C2CC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)C2)c1 1952451232 RCJBMNVQQVWFFA-UHFFFAOYSA-N 438.483 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 1965565557 HUSZNJMZEJJMCW-DYVFJYSZSA-N 438.341 4.686 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1999884575 URYDYPXMKOXSQZ-FDDCHVKYSA-N 431.533 4.728 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 2033306442 KGATVECCEAPSOT-NSISKUIASA-N 445.560 4.974 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2O)cc1 2033814602 XAVHSGAGZSIGTE-OAQYLSRUSA-N 435.501 4.631 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2037224736 QQYKFWLEOCTCRP-GXYVPTEVSA-N 443.544 4.728 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1F 2079025866 QUHUEMXBTWXPMO-KUTSLAHISA-N 449.214 4.680 30 10 IJEE O=C(O)c1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079143258 GNDOHYMPIUKIDN-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(C#N)c1I 2080001627 LKMOPUFZJPKKFQ-HNNXBMFYSA-N 435.309 4.733 30 10 IJEE CC[C@@H](c1ccc(OC)cc1F)n1nc(C(C)(C)C)c(C#N)c1I 2080073350 GVFIOWCGKQQBKF-HNNXBMFYSA-N 441.288 4.804 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2136322102 BDCABIWDVBBQQL-MSOLQXFVSA-N 427.383 4.968 30 10 IJEE C[C@]1(C2CC2)CN(c2cc(Br)c(C#N)cc2F)CCN1Cc1ccccc1 2151099883 GTJLMXYDYFUWCO-JOCHJYFZSA-N 428.349 4.951 30 10 IJEE N#Cc1c(F)cc(Br)cc1Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 2163711695 SVPUBQLCTJFZGT-UHFFFAOYSA-N 434.162 4.521 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3Nc1cc(Br)cc(F)c1C#N 2169560300 OARXZTCBAKTKTM-CKQAUIEASA-N 436.325 4.516 30 10 IJEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCCC1 2180956920 LUPGHZIVYFMVFQ-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE CC1CCC(C#N)(NC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CC1 2181045388 GLVKESMYMJDANX-UHFFFAOYSA-N 436.350 4.998 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](O)(C#Cc3ccccc3Br)C[C@@H]21 2235743724 LXVJHVVNYOPWOT-LZNRXBQRSA-N 434.374 4.731 30 10 IJEE CCN[C@H](CC#CC1CCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251480726 ILPMTVCASHOBCE-DNQXCXABSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2ccc(NC(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)cc21 2267096912 LVDSSVTVTNWBCM-QZTJIDSGSA-N 442.365 4.795 30 10 IJEE O=C(C#Cc1ccccc1Br)c1ccc(Cl)c(I)c1 2268305804 JYFOHTIGLZIBFH-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@H](N)C#Cc1ccccc1Br 2288095795 SWOTYLZUUUKMFZ-LJQANCHMSA-N 435.406 4.945 30 10 IJEE C[C@@H]1CC[C@@](O)(C(=O)C#Cc2cccc(Br)c2)[C@H](OCc2ccccc2)C1 2296219615 QBBLITIJZZXCBE-NLSFWIRASA-N 427.338 4.506 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC1CCC(NC(=O)OC(C)(C)C)CC1 2296227815 SKDSVEQLBBRLNS-LYBXBRPPSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(CC)CCCN1C(=O)OC(C)(C)C 2296265810 BNXZYIOGLMBSQC-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2ccc(Br)cc2)CC2(CCCC2)C1 2296270099 WAANFRQHCANLSQ-SFHVURJKSA-N 434.374 4.779 30 10 IJEE CCN=c1ccc(Br)cc(C(=O)C=Cc2cccc(C(F)(F)F)c2)c1O 2297464315 XKBBATJYPCVQNT-UHFFFAOYSA-N 426.232 4.990 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 2297746710 ZAHFJAYMRVDUQM-NRFANRHFSA-N 443.927 4.585 30 10 IJEE C[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2317347247 VCKSIVFILFPNSB-AONBVXOQSA-N 432.370 4.654 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)c1OC 2321936832 KXYWQDNTHZOFEX-UHFFFAOYSA-N 443.499 4.715 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccc(OC)c2)C4=O)cc1 2321946964 CHBSGWXGBOAOJV-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1sccc1C)C3=O 2322115088 JTYIPRSBXHEUQT-UHFFFAOYSA-N 426.582 4.865 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(S)n1N=Cc1c(O)ccc2ccccc12 2322214675 NDAKCABWPHDQNR-UHFFFAOYSA-N 432.549 4.936 30 10 IJEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)c(OC)c2)c1Br 2323057354 CCYDFBSXFZTAHQ-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE COc1cccc(-c2csc(NN=Cc3ccc(OC)c(O)c3Br)n2)c1 2323858654 YMSJYVBVIJJLDB-UHFFFAOYSA-N 434.315 4.741 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1OC)C2=O 2324091048 QUCBTABPESMKOW-UHFFFAOYSA-N 444.531 4.785 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2324356935 TXKGZDAQLMQRCZ-UHFFFAOYSA-N 445.943 4.775 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)[C@H]1CCCO1 2325751182 LEDDDEJRAMJZTL-GOSISDBHSA-N 449.272 4.577 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1c[nH]c2ccccc12 2326763768 ZYMHMHQRHGAYJA-UHFFFAOYSA-N 433.537 4.673 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2327956752 NUOUSPCYPKWEJQ-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccncc1 2328243692 NQEGREYZHPOAAC-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1OC(C)C 2328501817 KHTMMOKXPNXJTO-UHFFFAOYSA-N 437.525 4.725 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(O)c(OC)c1 2328904717 QXRBLFAQTZYDHU-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(OCC)c1 2329851437 UYESTCJEXOQNLQ-UHFFFAOYSA-N 440.544 4.966 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 2331017797 BGCSJYXJOMBCHV-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2O)cc1C 2331025579 RFUIJDWVNSFXJR-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2O)cc1 2331046308 BPHNJEYBCWGBKE-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)c1 2331046971 LLUMYPMETJSFGG-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(F)(F)F)cc1 2331118872 CRTDGYDXIMBEQI-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccs1 2331175088 RGOLCCOLAFNMFH-UHFFFAOYSA-N 437.550 4.775 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2F)c1C 2331364475 GNFKFLRTSDEATO-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)cc1 2331451285 MGWOBPZGRIAKFO-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)c1OC 2331503808 JMVTWLVMRWEJMY-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C(C)C 2331711398 CTMALQQETWLYGP-MRXNPFEDSA-N 427.599 4.623 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2339199358 ADGJTSDQKLGWRB-WMZOPIPTSA-N 427.383 4.968 30 10 IJEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2339574681 LMKRCRFJKKADGY-PKOBYXMFSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575113 RKTXMJJLNJEZCS-YSSXYYCGSA-N 444.381 4.941 30 10 IJEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1Cc1ccccc1 2339575866 BKRRKRKCVLULID-LCIJNYEZSA-N 433.405 4.825 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2339587617 XFQQGDGTHIJKBA-YLZQISAGSA-N 441.381 4.536 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339593358 DZEVRGHINRLKIA-KAZAESRKSA-N 443.397 4.641 30 10 IJEE CC[C@H]1[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339594996 CZUPYPUHHUHLMQ-LQCDIEKVSA-N 443.397 4.926 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2364628025 DJNZHRGOGJXQSP-MJGOQNOKSA-N 439.394 4.805 30 10 IJEE COc1cc(OCc2cc(I)ccc2Br)ccc1C#N 2367502367 BNWVCJLBUBMDTJ-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 2470828 WLHGTQIAQAACEB-HSZRJFAPSA-N 430.479 4.670 30 10 IJEE O=C(/C(=N\N=C\c1ccccc1I)c1ccccc1)c1ccccc1 3310179 BJJXBRGIOGSDRT-XZIKTUPWSA-N 438.268 4.997 30 10 IJEE COC(=O)N1CCc2c(sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2C#N)C1 9446746 BHSDTAQIIOOJJN-UHFFFAOYSA-N 433.489 4.789 30 10 IJEE O=C1/C(=N/n2c(S)nnc2-c2ccccc2Cl)c2ccccc2N1Cc1ccccc1 59168669 HMXGALPJIHLUKP-NHFJDJAPSA-N 445.935 4.686 30 10 IJEE COc1c(Cl)cc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)c(OC)c1Cl 169938076 ZTXYAXGZGYDNKX-INIZCTEOSA-N 437.348 4.686 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1ccncc1 170022996 KALNFAJERIQONH-QFIPXVFZSA-N 434.879 4.543 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCN(CC)CC2)C1=O 170041306 GPYRJNYZICULOS-UHFFFAOYSA-N 425.617 4.545 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)c1 170054838 XCRYJLQGYBTKIV-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCC2)c1 170145253 MWHZCWKQCKKBIN-HSZRJFAPSA-N 433.504 4.677 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)c1 170221544 ATRGKYGKTGNJQX-VOIUYBSRSA-N 441.483 4.802 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1 170260653 BODBMCZGTOMWLS-QFIPXVFZSA-N 433.460 4.553 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)cc1 170284598 HTEQVCKKJJGRFY-HSZRJFAPSA-N 429.472 4.950 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccco2)cc1Cl 170288442 UGCRCFPFSAOGOO-NRFANRHFSA-N 435.863 4.959 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccco1)c1ccc2c(c1)CCCO2 170290958 YUOLLYDXDLTKIV-OAQYLSRUSA-N 437.398 4.666 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCC)c1 170324111 KQCDUIRLAXRTSN-NRFANRHFSA-N 436.464 4.538 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170359900 BZOGFGQRPHIDBX-XMMPIXPASA-N 442.515 4.934 30 10 IJEE CCCC[C@H](CC)OC(=O)CSc1nnc(N/N=C/c2ccc(N(CC)CC)cc2)[nH]1 253570670 NXWZPDAFHHJRFW-CKMDTHJYSA-N 446.621 4.701 30 10 IJEE COc1cccc(OP(=O)(NN=Cc2ccccc2O)Oc2cccc(OC)c2)c1 263629766 GUZYLAVFIWLXJR-UHFFFAOYSA-N 428.381 4.599 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[nH]2)c1 433855910 WEPOQAUHCOOJCP-UHFFFAOYSA-N 447.539 4.822 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 460560316 UMNWBJWSDSNNRT-KRWDZBQOSA-N 442.560 4.570 30 10 IJEE C=CCN(CCc1ccco1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 496669141 GPSSNHLKCPJPOX-UHFFFAOYSA-N 440.569 4.986 30 10 IJEE COCCc1ccc(Oc2ccc(NC(=O)c3cc(C#N)c(SC)nc3O)cc2)cc1 518157987 BDQZLRYGVKCLRC-UHFFFAOYSA-N 435.505 4.614 30 10 IJEE C=CCOc1ccccc1CNc1ccccc1N1CCN(CCc2ccncc2)CC1 538825100 NJSWFFRKMOYXHO-UHFFFAOYSA-N 428.580 4.623 30 10 IJEE N#Cc1ccc(CNC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)c(F)c1 609229318 FAAHZMZQPFAOOM-OAQYLSRUSA-N 439.284 4.896 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1 619817640 RSKCIZHSRLFEFT-XMMPIXPASA-N 433.581 4.757 30 10 IJEE CN(Cc1ccccc1)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 619820369 WOBCYIWBPVXHSO-SANMLTNESA-N 448.574 4.576 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)COc2ccc(Cl)c(Cl)c2)cc1 744690599 LPKQBDQMXDSLGZ-HNNXBMFYSA-N 435.307 4.559 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 764970189 NGEBRTBTCHBYBW-UHFFFAOYSA-N 445.592 4.948 30 10 IJEE C=CCn1c(SCC(=O)OCC(F)(F)F)nc2scc(-c3ccccc3)c2c1=O 788479853 JSQJJRWWOJZHRK-UHFFFAOYSA-N 440.468 4.509 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC[C@@H](C)F)C2=O)cc1 814704665 XYQKDYOMVRQRJF-FOIQADDNSA-N 441.528 4.598 30 10 IJEE CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2)cc1 1084529796 VWNJPDGTBBSQRC-UHFFFAOYSA-N 425.466 4.545 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Br)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1125726636 QWUAODIQBLVRAN-IBGZPJMESA-N 441.753 4.834 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2c3ccc(Br)cc3nn2C)c1 1125778768 UOJNVBZRVCATEQ-UHFFFAOYSA-N 434.293 4.757 30 10 IJEE Cc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)n2C)c(C#N)cc1N(C)C 1129545342 FIQDZBXKFIBJDW-UHFFFAOYSA-N 437.341 4.953 30 10 IJEE C=CCC(C)(C)C(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 1137517476 LOQDGPJEGHJNGP-UHFFFAOYSA-N 440.547 4.835 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](CC)c2ccccc2)CC1 1148143281 WLTBIGINEMIQAH-VXKWHMMOSA-N 429.605 4.532 30 10 IJEE C=CCC[C@H](NC(=O)CCSc1ncnc2[nH]cnc12)c1ccc(C(F)(F)F)cc1 1151867886 ROQQWFVQXFANJG-HNNXBMFYSA-N 435.475 4.678 30 10 IJEE C=C1CC(C)(C(=O)N(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F)C1 1154713374 KNXTYOIDUGVGHR-UHFFFAOYSA-N 449.285 4.515 30 10 IJEE CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1c(C#N)cnc2c(Cl)cccc12 1162225795 FCCWCPPDYBIGIR-AWEZNQCLSA-N 435.833 4.655 30 10 IJEE C#CC1(O)CCN(c2nc(-c3ccc(OC(F)F)cc3)nc3sc(C)c(C)c23)CC1 1164211837 FPCUOQKJXOWDMO-UHFFFAOYSA-N 429.492 4.541 30 10 IJEE CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1167765640 GVEOQKVEHKELAT-VXKWHMMOSA-N 440.563 4.569 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cc1 1198243153 FXWJJGJULSTKMD-HXUWFJFHSA-N 433.549 4.541 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2COc3ccccc3C2)cc1OCC 1199037925 HFYNODMMFNQCLU-KRWDZBQOSA-N 432.358 4.754 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)c1c(Cl)cccc1Cl 1208089364 FUZACKFPZJTARP-VIFPVBQESA-N 428.117 4.948 30 10 IJEE COC(=O)[C@@]1(C)CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 1214721680 HITDQXWYYJYHOK-XXBNENTESA-N 425.916 4.802 30 10 IJEE N#CCOc1cccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1 1216809202 GAZUBGPOUMQYGJ-IBGZPJMESA-N 429.904 4.512 30 10 IJEE C#CC[C@H](NC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)c1ccccc1 1218690868 ZHNXOSYOBRHHGV-QHCPKHFHSA-N 447.560 4.990 30 10 IJEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccncc2)c1)[C@@H]1CCCc2ccccc21 1224426000 YGSFKJZMPPSHCY-RUZDIDTESA-N 438.531 4.556 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3cc(C)ccc3n2)c(C(=O)OCC)c1C 1264357388 NRPJYWPVMUDXCD-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE C=CCn1c(SCC(=O)NCC2(OC)CCC(C)CC2)nnc1-c1ccc(Cl)cc1 1271382337 RJTOSRCWEGJAQU-UHFFFAOYSA-N 449.020 4.588 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1)C(C)(C)C 1275497454 CYUPYRAVRNGGTK-CUYJMHBOSA-N 432.564 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286440776 LDHRCSARVCEGLN-AWEZNQCLSA-N 443.979 4.827 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C1CCC1 1286510445 SJJJSPZZPOEQAJ-HXUWFJFHSA-N 431.005 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](OC)C(C)C 1286518698 YQUDACYLWTWICQ-YADARESESA-N 426.630 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CC1(SC)CCC1 1286528490 CLFZWSZXCYGPLX-HSZRJFAPSA-N 440.613 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286548794 BUJJRRBETWABTD-OFCAXSSNSA-N 430.980 4.583 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1nccs1)c1ccccc1 1286680626 ZBKUZBWMOOMMLS-NRFANRHFSA-N 430.581 4.717 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286701869 AZHLHHAOPPPPLD-YOEHRIQHSA-N 428.886 4.645 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1286829920 HCUKTSVUQGUBQO-FQEVSTJZSA-N 433.021 4.678 30 10 IJEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)CCO1 1289030598 GHPPKQHSHJLBAP-SFHVURJKSA-N 429.515 4.648 30 10 IJEE C[C@@]1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(CCC#N)CC2CC2)CCCS1 1289050467 AVYCUYBSUQJXMT-QFIPXVFZSA-N 447.555 4.962 30 10 IJEE N#CC[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1 1290096795 BRTFNWFZFJJDGR-IBGZPJMESA-N 439.924 4.777 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1)c1ccccc1 1290683402 MRGZSWJRWFUMGB-QHCPKHFHSA-N 430.552 4.521 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1ccc(Br)cn1 1297274326 UJMHXPWQYZYYLG-NSHDSACASA-N 429.236 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N1CCCC1 1300286406 JSQFXPGAANVSMP-JXFKEZNVSA-N 441.938 4.626 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CCCC 1300441227 HLQCGRFSEJHFED-OAQYLSRUSA-N 439.673 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1C/C=C\CC 1300790890 ZMKAPWHFTZIQDU-GIWCCYDRSA-N 429.362 4.675 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300851398 SFCPROPPGYKJAV-LJQANCHMSA-N 447.421 4.870 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300876565 UATQWWMYYHLLQO-SILPJRIQSA-N 442.579 4.878 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1300970217 LVTNWEVSAOZUSE-SSGKUCQKSA-N 443.680 4.864 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1301075722 OZCPLIWZKUPEES-HSZRJFAPSA-N 426.948 4.872 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)CN2CCCCC2)CC1 1301091750 MQSWKEKXKVQEAH-JOCHJYFZSA-N 437.632 4.752 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@@H](COC)C1 1301202779 QUEUJDXLYFKARD-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1301245995 LFAPUVYRZGZYMA-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccsc1)C1CC1 1301331327 IDYCARUITHNCJS-SFHVURJKSA-N 429.590 4.615 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1301351354 QJMQRDAFGLTREI-FQEVSTJZSA-N 439.579 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1301394163 KFLCLAIZZSTDIU-YKSBVNFPSA-N 448.615 4.536 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCC(F)(F)C1 1301422226 CSFYSKYLSGQTAG-QGZVFWFLSA-N 429.515 4.511 30 10 IJEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1 1305319036 BWGAQGIYMBTNSF-OSPHWJPCSA-N 435.597 4.844 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cc(F)cnc2Cl)cc1OCC 1308420156 ARNICDRJWUZOSG-UHFFFAOYSA-N 429.717 4.890 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccccc1Br)c1ccc(Br)cc1 1312938224 YSDDKUUPHMPXPQ-QGZVFWFLSA-N 436.147 4.728 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 1312961045 VWMQTKDIHXVENY-SANMLTNESA-N 433.552 4.555 30 10 IJEE C#CCC1(NC(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CCOCC1 1313221432 ZHLCXIWDAVSWIF-UHFFFAOYSA-N 434.870 4.782 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCSC1)[C@@H]1CC[C@@H](C)C1 1316077295 IDTHUPMGCSMCDS-KAGYGMCKSA-N 439.629 4.601 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(Cc3cccs3)CCCCC2)cc1 1355508864 OALZIFZIBARPBX-UHFFFAOYSA-N 432.611 4.686 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1357487092 BOYOGSVNTTUKAW-UHFFFAOYSA-N 443.978 4.825 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC1CCCC1 1358879477 RRJPCEWBFFTWRN-QGZVFWFLSA-N 445.405 4.823 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCCC(F)(F)C1 1358953619 COYGQLVYTKOPLO-KRWDZBQOSA-N 434.556 4.864 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)C1CCCCC1 1358972946 YPUHVZSPNUVDQB-UHFFFAOYSA-N 431.628 4.580 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCS1 1358982515 ZUVZMHGFCJFHBE-NRFANRHFSA-N 436.625 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1cccc(C)n1 1359063697 BFDRUWYGJNOZEG-WXVAWEFUSA-N 443.595 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1359094119 XITPRWZPPLIJIX-CIWUYKSXSA-N 445.405 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(CC)C1CC1 1359105014 ITOFLXGAPYSKNA-VGSWGCGISA-N 428.602 4.549 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC 1359128448 UMPVBPYEJCROHB-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359158907 HVWRPMDZKBAINA-DENIHFKCSA-N 441.595 4.834 30 10 IJEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H](C(CC)CC)N(C)C)CC1 1359167860 XIVNARMDEZPWLX-DEOSSOPVSA-N 434.632 4.804 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1359187854 ZJZLFWRPBVRXMX-HZPDHXFCSA-N 438.601 4.526 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359188961 XTRSKKGSZMLVLL-OAQYLSRUSA-N 426.609 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cnn(C)c1C 1359190721 AMAVPAWUATZYJS-UHFFFAOYSA-N 436.604 4.755 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1359203524 QRGREKFUHTUZLY-LEWJYISDSA-N 440.563 4.767 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1359207550 NXNZEVJECXJYEF-HXUWFJFHSA-N 443.542 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1359235842 PDWFBNUNFBWGRZ-RBUKOAKNSA-N 428.577 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1cnccc1OC 1359263730 KBFBDOYGIMSOID-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)NCC1CC1 1359267577 LHWIDSIPURWFMI-UHFFFAOYSA-N 441.988 4.518 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1359285626 WNELULAIZUGMLU-OAHLLOKOSA-N 449.502 4.999 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CC)CC1 1359293579 UOKIVTHNYJUUBY-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE COc1ccccc1-c1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)s1 1435858372 FVCUOPFDFRCDQY-UHFFFAOYSA-N 428.517 4.626 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(CC)C2CCCCC2)nc2sc(C)c(C)c2c1=O 1458823361 HAULPHZRSASPPI-INIZCTEOSA-N 433.643 4.923 30 10 IJEE CCOC(=O)c1c(NC(=O)COc2ccc(C#N)c(F)c2)sc(C)c1C[C@@H](C)CC 1458946500 DESQXMIRHRXUGY-ZDUSSCGKSA-N 432.517 4.850 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2C)CCCN1C(=O)OC(C)(C)C 1459013515 BGPAIXSHZQGCBD-NRFANRHFSA-N 426.479 4.976 30 10 IJEE C#CCN(Cc1ccccc1)[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1460069809 IRGRKYKQFDCALJ-NRFANRHFSA-N 425.370 4.697 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)n(-c2ccccc2Br)n1)c1ccc(Cl)cc1F 1460802006 NMHLXKHZMHATCZ-QGZVFWFLSA-N 446.707 4.840 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 1463922232 SWOIABHDEOTDOG-NZQKXSOJSA-N 432.520 4.945 30 10 IJEE N#Cc1cccc(NC(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c1 1465139563 ATSYQWNPWNEMLT-UHFFFAOYSA-N 430.693 4.863 30 10 IJEE CC1CCC(O)(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 1465525691 ACULGHSBSAGUSD-UHFFFAOYSA-N 427.932 4.853 30 10 IJEE C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1468188288 BDIBWOBQLXJGIZ-GOSISDBHSA-N 445.567 4.523 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1471019927 MNRHXYMTCFGVTK-QAKNJHSXSA-N 431.552 4.700 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1nc2c(s1)C[C@H](C)CC2 1472391672 YVKFBEJYPCNVIJ-AEFFLSMTSA-N 435.634 4.866 30 10 IJEE CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 1473453258 FAXFHXQLNZOJLG-UHFFFAOYSA-N 441.522 4.507 30 10 IJEE C=CCCC1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CCCC1 1478967219 HTEZQXLMCDIONZ-MEMLXQNLSA-N 429.561 4.937 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCOC1 1507517631 QVUROCCCJVPWAG-IPMKNSEASA-N 430.980 4.573 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1cccc(C)n1 1507525019 YIYGHCNTAVJQFB-MJGOQNOKSA-N 433.625 4.926 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)N(CC)CC)CC1 1507882772 WHBKPEIDWHJUKK-IFMALSPDSA-N 425.621 4.922 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1507943497 YYXVQBQEWBDMJA-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(F)c1F 1508014717 DHPMJOLTUZHZFI-UHFFFAOYSA-N 448.315 4.735 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)N(C)C 1508019589 HANBADAKRWIQEP-DNVJHFABSA-N 437.632 4.678 30 10 IJEE CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1508914576 GJSDOKKLPVLASL-UHFFFAOYSA-N 434.491 4.628 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccc(Br)cc2c1 1515568235 AQNSMGQDLZEFST-UHFFFAOYSA-N 436.353 4.678 30 10 IJEE C=CCN(C(=O)COc1cc(C)c(Cl)c(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1516155586 KLGHZJRTIUZLHZ-NRFANRHFSA-N 429.944 4.525 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1OC 1521369371 AWBUSMWYKPZNRQ-SQFISAMPSA-N 442.515 4.842 30 10 IJEE C=CCOc1ccc(COC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1 1521577954 IUYSXCJTISXDKF-UHFFFAOYSA-N 429.451 4.995 30 10 IJEE C#CCN(C(=O)CSCc1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1521819901 WAFCKCQUSQDBJN-LJQANCHMSA-N 448.357 4.807 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1521820113 XQSCSFBZEWIOSU-TXUZILRVSA-N 428.301 4.977 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)c2cnc(Cc3ccccc3F)s2)c1 1524682470 DDHGADFZOIXSPR-UHFFFAOYSA-N 431.286 4.864 30 10 IJEE C=CCC1(CNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)CCCC1 1525699605 ZOXJMHFRGWLENO-UHFFFAOYSA-N 433.474 4.943 30 10 IJEE CCn1ncc(Cl)c1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1526719494 HBCLRGOKCUIRBD-UHFFFAOYSA-N 439.850 4.746 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(Cl)cc1 1528475360 UNWDZFVOZRHXKR-OAHLLOKOSA-N 430.072 4.702 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)nnc1-c1ccco1 1529488162 AOKVUUHJHYNRIW-KRWDZBQOSA-N 448.552 4.651 30 10 IJEE Cc1nc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)sc1Cc1ccc(F)cc1F 1530727906 CBMHVYRJOONXIX-HXUWFJFHSA-N 438.503 4.800 30 10 IJEE Cc1ccc(O[C@@H](C)CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 1532867014 CCWZRECWBIZYJN-SFHVURJKSA-N 425.960 4.710 30 10 IJEE CC[C@@H](CNC(=O)c1ccc(Br)cc1C#N)Oc1ccccc1C(F)(F)F 1533917750 DRDBYYDYBCHOHD-AWEZNQCLSA-N 441.247 4.927 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1537317087 LMTQVYZTTRXWEM-HYBUGGRVSA-N 437.580 4.940 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1ccccc1 1537430649 LLYZOANNKXFDRQ-JOCHJYFZSA-N 442.519 4.656 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1)c1ccccc1 1537974271 DOIOMOXTLCIFRL-ATIYNZHBSA-N 448.607 4.827 30 10 IJEE C#CCOc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)cc1 1539438858 DFJOUJMXKKCDQV-UHFFFAOYSA-N 435.545 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cccc(Br)c2)nnc1C(C)(C)C 1539640102 DPFWOWHSQZURPD-MJGOQNOKSA-N 447.421 4.956 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCC 1539645548 QZKCIHZBAPPJAK-FOIQADDNSA-N 439.387 4.991 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(CC)cc1)OCC 1539702967 SUEHPTFDBQXHQM-VXKWHMMOSA-N 430.589 4.741 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Br)s1 1539723539 TYEGJSYTMUDJCY-GFCCVEGCSA-N 441.305 4.865 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1539750439 OQMAYYURVPCRQH-UHFFFAOYSA-N 426.605 4.852 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2ccccc2)CC1 1539836599 XHBYDUIHVCMODM-UHFFFAOYSA-N 426.362 4.825 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(=O)NC(C)C)CC1 1539875750 VKXQXQUAUNWZFH-UHFFFAOYSA-N 444.004 4.740 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](OCCC)CC1)c1ccccc1 1539939779 KELQKXVCJHNTOP-SGNDLWITSA-N 438.616 4.927 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1539953975 QVJMEDALEVPXQJ-FQEVSTJZSA-N 448.340 4.514 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1 1540029542 URWBQDYUPOSKFF-HXUWFJFHSA-N 426.605 4.698 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)C(F)(F)F)cc1 1540105894 AEJZMHOJHGVQKH-HSALFYBXSA-N 431.410 4.520 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1cnccc1OC 1540147443 LRUBRYSTSBNLCT-UHFFFAOYSA-N 437.594 4.636 30 10 IJEE C=CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(C)c(Br)c1 1540861172 FQBXWDBDPPEWAA-OAHLLOKOSA-N 435.276 4.722 30 10 IJEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC)(CC)C1 1540875163 CTFAYVWKLJVCGT-UHFFFAOYSA-N 448.036 4.543 30 10 IJEE CC1(C)C[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@](C)(C#N)C1 1541987854 GXEIWTCYOSEBLW-YJYMSZOUSA-N 434.407 4.945 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccccc3)c3ccc(OC)cc3)n[nH]2)c1C 1543117658 IGOYPEVJIPMFRA-UHFFFAOYSA-N 441.535 4.932 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)OCC 1543332303 GXCHKHFVCIGVLT-LJQANCHMSA-N 440.924 4.590 30 10 IJEE C#Cc1ccc(CNC(=O)C[C@@H](C)CCc2ccc(I)cc2)cc1 1544038515 LRGYHLHCMUOXIJ-INIZCTEOSA-N 431.317 4.548 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl 1545595451 HLBNBTZPMCXSLL-SZNDQCEHSA-N 446.334 4.596 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1)C1CCCC1 1547351557 HBEYIVUJJPVGMM-SFTDATJTSA-N 434.632 4.954 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)c1ncc(C)s1 1555894188 HTQVHXBZEGYQCE-KXBFYZLASA-N 438.626 4.717 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 1556571952 DUOHFBBVPPIWKY-IEBWSBKVSA-N 438.490 4.718 30 10 IJEE C=CCn1c(SCc2c(C(=O)OC)oc3ccccc23)nnc1-c1cccc(OC)c1 1559381562 XWVXAXSUOFEJBJ-UHFFFAOYSA-N 435.505 4.965 30 10 IJEE Cc1ccc(C[C@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 1559537607 ARNQECKRKALQRA-JOCHJYFZSA-N 430.552 4.572 30 10 IJEE C#CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1559544949 LPDVQDWOHMPULA-SFHVURJKSA-N 435.705 4.970 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 1565277772 XPSIPTFSMCXPEV-PMACEKPBSA-N 439.522 4.916 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc21 1585547201 UNDNWZKSFOAFOT-OAQYLSRUSA-N 445.350 4.541 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(CCOc2ccccc2)CC1 1586969090 GHHFCYIORPXVMN-UHFFFAOYSA-N 443.572 4.546 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCCc1nc(C)cs1 1587916053 ZOBIEUIALOEKHU-HXUWFJFHSA-N 437.613 4.892 30 10 IJEE C=C(CC(C)C)C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1588118511 IAHWDUOYJRHHHV-GDNBJRDFSA-N 427.353 4.748 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(C)(C)C)C1 1588983666 BICSNPQANHDJGZ-MSOLQXFVSA-N 430.593 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCCCN1CCCCC1 1589185568 CBYUYKFZLOPHAQ-AREMUKBSSA-N 435.616 4.602 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)CCSC 1593666556 GYLBQYOJXRNNGY-OAHLLOKOSA-N 439.423 4.774 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccco1 1593826883 RSCHMKTVAUMBTL-INIZCTEOSA-N 444.919 4.658 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CSCCS2)CC1 1594064937 VMDYDQFNIDBJGD-MRXNPFEDSA-N 437.034 4.612 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN(CC)C2CC2)CC1 1594133901 GNLFCRDVYPHJKR-UHFFFAOYSA-N 432.037 4.865 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2CCCCC2)CC1 1594208067 AMKKTSZHJZGRTA-UHFFFAOYSA-N 429.012 4.660 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C(F)(F)F)CC1 1594430488 NDWQEZCGNFIPCZ-UHFFFAOYSA-N 426.458 4.987 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1OCCC1(C)C 1594560234 ZRDDPBPUDVHACN-FGZHOGPDSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1594590935 FRPKGTXQQABTSE-OAQYLSRUSA-N 435.616 4.776 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCn2ccnc21 1595178316 IZGOAEHYAGRJQE-OALUTQOASA-N 436.535 4.510 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCC(F)(F)C2)C1 1595743477 BJSBJSJPJWGSBU-TZIWHRDSSA-N 446.542 4.691 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1595884854 VLBBMDNBBLFJEL-NHCUHLMSSA-N 433.710 4.877 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1596886948 TVDALGZKXQANKY-UHFFFAOYSA-N 437.297 4.632 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH]c3c(CC)cccc23)CC1 1597024325 GRNCHVTWPFJSFZ-JOCHJYFZSA-N 437.584 4.743 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 1597191586 VHWJCWWXLZXUMV-FUPPJEDESA-N 444.497 4.919 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1602995614 FGPKBGZDNJZCJP-LJQANCHMSA-N 440.473 4.904 30 10 IJEE C#CCN(CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1)C(=O)OC(C)(C)C 1611017920 UJGUFNCFUJHYAT-UHFFFAOYSA-N 439.383 4.792 30 10 IJEE CC[C@@H](C)[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1613122882 FCPACHZYMCRHCC-ZHRRBRCNSA-N 448.036 4.761 30 10 IJEE CCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)o1 1613861825 FFTWHULDKOTEKW-UHFFFAOYSA-N 445.354 4.899 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)C(C)C 1615884301 VEDOBJBITWUUCL-JQSUATBKSA-N 447.664 4.521 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1Br 1621666528 GJAYWKZPIZZUSE-MRXNPFEDSA-N 443.725 4.639 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 1621675917 HRAWBQVNZJIXAP-GOSISDBHSA-N 437.334 4.588 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 1622699227 QGYWCBWLHGJZHQ-AUUYWEPGSA-N 432.318 4.739 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(COCCOC(C)C)c1)c1ccc(Br)cc1 1623004689 IYDVHMXUGSVSJF-OAQYLSRUSA-N 445.357 4.887 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3)c1ccc(Cl)cc1F 1623045439 PIWSTSRCRNDKDB-LLVKDONJSA-N 439.802 4.906 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 1623484008 DWPMAZNCPPXHQM-UHFFFAOYSA-N 428.330 4.915 30 10 IJEE COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N[C@@H]2CC[C@H](C#N)C2)s1 1627125226 GMNPSJUOELRGHK-FUHWJXTLSA-N 432.549 4.913 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CCC(=O)c1ccc(I)cc1 1627841688 WYQWQFCQKHQJRJ-UHFFFAOYSA-N 439.337 4.849 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCCN1C(=O)OC(C)(C)C 1628608935 QQFZSLSZRIOJOC-AREMUKBSSA-N 441.616 4.885 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1 1628900280 CSBVLKDWEXOCGM-MRXNPFEDSA-N 431.895 4.856 30 10 IJEE C[C@H](CCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 1632678433 FJWNRECASSEEDL-QGZVFWFLSA-N 430.474 4.602 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633894621 DLKAXFTZPXIMJW-FQRUVTKNSA-N 442.559 4.732 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1634040038 NXGJVCNTEDAMFF-CABCVRRESA-N 436.833 4.505 30 10 IJEE C=C(C)[C@@H](NC(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(F)c(F)c1 1634438283 AJUAELICPDGBJI-LJQANCHMSA-N 425.401 4.789 30 10 IJEE C#C[C@H](CCC)NC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 1636563083 SCAISVRIILBVAA-IEBWSBKVSA-N 439.419 4.537 30 10 IJEE C#C[C@H](NC(=O)c1ccc(F)cc1NC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 1637296763 LPMGTWHNHHKJKL-NRFANRHFSA-N 436.870 4.844 30 10 IJEE C#C[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2nc1O)c1ccc(Br)cc1 1637663309 PMRFKGLIXXQBDS-INIZCTEOSA-N 449.226 4.826 30 10 IJEE C#CCN(C(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C 1638980750 GXIFAENZIRWATM-NRFANRHFSA-N 444.575 4.908 30 10 IJEE C=CCn1c(SCCCN2CCN(c3ccccc3)CC2)nnc1-c1ccc(C)cc1 1641019828 WZCKOLOKPBJYPY-UHFFFAOYSA-N 433.625 4.744 30 10 IJEE C#CCN(Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1)[C@H]1CCCc2ccccc21 1644647544 PHVDIVMBLKNAFG-QFIPXVFZSA-N 430.577 4.866 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CC1 1644856593 KRNLHVDFZLAVQG-RZDIXWSQSA-N 425.326 4.623 30 10 IJEE C=CCn1c(SCC(=O)COc2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O 1656058234 PRACZTWYAKDBDK-UHFFFAOYSA-N 434.970 4.654 30 10 IJEE C#CCN(Cc1ccc([Si](C)(C)C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1657340605 VBGXENJWZQPPKG-OAQYLSRUSA-N 428.446 4.953 30 10 IJEE C#CCN(C(=O)Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCCc2ccccc21 1657728375 FPPRPKXWAMENAI-LJQANCHMSA-N 441.325 4.765 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cc1 1659215686 LGMAWVLHEAYMFT-UHFFFAOYSA-N 439.302 4.944 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCSc2ccc(Cl)cc21 1661755801 BZOYFDDJCQNQJL-CQSZACIVSA-N 432.876 4.746 30 10 IJEE CCN(CC)[C@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1cccc(OC)c1 1666148562 GUFGIZFZVNOJJF-RUZDIDTESA-N 434.584 4.539 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1668911978 SBFVRLDOQVGZHA-XUZZJYLKSA-N 440.609 4.937 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccc(Cl)cc1F 1670880243 OGAFJHGCSPWQRZ-CQSZACIVSA-N 440.656 4.954 30 10 IJEE C=CCCCCCCCNC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1673406214 NQWYGGKGCUZXSG-IAGOWNOFSA-N 435.531 4.858 30 10 IJEE C=CC(C)(C)CNC(=O)Nc1cc(Br)cc(I)c1C 1673499208 LCSDXLPBJMAXHW-UHFFFAOYSA-N 437.119 4.696 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@H](C)[C@H]3CCNC(=O)OC(C)(C)C)cc21 1675098130 COIXLINDKJNXON-FXAWDEMLSA-N 441.576 4.770 30 10 IJEE C[C@@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1nc(-c2ccccc2)cs1 1678705898 ASWYWWYCTJWSRZ-QGZVFWFLSA-N 431.565 4.711 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1COc2cccc(Br)c2C1)c1ccc(F)c(F)c1 1680284346 MKJIKJXMXDYGKC-DJJJIMSYSA-N 437.284 4.647 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 1682577650 CZZYOJYHGJJBDX-XLSPSMHOSA-N 433.390 4.990 30 10 IJEE C=CCCSCCNC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1683691883 PIYFFIWZBGRPDG-IBGZPJMESA-N 439.666 4.755 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12 1684552430 DOPAXDNIBZMGRP-UHFFFAOYSA-N 448.473 4.844 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1685548352 KMANHZYEQGNISH-SFHLNBCPSA-N 429.333 4.872 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC=C(COC)CC1 1689876769 IPBVHUSVWWAUGH-SFHVURJKSA-N 428.964 4.658 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCC1CCOCC1 1689938620 QTZLNLGKYWCLRH-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CCOC 1689945484 FFSXKYUOTSVJOC-GOSISDBHSA-N 432.996 4.820 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1690090118 WSXUOROEMHSNBC-NHCUHLMSSA-N 437.607 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCC[C@H]1C 1690198383 MFSOLPQQDMVTPU-OPAMFIHVSA-N 432.399 4.728 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NC2CCCCC2)CC1 1690404361 AQNMLZWIUYZSOU-UHFFFAOYSA-N 445.970 4.589 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1690449506 IYLRGSVTFOSBCB-UHFFFAOYSA-N 444.583 4.664 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1690466959 HLJZHCIBUJNAMA-UHFFFAOYSA-N 427.637 4.739 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1690473840 ISYZFZWSEYWBTH-FQEVSTJZSA-N 432.515 4.800 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1690487767 FHBTUFRJARTCJX-UHFFFAOYSA-N 436.991 4.964 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nc(C(C)C)cs1)C1CC1 1690541081 MISHGHHFXSCCRF-UHFFFAOYSA-N 439.585 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H](C)c1c(C)noc1C 1690579368 KKQUQIBORJOIIQ-QGZVFWFLSA-N 448.596 4.927 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1690581561 ULSKIEVVDHDAHK-BVAGGSTKSA-N 432.616 4.774 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)CC(C)(C)C1 1693830667 GFNHKVDQTOECLU-INIZCTEOSA-N 435.494 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@H]1CCCCO1 1705483130 NYIIKSITJWLSRE-LSDHHAIUSA-N 437.407 4.576 30 10 IJEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1=CCCCC1 1705588629 CMPLGJXMQCYKPV-UHFFFAOYSA-N 429.568 4.501 30 10 IJEE C=CCCCCn1c(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)nnc1C(C)(C)C 1705809062 HAMVIXMHRFFRSS-UHFFFAOYSA-N 442.583 4.862 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1705816046 SJBHCICISVKNCC-FQEVSTJZSA-N 443.473 4.903 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CC[C@@H]21 1705817822 TVOSAJJKODPRHQ-QUCCMNQESA-N 429.609 4.738 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1705818028 YKZIKORZLTUOQJ-YLJYHZDGSA-N 434.943 4.509 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CCOC)C1CC1 1705856102 FYCITNBEHCDOLP-IBGZPJMESA-N 447.624 4.568 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(SCC)c1 1705871642 RDRPIVXMDNAIDB-UHFFFAOYSA-N 426.977 4.727 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC[C@@H]1OC 1705882379 VJBRTAGEQFRSFI-BJLQDIEVSA-N 444.645 4.585 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(F)F)C1 1705913657 UOJNLVBICLOUBK-QUCCMNQESA-N 432.515 4.614 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1ncc(C)s1 1722282141 XEVAEMBMOYADHA-RDJZCZTQSA-N 430.581 4.828 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722312280 AXSRSCMBMFJDSX-UHFFFAOYSA-N 438.963 4.652 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2CCC[C@H]21 1722327625 ROFFIYSWTQSNQA-CRAIPNDOSA-N 429.362 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1722389094 PLTVKWYSNFCDSH-YESZJQIVSA-N 443.414 4.668 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1722392219 BXWBEABMOWFSLQ-XUTJKUGGSA-N 433.918 4.714 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(C)(F)F)c1 1722416604 NXWXFTRFHXYGDK-WOJBJXKFSA-N 430.543 4.816 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC2(CCCCCC2)C1 1722455834 NHIVFLUADKFZOZ-UHFFFAOYSA-N 445.032 4.895 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@](C)(O)CCC(C)C 1722497977 KDHTXUBENIJHCM-CLJLJLNGSA-N 438.616 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)C/C(C)=C\c1ccccc1 1722504357 GDRJJQBEJJYDAX-RGXSRSEKSA-N 429.568 4.861 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCO[C@H]1CCCC[C@H]1C 1722518330 ZSBBCTYSQSSKAL-QTEQDKRBSA-N 440.588 4.788 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)Cc1cc(Cl)ccn1 1722521636 RYFSMZYRXXAXDE-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1722560750 FGFIWDFHZLIUPK-JOCHJYFZSA-N 445.405 4.805 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCCN(CC)CC)CC1 1722576701 NKJHEPBRFQGWTP-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1Cc1sccc1Br 1722643229 GCNXLSNMOUDWEF-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1722716798 YSGMYIQRVDKGGN-WAOWUJCRSA-N 430.980 4.585 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC(F)(F)C1 1722868361 BOLNACZQAOISJU-CYBMUJFWSA-N 425.936 4.865 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1)c1cccnc1 1726670090 CKOLBYXTOXIOFH-YYDVJCTNSA-N 446.624 4.982 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(C#N)c1)C(C)C 1728742571 CFNJMRKFCBMZBR-HSZRJFAPSA-N 432.572 4.608 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1730760820 BLKRKVCBRYJMOV-HOTGVXAUSA-N 439.457 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ncc(CC)s1 1740557226 MCXBVSSNULAHMH-KRWDZBQOSA-N 437.613 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC[C@@H]1OC 1740724396 BQFMNPQYWNTWLU-IBVSPSLBSA-N 436.600 4.842 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1740827705 HNPOWUFBXZPOGV-QGZVFWFLSA-N 449.571 4.642 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCCC2)CC1 1740834288 PYLMCMOHKOKRKB-UHFFFAOYSA-N 439.991 4.764 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1Cc1nc(C(C)(C)C)cs1 1740904246 DBXSDLHPQOSWNG-UHFFFAOYSA-N 441.601 4.680 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC[C@H](O)C1 1740922407 GNJINLSVNZGJHM-ICSRJNTNSA-N 438.597 4.759 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC1CCOCC1 1748552288 HAVNSWZXFILYAI-QHCPKHFHSA-N 443.979 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)[C@@H](C)CC 1748646957 GEWQRJMQGJAARX-ZWOKBUDYSA-N 437.613 4.896 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1748699971 SZPQTDLHCODSMS-FGZHOGPDSA-N 446.599 4.566 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOC1CCCC1 1748772259 RUOOAOFXGMKZDB-UHFFFAOYSA-N 435.597 4.796 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1748773941 MTFSVHAGTSPFNR-UHFFFAOYSA-N 445.741 4.671 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1749083468 HBRFKRAIIKXWTQ-ZDUSSCGKSA-N 434.338 4.777 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)S[C@@H](C)C1 1749109160 FHNVBSSMRFSOIQ-HOTGVXAUSA-N 446.418 4.520 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1749218011 GGMZXKZZAXUDQI-WOJBJXKFSA-N 432.996 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1749355836 RARZCWIEHXCBQD-KRWDZBQOSA-N 448.514 4.538 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1749749054 FLMCQOZIYFVUOQ-QGZVFWFLSA-N 430.618 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCN(CC)C1 1760105857 HNZPAEYBWXUXMU-MSOLQXFVSA-N 437.588 4.612 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OC(C)(C)C)CC1 1760131937 AACSBLPNOXYBKN-UHFFFAOYSA-N 440.588 4.550 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC2(CC2)C1 1760141969 NASQDWSEMYHEBA-UHFFFAOYSA-N 443.389 4.804 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760228729 QCVQSIAOAMTZMY-PGRDOPGGSA-N 445.405 4.823 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC(n2ncc3ccccc32)CC1 1760300320 DQFSCZRGIHAULK-OAHLLOKOSA-N 443.393 4.891 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Oc2ncccc2F)CC1 1760342861 XWYVFTLVQGNFJH-UHFFFAOYSA-N 427.911 4.757 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@H]1C 1760352744 XFUYOLSPEWSONV-NHCUHLMSSA-N 442.604 4.631 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCCCCC2=O)CC1 1760385765 XPPTXSGBPOREJD-UHFFFAOYSA-N 445.970 4.687 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@H](OC)C1 1760434572 GCZXTJIWZJKWTL-KBXCAEBGSA-N 437.357 4.674 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2cccc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1760444855 SSBCJIQZKYIZTG-URXFXBBRSA-N 428.552 4.766 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](c1cccnc1)C(C)C 1760454220 AOBDZNXKQWIKOF-NRFANRHFSA-N 427.556 4.792 30 10 IJEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)CCO1 1764356536 DASZCTJGGMVPRO-ZEQKJWHPSA-N 444.583 4.657 30 10 IJEE COCC1(CCn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@@H](C)C#N)CCC1 1770818441 GQXFYKXGGROTAX-SFHVURJKSA-N 432.572 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(SC)CC1 1772523289 IEDUHGROUDJHOX-HSZRJFAPSA-N 440.613 4.630 30 10 IJEE Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Br)oc2c1C(=NO)CC(C)(C)C2 1772728701 YTXPFGOYWJEFAR-UHFFFAOYSA-N 436.262 4.662 30 10 IJEE O=C1Nc2ccccc2/C1=C1\SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 1772735401 HNVHRTCMVARWKP-TYHFKYJTSA-N 438.940 4.994 30 10 IJEE COc1cc(/C=N/NC(=S)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 1860499482 NZCHHSQFDHHGHK-AMGOFPDISA-N 437.609 4.897 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446312 PKAWSKYERXENNL-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1862446777 AOUDNYUEONBARL-LJQANCHMSA-N 427.884 4.663 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CC2)c1 1862469474 OGGVUJLPNADVHE-IBGZPJMESA-N 442.309 4.589 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 1862477019 RLRWXXUGNGFAPL-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(C)c2)cc1 1862589344 JMDWJDYOOGFHLS-DEOSSOPVSA-N 427.500 4.830 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862595392 AXLIUDJBZRJCBD-DEOSSOPVSA-N 443.499 4.878 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862622718 NPMRCCSBVHRBMZ-JOCHJYFZSA-N 435.520 4.766 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1F 1862643920 YPXFCLLBKHACTM-GOSISDBHSA-N 435.373 4.594 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)c1 1862659897 FQIWRCISPLFZDZ-QHCPKHFHSA-N 429.520 4.663 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862672332 ANYOVOFIWCXJQO-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2F)c1 1862703334 USABZPGMNYXOCR-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(F)cccc2Cl)c1 1862704836 KCBKJUMUBUIEAQ-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 1862721866 KTLPZGLDBGQLHG-RUZDIDTESA-N 440.543 4.884 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1 1863144285 CZQRTFVHYYNECW-INIZCTEOSA-N 441.462 4.659 30 10 IJEE CCN(CC)c1cc(C)c2[nH]cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c(=O)c2c1 1866476721 FVSCZZWLWFNNCI-UHFFFAOYSA-N 434.565 4.747 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Oc3ccc(OC)cc3)CC2)n1 1868291208 LFECORJQXXVNQJ-UHFFFAOYSA-N 429.524 4.711 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1 1868949587 PXJTUOYLTHUCRC-FQEVSTJZSA-N 426.507 4.582 30 10 IJEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)c(OC)c1OC)C3=O 1871346717 SNRHUKKJUOYMGC-BKUYFWCQSA-N 439.508 4.671 30 10 IJEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871383389 IUHHRTWAEZKQBD-JCMHNJIXSA-N 445.427 4.894 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871455963 FYSWRXZITVRJKS-FMCGGJTJSA-N 443.455 4.666 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871990076 ULQGEPVOROBSGV-AVRDEDQJSA-N 432.561 4.754 30 10 IJEE Cc1ccc2nc(C3=C(N)N(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3=O)[nH]c2c1 1872730679 JLVWGLKUYYORBZ-UHFFFAOYSA-N 440.347 4.626 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(CC)CC)=C(c2ccccc2)C1=O 1873159022 APHUNNWYPVVMFX-UHFFFAOYSA-N 427.633 4.839 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCC[C@@H](C)C1)n2Cc1ccccc1 1873554880 BLOXGJSLVPPYCB-HXUWFJFHSA-N 429.568 4.530 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3ccncc3)ncnc21 1873618620 UDADJBHTBNQKBW-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE CCCCOc1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SC)cc1 1874259458 AUPWYWACVUGWCJ-ZMOGYAJESA-N 432.496 4.918 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874283600 PTCJSYHSUABSKO-HYARGMPZSA-N 427.917 4.785 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccco1)Nc1ccccc1 1874364649 NWRMWQCUZRJJEM-YDZHTSKRSA-N 437.912 4.805 30 10 IJEE Oc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 1874376415 VLTGJXPDYCRCOW-YZSQISJMSA-N 432.524 4.931 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874413541 ZHRLXCZYTAPEQM-HYARGMPZSA-N 428.583 4.887 30 10 IJEE C(=N/n1c(SCCc2ccccc2)nnc1C1CCCC1)\c1ccc2c(c1)OCCO2 1874456067 ZBDBJARIXZHDTF-KOEQRZSOSA-N 434.565 4.924 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874473754 VKELGJMBIXRCIR-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE CCCCc1nnc(SCC(=O)N(CC)CC)n1/N=C/c1ccc(Cl)cc1Cl 1874475756 QATXLGTYRVTUOP-WSDLNYQXSA-N 442.416 4.770 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(F)cc1F 1874476089 COGLBVSAJINQFH-DHRITJCHSA-N 443.523 4.820 30 10 IJEE CCCCc1nnc(SCC)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874477240 QRBFOJQBHUWYRN-LFVJCYFKSA-N 438.553 4.843 30 10 IJEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874519961 UPRPIGRNTUJVMI-AWQFTUOYSA-N 437.363 4.573 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)OCC(C)C 1874626628 NZAAOEXJEWUNKN-JXMROGBWSA-N 426.509 4.795 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c(OC)c1OC 1874717506 YXLHGFWYKONTHZ-ZRDIBKRKSA-N 436.435 4.967 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)c1 1875178911 JDIJIHOVYMBQHC-KPKJPENVSA-N 448.471 4.836 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(C)c(Br)c3)n[nH]2)c1C 1889716794 KJKJKUFKTPMNQH-UHFFFAOYSA-N 428.334 4.789 30 10 IJEE CN(CC1CCN(C(=O)c2c3ccccc3nc3ccccc23)CC1)c1ncccc1C#N 1890788027 RYYQOILESBFYOG-UHFFFAOYSA-N 435.531 4.643 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 1912202946 NLKRGOFWOLHXKC-OPAMFIHVSA-N 448.568 4.901 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)Cc2cc(F)cc(B3OC(C)(C)C(C)(C)O3)c2)CO1 1915606537 MGIOUMJXTSCYKP-QHCPKHFHSA-N 439.380 4.695 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 1922808854 BITXWZBHDDXQJR-ATIYNZHBSA-N 446.632 4.526 30 10 IJEE BrC#CCNc1cc(Br)c(Br)c(Br)c1 1956794006 MTHSMKSQWJRNQS-UHFFFAOYSA-N 446.762 4.742 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@]2(C)C1 2052773462 DJCMYWBGIYDPIB-SSKFGXFMSA-N 448.568 4.853 30 10 IJEE CCOC(=O)c1c(C(C)(C)C)nn(-c2ccc(C(F)(F)F)c(F)n2)c1C(F)(F)F 2078905708 DFPMHMPKNCMCEO-UHFFFAOYSA-N 427.320 4.918 30 10 IJEE Cc1cc(C)c([C@H](C)n2nc(C(F)F)c(C=NO)c2I)c(C)c1 2079881356 UOKRBRABVCLWAD-NSHDSACASA-N 433.240 4.768 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC2(CC1)C[C@@H]2CN 2158293782 WDIOPXNGSVKBFM-TVRCVXMWSA-N 434.378 4.992 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cc(C#N)c2)[C@@H](C(F)(F)F)C1 2163253496 JITDSQKYORHLRH-WFASDCNBSA-N 448.283 4.778 30 10 IJEE C=C1C[C@@H]2CCC[C@H](C1)N2C(=O)c1ccc(I)c(Br)c1 2173984977 USLCCAOVQOPQCM-BETUJISGSA-N 446.126 4.767 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(c3ccc(C#N)cc3Br)C2)C1 2174813272 UFPISRZSBNHAIO-OAQYLSRUSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCCC[C@H]1CN(c1ccc(C#N)c(Br)c1F)C2 2174821263 GJSWHUZFEMXEEC-VBKZILBWSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1COc1cc(Br)cnc1C#N 2198815798 PVGGNHLWDQIAND-OAHLLOKOSA-N 436.350 4.664 30 10 IJEE CC[C@@]1(C)CSC(=Nc2ccc(Br)cc2I)N1 2217200385 SNYKOZJNIWOCAX-LBPRGKRZSA-N 425.133 4.546 30 10 IJEE CSCC1(NC(=O)OC(C)(C)C)CC(C#N)(Nc2ccc(Br)cc2)C1 2223031737 UFKGGLDYNAWNJJ-UHFFFAOYSA-N 426.380 4.544 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)C#Cc3ccccc3Br)ccc21 2235731649 XOULEIRSBPJXDM-UHFFFAOYSA-N 426.310 4.981 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2235735089 YQTVCGIWOINYCT-NZSAHSFTSA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CCC12CC(CN1C(=O)OC(C)(C)C)C2 2235745080 AVRNOOBDXBXDAE-ASNBIDDJSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2235747403 POUUKHXFIATTOS-JXFKEZNVSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccc(NC(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)cc2)CC1 2267564707 VELGHQPUIHESTI-ZWKOTPCHSA-N 442.365 4.621 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1csc(CNC(=O)OC(C)(C)C)c1 2278799594 JLAMIXYWQQFIJX-SFHVURJKSA-N 435.387 4.848 30 10 IJEE CC1(C)OB(c2cccc(N[C@@H]3CN(Cc4ccccc4)C4(CCCCC4)C3)n2)OC1(C)C 2281505276 NGYKSGPRGYRWET-QFIPXVFZSA-N 447.432 4.770 30 10 IJEE C=C([C@@H](OCCC(=O)O)c1cc(Br)c(Br)s1)C(F)(F)F 2291863357 RMNNAVAVIMGIRD-SECBINFHSA-N 438.059 4.924 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@@H](N)C#Cc1cccc(Br)c1 2296224664 MPQGGYNOZOJTRP-OALUTQOASA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@@H]21 2296288728 KACSMECMERBOJS-LZNRXBQRSA-N 434.374 4.731 30 10 IJEE O=C(C=Cc1ccc(F)cc1)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2297322529 DJMDAQPGKLJILF-UHFFFAOYSA-N 449.463 4.757 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2305318528 DMICNEKONZUGJY-YNJKOYDBSA-N 428.573 4.555 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C2CC2)cc1 2320861062 SFJZZRIVAPUHLQ-UHFFFAOYSA-N 425.602 4.702 30 10 IJEE O=C1C(=Cc2cccs2)Oc2c1ccc1c2CN(C[C@H](O)c2ccc(Cl)cc2)CO1 2322233760 KAAJIVXYSFFORY-IBGZPJMESA-N 439.920 4.903 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)c1 2322286335 NAELKAZUWFKCRL-UHFFFAOYSA-N 430.961 4.739 30 10 IJEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)C1 2322391386 IUSWDVLXIOKSLN-UHFFFAOYSA-N 437.536 4.979 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2ccc(C(=O)OC)o2)cc1 2322565196 BIWGEZFJYTVJMW-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE Cn1ncc(NN=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)c(Cl)c1=O 2322630768 AYGWUCJFAUWYNO-UHFFFAOYSA-N 437.714 4.766 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccco2)cc1 2324522600 QCWKAJZDRSRSRZ-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 2325731102 ZTPXLQBXVYHKBF-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE CCCOc1c(OC)cc(C=Nn2cnnc2SCc2cccc(C)c2)cc1OC 2326369397 VDCPKKYCKCSRHW-UHFFFAOYSA-N 426.542 4.567 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1cc(Br)ccc1O 2329761514 XLISDAFBAFMRQN-UHFFFAOYSA-N 447.333 4.636 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)cc2O)cc1 2330452288 SJFQSTDBNDDBGC-UHFFFAOYSA-N 430.533 4.763 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1cccs1)Nc1ccccc1 2330531527 NCFQGEXDYDDDCG-UHFFFAOYSA-N 425.564 4.681 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330621938 OMKMAUAKYOTUBF-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cnc(C)cn3)c(OC)c2)c1 2330773097 TVLWBDSKTBLTMD-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(F)c2)cc1 2330824011 JTDMYRZQKQUVSA-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCCCO)cc1OCC 2331346619 GEEUNXCMGUYSRH-UHFFFAOYSA-N 448.633 4.945 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2Br)cn1 2331523767 WTUQQSGGAVTQAP-UHFFFAOYSA-N 441.256 4.802 30 10 IJEE CC[C@@H](NCC(C)(C)N(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338517497 FXPJUVKCCVTJJK-HXUWFJFHSA-N 446.441 4.672 30 10 IJEE CCOC(=O)[C@H](Oc1ccc2c(c1)O/C(=C/c1cccc(OC)c1)C2=O)c1ccccc1 2152255 FQECQSFSLPSTOO-XSZPGNIMSA-N 430.456 4.995 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)nc2sc(C)c(C)c2c1=O 16715546 PIEWXDKKFFHFSP-CQSZACIVSA-N 431.558 4.828 30 10 IJEE CCCOc1ccccc1/C=C1\S/C(=N\c2ccc(C(=O)O)c(O)c2)N(CC)C1=O 16928043 PLSWDAUQPNDWGG-WXUMLGSOSA-N 426.494 4.503 30 10 IJEE O=C1COc2ccc(C(=O)/C=C/c3csc(-c4cccc(Br)c4)n3)cc2N1 18917968 CHLSAQKTHJETNO-AATRIKPKSA-N 441.306 4.800 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(Cl)c(C(=O)O)c2)cc1OC 20879102 FKDWRSWPOYMBFU-UHFFFAOYSA-N 426.694 4.986 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccco1)C/C2=N\OC(=O)c1ccc(Cl)cc1 33960439 BYDWLKRCBQSLFH-YVZPWASOSA-N 428.916 4.979 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C\C(=O)c3cc(OC)ccc3OC)cc2OC)c1 34955314 QWXZXBUNHQGGRD-FLIBITNWSA-N 448.471 4.836 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)cc2)cc1 39827317 JVNZKXPBKHCTJA-NRFANRHFSA-N 443.927 4.744 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)cc1 41292064 IGCVCDVAGXAIRG-MTJSOVHGSA-N 432.403 4.756 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1OC 41514524 SMPQNRNYJLAGKX-OYKKKHCWSA-N 445.515 4.966 30 10 IJEE CCCCc1ccc(NC(=O)C[C@@H]2S/C(=N\C34CC5CC(CC(C5)C3)C4)NC2=O)cc1 72434758 FBGOVKZNQGFTGF-SKLOBRBISA-N 439.625 4.914 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OCC)cc2)S/C1=N/c1ccc(Cl)cc1 101613902 WKYMPHHJPZOWPK-FOFUNRBPSA-N 443.956 4.885 30 10 IJEE CC(C)Oc1ccc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1Br 169911317 BUDAYEKFEIYUJA-XKZIYDEJSA-N 445.386 4.784 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccc(C)cc1 169945000 FPTAFCFJYSFXTD-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 169953416 VVGOSJVOXCJWAL-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c1 170050000 MHTYVHQNBFDXOK-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)cc1 170080248 JMXGZQCHHBGCCW-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2cccs2)cc1 170159612 LIGZOMYFKJEOTC-JOCHJYFZSA-N 446.528 4.668 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccn1)c1cc2ccccc2o1 170169443 MYHOCEUQMVIXGD-NRFANRHFSA-N 432.382 4.889 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)c1 170191037 DXOKVBRKBUYOOW-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccco2)cc1 170291704 NNVQDTZWCWNVII-DENIHFKCSA-N 439.508 4.606 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C)o2)cc1C 170298784 KBVSVSZIPQDAHD-JOCHJYFZSA-N 441.524 4.689 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)c1 170298918 SBSDAOPWOGSPGX-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccco1 170421882 MQPZIVKQMMGODO-HXUWFJFHSA-N 425.843 4.893 30 10 IJEE O=S(=O)(NN=Cc1ccccc1OCc1ccc(F)cc1Cl)c1ccc(F)cc1 254629413 SZXBQSQPYLTFOW-UHFFFAOYSA-N 436.867 4.510 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 442270451 HCXZVUBAOWLSLG-QUCCMNQESA-N 437.506 4.757 30 10 IJEE C=CCn1c(SC[C@@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1ccccc1F 443469582 XIWRTKREEDFKET-HNNXBMFYSA-N 437.462 4.985 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460544889 MRJRZVHVXRQRFM-MHZLTWQESA-N 446.595 4.581 30 10 IJEE Cn1ccc([C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccc(Cl)cc2)n1 468944154 JQNJPFMAEGUPNY-XMMPIXPASA-N 433.943 4.858 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2-n2cccn2)cc1 470782848 DMHWTXXUETVHHN-LJQANCHMSA-N 429.524 4.569 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)c(F)c1 506127472 ZOGSUTRHAYCVGQ-UHFFFAOYSA-N 430.527 4.801 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(O)c2)ccc1OC 526604512 NMZZZTOOULUSCH-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1O 526826070 SIDBOEORPXUWBV-YSMPRRRNSA-N 448.523 4.897 30 10 IJEE N#Cc1c(NC(=O)C[S@@](=O)Cc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 526859741 YHDPYOOPERYJGA-SANMLTNESA-N 427.378 4.693 30 10 IJEE C=CCn1c(SCc2coc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccoc1C 541076744 GVMKGMYWGNGFLQ-UHFFFAOYSA-N 436.493 4.766 30 10 IJEE C=CCOc1ccc(CNC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1Cl 550269849 SERTXGKKAZSJHF-HSZRJFAPSA-N 441.015 4.923 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccc(F)cc1Cl 555258235 HDVOGKUERKISSF-UHFFFAOYSA-N 438.894 4.599 30 10 IJEE O=C(C[C@H]1SC(=NN=C/C=C/c2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl 585657503 LWTVXADIWHQWKN-QOTKLOICSA-N 447.347 4.609 30 10 IJEE CCCCCCCCC[S@@](=O)CC(=O)Nc1nc(C)c(C(=O)OCC(C)C)s1 586345674 AJVIULQXFNLQAH-MUUNZHRXSA-N 430.636 4.702 30 10 IJEE N#CCc1ccccc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687753294 UUORSIHLCWIJNL-XMMPIXPASA-N 426.472 4.807 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698491132 WPWWGAYZLFSDLW-OAHLLOKOSA-N 440.338 4.607 30 10 IJEE N#C[C@@H](C(=O)c1cccc(F)c1I)c1ccc(Br)cc1 721680765 FTDZRUUXKWKTCA-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE C#CCN(C(=O)c1sc([C@@H](C)OC)nc1C)[C@H]1CCOc2ccc(Br)cc21 749390696 XCGAUJNTWNEHIK-CJNGLKHVSA-N 449.370 4.521 30 10 IJEE C[C@@H](OC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)NC1(C#N)CCCCC1 764060043 VHMHZMOECAORPM-KWWJGWKXSA-N 428.838 4.560 30 10 IJEE N#Cc1cccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)c1 769961977 ZPJOFKBJDTXCRR-QFIPXVFZSA-N 437.446 4.927 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(N3CCSCC3)cc2C)CCCN1C(=O)OC(C)(C)C 790541004 PHPKRIWRXUHJIU-DEOSSOPVSA-N 445.629 4.833 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)c1ccc(Cl)cc1 810469735 AMGVGDRNWKWBGR-INIZCTEOSA-N 425.941 4.676 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(F)cc1 812749749 CAYLUCBDMSEQJV-XZOQPEGZSA-N 434.898 4.831 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(F)cc1 812909469 GRQANIPELQEYJL-NHCUHLMSSA-N 434.433 4.986 30 10 IJEE COc1ccc(N=C2C(=O)N(CN3CCC[C@@H](C)C3)c3ccc(Br)cc32)cc1 1084088326 HRGYGWVLLDWKCV-OAHLLOKOSA-N 442.357 4.615 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccccc1 1124387852 VBQKCQFRHKQSGE-LJQANCHMSA-N 442.581 4.558 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3)cc2C1=O 1125404529 JAZFSTSSBACGMI-UHFFFAOYSA-N 430.891 4.969 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Br)c(OC)c2)cc1 1125465630 DPDJXYHPADJGCJ-UHFFFAOYSA-N 429.314 4.524 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)cc1 1129277083 RTUGXOUWSOEVLS-ZEQKJWHPSA-N 447.506 4.501 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)s1)c1ccc(Br)cc1 1129730437 HWOOZDNHXKKPBL-INIZCTEOSA-N 434.746 4.513 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3ccc(F)c(C)c32)nnc1-c1ccco1 1129964731 WLELKFHAFSLLPE-UHFFFAOYSA-N 426.517 4.633 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2 1136809801 DXWAYWKDJWGQNQ-UHFFFAOYSA-N 444.556 4.821 30 10 IJEE N#Cc1ccc(NCC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 1137386472 DXDGXVXMFWYGPI-JOCHJYFZSA-N 438.300 4.778 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F 1142303404 JGMDJPWGAQLNLZ-INIZCTEOSA-N 445.441 4.653 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(OCCN2CCCC2)cc1 1146333397 YARYBSYIWUWENP-UHFFFAOYSA-N 448.485 4.675 30 10 IJEE C=CC1(CC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CN(C(=O)OC(C)(C)C)C1 1163104821 OWVFSMGAABHUDV-ROUUACIJSA-N 438.572 4.519 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(Cl)c1 1165889315 MWEKLMFKHWHRBH-IUVQAAGXSA-N 431.005 4.818 30 10 IJEE C=CCOc1ccccc1CN(Cc1cc(O)n2ncc(C#N)c2n1)c1ccc(C)c(C)c1 1168033904 AFEXHVZNGMPJAZ-UHFFFAOYSA-N 439.519 4.695 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(n3cc(Br)cn3)CC2)cc1OC 1180228835 CKOKBMHUNQSMPI-UHFFFAOYSA-N 440.769 4.710 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](CO)Cc1ccccc1 1199750246 CARRECQMJJLPGY-HSZRJFAPSA-N 429.520 4.513 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1 1211525837 GRACXBWKGKTPFK-CQSZACIVSA-N 440.340 4.688 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(Cc2nc(C(=O)OCC)cs2)CC1)c1ccccc1 1224522991 QYSRSNFYAHCWMF-HXUWFJFHSA-N 441.597 4.991 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1F 1252480692 ZXDMHEIFCNROTI-GJZGRUSLSA-N 426.801 4.509 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 1269745809 SASQVHKHLDOIQX-OAHLLOKOSA-N 432.314 4.865 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)cc1C 1286280523 BKHSNQOUTCNTLX-AWEZNQCLSA-N 447.377 4.917 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286624337 BFLPJIBNTZQJAH-UHFFFAOYSA-N 433.343 4.601 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2nccnc2C)CC1 1286640129 GFARWCCHXNCFQF-UHFFFAOYSA-N 429.355 4.749 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1286651362 BMROBBKNOANVRJ-UHFFFAOYSA-N 437.510 4.557 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCCSC)CC1 1286664519 YBXFIHFKVRQHOE-OAQYLSRUSA-N 428.602 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nccs1 1286744513 ICBBRYYPHWRTTJ-VQIMIIECSA-N 427.549 4.722 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC[C@H]1CCO[C@H](C)C1 1286761318 WTBGNGAUXPGDGS-GGAORHGYSA-N 431.584 4.780 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1286834940 OFEFDYUDUAXXGC-IFMALSPDSA-N 426.630 4.978 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nccnc2SCc2ccccc2)cc1 1292106907 APZXWKNDNGGNPQ-UHFFFAOYSA-N 444.560 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C(C)(C)C)no1 1300275664 YDQCRURRBASZCB-HOTGVXAUSA-N 441.963 4.863 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1300372572 IVOZXECXVGZMQJ-HXUWFJFHSA-N 442.991 4.567 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1300421548 JXJFNAZCSLUINT-SFTDATJTSA-N 426.630 4.998 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CC[C@H](F)C1 1300509613 QJKGBEUDFDQQLM-ZJOUEHCJSA-N 442.966 4.899 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCc2ccccc21 1300596190 VDSRDGDCRKDPOE-ICDZXHCJSA-N 444.623 4.780 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccsc1 1300743305 LZUIEYBNKOWLQU-UHFFFAOYSA-N 434.537 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)COCC 1300789020 VCYFLQFZQAPKAA-HSZRJFAPSA-N 432.515 4.601 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](C)(CC)C1 1300856482 DSDXVPOWBSMLQP-NRFANRHFSA-N 428.378 4.816 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C(C)C)C1 1300983363 XQTPKROCAHPUDL-KRWDZBQOSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCN(CCC)CC2)CC1 1301066456 POABFNKXQICPJK-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(OC)c(F)c2)CC1 1301097334 VAMRQJZQPQEKPX-DENIHFKCSA-N 442.579 4.744 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(COC)CCC2)CC1 1301112742 ZVHXPXZLJOEMPL-UHFFFAOYSA-N 448.409 4.645 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(C)(F)F)cc2)CC1 1301135058 FJLWTCZVMPFDCD-FPOVZHCZSA-N 446.542 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CCCCC2)C1 1301142990 ASELDGRVXLGKKP-IBGZPJMESA-N 429.012 4.660 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccsc1 1301245565 FHAPKWQSPVFSAH-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1N(C)CCCC1(C)C 1301346480 DAPVKUKAHUGPLC-HSZRJFAPSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCOC1 1301365318 LOLJFGFTFVTCMP-FQEVSTJZSA-N 438.597 4.765 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301433070 JIXNOLGVEPKVDP-GDBMZVCRSA-N 444.885 4.642 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2nc(C)c(C)s2)C1 1301538958 MRBSGJPYUPVHME-SFTDATJTSA-N 437.613 4.723 30 10 IJEE CC(C)c1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)n1 1302541182 HHEMHOVYNSEVPY-UHFFFAOYSA-N 431.569 4.575 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)N2CCC(C)CC2)cc1 1304431462 GVEQGGAQFLBWES-SFTDATJTSA-N 440.661 4.738 30 10 IJEE CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@](C)(C#N)C1)Oc1cccc(F)c1 1305814190 DBDQIXASKNBIPS-DVECYGJZSA-N 437.519 4.973 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 1307312317 PLTPCVYDCMADIX-OAHLLOKOSA-N 428.945 4.862 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccccc2)C[C@@H]2CCCO2)n(C2CCCC2)c1C 1307430524 DPNPFQBXRKIESA-QHCPKHFHSA-N 434.584 4.711 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2ccc(Br)cc2C#N)CC1 1307437873 GLGJSCOILHZASP-FQEVSTJZSA-N 448.405 4.932 30 10 IJEE C=CCCCS(=O)(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1309066787 NBECMSSBHVBJPP-QFIPXVFZSA-N 432.655 4.857 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(NC(=O)OC)cc1)c1ccc(C(F)(F)F)cc1 1309333523 BYBDAVYIPRREJE-GOSISDBHSA-N 442.459 4.870 30 10 IJEE COc1cccc(-c2cc(CNC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)on2)c1 1312057614 GAMDUGHDSWWIFF-UHFFFAOYSA-N 444.516 4.950 30 10 IJEE C=CCCC[C@H](NC(=O)N1CC(O)(c2ccc(Br)cc2)C1)c1ccccc1 1313218837 JACCXGZBVRYXQC-FQEVSTJZSA-N 429.358 4.760 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 1353034540 GGRLYTCPNZJMDK-UHFFFAOYSA-N 434.458 4.879 30 10 IJEE C=C(C)[C@@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)OCC 1353536008 ZHEOTAXINBQHDB-NHCUHLMSSA-N 433.017 4.988 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cccc(C(F)(F)F)n1 1358873621 LQMAIPQEBAXCJN-VQIMIIECSA-N 427.474 4.740 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(C)C)CC1 1358919789 KIVCARWIASWNOM-FQEVSTJZSA-N 444.023 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1359094353 ADXRDDLTKJNHGE-CDMIOBSGSA-N 441.526 4.740 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C)SC)CC1 1359162480 RYYZEMAGWOUERK-CQSZACIVSA-N 437.407 4.624 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cnccc2OC)CC1 1359168447 UUIDQTBXPMQIAZ-UHFFFAOYSA-N 447.583 4.763 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1359206592 JSNPNGXQJATEGN-HSZRJFAPSA-N 428.602 4.555 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1359232749 CZHKCMODPYRCTH-NHCUHLMSSA-N 447.631 4.716 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CC(F)(F)CO1 1359255312 UQLDOOUZSPJEJK-OAQYLSRUSA-N 446.542 4.636 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(F)(F)F)cc1C 1359281005 LKOWNUNTLSQODL-IBGZPJMESA-N 438.494 4.534 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359284164 VPMVXSDWBHGHGK-YOEHRIQHSA-N 442.188 4.914 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1359526376 GQWAYGYWZFBCJQ-UHFFFAOYSA-N 446.555 4.500 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(I)cn2)c1 1435026917 BJTVNLUCAJUGAO-UHFFFAOYSA-N 438.268 4.515 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3c3cccc(C(F)(F)F)c3)cc2C1=O 1436003795 RVHPQGQVHJOECC-FQEVSTJZSA-N 442.437 4.855 30 10 IJEE C#CCOc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1 1436299895 OKABRTBGIAABFY-UHFFFAOYSA-N 433.939 4.737 30 10 IJEE COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1C#N 1438711172 GJXFYIGESOKNAA-UHFFFAOYSA-N 441.516 4.545 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)c1 1441760818 ACPVDSVKMDYICJ-UXHICEINSA-N 431.561 4.649 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 1443720780 ZWAYCZBVJSCBDC-OAHLLOKOSA-N 447.967 4.539 30 10 IJEE CCC(CC)(CNC(=O)c1ccc(Br)cc1C#N)N[C@H](C)c1ccccc1 1444086712 CCXFJEXHJIFMPF-MRXNPFEDSA-N 428.374 4.960 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3ccc(C)cc3)c2CCC)CN(C(=O)OC(C)(C)C)C1 1447691114 VVGDGFVWKIOYRI-UHFFFAOYSA-N 438.572 4.885 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(Br)cc(Br)c2)cc1 1461846978 WSDSACAPOZAIPL-UHFFFAOYSA-N 425.120 4.958 30 10 IJEE N#Cc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)ccc1C(F)(F)F 1463550504 DAXXWOKHSLXGFT-ZVDOUQERSA-N 434.483 4.924 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OCCOCC)c(C(C)C)c1)c1ccc(Cl)cc1 1463835504 UCWLMWYCNRULOE-OAQYLSRUSA-N 435.973 4.532 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)cn1 1465431416 HROVIRLFBSXYHA-CYBMUJFWSA-N 438.285 4.786 30 10 IJEE C#CCN(CC(=O)N1CCCc2cc(N3CCCC[C@@H]3CC)ccc21)C(=O)OC(C)(C)C 1466377219 MDJBJSSMDWJOBO-NRFANRHFSA-N 439.600 4.605 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1467745796 QISHECQZWZMYHR-DEOSSOPVSA-N 429.589 4.693 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 1472391676 YVKFBEJYPCNVIJ-WMZOPIPTSA-N 435.634 4.866 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1473233879 AOVTUGAZEMEKOD-LEWJYISDSA-N 439.991 4.705 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1nc2c(s1)CCC[C@H]2C(=O)OCC)c1ccc(F)c(F)c1 1476674566 YODKFPZWIDMORR-CXAGYDPISA-N 435.496 4.843 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc([C@H](C)CC)cc3)CC2)c1 1477187474 IRGPDFUQXWEXLD-LJQANCHMSA-N 441.597 4.772 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1)C(C)(C)C 1477327676 MKPZUJUGWXFDKF-QHCPKHFHSA-N 435.568 4.640 30 10 IJEE C=CCC[C@H](NC(=O)NCC(C)(C)[C@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1 1478272485 MEDOUCDEUPOOQV-RXVVDRJESA-N 428.495 4.580 30 10 IJEE CCOC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1502760726 AAMLTEDSBXAHRB-REHUZNOOSA-N 443.636 4.676 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nc(C2CC2)cs1 1507649269 VEVIJKJWBKYXJJ-UHFFFAOYSA-N 429.593 4.698 30 10 IJEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(Cc1cccs1)Cc1cccs1 1507750310 QDYZGPINZNFQOF-UHFFFAOYSA-N 439.635 4.969 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1507819480 ZWLUCPGTPBBKGH-KRWDZBQOSA-N 437.613 4.986 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1507900131 HAVKNXXWGJOCBB-CJFMBICVSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1507912242 NDQSWJFOGPKLHY-QFIPXVFZSA-N 448.615 4.575 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1507973450 DPLSEUMDILCXDQ-UZUQRXQVSA-N 432.012 4.740 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CC1(N(C)C)CCCCC1 1507998639 HXSRXLDELUXUQC-UHFFFAOYSA-N 432.616 4.559 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H](CC)N1CCCC1 1508006489 FGZQPJOQFKBUCG-FQEVSTJZSA-N 436.629 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)nc1 1508009527 QWHQASFZTIBDOK-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CC1CN(C(=O)OC(C)(C)C)C1 1508012617 AOZZNZQQBSEKJL-UHFFFAOYSA-N 443.979 4.644 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1ccc(OC(C)(C)C)nc1 1509296660 BHWJFWJRRZDVFH-UHFFFAOYSA-N 447.587 4.727 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)[C@H]1C 1512285229 FLUNPOGEKFTVDL-STQMWFEESA-N 432.475 4.575 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)c1ccc(Br)c(C)c1 1520554390 FYKSKQIBPOYZAN-UHFFFAOYSA-N 429.358 4.582 30 10 IJEE COC[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 1521955094 FYFNSCRXUDAGQL-JOCHJYFZSA-N 434.923 4.951 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 1523667868 FEMMKVRIGWBLGG-UHFFFAOYSA-N 427.489 4.619 30 10 IJEE C#C[C@@H](NC(=O)Cn1c(-c2scnc2C)nc2ccccc21)c1ccc(Cl)cc1F 1525069236 CVCUZCWCHCCCSP-QGZVFWFLSA-N 438.915 4.751 30 10 IJEE C[C@@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-n2cccn2)c(F)c1 1526689150 GFXGFODPMFXTCT-QGZVFWFLSA-N 429.455 4.707 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2c(Cl)oc3ccccc23)nnc1-c1ccco1 1528827687 QRHCGZRRZSAFNY-UHFFFAOYSA-N 442.928 4.922 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(C)c2ccccc2oc1=O 1529484969 AUTRBBMEOYZKPR-UHFFFAOYSA-N 430.273 4.831 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)C1 1529683203 AKVXKRYZQTZIMM-RMXYQJDTSA-N 444.575 4.750 30 10 IJEE C=CCCSCCNC(=O)CCc1cc(Br)c(Br)s1 1531367815 XJCYDGCVSHEBBP-UHFFFAOYSA-N 427.227 4.631 30 10 IJEE N#Cc1ccc(F)c(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c1 1531771660 BSDSVYYCSZHQSS-UHFFFAOYSA-N 428.345 4.959 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cccc(C#N)c2C)C1 1531987351 FVPYHNMFZFQYON-IBGZPJMESA-N 426.358 4.645 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCC2(c3ccc(Br)cc3)CC2)cc1OC 1534267297 JUIBMWXQBSNDFE-VZUCSPMQSA-N 442.353 4.884 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1539063080 KRTNQSQCQXKNSA-OAQYLSRUSA-N 439.922 4.514 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCC(F)(F)C1 1539154225 NCQUFGBHFNICIU-OAHLLOKOSA-N 437.332 4.993 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@@H](F)C1 1539382244 BKTIXDTUVLMLFJ-GOEBONIOSA-N 425.335 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1539677448 CMTGMJQUBXHXCC-AVRDEDQJSA-N 430.980 4.894 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1539694701 JYOALRZYSPFCAP-AVRDEDQJSA-N 428.577 4.570 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCC[C@H](C)C1 1539779328 UUHUJJDUVMFKRX-WFASDCNBSA-N 426.790 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539908852 CMPNQMWGFFANRV-OAQYLSRUSA-N 444.645 4.513 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC1 1539945449 OJHJTWVBZLIGGT-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCCCC2)C1 1539974794 VFHOAQICZDYVJK-UHFFFAOYSA-N 427.618 4.787 30 10 IJEE C#Cc1ccc([C@H](OC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)C(F)(F)F)cc1 1540107195 SKSAOBKSFNXHLC-NRFANRHFSA-N 428.410 4.614 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC1(SC)CC1 1540159253 ZOSDTSSGIFYDQD-UHFFFAOYSA-N 437.382 4.921 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CC1(OC)CCC(C)CC1 1540181918 CGMQCARZVGBYNW-NHXWLTBQSA-N 438.616 4.960 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1540865469 HZZBPRGEAHHJQA-LJQANCHMSA-N 435.616 4.561 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC(c3ccnn3C)CC2)cc1 1540877070 JUQBFVUURQPNHS-IBGZPJMESA-N 434.588 4.522 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncc(Cc4cccc(F)c4)s3)n[nH]2)c1C 1542093513 KKJJDJIFCCZHFA-UHFFFAOYSA-N 436.516 4.515 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(CC)CCCN2C(=O)OC(C)(C)C)cc1 1543922079 ZXJHPACTKOIWFN-VWLOTQADSA-N 441.572 4.619 30 10 IJEE C=CC1(CC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)CN(C(=O)OC(C)(C)C)C1 1556463592 SJUGGXDLWSICNM-UHFFFAOYSA-N 444.572 4.713 30 10 IJEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 1560021303 GZAHLQXZENUNGN-IFXJQAMLSA-N 430.371 4.514 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 1563952876 DBTKNGDAIDQRJG-OAHLLOKOSA-N 435.387 4.994 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc2cc(Cl)ccc2s1 1566277490 YSFQGMXDRIDMOA-CQSZACIVSA-N 444.384 4.644 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1scnc1CC)c1ccc2c(c1)OCCO2 1585491916 BAQZNCOPNLJSTB-UHFFFAOYSA-N 436.533 4.889 30 10 IJEE CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 1586895364 FZTPBDFLNZDRDI-FQEVSTJZSA-N 437.565 4.792 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC1(COC)CCCC1 1587562666 RUFPGTFICRNYSF-OALUTQOASA-N 428.552 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCc1ccccc1 1587575364 UHMYSQQIKGCOQB-MRXNPFEDSA-N 426.362 4.517 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(C)(C)N1CCCCC1 1588012049 TXDJZCUUJXROIB-UHFFFAOYSA-N 437.632 4.623 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCSC(F)(F)F 1588481795 LNIHODYTJVSUCY-UHFFFAOYSA-N 449.477 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[C@H]1CC 1589162792 GIFVJEITZRLJFW-DRSNIGMVSA-N 444.421 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC1(OC)CCC(C)CC1 1589178436 XDRPLWMUISDCQP-YUOODBIXSA-N 427.980 4.581 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC2(CCC2)C1 1593671792 RDMDHXIRFMNQFP-UHFFFAOYSA-N 437.371 4.747 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1593677580 DGYWINWFSWFNQY-BBRMVZONSA-N 446.926 4.956 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(CCOC)CCC1 1594907322 SMWOWDRDCDUMCP-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cc(C)oc1C)C1CC1 1595058294 HFZHANHWGPKCID-XMMPIXPASA-N 440.975 4.795 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CC[C@](C)(CC)O1 1595099632 FYQVMJPBZKCTJF-RQTOMXEWSA-N 435.572 4.542 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC[C@@H](OC)C(F)(F)F 1595127419 OSFFAGIAEZRZLW-GOSISDBHSA-N 437.441 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1595142220 PIUPBGZGUXBWIV-VAMGGRTRSA-N 445.677 4.934 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@@H](C)C1 1595275686 LLTVRYJVHUBJQJ-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)s1 1612060267 FCVJOKVMSLOGBY-HSZRJFAPSA-N 449.605 4.792 30 10 IJEE N#Cc1ccc(C(F)(F)F)nc1S[C@@H]1CCN(c2cccc(Br)c2)C1=O 1613720571 FPTYBHMAOMITCW-CYBMUJFWSA-N 442.260 4.632 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 1620645020 HOLUMGKLWKKEBW-DEOSSOPVSA-N 434.561 4.854 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](C)c3c(Cl)cccc3Cl)ccc2c1=O 1626340934 BAYNLONYNASUJP-LBPRGKRZSA-N 448.375 4.712 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 1629177278 AWDYKCFMKWZYDV-MRXNPFEDSA-N 433.892 4.506 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(OC)cc1)c1ccco1 1630060221 OIURGNKJIBRRAF-PKOBYXMFSA-N 434.920 4.530 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 1631509062 IXQTWLIVPDNTNL-OAQYLSRUSA-N 445.466 4.523 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 1632675461 WYHDUHYLMNLSGJ-LJQANCHMSA-N 431.540 4.772 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1633584668 ISVNRYWLYDXYOT-DUXKGJEZSA-N 433.568 4.963 30 10 IJEE COc1cccc([C@H]2CN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CCN2)c1 1634879473 ARMWXIFHUGUCOM-HSZRJFAPSA-N 429.545 4.505 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(I)ccc1F 1638664150 CTPQOAACSFZFGT-UHFFFAOYSA-N 425.241 4.580 30 10 IJEE C=CCn1c(Sc2cc(C#N)nc(C3CC3)n2)nnc1-c1ccc(Br)cc1 1639217456 YASAFAPCFAMJCO-UHFFFAOYSA-N 439.342 4.584 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1 1640066546 SCTYUZKFWCLJQQ-LJQANCHMSA-N 431.536 4.985 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 1640868695 RRZNWZIAARCSQR-ROUUACIJSA-N 432.952 4.652 30 10 IJEE CC(C)c1ccc(CSCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 1640894668 CPZKDPLVKOCQDA-HSZRJFAPSA-N 425.573 4.591 30 10 IJEE C=CCN(CC1CCCCC1)c1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c12 1650898069 LITVSFANVGEYGN-UHFFFAOYSA-N 430.618 4.811 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1650972043 GGDYTCVQCXVBML-XCMFGDQWSA-N 437.521 4.579 30 10 IJEE C=CCn1c(S[C@@H](C)c2ncc(Br)cn2)nnc1-c1cccc(OC)c1 1651851398 ZQKNTRRHTFGZHV-LBPRGKRZSA-N 432.347 4.546 30 10 IJEE C=C(CNc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 1651918830 USRDQXSGQSXJKL-UHFFFAOYSA-N 437.521 4.935 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C\C(=O)OC)cc2)nnc1-c1ccccc1C 1652701557 SIEUHGLBRRTLKV-KAMYIIQDSA-N 435.549 4.797 30 10 IJEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1654209902 BFWUQYZAMYRTSW-SFHVURJKSA-N 433.552 4.720 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2cc(F)ccc2Oc2cccc(Cl)c2)n1 1657964166 BRVMMLZUMULWAJ-UHFFFAOYSA-N 427.907 4.750 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(CC/C=C\c2ccc(Br)cc2)CC1 1658215263 GEQSWQVRIFWCNC-WNHCCHMLSA-N 428.349 4.874 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)Cc2cccc(F)c2)c1 1660400985 PPKAAZDTXPIULO-UHFFFAOYSA-N 426.465 4.530 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 1667590137 XXNDSIJUDHXOMQ-DEOSSOPVSA-N 429.520 4.717 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(Br)c(Br)cc2C1)c1ccccc1 1674025757 MDHRDDMGEQJYIC-GOSISDBHSA-N 448.158 4.654 30 10 IJEE COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1C#N 1674297868 BXURHFVOBMCAFW-HSZRJFAPSA-N 449.532 4.825 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](CC)Cc1cccc(Br)c1 1675014209 INSHXFGWEYTXFA-HNNXBMFYSA-N 433.321 4.991 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Br)C3)cc21 1675095825 RILPQLMNOGRVLU-FQEVSTJZSA-N 441.329 4.590 30 10 IJEE C#C[C@H](NC(=O)NCCc1cnc(SC2CCCC2)nc1)c1ccc(Cl)cc1F 1681539733 CKBZLGLKASWBMN-IBGZPJMESA-N 432.952 4.520 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1ccccc1 1682356852 OGGZPDJFNRSIOV-RTBURBONSA-N 425.326 4.869 30 10 IJEE C#CCN(C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)C1CCCCC1 1682983766 ACJMLDUJAKYBOX-FQEVSTJZSA-N 431.536 4.562 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC 1684446595 LLYSYCXUOMKNBQ-FQEVSTJZSA-N 445.604 4.991 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1ccccc1 1686919503 HACRFTDVZBSQLN-YKSBVNFPSA-N 432.545 4.797 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C)CCOCC1 1689859121 WORIGLPWMOCEIK-LJQANCHMSA-N 445.007 4.526 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC(F)(F)C1 1690037482 WIKYNHMERHCPMF-INIZCTEOSA-N 447.327 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CC[C@@H](C)C1 1690039873 VJSQRSGRKNWFMZ-NHCUHLMSSA-N 434.584 4.642 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCSC2(CCCCC2)C1 1690306837 HBRXHDCYFJMHHO-UHFFFAOYSA-N 442.629 4.803 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCSc2nccs2)CC1 1690377958 WXQWFNDMERAULE-UHFFFAOYSA-N 429.590 4.803 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCc2oncc2C1 1690474996 BDLQQQDWYKUPDP-UHFFFAOYSA-N 428.334 4.533 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1690481268 ZASOWUZOBVLMGF-UHFFFAOYSA-N 433.556 4.671 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1CC(=O)Nc1ccc(F)cc1 1690607094 CDNLMCCXWAKMMK-UHFFFAOYSA-N 437.519 4.542 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@H](C)C(C)(C)C2)cc1 1690680119 JLESLHZJMFGVRC-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCCC2(CCOCC2)C1 1690736749 NRBWJKQWYOMXOM-UHFFFAOYSA-N 426.630 4.824 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCCC[C@H]2C1 1705509612 IEMHTZXIYZOZIS-GOTSBHOMSA-N 435.616 4.513 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1705530099 SOBXFDUQEHNTBJ-MOPGFXCFSA-N 442.007 4.533 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(Cl)nc1 1705607064 PBJYMXCQWRHPHD-OAHLLOKOSA-N 425.989 4.688 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1Cc1ccc(-c2ccsc2)nc1 1705620172 MZAXORHFUYIMMR-UHFFFAOYSA-N 431.540 4.791 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCC1CC(OC(C)(C)C)C1 1705673542 CITJUHNFNUXGSW-XYVRPBRGSA-N 436.600 4.930 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC1(C)C 1705693897 LWDJLCPKXOHAMG-CTNGQTDRSA-N 437.588 4.507 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1705724689 HXLBHOADXONQBN-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1705765446 MRNLRWBBOGYKQZ-HXUWFJFHSA-N 445.995 4.916 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1705784446 VUQXYGQKMLOREL-UHFFFAOYSA-N 432.515 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1705790948 KCKPQGLAVAFOIZ-UHFFFAOYSA-N 427.637 4.623 30 10 IJEE C=CCCCCn1c(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1705810366 WDRGGIYRBYDRHO-UHFFFAOYSA-N 444.023 4.938 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1705812695 JEUBUKWMHLCALQ-IRXDYDNUSA-N 431.378 4.775 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1705823014 YUHKXMXWGPSMMD-UHFFFAOYSA-N 440.979 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(C(F)(F)F)c1 1705838167 FHIFYPOHLPFFCJ-UHFFFAOYSA-N 425.817 4.822 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1CC1CC(F)(F)C1 1706743199 FIVYFSZEOXVLPE-JTQLQIEISA-N 430.322 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1722281687 JJAAFWQXIKSMKD-UGKGYDQZSA-N 449.002 4.597 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1nc(C(C)(C)C)cs1 1722304088 UWMSYOKMEOXVNW-QGZVFWFLSA-N 437.613 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccco1)C(C)C 1722511215 XWDKCAQRRGPIAJ-PGRDOPGGSA-N 441.601 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1CCC[C@H](C)C1 1722515375 QNBQQXFVXTVAGS-SFHVURJKSA-N 430.666 4.547 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2sccc2C1 1722531808 XLMUEGBZAJYHMM-UHFFFAOYSA-N 446.523 4.763 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1722540841 QULACVIPUAMGEV-UHFFFAOYSA-N 426.351 4.877 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2CC(OCC)C2)CC1 1722579683 BUIGUBWJGSFATB-LIKPIUCQSA-N 430.637 4.804 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1722591097 FCNCXALDUHOACZ-DEOSSOPVSA-N 444.627 4.971 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@](C)(OC)C1 1722606848 IPQIOLSGOPXFIK-HXUWFJFHSA-N 437.357 4.818 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCCO1)C1CC1 1722654071 PSMOBKNQYFMORK-QGZVFWFLSA-N 437.371 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H](C)c1c(C)noc1C 1722663509 ZJWJVGMRCRRPCP-QGZVFWFLSA-N 448.596 4.927 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)[C@H](C)C1)C(C)C 1722665587 NIQHAJSFIRQYBK-AFXVXQJMSA-N 429.653 4.701 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722673414 RBAZUHUNMFDEHT-KMDXXIMOSA-N 438.616 4.816 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1722733087 WVQGFMWHIVUKBX-KRWDZBQOSA-N 445.036 4.562 30 10 IJEE C[C@@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1 1726548344 HOTYALGHPJFBEQ-LJQANCHMSA-N 434.613 4.779 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCc1nc2c(s1)CCCC2 1740613569 MSPPTYQVMUIHDR-UHFFFAOYSA-N 449.624 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1nccs1 1740633401 GUWFBDHFXBWTIQ-QGZVFWFLSA-N 435.622 4.609 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740675296 MRFYTOJSKARQJA-WIYYLYMNSA-N 442.579 4.686 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1C1CCC1 1740788965 AHCCPLJCCHMVMF-FQEVSTJZSA-N 430.980 4.969 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2conc2COC)CC1 1740830046 SZKGRLUHHVBKBQ-UHFFFAOYSA-N 445.976 4.563 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCC)CC1 1740838161 IAULANKUNITESY-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@](C)(OC)C1 1740879266 DTOSIQFSHPHGPE-OAQYLSRUSA-N 449.393 4.591 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C(C)C)N1CCCC1 1740894042 HGJSNDGSRQXUKM-AZUAARDMSA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1Cc1cnn2ccccc12 1740915017 RKODVLMHKOVMFA-LJQANCHMSA-N 425.540 4.552 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)C(C)C)cc1 1740966927 RXEUBMBKTMYYDE-UHFFFAOYSA-N 444.377 4.884 30 10 IJEE C=CCSCCn1c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C 1741004631 HHIUILXYXMBMBN-GOSISDBHSA-N 439.000 4.865 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccccc1Cl)N(C)C 1741804360 BBYYBJFQOUAMKA-DYESRHJHSA-N 429.012 4.705 30 10 IJEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)s1 1742219152 CJVCCJQAOPPBMH-IBGZPJMESA-N 439.610 4.631 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1CCC(OC)CC1 1748775243 GHJCHTGNDBHTOV-PGYGNJIDSA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCCCC 1748914301 IJYJAVBUQRCSJS-UHFFFAOYSA-N 439.785 4.637 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1CC(OCC)C1 1748914819 OBJUNKYZEQBNEE-PGYGNJIDSA-N 426.630 4.796 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@@H](SCC)C1 1749026982 KDCBBQXVPLSEKP-OAQYLSRUSA-N 428.671 4.986 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCC(C)(C)COC 1749073335 LTNWNMAHIJFVHL-AREMUKBSSA-N 438.616 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 1749125744 XMYZXKXFEFGXEX-KXBFYZLASA-N 447.352 4.594 30 10 IJEE CO[C@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1749158085 HKFNRQFXQIMXES-UXHICEINSA-N 447.505 4.801 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2ccccc2OC)C1 1749284210 HPUNPQDROICXJM-YFVAEKQCSA-N 445.007 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1749375579 DPYJUYSOGSRURP-OALUTQOASA-N 449.640 4.547 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@@H](SC)C(C)(C)C 1749547661 VOWSSHVRKZYWRW-HXUWFJFHSA-N 442.608 4.788 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC1(CC)CCOCC1 1749552841 BRUAKVDELPEQCY-HXUWFJFHSA-N 430.618 4.981 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C 1749575554 TXIDZYMIGGJSAU-LJQANCHMSA-N 447.624 4.591 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1c(C)nn(C)c1C 1749582274 GTPXRKVVBUCBHA-UHFFFAOYSA-N 448.615 4.732 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1749604478 YRKMMBWDFGLLNW-LJQANCHMSA-N 439.947 4.544 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CCc1cccc(F)c1F 1750792769 HPMPTUHWJAQDME-HXUWFJFHSA-N 431.531 4.807 30 10 IJEE C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N)c1ccc(F)cc1 1751208819 HROBHXLZIKXLDL-XWDORNJCSA-N 427.568 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760103996 PTKUQFCEMZHUKI-QZTJIDSGSA-N 439.604 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1760116777 SXMOURKRHYCBMU-NQIIRXRSSA-N 439.991 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N1CCC(C)CC1 1760213646 JZLFVBPGYIGWBR-HSZRJFAPSA-N 445.655 4.826 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnc(C)s1 1760225754 XVPBPMFIKUSFTD-INIZCTEOSA-N 444.004 4.961 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CC1(C)C 1760242842 QAIVRRASNSMVHK-MOPGFXCFSA-N 445.007 4.820 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CC[C@@H](C)C2)CC1 1760258543 NVBLJCJDFHWAOM-PKTZIBPZSA-N 449.643 4.561 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760357762 IMEWVMNOBMQRJP-CRAIPNDOSA-N 442.913 4.750 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(F)CCC2)CC1 1760403871 JMJQRUYOQLIWHK-UHFFFAOYSA-N 425.552 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC(OCCN2CCCC2)CC1 1760409916 MJUAYDKIEHQHKE-UHFFFAOYSA-N 437.632 4.629 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCCCC1 1760411742 RAIONPGFNBUZPM-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1760446327 OBDRPVZYUNZBGV-GOSISDBHSA-N 448.970 4.583 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@@H]1CC 1760448048 WKNNEUGDKGIRHW-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccncc1Cl 1760455886 BVGLQLDQSLPPQU-INIZCTEOSA-N 427.936 4.536 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)CN1CCCCC1 1760457981 OCXVWBLNCGTSEP-OAHLLOKOSA-N 438.439 4.513 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](SC)C(C)(C)C 1760468239 MVOGCVOQIFZXMC-IRXDYDNUSA-N 437.654 4.750 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC1(O)CCCCC1)C1CC1 1760470081 VMIVPZXZVNOQAB-UHFFFAOYSA-N 437.407 4.619 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1OC 1760477503 CAQZRYALWSLCTG-PMVMPFDFSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760482139 BWXIBVQZDDWVKZ-DHIUTWEWSA-N 444.627 4.577 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(CC)C1 1760560578 YYRWFRZMRZMEQC-IBGZPJMESA-N 438.439 4.592 30 10 IJEE CCc1ccc(C[C@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccco3)C2=O)cc1 1772728045 GYQOFRMQOYGQHW-OAQYLSRUSA-N 434.517 4.915 30 10 IJEE COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1 1858203047 JDVFRHPRLJCJEE-UHFFFAOYSA-N 425.897 4.586 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2ccc3nc(-c4ccccc4Cl)oc3c2)c1C#N 1859741915 HOGJDIKFHRNZDC-UHFFFAOYSA-N 435.823 4.960 30 10 IJEE N#Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1c(Cl)ccc(Cl)c1Cl 1860918835 AXZORTMJDLHMCQ-AWEZNQCLSA-N 440.739 4.672 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c(F)c1F 1861786340 YQWCIKCVIGSPHG-FQEVSTJZSA-N 434.502 4.922 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(N(C)C)cc1 1862459255 GBAFVAOLXMJQQU-OAQYLSRUSA-N 446.469 4.794 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2cccc3ccccc23)cc1 1862480730 MYOIORBLUHTTEM-DEOSSOPVSA-N 437.499 4.692 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862482773 TYJYBYXQIZMNCB-LJQANCHMSA-N 433.426 4.629 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 1862507779 UCLPEDYNNAKVAH-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE Cc1cc(C)cc(OCCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2)c1 1862554987 PFQCCYNSKKNDNS-XMMPIXPASA-N 442.515 4.543 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862593487 UKNOKARPCIHILX-LJQANCHMSA-N 427.815 4.556 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862746779 JMFVNXOJWBDXQM-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)c(C)c2)C1=O 1862869720 CROLDTIGYIYWRV-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCC3)C2=O)cc1 1863211604 ZFKNIKPNTULWCG-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1C 1863260368 MKXWMYBTDMAAQM-UHFFFAOYSA-N 439.490 4.749 30 10 IJEE CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867868148 UGHHZWSJJUIIBQ-FCHUYYIVSA-N 437.609 4.525 30 10 IJEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)CCCOc1ccc2ccccc2c1 1870105738 GSZBKBGAWFAEBY-UHFFFAOYSA-N 445.910 4.802 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)COc2ccc(C)c(C)c2)cc1 1870146320 NIUMUDQUEPFCNK-UHFFFAOYSA-N 447.539 4.732 30 10 IJEE CC(C)OCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O 1871345357 LIBOHVCZAZCQIN-JAIQZWGSSA-N 444.325 4.642 30 10 IJEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871383003 AHOWBVUVVXDYKR-HMAPJEAMSA-N 445.427 4.894 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871421248 YCQQJPHHTGOBRK-NHDPSOOVSA-N 448.406 4.676 30 10 IJEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871444892 ZWPBKHLYAGSORL-MOSHPQCFSA-N 428.326 4.848 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)c1ccccc1)S(=O)(=O)C1CC1 1872178494 UGQYFWMAOMBIAN-HSZRJFAPSA-N 442.581 4.526 30 10 IJEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C/c2c(C(=O)O)n(C)c3ccccc23)c1 1873501887 URJGVWFWFWRQEU-WYMPLXKRSA-N 433.537 4.568 30 10 IJEE Cc1cccc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SCCCO)c1 1874228240 ZUKIICSERCCQOB-KOEQRZSOSA-N 438.597 4.572 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(F)c1 1874245091 SMRPHERDIUIWGG-MFKUBSTISA-N 428.577 4.533 30 10 IJEE CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc(Br)c1 1874245421 DHSMQVYAAGOQCO-HYARGMPZSA-N 445.386 4.965 30 10 IJEE COc1cc(/C=N/n2c(CCCOc3cccc(C)c3)nnc2SC)cc(Cl)c1O 1874245448 FTGYPPGWQKRKHY-YDZHTSKRSA-N 446.960 4.570 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874264233 NBMUWRRBZJZQTN-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874340467 LYSSJXZZTLKBEW-KHAGQWAKSA-N 440.400 4.694 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(O)c(OCC)c1 1874355595 ROTSIBMRVJCYEL-ZMOGYAJESA-N 438.553 4.650 30 10 IJEE CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874445553 ZNYUVVLJHAWNAZ-FBTHGLLTSA-N 438.553 4.711 30 10 IJEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c(Cl)c1 1874590469 CBWAWAKHJMQVAU-ZZXKWVIFSA-N 439.689 4.559 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1OCC(N)=O 1874596762 BTWNZLXPFMCUFO-YRNVUSSQSA-N 446.341 4.515 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(N)=O)c(Cl)c2)cc1OCCC 1874612564 ALQHDNVFGUASAQ-VMPITWQZSA-N 431.916 4.678 30 10 IJEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc2c(c1)OCCO2 1874706204 VPPMLGYMYOJUFM-XBXARRHUSA-N 440.373 4.990 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3ccccc3OCC)n21 1875067627 HJCURVYBEZUFJN-GOSISDBHSA-N 446.617 4.965 30 10 IJEE C=CCC1(NCc2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 1922294481 ZIJONGOVMOOYLV-UHFFFAOYSA-N 433.749 4.897 30 10 IJEE C[C@@]1(Nc2cc(Br)cc(C#N)c2)CCCN(C(=O)OCc2ccccc2)C1 1998956905 IJIUJXSMDNWFIF-OAQYLSRUSA-N 428.330 4.924 30 10 IJEE CN(CCN(CC[C@H]1CCC[C@@]1(C#N)NC1CC1)Cc1ccccc1)Cc1ccccc1 2034739125 GWKYAEYGZQPPKD-IAPPQJPRSA-N 430.640 4.825 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038917814 XICGJLWADYXOEO-XTEPFMGCSA-N 434.624 4.817 30 10 IJEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(O)c1 2080042758 KZGGQKPARZNXHQ-SFHVURJKSA-N 434.334 4.825 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3cc(Br)c(C#N)cc3F)CC[C@H]2C1 2162385330 MURCLVPTUWPBEK-CFVMTHIKSA-N 438.341 4.907 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174815352 SBBZNRZUHXTMIJ-SUMWQHHRSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)Nc1cc(Br)ccc1C#N)C1CCC1 2181106418 WAUMWEMKKJATKS-OAHLLOKOSA-N 436.350 4.590 30 10 IJEE C=C([C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229121786 YDAROWCRCOVYEU-ZWKOTPCHSA-N 441.486 4.907 30 10 IJEE N#Cc1cc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 2243909657 BWUHADKFGAXOFB-UHFFFAOYSA-N 443.478 4.955 30 10 IJEE CN(C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 2243909697 CLLGUEHSVRGBQD-UHFFFAOYSA-N 439.515 4.840 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@@H](O)C#CC2CCCCC2)C1 2251469090 UIOIVTSCRJPNCT-OZXSUGGESA-N 427.585 4.775 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2255852589 GIUDPJPTWJKXOG-QAQDUYKDSA-N 430.354 4.522 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1cc(Br)cs1 2261828092 JXZRPZIOHPEJLN-LJQANCHMSA-N 425.344 4.990 30 10 IJEE CC1(C)OB([C@H]2C[C@H](C(=O)NC3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)C2)OC1(C)C 2267568067 GLVLOMLAAYEQKS-CKSHBVQHSA-N 438.421 4.561 30 10 IJEE CC(C)[C@@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccc(Br)cc1)C(F)(F)F 2296221794 LVLXUXJKGSQJKN-GOSISDBHSA-N 448.279 4.852 30 10 IJEE CC(C)n1ncc(C(=O)C#Cc2cccc(Br)c2)c1NC(=O)OC(C)(C)C 2296224821 OFZMKUCUGUQFIG-UHFFFAOYSA-N 432.318 4.808 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(O)C#Cc1cccc(Br)c1 2296225735 YKQWKWARXRYXNR-JTSKRJEESA-N 434.374 4.637 30 10 IJEE CC[C@H](CCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317358285 KKRZSAKDUKHACF-QIXNEVBVSA-N 432.370 4.798 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CC2)cc1 2320885396 ATBPBWKSQYMZCK-UHFFFAOYSA-N 430.574 4.508 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323075917 PQAFIZDMJZUONC-UHFFFAOYSA-N 434.419 4.825 30 10 IJEE COc1cc(C=NNc2nc(C)cc(O)n2)ccc1OCc1ccc(Cl)cc1Cl 2323106069 YVNIGCVBNTXGAU-UHFFFAOYSA-N 433.295 4.831 30 10 IJEE CCOc1ccc2ccccc2c1C=NNc1cnn(-c2ccc(OC)cc2)c(=O)c1Cl 2323230929 VCAOAKUJNSXERP-UHFFFAOYSA-N 448.910 4.892 30 10 IJEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c1 2324035307 FCQXJWLIWGBINA-UHFFFAOYSA-N 429.472 4.680 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2324745311 MOFQNVSIKZLOPH-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2325068418 HZGOAUMNBKHXEX-UHFFFAOYSA-N 445.309 4.952 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325493066 HIPNTQXLYWTZME-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325549835 PWNXEHANMWVHJA-UHFFFAOYSA-N 435.863 4.988 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2cnnc2SCc2c(F)cccc2Cl)ccc1Cl 2325669247 CGJOCQCSMMQKMV-UHFFFAOYSA-N 426.260 4.807 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccnc1 2328691488 FLFQWHRLCMMOGN-UHFFFAOYSA-N 429.549 4.641 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)c(OC)c1 2328796583 DVDOXQROQZHGOV-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 2329672137 ASVCYWIYVXQNJQ-UPVQGACJSA-N 449.595 4.907 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(Br)cc1 2330507357 DEEXTFJUUWPOOB-FQEVSTJZSA-N 435.406 4.930 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2O)cc1 2330556727 BMIQHHSCLYYDLV-UHFFFAOYSA-N 437.506 4.795 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccc(F)c1 2330596352 RQXNRMMAZZCVNF-UHFFFAOYSA-N 445.589 4.769 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 2330953274 KDEHNNGFLOGWMM-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE C=CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2330974570 QWEFNQHAABZJOS-IBGZPJMESA-N 430.574 4.868 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1O 2331154792 FTBPDQUCVNXELR-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(I)c(Br)c1 2339576433 IDSBPUADTOXLCB-DOMZBBRYSA-N 432.143 4.754 30 10 IJEE C=CCC1(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339586414 FNLACQZATFVZIL-WYMLVPIESA-N 441.381 4.704 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339599658 HDWUNHLQCHNZFA-LJQANCHMSA-N 444.381 4.895 30 10 IJEE CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 10013742 NJZJMONEIQNPEM-HSZRJFAPSA-N 448.494 4.797 30 10 IJEE COc1cc(/C=C2\COc3ccc(Br)cc3C2=O)cc(OC)c1OC(F)F 23609316 WMKUSMJOBHKKTN-VZUCSPMQSA-N 441.224 4.726 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(OC)cc2)Nc2cc(C)ccc2C)c1C 32972249 ZWNVBPPGRNNWSH-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)C(C)C 36051360 ZUXPUABMNQXQJG-UHFFFAOYSA-N 430.552 4.765 30 10 IJEE C=CCc1ccc(OCCCCn2c(CNC(=O)C3CC3)nc3ccccc32)c(OC)c1 40190816 SHTCDDZZKVHZBU-UHFFFAOYSA-N 433.552 4.659 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCCC(=O)Nc1cccc(OC)c1 59265705 DBAJCOWDPXYXEW-UHFFFAOYSA-N 437.569 4.514 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1cc(Cl)cc(Cl)c1 59311246 GRGMRQXFLNUGDE-UHFFFAOYSA-N 427.361 4.964 30 10 IJEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2)c1 66437594 HUTJLGVBNVSLBV-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE biogenic CC/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1 103886009 RJDQGDMFGQZOSN-VFOOBRQFSA-N 428.385 4.975 30 10 IJEE COc1ccc(/C=N\n2c(S)nnc2Cc2ccccc2)cc1OCc1ccc(C)cc1 169911565 RMWCPSKERHOPTC-QQXSKIMKSA-N 444.560 4.936 30 10 IJEE CCCOc1ccc([C@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1Br 169930038 MIODHQPXEQPHNX-LJQANCHMSA-N 437.403 4.886 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)cc1 169994600 WRJXHHJPKLTIOL-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccncc1 170016286 AJQSBDOGFWINPO-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccco1)c1ccc(F)cc1 170096761 HDLFOVSJBRATGQ-HXUWFJFHSA-N 425.843 4.893 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)cc1C 170162950 ZXOMSLPEAQKUIV-NRFANRHFSA-N 434.517 4.629 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccn2)cc1 170171058 UKBKLPMBOQIRLN-VOIUYBSRSA-N 440.499 4.750 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4cccc(Br)c4)CC3=O)n2)cc1 170180070 UYCUNWFYELYYTE-UHFFFAOYSA-N 426.339 4.598 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)cc1C 170188269 PXAVNKKLRSNEPL-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)c1 170225402 FEDWLXYHFDHUQO-XMMPIXPASA-N 441.483 4.858 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccccc3C)oc12 170273866 BXLRWLFGGSIQPS-JTSKRJEESA-N 447.487 4.507 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302523 HIYLXPCUAQFTQG-JOCHJYFZSA-N 431.444 4.716 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1cccnc1 170317013 ISIYIDCYHSWEQO-OAQYLSRUSA-N 446.528 4.555 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(OC)cc(OC)c2)cc1 170390317 ONNMITJBJXRGSL-JOCHJYFZSA-N 433.460 4.642 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 170418060 AIZJQYAVTZJHFQ-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CC(C)(C)Oc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(O)cc2)cc1 170447986 KYTWTKWWKPWJTE-QFIPXVFZSA-N 447.487 4.941 30 10 IJEE CC(C)[C@]1(C)CSC(=Nc2ccc(I)c(Br)c2)N1 398488257 FIGSYNZGHHSNDV-ZDUSSCGKSA-N 439.160 4.792 30 10 IJEE C[C@@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](c2ccco2)C1 440836648 VGIXMDRHSVDQCD-VQIMIIECSA-N 434.496 4.615 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC(=O)Nc1c(C)cccc1C 460800961 GQUBMSXAXZPWBO-UHFFFAOYSA-N 442.567 4.705 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC2(CCOCC2)c2ccccc21 460809136 LRFZOCBUALUANO-UHFFFAOYSA-N 430.552 4.771 30 10 IJEE Cc1csc(NC2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)n1 474814923 HQRBYDLWNNORTF-UHFFFAOYSA-N 432.549 4.619 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2)cc1Br 526799461 KSKIPNQSRLIQLM-MTJSOVHGSA-N 431.359 4.922 30 10 IJEE Cc1nnc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(C#N)c1C 545977952 AJYFOVOMCQAQNQ-INIZCTEOSA-N 430.352 4.581 30 10 IJEE CCOc1cc(Br)c(Cc2noc(Cc3cccc(C#N)c3)n2)cc1OCC 546952734 GFUYMPLSDALOCH-UHFFFAOYSA-N 442.313 4.683 30 10 IJEE C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549273230 WTAOSKIRLJCNFD-FOIQADDNSA-N 427.980 4.973 30 10 IJEE COc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2cccs2)c(OC)c1 549572582 AEJUKMUJSVXDMN-UHFFFAOYSA-N 445.548 4.580 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 575731246 FWFOGYXJQJLODR-SFHVURJKSA-N 438.494 4.857 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 586138237 SJGJHWZTFLYLMM-UHFFFAOYSA-N 440.952 4.920 30 10 IJEE Cc1ccnc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586273181 RMBUQXPANDRVLQ-UHFFFAOYSA-N 446.315 4.604 30 10 IJEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)c(F)c1 609255739 KELJGJQHHSNMFC-UHFFFAOYSA-N 439.899 4.757 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1 609521731 BGTRJPQEGBAILM-UHFFFAOYSA-N 447.608 4.876 30 10 IJEE N#Cc1ccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c(F)c1 612627838 BENXCPXRWMPCEA-MRXNPFEDSA-N 444.226 4.953 30 10 IJEE COc1cc([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)cc(Br)c1O 698963672 XULGBCMKEZGGMT-ZDUSSCGKSA-N 440.298 4.665 30 10 IJEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)c1cc(Br)c2c(c1)OCCCO2 712311516 JKLMGWUENKKMPF-INIZCTEOSA-N 437.334 4.965 30 10 IJEE C=CCC1([C@H](NCCC)c2c(F)cncc2Br)CN(C(=O)OC(C)(C)C)C1 722941983 YVNOZGXVIAWKTB-QGZVFWFLSA-N 442.373 4.837 30 10 IJEE O=C(/C=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc(C(F)(F)F)nc1O 743058396 YIGIPUOXLFTFFC-BOTMBNHJSA-N 427.806 4.913 30 10 IJEE Cc1ccnc(C2CCN(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)n1 758658603 KPOAWJSNPWNQRB-LJQANCHMSA-N 425.536 4.974 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@@H]3CC[C@H]3C)C2=O)cc1 795181628 CYNDSJCRJHJKCR-ZNOIYHFQSA-N 441.578 4.710 30 10 IJEE C[C@@H](Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1)C(=O)N(C)C 1084529174 DAABTVSVYIAVPR-CQSZACIVSA-N 442.548 4.717 30 10 IJEE C=CC[C@]1(C(=O)Nc2cnn(-c3ccccc3F)c2C)CCCN1C(=O)OC(C)(C)C 1127370068 YXWFGEZTMNLCKT-HSZRJFAPSA-N 428.508 4.604 30 10 IJEE C=CCCCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1129442802 AJXUISKFNBHFER-UGKGYDQZSA-N 425.500 4.922 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccccc2N(C)CCC)nnc1-c1ccco1 1131817451 ZSYSGPGKWNFDNU-UHFFFAOYSA-N 425.558 4.691 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCc2ccc(Cl)cc21 1131944345 CXAIKXUNFJJWIY-KRWDZBQOSA-N 449.732 4.555 30 10 IJEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1)C(C)(C)C 1133977498 WEHGARGKOJGGKN-UHFFFAOYSA-N 444.984 4.595 30 10 IJEE C=CC1(CC(=O)N(CC)Cc2cccc(Br)c2)CN(C(=O)OC(C)(C)C)C1 1136183329 ZPVPJSRKCVVHQE-UHFFFAOYSA-N 437.378 4.611 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)COc1ccccc1C(F)(F)F 1136409164 KAVGRWDFYSJCKN-WBVHZDCISA-N 444.494 4.839 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 1137176027 IPEMMTIGUGDNKC-HRTMPFAESA-N 435.653 4.595 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC3(CCC(N(C)C)CC3)CC2)s1 1141431312 HPQXOMOKOVGLOM-UHFFFAOYSA-N 442.094 4.952 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)s1 1153375348 XDQPZTQEDKTGHD-NRFANRHFSA-N 446.638 4.632 30 10 IJEE C=CCn1c(SCc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CC[C@H](C)C3 1164417825 FASPNWIWHHLADF-ZDUSSCGKSA-N 427.551 4.969 30 10 IJEE C=CCn1c(SC[C@@H](OC)c2ccc(F)cc2)nnc1[C@@H]1COc2ccccc2O1 1164611004 IGECOHAMSYPZAA-VQTJNVASSA-N 427.501 4.596 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@H](C3CCCCC3)C2)cc1 1171804441 BUDGRSFOBBRGLP-NRFANRHFSA-N 434.584 4.815 30 10 IJEE C#CCN(Cc1cn(C)nc1C1CCCC1)[C@H]1CCOc2ccc(Br)cc21 1180292144 IETFHDNHCFVFFO-FQEVSTJZSA-N 428.374 4.799 30 10 IJEE C=CCN(Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1193413439 NKTHSHVKOHOUGE-QFIPXVFZSA-N 426.463 4.782 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2cccc(Br)c2OC(F)F)cc1 1200561917 HTVGFGMIWQSTCW-UHFFFAOYSA-N 426.261 4.970 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 1201313802 CYHNBXRFGDEJBB-DEOSSOPVSA-N 447.551 4.633 30 10 IJEE C=C(CC)CNCc1ccc(OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OCC)c1 1202805568 RPRRKBWTTJUBTD-RLWLMLJZSA-N 428.617 4.947 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC)c1ccccc1 1213548777 NXUKKBHZUBLTIB-GOSISDBHSA-N 441.471 4.868 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccc(C(F)(F)F)cc1 1230693991 OPOISJSJBSNBFO-LPHOPBHVSA-N 425.495 4.611 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)cc1 1251230423 OWDGINFGOQIQRA-UHFFFAOYSA-N 442.494 4.719 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCN(C(=O)OC(C)(C)C)C1CC1 1276765798 CJQJRCIEKKQRRQ-OAHLLOKOSA-N 439.478 4.736 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(CC=C)c3ccc(Cl)cc3)c2)C1 1280378118 CQFKSIWWYKHXSQ-GOSISDBHSA-N 444.984 4.760 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(CC)CCOCC1 1286278046 KSVKTOXZENZQHG-QZTJIDSGSA-N 430.980 4.736 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@@H]1C 1286316435 CDZRUWAXBSQUIL-AWEZNQCLSA-N 437.382 4.592 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286428985 PZRQZHNRMRYLMO-DNQXCXABSA-N 446.639 4.870 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCOC(C)(C)C 1286454081 FURIRHSKEBCFTK-UHFFFAOYSA-N 441.938 4.588 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CCOCC2)C1 1286498163 CDZOPWNXEASODO-UHFFFAOYSA-N 438.641 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@](C)(O)c1cc(C)oc1C 1286528384 YLIBUBVOCDULII-SXOMAYOGSA-N 446.595 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCC1CCN(CC)CC1 1286570892 DHBGHKLNMXARCM-UHFFFAOYSA-N 434.632 4.961 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](COC)C1 1286603659 WDPSRQNVLRKJQN-INIZCTEOSA-N 439.387 4.707 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)O[C@H](C)C1 1286621460 DFYVRDQQQXASQL-GASCZTMLSA-N 429.977 4.743 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCCC[C@H](SC)C1 1286635803 BPNZNSVUJVSSEU-KRWDZBQOSA-N 437.009 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286674703 UMSPDUFVAMLHHA-UHFFFAOYSA-N 444.645 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC1CCOCC1 1286675175 MFKOGAYPPXAVCZ-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCSc1ccc(C)cc1 1286717943 QQARQGIVLQQAHS-UHFFFAOYSA-N 432.391 4.759 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](C)N1CCCCC1)C1CC1 1286735765 MGBIVUSOGYRFRS-IBGZPJMESA-N 428.024 4.942 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1286738984 LCHKFXYUESPVSB-IEBWSBKVSA-N 449.521 4.814 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286741047 BCHWGFITKGEION-HATOLVCRSA-N 430.556 4.541 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCC2(C)C)C1 1286806920 YUIVRZZXSXPNOP-UXHICEINSA-N 440.588 4.570 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)cn1 1286962732 FZSKSJBMUIUNJN-HNNXBMFYSA-N 442.926 4.564 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1289072362 DQCNGRJZDBDXDD-FUHWJXTLSA-N 444.352 4.834 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)CC 1296871945 GRAFFMQGYQBBDQ-UHFFFAOYSA-N 425.577 4.822 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1300385728 DDELJZWPEAYLCE-DHIUTWEWSA-N 431.584 4.855 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1noc2c1CCCC2 1300563569 KWSUHSSPBJCECD-UHFFFAOYSA-N 441.579 4.621 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCOC1CCCCC1 1300647582 FUELBGMPABRRPX-UHFFFAOYSA-N 435.547 4.792 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1300824295 QWKWFAWMZJPEAS-IBGZPJMESA-N 428.378 4.641 30 10 IJEE C=C(Br)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCSC 1300839508 JVZCDEAXQWAFFF-UHFFFAOYSA-N 434.407 4.535 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1301026907 DTVIWADELOZQSN-HNNXBMFYSA-N 434.302 4.543 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(N(CC)CC)nc2)CC1 1301111738 CHBXWMPTIGTAKJ-UHFFFAOYSA-N 446.599 4.646 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1301133860 BMWKUDITKAEJNI-IBGZPJMESA-N 426.458 4.838 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1301152143 UVWAHNMRARWWBX-PKTZIBPZSA-N 433.600 4.715 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 1301196961 BUDPLEIUEAEFOV-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1C[C@@H](C)O[C@H](C)C1 1301359889 RDAZQZMADKOHSU-QZTJIDSGSA-N 425.602 4.741 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC(C)(F)F 1302139526 FOIMMKPLUKUZNF-UHFFFAOYSA-N 431.531 4.831 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(C)(F)F)cc1 1303094716 ICBYLKXBBFAAIQ-JOCHJYFZSA-N 435.494 4.857 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1307685108 RVZXPKHTABPMFQ-IBGZPJMESA-N 447.329 4.520 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCN(c3ccccc3F)C2)cc1OC 1308355109 CLQBVHYFGCKDRL-QGZVFWFLSA-N 449.364 4.920 30 10 IJEE CC(C)(NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(Cl)c(Cl)c1 1309117184 DDPNHOPYYPSOBH-UHFFFAOYSA-N 448.169 4.841 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 1310213493 JBSHZMRMTJAIJY-UHFFFAOYSA-N 437.584 4.986 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1)c1ccc(F)cc1 1312935061 WELFQACPVQTTHU-MOPGFXCFSA-N 433.346 4.839 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)cc1 1312944015 DFQLVAKJWOLVGQ-UHFFFAOYSA-N 444.623 4.886 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(-c2cc(C)n(-c3ccc(C)cc3)c2C)cs1 1349600449 ISZPOFJBBQGCGJ-NRFANRHFSA-N 436.581 4.935 30 10 IJEE C=CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc([C@@H](C)CC)cc3)CC2)CCCCC1 1355578663 HWZDLALZKNJIMP-FQEVSTJZSA-N 432.630 4.560 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 1356231504 CVEFIUQDJFSVJT-UHFFFAOYSA-N 426.245 4.577 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCc3cc(C)c(Br)cc32)c(OC)c1 1358015933 FOQFSLLXZWHARR-UHFFFAOYSA-N 430.342 4.853 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCCCC1 1358875584 SHSUHUHWDIFRFT-NRFANRHFSA-N 444.627 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OCC2CC2)nc1 1358899706 SMZOMVQVBHCBBH-IBGZPJMESA-N 447.608 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)c1ccccn1 1358985702 FMEZDSRUBUOKOI-QHCPKHFHSA-N 425.580 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](CCC)OC 1358986909 LLSVACXFUGIQJS-NRFANRHFSA-N 447.608 4.655 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C(CC)CC)N(C)C 1359003394 JHEFKAJHZROEKD-NQIIRXRSSA-N 441.689 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1ccncc1Cl 1359074138 RZXNLSZJEMEZQR-JOCHJYFZSA-N 442.350 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1359097654 RMHQPIFAOPEJGU-ZJBJCVSYSA-N 439.510 4.797 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCc2nc(C(F)(F)F)cs2)CC1 1359163263 XBOTYPJMACXLJX-UHFFFAOYSA-N 437.466 4.959 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1359178553 VBJABFPVCVYVBX-NFBKMPQASA-N 437.632 4.704 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)c2cccc(OC)c2)CC1 1359179822 HPYDGBHFLGYPCF-UHFFFAOYSA-N 431.584 4.653 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C)(C#N)CC1 1359209926 DKEIFINKQJLDLO-UHFFFAOYSA-N 444.377 4.812 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1359210669 CITYSKRSSYEMRK-UHFFFAOYSA-N 433.556 4.520 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCN(C)c1ccccc1 1359234771 ZVXOWOWVFVEOLE-UHFFFAOYSA-N 446.418 4.918 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCC)CC1 1359339875 TVTBLDLFZOMRIT-NRFANRHFSA-N 425.602 4.521 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 1359853008 CUAVTEOXKABIIX-UHFFFAOYSA-N 443.334 4.724 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1359890026 GXQSGFBFKHZSMT-VWLOTQADSA-N 432.572 4.501 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)C1 1360138050 AGGJWVPIZKEAHL-FPOVZHCZSA-N 432.572 4.728 30 10 IJEE CCN(C(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)c1ccc(C#N)c(Cl)c1 1435577959 BGMAJSHAPGXGRR-UHFFFAOYSA-N 426.854 4.831 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1437616286 CFAPPGRKWUOIAO-WMZHIEFXSA-N 438.593 4.693 30 10 IJEE C#CCN(C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1)C(C)(C)C 1439386719 CZFHBWXAOPFRLI-UHFFFAOYSA-N 430.342 4.911 30 10 IJEE C=C(C)[C@@H](NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)c(F)c1 1447970443 JLIWYQNXSKXWTA-XMMPIXPASA-N 436.458 4.921 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 1448883335 MUYGCFPNMKJHBR-NRFANRHFSA-N 449.364 4.675 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1456894707 KGIILUAJGBZJJZ-YUDQIZAISA-N 428.554 4.666 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)Nc2ccnc(OCC(F)(F)F)c2)c1 1458375249 IECAZRJPGVUYCN-UHFFFAOYSA-N 427.382 4.726 30 10 IJEE CCCCn1c(SCc2cc(O)n3ncc(C#N)c3n2)nc2cc(C(F)(F)F)ccc21 1458871630 CMRJLGZWYNBDPF-UHFFFAOYSA-N 446.458 4.767 30 10 IJEE C#Cc1cccc(N(CC)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c1 1459753480 KZKNJNOGQQBZPU-UHFFFAOYSA-N 428.511 4.610 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 1459977014 GQPUPTHAXOUUTM-LJQANCHMSA-N 433.733 4.872 30 10 IJEE Cn1cc(CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccc(Cl)cc2)cn1 1460036041 BUDMWELTBAXZIM-UHFFFAOYSA-N 442.350 4.630 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)[C@H](O)c3cccc(Br)c3)c2)c1 1464186785 CYCVWTVYJPBWGP-OAQYLSRUSA-N 437.293 4.572 30 10 IJEE CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN1Cc1ccccc1 1465431418 HSBZLRDTUMNSQL-HSZRJFAPSA-N 441.535 4.874 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1cc(N2CCOCC2)ccc1Br 1466563828 IAFDSXBGJWVEKD-UHFFFAOYSA-N 436.394 4.886 30 10 IJEE C#CCOc1ccccc1NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 1466979181 PWPOVDAMLLNQQD-FQEVSTJZSA-N 434.536 4.896 30 10 IJEE CCCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](C)c1cc2ccccc2o1 1469762167 DXZLWPWROTXCGO-AVRDEDQJSA-N 444.535 4.983 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 1470135293 BHCWUHOGKWXUMT-QFIPXVFZSA-N 446.469 4.685 30 10 IJEE Cc1c(Br)cccc1CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1471305156 HZHYZJCVNKWISL-CTNGQTDRSA-N 426.358 4.781 30 10 IJEE C#CCN(C(=O)NCC1(OC)CCCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1471543072 AWBZSQHSBVJHGL-LJQANCHMSA-N 449.389 4.657 30 10 IJEE CC[C@H]1COC(C)(C)CN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1473615486 CKBYZQTXWYOMEN-SJORKVTESA-N 431.646 4.989 30 10 IJEE C#CCN(C(=O)Nc1ccc(C)c(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1475829295 OCDJQAIWFGYWBI-UHFFFAOYSA-N 439.478 4.880 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 1476446694 RQGKKPBXOPDWRQ-KRWDZBQOSA-N 430.348 4.820 30 10 IJEE CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Nc1ccc(C#N)c(Br)c1 1476571111 CPFNECOFCJARKJ-UHFFFAOYSA-N 438.329 4.952 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC([C@@H](O)c4ccc(OCC)cc4)CC3)cc2n1 1477122042 LGPHYYAQYZUNRA-DEOSSOPVSA-N 434.540 4.599 30 10 IJEE C#CC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 1477580539 VJUFTQQPCVUKGQ-PXDATVDWSA-N 439.515 4.648 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 1477913277 OUQBFHSJRKJRAF-QAQDUYKDSA-N 433.321 4.898 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1478711062 LICXVHFPGNWHCD-UHFFFAOYSA-N 427.539 4.984 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)SC)C1 1502966552 FDOZJSFPDPXTRM-HXUWFJFHSA-N 427.618 4.744 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N1CCCCC1 1503476573 BWJVKJKVEPVTOR-QFIPXVFZSA-N 446.599 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC[C@@H]1OC 1507518997 OWJZSVXQZURIFY-XZOYJPPVSA-N 431.584 4.626 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1507545573 LGKXXMCKMWJGRX-KRWDZBQOSA-N 447.539 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1c(F)cccc1F 1507795778 FLQNVCBRHYTUNP-YHYVQYDKSA-N 446.542 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507819998 XPBYBFFIQSPHLX-NRFANRHFSA-N 437.632 4.607 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1507891733 FRENOMKMJKETAD-NBGIEHNGSA-N 441.595 4.663 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1507930998 ODLRLEDIXRHUEX-QFIPXVFZSA-N 439.510 4.861 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1507946050 IFCOMEACIILONW-SFHVURJKSA-N 429.996 4.697 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OC(C)C)CC1 1507958662 AQHXOIDWFCRTKZ-UHFFFAOYSA-N 436.959 4.724 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccnc(SCC)c1 1507971971 DVXAPDMKYIMJPV-UHFFFAOYSA-N 431.512 4.724 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 1508007449 CBUMQQFDRHCZBL-SFHVURJKSA-N 430.618 4.664 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccsc1 1508007627 DUUNZMPSCXEOOP-HSZRJFAPSA-N 426.561 4.847 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1(O)CCC1 1508010082 KGHWLDUSXCYKLV-UHFFFAOYSA-N 431.584 4.836 30 10 IJEE CC(C)(C)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(COCC(F)(F)F)c1 1508490189 GAOROFJYOWUDEU-UHFFFAOYSA-N 449.521 4.833 30 10 IJEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC2CCCC2)CC1)OC 1514331325 DWJOABOCPSEFOZ-HSZRJFAPSA-N 437.588 4.560 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)Cc2cccc(Br)c2)cc1OC 1519657558 GLRIKZGXIUWIPL-PXUDHTSWSA-N 430.342 4.783 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1CCC)c1ccc(Br)cc1 1525055095 WRUQXXFOUOBRGQ-YMPZKCBVSA-N 439.397 4.788 30 10 IJEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CCCCC1 1526184804 VIBKZRYBYUWHPT-DAFNUICNSA-N 431.602 4.745 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(C)oc(-n2cccc2)c1C#N 1527807427 SNCDQHFLAGMVKR-UHFFFAOYSA-N 442.288 4.980 30 10 IJEE C=C[C@@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 1532388328 WJKHOTGLGITJBD-HSZRJFAPSA-N 427.566 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC2(CCCCC2)O1 1539029892 LJJYJKMKOMHTNJ-VXKWHMMOSA-N 436.600 4.814 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](OC)C1 1539052569 GFOROOUUCKTMIL-ICSRJNTNSA-N 430.980 4.717 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2cccc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1539086501 HEOQOUXVSOIEHS-RDGATRHJSA-N 440.563 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1sccc1Br 1539563061 FWBQPEIWWJTBLM-HXUWFJFHSA-N 433.419 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCSc1nccs1 1539563098 GKZQEBDGWYVABU-HSZRJFAPSA-N 437.638 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCN(C)CC(F)(F)F 1539659223 OYKNUSKBOODAQS-UHFFFAOYSA-N 433.881 4.634 30 10 IJEE C=C(C)COCCn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1539759429 HQUIKDIOZYJKOI-UYAOXDASSA-N 448.533 4.975 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC1CCOCC1 1539778815 IEFYHQHYJZXXSD-UHFFFAOYSA-N 439.991 4.968 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@](C)(O)C(C)C)CC1 1539854243 OUNZPOKKAVMJBB-DEOSSOPVSA-N 447.023 4.815 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C 1539917016 QDSVVONLSOUEDS-RTBURBONSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](OCC)C1 1539986107 UKXWWOVNLITIGE-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1540006558 DVNXXAQBXYGLEI-XHDOVSQSSA-N 443.642 4.535 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H]1OC 1540121664 LVHHTAIVNOGQCL-FCHUYYIVSA-N 431.540 4.726 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@H]1C 1540129067 RDOCMAZVQAAPDX-YKSBVNFPSA-N 433.600 4.748 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(OC)C1CC1 1540135717 ACNHHPSSSBQCQH-URXFXBBRSA-N 428.552 4.667 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2N(C)CCCC2(C)C)C1 1541375862 CVCWOIHXXCOKGY-DHIUTWEWSA-N 434.632 4.810 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)N1CCCC1 1543898913 DWIIPWMAJPNERH-AGILITTLSA-N 434.632 4.952 30 10 IJEE C=CC[C@@]1(C(=O)N2CCCc3c(OC(F)F)cccc32)CCCN1C(=O)OC(C)(C)C 1544207931 NGRGCHNTMBTHEF-QHCPKHFHSA-N 436.499 4.913 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)CCCN1C(=O)OC(C)(C)C 1544382399 DWHAHFRGCBDPSW-AREMUKBSSA-N 439.600 4.650 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)c2)cc1 1558111943 AZZWTNDGYSPAGS-VXKWHMMOSA-N 439.437 4.566 30 10 IJEE C=CCN(Cc1cc(OC)ccc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1559752449 YBFVNCZZLRDQBP-OAQYLSRUSA-N 432.358 4.620 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)c1 1562320214 GAWKKSJERWKXCJ-OAHLLOKOSA-N 437.244 4.686 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)CC1 1562581730 DFXRYLUEORECTR-UHFFFAOYSA-N 427.932 4.836 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 1565032199 OLHJASXYIQCAHD-VQTJNVASSA-N 436.552 4.874 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1c(I)ccc(Br)c1F 1583437393 RKZUGRFRQSZVND-VIFPVBQESA-N 440.094 4.667 30 10 IJEE C=C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@H](C)C2 1585421808 NPCBMTKXHYTTKU-XPQNRWRISA-N 428.532 4.643 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 1587165696 YIWCMJBMGQHADL-NJDAHSKKSA-N 431.454 4.915 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N[C@@H](C)CC 1587575646 ZIMXJMWISVNQGV-GJZGRUSLSA-N 444.004 4.576 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cccc(OC)c1 1587823230 MZVOYRWWWQEDRF-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CN(C)CCC)C1 1587827308 KNQOZFJJTAQWRF-KRWDZBQOSA-N 434.415 4.833 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H](c1ccsc1)N(C)C 1588550304 MUOYKADDJWHMJG-JOCHJYFZSA-N 439.604 4.620 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1589316419 BOEJUPIHKULSRA-MSOLQXFVSA-N 449.393 4.502 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H](C)CCC 1589421747 WZVGLGWASHMIGF-CYBMUJFWSA-N 427.337 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 1589505559 NAPUUBRQFUJKFZ-QUCCMNQESA-N 445.489 4.577 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1593611553 XHERDHBGOJXVJT-INIZCTEOSA-N 431.968 4.526 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1593711993 OGKLZPBQNRBMDK-CABCVRRESA-N 439.423 4.844 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1593758130 VLKXHXPHHKUUPG-XMMPIXPASA-N 443.680 4.552 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2ccccc2C)nnc1[C@@]1(OC(C)C)CCOC1 1593932575 KRSQNCRDUHSION-NFBKMPQASA-N 430.980 4.721 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCN2CC)CC1 1594127636 CGPJHURAZMESCR-FQEVSTJZSA-N 429.996 4.541 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1594229813 UUDYEUGHSKPLFH-QFIPXVFZSA-N 444.627 4.962 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1C(C)C 1594573527 SUFONENXWPQEFL-IBGZPJMESA-N 444.649 4.528 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1594600352 RZCXIUJTINFVAX-FQEVSTJZSA-N 439.585 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC(F)F 1595161515 CEAPTWJRPHVCPW-KRWDZBQOSA-N 446.523 4.686 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1595170866 LIGPFBXWJRPBQZ-OFVILXPXSA-N 426.653 4.695 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1C[C@@](C)(O)c1ccco1 1595251527 UGZGSWVDOZVHOS-RUZDIDTESA-N 432.524 4.582 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@@H](C)[C@H]1C 1595901128 PZVXMKJJRLVBSJ-MOPGFXCFSA-N 432.659 4.723 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CC(F)(F)C2)c1C 1611824658 DMBPLMIOYGMAFC-IIBYNOLFSA-N 433.478 4.522 30 10 IJEE N#Cc1ccc(N2CCN(CC(=O)Nc3cccc(Oc4ccccc4)c3)CC2)c(Cl)c1 1617581504 AQUNVVHVNAVPOS-UHFFFAOYSA-N 446.938 4.765 30 10 IJEE C=CC[C@H](C(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1)c1ccccc1 1623807291 YYHCFPNNWVGBKR-DEOSSOPVSA-N 447.604 4.823 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@](C)(O)c1ccccc1Cl 1625538511 JMONAUMIYIJJAM-LJQANCHMSA-N 439.737 4.697 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 1626788537 ALRJZCQIODNSOK-UHFFFAOYSA-N 434.540 4.578 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCN(c2ccc(F)cc2)CC1 1631446738 BLAGGKYWQVAFKW-IBGZPJMESA-N 444.510 4.639 30 10 IJEE C=CCc1cc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc(OC)c1OC 1631479686 LBZWBTIXLLEKFY-UHFFFAOYSA-N 444.531 4.923 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCC1(C)C 1639766148 AHYMCPQYEZWITP-OAQYLSRUSA-N 430.545 4.833 30 10 IJEE CC(C)CC[C@@H]1CCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1642162588 HKKYXDFHDKYPOI-LEWJYISDSA-N 440.632 4.647 30 10 IJEE CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)c1nc(C#N)c(Cl)s1 1642578642 CHWUFYAWTQKUJU-LBPRGKRZSA-N 442.766 4.625 30 10 IJEE C=CCC1(O)CN(C(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1 1644588857 IPODYTIRKJGESE-SVFBPWRDSA-N 445.625 4.546 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cncc(OC(C)C)c1)c1ccc(C(F)(F)F)cc1 1654702878 RXDYZRKOMXQQCQ-IBGZPJMESA-N 428.476 4.873 30 10 IJEE C#CCN(Cc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CCOc2ccc(Br)cc21 1658568809 GLAVUJMGFVVDGB-HXUWFJFHSA-N 429.314 4.933 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)c1ccccc1 1659378361 PKULGPZMDRSOJR-QFIPXVFZSA-N 441.597 4.963 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl)c1ccccc1 1662323645 MWEWKFZGHASKOR-OAHLLOKOSA-N 433.154 4.799 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2ccccc2)cc1 1664988613 DATYAHSLEDTGIE-NRFANRHFSA-N 446.450 4.654 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(OC)n1 1667620272 AAOJVYWZQQYRRH-UHFFFAOYSA-N 438.871 4.738 30 10 IJEE CCC(CC)(CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N[C@H](C)c1ccccc1 1669048424 GFDHQJWSYHTTMM-JOCHJYFZSA-N 447.627 4.690 30 10 IJEE C=CCCSCCNC(=O)Nc1cc(OC)c(Br)cc1Br 1671439041 QAISYIUYEYUOSU-UHFFFAOYSA-N 438.185 4.651 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC(Cc3nc(C(=O)OCC)cs3)CC2)c1 1674221790 XKKMWWFMNOSLME-UHFFFAOYSA-N 443.569 4.761 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCCc2ccccc21 1675037949 LNEVBCLPHSVJRW-KNQAVFIVSA-N 425.935 4.780 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 1681043494 CUYKRAHPJLINLC-HXUWFJFHSA-N 426.303 4.699 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCCCC1 1690218399 FBRNVXPXWXNQEC-UHFFFAOYSA-N 446.393 4.825 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1690225514 BEVSDQBXTLUBNF-HZPDHXFCSA-N 441.377 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1690238175 GDZMAJQABQAVCV-JWPKLBNJSA-N 428.552 4.773 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)cc1 1690245155 DLAZIKCYTMRVKC-PKOBYXMFSA-N 431.378 4.536 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(CC)CCC2)CC1 1690362377 ATLBEQCZMPBRLP-UHFFFAOYSA-N 427.980 4.598 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)c1cccc(C)c1 1690461346 YAFOFQQLTOVATN-UHFFFAOYSA-N 438.601 4.671 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1sc(C)nc1C 1690517601 IAAWAONKYKILIW-UHFFFAOYSA-N 436.354 4.591 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@@H](C)C1)C1CC1 1690537314 MLJUTXNELMBWIQ-DENIHFKCSA-N 437.632 4.922 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCOc1ncccc1F)C1CC1 1690540085 ZBMKFJFIVZBDSH-UHFFFAOYSA-N 431.874 4.506 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(C(C)C)C1 1690568978 ACSVRDANOPDHKY-FQEVSTJZSA-N 436.579 4.725 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1690594722 DTEIUGNBYHROPV-JWQCQUIFSA-N 449.643 4.653 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(Cl)=C(Cl)C2)cc1 1690681555 TVTBWEXUATXEOW-LJQANCHMSA-N 435.355 4.642 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCO[C@H]2C(=C)C)C1 1690689628 IMBIEODVXKVERN-BLIXFSHQSA-N 446.954 4.500 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1690738336 JYATXPRLRFPWRR-UXHICEINSA-N 442.629 4.516 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)cs1 1695394771 HEBJJDIXTLIQHY-NRFANRHFSA-N 434.613 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC1CCN(CCC(C)C)CC1 1705479068 DXSBROFHNDAICH-LJQANCHMSA-N 428.024 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705484638 SLRJWJWNEOSDFE-YDGQEPMXSA-N 433.383 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCc1csc(C(C)C)n1 1705503494 XKNVUASECOHCHP-IBGZPJMESA-N 437.613 4.754 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 1705680755 GXPNNIHMVOGYRI-GFCCVEGCSA-N 447.711 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCOC[C@@H]1OC 1705712158 LHOFGRKOKVIORD-BEFAXECRSA-N 439.387 4.706 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705724112 LTVKMEYCEKAIKJ-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705807649 KBBNOMPPCAXYPO-UPVQGACJSA-N 436.648 4.711 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)c1cccc(C)c1 1705826495 DDORQCXLTWXCIO-UHFFFAOYSA-N 430.350 4.705 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCSCC(F)(F)F 1705837419 ANKVPYDHBLKYRC-UHFFFAOYSA-N 449.340 4.934 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cccc(C)n1)C1CC1 1705851702 OSPYSRATJKYDBP-UHFFFAOYSA-N 441.377 4.527 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1705880204 YIIFBSIMUAGTNM-FQEVSTJZSA-N 436.604 4.777 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C)(C)CC1 1705940713 NGISYMBTYJPFES-UHFFFAOYSA-N 446.617 4.517 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)S[C@H](C)C1 1705948224 LRAZPTREIUGAJE-QZTJIDSGSA-N 427.643 4.531 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C1 1709261142 HICUJNBTHGHSCK-MRXNPFEDSA-N 440.473 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCCN1CCCC[C@H]1C 1722277210 KSZOFCYJQMXHAW-PWRODBHTSA-N 441.595 4.670 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722309730 CZOJKJNIPXOHLI-OAQYLSRUSA-N 446.599 4.923 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCCC1(C)C 1722376831 DZCGLMBQDNVWFY-OAQYLSRUSA-N 434.584 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1722501542 GBJCUPICULPPFC-ZQAYVECASA-N 428.552 4.602 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1722520093 SPSYREYLEVDBGX-ACIOBRDBSA-N 437.632 4.917 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)[C@H](C)C1CCC1 1722523375 QDWWSROJXDJEHF-GOSISDBHSA-N 431.625 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1722565463 RXSDEVVOKPGJBL-UHFFFAOYSA-N 447.583 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722585072 PZYYQNFIUBJUNK-KBPBESRZSA-N 438.439 4.968 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1722594120 GENIFGUNADWPOW-REWPJTCUSA-N 437.632 4.846 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)c1ccccc1 1722596492 JXDSPSGGAKZPEY-DEOSSOPVSA-N 449.643 4.675 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722607200 PADYSDDPDQDJOK-VQIMIIECSA-N 436.343 4.840 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@@H]1CCCN1C1CCCCC1 1722653657 BSPHRBWKCBDRLT-QHCPKHFHSA-N 437.632 4.839 30 10 IJEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 1723518106 BSGANBFQAUMFDD-QFIPXVFZSA-N 434.613 4.950 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](CC)N1CCCC1 1740537693 GMWHNQARFJBEAN-WIYYLYMNSA-N 448.640 4.709 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)Nc1ccccc1 1740539072 MWMBGWTYPWCTSG-ZWKOTPCHSA-N 447.608 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1c(C)noc1C 1740664796 CYQLEWSPVNCJQC-UHFFFAOYSA-N 435.528 4.925 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC2=CCCCC2)CC1 1740690850 OSWKHBCGFYREIQ-QHCPKHFHSA-N 447.627 4.681 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1740718395 NUEAYRFFGGXZNE-YADHBBJMSA-N 440.613 4.626 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740780035 DBVLOZPFNIGDSN-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(O)CCC)CC1 1740837471 WHGCFSFVABRPQD-VWLOTQADSA-N 442.604 4.694 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1740846956 RVSKRXSYNITISH-UHFFFAOYSA-N 429.572 4.537 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1740848931 UPUJXGYGLFSIRR-RBUKOAKNSA-N 444.624 4.733 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1740861867 CHLIJTCTFYATKV-UHFFFAOYSA-N 440.567 4.832 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)C1 1740862509 VUKFGRVWEIHPBZ-LJQANCHMSA-N 434.588 4.829 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1C1CC1 1740891838 KORHSENCYUEAHY-PXNSSMCTSA-N 429.996 4.711 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C)C1)C(C)C 1740926105 FZENLYQHUZZCLX-URXFXBBRSA-N 432.616 4.752 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1740995658 TXKUJFCDSMPDTG-PXNSSMCTSA-N 427.618 4.691 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(F)cccc1Cl 1741135935 GGRXPTRJXIZZAB-SPYBWZPUSA-N 433.959 4.633 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCC(F)(F)C1 1748906587 AFJPCOGDXTTWBM-ZWKOTPCHSA-N 432.515 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)cc1 1749119531 UAHBNVUCOCULPU-HKUYNNGSSA-N 433.394 4.782 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)CN2CCCCC2)CC1 1749294060 LZJRUJPZNKFXDF-IBGZPJMESA-N 444.023 4.886 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C(C)C)N1CCCC1 1749473936 SWCBWULDOUUQMD-FQEVSTJZSA-N 446.437 4.759 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CSCCS1 1749501712 HJMWBEIWOPHQJG-MRXNPFEDSA-N 427.064 4.695 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCc1csc(C)n1 1749539330 YZBWETWLWGGQCF-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1749621998 KPUYJHQQRWWRBP-UHFFFAOYSA-N 428.943 4.654 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(Cl)s2)C1 1749717100 GTHRFJRTWMHWIX-SFHVURJKSA-N 428.989 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC(C)(C)C1 1760098246 QGYXPOCSZUPWRX-IRLDBZIGSA-N 437.632 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)[C@@H](C)CC 1760099879 NGSNKNHTYJKRCS-DGUDUIIESA-N 433.600 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(COC)CCCCC1 1760101434 PQRHOMXTIXWIHZ-HXUWFJFHSA-N 431.584 4.857 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CCC)CCC1 1760111526 OFNCRYBJEVLDIV-LJQANCHMSA-N 446.599 4.664 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1760129224 GJARVTSKIVGMNM-ACIOBRDBSA-N 433.600 4.966 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@H](OC)C(F)(F)F 1760228895 WFKJDEJXKXEFQX-RDTXWAMCSA-N 440.535 4.558 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC1(OC)CCC(C)CC1 1760243432 KFOWIHVCEXUPOP-WRVMZKTCSA-N 440.563 4.504 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(C)C)C1 1760320435 XGMBZHVDEUQGKU-SBHAEUEKSA-N 429.996 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1OC 1760331379 RZDASTMYFGISAS-HKUYNNGSSA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](OCc2ccccc2)C1 1760371264 UHKLWNYKUBPXRE-SFHVURJKSA-N 430.339 4.542 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccco1)Cc1ccco1 1760377528 FGEFUZURBPETCL-UHFFFAOYSA-N 429.933 4.779 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1760398731 KKETUKBGMLOIOX-FQEVSTJZSA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCCc2cccc(C)n2)CC1 1760405126 MMPOFDXGKFDBAK-UHFFFAOYSA-N 431.584 4.904 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCCN2CC)CC1 1760405601 YUJSCCLIRCKFHH-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@](C)(OC)CC1 1760426335 NVOOAQLUSYSTRZ-RUZDIDTESA-N 434.588 4.883 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(C)C)C1CC1 1760475296 BLLVDNPKTSIZCV-VGSWGCGISA-N 430.980 4.726 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1760688190 CLAZTULCXOBULN-TVFCKZIOSA-N 445.995 4.871 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1ccc(Br)cc1 1860726298 MFWXQJJYSKOIRG-KRXBUXKQSA-N 427.067 4.572 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1862097912 MJWSKFNHSLUCLC-JOCHJYFZSA-N 430.552 4.637 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccc(O)cc2)cc1 1862390489 FHDFVPQEGGMNNR-QHCPKHFHSA-N 437.536 4.740 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C(=O)O)cc1 1862478134 ZRIOKTRBCBBFEQ-AQKFKSFVSA-N 433.504 4.850 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(F)c1 1862501589 GHTSYBORWOBYLU-QFIPXVFZSA-N 442.506 4.583 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862623293 MCJWJLHXDXVKBT-LJQANCHMSA-N 448.346 4.862 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1Cl)c1cccc2ccccc12 1862659028 YFECOBMGYAYPSZ-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(F)c1 1862661812 DDZOJILQLNZYKF-JOCHJYFZSA-N 425.500 4.954 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862674472 YAGUGGGLEMDYPC-JOCHJYFZSA-N 437.417 4.925 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)c1 1862698135 AMTWIUSZCJURBJ-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862711965 GVHNOBBLBHYXRF-CVDCTZTESA-N 449.453 4.875 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3cc(C)ccc3C)C2=O)cc1 1863409094 XJJNWULLWPZRQY-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc(F)cc1 1864796827 BTWQOPZDKUNKOE-HXUWFJFHSA-N 442.579 4.776 30 10 IJEE CCc1sc(NC(=O)C2(C#N)CC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866213535 MKKYLIOUXXVOFW-UHFFFAOYSA-N 433.327 4.769 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 1870109054 HWEGKYHZICYTBV-GOSISDBHSA-N 431.540 4.851 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1F 1870147745 FRBAZWLFVDHWON-NRFANRHFSA-N 425.467 4.552 30 10 IJEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1cccc(C)c1 1870348456 ZBOWMTNNSZVEHR-UHFFFAOYSA-N 429.564 4.888 30 10 IJEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870810226 SCGLKSRQJDKOCH-UHFFFAOYSA-N 429.564 4.868 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCCCN(C)C)CO2 1871355212 XQWJXVCSEYKVNQ-MTJSOVHGSA-N 444.934 4.897 30 10 IJEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871401048 SFKRKJJUCIAXNG-GJUHEBOISA-N 431.282 4.784 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(Br)cc2C)[nH]1 1871569256 DWOHBECSNNCTQC-UHFFFAOYSA-N 445.409 4.889 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871776246 MNXCKCZJMLHPPB-PGRDOPGGSA-N 432.561 4.754 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCCC 1871848785 MFIRHGOZPCWNFD-JOCHJYFZSA-N 430.570 4.814 30 10 IJEE COc1cc(/C=N/Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)ccc1OC(C)C 1873526843 ZLNNIGRFLIHPBB-BHGWPJFGSA-N 447.322 4.781 30 10 IJEE CCOc1cccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SC)c1 1874214875 KUFDMKVQQKSRMW-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE CCOc1cc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCC)ccc1O 1874263392 VYNGBOZPBAQZRY-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2[C@H](C)c2ccccc2)c1 1874401135 IJXRNVFWZYDGEP-RUDKWAFVSA-N 436.581 4.912 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1c[nH]c2ccccc12 1874457462 PXIYGSDXKYJDIY-WYMPLXKRSA-N 425.558 4.591 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(C(=O)OC)cc1 1874477705 GLEOGXNCHSWTKK-ZVHZXABRSA-N 426.517 4.721 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2O)c1 1874480762 CNGUVMZRSQGWNJ-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)cc1OC 1874495352 HBMLCDFUSKUCNC-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2OC(C)C)c1 1874516209 LVFLEOVBQAMNHL-AFUMVMLFSA-N 449.580 4.864 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2C(C)C)cc1 1874517538 YSKCTFYVXRFJKJ-CVKSISIWSA-N 435.597 4.816 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OCCC)nnc2C2CC2)cc1 1874522868 PIOXDPLSGCTAHU-HZHRSRAPSA-N 430.574 4.652 30 10 IJEE O=C(Oc1ccc(/C=N/n2cnnc2SCc2ccc(F)cc2)cc1)c1ccccc1 1874536030 ITASGPGIMWPIKL-VULFUBBASA-N 432.480 4.811 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)c1 1874706318 AMKYHDXEEFJXMI-ZRDIBKRKSA-N 448.471 4.593 30 10 IJEE Cc1ccc(-n2nc(C)c(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2C)cc1C 1890723783 UQKNKPLKTCWTID-UHFFFAOYSA-N 428.536 4.661 30 10 IJEE COc1ccc(-c2ccc(C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)cc2)cc1 1891477927 AAKXPEFENYYKIL-UHFFFAOYSA-N 427.504 4.560 30 10 IJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 1901740681 CWDLUKHKVAPDNN-XYJCDUHRSA-N 435.487 4.904 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)[C@@H]1C(F)(F)F 1903074287 ACTXSHBMBJUQRF-KUHUBIRLSA-N 433.471 4.610 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(Cc3ccc(Br)cc3C#N)CC2)CC1 1966574360 HCTVNIFDAPJPSV-UHFFFAOYSA-N 434.378 4.590 30 10 IJEE C[C@H](NCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OCC#N)cc1 1978829949 JBNHVQKZVDHVJR-IBGZPJMESA-N 441.531 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CC2 1988946762 WQYIMULXTBHTOU-IBGZPJMESA-N 433.471 4.612 30 10 IJEE C#CC[C@H](C)C[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2020078038 JVKOEPWAERHAAU-POGFHVCPSA-N 427.633 4.574 30 10 IJEE O=[N+]([O-])c1c(Br)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1C(F)(F)F 2079163449 KMZRWZMZBRKTGB-UHFFFAOYSA-N 436.081 4.779 30 10 IJEE C[C@@H]1C[C@H](Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)C1 2105992202 RLSNVFXGRQTUQF-TZMCWYRMSA-N 426.330 4.907 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNc1ccc(C#N)c(Br)c1F 2106091871 UPUCSPDEEJIXRM-OCCSQVGLSA-N 426.330 4.765 30 10 IJEE CC(C)[C@@H]1[C@H](Nc2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2126372274 QSKLFBMCKBMEBX-NVXWUHKLSA-N 426.330 4.906 30 10 IJEE C[C@@H](CCC[C@H](C)C(=O)Nc1ccc(C#N)c(Br)c1)NC(=O)OC(C)(C)C 2181048214 RGXPXASOOUXMRU-KBPBESRZSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2240722208 KRBZNBSXCMVGAG-LEAZDLGRSA-N 434.374 4.730 30 10 IJEE Cc1cnc(N[C@H]2CCN(Cc3ccccc3)CC23CCC3)c(B2OC(C)(C)C(C)(C)O2)c1 2241055259 UIVKMJPBKNNQLN-QHCPKHFHSA-N 447.432 4.546 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C(F)(F)F 2245894911 YZYQJIAVGYHXAV-AUUYWEPGSA-N 433.471 4.610 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CC2)cc1Cl 2247782217 RUIOGXMNIOBGSO-UHFFFAOYSA-N 425.765 4.752 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1sccc1I 2278793912 QEBMSVGJDVABET-AWEZNQCLSA-N 446.151 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC1CC1)c1c(Br)cccc1C#N 2285220652 LZODMTIRUXJHSF-QGZVFWFLSA-N 434.378 4.937 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2296219539 PIDPRPWORZVJDB-IMFGXOCKSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)C#Cc3ccc(Br)cc3)ccc21 2296227803 SFGGUPGNGISMJW-UHFFFAOYSA-N 426.310 4.981 30 10 IJEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@H]2c2ccccc2F)sc1C 2296933536 SPYLXBKJSBOHEQ-GOSISDBHSA-N 426.444 4.664 30 10 IJEE O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)C1=C(O)c1ccc(Br)cc1 2297740851 LNGHUJPBBNLKOQ-INIZCTEOSA-N 441.306 4.532 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2298496749 NKEJKCKJJKBVBB-VPCSNGCSSA-N 447.498 4.761 30 10 IJEE Cc1ccc(S(=O)(=O)N=C2S[C@@H](c3ccccc3)C(=O)N2C2CCCCC2)cc1 2314396718 IEERNCKXKQHGNI-FQEVSTJZSA-N 428.579 4.689 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2320955947 KZADXOYDEYUARN-UHFFFAOYSA-N 439.560 4.890 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)c1OC 2322051988 YHIRLEOMAXLRLK-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2323118448 XSDXZQGPFOSEDW-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)o1 2323438301 PRNVKSULFMINOM-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC)cc4OC)c3C)C2=O)cc1 2323767861 DMVKPPSVAADSKU-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCCOc1c(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)cccc1OC 2323874130 KVLQBBAKFFTAEV-UHFFFAOYSA-N 425.510 4.840 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325628012 VINVIGOKOARXAP-OAHLLOKOSA-N 430.416 4.617 30 10 IJEE COc1cc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc(OC)c1OC 2325669670 HEEAZGURZVUJLT-UHFFFAOYSA-N 447.487 4.512 30 10 IJEE CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2326038563 QXVUJMIXOVPNKC-UHFFFAOYSA-N 437.352 4.906 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccc(Cl)c1 2326204378 QKIJVWRQKMIHHM-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2ccc(O)c(Br)c2)c1 2326398754 PHWJDZKAIAWAOJ-UHFFFAOYSA-N 431.359 4.846 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(OC)cc1OC 2328858251 ZWKQBTMRNKOUFO-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(CC)cc1 2329559630 UJVKHKGWAWHWLS-UHFFFAOYSA-N 441.988 4.661 30 10 IJEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331322765 NNXFNMCVNMSBFQ-UHFFFAOYSA-N 425.514 4.717 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccccn2)c(OC)c1 2331353931 NQJCAICQDVRKCJ-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1[N+](=O)[O-] 2331397489 IGFFTANCOLYYSI-UHFFFAOYSA-N 445.427 4.790 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccs2)cc1 2331494540 ZZFHAFZHKCDRAH-UHFFFAOYSA-N 425.583 4.783 30 10 IJEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1cc(Br)c(O)c(OC)c1 2331519336 NRKJEGPUWAENEQ-UHFFFAOYSA-N 437.363 4.573 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1ccccc1Cl 2331539361 UGVRBRNJUNXJGJ-UHFFFAOYSA-N 434.009 4.822 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2339535803 GFCSSHIIHFAWGW-HMWIZFQGSA-N 431.389 4.579 30 10 IJEE CC(C)(C)OC(=O)NC1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2339573946 AJJXWCNQILMJAV-NTCAYCPXSA-N 444.381 4.943 30 10 IJEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339586711 JQMKDKHMNLMBMV-ASLVEYIASA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C(=O)C#Cc3ccccc3Br)CCC[C@H]21 2358769168 IIJNHWWXXHRKJN-JENIJYKNSA-N 432.358 4.795 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2360197283 JSHWWRPJEDPRBX-RLLQIKCJSA-N 435.406 4.720 30 10 IJEE CC1(C)OB(c2ccc(CSc3cc(Br)ccc3N)c(F)c2)OC1(C)C 2369069024 BPQASSPDPLBNSF-UHFFFAOYSA-N 438.171 4.762 30 10 IJEE Cc1cc(CN(C)Cc2csc(Br)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369729170 LJYYLJKJAGHJCC-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1 14033280 IGWOVVVLUDWSJG-UHFFFAOYSA-N 442.581 4.727 30 10 IJEE COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OC(=O)c1ccccc1Cl 17086237 KMBFNYQTLAWBOF-AQTBWJFISA-N 433.847 4.912 30 10 IJEE CC(C)c1ccc(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2ccc3c(c2)CCCC3)cc1 22691845 CTVKEJLZXOJUTF-QHCPKHFHSA-O 437.629 4.684 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(C)cc2)Nc2ccc(C)cc2C)c1C 32973227 YEYSUQMGUHUMDT-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE C=CCC[C@H](O)CN(CCC)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 36207784 UDLQBUNRYPOYTR-KRWDZBQOSA-N 431.989 4.844 30 10 IJEE CCCOc1ccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)cc1 36629277 BZTOMPUGXCISPK-MDZDMXLPSA-N 448.548 4.529 30 10 IJEE C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O 37857922 MFTMMLJPJKJNHH-MNUWJXFPSA-N 441.911 4.903 30 10 IJEE O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2ccc(Br)s2)cc1 59465843 QDDKGAFAXMNVTF-RQZCQDPDSA-N 428.358 4.519 30 10 IJEE CCOc1ccc(/C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1OC 96873418 OKVWRUZEUAUSEA-DAXSKMNVSA-N 429.266 4.859 30 10 IJEE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N[C@@H](C#N)c1ccc(F)cc1F 111220322 TUPQUZQVBOUZOO-FQEVSTJZSA-N 448.395 4.710 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2O)c1 169932129 YPSDWQWFLBLIST-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCCN1CCC(=O)/C(=C/c2cc(OC)c(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)C1 169941641 RSSFTLZENFNLEG-UDWIEESQSA-N 438.524 4.867 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169983892 XUSMPVXGGUHXTP-SFHVURJKSA-N 442.399 4.717 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccnc2)cc1C 170001195 RAEGFXKCPFLMBI-HSZRJFAPSA-N 427.504 4.547 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 170068442 FXUCXCGWSWTSBX-XMMPIXPASA-N 434.580 4.902 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(N(C)C)cc1 170129052 IVCCDZIIMBXKQE-HSZRJFAPSA-N 436.552 4.756 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccs2)cc1 170157577 ZDULFEKPZAFQBV-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE CC(C)(C)Oc1ccc(CN2CC(=O)C(c3nc(-c4cccs4)cs3)=C2N)cc1 170180812 PMXXPXJRPATNKN-UHFFFAOYSA-N 425.579 4.761 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccnc1 170183081 DSUQXEOYJGEPEB-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170208202 MZXWRDDENANQQU-FQEVSTJZSA-N 434.835 4.853 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)c1 170271084 ZGEJKSFDLRNBOP-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1F)c1ccncc1 170380858 GQEJBYFOLCOOPJ-QHCPKHFHSA-N 443.478 4.604 30 10 IJEE CCOc1cc(/C=N/O)cc(Br)c1OCc1cccc(Br)c1 253570390 NNFXRGBWSUJNJS-DJKKODMXSA-N 429.108 4.997 30 10 IJEE CCOc1ccccc1/N=C1/SC[C@@H](C)N1C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 253630241 PISBXOSRQKEKKG-BWIRIZTLSA-N 428.598 4.758 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(OC)c(Br)c1OC 407441745 VMXYTERQMFDAAE-WMLDXEAASA-N 443.382 4.586 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCCCC[C@@H]2C(=O)O)cc1OC 426743882 BKOAOPNGFOKTMR-DOTOQJQBSA-N 426.351 4.536 30 10 IJEE Cc1nc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)sc1Cc1ccc(F)cc1F 487601802 FGJGBUFUARYRDA-OAQYLSRUSA-N 435.496 4.521 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 508737578 AJYDBMCPAUUQBN-INIZCTEOSA-N 427.549 4.585 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 508812595 LGTCTBCQAMQMSZ-VGSWGCGISA-N 429.499 4.785 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])s2)c1 526490673 XEXPBIDPOPSMCK-OAQYLSRUSA-N 447.472 4.984 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])s2)cc1 526604751 PHGRBEUYGALKGR-HXUWFJFHSA-N 433.445 4.594 30 10 IJEE COC(=O)c1ccc(CSc2nncn2/N=C\c2ccc(OC(C)C)c(Cl)c2)cc1 526826976 GCPJZYABMZUJOL-MYKKPKGFSA-N 444.944 4.680 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@H](c4ccc(F)cc4)C3)n2Cc2ccccc2)c1 549529370 PUOMCKTUJFYRCR-DEOSSOPVSA-N 439.494 4.582 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 555244182 CYSMPYNAEPNXMR-NRFANRHFSA-N 428.540 4.543 30 10 IJEE N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccccc1 571706412 HUPXQMGWIFXHIN-QGZVFWFLSA-N 438.940 4.953 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C)cc1)Cc1cccc(C#N)c1 586157040 BGASVWBNGQHXRN-UHFFFAOYSA-N 440.952 4.920 30 10 IJEE CCCCS(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(N2CCC(C)CC2)cc1 586192155 HBHQWBWFKGWCLW-UHFFFAOYSA-N 425.598 4.931 30 10 IJEE C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 732919449 GUZWTUCBEVRIBB-INIZCTEOSA-N 442.544 4.998 30 10 IJEE CC(C)C[C@@](C)(C#N)NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 751366762 SHMZFQOQRCKIFT-DEOSSOPVSA-N 426.561 4.614 30 10 IJEE C=CC[C@@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)c1ccncc1 764407673 PKJCBCOAQQWTJK-MRXNPFEDSA-N 428.252 4.980 30 10 IJEE N#Cc1ccccc1/C=C/C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 771666935 NPXXDRBZMNIWNO-XXFRDUSWSA-N 448.469 4.935 30 10 IJEE C=CCN(C(=O)C[C@H]1CCC(F)(F)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 798211232 DTGAXQSSQPILND-CQSZACIVSA-N 440.537 4.558 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(C2CCCCC2)CC1 800775532 OQEAJGRCIJATIL-UHFFFAOYSA-N 437.588 4.687 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1 814620860 JOLPBBYHJOIOSW-ZEQRLZLVSA-N 449.551 4.810 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 829354495 RCHNBGZJNFRCPI-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1125637763 HFWFYUNUTCPNRK-QRQCRPRQSA-N 439.383 4.834 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1126229341 NIHRDYJMQAXCBP-KRWDZBQOSA-N 438.243 4.666 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1127570781 ZCWSZHCJCIENTH-PXDATVDWSA-N 426.532 4.671 30 10 IJEE C=C(C)[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1ccc(F)c(F)c1 1128248867 JKYOGWHGGQZFRD-IBGZPJMESA-N 432.268 4.960 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(OC)cc(Br)c2OC)C(F)(F)F)cc1 1128969341 ZYDNRKUVLWWXFW-QGZVFWFLSA-N 443.215 4.908 30 10 IJEE O=C(OCc1cccc(F)c1OC(F)F)c1nnn(-c2ccccc2F)c1C(F)(F)F 1131439562 HHMHGJIXLGAAOP-UHFFFAOYSA-N 449.282 4.523 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCc3cc(Br)c(Cl)cc32)c(OC)c1 1132133630 LVYWJXMTVIYLTG-UHFFFAOYSA-N 436.733 4.808 30 10 IJEE CCc1ccccc1-n1cc(O)c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 1136882202 FYYUWFCKMPNZBF-UHFFFAOYSA-N 428.517 4.670 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)c2nc3ccc(OC)cc3[nH]2)s1 1155009583 RDCUVAFDYLOWGT-LBPRGKRZSA-N 436.990 4.601 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 1185771776 SUDVXYVPOCYASL-UHFFFAOYSA-N 429.488 4.921 30 10 IJEE C#CCOc1ccc(CNCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)cc1 1205916555 BTELCSZNEBAAMM-UHFFFAOYSA-N 425.941 4.783 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 1214250877 VUTMMPLKODORIH-UHFFFAOYSA-N 443.569 4.517 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c(F)c1)c1ccc(Br)cc1 1215282257 IMUAKDSWYBYUAG-HNNXBMFYSA-N 426.083 4.847 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CCCC1(C)C 1221677050 YFNSUBFOAIAGTM-WMZHIEFXSA-N 430.612 4.805 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)NCCc2c(OC)ccc3ccccc23)ccc1OC 1227533562 CJCXBRTWEOYYIC-HXUWFJFHSA-N 447.535 4.580 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2ccc(Br)cc2C1)c1ccc(Br)cc1 1230498662 HKXOMWAGPIFFDF-GOSISDBHSA-N 448.158 4.654 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1264799715 QGHRYJAGKVIFKD-OAQYLSRUSA-N 426.479 4.710 30 10 IJEE C=CCC1(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)CCOCC1 1271204053 BCBUCWAOAFFSCY-GOSISDBHSA-N 426.582 4.898 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)N(C)C1CC1 1286437637 PNVWEVZXQFHGSV-HNNXBMFYSA-N 428.005 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccccc1C 1286516740 JPYSAQUGFUYAAC-MHECFPHRSA-N 435.959 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1286551925 JURZVRQPBMYCOE-RJSMDTJLSA-N 437.588 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC=C(C)C1 1286560704 HXFSSZUZACLHRT-XLIONFOSSA-N 443.389 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H](OCC)C(C)C)CC1 1286643595 OSJAHQLIDWKVES-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCC[C@@H](C)C2)CC1 1286656714 VAOPABIGAQRSRL-GOSISDBHSA-N 444.023 4.741 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccco1)N(CC)CC 1286722375 VQPAMVHSAORUKR-QFIPXVFZSA-N 432.572 4.735 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1OCCC1(C)C 1286765500 FBKIXHAXCBFYQJ-QFIPXVFZSA-N 438.547 4.651 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)c2ncc(C)s2)C1 1286801796 IDJALEFCNBPXMJ-KXBFYZLASA-N 444.004 4.948 30 10 IJEE Cc1ccc(-c2nc(CCn3c(CC(C)C)nnc3N3CCC[C@@](C)(C#N)C3)co2)cc1 1289520115 DOFVNRPLNONERN-VWLOTQADSA-N 432.572 4.813 30 10 IJEE C=CC[C@]1(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1293210509 LQYNIFWUIBCUFE-WMZHIEFXSA-N 434.964 4.586 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C)s2)cc1 1296798190 FOLAPRIIQYZVOZ-SJLPKXTDSA-N 439.585 4.973 30 10 IJEE COc1ccc(Br)c(-c2nnc(N3CCC(C#N)CC3)n2[C@@H]2C[C@H]2C(C)C)c1 1299970035 FHQNIIDAPYZUST-QFBILLFUSA-N 444.377 4.673 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC1CCOCC1 1300563790 MQDSIHSHRSPULQ-UHFFFAOYSA-N 432.612 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N 1300873287 INWPPWXNHIJNRJ-OOSNJVJTSA-N 443.979 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300924605 DWBKCCJQQVPONC-GXRSIYKFSA-N 431.669 4.720 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1300974949 QOJQMMMPDOORLT-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(CC)(CC)SC)CC1 1301129885 GCEAXHOFRYMFNZ-UHFFFAOYSA-N 447.674 4.594 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](OC)c1ccccc1)C1CC1 1301317672 YMTPCRLPAHBGSO-IBGZPJMESA-N 442.361 4.578 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1csc(-c2ccco2)n1 1301374662 DMTLVKBPKPWESF-UHFFFAOYSA-N 428.521 4.760 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)cc1 1301519007 OPMLCWVFPBYWCP-VQIMIIECSA-N 443.473 4.588 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1305575563 BWNKZIQEUSVBKV-GOSISDBHSA-N 440.592 4.556 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 1309955804 SWYLAJIQOFCJTL-FQEVSTJZSA-N 436.618 4.511 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1ccc(C)nc1)c1ccc2c(c1)OCCO2 1352839131 YWBDEDMCKPMDJA-RAXLEYEMSA-N 442.515 4.973 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CCCN1C(=O)OC(C)(C)C 1354000130 YARLNUIBUGYLCY-JOCHJYFZSA-N 429.517 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](OC)[C@@H](C)CC 1359069678 UGNZAWUKBMZPSL-KDSXSNECSA-N 433.556 4.653 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)CN2CCCC2)CC1 1359181908 LZUUTHRVONVLQL-OAQYLSRUSA-N 437.632 4.554 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCCCC2)CC1 1359182119 TVMLRQTXRNCPRD-UHFFFAOYSA-N 430.980 4.608 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(CCOC)CCCC1 1359234536 RULJKIJZTBLLSW-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](SC)C(C)(C)C 1359280266 KMWKXYUOEHIBCA-NRFANRHFSA-N 441.645 4.853 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC2(O)CCC2)C1 1360787871 FPMZADJMWZXDOK-OAQYLSRUSA-N 446.020 4.659 30 10 IJEE C#CCN(C(=O)c1ccc(C(C)(C)C)cn1)[C@H]1CCOc2ccc(Br)cc21 1435176887 YXEKQHWNHUYJIR-IBGZPJMESA-N 427.342 4.741 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc3c(Br)ccnc23)cc(OC)c1OC 1436270253 YMKKZGNGHOKVPI-UHFFFAOYSA-N 427.298 4.995 30 10 IJEE C=CCn1c(SCC(=O)NCC2(C3CCC3)CCC2)nnc1-c1ccc(Cl)cc1 1436611160 VAIRXMLHWQAWQI-UHFFFAOYSA-N 431.005 4.963 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1OCc1ccc(Cl)cc1Cl 1437442539 OOJFVIJBNOIAAQ-UHFFFAOYSA-N 448.346 4.990 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1 1440894079 UZFQOUHVVGODMW-UHFFFAOYSA-N 436.512 4.544 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1452992384 BDTRCXGWUXXFHK-WOJBJXKFSA-N 430.470 4.763 30 10 IJEE C=CCn1c(SCc2cc(Br)cnc2OC)nnc1-c1ccccc1OC 1458776452 RHQHVFSIDJDZFP-UHFFFAOYSA-N 447.358 4.598 30 10 IJEE C#CC[C@@]1(C(=O)N(C)c2nc3cc(Cl)ccc3s2)CCCN1C(=O)OC(C)(C)C 1459810540 QZZRQLLCDGQCPK-NRFANRHFSA-N 433.961 4.706 30 10 IJEE N#Cc1cc(S(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)ccc1C(F)(F)F 1463311286 DLAKOUQWAMTEQA-UHFFFAOYSA-N 435.254 4.851 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c1 1466416088 BFPNKEFJUXQZPE-NRFANRHFSA-N 437.540 4.964 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCOC)Cc1ccc(C#N)cc1 1466816288 DCTOAVKYLIOJKM-UHFFFAOYSA-N 444.329 4.566 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CC[C@]4(CCCCN4C(=O)OC(C)(C)C)C3)cc2n1 1467352053 HWJQRHVHQHMXFX-XMMPIXPASA-N 439.560 4.620 30 10 IJEE C#CCCCNC(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1467786275 JNDHATQQUDTDGB-QHCPKHFHSA-N 436.939 4.566 30 10 IJEE CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CCc4c(sc(N)c4C#N)C3)cn2)cc1 1472224209 DYNJFBHKIAVAPQ-UHFFFAOYSA-N 432.549 4.885 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1 1476148593 LCFFQBXDOCFNOH-UHFFFAOYSA-N 439.302 4.944 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CCCc2ccccc21 1477478048 KVUDLLPJRWECLH-FTJBHMTQSA-N 431.580 4.555 30 10 IJEE C#CCN(C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1)C1CCN(C)CC1 1478025814 SUIRFZRBXYJCJY-UHFFFAOYSA-N 435.534 4.646 30 10 IJEE C=C1CCC(CNC(=O)N2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)CC1 1479256009 FIAVGNLLONCIFV-GOTSBHOMSA-N 427.589 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC[C@H]1OC 1507518992 OWJZSVXQZURIFY-SNYIIPAISA-N 431.584 4.626 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccco1 1507554989 BPPMZPRUIRVYPK-KRWDZBQOSA-N 428.334 4.774 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1507647504 CNKKAVLWFJBHHY-DWACAAAGSA-N 445.655 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](CC)OC 1507660180 OABLRZTVSJOYLX-CTNGQTDRSA-N 442.991 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507763491 WMVBUUFQTCXKID-PBDKAQRYSA-N 444.627 4.565 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(Cc2ccccc2)C[C@H]2CCCO2)nnc1C(C)(C)C 1507811910 UXAVKGJEZPHJMZ-ZLNRFVROSA-N 438.616 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1snnc1C 1507813870 CLXXHUYDTFUHJH-UHFFFAOYSA-N 428.631 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1507821480 DHQLAQWQWKQMIQ-UHFFFAOYSA-N 430.556 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1csc2ccccc12 1507821828 MNMWMRAVGXOLOA-AVRDEDQJSA-N 440.613 4.862 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@](C)(OC)C2CC2)CC1 1507877793 PKWKVXAYHDETGT-OAQYLSRUSA-N 449.368 4.818 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1507888085 CCTUXLBSYITPLE-OAQYLSRUSA-N 430.600 4.550 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(F)cc2)CC1 1507922532 CHUQKEZXWQCKKB-UHFFFAOYSA-N 439.604 4.998 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(Nc3cccnn3)CC2)nnc1C(C)(C)C)c1ccccc1 1507930660 YVXJCQVBHYSMPY-OAQYLSRUSA-N 445.615 4.806 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1507968332 RKWCSJDDKRHVIG-WOJBJXKFSA-N 445.633 4.570 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1508061223 LKXIYDXBVBAQIE-QUCCMNQESA-N 429.609 4.595 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cccnc1Oc1cccc(Br)c1 1521849172 AGWAPXKEFFYQKU-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE CN(C(=O)c1ccc(C(=O)OCc2cc(Br)cc(C#N)c2)cc1)c1ccccc1 1524682757 HUTSAKZUHIVGLN-UHFFFAOYSA-N 449.304 4.954 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(S(=O)(=O)C(F)F)c3)c2C#N)C1 1527276392 AWVQXXBLHHXXOA-GFCCVEGCSA-N 438.521 4.629 30 10 IJEE Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccn(-c4cccc(C#N)c4)n3)s2)cc1 1529712901 HANBVXHLUAYCJM-INIZCTEOSA-N 427.533 4.975 30 10 IJEE C=CC[C@H](OC(=O)CCn1nc(O)c2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 1530229376 MENOVLUPKJZGGL-SFHVURJKSA-N 433.291 4.660 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1537130837 JDYQDGXYCPPXFL-YCRPNKLZSA-N 440.462 4.555 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC1CCC(OC)CC1 1538985474 AGRCUSPYRJZPJT-LRYGQEGESA-N 430.980 4.660 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC(C)(C)C 1539251398 FHQVICYTLYIIBL-UHFFFAOYSA-N 443.389 4.615 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCOC1CCCCC1 1539315627 PZDOMJUYJJOJDE-UHFFFAOYSA-N 429.568 4.629 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC=CCC1 1539397007 WSRONIIDWCUEDN-MOPGFXCFSA-N 428.964 4.514 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)c1cccs1 1539401268 YOZSLPMEURJEPV-UHFFFAOYSA-N 428.989 4.724 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)s1 1539517695 QXDWVCVTIQWVDM-UHFFFAOYSA-N 441.464 4.694 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](c2ccco2)C1 1539607271 AZGNRDCLVHRGEY-QGZVFWFLSA-N 443.345 4.661 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1539940197 OOTMPQSQAMAOJI-AOHZBQACSA-N 444.627 4.927 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCCC1 1539945386 NSMZKFRJNVSUGC-UHFFFAOYSA-N 436.398 4.523 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1539955471 YTUNRHDLFRFXOX-IBGZPJMESA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCN(C(C)C)C1 1540058326 USMYWJIPWCAERS-NRFANRHFSA-N 449.599 4.860 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC1(OC)CCCCC1 1540137170 QACGFBANQYWGPZ-UHFFFAOYSA-N 449.574 4.945 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCCC1 1540141632 CJGUOBWVFQNOOT-LJQANCHMSA-N 436.629 4.635 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1nc2cc(Cl)ccc2s1 1540168899 XIBDGCZHZHOFDU-HNNXBMFYSA-N 429.977 4.662 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1CC 1540191649 OBHBFRAZUIEXQI-HSZRJFAPSA-N 439.648 4.756 30 10 IJEE CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1540472235 HZPPUIWBUYDXJM-AVRDEDQJSA-N 447.476 4.822 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](OC)[C@H](C)CC)C1 1540887116 QDYDDZJJWDSFSK-WRWLIDTKSA-N 436.959 4.580 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 1543578509 GDVOBHMEKUJTHX-UTKZUKDTSA-N 427.907 4.872 30 10 IJEE CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C 1545788083 IDCFEIDNJQZTRY-QHCPKHFHSA-N 446.640 4.690 30 10 IJEE CCCOc1ccc(Cn2c(CC3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1547275507 CSGQKQVEOGYXOC-UHFFFAOYSA-N 444.583 4.751 30 10 IJEE C=CCN(C(=O)CN[C@@H](COC)C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1559736427 KQJHPHOVPUKZCB-KRWDZBQOSA-N 442.412 4.897 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c3ccccc3)cc21 1563315564 MRENSWTVQHYFNI-VWLOTQADSA-N 434.540 4.643 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Br)c(F)c1)c1ccc(Br)cc1 1563951383 JIFUEZDFFZUXCY-INIZCTEOSA-N 440.110 4.524 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1 1565078151 YNPQPBZBMJGULG-DHIUTWEWSA-N 427.976 4.942 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCCC2 1566156517 XPMWJRZMOVERCB-RCCFBDPRSA-N 429.001 4.609 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc(OC)c1OC 1583798267 MDPAJKJPYOODFD-UHFFFAOYSA-N 434.536 4.778 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1 1584649264 AVWKJUJDQNUAIR-UHFFFAOYSA-N 429.259 4.945 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cc(F)c(F)cc2Br)cc1OC 1586908221 SXLNKIBQGBNWKQ-ALCCZGGFSA-N 438.268 4.630 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C1CC1 1587562233 MVDMLOJLYYNOQE-FHWLQOOXSA-N 444.023 4.629 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1C(F)(F)C12CCC2 1587575109 QBKXDVDSORKDGR-CZUORRHYSA-N 435.316 4.601 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@](C)(CC)O1 1588288728 JQCFXROBBCUIAU-KKSFZXQISA-N 449.368 4.654 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1ccnc(Oc2ccccc2F)c1 1588420601 HUSJPWQWQMCQOS-UHFFFAOYSA-N 447.539 4.765 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(C)CCCC1 1588604827 RCKPEAIIUTZXLN-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1589078684 WIWFLIOKJGZLJI-MRXNPFEDSA-N 446.045 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC)CCC 1589496742 ZIKYWWLTMOEUQF-OFNKIYASSA-N 434.588 4.943 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(SC)CCOCC2)CC1 1594013561 HTXKZLWMPNMESX-SFHVURJKSA-N 446.592 4.626 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCCCN2CCCC2)CC1 1594128227 OKDIPFPZLLTCSW-UHFFFAOYSA-N 437.632 4.896 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1594182275 WOFGFEHSUDRWCT-UHFFFAOYSA-N 436.526 4.894 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1Cc2ccc(Br)cc2C1 1594793005 DIWBELSDKPZQAW-UHFFFAOYSA-N 443.345 4.722 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@]1(C)CCCS1 1595083725 DYRACJGARMOXRQ-VWLOTQADSA-N 449.624 4.751 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1595250885 LEUYAUBUAHEKPM-MSOLQXFVSA-N 448.493 4.800 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1595267611 YTIGQMPDCIOCHO-JENIJYKNSA-N 445.405 4.783 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CC1 1595276328 ZIEVZWVTGCGTIC-MRXNPFEDSA-N 432.659 4.666 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)C(=O)OCC 1598350473 PCYBDUZNJLLNKU-LJQANCHMSA-N 437.471 4.534 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC[C@H]2c2ccsc2)cc1 1615172024 CHBKKJIXUPTKIL-QFIPXVFZSA-N 434.565 4.812 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 1626836878 RYTVSNKTIZDKCW-OALUTQOASA-N 444.963 4.783 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(SC)cc2)cs1 1627218903 MTJGIECBVZMUHC-MRXNPFEDSA-N 431.583 4.777 30 10 IJEE C=CC[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)c1ccccc1 1627454511 HUJUYLXKRHZWQH-YADHBBJMSA-N 438.369 4.518 30 10 IJEE C/C(=C\C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1C(F)(F)F 1628142365 SXQWITOTWSOJOI-GHRIWEEISA-N 427.470 4.761 30 10 IJEE C=CCC[C@H](C(=O)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1)c1ccccc1 1630656667 SBGNDOMKRQLISE-NRFANRHFSA-N 445.485 4.718 30 10 IJEE C#CCN(CC(=O)Nc1cc(Cl)ccc1NCc1ccccc1)C(=O)OC(C)(C)C 1631454687 HXIBZMCVDFFSEK-UHFFFAOYSA-N 427.932 4.761 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1636894211 ZWHAMHVWKGEGTR-CYBMUJFWSA-N 425.337 4.585 30 10 IJEE C#CCC1(O)CCN(C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1 1643516295 FHYQOOWQYZEDPR-UHFFFAOYSA-N 434.967 4.652 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)c2nc3ccccc3n2C)cc1OC 1650316967 XXOPTUCPFYZLBL-AWEZNQCLSA-N 430.346 4.760 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2c3ccccc3CC[C@@H]2Cc2ccccc2)c1 1653516723 BRORAPLLWGDZLH-XMMPIXPASA-N 443.568 4.688 30 10 IJEE CC[C@H](CC#N)NCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(OC)cc1 1653822494 ADQHLLGQRDLENG-ZEQKJWHPSA-N 440.547 4.808 30 10 IJEE C=CCn1c(S[C@@H](CC(C)(C)C)C(=O)OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1655970260 RKUDVERWERAUMR-CJNGLKHVSA-N 434.627 4.839 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 1657142484 AVNXZLYRROVROL-KRWDZBQOSA-N 439.320 4.603 30 10 IJEE COc1ccc(CCN(Cc2ccccc2)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1657180744 FWRVRRAQNNLHGB-MHZLTWQESA-N 439.559 4.807 30 10 IJEE Fc1cc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)ccc1OCC(F)(F)F 1659426984 GCFDDNNCLFUPAI-MRXNPFEDSA-N 429.376 4.948 30 10 IJEE C#CCN(Cc1nnc(-c2cccc3ccccc23)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1660152021 MGVWXQADESFKIA-UHFFFAOYSA-N 446.551 4.725 30 10 IJEE COc1ccc2c(c1)[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(C)c1)CCO2 1660522589 FDKGVWDFMXSNLI-XMMPIXPASA-N 448.544 4.590 30 10 IJEE C#CC1(O)CCN(Cc2ccc(Br)cc2Oc2ccc(F)c(Cl)c2)CC1 1665324961 IBOAIYZZSMAAKR-UHFFFAOYSA-N 438.724 4.994 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)OC)c1 1666768578 NZTHDBWOVQSLOD-QFIPXVFZSA-N 432.520 4.948 30 10 IJEE C[C@H](Cc1cccc(Br)c1)NC(=O)Nc1ccc(C#N)c(Br)c1 1671214238 BXICDAPVAVHCPR-LLVKDONJSA-N 437.135 4.836 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(Br)cc1 1671586954 JESMVJXTGABVRL-JKSUJKDBSA-N 429.211 4.865 30 10 IJEE Cc1cc(NC(=O)N2CC[C@H](c3cccc(Br)c3)C2)c(C#N)cc1N(C)C 1678199240 DJIQMQKLWKGNKZ-INIZCTEOSA-N 427.346 4.717 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 1683854367 DDFSBLYRMWAURS-NFBKMPQASA-N 426.532 4.868 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)N1CCCCC1 1689836062 XSOCJYSRNIWOJU-OALUTQOASA-N 439.673 4.854 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N(Cc1cccs1)Cc1ccccc1OC 1689923280 PXIACTGJPQBAOX-UHFFFAOYSA-N 445.592 4.974 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@H]1CCCCO1 1690062098 CKVTVWYPYNQPGX-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690296743 KODIZAXBJJFFDK-SFHVURJKSA-N 433.021 4.931 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1690368525 BGKZELISRJMOPL-HXUWFJFHSA-N 440.954 4.592 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCNc2ncc(Cl)cc2Cl)CC1 1690369140 ZCCOJFACYXONLM-UHFFFAOYSA-N 433.343 4.817 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCOCC(F)F)CC1 1690399031 LPMBBEOBXPKKPM-OAHLLOKOSA-N 440.922 4.756 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1 1690419965 GZGSQEWPPZOCIC-QGZVFWFLSA-N 426.540 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690422342 LYSNIBRMHJSJQB-OAQYLSRUSA-N 432.616 4.912 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1C(C)(C)C)c1ccccc1 1690446774 FQLJMXJLYOQBLD-VXKWHMMOSA-N 435.616 4.527 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1690469457 PTKAZONMQMCZKL-YPAWHYETSA-N 429.653 4.618 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1690475280 LRFZGQARFWBWSU-HXUWFJFHSA-N 437.500 4.900 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690476930 UMKZVRISAVSYQJ-RTWAWAEBSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1Cc1cscc1C 1690558305 LHTNACUFWMLAQR-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1690632896 WNRKKETUUBRAOS-JKSUJKDBSA-N 431.378 4.919 30 10 IJEE C=CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cc(OC)ccc1Br 1690653256 JHIRDWNWEVNYHL-UHFFFAOYSA-N 443.349 4.642 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2csc(C)c2)C1 1690687770 JAIZEVVMRVUSOY-LJQANCHMSA-N 446.523 4.746 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCCOC2)C1 1705510035 MZZSUNMCMSCUSD-BKMJKUGQSA-N 436.600 4.845 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705622912 ZGPHSWBEGAJUMV-TZIWHRDSSA-N 445.007 4.526 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(Cl)s1 1705664723 YZOVCLYOMBVVAS-UHFFFAOYSA-N 447.029 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCOc1cc(C)cc(C)c1 1705718826 ZQHGJWFAVZOXKT-UHFFFAOYSA-N 444.583 4.615 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1705748867 CPICOBPGIWCUFI-SFHVURJKSA-N 429.355 4.827 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(N(C)C)CCCCC2)CC1 1705784588 AXTDHJIPRWNSLP-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)c2ncc(C)s2)CC1 1705784632 COLZIWNGALLEOB-INIZCTEOSA-N 441.576 4.967 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1705791831 FTXPZOPWFSOSHS-MOPGFXCFSA-N 430.618 4.631 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705814282 JYJOFZDMVXTORC-LJQANCHMSA-N 441.645 4.737 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@H]1C 1705881992 IFQPBYHFCWHZTO-HUUCEWRRSA-N 439.423 4.844 30 10 IJEE C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1705887668 UFBVYHSRSGQSAG-UHFFFAOYSA-N 429.565 4.506 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Oc2ccc(Cl)cc2)C1 1705926156 YVYWNPIXMPEOHO-YLJYHZDGSA-N 432.996 4.769 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705947638 SRVLQBKKOGGPJM-IBGZPJMESA-N 432.609 4.711 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1706354308 AEKUBKQUOZYTTI-GMAHTHKFSA-N 433.556 4.886 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C#N)cc2)(N(C)C)C1 1708026653 BDGBCBWQRYCFMH-IBVKSMDESA-N 436.648 4.885 30 10 IJEE CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCC1(F)F 1710105735 CWPFRHBBLIXTIM-IBGZPJMESA-N 429.515 4.791 30 10 IJEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CCC(C)(F)F)ccc1OC(C)C 1711646752 DVVFEJVPFVSZOI-UHFFFAOYSA-N 433.503 4.526 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1722326588 RXQSMCYXOPSEAX-INIZCTEOSA-N 442.336 4.582 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)[C@@H](C)CC 1722348082 QVJBLCYGAZBJES-KRWDZBQOSA-N 425.577 4.612 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCCC 1722531852 ZETBPRUHJGQTKA-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCC[C@@H]1C)C1CC1 1722651986 YAVIGQAATOSDIV-FNZWTVRRSA-N 438.616 4.995 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@H]1OC 1722678648 ULULVSDOAMCAPG-HNAYVOBHSA-N 439.387 4.706 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722683797 VTNFLUIYDSMZFF-XHDPSFHLSA-N 448.217 4.975 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(C)C)C1 1728227166 GUORCQIJNKMONW-QFIPXVFZSA-N 444.583 4.921 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)CCCC1 1740735471 QMGARDICOSKLSP-UQBPGWFLSA-N 441.620 4.923 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCCC)CC1 1740813733 HAKXDXNGTACSOZ-LJQANCHMSA-N 427.980 4.888 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Oc2ccccc2OC)CC1 1740821012 ZYPRVIDBXUVGKD-KRWDZBQOSA-N 439.947 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740845215 IVEGNZIQSJZCGF-HXUWFJFHSA-N 437.632 4.803 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740893334 GNZYQBVKUHRSSI-APWZRJJASA-N 445.995 4.866 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](F)COC 1740922756 RQERBPTYKAPSGY-HNNXBMFYSA-N 438.931 4.976 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1740945280 UXXRRZOXNLSFNP-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCCS1 1741960455 CSDCSKYAWZAONS-XTQVGHSUSA-N 443.592 4.973 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CC[C@H](C)C2)cc1C 1742247006 HLLQURHWPCRYDI-UWJYYQICSA-N 434.588 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCSCC(C)C 1748649660 RGTDDBBFUWVENT-AWEZNQCLSA-N 439.398 4.694 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCS1 1748686326 NDFBWIIQZHJOAT-RXVVDRJESA-N 426.630 4.898 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnc(C(C)C)nc1 1748735302 FWASRTYEMJTNPA-GOSISDBHSA-N 436.535 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCCN1c1cnn(C)c1 1749143923 ONPUVSPZNKQIPP-VWNXMTODSA-N 447.631 4.625 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1749431299 ZZNRICWPNCFCIS-RBUKOAKNSA-N 433.641 4.963 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C 1749529856 NDEOWIJCTFGTFA-YADHBBJMSA-N 442.604 4.782 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1749617800 PGDWVRXFCYTGTH-LJQANCHMSA-N 444.023 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C(C)(C)O)cc1 1760103621 JDMOMVSUMPTRJN-ROUUACIJSA-N 448.636 4.865 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](COCC)C1 1760145654 SKWPXHUZMPIIBQ-PMACEKPBSA-N 445.007 4.965 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CN(C)C(C)C)CC1 1760150211 VUDLNNWHEPOZDT-UHFFFAOYSA-N 431.987 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)COC 1760298722 SRZYSDNUMCBEBV-AREMUKBSSA-N 438.616 4.819 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@H]1C 1760304064 HWYOFMOXOUKCDL-WCQYABFASA-N 440.183 4.851 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ncc(Cl)n1C 1760342501 FBUMUTUSSTYHKO-UHFFFAOYSA-N 431.009 4.875 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC1COC(C)(C)OC1 1760342905 PRCROXWXLNMVEI-INIZCTEOSA-N 430.618 4.543 30 10 IJEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](SC)C(C)(C)C)CC1 1760389913 WRDUFOFJBUMURE-PMACEKPBSA-N 428.602 4.725 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1csc(C)n1)C1CC1 1760475548 LQKZZGYXYZHENC-UHFFFAOYSA-N 429.977 4.673 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1762722079 DUXKJJZNQOGJIY-LMMKCTJWSA-N 429.515 4.646 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)SC1=Nc1nccs1 1772718410 AEJBHWJPBUOEPG-LJQANCHMSA-N 448.573 4.956 30 10 IJEE COc1ccc(/C=C2/SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)cc1OC 1772737772 MROQAUNJSZBGBW-NLUKZUHQSA-N 438.534 4.672 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 1772790396 NRYFPFTUSRZHEH-LJQANCHMSA-N 442.254 4.868 30 10 IJEE CCN(C(=O)CSc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)c1cccc(C)c1 1860463863 XLSUEAGEWHSBBT-UHFFFAOYSA-N 438.940 4.828 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1ccccc1Cl 1861563854 QIKXKIYVWFIINM-XYLLXSKMSA-N 435.008 4.572 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1862138943 ANSLQDAGVNLPAO-QZEGLACASA-N 438.955 4.638 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862417397 QWQCMFNSGLRRNA-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478815 REEUPIHGIDVZNP-QHCPKHFHSA-N 441.483 4.514 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2c(Cl)cccc2Cl)c1 1862498600 LVZFTGULLYNSAI-ORAYPTAESA-N 434.319 4.569 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 1862506853 BLDHJDHXIBAJOE-DEOSSOPVSA-N 445.490 4.969 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862681508 BMHVOPRUAQKSEY-NRFANRHFSA-N 427.472 4.554 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(OC)c1 1862727546 HGORPEGRJKZVKO-HSZRJFAPSA-N 429.472 4.666 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(C[C@@H]2CCCO2)C1=O 1863760994 YZKTUOPLJMUMRL-FQEVSTJZSA-N 442.600 4.684 30 10 IJEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCC(N(C)C)CC1 1870541000 YKUXQQACXPNJNK-UHFFFAOYSA-N 449.680 4.539 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870694617 KRZNLCULGZFTLY-OYRHEFFESA-N 434.621 4.629 30 10 IJEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc(Cl)cc2)cc1=O 1871007568 IPKYDEDROJFYLO-QFIPXVFZSA-N 443.330 4.513 30 10 IJEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1OC 1871383062 BGPIHTXACHNLNF-NRSKTENOSA-N 432.428 4.922 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c(OC)c1 1871418299 YNKALLNRGOJEAG-CFRMEGHHSA-N 436.435 4.917 30 10 IJEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871430505 DKDQTWPFVRYSPK-UCQKPKSFSA-N 444.443 4.927 30 10 IJEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)CCCCCNC(=O)c2ccccc2)n1 1872766875 LISUHVNXOFLSJS-FQEVSTJZSA-N 447.560 4.985 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(NC(C)=O)cc2)cc2c(NCCCCCC)ncnc21 1873638614 BWSKQGGYEINUEG-UHFFFAOYSA-N 434.544 4.820 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccccc1C(=O)O 1874259307 SYBODLOIAVBMEV-BUVRLJJBSA-N 438.553 4.892 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(F)cc1 1874360390 DSIWOYJXPDQDIU-AFUMVMLFSA-N 440.544 4.552 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCCO)cc1 1874391483 ITMQLYRLXYNTCY-XIEYBQDHSA-N 438.597 4.713 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(O)c2)o1 1874428246 YVJYWLQBPGPAII-ZVHZXABRSA-N 448.504 4.595 30 10 IJEE COCc1nnc(SCc2cccc(F)c2)n1/N=C/c1c(OC)ccc2ccccc12 1874498142 SVLWBVGFXUFREN-DHRITJCHSA-N 436.512 4.900 30 10 IJEE Fc1ccc(COc2ccc(/C=N/n3c(S)nnc3Cc3ccc(F)cc3)cc2)cc1 1874561715 FMVPNRBLIHOKON-VULFUBBASA-N 436.487 4.897 30 10 IJEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCCO3)c1C 1874581773 FVAIRPYNHKHQQJ-ZRDIBKRKSA-N 443.499 4.988 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCCO)c1 1874587672 YOUNDVBKKQKMKS-VQHVLOKHSA-N 434.916 4.803 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)cc1OC 1874588945 MOHJTNCNYWMVOG-AATRIKPKSA-N 439.291 4.767 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccccc1 1874596761 BSZHQRRHFRSTOD-ZRDIBKRKSA-N 431.488 4.926 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccccn1 1875084885 FPIDZJLSQGICPO-CMDGGOBGSA-N 438.823 4.767 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1cnccn1 1875100494 DLGRLZBXXNOHME-BQYQJAHWSA-N 438.867 4.653 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1F 1875153632 QGLHFDHVFFEPFH-DHZHZOJOSA-N 436.435 4.967 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875163312 FDWPLCLSMAOJPJ-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE C#CCC1(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)CCCCC1 1902261033 OOEWHNIBPYHPCJ-UHFFFAOYSA-N 442.559 4.900 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]21 1912178225 KRGGPNONMSSLIX-MRUHUIDDSA-N 434.541 4.606 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@](NC(=O)OC(C)(C)C)(C(C)C)C(F)(F)F 1939658039 SNBYQGBYAMNACN-NQIIRXRSSA-N 430.511 4.829 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1997638135 MEWDYQUSFKMXAN-JIPZTSHUSA-N 436.557 4.709 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 2020331779 HVMHCGGUIAOXSP-VQTJNVASSA-N 439.641 4.719 30 10 IJEE C=C(CNC(=O)c1cc(CC)ccc1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2077056587 HVRDGYUYQJYNHS-UHFFFAOYSA-N 430.354 4.513 30 10 IJEE Cc1sc(Br)c(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c1C 2101081563 SHWJBAHVENYASP-UHFFFAOYSA-N 426.185 4.531 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 2102880987 VWGNSRBVSHRCDN-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(C)CCN(c2ccc(C#N)c(Br)c2F)CC1 2118197269 SMDVEKZAOLAOJE-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(OC)c1Br 2142369458 NMSUGYLHOHPBDS-QAPCUYQASA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@H](O)C#Cc1ccccc1Br)Cc1ccccc1 2209724773 RDUNDEPXQVCCND-HXUWFJFHSA-N 444.369 4.989 30 10 IJEE CCCN[C@@H](C#Cc1ccc(C)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223323556 BJZHUBSNIKREIW-LOSJGSFVSA-N 436.596 4.825 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235732808 SPDVJJPKZQFKNM-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1ccc([N+](=O)[O-])c(Br)c1)C2 2237713194 GDFYQFZZMPOBQY-KBPBESRZSA-N 436.306 4.681 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)cc1 2254793104 OKQILCBSWWGRJC-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)CC(C)C)c1 2255835185 LZBVXTWAGGFSQR-UHFFFAOYSA-N 425.353 4.732 30 10 IJEE C=CCN(CC[C@H](N)c1c(F)c(F)c(Br)c(F)c1F)C(=O)OC(C)(C)C 2267832155 CXZFAMAASOMAMY-VIFPVBQESA-N 441.263 4.819 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(Br)cc2C#N)C(F)(F)CC1 2284577096 ANTWUOWBZKPPEC-AWEZNQCLSA-N 445.308 4.553 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2296215787 DNASFYFLVJENAX-CVEARBPZSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296277312 QRJJGSLPURBNQJ-UXHICEINSA-N 428.326 4.528 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@H](O)C#Cc1ccc(Br)cc1 2296277767 WEZLFLJBINSXSJ-VQTJNVASSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@@H](O)C#Cc1ccc(Br)cc1 2296278074 ZXYQSAISNLFSDX-QUCCMNQESA-N 436.390 4.883 30 10 IJEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1cccc(I)c1 2297554070 QHKCYKRVSRLDQT-UHFFFAOYSA-N 440.693 4.836 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2305318889 HXDGERGABWNEQT-BPYKYCOYSA-N 428.573 4.555 30 10 IJEE O=C(C=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 2314523472 WDTFANBEFOVMPJ-UHFFFAOYSA-N 428.404 4.726 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(Cl)cc1 2321061637 MQJDTRXGJJLKID-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OC(=O)C(C)C)c2C)C1=O 2322638474 GLVVZVHXCLKYRE-UHFFFAOYSA-N 431.282 4.944 30 10 IJEE COc1ccc(-c2cc(O)nc(NN=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 2323260614 CPYBCZCEITUZMQ-UHFFFAOYSA-N 440.459 4.523 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)N(CC)CC)c(OC)c2)cc1 2323829556 GAANUGMBJCXQST-UHFFFAOYSA-N 445.943 4.891 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OCCO 2324537439 UQOOGEQIWNORFB-UHFFFAOYSA-N 425.308 4.976 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)C(C)(C)C)cc(C)c3C2=O)c(OC)c1OC 2324919103 BEJBQAWEPIJHPL-UHFFFAOYSA-N 440.492 4.631 30 10 IJEE O=C(C=Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2325702043 HHUNNSNOVQAFRU-UHFFFAOYSA-N 449.890 4.911 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COCCOC)c2)cc1 2325710493 KIZIEHQJOBJTDU-UHFFFAOYSA-N 426.509 4.502 30 10 IJEE CCc1ccc(OCCCc2nnc(SCCCO)n2N=Cc2sccc2C)cc1 2326341979 OFICLXREYAUIAJ-UHFFFAOYSA-N 444.626 4.579 30 10 IJEE CCCOc1ccccc1C=CC(=O)[C@@H]1C[C@H](NC(=O)Nc2cccc(Cl)c2)CCN1 2328082187 QNSLHIMYKNIPFC-RTWAWAEBSA-N 441.959 4.653 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc(OC)c1OC 2328754493 KDENUNNSHAQCQX-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(Br)c1 2329761523 ZPXNAPCPLAOWDX-UHFFFAOYSA-N 431.334 4.931 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)c(C)c1 2331231399 SSILTIFQJPNWRQ-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE CCOc1cccc(C=Nn2c(CCOC)nnc2SCc2ccccc2Cl)c1 2331286894 WSWRMPQUGKGOBL-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1ccc(F)cc1F 2331344892 XBIKDUQGQQBRSY-UHFFFAOYSA-N 437.560 4.522 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCCCO)cc1OCC 2331470010 XETIKMAJSLHYCA-UHFFFAOYSA-N 448.633 4.801 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1sccc1C 2331645766 RRTNBTBSQAGRGB-UHFFFAOYSA-N 427.599 4.776 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339537449 PXVLBTZADDYZCG-QBNMFFNISA-N 447.360 4.534 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(OC)ncc(Br)c1C 2370385902 IBYBMNONXFKVQM-WBVHZDCISA-N 442.398 4.671 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2OCCC)S/C1=N\c1ccc(O)cc1C(=O)O 16926990 XLYZBKBJFZASAD-AXBKCQHESA-N 438.505 4.669 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)Nc1ccc(Cl)cc1 21077721 HTBUBPSZDDUTMM-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Br)ccc2F)cc1 21256204 MLBUMJFSIYZOEI-RHSMWYFYSA-N 428.301 4.901 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)c1 33431328 DEIYXPIMSGKEFL-QFIPXVFZSA-N 433.460 4.553 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1 33601093 FKQUCZOYOJGXCY-QHCPKHFHSA-N 432.520 4.525 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 34954451 JIBKHBVKIQSNFN-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE Cc1c(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N 38623665 BIIPZUCNDUNUFY-CRAIPNDOSA-N 449.309 4.695 30 10 IJEE COc1cccc(/C=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)c1OC 39866497 DVUXLULZIYKOLV-PJTLKFSUSA-N 444.582 4.800 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(Cc1ccc3c(c1)OCO3)CO2 41646947 KDKGILNSMDRCKO-RMORIDSASA-N 427.456 4.692 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1 59015314 CWYTWKGZPIXGGM-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE C#CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(OC)cc2)c1 64797158 CBABWOUHKSNDJD-GOSISDBHSA-N 433.485 4.608 30 10 IJEE CCCCCCOc1ccccc1C(=O)/C=N/NS(=O)(=O)c1c(C)cc(C)cc1C 169904445 XLLBLKHQPYHMLN-LFVJCYFKSA-N 430.570 4.718 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1OC 169939681 YTNWZZAVQHDPLU-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1cccc(C)c1 169970712 HUVODUQZPFEZTC-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170077523 UMPFFACSYNMRJN-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170100138 RYLAIKDEXWTRSW-LJQANCHMSA-N 437.521 4.510 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(C)c2)cc1C 170145845 ASUDMDBXBYYLIT-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccccc1OC(C)C 170151069 JOLHGRSPIBJODD-QFIPXVFZSA-N 441.499 5.000 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)c(OC)c1 170154231 NVIJGHPDTIFNLI-IBGZPJMESA-N 441.530 4.605 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 170176980 IACXRNHAZFMZBJ-LJQANCHMSA-N 426.806 4.796 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)cc1 170200815 BZBXXIYHGLJZFI-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1F 170249466 BIASFTPZFLUBFD-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)cc1 170274463 OBTHLXFENUDJHB-XMMPIXPASA-N 442.515 4.957 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccco2)cc1Cl 170288392 UUMJNDVXFBCZLD-HXUWFJFHSA-N 437.835 4.753 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1c(C)[nH]c2ccccc12 170311989 KBYOSKYYHCAXAY-HSZRJFAPSA-N 448.519 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1cccnc1)c1ccccc1 170355796 ULONDWWTQLNXTO-LJQANCHMSA-N 435.277 4.627 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1O 170409018 UPXYPYRDXIPIEJ-LJQANCHMSA-N 441.892 4.899 30 10 IJEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)cc1 170428903 DKYQVOCMZHHQKV-QFIPXVFZSA-N 433.508 4.704 30 10 IJEE Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 228849778 TWZUAHRALUWIPO-MBSDFSHPSA-N 425.960 4.566 30 10 IJEE C=CCOc1ccc(CNC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1Cl 236957084 FQEOONXMLYHQHZ-UHFFFAOYSA-N 428.960 4.698 30 10 IJEE C=C(Br)COc1c(Br)cc(/C=C\C(=O)O)cc1Br 380866985 UVFHVMPCXKDTKN-IHWYPQMZSA-N 440.913 4.597 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCOC[C@@H](C)C1 460794041 PHBUYRZOINEJKD-IBGZPJMESA-N 436.531 4.712 30 10 IJEE C=CCn1c(SCc2noc(-c3ccccc3C)n2)nnc1[C@H]1COc2ccccc2O1 471214200 ZNOUJZBUPJRCTO-LJQANCHMSA-N 447.520 4.627 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 475558467 JOVUBXOMQUMKQQ-UHFFFAOYSA-N 427.495 4.807 30 10 IJEE Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccccc3C#N)C2=O)c(C)c1 526646617 AANIOVRRNBMHML-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 549326797 TUYCETHOPYTJLS-HNNXBMFYSA-N 442.545 4.620 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 555290903 YZIMDYNGDJBFCW-FQEVSTJZSA-N 437.613 4.797 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 558999547 GAKJDDFOSDLBJX-JOCHJYFZSA-N 438.959 4.707 30 10 IJEE CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)CC2 562108339 BZTKUKRGBBJAOO-UHFFFAOYSA-N 426.476 4.581 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)c1ccc(OCC(C)C)cc1 586217198 DZZDCGXZNLWZLL-UHFFFAOYSA-N 430.570 4.846 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](Oc2cccc(F)c2)C1 670208112 BLPJARVRJBNAND-HJOGWXRNSA-N 448.542 4.896 30 10 IJEE Cc1cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 687734277 WZRWSEOOPPRHPG-DEOSSOPVSA-N 426.472 4.921 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccncc1Br)NCCC 702965379 QTWRFZOYJLDLOB-ZWKOTPCHSA-N 426.399 4.614 30 10 IJEE N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CCN1C1CC1 740457406 GNWVXFLWKPNEKX-GOSISDBHSA-N 430.430 4.702 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 764545956 CFNCTSSAJVNCFK-GDBMZVCRSA-N 427.998 4.745 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)OC[C@H](C#N)Cc1ccc(F)cc1 780333443 MVKMYORVNZVBOF-KRWDZBQOSA-N 434.496 4.533 30 10 IJEE COc1ccccc1-n1c(N)c(C#N)sc1=NC(=Nc1ccccc1)c1ccccc1 1081119640 VVFIHLRVXWITMM-UHFFFAOYSA-N 425.517 4.680 30 10 IJEE COc1cccc(C=NNc2nc(SCCC(=O)Nc3cccc4ccccc34)n[nH]2)c1 1084445479 VNNDPQXKFACBIH-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccccc2)n1)Nc1ccccc1Oc1ccccc1 1084475912 QEICDANBGPJDSZ-UHFFFAOYSA-N 444.520 4.774 30 10 IJEE C=CCn1c(CCCc2cccs2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1116923544 BUKJCYAIESCINW-INIZCTEOSA-N 435.018 4.994 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC 1125572281 ZGJDRAZZLQYHCD-UHFFFAOYSA-N 425.532 4.964 30 10 IJEE COc1ccc([C@H](C)OC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(Br)c1 1127466292 IBHCDDJFRIJLIY-VBKZILBWSA-N 429.314 4.603 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2c(C)nn(C3CCOCC3)c2C)C(C)(C)C)cc1 1128143598 MNYIUAZJHQIMGD-UHFFFAOYSA-N 425.573 4.857 30 10 IJEE C=CCOc1ccc(CNC(=O)CCCCc2ccc(I)cc2)cc1 1128761227 FCCPIQRDPWPQNN-UHFFFAOYSA-N 449.332 4.885 30 10 IJEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1129126547 BMHVGRIWHAICQU-QFIPXVFZSA-N 440.584 4.522 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCCC1 1131111580 QZAYPDHPZPVGKX-UHFFFAOYSA-N 432.630 4.896 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Br)cc1Cl 1136460589 HVYGPFSAXQPGGR-INIZCTEOSA-N 445.785 4.968 30 10 IJEE O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1noc(-c2cccc(F)c2)n1 1137836641 FFEJDDGOXCGKKY-ZDUSSCGKSA-N 433.283 4.928 30 10 IJEE C#C[C@H](N[C@@H]1CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1)c1ccc(Br)cc1 1182043816 PAEWQCVXGPPLIS-VQHPVUNQSA-N 432.280 4.623 30 10 IJEE CC[C@](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)(C(=O)OC)c1ccccc1 1197961965 DOYWYDZZAZIVNB-RPLLCQBOSA-N 441.531 4.985 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@@H](C)C2)c1 1209497922 KDIFFWVNLDVEJF-FPGHNAPASA-N 440.609 4.757 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)c(C#N)cn1CC 1219176192 CZNUVBFQVBYEKR-KRWDZBQOSA-N 432.883 4.622 30 10 IJEE Cc1cccc(Oc2ccccc2CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 1221835912 FRIFTIVBVYAWFZ-XMMPIXPASA-N 440.547 4.707 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 1227448022 AEUUFPNZNSKTND-OKZBNKHCSA-N 448.158 4.741 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1253983247 UUEUIIMSYQOAAO-OAQYLSRUSA-N 429.605 4.852 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](OC)c2ccccc2Br)cc1 1264802130 RXBHJGOMTPURFR-HXUWFJFHSA-N 443.341 4.590 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2cccc3c2OC(F)(F)O3)s1 1279832344 IRXVHKOFGVJABF-UHFFFAOYSA-N 446.928 4.519 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1csc(C(C)C)n1 1286283637 TUNNBZMEQFFYMJ-HNNXBMFYSA-N 444.004 4.888 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C2CC2)C1 1286317449 MKJMERDEADAMJA-GOSISDBHSA-N 443.389 4.756 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 1286333878 COFYDHBJEARPTB-ZCNNSNEGSA-N 429.609 4.778 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC=CCC1 1286402452 XJVGTIWWHXFWFD-MRXNPFEDSA-N 443.776 4.790 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1ccc(N(CC)CC)nc1 1286454719 OGIXARWGQKONIO-UHFFFAOYSA-N 448.590 4.644 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(CCc2cccc(F)c2)C2CC2)nnc1C(C)(C)C 1286568817 YMPNFOQVINIGDU-DENIHFKCSA-N 426.580 4.907 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(F)cc(C)c2C1 1286587785 GJGOGDNXWDSZIH-UHFFFAOYSA-N 430.325 4.622 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1286614162 MSXIVNSRCKMLHE-QFIPXVFZSA-N 446.020 4.947 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC=C(Br)C1 1286631927 BBHNFEUHYYVAKF-UHFFFAOYSA-N 437.769 4.715 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCc2ccn(-c3ccc(F)cc3)n2)CC1 1286658995 GOTHHMHFLNSBHP-UHFFFAOYSA-N 436.579 4.837 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1286676382 YTFIQUDOFGUHCW-JOCHJYFZSA-N 449.599 4.584 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(CC1)CNC(=O)C2 1286682112 DGJMBLAIVQOTOJ-UHFFFAOYSA-N 448.398 4.715 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1286694033 JHHHJMIWCIHZMK-SFHVURJKSA-N 443.592 4.942 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](OCC)C1 1286695887 MEUXOHKAFCPSJM-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C(C)C 1286744009 AHTQNIOWLBUNQI-DRLORSAXSA-N 440.632 4.796 30 10 IJEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@]1(C)CCCS1 1287199803 DMHSZFRCAQPCEJ-HSZRJFAPSA-N 425.602 4.607 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(C(C)C)C(C)C 1300285998 DCZNIZYKWXLVKV-GOSISDBHSA-N 432.012 4.574 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1300366960 UECYBRRXPGTBCK-HXUWFJFHSA-N 445.405 4.621 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(Cc1ccco1)C(C)C 1300743477 RBPMHZSUUJYVNU-UHFFFAOYSA-N 446.580 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)c2ccccc2)CC1 1300877485 YCOLDSHUVJRIFO-UCFCWBNQSA-N 436.600 4.872 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC[C@](C)(C#N)C1 1300897061 NNQJCARZFCICQB-LJGDZFJRSA-N 449.599 4.531 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 1300980448 PLTFOVUZOTWSTE-HNNXBMFYSA-N 439.387 4.848 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(Cc1c(F)cccc1F)C1CC1 1300990003 AYWDTXUYJUAAHN-UHFFFAOYSA-N 439.510 4.688 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)c1ccccc1 1301007114 CRGGZBIDIRKWGM-OAQYLSRUSA-N 447.583 4.549 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301027831 YMPZBUHPQNPQNB-HNNXBMFYSA-N 425.335 4.622 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccsc2)N(C)C)CC1 1301097252 SZKVBMZNTMHTIZ-QHAWAJNXSA-N 443.661 4.718 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301174921 WNGGPUGBJHPYBF-RBBKRZOGSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1301177116 SOYKPNHWUNHZAS-UHFFFAOYSA-N 435.616 4.703 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1C1CC1 1301308229 BJQVIDQDRNCWFR-JOCHJYFZSA-N 437.632 4.794 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN(CC(C)C)C1)C1CC1 1301329947 GYKJKDGNPGUEJE-LJQANCHMSA-N 443.586 4.670 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@H](F)C1)C1CC1 1301331032 BZNLZODTSJTIDB-WBVHZDCISA-N 449.368 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CC[C@@H]1CCOC1 1301365522 RTKGPFKYFKSUMK-LJQANCHMSA-N 426.561 4.689 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1301445480 WFJXXKIMMHBOMT-UHFFFAOYSA-N 441.988 4.553 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)c(C)o1 1304149580 GGFBMSHYTRESMY-SUEVOUGKSA-N 447.583 4.949 30 10 IJEE C#C[C@@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccc(Br)cc1 1308786042 VLEGRWVTJLZZRS-QGZVFWFLSA-N 436.140 4.801 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC3(CC2)CO[C@@H](CNC(=O)OC(C)(C)C)C3)c1 1311298095 IZCDOJANDDMPCN-HXUWFJFHSA-N 429.561 4.647 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCCO[C@H]1CC(C)C 1312562372 WENYUHQIFYLEQD-MOPGFXCFSA-N 427.358 4.880 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1312852768 GCWIBSJTPKZNEC-JYFHCDHNSA-N 439.559 4.870 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)C1 1320964164 SCDFKLNSEOKGTR-NBUURPNVSA-N 439.440 4.912 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(-c3ccc(OC)cc3)n(C3CCCCC3)c2=S)C1 1325205824 JVVNXPRXULEOPA-OAQYLSRUSA-N 428.602 4.829 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1358936621 SFPMBRVBSOOSMI-DHIUTWEWSA-N 431.584 4.651 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC[C@@H](OCC)C(C)C 1359003450 LKTGULWCRBXFBF-OAHLLOKOSA-N 439.423 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCCN1CCCC[C@@H]1C 1359071708 ZYXLPFAHOPOCFM-HFZDXXHNSA-N 437.607 4.655 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1359082834 VFEZVLGASWFJID-FQEVSTJZSA-N 444.421 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(OCCC(C)C)CC1 1359095167 LBXWUBKLPPTSBF-UPVQGACJSA-N 438.616 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=O)N(C)CC 1359107377 KRPVVGXPGIUXGC-SFHVURJKSA-N 448.011 4.569 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359124662 XILAJQUAOWXXQG-VQIMIIECSA-N 425.335 4.592 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(OC)C1 1359128278 PBTHBLHRJVRKSM-HOYKHHGWSA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359158910 HVWRPMDZKBAINA-UGKGYDQZSA-N 441.595 4.834 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCCN2CCCC[C@H]2C)CC1 1359168083 HOZBWHDOEMQJDJ-HSZRJFAPSA-N 437.632 4.977 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN(C)C(C)C)CC1 1359181910 MAMGHBGPSSPIBM-UHFFFAOYSA-N 434.053 4.966 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccsc1 1359184009 ZNCALKNGJRUOEO-GOSISDBHSA-N 436.585 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCC(C)CC1 1359191178 QEZWKIYJCDOLND-UHFFFAOYSA-N 429.634 4.887 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](OC)C1 1359198833 CFRISZLKTRUBJQ-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC2(C1)OCCO2 1359268070 CDAKDUHFDKPZMC-INIZCTEOSA-N 449.382 4.974 30 10 IJEE Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2n1 1434914175 AKPKRYKALNJQHS-UHFFFAOYSA-N 437.381 4.973 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1C#N 1435269170 FLJCLHQBYKYXKD-LOSJGSFVSA-N 440.934 4.938 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1438149366 XIWAITFZDKQNKT-HNNXBMFYSA-N 441.534 4.514 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C)c1ccc(Cl)cc1 1450846625 JXUAZGASZZIRBG-DZWOVHDNSA-N 434.967 4.915 30 10 IJEE COc1cc(CN2CCOC[C@H]2c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1 1460109897 FCJPWBSNEJXNIH-DEOSSOPVSA-N 432.495 4.858 30 10 IJEE C=C(Br)CNCc1ccc(OCCOc2ccccc2Cl)c(OC)c1 1461169517 HFGYEZWTNPQYBT-UHFFFAOYSA-N 426.738 4.805 30 10 IJEE Cc1c(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1C1CCOCC1 1465762821 CDHZFJKAHFEXIG-UHFFFAOYSA-N 435.459 4.990 30 10 IJEE C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)C1 1467604946 AWNATYHCWNWWDE-NHCUHLMSSA-N 430.596 4.910 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1467934761 FJOUYSZPXSZGKT-FQEVSTJZSA-N 430.907 4.651 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1Br)c1ccc(Cl)cc1F 1469198715 BZOWFPWAQFIIDG-PXAZEXFGSA-N 439.712 4.683 30 10 IJEE Cc1ccc(CN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H]2CCc3ccccc32)cc1 1473267041 HZEMVEGXMNPWRC-NAKRPHOHSA-N 426.560 4.991 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2c(F)cccc2F)n(-c2cccc(F)c2)c1C 1473812181 DPVKVUOVGMSITN-AWEZNQCLSA-N 426.442 4.672 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 1474383758 GLWOSBWTYIXJGP-QGZVFWFLSA-N 425.891 4.921 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)N3CCCC3)cc2)c1 1476140914 FLHHRIACRIYRAI-OAQYLSRUSA-N 448.523 4.969 30 10 IJEE C[C@H](CO)C1CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1476792234 HILLRIJOSNHMLS-LLVKDONJSA-N 430.364 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OCC)CCCC1 1507530948 YYHXMFBVZIDMEW-FQEVSTJZSA-N 448.567 4.924 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1507557572 MJMWUVZNXADULT-UHFFFAOYSA-N 447.627 4.637 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(OC(C)(C)C)CC1 1507578218 XWFOURWTCDTMDD-UHFFFAOYSA-N 432.572 4.533 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](c2ccco2)C1 1507580094 RTYONTGWDVPXNE-MRXNPFEDSA-N 425.330 4.708 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H](OCC)C(C)C 1507607192 LLOHDQOKHIVMEX-IBGZPJMESA-N 433.394 4.537 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncc(CC)s1 1507663898 MJYYYBJBTZDTMU-UHFFFAOYSA-N 431.609 4.773 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](CC(C)C)N(C)C 1507765613 TYYKALVCAGNKFM-FZOAFFARSA-N 441.595 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1507798415 TWIMCMCNVIFZQE-WKZKVMAPSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1507803245 FQAKFQHJSGLBSW-NGYIFUPDSA-N 439.991 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(OC)C1CC1 1507814008 IJVRJUBFFKISRA-NRFANRHFSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(OC)CC1 1507837003 GJCFBPXFGQFADI-CYFREDJKSA-N 446.567 4.545 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507869186 ONIWPOICHJXBGH-QHCPKHFHSA-N 427.980 4.744 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cn(CCCC)nc2C)CC1 1507908947 LQKDTCAEZXYNJQ-UHFFFAOYSA-N 448.615 4.921 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1507915530 CEDDMKSRMZFOGU-LEWJYISDSA-N 428.577 4.901 30 10 IJEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1507966577 UHHTYHUYAMORKT-GOSISDBHSA-N 442.457 4.517 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H]1C(F)(F)C12CCC2 1507998137 CQSXVTCJGYANEL-HXUWFJFHSA-N 425.527 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1Cc1ccc(OCC(F)(F)F)nc1 1508006788 LIQQGYGQIOLXTA-UHFFFAOYSA-N 449.502 4.794 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CC(C)(C)N1CCC[C@H](C)C1 1508028819 WEKSYBBZMGKFER-NRFANRHFSA-N 448.615 4.679 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCc1cccs1 1508037654 NSDHSFUMHSAZIO-UHFFFAOYSA-N 447.402 4.651 30 10 IJEE CCc1cnc(Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)s1 1513714722 FHJOAGUOPMLBGM-UHFFFAOYSA-N 426.977 4.796 30 10 IJEE C=CCOc1ccc(CC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1 1516211862 LILXKSICELGAMI-UHFFFAOYSA-N 444.369 4.764 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(I)ccc2F)C(F)(F)F)cc1 1525856615 UYWQAKTUJVKJHR-HNNXBMFYSA-N 448.153 4.872 30 10 IJEE Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc(Br)cc1C#N 1527013404 CKNRAWCXZFCNIJ-CQSZACIVSA-N 440.341 4.754 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@H](C)c1cnc(-c2ccc(Br)cc2)s1 1534531370 YXDUAUJJRDCSQD-MLGOLLRUSA-N 437.359 4.648 30 10 IJEE C#C[C@H](CC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1535483119 CSZIJWKIEOUYIE-BMINWGARSA-N 426.516 4.880 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCSCC 1539032175 UJWVKEINKRHHIZ-CQSZACIVSA-N 427.401 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1C 1539622358 WRAJGBVLIOVITC-AYBZRNKSSA-N 431.378 4.678 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)S[C@H](C)C1 1539730707 SCLRECRZWIDJSB-SVFBPWRDSA-N 444.645 4.958 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@](C)(O)CCC)CC1 1539828865 QBGJCUOLCUYZEF-DVECYGJZSA-N 428.577 4.524 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1539841571 IJMISMMOJJIBSE-UHFFFAOYSA-N 441.482 4.545 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCC[C@@H](C)C2)CC1 1539897982 NREUODOIFSNJGK-HXUWFJFHSA-N 437.632 4.608 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H](C)C1 1539963052 JSADVKAWNCVWFB-SLFFLAALSA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1540048018 OVXDXSHHXCMFNI-YDIMBITNSA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H](C)c1nccs1 1540133603 IAZVVIHUDGXVHS-KRWDZBQOSA-N 434.544 4.932 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1csc(CC)n1 1540154459 WZLFQFRHYYUVGO-UHFFFAOYSA-N 444.402 4.953 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1540177694 TUZXQEAFOZMEHZ-SZPZYZBQSA-N 439.648 4.524 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCCC(F)(F)C2)C1 1540885484 KARNCIMVWPLGTR-RXVVDRJESA-N 446.542 4.951 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCCCC2)C1 1540885735 OMNPFNVEAOEWHU-OAQYLSRUSA-N 444.023 4.644 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)c3cccc(Br)c3)n[nH]2)c1C 1543394695 LTRDAEFJSMNSBK-UHFFFAOYSA-N 428.334 4.505 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)c1nc(C)cs1 1545740712 CESFIWVURAUWSR-QUZZAMIASA-N 438.576 4.831 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CCCCC2)c1 1554803474 COFWOGGCVZPZEU-OAHLLOKOSA-N 446.393 4.892 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1 1557005095 GNRTYXJZOKRGFB-UHFFFAOYSA-N 431.926 4.635 30 10 IJEE C=CCn1c(S[C@@H]([C@@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CCCC3 1559330799 QJCBRYDOSUCWFG-ABAIWWIYSA-N 430.517 4.582 30 10 IJEE CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1561527145 ZJMKHNBPHRVYSY-UHFFFAOYSA-N 438.210 4.854 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(I)cc(C(F)(F)F)c1C)C(C)(C)C 1563255130 IWYRLDNLMKXWIC-ZDUSSCGKSA-N 438.231 4.788 30 10 IJEE C=CCC1(C(=O)N2CCC[C@H]([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCCC1 1583738777 HKVRBQHEGFCISD-HBMCJLEFSA-N 434.621 4.824 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CC=CCC2)ccc1Cl 1584790242 FWTBTRMGFYVOIC-QHCPKHFHSA-N 444.984 4.950 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccn1Cc1ccccc1Cl 1586064365 VBDZRRJCCJTBTA-MRXNPFEDSA-N 439.343 4.559 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1586856470 OALFLBRNIHTDJT-UHFFFAOYSA-N 438.936 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](CCC)OC 1587585611 CMKWWLLMBKQROW-UKRRQHHQSA-N 439.785 4.634 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 1587820140 GEQDALWIMVBVGN-HXUWFJFHSA-N 426.561 4.519 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(OC)C1CC1 1588198480 VGXCMLPTWXZXGM-QFIPXVFZSA-N 431.367 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(C(C)(C)C)no1 1588200332 LSMUREXKDDCTNM-UHFFFAOYSA-N 439.922 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCCO1 1589504937 KDCJXEWEUMTATQ-CDXJDZJCSA-N 448.970 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC 1589506661 ZIYDNBRBVZWUOL-HKUYNNGSSA-N 433.394 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(COC)CCOCC1 1589599809 MTYVZIKTEZPUMF-UHFFFAOYSA-N 438.616 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)c1ccsc1 1589663726 PPACZGBLNICSJR-QFIPXVFZSA-N 432.540 4.519 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1594225488 ATDYNOCMFNGCDS-UHFFFAOYSA-N 443.498 4.528 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)COCc2ccccc2)CC1 1594247632 NGIDCEYGIUTSIP-OAQYLSRUSA-N 431.584 4.519 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 1594573509 SLPSSFIIGFYJIA-OALUTQOASA-N 438.551 4.641 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1594582568 RFHDIEPCELNDCE-CMKODMSKSA-N 444.645 4.728 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN2CCCC[C@H]2C1 1594591008 IDJDAQKYPNNURV-SFHVURJKSA-N 444.421 4.738 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1595211648 GLVJEFUDIJQGOH-QUCCMNQESA-N 429.609 4.760 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)c2cccs2)C1 1595745648 UWYFVEOECWLXJM-OAQYLSRUSA-N 436.625 4.884 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC2CCCC2)C1 1595755288 VCHPKYHNOJIZEI-BHDDXSALSA-N 430.637 4.948 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(C)s1 1614886774 ASDNPIPTXZZTJF-NRFANRHFSA-N 434.613 4.698 30 10 IJEE C#Cc1ccc(NC(=O)CCN2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)cc1 1615576872 CHTZTMKQQUCXEP-DQEYMECFSA-N 447.579 4.508 30 10 IJEE C#CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@@H]1CCCc2ccccc21 1617567323 XQOYSNFTBXDBFG-JOCHJYFZSA-N 441.497 4.856 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)[C@@H]1CCCO1 1622949488 VMPPYSHNZVZHRM-MOPGFXCFSA-N 446.429 4.652 30 10 IJEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1)[C@H]1CCCc2ccccc21 1626711402 ZEUZOXGJEZLGQH-OZXSUGGESA-N 428.576 4.922 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H]3CCC(C)(C)CN3C(=O)OC(C)(C)C)cc2n1 1627664596 VDVXMGSEIWVSSA-LJQANCHMSA-N 441.576 4.770 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 1628588578 YWRSQWBBOYVLSZ-VQIMIIECSA-N 447.963 4.956 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 1628632346 KKMXZUNQEMQCSC-LJQANCHMSA-N 432.351 4.808 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 1629832864 URTWGPMYMUYWCZ-QUCCMNQESA-N 442.044 4.525 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc3c2CN(CC(C)C)C3)CCCN1C(=O)OC(C)(C)C 1631294479 JIWQOEPUOLUYBW-RUZDIDTESA-N 427.589 4.943 30 10 IJEE C=CCCCCCCNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 1635114532 TWZFFFBGZXJKGB-UHFFFAOYSA-N 426.374 4.552 30 10 IJEE C=C[C@H](C)ONC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1640634728 DQGAIIQESSPJPX-UYTDBDHRSA-N 430.504 4.975 30 10 IJEE Cc1ccccc1C[C@@H](C)NC(=O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1642052015 GITKNKYMTULMOL-OAQYLSRUSA-N 429.539 4.755 30 10 IJEE COc1ccc(-n2c(Sc3ncc(C#N)cc3F)nnc2-c2cccc(OC)c2)cc1 1651334958 CIOTXIHELUHIKA-UHFFFAOYSA-N 433.468 4.508 30 10 IJEE Cc1ccc([C@H](NC(=O)COc2ccc(Br)cc2C#N)c2cccs2)cc1 1651866373 DFHOVNKQQMTYTL-NRFANRHFSA-N 441.350 4.975 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 1652653464 RMFWJNMTPARNBD-HXUWFJFHSA-N 434.536 4.748 30 10 IJEE C#Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(OCC)c(OC)c2)Cc2ccccc2)c1 1652883935 XPKNIKQZCWDQNV-NRFANRHFSA-N 442.559 4.959 30 10 IJEE Cc1cc(Oc2ccc(CN(C)S(=O)(=O)c3cncc(C#N)c3)c(Cl)c2)ccc1F 1656697208 ATLBUDSDEWBGQM-UHFFFAOYSA-N 445.903 4.667 30 10 IJEE C=CCN(Cc1ccc(O[C@H](C)C(=O)OC)cc1)Cc1cc(Br)ccc1F 1657183091 NYVUMKQBIHEUPG-OAHLLOKOSA-N 436.321 4.717 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1OC 1657787220 AJYQYUUIKLLKCG-ISKFKSNPSA-N 433.951 4.916 30 10 IJEE CC(C)[C@H](CNS(=O)(=O)c1ccccc1CC#N)Cc1ccc(Cl)cc1Cl 1660208567 CIGIRXILWULTNJ-KRWDZBQOSA-N 425.381 4.853 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C(=O)NC3CC3)c2)cc1OCC 1662086778 QIUQRKKWBBDAAA-UHFFFAOYSA-N 445.357 4.917 30 10 IJEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 1668468345 ILUCJMASOOFBLZ-UHFFFAOYSA-N 446.288 4.692 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(OC)cc1OC)CC1CC1)c1ccc(Cl)cc1F 1674036488 PQCMUWHWAMFYCE-OAQYLSRUSA-N 430.907 4.792 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(c3ccc(Br)cc3)CC2)c1 1674221783 XBGYAOAIGHIPQX-UHFFFAOYSA-N 430.346 4.758 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](CO)c3ccccc3C(F)(F)F)c2)nc1 1674863619 CRZHBUAXDZEZFP-IBGZPJMESA-N 442.397 4.619 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)c(Cl)c1 1675169262 IUAKBORNKFUADF-SFHVURJKSA-N 442.821 4.772 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 1680097648 YBCANKAXDNQFLN-KBPBESRZSA-N 438.391 4.568 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc21 1680802278 LGHVHGLHBZHDCW-UHFFFAOYSA-N 447.539 4.795 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)NCc3ccc(Sc4ccccc4)cc3)CCO2)c1 1680803305 AFCKIKLZCVZTSM-XMMPIXPASA-N 429.545 4.993 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC 1683199095 OSWGGKAHLYUKOI-JOCHJYFZSA-N 431.502 4.933 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1686174179 ZIDWVYQKTHBVCY-FOIQADDNSA-N 437.531 4.917 30 10 IJEE C#C[C@H](NC(=O)N1CC(Cc2cccc(Br)c2)C1)c1ccc(Cl)cc1F 1686922363 HKNPSYJHJVJBRX-IBGZPJMESA-N 435.724 4.800 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](OC)[C@@H](C)CC 1689831580 NGBOQTMJEPIZJE-AXHZCLLHSA-N 433.600 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1c(C)noc1C 1689837232 BLCSDFFMBZGXRH-CQSZACIVSA-N 435.528 4.924 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1C1CCC1 1689938400 KGHPMVPHDWBJGC-HXUWFJFHSA-N 443.389 4.802 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)c1ccccn1 1690002016 XGOZYPDODKYMQP-LJQANCHMSA-N 447.970 4.517 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccco1)C(C)C 1690186643 SJBNEFSQHYXCFR-WOJBJXKFSA-N 430.618 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(OC)CCCCC1 1690257955 ZPGPOABFTLWKPT-UHFFFAOYSA-N 436.398 4.787 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(OC(C)C)nc2)CC1 1690379203 LJDMFTVBBBNTFP-UHFFFAOYSA-N 431.584 4.840 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1690412274 KMEJULJTLAVJFE-HOYKHHGWSA-N 430.543 4.897 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1690430233 GKOPQDHDRHRHEX-KRWDZBQOSA-N 445.995 4.503 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1cscc1C(F)(F)F 1690533620 PNWSVSDRCJGCPG-UHFFFAOYSA-N 438.475 4.617 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC1CCN(Cc2cccs2)CC1 1690588515 YSFXLIOUVFOYAD-UHFFFAOYSA-N 437.613 4.999 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCc2cccnc21 1705505846 OQAOQSSLUQJTJA-ICSRJNTNSA-N 447.608 4.552 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705539310 ONVKOFLUGJJERH-ZCNNSNEGSA-N 429.609 4.778 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1CCC(F)(F)CC1 1705576501 LZMAVBALCRVPJF-UHFFFAOYSA-N 447.327 4.606 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCC1(F)F 1705586973 DFWVFZDJUNIKRX-IBGZPJMESA-N 428.552 4.777 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CSCCS1 1705607345 ZSMUEEPPCFLVSM-KRWDZBQOSA-N 432.684 4.584 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705812071 QMAFSJNXLCZACB-SFTDATJTSA-N 434.588 4.729 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC(CC#N)CC2)s1 1707712858 DMSYBSXVHHYTDK-INIZCTEOSA-N 438.576 4.707 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1c(C)noc1C 1722282768 RHNQYGSTWDYQOG-ZIAGYGMSSA-N 442.361 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nccs1 1722498261 UHOZLOJMCAYYIM-HXUWFJFHSA-N 448.379 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)CC(C)(C)C1 1722511170 XJCJUCAHQYVWJZ-LEEZEASISA-N 438.616 4.731 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCCc2nc(C)cs2)CC1 1722567346 VBASCDOMCPRVPU-UHFFFAOYSA-N 437.613 4.822 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1722592066 SAMZSWYENQPHON-UHFFFAOYSA-N 449.643 4.738 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)c1ccccc1 1722593917 CKKDXBZYAXKGIH-BGWNEDDSSA-N 448.615 4.946 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722606809 URXIIYMIXOMPLX-QFIPXVFZSA-N 434.588 4.769 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CCc1ccc(OC)c(Br)c1 1722642310 YCYYESORLOOGLE-UHFFFAOYSA-N 447.402 4.566 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1722643363 KSLXCGKEUWQTCA-WOVHNISZSA-N 438.616 4.852 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCSC1 1722679091 NATWHZBETCUQCD-LJQANCHMSA-N 437.613 4.584 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1722694460 WMAHGLFJSDQKBQ-BWAGFHJFSA-N 435.616 4.560 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1727303026 DIGWVXSGHINOMI-FQRUVTKNSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)C1CCCCC1 1740535165 NXIDLQVBKKEUJH-HEKZAOSPSA-N 438.616 4.824 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2(CCC)CCC2)c1 1740563335 SPQUHZLFTIJGAY-UHFFFAOYSA-N 433.600 4.962 30 10 IJEE C#CCCCCn1c(COc2ccccc2OCC)nnc1N1CC=C(C(F)(F)F)CC1 1740580466 YYLMEBCAHVECCG-UHFFFAOYSA-N 448.489 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCc1nc(C(C)(C)C)cs1 1740730770 HUSZTGQYXGCQMS-GAJHUEQPSA-N 427.618 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(C)(C)C 1740753613 MCXXSNAGBIEETM-KNQAVFIVSA-N 434.588 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(Cl)nc2)CC1 1740835525 GGUJXIPMCFLLLD-UHFFFAOYSA-N 447.768 4.535 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(OC)C2CC2)CC1 1740836238 MOWKBKHQFIOHGP-QFIPXVFZSA-N 445.405 4.925 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740869870 CLJGDPVUGXLTQM-OALUTQOASA-N 440.588 4.954 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740879523 IKDKPCNBYUAILJ-VQTJNVASSA-N 428.552 4.605 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCCC1 1740884334 XOESARMTERYNPQ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@H](C)C1)C1CC1 1740910329 CNUWKIRWJCYLLU-VAMGGRTRSA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1Cc1ncccc1N(C)C 1740921656 CNXVZMXQUCWXOG-UHFFFAOYSA-N 430.581 4.709 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(OC)CCCCC2)C1 1740975157 SUVCSHPQDFSYJC-FQEVSTJZSA-N 430.980 4.729 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN(C)C2CCCCC2)cc1 1744335801 CWXWEWURJCOTFI-RUZDIDTESA-N 438.595 4.604 30 10 IJEE CCCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1 1745631250 AOCURZXIHXOWFV-NRFANRHFSA-N 425.602 4.641 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1748856102 SAJOLGIZSPUWKC-WNCULLNHSA-N 448.611 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCSC1(C)C 1749148810 HJZNKWCMSIPVJF-KRWDZBQOSA-N 430.618 4.896 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2ccc(C)nc2)CC1 1749334185 DEWCGIKMCQBVEL-UHFFFAOYSA-N 447.583 4.897 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749396341 ZYQPSVMEFDXTJB-KRWDZBQOSA-N 429.977 4.989 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC2CC2)CC1 1749411961 HQJCLLCRDLSAOE-GOSISDBHSA-N 429.996 4.570 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCSC(F)(F)F 1749590719 DXUIAWWRRLYGOR-UHFFFAOYSA-N 437.491 4.730 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)=C(Br)C1 1749614015 NUZDWRPAFSVGAW-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCC)C1 1749701244 QWHXOOFTAHWECI-INIZCTEOSA-N 437.357 4.818 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCN1C1CC1 1750791904 CXTMUWNEODPXGS-DEOSSOPVSA-N 445.615 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN(C(C)C)C1 1760097114 AIZRLEHOAQRRBT-MDNUFGMLSA-N 437.632 4.613 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCc1sccc1C 1760226110 KOHJZHYCRQERPM-UHFFFAOYSA-N 429.387 4.780 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1760420551 QNQUZQMIWLRDCO-QFIPXVFZSA-N 437.632 4.630 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(OC)CCOC1 1760485859 SVGPWBZAQUDLRQ-QFIPXVFZSA-N 444.988 4.658 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)Cc2ncc(CC)s2)nnc1C(C)(C)C 1760534068 RCVGFTSVVSPAED-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1761077571 CLXSCTBSAXFMIB-IBGZPJMESA-N 446.640 4.957 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](F)C2)C1 1761545668 HPODNUMITRKSID-TVTNDZMWSA-N 431.943 4.779 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@H](C)CC#N)C1 1766077895 BVQVEUGIZFFVCB-OTWHNJEPSA-N 440.661 4.602 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1C#N 1860665525 MWBHDYFCSURAGO-FVNWOWOISA-N 439.556 4.947 30 10 IJEE N#Cc1c(O)nc(SCC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1Cl 1860826958 MFCHAIUVYLGATA-UHFFFAOYSA-N 431.304 4.758 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 1861007919 IYFVRZHOGXHBJV-QFIPXVFZSA-N 425.529 4.851 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)c(F)c1F 1861786341 YQWCIKCVIGSPHG-HXUWFJFHSA-N 434.502 4.922 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)ccc1O 1862436232 OICXTDUJOKZECT-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1c(F)cc(F)cc1F 1862457065 GWMGUOKVVPFYPW-LJQANCHMSA-N 445.418 4.650 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 1862473874 HWCYSSYFNSPYRQ-HSZRJFAPSA-N 438.543 4.834 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2cccc3ccccc23)cc1 1862480731 MYOIORBLUHTTEM-XMMPIXPASA-N 437.499 4.692 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1 1862508172 YIDLJNZAASGNCF-HSZRJFAPSA-N 438.543 4.834 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862533694 NAZRQTVUELCPAV-XMMPIXPASA-N 442.515 4.821 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(OC)c1 1862549460 PMPWECCREBRVQE-CMJOXMDJSA-N 435.520 4.656 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862552953 OHVBNEWPKGCAMW-HXUWFJFHSA-N 440.883 4.725 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2F)cc1 1862595251 LZUPIFVHFFAUIK-QHCPKHFHSA-N 449.453 4.800 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCc1cnc[nH]1 1862648974 ODCRTPOVMMKZOT-DEOSSOPVSA-N 437.499 4.692 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 1862653349 QWQZBJKLSVNLPZ-VOIUYBSRSA-N 443.499 4.988 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 1862663467 RUBPMQPQLOLAEN-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1C 1870152671 FKOOESCWSYIUGS-RVDMUPIBSA-N 449.514 4.987 30 10 IJEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871396292 ZIKKBSDLILGDMZ-XKZIYDEJSA-N 444.443 4.624 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)NCc3ccccc3Cl)ccc2C1=O 1871448754 ZCXZRPALUJXGFX-FMCGGJTJSA-N 433.891 4.960 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871775723 GOIVIMFRUHAAPN-UWJYYQICSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871903912 DUPDIALVDNWICR-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cccs1 1872028911 SQAYXNOODXQENO-LJQANCHMSA-N 436.599 4.521 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872441251 LUERTGFIGACDFU-WZONZLPQSA-N 428.598 4.842 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(F)cc(F)c3)C2=O)c1 1873318995 YADKZYHJHQUERF-UHFFFAOYSA-N 443.453 4.846 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(Cc4ccccc4Cl)CC3=O)sc2C)cc1 1873528186 KMTAEMDOYDSOPK-UHFFFAOYSA-N 439.968 4.883 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(OCC)cc1 1874235963 IMHOPAYNZVMVPD-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(OC)c(O)c1 1874300799 TUTHYSOIZKRKAU-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1O 1874455494 VKIFJUWPEHQAIW-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2)cc1 1874465821 COMICOYWSMBXFP-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc(F)c1 1874476065 BMHYBTAAKQZLFT-ZMOGYAJESA-N 429.496 4.512 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1sccc1C 1874480100 IBVPQZAYJMFYRW-DMGPTTAYSA-N 441.626 4.842 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1cc(Cl)ccc1O 1874506928 CHKSGLKFMYJCIG-SSDVNMTOSA-N 448.932 4.534 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)c1 1874581119 XUFWGBKXPTUVNO-ACCUITESSA-N 435.451 4.757 30 10 IJEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2cc(OC)ccc2OC)c1Br 1874596800 DIGDRHCJWMRLIQ-RMKNXTFCSA-N 433.298 4.936 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)NCc1ccco1 1874613451 VBMMZFITZMUCBB-VQHVLOKHSA-N 425.868 4.533 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875163520 OUMVNYXRBHOPNF-UXBLZVDNSA-N 439.370 4.997 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cc(F)ccc2C(F)(F)F)C1 1890933285 KQGDBSZHRLMMGQ-ZDUSSCGKSA-N 449.370 4.999 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@](C)(O)c1cc2cc(Br)ccc2o1 1922052830 WXPFYSQHOPTKBB-FCHUYYIVSA-N 430.342 4.764 30 10 IJEE N#Cc1cccc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1928775219 NGVNVLXXPIOQDP-UHFFFAOYSA-N 427.504 4.508 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1c(Br)cccc1Br 1937829561 YEAHAJDIHSDVLX-LSDHHAIUSA-N 448.199 4.551 30 10 IJEE CC(C)(c1cc(C#N)cs1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952712963 LYSNJQAMAWFNPX-QFIPXVFZSA-N 446.528 4.889 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)C1 1965283406 FHUHGQMLMUQOBA-KYTVRQNUSA-N 444.575 4.812 30 10 IJEE CCc1ccc([C@H](C(C)C)n2nc(CC)c(/C=N/O)c2I)cc1 2079052481 VIPGRCGZXACABO-PBGVMVHZSA-N 425.314 4.666 30 10 IJEE CC(C)Oc1ccc([C@H](C)n2nc(C(C)C)c(C=NO)c2I)cc1 2080119868 RIWYUDQUAKIIMX-ZDUSSCGKSA-N 441.313 4.816 30 10 IJEE CC(C)CN(c1cc(Br)cc(F)c1C#N)C1CN(C(=O)OC(C)(C)C)C1 2118147732 IEJATWJAQAUPET-UHFFFAOYSA-N 426.330 4.542 30 10 IJEE Cc1nsc(C(=O)Nc2cc(Br)ccc2C#N)c1NC(=O)OC(C)(C)C 2124687598 HHEDMAJUFRJVGV-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2145542238 USJHLPUUMPWOBJ-HUUCEWRRSA-N 441.414 4.643 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(c3ccc(Br)cc3C#N)C2)C1 2174812853 POYHPEZBYHZZSD-HNNXBMFYSA-N 434.378 4.794 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)CC1 2181107504 JBBDLHXIJRVWTQ-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CN[C@@H](CC=CC#CC(C)(C)C)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2248472407 AHHIUNSCIMHAKS-QHCPKHFHSA-N 427.633 4.597 30 10 IJEE C[C@@H]1[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC(C)(C)CN1Cc1ccccc1 2283020007 QTCGPDBBAWIOCP-NTKDMRAZSA-N 449.448 4.669 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@H]1C 2296308603 KJWMMMDSUYUKKL-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 2314478051 PLUCEJJVVPRXPM-HXUWFJFHSA-N 432.303 4.618 30 10 IJEE CSC1(C#CC(=O)c2ccc(Br)cc2I)CCC1 2314708808 PYHNFYUQYOOGKU-UHFFFAOYSA-N 435.124 4.526 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2CCc2ccc(Cl)cc2)cc1OCC 2322114834 DFLYMWZPSIFQEJ-UHFFFAOYSA-N 430.961 4.685 30 10 IJEE CCCOc1c(C=Nn2c(S)nnc2Cc2cccc3ccccc23)cccc1OC 2322131508 XSOMCDWXISKBSO-UHFFFAOYSA-N 432.549 4.990 30 10 IJEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323310277 LJRHMYOMEOWQFM-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1nccs1 2323627220 YRHIMOLYTNRJOH-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OCCCO)c(OCC)c2)cc1 2323840681 KSLWYIXRAAKBKH-UHFFFAOYSA-N 449.341 4.904 30 10 IJEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 2324339113 FJVDYRBEVPZKLV-SFHVURJKSA-N 435.461 4.625 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)c3ccc(NC(C)=O)cc3)ccc2C1=O 2325234912 CPUXIPYTKZCSBG-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2325575240 XEFCJIZLHNQBHZ-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1cccc(C)c1 2325893349 VSRJBDYNSSJOEJ-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1Cl 2326772629 CZVQZQGVYZSIMY-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE Cc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327863657 WTYXGDUDUPRVTM-OAQYLSRUSA-N 447.608 4.875 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329761593 YXBBBFKCXUEFIQ-UHFFFAOYSA-N 434.924 4.760 30 10 IJEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(O)cc1O 2330172960 PIVOPOMHCOASAV-UHFFFAOYSA-N 444.560 4.957 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2330303661 WXZVXRISSJOCAN-UHFFFAOYSA-N 434.993 4.982 30 10 IJEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2330854695 JBLXKNQUZDXDIV-UHFFFAOYSA-N 439.541 4.958 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2C)c1 2330887207 OXGVYOOOUQSKDH-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330952045 SYFGDENKAMUUEQ-OAQYLSRUSA-N 448.548 4.899 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C2CCCC2)cc1 2331079273 GVYARIWICAIABC-UHFFFAOYSA-N 439.629 4.921 30 10 IJEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331129716 PBXDNQRATQYUBQ-UHFFFAOYSA-N 436.459 4.879 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C2CC2)cc1 2331729112 WBAYVEIKAXJZKY-UHFFFAOYSA-N 449.580 4.730 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cnccn1 2331882824 GKYDXGLJLIUWHZ-UHFFFAOYSA-N 438.867 4.653 30 10 IJEE C[C@H]1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339543123 MLFMCVFSNHMANV-SFHVURJKSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339588639 LQQFNNMXCAMIBS-JKIKYLSZSA-N 443.397 4.928 30 10 IJEE CCCC1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339601634 ZBQVHIYGWZIAAU-WYMLVPIESA-N 444.381 4.895 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CC[C@H]4CC[C@@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365049053 SPHYDXRMPGCOLW-RPWUZVMVSA-N 445.416 4.970 30 10 IJEE Cc1cc(CNC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369618292 JFNUJSYDYJQAQM-VXKWHMMOSA-N 448.460 4.540 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)C34CC5CC(CC(C5)C3)C4)nc12 12289435 MCSIXTQTFLUWHA-UHFFFAOYSA-N 441.535 4.764 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)SC1=S 33316918 YYHVNVLKKUTGJK-UYRXBGFRSA-N 425.531 4.610 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 33382754 KFKQRGIVANLIHL-JOCHJYFZSA-N 428.419 4.745 30 10 IJEE Cc1cc(Br)cc2c1N(CCOc1ccc3ccccc3c1)C(=O)/C2=N\O 39854039 ZXTSLGSQFFHRLW-NMWGTECJSA-N 425.282 4.515 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 63250595 TVSVQLOMUSOHDP-UHFFFAOYSA-N 436.537 4.524 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 63400874 LSGMCDGJCTWXCU-CQSZACIVSA-N 448.317 4.825 30 10 IJEE COc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc12 65114711 HTDXBOLPDIGUTF-UHFFFAOYSA-N 433.464 4.722 30 10 IJEE COc1cc(/C=C/C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)ccc1OCC#N 107672821 ZPQRCJHVOIAVIG-ONNFQVAWSA-N 437.496 4.748 30 10 IJEE CCn1c(C)c(/C=N\Nc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)c2ccccc21 169895333 ORKRZMJRSIGPGN-MXAYSNPKSA-N 435.915 4.624 30 10 IJEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3F)c(OC)c2)C2=C1CCCC2=O 169933114 GVTXTVOCQUJLLN-QHCPKHFHSA-N 440.540 4.672 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(N(C)C)cc2)c1 169953160 NFWDHMINTVUDJZ-OAQYLSRUSA-N 447.560 4.917 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(O)cc2)cc1 169959496 FKHCSVXDPHNQSP-DEOSSOPVSA-N 441.483 4.672 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169965347 QLYMBSSPDINWBJ-HXUWFJFHSA-N 445.862 4.705 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccs2)cc1 169982613 LZNDVHWHFSRXCX-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12 170046547 QURAJGXQRSLDRG-JOCHJYFZSA-N 434.923 4.633 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170054607 XVVFEIBUCPWBEM-RUZDIDTESA-N 427.500 4.793 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(F)cc2)c1 170060792 JOYUWUVBDMOLKX-XMMPIXPASA-N 431.463 4.936 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2F)cc1 170071541 IDMOUPXNQXKYFT-XMMPIXPASA-N 426.447 4.799 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC)c1OC 170127397 AAMWQXZNIVQWKG-QFIPXVFZSA-N 431.488 4.845 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)c1 170145278 HZFJEECQBOLNTQ-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170212430 FCRSXUZLUIZCOV-JOCHJYFZSA-N 428.419 4.745 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)cc1 170283439 IRIYPGWFMCXLFO-WNSKOXEYSA-N 429.472 4.948 30 10 IJEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1Cl 170292033 VKZKSNFLXARCDX-QGZVFWFLSA-N 448.258 4.967 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCN(C)C 170318175 DFVRLIMEFSEFQQ-NRFANRHFSA-N 434.561 4.740 30 10 IJEE Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccc(N(C)C)cc3)sc2c1 170447102 IXYWAKYUKDMAJJ-FQEVSTJZSA-N 435.549 4.796 30 10 IJEE CCc1ccccc1NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc21 254555475 SKRRCVMIUZZGCR-UHFFFAOYSA-N 432.524 4.626 30 10 IJEE COc1cc(C=NO[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(F)F 254754566 MNBSUWZUUSNABE-JTQLQIEISA-N 433.238 4.981 30 10 IJEE COc1ccc(C=Nn2c(COc3ccccc3)n[nH]c2=S)cc1OCc1ccccc1 254817548 YACUODKVHXYIES-UHFFFAOYSA-N 446.532 4.989 30 10 IJEE N#CC1CCC(CNC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 441008084 IOOUBYXDMPGEJP-OCJFHSIUSA-N 439.943 4.830 30 10 IJEE N#CC1CCC(CNC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)CC1 441054192 XOQVDKCXELDZKI-UHFFFAOYSA-N 427.552 4.728 30 10 IJEE C=CCNC(=O)Cc1noc(-c2cc(-c3ccccc3)nc3cc(Br)ccc23)n1 445347271 ZQSNPCLTIWPKOA-UHFFFAOYSA-N 449.308 4.559 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1O[C@H](C)COC 470521635 NDXZERVTOGMDTD-OAHLLOKOSA-N 433.892 4.882 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)cc(OC)c1OC 474263569 DHACIBCWDOSZFF-UHFFFAOYSA-N 448.441 4.526 30 10 IJEE N#Cc1ccc(NCC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 505436301 HSSPNVTYAASXHJ-UHFFFAOYSA-N 429.867 4.998 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2ccsc2)C1 508498913 WGDZEISWKOGHHQ-ZDUSSCGKSA-N 437.388 4.595 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CN2CCCC2)CC1 508803874 ZWODIIJLIBSABX-UHFFFAOYSA-N 432.037 4.722 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 558999548 GAKJDDFOSDLBJX-QFIPXVFZSA-N 438.959 4.707 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)c(F)c1 687812586 OFTCFCAKUNWRBX-SANMLTNESA-N 444.462 4.926 30 10 IJEE Cc1ccccc1[C@@H](C#N)C(=O)c1ccc(I)c(Br)c1 721300179 AELLSHKXOMMIBB-CYBMUJFWSA-N 440.078 4.852 30 10 IJEE N#C[C@@H]1CN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCN1C1CC1 732648949 YCGMYJHEOHQDJS-UTKZUKDTSA-N 429.948 4.511 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC#Cc1ccc(C(F)(F)F)cc1 754272775 AFQHQKSFUSLVCN-UHFFFAOYSA-N 434.531 4.655 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@](C)(C#N)CC(C)C)c1 757967222 ZIGDQWFBZSQHLP-JOCHJYFZSA-N 447.988 4.613 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1c(Cl)cccc1[N+](=O)[O-] 758124548 NKRNIVOGGOETOO-UHFFFAOYSA-N 436.781 4.955 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=S)NCCSC)=C(/O)c2ccc(C#N)cc2)cc1 762438911 KVCMFQIZMLVFOI-UHFFFAOYSA-O 426.631 4.913 30 10 IJEE N#Cc1ccc(NN=C2C(=O)Nc3c(Cl)cc(Br)cc32)c(C(F)(F)F)c1 799491066 AVQPMNIKTWOJEA-UHFFFAOYSA-N 443.610 4.761 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)SC1=Nc1ccc(OC)c(Cl)c1 1084086398 OLGNQBYGGBQACS-IBGZPJMESA-N 445.972 4.946 30 10 IJEE CC(=NNc1nc(SCCCCOC(=O)c2ccccc2)n[nH]1)c1ccc(F)cc1 1084391466 WUHDIYUPOXFACY-UHFFFAOYSA-N 427.505 4.509 30 10 IJEE Cc1ccc(-c2nc(SCC(=O)c3ccc(Br)cc3)nc(O)c2C#N)cc1 1088734458 BZZXQDIBWMUPRG-UHFFFAOYSA-N 440.322 4.767 30 10 IJEE C=CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1124328863 OGZFFCCRKFUARA-UHFFFAOYSA-N 440.609 4.871 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1Br)c1ccc(Cl)cc1F 1129738814 LNFZNVGTFCHUJJ-QGZVFWFLSA-N 432.680 4.532 30 10 IJEE CN(C(=O)c1cccc(SCC#N)c1)c1nccc(-c2sccc2Br)n1 1130436161 HMHSLTMUQXJYHY-UHFFFAOYSA-N 445.367 4.860 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)[C@@]23CCCC[C@H]2C3)nnc1-c1ccc(Cl)cc1 1132374431 TZGHOCYQAQNNCG-ZWWNWMABSA-N 431.005 4.962 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 1142075566 JCBAMEASDSVFCK-JOCHJYFZSA-N 434.561 4.713 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)CCCN1C(=O)OC(C)(C)C 1155683904 ARIIDXMFOYUYPD-OSPHWJPCSA-N 445.629 4.684 30 10 IJEE Cc1ccc([C@@](O)(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)C(F)(F)F)o1 1162667788 HRLZAFRZPWJTNG-XIKOKIGWSA-N 448.363 4.688 30 10 IJEE C=CCn1c(SCc2csnn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1164534016 BDAIRMZPFBYOJG-UHFFFAOYSA-N 430.555 4.902 30 10 IJEE C=CCC1(NC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CCOCC1 1203646981 UQXWOZOEUIJTDM-IBGZPJMESA-N 436.478 4.517 30 10 IJEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccc(C(C)C)cc1 1209717077 PVPSILBTHQXECS-FQEVSTJZSA-N 448.382 4.720 30 10 IJEE CC(C)[C@@](C)(NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Br)cc1 1211512447 IFMLNLXUPZOFHZ-GOSISDBHSA-N 441.778 4.824 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC)c1ccc(F)c(F)c1 1215486465 OLIWJMOAWZMLBJ-HSZRJFAPSA-N 444.526 4.554 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 1219149055 SKMAEYXUVUSKNH-QGZVFWFLSA-N 429.483 4.620 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1225867493 HLZXNAVNFKMIBF-HXUWFJFHSA-N 448.405 4.641 30 10 IJEE C=CCn1cc(CNC(=O)N(CC)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)nn1 1230272135 QARQIMPNYZKENJ-UHFFFAOYSA-N 447.583 4.700 30 10 IJEE C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1233981016 BPVCQXHZEUMCOU-PISWEHOVSA-N 426.520 4.901 30 10 IJEE N#Cc1ccc(OCC(=O)N(Cc2ccsc2)c2ccccc2)cc1Br 1264888246 HBROOPZUEJMPDV-UHFFFAOYSA-N 427.323 4.994 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 1265265572 HPYUCUUNOBIYEK-UHFFFAOYSA-N 439.494 4.546 30 10 IJEE COc1cccc([C@H](NC(=O)c2cc3ccccc3n2CC#N)c2cc(F)ccc2OC)c1 1265780375 CEUDOUSRWYDLNB-VWLOTQADSA-N 443.478 4.841 30 10 IJEE N#Cc1cc(NC(=O)Cc2ccc(Br)cc2Cl)ccc1Br 1274484433 GHGZUSNOANQWRW-UHFFFAOYSA-N 428.511 4.918 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCCS1 1286378988 BDLJRHQSDCBBRM-IBGZPJMESA-N 433.021 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1286444348 WBNLOJJQJGUNRI-FQRUVTKNSA-N 446.599 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCc1ccccc1C(F)(F)F 1286519525 GDKOSLZQULQHBR-JOCHJYFZSA-N 427.474 4.537 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC=C(COC)CC1 1286532933 AWCABFWPOUZJKN-UHFFFAOYSA-N 445.405 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOCC 1286548785 BTAOSUMOWLFDFB-UGKGYDQZSA-N 444.645 4.729 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(C)(OC)C1 1286600694 PLHCAFZTAICGOX-SFHVURJKSA-N 448.995 4.506 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N(C)c2ccccc2)CC1 1286650961 NDHDEGNBKSQWMK-MDNUFGMLSA-N 437.632 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC2(CC2)C1 1286668405 RCDLNMHHFMEZTJ-UHFFFAOYSA-N 440.588 4.954 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1 1286671790 ZKNURANCLJNSRA-SFHVURJKSA-N 449.665 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1286676580 OHBCOSWZTYWGRH-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC)[C@H](C)C1 1286704691 YQRZRRNCIOAETJ-HXUWFJFHSA-N 425.621 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cccc(OCC)c1 1286748447 VDJKHXYYAQOMHX-UHFFFAOYSA-N 433.581 4.985 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286777394 XYIJRFNLIOIXQJ-OAQYLSRUSA-N 439.387 4.991 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(C)cs2)cc1 1286794936 STRZPCAGISJBEL-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1286836399 MIUCANGBOAOHDL-FDDCHVKYSA-N 449.665 4.896 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN[C@H](c3ccc(CC)cc3)C2)s1 1297009291 FVVLMZITSHFMKT-SFHVURJKSA-N 436.046 4.574 30 10 IJEE C#C[C@H](NC(=O)CN(CC)C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1299868919 BZDCJHLUQTTWAI-SANMLTNESA-N 438.527 4.748 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCCCC1 1300283589 NOYSNUGNEAHMKC-IBGZPJMESA-N 425.646 4.609 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(C(F)(F)F)c1 1300444126 RLANQCOKIDMUSM-UHFFFAOYSA-N 427.474 4.774 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301028879 CVEQLJWCSSGTLB-HXUWFJFHSA-N 448.995 4.745 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)c2nccs2)CC1 1301135316 IYCJLTPMXKFLEO-BHIYHBOVSA-N 429.634 4.859 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1301146250 XSYRFOIPSOAFAI-UHFFFAOYSA-N 438.963 4.671 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301177916 AGUROIQNSFMULN-IXFSTUDKSA-N 430.980 4.728 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1c1nncn1C 1301209573 YRWPRYGZJZUJLK-KRWDZBQOSA-N 432.359 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1301280806 WEBONDVYKOVQEG-HXUWFJFHSA-N 425.577 4.529 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(OC2CCCC2)nc1 1301299486 LYYWPNABZVXDKY-UHFFFAOYSA-N 439.510 4.534 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCN(C)C1CCCC1 1301375738 SCBCFFGJGMERRA-UHFFFAOYSA-N 444.421 4.760 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@](C)(C#N)C1 1301528751 DTARHSYGOJJDBD-XMMPIXPASA-N 448.958 4.737 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)ccc1Cl 1307503047 BYVPLCHJDKLDGV-XMMPIXPASA-N 439.987 4.657 30 10 IJEE Cc1ccccc1N=C1S[C@@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1csc(O)n1 1352314071 DZWQOGOZKNPUSU-QGZVFWFLSA-N 440.506 4.683 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)nn1 1354953848 YRGYUOWDYHKZMJ-UHFFFAOYSA-N 447.392 4.517 30 10 IJEE CC(C)c1ccc([C@@H](CNC(=O)c2ccc(C#N)cn2)N2CCc3sccc3C2)cc1 1355410862 CEPZLDBGRSLYMR-HSZRJFAPSA-N 430.577 4.668 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)cc(OC)c1OC 1358049659 XNDXDTBSVQVZPO-CVDCTZTESA-N 444.369 4.789 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1coc(-c2ccc(C)cc2)n1 1358899457 NOHPGKLEXXVHCZ-VLCRHTCISA-N 447.583 4.666 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1358916713 USICDLGKMLQZEY-NRFANRHFSA-N 428.527 4.841 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCC[C@@H](COC)C1 1358934273 VQYCCIPBBVTPSS-JOCHJYFZSA-N 438.616 4.955 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H](SC)C(C)(C)C 1358938405 AHKHJXZXHOLJRT-FXAWDEMLSA-N 430.618 4.664 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1359056149 ZGDRHXHJRZRNMJ-UHFFFAOYSA-N 442.604 4.602 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359101297 MTTHOLDIGBXDPU-FTJYFCJYSA-N 445.007 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](CCC)OC 1359116536 OZRBGIPFAPSFAK-OALUTQOASA-N 435.613 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCCN2CCC)CC1 1359160890 ILVYNPDJKRVDBA-HXUWFJFHSA-N 445.558 4.967 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(Cc2ccsc2)CC1 1359204284 KKMIFEGGPKYFHR-UHFFFAOYSA-N 435.641 4.917 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](CC)C1 1359223358 IYOUPRAGPDBQER-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1359230729 DBGVYUAIIMGCHN-OALUTQOASA-N 429.584 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)c1c(C)noc1C 1359265908 OHZGCCHJERHUAW-SFHVURJKSA-N 448.571 4.734 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1nc(C(C)(C)C)cs1 1359276943 WYIQZXQILFLWMW-UHFFFAOYSA-N 448.596 4.971 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C)cc2)CC1 1359344845 KKSVVQOMNGORSZ-UHFFFAOYSA-N 425.646 4.565 30 10 IJEE COc1ccc([C@H](CO)N(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 1446934018 DCCKFDFHRYMACN-QFIPXVFZSA-N 436.895 4.818 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)C1 1458426309 BGAXBDIVXVKHEK-PMACEKPBSA-N 442.604 4.539 30 10 IJEE C=CCN(C(=O)CN(C)c1ccn(C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1459965754 YOROUXKMFFLLIF-UHFFFAOYSA-N 436.368 4.506 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 1463863848 FLLKSPOAHNXWED-HNNXBMFYSA-N 448.304 4.934 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(Br)cc1 1469270805 HRIJJENDHGQUCP-KKSFZXQISA-N 426.358 4.784 30 10 IJEE CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)S(=O)(=O)c1cncc(C#N)c1 1474973491 HFIGBHLHWHUETR-UHFFFAOYSA-N 449.576 4.668 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OC)c(-c2ccccc2)c1)c1ccc(Cl)cc1F 1475287223 QULKHOCTEFXMCK-NRFANRHFSA-N 429.900 4.808 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)OC)c(F)cc1Br 1476197337 AGXCGSXXDUJJGZ-AWEZNQCLSA-N 435.293 4.684 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC1(c2ccc(OC)c(OC)c2)CCCCC1 1476224156 USMNCUJCAOWQAR-UHFFFAOYSA-N 440.515 4.879 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccccc1O[C@@H]1CCOC1 1476728829 LVUHTVIUBNQJCJ-OAHLLOKOSA-N 433.302 4.826 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc(OC)c1OC 1477658123 OYYHUPDNXWRMJO-UHFFFAOYSA-N 444.400 4.729 30 10 IJEE C[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1494548354 FCGAXBFKDKZUGU-OXQOHEQNSA-N 447.505 4.658 30 10 IJEE CCCN1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1501040254 GQIKFFMEDOJORJ-NNWRFLSQSA-N 438.620 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1c(C)noc1C 1507516492 CKSAPVXEGCRCNZ-QGZVFWFLSA-N 442.567 4.658 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1cccnc1)C(C)C 1507663411 ZFRLGCLXXWNLOH-QHCPKHFHSA-N 437.547 4.989 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1OCCC1(C)C 1507703179 RDPUNCGXUQUERM-NRFANRHFSA-N 438.572 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCCC[C@H]1C 1507770683 WMMBHVIESXORIG-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1507791551 ZRHJMIXZOSJMFU-ROUUACIJSA-N 431.378 4.617 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C)(C#N)CC1 1507793071 BZJPMJRLQCROQK-FXAWDEMLSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)CC 1507794327 HKLHXBIBXUARAP-VQIMIIECSA-N 449.393 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1 1507799293 IZWWOMWEYPESDO-JXFKEZNVSA-N 448.489 4.634 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1507845453 GMXIUYWOUFJLDY-MRXNPFEDSA-N 439.025 4.752 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1507879177 RSEQWUSSCGVMED-QFIPXVFZSA-N 444.366 4.711 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@H]2CCCO2)CC1 1507900846 XEPUMQUXPARPHH-OAQYLSRUSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507911623 NPXUDHNEKCBEGD-GOSISDBHSA-N 446.661 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507922834 HNOGOCQXHADATH-QFIPXVFZSA-N 433.604 4.521 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1507925451 CPORUCLOJFYIBP-UHFFFAOYSA-N 433.556 4.602 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507926505 TVORZHAIOLKKDT-FQEVSTJZSA-N 442.007 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccnc(SC)c1 1507972598 JGEPGMSMJIORFG-HNNXBMFYSA-N 425.627 4.919 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(C)sc(C)c1Br)C1CC1 1507993435 FALKAUCNYAAHSI-UHFFFAOYSA-N 432.391 4.917 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCN1CC 1508015017 IBLUGHRZFVFCEF-OAQYLSRUSA-N 430.600 4.855 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC12CCC(CC1)C2 1508038486 QOESUOJCXBVDON-UHFFFAOYSA-N 430.980 4.826 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cncc3nc(C(F)(F)F)n(C)c23)C(C)(C)C)cc1 1517425474 RDSMXTXWNUUUIJ-UHFFFAOYSA-N 446.473 4.993 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)CSc2ccccc2)c(C(=O)OCC)c1C 1524507712 BQNYBFZZBOCOEY-CQSZACIVSA-N 447.578 4.943 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1Br 1526733327 CHEMOPWMRFFKOO-UHFFFAOYSA-N 449.610 4.890 30 10 IJEE C=CC(C)(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 1530753528 IPASBFRNJWAQOO-UHFFFAOYSA-N 447.645 4.782 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCc1ccccc1 1539246212 QCLMKCNSKYZXOJ-UHFFFAOYSA-N 444.604 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)c1cccs1 1539288959 JJGQVRGHYCNEKH-UHFFFAOYSA-N 432.593 4.586 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@@H](C)C1 1539344744 IVQGGDJAELDJEI-PKOBYXMFSA-N 435.597 4.652 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(CCOC)CC1CC1 1539690944 CIHAXERZYGSUOP-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1539733898 SUNVRZKKMMNWAG-UHFFFAOYSA-N 439.654 4.839 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1539916799 NYSMFUDEWHFUFZ-HXUWFJFHSA-N 440.588 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1539920834 LWYAXNGLHBKFKE-UHFFFAOYSA-N 438.551 4.686 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCS1 1539945373 NNWXNXSOZNTTAI-NQIIRXRSSA-N 428.602 4.869 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)C)C1 1540029107 LSMVFOGFYFVXNP-LJQANCHMSA-N 439.387 4.706 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCC(C)CC1 1540089363 YPTJQXGYHQFFMF-UHFFFAOYSA-N 438.403 4.518 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)C1 1540089927 OSLBNGBADHKJSW-QGZVFWFLSA-N 432.520 4.966 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1scnc1C)C1CC1 1540094215 DOXXUXAKJWTYBT-MRXNPFEDSA-N 427.549 4.720 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)cn2C)n1CCC 1540120172 PFGXZINUMYWGOU-UHFFFAOYSA-N 444.377 4.657 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1 1540133066 BEGNGWBYQYFILD-VQTJNVASSA-N 435.547 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CC(F)(F)CO1 1540158160 BACSNLJNZTTXJY-CQSZACIVSA-N 429.298 4.855 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 1540192208 XJCQLPFNYMQDBE-UHFFFAOYSA-N 429.977 4.620 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1540857756 PNUGYGBAAIEERS-VWLOTQADSA-N 441.620 4.905 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)C[C@H]1C 1544457719 HCQGCZGQESQRQQ-VQTJNVASSA-N 444.583 4.584 30 10 IJEE CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCC(C)(C)C)CC2)CC1 1546931069 IDTFEPQLEFWZPN-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE CCN1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CCC(C)C 1547673867 GOSDPTYBXAAVLM-IBGZPJMESA-N 429.012 4.849 30 10 IJEE COC1(CCn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@H](C)CC#N)CCC1 1554707074 GGNYIYZBGQPEAY-IAGOWNOFSA-N 427.618 4.829 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 1556476296 UQKOEOOPSQGDTI-PMACEKPBSA-N 429.948 4.632 30 10 IJEE Cc1ccc(NC(=O)NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1C 1559339222 AKTGIRYVNGXLCB-UHFFFAOYSA-N 446.532 4.759 30 10 IJEE CC(C)n1cnnc1CN(C)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1562989550 GCXSWRCIISCLOT-UHFFFAOYSA-N 441.351 4.812 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(Cl)cc1 1564997893 QBHMSLWPNPETTQ-YLJYHZDGSA-N 438.890 4.793 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](C)F 1569838862 CSKVNJQLCOCFQO-KSFYIVLOSA-N 444.934 4.901 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cn(-c2ccccc2)nn1 1584709010 AMXXMVZGFCVBPB-UHFFFAOYSA-N 432.299 4.809 30 10 IJEE COC(=O)c1cnc([C@@H](C)NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1 1585545803 ANIIBESZGDFYQW-GFCCVEGCSA-N 441.896 4.738 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCOCC)[C@@H]1CCc2ccccc21 1587276486 AHQHVAQQCLDEDG-WOJBJXKFSA-N 436.980 4.575 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1589316470 CCIRIGRLQOGYBT-MRXNPFEDSA-N 447.333 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(NC(C)=O)cc1 1589614713 CYRSCWAQLQYUDZ-UHFFFAOYSA-N 438.963 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](OC)C1CC1 1589625318 AZSVKQPCACOXEM-LJQANCHMSA-N 449.393 4.544 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1ncc(CC)s1 1593600644 XVUPEVGELAZGOS-UHFFFAOYSA-N 441.601 4.972 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(F)(F)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1594552784 SMEMLLABKNGKED-NFBKMPQASA-N 446.542 4.524 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1594709146 JXXSHLISSBUHML-HXUWFJFHSA-N 427.911 4.677 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCO[C@H]2C(C)C)C1 1595700075 KJYMZEFRDGOHST-BLIXFSHQSA-N 448.970 4.580 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)c1 1596871524 SUGFBYFCZQQRFJ-UHFFFAOYSA-N 437.421 4.799 30 10 IJEE C#C[C@H](NC(=O)c1c(Br)sc(C)c1C)c1ccc(Br)cc1 1596985881 XDLKLBKESQXECM-ZDUSSCGKSA-N 427.161 4.994 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)cc1 1611534886 ABIHDVIBOQWPET-UHFFFAOYSA-N 432.499 4.768 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1612662031 BVDLIOSEKWPZCR-VSKRKVRLSA-N 436.648 4.558 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@](C)(C#N)C1)OC 1613129885 AOORDMBDJFEQPU-BTCOZLQPSA-N 447.530 4.738 30 10 IJEE C=CCCSCCNC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 1616881910 VPKWEXOXJZSDOZ-UHFFFAOYSA-N 447.398 4.669 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1617227051 IBELCZQTWXMGCZ-CPJSRVTESA-N 433.508 4.936 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC[C@@]2(c3ccccc3)CC2(C)C)nnc1-c1ccco1 1618506804 IRSRBJPPYQVDHX-XMMPIXPASA-N 436.581 4.690 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cscc1C 1620267716 BIVWNOYFURUQOO-KRWDZBQOSA-N 441.626 4.725 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1OCC 1620981187 GYGRZIJQCRNCDJ-UYAOXDASSA-N 447.373 4.818 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(F)c(C)c1N)c1ccc2c(c1)OCCO2 1628564980 BMRSDSHIKSIVIY-UHFFFAOYSA-N 448.494 4.899 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(Cc2cccc(OC)c2)CC1 1632153078 JFOQAIKAZUBKIN-UHFFFAOYSA-N 431.536 4.541 30 10 IJEE C=CCN(C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1)c1ccccc1 1637063963 DNZOHPQPJQZCEJ-KDURUIRLSA-N 448.592 4.555 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=[S@](=O)(CC)c1cccc(Cl)c1 1637323700 YHWUPVZMRPRXPT-QZXCRCNTSA-N 435.373 4.749 30 10 IJEE Cc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1NC(=O)OC(C)(C)C 1639555641 ARABUNGIEUERPR-UHFFFAOYSA-N 448.567 4.608 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 1640959372 PONZSERBJHSKLU-MRXNPFEDSA-N 443.371 4.833 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(C#N)CC1(C)C 1641778823 LHFYCRNXJHHFAT-YIXXDRMTSA-N 443.547 4.668 30 10 IJEE CCn1c(CSc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)nc2c(F)cccc21 1643495011 IRXHZAPMJHLVHG-UHFFFAOYSA-N 435.484 4.530 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3Cl)C2(C)C)c1 1644482305 UUPYHRGINCHZCH-HXUWFJFHSA-N 429.969 4.545 30 10 IJEE CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NCc1cc(C#N)ccc1Br 1650854208 CJVAWUCMOLARAT-KZULUSFZSA-N 438.163 4.949 30 10 IJEE CCc1ccc(OCc2nnc(Sc3ccnc(C#N)n3)n2[C@@H](C)c2ccccc2)cc1 1651334948 BSRSRKNPVOTOSK-KRWDZBQOSA-N 442.548 4.842 30 10 IJEE Cc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1C#N 1653804687 HEUMHKZZAUAQAE-TVTNDZMWSA-N 440.565 4.611 30 10 IJEE C#CCN(Cc1c[nH]nc1-c1ccsc1)[C@@H]1CCOc2ccc(Br)cc21 1657513788 NAESUVYWSNQUFN-GOSISDBHSA-N 428.355 4.860 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 1668996716 UZQNROWFYOJERY-MHZLTWQESA-N 444.506 4.706 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(I)cc1Cl 1672029635 HLVMBSKPQNZRGX-MLGOLLRUSA-N 432.733 4.879 30 10 IJEE C=CC(C)(C)CNC(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1672782512 QCQYFPURXDNNQR-UVTDQMKNSA-N 442.368 4.541 30 10 IJEE Cc1nc(C(C)(C)NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)no1 1673090612 HFSWJNJRTOVLBL-UHFFFAOYSA-N 428.308 4.724 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Br)cc1 1677381306 VFONWWBAKLEBEF-HLAWJBBLSA-N 427.342 4.591 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 1680961254 HZIANJIMOPDJRA-PXNSSMCTSA-N 445.523 4.715 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1683689798 SVUKMOPLPYGATM-NQIIRXRSSA-N 442.922 4.539 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCN(Cc1ccccc1)c1ccccn1)c1ccc(F)c(F)c1 1686173239 DTPUBLQEXBEICV-XMMPIXPASA-N 436.506 4.983 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1689865416 UJEHDTZUOUYIEF-DBXWQHBBSA-N 442.579 4.684 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](COC)C1 1689901661 NVRDFIQWVNUBHS-NRFANRHFSA-N 438.616 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ncccc1C 1690193608 NSSSJDIQDAUOTH-MHECFPHRSA-N 435.959 4.815 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccccc1)N(CC)CC 1690198334 KSBUIYWHTIHWFA-BKMJKUGQSA-N 431.584 4.922 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC1(C)C 1690220895 DMZULQQMGKKVML-UHFFFAOYSA-N 427.350 4.623 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H]1C 1690238210 GVCDHUGGTQQGMB-AWWSKVOZSA-N 440.588 4.787 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1690396712 KGTKBBDNNSMIOV-DENIHFKCSA-N 441.595 4.834 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC=C(COC)CC1 1690474157 UHSSORWVFAZRBV-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1690500104 LFUGYZXKMSGQEK-NLWGTHIKSA-N 444.645 4.728 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1Cc1ccc(C)s1 1690555949 IWVIRDUQTDYUNQ-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1c(CC)nn(C)c1CC 1690560009 NCGIMEUKRLWDJQ-UHFFFAOYSA-N 443.599 4.516 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1nnc(C(C)(C)C)s1 1690563377 PGJJBRPXJREZMZ-UHFFFAOYSA-N 445.596 4.730 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690629366 UBUXZEQLEYFLMC-TZIWHRDSSA-N 439.604 4.699 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)C1 1690692274 VMNXUODOLUEVJL-FPOVZHCZSA-N 441.526 4.814 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1690737799 XVUXGKYJFYHZGF-MSOLQXFVSA-N 430.618 4.754 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CC2)n1Cc1nc2cccc(Cl)c2n1C 1692346411 DHXRGOICYQYOKD-UHFFFAOYSA-N 425.968 4.510 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2CC(OC(C)(C)C)C2)cc1 1694549016 FXOFMFFKPVIKKP-AJPKXHFHSA-N 439.579 4.933 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705604326 KDRXJXSNVMERDS-CNNODRBYSA-N 442.579 4.858 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc([C@H](C)O)cc1 1705607266 XMINQLXCJJQIQQ-MSOLQXFVSA-N 434.609 4.693 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)Cc1csc(Br)c1 1705660604 ZMQZQTICKHMPBJ-UHFFFAOYSA-N 439.448 4.763 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCO1 1705759242 KLRWTAKPMZUKSI-CQSZACIVSA-N 431.751 4.532 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC[C@H]2CCOC2)CC1 1705766143 OMQDUWZQGCGFTE-FQEVSTJZSA-N 440.588 4.716 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1705813267 BLDAQNAEJSJPQW-MAUKXSAKSA-N 429.977 4.988 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCN1CCC[C@H](C)C1)C1CC1 1705851249 ZLEKFHIMHFMWQU-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@H](c1ccco1)N1CCCC1 1705858570 YMDLRGQBTCLMKW-QHCPKHFHSA-N 444.583 4.896 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCSC1(C)C 1705871729 VLHJIIKEHXHILK-QGZVFWFLSA-N 428.602 4.672 30 10 IJEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1708036669 DDAJWKWELPCSMY-OPAMFIHVSA-N 447.505 4.537 30 10 IJEE COCc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)SC)o1 1712209360 CCXWXJWNWIHWKT-OXQOHEQNSA-N 437.569 4.649 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)c1ccccn1 1722281893 ZRZSVRIXGLZXPY-FPOVZHCZSA-N 431.584 4.866 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1722462546 WAINFGRRQHJGFG-WIYYLYMNSA-N 426.630 4.829 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCCN1CCCC[C@H]1C 1722472130 DDAXZWVNBWLMHT-AJTFRIOCSA-N 449.643 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC(F)F 1722493007 VQUJUDHKBHJXRE-FTRWYGJKSA-N 438.494 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1Cc1ccnc(OC(F)F)c1 1722513827 KOBSCHOMNAMDJD-UHFFFAOYSA-N 427.499 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1C(F)(F)F 1722515827 QHLXSQZQTFNVJB-UHFFFAOYSA-N 446.521 4.804 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1722560847 FJKGWBULIXSQOE-KRWDZBQOSA-N 429.565 4.506 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Sc2ccccc2)CC1 1722567351 VJBJCPMBOSCHPK-QGZVFWFLSA-N 425.627 4.971 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCC2CC2)CC1 1722609645 GFTXJYHJZFJZGL-FGZHOGPDSA-N 430.637 4.948 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C(=O)NCC)c1 1722636093 XVOWQYOMLXVJKA-KRWDZBQOSA-N 449.624 4.552 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C 1722666652 RIYHBAYIZVWESD-VJTSUQJLSA-N 444.627 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(C#N)o1 1722668658 VXXJNXFHUSCCKF-UHFFFAOYSA-N 438.329 4.707 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(F)(F)F)cs1 1722668719 YDKLWTKWQGRCMZ-UHFFFAOYSA-N 444.486 4.713 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](OCCC)CC2)cc1 1722706339 RIZKMZGRRMWKEF-NRFANRHFSA-N 435.572 4.672 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nc(C)c(C)s2)C1 1722718118 PDXPRCYCFVMFLG-MRXNPFEDSA-N 447.967 4.641 30 10 IJEE CCN(CC(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1(c2ccccn2)CCC1 1728340855 GCNGKADYPFVCRX-UHFFFAOYSA-N 444.583 4.728 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccnc(SC)c1 1740558489 VZFLOTVMDGNEFW-GOSISDBHSA-N 449.624 4.778 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CC[C@@H](C)C2)c1 1740564806 YFWDFAQUPYOFOO-DENIHFKCSA-N 433.600 4.503 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1740575258 PXJPKFRLBGCIFT-UHFFFAOYSA-N 445.464 4.862 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCCC(F)(F)C1 1740643714 RRMRTFUGRVHMIJ-IBGZPJMESA-N 435.522 4.639 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCCS1 1740644108 TUQSCTASDJGFSD-VWLOTQADSA-N 436.625 4.513 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1740714482 ZUGOUJWTTXHXNU-NQIIRXRSSA-N 438.622 4.648 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1740736230 GXQBEMMHJAJTJN-UHFFFAOYSA-N 425.396 4.677 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC(F)F 1740753272 HMTNSMHWTIKDRI-CRAIPNDOSA-N 442.457 4.619 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)C1CCC1 1740755775 LWQOOKCOWAIGEM-DNVCBOLYSA-N 431.378 4.678 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1740814282 QGRBZJJWLYURDW-UHFFFAOYSA-N 429.933 4.760 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCCN2CCCC)CC1 1740829198 NYAPKWXYPICHHN-QFIPXVFZSA-N 441.595 4.807 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740840720 JYQNDLGMOUYEBZ-IBGZPJMESA-N 445.652 4.916 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](OCC)C1 1741000926 YALHYKPQRKAGQC-LJQANCHMSA-N 439.585 4.525 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cc1 1741124952 HLZMZTJBXPBZBI-LBPRGKRZSA-N 434.338 4.552 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1744886153 CJSFXZXKNWFDFM-KOUHRCEDSA-N 439.629 4.885 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC[C@@H](COC)C1 1748706692 QEFUBPAZNPPNLU-GOSISDBHSA-N 430.980 4.664 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCO[C@@H]1CCCC[C@@H]1C 1748918862 RZWUPDMYJLNYHL-FXAWDEMLSA-N 445.405 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cnn(C)c1 1749147151 BEANGAFTGOFOPK-UHFFFAOYSA-N 433.585 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCCN1CCCC1 1749150150 NCANCFRZEJBPMP-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(F)(F)Br)CC1 1749296792 UWPDMRCIQBXVIP-UHFFFAOYSA-N 434.288 4.637 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2cccc(C)n2)CC1 1749331741 WDFJXVOYAAFPAL-UHFFFAOYSA-N 432.528 4.592 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](CC(C)C)N(C)C)CC1 1749335077 NKRWVTDLFAYWDH-HXUWFJFHSA-N 446.039 4.986 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C(CC)CC)N(C)C)CC1 1749347646 RKOMQUJOTSLEON-DNVJHFABSA-N 445.696 4.966 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C1CCCCC1 1749445865 ZZBCHLOWBWWDOL-UHFFFAOYSA-N 436.398 4.787 30 10 IJEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCCCCC1 1749461975 ZSLNYLPYRWMXMZ-UHFFFAOYSA-N 449.393 4.593 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccsc1)C1CC1 1749511753 MZEUATZOKKJBRZ-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CC(C)(C)N1CCC[C@@H](C)C1 1749529254 ALILWGBYVBEOSJ-HXUWFJFHSA-N 425.621 4.552 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1CC1CCN(CC(F)(F)F)CC1 1749538724 ZQNIWTMWEBQBQA-UHFFFAOYSA-N 447.549 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1Cc1ccc(I)cc1 1749573269 BMPXLVSXZJCKAH-UHFFFAOYSA-N 448.352 4.767 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(SC)CCC2)C1 1749698269 SGQBRNZRBRRMCV-XLIONFOSSA-N 446.592 4.624 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncccc1N(C)C 1751090965 CTGHRORMFCXQIR-KRWDZBQOSA-N 449.628 4.523 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCSC1 1760122311 JDZVIFCGQLEDOG-RBUKOAKNSA-N 426.630 4.756 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1760220586 OWSJGKGMDVAJOF-AZUAARDMSA-N 432.465 4.765 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3ccccc3o2)n1CCN(C)C(=O)OC(C)(C)C 1760289158 ISQQKIUTWOAODT-RUZDIDTESA-N 449.555 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1760299226 NCLKHXPUFJHCIS-HHJKRLRDSA-N 443.636 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@@H](C)C1 1760330886 FTUXVIRUFUCIQK-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1760346672 WNBIIKJUBKWKAX-HXUWFJFHSA-N 438.620 4.789 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1760372950 BOVNCVARMHAZAR-LJQANCHMSA-N 439.947 4.760 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2COCCC)CC1 1760403400 QOCOYTHBZRXEBI-UHFFFAOYSA-N 431.584 4.641 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS[C@H](CC)C1)c1ccccc1 1760417692 HACJBBGZYFGVIP-YPAWHYETSA-N 426.630 4.864 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C 1760425694 UAQJJIZQIUGYSF-XUVXKRRUSA-N 431.625 4.984 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1noc2c1CCCC2 1760466924 NMRYDMJSDNQDDU-UHFFFAOYSA-N 435.572 4.826 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1csc(Br)c1 1760512122 FYAOYVVBVOXSCY-UHFFFAOYSA-N 447.402 4.718 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)s1 1761772114 GMUYSKBXDDYUQG-RBBKRZOGSA-N 435.597 4.884 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(F)c2)cc1C 1862401697 HEGVFEZUUYCBLR-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 1862412410 DKYWTKYPXVICBA-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Br)cc1 1862422736 LSFZFMRHSRNKQM-KRWDZBQOSA-N 436.252 4.714 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC)cc1OCC 1862437969 CSQSVKWMSRDIAS-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc3ccccc23)c1 1862560975 LCZRJSRHTLKQOZ-XMMPIXPASA-N 435.483 4.596 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(Br)c1 1862566355 UHCOREPCSMKTRZ-LJQANCHMSA-N 443.341 4.800 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1F 1862638444 BCVVDPJLMQMGHA-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862759326 OPFBPVNDRFPIRY-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE CC(C)Oc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2F)C1=O 1862922334 YNMHEVDDXUWFQU-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CC[C@@](C)(NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867754690 DHXWUXHSTOMSBH-HTAPYJJXSA-N 448.350 4.590 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868291151 JBYBCJCXWOMCEJ-UHFFFAOYSA-N 444.558 4.548 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)nc(-c2cccc(OC)c2)n1 1869320019 VRPMYRMVMKZOCX-VWLOTQADSA-N 444.583 4.814 30 10 IJEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CSCc1ccccc1 1870168488 QVSYGMWPKZJGCC-UHFFFAOYSA-N 435.545 4.590 30 10 IJEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CSc1nc2ccccc2s1 1870255563 ASTHEQAEGFGRPU-UHFFFAOYSA-N 444.578 4.514 30 10 IJEE C[C@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2F)C1 1870350466 HPCZDOBMAXYSQJ-FQEVSTJZSA-N 445.538 4.718 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CNc2ccccc2)cc1=O 1870811604 CBAUGSXOBLMYMR-VWLOTQADSA-N 429.564 4.862 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871195395 OJUAIJPTNXGYHN-UHFFFAOYSA-N 445.563 4.961 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCCOc4ccccc4F)c3C)C2=O)cc1 1871417070 LMRLDMWKVHKKJK-HAHDFKILSA-N 448.446 4.995 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871908546 DXEMFZJKBVFPRP-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871988540 MNLZPUUMFJVCLS-HTAPYJJXSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)CC)S(C)(=O)=O 1872125316 MNUHRFOWIMQZMD-MLGOLLRUSA-N 440.915 4.550 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(F)cc1 1872496957 OBWUVOLHTSAVOM-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2cccc(OC)c2)C1=O 1873041952 ZZQCXXUSQHSPSC-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE COc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1 1874293605 LDSFQHJZIDNIML-LFVJCYFKSA-N 434.521 4.676 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccco1 1874417636 LHDYRRWODJVCBZ-MFKUBSTISA-N 445.548 4.692 30 10 IJEE CCOc1c(Br)cc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1OC 1874425611 RBNFMUFOSBMGRK-CIAFOILYSA-N 447.358 4.719 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2cccs2)c(C)c1 1874463401 HOEZKCLZIAAJJH-LSFURLLWSA-N 439.488 4.588 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccc1Cl 1874479978 BYDFNUAOVBPRFM-MFKUBSTISA-N 441.988 4.565 30 10 IJEE CCOc1c(Br)cc(/C=N/n2cnnc2SCc2ccccc2)cc1OC 1874536994 HEACYZYPRKKKAE-SSDVNMTOSA-N 447.358 4.622 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2COc2ccc(C)cc2C(C)(C)C)ccc1O 1874569037 DPSQAZGUEYDROB-ZMOGYAJESA-N 440.569 4.738 30 10 IJEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1Br 1874593798 CCYDFBSXFZTAHQ-RMKNXTFCSA-N 433.298 4.936 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 1874619169 MRZYKJDRCIVKFC-FERCGXDMSA-N 445.515 4.856 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2)ccc1OC 1874700699 IIZUGXSEMSRVSB-FYWRMAATSA-N 432.472 4.974 30 10 IJEE COCCOCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1875181544 LIOSTMAVANNBHL-VOTSOKGWSA-N 446.927 4.738 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4ccc(C)cc4)[nH]n3)cc21 1890914905 GVTWMDVHYBFAKE-UHFFFAOYSA-N 430.508 4.575 30 10 IJEE O=C(CCc1ccccc1Br)NCC#CCOc1cccc(C(F)(F)F)c1 1891086449 DSTXRCKVVUCGHO-UHFFFAOYSA-N 440.259 4.599 30 10 IJEE C#CC[C@H](CN(C)C(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1901481175 AMEPOQVNLQWQGH-FQRUVTKNSA-N 444.575 4.812 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)c1ccc(F)cc1Br 1922074610 OTCVXLBQLJTQRH-VXKWHMMOSA-N 436.365 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CCO1 1922113600 SDIDZXPHUMWAGD-SLSDLSHTSA-N 432.605 4.590 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Br 1935890460 GMXGYOKTRTZYHA-CQSZACIVSA-N 448.155 4.660 30 10 IJEE N#Cc1ccc([C@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1951662851 KROAODDKMDLTNN-MRXNPFEDSA-N 430.460 4.638 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(C#N)cc1Cl 2010517218 UMAIOZLFBBQZAP-GOSISDBHSA-N 443.931 4.650 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497908 OVJIJKLFTANMGG-CVEARBPZSA-N 436.557 4.852 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 2038943567 IWMRSCNCRKWZBQ-RPWUZVMVSA-N 449.592 4.618 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(/C=N/O)c2I)cc1 2079048179 RMPUVLHRSIMBOX-RTYWOJFRSA-N 449.214 4.622 30 10 IJEE N#Cc1c(C2CC2)nn(-c2cc(Br)cc(C(F)(F)F)n2)c1Br 2080279607 CNIMULDORQDWJJ-UHFFFAOYSA-N 436.029 4.560 30 10 IJEE O=c1cc(-c2ccc(C(F)(F)F)c(F)c2)[nH]c2c(Br)c(C(F)(F)F)nn12 2081052820 FFHHONAJLLNMQS-UHFFFAOYSA-N 444.104 4.629 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 2102850918 LZYPGZHSNHXDMJ-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)c(N3CC[C@@H](OCc4ccccc4)C3)c2)OC1(C)C 2116148601 SBROTOWXXHXHGO-LJQANCHMSA-N 447.306 4.800 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2cc(Br)cnc2C#N)C1 2167615790 YFVFOHNQJAREFG-YLJYHZDGSA-N 435.366 4.697 30 10 IJEE CCCN(Cc1ccc(Br)cc1C#N)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2174559897 OJPUMIIGPYEDGQ-IBGZPJMESA-N 436.394 4.932 30 10 IJEE Cc1nc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2190478343 LFHMLKIDKAOBBI-GRSYGWAWSA-N 448.416 4.509 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1nc(C)c(Br)cc1[N+](=O)[O-] 2202047334 KEBXCLOVCRNJHS-SFHVURJKSA-N 444.326 4.547 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1CCC(NC(=O)OC(C)(C)C)CC1 2235717715 BJGRRSMAZOWJKF-QLOJAFMTSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@@H](C)C[C@H](C)CN1C(=O)OC(C)(C)C 2235728399 HGBZIZQEGZNQDX-FEHORTKBSA-N 435.406 4.670 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC=CCC1 2235732664 ZSNBRGHFGPHCDT-RLLQIKCJSA-N 433.390 4.638 30 10 IJEE CC1(C)CC[C@](O)(C#Cc2ccccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 2235739316 HGBUMNCKAQJECO-HTAPYJJXSA-N 436.390 4.883 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2235748155 XBSGTCGBOFLJLG-YQVWRLOYSA-N 435.406 4.720 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CC#N 2243925483 WQBPOYPGBVSLCZ-CLOONOSVSA-N 445.563 4.844 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2247836306 ZYGDSUARVGPORC-UHFFFAOYSA-N 427.781 4.938 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2261825323 CBHUBFUVJAVXHG-HBNMSFMJSA-N 447.572 4.512 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)cc(Br)c1F 2272722721 BBVHUWFYLGBJIV-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)C#Cc1cccc(Br)c1 2296224786 NYNHDDKSDHEASI-RTBURBONSA-N 434.374 4.899 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](N)(C#Cc2cccc(Br)c2)C12CCCC2 2296272074 HUDXVRQRPWHJCV-OAQYLSRUSA-N 433.390 4.842 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@@H](N)C#Cc1ccc(Br)cc1 2296301695 YCTYGNUTJLOHST-OALUTQOASA-N 433.390 4.698 30 10 IJEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccc(C)o3)sc2c1 2296559535 NNYABUVHNOYMJJ-LJQANCHMSA-N 434.473 4.979 30 10 IJEE CCOc1ccc(C=C(C(=O)Nc2c(C#N)cnn2-c2ccccn2)c2ccccc2)cc1 2322259953 OFMSZZPCDKDHNY-UHFFFAOYSA-N 435.487 4.717 30 10 IJEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)ccc1F 2323974876 KFGMKDHFDDLARE-UHFFFAOYSA-N 434.423 4.956 30 10 IJEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2325471288 YIGGWDFKPRQSAX-UHFFFAOYSA-N 433.460 4.929 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2325513125 HMKIDVSOHOMQQM-UHFFFAOYSA-N 440.485 4.612 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2325571967 JULHLBMJFURATF-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 2325718191 XDKKBVBEUXFCKX-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE Cc1cccc(C)c1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745682 BFKAKNUGCNJIHZ-UHFFFAOYSA-N 444.483 4.955 30 10 IJEE Cc1cccc(C=Nn2c(CCCOc3ccc4ccccc4c3)nnc2SCCO)c1 2325884832 IJYWSMKONHYDLJ-UHFFFAOYSA-N 446.576 4.718 30 10 IJEE CCCOc1ccccc1C=CC(=O)[C@@H]1C[C@H](NC(=O)CCCc2ccc(C)cc2)CCN1 2328263733 GYXGYYYSDPNNRU-RPBOFIJWSA-N 448.607 4.626 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)cc1 2328386497 FFDZCYOYHJGLHZ-UHFFFAOYSA-N 446.532 4.746 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)=O 2330643025 GULHWKSMQKATTD-UHFFFAOYSA-N 434.242 4.577 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccn1C 2331065719 SZXDEQWDAFCDKG-UHFFFAOYSA-N 436.585 4.504 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1c[nH]c2ccccc12 2331340313 YYHXXSJUTUSMEI-UHFFFAOYSA-N 438.601 4.525 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C1CCC1 2331484274 AANUBOBUSLKRQX-UHFFFAOYSA-N 447.564 4.723 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cc(Cl)ccc1O 2331678730 CYNXITBIVBMQEH-UHFFFAOYSA-N 447.923 4.513 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)CCOC 2331726211 LLQUNDZQYHUCGI-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCc1csc(C#C[C@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)n1 2338644190 INODFOHPXHSPRE-INIZCTEOSA-N 437.359 4.900 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339544111 BASVLGZOGSVLGP-PKOBYXMFSA-N 443.397 4.784 30 10 IJEE CC1(C)OB([C@H]2CCN(C(=O)c3cc(F)c(Br)cc3Cl)C2)OC1(C)C 2342473566 HRINNJMETUEXAL-JTQLQIEISA-N 432.526 4.550 30 10 IJEE COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3sccc3C#N)[C@H]2c2ccccc2)cc1 9223348 UOVZOKVQSFMPPM-RBBKRZOGSA-N 431.517 4.751 30 10 IJEE C=C(C)Cn1c(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](C)C2)cc2ccoc21 35844077 TWLYGLQVRHGMGO-MBBDBFLNSA-N 449.595 4.700 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 63394269 PRSGEKJGSQMPCS-HXUWFJFHSA-N 425.485 4.681 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccccc1C 169946168 UYLXYJAICNDTJO-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1 170055275 LRSNKFZMYJLABS-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)cc1 170060377 VYYBXCLNYXCDEN-OAQYLSRUSA-N 444.934 4.708 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1 170096197 FQOOUMUUGHXPCQ-RUZDIDTESA-N 440.499 4.901 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(C)o2)cc1 170100363 PBDATDVJRCUVEM-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103231 RTIHPESSVCQGNE-LJQANCHMSA-N 433.851 4.901 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 170113157 AAHJBFYKUVDGFM-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(OC(F)(F)F)cc4)CC3=O)n2)cc1 170179918 DEIUBZKPTUBNDO-UHFFFAOYSA-N 431.439 4.734 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3cccnc3)oc12 170185013 MYLKVPZNVHAFRZ-OAQYLSRUSA-N 444.418 4.758 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1 170202708 HYBWQVIXSHVPHV-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)c(OC)cc1Cl 170233882 GCGFGNRIDLPSCN-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(O)c1 170263992 QKTQKSYMVNJEFX-JOCHJYFZSA-N 435.476 4.532 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1cn(C)c2ccccc12 170269415 CELAWBVVGFAETD-JOCHJYFZSA-N 436.483 4.704 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)c(OC)cc1Cl 170286223 VRQWDGGMOCQHIT-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2sccc2C)cc1 170315948 YNWJQJJKKURSQE-UYAOXDASSA-N 441.549 4.603 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c1 170337229 QBOKWLJWCRNOIU-XMMPIXPASA-N 442.515 4.934 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccc(N(C)C)cc3)[nH]c2cc1C 170447280 PAFMMBKZAMBYGI-QHCPKHFHSA-N 446.551 4.761 30 10 IJEE Cn1ncc(N=Cc2ccc(COc3ccc(Cl)cc3)o2)c1C(=O)NCc1ccco1 254817515 ZAEVFYAXOOXJOT-UHFFFAOYSA-N 438.871 4.519 30 10 IJEE C=CCn1c(-c2sc(NC(=O)/C=C/c3ccnc4ccccc34)nc2C)n[nH]c1=S 303719863 WALMAHKRCPOPEE-CMDGGOBGSA-N 434.550 4.759 30 10 IJEE C=CCN(C[C@H](Cc1cc(OC)ccc1Br)NCCC)C(=O)OC(C)(C)C 407697971 UQMXJBVCUZDONF-KRWDZBQOSA-N 441.410 4.792 30 10 IJEE C=CCN(C(=O)C[C@H](C)c1ccc(Br)cc1)c1nc(C(=O)OCC)cs1 432448618 PFMGIAXGFVIVHT-ZDUSSCGKSA-N 437.359 4.795 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2OC)c1 526489125 GAVSZUCXAFEJRR-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc1OC 526823214 SWMADHCETZTZRT-YSMPRRRNSA-N 435.553 4.902 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 534236250 RKKZSSUAARFNRC-KRWDZBQOSA-N 430.938 4.747 30 10 IJEE CC(C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 535324350 FCNQWFOLWSMAQE-JOCHJYFZSA-N 444.318 4.852 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc(C(F)(F)F)cc1 542410545 QTHZEWMLJFUOGZ-UXHICEINSA-N 446.473 4.603 30 10 IJEE C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1-c1ccc(Cl)cc1 610090688 DYEYWADOOPQWFB-GOSISDBHSA-N 445.954 4.866 30 10 IJEE CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)n1 613429197 NKXXPWSHYSTUBD-LJQANCHMSA-N 428.540 4.610 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)[C@@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698907540 CWDGCGKBIKNJLH-INIZCTEOSA-N 437.334 4.822 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1cc(Br)ccc1[N+](=O)[O-])C2 712807730 SGWGXIUZYDHBRA-KBPBESRZSA-N 436.306 4.681 30 10 IJEE C[C@@H](c1nnc(SCc2cc(Cl)ccc2OCC#N)n1-c1ccc(F)cc1)N(C)C 735230398 AISAEUGDPDGPID-AWEZNQCLSA-N 445.951 4.877 30 10 IJEE COc1cc([C@@H](C#N)NC(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc(OC)c1OC 742060298 PQYIXJQSKDQSQW-JZUUQJBKSA-N 434.414 4.516 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 742214858 LURRZGJSLUFILI-IBGZPJMESA-N 425.941 4.714 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1OC 749657576 YDAZUAQMCIGKPJ-VQTJNVASSA-N 444.572 4.512 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cn1nc(-c2ccc(F)cc2)ccc1=O 749665457 KWSZRWGAZAIJOO-UHFFFAOYSA-N 446.295 4.597 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC(c3cccnc3)CC2)c1=S 768467231 DCULFKKRWGDYSA-UHFFFAOYSA-N 435.597 4.720 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 786557345 LSRLATMCEKRGNJ-GOSISDBHSA-N 442.368 4.674 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCCN1C(=O)OC(C)(C)C 790373399 QOPYWNJUYNJVMW-VWLOTQADSA-N 441.572 4.597 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C 805786145 NHIFEQPECYVKIQ-XMMPIXPASA-N 447.627 4.578 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(CC[C@@H](C)F)C2=O)cc1 814711551 NFRQCASOIXDRQT-ACJLOTCBSA-N 447.557 4.659 30 10 IJEE CC(=O)N1CCc2cc(/C(=N/OCC(=O)OC3CCC(C(C)(C)C)CC3)C3CC3)ccc21 821233071 PLMPHJHHMHGYQR-IMVLJIQESA-N 440.584 4.874 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@H]3c3ccc(C)c(C)c3)nc12 920485212 RGQRBSIUNWYLKI-NRFANRHFSA-N 445.592 4.778 30 10 IJEE CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(C(F)(F)F)c1 1083980835 FRDFHYOUYKZOOQ-OAHLLOKOSA-N 441.862 4.949 30 10 IJEE COc1ccccc1C/N=C(/NC[C@@H]1CCCO1)Nc1cc(-c2ccccc2)ccc1O 1088684369 RKFUUTGTQWLMQE-QFIPXVFZSA-N 431.536 4.805 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccncc2OCCC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1129464193 DIYGXQNTQPAFKZ-RUZDIDTESA-N 445.604 4.859 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccccc2C)c1C(F)F)c1ccc(Br)cc1 1129610387 KGBDPTJYURKXMD-KRWDZBQOSA-N 444.279 4.985 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1138160150 MYRFTPIVENETFG-JPYJTQIMSA-N 431.536 4.709 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Br)cc1O 1142766631 CBAYQEVIGXUWDP-NSHDSACASA-N 427.220 4.728 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCCCC2 1167538299 BDJSCZSBPIKXMC-NHCUHLMSSA-N 429.630 4.887 30 10 IJEE CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1214718891 DVRPXDXHFSZXMV-WIOPSUGQSA-N 435.524 4.575 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(I)ccc1Cl)c1ccc(F)cc1 1215820145 VAARMOMULGPUAW-AWEZNQCLSA-N 428.632 4.580 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccc1C)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1227314394 DNKWCTRNHHEJDL-QFIPXVFZSA-N 427.589 4.736 30 10 IJEE C#CC[C@@H](NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1230566013 NTPPTFBICFWGBO-BWKNWUBXSA-N 425.573 4.574 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 1264834875 WNSWUIRCSLIBRL-WMZHIEFXSA-N 434.337 4.862 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 1276646308 WUVUQFIQTQROBW-KSSFIOAISA-N 431.414 4.538 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCSC1 1286273682 GEFHZTMWJBWJRL-SJLPKXTDSA-N 437.638 4.978 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C2CCC1(C)CC2 1286336351 XICYVOALMXPTEK-SZTYLXMGSA-N 427.593 4.675 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1286500976 IUASVQRTZKNCGW-QRFRQXIXSA-N 445.032 4.988 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1286614108 LDFNXFOPYXUDEB-OALUTQOASA-N 433.021 4.909 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN(C)C1CCCCC1 1286718312 FPEDGJLDKLZJID-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1CCC[C@@H](C)C1 1286719959 OQWPICGUKHLMTI-QGZVFWFLSA-N 432.012 4.740 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1c1ccsc1 1286774672 ARILBSZOXZJWTL-LJQANCHMSA-N 443.617 4.982 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286832468 UDJNSZXHIYUNEH-XLIONFOSSA-N 428.602 4.582 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC1CCOCC1 1286962534 BKTSLKMXCPYMJO-IBGZPJMESA-N 449.555 4.530 30 10 IJEE CC(C)(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccccn1 1291712447 ACUQSICZGPTEEG-UHFFFAOYSA-N 430.455 4.936 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c(OC)c1 1296274711 ZJJHOEDKTFOUDM-OAQYLSRUSA-N 447.535 4.996 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C)=C(C)C1 1300391725 RYRGGTRXXGINIK-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1300394200 NCZDBDFQBWPDNU-UHFFFAOYSA-N 448.489 4.853 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 1300433437 ARJGHXNFBHPAHS-FQEVSTJZSA-N 432.486 4.659 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1C2CCC1(C)CC2 1300974871 OKDOSUDPVGFCDV-UHFFFAOYSA-N 449.368 4.961 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301154520 UMFOOITWBQTGOO-OAQYLSRUSA-N 448.615 4.727 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1301259213 ICKHZFWGEXDYFB-GHTZIAJQSA-N 430.618 4.631 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC1CCN(CCC)CC1 1301362353 DCBIMHJOOBRTRD-QFIPXVFZSA-N 443.661 4.896 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CCc1ccc(F)c(F)c1F 1301410289 BFMWIUPPLSLDTJ-UHFFFAOYSA-N 441.457 4.761 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](SC)C1 1301531467 NCKXJYSVJGAURD-QFIPXVFZSA-N 449.624 4.599 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(CC)CCOCC2)C1 1301537418 AKBSVSFRJDMLTA-GOTSBHOMSA-N 438.616 4.808 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCCC2(F)F)C1 1301557586 VICZKHUXSPCQFX-OALUTQOASA-N 434.506 4.615 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)[C@H]1CCCc2ccccc21 1304067736 RNPXMWPKNUXHTR-YKSBVNFPSA-N 433.527 4.609 30 10 IJEE CCC(CC)[C@H](Cn1c(N(Cc2ccc(C#N)cc2)C2CC2)nnc1C(C)(C)C)N(C)C 1305713267 FGFMILOUJDDMJW-QHCPKHFHSA-N 436.648 4.983 30 10 IJEE CCN(CC1CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1)C(=O)OC(C)(C)C 1306977511 CSOFEDAFPHLMDS-UHFFFAOYSA-N 437.544 4.614 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)c(I)c(F)c1)c1ccc(Cl)cc1 1310242479 SMTXBTMROUTTNO-CQSZACIVSA-N 446.622 4.719 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@@H]2C)cc1)c1ccc(Br)cc1 1310778378 LTBJPOXXGGRTCY-SZFUDVHCSA-N 440.341 4.706 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1ccccc1 1348518592 GQDLSNBQRMJBEU-VAMGGRTRSA-N 426.582 4.652 30 10 IJEE C=CCN(C(=O)C1=Cc2cccc(OC)c2OC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350012470 JKULMOPSPRTDIM-UHFFFAOYSA-N 449.488 4.722 30 10 IJEE C=CCc1cc(CNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)cc(OC)c1OC 1358049664 XNDXDTBSVQVZPO-XXBNENTESA-N 444.369 4.789 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1358905903 PANNAEZSVLCNFA-UZLBHIALSA-N 443.389 4.515 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1cccs1 1358922643 LYJMQYIEIQFQEQ-UHFFFAOYSA-N 429.387 4.861 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1358996595 KJHGPJNJEMQPPL-VPUSJEBWSA-N 444.623 4.950 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC(F)(F)C1 1359019015 IIRSMTOVUBGCHF-WOJBJXKFSA-N 446.542 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)CC1CC1 1359102592 CZRBMQBPSIDOSJ-GCJKJVERSA-N 430.980 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC[S@](=O)C(C)(C)C 1359107003 ABNMIVCOOSDAJB-ZOKDDAQRSA-N 436.597 4.507 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC2(CCCC2)C1 1359118834 GOYUUCMTNFCMFV-UHFFFAOYSA-N 431.378 4.742 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@H]2C)CC1 1359169873 YLYLENCSAFOGBV-AQNXPRMDSA-N 429.609 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(Cl)nc1 1359270267 JEHMCNBCQURRAH-UHFFFAOYSA-N 432.915 4.875 30 10 IJEE C#CCOc1cccc(NC(=O)CCc2cc(Br)c(Br)s2)c1 1360163682 FWDMZXNFDNOMTK-UHFFFAOYSA-N 443.160 4.856 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(C)CCCS2)c1C 1360865553 DCMVFQXJMQLTCX-XKDCRVNJSA-N 427.618 4.917 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 1436985536 APXMUNLOLXLQRI-OAHLLOKOSA-N 443.400 4.550 30 10 IJEE C=CCCC[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 1438922307 PPQCPGJDUHBHAC-FQEVSTJZSA-N 435.593 4.941 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1ccc2c(c1)OC(F)(F)O2 1458828042 PXLAFIDYUYIQPH-UHFFFAOYSA-N 435.427 4.796 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]2c2ccco2)nnc1-c1ccc(Cl)cc1Cl 1460857636 AGWBIJMDFSPQKN-GDBMZVCRSA-N 449.363 4.795 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)CCCN1C(=O)OC(C)(C)C 1461597748 UAWNLXGVTJUTRN-JWQCQUIFSA-N 428.573 4.531 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)cc1 1463923342 PSFMSUMKMZZHLN-HXUWFJFHSA-N 444.576 4.796 30 10 IJEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCCc2ccccc21 1465257998 PHDSFZAIILGPAM-JXQFQVJHSA-N 435.543 4.984 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCCc3ccc(Br)cc3)n2)c(Cl)c1 1465979823 GKUIVKILCSKWKC-UHFFFAOYSA-N 444.720 4.524 30 10 IJEE N#Cc1ccc(F)c(CS(=O)(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)c1 1475167370 BNPWIASAAKWMEU-UHFFFAOYSA-N 441.355 4.936 30 10 IJEE C#CCC1(NC(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)CCOCC1 1478171853 YBDIZGWADVHXLX-FQEVSTJZSA-N 445.332 4.549 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1)OC 1496602845 DKYXBBIBWZSQFH-WIOPSUGQSA-N 434.588 4.788 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(CC)s1 1507681794 BTXYIXIGQWQDFC-UHFFFAOYSA-N 435.416 4.901 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CCCCC1 1507744186 PAQJGBWDNJFDPA-UHFFFAOYSA-N 439.629 4.530 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCCc1ccccn1 1507747064 AKPMNWIVKZRHPW-UHFFFAOYSA-N 443.979 4.568 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@@H]1C 1507747230 BPYZBAYLKMSYNV-OALUTQOASA-N 436.581 4.718 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1507795536 IUMBJETWMRRSLZ-ZNTQHIFFSA-N 438.616 4.837 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1507804764 HTWTWCXXUPEQGY-MTQWNXOMSA-N 438.616 4.896 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CC[C@H]1C[C@H](F)C1 1507995907 DRAUYSPRLWYVJF-ACRUOGEOSA-N 428.552 4.512 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@H]1N(C)CCCC1(C)C 1508005979 DZYOBTAMQRTNPA-QFIPXVFZSA-N 425.596 4.683 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCN(C)c1ccccc1 1508007581 FECDZHOFYDQQSF-FQEVSTJZSA-N 437.613 4.563 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1508011433 DQVKTNHKUJSJEB-SFTDATJTSA-N 432.616 4.752 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508050922 CZNMSKSEVXYCOX-SFTDATJTSA-N 439.604 4.842 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[C@@H]2CCO[C@H](C)C2)C1 1508119015 ZBLNSUNNFXQVLO-LUGTWXOSSA-N 438.616 4.807 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 1522842744 HXXCCGDZWBGDSY-FOIQADDNSA-N 427.342 4.616 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](SC)c2ccccc2)c(C(=O)OCC)c1C 1524507750 COKUOVYFSIOCEG-KRWDZBQOSA-N 433.551 4.619 30 10 IJEE C=CCC[C@H](NC(=O)CC1(Cn2cnnn2)CCCCC1)c1ccc(C(F)(F)F)cc1 1526560099 GOWMEZFINLKMTJ-IBGZPJMESA-N 435.494 4.856 30 10 IJEE Cn1ncc(Br)c1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1526586990 ACGKYBNFZUSUOY-UHFFFAOYSA-N 448.136 4.724 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(N3CCOCC3)c(C)c2)s1 1526814277 GDZDRWJKBTYRPE-UHFFFAOYSA-N 438.018 4.622 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(-c2cccc(C)c2)n1)c1ccc(Br)cc1 1528080983 LDWYYTPQKNEDHN-IBGZPJMESA-N 425.351 4.914 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 1528209961 SVDGUOIXXGDMCJ-GOSISDBHSA-N 438.490 4.659 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)c1ccc(F)c(F)c1 1529491806 HPWOZIKZXAACAC-OAQYLSRUSA-N 429.417 4.965 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2cn(C)c3cc(F)ccc23)s1 1529796184 AXNWQZXWVZETMQ-UHFFFAOYSA-N 437.993 4.828 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(c2cccc(F)c2C)[C@@H]2CCO[C@H]2C)cc1OC 1534920078 KACAYNXXFDZJPU-UHPUZVSBSA-N 425.500 4.931 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC2(c3cccc(F)c3)CCC2)nnc1-c1ccco1 1537381502 NZCQONKSBGPLTA-UHFFFAOYSA-N 440.544 4.584 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(C)C)C1 1539607955 REPZXJNGNLECDQ-GOSISDBHSA-N 433.394 4.865 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1539691020 DZRRJDWYKVRXCF-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1539810131 LOEANAVHWXFRER-HXUWFJFHSA-N 444.004 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC(F)F)C1 1540885237 DWOQHJVVKBABRM-LJQANCHMSA-N 434.531 4.653 30 10 IJEE C#CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)C(=O)OC(C)(C)C 1542825164 ALMLKHNNJPKAOZ-UHFFFAOYSA-N 444.963 4.632 30 10 IJEE C#CC[C@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)CCCN1C(=O)OC(C)(C)C 1544083353 GAPKJOKATJTKGS-HYBUGGRVSA-N 432.992 4.989 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2C#N)[C@@H](C)C1 1544389937 FQMIQKCQPGAWLI-ZOBUZTSGSA-N 439.556 4.936 30 10 IJEE CCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C(=O)Nc1ccccc1C 1559791353 AKVKMVKVTLBJSF-KRWDZBQOSA-N 426.948 4.588 30 10 IJEE C#CCN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCc2ccccc21 1560171945 KCFZYSFOVFBKGS-LJQANCHMSA-N 445.876 4.847 30 10 IJEE C=CCOc1c(Cl)cc(CNCC2(N3CCOC(C)(C)C3)CCCCC2)cc1OC 1560326262 SSDLXOOETWHZQI-UHFFFAOYSA-N 437.024 4.817 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 1561745351 PCZXDYHXPSLPLB-NEWSRXKRSA-N 427.994 4.701 30 10 IJEE CCOc1cc(C=NNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc([N+](=O)[O-])c1O 1565518938 RSOFZTXOERYTOV-UHFFFAOYSA-N 441.259 4.720 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 1566381725 CJQYABMBHPAVBY-MJGOQNOKSA-N 441.597 4.945 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 1584373211 DDUFHFRTAFUKMV-QGZVFWFLSA-N 440.009 4.523 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1585645220 FBBXVAJNJATCAD-KRWDZBQOSA-N 448.485 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1588310185 SZLXLBFRBAZMEA-VWNXMTODSA-N 429.568 4.584 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN(C(C)C)C1 1589242974 ROWMRRJJXASSMW-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1589642112 VZZPYCYKYRBKMR-FQEVSTJZSA-N 442.608 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](SC)C(C)(C)C 1589669245 OHNZYEGTTXBNII-IBGZPJMESA-N 426.634 4.697 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)O[C@H](CC)C1 1589731221 DDBBKNAOXCCIMH-UKRRQHHQSA-N 439.785 4.941 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1594102445 MWQPUKQDAAVRSD-NRFANRHFSA-N 428.024 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CC)CCOCC2)CC1 1594203108 YPIHPMGJEGOFHP-UHFFFAOYSA-N 448.409 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1594472442 DYXJDGPYALPMNE-NQIIRXRSSA-N 434.592 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc3cnccc3c2)nnc1[C@@]1(OCC)CCOC1 1594528079 DYRWLXGONCOLFH-AREMUKBSSA-N 449.599 4.717 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC1(SC)CC1 1595075417 DVUFPXWBMHHSMQ-UHFFFAOYSA-N 435.597 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC(=C)Br 1595148922 CKYQFEMIJPIXFL-UHFFFAOYSA-N 440.370 4.979 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C 1595171778 YJQOSQXUNKFNFC-PWRODBHTSA-N 433.710 4.896 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(CC)CCOCC1 1595244272 XZYGXLANZZDJRO-UHFFFAOYSA-N 445.567 4.852 30 10 IJEE CC(C)(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCn1cc(Cl)cn1 1597227159 HLVPWKYYKYYBCX-UHFFFAOYSA-N 449.990 4.582 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C)C1CCCC1 1611742532 GAISFWQFTGXDSB-ZWKOTPCHSA-N 445.011 4.684 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@](C)(O)C(C)C)c1C 1611822149 DLAAWTKXUHRWID-NLFFAJNJSA-N 439.604 4.572 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCOC1CCSCC1 1613298880 CZYUDVIPTKWKBM-UHFFFAOYSA-N 426.007 4.701 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCc2ccccc21 1613299432 QAWOYXKNFQFWSJ-UHFFFAOYSA-N 426.973 4.851 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSC2CCCCC2)c(C(=O)OCC)c1C 1613317765 VIIJZOSJMAESFR-UHFFFAOYSA-N 425.572 4.580 30 10 IJEE CCS[C@H](C)C[C@H]1CC(=O)/C(=C/Nc2ccc(Cl)c(Cl)c2)C(=O)[C@@H]1C(=O)OC 1614297241 UXXDMMKKPZYWAB-UGYUERNYSA-N 444.380 4.768 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C1CCOCC1 1623020496 LOXZVYYEESUXLU-NRFANRHFSA-N 432.442 4.834 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 1626343002 USPOGYCEYKBALY-UHFFFAOYSA-N 441.531 4.839 30 10 IJEE C=CCNc1ncc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)s1 1626976455 VWOMXFKGSZLZFB-UHFFFAOYSA-N 447.564 4.892 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1)C(=O)OCC 1627752468 PNQVLLILUCTEKA-XMMPIXPASA-N 445.563 4.843 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)C(C)C 1628249119 LIMYVXVQYZQTBI-WZYRSQIMSA-N 447.664 4.760 30 10 IJEE C#CCN(C(=O)CCn1ccc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 1629238557 NRVFNQDCSTZEFB-OAQYLSRUSA-N 437.337 4.780 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1OCC(F)(F)F 1629890269 GJJIVQPWVUPCPU-QGZVFWFLSA-N 444.494 4.802 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)n1 1635721363 LCRIGMYEYUTMLI-NRFANRHFSA-N 444.620 4.509 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(Oc2cccc(Br)c2)ccn1 1636632474 WKVCOZGCSDAHIF-LJQANCHMSA-N 429.314 4.776 30 10 IJEE C#CCN(C(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)[C@H]1CCCc2ccccc21 1639321344 BSKNQJDNSSFCQP-QHCPKHFHSA-N 435.568 4.511 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCCC(C)C)nc2sc(-c3ccccc3)cc2c1=O 1643604768 RXIVXZHYRMOERV-MRXNPFEDSA-N 441.622 4.954 30 10 IJEE C#CCCCCCCSc1nnc2n(Cc3ccccc3OC)c(=O)c3ccccc3n12 1652458849 RLOHFFGOOYFTEK-UHFFFAOYSA-N 446.576 4.777 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](c3ccccc3)C[C@@H]2C)n(Cc2ccc(F)cc2)c1C 1652501022 CRPVKBQFULBKKC-FDDCHVKYSA-N 444.554 4.981 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)Cc2cc3ccccc3o2)n(Cc2ccccc2)c1C 1652665222 CDNRQPDAWAMHNV-UHFFFAOYSA-N 426.520 4.842 30 10 IJEE C=CC[C@@H]1N(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CCCC1(C)C 1653459730 JEKAVNMLPODEHU-DEOSSOPVSA-N 433.596 4.930 30 10 IJEE CC[C@@H](CC#N)NCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)cc1 1653822493 ADQHLLGQRDLENG-OZXSUGGESA-N 440.547 4.808 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@H](O)CC(C)(C)C3)c2C#N)C1 1654457783 BDTYXYQSILOSPD-SJORKVTESA-N 431.646 4.582 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1OC)c1ccccc1 1654689749 FGKBHPHVWFWGLP-INIZCTEOSA-N 428.323 4.583 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(Cc2c(F)cccc2F)CC1 1654707158 GZCLZBGWZQSBGM-KRWDZBQOSA-N 429.486 4.694 30 10 IJEE C=CCCn1cc(CNC[C@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)nn1 1656798586 OQMHZJGGYACVCH-XMMPIXPASA-N 435.641 4.928 30 10 IJEE Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1661691176 BWNQPCGTZZZTLI-OAHLLOKOSA-N 436.377 4.858 30 10 IJEE C=C(C)COCCNC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1665595666 PZTGGIITCQMBSX-HSZRJFAPSA-N 441.641 4.863 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 1668761058 QRCOIEXAXQPHSQ-HXUWFJFHSA-N 445.466 4.560 30 10 IJEE CC(C)(C)c1cc(NC(=O)N[C@H]2COc3cc(F)cc(F)c32)n(-c2ccc(C#N)cc2)n1 1669880513 CGAFIJZRWHQAOM-KRWDZBQOSA-N 437.450 4.575 30 10 IJEE Cc1cc(NC(=O)NCC2(c3cccc(Br)c3)CCCCC2)nn1CCC#N 1670358523 GXYQFVDWZNREDE-UHFFFAOYSA-N 444.377 4.891 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 1671186371 XQPIREKHYCQVJK-TXTKFYIRSA-N 429.967 4.959 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](CCc2ccccc2)C1 1672708850 UODGNBLIJBDKFO-IBGZPJMESA-N 445.357 4.879 30 10 IJEE CCS(=O)(=O)N(C)c1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 1674513801 BHVPPXAINDHRRB-HNNXBMFYSA-N 432.571 4.511 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Br)cc1 1677381308 VFONWWBAKLEBEF-SESVDKBCSA-N 427.342 4.591 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1677873193 FSQALDRPOLWEJP-IBGZPJMESA-N 436.313 4.706 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C(C)C)[C@@H](O)c1ccccc1 1678356570 ZNNIZXCFAVXQGU-UXHICEINSA-N 433.346 4.894 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccc(Cl)cc1 1683676718 UGFJQBMCLZJAFK-RTBURBONSA-N 433.733 4.560 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1noc2cc(F)ccc12 1684908192 ZPZUNTUPQCVXBQ-UHFFFAOYSA-N 436.256 4.766 30 10 IJEE CCc1ccc([C@@H]2CCCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)C2)cc1 1685677145 CNSUPZZITYQVKW-ZKMFCFPVSA-N 432.568 4.795 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)c1ccccc1 1686919894 NVFUZTVGYGWNIZ-NRFANRHFSA-N 427.342 4.514 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCC2(CCCC2)O1 1686928464 UOFAUXANWKHKSR-QGZVFWFLSA-N 425.342 4.778 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)C(F)(F)F 1690001959 WBOFBVZZQRXQET-GOSISDBHSA-N 432.490 4.696 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1690156580 YZZYMELKFZYXFG-HKUYNNGSSA-N 428.602 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([S@](C)=O)CCC1 1690196368 ICNFGCNNDSLOSA-XJFCNFDWSA-N 438.641 4.536 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C1CC1 1690252150 AKIWDPUTLNRJQT-VBKZILBWSA-N 437.371 4.744 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690296742 KODIZAXBJJFFDK-GOSISDBHSA-N 433.021 4.931 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccco1 1690343891 GPWCRTUXAPYFBT-INIZCTEOSA-N 449.983 4.936 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1690349420 YELXWXYKAWBBII-CYBMUJFWSA-N 439.010 4.516 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2CC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 1690417467 SRBHOLNSQXGBSE-QPPBQGQZSA-N 437.632 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 1690434774 GOWMSSFRSRAJLZ-UHFFFAOYSA-N 444.620 4.713 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1)c1ccccc1 1690444293 DMIFBEIEFZIXEP-QFIPXVFZSA-N 449.643 4.675 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(CC)C1 1690469103 DMWGEKNIVLYBLU-YADARESESA-N 447.624 4.712 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1690482880 CIPXPXOAGLNZBL-PMACEKPBSA-N 448.514 4.665 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1690497383 OPEPWLROPVOLLN-CTNGQTDRSA-N 442.604 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1 1690597354 RFLSLBOHDOXHQO-NRFANRHFSA-N 428.024 4.821 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1692659913 HVIOQOLFBOSYRX-KRWDZBQOSA-N 440.592 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705477145 JQBWGTLWFNBLAG-SESVDKBCSA-N 439.604 4.581 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ncc(CC)s1 1705481980 PWZKPABAWHRDTC-MRXNPFEDSA-N 439.654 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CC1CCC(C(F)(F)F)CC1 1705503416 WMQCUFJOUVKTIZ-LMDPOFIKSA-N 434.506 4.992 30 10 IJEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1705532320 LQHSZPMNBVNBCN-JOCHJYFZSA-N 436.600 4.573 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705604928 WUPVLOOQFSYMQO-NHCUHLMSSA-N 439.604 4.583 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(OC)c1 1705607023 NRISEZJIKCZAHP-SFHVURJKSA-N 434.609 4.842 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1[C@@H]1C[C@H]1C(C)C 1705622693 PQGBRRKWEPUKLL-VQTJNVASSA-N 435.597 4.680 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCC1CCC(OC)CC1 1705625863 ZPWNVGRWHVIRGS-UHFFFAOYSA-N 435.547 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(N(C)c2ccccc2)CC1 1705695712 YCMMPSPPWIGLPF-DPLHUUCSSA-N 437.632 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705706006 OHVXHNIBQKKZSH-JFYQVNSESA-N 430.637 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1705716837 WLWHXHNQDKTXLG-QHCPKHFHSA-N 427.612 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCc1nc2c(s1)CCCC2 1705718327 JHJZJCTYZGPVIR-UHFFFAOYSA-N 442.658 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](OC)c1ccc(Cl)cc1 1705719151 NGYZNEONSGIKHR-NRFANRHFSA-N 442.995 4.583 30 10 IJEE C=C(C)Cn1c(N2C[C@@H]3CCCCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728409 JSUVPJIGZXTIAK-VNTMZGSJSA-N 429.609 4.784 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cc(C)cs1 1705738092 KIUHAAJZTCPLEV-UHFFFAOYSA-N 435.597 4.880 30 10 IJEE C=C(Cl)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705750504 FQFAKLOOYNWDOB-HSZRJFAPSA-N 425.964 4.887 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1705797580 YPIZXZRETNLDJK-YADHBBJMSA-N 446.599 4.879 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@@H](C(C)C)C1 1705827554 JFHZCLZDDIGOCH-OAQYLSRUSA-N 437.613 4.664 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1csc(-c2ccco2)n1 1705847334 OTLYULHBVAVLDJ-SJLPKXTDSA-N 427.574 4.584 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1CCC(C(F)(F)F)CC1 1705848397 JJCUMKKEEAEJRU-UHFFFAOYSA-N 426.458 4.987 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)OC 1705864616 HKEGDRUUTTUNFZ-TUNNFDKTSA-N 444.595 4.953 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCCC1 1706067995 CJVXKOOVDQNKLI-MOPGFXCFSA-N 445.011 4.543 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1Cc1ccsc1Br 1706126658 FVRLVHJWEGNAIV-UHFFFAOYSA-N 436.423 4.869 30 10 IJEE CC(C)(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)C1 1706897460 CAFRDHRRHKZSFF-YADARESESA-N 435.597 4.658 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2Cc2noc3c2CCCC3)c1C 1706972591 AFMFMSWBLXIROH-HKUYNNGSSA-N 448.571 4.688 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)C1 1710935596 DASGZSAUJSVNTE-OALUTQOASA-N 438.626 4.626 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1Cc1cnc(C)s1 1722469709 JYKVIDZJXYGPPP-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1722480409 QHVLKVSOCYPZLE-IBGZPJMESA-N 437.769 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCC(C)CC2)nc1 1722503958 XQQVEJXUFNCFIP-UHFFFAOYSA-N 434.588 4.929 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722547113 AVTJKOCJJJTPFK-FQEVSTJZSA-N 444.023 4.655 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)CCC)CC1 1722574476 LYWARHORUPFPFR-NLFFAJNJSA-N 426.605 4.988 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1722606638 RTXOVTWGKHLTBP-FQEVSTJZSA-N 439.585 4.556 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1722677789 FMOAIFMTRZTSIX-FYYLOGMGSA-N 438.616 4.863 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCc1sc(C)nc1C 1722678432 QPYOCTRQTVDBFT-UHFFFAOYSA-N 449.983 4.692 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)cc1 1722704081 BRHVDTJOVPODSA-OFNKIYASSA-N 431.584 4.892 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H]2C)C1 1722710831 OTMUCGAAAKUTSV-ILZDJORESA-N 445.405 4.925 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(C)C)C1 1722732743 OAEIPLOZDIKMTR-IFMALSPDSA-N 444.645 4.815 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722732868 RKKHBSKTCZPHPZ-FQEVSTJZSA-N 428.646 4.593 30 10 IJEE C=CCOc1ccc(Cn2c(Nc3cnn([C@@H]4CC4(F)F)c3)nnc2C(C)(C)C)cc1 1722733258 VKUXRQXSZBBWLV-GOSISDBHSA-N 428.487 4.709 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCC1(OC)CCC1 1740678964 LUZICYNPQZYWIF-UHFFFAOYSA-N 438.572 4.669 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740709446 NOGWTICHLSBNTR-XUVXKRRUSA-N 442.604 4.940 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccoc1 1740711654 QKLDXFSHAOVIGB-INIZCTEOSA-N 426.611 4.727 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](OC)C(C)(C)C1 1740740925 NAEHEDVPQHNUMJ-HNNXBMFYSA-N 443.748 4.507 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](CC(C)C)C1 1740747899 AAMZTYJPPYMETH-GOSISDBHSA-N 433.394 4.947 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCc2ccc(Br)cc2C1 1740751754 OHSQNCSYUVRKSH-FXAWDEMLSA-N 445.405 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(OCc2ccccn2)cc1 1740771182 VNGDRJZGBCZODG-UHFFFAOYSA-N 440.551 4.765 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1740825208 UZWKKDCCDWPAJQ-FHWLQOOXSA-N 428.552 4.917 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCCCC2)CC1 1740825586 XKMPUHGHFHKVAN-IBGZPJMESA-N 429.996 4.714 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccnc(SCC)c2)CC1 1740828683 TWAUXLUZFFJUGO-UHFFFAOYSA-N 449.624 4.784 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1740836317 NVTPPOPNEGLGFD-RLWLMLJZSA-N 438.616 4.833 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(C(C)(C)C)CC1 1740861444 NCAKQFFLQSNBJZ-UHFFFAOYSA-N 447.631 4.798 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccccc2C)CC1 1740861909 DKZWGSHNNKNAKP-UHFFFAOYSA-N 430.600 4.635 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1c(F)cccc1SC)C1CC1 1740912677 OGJXFKWVBKSKOH-UHFFFAOYSA-N 429.590 4.698 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC1(CC)CCOCC1 1740918987 YIPQIXHJTFFTGD-UHFFFAOYSA-N 431.584 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC=CCO1 1740922573 LZVRFPAOLPYHJS-QGZVFWFLSA-N 427.961 4.593 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1740998510 PMWFBZUBOAQAHV-UHFFFAOYSA-N 438.601 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1C1CC1 1748643007 SNCWUBAXMJRVFB-UEXGIBASSA-N 442.007 4.546 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCO[C@@H]1C(C)C 1748775421 LNHCNNKMJPHKOG-DENIHFKCSA-N 426.630 4.796 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1ccc(Cl)s1 1748841974 CNEMYBJOAXROJT-UHFFFAOYSA-N 447.951 4.631 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1748876371 CPSQKVBLORZYAP-DEOSSOPVSA-N 430.596 4.852 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1749312368 JXEWXQYRUFNOED-DEOSSOPVSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2OCCC2(C)C)CC1 1749330857 PZEOKRKRWQNIIP-IBGZPJMESA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC=CO2)CC1 1749331410 ZNRKGAKKTFHHEZ-QGZVFWFLSA-N 447.352 4.942 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](C)C1)c1ccccc1 1749385712 TXVSIAXQXIZXPK-YLJYHZDGSA-N 439.654 4.935 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCN1CCCCCC1 1749531899 PVRKMRKQVFEZSU-UHFFFAOYSA-N 444.583 4.787 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC=C(Br)C1 1749620745 OXQYPQIPWXSVPJ-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)SC)C1 1749719641 YJRANHIOXUMVRC-GOSISDBHSA-N 432.659 4.802 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)N(C)C)c1 1751745581 HLSJYBBVXYVDJZ-NRFANRHFSA-N 436.629 4.799 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCN(C(C)C)C(C)C 1760298704 RYBSYLCVSWTLIA-AREMUKBSSA-N 437.632 4.585 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)Cc1ncc(CC)s1 1760303865 ANUNIKASUUUUBQ-UHFFFAOYSA-N 436.354 4.648 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1760321033 AUKKMMWGAIAPPT-LQBOVUBWSA-N 445.007 4.507 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)NC(C)C)CC1 1760398833 ODWLTNOQURCKSX-UHFFFAOYSA-N 441.645 4.593 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCC[C@H]2CC)CC1 1760399473 OEZDNBUNJWLIMQ-HXUWFJFHSA-N 429.012 4.660 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C[C@@H]1CCOC1)C1CC1 1760416913 QEPMAMAYEUNCAI-CEWLAPEOSA-N 430.637 4.804 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1760447397 MLWAFRVKANIHLN-VDZJLULYSA-N 448.409 4.643 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@H]1C(C)C)C1CC1 1760471325 SBAVDVPAYYLBEL-SVMVAKDDSA-N 428.552 4.773 30 10 IJEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1760496869 JFONSWSCWOGREG-UHFFFAOYSA-N 433.503 4.765 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760504305 NUNOAQPQNMRRGW-CYFREDJKSA-N 446.039 4.748 30 10 IJEE CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC#N)c1ccccc1 1764219585 GBSKVEKNLIELLU-CVEARBPZSA-N 441.377 4.968 30 10 IJEE N#CCCN(CC1CC1)c1nnc(C2CCC2)n1CCc1ccc(OC(F)(F)F)cc1 1770756219 AAUYBCODQPZFBB-UHFFFAOYSA-N 433.478 4.817 30 10 IJEE Cc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772728411 CVNQHKMPBFKBLB-UHFFFAOYSA-N 439.497 4.994 30 10 IJEE Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3nnc(C)s3)N(C)C2=O)cc1 1772740249 ZEOAPVPIJIEIAP-PTOVGEMASA-N 436.562 4.968 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860937831 MZKZHKQKWBWYPB-UHFFFAOYSA-N 444.595 4.992 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCOc1ccccc1 1861776824 NIITUMRNIDZEOK-DEOSSOPVSA-N 442.575 4.799 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862476909 QFXYZDFEPDSKQL-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2cc[nH]c2c1 1862650861 FSVMXXSEVJRAFE-XMMPIXPASA-N 440.499 4.936 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(OC)c2)cc1 1862673818 OVZLNBZZWVAUOL-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1C(=O)O 1862702058 STPXRVQMEPIOIG-NRFANRHFSA-N 437.492 4.552 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CC(C)C)c1 1862746115 YZNZNKKWKPRLMB-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2)=C(c2ccc(Br)cc2)C1=O 1862825426 MUPFCFCGOZOALI-UHFFFAOYSA-N 444.288 4.717 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862835328 NBXOEGINKDZXTO-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1863621478 NXFYLWBVXXATSM-UHFFFAOYSA-N 436.600 4.771 30 10 IJEE CC(C)(C)c1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(OC(F)(F)F)cc2)cc1 1870157911 PTJUEPPWHCXMIC-UHFFFAOYSA-N 429.402 4.587 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4cccc(C)c4)CC3)C2=O)cc1 1871397619 DCXDTNPGDRWWOM-ONUIUJJFSA-N 440.543 4.947 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3cccs3)C4=O)CC2)c1 1871397831 SCKDPOVEBSKDLX-HAHDFKILSA-N 432.545 4.701 30 10 IJEE C=CCN(CC=C)c1nc(=Nc2cc(Cl)cc(Cl)c2)nc(N(CC=C)CC=C)[nH]1 1871733983 XBSOECLQJTVCME-UHFFFAOYSA-N 431.371 4.701 30 10 IJEE CC[C@H](C)[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872768163 LIHDUVSWCMWQEA-NYSBEXSLSA-N 443.528 4.697 30 10 IJEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(O)cc1O 1874226707 YDNUPEDKWDPBBF-BUVRLJJBSA-N 440.569 4.702 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc(OC)c1 1874243130 PLFHEWKSTFOOON-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCO)cc1 1874271823 NPOUGHYFCWBIMO-NLRVBDNBSA-N 446.576 4.778 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874305572 DZIPXIJWBGYLKN-YZSQISJMSA-N 444.560 4.952 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc[nH]1 1874314123 DAXQEIVHKVUZMI-NLRVBDNBSA-N 431.565 4.617 30 10 IJEE CCN(CC)C(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(C)cc1 1874356248 ZEFQIAAOJSTGET-WGOQTCKBSA-N 449.624 4.637 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874385262 HKNVWMIZMVYTCQ-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1 1874595123 VLONKIHBSUMWDG-NTUHNPAUSA-N 431.488 4.926 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccccc3)c2)c(C)c1C 1874598521 PZUNCSVTAAVTJG-WYMLVPIESA-N 429.516 4.903 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(F)cc1F 1874707511 JCUCFYOZNQARQW-FARCUNLSSA-N 438.382 4.817 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875088000 MFPLJRNEZLRSGJ-PKNBQFBNSA-N 448.387 4.627 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cnccn1 1875102091 YHIPEEZXINOKAM-FMIVXFBMSA-N 428.488 4.891 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])c1 1875120939 RDSULRKOEDUYNF-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1 1894967086 QZAZERFYMYJGAH-ROUUACIJSA-N 427.358 4.936 30 10 IJEE C=C([C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[Si](C)(C)C 1923025981 CSIQOWRTUIUVQE-QPPBQGQZSA-N 431.697 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1933895425 DMOWILWDKHQOGK-IECBHUPTSA-N 427.545 4.715 30 10 IJEE C#Cc1ccc(C[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1951687429 HOTAJBCAHNRLES-HHHXNRCGSA-N 425.484 4.592 30 10 IJEE C[C@](Cc1ccc(F)c(C#N)c1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951790606 LEPGFTAFJNUAEN-AREMUKBSSA-N 444.462 4.622 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1976249245 FGHUYBKXGGBZIP-UKRRQHHQSA-N 446.183 4.518 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)C(F)(F)CC1 1991569127 QOLHISXUFRMLIL-FQEVSTJZSA-N 429.508 4.705 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](O)c2c(Br)cccc2Br)C1 1991985017 BJZOEXFNTMHQHT-CQSZACIVSA-N 447.167 4.859 30 10 IJEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C)c(C=NO)c2I)c(C)c1 2079956853 HZTFYYPIQZARHQ-SFHVURJKSA-N 437.325 4.919 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1Br 2080228108 FQVPWDMKTVCHCN-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)OC1(C)C 2163721420 PFLMENYEILRIEX-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNc2cc(Br)cnc2C#N)C1 2167615916 ARDBDLHDOZWOAV-AWEZNQCLSA-N 435.366 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc(Nc3cc(Br)cnc3C#N)c2C1 2167618541 ZUNVFPCHLPOHRC-UHFFFAOYSA-N 429.318 4.753 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3ccc(C#N)c(Br)c3F)CC2)CC1 2174808602 QALGMTPUXKZDDZ-UHFFFAOYSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(Nc2ccc(C#N)c(Br)c2F)C1 2182457843 VUDPPKVMYFEXJC-RTBURBONSA-N 442.304 4.753 30 10 IJEE CN[C@@H](C#Cc1cccc(Cl)c1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216916382 SHPDSBAYWINKOV-GOTSBHOMSA-N 442.987 4.780 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2235720602 HPPZYMUMOQNOKU-NSHGMRRFSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1cccc(I)c1 2235729947 UQNZGQZPKUIHEG-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE C#CC[C@H](C)C[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237406121 ZPSDWIAGODNQLW-PWIZWCRZSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267112542 IHKVFLAWEQQWJG-HDICACEKSA-N 444.381 4.565 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@H](O)C#Cc1cccc(Br)c1 2278734898 JMGSIWPYGSAOLT-DLBZAZTESA-N 442.419 4.587 30 10 IJEE Cc1ccc(C(=O)N2CC[C@]2(C)CCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2282113243 NXIDSKAKKLEFCK-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE C=CCN(CC[C@@H](C#Cc1cccc(Br)c1)NCCC)C(=O)OC(C)(C)C 2296271596 GIBPCQRPYYPGJY-HXUWFJFHSA-N 435.406 4.982 30 10 IJEE C=CCSc1nnc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@H]2c2ccccc2)s1 2296303783 DHLGFQCUSFMVDE-OAHLLOKOSA-N 441.559 4.504 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 2296565780 XFHWSIIVVATRSO-QFIPXVFZSA-N 446.503 4.915 30 10 IJEE COc1cccc([C@@H]2C(=C(O)c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1 2296602876 CNMNCLHTRJQDLH-HSZRJFAPSA-N 440.455 4.771 30 10 IJEE CCCN1C(=O)C(=Cc2ccc(OCC#N)c(OC)c2)SC1=Nc1ccc(OC)cc1 2297462920 CZWNWRCSTATLPF-UHFFFAOYSA-N 437.521 4.620 30 10 IJEE COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)c2C)c1 2313557353 BANDOGSDZFSKNJ-UHFFFAOYSA-N 449.507 4.911 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)C1 2321271549 IHRMTCQXWXFJLS-YADARESESA-N 445.560 4.655 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)cc2Cl)c(C)c1 2321344311 JRDKSRPFKSZANR-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(Cc1nc3ccccc3[nH]1)CO2 2322192799 DTBAPCYBZIDEKB-UHFFFAOYSA-N 441.462 4.979 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1OC 2323378981 UCNWGGLWAAVILQ-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2323519064 INUVAGMBYNZOMT-UHFFFAOYSA-N 437.279 4.703 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324405633 BLDXMGVXIVDHQR-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE COCCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2C)c(Br)cc1OC 2325735783 IOLIWYQLNVFVHD-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE COCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2C)c(Br)cc1OC 2325740280 IYSCMAHRHQYATE-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)cc1OC 2325750843 MXEJSHRTBISVMX-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)C(F)(F)F)c2)c(OCC)c1 2325762064 MGDUJAIUJXOIIL-UHFFFAOYSA-N 438.398 4.856 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(C(=O)O)cc1 2325901289 IAIOWOCHTCPAJT-UHFFFAOYSA-N 438.553 4.765 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(OC)c1O 2326060672 XBIFUNCEYMPLMT-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc2c(c1)OCCO2 2326514644 DPANCGVFEQGUDY-UHFFFAOYSA-N 444.944 4.584 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(O)c(Cl)c1 2326867848 HKTUCSKXICEZFE-UHFFFAOYSA-N 448.932 4.532 30 10 IJEE C=CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc2ccccc12 2327878683 WYJSFNWUTNLWKN-LJQANCHMSA-N 433.581 4.706 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cc(Cl)ccc1O 2328559406 AQXVHJBNWCQOSJ-UHFFFAOYSA-N 428.945 4.993 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cccc(OC)c1OCC 2329288283 CXCGGLDBANJZRC-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 2332198096 HTAUFAAVVWEYRW-UHFFFAOYSA-N 444.495 4.946 30 10 IJEE CCN[C@@H](C#Cc1nc(CC)cs1)c1sc(Cl)cc1I 2366655512 SWEXVZRQEBMJDX-NSHDSACASA-N 436.771 4.727 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1C(C)C 9231433 CZQYKYJJMWRSOV-UHFFFAOYSA-N 431.330 4.506 30 10 IJEE Cc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c(C)c1 20575873 OPZBCBQJLLKRSN-NDENLUEZSA-N 442.537 4.990 30 10 IJEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Cl)c1O 20881645 PNEGCQVKSACXBE-RDJZCZTQSA-N 425.912 4.757 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(Cl)c2)Nc2ccc(C)cc2)c1C 32973254 QBERJLWJMHLGSR-UHFFFAOYSA-N 437.975 4.922 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)c1OC 41354650 YLPLAXVIZCYUOX-JAIQZWGSSA-N 436.485 4.838 30 10 IJEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2F)CC1 41585445 LTXJMRJMWQBYCC-IWIPYMOSSA-N 448.469 4.609 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 62896697 AKJFDPMTEWOPJE-UHFFFAOYSA-N 441.491 4.680 30 10 IJEE O=C1/C(=C\c2c(F)cccc2Cl)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 103023098 ORVGFXDUNFFMCT-UDWIEESQSA-N 430.840 4.863 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCOC(C)C 169948394 PULSHFXPMYBYPN-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 169962519 XBYWMJZYCGXBAN-NRFANRHFSA-N 435.863 4.843 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 170055672 DYXNOTVGNBSRNV-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170090301 UFMQPMPPNRNORE-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(C)c1 170141419 UNVYQYQNYTWHBC-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 170144702 SSEGUDPFYYKEJD-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(OC(C)C)cc1 170152139 HLDRBWKYMQDBBK-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)ccc1Cl 170161847 HTJHTZFHEQFOGS-KUHUBIRLSA-N 447.940 4.558 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccnc1 170185517 STGOGAZSFBPDDF-JOCHJYFZSA-N 428.488 4.798 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)cc1 170205872 LHVWRYFDMLRDLE-DEOSSOPVSA-N 435.483 4.615 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC)cc1 170213106 OAKMAQCJNDHEFU-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)c1 170221514 FOQXBUQFEGAIGL-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170223343 CZYPZJDQLZEEEG-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@@H]3c3ccccc3)ccc2O1 170234411 MBAFNKWSYSXBDG-VOIUYBSRSA-N 443.474 4.928 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266376 GIZQMQLCDXIILQ-HSZRJFAPSA-N 447.487 4.638 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccccc1C 170270381 MRCMSQRVLMUYFG-NRFANRHFSA-N 443.927 4.660 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1c(C)[nH]c2ccccc12 170312024 DBCLEXAGTOBAEQ-QHCPKHFHSA-N 430.504 4.790 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1CCOC(C)C 170313161 ULOBZNJIGGTEAF-HXUWFJFHSA-N 443.565 4.847 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(Cl)cc2)c1 170374578 IJWUBBSRCSVSGK-NRFANRHFSA-N 434.879 4.917 30 10 IJEE NC(=O)Cn1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc21 252605616 GKRYDDVKKYVKLO-KFEXUMGBSA-N 444.560 4.673 30 10 IJEE COc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O 252616407 KAEHYEGDAYMTGL-NRFANRHFSA-N 431.517 4.860 30 10 IJEE COc1ccc2c(c1C)CCCC2=NOC(=O)c1ccccc1I 252632393 VSMRJZXWNPEWFY-UHFFFAOYSA-N 435.261 4.506 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1C12CC3CC(CC(C3)C1)C2 253573061 QYNSMPNVCDMUIX-UHFFFAOYSA-N 426.561 4.802 30 10 IJEE CC(=NOC/C=C/Cl)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 254846459 LRWILQKGFFGGOI-XRJBKNJNSA-N 443.308 4.715 30 10 IJEE C=CCC[C@H](NC(=O)N(C)C1CCN(c2cnccn2)CC1)c1ccc(C(F)(F)F)cc1 434290198 XNUABKHSYRRODL-FQEVSTJZSA-N 447.505 4.813 30 10 IJEE C[C@H](Nc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1[N+](=O)[O-])c1ccccn1 484178060 PKCJQWAZWVSRBM-HNNXBMFYSA-N 442.479 4.561 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 508911284 HXSONMURKLDJEQ-WZONZLPQSA-N 434.540 4.505 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(O)c2)ccc1OC 526516580 PVWSQIXJNDVCEI-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE COc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccc(C)cc3)C2=O)c1 526660174 PEHKOKKMOVZYGX-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1OC 526829465 KPWMFCAITVGYQZ-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE C=CCOc1c(Br)cc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc1OCC 538753754 FPABXEMHDVPIIX-VOTSOKGWSA-N 441.329 4.774 30 10 IJEE C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC1 549683265 YOXHRTHWRZUTMN-UXHICEINSA-N 445.567 4.738 30 10 IJEE O=C(N[C@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 585827250 WXOMKTBRRMWWNS-AAWPGGMSSA-N 437.754 4.780 30 10 IJEE Cc1ccc(CCCC(=O)N[C@H]2CCN[C@H](C(=O)/C=C/c3cccc(OC(C)C)c3)C2)cc1 585838072 FWLGOHDLFGNHEX-NJSCVUNBSA-N 448.607 4.624 30 10 IJEE N#Cc1cccc(CN(CCc2ccc(F)cc2)S(=O)(=O)c2ccccc2Cl)c1 586173003 MZVWUZOCNMKDKG-UHFFFAOYSA-N 428.916 4.784 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1 610304644 QOYGTKZNWMCDPT-VWLOTQADSA-N 436.515 4.585 30 10 IJEE COc1cc(Br)c([C@@H](C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1OC 698964330 LJNHNUSXQUIQEC-CYBMUJFWSA-N 440.298 4.578 30 10 IJEE C=CCC1([C@@H](Cc2ccc(F)cc2Br)NC)CN(C(=O)OC(C)(C)C)C1 722933643 KIGHITGVIAXFNH-QGZVFWFLSA-N 427.358 4.532 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1nccnc1-c1nc2ccccc2s1 735342266 ZIHCDBPQSPNRGY-UHFFFAOYSA-N 436.880 4.666 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2ccccc2CN(CC)C(=O)OC(C)(C)C)CC1 737022621 ZIHSXYBUQZGHTE-UHFFFAOYSA-N 430.593 4.606 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 744029188 PYEYWINAKJZTRX-IFXJQAMLSA-N 443.341 4.689 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 747205006 NQSWFWJLHIYWSD-KRWDZBQOSA-N 433.386 4.700 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2cnc(-c3ccccc3Cl)s2)CC1 747951542 CKGACKKKRKQWLO-HVPFBLEYSA-N 445.972 4.940 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@H]1c1cnc(-c2ccncc2)s1 753386450 ALKYVYNHZQEWJF-NRFANRHFSA-N 448.523 4.821 30 10 IJEE C#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 758636467 KGVWTRAOGPMKRL-QFIPXVFZSA-N 449.576 4.767 30 10 IJEE N#C[C@@H](COC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)Cc1ccc(F)cc1 772650982 FAUTYWBUJVYXAU-HNNXBMFYSA-N 432.373 4.854 30 10 IJEE N#C[C@H](C(=O)CCCCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787062050 FVPKKHAFYFHCBW-QGZVFWFLSA-N 448.306 4.640 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1)c1ccc(F)cc1 812897978 SUVFOALTGRNXHN-NRFANRHFSA-N 429.451 4.816 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Oc2c(Br)cc(C#N)cc2OC)cc1OC 1126956015 FSTALSODJXOUBB-SOFGYWHQSA-N 444.281 4.522 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CCC2)c1 1127751308 ZCRQCBYZWHQVGL-MRXNPFEDSA-N 432.973 4.640 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)c3c[nH]c4cc(F)c(F)cc4c3=O)c2)c1 1136241795 DPBKITQEJINCLV-UHFFFAOYSA-N 431.398 4.509 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(I)c(F)c1 1138257543 NSMPSBICZSDDRG-UHFFFAOYSA-N 425.241 4.580 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)c1ccc(C(F)(F)F)cc1 1151868171 WHOHQRFWWHUQAA-QGZVFWFLSA-N 431.462 4.883 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1OC 1165743485 IQPSFQKOJLVRLG-UITAMQMPSA-N 447.362 4.929 30 10 IJEE C=CCn1c(SCCOc2cccc(C(=O)OC)c2)nnc1-c1cccc(Cl)c1 1165890314 XAYJZAJSTPMHDA-UHFFFAOYSA-N 429.929 4.742 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](c2ccccc2OC)CC1 1175381311 MAJGJTAZINYUJM-HXUWFJFHSA-N 431.536 4.856 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2c3ccccc3C[C@@H]2C)cc1OC 1177515308 MIBGKQGOGMTQJB-INIZCTEOSA-N 431.374 4.563 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 1197585830 IVEDBURKIMSWJK-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1nc2ccc(I)cc2s1 1203758364 UDHLZANZUOLTHT-TXEJJXNPSA-N 425.295 4.616 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCN1CCc2ccccc2C1 1206195033 VNWDINAMVFCVPH-UHFFFAOYSA-N 444.373 4.584 30 10 IJEE C#C[C@H](NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 1216318585 WGTBUCGGYYBFAE-IBGZPJMESA-N 440.931 4.524 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)c1ccccc1 1224521378 GFBMWSZNZSEVLO-HRAATJIYSA-N 449.364 4.746 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1229989491 LQOBKSWGYAWAMI-KMDXXIMOSA-N 434.580 4.941 30 10 IJEE C#C[C@@H](NC(=O)N(CCc1ccccc1)Cc1cccnc1)c1ccc(Br)cc1 1230499076 QBUVSNYJJBLLBB-HSZRJFAPSA-N 448.364 4.973 30 10 IJEE C#CCN(C(=O)c1cc(Br)c(CC)c(Br)c1)c1nccs1 1265711467 XXXDBHJYYKQXEG-UHFFFAOYSA-N 428.149 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC1CCOCC1 1286282364 PHYINJKWTLIPIK-QGZVFWFLSA-N 445.405 4.681 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CCCC1 1286323118 FYQRDGXPCNWSJL-FQEVSTJZSA-N 443.636 4.965 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1286510183 LCUJUJDVJBRTBW-HDICACEKSA-N 432.684 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)CCC(C)C 1286527707 OWZANGLAJSKSHA-RPWUZVMVSA-N 445.007 4.690 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)CCOc1ccc(Cl)cc1 1286547337 OHYVRXDWRDZKDQ-WFXMLNOXSA-N 432.996 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1OC 1286583140 JNBLQPQTUAVMIB-HSALFYBXSA-N 447.624 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccco1 1286621683 HOKOXPMHWXBEAQ-AWEZNQCLSA-N 436.741 4.733 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286623333 FUTWDRZGRMHTSN-ZDUSSCGKSA-N 446.727 4.660 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1286648453 DPYJXSDKJIQTOM-PGRDOPGGSA-N 430.980 4.728 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 1286665750 NOELRPQTHKUVHR-DEOSSOPVSA-N 437.632 4.519 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286685005 PUGMCDWTMUCPGJ-OAQYLSRUSA-N 446.599 4.735 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC)C1 1286701132 RMRBAIOKGSTHER-LJQANCHMSA-N 434.588 4.658 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(c2ccsc2)CC1 1286769929 DPPAIAUHGHAMBN-UHFFFAOYSA-N 432.391 4.678 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Oc1c(Br)ccc2ccccc12 1289516300 CKCJUSRCOSBCFW-UHFFFAOYSA-N 425.282 4.730 30 10 IJEE COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cc(F)c(C#N)c(F)c1)CC2 1290534573 HNHXLUPQIMTXFS-DEOSSOPVSA-N 434.442 4.642 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCC(=O)N(CCC#N)Cc1ccccn1)CC1CCCCC1 1293065725 HTZFOYKWHZVZMP-OAQYLSRUSA-N 442.604 4.968 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](c1ccc(C)cc1)c1cccnc1 1293101482 LRYOEOGUVSPXRL-DHIUTWEWSA-N 435.568 4.635 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1300281095 HHTFAVUFXUEDSH-NRFANRHFSA-N 442.611 4.645 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H](C)c1nccs1 1300357929 BUQVXDBUAKXQNA-SFHVURJKSA-N 432.597 4.937 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1300373237 SVESDHCZTYBIBH-NRFANRHFSA-N 426.630 4.934 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1300392293 QVJSRCRZGPTEFB-SFHVURJKSA-N 441.988 4.654 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](SC)C1 1300399350 JBEOETDQMZWYPV-INIZCTEOSA-N 433.419 4.843 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCSCC(F)(F)F 1300440959 CDSDTECDVBVXCL-UHFFFAOYSA-N 428.549 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1C(F)(F)C12CCC2 1300565537 QYCFUILRQMGGDQ-SFHVURJKSA-N 432.877 4.636 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1300601630 JLVQIQMWLNSRHO-RNHFSVANSA-N 441.595 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1300876630 UTIRABAPGOYOGV-DYXWJJEUSA-N 430.618 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H]2CCCN(c3ccccc3)C2)nnc1C(C)(C)C 1300896200 COKDJBYMOUVUMB-PUHATCMVSA-N 437.632 4.662 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCCCC2)CC1 1301127880 WTZRXGQIYBYGTG-UHFFFAOYSA-N 428.024 4.801 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1301135725 PMOVYPYOANIZMM-IRMYBRCSSA-N 443.680 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1301159096 VEPLHGIGYKPUFV-KRWDZBQOSA-N 431.993 4.555 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1301165149 DJFBJVBBRVTXQR-DEOSSOPVSA-N 444.627 4.591 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1301165150 DJFBJVBBRVTXQR-XMMPIXPASA-N 444.627 4.591 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1301176370 XXLLYHQRKAKAPI-HSZRJFAPSA-N 428.602 4.652 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1301228918 ANDVUOUKXCVKTF-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1cc(C(C)(C)C)no1 1301349597 QDHLONSTUQYLNW-UHFFFAOYSA-N 442.567 4.790 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 1301473912 NJQOSRJZHMSKCO-SFTDATJTSA-N 437.588 4.605 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1302151077 HFNLRNYWBWYTQW-RUZDIDTESA-N 437.588 4.703 30 10 IJEE C=CCN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1308611093 KSMSRYNYNHHXCF-INIZCTEOSA-N 427.900 4.586 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCC)c(C)n1)[C@H]1CCOc2ccc(Br)cc21 1311028356 AHBIMOYYNYJLLR-KRWDZBQOSA-N 444.329 4.542 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(Br)cc1 1312937606 REAUGFVRMIDXSI-AEFFLSMTSA-N 438.325 4.854 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)C1 1314597487 GPXWSMCPEPZQPP-ICSRJNTNSA-N 427.643 4.682 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(OC)c2Br)CCCN1C(=O)OC(C)(C)C 1343612417 WTRBXHBSCHXUGE-FQEVSTJZSA-N 439.350 4.742 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c(OC)c1 1351536602 FVAIHISRJXDWPH-HNNXBMFYSA-N 443.565 4.804 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1ccc(C)nc1)c1ccc2c(c1)OCCO2 1352839127 YWBDEDMCKPMDJA-JLHYYAGUSA-N 442.515 4.973 30 10 IJEE C=CCN(C(=O)[C@H]1COCCN1CC)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1352980642 FSQSJTZILACTLY-HSZRJFAPSA-N 433.577 4.717 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H](SC)C(C)(C)C 1358938408 AHKHJXZXHOLJRT-YLJYHZDGSA-N 430.618 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1=CCCOC1 1358988490 QWSXVUAFEVJIJF-UHFFFAOYSA-N 446.551 4.622 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cc(F)ccc12 1359014798 XDLKJBSHVQHSSX-IFMALSPDSA-N 437.563 4.519 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1ncc(CC)s1 1359052530 IHAZHDAHBIBPRW-UHFFFAOYSA-N 448.621 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCc1csc(C(C)C)n1 1359072608 KLNMRYPWIREVTP-RUZDIDTESA-N 449.624 4.714 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1)C(C)C 1359083498 LGWNVYOZICMJPC-KRWDZBQOSA-N 437.357 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@H](CC)C1 1359095437 OEFIEQXHCVENNA-HLIPFELVSA-N 433.021 4.912 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](OCC(C)C)C1 1359118204 UWVBKDUUVPNNTL-INIZCTEOSA-N 437.357 4.674 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](OCC)C1 1359128537 XDWLBJZVYKMVNX-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=C)c2ccccc2)CC1 1359161020 NBSAHFOYCWLFPC-UHFFFAOYSA-N 438.373 4.916 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OCCCOC)CC1 1359176961 VHOCFXVRXLNMOS-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359186584 LFXUJCBUMPQSAR-FQEVSTJZSA-N 440.979 4.512 30 10 IJEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359197305 KJQWPYAWAAEBRQ-UHFFFAOYSA-N 435.494 4.526 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C)C1 1359199255 PPRCJIHKKUSFHS-CQSZACIVSA-N 439.785 4.942 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCCN(C(C)(C)C)CC1 1359309115 IPAZRJJXRYRSGH-HXUWFJFHSA-N 425.621 4.715 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc2c(cc1OCC)C[C@H](C)O2 1435013307 HCKLIHJHAQCDDA-AWEZNQCLSA-N 435.442 4.922 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(Oc2ccncc2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1435901568 TUAMNEGIWMKCHI-DEOSSOPVSA-N 444.531 4.985 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3sc(C)nc3C)cs2)CN(C(=O)OC(C)(C)C)C1 1443509182 OUZQTNHTMABKGF-UHFFFAOYSA-N 434.587 4.635 30 10 IJEE C=CCn1c(SCCCNC(C)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1458750818 FTNACHOILWQGFR-QGZVFWFLSA-N 432.659 4.962 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 1461050586 DZQCNBXUOMMOBX-NQIIRXRSSA-N 430.470 4.617 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1OC 1461688472 VYTFNMBRBWFBFY-KRWDZBQOSA-N 439.314 4.601 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nccn2C)cc1 1463978008 MTUQGHKJKLKOJT-MRXNPFEDSA-N 436.965 4.546 30 10 IJEE C=CCN(C(=O)c1cc(F)c(Cl)c(N)c1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1466892912 FIEWZIJNPRLCIK-MRXNPFEDSA-N 439.314 4.517 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(OC)c(Br)cc1Cl 1467063745 QDAIGVWEFVQCOB-UHFFFAOYSA-N 443.725 4.807 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 1468804870 PIGIOHXNOTXYRV-LEWJYISDSA-N 443.494 4.790 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(Br)c3Cl)CC2)cc1 1470525032 HKCRRVZWBQJXFM-UHFFFAOYSA-N 430.733 4.973 30 10 IJEE C#CCN(C(=O)NCC[C@H]1CCC(C)(C)CO1)[C@@H]1CCOc2ccc(Br)cc21 1471466211 JGKDJUYHIJZAHZ-IEBWSBKVSA-N 449.389 4.513 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CC)c3cccc4ccccc34)ccc2c1=O 1471917297 QHDVLHTVOCBODG-OAQYLSRUSA-N 429.545 4.906 30 10 IJEE C=CCn1c(SCc2ccc(N3CCOCC3)cc2)nnc1-c1cccc(Cl)c1 1473008937 MIFKECXVXFECCQ-UHFFFAOYSA-N 426.973 4.913 30 10 IJEE C#CCN(CC(=O)Nc1ccc(SC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1473168780 RNYSTWPCCQQTAW-LJQANCHMSA-N 445.382 4.569 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(Cl)cc2Br)cc1 1474261782 CUVLVWHUDXQEET-UHFFFAOYSA-N 429.767 4.521 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(I)cc1Cl)c1ccc(F)cc1 1475867260 OXXSMAUYVKVRNI-AWEZNQCLSA-N 428.632 4.580 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c(F)c1 1477085924 FYFOTFFHZGQNSW-UHFFFAOYSA-N 434.446 4.983 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCCC[C@H]1Oc1ccc(OCCC)cc1 1477862676 PJYGPWRLIKVFMK-UKILVPOCSA-N 436.552 4.677 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1478915644 NFSYIWOIVUBTGO-HXUWFJFHSA-N 439.531 4.890 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](CC(C)C)N(C)C 1507524841 XOEDSEQZZHSHSK-QUCCMNQESA-N 427.662 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(C)CCCS1 1507544153 YSNCLCYNZNJIQV-MBSDFSHPSA-N 447.048 4.995 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccccc1OC 1507681005 PSKGSZQPWSMYAO-GOSISDBHSA-N 434.609 4.842 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCC[C@@H](C)C1 1507748804 UPGJKALAYVXKMP-LJQANCHMSA-N 442.629 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1cccc(OCC)c1OC(F)F 1507770065 JKKQGTBOGNGNDZ-HSZRJFAPSA-N 432.515 4.517 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC(C)C)CC1 1507834796 QIPDPJKMKHFZRH-UHFFFAOYSA-N 438.403 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1507911426 GYSIEWNFZBQQFV-JOCHJYFZSA-N 446.643 4.987 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1507995142 FGWAPABDFMEVMF-UHFFFAOYSA-N 441.576 4.953 30 10 IJEE Cc1nc(C)c(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)s1 1511485145 AKMZNSFJWHQVEV-UHFFFAOYSA-N 434.594 4.831 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@H]2C)[C@@H]1C 1512137953 CQGIDWFNHLHOBL-VAWZGJIGSA-N 437.588 4.559 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C(F)(F)F)cc1 1521344406 STUVVIBNHUNZRR-ICSRJNTNSA-N 433.401 4.506 30 10 IJEE C#CCN(C(=O)[C@H](C)OCc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1521819844 USXNIXAYCJCZDV-UWJYYQICSA-N 442.353 4.648 30 10 IJEE C=CCN(C(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1522118990 JKDRINHYYIOAPQ-RTBURBONSA-N 442.581 4.856 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CCCC1(C)C 1524695243 AJCJJUAFQRWGAQ-HSZRJFAPSA-N 446.547 4.698 30 10 IJEE Cc1cc(C)c(C#N)c(NC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)n1 1531692076 BNPWMURBMRFVIC-UHFFFAOYSA-N 428.323 4.861 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1535140360 OPOWGKLOXAUDIK-NRFANRHFSA-N 431.330 4.668 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(OCC2CC2)c1 1538973818 QFFJJOZLDTVISA-WMZHIEFXSA-N 429.568 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)COCC 1538985058 VONPFPBZUFPFLA-INIZCTEOSA-N 433.394 4.537 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1539854574 GCYOOQUIABQHKD-WIYYLYMNSA-N 429.634 4.632 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1539878232 WLXHKOCRBIOMRJ-HSZRJFAPSA-N 426.948 4.810 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCOC1 1540133551 HKKIJSWLVAFMDY-KRWDZBQOSA-N 441.938 4.752 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CCCN1CCC(C)CC1 1540136903 MGYUJSKGCCJHHN-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1c(F)cccc1F 1540913132 JGJJROOENAGKAE-UHFFFAOYSA-N 429.540 4.872 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1 1543619766 HSZJSSZCXZGNCU-NRFANRHFSA-N 444.579 4.831 30 10 IJEE COCCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)CC1 1555433171 BNLPUJBKZPWSLT-FQEVSTJZSA-N 437.588 4.592 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F 1558506666 AYCYZNSSJBPQAN-INIZCTEOSA-N 433.348 4.752 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(O)c(Br)cc2Br)cc1 1558974934 FQSCBFUUMUWZPG-UHFFFAOYSA-N 439.103 4.572 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc1C(F)(F)F 1561476175 FIZPXDPVRMIUKL-UHFFFAOYSA-N 448.388 4.606 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C 1565445038 QWMIEPKWQUONMG-NRFANRHFSA-N 447.624 4.731 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(Br)c1O 1570278679 BSQIZLNUDZLNND-CQSZACIVSA-N 439.147 4.834 30 10 IJEE Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(Br)c(C#N)c2)cc1 1584021751 HNWIZDMNHBKUDZ-UHFFFAOYSA-N 440.297 4.686 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)C1 1584653379 KBRJOABIRTXGEQ-ZDUSSCGKSA-N 429.364 4.785 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 1585415969 KABVCDVHFHCNCR-JKSUJKDBSA-N 443.769 4.758 30 10 IJEE C#C[C@@H](NC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1)c1ccccc1 1585925201 WYDZUCIQGBUVQJ-CQSZACIVSA-N 448.185 4.930 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1Cc1cccnc1OCCCC 1588284170 NCZRDCJYOJCLGS-UHFFFAOYSA-N 429.524 4.773 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)C(C)C 1593718431 YBSAXWJRUNGUCI-UHFFFAOYSA-N 437.382 4.544 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2csc(CC)n2)CC1 1594127649 CWFRSMCKNVNVQO-UHFFFAOYSA-N 429.977 4.734 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1594582560 RFAJKCFIJZJEDG-UHFFFAOYSA-N 433.959 4.541 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCc1ccc(-n2cccn2)cc1 1595244020 OTHDCMAJZRXDBH-UHFFFAOYSA-N 444.583 4.832 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)C 1595267353 SDJBCESMQRWZBO-KDURUIRLSA-N 443.592 4.533 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(Br)cs1 1596182584 ZGBOYUUQORKATF-ZDUSSCGKSA-N 437.787 4.505 30 10 IJEE C=C1CCC(C(=O)N2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CC1 1596467857 ZYCWFTMWNXDNIN-INIZCTEOSA-N 448.489 4.707 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCOCC(F)(F)C(F)(F)F 1596886286 IJDHYHBMXZZUSQ-UHFFFAOYSA-N 432.183 4.557 30 10 IJEE COc1ccccc1-c1[nH]nc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C 1607414586 HKZRWZNKCWSWKE-UHFFFAOYSA-N 428.448 4.690 30 10 IJEE C=CCn1c(SCCNC(=O)C2CCCC2)nc2cc(-c3ccccc3)sc2c1=O 1613380382 KAWPMJPXWLKDDF-UHFFFAOYSA-N 439.606 4.710 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccc(F)c(F)c1 1617339624 YXUYKHBTFLDKOJ-HXUWFJFHSA-N 434.508 4.537 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1 1617499508 CHSQBMJSVDFYQS-NRFANRHFSA-N 441.645 4.991 30 10 IJEE CC(C)Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C2CC2)cc1 1621728655 ADLYPUCXOSBKFS-OAQYLSRUSA-N 447.398 4.949 30 10 IJEE C=CC[C@H](NC(=O)c1oc2ccccc2c1COc1ccccc1Cl)C(=O)OCC 1624931946 POGYTKBLJJWZCO-SFHVURJKSA-N 427.884 4.903 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(F)c(F)c1 1634434566 DOFCJGPELLPDOY-MSOLQXFVSA-N 432.433 4.973 30 10 IJEE C#CCN(C(=O)c1ccc(SC(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634813995 IXQDBZWCQMWQBB-UHFFFAOYSA-N 442.503 4.773 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2ccc(OC)cc2)C1 1636095557 PAWOXFNEZQKDON-IRLDBZIGSA-N 430.589 4.726 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N3CCCC[C@H]3COC(=O)NC3CCCC3)c2)cc1 1637284021 GFRFHPCLQVDAPJ-DEOSSOPVSA-N 446.551 4.965 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 1637848009 FTGWGQYXUDRISQ-SFHVURJKSA-N 426.973 4.625 30 10 IJEE CCOC(=O)[C@@](C)(CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)CC(C)C 1639006145 CHFATQFSLDGRLK-XMMPIXPASA-N 426.488 4.835 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C(C)C)c(C(=O)OCC)s1 1641398505 TWKMLLMTXJQDLV-AWEZNQCLSA-N 439.578 4.631 30 10 IJEE C=CCn1c(S[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nc2ccccc2c1=O 1643438326 LKPJUJKOVIKFOV-JOCHJYFZSA-N 433.577 4.827 30 10 IJEE C=CCn1c(SCc2ccnc(N(C)C)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652349404 XPJYHKGSAXWQQL-AWEZNQCLSA-N 426.611 4.522 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2ccc3c(c2)oc2ccccc23)cc(OC)c1OC 1661721794 MJTLQIHFGLHVRK-UHFFFAOYSA-N 437.517 4.810 30 10 IJEE C=CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1Oc1cccc(Br)c1 1661874692 ZUJCTQKMWZQQFW-CQSZACIVSA-N 425.710 4.953 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)ccc1OC 1662648445 WDBUSWQODDIAOZ-LEWJYISDSA-N 434.502 4.770 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)cc21 1664933008 FVNUQMKWIZJGLQ-PDFPEKILSA-N 439.560 4.522 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cccc(CN(CC)C(=O)OC(C)(C)C)c2)cc1 1669247117 HFRUJQKUUORZEQ-UHFFFAOYSA-N 437.540 4.777 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C2CCC(C)CC2)CC1 1670845109 IBXCOQPFQIKQKJ-UHFFFAOYSA-N 436.394 4.742 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2Cc2ccccc2Br)CC1 1678370521 PDMCPHNXNCZHQX-HXUWFJFHSA-N 434.422 4.596 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)c1ccccc1 1684989080 OGWKZIXEUQEFGH-RUZDIDTESA-N 448.611 4.612 30 10 IJEE C#CCN(C(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2)[C@H]1CCCc2ccccc21 1687274279 IAUJEUGZIJTUPJ-HLTVDCFTSA-N 437.584 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1689828286 MUZSCGZOLKILCF-NZQKXSOJSA-N 444.627 4.998 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccccc1Br 1690208888 BNCGOIHRZRNCBV-OAQYLSRUSA-N 441.398 4.733 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CCC 1690238322 HXDIDSUSRPHZFI-LEDOBFOHSA-N 434.588 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)(C)CC1 1690255523 RXPCOCOCZFIPRT-JSXRDJHFSA-N 430.637 4.804 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CCC)CC2)CC1 1690412297 LFQCMKMSJTVHSZ-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@@H](C)[C@H]1C)c1ccccc1 1690445113 RRUDHIBMOQWWFX-ZRCGQRJVSA-N 433.625 4.954 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCCC1CCOCC1 1690558561 UYAMNKWRJCGWNC-UHFFFAOYSA-N 444.583 4.555 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1OCCC1(C)C 1690585376 JGFRYKDXJNYVFE-SFHVURJKSA-N 431.378 4.701 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)N[C@@H](C)c2ccccc2)C1 1690699920 LFDBWJONLSKFCR-RBBKRZOGSA-N 439.648 4.777 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1nc(C)c(C)s1 1705481916 OWFPTCUMIGBXFT-GJZGRUSLSA-N 439.654 4.905 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1705529782 OTSMVCVAQZYXGO-QGZVFWFLSA-N 430.936 4.790 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OCC)cc1 1705689416 LYHBTAVDFUDHRK-UHFFFAOYSA-N 447.402 4.874 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Oc2ncccc2F)CC1 1705722072 SLSGHNIFFRXZFC-UHFFFAOYSA-N 445.901 4.896 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CCc2ccc(OC)c(Br)c2)CC1 1705782898 LPLWMPFEGWNYNQ-UHFFFAOYSA-N 447.421 4.893 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705788604 GNLBWJIQSFZAQT-GOSISDBHSA-N 440.617 4.789 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)C1 1705789275 FJHQBMIDKIXYTQ-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CC)C1)c1ccccc1 1705797769 CBIQNTHHVRVFQM-IFMALSPDSA-N 437.613 4.609 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1cccs1)N(C)C 1705833981 BEWNLEIUBHCAGO-LPHOPBHVSA-N 429.565 4.544 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1OCC[C@H]1C)C1CC1 1705849983 BQCPHIPNSCQJRV-DNVCBOLYSA-N 431.378 4.596 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1705851334 CVORTWDUPQRXST-UHFFFAOYSA-N 433.556 4.729 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H](OC)C(C)(C)C 1705868403 MHBPFDSDAMCQMF-FQEVSTJZSA-N 425.602 4.579 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCc1cccc(C)n1 1705878439 PFHSWVRSNOQGLJ-UHFFFAOYSA-N 438.579 4.830 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1705885068 GVEFPNPPXSECML-KNQAVFIVSA-N 445.677 4.650 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccccn1 1705940483 GNMZJCLBHJAHOI-UHFFFAOYSA-N 444.402 4.658 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC#N)CC1)Oc1cccc(F)c1 1708789132 BIEXENQJSRCHQY-NRFANRHFSA-N 448.546 4.775 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C 1722320962 PWFXTAWYFQLMGF-UHFFFAOYSA-N 429.977 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C1CCCCC1 1722474927 MKWIYRFLURDWJA-FJIJVGMHSA-N 442.648 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cc(C)cs1 1722495878 ULMPAWRVCVAEOC-SIKLNZKXSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC(C)(C)C1 1722497504 WXYPHBZLBPKRRO-DENIHFKCSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(Br)s1 1722519393 DXBKIBRVRWSBIU-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCSC2)C1 1722521013 YLPSQQNVJXUCIU-KRWDZBQOSA-N 425.421 4.679 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CC=CCC1 1722522868 ILRXWUPBNUMLGJ-IBGZPJMESA-N 432.572 4.605 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOc2ccc(Cl)cn2)CC1 1722563423 ZUFHCWDOCHTMQN-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)C2CC2)CC1)c1ccccc1 1722595486 WRWZZABOVRLVQU-DENIHFKCSA-N 435.616 4.647 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1OCC(F)(F)F)C1CC1 1722650245 UAGACALYZYBWLD-UHFFFAOYSA-N 443.473 4.793 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCC[C@@H]1C)C1CC1 1722653473 DDIIYEPYAIICLP-SIBVEZHUSA-N 438.616 4.861 30 10 IJEE C=CCN(c1nnc(COc2ccccc2OC)n1CC1CCC(F)(F)CC1)C1CC1 1722653496 FGMHFCIURXIQGZ-UHFFFAOYSA-N 432.515 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1ccc(N(C)C)cc1 1722662186 HDJFUCZNHVMRSL-JOCHJYFZSA-N 437.613 4.692 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[C@@H](F)C1 1722676206 VMZWMEBGBGZNQQ-PKOBYXMFSA-N 439.491 4.820 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1722688159 OTUTYGDEGSCSKS-XZOQPEGZSA-N 437.632 4.751 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nc(C)c(C)s1 1722689818 HGQCSXQLAQOJLJ-UYAOXDASSA-N 429.634 4.691 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCC(C)(C)C)C1 1722713995 FHMJZWNGRFAPPG-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](SC)C(C)(C)C)C1 1722722440 OGUGHYXWJCMWLT-PMACEKPBSA-N 448.608 4.555 30 10 IJEE CC(C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)c1cccnc1 1723123984 DWUZNTAPXGWNEI-JYFHCDHNSA-N 446.574 4.730 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC#N 1723235072 AGGNEXXSUQGORC-AYBZRNKSSA-N 446.393 4.507 30 10 IJEE Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1 1724120311 ABJDLPKCFQOCFK-SFHVURJKSA-N 441.482 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(F)(F)Br 1740539213 NXMBJPIJIAXBMK-LBPRGKRZSA-N 443.361 4.721 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1740583831 AQXLZYFUHJQZKD-UHFFFAOYSA-N 436.991 4.742 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccsc1 1740590556 NANKSOMURYVYMI-IBGZPJMESA-N 443.617 4.504 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)Cc1cccs1 1740606079 PJEOMAFZNKFGLT-HNNXBMFYSA-N 429.387 4.717 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1cccnc1)C(C)C 1740631906 DSHLIZWIEJADNZ-RUZDIDTESA-N 448.574 4.709 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](CC=C)c1ccccc1 1740726396 ZETZXDYCSYEPLC-MVNQZMKCSA-N 448.611 4.671 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCCC1(C)C 1740766799 LTHLZUBEAPYWAC-HOYKHHGWSA-N 430.568 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](F)C1 1740774271 PLJXLFLHGFSJLT-QUCCMNQESA-N 449.615 4.933 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2csc(CC)n2)CC1 1740842729 KDJUVBJQAXZTFX-TZIWHRDSSA-N 443.661 4.861 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740871129 RKFYBRSJAFXEBH-DLBZAZTESA-N 448.409 4.645 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccccc2)CC1 1740886420 GWBNCDPHADHCFV-UHFFFAOYSA-N 437.613 4.611 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1740908678 HFXIWBXYBYVNEX-UHFFFAOYSA-N 443.473 4.765 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2csc(CC)n2)C1 1740976496 XBXNFAQHNJCHGD-NRFANRHFSA-N 437.613 4.550 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2[C@@H]2C[C@H]2C(C)C)C1 1740985260 OXQGFHLDIBGHFM-GBESFXJTSA-N 428.602 4.577 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1740996263 KFIKIPHHXYMJPM-HZPDHXFCSA-N 442.555 4.768 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740998328 MUAZYZOFRJMSRT-LJQANCHMSA-N 433.021 4.771 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1741000198 VVSWOOWPRRSSDT-HNNXBMFYSA-N 429.540 4.605 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCCN1CCCC1 1748647114 IZWJDBCAATWKKG-NRFANRHFSA-N 430.600 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)c1ncc(C)s1 1748655737 FFIMWWHNXWHGMO-ZIAGYGMSSA-N 429.977 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1CCCCO1 1748659417 HBPGQXQVCAMSKV-SJORKVTESA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@@H](CC)C1 1748703774 ZKUOGPJNWHIBRW-RDJZCZTQSA-N 449.368 4.654 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(C(C)(C)C)CC1 1749090639 RCZQQAXWVWTEIQ-UHFFFAOYSA-N 446.349 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749357624 XJPZBQLARNJWEE-UHFFFAOYSA-N 435.616 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)C1 1749366244 AMHSORRVSIYRBM-GOSISDBHSA-N 431.625 4.841 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749404359 WWPCQDFYDKPLBS-SFHVURJKSA-N 444.004 4.913 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749528405 OIMHPDCVLGLVNT-FNZWTVRRSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)s1 1749529591 IHQBSJFYBVKLKE-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1ncc(C)s1 1749531673 OUCITJDQDWUQOJ-KRWDZBQOSA-N 443.580 4.906 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1c(Cl)cccc1OC 1749587282 NWGWRNUVDRDULE-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1c(Cl)cccc1OC 1749590231 UNIYVQXKGCPSIP-OAQYLSRUSA-N 442.947 4.668 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OCC2CC2)C1 1749763792 IXKJSGVHCWLVNU-PWRODBHTSA-N 448.677 4.511 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1752113815 BLCGNEHHVKIJJA-NQIIRXRSSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1760115431 GLCDXJYTLYMZPT-RXVVDRJESA-N 426.992 4.862 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@@H]1C 1760352745 XFUYOLSPEWSONV-RTWAWAEBSA-N 442.604 4.631 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1760412493 LUJIYIPNOFKSEK-ZWKOTPCHSA-N 430.980 4.695 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ncc(C)s2)CC1 1760441433 HYQMFAJPFKQCHI-UHFFFAOYSA-N 428.631 4.749 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760561334 XMJIFISQKOCZDU-KRWDZBQOSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(F)ccc2C1 1760561710 JTJNQUXBMKQHLO-UHFFFAOYSA-N 429.952 4.615 30 10 IJEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1ccccc1C 1760572163 UYKVXUUSBJVVTF-BVSLBCMMSA-N 442.629 4.571 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CCCCC2)cc1C 1761806734 CQEMLXHHMDMUAT-VWLOTQADSA-N 434.588 4.858 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCO[C@@H]2CCCC[C@@H]2C)c1 1762008828 CYTYJVWNOGIPOM-NZQKXSOJSA-N 437.588 4.501 30 10 IJEE CCOC1CC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](SC)C2)C1 1767652174 GEAUFOAPHQSFTA-VTLFHKLASA-N 439.629 4.744 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 1859555256 DHSCBIXZJLZVAC-UHFFFAOYSA-N 449.532 4.667 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C1CCC(C(=O)OCC)CC1 1860021986 MHQZITLOXLJRFV-UQPPLGOBSA-N 428.356 4.897 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N[C@H](c2ccccc2)c2nc3ccccc3[nH]2)c1C 1860322565 UNHPZMWYMXVTRR-RUZDIDTESA-N 427.552 4.791 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028830 QQVFIJFZBGIMRI-GOSISDBHSA-N 425.957 4.869 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862408862 WLOBOGVGDDISKU-DEOSSOPVSA-N 448.563 4.764 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1862432354 CDEKSAXOKNZJNH-IBGZPJMESA-N 434.319 4.997 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1862451985 RJVAJCBRGLQGOH-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl 1862509132 YKBKAPKYWSVLME-GOSISDBHSA-N 438.282 4.666 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(O)c2)cc1 1862531587 ACAVVKQUBJYCBI-QHCPKHFHSA-N 431.463 4.872 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)ccc1O 1862549307 MGMXGXDAHLEUMM-QHCPKHFHSA-N 435.520 4.514 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc3ccccc23)cc1OC 1862575098 XUERWDZHKOOLJZ-QHCPKHFHSA-N 431.488 4.844 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1862583061 RVHYVUWQFHKUDW-SFHVURJKSA-N 448.302 4.926 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862591583 JUYLWAYTZTTXOI-XMMPIXPASA-N 443.499 4.796 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1OC 1862655187 BJWLMFPRLCWAIA-QHCPKHFHSA-N 429.472 4.598 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862672535 CPBIUGMPXFPCMK-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862678226 LVIWQYVZQNYULR-IVZQSRNASA-N 445.446 4.863 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1 1862689375 PFQIJNHXIZJKED-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(O)c2)c1 1862698443 HNNITYAJJIETFW-QHCPKHFHSA-N 433.504 4.870 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 1862735501 MKNXMQGQEXTVNE-OAQYLSRUSA-N 436.464 4.602 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 1862737759 LFKNTXAPTZGJGI-LJQANCHMSA-N 444.846 4.908 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863269399 CLCHMMLWTHZSEI-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3cccc(C#N)c3)nc(C)n1)C2 1868467369 XACNPQHTEUFKOR-UHFFFAOYSA-N 429.524 4.715 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(C)(C)c1ccc(C)cc1 1868731158 ASFSBQQVKGAMQT-RUZDIDTESA-N 432.608 4.981 30 10 IJEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN(CC)CCc1ccncc1 1870380444 HXFXULQDOFFQSK-UHFFFAOYSA-N 445.607 4.998 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2ccc(OCCCC)cc2)cc1=O 1870838886 ZJAUKBULCNYTQF-UHFFFAOYSA-N 430.589 4.981 30 10 IJEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(OCC)cc2)cc1=O 1871006894 ANSKGYUAQDYUGE-UHFFFAOYSA-N 430.548 4.894 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(-c4ccccc4)cc1)O3)CN(CCCO)CO2 1871347581 IXUUFSUKNTWGCO-IWIPYMOSSA-N 427.500 4.813 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(F)cc1 1872102141 NMGVKLYTQJNMIJ-QFIPXVFZSA-N 443.544 4.681 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872221434 KFNXZTBFQOWYNO-JOCHJYFZSA-N 428.598 4.968 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660560 NZMMOUCJRWIJDG-UHFFFAOYSA-N 441.535 4.905 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)Cc1ccccc1Cl 1873685318 JXJPJDSRIUEMAC-UHFFFAOYSA-N 442.968 4.958 30 10 IJEE N#Cc1ccc(NC(=O)C[C@H](CN2Cc3ccccc3C2=O)c2ccc(Cl)cc2)cc1 1873867845 ZSKLLYGQRNSBIC-HXUWFJFHSA-N 429.907 4.980 30 10 IJEE CCCCCCCCNC(=O)Cc1csc(Nc2ccc(Cn3cncn3)cc2)n1 1873886346 QZGSOCKYHIZPIT-UHFFFAOYSA-N 426.590 4.546 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc(OC)c1 1874236353 FAUYJWMSIYDASP-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccc(O)cc2)CC1 1874287508 IRXBBPUMOOMTMW-OEAKJJBVSA-N 430.574 4.595 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1c(OC)ccc2ccccc12 1874295137 LZBGXWRUMPGRDG-BUVRLJJBSA-N 447.520 4.933 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cc(OC)ccc1OC 1874300599 VHPWCPSYOGHZSQ-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)c1 1874308073 DWMDIZMFELFHKO-CVKSISIWSA-N 435.528 4.714 30 10 IJEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874351006 PFUJPCHSSMTHMR-NLRVBDNBSA-N 444.560 4.800 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccnc2)c1 1874451604 HIEZMTNHUXDIDJ-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC)cc2OC)o1 1874588215 WLDAYABSSFWZKA-UKTHLTGXSA-N 436.460 4.949 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)c1 1874593929 IWFYPYRTUNVXDA-ZRDIBKRKSA-N 435.451 4.757 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)COc1ccccc1 1875113211 UWTSOZXITVVZDG-OQLLNIDSSA-N 432.472 4.974 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875163849 GUJINKAYUVSUQV-VMPITWQZSA-N 443.358 4.980 30 10 IJEE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)n1 1952526195 WINRTPQATDZINA-QHCPKHFHSA-N 441.487 4.644 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2009509416 KPBHYGPPUZOYTE-QHCPKHFHSA-N 431.508 4.860 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Cl)c(C)c(Br)c1 2048650305 RUEMGKRJMROAIR-MRXNPFEDSA-N 428.754 4.829 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CCC12CCC2 2057365610 ITNGVXYUEKWLQP-MHECFPHRSA-N 449.592 4.618 30 10 IJEE N#C[C@H](C(=O)c1ccc(Br)cc1I)c1cccs1 2086148644 DODVQCKXZHXLJM-JTQLQIEISA-N 432.080 4.605 30 10 IJEE COc1ccc(C#CCCO)cc1CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2095885949 VINDBGKVIBWFRN-UHFFFAOYSA-N 442.603 4.563 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2110507261 QUGOGGRJKIYCIE-ROUUACIJSA-N 443.813 4.930 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2118196333 GKQLFPFNTNFGQT-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C=CCC1(C(=O)Nc2cc(C)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2124499906 RZEAYYKJBCGXNL-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151267815 WBLOFZQFZOGBJS-OOSCYNTBSA-N 446.444 4.613 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@@H]2CCCC[C@H]21 2174815770 WZMQATYHNCYKNY-IAGOWNOFSA-N 438.341 4.828 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)cc1Br 2221902685 LWIRKFILKBSXHK-AWEZNQCLSA-N 431.396 4.637 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](O)C#Cc1ccccc1Br 2232074698 ZKTMISIANOPZEI-SJORKVTESA-N 442.419 4.587 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235733814 VCNDNXNCGLNMEX-AVRDEDQJSA-N 435.406 4.814 30 10 IJEE C#CC[C@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237390602 LTPCBVBSYWQVIW-YZGWKJHDSA-N 436.390 4.685 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](O)C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2240725769 KRBZNBSXCMVGAG-LMCOJAPRSA-N 434.374 4.730 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@@]34CCC[C@H]3CCN4Cc3ccccc3)CCC2)OC1(C)C 2267506363 WVAKHTHCPCMZLB-LVXARBLLSA-N 438.421 4.564 30 10 IJEE C[C@@H]1CC[C@](O)(C(=O)C#Cc2cccc(Br)c2)[C@H](OCc2ccccc2)C1 2296219617 QBBLITIJZZXCBE-ZQMYSKGWSA-N 427.338 4.506 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2ccc(Br)cc2)c2ccccc21 2296285186 ZFPFAHCOFYOYIS-QUCCMNQESA-N 428.326 4.700 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](N)C#Cc3ccc(Br)cc3)CCC[C@H]12 2296296203 LJJKUQFCLWYZPG-DXIQSLLYSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2296300743 LYXSNCFLHDZURU-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2297070324 CXUQWXBXLNJXMA-GLDPYIMESA-N 427.545 4.715 30 10 IJEE CC(C)COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 2297745057 SXPMDMSMFWTWLD-DEOSSOPVSA-N 442.515 4.738 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2318581956 DGXVNWVOJLCDPV-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccccc1OC(C)C 2320970962 IFGNZKCDRGGZSK-UHFFFAOYSA-N 437.569 4.549 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 2323388321 VYIMCEQADWFHNG-UHFFFAOYSA-N 429.428 4.976 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1ccccc1Cl 2323400502 QIKXKIYVWFIINM-IFMALSPDSA-N 435.008 4.572 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OCC(=O)OC 2323865656 HGAOJOGUUXAYSR-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc(O)c2CN(CCO)Cc1ccccc1 2324009909 BVABSAFDPBWSNY-UHFFFAOYSA-N 435.907 4.656 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)NC4CCCCC4)ccc3C2=O)c2ccccc21 2325325359 FXPKKYNGUQZNBR-UHFFFAOYSA-N 430.504 4.622 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)o1 2325396830 QFHHOEDTYKLIEO-UHFFFAOYSA-N 435.388 4.560 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)c(Br)cc1OC 2325703291 ZDGXJESQSNZJIL-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(OC)cc3)ccc2C1=O 2325731020 JEPFVIGBPRQGJV-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE CCOc1cc(C=Nn2c(CCCOc3ccccc3C)nnc2SCC)ccc1O 2327082556 BKBOQUQWRMWBOB-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccccc1[N+](=O)[O-] 2327114246 HCUMDPCIYVRTIX-UHFFFAOYSA-N 439.541 4.891 30 10 IJEE CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2327601341 OKPQFUUAFCQCIY-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2328567212 JWEXBVVCNCLJBF-UHFFFAOYSA-N 437.525 4.726 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2328568048 GFWAZJBCIWPPPT-UHFFFAOYSA-N 431.565 4.813 30 10 IJEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1 2330747921 MUSSUHGVBLVLOT-OAQYLSRUSA-N 429.310 4.992 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)c1ccco1 2331404513 NKTRPOOHNQMWLK-UHFFFAOYSA-N 446.455 4.903 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 2331440429 RDDPBGOTFMIJSZ-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(F)cc2F)cc1C 2331723914 OXIGKQNPIGCFHO-UHFFFAOYSA-N 441.507 4.664 30 10 IJEE CCCOc1c(C=NNc2oc(-c3ccc(Br)o3)nc2C#N)cccc1OC 2331936602 UHICAVDHICNBNG-UHFFFAOYSA-N 445.273 4.812 30 10 IJEE CCc1ccccc1NC(=S)/N=C(\NCc1cccc(OC)c1)Nc1nc(C)cc(C)n1 14156127 DWZOWLVXZWNMCY-UHFFFAOYSA-N 448.596 4.619 30 10 IJEE Cc1c(Cl)cccc1/N=C1/SCCN1C(=O)Cc1csc(-c2ccccn2)n1 23294468 ZDPFRWGCKWLBMR-HIXSDJFHSA-N 428.970 4.973 30 10 IJEE CCCCOc1ccc(CN2C(=O)/C(=N\O)c3cc(Br)cc(C)c32)cc1OC 39854024 WDLOPRHRGNEHSQ-NMWGTECJSA-N 447.329 4.670 30 10 IJEE COc1ccc(CCn2c(O)c(/N=N/c3cccc(C)c3)c(C)c(C#N)c2=O)cc1OC 39871080 ZMLULYSHRUBRCH-CYYJNZCTSA-N 432.480 4.718 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3OC)n2)cc1 59018810 LCTKNQMDHVIQOZ-LUILSVGHSA-N 438.557 4.504 30 10 IJEE Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3cc(Cl)c(O)c(Cl)c3)S2)c1 100262899 YLGVKMVIPXJUMZ-BXPXOOBPSA-N 438.336 4.598 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccccc1 102908730 LZBCTYNUIBKPOH-LCPUNJGISA-N 434.835 4.875 30 10 IJEE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NC(=O)Nc1sc2c(c1C#N)CCCC2 106481718 PORHUDKURQQBAT-GZTJUZNOSA-N 439.928 4.580 30 10 IJEE CCCCN(CCCC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccco1 136329427 VJBPJZXTHUQNPF-AYWGPLOBSA-N 438.568 4.994 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1cccc(F)c1 169940095 FUNAEWJAUNMQRM-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1cccc(C)c1 169970710 HUVODUQZPFEZTC-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccncc2)cc1Cl 170021855 PEEAOKIROPLGNY-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1c(C)[nH]c2ccccc12 170104320 RQAJIUZGKAQZPC-HSZRJFAPSA-N 444.487 4.837 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(O)cc2)cc1C 170132490 XDYYFTHQVUVNRK-HSZRJFAPSA-N 445.471 4.588 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170178492 UJOPJNSFOHWGQC-OAQYLSRUSA-N 445.862 4.655 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3cccnc3)ccc2O1 170188657 BNGJPPGHKCOHGT-PEBXRYMYSA-N 446.890 4.841 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC)cc1 170213103 OAKMAQCJNDHEFU-XMMPIXPASA-N 445.515 4.853 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1 170230755 BELMALQICMHESF-QHCPKHFHSA-N 428.488 4.649 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)cc1 170242015 HAFJNFCRNFWTNO-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 170246609 HXFCOJDRGNBAQN-SFHVURJKSA-N 434.275 4.710 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)c1 170249056 WROJCNUTTKZNAJ-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1cccc(F)c1 170270735 NRWXHZYYCTYHBQ-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)ccc1OC(C)C 170292734 ZHSOODOWLUEOPY-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(N2CCCC2)cc1 170396349 YYHWUFSIMLAFQV-XMMPIXPASA-N 439.515 4.773 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1c1cnn(C)c1 460382157 BPCDTUNGXXOEJN-GOSISDBHSA-N 447.370 4.815 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2c(F)ccc(F)c2C1 460567778 ZJKRUWSLLIIKIB-MBSDFSHPSA-N 436.506 4.940 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 517554473 RTZDUTUZKYHEKZ-JOCHJYFZSA-N 448.910 4.901 30 10 IJEE CC(=O)c1ccc2c(c1)CCN(CCC(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 534475797 SIBYYHLJQDPXEB-UHFFFAOYSA-N 435.593 4.521 30 10 IJEE C[C@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccc(C#N)cc1 536010659 AWLSHIUOJUUOOT-LIRRHRJNSA-N 445.304 4.771 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 573528089 RURJKTQLSPBUAB-HXUWFJFHSA-N 442.972 4.693 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(Cl)cn1 586214042 MGFKZPWILFVSCM-UHFFFAOYSA-N 441.940 4.628 30 10 IJEE CC(=O)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586253890 AEOSYBRAQYPYBA-UHFFFAOYSA-N 448.544 4.944 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 672239082 GYCOBUOFLAWVPU-UHFFFAOYSA-N 446.580 4.992 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(Cc2ccc(F)cc2)n1 727038488 KKXWZPUXRAPVCH-IBGZPJMESA-N 435.524 4.959 30 10 IJEE Cc1cc(-c2csc(=Nc3ccccc3C#N)n2Cc2cc3c(nc2O)CCC3)c(C)[nH]1 733075543 PMFSGIHKZNAOOM-UHFFFAOYSA-N 441.560 4.903 30 10 IJEE COc1ccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1C#N 775983799 PCCDYFXJBGTLKB-MRXNPFEDSA-N 431.336 4.688 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)c(F)c1 787201123 VWCYSFZUHUYPLT-UHFFFAOYSA-N 429.495 4.558 30 10 IJEE O=C(CCSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1cccc(Cl)c1 1084145539 GBIXQWAPVFLZNL-WGRQMYBISA-N 426.933 4.690 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1124145488 QUXPRXISLXYDQM-UHFFFAOYSA-N 432.432 4.735 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(CC#N)c1)c1ccc2c(c1)OCCO2 1124425732 DBUVFMFBEPHDIU-UHFFFAOYSA-N 440.499 4.936 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2csc(Br)c2)CCCN1C(=O)OC(C)(C)C 1125329354 NRJNBPJEVXGTRR-LJQANCHMSA-N 443.407 4.815 30 10 IJEE C=CCOc1ccc(OC(=O)c2cc(Cl)c(I)cc2OC)cc1 1126451486 LAAUEAVYIVLNLK-UHFFFAOYSA-N 444.652 4.737 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)c(OC)c1 1129876054 JNROBNNENHMOPD-UHFFFAOYSA-N 445.928 4.525 30 10 IJEE C=CCOc1ccc(C(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1OC 1137284896 CPJYUBORBRSDLT-KRWDZBQOSA-N 440.540 4.776 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)CCCN1C(=O)OC(C)(C)C 1138836040 WBZWMCAUSMZMHZ-OTPAQWSUSA-N 444.572 4.653 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 1154171023 DJKSAVFBANZGRD-JYFHCDHNSA-N 430.479 4.694 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 1154171024 DJKSAVFBANZGRD-OZXSUGGESA-N 430.479 4.694 30 10 IJEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1154244327 BKGLUJSOVMCIHW-AWEZNQCLSA-N 429.904 4.647 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1OC 1154571319 HQLMMNJWMDEHER-NXLSHAFYSA-N 431.891 4.666 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)ccc2c1=O 1182958745 DAOOXKKODWULHO-HXUWFJFHSA-N 441.503 4.517 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 1190621790 QILOEMXAILZYFM-KKSFZXQISA-N 439.499 4.975 30 10 IJEE C#CCN(C(=O)Nc1cccc(OCCC(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1199121792 CWSIKTYDCCOMQE-UHFFFAOYSA-N 443.588 4.978 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)OCC)c1)c1ccc(Br)cc1 1214832668 LBEMXLAUQANAAP-KRWDZBQOSA-N 435.705 4.775 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F)c1ccc(Br)cc1 1225548911 KNCBWOSNBBLSCO-ZBEGNZNMSA-N 441.247 4.924 30 10 IJEE COc1ccc([C@H]2CCCCCN2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 1234607513 FYZXHPCZJKYMTK-FOJYNEPKSA-N 448.567 4.979 30 10 IJEE N#Cc1ccsc1-c1nnc(-c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)o1 1257717416 IWKAKMYTXSZIGN-UHFFFAOYSA-N 442.909 4.791 30 10 IJEE C#CCO[C@H](C)C(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 1265077836 FMVZDDSIGHVJKP-MRXNPFEDSA-N 428.326 4.771 30 10 IJEE C#CCN(C(=O)COc1cccc(C(C)C)c1)[C@H]1CCOc2ccc(Br)cc21 1265211031 ZLBFNJDHKXZTCF-NRFANRHFSA-N 442.353 4.937 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCc3c(Br)ccc(C)c32)c(OC)c1 1266658121 WULPYLLVDVZWOR-UHFFFAOYSA-N 430.342 4.853 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2ccccc2)cc1OCC(C)C 1272193763 SOWRPQAMENFYRL-UHFFFAOYSA-N 435.572 4.903 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@H]1C 1286283498 XQIJANIZIBTSIO-QZTJIDSGSA-N 437.588 4.755 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286317232 PSRVMKJREIHQMG-NRFANRHFSA-N 447.627 4.541 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1286325100 WYCQQAUTDLJLDC-XMMPIXPASA-N 447.558 4.541 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCO[C@@H]1CCCC[C@@H]1C 1286366794 AZXGQDOSUXALBC-NZQKXSOJSA-N 448.567 4.782 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@H](C)C1 1286605597 PKDDVJYMBSJDCT-DLBZAZTESA-N 433.394 4.783 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1286662749 WZWSNTCCBKAVPM-UHFFFAOYSA-N 431.625 4.717 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(C)on2)CC1)c1ccccc1 1286677536 DMCGLSBJPNCHIV-NFBKMPQASA-N 448.615 4.770 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CC)C1)c1ccccc1 1286681990 ZNQOZGMWYIBCRK-FPOVZHCZSA-N 449.624 4.866 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CCN1CCc2sccc2C1 1286742931 RTYPPYDTJXCZJW-UHFFFAOYSA-N 446.624 4.586 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCCc1ccccc1F 1286749371 QHRORYGLYDLPAI-IBGZPJMESA-N 426.561 4.808 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@@](=O)CC 1286754256 OSYQSIKWJVEQLG-NDEPHWFRSA-N 435.018 4.760 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(Br)cc(I)c2C)cc1 1289617201 GCRIUCMRNBSIAH-UHFFFAOYSA-N 440.078 4.596 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC3(C#N)CCC3)c2)cc1 1299492283 FDWGDYAHLGPUKX-UHFFFAOYSA-N 439.581 4.562 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1300450834 XUGLWZQZKCSSQE-DYESRHJHSA-N 440.016 4.813 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1300545483 PTFPWDAGJAPYKV-VABKMULXSA-N 430.596 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(Cl)nc1 1300612046 RVICSWHYIIRFNJ-UHFFFAOYSA-N 447.926 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)(C)C)CC1 1300878068 ZRVVWTGLMGWVEZ-GMAHTHKFSA-N 449.599 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(Cc1ccco1)C(C)C 1300888559 KSURJJBROSQAMU-RDPSFJRHSA-N 438.547 4.997 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccc2F)CC1 1301067227 YJSSZFBQFRPCEG-RUZDIDTESA-N 442.579 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301138674 CCDPPQRIPAUQJY-OAQYLSRUSA-N 434.588 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](COC)C1 1301140720 AYYNNPWLOZPMCZ-SFHVURJKSA-N 426.561 4.529 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)c(C)s1 1301340130 VSBULKMWQNUUBI-NRFANRHFSA-N 448.596 4.706 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1301340554 IDANMFQIENFQJM-VXKWHMMOSA-N 434.632 4.834 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCC1CCOCC1 1301351181 LZKFXHCWSCFFCX-QFIPXVFZSA-N 428.552 4.668 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1Cc1cccnc1OC 1301359802 PKTMLLPDMWFIHH-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCO[C@H]1C(C)C 1301363311 QSIQUJYFDYEWBW-SJBKTWHCSA-N 444.645 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@H](OC)C(F)(F)F 1301371245 ADHBLGVDJZHNFG-FQEVSTJZSA-N 445.489 4.948 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCC1 1301391196 RMCKRMAXPXBJMA-SFTDATJTSA-N 441.620 4.927 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCc2ccccc21 1301425252 FJXBTLDYRHQEJP-YMPZKCBVSA-N 438.616 4.566 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1301618347 PUDSXKREVPTHIV-IBGZPJMESA-N 445.608 4.512 30 10 IJEE CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1305699102 FIBJYDHTZRTZOW-DEOSSOPVSA-N 439.604 4.809 30 10 IJEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCc1nc(C(C)(C)C)cs1 1306095692 BLZAMMGWMMOSEU-UHFFFAOYSA-N 434.613 4.878 30 10 IJEE C=CCn1c(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)nnc1-c1ccccc1F 1306920026 CDPYOTYSGOKLHN-UHFFFAOYSA-N 443.447 4.715 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1cc(Br)ccc1C#N 1307091483 WRUAFIVQNSVACD-UHFFFAOYSA-N 430.346 4.852 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)Cc1ccc(Cl)cc1Br 1309085357 GJQQAIWZMPXLNZ-UHFFFAOYSA-N 432.742 4.760 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCCC1(C)C 1311326619 GYSMZXOSNZSRPH-QGZVFWFLSA-N 434.587 4.543 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)c1cc(F)c(Br)cc1F)C(C)C 1311389310 REEBBSFQDWEWLI-KUHUBIRLSA-N 444.364 4.786 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCn2c(nnc2C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1312343693 STKOPPGDWQWZRV-QGZVFWFLSA-N 435.494 4.827 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1ccccc1 1348518575 GQDLSNBQRMJBEU-HSALFYBXSA-N 426.582 4.652 30 10 IJEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc([C@@H](C)CC)cc3)CC2)CCCCC1 1350013042 HUGBJGUDWRTFKE-FQEVSTJZSA-N 432.630 4.560 30 10 IJEE COc1ccc(-c2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c(F)c2)c(F)c1 1350521992 HDJGLVNJCBRDLM-UHFFFAOYSA-N 449.501 4.716 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 1353842202 QJRYFXVHUTWEAS-XYOKQWHBSA-N 427.220 4.908 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 1354096757 MMAYNIPIGRPTPY-XMMPIXPASA-N 427.479 4.749 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(F)cc1Br 1354629880 FJUBJRCYROFTEA-HNNXBMFYSA-N 428.302 4.504 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H](C)[C@H]2c2ccccc2)c(C(=O)OCC)c1C 1355007268 CRUJXRAHQHRNRT-RRQGHBQHSA-N 427.522 4.564 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c1 1358370384 JOSAGNAIHFTILT-DEOSSOPVSA-N 428.557 4.943 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1358913918 CGKMDKZMZVGXQC-NHCUHLMSSA-N 429.008 4.966 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCCC1(F)F 1358996430 FCDJMLWNNHUAPC-HXUWFJFHSA-N 435.522 4.639 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1C[C@@H](C)O[C@H](C)C1 1359002560 DTIBPOPFHUJZAU-HUUCEWRRSA-N 449.368 4.510 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC[C@H](C)N1CCCCC1 1359074281 XSTYENIXIJTSMI-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](C)[C@H]1CC 1359087410 DVZXAKQONLCTGI-NVXWUHKLSA-N 449.393 4.789 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)c1nccs1 1359108322 JLZDYHPGDWJTPF-KRWDZBQOSA-N 433.585 4.998 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccc(OC)cc1 1359109693 LAKRBJBTHFCZTK-KRWDZBQOSA-N 441.963 4.872 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1359111213 SEMOERKFHLAPSN-DHLKQENFSA-N 434.588 4.881 30 10 IJEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1359123833 QOLRKWOYRVXHJO-UHFFFAOYSA-N 449.624 4.712 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(C)CCCO2)CC1 1359159508 XXLSYTNSKHKNRG-DVECYGJZSA-N 426.561 4.542 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCSC2)CC1 1359161040 NQANLXIHKGZLHA-AWEZNQCLSA-N 437.382 4.756 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1359179657 AHEDXPVLFDYDLW-FQEVSTJZSA-N 439.623 4.921 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)c1ccccc1 1359194658 ZJEHOQHTDWXELL-XZOQPEGZSA-N 433.604 4.811 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCC1(F)F 1359278127 IYMSXMAKUIZSJJ-FQEVSTJZSA-N 441.526 4.918 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCSC1 1360480450 AAXMFJYDXPAETE-ZIAGYGMSSA-N 440.400 4.655 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)c2)cc1 1435696047 BDVIDORIRYQZJG-FQEVSTJZSA-N 449.913 4.938 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2nn3c(c2Br)CCC3)C(C)(C)C)cc1 1435953913 UDICIMKYDOHGTE-UHFFFAOYSA-N 432.362 4.598 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1 1436641537 SKKBHJWVLFCNND-INIZCTEOSA-N 446.341 4.942 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)OCc3cc(F)cc(N4CCOCC4)c3)c2)cc1 1437022558 GATCPCGRNQNZER-UHFFFAOYSA-N 432.451 4.683 30 10 IJEE CCOC(=O)c1cnn2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)cc12 1439648277 IFAIHYOHUXGQGA-UHFFFAOYSA-N 440.459 4.622 30 10 IJEE C=CCC1(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCOCC1 1446533380 ZIIXZPRBHMUDMC-DEOSSOPVSA-N 438.999 4.947 30 10 IJEE C[C@H](NCc1cc(C#N)ccc1Br)[C@H](OC1CCOCC1)c1ccccc1 1461352170 BMSFPIMUJNTVLJ-AOMKIAJQSA-N 429.358 4.736 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC(C)(C)C=C)ccc1Cl 1463302904 GBSFYKWNCXMYSI-UHFFFAOYSA-N 436.936 4.555 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(OCC)cc2)c(C)s1 1463750237 MOZUMJOSYSJPTC-SFHVURJKSA-N 443.569 4.762 30 10 IJEE C=CC[C@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C)c1ccncc1 1468886559 ZYPADJZPRJCSJG-QUCCMNQESA-N 428.577 4.520 30 10 IJEE COc1ccc2c(c1)CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C2 1473147469 ALRDFRPZIWUIMK-UHFFFAOYSA-N 446.526 4.500 30 10 IJEE CCOC(=O)c1c(NC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C#N)cn1CC 1476760277 CENONPIDMHLTCT-OAHLLOKOSA-N 448.445 4.597 30 10 IJEE COc1cccc(Oc2ccc(CNC(=O)N3CCC(c4ccc(C#N)cc4)CC3)cn2)c1 1477246362 ICPSNYFLQLQMKE-UHFFFAOYSA-N 442.519 4.843 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 1478965950 RIFHAZZWRUWARA-WOJBJXKFSA-N 430.593 4.584 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507559692 UODSVTHANSROBW-YLJYHZDGSA-N 442.489 4.569 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H]1c1csc(C)n1 1507594931 KWWGEILLKDLEAI-OAQYLSRUSA-N 435.597 4.939 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCc1ccc(Cl)s1 1507669336 VXXUAFHICFYGJV-UHFFFAOYSA-N 445.979 4.914 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1507749406 VJZSGAGKBJPVLD-APWZRJJASA-N 445.430 4.761 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1507886921 JALACVSTPXHZPX-IBGZPJMESA-N 431.625 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1507923626 YXWBMOXIOOLPMI-HSZRJFAPSA-N 431.584 4.834 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)CCC 1508001406 PPNVMHLJGICULH-QHCPKHFHSA-N 425.964 4.737 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC=CCO1 1508010636 YPAFEUXMUXRVFC-QHCPKHFHSA-N 429.568 4.876 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1508014579 BGPVFDSEBJIXDD-LAUBAEHRSA-N 448.409 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(F)(F)F)cc1C 1508021837 ROSUCXFPFUSQGJ-UHFFFAOYSA-N 444.505 4.694 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2csc(C)c2)C1 1508115845 LXFBHOSQRZDDDZ-GOSISDBHSA-N 444.988 4.807 30 10 IJEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1 1517214161 GKABAIHJQORMFN-LJQANCHMSA-N 429.515 4.791 30 10 IJEE COc1ccc(CCn2c(N3CCC[C@@](C)(C#N)C3)nnc2C(C)(C)C)cc1OC(F)F 1518231903 DVWIYHRYHKRNPL-QHCPKHFHSA-N 447.530 4.558 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1)c1ccc(F)cc1 1525026103 SXAKBARJSGVBBW-DPLHUUCSSA-N 432.520 4.781 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)c3ccc(SC(F)(F)F)cc3)cc2C1=O 1526837755 MFEKQZYGIZJHOZ-GFCCVEGCSA-N 435.423 4.999 30 10 IJEE Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2Cl)n1 1526840747 BHGRJUBNIOXKTO-QMHKHESXSA-N 439.947 4.766 30 10 IJEE C#CC[C@]1(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CCCN1C(=O)OC(C)(C)C 1526865553 ZOOUWCIEWVJHMR-RUZDIDTESA-N 428.548 4.547 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCN(C)C2)OCC 1528569912 UJZIEOGDFYPTRW-IBGZPJMESA-N 426.582 4.585 30 10 IJEE CC#CCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1530514901 NXHSRCYMXZIQPJ-UHFFFAOYSA-N 428.554 4.642 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)c3cccc(C(=O)N4CCCCC4)c3)cc2)ccn1 1534849276 DOHKVDAEFUDWKK-UHFFFAOYSA-N 426.476 4.624 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1ccccc1 1537430650 LLYZOANNKXFDRQ-QFIPXVFZSA-N 442.519 4.656 30 10 IJEE COC(=O)[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc2ccccc12 1537766797 HQBFHUQXEFAXKO-DEOSSOPVSA-N 440.455 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1539034303 BRSJUKXCHGXEOF-DWKCODDLSA-N 445.032 4.623 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@]2(CCOC2)C1 1539095065 YZFNTFGDGLKVOE-DVECYGJZSA-N 442.991 4.719 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1C1CCC1 1539607577 IBYFDQZJSWJCOP-IBGZPJMESA-N 431.378 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1539620563 LZMVEVJASFMSMJ-QFUCXCTJSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1539621735 BKRGJIPSGGHJHJ-KPFFTGBYSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@H]1CCO[C@@H](C)C1 1539652205 OWWKPNOGYZHLQI-OALUTQOASA-N 428.577 4.570 30 10 IJEE C=CC[C@H](Cn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1C(C)(C)C)c1ccccc1 1539949123 VJTNNZHZAYSPLK-IFMALSPDSA-N 437.632 4.629 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(F)ccc1F 1540056569 MACDEIMENMFTQM-UHFFFAOYSA-N 425.302 4.718 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CC1(OC)CCC(C)CC1 1540089388 ZNILQFALKLTWSJ-UHFFFAOYSA-N 430.618 4.797 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nccs1 1540120012 IEAUAHFGEKUXOI-FXAWDEMLSA-N 439.585 4.591 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 1556214859 GFYOROVXWIVQMQ-UHFFFAOYSA-N 437.540 4.525 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1 1562229546 UZSUQIXJKWZPJN-UHFFFAOYSA-N 440.496 4.545 30 10 IJEE CCCC[C@@H](CC)COCc1cccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1562276216 CALLTCKUOGPSOH-LJQANCHMSA-N 429.561 4.730 30 10 IJEE C=CCC1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCCCC1 1565661758 MEPKGBRXJKIACH-FQEVSTJZSA-N 430.390 4.685 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1F 1568897143 FUUOHKFBCYXUNS-HXUWFJFHSA-N 430.907 4.651 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 1583075729 GEJRSKFUOOOMRI-MGPUTAFESA-N 431.870 4.817 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1ccc(F)c(F)c1 1585436782 XWYRKTRCRHVXEM-IBGZPJMESA-N 432.268 4.960 30 10 IJEE C#Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3cc(Br)ccc32)cc1 1586930695 GISYEIHENSXUCG-GOSISDBHSA-N 440.337 4.906 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C(F)(F)F)cc1 1587315845 XRURJHOFIREZTB-FXAWDEMLSA-N 435.829 4.517 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCCN1C1CC1 1587600186 VJHGZAVFXWVPNO-QPPBQGQZSA-N 449.643 4.845 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cscc1C 1588280625 NHCCAJSXVCCHOP-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#CCSCCn1c(N2CCSc3c([nH]c4ccccc34)C2)nnc1C(C)(C)C 1589124854 CGLNCOKIMMHTNQ-UHFFFAOYSA-N 425.627 4.536 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1cc(Cl)ccn1 1589357847 JRTONXXVEYXWPM-UHFFFAOYSA-N 448.752 4.547 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(F)(F)CC1 1589567228 CADXVEXMGSQQMC-DENIHFKCSA-N 446.542 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)c1nccs1 1589642101 VFBAERQDOCZNEJ-SFHVURJKSA-N 433.585 4.793 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1593796099 HKKPUECMCVXRIG-HXUWFJFHSA-N 427.474 4.756 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCSC2(C)C)CC1 1594133948 HIEHGWZBJCCALB-IBGZPJMESA-N 442.629 4.944 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC(C)CC1 1594858310 YHNUCHWKXZWBRE-MOPGFXCFSA-N 432.012 4.814 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1ccc(Br)s1 1595366570 GPLTZOAGAURFPB-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H]2CCC[C@H](C)C2)cc1 1595639638 FSKWQQCEDRIGGY-WMZHIEFXSA-N 448.615 4.768 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 1597538943 PCATWCIIVSLPHA-OAQYLSRUSA-N 430.589 4.923 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)cc2)nc1 1597981675 DZEPGKITSAXYFT-HSZRJFAPSA-N 430.483 4.878 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCC[C@H]3c3ccccc3)ccc2c1=O 1611322361 YKSMEOMFKQIZFS-PMACEKPBSA-N 433.577 4.575 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOc2ccc(F)c(Cl)c2)o1 1612034318 BCNQOJWAZMHQEO-QFIPXVFZSA-N 443.910 4.848 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1ccsc1Br 1617902512 GXVIHZJEPXYWDK-UHFFFAOYSA-N 444.402 4.956 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 1617967161 OUZKHRUJUCCAHS-AOMKIAJQSA-N 425.916 4.597 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](CC(F)(F)F)C2)n(-c2cccc(F)c2)c1C 1618669242 HIYAEPMRSLBFME-INIZCTEOSA-N 436.453 4.708 30 10 IJEE CC[C@](C)(COc1ncccc1Cl)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1621945846 ARKXVASWUSNXHH-HXUWFJFHSA-N 449.985 4.656 30 10 IJEE C=CCCc1ccc(S(=O)(=O)Oc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 1622371617 HACXAHMDTIZUMW-UHFFFAOYSA-N 443.565 4.866 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 1625484151 FLAZFRQDMGBKPG-LJQANCHMSA-N 430.470 4.740 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]32)c1 1627583317 XTGFDTNGPMVIKZ-DKZVUGQWSA-N 444.984 4.640 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Br)cc1C 1629274284 FLPCNHKTDOMDQV-KRWDZBQOSA-N 425.367 4.623 30 10 IJEE C#CCOc1ccccc1CNC(=O)NC[C@H](CC)Cc1cccc(Br)c1 1631792067 AOIYTRYVBFWXET-QGZVFWFLSA-N 429.358 4.529 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)C1 1632373787 RPOYBSADYHRNPH-LJQANCHMSA-N 431.536 4.985 30 10 IJEE Cc1c(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)sc2ccc(C#N)cc12 1638762663 AMUHUNGPMSKRBA-RCCFBDPRSA-N 439.581 4.847 30 10 IJEE CCCc1c(NC(=O)c2cccc(CN3CCCCC3)c2)cnn1-c1cccc(C#N)c1 1638918566 GAWMYZBPPKZTEL-UHFFFAOYSA-N 427.552 4.935 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccc(Cl)cc1F 1640467657 ROJBQIUSLWPHMZ-PKOBYXMFSA-N 428.891 4.809 30 10 IJEE N#Cc1ccc(CN2CCCN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)CC2)cc1 1642005932 ICEUACIGKXBMGR-UHFFFAOYSA-N 428.323 4.627 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 1646622614 BTALZCIFXDTSJO-NDEPHWFRSA-N 431.867 4.796 30 10 IJEE COC[C@H](C)n1c(C)cc(C(=O)Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)c1C 1652063002 HIAFYPIBWXQSDQ-AWEZNQCLSA-N 443.956 4.611 30 10 IJEE C#CCNC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 1652502200 GECMXKNBBPMRHR-INIZCTEOSA-N 439.968 4.821 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(F)cc1Cl 1661282881 YBUJBDIUMDVORA-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE C#CC[C@@H](NCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1)C(=O)OC 1664970168 IEGDABNOTIASEO-QGZVFWFLSA-N 440.696 4.688 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)CC1 1667661554 YHOUDIZPEASOEG-UHFFFAOYSA-N 441.475 4.567 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccccc2CN2CCc3cc(OC)c(OC)cc3C2)CC1 1668482137 AUNCZOIVKUVLOD-UILWBTOOSA-N 447.579 4.576 30 10 IJEE CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1668990981 ATWNMCBBLOWQOM-OAQYLSRUSA-N 447.970 4.613 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C12CCC2 1670293933 DJYUNHOXACCBQQ-HZPDHXFCSA-N 432.590 4.875 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 1670944455 OCWNMPQQHOBDQD-UHFFFAOYSA-N 448.369 4.942 30 10 IJEE CC(=O)c1cc(NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccc1C 1672650829 BZLHAXRHJVCHCX-CHWSQXEVSA-N 444.322 4.832 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccnc(N2CCCCC2)c1 1672708440 MOENRWKMYHKSGD-UHFFFAOYSA-N 445.361 4.721 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1672969146 CSMVREDROQIECE-UHFFFAOYSA-N 448.611 4.692 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1673369852 LDGVECIQQFZHNQ-GJZGRUSLSA-N 440.384 4.896 30 10 IJEE C=CCSCCNC(=O)N[C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 1680016743 HDSDYGAYUBNPLS-IBGZPJMESA-N 435.387 4.766 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(F)c(F)c1 1681555383 BDVWJSSZWFSBEJ-PKOBYXMFSA-N 448.819 4.985 30 10 IJEE C[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(NC(=O)c2ccncc2)cc1 1684592693 DBGLWDFBXZMRIQ-MZNJEOGPSA-N 439.519 4.643 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN(CC)CC 1690193981 WYXUOOCBBSFONS-BKMJKUGQSA-N 437.632 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690200045 JBORWFGNFGOIAD-LIXHSBQKSA-N 436.600 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCCc1c[nH]nc1C 1690260326 HOLOUOYIOWIURZ-UHFFFAOYSA-N 443.393 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@@H](C)c2ccccc2F)nnc1[C@]1(OCC)CCOC1 1690439549 IZNATOFWGYYNOZ-UUOWRZLLSA-N 430.568 4.869 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1690444971 PEYFNPXRFCACHT-HXUWFJFHSA-N 425.621 4.578 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1690465663 JBNXHQYWGQPDAH-UHFFFAOYSA-N 425.621 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1CC 1690524014 WVLAHBSHAPYPJF-OALUTQOASA-N 434.588 4.514 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1690529783 AIIZKIGAGKSYBE-OFNKIYASSA-N 437.613 4.732 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H](OC)C(C)(C)C 1690571805 JLYZXGOFPRZACO-QFIPXVFZSA-N 437.563 4.657 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCOC[C@H]1C 1690576012 KKIWXSDNLNREKR-SJLPKXTDSA-N 444.004 4.920 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1690581840 ZQDDSHJXDIEFIQ-HNVPCBRESA-N 434.632 4.808 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](OC)C(C)(C)C 1690586064 DPIFHHKMIKGSIM-SFHVURJKSA-N 433.394 4.947 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)nc1 1690602761 WEYGRTQEEMDMBM-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)CCC(F)(F)F 1690682590 STRLBIRAIYHESF-UHFFFAOYSA-N 431.462 4.650 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 1690683624 PTYCZANRIJBXKV-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCSCc2ccc(C)cc2)C1 1690707533 YMICNHFHQODLKQ-OAQYLSRUSA-N 428.646 4.890 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCC2=CCCCC2)c1 1705506651 DIHPANFTAADXGM-UHFFFAOYSA-N 431.584 4.882 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705511895 JEQSWGUNRFVHCA-LJQANCHMSA-N 441.988 4.745 30 10 IJEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 1705538126 ZLLVXJCKOCBZBC-LJQANCHMSA-N 425.533 4.516 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCSCC(C)C 1705575840 AIKQYKZENJXRBN-UHFFFAOYSA-N 426.655 4.738 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CC(C(C)(C)C)C2)CC1 1705635986 UURGNYZBGGUHJH-UHFFFAOYSA-N 433.644 4.995 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CC#N)CC1 1705749465 XXPXVYCJLUCOON-UHFFFAOYSA-N 434.769 4.899 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705753131 RFVYKHSTCHGTLV-IUODEOHRSA-N 437.853 4.987 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1705777979 WSNYYECHMKDWHD-FNZWTVRRSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1CC 1705857433 VMFDWQYEOGBCBW-LEWJYISDSA-N 432.572 4.763 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cccc(Cn2cccn2)c1 1705879103 MXWVAATWGKEIEA-UHFFFAOYSA-N 444.583 4.697 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705880712 NSKXFTYAVJQARH-LEWJYISDSA-N 425.621 4.884 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)c(C)n1 1709634679 FGWWXRDINZMTLH-OAHLLOKOSA-N 443.958 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccncc1Cl 1722302003 DXVUDXSMRWBWEY-KRWDZBQOSA-N 437.975 4.709 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](OC)C1CC1 1722395244 VUWRDXQLVKJRDP-GOSISDBHSA-N 438.984 4.701 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(C)c1 1722546428 LEHTWJFINKHNHR-UHFFFAOYSA-N 434.769 4.743 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(SC)CC2)CC1 1722562638 GXPJHMJOISEBLM-UHFFFAOYSA-N 428.602 4.793 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCCc2cccc(C)n2)CC1 1722580288 ZTXRIMGSSHDTHF-UHFFFAOYSA-N 431.584 4.638 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722607197 PADYSDDPDQDJOK-APWZRJJASA-N 436.343 4.840 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCCC2(CCOCC2)C1 1722623833 MTNIWKLZPULCRY-UHFFFAOYSA-N 430.980 4.588 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1csc(C)c1 1722659852 FEKYOQAOKMTEOK-HXUWFJFHSA-N 426.561 4.922 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCC2(CC1)C(F)(F)C21CC1)C(C)C 1722664620 DKMXFFRMYSAJJC-IBGZPJMESA-N 433.591 4.555 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1722675442 MTSWILVWSJGHHY-GOSISDBHSA-N 436.556 4.610 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1722694462 WMAHGLFJSDQKBQ-VLCRHTCISA-N 435.616 4.560 30 10 IJEE COCCC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(C#N)CC2)CCC1 1730648527 DXUWKTJTXMHUMV-UHFFFAOYSA-N 439.629 4.826 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC1CC1)C1CCC1 1731028131 GODPGZACFODGOE-UHFFFAOYSA-N 425.602 4.639 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@H]1CC 1740633942 ZFFZPMGRKKDHKP-HZPDHXFCSA-N 431.403 4.668 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1CCOCC1 1740725645 OMLKDQUDZFERQL-HOYKHHGWSA-N 442.991 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCCc1nc2c(s1)CCCC2 1740731890 KSAGWIBGXHCJBK-XMMPIXPASA-N 425.646 4.827 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC2CCCC2)nc1 1740769783 UIJPTTVQVQPCDI-UHFFFAOYSA-N 442.567 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCOCC2)C1 1740847135 XUNCKSIMXDVCMU-UHFFFAOYSA-N 437.613 4.521 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@H]1C 1740916970 CGEYRIUTMWNEEZ-JFTIXFDTSA-N 449.599 4.503 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1)C(C)C 1740926948 NPLQIVSDNSNAFM-VXKWHMMOSA-N 445.696 4.817 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@H]1OC 1740935959 CJSDBCNAVRVISC-UYAOXDASSA-N 441.963 4.637 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1740937722 NCQNVKWBLVJGFH-OAQYLSRUSA-N 427.637 4.815 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1740998789 VCHZUJSLVCKJCW-IBGZPJMESA-N 440.016 4.982 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CCS1 1741400861 BCLLFFCYDHTGIP-UYAOXDASSA-N 427.643 4.538 30 10 IJEE C[C@@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1743060474 CERDAVHXCZZKND-NTKDMRAZSA-N 441.023 4.993 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCC[C@H]1CC 1748687262 GMYMYVJPHSJOHE-LEWJYISDSA-N 425.646 4.601 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cc(C(C)(C)C)no1 1748798531 DDUBYHJFAIISBM-UHFFFAOYSA-N 435.572 4.558 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C2CCC1(C)CC2 1749021929 COJLOUVIJAZNME-BHWOZTKKSA-N 440.613 4.705 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(CC)C1CCCC1 1749022707 GIHYFLODBMNJCE-UHFFFAOYSA-N 433.419 4.843 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1749095728 AMDUOBJVYWRMRU-MJGOQNOKSA-N 438.373 4.940 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1749304964 LXJKZJKEAIVQCQ-NRFANRHFSA-N 435.641 4.997 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCc2ccccc2C(F)(F)F)CC1 1749334644 HNPMFPJWOMCGMO-UHFFFAOYSA-N 429.490 4.948 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1749381621 FUBODMRLBCVCDE-QFQXNSOFSA-N 448.615 4.680 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1749402110 JXBJUOLJQOAABB-QHCPKHFHSA-N 440.588 4.932 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)C1 1749449875 WSNYISUJNUWULU-AWEZNQCLSA-N 427.401 4.786 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(C)C)C1CC1 1749528142 FBZDLTJJLFAJLF-HDICACEKSA-N 431.625 4.886 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(OC)CCC(C)CC2)C1 1749695722 HWRRRONQJHNLPS-VZQLXNMESA-N 445.007 4.975 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1749758565 SPGYLYYDRVXXFM-LJQANCHMSA-N 439.000 4.766 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1751107496 DHZFSGREIQRISQ-KRWDZBQOSA-N 439.560 4.676 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCN(C)CC(F)(F)F)CC1 1760400263 UJTSXEXNLFYMJN-UHFFFAOYSA-N 441.929 4.885 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCC[C@H]2CCCCO2)CC1 1760406121 SXZUGDLSDYIXLB-OAQYLSRUSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1760408481 CXNAKCNXVZKGJZ-JOCHJYFZSA-N 432.616 4.731 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC)[C@H](C)C1 1760423345 WPRRYOYMALDSIY-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760430052 XYOBNXQJTRZPDN-RTBURBONSA-N 432.012 4.786 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760443931 QYSWVBLVKZSMHJ-FQEVSTJZSA-N 441.645 4.538 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCSc1nccs1 1760454487 LMIDPAMCSRHCJG-UHFFFAOYSA-N 437.598 4.596 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@H](F)C1 1760482053 QNFHQGDLEGNDOA-RQTOMXEWSA-N 442.579 4.650 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cc(OC)ccc1OC 1760485480 DVSRKVSENSWGBK-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1760560942 KOEBOOKEYNPXSX-VQTJNVASSA-N 442.629 4.516 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC(OC(C)(C)C)CC1 1760569645 VGZRBRRHLIPLCB-UHFFFAOYSA-N 444.645 4.869 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccnc(OCc3ccccc3)c2)o1 1761732270 CUPFHWPMFHEADM-GOSISDBHSA-N 442.523 4.607 30 10 IJEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(COC(C)(C)C)c2)o1 1761750777 FTXGDBBEAWWOJW-DEOSSOPVSA-N 437.519 4.652 30 10 IJEE Cc1cccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)c1C 1858840700 SVLHZWMNDLOBPS-KRWDZBQOSA-N 429.480 4.620 30 10 IJEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(F)c(F)c3F)cc2)c1 1858912713 BRLXDLLNYIKPRY-UHFFFAOYSA-N 425.366 4.516 30 10 IJEE Cc1ccn2c(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(C#N)c4)c3)c(C)nc2c1 1860463326 UKXREGJWOANXSN-UHFFFAOYSA-N 443.894 4.981 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cccc(Br)c1 1861337611 PFEUHZGSUOJCTE-GOSISDBHSA-N 443.451 4.777 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1cc(OC)ccc1OC 1861731163 LXGAPDRUWASBJQ-IOUNIBQOSA-N 444.616 4.965 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862441769 COHDSNMAWORRAU-NRFANRHFSA-N 437.854 4.963 30 10 IJEE COC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862475887 WQWVCBDLPCYAFW-QHCPKHFHSA-N 441.483 4.560 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862501358 BBBCNDNQCNTGDE-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2c(F)cccc2Cl)cc1 1862530888 ABUPIDHIROZTNT-HRAATJIYSA-N 443.902 4.799 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1Cl 1862535723 JGVGABRZFQIVJQ-OAQYLSRUSA-N 427.928 4.907 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(F)cc2F)c1 1862561508 VKZXQMNHEORTBE-NRFANRHFSA-N 426.463 4.848 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1cccc(O)c1 1862590355 HFYUIWXAHCKWDX-OAQYLSRUSA-N 435.863 4.530 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc(Br)ccc1F 1862601645 JSDJVGUUZRRKSR-SFHVURJKSA-N 448.288 4.672 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 1862616261 PNYSEQYZECFLNE-RBBKRZOGSA-N 437.511 4.881 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)cc2)cc1F 1862636690 MGPKARQDXGDLOP-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862677336 DHZYDCKAGJUGLX-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1Cl 1862743749 FZHOQVDDDZKRJX-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(CCCc3ccccc3)C2=O)cc1 1863297123 KKPDCFLLJWZNRF-UHFFFAOYSA-N 425.463 4.522 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(Cc2ccc(F)cc2)C1=O 1863452294 GRMNHRLPPQAQEF-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCCN(C)C)C1=O 1863577809 TVASONMRXSUGTO-UHFFFAOYSA-N 435.612 4.822 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3cccnc3)C2)nc(-c2ccccc2Cl)n1 1869242894 BIAUPACNDNGEKS-QFIPXVFZSA-N 447.970 4.948 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1C 1870145025 QIQAASBMAFRQEL-UHFFFAOYSA-N 439.475 4.566 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3c(c2)C(=O)CCC3)cc1 1870157718 AKXVACCQFFMJQE-UHFFFAOYSA-N 447.498 4.886 30 10 IJEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CN2CCc3ccccc3C2)cc1=O 1870411025 QBDMLGFRMDNXAO-RUZDIDTESA-N 438.612 4.935 30 10 IJEE CCCCCCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN(CC)CCCC 1870577083 CXDOOUWOZATSHL-UHFFFAOYSA-N 449.665 4.674 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870813790 CNTJFBWBWOJSOO-UHFFFAOYSA-N 445.519 4.594 30 10 IJEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1871133432 KNIIRNFLBQERIX-UHFFFAOYSA-N 445.563 4.527 30 10 IJEE C=CCNC(=O)c1c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 1871343065 AEZGXROKZLVSTJ-UHFFFAOYSA-N 445.393 4.650 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872057044 YFASNKBONKRIAU-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872100588 WHLKUADCRPGEDG-WMZHIEFXSA-N 428.598 4.788 30 10 IJEE N#C[C@H](C(=O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccccc2Cl)cs1 1872764315 JZNCOYXAOBXOIQ-CQSZACIVSA-N 434.908 4.509 30 10 IJEE COC(=O)c1nc(-c2ccc(C)cc2)oc1N/N=C/c1cc(Br)ccc1OC 1873462191 SGARVLJNDQIWPM-SSDVNMTOSA-N 444.285 4.654 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641520 XZNUUMYSZPTBNJ-UHFFFAOYSA-N 433.899 4.841 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccccc1OC(C)C 1874227798 DCVNDCFHTZWHAN-BUVRLJJBSA-N 438.553 4.813 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1879744661 YUJFDUZWMWUICE-VOIUYBSRSA-N 442.365 4.732 30 10 IJEE C=C(COCc1ccccc1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922095975 ZGHCHELNUTZXCW-HSZRJFAPSA-N 439.552 4.829 30 10 IJEE Cc1cc(C#N)ccc1CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951476524 IXMZYRVWOXREGR-VWLOTQADSA-N 440.499 4.791 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2035956190 QFVQUNHUEGWEKZ-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2cc(Cl)cc(Br)c2)C1 2063052142 PKDSZMJYRQSZPJ-INIZCTEOSA-N 430.770 4.867 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(CCCB3OC(C)(C)C(C)(C)O3)C2)C1 2073336731 TVOSTJZICLEMLW-PMACEKPBSA-N 436.446 4.828 30 10 IJEE CCOC(=O)c1cnc2c(-c3cc(F)c(F)c(F)c3F)c(C(F)(F)F)nn2c1Cl 2081244075 CXCRDERICNRQFW-UHFFFAOYSA-N 441.690 4.802 30 10 IJEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)cc4F)c(C(F)(F)F)nn13)CCOC2 2081395021 OIHGXGIZOZAVAF-UHFFFAOYSA-N 435.299 4.654 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 2089284326 SOSCQNWJPYWEPK-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(CCC(F)(F)F)Cc2ccccc2)c1 2095867291 YLTULTMARXKJQY-UHFFFAOYSA-N 449.322 4.949 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)ccc(Br)c1F 2102886771 KUVSIINQJOVEAK-QAPCUYQASA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2cc(Br)cc(F)c2C#N)C1 2163694719 ZUVSRXVPULWRFH-LLVKDONJSA-N 448.283 4.764 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3ccc(C#N)c(Br)c3F)C[C@@]2(C)C1 2172912365 KBLKHSYAUHISBH-YRVVQQKDSA-N 438.341 4.907 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2174568162 NAZVLDVDEPDHPP-GOSISDBHSA-N 436.394 4.788 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)CC12CCC2 2174811873 DGECVFNUKNOSKQ-OAHLLOKOSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1 2180911831 GOKTZTPJWMTTOJ-UONOGXRCSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)C1 2181148284 XHEOGFQDZFCHCJ-CZUORRHYSA-N 436.350 4.733 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@]34CCC[C@H]3CCN4Cc3ccccc3)cc2)OC1(C)C 2197366031 YUIPFPHGXFOSMM-RBJSKKJNSA-N 446.444 4.520 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@H](O)C#Cc1ccccc1Br 2235738845 CZBUROCJWBTVGR-UYAOXDASSA-N 436.390 4.883 30 10 IJEE C=CCN(CC[C@@H](N)c1c(F)c(F)c(Br)c(F)c1F)C(=O)OC(C)(C)C 2267832154 CXZFAMAASOMAMY-SECBINFHSA-N 441.263 4.819 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCCN)c1c(F)cc(Br)cc1F 2276549674 NNVDDGUISXRPMF-FQEVSTJZSA-N 426.301 4.907 30 10 IJEE C=CCC1(COc2nc(OC)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2287839857 WVWRNGYTZFIYTJ-UHFFFAOYSA-N 441.366 4.825 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)C#Cc2ccc(Br)cc2)cn1 2296231120 AASFGRHTTCTGRV-UHFFFAOYSA-N 429.314 4.840 30 10 IJEE c1csc(CN2Cc3cc4cc5c(cc4nc3SC2=NC[C@@H]2CCCO2)OCO5)c1 2297706576 RYBZNTPDVWWUIS-INIZCTEOSA-N 439.562 4.668 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC12CCN(C(=O)OC(C)(C)C)CC2 2305322823 OYPWECOUHBWDMO-VWLOTQADSA-N 428.573 4.699 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2306366303 VGBFZVBFPVFGRW-NLFFAJNJSA-N 430.589 4.993 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(CC1CCC1)NC1CC1)Cc1ccccc1 2318403667 ZYJLYYFRSUENCN-MUUNZHRXSA-N 430.640 4.825 30 10 IJEE C=CCSc1nnc(CC)n1N=Cc1cc(Br)c(OCCC)c(OC)c1 2321020503 VFRXBGYKDMULLP-UHFFFAOYSA-N 439.379 4.561 30 10 IJEE Sc1nnc(CCOc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 2322024066 VMLSWBVDXFYZEO-UHFFFAOYSA-N 430.533 4.650 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(S)nnc2CCCOc2ccccc2Cl)cc1 2322234810 BRJRXMHFSSNRTA-UHFFFAOYSA-N 444.004 4.960 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4)cc(C)c3C2=O)cc1 2324966990 OVRPZCBDETYNQP-UHFFFAOYSA-N 427.500 4.869 30 10 IJEE COc1ccc(C=CC(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 2325182917 ZOZZNAOPILUCOO-UHFFFAOYSA-N 436.103 4.744 30 10 IJEE CC(=O)c1sc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)nc1C 2325249741 LDJLZYDZRYECAQ-UHFFFAOYSA-N 448.500 4.596 30 10 IJEE COc1ccc(CNC(=O)COc2cc(C)c3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325457450 SQNWNAFQJGLWEF-UHFFFAOYSA-N 449.528 4.685 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747427 YMGUIORNALXYTO-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(F)cc1F 2328264010 QRRARYMQCIMWPE-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(CC)cc1 2330146191 OCDCKUZINUTRHI-SFHVURJKSA-N 436.581 4.920 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccn2)c1C 2330537119 FKTQXLKXWQWOBG-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 2330651469 DIBBIZIVNOPLGN-UHFFFAOYSA-N 432.480 4.957 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(C)c1 2330777220 OYZCKGYSGPKMRG-UHFFFAOYSA-N 429.549 4.550 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1C 2330854906 YIKDPWZRNVWMHM-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018025 IVAJODKCZWGURF-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C(C)(C)C)cc1 2331411000 CPTKSVQNEAPOCG-UHFFFAOYSA-N 445.633 4.595 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C(C)C)cc1 2331708188 NUBVMZWGKJISLG-UHFFFAOYSA-N 432.590 4.754 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C#Cc1cccs1 2338390070 MCZYSDDDGHXVKH-QGZVFWFLSA-N 434.355 4.567 30 10 IJEE N#Cc1cc(F)c(Oc2cc(Br)cc(I)c2)c(F)c1 2338673610 NGMGUCMRQKEKFR-UHFFFAOYSA-N 435.993 4.996 30 10 IJEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339536386 QIDGELOSBOQWDG-IBGZPJMESA-N 443.397 4.562 30 10 IJEE C[C@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339574455 IGHBRPWFVQLENM-LUOJLBBYSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2340987119 GXUMTRXLFPVCDR-GBESFXJTSA-N 441.381 4.536 30 10 IJEE C=C1CC(CNC2CC2)(Cc2ccc(I)c(Br)c2)C1 2349924254 YZHIOJPTYALVCC-UHFFFAOYSA-N 432.143 4.685 30 10 IJEE Cc1cc(CNCC[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676974 FXIABZXCRWCDGO-RDGATRHJSA-N 448.460 4.542 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CCc4ccc(C)cc4)n3)cc21 11970771 AJSCYHXXXLOLQT-UHFFFAOYSA-N 433.533 4.601 30 10 IJEE C=CCn1nc(SCc2ccccc2)n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C 15839393 KXMVBHGDTLZJML-UHFFFAOYSA-N 428.561 4.870 30 10 IJEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 21248278 KWHYOVBXGQXDCM-WBVHZDCISA-N 425.912 4.621 30 10 IJEE C=CCn1c(SCc2nc(C)c3ccccc3n2)nnc1[C@H]1COc2ccccc2O1 25766831 WLKHCOSLHLVGKD-HXUWFJFHSA-N 431.521 4.521 30 10 IJEE N#Cc1cccc(NC(=O)[C@H]2CCCc3sc(NC(=O)c4ccc(Cl)cc4)nc32)c1 44441652 SRPNOUJYIPJVJW-KRWDZBQOSA-N 436.924 4.979 30 10 IJEE CC(C)c1nnc([C@@H](C)Sc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)o1 59879238 VOCMZWVZPWGXTI-IMAFCELCSA-N 426.333 4.917 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 72045652 HYNJSALQUSWIRW-VQHVLOKHSA-N 435.877 4.834 30 10 IJEE O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc3c(c1)OCCCO3)n1ncnc1N2 72460250 ODZLFAMMXUOPNE-MWTRTKDXSA-N 448.910 4.509 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(O)c(Br)c2)C(C(=O)c2ccccc2)=C1C 169929041 LDFVPBSXUOZYOQ-LJQANCHMSA-N 445.382 4.953 30 10 IJEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OCc2ccc(Br)cc2)cc1 169937048 DQWYIMLQIZFYGL-HXUWFJFHSA-N 445.382 4.752 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)s1 170085984 WRPUODSVPNFVIH-HXUWFJFHSA-N 435.549 4.773 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)c1 170189161 OITBFLRBXBEDKO-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170229026 MBQSKZBJECITJP-JOCHJYFZSA-N 449.409 4.519 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170230238 KIMRTPULLQCEHQ-UWJYYQICSA-N 437.879 4.844 30 10 IJEE Cc1cc(C)n(Cc2cccc(CNC(=O)/C=C\c3cn(CCC#N)c4ccccc34)c2)n1 210088791 OJRTYQTXPHZWAE-QXMHVHEDSA-N 437.547 4.746 30 10 IJEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1cccc(C(C)=O)c1 254346093 AFNDUNQKUOUOFK-BZMHFZIGSA-N 439.562 4.892 30 10 IJEE COc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C 427860417 ZVVIILSSAFJAGT-UHFFFAOYSA-N 433.439 4.692 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCC(Cc2ccc(OC)cc2)CC1 509009424 BTFXREDEAVSLSF-UHFFFAOYSA-N 432.568 4.649 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2nc3ccccc3s2)CC1 570465344 CNHPQXKUPLHOHZ-UHFFFAOYSA-N 430.581 4.834 30 10 IJEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(COCc2ccc(C#N)cc2)CC1 585222007 HGYDZTWMVMHUAR-UHFFFAOYSA-N 426.944 4.824 30 10 IJEE O=C(N[C@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 585827251 WXOMKTBRRMWWNS-FDTRCARMSA-N 437.754 4.780 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N3C[C@@H](C)C[C@H](C)C3)C2)c1 585967852 UXFLNBKZYFHRGY-SXWKCWPCSA-N 440.632 4.816 30 10 IJEE COc1ccccc1N(C(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586294327 NXWRDXNPXMKYDB-UHFFFAOYSA-N 448.544 4.900 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)cc(OC)c1OC 622870491 QEZAWBSUIAIJEX-LJQANCHMSA-N 445.357 4.682 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1CC#N 687736568 RXRMREAZXCCWMQ-MHZLTWQESA-N 440.499 4.981 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC(Oc3ccc(F)cc3)CC2)c1=S 734477276 YBOCFPZZVYNTAQ-UHFFFAOYSA-N 438.572 4.831 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(Br)cc1 749026375 PIOUVEKSODJUHR-LJQANCHMSA-N 427.342 4.854 30 10 IJEE C=C(C)[C@H](NC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 779097532 RFILECPUIJNDBH-FQEVSTJZSA-N 440.556 4.831 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 800777166 UCDQZYBTWOUWFI-MRXNPFEDSA-N 439.585 4.551 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800778716 CPFMXROLFDVRPZ-UHFFFAOYSA-N 448.571 4.515 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C 1124399394 YTZQUWCKRADZBW-AWEZNQCLSA-N 431.023 4.659 30 10 IJEE Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccccc1Sc1ccccc1C#N 1133570485 DMLOJZKBSOVITN-UHFFFAOYSA-N 430.455 4.663 30 10 IJEE C=CCC[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1C)c1ccc(C(F)(F)F)cc1 1137721992 SSGCNVIKTAOBQR-VQTJNVASSA-N 433.474 4.937 30 10 IJEE C=CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 1162612429 GCDNTRZKJDRGTL-UHFFFAOYSA-N 432.498 4.517 30 10 IJEE CCOc1ccc(CCC2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)cc1 1185038926 HEGARCYZSWSPIM-UHFFFAOYSA-N 432.973 4.644 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(F)ccc1Cl 1186396439 ZPWQRVKXPYKSBK-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4ccc(F)cc4)CCOCC3)cc2)nc1 1199244770 GPTDIALGCXTRMZ-UHFFFAOYSA-N 432.455 4.712 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)CCCC1(C)C 1199446350 KWPJGPWKBIPBAF-MRXNPFEDSA-N 434.480 4.587 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC2(c3cccc(Br)c3)CCC2)cc1 1208478115 ZVLVVMLZFGSQJP-UHFFFAOYSA-N 434.399 4.968 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)cc1 1219367781 AJZOUTDIKSXFDY-UHFFFAOYSA-N 428.414 4.533 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 1252970833 LWCVMELZHXZOCX-UZLBHIALSA-N 448.405 4.944 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(Br)c(C)cc2OC)cc1OC 1267747649 IXYHQWSNGJWODY-CLFYSBASSA-N 432.314 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN(C)C1CCCCC1 1286280089 ZLEGAMLAVZKACF-VQTJNVASSA-N 441.595 4.670 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](COCC)C1 1286341033 AXRPLFYZFVPBLR-RTBURBONSA-N 430.980 4.738 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1286355380 MYHUXVRSEIQRCT-CTNGQTDRSA-N 445.007 4.669 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCSC1(C)C 1286583724 QSIDKEOCSOGYTI-GOSISDBHSA-N 430.618 4.800 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286590222 XPDKMMOYNRMVEJ-HXUWFJFHSA-N 439.604 4.777 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1286744518 IJACSESUJDCKKN-DHLKQENFSA-N 447.558 4.577 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC2(CCCCC2)C1)C(C)C 1286750727 GFTKSGUMSNNMLH-QHCPKHFHSA-N 449.647 4.594 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCC=CO1 1289274946 DTFXRQYOKMBXEL-CVAIRZPRSA-N 443.979 4.977 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)n1 1290664150 FWXCGSCYYSEDPI-QHCPKHFHSA-N 431.588 4.593 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cnn(-c2ccc(Br)cc2)c1 1296463394 OLPLQGTUYYNUAV-UHFFFAOYSA-N 426.314 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](CC(C)C)N(C)C 1300274991 OLINJZHWSHOXOO-NSHGMRRFSA-N 432.012 4.506 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1Cc1sccc1Br 1300521901 XIMPWOQZXNPPBE-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1300633335 GQEAXOYUIZACPL-HSZRJFAPSA-N 433.625 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS1 1300912634 HMMQZEMASKLWPS-OALUTQOASA-N 449.665 4.691 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](CCOC)C1 1301176641 HCUHXUJRXALKAW-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301178089 GUBZJDULMUHDCV-IBGZPJMESA-N 425.577 4.713 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1301349444 LXBQIISJXVMPDL-JTHBVZDNSA-N 426.605 4.849 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1304999104 GZYYREOEKRWFMV-ZBFHGGJFSA-N 431.382 4.602 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1Br 1306958356 BRMISNICNZIYDL-ZDUSSCGKSA-N 449.299 4.637 30 10 IJEE Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1 1310800083 IDHRXIIDUYXCSJ-QFIPXVFZSA-N 448.548 4.962 30 10 IJEE CSc1ccc([C@H](CNC(=O)N2CCC[C@@H](C#N)C2)N2CCc3sccc3C2)cc1 1311451207 GLUFFNFUUQTQKK-UWJYYQICSA-N 440.638 4.515 30 10 IJEE C#Cc1cccc(CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)c1 1311895850 CCOGGBFPPUJGSD-HSZRJFAPSA-N 435.568 4.857 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCOc2cccc(Br)c2C1)c1ccc(F)c(F)c1 1312534109 BCVMMHSHACUCGK-LJQANCHMSA-N 437.284 4.949 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=N)NOCc1cc(Cl)ccc1OCC#N)c1ccccc1 1321894914 CUKQXALEMAPXQL-LJQANCHMSA-N 444.919 4.507 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C(F)F)cc2F)c(C(=O)OCC)c1C 1352793457 PORWNZZVKUTYDA-UHFFFAOYSA-N 441.427 4.905 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](C)CCc2ccc(Br)cc2)c(OC)c1 1355704564 QNMKHINPHHEHPX-INIZCTEOSA-N 432.358 4.703 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cccc(C(F)(F)F)n1 1358873619 LQMAIPQEBAXCJN-LPHOPBHVSA-N 427.474 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(COC)CCCCC1 1358873928 PYVLMSKDYXQJGM-RBUKOAKNSA-N 428.552 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCCN1CCCC 1358879267 NUYLIGQKUDGHQU-PKOBYXMFSA-N 431.987 4.850 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(Cc1ccco1)C(C)C 1358903962 PFEPGMCLYPTJJR-UHFFFAOYSA-N 433.556 4.959 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1c(C)noc1C 1358987777 RPQUFYKIDWPCBV-UHFFFAOYSA-N 447.608 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@@H](C)C#N 1359090918 HMUGMEAQDUOSCS-HWLQVEPHSA-N 437.588 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC(=O)NC1CC1 1359109060 OBCKTZPRNMIPTH-UHFFFAOYSA-N 441.645 4.737 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1359114766 XUOWDEBRPHBDRF-TZIWHRDSSA-N 425.621 4.896 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC2(CCCC2)C1 1359137621 VHLSZUNKFQGYQL-NHCUHLMSSA-N 430.637 4.950 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CC1)c1ccccc1 1359138630 ZFOSOCNPOHMGOU-UHFFFAOYSA-N 426.362 4.606 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Sc2ccccc2)CC1 1359159908 IBSSPLSTZUAYJV-HYBUGGRVSA-N 442.629 4.656 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCCOCC2CC2)CC1 1359176974 VTYAWDIYVDBUIW-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1359190176 HLBISMBLGIYDEZ-DEOSSOPVSA-N 444.627 4.971 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359198559 UJCSJGUCQDASSK-YJBOKZPZSA-N 442.457 4.681 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1ccc(C)s1 1359254036 CAARHIQGNKILKO-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCC[C@@H]1C 1359261389 HBLVCVGVCPXALV-DFBJGRDBSA-N 426.580 4.894 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1359338630 BVZSNDGRRKGGHR-KRWDZBQOSA-N 429.615 4.915 30 10 IJEE C#Cc1ccc([C@H](OC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C(F)(F)F)cc1 1436241090 XWCZYLRBBBCWFD-NRFANRHFSA-N 430.401 4.742 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 1437971332 RYIMVJIMAQLAHC-ZZEZOPTASA-N 427.548 4.720 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)cc1 1442262446 IOTQKCUKAMFBFB-UHFFFAOYSA-N 425.492 4.625 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1 1442760492 XDALPKNRSGPWBT-FQEVSTJZSA-N 426.358 4.539 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 1458340759 NQBYLIFRMDMBSU-MRXNPFEDSA-N 435.351 4.504 30 10 IJEE COC(=O)[C@@H](c1cccc(C#N)c1)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1460171796 CUGUPNZDIXYVQH-WOJBJXKFSA-N 432.442 4.643 30 10 IJEE C=CCOc1c(Br)cc(CNc2nnn(-c3ccc(F)cc3)c2C)cc1OC 1461810066 DLDSMIJKVYZJPT-UHFFFAOYSA-N 447.308 4.663 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1cn(-c2ccc(F)cc2Cl)nn1 1462333350 MTIBYABOMSFYFC-UHFFFAOYSA-N 437.700 4.999 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1463891409 YPYWVPCXZHAXPD-UHFFFAOYSA-N 438.524 4.763 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1466207481 NMAKMCOAGZHJSA-WOJBJXKFSA-N 441.572 4.590 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1469490276 AAGLWLSKYUMBBE-RHSMWYFYSA-N 429.483 4.925 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)CCC(=O)N3C)cc1OC 1474045977 AKAJFWKYOHIMQD-UHFFFAOYSA-N 431.330 4.544 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)c1 1476103921 JAECITACSPDZSJ-DWIQEWEKSA-N 429.561 4.940 30 10 IJEE CC(=O)N1CC[C@@H](NC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)c2ccccc21 1476832530 GMOHELLMQBAZNU-HXUWFJFHSA-N 441.491 4.673 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 1478906891 MKGBWSJRMBGLJU-DHIUTWEWSA-N 436.552 4.963 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)c1 1504331000 DOCRCAJNSZYKPV-FYYLOGMGSA-N 437.588 4.535 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1Cc1cc(C(CC)CC)no1 1507648045 SYQZMUVLHNATQK-UHFFFAOYSA-N 438.535 4.506 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCC(F)F)CC1 1507896409 FKCSVSXMPGUOOF-OAHLLOKOSA-N 436.572 4.816 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)COc2ccccc2OC)CC1 1507902612 LOBUAWUOYOEXLC-IBGZPJMESA-N 426.605 4.993 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2cnn(CC(C)C)c2C)CC1 1507906012 ZDMHIELZHZAVTE-UHFFFAOYSA-N 432.616 4.675 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@@H]1C 1507925734 JYFYKIXHTWYROW-MSOLQXFVSA-N 444.649 4.528 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccn1)c1ccccc1 1507930281 VPVZVRZQEQTPNT-QHCPKHFHSA-N 441.583 4.531 30 10 IJEE C=CCCCCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507936584 DBZLNWJMJGMSMP-YDIMBITNSA-N 442.608 4.535 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCOC1 1507956315 JBALOCJUPRIWEU-HNNXBMFYSA-N 425.360 4.603 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1507986044 UFJOLJPVUNPVSK-LEWJYISDSA-N 439.648 4.897 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CCC(C)(F)F)C1CC1 1507996351 WXECVPVUDDIZQM-UHFFFAOYSA-N 441.320 4.820 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1508039104 WKRXQYNVEFCKJD-HOTGVXAUSA-N 443.901 4.926 30 10 IJEE Cc1cccc(CN2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)c1 1514852474 CPACBNDGICXFMH-UHFFFAOYSA-N 427.573 4.976 30 10 IJEE C=CC[C@H](CC)NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 1519718435 GOBZNXBPUFAUJI-QXWFJRNPSA-N 436.552 4.659 30 10 IJEE CC(C)(C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(C(F)(F)F)cc1 1520109654 DULZDWJRVLOLQR-UHFFFAOYSA-N 443.469 4.732 30 10 IJEE C=CCCC[C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1520520549 LXYOYGKPAPHSMP-WMLDXEAASA-N 425.367 4.876 30 10 IJEE Cc1c(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cnn1-c1ccc(Br)cc1 1525761560 DBAZWRQYBFPEFW-NRFANRHFSA-N 435.325 4.622 30 10 IJEE C=CCc1ccc(OCC(=O)NCCc2ccc(Br)cc2Cl)c(OC)c1 1527437287 ABOXMIBYDIFHQS-UHFFFAOYSA-N 438.749 4.577 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(C(=O)OC(C)(C)C)CCC1 1529485945 RAXOCMSHFJHBKO-UHFFFAOYSA-N 426.326 4.615 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cc(I)ccc1N1CCCCC1 1534845455 SXILGMFHSHTWNE-OAHLLOKOSA-N 426.342 4.756 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)CCCN1C(=O)OC(C)(C)C 1537268734 BRWASPBUXJLLTC-QHCPKHFHSA-N 442.947 4.566 30 10 IJEE C=CCN(C(=O)c1ccc(-c2csc(C)n2)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618499 LLQZVEHTLBGIML-IBGZPJMESA-N 440.590 4.983 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCN1CC 1538976148 JIXROIWLDPJWPZ-GBXCKJPGSA-N 444.627 4.685 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H](F)c1ccc(Br)cc1 1539024514 VQUDHKLRRAVQET-KXBFYZLASA-N 433.369 4.942 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1539059733 JQNXAETWRGNLGD-LJQANCHMSA-N 442.007 4.535 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@]2(CCOC2)C1 1539095067 YZFNTFGDGLKVOE-YADARESESA-N 442.991 4.719 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(CC)s1 1539158496 BVWVSYSPVCRSOU-UHFFFAOYSA-N 429.387 4.758 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1[C@H]1C[C@H](c2ccccc2F)C1 1539644129 DBDLWLWVYQCMPI-UAPYVXQJSA-N 427.568 4.857 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1539898498 URKHDPXQLCLPLD-XMMPIXPASA-N 437.632 4.688 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC2(CCCC2)C1 1540021563 VLHITTOUGAZEQB-UHFFFAOYSA-N 448.409 4.789 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(OCC(F)(F)F)nc1 1540049502 NDPVPGWBPJOUAP-LJQANCHMSA-N 445.489 4.827 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCC1CCOCC1 1540120570 DVQQMVJGMHCOCE-UHFFFAOYSA-N 442.567 4.530 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1cnn(CC(C)C)c1C 1540134379 WJROOHCZCQVRSR-HSZRJFAPSA-N 434.588 4.531 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC2(CCCC2)C1 1540857887 URDMUJRVFOPRGV-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C#CCN(CC)C(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1543656022 LMQFTHSCPMEOAB-FQEVSTJZSA-N 430.548 4.519 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CC#N)N(C)C 1545807112 AZEZPNPMMTZENF-JPYJTQIMSA-N 433.604 4.598 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(CCOC)CCC1 1546626910 DLEVIYGOWCPABY-PZJWPPBQSA-N 437.588 4.560 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)c(F)c1 1556261755 SJBKAMSOFSANSY-JOCHJYFZSA-N 442.487 4.813 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cc(Br)cc(C)n1 1559059115 WGOIWQYKMNMVRY-UHFFFAOYSA-N 435.322 4.799 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCCC[C@H]3[C@@H](O)c3ccccc3)c2C#N)C1 1559642942 HNCRRGRHHRZBQV-GQOCTPOGSA-N 437.609 4.661 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CCCc1ccccc1 1561403183 ADJGLSZSNMIQAU-FQEVSTJZSA-N 447.398 4.887 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccco1)N(CC)CC 1562928343 DDCFVWQERGEBIL-KRWDZBQOSA-N 436.350 4.812 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 1565689472 DJOKFTWZTWZTCN-INIZCTEOSA-N 430.379 4.824 30 10 IJEE C=CCC[C@@H](NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)c1ccc(C(F)(F)F)cc1 1566675834 LZKOKIYPDVDRPU-NFBKMPQASA-N 430.470 4.677 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)C(F)(F)F)cc1 1587315567 RBWTVXVFZHCCOI-OAQYLSRUSA-N 440.421 4.565 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H](C)c1nccs1 1587769713 MIVJAZMNUUMUGJ-INIZCTEOSA-N 429.540 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1589503154 BSHIRVDYTYJEDW-HQRMLTQVSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1589580610 OKEHOGWFPDTDMA-WSWWRLHASA-N 442.604 4.716 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1594089853 AOSBZNDYRNFWON-FQEVSTJZSA-N 443.979 4.667 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1594608721 VQNLEOVTARXNEX-HNNXBMFYSA-N 446.477 4.729 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1594713466 BUDHSLXGXSRNRE-FQEVSTJZSA-N 443.473 4.903 30 10 IJEE C=CCCCn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594775710 XMYHFQJHRUSALY-AQNXPRMDSA-N 431.625 4.887 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1595134215 VJWJFIJZXSFGIW-WIOPSUGQSA-N 449.574 4.657 30 10 IJEE C=CCn1c(N(CC)Cc2c(F)cccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453332 URMVTJNCWHNEFJ-IYBDPMFKSA-N 447.530 4.540 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCc2nccs2)cc1 1595614447 UFQGFCRKNCFRRB-UHFFFAOYSA-N 425.602 4.615 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)C[C@@H](C)C1 1595659190 VAJJCVZFGHZNRY-QZTJIDSGSA-N 437.613 4.729 30 10 IJEE COc1ccccc1[C@@H](CC(C)C)OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1595972959 CFHHFXUGWSBLMA-HTAPYJJXSA-N 440.927 4.904 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 1597299648 VLJIMRMZBUTVDG-GFCCVEGCSA-N 425.259 4.916 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 1597863342 WVRNABXNMNLCEO-NRFANRHFSA-N 443.588 4.856 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)c1ccccc1 1603518081 NMLITCMDVXPNAN-PMERELPUSA-N 428.554 4.607 30 10 IJEE C[C@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CC(F)(F)C1)c1nccs1 1611446945 AJGSWIBKEYYVHN-CQSZACIVSA-N 428.512 4.558 30 10 IJEE C=CCn1c(SC[C@H](O)c2ccc(F)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1613104416 FZNQDJPZFOMAKR-DYVFJYSZSA-N 430.570 4.734 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2sc(C)c(C)c2c1=O 1613269858 PCUSGXKOFRLKKX-DLTLXFJOSA-N 433.643 4.682 30 10 IJEE C#CCCN1CCC(NC(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)CC1 1618544881 DGHHTLIMASVRFR-UHFFFAOYSA-N 431.418 4.563 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1620239834 BYKDUHMWIUJXEA-AZUAARDMSA-N 427.643 4.682 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)C(C)C 1628517487 UMELAOSMEXNKHF-RTWAWAEBSA-N 434.422 4.994 30 10 IJEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1629461077 IDRNGCCYVDIVHC-UHFFFAOYSA-N 443.931 4.991 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)c(Cl)c1 1636512998 YOCJHQOYGMTRLW-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE CC1(C)C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c2cc(F)ccc2O1 1636673537 BSFOLYXYCKNUNN-FQEVSTJZSA-N 441.478 4.692 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(Cl)c(Br)c1C 1638563644 YHEKCZCUQUUBHR-LBPRGKRZSA-N 446.773 4.994 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 1638625999 ALKRASPHBRICLK-XCLFUZPHSA-N 433.455 4.528 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3cccc(Br)c3)nnc12 1640590995 JXICCAHTWFFIFG-ZDUSSCGKSA-N 441.354 4.846 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C12CCC2 1643983486 GATRPAAXJVDGOD-VXKWHMMOSA-N 447.535 4.916 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1)C(=O)OC 1644819210 DCLDCCNVFGBGAH-JOCHJYFZSA-N 435.499 4.615 30 10 IJEE CCc1cccc2c1N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)CCC2 1653670310 DUWGDMYFEIRLBI-UHFFFAOYSA-N 442.563 4.928 30 10 IJEE C=CCCn1cc(CN(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)nn1 1657855698 UBLQHNWPWIAVPI-QFIPXVFZSA-N 430.474 4.609 30 10 IJEE C#CC1CCN(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)CC1 1658630294 JKXXYVWUUZICFQ-UHFFFAOYSA-N 436.987 4.539 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1OC 1661406617 IUOPQKIDHDFYOO-INIZCTEOSA-N 448.966 4.864 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 1662573472 KMYIZXPSIZWJDB-HXUWFJFHSA-N 444.373 4.973 30 10 IJEE CN([C@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccsc1C#N 1665316242 LQFURZNIRHCDQE-LJQANCHMSA-N 447.379 4.792 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C1CCOCC1 1668193618 SIPJNKPAVQDMRF-HXUWFJFHSA-N 436.899 4.625 30 10 IJEE N#Cc1ccc(CCNC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 1668354393 HERMUVVZAKVNJT-UHFFFAOYSA-N 435.531 4.512 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 1668746577 AEKNUFQVCIMDMP-NRFANRHFSA-N 448.567 4.591 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccncc1 1669191464 HDNKPUSJRLKXIT-GBXCKJPGSA-N 428.577 4.664 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H]1COc1ccc(Br)cc1)c1ccccc1 1670721590 DTAJSDKPMLLVDK-FPOVZHCZSA-N 427.342 4.767 30 10 IJEE Cc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2=O)cc1 1681283156 FDSFATZWPBIGDM-FQEVSTJZSA-N 438.531 4.653 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 1683854734 PDHDOHYRBWFJMF-UHFFFAOYSA-N 428.495 4.657 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(F)c(F)c1 1686173191 DHOMKBYNTXNXES-NZSAHSFTSA-N 426.385 4.816 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 1686184627 MTUOUYPYPCHNEO-QFIPXVFZSA-N 434.337 4.609 30 10 IJEE C#C[C@H](NC(=O)N1CCc2ccc(Br)cc21)c1ccc(Br)cc1 1686920430 XRSMBFCFRVKISU-INIZCTEOSA-N 434.131 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1689824046 GJOHHADZWMLVDE-SCTDSRPQSA-N 447.505 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C(CC)CC)N(C)C 1689835962 VXOIDHSZVXKFLP-WFXMLNOXSA-N 441.689 4.956 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC[C@@H]1C 1690003360 LFYUWJTXVNJUSU-RXVVDRJESA-N 429.593 4.886 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@H](O)C1 1690198634 WODZQDVCQOYAPY-ULYRPOKDSA-N 433.383 4.795 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1690229733 DYYSRJSJAFURFG-HKUYNNGSSA-N 445.405 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C1CC1 1690252151 AKIWDPUTLNRJQT-VLIAUNLRSA-N 437.371 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@](C)(CC)O1 1690259654 RKKUYKMVXIOXAL-CYFREDJKSA-N 428.577 4.712 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N(CCOC)CC(C)C)c1ccccc1 1690322836 SBPHWWCAQRIBFL-UHFFFAOYSA-N 425.964 4.816 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cscc2C)CC1 1690399467 YEGWMSBXOSPTOP-UHFFFAOYSA-N 446.418 4.867 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)c1ncc(C)s1 1690534682 HMVQCTMPESRNHE-RDJZCZTQSA-N 446.621 4.541 30 10 IJEE C=CCn1c(N(C)[C@@H](C)c2ccc(F)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690652348 FRZXCRCJAPYTCN-VDZJLULYSA-N 429.540 4.571 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCCC2(F)F)C1 1690705026 ADERRRJXCNGLBX-SFTDATJTSA-N 430.543 4.784 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1690752583 MDJICZVWJOCWCB-MOPGFXCFSA-N 449.665 4.896 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)COCC 1705607653 LLGRCVHESLUZRG-UHFFFAOYSA-N 433.394 4.538 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C1CCCC1 1705708218 ZOYAKGOGZVDIEY-ZHHKINOHSA-N 430.637 4.947 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(CC2CCCCC2)CC1 1705732644 GQBMOSMYDSMTHV-UHFFFAOYSA-N 437.632 4.549 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccc(C#N)o2)CC1 1705771237 LXSMRHHSWCWXTG-UHFFFAOYSA-N 431.540 4.958 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1705797365 VBTDUPXFQVAGHK-BJKOFHAPSA-N 438.616 4.521 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1snnc1C 1705798193 MFMBULYZRUMWOD-UHFFFAOYSA-N 433.585 4.884 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1705819295 ISZQENAFJJZUCO-UHFFFAOYSA-N 437.419 4.861 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1ccc(OC)cc1)C1CC1 1705856187 JHZSKOPQUWQQBC-DHIUTWEWSA-N 438.616 4.993 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCOc1ncccc1Cl 1705871543 NRCLKXPFIBAHCR-UHFFFAOYSA-N 446.942 4.799 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1 1705878975 IMYUIOJLXAEVGB-VQTJNVASSA-N 436.556 4.597 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC1(OC)CCC(C)CC1 1705881201 GEVFDRPVHWBUDQ-UHFFFAOYSA-N 432.996 4.833 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1722313178 QSECIYVXRKRBSP-RPWUZVMVSA-N 429.568 4.748 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C(C)C)C1 1722323896 ITUWDAXMOFAQET-PZJWPPBQSA-N 445.007 4.963 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1722494189 LVXDCNZXCHFBTE-WBVHZDCISA-N 428.886 4.968 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722520659 DJPCYJATPWWOJX-OAQYLSRUSA-N 435.616 4.561 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1CC 1722530269 CKQGOQLVZKBYAI-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1COC(C)(C)OC1 1722601559 HYOSWJGJIQHYPG-UHFFFAOYSA-N 435.572 4.685 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1c(C)noc1C 1722636403 IKSTXDXSILAMPV-CYBMUJFWSA-N 430.350 4.738 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCC1 1722660642 AYUHTTQRAZSOGP-FPOVZHCZSA-N 428.552 4.524 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC2(CCCC2)C1 1722683578 QDMRMJIASWPHAF-UHFFFAOYSA-N 437.769 4.696 30 10 IJEE CC(C)[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1)c1cccnc1 1723123983 DWUZNTAPXGWNEI-BVAGGSTKSA-N 446.574 4.730 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H]1C[C@H](F)C1 1740647676 XRIIAQZOJJZIMZ-XUTJKUGGSA-N 447.583 4.978 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC2(CCCC2)C1 1740723244 OEMRQDDWBXGIQX-WOJBJXKFSA-N 430.662 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCCN1CCC[C@H](C)C1 1740734239 WCJIVWNVLBHVHT-WNCULLNHSA-N 449.643 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(C)o1 1740761535 XLHBCVSGVOILPY-SBUREZEXSA-N 442.510 4.666 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)cc1 1740793044 OSYZEJWOCNDCHR-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCn2cc(Cl)cn2)CC1 1740832651 FUTWVOYRHJGBGO-INIZCTEOSA-N 444.942 4.510 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([S@@](C)=O)CC2)CC1 1740835616 AQIJXRPFDHFCFJ-MUUNZHRXSA-N 439.412 4.565 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1740864511 ADEBYUVACATAMV-UHFFFAOYSA-N 440.588 4.644 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740871132 RKFYBRSJAFXEBH-SJORKVTESA-N 448.409 4.645 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 1740908647 GBGVXAHEFOPXBW-OXQOHEQNSA-N 443.389 4.844 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCCC1(C)C 1740920960 ZNQQKQHBYOWPEL-SANMLTNESA-N 449.574 4.537 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1740929755 GZUJQJPTAJVPBK-REWPJTCUSA-N 448.640 4.972 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 1740933929 LCJGVXYRRPSZNE-SJLPKXTDSA-N 444.649 4.572 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](CC(C)C)C2)cc1 1740967767 PUDAUYHJEURMEL-QHCPKHFHSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)Oc2ccc(Cl)cc2)C1 1740974362 FFAWKOOHUIWKSM-PXNSSMCTSA-N 442.947 4.749 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(OC)C1 1740997116 VDALPEHJGOKTRL-YKSBVNFPSA-N 444.645 4.959 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1740997318 YIYFXWSIGCXGEQ-GIVPXCGWSA-N 444.645 4.958 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2)n1 1742519508 DDYMLVLLWDLZIE-MRXNPFEDSA-N 448.552 4.527 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1c(C)noc1C 1748698230 FCLTUJRVJKAMIL-GOSISDBHSA-N 425.508 4.602 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1748702496 JVIKOTFGLGSNJM-LJQANCHMSA-N 434.506 4.814 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc(Cl)nc1 1748835796 IZVYELAZBAPWQV-UHFFFAOYSA-N 447.970 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1CC(C)(C)N1CCCCC1 1749166006 UYXGDJJVVPVQGU-UHFFFAOYSA-N 425.621 4.832 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1749429633 BSANQVSONDCAJR-UHFFFAOYSA-N 441.929 4.563 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@H]1C(C)C 1749473251 CEGGSZYRLSOPJK-MJGOQNOKSA-N 433.394 4.699 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749538563 LETBOURTBPGFLC-LVXARBLLSA-N 432.616 4.976 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H]2C(C)C)C1 1750830686 GAAICDYRMXSUAL-VWNXMTODSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760099508 HSTSUQNNBIYOAU-ICSRJNTNSA-N 439.604 4.581 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)C(C)C 1760104965 KAYHQVDPIOOATA-HNNXBMFYSA-N 433.394 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC1CCN(CCC(C)C)CC1 1760108422 FXOCUQPKTMWEOJ-IBGZPJMESA-N 428.024 4.815 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(Cl)cc1 1760167658 XLNFXAXZFGNKJU-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCC(C)(C)C1 1760228885 VVVBUGSZTWPOFN-LJQANCHMSA-N 439.673 4.713 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)[C@H]1C 1760342232 BQTCQJVOSNKHJM-OLZOCXBDSA-N 425.371 4.753 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2CC(OCC)C2)CC1 1760382197 LJGVYJCTYACCEQ-HDYDNRTBSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760423139 XYFMFHSYMIDVQN-HXUWFJFHSA-N 442.514 4.978 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cccs2)CC1 1760433823 WHSHYFKJLQMQKQ-SFHVURJKSA-N 441.576 4.912 30 10 IJEE C=CCn1c(-c2ccccc2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1760508985 AMCIYPNLECATSJ-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)c3ccc(F)c(F)c3F)cc2)c1 1858906464 UDCNZWPQSVVZRB-UHFFFAOYSA-N 425.366 4.516 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(OCC)cc1 1861370299 XSZIKYKMVZURMM-DEOSSOPVSA-N 440.584 4.609 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(OC)cc(OC)c1 1861485023 MCLRXPRWKJFKNM-DEOSSOPVSA-N 440.584 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862430898 VGFYJLXUMJAVQA-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862442928 VYWGJMZUKKZAHW-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862451192 ZAILBYFIMIWYCC-IBGZPJMESA-N 444.871 4.578 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862457002 FWDJTKHSSMBIJQ-FQEVSTJZSA-N 433.426 4.968 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1c(F)cc(F)cc1F 1862457064 GWMGUOKVVPFYPW-IBGZPJMESA-N 445.418 4.650 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862478256 CESITNHYVSMYCE-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1O 1862480546 JFHWYIWPBFXDJX-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(Cl)cc2)c1 1862491437 SOWCIIPBSFOXGU-OAQYLSRUSA-N 435.911 4.501 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)c1 1862506467 OEZPHRZVQIFQGW-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c(O)c1 1862557740 OVCCAJBETOUTAV-AVRDEDQJSA-N 438.524 4.617 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC)c1 1862669145 PFASVWMAJLAVQQ-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(OC)cc2)cc1 1862689311 NISZZKQMHVGNMX-QFIPXVFZSA-N 449.528 4.586 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862703573 IZCQCOXPQAJVDQ-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862719239 LLNYLQLVGHHXBQ-FQEVSTJZSA-N 436.851 5.000 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862748566 FBJWPDXFOPXAQO-NRFANRHFSA-N 448.500 4.997 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1cccc(F)c1 1864828034 HBNCSMCRGLQVCX-NRFANRHFSA-N 442.579 4.912 30 10 IJEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870111626 WJRIMOUEUHWKBK-WOJBJXKFSA-N 427.895 4.747 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 1870145869 SVBYBDSQRQROJG-GOSISDBHSA-N 446.555 4.515 30 10 IJEE CN(C)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871348537 KHZPKMACXUCNLE-MTJSOVHGSA-N 430.907 4.589 30 10 IJEE C=CCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2cccc(OCc3ccccc3)c2)[nH]1 1871634399 UBVTVPCKYBYAIU-UHFFFAOYSA-N 446.599 4.652 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871890751 OUQQSDQOTYCLMH-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871922830 DIQOGKGFBMCCHN-XXBNENTESA-N 444.597 4.624 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873161787 SBEOXLVCZNEGPG-UHFFFAOYSA-N 430.552 4.793 30 10 IJEE N#Cc1ccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3cccnc3)C2=O)cc1 1873285869 VBYVXASZQWARBK-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(F)cc1F 1874236617 RBJKMPSRAJDSBQ-ZMOGYAJESA-N 432.496 4.918 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccn1C 1874314468 VPWZZZAKPOQYEA-KOEQRZSOSA-N 431.565 4.585 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1/N=C/c1cccc(OC)c1OCCC 1874386071 XABDCLHJVJZBGO-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1O)Nc1ccccc1 1874405247 OCNWZFCXNYMAHN-PCLIKHOPSA-N 449.580 4.720 30 10 IJEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874516917 HSONXFDDKKMLAR-UFFVCSGVSA-N 431.905 4.843 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2Cc2ccccc2F)c1OCc1ccccc1 1874561636 AAQDUOFJCJNGLV-CVKSISIWSA-N 448.523 4.767 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2Cl)cc1OC 1874568586 GRGDOMXIDLBDTB-OEAKJJBVSA-N 446.960 4.521 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c([N+](=O)[O-])c2)cc1 1875114625 YRNBASZOIPKZLW-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccccc1 1875151401 JULAZEABWUIHGL-DHZHZOJOSA-N 430.456 4.858 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)c(C#N)cc2F)CC1(C)C 1878905716 OKXKLNAHKAOSCB-LBPRGKRZSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCOC2)C1 1934841055 BFRJHWAEDRVRAZ-RRPNLBNLSA-N 447.579 4.751 30 10 IJEE FC(F)(F)c1ccc(NN=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)nc1 2053528030 JCRLJDAWXLHDDK-UHFFFAOYSA-N 428.458 4.962 30 10 IJEE C#CC[C@@H](C)C[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076098987 MVMPLZKZQQHYMS-VWNXMTODSA-N 441.660 4.964 30 10 IJEE CC[C@H](c1ccc(OC)c(C)c1)n1nc(C(F)(F)F)c(C#N)c1I 2080011910 HQHBMHCSAOZJCX-GFCCVEGCSA-N 449.214 4.695 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)[C@H](NC(=O)OC(C)(C)C)COC2(C)C)c1 2081890266 OAURZLRIZVSHKP-KOSHJBKYSA-N 445.560 4.701 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3cc(Cl)cc(Br)c3)C2)OC1(C)C 2098175310 JUQMGZSMSYNTRJ-CYBMUJFWSA-N 428.563 4.801 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(Br)cc1F 2102883962 KTESSTUDOHLXQL-WBVHZDCISA-N 431.321 4.685 30 10 IJEE CC1(C)OB(c2ccc(OCc3c(F)ccc(Br)c3F)cc2)OC1(C)C 2154475275 JBUVOPDORFXDOH-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1(C)C 2180919404 CXFKPJWKKXYVGG-IKGGRYGDSA-N 443.426 4.875 30 10 IJEE C=CC1(Oc2ccnc3cc(Br)cnc23)CCN(C(=O)OC(C)(C)C)CC1 2198829626 PYYIHFNWEKQHFI-UHFFFAOYSA-N 434.334 4.727 30 10 IJEE Cc1ccc(C#C[C@H](O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2231161233 IGBTUGXMCMWGSF-VWLOTQADSA-N 448.607 4.657 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1C(=O)C#Cc1ccccc1Br 2235727791 ZGEUGEXHADXOKX-IBGZPJMESA-N 432.358 4.940 30 10 IJEE C#CC12CC(CCN1C(=O)[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(C)C)C2 2245140548 BWYIPUYMZXUVDI-RVSWETABSA-N 442.559 4.564 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(N)C#Cc2cccc(Br)c2)C1 2296270937 BNLDYLLMRYHVEK-KPLVRAHFSA-N 433.390 4.555 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 2296272769 MBVGJZLWKRJQDD-UXHICEINSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)C1 2296298744 NHITXYRHDMFMRG-NBCNXNJRSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC=CCC1 2296305245 QWZXIJIKQBPDBN-RLLQIKCJSA-N 433.390 4.638 30 10 IJEE CCCCSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccco3)[C@@H]2c2ccccc2)s1 2296347535 PYOBVJKRFMISNQ-INIZCTEOSA-N 441.534 4.650 30 10 IJEE Cc1nnc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)s1 2296592266 CRFLMKZIZZHIQV-INIZCTEOSA-N 446.315 4.780 30 10 IJEE O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccc(Cl)cc2Cl)C1=C(O)c1cccs1 2296927113 RTJQYORUCBOHPM-PXAZEXFGSA-N 438.332 4.656 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296933257 ACZBLHXKIFAVBZ-FQEVSTJZSA-N 434.517 4.703 30 10 IJEE CCCN[C@@H](C#C[C@@H]1CC1(F)F)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302312981 MPENTKGCWVFWIP-QHAWAJNXSA-N 436.543 4.513 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CC2(CC(CNC(=O)OC(C)(C)C)C2)C1 2305404012 SCSZYEFKCVRHOK-UHFFFAOYSA-N 428.573 4.603 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Cl)cc(Br)c1F 2315458875 RMSVVPGXEUMLJX-GOEBONIOSA-N 433.749 4.809 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2315460978 OYABKDBPMFAALA-ZBFHGGJFSA-N 433.749 4.809 30 10 IJEE CC[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2317347573 ZUKYXIITZMQQKY-SJLPKXTDSA-N 432.370 4.797 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)c1 2321981679 KAJWMEBJIORTPG-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324304869 KJYLTUVLQMGMNG-CYBMUJFWSA-N 444.867 4.542 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c(OC)c1 2324946510 RPJAYBGIJHYXBY-UHFFFAOYSA-N 449.459 4.547 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)ccc3C2=O)cc1 2324982555 HKLILVJBSDEETM-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325075850 CJEYJNMUDCHVIG-CQSZACIVSA-N 448.874 4.751 30 10 IJEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)c1 2325301822 YYWGPYQTATZEIY-INIZCTEOSA-N 440.455 4.589 30 10 IJEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2325669099 ZWPBKHLYAGSORL-UHFFFAOYSA-N 428.326 4.848 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cn(C)c2ccccc12 2327476034 CHJMHYWQEFKEFQ-UHFFFAOYSA-N 439.491 4.787 30 10 IJEE Cc1cccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329035295 HMGBBRACVHXQQJ-JOCHJYFZSA-N 447.608 4.528 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCO)cc1 2330301520 QGMOXNSVPMXASC-UHFFFAOYSA-N 430.618 4.937 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2cccc(F)c2)o1 2331450571 ZUCDZBYPKMDTFS-UHFFFAOYSA-N 430.505 4.560 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)C=Cc1ccc(F)cc1 2332188607 RJELWIYZQQIFQK-UHFFFAOYSA-N 439.450 4.509 30 10 IJEE N#Cc1cccc(Br)c1Nc1cc(F)c(I)c(F)c1 2341214286 KQZHPSYCYZSNPR-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)c3ccc4c(c3)OCO4)c1)C2=O 8823906 SSINMLLJOPGPAO-KSEXSDGBSA-N 430.412 4.649 30 10 IJEE N#Cc1ccc(-c2csc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 9915474 LYBWEKVKOVMDQA-UHFFFAOYSA-N 445.953 4.528 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C1=O)cn2C 37858026 ALLOFORPFNVPQA-CACIFTLBSA-N 432.520 4.741 30 10 IJEE C=C(Br)Cn1c(CCCNC(=O)CCc2ccccc2)nc2ccccc21 40209304 WNFLRNYMVPXGJJ-UHFFFAOYSA-N 426.358 4.627 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 100209060 MAYCCHIMZJSKTQ-MHWRWJLKSA-N 430.869 4.792 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1 102907153 DOCOBSOWSRBCBT-GOBJLOIFSA-N 434.835 4.875 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(OCC#N)c(Cl)c2)C1=O 107480912 MVCBPNDEONKGIB-QGOAFFKASA-N 440.908 4.786 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1OC 110528953 BWKCRHSOPOQLAL-FSJBWODESA-N 433.416 4.807 30 10 IJEE Cc1nc(COc2ccccc2/C=C/C(=O)N[C@H](C#N)c2ccc(F)cc2F)cs1 111029886 JDMRVKSGXYHDSN-AQDCRGGLSA-N 425.460 4.703 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2O)cc1 169923847 LSPLEAIPDIWRFW-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(N(C)C)cc1 169957041 KTUJETKEDMIJJQ-DEOSSOPVSA-N 448.563 4.981 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)cc2)c1 169963023 WQGYOCONMHHRMQ-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccs2)c1 169982609 UGMGIXHPPCKHLE-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccccn2)cc1 169990723 LUULRJOTMWZSDB-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)c1 169996892 MJVYFEXLYTXQGF-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2ccncc2)cc1C 170022665 ZFQKPYPVKPJLPH-NRFANRHFSA-N 434.879 4.840 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCOC(C)C 170122211 ZTEIGUMKHXSCEO-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(O)cc1 170133180 WEOOVDVHWJAKLK-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)cc1 170171596 BDILVEYFYSSWHN-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccnc1 170195920 PYPLPHUFWQHPKA-HXUWFJFHSA-N 428.916 4.902 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OCCC)cc1 170215420 BHPFANFIJKQSKM-QFIPXVFZSA-N 437.492 4.583 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 170240198 JYVMOMOXVREZKC-NRFANRHFSA-N 432.407 4.825 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2F)cc1 170249387 FJVRZNZXRNMTAX-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccco2)cc1Br 170295921 ZGPLPDFRNNBVOV-SFHVURJKSA-N 446.297 4.572 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2CCOC(C)C)o1 170298586 DLOFFJXLVGDVMV-JOCHJYFZSA-N 441.524 4.626 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170367420 WFPLGXHXGGDEFW-NRFANRHFSA-N 434.879 4.840 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(N(C)C)cc1 170446960 ODRMNOLZQCOHBQ-OAQYLSRUSA-N 435.549 4.878 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N\N=C/c2cccs2)N1Cc1ccco1 210561092 ZCOLXRQOLVETJK-NUVRDJMXSA-N 438.490 4.756 30 10 IJEE Cc1cccc(C(=O)[C@H](C#N)c2ccc(Br)cc2)c1I 235920139 CRBSOTGTDWFOBG-CQSZACIVSA-N 440.078 4.852 30 10 IJEE COc1ccc(N=C2S/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2CC(C)C)cc1 252588611 ACXWKVCECXLKFW-ZIHRUFSKSA-N 426.538 4.972 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2 253567396 JZPIPCHGBPNOHA-KNEUKCCGSA-N 436.625 4.901 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(C(F)(F)F)c1 254317462 LVIZQIQQGJMMIR-OAHLLOKOSA-N 441.862 4.949 30 10 IJEE COc1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1O 254482840 FPYJNWAIKCKVPR-UHFFFAOYSA-N 427.468 4.519 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCC 406599750 VQFSWELRMQSMOA-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCCC 406611760 ZIUYAJYWPLLHLV-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC[C@H](COC)C1 508696675 HZAQHHMXYCSRPQ-FQEVSTJZSA-N 436.531 4.712 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccnc2)cc1OC 526515649 JCFBJQSFDXHTIW-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)OC)c1c(F)cccc1Cl 543152386 PYBZMRKCPSJZSK-IBGZPJMESA-N 447.919 4.842 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 549281496 YXWGLOCRFDNWLP-YADHBBJMSA-N 435.572 4.796 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1csc([C@H](C)OCC)n1 569360555 ZXTMSRGTPZOMNQ-INIZCTEOSA-N 427.574 4.720 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 578177172 DWRHKLQZFZXMCS-NRFANRHFSA-N 425.540 4.595 30 10 IJEE C=CCN(CC=C)C(=O)N1CCC[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1 585962112 FLZWHCCECPXBBX-DEOSSOPVSA-N 431.580 4.583 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)c(F)c1 687737737 OFTCFCAKUNWRBX-AREMUKBSSA-N 444.462 4.926 30 10 IJEE O=C1/C(=C\c2cnn3ccccc23)CN(c2ccccc2)C/C1=C\c1cnn2ccccc12 729643917 KXEMGVBTQLUBNI-OQRYGUKSSA-N 431.499 4.538 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC2CC2)c1 736047258 LWHNMFXCVLOVIN-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE O=C(/C=C/c1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccc(C(F)(F)F)nc1O 755588897 WRLCNZIYURRYBG-GORDUTHDSA-N 429.185 4.590 30 10 IJEE CC[C@H](C#N)Oc1cc(CN[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)ccc1OC 763262089 LUAPHWVLLWCJIN-YLJYHZDGSA-N 437.323 4.687 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CCCN1C(=O)OC(C)(C)C 790481987 HJSRYTQMDHFVSN-VWLOTQADSA-N 438.572 4.615 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)CCCN1C(=O)OC(C)(C)C 790508753 SRPFFHMEXSCYFL-DNRQZRRGSA-N 428.573 4.616 30 10 IJEE C=CCn1c(SC[C@H](O)c2cc(F)ccc2F)nc2sc3c(c2c1=O)CCCC3 916981728 NRIDMDXLVNTYJE-INIZCTEOSA-N 434.533 4.627 30 10 IJEE C#CCOc1ccc(C(=O)N(CCN(CC)CC)Cc2ccc(Cl)c(Cl)c2)cc1 1125935999 JBQMVVVFPATPGW-UHFFFAOYSA-N 433.379 4.990 30 10 IJEE C=CCN(C(=O)[C@H](OC)c1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1128110669 DKHDDWILSLINTN-LEWJYISDSA-N 449.469 4.582 30 10 IJEE Cc1ccc(Oc2ccccc2CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1130562906 DFYGGCFDMZMHSB-UHFFFAOYSA-N 439.559 4.982 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl 1131512520 GFNJPTQXNTWNCC-KDURUIRLSA-N 444.984 4.878 30 10 IJEE C=CCCOCCCCC(=O)Nc1cc(F)c(Cl)cc1I 1131977901 IEAWULMPJICBFZ-UHFFFAOYSA-N 425.669 4.785 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(I)c(F)cc1F 1138257547 NUHNMBIFXXIMKM-UHFFFAOYSA-N 443.231 4.720 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)c1ccccc1 1141704876 CBSYFPAGSCREPF-UHFFFAOYSA-N 436.533 4.637 30 10 IJEE C=C[C@H](C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1150696364 WSPCMALOGQGHKO-AVRWGWEMSA-N 426.516 4.957 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc3ncn(C(C)C)c3c2)CCCN1C(=O)OC(C)(C)C 1153889354 MTFFSCILORZQGM-DEOSSOPVSA-N 426.561 4.579 30 10 IJEE C=CC[C@@H](NC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)C(=O)OCC 1154004224 KTCFYONGFAXDCA-LJQANCHMSA-N 431.517 4.749 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CCCC1(C)C 1156189712 DIZJCVNFHPSZOV-QHCPKHFHSA-N 440.609 4.680 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1cc(Br)ccc1F 1167294596 SZKBDNIHIKOODH-AWEZNQCLSA-N 425.367 4.685 30 10 IJEE C#CCN(Cc1ccncc1Br)[C@H]1CCOc2ccc(Br)cc21 1167421487 UVNOQOSQYINXTL-KRWDZBQOSA-N 436.147 4.566 30 10 IJEE CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1C[C@H](OCC)C12CCCC2 1167442731 IFRKKKRSRTUKAI-SFTDATJTSA-N 429.630 4.887 30 10 IJEE C=CCN(C(=O)CN[C@@H]1CCO[C@H]1C=C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1170358329 RMKIMEPXFWSXQY-AEFFLSMTSA-N 438.380 4.569 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2c(F)ccc(Br)c2C1 1194746414 UKWWZDKDDDLUQF-CQSZACIVSA-N 437.378 4.611 30 10 IJEE C=CCC1(NS(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)CCCCC1 1211861575 RUEBQCOVDAKEGO-UHFFFAOYSA-N 449.754 4.507 30 10 IJEE CN1CCC[C@H]2CN(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CC[C@H]21 1219255742 BJMKRKHCHQJHGI-SWLSCSKDSA-N 441.391 4.924 30 10 IJEE C=CCC[C@H](NC(=O)Nc1scc(C(=O)OCC)c1C(=O)OCC)c1ccccc1 1219817903 XCXYVARBERJBQJ-KRWDZBQOSA-N 430.526 4.931 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1252601026 LJMAYDNEVFWKHH-QFIPXVFZSA-N 435.568 4.793 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1256625567 FQPPWJQTAWDRRD-NFBKMPQASA-N 448.542 4.855 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc(OC)c(OC(F)F)c1 1275390243 VIMFGSHFHZPPER-UHFFFAOYSA-N 442.256 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCS1 1286282482 QXAKIMDVCWKHNP-DOTOQJQBSA-N 433.419 4.760 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOc1ccc(F)cc1 1286366007 QHJIUMKZKDVHLC-QGZVFWFLSA-N 438.572 4.809 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)c1ccccn1 1286382742 ZGRTVBJYJARRSQ-UHFFFAOYSA-N 425.989 4.666 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1286653958 BNJXIKQSEPEOLF-QHCPKHFHSA-N 432.616 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCN2CCC)CC1 1286654088 DLAHALLMYDMGTN-FQEVSTJZSA-N 444.023 4.884 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCN(CCC)C2)CC1 1286657282 WAXQWIAUPLMBSE-FPOVZHCZSA-N 441.595 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286669160 XEXRFKHCDQIUPE-XMSQKQJNSA-N 440.588 4.570 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1286712412 YKIZNBQQHWUEEC-ISKFKSNPSA-N 437.632 4.518 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1286760106 JUCOSMNXVUWWLP-QZTJIDSGSA-N 430.980 4.893 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1OCCC1(C)C 1286763284 HLXBVAKSAZRUTI-LJQANCHMSA-N 441.963 4.637 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C2CCOCC2)C1 1286830517 RIQXZSYTNCYQNU-SFHVURJKSA-N 433.021 4.771 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(Cl)c1 1300327479 CIJPWAZRULHOPH-APWZRJJASA-N 443.979 4.510 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](OCC(C)C)C1 1300341753 KUAOQFGAAOQYGQ-OAQYLSRUSA-N 431.584 4.857 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(CC)C1 1300361535 HFIWRXQKQUQVBJ-CJFMBICVSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(CC)(CC)SC 1300528376 VJBYUDUTQWCGSL-UHFFFAOYSA-N 433.581 4.595 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)c1ccccc1 1300605862 AXBSROKMNDTIHT-UHFFFAOYSA-N 433.625 4.871 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 1300737396 PTDJSVPVPOYFEA-VFNWGFHPSA-N 434.508 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1300876919 SSPACFSLHSNNDA-JKBKZWBZSA-N 430.618 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)c1ccco1 1300906317 NGTYFLPINQVAKF-JOCHJYFZSA-N 430.936 4.510 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(Br)s2)CC1 1301078345 OFAWXPNDTGHADZ-UHFFFAOYSA-N 432.391 4.507 30 10 IJEE COCC1(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)CCC1 1301106662 DDHDMXYGUKJEOX-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)CCCS2)CC1 1301119753 VCPLACDDMFZMFX-QHCPKHFHSA-N 428.602 4.650 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CN2CCCCC2)CC1 1301129794 BKGOHJBUFNPWGK-QFIPXVFZSA-N 437.632 4.690 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C=C)CC1)c1ccccc1 1301168088 LSDOCTKOOYYSFK-DEOSSOPVSA-N 430.600 4.902 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1301189807 GJEUUIJNAWXLRA-LJQANCHMSA-N 437.613 4.993 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1301214489 AREGMYKMVZPHFZ-UHFFFAOYSA-N 430.478 4.585 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CC1(SC)CC1 1301342224 TVAWRQFBJKHFNC-UHFFFAOYSA-N 435.622 4.890 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CC(F)(F)CO1 1301349211 LBXVBBWAXMGHKZ-LJQANCHMSA-N 430.524 4.547 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCC2CC(OC(C)(C)C)C2)C1 1301566776 QPVXMTYSFRDELK-ORFBVSJDSA-N 430.637 4.776 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(C)C)C1 1301620710 IZUKJMVGDVZEIS-FQEVSTJZSA-N 425.602 4.520 30 10 IJEE CC(C)c1csc(Cn2c(-c3ccccc3Cl)nnc2N2CC[C@](F)(C#N)C2)n1 1302541197 HRDLPUKUSDZBBR-FQEVSTJZSA-N 430.940 4.669 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccccc1 1309324586 VBGKEDUUDAWLRB-MRXNPFEDSA-N 432.261 4.511 30 10 IJEE CC(C)Sc1c(Cl)cccc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1310348744 GFAHERQCMHNCQB-CJNGLKHVSA-N 438.981 4.721 30 10 IJEE CCCOc1ccc(Cn2c(C(C)C)nnc2N(Cc2ccc(C#N)cc2)C2CC2)cn1 1313507779 FXVZJKBPWOAXMH-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)CCCN1C(=O)OC(C)(C)C 1351199213 FFUGKONSJRGREU-AREMUKBSSA-N 448.567 4.618 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)[C@H]1CCOc2ccc(Br)cc21 1353634073 JFQUTHWUKGARSO-JZXOWHBKSA-N 430.367 4.908 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSC(F)(F)F 1358878100 QEKGTOUNTFSMGN-QWHCGFSZSA-N 428.549 4.842 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCc2sccc2C1 1358921894 MHXHHEOFRCITBD-UHFFFAOYSA-N 428.508 4.974 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1coc(-c2cccs2)n1 1358989288 WRIIRGONYNTUPY-UHFFFAOYSA-N 447.951 4.826 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1359083380 IPWQQZVIPYOEOC-UHFFFAOYSA-N 446.349 4.922 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1359086033 HWKXONWNXWRMAG-GOSISDBHSA-N 445.386 4.886 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1359092988 IUMBJETWMRRSLZ-MHXAIHSWSA-N 438.616 4.837 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F 1359093485 OGMOZOOMUKYCPM-HOCLYGCPSA-N 446.420 4.526 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)CCC(C)C)CC1 1359158739 DCXWBTQCQYYBDC-NTKDMRAZSA-N 430.568 4.901 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1359206568 JDDKSEPXWGVBPB-AZUAARDMSA-N 447.624 4.616 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359285812 NWSAKCWKQWTXKI-QFIPXVFZSA-N 434.588 4.902 30 10 IJEE C#CC[C@]1(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1361026674 JHNIIIPOCFJLNC-RBJSKKJNSA-N 446.591 4.922 30 10 IJEE Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](F)(C#N)C2)s1 1361266669 COVLCSZXZIQWJB-MBSDFSHPSA-N 439.560 4.895 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)c1ccccc1 1439948533 ATDDGWFODHFKJX-YMXBGEKHSA-N 426.307 4.595 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2NCC(F)(F)F)cc1 1440894667 XGRJKJRAKLKMMV-UHFFFAOYSA-N 426.826 4.874 30 10 IJEE N#C[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1ccc(Br)cc1 1441055178 FGQFILOLBORSNW-GOSISDBHSA-N 442.700 4.865 30 10 IJEE CC1(C)CCCC[C@H]1CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1443664058 HOXULINZEFDGFZ-AZUAARDMSA-N 432.406 4.764 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(C)cc1OC 1447412656 NVKKOXBFQCFPDA-AWEZNQCLSA-N 447.757 4.741 30 10 IJEE O=C(c1ccc(-c2cccc(OC(F)(F)F)c2)s1)N1CC(F)(F)OC(F)(F)C1 1455958975 CRXBPZNJHRYTLZ-UHFFFAOYSA-N 429.313 4.972 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1)c1ccccc1 1456293519 PTJTUMJIQPLLJE-RPWUZVMVSA-N 448.563 4.933 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C)[C@H]2C)c1 1457490135 AYNXMDBJMMBICV-DLBZAZTESA-N 432.973 4.592 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H](C)c2ccc(OCC)cc2)nnc1-c1ccco1 1458565745 QPXSCAXVRLNYNL-MRXNPFEDSA-N 427.526 4.909 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc(OC)cc2Br)CCCN1C(=O)OC(C)(C)C 1458689170 RWXWHJBVTSOOMI-HXUWFJFHSA-N 440.334 4.709 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1458998301 KPAZLFVGNKJFQL-LAUBAEHRSA-N 449.469 4.662 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)c1 1461124230 IEXRESPBMRNKLG-LSDHHAIUSA-N 425.311 4.581 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1463273331 VDUNMNAZSAXAEK-WRGVRERRSA-N 428.554 4.882 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 1464560230 HLUFOUVTQWXVIG-KRWDZBQOSA-N 427.372 4.694 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@@]3(CO)CCCc4ccccc43)cc2F)c1 1465516187 FFDDLNOTMXTKDJ-AREMUKBSSA-N 445.494 4.622 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)[C@H]1CCc2ncsc2C1 1469798678 DFLYHAGORIMOTI-RDJZCZTQSA-N 442.025 4.665 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN([C@H]2CCc3c(Cl)cccc32)CC1 1473352314 FWJYVKNDQLDWHN-SFTDATJTSA-N 430.777 4.972 30 10 IJEE N#Cc1cccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)c1 1474855979 DVFIXPKGVXXXHO-FQEVSTJZSA-N 445.313 4.528 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 1478806379 ZABSSFXMNYROPK-LEWJYISDSA-N 429.358 4.719 30 10 IJEE CCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CCCC1 1502750380 BAPGITVMKGMLBZ-IBGZPJMESA-N 447.505 4.945 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCc2cccnc21 1507608064 DPYIIFGPQRORPJ-MRXNPFEDSA-N 426.351 4.836 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)OCCOC)n1C1CC(C(C)(C)C)C1 1507700332 QLZPGQLZFPWGEW-NLMOZGTASA-N 442.579 4.778 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1507844065 BLMHFWGMVKPVFE-UHFFFAOYSA-N 444.023 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(OCCOC)CC1 1507911408 GVVATKZOTOQCPO-UHFFFAOYSA-N 432.996 4.833 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCn2ccnc21 1507928540 HUPKADWCBSJXDB-JOCHJYFZSA-N 429.572 4.773 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCCOC(F)(F)F 1508005773 VUSIKSQWZIWFFL-UHFFFAOYSA-N 435.425 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCC1CCOCC1 1508008163 CTJUGIKDQGHIMD-UHFFFAOYSA-N 433.581 4.888 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1508047969 UPCAGZZPJGMVIV-UHFFFAOYSA-N 449.624 4.889 30 10 IJEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)CCOC1(C)C 1512574859 GDQMKNCUBXUCBW-AZUAARDMSA-N 437.588 4.559 30 10 IJEE C#CCO[C@H](C)C(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1523307909 LGKYROPUZWWWQJ-YJYMSZOUSA-N 438.724 4.680 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)CCC(=O)N3CCc4sccc4C3)c2C#N)[C@@H](C)C1 1527032076 HEQRIFZKFIWATD-KBPBESRZSA-N 427.595 4.671 30 10 IJEE C#C[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 1528062211 YMTJGHYLCJPEEN-NRFANRHFSA-N 430.870 4.831 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 1531772526 OMHPZFVTJSBLAK-UHFFFAOYSA-N 442.397 4.909 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)cc1 1534583496 GYHRDKDLGRMJKL-HUUCEWRRSA-N 445.610 4.588 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1536347822 BVXQVVFPHMPMAM-UHFFFAOYSA-N 433.323 4.904 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 1537944564 XAGHIBFXDRWXPI-XLNRJJMWSA-N 433.581 4.995 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1N(C)CCCC1(C)C 1538972132 JJOGGXDNSKXWDZ-IEIRFRATSA-N 437.632 4.613 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CN(C)C(C)C)CC1 1539071611 WNHRPKNAYYAKMI-UHFFFAOYSA-N 443.586 4.507 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H](C)c1ccco1 1539587562 HIWNOHMHWSUGCR-AWEZNQCLSA-N 447.333 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1539623039 JOYOYXRVVYGRGN-LGKPFJOYSA-N 438.616 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1539660084 RTZWEPGEIISCGW-HSZRJFAPSA-N 449.599 4.631 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCN2CC)CC1 1539877738 DCBBJGZACUUARA-FQEVSTJZSA-N 444.421 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1539921462 XFIZLGNBZINYLC-UHFFFAOYSA-N 443.661 4.929 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1539931932 SZSLGTQJFCQPPK-CWJKEVGVSA-N 430.637 4.803 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C(=O)OC)C1 1539953812 NHARXMYYMTTZDU-GOSISDBHSA-N 428.602 4.631 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539955133 QDGKEKCSUXEXCH-KRWDZBQOSA-N 447.986 4.837 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(F)cc1Cl)C1CC1 1540094053 BNVYFSJPTDWFKV-HSZRJFAPSA-N 448.970 4.509 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1540914681 BMYNXXHWLFVEBW-GOSISDBHSA-N 449.665 4.596 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H](c1ccccc1)c1ncc[nH]1 1557127976 BWRAURQQDFEWTE-OXQOHEQNSA-N 426.442 4.891 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 1557705832 KYVMESQJTSGCQS-FQEVSTJZSA-N 437.536 4.665 30 10 IJEE Cc1ccc([C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)c2ccccn2)cc1 1559807495 FVEMZUZVCJYOCB-HHHXNRCGSA-N 449.558 4.987 30 10 IJEE N#CCc1ccccc1S(=O)(=O)N(Cc1ccccc1Br)C1CCCC1 1561370262 HLWDFBCBBBPSGW-UHFFFAOYSA-N 433.371 4.649 30 10 IJEE Cc1c(Br)cccc1CCNC(=O)Nc1ccc(C#N)c(Br)c1 1562779031 GNJYPFKMKBEFAW-UHFFFAOYSA-N 437.135 4.756 30 10 IJEE COc1cc(NC(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)c(F)cc1C#N 1563098909 GQBAZSUWMNADLS-CQSZACIVSA-N 431.895 4.855 30 10 IJEE C#CCN(C(=O)NCCCCCc1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1564606071 CGMTWICZMDVCIH-UHFFFAOYSA-N 445.579 4.583 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2ccc(CC(C)C)cc2)nc1C 1565625036 XSJKHMKNYVTXKW-UHFFFAOYSA-N 427.599 4.564 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)cc1 1565791558 GAJXRNCXULOUTG-JOCHJYFZSA-N 435.474 4.970 30 10 IJEE Cc1cc(C(=O)NCc2ccccc2CN(C)C2CCCCC2)nn1-c1cccc(C#N)c1 1583071216 GDLWCFBAZOUDTC-UHFFFAOYSA-N 441.579 4.747 30 10 IJEE C=CCCC[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1ccccc1 1583543395 LBZJHWARIXBFMK-INIZCTEOSA-N 435.387 4.796 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1583744220 DDTXIJBOKFKNKD-SEJPIABJSA-N 438.369 4.636 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCOc1ccc(Cl)cc1Cl 1583856485 FMFCWGCKEHIETQ-UHFFFAOYSA-N 446.334 4.943 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 1584555732 MLOSWDVDDILHTE-RRPNLBNLSA-N 444.550 4.717 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(Cl)cc3-n3cccc3)ccc2c1=O 1585198191 XRMOPBWTVLASJE-UHFFFAOYSA-N 436.924 4.568 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(OC)c2C)nnc1-c1ccc(Cl)cc1 1587382478 JZDBUOJOPBOPOJ-UHFFFAOYSA-N 428.945 4.832 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1cccs1 1589504799 JHPQXAAUROOGLE-IFMALSPDSA-N 433.581 4.886 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(COC)CC1 1594456123 YOUXFSFBHVBBEV-SFHVURJKSA-N 428.552 4.942 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1594608589 QDRVUSRTWMKFAE-OALUTQOASA-N 434.588 4.514 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1595065055 HVCRUKNBIBOYSG-AREMUKBSSA-N 438.616 4.960 30 10 IJEE C=C1CCC(CNC(=O)c2nnn(Cc3cccc(Br)c3)c2CCC)CC1 1611415738 JOTSPQBCXNRSLB-UHFFFAOYSA-N 431.378 4.518 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC#N)c1ccsc1 1615369730 AFASOTWWSOWOCA-GHTZIAJQSA-N 437.617 4.532 30 10 IJEE C#CCCCCC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 1623620629 LMRAXLVDIASUKZ-NRFANRHFSA-N 428.532 4.971 30 10 IJEE C=CC1(CC(=O)N(Cc2cccc(C)c2)Cc2ccccn2)CN(C(=O)OC(C)(C)C)C1 1626909013 CLZKWEJQXRPMPT-UHFFFAOYSA-N 435.568 4.732 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Oc2cccc(C)c2)c1 1628604875 JKDDDMUMXKOQEX-UHFFFAOYSA-N 433.529 4.514 30 10 IJEE C=CC1(CC(=O)N2CC[C@H]2c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1630162041 VUSDKJNVJORQCK-KRWDZBQOSA-N 435.362 4.536 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1631299090 ZELPFXAVRICMQX-IBVKSMDESA-N 444.575 4.812 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1)c1ccc(Cl)cc1 1633645184 KCNTXNDSZYEVDN-VMDGZTHMSA-N 435.749 4.852 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1636098355 GQBRYRUCAKIOAV-SQJMNOBHSA-N 427.589 4.606 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1Cn1c(C)nc2ccccc21 1637924963 IMXJIGIOWUVKKM-CTNGQTDRSA-N 440.588 4.585 30 10 IJEE CC(C)c1ccc(C2(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCCC2)cc1 1638202804 FGACUPQJBBMOCV-UNMCSNQZSA-N 439.600 4.887 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F 1638986749 IVJPSLJNILUPLD-NQIIRXRSSA-N 430.495 4.834 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 1641387092 JODOSCFGESNICZ-UQBPGWFLSA-N 446.588 4.609 30 10 IJEE Cc1ccc(C)c(-c2cc(NC(=O)CN3CCC[C@@](C)(C#N)C3)n(-c3ccccc3)n2)c1 1642374315 ICGKGSOCCJPXPS-SANMLTNESA-N 427.552 4.720 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COc1cc(Br)ccc1C#N 1643982185 AUVCOXAKBXGXMU-CYBMUJFWSA-N 430.327 4.590 30 10 IJEE Cc1ccc(CN(CCC(=O)N(C)CCC#N)Cc2cccs2)c(Br)c1 1645400336 IDKMUTDRDKDHCR-UHFFFAOYSA-N 434.403 4.583 30 10 IJEE C=C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(OCC)cc1)C(=O)OC 1651656699 DGFPDGBZUQXYID-GOSISDBHSA-N 429.929 4.806 30 10 IJEE C=C(CSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1C)C(=O)OCC 1652467614 XFDVTZFQRKJOHX-UHFFFAOYSA-N 428.579 4.892 30 10 IJEE C=CCN(C)CC(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC 1653354153 OKXMILCJPMIVNH-UHFFFAOYSA-N 427.353 4.955 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1CCC(c2ccc(C#N)cc2)CC1 1656288786 HFFWZFQFICYLNA-FQEVSTJZSA-N 437.543 4.996 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)cc1 1658516406 MCXGJVLFWAZJPC-UHFFFAOYSA-N 449.551 4.944 30 10 IJEE Cc1c(S(=O)(=O)NCCc2ccc(OCC(C)C)cc2)sc2ccc(C#N)cc12 1662029445 FVGVIFWUKMUDQG-UHFFFAOYSA-N 428.579 4.637 30 10 IJEE Cc1nc(-c2cc(NC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cc(C(F)(F)F)c2)n[nH]1 1662905922 ABYVKLBIYCVINH-LBPRGKRZSA-N 428.418 4.896 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1scc(Br)c1Br 1663084956 RXPMHOITNMZCFG-ONGXEEELSA-N 443.226 4.686 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N 1663277208 ADMYDWFDRRYLOP-QRWLVFNGSA-N 433.371 4.559 30 10 IJEE C#CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1)[C@H]1CCCc2ccccc21 1666028650 HOUJTZPQYRTLPT-UZINWLIJSA-N 431.580 4.841 30 10 IJEE Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1666473465 HFMHASNRFKMJHQ-NRFANRHFSA-N 445.498 4.984 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 1669044462 JKOGGCLPDBLWNP-CQSZACIVSA-N 425.382 4.582 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC 1673751723 QJEHVUSTIYTQEJ-UHFFFAOYSA-N 442.487 4.744 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)C1 1673875568 CPUHQWPAYPEEOD-WMZHIEFXSA-N 445.563 4.762 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(Cl)cc1F 1674036702 SYNKNHMYPFEEGE-AUSIDOKSSA-N 439.962 4.755 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)cc2n1 1675017997 QDBFFAOBEVWXRW-UHFFFAOYSA-N 429.565 4.771 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)c1ccccc1 1675604305 VEPFDCMOUHDZLI-HSZRJFAPSA-N 439.987 4.834 30 10 IJEE Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)cs1 1677176987 AONKTEKGZAJSQM-QGZVFWFLSA-N 431.565 4.583 30 10 IJEE C=CC[C@H](NC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccncc1 1679333350 FNVYOOVEUBCACZ-UPJWGTAASA-N 443.338 4.511 30 10 IJEE C=CCSCCNC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1681509893 DBRPGTQCKWMOSZ-OAHLLOKOSA-N 442.425 4.726 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C)c1ccc(Cl)cc1F 1682366774 ILIJOEUSONKLBQ-DHIUTWEWSA-N 427.951 4.705 30 10 IJEE C#CCN(C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1684429047 UFFPEVXUVNKVMJ-RRPUWOKSSA-N 439.600 4.792 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1685053060 PROVRWRXNTUOPO-PXDATVDWSA-N 443.588 4.573 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1)c1ccc(F)c(F)c1 1686173980 TYLHABUMONHIHV-ZVGUJKQYSA-N 430.499 4.753 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](OC)[C@H](C)CC 1689831581 NGBOQTMJEPIZJE-IMWIBFENSA-N 433.600 4.872 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC(OCC2CC2)CC1 1689922758 YZPDFUKDRJRTLU-UHFFFAOYSA-N 443.389 4.516 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC[C@H]1C 1690003361 LFYUWJTXVNJUSU-WIYYLYMNSA-N 429.593 4.886 30 10 IJEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690025089 DQKUNRMNIAKXRG-UXHICEINSA-N 439.485 4.648 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1CCCC1 1690095137 FYPCFPNBUZBGHU-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CC1(OC)CCC(C)CC1 1690214321 FNQUXBGHRRHNST-ISISGCMPSA-N 440.563 4.584 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCCCC2)CC1 1690277359 QEDIIOGVKQPAGE-UHFFFAOYSA-N 431.531 4.577 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2CCC[C@H]21 1690304980 UAVUGEHDNWHDMZ-LSDHHAIUSA-N 437.407 4.741 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1690377826 RXOTZAOKGYOKAE-UHFFFAOYSA-N 445.901 4.723 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCCN2CCC)CC1 1690415445 LYAGEZINXGKCQC-QHCPKHFHSA-N 437.632 4.832 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1690470929 PIBGIJPBYLFVPG-KRWDZBQOSA-N 435.494 4.892 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690477870 JQMHUENHJWLCES-LJQANCHMSA-N 441.377 4.749 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CCc1sc(C)nc1C 1690555787 DDCMLSKSTSGCFD-UHFFFAOYSA-N 448.596 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1690574359 XSGCOMYAIZHBCA-HSZRJFAPSA-N 428.602 4.947 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCS1 1690619784 CYMNGHJWRMQONE-LJQANCHMSA-N 439.585 4.525 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1690697269 RSLRDLWNAQXVCY-RBUKOAKNSA-N 438.469 4.948 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690735935 NCJFIPUQHUBQFQ-YADHBBJMSA-N 440.657 4.871 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCOCC1 1705476729 DNHKUVIEHYDPNZ-MSOLQXFVSA-N 430.980 4.573 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705515785 MJYHZZDZZIZQBL-VWNXMTODSA-N 441.664 4.804 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@@H]1C 1705607747 PHDBDVKZJVUFAN-SFHVURJKSA-N 437.588 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1705609670 MFXOOXOMSTWLQU-UHFFFAOYSA-N 445.567 4.568 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCN1CCCC[C@@H]1C 1705619892 FQZHEBPPVAUWRU-NRFANRHFSA-N 439.623 4.910 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1[C@@H]1C[C@H]1CF 1705676674 KLEXKAYTGSTMNW-GEQKSPFYSA-N 430.955 4.774 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCCCC1 1705706867 ADOZFAAOBZQGTI-PSWRPDDJSA-N 430.637 4.947 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Br)s1 1705723600 FLCMFACPEDRPKK-UHFFFAOYSA-N 428.359 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@@H](C)C1CCC1 1705789238 DARFDWOGGDAXMA-SFHVURJKSA-N 448.615 4.809 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1C(C)(C)C)c1ccccc1 1705798395 RBWYIKWUWPNOCU-HXAGEGRHSA-N 438.616 4.710 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1Cc1nc(C(C)(C)C)cs1 1705885314 NXDHEARAFCEQET-UHFFFAOYSA-N 439.629 4.618 30 10 IJEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccsc2)s1 1708957335 DRXBXAFSVRPARG-UHFFFAOYSA-N 434.594 4.776 30 10 IJEE COc1cccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)CC#N)c1 1711928362 DJWTTZRDUOBHPQ-ZDUSSCGKSA-N 446.374 4.564 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC2(CCCCC2)O1 1722283607 SXWSRODOZNXCJZ-MJGOQNOKSA-N 442.991 4.947 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1722312724 KNWWDZVOFZEYPA-XMSQKQJNSA-N 436.581 4.785 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCN1CCC[C@H](C)C1 1722347816 MNDJUNCKKHAYJL-KRWDZBQOSA-N 434.415 4.833 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@H](OCC)C(C)C 1722379426 HYWOBJMEAJHERE-TZIWHRDSSA-N 438.641 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCCC1 1722475461 REEIRJHWCACBNW-OAQYLSRUSA-N 431.005 4.521 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722547724 RWTNRIDKOYSMMI-CYBMUJFWSA-N 437.762 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1722584702 IGBBIKIHDWJNAE-IBGZPJMESA-N 448.596 4.708 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@@](C)(CC)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1722598154 ZZGGSKUGYNQSJR-DNRSQYFGSA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722599592 HAZYIJMCRKWGJY-UHFFFAOYSA-N 427.568 4.766 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1Cc1nc(C)c(C)s1 1722653019 SJHABJBVJRPKDT-UHFFFAOYSA-N 434.569 4.596 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1c(C)noc1C)C1CC1 1722653739 KSCNFOLHJUTODX-UHFFFAOYSA-N 448.354 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Cc1cccs1 1722661989 BAMGSVBFHROJGV-KRWDZBQOSA-N 438.626 4.873 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722743232 VGTSQMLCZZZWJR-OALUTQOASA-N 432.659 4.723 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCCCCC1 1723768239 AFGPXBWMAUTLKH-MRXNPFEDSA-N 446.393 4.531 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1727699838 DLXOIRLWUJOXSK-DXBBTUNJSA-N 437.588 4.590 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1CCC(F)(F)CC1 1729409154 BRBPZIAUOCUQSC-UHFFFAOYSA-N 436.510 4.597 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2CC2)CC1 1731189203 DYYIKCMDXSWZGM-UHFFFAOYSA-N 434.769 4.901 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1740544150 DHBGHTUWPBKEBZ-INIZCTEOSA-N 432.597 4.697 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC(F)(F)F 1740721514 LLYAHAPVEKFSTN-UHFFFAOYSA-N 440.535 4.520 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(C)C)C1 1740745871 IRSKKGQSGVWWEX-HNNXBMFYSA-N 439.348 4.928 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 1740803322 WQSRQQVEPXEZIT-UHFFFAOYSA-N 449.624 4.527 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1740840929 NRHJVUFYQJVWLI-UHFFFAOYSA-N 439.532 4.856 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C[C@@H](c2cccs2)N2CCOCC2)nnc1C(C)(C)C 1740852617 QLQCXKCRIBOROW-IBGZPJMESA-N 445.677 4.749 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(Cn2cccn2)CC1 1740870939 YPQZAZLMSOXSQA-UHFFFAOYSA-N 442.514 4.626 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CC1CCOCC1 1740923847 XETMSPMHIRMTSP-UHFFFAOYSA-N 444.551 4.828 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C)C1)C(C)C 1740926111 FZENLYQHUZZCLX-XUZZJYLKSA-N 432.616 4.752 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CC(F)(F)c1ccccc1 1740936286 OESFGVIXYSJDGR-UHFFFAOYSA-N 435.478 4.960 30 10 IJEE C=CCn1c(N2CC[C@H](c3ccccc3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949962 AVECVMDQAIYABB-SLFFLAALSA-N 437.588 4.537 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740970886 DTLJNZOWFLOAKC-OAQYLSRUSA-N 426.605 4.731 30 10 IJEE CC(C)(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(C)(C)C1CC1 1741195700 APYHAGSRHORCRN-UHFFFAOYSA-N 434.632 4.891 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1CCCN(C)C(=O)OC(C)(C)C 1741516440 BCURZORMDXIDAH-UHFFFAOYSA-N 434.629 4.599 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(C)OCCc2sccc21 1748643378 VHIXDWCUGYIBRE-JVFUWBCBSA-N 434.609 4.828 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1748718011 BZPYMNPFEWTAGB-OAQYLSRUSA-N 441.000 4.965 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](SC)C(C)(C)C 1748868453 XJYUJXJLMCLDTK-GHTZIAJQSA-N 442.604 4.798 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1CC 1749046946 LFUZXSHCLMCTGT-FQEVSTJZSA-N 426.630 4.900 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H]1CCO[C@H](C)C1 1749149276 YKCZAYFEJNHYRR-MOPGFXCFSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2OCCC2(C)C)CC1 1749296107 IICBGNQXKLHCJH-GOSISDBHSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 1749352904 ZQKBFIPGLHBMGN-UHFFFAOYSA-N 448.615 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](CN2CCCCC2)C1 1749358927 DSVOTAJDIFODDL-HXUWFJFHSA-N 425.596 4.999 30 10 IJEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CC1 1749381009 BEJWHPZEHDKOMH-HXUWFJFHSA-N 443.542 4.895 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749419584 LELQZKXFCKGTAW-VQIMIIECSA-N 431.378 4.679 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CCc1scnc1C 1749584827 RYYBLWGAOIBNGA-UHFFFAOYSA-N 430.581 4.583 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)C1CC1 1749587086 HJKLPIKDBPAJGY-QHCPKHFHSA-N 426.948 4.588 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](CCC)OC)C1 1749696906 YGHDTPKCVBZJKR-UXHICEINSA-N 444.645 4.872 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@](F)(C#N)C2)s1 1751730144 IBYGSYUVICXPSO-ZUOKHONESA-N 430.940 4.609 30 10 IJEE C[C@H]1CC(Cn2c(Cc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)C[C@H](C)O1 1752025178 AKDLSFWNDBTXCQ-ROUUACIJSA-N 442.007 4.856 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(CC)CCCC2)c1 1760128578 MKNVLEFGUGFPEB-QFIPXVFZSA-N 449.599 4.546 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC(C)(C)N1CCCCC1 1760241678 GWJUPFOQXZOAFA-UHFFFAOYSA-N 425.596 4.520 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC)(CC)C1 1760281152 ZFROERIZYFHRTA-UHFFFAOYSA-N 435.597 4.983 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCSC1(C)C 1760295908 LOMUEIQNQUHWAR-QMHKHESXSA-N 430.568 4.671 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1C[C@H](F)C1 1760340241 PZKFTJGXKUBWHP-FHWLQOOXSA-N 435.588 4.891 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(OC)C1 1760351723 KRDUACCEEOAAIK-OFVILXPXSA-N 442.604 4.633 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC(F)(F)F)CC1 1760383941 FAQWAMMNBYMAQN-UHFFFAOYSA-N 432.393 4.629 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1760414974 KGZNACAHOFUJJM-UHFFFAOYSA-N 439.579 4.605 30 10 IJEE CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1766530749 DMIGVSQTLXWONB-SFHVURJKSA-N 440.592 4.554 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cccs1 1766583623 BUKVSOSSBKZLLH-GHTZIAJQSA-N 434.613 4.950 30 10 IJEE COc1ccc2[nH]c(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)cc2c1 1859490174 RVHRXFHCUMIJOZ-UHFFFAOYSA-N 436.475 4.651 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1860727970 PPWQLZDQPIUDBD-KRXBUXKQSA-N 432.167 4.708 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862381293 WOPFGMFHRKUIMG-LJQANCHMSA-N 445.302 4.699 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Cl)c1 1862402686 FEGCYIBWLXRPHY-NRFANRHFSA-N 443.927 4.662 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Cl)c2)cc1C 1862402742 GWTDVAZKAWOJJA-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1862443514 MKLLWRBVQLFLAH-KRWDZBQOSA-N 439.817 4.584 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862483237 XWOFCHNGUNCRLQ-LJQANCHMSA-N 434.319 4.917 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2Cl)c1 1862491351 QUSGSJRCFRLDOX-QFIPXVFZSA-N 449.938 4.822 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(Br)c1 1862539939 CDZKCBCLTGGIMB-LJQANCHMSA-N 426.310 4.776 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862561349 OHIHXDHYLMXFHK-QFIPXVFZSA-N 436.552 4.571 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 1862605680 ZXGLQJSTKMTDRR-ICPLQIHGSA-N 433.504 4.615 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1862676774 QURJHZUYDPKCRO-JOCHJYFZSA-N 446.434 4.555 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1 1862680610 GNRBANHGALCLJD-KPZWWZAWSA-N 432.289 4.965 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CC(C)C)cc1 1862745545 LGJFBMUDPMPXQG-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030653 KBNHEWWLBWWFPC-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c([N+](=O)[O-])c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863391580 QPMYWYWYYTUYML-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(OC)c(OC)c2)C1=O 1863520547 WAHVSPMVKYWTJF-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccco1 1864452507 JUCWEJBYFPXLHI-JOCHJYFZSA-N 448.567 4.945 30 10 IJEE C=CCOc1ccccc1OCC(=O)Oc1cccc2c1C(=O)N(C1CCCCCC1)C2=O 1865796227 RRYIHWQIVALNSF-UHFFFAOYSA-N 449.503 4.555 30 10 IJEE CCC[C@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1ccc(C#N)cc1 1867179210 MPUNMIAISHVQHF-QFIPXVFZSA-N 444.535 4.550 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1 1868949588 PXJTUOYLTHUCRC-HXUWFJFHSA-N 426.507 4.582 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C2=Cc3ccccc3OC2)n(-c2ccc(Cl)cc2)n1 1870002028 ADCDCKPPAMMMDK-UHFFFAOYSA-N 447.926 4.514 30 10 IJEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3-c3cc(Cl)cc(Cl)c3)c(C)c2c1 1870160116 XARZDMLAMMSUKZ-UHFFFAOYSA-N 425.279 4.796 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cccc(N(C)C)c2)cc1=O 1870809363 YVRQBJOCBRHQOF-UHFFFAOYSA-N 442.563 4.815 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1ccccc1C 1871237633 VRFTVQBWJVGJDQ-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871441969 TTYRZFWNPRXOED-CFRMEGHHSA-N 427.456 4.831 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871443062 YCOGLQJDVGMJHT-JAIQZWGSSA-N 445.500 4.577 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)OCCOc4ccccc4)cc(C)c3C2=O)cc1 1871462004 JAXFFTVZXOZLKA-IWIPYMOSSA-N 444.483 4.921 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(CCCC)cc2)[nH]c(N(C)CCO)n1 1871502094 LCILLXGKXSBQDH-UHFFFAOYSA-N 428.625 4.581 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871873811 KANLGMPHTIENPU-VGSWGCGISA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 1871892534 OCWYJTYRKJBMKJ-HSZRJFAPSA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872138586 ZKQXNTSMBQEVPK-DEOSSOPVSA-N 434.561 4.860 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872227651 OTWVIEFSFJUFEH-CQSZACIVSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1872282803 VAIBGUKRLSGDNC-DNVCBOLYSA-N 432.989 4.840 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NC[C@H]3CCCO3)ncnc21 1873612429 QZHCOCANGURLTQ-LJQANCHMSA-N 433.556 4.758 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(N3CCC(C)CC3)ncnc21 1873644224 FKUMFCAAPYWXJH-UHFFFAOYSA-N 446.599 4.952 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1 1874439461 CBRKQFOPONAEES-AFUMVMLFSA-N 440.544 4.967 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2C)cc1 1874442446 BYSHKQAGJURSBP-XAOCGEIJSA-N 449.580 4.613 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2cccc3ccccc23)c(C)c1 1874534020 NOXSYRMMGWLRIN-AFUMVMLFSA-N 429.549 4.970 30 10 IJEE C=CCOc1c(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Br)cc1OC 1874581865 JVWHKIWMCHUUTI-GQCTYLIASA-N 431.282 4.690 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCC(=O)OCC(C)C 1874583033 SRZQYLZTFABCBR-GQCTYLIASA-N 446.883 4.551 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1nccs1 1874595564 RXKYPHOBSJJKCL-FNORWQNLSA-N 428.897 4.719 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)NCc1ccco1 1874616722 OZOKHVHAUYTKEY-JLHYYAGUSA-N 445.515 4.916 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)c(OCCCO)c(OC)c1 1874634703 PQKKZSZMCPAECN-AATRIKPKSA-N 425.308 4.976 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 1875178669 VRSMVYFEGOTOJI-XYOKQWHBSA-N 447.443 4.656 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(C)nc3c(C)cc(C)cc23)c1 1891488261 ROTABPLCZNRGQE-UHFFFAOYSA-N 429.564 4.818 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)ccc21 1891854319 YGHBKVLFDCTVQB-UHFFFAOYSA-N 448.972 4.695 30 10 IJEE O=C(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H](COc2cc(C(F)(F)F)ccn2)C1 1891855271 KHYKKCDJFLMFSS-SNVBAGLBSA-N 436.327 4.588 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C#N)cc1 1892130656 CLDGAYIUYIZYRI-PKTZIBPZSA-N 435.593 4.888 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccc(Cl)c(Br)c3)cc2)OC1(C)C 1912665354 WCDHVQIZBORVLJ-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](O)c1cc(Br)ccc1OCCC 1922051078 FKOSXFKYUFXZIN-VXKWHMMOSA-N 434.374 4.632 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(c3c(Br)cccc3C#N)C2)C1 1965652763 WOVOLLANAQTFFZ-MRXNPFEDSA-N 434.378 4.794 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 2038295948 FFSARNOSYJRGFK-SWWFSWNPSA-N 443.544 4.728 30 10 IJEE Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C 2124520529 WGJJOIMXTYGRBE-IZZQQSIFSA-N 442.365 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCC(OCCCNc2ccc(C#N)c(Br)c2)CC1 2162424026 WLMNPSUSEHXQDN-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CCN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2174809662 CIGBDIUOMKPUDW-SUMWQHHRSA-N 440.357 4.980 30 10 IJEE Brc1sc(C#CCC2CCNCC2)c(Br)c1Br 2216394169 NIVVGZCSSFCJRG-UHFFFAOYSA-N 442.014 4.777 30 10 IJEE C=C([C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221680934 JDYNVDDRJVYRDI-DLBZAZTESA-N 427.459 4.646 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](N)C#Cc1ccccc1Br 2235726115 JRPDBPRVOLJIFA-UXHICEINSA-N 435.406 4.992 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2235731452 QLXJUXOFRHKPOD-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CN[C@H](CC#CC(C)(C)C)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237418262 JAUJTTMGBSZQMY-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1c(F)ccc(Br)c1F 2239748599 CWOKLPBVAZYLTK-LEWJYISDSA-N 440.328 4.902 30 10 IJEE CC1(C)OB(c2cnc(NC(=O)OCC3c4ccccc4-c4ccccc43)s2)OC1(C)C 2241559160 LEGVPZSQHSJJTB-UHFFFAOYSA-N 448.353 4.803 30 10 IJEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1cccs1 2255536714 MFHPPISKYJVHOU-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1 2255653570 KSOBFAOTTNUHKJ-UHFFFAOYSA-N 432.326 4.607 30 10 IJEE CN(Cc1cccc(I)c1)c1ccc(Br)cc1C#N 2265531445 XYSRYXYMUMVTNB-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CN(Cc1cccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1)C(=O)OC(C)(C)C 2265860634 RVUYHRLJHJEOMY-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@H](C#N)CC23CC3)ccc1Br 2288841393 CPFWIVGKYSITJC-ZDUSSCGKSA-N 434.334 4.704 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296279579 QLJOOHHZYGCDOA-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C 2296301720 YFYHQAIGLAJNRE-LNKGRISISA-N 435.406 4.670 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F 2296305998 ATVQUWVYAIDMPC-OXQOHEQNSA-N 445.348 4.575 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 2297459513 QSGAXGVGIZOIFV-RUZDIDTESA-N 441.483 4.886 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)CS2 2301642066 PZMFVFXYTQDVMO-QFIPXVFZSA-N 445.585 4.817 30 10 IJEE Cc1cc(CSCCCN(C)C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2303725458 GJLUAEQVTHBPSZ-UHFFFAOYSA-N 435.439 4.784 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)C=Cc4ccccc4)sc3C)cc21 2320593619 WOKIMCDWQKVYOF-UHFFFAOYSA-N 431.517 4.682 30 10 IJEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(OC)c(C)c3)cccc2OC)o1 2322416374 ZLUJQHJDCQYLIE-UHFFFAOYSA-N 436.460 4.867 30 10 IJEE COc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1cccc(Cl)c1 2323536575 MMNNEOXPCOEIBL-SFHVURJKSA-N 444.944 4.542 30 10 IJEE COc1ccc(C=C2Oc3cc(OCc4ccc(C#N)cc4)ccc3C2=O)c(OC)c1OC 2324756690 HOSPYTOVJDBFTJ-UHFFFAOYSA-N 443.455 4.779 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)c1 2324807499 SEFPMQFGSMZUQS-OAHLLOKOSA-N 449.459 4.627 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1 2325383010 CIZHBNLFFITWPO-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(O)cc4)c3C)C2=O)cc1 2325549845 VGBNGAJVZNKLRV-UHFFFAOYSA-N 445.471 4.733 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2325730949 XDUKTLHLEAKCCE-UHFFFAOYSA-N 449.459 4.547 30 10 IJEE Cc1ccccc1C=Nn1c(COc2cc(C)c(Cl)c(C)c2)nnc1SCCCO 2326148851 IKZVTQMIJAZWFI-UHFFFAOYSA-N 444.988 4.792 30 10 IJEE COC(=O)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1sccc1C 2326924130 BNLWZRIVLZFSGJ-UHFFFAOYSA-N 444.626 4.554 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@H](CC(=O)NC2CCNCC2)n2ccc3ccccc32)cc1 2328380827 HRGXIVMUNCWPHJ-SANMLTNESA-N 443.591 4.847 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2N=Cc2cccc(Br)c2)cc1 2328562291 ZADKZYHVFKIGSS-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)c1 2328641122 FMULESMKBQAJRF-UHFFFAOYSA-N 435.528 4.714 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cc(OC)ccc1OC 2328858240 UFKMSKVWSDOJRN-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1 2331106290 VPBSYPXFJSYERK-UHFFFAOYSA-N 434.443 4.566 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccccc2F)cc1 2331282157 JXFKFWLGDZUWPD-UHFFFAOYSA-N 442.560 4.960 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 2331400622 CKMDEHAFFIHIKJ-UHFFFAOYSA-N 449.390 4.620 30 10 IJEE COCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(Br)c1 2331562552 QFRBEMVRKIBVHU-UHFFFAOYSA-N 431.359 4.670 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccc(F)c2)n(-c2ccccc2Cl)n1 2331685190 SHJIMJLFZBBTDT-UHFFFAOYSA-N 437.906 4.890 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CC1 2331734478 NYNJGRORGOJFAN-UHFFFAOYSA-N 435.509 4.803 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)cc2)c(OC)c1OC 2331885319 GNRNFRCWGDQESK-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CC#CCN(C[C@H](NCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 2337919639 UJWAGJUMQISCFM-KRWDZBQOSA-N 431.321 4.638 30 10 IJEE CC[C@@H](NCCC[C@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511099 CRZLXFLHWIFZKX-GHTZIAJQSA-N 446.441 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@H](N)C#Cc3ccccc3Br)C[C@@H]21 2359587625 WGMSOBZYPMJUDM-CUDHKJQZSA-N 433.390 4.554 30 10 IJEE CCCN[C@@H](C#CC1CC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362736312 HYLUBBYELZSDJD-PMACEKPBSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@H](N)C#Cc2ccccc2Br)C1(C)C 2370147309 QLCDZQWOLFPMEX-YQVWRLOYSA-N 435.406 4.848 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2ncc(C#N)cc2[N+](=O)[O-])c1 2370342268 STNXATMIAPLIPP-UHFFFAOYSA-N 435.234 4.763 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 14040085 WUVMZYBASHKCFX-IBGZPJMESA-N 442.581 4.579 30 10 IJEE Nn1c(N/N=C/c2ccc(Cl)cc2Cl)nnc1SCc1ccccc1Cl 20527901 MPCOEFUAQUROEF-ODCIPOBUSA-N 427.748 4.690 30 10 IJEE Cc1ccccc1NC(=O)CCSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1 21078479 DVCGQNKXDTYATC-SSDVNMTOSA-N 449.367 4.987 30 10 IJEE C[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1nnc(-c2ccccc2)o1 26205324 WQRCFNVEGRQXBW-AWEZNQCLSA-N 442.504 4.691 30 10 IJEE COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c(OC)c1 33321207 GWHHDIOBXROPDD-LFVRLGFBSA-N 432.476 4.664 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3)C4=O)C2)cc1OC 41587543 JLEVWVNZWMFKGO-MYKKPKGFSA-N 443.499 4.981 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1cccc2ccccc12 59016200 SEKAAFODXXPCHV-XPIRNMDISA-N 428.521 4.800 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1nc2ccccc2s1 100150623 YQTPWVALQMCZDG-HKOYGPOVSA-N 432.534 4.919 30 10 IJEE O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cc(Cl)ccc3Cl)o1)[C@@H]1C=C[C@@H]2C12CC2 100562148 XSVHTARFIJBVCC-RINDBTDNSA-N 427.287 4.785 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc3ccccc3c2O)cc1Cn1cc([N+](=O)[O-])cn1 102385570 BLGDIMAHJZCUQW-POHAHGRESA-N 429.432 4.603 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccc(C)c2)c1 169966894 XFDKULCUJUIWOY-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccs1 169982595 MCRTUDQSFCIFBQ-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccs2)cc1 169982652 IBPIDADODGIUMZ-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 170064934 PWFDNKLMAUTRMR-QFIPXVFZSA-N 437.467 4.965 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1cccc(C)c1 170142509 IAZLZAASHWJFTO-XMMPIXPASA-N 438.483 4.967 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1cccc2ccccc12 170221179 QLLKGIFBQUIMAM-QHCPKHFHSA-N 431.488 4.845 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2)cc1C(C)C 170222362 ZWPOSPDSDRYTBL-HSZRJFAPSA-N 437.536 4.822 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2)ccc1OC(C)C 170222498 SKHHRSYZJURAJK-QHCPKHFHSA-N 437.536 4.786 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265771 MCXYJVRWEVHNMA-REWPJTCUSA-N 449.547 4.632 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1O 170271941 SZYGDYXZVZRCAJ-UPCLLVRISA-N 441.483 4.807 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1c(C)[nH]c2ccccc12 170311847 CNPFWGGBUSSQIK-HSZRJFAPSA-N 448.519 4.872 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cc(C)ccc2C)ccc1O 170465976 YJOPUQXNWYDIJP-HSZRJFAPSA-N 447.487 4.779 30 10 IJEE COc1ccc([C@@]23SC[C@@H](S2)[C@H](c2ccccc2)C(C#N)(C#N)C3(C#N)C#N)cc1 248182753 FRJYTKCVAKBTEG-ZRCGQRJVSA-N 428.542 4.561 30 10 IJEE CN1C(=O)/C(=C\c2cccn2-c2ccccc2)SC1=Nc1ccc(N2CCOCC2)cc1 254734643 KCSSYSHFGDUCOO-MFIIUBNGSA-N 444.560 4.548 30 10 IJEE COc1cc(OC)c(C=Nn2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)c(OC)c1 254791182 QXXOUOWOMGGIBJ-UHFFFAOYSA-N 426.542 4.813 30 10 IJEE CN(CC(F)(F)F)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 409488134 UVQXVGFWZWYWSC-LBPRGKRZSA-N 438.290 4.712 30 10 IJEE C=CCn1c(SCC(=O)N(CC)c2ncccc2C)nnc1-c1ccc(Cl)cc1 466520492 TUBIZPMKPWSUBN-UHFFFAOYSA-N 427.961 4.633 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 482169667 NLCHYNUNDIVWRC-HUUCEWRRSA-N 429.590 4.737 30 10 IJEE N#Cc1cccc(OCCCCC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 505264650 MJEFNDAIPNYGKE-UHFFFAOYSA-N 428.414 4.951 30 10 IJEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1 508713984 LUTARUGTCKDVRX-UHFFFAOYSA-N 444.505 4.729 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](c2cccs2)C1 508919916 HXBOYRSEIPEDST-NRFANRHFSA-N 448.548 4.943 30 10 IJEE C=CCn1c(SCc2nc(-c3cccc(C)c3)no2)nc2sc3c(c2c1=O)CCC3 510251798 ZWHAGHDBRDUPPZ-UHFFFAOYSA-N 436.562 4.783 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 549261640 CQFBKWLNUYTYLK-UHFFFAOYSA-N 442.535 4.884 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCCO2)cc1 579500326 DKVRRDATXDDWQY-UGKGYDQZSA-N 425.577 4.535 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(Cl)c2)cc1OC 586232162 RRAYJSVUPUJUIH-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(OC)cc2OC)cc1 586242588 YNACYBPZOUVNDJ-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4ccccn4)nc3O)cc2F)c1 609110919 ZHYJEFIQKIDGLK-UHFFFAOYSA-N 440.434 4.691 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@H](CN)c1ccc(Br)c(Br)c1 698307593 KEDYMCTVCVGWMS-CQSZACIVSA-N 434.172 4.635 30 10 IJEE C=CCC1([C@@H](Cc2cc(F)ccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 722906395 POJCCYBHZSHYEP-QGZVFWFLSA-N 427.358 4.532 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 730489008 HAFNZKJLQZOOSB-UCNVEGJOSA-N 441.531 4.648 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nnc(Cc2cccc3ccccc23)n1N 735231904 DDBRQZBBGQODFB-UHFFFAOYSA-N 435.940 4.584 30 10 IJEE CCCOc1ccccc1Oc1ncccc1CNC(=O)NCc1ccc(OC)c(C#N)c1 746771651 FOARHAUWPWDWIS-UHFFFAOYSA-N 446.507 4.542 30 10 IJEE C#CC[C@@H](NC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)c1ccccc1 801797991 PMGROPCQDBCUNG-LJQANCHMSA-N 427.430 4.540 30 10 IJEE C=C(C)CNC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811724017 WLQIYYLRBDKTCL-UHFFFAOYSA-O 428.537 4.595 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](C(C)C)CC1 812184155 LKBILLOVHJJNDP-OAQYLSRUSA-N 425.577 4.543 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(F)cc1 813036511 IDXSJGCBYSDYTG-MZNJEOGPSA-N 447.485 4.881 30 10 IJEE CCOC(=O)CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084338754 BLFZAPHXTGOFGF-UHFFFAOYSA-N 429.505 4.803 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)cc1 1125466479 LSMVSSNUHFOCBF-UHFFFAOYSA-N 431.458 4.838 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1c(Cl)cccc1Br 1125554145 WJXDFMJGMLSMDO-UHFFFAOYSA-N 428.717 4.780 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2cc(I)c(Cl)cc2Cl)c1 1125843448 YVUMBWHWFMTSIN-UHFFFAOYSA-N 430.072 4.856 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(F)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1128113057 ZSCSQYMUQJHLAH-IBGZPJMESA-N 448.332 4.699 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(Cl)c(F)c2F)nnc1-c1ccco1 1129836612 BZVZUWRZJVVZDO-UHFFFAOYSA-N 425.844 4.744 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)cc21 1134572345 BIZXWTPVUOAYRZ-QFIPXVFZSA-N 429.442 4.829 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)C1 1146475241 MNCMEDGVKGRMAX-INIZCTEOSA-N 448.972 4.578 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C)c(OCCCCCO)c2)CCCN1C(=O)OC(C)(C)C 1152794263 RHDXOGUHGGLIKZ-RUZDIDTESA-N 446.588 4.821 30 10 IJEE C#C[C@H](NC(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1)c1ccc(Br)cc1 1159634499 LZBQCTDXLAGWKZ-SFHVURJKSA-N 447.373 4.562 30 10 IJEE CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1167495357 DVNSSYFPYMOHTF-FPOVZHCZSA-N 440.613 4.519 30 10 IJEE C=CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1169292926 OVWWHNOKMDBSOF-FQEVSTJZSA-N 436.430 4.776 30 10 IJEE C=CCN(Cc1nc2ccc(Br)cc2o1)[C@@H](Cc1ccccc1)C(=O)OCC 1169293370 UMCUAFPCPSVMHW-IBGZPJMESA-N 443.341 4.753 30 10 IJEE N#Cc1ccc(NC(=O)CCN2CCN(c3cc(Cl)ccc3Cl)CC2)cc1Cl 1195796360 DZCFWAHGZWTTEG-UHFFFAOYSA-N 437.758 4.669 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCCNC(=O)c1cccc(Br)c1 1204045286 ORAOMXKAIQBQII-UHFFFAOYSA-N 430.346 4.509 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1Cc1ccccc1Br)C(C)C 1211222726 NFIAZRNEJZAFRU-IRLDBZIGSA-N 448.449 4.864 30 10 IJEE C#CCN(C(=O)NCc1cc(C)cc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1233524290 ISLBBXOXFAVTJF-HXUWFJFHSA-N 427.342 4.735 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccc(Cl)cc1 1252449750 UTPXGIHLLSQYMT-DVECYGJZSA-N 448.007 4.987 30 10 IJEE C#C[C@H](NC(=O)N(C[C@@H](O)c1ccc(OC)cc1)[C@@H](C)Cc1ccccc1)c1ccccc1 1252458222 IZKGPRIZJDEOLO-NJTBCWBZSA-N 442.559 4.746 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@]12CCCC[C@@H]1C2)[C@H]1CCOc2ccc(Br)cc21 1254154066 IQCYTOPBMBJXDS-JWKLYUKHSA-N 431.374 4.886 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCSC1 1286439294 UFDXCIYNPSWEBI-MRXNPFEDSA-N 433.419 4.619 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCC1CC(OC(C)(C)C)C1 1286450524 UJSPZAVRIWQNLT-UHFFFAOYSA-N 433.600 4.724 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC2(CCCCC2)O1 1286453787 WURMBCGGOJEKQJ-VQTJNVASSA-N 440.563 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1OC)N1CCCC1 1286571030 HIRRCIGKBBDWBB-JOCHJYFZSA-N 434.588 4.521 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC1CCN(Cc2cccs2)CC1 1286581134 GKZFACQYNHKCAL-NRFANRHFSA-N 443.661 4.548 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1286586174 XLZRDCDEXHCACL-FDDCHVKYSA-N 428.602 4.726 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1286610920 DJCLLDXPTYJNDO-XMMPIXPASA-N 443.680 4.696 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCOc2ccc(F)cc2)CC1 1286662529 OLLYJPHJNNAJEJ-UHFFFAOYSA-N 426.561 4.941 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286690011 BDRCPZPTAJVTJR-UHFFFAOYSA-N 445.633 4.780 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)[C@@H](C)CC)C1CC1 1286738782 CZWATQDFYJQXIM-IHPCNDPISA-N 447.624 4.566 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@H]1N(C)CCCC1(C)C 1286763399 IGBKZRMUKZYXGN-QHCPKHFHSA-N 433.600 4.894 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286772253 WTVJLEFADZOVAM-PXNSSMCTSA-N 439.604 4.778 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)Cc1ncc(CC)s1 1286795357 ITYSLSJSPUBQIM-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC 1287601604 OLVTVVWCTHZZFP-UHFFFAOYSA-N 434.536 4.604 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1csc(Br)n1 1292744563 ACHSNFPUKRSGPH-UHFFFAOYSA-N 428.311 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1 1300886018 UXUWTKHJUUXWRT-XXBNENTESA-N 444.595 4.892 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)oc2ccccc12 1300921795 XDEPKYRAYLNNAI-UHFFFAOYSA-N 449.580 4.775 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(NC(C)C)CC1 1301016930 DBFIOFXVWOZERP-GOSISDBHSA-N 448.011 4.536 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1301075196 XAJHCBJKVJXCAW-UHFFFAOYSA-N 433.522 4.684 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)c1nccs1 1301141879 RRHKARKKYUIZRW-MRXNPFEDSA-N 439.585 4.973 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301189630 YSBSMFWGRDEMFO-JOCHJYFZSA-N 428.024 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1ncc(CC)s1 1301371279 AZENFAXDOZJIDS-UHFFFAOYSA-N 444.402 4.953 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC2(COC)CCCCC2)C1 1301556309 HLQOOAPLZSODCC-QHCPKHFHSA-N 438.616 4.556 30 10 IJEE N#CCCN(CC1CC1)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1310990389 GULLVMYWXNCFDX-UHFFFAOYSA-N 439.356 4.726 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c(Cl)c1 1311263285 UYMAXCDSUFEPAJ-CYBMUJFWSA-N 443.256 4.789 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(C)C 1311387616 CEXVTIJKBJOQML-JPYJTQIMSA-N 429.008 4.676 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@@H]2CC)cc1OC 1314163558 CCGUOQIBPOEHFC-HBFSDRIKSA-N 425.577 4.917 30 10 IJEE C#CCN(C(=O)c1cnc(CC(C)C)s1)[C@H]1CCOc2ccc(Br)cc21 1353634474 LKKARSXGCZZZFB-INIZCTEOSA-N 433.371 4.703 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC 1354563109 ICSKOJPLPRZIJM-UEFIHSGGSA-N 440.515 4.665 30 10 IJEE C=CCn1c(-c2oc3ccccc3c2C)nnc1N1CCC(NC(=O)CCCCC)CC1 1355368936 AGGDWRKIDBZEDJ-UHFFFAOYSA-N 435.572 4.851 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1)c1ccccc1 1357193570 XVPZYJUMUYWTNC-LJQANCHMSA-N 425.330 4.777 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N1CCC(C)CC1 1358878217 SQHOSBSAUILKBM-UXHICEINSA-N 439.673 4.854 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCC[C@H]1CC 1359014207 AOEJMDUOEGVBQO-OAQYLSRUSA-N 425.646 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1Cc1ccnc(SC)c1 1359074350 ZSLAQMFBBBACFO-RUZDIDTESA-N 447.608 4.577 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1359132039 LKGCYCBYSUOSKX-NRFANRHFSA-N 430.980 4.760 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359175505 OMHAVEFOVYJPMY-NHCUHLMSSA-N 437.632 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@H](C2CCC2)C1 1359184389 NHBWOCLJEVZIBW-HXUWFJFHSA-N 439.560 4.709 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(=O)OC)C1 1359198311 NKGOJJVVVOQTPW-RTWAWAEBSA-N 440.588 4.781 30 10 IJEE C=CCCCCn1c(N2CCc3cc(F)cc(F)c3C2)nnc1[C@]1(OC(C)C)CCOC1 1359207126 ZSSMNUOFSQECNM-DEOSSOPVSA-N 446.542 4.516 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1OCCC1(C)C 1359254848 FYUXSLYEGAYYCY-FGZHOGPDSA-N 440.588 4.536 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C 1359266400 ZQULXDCNCXUCEI-FQEVSTJZSA-N 449.430 4.871 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCC1(C)C 1359278030 FPRWYXKQWVUKKB-OAQYLSRUSA-N 436.604 4.794 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)cc1 1360792753 ABXPBOYUBXBXGN-UHFFFAOYSA-N 435.501 4.537 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1cccc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1435176915 ZEURGMUQTFJBCF-QTIWRUEGSA-N 440.337 4.847 30 10 IJEE CCOC(=O)N1CCC([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 1436007457 DWSXFZRMKBJTEG-SFHVURJKSA-N 435.524 4.646 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Oc2cc(Br)cc(F)c2F)cc1OC 1436074530 HZBFGYXVLGSMEX-FNORWQNLSA-N 425.225 4.920 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1 1452966031 FKGXJCMTNDYWTI-UHFFFAOYSA-N 425.326 4.623 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3CCCc3ccccc3)CC2=O)cc1Cl 1458179219 DCBHFSXZMMBVDT-FCHUYYIVSA-N 449.982 4.969 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CCC3 1458823952 LKIBHZAECBUAJM-HNNXBMFYSA-N 439.606 4.869 30 10 IJEE COc1cc(CN(C2CC2)[C@H](C)C(=O)OC(C)(C)C)ccc1OCc1cccc(C#N)c1 1460224911 BSSTXBPPEUXNHK-GOSISDBHSA-N 436.552 4.840 30 10 IJEE C#CCN(Cc1cc(-n2ccnc2)cs1)[C@H]1CCOc2ccc(Br)cc21 1461985905 AZNOAFDLDRBHAM-IBGZPJMESA-N 428.355 4.655 30 10 IJEE C#C[C@H](N[C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1F 1462225112 LYYOOFKDCFAKMD-PXNSSMCTSA-N 436.955 4.692 30 10 IJEE C=CC1(CC(=O)NCCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)CCCCC1 1465182989 CVACABYTVMYUJC-UHFFFAOYSA-N 436.552 4.969 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 1470100518 ZQLJVDBZKRDKSY-PKOBYXMFSA-N 448.405 4.559 30 10 IJEE C=CCCC[C@H](NC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12)C(=O)OC 1471895027 IJTLHDBANBBEJM-QFIPXVFZSA-N 434.536 4.634 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 1475469272 ANIKHZLFFQCFJH-MSOLQXFVSA-N 436.533 4.746 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 1476483674 SKJQAKBIJWLAQS-HXUWFJFHSA-N 425.485 4.918 30 10 IJEE CCC(CC)(CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)NC(=O)OC(C)(C)C 1476496422 CNZSZOPAQVKVJR-UHFFFAOYSA-N 444.454 4.662 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 1478949690 UIFOYMQWNCFRBW-CIAFKFPVSA-N 425.573 4.672 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC1CCC(OC)CC1 1507521432 YLYLETSRLZOVSV-MWXLCCTBSA-N 431.584 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1507537358 UVGKXAGAMJNLEO-HOTGVXAUSA-N 440.016 4.610 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@@H]2CCOC2)CC1 1507575556 SBSTVUXKGSQPKL-JTHBVZDNSA-N 436.600 4.701 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCc1cccc(C)n1 1507703572 XCWSRPMVSGEMRR-UHFFFAOYSA-N 431.559 4.736 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@]1(C)C#C 1507758091 IBUFUJUOUDBDMW-OAQYLSRUSA-N 431.030 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C(C)C 1507793686 FOCJXQZKVPGATB-GGAORHGYSA-N 431.540 4.806 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)c2nc(C)cs2)CC1 1507892710 XYJVIWFJLOGVJX-KRWDZBQOSA-N 439.585 4.591 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1507903717 FMSVJMCQENOMNA-OAHLLOKOSA-N 429.615 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1507911429 GYSIEWNFZBQQFV-QFIPXVFZSA-N 446.643 4.987 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCCN1CCCC[C@@H]1C 1508000533 XWABYZKWYHWGIF-NRFANRHFSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CC[S@](=O)CC 1508009732 YIKKJVHWCVRTIC-MUUNZHRXSA-N 435.018 4.621 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CCCS1 1508021150 QJVACLWYFZIQHS-IXFSTUDKSA-N 447.649 4.513 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC[C@H](F)C2)C1 1508114582 LCHJGPSHKDYQLS-ZDWTUXFCSA-N 448.970 4.991 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCN1Cc1ccccc1 1508552294 GRIOWQJZDNTUFI-HSZRJFAPSA-N 434.632 4.661 30 10 IJEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)CCOC1(C)C 1512574882 GDQMKNCUBXUCBW-QUCCMNQESA-N 437.588 4.559 30 10 IJEE COc1ccccc1-c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(O)n1 1515746263 COORMBUAWCWQIW-UHFFFAOYSA-N 438.443 4.774 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C(C)(C)C)cc1 1517425483 RJQMAGLBYFHSBT-NJEKYYFSSA-N 426.601 4.806 30 10 IJEE CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1519604180 HWFVXXCVIHNECL-QGZVFWFLSA-N 444.969 4.790 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cc1OC 1519634042 DOCKFBGOJANALC-MLBQELRYSA-N 444.325 4.850 30 10 IJEE CSC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1519643799 BJXVFXNOVRWAPW-INIZCTEOSA-N 431.581 4.829 30 10 IJEE C#Cc1cccc(NC(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)c1 1524103348 XTDJOTWWRMKJRS-UHFFFAOYSA-N 447.354 4.995 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CCCN1C(=O)OC(C)(C)C 1527517611 PZZMPFPURUIWJQ-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE COc1cccc(N2CC[C@H](NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)C2)c1 1529670544 GWGRSISNRAZXMZ-NRFANRHFSA-N 427.504 4.676 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1ccccc1 1530683448 YBSRCYRPYPDGQC-GOSISDBHSA-N 439.499 4.865 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)C(C)C)ccc1F 1531421433 HAEQXSPVCBQKBA-GAJHUEQPSA-N 446.588 4.931 30 10 IJEE N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1 1533836380 GJBNRDBNRYTYKW-UHFFFAOYSA-N 449.383 4.621 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(C)ccc1Br 1535433541 WURBTRMBWMWWKU-UHFFFAOYSA-N 426.108 4.732 30 10 IJEE C#CCOc1cccc(OC(=O)c2cn(Cc3ccccc3)nc2-c2cccc(OC)c2)c1 1537546065 NIKBMMHGNVVCIW-UHFFFAOYSA-N 438.483 4.838 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1538677208 NNIPDMBOOIDXPM-SVMVAKDDSA-N 449.389 4.767 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)cc1 1538703983 GPOHQXXRIWLEDP-WIOPSUGQSA-N 435.545 4.504 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCSC1(C)C 1538984485 JSIOPNLUJQJFEO-ZBFHGGJFSA-N 433.419 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)CCC(C)C 1538985052 VNOIHOUVOAVDSX-HOYKHHGWSA-N 428.646 4.921 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1538992173 MKRBERPERGHBHP-IAGOWNOFSA-N 432.515 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1ccc(Cl)s1 1538992558 UDQRWMYPQGSIST-HNNXBMFYSA-N 444.988 4.768 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1539071531 WCQJYKZADSXVCI-LEWJYISDSA-N 430.543 4.590 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)c1nccs1 1539077917 MTRNGLUPPRNWHC-SFHVURJKSA-N 432.597 4.850 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cn(CCCC)nc1C 1539155466 WAPMNENQKRNSGF-QGZVFWFLSA-N 436.629 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cscc1C 1539296228 NIWPVNJVZJFXAS-FQEVSTJZSA-N 448.592 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)c1nc(C)cs1 1539307212 QDVMLAORXMWSNW-HNNXBMFYSA-N 441.963 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@@H](C)C1 1539622977 JJEKJAYDDGMHIX-WOYCLPQFSA-N 430.980 4.681 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2ccccc2C(C)C)CC1 1539830109 NHQHKRBJIPTCDN-UHFFFAOYSA-N 439.604 4.555 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2Cc2c(C)noc2C)CC1 1539881941 PNCJRCWZHVMALM-UHFFFAOYSA-N 442.361 4.763 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539903108 SMZRGMIXAWHHEY-AGQFNQOXSA-N 442.579 4.757 30 10 IJEE C=CCCOCCn1c(N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C 1540042047 KFFNDSSWHSNWLI-GGAORHGYSA-N 439.648 4.658 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccn1 1540191742 QTCIXAIIGCNRAS-UHFFFAOYSA-N 437.613 4.552 30 10 IJEE Cc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 1540352919 FBXAIWCQJVPKOQ-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1noc2c1CCCC2 1541106682 AJPZPAHRCPGQHT-ZDUSSCGKSA-N 445.354 4.763 30 10 IJEE Cc1ccccc1Nc1nc2sc(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)cc2s1 1546286396 DCUCYEPPODSWKX-KRWDZBQOSA-N 439.610 4.716 30 10 IJEE C=CCn1c(SCC[C@H]2CCNC2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1559315672 DKMDUBPLGKAPGU-WBVHZDCISA-N 444.670 4.962 30 10 IJEE CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)CCC2 1561438764 HJPFLKHGOWCOGW-HXUWFJFHSA-N 433.371 4.800 30 10 IJEE C#C[C@@H](C)NC(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1562547532 GMWZFXJTOHPZPN-CQSZACIVSA-N 427.302 4.655 30 10 IJEE Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(C)c1 1562566212 CFGZFAUYBOILEL-UHFFFAOYSA-N 443.551 4.953 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1F 1565002679 MSCCXBPLQBTTID-QRVBRYPASA-N 425.262 4.775 30 10 IJEE COc1ccc(-n2cc(O)c(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)n2)cc1 1566109682 BITWSRDKQNWQEC-UHFFFAOYSA-N 444.422 4.642 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 1567820723 BPFWGGDZSWPSRH-IBGZPJMESA-N 427.369 4.762 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1583437406 RSJBJDOFELPJLZ-IBGZPJMESA-N 426.992 4.532 30 10 IJEE C=CCc1cc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc(OC)c1OC 1583898533 FBGZHPXIXZGFDR-VGSWGCGISA-N 446.950 4.648 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccccc1 1584688219 XCYHSTRIVSIOSR-NRFANRHFSA-N 433.305 4.806 30 10 IJEE N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1584702523 CZPXXJXBJGUGSS-KUHUBIRLSA-N 427.298 4.941 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)CCCC1 1586149183 DVABJVYZZITPBL-HXUWFJFHSA-N 440.609 4.983 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCOCC)[C@@H]1CCc2ccccc21 1587276485 AHQHVAQQCLDEDG-VQTJNVASSA-N 436.980 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C)cc1F 1588099477 OBIDCFORXGVCSJ-UHFFFAOYSA-N 432.568 4.844 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1Cc1cscc1C 1588205115 CYMWLQPTUCSUPK-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C)CCC1 1588254521 YBIYTQLAGOEDPK-UHFFFAOYSA-N 431.367 4.817 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CCOCC1 1588265494 BRBHUUQJMYJOJM-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)OC1CCCC1 1589304893 MAUPBEXDTPJZFK-UHFFFAOYSA-N 443.349 4.554 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CCOc2ccc(Cl)cc2)nnc1C(C)(C)C 1589581933 WTRLTVCMHJXEIL-FXAWDEMLSA-N 432.996 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(C2CC2)C1 1589600288 ZQJDCOVLRROHMC-RTBURBONSA-N 444.023 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1589675530 FIQNBALJNOCAAF-IAGOWNOFSA-N 437.613 4.969 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CN(C)CCC)C1 1593671534 MGPYEUWYZOCLHU-NRFANRHFSA-N 439.648 4.899 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCCCC1 1593844563 CILVCOBOMAOMEC-UHFFFAOYSA-N 425.758 4.849 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](OC)C1 1594461075 HYSGZNZVJWSMNW-MRXNPFEDSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](CCC)C1 1594693296 XAGKSLVYTMITQZ-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)CN1CCCCC1 1594856534 GSKFHOHPVASKRC-KNQAVFIVSA-N 425.621 4.779 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2)CCC1 1594885975 TWNLSLHUNYDSHF-UHFFFAOYSA-N 426.362 4.780 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1594981008 SOKNOMBXYGIJON-CVDCTZTESA-N 439.604 4.775 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)c1ccccc1F)C1CC1 1595027080 XSUWDBYJIQVCHU-VWLOTQADSA-N 442.579 4.590 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCCn1ccnc1C)C1CC1 1595033759 OLIKLAIZDKNQQY-UHFFFAOYSA-N 447.406 4.519 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(OC)cc2)n1CC(F)(F)F 1595165738 LGPFSNMQMXZLKZ-UHFFFAOYSA-N 438.475 4.682 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)C2CCCCC2)C1 1595681423 QWPFREAQMJUSEL-QPPBQGQZSA-N 445.007 4.711 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](OCC(C)C)C1 1595854913 QZHNRPJGIVPCIZ-KRWDZBQOSA-N 439.000 4.908 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)cc1 1596979497 ZLGWBEBZXXYTAZ-NRFANRHFSA-N 433.305 4.806 30 10 IJEE Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c(OCC(F)(F)F)c1 1612083351 FBYVBYWHXGFBKE-QFIPXVFZSA-N 449.521 4.905 30 10 IJEE C=CCn1c(SC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc2ccccc2c1=O 1613241132 QECOZDDAFZXVIV-QGZVFWFLSA-N 429.586 4.712 30 10 IJEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 1615439007 AUZHWHKUDICJSG-UHFFFAOYSA-N 448.640 4.994 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1616400081 WLRUTAZWCIJZCE-QHCPKHFHSA-N 432.486 4.978 30 10 IJEE C[C@@H]1C[C@H](CO)CN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 1623163820 GDPPEUMUGLABLD-CABCVRRESA-N 433.430 4.852 30 10 IJEE O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 1623899682 GPSMCQSAMBROIN-KRWDZBQOSA-N 449.370 4.980 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(-n3ccc(C(=O)OCC)n3)c(F)c2)CCCC1 1626851725 IBMAIIDSIPMKMY-UHFFFAOYSA-N 428.508 4.836 30 10 IJEE C=CCn1c(SCC(=O)NCC2(OC)CCCCCC2)nnc1-c1ccc(Cl)cc1 1627451526 WJSHRNDAFLRYSC-UHFFFAOYSA-N 449.020 4.732 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CCC[S@](=O)c1ccc(Br)cc1 1629019868 NVBDIXOGSAUDMD-VWLOTQADSA-N 426.420 4.932 30 10 IJEE C#CCN1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1 1629542450 NVTYIIDZFKYADL-UHFFFAOYSA-N 436.474 4.777 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 1629831581 CJJBJQMGRQZWTN-RBBKRZOGSA-N 435.653 4.739 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 1631504699 STNVVOCTKGCAIW-XLIONFOSSA-N 435.996 4.532 30 10 IJEE C[C@@H](CCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 1632678432 FJWNRECASSEEDL-KRWDZBQOSA-N 430.474 4.602 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1639107630 FVEJKXRORWRKBX-YKSBVNFPSA-N 429.561 4.638 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1639869034 GEWYUKDAXKQDJH-MRXNPFEDSA-N 437.590 4.559 30 10 IJEE C=CCn1c(Sc2cc(OCC)nc(C)n2)nnc1-c1ccc(Br)cc1 1642012437 GOGNGXPNJMQKEB-UHFFFAOYSA-N 432.347 4.542 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(Nc3cccc(C(=O)OC)c3)CC2)cc1OC 1652396879 YSUCYUJWLAIZKD-UHFFFAOYSA-N 444.959 4.777 30 10 IJEE C=CCN(CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)C(C)C 1653232540 TZTIQMYHFZAYRU-NRFANRHFSA-N 430.474 4.684 30 10 IJEE C#C[C@@H]1CCCCN1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 1655829877 JHYPKNAATYHEHJ-JOCHJYFZSA-N 433.552 4.970 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3sc(C)c(C)c3c(=O)n2-c2ccc(Cl)cc2)C1=O 1655982391 YUZZMHLSZFQKJJ-MRXNPFEDSA-N 445.997 4.596 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(CC)cc(CC)cc1CC)c1ccc(Br)cc1 1664133255 JRUWWCSVLWBUHQ-HXUWFJFHSA-N 434.399 4.789 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(C)cc(F)c2)c1 1666095567 ORHFMVNGSNKPHS-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE C#CCN(C(=O)Nc1ccn(CCC(C)C)n1)[C@H]1CCOc2ccc(Br)cc21 1669771395 ITDNWQZOSMQREC-SFHVURJKSA-N 445.361 4.683 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(Cc2ccc(OCC)cc2)CC1)c1ccc(F)c(F)c1 1671851126 BHBXSNZOIJMZPX-HSZRJFAPSA-N 429.511 4.508 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)[C@H](C)CCO 1672210016 OKBTUQUVJXQIDV-MRXNPFEDSA-N 433.346 4.819 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccc(Br)cc1 1674025650 KAOCFQRSRCMYLM-YLJYHZDGSA-N 443.316 4.567 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 1677190430 WSLGZYVQUGUQEN-SANMLTNESA-N 426.516 4.612 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cn(C(F)F)c3ccccc23)cc(OC)c1OC 1677640783 BICXECXREJFBRZ-UHFFFAOYSA-N 429.467 4.782 30 10 IJEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1679507065 ATZOVVORTXPPBH-HSZRJFAPSA-N 444.604 4.745 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC(C)(C)COc3ccc(C(F)(F)F)cn3)cc21 1680802027 ANXTUKCGKHNZMJ-UHFFFAOYSA-N 433.434 4.615 30 10 IJEE C#Cc1ccc(NC(=O)N(CCOC)Cc2cc(Br)cs2)c(Cl)c1 1680872881 BRCUFAJYAFQMQD-UHFFFAOYSA-N 427.751 4.826 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C)c1ccc(Cl)cc1 1683703025 CKIYVKFFAPLMIC-REWPJTCUSA-N 428.923 4.990 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCCc1nc(C)cs1 1689828401 NTWCOTLYADPJIW-ZWKOTPCHSA-N 441.576 4.803 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC12CCC(CC1)C2 1690083221 BQZDNLLJYOQMCR-UHFFFAOYSA-N 443.389 4.659 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1690325609 CGHAZWWCZSLOGU-LJQANCHMSA-N 447.549 4.797 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCOCC1CC1 1690330493 ILRNBZVAYNLFOI-UHFFFAOYSA-N 444.004 4.992 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2ccc(C)nc2)CC1 1690369463 KQTWAVOBFWMHCX-UHFFFAOYSA-N 433.556 4.651 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2csc(C)n2)CC1 1690402715 NKHYKHVRSIYEHL-UHFFFAOYSA-N 445.539 4.957 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H](OC)C(F)(F)F 1690534530 ALGRKIQKJOWROS-HNNXBMFYSA-N 434.915 4.813 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1(COC)CCCCC1 1690559587 HMHICCKJARSCFP-UHFFFAOYSA-N 444.583 4.934 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]2CCC[C@H]21 1690737385 KQJPNDMYRNSNGS-FXAWDEMLSA-N 428.602 4.650 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705511153 JZEZIEHYOOTKPB-LJQANCHMSA-N 441.988 4.745 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)c2ccccc2)CC1 1705529413 HWDOERBSEBWKKO-UHFFFAOYSA-N 434.975 4.512 30 10 IJEE C#CCN(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(-c2ccsc2)nc1 1705557523 WGLXMXKUWMKZDR-UHFFFAOYSA-N 427.577 4.695 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCC 1705697303 UIENPSVARIXDDW-CZUORRHYSA-N 425.396 4.597 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC(C)C)C(C)C 1705708390 BTUSGAKPJSAYDJ-WMZHIEFXSA-N 430.568 4.848 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC#N)CC1 1705709332 NMZVIFRYAMZOTE-DHLKQENFSA-N 449.599 4.585 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nccs2)CC1 1705777165 YRELQJQLRLOYME-OAHLLOKOSA-N 429.977 4.979 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1705784735 HFTLQPVIKRUOEG-YADHBBJMSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1705788890 QNMZIZUCTHPBIW-UHFFFAOYSA-N 449.603 4.689 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)c1ccccc1 1705796290 CCXMYBAGBFUTMY-VJBWXMMDSA-N 438.616 4.611 30 10 IJEE C=CCCCn1c(N(C)[C@@H](C)c2cc(F)ccc2F)nnc1[C@]1(OC(C)C)CCOC1 1705823536 OIUNWICMGRQTKA-SBUREZEXSA-N 434.531 4.761 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO[C@@H]1C(C)C 1705882370 VEJKLAQTFWIKNB-NFBKMPQASA-N 438.572 4.781 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(OCC)CCCC2)C1 1705920886 GUZWKKJNMFWOSK-SFHVURJKSA-N 448.970 4.868 30 10 IJEE CCc1cnc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@H](C)C#N)s1 1708968284 BNJDZOFMUHJTPB-LSDHHAIUSA-N 440.642 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC1(OC)CCC1 1722285981 ZPHQWUDMUDODMN-IBGZPJMESA-N 434.540 4.534 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC2(CC2)C1 1722451374 JMBQSHIKWAECPL-QGZVFWFLSA-N 431.005 4.818 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1722477629 IESJJIQROZXAMV-HNNXBMFYSA-N 447.425 4.617 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1722486738 CFIQMHWFNUVJOB-UHFFFAOYSA-N 445.405 4.799 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)C1CCCCC1 1722486861 FXFNRTJZCZQRRO-UHFFFAOYSA-N 428.378 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1722494081 LLVMIIZUSCCAOV-IERDGZPVSA-N 446.473 4.881 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1722494618 QUGQZLICNIBXFW-MDASCCDHSA-N 447.377 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC)CC1 1722499768 ASHRHWWUXZZEBT-CVDCTZTESA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN1CCC[C@@H]1C 1722513419 YGMUDBXTTSFJTL-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2(COC)CCC2)CC1 1722564382 PCJQENAWEALORD-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2sc(C)nc2C)CC1 1722575957 CZBQXZWTRWTPSJ-UHFFFAOYSA-N 438.557 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](OC)C(C)C)CC1 1722576452 OWRFKORZGHERDP-IBGZPJMESA-N 433.394 4.781 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(C)nc2)CC1 1722576866 VVHBWOOZXPPEOA-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCc2cc(Br)ccc2F)CC1 1722579678 BQPKPYXMOYFYCD-LJQANCHMSA-N 449.368 4.676 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1722593210 KENLABHZFMAONC-PNJWGLBASA-N 438.616 4.987 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722598119 XTBYLSSJESAJKW-MSOLQXFVSA-N 433.547 4.822 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(Cl)ccn1 1722609374 ACVVBYXUGZVHHO-UHFFFAOYSA-N 435.757 4.687 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722683801 VUGHMZGYJCXGHW-TZMCWYRMSA-N 425.758 4.551 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H](C)c2nccs2)CCC1 1731060086 DTXNXTSJBSPGLX-MRXNPFEDSA-N 438.626 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCCc1nc2c(s1)CCCC2 1740550342 HVCMCEHGLXZQDK-LJQANCHMSA-N 433.625 4.603 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1740590348 CQAGPTSTCALMRY-UWJYYQICSA-N 441.000 4.964 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCO[C@@H]1CCCC[C@H]1C 1740648425 GOAKRXRHDMHEEK-QLBJFCOMSA-N 432.612 4.878 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(SC)CCOCC1 1740664244 JWOHPQPXKLKLJN-KRWDZBQOSA-N 444.670 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(C)C)C1 1740758640 AAMVGYLQILRUNP-PNCHPQGNSA-N 430.543 4.611 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC(CC(F)(F)F)CC1 1740792933 CVQIAQHBTRNBME-UHFFFAOYSA-N 428.524 4.692 30 10 IJEE C=C(Cl)Cn1c(-c2cccc3cccnc23)nnc1N1CCC=C(Br)C1 1740807310 WICKNOHPSJWKQZ-UHFFFAOYSA-N 430.737 4.735 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[C@@H]2C)CC1 1740819441 QSQILICTPAAGDP-ROUUACIJSA-N 426.561 4.564 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1740820579 JGLMBXZQKAHYOQ-QGZVFWFLSA-N 445.995 4.916 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@H](C)C2)CC1 1740835528 GJTMOBCHMRKYGE-DOTOQJQBSA-N 432.410 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnn(CC)c1 1740845899 FVLOOPPAXDPYTQ-UHFFFAOYSA-N 444.587 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1740849455 JXPKJEOTHCSGFL-QHCPKHFHSA-N 430.600 4.947 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@@H](C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740852746 RGMBPSFFCRQRCA-QGFMHUBQSA-N 431.625 4.743 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@](C)(O)[C@@H](C)CC 1740904453 LXNRSXKCTPHRAH-VBKZILBWSA-N 427.376 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(C)C)CC2)C1 1740973992 IBVUSHMYYQERRA-LJQANCHMSA-N 432.515 4.764 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)C)C1 1748723935 DGFMLGOERNTCRB-QHCPKHFHSA-N 438.616 4.819 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1csc(C)n1 1748912937 LZWNPZVSGXSDJP-UHFFFAOYSA-N 448.621 4.844 30 10 IJEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C[C@H](C)CC 1749103535 ASGABPIQKRHFIG-RDTXWAMCSA-N 435.366 4.572 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 1749385003 LCFQXKPHGYSUKY-FCHUYYIVSA-N 432.616 4.954 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC=C(COC)CC1 1749449417 NIEYXRGVLSTKOL-UHFFFAOYSA-N 437.371 4.628 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1cccc(F)c1 1749553022 DKRXDYZFFDMYCG-ZWKOTPCHSA-N 442.560 4.643 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](SC)C(C)(C)C)C1 1749715205 QQKHRJLVKORPED-SFTDATJTSA-N 428.646 4.736 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CC)C1 1749747012 SCUZPZPWIMPFIJ-OAHLLOKOSA-N 427.401 4.786 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1752130277 HFKUQWRSFAEJIZ-SFTDATJTSA-N 434.632 4.954 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cnn(CC(C)C)c1C 1760178016 VUYQVZCGOUSMBJ-UHFFFAOYSA-N 448.615 4.568 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1CCC(OC)CC1 1760178326 IRDZDDFBAKGGLK-UHFFFAOYSA-N 438.616 4.819 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCC[C@@H]1C 1760244635 BOOFEVFRRSQXNN-ICSRJNTNSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C(CC)CC)N(C)C 1760297537 YKLPJKMEAJYUIS-RPLLCQBOSA-N 446.643 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760316721 WEGMICZRQDJVID-BDHVOXNPSA-N 430.637 4.947 30 10 IJEE C=C(C)COCCn1c(Nc2ccn(C)n2)nnc1-c1sc2ccccc2c1Cl 1760361483 YTVLGZDHPVWNEB-UHFFFAOYSA-N 428.949 4.883 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1Br 1760446019 DJPHNNHSEMCKRN-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC1(C)C 1760447557 MNMMWVACWGSMSM-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC(F)(F)C1 1760478688 PAPKOCLQGLJBDM-AZUAARDMSA-N 432.515 4.766 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CC1CCN(C(C)=O)CC1 1760485617 KGTVMEOKEVCLHT-UHFFFAOYSA-N 449.624 4.766 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1760508339 VXTZKMJHBILPDV-YJBOKZPZSA-N 433.394 4.843 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN(C)C2CCCCC2)C1 1760537052 IKFATXKHLWWTGW-JOCHJYFZSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCOCC1 1760559951 MLRGKALBXPCTNW-UHFFFAOYSA-N 435.018 4.959 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCC1(C)C 1769818896 DXZSUBSBLNXXAH-HSZRJFAPSA-N 444.583 4.691 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12 1858242163 SHKWSKVXSWEELV-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862383198 JDYHRDNSPZZVGG-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862450847 QKTQAFRGYJBTKF-QGZVFWFLSA-N 439.817 4.584 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)c1 1862465567 SPMYFHWHGLFDFL-LJQANCHMSA-N 428.326 4.992 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862479227 BMBOSOZZNIJXSG-XMMPIXPASA-N 441.483 4.545 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])ccc1F 1862506117 JLEXWFKHUHIMGK-OAQYLSRUSA-N 438.455 4.953 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(O)c1 1862597436 KKPGHCRPHFOKLQ-IBGZPJMESA-N 443.377 4.783 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1CCCO 1862721288 DKBYTIHWIDBDOV-DEOSSOPVSA-N 427.500 4.623 30 10 IJEE CCCOc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)c1 1862753361 VYKMFJYWDIRTSF-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N([C@H](C)c2ccc(OC)cc2)C1=O 1863635432 GDCZUCLOPDGMAL-CYBMUJFWSA-N 431.319 4.619 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2cc(C)ccc2C)C1=O 1863740291 UOTIIIOOQYHCMT-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CCCc3ccccc3OC)CC2)nc(C(C)C)n1 1869094557 ZXRZRBWTJMSZGE-UHFFFAOYSA-N 449.643 4.542 30 10 IJEE CCCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCOCC 1870348551 CFDYZTAXWQCJOR-UHFFFAOYSA-N 439.600 4.738 30 10 IJEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871252142 MUYPBCHIMYCLBM-UHFFFAOYSA-N 435.911 4.759 30 10 IJEE Cc1cc(O)c(CN2CCC[C@@H](CO)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871398640 MYWHFJRHEGRYIA-OCBAHULYSA-N 448.346 4.828 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c(OC)c1 1871420419 WGPIIKYOXXVQOK-MSXFZWOLSA-N 445.471 4.646 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872488274 FVFLJISTELKRQC-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE N#C[C@@H](C(=O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872765988 AIWDVFCRSUTOIH-SFHVURJKSA-N 449.919 4.716 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1F 1872775246 MIMPIHUCIQGDKV-SVERHTFXSA-N 436.464 4.619 30 10 IJEE O=C1C(O)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1CCc1ccc(F)cc1 1872955925 URGLPSMQKMICSP-UHFFFAOYSA-N 447.306 4.744 30 10 IJEE CCCCCCCCN1C(=O)C(NC2CCCCC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1873140231 WFTQXCOAUYXYJZ-UHFFFAOYSA-N 427.545 4.958 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666300 MPXRGVINKDKQGU-ROUUACIJSA-N 433.556 4.751 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1C 1874219065 SVAPRHCJIDTFKW-MFKUBSTISA-N 436.581 4.939 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)cc1 1874305820 QKUFOJOSLKGXLG-JVWAILMASA-N 447.539 4.781 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1 1874400996 FQSNLRFNSISXCZ-GDQCRLHRSA-N 440.544 4.743 30 10 IJEE Oc1nc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)nc2ccccc12 1874429142 SZZDARRJTRGTHL-YDZHTSKRSA-N 444.545 4.830 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874430259 ACCIBTHHGJJYCU-BHGWPJFGSA-N 446.935 4.911 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2)c1 1874458611 XFUKNQSZZRZYSF-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cccc(F)c1 1874478336 VQJMYYXAZKQJFG-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CCC2)cc(OC)c1O 1874494000 PLTVQCMOVNKRMC-ZMOGYAJESA-N 438.553 4.751 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccc(F)cc1F 1874504886 GNYXIKQIMOLBIP-DHRITJCHSA-N 443.523 4.684 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)cc1 1874696499 DQODMNRSZUDTAA-RIYZIHGNSA-N 432.472 4.757 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1 1875131233 NGCWNIXIHZPHHJ-NYYWCZLTSA-N 446.455 4.938 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC(C)(C)N(c2cc(Br)c(C#N)cc2F)C1 1878986089 IDELEEHGCIEPAO-CYBMUJFWSA-N 426.330 4.732 30 10 IJEE Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cccc2c1=O 1891853186 HVCLVVSXUSIIIY-UHFFFAOYSA-N 449.510 4.603 30 10 IJEE C=C(COC(C)C)[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947485766 URKCPHSSJZTFGJ-GOTSBHOMSA-N 434.621 4.836 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)CC#N 1963190921 OGWGIEGJBLZZCY-HOYKHHGWSA-N 447.579 4.996 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCCN(c2cc(Br)c(C#N)cc2F)C1 1965555023 WHFXTLDFSFBBHN-CYBMUJFWSA-N 426.330 4.591 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 1981306960 VDCDAGNGGHPHKQ-YADHBBJMSA-N 430.614 4.935 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 1991397689 CTNVQMPYNAMTMQ-DJJJIMSYSA-N 435.487 4.714 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Cc2ccc(I)c(Cl)c2)C1 1995484757 XTQCOSDMWVUMEY-QGZVFWFLSA-N 446.716 4.638 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2020326402 JEDGSUYIYUYEQG-IBGZPJMESA-N 437.625 4.759 30 10 IJEE CC1(C)OB(c2ccccc2NC(=O)c2cscc2OCc2ccccc2)OC1(C)C 2038688898 RFGLQKNHNUYZSG-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NC 2047976152 KGZOHXQPSZDJCP-CVEARBPZSA-N 429.786 4.540 30 10 IJEE FC(F)(F)C[C@@H]1CSC(=NCc2scc(Br)c2Br)N1 2094177454 ONRLZBLSPZQPTM-RXMQYKEDSA-N 438.132 4.787 30 10 IJEE CN(Cc1ccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2101329558 SOQHCSHHZTUMIU-UHFFFAOYSA-N 442.365 4.558 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2ccc(Br)cc2C#N)CC1 2106957694 XKTHBAKHZQNDMR-MRXNPFEDSA-N 426.330 4.718 30 10 IJEE C=CCC1(C(=O)NCc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2124499154 HABKHLQSRNWIAU-UHFFFAOYSA-N 443.769 4.532 30 10 IJEE C=CCC1(Nc2ccc(N)c3cc(Br)cnc23)CN(C(=O)OC(C)(C)C)C1 2162495180 AAKDFLJRRYAJOF-UHFFFAOYSA-N 433.350 4.557 30 10 IJEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1c1cc(Br)cc(F)c1C#N 2174809041 VKAIAAKJAJPQLX-YLQAJVPDSA-N 438.341 4.542 30 10 IJEE CC1(C)C[C@@H](C(=O)Nc2cc(Br)ccc2C#N)CN(C(=O)OC(C)(C)C)C1 2181106416 WAHSLWHZUWXHPW-CQSZACIVSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)Nc1ccc(C#N)c(Br)c1 2181107831 MELLKSCKXPQNCZ-INIZCTEOSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)CCC1(C)C 2231323861 APYWIJGDUUGQSD-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]12CC[C@@H]1CCN2C(=O)OC(C)(C)C 2235732884 SSGRCAYSUWAMCG-SFGWALBWSA-N 433.390 4.568 30 10 IJEE CN(CCc1ccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267565539 PIZWSRZMSPZOFC-RBUKOAKNSA-N 444.381 4.517 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)cc1 2268647860 SHFWLRSDPSIHJL-IBGZPJMESA-N 442.365 4.508 30 10 IJEE CCN(CC)CCN=C1SC(=CC=C2Sc3ccccc3N2CC)C(=O)N1CC 2294737311 OTEYEAOLHPQARO-UHFFFAOYSA-N 430.643 4.637 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](N)(C#Cc2ccc(Br)cc2)C[C@@H]1C1CCC1 2296233650 ZJCOEZBQAVNEKE-DENIHFKCSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2296272727 LXGONPXZGSPFQF-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 2296277474 SQFZKZIOFZSRAK-MISYRCLQSA-N 433.390 4.638 30 10 IJEE CCCC1([C@H](N)C#Cc2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1 2296278518 FLJSDJRAVMOJIP-LJQANCHMSA-N 435.406 4.945 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C 2296289433 RONPHPPGECBKKX-NSISKUIASA-N 435.406 4.957 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296294701 XBWBMGOWTACGQY-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)C=CCCN1C(=O)OC(C)(C)C 2296294742 XKOFMQNOWKQRTH-KNQAVFIVSA-N 433.390 4.734 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1(C)CC1 2296310011 DEQPPLWLDOVIHB-RTBURBONSA-N 435.406 4.862 30 10 IJEE O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1SC(=Nc2ccccc2)N(c2ccccc2)C1=O 2296686354 VSXMJSFBNLNLBA-UHFFFAOYSA-N 442.456 4.726 30 10 IJEE CN(CCCSCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)OC(C)(C)C 2303382535 BOQTWDDIBZXFAX-UHFFFAOYSA-N 439.402 4.615 30 10 IJEE CCCOc1ccccc1C=Nn1c(C)nnc1SCC(=O)Nc1ccccc1CC 2321090446 RDEKQDTXHCUTFV-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCOc1ccccc1)C3 2322038228 PYLKTLSVCFXMBY-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(F)c(F)c2)cccc1OC 2322784981 LPBBWHLTHLWNBH-UHFFFAOYSA-N 431.479 4.897 30 10 IJEE C[C@H](NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1)c1ccccc1 2323181888 OIHQULIZTQYUPG-IBGZPJMESA-N 443.499 4.610 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1Cl 2325710794 WHHXSXCSEVLGOY-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325728415 YZPAJWDAIFXQTP-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(O)cc1O 2327094616 LPROCPNPNOMGET-UHFFFAOYSA-N 438.553 4.560 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)c(OC)c1 2328798681 NUQAEYZMGPAUQA-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)ccc1O 2330961470 ZJBHKAIWADEOLC-IBGZPJMESA-N 442.516 4.548 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)c1OC 2331108739 GWGBHTVJZSFEFP-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)[C@H]1CCCO1 2331182955 OMEJXCXPPBKMSS-LJQANCHMSA-N 445.309 4.828 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2331273741 OUNVDXIUYSEHSV-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(OC)cc1 2331611967 KGEYCOCPJGTSBN-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2ccccc2C)c2ccccc2)cc1 2332190595 ZAGXFTMSSQTYJK-UHFFFAOYSA-N 435.487 4.635 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CC1CC1 2339597882 VMJYRCZTIWRBLG-JXOMPUQVSA-N 444.381 4.798 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2363628373 ZGGXKCSTGNEHRW-RTBURBONSA-N 449.414 4.586 30 10 IJEE C=C(C)CN(C(C)C)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2374214677 XNKMPEWUDSOHBF-AWEZNQCLSA-N 425.186 4.859 30 10 IJEE C=CCN1C(=O)[C@H](C)Oc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081427 RKBMSQIENGCJHY-OLZOCXBDSA-N 435.307 4.699 30 10 IJEE Cc1cc(C)cc(/N=C2/C(=O)N(CN3CCN(c4ccccc4F)CC3)c3ccccc32)c1 16268950 WTQFWBTUUIUMTB-PBBVDAKRSA-N 442.538 4.690 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)cc1 21076892 DFILCXFOLMAODE-SSDVNMTOSA-N 449.367 4.987 30 10 IJEE C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1OC 21177449 ALIXCSZBDKFUIR-MRXNPFEDSA-N 446.532 4.838 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Br)cc1 21249661 WHZDZNCRRNKQAT-QAPCUYQASA-N 440.337 4.852 30 10 IJEE COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(F)ccc2F)ccc1OC(C)C 21254171 DYNTVFIAHVJPCU-QAPCUYQASA-N 441.474 4.765 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(OC)c2)c1C 32972019 REFHEDCRLJXVSB-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(F)cc2)Nc2cc(C)ccc2C)c1C 32973234 JEEMXEPZHMKXQX-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE COc1cc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccccc2)ccc1O 33414377 FIPNWKDLZYPFQW-JYAZYPBOSA-N 427.456 4.583 30 10 IJEE Cc1ccc2c(c1)C(N1CCN(C(=O)c3cccc(C#N)c3)[C@H](C)C1)=Nc1ccccc1O2 34813663 BDWZAGSNBHZMKK-LJQANCHMSA-N 436.515 4.897 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1OC 34954457 LVNLUTZZYDDUKO-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)c1 34955414 YLFLAOPTRVKJTG-DHZHZOJOSA-N 448.471 4.836 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C 36306409 VSWJUMISZWCDQH-QHCPKHFHSA-N 449.595 4.962 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)OCc3ccccc3)c2C)C1=O 41432485 VHEGSNHETMXEFM-UCQKPKSFSA-N 430.456 4.742 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N/N=C\c3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 47137405 PHMNNETYGPUWHH-QXZAMSPYSA-N 446.532 4.558 30 10 IJEE C=CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cccc([N+](=O)[O-])c1 63288379 CPINZDLFVOZXHC-UHFFFAOYSA-N 427.810 4.894 30 10 IJEE CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)Nc3ccccc3C#N)c2C1 65000945 SJKLTYABTDCRLV-UHFFFAOYSA-N 445.906 4.770 30 10 IJEE CCCCCCCCCC(=O)N1CCC(N2CCC(C(=O)NCc3ccco3)CC2)CC1 102997865 VBUFRVQKEGPXIG-UHFFFAOYSA-N 445.648 4.740 30 10 IJEE O=C1/C(=C\Nc2ccc(Cl)cc2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 105335956 OCLIYBIGCLFSRT-LDADJPATSA-N 430.938 4.888 30 10 IJEE Cc1cccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)c1 105337077 CDIXSRADUKSZFR-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1[C@@H]1COc2ccccc2O1 115183378 AAPPVBXHQWSGTJ-KXBFYZLASA-N 447.520 4.880 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(O)cc2)c1 169958924 RNNITXLMAUWDEN-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1 170015488 ZBHFVTXWGRHRBU-NRFANRHFSA-N 433.895 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170025020 NAOGJNUQBSVTSC-OAQYLSRUSA-N 436.870 4.695 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170065454 VMDQYKMUSMZOHR-HSZRJFAPSA-N 447.437 4.678 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccn2)cc1C 170182548 WNPIZGZHBNMRKT-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccnc2)cc1C 170186788 WTBSBSYGWXZLDA-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1 170241009 KKKMQWJIUAWLLW-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1Cc1cccs1 170269786 UIWAQJJAXSPTCC-QFIPXVFZSA-N 447.512 4.606 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)cc1C 170282150 XNSRXRUDGNGXOO-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311353 LGUKXQOSWJUJQU-IQMFZBJNSA-N 447.462 4.829 30 10 IJEE N#Cc1sc(Nc2ccc(I)cc2Br)nc1Cl 310377938 IRPRMLXIBAYQIH-UHFFFAOYSA-N 440.491 4.779 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 504270294 GVZITMALIHGUOR-UHFFFAOYSA-N 436.533 4.867 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)CCCO3)c1 506020209 URJQGHOPIMEXIH-UHFFFAOYSA-N 443.528 4.866 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 520961427 UXGBVIAXULDXSP-UHFFFAOYSA-N 442.485 4.703 30 10 IJEE COc1cc(OC)c([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607138 RUUIVUPFGHRCAJ-QFIPXVFZSA-N 448.500 4.703 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1Br 526804296 MGTOIBSXURYPAK-NHDPSOOVSA-N 431.359 4.841 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2cccs2)C1 558997576 FLZLXMZHMWMFSN-VWPQPMDRSA-N 436.581 4.739 30 10 IJEE CCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3ccc(C#N)cc3F)cc2)cc1 609252221 LPLUDBRLRXOUMN-UHFFFAOYSA-N 432.455 4.670 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCc1cccc(Br)c1 609422942 HOADUEDNIWWWTN-UHFFFAOYSA-N 432.318 4.688 30 10 IJEE N#Cc1ccc(CNC(=O)NCCCCSc2ccccc2Br)c(F)c1 609679711 JLCWQCAIJBODQY-UHFFFAOYSA-N 436.350 4.832 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 734429400 GZAZGPPRFLEEST-QFIPXVFZSA-N 449.551 4.657 30 10 IJEE COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)NCc1ccc(C#N)cc1F 742640467 RAWFDAKPJCVIBQ-UHFFFAOYSA-N 433.867 4.636 30 10 IJEE COc1ccc(NC(=O)[C@@H](NCc2ccc(OC)c(C#N)c2)c2ccccc2)cc1Cl 746575478 DGKYWUYUSBYJME-QHCPKHFHSA-N 435.911 4.698 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)n2ccc(=NCC(F)(F)F)cc2)c1 764956216 HXLFJSMOMUYQLO-UHFFFAOYSA-N 431.801 4.957 30 10 IJEE CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccccc1 787037429 QZIHCSDERIMUBD-CRAIPNDOSA-N 425.460 4.678 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@]2(CC=CCC2)C1 802593161 DHXWXEGGWUALAR-RUZDIDTESA-N 435.572 4.607 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccc(F)cc1 812755200 OECUZORYLNDLSG-JOCHJYFZSA-N 438.568 4.719 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CC1)c1ccc(F)c(F)c1 814383481 YBOSTEJOMMFJCF-UEXGIBASSA-N 449.542 4.871 30 10 IJEE CC/C(=N\OCC(=O)OC1CCC(C(C)(C)C)CC1)c1ccc2c(c1)N(CC)C(=O)CO2 821222958 AROZFGRPOBVOLL-LHLOQNFPSA-N 444.572 4.711 30 10 IJEE Cc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3cc5ccccc5nc3O)CC(=O)O4)C2=O)o1 1081803910 NCLUYZSTWPIDQM-RYFGYPJOSA-N 439.423 4.899 30 10 IJEE COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1084222505 VXVHMFXTRNFPLR-UHFFFAOYSA-N 448.460 4.878 30 10 IJEE CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1 1124671067 FIMWQRMICIKOJI-KKSFZXQISA-N 430.335 4.731 30 10 IJEE Cc1c(C#N)c(NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)n(-c2ccccc2)c1C 1125028399 DNNMSQCMXNJKNN-UHFFFAOYSA-N 449.514 4.794 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 1136323737 LIVXNSRTNICVQT-INIZCTEOSA-N 429.895 4.539 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 1141556394 VQCOUIZBUMCGNS-QGZVFWFLSA-N 427.372 4.957 30 10 IJEE Cc1ccc2nc(CSCC(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)cn2c1 1162667591 FGCKUOSNFFQHKR-INIZCTEOSA-N 446.498 4.836 30 10 IJEE CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@@H](C)C(=O)Nc1ccccc1 1168072952 DNAOZRNMRVPYHP-FQEVSTJZSA-N 449.599 4.769 30 10 IJEE CC(C)(C)c1cc(NC(=O)CN2CCC(c3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 1176577946 HYDNGLDRFAUQFR-UHFFFAOYSA-N 441.579 4.860 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1180897226 QWFBPENQBRRRHJ-UHFFFAOYSA-N 432.992 4.965 30 10 IJEE C=CCCC[C@H](NCC(=O)Nc1cccc(I)c1)c1ccccc1 1197368941 PNRSPCVKTXJQBV-IBGZPJMESA-N 434.321 4.917 30 10 IJEE COC(=O)[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c2ccccc21 1214605297 BGHODHLPYLUGKS-SMIHKQSGSA-N 425.488 4.865 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(SC)cc2)C1 1255363622 LRGLEZPAIUONLU-FQEVSTJZSA-N 441.572 4.579 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCCC[C@H]2C1 1256706036 PXYKIHDCXSHZGW-PMACEKPBSA-N 429.609 4.595 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2)c1ccc(Cl)cc1F 1275497368 ABPAEBGJACBOEG-LJQANCHMSA-N 425.866 4.705 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 1286309631 SXMRZXKSSYNHKA-PKOBYXMFSA-N 447.505 4.751 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C)=C(Br)C1 1286341270 CQBDFKONTZEKFN-INIZCTEOSA-N 447.352 4.850 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)CCOC 1286422095 VUUXSCFIDJNWCH-UHFFFAOYSA-N 438.641 4.801 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN1CCCCC1 1286516129 WOVMPPGXKHERGQ-YADARESESA-N 426.008 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1csc(CC)n1 1286583111 IYVDUMAGGXRXHE-UHFFFAOYSA-N 431.993 4.980 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2sccc2C1 1286609381 KCXUDRFZMGBKFM-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1286697560 QBICRGIVZLUDLS-UHFFFAOYSA-N 435.572 4.610 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286746300 VFDOIWNDRHTKIS-FGZHOGPDSA-N 439.648 4.557 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286746377 WPOYDLBZOBOZTD-NVQXNPDNSA-N 438.616 4.788 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCCc2sccc2C1)C(C)C 1286750453 ARUDKDPHEWZRKJ-OAQYLSRUSA-N 425.646 4.868 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1286836400 MIUCANGBOAOHDL-MBSDFSHPSA-N 449.665 4.896 30 10 IJEE CC(C)(C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1286997408 DKANTDFWONXDBF-UHFFFAOYSA-N 446.555 4.599 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(C(F)(F)F)c1 1300643753 MGOBSBMHPAPWPD-UHFFFAOYSA-N 445.514 4.800 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC1(OC)CCCC1 1300817528 OYYHDOVECCNTCZ-HSZRJFAPSA-N 440.613 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCn1cc(C)cn1 1300899233 BSDWQXUMVFTWHL-GOSISDBHSA-N 428.968 4.679 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1301127863 WCIFKLSFNYGGRT-UXHICEINSA-N 425.596 4.531 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](CC)C1)c1ccccc1 1301167793 GLWPRQAMFRVMCN-GMKZXUHWSA-N 448.615 4.503 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1301176090 PGJGIQWCDBPWNF-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1Cl 1301186426 YIJHGOHCFUJFHK-UHFFFAOYSA-N 427.936 4.652 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@H](COC)C1 1301202778 QUEUJDXLYFKARD-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccccn1 1301246635 VGBUICGIZWIIEX-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC(F)(F)C1 1301342251 UFFJQKWEJGHGBH-NRFANRHFSA-N 448.521 4.764 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301602352 OLPKFVUPDMJIPR-RTBURBONSA-N 449.020 4.674 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@](C)(C#N)C2)C1 1307030391 BXWJTIHRZDTXHD-HXOBKFHXSA-N 444.986 4.600 30 10 IJEE C#C[C@@](C)(CC)NCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(OC)cc1 1307781627 KQBQCFXWIRNGTO-IAPPQJPRSA-N 439.559 4.918 30 10 IJEE COc1cc2c(cc1Cl)CN(CC(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 1307801820 AUDUYSUBRULUBR-UHFFFAOYSA-N 429.973 4.547 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)C1 1314597486 GPXWSMCPEPZQPP-AZUAARDMSA-N 427.643 4.682 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(C)nc1-c1cccs1 1352320324 VVSIAIZZEBDOCK-UHFFFAOYSA-N 434.334 4.879 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 1353282130 HMMNEUHVORGBDB-OAQYLSRUSA-N 428.532 4.853 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(Sc4ccc(F)cc4)cc3)cc2C1=O 1357578616 UFAKBHRJJQRNPC-UHFFFAOYSA-N 446.503 4.689 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC1CCC(OC)CC1 1358986091 NQBYDCIGVSEVOW-UHFFFAOYSA-N 444.623 4.806 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@H]1C 1358988827 FMIWUIJIKQCFDH-IAGOWNOFSA-N 443.364 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1csc(C)n1 1359064350 QPVNFTCRSWOVAK-WAIKUNEKSA-N 439.560 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1359109873 SDCQNNPYCOXJIU-SFTDATJTSA-N 425.621 4.724 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1359131239 MNNZAMMNWASFFZ-UHFFFAOYSA-N 447.505 4.808 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)c(OC)c2)CC1 1359160786 DKBRRMZJABWJOA-UHFFFAOYSA-N 442.361 4.557 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1359176449 ZKSAVKGUHMDYAF-VWLOTQADSA-N 442.604 4.550 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCc2nccn2C1 1359196331 CVNYZMACBIXBAZ-SFHVURJKSA-N 439.995 4.635 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccsc1 1359256897 UBLYUFBSUCTKAO-RUZDIDTESA-N 447.608 4.969 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1C 1359270370 MPDFARNNXJCKJO-WOJBJXKFSA-N 446.599 4.851 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCC1(F)F 1359271859 FPFFOYRKFQSYRJ-PXNSSMCTSA-N 430.499 4.795 30 10 IJEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCC1(F)F 1359282457 BGMUKDNAGWMRDH-HXUWFJFHSA-N 443.542 4.745 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(C)CCCS2)C1 1359325752 MDZWWTMTQWXHBR-QPPBQGQZSA-N 442.629 4.541 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1359889001 HCIUTRKWFHBMMJ-NRFANRHFSA-N 442.478 4.676 30 10 IJEE C#CCN(C(=O)Cc1cc(F)c(C)cc1F)[C@H]1CCOc2ccc(Br)cc21 1360310762 KWRYKMRANAJVOU-IBGZPJMESA-N 434.280 4.564 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1 1434892023 UUCCFNIOTNQJPB-HSZRJFAPSA-N 440.609 4.618 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1ccc(C(=O)NC2CC2)cc1 1435074343 GVGFANUSXAYMHL-UHFFFAOYSA-N 429.907 4.951 30 10 IJEE C=CCn1c(SCC(=O)N2CCSC3(CCC3)CC2)nnc1-c1ccc(Cl)cc1 1436730619 WCAAPKOBMLJJQE-UHFFFAOYSA-N 449.045 4.765 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Br)c(Cl)cc1OC)C(C)C 1443431699 VYICGZBCHFIZFY-KRWDZBQOSA-N 429.786 4.540 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1 1459025336 UGRPKWZPFCQCRY-UHFFFAOYSA-N 427.323 4.717 30 10 IJEE Cc1sc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)nc1-c1ccc(Cl)cc1 1462900564 HRBLZLNNKVWTAH-UHFFFAOYSA-N 438.361 4.776 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 1464445690 XTEAUZOBBZHVHL-UHFFFAOYSA-N 440.496 4.752 30 10 IJEE C#CCCN1CCC(NC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)CC)C3)CC1 1465397007 XDVCKDMCTIOFSI-HXUWFJFHSA-N 431.624 4.993 30 10 IJEE O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@H](O)c1ccc(C(F)(F)F)cc1 1467390544 CGERCZWQJCBCGG-OAHLLOKOSA-N 425.300 4.848 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 1468282259 FDHOOQWCZRNDNO-UHFFFAOYSA-N 441.019 4.640 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@@H](c2cccc(Cl)c2)C1 1473417383 BXLFACVBECWCPS-YADHBBJMSA-N 441.959 4.539 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CNC2(c3ccc(Cl)cc3)CC2)cc1 1473569118 HZVOSPJMPMOZHD-UHFFFAOYSA-N 448.954 4.845 30 10 IJEE Cc1cc(NC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)ncc1C#N 1476943343 ADLFOFONMCOSGA-UHFFFAOYSA-N 432.355 4.698 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2c(C)cccc21)[C@@H]1CCOc2ccc(Br)cc21 1477828394 NVMFBRYQZHZXHN-NHCUHLMSSA-N 439.353 4.913 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1nc2c(s1)CCCC2 1496339357 FWZUTPFWKSOWPS-ICSRJNTNSA-N 448.640 4.994 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccs1 1507570753 JANVKFZJFFPGQT-NRFANRHFSA-N 431.565 4.935 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507693576 CWYPTNSWJLPYPV-FPOVZHCZSA-N 448.533 4.900 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1507802413 ALLBSYOAHSCTAE-DENIHFKCSA-N 426.561 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(OC(C)(C)C)CC1 1507805324 JHKVGGGFFCMCGM-KNQAVFIVSA-N 444.645 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)[C@H](C)CC 1507819942 WZCRSLSMOSPCPR-IERDGZPVSA-N 435.410 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1Cc1cnn2ccccc12 1507823215 DIYHTKGJBVWARZ-UHFFFAOYSA-N 448.596 4.677 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H](C)CCSC 1507829085 QTXAOAKNLOOMCX-CQSZACIVSA-N 439.423 4.870 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CCCC2)CC1 1507833701 FVLIJEWOEAHTHW-UHFFFAOYSA-N 437.632 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)OC(C)(C)C1 1507911415 LOGVXFZWIACGHY-KRWDZBQOSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cc(C(C)(C)C)no1 1507973192 VIKGAACJPVZFBD-UHFFFAOYSA-N 448.340 4.803 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=C)Cl 1508027541 YJCZGFWLDZJZKZ-UHFFFAOYSA-N 439.947 4.728 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCOCC2(CCC2)C1 1508152935 UZOJEMKDRATFOV-NRFANRHFSA-N 426.630 4.746 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 1520377063 DZZCGDLDEYLVGZ-GOSISDBHSA-N 434.948 4.969 30 10 IJEE C=CCc1ccc(OC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c(OC)c1 1521159083 ZNKLCWPTJOQJEM-BTYIYWSLSA-N 434.319 4.856 30 10 IJEE C=C(C)[C@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccc(F)c(F)c1 1523652442 SAFROJRKKMXWSX-NRFANRHFSA-N 429.417 4.965 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)C[C@H](C)n3cc(Br)cn3)c2C#N)C1 1523678125 CBXGZNCENFTJSH-STQMWFEESA-N 435.391 4.929 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1528082010 SJOOBGYWSRNDPL-ZACQAIPSSA-N 438.243 4.942 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 1529431797 CVTMYNLQAFMOLQ-VQTJNVASSA-N 425.916 4.658 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1(c2ccc(F)cc2)CCOCC1 1535432988 KNULXVYLHWFQJG-UHFFFAOYSA-N 434.305 4.840 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1538970271 BPCQDGCRLCYOBV-YDHSSHFGSA-N 441.595 4.526 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](c1cccs1)N(C)C 1539196269 HSRPPJTWDZPEFS-SFHVURJKSA-N 446.045 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C1CC1)N(C)C 1539566284 FKJKRSAIFLJVAZ-WNCULLNHSA-N 449.643 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN(C(C)C)C1 1539651149 ANVXJGSKDHWMPS-KRWDZBQOSA-N 449.441 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N[C@H](C)c1ccccc1 1539667513 IWFQLHCNMBVDKB-IRLDBZIGSA-N 425.621 4.704 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539779650 CSZATQOKWAYHGB-QMTHXVAHSA-N 436.812 4.934 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1539811388 DFHFGNPRTCOZKJ-OAHLLOKOSA-N 449.049 4.789 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCSC2)C1 1539820793 QZRCNSWILUZPIE-FQEVSTJZSA-N 437.034 4.665 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cc(C)on2)CC1 1539882630 RHRIWZQRNSXFPE-UHFFFAOYSA-N 446.324 4.594 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCS1 1539945377 NNWXNXSOZNTTAI-RXVVDRJESA-N 428.602 4.869 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(F)(F)F)CC1 1539955227 SUESEMODCTWBQP-UHFFFAOYSA-N 436.478 4.851 30 10 IJEE C#CC[C@]1(C(=O)OCc2cc(Cl)ccc2OCC2CC2)CCCN1C(=O)OC(C)(C)C 1539979437 KSTRQNJLDXUUQT-XMMPIXPASA-N 447.959 4.965 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1540116538 VSXBCDDUWJQEAD-VQIMIIECSA-N 433.021 4.930 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)N2CCCCC2)C1 1540886379 BUUREHCHGSEZTG-QHCPKHFHSA-N 437.632 4.553 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)CCS1 1546114786 GPDXFWCFYFORNG-UHFFFAOYSA-N 438.626 4.628 30 10 IJEE C=CCn1c(S[C@H]([C@@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CCCC3 1559330800 QJCBRYDOSUCWFG-IAQYHMDHSA-N 430.517 4.582 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(Cl)cc(Br)c2OCC)cc1 1562063298 ZJRLLFSUCFISBC-UHFFFAOYSA-N 437.721 4.835 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 1565277775 XPSIPTFSMCXPEV-WOJBJXKFSA-N 439.522 4.916 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 1565727433 BOJBKYKELZNRHO-UHFFFAOYSA-N 426.561 4.568 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 1584170343 OZPIDRBJWASIDC-INIZCTEOSA-N 427.426 4.843 30 10 IJEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC1 1584573562 BFDAQHABOSFHTP-IFMALSPDSA-N 446.378 4.806 30 10 IJEE C=CCn1c(SCC(=O)N2CC(CC3CC3)C2)nnc1-c1ccc(Cl)cc1Cl 1585581533 MKOGKLVMDHGDSD-UHFFFAOYSA-N 437.396 4.789 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1587739116 RQGBKZMDAZTPBE-JOCHJYFZSA-N 434.540 4.838 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1587739117 RQGBKZMDAZTPBE-QFIPXVFZSA-N 434.540 4.838 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CCCC 1587915930 WEBWZOFIAJJFFM-PKTZIBPZSA-N 437.632 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1CCN(CC)CCC(F)(F)F 1589177151 DQPFFAGJVYSYBE-HSZRJFAPSA-N 447.549 4.774 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCSCC(C)C 1589242495 BREWLPWFODEAGF-XMMPIXPASA-N 426.630 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCc1nnc2n1CCCCC2 1589626628 ZNQMYPZXMSYAKX-UHFFFAOYSA-N 439.995 4.562 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCNC(=O)C(C)(C)C)CC1 1594064711 SAWHKZWUDJRLCZ-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1594617326 YDXFJEDLUCROOI-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(Cl)s1 1595009664 KKCZXHMEZMKXFF-HNNXBMFYSA-N 437.997 4.736 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCN(CC)C(C)C)C1CC1 1595034116 WNDJNGVNHUHQLR-UHFFFAOYSA-N 438.439 4.654 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CC[C@]2(C1)OCc1ccccc12)C(C)C 1595166404 STRJJWPDFMDCPE-RPLLCQBOSA-N 449.643 4.736 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCSC1(C)C 1595302852 FPMPOFHDBVNNET-SFHVURJKSA-N 435.037 4.693 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccco1 1595854933 SGNNQKCGKYNTAK-GOSISDBHSA-N 440.569 4.816 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1595879534 XDJQEAUEPUVJDP-QFIPXVFZSA-N 442.629 4.832 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H]3c3ccc(C(C)C)cc3)ccc2c1=O 1609998573 ZXZKNGMCJOFJSH-JOCHJYFZSA-N 433.577 4.972 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N3C[C@@H](O)C[C@@H]3c3ccccc3)c2)cc1 1622896394 DOAYFMVMZQXDAZ-UKILVPOCSA-N 427.504 4.671 30 10 IJEE C#C[C@H](NC(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3)c1ccc(Cl)cc1F 1623045440 PIWSTSRCRNDKDB-NSHDSACASA-N 439.802 4.906 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1623360338 VITSQYFAHYUNFP-BVAGGSTKSA-N 437.543 4.580 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc(OC)c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1623580361 RRFVBJAIMRSGKR-FQEVSTJZSA-N 429.435 4.965 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1626127192 BGEZYOZKTGZJFB-KBAYOESNSA-N 426.479 4.650 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc1 1626767039 AVEFVRZLMFAUQF-UHFFFAOYSA-N 441.531 4.973 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C)c1ccccc1 1627414304 ISEQKCHLBHFJCG-HSZRJFAPSA-N 446.572 4.825 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 1634541992 AZGBOJWNMAAELR-FQEVSTJZSA-N 429.561 4.524 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CC)Oc1ccccc1Cl 1635137287 GPSCGXXOWVTHCC-GDBMZVCRSA-N 431.360 4.650 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)CCCC1 1636902035 OXDDKRAIOPWTIX-JOCHJYFZSA-N 435.406 4.969 30 10 IJEE N#Cc1cccc(Oc2ccnc(N3CCc4c(Br)ccc(F)c4C3)n2)c1 1639757217 FLCRPYUIJUOSAL-UHFFFAOYSA-N 425.261 4.605 30 10 IJEE C=CCn1c(SCc2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccc(OC)cc1 1640638372 SLDRCJXQRPYTJS-UHFFFAOYSA-N 437.500 4.545 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN[C@@H](CO)c3cccc(F)c3)c2C#N)C1 1645007563 CQZLEBOBNKQZDB-JXFKEZNVSA-N 443.588 4.562 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)NC(=O)CC3)cc1OCC 1650730289 NUHJSNVUMNCAOR-UHFFFAOYSA-N 431.330 4.909 30 10 IJEE C=CCn1c(SCCc2cccc3c2OC(F)(F)O3)nnc1-c1ccc(OC)cc1 1651596531 DWUUFDCRBKDBSX-UHFFFAOYSA-N 431.464 4.796 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1 1655295805 SGQKEZYPGAYAAD-UHFFFAOYSA-N 427.522 4.640 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 1658766354 KIUQDRXTILKUCR-UHFFFAOYSA-N 425.598 4.820 30 10 IJEE C#CCN(Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCOc2ccc(Br)cc21 1659177494 JJRLTLDTDAZQKG-IBGZPJMESA-N 435.312 4.752 30 10 IJEE C#CCN(Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)[C@H]1CCc2ccccc21 1659182241 MOLCAAJXRWQYHS-QPPBQGQZSA-N 434.580 4.960 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)OC)c1ccc(C(C)(C)C)cc1 1659605044 ZTVIOEBYBLMUFA-FQEVSTJZSA-N 426.488 4.561 30 10 IJEE C=CCc1cc(CNCc2ccc(I)c(Cl)c2)cc(OC)c1O 1662313668 JUOULZLVLODWOJ-UHFFFAOYSA-N 443.712 4.677 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](Cc2nccs2)C1 1662577069 IDGZXFRIVBMWGK-AWEZNQCLSA-N 436.375 4.957 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 1666668246 CMBNXSCZTMTRFZ-NZQKXSOJSA-N 430.556 4.839 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccc(Cl)cc1F 1667767265 HDVGAPARMLFBLZ-QHCPKHFHSA-N 449.913 4.948 30 10 IJEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1669625711 AEPAFUWLGSMXNW-MSOLQXFVSA-N 448.958 4.524 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@]2(CC)Cc2ccccc2)cc1 1673393363 ODAMZZNGXGYRBH-XMMPIXPASA-N 441.597 4.512 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1)c1ccc(Br)cc1 1676805843 ZJINTTVPHDXXAT-QRWLVFNGSA-N 442.357 4.607 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc(OC)c1OC 1677641794 TUUZBUDDKIQRSZ-UHFFFAOYSA-N 433.552 4.839 30 10 IJEE C#C[C@@H](NC(=O)NCc1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 1677767365 SZPDSUJGRPGJRI-CQSZACIVSA-N 434.746 4.886 30 10 IJEE C#C[C@H](NC(=O)NCCc1coc(-c2ccc(C)cc2)n1)c1ccc(Br)cc1 1678220606 CWEHHNPPACCEHH-FQEVSTJZSA-N 438.325 4.629 30 10 IJEE C[C@@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H]1CCNC(=O)OC(C)(C)C 1679256768 FBOMTNZBYJCKEK-NRSPTQNISA-N 428.577 4.756 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4cc(C)cc(Br)c4C3)cc21 1680806441 YKLJSZULDNNAPC-UHFFFAOYSA-N 425.330 4.883 30 10 IJEE C#C[C@H](NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 1683497755 ILWRCSOUVSUKRM-DQEYMECFSA-N 433.571 4.832 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1)c1ccc(Cl)cc1F 1683517022 OLCPXRBJYUDRGM-NOZRDPDXSA-N 439.962 4.851 30 10 IJEE Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1683532764 GIDMPQMUHHHPEE-CLJLJLNGSA-N 430.596 4.809 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCC1)c1ccc(F)c(F)c1 1686173201 DJAJMHIZBSPFHF-WIYYLYMNSA-N 435.515 4.815 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(Br)cc1 1686919873 NPTHFEWYMLNQMO-YLJYHZDGSA-N 437.341 4.855 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCC(F)(F)C1 1689975463 XRPQIMZKIHMOIU-ZDUSSCGKSA-N 429.298 4.669 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCCS1 1690098169 YIKSWBLXGINKIB-HXUWFJFHSA-N 439.412 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@@H](C)C1 1690196457 LABDUUNOKKIMLQ-JIPXPUAJSA-N 433.644 4.967 30 10 IJEE C=C(Br)Cn1c(N(C)CCC(F)F)nnc1C1(c2ccccc2)CCC1 1690233734 PURRVOAWJPWXDN-UHFFFAOYSA-N 425.321 4.748 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1690287682 PDQQPUUAAMGMRV-PWRODBHTSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1690403000 YDPFVXODGRWUSI-PKOBYXMFSA-N 444.551 4.512 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1690413287 NKRWNCZQYPAOJH-GOSISDBHSA-N 438.597 4.809 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCN1CCC 1690516201 BJBJBJGBLGBNDK-LJQANCHMSA-N 432.410 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCC(C)CC1 1690518623 PUGKKGZZEHGQOW-OALUTQOASA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1CCCCN1CC 1690569637 KVTFZYMWFYXLQX-OAQYLSRUSA-N 434.563 4.546 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCc2c(Cl)cccc2C1 1690742274 LJOKCUOMBYPQEJ-UHFFFAOYSA-N 425.989 4.784 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(COc2ccccc2)CC1 1690742477 RYFGFEYUODSPSE-UHFFFAOYSA-N 449.624 4.863 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1693631068 DLJOGXVDENHJFW-LSTHTHJFSA-N 447.505 4.801 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@H](COC)C1 1705697738 XMTNFFHBQRGCLS-VCOUNFBDSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705701311 ANRYKMVCRFZPEV-PXNSSMCTSA-N 445.489 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1Br 1705705404 HEJBCXUSFSTOCT-RXVVDRJESA-N 445.405 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1cccnc1OC 1705711152 BTWBTBSGVJSCGO-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1CCOC1 1705789080 YFWJZCIVHOULEW-QGZVFWFLSA-N 433.394 4.843 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1705791431 WCNPZDJVEFBBAM-OAQYLSRUSA-N 449.599 4.694 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1705798200 MQMRWGPUZLPRHR-BVAGGSTKSA-N 438.616 4.915 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(F)(F)F 1705869743 COBKEJGHTQQSNL-UHFFFAOYSA-N 446.315 4.813 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1Cc1nc(C(C)C)cs1 1705877381 FJJMAKPGDQRHRQ-UHFFFAOYSA-N 445.596 4.598 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1 1705878936 GSDZQXMLPXZHNE-JOCHJYFZSA-N 433.581 4.931 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)CCCS2)C1 1705921538 UNOTYNXLDXYXNQ-KKSFZXQISA-N 436.984 4.805 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1706354307 AEKUBKQUOZYTTI-GGAORHGYSA-N 433.556 4.886 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCSC1)C1CCCC1 1710403513 AHQHQBHUHBBXKB-YADHBBJMSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722287113 MUHPLFVEORVEFR-XHSDSOJGSA-N 436.478 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCOc1cccc(Cl)c1 1722515838 ZRXNEBXIEUKCCO-UHFFFAOYSA-N 431.993 4.769 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(F)cc2Cl)CC1 1722567134 LWKQVFJNUHXPEJ-UHFFFAOYSA-N 431.968 4.825 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCOCC(F)F)CC1 1722568389 KHVPGIVJAZYEPV-UHFFFAOYSA-N 434.531 4.727 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCNc2ccccn2)CC1 1722569719 LIRBAGZGYPSKSH-UHFFFAOYSA-N 438.963 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1CSC 1722587363 LOQYQTFNBMVTDT-QGZVFWFLSA-N 430.618 4.896 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1)c1ccccc1 1722597551 UIACWQXGTOVLBU-GOTSBHOMSA-N 432.616 4.954 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722642736 NPWWWFCIZZXWGY-XXBNENTESA-N 442.604 4.719 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CC[C@H](OC)C(F)(F)F 1722660110 MCVVPTGIDOHICK-SFHVURJKSA-N 426.458 4.845 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC[C@H]1CCO[C@H](C)C1 1722660803 HDLBPVJDKVWVKC-RTWAWAEBSA-N 449.574 4.801 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1C 1722674194 OZEUYDAJNLBLIE-UHFFFAOYSA-N 444.583 4.633 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)C1CCCCC1 1722676558 DGKLUSBBIBLTES-DHLKQENFSA-N 442.604 4.679 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1722734299 BFBFVGYHQQHGFD-IRXDYDNUSA-N 425.627 4.743 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1728072500 CIZRDIRNNUOYPX-WZONZLPQSA-N 444.986 4.695 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCC1 1740532704 KWFDCSJECVKCKG-MOPGFXCFSA-N 444.023 4.631 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CC)CCC1 1740635702 MTCFMNDVXHBZKG-UHFFFAOYSA-N 425.374 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC[C@@H](OCC)C1CCCC1 1740729546 JHIJGDQUNKXTKP-ATIYNZHBSA-N 436.600 4.931 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740757704 RAEPFSHZFIPWMM-QLWBXOBMSA-N 442.579 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(CC)Cc1cccs1 1740763664 ODAFFBCKZATJTR-RXVVDRJESA-N 428.627 5.000 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCSC1 1740769587 ZHPFFWMLHQHPIE-QGZVFWFLSA-N 446.617 4.517 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CCN1CCCC(C)(C)C1 1740776973 INLXGRFOUINJDR-UHFFFAOYSA-N 429.584 4.521 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCOCC2)CC1 1740836200 RBJDUJDEIHBRDI-UHFFFAOYSA-N 437.407 4.598 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1740836811 NISQAYQDJWJNLE-NBGIEHNGSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c(F)cccc2OC(F)F)CC1 1740838483 QJKYHJUULLKMAT-LJQANCHMSA-N 436.478 4.711 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1740855130 LRFIHLROURDFES-WMTXJRDZSA-N 444.627 4.543 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1nccs1 1740884228 UEEXIAYJYXYVHH-INIZCTEOSA-N 443.642 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)cc1Cl 1740892564 IWGCBLRKCUFHRI-UHFFFAOYSA-N 438.732 4.693 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1CC 1740920691 TXODSKYZRALYME-RBUKOAKNSA-N 427.618 4.595 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1Cc1ncccc1C 1740936519 XTFISAWQIJKXFO-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1747781524 FEGCEIKJWWOCGB-UHFFFAOYSA-N 441.482 4.784 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 1749385208 OTGYVHRRTZRDOX-QFIPXVFZSA-N 437.632 4.531 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1749402109 JXBJUOLJQOAABB-HSZRJFAPSA-N 440.588 4.932 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCC1 1749449158 JMEFLMDMEWFVIQ-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CC1CCC(F)(F)CC1 1749550636 FQJVSWGICKMRAI-UHFFFAOYSA-N 430.528 4.815 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1Cc1c(C)nn(C)c1C 1749587102 IEIJFLVRYSKBIU-UHFFFAOYSA-N 444.583 4.734 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N(C)Cc1cc(Br)cs1 1749689563 LEEPVMPAOHBFOB-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C)CCC2)C1 1749695776 JDVUZTAWQMWRCT-CQSZACIVSA-N 437.407 4.741 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(Oc3ccccc3)nc2)C1 1749696159 AJYUKHQLNMYRNG-DENIHFKCSA-N 433.556 4.809 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCOC2(CCCCCC2)C1 1749750817 DIQLXTRVMJCCJP-UHFFFAOYSA-N 442.629 4.803 30 10 IJEE N#CCC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2CC2)CC1 1750388515 GWJNNQSONLRNSU-UHFFFAOYSA-N 432.341 4.777 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCC[C@@H](O)C1 1760101812 VMGIVOJVIJBVJM-HRCADAONSA-N 428.989 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ncc(CC)s1 1760104096 RSMZCNMJIJBIPH-LSDHHAIUSA-N 425.627 4.657 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1760151220 UVOUOSPCAJHZKS-IBGZPJMESA-N 444.352 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC1(COC)CCCC1 1760220171 CVHBWZZZZKHVFY-UHFFFAOYSA-N 439.003 4.582 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCc2cccnc21 1760220377 HKCJJWCGOWKOQS-JOCHJYFZSA-N 443.982 4.500 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCOC(C)C 1760291563 UEQCDKHMWUTFQR-AREMUKBSSA-N 448.567 4.924 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760351163 BDIZZCJGUJRWQG-GOTSBHOMSA-N 438.616 4.983 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2noc(CC)n2)CC1 1760384815 HQWAQZLQSGMXDT-UHFFFAOYSA-N 433.343 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1760410598 KJAAIVAMVSOAIO-HXUWFJFHSA-N 446.599 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1760415498 AQWODYFNCLWPBB-XMMPIXPASA-N 430.568 4.697 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760447764 QOKWVFDCQNXTRU-DOTOQJQBSA-N 436.398 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1760494271 LNDHAKNRBLERLW-GOSISDBHSA-N 441.539 4.681 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@H](F)C1 1771100748 ACGBZMIFBOJDRV-TZIWHRDSSA-N 437.519 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)COCc1ccccc1 1772523088 UTQLYEQMQDRGGS-KBMIEXCESA-N 449.986 4.839 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(NN=Cc3ccc(C)cc3)n2)cc1 1772721520 YGWKCBMYMKZVOX-UHFFFAOYSA-N 428.583 4.595 30 10 IJEE CCc1ccc2oc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)cc(=O)c2c1 1859750238 RJGXIAOIJSHJNX-UHFFFAOYSA-N 449.470 4.522 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860463524 DYFWAPHTRJIIAO-LBPRGKRZSA-N 440.912 4.502 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1OC 1860728558 PSHXPTDOQDPBOP-WEVVVXLNSA-N 432.314 4.776 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1862096104 APOLOZMIECMSGV-QFIPXVFZSA-N 430.552 4.637 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862391874 KFYMOPYXGPGSNA-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1862446188 MLOWEMQMXZBRFR-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479237 BOHXJBGGCOHDNF-QHCPKHFHSA-N 443.547 4.837 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862483022 YLZCUXPBKBCHPC-IBGZPJMESA-N 434.319 4.917 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862555453 FCQFYJOGLYSSAJ-HSZRJFAPSA-N 430.479 4.619 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591309 GITOBPATTXVVGI-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)OCCO2 1862605940 GYIOBFHYMWDPNL-JOCHJYFZSA-N 437.467 4.508 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2F)cc1 1862662197 UUXIQPRVKGXUNZ-QFIPXVFZSA-N 442.506 4.618 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862703594 JSWZUGKMQYPEQK-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2c[nH]c3ccccc23)C1=O 1863121236 DELKVCBIBUVCHQ-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3F)C2=O)ccc1F 1863462965 UTPAXLHZNUXXLK-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)c1ccccc1 1868638111 YEHPSJYXWVZMQF-RUZDIDTESA-N 443.547 4.559 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCCC)CCCCCC)nn1C 1870058164 ABDRALSHEVYZLE-UHFFFAOYSA-N 443.592 4.584 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2Cc2ccc(C)cc2)c2ccccc2)cc1 1870106378 JXMLCHNSDQAFCN-JLPGSUDCSA-N 449.514 4.694 30 10 IJEE COc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1 1870141002 UXNKHXCCJPRHKX-CXUHLZMHSA-N 437.459 4.592 30 10 IJEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)COc2cc(Cl)ccc2Cl)cc1 1870146012 ABFHGFQPIIRKHI-UHFFFAOYSA-N 444.322 4.761 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN1CCCCCC1 1870326181 FNIHIFPIQHTHMM-UHFFFAOYSA-N 438.568 4.555 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871252387 YLSPLRAISAYHDN-UHFFFAOYSA-N 441.535 4.833 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3C2=O)c1 1871371342 UVJHDELBMWOUIR-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 1871432446 CIQOWRGCGYHCKP-BJLUOBIUSA-N 438.476 4.508 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450617 KMYAJTRBRQCZHY-ZDXHCBJDSA-N 448.406 4.756 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2C[C@H](C)O[C@@H](C)C2)n1 1871515665 GIQTVXMBWPYENF-ROUUACIJSA-N 430.572 4.562 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701334 JLUPAYKCRCJEAN-UHFFFAOYSA-N 438.624 4.734 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1cccs1 1871907822 LFAAGXKHVHHUHF-IBGZPJMESA-N 436.599 4.521 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C)S(=O)(=O)CC 1872112890 PHQYQNRQVMMJBK-INIZCTEOSA-N 440.915 4.550 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCCCCCC)cc1)[C@H](C)CC)S(C)(=O)=O 1872175265 SFIUEYZTRHCRGK-KNQAVFIVSA-N 438.634 4.837 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2cccnc2)C1=O 1873078399 FRFOYRFTFBROCL-UHFFFAOYSA-N 449.595 4.807 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC(C)CC3)ncnc2n1Cc1ccccc1 1873553542 BRUHYQRXFTXYHB-UHFFFAOYSA-N 429.568 4.530 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCCCCN3CCCC3)ncnc21 1873634458 KSUQFZRPHMZHRL-UHFFFAOYSA-N 446.599 4.774 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666298 MPXRGVINKDKQGU-HDICACEKSA-N 433.556 4.751 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccn1 1874216357 RFSPYHJVZPPZHO-ZVHZXABRSA-N 427.961 4.889 30 10 IJEE CCOc1ccc(OCc2nnc(SCC)n2/N=C/c2cn(C)c3ccccc23)cc1 1874235561 PGRHNDALFJDEPL-ZVHZXABRSA-N 435.553 4.742 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cccs1 1874459823 GIVJZFAZBZYPSO-LSFURLLWSA-N 439.488 4.588 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1ccccc1CC 1874522479 VXPPNWJPUBMNKX-PCLIKHOPSA-N 449.580 4.581 30 10 IJEE CCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccc2ccccc12 1874527735 CQBHBIHBMWSZNG-PMFZIYJTSA-N 443.576 4.845 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccco2)c1 1874572322 HKXKJFYNCKLDPL-VQHVLOKHSA-N 425.868 4.533 30 10 IJEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCO3)c1C 1874583073 VMNXZIYHFHIUIU-ZRDIBKRKSA-N 429.472 4.946 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccc(C)cc1 1874707802 XSXMHLIDCJEDIN-JXMROGBWSA-N 430.456 4.777 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1cccc(OC(=O)c2cnccn2)c1 1874711845 JVTLDAKYPMZTEQ-AATRIKPKSA-N 429.259 4.907 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(=O)CC 1875116330 WISSCHKLFWJTOO-BJMVGYQFSA-N 448.269 4.968 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1F 1875152920 VPSSSSLOURUXAI-WLRTZDKTSA-N 434.419 4.875 30 10 IJEE O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1nc(-c2ccc(F)cc2F)cs1 1891610638 IYFZYVJSVPTOAK-UHFFFAOYSA-N 436.308 4.801 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cccc3ccccc23)[C@H]1c1ccc(C#N)cc1 1892020583 LNUTZKPIKPNEJY-RPWUZVMVSA-N 429.545 4.744 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 1922067599 CLILIZMMPMVVFO-HJOGWXRNSA-N 448.648 4.676 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1943877589 OHXGDVQZGSWTFZ-WZONZLPQSA-N 437.581 4.522 30 10 IJEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1945793907 DWFVGWVAMYEQPS-LPHOPBHVSA-N 433.549 4.880 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 1947964543 XFBPYBWXVNXCDV-QMHKHESXSA-N 431.533 4.728 30 10 IJEE CC[C@H]1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1975987054 YKCWIKXGVBXOCX-LIRRHRJNSA-N 435.487 4.858 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Cc2c(Br)cccc2Br)C1 1980243292 CIVLMWOPAVLWTB-KRWDZBQOSA-N 444.167 4.905 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCC1 1984694834 LEVKNQQOHCAAEB-XMMPIXPASA-N 445.563 4.892 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1(C)C 2014810535 XPXCJBWLFBTAKS-OAQYLSRUSA-N 436.557 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 2038658899 RORHUJVKNWSSQA-XTEPFMGCSA-N 434.624 4.687 30 10 IJEE CCOc1c(Br)cc(C=CC(=O)c2cccc(N3CCCC3=O)c2)cc1OC 2040483413 VENMOVFVHYHWDQ-UHFFFAOYSA-N 444.325 4.879 30 10 IJEE N#Cc1ccc(N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c(Br)c1 2044066703 REJVBZHKRDNRLZ-JRGCBEDISA-N 440.341 4.922 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2110503405 JVBOXSUWFURNCU-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1c(F)ccc(NC(=O)OC(C)(C)C)c1F 2124463058 LWISTGYMKCBAPZ-UHFFFAOYSA-N 431.277 4.849 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2145542239 USJHLPUUMPWOBJ-LSDHHAIUSA-N 441.414 4.643 30 10 IJEE N#C[C@@]1(Nc2cccc(Br)c2)CN(Cc2ccccc2)C2(CCOCC2)C1 2156320190 OJCZLHOKBAGMDD-OAQYLSRUSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(C#N)cc2Br)cc1 2162419192 CLCIAOUTCOLKTJ-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2163695414 JUVONVRKIQVUFJ-QFIPXVFZSA-N 428.349 4.952 30 10 IJEE CC(C)(C)OC(=O)N1CC(C2CCN(c3ccc(C#N)c(Br)c3F)CC2)C1 2176946103 QAIUHPDOAGRLOQ-UHFFFAOYSA-N 438.341 4.543 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(F)c(Br)c2)NCC)C1 2183007938 JUARTKOERAPBAM-GOSISDBHSA-N 441.385 4.970 30 10 IJEE N#Cc1ccc(O[C@@]2(C(=O)O)CCCC[C@@H]2OCc2ccccc2)c(Br)c1 2197254081 QFOHDJCLSMQDKD-FPOVZHCZSA-N 430.298 4.682 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1ccc(Br)cc1C#N 2226202455 RGRKZRRSVIDQFD-CQSZACIVSA-N 430.293 4.767 30 10 IJEE N[C@@H](C#Cc1cccc(Cl)c1)c1cc(Br)ccc1I 2230993028 PHECZCDRDYNIIJ-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)C1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 2250186633 CEFQLADIAJZFAR-YZDHWTPESA-N 427.585 4.840 30 10 IJEE C[C@H](CC(=O)NCC=CB1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2268645949 HFSXDRORAQMNNI-QGZVFWFLSA-N 444.381 4.831 30 10 IJEE C=CCC1([C@H](NC)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2272898786 ZULNFHYSKKZANX-MRXNPFEDSA-N 431.321 4.801 30 10 IJEE CC1(C)OB(c2cc(N[C@H]3CN(Cc4ccccc4)C4(CCCC4)C3)ccc2N)OC1(C)C 2283011723 JFTRALAIDSDZJR-JOCHJYFZSA-N 447.432 4.567 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@](C)(NC(=O)OC(C)(C)C)C1CCC1 2296224321 IUHFNEQASBYBOY-DENIHFKCSA-N 435.406 4.862 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 2296576841 NAGQHJUKYSFJON-JOCHJYFZSA-N 432.476 4.707 30 10 IJEE C=CCN=CC1=C(Sc2ccccc2)C2=C(CC1)[C@@H](C(=O)OCC)[C@@H](NC(C)=O)S2 2297499050 YHDZICAALBNHPU-KNQAVFIVSA-N 442.606 4.726 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C12CCC2 2306530442 XDYOCJMXXMZRSA-NBGIEHNGSA-N 428.573 4.603 30 10 IJEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(Cc2ccc(F)cc2)CO1 2322051984 XHAGUABPLQPUKR-UHFFFAOYSA-N 431.419 4.523 30 10 IJEE COC(=O)COc1c(OC)ccc(C=CC(=O)c2cccc(Cl)c2)c1Br 2323120179 CICRMLVGUJLREU-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329421936 PCYRMAWGHCNEMJ-UHFFFAOYSA-N 437.525 4.650 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 2330530864 DVEQGWSELQMREE-UHFFFAOYSA-N 449.561 4.628 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 2330707419 PAYHYQQWWQJIHP-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)c1 2330777272 YDMSPEMAEISCGD-UHFFFAOYSA-N 442.467 4.957 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2[C@@H]2CCCO2)c1 2331005396 JPPCAOXTWFHYLZ-NRFANRHFSA-N 449.580 4.668 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccccc2Cl)o1 2331695738 KGEPJABJJJTISU-UHFFFAOYSA-N 432.933 4.999 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1Cl 2332188429 LQHWALVNPBTFMX-UHFFFAOYSA-N 448.697 4.760 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339593514 HGGQZVLYTLDXHE-UBJZUDALSA-N 443.397 4.832 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339594771 ZJKLVQPSJPBJSX-UHFFFAOYSA-N 444.381 4.895 30 10 IJEE CC[C@H](NCC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839639 WBRDCLCCPLCFDE-BVAGGSTKSA-N 448.460 4.939 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)nc2)OC1(C)C 2365110625 SSKBSNGRANZBEK-IWXAKQBESA-N 445.416 4.685 30 10 IJEE Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCc3ccc(C#N)cc3)n2n1 2969699 SBWOEOOLBQXSHP-UHFFFAOYSA-N 439.548 4.567 30 10 IJEE COc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)c1c(OC)cccc1OC)C2=O 8823881 AYDUIPWULRVRPR-XKZIYDEJSA-N 432.428 4.548 30 10 IJEE C=CCOc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1 9925711 BWEBZSCJSRVOIB-MRXNPFEDSA-N 432.314 4.824 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2 13644072 MTMNOVHODMEYGC-ZEVJAHDQSA-N 449.620 4.942 30 10 IJEE COC(=O)c1ccc(NC(=O)CSc2nc3c(cc2C#N)C[C@H](C(C)(C)C)CC3)cc1 20467863 VLPAKPIDOOOXMF-GOSISDBHSA-N 437.565 4.622 30 10 IJEE Cc1ccc(CN/C=C2/C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 20575711 DVSBTFIHNVMIKN-STZFKDTASA-N 438.574 4.529 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 21355873 DZZHUBUAHBYLFD-HSZRJFAPSA-N 437.515 4.798 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(N/N=C/c3cccc(Cl)c3)n2)c1 33960135 RLZXRZGYXGMGET-LPYMAVHISA-N 449.001 4.940 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)c1 41287609 MZVPIROKGHPREP-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)no1 59466300 VWGYZYBOBNVLNQ-AWQFTUOYSA-N 426.281 4.547 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)S/C(=C\c2cc(OC)cc(OC)c2)C1=O 103170137 JXUBZDNWDADAAY-WQRHYEAKSA-N 445.924 4.901 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)cc2)cc1 169962020 CQJJMXJLVVIHAY-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccc(C)c1 169973029 QOZWQHPYCFIZIE-QFIPXVFZSA-N 439.471 4.663 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccs2)c1 169989122 RQWCROOJXDPRDG-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccnc3)nc2c1 170014395 FXOCKLXHEONCIN-HXUWFJFHSA-N 444.878 4.703 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)c1 170047540 IGKBJGXBXHHURB-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccc(F)cc2)c1 170060486 KNLUXCZORWJEAW-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(F)cc2)c1 170060519 NKCGTEGKQVBDNX-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170076079 GOCSIBVKJPJGDL-IIBYNOLFSA-N 436.895 4.579 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccs2)ccc1OC(C)C 170155115 AKJKMBPQEAWTHQ-OAQYLSRUSA-N 443.565 4.847 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccn1)c1cccc(Cl)c1 170176939 MABWYPANBLTREW-IBGZPJMESA-N 426.806 4.796 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)c1 170204002 RBXPIXJHWFGTSN-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)ccc1OC 170439394 AXTFXVIFBZXZFW-JOCHJYFZSA-N 445.462 4.887 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(N(C)C)cc1 170445721 GOEPMQGOKJLIHS-IBGZPJMESA-N 432.442 4.897 30 10 IJEE CC#CCOc1ccc2c(c1)c(CN1CCC(O)CC1)cn2Cc1ccc(Cl)s1 248167120 OZNVIJYSUJQXSK-UHFFFAOYSA-N 428.985 4.763 30 10 IJEE CCc1ccc(NC(=S)NN=C2C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1 254740861 KKBUUTBXUBGXTB-UHFFFAOYSA-N 428.561 4.795 30 10 IJEE Cc1cccc(C)c1NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc21 254858295 MCTKSJISFVIJBR-UHFFFAOYSA-N 432.524 4.680 30 10 IJEE N#Cc1cc(F)c(CNc2cc(I)ccc2Br)c(F)c1 312789878 PHAJQLPOIMEWGX-UHFFFAOYSA-N 449.036 4.816 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c1 436342859 IRCQXWQURBEDHX-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)c1ccc(F)c(F)c1 478916997 IFKOUKFHLIUJGS-FZKQIMNGSA-N 425.401 4.621 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)nnc1-c1ccc(C)cc1 481356303 BBLWMPYSFAUQAG-QZTJIDSGSA-N 436.581 4.806 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CC(c3ccccc3)C2)cc1Cl 484184766 DICDQWZQKLSLHX-POOLCLQXSA-N 443.934 4.996 30 10 IJEE C=CCn1c(SCc2nc(-c3ncc[nH]3)no2)nnc1-c1ccc(Cl)cc1Cl 508057242 JOHHDRRKAZVJOK-UHFFFAOYSA-N 434.312 4.503 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(=O)N(CC)CC)CC1 508490700 QTLSOWDTAXFQCG-UHFFFAOYSA-N 441.645 4.546 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCC)c([N+](=O)[O-])c1 526825260 PSUNMTCUPUQNBR-QRVIBDJDSA-N 443.504 4.851 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2cccc(OCC(C)C)c2)o1 526829838 CBMCVDVKFVKNLB-FMCGGJTJSA-N 442.541 4.566 30 10 IJEE N#Cc1cccc(CC(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)c1 530919395 WCXOBNVYYINQBK-UHFFFAOYSA-N 438.300 4.626 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc(OC)c1OC 590864567 PZDQVERXQYUEFO-IBGZPJMESA-N 449.595 4.558 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C(C)C)cc1 733198279 UMQZHLWHDVNDFV-QFIPXVFZSA-N 449.576 4.802 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 737840748 BVCXKWPIFQLUJT-IBGZPJMESA-N 434.540 4.679 30 10 IJEE N#Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 748276974 XYNRFEUCBGJCIY-UHFFFAOYSA-N 441.418 4.818 30 10 IJEE C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C 774257466 QERLIQBYESBTOP-FPOVZHCZSA-N 443.519 4.658 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)n1 788597793 AKFDNZOYOXYQMN-NRFANRHFSA-N 446.551 4.645 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H]3CC[C@@H]3C)C2=O)cc1 795177083 LBAYNGOIGDYCNV-JHVJFLLYSA-N 435.549 4.648 30 10 IJEE CCCCCCCCCNC(=O)N1CCC(O)(c2scnc2Br)CC1 797412035 AGMJHCARYJJNQE-UHFFFAOYSA-N 432.428 4.649 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC[C@H](C)F)c1 814708662 QONWWLSIVCNWOE-MGPUTAFESA-N 441.503 4.515 30 10 IJEE C=CCC1(c2nc(-c3cc(Br)cc(Br)c3)no2)CCOCC1 904915181 VWDCURNADFPSLX-UHFFFAOYSA-N 428.124 4.886 30 10 IJEE CCOc1ccc(C=NNc2nc(SCc3cccc(Br)c3)n[nH]2)cc1 1084096910 GFAPITYWARCEPV-UHFFFAOYSA-N 432.347 4.704 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Br)c1COC 1136539341 XPWSUMUSOPTXQK-OAHLLOKOSA-N 447.757 4.570 30 10 IJEE CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)CNc3ccc(C#N)cn3)cc2)CC1 1143640889 DBQFDPSVQUEXEY-UHFFFAOYSA-N 447.583 4.617 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Br)cc2[nH]1 1148232394 HEKHRZIRBMOBKE-CQSZACIVSA-N 437.338 4.514 30 10 IJEE CC#CCCNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1152688296 DMNCSSCEIWBVQF-UHFFFAOYSA-N 431.483 4.725 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1156783726 VZHWZDZMOSORJG-FQEVSTJZSA-N 440.609 4.933 30 10 IJEE C=CCC1(C(=O)N2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCCC1 1161787690 YZIGXIFNBHNHIE-LEWJYISDSA-N 434.621 4.824 30 10 IJEE CC(C)CCn1c(=O)c2ccccc2n2c(SCc3ccc(C#N)cc3Cl)nnc12 1164475269 FEUDGKNJGMCMTG-UHFFFAOYSA-N 437.956 4.908 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(CC)[C@@H](c2ccccc2)c2ccc(F)cc2)c1 1192006698 QOQQWDNUNOKQHF-VWLOTQADSA-N 429.495 4.567 30 10 IJEE C=CCOc1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1 1210161629 UUUXORWXVMDSMO-IBGZPJMESA-N 438.929 4.620 30 10 IJEE COc1cccc(-n2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)nn2)c1 1264530256 DGPSCKLZVCRAIW-NRFANRHFSA-N 443.894 4.837 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NCCc2ccc(Br)cc2)cc1 1265118448 HHZXUYPESAMIQF-UHFFFAOYSA-N 435.321 4.872 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286317951 QQYGIJFCJVSNNJ-RTWAWAEBSA-N 448.567 4.924 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCC1(C)C 1286403951 MYXULMIBKZYMCZ-MRXNPFEDSA-N 443.364 4.746 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(C)CCOCC1 1286437489 OFSJKFNQHWAHGA-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[C@H](OCC)C1CCCC1 1286526032 VDCWRRAVZKBUSN-XUZZJYLKSA-N 426.630 4.908 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](C)c1ncc(C)s1 1286528522 DSXOTMNEXFSXFC-WAIKUNEKSA-N 439.560 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC[C@H](OC)C(F)(F)F 1286582762 COZHQYMOAGLRPL-IBGZPJMESA-N 435.494 4.651 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nc(C)cs2)CC1 1286655922 LMIXVLNDWZAEDP-INIZCTEOSA-N 427.549 4.773 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286668955 XUVOJDLZXCCJSZ-UHFFFAOYSA-N 448.615 4.728 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1CN1CCCCC1 1286719345 GSMSWKCDIQQIDW-UHFFFAOYSA-N 436.991 4.650 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1OC 1286740191 DXELSMYQBZDNRW-XUZZJYLKSA-N 447.583 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CC12CCOCC2 1286753491 DKPJBILCBJLKRS-QGZVFWFLSA-N 443.389 4.703 30 10 IJEE CC(F)(F)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(CCC#N)CC1CC1 1288746814 GYSZHWVHMJGREA-UHFFFAOYSA-N 426.471 4.775 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1sccc1C 1300608933 HHOPJQBZDNGVAJ-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cscc1C(F)(F)F 1300789412 LKVFMBLLMVXSNC-OAQYLSRUSA-N 441.482 4.937 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1300948966 KFWAYBJWLGKKMM-RBUKOAKNSA-N 437.371 4.981 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1300980890 XHYIQOSSSPPHKC-OAQYLSRUSA-N 449.599 4.540 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1301119832 YCRNWSVMNTXXPR-UHFFFAOYSA-N 425.577 4.652 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1301145972 NOXGQAGAUQVUAI-OAQYLSRUSA-N 435.572 4.680 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301195111 UVBUEFIWPTYOLI-JOCHJYFZSA-N 448.615 4.948 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2cccs2)C1 1301538905 MDRXAWGVKJMLLP-YLJYHZDGSA-N 442.560 4.643 30 10 IJEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1304887417 DCSHZTIUFUVJSY-SFHVURJKSA-N 448.571 4.787 30 10 IJEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)o1 1306003096 DGIZQGGEFQTPQI-KRWDZBQOSA-N 444.461 4.503 30 10 IJEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1306340277 BBORNWOTTTVRKY-PKOBYXMFSA-N 429.515 4.791 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN([C@H](CC)c3ccccc3)CC2)cc1 1310196753 VNRJFPSUWWCHQA-RUZDIDTESA-N 446.595 4.802 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCCN(Cc4ccc(F)cc4Cl)C3)cc21 1311252599 RCMIOYJHLNJQBL-HXUWFJFHSA-N 441.938 4.801 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(I)c(F)cc1F 1351693178 KMXKMRKBFBWEFP-UHFFFAOYSA-N 430.188 4.526 30 10 IJEE C=CC[C@]1(C(=O)NCc2cc(Cl)ccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1354339301 PGERVXGQPXAYIW-OAQYLSRUSA-N 444.906 4.903 30 10 IJEE C#CC[C@@]1(C(=O)O[C@@H]2CCc3c(OCC4CC4)cccc32)CCCN1C(=O)OC(C)(C)C 1356457962 KXLSKUYZHXNYCA-GJZUVCINSA-N 439.552 4.799 30 10 IJEE COC(=O)C1(N(C)C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCCCC1 1358367973 CLCXFEVTEFNTHT-UHFFFAOYSA-N 426.900 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1358877486 FSMJCZBLPFIOMS-BBRMVZONSA-N 435.316 4.601 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1358972180 WWSOREAYYOUNGV-TZIWHRDSSA-N 439.003 4.901 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCCC1(F)F 1359019258 OUUTXVUXJRNLGK-NHCUHLMSSA-N 430.543 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccc(CN(CC)CC)cc1 1359069524 NYAHVIVKNMGDBG-HHHXNRCGSA-N 442.611 4.531 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1359084427 HHXILYSFTOCANM-HXUWFJFHSA-N 442.405 4.716 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(CC#N)CC1 1359102986 IFEDONCXCSLHQB-WIOPSUGQSA-N 449.599 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1359112863 UQOSIMCBKLJXPZ-DEOSSOPVSA-N 437.632 4.720 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1359165970 AVYQANIXAWUDDK-AVRDEDQJSA-N 430.543 4.899 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(O)(CCC)CCC)CC1 1359168314 PCLYSBHKDBXBJB-UHFFFAOYSA-N 426.605 4.962 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](C)C1)c1ccccc1 1359193548 FYSFHDYGOTWEAE-UNMCSNQZSA-N 444.583 4.912 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359208337 KDIYUDVIMYMZPK-TZIWHRDSSA-N 438.551 4.870 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCCC(C)C)CC1 1359211848 QOEQUBPLADMCBY-UHFFFAOYSA-N 426.561 4.672 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(OC)C1CC1)C1CC1 1359247737 NICZGZHFLFVHLS-LJQANCHMSA-N 437.407 4.739 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCc3ccc(O)cc3C2)nnc1C(C)(C)C)C(C)C 1359265837 MVXAJIXUESDJEF-QHCPKHFHSA-N 437.632 4.543 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccoc1 1359926140 DNWTTXRYYOSZAL-UHFFFAOYSA-N 429.528 4.743 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCc2ccccc21 1360469661 GBRHBEJJFYQGTD-GDBMZVCRSA-N 439.361 4.504 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)c1cccnc1-n1cc(Br)cn1 1435107872 HQHJFAHWYCNPKU-CYBMUJFWSA-N 442.342 4.534 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C(=O)OCC)C2CCCCCC2)s1 1437218965 ZGOPFZLSAQTLIO-SFHVURJKSA-N 445.050 4.857 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 1440890819 CEJYZODSFGKADB-NRFANRHFSA-N 427.504 4.698 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCCSCc3cccc4ccccc34)n[nH]2)c1C 1442229850 BBELVPDGGKKLOR-UHFFFAOYSA-N 445.592 4.892 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1nn(-c2ccccc2F)cc1O 1443640432 GPTJGUATJAHAKZ-UHFFFAOYSA-N 444.441 4.883 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)c1ccc(F)c(F)c1 1447968823 GKBNNGMYSHISNH-QGZVFWFLSA-N 425.357 4.630 30 10 IJEE C=CC1(CC(=O)Nc2ccc3cc(OC)c(OC)cc3c2)CN(C(=O)OC(C)(C)C)C1 1453774116 TXEJNPJQUBWPHE-UHFFFAOYSA-N 426.513 4.609 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)c(C)c2c1 1454239438 IMLUUJSOTFDYQQ-UHFFFAOYSA-N 429.520 4.851 30 10 IJEE C=CCCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OC 1455832014 FNOQHLGVBJIGSO-INIZCTEOSA-N 427.353 4.674 30 10 IJEE C=C1CCC(C(=O)N2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1456427459 YIKKELUDIUULBC-UHFFFAOYSA-N 440.584 4.924 30 10 IJEE C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cc(Cl)ccc1OC(F)F 1466610341 ARSHLMSXCALXHR-ZDUSSCGKSA-N 435.858 4.799 30 10 IJEE CSc1ccc([C@H](CNC(=O)NCC(C)(C)CC#N)N2CCc3sccc3C2)cc1 1467780878 IDHSVMWKVDCHSG-FQEVSTJZSA-N 442.654 4.808 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)c(Cl)c1 1472191790 MBZGORQQQBSZHI-UHFFFAOYSA-N 445.935 4.842 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(CC#N)cc2Cl)c1 1474923277 OHZYFRVUXKFSGI-UHFFFAOYSA-N 426.950 4.844 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(OC(F)(F)F)ccc2Br)cc1 1477146346 QXWOOGNHMDJCKT-UHFFFAOYSA-N 443.219 4.681 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1)c1ccc(F)cc1 1478894278 WNSYXHYFZCKZCC-QFIPXVFZSA-N 444.510 4.555 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1507563567 YFGYYSDWHVCKBD-UPVQGACJSA-N 449.643 4.846 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC(C)CC1 1507608985 OPWSFQVDLKRRGC-UHFFFAOYSA-N 437.588 4.614 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1507745946 GZNMFVBHYXRJQW-GOSISDBHSA-N 430.593 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCC[C@H]1C 1507761099 DMUVZVQBRRWVNZ-NTKDMRAZSA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N(CC)CC 1507763403 BWOOQEGSXOOHSJ-WDZJFXIESA-N 437.632 4.757 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN(C)[C@H](C)CC)CC1 1507882501 USFAOLSZHKXJTH-IRLDBZIGSA-N 425.621 4.922 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNc2ccccn2)CC1 1507887403 CXJGWVQNFXTLAA-UHFFFAOYSA-N 432.572 4.528 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nc(C(C)(C)C)cs1 1507978635 QHLXUDNLVXGZMQ-UHFFFAOYSA-N 433.585 4.555 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnccc1OC)C1CC1 1507989133 YMSXOLPDBYCRFI-LJQANCHMSA-N 433.556 4.642 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1508011547 SVSICOGMTBRSLC-GMAHTHKFSA-N 438.664 4.855 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCSC1 1508020632 NYRLQPJVTYEPGY-MOPGFXCFSA-N 447.649 4.672 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 1526516913 SVXRCRVHMGJPGW-UHFFFAOYSA-N 433.386 4.963 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nnn(-c2cccc(C)c2)c1C 1527807073 JDIGGCXKIKNGAB-UHFFFAOYSA-N 443.320 4.614 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccc(Cl)cc1F 1528110093 WPJCPAXVEFSUPT-AZUAARDMSA-N 446.906 4.544 30 10 IJEE Cc1nc(SCC(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)c(C#N)c(C)c1C 1529290796 CXBHBMFQJWHFBC-UHFFFAOYSA-N 439.928 4.845 30 10 IJEE C#CCCN(CCOC)C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 1533858946 HVTAVHWZSBUPND-CAPFRKAQSA-N 434.561 4.734 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C(C)C)C1 1539079195 PGZDXRIRTBLGEO-XMMPIXPASA-N 438.616 4.954 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1539097828 XMFRQRYGDXBYMI-QFIPXVFZSA-N 442.991 4.566 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]1C1CCC1 1539104860 QWMIHWSHFKTJJS-IBGZPJMESA-N 443.389 4.899 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CC)C1 1539801671 FYRWKQUEIMLFPS-MSOLQXFVSA-N 438.016 4.772 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1539824451 UFURKYCWMDXZEU-QWHCGFSZSA-N 447.914 4.741 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CCCN1C(=O)OC(C)(C)C 1540459685 SIUZMNVAGQHWFH-RUZDIDTESA-N 429.605 4.837 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCCC2)C1 1540887207 RUOCIMJOONDLBC-QGZVFWFLSA-N 449.368 4.818 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@](C)(OC)CC1 1540912064 LKIHXPWZQPFKTG-XMMPIXPASA-N 437.613 4.808 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C=O)o3)cc2O)cc1 1542326421 CYLATIDHRBJLGX-UHFFFAOYSA-N 430.460 4.531 30 10 IJEE Cc1ccc(OC[C@@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 1542396006 AKPFBCBVAHVBCL-GOSISDBHSA-N 425.960 4.710 30 10 IJEE C=CCCC(C)(C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1557638227 VLGWDXVHHYYNMD-UHFFFAOYSA-N 430.570 4.669 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)OC 1558383416 TZYXWPAHBCPMBO-HXUWFJFHSA-N 438.528 4.517 30 10 IJEE CC[C@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(Br)cc2C#N)CC1 1559538956 IBJKLNZIRMPEJW-OAQYLSRUSA-N 434.328 4.868 30 10 IJEE C=CCCN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1562128844 OPEAIEFXAGORPL-UHFFFAOYSA-N 445.585 4.858 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 1562928439 HSKDOUZAVZOBMH-UHFFFAOYSA-N 446.389 4.918 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1ccc(Br)cc1 1569673724 MOTVMMPFXYEVIE-QFIPXVFZSA-N 437.337 4.970 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)CN(C(=O)OC(C)(C)C)C1 1585395328 IOKWKLKQCMGTCT-MRXNPFEDSA-N 428.529 4.740 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccccc2Sc2ccc(S(=O)(=O)CC)cc2)C1 1585881616 DVEJNHAYMHDMOG-SFHVURJKSA-N 427.591 4.507 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCC1(C)C 1587620849 LSDNLKGHZJQHPT-OALUTQOASA-N 446.599 4.520 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(CCOC)CCCCC1 1588015595 AFVJVAQNPUHSMP-UHFFFAOYSA-N 430.980 4.567 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CCCC 1589304263 DGPBPPRANDTUBV-UHFFFAOYSA-N 445.203 4.581 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCO[C@H]1C 1589600251 YVWJNIGOFNVIJI-OYHNWAKOSA-N 447.004 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCN(C2CC2)CC1 1589615395 PYVUMWPWSPYOJC-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1589722087 QKBXNUNYXYIYDY-MRXNPFEDSA-N 442.361 4.614 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1594431143 XWCYRBLSBJDNLG-OPVJXMOQSA-N 428.552 4.602 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cccs2)CC1 1594698636 UQVFQZQBSNIYEY-UHFFFAOYSA-N 428.005 4.948 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(CC)C1 1594727208 LUCPXOHPGKYUBQ-DVECYGJZSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1594775351 SDHPUXZAHKPSIP-YTFSRNRJSA-N 438.616 4.611 30 10 IJEE C=CCOc1ccccc1CNc1ncnc2c1cnn2-c1cccc(Br)c1 1611990005 BMFOBTPNCXNKSJ-UHFFFAOYSA-N 436.313 4.755 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](Cc1ccccc1)C(C)=O 1613299634 YSSDTRZOXXVYFE-FQEVSTJZSA-N 427.957 4.989 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 1617266289 RNDQXLMHGTZHBC-VSKRKVRLSA-N 434.621 4.776 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)C1 1617488831 AZZSQXRAISZAAX-CTNGQTDRSA-N 425.602 4.639 30 10 IJEE COC(C)(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C#N)CC1 1618907748 FTGBFDZGUZDBCU-UHFFFAOYSA-N 429.977 4.978 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)CC2)c(Cl)c1 1626374173 BCNBPKXXBPVIDO-UHFFFAOYSA-N 433.726 4.962 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(C)ccc(Br)c3[nH]2)cc(OC)c1OC 1627093617 MEBBPJQFDHVCNV-UHFFFAOYSA-N 443.341 4.915 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)c2cc(Cl)ccc2OC)c1 1629578106 UBQVESYZKPRUSA-NRFANRHFSA-N 447.984 4.663 30 10 IJEE Cc1ccc(C)c(N2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)c1 1632321567 DTJHVIWRPZOBRZ-UHFFFAOYSA-N 425.532 4.717 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C)CCOCC1 1632452859 CRTFEQBFCCTHHN-DEOSSOPVSA-N 448.563 4.545 30 10 IJEE C=CCn1c(SCC(=O)NCCc2c(C)cc(C)cc2C)nnc1-c1ccccc1C 1640966864 HOMLKDRHJMCPNK-UHFFFAOYSA-N 434.609 4.816 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 1642091052 LBPDXFQEMYTCBR-UHFFFAOYSA-N 440.547 4.817 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)CC1 1644943243 VCESXXCCSKXVTO-UHFFFAOYSA-N 429.564 4.758 30 10 IJEE C=CCn1c(SCc2nccn2CC(F)F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540251 KVFZZSRAYAPXBM-GFCCVEGCSA-N 436.553 4.523 30 10 IJEE N#C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2Br)CCN1Cc1ccccc1 1652079948 DNRGSKSPFFQICL-SFHVURJKSA-N 438.291 4.678 30 10 IJEE C=CCN(Cc1ccc(C(F)(F)F)nc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1652205776 BGMVKNFVRYCSII-KRWDZBQOSA-N 426.866 4.916 30 10 IJEE COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@@H](C)c1ccccc1 1652382317 DRFZGXCQEZKGPW-QFIPXVFZSA-N 444.579 4.673 30 10 IJEE C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(Br)cc2Br)C1 1654177635 GMAKKDJNDPCKFD-QWHCGFSZSA-N 430.184 4.827 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)C1 1654709480 CAUYPHPSGPVQLY-MRXNPFEDSA-N 448.972 4.578 30 10 IJEE C=CCOc1ccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)cc1OC 1655304832 MJUWCECGAIOKIT-UWJYYQICSA-N 448.966 4.604 30 10 IJEE COc1ccc(CN[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1C#N 1657326903 CWECPRMYSXXZMF-FQEVSTJZSA-N 428.374 4.705 30 10 IJEE C#CCN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCCc2ccccc21 1660324310 SZBYKNREYLUJFH-HSZRJFAPSA-N 433.552 4.824 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C 1662338142 HOEFBHPOPZUEJP-MHECFPHRSA-N 434.536 4.773 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(C)c(N2CCOC2=O)c1 1662574065 VDUKOTXYLSEVHO-UHFFFAOYSA-N 446.301 4.923 30 10 IJEE C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1665561368 TXOGLHPFTAVAJZ-LPHOPBHVSA-N 436.408 4.865 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 1667673086 XYKFRXZLSUZRFX-UHFFFAOYSA-N 435.402 4.578 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)n1 1668748302 HUQQVABDBRZFMW-UHFFFAOYSA-N 443.404 4.755 30 10 IJEE CCCc1c(NC(=O)NCc2ccccc2OCC2CC2)cnn1-c1cccc(C#N)c1 1670886684 BZPOXVPWVHONRY-UHFFFAOYSA-N 429.524 4.807 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1OC(F)F 1671771424 WJCKYSCHRRQSPW-KRWDZBQOSA-N 425.884 4.643 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1)C1CCOCC1 1674879432 SVXCSBQQRRDQRU-FQEVSTJZSA-N 443.341 4.578 30 10 IJEE C[C@]1(C#N)CCCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1675135120 BQNOQOHVRCNIPI-OAQYLSRUSA-N 441.329 4.859 30 10 IJEE CSc1ccc(Br)cc1CCNC(=O)Nc1nc(Cl)c(C#N)s1 1678319523 DELNCKSLMZQUJR-UHFFFAOYSA-N 431.768 4.517 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1 1678356572 ZNNIZXCFAVXQGU-WOJBJXKFSA-N 433.346 4.894 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)c1 1679281542 HZJYTDWNLWCFQA-FXAWDEMLSA-N 443.345 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)C[C@H]1CCC 1680699212 BLRLDHNQJYTUME-WMQCIHAUSA-N 439.522 4.687 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1682828012 NOUYTMQQFVEWFB-KDOFPFPSSA-N 425.932 4.536 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(Br)cccc2C1)c1ccc(Br)cc1 1683681302 NTFCOVGPACHFAJ-GOSISDBHSA-N 448.158 4.654 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)C1 1684412567 MDFFWADONNTLBY-GBXCKJPGSA-N 440.609 4.794 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12)c1ccc(Br)cc1 1686773208 LPRIGXKCHUHKIX-XOBRGWDASA-N 442.332 4.685 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CC(C)(C)C1 1690008201 ZLKZIMNPNWZQPT-UHFFFAOYSA-N 425.374 4.525 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCS1 1690083693 LVPDENJYUTUDQQ-OAHLLOKOSA-N 425.385 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCCC1 1690193640 OKUIFKFVCLVMEG-WZONZLPQSA-N 426.536 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cccc(Br)c1 1690250906 MWKGRKQOOLCJRZ-NQIIRXRSSA-N 445.405 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCOC(C)C 1690271272 JXPRAZOUHWCAGR-IBGZPJMESA-N 435.613 4.568 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1ccco1 1690343892 GPWCRTUXAPYFBT-MRXNPFEDSA-N 449.983 4.936 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(CC)s2)CC1 1690365840 IPLOIUBLHPTPQO-UHFFFAOYSA-N 432.391 4.864 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1690397261 ZJXBIBTVMGVEHM-LLJLJFOGSA-N 430.568 4.757 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690422016 AOMQBSYSVLEGRR-DFQSSKMNSA-N 445.007 4.928 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C1 1690430290 HRHAZQIZCJVNSD-MOPGFXCFSA-N 431.625 4.841 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1690457470 WYQBEGBBAPWPJX-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCn1nc(C)cc1C 1690515914 WZTWLJPQJGPOTJ-SFHVURJKSA-N 428.968 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1C[C@@]1(C)OCCc2sccc21 1690599042 JWYYSBDQVNSSLX-RUZDIDTESA-N 434.609 4.791 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1690750294 FOYNLJYZXYTUFC-UNMCSNQZSA-N 437.613 4.807 30 10 IJEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1697868812 CAGLCTRIWXNQNX-MOPGFXCFSA-N 429.515 4.505 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]1C 1705682459 ALBBJWSBIDEERG-HNNXBMFYSA-N 435.366 4.640 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705772292 LWZDPIKRXGNTQB-OAQYLSRUSA-N 441.595 4.521 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705785116 WHEMHVJHXBHUPE-RDGATRHJSA-N 438.616 4.937 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1noc2c1CCCC2 1705798103 KGNIQCSJMDNKFR-UHFFFAOYSA-N 430.556 4.914 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)nnc1C(C)(C)C)c1ccccc1 1705798396 RBWYIKWUWPNOCU-MZEQIWSPSA-N 438.616 4.710 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC=C(C)C1 1705806627 ISWMVBVABFJEIM-FQEVSTJZSA-N 429.609 4.905 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1csc(C(C)(C)C)n1 1705836561 XFTQRHABFSZKBF-UHFFFAOYSA-N 447.612 4.954 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1OCC)C1CC1 1705850835 KIQJEUSSTDYDQI-UHFFFAOYSA-N 427.911 4.734 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cccs1 1705862500 MMUOTVKGSBMUSO-QHCPKHFHSA-N 437.544 4.574 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@@H](F)C1 1705863778 FUFSBJKNQUZXKU-YYDVJCTNSA-N 448.608 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@@H]1CCO[C@@H](C)C1 1705873560 NSUOHPKNYYCBAE-VQTJNVASSA-N 433.556 4.984 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C2CC2)CC1 1705874645 SKCQSBWLXHCJFT-LJQANCHMSA-N 441.620 4.761 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1705882393 VQGLYRDIOHPPTO-GOSISDBHSA-N 434.531 4.808 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](CC)C1 1705948836 GSNCZYTZIFUGRF-HXUWFJFHSA-N 432.659 4.725 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1706072315 BOUUAVAOQSSKAB-JBYIUTFZSA-N 434.588 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1nc2c(s1)CCCC2 1722279109 AFEZFXFRESJMLS-AWEZNQCLSA-N 443.979 4.774 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCS1 1722421908 PJTWKVUJUAVJPQ-NRFANRHFSA-N 435.572 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccccc1CN(CC)CC 1722473643 BGQKZQKXUHQVPL-HHHXNRCGSA-N 433.644 4.893 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C[C@@H](C)CC 1722505266 AZHDMXCZNGJVLH-CSGUBPAMSA-N 440.588 4.644 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCOC[C@H]2C)CC1 1722562577 DYPYEYBYMSAOLS-HZPDHXFCSA-N 449.368 4.676 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1722618595 LEGLNCHKGXJOFU-FQEVSTJZSA-N 431.625 4.718 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC)c(OC)c1Cl 1722636504 MFOJFAMSVIHDKX-UHFFFAOYSA-N 448.354 4.529 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC=CO1 1722655698 PTOPHZYXUGIUDR-NRFANRHFSA-N 446.942 4.750 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1722658234 HDUABHVNSSPPSM-LJQANCHMSA-N 427.593 4.679 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1C[C@@H]1CCC2(C1)OCCO2 1722658266 CENHSXTZWMZRLM-RTBURBONSA-N 428.552 4.667 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)[C@@H](C)CC 1722659074 OAXODSDSRLZKGY-BXKMTCNYSA-N 426.536 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCC1(F)F 1722667214 WTWRFACQLKXMSP-QGZVFWFLSA-N 432.515 4.966 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2[C@@H]2C[C@H]2C(C)C)C1 1722716169 TXHMVNCGOACKIY-CEXWTWQISA-N 431.378 4.706 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN(C)C(C)C)C1 1722717127 DWPJZWIJVZLMKT-HSZRJFAPSA-N 439.648 4.754 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCC[C@H](O)C1 1723390062 BJTMJFZUIYLNLI-GGAORHGYSA-N 448.615 4.598 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)C1 1740578356 AEDRVJTUKHJJAH-UHFFFAOYSA-N 429.298 4.813 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@H](C)C1 1740647193 KDIMBLQRQCMHLE-DLBZAZTESA-N 443.364 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N[C@@H](C)CC 1740770422 ROEOFSDXPBXJKT-HNNXBMFYSA-N 438.403 4.959 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1740819952 KSGUUNPUMVHFEC-QUCCMNQESA-N 445.405 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C)c2)CC1 1740835062 CCSATRQGAHNEIR-UHFFFAOYSA-N 426.362 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1740852728 SEEULKQYRIYHIM-IBGZPJMESA-N 436.959 4.787 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)oc2ccccc12 1740856741 YTEWCYLYQCIKBI-UHFFFAOYSA-N 435.572 4.800 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C 1740920618 DUFMCKSKIZHVAX-UYAOXDASSA-N 432.609 4.891 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1C 1740922281 AXPKRNYZELMLPX-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN(C(C)C)C(C)C)CCS1 1741401343 HNZOZIFVTPMVAS-JOCHJYFZSA-N 440.661 4.513 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCCCC2)CC1 1748736856 SRHMPMOJXHVPMM-QHCPKHFHSA-N 449.643 4.903 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1748887018 QCXXTMLRHPKAPG-UHFFFAOYSA-N 442.592 4.692 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1749046614 CVGIFEDWYWERGO-FQEVSTJZSA-N 426.630 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)[C@@H](C)CC 1749171178 RBNJNAAZBOLYBK-AXHZCLLHSA-N 449.640 4.550 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1749347319 NLCKEESFXSUPND-RCZVLFRGSA-N 438.616 4.883 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1749413232 SKROADLSXLHXLE-QFBILLFUSA-N 443.548 4.558 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccnc(Oc2ccccc2F)c1 1749482228 DPYGVRYKSYBYPG-UHFFFAOYSA-N 430.487 4.645 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CSCCS1 1749560691 VNUUKWQYFWGTPW-DLBZAZTESA-N 434.606 4.584 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1Cc1ccc(Cl)nc1 1749584132 HEHOPUMXAJSHQQ-UHFFFAOYSA-N 430.943 4.672 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@@H](C)C1 1749584363 LAWVGQOGJZDAMD-JOCHJYFZSA-N 444.627 4.616 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CC1CCN(Cc2cccs2)CC1 1760107787 RZNICQYCANUCIH-HXUWFJFHSA-N 433.625 4.685 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H](C)CC 1760302463 DVCLIKWGWSXKQO-GFCCVEGCSA-N 427.774 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1760322521 UBHYARCBBIOTQU-ARNLJNQMSA-N 438.616 4.598 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760412420 KWFUJGYFJLPELF-LEWJYISDSA-N 446.542 4.978 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nccnc2C)CC1 1760421994 GERAEDLLXGLCHS-QHCPKHFHSA-N 445.615 4.601 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1Cc1cn2ccc(C)cc2n1 1760478168 YBIKZCYOBBTQNH-FQEVSTJZSA-N 444.583 4.997 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCc1cccs1 1760480150 MRMVQMRLQTYMOI-UHFFFAOYSA-N 440.576 4.632 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@](C)(O)C1CCCCC1 1760482690 NDHMSNHQCRFPID-HHHXNRCGSA-N 445.611 4.788 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC2(OC)CCC(C)CC2)C1 1760546152 JPPIYWNKVUFDMY-FUBUYXNDSA-N 438.616 4.554 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCCC2(F)F)C1 1760549579 HOLOWDDNXMYECM-RTWAWAEBSA-N 430.543 4.670 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCSC(C)(C)C1 1760569322 KXUWERMDVWTMQF-UHFFFAOYSA-N 432.659 4.725 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)C1 1768377886 AGMROMWLUXHBNP-FCHUYYIVSA-N 439.629 4.888 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1C1CCCCC1)C(=O)ON1C(=O)c2ccccc2C1=O 1772789670 CXIRDNPPYUHWPF-AWEZNQCLSA-N 427.884 4.909 30 10 IJEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 1858764793 SQVPVSKOSKBTND-UHFFFAOYSA-N 445.475 4.574 30 10 IJEE CCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1c(Cl)ccc(Cl)c1Cl 1861150751 UZINROBSEBNAPH-CZUORRHYSA-N 449.806 4.699 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(F)cc2)cc1 1862390791 MGJGIICTCLTCRA-QHCPKHFHSA-N 447.510 4.712 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862416399 GRVPWAYNOHRAOT-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432313 BPAFUYURXVDSPB-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862435532 YAKAKCSXTTWIDJ-JLTOFOAXSA-N 427.928 4.597 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1OC 1862439259 KFWIYFNIUDCHFO-HXUWFJFHSA-N 429.900 4.734 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(F)cccc1Cl)c1c(F)cc(F)cc1F 1862460197 IYEXHDQMNNGURO-QGZVFWFLSA-N 425.765 4.637 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1Cl 1862502455 AHQXAZYKLYUFHR-HXUWFJFHSA-N 431.891 4.792 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 1862510302 AHIRLNZCSJNHHW-SPLOXXLWSA-N 427.472 4.528 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862563535 GDIPOPMTSKLQBG-QFIPXVFZSA-N 448.544 4.898 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862628452 YYFXXILLRUSUCL-BIFSNJIPSA-N 449.503 4.581 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862674340 MEEKIGZYPCCBNG-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1862677329 DCDGSNUAIVAVFI-XMMPIXPASA-N 446.522 4.899 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862684531 YRCVWRGHZGNCIH-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862697554 MTVRVHCVJMDKBE-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(F)ccc3F)C2=O)c1 1863032232 YAEMZKQQJDDDMW-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863692127 FDKWCBTTXADASR-CBKZDSQWSA-N 448.607 4.936 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1ccc(CC)cc1 1864760547 JPMKGUSQKQZRKU-OAQYLSRUSA-N 438.616 4.716 30 10 IJEE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](C)C(=O)Nc1ccccc1C#N 1866675643 MFOMTSGDCDWZHX-INIZCTEOSA-N 444.535 4.505 30 10 IJEE C[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867117204 NOBJTGRIKYTCMN-HRAATJIYSA-N 433.458 4.502 30 10 IJEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870111624 WJRIMOUEUHWKBK-UXHICEINSA-N 427.895 4.747 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CSc1ccc(Cl)cc1 1870214087 YAQJJZSMNFNHAK-UHFFFAOYSA-N 440.952 4.998 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1Cc1cccnc1 1870380806 XARVFBSKOZDDCP-UHFFFAOYSA-N 443.591 4.970 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1cccnc1 1870464082 UBDXVVIVVNDRCB-UHFFFAOYSA-N 429.564 4.607 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870568794 UPMCPBVHCLWKDU-SZPZYZBQSA-N 447.664 4.592 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870861530 HELQOPDETONGCQ-UHFFFAOYSA-N 425.872 4.787 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871215951 APQMKLIPSZNPLS-UHFFFAOYSA-N 447.579 4.869 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)C(=O)O 1871422758 CGCMSEOXDHEGAU-IDMJCQGXSA-N 444.867 4.845 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871458726 GNNRUGSVVJBWDV-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871996027 PHZWSDLZNUSVNM-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cccs1 1872101573 YWMBWCZUVPMJJK-HXUWFJFHSA-N 445.610 4.850 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)CC)S(C)(=O)=O 1872125317 MNUHRFOWIMQZMD-WBMJQRKESA-N 440.915 4.550 30 10 IJEE N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763027 CEXAKXZBCQHZNY-CQSZACIVSA-N 428.813 4.770 30 10 IJEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)c(OC)cc1Cl 1872782039 BLSRWKOAOHWWEB-CQSZACIVSA-N 443.868 4.879 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872789294 DLCVIOROYVCFNE-GFCCVEGCSA-N 436.345 4.785 30 10 IJEE CCOCCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1 1872869490 DPMJLRKIOVTVKV-UHFFFAOYSA-N 444.487 4.583 30 10 IJEE CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccc2ccccc12 1874207048 DJXWOXFKJAKLDE-YYHBXHNPSA-N 441.560 4.552 30 10 IJEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1OC 1874239283 ZOEHURZFXATYMX-KOEQRZSOSA-N 448.548 4.696 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCCO)nnc2-c2ccccc2Cl)cc1 1874369534 FJJSHDRZDZZJGX-HZHRSRAPSA-N 430.961 4.744 30 10 IJEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2/N=C/c2cccn2C)c1 1874384266 HLTYPUBRAUNCKD-MFKUBSTISA-N 431.565 4.987 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1sccc1C 1874391480 ISEIVYACZCOTPO-QIWJOQEQSA-N 441.626 4.643 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874427502 NGOSKBWGFWTLCD-WYMPLXKRSA-N 448.379 4.752 30 10 IJEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(F)cc2)cc1OCC 1874523899 NNIRJBQCVKDSBT-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE COc1ccc(Cc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2C)cc1 1874562600 FZIOCDCSGCWDSC-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)C(F)(F)F 1874710053 QRXKJFVWXYEXCW-QPJJXVBHSA-N 447.178 4.961 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1875151119 VTIJVGOZDXXUQY-VMPITWQZSA-N 435.363 4.578 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1F 1875151832 FGEOEBBYSILKFM-VMPITWQZSA-N 433.457 4.687 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C2CCC2)c(OC)c1 1875192934 LBQHZTBUEQCNSI-VQHVLOKHSA-N 430.884 4.967 30 10 IJEE C#CC[C@H](C[C@@H](NC)c1cc(I)ccc1Br)C1CC1 1887489054 LHVRXTWZCOTQHB-MLGOLLRUSA-N 432.143 4.754 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H](CC)c3ccc([N+](=O)[O-])cc3)cc21 1891484996 POAUHZHXTWAMBV-IBGZPJMESA-N 437.496 4.665 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H](Sc1ccccc1)c1ccccc1 1891616127 YFHWTMLYJOEZLG-SANMLTNESA-N 426.585 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Cc2ccc(Cl)c(I)c2)C1 1900396470 QNDADXJHLRRPFH-QGZVFWFLSA-N 446.716 4.638 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1scc(Br)c1Br 1930752718 SWZQSAGDLFDTLS-JTQLQIEISA-N 440.201 4.696 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 1982478995 LRXRKXFQDKXDHT-NQIIRXRSSA-N 430.511 4.973 30 10 IJEE C[C@]1(Nc2cccc(Br)c2C#N)CCCN(C(=O)OCc2ccccc2)C1 1998958196 PCCXMMIXLLVTRS-NRFANRHFSA-N 428.330 4.924 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(C#N)ccc1Cl 2010517020 SOHKOKXNXBRDFU-GOSISDBHSA-N 443.931 4.650 30 10 IJEE CC1(C)OB(c2cc(Cl)ccc2NC(=O)C2CC(OCc3ccccc3)C2)OC1(C)C 2042206987 PYOSICNKWCGFIA-UHFFFAOYSA-N 441.764 4.573 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Cl)ccc2Br)NC)C1 2077079646 JAJPKOAQWKMKAM-MRXNPFEDSA-N 429.786 4.847 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)c(F)c1 2080039660 XSHNBWRPHBSLDM-QGZVFWFLSA-N 439.272 4.630 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Br)cc1I)c1ccsc1 2086150021 VVVQFSJRWWWGTI-LLVKDONJSA-N 432.080 4.605 30 10 IJEE Cc1cc(Cl)c(Br)cc1NCc1occc1B1OC(C)(C)C(C)(C)O1 2138101120 FFEREHIMSVANHQ-UHFFFAOYSA-N 426.547 4.915 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(Cc1ccc(Br)cc1C#N)CC2 2174593557 JHXHNRUYPBYMLB-OALUTQOASA-N 434.378 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1 2180916944 COJYNYDMZFWALO-DZGCQCFKSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@@H](O)C#Cc2ccccc2Br)cc1 2235743945 NJDAFHMRGWKQTQ-FQEVSTJZSA-N 430.342 4.601 30 10 IJEE CCc1ccc(C#C[C@H](N)c2ccc(I)c(Br)c2)cc1 2239647015 QUYOIIHGDULDQD-KRWDZBQOSA-N 440.122 4.668 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Nc1ccc(C#N)c(Br)c1F)C2 2241103344 CBBMCXFIVLCBNJ-DLKVLKDVSA-N 438.341 4.954 30 10 IJEE C#CC[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2244548011 JGEPFJNUVKJHPO-IBVKSMDESA-N 444.575 4.954 30 10 IJEE CC1(C)OB(C2CC(C(=O)N3[C@H]4CCC[C@H]3CN(Cc3ccccc3)CC4)C2)OC1(C)C 2267099572 LQGQSNOYVUNUCL-BBITVKMKSA-N 438.421 4.514 30 10 IJEE CC1(C)OB(c2cnc(Nc3cc(Cl)ccc3Br)c(F)c2)OC1(C)C 2269008827 XAGZLDMNRCAZCT-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(CC)cc2)cc1 2296114367 ZAIQTVAWLOBDIU-QFIPXVFZSA-N 432.476 4.570 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 2296136022 NQRSFWNHGCQANF-FYSMJZIKSA-N 443.474 4.771 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@]1(CCF)CCCN1C(=O)OC(C)(C)C 2296228035 VIOJXXYYBCCONH-GHTZIAJQSA-N 439.369 4.518 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296277311 QRJJGSLPURBNQJ-PMACEKPBSA-N 428.326 4.528 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296277607 USWLRROUKZCJSZ-AVRDEDQJSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]12C[C@@H]1CCCN2C(=O)OC(C)(C)C 2296279443 OWELTZBNOWMSDL-KPLVRAHFSA-N 433.390 4.568 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2296866143 YUXUAPUWLJOWCF-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2321193305 QGLSYEXMLUXLFX-ZDUSSCGKSA-N 448.379 4.745 30 10 IJEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)cc1 2323471426 BKWXSVVYFKURDA-UHFFFAOYSA-N 436.508 4.881 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)cc1 2323936924 GNGHXJASIBUPLC-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2325708537 CLEFKVYXCOADIM-UHFFFAOYSA-N 425.824 4.575 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cc(OC)ccc1OC 2326514641 DEMPWWGWOPTTDA-UHFFFAOYSA-N 446.960 4.830 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1cc(Cl)ccc1O 2326846156 FBLCPUIUYQGKAX-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)c1 2327482308 XAEDTCBHHWYNMO-UHFFFAOYSA-N 426.448 4.903 30 10 IJEE Cc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329035043 DWEOXUAZCMNESG-JOCHJYFZSA-N 447.608 4.528 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1c(Cl)cccc1Cl 2329038375 QKOFZVADDPJYPZ-CYBMUJFWSA-N 440.400 4.694 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339601577 YPUWVVZMFSBVCJ-XMMPIXPASA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1F 2342467981 CMPXBMVOROZHQB-HSZRJFAPSA-N 448.344 4.871 30 10 IJEE C[C@H](C1CC1)N(CCC#N)Cc1ccc(I)c(Br)c1 2349846309 XKQBRCNAOOIDFV-LLVKDONJSA-N 433.131 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(N)C#Cc1cccc(Br)c1 2380877133 YTBPEXXAGVVFRA-DVRVPYBTSA-N 433.390 4.602 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2ccc(OCCC)c(Br)c2)c1 8905100 KGTRRSAUXOBVAL-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE C/C(=N\Nc1nc(SCc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Br)cc1 21081810 OHAUWEXJTIYRQG-RGVLZGJSSA-N 447.318 4.604 30 10 IJEE O=C1/C(=C\c2cccc(Br)c2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 37857976 OONJKHBSUSWLEK-SRZZPIQSSA-N 449.304 4.812 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 40077070 ALJQEIRUXKNUQG-GOSISDBHSA-N 432.289 4.967 30 10 IJEE CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccccc1 47163443 FFDLYPUGUPKLGZ-UHFFFAOYSA-N 426.520 4.818 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 66227329 JXSQSWASVJEFAZ-LJQANCHMSA-N 429.520 4.793 30 10 IJEE CC/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C1CCCCC1 100203721 XYTSGRASIQPJSI-QKDOTCOFSA-N 428.385 4.975 30 10 IJEE Cc1c(OS(=O)(=O)c2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 103024728 XPIIJDXFDHPRSK-UCQKPKSFSA-N 445.496 4.871 30 10 IJEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@H]2c2ccccc2F)sc1C 103109233 SPYLXBKJSBOHEQ-LYHOESIGSA-N 426.444 4.664 30 10 IJEE CCOCCC/N=C1/Sc2nc3cc4c(cc3cc2CN1Cc1ccccc1)OCO4 104328314 JNJPMCXNZSRZNV-OCOZRVBESA-N 435.549 4.854 30 10 IJEE COc1ccc(-n2ncc(N/N=C\c3ccc(OC(C)(C)C)cc3)c(Cl)c2=O)cc1 169895258 DSRVSFOMJJTAKT-CFRMEGHHSA-N 426.904 4.518 30 10 IJEE CCN(Cc1ccccc1)c1ccc(/C=N/NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 169904319 RDLRGTXGEMSQGG-YZSQISJMSA-N 435.593 4.951 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2cccc(C)c2)c1 169931052 HZCVMVMSVWCIKU-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)cc1 169956952 QBCCKVLDSHZVQA-QFIPXVFZSA-N 449.507 4.572 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)cc2)c1 169957584 BUFNMPAPTYXNFV-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)c1 169972856 ZJCDIXQNHHKKSA-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)c1 170002781 WOYQGPCJOXSQHK-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2F)c1 170071943 DIYYZZLRKWLXPN-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2OC)cc1C 170123531 UHQJXTYUKPBSRJ-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2OC)ccc1Cl 170125882 CQSSSMQPJVHPNF-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccn2)cc1C 170182610 IJAKDIIXPPBEON-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)cc1 170186558 SNPXPYDPALXHGJ-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1C(C)C 170229753 LRBDUJPERSKEEL-YKSBVNFPSA-N 449.547 4.966 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 170237355 YUCFHBOFHWJTLC-IBGZPJMESA-N 438.436 4.574 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)ccc1Cl 170259063 XJEBLHLCRXRBFN-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)ccc1Cl 170274965 LTSHHGXDAOLFBD-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170306008 CPSJWENXGDRNRW-KRWDZBQOSA-N 430.432 4.722 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC)cc2)cc1 170426549 PYNMCMGXMWIFQG-HSZRJFAPSA-N 446.503 4.917 30 10 IJEE CCc1ccc(NC(=S)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 254698969 KKSHIEWUSLJZKS-UHFFFAOYSA-N 432.524 4.626 30 10 IJEE N#Cc1cc(Cl)nc(Nc2ccc(Br)c(I)c2)c1 310711440 LBWJYCJGQRSJED-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3cscc3Br)c2)OC1(C)C 404917166 PYLAWPKSLBJCSL-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1)c1ccc(F)c(F)c1 428997549 QDYYXPSZVSAUKJ-LJQANCHMSA-N 449.523 4.804 30 10 IJEE O=C(CCOCC(F)(F)C(F)(F)F)Nc1cc(Cl)ccc1OCC(F)(F)F 478036853 VOWBNEVWJJAHMD-UHFFFAOYSA-N 429.691 4.824 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 508788946 FVWHIBOUTQNHNG-HNNXBMFYSA-N 436.387 4.569 30 10 IJEE CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 518491910 KKGLQZAIOYNWGA-QHCPKHFHSA-N 433.552 4.716 30 10 IJEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1O 526803101 RJHDHEFIJFCSIB-YSMPRRRNSA-N 448.523 4.788 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 549250496 WMMFBCZGDTYXFG-FQEVSTJZSA-N 444.482 4.910 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 582798173 GEXWOBCPCAJXHG-DEOSSOPVSA-N 448.567 4.637 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)[C@H]1C[C@H](NC(=O)CCCc2ccc(C)cc2)CCN1 585838432 GYXGYYYSDPNNRU-MOCODALISA-N 448.607 4.626 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1 586003515 BIKLRNZBMRCHDT-HXUWFJFHSA-N 441.522 4.837 30 10 IJEE N#CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 586205655 NFLNFHGKMSWXSD-UHFFFAOYSA-N 443.322 4.960 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1OC 609644056 HYLZMDMLRHBDHD-SFHVURJKSA-N 430.504 4.515 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 611824152 PREZVXTTWDHWBK-UHFFFAOYSA-N 428.458 4.660 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCC2(F)F)nnc1-c1ccc(Cl)cc1Cl 672500451 JZPDIMZQKYINLU-CQSZACIVSA-N 447.338 4.834 30 10 IJEE C#CCOc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)c1 732488521 VTHBYYONRYDQQU-AREMUKBSSA-N 434.495 4.696 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H]1CCCN(C)[C@H]1c1cccs1 742373189 HKWWFEYMZLAZOR-HRAATJIYSA-N 433.415 4.695 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 749672402 QXPAJTWUVQHFFD-IZZNHLLZSA-N 446.510 4.581 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccsc1 790285638 RQQGCPDEDIPSIL-QGZVFWFLSA-N 435.521 4.953 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C)c1 799214576 CVMHTNWJSZINDX-KRWDZBQOSA-N 446.370 4.738 30 10 IJEE CCOC(=O)c1cccc(N=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 1084477511 ZICIYUJYIIFGOW-UHFFFAOYSA-N 433.460 4.900 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2sc(CC3CC3)nc2C)c(C(=O)OCC)c1C 1124820574 IOLFDOSRVVEVLO-UHFFFAOYSA-N 448.566 4.546 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 1128600397 LJHFZJKEYDCMEA-IBGZPJMESA-N 441.369 4.715 30 10 IJEE Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1132098025 DHEZGETTXMFCRM-UHFFFAOYSA-N 441.318 4.791 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](C)C2)c1 1133786950 RWISBQRJCNYAHA-LPHOPBHVSA-N 432.973 4.640 30 10 IJEE C#CCN(C(=O)c1cc(F)ccc1I)[C@H]1CCCc2ccccc21 1134310762 FPQPHHNNSCDWBK-IBGZPJMESA-N 433.264 4.583 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(F)cc1F 1138286975 MEKGRNWJWHHWBF-CQSZACIVSA-N 433.293 4.915 30 10 IJEE C#CCC1(NC(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CCC1 1156396498 VXYQTSUNAOEYOJ-UHFFFAOYSA-N 438.593 4.769 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 1170344809 ATLSQZXZTGIAEU-GDBMZVCRSA-N 442.478 4.788 30 10 IJEE C#C[C@@H](N[C@@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)c1ccc(Cl)cc1 1182152554 PAMYYIKJQSOZSZ-SCLBCKFNSA-N 432.973 4.876 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1ccc(S(=O)(=O)C(F)(F)F)cc1 1188878733 CPOXKNFIXPJWKK-UHFFFAOYSA-N 447.525 4.989 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(-c2cnco2)cc1 1219086506 DEQNUZZWYCHBIG-UHFFFAOYSA-N 428.286 4.991 30 10 IJEE CC(C)(CNC(=O)N1CCN(c2ccsc2C#N)CC1)c1ccc(Cl)c(Cl)c1 1221552079 DQJVHNIMBRCDCZ-UHFFFAOYSA-N 437.396 4.736 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC(c3ccc(Br)c(C)c3)CC2)CC1 1221800342 PUQZLGSPIOSSJV-UHFFFAOYSA-N 434.422 4.687 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 1224913512 DOUGJZAUUKRHIH-NVXWUHKLSA-N 426.342 4.610 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC(c3c[nH]c4ccc(C(=O)OC)cc34)CC2)cc1 1228136985 AGYVNSWXYOXRHG-UHFFFAOYSA-N 447.535 4.609 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C 1251831407 XCDXNYCCIXZGRJ-YMPZKCBVSA-N 435.568 4.664 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(Br)cc1 1252459312 QIQXUGQOLKZLRW-RTBURBONSA-N 433.733 4.560 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC[C@H]2CCC[C@H]2c2ccccc2)nnc1-c1ccco1 1274032188 CDIVSTPAVIFROE-UXHICEINSA-N 436.581 4.906 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286334054 GQCVRLBBXHZPTE-HSZRJFAPSA-N 436.600 4.530 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC(CC)(CC)SC 1286454622 LYTXAQQRKILQJJ-UHFFFAOYSA-N 439.604 4.984 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1CCCCC1 1286463349 MSFMFEAAZTYUJY-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286505960 COUXOVMXJVXSTE-INIZCTEOSA-N 437.034 4.595 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1286551923 JURZVRQPBMYCOE-LPOZWGFCSA-N 437.588 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1cccs1)C(C)C 1286564969 OBMVONBOTZEEFZ-OFNKIYASSA-N 437.613 4.722 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@H](C)C1 1286604495 LSIRCVXXHNBLHH-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCN(CC)CCC(F)(F)F)CC1 1286662344 GVBPTQDFUVCMJR-UHFFFAOYSA-N 441.567 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286671818 ZYVWXMZHEKQVSZ-UHFFFAOYSA-N 427.637 4.767 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286678124 QMRDFOQKVVZZBG-JOCHJYFZSA-N 441.595 4.583 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1286705545 FMZYHELASAWUMW-LJQANCHMSA-N 441.626 4.879 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCOc1cccc(C(F)(F)F)n1 1286718767 CGFHREAVLXBBSV-UHFFFAOYSA-N 437.853 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCC[C@H]1C 1286748199 SXDZQFJGUSAPAO-HXOBKFHXSA-N 426.561 4.889 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cc(F)cc(OC)c1 1286748210 UAVICTRIBWEXPY-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1Cc1nccs1 1286749872 GGDCDTKZVKTLFL-UHFFFAOYSA-N 441.557 4.755 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCOC(C)(C)C 1286828186 IIXBCJPCCXNHLQ-UHFFFAOYSA-N 427.618 4.607 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 1291959397 PHSPNJROIMLTIW-SFHVURJKSA-N 427.549 4.783 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C1CN(C2CCOCC2)C1)c1ccc(C)c(C)c1 1293122195 AEKJKUCLNXWBEI-UHFFFAOYSA-N 434.580 4.512 30 10 IJEE C=CC1(CC(=O)N2CCN(Cc3ccccc3)c3ccccc32)CN(C(=O)OC(C)(C)C)C1 1295215271 XMJUIZDQAJGQTJ-UHFFFAOYSA-N 447.579 4.853 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1300421611 LXMCJKPBPJGSPW-NRFANRHFSA-N 428.527 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)c1ccccc1 1300925566 XJOXXAZTIULIOL-YPAWHYETSA-N 426.605 4.987 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1300980257 HAMOQHLOVYSADV-GOSISDBHSA-N 448.970 4.583 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cnn(CC)c2)CC1 1301074690 GRXHKSNOTYZUHW-UHFFFAOYSA-N 434.588 4.791 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1301140793 CIODBBCHKUPCJR-OAQYLSRUSA-N 437.632 4.989 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CC(C)C)C1 1301143421 KGYKMJNMNLYRKW-IBGZPJMESA-N 444.645 4.823 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1 1301147613 GQHMVYHSMIPRDT-HNNXBMFYSA-N 437.382 4.766 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1 1301260284 YUXJYIZIVYXQKO-INIZCTEOSA-N 439.050 4.758 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCn1nc(C)cc1C 1301271537 VOWHNWRMDVJTPU-UHFFFAOYSA-N 447.612 4.903 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN1CCC 1301349582 PZRCRWMEHNQODD-RPWUZVMVSA-N 437.632 4.977 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(COc2cc(C)ccc2C)n1CC(F)(F)F 1301413123 PLEHORKGRXUUJX-UHFFFAOYSA-N 434.462 4.864 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1305276325 FBOJMYJCKUTTJU-UHFFFAOYSA-N 449.628 4.653 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1306810079 BEGZOUOGXIGWCK-UHFFFAOYSA-N 436.947 4.571 30 10 IJEE C[C@H](c1ccccc1)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 1307665987 GVSQMIQJEJHFCG-ZJSXRUAMSA-N 444.604 4.725 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(I)cc2)cc1 1310303679 ZMPWVASSXKMEQR-IBGZPJMESA-N 446.288 4.672 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)C1 1310350880 YLIAOMQDZIQKLC-OAQYLSRUSA-N 447.558 4.951 30 10 IJEE C#CCN(C(=O)Nc1cnn([C@@H](C)CC)c1C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1310500604 PVQLVECQRRMISR-KRWDZBQOSA-N 443.592 4.598 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C 1310862761 VBIVDWXCJOABMH-YWZLYKJASA-N 432.362 4.827 30 10 IJEE Cc1c(C#N)c(NC(=O)[C@H]2COc3ccc(Br)cc32)n(-c2ccccc2)c1C 1353439238 BZIAXLWRCIRDGH-IBGZPJMESA-N 436.309 4.843 30 10 IJEE N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)cc1 1355206845 HTOBTKORBPMLLS-UHFFFAOYSA-N 442.416 4.576 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C)c(C)s1 1358871674 IXQNEBJDJROPOA-UKRRQHHQSA-N 429.977 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc(C(C)(C)C)cs1 1358897175 UXRKOXWFSHUNPW-SFHVURJKSA-N 437.613 4.734 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H](C)c1nccs1 1358909103 UHSMVUJKBDAZIU-SFHVURJKSA-N 430.581 4.993 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1358915321 ZNBUHYHMUZUTBI-UHFFFAOYSA-N 443.636 4.650 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCSC1 1358938864 KUWQDSYJDQOCAA-QZTJIDSGSA-N 433.021 4.901 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccsc1 1359105098 JRQJPRATEYOOSO-XRXFAXGQSA-N 444.645 4.876 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1359125478 FNYMFMBFKPYICM-UYAOXDASSA-N 445.995 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccsc1 1359187039 AJBDMRAEFIIEBZ-UHFFFAOYSA-N 434.569 4.894 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1359243318 NQXZXXFHYWQPDD-FQEVSTJZSA-N 432.996 4.689 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1Br 1359340626 SSKXXMHPEWDZGH-UHFFFAOYSA-N 444.402 4.658 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)c1ccccc1 1439951046 MDBHKMZEJHJUPR-LJAQVGFWSA-N 428.945 4.897 30 10 IJEE C=CC(C)(C)C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1441410985 HRUGDFHCIHDZOU-UHFFFAOYSA-N 441.322 4.540 30 10 IJEE C#CCN(C(=O)Cc1ccc2c(c1)CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1456451674 UQXUDOVLINWZJY-JOCHJYFZSA-N 438.365 4.856 30 10 IJEE Cc1nc(SCC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)c(C#N)c(C)c1C 1458087666 FFTHYVNOSUOSJV-GFCCVEGCSA-N 444.398 4.707 30 10 IJEE C=CCc1cc(C(=O)OCc2cn(-c3cccc(Cl)c3Cl)nn2)cc(OC)c1OC 1458603867 MEZKYTBIKUFKIL-UHFFFAOYSA-N 448.306 4.677 30 10 IJEE CSc1cccc([C@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)c2cc(F)ccc2F)c1 1463217407 GSCDGUAATFUANF-QFIPXVFZSA-N 444.528 4.935 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1464713185 GLHXWGHGJPFCIJ-NOZRDPDXSA-N 426.988 4.802 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)c1 1467326720 PEOLALNRQUIKTD-RUZDIDTESA-N 429.541 4.568 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(C)cc1Br)C[C@H]1CCCO1)c1ccccc1 1470662580 JCKWPZMGEKDHLO-IFMALSPDSA-N 441.369 4.823 30 10 IJEE Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)c1 1473572533 AGYLMXBFAMZBQA-LJQANCHMSA-N 426.520 4.751 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1OC 1474193863 ZMYLBGRDRYCTNY-BBRMVZONSA-N 438.284 4.612 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1475489782 OBXREAZOFYPRJH-BBRMVZONSA-N 441.416 4.986 30 10 IJEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCCC1 1503491705 FELYCOVUAGWFBD-UHFFFAOYSA-N 430.556 4.731 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507516481 CEPNSIHZXPJQLA-HJOGWXRNSA-N 447.671 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C(C)C)C(C)C 1507524815 XKKDWSISNDGYQA-MOPGFXCFSA-N 427.662 4.708 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507602003 LKWDRWDJOSOODN-WAOWUJCRSA-N 445.007 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N1CCC(C)CC1 1507826464 OWKMWZYGFZNXPT-OAQYLSRUSA-N 434.632 4.873 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](Cc2ccccc2)OC)CC1 1507900502 OFRZELCCKDCFSQ-OAQYLSRUSA-N 437.975 4.654 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1507935778 UNIOTSFBAYZCGN-RBBKRZOGSA-N 445.007 4.742 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1507941782 LBRPKXZPYKJLPW-NRFANRHFSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1507947748 JTFOZJBVDBTLBD-PZJWPPBQSA-N 426.561 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC=CO1 1508010954 ITERTUBJDUMYBL-HXUWFJFHSA-N 440.544 4.943 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1508150954 SREYTWYTXJTSEG-GJZGRUSLSA-N 440.585 4.796 30 10 IJEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)CCC2CC2)ccn1 1516882528 GWZDMJSUJJUCJV-UHFFFAOYSA-N 432.597 4.998 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2Br)c1 1520385510 XSTKAVRQSMKJML-UHFFFAOYSA-N 425.238 4.779 30 10 IJEE C#C[C@@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(C)C 1525609940 NZNVWRKMVYPTOS-JOCHJYFZSA-N 436.939 4.617 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(CC)co2)nnc1-c1ccc(Cl)cc1Cl 1525710875 MBEZRFVXZUJHKL-UHFFFAOYSA-N 438.340 4.719 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 1526450427 AYMYECASUOQCFA-QGZVFWFLSA-N 430.342 4.727 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1526472754 GZGIOCCDGNXNFJ-FQEVSTJZSA-N 445.350 4.564 30 10 IJEE Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 1529014373 FHAPZVZCMOXXQR-UHFFFAOYSA-N 427.895 4.854 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)s1 1531514967 HAYSQZAKKOAFLO-UHFFFAOYSA-N 448.013 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CC#N)CC1 1539617374 WBXUMOMFYCDDNU-SGNDLWITSA-N 433.600 4.931 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC(F)F 1539618885 BPCFINNRVQKFSN-VGSWGCGISA-N 441.526 4.874 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1539832415 UPRJPSXVPBQXNM-DEOSSOPVSA-N 446.542 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1539912785 ROGLINPYRURDIZ-UHFFFAOYSA-N 442.608 4.711 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)c1cccc(C)c1 1539981836 OAMWUGGHZIFLRU-UHFFFAOYSA-N 438.601 4.589 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1539999295 ZQBSBLVQPCAHKG-YOFSQIOKSA-N 429.609 4.879 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1540163311 XEYRUZFWSGFFSH-LJQANCHMSA-N 430.499 4.576 30 10 IJEE C[C@@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1ccc(C#N)cc1 1540795582 DWKHXNTYKVUTME-OAHLLOKOSA-N 440.569 4.620 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccco1)c1cccnc1 1541304611 GBHKSYVTJUXSAE-QHCPKHFHSA-N 426.524 4.881 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CCc2scnc2C)c1C 1542029561 HUYXDCNRCLIXBA-QFBILLFUSA-N 438.601 4.781 30 10 IJEE C#Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 1544044505 DRHQPGAXBYOCDS-IZZNHLLZSA-N 428.963 4.853 30 10 IJEE CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(CC)CC 1559618307 ABOGYYIHJJOMKD-FCHUYYIVSA-N 428.621 4.946 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](c1ccc(C)cc1)N1CCCC1 1560301446 UFRYSPVOBRNLGO-JOCHJYFZSA-N 427.386 4.696 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1562083747 BZFDTMKGPAZLKO-NZQKXSOJSA-N 441.597 4.764 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1 1562424902 ZRRUSXBEHPOFGN-UHFFFAOYSA-N 426.339 4.799 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 1563947036 YCSODBUKPYHJTM-FQEVSTJZSA-N 428.374 4.816 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](NC2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 1564406382 FGCPVUNWYHFAIZ-LEWJYISDSA-N 439.522 4.655 30 10 IJEE C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(Cl)c2ccccc12 1564620935 HOFFZXNTURZNHI-QUCCMNQESA-N 432.955 4.974 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1565338805 GNFAIBZAFFUDQP-NRFANRHFSA-N 449.636 4.571 30 10 IJEE C=CCCSCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 1583907720 JLNQVABCTCRCQS-UHFFFAOYSA-N 432.549 4.779 30 10 IJEE C=CCn1cc(CNC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)nn1 1585556005 WGISGOXGNOOZOV-UHFFFAOYSA-N 436.434 4.703 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)cc1OC 1586171165 JHOMWXNVQXNHLX-XYOKQWHBSA-N 425.481 4.573 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCc1ccc(Cl)s1 1587958069 NWPUOYQGMPESFN-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1589043393 YCHGTBCNNFYHHL-HXUWFJFHSA-N 440.544 4.532 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1589381282 AEHNSSWSJLRXOW-HOTGVXAUSA-N 441.377 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@H](CC)C1 1589504387 ICLFOTMSNVOSCA-PZPFTHLGSA-N 448.970 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1589515233 MIXKDNGKKQXVRV-DXIQSLLYSA-N 442.579 4.849 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1593671847 SRVHIHZZZFYKMD-OAQYLSRUSA-N 442.947 4.865 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1594240940 CGHSMNKJASMACO-UHFFFAOYSA-N 432.996 4.792 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1594680158 NURIWQXSKCMJCE-MZKRTTBSSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1594714153 SIOWBCFQTHTTKX-IBGZPJMESA-N 448.615 4.771 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1594753122 XJIDVFQZQFDRNL-HXUWFJFHSA-N 431.625 4.813 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1595127400 OBBCGYCSKXFCSS-CLOONOSVSA-N 425.596 4.998 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1CC1(C)CCOCC1 1595259708 BOMFHYBFKQFENE-UHFFFAOYSA-N 438.547 4.653 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC[C@@H]1OC 1595275871 RFPGCDDIBBWUAT-UXHICEINSA-N 444.645 4.729 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)c1nc(C)cs1 1595291910 SUHXLUKNVPCRGC-INIZCTEOSA-N 436.585 4.634 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)[C@H]3C[C@@H](OCC)C34CCC4)nnc2C(C)(C)C)cc1 1595639744 JCIRDRLWPIVWOF-FCHUYYIVSA-N 438.616 4.973 30 10 IJEE CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1611614895 HSAAVWMGXSKPAH-OAQYLSRUSA-N 434.632 4.811 30 10 IJEE C=CCn1c(SCCO[C@@H]2CCCCO2)nc2sc(-c3ccccc3)cc2c1=O 1613426061 IHVPRNATYURPLW-LJQANCHMSA-N 428.579 4.946 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2n1 1617512123 MAEIWKUVUQMZQX-UHFFFAOYSA-N 429.377 4.818 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C)C1CCCCC1 1617632088 CMJMFDMULVNKPZ-NRFANRHFSA-N 434.613 4.950 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 1618437109 LBNRKOULXDJOAC-OYRHEFFESA-N 439.353 4.954 30 10 IJEE COCC(C)(C)CCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1619561137 HKHLKSLSXNTYJF-VWLOTQADSA-N 439.604 4.748 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(F)c(Br)cc1C 1622044931 ROYIDZYRVJRTSZ-UHFFFAOYSA-N 428.323 4.595 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 1624371819 YCWZHCYDRZYNSA-GOSISDBHSA-N 435.524 4.724 30 10 IJEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1624973608 GIZHHTOZDWUVHK-YJBOKZPZSA-N 430.549 4.645 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(SCCOC)cc1)c1ccc(Br)cc1 1631332343 KMFPWSOFNLOALZ-FOIQADDNSA-N 447.398 4.922 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1631871376 AEKTXZSXAVZENW-JVPBZIDWSA-N 437.943 4.536 30 10 IJEE C=CCC1(C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)CCOCC1 1632099657 ZUHXXPLVYCAPKI-XMMPIXPASA-N 438.999 4.947 30 10 IJEE C#CC[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1633351112 KQQLBEFPPLVXOL-XPWALMASSA-N 439.600 4.962 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1642245326 FHUHGQMLMUQOBA-UNVFRBQDSA-N 444.575 4.812 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C 1646181461 FVVMMAGHMYIBTH-MAUKXSAKSA-N 438.490 4.505 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1650974949 WHDZZWYCILCFQV-NXLVEIQXSA-N 447.641 4.840 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 1651708427 BMCUOOLJZNNLRB-UHFFFAOYSA-N 445.950 4.524 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc(Br)ccc1Cl 1652060142 HZBCIRAEAWDZLF-UHFFFAOYSA-N 446.732 4.783 30 10 IJEE C=CCn1c(SC[C@H]2CN(CC)C(=O)O2)nc2scc(-c3ccc(C)cc3)c2c1=O 1652348883 FTOAKYFDYOLYKS-MRXNPFEDSA-N 441.578 4.552 30 10 IJEE CC[C@H]1Cc2c(Br)cccc2CN1CC(=O)Nc1sc(C)c(C)c1C#N 1653434899 ANWTVPAUSSNOOH-HNNXBMFYSA-N 432.387 4.775 30 10 IJEE Cc1cccc(NC[C@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)n1 1653727835 HGYUJNICWSZYTJ-JOCHJYFZSA-N 448.615 4.700 30 10 IJEE CN(C(=O)c1ccncc1)c1ccc(CNc2cc(Br)c(C#N)cc2F)cc1 1655156351 FXDFIBBJJUIYOH-UHFFFAOYSA-N 439.288 4.744 30 10 IJEE C#CCOc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 1656271764 CTZHOTHMORAJHI-UHFFFAOYSA-N 441.281 4.919 30 10 IJEE C=C(C)Cn1c(SCCOc2cc(F)cc(Br)c2)nnc1-c1ccncc1 1656352392 SMTSMPCXUTYDMX-UHFFFAOYSA-N 449.349 4.989 30 10 IJEE C[C@@H]1[C@@H](N(CCC(=O)Nc2ccc(C#N)cc2)Cc2ccc3c(c2)OCO3)CCC[C@H]1C 1657131438 HIYBHXVVAQSULZ-MSYCTHLASA-N 433.552 4.942 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(NC(=O)c3ccc(C)s3)CC2)cc1OC 1658320241 GNCHAPSREJSULY-UHFFFAOYSA-N 434.989 4.678 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c(F)c1 1661173464 FKZVQUZDRHWBIG-QFIPXVFZSA-N 426.538 4.706 30 10 IJEE C=C(C)c1cccc(NC(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 1665180836 CNCNIKJUIZERSS-UHFFFAOYSA-N 445.542 4.902 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 1665741219 XRWGLOLHMARJHE-GOSISDBHSA-N 425.884 4.643 30 10 IJEE C=CC[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccncc1 1667281476 GZPIFIIKQABLEV-GBXCKJPGSA-N 442.519 4.596 30 10 IJEE Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)NCCc1ccc(C#N)cc1 1667408427 GERDFNRWIIUADR-UHFFFAOYSA-N 427.483 4.924 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1668655848 NNVUEAJGSWZJAI-UHFFFAOYSA-N 429.561 4.649 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1 1670376123 JUTSVJSDRXDWRZ-UHFFFAOYSA-N 443.447 4.567 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1)c1ccccc1 1670776043 XCECJJNCRNMIOH-OFVILXPXSA-N 449.595 4.578 30 10 IJEE Cc1ccc([C@@H](CC(F)(F)F)NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1671382045 AMNVLEDZWPJSJY-JOCHJYFZSA-N 444.501 4.824 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 1672212673 SQWXQTJKHLRONC-SXLOBPIMSA-N 431.374 4.886 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc2c1OC(F)(F)O2 1672214598 UPNGCVJCMQQXLP-UHFFFAOYSA-N 441.228 4.657 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cc(C(=O)OC)c(F)cc2Br)CCCC1(C)C 1674854023 ICGBDJNQOBVINE-INIZCTEOSA-N 427.314 4.973 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1ccccc1 1675603649 JVUYAZHDYXECFI-JOCHJYFZSA-N 430.552 4.733 30 10 IJEE C=C(Br)CNC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 1677680629 XPRBOKZFJDEECG-UHFFFAOYSA-N 439.737 4.506 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](C)Oc1cccc(Br)c1)c1ccc(Cl)cc1F 1679590000 UBFPBTHBXDWNDB-XIKOKIGWSA-N 439.712 4.683 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccn1)c1ccccc1OC)[C@H]1CCCc2ccccc21 1681254519 IFLVWUVLLJOTGO-AZGAKELHSA-N 425.532 4.902 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(CC)CC)Cc1ccc(Cl)c(Cl)c1 1681943378 IMNUVUMHAZHPRS-NQIIRXRSSA-N 442.431 4.828 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br)C1CCOCC1 1684034852 FMSDIYUQNAOHEJ-YADHBBJMSA-N 441.369 4.608 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1685889866 DNTSUWWBTZOJTK-AQNXPRMDSA-N 438.421 4.607 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)CCCC1(C)C 1686067456 VOMSZWIQEVQQGL-SFHVURJKSA-N 433.394 4.724 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(C)(C)C1CCOCC1 1687729897 VWOGXFFNOAMNSB-UHFFFAOYSA-N 427.358 4.739 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1689878265 CNBFBENQFHWKSN-UHFFFAOYSA-N 428.964 4.524 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1689904475 WWAMETIUIUXDKC-HXUWFJFHSA-N 442.991 4.567 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(CC)CCC(F)(F)F 1689952712 PZSOXSLGZAIRHF-UHFFFAOYSA-N 435.538 4.586 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1690162047 ZCGBMKVKQLWEBP-YADHBBJMSA-N 438.641 4.658 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1csc(CC)n1 1690177276 PMGZEUXDJQDHQB-UHFFFAOYSA-N 446.045 4.544 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1Cc1cccs1 1690196227 CCQZWGNQPPJVRH-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690237077 VDWWVPCZMQSGCY-LEOXJPRUSA-N 440.636 4.503 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCc1cccs1 1690243544 LZZPFIDLGVTDOA-PGRDOPGGSA-N 438.597 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1690247840 HCTCEGSOSHFXKS-JLMWRMLUSA-N 445.007 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CC)CCOCC1 1690255519 RVCAVTGMSLNXKA-UHFFFAOYSA-N 439.604 4.756 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(Br)C1 1690277390 SGSACFZOPBMWGI-UHFFFAOYSA-N 425.277 4.612 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCC[C@@H](C)C2)CC1 1690365892 KDDSGWXMIGTQHJ-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC)Oc2ccccc2F)CC1 1690379714 XGZYSLQYXPBGFG-IBGZPJMESA-N 441.576 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690406769 RUTOVVMUHUJWLP-QZTJIDSGSA-N 445.405 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC#N 1690430545 NFGXTAOTMPZEME-GOSISDBHSA-N 444.624 4.733 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1690489891 HVRYULABCAHNRR-UHFFFAOYSA-N 426.580 4.690 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1690502905 JSIFAURPWUONCQ-SIKLNZKXSA-N 426.605 4.839 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@H](SC)C(C)(C)C 1690607391 LNHVDDHSKSJJMA-HXUWFJFHSA-N 425.602 4.946 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1690637765 MBGQGMKQAREZBL-GOSISDBHSA-N 429.996 4.697 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCCC[C@H](COC)C2)cc1 1690680933 ADHYWDZHGWPBFF-QHCPKHFHSA-N 438.616 4.877 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)N1CCC[C@@H](C)C1 1705544815 FCHBCWYDNRFBJU-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705548727 RUFQLENSNKDSBV-LPHOPBHVSA-N 445.405 4.618 30 10 IJEE C=C(Br)Cn1c(N2C[C@@H](C)S[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1705692249 DCZVAHWJSFRJJF-IAGOWNOFSA-N 447.446 4.987 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCC[C@H]21 1705731932 ITYAXYIPJUCZJY-IEBWSBKVSA-N 431.378 4.597 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1705732140 OYPVWUUMSHNSEB-BWTSREIZSA-N 431.378 4.535 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CC2(C)C)CC1 1705764624 GIDQYAHWRPFSAJ-HNNXBMFYSA-N 431.378 4.919 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2cn[nH]c2)CC1 1705785413 HTEMBTYYXXHXTB-UHFFFAOYSA-N 428.993 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(C)C 1705789396 KBWJUGLXVBBLQX-UHFFFAOYSA-N 436.604 4.760 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705795165 DPMJXGUBGUIOAS-MXEMCNAFSA-N 430.637 4.804 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](CC)Oc2cccc(F)c2)C1 1705924559 XDIKMTQGCFOIGQ-PZJWPPBQSA-N 430.568 4.645 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnc(C)s1 1705948530 WKUYSAWPOODELD-UHFFFAOYSA-N 438.626 4.602 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1705948585 YAACAZAOZIDTAE-NRFANRHFSA-N 439.629 4.521 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nnc(C(C)(C)C)s1 1706069970 FRKAJPMWNDKDRL-LBPRGKRZSA-N 447.971 4.531 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1706943809 BBZKMCVKLHBKSL-MRXNPFEDSA-N 445.409 4.992 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CSCCS1 1722389081 ONNJUFIHYIORKR-OAQYLSRUSA-N 438.666 4.554 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1csc(C)n1 1722416534 MWNPBXYPAJIARW-UHFFFAOYSA-N 432.018 4.691 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@](C)(O)c1ccsc1 1722417836 VUCICNKTBVRVIJ-GAJHUEQPSA-N 426.561 4.540 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1722602444 AWYJISGWWGUDDF-OXJNMPFZSA-N 447.505 4.949 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722609872 HREJKWJDKCDLEC-PXDATVDWSA-N 442.579 4.808 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(C)CCO[C@H]1C1CC1 1722637711 VYPXXKXFSDDTFE-GHTZIAJQSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CCc1sccc1C 1722654576 QTLOBVLHARXFDO-OAQYLSRUSA-N 438.597 4.943 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H](C)C1 1722673657 ZIBPVABVVPMPKE-GGAORHGYSA-N 431.584 4.699 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@H]2C)C1 1722710834 OTMUCGAAAKUTSV-YVWKXTFCSA-N 445.405 4.925 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCC(C(F)(F)F)CC2)C1 1722718665 UDQJGVNWKUSKKM-ABHNRTSZSA-N 438.494 4.997 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C 1722735142 MWGQWOUICMTJAG-SFHVURJKSA-N 437.613 4.725 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1c(C)noc1C 1722735151 KGDJZMICEKIXTG-UHFFFAOYSA-N 434.569 4.654 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)o1 1727978050 IBUKQTUDSCLKSI-ROUUACIJSA-N 448.571 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(CN(C)C)c1 1740539184 NRFCDRMNOZURHL-RBUKOAKNSA-N 447.652 4.699 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740568744 OINSCBIZEYIPHK-VQIMIIECSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](COCC)C1 1740583991 BRXMAAOWNLFBHJ-QFIPXVFZSA-N 431.584 4.629 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740719642 PLRQIARBXUSKKQ-MSOLQXFVSA-N 430.568 4.530 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@H](C)C1 1740720313 UQDKYCRUMKFUMU-SFHVURJKSA-N 447.048 4.854 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)CC(C)(C)C1 1740724188 YHUGDXWFTJNFHG-LJQANCHMSA-N 426.630 4.658 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](OCCC)CC1 1740739955 GGDDJKKQDOEDHR-IBGZPJMESA-N 449.393 4.648 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCc2cccc(Br)c2C1 1740751929 QAAWRGKLPZLJHY-PXNSSMCTSA-N 445.405 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCC1CC1 1740757626 WQEOKJFMJSYSPY-PXNSSMCTSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCCC1(C)C 1740776539 TUBFEFWXRZVZNI-RUZDIDTESA-N 426.605 4.818 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](CC)C1 1740864563 BKAVJJLTIZAWRZ-SFHVURJKSA-N 449.393 4.591 30 10 IJEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CCO1 1744242440 CDSNRMGRSZAZMD-UGKGYDQZSA-N 429.515 4.648 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCc2sccc2[C@H]1CC 1749024325 MXXFPQWUEOUSDX-HXUWFJFHSA-N 438.622 4.895 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC(F)(F)C1 1749078168 GLGZSKWEHSCISP-WMZHIEFXSA-N 428.527 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N 1749122575 YAAYPQMYUWHDLE-JLMWRMLUSA-N 439.629 4.853 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2Br)C1 1749195070 FWBGQBJSIRYLSZ-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCCC2(CCOCC2)C1 1749370123 BZUDSWZUCWHSPM-UHFFFAOYSA-N 438.616 4.877 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccs1)c1ccccc1 1749377195 NSGXCTZOPPEINS-OAQYLSRUSA-N 449.624 4.614 30 10 IJEE C=CCCCCn1c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C 1749408662 LMKVNMRTQZAYGN-UHFFFAOYSA-N 444.023 4.938 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)cc1C(F)(F)F 1749473632 DKDFQWKFEDIUCR-UHFFFAOYSA-N 437.853 4.691 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC1(COC)CCC1)C1CC1 1749510985 PGWOTTCLVKMTRF-UHFFFAOYSA-N 437.407 4.741 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1749520850 AYJFJJANURVTEY-UHFFFAOYSA-N 441.501 4.989 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1749548777 JIRBSEWRQMOCAS-GHTZIAJQSA-N 427.643 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccs1 1749548881 MUMPHKZYCLXQGT-JOCHJYFZSA-N 444.626 4.683 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC1(C)C 1749592631 SAHVBUIIOHRFTH-CQSZACIVSA-N 437.357 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCCN1CCCC 1760106161 AEFLYLSLJHYUID-RBBKRZOGSA-N 430.600 4.606 30 10 IJEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)C1CCCCC1 1760138066 QPXMYBDGFXCXGI-NRFANRHFSA-N 449.647 4.661 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1760145039 HAYROQPDMLPYSM-PZJWPPBQSA-N 428.552 4.756 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1csc(CC)n1 1760225771 YDSBPZHPKYHPLT-IBGZPJMESA-N 437.613 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C1CCCCC1 1760340299 SQMIWSRIBXBSIU-FGZHOGPDSA-N 431.669 4.864 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1760377446 CBZSAQXQQYSYIN-AZUAARDMSA-N 435.037 4.935 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1760422776 LOJGGHHFKDRWLF-ROUUACIJSA-N 431.378 4.740 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760433783 MFVARUSVBHEMDW-ZFWWWQNUSA-N 437.407 4.739 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1760466689 FIIQDCWHFYRYIQ-SFTDATJTSA-N 425.621 4.544 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1760507875 MINMEKSMFZGQSP-RTBURBONSA-N 444.023 4.884 30 10 IJEE COc1cc(/C=C2/SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc(OC)c1O 1772737255 WYEOCGPMUBLQQP-LVTLTCAPSA-N 445.566 4.803 30 10 IJEE Cc1c(N=Nc2ccccc2C(=O)c2ccccc2)c(O)n(C[C@H]2CCCO2)c(=O)c1C#N 1772741436 MVUORDFJDGPAGI-GOSISDBHSA-N 442.475 4.559 30 10 IJEE Cc1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc([N+](=O)[O-])cc2)cc1 1859413562 HNWABKQGJSAQQY-UHFFFAOYSA-N 437.459 4.939 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1C 1860322479 PRUXYBMRCZACMF-VWLOTQADSA-N 441.579 4.985 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cc(CC)n(Cc2ccccc2)n1 1860997271 FLOZKVPIENXXMP-SANMLTNESA-N 440.632 4.869 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 1861160476 GDOTTWZEAHIZAW-QFIPXVFZSA-N 429.649 4.660 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(O)c2)cc1C 1862400847 OCPBETSKMSIEFO-QFIPXVFZSA-N 449.528 4.592 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862535276 XYQXIGRILLZFIX-HSZRJFAPSA-N 442.471 4.936 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Cl)c2)cc1 1862536086 QJBRYPNCMAUZKF-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862625717 MKOGMZXHIJAIKB-BVZALQNUSA-N 433.504 4.881 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862680979 OOMMTCIGSQWQCF-ZMZPIMSZSA-N 433.863 4.570 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC)cc1OCC 1862684411 WAKKSDHTSMUCRC-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCCO)cc1 1862723531 BZSKJGOVMUZKOS-RUZDIDTESA-N 441.527 4.877 30 10 IJEE CCCCCCCOc1cccc2c1C(=O)N(C[C@H](c1ccc(OC)cc1)N(C)C)C2=O 1865825880 XJIOHJSKBYWROQ-JOCHJYFZSA-N 438.568 4.943 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870111167 BNNNTIXVWISWLW-KBPBESRZSA-N 446.725 4.900 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 1870144406 BMILGDFYMISXCR-GOSISDBHSA-N 447.539 4.847 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCC(C)CC1 1870517717 STFYULBTVXOKTG-UHFFFAOYSA-N 447.664 4.736 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccccc1CC 1871015675 SWIHBFVAAXEQSV-UHFFFAOYSA-N 427.589 4.508 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1OC 1871395105 GLVILYQZTALZHE-MYYYXRDXSA-N 443.499 4.978 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871420515 AZKRONRYQAAPOE-XKZIYDEJSA-N 433.891 4.960 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871441835 LRSKYTPTPVPQMU-QRVIBDJDSA-N 445.446 4.970 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871443222 VLDWLRZVTLDELL-NHDPSOOVSA-N 435.863 4.988 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871909420 AGDSKWKXWGVMBT-MBSDFSHPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872013330 FLBZFVKQPPVSRC-JOCHJYFZSA-N 446.588 4.963 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872146812 XOFWONWGEPJRMS-JOCHJYFZSA-N 429.586 4.765 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1873309820 RHNQHGCBJRLQLG-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(N3CCC(C)CC3)cc2)[nH]1 1873469973 QNONTDPJXPRSRP-UHFFFAOYSA-N 439.567 4.815 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(N(C)C)cc1 1874225644 VQOCXICUWSRTFC-KOEQRZSOSA-N 437.613 4.967 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874258920 JWBUGFQNIQKGGC-BUVRLJJBSA-N 436.537 4.668 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1O 1874283133 QSOMAEFMJJWDDB-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1cccc(F)c1)Nc1ccccc1 1874420506 PLFSZMFSIFXOKW-YDZHTSKRSA-N 437.525 4.759 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1-c1ccccc1 1874428304 CFIIIMHUNBVUHG-AFUMVMLFSA-N 432.480 4.957 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c1 1874451103 RDUNBYHDDVWOKG-AOOMUMSASA-N 428.945 4.972 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccncc2)c1 1874451651 JXTSTZAAMQWVJT-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE CCCCc1nnc(SCCCO)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874479700 MWSZEOUFMCPKCZ-KOEQRZSOSA-N 438.597 4.865 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(C)nnc1SCC(=O)Nc1ccccc1C 1874531035 OHZUZQXBGJUTED-AFUMVMLFSA-N 445.548 4.670 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1OC 1874561080 CNZHRMMOMCQDNK-HZHRSRAPSA-N 426.542 4.606 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)OCC(C)C)c(C)c1C 1874586503 QJXSLMMMPJBGBI-ZRDIBKRKSA-N 426.509 4.795 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)OCC(C)C)c(Br)c1 1874610425 RRKYHJGJTYWIHV-CSKARUKUSA-N 447.325 4.932 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OCC(=O)OC 1874618717 PRTXJNFEKABHMG-CMDGGOBGSA-N 447.325 4.913 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1874619591 IIGHTGGFAQBFQH-PKNBQFBNSA-N 439.552 4.936 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 1874698576 DCXYVOQKCMRIIZ-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE Nc1cc(CS)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887515823 AOROZUUTVNSZTO-UHFFFAOYSA-N 445.588 4.770 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cccc(Br)c2Cl)c1 1891689327 HCMLZDBLJCLVRV-UHFFFAOYSA-N 449.776 4.761 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)ccc1Br 1898324297 KQLLIRNYPLGOGX-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@](C)(O)c1cccc(NC(=O)OC(C)(C)C)c1 1922074749 QHBPYBJRAZOPHH-RCZVLFRGSA-N 426.557 4.602 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1NC(=O)OC(C)(C)C 1943913830 WRDDBIZGXRDIHR-MBSDFSHPSA-N 431.533 4.776 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 1950072946 OAXYQWZCJBXMCI-TUVUNVSASA-N 431.508 4.859 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037432541 RARJBOFYQBVPKU-AREMUKBSSA-N 442.648 4.760 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Cc2ccc(Cl)c(Br)c2F)C1 2047924457 DFCCDGYTTNNZQQ-GFCCVEGCSA-N 432.717 4.967 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2047968381 RBTIZMZSPYRHBM-DLBZAZTESA-N 429.786 4.540 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@@H](NC(=O)OC(C)(C)C)COC1(C)C 2081878264 ZYDRXTXDTYROGH-UUOWRZLLSA-N 445.560 4.701 30 10 IJEE C#CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)c(Cl)cc1N 2084774834 IIOHMLPHYMYHBP-GOSISDBHSA-N 431.758 4.618 30 10 IJEE N#Cc1cc(Br)cnc1NCc1c(Br)cccc1Br 2094133084 CQLSIKOLBHVWLQ-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2110495261 OJELMPXQFXXNLZ-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2118191884 JXIAEPWDTNKTSD-MLGOLLRUSA-N 426.330 4.732 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCCC 2145543080 CRPRAZNYJSYENT-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCCC[C@H]1CN(c1ccc(C#N)c(Br)c1F)C2 2174821265 GJSWHUZFEMXEEC-XOBRGWDASA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNc1ccc(C#N)c(Br)c1F)C2 2182506415 SOHZYBZTKLYTCL-BJJXKVORSA-N 438.341 4.907 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@@H](N)C#Cc2ccccc2Br)c1 2235735650 ZXWUWYKHLHCEIX-SFHVURJKSA-N 431.330 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)C#Cc2ccccc2Br)C12CCCC2 2235745770 FRNRZQVHKQEMEM-IEBWSBKVSA-N 433.390 4.698 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](CC#N)C1 2243925197 RVPXDMWDGFQFLF-CLOONOSVSA-N 445.563 4.702 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C)C1 2255183552 CKLDGBBUDIUBNS-UHFFFAOYSA-N 443.544 4.587 30 10 IJEE CC1(C)OB(c2ccnc(Nc3ccc(Br)c(Cl)c3)c2F)OC1(C)C 2266052273 QMNMTRXGVIOEAY-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(Nc1ccc(C#N)c(Br)c1)C2 2270305109 BCMLOLOPFPESGB-HZPDHXFCSA-N 438.391 4.616 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccs1)C(=O)C#Cc1cccc(Br)c1 2278730559 OLYJACPSDCPUOE-QGZVFWFLSA-N 434.355 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(c3cc(Br)c(C#N)cc3F)[C@H]2C1 2290264021 NQTYCYFUAGGNNV-UGSOOPFHSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@H](O)C#Cc2ccc(Br)cc2)CC1 2296267045 OMDCTQKHGLZGQL-NCYVPVAZSA-N 440.353 4.585 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2ccc(Br)cc2)CC(C(C)(C)C)C1 2296276634 KEHDQMJPHPBCRK-ASNBIDDJSA-N 436.390 4.881 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2296295146 ABJFBIQPIKBMJP-YZGWKJHDSA-N 435.406 4.720 30 10 IJEE O=C(C=CNc1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cc1 2297452676 FIKACGORPWFUKK-UHFFFAOYSA-N 426.064 4.928 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2304614439 VRAZWHRHDOIOBB-DNRQZRRGSA-N 428.573 4.698 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2306366300 VGBFZVBFPVFGRW-CJFMBICVSA-N 430.589 4.993 30 10 IJEE CC[C@H](Oc1ccccc1C=C1SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(=O)O 2314928083 POMBFGGDMUYPIV-SFHVURJKSA-N 440.521 4.567 30 10 IJEE COc1cc(C=Nn2c(S)nnc2C2CCCC2)ccc1OCc1ccccc1F 2321928008 ITPBPHIQVXEWKH-UHFFFAOYSA-N 426.517 4.833 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2[C@H]2CCCO2)c1OCc1cccc(Cl)c1 2321935039 UMLCHLSMGCXIFJ-GOSISDBHSA-N 444.944 4.542 30 10 IJEE Cc1c(OC(=O)c2ccccc2Br)ccc2c1OC(=Cc1cccnc1)C2=O 2322711372 JCPOMYRKOAPCLD-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OC 2323437870 LGNFEFFNWRYNKM-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323882108 DCOKYJQGVJEWJD-UHFFFAOYSA-N 432.403 4.977 30 10 IJEE COc1ccc(C)cc1NC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2325471259 PZWKBHGPEPORII-UHFFFAOYSA-N 433.460 4.929 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(C)=O)cc1 2326252229 WKUJYFSDSFHRAV-UHFFFAOYSA-N 426.517 4.860 30 10 IJEE Cc1ccc(CCCC(=O)N[C@H]2CCN[C@H](C(=O)C=Cc3cccc(OC(C)C)c3)C2)cc1 2328263724 FWLGOHDLFGNHEX-AHWVRZQESA-N 448.607 4.624 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc[nH]1 2330075642 ASNLLZZYZLZUEP-SFHVURJKSA-N 444.564 4.679 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C1CCCC1 2331021357 OBZLUNFUQJXKQP-UHFFFAOYSA-N 425.583 4.919 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 2331129444 FTOHCZWPQVAUCY-LJQANCHMSA-N 445.855 4.627 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)C)n1N=Cc1c(Cl)cccc1Cl 2331708152 HKFLMBKKZJWKFQ-UHFFFAOYSA-N 429.373 4.882 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339543346 PTTDQZDTFNZJDD-HYSAVQALSA-N 443.397 4.785 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@]4(C)C3)nc2)OC1(C)C 2365110623 SSKBSNGRANZBEK-CMJOBOIDSA-N 445.416 4.685 30 10 IJEE Cc1cc(CNCC2(N(C)Cc3ccccc3)CCCC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679497 GHJYYZALCGNRNP-UHFFFAOYSA-N 448.460 4.829 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(OC)ncc(Br)c1C 2370385901 IBYBMNONXFKVQM-NVXWUHKLSA-N 442.398 4.671 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccccc2OC(=O)c2ccc3c(c2)OCO3)c(OC)c1 34954230 ZUPONFHCECPLFC-XFFZJAGNSA-N 432.428 4.548 30 10 IJEE Cc1c(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N 38623654 BIIPZUCNDUNUFY-YJBOKZPZSA-N 449.309 4.695 30 10 IJEE COc1ccc(Cl)cc1/N=C(\NCc1ccncc1)NC(=O)c1cccc(Cl)c1 45939516 IFZBWFRLTXEVOT-UHFFFAOYSA-N 429.307 4.604 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(F)cc2)n1 59014888 HRLPDYNRCWLWHA-WSDLNYQXSA-N 444.561 4.623 30 10 IJEE CC(C)(Oc1ccc(Cl)cc1)/C(O)=N/S(=O)(=O)c1ccc(Br)cc1 60489346 AQZCCNBYTALQCM-UHFFFAOYSA-N 432.723 4.605 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95085429 MYNSLJLBYARNIE-OAQYLSRUSA-N 446.551 4.982 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 103109926 DYEIMIVIKOYDTP-LCPUNJGISA-N 446.484 4.833 30 10 IJEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)S/C1=N/c1ccc(C(=O)O)cc1 103771122 PDKJWMQAZRNVGP-PHTAUWDTSA-N 448.456 4.577 30 10 IJEE Cc1c(Cl)cccc1/N=C1/SCCN1C(=O)CCN1C(=O)CSc2ccccc21 105393625 ADSTXQNOKRFBSV-XTQSDGFTSA-N 445.997 4.740 30 10 IJEE Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)C2=O)cc1C 110480327 WPDPGFOTSVXMDI-QFIPXVFZSA-N 440.503 4.662 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)cc1 169997595 NGTIRKPDVOLADD-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)cc1 170092871 VXMWKZQMOWWSBZ-LJQANCHMSA-N 437.835 4.503 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@@H]2c2ccco2)cc1 170098873 YSQQKIPVYQLPAN-OAQYLSRUSA-N 427.460 4.864 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 170144051 ULVKRLMEXOFNIY-HJPURHCSSA-N 429.472 4.690 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3cccs3)oc12 170157494 YBWVFJKZAPMWIZ-HXUWFJFHSA-N 447.468 4.991 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)c1 170202559 KARZAMCTKAHOOY-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)c1 170205210 OMJGGHAPPDDXKJ-HSZRJFAPSA-N 444.487 4.666 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(OCC)c1 170218464 PIHRGUADVNSUJO-JOCHJYFZSA-N 437.492 4.583 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(O)c(Cl)c1 170219851 XPLSMUKWTVROAY-ASSNKEHSSA-N 441.911 4.747 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)s1 170247063 SVVMVZDMXLHPGJ-KRWDZBQOSA-N 428.510 4.739 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F 170250412 FAOLGNBCAPEHPI-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2C)c1 170271560 JNWZFFCXQVPLEG-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE CC(C)[C@H](NC(=O)/C=C\c1cn(CCC#N)c2ccccc12)c1nc(-c2ccncc2)no1 207544843 YTWJZFUKBBNMLZ-AXKGWLQCSA-N 440.507 4.527 30 10 IJEE CC1(C)OB(CCC[C@@H](N)c2c(O)cc(Br)cc2Br)OC1(C)C 383837125 WYJUQZCDHKTRCP-GFCCVEGCSA-N 448.992 4.789 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1ccc(C(F)(F)F)c(C#N)n1 409731667 KMYBEYMKNKXHHE-UHFFFAOYSA-N 431.443 4.788 30 10 IJEE Cc1nnc(SCc2c(C(=O)NCC3CCC(C#N)CC3)oc3ccccc23)s1 441139551 IDZMHLUPTKDMOD-UHFFFAOYSA-N 426.567 4.945 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(OCC(F)(F)F)c3)CC2)c(Cl)c1 444852005 AYCHEMMXBBIDIT-UHFFFAOYSA-N 438.837 4.507 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 476165367 SVUYGQZRMYAIPZ-UHFFFAOYSA-N 426.582 4.578 30 10 IJEE C=CCn1c(N2CCC(c3ncc(C)s3)CC2)nnc1C(F)(F)Oc1ccccc1 508929105 FOKGVWLLSVVQAM-UHFFFAOYSA-N 431.512 4.741 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 509002886 UPDGUXRACWHPEB-QGZVFWFLSA-N 439.585 4.606 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 520144979 LYXSAPZUQHLYTE-KRWDZBQOSA-N 427.501 4.849 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 523047322 BBOCFLYXRRBMCT-HOTGVXAUSA-N 429.973 4.762 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])s2)c1 526517556 UPCSRMGAHVTIEQ-OAQYLSRUSA-N 447.472 4.984 30 10 IJEE N#Cc1ccc(CSc2nncn2/N=C\c2ccccc2OCc2ccccc2)cc1 526823660 YXVYKFSEPHZDRO-DICXZTSXSA-N 425.517 4.903 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526828517 GZCHBTXXWAQJEQ-KSEXSDGBSA-N 435.431 4.942 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccco2)cc1 526828607 MOZSKNHOLIHNIN-XYGWBWBKSA-N 446.532 4.617 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cnc1O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 548942022 UAFZAGSNQHDJSL-MRXNPFEDSA-N 437.315 4.927 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 549669471 IOIMKALLBJAEBA-SFHVURJKSA-N 433.478 4.720 30 10 IJEE C=CCn1c(Sc2ccc(Br)c(C(F)(F)F)n2)nnc1-c1ccccn1 553147731 PEKPCGITPJRBBK-UHFFFAOYSA-N 442.264 4.854 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2cccs2)C1 555249766 ZYLSFEMQJLQZMS-LPHOPBHVSA-N 428.533 4.773 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2cccs2)C1 558992171 SZPBGRZBNUPWGT-APWZRJJASA-N 428.533 4.773 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 569857875 LOPJEMQRGKUGTI-CQSZACIVSA-N 444.299 4.781 30 10 IJEE O=C(C[C@@H]1SC(=NN=C/C=C\c2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl 585657501 LWTVXADIWHQWKN-FUFURGAOSA-N 447.347 4.609 30 10 IJEE C=C(C)CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586144124 PCBJJUDFOVSVHJ-UHFFFAOYSA-N 431.598 4.811 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 609773275 UQOBJLHPDDDVMZ-UHFFFAOYSA-N 449.467 4.730 30 10 IJEE O=C(N[C@@H]1CCC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 681095150 ULLNPKLNEKLTHK-KGLIPLIRSA-N 446.338 4.995 30 10 IJEE Cc1ccc(C#N)cc1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687754224 OVSOBLQCOHGSNG-DEOSSOPVSA-N 426.472 4.921 30 10 IJEE Cc1ccc(CNc2ccc(I)cc2Br)cc1C#N 701826195 IZLFRZDGWWOFRD-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE C=CCN(C(=O)c1ccc(I)c(Br)c1)C1CCCC1 721364820 QBZRUQFVSZYVCS-UHFFFAOYSA-N 434.115 4.625 30 10 IJEE C=CCC1([C@H](Cc2cccc(F)c2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722909814 LQCLOFPRVANGIA-KRWDZBQOSA-N 441.385 4.922 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@@]3(CC=CCC3)C2)c1=S 733993264 ZEDYOFWWRUFKSB-QPPBQGQZSA-N 438.597 4.892 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc(C3CCCC3)nc2C)nc1C 742650669 BGWQOAGZSGKXGS-UHFFFAOYSA-N 446.627 4.860 30 10 IJEE CCOc1cc(C#N)cc(Cl)c1OC(=O)c1c(F)cccc1I 760303230 DKZQJIRMQUZREV-UHFFFAOYSA-N 445.615 4.573 30 10 IJEE Cc1c(NC(=O)C(F)(F)c2c(F)cccc2F)nnn1Cc1ccc(C(F)(F)F)cc1 764942095 RMISAOMACGZYEW-UHFFFAOYSA-N 446.326 4.662 30 10 IJEE N#C[C@@H]1CSCCN1C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 775496416 UJLYRLSBCIENPJ-MRXNPFEDSA-N 438.350 4.745 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C(C)C)c2ccccc21 809892533 AJJRYAWLODXRSP-OAQYLSRUSA-N 431.540 4.782 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)n2)[n+]2ccc3c(c2)CCCC3)c1 811725199 ZMMWHGFTNBJGGV-UHFFFAOYSA-O 442.564 4.561 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 812184091 KNVSDKCTQPQSRM-NZQKXSOJSA-N 445.567 4.663 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1cc(F)ccc1F 916981376 PNWNBGSBIPXZCW-SFHVURJKSA-N 437.899 4.800 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(OC)cccc2OC(F)(F)F)cc1 1125466031 MQNIBADJODPQHZ-UHFFFAOYSA-N 434.414 4.660 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCC(=O)Nc2cccc3ccccc23)s1 1125688653 CATDMBIDVGJNNY-UHFFFAOYSA-N 445.997 4.747 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)C2)c(F)c1 1126274737 DTGYDGVDBPGZCM-ZCYQVOJMSA-N 443.522 4.598 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nnc(-c3c(F)cccc3F)s2)cc1OC 1132224383 LCUPQTOWVXUAHZ-CSKARUKUSA-N 429.448 4.709 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 1137176028 IPEMMTIGUGDNKC-LZBANZJXSA-N 435.653 4.595 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 1139920509 XSVUNGGSSLWXMX-UHFFFAOYSA-N 426.563 4.767 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1O 1143300455 PAMKIMWIALBBIV-UHFFFAOYSA-N 443.656 4.684 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 1143507123 JGHGWSRYHNTCAW-NRFANRHFSA-N 436.335 4.709 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(Br)c2C1 1150696117 TVCWUESNLPWYEI-GOSISDBHSA-N 437.378 4.583 30 10 IJEE C=CCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1C(C)C 1164587248 BVSICAINULNGRI-UHFFFAOYSA-N 434.565 4.767 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 1194197918 YMCBOOWHCUFVIM-KRWDZBQOSA-N 439.331 4.733 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N(C[C@@H](O)COc1cccc2ccccc12)C(C)C 1214885489 AWEQESRMOMDPSN-OAQYLSRUSA-N 447.535 4.792 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1 1252969919 BFAYLGURGAKJLJ-MOPGFXCFSA-N 433.618 4.727 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCCC[C@H]2C1 1256706035 PXYKIHDCXSHZGW-BGYRXZFFSA-N 429.609 4.595 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1264764478 HSIMLTAATFOTHX-QFIPXVFZSA-N 440.584 4.853 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCCC 1286300550 BEDDEGXZYOZOOX-PZJWPPBQSA-N 444.023 4.623 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1286318405 UYCDVSUYFYAGOC-BEFAXECRSA-N 438.790 4.817 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CC1CCC(C(F)(F)F)CC1 1286423944 PXBYIJAYOZEEPF-UHFFFAOYSA-N 439.485 4.648 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(C)cc2)nnc1N1CCSC[C@@H]1C 1286546789 FKDPCNJWZIEOTR-HNNXBMFYSA-N 439.448 4.729 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1286561188 LYSQBDGYKCDGSP-XQFWAAQXSA-N 433.556 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1286645182 XWJCSXLRVWAOGV-UHFFFAOYSA-N 443.473 4.794 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286678010 NZBABNLAWOCRKD-LEWJYISDSA-N 439.604 4.865 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1286679582 ROSOAVBCDZUWJP-OZXSUGGESA-N 431.584 4.629 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 1291861570 GGEWLDXTRHRGLN-UHFFFAOYSA-N 435.524 4.742 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 1291871503 VTSJLJKVJVIHFH-HXUWFJFHSA-N 442.357 4.506 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 1293526260 TZOPTDANSYVLTN-UHFFFAOYSA-N 432.545 4.984 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@H](C)C2)cn1 1294952115 CNQWHEPUYKCOFI-RBUKOAKNSA-N 430.556 4.531 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(SC)CCC1 1300275540 WAGYQENURCVCHA-ZWKOTPCHSA-N 428.602 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1300286268 HBIWOJRYCVUIJT-MSOLQXFVSA-N 436.991 4.581 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1300996296 CBJCNPBIPIVORH-UHFFFAOYSA-N 437.632 4.547 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1301077998 JCOMZHRSVXSVAS-UHFFFAOYSA-N 433.556 4.537 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1301095692 MAUHNRCSUAJGEP-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1301119799 XCSGSPZDDPCSFY-NHCUHLMSSA-N 446.643 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC=C(COC)CC1 1301138685 CIPFZTZXRFPQSE-UHFFFAOYSA-N 432.572 4.720 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC=C(Br)C1)c1ccccc1 1301168875 VRGNZIOUSHOLQE-UYAOXDASSA-N 443.389 4.978 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@H](C)C1 1301176089 PELVGUYVPQHOLI-SFHVURJKSA-N 444.649 4.529 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CCCNc1ccc(C(F)(F)F)cn1)C1CC1 1301317781 YXMIBUVXZDVYRW-UHFFFAOYSA-N 446.477 4.917 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCCC1 1301373408 VYLWJXOTLJMWRY-UHFFFAOYSA-N 431.584 4.836 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1301601806 JHVIPYSPHKWVKC-DLBZAZTESA-N 436.025 4.553 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1306849591 WYCIQLHMCNWXOJ-VQTJNVASSA-N 435.326 4.768 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(c3ccc(C#N)c(Br)c3F)C2)C1 1307133675 IXIKAJMHJKYKGJ-HXUWFJFHSA-N 438.341 4.687 30 10 IJEE CC[C@@](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)(C(=O)OC)c1ccccc1 1310292627 HDIBKPIZVCILNH-SBUREZEXSA-N 425.554 4.581 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nc(-c2ccccc2)no1 1310517080 VSFFYYYFAHBSDF-UHFFFAOYSA-N 431.265 4.858 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)cc21 1311252121 LEVLOCDXZHJOLL-IBGZPJMESA-N 439.560 4.666 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 1312239711 ZPMWANBXEPKHOG-JDFRZJQESA-N 436.375 4.524 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)C1 1325269104 QJKUSXRKOBWOHD-CZUORRHYSA-N 436.375 4.620 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3c(Cl)nccc3o2)c(C(=O)OCC)c1C 1349739275 OTQYHWIYRUNEFI-UHFFFAOYSA-N 448.884 4.623 30 10 IJEE COc1ccc2c(c1)c(C(=O)Nc1c(C#N)c(SC)nn1-c1ccccc1)c(C)n2C 1352172836 GQRRINBCWZEMDB-UHFFFAOYSA-N 431.521 4.527 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cnc(C(C)(C)C)s2)c(C(=O)OCC)c1C 1352311862 MIUJHIQQXMFNJQ-UHFFFAOYSA-N 436.555 4.582 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCN(Cc3ccccc3)C2)cc1 1355151566 HFHMOSYLJVMCHM-RUZDIDTESA-N 427.523 4.748 30 10 IJEE Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3cc(C#N)ccc3F)cc2Cl)n1 1355958411 GLPHIMUAFGPEEP-CQSZACIVSA-N 439.878 4.616 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](OC)C(C)(C)C 1358879125 LOKUWWWGIYPRHO-GCJKJVERSA-N 436.556 4.636 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1358982141 LUWJGOMIRMWJEY-FKBYEOEOSA-N 430.596 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C)CC1 1359093909 VBGPSYVGEBUKLG-QAPCUYQASA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(COCC)n1Cc1c(C)sc(C)c1Br 1359116314 GQWWQUXXBKZHFR-UHFFFAOYSA-N 427.412 4.706 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1359116824 AIYGIZDVHVHSAP-OAQYLSRUSA-N 425.577 4.513 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC2(CCC2)C[C@@H]1CC 1359137734 YYFWUHAUZKKIER-PWRODBHTSA-N 430.637 4.948 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCOC2)CC1 1359162016 ZVKCRHOLLIGCKO-QGZVFWFLSA-N 431.378 4.599 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOCCCC)CC1 1359169726 SQCRZVOYCSVCBU-FQEVSTJZSA-N 447.624 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1359186585 LFXUJCBUMPQSAR-HXUWFJFHSA-N 440.979 4.512 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CCC)C1)c1ccccc1 1359195802 RWMQKKLXRVXKRR-ZEQRLZLVSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CC(F)C1 1359212032 XSQMLYLYPONHHI-UHFFFAOYSA-N 437.357 4.867 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccncc1Cl 1359243358 OSDCUGCCMFGJJA-UHFFFAOYSA-N 446.382 4.970 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCC1 1359254897 HFHNIKUWBHIHBS-UHFFFAOYSA-N 425.621 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccco1)N(C)C 1359269861 SDWJTYPNVYEZKD-QFIPXVFZSA-N 430.556 4.511 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1359341495 YQANLYHLTFKUMC-SFTDATJTSA-N 439.629 4.985 30 10 IJEE C#CCC1(C(=O)N(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)CCCCC1 1435914827 VMCLSYOFOLITRG-IBGZPJMESA-N 448.401 4.939 30 10 IJEE C#CC[C@]1(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3n2C)CCCN1C(=O)OC(C)(C)C 1457181836 AWZJPKVJBZMLSN-NPMXOYFQSA-N 445.947 4.624 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCCOc1ccc(C(=O)OC)cc1Cl 1458900290 NJWJHRIFFZBGKF-UHFFFAOYSA-N 443.956 4.666 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1460845100 UEWILJUJKMSOLE-QPPBQGQZSA-N 447.579 4.907 30 10 IJEE C=CCOc1cccnc1C(=O)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21 1462849268 GLRXGCGNSFAYAD-MRXNPFEDSA-N 429.314 4.585 30 10 IJEE COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)c2ccc(Cl)cc2C#N)cc1 1462943189 BVIPZCRBBILTHN-OAQYLSRUSA-N 444.915 4.622 30 10 IJEE C=CCCCS(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 1463497038 JMPDLVLKLVPPOR-HXUWFJFHSA-N 427.488 4.537 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 1465381041 CVMIPMFEIXLNGM-YJYMSZOUSA-N 432.318 4.617 30 10 IJEE C=CCN(C(=O)c1cc(Cc2ccccc2)ccc1O)[C@H](Cc1ccccc1)C(=O)OCC 1466893122 PPAWHKXKTDXYFD-RUZDIDTESA-N 443.543 4.786 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 1466914946 PBGPJNJIEILKGU-OAQYLSRUSA-N 445.357 4.553 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](COc1c(C)cccc1C)c1ccccc1 1468849364 XFPXNXLJCCCNLV-XMMPIXPASA-N 428.532 4.935 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1csc(NC(=O)OC(C)(C)C)n1)c1ccc(F)c(F)c1 1469857570 VQQHZBZGSUPHCP-MRXNPFEDSA-N 438.500 4.885 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCC[C@H]3c3cc(F)cc(Br)c3)C2=O)cc1 1473363693 DBOCJATWZKEGLF-SFTDATJTSA-N 442.332 4.792 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1478054332 SITLXJAEBICZJT-PMACEKPBSA-N 429.511 4.743 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H](C)c1ccccc1 1507519498 IAVSYDVMPWPJLW-IAGOWNOFSA-N 440.389 4.698 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CCCC(C)(C)C)c1 1507552038 JLIAQRWNDBCBNB-UHFFFAOYSA-N 449.624 4.813 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1Cc1cccs1 1507595449 QEWDEOCZAQIXTR-IBGZPJMESA-N 436.581 4.552 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507611947 STUCHXFNIVYXKI-FGZHOGPDSA-N 437.632 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)Cc1cccs1 1507671343 HHLPURRXCZYMBD-FQEVSTJZSA-N 441.604 4.753 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](SC)C1 1507752727 CVFYCKRRGRITHT-IBGZPJMESA-N 435.062 4.611 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccccc1F 1507786790 DFPDZOCFIJRSGH-HNNXBMFYSA-N 430.325 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1cnn(CC)c1 1507805313 MPBJIZLHKNODKQ-HJOGWXRNSA-N 448.615 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)[C@@H](C)CCc2ccc(O)cc2)nnc1C(C)(C)C 1507811524 RWEIYZRUEOKKLC-VCOUNFBDSA-N 426.605 4.720 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1507827648 ZQURGAGHRVRWBA-CRAIPNDOSA-N 431.968 4.524 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(C)C)CC1 1507840328 ZHOSPAGXTBOYHD-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCSCC(F)(F)F)CC1 1507886875 HOLSFYOYHHGABB-UHFFFAOYSA-N 440.535 4.524 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@](C)(O)c2ccsc2)CC1 1507904834 PSQGONBSDCTINU-VWLOTQADSA-N 436.625 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCc1cnccn1 1507912792 QOARYQOBVQMQQB-UHFFFAOYSA-N 427.556 4.565 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nnc(C(C)(C)C)s1 1507968684 XUKMPIRWIAFAMQ-KRWDZBQOSA-N 440.617 4.854 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)OC 1508012217 YYCKTSPWQNQXOA-RTBURBONSA-N 432.634 4.876 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@@H](O)C1 1508012322 VTEFBVTXZFMUSB-IEBWSBKVSA-N 445.405 4.746 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1508025929 ULIJMKMKTPEKAK-UHFFFAOYSA-N 449.643 4.819 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CC=C(C(F)(F)F)CC1 1508106140 VONOUYGROGVCIH-FQEVSTJZSA-N 448.489 4.832 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCCc2nc3c(s2)CCCC3)C1 1508108867 JEVSQORNXRZTEM-QZTJIDSGSA-N 429.634 4.541 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N)OC 1512747209 BVRWAAGLFAPJCA-DFEOGRTESA-N 429.634 4.931 30 10 IJEE COCCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N 1518938246 CZPZLAXZUYIOAX-ZDUSSCGKSA-N 440.411 4.570 30 10 IJEE N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1528079593 CEDMPVOZIHAYGZ-KUHUBIRLSA-N 427.298 4.941 30 10 IJEE C#CCN(C(=O)[C@H]1CCc2cc(F)ccc21)[C@H]1CCOc2ccc(Br)cc21 1529627815 YSZNDTMEYPGBOK-ICSRJNTNSA-N 428.301 4.604 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 1533599863 VEFIRBVYHZCEHS-FQEVSTJZSA-N 449.469 4.896 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)c1ccccc1 1537026695 JISVWVOHWYNICI-UYAOXDASSA-N 426.944 4.915 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC=CO1 1538970565 CKMJSBMQCZLTCJ-BJLQDIEVSA-N 428.964 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCSc1nccs1 1538970730 FASATVKGWJRZPE-JKSUJKDBSA-N 445.589 4.654 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1C[C@@H](C)O[C@H](C)C1 1539246148 PFCJAFWYZGDSTB-RTBURBONSA-N 436.625 4.552 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC=C)Cc1ccccc1 1539530584 JIIKRKPHGONPTP-FGZHOGPDSA-N 438.641 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCc1cccc(C)n1 1539566389 JLRKRIGIXVPJRQ-RUZDIDTESA-N 449.986 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCS[C@H](C(C)C)C1 1539648193 ZXCOYKZWPIGDRW-GPXNEJASSA-N 440.657 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(C)c1 1539652112 NXSFQLKXXKKPSA-UHFFFAOYSA-N 428.378 4.989 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@](C)(OC)C1CC1 1539660300 YEPDTRWSVKANRP-NRFANRHFSA-N 433.394 4.925 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(CC)C1)c1ccccc1 1539948000 NPACQSQWNQFAGN-JYFHCDHNSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CCOC2)C1 1539954061 RDEGLBRMXWHJET-QFIPXVFZSA-N 445.405 4.989 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1nc2cccc(Cl)c2n1C 1540182351 PRXQWHUCKWXQDU-UHFFFAOYSA-N 438.963 4.818 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)C(C)C 1540182396 QUGQYRZPRXOMFR-VWLOTQADSA-N 434.540 4.926 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 1540659481 HPTQYRAUBIWMBF-UHFFFAOYSA-N 436.449 4.757 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H](C)N2CCCCC2)C1 1540887009 NPSLUKPKRFYUHM-KNQAVFIVSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1540916018 RDIVUKLVJVIRHX-LEWJYISDSA-N 428.602 4.789 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2noc3c2CCCC3)cc1 1542502114 DDMTXEUKKKBYCI-KRWDZBQOSA-N 436.585 4.532 30 10 IJEE CS(=O)(=O)c1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)ccc1F 1544806953 HQJFJKSQSMWFLV-UHFFFAOYSA-N 426.494 4.504 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(I)cc2)cc1 1547460396 WORGULNRSNIMEP-HXUWFJFHSA-N 447.316 4.762 30 10 IJEE CCOc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CC1CCC(F)(F)CC1 1547995691 BZPCHKOXDXYKGO-QGZVFWFLSA-N 447.530 4.677 30 10 IJEE COC1(CCn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@@H](C)CC#N)CCC1 1554707076 GGNYIYZBGQPEAY-SJORKVTESA-N 427.618 4.829 30 10 IJEE N#Cc1ccc(Br)c(Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)c1 1559430347 ICLUIQREHLBZDZ-UHFFFAOYSA-N 430.714 4.784 30 10 IJEE C#CCN(Cc1cc(Br)cc(Br)c1N)[C@@H]1CCc2ccccc21 1560701312 JGRMUORIMBEYJV-GOSISDBHSA-N 434.175 4.917 30 10 IJEE CCCc1c(NC(=O)NCc2cccc(CN(CC)CC)c2)cnn1-c1cccc(C#N)c1 1562643367 GGLWLUKJTCLHQW-UHFFFAOYSA-N 444.583 4.860 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 1563486776 OWQRVWUWCKJZBJ-PTLVVNQVSA-N 428.580 4.857 30 10 IJEE C#CCCCCNC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1566392962 OWKJNLAFCRHHLH-VWLOTQADSA-N 430.548 4.710 30 10 IJEE CC#CCN(C)C(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1569822913 RPOLAJHKGNQKSX-OAQYLSRUSA-N 444.575 4.909 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)CN(C(=O)OC(C)(C)C)C1 1585395327 IOKWKLKQCMGTCT-INIZCTEOSA-N 428.529 4.740 30 10 IJEE C=CCCC1(CNC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCCC1 1586149470 PYLQZMZERDNLSB-FQEVSTJZSA-N 429.630 4.581 30 10 IJEE N#Cc1ccccc1N(C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)C1CCC1 1587309696 CAPAPTVXWVHSPG-UHFFFAOYSA-N 430.529 4.731 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1587783243 MPHLCLCYZBAUNU-UGKGYDQZSA-N 447.410 4.989 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(C#N)C1 1593711661 GJYYWCQJNSCICQ-XMMPIXPASA-N 439.629 4.998 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1594023695 NETIWYNARQUEIO-UGKGYDQZSA-N 438.563 4.691 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCC(F)(F)C1 1594552612 PDTLPMSTDUIBIJ-LJQANCHMSA-N 437.579 4.912 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1594591246 PDVNRCHSJQHHSQ-GOSISDBHSA-N 425.968 4.597 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)c1cccs1 1594692700 CZRRJTQQRJWXSN-MRXNPFEDSA-N 430.599 4.574 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2F)CC1 1594775654 VTBZRACIVJKNIL-DENIHFKCSA-N 441.595 4.629 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NC1CCCCC1 1594896616 ZUBFUXOLWZLASD-UHFFFAOYSA-N 441.645 4.737 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C 1595166953 ZVIGATPPPSCQND-GMAHTHKFSA-N 437.632 4.647 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCC(F)(F)CC1 1595303639 WYZVFKYGKLKTBJ-UHFFFAOYSA-N 438.950 4.987 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C/C=C/CC)C1 1595699992 JSMPOOYNLCODGU-JFDDCEBESA-N 435.341 4.594 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2C)CC1 1595894873 AVCACLUVAYBPLQ-UHFFFAOYSA-N 425.646 4.565 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc4sc(C(=O)OCC)cc4c3)n[nH]2)c1C 1596597715 QFOHDGSJEIFGGQ-UHFFFAOYSA-N 449.536 4.720 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)CN(C(=O)OC(C)(C)C)C1 1609998529 YYYAWLAPCHELSN-UHFFFAOYSA-N 430.545 4.702 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2O)nnc1-c1ccc(Cl)cc1 1610900258 QWWJEVNWQDPQJW-UHFFFAOYSA-N 435.336 4.874 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSc1ccccc1 1611319202 CUOAFVQUIAENLA-MISYRCLQSA-N 427.618 4.727 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(OC(C)(C)C)nc2)o1 1612034495 CVJXGYKLOMHSHH-DEOSSOPVSA-N 434.544 4.597 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(CCc3ccccc3)nnc2N(C)[C@@H](C)CC#N)C1 1612662029 BVDLIOSEKWPZCR-BDTNDASRSA-N 436.648 4.558 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1613137643 FVAJMGMATSHHNA-FDDCHVKYSA-N 437.588 4.526 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)CN1CCCC1 1613459042 FWLFGZSREUKPLP-HSZRJFAPSA-N 434.632 4.682 30 10 IJEE N#CC1(C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccc(F)cc1 1614015161 UMKIANLKPSQYQU-NHCUHLMSSA-N 433.483 4.618 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](COCc2ccccc2)C1 1615659292 CGBVXFALAZSWDJ-QUCCMNQESA-N 437.609 4.754 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCc3[nH]c4ccc(C(=O)OC)cc4c3C2)cc1OC 1621267215 RMZLZXLQIQBWOK-UHFFFAOYSA-N 440.927 4.740 30 10 IJEE COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1sccc1C#N)CC2 1626073725 FDIVYRHHDNHAAJ-IBGZPJMESA-N 425.535 4.878 30 10 IJEE C=C[C@@H](C(=O)NCc1cc(Cl)c(I)cc1OC)c1ccccc1 1635343023 PIYPDEFPMQTGDR-CQSZACIVSA-N 441.696 4.539 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1)c1ccc(Br)cc1 1636563343 XGFJUGDIZCPKMY-RTWAWAEBSA-N 426.358 4.736 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 1637678573 NMYSAZQTPACQAV-OAHLLOKOSA-N 439.350 4.646 30 10 IJEE Cc1cc(NC(=O)CNc2ccc(C#N)cc2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F 1638022335 AOBGKNUNMAEQEI-KRWDZBQOSA-N 430.483 4.547 30 10 IJEE C#C[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1638644242 MZLBEODPWKTEPW-MRXNPFEDSA-N 432.973 4.577 30 10 IJEE C=C(CC(C)C)C(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1640979202 VVYQAQGLBMEWPU-HXUWFJFHSA-N 428.573 4.998 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)CCOC 1649607125 FXXMYDPZADNZKN-VWLOTQADSA-N 439.604 4.612 30 10 IJEE C=CCOc1ccc(CNCc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 1659182929 JYWYLKWIRXFYGO-UHFFFAOYSA-N 429.492 4.961 30 10 IJEE C=CCOc1ccc(CN[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cc1OC 1662989255 DGQHGMXHYHDCRA-VLCRHTCISA-N 430.589 4.774 30 10 IJEE CSc1ccc(Br)cc1CCNC(=O)Nc1ccccc1O[C@@H](C)C#N 1668207159 DLXQPNOWZLUMIK-ZDUSSCGKSA-N 434.359 4.826 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1668313519 KTVQBFKPZWTZBC-XMMPIXPASA-N 428.532 4.833 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(OC(C)(C)C)n1 1670846073 ZGJDIDYOCFBLMM-UHFFFAOYSA-N 434.334 4.908 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccnc1OCCCC 1672210553 XBQSFBUILJJYLA-UHFFFAOYSA-N 434.334 4.910 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cnc2ccccc2c1Br)C(C)C 1674257293 FJEWNWKDEXVPBI-LJQANCHMSA-N 431.378 4.817 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1 1676881452 XRQDISFDGLDOMM-LJQANCHMSA-N 431.330 4.994 30 10 IJEE C=CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 1679222859 JWGAHDBUTOMRON-UHFFFAOYSA-N 435.490 4.544 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 1684428186 BZJGFQNGEPDTAZ-ZHHKINOHSA-N 440.588 4.551 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12 1687727992 KEQFLGZPBPRCBF-UHFFFAOYSA-N 444.485 4.933 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@H]1C 1690026941 SBVSXRACMUXJPZ-IAGOWNOFSA-N 431.367 4.673 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1690174403 CFJSRQWRZZCWRN-NRFANRHFSA-N 444.620 4.558 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1690241218 QBSNSWCJFHKSLD-FYYLOGMGSA-N 431.540 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC2CCCCC2)CC1 1690249342 XGHNIFWBHPAVGK-UPVQGACJSA-N 443.680 4.550 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCCN(c2ncccc2F)CC1 1690457225 TURAIQHDEQFVRJ-UHFFFAOYSA-N 434.563 4.861 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1690461361 YNRSIYMGJKWIMZ-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]2CCCC[C@@H]2C1)C(C)C 1690583414 JVIMAWFKZGUIJG-MOUTVQLLSA-N 441.664 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCO1 1690586709 SRNWLHNCZOHUNR-SFHVURJKSA-N 431.378 4.764 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1690738777 YBTWJAIHTXDGJD-HOTGVXAUSA-N 433.419 4.719 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705524437 LUDMODKSTAMKLP-AEFFLSMTSA-N 432.490 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CCc1ccc(OC)c(Br)c1 1705667369 SCJXNZDWMDXWAT-KSFYIVLOSA-N 445.405 4.798 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C)[C@@H]1C)c1ccccc1 1705743964 MUVHZAXUVSDJKX-IRXDYDNUSA-N 425.627 4.677 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1705745724 GMRAIAVQZIEWRS-LPHOPBHVSA-N 437.009 4.825 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCc2cc(Br)ccc2C1 1705803710 AKTDSHMWYDXXLL-UHFFFAOYSA-N 426.362 4.955 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OCC(F)(F)F)nc1 1705836296 NKVVQUKBSBLHAP-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(C)cc1)C1CC1 1705851735 QBBYRIDUJPNROY-UHFFFAOYSA-N 426.362 4.742 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1705858483 ODSUTDRYLBTVHG-FQEVSTJZSA-N 446.542 4.734 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCc1cccs1 1705889808 FXYLXGUSLWVIEA-GOSISDBHSA-N 445.633 4.709 30 10 IJEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(COC)CCC2)C1 1709269138 BPBTVRGURAWFPV-HXUWFJFHSA-N 437.588 4.562 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722322047 IPBQUYHFBMKMKA-VQTJNVASSA-N 440.613 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CSCCS1 1722404042 OEDCIDMTOAFHSC-AWEZNQCLSA-N 427.426 4.560 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](Cc1ccccc1)OC 1722404926 GXQPHRKECRZSKC-SIKLNZKXSA-N 448.636 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)CCOC 1722467649 UZOOHCARZGGWMT-MHECFPHRSA-N 428.552 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)F 1722492792 VATRYFCYICKGEC-QINHECLXSA-N 438.494 4.630 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722520389 LNYOPQKMIFCMAE-FQEVSTJZSA-N 425.577 4.529 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCc1cccs1 1722533529 AKEDKVIMHPORDQ-UHFFFAOYSA-N 435.597 4.770 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1722581069 GWGBFGYEXFEQMK-LJQANCHMSA-N 431.625 4.669 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCSC2(CCOCC2)C1 1722621479 VSENOQOVQLSANK-UHFFFAOYSA-N 449.020 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCCCCC1=O 1722667305 DESTVTIWYOHWCJ-UHFFFAOYSA-N 445.970 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1nc2c(s1)C[C@H](C)CC2 1722669920 RMGPGCNSSPUXBS-QGZVFWFLSA-N 435.597 4.762 30 10 IJEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1726424984 FBOFINYIAWDNAD-LAUBAEHRSA-N 448.571 4.591 30 10 IJEE CO[C@@](C)(Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1729820270 HSLAKFGWOGZVEZ-BVZFJXPGSA-N 439.604 4.708 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC[C@@H]1C 1740680951 UACNPLIVYOGRFJ-FHWLQOOXSA-N 426.630 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cnn(CC)c1 1740777129 NPWWZOMUBHSJJY-UHFFFAOYSA-N 436.604 4.822 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1740803208 VAUBMPPROAZDIB-AREMUKBSSA-N 431.584 4.619 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC(C)C)CC1 1740842915 QEEGOBPZELHOJT-BGYRXZFFSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(NC(C)C)CC1 1740850951 SHCKICSUDVLHMA-UHFFFAOYSA-N 434.632 4.850 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1740854448 GUWOBIHIOTYZHK-ZLNRFVROSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC=C(Br)C1 1740861055 ZRUHZQYKTIUDGK-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC(Oc2ncccc2F)CC1 1740864761 OMOBHCBPMHPOQW-UHFFFAOYSA-N 441.576 4.869 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1sccc1C)C1CC1 1740915329 CCPOOSGQPFJOCI-CALCHBBNSA-N 443.617 4.622 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1Cc1ccnc(SC)c1 1740916778 XGROLBLBZIDGQT-UHFFFAOYSA-N 432.597 4.706 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1ccncc1Cl 1740917983 IJVUBRRJYYHGBA-UHFFFAOYSA-N 430.943 4.553 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC=C(C)C)C1 1740973632 AUYXMKRILTWNON-KRWDZBQOSA-N 449.368 4.984 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCCN2CCC)C1 1740975037 RDRFWSIBWNUWOU-VXKWHMMOSA-N 444.023 4.644 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2CC2CCOCC2)c1C 1742026951 BSRFJSUFTPUBOR-HXUWFJFHSA-N 437.588 4.592 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1748416201 HAGCQNOVUPIAMK-DYESRHJHSA-N 445.995 4.873 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(OC)CCCC1 1748679733 IKFMZHHSEBJGOQ-LJQANCHMSA-N 445.007 4.669 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)Oc1cccc(C)c1 1748775360 JWEVKYFQRNKWOC-RBUKOAKNSA-N 434.609 4.977 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(CSC)cc1 1748775962 YSXCRGACRDPPPU-UHFFFAOYSA-N 447.427 4.750 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCC[C@H]1C 1748939133 QPOCAHHPGBAPDY-LJQANCHMSA-N 446.064 4.948 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(C)CCCS1 1749056712 QGBIDJPCKHSHNO-FGZHOGPDSA-N 432.540 4.824 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1749345294 BODLPEJDVZYNKQ-UHFFFAOYSA-N 430.980 4.742 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CSCCS1 1749384193 UQGWEYKAOLLMNN-HXUWFJFHSA-N 427.643 4.848 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC(C)(C)C1 1749390469 GCRFDLLJZIAZNY-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCCO1)C1CC1 1749512364 ZTKUAMLZUPWYLZ-MRXNPFEDSA-N 435.341 4.571 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1Cc1nccs1 1749540919 FZMSFHRGJHNTDW-UHFFFAOYSA-N 440.935 4.830 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccccn1 1749747190 VQQCKORDDOFMJK-UHFFFAOYSA-N 429.977 4.558 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](CC(C)C)N(C)C 1760126048 XGIHTWDEBKJIAW-IEBWSBKVSA-N 434.053 4.658 30 10 IJEE C#CCCCCn1c(-c2cnccn2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1760135260 OYAFWFJLKFRDSX-UHFFFAOYSA-N 426.524 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1N(C)CCCC1(C)C 1760289445 OUTBRFWATUKCBE-QSEAXJEQSA-N 433.644 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccsc1 1760321030 ATMSBYIJYVQDFL-VGSWGCGISA-N 444.551 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN(C(C)C)C1 1760334119 RCPCNHUBKNEAIY-QFIPXVFZSA-N 447.631 4.654 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)c2ccco2)CC1 1760385493 RVFWQQGSNLUXKU-OAQYLSRUSA-N 433.339 4.909 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1760394029 VFEDWZCNRYFOGA-GOSISDBHSA-N 436.478 4.584 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2nc(C)c(C)s2)CC1 1760406102 SEKQPGOJMLGHKS-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1760407451 DRFZFBYHFNQPGA-PZJWPPBQSA-N 444.583 4.910 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1760412271 JBTLUHSAMRETAD-INIZCTEOSA-N 440.514 4.511 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1760419414 QNJMGRGAMQRYJM-JYFHCDHNSA-N 449.599 4.728 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)OC)CC1 1760422395 LNGSTDAQLUWYPJ-HXUWFJFHSA-N 440.588 4.781 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1760459906 JZLSEQMVJFBLLM-UHFFFAOYSA-N 443.338 4.579 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1ccsc1 1760513871 IAMPIVKAIFBETQ-MSOLQXFVSA-N 429.590 4.939 30 10 IJEE Cc1csc(Cn2c(-c3ccc(COc4ccccc4)o3)nnc2N(C)C[C@@H](C)C#N)n1 1762232943 CWVYRMOLJXZWRH-INIZCTEOSA-N 448.552 4.526 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1)OC 1763464263 FLTACEBCSYYWTA-XXBNENTESA-N 439.604 4.665 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)cn1 1766286837 BIEWBOLMQWEUKA-OAHLLOKOSA-N 442.926 4.566 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=Nc1ccc(C(=O)O)cc1 1772763297 YKOVCEDDZVGSKZ-KWKLDLJFSA-N 438.505 4.582 30 10 IJEE CC[C@@H](Oc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(=O)O 1772763413 POMBFGGDMUYPIV-WFJJKWNLSA-N 440.521 4.567 30 10 IJEE C=CCN(CC=C)C(=O)C1CCN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)CC1 1860618261 KHJCJRCXWCHBDF-NTCAYCPXSA-N 444.575 4.718 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)NC4CCCCC4)CC3)cc2)c1 1860694676 ULZZSOZPEUBADK-UHFFFAOYSA-N 431.536 4.999 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 1861034594 OVVMQXLIEBXALD-FQEVSTJZSA-N 437.606 4.703 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861452600 SIOGKLPRAKLXMP-QFIPXVFZSA-N 426.605 4.843 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2Cl)cc1C 1862402940 KXUJYUGBZPBTMR-NRFANRHFSA-N 443.927 4.660 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862481370 DIFSJXHAUNCYOF-NRFANRHFSA-N 438.480 4.767 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc1OC 1862496746 RQSOMMZCCMHOIU-HSZRJFAPSA-N 437.536 4.945 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(=O)O)cc1 1862504157 NJOPUUKWEDEVSL-OAQYLSRUSA-N 439.483 4.991 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccccc2Cl)cc1 1862535779 KILYJSHQDBOLIN-OAQYLSRUSA-N 427.928 4.643 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2Cl)c1 1862560000 BEVZOQMRLFHSIE-FQEVSTJZSA-N 438.936 4.805 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862562682 LEPFUZYUOYLJFW-IBGZPJMESA-N 449.334 4.579 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862584408 YBVCEHKTFFMBJP-GOSISDBHSA-N 436.291 4.783 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(O)c2)cc1F 1862638992 OLESAVMOHUYGAV-JSVDNDDVSA-N 439.483 4.697 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862674448 XKCKEKZVCIFFLY-FQEVSTJZSA-N 425.456 4.847 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc(Br)ccc1F 1862684428 WNJFJKNGEFGIHI-KRWDZBQOSA-N 436.252 4.714 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(F)c3)C2=O)c1 1863032666 ZQBKZLVSJUNFQL-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccco1 1864455050 DWCCMXNPCKRFPS-NRFANRHFSA-N 442.604 4.917 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@H]1c1ccccc1C 1865658663 IRIOVNVJGSNRJV-JOCHJYFZSA-N 448.611 4.695 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868286771 URXAUNHSWAOQDS-NRFANRHFSA-N 441.535 4.823 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1 1870108618 PRTKXBDDEYFJNM-XMMPIXPASA-N 435.531 4.725 30 10 IJEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)nnn1-c1ccc(Cl)c(Cl)c1 1870145841 RMMLYNLSOPWUPF-UHFFFAOYSA-N 444.322 4.860 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1CCCOCC 1870379000 XINUMFLOFGIMEO-UHFFFAOYSA-N 438.612 4.953 30 10 IJEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870816180 WOOQDUZZJBDKDO-UHFFFAOYSA-N 439.600 4.568 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)cc1 1871251267 VVFTZGSWASGQIR-UHFFFAOYSA-N 431.536 4.646 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)C1 1871355088 RBGDNCZRUGZPQX-UCQKPKSFSA-N 436.552 4.504 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4C(=O)O)c3C)C2=O)c1 1871430546 JTIXGFAKHRDYHS-XKZIYDEJSA-N 443.455 4.635 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2OC(F)F)C3=O)o1 1871438938 YVRUKZDWHOYIDZ-JMIUGGIZSA-N 442.370 4.863 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)nc(Nc2ccc(OC)cc2)[nH]1 1871561079 VCFQLKNSYLLKLU-UHFFFAOYSA-N 444.583 4.659 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2)nc(Nc2ccc(N(CC)CC)cc2)[nH]1 1871699123 OZJNSLLHHLXIFG-UHFFFAOYSA-N 443.599 4.674 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C)S(=O)(=O)c1ccccc1 1871780994 WIKXDDKSLYQXBS-IBGZPJMESA-N 441.380 4.833 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1cccs1 1871872947 XTAHWHSASKDJNZ-SFHVURJKSA-N 426.991 4.632 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCN(Cc3cccc4ccccc34)CC2)CC1=O 1873007193 BFOXQNCTOMTKMN-VWLOTQADSA-N 449.639 4.693 30 10 IJEE CCCCCCCCCCN1C[C@H](C(=O)N(C)Cc2cc(O)nc3ccccc23)CC1=O 1873018414 PNCVRMAPDFQGHW-OAQYLSRUSA-N 439.600 4.888 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccccc2C)C1=O 1873100468 NGUVJYUFVNDLAY-NRFANRHFSA-N 426.601 4.984 30 10 IJEE C=CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N(CCC)CCC)ncnc21 1873591748 QACAAKLXMVRYEE-UHFFFAOYSA-N 425.964 4.827 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cc(Cl)ccc1O 1874296542 GSRDSENTYUQEFK-CIAFOILYSA-N 431.905 4.520 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc(OC)c1OC 1874328449 OVPXKIJSELCERF-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874480999 KCDWRTHFVCKTCG-SSDVNMTOSA-N 442.416 4.725 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1cccc(C)c1 1874523828 JNUIMEDUTYTIDU-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874527863 IGYBTKMHIVUJBD-CVLFLDGLSA-N 449.624 4.990 30 10 IJEE Cc1cccc(NC(=O)CSc2nncn2/N=C/c2ccc(C(F)(F)F)cc2)c1C 1874534357 FIALQXAWDVDHJD-KIBLKLHPSA-N 433.459 4.527 30 10 IJEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc(OCCC)cc2)cc(Cl)cc1OC 1874580118 YKKDXRKXGLVLJH-DHZHZOJOSA-N 445.943 4.939 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)cc1 1875114948 FGVCSDUJAYDJMR-MKMNVTDBSA-N 432.472 4.757 30 10 IJEE COc1cccc(OCC(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)c1 1875128374 WWRFDGAAANDBJV-OUKQBFOZSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1F 1875152026 FHPMOUWTRZARRR-IZZDOVSWSA-N 436.435 4.967 30 10 IJEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889403368 CIOVVYQWKLPWEX-LBPRGKRZSA-N 436.331 4.659 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(OC)nc(C)c(Cl)c3C)ccc21 1890614015 KNFXJEKVBBDKHH-UHFFFAOYSA-N 443.931 4.550 30 10 IJEE C=C(C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC)OC 2051377914 FDSKVUNTESCBED-HSZRJFAPSA-N 445.648 4.854 30 10 IJEE Cc1ccc([C@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)c(C)c1 2078998551 GUPVBBABDAYACK-UWSDUSPXSA-N 425.314 4.857 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(-c2ccc(F)c(C(F)(F)F)c2)c1Br 2080191655 GCKKNLGLABCSRD-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(Br)cc1F 2089292314 QYKBGUWUXBXIHP-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)c(Br)c1 2156284072 JALJIGOFXFKLQL-SIKLNZKXSA-N 426.358 4.556 30 10 IJEE Cc1cc(Br)c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)cc1Cl 2163720529 HLKAJFPJWMKAQL-YWVIFJGQSA-N 440.574 4.575 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Br)cc2C#N)C2(CCCC2)C1 2174559919 OPXQIIPQVFXPGN-SFHVURJKSA-N 434.378 4.733 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174815351 SBBZNRZUHXTMIJ-GUYCJALGSA-N 440.357 4.980 30 10 IJEE Cc1ccc(CN2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2182309668 PDGBDCSQBTZDCI-DQEYMECFSA-N 446.444 4.533 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H](C)C1 2235723800 HYDNTQSGGAWHBY-PERKRYKHSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](O)C#Cc1ccccc1Br)c1ccccc1 2235739724 JSYMRSFZKCBDAM-UYAOXDASSA-N 430.342 4.818 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CC3)c(Cl)cc2F)OC1(C)C 2258084148 JDGHFGSMGMAHMC-UHFFFAOYSA-N 443.755 4.831 30 10 IJEE C[Si](C)(C)C#CC[C@@H](OCCN)c1cc(Br)c(Br)s1 2276736386 AHMKBFFJBFKSFT-LLVKDONJSA-N 425.262 4.560 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@@H]1C(=O)C#Cc1cccc(Br)c1 2278730371 MOWCSSKBOWQCFJ-KRWDZBQOSA-N 438.387 4.501 30 10 IJEE C=CCCC1([C@@H](NC)c2c(Br)cnn2CCC)CN(C(=O)OC(C)(C)C)C1 2281033191 QVSYEBRTDUOCGE-KRWDZBQOSA-N 441.414 4.519 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296266433 INFAUTOHAAKEDL-MOPGFXCFSA-N 435.406 4.718 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(CC)cc2)cc1 2297742019 AEQPVPOADZVJPL-HSZRJFAPSA-N 446.503 4.961 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(CCCCN(C)C)CO2 2322122645 IVWHQDCCEIYUIA-UHFFFAOYSA-N 444.934 4.897 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2F)c1 2322378813 MBHKTHWXKFZSEH-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)cc1 2322684167 BTJWNIHZDLKWCX-UHFFFAOYSA-N 428.440 4.925 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1C 2323078733 DKIMLEUDUHUJDK-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)NCc1ccco1 2323118455 YRJCNFQNMBYHCH-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1cccc(Cl)c1 2323160971 WCTDAWMVYFUOOF-FCHUYYIVSA-N 435.008 4.572 30 10 IJEE COc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1cccc(Cl)c1 2323540487 HZCNDCKGNYTALJ-UHFFFAOYSA-N 440.912 4.950 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2324080990 IXXWABHDLWVQSZ-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325072580 YSSLBBFMAXAWMW-HNNXBMFYSA-N 430.884 4.612 30 10 IJEE CCOc1ccc(OCc2nnc(SC)n2N=Cc2cccc(Br)c2)cc1 2326629294 JRKRVJDGAQZFII-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328871371 JBVMALZRWGBHPL-UHFFFAOYSA-N 431.905 4.640 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OC)cc1OC 2329835430 SPXSVXJELGXLGJ-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2)cc1 2331182546 BHDJQKUJQBANME-UHFFFAOYSA-N 431.521 4.714 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(CCOC)nnc2SCc2ccccc2C)cc1 2331245095 SOUORWFOSCFICR-UHFFFAOYSA-N 437.613 4.796 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 23504747 ADNVPGSGRGXOSW-QGZVFWFLSA-N 447.564 4.581 30 10 IJEE CC[C@@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1)n1c(=O)cc(C)c2cc(C)cc(C)c21 32527305 GQZHGZJIPRWUAQ-QFIPXVFZSA-N 439.519 4.574 30 10 IJEE C=CCc1ccc(OCCn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)c(OC)c1 40204769 BYLQHOWFMYGMKS-UHFFFAOYSA-N 449.595 4.947 30 10 IJEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)c1 66437798 OAAJLHYRTRIYQO-UHFFFAOYSA-N 430.483 4.756 30 10 IJEE biogenic CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)C2CCC(CCCC)CC2)cc1 96504415 XLLQJJAZERBSJK-UHFFFAOYSA-N 437.606 4.614 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1ccc(C)c([N+](=O)[O-])c1 100149567 DXEWYCYFYDUYAT-LYBHJNIJSA-N 434.481 4.526 30 10 IJEE CCCCCCCCN1C(=O)/C(=C/Nc2ccc(C)cc2O)C(=O)N(CCCC)C1=O 100167847 KDVZNVYTYPLTQS-HTXNQAPBSA-N 429.561 4.948 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926562 YNRMDCKCKJTHHO-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(OC)cc1 170115838 OCSUSRWRHVEWEU-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC)c2)c1 170117921 BKTOKMCOJPCQJB-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143378 GWNRHELUOBBYDI-YKSBVNFPSA-N 427.500 4.906 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccccc1 170227563 FOFUKRJFTLGYNJ-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 170231967 ZMXXHXRTWBBQKN-IBGZPJMESA-N 433.335 4.523 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 170237018 KJKCFFBAHFCLSN-LJQANCHMSA-N 426.856 4.769 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)ccc1Cl 170264167 PXESLLFXNFOZEA-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1C 170275498 HQEIVFPTWXKWOP-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC(C)C)c2)c1 170347710 YBYIAOBWDIEZKA-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(C(C)C)cc1 170422191 WLCMNOLVHLCDHC-XMMPIXPASA-N 442.515 4.992 30 10 IJEE COc1ccc(Cl)cc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(C)c2n1 170536807 OMQYKIIKIYSYTP-UHFFFAOYSA-N 431.883 4.823 30 10 IJEE C=C(C=O)[C@@H]1C(=O)C[C@H](C)[C@@H]2[C@@H](OC(=O)CCCCCCCCC)CC(C(=O)O)=C[C@@H]21 198239629 VCPVUAOJECJROT-IMWJAPCWSA-N 432.557 4.666 30 10 IJEE CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 254506022 FZEKHZXQZJBWSQ-UHFFFAOYSA-N 436.424 4.797 30 10 IJEE C=CCN(C(=O)c1oc(CC)cc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 428807427 RWLBOUXUSWMXNO-UHFFFAOYSA-N 430.551 4.510 30 10 IJEE C[C@H](NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 446466753 NOPJAMBOGJEYGN-VBKZILBWSA-N 427.430 4.623 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 508957017 VZJTVISRYPGYQV-VGSWGCGISA-N 440.494 4.769 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(SCc3ccco3)C2=O)cc1C 526666862 YLGJHZHFJXSVCC-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2c(F)cccc2I)c(C#N)s1 540273067 WYKOEOSXCFTDPE-UHFFFAOYSA-N 428.270 4.913 30 10 IJEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCC(OC2CCCC2)CC1 549270680 JRCUDDFXNWHDLQ-UHFFFAOYSA-N 435.616 4.735 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 555257212 JMPUFXSGIXXTHB-UHFFFAOYSA-N 426.590 4.714 30 10 IJEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2cc(C(=O)OC)ccc2Cl)c1 586718391 SEISHECTVSFFDP-UHFFFAOYSA-N 427.888 4.585 30 10 IJEE Cc1c(NC(=O)NCc2ccc(C#N)c(Cl)c2)nnn1Cc1ccc(C(F)(F)F)cc1 619803685 WEENRVBZFGZJQP-UHFFFAOYSA-N 448.836 4.500 30 10 IJEE C=CCOc1c(Br)cc([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)cc1OCC 639423050 JQDFMJKKLIFSRC-HXUWFJFHSA-N 443.341 4.580 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OCc2ccccc2F)CC1 669803370 SIIVGSICLRPDIV-UHFFFAOYSA-N 445.542 4.948 30 10 IJEE Cc1ccc(CN2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 704719270 PSBFQFFCZBUGRX-AREMUKBSSA-N 448.460 4.637 30 10 IJEE C#Cc1ccc(C(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)nc1 728857073 AKJAOUITTSVCCG-UHFFFAOYSA-N 440.934 4.900 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 735570801 PUBQFGXIJLETBE-XMSQKQJNSA-N 445.485 4.922 30 10 IJEE C=CCCCN(C)C(=O)c1ccccc1NC(=O)c1ccccc1I 736578309 RTLYIQSYWQUQCU-UHFFFAOYSA-N 448.304 4.582 30 10 IJEE COc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1C#N 747249989 TXVJYBKMTOSAAR-UHFFFAOYSA-N 426.476 4.534 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 748296653 MLAMPOBCNXZFHY-IHWFROFDSA-N 443.544 4.678 30 10 IJEE Cc1ccccc1-c1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 796212731 CQLPZBBJTBFVGO-CQSZACIVSA-N 435.505 4.564 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 799210715 CSSWFXDUSLZQAM-QGZVFWFLSA-N 446.359 4.895 30 10 IJEE O=C(O)C[C@@H](c1cccnc1)c1c(O)ccc2c1O/C(=C/c1c(F)cccc1Cl)C2=O 1081089267 QCHPDXNYVWCQSD-FRSZACSASA-N 439.826 4.803 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)cc1 1084023668 AIAMSAZXOZDTBW-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1128781636 DGERWVQYNFAGIX-OFVILXPXSA-N 446.538 4.868 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(C)C)cc1OC 1131459554 MWUCLBTXRBPGRE-SWDTZWKESA-N 434.580 4.642 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCC(C)C)c2ccc(Cl)cc2)cc1 1141869128 VOPYHLCOFHKJRD-OAQYLSRUSA-N 434.989 4.712 30 10 IJEE C=CCn1c(SCC2CCN(C(=O)OCc3ccccc3)CC2)nnc1-c1ccncc1 1188268742 ITWMYAOOBMMASN-UHFFFAOYSA-N 449.580 4.667 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CCCC1(C)C 1189785964 YVYGEIRHKRPWGL-OXJNMPFZSA-N 427.994 4.511 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)CCCC1 1192468677 QTKVLHFUQDAQCN-UHFFFAOYSA-N 446.798 4.555 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1 1206689649 BKZPBLNZSKICDJ-UHFFFAOYSA-N 440.429 4.891 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3c[nH]nc3C)CC2)cc1 1215055664 GROHLZIPYMMZPA-UHFFFAOYSA-N 431.496 4.802 30 10 IJEE COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 1221526880 CJBIDRFZSQQPOC-DEOSSOPVSA-N 429.495 4.978 30 10 IJEE C=CCC1(CNC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1222544780 BDFVEJZRPXCIJS-QFIPXVFZSA-N 426.582 4.615 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 1227880189 GSGYKTKBJNZKGX-UHFFFAOYSA-N 447.501 4.688 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1228700918 BGVKZSWFHPTAAX-NMIHRBCNSA-N 449.636 4.615 30 10 IJEE Cc1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OCC(F)(F)F)c1 1230144000 IDFQSMZRABBQOO-PMACEKPBSA-N 431.458 4.918 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1246900639 WEAGNDKUEAUHHM-SIKLNZKXSA-N 428.573 4.512 30 10 IJEE C#CCOc1ccc(CNC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)cc1 1273118928 UNBCHJQVRXQIBI-UHFFFAOYSA-N 448.563 4.582 30 10 IJEE C=CCCC1(CNC(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CCCC1 1279011264 LOPPISUBNOWBRD-NRFANRHFSA-N 430.589 4.774 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1286315439 WZPNKINIPPBSQE-GOSISDBHSA-N 433.522 4.941 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)CC1 1286323943 KEOFIBPBHDZQPS-SFTDATJTSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC1CCOCC1 1286401070 IPBKAXGULOSGTI-UHFFFAOYSA-N 436.625 4.555 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1(CCC)CC1 1286422267 XMIMHBFJNVNWQJ-UHFFFAOYSA-N 431.403 4.812 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1286499141 DPIYOSWADZFBRL-RBUKOAKNSA-N 445.032 4.608 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(CC)CC1CC1 1286552336 LXOLHZQWHTXIER-JLMWRMLUSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(C)C)CC1 1286553848 VUWDELXHTRZJDS-RBBKRZOGSA-N 444.023 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1ccco1 1286565999 FSZNPFMVYXCLSK-HXOBKFHXSA-N 444.963 4.975 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286570908 JUISYIHMJAMKPZ-FDDCHVKYSA-N 430.980 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](F)(C#N)C1 1286668893 XAQJWYXIAMXJBY-GOSISDBHSA-N 438.370 4.813 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(F)cc2C1 1286674673 UFEUYJDXZVQPFS-UHFFFAOYSA-N 425.577 4.938 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(F)(F)F 1286681377 VJFBDZGQRXADIH-UHFFFAOYSA-N 441.498 4.777 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1286684515 IOJVEMKSUHFXKT-UYAOXDASSA-N 430.618 4.720 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC1CC(OC(C)(C)C)C1 1286717612 CXJGZJBPZQBKNM-UHFFFAOYSA-N 434.588 4.941 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCSC1 1286740605 QYEITWSIKAQTIA-QFIPXVFZSA-N 449.624 4.608 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nccc(C(F)F)n1 1286754241 OGRKDFYLTFUPRO-UHFFFAOYSA-N 436.510 4.702 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)CC#N 1288434407 AQXAMZYLNODYSO-JCGIZDLHSA-N 432.366 4.575 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 1293009953 FNWLOGNMYDOOCE-OAHLLOKOSA-N 449.960 4.719 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1293903968 DQUHWSXEVJQUSR-HNNXBMFYSA-N 428.462 4.904 30 10 IJEE C=CCC[C@@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)c1ccccc1 1295328800 OYTHWSYOVYWETN-MRXNPFEDSA-N 426.860 4.577 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 1296743002 YRTQVTKRTFTOQW-LJQANCHMSA-N 436.955 4.714 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1300348105 JFAXOPSRMLJUIO-IAGOWNOFSA-N 434.415 4.974 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1300368126 NSCTXAGYSFWSRT-QHCPKHFHSA-N 448.659 4.548 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1300601702 KGTPBYRSJNGFAY-TZIWHRDSSA-N 439.604 4.535 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OC2CCCC2)nc1 1300605245 ZSYQUIOASQBZKG-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1cccs1)N(C)C 1300643935 POYRJJIGKPXCHP-FQEVSTJZSA-N 439.654 4.703 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1300872175 FQEUPJQRWKMIIG-ZJZNHJNOSA-N 430.637 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC(C)C 1300896711 IRWSQMWHPFWXKJ-AVRDEDQJSA-N 432.996 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ncc(CC)s1 1301155898 ZCHKUHNBHVBMLZ-UHFFFAOYSA-N 449.628 4.774 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1301176177 RLNUSOCUZHETGY-IAGOWNOFSA-N 446.617 4.657 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1301212020 RERDIMZWTOJUHQ-SFHVURJKSA-N 428.577 4.712 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCSC2)C1 1301239943 YIDZAVDYSBGPBX-ZJSXRUAMSA-N 426.630 4.746 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1OCCC1(C)C)C1CC1 1301317376 RABBOOZWDPUSIY-IBGZPJMESA-N 445.405 4.986 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1Cc1ncccc1N(C)C 1301349193 HWBWVAKDZHFQAZ-UHFFFAOYSA-N 446.530 4.688 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1301433128 KWFNVBMCEOTOIM-DZFGPLHGSA-N 428.552 4.917 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cc(Br)cs1 1301469603 CMBREJGFLVWMEQ-UHFFFAOYSA-N 433.375 4.812 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655979 NCYKAKBVKKMVQO-INIZCTEOSA-N 438.490 4.670 30 10 IJEE Cc1nc(C)c(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1304643302 HAGASQOVVKVDSJ-JOCHJYFZSA-N 441.004 4.774 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1305310190 DFDVKEFZFSVVIR-KTXJPYHWSA-N 427.593 4.570 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CCCC1(C)C 1310071351 RWMWMSORMAAENR-NRFANRHFSA-N 433.618 4.768 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1cn(C)c2ccccc12 1310862007 ALISCPALSHRSPI-UHFFFAOYSA-N 428.330 4.870 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1 1311617444 PAJVGGKTLRRLMY-YVEFUNNKSA-N 449.732 4.608 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(N=S(C)(C)=O)cc1 1352319512 SXLSXAHHLQTYCY-UHFFFAOYSA-N 439.350 4.776 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 1358414628 JRQVCBOFUDPTLM-ZBEGNZNMSA-N 447.347 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCO[C@H]1CCCC[C@H]1C 1358878342 VEXKCOPFBFWWDC-UWVAXJGDSA-N 445.405 4.761 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1358907022 ALWJJZRKUDKIEK-HXUWFJFHSA-N 444.608 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1OCCC1(C)C 1359066654 JLZSKYHIWPJJJX-XMSQKQJNSA-N 443.389 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1359116108 YAESRIIEAPPWCB-NRFANRHFSA-N 434.588 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1359184908 FKHYPYHEWYDWRM-HNNXBMFYSA-N 434.943 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359190109 FGFFZJSZIUVJGR-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2csc(C)n2)nnc1[C@]1(OCC)CCOC1 1359192989 UGEONQKYWRUTJL-XXBNENTESA-N 445.633 4.639 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](OCC(C)C)C1 1359209326 JZUSTRUCTWWLNO-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1359236439 LUMADIVHTNDHBC-IBGZPJMESA-N 448.571 4.515 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C2CCCCC2)cc1 1359308826 ZUADGADWYYJHFN-UHFFFAOYSA-N 434.588 4.522 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@]2(C)CC=CCC2)c1 1436665895 YVGZSHLKVOHFAW-QHCPKHFHSA-N 444.984 4.950 30 10 IJEE C=CCC1(CNC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)CCCC1 1449421002 CGKMNDKSXCIFQB-UHFFFAOYSA-N 438.524 4.528 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2 1450461707 BQPIQHBLAFQBSI-KRWDZBQOSA-N 435.524 4.505 30 10 IJEE C=C(CC(C)C)C(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1456149358 YDDNPBBMSLFDKY-VQTJNVASSA-N 428.573 4.745 30 10 IJEE C=CCOc1ccc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2CC)cc1 1460656140 OUKZDSWNDBVMNM-QHCPKHFHSA-N 438.568 4.739 30 10 IJEE C=CC1(CC(=O)N[C@H](COc2ccccc2F)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1465032368 SWGAENNYLBPQCX-LJQANCHMSA-N 434.552 4.549 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 1465779585 MLXPUPJAQBCTLB-HXUWFJFHSA-N 440.515 4.874 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 1466047038 WXMJSTXQJYHWIF-KGLIPLIRSA-N 428.842 4.614 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc(Cl)cc1F 1466761825 RBFBNEAWZKPPIU-QGZVFWFLSA-N 440.277 4.604 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Nc3cnn(-c4cccc(C#N)c4)c3CCC)cc21 1467381772 XCYVEOVVUVDHAC-UHFFFAOYSA-N 425.496 4.876 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)CCc2cccc(F)c2)c1 1474779831 DGNPQYSAIDKAGQ-UHFFFAOYSA-N 440.492 4.573 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(Br)ccc1N1CCOCC1 1476000874 ZWJQFQRYLSAYRY-LJQANCHMSA-N 444.373 4.595 30 10 IJEE CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1476580425 BSHMBCIFQJDIAA-MRXNPFEDSA-N 444.539 4.883 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1507556172 IMYOADFKWYXEMX-LJQANCHMSA-N 429.971 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](SC)C(C)(C)C 1507677328 YPLBDDDAZFKIDI-HXUWFJFHSA-N 445.032 4.751 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1nccs1 1507748523 OJSNZVXJHGJOQR-HNNXBMFYSA-N 443.667 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCOCCC(C)C 1507764747 CSXIHVMVOQGDIV-RUZDIDTESA-N 433.556 4.655 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCCc1ccccn1 1507798759 WZSDNFVUJLXQQN-ILBGXUMGSA-N 445.611 4.953 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(COc3ccccc3)CC2)nnc1C(C)(C)C 1507811544 RZUIKQSSMMWSNF-GMAHTHKFSA-N 438.616 4.852 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]2CCC[C@H]21 1507829536 BEXMATRHLFJJOV-VAMGGRTRSA-N 429.609 4.738 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1507848078 MTVPZAQXCRCDFX-VQTJNVASSA-N 428.552 4.605 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C(C)(C)C)CC1 1507857788 SISUUJGKDVONLG-UHFFFAOYSA-N 438.801 4.981 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)C1CCN(CCC)CC1)c1ccccc1 1507924377 MLJQHXTUEFQMQB-HSZRJFAPSA-N 446.643 4.954 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC([C@H]2CCCO2)CC1 1507956438 NMHJMORWFGDGTR-HXUWFJFHSA-N 442.629 4.941 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCSC(C)C 1507999489 LZZNPVFNGMKYNY-UHFFFAOYSA-N 432.597 4.854 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccsc1 1508412718 DQZJPVXGFWPAPK-GFCCVEGCSA-N 434.338 4.552 30 10 IJEE C[C@@H](NC(=O)c1cccc(S(=O)(=O)C(F)F)c1)c1ccc(-c2cccc(C#N)c2)cc1 1522149413 AYTGMGMTMPHCRS-OAHLLOKOSA-N 440.471 4.713 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc(Br)c(OCCC)c(OC)c2)cc1 1525684994 DOXIODJNQNNSSU-UHFFFAOYSA-N 434.330 4.741 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](CC)Cc2cn(C)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1534485817 JBIWLDNXZDZWQN-RXFWQSSRSA-N 439.600 4.961 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)C(C)(C)C)cc1 1539006797 RFAJJPOKLFVDDW-SFHVURJKSA-N 447.572 4.770 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1539049063 GEOSJYHMTQIPOZ-UHFFFAOYSA-N 448.567 4.948 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cccs1 1539499698 OFJKANUTJNHODZ-GOSISDBHSA-N 439.566 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCOC1CCCCC1 1539562634 BZOOJYOPIUHZJH-AREMUKBSSA-N 436.600 4.609 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C)C1 1539624731 VSQWYPNLECWDOA-KHYOSLBOSA-N 436.984 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1539875794 WRFPWCBHTGULSL-AZUAARDMSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)OCC)CC1 1539877995 NQEFBMFRDOAKSK-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1539940278 PMKFUGHRSZLZOR-ICSRJNTNSA-N 442.567 4.686 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@H]1C 1540133243 HASUIQVAPJWHSW-TZIWHRDSSA-N 449.624 4.898 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1540882298 GGCWOPLDNOVMJT-HSZRJFAPSA-N 437.632 4.642 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2CCCC2)C1 1540885520 KQUBCKBRDRBQFK-IBGZPJMESA-N 445.405 4.988 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1540912136 NHQFATIAWXSOTM-HXUWFJFHSA-N 441.626 4.979 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(=Cc2cccc(F)c2)CC1 1541100725 CVWOOZJCSQKQQI-UHFFFAOYSA-N 429.289 4.545 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2CCc2nc(C(F)(F)F)cs2)C1 1541988964 CXNIGZZMRCIZLE-HXUWFJFHSA-N 446.502 4.793 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2scnc2C)n1 1542845461 GGBWQRGHBKQGJK-AWEZNQCLSA-N 449.609 4.787 30 10 IJEE Cc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C(C)C 1543404459 GDLREHWXYDWCIP-UHFFFAOYSA-N 432.553 4.946 30 10 IJEE C#CCOc1ccccc1CNC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1 1543727345 FTGJZTYZUFBNOS-AREMUKBSSA-N 443.543 4.654 30 10 IJEE CC#CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 1546313068 RYCLOBYDMBDXDZ-UHFFFAOYSA-N 432.593 4.772 30 10 IJEE COCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1555215333 FBJLHXZWWGWYKT-OSPHWJPCSA-N 441.645 4.934 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 1557406499 AHMWDUHDSZRVEE-MRXNPFEDSA-N 428.374 4.942 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccccc2NC(=O)c2ccccc2Br)CC1 1558206976 GDJYOUUDTHFFLS-WKILWMFISA-N 425.326 4.623 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3F)cc2n1 1558514864 UWKVEEXDHHIHQZ-HXUWFJFHSA-N 442.466 4.705 30 10 IJEE CN1c2ccc(Br)cc2N(Cc2nnc(-c3cccc(C#N)c3)o2)CC1(C)C 1559801736 IDPCWODCTKJCAD-UHFFFAOYSA-N 438.329 4.606 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)OCC)c3)c2)C1 1562897863 BNMFPQSKGMRWNP-GOSISDBHSA-N 435.524 4.936 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 1564913012 FJGHDOJZKNSNJI-YPAWHYETSA-N 431.502 4.536 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](CC)O[C@H](C)C1 1589008617 XSNYSMBDRRNLTQ-MJGOQNOKSA-N 444.670 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCCN(C)c1ccccc1 1589197709 IJTUSDHVNVCYPC-AREMUKBSSA-N 428.584 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCc1c[nH]nc1C 1589250750 BJHUAGHOWLWGOU-XMMPIXPASA-N 434.613 4.535 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)c1ccccc1 1589427283 GJQABIZUPRXQNO-CQSZACIVSA-N 446.418 4.782 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2CCOC2)CC1 1594209183 TUZIACHJLNVEQC-QGZVFWFLSA-N 431.378 4.537 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1594767258 QGQAENJKDQVVQG-MJGOQNOKSA-N 432.037 4.863 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cn2ccc(C)cc2n1 1594856538 GUFHZEISXIFCIC-KRWDZBQOSA-N 436.947 4.698 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN(C)C1CCCC1)C1CC1 1595026989 VGSNYILFAHZZEP-UHFFFAOYSA-N 444.421 4.737 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCCC2(C)C)C1 1595680779 MYYFNAZWHUQQAE-DRLORSAXSA-N 438.616 4.543 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(C)s2)C1 1595745862 XXHQRMXDABIBCQ-OAQYLSRUSA-N 438.597 4.673 30 10 IJEE Cc1nc(SCC(=O)NCCc2ccccc2OCc2ccccc2)c(C#N)c(C)c1C 1596210995 FVVWSIUMXNDTNW-UHFFFAOYSA-N 445.588 4.909 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1 1617499510 CHSQBMJSVDFYQS-OAQYLSRUSA-N 441.645 4.991 30 10 IJEE OC[C@@H](CNCc1c(F)cccc1OC(F)(F)F)Cc1ccccc1C(F)(F)F 1620845671 GBGUIDSYYZZJOB-GFCCVEGCSA-N 425.344 4.684 30 10 IJEE CC1(C)CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)c2ccccc21 1621985634 CLKNRWREPXXLQS-UHFFFAOYSA-N 437.334 4.727 30 10 IJEE C=CCC[C@@H](NC(=O)/C=C/C(=O)NCc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1623620597 KRIIZZPKHUDGQV-IBUXMESJSA-N 446.469 4.710 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccnc(OCc3ccccc3)c2)cc(OC)c1OC 1624195274 NNCSVJTYUKOHTC-UHFFFAOYSA-N 433.508 4.728 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12)C(=O)OCC 1624252382 YNHFCPWXOIAAAV-BLLLJJGKSA-N 427.353 4.559 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](C)N1CCc2ccccc21 1626553620 CMUIXGGKBZVVMX-MRXNPFEDSA-N 431.349 4.944 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)C[C@H](C)C#N 1630275820 BZJDFFAQDHKKLD-WYEJZRMESA-N 447.579 4.948 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)CN(C(=O)OC(C)(C)C)C1 1631869527 YTISLAHDRVBBTL-HXUWFJFHSA-N 438.572 4.533 30 10 IJEE C#C[C@H](NC(=O)NC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cc1F 1632849634 AAJCXDKZXYDBJO-HOIFWPIMSA-N 427.951 4.609 30 10 IJEE C#CCN(C(=O)NCc1cc(Br)ccc1OC)[C@H]1CCCc2ccccc21 1632978991 GFQFQFMDJFRJBQ-FQEVSTJZSA-N 427.342 4.680 30 10 IJEE CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NCc1cccc(OCC#N)c1 1633472999 GTIFMKCJIVXEOV-IBGZPJMESA-N 429.358 4.873 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 1641564835 FLKDUAYGMDXVEX-LJQANCHMSA-N 443.526 4.998 30 10 IJEE C=CCC[C@@H](NCC(=O)NCCc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 1642443894 NPQKUNGWQIGVJG-HXUWFJFHSA-N 426.429 4.939 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)c1 1647798708 OQAAFLTZFDEDIM-QHCPKHFHSA-N 449.963 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C(CC)CC)N(C)C 1649538366 CLCSAOKMNNXIOX-CYFREDJKSA-N 432.616 4.626 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc3c2CCN(C)C3=O)cc1OCC 1651338231 QMTUJGUVVLQYMJ-UHFFFAOYSA-N 445.357 4.653 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1c(C)nn(-c2ccccn2)c1C 1651726034 LUZRHMWSZRYWGO-UHFFFAOYSA-N 429.337 4.974 30 10 IJEE C=CCn1c(SCCOc2ccccc2C(C)=O)nc2sc3c(c2c1=O)CCCC3 1652458662 OEUIGJRZYCDTPF-UHFFFAOYSA-N 440.590 4.897 30 10 IJEE COc1ccc(CN(CCc2ccccn2)Cc2cc(C#N)ccc2Br)cc1 1653499832 CCFRHTZQSGJIMQ-UHFFFAOYSA-N 436.353 4.969 30 10 IJEE C=C[C@H](Sc1nnc(COc2ccc(CC)cc2)n1[C@H](C)c1ccccc1)C(=O)OC 1656018948 SZXQKZPEBIXPKA-UTKZUKDTSA-N 437.565 4.849 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@H](C(=O)OCc1ccccc1)c1ccccc1 1656110505 AETRLGGGVBTFRX-QFIPXVFZSA-N 433.935 4.969 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccc(OC(F)(F)F)c1 1656773119 IAWZCGQGITWSGI-VIFPVBQESA-N 431.329 4.783 30 10 IJEE C=C(C)CN(Cc1cc(Br)cc(Br)c1)Cc1ccc(CO)o1 1659762433 IGRLXCUWYJZWPX-UHFFFAOYSA-N 429.152 4.875 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F 1666357314 PRNTTWVGDMSJIV-FQEVSTJZSA-N 428.916 4.729 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)OCC)cc(C(=O)OCC)c1)[C@H]1CCCc2ccccc21 1667344708 BXTLYFLKVYVQCP-QHCPKHFHSA-N 448.519 4.585 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 1672708572 QFEQBRCTDAZLFW-WFASDCNBSA-N 437.256 4.635 30 10 IJEE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1 1677971598 AIUYTGLBKJBFRI-UHFFFAOYSA-N 448.548 4.640 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CCN(C)CC1 1680849368 IYOKOWRJKNZMLW-LJQANCHMSA-N 427.898 4.549 30 10 IJEE C=CCC[C@@H](NC(=O)NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1685820575 YZRJIZRFPRWMFU-HZPDHXFCSA-N 425.417 4.895 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)NCC3(c4ccc(F)cc4Cl)CCCC3)CCO2)c1 1686201222 BHRYXIILSBKBEM-JOCHJYFZSA-N 441.934 4.946 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1689841798 OBZUDWXQDOXUTL-UZLBHIALSA-N 430.618 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(C)C)C1 1690253055 MCXIXFPKCXZUTN-ROKPMTFOSA-N 442.579 4.850 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(SC)CCC2)CC1 1690369537 NWGWVXUDPBPYAY-UHFFFAOYSA-N 428.602 4.795 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOC(C)C)CC1 1690402902 UOSUQYVZOVDMHK-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(CCC)CC1)c1ccccc1 1690446502 BBCZVSLFGUTLDB-LADGPHEKSA-N 437.632 4.800 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1690490294 VSFWGDYJZNBBLU-UYAOXDASSA-N 435.597 4.618 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCC(F)(F)F 1690533683 ROBSNEZMQYWMQV-UHFFFAOYSA-N 433.272 4.584 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1cn(CCCC)nc1C 1690558298 LDDKDWKIQNSFKP-UHFFFAOYSA-N 445.615 4.993 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1690749913 UPEDMQHMHJFIJR-HXUWFJFHSA-N 448.583 4.956 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)c2)C1 1692850725 ABHDIOMSTQZBAK-WIYYLYMNSA-N 433.478 4.717 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CCCC1 1705613033 AUKWAFDMCQVCQH-HXUWFJFHSA-N 443.636 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1705712337 QHQUSBXGRXFEIQ-IBGZPJMESA-N 429.515 4.830 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)c1ccsc1 1705719204 OUZYHRZJPIFGNW-XMMPIXPASA-N 435.597 4.722 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1705719449 ZLGFHJCGQWJFIT-KRWDZBQOSA-N 438.597 4.713 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCOC(C)C)CC1 1705761470 NURUTRHRJNMNTQ-UHFFFAOYSA-N 425.577 4.509 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1705785615 OWDYYWRNZGLSDW-SFHVURJKSA-N 434.556 4.705 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1705789170 AYBATPJYQICMKZ-HSZRJFAPSA-N 447.583 4.837 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cccs1 1705862499 MMUOTVKGSBMUSO-HSZRJFAPSA-N 437.544 4.574 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCc2cc(OC)ccc21 1705875415 RJPRPSYWBUYQDF-JOCHJYFZSA-N 429.568 4.571 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ncc(CC)s1 1722404033 NRWNPNZRSFBJEE-UHFFFAOYSA-N 444.402 4.543 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722408068 YIZCFHRDSCLNMA-IAGOWNOFSA-N 436.478 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1cccc(COCC(F)(F)F)c1 1722473206 RXSAVCCJSRQSKR-JOCHJYFZSA-N 434.506 4.596 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722555931 IDSDDWCOGBHNNZ-CRAIPNDOSA-N 445.753 4.769 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NC2CCCCC2)CC1 1722561550 SZXBUMDNPJWCJZ-UHFFFAOYSA-N 435.616 4.848 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCC2CCC(OC)CC2)CC1 1722570194 XBTZFYYLJRJQQU-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1722576344 MJBIXQJOWWRQSZ-UHFFFAOYSA-N 435.616 4.701 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)c2ccccn2)CC1 1722581752 CZVTVSVAFMVBLP-UHFFFAOYSA-N 437.538 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@H](C)C1CCC1 1722584263 CKOJVNOMDNKLFF-GOSISDBHSA-N 444.645 4.966 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@H](OC)C(F)(F)F 1722632996 BKEBKGGWSFYMSA-CJNGLKHVSA-N 432.874 4.661 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCC(OC)CC1)C1CC1 1722646732 UWDQYWBIKDDKJP-UHFFFAOYSA-N 430.980 4.967 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCN(C)[C@@H](C)CC)C1CC1 1722648436 RVCOLQXMQWZFST-INIZCTEOSA-N 432.410 4.593 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1722675588 PFOWLLWGZFBAPS-UHFFFAOYSA-N 433.899 4.940 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1722734263 XWKODDCEFBBXBE-IAGOWNOFSA-N 433.419 4.719 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C1CCC1 1740597434 TUDITMQJJJPSEO-UXHICEINSA-N 427.593 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1cccnc1)C(C)C 1740647066 IWEGVFMCXGSJQD-QHCPKHFHSA-N 431.971 4.896 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740716138 SHSZHDTUYMBPRP-OAHLLOKOSA-N 433.503 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC(O)(CCC)CCC 1740732590 JOCTYLRWYCQZCO-HSZRJFAPSA-N 429.008 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](OC)c1ccc(F)cc1 1740776162 QNXHUCWNQHFBEE-HXUWFJFHSA-N 429.565 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@H](F)C1 1740776894 FWAQFGKLBJRESP-FHWLQOOXSA-N 435.588 4.891 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(COC)CCC2)CC1 1740823518 CRODZDJGBMCRBW-HXUWFJFHSA-N 440.588 4.790 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCN(CC)C2CC2)CC1 1740834826 JBVIWHCUHHJPJO-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1740863709 DMQXQARPFKQUQC-PXNSSMCTSA-N 434.943 4.509 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCSC1(C)C 1740894615 AUNYBXYJVYMXIH-GOSISDBHSA-N 430.618 4.896 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCO[C@H]1C(C)C 1740915913 XKCPOLVTWJLKJI-OFNKIYASSA-N 435.572 4.536 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1Cc1sc(C)nc1C 1740916391 LLCCNYFLIRNHQV-OAQYLSRUSA-N 448.596 4.706 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC=C(C)C 1740932203 JBKRYQUQXISWGV-UHFFFAOYSA-N 429.609 4.927 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1Cc1nc(C)cs1 1740936811 KHZGAEHVGFBZLK-UHFFFAOYSA-N 433.581 4.819 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)C2(CCC2)C1 1740956327 JYBKMXFBAGNWDZ-OAHLLOKOSA-N 448.398 4.571 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H]2CC[C@@H](SCC)C2)cc1 1740967239 AJYYDCXZCNPCRV-RZUBCFFCSA-N 442.629 4.506 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1741001414 UFSPSBSASNPZFF-KNQAVFIVSA-N 425.646 4.564 30 10 IJEE Cc1ncsc1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1742052950 CTTLHZVIDBQWFQ-GDBMZVCRSA-N 444.992 4.818 30 10 IJEE Cc1ncsc1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1742052951 CTTLHZVIDBQWFQ-GOEBONIOSA-N 444.992 4.818 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC=C(Br)C1 1748735422 FZSKJASHUCCFCY-SFHVURJKSA-N 443.389 4.937 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCSC1 1748951473 VYWMWMGCAQEJOM-OAHLLOKOSA-N 447.029 4.652 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCc2ccc(Br)cc2C1 1749083403 GMLVGRJIFYTDMP-UHFFFAOYSA-N 440.183 4.635 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1749155273 BSKZCXUVOWOUAE-DEOSSOPVSA-N 437.632 4.720 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1CC(F)(F)Br 1749165840 QEADDLHVIUQYFP-UHFFFAOYSA-N 429.309 4.556 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1749292736 VFJQRMAVUOJEPP-PCCBWWKXSA-N 440.588 4.646 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749305814 RWIUFXAEMAIKOX-SFTDATJTSA-N 425.596 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1749330934 SCPDTNCYPDZAHF-KDURUIRLSA-N 444.023 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1749358853 RDZKYZOSTWRYLQ-UHFFFAOYSA-N 428.487 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1749364532 UGZHFOQRVMLZHQ-KDURUIRLSA-N 448.615 4.930 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1OCCC1(C)C 1749547528 RJYNKYABOIFONJ-JOCHJYFZSA-N 435.547 4.795 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@H]1CCCCO1 1751245634 IFXXPWQCSCZNIJ-CMKODMSKSA-N 429.540 4.645 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760276622 KAKYZOOMROJOGF-WMZOPIPTSA-N 433.021 4.988 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCC(F)F 1760324523 KYQXYUITAZVXRM-GCJKJVERSA-N 434.531 4.547 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1760351081 BSKCUZBQBNDDFD-MRXNPFEDSA-N 433.394 4.880 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1760364220 JTDIRXXSZBAOFB-QHCPKHFHSA-N 431.584 4.761 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1760375154 GIVQTZAZGGFVJE-QFIPXVFZSA-N 444.023 4.621 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1760382823 ZBYLFHHJKUEEMY-LEWJYISDSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1760402306 XFVCSHLXNYNKOT-UHFFFAOYSA-N 436.604 4.916 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(C)(F)F)cc2)CC1 1760405497 UXDKENSOTSHPDV-UHFFFAOYSA-N 440.542 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760409521 XOUDDTFVQHOOTE-NRFANRHFSA-N 429.572 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760413893 XVKWZRVOWRMCGQ-KOSHJBKYSA-N 445.007 4.509 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)CCc1cccs1 1760532051 JOZYDWHUEVGFCH-UHFFFAOYSA-N 431.565 4.694 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1 1760560455 WBHLJRCVYGLANN-GOSISDBHSA-N 446.592 4.626 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1C1CCC1 1760563143 IVTMZDZTQOVDNI-HXUWFJFHSA-N 428.602 4.650 30 10 IJEE CCC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1763870326 HMCISZKQOAYJRG-DVECYGJZSA-N 434.544 4.545 30 10 IJEE CCO[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N)C1CCCC1 1765797402 BTJCEYSHGMUQJF-BDKRGJGYSA-N 445.652 4.920 30 10 IJEE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746564 CMZKVLAVHYDJAL-UHFFFAOYSA-N 434.452 4.910 30 10 IJEE COc1ccc2c(c1)[C@@H](c1cccc(Cl)c1)N(S(=O)(=O)c1ccccc1C#N)CC2 1857946390 MJOCMDUCQPFJKU-HSZRJFAPSA-N 438.936 4.557 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4cccc(OC)c4)nc3c2)nc1C 1859737283 VZKMTZPUCOYSGK-UHFFFAOYSA-N 449.488 4.863 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(OCCCCCC)cc1 1861526794 WWIYQEKPUJKBHH-UPVQGACJSA-N 446.632 4.698 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 1862091067 FLJQOWYPINMPKR-SFHVURJKSA-N 438.531 4.702 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1 1862385198 JTCRZVCPJOFTCW-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 1862409343 IMTROUASGYMHFP-LJQANCHMSA-N 444.871 4.552 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862478972 VPEBTUSLQWOFJL-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862484532 QIOMLVFBYRQTCF-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2c(F)cccc2Cl)cc1 1862530974 CCZCTXOCGOIHON-FQEVSTJZSA-N 431.891 4.656 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862676014 YNLFETPSHPTYFZ-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(F)cccc2Cl)c1 1862704837 KCBKJUMUBUIEAQ-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)O)cc1 1862715702 YONXKMDFUQUDSX-QFIPXVFZSA-N 429.472 4.916 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)cc1 1862736664 MDDBDIVHOFOHMN-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 1862752269 WNIAVJHEKMVTCP-HXUWFJFHSA-N 442.418 4.784 30 10 IJEE CCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)cc1 1866685691 NVYQVKXBDCOIOS-CIEQNIFPSA-N 437.543 4.890 30 10 IJEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868238135 KWMAKHCURZNJHW-LJQANCHMSA-N 427.508 4.938 30 10 IJEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)nnn1-c1cccc(C(C)(C)C)c1 1870145781 ORRIMGHAASXMOU-UHFFFAOYSA-N 431.540 4.851 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CSc2nc3ccccc3s2)cc1=O 1870298843 MQASUNIECHVIAT-UHFFFAOYSA-N 436.533 4.950 30 10 IJEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CNc2cc(C)ccc2C)cc1=O 1870813265 DFHLCUJAYHAOAA-RUZDIDTESA-N 447.579 4.651 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1870884344 AHDZVCCBJYWCPB-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc1c2CN(CCCCN2CCCC2)CO1 1871349237 QWSRLRVRPFUHGD-HAHDFKILSA-N 438.955 4.984 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871493979 LKPPABRTNUONIE-UHFFFAOYSA-N 442.611 4.724 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872223884 BBWFMTZEAQISOW-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1 1872357994 MHNKLMRKRGSZDR-MRXNPFEDSA-N 446.516 4.751 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1)S(=O)(=O)CCCC 1872507198 UFIVBXNDKYANLL-NRFANRHFSA-N 434.989 4.946 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1Cc1cccc(C(F)(F)F)c1 1872725318 CSPVLIYICDKAEE-UHFFFAOYSA-N 441.478 4.640 30 10 IJEE Cc1cc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)ccc1F 1872771999 HRVGMZRHKLWEQP-AWEZNQCLSA-N 440.412 4.873 30 10 IJEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773218 LAPDJQQQRNEAOJ-MRXNPFEDSA-N 436.445 4.564 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873239241 HAIQFFIPSIAHIM-UHFFFAOYSA-N 426.316 4.501 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCCC)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873239421 OZAJOAJEDHKZLU-UHFFFAOYSA-N 430.426 4.661 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N3CCC(C)CC3)ncnc21 1873644508 UMJSPBKZSQIFGL-UHFFFAOYSA-N 427.911 4.898 30 10 IJEE CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cn(C)c2ccccc12 1874211555 ICQOEQIZRYWAIQ-WSDLNYQXSA-N 440.370 4.727 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc(OC)c1 1874221476 MOITUKLKJSNXMY-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccn1 1874314287 LQFDHTPYFQCSCK-YZSQISJMSA-N 429.549 4.641 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2F)c(O)c1 1874412608 RLPXVIHUSKGONG-FSJBWODESA-N 440.525 4.655 30 10 IJEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1Cc1ccccc1[N+](=O)[O-] 1874565251 QGEMNLVCRPAMCZ-PXLXIMEGSA-N 425.514 4.517 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)OCC(C)C)cc1Cl 1874588477 OOIXWFFRGAOXGA-MDZDMXLPSA-N 432.900 4.831 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c(OC)c1 1874599190 ZJXSJEWXTYMPSP-QZEGLACASA-N 445.515 4.856 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)c1 1874694165 ORYCMQRGSVKPFQ-CSKARUKUSA-N 448.471 4.836 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1875143935 XZHQQSLQMKKYOG-JLHYYAGUSA-N 431.444 4.956 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875145449 MGSVQEOEUQDFCL-RMKNXTFCSA-N 425.437 4.522 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1Cl 1875174552 XGBVGKRYXAABJM-FNORWQNLSA-N 433.844 4.723 30 10 IJEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCCCN(CC)CC)ncnc21 1875228762 CTNZZWXHFNXMMS-UHFFFAOYSA-N 442.652 4.804 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880121734 XMOQYONJPJIWMV-VQTJNVASSA-N 429.561 4.963 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)ccc(Br)c2F)C1 1892676913 CYULWZCYTNESAO-MRXNPFEDSA-N 431.321 4.991 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1 1894965514 BFDSNDACKYTYBB-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Cc2cc(I)ccc2Cl)C1 1905004148 WZQAAYPJFBVDCY-QGZVFWFLSA-N 446.716 4.638 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@]1(NC(=O)OC(C)(C)C)CCSC1)NCCC 1922119108 LYDMEKQFBZKGEX-XUZZJYLKSA-N 434.646 4.918 30 10 IJEE CC[C@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)[C@H](CC)CN1C(=O)OCc1ccccc1 1977838271 IDXAREHQAXXISX-YADHBBJMSA-N 444.425 4.980 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1987472170 XDQNQDFRVAMFFQ-FGZHOGPDSA-N 432.681 4.736 30 10 IJEE CN(C)C(=O)c1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079218978 WAIBIDJVGDUSBA-UHFFFAOYSA-N 448.136 4.513 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)C1 2174815263 RJRPMKPWYYYVFZ-HUUCEWRRSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ccc(C#N)cc1Br)C1CCCC1 2204186747 GNMGAVJZGBEFIE-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE Brc1sc(C#CCNC2CCCC2)c(Br)c1Br 2216392175 HUBKJQLESIYCHR-UHFFFAOYSA-N 442.014 4.919 30 10 IJEE CN(Cc1ccccc1)[C@@H]1CCCCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2219977190 PMVIKDKUUJJVME-OAQYLSRUSA-N 440.462 4.534 30 10 IJEE N#Cc1cnc(Nc2ccc(Br)cc2I)c(Cl)c1 2223653733 KGFGQKVZRBTZFT-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(Br)c(F)c1F 2239846312 VJQSEHSPGAGAFF-ZDUSSCGKSA-N 446.292 4.643 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 2255859821 VNPGXXBPLGXTJS-QGTPRVQTSA-N 430.354 4.693 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1C(=O)C#Cc1cccc(Br)c1 2296226781 JDEIIYIAUIWYBT-LJQANCHMSA-N 446.366 4.966 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@H](O)C#Cc1ccc(Br)cc1 2296271705 FYQKQNRMINSMPB-KNQAVFIVSA-N 430.342 4.602 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296276815 MEXPZBYTICTQLT-XKGZKEIXSA-N 435.406 4.672 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296292196 VZQDSIUFQOLAGY-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296294699 XBWBMGOWTACGQY-AZUAARDMSA-N 435.406 4.816 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2nccs2)cc1 2296552804 ZQEBLLGGILAWHY-FQEVSTJZSA-N 434.517 4.865 30 10 IJEE COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2296598196 DSMSBPWTFBHLHD-UHFFFAOYSA-N 442.876 4.733 30 10 IJEE C[C@H](C[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317349967 LQMFLDJDVIWXKA-IAGOWNOFSA-N 432.370 4.797 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 2321936879 XHEXYJYOCILGHK-UHFFFAOYSA-N 428.444 4.606 30 10 IJEE COc1ccccc1CCc1nnc(S)n1N=Cc1cccc(OCc2ccccc2)c1 2322071133 YGRZWHQYTVXFOM-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323035081 AZLFFFIKTYXIPA-UHFFFAOYSA-N 442.638 4.795 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2323629711 HMOGYCYFPMAPHI-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c(OC)c1 2324463779 IJBBFIJRYISIHU-IBGZPJMESA-N 445.515 4.856 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2324675338 KABVMEATRPKAEP-UHFFFAOYSA-N 448.471 4.786 30 10 IJEE CCOC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c1 2325532620 SDDUMMGWZCVFRY-UHFFFAOYSA-N 449.484 4.559 30 10 IJEE Cc1ccccc1C=Nn1c(SCc2ccccc2)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 2327861061 TWMSGCPRIYETBB-NRFANRHFSA-N 447.608 4.875 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2328636539 ITUIFTPGHVRTRM-UHFFFAOYSA-N 437.525 4.531 30 10 IJEE C(=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1)c1ccccn1 2329348867 CYIGBZNMWJLNLI-UHFFFAOYSA-N 429.549 4.607 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cnccn1 2330949158 WSYVPPWJXOYBQG-UHFFFAOYSA-N 434.879 4.982 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c(C)c1 2331396866 JCWHBUXDDNUQMK-UHFFFAOYSA-N 444.483 4.955 30 10 IJEE CCOc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2331444202 XLFOELHJYQPRNT-UHFFFAOYSA-N 439.541 4.958 30 10 IJEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2C(C)C)cc(OC)c1OC 2331703338 XRCWXFWKRFUBPE-UHFFFAOYSA-N 440.569 4.644 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)C=Cc1cccc(F)c1 2332202677 UDSITGDYMINYFJ-UHFFFAOYSA-N 439.450 4.509 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339575026 QNAXDUNELLJZPU-IEBWSBKVSA-N 443.397 4.784 30 10 IJEE Cc1cc(CN[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652821 IPXVNSJXNISSII-RPWUZVMVSA-N 435.417 4.768 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@H]4CCN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2365106016 ZTHCMDACKZHOGF-DVZRSZBPSA-N 445.416 4.685 30 10 IJEE C=CCN(CC[C@H](NCC)c1c(OC)ncc(Br)c1C)C(=O)OC(C)(C)C 2370385927 IHIXUGBTAUAVKQ-INIZCTEOSA-N 442.398 4.625 30 10 IJEE Cc1ccccc1N/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1cccc(O)c1 11166053 OIONSMMLXONAAD-UHFFFAOYSA-O 442.358 4.802 30 10 IJEE C=CCN(C(=O)/C=C/c1ccc(OCC#N)c(OC)c1)c1nc(-c2ccccc2)cs1 14723519 KDXIPMSOZSUFOK-ZRDIBKRKSA-N 431.517 4.953 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 34954449 TXCROEUHUBQGJE-PKNBQFBNSA-N 433.416 4.727 30 10 IJEE Cc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C4=O)cc1 41659334 ZKIWDAXDNMHPSW-FMCGGJTJSA-N 428.444 4.872 30 10 IJEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(N(C)C)cc1 54641656 MTNCRRMYKIFHRZ-OAQYLSRUSA-N 437.544 4.653 30 10 IJEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCC(=O)Nc2nc3ccccc3s2)n[nH]1 59023247 SWENIMLFOOFVHX-UGGFFWCESA-N 449.565 4.646 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C\c2cc(OC)cc(OC)c2)C1=O 103170174 SGEPRXRYEXSBJL-UNOMPAQXSA-N 425.506 4.556 30 10 IJEE CCOc1ccc(N/C=C2\C=C(Br)C=C(I)C2=O)cc1 135989453 IWTLEZAQDMGRRD-MDZDMXLPSA-N 446.082 4.562 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169958370 RALZOPJEIIOYJQ-JOCHJYFZSA-N 446.409 4.935 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccnc2)c1 170001235 UVNDDSCTLXWUPD-HSZRJFAPSA-N 427.504 4.547 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)c1 170051576 MIBGOXAZRHPTMH-OAQYLSRUSA-N 447.874 4.910 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)cc1 170113114 GMDYJMTYTHUBDU-DEOSSOPVSA-N 449.547 4.577 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1C1CCCCC1 170123900 CLEZBZPAQYKRGJ-XMMPIXPASA-N 447.531 4.931 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1cccnc1 170187985 BLPVPTJZINRCSC-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccc2)s1 170229699 OEEHXSFBUBJPEI-SFHVURJKSA-N 426.444 4.821 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)C)cc2)cc1 170244475 XZGOEXRNQBPYCX-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)cc1C 170257913 JWLWZJOKICQMRQ-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(O)c1 170263449 PWHCPRDAEBHPSF-LJQANCHMSA-N 444.325 4.923 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccco2)c1 170278950 KFDRNEQEWANXOY-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccco2)c1 170288924 DXCGHYICLKZODU-JOCHJYFZSA-N 433.460 4.865 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)cc1C 170291007 ZPCCKMVGMCCGIP-NRFANRHFSA-N 439.414 4.966 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170293049 FHSJQOLFOZPVRI-HXUWFJFHSA-N 434.835 4.853 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccco2)c1 170297071 OXPMIKYTQPPNTA-NRFANRHFSA-N 432.432 4.583 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1C12CC3CC(CC(C3)C1)C2 253561910 CQLRCYKTCNOUMD-UHFFFAOYSA-N 426.561 4.802 30 10 IJEE N#CC1CCC(CNC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 442732967 ACVAPLYKFGBROH-LEOMRAHMSA-N 427.936 4.609 30 10 IJEE N#CCCCOc1cccc(NCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 446640801 ZCFDERTYLDAFFU-SANMLTNESA-N 425.532 4.955 30 10 IJEE COc1ccc(-c2csc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)cc1OC 447457023 CIKIDCXYBSFFPH-UHFFFAOYSA-N 432.461 4.606 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCCN(CC(F)(F)F)CC1 460765568 AOOYTVIGMUJMJR-UHFFFAOYSA-N 447.427 4.614 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 490229917 JIOAZHANEQOJAH-UHFFFAOYSA-N 436.512 4.749 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606263 KCXHBVOHGJLHAQ-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(Sc2ccccc2)C1=O 526657650 VLFVKFYFBLRHHF-UHFFFAOYSA-N 441.512 4.946 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526802509 ISLDCCWOWAHYSX-UUYOSTAYSA-N 429.477 4.548 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C[C@H](c2ccsc2)O1 549539614 QAOVCDXYYZXTGX-WZONZLPQSA-N 441.560 4.893 30 10 IJEE C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC1 549683264 YOXHRTHWRZUTMN-PMACEKPBSA-N 445.567 4.738 30 10 IJEE C[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12)c1ccc(C#N)cc1 574298313 VUYOJULQWQUTSD-NIYFSFCBSA-N 433.511 4.794 30 10 IJEE CCOc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)cc1OCC 586196124 FUSFTVUCLWCTSE-UHFFFAOYSA-N 436.533 4.751 30 10 IJEE CCc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc(CSC)cc3)CC2)cc1 586509592 ZYQKWDCCLRXYKA-UHFFFAOYSA-N 447.622 4.559 30 10 IJEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 716118946 DOYILLFXIORMOU-DEOSSOPVSA-N 445.560 4.976 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCc3sccc3[C@@H]2CC)cc1OC 732214937 YWNXFEFHAIEWTC-IBGZPJMESA-N 430.570 4.822 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2oc3ccccc3c2C)C1=O 734300601 STJATCMLFLYPBQ-OAQYLSRUSA-N 435.549 4.626 30 10 IJEE C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccc2c(c1)OCCCO2 735319982 HPWDSKYCOUXQAV-AWEZNQCLSA-N 432.929 4.664 30 10 IJEE C=C(C)[C@H](CO)SC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 753856949 BJBHZYYVRQZTFC-FJJYYWMZSA-N 434.970 4.824 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 764989374 LSHJAESLIOZYGI-UHFFFAOYSA-N 441.988 4.568 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 800784649 PVAIJEVMLUBUIR-NRFANRHFSA-N 426.948 4.944 30 10 IJEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)cc1 1084335853 HFGYTELXLIBQPF-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE CC/N=C1/S/C(=C\c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C(=O)N1CC 1084418335 WFJNECPZYSYCNF-CQJVDGAYSA-N 433.533 4.700 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)F)cc1 1125466212 JBYXXQUSPXICOI-UHFFFAOYSA-N 436.462 4.876 30 10 IJEE Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1126461327 GMNWBVOAGXFDGZ-IEIRFRATSA-N 435.955 4.668 30 10 IJEE C=CC[C@H]1N(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CCCC1(C)C 1128576113 SZTABXHTKKNOGJ-HSZRJFAPSA-N 446.657 4.804 30 10 IJEE N#Cc1sc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)nc1Cl 1128833460 DYIAMWJDEDFNFZ-UHFFFAOYSA-N 426.672 4.810 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C(F)(F)F)cc1 1128866161 HNXOSDOHMVEZSG-INIZCTEOSA-N 447.287 4.978 30 10 IJEE CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(Br)c(C#N)n2)c1 1130237045 AZUHRWDVXDZSKV-UHFFFAOYSA-N 435.325 4.600 30 10 IJEE CCC(CC)N1C[C@@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1=O 1130331629 CZGVPVBMWMNZPI-NSHDSACASA-N 442.375 4.952 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccccc1 1134659305 XJBDAIRKHORIHP-SSEXGKCCSA-N 437.418 4.884 30 10 IJEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(CC)CC)c1 1140010703 UJKIOFYMPFKJNV-QFIPXVFZSA-N 447.000 4.501 30 10 IJEE N#Cc1cc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)ccc1Br 1179041657 ANWBCXCVUXWCEZ-UHFFFAOYSA-N 448.729 4.557 30 10 IJEE N#Cc1ccccc1N1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 1180546285 FTPWJPYWESDRHK-UHFFFAOYSA-N 440.263 4.542 30 10 IJEE Cc1cccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1C#N 1186123139 BCPPHYFYFGCFRV-UHFFFAOYSA-N 446.359 4.960 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3C)OC[C@@H]2C)ccc1Cl 1191075882 DEYIUVYSFQYLIP-WMZHIEFXSA-N 425.960 4.666 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1F 1194834869 SCDALDKCORXQLH-ZIAGYGMSSA-N 425.367 4.904 30 10 IJEE C#Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 1208017573 ZBVKDKSYRVIBOK-JOCHJYFZSA-N 434.948 4.913 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1cccn(Cc2cccc(OC)n2)c1=O)c1ccccc1 1210597667 SVNMQOAPZCZPQE-OAQYLSRUSA-N 432.524 4.519 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1214634529 CXWDRLBJBLUJBG-UHFFFAOYSA-N 438.450 4.934 30 10 IJEE C#C[C@H](NC(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12)c1ccc(Br)cc1 1219878883 UQNWJBJDTRYLMF-INIZCTEOSA-N 440.297 4.603 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(c2cccc(Br)c2)CC1 1227925388 YMADVMFIMQIQRB-UHFFFAOYSA-N 427.342 4.550 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](CC)c2ccc(Br)cc2)ccc1OC 1265124841 BFQYWNAJMZKHPV-RTBURBONSA-N 445.357 4.949 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)nnc1-c1ccc(Cl)cc1Cl 1278276369 NUPRROUARAQLLO-UMVBOHGHSA-N 437.396 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCSCC(F)(F)F 1286305412 MVWXRMHVNPLFPD-CYBMUJFWSA-N 448.967 4.977 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2ncc(C)s2)CC1 1286352637 MGTHWANIGGZECB-UHFFFAOYSA-N 441.551 4.709 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1286368363 SGWBBTSKTPRMFT-QGZVFWFLSA-N 437.828 4.684 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCSc1nccs1 1286423488 JTDGZAKJEKTJBO-UHFFFAOYSA-N 442.013 4.700 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCCN1CCC 1286438218 RVBKSPILONGKKY-PZJWPPBQSA-N 439.673 4.855 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286589844 IGXNSZZOWUXBKE-FQEVSTJZSA-N 439.604 4.922 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1286602097 XREZDRVTZWODTE-QFIPXVFZSA-N 437.632 4.795 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286693904 FTFOUVXNOOKNQM-QFIPXVFZSA-N 435.616 4.800 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1286710468 XVADTMXXCZKSPI-NRFANRHFSA-N 448.970 4.899 30 10 IJEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1288575874 BECOMTFJQQWYLU-HOYKHHGWSA-N 444.624 4.569 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H](C)c2ccc(OC)c(C)c2)nnc1-c1ccco1 1289063444 DPAQCXTZFDWXFU-INIZCTEOSA-N 427.526 4.828 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C 1293239570 AVEDJZBHBBAVBE-AWEZNQCLSA-N 430.467 4.646 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(C)C)CC2)CC1 1299770507 ARUFZMCEGACNSS-XMMPIXPASA-N 437.588 4.560 30 10 IJEE C=C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)c1ccccc1 1300154311 UEMDYEJEPIVSAO-PNJWGLBASA-N 442.600 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1300321801 NSHXLBAAIVNZRM-KJXAQDMKSA-N 447.627 4.969 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCC(=O)Nc1cccc(Cl)c1C 1300802484 QXHLJTOOGNBUCN-XMMPIXPASA-N 439.991 4.918 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CC=CCC1 1300950356 BBBCOUVKABAEKC-WOJBJXKFSA-N 429.609 4.761 30 10 IJEE C=C(Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1301008215 YIZCBCLSRZEIDV-VQIMIIECSA-N 427.474 4.997 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1301023060 BPGWLUMBQKOZDK-LJQANCHMSA-N 439.972 4.816 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2nnc(C)s2)CC1 1301066966 UVFPZEYPTPWPEV-INIZCTEOSA-N 442.564 4.506 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2c(C)noc2C)CC1 1301109162 GIYMIYLMWRYRDY-SFHVURJKSA-N 439.535 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301139165 LQMPHTLRTVFMTJ-QAPCUYQASA-N 448.409 4.643 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccn(C)n1 1301168909 WNXIWQVUJYDUHZ-UHFFFAOYSA-N 443.393 4.672 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)N(CC)CC 1301310602 SBRQPHVKOGOACW-DNVJHFABSA-N 439.648 4.902 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCOC1 1301399182 IGYUKGLSDOFXHJ-HXUWFJFHSA-N 437.975 4.655 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)s1 1306001169 DFIGILVEBCAXOS-INIZCTEOSA-N 447.568 4.686 30 10 IJEE COC(=O)[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c2ccccc21 1310604281 IBBHMZLQRZQEDY-YADHBBJMSA-N 427.460 4.874 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)cnc1F)c1ccc2c(c1)OCCO2 1348530411 UQYRSBHHESABRL-UHFFFAOYSA-N 434.467 4.712 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 1352621517 SLRGHEQGQSXWMR-DEOSSOPVSA-N 448.563 4.617 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccccc2F)c1 1357803141 FHVFZRUHSDMMDJ-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ncc(CC)s1 1358906136 XIHKYGTUKBCPLG-UHFFFAOYSA-N 445.596 4.794 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1358906584 MQEVQLVDCKXDQO-QGZVFWFLSA-N 436.478 4.545 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCSC1 1358938863 KUWQDSYJDQOCAA-MSOLQXFVSA-N 433.021 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1359116952 OWBQPDKAGNCROL-LGGPRVQUSA-N 428.552 4.662 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359128834 HMTUTAPZZQDKQR-HXOBKFHXSA-N 430.980 4.969 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)CCOC)CC1 1359174595 INSLMOGCLBAPTG-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1359186012 QSXCJDHLGAJARY-OKXSDPAFSA-N 439.629 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359191923 PWCQQHNGMKMNOD-OAQYLSRUSA-N 448.615 4.570 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359201259 IEWMDMOMSXFADQ-DNVCBOLYSA-N 433.478 4.939 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC2(CCOCC2)C1 1359210213 MNNRXTJRDRJZFU-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1nc(C)c(C)s1)C1CC1 1359248047 YIYNQOAUGQLERK-UHFFFAOYSA-N 447.406 4.507 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCC(F)(F)C1 1359257340 IAFYGYMHMDVNQM-FQEVSTJZSA-N 445.558 4.825 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1359259255 PWQUTWSSTPITTO-OAQYLSRUSA-N 439.604 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@@]1(C)OCCc2sccc21 1359273384 YIZSSDQWBRXCPH-XMMPIXPASA-N 438.572 4.736 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1359524401 GPJVUEXWXSKGJE-RTBURBONSA-N 429.515 4.503 30 10 IJEE C#CCSCC(=O)Nc1cc(-c2cccc(Br)c2)sc1C(=O)OCC 1435250159 PUVCMDZSTLAAGZ-UHFFFAOYSA-N 438.368 4.659 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1435988259 BJCIGWKMHGAPTD-AOBSDOCKSA-N 444.531 4.670 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)nc(Br)c1)c1ccc(Cl)cc1F 1436653854 JNYWEWKDXNKWQD-LBPRGKRZSA-N 446.501 4.503 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1459423088 CYJPNIONKJUCDU-BLVKFPJESA-N 438.742 4.919 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cscc2Br)nnc1-c1ccco1 1460423453 BUPRVCYKPIHKOV-UHFFFAOYSA-N 439.360 4.669 30 10 IJEE COC[C@]1(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)OCCc2ccccc21 1460588614 FNWHVLCHSZIKLN-SANMLTNESA-N 444.556 4.554 30 10 IJEE C#CCCCCCC(=O)N1CCOC[C@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1462971898 DTZXKWFGUIVSRZ-LEWJYISDSA-N 440.584 4.727 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1464803511 FMFPTRIPDSARHC-FYWRMAATSA-N 432.398 4.707 30 10 IJEE C[C@H]1CN(c2cc(F)cc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)C[C@@H](C)O1 1466993075 DQTFLFDVCGDWKU-VBVDBJQASA-N 436.531 4.743 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CC2)c(Cl)c1 1467576252 GGSLXNBBJSLWNJ-UHFFFAOYSA-N 433.726 4.962 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC)c1ccc(Cl)cc1 1470662960 MDFWUVSINDZJPN-NWVWQQAFSA-N 439.003 4.660 30 10 IJEE C#CCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)C 1471998722 XAURELAMQWDKGA-DFBJGRDBSA-N 432.564 4.810 30 10 IJEE N#Cc1c2c(cn(CC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)c1=O)CCC2 1473024047 CGMPSGLAMRXADH-UHFFFAOYSA-N 435.936 4.652 30 10 IJEE N#Cc1ccccc1OC[C@@H](O)CNC1(c2cccc(Br)c2)CCCCC1 1473566634 BLKIEGPUYVIGKA-FQEVSTJZSA-N 429.358 4.510 30 10 IJEE C#CCN(C(=O)Nc1nc2c(s1)CC(C)(C)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 1476760655 CGVHDAMWYROOJT-UHFFFAOYSA-N 446.617 4.525 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(Cl)c1 1477146964 KEQXIMZDRKBXJD-GOSISDBHSA-N 447.926 4.708 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1)c1ccc(Br)cc1 1478023481 KKGMJJJVJXAUFD-BVSLBCMMSA-N 441.369 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1507542440 QEZQKPVSIWSCQO-SFHVURJKSA-N 447.608 4.565 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1507580473 FWYAGHNTQCDPNP-JKSUJKDBSA-N 431.378 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@@H](C)C1 1507764616 NVVIIYYHGKIVKL-SZEHJLNQSA-N 449.643 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC1(C)C 1507809124 SPBSCXRCGKHKPJ-UWJYYQICSA-N 430.980 4.871 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1507926682 IANMIXYDPRFQSY-IBGZPJMESA-N 427.593 4.582 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1c(F)cc(F)c(F)c1F 1507929449 QLBIGQIKABDBBK-OAHLLOKOSA-N 440.485 4.959 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(C)C1)c1ccccc1 1507930730 ZLGGNSKECLEEKY-NRFANRHFSA-N 447.608 4.786 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1507934626 HZMVTOGYSAXVSZ-VQTJNVASSA-N 429.634 4.986 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OC(C)C)CC1 1507953033 CMUOLWWONVLXBU-FQEVSTJZSA-N 447.624 4.710 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC[C@@H]1CCCCO1 1507999964 SJKFJPWCAGSCJM-XZOQPEGZSA-N 435.572 4.543 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](F)COC 1508008600 HJTVTQHVMNTQKX-GOSISDBHSA-N 437.544 4.732 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(C)CCCC2)ccc1OC(C)C 1517953873 GSONGBFBUJLKJT-GOSISDBHSA-N 425.577 4.917 30 10 IJEE C=CC(C)(C)CC(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(OC)cc1 1523581614 NWXZRXCTQVXTAG-FDDCHVKYSA-N 445.581 4.591 30 10 IJEE N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1528079591 CEDMPVOZIHAYGZ-AUUYWEPGSA-N 427.298 4.941 30 10 IJEE C=CCc1cc(CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)cc(OC)c1OC 1528668933 IKDOIQGVBNCJJA-UHFFFAOYSA-N 448.332 4.682 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4cc(Cl)cc(Cl)c4[C@H]3C)cc2C1=O 1532214831 CMQUZJBOPVMXIF-GFCCVEGCSA-N 429.303 4.535 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 1536043652 NQFDXYVCNOJANI-UHFFFAOYSA-N 448.441 4.904 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2[C@H](C)C[C@H](C)[C@H](C(=O)OCC)[C@H]2C)s1 1537847663 DSOYKQCPEPZDJF-XZKYRNBSSA-N 445.050 4.663 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(Br)c(F)c1 1538053494 TXNAPFBMEFDDIL-OAHLLOKOSA-N 428.302 4.504 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2ccccc2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1538619119 VKWSXCYMGIETMP-QFIPXVFZSA-N 434.561 4.542 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2ccc(Cl)nc2C1 1539079197 PJXBNXQCHAZJPX-UHFFFAOYSA-N 449.986 4.889 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCC(C(F)(F)F)CC1 1539350463 MKVZRDQJIJLFSS-UHFFFAOYSA-N 435.450 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1539624518 TWFHTHKNPIGPMC-ZWOKBUDYSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC(C)(C)NC(=O)OC(C)(C)C 1539660121 SZEQYFZCPCBXGV-UHFFFAOYSA-N 427.593 4.959 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2nc(C)cc2C)CC1 1539836631 VSTFTGVIAFDXIR-UHFFFAOYSA-N 428.943 4.798 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC2(C)C)CC1 1539847121 ADQANPRITJYGHS-IBGZPJMESA-N 429.609 4.595 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cccnc2OC)CC1 1539859399 OEJRLWPQJUZMGV-UHFFFAOYSA-N 441.988 4.832 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1539897707 JBCZMYIVEMZIRS-JOCHJYFZSA-N 437.632 4.690 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1539940277 PMKFUGHRSZLZOR-AZUAARDMSA-N 442.567 4.686 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1539989505 WNWLAQOIBGQJFT-SFHVURJKSA-N 429.996 4.697 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC(F)(F)C1 1540086794 BODHFRJGOKRGIH-AWEZNQCLSA-N 441.320 4.677 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCC)[C@@H]3C[C@H](OCC)C34CCCC4)n[nH]2)c1C 1543998084 TXTGGYNTTGUADN-YADHBBJMSA-N 439.604 4.666 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 1560626817 BZLYRTFICIDAOV-IBGZPJMESA-N 438.291 4.850 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)Nc3ccc4c(c3)NC(=O)C4)cc2Cl)c1 1562320178 DVEISFCDGAQCMG-UHFFFAOYSA-N 432.867 4.929 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC=C(F)C1 1566918942 DJEFTMKGZXYELL-DEOSSOPVSA-N 434.511 4.946 30 10 IJEE CC(C)CCOc1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)cc1F 1584964050 CLQVERYDELCHHQ-UHFFFAOYSA-N 435.293 4.902 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 1585089593 BBEXBVYBGGNXBR-UHFFFAOYSA-N 425.554 4.516 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1586782336 IJCYDZNYMNYBLV-SREVYHEPSA-N 435.364 4.541 30 10 IJEE N#Cc1ccc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1Br 1587164090 CJKPLDTVEMDHRN-UHFFFAOYSA-N 435.203 4.778 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)s1 1587549286 CNMITRTYOQSBFW-QGZVFWFLSA-N 436.046 4.744 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC=C(Br)C1 1587783782 XRFIRRWRLDRMLY-UHFFFAOYSA-N 443.389 4.766 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCSC1 1587786900 CSQPBYDMQUHBGZ-HXUWFJFHSA-N 426.630 4.900 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCSC1(C)C 1588482298 PXXIVFIWFYBQEM-LJQANCHMSA-N 437.588 4.594 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N 1588984868 LCIUVXDZAHKPJZ-ROUUACIJSA-N 446.020 4.793 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@H]21 1589124533 ABJPOXPAAYKABE-XRXFAXGQSA-N 430.662 4.722 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1ccc(OC)cc1 1589506615 YQXSGUZBINULQO-OFNKIYASSA-N 436.556 4.863 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1589559451 RPOFACZQDMFDII-HFMPRLQTSA-N 438.616 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC1 1589567521 DRRMOIXFGNZNTJ-HYBUGGRVSA-N 438.616 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C(C)C)cs1 1589687281 AHQDWBAJPZPSOD-UHFFFAOYSA-N 436.585 4.759 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1594218756 RITZJYJXCBDXEZ-SZPZYZBQSA-N 446.643 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1594461212 MKYJPAJSAJXUHS-UHFFFAOYSA-N 431.544 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnn(C)c1 1594491487 BGFMSOALPXXFOC-UHFFFAOYSA-N 431.544 4.572 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCCO1)c1ccccc1 1594552203 JDXUMRFRJIDHMN-BJKOFHAPSA-N 448.615 4.505 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1594582623 RURWOOLNOYKTSZ-PKOBYXMFSA-N 429.996 4.636 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(C)cs1 1594829595 MMHVYIAHTNOLAW-WOJBJXKFSA-N 432.634 4.796 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)OCC)C1CC1 1595037895 LSDFPAKPRNZAPD-UHFFFAOYSA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC1(C)C)C1CC1 1595038356 VBDFQTOBWIWTCB-OAHLLOKOSA-N 431.378 4.917 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1595330560 XQRBERXVYQJBOD-MRXNPFEDSA-N 430.350 4.729 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1595860355 MRJZVZQEXXKLES-MRXNPFEDSA-N 428.631 4.784 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1595879696 ZJZGNLANMCHTDI-RBUKOAKNSA-N 447.674 4.549 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N(C)Cc1csc(Br)c1 1595884326 KMTNUAXCJKQHOJ-UHFFFAOYSA-N 429.453 4.856 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1OC 1621203913 UOZTVRMVDUCULF-UHFFFAOYSA-N 429.870 4.966 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccccc1 1621946148 KUIZFNSHQOPJJC-KRWDZBQOSA-N 439.331 4.652 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1624769349 DSCFDEPWFFSVSE-UZLBHIALSA-N 448.991 4.949 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)cc1 1624948934 VDTMVJPABQRNDE-UHFFFAOYSA-N 436.512 4.544 30 10 IJEE C#C[C@H](C)NC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1625828824 YWRYSRNMIMPHRS-VQTJNVASSA-N 430.548 4.566 30 10 IJEE C=CC1(CC(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)CN(C(=O)OC(C)(C)C)C1 1630949735 JGJWFCQODOQMAQ-UHFFFAOYSA-N 449.523 4.764 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Oc3ccc(F)cc3)CC2)cn1 1633929221 AVGKLWPSNWLBGU-UHFFFAOYSA-N 436.874 4.500 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1634164077 ZYXQGGWBBXKAHQ-OAQYLSRUSA-N 442.478 4.712 30 10 IJEE C#C[C@H](NC(=O)c1cccc(COc2cccc(C=O)c2)c1)c1ccc(Br)cc1 1637663052 LUDRTDKRXLQOLI-QHCPKHFHSA-N 448.316 4.945 30 10 IJEE C#CCN(C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1641795712 PLOFHVUZJLEOMQ-MOPGFXCFSA-N 438.724 4.734 30 10 IJEE CC[C@H](c1ccc(F)cc1F)N1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1644609440 GBTKTDLHFDGABV-OYHNWAKOSA-N 446.929 4.586 30 10 IJEE CNC(=O)c1cc(Oc2cccc(Oc3ccc(C#N)c(Br)c3)c2C)ccn1 1650831628 FJAKRVGVUADHRX-UHFFFAOYSA-N 438.281 4.968 30 10 IJEE C#CCN(Cc1ccc(Br)o1)[C@H]1CCOc2ccc(Br)cc21 1651992206 KRWUWNXZHNJPIZ-HNNXBMFYSA-N 425.120 4.764 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 1652322138 MAHQKULCGAOABH-FQEVSTJZSA-N 428.532 4.941 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C/C=C\c2ccc(Cl)cc2)CC1 1653176180 AJMZACVUIPCKHQ-MLBSJROLSA-N 430.777 4.998 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)c2C#N)C1 1654484332 CZHJVLPZTKBMAI-HKHXBQBMSA-N 443.657 4.893 30 10 IJEE C=CCn1c(O)nnc1SCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 1656377972 ANACTUZJVLEZJV-UHFFFAOYSA-N 430.917 4.655 30 10 IJEE COC(=O)c1ccc(COc2ccc(CN[C@@H]3CCCc4cc(C#N)ccc43)cc2OC)o1 1660053247 DEGCTCOSYPFHCS-JOCHJYFZSA-N 446.503 4.693 30 10 IJEE Cc1c(S(=O)(=O)NCCc2cn(C)c3cc(Cl)ccc23)sc2ccc(C#N)cc12 1662801559 BHILYSCHAICCHZ-UHFFFAOYSA-N 443.981 4.748 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(Br)cc2NC(C)=O)cc1 1664504002 FCOBGQFSRCOKGJ-UHFFFAOYSA-N 442.357 4.834 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)CCOCC1 1665431235 UFFZCAMQUHXJMQ-UHFFFAOYSA-N 443.341 4.722 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1667855996 OGJZMSACLKTMES-UHFFFAOYSA-N 438.450 4.792 30 10 IJEE CC(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](CC#N)C2)NC(=O)OC(C)(C)C)cc1 1668529450 CXIKJDMOMUAISQ-NQIIRXRSSA-N 428.577 4.711 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 1670845273 LVQMGPNTNFZIBI-MRXNPFEDSA-N 432.362 4.656 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(Br)c(C#N)n1 1672168667 DAQKQUNFRHTTEC-SNVBAGLBSA-N 427.224 4.959 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cc(Br)cc(C(=O)OC)c1C 1672433159 SDQSNHRLZFTHIN-UHFFFAOYSA-N 431.330 4.807 30 10 IJEE CC(C)C(=O)NCCN(C)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1672869262 DCAHDQJOZUCQAT-UHFFFAOYSA-N 430.961 4.599 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1 1681032623 WOBBCXKJPMHCTL-UHFFFAOYSA-N 440.341 4.763 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br 1683313438 VCZAKTJHERLJSS-YYWHXJBOSA-N 429.358 4.771 30 10 IJEE C#CC[C@@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)C1 1685490467 FEDMNMRLZFBLFL-LSDHHAIUSA-N 432.387 4.997 30 10 IJEE C#CC[C@H](NC(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 1685763993 NOSVLTOPBVVARU-GOTSBHOMSA-N 433.552 4.585 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1689882800 MPEOVEFDUIIFCK-XMMPIXPASA-N 449.643 4.848 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@@H](C)C1 1690038462 QGTHFIGYEZYFFW-IEBWSBKVSA-N 439.401 4.915 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)OC 1690195802 PSGPCTSTHVAYIJ-XMMPIXPASA-N 435.597 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(C)C)CC1 1690272611 DXLLIQCUQPHFFU-KDURUIRLSA-N 431.625 4.887 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690276261 TUXRGKLEJMUQQK-RTWAWAEBSA-N 439.604 4.842 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690295763 NVAGOOMPOCXMQN-UWWQBHOKSA-N 437.371 4.601 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)C[C@H](C)C1 1690332465 ATPQWWIAPQKOPU-STQMWFEESA-N 439.785 4.951 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1690347957 WEKXWQLGJIAEJO-QAPCUYQASA-N 429.754 4.781 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1690349433 YVRSQERIEKYCSE-UHFFFAOYSA-N 428.005 4.920 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1CC 1690480666 MQPDNNFJZNEOSH-WIYYLYMNSA-N 434.588 4.827 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC1C[C@@H](C)O[C@H](C)C1 1690556108 MXENURRSQHIGRB-WOJBJXKFSA-N 449.599 4.688 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H]1CCO[C@H]1C(=C)C 1690572286 YFIFADNBZWXZDY-RDGATRHJSA-N 447.558 4.577 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CC[C@](C)(CC)O2)C1 1690690180 SPZYIQQDTCMGRT-PNCHPQGNSA-N 448.970 4.867 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](CC)Oc2cccc(F)c2)C1 1690697419 VCEUOPJWRUSAEW-IRLDBZIGSA-N 428.552 4.714 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1690735683 GBDKCBWRGDJXQS-IRXDYDNUSA-N 433.419 4.862 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)SC 1705500820 BFEOFLJVLHXPQU-ZDUSSCGKSA-N 427.401 4.763 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)CC 1705711575 PHGJYACOJVKGFX-HSZRJFAPSA-N 425.602 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC[S@](=O)C(C)(C)C 1705711597 AEMLJLKTBLGVLK-NDEPHWFRSA-N 426.989 4.687 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CCSC2)C1 1705732708 ADALGISTQKKHON-NRFANRHFSA-N 436.984 4.664 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 1705741574 TUAGYOGICCZFED-FPOVZHCZSA-N 437.632 4.882 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705800585 BZOXSHKJMZHZOJ-ZWKOTPCHSA-N 432.012 4.882 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1705804880 QRRHGYKRLJSSKB-FYYLOGMGSA-N 445.615 4.581 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1705887264 WQYPVHXSZYGJGH-XLIONFOSSA-N 442.560 4.990 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](OCC)C1 1705940613 KHUFPPVJGVDBPY-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](OCC)C1 1705941876 ZIDNTTLJZUMUMP-QGZVFWFLSA-N 437.009 4.532 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705949069 NJTKQICNFWAUJE-YADHBBJMSA-N 442.629 4.541 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)Cc2cccs2)c1 1707624222 CLUZRFAMUXOMNC-IBGZPJMESA-N 435.597 4.846 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H](SC)C(C)(C)C 1722418233 JUCGNKAWZMNZNZ-OAQYLSRUSA-N 439.604 4.840 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CCSC 1722452192 MPLHAWMLAGCHEF-GOSISDBHSA-N 439.654 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1722467520 TWIOOUWTQLEOHY-CFGBTRHTSA-N 440.563 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCc1nccs1 1722472565 HJPQCPVVHLTLEB-JOCHJYFZSA-N 425.989 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCC(F)(F)C1 1722518499 OGNXXMSXGLSZPY-QYZOEREBSA-N 426.552 4.620 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[C@H]2CC)CC1 1722560609 FSMXVSSZLVPQES-RTBURBONSA-N 440.588 4.954 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1722562641 GZAXERHIIYPBGT-QFIPXVFZSA-N 444.366 4.711 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722591052 DLPAYFIMNWSVRF-UHFFFAOYSA-N 448.596 4.818 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Br)cc1 1722616925 CLBXEFNMCHBWQU-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1ncc(CC)s1 1722659530 XIJGIZZGZZWUTB-UHFFFAOYSA-N 434.544 4.739 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC2(CCC2)C1)C(C)C 1722665868 OQYFWSSQEFALIF-YADHBBJMSA-N 427.637 4.599 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C 1722735140 MWGQWOUICMTJAG-GOSISDBHSA-N 437.613 4.725 30 10 IJEE CC(C)(O)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C#N)CC1 1723035019 FDXKRHZJJQYBAP-UHFFFAOYSA-N 439.560 4.714 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1Cc1nc(C(F)(F)F)cs1 1729409344 FJWOCJVSGKPQJL-UHFFFAOYSA-N 448.518 4.898 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccoc1 1731188558 BFUYTBYJDFZKJX-UHFFFAOYSA-N 444.308 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)N(C)C 1740664939 JIHBLHPBFZBTJW-NRFANRHFSA-N 431.987 4.708 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1740746033 CKOVIZIGCPMPTR-GJZGRUSLSA-N 446.418 4.589 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1740759717 LAWCTNNDIBAFNV-UPSSIMKTSA-N 429.634 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740766057 BJKCONZCEGUPJC-GBWYYYKWSA-N 442.579 4.901 30 10 IJEE C=C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](F)COC)CC1 1740819304 LLJAXJQAWNKZFN-SFHVURJKSA-N 427.549 4.518 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1740828704 UPTKBMSXVAVUBL-UHFFFAOYSA-N 425.524 4.885 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](CC)OC)CC1 1740835614 NAVKXMQSPZGFQJ-GOSISDBHSA-N 433.394 4.843 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1740860320 ZSKCUOFZTMTPAH-ZWKOTPCHSA-N 428.577 4.810 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCN1CCC(C)CC1 1740913284 CCHOFPWMGVMMEM-UHFFFAOYSA-N 439.648 4.800 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1740996261 KFIKIPHHXYMJPM-CVEARBPZSA-N 442.555 4.768 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCC2)n1Cc1cn(C)nc1-c1ccccc1 1741517358 AWCXQPDJZBSESZ-UHFFFAOYSA-N 431.588 4.761 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(C)C)cs2)CCS1 1745000262 FPPAOHDEPPOYMD-GOSISDBHSA-N 438.626 4.777 30 10 IJEE CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1745630125 GGGATFFEAVYLEG-UHFFFAOYSA-N 443.599 4.795 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1748834322 JHNNGYWRKFDKAJ-NFBKMPQASA-N 443.378 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCCC[C@H]1C 1748915032 RUXTZNAOBPVRKN-VQTJNVASSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C(C)C)CC1 1748915551 XSVZSBOXNIWLPU-UHFFFAOYSA-N 431.378 4.612 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C(C)C)C1 1749026131 FOBQYCKSNBJPOE-HXUWFJFHSA-N 442.629 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](OC)C(C)C 1749054325 RSDFQJRFRQDTPJ-KPDCDPCYSA-N 430.980 4.735 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](CCOC)C1 1749085580 BVQXIKINYHOATK-MJGOQNOKSA-N 433.394 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1749287788 AWZVTDJSSCWKOG-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2snnc2C)CC1 1749312649 RAIIMZOTYUADQI-UHFFFAOYSA-N 438.601 4.654 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC(C)(C)O)CC1 1749347965 IJHCPROXTNBBFV-UHFFFAOYSA-N 426.605 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](OCC)C1 1749357545 UMZXQSOSCITWMN-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc2c(c1)OC(C)(C)O2 1749387094 RUKXUZNMZIRCEZ-IBGZPJMESA-N 426.561 4.520 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1749390380 FQEGZDFWOOSJFW-UHFFFAOYSA-N 429.996 4.764 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(OC)cc2C1 1749416023 SUZCEUDIXLXMCH-UHFFFAOYSA-N 442.361 4.573 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1749433634 QDTCSHDRIWRKPW-UHFFFAOYSA-N 439.579 4.645 30 10 IJEE C=CCCCn1c(N(C)Cc2c(F)cccc2Cl)nnc1[C@@]1(OC(C)C)CCOC1 1749440202 UTJULHOBPSGBTI-JOCHJYFZSA-N 436.959 4.714 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1Cc1cc(Br)ccc1OC)C1CC1 1749519057 DZVYWBFAZYTDQZ-UHFFFAOYSA-N 433.394 4.841 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1sc(C)nc1C 1760098092 OHTHKKWFXBODJF-HIFRSBDPSA-N 429.977 4.651 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1760163794 BUBDKXKGVTWYJV-VIQWUECVSA-N 428.552 4.610 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)C(C)C 1760195397 DHMOVDCIWHSEAL-UHFFFAOYSA-N 431.353 4.602 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(CC)C(C)C 1760289928 UBLFCYASHGYUPF-NTKDMRAZSA-N 444.023 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCCOCCC(C)C 1760292735 HKHDINKHZBEYLD-AREMUKBSSA-N 433.600 4.882 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1760343889 BKHNYPQGMHDCII-IBGZPJMESA-N 430.980 4.729 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1760385057 KUSGDTVFAOMAFS-AVRDEDQJSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1760414606 WXVWGUVLXJZBEX-UXHICEINSA-N 445.652 4.963 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCCOC(F)(F)F 1760486037 AXVZKRBAPHYVGB-INIZCTEOSA-N 430.496 4.700 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760560650 BCAVTPDGRXBYMC-IBGZPJMESA-N 445.589 4.556 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1 1760561002 MVVBWZVJOMTGOJ-UHFFFAOYSA-N 446.418 4.757 30 10 IJEE CC(C)(C)OC1CC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)C1 1760794391 BYCUJPRXFVZJNV-UHFFFAOYSA-N 429.515 4.646 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1)OC 1763464260 FLTACEBCSYYWTA-AUSIDOKSSA-N 439.604 4.665 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862438270 KIZKJQSZTWLMDX-KRWDZBQOSA-N 436.291 4.696 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1862443904 REZGKAWXPJTRBI-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 1862448182 HTXFFTBNMCBWNJ-IBGZPJMESA-N 438.823 4.620 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862460223 TTZGHAAJSQCMSM-YUNKPMOVSA-N 433.426 4.879 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(Br)cc1 1862470359 LXIYWYDSPUVRIJ-LJQANCHMSA-N 437.293 4.671 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3c(c2)OCCO3)ccc1F 1862511455 OUJTWVMCWUDHBT-JOCHJYFZSA-N 439.483 4.530 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OCc2ccccc2C)cc1 1862571185 UXUBXBHFKDMVQU-XMMPIXPASA-N 442.515 4.754 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC)cc1 1862618948 KHORLIZMKWNEPR-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1F 1862639083 QHGCYKHGFIVIIC-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862678020 JIUKHUAWMUMMIZ-HSZRJFAPSA-N 438.543 4.869 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)cc1 1862689374 PFQIJNHXIZJKED-NRFANRHFSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2c1 1862720708 CDQOGXOANFQIPW-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1Cl 1862916976 JUMDONSCPZFMSJ-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2cccc3c(O)cccc23)C1=O 1862926548 SUNUMRUIKAEWMK-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)CC)cc2)=C(c2cccc3ccccc23)C1=O 1863227758 GILGUXZZTWQCCW-UHFFFAOYSA-N 425.488 4.566 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1863314373 NXSOWSIRHMVUTD-OAHLLOKOSA-N 429.426 4.790 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863320692 CXZWHADCULDMFK-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1cccc(C#N)c1 1866657626 WFZBXJKOCVYTEM-NRFANRHFSA-N 448.498 4.517 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868575886 NBYPTRWYAAFYDM-HSZRJFAPSA-N 434.503 4.732 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(Oc3ccc(Cl)cc3)CC2)nc(CCOC)n1 1869111154 VRDIYEKMNYVMEJ-UHFFFAOYSA-N 442.991 4.545 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)nc(C)n1 1869290379 SVVRGCAOVPRDCE-HXUWFJFHSA-N 427.390 4.937 30 10 IJEE CCN(CC)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccc(Cl)c(Cl)c2)n1 1870056103 PNQJKUYGOFWFQC-UHFFFAOYSA-N 429.311 4.544 30 10 IJEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c1 1870145150 UVYCEBMYIZMMPJ-UHFFFAOYSA-N 437.931 4.824 30 10 IJEE CCCCCCCOc1cn(CCCOC(C)C)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870411996 VKYZBCJBJPNBCV-SZPZYZBQSA-N 436.637 4.622 30 10 IJEE C#CCOc1cn(CCN(CC)CC)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871008065 FMGASSPKEJZESJ-UHFFFAOYSA-N 445.563 4.607 30 10 IJEE CCCCCCCCNC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1 1871276373 CRYZDDDMGPYMOH-UHFFFAOYSA-N 442.375 4.965 30 10 IJEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871364486 OLLIKMDJWFIVPR-GRSHGNNSSA-N 436.261 4.988 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c1 1871396775 VCQSJOREBCIBLQ-IHBCXDABSA-N 437.536 4.812 30 10 IJEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871428451 BVMCVTDZZWALSR-MOSHPQCFSA-N 430.884 4.613 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872093125 OOQRZSVNPXNEEL-QHCPKHFHSA-N 428.598 4.850 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872559253 JUKNNUJQTZBDKG-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(Cc4cccc(Cl)c4)CC3=O)sc2C)cc1 1872724625 MPLSCHAYIGLHDY-UHFFFAOYSA-N 439.968 4.883 30 10 IJEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(OC)c1 1872763729 SNUXTABAWKOJOP-WGLAMXGCSA-N 435.461 4.625 30 10 IJEE CCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873038905 WILFYWLBZXHNEJ-QHCPKHFHSA-N 449.595 4.686 30 10 IJEE Cc1ccc(CCN=c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(C#N)c3)[nH]2)cc1 1873478596 MFJBKYZXYYINKW-UHFFFAOYSA-N 445.530 4.816 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3ccncc3)ncnc21 1873618319 JWBIUBWKLUOSNW-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccnc1 1874196673 WCOWDHPJCLTRCV-MFKUBSTISA-N 437.569 4.719 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cccc(F)c1 1874476284 IZZQEXCPPSKJIW-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2sccc2C)cc1 1874494331 WSRQZBGZGTYCFF-WSDLNYQXSA-N 425.583 4.837 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(S)n1/N=C/c1c(O)ccc2ccccc12 1874568235 NDAKCABWPHDQNR-MFKUBSTISA-N 432.549 4.936 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1 1875119302 NJMJABCQVRCOLO-UXBLZVDNSA-N 439.370 4.997 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)COc1ccccc1 1875133051 BFKYTSGLDXUTQB-SDNWHVSQSA-N 432.472 4.893 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150275 FEKTVOORDFOBDK-XYOKQWHBSA-N 432.428 4.548 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1C 1875186805 KXBWEIXNGIJIKJ-MDZDMXLPSA-N 447.487 4.840 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cc(-c4cccs4)on3)cc21 1890734682 HSMVJNCVCYTZTG-UHFFFAOYSA-N 437.521 4.522 30 10 IJEE CN(CC1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)c1ncccc1C#N 1890869237 YINMMOIGMWDAAM-UHFFFAOYSA-N 436.865 4.614 30 10 IJEE CCC(C)(C)N(CCC#N)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1902372210 SJFFDTDLUSIJST-UHFFFAOYSA-N 445.563 4.989 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(CNC(C)C)c(Cl)cc1Cl 1914946452 NIMCVDYZFATOGZ-UHFFFAOYSA-N 427.397 4.868 30 10 IJEE N#CC1(C(=O)Nc2cc(Br)c(Br)c(Br)c2)CCC1 1963521493 ZHVRRKAIGPPESC-UHFFFAOYSA-N 436.929 4.606 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NCCCB1OC(C)(C)C(C)(C)O1)C(C)(C)C 1999365761 QKAAUQHQGFSGNP-XHDOVSQSSA-N 446.463 4.506 30 10 IJEE C#CCN(C[C@@H](NCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2058343041 XUHDOVQQOBVXDK-CQSZACIVSA-N 433.749 4.763 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCCCC1 2060819273 AEXOEDLPRFOCTK-FPOVZHCZSA-N 443.588 4.608 30 10 IJEE CC#CC[C@@H](COc1ncc(Br)c2ccsc12)NC(=O)OC(C)(C)C 2078079954 VPEXDZLXJANOQR-LBPRGKRZSA-N 425.348 4.744 30 10 IJEE CC[C@H](c1ccc(C)c(F)c1)n1nc(C2CC2)c(/C=N/O)c1I 2079107603 BHTIZEQSTYKZIB-UPWAIKHBSA-N 427.261 4.620 30 10 IJEE CC1(C)OB(c2cc(Br)c(OCc3ccccc3)c(F)c2F)OC1(C)C 2080108093 YDVHAXZQOMRAHF-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1F 2080119866 RIMSXZYQKORVPQ-ZDUSSCGKSA-N 436.203 4.620 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCCC 2145527835 CNCAMRJLUVGMHG-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE C=CCC1(NC(=O)c2cc(C)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2174762360 ZPJFEQBNXDSERC-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)c1ccc(C#N)cc1 2181044900 DKVSWYPNLFUOPY-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(Oc2cc(Br)cnc2C#N)CCCCC1(C)C 2201531895 AZJYPAPGABFBOP-HXUWFJFHSA-N 438.366 4.958 30 10 IJEE CCCc1ccc(C#C[C@H](N)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223316530 SNKAMRKTSPWKHH-LOSJGSFVSA-N 436.596 4.818 30 10 IJEE Cc1cnc(NCC2(N(C)Cc3ccccc3)CCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2232272205 ZONZDHSMMFNOOI-UHFFFAOYSA-N 435.421 4.546 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)CC#CC2CCCC2)C1 2251529215 LTEXEPUDLZKKID-SANMLTNESA-N 425.569 4.983 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255605003 JDOQSFUEXYKAPH-OKILXGFUSA-N 434.317 4.984 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1nc(C)c(Br)s1 2261838001 XNLNALQPQAWCAZ-MRXNPFEDSA-N 426.332 4.519 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266704943 BIKYYKGTTAKONT-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE C[C@@H](Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)c1cscc1Br 2269009868 MEHQTXBSTZXNAO-SNVBAGLBSA-N 427.148 4.517 30 10 IJEE CN[C@@H](C#CC1CCCCC1)c1cc(Br)ccc1I 2273977502 PMPHSEGBZFPBKF-INIZCTEOSA-N 432.143 4.898 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2296136290 YYBVXZPROMUFEI-FYYLOGMGSA-N 449.547 4.593 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]12CC[C@H]1CCN2C(=O)OC(C)(C)C 2296218007 ZVUDKHXLXHFGQL-LRXVAGHRSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](O)(C#Cc2cccc(Br)c2)CC12CCCC2 2296231517 FAGVWZSGJKMGBM-QFIPXVFZSA-N 434.374 4.875 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC=CCC1 2296274702 VUDCOAQCUTTWJS-RLLQIKCJSA-N 433.390 4.638 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@H](O)C#Cc2ccc(Br)cc2)c1 2296277590 UPHSFTKQRVUYAG-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC1CC(CNC(=O)OC(C)(C)C)C1 2296299344 UHZQUAKECYIWOB-AFMYVXGZSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296300724 LUPXZQJEIVWPGB-JKSUJKDBSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296303656 YQHMASWDDUWYGL-QRVBRYPASA-N 435.406 4.718 30 10 IJEE CSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 2296311790 AESCCMOHEQYODF-INIZCTEOSA-N 441.534 4.603 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@@H]2c2ccc(OC(C)C)cc2)no1 2296775170 VBGRUJSMKPQYJT-NRFANRHFSA-N 436.439 4.536 30 10 IJEE COC(=O)c1sc(NN=Cc2cccc(OC)c2OCc2cccc(C)c2)nc1C 2318418029 NNWOITIVDJPQOC-UHFFFAOYSA-N 425.510 4.580 30 10 IJEE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C=CC(=O)c1cccc(OC)c1 2320940797 GYMOUBXBNDOGDX-UHFFFAOYSA-N 435.501 4.978 30 10 IJEE O=C1C(=Cc2ccccc2)Oc2c1ccc1c2CN(C[C@@H](O)c2ccc(Cl)cc2)CO1 2322234270 IYMFLTPFALIYEX-OAQYLSRUSA-N 433.891 4.842 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2COc2ccc(C)cc2C(C)(C)C)cc1OC 2322260410 PDAADQIONJUGAV-UHFFFAOYSA-N 440.569 4.651 30 10 IJEE O=c1c(Br)c(NN=Cc2ccc(Cl)cc2)cnn1-c1cccc(Cl)c1 2322648498 CZWUKCBEDDPPOQ-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OCc1ccc([N+](=O)[O-])cc1 2323178303 LFBWEUDONVCDIA-UHFFFAOYSA-N 447.443 4.850 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OC 2323438279 NAKLNTXYIWAWAC-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2cccc(OC)c2)cs1 2323850912 XEKLRVODMUAIAM-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(Br)c1OCCO 2324140795 STJVMPWMDAJWQB-UHFFFAOYSA-N 427.294 4.878 30 10 IJEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1cccc([N+](=O)[O-])c1 2324969421 UFIBYVJRNNEIDD-UHFFFAOYSA-N 442.427 4.785 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2325589719 YLZIFGNYTFXTLB-UHFFFAOYSA-N 426.881 4.739 30 10 IJEE Cc1ccsc1C=Nn1c(COc2cc(Cl)ccc2Cl)nnc1SCCO 2325914738 JEZKFLCSYWVGSD-UHFFFAOYSA-N 443.381 4.500 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1 2330114908 GFLRTTWINVXSKW-IBGZPJMESA-N 447.608 4.853 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2-c2cccs2)c1 2330603755 CAHFKZMDCGUFGE-UHFFFAOYSA-N 444.582 4.579 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccncc1 2331063964 XYRRGTNUMRLTLY-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE CC(C)Cc1nnc(SCCO)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331473114 GKEVTPYZGNBADC-UHFFFAOYSA-N 444.988 4.676 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1cccc2ccccc12)Nc1nccs1 2331509989 ZZQIBUJGFOUIGS-UHFFFAOYSA-N 448.577 4.768 30 10 IJEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OC 2331717400 IORKXRGDYCXJGV-UHFFFAOYSA-N 428.481 4.713 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br)C(=O)OC(C)(C)C 2363127519 YPWBVGHTUIFUGE-OAHLLOKOSA-N 441.414 4.597 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@H](N)C#Cc1cccc(Br)c1 2363395094 YPPZUHRSIWHBHP-RTBURBONSA-N 435.406 4.944 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(O)C#Cc1ccccc1Br 2381060345 UCISSZJFBKKLOO-DEVSCXNHSA-N 434.374 4.635 30 10 IJEE COc1ccc(-c2csc(NC(=O)CSc3nc4c(cc3C#N)CCCC4)n2)cc1 15670055 ZYYLAFSKTORAPJ-UHFFFAOYSA-N 436.562 4.695 30 10 IJEE CCSc1nc2n(n1)[C@H](c1ccc(N(CC)CC)cc1)C1=C(CC(C)(C)CC1=O)N2 17094580 LKVHOPGACMDJKU-HXUWFJFHSA-N 425.602 4.894 30 10 IJEE Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 20133617 IVOZHNPMSJUISW-OAQYLSRUSA-N 447.520 4.809 30 10 IJEE C=CCn1c(SCc2cc(F)cc3cccnc23)nnc1[C@@H]1COc2ccccc2O1 31613037 UYFVOXRUCDVPBU-FQEVSTJZSA-N 434.496 4.956 30 10 IJEE N#Cc1c2c(c(N3CCN(Cc4ccc(F)cc4)CC3)n3c1nc1ccccc13)CCCC2 47163511 SQNBGPONIDYNHE-UHFFFAOYSA-N 439.538 4.699 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)cc1C 59014501 CPEIDJJLOYGUOH-LSFURLLWSA-N 449.367 4.905 30 10 IJEE CCCOc1ccc(Br)cc1/C=N/Nc1nnc2c3ccccc3n(C)c2n1 65002990 CNQBJFICHJOPOS-WSDLNYQXSA-N 439.317 4.514 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@@H]1c1ccccc1 97437063 SUZNQNRXMHUOAS-HVMBHNBBSA-N 425.440 4.567 30 10 IJEE CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)/C1=N/Nc1ccccc1 100149851 UESNBZQSBJQYBV-HAVVHWLPSA-N 440.326 4.763 30 10 IJEE Cc1ccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 102700906 YTCMKJVEEKPKAV-FEYWKWKCSA-N 428.488 4.804 30 10 IJEE Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)s1 102723127 CRFLMKZIZZHIQV-SCDSTIRESA-N 446.315 4.780 30 10 IJEE COc1cccc(/C=C2/Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c1OC 103019389 VUHFZKVVRADMMO-MXHDTTNDSA-N 428.440 4.939 30 10 IJEE CC(C)[C@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1nc(-c2ccncc2)no1 110598396 YTWJZFUKBBNMLZ-YVSHKSEASA-N 440.507 4.527 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925384 YWQZQOMQUDBOGC-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(OC(=O)c3ccc(F)cc3)cc2)C2=C1CCCC2=O 169930050 PIKKYQIKJWGOGY-JOCHJYFZSA-N 438.524 4.693 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 169956167 CJAWXYDQEFPKAI-JOCHJYFZSA-N 447.922 4.580 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccncc2)c1 170025813 FNKMKDHCVBSIBP-VWLOTQADSA-N 426.516 4.796 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccncc2)s1 170026425 DBLRENGXSXFIJF-KRWDZBQOSA-N 448.529 4.548 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 170049705 IFNTZRHMYABYQR-JOCHJYFZSA-N 447.874 4.894 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccco1)c1c[nH]c2ccccc12 170099071 IDXAMKFRYPRIDB-HXUWFJFHSA-N 442.406 4.559 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2sccc2C)c1 170108070 MHFBXYGARNMUGN-FQEVSTJZSA-N 437.492 4.983 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCCOC)c1 170112176 ZYUGGWYZTVWFRC-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(O)cc1 170132123 IFMQHBZBVCBQLB-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccncc1 170211279 CEAIFKKBHKVQQV-LJQANCHMSA-N 428.916 4.821 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)cc1C(C)C 170292214 JQXGZJUYFGSEEU-QHCPKHFHSA-N 446.503 4.975 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccc1)c1ccco1 170371273 ATFOFZZOCDFBSV-GOSISDBHSA-N 429.350 4.961 30 10 IJEE N#Cc1ccc(Nc2cccc(F)c2I)c(F)c1Br 311620158 IDVRAVYXFQHNNR-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 407400184 JKNIUEUGRAUQLE-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCC 407631378 WUDZWALOXATWNZ-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)c1ccccc1 428023066 NZHQCGZLPKNORR-FGZHOGPDSA-N 434.584 4.994 30 10 IJEE C=CCCc1ccccc1NS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C 443414946 DIVQIHNKQXHWML-UHFFFAOYSA-N 437.359 4.635 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460567962 QTPCZGGOMYSXER-ZUQCGGBESA-N 447.608 4.948 30 10 IJEE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@H](C#N)c1ccc(Br)cc1 485638578 NIHZQVQLYRZLBO-GOSISDBHSA-N 425.282 4.630 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1CN1CCCCCC1 497709110 QIOZMGCCJWWZCV-UHFFFAOYSA-N 436.556 4.869 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccnn3-c3ccc(C#N)cc3)c2C)cc1Cl 497936958 HPASJQJJMPSTPH-UHFFFAOYSA-N 444.926 4.690 30 10 IJEE C=CCN(C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)c1nc(C(=O)OCC)cs1 507721776 BEUZYKVVDISRGD-UHFFFAOYSA-N 442.928 4.571 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 508480537 HZIHIGSGOMSDIW-UHFFFAOYSA-N 447.587 4.806 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526829207 WSIULVPQXILSJF-QRVIBDJDSA-N 434.525 4.723 30 10 IJEE N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)c1ccncn1 544814859 MIYBFMOBUCUQOA-SFHVURJKSA-N 429.277 4.944 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 549675267 FXGFENOQAQKUTM-HXUWFJFHSA-N 448.615 4.533 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CCc2ccc(OC)cc2)CC1 555240483 KLTOTXKJSZBYRF-UHFFFAOYSA-N 431.584 4.698 30 10 IJEE C=CCn1c(Sc2ccc(Br)c(C(F)(F)F)n2)nnc1-c1cccnc1 557472617 ABIGBUDSXFVEKB-UHFFFAOYSA-N 442.264 4.854 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1OC 589589408 LKPWWSXXIIAREC-QFIPXVFZSA-N 440.927 4.502 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 698986973 LHZRIUZJUVDGCO-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE C=CCC1([C@@H](Cc2ccc(Br)s2)NCC)CN(C(=O)OC(C)(C)C)C1 722924083 VTYCIXZWIRLYGG-OAHLLOKOSA-N 429.424 4.844 30 10 IJEE Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccc(C#N)cc3F)[C@H]2c2cccs2)cc1 729832628 BJDGLQPFWGFBOL-RDPSFJRHSA-N 447.535 4.868 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2sccc2SC(F)F)nc1C 731225203 RMTJOLITMFECFO-UHFFFAOYSA-N 445.567 4.813 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1 743625399 MKEOMVRMYWZTHI-JOCHJYFZSA-N 441.560 4.803 30 10 IJEE CC(C)(C(=O)OCC(=O)c1cccc(C#N)c1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 754343549 MAGZOCZAQLDGMD-VWLOTQADSA-N 443.499 4.623 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2F)[n+]2cccc(O)c2Cl)cc1 762438332 NWWDSYZVKYNXQR-UHFFFAOYSA-O 426.880 4.667 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2c(F)cccc2I)c1 1125714222 UYMNOMJSPVXBBY-UHFFFAOYSA-N 445.231 4.852 30 10 IJEE CCc1c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)nnn1Cc1ccc(F)cc1 1128254440 DETRUAMCFMCRSV-UHFFFAOYSA-N 441.466 4.944 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 1128546112 GZDSSOWXVHIWEJ-GOSISDBHSA-N 425.813 4.590 30 10 IJEE C=CC[C@@H]1N(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CCCC1(C)C 1128576115 SZTABXHTKKNOGJ-QHCPKHFHSA-N 446.657 4.804 30 10 IJEE O=C(O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc(-n2ccnn2)ccc1F 1129450869 DLRPLDSVXNAQDC-HNNXBMFYSA-N 433.283 4.886 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(C(C)(C)C(=O)OCC)cs1 1129593572 BIZZKZZREGIOLL-UHFFFAOYSA-N 442.459 4.820 30 10 IJEE C#C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1129616859 XDUZDTFYSKNVMD-TZIWHRDSSA-N 438.852 4.724 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccnc(-c2cccc(Br)c2)n1 1130645080 XGRJUAIXTCNCED-UHFFFAOYSA-N 440.297 4.732 30 10 IJEE C#CCCCCCC(=O)NC1(c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1153879825 YIFVSDQMXFJBLO-UHFFFAOYSA-N 449.389 4.595 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1183303389 FJUVPIIIVWFTQO-HNNXBMFYSA-N 427.353 4.879 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)COc2ccc(F)cc2F)cc1OC 1199732840 SPHIAITURMLVGQ-CYBMUJFWSA-N 442.300 4.858 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(N3CCOC3=O)c2C)cc1OC 1201219244 DKLZSKHGZQIGOO-UHFFFAOYSA-N 447.329 4.900 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc(Cl)cc2c1OCC2 1206202240 BQKFJEGOEUJXQA-UHFFFAOYSA-N 437.721 4.924 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 1214797465 MDWOFFTWKSUCAU-MJGOQNOKSA-N 447.894 4.595 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)C(C)C 1218834175 WDFNSCSEMLERIQ-IBGZPJMESA-N 435.494 4.711 30 10 IJEE C#C[C@@H](NC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 1252448031 FFEATQXSWWGHFR-DHIUTWEWSA-N 448.954 4.600 30 10 IJEE C#CCN1CCC[C@H](NC(=O)NCc2cc(Cl)ccc2Oc2ccc(C)c(C)c2)C1 1254764938 ZCJQLBMJVUVEKO-NRFANRHFSA-N 425.960 4.646 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c1 1264686712 SIMCTMNJQHYDNF-DEOSSOPVSA-N 432.520 4.738 30 10 IJEE CN(C(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)c1cc(Cl)ccc1C#N 1265739809 ALTDWYAETQJJRO-UHFFFAOYSA-N 429.282 4.955 30 10 IJEE CCC(CC)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(OC)c(OC)c1 1267640094 AFQOFBKMJHTSCB-UHFFFAOYSA-N 433.508 4.718 30 10 IJEE C=C(C)[C@@H](NC(=O)/C=C\c1ccc(I)o1)c1ccc(F)c(F)c1 1269600537 UAIRQBGHOFOGDT-CTEOGUNLSA-N 429.204 4.609 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(C)C)C1 1286497978 ZYVJTPRBYLRGQS-LEWJYISDSA-N 426.630 4.884 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1286506807 NYUQWOFMBKNPPD-FQEVSTJZSA-N 440.613 4.661 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCCCC1 1286519243 UUDNRWCPMIAWBJ-YADARESESA-N 440.563 4.635 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286537592 GSURJKJSRFOKFP-GOSISDBHSA-N 435.341 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OC1CCCC1 1286580001 SZCSSVCDMCXYIG-NRFANRHFSA-N 425.577 4.687 30 10 IJEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CCCCC2)C1 1286613147 RXKGGFFQBLFBAJ-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286620996 XSDPUIMVZNIUDK-MOPGFXCFSA-N 440.979 4.515 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286624236 XGZPAASGQQHNHW-GOSISDBHSA-N 440.979 4.872 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)c2ncc(C)s2)CC1 1286658941 DLQPHJGYTQRIEY-KRWDZBQOSA-N 437.613 4.849 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2CN(CC)CC)CC1 1286663581 NRLBOXCWHBVPNP-XMMPIXPASA-N 437.632 4.812 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCCO1 1286703862 IHTQOYZLPZJGIG-IBGZPJMESA-N 449.393 4.591 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286749277 OJJXDTWYPVXLNO-INIZCTEOSA-N 439.551 4.684 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC=CO1 1286750019 LUGFTPMPHZYRSL-SFHVURJKSA-N 440.544 4.943 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1SCCc2ccccc21 1286768872 KASSRMBIGUJVLC-NRFANRHFSA-N 440.638 4.600 30 10 IJEE COC(=O)[C@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 1288525162 HQWUQELVIGURTQ-HUUCEWRRSA-N 437.311 4.765 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCc2csc(C(C)C)n2)c1 1290043908 GEACPIXEVUHOER-GOSISDBHSA-N 438.601 4.727 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2C)CC1 1294676327 ABYRJXQLYATTHK-UHFFFAOYSA-N 434.613 4.546 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1SCc1ccccc1OC)C(=O)OC(C)(C)C 1294739987 AKBNCVVESWFYDQ-UHFFFAOYSA-N 440.565 4.796 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1300393776 KMUPOURDNUXTCT-GOSISDBHSA-N 447.549 4.729 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCCCC1(F)F 1300448792 GQKGLBOKBUFSED-SFHVURJKSA-N 432.515 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1300806144 QGZROYWTYRZCOX-NIYFSFCBSA-N 438.616 4.755 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C 1300876027 PIDZUQKZLVMOCL-AZUAARDMSA-N 432.996 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(c3ncc(C)s3)CC2)nnc1C(C)(C)C 1300897353 PYECHFMTDKQRGD-MOPGFXCFSA-N 429.634 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)[C@H](C)CC 1300904607 BXUQUQWFHWHBOZ-IERDGZPVSA-N 435.410 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300904984 JIDOPHBRZFOUTN-IEBWSBKVSA-N 443.592 4.894 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@H](C)C1 1301018987 OHKPLYXZGYVXTD-GOSISDBHSA-N 425.964 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1301155274 LBSBIHVBMIMIFP-UHFFFAOYSA-N 441.645 4.602 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H]3CCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301158926 QKLNWOYURCPZSS-STWLZBDKSA-N 430.637 4.938 30 10 IJEE C=CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(C)C)c1ccccc1 1301165916 MOWJTSBNTDYSBL-HXUWFJFHSA-N 435.572 4.848 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1301199035 VLYUKNPQVGJAPX-FQEVSTJZSA-N 438.551 4.699 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(F)(F)CC1 1301239343 NSLBCSTZMMVLBL-UHFFFAOYSA-N 427.499 4.630 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1301241014 LCAWWPXRWIUTAK-MNZLEMJZSA-N 449.368 4.674 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCCc2sccc2C1 1301260219 VPUDBDQYMQWLSU-UHFFFAOYSA-N 444.551 4.754 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H](O)C1 1301341965 QLEKNNOACQEICR-DNQXCXABSA-N 433.600 4.626 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[C@@H]21 1301601168 MZFQJNIOJXEGFS-STQMWFEESA-N 425.421 4.677 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1303013087 HWJYJASXYPDQQY-AREMUKBSSA-N 433.600 4.898 30 10 IJEE C#CCC1(NCc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)CCOCC1 1308090878 YEVAWFUEKMLRIJ-UHFFFAOYSA-N 437.487 4.509 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)c1ccc(F)c(F)c1 1312534725 HKKCBSDSFPBFQA-UXHICEINSA-N 437.531 4.965 30 10 IJEE C=CCCC1(CNC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)CCCC1 1313003987 HUMMJCSSMLNXIF-QGZVFWFLSA-N 437.506 4.895 30 10 IJEE C=CCC(CC=C)C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1352129999 DBSVAACGJIJBIZ-OAQYLSRUSA-N 442.556 4.950 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OCCC)CC1 1358910658 XBHYJPMZTZFLRP-XMMPIXPASA-N 446.599 4.720 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1358943268 CALNRENKIBZNDR-RBBKRZOGSA-N 435.959 4.539 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccc(C)s1 1359049683 UOTFKWXSZQFMJK-KRWDZBQOSA-N 444.601 4.930 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)Cc1c(F)cccc1Cl 1359059541 QOOPGTYAXHNNQM-UHFFFAOYSA-N 434.993 4.726 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C)=C(C)C1 1359080098 GBCIBIIORIGMNX-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC)nc1 1359107569 POVPJJITMYPJGP-FQEVSTJZSA-N 435.572 4.889 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccn(C)n1 1359107783 VGNBNOWQPYBPKR-GOSISDBHSA-N 442.995 4.873 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359119165 YGYNDSQDUGMKJN-SFHVURJKSA-N 437.544 4.713 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](COCC)C1 1359127891 DAVQCZACWPHNBP-RTBURBONSA-N 444.645 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359176694 KMMKYQPUNCXSGJ-SFHVURJKSA-N 425.577 4.603 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359200864 UBOXJIDSACMJQX-FQEVSTJZSA-N 436.560 4.694 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CNC(C)=O)CC1 1359220510 BFPFXYPETXAAIB-UHFFFAOYSA-N 448.036 4.543 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCN(CCC)CC1 1359243905 IUURWZHCADYNNM-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCC[C@@H](C)C1 1359258608 WREUUBUMKYLQCH-JOCHJYFZSA-N 446.643 4.987 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(N(C)C)CCCCC1 1359269939 VCJQUJKRZFTFGZ-UHFFFAOYSA-N 432.616 4.880 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C)[C@H](C)C1 1359293211 KGKXOZSKWCYIQV-LSDHHAIUSA-N 444.004 4.598 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1359337950 HCDSYIUMRLQLFU-GOSISDBHSA-N 449.527 4.644 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2sccc2Br)n1 1434953086 JTKSBCXGHLJTME-UHFFFAOYSA-N 449.370 4.978 30 10 IJEE Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2=O)cc1 1435312343 HSVGDGAISKFOID-HXUWFJFHSA-N 443.478 4.785 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 1435693705 GOAPBJIHDNIXCY-UHFFFAOYSA-N 449.264 4.541 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)c1ccccc1 1436485842 ICHVQQYAURUFHJ-QHCPKHFHSA-N 427.566 4.718 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)C(=O)OCC 1438406325 WZWVHWYHPSYCPL-MRXNPFEDSA-N 429.344 4.519 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1OC 1450654502 BADPSIGYXPSJRS-RBBNLNDGSA-N 429.516 4.864 30 10 IJEE C=CCn1c(SCC(=O)N2CCCc3c(F)cccc32)nnc1-c1ccc(Cl)cc1 1457235635 AYFAGELYJZGPNM-UHFFFAOYSA-N 442.947 4.995 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1C(=O)OC(C)(C)C 1460201339 AQNASIVEMJZHLE-DVECYGJZSA-N 443.544 4.647 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1 1460787000 HGJPPHBTFKRLEY-DITZBUCASA-N 441.358 4.878 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 1460853626 DOVLIWZULVRLFV-UHFFFAOYSA-N 438.412 4.759 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 1466314898 BLMRODBNTMIJTQ-UHFFFAOYSA-N 427.346 4.888 30 10 IJEE C#C[C@@H](NC(=O)C1=Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(Br)cc1 1468452210 XFVAHPKEHODEGY-SJLPKXTDSA-N 436.227 4.647 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 1468477002 BDDAFAWCGDIVMF-SFHVURJKSA-N 445.357 4.871 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CC(C)(C)CNC(=O)OC(C)(C)C 1469266043 AJQPGLRGSRKSGN-HNNXBMFYSA-N 441.494 4.887 30 10 IJEE CC(C)(CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(Cl)c1F 1469401494 HXLCSEBTVUEVQI-UHFFFAOYSA-N 444.938 4.713 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1 1474930241 BHOMCKMOBQKQHZ-UHFFFAOYSA-N 429.545 4.994 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 1476149564 CYLDXQQTCQTVEW-GVDBMIGSSA-N 432.590 4.990 30 10 IJEE COc1ccc(CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H](CO)C(C)C)cc1 1476626658 FDRYGWJLCQOPPK-JOCHJYFZSA-N 439.556 4.795 30 10 IJEE C=CCSCCNC(=O)N1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1478416896 BFONJMFKLRYDEO-UYAOXDASSA-N 439.666 4.801 30 10 IJEE CCN(CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CC#N)C(=O)OC(C)(C)C 1502190975 BMJFQTBBCKMNSH-MRXNPFEDSA-N 446.983 4.594 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCOCC1 1507517453 QLOBLAMYCBCRFO-RBUKOAKNSA-N 445.007 4.963 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2OC)CCC1 1507682396 OTBSFGHBOPDLIB-UHFFFAOYSA-N 435.959 4.584 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC)(CC)C1 1507744699 NNICJLORVGQXAW-UHFFFAOYSA-N 434.556 4.929 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1507919660 HARQADUGMBHAEJ-PLACYPQZSA-N 430.637 4.662 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCS1)C1CC1 1507987771 CAQIEXMKHARXQQ-MRXNPFEDSA-N 449.418 4.767 30 10 IJEE C=CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC[C@@H](OC)C(F)(F)F)C1CC1 1507988780 VTRNXXPYJDJVJD-LJQANCHMSA-N 434.506 4.870 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1507989694 DCGGLPVHIMMCTG-QFBILLFUSA-N 441.576 4.647 30 10 IJEE C#CCSc1ccc(COC(=O)COc2ccc(Br)cc2Cl)cc1 1522393176 SXWYYUAHUCOWTP-UHFFFAOYSA-N 425.731 4.950 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@H]2C)c1 1524421261 RAGBJDDPCIXWJE-IEBWSBKVSA-N 447.000 4.887 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1526174455 AZMYFVMBMOSJBC-OPAMFIHVSA-N 441.453 4.910 30 10 IJEE CC[C@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)n1nnc(-c2ccc(Cl)cc2)n1 1526566799 ALYJVYXVIQVKEC-GOSISDBHSA-N 449.927 4.578 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2C#N)C1 1526913363 BWYVKDVUWYSWCJ-GDBMZVCRSA-N 430.595 4.526 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CCCN1C(=O)OC(C)(C)C 1526921604 XEOVUMDKAJCGKN-HHJKRLRDSA-N 443.588 4.585 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCOc2ccc(Br)cc21 1529626716 DDTYXHFNZPHNNA-LJQANCHMSA-N 440.337 4.762 30 10 IJEE C=CC[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1ccc(Cl)c(Cl)c1 1530229822 PZMFVBLEEWTZBI-INIZCTEOSA-N 432.325 4.619 30 10 IJEE C=C[C@H](CC)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1531663700 KHEIYXGZUBPVRS-COPCDDAFSA-N 430.589 4.897 30 10 IJEE C=CC[C@]1(C(=O)OCc2cc(OC)ccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1538068533 GKPIBZVWVKJMGF-JOCHJYFZSA-N 441.471 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1538986313 KERHESKXBCVLPX-BPSNYSSFSA-N 433.383 4.915 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1538992776 YGWPOLJODFUVGP-KHOMTPLRSA-N 440.588 4.548 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1539104862 QWPAMEHCIOACNY-UHFFFAOYSA-N 444.526 4.782 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc2c(s1)C[C@H](C)CC2 1539147562 IKDJZKHZVGSUER-APWZRJJASA-N 449.624 4.734 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1[C@@H]1C[C@H]1CCC 1539247239 WSSGCOOJLWCWPZ-RDTXWAMCSA-N 431.765 4.795 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CC)CCC1 1539350493 NOURGWKFKVSTNO-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCO[C@@H]1CCCC[C@H]1C 1539361671 AOQPJKVXLDXGTK-DENIHFKCSA-N 433.556 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)CCSC 1539636645 LNDAWTOFWRDBDG-JUXOCIIHSA-N 432.609 4.567 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCOCC2CCOCC2)CC1 1539881629 DBFTXTIAWKNPTK-UHFFFAOYSA-N 445.007 4.834 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCSC2(CCOCC2)C1)c1ccccc1 1539947300 IKNCWIXLXJUROR-QFIPXVFZSA-N 440.657 4.939 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(Cl)=C(Cl)C1 1539982482 WYHQWUFHLQFCNV-UHFFFAOYSA-N 445.192 4.912 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1539988863 HWISFQMWOHIQMV-UHFFFAOYSA-N 429.565 4.648 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](C)[C@@H]1C 1540004489 AAPGBJOTEXRSQL-ZWKOTPCHSA-N 449.665 4.689 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CCc1ccsc1 1540147285 KGDUDTVZFNPGOO-UHFFFAOYSA-N 438.626 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCC)cc1 1540147980 YDUCMFQTRPOLTI-FQEVSTJZSA-N 438.597 4.873 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1540196237 VJAZQHGTYGMXFM-LJQANCHMSA-N 449.452 4.600 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1540360582 XIBIMEWITCQANE-UHFFFAOYSA-N 431.794 4.838 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 1540505443 DQAGVMYLXXIPQE-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCC[C@@H](C)C1 1541106961 DDUYDLOXJUXFQT-HZPDHXFCSA-N 435.403 4.580 30 10 IJEE Cc1n[nH]cc1CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1542053493 DYZFNQAMUMEFFT-CVEARBPZSA-N 437.617 4.534 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1546125478 FQKLESNALHHDOB-ROUUACIJSA-N 429.540 4.502 30 10 IJEE COc1ccccc1/C=N\N=C1/S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccco1 1554646845 SCRWRRZHQZYACR-VBARTGPDSA-N 435.480 4.934 30 10 IJEE CC(C)(C)OC(=O)NC1(CNc2cccc(F)c2C#N)CCN(Cc2ccccc2)CC1 1559210142 CYXUOSJXDLCWJY-UHFFFAOYSA-N 438.547 4.669 30 10 IJEE CCOc1cccc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c1 1559692330 FJGJXIADXHHGBK-GOSISDBHSA-N 448.542 4.852 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCCC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2n1 1563302152 UUMABDFIJYZNIU-LJQANCHMSA-N 427.549 4.524 30 10 IJEE C=CCc1cc(CNC(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)cc(OC)c1OC 1563814338 BGICWDABINVZDG-FQEVSTJZSA-N 448.922 4.508 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C)c1ccccc1 1565277641 UUWUNQBNOPYSSV-GBXCKJPGSA-N 435.568 4.791 30 10 IJEE C=CC[C@@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1569486237 SPPXFWGTXGYYKV-XXBNENTESA-N 434.964 4.586 30 10 IJEE Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)c1 1583322883 BQZYIYFZFDTAAW-IBGZPJMESA-N 433.552 4.843 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](COC)C1 1587705339 BLZHJWBADJOWSB-PMACEKPBSA-N 428.552 4.614 30 10 IJEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCCC(F)(F)C1 1588629050 VFYSTIXAFUOPOC-GOSISDBHSA-N 441.526 4.728 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cc(C)on2)CC1 1594128684 TYHFJEIQKMYHTN-UHFFFAOYSA-N 434.327 4.665 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCCCC2=O)CC1 1594208391 GVICPQHRMHOIQD-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1594697736 FHEVYXOCFKVWBN-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCC)C1CC1 1595058573 PTBURLBMWOSDEA-QFIPXVFZSA-N 428.024 4.942 30 10 IJEE C#C[C@@H](NC(=O)CSc1ccccc1Br)c1ccc(Br)cc1 1596984691 FLEPOARYSUCQCN-OAHLLOKOSA-N 439.172 4.794 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)C1 1607454600 AYLMVBYKAMEOQQ-QHCPKHFHSA-N 434.632 4.812 30 10 IJEE CC(=O)N/C(=C/c1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1611357921 RMFCTLKPEBCTCJ-YDZHTSKRSA-N 431.517 4.623 30 10 IJEE C=CCn1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 1611758449 DYTCBZHUMLBUGW-UHFFFAOYSA-N 447.314 4.962 30 10 IJEE Cc1nc(CCn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@@H](C)C#N)cs1 1612418902 CTSAPCHZCBTLQT-CABCVRRESA-N 440.642 4.735 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)C[C@@H](C)O1 1614215667 ADPOEXRFVAOJIM-FOVJLYNBSA-N 444.583 4.655 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 1617266280 RNDQXLMHGTZHBC-BHIFYINESA-N 434.621 4.776 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 1618439383 MQUZWVHQRGEDCW-KRWDZBQOSA-N 436.936 4.769 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCCC2(F)F)C1 1620347800 CUJVOPLKKZIZND-KNQAVFIVSA-N 431.506 4.721 30 10 IJEE Cc1ccc(Br)c(F)c1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1621150816 HOFCHJQQDNXBGF-UHFFFAOYSA-N 430.321 4.619 30 10 IJEE CN(C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(C(F)(F)F)c1 1623029131 HZNRYCVNNVKJRG-INIZCTEOSA-N 442.388 4.603 30 10 IJEE C#CCN(CC)C(=O)CN(CCCCC)C(=O)OCC1c2ccccc2-c2ccccc21 1625501977 JMTCQODJJIZMEC-UHFFFAOYSA-N 432.564 4.909 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 1626287207 CHBXIKOABUQKGW-UHFFFAOYSA-N 426.586 4.562 30 10 IJEE N#Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1Cl 1626605083 FKUDBSWJFRNGGG-SFHVURJKSA-N 431.879 4.539 30 10 IJEE C=CC(C)(C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1629449458 QADVBGAFWGOYIV-OQLLNIDSSA-N 427.353 4.748 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](CF)C1 1633199776 RBTNZWFSYKRVNN-MHECFPHRSA-N 436.527 4.678 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1)c1ccccc1 1633416991 IMXFRJSMQQWNHP-JOCHJYFZSA-N 445.604 4.799 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 1633643088 APBPLWARMPLXKM-CEXWTWQISA-N 440.943 4.540 30 10 IJEE C#C[C@H](NC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1635191240 DXXAPPOGMMPHCV-LEWJYISDSA-N 442.918 4.804 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@H]3CCCC[C@H]3c3ccccc3)CC2)c1 1635281052 CVTFYVSTTABUJP-RSXGOPAZSA-N 430.596 4.796 30 10 IJEE C#C[C@@H](CO)Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCCC3 1639964551 RCPODIWZKHJJBP-AWEZNQCLSA-N 429.998 4.922 30 10 IJEE C#CCN(Cc1cccnc1C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1653391429 FOYVOGMXIGOTJS-INIZCTEOSA-N 425.248 4.822 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCC[C@H](c2ccccc2)O1 1656154232 CFUCBQGNIXKABS-FGZHOGPDSA-N 426.630 4.895 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O 1656695162 GQSYUMRVPZXAJA-CYBMUJFWSA-N 444.969 4.516 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NC1(c2ccc(Br)cc2)CCC1)C(C)C 1665701954 SIRQZTCTPACQTF-HXUWFJFHSA-N 434.422 4.826 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)C(C)C 1666119012 IRAUHPFUJHRMQV-HSZRJFAPSA-N 426.605 4.523 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1 1666817940 MTXYPDXZDNFMRZ-UHFFFAOYSA-N 431.897 4.514 30 10 IJEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H](CO)c1ccccc1OC(F)(F)F 1668452436 HCGMACPBJGTCSD-CYBMUJFWSA-N 426.288 4.598 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1Cc2cccc(Br)c2C[C@H]1CC 1669536351 IPEFBJMSQAMTMP-MRXNPFEDSA-N 431.305 4.969 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 1672210240 SMEYGCBHWJHBLR-IBGZPJMESA-N 444.373 4.800 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc(Br)cc1 1674026268 WBSQWDNEQDBUOC-AEFFLSMTSA-N 433.733 4.640 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@](C)(O)c1ccccc1 1674202058 AUEQGRVRJIRUFM-SANMLTNESA-N 429.520 4.817 30 10 IJEE CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c2cccs2)cc1 1676778393 AXPJUHRQEONLIB-LAUBAEHRSA-N 439.581 4.839 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cccc(Br)c2I)C1 1678780093 XGCZXPVOWIYKKU-LLVKDONJSA-N 449.130 4.874 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(N(C)C(=O)OC(C)(C)C)cc1)C(C)C 1679271268 VRTNLKPWFNQVDS-NRFANRHFSA-N 430.593 4.878 30 10 IJEE C#CC[C@H](NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1ccccc1 1680516172 WTHLVICBLJSIGJ-VQTJNVASSA-N 438.877 4.582 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 1681553401 XXNLWHOGNGAJGR-YWZLYKJASA-N 442.428 4.751 30 10 IJEE C#CCOc1ccc(CNC(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc1 1682742415 IPBJVINKQLBLDK-UHFFFAOYSA-N 438.915 4.524 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1684662989 QRRWCQLEOALCEI-IBGZPJMESA-N 431.577 4.742 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1689881418 PNYJLLAZEAQOSM-MRXNPFEDSA-N 443.382 4.783 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](COC)C1 1689914806 DSJNOWYCFSFHHM-IBGZPJMESA-N 435.597 4.653 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccc(C)o1 1690161965 WVENQMIQBQTZEZ-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ncccc1Cl 1690259553 NJHGOJIFZRVFDN-UHFFFAOYSA-N 433.343 4.523 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690457110 RBWACKOYQKSLOE-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(CN(CC)CC)cc1 1690534864 NWHISTBFOVSKJD-DHIUTWEWSA-N 439.648 4.709 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1c(C)cccc1C 1690535847 IYNWNADELPWIIG-BGYRXZFFSA-N 439.604 4.531 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCN1CCC(C)CC1 1690560523 VTAIAQDVSLEHFW-UHFFFAOYSA-N 432.616 4.732 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCSCC=C)C1 1690689475 DXYZTQLVFCPZSE-LJQANCHMSA-N 444.670 4.976 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCCCCC[C@H]21 1690750227 DCBDQXLXKLWUJD-VQTJNVASSA-N 442.629 4.944 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1695605893 CIZGFUADOTWNBN-ROUUACIJSA-N 440.661 4.602 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1705485540 KTULKQAJGBUFEP-DMJCMNNJSA-N 440.588 4.547 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](C)(CC)C1 1705516828 JQDYKBWSCYPETF-VWLOTQADSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCC(F)(F)C1 1705585998 RHGKYULBOJDHGW-HXUWFJFHSA-N 440.538 4.797 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1705604059 DNFPYHKIONLFIS-INIZCTEOSA-N 441.576 4.819 30 10 IJEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1ccsc1 1705664291 YSDQJDVDPLJBDR-NRFANRHFSA-N 438.622 4.669 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@](C)(O)CCC(C)C)CC1 1705763610 ZBOIFZRHXRWRCZ-CYFREDJKSA-N 430.568 4.901 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1705793936 OXRIEDSQHBQGPU-PKTZIBPZSA-N 426.568 4.610 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705794328 DATSGEALENIWCR-NRFANRHFSA-N 448.615 4.570 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1705845256 MCXCMLJHDQFYFR-IRLDBZIGSA-N 435.641 4.853 30 10 IJEE C=CCN(c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[S@](=O)CC)C1CC1 1705849940 AGNKAYOXPLWPFD-SSEXGKCCSA-N 444.601 4.736 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1)C1CC1 1705856242 LNYRJAAAXKRQMT-OYRHEFFESA-N 449.599 4.917 30 10 IJEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 1705856335 PJSKKQNIKWDSMO-CAMMJAKZSA-N 442.526 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC1(OC)CCC(C)CC1 1705867623 RDXBHZYLXRVGMG-WRSRUZKNSA-N 430.618 4.979 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H]1C(C)C 1705880505 HLURGIOEYDJHSV-NFBKMPQASA-N 435.572 4.538 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(c3ccc(OC)cc3)CCC2)C1 1705924030 SLTUOKRPMDDFKN-QFIPXVFZSA-N 438.616 4.779 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCSC1 1711026100 FACBJOWPUBIVAC-PKOBYXMFSA-N 431.556 4.974 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCS1 1722402051 OESMXMYUKIBVJU-IBGZPJMESA-N 431.030 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@@H](OCC)C(C)C 1722468213 LIWPLKQVCQYXSO-HYBUGGRVSA-N 446.542 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1SC 1722495421 HJLPCPVHTJJGKE-SIKLNZKXSA-N 435.597 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(Cl)nc1 1722498905 ARAYSVVWPNXQAM-UHFFFAOYSA-N 438.963 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC=CO1 1722511935 QYYFYORORUEZJA-QGZVFWFLSA-N 447.377 4.811 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCSC[C@@H]1C 1722547081 AGUXTXSQGJVLEO-INIZCTEOSA-N 437.009 4.827 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C(C)C)C1 1722604870 MTNOXDVVYZFYEG-LEWJYISDSA-N 428.602 4.725 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(OC)nc1)C1CC1 1722647165 PZUSYWOZHZGYLN-INIZCTEOSA-N 439.947 4.678 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCC1(C)C 1722655776 QRXGFBDSSGVMEQ-NRFANRHFSA-N 427.556 4.626 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1722681828 UAISSFKJXVQZSU-JTHBVZDNSA-N 426.605 4.673 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN(C)C1CCCCC1 1723771109 CWSGVFDGBPBAHW-IBGZPJMESA-N 433.604 4.819 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(OC(C)C)CC1 1740571678 RJDUGYUISKIDOE-UHFFFAOYSA-N 433.556 4.797 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740573925 UJAYKMKWLBTGSJ-HXUWFJFHSA-N 428.527 4.553 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](C)C1 1740712631 OTNHIPHGSDXWMU-IBGZPJMESA-N 436.581 4.720 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1740807613 HMTKHBDCKKUKEX-GOSISDBHSA-N 430.339 4.714 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](c2ccco2)N(C)C)CC1 1740824528 NPMHJCRMQMQPGZ-QUCCMNQESA-N 439.535 4.610 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccc(Cl)cc2C1 1740857266 IYTJIMORDXOBRT-UHFFFAOYSA-N 429.996 4.769 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740859706 PUULSDXPMSCALM-NYVOZVTQSA-N 442.629 4.720 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](COC)C1 1740869659 UTDMMMPSUPHYKP-CQSZACIVSA-N 439.785 4.800 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOC[C@H]1CCOC1 1740892940 RECHYPMZZCJJIK-MRXNPFEDSA-N 447.004 4.879 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC[C@H]1OC 1740894529 XHIPRAALAKRDSK-CXAGYDPISA-N 439.785 4.798 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCS1 1740895139 SJGVFQXUESKEEQ-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC1C[C@H](C)O[C@@H](C)C1 1740924687 ZSHIPXUAOOBFPP-OALUTQOASA-N 437.613 4.722 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCSC[C@H]1C)C(C)C 1740926796 LBPHBSYHBYQMRB-IRLDBZIGSA-N 425.646 4.585 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740934018 OTCZUHDVOMKAOL-BILGYAHESA-N 443.680 4.886 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H]1CCSC1(C)C 1748781150 ZNDNRDYFZIVUNE-LJQANCHMSA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCCc1ccc(OC)c(OCC)c1 1749058178 BQLQUEIDEGJJFK-AREMUKBSSA-N 448.567 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CCc1ccc(Br)cc1 1749149623 ACUBIRLDOGBSFO-UHFFFAOYSA-N 428.378 4.691 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cccs1 1749214525 ZHTHFPUQXDBNRU-UHFFFAOYSA-N 434.569 4.626 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccco1)C(C)C 1749253325 LPAYIPHHKLYYFK-UHFFFAOYSA-N 438.757 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)S[C@H](C)C1 1749359663 MMZLYCCQIKMJIC-CALCHBBNSA-N 428.602 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(C)s2)nnc1[C@]1(OC(C)C)CCOC1 1749377105 LQSURIWWIGABAM-QHCPKHFHSA-N 432.634 4.927 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1Br 1749387148 SNLVFQIBZQUOLZ-SFHVURJKSA-N 433.394 4.775 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@@H]1C(C)C 1749501535 BQQQDAKVUBADBK-FOIQADDNSA-N 439.387 4.847 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1nc(C)c(C)s1 1749541517 QCPOZPSGWMKOSQ-UHFFFAOYSA-N 436.560 4.737 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CC)CCCC1 1749575209 NUOXETLUPCDUKO-UHFFFAOYSA-N 435.620 4.601 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC2(CCCC2)C1 1760148371 XQWZPHSRIVUEFW-UHFFFAOYSA-N 438.572 4.545 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1sccc1C 1760210964 XZKLJNCOWCDUDR-UHFFFAOYSA-N 426.998 4.715 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)[C@H](C)CC 1760227288 AUHCDFSOSGFYHR-BCHFMIIMSA-N 433.600 4.609 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ccoc1C 1760275335 VSMGHMBMZLLWRZ-HXUWFJFHSA-N 438.597 4.939 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 1760284540 OKYCGMUQGCDRDH-UHFFFAOYSA-N 440.510 4.543 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1760327104 BZPLXTOBNHQATO-AHRSYUTCSA-N 434.943 4.540 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1760448748 OSILYSYWBVLERX-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)(C)CC1)C(C)C 1760490345 VEIDRAVFWKJHQT-FCHUYYIVSA-N 429.653 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1C 1760490580 AWHVIZYVJXESNF-UHFFFAOYSA-N 426.362 4.879 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC[C@H](O)C1 1760490885 MLUOZRNPXVEXRZ-BJLQDIEVSA-N 426.630 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN(C(C)C)C1 1760492695 CJYKKTGFFOLHEM-NRFANRHFSA-N 432.616 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[C@H]2CC)C1 1760537436 NXRHTCFWWKLROI-HLAWJBBLSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)c2cccs2)CC1 1760561683 JFMXINNCGOBCDQ-UHFFFAOYSA-N 442.610 4.927 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@@H](C)CC#N)n3CCOc3ccccc3)cc2C1 1762807913 FFSRZZHZKWHRDR-ROUUACIJSA-N 435.597 4.949 30 10 IJEE CCN(CCc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccco1 1766850999 CNGODBSBCQUMKH-UHFFFAOYSA-N 433.537 4.501 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1)C(C)(C)C 1770439155 BJZHEDRAKLZTKR-ORYQWCPZSA-N 439.629 4.598 30 10 IJEE CC(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccc(C#N)c2)CCO3)cc1 1858452528 AHKZGNDPLFBUAA-UHFFFAOYSA-N 425.488 4.973 30 10 IJEE C=CCNC(=O)Oc1cccc2c(NC(=O)CCc3ccc(OC)c(OC)c3)cccc12 1858937239 JDGCAWKIXPOMBM-UHFFFAOYSA-N 434.492 4.703 30 10 IJEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2ccc(F)cc2)CC1 1859447826 BFPYXWNXDYETAX-UHFFFAOYSA-N 434.355 4.821 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862479615 LRUWVAWGSMIJDW-QFIPXVFZSA-N 447.512 4.606 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1O 1862481213 ZMFPZEBTWDKQHH-XMMPIXPASA-N 443.499 4.796 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862557046 IMYBNDNOZGGHIZ-WAIKUNEKSA-N 428.488 4.617 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862566503 XEFNCCFQQONLNA-LJQANCHMSA-N 443.887 4.599 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1862678683 ULKRNZBDVALYQA-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1C(=O)O)c1ccc(-c2ccccc2)cc1 1862726757 OFHBFLDNHGEZJW-QHCPKHFHSA-N 439.467 4.793 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 1862744825 VUDWBQJRROGADS-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 1862746849 FFSOOFZBQCIVDL-ZHRRBRCNSA-N 428.444 4.934 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)COc2ccc(Cl)cc2)cc1 1870152883 PMPNMINIPZCISB-UHFFFAOYSA-N 443.894 4.785 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1cc(C)ccc1C 1871015629 RCWGAFJLYSBGCX-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE O=C1/C(=C/c2ccccc2Cl)Oc2c1ccc1c2CN(CCCCN2CCCC2)CO1 1871348506 IZPXZTWKSYFHOI-HAHDFKILSA-N 438.955 4.984 30 10 IJEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1OC 1871383083 CAUVEPJMLKLWJP-YGNNHONTSA-N 443.455 4.724 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871420570 DEWVKAFNZXQQSP-HMSZGEISSA-N 425.484 4.863 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)c1OC 1871453530 CYDCMQYYUIFZOM-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871802992 LTIAEYHDSYSCDG-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871990079 ULQGEPVOROBSGV-XMSQKQJNSA-N 432.561 4.754 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872084833 AWUYDSGIGRNDGB-HXOBKFHXSA-N 446.588 4.981 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872231240 RMTNRKPPKQFPHJ-IBGZPJMESA-N 441.380 4.978 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872266569 UZXDOBLCRPPMAZ-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872496954 OBGFALPWIVQWMK-NRFANRHFSA-N 434.989 4.941 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCSC[C@@H]2c2ccc(OC)cc2)CC1=O 1872976800 SASXVZVGNMRTSW-IFMALSPDSA-N 432.630 4.521 30 10 IJEE CCc1ccc(N2CC(=O)C(c3nc(-c4ccc(OC)c(OC)c4)c(CC)s3)=C2N)cc1 1873529501 FSBMCLWCNAXLRZ-UHFFFAOYSA-N 449.576 4.669 30 10 IJEE C=CCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N(CCCC)CCCCCC)ncnc21 1873594707 YXHPREXZNRFYHK-FQEVSTJZSA-N 441.620 4.713 30 10 IJEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc(O)cc1O 1874195459 PEDPQPXUTBDHNX-BUVRLJJBSA-N 440.569 4.603 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1C(=O)O 1874197933 HJJNOBVKQWPESM-PCLIKHOPSA-N 446.532 4.745 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccncc2)c1 1874422011 PGPBEYWRPAGPFW-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2sccc2C)cc1 1874460987 PXJYAYREIUWBHU-LSFURLLWSA-N 439.488 4.588 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2sccc2C)cc1 1874466296 WTOUHVJNFOZCHA-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cn(C)c2ccccc12 1874512058 JZKBTOGHADEPRF-DHRITJCHSA-N 446.580 4.815 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Cl)cc1OC 1874592402 XJCIJEQPVAEYJO-CSKARUKUSA-N 440.879 4.958 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1cccnc1 1875151346 HQGIHYNKXAYLNK-VQHVLOKHSA-N 443.455 4.663 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)[C@H]1C(F)(F)F 1903074288 ACTXSHBMBJUQRF-LIRRHRJNSA-N 433.471 4.610 30 10 IJEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 1912188437 NZHSMALSFWIFHV-KKSFZXQISA-N 436.557 4.853 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1922083697 RLEGVNLSGGXGOR-BKMJKUGQSA-N 446.632 4.668 30 10 IJEE C=CCC1(NC[C@@H](CCC)CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924534394 DGXDUEYEDIICNV-IBGZPJMESA-N 439.641 4.863 30 10 IJEE C#Cc1cccc(C[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951712292 AEVCRAQSEYFURM-HHHXNRCGSA-N 425.484 4.592 30 10 IJEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2020324082 MGDPXJDHIJUMGJ-MBSDFSHPSA-N 431.533 4.728 30 10 IJEE C=CCC1(NC[C@]2(C)CN(C(=O)OC(C)(C)C)C(C)(C)C2)CN(C(=O)OC(C)(C)C)C1 2022142620 VUYCOUYXLXDXQB-HSZRJFAPSA-N 437.625 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2023408648 RGVHJYPEYYQPBJ-UZUQRXQVSA-N 437.581 4.521 30 10 IJEE Cc1cccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2060636387 XGSQLQCVZXPCMX-UHFFFAOYSA-N 430.354 4.697 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N(CCCC)C[C@H]2CCCN3CCCC[C@H]23)c1C 2068810005 NPEFVXKCAXKTLP-ILBGXUMGSA-N 428.665 4.902 30 10 IJEE CC1(CNc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)CC1 2107450002 DRXUBRXIVVTZIC-UHFFFAOYSA-N 426.330 4.909 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3cc(Cl)ccc3Br)C2)OC1(C)C 2132682985 POXAZIGXVDFCPF-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(C[C@@H](O)c1cccc(Br)c1)C2 2169749411 AJULOUBXEKJYHU-OKZBNKHCSA-N 438.362 4.620 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(Br)c(C#N)c1 2180961262 OWIWEGZZLAJDHM-SUMWQHHRSA-N 436.350 4.733 30 10 IJEE CC1(C)CC[C@@H](C(=O)Nc2cc(Br)ccc2C#N)N(C(=O)OC(C)(C)C)C1 2181106005 QQIVYLSYXIBCHH-INIZCTEOSA-N 436.350 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1c(F)ccc(Br)c1F 2239748610 CWOKLPBVAZYLTK-SFTDATJTSA-N 440.328 4.902 30 10 IJEE Cc1cnc(NC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241096217 ZUANZERKKJRRHA-WBDAEOGXSA-N 447.432 4.544 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C#N 2243918238 CUDPFGJVQANSLK-CLOONOSVSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](O)CC#CC2CCCCC2)C1 2248459841 BWHAVHFYAIDHKG-QHCPKHFHSA-N 427.585 4.775 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2255865715 KNOSNMWLLJRWTM-UHFFFAOYSA-N 430.354 4.869 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2266741859 BRWPNPKGVLLNLO-INIZCTEOSA-N 439.365 4.710 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1c1c(Br)cccc1C#N 2285217186 QYKXKFGTHZURCW-QGZVFWFLSA-N 448.283 4.747 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2288327214 SZOCVXFOSWZRDB-ODULNIPZSA-N 434.374 4.635 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2F)c(OC(=O)c2ccc(OC)c(OC)c2)c1 2295990427 KSAYVAPUTZWRLP-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CN(CC1CC1)C(=O)OC(C)(C)C 2296220552 ZGHUKSTXMZPBOJ-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296277466 SNXFMHKHIXGHFK-LMCOJAPRSA-N 434.374 4.730 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C 2296278650 GNZBOHUNFFVWPA-DBVUQKKJSA-N 437.422 4.964 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@]1(C)CCN1C(=O)OC(C)(C)C 2296279252 NCDDPOPPZQPYNL-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)c(OC)c1 2296280409 DHUIWXSOQHLXHC-QHCPKHFHSA-N 429.472 4.639 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296288726 KACSMECMERBOJS-JUXOCIIHSA-N 434.374 4.731 30 10 IJEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)sc1C 2296933537 SPYLXBKJSBOHEQ-SFHVURJKSA-N 426.444 4.664 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc1 2321968142 GEEWAWHLIGAYIU-UHFFFAOYSA-N 447.512 4.811 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1Cl 2324017563 KTOOGWHRJMRTMT-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE SC[C@H](COCc1ccc(I)c(Br)c1)C1CCC1 2325381220 KGBRRIIZIRJUGC-LBPRGKRZSA-N 441.172 4.916 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1Cl 2325711120 INMHJBXHFYROPE-UHFFFAOYSA-N 439.851 4.884 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1cc(C)ccc1O 2326848387 VVNFVPJTLUHSLK-UHFFFAOYSA-N 426.542 4.654 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccc(C)c1 2326878651 SNGUHPOUYRONNN-UHFFFAOYSA-N 426.542 4.872 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1 2329918709 WUHLNTGFHMXGIP-UHFFFAOYSA-N 444.516 4.730 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2N=Cc2ccccc2C)cc1 2330024588 KQSLDDJOMXFHQB-UHFFFAOYSA-N 436.581 4.659 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccnc1 2330576468 XSVBDZIRMAXOBB-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE CCCSc1nnc(CC(C)(C)C)n1N=Cc1cc(Br)c(O)c(OC)c1 2330859921 CUKOVWAEIFTLLV-UHFFFAOYSA-N 441.395 4.728 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)cc1 2330970790 HGNMXIUWLURNJI-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)c1ccccc1 2331398178 PHSLFNLRYKDGHJ-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2ccccc2CNC(=O)OC(C)(C)C)n1 2337047842 LSILJSBPHGAQID-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2360197234 IOAWXKLTOMAKOJ-DBVUQKKJSA-N 435.406 4.672 30 10 IJEE CC[C@@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843540 JIMHSKUDIVHMIQ-FTJBHMTQSA-N 448.460 4.937 30 10 IJEE Cc1cc(OCc2cc(I)ccc2Br)nc(C)c1C#N 2367521343 DXAWQASPUZLZIA-UHFFFAOYSA-N 443.082 4.516 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 8759644 DWOQNRNOYBIQCP-UHFFFAOYSA-N 445.947 4.695 30 10 IJEE CCc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)Nc4c(C#N)cnn4C)c23)cc1 16893357 LBGWIHIYBCVGBI-ZDUSSCGKSA-N 448.577 4.645 30 10 IJEE COc1ccccc1N1CCN(/C(=N/C(=O)c2ccccc2)Nc2cc(C)cc(C)c2)CC1 32946349 XNMAKJHLOHKOEI-UHFFFAOYSA-N 442.563 4.743 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC)cc1 33758122 KOYSMJRALOELDG-HSZRJFAPSA-N 449.503 4.836 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 41285319 RPZGJRAXHWLRFM-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1cccs1 54643224 GTINGRVFYRQVCC-SFHVURJKSA-N 442.541 4.789 30 10 IJEE COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 64874088 ZGOLPPGFDDOCJX-JOCHJYFZSA-N 448.910 4.819 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccc(Cl)cc1 100439836 FERMSYRMVBCJOY-GOBJLOIFSA-N 434.835 4.875 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1nccs1 101128143 WRIDJXKMIFEVLS-XKOOYEHJSA-N 426.479 4.935 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925571 IYCJVWIESCGNEY-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccc(C)c2)c1 169966110 GQCYCUJRAYXDGW-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)c1 170079023 XBLOTVSERMGUQA-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 170083108 SXEHPZXMSVXFSN-HSZRJFAPSA-N 447.462 4.709 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccc(C)o1 170100269 SDYNWAQJSXPZQC-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 170113551 ITPJUJTZNXRNLL-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC)c1OC 170127399 AAMWQXZNIVQWKG-JOCHJYFZSA-N 431.488 4.845 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1C 170132135 ZFABROIHVABMKJ-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)c1 170221534 UPCJHQZIMNWKRU-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)c(OC)c1 170224008 VKNCCZXNRPFLTM-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1 170241676 NURAZFOUXPJJAK-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 170264283 UMXHDOVHABCCEW-LJQANCHMSA-N 442.309 4.676 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265774 MCXYJVRWEVHNMA-OFNKIYASSA-N 449.547 4.632 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCN(C)C)cc1 170267506 LCVSBXFFICAAHB-XMMPIXPASA-N 448.607 4.995 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)c(OC)c1 170269842 YYZRHVNWAWNFGM-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)o1 170307403 LWEJMUGKYIMEDI-QHCPKHFHSA-N 446.503 4.857 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1sccc1C 170313101 NSVHKJAWKLBKHD-SFHVURJKSA-N 449.956 4.722 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1O 170322816 OZYXJNXAZWUMPD-QFIPXVFZSA-N 433.460 4.668 30 10 IJEE C#CCN(C(=O)C(C)C)c1snc(-c2ccc(Br)cc2)c1Br 248168862 QMZHHIXRCQLTCJ-UHFFFAOYSA-N 442.176 4.957 30 10 IJEE O=C(CON=Cc1cc(Br)ccc1O)N1c2ccccc2Oc2ccccc21 252623466 OSDSKAQXLKEJQS-UHFFFAOYSA-N 439.265 4.976 30 10 IJEE Cc1ccc(N=C2C(=O)N(CN3CCN(Cc4ccccc4)CC3)c3ccccc32)c(C)c1 254303644 WMTQEIHFGXCMFR-UHFFFAOYSA-N 438.575 4.546 30 10 IJEE CCc1ccccc1NC(=S)NN=C1C(=O)N(Cc2cccc(C)c2)c2ccccc21 254905308 UUQGINIAXMPOPZ-UHFFFAOYSA-N 428.561 4.795 30 10 IJEE N#Cc1cccnc1N1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 302894109 YWPDUNJJTZZOSK-UHFFFAOYSA-N 436.437 4.601 30 10 IJEE CC1(C)OB(CCC[C@H](N)c2c(Br)ccc(Br)c2O)OC1(C)C 396439604 CWYDHZHSEIMLTI-LBPRGKRZSA-N 448.992 4.789 30 10 IJEE C=CCOc1cccc(CN[C@H](C(=O)O)c2c(C)nn(-c3cccc(Cl)c3)c2C)c1 426790394 DDCMNLLRFCJFPN-QFIPXVFZSA-N 425.916 4.623 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2C1=O 437504901 WCICMBXEECDEMT-UHFFFAOYSA-N 441.418 4.524 30 10 IJEE C=CCOc1ccc(CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C(C)(C)C)cc1 467877412 VPRHYSSVALNTOB-UHFFFAOYSA-N 434.580 4.931 30 10 IJEE C=CCn1c(Sc2cc(C)nc(-c3ccncc3)n2)nc2sc3c(c2c1=O)CCCC3 480398609 SMDUFGFFGPGENV-UHFFFAOYSA-N 447.589 4.834 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(OCC(C)C)CC1 508811621 IJUNZCNROJQFOZ-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 508812055 VBVGNNYNVJTQCS-FQEVSTJZSA-N 439.441 4.599 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)Cc3ccc(C(C)(C)C)cc3)c2C#N)C1 526857340 AZMCVPOPXSPWNL-WNNBVUDTSA-N 428.623 4.929 30 10 IJEE Cc1c(Br)ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1F 560761767 BJCDDRKCAZTUKT-UHFFFAOYSA-N 435.268 4.591 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 577829511 UTXCCPHFWDSFEX-LSDHHAIUSA-N 437.407 4.598 30 10 IJEE CCOc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OCC)cc2)cc1 586254072 PEBPUUUGEIHIOO-UHFFFAOYSA-N 436.533 4.751 30 10 IJEE C=CCN(C(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1nc(C(=O)OCC)cs1 604533826 MWSNVIFTGORGIM-UHFFFAOYSA-N 447.560 4.715 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)O[C@@H](C)C2 730686133 DLRAKMYPYZCPIT-IKICRFKJSA-N 438.911 4.513 30 10 IJEE CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 783040233 GTMCFWKAWKSTKN-UHFFFAOYSA-N 446.473 4.894 30 10 IJEE COc1ccc(C(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)cc1 1083903881 BECHOIBGSRYCNI-UHFFFAOYSA-N 436.324 4.541 30 10 IJEE CCCCCCCCOc1ccc(C=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084643308 VBVDSVKHESUAGM-UHFFFAOYSA-N 445.585 4.697 30 10 IJEE O=C1Nc2ccc(Cl)cc2C1=NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1 1088724890 GVZHCRPXWITBSP-UHFFFAOYSA-N 426.867 4.627 30 10 IJEE Oc1ccc(-c2ccccc2)cc1N/C(=N/CCc1cccc(F)c1)NC[C@@H]1CCCO1 1088736125 DBFODDBUCLREFW-QHCPKHFHSA-N 433.527 4.978 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(C(=O)OC)ccc2OCc2ccccc2)cc1 1126912894 KTIZJZZZTLQIEH-UHFFFAOYSA-N 431.488 4.798 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(-c2cccc(C#N)c2)cc1 1127993133 BOWOINWXOAEWRC-MYYSRTQBSA-N 431.442 4.874 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CCCN1C(=O)OC(C)(C)C 1128206640 ISZLFCHNWFZDJF-YZIHRLCOSA-N 442.600 4.832 30 10 IJEE COCC[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cccc(C(F)(F)F)c1 1129018684 ABFWXOKACXRJIG-SFHVURJKSA-N 429.398 4.740 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3c(Cl)ccc(S(=O)(=O)CC)c3Cl)cc21 1134353716 FBTCFXJOSHEHLF-UHFFFAOYSA-N 438.336 4.575 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccc1 1140440486 UIMBBWVXBWPERC-KAYWLYCHSA-N 431.624 4.545 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccc1 1140440489 UIMBBWVXBWPERC-SXOMAYOGSA-N 431.624 4.545 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(O)cc1F)c1ccc2c(c1)OCCO2 1144704237 AURUZCOVGIVDIK-UHFFFAOYSA-N 435.451 4.714 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 1153695695 PUOHUSWOQWHJOR-NHCUHLMSSA-N 444.959 4.539 30 10 IJEE C=CCn1c(SCC(=O)c2ccccc2F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164418417 LFQGYOYOCZUXBU-CYBMUJFWSA-N 428.554 4.883 30 10 IJEE C=CCn1c(SCC(=O)Cc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CCCCC3 1164444471 YSWQCQLLVYFJNG-UHFFFAOYSA-N 449.601 4.688 30 10 IJEE C=CCn1c(SC[C@H](OC)c2ccc(F)cc2)nnc1[C@@H]1COc2ccccc2O1 1164611002 IGECOHAMSYPZAA-PMACEKPBSA-N 427.501 4.596 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 1186246770 FJPIPFYJSJWBJC-UHFFFAOYSA-N 425.525 4.824 30 10 IJEE C=CCCCS(=O)(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 1195260868 PJRFCKAXAQGJKK-UHFFFAOYSA-N 430.639 4.873 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)[C@@H](OC3CCOCC3)c3ccccc3)cc21 1209767038 BCDHYKNSZKTSHU-HOYKHHGWSA-N 434.540 4.669 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 1214911800 FQSXZGMYWRJDKQ-NRFANRHFSA-N 426.948 4.957 30 10 IJEE C=CCN(C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)[C@@H](C)COC 1216313598 YFHIPOILYFXSQV-LBPRGKRZSA-N 430.858 4.814 30 10 IJEE CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)sc2C1 1216956143 DANQAPOCABRYPG-GOSISDBHSA-N 437.613 4.910 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1219084488 NXHJDSVFFNGKJD-APWZRJJASA-N 444.373 4.798 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC(C)C)CC(C)(C)C 1266134203 AXXLGKOVKMBSSQ-UHFFFAOYSA-N 425.367 4.629 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286318113 XRQNPMDITNQBJZ-PXNSSMCTSA-N 445.405 4.681 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1c(C)noc1C 1286341769 IOUQXIMKMPCDKM-KRWDZBQOSA-N 427.936 4.726 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCC1(C)C 1286365740 IKQWBSKAYUJDFK-OAHLLOKOSA-N 431.378 4.612 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CCC(C)C 1286498703 KPDNZGNBFUVZKX-UHFFFAOYSA-N 427.437 4.618 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](CC)C1 1286549074 DCCPWSILJWSQIY-NOXFTYBFSA-N 440.588 4.570 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 1286682699 BXDMXDZXNITEPC-LJQANCHMSA-N 429.584 4.834 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1 1286691908 UEUDKJDVHJMGOT-UHFFFAOYSA-N 429.996 4.541 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1286707171 BYLLXQLIGASZIC-NRFANRHFSA-N 448.970 4.726 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ncc(CC)s1 1286720624 YXUYTHOIBLJBRA-UHFFFAOYSA-N 435.553 4.807 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1286731031 XCNBWOHZMUMTHD-ZVOVDXHFSA-N 438.616 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1csc(CC)n1 1286749972 JYGFGAOCPLWNNM-UHFFFAOYSA-N 436.610 4.585 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC=C(Br)C1 1286771828 XCBXCKOLNKXGGC-UHFFFAOYSA-N 442.130 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](C)Oc2ccc(Cl)cc2)C1 1286809785 VNGHXAKWFNGQAJ-LAUBAEHRSA-N 430.980 4.838 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F 1287248755 HGOVBQQCEJKWOQ-QGZVFWFLSA-N 439.507 4.607 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCCc2ccccc2)CC1 1300391496 AGTZNGAUAHJSHS-UHFFFAOYSA-N 449.986 4.635 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCSC1 1300522316 BCOFTLKBIKTOBW-OAQYLSRUSA-N 436.625 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC(F)(F)C1 1300786633 GYPBJOIFCMAZGQ-GSHUGGBRSA-N 432.490 4.985 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](CC(C)C)N(C)C 1300817402 KLTIXTRJKRHSKJ-PXDATVDWSA-N 439.673 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OCC)C1 1300873417 GADGVXUFECVQHZ-MMOPVJDHSA-N 448.970 4.724 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 1301108836 WVFSPHJMMSXNAA-UHFFFAOYSA-N 448.615 4.745 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCc2sc(C)nc2C)CC1 1301134975 PRLCFKISRNQQJS-UHFFFAOYSA-N 441.576 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301149200 YOWYVQZUAGLCMN-IBGZPJMESA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCCOC2)C1 1301211038 BZHYPTZRDTZCIK-OAQYLSRUSA-N 431.378 4.681 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1CC)C1CC1 1301314371 VABPHZXLACEIRI-YLJYHZDGSA-N 429.996 4.711 30 10 IJEE C=CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](CC(C)C)N(C)C)C1CC1 1301317582 YKNCNTGPWODCKR-NRFANRHFSA-N 432.616 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](F)C1 1301390658 MFMVBKXIPSXZQV-QUCCMNQESA-N 447.599 4.709 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](C)OC)C1 1301543588 MTTWJTMMQWDHSC-GJZGRUSLSA-N 432.977 4.629 30 10 IJEE C=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F)C(=O)OCC 1307254823 DUFLMNMWDFMQES-UHFFFAOYSA-N 434.439 4.616 30 10 IJEE C=CCN(CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1307684758 PASDYCGGQRNFBZ-PKTZIBPZSA-N 444.616 4.686 30 10 IJEE CCN(C(=O)Cc1ccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1)c1ccccc1 1310159365 DTAZJKYAVAXZAD-UHFFFAOYSA-N 438.531 4.965 30 10 IJEE CCCc1c(NC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)cnn1-c1cccc(C#N)c1 1310576197 HKPJUMNWQKYQTM-OYHNWAKOSA-N 435.553 4.582 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](CC)Cc2cn(C)c3ccccc23)cc(OC)c1OC 1311748395 PLRGYPQLNVMKHU-NRFANRHFSA-N 435.568 4.745 30 10 IJEE C=CCC[C@H](NC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F)c1ccccc1 1312333988 GCVBSOJJFQTPCJ-OALUTQOASA-N 431.458 4.513 30 10 IJEE CSC1(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H](C)C#N)CCC1 1316401434 AYEDCBUGTBCMES-GFCCVEGCSA-N 440.436 4.651 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)ccc1Oc1ccc(C(F)(F)F)cc1 1339587977 ANZSRXHRSXACDQ-ROUUACIJSA-N 430.382 4.975 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1354173695 HNVHADKTLCGFGU-OAQYLSRUSA-N 442.478 4.590 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C 1356352073 KVNANPXCHIBGQQ-UHFFFAOYSA-N 433.515 4.943 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)c1sc(-c2ccc(C)c(C(F)(F)F)c2)nc1C 1358021275 RDWXYBYIFIZNTR-UHFFFAOYSA-N 426.460 4.637 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]2CCC[C@H]21 1358922727 OUOVMKOFMACQNP-OXJNMPFZSA-N 443.389 4.899 30 10 IJEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1358934587 GHAJXOKNUBXPFD-SFHVURJKSA-N 439.560 4.559 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCC[C@H]1C 1358973451 SEAKUSPVHJNHEN-RTWAWAEBSA-N 428.536 4.626 30 10 IJEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N(CCCCC)C(C)C 1359085962 FTWJDXQKCDGBQE-UHFFFAOYSA-N 445.409 4.830 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1359218272 DAYAQGAJUNVVSB-HXUWFJFHSA-N 430.524 4.753 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1359244601 JPXQSZLGFAFPCA-XMSQKQJNSA-N 449.020 4.574 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N(C)C 1359265076 XQBCTGLFMBSLHN-SFHVURJKSA-N 434.613 4.554 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C)CCC1 1359279748 REDXFULUNQKCEF-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@H](C)[C@H]2CC)cc1 1359308370 MPWLPCMZUDAYOI-HTAPYJJXSA-N 437.613 4.872 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccccc1 1360378727 YYGCZBOMJMTNAU-JTHBVZDNSA-N 427.566 4.718 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCCC1CCOCC1 1360740034 ATUXZIPXJOHFDR-SFHVURJKSA-N 441.551 4.504 30 10 IJEE C=CCc1cc(C(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)cc(OC)c1OC 1439708079 NRLWDRDSWQYQMN-UHFFFAOYSA-N 434.580 4.660 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)C(C)C 1443432578 XCKFNPZIZOXXTA-OAQYLSRUSA-N 440.588 4.963 30 10 IJEE C#CC1(F)CN(C(=O)c2cc(/C=C/c3ccc(C)o3)nc3ccc(Br)cc23)C1 1457994304 TWWAYRXDPOYPSQ-SOFGYWHQSA-N 439.284 4.866 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(Cc3ccc(C#N)cc3OC(F)F)C2)C1 1460106929 BWIZSKUBPQIPEF-ROUUACIJSA-N 435.515 4.629 30 10 IJEE C=C[C@H](CC(=O)N(C(C)C)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC)c1ccccc1 1462553756 MYFQXEADKOIDGD-QZTJIDSGSA-N 442.581 4.767 30 10 IJEE Cc1c(S(=O)(=O)N(Cc2ccc(O)cc2)Cc2ccco2)sc2ccc(C#N)cc12 1463166474 CPZVGIGFAGPKLT-UHFFFAOYSA-N 438.530 4.771 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1 1465340637 TYNGYEWRSJLTBV-UHFFFAOYSA-N 446.595 4.655 30 10 IJEE C=CCOc1cccc(NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1465382833 SDLFJCLCYYVNTF-BETUJISGSA-N 444.322 4.886 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(Cl)cc1F 1468031454 WTQBYESTFNBZMO-NHCUHLMSSA-N 434.342 4.943 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN1CCCC[C@H]1C 1469630711 MATBNTKJGZDPGS-KBMIEXCESA-N 447.579 4.766 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(Br)cc(OC)c1 1471292182 RWOKFFFPWDNLDB-UHFFFAOYSA-N 435.366 4.523 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1472290435 MFHLRMDLVJEMPV-QHCPKHFHSA-N 438.593 4.657 30 10 IJEE N#CCOc1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2Br)cc1 1475877011 HNNXWOMHVRQJTG-GOSISDBHSA-N 428.330 4.981 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)c1 1476104362 RNXLMFUYADUBTA-FPOVZHCZSA-N 429.561 4.896 30 10 IJEE C#C[C@H](NC(=O)N[C@](C)(c1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1477151221 OIPBEYMWICEQOE-FUHWJXTLSA-N 425.248 4.900 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](N2CCCC2)C1 1507576505 XDOMBCLZGFUFBG-GOTSBHOMSA-N 435.616 4.513 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](c1cccnc1)C(C)C 1507601545 HFKIJJSMBADFPO-JTHBVZDNSA-N 431.584 4.939 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)c1ncc(C)s1 1507606875 AFAWGWODQRGLLK-CQSZACIVSA-N 444.402 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(CCC)C1 1507763765 FOIPXDPGHKRCHQ-QSEAXJEQSA-N 449.643 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CC#N 1507796146 LEYVKMHHBCGIPY-MSYCTHLASA-N 430.556 4.521 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C(C)(C)C)C1 1507804706 MFQBVCBBFVIWKC-QTEQDKRBSA-N 426.580 4.862 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(CCC(C)(C)C)CC1 1507839521 GECZVXHFNKGDKJ-UHFFFAOYSA-N 446.039 4.749 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507887659 DQOMOYDCRAPCGC-QGZVFWFLSA-N 444.885 4.634 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(C)oc3ccccc23)CC1 1507894306 AGBVDWLPGMPQRF-UHFFFAOYSA-N 435.572 4.702 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cnn(C)c2C)CC1 1507900255 HQEDMNVIMXNGDW-UHFFFAOYSA-N 448.615 4.863 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 1507925113 ZDXMMCHXWAPKGU-BBTUJRGHSA-N 437.975 4.967 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(C)C)C1 1507942807 XFJQGCDMJFMTCT-LJQANCHMSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCc2ccc(Br)cc2C1 1507951882 ZAPRSKVMYYSINT-UHFFFAOYSA-N 438.373 4.555 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1507959521 QHRAQBUWBOJQJP-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1507974366 WYNPCZNIIZPKIL-HRAATJIYSA-N 437.371 4.602 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCCOC(C)C)C1CC1 1507987902 FQOLPIXGKZVZKY-UHFFFAOYSA-N 425.396 4.739 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC1(N(C)C)CCCC1 1508004542 HRXWHLFBXJSQLC-UHFFFAOYSA-N 434.563 4.546 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1cc(C)oc1C 1508033171 LPLVLFQIIUTCQF-RUZDIDTESA-N 438.572 4.881 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cnn(C)c1 1508150877 QQSOXHOMEIRFCD-UHFFFAOYSA-N 442.658 4.565 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](CC)Oc2cccc(F)c2)s1 1524735237 CUMYJBXFXKPVBQ-HNNXBMFYSA-N 428.982 4.952 30 10 IJEE N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 1527875739 GXFMUVHVSYEZBU-UHFFFAOYSA-N 430.407 4.771 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc3c(s2)CCCCCC3)nnc1-c1ccco1 1528157070 IPENQENKKFWSFR-UHFFFAOYSA-N 443.598 4.961 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nnc(-c3ccccc3Cl)s2)CCCN1C(=O)OC(C)(C)C 1528208022 DJMWJYKLZSGNNR-NRFANRHFSA-N 446.960 4.590 30 10 IJEE C#Cc1cccc(N(C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)C(C)C)c1 1529908307 BRIBIKPIJUCEBU-QHCPKHFHSA-N 436.552 4.554 30 10 IJEE Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(C)c(C#N)cn3)[C@@H]2c2cccs2)cc1 1530645705 BOXXDVYQXIULNQ-WMZHIEFXSA-N 430.533 4.755 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1occc1CN1C(=O)Cc2ccccc21 1538509984 VTKQXGKWMWBBRQ-UHFFFAOYSA-N 426.925 4.912 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1539345246 RWQWDFSWMIPUPN-DHIUTWEWSA-N 433.644 4.576 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1539379374 ONNBYDZCTHEAEE-DGWAXEAPSA-N 447.432 4.537 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCOc1ncccc1Cl 1539384416 HMTQIQIVAPRXEV-KRWDZBQOSA-N 441.938 4.698 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC2(C)C)c1 1539537356 USPIKEOIGJHDDW-HXUWFJFHSA-N 432.973 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1cccnc1 1539538124 CXEVGIXJKQVNFQ-HFZDXXHNSA-N 429.568 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H]1CCO[C@@H](C)C1 1539651612 IKWYOPQFURIUFX-VQTJNVASSA-N 434.588 4.943 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N(C[C@@H]1CCOC1)C1CC1 1539782815 CFBUJDGZPBRTFS-LBPRGKRZSA-N 443.798 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCC[C@H](SCC)C2)nnc1[C@]1(OCC)CCOC1 1539932173 XPSVDFSPBFGEIU-CVDCTZTESA-N 436.666 4.645 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 1539939576 IRWRWKDFERGXKT-UVKLAMSESA-N 446.599 4.517 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1539939776 KCWYZAGFPNEIRY-GOTSBHOMSA-N 433.600 4.895 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 1539940247 PDKJDDYHZDFIFU-IBGZPJMESA-N 434.506 4.799 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 1539946618 CVOXEJXECCIPHU-QHCPKHFHSA-N 447.631 4.735 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(COc2ccccc2)c1 1545003823 OPJQJFGTIPLJMC-OAQYLSRUSA-N 444.959 4.918 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 1545833307 SFXFKAQTTKFCIH-SFHVURJKSA-N 439.383 4.838 30 10 IJEE CCN(CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(CC#N)CC2)cc1 1547477245 CCPYWFGUUPEUKO-UHFFFAOYSA-N 436.648 4.887 30 10 IJEE CS[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H](C)CC#N)C(C)(C)C 1555856757 DNYQDTVRYWUXMA-QUCCMNQESA-N 429.634 4.990 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(SCc4ccccc4)cn3)C2)c(F)c1 1567065817 DYTMGSILALRXGY-IBGZPJMESA-N 432.524 4.850 30 10 IJEE CC1CCN([C@@H](CNC(=O)c2ccc(Br)cc2C#N)c2ccccc2)CC1 1583056104 AGXBGTIQGULIPF-NRFANRHFSA-N 426.358 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@H]1C 1587563115 XSXTXUBSLYQMCA-XUVXKRRUSA-N 444.023 4.794 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(C)CCCS1 1588162392 QTBKFFULCDTJQR-RUZDIDTESA-N 436.625 4.647 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC[C@@H]1CCCCO1 1588560174 NZQZPPSFZYQDJL-QFIPXVFZSA-N 438.572 4.669 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]2CCC[C@@H]21 1589421444 MUOZMMVEHWNEON-KSSFIOAISA-N 437.332 4.825 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1593840469 IBXRHWWBVYGPJJ-UHFFFAOYSA-N 433.339 4.740 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCC(C(F)(F)F)CC2)CC1 1594191944 AXVRMPGHYIFATA-IVMQYODDSA-N 444.542 4.773 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2oc(CCC)nc2C)CC1 1594431133 XMQLEQYWADCXBQ-UHFFFAOYSA-N 435.572 4.865 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1594461290 PGHPJSRTCFNUNV-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccccn1 1594760714 NRMGRRLCEHEZFN-UHFFFAOYSA-N 442.361 4.617 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCc1csc(CC)n1 1595084108 HUDNCSYIEDYELC-UHFFFAOYSA-N 434.613 4.901 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CSCCS1 1595116914 XMSCVEQMHCHMNP-PMACEKPBSA-N 430.643 4.561 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)c1c(C)noc1C 1595229313 QNFNJMDZTJBTRI-GOSISDBHSA-N 430.556 4.868 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[C@H]1C 1595233961 AWGBXGJRTXFLOK-SJLPKXTDSA-N 440.389 4.927 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(Cl)=C(Cl)C2)cc1 1595614344 SDOMSYWOKXMPLP-UHFFFAOYSA-N 430.339 4.786 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2CCCC2)C1 1595679683 AARHCMJWLPGVBI-QGZVFWFLSA-N 449.368 4.818 30 10 IJEE CC(C)(NC(=O)COc1ccc(C#N)c(Br)c1)c1ccc(C(F)(F)F)cc1 1598233032 CSYYINNDZNRIBL-UHFFFAOYSA-N 441.247 4.770 30 10 IJEE C[C@@]1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)CCCO1 1611765192 GVFOXZKKJKJHTJ-SFTDATJTSA-N 434.371 4.951 30 10 IJEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](CC(C)C)C2)n1 1612227512 CBCYPRYEPLYMDG-JOCHJYFZSA-N 444.583 4.547 30 10 IJEE C[C@@H]1CC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)C[C@@H](C)O1 1612686962 GMYUCLRPAOEFEN-QZTJIDSGSA-N 435.597 4.761 30 10 IJEE C=CCn1c(SCc2cc(CO)ccc2F)nc2sc3c(c2c1=O)CC[C@H](C)C3 1613104366 DTFKBYNJSINIBO-ZDUSSCGKSA-N 430.570 4.693 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 1624311760 FHAGHTBBNQBRAO-UHFFFAOYSA-N 428.357 4.683 30 10 IJEE C[C@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1624981840 CKEQMCGBZFPDEY-CYFREDJKSA-N 444.579 4.767 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 1627707972 BFOKOIBEDARFDK-IAGOWNOFSA-N 445.412 4.992 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(-c2csc(C)n2)s1 1628890357 PDYGNNQTYBGHTN-UHFFFAOYSA-N 436.562 4.861 30 10 IJEE C=C[C@@H](COC)NC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1634543436 LPFLJHODZGJXHN-NRFANRHFSA-N 448.394 4.611 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CC)Cc1cn(C)c2ccccc12 1635097049 WCSKATHNLYFNOU-FQEVSTJZSA-N 428.536 4.680 30 10 IJEE C#CCOc1ccc(CNC(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)nc2O)cc1 1636915266 ARTRNSXDBMVGLR-UHFFFAOYSA-N 441.531 4.660 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(-c3cc(C)ccc3F)[nH]n2)CCCN1C(=O)OC(C)(C)C 1638521192 UQFOATVVWPEAIL-QHCPKHFHSA-N 428.508 4.809 30 10 IJEE C=CCn1c(SCc2ccccc2CC(=O)OC)nc2sc3c(c2c1=O)CCCC3 1640693293 SCPDVZRHRNATCG-UHFFFAOYSA-N 440.590 4.531 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1OC 1645299962 JLMQPLXIJLNXSP-HUUCEWRRSA-N 437.403 4.773 30 10 IJEE C#CCC1(NC(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)CCCCC1 1646457269 PDTMWFXEPFSEAE-UHFFFAOYSA-N 431.330 4.781 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 1652554499 FBOHIHYYYSXDGE-DYESRHJHSA-N 438.503 4.799 30 10 IJEE Cc1nsc(N2CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1C#N 1653757997 HMIUSANDRUPPBH-UHFFFAOYSA-N 434.409 4.683 30 10 IJEE C=CCN1CC[C@H](Sc2nc3sc(C)c(C)c3c(=O)n2-c2ccc(Cl)cc2)C1=O 1655982390 YUZZMHLSZFQKJJ-INIZCTEOSA-N 445.997 4.596 30 10 IJEE C=CCN(Cc1ccc(SC(=O)N(C)C)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1658259513 HXEQMZUCJOJPSC-QFIPXVFZSA-N 426.582 4.623 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1 1661120273 TYGNLQYLSCZVGF-FOIQADDNSA-N 438.387 4.622 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1OC 1663656754 FWRPVHWVMYHNIQ-UHFFFAOYSA-N 426.985 4.896 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)cc1Br 1663730298 GVQKIKBMKVSYNJ-IBGZPJMESA-N 431.355 4.627 30 10 IJEE C#CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCCc2ccccc21 1666028651 HOUJTZPQYRTLPT-WOVHNISZSA-N 431.580 4.841 30 10 IJEE CCCOc1ccc(O[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 1667224067 GNBRTPJCBBEHBL-RTWAWAEBSA-N 448.972 4.669 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(Br)c1)c1ccc(Br)cc1 1668476535 LUFCNYXGWDDISX-OAHLLOKOSA-N 438.119 4.716 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1C[C@@H](OCC)C12CCCCC2)c1ccc(Br)cc1 1674025273 BRPRUULRZFFXSC-SLFFLAALSA-N 433.390 4.893 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1679173915 SITFIHWQSTYLRF-MOPGFXCFSA-N 433.474 4.651 30 10 IJEE C=CC[C@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccncc1 1679334171 JQJWETQZKPNZFX-FCHUYYIVSA-N 438.572 4.826 30 10 IJEE C#C[C@@H](NC(=O)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 1682348844 MEJUWUWPWRAEFU-TZIWHRDSSA-N 443.563 4.617 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1686027508 RPWTYQJBLQHPBB-GOSISDBHSA-N 436.394 4.545 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C)C1CCCCC1 1690059384 PBFAPBXYBTVMET-LJQANCHMSA-N 444.023 4.796 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1690179058 KWXFSHQBWGHFHW-HNNXBMFYSA-N 432.565 4.772 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccc(Cl)cc1 1690276188 OTGFSSBGUKFMNK-UHFFFAOYSA-N 434.769 4.944 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)CC1 1690420417 NKVDUPBAYMVXDX-HXUWFJFHSA-N 443.611 4.938 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690422731 YPNHHKNUEILCKZ-QMHKHESXSA-N 448.970 4.724 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C)CC1)c1ccccc1 1690446755 FPARECXJRATFFM-VABKMULXSA-N 438.616 4.988 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690455771 NVENUDRSMROWPA-AEFFLSMTSA-N 429.565 4.552 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCSC1)C1CC1 1690539198 XZWOJWCYQVNZES-AWEZNQCLSA-N 449.418 4.624 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1690569999 RSTBIOMCWYKQIQ-PUHATCMVSA-N 440.563 4.833 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CCO[C@H]1C(C)C 1690571798 JGZWOQBNCAPJMD-FCEUIQTBSA-N 428.552 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCN1CCC[C@@H](C)C1 1690585263 GUWRRWTYFIHOTA-GOSISDBHSA-N 444.421 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1OC 1690586876 VLFJCKQTPOANAA-IEBWSBKVSA-N 431.378 4.701 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1690611391 KRTMQBRRDWCBNM-QZTJIDSGSA-N 438.494 4.886 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCSC2)c1C 1692886197 GTQNZQUFXNYBAH-RLLQIKCJSA-N 427.618 4.917 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1Cc1cccs1 1705509493 JGRBCOUYOJHVPH-LJQANCHMSA-N 435.553 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(Cl)nc1 1705678037 LWMPJTKFZOWXEJ-HSZRJFAPSA-N 438.000 4.968 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1cccc(Cl)c1 1705698959 ATQYMPDPWQAJNP-WIYYLYMNSA-N 430.980 4.695 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](CCOC)C1 1705732459 ZWEZNADZTKGRBV-MOPGFXCFSA-N 444.645 4.587 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](SC)C1 1705740446 LQCMPCSOIPWLRT-VAMGGRTRSA-N 436.666 4.511 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1705781094 PINLNDZRSUVZSF-UHFFFAOYSA-N 435.616 4.652 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1705800421 XEXIHYKSQSXOMS-GOSISDBHSA-N 431.531 4.985 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705800643 FFJZBLRBRPBJJC-UHFFFAOYSA-N 443.477 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCN(C(=O)c3cccc(C)c3)CC2)nnc1C(C)(C)C 1705802634 QSSQTJFZTHXRQO-UHFFFAOYSA-N 437.632 4.839 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1CCc1nc(C)c(C)s1 1705856490 VEFOURDOTQASAS-UHFFFAOYSA-N 425.602 4.919 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)c1ccco1 1705939632 IHNXLYMNRMFQKS-GOSISDBHSA-N 439.585 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OC)CCCCC1 1722282740 BRVXVMYAYFTPBN-FQEVSTJZSA-N 448.567 4.924 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722308182 HNJFQBKDKDFHMP-GKJHBJHPSA-N 442.991 4.736 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C)c1 1722420863 MGCCSKSUYMJLGD-IBGZPJMESA-N 434.609 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCCC(F)(F)F 1722471653 MQPWVVJYNHIZLB-OAQYLSRUSA-N 429.446 4.935 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(C2CC2)C1 1722504232 GGPPYUPRNXJZIE-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)c1nccs1 1722505626 OLPAVWJAHUYTIT-INIZCTEOSA-N 427.574 4.625 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1722515199 KAQWWIXDJKDOCS-PMACEKPBSA-N 426.605 4.678 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1722577774 QCJOXLRCGFQWGV-XPNTWCBSSA-N 429.653 4.680 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2ncc(C)s2)CC1 1722579559 QXMSPEPXMXLMRT-KRWDZBQOSA-N 448.596 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1722586449 FTEONLAWFWHWEP-UHFFFAOYSA-N 438.620 4.541 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1722603756 MQTLNWLOCAVAJY-ZEQRLZLVSA-N 437.632 4.629 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccccn1)C1CC1 1722645661 VFTOSYPPVGEZLL-UHFFFAOYSA-N 441.377 4.563 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1722646026 FPPZWIZQPGIWTN-ZIAGYGMSSA-N 437.407 4.739 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1C[C@H]1CF 1722662471 XWEIEUHWNHKAKW-HNAYVOBHSA-N 428.533 4.747 30 10 IJEE CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)C[C@@H](C)C#N)CCC1 1727349438 BBNPGMZFJMXVRD-HNNXBMFYSA-N 446.393 4.892 30 10 IJEE CCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1728335036 CHHMWKVQYHPRBM-UHFFFAOYSA-N 428.462 4.761 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@H]2CC)c1 1740564377 LFRALRZOZDSIEE-NHCUHLMSSA-N 435.616 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccccc1OCC(C)C 1740733980 UTOSMTDRPVNBOR-RUZDIDTESA-N 449.624 4.709 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740769689 QZEAEDJEDQARSL-PMACEKPBSA-N 437.588 4.593 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCCC2(CCCC2)C1 1740797603 RRXGAWUDCUZNFW-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740816291 ASTFVVHMGKASPE-YVHKJVDXSA-N 425.017 4.591 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1=CCCOC1)C1CC1 1740907590 XODZKIGVJNESDD-UHFFFAOYSA-N 429.362 4.518 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H]1CSCCS1 1740915115 VDTHIMDFKIMERF-XLIONFOSSA-N 427.643 4.704 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)SC 1740920274 KXJUYMQSHAQKLF-UHFFFAOYSA-N 442.608 4.613 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1sccc1C 1740934540 IUYQTDKLKFRPEG-UHFFFAOYSA-N 446.624 4.793 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1740942346 MDILGXQDHVAXJP-DOTOQJQBSA-N 443.539 4.566 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1748738966 VBXDCSGFHABWJB-QGZVFWFLSA-N 426.977 4.556 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1c(C)coc1C 1748915480 VJAQHIZJINHUCR-UHFFFAOYSA-N 431.309 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](OC)C(C)C 1749073454 PSGYEPWJIPDTJI-ZEQKJWHPSA-N 438.616 4.952 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1749091599 ADHYWGDCPFXXAR-ZWKOTPCHSA-N 446.418 4.836 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1749384493 CHCPBAPGCBJPQR-RTWAWAEBSA-N 439.604 4.694 30 10 IJEE C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1749508346 OYDZJGLOCAAYOE-NQIIRXRSSA-N 439.604 4.888 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CC[S@](=O)C(C)(C)C 1749544417 HLFLJSLBADUUOP-HKBQPEDESA-N 446.636 4.890 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](SC)C(C)(C)C 1749544774 NLGMXVSDYYEOFA-SFHVURJKSA-N 447.674 4.546 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C 1749557957 PIUGXNKGPROOTE-UNMCSNQZSA-N 429.653 4.638 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1749762554 XZFLZZWTWZEFTC-PXNSSMCTSA-N 432.659 4.958 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCO[C@H]1C(C)C 1760104516 ZZZYYLBLYGISCD-ORGXJRBJSA-N 426.630 4.650 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccsc1 1760198795 PAORIICYHSCVSG-UHFFFAOYSA-N 432.549 4.995 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C2CC2)CCC1 1760209565 FGYKXYDBWFBSMZ-UHFFFAOYSA-N 443.378 4.817 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1Cc1cccnc1OCCCC 1760297096 GYSMBQMKOVANBD-HHHXNRCGSA-N 443.595 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(C)C)C1 1760326491 WSOQGHGXVZKELT-RQTOMXEWSA-N 438.616 4.937 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCSC2)CC1 1760384901 HVFCHKMZWIANBE-SFHVURJKSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC=C(COC)CC1 1760407625 JLKBWDQUWKMCAN-UHFFFAOYSA-N 437.588 4.532 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CCCC2)CC1 1760408061 ZXZGYBYCIJUJNY-BGYRXZFFSA-N 429.609 4.641 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1760417282 AOVRWNCERUAIBQ-IRLDBZIGSA-N 437.632 4.893 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCO1 1760484452 ZSLGXNRXFQEPMI-XLIONFOSSA-N 442.560 4.990 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC1(CC)CCOCC1 1760501311 MTHFNCWHIGAJGS-OAQYLSRUSA-N 428.577 4.555 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](Oc3ccccn3)C2)cc1 1760529429 GGAVXNUIJYHIGO-JOCHJYFZSA-N 447.583 4.533 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1760562447 JYCYJZDBCNYLEZ-LJQANCHMSA-N 439.629 4.609 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)C1 1766794327 AXBCMRFMDZJBQA-NRFANRHFSA-N 436.560 4.511 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CCCCC1)N(C)C 1767260041 CZPNVUHEYDHKBW-HXUWFJFHSA-N 448.537 4.716 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1770385814 CBMFLMBOZRHQBH-LVCYWYKZSA-N 425.577 4.533 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)COc3cccc(NC(=O)C(C)(C)C)c3)c2C#N)C1 1860089464 CFPZCHWTXFRVFF-AWEZNQCLSA-N 425.554 4.747 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc2ccccc12 1862434795 HKJWXFASVYEIGO-QFIPXVFZSA-N 434.923 4.633 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(F)c2)cc1 1862517825 WJNPONQMPIVLIE-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862557135 DWKFWYUQKUFFEU-IVZQSRNASA-N 443.459 4.517 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2F)cc1 1862591013 SSECIXCJSXFQCF-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591653 LNGRAIIICHGJPA-QFIPXVFZSA-N 449.890 4.703 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Cl)c1 1862591909 QQPDXVWASBYCSQ-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862661489 CBNADXWMEIIXFV-XMMPIXPASA-N 442.515 4.992 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862663809 ULKLYVQTFWPZSO-JTHBVZDNSA-N 435.520 4.576 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(C)cc2)cc1 1862687311 JFZUSXAABMODBW-QFIPXVFZSA-N 433.529 4.886 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862691791 VXIDZMOSCRMQNK-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862736325 IAVCQJCSHWAXRJ-HXUWFJFHSA-N 434.473 4.743 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862736672 MHIPLJPFIWAYMH-HSZRJFAPSA-N 442.471 4.724 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 1862746195 APAFJVUDXQONOI-OAQYLSRUSA-N 436.464 4.602 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863330294 YTMPZFPTLGHYSY-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1 1868727894 YDFAQZQZSGAYFK-JYFHCDHNSA-N 440.534 4.972 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1 1868936792 YDVTYHDQYPCKKY-IRLDBZIGSA-N 434.621 4.784 30 10 IJEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870411811 NSLBGFCDUPELLE-ZRZAMGCNSA-N 449.680 4.539 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccn2)C3=O)c1 1871390952 HXTJHJHTHGSBNN-HMAPJEAMSA-N 429.428 4.623 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871393494 QCGFUSMDAFVYEA-MOSHPQCFSA-N 426.310 4.945 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)cc1OC 1871456226 SXZZAZKOLTXRGB-CFRMEGHHSA-N 445.471 4.646 30 10 IJEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=NCCCOCC)[nH]1 1871741585 VGWRRGHCHLUVKQ-UHFFFAOYSA-N 436.689 4.521 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872007135 QSXWUVZKOORGTK-LJQANCHMSA-N 428.598 4.805 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872084000 UKFFSATTZZDUMY-NRFANRHFSA-N 434.989 4.887 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872110295 HHQGFURGZVWOBN-JPYJTQIMSA-N 439.581 4.788 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CCC 1872164209 OSGJLVIKXSMPFZ-QFIPXVFZSA-N 438.634 4.981 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872555811 XSEKSPYCQFGXBX-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)c(C)c1 1872786819 SXCASSUYQJSSKN-SFHVURJKSA-N 439.562 4.597 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cc(C)ccc3O)cc2[nH]1 1872805421 PMXCZFDWPBVQAN-UHFFFAOYSA-N 429.476 4.973 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCCC)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 1874277475 TZHXVJGADDBVSJ-WORIPGKHSA-N 443.617 4.566 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1O 1874416319 KDCNCDWDFUQATH-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1OCCC 1874425272 ZGGNJKOMGZGMLN-HYARGMPZSA-N 444.582 4.723 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)OCCC)cc1 1874441709 HDLKXKUJUBTHMY-LFVJCYFKSA-N 446.617 4.973 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)cc1 1874447415 BJDKMXVXEPGANO-LSCMLXDISA-N 426.517 4.842 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2O)c1C 1874452210 JPYCRFXRNUNGFD-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874472659 QJHBHNYGBMHCCY-OEAKJJBVSA-N 435.380 4.991 30 10 IJEE COC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1Br 1874636282 SLCYTBUMMBUHMK-ZZXKWVIFSA-N 439.689 4.559 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCC 1874639121 JXKAPIIZNNTJCV-RMKNXTFCSA-N 432.900 4.975 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1 1875136069 VSYYGGJSAGNREJ-XYOKQWHBSA-N 446.415 4.856 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC(C)(C)N(c2cc(Br)cc(F)c2C#N)C1 1878986006 HGQMKWWXIIZAJS-ZDUSSCGKSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c1 1879743275 LFYWKJIACZAQMO-BXKMTCNYSA-N 442.365 4.732 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)ccc1Br 1898324290 KQLLIRNYPLGOGX-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)C1(OC)CCCC1 2004927464 NCXOIOOPJXKUNC-FCHUYYIVSA-N 432.605 4.590 30 10 IJEE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2080003021 GXMHMGHZWNBSOM-QGZVFWFLSA-N 449.336 4.979 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)C1 2106024266 QPCBDYUEMZWVJD-TZMCWYRMSA-N 426.330 4.955 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2124450066 VYRUQENATKWVGX-IAGOWNOFSA-N 429.399 4.773 30 10 IJEE CCCN[C@](C#N)(CN(CCC(F)(F)F)Cc1ccccc1)C1(Br)CC1 2141690819 WUKPHVZOMRUIGA-GOSISDBHSA-N 432.328 4.630 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCCC 2145540171 ATSYHYVKRMPHMK-VQTJNVASSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3cc(Br)c(C#N)cc3F)C[C@@]2(C)C1 2172914717 XZEOFPMNQDOKRK-MNVSYLFESA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)cc(F)c1C#N 2174765928 RMPJTKSQLLILIT-XMQYKBBCSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CC=CCC1 2196085220 JXQKIZJOXVILIA-SUMWQHHRSA-N 434.334 4.509 30 10 IJEE C=CCCCCCCCC[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2207428602 YOCGVVOHZVFJOJ-WRGVRERRSA-N 437.602 4.810 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1CCC 2224264036 YBJKPSRJNWAHRS-YOEHRIQHSA-N 429.403 4.566 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229112761 CVRQGKATRKLDPM-MSOLQXFVSA-N 441.486 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](N)C#Cc3ccccc3Br)C[C@@H]21 2235750508 WGMSOBZYPMJUDM-ZULIPRJHSA-N 433.390 4.554 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2240678420 RTXSZPPBIYKLNZ-LEAZDLGRSA-N 433.390 4.696 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2247768318 PIVUBUXZSUIMCC-UHFFFAOYSA-N 427.781 4.938 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2252604255 QXTFFTZCIPUDCD-MGPUTAFESA-N 447.498 4.858 30 10 IJEE CN(Cc1ccccc1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2266711217 YXDONAHQNXKONQ-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@@H](N)C#Cc1ccc(Br)cc1 2278815770 KAFSPHGOIIZKSU-IRXDYDNUSA-N 441.435 4.553 30 10 IJEE Cc1sc(CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)c(Br)c1C 2280787214 XXDGPWZTWPIZEV-UHFFFAOYSA-N 441.175 4.573 30 10 IJEE C#CCOc1c(CC=C)cc(C=C2NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 2294046306 BVLFFKVLISBJNK-UHFFFAOYSA-N 436.895 4.577 30 10 IJEE COc1ccc(C(O)=C2Oc3ccccc3C2=NC(=O)c2ccc(OC)c(OC)c2)cc1 2296103000 KEDTVQLOSWJXEM-UHFFFAOYSA-N 431.444 4.661 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2296136291 YYBVXZPROMUFEI-GGAORHGYSA-N 449.547 4.593 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2296267397 SKFZSXCXTFNQBA-ICSRJNTNSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2296287639 YSGZPRLJBZRNOH-CVEARBPZSA-N 449.311 4.577 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301441157 SJOFOYPSEGMGCL-YTFSRNRJSA-N 428.617 4.904 30 10 IJEE COc1ccc(C=C2SC(=Nc3ccccn3)N(c3ccccc3)C2=O)c(OC)c1OC 2314541966 RGHWSRJCMOXYCY-UHFFFAOYSA-N 447.516 4.916 30 10 IJEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 2321936934 KZGXPEAUROWPNR-UHFFFAOYSA-N 445.446 4.565 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2321985507 HSESARDMMHIYLK-UHFFFAOYSA-N 441.483 4.750 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1F 2323202410 QHSXEYODGGTDJZ-GOSISDBHSA-N 433.479 4.987 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)c1 2323289254 STBKGUZYKPVCAN-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(OC)c1)C2=O 2324893498 YZMGTOKQOFYLRU-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE COc1cc(C=C2Oc3c(ccc(OCC(=O)C(C)(C)C)c3C)C2=O)cc(OC)c1OC 2324919374 QPJWOUXOJUQOLP-UHFFFAOYSA-N 440.492 4.631 30 10 IJEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2325727256 NMLXDFZCSKEODV-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1N=Cc1ccncc1 2328229791 FDCOBZFHJMJRKN-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccccc1Cl 2330221260 IITDFFARERMRQR-UHFFFAOYSA-N 442.972 4.644 30 10 IJEE CCSc1nnc(CCOC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331271482 PPZVIPMPSWUHMV-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCC2)cc1 2331543360 FGGALDDYIUVNEX-GOSISDBHSA-N 447.608 4.960 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1sccc1C 2331674652 CNWPSRCJODQOCA-UHFFFAOYSA-N 427.599 4.947 30 10 IJEE CCCSc1nnc(C(C)C)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331705673 WVOXZSICOWNXOG-UHFFFAOYSA-N 427.368 4.653 30 10 IJEE CC[C@@H](NCC[C@H](C)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514339 VFEWKXKZMRYXFQ-SQJMNOBHSA-N 436.449 4.937 30 10 IJEE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339544857 MJIPZHAINOZTDI-HSZRJFAPSA-N 433.405 4.827 30 10 IJEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 2339574874 OGNKMEIDYMOBRS-SDNWHVSQSA-N 443.397 4.562 30 10 IJEE CC1(C)OB(c2cc(Nc3ccc(Cl)c(Br)c3)ncc2F)OC1(C)C 2345742480 YUERICFFWIJCBI-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE Cc1cc(C#N)cc(NCc2ccc(I)c(Br)c2)c1 2349834951 IEPFCVQLEDIBPF-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CC[C@H](NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363841828 RWWXXNUUSHKRAD-LSQMVHIFSA-N 446.444 4.547 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1 2365109458 WLAWVKNBOCONQI-MGGUNBIHSA-N 447.432 4.718 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2ccc([N+](=O)[O-])c(C#N)n2)c1 2370342708 YWHLHNIKBCGVQR-UHFFFAOYSA-N 435.234 4.763 30 10 IJEE C=CCn1c(SCC(=O)NC2CCCCC2)nc2scc(-c3cccs3)c2c1=O 11382920 DRBGBYWDGYMUEL-UHFFFAOYSA-N 445.635 4.914 30 10 IJEE COc1cccc(N/C(S)=C(/C(=O)c2ccc(OC(F)F)cc2)[n+]2cccc(C)c2)c1 20887836 RINQFABVPLEWNP-UHFFFAOYSA-O 443.495 4.943 30 10 IJEE Cc1nc(-c2ccccc2)c(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 27750187 ATOIYKPXFWDRRP-LBPRGKRZSA-N 437.546 4.724 30 10 IJEE C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32291466 KZXMQZRTKINFFZ-BXKMTCNYSA-N 425.488 4.984 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(N(C)C)cc2)c1 33698672 YYHYHRRTEDZNRK-XMMPIXPASA-N 441.531 4.543 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)NCCc1ccccn1)n2Cc1cc(F)ccc1F 35927883 XQBDWJTVCJJXGS-UHFFFAOYSA-N 447.485 4.900 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C 36308077 UCVAHBPUYLOFQB-QHCPKHFHSA-N 449.595 4.901 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)c(OC)c1 41292052 FODKPOBVJIFABC-JJFYIABZSA-N 434.419 4.987 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc1 41646067 GEEWAWHLIGAYIU-NHDPSOOVSA-N 447.512 4.811 30 10 IJEE CCSc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1 59019339 JAABWHRGRFMCBG-RGVLZGJSSA-N 432.347 4.704 30 10 IJEE CC(C)NC(=O)CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59310295 LDBVNOWWYIOAQQ-BRJLIKDPSA-N 442.548 4.765 30 10 IJEE CCCN1CCC(=O)/C(=C/c2cc(Br)c(OCC)c(Br)c2)C1 169942500 YJSYRHWNEIPJHI-MDWZMJQESA-N 431.168 4.679 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccs2)c1 169989153 PPCNECYNHNGDCF-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccs2)s1 169989702 RCRUPBOQSQIHBN-SFHVURJKSA-N 442.537 4.782 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 169991391 KACUSUARVADYPC-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccncc2)c1 170015142 UORYAWWYNZZISU-XMMPIXPASA-N 428.488 4.582 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170114329 ACERIGZKIBVCQE-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)c1 170121583 LTIFUCDJUBVJGD-WNSKOXEYSA-N 433.504 4.540 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1OC 170122508 MDISZEJCBPJNOF-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1 170122582 FCVMCYAKZDRRAT-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)c(OC)c1 170140541 ADBKFXSCDJZJJK-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccs1 170160126 QUZYSAVZBJYBEK-FPTDNZKUSA-N 447.512 4.863 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)cc1C 170170726 UIXRKOFLOKHKBG-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccnc1 170188341 ZSUIUHHKFSNYNY-HXUWFJFHSA-N 434.879 4.835 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1 170223263 FUXYELPGQGLLIP-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2)cc1C(C)C 170231626 VUQNZYWQKIURAT-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3ccc(F)cc3)ccc2O1 170239358 DEKUQNGBYUUEGL-PSLXWICFSA-N 445.446 4.638 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 170248187 UXMCSYZRGVLWOF-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)cc1 170283431 MLVOBBKEZJHTKV-QHCPKHFHSA-N 429.472 4.950 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccco2)c1 170289095 FYDOIVVMCGTCKL-FQEVSTJZSA-N 439.851 4.739 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2sccc2C)c(C)c1 170316482 WCNCCTDBZCWQTH-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE C=CCOc1ccccc1-c1cc(-c2ccc(O)c(OC)c2)nc(N2CC[C@H](N(C)C)C2)c1 248091018 FOFFGLKBYXXIHZ-NRFANRHFSA-N 445.563 4.835 30 10 IJEE C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc(OCC)c1O 254398658 AEGVHIMLSMGTFD-SNSRFIGSSA-N 438.549 4.770 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2cccc(-c3ccccn3)c2)nnc1-c1ccco1 439183958 DUIYBVJYWTXXNI-UHFFFAOYSA-N 445.548 4.585 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)Cn1c(-c2scnc2C)nc2ccccc21 469108011 ZFKOJDBZTCWJDC-UHFFFAOYSA-N 430.537 4.801 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccccc3)cc2F)c1 475619995 BKNWXSSFUNRGEN-VWNXMTODSA-N 431.467 4.928 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 482376171 DWUPDUQZUIQUII-KRWDZBQOSA-N 429.345 4.874 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1cccs1 489433567 RXJLIICECQNQKF-CQSZACIVSA-N 428.608 4.812 30 10 IJEE COc1ccc(COc2cccc(F)c2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 502981801 HXHYCWRUCAYSNF-DEOSSOPVSA-N 442.487 4.613 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2cccs2)C1 508460103 AFNMRZLLEWNRTH-GFCCVEGCSA-N 437.388 4.595 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 508827886 SMPWDVVGMYFOAW-UHFFFAOYSA-N 445.970 4.589 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 531460733 AYDAHWRCKGKUOU-UHFFFAOYSA-N 427.354 4.895 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 549731781 YSOBQXGIROHDJZ-UHFFFAOYSA-N 425.536 4.801 30 10 IJEE COc1ccc(CCN(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 586127264 JBGBUJPUTBNGPS-UHFFFAOYSA-N 434.561 4.617 30 10 IJEE CCCCCCCCCCCCCCC/C=C/C(=O)NCC[N@+](C)(CCO)[C@H](C)CO 642772006 HTGPYUKKIPCACT-WREXWVKHSA-O 441.721 4.960 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@H](c2ccccc2)C1 670206309 UDFDVESVLUTCSG-QFIPXVFZSA-N 436.581 4.833 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC2(CC1)OCCO2 698483539 XRFPBRGXNPGLBX-UHFFFAOYSA-N 437.334 4.770 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 735342231 YDNQEDWTUHZVTF-UHFFFAOYSA-N 432.810 4.852 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(-c3ccccc3)o2)n(Cc2ccco2)c1C 751724139 ASVOZETYPSJBLV-UHFFFAOYSA-N 443.459 4.673 30 10 IJEE N#Cc1ccsc1N1CC[C@H](OC(=O)c2csc(-c3cccc4ccccc34)n2)C1=O 778192102 XDYHJSJCURSEKM-IBGZPJMESA-N 445.525 4.859 30 10 IJEE COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)cc1 778293385 DMEZHHAFERRPML-NRFANRHFSA-N 441.512 4.611 30 10 IJEE C=CC[C@@]1(C(=O)OCc2csc(-c3ccccn3)n2)CCCN1C(=O)OC(C)(C)C 791717051 OXJNWPCEQZNFEL-QFIPXVFZSA-N 429.542 4.594 30 10 IJEE Cc1cc(NS(=O)(=O)c2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2)no1 1083912978 VWGYZYBOBNVLNQ-UHFFFAOYSA-N 426.281 4.547 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccccc2Cl)n1)Nc1cccc2ccccc12 1084485902 YLJHGAGKDCOFEI-UHFFFAOYSA-N 436.928 4.788 30 10 IJEE Cc1ccc(-n2cc(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)nn2)cc1 1124884032 BJBXWESLRBELCA-UHFFFAOYSA-N 425.467 4.742 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1ccccc1 1125203072 TZBTYNJXZDGVRJ-NJGKLKBPSA-N 439.581 4.578 30 10 IJEE CN(C(=O)c1ccc(C#N)c(Cl)c1)c1nccc(-c2sccc2Br)n1 1130652564 AYKLJIQCCLZGHZ-UHFFFAOYSA-N 433.718 4.769 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c1 1136389292 UAFLHGYKKULGTF-UHFFFAOYSA-N 436.533 4.921 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 1136572118 OUHKMRPHTPLREK-KRWDZBQOSA-N 427.372 4.914 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 1136718012 HHVNLKZDPLQNSH-HXUWFJFHSA-N 440.298 4.920 30 10 IJEE C=CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1ccncc1 1136820347 SSVWEOHWZZVLTR-NRFANRHFSA-N 441.940 4.583 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 1154367381 VWDZUFQESIDOBN-UHFFFAOYSA-N 427.566 4.618 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1)C(=O)OC 1155466912 NKNGTMXOCGOVCG-JOCHJYFZSA-N 435.499 4.615 30 10 IJEE Cc1ccc([C@@H](CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)N2CCCC2)cc1 1186158217 DJEMYZHBWCWQAD-OAQYLSRUSA-N 439.606 4.505 30 10 IJEE C=CC[C@H](CC)NC(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 1198630401 AXCRQDIPLORUQI-HNNXBMFYSA-N 437.359 4.758 30 10 IJEE C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1221076753 HTMRNJNYUWBOQV-FQRUVTKNSA-N 426.564 4.758 30 10 IJEE COc1ccc(C2(CNC(=O)NC3(c4cccc(C#N)c4)CC3)CCCCC2)cc1OC 1221969291 AFUSNBWNQAAJAD-UHFFFAOYSA-N 433.552 4.766 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 1225673829 BULDATWLWWYSFJ-UHFFFAOYSA-N 441.881 4.963 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccc(C)cc3)cn2)ccc1OC 1265125096 GGMICIYUCCXNSK-IBGZPJMESA-N 431.492 4.802 30 10 IJEE C=C(C)[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccc(F)c(F)c1 1269598851 AALUMDCGYOAMMB-IBGZPJMESA-N 432.268 4.960 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 1269745807 SASQVHKHLDOIQX-HNNXBMFYSA-N 432.314 4.865 30 10 IJEE C=CC[C@H]1N(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CCCC1(C)C 1270801408 KLDGCOPITDRMPB-LEWJYISDSA-N 425.573 4.556 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)cc1OC 1274912172 RKECNAMSFJFQPV-UXBLZVDNSA-N 425.435 4.684 30 10 IJEE C#C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)c1ccc(Br)cc1 1275474907 SBLCCJRVXATDNH-OAHLLOKOSA-N 443.085 4.523 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)cc1F 1286400766 GHGSBQPQQBRXOG-INIZCTEOSA-N 436.531 4.531 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H](C)c1cccs1 1286500216 SSGHTJGMXPPUSZ-MRXNPFEDSA-N 442.610 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)SC 1286584094 XFQMZUTXQTUESR-KRWDZBQOSA-N 437.654 4.894 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCN(C)C(C)C)CC1 1286637310 BHECRTBEEUTLEU-IBGZPJMESA-N 432.012 4.958 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2nccs2)CC1 1286651867 NPOYGVWUDKDKMO-MRXNPFEDSA-N 427.549 4.659 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCOc2ncccc2Cl)CC1 1286659552 UGWJGAMRCHHPCW-UHFFFAOYSA-N 441.938 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286669087 ZDACXKDHFXJIKS-NRFANRHFSA-N 435.616 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286674549 RVRHVWHFHPLMGC-JOCHJYFZSA-N 444.627 4.577 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)C(=O)OCC 1287775634 DNVRFVYCWOQHRU-AWEZNQCLSA-N 446.878 4.557 30 10 IJEE C=C(C)c1cccc(NC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 1289566706 CCCQRBDMHJUKSN-UHFFFAOYSA-N 438.574 4.781 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCSC(CC)(CC)C1 1300365457 XJMLRRPTKBEWBS-NRFANRHFSA-N 440.613 4.706 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1300394848 UFKVCUVLYFETFB-QFIPXVFZSA-N 435.616 4.541 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOc1ccc(F)cc1 1300441273 IWLXVDNZVDQGHZ-UHFFFAOYSA-N 438.572 4.953 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H](SC)C(C)(C)C 1300641553 CKXHNEZGVSGFBX-OAQYLSRUSA-N 437.588 4.897 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 1300767787 GATRSVNVLJPSFE-UHFFFAOYSA-N 436.547 4.599 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)C[C@@H]1CCCO1 1300975534 WFTQAGBSVFTHHM-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1301002220 XFTUYTVXMVFYSD-BIRZXAFVSA-N 430.637 4.804 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC=CCC1)C1CC1 1301327184 NRVBITDYBNJYCW-LJQANCHMSA-N 441.620 4.904 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1301416100 BCBUAPHVMPHRQS-FPOVZHCZSA-N 432.996 4.689 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccccc2)[C@H](CO)C2CC2)n(C2CCCCC2)c1C 1307648619 AJAGWGKCLQTPGW-RUZDIDTESA-N 448.611 4.693 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@H]3c3ncccn3)c2C#N)C1 1307944128 DMQBUUIBNMRWME-LPHOPBHVSA-N 437.613 4.726 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1C(F)(F)F 1312306837 APVZYTCCTMCOHD-MSOLQXFVSA-N 444.501 4.596 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(Oc4ccccc4)c3)CC2=O)cc1Cl 1350420633 BYVUHECRRRBHKL-IBGZPJMESA-N 445.906 4.673 30 10 IJEE C/C(=C\C1CCC(C)CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1350882580 ACCWNVFYCOLFTN-IDZLEAJVSA-N 445.629 4.991 30 10 IJEE C=CCN(CC=C)C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1352303022 XESJJBYYKBJQQX-UHFFFAOYSA-N 444.457 4.635 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2C1 1358912226 LNOJRGUKLPZLNL-QFIPXVFZSA-N 449.599 4.716 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)Oc1ccccc1F 1358942513 YAKRBFGXEZCNGI-QGZVFWFLSA-N 438.572 4.952 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1359067573 SXYKJRPRSRGZDY-BKMJKUGQSA-N 447.583 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCSc1ccccc1 1359115168 NMOLPOZINWTJIK-UHFFFAOYSA-N 432.597 4.711 30 10 IJEE C=C(Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1359140639 IEQIQNRGTROGHB-ATIYNZHBSA-N 436.600 4.825 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCN2CCC)CC1 1359166148 HRRZKVHQVGPNAG-LJQANCHMSA-N 429.559 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)C[C@@H]1CC 1359188050 FMTLMRLZFLJXPZ-FPOVZHCZSA-N 437.636 4.679 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)(C)C)CC1 1359211059 QSPGTRUBNCTTRQ-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](C)C1 1359224830 DRXVJFYJYGGSIE-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)SC)C1CC1 1359252935 MBSNXSKICQJZCS-AWEZNQCLSA-N 437.407 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359268275 KMJUMICCHIDAKP-KDURUIRLSA-N 444.023 4.665 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2ccco2)cc1 1359308024 AZGUFQUHMVXDCI-LJQANCHMSA-N 429.524 4.667 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CC[C@H]1C2 1359338779 HGQQZRRAWNEJOP-STQMWFEESA-N 425.421 4.677 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1359344934 NLWQCICMUZBITE-MRXNPFEDSA-N 441.551 4.585 30 10 IJEE C#CCN(C(=O)c1cc(F)c(Cl)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1360556786 CWIBHLFXSFHRJN-QGZVFWFLSA-N 440.671 4.980 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3)CC2=O)cc1 1434887654 BCKIRSZPVQNRCP-HXUWFJFHSA-N 429.907 4.798 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 1434957533 WUSGHNVMIYHIMW-UHFFFAOYSA-N 430.316 4.732 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1 1435374916 DTNGHGVWZUYJNB-QFIPXVFZSA-N 431.923 4.799 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 1436685687 GYHHYYZUEFHAQU-XNMGPUDCSA-N 428.576 4.827 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CCC)[C@@H](O)c2ccccc2)s1 1448957310 FZSVJGWLRRUKQY-LPHOPBHVSA-N 425.019 4.857 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(C#N)CCC1 1451662257 AVTJFNYOISLDAW-XMMPIXPASA-N 443.547 4.670 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@]2(C)CC=CCC2)c1 1460814277 JISPQHZTWAIJQX-QHCPKHFHSA-N 444.984 4.950 30 10 IJEE C=CC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1 1465097365 MAIFVCRAMISEGI-MRXNPFEDSA-N 449.548 4.735 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl 1466249462 BELNRJNHGXNRTL-INIZCTEOSA-N 430.895 4.634 30 10 IJEE C=CCc1cc(CNC(=O)NCc2ccc(Br)c(C)c2)cc(OC)c1OC 1468361685 MLGSAINCZJFJNV-UHFFFAOYSA-N 433.346 4.503 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCc1c(C)noc1C)c1ccc(Br)cc1 1468451071 NFICNTVOUBWDGL-HXUWFJFHSA-N 439.309 4.737 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cc(C(F)(F)F)n(C)n1)c1ccc(C(F)(F)F)cc1 1469490856 GCDLYODHXUHSMU-HNNXBMFYSA-N 434.384 4.964 30 10 IJEE C=CCCSCCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 1469908908 LFNXSLJLDKFMEX-UHFFFAOYSA-N 433.371 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCc2cccnc21 1507545187 BTFUDLKYSFLZJI-TZIWHRDSSA-N 431.609 4.852 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccccc1Cl 1507556542 NGMZSRNZXFOWME-UHFFFAOYSA-N 444.366 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCN(C(C)C)C(C)C 1507770078 JNNDBKPUGRKTFR-RUZDIDTESA-N 425.596 4.509 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1507775044 HBDKLELCLRGOIF-INIZCTEOSA-N 425.758 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1507911450 HEMFZQQBCBEZGA-SFTDATJTSA-N 440.588 4.916 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1507915501 WKHRSLXWOJNOCG-KRWDZBQOSA-N 427.593 4.694 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H]1CCSC1 1507943523 ZMTZLAMTUGAHQP-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(COC)CC1 1507952145 NBYPTKLQPCBDFK-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507964668 DVKWQEUXJJEKMU-GOSISDBHSA-N 447.505 4.722 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1507995152 FKDYVDAHCDSKFU-CLOONOSVSA-N 441.595 4.662 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CCc1cnc2c(Cl)cnn2c1 1508006157 KHMDPUCHZCQXQV-UHFFFAOYSA-N 441.992 4.594 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(F)(F)C1 1508110083 XPRSTGIOHMHGRC-UYAOXDASSA-N 446.542 4.655 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1513200700 DNNJOJWHGKCEOJ-HYVLGVRCSA-N 436.648 4.926 30 10 IJEE COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@@H](C)Cc3ccc(C#N)cc3)c2)c1 1520996419 CHHLNXQVKHKEFT-SFHVURJKSA-N 430.504 4.863 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C(C)(C)C)cc1 1523657620 WNAADQBYIJASKZ-OAQYLSRUSA-N 435.543 4.916 30 10 IJEE C=C[C@H](CC)CC(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(C)cc1 1523811379 KARZZLYMQJPLQR-REHUZNOOSA-N 429.582 4.891 30 10 IJEE COc1cc(C#N)ccc1C(=O)N(C)Cc1cccc(OC)c1OCc1ccccc1F 1523876754 BNKFLJRPFDLBLW-UHFFFAOYSA-N 434.467 4.566 30 10 IJEE C#C[C@H](NC(=O)c1c(F)ccc(Br)c1F)c1ccc(Br)cc1 1528089347 ZDWHJKLOBIFZBD-ZDUSSCGKSA-N 429.058 4.594 30 10 IJEE C=C1CCC(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C(C)=O)C3)CC1 1538225826 QGPMROFBQSRCPQ-UHFFFAOYSA-N 436.577 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCSC1(C)C 1538984484 JSIOPNLUJQJFEO-HOCLYGCPSA-N 433.419 4.697 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(F)(F)F)CC1 1539048966 AXJCWDFFBZATLE-UHFFFAOYSA-N 436.478 4.545 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1539506522 JZHCCHUCRAGFTM-HXUWFJFHSA-N 449.624 4.644 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1occc1C 1539548310 KYLZKWPQASOZEC-RUZDIDTESA-N 434.540 4.684 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1539595948 HPGPEFMKIVCTJQ-PKOBYXMFSA-N 449.368 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](CC)C1 1539639608 AGOHIKKTIFLAGS-YDHSSHFGSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC1CCN(Cc2cccs2)CC1 1539666955 CMGPFVOLAQTSNN-JOCHJYFZSA-N 443.661 4.896 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1539684743 CPWJCWKQZXSWKN-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[S@](=O)C(C)(C)C)CC1 1539874945 RXRDPXXZOXUBGU-MYGHRHJXSA-N 448.608 4.507 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(c2nc(C)c(C)s2)CC1)c1ccccc1 1539947047 HLMWAMZTUXJNAK-OAQYLSRUSA-N 436.629 4.600 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1539963467 UXFNQJZYQAWKHJ-FQEVSTJZSA-N 427.637 4.767 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCCC2(CCOCC2)C1 1539973787 CYLIEHPZAJWKTO-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCCOC 1539985712 OOTOCODKITUIJP-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1540027147 PRISMWRTVLKEOT-UHFFFAOYSA-N 446.382 4.929 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1cccc(F)c1 1540177422 OWFDGKFRJJPCSX-STZQEDGTSA-N 442.579 4.982 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1540196236 VJAZQHGTYGMXFM-IBGZPJMESA-N 449.452 4.600 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(C=C)cc2)C1 1540887160 QYHBLWBAXQHWEB-NRFANRHFSA-N 435.959 4.661 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 1541001205 FNZKYCCSXUPKOP-UHFFFAOYSA-N 426.476 4.558 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC(F)(F)C2)cc1OC 1547260821 FMRLTTZIVIYUMP-SJORKVTESA-N 447.530 4.774 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(Br)cc2)nc2ccccc21 1559316293 AAWSPCMCFOESRI-CQSZACIVSA-N 430.371 4.954 30 10 IJEE C#CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1 1562129495 MTCSPAYHAVENCT-HXUWFJFHSA-N 448.906 4.869 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(NC(=O)C2CCC(CCCC)CC2)cc1)[C@@H]1CCCO1 1563927234 KJNVWIBBJSLETI-TXKRZNJISA-N 439.600 4.602 30 10 IJEE C=CCCCN(CC)C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1564190845 BSHUAXUQZDNPBG-QHCPKHFHSA-N 428.598 4.740 30 10 IJEE C#CCOc1ccc(CNC(=O)N2Cc3cccc(Br)c3C[C@@H]2CC)cc1 1564798422 KIPPGKGOGPNTJG-SFHVURJKSA-N 427.342 4.508 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1565846617 CBBNIJLZWLPEOR-OXJNMPFZSA-N 439.581 4.939 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C(/CC)c2ccc(C)cc2)n1 1584411969 INAFMIAGQFVYPU-PTNGSMBKSA-N 425.583 4.541 30 10 IJEE C=C[C@H](CC)CC(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1585080759 ZSSPBWKOMNORGB-AQNXPRMDSA-N 428.573 4.745 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 1586031585 MYOKPHNIYHUCTI-PMERELPUSA-N 432.586 4.653 30 10 IJEE C=CCOc1ccc(C(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc1OC 1586050981 KIWBTKRMGSMSFP-UHFFFAOYSA-N 449.526 4.810 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1587754771 LXKIREVBEQQYDZ-DEOSSOPVSA-N 442.611 4.553 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCN(C(C)C)CC1 1587792994 FEAJXHPCGZKOPL-UHFFFAOYSA-N 446.064 4.948 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1587818448 WKKAIBCOUXNLDF-QUCCMNQESA-N 442.007 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1589142474 IIMCWGNWOAFBDV-AXHZCLLHSA-N 441.620 4.573 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCc1csc(CC)n1 1589242444 ALOMHHPDUSAGMX-RUZDIDTESA-N 449.624 4.728 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1593757423 DHOZTYVQKHRYLT-HXUWFJFHSA-N 443.661 4.548 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCCN2CCC[C@H](C)C2)CC1 1594133970 ICOUVGSELQBSRC-NRFANRHFSA-N 441.595 4.665 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CC=CCC1)c1ccccc1 1594534922 OVBNQIAHLJMITK-JTHBVZDNSA-N 433.600 4.667 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1594760844 ROQITOWQIWSBPI-FQEVSTJZSA-N 427.499 4.567 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCCO1 1595244072 QUIJLGGAHVCZAC-NRFANRHFSA-N 426.948 4.996 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCC(C)C)C1 1595689854 XUALFICLSYNSAA-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCSCC(C)C)C1 1595700026 KBJGCILNFLNSCW-FQEVSTJZSA-N 437.613 4.664 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1 1595964172 CZQHDMCBGGCNCV-JOCHJYFZSA-N 429.549 4.749 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 1597296176 APFPGNGWKPXEGT-OALUTQOASA-N 442.519 4.920 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCOC[C@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1611110489 PYHPDDUPCIUNOG-HSALFYBXSA-N 428.573 4.745 30 10 IJEE N#Cc1cc2c(n(CSCc3ccc(Cl)cc3)c1=O)CCN(Cc1ccccc1)C2 1614739415 FPOQJTUSLWNYFD-UHFFFAOYSA-N 435.980 4.823 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(I)cc1Cl)c1ccccc1 1616818056 OTRKHSOIFQASTP-QFIPXVFZSA-N 445.709 4.798 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 1618356545 ARUGIDXNMVIMPA-AWEZNQCLSA-N 436.858 4.911 30 10 IJEE C=CC[C@@H]1CCN(C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)C1 1618573311 LXNFIMZZPDSNJL-SNVBAGLBSA-N 428.195 4.864 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@H]1C 1619460253 FMXZERZITVVTCB-IEBWSBKVSA-N 425.602 4.755 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(OC)[C@H](C)CC)ccc1Cl 1622601460 WMYMIBYQODDNSR-MRXNPFEDSA-N 436.961 4.523 30 10 IJEE O=C(N[C@@H](CCO)c1ccccc1F)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1623899907 GUYUZKHVTOHXPY-HOTGVXAUSA-N 438.343 4.871 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1623976689 STSGKCALWAGLLD-UHFFFAOYSA-N 426.582 4.550 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3C[C@@H](C(=O)OC(C)(C)C)c4ccccc43)cc2n1 1627664106 CZWAGAWYUQBCNV-IFMALSPDSA-N 432.524 4.914 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 1629397769 PMXZIYQJOHCHQT-UZLBHIALSA-N 429.948 4.962 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 1629500563 UKUZZNVBZOGWJM-GOSISDBHSA-N 438.952 4.527 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1)c1ccccc1 1631035611 MLRYNFDRZGQXQT-RTWAWAEBSA-N 425.598 4.808 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 1631236109 WEDNSLQXTBAXJD-HSZRJFAPSA-N 433.552 4.546 30 10 IJEE C=CCC[C@@H](CO)NC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1632027860 INVXSQJGMJINEQ-BBRMVZONSA-N 438.391 4.568 30 10 IJEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)C1 1636348775 CQKWSCHRPIPECD-QFBILLFUSA-N 428.989 4.588 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1638407389 NQTKAPPBYZVJRU-UHFFFAOYSA-N 439.357 4.575 30 10 IJEE CC(C)n1ncc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1-c1ccccc1 1639957465 BZNPAYIWXCGIGM-HSZRJFAPSA-N 447.970 4.807 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(CC)CC(=C)C)nc2sc3c(c2c1=O)CCCCC3 1640568444 KDNTYYGLRMKYJN-INIZCTEOSA-N 445.654 4.818 30 10 IJEE CCCN1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2cc(F)ccc21 1642967183 GVRZGUXKSSUDRR-KRWDZBQOSA-N 426.561 4.895 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1646216485 PCYPLFLIGHDXQR-QFIPXVFZSA-N 440.609 4.846 30 10 IJEE C=CCn1c(SCc2ncsc2Br)nc2sc(C)c(C)c2c1=O 1656058548 YAWYLWRYXBURDP-UHFFFAOYSA-N 428.402 4.772 30 10 IJEE COCCN(CC(=O)Nc1ccc(Oc2cccc(C)c2)cc1)Cc1ccc(C#N)cc1 1657180533 BODCGXTUHCKNEY-UHFFFAOYSA-N 429.520 4.746 30 10 IJEE C=CCCN(OCc1ccccc1)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1658316633 HJVAOLRVMRMVGR-MRXNPFEDSA-N 441.553 4.541 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 1660895459 GADYEPBDNIGQBT-QHCPKHFHSA-N 427.591 4.791 30 10 IJEE CCOC(=O)c1c(NC(=O)NCC(c2ccccc2)c2ccccc2)c(C#N)cn1CC 1671036495 CRFALYCBXCSEOA-UHFFFAOYSA-N 430.508 4.510 30 10 IJEE CS(=O)(=O)c1cccc([C@@H](NC(=O)Nc2sccc2C#N)c2ccc(Cl)cc2)c1 1671449189 BFBWOTOFCJOPSX-SFHVURJKSA-N 445.953 4.588 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CCC[C@H]3c3ccccc3)CC2)c1 1673084798 ARYWXJBTPYNZBT-VWNXMTODSA-N 430.552 4.502 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1 1674020806 QBMGRPLDMSNCDP-HXUWFJFHSA-N 445.991 4.837 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CCN(CC)CC2CC2)CC1)c1ccc(Br)cc1 1674025907 OGFJBPGWMUYZDO-JOCHJYFZSA-N 446.433 4.667 30 10 IJEE C#CCN(C(=O)NCc1ccc(OC)c(Br)c1)[C@H]1CCCc2ccccc21 1678213755 SGXMNLLFLFVUQN-FQEVSTJZSA-N 427.342 4.680 30 10 IJEE CCCc1c(NC(=O)Nc2ccc(Br)c(C#N)n2)cnn1-c1cccc(C)c1 1679661087 BNXRRKWDTVMLGL-UHFFFAOYSA-N 439.317 4.806 30 10 IJEE C#C[C@H](NC(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 1686919523 HGXGBVNJTDWEPA-SFTDATJTSA-N 447.348 4.664 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCCCC1 1690181240 QYUJSWBGUZTOKW-UHFFFAOYSA-N 447.048 4.998 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1690201343 GPLPQLAQLGBIFC-LGVUCKNBSA-N 449.643 4.702 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1690225515 BEVSDQBXTLUBNF-JKSUJKDBSA-N 441.377 4.522 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)C1CC1 1690304433 BMYVMFCEEXGYHJ-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCCC(C)(C)C1 1690304934 RLPAZOAHMDPSGI-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCCCCn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@@]1(OCC)CCOC1 1690467710 GXXKOAYAJBMKMT-HSZRJFAPSA-N 430.980 4.503 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690475241 KKDLGJVLNJBLFU-IRXDYDNUSA-N 432.410 4.593 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1C[C@H]1C 1690604027 MTFVYLWZBPPFTE-WOJBJXKFSA-N 433.556 4.631 30 10 IJEE CCc1cnc(CCn2c([C@@H](CC)c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)s1 1694551591 CPQNDKVVTKNWJD-CVDCTZTESA-N 438.576 4.524 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705520720 DHFIZYNFCIEBBC-IRLDBZIGSA-N 438.616 4.962 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1c1cnn(C)c1 1705527598 DFOWCBZAWMODMH-IBGZPJMESA-N 429.355 4.740 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(Br)cs1 1705542763 NPBWCOAGZSFBLT-GOSISDBHSA-N 429.387 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCCN1CCCC1 1705608501 UMGZRSKNFUVELJ-UHFFFAOYSA-N 434.415 4.978 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)CC(C)(C)C1 1705653165 ANOQZCIKFIHKEQ-ROUUACIJSA-N 430.593 4.796 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705733742 XSCWDLWYUZXRKM-OAHLLOKOSA-N 428.886 4.970 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705737677 XSYMHVRQVPPKQT-JOCHJYFZSA-N 445.696 4.940 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1705740926 BOKHVAUKCZQSPF-LMNJBCLMSA-N 439.604 4.854 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 1705916884 SFSUYBRAWLYNTI-PBHICJAKSA-N 449.386 4.576 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H](C)C#N)C1 1706072011 BFWCKHBEYBNFQL-ROUUACIJSA-N 429.012 4.705 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1722313175 QSECIYVXRKRBSP-BJKOFHAPSA-N 429.568 4.748 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722326442 GASQIBAROQGREC-AZUAARDMSA-N 442.991 4.616 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCCCSC 1722376040 USRUEZHKJXKJCI-UHFFFAOYSA-N 445.430 4.622 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1Cc1cnn(CC(C)C)c1C 1722417844 VYVNDKCAYDNSKM-LJQANCHMSA-N 436.579 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nccs1 1722476541 ZNRDUKVJOJZVIG-XMMPIXPASA-N 435.597 4.786 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)CC1CCC1 1722496944 PGLKTYHYXMNFRA-NFBKMPQASA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1722503244 RVPMXUDCVXNJMU-UHFFFAOYSA-N 438.576 4.522 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722548248 XWPGLJRWGGLQAM-MAUKXSAKSA-N 427.763 4.726 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@]2(CCOC2)C1 1722601891 LZZAFPNFMJWTIU-OAQYLSRUSA-N 449.368 4.820 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1722686917 UGBYOHSQOHWGBV-QGZVFWFLSA-N 428.005 4.653 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(COC(C)(C)C)c2)C1 1722710343 HHOAJHSQRXFUHB-SIKLNZKXSA-N 426.605 4.936 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1)SC 1727142863 CZSCWQIVKCROAM-NHCUHLMSSA-N 439.629 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Sc1ccccc1 1740563893 XOTPMTWNUSKMRZ-FMWKFLBASA-N 426.630 4.835 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)OC1CCCC1 1740565803 IIDDNCMCXPSKEQ-UHFFFAOYSA-N 435.341 4.961 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](CCC)OC 1740647715 YYJWTMVBSUSDPD-XMMPIXPASA-N 443.595 4.631 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740661471 CEKHHTJYAMMVDG-ZYLNGJIFSA-N 441.595 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740752348 VTEIYYWFMGGVIW-QMMLZNLJSA-N 430.980 4.614 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cccs2)CC1 1740787963 MVDOSNYEFQGIHK-UHFFFAOYSA-N 444.004 4.579 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCOC2(CCCCC2)C1 1740788392 UPLPXVYBIQEPDH-UHFFFAOYSA-N 430.980 4.731 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1740803006 FWJYVXVVMHTMIY-QGZVFWFLSA-N 444.004 4.991 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1740835437 SCSABIKLDMRFSR-XMMPIXPASA-N 432.616 4.730 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CC(=O)NC)CC1 1740843366 FQBYOAJNZZEKFS-JOCHJYFZSA-N 437.632 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H]1C 1740844229 FYNAOTWHUZYJHW-IAGOWNOFSA-N 428.577 4.808 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1C[C@H](c2ccccc2C)C1 1740924820 APWGKFBOHNOVKC-MXVIHJGJSA-N 428.540 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCn2ccnc2C1 1740927251 BNDAWELIPOSCDX-MRXNPFEDSA-N 443.382 4.889 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)CC1)C(C)C 1740927845 XUXVGJBQYDPIEE-OAQYLSRUSA-N 443.039 4.928 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@H]1C(C)C 1740933646 AKAOTVHZRVCPJR-YUMYIRISSA-N 430.637 4.826 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(SC)cc1 1748689709 GYJUKSVNHNNYCE-IOMROCGXSA-N 426.630 4.619 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749136505 OGAAFGXFMQLSTQ-IIOACPQZSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OC1CCCC1 1749146515 GNOYGUVFFPGKQX-UHFFFAOYSA-N 442.567 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1Cc1cc(C(C)(C)C)no1 1749171260 TVFSOGRNYJSBAZ-UHFFFAOYSA-N 439.560 4.602 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C)CC1 1749213915 RUYZWTZZSJMCON-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749271867 DOBOIWKHUYCTTN-QGZVFWFLSA-N 445.995 4.705 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(C)C(C)=O)CC1 1749356868 ASOBPJOIRLIIQI-UHFFFAOYSA-N 435.572 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCC(C)(C)C)CC1 1749371121 YSLLLRPCRILJSB-UHFFFAOYSA-N 444.693 4.794 30 10 IJEE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749391408 OAOYNNTVFHEHHW-DVECYGJZSA-N 433.600 4.916 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](OC)C(C)C)C1 1749700938 OKFGYBNSWVGHGV-VQIMIIECSA-N 439.387 4.704 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCN(C)C(C)C 1760196151 LKJYSPRBNAZPPL-UHFFFAOYSA-N 440.016 4.616 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)Cc1cc(Cl)ccc1OC 1760308489 GVRJTEMQHGRBDX-UHFFFAOYSA-N 427.774 4.684 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C(C)C)N1CCCC1 1760334025 NODZBUHAFWSFPL-XMMPIXPASA-N 447.631 4.654 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCCN2CCCCC2)CC1 1760385494 RWLFUQPINXGMMQ-UHFFFAOYSA-N 438.576 4.666 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCN(C(C)C)C(C)C)CC1 1760391234 VSCOXCQGECXSBG-UHFFFAOYSA-N 425.621 4.543 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCC[C@H](C)C2)CC1 1760404946 KPVLRCMASYTFEA-FQEVSTJZSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760412183 WVVYNGNCVDIQEP-PKOBYXMFSA-N 431.625 4.887 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(Cl)nc1 1760458066 RJXHXVNJSWNTJO-UHFFFAOYSA-N 432.753 4.735 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)CCCS1 1760479558 SYNYTYLHWXOLLA-RUZDIDTESA-N 444.608 4.999 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)cc1F 1760487195 LRECSQNOAWFCTP-SFHVURJKSA-N 442.560 4.622 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1CC1CCCC1 1760497210 WEXFZSUEFFWSKC-UHFFFAOYSA-N 431.378 4.988 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCCCCC[C@H]21 1760510504 ASTUIZFGYWPTEC-VAMGGRTRSA-N 429.609 4.738 30 10 IJEE CO[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(F)cc1 1769674084 FTLCJAGBMOUYET-QPPBQGQZSA-N 425.552 4.668 30 10 IJEE CC(=O)OCCn1nc(C(=O)Nc2ccc(C#N)cc2)cc1-c1ccc(Cl)cc1Cl 1859407671 WHIIQVNHDHUVMI-UHFFFAOYSA-N 443.290 4.544 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2cc3cc(Cl)cc(Br)c3o2)c1C#N 1859740369 FICMCCQIBINOHM-UHFFFAOYSA-N 437.633 4.661 30 10 IJEE COc1ccc2c(c1)OC1(CCN(c3nccc(-c4ccccc4)c3C#N)CC1)CC2=O 1859823477 GCDMZPIPDBMSEN-UHFFFAOYSA-N 425.488 4.633 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c1 1860603663 HLVAUXGRLQLOPL-UHFFFAOYSA-N 435.833 4.721 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862417709 YCLROAPMNZUVNQ-LJQANCHMSA-N 429.806 4.990 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862479236 BOHXJBGGCOHDNF-HSZRJFAPSA-N 443.547 4.837 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(Br)c2)cc1 1862488123 RIDLOUMXEUYIPG-LJQANCHMSA-N 428.326 4.992 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Cl)c2)cc1 1862536087 QJBRYPNCMAUZKF-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862546831 GWBIBDKSKYPFAG-QRQCRPRQSA-N 434.492 4.850 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862583344 YTHXZKOGAWQDJV-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)cc1 1862735402 JRDFAEXYOYZBLY-OYHNWAKOSA-N 444.443 4.640 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862805523 YACVXNGHZCJYFR-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE CSc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862946208 BTPKYSYRJPMQLB-UHFFFAOYSA-N 447.466 4.955 30 10 IJEE COc1ccc(C2=C(Nc3cccc(SC)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961554 FBVQKMUQUPRCSW-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863074962 PLRXITKESUYJSS-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(CCC2=CCCCC2)C1=O 1863436284 BTNSEHKJYXGIEW-UHFFFAOYSA-N 427.504 4.649 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccc(CC)cc2)n(-c2ccc(C)cc2)n1 1870001236 VGWJERDELPWEGI-UHFFFAOYSA-N 429.568 4.888 30 10 IJEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CSc1ccc(Cl)cc1 1870279057 SNLJJWDMOMGJAF-UHFFFAOYSA-N 447.000 4.808 30 10 IJEE CCn1cc(OCc2c(C)noc2C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870302519 JHFWZAUCSDGXAG-UHFFFAOYSA-N 438.553 4.536 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1Cc1ccc(OC)cc1 1870693077 FWTPSNKESQWZAU-UHFFFAOYSA-N 444.575 4.701 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc3ccccc23)cn1CCC 1870697685 PBNUFCPPVCNWJY-UHFFFAOYSA-N 445.563 4.603 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2cccc(Cl)c2C)cc1=O 1871006670 QCZIINDBPGSABU-UHFFFAOYSA-N 436.939 4.686 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871010316 IHWBWJLQNZDYCV-UHFFFAOYSA-N 443.330 4.836 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1cc(C)cc(C)c1 1871015384 DJCVZYBCGXGOBE-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCO)c1C 1871253468 BDZKCHDSZJYAIT-UHFFFAOYSA-N 445.563 4.691 30 10 IJEE CCCCCCCCCCNC(=O)c1nn(C)c(NC(=O)c2ccccc2OC)c1F 1871323476 OLZPMYUXSAMKBM-UHFFFAOYSA-N 432.540 4.691 30 10 IJEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)O/C(=C\c3ccncc3)C4=O)C2)c1 1871355377 IEIOIROYRQBWNC-CFRMEGHHSA-N 442.515 4.854 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871446123 YQIXJOHXKRXZHE-UCQKPKSFSA-N 449.503 4.544 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871462173 LVRVUCMPXJVMFE-STZFKDTASA-N 436.485 4.674 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871823178 DMXSURWWZYXDIN-HSZRJFAPSA-N 428.598 4.932 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871840135 FZIXCKZFVGKVEZ-QFIPXVFZSA-N 432.561 4.933 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872033872 QWUYGALLCARSHX-JOCHJYFZSA-N 444.597 4.605 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 1872055957 HFTOJQPVZIDXNB-OAQYLSRUSA-N 436.524 4.503 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872227498 XSVOQIOVXDXOSM-JOCHJYFZSA-N 428.598 4.887 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872231100 OGMQGNWARIWBOS-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(NCCC(C)C)ncnc21 1873610955 GIRLJMPZAIPLKM-UHFFFAOYSA-N 427.936 4.990 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874248874 WXXKDYCDTHBGGV-PXLXIMEGSA-N 425.514 4.501 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874252038 CDDASZUHDSQDRT-PXLXIMEGSA-N 425.514 4.501 30 10 IJEE Oc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)c(O)c1 1874355759 ZWZNQKHSZVDAGX-AFUMVMLFSA-N 446.532 4.581 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874386021 UTZQMFBTTJBEGH-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc(F)c1 1874494824 GRLPSRCIGAVJSO-AFUMVMLFSA-N 437.544 4.860 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874504187 KNEXSVBGRFLENM-AFUMVMLFSA-N 432.553 4.633 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1874620595 JELYIOFZPZECGG-XYOKQWHBSA-N 429.472 4.680 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccco2)cc1 1874633694 QCWKAJZDRSRSRZ-JXMROGBWSA-N 439.895 4.841 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccccc1F 1874706483 KLMQGBPBJYIKHY-RMKNXTFCSA-N 434.419 4.721 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1cccs1 1875116710 OOMJDFLPPXGFGM-BJMVGYQFSA-N 439.445 4.789 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)COC 1875117043 GFPUUDPVBVIZKH-MDZDMXLPSA-N 445.309 4.634 30 10 IJEE CN(CCc1ccc(F)cc1F)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 1890526807 TUZBATMDVFPXRA-UHFFFAOYSA-N 447.347 4.866 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ncccc1C#N 1891206465 VESWJKNKYRSIPB-UHFFFAOYSA-N 428.511 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)CCCCNC(=O)OC(C)(C)C 1922085657 KCDKDWXMZSGHLW-RCZVLFRGSA-N 434.621 4.574 30 10 IJEE N#Cc1cc(Br)cc(N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c1 2043997056 FZWOIKJLUYWJLZ-FQEVSTJZSA-N 440.341 4.924 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)CC1CCN(C(=O)OC(C)(C)C)CC1 2045604047 RJAOJZQMGLLDSO-BJKOFHAPSA-N 446.632 4.526 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(O)c1 2079031296 ITFRMVQQWYIVKZ-MRXNPFEDSA-N 435.309 4.670 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1F 2079140932 UZZKIVZUCYINOS-MRXNPFEDSA-N 435.284 4.858 30 10 IJEE O=C(O)c1nn(Cc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079146282 XGEOHLRQHACFLR-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE Cc1cc(Cn2nc(/C=N/O)c(Br)c2C(F)(F)F)cc(C(F)(F)F)c1 2079229369 HETUINGVIGZATO-RREIPUBJSA-N 430.146 4.848 30 10 IJEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](CC)c2ccc(C(F)(F)F)c(F)c2)c1N 2080051957 GWRYYGHKVICCSZ-LLVKDONJSA-N 427.320 4.818 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)c(C#N)cc2F)C(C)(C)C1 2118194231 JMERKRKTUYUQEY-ZDUSSCGKSA-N 426.330 4.732 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1ccc(Br)cc1C#N 2174566085 SUIXRAKWQBENHU-IBGZPJMESA-N 436.394 4.788 30 10 IJEE CC(C)(C)OC(=O)NCC1(CC(=O)Nc2ccc(C#N)cc2Br)CCCC1 2181106446 WHLXAJKFPOYZDV-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE C=CC[C@@H](CO)CNc1sc(Br)c(Br)c1Br 2212201256 VEMIOURNOGFNRL-ZCFIWIBFSA-N 433.991 4.632 30 10 IJEE C[C@H]1CN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2219972819 VTNIGALGIKQXKJ-XUVXKRRUSA-N 440.462 4.531 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@H](N)C#Cc2ccccc2Br)s1 2227491929 YFAUZENMSARJPK-CQSZACIVSA-N 436.375 4.564 30 10 IJEE CC(C)(C)OC(=O)N(CCCO)[C@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228089601 UBZFVDAMJUKOJS-CQSZACIVSA-N 437.256 4.652 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1ccc(C#N)c(Br)c1F 2234598601 GYYADVKWSAWUMR-LBPRGKRZSA-N 448.283 4.907 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@H](O)C#Cc2ccccc2Br)c1 2235729613 JHQNBVGFHUHUJG-HXUWFJFHSA-N 430.342 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(O)C#Cc2ccccc2Br)C1 2235738765 CMKZOOTUOXBZKC-SVMVAKDDSA-N 434.374 4.589 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](O)C#Cc1ccccc1Br 2235740372 OFXSOAQLYFMYLS-BJLQDIEVSA-N 436.390 4.691 30 10 IJEE CC1(C)OB(c2csc(C(=O)N(CCC(F)(F)F)Cc3ccccc3)c2)OC1(C)C 2247845053 LMYYBGVZGXEKOA-UHFFFAOYSA-N 439.308 4.642 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2267565676 QVDFYRIBGYWWLL-ZFPSYYEBSA-N 439.405 4.701 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2281454664 HBGYIXYIHHBEMB-MJGOQNOKSA-N 439.394 4.805 30 10 IJEE COCCN1C(=O)C(=Cc2cc(Cl)c(OC)c(OC)c2)SC1=Nc1ccccc1 2294137648 UCQDLXHUUUKMCC-UHFFFAOYSA-N 432.929 4.608 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296218857 IYRSHJVNISDZFY-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@@H](N)C#Cc2cccc(Br)c2)C1 2296279804 SMYNQCMKZHWCJQ-YZGWKJHDSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(CCF)CCCN1C(=O)OC(C)(C)C 2296305859 ZIVGSHGSVWVVGG-NQIIRXRSSA-N 439.369 4.518 30 10 IJEE CCN(CC)CCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 2296931485 PZXHRQKXKSZXBQ-DEOSSOPVSA-N 434.580 4.964 30 10 IJEE O[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319049100 YUFBSRGANKLFCN-SSUZURRFSA-N 426.512 4.774 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 2322415909 IVDMECZEIMLPIH-UHFFFAOYSA-N 429.501 4.901 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)cc1OC 2322864062 YRYVZTFQRMSZTI-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE COc1cc(C=NNc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323306567 ATRWWLRLDBZZAG-UHFFFAOYSA-N 431.452 4.813 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C)cc(C)c2C1=O 2325713886 HZQGCEGPCIIUBU-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325744840 VNYCVAIBHMUDIY-UHFFFAOYSA-N 448.446 4.751 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326532891 LAHCEBARNHPIBA-UHFFFAOYSA-N 443.916 4.887 30 10 IJEE FC1(F)C[C@@]1(CS)COCc1cc(I)ccc1Br 2326919822 RIBVRUJVEGPJAC-NSHDSACASA-N 449.098 4.526 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCO)n1N=Cc1cccc2ccccc12 2327133294 WPPPEPVLHSQMPL-UHFFFAOYSA-N 446.576 4.718 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2328074860 RUANXGYJTCKQQL-UHFFFAOYSA-N 426.929 4.575 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1O 2329741101 AQTFMBWYLVRNLC-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccco1 2330574688 HPOQYOMPQHKNKE-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc(F)c1 2330684709 LDZBGNVPVWUEMZ-UHFFFAOYSA-N 439.560 4.707 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OC)c2)c1 2331394492 NCGRNTWDRCZWOH-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1F 2331457784 HNGIRTZGEXUBPM-UHFFFAOYSA-N 427.409 4.919 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331470105 IFHWXMWTPCAMPB-UHFFFAOYSA-N 443.400 4.957 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2365106026 ZTHCMDACKZHOGF-NYADBGEESA-N 445.416 4.685 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CC[C@]4(CCN(Cc5ccccc5)C4)C3)nc2)OC1(C)C 2365126802 XUSIIANDOIJFSH-RHHPEKOXSA-N 445.416 4.829 30 10 IJEE Cc1cc(CNC[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369693926 ITQUNHUYRIANQM-XMMPIXPASA-N 448.460 4.685 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCCOc3ccc(OC)cc3)cc2)SC1=S 2977401 TWFIRWOFMHDFLR-HMMYKYKNSA-N 427.547 4.540 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CCC3)cc1 9861157 MYSZJPWMZSMNQU-RUZDIDTESA-N 444.579 4.843 30 10 IJEE O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)C1CCCCC1 13306400 SSLDLPKUMWLUOM-NMWGTECJSA-N 445.304 4.600 30 10 IJEE C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 15183659 HARURNSZPGXQFF-UHFFFAOYSA-N 443.528 4.572 30 10 IJEE CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2Cc1ccccn1 23460361 HCHLIODPOSNKIR-UHFFFAOYSA-N 428.517 4.820 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 33401215 HHYJFDVMDIHQTN-PIQFRXENSA-N 441.314 4.713 30 10 IJEE N#Cc1ccccc1CN1CCCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)C1=O 34734354 LPDMVUGGYZBNFZ-UHFFFAOYSA-N 442.494 4.711 30 10 IJEE CCOc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 36629393 NNAGXBMNICKXNW-UHFFFAOYSA-N 447.560 4.594 30 10 IJEE O=C1/C(=C/c2cccs2)Oc2c1ccc(O)c2CN1CCN(c2ccc(F)cc2)CC1 41585581 FCOCZMQCBUTOIN-HMAPJEAMSA-N 436.508 4.531 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)/C=C\c2ccco2)[C@H]1c1ccc(C(C)C)cc1 111831879 SBESJSNJMXDSTF-QDGLUTFLSA-N 436.552 4.723 30 10 IJEE CCOc1cc(/C=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)ccc1OC(C)C 169894941 KVZSDRARNJSFGW-CFRMEGHHSA-N 426.904 4.518 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1 169994926 ZAJJGTXUQDTPFU-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170055211 NBFPGFUDCPVTCY-JOCHJYFZSA-N 446.434 4.555 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2F)cc1 170071426 WZAAXVKIJZOUKY-HSZRJFAPSA-N 442.446 4.879 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)cc1 170085841 ZKRLVGHTKWGRCA-HSZRJFAPSA-N 430.504 4.708 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)c(C)c1 170098027 JJBKIRPZUGGXIJ-FQEVSTJZSA-N 446.484 4.989 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)c1 170121571 CBUNYVVMLMNPGS-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC)c(OCC)c1 170127703 PWMWFFWTYNTBLE-NRFANRHFSA-N 427.472 4.530 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3cccs3)ccc2O1 170155937 AWULCPQSQUVGCN-ZSEKCTLFSA-N 435.476 4.994 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccccn1 170180389 STAAWURQHOOJJJ-KRWDZBQOSA-N 435.307 4.775 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)ccc1OCC(C)C 170182185 GBBUBOJHJJHOIR-HSZRJFAPSA-N 434.536 4.946 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccnc1 170185519 STGOGAZSFBPDDF-QFIPXVFZSA-N 428.488 4.798 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1 170230766 FPQJXMGEJXEORH-QHCPKHFHSA-N 428.488 4.647 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(O)c2)cc1 170259658 IXIAPBWKXAGQOZ-VOIUYBSRSA-N 441.483 4.807 30 10 IJEE CCCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1ccc2c(c1)OCO2 254828389 LKLJQSBMWHRGGK-UHFFFAOYSA-N 439.537 4.546 30 10 IJEE N#Cc1cnc2c(F)cc(F)cc2c1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 488184604 SINFCJLTQRRXEC-FQEVSTJZSA-N 438.865 4.990 30 10 IJEE C=CCn1c(SCc2nsc(N(C)C)n2)nc2sc(-c3ccccc3)cc2c1=O 492130423 MPPGJNYWJXXRNL-UHFFFAOYSA-N 441.607 4.521 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 508847753 WFLDSLHBTVCNIT-UHFFFAOYSA-N 441.579 4.505 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1Br 526808322 LHENUNUBRBJCRK-NHDPSOOVSA-N 431.359 4.841 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)c(OCC)c1 526825500 WYGQPQZEJHLBAP-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=CCN(C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C)C1CC1 539035874 UFPSKCSXUCTQQQ-UHFFFAOYSA-N 439.606 4.993 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 543942798 DNXVNVXRJAPZCB-JTHBVZDNSA-N 442.485 4.509 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 555255177 FMJNKFMYWSUINU-UHFFFAOYSA-N 435.616 4.749 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 733196424 BBJPVEVGHKABHX-LJQANCHMSA-N 443.931 4.771 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 745229248 ILYAJNSMYQNALB-FRFSOERESA-N 430.476 4.502 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 749911278 NZVADFVUOJJDHY-DEOSSOPVSA-N 436.512 4.640 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1cccs1 768414402 GNKDOYJUQMAIIG-MRXNPFEDSA-N 439.610 4.912 30 10 IJEE C=CCc1cc(OCC)cc(CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1O 808240646 BEYUJVAVLLGQNI-QGZVFWFLSA-N 425.451 4.734 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1 812353139 HAJKAPSODOYNDN-GOSISDBHSA-N 426.925 4.514 30 10 IJEE CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc(N2CCOCC2)c1 915050860 FMIJDJUCBZJWCV-UHFFFAOYSA-N 438.535 4.607 30 10 IJEE C=CCNC(=S)/C(=C(/O)c1ccc(NC(C)=O)c(SC)c1)[n+]1ccc(CCC)cc1 917606788 DSWZTVXRSPAOPF-UHFFFAOYSA-O 442.630 4.594 30 10 IJEE Cc1cc(C)n(N=Cc2ccccc2OCc2cccc(Br)c2)c(=O)c1C#N 1084568831 BQNRGERBFJXPNB-UHFFFAOYSA-N 436.309 4.561 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCC2(c3ccccc3Br)CC2)cc1OC 1126446848 YCIGQTZVYAPICV-PKNBQFBNSA-N 442.353 4.884 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)OC(C)(C)C 1127128990 DHYUMGDKXYIAOC-FQEVSTJZSA-N 426.488 4.976 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1131105543 KHOSFMHBPXDFHF-HLIPFELVSA-N 439.021 4.625 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCC1 1136426921 SVVVHAQHVRWBIP-QFIPXVFZSA-N 449.938 4.599 30 10 IJEE Cc1cccc(COc2c(C)cc(CN(C)C(=O)c3nc(O)c(C#N)cc3C)cc2C)c1 1136779550 XMVNXEFBOXVABS-UHFFFAOYSA-N 429.520 4.744 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)s1 1137724407 HSCXZENLYZYFHO-WBMJQRKESA-N 428.982 4.606 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C(=O)OCC 1140929241 DPQPAJGMMMJFRJ-OAHLLOKOSA-N 427.444 4.941 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(SCc3ccc(C)cc3)n[nH]2)cc1OC 1180844021 RYJADZFHHOUTNK-BENRWUELSA-N 436.537 4.631 30 10 IJEE COc1ccc2c(c1)CN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](c1ccccc1)C2 1192157246 GMRNXSXYFAGMLX-QHCPKHFHSA-N 431.561 4.983 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1193346840 YUPZWSKSWCGBSO-OXJNMPFZSA-N 438.515 4.744 30 10 IJEE CCOC(=O)c1c(NC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)c(C#N)cn1CC 1206508260 BYYPDBYMXOKEBS-UHFFFAOYSA-N 442.825 4.550 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 1216741878 CQOILGIVRNXZMZ-UHFFFAOYSA-N 449.551 4.916 30 10 IJEE C=CCC[C@H](NC(=O)NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1222934268 VDEKNXJQBVQNGQ-KRWDZBQOSA-N 427.467 4.631 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](C3CC3)C2)c1 1266303646 RHWOMWMAGYIGAA-IBGZPJMESA-N 444.984 4.593 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccccn2)CC1 1286315455 AEXCPSILFVZPNY-UHFFFAOYSA-N 442.611 4.768 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCOc1ccc(Cl)cn1 1286527574 DRGZMIFFESIZQT-RUZDIDTESA-N 449.986 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1286546208 HILKPCBRIBBLBI-JLMWRMLUSA-N 439.560 4.850 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1286584321 HBUCPKFOVQLMRM-ZWKOTPCHSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCCC2(C)C)CC1 1286656221 RFFKURGWDCUNSY-XMMPIXPASA-N 445.007 4.951 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cnn(CC(C)C)c1C)C1CC1 1286735666 JAWSAZONLIIMFL-UHFFFAOYSA-N 440.542 4.511 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CC[S@](=O)C(C)(C)C 1286747154 KEACUZCKPXPYOZ-HKBQPEDESA-N 444.576 4.725 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@@H](OC)C(C)(C)C)C1 1286802989 FRWXPJSYNHMSDI-FCHUYYIVSA-N 438.616 4.591 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1286831237 WKDHPBKOZGTQDY-OFNKIYASSA-N 439.673 4.954 30 10 IJEE C#CC[C@H](COC)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1287423622 KQTFYZNOXLNJLS-CUXKYVRBSA-N 445.625 4.551 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1300277075 WJGVPMPHQMIXFT-OBJOEFQTSA-N 444.299 4.787 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1300770307 SHEIVCFOCPTBBM-WWNPGLIZSA-N 438.641 4.855 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCc2nc(C)cs2)CC1 1301087949 ZQGQMSWFIDGSGY-UHFFFAOYSA-N 425.577 4.952 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)c2ccccn2)CC1 1301114935 XWMBIDWZDIABBW-UHFFFAOYSA-N 447.583 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Cl)ccc1OC 1301146288 ZBCWFNGBXJTQBN-UHFFFAOYSA-N 428.968 4.579 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1301176723 JFPAASIMAFAUBG-HXUWFJFHSA-N 432.341 4.814 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccco1)Cc1ccco1 1301434490 WLKPAVDTNKUYPE-UHFFFAOYSA-N 442.317 4.625 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)c2cccc(OC)c2)C1 1301542169 KUMZMERLGOHNRG-NRFANRHFSA-N 436.556 4.614 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN(C)C(C)C)C1 1301558427 VPDGWVHLSDRNCI-HSZRJFAPSA-N 439.648 4.537 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 1303787141 AWWXYWWAKDBJAG-UHFFFAOYSA-N 429.564 4.758 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H](C)CC#N)CC1 1305104230 CJUDIITZMAZICQ-QGZVFWFLSA-N 432.975 4.598 30 10 IJEE CN(C)C(=O)O[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 1310171468 HXUGDEJRTPEILH-SFHVURJKSA-N 442.903 4.698 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 1310211250 CRJLSYIWZWDNIG-SFHVURJKSA-N 428.330 4.958 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(-c3cccnc3)n(-c3c(CC)cccc3CC)c2=S)C1 1320031539 XIWOAMZUFLZSGM-QFIPXVFZSA-N 449.624 4.824 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(Oc3cccc(Br)c3)cc2)c1 1351037984 FAMRMHUHJYOCTR-UHFFFAOYSA-N 449.304 4.591 30 10 IJEE C=CCN(C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)c1nc(-c2ccccc2)cs1 1352762708 HZPYZXDHHBEZTP-UHFFFAOYSA-N 443.454 4.943 30 10 IJEE C=CCc1ccc(OCC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)c(OC)c1 1352883905 YUYHRVBECSMQPN-UHFFFAOYSA-N 436.596 4.885 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCC(C)(C)C)c1 1354496115 IRJXZQLNSPTAGL-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1355268689 CXAGPHJHUGRFEX-XJUOHMSHSA-N 442.650 4.667 30 10 IJEE N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccn(-c2ccc(Br)cc2)n1 1355397359 AWDMBXSIQKBEIO-UHFFFAOYSA-N 447.292 4.946 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCC(=O)N(CC)CC 1358940805 MPEIHSMGIRHDLA-UHFFFAOYSA-N 444.004 4.531 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCO[C@H]1CCCC[C@H]1C 1358989558 HONUGBJBXBEBBR-BWKNWUBXSA-N 441.579 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)CCC(C)C 1359001867 GLAATTKXFFBTSA-HHHXNRCGSA-N 447.627 4.999 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)C[C@@H]1CC 1359062217 ZNRCMDYSIKKNOC-MSOLQXFVSA-N 430.643 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(SC)CC1 1359113100 ZUFHNGLERKUPIG-SFHVURJKSA-N 449.665 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1359115271 RNZBXEFBJILRJS-IBGZPJMESA-N 443.555 4.520 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCc2cccc(Br)c2C1 1359126774 YTZNTFBKXOPTAD-MRXNPFEDSA-N 433.394 4.710 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1359208326 JWZKSIUZQMBYMJ-QUCCMNQESA-N 428.552 4.776 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC1CCN(CCC)CC1 1359263676 IUUITCJZEOSILY-NRFANRHFSA-N 443.661 4.548 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCC[C@@H]1C 1359268051 BNXVCQJGNHQJHB-SFHVURJKSA-N 444.421 4.679 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1359345243 YKUJXUBZZPUVCL-HXUWFJFHSA-N 441.626 4.600 30 10 IJEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C)CCCC1 1359841172 FCWVZFOVRORWNK-UHFFFAOYSA-N 434.632 4.641 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2CCc3c(Br)cccc32)CCCN1C(=O)OC(C)(C)C 1359859801 GTQNBVYBPHOGNE-GCJKJVERSA-N 449.389 4.898 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 1436136312 SDXIWWRXYAUHSZ-VWLOTQADSA-N 426.516 4.847 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)C(F)(F)F)cc1 1436240748 WFBLFDQNTNEHRP-JKSBSHDWSA-N 431.454 4.738 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3C2(C)C)cc1OC 1438928377 NOBDMEZXSBHXLS-PKNBQFBNSA-N 437.536 4.610 30 10 IJEE C#CCCCNC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1449022501 ZJCXNEWAMVYLND-HXUWFJFHSA-N 430.548 4.567 30 10 IJEE C[C@@H](c1ccc(Br)cc1)N1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1458177349 FPBSBVOCDAHUFC-INIZCTEOSA-N 427.390 4.896 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)c1c([N+](=O)[O-])cnc2cc(Br)ccc12 1458369011 BJUUETOQWIPHDY-UHFFFAOYSA-N 432.274 4.574 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3cc(C)ccc3F)C2=O)nnc1-c1cccs1 1458993564 IFUXGBZVEDFVCO-SFHVURJKSA-N 428.558 4.928 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)Cc1cccc(C#N)c1 1459392802 BDOAFNAKUYMYRG-UHFFFAOYSA-N 449.558 4.726 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 1461526964 BWOPFEYSCAXMBG-IFMALSPDSA-N 432.630 4.589 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1)[C@@H]1CCCc2ccccc21 1464972094 NUPRCPBSKGRIKO-HSZRJFAPSA-N 431.536 4.618 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 1465093430 SQAVBHSVGPPORJ-UHFFFAOYSA-N 442.581 4.705 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)cc1 1465094313 AJWMGDWTAJKTDX-NRFANRHFSA-N 437.540 4.752 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)c(Cl)cc1I)c1ccccc1 1467107540 XMJYSDDKZARWPG-AWEZNQCLSA-N 428.632 4.580 30 10 IJEE CO[C@@](C)(CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)COCc1ccccc1 1468949769 ACOIAZFLSHQXDS-VWLOTQADSA-N 449.576 4.708 30 10 IJEE Cc1ccccc1CCc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n[nH]1 1469639993 HYSCFPCGVWAXQO-UHFFFAOYSA-N 426.476 4.799 30 10 IJEE C#C[C@@H](NC(=O)N1CCSC[C@@H]1c1ccc(C)cc1)c1ccc(Br)cc1 1470663251 LNZSAXKILVVQKC-WOJBJXKFSA-N 429.383 4.932 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)C(=O)OC 1471895397 PAYVWZMSRFUDGQ-CPJSRVTESA-N 436.577 4.811 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H](C)C[C@H]1c1cccc(OC)c1)c1ccc(Br)cc1 1478895451 CPNCAPRXJVBHIW-JHVJFLLYSA-N 427.342 4.925 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1497703078 HPNCJASIOBOJSE-NRFANRHFSA-N 437.588 4.704 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N1CCCCC1 1503476572 BWJVKJKVEPVTOR-JOCHJYFZSA-N 446.599 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCN(C(C)C)C1 1507521709 BFSHSONKYFSUSR-VQTJNVASSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC(F)(F)C1 1507524941 XDYACKPGXLPNAQ-QWHCGFSZSA-N 441.295 4.740 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CCC)C1 1507558841 LQGMTJSHKHMLQW-KRWDZBQOSA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1507566573 KUMKOHJYLOSHEN-OAQYLSRUSA-N 449.624 4.830 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1507815726 ILBGKIGQTHHCJD-UHFFFAOYSA-N 447.583 4.800 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@@H](SC)C1 1507839378 CXKBDUCVCLTKNJ-HXUWFJFHSA-N 437.613 4.808 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1507853284 DDIPTLJWNPHPKG-RDTXWAMCSA-N 436.387 4.629 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507854586 OWCMCFDFIZJPFP-GASCZTMLSA-N 437.922 4.627 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCC[C@H]2C)CC1 1507909808 TVLHBGHYYMJIFG-HXUWFJFHSA-N 425.646 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccs2)CC1 1507912761 UETDSMCTJGFALA-UHFFFAOYSA-N 432.597 4.807 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nnc(CC)s1 1508015168 MBLHMIIGGZFRHW-HNNXBMFYSA-N 440.642 4.772 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC=CCC2)C1 1508116283 IOLIXPHAIZKXAL-YLJYHZDGSA-N 443.389 4.845 30 10 IJEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(C)(C)C)CC1 1508298624 FXXWPSYQDCRGEF-UHFFFAOYSA-N 436.604 4.527 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1 1515647501 KEBAQXBWWUGASS-UHFFFAOYSA-N 434.467 4.833 30 10 IJEE C=C(C)[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)c1ccc(F)c(F)c1 1523232756 OQRBYYUIEYABLV-IFXJQAMLSA-N 435.268 4.587 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1526450425 AYMYECASUOQCFA-KRWDZBQOSA-N 430.342 4.727 30 10 IJEE CC(C)(C)[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)OCc1ccccc1 1527045567 DORHYWQDUUNDOT-HSZRJFAPSA-N 446.503 4.618 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)c1 1528137379 DZBRDDXXCYPZHV-QFIPXVFZSA-N 440.540 4.725 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccccc2)c1OC 1529485612 LJLXJXSDHZWWAZ-UHFFFAOYSA-N 444.304 4.611 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1530086665 PCBOWDLLATUWRH-JKSUJKDBSA-N 437.590 4.557 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc3cccc(F)c3c2Cl)cc1 1534003308 RCUBWXGHHHXCCG-UHFFFAOYSA-N 438.933 4.753 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1536323649 IWAFWRZZCOCZML-PGRDOPGGSA-N 431.363 4.770 30 10 IJEE O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CC(c2cccc(F)c2)=NO1 1536962196 GYJRJZCWQJQSCD-HZPDHXFCSA-N 434.311 4.757 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1csc(CC)n1 1539050095 YKLLKRULNLIDCB-UHFFFAOYSA-N 445.596 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(CC)CC1 1539337035 JGOLSEHVQAYBNF-UHFFFAOYSA-N 431.367 4.817 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCN1CCCC 1539548598 RAJCTCRZOVHZNM-ATIYNZHBSA-N 435.616 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCOCCC(C)C 1539566695 NXRWIUAXGFGTRQ-HSZRJFAPSA-N 430.980 4.565 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539623679 NOMQVMPCLYHQTH-LORHWOILSA-N 438.469 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccoc1 1539654883 GYTDGRYAHGIILQ-UHFFFAOYSA-N 431.334 4.760 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539691390 YBOIIAAUBPJJTN-GOSISDBHSA-N 443.617 4.567 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCOC[C@@H](C2CCC2)C1 1539694691 IWGNVXXDGBGDOF-KRWDZBQOSA-N 431.378 4.537 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1539733800 PLIAIIUQCWHKSJ-WOJBJXKFSA-N 430.618 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cccs2)CC1 1539920821 LPESVJPJMMQLOY-UHFFFAOYSA-N 439.604 4.998 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CC=CCC1 1539978260 ZQEIGKQYEOSWBV-IBGZPJMESA-N 427.980 4.620 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ncc(CC)s1 1539981172 FMJVEKLJJLPVJW-UHFFFAOYSA-N 435.395 4.657 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1oc(CC)nc1C 1540133671 JHSLLQNYXHOWDZ-UHFFFAOYSA-N 432.503 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cccc(N(C)C)c1 1540140705 ROFGXSZTEJJEBD-UHFFFAOYSA-N 430.581 4.709 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCC(C)CC1 1540909715 OAMSDJZOYKCDIV-UHFFFAOYSA-N 438.439 4.970 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)CC1CC(F)C1 1540911815 DBKAXVSPALQEBM-UHFFFAOYSA-N 439.398 4.811 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1 1541611571 DIHRMIPISXHPFA-DEOSSOPVSA-N 447.564 4.794 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCOC2CCCCCC2)cc1C 1542446201 CNDTWPYSEYIRAN-NRFANRHFSA-N 439.604 4.952 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3ccc(OCC)cc3)cs2)CN(C(=O)OC(C)(C)C)C1 1542969146 UODBFKZKMKQOAL-UHFFFAOYSA-N 443.569 4.961 30 10 IJEE C=CC1(CC(=O)Nc2cc(Cl)ccc2OCCOCC)CN(C(=O)OC(C)(C)C)C1 1546309197 YTNFCMQOUSXBNN-UHFFFAOYSA-N 438.952 4.507 30 10 IJEE C=CCCC[C@@H](NC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)c1ccccc1 1558132954 AIWKCFFYAFTMHQ-LJQANCHMSA-N 429.586 4.924 30 10 IJEE CCCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCCCC1 1559496142 FDNKCQDVGUMCNC-NRFANRHFSA-N 440.632 4.648 30 10 IJEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CC1(C)CCCCC1 1561261162 XWCHAXYLZZNNIX-SFHVURJKSA-N 440.403 4.508 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 1567820724 BPFWGGDZSWPSRH-LJQANCHMSA-N 427.369 4.762 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 1584037437 ZIDOJTVEFJSQJD-UITAMQMPSA-N 433.258 4.583 30 10 IJEE COc1ncc(NC(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1C#N 1584825985 GUMDFAFHPIEKSY-GOSISDBHSA-N 430.549 4.544 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@H](C3CCC3)C2)nnc1-c1ccc(Cl)cc1 1585005844 NPVHKUKQLJGJBL-SFHVURJKSA-N 431.005 4.915 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1sc(-c2ccc(C)cc2Br)nc1C 1586232176 OAWAWVVRZDONNO-RHSMWYFYSA-N 435.387 4.900 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1587705337 BHQZRRLSVMQNJC-NTKDMRAZSA-N 428.552 4.756 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1587809105 ZGEBQHIANCEFQI-NBHGPNQESA-N 445.007 4.963 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN(C)C1CCCCC1 1588104971 GECUGPPWKMTCIN-UHFFFAOYSA-N 445.655 4.970 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCC(F)(F)C1 1588200050 ASWKEHMAERUQJG-QGZVFWFLSA-N 431.918 4.672 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CSCCS1 1588292771 BFCPLCKIPKGWRG-OAQYLSRUSA-N 444.670 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)CCc1ccc(Br)cc1 1589484944 WKGXWGWIGTYECX-ICSRJNTNSA-N 447.421 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@H](C)[C@H]1C 1589514863 IYVKRSXGOVCMLA-VIPLHTEESA-N 433.021 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCN1CCC 1589614980 IORZEQQHPQGBSL-IBGZPJMESA-N 432.012 4.884 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1593671238 AWOUZAFNMUDAGY-KRWDZBQOSA-N 448.951 4.865 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C(CC)CC)N(C)C)CC1 1594035059 AUDDSFVCXRCRSJ-XMMPIXPASA-N 447.631 4.858 30 10 IJEE C=CC1CCN(c2nnc(C(C)C)n2CCc2ccc(OC)c(Br)c2)CC1 1594182265 WFUDDJPWNIXTKX-UHFFFAOYSA-N 433.394 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC[C@@H]2CCOC2)CC1 1594218707 PQDPGBUSGSXABQ-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCc2c(C)noc2C)CC1 1594436695 CIYBSGKJUONDHC-UHFFFAOYSA-N 435.572 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1594472443 DYXJDGPYALPMNE-RXVVDRJESA-N 434.592 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1594520951 HMNONCDCCULDRM-IRLDBZIGSA-N 426.605 4.937 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCSC2(CCCCC2)C1 1594802585 DBHNNHMUTKVGBS-UHFFFAOYSA-N 430.593 4.933 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCC=C(C)C 1595276103 WVQPDKDWJNRYNT-UHFFFAOYSA-N 437.357 4.842 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1595871528 UPCDNDAQXITOGB-LJQANCHMSA-N 435.597 4.570 30 10 IJEE C=CCn1c(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)nnc1-c1ccc(F)cc1 1611760433 AFUSJBLSDIIXBJ-UHFFFAOYSA-N 443.447 4.715 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCCC2)C[C@H](C(F)(F)F)O1 1612916635 DADBAXLVJSULCC-OXJNMPFZSA-N 447.505 4.943 30 10 IJEE Cc1cccc(-n2c(SCC(=O)c3cccc(C#N)c3)nc3ccccc3c2=O)c1C 1613204825 CWYBPHNLMQXMMF-UHFFFAOYSA-N 425.513 4.849 30 10 IJEE COc1cc(NC(=O)CCc2nc3cc(Br)ccc3s2)c(F)cc1C#N 1623344700 HNXAZZATXJKWIJ-UHFFFAOYSA-N 434.290 4.649 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 1624241878 HHSWDSIUMJPTLW-UHFFFAOYSA-N 445.548 4.867 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(Cl)cc1F 1625630814 ZETDEMGOFMCCHZ-XJKSGUPXSA-N 447.747 4.804 30 10 IJEE C#CCC1(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)CCCCC1 1626676288 WELWAFFVXHYCJS-UHFFFAOYSA-N 440.385 4.970 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 1628290717 IWSFDPVGURWUQH-COXVUDFISA-N 431.360 4.568 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 1631052858 YAPBDMOJFGTKDU-SJLPKXTDSA-N 438.952 4.527 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CNC(=O)c1sc2ccccc2c1Cl 1634163845 QMXOUYMHFUTBAN-UHFFFAOYSA-N 428.941 4.821 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 1636098588 KIALHLRAMOXMDO-WIYYLYMNSA-N 429.358 4.719 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 1636365763 ULAJQJGOZNMRRC-IBGZPJMESA-N 436.487 4.614 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC 1638664169 DIZHPYPNOYDDGW-RTWAWAEBSA-N 426.513 4.787 30 10 IJEE C#CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)Cc1ccc(F)cc1 1641656297 FMDBMJFFEIHBAQ-UHFFFAOYSA-N 427.932 4.985 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)CCc3ccc(C(F)(F)F)cc3)n[nH]2)c1C 1643330070 GJPTVFNMRBHJHT-UHFFFAOYSA-N 445.489 4.800 30 10 IJEE C=CCn1c(SCC2(CC(=O)OC)CC2)nc2cc(-c3ccccc3)sc2c1=O 1643557409 LMHJJWMUOMHFQJ-UHFFFAOYSA-N 426.563 4.746 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)s2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1655969938 LEPIHEOXRJDYEL-LBPRGKRZSA-N 446.619 4.909 30 10 IJEE C=CCn1c(SCc2nccc(OC)c2OC)nc2sc3c(c2c1=O)CCCCC3 1655978965 HDXZSJMZIUQIAL-UHFFFAOYSA-N 443.594 4.617 30 10 IJEE C#CCN(C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCOc2ccc(Br)cc21 1658569131 RTLBHZYYCRAAPI-WDYCEAGBSA-N 449.389 4.511 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCCC1(C(=O)OC)CCC1 1662577517 RRZFZBGIPBTIEO-UHFFFAOYSA-N 439.350 4.649 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 1664951608 NXNGBPIPCBAZDS-UYAOXDASSA-N 433.618 4.896 30 10 IJEE O=C(Nc1ccc(OC(F)F)nc1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1670668690 GJEHYBHNPWSHDL-LBPRGKRZSA-N 427.276 4.710 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1676881384 VJUZZCQWGAIZFL-UHFFFAOYSA-N 433.474 4.982 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 1681755567 BDFKEOMEKJEFRK-VLIAUNLRSA-N 440.341 4.532 30 10 IJEE C#CCN(C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682047451 HDAPSCPEPUORMT-KESTWPANSA-N 445.991 4.630 30 10 IJEE C#C[C@@H](NC(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1)c1ccc(Br)cc1 1686920030 RLRNBJDSDPHQRU-HRAATJIYSA-N 429.358 4.652 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)NCCc1ccc(C#N)cc1 1687039297 BBRWSGXAZUHHIQ-JOCHJYFZSA-N 444.501 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)c1nc(C)cs1 1689866377 AYXMJXKWHTWZRZ-WBVHZDCISA-N 441.626 4.606 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCc1c[nH]nc1C 1690061050 PTJQCMAGWHZIKG-UHFFFAOYSA-N 445.596 4.501 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1690157229 AMFJIVJMJBZYJV-AQNXPRMDSA-N 442.629 4.666 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1690224073 AHGQTFAAPSOLGL-RHSMWYFYSA-N 442.188 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCSC1 1690259511 LZEHZQMWNIBTPC-LJQANCHMSA-N 427.401 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCCO1 1690259723 UGDZJUXLQJIRAY-OAQYLSRUSA-N 433.394 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1 1690272777 QDPDTFNRNNUHSQ-OTWHNJEPSA-N 449.665 4.737 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1C(C)(C)C)c1ccccc1 1690446773 FQLJMXJLYOQBLD-FGZHOGPDSA-N 435.616 4.527 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690572296 YJKLVKRJMGIRCU-NBGIEHNGSA-N 442.579 4.537 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1C[C@H]1c1ccccc1 1690625995 MIWZEOYGFXJPGD-GSPCLOLRSA-N 438.616 4.639 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(c2cccs2)CC1 1690633120 JTWMKFMGCUASOD-UHFFFAOYSA-N 444.402 4.590 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(CC)CCCC1 1694134401 GJCJGKZCWOBGRQ-OAQYLSRUSA-N 434.632 4.956 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1ncc(C)s1 1705481094 ZOPLWPNXCMZVNK-ZIAGYGMSSA-N 444.402 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1noc2c1CCCC2 1705485884 RLBNLLALQIJXNZ-IBGZPJMESA-N 447.583 4.743 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1705617240 XYXDBLGTIWOULK-PMACEKPBSA-N 438.616 4.818 30 10 IJEE C=C(Cl)Cn1c(N2CCC(OCCCOC)CC2)nnc1C1(c2ccccc2)CCC1 1705760370 IBKOGSBMXXQSCG-UHFFFAOYSA-N 445.007 4.523 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN(CC)C2CC2)CC1 1705776776 OYJVGHJMDMPUSQ-GOSISDBHSA-N 444.023 4.958 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@@H](C)C1)c1ccccc1 1705796451 FLAWPYQYHOJLKE-GHTZIAJQSA-N 437.975 4.969 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705801034 QQVYMRKVMAYRHQ-QUCCMNQESA-N 444.645 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705802167 CWAGGPXBZJUPGS-LAUBAEHRSA-N 444.542 4.700 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705812069 QMAFSJNXLCZACB-NHCUHLMSSA-N 434.588 4.729 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccnc(N2CCCCC2)c1 1705875062 GDYFQWHGDLSHQT-UHFFFAOYSA-N 434.613 4.542 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOCC2(CCC2)C1 1705887266 WSULVXFFZKMEDL-GOSISDBHSA-N 430.980 4.881 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC(C)(OC)C1 1705940597 JYGMJKGKVKQBGC-UHFFFAOYSA-N 441.626 4.521 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCC(C(F)(F)F)CC1 1722296695 UIDSMZVANKEREH-ILCXRZRJSA-N 448.489 4.617 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@H](CC)C1 1722312005 RBWATSBTMLYPQO-DOTOQJQBSA-N 449.368 4.654 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnc(C)s1 1722312201 YNDIHWPBTHIYEQ-UHFFFAOYSA-N 429.977 4.812 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)N(C)C 1722469074 SWNLOJUUIYQSGS-OYHNWAKOSA-N 428.005 4.755 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1722563888 ZUZZSKWVCWYNLJ-UHFFFAOYSA-N 433.890 4.743 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1722633187 DAIJPLFSVHJEMD-LERMDLETSA-N 430.980 4.899 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H]1CCO[C@@H]1C(C)C 1722661776 AFYNGANUPROFIY-NFBKMPQASA-N 437.613 4.579 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1ccc(C)s1 1722675901 UYXIHYUVJBEDSK-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1740595001 HXGFUPHYHVZXLQ-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1Cc2ccccc2[C@H]1C 1740741081 PGUOFQNDNUMQPN-CYBMUJFWSA-N 430.737 4.983 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]1CSC 1740753589 LRFNPZXVESUCIT-IHPCNDPISA-N 433.021 4.912 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCCn2ccnc2C)CC1 1740823216 AKPMZDMOYRONQL-IBGZPJMESA-N 438.551 4.699 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(Cl)ccc2OC)CC1 1740827049 HYNBISZHSNCSKD-UHFFFAOYSA-N 429.977 4.501 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@](C)(O)C2CCCCC2)CC1 1740828002 SMTREPXMUMCRES-AREMUKBSSA-N 438.616 4.962 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nc(C)c(C)s2)CC1 1740840763 LENPETYIXVMVJV-UHFFFAOYSA-N 437.613 4.596 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1740862688 BNXRXQTZIONYKX-FQEVSTJZSA-N 438.620 4.782 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740868881 VQKNHLVAJYXEPQ-VQTJNVASSA-N 438.551 4.870 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCC(C)(C)C1 1740894283 OSGTYEUCWYAPRB-GOSISDBHSA-N 427.662 4.876 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCC(OC)CC1 1740903470 CILOVAZQRCIMOX-UHFFFAOYSA-N 426.605 4.982 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@H](C)C1)C1CC1 1740913561 PJZUPLJXMSRIFG-MSOLQXFVSA-N 430.980 4.871 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(OC(C)(C)C)nc1 1741797963 DFRZCNFAGPWKBC-MRXNPFEDSA-N 438.963 4.957 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1748703237 XRQSJHSBIWMWLA-WMLDXEAASA-N 426.870 4.558 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1748727289 ODYZQZLTEIGNHE-JOCHJYFZSA-N 434.613 4.757 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1748781092 XDHJUSPGNXGDEQ-JOCHJYFZSA-N 437.632 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1Cc1ccc(Cl)s1 1749071963 ZCVCXKLQTDXEQU-JOCHJYFZSA-N 426.973 4.633 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)[C@@H]1C 1749256792 CJMSAPSFAKHORU-QWRGUYRKSA-N 433.828 4.852 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2scnc2C)CC1 1749288041 KRCMUPLIFCHEGY-UHFFFAOYSA-N 431.512 4.711 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1749293517 PPEGJTUGOIGABQ-IEBWSBKVSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(c3ccc(F)c(OC)c3)CC2)nnc1C(C)(C)C 1749376661 ASTPEXXLDPAJPW-UHFFFAOYSA-N 429.584 4.652 30 10 IJEE C=CC[C@H](Cn1c(N2CCCC(C)(C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1749385369 QEKPMIMZNDLBKW-GJZUVCINSA-N 438.616 4.917 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749450306 BSXZHVINEODDQO-GUDVDZBRSA-N 445.633 4.506 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H]1C 1749549258 TZZZQYRTWSURAS-IBGZPJMESA-N 432.597 4.555 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H](OC)c1ccccc1 1749554392 SAEVOGXEFZLXFD-UNMCSNQZSA-N 438.597 4.814 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1749688955 APFBXIFBVSRHOQ-UHFFFAOYSA-N 448.411 4.775 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1749744488 LCWKUDQQCNDXJP-GGPKGHCWSA-N 430.618 4.568 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2CCO[C@H](C)C2)cc1 1751585698 HBGWVODPNHPQKO-PWHSHALESA-N 443.592 4.526 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCC2)n1 1751739046 AFBZEHLECNPDNA-INIZCTEOSA-N 436.585 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCO[C@H]1CCCC[C@@H]1C 1760105884 IFKOBQVNTMMCPL-ZWOKBUDYSA-N 430.980 4.660 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760154243 QGSIYLNASPEACB-SFHVURJKSA-N 444.963 4.714 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCOC1CCCCCC1 1760230919 PLRAISDKNCWTSV-UHFFFAOYSA-N 445.405 4.907 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)C(F)(F)F 1760252644 IEZTUPSXNUYYRG-UHFFFAOYSA-N 440.535 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCCn1ccnc1C 1760291602 VTQONNNXERXWGH-HSZRJFAPSA-N 440.954 4.715 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1C 1760320058 VZHXMLSOOXFLIU-KHYOSLBOSA-N 449.368 4.817 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)=C(Br)C1 1760347724 RQMZHJMMFHYBIF-UHFFFAOYSA-N 431.378 4.929 30 10 IJEE C=C(C)COCCn1c(N(C)CC2CC(F)(F)C2)nnc1C1(c2ccccc2)CCC1 1760361068 GDUXBFVNQOBXHJ-UHFFFAOYSA-N 430.543 4.822 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C(CC)CC)N(C)C)CC1 1760392256 JWXVWDJMIJCVDP-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1760400009 JUTRSDUJCRRVRE-UHFFFAOYSA-N 445.493 4.592 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1ccnc(SC)c1 1760478357 FEAYXVNKOUOTCZ-UHFFFAOYSA-N 432.597 4.805 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(OC)C1CC1 1760479580 UETRYVGRUQYAOO-RUZDIDTESA-N 431.540 4.726 30 10 IJEE CCc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C#N)CC2)cc1 1762622026 BCRNYGJAHXTRAN-DHIUTWEWSA-N 435.616 4.742 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2CC)CCS1 1765307426 HMLFUFBXOWVTQN-RZUBCFFCSA-N 439.629 4.887 30 10 IJEE Cc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(C(C)(C)C)cc3)n2)cc1Cl 1857806892 NIQUJXYAMSQITM-ROTLSHHCSA-N 425.989 4.966 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3ccccc3SC)nc12 1859656010 KLHURCPPESTWAU-UHFFFAOYSA-N 429.505 4.583 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)cc1 1862441526 KATRLTIEHJTPIG-JOCHJYFZSA-N 440.971 4.959 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862494231 IOXXTSZVFQDHIC-ZJSXRUAMSA-N 449.547 4.850 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2F)cc1 1862590370 HMHVTFVRZXYWLY-NPMXOYFQSA-N 447.462 4.879 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862594207 BXQCGYZLIYORLV-QHCPKHFHSA-N 442.446 4.791 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2cc[nH]c2c1 1862627136 KVLUAIMKZOSVLH-JOCHJYFZSA-N 432.476 4.665 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862687999 QSTKSVMONJWZGI-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE COc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968635 XZDBQYWLSNXCRM-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2cccc(SC)c2)C1=O 1863062580 HLXAWHBQUPXOKA-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2ccc(Br)cc2)C1=O 1863194917 RFDSUVQMSGYQFC-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 1866302655 VVKBXUVSMRFEFK-SSDOTTSWSA-N 447.105 4.889 30 10 IJEE CCCCCCOc1ccc(C(=O)NC(C)(C)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc1 1867564569 GTEMRKMUTBKONG-HSZRJFAPSA-N 435.568 4.844 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(C)C 1868995406 ZQKSIYHIMDDKIF-DEOSSOPVSA-N 437.584 4.657 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2Cc2cccc(C)c2)c2ccccc2)cc1 1870106327 IARDJZCYNNWRRL-JLPGSUDCSA-N 449.514 4.694 30 10 IJEE C=CCOc1cn(Cc2ccccc2F)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870245968 MKSAQCDOOIAZRQ-UHFFFAOYSA-N 435.524 4.910 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN(C)Cc1ccccc1 1870694450 DKUCVHHSMQEOON-UHFFFAOYSA-N 442.600 4.783 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(Cc2nc4ccccc4[nH]2)CO3)C1=O 1871348378 BQJHYADKQHJHET-JMIUGGIZSA-N 429.501 4.901 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c(OC)c1 1871371734 GDFATGXZKSTXTP-FMCGGJTJSA-N 434.419 4.607 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871421877 AJKKCCIJHMAETB-FMCGGJTJSA-N 445.446 4.970 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1871755414 WAJDWVOMAGXGAJ-HSZRJFAPSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1871986326 ZDVZPRBDRFIBEB-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCCCCCC)cc1)C(C)C)S(=O)(=O)CC 1872161537 PYFKKFKMLNJOTM-QFIPXVFZSA-N 438.634 4.837 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)C1CC1 1872279430 DRVHIJZWOSCHLT-DEOSSOPVSA-N 440.609 4.611 30 10 IJEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 1872767294 WPKCDOVPOVOZGD-KUHUBIRLSA-N 429.501 4.695 30 10 IJEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3ccccc3OC)CC2)c1 1872846794 RYIYJQGWGQJTST-UHFFFAOYSA-N 442.559 4.965 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccco1 1874377812 PIIWGVUGJWSMHC-AFUMVMLFSA-N 449.511 4.522 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCCO)cc1 1874408649 IGTMWPMRGGDTNI-HKOYGPOVSA-N 429.634 4.604 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccncc1 1874427904 HQCHJMWZMGBASG-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(OC)c1 1874456685 ZTNJKOWOVYIQGW-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(N)=O)c(Br)c2)cc1C(C)C 1874627662 ZQKGWBWHVAEBNC-FNORWQNLSA-N 446.341 4.650 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1)c1ncccc1C#N 1890090593 WFAHDWUZSFYFJT-UHFFFAOYSA-N 434.487 4.554 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(Cl)cc3C)cc21 1890714164 MCAFEJIRYMHASF-UHFFFAOYSA-N 428.916 4.604 30 10 IJEE C=CCC1(NCc2cc(OC)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924551860 OVYCVSOLAIBFHQ-UHFFFAOYSA-N 439.394 4.893 30 10 IJEE CC1(C)C[C@]1(C[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952414311 FFHHGAWWKMZFCC-IZHWHUGBSA-N 425.550 4.715 30 10 IJEE N#Cc1cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)ccc1F 1952789543 QBXZXTCNLIKTRX-NVQXNPDNSA-N 442.446 4.536 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 1983328909 DABHBBCUIQJSFR-BBTUJRGHSA-N 428.495 4.522 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)(C#N)C1 1985178913 MKISWEDYLCACPM-XHVWGTPRSA-N 445.563 4.748 30 10 IJEE CC(F)(F)C[C@@H]1CSC(=NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)N1 2003586215 DBULDUZVOBEGES-OAQYLSRUSA-N 445.579 4.564 30 10 IJEE C#CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CCCCC1 2059471819 DMAOUZDDSQZNTP-REWPJTCUSA-N 442.600 4.670 30 10 IJEE CC[C@H](c1ccc(C)c(F)c1)n1nc(C(C)C)c(/C=N/O)c1I 2079099723 VAPKLRPFHDBQLX-UPWAIKHBSA-N 429.277 4.866 30 10 IJEE CC[C@H](c1ccc(OC)cc1)n1nc(C(C)(C)C)c(C=NO)c1I 2079880245 NDPJOIAUXSISAW-OAHLLOKOSA-N 441.313 4.601 30 10 IJEE CCc1nn([C@@H](c2ccc(SC)cc2)C(C)C)c(I)c1C#N 2080101446 GIVODZBCRGOZIY-MRXNPFEDSA-N 425.339 4.889 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2ccc(Br)cc2C#N)CC1 2106957693 XKTHBAKHZQNDMR-INIZCTEOSA-N 426.330 4.718 30 10 IJEE C[C@H]1C[C@H](C)N(c2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2118155889 DQFYOZTVYCZFQB-STQMWFEESA-N 426.330 4.684 30 10 IJEE C=CCC1(C(=O)NCc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2124499697 OXZXQCSJWDMTFK-UHFFFAOYSA-N 443.769 4.532 30 10 IJEE CCN(c1ccc(C#N)c(Br)c1F)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2174811209 VGKMMQRIFDAIMP-CABCVRRESA-N 440.357 4.980 30 10 IJEE C[C@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181142518 XFSNTYZSRSQMDW-RBZFPXEDSA-N 436.350 4.733 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181145781 BYSOCXANGKWVEN-IIYDPXPESA-N 436.350 4.541 30 10 IJEE N#Cc1ccc(NC(=O)CCCCCNC(=O)OCc2ccccc2)cc1Br 2220589430 SMGPAXZPPILDDT-UHFFFAOYSA-N 444.329 4.746 30 10 IJEE O[C@@H](C#Cc1cccc(Cl)c1)c1cc(Br)ccc1I 2231092686 YBGGQCWAJUKHAT-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 2235721353 AYVBARLSGFRCGZ-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC1CCN(C(=O)OC(C)(C)C)CC1 2235726331 DURFRCQRDUYURP-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CCC1(C)CN(C(=O)OC(C)(C)C)C1 2235750166 RWCAIOZOCYROPP-GOSISDBHSA-N 435.406 4.816 30 10 IJEE C#C[C@@H](C1CC1)N(C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925676 ZFFPNDZCCKDNHY-UIOOFZCWSA-N 444.575 4.810 30 10 IJEE CC1(C)OB(c2sccc2C(=O)Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2255647349 XNUZWHCROMJLGJ-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)C1CCCCC1 2281831063 UMZGWLLFQZQINN-UHFFFAOYSA-N 449.400 4.970 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CCCC3)n(C3CC3)c2)OC1(C)C 2281835902 XFXIQMVNKROIQT-UHFFFAOYSA-N 448.416 4.955 30 10 IJEE Cc1ccc(N=C2SC(=Cc3cc4c(cc3Br)OCO4)C(=O)N2C)cc1 2293812365 LLAIWTKRGGUJRS-UHFFFAOYSA-N 431.311 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296217508 VHDHONWXYRQHBJ-WGQQHEPDSA-N 434.374 4.635 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CN(CC1CC1)C(=O)OC(C)(C)C 2296220553 ZGHUKSTXMZPBOJ-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)C#Cc3ccc(Br)cc3)CCC[C@@H]12 2296221948 NPILNHLZXZRVJA-XMSQKQJNSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@@H](N)C#Cc2cccc(Br)c2)C1 2296282883 AKDLOBRLLAHKAY-HKUYNNGSSA-N 435.406 4.801 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCC1CN(C(=O)OC(C)(C)C)C1 2296294492 UZMQGLBVOSYHTD-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2313556091 MFTJFSPFSZMXBO-UHFFFAOYSA-N 430.485 4.855 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(O)c1Cl 2318574863 VFMQLMCONZONHD-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE Cc1ccc(CCCC(=O)N[C@@H]2CCN[C@H](C(=O)C=Cc3ccc(C(C)C)cc3)C2)cc1 2318584865 SDINIBFWLNPNRU-FTJBHMTQSA-N 432.608 4.960 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)N[C@H](C)c2ccccc2)cc1 2322457311 UICNNBPZTOUFBW-LJQANCHMSA-N 445.515 4.856 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1 2323094324 CKAYVIXJNMGSAD-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2323222867 ZUYLYUXRAJUIMT-UHFFFAOYSA-N 432.403 4.627 30 10 IJEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2325669195 RERBESJKWRKQMJ-UHFFFAOYSA-N 441.911 4.606 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2325731552 CESGZCLZYDNXGU-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2325737276 QREIWDYOQLZBHR-UHFFFAOYSA-N 443.455 4.611 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cc(C)ccc1O 2325941440 VNTGJZLQKJGSAF-UHFFFAOYSA-N 431.359 4.640 30 10 IJEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)c(O)c1 2327751560 CMLQBPBWFBOIDR-UHFFFAOYSA-N 430.533 4.984 30 10 IJEE O=C(O)c1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 2329918578 GPWUBZGDNHANLK-UHFFFAOYSA-N 444.516 4.730 30 10 IJEE Oc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCCc1ccccc1 2329919402 UMCZBTSTBKESMZ-UHFFFAOYSA-N 430.533 4.780 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2330115697 LISNBXPZGDMOGR-CQSZACIVSA-N 448.470 4.596 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1cccc(OC)c1OCC 2330377388 JLOITLOFGIPBND-UHFFFAOYSA-N 428.583 4.888 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)cc1 2331136311 BHXXRJIYOTVOOT-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE CCCSc1nnc(COC)n1N=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 2331592537 VBJASFSQAYLLDP-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2ccccc2C)nnc1C(C)C 2331674028 WHMQFEBLWIBITG-UHFFFAOYSA-N 440.569 4.910 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339577717 WHLDAMNWCJXTCS-UHFFFAOYSA-N 444.381 4.895 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(C)cc(Br)c1OC 2339687542 XDGSKVDPQQSVRF-SJORKVTESA-N 427.383 4.886 30 10 IJEE Cc1cc(CN(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343699728 ZTLVGQVSZRQOAP-DEOSSOPVSA-N 435.417 4.864 30 10 IJEE Cc1cc(CN(C)CC2CCN(Cc3ccccc3)CC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369726272 ASDLSIXXLRZIPO-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE O=C[C@]1(Cc2ccc(I)c(Br)c2)CCOC12CCCC2 2377434236 ILFLSORWKQFMSF-OAHLLOKOSA-N 449.126 4.515 30 10 IJEE C=CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C(F)(F)F 11217337 LHJAVBOPYADNNW-IBGZPJMESA-N 447.482 4.702 30 10 IJEE CCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3)nn21 13363337 DWSCVRMYPJXKMP-JOCHJYFZSA-N 432.549 4.991 30 10 IJEE CCCCCCSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 20135847 NFUHACDTPXPXNK-IBGZPJMESA-N 427.530 4.881 30 10 IJEE CCc1ccccc1N/C(=N\C(=O)c1ccc(Cl)cc1)NCCc1c(C)nn(C)c1C 32973648 ZDZVAHIIQLQQPZ-UHFFFAOYSA-N 437.975 4.693 30 10 IJEE Cc1ccc(C(C)C)c(OCCN2C(=O)/C(=N\O)c3cc(Br)cc(C)c32)c1 39854035 NRAPNIXDJKWEHF-NMWGTECJSA-N 431.330 4.793 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1cccc(Br)c1 39898624 HNZUPTAFSPZJJG-IBGZPJMESA-N 444.716 4.929 30 10 IJEE CCCCCCCN1C(=O)C[C@H](C(=O)NC)S/C1=N/c1cccc(C(F)(F)F)c1 100168688 GJKIXSZESCUQFL-ZRRMFLMDSA-N 429.508 4.743 30 10 IJEE COc1ccc(C(=O)/C(=C\Nc2ccc(Br)cc2)C(=O)C(F)(F)F)cc1 102625207 PGKCHTYFUDPIEG-XNTDXEJSSA-N 428.204 4.768 30 10 IJEE COc1ccc(Br)cc1/C=N\n1cnnc1SCc1ccc(Cl)cc1 139675222 JDXMUYAKKBHLHM-NKVSQWTQSA-N 437.750 4.877 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968019 SADUGSHEGPWCHF-QHCPKHFHSA-N 445.446 4.954 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccs2)cc1 169989825 LLIHTUCUOWETJX-FQEVSTJZSA-N 429.501 4.970 30 10 IJEE N#Cc1ccc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCc4ccccc4C3)C2=O)cc1 170072593 WXMGHCIOMDOBGK-UHFFFAOYSA-N 439.902 4.554 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(C)c2)cc1C(C)C 170143325 QHUIYYKMINHBQN-HYBUGGRVSA-N 449.547 4.884 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccncc1)c1cccc(Cl)c1 170206628 NOBRSNPEYUOZOU-IBGZPJMESA-N 426.806 4.796 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccncc1 170210550 XUYBPCMTBYWUHY-LJQANCHMSA-N 440.883 4.868 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccncc1 170212012 JSZCSDJSULHXOH-GOSISDBHSA-N 447.318 4.918 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC)cc1 170213196 NRHOWDPNOYGJDV-XMMPIXPASA-N 445.515 4.853 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCOC(C)C)cc1 170265252 ZWTLTMWLNSVIOA-XMMPIXPASA-N 449.547 4.577 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)cc1Cl 170274733 FNTLNEHLIUBSLY-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccco2)cc1 170284607 QHBXALDVCFGTOG-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCOC(C)C)o1 170298704 YCTFFUQRSGDCMD-GOSISDBHSA-N 438.307 4.898 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)c1 170303728 BMFNYZZVYJRELK-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2sccc2C)cc1 170316619 FGKCZPGVYKRLID-FQEVSTJZSA-N 434.517 4.629 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Br)cc2)o1 170402705 DLRMNXIZMIJMSM-GOSISDBHSA-N 439.265 4.528 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c(C)c1 170536796 SWDHONGEXYOOOO-UHFFFAOYSA-N 425.492 4.543 30 10 IJEE CC(C)(C#N)CCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 227002568 GQJMLUOGGQIUAN-NRFANRHFSA-N 438.549 4.651 30 10 IJEE N#C[C@@H](C(=O)c1cc(Br)ccc1I)c1ccc(F)cc1 236185378 MFAYZZKEYDFWTJ-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 302637607 HRKNFEUEXXSBKU-UHFFFAOYSA-N 444.278 4.786 30 10 IJEE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CS)cc1Br 394591269 ZPCFGNJHXQGTER-IRXDYDNUSA-N 436.371 4.740 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cccc(OCCCC#N)c1 463281993 WXMDGMSUBRILOK-UHFFFAOYSA-N 431.521 4.790 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Br 484801632 BKXRIESQUPYPFN-MRXNPFEDSA-N 435.240 4.668 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 498376796 KWLJQCJDWKSSMI-UHFFFAOYSA-N 439.903 4.781 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 508900835 COWBCYUWSHAXPI-JOCHJYFZSA-N 448.954 4.893 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)c2cc(F)ccc2F)nnc1[C@@H]1COc2ccccc2O1 517357151 BFYHYBBWXLZIFV-YJYMSZOUSA-N 443.475 4.618 30 10 IJEE C[C@@H]1CCCN(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)C1 526688044 DRJVNSCFLXPZJL-OAHLLOKOSA-N 437.952 4.821 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 537264575 PJVJJAOMJCILDJ-MRXNPFEDSA-N 443.485 4.749 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(Cc2csc(-c3ccccc3)n2)CC1 549636565 CNBDLLOBTUTNMI-UHFFFAOYSA-N 446.580 4.560 30 10 IJEE CC1(C(=O)NC2CCN(c3ccccc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 553212514 MGVDKLWHZQWGSZ-UHFFFAOYSA-N 436.987 4.603 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 555254173 BCUWIQPEZUQDLU-YADHBBJMSA-N 434.588 4.957 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)CCCCC)CC1 564352458 YMWGASWNHMUFSD-UHFFFAOYSA-N 429.996 4.840 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(OCC)cc2)nc2sc3c(c2c1=O)CCC3 585660933 FQQVMHNNAIKWJG-UHFFFAOYSA-N 426.563 4.506 30 10 IJEE Cc1csc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 609053924 YPLQGPSCFYQDAN-KDOFPFPSSA-N 438.940 4.576 30 10 IJEE N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)CCN1C1CC1 732649615 LUDFPWONYMFWMX-QMZMWQIVSA-N 434.543 4.534 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OCC)cc1 733202741 WQBZCOGJKBQXBX-QFIPXVFZSA-N 449.576 4.686 30 10 IJEE N#C[C@@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1ccccc1Br 733266613 KRCRBUPTTCLDEV-MRXNPFEDSA-N 433.103 4.688 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1c(C)cccc1C 742212510 RXUVVOAKCROWDH-OAQYLSRUSA-N 444.560 4.549 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)nc1C 755881962 ISKRTWJZJMQSFY-OAHLLOKOSA-N 431.562 4.702 30 10 IJEE C=CC[C@H](c1ccncc1)N1C(=O)[C@@H](c2ccc(Br)cc2)N(C(C)C)C1=O 761271503 ZMJOJAWYOOHIDE-RTBURBONSA-N 428.330 4.875 30 10 IJEE C=CCCc1ccccc1NC(=O)c1c(Cl)ccc(S(=O)(=O)CCOC)c1Cl 800154461 REFOYEAOVHUSHU-UHFFFAOYSA-N 442.364 4.784 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)cc3)n2)cc1 1084280074 IZWMNIRQKQKBFK-HNNXBMFYSA-N 438.557 4.504 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccccc3Cl)n2)c(C)c1 1084602764 QUZJPXFKARHISZ-UHFFFAOYSA-N 428.949 4.642 30 10 IJEE C#CCOc1ccc(NC(=O)CCCCc2ccc(I)cc2)cc1 1126141113 KHYREVIWRPVRKX-UHFFFAOYSA-N 433.289 4.655 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2C(C)(C)C2(C)C)ccc1Cl 1126911458 JGAQVKBGLRNBOF-UHFFFAOYSA-N 447.000 4.886 30 10 IJEE O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cccnc1OCC(F)F 1128488166 FRLXQZIZSIDZCC-UHFFFAOYSA-N 426.288 4.641 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1OCc1ccccc1Br 1128537815 DNSANHZEHJYQLA-IIBYNOLFSA-N 430.342 4.739 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(Cc3ccc(C)c(C)c3)CC2)CCCN1C(=O)OC(C)(C)C 1129552503 RZDNJEKBJCMJLB-MHZLTWQESA-N 438.612 4.878 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(Br)cc1 1129731133 QLBJIRROIWLDKS-IBGZPJMESA-N 446.304 4.999 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3ccc(Cl)c(F)c32)nnc1-c1ccco1 1129787447 LIMHRCHQZGUHRO-UHFFFAOYSA-N 446.935 4.978 30 10 IJEE C=CCC[C@H](C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC)c1ccccc1 1133368920 DNJNXFJQOBRCNY-PMACEKPBSA-N 435.442 4.536 30 10 IJEE C/C(=C/c1ccccc1)CN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1138232132 YTHBRABIUZYPNG-WTPZTIPBSA-N 445.563 4.954 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 1142813488 DSVCPWNIDPQOSU-NJAFHUGGSA-N 426.479 4.927 30 10 IJEE COC(=O)c1cc(F)cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 1143546512 GSXSMCKSVFUNKQ-UHFFFAOYSA-N 438.842 4.969 30 10 IJEE COc1cncc(/C=C\CCN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1 1167788860 GZAPCYHOMWCJPT-RQOWECAXSA-N 425.492 4.654 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)c1 1189185522 CPMJFQIHCCSOSW-UHFFFAOYSA-N 440.547 4.923 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1)c1ccc(F)c(F)c1 1234555262 JBUVUUPYCHNSRQ-JOCHJYFZSA-N 449.929 4.771 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1F 1252478587 DNQSPAIMYYFPGN-MOPGFXCFSA-N 440.824 4.955 30 10 IJEE C=C1CCC(CNC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)CC1 1255139611 FVPJGWUKDQINCK-FCHUYYIVSA-N 445.579 4.964 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCc2sccc21)[C@@H]1CCOc2ccc(Br)cc21 1265209762 IJHVJLNBYFSGJV-SJLPKXTDSA-N 430.367 4.916 30 10 IJEE CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1271738305 BKIQWPGFISVRKP-OAQYLSRUSA-N 435.524 4.742 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286351795 UOOFLGWEWHGAQV-UHFFFAOYSA-N 437.466 4.533 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC1(COC)CCC1 1286436443 IOXMMLRTMWFIDT-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1cnn(CC(C)C)c1C 1286455044 RETVIOKORJRLOD-UHFFFAOYSA-N 436.579 4.564 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286602926 FQYSLFMCFOMYEZ-BJLQDIEVSA-N 444.645 4.728 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@](C)(O)c2ccccc2)CC1 1286653903 AMEYUBGCNYAXEC-XMMPIXPASA-N 437.975 4.694 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2cncn2)C1 1286666145 AQWZQROESHLROX-FCHUYYIVSA-N 433.604 4.855 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCOC1 1286674500 FJRDLCGMTVXAPP-HXUWFJFHSA-N 426.605 4.982 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 1286679647 SBFLUGIDSZKXKB-SFHVURJKSA-N 445.489 4.527 30 10 IJEE C=CCn1c(N(Cc2cccc(F)c2)C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777463 AWJUQBDGXRGGOV-PUZFROQSSA-N 443.567 4.789 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cccs1 1286825875 QPGFDWDWGMVLMK-UHFFFAOYSA-N 436.610 4.952 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 1290020334 HUEIUWGEGBOTSY-OAQYLSRUSA-N 436.961 4.617 30 10 IJEE CCCCCN(c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C#N)o1)C(C)C 1294114507 YKANYAWCVWVMKH-UHFFFAOYSA-N 445.527 4.512 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O)c1ccccc1 1299868933 CLBWZJUJTVRSJC-HXUWFJFHSA-N 449.304 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1300285981 CQRSZYAHNXNZCY-UCNVEGJOSA-N 435.959 4.619 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CC12CCOCC2 1300323244 YFGJRTONHVADKC-LEWJYISDSA-N 436.600 4.564 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(N(C)C)CCCC1 1300602379 DBJGSURHPQMBJJ-UHFFFAOYSA-N 444.627 4.687 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301222434 XFFGSJUDTRJWHE-QPTUXGOLSA-N 437.632 4.628 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CC1(COC)CCOCC1 1301351357 QLMKCYONQATUMI-UHFFFAOYSA-N 442.579 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC[C@]2(CCOC2)O1 1301379474 MBNFLXFPYNQLLY-WZONZLPQSA-N 446.954 4.644 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC3(CCCCC3)O2)cc1 1304396106 HKBIWRLAZUJJMA-IFMALSPDSA-N 437.588 4.786 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C(=O)OC(C)(C)C)C(C)C)cc1OCC 1308307767 MDLJTSJBLWFDAR-SFHVURJKSA-N 442.394 4.869 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)cc1OC 1308391477 DQNJTYUKQPSDEN-INIZCTEOSA-N 431.838 4.635 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(Cl)cc1 1311955028 TXNZDOGANUOSEI-VQTJNVASSA-N 433.980 4.787 30 10 IJEE C[C@@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(Cl)c(Cl)c1 1312642301 ATSHODAHRCRNAH-OAHLLOKOSA-N 431.367 4.890 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1OC 1349316940 GEWUVYMDUWFVJR-PEZBUJJGSA-N 442.515 4.842 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1357793742 LIIPBTFNICUMOA-UHFFFAOYSA-N 439.533 4.535 30 10 IJEE COc1ccccc1-c1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c(O)n1 1358198074 RMUARRVMPFUOPK-KRWDZBQOSA-N 428.275 4.764 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@@H]2CCCCC2(F)F)c1 1358901735 VJUBYMHTYTUJNW-HKUYNNGSSA-N 443.542 4.673 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCSc1nccs1 1358941976 DZJTYTSQLUSGFA-UHFFFAOYSA-N 443.667 4.984 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCC1(C)C 1358971252 NPFZBRZZXOZGGM-GOSISDBHSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359003203 BQXWYRKXSXZDNL-XUVXKRRUSA-N 439.673 4.711 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1ccc(OC(C)C)nc1 1359015226 MHHNEGDSSGHNOA-UHFFFAOYSA-N 435.547 4.585 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1C1CCC1 1359052123 VDCOYOYNOSMZNM-IBGZPJMESA-N 431.005 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C)c(C)s1 1359063956 HSZILKXGNLKOCX-WAIKUNEKSA-N 439.560 4.671 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1359085108 BRPJQRZMABIPAL-CQSZACIVSA-N 448.315 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H](c1ccco1)N1CCCC1 1359114309 GZIJBRZXBLLRSO-QFIPXVFZSA-N 437.563 4.841 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1359158925 ILUQQKUAPZVBBE-JQVVWYNYSA-N 426.536 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@H]21 1359184559 SIAWLWSFPUDEJD-FUHWJXTLSA-N 426.561 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](COc2ccccc2)C1 1359189523 NBVVGCDDLRTBEV-NRFANRHFSA-N 426.605 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1359191046 LQSBBOXCKNQDDD-JOCHJYFZSA-N 437.632 4.567 30 10 IJEE C=CCn1c(N2CCC[C@H]2c2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290814 QGKPEMOSAWEPFM-BBWFWOEESA-N 429.590 4.638 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)c1 1359822613 LGNAQJVPQDWZOA-MRXNPFEDSA-N 443.341 4.704 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1439339636 KDJPHFCYDQARMU-KSZLIROESA-N 426.479 4.650 30 10 IJEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1)C(C)(C)C 1439387508 GXDJPJWHUCLNIW-UHFFFAOYSA-N 426.582 4.556 30 10 IJEE C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C(=O)N1c1ccccc1 1456971663 GGCPDGARAHEYRF-HRAATJIYSA-N 445.906 4.928 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3cc(Br)ccc32)CCCN1C(=O)OC(C)(C)C 1458130066 FFFANFQYZXHNQM-OAQYLSRUSA-N 435.362 4.684 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCNC(=O)c2ccc3ccccc3c2)C(F)(F)F)cc1 1460041699 MPILSCAMZMKAML-JOCHJYFZSA-N 425.406 4.788 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(C(F)(F)F)cc(Cl)n1 1461733196 CFMGJSKSFVNCAA-UHFFFAOYSA-N 433.655 4.818 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1 1463489939 BNRPTWUALJWZQR-MRXNPFEDSA-N 447.944 4.830 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc(F)c(F)c1 1465025839 XYMSWUGCGVTSIS-GOSISDBHSA-N 439.256 4.937 30 10 IJEE C=CC1(CC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1465032362 SWGAENNYLBPQCX-IBGZPJMESA-N 434.552 4.549 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1cccc(Br)c1 1465091637 PYDJTALZLNCYAH-INIZCTEOSA-N 445.785 4.534 30 10 IJEE Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccccc1 1466681436 CQCADEKHJPNHRL-SFHVURJKSA-N 448.548 4.892 30 10 IJEE C#CCN(C(=O)Nc1ccc(-c2ccccn2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1466771927 PCFTVBVKPUGPBC-UHFFFAOYSA-N 434.540 4.615 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1467699070 CFCZBVXALYDKFJ-SZVBFZGTSA-N 427.898 4.808 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)C(F)F 1468857048 LLXPJZHGOPSCCL-QVKFZJNVSA-N 428.479 4.630 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 1470489948 VKFBFTZPPJXRMT-RPBOFIJWSA-N 427.548 4.723 30 10 IJEE C#CCOc1ccc(F)cc1NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 1474031102 SOZISENDCXMYTD-UHFFFAOYSA-N 436.439 4.946 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(C3SCCS3)c2)CC1 1475837822 ASEWKZWKDRNJBS-UHFFFAOYSA-N 428.558 4.530 30 10 IJEE C#C[C@H](NC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1 1478897380 VLSFKOBAQDPLSJ-FPOVZHCZSA-N 436.861 4.734 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1495998938 BUYUCQMXEHFDJL-HNNXBMFYSA-N 428.462 4.761 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)C1 1503328899 DQNYMNLKSZKCCO-NRFANRHFSA-N 440.661 4.517 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H](SC)C(C)(C)C 1507648404 ZSCQWLHTHPNHNF-SFHVURJKSA-N 445.430 4.558 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCc2c(C)cccc2C1 1507789039 RTSDGQLUPPNHRX-UHFFFAOYSA-N 429.387 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2sccc2c1 1507806246 GHTAVNDXVRPLRG-UHFFFAOYSA-N 432.553 4.591 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1507900134 HAVKNXXWGJOCBB-NLFFAJNJSA-N 440.588 4.712 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1507943814 MECOMRQAPXBFHA-GJZUVCINSA-N 437.632 4.629 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1507990572 QUEUINLFWKTQRA-UHFFFAOYSA-N 434.563 4.959 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508048198 WYPIXFHIJXDPMK-GUYCJALGSA-N 426.508 4.618 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1508165703 WVUQHDFCOXRGKQ-PXNSSMCTSA-N 439.654 4.935 30 10 IJEE C=CCSCCn1c(N2CC[C@H](C)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508167585 JRQJFMJJSMOJFF-INDMIFKZSA-N 449.665 4.593 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](CC(C)C)N(C)C 1513217099 CWFWZUQBHRREOW-DNQXCXABSA-N 436.648 4.926 30 10 IJEE COC1(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)CCCCC1 1517946060 AANSWRBRCZXVMY-KRWDZBQOSA-N 431.968 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1524094916 IIMXPCQBMKLXFI-HQRMLTQVSA-N 430.545 4.733 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1ccc(Br)cc1 1525054792 RRGGZIPVJIKBSZ-GOSISDBHSA-N 441.712 4.974 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 1525668010 LERBXSZRUHFLMX-UHFFFAOYSA-N 435.427 4.845 30 10 IJEE COc1ccc([C@H](NC(=O)COc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 1534853655 HYRTWRHSRDBGQN-HSZRJFAPSA-N 440.421 4.870 30 10 IJEE Cc1nn(CC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 1537067402 GBSGOORJPZSJJK-OAHLLOKOSA-N 443.473 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccncc1Cl 1538983265 PPNQDYLPRSECGZ-GJZGRUSLSA-N 425.989 4.686 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCOc1ncccc1Cl 1539384417 HMTQIQIVAPRXEV-QGZVFWFLSA-N 441.938 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C)cs1 1539538231 FMENAOIHXAKQRO-OPAMFIHVSA-N 441.988 4.877 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCC1 1539620169 JTTZFUZAAQQENU-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C)C1 1539624331 SBNIEBKTEJQMML-FVJLSDCUSA-N 430.980 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC2(C1)OCCO2 1539650786 VNILKOQLBJOTRJ-OALUTQOASA-N 444.551 4.503 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1539841264 CZAYDKWJFZTFMO-UHFFFAOYSA-N 440.592 4.580 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)cc1 1540068733 YWUZYBRBXPHJCR-UHFFFAOYSA-N 429.452 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC[C@@H](OC)C(F)(F)F 1540140377 OTURVQDJCIZNMP-QGZVFWFLSA-N 437.491 4.562 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1540163876 AXUJZYYQWWKFNC-GOSISDBHSA-N 432.425 4.535 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C 1540180451 OFNYLGYVCWUJKH-VXKWHMMOSA-N 440.657 4.939 30 10 IJEE C=CCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 1540357142 BLNPIJOZTIZXSM-UHFFFAOYSA-N 442.559 4.807 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1540866753 YXUNBNUGKONMNS-URLQWDBASA-N 448.398 4.569 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)c2nc(C)cs2)C1 1540887875 FSOWTVPIDDGRDW-WBVHZDCISA-N 444.004 4.948 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)C1 1543549891 BGCJCYCMUCXDNR-OKILXGFUSA-N 446.502 4.823 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 1543923814 BCWQTYDHKWNBDQ-DENIHFKCSA-N 440.588 4.916 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)CCC(C)C 1546626734 CRRFJEUVJUXWAO-PIBDYAPNSA-N 439.604 4.541 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1555141122 DZYPLOHJSHFWSQ-YLJYHZDGSA-N 446.020 4.779 30 10 IJEE CCCOc1c(OC)cc(CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)cc1OC 1559191878 BJJFDYZPPQFJRB-UHFFFAOYSA-N 448.567 4.945 30 10 IJEE C#Cc1ccc(NC(=O)CCN2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 1559870952 LPNBPCZVBCNNJN-OAQYLSRUSA-N 430.470 4.867 30 10 IJEE Cc1cc(F)cc2c(=O)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)c[nH]c12 1570552264 ADKWUDCQVNICSG-ZDUSSCGKSA-N 431.389 4.549 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2cc3ccccc3cc2NS(C)(=O)=O)cc1C#N 1583322979 BZZZISMWQYGFQD-UHFFFAOYSA-N 437.521 4.513 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(SCCOC)cc1 1585662246 XQVGGMLLZDZGPL-QAPCUYQASA-N 443.009 4.638 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 1586139612 GTWKYIMEVGYTMW-YOSAUDMPSA-N 434.580 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCSCC 1587586591 QSSYRFBCYXQJNG-CYBMUJFWSA-N 441.826 4.962 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 1587787751 QHMOLPCKBWUNQT-HOTGVXAUSA-N 437.371 4.581 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(CC)C1CCCC1 1589570357 UIUOPUVCJIVVPI-NTKDMRAZSA-N 440.588 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)c1ccccn1 1589663363 LXWOHYBEUGTAQG-OAQYLSRUSA-N 433.556 4.566 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1593796531 VHSPXHIUIZYTHA-YLJYHZDGSA-N 427.474 4.612 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](OCC2CC2)C1 1593817446 CDFGBHSBKPREBP-AEFFLSMTSA-N 434.943 4.705 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1593818540 UZLLPRLRSULOSE-AOMKIAJQSA-N 439.991 4.966 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1593900565 OLNNBYHNDHMBAH-MRXNPFEDSA-N 434.034 4.628 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1594409291 VJSRNLAHJMDNMT-RDGATRHJSA-N 438.616 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1594461209 MKPMDYKIYDSCED-ICSRJNTNSA-N 434.588 4.941 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1sc(C)nc1C 1595076246 YQIOFJGLBBKGDF-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCCN1CCC(C)CC1 1595156118 GGNABHGKEXQSJE-NRFANRHFSA-N 443.661 4.548 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)N1CCCCC1 1595200367 BDOXWHGIJDBCAO-UHFFFAOYSA-N 445.615 4.574 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1595659045 QYMSCHAKOJUBLH-UHFFFAOYSA-N 442.995 4.503 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C)(C#N)CC1 1595901472 XSSIZOPLSJOMOK-UHFFFAOYSA-N 427.643 4.928 30 10 IJEE CCOC(=O)c1ccc2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)sc2c1 1596849568 GLEFQVHQVUWLMI-UHFFFAOYSA-N 447.472 4.769 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1613593819 SGHPCFGWWNIZGL-MSOLQXFVSA-N 444.601 4.638 30 10 IJEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)o1 1613864836 CULPHWROEWAMNR-FXAWDEMLSA-N 448.571 4.651 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCCC)cc2)S/C1=N/c1ccc(O)cc1C(=O)O 1614232709 YWGJCQKIXHUKMA-QVAAVVQOSA-N 438.505 4.669 30 10 IJEE C#CCN(CCC(=O)Nc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1615535191 AQHZUJUMJNYDOD-HXUWFJFHSA-N 427.342 4.545 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cc2n1 1617520762 SXOOPWSIPBPFKF-UHFFFAOYSA-N 428.830 4.646 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3[C@@H](O)c3ccccc3)cn2)cc1 1622864454 FEKKIPQZENWZEB-UPVQGACJSA-N 428.492 4.866 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1623714337 IAYUEUYBJDWBCA-AWEZNQCLSA-N 427.526 4.584 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 1624192372 OQJOBRCWHDAZGS-IBGZPJMESA-N 448.592 4.842 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)CCCN1C(=O)OC(C)(C)C 1626117681 XHVRGXNIXJTKSP-QFIPXVFZSA-N 433.574 4.583 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CNc1cc(Cl)ccc1OC 1626553814 GZVCQZVDCMGZBH-UHFFFAOYSA-N 441.728 4.877 30 10 IJEE C#CCSCCNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1628385657 WZELSDUKXUOADT-SFHLNBCPSA-N 447.666 4.879 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)Cc3cccc(Br)c3)n[nH]2)c1C 1629713501 NCFJGKXAVKOADK-UHFFFAOYSA-N 442.361 4.501 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1648427528 WNWMZWARFDTKAO-IBGZPJMESA-N 440.569 4.794 30 10 IJEE COc1ccc(-c2nc(SCCc3ccccc3Br)nc(O)c2C#N)cc1 1651650827 NIOZZRWXVBFAJW-UHFFFAOYSA-N 442.338 4.827 30 10 IJEE C#CCN(C(=O)c1ccc(COc2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973761 VULHEOCSHQNMOT-UHFFFAOYSA-N 448.563 4.741 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(Cl)c2)cc1 1653096209 SHNSMPLBKYAKFF-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1C)c1ccc(F)c(F)c1 1655032324 XSOYEWBUFYYXPY-GOSISDBHSA-N 430.314 4.773 30 10 IJEE N#Cc1c(F)cccc1N1CCN(Cc2ccccc2OCc2ccc(F)cc2F)CC1 1657499471 GADOPWPSKXKYEG-UHFFFAOYSA-N 437.465 4.877 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC 1662574115 WDNUFZKPCBVLCV-FSPWUOQZSA-N 425.367 4.975 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)Cc1ccc(Br)c(F)c1)c1ccc(F)c(F)c1 1663462689 BQTMBKUDBCYUHB-KRWDZBQOSA-N 434.277 4.603 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc(I)s1)c1ccccc1 1665802831 MSDUIOVVDIQNPK-AWEZNQCLSA-N 447.363 4.729 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 1670162637 CKTUKHUYNLNMIL-WELBPKCISA-N 441.963 4.581 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1672542845 VDYXMKCZODKZTG-RBUKOAKNSA-N 448.405 4.702 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C(C)C 1675965084 YFSMXXSKHLMSKL-DLBZAZTESA-N 444.567 4.750 30 10 IJEE C#CCN(C(=O)NCC1CCC2(CC1)CC2)[C@H]1CCOc2ccc(Br)cc21 1684411234 GOLVRENGLYAVRT-IBGZPJMESA-N 431.374 4.888 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCO[C@H](C)C1 1690007798 JJMSOLZGEAAVMI-RTBURBONSA-N 448.567 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OC(C)(C)C)nc1 1690036174 YNWHCAWBILGKSM-UHFFFAOYSA-N 447.970 4.682 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1C[C@@H](C)C[C@H](C)C1 1690066228 CHHJBYUGMDEZDX-ROUUACIJSA-N 431.987 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC1CCOCC1 1690192690 CHZOJACLURHFGD-HFZDXXHNSA-N 436.600 4.844 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(F)(F)CC1 1690251718 YGYGPYMIQZWDRJ-KNQAVFIVSA-N 446.542 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](CC)N1CCCC1 1690258605 MCOLRLOLCKMSNP-FQEVSTJZSA-N 446.437 4.984 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@H]2CCCO2)CC1 1690301840 ZJKGXYARLHKJNC-BJKOFHAPSA-N 438.616 4.808 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1690412277 KMEJULJTLAVJFE-UUOWRZLLSA-N 430.543 4.897 30 10 IJEE C=CCCOCCn1c(N2C[C@H](C)S[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1690511431 ZZTPQVKCTMTZAO-BGYRXZFFSA-N 426.630 4.671 30 10 IJEE CSC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C#N)c1 1698329771 GBBYPSRJDHYOBN-WOJBJXKFSA-N 441.645 4.846 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCC1CCOCC1 1705478286 YZMBTIFOJVHHJP-ZWKOTPCHSA-N 430.980 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705483271 RCGCALLQCXACHR-FJIDUMEYSA-N 445.405 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(C)(C)C 1705492714 VTUMIXFTGLOVBW-GOSISDBHSA-N 431.625 4.677 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(CCc1cccc(F)c1)C1CC1 1705703084 QJYQOBPVOQSMDN-GBXCKJPGSA-N 426.580 4.808 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1OC 1705705239 FKQDFFDZSAWLRR-WIOPSUGQSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(F)cccc1Cl 1705718614 SGVWTOPAEANQJC-UHFFFAOYSA-N 438.938 4.760 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)N(C)C2CCCCC2)CC1 1705762495 AQIWBABPQRXGJB-HSZRJFAPSA-N 435.616 4.768 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705762553 CANXIKYHAHBUSP-UGKGYDQZSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705778017 XWGGVVVAFPEXKJ-RTBURBONSA-N 444.023 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOCC2(CCC2)C1 1705793613 DOKWUYLXRWJWFM-UHFFFAOYSA-N 438.616 4.681 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705826923 NOEAEEWPMAWHFY-UHFFFAOYSA-N 436.556 4.728 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1705945733 QUVPURKUZZHRSY-JOCHJYFZSA-N 426.630 4.693 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1722404076 PEOFHACADKDGFO-NFBKMPQASA-N 431.584 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CC(F)C1 1722490734 CJMSRUHWFVGKCW-WGPZSCIYSA-N 446.542 4.723 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1722592806 ZMDQNYSIAVHSIZ-IBGZPJMESA-N 442.629 4.935 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1722595750 ZEJFHRBLSMOBLB-GGAORHGYSA-N 433.600 4.896 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCCNC(=O)OC(C)(C)C 1722658397 IBYFPNCUGCVORS-UHFFFAOYSA-N 441.620 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1722668936 GQWZBEOUFPEDOH-UHFFFAOYSA-N 443.530 4.508 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1722688161 PDHWSSBNBLKKQZ-UHFFFAOYSA-N 448.615 4.941 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N(C)Cc2cc(Br)cs2)cc1 1722705094 URERHFYJXZLEHX-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(CC)CCC(F)(F)F)C1 1727722617 FOVYIXXGXPNXGQ-SFHVURJKSA-N 448.537 4.717 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1727758579 FUQKJOOJSHDKJS-FNZWTVRRSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)CCc1ccc(Br)cc1 1740593878 SXIANLHLAHUUAS-UHFFFAOYSA-N 443.414 4.785 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@@H](C)C1 1740647196 KDIMBLQRQCMHLE-SJORKVTESA-N 443.364 4.746 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCOC2(CCCCC2)C1 1740779874 IXFLOQAAXBWCPJ-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCCC2)CC1 1740790037 AUTLZFFBQKQAHY-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1740825245 KUPCZWQHBMDRRU-UYAOXDASSA-N 447.599 4.687 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1740873553 CFBPGFNBURZSKI-FGZHOGPDSA-N 428.552 4.575 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@H]1CCCCN1CC 1740916763 XBGSYWJEPQCQMP-DEOSSOPVSA-N 432.616 4.874 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1CCc1cc(Br)ccc1F 1740929207 LDWHMKWSGXAOIQ-UHFFFAOYSA-N 442.336 4.663 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCc1cccs1 1748648803 DHWYSRWKOOFYNL-ZDUSSCGKSA-N 433.350 4.609 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC2(CCCCC2)C1 1748724106 KNYFSFONRQPRBQ-UHFFFAOYSA-N 436.600 4.817 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1748738483 FZSLVKMTWKIEFW-QFIPXVFZSA-N 442.629 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CSCCS1 1749055520 KERCPKJITFEIHK-ZRCGQRJVSA-N 426.655 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1749129229 BRDRMIKTNNKREV-BQUSRXHISA-N 438.616 4.814 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1749132901 FNHPRKAEELYBBR-SIKLNZKXSA-N 426.948 4.733 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C)(C)CC1 1749140069 LNPOPUAJHJFIIZ-GCJKJVERSA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1749355184 CSSMJYYGZVDZJY-IAGOWNOFSA-N 430.618 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](COC(C)C)C1 1749358934 FAWVVVYMDQJFAV-SFHVURJKSA-N 432.996 4.831 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)c1ccccc1 1749382502 NCHXHOSZARJMNN-UNIVCBNLSA-N 448.615 4.637 30 10 IJEE C=CCCOCCn1c(N2CCC[C@H](C(F)F)C2)nnc1C1(c2ccccc2)CCC1 1749461010 LZGSDRUYZPUTTO-IBGZPJMESA-N 430.543 4.822 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C1CCC(C)CC1 1749657618 CLUVYALGCPCEAH-UHFFFAOYSA-N 436.387 4.569 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1750574237 FBJFRZCQTIHTAM-NRFANRHFSA-N 431.588 4.616 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CCC1 1760245106 REZCJZAHAZRERS-QGZVFWFLSA-N 444.670 4.503 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCc2csc(C)n2)CC1 1760393083 HNHYIJAADFFHRH-UHFFFAOYSA-N 441.626 4.743 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1CSC)c1ccccc1 1760419875 DYBZHSFSUQMPMI-DHIUTWEWSA-N 433.625 4.956 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(COC)CC1 1760433942 OWQLXGXSFRHFHZ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1760445256 FDJICEIIPMWNKT-OXQOHEQNSA-N 436.959 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(C(C)(C)C)n1CCc1ccc(OC)c(Br)c1 1760489194 OTDWFBJYKDEAHF-UHFFFAOYSA-N 433.394 4.768 30 10 IJEE O=C1NC(=NN=Cc2ccco2)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 1772724211 KHTBVPGWRIMIGG-HVHYMLJISA-N 439.500 4.726 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 1860725073 SRYDTIFSMPPLGO-NTEUORMPSA-N 433.460 4.726 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 1861426458 BMLNPKJNTIRISO-KRWDZBQOSA-N 438.547 4.964 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862393656 AGLOMHLNNOFSDN-FQEVSTJZSA-N 448.346 4.907 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1OC 1862416037 JVHXAKHGSJMLFM-OAQYLSRUSA-N 445.462 4.606 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC)cc1OC 1862423514 DYPOKLPPJPRPPM-NRFANRHFSA-N 445.462 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1862445561 YQAVFGNEWPXGBT-LJQANCHMSA-N 434.319 4.734 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)c1 1862525247 YBNJIPXZHHYLSB-LJQANCHMSA-N 444.325 4.692 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862583212 VQVVLTQRJFDOOC-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 1862715197 LFHGJMYZSXUXSY-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(Cl)cc2)C(=O)N(c2ccccc2C#N)C1=O 1863065456 PBKFFSVBCCXXJJ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 1863132692 QOHBBPHVVHHLOR-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCCOCC)C1=O 1863820835 JTFGCBNJWPIUHG-UHFFFAOYSA-N 425.573 4.625 30 10 IJEE C=CCN(CC=C)c1cc(N(CCC)CCC(=O)OCC)nc(-c2ccc(F)cc2)n1 1867983538 QNFFLIKMCLQTHB-UHFFFAOYSA-N 426.536 4.631 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCC)cn1C[C@H](O)c1ccc(Cl)cc1 1870678962 SMDVLXKOMTZTQE-DEOSSOPVSA-N 445.003 4.978 30 10 IJEE CC(C)OCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1 1871254148 UOUIMMNFEUWEQY-UHFFFAOYSA-N 431.536 4.726 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)c1OC 1871371487 SJWXPSNSFDIVKK-QRVIBDJDSA-N 446.455 4.613 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)cc(C)c3C2=O)cc1 1871381878 HCKAQTBADRFOBN-QRVIBDJDSA-N 444.439 4.764 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871824765 GHRAUZFAJNTAQE-YJBOKZPZSA-N 434.524 4.677 30 10 IJEE CC(C)CN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 1872766500 KISGFFZKXNCDKX-IBGZPJMESA-N 429.501 4.552 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2cc(F)c(F)cc2F)C1=O 1873239829 ZRNISOHQUUNNDH-UHFFFAOYSA-N 426.316 4.501 30 10 IJEE C=CCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2cccc(Cl)c2Cl)C1=O 1873341587 JIPMDDCSXIYJAS-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@@H](C)CC)cc2)=C(c2ccc(Cl)cc2)C1=O 1873357462 MLFLAFWAHROFEX-HNNXBMFYSA-N 438.911 4.673 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1cccc(OCC(C)C)c1 1873710644 OBYACJGJHMRHJM-UHFFFAOYSA-N 449.576 4.724 30 10 IJEE Cc1ccc(C(=O)N2[C@H](C(=O)Nc3cccc(C#N)c3)CS[C@@H]2c2ccccc2)cc1 1873866940 OIOOQBNKVZQRSN-WIOPSUGQSA-N 427.529 4.762 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(OC)c(OC)c1 1874248524 OURUQWWYMAVMJW-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874267267 OPAKVYKERKKSQQ-FSJBWODESA-N 425.945 4.996 30 10 IJEE C=CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc2ccccc12 1874277564 WYJSFNWUTNLWKN-KWXFCVSUSA-N 433.581 4.706 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874279243 BJBASLUTFQIHPS-FSJBWODESA-N 449.363 4.517 30 10 IJEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccnc2)cc1 1874345121 XPOBQGHXPDNUKH-WGOQTCKBSA-N 433.512 4.608 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccn2C)c1C 1874425824 CJCFULCESFNQLM-MFKUBSTISA-N 444.564 4.513 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874427519 OAAIHMVBGJGZQZ-WYMPLXKRSA-N 448.379 4.752 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(OC)c1OC 1874477731 GRXOQPDWBIUBMO-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)c1OC 1874482876 RYTBVZZHJDFIHL-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(F)c1 1874483411 UPJRRGJHJIBBPQ-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)c1 1874494563 STHUAKOEYUQBTQ-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)cc1 1874499086 XEBTYBIOMRULSC-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1/N=C/c1ccc(Cl)cc1 1874522145 DQDJAZLCUXZJBT-YDZHTSKRSA-N 427.961 4.669 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1OCCO 1874607834 IQLAGOLVHNIGTC-FPYGCLRLSA-N 425.706 4.768 30 10 IJEE COc1cccc(OCC(=O)Oc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)c1 1874695297 TYPQWRODDTYLIB-ZRDIBKRKSA-N 448.471 4.593 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OC(=O)COC 1875193567 PVJJOFUAHGBWHH-FNORWQNLSA-N 439.291 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@](C#N)(Nc2ccccc2Br)CC1 1888111140 CEHYKNXRPNOZFC-KRWDZBQOSA-N 430.293 4.790 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 1922068236 HJIAQGLNSWJVKL-VJBWXMMDSA-N 446.632 4.524 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](Cc1cncs1)NC(=O)OC(C)(C)C 1922091374 IWKDQUHWTMYGAZ-FGZHOGPDSA-N 445.629 4.720 30 10 IJEE N#Cc1cc(F)c(N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1Br 1948161294 DJDRXVMMFIRPMU-INIZCTEOSA-N 432.293 4.673 30 10 IJEE N#Cc1ccnc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1Cl 1959290195 RLNUNAKMQSFGTN-UHFFFAOYSA-N 448.910 4.879 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1991908311 BRTHCJWQIIJUFX-HOTGVXAUSA-N 429.508 4.703 30 10 IJEE C#CCCCC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2005505445 QMUQMEQUORMEEQ-ZEQKJWHPSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]2C[C@H]21 2008449807 VFSKBBOQDQVUEM-PMAPCBKXSA-N 431.508 4.859 30 10 IJEE CCOc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)C(=CNc1ccc(C)c(C)c1)C2=O 2040744676 YDZUKXFBZWEOBU-HXUWFJFHSA-N 448.441 4.623 30 10 IJEE O=C(NC1CC1)c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Cl 2079242800 FGONDIDLGAGQRW-UHFFFAOYSA-N 429.723 4.654 30 10 IJEE Cc1cc(O)c([C@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1C 2079944875 XYSMXQLFNGAQJP-INIZCTEOSA-N 441.313 4.562 30 10 IJEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C=NO)c2Br)cc1 2080074367 JTWYIDRMGNNQQS-LJQANCHMSA-N 434.334 4.892 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1nc(C(C)C)[nH]c1Br 2087656247 XAYQTUSVNXURGT-KGLIPLIRSA-N 429.403 4.806 30 10 IJEE N#C[C@@]1(c2ncc(I)cc2Br)CCCCC12CCC2 2133370383 AHUWLCMEUUPMLX-OAHLLOKOSA-N 431.115 4.954 30 10 IJEE C=CCN(CC(=C)Br)[C@H](CN)c1ccc(Br)c(Cl)c1F 2154378002 PGIWQMHFJHKDEW-GFCCVEGCSA-N 426.555 4.638 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 2159124136 GIAZCKHSBGXDMZ-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(Br)c(C#N)cc3F)C(C)(C)[C@@H]2C1 2174807425 BNLURBSECJMKCV-ZIAGYGMSSA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](O)C#Cc2ccccc2Br)CC1 2235739074 FQZKQNPVBMRAJH-IBGZPJMESA-N 436.390 4.835 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405397 QZBCKJJIMPDQOX-OALUTQOASA-N 437.422 4.913 30 10 IJEE CN[C@@H](C#CC1CCCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2251407979 QRJKUUPZLHFPHR-QHCPKHFHSA-N 426.601 4.612 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)C(F)(F)C1 2264435319 XKUPTRLSQZWMHJ-CQSZACIVSA-N 434.256 4.516 30 10 IJEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@]3(O)C=CCO)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 2294931048 RCOWGILQXUPXEW-NCPANSIKSA-N 447.619 4.932 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2cccc(Br)c2)CC(C2CCC2)C1 2296229749 MRRLMRSSZICBLJ-UHFFFAOYSA-N 432.358 4.843 30 10 IJEE C[C@H](C[C@H](O)C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296281788 OICDVEUYWCKCPG-IMFGXOCKSA-N 436.390 4.835 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C1CC2(CCCN2C(=O)OC(C)(C)C)C1 2296294355 SWUBFUWVQLBQMW-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@@H](N)C#Cc1ccc(Br)cc1 2296297567 AHAYZSTURMSXCV-YZGWKJHDSA-N 435.406 4.992 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)c1 2296865882 MGVPAFGCDMKGKZ-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccc(F)cc2)S1(=O)=O 2297378515 YTEYLGKMSLAACG-UHFFFAOYSA-N 442.537 4.936 30 10 IJEE COc1ccccc1C=C1SC(=NN=Cc2ccccc2F)N(Cc2ccco2)C1=O 2314840808 CGLFVFTXMWLSFL-UHFFFAOYSA-N 435.480 4.934 30 10 IJEE CCN[C@@H](C#Cc1cnn(C2CC2)c1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2318163913 LSGWFBAOTWGXFA-HSZRJFAPSA-N 436.600 4.765 30 10 IJEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)c(OC)c1 2322348133 JVXSYBGVAJHFQM-UHFFFAOYSA-N 433.504 4.658 30 10 IJEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cccc(Br)c1 2322464756 FAWMMVGHZBRSKF-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)OC)c(OCC)c1 2322916789 WFRWWFAPZXWKMU-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2cccnc2)C3=O)cc1OC 2323097959 BBKXRFFHNBBSQY-UHFFFAOYSA-N 445.471 4.643 30 10 IJEE C[C@H](NC(=O)COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 2323098325 VHLLOLBYEIEUKA-SFHVURJKSA-N 430.460 4.747 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccccc2)c1 2323332057 ONXAYCMFKKUIHD-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c1 2323511085 PVPONMZKTWQZPV-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1ccccc1-c1nnc(S)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2323524336 FSENHJVAGIIYPS-UHFFFAOYSA-N 444.516 4.734 30 10 IJEE O=C1C(=Cc2ccccc2F)Oc2c1ccc(O)c2CN1CCC(N2CCCCC2)CC1 2324209957 UVESVRYVKZXYNN-UHFFFAOYSA-N 436.527 4.598 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)o1 2325402455 YBHXFDDAQNCBTM-UHFFFAOYSA-N 449.415 4.868 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2326589220 ROUJTCVNQAGNJG-UHFFFAOYSA-N 430.533 4.909 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(OCC)c(Cl)c2)o1 2326838733 UWZZUVYNJHRNNE-UHFFFAOYSA-N 448.932 4.583 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2330794250 JNWQYLPVEIQHLX-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3F)c(OC)c2)cc1 2330954832 IBKWLBIYXLBGQK-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)c1 2331108635 HWZNGQXNDMAPCV-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE N#CCc1cccc(CSc2cc(I)ccc2Br)n1 2338400657 COJDHZNYIZKXRE-UHFFFAOYSA-N 445.123 4.807 30 10 IJEE C[C@H]1[C@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339578339 FUSXTVQVVBRAAE-KICKTSRDSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@H]2Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339581539 KKXXXZPMDHVUQE-IYPOZPNPSA-N 442.365 4.505 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339600815 UREVINGMPSXDEM-LUOJLBBYSA-N 444.381 4.751 30 10 IJEE N#Cc1cccc(COCc2cc(I)ccc2Br)c1 2341556744 GYEWPXCGFUCNSY-UHFFFAOYSA-N 428.067 4.642 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2352244347 ZEUFPWCQIUQGDW-QIXNEVBVSA-N 443.397 4.608 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2360197114 FXWIVZZMTBPPLR-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197950 ZOHNWFCIUPAOGT-BTHPGYMESA-N 433.390 4.567 30 10 IJEE Fc1ccc(COc2ccc(/C=N/Nc3nc(SCc4ccc(F)cc4)n[nH]3)o2)cc1 20424883 LQIDTBRBVBCTRQ-BHGWPJFGSA-N 441.463 4.993 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1OC 21226957 PNBQMJARPHVQIZ-FUHWJXTLSA-N 425.912 4.752 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(OC)c2OC(C)C)cc1 21258081 XCALJELOJDTEEO-GHTZIAJQSA-N 449.547 4.885 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2Cl)Nc2ccccc2OC)c1C 32972154 ZNEFGJQFYDSLPK-UHFFFAOYSA-N 439.947 4.580 30 10 IJEE N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1[N+](=O)[O-])CC[C@@H](c1ccccc1)C2 35174198 BQGLFGYTAJLDFR-QGZVFWFLSA-N 444.516 4.865 30 10 IJEE CCc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCN(CC)CC)cc1 35444756 PMPSTECTPFCEPZ-GOACCAMTSA-N 446.591 4.959 30 10 IJEE C=CCn1c(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nc2sccc2c1=O 36800073 PJNJDSDNPNVZHF-UYRXBGFRSA-N 437.590 4.617 30 10 IJEE C=CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCC1)CC2 37603044 BMMZJMGPVRBWAJ-FTJBHMTQSA-N 446.591 4.811 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 41659559 ZPNNRVARBGXQBH-MTJSOVHGSA-N 434.473 4.667 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(OCC)c2)nnc1-c1cccc(Cl)c1 59794705 JWFJGHULULAWQV-UHFFFAOYSA-N 428.945 4.914 30 10 IJEE c1ccc(C/N=C2/Sc3nc4cc5c(cc4cc3CN2C[C@H]2CCCO2)OCO5)cc1 101506706 YJLBDOISCUTFFU-WWDJGNSZSA-N 433.533 4.606 30 10 IJEE Cc1ccccc1N/C=C1\C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O 105337614 JCCSPPYOXKMQNZ-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)c1OCc1ccccc1 169938254 ARTMJVPOHHFDIK-QHCPKHFHSA-N 444.556 4.950 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccccn1 169946660 PHFOIKNNQYZQSH-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1cccnc1 169947092 KOCARGQPGZXBPW-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccnc2)c1 170012947 BEQMIKBPOWFFPU-FQEVSTJZSA-N 433.533 4.550 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2)c1 170054690 YVGWBFGUXDZING-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 170063724 JBNWZFHEFMVZFT-XMMPIXPASA-N 426.447 4.799 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc(OC)c1 170121214 YYMHLHUOMBKZRM-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccc(O)cc1 170137243 IRSXHBFTDNPYTR-IBGZPJMESA-N 434.517 4.812 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1 170188574 PPBHHDRXFOEDAL-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccncc2)cc1C(C)C 170201530 JUNTYKCXVZLUOM-HSZRJFAPSA-N 444.487 4.702 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)cc1 170204508 VSYWCKJXEYCVNC-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1cn(C)c2ccccc12 170269152 OZPQTJQPRKCVON-QHCPKHFHSA-N 432.520 4.955 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1OC 170299631 BYLGJZVBZFEDOV-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1ccccn1 170316703 AXRQPVKIDPOLFN-OAQYLSRUSA-N 446.528 4.555 30 10 IJEE COc1cc(/C=C\C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCC#N 208432178 LMMUMCQUDPKIAY-CLTKARDFSA-N 427.432 4.651 30 10 IJEE O=C(CCC(=O)c1ccc(Br)cc1)NCC#Cc1cccc(C(F)(F)F)c1 247751118 ALRHATJFTNDVFO-UHFFFAOYSA-N 438.243 4.599 30 10 IJEE CC1(C)C[C@@]2(C)CC3=C(C(=O)C(=NNC(=S)Nc4ccccc4)C(C)(C)C3)[C@@](O)(C1)C2 252619941 LURVMUUMTGQCDG-JWQCQUIFSA-N 439.625 4.976 30 10 IJEE COc1cc(C=NNC(=S)Nc2ccc(F)cc2)ccc1OC(=O)c1ccc(C)cc1 254311156 WZJQCONIQGKBIQ-UHFFFAOYSA-N 437.496 4.682 30 10 IJEE Cc1cc(Nc2ccc(I)cc2Br)c(C#N)c(C)n1 311815376 DVMKIFDPMQVUGH-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 471215006 GSNZNWOEDAQJEV-GXFFZTMASA-N 427.477 4.507 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1)c1ccc(F)c(F)c1 483309511 OYSONHIISBNHSR-NQIIRXRSSA-N 437.494 4.956 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C2CCCCC2)C1 508936356 QZZITAZSQHXAOP-FQEVSTJZSA-N 428.602 4.551 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1OCC 518277094 CWIMCTFOUXDOMD-CQSZACIVSA-N 434.330 4.992 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccncc2)cc1OCC 526607748 VKWQGVQLDJAYNO-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526808656 ZDBHGZHHALBILR-XKZIYDEJSA-N 425.514 4.630 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1c(C)[nH]c2ccccc12 526827346 VUVFMAVTZVOLGA-QFEZKATASA-N 447.564 4.981 30 10 IJEE N#Cc1cccc(-c2nnc(N3CC[C@@H](COc4ccccc4)C3)n2Cc2ccccc2)c1 558907248 NREGLAQMMROVAP-HSZRJFAPSA-N 435.531 4.770 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@H](C)OC)no1 573341870 WWAOMPJLECKFMJ-AWEZNQCLSA-N 448.980 4.527 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc(C3CC3)cc2F)nnc1-c1ccco1 579094425 UJTYVZNLVSKGKL-UHFFFAOYSA-N 426.517 4.539 30 10 IJEE CCCOc1ccc(/C=C/C(=O)OC2CCC(NC(=O)c3cccc(C#N)c3)CC2)cc1 586509417 DPUNPMMEAMCURL-OVCLIPMQSA-N 432.520 4.645 30 10 IJEE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NN=c1sc2ccccc2n1C 606347215 UCRXRSQUJBFEFA-UHFFFAOYSA-N 430.581 4.659 30 10 IJEE N#C[C@H](NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccccc1Br 611565549 WLWLKPUMUDPKQA-HNNXBMFYSA-N 434.265 4.845 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)N(C)C(=O)OC(C)(C)C 698488463 YSEPANABQBYXKC-GOSISDBHSA-N 433.549 4.974 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)n1 730829337 CNTPWJYWPXSKTQ-RTBURBONSA-N 447.589 4.696 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 735011984 CMJVRXMNZYNMFO-GOSISDBHSA-N 441.915 4.743 30 10 IJEE C/C(=C\C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1C(F)(F)F 743737774 ZHKAYUYAWVHQPE-NTCAYCPXSA-N 429.442 4.580 30 10 IJEE C/C(=C\C(=O)OCC(=O)Nc1ccccc1SCC#N)c1ccccc1C(F)(F)F 745272709 NKCGWVCZNBPXAJ-WYMLVPIESA-N 434.439 4.906 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1NC(=O)OC(C)(C)C 755731274 PMSZOTNHXGFHDN-UHFFFAOYSA-N 425.485 4.699 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CCO[C@H](c3cccc(OC)c3)C2)c1=S 765149610 LVAFTTJFVGOMHP-QFIPXVFZSA-N 436.581 4.615 30 10 IJEE CCc1cc[n+](/C(C(=S)NCCCCC(F)(F)F)=C(/O)c2ccc(C#N)cc2)cc1 794847696 UNKXQPMTBFDBSI-UHFFFAOYSA-O 434.507 4.942 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 809895512 WFFGGHNGHJDYBX-REWPJTCUSA-N 445.567 4.581 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1ccc(OC(C)C)cc1 917879655 UHBPWVLBBJOSHQ-HXUWFJFHSA-N 445.382 4.755 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1 1125249055 FZDPUQMWPPDCKV-UHFFFAOYSA-N 448.954 4.963 30 10 IJEE C=CC1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)CC1 1126181864 RQECFTXMSMKOTB-JYFHCDHNSA-N 432.564 4.913 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1127429409 FDLNOLFDEUSNRD-KRWDZBQOSA-N 447.000 4.562 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccc(F)c(F)c1 1128141954 RFPHYAMYYIPEGC-QHCPKHFHSA-N 441.499 4.986 30 10 IJEE CC(C)(C)CN(CCC#N)C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1136699551 BWJFUYHDXKQHEZ-LJQANCHMSA-N 427.545 4.657 30 10 IJEE C=CC1(CC(=O)Nc2cccc(-c3nc4ccc(C)nc4[nH]3)c2)CN(C(=O)OC(C)(C)C)C1 1152391582 FSYFFKMAKLLQLQ-UHFFFAOYSA-N 447.539 4.685 30 10 IJEE CCc1nc(C#N)cc(Sc2nc3scc(-c4ccc(C)c(C)c4)c3c(=O)n2C)n1 1162042646 BYACRUBNHITIOR-UHFFFAOYSA-N 433.562 4.654 30 10 IJEE C=CCOc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1Cl 1178904115 PAMBPGZTYJLBQK-OAQYLSRUSA-N 427.976 4.683 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C 1184577612 MZLQFUXSDPHXLV-UHFFFAOYSA-N 442.393 4.926 30 10 IJEE CCCc1c(NC(=O)Nc2cc(C#N)ccc2OC(C)C)cnn1-c1cccc(C#N)c1 1199048069 FRCITDOHJQQJNY-UHFFFAOYSA-N 428.496 4.999 30 10 IJEE COc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1210637191 DWWBXTRQZKUBBP-QGZVFWFLSA-N 426.460 4.651 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 1220359220 DNJABKPCQCEFIK-UHFFFAOYSA-N 439.519 4.962 30 10 IJEE Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C 1226111121 HPRZKSFZEYQEME-ZEQRLZLVSA-N 430.552 4.607 30 10 IJEE COc1cc(C#N)ccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1267665114 BBASOSSQCREZHZ-QVKFZJNVSA-N 443.906 4.686 30 10 IJEE Cc1ccc(Oc2ccc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)nc2)cc1 1270685275 DWTYNOQLRCCAFY-UHFFFAOYSA-N 432.911 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(F)c(Cl)c1 1286306482 UPDIRRWGGBWCLU-XAUMDUMWSA-N 448.970 4.526 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1286318797 QZRJTFWXBKFCBZ-LJQANCHMSA-N 440.588 4.550 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCC1CC1 1286628412 HHTQPFWNJPXBAG-GOSISDBHSA-N 438.016 4.772 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCCCCC2)CC1 1286664334 UPIZDPPHGAPXIK-UHFFFAOYSA-N 445.007 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286669190 XSALGUDMUQXZDP-UHFFFAOYSA-N 444.023 4.896 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1286708592 VYPDEDDMZRJLDV-PMACEKPBSA-N 445.007 4.834 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 1296415711 AMLIBYJYANTBNQ-SFHVURJKSA-N 436.955 4.714 30 10 IJEE COc1ccc2cc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)sc2c1 1297320862 BGGPMCHJRRMEHI-LJQANCHMSA-N 425.941 4.586 30 10 IJEE CN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1298507764 DZEKJQYWUGUZCZ-UHFFFAOYSA-N 426.446 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(F)F 1300872604 BOCOPUWYVIXXNG-UTKZUKDTSA-N 427.499 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1300883414 APAWOQWQKQLBOL-OPYAIIAOSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cccnc1OC 1300899262 CMMCQIALZMIKRA-KRWDZBQOSA-N 441.963 4.926 30 10 IJEE COC(=O)c1c[nH]c2cc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)ccc12 1301007774 FGJPDKGJHZAOCW-UHFFFAOYSA-N 425.444 4.657 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(COC)CCC2)CC1 1301109556 LCNYZNAXPUSEFV-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](C)N(C)C)CC1 1301135134 STAHFCBYGJSQMH-FQEVSTJZSA-N 425.621 4.641 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1301190071 MBQZXLIOMOGAJO-NRFANRHFSA-N 437.632 4.544 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](COC)C1 1301207943 JSTZMXHIGTUVQM-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301207999 KURUTYHMQKKGPQ-DYLHXGEVSA-N 438.616 4.982 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1301237027 MEUSQBSADWVCFN-NHCUHLMSSA-N 430.980 4.699 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2F)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1301287202 WJOBHSLUODCQEC-GOSISDBHSA-N 443.567 4.886 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccnc(C(F)(F)F)c1 1301309118 OGOBUBRFNDJONX-UHFFFAOYSA-N 431.462 4.558 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C 1301346481 DAPVKUKAHUGPLC-QHCPKHFHSA-N 430.600 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1Cc1nc2cc(Cl)ccc2s1 1301394596 PHMFGNRPTGYESU-UHFFFAOYSA-N 436.972 4.754 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ncc(Cl)n2C)cc1 1301525481 ITHUCHCLJGQTBB-UHFFFAOYSA-N 442.995 4.503 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)c2ccc(C)cc2)C1 1301566479 OLAFJCLTHKFHMC-AVRDEDQJSA-N 437.613 4.527 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)C(C)C 1301597439 QWKVUMRHIGEWRS-UHFFFAOYSA-N 439.423 4.870 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1301615776 WEKMIKABWOFXFD-UHFFFAOYSA-N 449.624 4.576 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1301620432 FWMREUJZZXWFRE-MOPGFXCFSA-N 432.659 4.723 30 10 IJEE O=S(=O)(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1C[C@H]1c1cccc(F)c1 1309393142 DPPXNHQYRGFWCI-CWRNSKLLSA-N 441.368 4.923 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(c2ccncc2)C[C@@H]1C 1310255195 DVXQYOUEAUISDY-FQEVSTJZSA-N 441.535 4.583 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@H]1CCC2(CCC2)O1 1313335634 ZLKDDGGZJPUCPQ-QGZVFWFLSA-N 425.342 4.778 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1 1349285921 MJFQETWPJOKOGB-AUSIDOKSSA-N 426.582 4.796 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1353386309 DKHPGSPURXOIDS-UHFFFAOYSA-N 432.630 4.848 30 10 IJEE CC(=O)NC[C@H](CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)CC(C)C 1353493870 BRVVRQCASGCGOH-NRFANRHFSA-N 425.960 4.933 30 10 IJEE C=CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(OCC)cc2)nn1 1353587010 OKKPJBVCJBEOME-UHFFFAOYSA-N 432.402 4.926 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccnc1)C(C)C 1359071122 FBIDMDWCNQPMGT-JYFHCDHNSA-N 431.559 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1359103685 RFTKKOYRGRWPGA-RDPSFJRHSA-N 442.579 4.776 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359124539 LYMCGRAFEXHCHI-QGZVFWFLSA-N 439.551 4.528 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](C)C1 1359129160 SVIZZVZGTRTKBF-HXUWFJFHSA-N 436.556 4.946 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC(F)C1 1359145646 XXLPPULPZNSNTR-UHFFFAOYSA-N 427.749 4.953 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359199101 KWCSYFODEYQAHT-UHFFFAOYSA-N 435.572 4.742 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1359202084 IKWRLZAFBOURJH-RTBURBONSA-N 434.588 4.514 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)c2ccccc2)CC1 1359223245 FCYZZADEDNNTDJ-UHFFFAOYSA-N 435.572 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C(C)(C)C)cs1 1359268870 GLSLUTTVPYGDJU-UHFFFAOYSA-N 428.993 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1C 1359270368 MPDFARNNXJCKJO-UXHICEINSA-N 446.599 4.851 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)[C@@H](C)CC)C1 1359316665 TWMQSQBZRALXKJ-WSNOQYBDSA-N 440.632 4.821 30 10 IJEE C=CCCc1ccccc1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O 1436019124 IWGJZODUENWASR-UHFFFAOYSA-N 425.573 4.661 30 10 IJEE C#CCCOc1ccc(C(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 1452901435 SOXWMVWRHBUMSJ-QFIPXVFZSA-N 448.563 4.965 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1OC 1458324648 ZFKUSSBIGJLVBU-RCZVZRIZSA-N 446.459 4.909 30 10 IJEE C#CCN(CC)[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 1459604639 ARNQTESMHHGNBY-VGSWGCGISA-N 438.593 4.685 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(-c2ncnn2CC)cc1 1460780032 CCZPDNKRBRUVJN-UHFFFAOYSA-N 427.302 4.545 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1I 1461530497 IXIZZLPKARMGPV-BXUZGUMPSA-N 448.142 4.918 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@]3(c4ccccc4)C[C@@H](NC(=O)OC(C)(C)C)C3)cc21 1463119101 MKXHUPUENJSWSM-WVPZODRTSA-N 446.551 4.786 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CCC 1464571945 DUZNKGMWCYOLMJ-KOSHJBKYSA-N 431.536 4.668 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1)c1ccncc1 1468884280 MPVXITTYWDNZNM-JOCHJYFZSA-N 431.515 4.884 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)c1ccccc1 1471200532 OYPXXTUGYCGIGK-NRFANRHFSA-N 427.495 4.530 30 10 IJEE C=CCSc1ccccc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1471738476 JAQKGVGAPWTIFM-GOEBONIOSA-N 444.519 4.740 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)c2cc(OC)ccc2O)cc1OCC 1474196218 NWHZJBOQJTVDSR-CQSZACIVSA-N 436.346 4.978 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 1477620048 ASZVDCXVRYIEKO-FQEVSTJZSA-N 439.441 4.640 30 10 IJEE C#CC[C@@H](NC(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1)c1ccccc1 1478246759 XBLJOXHFJJHQFE-HSZRJFAPSA-N 435.568 4.530 30 10 IJEE N#Cc1ccc(C2=CCN(c3nnc(C4CCC4)n3CCSC(F)(F)F)CC2)cc1 1505316340 BLKMFAZYIMERAW-UHFFFAOYSA-N 433.503 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1507526048 AFDTUFAVIRBACR-QGZVFWFLSA-N 446.624 4.891 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1507568063 QFJIYQUROASRHS-NRFANRHFSA-N 426.992 4.579 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@H]1CCO[C@@H](C)C1 1507655002 XLMWKVTZKNVGOH-XZOQPEGZSA-N 448.611 4.567 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1ncc(CC)s1 1507679467 NEFAWWQDMCBHRA-MRXNPFEDSA-N 444.004 4.793 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCSCC(C)C 1507763024 JIEFBYVEUWESBP-XMMPIXPASA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@H](C)C1 1507764618 NVVIIYYHGKIVKL-XAJLNHFYSA-N 449.643 4.759 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccccc1OC 1507783136 CELBUKSZYWRJPH-PKOBYXMFSA-N 447.377 4.778 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1507827651 ZQURGAGHRVRWBA-YJBOKZPZSA-N 431.968 4.524 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CCCC2)C1 1507838662 GVXZOYIXCOFBMV-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1507846752 WNEIGSZJHPTXKE-JOCHJYFZSA-N 437.613 4.876 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1507855783 ZUVFXIBYBARGAB-UHFFFAOYSA-N 439.869 4.599 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(COC)CCCC2)CC1 1507909118 RKNPBYQYNWEHSH-UHFFFAOYSA-N 449.599 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccccc1)C1CC1 1507910425 RKNUZRZKXLOHRQ-UHFFFAOYSA-N 430.556 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@]1(OC(C)C)CCOC1 1507919512 PFFUJZIZQROOMQ-NRFANRHFSA-N 443.419 4.820 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](OC)C(C)C)C1CC1 1507989986 GMEDPNVQMHCPDK-GOSISDBHSA-N 437.357 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCCc1c[nH]nc1C 1508014082 VHEBIIRFIDRXMU-UHFFFAOYSA-N 441.377 4.550 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@](C)(CC)O1 1508014582 BGPVFDSEBJIXDD-UWJYYQICSA-N 448.409 4.572 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C 1508161405 LTCWCUBBBQFHMO-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C=CCC[C@H](C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1514716158 ASFREHUHJSVHCM-PZJWPPBQSA-N 441.369 4.729 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@H](F)C1 1515636847 ICCFWFNPWJEKQW-OALUTQOASA-N 439.560 4.955 30 10 IJEE Cc1ccc(C(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)cc1C#N 1521780709 GVZSJTPJGBBDOA-UHFFFAOYSA-N 429.495 4.547 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 1523604080 YMQDZMLYGZLABO-ZRDIBKRKSA-N 427.522 4.639 30 10 IJEE Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)c12 1526174845 GGCQGMBOJBAJFV-GFCCVEGCSA-N 428.414 4.982 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2C#N)C1 1526913366 BWYVKDVUWYSWCJ-ZBFHGGJFSA-N 430.595 4.526 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1 1533777977 BBVBYXZCUVLAAS-UHFFFAOYSA-N 443.450 4.976 30 10 IJEE C#CCC(C)(C)C(=O)Nc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc(Cl)c1Cl 1533937996 CFIDUPVKMRGTGQ-INIZCTEOSA-N 440.415 4.688 30 10 IJEE N#Cc1ccc(C(=O)N2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)c(F)c1 1535006525 GNYRRSUSLBSISU-CYBMUJFWSA-N 432.268 4.618 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(F)(F)Br 1538971361 GVYHBLCBJLEXGR-NWDGAFQWSA-N 447.711 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)C(C)C 1539030524 RRYUVKVMWWSDHY-INIZCTEOSA-N 433.394 4.760 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1539035729 MPLQHXZOHBFOMM-HXUWFJFHSA-N 430.470 4.659 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1539097417 MHTUWDXLBFZGNC-ICSRJNTNSA-N 438.572 4.543 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)C1CCCCC1 1539117147 USEREJMPQPEEEN-UHFFFAOYSA-N 446.599 4.808 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCCC=C 1539305823 QOJROUQILRIBMG-UHFFFAOYSA-N 425.374 4.835 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccccc2F)C1 1539346817 KYRYRHPCFFIWMO-KOMQPUFPSA-N 442.336 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C)CC1 1539625239 ZUCFHHLMCYBTDZ-OFNKIYASSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1539686391 SCYZGTCRQXMQED-LJQANCHMSA-N 442.361 4.580 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 1539846901 YXEDIGXMFQAJBD-UHFFFAOYSA-N 445.901 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N(C)C(C)=O)CC1 1539911302 ZRUYNGAWJRVTGR-UHFFFAOYSA-N 429.996 4.648 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1539966999 CESKPPPSVZCKEC-JOCHJYFZSA-N 425.596 4.677 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCOC[C@@H]1C 1540056558 LURCZTBLIHYSJJ-KBPBESRZSA-N 439.785 4.656 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1540119526 KUTSEBJERBSNCH-UPVQGACJSA-N 445.567 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1=CCCCC1 1540155441 WEVNBFXLKSPRTD-UHFFFAOYSA-N 425.964 4.540 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CC(C)(C)c1ccc2c(c1)OCO2 1540174263 KDICZHPRFHWHIJ-UHFFFAOYSA-N 436.581 4.815 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCSC1(C)C 1540187411 POWUGRXOKWZVJJ-FQEVSTJZSA-N 437.613 4.624 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1CC 1540191659 OBHBFRAZUIEXQI-QHCPKHFHSA-N 439.648 4.756 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC2CCCC2)C1 1540883670 CROXUBJPCGHNIP-GOSISDBHSA-N 448.409 4.787 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)N1CCCC1 1541303234 CPJPWBQWARBXAY-OFNKIYASSA-N 434.632 4.810 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 1542132625 RBGQZXAXGOETJP-WIYYLYMNSA-N 443.588 4.889 30 10 IJEE COCc1ccc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)o1 1555308128 AWTGRCDLEVDLEB-LJQANCHMSA-N 441.482 4.943 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)c1ccc(F)c(F)c1 1561487850 SXGXDCWFEQQOQI-ZUOKHONESA-N 445.915 4.628 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)C1 1564502208 BHRMUDYJSCFRFB-AUSIDOKSSA-N 435.568 4.851 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cc1OC)c1ccc(F)cc1 1564996518 ZNRHMTUJJCRQDB-MOPGFXCFSA-N 431.305 4.818 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1566301985 HBTKACOTPAVCCX-JOCHJYFZSA-N 432.471 4.639 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 1566867003 CLDVIXHSZVGPNQ-IBGZPJMESA-N 432.561 4.508 30 10 IJEE C=CCOCCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1586440067 VWUUEWGHXKNYBU-UHFFFAOYSA-N 432.549 4.780 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCC2(CCCCC2)O1 1587562392 OOQQPBQWHHFHLC-ZCNNSNEGSA-N 440.563 4.897 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCCN1CCCC[C@@H]1C 1587668429 ZGCRCBSORGQUER-PKTZIBPZSA-N 437.632 4.586 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1587679296 ZRWPSTUIDUAEHQ-IRLDBZIGSA-N 449.624 4.767 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1587813766 VCCXAQPUOJTLRX-KRWDZBQOSA-N 427.474 4.994 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1oc(CC)nc1C 1588271902 QZVDTQBLIXNYLO-UHFFFAOYSA-N 442.567 4.719 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(COC)CCC1 1589150383 FKYBTIVHIUMEPT-SQJMNOBHSA-N 436.600 4.844 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)c1ccccc1 1594543488 ATNQFFZGXFSCSG-XUZZJYLKSA-N 432.616 4.639 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1594552607 PBOUFIPGWAENIJ-RZUBCFFCSA-N 433.625 4.954 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1594559176 GPPNQTIPDRVCMC-XXBNENTESA-N 445.995 4.514 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CCC)C1 1595127448 POXPTUGAIPNYGK-OAQYLSRUSA-N 448.590 4.712 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCCC1 1595133015 BLPADEATIOLEEM-REWPJTCUSA-N 441.595 4.583 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N1CCCC1 1595243555 ADBMQIFAZLRFCH-NRFANRHFSA-N 437.588 4.834 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(C)cs1 1595658914 NFXPRETWHLUFFY-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1)OCC 1611078028 SWDBPXABMRUWMM-UKILVPOCSA-N 426.988 4.945 30 10 IJEE C=CCn1cc2ccc(NC(=O)C3(c4cc(Br)ccc4OC)CC3)cc2n1 1617520170 DETBPRXRZUPBQK-UHFFFAOYSA-N 426.314 4.664 30 10 IJEE N#CCCN(CC1CC1)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCSC1 1620358837 GQGLUGGCYVSHGM-SFHVURJKSA-N 446.020 4.784 30 10 IJEE C#C[C@H](NS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F 1622121323 DOCBYGQDNCCHLC-SFHVURJKSA-N 433.854 4.724 30 10 IJEE COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(OCc3ccccc3C#N)cc1)CC2 1625394340 GCNKSBWPONWCDV-GOSISDBHSA-N 442.515 4.914 30 10 IJEE C=C(CN(C)C)C(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1629814632 DIHPYORFSUTZAB-LJQANCHMSA-N 439.756 4.759 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)c1 1633779993 HWEJZWLDYBMQPM-QHCPKHFHSA-N 425.594 4.908 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1 1634827396 BRTZZNLBEQTFIV-LJQANCHMSA-N 447.556 4.650 30 10 IJEE C#CCN(C(=O)NC[C@@H](OC)C1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1637282660 LLGCMEWFGALMBK-TZIWHRDSSA-N 449.389 4.513 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@H](C)C3(CCC3)C2)nnc1-c1ccc(Cl)cc1 1637327701 APCUYHOFJANKGS-INIZCTEOSA-N 431.005 4.915 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OC)nnc1-c1cccc(Cl)c1 1643805401 FALDVJSVIGXOMX-SFHVURJKSA-N 431.920 4.800 30 10 IJEE C#CCN(C(=O)c1cccc(-c2csc(C)n2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454910 RCMKEWXYPOQZNC-UHFFFAOYSA-N 439.581 4.593 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C(CC)CC)N(C)C 1649540405 VPRXHDSDAQZLRE-OXQOHEQNSA-N 446.437 4.532 30 10 IJEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@@H]1CCCc2ccccc21 1652653258 MRCQBIOPBQEDKI-RUZDIDTESA-N 444.556 4.640 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccn1 1652709952 NYJISFCLAKRFSG-INIZCTEOSA-N 434.443 4.551 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(C)c(F)cc1F 1653969011 FMFIHMZQIJVKKG-UHFFFAOYSA-N 434.277 4.552 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 1655025237 JRENCENJGKVNRY-UHFFFAOYSA-N 435.492 4.915 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)ccc1OC 1657148330 CJZBNOXLKWITOJ-TYPHKJRUSA-N 430.589 4.918 30 10 IJEE C#CCn1ccc(CN(CC)C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)n1 1658504546 CXWXDKNVIWAAEE-QHCPKHFHSA-N 438.369 4.501 30 10 IJEE C=CCOCCCNC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1658690559 DOGSOSJPDGOGPE-UHFFFAOYSA-N 435.446 4.980 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c1 1662186621 BXHVJKSSZQSHIM-CFGKVWFZSA-N 445.382 4.967 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1666136567 NGQURPYRKXODAI-DEOSSOPVSA-N 448.629 4.750 30 10 IJEE COc1ccc(Cl)cc1[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)cc1C#N 1667407755 ARDSOGNMNZIOIZ-KRWDZBQOSA-N 427.353 4.939 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1 1667540068 CZTWKVOHXLHORC-NQIIRXRSSA-N 437.540 4.969 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)cc1 1667593607 IYTNOZZMSWOBSY-QGZVFWFLSA-N 437.849 4.691 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)s1)c1ccc(C(F)(F)F)cc1 1668172584 PBDDNCISMRPOIL-CQSZACIVSA-N 433.473 4.539 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)c1 1669079574 VPXSKVRXBULNAO-HXUWFJFHSA-N 427.342 4.994 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(F)c(OC)cc1OC 1669264878 ZOWKDWSIOHXZRJ-UHFFFAOYSA-N 441.272 4.965 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 1671036993 GONCGRXQVKRRFU-SFHVURJKSA-N 430.932 4.984 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@]1(CO)CCc2ccccc21)c1ccc(C(F)(F)F)cc1 1679305512 OQHKEAUBKSMIMI-GMAHTHKFSA-N 432.486 4.888 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccnc(OC(C)C)c1 1680907384 VTGXPAHDUMBLFP-UHFFFAOYSA-N 436.325 4.668 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 1682317063 FRVRMCOCTFXXQE-LJQANCHMSA-N 444.760 4.992 30 10 IJEE C=CCCC[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)c1ccccc1 1682943376 WZZGPIHRBYXGSF-FQEVSTJZSA-N 444.373 4.576 30 10 IJEE C#C[C@H](NC(=O)NCc1cn(C(F)F)c2ccccc12)c1ccc(Br)cc1 1686920504 ZMDYTVQWMSKEII-KRWDZBQOSA-N 432.268 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCCC 1689855046 MZVOQNBGIAGLAQ-UGKGYDQZSA-N 428.024 4.635 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CCCC1 1689920865 LWMZZJSREXAUST-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1Cc1cc(C(CC)CC)no1 1689957333 ZZYQIYWFXSPXBK-UHFFFAOYSA-N 442.361 4.717 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCc1ccsc1 1689972130 FUOQPQVLGOZKCC-UHFFFAOYSA-N 428.989 4.625 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@@H](C)Cc2ccc(OC)cc2)nnc1C(C)(C)C 1690252192 AVUDUGVTCWTOIL-WPYKKVEZSA-N 440.632 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1C(C)C 1690255598 SYNQFRUSGHOJPD-LXHROKJGSA-N 430.637 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1COC 1690257939 YXUJVNHNHLLTOM-UHFFFAOYSA-N 444.377 4.633 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 1690273285 LRAAATDNUTUIBJ-GOSISDBHSA-N 438.601 4.724 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC(F)(F)F)CC1CC1 1690276103 JFZNWTZKCYPKGV-UHFFFAOYSA-N 432.288 4.781 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCn1ccnc1C)C1CC1 1690549908 MUTCQTDWIXHGEK-UHFFFAOYSA-N 447.370 4.524 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C 1690603547 DEFAKKVGKKGGGU-FGZHOGPDSA-N 426.605 4.816 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1690632998 BCTCYJDYRZVSTK-AWEZNQCLSA-N 429.284 4.981 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2ccco2)cc1 1696140017 GJYULRLEEQCJHW-SFHVURJKSA-N 435.528 4.588 30 10 IJEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1696700854 AQAZLFFLFLFXTD-JTHBVZDNSA-N 444.583 4.689 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSC(C)(C)C1 1705543276 BBFTUMHFRNRBBP-UHFFFAOYSA-N 439.412 4.909 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H](C)N1CCCCC1 1705604458 MOEYFCHMHJHXBA-UXHICEINSA-N 444.023 4.796 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(Cl)s1 1705666833 YCCLOCXGYQFFTF-UHFFFAOYSA-N 447.029 4.883 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCC1CC1 1705697259 KOEPFDFRMKOKRN-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)CCSC 1705703986 QEJLJCMISPWUEA-WFXMLNOXSA-N 430.618 4.513 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)C2CCCCC2)CC1 1705772832 VXPUSVFDFBIUBS-UHFFFAOYSA-N 444.023 4.931 30 10 IJEE C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCOC(F)(F)F)CC1 1705779598 OYKJUHBIZDYQCX-UHFFFAOYSA-N 433.478 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)C)CC1 1705794461 JJBNBKWJLFFGSH-UHFFFAOYSA-N 439.648 4.997 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705800537 AKRJKTIIDVFMJX-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1705826008 KWYLUHKBSRAJOQ-PXNSSMCTSA-N 445.405 4.988 30 10 IJEE C=CCCOCCn1c(N2CCS[C@@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1705832748 GZKUMGXYSKSNQF-JOCHJYFZSA-N 440.657 4.919 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncnn1C(C)(C)C)C1CC1 1705850194 KSPRSNVCHOXBQA-UHFFFAOYSA-N 446.386 4.802 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCc1cccnc1 1705865843 YQJVQXJQCIIFKO-UHFFFAOYSA-N 436.972 4.885 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705883455 IYPUQXBXNSBDNA-WMZHIEFXSA-N 437.588 4.516 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@H]1CCCCO1 1712792740 CGFKVEJWSBEUJE-WIYYLYMNSA-N 427.618 4.744 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1722326529 IGMURPTYUNJSDC-CVEARBPZSA-N 431.378 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1ccccc1 1722379924 QRRFGQYJIUZOKX-FQEVSTJZSA-N 428.605 4.837 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCSC1(C)C 1722408455 HABFGYQIDXGULK-LJQANCHMSA-N 442.629 4.734 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](C)c1ccc(OC)cc1 1722416781 SMTYMPFKWRUBQJ-UEVCKROQSA-N 438.616 4.859 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1Cc1cccs1 1722462457 MLYMDKFTJRYHPB-SFHVURJKSA-N 428.652 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)Oc1ccc(Cl)cc1 1722516327 XMPBSQGGOYSLGU-LJQANCHMSA-N 442.995 4.663 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1722529206 WELBRLKQWCOSGO-FQEVSTJZSA-N 437.975 4.655 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)C1 1722530802 JQYYFNINOFACGX-CQSZACIVSA-N 439.785 4.800 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1722597845 SVEOUHICLUVACN-TZIWHRDSSA-N 442.629 4.721 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1722630072 UPVMKDLJDRVURL-HSZRJFAPSA-N 444.595 4.549 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1OCC(F)(F)F 1726964183 BFSLUYHGZJIOJI-HRAATJIYSA-N 435.494 4.911 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1740585048 USDQXFVQVNDODG-ICSRJNTNSA-N 442.007 4.533 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](CC)C1 1740721308 FCDXSBQXTQTIDH-HXUWFJFHSA-N 426.630 4.892 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)CCC 1740758191 VEPDOACBXFASAD-JTAQYXEDSA-N 434.588 4.737 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1740848669 OCXRZLADMAYDIA-OXQOHEQNSA-N 448.970 4.755 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740888547 OSOKPYFCLUWPAJ-UXHICEINSA-N 428.552 4.605 30 10 IJEE C=CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCSC1(C)C)C1CC1 1740912840 UMKNBVCNMPQQJD-LJQANCHMSA-N 426.630 4.758 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@]1(C)CCCS1 1740915285 AGTHVYPCRWNTFG-XMMPIXPASA-N 435.597 4.827 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N 1741123928 CDXTYKBQZMWGIH-IIMDRIAPSA-N 445.995 4.728 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)[C@H](C)CC#N)c1ccsc1 1746077030 BUYHJQQIMMIUHS-DYESRHJHSA-N 440.592 4.967 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCSCc1ccccc1F 1748656585 TVOCRDZJKUNPKB-OAHLLOKOSA-N 429.952 4.524 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1748708118 VWMCVOMCVOWDCA-IBGZPJMESA-N 448.571 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)c1c(C)noc1C 1748770794 GKKGGKKDSIUGGS-KRWDZBQOSA-N 442.567 4.831 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1cccnc1 1748828794 MFLLJOQRSOUBOY-UHFFFAOYSA-N 431.952 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](OCCC)CC1 1749125773 XVMCGAMTNIEKFR-JTAQYXEDSA-N 442.579 4.851 30 10 IJEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1C(F)(F)F 1749198606 OGVSAPSACRTNAK-UHFFFAOYSA-N 440.473 4.748 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749209496 ZXLUZQJZAJMCSD-SVFBPWRDSA-N 428.577 4.854 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@](C)(CC)C1 1749218374 MWXOUQFUJFLNEE-OAQYLSRUSA-N 439.387 4.850 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 1749280325 HJLPEIDOXXYDLY-CHWSQXEVSA-N 431.751 4.530 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(C)CCCO2)CC1 1749347081 IEMMHZSBUSZEHY-QHCPKHFHSA-N 428.602 4.551 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(C)(C)C)CC1)c1ccccc1 1749382656 OGTNXOGUIZDMOA-QFIPXVFZSA-N 432.616 4.944 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C(C)C)C1 1749414244 CNHCGGMWSWXLSJ-LJQANCHMSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1749430901 UNEJEBFVZJTBHA-GOSISDBHSA-N 429.977 4.523 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1749690137 NSJLJLPSEWEVBS-IBGZPJMESA-N 443.473 4.732 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCSC1(C)C 1760196606 JVTXSDQUWNKBCY-LJQANCHMSA-N 438.666 4.880 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1c(C)coc1C 1760212857 HEYQGICKPAHHIL-KRWDZBQOSA-N 432.593 4.852 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(Cc1ccco1)C(C)C 1760320393 UTMSHIGVVUFOIK-WMZHIEFXSA-N 436.556 4.943 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1c(C)noc1C 1760341055 XTEQPIPNBLVHEQ-QGZVFWFLSA-N 434.544 4.540 30 10 IJEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCN(C(C)C)C(C)C)CC1 1760391578 ISUHGIZTRPAVFS-UHFFFAOYSA-N 434.632 4.946 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1760426094 GAMNIBVBGSMSJW-UHFFFAOYSA-N 439.995 4.769 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760429545 HQDLMRLKOUZUAR-JOCHJYFZSA-N 448.615 4.948 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCOC1 1760485569 IVUUNSCSYNLOQF-MRXNPFEDSA-N 429.977 4.674 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760508200 NHTPQDRVYPDEGA-OAQYLSRUSA-N 433.394 4.843 30 10 IJEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)s1 1761777156 AEAGSXRDAIDDND-MOPGFXCFSA-N 439.560 4.873 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@@H](C)CC#N)n3CCc3ccc(O)cc3)cc2C1 1762807676 AGNDNWJVOJLAPN-IRXDYDNUSA-N 435.597 4.818 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1)CCC(F)(F)F 1766879119 CWMYGNXTCQCAEZ-HDICACEKSA-N 448.537 4.573 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@@H](C)C1 1771100073 FYOVJEZRWFWYRE-AUSIDOKSSA-N 444.583 4.609 30 10 IJEE Cn1nc(C(=O)Nc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1-c1ccc(F)cc1 1860838682 WOOQRCHQSUVCSS-UHFFFAOYSA-N 439.450 4.602 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1 1861031397 BEBWBWBHQRYMOH-HXUWFJFHSA-N 437.606 4.703 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862433687 IXUGPFHDMKURGW-LJQANCHMSA-N 425.868 4.559 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(Cl)cc2)c1 1862491414 SGRYMVOTNULIHU-NRFANRHFSA-N 427.928 4.698 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Br)cc1 1862553825 ZNIZOLFRDQQOMX-HXUWFJFHSA-N 440.337 4.926 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862559380 NCFMFHNCQKGFDV-POCHDABASA-N 434.536 4.825 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862590125 BJXACJOVBMGEEU-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCCCC)c2)=C(c2cc(C)ccc2C)C1=O 1863401306 SXJOOLHGFARPOE-UHFFFAOYSA-N 432.520 4.638 30 10 IJEE N#Cc1cccc(COc2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)c1 1865819175 GQYLVCHDPQLTCD-UHFFFAOYSA-N 436.389 4.952 30 10 IJEE C=CCOc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc2ccccc2c1 1865929532 OMUQDJOGRAAPFX-HSZRJFAPSA-N 446.547 4.953 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(/C=C/C(=O)O)cc2)c1 1870154182 QODXGHRGDNAIMA-JXMROGBWSA-N 443.507 4.736 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2[nH]c3ccc(C)cc3c2C)cc1 1870159169 IQPUTEYZJDWSDT-UHFFFAOYSA-N 428.496 4.668 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CSc2ccccc2)cc1 1870160362 NOQMNJNIZYHHSK-UHFFFAOYSA-N 435.553 4.829 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cccc(C)c2C)cc1=O 1871006849 YTRKKXVEGKAGBC-UHFFFAOYSA-N 425.532 4.813 30 10 IJEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1cc(OC)cc(OC)c1 1871137711 LQNVOQDUWFVGEV-UHFFFAOYSA-N 434.536 4.675 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3ccccc23)C1 1871319112 DVZRHUCFODKPDX-NRFANRHFSA-N 430.614 4.717 30 10 IJEE CC[C@H](C)N1COc2ccc3c(c2C1)O/C(=C\c1cc(Cl)cc2c1OCOC2)C3=O 1871351873 FABORNQWDLTUGU-QFUZRPNGSA-N 427.884 4.773 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(OC)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872330059 FDSGRBZIFUNCNO-FDDCHVKYSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1cccs1 1872423668 YNCHLAKWLIIMKX-NRFANRHFSA-N 426.563 4.613 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872451291 YVKPDTFDKHOHIA-QHCPKHFHSA-N 444.597 4.803 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872493079 DWXNBSGGHJXWGF-VGSWGCGISA-N 432.561 4.618 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(Cc2ccccc2)C1=O 1873197484 NQYOLTZFBADAGO-UHFFFAOYSA-N 444.494 4.741 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(C(=O)OC)cc2)c2cnn(-c3ccccc3)c2n1 1873481662 JLOGYPJXFMATHQ-UHFFFAOYSA-N 440.507 4.524 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OC)c(Cl)c1)n2CC=C 1873662157 JMXUUIIOBGLDAF-UHFFFAOYSA-N 437.931 4.710 30 10 IJEE Cn1cccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCc1ccc(F)cc1 1874316251 JRKWQRKKGOACPK-YZSQISJMSA-N 449.555 4.942 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2/N=C/c2cccc3ccccc23)cc1C 1874332237 AWPCBQCNMBVXDG-YZSQISJMSA-N 430.577 4.800 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)c1 1874451645 JQIKKOSVYFDJLO-BUVRLJJBSA-N 435.553 4.557 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc(OC)c1O 1874493311 GEGCBUINJZLKOJ-ZMOGYAJESA-N 438.553 4.751 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)OC)cc1 1874525894 LAXZXPWHXWOMKS-MFKUBSTISA-N 430.533 4.955 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1c(Cl)cccc1Cl 1874533259 ZVSLXEOLNBQXDZ-LSFURLLWSA-N 445.335 4.717 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccccn1 1875119700 IEJWNCBBQSVIJI-BUHFOSPRSA-N 429.472 4.943 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875136633 TXOQSKRQCFBAPH-FMIVXFBMSA-N 428.488 4.946 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 1875144826 QMABMGHXFOCUPS-CSKARUKUSA-N 443.452 4.612 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)c1 1890687649 HWEUPAPTENSLAA-JOCHJYFZSA-N 425.532 4.793 30 10 IJEE C=C([C@H](NCC)[C@@H](O)c1scc(Br)c1Br)[Si](C)(C)C 1922918859 RIXVEFJRTMKAJV-NWDGAFQWSA-N 427.278 4.718 30 10 IJEE CCCCCCCCn1c(C)nc(I)c1I 1936388960 RGPHFPZEVGNXEP-UHFFFAOYSA-N 446.114 4.761 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C=O)(Cc2c(Br)cccc2Br)C1 1980245979 JTSHJLHMGMXUAF-KRWDZBQOSA-N 447.167 4.580 30 10 IJEE C=C(COC(C)C)[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041912972 YVZMOINIJHCMLW-JYFHCDHNSA-N 446.632 4.790 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2ccc(Cl)cc2Br)C1 2063050997 KJGOREBIWYXOPA-MRXNPFEDSA-N 429.786 4.833 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 2159121180 QRKXZBVYTKAORN-JKSUJKDBSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)CC1 2205514731 CDPCNIMOFPFPHX-OTVXOJSOSA-N 436.350 4.733 30 10 IJEE C=CCC1([C@@H](NC)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2231179359 MLGZXXFEYMNSOH-KRWDZBQOSA-N 425.367 4.531 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2235733850 OXQGUPDZJCUXIE-QRQLOZEOSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](O)(C#Cc3ccccc3Br)C[C@H]21 2235743725 LXVJHVVNYOPWOT-SFGWALBWSA-N 434.374 4.731 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2248511972 DXTGOJFCWLUVEI-GJZUVCINSA-N 426.601 4.513 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255348771 JOXRUCZQVJDMMQ-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2262207848 VGFNNSKTMSBRBI-WIOPSUGQSA-N 447.572 4.655 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267093804 YDLPCBZSAMHCTE-OALUTQOASA-N 444.381 4.565 30 10 IJEE COc1ccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2267099657 MPFXRTPKHIZMBU-UHFFFAOYSA-N 446.353 4.853 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)C#Cc1ccc(Br)cc1)C(F)(F)F 2278785658 HUWCUFKUQIBDQM-HNNXBMFYSA-N 434.252 4.558 30 10 IJEE N[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 2278793610 NCDSLUVRFKSOPS-PKTZIBPZSA-N 449.348 4.796 30 10 IJEE CC1(C)OB(c2ccnc(Nc3c(Cl)cc(F)cc3Br)c2F)OC1(C)C 2280769961 SBADSLJMURYRNX-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)cc1Br)C1CCCCC1 2288155309 FODFZDACMMIBDT-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2289688099 RIAATCDYQSMVQJ-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 2296220323 XBMYVPXWWUFKPP-UZLBHIALSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@H](N)C#Cc2ccc(Br)cc2)CC1 2296296924 TWVDDPWKTSKCLD-AFMYVXGZSA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296303653 YQHMASWDDUWYGL-GUDVDZBRSA-N 435.406 4.718 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](C)CN1C(=O)OC(C)(C)C 2296304933 MXSMJTHCTTUUTE-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2296308465 IZPIBGLBWWOISR-YSTOQKLRSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296309108 QMYVDKJVJBHICX-WGQQHEPDSA-N 433.390 4.602 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2296310281 HUHAGCSPXNFLLG-PWIZWCRZSA-N 435.406 4.672 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccccc1 2296773784 LZBCTYNUIBKPOH-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(Cc3ccccc3)C2)s1 2303023160 AJQMUACDQZNMQN-XMMPIXPASA-N 441.597 4.800 30 10 IJEE CCN(CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317353617 IXVIOFUSUZADDJ-BUHFOSPRSA-N 432.370 4.752 30 10 IJEE C[C@@H](C[C@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317358358 LQMFLDJDVIWXKA-CPQFKCLQSA-N 432.370 4.797 30 10 IJEE CCOc1c(OC)cc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1OC 2318574552 NESNVNLNTIKCHP-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE Fc1ccccc1COc1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1 2321968787 VPYWXJXGOAGAQZ-UHFFFAOYSA-N 434.496 4.746 30 10 IJEE COc1cccc(C=NNc2cnn(C(C)(C)C)c(=O)c2Cl)c1OCc1ccccc1 2322601412 QJEAUMJOWNKXOF-UHFFFAOYSA-N 440.931 4.685 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)N(CC)CC 2323499511 SLTGDXCCEJFDJV-UHFFFAOYSA-N 445.943 4.891 30 10 IJEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1O 2325485972 UMLJXTGBRMGHIF-UHFFFAOYSA-N 430.533 4.758 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc(C)c3)c2C)C1=O 2325727128 GRJNGGLYRPCGBU-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c(C)c1 2325747352 AMPYCUQCFYADEQ-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE COc1cc(Br)cc(C=Nn2c(SC)nnc2[C@@H](C)c2ccccc2)c1O 2330047714 OQRNLNQOBPVYDB-LBPRGKRZSA-N 447.358 4.511 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccco1 2330539327 MVBXXTLCEXWPTD-UHFFFAOYSA-N 437.550 4.775 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c([N+](=O)[O-])c2)c1 2330785533 BKGNQEFTQROBID-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(O)cc2)c1 2331377524 HMKHJTQNVITSCM-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)C)n1N=Cc1c(OC)ccc2ccccc12 2331474504 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O=C(CCSc1n[nH]c(N/N=C/c2ccccc2F)n1)Nc1cccc2ccccc12 21077534 NPMYKNFBHNEOSG-ZVHZXABRSA-N 434.500 4.664 30 10 IJEE O=C1/C(=N\Nc2ccc(O)cc2)C(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 27840973 YZQVMFJBXTYIAX-QYQHSDTDSA-N 439.500 4.735 30 10 IJEE CCOc1ccc(/C=C2/Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 33335049 GCKLOGOAVCHNCP-WSDLNYQXSA-N 431.400 4.829 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 38321032 BFDGIBOMQVFYCC-UUYOSTAYSA-N 431.400 4.577 30 10 IJEE CCN/C(=N\c1cccc(F)c1)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 59446670 BCSLEGBHWBOEAZ-INIZCTEOSA-N 440.327 4.795 30 10 IJEE N#Cc1c(NC(=O)CSc2nnc(C3CCC3)n2-c2ccccc2)sc2c1CCC2 59907072 RQICCUPLPBWTLX-UHFFFAOYSA-N 435.578 4.687 30 10 IJEE COc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2Cl)c1 64874253 WEFHCZVBWLLZTQ-JOCHJYFZSA-N 448.910 4.819 30 10 IJEE C=CCOc1cccc(NC(=O)CNc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c1 66109121 COQHMKPVYIIAGD-IBGZPJMESA-N 429.520 4.793 30 10 IJEE N#C[C@H](NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccc(F)cc1F 111219274 ODRVIIUCFKOTEE-FQEVSTJZSA-N 439.487 4.525 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)/C=C\c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 111831882 SBESJSNJMXDSTF-XWDDPXMASA-N 436.552 4.723 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2)c1 170047326 XKXQNOWKXLEYBX-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccccc2)c1 170056049 PTJOEDQZBHCZJS-JOCHJYFZSA-N 439.471 4.663 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(C(C)C)cc1 170066239 CLKQUPIWPMOCCC-DEOSSOPVSA-N 449.547 4.748 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170132865 LWBGCAVAVLLYOA-QHCPKHFHSA-N 427.456 4.500 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccn2)c1 170172571 RVCXJCAXOOEGHF-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccncc2)c1 170199539 KBCSPTJPJKIXGI-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1ccc(F)cc1 170243900 IOZCIKKQVMRKSS-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(O)c1 170263991 QKTQKSYMVNJEFX-QFIPXVFZSA-N 435.476 4.532 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC(C)C)cc1 170265262 IDCOZJHAGPUTPZ-BXKMTCNYSA-N 449.547 4.576 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170266158 FFRVLMJEFZBSCD-YKSBVNFPSA-N 449.547 4.632 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)c1 170271731 FHFITVVKESIQEX-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)o2)cc1 170310581 FGQGOIWNODTISW-QFIPXVFZSA-N 441.524 4.770 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cn(C)c3ccccc23)c1 170394453 QHWYYCBUOBNEJG-DEOSSOPVSA-N 437.499 4.973 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 406718692 SLPSOONWSRUBKM-ROUUACIJSA-N 429.374 4.968 30 10 IJEE Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)o1 442110226 DDLKWNBLEFSGSE-AUUYWEPGSA-N 434.521 4.522 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1cccc(Cl)c1 489616699 ADVZKYXCRFEZFJ-AWEZNQCLSA-N 430.936 4.893 30 10 IJEE CC(C)c1ccc(/C=C\CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc1 491481639 ZIIDYDQORQISQI-HYXAFXHYSA-N 445.542 4.741 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 503114643 ZQASLRQGYIGSEO-HXOBKFHXSA-N 443.544 4.704 30 10 IJEE COc1ccc(Br)cc1/C=N\n1cnnc1SCc1cc(C)ccc1C 526818302 BKVQOSNXWDNDAV-YVNNLAQVSA-N 431.359 4.841 30 10 IJEE CSc1nc(O)c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N 537372542 KAMYOEQVJPWHNG-RDJZCZTQSA-N 435.471 4.808 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1SCc1nc(C)no1 553449166 GAAQDWDIMNYTHZ-UHFFFAOYSA-N 425.558 4.666 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 580261216 XQNOBOWGMZBATI-SFHVURJKSA-N 430.618 4.578 30 10 IJEE CCOC(=O)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(CC)cc2)cc1 586238082 PCKLBPMJVUPECL-UHFFFAOYSA-N 448.544 4.693 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(-c2ccccn2)nc1O 609072324 IXHQFHDSFNOPKQ-UHFFFAOYSA-N 436.471 4.861 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)cn2)cc1 615360082 XQQJEQBSTPOIOS-JOCHJYFZSA-N 444.466 4.577 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 619834535 OBWYMROTHNJMIM-XMMPIXPASA-N 435.478 4.681 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(C[C@H](C)c2ccc(C)cc2)C1=O 737413871 CLPFYBQTZHCNPA-HNAYVOBHSA-N 429.973 4.520 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2c(Cl)cc(F)cc2Cl)nc1C 761811737 ZYMXIPXXIGLHMY-UHFFFAOYSA-N 444.344 4.883 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 761957492 BWHQYLODCNSMLK-UHFFFAOYSA-N 432.263 4.622 30 10 IJEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C#N)cc2)cc1 762440844 OVOOSUYOMDELTJ-UHFFFAOYSA-O 425.537 4.993 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=S)Nc2ccc(SC(F)F)cc2)CC1 782210751 BLFOWAZJSHGSCP-UHFFFAOYSA-N 434.537 4.945 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 783076848 JQSRCMXVKFVCAM-LIRRHRJNSA-N 432.442 4.945 30 10 IJEE C#CCOc1ccccc1C=Nn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 916272676 HSOZOBCNMHOLCT-UHFFFAOYSA-N 433.920 4.981 30 10 IJEE C#CCN1CCC(C(=O)NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 919973480 XLOSAFZAYKFSQA-UHFFFAOYSA-N 441.531 4.628 30 10 IJEE COc1cccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccc(Cl)c(Cl)c3)S2)c1 1084004168 ALWHOFFBBNBNDW-INIZCTEOSA-N 438.336 4.592 30 10 IJEE CCCOC(=O)c1cc(Br)ccc1NC(=O)c1cc2ccccc2n1CC#N 1125576038 DIRYPWQSBXELLY-UHFFFAOYSA-N 440.297 4.746 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1 1125614351 HAZZATREMHQWSS-UHFFFAOYSA-N 447.466 4.587 30 10 IJEE Cc1cc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cc(C)c1Br 1128762810 UKTPPDBJJSHSGE-MRXNPFEDSA-N 438.366 4.982 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnnn1-c1cccc(Cl)c1Cl 1128908268 YOPVVNYOFOVQJB-UHFFFAOYSA-N 433.343 4.570 30 10 IJEE C=CC[C@]1(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)CCCN1C(=O)OC(C)(C)C 1136463494 QKDXIWWTJDEBCX-VVZHRXSXSA-N 442.600 4.959 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1Cl 1190196712 AASYQFBCFHOYNQ-UHFFFAOYSA-N 428.863 4.831 30 10 IJEE CCN1CCC(N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 1199731405 HXANVYCGDPCIRH-UHFFFAOYSA-N 426.948 4.739 30 10 IJEE CC(C)[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(=O)OC(C)(C)C 1214718744 CXAAUXKSCJIKJP-QFIPXVFZSA-N 437.540 4.819 30 10 IJEE COC(=O)C[C@@H](NC(=O)Nc1cc(C)c(N(C)C)cc1C#N)c1cccc2ccccc12 1219021624 BHXBTHUNYXYILO-JOCHJYFZSA-N 430.508 4.512 30 10 IJEE C#CCN(C(=O)NCCc1ccc(C(C)(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1222472147 DEYRMLLOAIOWJD-UHFFFAOYSA-N 441.616 4.571 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)C1 1248676884 SWOLWRMIEHHNLM-RXVVDRJESA-N 430.017 4.642 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 1252449220 OGNPWAXWCZCRTR-DHIUTWEWSA-N 431.923 4.564 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCc2nc(-c3ccc(OCC)cc3)no2)C(F)(F)F)cc1 1272443654 MMERCHWOALKFBU-OAQYLSRUSA-N 444.409 4.896 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1278997310 BXZHAGHWKCVMHM-XXBNENTESA-N 426.582 4.767 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1CC 1286450867 LTXUBXDIEHUEHN-ROUUACIJSA-N 445.405 4.905 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CC 1286552349 QDLHMECAROGXDU-HKUYNNGSSA-N 433.394 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)NCCC 1286570294 SPHMQPDRCNONKE-UHFFFAOYSA-N 431.993 4.742 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccco1)c1ccccc1 1286677513 CPZWCCBJLYQYMV-PZJWPPBQSA-N 433.556 4.664 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN(c2cccs2)CC1)c1ccccc1 1286681944 YNBMWMDXUMPEJP-OAQYLSRUSA-N 437.613 4.563 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286684919 LYFOWNMWWRHZIX-QGZVFWFLSA-N 448.409 4.645 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1csc([C@H](C)OC)n1 1286717022 PWOYSZZWAPPAFW-ZDUSSCGKSA-N 448.390 4.542 30 10 IJEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(C)(C)C)C1CC1 1286737474 NBNABQXHXGNTSL-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCCC1 1286752861 KQIROFQOCOEHMS-UHFFFAOYSA-N 425.646 4.940 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)cc1 1286765754 IVTXSVQDZHHGTO-UHFFFAOYSA-N 433.600 4.953 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1ccccc1Br 1295136928 SSNJJAGJBDGCOK-OAHLLOKOSA-N 445.785 4.836 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 1297651472 WRUWLGUFBBPOKY-QZTJIDSGSA-N 445.387 4.783 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)[C@@H](C#N)CCc2ccccc2)C1 1299126330 FXUHUBPHWDVECM-VJBWXMMDSA-N 439.600 4.787 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)s1 1300647184 BHRCGKLRUOYCQC-KRWDZBQOSA-N 444.963 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCNc1ccccn1 1300906180 JKLLGJNGAKSDQO-UHFFFAOYSA-N 427.556 4.793 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC)[C@H](C)C1 1301178642 QRMDVGORHYBRHR-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1301316229 IQBREVCKUBAGIX-GJZGRUSLSA-N 449.368 4.674 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)CC1 1303294955 VUTJKCGYMGYWOA-IYARVYRRSA-N 444.984 4.679 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 1304459895 OLQGCMWQUSETAN-KRWDZBQOSA-N 431.330 4.794 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]32)cc1OCC 1308358654 MHBUBDSRBSJRIM-HHXXYDBFSA-N 444.460 4.882 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2=O)cc1 1356419314 CVGDZQGAEPBGOE-QGZVFWFLSA-N 431.879 4.996 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1COC 1358878166 RZPXBVBMPGOHJE-GOSISDBHSA-N 434.609 4.928 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H](CC=C)c1ccccc1 1359063352 PLELQNGXVGLSAK-QFQXNSOFSA-N 433.600 4.549 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359117649 MIBQLRNXSZVGCN-WIYYLYMNSA-N 428.577 4.644 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(Oc2ncccc2F)CC1 1359120339 YKRACTVCIPTHCP-UHFFFAOYSA-N 427.911 4.757 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](CCC)C1 1359146714 HJGJTFAOFBKBRF-GOSISDBHSA-N 434.968 4.500 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)C1[C@H]2CCC[C@H]12 1359223595 QCPDNMVXPAJKKO-KBPBESRZSA-N 437.407 4.597 30 10 IJEE C#CC(C)(C)NC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1360378646 XKZSIDCXRZLUKB-UHFFFAOYSA-N 448.588 4.570 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(C2CC2)CC1 1360469362 BGXGMOFYZXHTTL-OAHLLOKOSA-N 447.414 4.865 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(SC)n2ccccc12 1360644200 RFQDLVFKZAEWOD-UHFFFAOYSA-N 434.334 4.786 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1436649790 WLNDNFJJLNFNQY-RTBURBONSA-N 435.738 4.742 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C)(C)C[C@H]2C)c1 1436806351 QSFQDKLGBRHQGA-QGZVFWFLSA-N 447.000 4.982 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)Oc1ccc(C)cc1Br 1459979150 DJFBAFGZHNEJBE-QGZVFWFLSA-N 434.378 4.907 30 10 IJEE N#Cc1cccc(NC(=O)CSCc2ccc(Br)cc2)c1Br 1461021514 BWWZJTGBDDDCTI-UHFFFAOYSA-N 440.160 4.955 30 10 IJEE N#Cc1cc(NC(=O)N2CCN(c3ccc(F)cc3F)CC2)ccc1Oc1ccccc1 1466272840 BJTQRZYRYOAIBG-UHFFFAOYSA-N 434.446 4.983 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CCC34CCC4)cc2n1 1467352972 ROXSETGQXKIUOG-UHFFFAOYSA-N 439.560 4.620 30 10 IJEE C=CC[C@@H]1CCN(C(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1470435719 SOTAZILOUXJNRQ-WOJBJXKFSA-N 432.564 4.976 30 10 IJEE C=CCCCS(=O)(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1474881961 SOLPQNMSDRQPNK-UHFFFAOYSA-N 427.444 4.941 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 1478062505 VJDSVOUVZKYQCO-AVRDEDQJSA-N 448.535 4.598 30 10 IJEE C#CC[C@H](NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1478244914 ASRWNEAYEIMQAU-MJBXVCDLSA-N 440.334 4.563 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](Cc2ccc(OC)cc2)C1)c1ccc(Br)cc1 1478895968 HZNLIHHVNXVPNK-AVRDEDQJSA-N 441.369 4.796 30 10 IJEE COc1ccccc1[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@@](C)(C#N)C1)OC(C)C 1504367336 ATDSWGLLRQMKSQ-RDGATRHJSA-N 439.604 4.782 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCOCC1 1507517451 QLOBLAMYCBCRFO-OALUTQOASA-N 445.007 4.963 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1507520013 MDMVHJSGTCOCNS-BKCZMFJTSA-N 444.627 4.770 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@](C)(CC)C1 1507571386 YWPHNXKHUPAGIR-SANMLTNESA-N 438.616 4.963 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CC[C@@H]21 1507571480 BYRXATCZWKPFOG-AABGKKOBSA-N 427.593 4.532 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1ncc(C)s1 1507648031 HPKTUFIKTIPVGK-GOSISDBHSA-N 431.609 4.884 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1nc(C)cs1 1507679020 FWMYRUTYUYMSMF-RDJZCZTQSA-N 427.549 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cnc(C)s1 1507798500 VSEBRZLPJRPZLH-JXFKEZNVSA-N 444.004 4.981 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1507838000 YVFKTFLHNVICGO-ROUUACIJSA-N 448.995 4.668 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2cccc(C)n2)CC1 1507896293 IQFGHSKNIRLHII-LJQANCHMSA-N 435.547 4.906 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC(F)(F)C2)CC1 1507909462 GKTSPZWWAWMAOT-GOSISDBHSA-N 432.515 4.704 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1SCCc2ccccc21 1507986997 KYFSOYJAIPBWPZ-QHAWAJNXSA-N 426.630 4.850 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCC1=CCCCC1 1508019511 FUZUJFDYMKIMFB-UHFFFAOYSA-N 433.600 4.640 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1508051541 YMIIQSZZNHNJOW-UHFFFAOYSA-N 425.577 4.529 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1cccs1 1508106809 ZHGBBSMNRUAKBF-KRWDZBQOSA-N 432.553 4.607 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2=CCCCC2)C1 1508126521 RQDFVAYEKCJLML-IBGZPJMESA-N 428.527 4.819 30 10 IJEE CC[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCOc1ncccc1F 1512853252 FEOSDFIRKHTVNS-GOSISDBHSA-N 446.530 4.570 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(Br)c2ccccn12 1514571277 BTOGOZCYLMNZAZ-UHFFFAOYSA-N 448.280 4.717 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2CCC(C)C)cc1 1516302583 IFHSPCXNHQXXIX-IBGZPJMESA-N 425.577 4.993 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)c1ccccc1 1519373499 GVXGRVBXOXHNDQ-NRFANRHFSA-N 434.989 4.806 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)COc3ccccc3C#N)c2C(=O)c2ccccc2)C1 1524771669 AABFMAGPDDEHHH-INIZCTEOSA-N 430.529 4.993 30 10 IJEE N#CC[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1 1524895771 GAURFFHKZWCAKQ-UODIDJSMSA-N 427.523 4.607 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(I)c1 1525235487 GPOHLDRRDRPFDT-HNNXBMFYSA-N 425.697 4.862 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Oc4ccccc4)cc3C)c2C#N)C1 1533470302 MEFYZTUKXGRBBY-UHFFFAOYSA-N 431.517 4.877 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1538256996 NQZVHKWRLBSYAV-AEFFLSMTSA-N 434.305 4.930 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1539082735 ZNNCLGJXNHMBCZ-HXUWFJFHSA-N 440.498 4.798 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1539162015 RKMJCYSPQUOLPS-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC12CCC(CC1)C2 1539306741 KJQWDBJFEKCYFS-UHFFFAOYSA-N 446.595 4.784 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1539597169 TYTMNYHQXVNXQL-KGLIPLIRSA-N 441.320 4.556 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@H]1CC 1539600920 VCNMMQVSYNRMOI-SJKOYZFVSA-N 425.321 4.681 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1Cc2ccc(Br)cc2C1 1539633189 XDBGGCLFTMMXTH-LAUBAEHRSA-N 445.405 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1Cc1ccc(OCCN2CCCC2)cc1 1539644513 GMGWFPTUIFOXGS-UHFFFAOYSA-N 425.621 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCOC(C)(C)C1 1539655316 KPUPQYLKWNXAHT-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCc2nnc(C)s2)CC1 1539829531 ZVWLAIUTVOMZNS-SFHVURJKSA-N 438.601 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CCCCC2)CC1 1539842395 RMNOCLXOYKSYEQ-UHFFFAOYSA-N 431.378 4.559 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCOC(F)F)CC1 1539884062 CJHUVLPEPJUCOW-UHFFFAOYSA-N 429.471 4.632 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1539953784 VGDZMAHRBPFSKP-POGFHVCPSA-N 438.616 4.951 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1539961243 RCNHBLORMLHKED-UHFFFAOYSA-N 432.572 4.578 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)N1CCCCCC1)C1CC1 1540094120 BZBDUDSXMJTRKU-HSZRJFAPSA-N 435.616 4.768 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1Cc1cccnc1OCC(F)(F)F 1540161433 DZXHDPWGJYRKEM-UHFFFAOYSA-N 429.446 4.508 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(F)(F)F 1540165721 YJEPPZFGLVWWRB-HXUWFJFHSA-N 432.442 4.538 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)C[C@@H](C)c3nccs3)nnc2C(C)(C)C)cc1 1540878589 BQGRZBJQHRUQPH-QGZVFWFLSA-N 425.602 4.885 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC(C)=C(Br)C1 1540919001 BTSXXZRITLMDTL-UHFFFAOYSA-N 425.440 4.809 30 10 IJEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1541897278 FEZIXLPXXSFUBW-HNNXBMFYSA-N 443.420 4.553 30 10 IJEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)Nc1ccc(C)cc1C 1548414487 ZVBOOUIAYJPGKU-MJGOQNOKSA-N 431.458 4.531 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 1556967233 CPTLKSQPJQJNCG-UHFFFAOYSA-N 428.286 4.665 30 10 IJEE C=CCn1cc(CNC(=O)Nc2ccc(Br)cc2Oc2ccc(C)cc2)nn1 1563096063 NEGDXUUUNWDVDW-UHFFFAOYSA-N 442.317 4.649 30 10 IJEE C#CCN(C(=O)NCc1cccc(CC)c1)[C@@H]1CCOc2ccc(Br)cc21 1565009187 NYYGMDHASGZTFU-HXUWFJFHSA-N 427.342 4.680 30 10 IJEE COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)NCCc1ccc(C#N)cc1 1565064412 HBUSOUBWLWZBNM-OAQYLSRUSA-N 427.548 4.952 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)c(Cl)c3)n[nH]2)c1C 1570715114 GPTCHWVSWKOZLZ-UHFFFAOYSA-N 439.825 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCCN1CCCC[C@@H]1C 1589192094 GWFYASUWHZQONN-YADARESESA-N 426.008 4.855 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1593923247 HHMMPZRSAIQCQU-IRXDYDNUSA-N 437.009 4.729 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)COC)C1CC1 1595034167 XMLWAZPZFYDUNQ-CYBMUJFWSA-N 439.785 4.798 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC[C@@H]1CCO[C@H](C)C1 1595070749 LAERBORIWGFDHU-WOJBJXKFSA-N 426.605 4.982 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1CCc1ccc(Br)s1 1595234208 LBFYSRVCWUIADP-UHFFFAOYSA-N 431.403 4.888 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)c2nccs2)C1 1595699392 CYVPTDXBJLRGCX-GDBMZVCRSA-N 447.967 4.779 30 10 IJEE C#CC[C@H](NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1596538939 UHCWNHFHZSIPNY-SIBVEZHUSA-N 438.527 4.794 30 10 IJEE C#C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(Cl)cc1 1596960665 GBNFGDCCZOKRFH-HXUWFJFHSA-N 426.347 4.962 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(C)(C)N1CCc2ccccc2C1 1597724839 AUUFYNPQGBLMSG-UHFFFAOYSA-N 432.486 4.837 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(C)(C)C)C[C@@H](C(F)(F)F)O1 1612916422 AJNYGMKFWIVRFR-QAPCUYQASA-N 435.494 4.799 30 10 IJEE Cc1c(Br)cc(C#N)c(=O)n1CCOc1ccc(Oc2ccccc2)cc1 1613698297 DMGUPERKGNJVQJ-UHFFFAOYSA-N 425.282 4.662 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1CCCC(F)(F)F 1619897931 AHLNSLRKYFVXBX-UHFFFAOYSA-N 447.461 4.714 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@]23CCC[C@@H]2C3)c1 1626548105 ZBOPQLCWEQBBNF-HXOBKFHXSA-N 444.984 4.641 30 10 IJEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1)[C@@H]1CCCc2ccccc21 1626711401 ZEUZOXGJEZLGQH-JYFHCDHNSA-N 428.576 4.922 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 1626803533 YFBXRJBUCRDYLU-GFCCVEGCSA-N 433.814 4.821 30 10 IJEE C=CCOc1ccc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)cc1OC 1629697726 RYOALYVFMRJPGI-UHFFFAOYSA-N 434.305 4.966 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](C)CSc1ccccc1OC)c1ccc(Br)cc1 1631352983 WYBBNVPKWIVKPO-CRAIPNDOSA-N 447.398 4.860 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 1634216556 ZGSQDGQUYDPSEP-HRAATJIYSA-N 429.904 4.571 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(Br)cc1 1634808914 BLFDBYKEWCLWEE-IKGGRYGDSA-N 435.268 4.580 30 10 IJEE C=C[C@H](C(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccccc1 1636942192 XMSUOFSBPYQXCR-CLHVYKLBSA-N 448.563 4.976 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)C(F)F 1637657305 SWPGSWVIAYZHMV-JLTOFOAXSA-N 448.897 4.806 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 1640633192 VTOFIFIJFRJKKO-IBGZPJMESA-N 435.593 4.908 30 10 IJEE C=CCN(Cc1nnc(-c2cccc(OC)c2)o1)Cc1cc(Br)ccc1F 1641674938 FQCXAPKLSKBYQG-UHFFFAOYSA-N 432.293 4.835 30 10 IJEE CC[C@@H]1CN(CC)CCN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1643086337 HJZFBIVYDZXCAB-QZTJIDSGSA-N 430.662 4.515 30 10 IJEE C=CCCn1cc(CN[C@H](C)c2sc(-c3ccccc3Br)nc2C)nn1 1647039446 GUCUMGASSJWHCG-CYBMUJFWSA-N 432.391 4.899 30 10 IJEE C#CCCOc1ccc(C(=O)N2Cc3cc(Br)ccc3OC3(CCC3)C2)cc1 1652126177 XMQHUGYLFGSPHH-UHFFFAOYSA-N 440.337 4.809 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1654447690 GDLGTDMUFNFYQJ-HNNXBMFYSA-N 436.961 4.624 30 10 IJEE COc1ccccc1[C@H]1CC[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1655288983 HXMUHYJLEAFBLU-AUUYWEPGSA-N 438.471 4.748 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1 1658320744 MMZMXYFCZHPOMV-QFIPXVFZSA-N 427.570 4.546 30 10 IJEE CC(C)(C)c1cc(NC(=O)Nc2ccccc2O[C@H]2CCOC2)n(-c2ccc(C#N)cc2)n1 1661695275 GKMYWYCAJPEJIG-IBGZPJMESA-N 445.523 4.853 30 10 IJEE O=S(=O)(N[C@H](CCc1ccccc1)C(F)(F)F)c1c(F)cccc1OC(F)(F)F 1662477065 HOHKNRQAKXRQSE-CQSZACIVSA-N 445.356 4.566 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c2ccccc12)c1ccc(F)c(F)c1 1662886678 IUQIKUXBDNWFGT-OAQYLSRUSA-N 431.460 4.500 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1669244888 LNLKXRJORZAWQT-INIZCTEOSA-N 433.618 4.602 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccc(Br)cc1 1669427895 UBXWBDBQSRYUSS-NRFANRHFSA-N 426.335 4.769 30 10 IJEE C#CCN(C(=O)Nc1cc(F)ccc1N(C)C)[C@@H]1CCOc2ccc(Br)cc21 1672898608 PDOJNYSPGCPHCD-GOSISDBHSA-N 446.320 4.645 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccc(F)c(F)c1 1686173992 UHRPNGAARAGFHH-NZQKXSOJSA-N 430.495 4.777 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCSc1nccs1 1689862916 JHHZAZSWABWILK-SFHVURJKSA-N 441.626 4.571 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1689886762 GDMQENBORUAJPM-SANMLTNESA-N 446.599 4.666 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C 1689973737 NYKPHMVVIPIOGD-OFVILXPXSA-N 438.616 4.810 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(c2ccccn2)CCC1 1689973839 SGTKYAIQXFJVTO-UHFFFAOYSA-N 443.595 4.741 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)c1nc(C)cs1 1690073878 JVOZWDFYXQCOEX-MRXNPFEDSA-N 432.553 4.628 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCc1csc(CC)n1 1690088303 HZDZKZBGJSGQLZ-QGZVFWFLSA-N 425.577 4.832 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cccs1 1690230230 VRHSSPJTFYIZCS-UHFFFAOYSA-N 439.329 4.754 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 1690247376 ABINPEJHQQJHTI-QPPBQGQZSA-N 438.616 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCCN1CCCO[C@H](C)C1 1690260634 RHANNVPTMMBHGP-LJQANCHMSA-N 432.012 4.502 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(COC)CCCC2)CC1 1690366175 SCSSXQJLJVOAGS-UHFFFAOYSA-N 448.409 4.789 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CC2CCC(F)(F)CC2)CC1 1690382225 GTSIJALSONQPNF-UHFFFAOYSA-N 432.515 4.848 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCn2cc(C)cn2)CC1 1690382493 QOIMRGXUZSKXTN-UHFFFAOYSA-N 447.370 4.525 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1690447647 UPKKMOWLVZJLRS-OAQYLSRUSA-N 426.605 4.958 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690472135 FSNLOPLNTSRXLY-QHCPKHFHSA-N 435.616 4.768 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1cccc(CN(C)C)c1 1690575808 BLVMNBJSZBXYOS-UHFFFAOYSA-N 432.597 4.637 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccsc1 1690683206 DJRZCIUQBJSLAG-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)CC(C)(C)C1 1690683248 FTNRZWUOXMOHEI-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCCC2(F)F)C1 1690688220 QTLFFVUGFSDFQK-UYAOXDASSA-N 432.515 4.561 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1690751286 YNJXDXFKFWJJIA-JPYJTQIMSA-N 428.602 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN(C)CC(F)(F)F 1705483137 OBPGQFOYCASTDN-KRWDZBQOSA-N 435.538 4.585 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705525161 ZNXYHPVMXWHDNJ-VLCRHTCISA-N 440.563 4.755 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOCC1CCOCC1 1705607641 KYZBDKSYDMBWJX-UHFFFAOYSA-N 438.616 4.535 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1Cc1ccc(N2CCCC2)nc1 1705619693 ZCADVYDDSWHYGM-HXUWFJFHSA-N 446.574 4.614 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1705810777 HQUQUVAIFUITTG-QGZVFWFLSA-N 428.556 4.687 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1705815104 KXPYJRSSTKCSPS-IBGZPJMESA-N 425.577 4.652 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC(C)CC1 1705847051 CVOOCTFQHZOJEP-GOSISDBHSA-N 434.053 4.966 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)cc1C)C1CC1 1705851503 JEIUBGDBLLSOMC-UHFFFAOYSA-N 440.389 4.866 30 10 IJEE Cc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)sc1C 1706991665 DNXPNFSNSKIJBJ-CQSZACIVSA-N 428.993 4.577 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C#N 1710394351 AWLUUBHVOJULDP-GOSISDBHSA-N 427.593 4.566 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(CCOC)CCCCC1 1722292543 WFIMALYLEMYFMU-LJQANCHMSA-N 429.008 4.967 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722311910 NTHLOSCONIYPCD-HXUWFJFHSA-N 440.588 4.550 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 1722318280 BSFMYVJHFYHXOW-SFTDATJTSA-N 443.636 4.678 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722408069 YIZCFHRDSCLNMA-IRXDYDNUSA-N 436.478 4.715 30 10 IJEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1cccs1 1722459944 ATYGQYNJZLYHHO-LJQANCHMSA-N 438.622 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(CC)CCC 1722467116 MMCYDZFPUMLONO-YADARESESA-N 444.023 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccccc1COCCC 1722473714 BVRUWPGARQAZEI-RUZDIDTESA-N 434.609 4.897 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N(CC)CCC 1722488396 FOVRCSSHBUQNGH-UHFFFAOYSA-N 425.396 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)C/C(C)=C/c1ccccc1 1722504346 GDRJJQBEJJYDAX-DUYPHJDFSA-N 429.568 4.861 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1722511982 SNJKDGDGAUCAMW-OALUTQOASA-N 442.604 4.958 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(CCCO)CC1)c1ccccc1 1722594349 JZCGJDBYHZXPKT-HSZRJFAPSA-N 433.600 4.632 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(N(C)C)nc1 1722633133 PAADHAGTQQXVOC-UHFFFAOYSA-N 438.988 4.945 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N(C)CC1CC(F)(F)C1 1722733153 SOOGNLMKGDSHTD-UHFFFAOYSA-N 428.483 4.941 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722741721 UVJRJTAOCWNVFI-LJQANCHMSA-N 436.572 4.642 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCOC1CCCCCC1 1740541675 FBDNDRWWVYEKPE-QGZVFWFLSA-N 430.980 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1CC 1740753043 DZIUJHFJSBJTAU-NSHGMRRFSA-N 432.515 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn2ccsc2n1 1740766458 HCVFQEPQKSDFHH-MRXNPFEDSA-N 440.548 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](CC)N1CCCC1 1740769181 SVRQGTAERWXMHT-OAQYLSRUSA-N 433.604 4.612 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740780071 TXYZZWPKWVGHAE-MSOLQXFVSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cnc(C)s2)CC1 1740836337 IQPNQUOMFWNKQH-UHFFFAOYSA-N 429.977 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1740849693 SWECJIDDJUAIEM-UHFFFAOYSA-N 446.599 4.558 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1740853965 BXNNFUMBZNGZDS-QHCPKHFHSA-N 442.567 4.865 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740865204 KZYSBUHJILCYEP-NRFANRHFSA-N 434.588 4.558 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@](C)(O)[C@@H](C)CC 1740904455 LXNRSXKCTPHRAH-XOBRGWDASA-N 427.376 4.583 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1Cc1cnn2ccccc12 1740915016 RKODVLMHKOVMFA-IBGZPJMESA-N 425.540 4.552 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)OCC)C1 1740973660 BLQLHJOUYKLGJU-HKUYNNGSSA-N 444.645 4.728 30 10 IJEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1747867603 IDQFCQPHWBHYDD-UHFFFAOYSA-N 441.988 4.637 30 10 IJEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](SC)C(C)(C)C 1748949686 IHTKENJAEZKXJF-NRFANRHFSA-N 440.657 4.612 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1749022670 FMFLWZABHCAEDY-INIZCTEOSA-N 447.446 4.946 30 10 IJEE C=C(Br)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccccc1C 1749112581 LXSFWEQQWRJQMD-HNNXBMFYSA-N 435.276 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC(C)(C)C1 1749141625 ZZJWTZCZIKBNDS-XMSQKQJNSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1749292738 VFJQRMAVUOJEPP-QHAWAJNXSA-N 440.588 4.646 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)COCc2ccccc2)CC1 1749343966 WPMNQIHBFITAST-NRFANRHFSA-N 431.584 4.519 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCOC1 1749414477 DQDIUTHPSVVGQT-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C(C)(C)C 1749587142 JNEJABFLDKUFJV-QFIPXVFZSA-N 433.556 4.706 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccc(C)o2)cc1 1749684026 NTEXDVXNFRKPEO-UHFFFAOYSA-N 429.524 4.799 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(CCC)CC1CC1 1760275787 ISDYGOBKQUQPSK-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC2(CCC2)C[C@@H]1CC 1760310051 QIYYQMBECQSOQG-SFHVURJKSA-N 445.405 4.945 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1760344217 DYDIJEZTFVQKHB-UHFFFAOYSA-N 446.477 4.587 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC(C)(C)[C@H]1C 1760351181 BMCIYZJDOKOENJ-GOSISDBHSA-N 444.645 4.872 30 10 IJEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](SC)C(C)(C)C)CC1 1760388233 JDLSZNALWXTEGH-SFHVURJKSA-N 438.601 4.528 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccncc1Cl 1760466982 QAENCPBJGNIYML-UHFFFAOYSA-N 425.964 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1760478399 GJXVPTFSUGZHFX-SANMLTNESA-N 447.583 4.757 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCSC1(C)C 1760491012 QFIIUNUTKAKVEM-AWEZNQCLSA-N 436.423 4.746 30 10 IJEE CN(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1)c1ccco1 1768470633 GYTHBZLVVFJBGQ-FQEVSTJZSA-N 438.963 4.624 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCc2ccccc2)CC1 1772554768 LDNQLYCTCIBCHG-AREMUKBSSA-N 438.616 4.744 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)CC1 1860466214 KWLYGFXOQQJWGQ-UHFFFAOYSA-N 446.960 4.866 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1ccccc1Br 1860726183 KTTMRNQVEPFXBF-SOFGYWHQSA-N 427.067 4.572 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cc(CC)n(Cc2ccccc2)n1 1860997270 FLOZKVPIENXXMP-AREMUKBSSA-N 440.632 4.869 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(=O)n(CC(C)C)c1)[C@H](C)CC 1861247682 RTYDGDUBBKVTDC-ZJSXRUAMSA-N 447.664 4.906 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(N(CC)CC)cc1 1862421705 OBTLXDJYGQOWDI-OAQYLSRUSA-N 426.463 4.575 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862467124 JBAVGNOQONRYSK-INIZCTEOSA-N 429.316 4.721 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(F)c2)ccc1F 1862501525 DXDZCLBKXLPLOD-QHCPKHFHSA-N 449.453 4.931 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OC)c1 1862548115 KTACHFUTGLPPGP-XMMPIXPASA-N 449.547 4.579 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccccc1)c1cccc(O)c1 1862588093 HKUWYEOHKNDPKZ-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 1862621468 RCXHPAXIFFPVLG-HSZRJFAPSA-N 427.456 4.502 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 1862679980 REGCFWANRNYJTC-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862687971 SEBRJMDWBOXDDO-DEOSSOPVSA-N 427.500 4.825 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccccc2F)C1=O 1862934238 NPIIOZWPLBQHAX-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706726 JCMOXBSFJPCLDE-FQEVSTJZSA-N 438.527 4.882 30 10 IJEE C=CCN1C(=O)c2cccc(OC(=O)/C=C/c3cccc(OCc4ccccc4)c3)c2C1=O 1865794589 PHLDWWWGUOOTJV-CCEZHUSRSA-N 439.467 4.666 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCc3cc4ccc(C)cc4nc32)n1 1868262088 JLPAEFUIXSILRC-UHFFFAOYSA-N 436.519 4.832 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N(C)CCc3cnc[nH]3)n2)cc1 1868535409 MTASMSVRIDTEAY-UHFFFAOYSA-N 439.523 4.560 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)COc2cc(F)ccc2F)c1 1870158347 STSUSDGPALMLHJ-UHFFFAOYSA-N 439.466 4.681 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCCCC1 1870446377 XKUFONBRWCCIMN-UHFFFAOYSA-N 434.621 4.915 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870809274 SVULIUYSLATACI-UHFFFAOYSA-N 439.519 4.626 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871009280 NJUYKZSVQFTFTH-UHFFFAOYSA-N 429.564 4.675 30 10 IJEE COC(=O)c1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3cccs3)C4=O)C2)cc1 1871351535 YWFGMYYFRZURFI-NHDPSOOVSA-N 447.512 4.811 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871387041 VYGQKTPDHDQBQQ-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871428657 MWXIHGPELGXILA-FMCGGJTJSA-N 433.435 4.776 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871438710 NRLGQXTUDAPOMZ-KSEXSDGBSA-N 431.419 4.662 30 10 IJEE Cc1c(OCCN2CCOCC2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871449693 SMIHQGOKSLDJGI-MOSHPQCFSA-N 434.319 4.629 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)c1 1871453682 MGYYMYRVKSYMAL-CFRMEGHHSA-N 445.471 4.646 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871536172 GWPOJFBDUZXRRU-UHFFFAOYSA-N 442.608 4.587 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(Cl)cc1 1872098353 XTVHGUYQEPPFPO-NRFANRHFSA-N 445.972 4.805 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(N3CCCCC3)ncnc21 1873668734 BAXAVZPKWYHXQD-UHFFFAOYSA-N 429.446 4.879 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874305833 QWNMIPAJKLMSFN-YZSQISJMSA-N 429.549 4.641 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(Cl)cc1Cl 1874340693 RQLUMBYQFPLLJG-KHAGQWAKSA-N 440.400 4.694 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1O 1874402867 MUYRHFHKXALBKG-PCLIKHOPSA-N 430.533 4.649 30 10 IJEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)ccc1O 1874422877 JEUURUXDVFDUAP-HZHRSRAPSA-N 436.562 4.938 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2OC)o1 1874481914 FNEWIQYQJYUDQP-YDZHTSKRSA-N 442.541 4.528 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)cc(OC)c1O 1874482155 WZMUFLWMPBSRDP-WYMPLXKRSA-N 444.532 4.612 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874485989 WHKPFVRUSKATQO-YSURURNPSA-N 442.507 4.768 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1)Nc1ccc(F)cc1 1874494844 HUQOQOODVRWOBB-WYMPLXKRSA-N 443.935 4.951 30 10 IJEE CCc1nnc(SCCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874525969 BQKOJPCRMGWDCQ-LPYMAVHISA-N 433.350 4.959 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cccc(OC)c1 1874572520 RJZSTGASMXPTML-VQHVLOKHSA-N 433.298 4.686 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)C(C)C 1874707509 IZFLYGICEPJBBC-GQCTYLIASA-N 447.281 4.644 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2ccc(OC(F)(F)F)cc2)c1 1891227480 PCTPLDFNULOLQY-UHFFFAOYSA-N 448.485 4.563 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(Br)cc2Cl)c1 1891694430 GWFBYYHASBQNLN-UHFFFAOYSA-N 449.776 4.761 30 10 IJEE N#Cc1ccc([C@@H](CCC(=O)O)CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1951662850 KROAODDKMDLTNN-INIZCTEOSA-N 430.460 4.638 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(Br)c(C#N)cc2F)C1 1963927361 QBPCUHMBHASDTO-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](CC#N)C1 1984693644 BOFLJHUQIGOJAF-KBMIEXCESA-N 445.563 4.702 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(C#N)c1 2010550342 OUQRXGMFIHWNDO-FOIQADDNSA-N 443.931 4.649 30 10 IJEE Cn1cnc(Cl)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2054879729 LXWZEPDAXBXBOM-ZDUSSCGKSA-N 425.714 4.842 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC23CN(C(=O)OC(C)(C)C)C3)c1 2059140200 DYBMYDRZVAXFIX-DEOSSOPVSA-N 443.544 4.730 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NC1(C#N)CCCCCCC1 2060784481 UYAWTDYJDVPPPC-OAQYLSRUSA-N 443.588 4.609 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1C 2079015538 WDBGOIIJIBISTC-OAHLLOKOSA-N 427.236 4.913 30 10 IJEE Cc1cc(C#N)c[nH]c1=Nc1cc(Br)c(Br)c(Br)c1 2095446095 QGABOAGNXJLAEG-UHFFFAOYSA-N 445.940 4.715 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1Nc1ccc(C#N)c(Br)c1 2162301378 LRLUNPUDTBAPGJ-RBUKOAKNSA-N 428.330 4.923 30 10 IJEE O=[N+]([O-])c1cc(Br)c(OC[C@H](CS)CC2CC2)c(Br)c1 2169175486 ZLUIPWHLNXDOJX-SECBINFHSA-N 425.142 4.845 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2174561651 FRPLAVMROHUOJL-INIZCTEOSA-N 436.394 4.790 30 10 IJEE C=C(c1ccccc1)[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237404511 HOKMULQKDHYVPK-PMACEKPBSA-N 432.358 4.959 30 10 IJEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1CCCCC1 2255624181 CUGMNIZBRPSVBP-UHFFFAOYSA-N 440.418 4.726 30 10 IJEE C=CCN(C[C@H](NC)c1c(F)c(F)c(Br)c(F)c1F)C(=O)OC(C)(C)C 2267840094 YFKVDLJMERRIRD-VIFPVBQESA-N 441.263 4.689 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296001977 UTDNJHHTRUEHIJ-JOCHJYFZSA-N 448.906 4.756 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@H](O)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296278067 ZXTYGOAXRFGQPO-GCJKJVERSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]2(O)C#Cc1ccc(Br)cc1 2296286108 HZNBZPKONBOSAZ-JOCHJYFZSA-N 428.326 4.982 30 10 IJEE C=CCOc1ccccc1C=C1SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 2296758972 MFSPGEHZTKEXKW-UHFFFAOYSA-N 439.968 4.697 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccccc1C 2321935457 NGVVOTYASOZEJA-HXUWFJFHSA-N 438.553 4.587 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2OCC)cc1 2322192790 XKUFQFRVDXJQLB-UHFFFAOYSA-N 440.569 4.996 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)N[C@H](C)c3ccccc3)c2)c1 2323068392 FXBORRWSPNSODZ-LJQANCHMSA-N 445.515 4.856 30 10 IJEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1[N+](=O)[O-] 2323331504 KWQJPHIGTZGDKB-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Br)c2)cc1 2323628440 IRIYXYJKCHJELT-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(OC)c1OC)C2=O 2324097310 WQGIIXXQQQCEHQ-UHFFFAOYSA-N 425.525 4.956 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OCCO 2324380987 SBFSPFGRCNXVFK-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1C(=O)O 2326924241 OFQPLSMTZUMWJA-UHFFFAOYSA-N 436.581 4.896 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2327672048 BAKOKOVSAQEMMH-UHFFFAOYSA-N 444.944 4.688 30 10 IJEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(OCC)c(OC)c1 2329208075 YJCTXYBLSPLYLD-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE COc1cccc(C=CC(=O)[C@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)c1 2329668945 DNNXDLCJKMSJLV-FYYLOGMGSA-N 435.568 4.517 30 10 IJEE Oc1c(Br)cc(Cl)cc1C=NNC(=S)NC12CC3CC(CC(C3)C1)C2 2330469898 XAOJLWMWUUXISE-UHFFFAOYSA-N 442.810 4.575 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1sccc1C 2331349291 IBVPQZAYJMFYRW-KRWDZBQOSA-N 441.626 4.842 30 10 IJEE COCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2331413594 CVVSYQNENFVNRM-UHFFFAOYSA-N 426.509 4.839 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc2c(c1)OCO2 2331439962 JSDNRLFNQOJYAS-UHFFFAOYSA-N 429.266 4.779 30 10 IJEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1cnccn1 2331471947 URQYHGFJHRGLHD-UHFFFAOYSA-N 440.455 4.762 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(Cl)cc1 2331706267 UZXLJOSBYJCNMN-UHFFFAOYSA-N 438.944 4.878 30 10 IJEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)C=Cc1cccs1 2332149836 VCQAPZVZQIOODG-UHFFFAOYSA-N 438.727 4.872 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)C#Cc1cccs1 2338389681 KFFJVWAHAAWPDY-QGZVFWFLSA-N 434.355 4.567 30 10 IJEE C[C@@H]1CC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339584557 CMPLISOKRJSKMB-DEWHONNTSA-N 444.381 4.893 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339594236 QNAXDUNELLJZPU-KICKTSRDSA-N 443.397 4.784 30 10 IJEE CN(CC1CC(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1)C(=O)OC(C)(C)C 2339596210 IBBBCYCPUDFOCP-UHFFFAOYSA-N 444.381 4.751 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@H]2c1ccncc1 9781112 BAKWBQZYAPUYOB-FQEVSTJZSA-N 435.528 4.763 30 10 IJEE Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3cccc(Cl)c3)CC1=O)N2 17095133 CMMRZYIEGPYWHZ-ASSNKEHSSA-N 426.854 4.934 30 10 IJEE COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c1OC 21349612 ICDSNJXJPRGBCV-PEBXRYMYSA-N 432.476 4.664 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)CC1 21761793 CWLJPYWDTWAIEV-DBWCEAHUSA-N 431.993 4.547 30 10 IJEE CSc1cccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2c(C)nn(C)c2C)c1 32972404 QXHMVOXRKPVBOR-UHFFFAOYSA-N 435.597 4.774 30 10 IJEE O=S(=O)(c1cccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)c1)N1CCCC1 33960213 POPLKESTINFJGV-LPYMAVHISA-N 446.985 4.694 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)CC(C)C 36120245 BWLRRBDTXKFGED-JOCHJYFZSA-N 440.609 4.622 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C/c2cccc(OCC)c2O)C1=O 36258258 MYQDAZIDHUSODX-QGOAFFKASA-N 425.506 4.643 30 10 IJEE O=C1/C(=C\c2cc(Cl)cc3c2OCOC3)Oc2c1ccc(O)c2CN1CCCCCC1 37857892 HZWXXPCRXKXTSW-SRZZPIQSSA-N 441.911 4.904 30 10 IJEE CC(C)NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccccc3Br)C1)C2(C)C 38288364 VQFJYEUALJJGOB-LCGWOLBCSA-N 435.362 4.703 30 10 IJEE CCCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n([C@@H](C)c2ccccc2)c1O 38623380 MADPLJAKESWJNP-SFHVURJKSA-N 430.504 4.753 30 10 IJEE CCCCCCn1c(O)c(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(C)c(C#N)c1=O 38627180 CMODDPUZKAIZTO-MRXNPFEDSA-N 430.932 4.926 30 10 IJEE COc1cc(/C=C2\S/C(=N/c3ccccn3)N(C3CCCCC3)C2=O)cc(OC)c1O 39863062 KGGYNYLLSVSPDX-TVGGXGMTSA-N 439.537 4.741 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)cc1 59014443 VOZMCQCKOSCBPW-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N1CCC[C@@H](C)C1 59811061 NNHOLGBLPQNFNJ-GOSISDBHSA-N 435.597 4.580 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 102712910 NPMJJBZMVNTQDO-VFJWVMJUSA-N 432.476 4.741 30 10 IJEE Cc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)cc1 105337089 HKGJADPELWRVRZ-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE COc1cc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1cc(C)ccc1C 169936523 SWPFUAUNWZCJOK-DEOSSOPVSA-N 436.577 4.759 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2C)c1 170087691 BKRTZHNANULHTH-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccco2)c1 170097677 FKAXFYHLGKLHDY-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@H]2c2ccco2)cc1 170098875 YSQQKIPVYQLPAN-NRFANRHFSA-N 427.460 4.864 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099780 IULBETUSTNLQKS-QHCPKHFHSA-N 441.487 4.918 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(C)c2)c1 170139884 GODDXVKYIVFZKB-NRFANRHFSA-N 443.927 4.660 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)c1 170144176 SBPZYNSBOBXPDU-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCOC(C)C)[C@H]3c3cccs3)oc12 170155164 HWRLGXGBVYBANY-IBGZPJMESA-N 441.505 4.506 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)ccc1OC(C)C 170188262 HDXPMYQQXZIECI-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccncc2)cc1 170207097 CXQVOLPIJFWSLA-NRFANRHFSA-N 436.414 4.541 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F 170251774 KOPAMFJOCFBMJW-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccco1 170282042 GMUUHMUGBXDYLY-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)cc1C 170297171 NTVXPWAOAOXYCX-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301723 CSPPFVOJKGFKCQ-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(C)o2)cc1C 170306267 IQXIXRXSJVTASW-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCOC(C)C 170313225 GVPRFQVTLWFGMO-IBGZPJMESA-N 425.506 4.806 30 10 IJEE Cc1ccc(C(=O)CCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 170509440 YHZSVFABXRQQKA-UHFFFAOYSA-N 437.503 4.819 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3nc4ccccc4nc3Cl)nc12 170547675 YJVWKOQZPVORJR-UHFFFAOYSA-N 441.882 4.949 30 10 IJEE O=[N+]([O-])c1cccc(/C=C\C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 254381323 PFXRQINBSSZYDY-BVLAXICRSA-N 433.380 4.941 30 10 IJEE N#CCc1ccc(CNc2ccc(I)c(Br)c2)cc1 399117603 NLMKNICNKKCBQN-UHFFFAOYSA-N 427.083 4.732 30 10 IJEE CC1(C)OB(c2cc(NC(=O)c3cscc3Br)ccc2Cl)OC1(C)C 405021094 FKBQSLDIYNMIOU-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)[C@@H]2C 439223014 HFPOLNZDJXISMO-MRXNPFEDSA-N 448.502 4.600 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 482236373 GPNSMIKIIKYLPW-UHFFFAOYSA-N 428.964 4.946 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(NC(=O)CCCCC)CC1 508493770 ZPNIXMVERDYYKK-UHFFFAOYSA-N 449.521 4.815 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2OC)c1 526488055 CYEFAYKIGZEYKS-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc1OC 526808110 BBKLZPPDTILKHU-MXAYSNPKSA-N 440.569 4.875 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 670196300 HFSUMXRPVYTSLI-DENIHFKCSA-N 449.603 4.661 30 10 IJEE C=CC[C@H]1CCCCN(C(=O)c2cc(I)ccc2Br)C1 703669519 GAZJACLBYVILBT-LBPRGKRZSA-N 448.142 4.872 30 10 IJEE O=C1/C(=C\c2cnn3ccccc23)CN(Cc2ccccc2)C/C1=C\c1cnn2ccccc12 729641431 HUAVECZFDHBKCS-WJVNUPORSA-N 445.526 4.534 30 10 IJEE COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(C3CCC3)C2=O)cc1Cl 730459013 DVMQGGKFZLHFOA-LJQANCHMSA-N 443.956 4.861 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 733337669 QMBUPVOGVWBPIX-UXHICEINSA-N 425.326 4.605 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 733770003 AXVQUBZEGRGHKD-IBGZPJMESA-N 434.565 4.510 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C#N)cc3F)cc2OC)cc1 781107806 KSHGFMIYCTUGAB-IZZDOVSWSA-N 445.446 4.968 30 10 IJEE CCCc1c(NC(=O)NCCc2c[nH]c3cccc(OC)c23)cnn1-c1cccc(C#N)c1 784477961 LBVTYZUNUQOARA-UHFFFAOYSA-N 442.523 4.551 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)n1 788819514 HNMKHEXKAPTXJW-LUAWRHEFSA-N 439.968 4.587 30 10 IJEE COc1cccc(CN(CCN(C)C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 790379170 CEKLJHUDKHVICN-UHFFFAOYSA-N 448.592 4.569 30 10 IJEE Cc1c(Cc2ccccc2)sc(N=Cc2cc(Br)ccc2O)c1C(N)=O 1084213436 RPOQAQCNSSBARU-UHFFFAOYSA-N 429.339 4.965 30 10 IJEE C=CCc1cc(C(=O)N2C[C@@H](C)Oc3cc(C)c(Br)cc32)cc(OC)c1OC 1126826779 YOYNASOKGKLXJP-CQSZACIVSA-N 446.341 4.931 30 10 IJEE C=CCCc1ccccc1NC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 1128305590 VGPCUAJXELYNIM-UHFFFAOYSA-N 430.545 4.564 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1OC 1128751550 ZVFFZSWBMRUNRF-ROBGEKGESA-N 446.316 4.847 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 1134713298 UREYSTVBSMVWNK-SFHVURJKSA-N 429.314 4.635 30 10 IJEE C#CCN(C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1155366623 BTGRCYCERLRLSY-QUCCMNQESA-N 448.966 4.834 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1159428303 WEJCBBCUDBMYOA-NRFANRHFSA-N 439.394 4.908 30 10 IJEE N#Cc1ccc(NC(=O)CN[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1Cl 1169603472 AIQZUARYANATNN-IBGZPJMESA-N 436.712 4.793 30 10 IJEE C=CCn1c(Sc2nc(C(F)(F)F)c(C(=O)OCC)o2)nnc1-c1ccccc1C 1185684630 FOVDNYDZJNDSKH-UHFFFAOYSA-N 438.431 4.774 30 10 IJEE Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)cc1 1187137440 AMCCGEMRRIWSCL-GOSISDBHSA-N 437.334 4.684 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 1203662838 XSIRSGSHCIEBFC-KRWDZBQOSA-N 430.348 4.820 30 10 IJEE Cc1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c(OC[C@@H]2CCCO2)c1 1205019581 CRGPVCOARWQONB-SFHVURJKSA-N 444.329 4.509 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)c1cccc(CC(=O)OCC)c1 1219086764 NNTZHLYFJGJQIU-UHFFFAOYSA-N 447.329 4.788 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1226647095 OQWWHJOIMIQBAV-LJQANCHMSA-N 435.515 4.625 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 1248404411 UDGYLKFLAZWATD-UHFFFAOYSA-N 429.561 4.663 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)C1 1248676885 SWOLWRMIEHHNLM-WIYYLYMNSA-N 430.017 4.642 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1ccccc1)c1ccc(OC)c(Br)c1 1251244351 ZJGZUCSWBRBDDZ-SVFBPWRDSA-N 445.357 4.580 30 10 IJEE C#CCN(C(=O)[C@@H](SC)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1265210259 NYJVJRAPHVJQAU-ICSRJNTNSA-N 430.367 4.839 30 10 IJEE C=CC[C@@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)c(Cl)c1 1270228768 UQBMYWYYDKUQNX-SJORKVTESA-N 430.328 4.790 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCN1CCC 1286279399 LSWHAVLQHXQYRC-ICSRJNTNSA-N 425.646 4.608 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC2(CCCCC2)O1 1286403423 JYHNPFUFLTXLAD-IBGZPJMESA-N 440.950 4.692 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1CC 1286450866 LTXUBXDIEHUEHN-QZTJIDSGSA-N 445.405 4.905 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1snnc1C 1286565956 IHRPLSFAOQPIAU-AWEZNQCLSA-N 428.631 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C1CC1)N(C)C 1286566948 QHVGLHUSHLMAEJ-FXAWDEMLSA-N 427.662 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCSC1 1286570387 XMORPHUTGHWROM-HNNXBMFYSA-N 438.439 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(OC(C)C)nc1 1286583019 FZNJIAVJBPMVIG-UHFFFAOYSA-N 444.583 4.914 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286584260 BPQNQWZCVNAGHT-ZWKOTPCHSA-N 436.629 4.872 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cccc(F)c2[C@H]1C 1286603566 GPLRYDKMOQZHMQ-MRXNPFEDSA-N 441.938 4.849 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCC(C)CC2)CC1 1286638017 RZTQZPWPESWLFZ-HXUWFJFHSA-N 444.023 4.960 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCCCOCC)CC1 1286656076 VUDLMSOUKCJUDC-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2c(C)noc2C)CC1 1286663619 FUQVCWHSTQJKPX-UHFFFAOYSA-N 435.572 4.724 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CC[C@H]1C2 1286675701 CAQWPNPALLDYNW-FHWLQOOXSA-N 429.609 4.941 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1)c1ccccc1 1286678441 WWCHSGPNRPGYSL-UPVQGACJSA-N 447.631 4.886 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)(F)F 1286698779 HCEYIFCYVMCXRD-INIZCTEOSA-N 445.530 4.747 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2C)CC1 1286718149 YZSXBRIMQUVLJP-UHFFFAOYSA-N 426.362 4.698 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286744521 IJACSESUJDCKKN-WIOPSUGQSA-N 447.558 4.577 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1oc2ccccc2c1C 1286755089 YYSVFTYFMGHPIS-RUZDIDTESA-N 436.556 4.600 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1=CCCCC1 1286763440 ZJBVGCXKRZYAMC-UHFFFAOYSA-N 430.600 4.875 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccccc2Cl)C1 1286812959 VDFKTMRTHMCSJY-LJQANCHMSA-N 428.989 4.608 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1286827424 NMQKYHSXVIMCEE-QGZVFWFLSA-N 448.017 4.552 30 10 IJEE CC(C)(C)CN(CCC#N)C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 1293126134 FEVZRTVPBOAVAQ-UHFFFAOYSA-N 434.606 4.660 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COc1c(C)cccc1C)C(C)(C)C 1295060676 PMLNWXPEAUYSOU-PMACEKPBSA-N 430.589 4.520 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)c(F)c1 1296653595 VLXBBWXLGQBBHB-HSZRJFAPSA-N 446.453 4.808 30 10 IJEE CCOc1c(Cl)cc(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2C(C)(C)C)cc1OC 1296695446 CLERZYLDPIKPPC-QHCPKHFHSA-N 445.995 4.815 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1297397405 BSCIMLSCZMQHSM-ICSRJNTNSA-N 429.515 4.505 30 10 IJEE C#CCCCCn1c(N(C)[C@@H](C)c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300372199 BMWBYAJZIMVFNN-GBESFXJTSA-N 441.576 4.643 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)[C@@H](C)CC 1300563928 PXCSHHLFHNGOEF-DFBJGRDBSA-N 438.641 4.536 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1300769191 BFZAIRVIKWCGDU-WWNPGLIZSA-N 438.641 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@](C)(O)c1ccco1 1300924879 ISGCKHLAFYXCHW-QHCPKHFHSA-N 426.586 4.782 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cn(CCCCC)nc2C)CC1 1301089251 QEKCEYCCDFVOJT-UHFFFAOYSA-N 439.633 4.534 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](CC)C1)c1ccccc1 1301167850 GLWPRQAMFRVMCN-QTJGBDASSA-N 448.615 4.503 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@H](OC)C1 1301207740 FZFIUHVKFJTQDR-WMZHIEFXSA-N 436.556 4.945 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccoc1 1301335114 WEOLURZRFOQQRP-UHFFFAOYSA-N 435.915 4.836 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@@H]1C 1301346552 DZDSKXDXYVLDMQ-WMZOPIPTSA-N 440.389 4.895 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C)COC1 1301354725 HTPZHDFPACPCII-TZIWHRDSSA-N 442.579 4.565 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1c(C)nn(C)c1C 1301374959 HPVIFGOAQHRLMF-MRXNPFEDSA-N 436.629 4.708 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CCSC(F)(F)F 1301401410 BEJYFNBCZLCEID-QGZVFWFLSA-N 426.508 4.618 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1301472904 YZLUEVZIKPVXMC-UHFFFAOYSA-N 435.597 4.816 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1301611875 SJCMWXNYSSRUPA-QGZVFWFLSA-N 449.690 4.728 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC(C)=C(Br)C1 1301615280 JRRUXFMEPUDDSZ-UHFFFAOYSA-N 439.448 4.729 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1301802691 CBVDWUBPIDILFN-JKSUJKDBSA-N 425.455 4.507 30 10 IJEE C#CCC1(NC(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)CCCCC1 1304007602 XWRASGSMIVLXGH-UHFFFAOYSA-N 445.629 4.789 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)c2c(C)noc2C)cc1C 1304395462 CTGZZHKMPSQLNR-QZTJIDSGSA-N 436.560 4.621 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1304530385 GUCAYFNUNBHPED-HXUWFJFHSA-N 434.632 4.894 30 10 IJEE C[C@@H](c1nc2ccccc2s1)N1CCN(c2c(Br)cccc2C#N)CC1 1306919616 FKOFZWRFOJZSJZ-AWEZNQCLSA-N 427.371 4.814 30 10 IJEE C#CC[C@H](Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 1307073078 PMRCDXNBXPQVRW-QFIPXVFZSA-N 449.532 4.987 30 10 IJEE COC(=O)C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(C(F)(F)F)cc1 1310042671 HOSSTTKRVYXOID-MRXNPFEDSA-N 425.794 4.656 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1 1311298333 KGGVHCLMSDBTEH-MRXNPFEDSA-N 433.508 4.566 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2cc(Br)cs2)CCCN1C(=O)OC(C)(C)C 1350564362 NWKHAJBLURNEHE-LJQANCHMSA-N 443.407 4.815 30 10 IJEE C=CCC[C@@H](C(=O)NCCc1ccc(I)s1)c1ccccc1 1352300286 MUBKNNXUXNYDGV-MRXNPFEDSA-N 425.335 4.761 30 10 IJEE CCCOc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccco1)c1ccccc1C#N 1354098809 FRPDNLMWSCRRAF-UHFFFAOYSA-N 426.476 4.973 30 10 IJEE N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 1357752276 BPGKWHAEQTUCTH-PUZFROQSSA-N 431.517 4.930 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc2c(n1)CCCC2 1359000840 FZMJLNVBXXWLOV-GOSISDBHSA-N 449.986 4.853 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(C)s1 1359066307 WNRIOYAYGJOTIU-JOCHJYFZSA-N 428.508 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CC 1359116281 FQIXDCQIDOCPDU-HXUWFJFHSA-N 432.012 4.787 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)c(Br)c2)CC1 1359161621 LEZLNNOQJCTSJE-UHFFFAOYSA-N 443.345 4.822 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCSC(F)(F)F)CC1 1359179859 IQFZILBLOHUXDK-UHFFFAOYSA-N 432.462 4.803 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 1359182008 OUNIUKVBZQMWMF-VWLOTQADSA-N 442.579 4.730 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)N1CCOCC1 1359232952 LMIWVOUHRHWTNJ-UHFFFAOYSA-N 446.020 4.546 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1Cl 1359239705 VACVAYXVNMJNEY-SFHVURJKSA-N 445.995 4.717 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1CCNc1ncc(Cl)cc1Cl 1359242073 OKCQEPOOWYNOGI-UHFFFAOYSA-N 431.371 4.613 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cscc1C 1359243738 CCPGPRPRQCKUNV-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C)N1CCCCC1 1359263496 CULLNJBBJCPQIV-NHCUHLMSSA-N 443.661 4.691 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2sccc2C)C1 1359324819 SCOUJGXQXWTFQY-HXUWFJFHSA-N 438.597 4.673 30 10 IJEE C#Cc1cccc(N(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C(C)C)c1 1435028103 ODAIUGRRUBDRTF-UHFFFAOYSA-N 443.732 4.720 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ncc(CC)o2)c1 1457492345 GRNRVUGXLODNFN-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1464229585 DHZQXXRQPZRIOL-QKLQHJQFSA-N 449.567 4.627 30 10 IJEE C#Cc1ccc(NC(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)cc1 1467487827 JUCRLZVNQGEQDI-UHFFFAOYSA-N 427.504 4.787 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C 1467658508 ZXUIXEABMRXSBT-KRWDZBQOSA-N 434.487 4.553 30 10 IJEE C#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CCC2 1468557830 KKOVJVKALHKCSA-PHKMIBKXSA-N 430.935 4.879 30 10 IJEE C=CCSc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1471738475 JAQKGVGAPWTIFM-GDBMZVCRSA-N 444.519 4.740 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C[C@@H](C)C[C@@H](c4ccccc4)C3)ccc2c1=O 1472578495 RDUBDAMHMCXWRN-PWIZWCRZSA-N 433.577 4.573 30 10 IJEE COc1cc(Nc2nccc(Oc3cccc(C#N)c3)n2)cc(OC)c1Br 1472740230 CETQCGOTSVANQF-UHFFFAOYSA-N 427.258 4.664 30 10 IJEE Cc1oc(NC(=O)[C@H](C)N2CCc3c(Cl)ccc(Br)c3C2)c(C#N)c1C 1473844552 HLZUJTMUDSCVSV-NSHDSACASA-N 436.737 4.569 30 10 IJEE C#CCOc1ccc(CNCCOc2ccc(Br)cc2C(F)(F)F)cc1 1474098153 CYKDAAYWNGVVHE-UHFFFAOYSA-N 428.248 4.649 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(C)(C)SC 1495732434 CMWYSKBUONDJBI-MRXNPFEDSA-N 447.052 4.785 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1507579260 PZZVPMQUJIWZJI-IBGZPJMESA-N 444.505 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1Cc1cnc(C)s1 1507823717 NKOOIIPTKJXGMW-UHFFFAOYSA-N 429.615 4.795 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507880822 NBSVJMKNPVPQBR-OAQYLSRUSA-N 435.616 4.658 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncnn2C(C)(C)C)CC1 1507881709 QBMCKTGRXYXOHQ-FQEVSTJZSA-N 449.603 4.586 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CCC(C)C)CC2)CC1 1507889850 SMRJGOQYFWLTCQ-UHFFFAOYSA-N 427.662 4.845 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1507924551 OYCJMSLQJOKFCJ-ISKFKSNPSA-N 448.615 4.866 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1507952291 OYWQBTOWOIODNH-LPHOPBHVSA-N 431.378 4.965 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C(C)(C)C)no1)C1CC1 1507994930 AWXYTBZSMKGWPU-UHFFFAOYSA-N 435.572 4.963 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)C 1508006720 KSJXCNBKDNLVKI-WIYYLYMNSA-N 425.602 4.979 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCC1 1508009120 UWCLPWAYEYXTTH-UHFFFAOYSA-N 435.547 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCN1CCC 1508014621 BVEBCQNFNFTROU-FQEVSTJZSA-N 444.421 4.760 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1CCC(OC)CC1 1508027066 XWGLTQZWQBDCNI-WLXPTCNVSA-N 438.616 4.612 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1508062415 IDGSNSSXMHGCRD-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1508157970 CNVASDFYOSDWHY-QRWLVFNGSA-N 434.556 4.841 30 10 IJEE CCc1ccc(Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@](C)(C#N)C2)s1 1513663374 BOZOTHGJUKFWNA-DEOSSOPVSA-N 435.597 4.680 30 10 IJEE C=CCSCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 1515135652 UJXZIZWDBBCMAK-VWNXMTODSA-N 438.593 4.523 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1ccc(F)c(F)c1 1517410143 KDLLYLLQNCUSGN-LJQANCHMSA-N 437.277 4.959 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)C/C=C/c3ccc(Br)cc3)CC2)nc1 1519793140 CNCGERIJENRNPX-OWOJBTEDSA-N 440.341 4.625 30 10 IJEE C=C[C@H](CC(=O)Nc1sc2c(c1C(=O)NCCCOC)CCCC2)c1ccccc1 1523011924 NYUPGDQYODJTSS-QGZVFWFLSA-N 426.582 4.692 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1OC 1523394998 DYHHJIJPBMRWPB-SXAWMYDMSA-N 446.469 4.687 30 10 IJEE COc1ccc2onc(CC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)c2c1 1529654418 GXOUYRSOHJGSJJ-UHFFFAOYSA-N 431.423 4.607 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)cc1OC 1529789323 BPCAEEGOMCUMGV-ACQXMXPUSA-N 429.557 4.776 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2cccc(C(C)(C)C(=O)OC)c2)s1 1530558596 ZIAWIGPKVSSRLU-UHFFFAOYSA-N 439.986 4.895 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2noc(CC)n2)s1 1530690612 IFCSTVJPRZTIEN-CYBMUJFWSA-N 426.995 4.538 30 10 IJEE C=CCN(CCc1ccco1)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 1535163853 XHZZYNGVZXJRSL-IBGZPJMESA-N 447.963 4.850 30 10 IJEE C#C[C@H](NC(=O)CCc1ccc(Br)cc1F)c1ccc(Br)cc1 1535479078 LGSPZIUVZLXFDE-KRWDZBQOSA-N 439.122 4.774 30 10 IJEE C=C1CCC(C(=O)N2C[C@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)CC1 1536018690 VDUTWYQAUZDYDW-LEWJYISDSA-N 440.584 4.889 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1536595029 RPTUNXFBOPYCJC-HXUWFJFHSA-N 444.597 4.599 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1538377344 DGULQRUOKFICAZ-DIFFPNOSSA-N 448.338 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ncc(CC)s1 1538985236 YSGFKJAAYKNVFD-CVEARBPZSA-N 439.654 4.851 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnc(C)s1 1539053554 VCMBBRFXFFZJIF-MRXNPFEDSA-N 427.549 4.762 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1539085708 QFWABHUVOIYPKX-YADHBBJMSA-N 442.991 4.537 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539094685 SQRVZFXIEQCHHV-RBBKRZOGSA-N 446.599 4.696 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1sccc1C 1539239080 GZDZVGHXVWLVNM-OAQYLSRUSA-N 432.593 4.720 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(COC)CCCCC1 1539361910 IXLZVBJHUYPKCD-UHFFFAOYSA-N 433.556 4.657 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC=CCC1 1539397010 WSRONIIDWCUEDN-RTBURBONSA-N 428.964 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](F)COC 1539541398 GWNJXPABWHHDDR-LHSJRXKWSA-N 432.952 4.790 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC#N)CC1 1539579848 CXUSHKORUKSYKK-UHFFFAOYSA-N 426.318 4.730 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1539606240 AJSMFKRQVZFDJI-UXHICEINSA-N 440.389 4.663 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1539654913 HZLZOHKIHTYLCL-KRWDZBQOSA-N 437.613 4.986 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1539881902 OEJPIOGXTSXBPY-UHFFFAOYSA-N 431.462 4.633 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1539932246 ZISAWUBBRBGXID-HXUWFJFHSA-N 425.533 4.809 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1539953915 PVTLJFOAGVXLQS-IRLDBZIGSA-N 442.629 4.864 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](SC)C1 1540043065 WHFDNSUBJQMPHY-VAMGGRTRSA-N 436.666 4.511 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCN1CCCCC1 1540119952 HQFACFGOUMTUMC-UHFFFAOYSA-N 425.621 4.554 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1Cc1cccc(C(F)(F)F)n1 1540121640 LNLFXMVIOVDRDH-UHFFFAOYSA-N 438.457 4.682 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCc2ccccc2CC1)C(C)C 1540152127 PZMOZGUWXZCWBA-RUZDIDTESA-N 433.644 4.849 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCOC[C@H]1C 1540191201 HGWVQVFYSRQMLZ-CTNGQTDRSA-N 426.605 4.554 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2CCc2sc(C)nc2C)cc1 1542503695 DFIWBCRWNLYTBV-INIZCTEOSA-N 440.642 4.791 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)CSc3nccn3Cc3ccccc3)cc2)ccn1 1556870019 DKZMADBQNMIXLU-UHFFFAOYSA-N 441.516 4.721 30 10 IJEE C=CCN(CCc1ccco1)CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 1559688853 DXCAXOWZJSFGKL-UHFFFAOYSA-N 435.593 4.879 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1562943755 HHMUZUUFQDPGHE-KSSFIOAISA-N 425.382 4.824 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)c1ccc(Cl)cc1F 1563534875 PFGNRNAGSBHHHN-FGZHOGPDSA-N 431.939 4.544 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1564182066 LYTASOHBJKYXKM-UNMCSNQZSA-N 447.000 4.973 30 10 IJEE C=CCC1(CNC(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)CCCC1 1564748059 RJGLHZDAIMSHFU-FQEVSTJZSA-N 437.588 4.570 30 10 IJEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC1 1584573564 BFDAQHABOSFHTP-RBBKRZOGSA-N 446.378 4.806 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1 1584689151 GZXGCFSPUMECDF-WOJBJXKFSA-N 431.761 4.730 30 10 IJEE C#C[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(Cl)cc1 1584690287 SEUVTXYWERBMON-INIZCTEOSA-N 449.681 4.845 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 1585562331 WKGZBVAYWVLQTL-UHFFFAOYSA-N 438.524 4.973 30 10 IJEE C#CCN(C(=O)[C@H](CCC)c1ccccn1)[C@H]1CCOc2ccc(Br)cc21 1586216291 CROUIHWPBGCNAK-XLIONFOSSA-N 427.342 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1587604570 WLCUQGOZUXOJFY-FKBYEOEOSA-N 444.627 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCCCSC 1587679246 YQTNDDORGKKRCJ-OALUTQOASA-N 449.665 4.731 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(CN2CCCCC2)cc1 1588245443 DQRNUBCIPDZHQR-UHFFFAOYSA-N 443.639 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C)CC1 1589493768 IVPQQPVPFZTGHC-JQVVWYNYSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1589609161 UTLYFVQFVGJYAR-NQIIRXRSSA-N 448.409 4.643 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCC(C)(C)C2)CC1 1594128511 RRGQJCXEOLDAPD-UHFFFAOYSA-N 444.023 4.789 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC)Oc2ccccc2F)CC1 1594246989 CXZCSRJLMMUQNN-NRFANRHFSA-N 435.547 4.663 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C 1595075663 JKOXXEKJGNNDSQ-XUZZJYLKSA-N 447.583 4.602 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC=CCC2)C1 1595745509 SDIFHWOKNPLZST-NQIIRXRSSA-N 428.964 4.648 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCC(C#N)CC2)C1 1607455182 HBXNZDUJOXMWKG-VWLOTQADSA-N 448.659 4.561 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2cccc(OC(C)(C)C)c2)nnc1-c1ccco1 1611152300 GQUVCNQWWQALRU-UHFFFAOYSA-N 440.569 4.700 30 10 IJEE CC[C@@H](C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1613122881 FCPACHZYMCRHCC-OPAMFIHVSA-N 448.036 4.761 30 10 IJEE C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1614569321 AYWKCVRDCSRSFA-CYBMUJFWSA-N 446.359 4.975 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC2CCCC2)cc1 1620350106 CHBVJQCHGALQQY-IBGZPJMESA-N 433.478 4.555 30 10 IJEE C=CCCn1cc(CN2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)nn1 1621513001 AHISUWKJZZILTJ-SIKLNZKXSA-N 431.625 4.540 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCN(c2ccccc2C#N)CC1 1623842700 ZDKYAQSBOMYYGZ-PEZBUJJGSA-N 429.442 4.645 30 10 IJEE CCN(CC)[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(C(F)(F)F)cc1 1625751985 GSFUMAQRRKGZLF-RBBKRZOGSA-N 431.502 4.977 30 10 IJEE C=CC[C@H](NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccncc1 1631878812 VXKLDNJDJDDGAN-LEWJYISDSA-N 442.604 4.766 30 10 IJEE C#CCOc1ccccc1CNC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 1633750778 CBSZKTGFYKLPMC-UHFFFAOYSA-N 428.573 4.522 30 10 IJEE C#C[C@H](CC)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1635862872 GNJJKAZMSZJTDT-FQRUVTKNSA-N 438.527 4.794 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 1641387090 JODOSCFGESNICZ-DFBJGRDBSA-N 446.588 4.609 30 10 IJEE C=CCC[C@H](NCCCON1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 1653041327 MIMZOOBLPABXJC-FQEVSTJZSA-N 432.442 4.920 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1ccccc1C(F)(F)F 1654808593 CHUWZWNTFQUMPN-PBHICJAKSA-N 446.391 4.878 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)cc1 1665969951 UPGZJVCSCMKHST-NHCUHLMSSA-N 441.597 4.731 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc(OCC)c2)c1 1666095590 PUKHAKGNJAQBCS-UHFFFAOYSA-N 438.501 4.649 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@H](c3nc(C)c(C(=O)OCC)s3)C2)c1 1668760131 BMVKCUWENMBMHD-INIZCTEOSA-N 429.542 4.605 30 10 IJEE Cc1sc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nc1C1CCCCC1 1670145856 DWHPZMUICICOJG-UHFFFAOYSA-N 425.602 4.967 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 1671796257 RTDFSKCPWJIRJX-UHFFFAOYSA-N 427.570 4.972 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 1672798940 CYENYVSSPFLCGY-SJORKVTESA-N 432.952 4.713 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(-c3nc4ccc(OCC)cc4s3)cc2)CC1 1672866501 ZCRNIMZXNOTBKL-UHFFFAOYSA-N 434.565 4.581 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CCN(CC)CC2CC2)CC1)c1ccc(Br)cc1 1674025908 OGFJBPGWMUYZDO-QFIPXVFZSA-N 446.433 4.667 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21 1675008697 SCAUIVYJIJIWQQ-CEWLAPEOSA-N 427.342 4.807 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)c1ccc(F)c(F)c1 1675699213 MDIOSIRHXWQTGL-DHIUTWEWSA-N 429.511 4.727 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1 1678468951 GDRHAJGWZOYWAW-IAGOWNOFSA-N 429.483 4.839 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(I)c(C)c1C 1680590416 KKPPRWZVABSCLX-UHFFFAOYSA-N 436.293 4.795 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1cccc(F)c1F)[C@@H]1CCOc2ccc(Br)cc21 1680787468 OALBDNXQXWUVLD-FZKQIMNGSA-N 449.295 4.957 30 10 IJEE C=CCC1(NC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCCC1 1685500111 ZBZMPTUOIARJJD-HNNXBMFYSA-N 430.902 4.911 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCOC2(CCCCCC2)C1 1689904124 LJLJWEDMEYBKPL-UHFFFAOYSA-N 436.600 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCSCC(F)(F)F 1690207615 FWBPEKYDSWFPHR-LJQANCHMSA-N 442.938 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCOc1ccc(F)cc1 1690245987 PSGAGGRLHONNNH-KNQAVFIVSA-N 428.552 4.571 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(c2ncccc2F)CC1 1690279353 CQPICFSYBRMVDC-UHFFFAOYSA-N 444.917 4.565 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1690395000 UMSWVXJFFLDTAH-VQTJNVASSA-N 425.552 4.688 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(COC)CC1 1690473961 MLXTVNGJBWFHQF-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1690512448 XWXKSUGKEQRIBF-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nc(C(C)C)cs1)C1CC1 1690538629 LEAYPGGLFQDXRE-UHFFFAOYSA-N 439.585 4.745 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC(F)(F)Br 1690562946 AOWYDOJMALDPKY-UHFFFAOYSA-N 434.288 4.520 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](C)C1 1690571830 KHEWOCBKGOALPU-WIYYLYMNSA-N 436.579 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1oc2ccccc2c1OC 1690588493 XYUZVSUFMSHODF-UHFFFAOYSA-N 435.915 4.975 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOCC(=C)C 1705477571 PUAWXLVSLHKCDX-MOPGFXCFSA-N 430.980 4.739 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCSC1 1705573263 CPYPLWQQCDGMLN-RBUKOAKNSA-N 443.016 4.514 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOC)CCCC1 1705607365 AJYIUDBSDWLHOT-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1705677136 CKLBVXCBMPQRIX-AXHZCLLHSA-N 442.991 4.708 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1705683893 DUZUXURQJOLJEV-YOEHRIQHSA-N 449.374 4.783 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](OC)[C@H](C)CC 1705711129 BICVCXHGPCLOAM-QAPCUYQASA-N 438.414 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)c1c(C)noc1C 1705716394 JPQDYDRPBSDHSU-IERDGZPVSA-N 437.544 4.602 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC2(CCCCCC2)C1 1705723552 BJGMABGSFHYRDJ-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C(C)C)C1 1705728713 SYYOVVMVPKNADY-ROUUACIJSA-N 435.638 4.504 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1705733017 LZCMXVGMBKTMOC-HSZRJFAPSA-N 433.556 4.673 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnc(C)s1 1705752615 BGNZRVATEIIPLP-UHFFFAOYSA-N 426.933 4.754 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1705756569 HGSVNQCTOQPYRM-HNNXBMFYSA-N 431.993 4.549 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(Cl)c(OC)c2)CC1 1705781726 HAKKXZAYNSHVGX-FQEVSTJZSA-N 430.980 4.827 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 1705803107 FUYGWSFOPKAENR-NRFANRHFSA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1705807467 DMFJAFMUECUPLK-IBGZPJMESA-N 435.576 4.511 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1705809301 NIZOUPFTOITFJC-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(F)(F)F)CC1 1705812539 CKUXAKBNHNTLOE-UHFFFAOYSA-N 432.288 4.781 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1705830213 LGEQJFOCQPQUFG-FQEVSTJZSA-N 442.579 4.698 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(NC(C)=O)c1 1705837069 OWHHSENJIFFIRM-INIZCTEOSA-N 435.597 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccc(Cl)cn1 1705837300 WVBVPEGJFQQUCQ-OAHLLOKOSA-N 444.004 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCSc1ccccc1 1705865967 CUBGUNFJWGTUTL-SFHVURJKSA-N 426.611 4.828 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@@H](C)C1 1705880290 AWWFEQZQZJMNSP-ONTIZHBOSA-N 428.577 4.553 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CC2(C)C)C1 1705921184 NHSFJDBJWAAFOI-UXHICEINSA-N 440.588 4.568 30 10 IJEE CCc1cnc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@@H](C)C#N)s1 1708968282 BNJDZOFMUHJTPB-GJZGRUSLSA-N 440.642 4.794 30 10 IJEE CSC1(Cn2c(N3CCC(Oc4cccc(C#N)c4)CC3)nnc2C(C)(C)C)CCC1 1712762707 DMOIXRZKRDTIAS-UHFFFAOYSA-N 439.629 4.781 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCCC1 1712794983 DLTYZKNAYDGKHK-IBGZPJMESA-N 425.602 4.641 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1C1CCC1 1722325412 KMBDNCJXPQLZDM-FQEVSTJZSA-N 443.389 4.899 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1c(F)cccc1Cl 1722346602 QNXMQTJPOVZMGO-UHFFFAOYSA-N 439.741 4.679 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722432973 VZSZKSMIKOVGNW-OFNKIYASSA-N 447.583 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 1722507873 HEOXTKUEFQUCHE-PXNSSMCTSA-N 436.934 4.739 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CSCCS2)CC1 1722564399 PFIFGTAWVYMNIQ-SJORKVTESA-N 434.606 4.562 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@H]2CC)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1722596072 BPPKRBHLNIGGQT-IOUIBGKWSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1c(C)nn(C)c1C 1722599348 CZBUTZHCNMVBIP-UHFFFAOYSA-N 429.572 4.836 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1722606681 FHOSZCNJNCSHFT-SFHVURJKSA-N 430.618 4.720 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1Cc1nc(C)c(C)s1 1722673423 RGYUFJRCHMSNCC-UHFFFAOYSA-N 430.581 4.697 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC1CC(F)C1 1722737948 XBIIGNFNDDLKBF-UHFFFAOYSA-N 427.549 4.704 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1723738132 HCOOGVCZKRCAKP-SLFFLAALSA-N 442.608 4.697 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1726419352 BUYHSGCEGZPSEG-CJAUYULYSA-N 432.572 4.602 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCCCCC2)nc1 1740541373 XTYDFAFLEBUZTR-OAQYLSRUSA-N 442.611 4.789 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)(C)C)CC1 1740583968 BGZBQJHINQBYPC-JOCHJYFZSA-N 437.632 4.759 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C(F)(F)C12CCC2 1740632271 QGLCUTYKYIDTHU-APWZRJJASA-N 444.913 4.580 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1740634374 DEDVGMXHWYUDKL-KESTWPANSA-N 436.346 4.838 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCN1CCCCC1 1740678413 AWNLRAYSTASJMZ-UHFFFAOYSA-N 425.596 4.522 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccco1)Cc1ccco1 1740743774 DWJPDVBEZGLULQ-SFHVURJKSA-N 447.333 4.821 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)CCCOc1ccccc1 1740747005 USXGELNOLBCRFZ-UHFFFAOYSA-N 447.402 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN(CC(C)C)C1 1740776806 CESAYVPHRKLGPQ-YTFSRNRJSA-N 445.696 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2cccc(C)c2)CC1 1740819268 KMUSRMUPIJGCIY-UHFFFAOYSA-N 442.361 4.580 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1740834600 CVRDZWVYCOOAPQ-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1740839922 QOFKZNWGHBIMIP-UHFFFAOYSA-N 445.464 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCc1cnccn1 1740846213 QZYGHKKIKSTOHO-UHFFFAOYSA-N 429.572 4.508 30 10 IJEE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C(=O)OC)C1 1740858145 JWKDICOEZXKLRI-OAQYLSRUSA-N 447.583 4.708 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@H](CC)C1 1740884266 VHKJXAYDJKWIOM-AZUAARDMSA-N 444.645 4.872 30 10 IJEE CC(C)(CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1741247278 FYIOTWKQZCHHOV-QFIPXVFZSA-N 433.478 4.815 30 10 IJEE C[C@H](CN1CCCCC1)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1741874865 CRIBDIKYJWDZEB-KCWPFWIISA-N 448.659 4.705 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(F)(F)F)cc1 1746838358 DOIHUFBKJMZVQG-MGPUTAFESA-N 437.466 4.509 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@@H]1CCO[C@H](C)C1 1748770701 DLSKNPCDUYXPJR-HSALFYBXSA-N 445.007 4.963 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCC(F)(F)F 1748867559 JEGPUWIKUXCXNA-IBGZPJMESA-N 432.490 4.840 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC[C@@H](C)N1CCCCC1 1748939998 BRRCZBYUBWNSLA-LEWJYISDSA-N 425.596 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCC1 1749053502 IBAGXZYAGKPYGC-BKMJKUGQSA-N 449.643 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(C)cs1 1749132704 CGCKZDBFZMFDQN-CVDCTZTESA-N 440.588 4.996 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](CC)C1 1749203668 HYNKHSSQUMTZAB-GOEBONIOSA-N 425.360 4.744 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749386402 DUDNVNXTYITESB-TZIWHRDSSA-N 425.577 4.507 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)(C)C)CC1 1749402471 ONHYHFKUGGYMGG-JOCHJYFZSA-N 440.588 4.931 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749417681 LVKKGWRHUJJVEL-HXUWFJFHSA-N 438.616 4.983 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1749419956 UZZLUQBSTULPPT-UHFFFAOYSA-N 434.588 4.650 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749430781 TZMGOCIFJIMLIO-LJQANCHMSA-N 428.024 4.799 30 10 IJEE CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1752084330 FTXRHNUPRCEWCH-MHECFPHRSA-N 440.661 4.602 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cccc(C)n1 1760121638 COFZKEFAQCDDRG-HXUWFJFHSA-N 431.584 4.559 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1760151683 KRCIYVNIOCRBFP-INIZCTEOSA-N 446.502 4.613 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1c(CC)noc1C 1760241274 VALOLHXSVURMJI-UHFFFAOYSA-N 433.487 4.533 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCSC1(C)C 1760241595 DSBDPPSAIGJBRT-PZJWPPBQSA-N 442.604 4.830 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCC[C@@H]1C 1760298973 BVSGXZFCUUEELG-FDDCHVKYSA-N 444.048 4.700 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760347986 KVXMRXUKMYXTOA-MAUKXSAKSA-N 437.371 4.745 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N(CC)CC)CC1 1760366523 BLXUQQKPWLFSHB-KRWDZBQOSA-N 435.975 4.620 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(C)nc2)CC1 1760399565 RETWZTZXOVEQTR-UHFFFAOYSA-N 438.373 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 1760415686 HWPVTLZCFJXPSS-FQEVSTJZSA-N 438.551 4.674 30 10 IJEE C=CCCCCn1c(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)nnc1C(C)(C)C 1760430813 UXLLFRCVZNNPGP-FQEVSTJZSA-N 425.621 4.824 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1760466687 FIIQDCWHFYRYIQ-NHCUHLMSSA-N 425.621 4.544 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1(OCC)CCCC1 1760481558 BPZYPYZUHWFSMG-JOCHJYFZSA-N 435.572 4.543 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(C)=O)cc1 1760486764 YKWHKSOFXCAGHL-UHFFFAOYSA-N 432.553 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C1CCCCC1)N(C)C 1760487982 IUDOOBLXAVDKRI-FGZHOGPDSA-N 443.661 4.894 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CCC#N)CCC(C)C 1760507576 PMRYRWZLUATEAA-UHFFFAOYSA-N 432.366 4.668 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccc(C)s2)C1 1766078051 HRXXYKHUCDWVBZ-HXUWFJFHSA-N 434.613 4.555 30 10 IJEE CCN1C(=O)/C(=C\C(Cl)=C/c2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772761609 BAPYZQIJTDILHF-DMRDTUBVSA-N 428.897 4.837 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 1772791753 YCJRCPBDFNDOIB-UHFFFAOYSA-N 427.334 4.866 30 10 IJEE COc1cccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)c1 1858905092 GPIUEZRIGUHMSU-SDNWHVSQSA-N 427.460 4.507 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1 1860728741 UJBXEHHPWBXAGF-ACCUITESSA-N 446.459 4.712 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 1862397475 MHLSGSZKGZHUIR-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1862438670 PBBVYSOGQUKGLO-QGZVFWFLSA-N 432.701 4.867 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(CC)cc1 1862458775 VJSXWMNQSRBEMA-OAQYLSRUSA-N 447.453 4.671 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482737 SKJPOWFPSBSDOX-UYAOXDASSA-N 445.437 4.771 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1F 1862506876 WRXBDCUOLDEUEZ-FQEVSTJZSA-N 426.444 4.667 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862557139 DWKFWYUQKUFFEU-OYHNWAKOSA-N 443.459 4.517 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 1862612763 AGBPQMFKUMBNEX-QHCPKHFHSA-N 434.580 4.823 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2C)cc1 1862688614 ZYKCWAJZDAJSCH-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(C)c2)c1 1862698728 MCIVDQKBQZGTAP-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1ccc(-c2nc3cc(C(=O)NC(C)(C)C(=O)Nc4ccc(C#N)cc4)ccc3o2)cc1 1866881023 BOCKTMFGBOUYID-UHFFFAOYSA-N 438.487 4.822 30 10 IJEE CCCCCCCCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1C 1870096451 UUCVDWCLDMZILI-UHFFFAOYSA-N 430.501 4.871 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c(C)c1 1870162195 OIKMTUZQPDPCNE-RBUKOAKNSA-N 448.958 4.689 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc([C@H](C)CC)cc2)cn1CC=C 1870662005 JSPKAIDRQPCGTM-OAQYLSRUSA-N 449.595 4.739 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CCCC)cc2)c(=O)cc1CN(C)CCCC 1870719727 VEGBQUKWYJJJQY-UHFFFAOYSA-N 439.600 4.626 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(/C=C/C(=O)O)cc3)ccc2C1=O 1871381960 HHFHDIMMORAPJM-NAAQGQMDSA-N 432.453 4.990 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871407828 SFUVZDPLBMWARF-VRHSPDTKSA-N 433.435 4.857 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871445779 MSZBKBWNDNYTMC-XYGWBWBKSA-N 444.483 4.928 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490970 YQZARMGNEATUKN-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCOCC2)n1 1871504367 DZIONGRQDIUPEU-UHFFFAOYSA-N 426.609 4.770 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871807135 BQSZTIVTXGSRKA-IERDGZPVSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872524277 WWDBELYWNUHGQT-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872776230 LDNOMTHQLYRLBY-MOXGXCLJSA-N 433.508 4.735 30 10 IJEE O=c1cnnc(SCc2ccccc2F)n1/N=C/c1cccc(OCc2ccccc2)c1 1873494691 FPUGYQKXKDHQAF-MZJWZYIUSA-N 446.507 4.531 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCCO)n2/N=C/c2ccccc2Cl)c1C 1874255566 ITBHPTXXFMDCQO-ZMOGYAJESA-N 444.988 4.792 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(O)cc1O 1874258145 LXQDZDIIPPZPRC-ZMOGYAJESA-N 438.553 4.771 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CCc3ccccc3)n2/N=C/c2ccco2)cc1 1874402128 JRYGAWWINFUMCN-PCLIKHOPSA-N 445.548 4.578 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)ccc1O 1874446441 ZJBHKAIWADEOLC-BBMHEYIBSA-N 442.516 4.548 30 10 IJEE Cn1cccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1[C@@H]1CCCO1 1874448999 PZJHJCOCAYFWPO-CBVHTYNASA-N 436.368 4.949 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1cccc(OC)c1 1874478250 WHUILPRQSJCFQW-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2F)c1C 1874494693 DVGOFEPONPCITA-DHRITJCHSA-N 437.544 4.915 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(F)cc1F 1874504401 PVSCYTPFALBQCL-BRJLIKDPSA-N 443.523 4.739 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OCC(=O)OCC(C)C)c2)c1 1874599603 VLEOGAGWYAYIAE-ZRDIBKRKSA-N 426.509 4.958 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)c(OC)c1 1874632670 PBTFUDSZKOQDQO-XNTDXEJSSA-N 431.488 4.926 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1Cl 1875174232 GXEVXWPMOUVDAY-GQCTYLIASA-N 439.291 4.849 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2F)C1 1890933355 OHPWBOHEOIRDDI-ZDUSSCGKSA-N 449.370 4.999 30 10 IJEE C=CCC1(Nc2cc(Br)c(Cl)cc2[N+](=O)[O-])CN(C(=O)OC(C)(C)C)C1 1902130686 HYKORCYYADGYDB-UHFFFAOYSA-N 446.729 4.988 30 10 IJEE CO[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1904977341 FRUMUAOVTOUJHR-IAGOWNOFSA-N 439.940 4.513 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC 1922074896 RILFZHLDXSQJRD-JCYRPKCISA-N 446.632 4.526 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953197760 HGYMGQKEXOQUEN-MHECFPHRSA-N 429.561 4.963 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C=O)Cc1cc(Br)ccc1Br 1982460488 UYLRUWFSNSYIGD-QGZVFWFLSA-N 447.167 4.723 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNc1cc(Br)c(Cl)cc1[N+](=O)[O-] 2078024377 YZQLMXFDBLPDCV-UHFFFAOYSA-N 434.718 4.894 30 10 IJEE Cc1cc(C)c([C@H](C)n2nc(C(C)C)c(/C=N/O)c2I)cc1C 2078980571 GVGXVMCURLPQKR-IEEVUCOHSA-N 425.314 4.954 30 10 IJEE Fc1cc(-n2nc(Br)c(Br)c2C(F)(F)F)c(F)c(F)c1F 2079260627 JFMCUHGJALSOFW-UHFFFAOYSA-N 441.926 4.973 30 10 IJEE COc1ccc([C@@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)c(C)c1 2080047589 GXCQRAHLLNKLAO-MRXNPFEDSA-N 441.313 4.557 30 10 IJEE CC(C)Oc1ccc([C@H](C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080128809 WHAPRGULWGIGCE-ZDUSSCGKSA-N 435.309 4.807 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCNc2ccc(C#N)c(Br)c2F)C1 2106043274 UHSIDDXZOUPACY-JSGCOSHPSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNc2cc(Br)cc(F)c2C#N)C1 2107450165 FTXKCRMTCNRSFI-IBGZPJMESA-N 426.330 4.909 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCC 2110508464 BVMIFLDRHQKGMY-CABCVRRESA-N 447.776 4.679 30 10 IJEE C=CCC1([C@@H](NCC)c2nc(C(C)C)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2143952210 TWKKOPTWTMBMOD-HNNXBMFYSA-N 441.414 4.759 30 10 IJEE COC[C@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CCCCO1 2146067217 WWYQWJTXMZCNLA-XLIONFOSSA-N 439.350 4.668 30 10 IJEE CC1(C)OB(c2ccc(CNC3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)cc2)OC1(C)C 2151201166 ZAIKUAIATAWCEP-NXMIGULDSA-N 446.444 4.661 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2163701229 ZORYYARCIJETNS-QZTJIDSGSA-N 428.349 4.808 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180988491 CJFHHLWYQHSXIQ-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(C#N)cc1Br)C1CCCC1 2181055988 OLOGYJBFZDXACC-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CN[C@H](C#Cc1sc(Br)c(Br)c1Br)C1CCC1 2216392748 IWZLSOJWVCPRCE-MRVPVSSYSA-N 442.014 4.775 30 10 IJEE N#Cc1ccc(Br)cc1NC(=O)CCCCCNC(=O)OCc1ccccc1 2220587766 IRHVXTWXCBIFPC-UHFFFAOYSA-N 444.329 4.746 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)c(C)c1Br 2229402601 OHGDWSZDLKHURN-CQSZACIVSA-N 445.423 4.945 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)C1CCCC1 2235732374 YXZVQPUDJPKZOP-SFHVURJKSA-N 435.406 4.958 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C1CC1 2243918927 NFWMLQYFRYXQNK-VWLOTQADSA-N 445.563 4.844 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3scc(Br)c3Cl)C2)OC1(C)C 2253630346 SGYZMWALYYFJBY-JTQLQIEISA-N 434.592 4.862 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)cc2Cl)C1 2263566570 RHAVIETYGNDFRN-UHFFFAOYSA-N 429.742 4.902 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3CCN(Cc4ccccc4)C4(CCC4)C3)CCC2)OC1(C)C 2267463041 YRJMUTPPHROGLM-OAQYLSRUSA-N 438.421 4.706 30 10 IJEE C=CCCC1([C@@H](Cc2cc(Br)ccc2F)NC)CN(C(=O)OC(C)(C)C)C1 2281048533 RFCOOIPKYITERY-GOSISDBHSA-N 441.385 4.922 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1cc(Cl)c(O)c(Br)c1 2293986866 BCORTEGJNJFORP-UHFFFAOYSA-N 427.682 4.839 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@H](O)C#Cc1cccc(Br)c1 2296220969 DNOOFFHNVHDRSD-VQTJNVASSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(N)C#Cc2ccc(Br)cc2)C1 2296227275 NILTULXJBYYSIT-VXKWHMMOSA-N 433.390 4.699 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(N)C#Cc1cccc(Br)c1 2296276696 KTTKZZBFXSLYQG-VFXZUJCTSA-N 433.390 4.602 30 10 IJEE O=C1C(=Cc2ccccc2Br)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 2296606540 PEQHHEKYWBRRBK-UHFFFAOYSA-N 449.304 4.812 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC(=O)N[C@H](C)c1ccccc1 2323212654 PXOUGYABYRMRGE-GOSISDBHSA-N 433.479 4.987 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(C)C 2323396356 ARZTXVGHUJHEKG-UHFFFAOYSA-N 438.977 4.703 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cccs3)c2)c1 2325743624 HJLPLMPRTVJCNI-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2326674316 NEFXGWXRFWOHPL-UHFFFAOYSA-N 441.944 4.644 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccncc2)c1 2328453837 HQBNLQRSIJHQIQ-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccccc1C 2329465294 UWHFGDDJBGRLDC-UHFFFAOYSA-N 449.624 4.523 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@@H]1CCCO1 2330949465 XHTXAPLCLYPMLS-FQEVSTJZSA-N 449.580 4.668 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCCC)c(OCC)c1 2330952079 ACPYDAAYAGQNDK-IBGZPJMESA-N 430.574 4.868 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccccc1Cl 2331222473 DQDMHWHSKIRGEG-UHFFFAOYSA-N 445.976 4.814 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1cnccn1 2331326030 QYDDLXITDSAKNN-UHFFFAOYSA-N 447.447 4.516 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)C1CCC1 2331405565 XVVLOPKLLMHJEC-UHFFFAOYSA-N 434.488 4.797 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CCC1 2331489284 PEBHFHLUEJUCOF-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE C[C@@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339574453 IGHBRPWFVQLENM-ASLVEYIASA-N 443.397 4.926 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(C)cc(Br)c1OC 2339680464 XDGSKVDPQQSVRF-DLBZAZTESA-N 427.383 4.886 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2358672421 XLWUDVASBUURAC-BWPNAZKDSA-N 433.390 4.567 30 10 IJEE CC1(C)OB(c2ccc(COC[C@@](C)(F)C(F)(F)F)cc2Br)OC1(C)C 2377307407 FCQQFZRISVPELE-MRXNPFEDSA-N 441.068 4.555 30 10 IJEE COc1ccc(C2=CSC3=C(C(=O)c4ccc(OC)c(OC)c4OC)CCN23)cc1 3293555 ATVBEUVSBMRNRE-UHFFFAOYSA-N 425.506 4.566 30 10 IJEE C=CCSc1nnc2c(n1)O[C@@H](c1cccc(O)c1)Nc1ccc(Br)cc1-2 9601910 GUQIGJAGAPWMGS-KRWDZBQOSA-N 443.326 4.788 30 10 IJEE CCOc1cccc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)c1 12241693 LJROQKGDTHJDMD-UHFFFAOYSA-N 425.492 4.868 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCC(=O)c3ccc(Br)c(C)c3)n[nH]2)cc1 20907845 UAFQSEGBQAMIDU-UFFVCSGVSA-N 444.358 4.605 30 10 IJEE COc1ccc(OC)c(/C=C\C(=O)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 34954440 FJLNSOJWHZAGKI-WQLSENKSSA-N 433.416 4.727 30 10 IJEE COc1cc(OC)cc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc(C(C)C)cc2)c1 45940653 JFQDNIIAQSCNIQ-UHFFFAOYSA-N 432.524 4.620 30 10 IJEE COc1cc([C@@H]2C/C(=C3\C(=O)C=Cc4c(C)cc(=O)oc43)Nc3ccccc3N2)ccc1O 136475232 BDAIFCHWOYWPAA-RPYJSOBJSA-N 442.471 4.638 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169987812 BBDMZEJSKOJFOD-SFHVURJKSA-N 442.399 4.717 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)c1 170079063 AWDOUQHAQOCNCE-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(C)o2)cc1 170103284 PYJBZZUJDUHCEB-OAQYLSRUSA-N 443.459 4.646 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170104283 MOKCAUJEWIHIDF-HSZRJFAPSA-N 432.520 4.654 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)c1 170121578 LTIFUCDJUBVJGD-IQMFZBJNSA-N 433.504 4.540 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccncc2)cc1C 170212567 HNTQRQHJZSMXJQ-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)c1 170230622 KOBAIWHMUCNLJY-XMMPIXPASA-N 442.515 4.895 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(O)c1 170259705 DHGLMJYYUHFLDC-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)cc1OC 170289337 YIJMSXJLGGARPD-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)cc1 170296142 HJAXOMGFFHKVJY-JOCHJYFZSA-N 435.451 4.984 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC(C)=O)cc1 170320563 OEADIDFFTGPUCF-QHCPKHFHSA-N 429.472 4.753 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC)c1 170323882 XZKFVZSIEFJXKD-XMMPIXPASA-N 443.499 4.629 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(O)c1)c1cccs1 170423627 QIIVDJZYSDKXEB-QFIPXVFZSA-N 444.512 4.756 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(O)cc1 170451589 XNYUXWUZYVUQOF-KRWDZBQOSA-N 428.897 4.780 30 10 IJEE CCOC(=O)c1ccc(N=Cc2ccc(OC(=O)c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 254882973 FBGDHWUKVXVOMQ-UHFFFAOYSA-N 448.431 4.750 30 10 IJEE COc1ccccc1NC(=O)CSc1nc2c(cc1C#N)C[C@@H](c1ccccc1)CC2 261527090 ZBAXJMBSWXXPJT-SFHVURJKSA-N 429.545 4.965 30 10 IJEE NC(=NO)c1cc(Br)ccc1CNc1ccccc1OCc1ccccc1 312603532 SOVVYXRAAHCRJB-UHFFFAOYSA-N 426.314 4.735 30 10 IJEE C=CCn1nnc([C@@H](C)Oc2ccccc2)c1SCC(=O)Nc1ccc(OCC)cc1 334161528 BNSFXRZXYQBXQS-QGZVFWFLSA-N 438.553 4.734 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@]2(CCCOC2)C1 460804772 OTEYPBWSRFMHIY-XMMPIXPASA-N 435.597 4.960 30 10 IJEE Cn1ccc(CNC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 482350920 WLYCFQBSDVDMKV-GFCCVEGCSA-N 448.289 4.561 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 508907997 QIXYNAJFESQBLM-JOCHJYFZSA-N 436.581 4.651 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])o2)cc1 526518297 ZQBRETBPGMCDAD-NRFANRHFSA-N 431.404 4.515 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)c1 526658899 DAFQFZIHVJJCNJ-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC)c(OCC)c1 526823547 WZLIWLAPHANSMD-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)NCCCCC)CC1 549297986 YPDXPDYZAJFAQG-UHFFFAOYSA-N 448.615 4.536 30 10 IJEE COc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2cccs2)c(OC)c1 549572632 BESGPQMZOWCSKL-UHFFFAOYSA-N 445.548 4.580 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 554932175 HWAJDHMQPRDVBI-QFIPXVFZSA-N 434.540 4.540 30 10 IJEE Cc1cccc(NC(=O)C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1C#N 560050665 AQXHZUZDLNPPBN-HSZRJFAPSA-N 447.922 4.533 30 10 IJEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1c1ccc(C)c(C)c1 569858613 QHUFERJICQXGEU-NRFANRHFSA-N 426.524 4.738 30 10 IJEE Cc1ccc(-c2cc(C(=O)NCc3ccc(C#N)cc3F)c3cnn(C(C)C)c3n2)cc1 609229278 ZTHWCSIGIPHZLD-UHFFFAOYSA-N 427.483 4.928 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2)c(Cl)c1 611836086 BTPZEWTXQLKMHW-LJQANCHMSA-N 442.306 4.656 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 733197783 SBSCOFGAVRGOMW-JOCHJYFZSA-N 443.528 4.529 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccccc1CSC1=NCCS1 735333234 VMZDORODIOHHIJ-UHFFFAOYSA-N 432.954 4.935 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)c2)s1 750280116 FKRSNMVOUXGBEA-NRFANRHFSA-N 439.581 4.546 30 10 IJEE COC[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(F)cc1 752857052 PIYGFPCGMFVWLG-HUBLWGQQSA-N 430.364 4.722 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 802604721 RQFMMBOVBRBACJ-UHFFFAOYSA-N 442.485 4.735 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@@H]1CCc2cc(Cl)ccc21 803238329 YRTGRPMQSNWPIX-CQSZACIVSA-N 428.819 4.654 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(F)cc1 813036512 IDXSJGCBYSDYTG-OSPHWJPCSA-N 447.485 4.881 30 10 IJEE CCCCOC(=O)c1ccc(N=Cc2cc(Br)c(N3CCOCC3)o2)cc1 1084418943 JYSHAHPHVSMTDC-UHFFFAOYSA-N 435.318 4.586 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1125289208 BHVBSRBZRDKFDN-FQRUVTKNSA-N 442.600 4.704 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)cc1 1126270101 YWDMTTJZWSWRRX-DNQXCXABSA-N 448.563 4.741 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 1129379271 HYBRJJKBARIOEV-RPBOFIJWSA-N 425.532 4.833 30 10 IJEE C#C[C@H](NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)c1ccc(Cl)cc1F 1129736302 ZGLDHJIQDDJFHZ-QFIPXVFZSA-N 437.946 4.691 30 10 IJEE N#Cc1ccc(N(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C2CCC2)cc1 1131578655 GEWRYYMRPZPBMB-GOSISDBHSA-N 441.453 4.511 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)n[nH]2)c1C 1137551492 JHGWKSMLMIWNQM-SFHVURJKSA-N 435.425 4.639 30 10 IJEE C=CC1(CC(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)CN(C(=O)OC(C)(C)C)C1 1142777171 CHZGPNVGTGDIRV-UHFFFAOYSA-N 446.551 4.905 30 10 IJEE C#CCONC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl 1147035425 PLRACZHBPKWZAN-UHFFFAOYSA-N 446.890 4.996 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1OC 1156688413 UFIHJDQROAVZQX-IBGZPJMESA-N 445.357 4.739 30 10 IJEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)c(C#N)cc1F 1164371659 FLWUZWAMURNBPP-UHFFFAOYSA-N 426.330 4.543 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H](C)c2ccc(F)c(C)c2)cc1 1194588259 HMXAFVSWRWHKJU-QGZVFWFLSA-N 434.515 4.711 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 1201431996 AQAIICDSWIHVJC-UHFFFAOYSA-N 438.503 4.915 30 10 IJEE C=CCN(C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)[C@@H](C)COC 1209835423 VZJKKMDFJMGULS-HNNXBMFYSA-N 446.345 4.756 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(Br)cn3)cc21 1220204185 DSJBORCFSNSBIB-GOSISDBHSA-N 426.318 4.749 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1)c1ccc(Cl)cc1F 1221718953 FQPCBSDZEASLPM-QRWLVFNGSA-N 434.342 4.941 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(F)c(F)c1 1227393991 IIXPKSLRQOHYQE-YWZLYKJASA-N 437.437 4.762 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1251830867 NNPBEGRLBBBITL-FGZHOGPDSA-N 435.568 4.839 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 1265547381 PHPHFROCGUMALL-UHFFFAOYSA-N 436.552 4.806 30 10 IJEE C=CCc1cc(C(=O)NC(C)(C)Cc2cccc(Br)c2)cc(OC)c1OC 1265562305 CWYWBMPVKDUIBA-UHFFFAOYSA-N 432.358 4.946 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(c2ccncc2)CC1 1286279896 YDKNIUOEWUIDDB-OFVILXPXSA-N 442.611 4.590 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2)C1 1286316701 XXPPALJRVZDMHP-GOSISDBHSA-N 438.373 4.833 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1286440811 ALZURPNVFVYOJR-GCJKJVERSA-N 437.588 4.688 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC1(c2ccccc2)CC1 1286537675 HUZFJPBUTKIPTJ-SFHVURJKSA-N 431.378 4.596 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286539983 HNOFOLAYBZRSTQ-ZDUSSCGKSA-N 445.814 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCc2cccnc21 1286583597 OZTVVKKQLNGWJX-OAQYLSRUSA-N 447.583 4.783 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@@H](C)C1 1286604497 LSIRCVXXHNBLHH-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1286640861 ONLPGGRKAOKOTK-QUCCMNQESA-N 443.389 4.845 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2cccnc2)CC1 1286653815 ARTQLLYEKMYWLO-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1286669487 HRASWQJRIOISFC-QFIPXVFZSA-N 431.584 4.780 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286674352 PCWQCGOBFAVQCZ-UHFFFAOYSA-N 440.617 4.960 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286695872 LLCHMRWCXRESFI-SFHVURJKSA-N 431.968 4.668 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286696138 UXEPRQPDJQPQAR-OAHLLOKOSA-N 449.393 4.686 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](C)(CC)C1 1286699744 VWLJARPXUKXHKU-XMMPIXPASA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1cc(Br)cs1 1286702048 FDJQBBRASTXETD-UHFFFAOYSA-N 432.391 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1sc(C)nc1C 1286750456 AURGCBWDAXEAHP-GOSISDBHSA-N 429.615 4.700 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1286750949 JXAPOJIYERAGPY-JTHBVZDNSA-N 438.664 4.855 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCSC1(C)C 1286758402 MHCGPJUPTGGCSK-PXNSSMCTSA-N 426.586 4.501 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1286771141 YNODWOLMSRQCSP-GOSISDBHSA-N 432.012 4.816 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1286822167 BSJKSIBEJIIIEZ-HKUYNNGSSA-N 430.593 4.949 30 10 IJEE C=CC1(CC(=O)Nc2c(-c3ccccc3)nc3ccccn23)CN(C(=O)OC(C)(C)C)C1 1290291093 UHWLGNYRRJIJLV-UHFFFAOYSA-N 432.524 4.753 30 10 IJEE CCc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@](C)(O)c2cc(C)oc2C)cc1 1292475924 FRLQEZDQEVXRKT-AREMUKBSSA-N 447.583 4.755 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)c(C)s2)cs1 1292726394 HNXILCMAQJNCNS-UHFFFAOYSA-N 449.609 4.594 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1(C)C 1296930240 DNBAJFANYWOOHP-RTWAWAEBSA-N 439.604 4.519 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CCC(C)CC1 1299800352 CANHZXQXUHKKHO-AAXCNWCCSA-N 439.629 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCC(F)(F)C1 1300267786 KPHYLBSVOBRYER-MOPGFXCFSA-N 443.542 4.821 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccc(Cl)s1 1300352266 HNXAOPLTHWEORJ-UHFFFAOYSA-N 442.972 4.871 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](COC)C1 1300384370 OKVJGVXYVJNAPH-UXHICEINSA-N 445.007 4.965 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CC[C@@H](F)C1 1300509612 QJKGBEUDFDQQLM-QKNQBKEWSA-N 442.966 4.899 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1ccnc(SC)c1 1300650563 VCSVLPHQGGGLTJ-UHFFFAOYSA-N 437.588 4.811 30 10 IJEE C=C(Br)Cn1c(N2CCO[C@](C)(CC)C2)nnc1C1(c2ccccc2)CCC1 1300862769 DSIGIKHBIYFRTQ-OAQYLSRUSA-N 445.405 4.662 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCOCC 1301143449 KRIVQTYXOBOUIZ-UHFFFAOYSA-N 427.412 4.844 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CCC1 1301188395 IVKFRZBECPHQRY-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)OC(C)(C)C1 1301207680 DIYLCNDFOYSSOG-ZDUSSCGKSA-N 425.396 4.739 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@H]1CCN(c2ccccc2F)C1 1301402327 LSXUWOYCOYIJTL-FQEVSTJZSA-N 437.563 4.895 30 10 IJEE CC(C)(C)CCCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302187026 HAZVKIILJBSFES-UHFFFAOYSA-N 447.562 4.504 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1ncc(CO)n1Cc1cccc(F)c1 1307353391 SEPBJSDNVQXCQE-UHFFFAOYSA-N 443.569 4.572 30 10 IJEE C#CCN(C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1308633280 IHFZWHKRQCZFQL-IOUFHMPJSA-N 425.370 4.987 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)C1 1310350877 YLIAOMQDZIQKLC-NRFANRHFSA-N 447.558 4.951 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@@H](C)[C@@H]3CCNC(=O)OC(C)(C)C)cc2n1 1311235543 NLQCWQJMCXIBBW-UTKZUKDTSA-N 441.576 4.770 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(F)c(F)c1 1311610908 ALRRSMYTVCIJNS-PXAQALGRSA-N 447.501 4.834 30 10 IJEE C=CCO[C@@H]1CCN(Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)C1 1320156221 IQTGEXJCGWXZAO-GOSISDBHSA-N 425.476 4.623 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(Cl)cc1Br 1351779880 HSCUGQBDWPRISW-UHFFFAOYSA-N 433.733 4.958 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1 1352552559 LDUFVWKCCUPDTB-UHFFFAOYSA-N 442.581 4.847 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1Br 1355139382 HWCHNEBOONHOAG-UHFFFAOYSA-N 427.220 4.833 30 10 IJEE C=CCCn1cc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)nn1 1355754097 LBTIYPFBXYZLKX-UHFFFAOYSA-N 429.549 4.867 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C1CC(C(C)(C)C)C1 1358900645 PHLTZTHDZMISHE-JOGYUHMRSA-N 429.609 4.504 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCC(C)(C)COC 1358987079 RFGTWOVTSBQJKH-UHFFFAOYSA-N 443.595 4.717 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)c1nccs1 1359002829 OMHNUDIULQHGLX-ZDUSSCGKSA-N 448.365 4.566 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CCC)C1 1359128852 HYIORMJIZLIKJG-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1359151935 HFTYSBRMDZAXGZ-IAGOWNOFSA-N 436.934 4.543 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1359155735 HYDMWMWTPXHALB-UHFFFAOYSA-N 433.261 4.962 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)c2nccs2)CC1 1359175875 DEIXSWBMNHQIPU-MRXNPFEDSA-N 439.585 4.625 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1359193768 JDICVUINSZVKIA-QHCPKHFHSA-N 432.616 4.564 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1359252476 STEDOTJUKAROTA-PMACEKPBSA-N 439.623 4.919 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1c(CC)noc1C 1359275626 ZATKTTKSDSIPIY-HSZRJFAPSA-N 435.572 4.662 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)n1 1436506110 DFHUJELQFIKWFB-UHFFFAOYSA-N 435.281 4.529 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)cc1C 1439433396 BUDQTOAXYIVQKI-UHFFFAOYSA-N 441.535 4.706 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(Br)ccc21 1441953647 XKLXQEOANIFFOC-OAHLLOKOSA-N 443.769 4.764 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1448720562 OZAIZAGPEGNGAR-QGZVFWFLSA-N 439.364 4.975 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1449314352 JAQNDKOPBOABAO-FQEVSTJZSA-N 442.918 4.810 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1cccc(C(=O)OC)c1Cl 1458987020 UXUXHCOUICPGIQ-UHFFFAOYSA-N 429.929 4.775 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)C(F)(F)F)cc1 1460041778 NYKUMNJRFNFCCC-FQEVSTJZSA-N 448.418 4.695 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 1460842339 AEHLHNCMJSFDQN-WIOPSUGQSA-N 426.516 4.546 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)CC1 1462567970 CWOHWFCWMASZRJ-CTYIDZIISA-N 437.396 4.672 30 10 IJEE N#C[C@]1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC12CCCC2 1463652219 DJMMURKTIXOUIZ-NRFANRHFSA-N 429.929 4.553 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1[nH]cnc1C(=O)c1ccccc1 1464770461 HHZIMHJQIIRVOQ-UHFFFAOYSA-N 436.471 4.652 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1467227956 VFTXAJROWPTQDX-RTBURBONSA-N 440.943 4.629 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1C#N 1467785028 BAAVZBUMMHUBGS-KPZWWZAWSA-N 446.345 4.740 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(Cl)cc1 1468720518 LRQVFSDRLAYSAE-JOCHJYFZSA-N 438.936 4.554 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@@H]1COc2ccccc2O1 1470563747 VWKXNRUKXANZHA-QGZVFWFLSA-N 449.320 4.516 30 10 IJEE CCCOc1ccc(NC(=O)NC(=O)CSc2cccc(C#N)c2)cc1OCCC 1472996540 DUYHRLRZONNIOI-UHFFFAOYSA-N 427.526 4.576 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2ccc(OC)c(C#N)c2)c2ccc(OC)cc2OC)cc1 1476996772 GFGXEPMEEJXRIN-XMMPIXPASA-N 447.491 4.504 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN([C@H](CC)c3ccc(Br)cc3)CC2)cc1 1477192983 YQDKGUJKGFMBMU-OAQYLSRUSA-N 426.358 4.731 30 10 IJEE C=CCc1cc(CNC(=O)N2CC[C@H]2c2ccc(Br)cc2)cc(OC)c1OC 1477657031 DTZNKHNJRVJOPL-IBGZPJMESA-N 445.357 4.851 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCCC[C@H]2C)cc1 1492436339 HQLURUNAZIJQOS-NHCUHLMSSA-N 440.661 4.882 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1502927409 BNYLXFORODXFKV-AVRDEDQJSA-N 430.556 4.674 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@@H](C)C1CCC1 1507555296 LMJGRPOAWKYZGC-INIZCTEOSA-N 432.410 4.865 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N[C@@H](C)[C@@H](OC)c1ccccc1Cl 1507589952 SYCQTAYWYKUNDJ-YCRPNKLZSA-N 444.004 4.889 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](CC)OC 1507664914 WUUJXORRKRPETN-FQEVSTJZSA-N 436.556 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCO[C@@H]1CCCC[C@H]1C 1507668903 ODCRXBAXFLOYLH-ZJSXRUAMSA-N 441.579 4.552 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(C)CCOc1ccc(Cl)cc1 1507775034 GSZPYOLOETVOBX-ZDUSSCGKSA-N 427.774 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1507798992 QALIXSKYQKVWMP-JBPLPALLSA-N 430.637 4.632 30 10 IJEE C=C(Cn1c(-c2ccccn2)nnc1N1CCC(C)=C(Br)C1)c1ccccc1 1507852061 HSKZFVNOBLVVKZ-UHFFFAOYSA-N 436.357 4.933 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1Nc1cnn(CC2CCC2)c1 1507871710 XZIWSYXNKCXIQT-UHFFFAOYSA-N 426.952 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC2(COC)CCC2)CC1 1507879210 PAJUSUXWYKOJEI-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1507909471 GTBSZIBQZHQHQN-MRXNPFEDSA-N 441.576 4.967 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCO[C@@H](C)C1 1507957480 ZVZOMBBZFQXKLZ-HNNXBMFYSA-N 425.360 4.745 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1nc(C)c(C)s1)C1CC1 1507995477 KUHBRTBBMGSRBX-UHFFFAOYSA-N 444.004 4.981 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCC1CCN(CC)CC1 1508004489 GFAKESXPSNMRKD-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCOc1ncccc1Cl 1508006064 HNZAUBTZZIVOEL-UHFFFAOYSA-N 431.993 4.957 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)N1CCCC1 1508006492 FGZQPJOQFKBUCG-HXUWFJFHSA-N 436.629 4.777 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(C2CCCC2)CC1 1508048289 XVAJQQMNPGYLKA-UHFFFAOYSA-N 444.421 4.657 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1508061226 LKXIYDXBVBAQIE-UYAOXDASSA-N 429.609 4.595 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC=C(C)CC2)cc1 1508103049 BPPLHBZSJVHTOE-DHIUTWEWSA-N 436.600 4.966 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2ccco2)n1 1511148303 FIFLNNJIAFDSSL-IBGZPJMESA-N 426.524 4.943 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2CCC(C)C)cc1 1516302584 IFHSPCXNHQXXIX-LJQANCHMSA-N 425.577 4.993 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(c2ccccn2)CCC1 1520282535 HDLWQGILSBDKMB-IBGZPJMESA-N 446.624 4.911 30 10 IJEE C=C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1521720433 RVOKZOSVEUKYBU-UTKZUKDTSA-N 441.369 4.729 30 10 IJEE C=C(C)[C@H](NC(=O)Cc1ccccc1I)c1ccc(F)c(F)c1 1523230227 BQLUCKZDAFJUBU-SFHVURJKSA-N 427.232 4.546 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 1532131087 VXSZEKYOSAGVKU-UHFFFAOYSA-N 440.499 4.599 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 1535320410 CEWZQELJWMAXMW-QHCPKHFHSA-N 429.923 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12 1538572589 WWBQMYSEKZWMMY-YCRPNKLZSA-N 429.358 4.894 30 10 IJEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CCC)Cc1ccc(F)cc1F 1539127070 AHLNAOFJPYLFOX-UHFFFAOYSA-N 448.521 4.625 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)cc1 1539198150 RZVMPISXEAXVHX-UHFFFAOYSA-N 440.503 4.991 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1539278876 MZDSPKBORQDEDX-FYYLOGMGSA-N 436.625 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](OC)[C@@H](C)CC 1539538755 MRYJCNJIAJNBAT-MWRIXTAVSA-N 428.552 4.610 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1539874252 KZKXIVJVPOQEEG-JXHRLWIKSA-N 440.563 4.941 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1539918029 ZJNNRVFCOBXEMV-RTBURBONSA-N 429.634 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539930652 ALIDOLRQPXFOHC-JWQCQUIFSA-N 448.652 4.562 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cscc1C(F)(F)F 1539944380 CJAIXCYSVITZLU-UHFFFAOYSA-N 438.523 4.990 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C1CCCCC1)N(C)C)C1CC1 1540098973 OMTIMULVDHMTBU-QFIPXVFZSA-N 438.576 4.519 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC[C@@H]1CCCCO1)C1CC1 1540103065 ZSUPNSZNYBASIQ-KRWDZBQOSA-N 431.378 4.822 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 1540950015 KBMCNKKVCPETFD-HXUWFJFHSA-N 447.938 4.959 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1554164916 BSIVQDGGNIELPD-VQTJNVASSA-N 429.515 4.506 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2ccc(OC)cc2)C1 1556707548 APBQAYDSXFQSPO-AZUAARDMSA-N 436.980 4.512 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C 1557510574 NXQJZTALSZZEPZ-VQTJNVASSA-N 434.552 4.754 30 10 IJEE Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)ccc1C#N 1561568274 BLODKMUTSHZCOD-OAQYLSRUSA-N 433.558 4.739 30 10 IJEE C#Cc1cccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1 1563487229 ZVNHGFGRFPEJES-RUZDIDTESA-N 436.559 4.847 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](CC)Cc1ccc(Br)cc1 1565120590 SYLYTFOVFFDHIA-SFHVURJKSA-N 435.362 4.643 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1 1568455904 VYBAPESTYQHBCH-IBGZPJMESA-N 438.528 4.522 30 10 IJEE C=CC[C@@]1(C(=O)NCC2(c3ccc(OC)cc3)CCC2)CCCN1C(=O)OC(C)(C)C 1583266008 NLRAABAQIGOJFD-VWLOTQADSA-N 428.573 4.579 30 10 IJEE N#C[C@@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)c1cccc(Cl)c1Cl 1585271854 QCFAOPKHNQLVNX-CYBMUJFWSA-N 443.212 4.606 30 10 IJEE C=CCCC(C)(C)NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1585520277 JDIOTGJQBCJQPN-UHFFFAOYSA-N 428.598 4.750 30 10 IJEE C=CC1(CC(=O)N[C@@H](Cc2ccccc2)c2cccs2)CN(C(=O)OC(C)(C)C)C1 1585863053 BJNLPKGXZNMIIW-IBGZPJMESA-N 426.582 4.961 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 1586027316 JZLKCSLMLQJSHM-YTTGMZPUSA-N 445.544 4.855 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCOCC)[C@H]1CCc2ccccc21 1587276483 AHQHVAQQCLDEDG-PMACEKPBSA-N 436.980 4.575 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C(F)(F)C12CCC2 1587561963 JIXPIHAMZMPVEL-MPGHIAIKSA-N 434.918 4.965 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1587777535 IQUXZKZVAGZIRN-YLJYHZDGSA-N 426.611 4.762 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCCCCC1 1587922124 SLFFEPOPIWCUGC-UHFFFAOYSA-N 435.597 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(OCC(F)(F)F)cc1 1589233492 JOVGGBAOBNNUBC-HSZRJFAPSA-N 446.517 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCO[C@@H]1C(C)C 1589687919 TUGJMUKEPFRVMJ-ZJSXRUAMSA-N 426.605 4.937 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(OC)ccc1Br 1593654731 HHIRLDVNMXUGEO-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CN(C)CCC)C1 1593671538 MGPYEUWYZOCLHU-OAQYLSRUSA-N 439.648 4.899 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1593840324 GHLCVQMQZOFOQV-LJQANCHMSA-N 444.023 4.639 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1593840435 HVJGNHVWVTYRJW-AWEZNQCLSA-N 439.785 4.772 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[S@@](=O)C(C)(C)C)CC1 1594014222 QKVGIKDAHVMUJG-PLTNMMHCSA-N 444.645 4.739 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@]1(C)CCCS1 1595132972 BCWQFGOIBJCFQT-CVDCTZTESA-N 430.593 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCC(C)CC1 1595185171 PRNGAILQRNMGDA-UHFFFAOYSA-N 444.421 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1ccccn1 1595190340 BEIBNJUOBRJOEQ-UHFFFAOYSA-N 438.373 4.832 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1595707538 XGTNRYNDGIQNDO-FCGDIQPGSA-N 430.980 4.583 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1595854441 BRFGQFZUNAFQCU-MAUKXSAKSA-N 427.401 4.786 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1596839996 AOXITKZUOJDKCK-FGZHOGPDSA-N 436.648 4.560 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(CSc4ccc(F)cc4)cc3)CC2=O)cc1 1597190009 FALMKXBTRMEUDK-LJQANCHMSA-N 445.519 4.981 30 10 IJEE Cc1nc(CCn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@H](C)C#N)cs1 1612418905 CTSAPCHZCBTLQT-LSDHHAIUSA-N 440.642 4.735 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3cccc(F)c3)C2=O)nc2sc(C)c(C)c2c1=O 1613270085 XZQCDAWRPBTHOQ-KRWDZBQOSA-N 443.569 4.688 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CSC1CCC1)c1ccc2c(c1)OCCO2 1613801168 PSGSUKKUFMGGLO-UHFFFAOYSA-N 425.550 4.842 30 10 IJEE CC(=O)N(c1cccc(Cl)c1)c1nc(Cn2cc(C#N)c3ccsc3c2=O)cs1 1614832487 YPHGNBHBXIUMOU-UHFFFAOYSA-N 440.937 4.777 30 10 IJEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C(C)C)CCC(F)(F)F 1615637594 AHPMDYJPZIGUCP-HXUWFJFHSA-N 448.537 4.716 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CCOc1ccccc1C(C)(C)C 1617597152 DPEHBAFYIJOFTA-HXUWFJFHSA-N 437.584 4.639 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cnn(-c2ccc(F)cc2F)c1C 1620990477 UITNRIGKKWEWAH-UHFFFAOYSA-N 432.268 4.846 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)c1 1626175179 SBHWIWQIQHJDLL-UHFFFAOYSA-N 449.576 4.528 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1629020638 ULGPQANFQZATFE-OAQYLSRUSA-N 430.593 4.664 30 10 IJEE C=C(CC(C)C)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)OC(C)(C)C 1631717481 SQMYEVKAXYZXEB-SFHVURJKSA-N 430.545 4.784 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1Cc1ccc(OC)cc1 1632211590 HOEDMTIRYHRKGG-UNMCSNQZSA-N 430.589 4.868 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccccc1OCc1ccccc1 1634193039 BAHWBSFADKPDMG-DNQXCXABSA-N 426.516 4.943 30 10 IJEE Cc1cccnc1Oc1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 1635679616 HGKIZGWKGAQJOO-HSZRJFAPSA-N 446.938 4.858 30 10 IJEE CC(C)c1ccc(C2(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCCC2)cc1 1638202801 FGACUPQJBBMOCV-IFMALSPDSA-N 439.600 4.887 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1 1638814192 ISCRVLSXENKNKA-GOSISDBHSA-N 448.338 4.674 30 10 IJEE C=CCCC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1641773775 TWELSYRTIBVWJH-UHFFFAOYSA-N 436.961 4.624 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)c(Cl)c1 1653073034 RNLDYHVFASGZAG-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE C=C(C)CN(CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1)Cc1ccc(CO)o1 1653574320 BSJRJKFLKXGJMB-UHFFFAOYSA-N 439.581 4.837 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)NC1CCC(c2ccc(C(C)(C)C)cc2)CC1 1655255111 BBJRYXJGCOTDOD-UHFFFAOYSA-N 426.582 4.869 30 10 IJEE CCc1ccc(CN(CC(C)C)S(=O)(=O)c2cccc(Br)c2C#N)cc1 1662683690 AXOVZMVMOQWNPM-UHFFFAOYSA-N 435.387 4.730 30 10 IJEE C#Cc1ccc(NC(=O)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)cc1 1665210974 AQXLPDSQXSOWJP-FQEVSTJZSA-N 427.342 4.952 30 10 IJEE C[C@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 1666293609 FQTGFVPZDFTVSJ-FQEVSTJZSA-N 442.563 4.726 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C)CN1Cc1ccccc1 1669625714 AEPAFUWLGSMXNW-ZWKOTPCHSA-N 448.958 4.524 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 1672064210 VDQRTYVNYLRMKS-HNAYVOBHSA-N 426.492 4.629 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)cc1 1673626554 XCKOJWSPJAWAPI-UHFFFAOYSA-N 447.432 4.508 30 10 IJEE C#CCN(C(=O)Nc1cncc(C(F)F)c1)[C@H]1CCOc2ccc(Br)cc21 1674362392 WAZUJJYCHAAHSX-INIZCTEOSA-N 436.256 4.773 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 1677638808 IXBWCSFRFBJCIH-IBGZPJMESA-N 426.516 4.688 30 10 IJEE C[C@@H](NC(=O)NCc1ccc2c(c1)OCCCO2)c1ccc(-c2cccc(C#N)c2)cc1 1678151546 AVWNEXFTWFOTRD-GOSISDBHSA-N 427.504 4.947 30 10 IJEE COCCn1ccc(NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)n1 1678483888 DIRUWXCBNREYIK-UHFFFAOYSA-N 427.917 4.850 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cnc(OC)c(Br)c1C)c1ccc(F)c(F)c1 1680514453 DUMPKPWHQJYCEP-MRXNPFEDSA-N 426.261 4.878 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1684682732 VSSYXUSGXYBTJI-LJQANCHMSA-N 433.568 4.949 30 10 IJEE C#C[C@H]1CCCN(C(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1 1684770167 ARUSGYCAZGBYQX-CABCVRRESA-N 432.387 4.997 30 10 IJEE Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1686295298 IDVALLAIFNXHKD-QFIPXVFZSA-N 444.501 4.824 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)N[C@@H](c3ccc(F)c(Cl)c3)C3CC3)CC2)cc1 1686504657 AOWPWMBVRUDLLC-HSZRJFAPSA-N 440.950 4.719 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1689887233 UDWXIIRXCSMVNT-LJQANCHMSA-N 434.613 4.855 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OCC2CC2)nc1 1689954095 LDBSCAFJTOEEBM-UHFFFAOYSA-N 442.350 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCOC1CCCCCC1 1690214468 KXKHMAAIQMNRFW-RUZDIDTESA-N 440.563 4.728 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N(CC)Cc1cccs1 1690229716 DPPSZDJWRRXQCJ-UHFFFAOYSA-N 447.402 4.874 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1690382573 UFKIOMQVRISRKY-UNMCSNQZSA-N 438.616 4.862 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2cc(C)no2)CC1 1690397041 UERZRDNPPYDRCA-SFHVURJKSA-N 437.544 4.564 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](CC)OC)CC1 1690402635 KEPRGHRKOQEAPY-MRXNPFEDSA-N 437.357 4.674 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC2(C1)OCCO2 1690447592 SOHWFOXCXITDLT-GOSISDBHSA-N 445.995 4.719 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690449666 NDGPIIUBPRRTED-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](COCC)C1 1690453762 IGOCUGQOLIBKOG-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2(C)CC2)C1 1690687718 IDEKKIWZJCGLJX-SFHVURJKSA-N 431.378 4.679 30 10 IJEE CCc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1694530415 HDVQXIAVHDXBJJ-QHCPKHFHSA-N 439.560 4.798 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1Cc1ccc(-c2ccsc2)nc1 1705499362 PSBQKPRUBAEIFB-IBGZPJMESA-N 427.577 4.693 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCc1csc(C(C)(C)C)n1 1705501288 XNNGQRSMTDIHAU-SFHVURJKSA-N 446.624 4.736 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1705530100 SOBXFDUQEHNTBJ-OALUTQOASA-N 442.007 4.533 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(Cc2cccs2)CC1 1705745100 AECGJEYZHOBSQZ-NRFANRHFSA-N 442.032 4.956 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)c2nccs2)CC1 1705785167 YIFOMUWRJZTUTO-QGZVFWFLSA-N 439.585 4.528 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1 1705798023 IQVKFSOOYSHROT-UHFFFAOYSA-N 426.609 4.900 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705815015 IJSFJCAGRPQEPG-JTHBVZDNSA-N 432.616 4.874 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(F)cccc2Cl)C1 1705921138 MDKRHGRRMBMUEU-OAHLLOKOSA-N 448.329 4.616 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CCc2ccc(Cl)s2)C1 1705926381 CJJLJZIXDJMLDH-IBGZPJMESA-N 443.016 4.802 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCCCC 1722283598 VUAVGFVASUIFKN-CQSZACIVSA-N 439.785 4.636 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1722284678 ZCLQOZQMRVWESM-UTKZUKDTSA-N 444.645 4.977 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)Cc1cccs1 1722387542 HHKMQOUQPYUDJN-HXUWFJFHSA-N 434.634 4.892 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC(C)(C)N[C@H](C)c1ccccc1 1722399178 PTKHHISKVQVSKZ-JOCHJYFZSA-N 431.628 4.603 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1722400209 JRXGOBDLRLKMGW-VWLOTQADSA-N 429.612 4.544 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nccn1C(F)F 1722470168 QMLMQPSNINMSML-XMMPIXPASA-N 438.526 4.875 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCC(C)CC1 1722530265 PUCYTWULYKSRKU-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCn2ccc3ccccc32)CC1 1722573402 WWYIUKNIEZPNEZ-UHFFFAOYSA-N 448.615 4.644 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722610782 QQFPZWVSGDKRLT-VQTJNVASSA-N 441.645 4.608 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CC(F)(F)Br 1722660485 WQZTWXRBPDGZJH-UHFFFAOYSA-N 429.284 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(C)CCOCC1 1722661767 RBHJXLUQOOSRLP-UHFFFAOYSA-N 433.581 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(OC)cc1 1722662821 NXIJNYWVOGDSDK-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc([C@@H](C)O)cc1 1722663140 TXQUCAGWFWAAHM-GOSISDBHSA-N 433.581 4.639 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCCN1CCCCC1 1722663615 CZKBAQDNLMWHPL-OAQYLSRUSA-N 429.634 4.650 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1722669528 VGKCLTUDWHCWJS-ISKFKSNPSA-N 429.568 4.995 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C)c1 1722689879 IHVZBMFTTJQLLX-OYRHEFFESA-N 437.588 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CCOC)CCCC1 1740536430 GQYMMPRPMLRYAL-KRWDZBQOSA-N 432.515 4.601 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1740566356 SUCHUMYFSPYIKK-HXUWFJFHSA-N 444.526 4.603 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740567720 VJBHGHZTMWYNIO-BSIFCXSSSA-N 445.007 4.699 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1740583483 PRMWMUDNQHMVJI-RTBURBONSA-N 445.405 4.761 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OC2CCCC2)CC1 1740584436 LCSWATDIMIJARJ-UHFFFAOYSA-N 442.991 4.949 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CC1(SC)CCOCC1 1740725124 HRIDSTIHUNUEIC-XUZZJYLKSA-N 438.641 4.724 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740800583 GMQWLNKYBLXADQ-QHCPKHFHSA-N 445.995 4.541 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)cc2)CC1 1740819201 HREMEADUBISZRH-UHFFFAOYSA-N 426.362 4.559 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1740825210 UZWKKDCCDWPAJQ-QRVBRYPASA-N 428.552 4.917 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H](OC)C(F)(F)F 1740893942 CQJUODXMQURHDC-DYVFJYSZSA-N 428.524 4.721 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccnc(SCC)c1 1740894433 UIYTUJKWRZVJPW-UHFFFAOYSA-N 444.402 4.885 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1741003802 FUMIHYZEOIPQRP-HXUWFJFHSA-N 440.638 4.852 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1748710567 TZRJVOAAQHTFII-FQEVSTJZSA-N 432.490 4.946 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1748732112 SRJJLCNEQPUZGB-NTKDMRAZSA-N 440.613 4.564 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1748938773 CCOABXDYLQWKHD-PXDATVDWSA-N 439.673 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCCOCc1ccccc1 1749060511 SHIHQKMCKFEFJH-RUZDIDTESA-N 449.986 4.983 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1c(C)noc1C 1749069376 XNUOWMYJFSSRGH-OYLFLEFRSA-N 439.510 4.548 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1ccsc1)N(C)C 1749161766 DKOURQKSBPLDTL-NRFANRHFSA-N 445.583 4.914 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749357101 JFBZXHMSBSSLDX-FQEVSTJZSA-N 438.616 4.884 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749391098 LBEYURMEOLNXNB-ATIYNZHBSA-N 438.616 4.951 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1749440137 SKVQBYQTFROUFK-HSZRJFAPSA-N 428.602 4.552 30 10 IJEE Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2CCCCO2)s1 1751795954 GZIWFCCPFWXLDF-FQEVSTJZSA-N 436.585 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CN(C)C 1760097223 BUUCNVAEYRWGQA-RBUKOAKNSA-N 446.039 4.734 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1760108286 ZWTHHPKFRKHEOJ-QGZVFWFLSA-N 436.991 4.777 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(OC)CC1 1760130769 LQHBRNXUNDHDCC-YADARESESA-N 428.552 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1Cc1ccnc(SC)c1 1760298423 HLFIHUKTFNOXQG-RUZDIDTESA-N 447.608 4.631 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1760420731 VBZMGMFKOKDQDX-UHFFFAOYSA-N 443.611 4.782 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]2CCC[C@H]21 1760447206 JMOLRNMKOMIPDE-QKNQBKEWSA-N 428.552 4.919 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@H](C)N1CCCCC1 1760455960 DEIOHHWGQOPICF-RBUKOAKNSA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCSC1(C)C 1760482911 WDPSLSPUQFEUCT-JOCHJYFZSA-N 433.625 4.988 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H](C)N1CCC(C)CC1 1760484800 KUWQEQBYQZAHOZ-OAQYLSRUSA-N 427.612 4.929 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCc2cccnc21 1760491201 XGWOZVMEZBKTHZ-FQEVSTJZSA-N 430.512 4.547 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CC[C@H](CN2CCCCC2)C1 1760532144 LYUVIEOARKSRRT-FGZHOGPDSA-N 437.632 4.717 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1760532705 CCXDSAGYQXFVSF-OAQYLSRUSA-N 440.588 4.527 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)C1 1761542019 AQZHOEFGEAYTFF-JOCHJYFZSA-N 436.972 4.904 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1cccs1)N1CCCC1 1764230254 DXXJKHNKQCSDBU-NRFANRHFSA-N 434.613 4.779 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1CCCCO1 1772522903 LKHOZOGIZLVMQE-WZONZLPQSA-N 428.964 4.558 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1772555024 RVDKZJDVGCYGSJ-SJLPKXTDSA-N 432.515 4.764 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cc(Cl)ccc1SC 1861898312 YJFNVXXBDVFQKD-NRFANRHFSA-N 443.012 4.533 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(O)cc2)cc1C 1862400695 KNRHCQNVVVOEHV-QFIPXVFZSA-N 449.528 4.592 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 1862473875 HWCYSSYFNSPYRQ-QHCPKHFHSA-N 438.543 4.834 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccn2)c1 1862492932 DGVZAPGVFGGANO-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)c1 1862505837 GLOGHFOQUDSNLY-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(N(C)C)cc1 1862526724 XSUCQNVWKYJAPC-IBGZPJMESA-N 443.341 4.502 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc(F)c1 1862570860 DGAOGAFTLBPZCJ-NRFANRHFSA-N 427.472 4.611 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591618 KSPRZVAJYFHYMO-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1F 1862639271 UVVAWKQVDMJYGM-IQMFZBJNSA-N 447.462 4.879 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cccc(F)c1 1864825019 DIPDYRQPYGFRQQ-OAQYLSRUSA-N 442.579 4.819 30 10 IJEE CCCC[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 1866699768 GDQQHOSUJCVGSO-RPBOFIJWSA-N 440.547 4.593 30 10 IJEE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867132385 RKHJSHLMNIQIOR-ZJSXRUAMSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(Cc2ccccc2)n1 1869072987 WVPGQQLBLLWRIG-UHFFFAOYSA-N 427.508 4.848 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCCCC1 1870764800 YDRZMZOOKRPOSQ-UHFFFAOYSA-N 434.621 4.917 30 10 IJEE O=C1/C(=C/c2ccccc2F)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 1871379054 IGRKASFHGUVLQY-UUYOSTAYSA-N 428.371 4.768 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871442057 XOBBAVUGNDXUTC-FMCGGJTJSA-N 445.446 4.970 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871758038 DAAHJRNMLQFNGC-JOCHJYFZSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871852325 IFTXGZZTWHIORW-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871912928 PKRGSWCMZRBWEO-JOCHJYFZSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H](C)CC)S(=O)(=O)C1CC1 1871959932 WBCVPTOCKWOHGY-ACJLOTCBSA-N 433.401 4.717 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872530384 XHXDLSYQSKCRDA-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2nc1C 1872763727 SNQCABWURMIONA-QGZVFWFLSA-N 429.461 4.768 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873239198 DYBXUWSMBURBIQ-UHFFFAOYSA-N 430.426 4.517 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873320375 VYHWUGWIPFUZFZ-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE Cc1ccc(CCN=c2nc3c(cnn3-c3ccccc3)c(Nc3ccccc3C#N)[nH]2)cc1 1873478848 ZBAIPXLJTFUMBQ-UHFFFAOYSA-N 445.530 4.816 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N(CCO)CCCC)ncnc2n1CCCC 1873580975 QXYZNSUQTRYAGN-UHFFFAOYSA-N 445.652 4.921 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641087 AUHCUTJBBMMNEO-UHFFFAOYSA-N 427.508 4.804 30 10 IJEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc2c(c1)OCCO2 1874270785 OPKUVBOBJFRADH-PCLIKHOPSA-N 430.533 4.788 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc2ccccc12 1874332994 DIDGFTVHLOIBFS-ORBAKXMTSA-N 433.581 4.706 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccn2)cc1 1874348906 JRCVKCDPGWTWDT-WGOQTCKBSA-N 429.549 4.755 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(F)cc1 1874364901 AIUPBWSZQRKTOK-ZMOGYAJESA-N 445.951 4.580 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2cccnc2)cc1 1874388156 YEBUWDVYXAGKIV-MFKUBSTISA-N 444.520 4.655 30 10 IJEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874478165 RHCRXKFHNDJKGM-LPYMAVHISA-N 425.514 4.717 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)(C)C)cc1 1874481970 SEQQPNICUWWWNE-YDZHTSKRSA-N 442.541 4.528 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 1874487201 FHXGKMHFOBUKBV-AFUMVMLFSA-N 439.560 4.791 30 10 IJEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 1874530149 UDGUKCUOKRXETG-BUVRLJJBSA-N 437.569 4.687 30 10 IJEE CCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 1874534518 MVVDUQKMMJAHQJ-AFUMVMLFSA-N 437.569 4.687 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)N(CC)CC 1874626786 WPSMOIUJKFYCFT-JLHYYAGUSA-N 439.552 4.854 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1Cl 1874630551 HUAPVMOPCDEDLY-JXMROGBWSA-N 445.943 4.939 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc2c(c1)OCO2 1874704346 JXYVDIQWYUFENR-VMPITWQZSA-N 446.455 4.856 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)c(OC)c1 1874715009 YNNHIBIODOFFLN-SDNWHVSQSA-N 432.472 4.722 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C1CC1 1875109824 GXVUOLVDBNOBSJ-XCVCLJGOSA-N 431.282 4.678 30 10 IJEE COc1ccc(-c2ccc(C(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)cc2)cc1 1891478420 PRUMYGFEVZYEMJ-FQEVSTJZSA-N 427.504 4.560 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(O)C[C@H]1CCCCN1C(=O)OC(C)(C)C 1922046210 GOPVLXYFHXAHKN-MVERNJQCSA-N 446.632 4.668 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)CC#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2032521182 WBUGYFVJKNMMPK-DEOSSOPVSA-N 440.628 4.881 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(Cc2ccccc2)CC1(C)C 2037425654 FURBALOJEZBDPG-XCZPVHLTSA-N 436.640 4.791 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(O)CCC(N(C)C(=O)OC(C)(C)C)CC1 2048952537 IYSLWOQKUPZDIS-SBRHDKPSSA-N 446.632 4.668 30 10 IJEE CCOc1ccc(C(F)(F)F)cc1-n1nc(C#N)c(Br)c1C(F)(F)F 2079176329 ITYJQGJBIUDTKC-UHFFFAOYSA-N 428.130 4.943 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(F)c2F)C2CCC2)c(I)c1C#N 2079855217 MTOLRTUJQPUDGG-QGZVFWFLSA-N 441.263 4.898 30 10 IJEE Cc1cc(CNc2ccc(I)cc2Br)ccc1C#N 2097187895 DNMQHMFHMHSQEB-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(Nc2ccc(C#N)c(Br)c2F)CC1 2106080612 PIHGNAXUDRSQRL-UHFFFAOYSA-N 426.330 4.955 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124536805 TYCMYDWSNYAZTL-SFHVURJKSA-N 444.381 4.756 30 10 IJEE Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(NC(=O)OC(C)(C)C)c1C 2124679300 RCRLLXAYGOPGDT-NRFANRHFSA-N 448.567 4.501 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(C#N)cc2Br)cs1 2124692048 GRTSGJKJHORQFF-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE N#Cc1cc(Br)ccc1N[C@@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2156352894 WBTJXYPDLBZEHI-FQEVSTJZSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(CNc2ccc(C#N)c(Br)c2F)CC12CCC2 2162323822 KGXNXIYRUDSZFF-FQEVSTJZSA-N 438.341 4.957 30 10 IJEE CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2cc(Br)ccc2C#N)CCC12CCC2 2205735451 IESQSODXLMIBRE-MRXNPFEDSA-N 434.334 4.581 30 10 IJEE CC[C@H](CCCC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 2223256886 OWANJRDHRISLLF-GOSISDBHSA-N 438.418 4.545 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1snc(C)c1NC(=O)OC(C)(C)C 2227492057 ZQGCRIYJTSEYMI-HNNXBMFYSA-N 436.375 4.873 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2ccccc2Br)cn1 2235731482 QQLVCJMRXKISTG-GOSISDBHSA-N 430.346 4.657 30 10 IJEE CCCN[C@H](C#Cc1ccccc1F)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255266773 BKKVDYWKADIBEG-DNQXCXABSA-N 440.559 4.656 30 10 IJEE CCN[C@@H](C#Cc1ccccc1F)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255274508 ZKBMWAHEPCHUOE-XZOQPEGZSA-N 440.559 4.656 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(F)c(F)c(Br)c(F)c1F 2256019822 GHLRKCOZBTUVQN-JKYUHCHBSA-N 428.220 4.508 30 10 IJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2256738322 DRUPABOVMUCKFM-RPWUZVMVSA-N 441.660 4.986 30 10 IJEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C(C)(C)C 2258093148 XHPRBNSIKWHVBX-UHFFFAOYSA-N 425.353 4.874 30 10 IJEE CC1(C)OB(c2ccccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2267107414 NIYQMANMWWHRGQ-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE C=CCCC1([C@H](O)Cc2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2281055884 LRLXZKLJKHQQEH-GOSISDBHSA-N 440.378 4.564 30 10 IJEE Cc1cnc(C(=O)N(Cc2ccccc2)CC2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2281954308 ADHSBWYKQSJLEX-UHFFFAOYSA-N 448.416 4.912 30 10 IJEE C=CCC1(COc2nc(Br)ccc2OC)CCN(C(=O)OC(C)(C)C)CC1 2287844038 JDYYQZDJEBWZRC-UHFFFAOYSA-N 441.366 4.825 30 10 IJEE C=CCC1(COc2cc(Br)nc(CC)n2)CCN(C(=O)OC(C)(C)C)CC1 2287846379 KMWFLBZKRDGDAX-UHFFFAOYSA-N 440.382 4.774 30 10 IJEE COc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 2293983730 UEQDRVGMECNKHD-UHFFFAOYSA-N 448.504 4.903 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCN1C(=O)OC(C)(C)C 2296216737 NGIMEMNRBSFXMM-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@H](O)C#Cc2cccc(Br)c2)CC1 2296225187 RZSFJLMKUOLCPZ-BLIXFSHQSA-N 440.353 4.585 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2296230770 WUUAHKLMSUNPJG-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C1CCCN(C(=O)OC(C)(C)C)CCC1 2296231987 JMTPWQOIRBSHJD-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@H](N)C#Cc1cccc(Br)c1)C2 2296284405 QKTQHIXAJISEJW-IAPKMXHRSA-N 433.390 4.602 30 10 IJEE Cc1cccc(N=C2SC(=C3C(=O)Nc4ccc(F)cc43)C(=O)N2c2ccccc2)n1 2314540104 IXUXHDXAHDYSLH-UHFFFAOYSA-N 430.464 4.660 30 10 IJEE C[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2317347249 VCKSIVFILFPNSB-DCVVVBLRSA-N 432.370 4.654 30 10 IJEE COc1ccc2ccccc2c1C=Nn1cnnc1SCC(=O)Nc1cccc(C)c1C 2321230199 MVDSHPUJDBCBFE-UHFFFAOYSA-N 445.548 4.670 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccccc2OC)cc(Cl)cc1OC 2322481584 NWEDCLUKXXHJIC-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCOc1cc(C=NNc2nnc(C(C)(C)C)c(O)n2)ccc1OCc1cc(C)ccc1C 2323280228 LRBIXMWKUSUHQH-UHFFFAOYSA-N 449.555 4.915 30 10 IJEE COc1ccc(Br)cc1C=Nn1cnnc1SCc1ccccc1Cl 2326532687 AAXZRRZEYLAHBE-UHFFFAOYSA-N 437.750 4.877 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326688880 HCDLFXCVPHGQSH-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cc(Cl)ccc1O 2328576976 MHRARIIJTOBICS-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE Cn1cccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccc(F)cc1 2329636470 OPVLAQRFCSFFLD-UHFFFAOYSA-N 425.558 4.777 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(O)cc1O 2330461854 XXODYZZCDSZUNJ-UHFFFAOYSA-N 430.533 4.763 30 10 IJEE CCCNC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(Cl)cc1Cl 2330827035 CHGFGLRBZFVAFP-UHFFFAOYSA-N 442.416 4.674 30 10 IJEE Oc1nc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)nc2ccccc12 2331224279 DKWVOVFSKIPNRU-UHFFFAOYSA-N 446.467 4.501 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1c(Cl)cccc1Cl 2331358962 KCDWRTHFVCKTCG-UHFFFAOYSA-N 442.416 4.725 30 10 IJEE Cn1cc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CC2)c2ccccc21 2331734366 VBVJUAZBHAZYML-UHFFFAOYSA-N 432.509 4.730 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](CCc1ccc(OC)cc1Br)NC 2364849155 OIEMWULAHIOCOK-OALUTQOASA-N 441.410 4.838 30 10 IJEE C=C1CCC(C[C@H](NC)[C@H](O)c2sc(Cl)cc2I)CC1 2366654265 LQOCGNDEJMVAGP-JSGCOSHPSA-N 425.763 4.764 30 10 IJEE N#Cc1cccc2c1ccn2Cc1ccc(I)c(Br)c1 2377322203 TVBAAELLJHWXNS-UHFFFAOYSA-N 437.078 4.928 30 10 IJEE CCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3)nn21 13363339 DWSCVRMYPJXKMP-QFIPXVFZSA-N 432.549 4.991 30 10 IJEE CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C#N)cc2)cc1Br 14041336 YMTKOVCCILIWRW-UHFFFAOYSA-N 432.343 4.626 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1OC 21246119 DLFTUKBCEVQQDB-GJZGRUSLSA-N 443.902 4.891 30 10 IJEE C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 23967263 CUFWPFQOXPTIFO-SNVBAGLBSA-N 429.958 4.666 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2OC)cc1OC 28052637 ZUMQRARXBVIOAJ-VOIUYBSRSA-N 446.503 4.967 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2cc(OC)cc(OC)c2)C1=O 36258084 NRRKLXUTAHJAJD-XDHOZWIPSA-N 425.506 4.556 30 10 IJEE COc1cc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)ccc1O 102569489 MTZCFYLGVZCCCQ-AGGMBTAESA-N 435.863 4.681 30 10 IJEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCCc2ccccc2)C(=O)N1c1ccc(F)cc1 105676212 FEJAFWGJYZPMQM-JOCHJYFZSA-N 447.535 4.711 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2O)cc1 169923855 PEPDRKFIKVUMHX-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCCOc1ccc([C@H]2NC(=S)N(CCC)C(C)=C2C(C)=O)cc1Br 169930033 LIFRBVQMAHGONT-GOSISDBHSA-N 425.392 4.742 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169960184 BSSBEKOAMUNVAV-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(O)cc2)cc1 169962585 DLOOUSRQFHSYDX-HSZRJFAPSA-N 445.471 4.588 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(O)cc2)c(C)c1 169962970 BYMARNAREMXBJK-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)s1 170019162 OAMYDQWUMVDETQ-GOSISDBHSA-N 439.924 4.900 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)c1 170066664 KENGCEXPRRCIJT-GMAHTHKFSA-N 435.520 4.576 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170100140 RYLAIKDEXWTRSW-IBGZPJMESA-N 437.521 4.510 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@H]1CCCO1 170123119 FQPISECMCJCRJG-HYBUGGRVSA-N 443.499 4.606 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1 170234457 VTLLMZPTJHALLY-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 170242854 BMORPUNHMOMKTD-HSZRJFAPSA-N 432.495 4.509 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccccc3F)ccc2O1 170249224 RKEIOEYULSDBNI-IQMFZBJNSA-N 429.447 4.932 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(O)c1 170257578 AJTJIMXXFQPWIB-HSZRJFAPSA-N 431.488 4.549 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccccc2)cc1 170265352 SKYHOQONZUNBAP-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccco1)c1cc2ccccc2o1 170297384 IYUGIWKQPIFRIL-HXUWFJFHSA-N 425.400 4.685 30 10 IJEE Brc1ccc(N=C2NC3(CCCC3)CS2)cc1I 385311407 CACCLXMSWIRKCV-UHFFFAOYSA-N 437.144 4.690 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)CC1 443336498 QUIKVVUCMKWVSX-UHFFFAOYSA-N 427.957 4.876 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 524679472 JAWRYUACOLSODH-UHFFFAOYSA-N 434.565 4.858 30 10 IJEE CC(=O)N(Cc1ccc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1)C1CC1 543888535 QZIMNEQOTFNYGI-UHFFFAOYSA-N 448.914 4.552 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(OCC(C)C)CC1 558995205 RQLTZAMAHVIXEV-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CC=C 583534132 ZOZGUVYHXTZONC-GOTSBHOMSA-N 445.523 4.810 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@H](c3nnc(-c4ccc(C(F)(F)F)cc4)o3)C2)c1 585191812 UJZDJHLMUHZPBY-KRWDZBQOSA-N 426.398 4.647 30 10 IJEE Cc1nc(C2(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCCCCC2)no1 610697489 QVYQBRVPPVODCV-UHFFFAOYSA-N 432.484 4.808 30 10 IJEE Brc1cc(N=C2N[C@H](C3CCC3)CS2)ccc1I 717649536 NSYUEYSQGPRUJY-LBPRGKRZSA-N 437.144 4.546 30 10 IJEE COc1ccc(CNC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1C#N 775994474 ISPOYXNTKCXRTM-INIZCTEOSA-N 431.336 4.688 30 10 IJEE C=CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 783233982 XOCRUPBRFGJBSG-TUNNFDKTSA-N 444.938 4.541 30 10 IJEE C#CCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 787307588 MUNNDKKFWWVTFM-HOCLYGCPSA-N 433.268 4.504 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1)c1ccccc1 816986421 FMDNNKAIENUOQK-ZODMCCGTSA-N 432.564 4.900 30 10 IJEE C[C@H](OC(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 912870175 HJSSRCDSYOWKPW-NSHDSACASA-N 437.348 4.918 30 10 IJEE Cc1nn(Cc2ccccc2)c(C)c1C=NNc1ccc(I)cc1 1084413615 KRIBYISYQWBXJM-UHFFFAOYSA-N 430.293 4.599 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc(O)c3)n2)cc1 1084624683 BQBJPZKEKIMJOG-HNNXBMFYSA-N 438.557 4.591 30 10 IJEE CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1125536007 HEBXXNKWCWJZLE-HSZRJFAPSA-N 429.476 4.646 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(C(F)(F)F)cc1 1127328306 IXTLVXLGVJKCSH-HXUWFJFHSA-N 441.453 4.748 30 10 IJEE N#Cc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1Br 1128904057 HFQAFYDYSGQLEL-UHFFFAOYSA-N 428.311 4.537 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H]2CCCc3c(F)cc(F)cc32)nnc1-c1ccco1 1129298814 VBKWJFURSQCTHS-SFHVURJKSA-N 444.507 4.678 30 10 IJEE C=CCN(CC=C)C(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1135408660 CUBKRSIEUURITR-RUZDIDTESA-N 430.548 4.991 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1138160160 NAKDCIDFLTWZAU-LJQANCHMSA-N 442.540 4.513 30 10 IJEE C#C[C@H](C)N(C)C(=O)CN(CCCCC)C(=O)OCC1c2ccccc2-c2ccccc21 1139511009 KPLOFDPAOGPUJW-FQEVSTJZSA-N 432.564 4.908 30 10 IJEE C=CCOc1ccc(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)cc1OC 1162738967 OQJXQOQHCJHVFC-UHFFFAOYSA-N 448.210 4.509 30 10 IJEE Cc1nc(NC(=O)NCc2ccc(OCC#N)cc2)sc1Cc1ccccc1Cl 1205207563 GGOXIWYCYJLIFZ-UHFFFAOYSA-N 426.929 4.920 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl 1214805414 LKSFCUVFZSBNEN-CQSZACIVSA-N 443.396 4.781 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](OCC)C23CCCCC3)cc1 1214912342 RSGUKDBEIHRHLB-FCHUYYIVSA-N 425.573 4.750 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC)cc1C(F)(F)F)c1ccc(Br)cc1 1218792978 YIZLVZSQPAJSRB-OAHLLOKOSA-N 427.220 4.973 30 10 IJEE N#CCOc1cccc(CNC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)c1 1221919679 BAPNUVIVHWLUTQ-HXUWFJFHSA-N 442.357 4.658 30 10 IJEE C=CCC1(CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CCCC1 1223877461 IMNWISLDHUYJCM-IBGZPJMESA-N 431.577 4.697 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCCC1(C)C 1225867513 HNJQZMCUSXGKPL-RTBURBONSA-N 448.405 4.639 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2ccccc2)(N2CCCC2)CC1)c1ccc(Cl)cc1F 1252480621 ZOVQSMQVXYLZPA-QHCPKHFHSA-N 439.962 4.950 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCn2ccc3cc(Cl)ccc32)cc1 1264608767 BFABQSOXPYMPRS-UHFFFAOYSA-N 445.972 4.520 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c(OC)c1 1269078203 SGBBTGHZVGKTFY-LJQANCHMSA-N 435.549 4.761 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@](C)(OC)CC1 1286342681 RNEYSNUNQGUDOZ-NLFFAJNJSA-N 440.588 4.626 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccsc1 1286356349 GUHWVSIFNHLWFF-UHFFFAOYSA-N 445.386 4.731 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1286436449 IWDFSIBQWGBRSS-FXAWDEMLSA-N 445.405 4.762 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@H](CC)C1 1286602927 FQYSLFMCFOMYEZ-CMKODMSKSA-N 444.645 4.728 30 10 IJEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC=C(Br)C1 1286625226 BUUXSXOTYSAWLZ-UHFFFAOYSA-N 430.737 4.735 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2ccoc2)CC1 1286656068 PQMIYYICPSNQFZ-UHFFFAOYSA-N 443.345 4.760 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1286670106 AQEJNSQPVSOFAP-NJYVYQBISA-N 445.652 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1286671930 CBFRKSNCJGAHAK-OAQYLSRUSA-N 437.632 4.725 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286686437 HNGMWYAUYBCXPF-NHCUHLMSSA-N 432.515 4.732 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccccc1)C1CC1 1286717769 JWAQRSCNSJJEMJ-GOSISDBHSA-N 426.362 4.852 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@H]1CC(F)(F)CO1 1286744127 AYMLEYGNZLJNKU-LJQANCHMSA-N 434.506 4.767 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286770204 ANXUHUWWPHLSIB-MSOLQXFVSA-N 449.393 4.542 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1286826120 XCNSYPLEBTYKRX-GOEBONIOSA-N 438.439 4.970 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1286833521 GLBNFBOLOIFUMA-MRXNPFEDSA-N 429.540 4.659 30 10 IJEE CC(C)NC(=O)Nc1ccc(Cn2c(C3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1288255223 FKZMLFLENJKLAL-VWLOTQADSA-N 449.603 4.644 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(Cc2c(C)nc3cc(C)ccn23)CC1)c1ccccc1 1290232616 MIJRHFNYIHROLY-DEOSSOPVSA-N 430.596 4.735 30 10 IJEE N#Cc1ccc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)[nH]1 1292771294 COCCJPZWWNROHV-UHFFFAOYSA-N 439.346 4.741 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 1293142789 HICJPXHNEXXIHD-UHFFFAOYSA-N 435.524 4.613 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CCCC1 1297804072 NQTHZRCOYGREAY-UHFFFAOYSA-N 434.508 4.632 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1300356685 DSIGUAOTVVUPCC-WOJBJXKFSA-N 446.599 4.522 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H]1CC 1300362551 QXPDXGRMCMRHPJ-PZJWPPBQSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC1(c2ccccn2)CCC1 1300557253 RKHSLYLCCYCJQB-XMMPIXPASA-N 437.591 4.800 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1300843144 CGWMNKFJBSZSPI-RDJZCZTQSA-N 435.366 4.578 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)CCCOc1ccc(F)cc1 1300843961 LTIGVJYGYOHPQP-UHFFFAOYSA-N 437.357 4.889 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC1CC(F)C1 1300861221 CJAJFFOBKUWINH-UHFFFAOYSA-N 439.398 4.972 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1300874469 MRTRNKAHFQSEGV-AQNXPRMDSA-N 429.634 4.840 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](CC(C)C)N(C)C)CC1 1301130191 RHAHAQUIBKOONP-QHCPKHFHSA-N 434.632 4.660 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1301136023 XLXGRUFPTKMZAB-OAQYLSRUSA-N 446.064 4.966 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H](C)c1c(C)noc1C 1301339739 RPZGCJDDUPWXMD-SFHVURJKSA-N 432.572 4.949 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)s2)cc1 1301527104 UKDWYDPGSQDPLF-KRWDZBQOSA-N 444.988 4.746 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(C)ccc2OC(F)F)C1 1301541900 GDMVFCTWXCIVME-SFHVURJKSA-N 444.482 4.586 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1302189541 LXQMOECDLRIQGD-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE CC1(C)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[S@@]1=O 1310171402 GRKPIIMKTRHNMS-LJAQVGFWSA-N 431.945 4.769 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br)[C@@H]1CCCO1 1312541630 LAGZUXJROAOPBZ-PMACEKPBSA-N 447.398 4.712 30 10 IJEE C=CCCSCCNC(=O)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21 1312974369 PPFXIEMRSHGSGU-MRXNPFEDSA-N 425.392 4.804 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 1313219199 LRVOTIWWOKVQMA-XMMPIXPASA-N 434.584 4.663 30 10 IJEE C[C@H](NC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1cccc(C#N)c1 1313290582 DCZLOHBWIBZBDX-NRFANRHFSA-N 440.547 4.730 30 10 IJEE CCN1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1 1313903412 BUCULKPJJVFDGT-NRFANRHFSA-N 426.996 4.603 30 10 IJEE CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)c(C#N)c1C 1348443620 HWNDLJVXSMZLFS-UONOGXRCSA-N 438.427 4.746 30 10 IJEE C=CCC1(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)CCCCC1 1353014267 RJHJSLPPRMAIQB-UHFFFAOYSA-N 433.599 4.546 30 10 IJEE CO[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(Cl)cc1 1354414718 FKZZPQGPIKQZAL-OAQYLSRUSA-N 446.378 4.975 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)cc(OC)c1OC 1358048573 BNZBVZWCZRXBPB-UHFFFAOYSA-N 433.552 4.980 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cc(C(C)(C)C)no1 1359001593 YBWXQQWQIRIOIZ-LJQANCHMSA-N 435.572 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)N1CCCCC1 1359074172 UEQNLLQCDRFSOY-HHHXNRCGSA-N 449.643 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(Cl)c1C 1359107400 LNIVHVYVHBCESF-QHCPKHFHSA-N 432.996 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1-n1cccn1 1359108280 HYDYTOMMXVIXRP-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](COCC)C1 1359127888 DAVQCZACWPHNBP-MOPGFXCFSA-N 444.645 4.587 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)C2CCCCC2)CC1 1359179961 MMKCQFMUFKHMPK-RUZDIDTESA-N 426.580 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2nccs2)C1 1359185776 IOJQGZPRPRTSQN-LJQANCHMSA-N 439.585 4.590 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OC)C1 1359186110 VGHAUVZUCQCGPP-MRXNPFEDSA-N 433.394 4.925 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCC1 1359275156 LYBTVFZGKLEJGI-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCS1 1359278262 OJEOJVJLLLNDTM-HXUWFJFHSA-N 443.642 4.748 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC2(F)CCC2)C1 1359317496 JXGLWCZNSBSLEJ-INIZCTEOSA-N 449.368 4.771 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Br)o1 1359341224 PMOHESHHFCFHPM-UHFFFAOYSA-N 448.390 4.560 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@@H]2CCCC[C@@H]2C)c1 1361017786 CMAGPHKCEZMBHB-FUPPJEDESA-N 439.604 4.665 30 10 IJEE C=CCC(CC=C)C(=O)N1CCOC[C@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1439591556 MPPXUVGOBFLUNL-LEWJYISDSA-N 440.584 4.911 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(C)(C)C 1460799151 BUMDCDLZJIBIMR-LJQANCHMSA-N 438.984 4.844 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)cc21 1463118485 BNHRGCZPLSXMHF-MKGTUJQCSA-N 448.954 4.909 30 10 IJEE C=CCn1c(SC/C(C)=C\C(=O)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1472922590 SHTBLJFITGSMMV-QBFSEMIESA-N 444.553 4.970 30 10 IJEE CCn1c2ccccc2c2cc(NC(=O)Cn3c(C(F)(F)F)ccc(C#N)c3=O)ccc21 1473077700 FWOSCKRNFGAXOJ-UHFFFAOYSA-N 438.409 4.505 30 10 IJEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)c1 1473162863 IFJYUXOGGFLJIG-QFIPXVFZSA-N 439.559 4.645 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)c(Cl)c1 1477147483 UBEAHHMOGVOIMX-KRWDZBQOSA-N 425.916 4.809 30 10 IJEE CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1477861538 GNNAEOMXBLEREZ-DQEYMECFSA-N 449.551 4.510 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)C1 1479314778 WUJPNQPOAASAPD-GOSISDBHSA-N 447.913 4.650 30 10 IJEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCC1CC(OC(C)(C)C)C1 1494611187 IBCZKNXGBDRMAJ-MPQSDHOMSA-N 439.629 4.742 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1503969539 DVNOUSJCFULKQW-LERMDLETSA-N 443.979 4.627 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507558434 XAJQLHUHYYBQOB-XPNTWCBSSA-N 437.632 4.757 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1507575661 HHXTWMHCJFLOQB-LJQANCHMSA-N 445.405 4.681 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC2(CCCC2)C1 1507745465 ZANJLKHMHGOWGL-UHFFFAOYSA-N 448.434 4.563 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(CC)[C@@H](C)C1CCC1 1507790409 IVIKJCYUCYDUDL-INIZCTEOSA-N 449.393 4.789 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(Cc2ccccc2)C[C@H]2CCCO2)nnc1C(C)(C)C 1507811914 UXAVKGJEZPHJMZ-ZRBLBEILSA-N 438.616 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[C@H](O)C1 1507818788 XFQUNKAGEZIENR-FPOVZHCZSA-N 442.604 4.694 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1507884859 YZPFBIHDWKIADD-GOSISDBHSA-N 438.906 4.979 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1508002935 PVYOLKRXHJSQKR-JTHBVZDNSA-N 437.632 4.833 30 10 IJEE CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC(F)(F)F 1513983936 AWIOWWVMINZWLC-XLIONFOSSA-N 448.537 4.716 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1 1515218899 DKKVHAJKAQNDFH-QHCPKHFHSA-N 448.404 4.920 30 10 IJEE COCC(C)(C)CCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1518673386 BHMNMOFTZNLRSQ-UHFFFAOYSA-N 427.568 4.591 30 10 IJEE C#CCN(C(=O)[C@@H](C)Cc1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1521820195 YMMNJQANSFGUNN-UWJYYQICSA-N 426.354 4.922 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C3CN(C(=O)C4CCCCC4)C3)cc2Cl)cc1 1526306525 BOQJKDMELLKCDA-UHFFFAOYSA-N 437.927 4.981 30 10 IJEE N#Cc1ccc(CCNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1 1528526784 DAWYUSDEWZAJOP-UHFFFAOYSA-N 449.620 4.852 30 10 IJEE Cc1sc2nc(CS[C@@H](C)C(=O)N(CC#N)c3ccc(Cl)cc3)nc(O)c2c1C 1529939573 ZTPLQPRXSABHKX-ZDUSSCGKSA-N 446.985 4.846 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(F)ccc2I)C(F)(F)F)cc1 1532569910 FZBAAFZRVFXXNR-HNNXBMFYSA-N 448.153 4.872 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1ccccc1 1536595123 VMQVMYHGGROYIO-FBLLAGFSSA-N 438.568 4.930 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 1537448738 YSBYPRXPUQAODQ-GDLZYMKVSA-N 444.456 4.945 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)SC 1538976143 JFPIJTBZYHNVLN-OAHLLOKOSA-N 425.627 4.977 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCc1nc(C)c(C)s1 1539547398 XXVGOISKWCZDHL-JOCHJYFZSA-N 425.989 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(C)C)CC1 1539619732 HIRGKGVIQYPVOL-UNMCSNQZSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H](C)CCSC 1539621375 RDDQTVQIJWIRMJ-QFUCXCTJSA-N 430.618 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCCO1 1539622032 VAYYCHMGEZDQDL-NRSPTQNISA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccnc1OCCC 1539677790 IGTKKNNSQQXDGF-NHCUHLMSSA-N 441.620 4.831 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1539888057 KIVKKJDTRUADBH-LJQANCHMSA-N 429.609 4.595 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(C(=O)N3CCC(C)CC3)CC2)nnc1C(C)(C)C 1539928743 GYVAPMDHLPJCHF-UHFFFAOYSA-N 429.653 4.653 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN2CCCCC2)C1 1540027514 ZHSILKYOVXJJKP-FQEVSTJZSA-N 444.023 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2F)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1540062731 WCLXWJBPHNNABW-UHFFFAOYSA-N 431.302 4.709 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(F)(F)Br 1540154815 DGNZIPUOWUDSJF-ZDUSSCGKSA-N 445.283 4.723 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1540854589 RKGUMWMMMDOHQJ-QFBILLFUSA-N 445.995 4.914 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@H]1C 1540909979 TXYZRQKHRDUJHW-VQTJNVASSA-N 444.645 4.958 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1ccsc1)N(C)C 1541106885 CBULCLFJFAAFFG-APWZRJJASA-N 434.569 4.652 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)C1 1543898735 BGGCBFXXHMYZLQ-XLIONFOSSA-N 448.537 4.716 30 10 IJEE CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1544302093 DSGSLQXXQIAQCX-CLOONOSVSA-N 445.563 4.798 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCc1c[nH]nc1C 1547565385 GHSXPTYJNLGEKY-UHFFFAOYSA-N 445.596 4.612 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@H]1CCCCC1(F)F 1561208245 DURVDWKWIDNIBG-CQSZACIVSA-N 440.325 4.732 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(NC(=O)C2CCC(CCCC)CC2)cc1)[C@H]1CCCO1 1563927232 KJNVWIBBJSLETI-QECZMNFNSA-N 439.600 4.602 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)C(=O)OC(C)(C)C 1565643495 MXBNMJWCEBFKAV-UHFFFAOYSA-N 449.429 4.702 30 10 IJEE C=C[C@H](CC(=O)N[C@H](CC(=O)OCC)c1cccc(Br)c1)c1ccccc1 1583273069 QBVHXKDQGUWDFD-OXQOHEQNSA-N 430.342 4.920 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 1586269134 AEFXMZXEEDVKOR-WIYYLYMNSA-N 435.524 4.523 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C/C=C/c1ccccc1 1587632388 LJIDWMRLYASWBY-IXDOJHRFSA-N 449.599 4.564 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1587746032 HIWONYWXYDFXKD-DHIUTWEWSA-N 449.643 4.848 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC[C@H](C)C1 1588314525 HVZIDVZAWOVVCI-NRFANRHFSA-N 446.599 4.572 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](CC)C1 1589347169 HUVXTEWNWKDFPW-MRXNPFEDSA-N 449.393 4.887 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)C1CCCC1 1589570071 SSCAZPTZTYWZIT-FDDCHVKYSA-N 428.552 4.746 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1593671837 SRVHIHZZZFYKMD-NRFANRHFSA-N 442.947 4.865 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)F)c2)CC1 1594192507 KAKPKCSDDBAXHC-DEOSSOPVSA-N 446.542 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC)C1 1594492268 XDJWSOJAHPIDBR-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(N(C)C)CCSC1 1594866814 GJTGYUJBGPVCIZ-NRFANRHFSA-N 448.061 4.873 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cccc(Br)n1 1594868288 WZCXMGVBPTZTIE-GOSISDBHSA-N 426.362 4.648 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@H]1C[C@H]1C 1595166597 VVBXGOKZDIXVEL-VXNCWWDNSA-N 443.617 4.884 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](N2CCCC2)C1 1595844390 ASQFROSIJCKBJR-XZOQPEGZSA-N 439.673 4.804 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(OC2CCCC2)CC1 1595851143 YDQKRGFAZQUXDR-UHFFFAOYSA-N 442.629 4.801 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(-c2ccccc2Cl)nn1 1596874178 BMDUXEOPDIDWDF-UHFFFAOYSA-N 433.693 4.500 30 10 IJEE C#CCN(C(=O)COCCc1ccc(Br)cc1)[C@@H]1CCCc2ccccc21 1611224228 YKEZGDCPJPEVIT-JOCHJYFZSA-N 426.354 4.548 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccc(C)cc1 1613655432 XDOAPYXZRUCEAZ-UHFFFAOYSA-N 439.541 4.919 30 10 IJEE N#Cc1ccc(-c2cc(N3CCN(CCc4cccc(Cl)c4Cl)CC3)n[nH]2)cc1 1620056275 AQFWEXDFSPBBFM-UHFFFAOYSA-N 426.351 4.620 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)c1 1623033898 RHZXRUQPPDQYEB-UHFFFAOYSA-N 436.600 4.674 30 10 IJEE C#CCOc1ccc(CNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)cc1 1627847938 CECGJHJZWXTAFZ-AREMUKBSSA-N 443.543 4.654 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc(Cl)cc1F 1630028914 UZCDZYOKQKJFDV-FQEVSTJZSA-N 427.838 4.979 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1)c1ccccc1 1631035610 MLRYNFDRZGQXQT-NHCUHLMSSA-N 425.598 4.808 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 1634163844 QMSWOWRURSRERD-UHFFFAOYSA-N 441.593 4.926 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CCCC1(F)F)[C@@H]1CCOc2ccc(Br)cc21 1637981996 TVNCRNUYINHKPM-WMLDXEAASA-N 441.316 4.743 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cccc(Cl)c2)[nH]n1 1638245836 WWRIQOCCEKMKQU-HNNXBMFYSA-N 425.316 4.705 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OCC)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640560899 TYMKCAKLTYEHRO-DYVFJYSZSA-N 434.627 4.839 30 10 IJEE C=CCn1c(SCC(=O)c2cccnc2OC)nc2cc(-c3ccccc3)sc2c1=O 1643557783 OZXCNFGMMIFONM-UHFFFAOYSA-N 449.557 4.690 30 10 IJEE C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(N(CC)CC)cc3)n2C)c1C 1643563885 CSGLKFSUMLUDFZ-UHFFFAOYSA-N 437.613 4.908 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 1651075519 VYUVVRLILSAAJZ-DEOSSOPVSA-N 437.543 4.939 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)C1 1651805187 COXOIQUWQDKGQS-QGZVFWFLSA-N 436.474 4.823 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)cc1 1653440259 UWXHLRLNRZPTQA-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)C3(C(=O)OC)CCCC3)c2C#N)C1 1653632428 GGMUDLHIFKHRDF-INIZCTEOSA-N 445.629 4.517 30 10 IJEE C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1cccc(Cl)c1C#N 1654673353 DNSDPHSJSNNXCX-OSPHWJPCSA-N 436.964 4.979 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 1657854146 FMUZIKAUWHVVEJ-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)c1 1659225667 DAAWDOQQSQRRCK-UHFFFAOYSA-N 432.476 4.830 30 10 IJEE N#Cc1cc(NC(=O)NCc2cccc(CN3CCOCC3)c2)ccc1Oc1ccccc1 1661010515 GQVRXYASOKKVLP-UHFFFAOYSA-N 442.519 4.504 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 1661527128 YRMQJMZFVSDZBC-QHCPKHFHSA-N 448.629 4.576 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCc2cc(C)c(Br)cc2C1)C(C)C 1665701081 JEAKFWGLMHUTPA-OAQYLSRUSA-N 434.422 4.524 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1cnc2ccccc2c1 1670845156 JQYXNHODUBEJCY-UHFFFAOYSA-N 426.314 4.926 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 1670845985 WAVBJUCPHCCYHG-CVEARBPZSA-N 436.394 4.788 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F)c1ccc(Br)cc1 1670941403 UHGFVPQFCUVFBX-SJORKVTESA-N 441.247 4.735 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)c1 1679281545 HZJYTDWNLWCFQA-YLJYHZDGSA-N 443.345 4.572 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@]1(O)C[C@H](OCC)C1(C)C)c1ccc(C(F)(F)F)cc1 1679304293 GYESQRKQKLSVBC-WFXMLNOXSA-N 428.495 4.578 30 10 IJEE C#C[C@@H]1CCCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)C1 1680377225 NNJWWYSJWPOBSC-LSDHHAIUSA-N 432.387 4.997 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2ccc(I)c(C)c2)CCCC1(C)C 1680711486 SINDHDGFBPAMGD-KRWDZBQOSA-N 426.342 4.876 30 10 IJEE C#CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CCCCC1 1683223117 DQBYFUNZZQWEET-IZZNHLLZSA-N 433.571 4.771 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 1683814074 KMKKKJBNBWPPNI-PGRDOPGGSA-N 442.604 4.911 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](OCC)C1CCCC1 1689867174 POMSOKILHTTYOZ-BDKRGJGYSA-N 430.637 4.640 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1689900493 GNTFHMUKYMGDDS-QFIPXVFZSA-N 442.554 4.747 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cnc(C)s1 1689920907 NSBZVAZADMECQL-UHFFFAOYSA-N 448.365 4.661 30 10 IJEE C#CCN(C)c1nnc(CCCc2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 1689972711 YQLPQXGNVHSJJT-UHFFFAOYSA-N 443.595 4.678 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1690058900 DMEYCVQYICCTMO-DENIHFKCSA-N 440.563 4.899 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CCOCC)CCC2)CC1 1690377701 MZQYCKSVZYNEFR-UHFFFAOYSA-N 430.543 4.900 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccc(OC)nc2OC)CC1 1690399512 ZFKRWJDJUZSCPH-JOCHJYFZSA-N 447.583 4.683 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCc2ccccc2)CC1 1690422284 JYUJGYJGEFQGMG-UHFFFAOYSA-N 433.600 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@@]1(OC(C)C)CCOC1 1690440098 XTCSXOYINMUOSV-RUZDIDTESA-N 426.605 4.866 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](COC)C1 1690451472 HOEZZAKMCBXLNN-OAQYLSRUSA-N 439.604 4.756 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CC1 1690462484 HSMRQQRFLSGXSJ-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCSC1)C1CC1 1690539199 XZWOJWCYQVNZES-CQSZACIVSA-N 449.418 4.624 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@H]1C(=C)C 1690556181 OTWUYXAOZDYIER-QPPBQGQZSA-N 445.567 4.523 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H](C)C1 1690559360 DBVCGVHNSDSLCA-NZQKXSOJSA-N 442.567 4.528 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cnc(C)s1 1690682028 BBRIMKCMJCVLLJ-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(CCOC)CCC2)C1 1690688062 NJLJPNITXQRDNE-HXUWFJFHSA-N 430.980 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC2(C)CC2)C1 1690692354 WUCGLPAXCSNUKQ-MRXNPFEDSA-N 431.378 4.679 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccsc2)CC1 1690749204 VJJXYTDKZCHYGH-UHFFFAOYSA-N 445.683 4.999 30 10 IJEE Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)no1 1692994214 GGLJSOCKJRHHDS-INIZCTEOSA-N 440.935 4.546 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1csc(CC)n1 1705484419 OOSYYEDCDBXJPQ-CYBMUJFWSA-N 434.396 4.971 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCc1csc(C(C)(C)C)n1 1705616952 KGGPITRAEXUMOP-UHFFFAOYSA-N 446.624 4.737 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1705803503 SJEGYWKLKDFSED-QFIPXVFZSA-N 434.588 4.965 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1705839256 UCLAYPHKUCROKU-VGSWGCGISA-N 446.437 4.840 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1705888095 FFNMNZVTMINDLB-MSOLQXFVSA-N 431.378 4.678 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@@H]1CCOC1 1705942355 PLDZWXBXUXZLIF-GOSISDBHSA-N 444.601 4.957 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)CN1CCCC1 1708648959 HEAVEIMESXUEON-URXFXBBRSA-N 434.632 4.682 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)SC 1708672553 COCUHSJJXKZGAD-LEWJYISDSA-N 439.629 4.601 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](SC)C(C)(C)C 1722304321 YKKKKQNGXKTJNJ-APWZRJJASA-N 432.659 4.815 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722320791 KJXWHLMQZZLAPR-JOCHJYFZSA-N 429.524 4.775 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)C(F)(F)F 1722408910 XQHIKSZFZAKTPZ-UHFFFAOYSA-N 438.494 4.791 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(C(C)C)CC1 1722420286 FJVRAGGRZUOZQC-UHFFFAOYSA-N 449.624 4.899 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H]2CCCCCC[C@@H]21 1722465644 QNHNQYCHZFTFHX-YADHBBJMSA-N 438.641 4.945 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1722481816 BCEWNZGAJZFZGT-HNNXBMFYSA-N 445.352 4.834 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1CC 1722488234 CWKKSSJGFAVBEC-HNNXBMFYSA-N 437.407 4.866 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]1CSC 1722495936 IQRDBHBSBQGSRJ-HLIPFELVSA-N 433.021 4.912 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)C2CCCC2)CC1 1722569660 JDYNXWINAGQPAO-UHFFFAOYSA-N 429.996 4.541 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722593667 YFJCBEAXVOQEDV-ZVDOUQERSA-N 428.577 4.847 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1722621061 NAFNERVOAKELKC-IBGZPJMESA-N 430.980 4.730 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1722646237 KMQQIBUPDRLUIS-WMZOPIPTSA-N 445.405 4.843 30 10 IJEE C=CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](F)COC)C1CC1 1722647700 YHCSHECFGAGCCL-KRWDZBQOSA-N 427.549 4.516 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1722676186 VKBNSASXIMLCJO-ISKFKSNPSA-N 443.551 4.626 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722683794 VTNFLUIYDSMZFF-ABAIWWIYSA-N 448.217 4.975 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1740577649 KYZRPCOZZXKOJI-IRXDYDNUSA-N 431.378 4.658 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1740673248 MLUWZSAZMVUDSV-JTHBVZDNSA-N 447.652 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)Cc1cccs1 1740726975 VJKGFTGNEXPALV-GAJHUEQPSA-N 435.553 4.786 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1740827682 HBLUMLVJUIBLKP-WMZOPIPTSA-N 449.368 4.914 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)CN2CCCC2)CC1 1740833864 YKNXJDNBZWHUFT-WOJBJXKFSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OC(F)(F)F)CC1 1740837872 YIZQSZVIYIBDRG-UHFFFAOYSA-N 429.446 4.689 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1740848653 NVZFFFIPOWARHP-NSHGMRRFSA-N 430.618 4.802 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740850792 QSKUANIYOSMHJD-UHFFFAOYSA-N 429.653 4.696 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCOC1 1740856352 RZCSKGYDXNRUSD-RUZDIDTESA-N 426.605 4.577 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740859653 OZVLAZRJTRQDAN-OALUTQOASA-N 446.661 4.857 30 10 IJEE C=CCCCn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1740881225 BNQWMWDLZGILPL-QFIPXVFZSA-N 436.959 4.714 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1740913747 SJIVSXLNVSFNCS-QFIPXVFZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)s1 1740916310 JOBGEQIBWBPFGU-NRFANRHFSA-N 433.581 4.655 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1 1740923645 QZRFXCWEEXRACB-QGZVFWFLSA-N 441.601 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1c(C)noc1C 1740928914 ZPUWAADZAUVVMZ-UHFFFAOYSA-N 427.936 4.633 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC=C(Br)C2)cc1 1740967858 SJSWWGHEZKOUCW-UHFFFAOYSA-N 431.378 4.579 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2cccnc2)C(C)C)C1 1740974750 PFWZYUPWQTWSPI-DNQXCXABSA-N 447.583 4.570 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(OC)C1 1749024443 QMRWOJFQXVXBME-UZUQRXQVSA-N 444.670 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H](C)c1nccs1 1749123483 DWIYPJKYIORNGO-DYXWJJEUSA-N 437.613 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(C)C)CC1 1749376346 WUTNEIFIOXUZTB-UHFFFAOYSA-N 425.621 4.552 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1749402461 OIVXANJMXHROJP-BJKOFHAPSA-N 433.600 4.859 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1CC 1749499721 KWJWODOWRZPFTL-NRFANRHFSA-N 425.621 4.651 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1)C1CC1 1749514801 JASTUSCNSNOPKD-MRXNPFEDSA-N 432.515 4.943 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(C)(C)C)C1 1749749757 PLCGAKAHXPNDGQ-SFHVURJKSA-N 428.602 4.508 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)cn1 1751028306 AMXOHENICGOQIU-UHFFFAOYSA-N 430.556 4.818 30 10 IJEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2sccc2[C@H]1CC 1760129560 RHVVZGALHQXWNO-LJQANCHMSA-N 427.618 4.575 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN(C)CCC)C1 1760131814 AWWLXZDRWCAOAN-GOSISDBHSA-N 431.987 4.709 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC(OC(C)C)CC1 1760151158 SVHAHRKYWCCDQG-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C(C)C)C1 1760368877 PKCCFWBSORDPOX-AWEZNQCLSA-N 439.785 4.951 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2scnc2C)CC1 1760402913 YKSFBLIQEHZLGZ-UHFFFAOYSA-N 429.540 4.557 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1760413563 MBWKKVCDFYKVAB-UHFFFAOYSA-N 425.621 4.804 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1760419867 DNNJHKKHXHLRMC-MPCCHNLFSA-N 438.616 4.913 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1nc2ccccc2s1 1760421441 OVZYXVYXOIVLQZ-SFHVURJKSA-N 438.601 4.724 30 10 IJEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1760453187 XPKZVJFOBGHOTP-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCc1ccccc1F)C1CC1 1760471371 UDCDKIPLUVYLSN-UHFFFAOYSA-N 444.352 4.962 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC1CCC(F)(F)CC1 1760486477 PLSJTGVJYMZKHJ-UHFFFAOYSA-N 432.544 4.758 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)OC 1763436565 GFKCFLXACDSPEU-FVJLSDCUSA-N 445.995 4.873 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)c(C)n1 1764136224 AVLCJZHAHHCPPX-RTBURBONSA-N 431.588 4.652 30 10 IJEE COc1cc(C=NNc2nnc3c(n2)[nH]c2ccc(C)cc23)ccc1OCc1ccccc1 1772764673 AGUWRVVJFJXMRY-UHFFFAOYSA-N 438.491 4.848 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2nc[nH]c2c1 1861751490 RTYHSUZSQHLABE-QHCPKHFHSA-N 438.547 4.520 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OC)c(OC)c1 1862386169 HEJQHNSAXNFURR-LJQANCHMSA-N 448.302 4.775 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)cc1O 1862492340 PBHXZHWKGYSNHY-JOCHJYFZSA-N 449.528 4.858 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862494613 CYSZPWXAFPDQLX-ZJSXRUAMSA-N 449.547 4.850 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2c(Cl)cccc2Cl)c1 1862498793 QWDIZYOGZINSIF-HXUWFJFHSA-N 447.362 4.750 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862597064 LMEPCRPFXCPZNC-JOCHJYFZSA-N 449.503 4.782 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862660701 OZTUZZYNPZYQJN-XMMPIXPASA-N 443.547 4.984 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1862675733 SBLQSDFLTITXDR-JLCFBVMHSA-N 433.435 4.576 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CC)cc1 1862761858 ULFHOMRMCWGFQE-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE CCCOc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862776759 DUXFWLIZZKOXLY-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCCCC)cc2)=C(c2ccccc2Cl)C1=O 1863444930 LSGNVVLBQXUGJB-UHFFFAOYSA-N 438.911 4.675 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2cc(OC)ccc2OC)C1=O 1863717654 VMTMEXBBILMETD-UHFFFAOYSA-N 430.589 4.922 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1Cc1ccc(OC)cc1 1870346794 CUTKTXXJAGUDTJ-UHFFFAOYSA-N 448.538 4.797 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871434930 WGTQLQMJBNUGFR-PDESAOGPSA-N 449.503 4.624 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871640203 PEZSPTDSSPDMPI-UHFFFAOYSA-N 446.574 4.686 30 10 IJEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872771386 SVLTVVWUYIPCFA-WBMJQRKESA-N 435.530 4.756 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2cccc(OC)c2)C1=O 1873215184 SACPUBHLRLBQIQ-UHFFFAOYSA-N 436.817 4.745 30 10 IJEE CC[C@H](C)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424205 MAGRMUDCDSALGS-KRWDZBQOSA-N 438.531 4.956 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(O)c(OC)c1 1874229786 BNJFEJIQFXUZNT-SSDVNMTOSA-N 432.933 4.527 30 10 IJEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(O)cc1O 1874245020 UOFANHYJTDKSAZ-ZVHZXABRSA-N 426.586 4.833 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccs1 1874367650 CNXNAESWGBJTTA-UFFVCSGVSA-N 434.974 4.834 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(F)cc2)o1 1874437975 CQUFQIPACRUUFN-ZMOGYAJESA-N 444.532 4.950 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 1874446375 XMADHISFOXCHLY-IXOWOOARSA-N 428.945 4.706 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1cccc(Cl)c1)Nc1ccccc1 1874493278 DIVANGBHVAPXKM-YDZHTSKRSA-N 425.945 4.812 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2F)cc1 1874494006 AFXFJFFSCPELBS-BRJLIKDPSA-N 441.507 4.745 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OCc1ccccc1C 1874559662 FTQDUQUXGLPAQE-BHGWPJFGSA-N 436.459 4.754 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)cc(Cl)c1OC 1874565560 HLRKIEGBLFJSEC-ZMOGYAJESA-N 438.940 4.864 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCc1ccc(C(=O)OC)o1 1874605260 LARHGTCMNOPIOR-DHZHZOJOSA-N 436.460 4.949 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 1874614917 WZVQGOHIMPLJFH-BUHFOSPRSA-N 446.459 4.907 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 1875124815 DDNXLOPANSYYDT-QPJJXVBHSA-N 425.225 4.947 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875127024 LFRCOASKOHYNOZ-ACCUITESSA-N 433.416 4.727 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875129371 YOORHUNEIBDWOH-OQLLNIDSSA-N 432.472 4.974 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)c1ccco1 1875146735 CBUGHSMRGWIRNM-GQCTYLIASA-N 440.835 4.828 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(C)cc1 1875151379 IVTPFIXBBCLYCX-JXMROGBWSA-N 430.456 4.777 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)c1OC(=O)C1CC1 1875194260 OMTNNOVDYHVIRC-WEVVVXLNSA-N 446.883 4.586 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCN2Cc2ccc(Br)cc2C#N)C1 1966564874 IARVFHSQRNAXIB-RVWIWJKTSA-N 434.378 4.733 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CC[C@H](CCNC(=O)OC(C)(C)C)C1 2037242644 IJFJCWRBOVXFTE-JJTGBXKASA-N 446.632 4.574 30 10 IJEE N#Cc1cccc(COc2cccc(C=C3SC(=S)N(c4cccnc4)C3=O)c2)c1 2040807755 NWLBBBVFADAYOM-UHFFFAOYSA-N 429.526 4.938 30 10 IJEE C=CCC1([C@H](N)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2047971774 WQSGRJVAHJRWJK-OAHLLOKOSA-N 429.786 4.786 30 10 IJEE CCOP(=O)(OCC)c1cn(Cc2cccc(C(F)(F)F)c2F)nc1C(F)(F)F 2080389074 ZNDAWAPAYCDPLO-UHFFFAOYSA-N 448.275 5.000 30 10 IJEE COc1ccc(Br)c(-c2c(C3CCCCC3)nn3c(N)c(C#N)cnc23)c1 2081230029 NZTJWJOOZCHCLN-UHFFFAOYSA-N 426.318 4.669 30 10 IJEE CN(Cc1cccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2101328400 JVABQAJRXQHNOF-UHFFFAOYSA-N 442.365 4.558 30 10 IJEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)cc1Br 2156353227 ZEQBUDDMJOMGIP-HXUWFJFHSA-N 426.358 4.556 30 10 IJEE CC[C@H]1CCN(Cc2ccc(Br)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2174563748 AMMKNUYBRUVJBV-HNAYVOBHSA-N 436.394 4.836 30 10 IJEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2cc(Br)ccc2C#N)CCCCC1 2181139179 KBMNWFOFTWMSCB-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181147224 QUEALFIMBDTEFL-JLTOFOAXSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181147573 SMXVSYUAFGRLQU-MGPUTAFESA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(Br)cnc3C#N)CCCC[C@H]2C1 2198830738 XRXWDLOADQUTQG-XOBRGWDASA-N 436.350 4.664 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2232467229 NEJDIJRWCMFGDK-YJBOKZPZSA-N 441.414 4.574 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2235728591 RXZOMUGYJFSRSZ-UHOSZYNNSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2235732519 YSKZPEZKKJSUJT-NBCNXNJRSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](O)C#Cc1ccccc1Br)c1ccccc1 2235739722 JSYMRSFZKCBDAM-ICSRJNTNSA-N 430.342 4.818 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2235747446 PWXMNGHVMDRPSP-QWFCFKBJSA-N 435.406 4.862 30 10 IJEE Cc1cnc(NCC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241098527 ZUANZERKKJRRHA-NOTZXAQLSA-N 447.432 4.544 30 10 IJEE CC1(C)OB([C@H]2C[C@@H](C(=O)N[C@H]3CCN(Cc4ccccc4)C4(CCC4)C3)C2)OC1(C)C 2267116590 PACHDKPWBDBOJN-BDTNDASRSA-N 438.421 4.562 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)ccc21 2267581097 NHUJBOKCRRVSIH-ZWKOTPCHSA-N 442.365 4.795 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2ccc(C#N)c(Br)c2)CCC1 2289524039 JNYYPAAROUYASC-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(F)cc3)ccc2O1 2296136025 NQRSFWNHGCQANF-VOIUYBSRSA-N 443.474 4.771 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CN(CCC(F)(F)F)C(=O)OC(C)(C)C 2296222375 RFYAHVACPABHKO-MRXNPFEDSA-N 449.311 4.578 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(N)(C#Cc1ccc(Br)cc1)CC2 2296230937 YLCVBMVWWZFGJG-PPNDLDFTSA-N 433.390 4.603 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296277609 USWLRROUKZCJSZ-PGRDOPGGSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317310520 BJPPWGWJZRJZEZ-GOSISDBHSA-N 429.370 4.538 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2c(F)cccc2Cl)c(C)c1 2321202214 QLGJIXKLXXEMGJ-UHFFFAOYSA-N 431.924 4.609 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] 2323489783 LMNWQFYGQNVCCF-UHFFFAOYSA-N 440.496 4.527 30 10 IJEE COc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OCc1ccccc1F 2323517607 JAVCYFWLNFTWBB-UHFFFAOYSA-N 434.496 4.843 30 10 IJEE Oc1ccc2cc(Br)ccc2c1C=Nn1c(S)nnc1-c1cccs1 2323532223 XEUIZISBQSFPDO-UHFFFAOYSA-N 431.340 4.799 30 10 IJEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccccn3)C4=O)cc2nc1C 2323556579 XJOBPBOIHHOYQT-UHFFFAOYSA-N 437.455 4.785 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCC(=O)N(CC)CC 2323743491 BJLMULWHGHTIJU-UHFFFAOYSA-N 443.490 4.845 30 10 IJEE CCOC(=O)CCN(C)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2323987329 RUCSGDGLPNMLIF-UHFFFAOYSA-N 437.536 4.825 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OCC(=O)OC 2324169237 AOOYNVQOSMUENQ-UHFFFAOYSA-N 427.453 4.565 30 10 IJEE N#C[C@@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2c[nH]c3ccccc23)cs1 2324672789 NLJRRWNOIBCRSA-KRWDZBQOSA-N 427.485 4.952 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2F)ccc2c1OC(=Cc1ccncc1)C2=O 2325490706 ZMRFYQUJXCQGFN-UHFFFAOYSA-N 438.842 4.816 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2325630861 XRXDFMUKFXOTSC-INIZCTEOSA-N 444.443 4.925 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OCCCN(C)C)cc(C)c2C1=O 2325702766 PAOHPXBLYCMFDY-UHFFFAOYSA-N 446.341 4.713 30 10 IJEE CC(=O)Oc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1 2326698922 LVQRJTWLMCTCIZ-UHFFFAOYSA-N 435.336 4.993 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)c(O)c1 2330492001 KRUPTTIRBJQCBM-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE CCOc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)ccc1O 2330919487 DDTWOFIPAGSVQK-HXUWFJFHSA-N 438.553 4.717 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1c(F)cccc1Cl)Nc1ccccc1 2331484335 FKDAOOGZHPMKMD-UHFFFAOYSA-N 443.935 4.951 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COC)nnc1SCc1ccc(Cl)cc1 2331595512 ZRPOEZAOOBYVAI-UHFFFAOYSA-N 428.945 4.817 30 10 IJEE CCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(C(C)C)cc1 2331653732 CZXTYTQZAFDJSK-UHFFFAOYSA-N 427.618 4.777 30 10 IJEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576567 JNNTYHOLTLQEAE-HKUYNNGSSA-N 443.397 4.608 30 10 IJEE Cc1ccc(OCc2cc(I)ccc2Br)c(C#N)c1 2341781477 ZFWXLWONULOUGP-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE CN(C[C@@H]1CN(c2cc(Br)cc(F)c2C#N)CC12CC2)C(=O)OC(C)(C)C 2366106394 XORMYYFRBKBTDO-CYBMUJFWSA-N 438.341 4.543 30 10 IJEE CSc1nc2n(n1)[C@H](c1ccc(F)c(Br)c1)C1=C(CC(C)(C)CC1=O)N2 9496008 NVBZKFOUZRFXGT-OAHLLOKOSA-N 437.338 4.560 30 10 IJEE C=CCn1c(SCc2nc(-c3ccc(C)cc3)no2)nc2sc3c(c2c1=O)CCC3 11149613 WZDDTEUKXPXDOQ-UHFFFAOYSA-N 436.562 4.783 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(C)c(C)c2)NCCc2cccs2)n1 14158969 IJGWLPXVFGKCFZ-UHFFFAOYSA-N 438.626 4.769 30 10 IJEE Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccccc3Cl)CC1=O)N2 17095134 SQXAPVUMSBRBFR-LAJNKCICSA-N 426.854 4.934 30 10 IJEE C=CCn1c(SCc2nc(C)c3ccccc3n2)nnc1[C@@H]1COc2ccccc2O1 25766828 WLKHCOSLHLVGKD-FQEVSTJZSA-N 431.521 4.521 30 10 IJEE C=CCN1C(=O)S/C(=C\c2cc(Br)c(O[C@@H](C)CC)c(OC)c2)C1=O 33457680 GLDALVYCVBZTLD-SAIXKJTDSA-N 426.332 4.857 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1 59016265 SKILRMHWDZNZKC-UCXQJLNCSA-N 426.933 4.608 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1 100262811 MELXGFSUMBXVAX-VKWHMPGMSA-N 426.300 4.723 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1 170006780 JQIKRIZLEOITFM-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@H]1c1ccncc1 170025676 IJFJDAGQOLOLQA-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2)c1 170047669 FGJOVPVUAKLISE-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(F)cc2)s1 170065894 WNWPJWNHHALJJV-GOSISDBHSA-N 448.479 4.558 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170077519 MKYCDLTYPKAJMW-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(OC)cc1 170116496 XPOXOASWZRGDMW-LJQANCHMSA-N 429.900 4.654 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OC)cc1 170116800 FLLZJGQXPSIUKZ-HJPURHCSSA-N 435.520 4.787 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(C)c1 170144205 HQUFYUFOUFYIIW-HSZRJFAPSA-N 442.515 4.794 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccn2)c1 170170320 IJIWSCGQYRCVIT-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccn1 170181462 LCZXEBQOUKPJBS-QHCPKHFHSA-N 449.595 4.608 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)cc1C(C)(C)C 170181949 WGSKPGOKQMGUGF-QFIPXVFZSA-N 434.536 4.909 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2ccccc2)c1 170224051 JITIZUDFXGIODG-DEOSSOPVSA-N 440.499 4.607 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)ccc1Cl 170230946 OCZRYZOKVNOCMN-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccccc1F 170249817 RFZCVKRTZSMOJV-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccccc1F 170252570 VQMCBBLJFODDCV-HXUWFJFHSA-N 447.890 4.875 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)cc1OC 170303761 QIXQLRXEAPRQOX-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(C)o1 170305896 NXZXJZFOHNQXIH-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2sccc2C)cc1C 170317300 WTZCQBSJQUWXDZ-NRFANRHFSA-N 448.544 4.937 30 10 IJEE CCCCCOC(=O)CSc1nnc(N/N=C/c2cccc(Oc3ccccc3)c2)[nH]1 253571001 OJLUFTVDTVPRTL-HZHRSRAPSA-N 439.541 4.869 30 10 IJEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccco1 255637093 FFCYZQZFLKWUNE-FQEVSTJZSA-N 437.496 4.888 30 10 IJEE C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 508815896 FDPVUVQCHJTLLG-SFHVURJKSA-N 435.576 4.739 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C 537486968 PPVQQORSWOGWQN-QFIPXVFZSA-N 435.568 4.583 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc(COC(c3ccccc3)c3ccccc3)n2)c1 545649844 FWVBTSUAYXQUSY-UHFFFAOYSA-N 425.488 4.959 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 549326798 TUYCETHOPYTJLS-OAHLLOKOSA-N 442.545 4.620 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N4CCC(C)(C#N)CC4)n3C[C@H]3CCCCO3)cc2C1 550030598 AKIFMYOBFRIQDO-IEBWSBKVSA-N 439.629 4.831 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 554929575 CFULEJGBEXMWCT-IIBYNOLFSA-N 440.931 4.541 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C[C@@H](c2ccccc2)O1 569711495 IEEZQGWRCGDTQG-NLFFAJNJSA-N 435.531 4.831 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCN[C@@H](C(=O)/C=C/c3ccc(C(C)C)cc3)C2)cc1 585835485 SLRDAOHAGCXSBU-JCLWYOCQSA-N 446.591 4.601 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1C#N 687810445 AWISBCRDVNEMSW-AREMUKBSSA-N 444.462 4.926 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 698986970 LHZRIUZJUVDGCO-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE C/C(=C/C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F 742041503 SHFJFRORZKNXJJ-XLEIFJPLSA-N 431.433 4.657 30 10 IJEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 784609782 VHRIJGLQISPLFV-HSZRJFAPSA-N 445.947 4.507 30 10 IJEE N#Cc1ccc(COC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)cc1 785535759 YNNWPFDDALRIQO-UHFFFAOYSA-N 444.871 4.509 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2Cl)cc1 795520864 VUZBRAKRRAYKFA-UHFFFAOYSA-N 434.927 4.651 30 10 IJEE C=C(C)Cn1c(-c2oc3ccccc3c2C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1122506854 PZWKVIQKFYPXQV-UHFFFAOYSA-N 447.583 4.805 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)c2C#N)C1 1124282561 HCDOPTRRYVUIAO-LLVKDONJSA-N 446.363 4.943 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)CCc2ccc(OC(F)(F)F)cc2)ccc1OC 1126127966 FXYLCWDIBFHGPY-KRWDZBQOSA-N 436.430 4.524 30 10 IJEE C#CCOc1ccc(NC(=O)c2c(-c3ccc(Br)cc3)noc2CC)cc1 1126141843 QNBZTUXJIFYPHR-UHFFFAOYSA-N 425.282 4.931 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1ccccc1 1127384360 QFMSYWXSVWVUEO-CVDCTZTESA-N 426.582 4.687 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 1127629948 ICBVQFRSRPCBLO-QGZVFWFLSA-N 449.482 4.523 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)c1ccc(F)c(F)c1 1128142257 SJNGOYDMOIHBRK-QFIPXVFZSA-N 426.463 4.965 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1)OCC 1131229247 TUGGEALHZCFTRC-HNNXBMFYSA-N 435.347 4.759 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1)c1ccccc1 1134862506 YKDRFSNWIUTLFG-BRUQSJHLSA-N 445.588 4.537 30 10 IJEE C=CCNc1ncc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)s1 1141366020 RFGUHHDNXCKKJS-UHFFFAOYSA-N 426.767 4.619 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCN2Cc2ccc(Br)cc2C#N)CC1 1141809929 HEOOPSWICMGYRP-UHFFFAOYSA-N 434.378 4.686 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2c(Cl)cccc12 1150346389 KKDMHLRYEWIUDF-INIZCTEOSA-N 426.344 4.516 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 1150961377 SRTOHZWMCGKWKD-UHFFFAOYSA-N 426.991 4.925 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)c1ccc(C(F)(F)F)cc1 1151868170 WHOHQRFWWHUQAA-KRWDZBQOSA-N 431.462 4.883 30 10 IJEE C=CCN1CC[C@@H](N(C)[C@@H](c2ccc(Cl)cc2)c2ccc(Br)cc2)C1=O 1167607890 DQWDZIZYNRDTBB-WOJBJXKFSA-N 433.777 4.911 30 10 IJEE C=CCn1c(SCC(=O)N2CCC(C)(F)CC2)nnc1-c1ccc(Cl)cc1Cl 1169210479 SKPDXEFQYJSLRS-UHFFFAOYSA-N 443.375 4.881 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cccnc2SCc2ccc(Br)cc2)CC1 1178199000 VHDJESLDSPGKCV-UHFFFAOYSA-N 447.398 4.680 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1OC 1178436667 OQVFUWXEJVJHKW-UWJYYQICSA-N 445.401 4.633 30 10 IJEE C#CCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCc2ccccc21 1198104638 QBDJMSCVWIQFDS-QHCPKHFHSA-N 436.602 4.726 30 10 IJEE CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 1201432032 BVFITWDBUBTBCN-FQEVSTJZSA-N 445.336 4.761 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1OCC 1203161435 NRAPGYUQMYVURT-UYAOXDASSA-N 448.405 4.647 30 10 IJEE C#CCN(Cc1cnc(CC(F)(F)F)s1)[C@@H]1CCOc2ccc(Br)cc21 1204924512 WSRLVMMRCLXFAG-OAHLLOKOSA-N 445.304 4.969 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(Cc2ccccc2Br)cs1 1216109966 DTDZYFDCNKVBLC-YOEHRIQHSA-N 436.375 4.599 30 10 IJEE C[C@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C 1218288024 GUNMDRCCUNVWPN-FUHWJXTLSA-N 444.576 4.750 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@H](C)C2)n1 1221880896 UTIOBWBQTBDLHD-XTJBDQBJSA-N 436.600 4.550 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)CCCN1C(=O)OC(C)(C)C 1277700417 JRPUZCANOITLCU-JOCHJYFZSA-N 430.936 4.810 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@](C)(C#N)C1 1286314821 HLSWYVQNQSYOQS-OAQYLSRUSA-N 444.352 4.780 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(Cl)s1 1286368380 SPEYCTXLRRKWOA-UHFFFAOYSA-N 438.940 4.950 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1286537429 BZPGWDUZGWTJDO-UHFFFAOYSA-N 437.407 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286554114 WUWRXJQBEMRNAM-JWWGGVBKSA-N 441.526 4.525 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCCSC)nnc1C1(c2ccccc2)CCC1 1286566204 MPQGBRLLVQVEIS-UNMCSNQZSA-N 440.657 4.919 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO[C@@H]1C(C)C 1286571323 OLBPYJQSAMOWKR-DENIHFKCSA-N 426.561 4.527 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1cscn1 1286596077 SEGONUXGAFDWRT-UHFFFAOYSA-N 431.993 4.921 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1286639965 AUYKVZQHJFPGFL-MRXNPFEDSA-N 427.911 4.757 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C)CCCC2)CC1 1286656780 ZRZWIZCPOMHWOT-UHFFFAOYSA-N 440.588 4.954 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1286708732 YCCSNGQALBBKSE-IBGZPJMESA-N 426.605 4.839 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1ccsc1)N(C)C 1286719024 BTBWSJRUUQVNRO-SFHVURJKSA-N 431.993 4.594 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCN1CC=CCC1)C1CC1 1286738936 JVILNOXOXCKRBT-UHFFFAOYSA-N 430.021 4.641 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1CC1C[C@@H](C)O[C@H](C)C1 1286763106 SXECBIJWAGJLGS-FGZHOGPDSA-N 445.611 4.703 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1CCOCC1 1286765818 VKDKWLVDSJVFJF-UHFFFAOYSA-N 447.004 4.879 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)CN(C(=O)OC(C)(C)C)C1 1293332758 KBVSMHFTUBEJIY-UHFFFAOYSA-N 429.561 4.731 30 10 IJEE C#CCN(CC#C)C(=O)CN(CCCCC)C(=O)OCC1c2ccccc2-c2ccccc21 1293841149 JAVZGIIMFLAOFC-UHFFFAOYSA-N 442.559 4.523 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1300284488 SPTDOEBMPWWJDS-KLHJMIIUSA-N 431.378 4.513 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1sccc1Br 1300286578 KWTWEURAZMRHJV-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1300348946 ONQNMNLSRPQCAK-UHFFFAOYSA-N 428.540 4.531 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)CCCCC)CC1 1300392175 NPGCOYLMMPDOKZ-UHFFFAOYSA-N 442.007 4.677 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1ccsc1 1300602336 QHBGLMYYPRMUJD-AOMKIAJQSA-N 444.988 4.500 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1300813890 UGSIXQLQBGQUBB-PRVBGKCFSA-N 447.671 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCOC2(CCCCCC2)C1 1300884425 KLXUEJINSVZZHP-IRLDBZIGSA-N 430.637 4.778 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1300973459 XMKSWBVLFUCTBW-RTBURBONSA-N 440.519 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1Cc1ccccc1 1301160684 VFKYKCASFLUQEM-QHCPKHFHSA-N 432.616 4.954 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)C1)c1ccccc1 1301168885 VXMPYJGJGSJTMH-CTNGQTDRSA-N 449.624 4.866 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1 1301340552 IDANMFQIENFQJM-FGZHOGPDSA-N 434.632 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCC1 1301365427 OUNHXDDHJZPMLV-NHCUHLMSSA-N 443.661 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H](C)c1c(C)noc1C 1301365774 YJMJDIVPUAMQNA-QGZVFWFLSA-N 448.596 4.927 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CCc1nccnc1C 1301405294 DCOGZYRXZOZYFO-UHFFFAOYSA-N 448.958 4.768 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CC)C1 1301595246 QNUZPPDCLXPJON-IBGZPJMESA-N 427.618 4.693 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(C)C)C1 1301605917 CXXUTLDLIWWAPC-FQEVSTJZSA-N 436.629 4.922 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](c3c[nH]c4ncccc34)C2)CCCN1C(=O)OC(C)(C)C 1301946259 CMXZIAVZCHZTFR-IQGLISFBSA-N 438.572 4.615 30 10 IJEE COc1ccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nnc2-c2ccco2)cc1 1307312769 BDTISLGUMNSFGO-LJQANCHMSA-N 430.489 4.504 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc3ncccc3c2)c1 1309007059 JJQKKHCUUZKJIL-UHFFFAOYSA-N 445.496 4.798 30 10 IJEE Cc1cnc2c(NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cccc2c1Cl 1311042498 DSIVUHRKYWVFQE-UHFFFAOYSA-N 433.943 4.854 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 1311377105 ZWEIPRRXQNVQPT-RUZDIDTESA-N 426.564 4.631 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1)c1nc(-c2ccccc2)cs1 1350510432 SCCNWIIUGGGKKN-HXUWFJFHSA-N 431.561 4.945 30 10 IJEE Cc1sc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c(C#N)c1C 1351222686 BHYYKVUVYOMNAP-LJQANCHMSA-N 438.553 4.792 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CC2(CCCC2)c2c(F)cccc21 1352247200 AJUFKYQIVJETQN-UHFFFAOYSA-N 429.289 4.697 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)CCCN1C(=O)OC(C)(C)C 1353929933 MYFWHRWOYSPWMJ-SANMLTNESA-N 448.567 4.618 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccn1 1354753473 FPKSTUJZKSRYFP-UHFFFAOYSA-N 435.509 4.600 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1nc(C)c(C)s1 1359002212 RPKGUJFYBODEOH-UHFFFAOYSA-N 430.581 4.577 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccoc1 1359051405 VVHXDRDXHSWPPO-UHFFFAOYSA-N 426.611 4.871 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359102248 ZDEDSKNZXHAJHA-WCIYBSDLSA-N 448.533 4.717 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCC(OC)CC2)CC1 1359176426 YBWHXRRBCQUNSB-UHFFFAOYSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1359178482 SRNWDNBICKFPRP-IBGZPJMESA-N 436.478 4.711 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCO[C@H](c2ccccc2)C1 1359191362 WQQGCIMZYILAEQ-QHCPKHFHSA-N 448.615 4.710 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1Br 1359203434 PDTDSWIWUQWHNK-GOSISDBHSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCOC[C@@H]1C 1359267547 KDUJJQCKDUQKOZ-JKSUJKDBSA-N 449.368 4.698 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H](OC)c2ccc(Cl)cc2)C1 1359324465 LLWBFVYSMNEGDO-YADHBBJMSA-N 445.007 4.833 30 10 IJEE COc1cc(C#N)ccc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1435795008 GDDQDARVOLYVJB-QFIPXVFZSA-N 445.519 4.716 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)c1 1436480050 BTZACOKJZYMTHO-CABCVRRESA-N 445.610 4.588 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 1440714456 OEZLRRMSUUIIEK-SFHVURJKSA-N 449.910 4.665 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3ccco3)c3ccc(C)c(C)c3)ccc2c1=O 1443631816 JYCXBEBRWWVUOF-UHFFFAOYSA-N 445.544 4.928 30 10 IJEE C=CC(C)(C)CCNC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1454002866 DSLSMCHLIXKVRX-OAHLLOKOSA-N 428.495 4.648 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1Oc1ccccc1 1459318594 FFUVYVUGPXHMKA-QGZVFWFLSA-N 431.879 4.996 30 10 IJEE CN(C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(Cl)cc1 1465582776 DXEKCKJFGZHIKP-DEOSSOPVSA-N 433.939 4.823 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cccc(NC(=O)COC)c1)c1ccc(C(F)(F)F)cc1 1467839285 MDQZNMPLWWNROJ-FQEVSTJZSA-N 449.473 4.797 30 10 IJEE CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 1469755882 FQJGKVZNPZHXJC-IMWIBFENSA-N 448.567 4.842 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)c1ccccc1 1476542608 BCCNGEPRPVZEMN-AWEZNQCLSA-N 427.327 4.854 30 10 IJEE CC[C@H]1CN(C(=O)Nc2scc(C)c2C#N)[C@H](CC)CN1C(=O)OCc1ccccc1 1476558668 HVQMYLMTELSYFH-MOPGFXCFSA-N 440.569 4.972 30 10 IJEE C#Cc1ccc(CNC(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 1478671839 OBSDJXOAQKFAIU-UHFFFAOYSA-N 425.410 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507516484 CEPNSIHZXPJQLA-VXNXHJTFSA-N 447.671 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCc2cccnc21 1507545184 BTFUDLKYSFLZJI-PZJWPPBQSA-N 431.609 4.852 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cccs2)CC1 1507571378 YPOLFTJCTZRMCV-UHFFFAOYSA-N 449.624 4.666 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1507579261 PZZVPMQUJIWZJI-LJQANCHMSA-N 444.505 4.622 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1507580470 FWYAGHNTQCDPNP-CVEARBPZSA-N 431.378 4.754 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC(C)C)C1CCCC1 1507839622 FSNOHIFMOZJYLZ-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1507900370 LTJNUWVGAOIHIE-FNZWTVRRSA-N 432.616 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCc2sccc2C1 1507910106 GFMMXLHVYAVNLO-UHFFFAOYSA-N 429.634 4.813 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1507949075 XZYMOFSJULUKDH-GGAORHGYSA-N 429.653 4.619 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(c2cnn(C)c2)CC1 1507952966 YZBLFEOTZOIRFN-UHFFFAOYSA-N 434.588 4.558 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCOc1ncccc1Cl 1508024370 ISINYJGNYRQSIG-UHFFFAOYSA-N 429.952 4.531 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1Cc1cnc(C)s1 1508025735 BPBAAYCWHXIYEF-UHFFFAOYSA-N 435.553 4.595 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1508073309 JJNMEOOUIFSFDO-ZBFHGGJFSA-N 436.387 4.569 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@H]2C)[C@H]1C 1512137943 CQGIDWFNHLHOBL-SRYPRDQNSA-N 437.588 4.559 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)N[C@H](COc3ccccc3)c3ccccc3)CC2)c(F)c1 1521131165 AANMOPORPCOXHS-RUZDIDTESA-N 443.522 4.850 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(Br)cc(N(C)C)c2)C(F)(F)F)cc1 1521344013 NYEPYDZPFAQOCT-KRWDZBQOSA-N 426.232 4.957 30 10 IJEE C=CCn1c(SCC(=O)N2CCC(C)(C3CC3)CC2)nnc1-c1ccc(Cl)cc1 1524096763 XMAFNQPWMZNQRL-UHFFFAOYSA-N 431.005 4.915 30 10 IJEE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)nnn1-c1ccc(F)c(F)c1 1524140880 DHTNDGDGGBBGAX-UHFFFAOYSA-N 431.402 4.770 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1525031926 FWNLGMQSPWQEKY-FTRWYGJKSA-N 425.916 4.835 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1528528633 VACWMALGZKTFKE-FYYLOGMGSA-N 446.657 4.572 30 10 IJEE C#CC[C@H](CCOC)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 1530714301 SSPINPZYSXULCM-RMWKRFJVSA-N 434.561 4.780 30 10 IJEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1531865882 AWIAWJBWQCILOW-NRFANRHFSA-N 435.524 4.824 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2oc3c(C)cc(Br)cc3c2C)c1 1534303389 UMRTWTNIIKDZIH-UHFFFAOYSA-N 439.309 4.504 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1ccccc1 1534343883 IVZXLOHNHAAIQH-JXALWOEJSA-N 440.609 4.791 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)cc1 1534583497 GYHRDKDLGRMJKL-LSDHHAIUSA-N 445.610 4.588 30 10 IJEE C=CCCC[C@@H](C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1537636049 ZRKGNKKSKAUWAX-LMGFAJPXSA-N 427.585 4.912 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCSC1(C)C 1539194641 CWHDPLVYXBMGNA-CQSZACIVSA-N 439.412 4.765 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H]2c2ccc3c(c2)OCO3)nnc1C(C)(C)C 1539609507 PVSIJFMAUOSCPO-HNNXBMFYSA-N 433.350 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1CCN1CCc2sccc2C1 1539676300 MFIXECWNQDOWMM-UHFFFAOYSA-N 435.641 4.586 30 10 IJEE O=C(Cn1nc(C(F)F)cc1C(F)F)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 1539885811 IDQWTTMEZZUTDR-OAHLLOKOSA-N 439.331 4.924 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1539910692 ZIRQAPQUNKODQF-SFHVURJKSA-N 445.007 4.975 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1539967556 IXMJCLOCXRWVSW-FQEVSTJZSA-N 441.576 4.707 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC)[C@H](C)C1 1540013681 BTGKZXUMEUIHNF-MRXNPFEDSA-N 438.403 4.661 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1Cc1ncnn1C(C)(C)C 1540140808 TUIOPUYFBMIQBB-UHFFFAOYSA-N 447.612 4.902 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C 1540147862 OLZVVRJHADTVHM-NHCUHLMSSA-N 441.620 4.549 30 10 IJEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCSC2(CCCCC2)C1 1540881865 VCQYFIOJQDRROS-UHFFFAOYSA-N 442.629 4.684 30 10 IJEE CS[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1555851617 DQXYHZQQWAZCMV-AVRDEDQJSA-N 426.565 4.646 30 10 IJEE C#Cc1cccc(N(C)CC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)OCC)c1 1559526619 DFUJNUVQBOPZNI-UHFFFAOYSA-N 432.545 4.956 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 1562104608 YDZIFANQBGFPNK-AZUAARDMSA-N 449.617 4.516 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCN1CCCc2ccccc21 1562928378 FHDZAYXHEIKITA-UHFFFAOYSA-N 430.346 4.588 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OC)cc1OC1CCCC1)c1ccc(Cl)cc1F 1564233550 VKKLYKYEYFPDSK-NRFANRHFSA-N 430.907 4.983 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](Cc2nc(C)cs2)C1)c1ccc(Br)cc1 1565000572 ZVOHPLPDJDWWNG-YJBOKZPZSA-N 432.387 4.553 30 10 IJEE Cc1ccc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(N2CCCC2)n1 1567440628 CSFFUBXLBBPQBE-UHFFFAOYSA-N 428.561 4.943 30 10 IJEE O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H](O)c1ccccc1C(F)(F)F 1567654990 GOEUEXLWHKXMSV-INIZCTEOSA-N 435.339 4.745 30 10 IJEE N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 1584702544 DHTZRXLUHYLAFK-IFXJQAMLSA-N 427.298 4.941 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCC(C)CC1 1587585403 ALXIJDWEYVGZLL-VQTJNVASSA-N 439.673 4.711 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ccsc1 1588605053 XGCKXUXNKPBCEQ-UHFFFAOYSA-N 435.380 4.642 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1589036283 BLKRBAVTTBXHGE-VWLOTQADSA-N 449.624 4.501 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1589078668 WBEUEESSYHYLAE-PMACEKPBSA-N 429.033 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCCCCC1 1589243108 UELPJWPSWBJFPX-RUZDIDTESA-N 436.600 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1589559251 OZHMVWUIZAVUDV-WGGBDISSSA-N 438.597 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCO[C@H](C)C1 1589607999 ABWBUOXXOGKQQM-LJQANCHMSA-N 432.012 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)c1ccsc1 1589636867 KIHUOIPQMJIKIB-XMMPIXPASA-N 435.597 4.808 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1593702927 ARKJWAFIKPTJJJ-HXOBKFHXSA-N 432.515 4.908 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCCOC2)C1 1594572546 FFKRGXCONCHMDI-HSZRJFAPSA-N 432.515 4.910 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CC(C)(C)C1 1596805952 ALURDXQGPDTRPL-CYBMUJFWSA-N 434.357 4.879 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCc1csc(C(C)(C)C)n1 1596830370 ABQWAFNGBFBCSN-INIZCTEOSA-N 440.592 4.601 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CCC2(CCOCC2)O1 1613298807 AFVMDMMHBATOIZ-SFHVURJKSA-N 435.977 4.517 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(Cc3oc4ccccc4c3Br)cnc21 1613395266 WNIAMJLLNYBGGB-UHFFFAOYSA-N 434.340 4.732 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(=O)c2ccccc2n1C 1616627093 HDAUIUCPUUCBOJ-UHFFFAOYSA-N 425.463 4.705 30 10 IJEE CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1cccc(F)c1C#N 1621657566 ATSVEFRCKLVSCE-CYBMUJFWSA-N 425.323 4.622 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1622219399 YWXDSCOQQWBCKY-UHFFFAOYSA-N 448.629 4.607 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCCc3nc(C(F)(F)F)cs3)cc2)nc1 1622983329 BJWARQRPSDQOMC-UHFFFAOYSA-N 433.415 4.585 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1623620800 RQAOMCFAOBWGIV-SZMVWBNQSA-N 426.479 4.990 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 1625509570 HRAIIWIISAZFGO-FCHUYYIVSA-N 449.551 4.703 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)cc(Br)c1O 1633112194 RXKPCJQQLYXBJA-CYBMUJFWSA-N 447.757 4.996 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 1635748570 WELGIOMESJJPHD-RPWUZVMVSA-N 428.488 4.805 30 10 IJEE C=CCn1c(SCc2cc(O)nc(-c3ccccc3)n2)nc2sc(C)c(C)c2c1=O 1640683895 NLORMOUCYPVGRJ-UHFFFAOYSA-N 436.562 4.716 30 10 IJEE C=CCC[C@H](C(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)c1ccccc1 1641665943 NPGTUCVLGVXZNY-RTWAWAEBSA-N 436.518 4.776 30 10 IJEE Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 1641929477 CBGUSAWCUQLBMX-UHFFFAOYSA-N 439.262 4.866 30 10 IJEE C=CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1642726601 SLQQOIHQLXTYAU-FQEVSTJZSA-N 435.351 4.594 30 10 IJEE C=CCn1c(SCCc2cn(C)nn2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1643381205 JEIOURKUPBYWGR-MRXNPFEDSA-N 442.658 4.807 30 10 IJEE C=CCn1c(SCc2ccc([Si](C)(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 1643491849 TVOIZWUNJZFZAP-OAQYLSRUSA-N 437.641 4.814 30 10 IJEE C#CC1CCN(C(=O)[C@@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1643525380 DLZMPXCMKFMJQS-HHHXNRCGSA-N 430.548 4.566 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)c(OC)c1 1644126043 RLWCGCFHDMSCLM-UHFFFAOYSA-N 429.507 4.952 30 10 IJEE C=CCn1c(SCCOCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CCCC3 1651638002 QSMVMACFMSHDAF-UHFFFAOYSA-N 442.606 4.840 30 10 IJEE C#C[C@H](NS(=O)(=O)c1sc2cccc(F)c2c1C)c1ccc(Br)cc1 1655459198 PIKCRNBLGGYUFX-HNNXBMFYSA-N 438.343 4.764 30 10 IJEE CN(c1ccccc1)c1ccc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 1657957646 IABLAHNIDYDSTA-XMMPIXPASA-N 431.971 4.885 30 10 IJEE C#CCN(C(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1)C(C)C 1660104001 WNPQYMRJZSIOMB-UHFFFAOYSA-N 436.253 4.833 30 10 IJEE COC(=O)Nc1ccc(CCNC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 1661010508 GNFLKHJPNYXIJJ-UHFFFAOYSA-N 430.464 4.893 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(CSCCC(=O)OC)c1)c1ccc(Cl)cc1F 1668422956 JFTXTNOZVDDWAV-LJQANCHMSA-N 434.920 4.771 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@@H]1CCCc2ccccc21 1669778815 GKOGWHMXDVHDDS-VGOFRKELSA-N 441.369 4.939 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3cc(Br)cc(F)c32)cc(OC)c1OC 1677637406 QFZGJDLLVWGYSS-UHFFFAOYSA-N 449.320 4.606 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 1681333402 BDUQMMFFBQYWGX-ZCYQVOJMSA-N 426.532 4.619 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 1682560528 VFOXSDFWUDDCAR-JXALWOEJSA-N 448.563 4.964 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1683107453 ZRUQWBOQYKYDJU-IFMALSPDSA-N 429.605 4.900 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 1686826359 GOSVYSQQCBTYSH-NRFANRHFSA-N 441.453 4.657 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCC2(CCCC2)O1 1686928463 UOFAUXANWKHKSR-KRWDZBQOSA-N 425.342 4.778 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cccc(C)c1 1689835415 MDNFLGYTWYXMGH-RBUKOAKNSA-N 434.609 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1CCCC[C@H]1C 1689846434 JTAAHQDOICJLHZ-LEWJYISDSA-N 432.616 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)c1nc(C)cs1 1689866374 AYXMJXKWHTWZRZ-DOTOQJQBSA-N 441.626 4.606 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccncc1Cl 1689946540 RXNCOAAIHCLWOM-INIZCTEOSA-N 444.366 4.854 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](c1cccnc1)C(C)C 1690001353 JLFYFBADLPLAEU-RPBOFIJWSA-N 425.580 4.728 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)c1cc(C)oc1C 1690195822 PXKKISHZTIMKPD-RPWUZVMVSA-N 438.959 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1csc(CC)n1 1690255980 ZJVCHJUEKKCPAZ-UHFFFAOYSA-N 438.601 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)c1ccsc1 1690271516 RWTQRTGIPHRYKF-XMMPIXPASA-N 440.613 4.846 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1690412257 JZHFBQCSVGBHBC-FQEVSTJZSA-N 443.636 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](OC)[C@H](OC)C1 1690422640 VMCLNZPKFLBKIL-YTQUADARSA-N 444.645 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 1690426499 PNHIHRJDQUUIMP-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](Cc3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1690439405 FDPYNPRTURKNLF-GJZUVCINSA-N 438.616 4.602 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H]1CCOC1 1690456063 UOUUQMIIASYVSR-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1690487922 HWSSSOOPLTYBQP-NRFANRHFSA-N 441.938 4.601 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@@H]1C 1690558164 GZUDOFGTLIPMHA-IFXJQAMLSA-N 437.345 4.681 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1690744237 KOXFFEGEKSYNJV-UHFFFAOYSA-N 431.553 4.967 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nc(C)cs1 1705477911 UCICHNZRCZXCKB-DLBZAZTESA-N 444.004 4.959 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCOc1ccccc1C 1705607983 YRFOEIIWWFGDNT-UHFFFAOYSA-N 445.386 4.616 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC#N)CC1 1705709333 NMZVIFRYAMZOTE-RCZVLFRGSA-N 449.599 4.585 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1705726158 UTYHYJXOUZUUKV-ICSRJNTNSA-N 444.023 4.620 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705805424 GWQFPGKJLNRJHV-GGAORHGYSA-N 429.653 4.619 30 10 IJEE C=CCCCn1c(N(C)[C@@H](C)c2cc(F)ccc2F)nnc1[C@@]1(OC(C)C)CCOC1 1705823534 OIUNWICMGRQTKA-GAJHUEQPSA-N 434.531 4.761 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@H]1C 1705827368 CEBZEUSRQWBUIO-HZPDHXFCSA-N 449.393 4.544 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1705853777 HVJYEGVSONVWEY-SBUREZEXSA-N 430.543 4.753 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccco1 1722310805 PPWCHDDYCMFVKD-UHFFFAOYSA-N 443.345 4.749 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](SCC)C1 1722317379 SWNSSBMLXHJKED-UGKGYDQZSA-N 440.613 4.706 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCSC(CC)(CC)C1 1722493685 KSEHBUIHUDTADA-QUCCMNQESA-N 430.618 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(OC)C1 1722496306 KIHNXKJLYUAEQE-MONBJTKQSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@H]1CCCCO1 1722505717 OQYRSHLAASHIFJ-QGZVFWFLSA-N 436.398 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOc2ncccc2F)CC1 1722575504 LVQYECGIJGSXRC-UHFFFAOYSA-N 427.911 4.614 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1722585088 QOVPWGSIBQKBAV-NQIIRXRSSA-N 442.629 4.720 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](COCC)C1 1722601540 YDKVEGJTPAWYHT-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722617973 BMJPADRFUHXRQF-UHFFFAOYSA-N 442.652 4.578 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)nn(C)c1C)C1CC1 1722646668 KKUMOWMBPUDTFN-KRWDZBQOSA-N 440.979 4.625 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC(C)(C)c1ccccn1 1722655253 KGTVXPKCRQUCEG-UHFFFAOYSA-N 449.562 4.777 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCc3sccc3C2)nnc1C(C)(C)C)C(C)C 1722664522 BRMOSPZYXHLSFW-FQEVSTJZSA-N 427.662 4.898 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)[C@H]2C[C@H](OCC)C2(C)C)cc1 1722706329 RETBUVATJVWPIN-GOTSBHOMSA-N 447.583 4.593 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc2ccccc2o1 1740582573 FLUOLUBMASNKLS-UHFFFAOYSA-N 438.329 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1Cc1occc1C 1740729149 BKVIPNPPQSSSRY-OAQYLSRUSA-N 425.330 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1740768991 DVYSBWXJNYJEFX-UHFFFAOYSA-N 435.572 4.779 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1740788687 ZIKYZHKWYPFFAI-FXAWDEMLSA-N 432.515 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCO1 1740845074 CYCNUQFSQQQZBP-CQSZACIVSA-N 439.423 4.987 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCCC)CC1 1740871058 OXTGWHAOTAFELK-KRWDZBQOSA-N 436.398 4.787 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(N(C)C)CCCCC1)C1CC1 1740913344 LASPUYGKXDRWCB-UHFFFAOYSA-N 437.632 4.893 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1ncc(CC)s1 1740936106 HSJPPLHLBPXEQR-UHFFFAOYSA-N 444.564 4.712 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(OC)c(F)c1 1740944339 BNWHAXURMIYOHF-UHFFFAOYSA-N 437.338 4.739 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 1740967119 XKWDRJXZXUPGHJ-CALCHBBNSA-N 427.499 4.614 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)C1 1743020119 GYJJTQGSLQDRNL-STZQEDGTSA-N 432.572 4.728 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1748642357 NRNRAOCOWRSUOO-WBVHZDCISA-N 447.530 4.996 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CCOC)CCCCC1 1748650230 YYZDUCAAFZNVRA-FQEVSTJZSA-N 446.599 4.780 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1748656162 NCZUKCDMJLZPDG-USXIJHARSA-N 436.478 4.714 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC1CCOCC1 1748834777 WHNJMNXPILUHAU-UHFFFAOYSA-N 431.367 4.532 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)CC(C)(C)C1 1749046598 CFNCUOIYUWWDRA-IBGZPJMESA-N 426.630 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCOc1ccccc1F 1749131157 QISLKLMEOZMJJT-DENIHFKCSA-N 428.552 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCn2ccnc21 1749165567 JFWCBPPLLJNOBW-OAQYLSRUSA-N 434.588 4.650 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2ccc(F)c(Cl)c2)nnc1[C@]1(OC(C)C)CCOC1 1749281614 IPFASLSOHANVSO-FQEVSTJZSA-N 443.350 4.500 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN([C@@H](C)c2nccs2)CC1)c1ccccc1 1749384373 ASLNVXDTPVASAW-PZJWPPBQSA-N 436.629 4.540 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1749384573 DGTOZYRNDDJOEZ-BJKOFHAPSA-N 437.632 4.800 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCC1(F)F)C1CC1 1749515321 WQOMYCHVWBZDAE-MRXNPFEDSA-N 432.515 4.943 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@@H]1CCN(CC)C1 1749544709 KVOBWGBAIWMCOO-OAQYLSRUSA-N 425.596 4.684 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@H]2C)C1 1749696116 QCZALWORZHUWSB-YVWKXTFCSA-N 432.515 4.764 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1760116778 SXMOURKRHYCBMU-RXVVDRJESA-N 439.991 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)c1nc(C)cs1 1760224080 XBOHZKIEPLWBSO-HXUWFJFHSA-N 447.608 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccccc1F 1760323541 DGCQUVDFKQRHOY-WWEVIYMKSA-N 435.547 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCOc1cc(C)cc(C)c1 1760339215 ACVWTIQKQFNLAY-UHFFFAOYSA-N 425.602 4.732 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(F)CCC2)CC1 1760393683 VYYPUHLYNNQPEQ-SFHVURJKSA-N 433.572 4.789 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1760408411 KXPTYRASAMQUAQ-UHFFFAOYSA-N 442.007 4.792 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1760411809 DBFMIIZHEDVSHF-VQTJNVASSA-N 440.588 4.743 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C)c1ccccc1 1760419961 GSFXWORUAPOQFZ-DHIUTWEWSA-N 449.643 4.678 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C1CCCCC1)N(C)C 1760461806 HFLGXTPGPPPBFL-QFIPXVFZSA-N 434.588 4.733 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCOC[C@@H]1C 1760485915 VQVLRZKKUOWMBH-AZUAARDMSA-N 438.597 4.880 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1760496477 WFQNZQDRJKROJG-SJORKVTESA-N 435.597 4.745 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1nc(C)cs1 1760499266 SWNUAHJIKZYTEW-GHTZIAJQSA-N 437.613 4.586 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CC(C)(C)c1ccccn1 1760499926 PCVVBYKEVOWQBV-UHFFFAOYSA-N 428.540 4.541 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1C1CCCCC1 1768633049 CBYQIFMSWHOINO-QHCPKHFHSA-N 434.632 4.881 30 10 IJEE COC(=O)c1ccc(/C=C2/SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1 1772733131 HJZKWUCMVREGEO-FGQBOHQFSA-N 427.551 4.866 30 10 IJEE Cc1cccc(N=C2S/C(=C3/C(=O)N(C)c4ccccc43)C(=O)N2c2ccccc2)n1 1772737498 OXEDTJAOBJOOOL-NBUZBCLASA-N 426.501 4.545 30 10 IJEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)Nc2cccc(Cl)c2Cl)CC1 1860592310 YGEFYUORDYZSQC-HXUWFJFHSA-N 435.351 4.681 30 10 IJEE O=C(/C=C/c1ccccc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 1860725990 LHHPDXGCMXZRRJ-VMPITWQZSA-N 443.175 4.597 30 10 IJEE CCCCCCCCNC(=O)CNC(=O)c1cc(CC(C)C)n(-c2cccc(Cl)c2)n1 1860945112 LMDSUIIERXSDOZ-UHFFFAOYSA-N 447.023 4.931 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861192082 BKLPMUQVHBVEOZ-NVQXNPDNSA-N 447.639 4.799 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCN(C)C)c1 1862379373 AGRXLRBGFBGCCR-FQEVSTJZSA-N 447.362 4.832 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(N(C)C)cc1 1862415076 OOLRMLAQMAIYEN-NRFANRHFSA-N 428.479 4.655 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1ccccn1 1862456587 VOXVNQZUVBLDME-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@@H]2c2cccc(F)c2)cc1 1862474894 YCYSDZDWBHKKDM-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862484916 UBIRVGPJMXELKM-FDDCHVKYSA-N 437.536 4.523 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 1862514226 GCZDBXWWGNGRSV-XMMPIXPASA-N 442.515 4.957 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(OCC)c1 1862526095 OVUFJURWSIKBKZ-LJQANCHMSA-N 442.309 4.612 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(F)c2)cc1 1862529057 BLROIXORJOWHQS-JOCHJYFZSA-N 425.500 4.782 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC)cc1 1862634582 OUGYWESZXQSEFL-JOCHJYFZSA-N 437.492 4.583 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(F)cc2F)C1=O 1863661449 NDHYPZJZLZSSQN-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCCCCC(=O)N2CCCCC2)c1 1866219438 VNNXZZXZMCLAGI-UHFFFAOYSA-N 445.563 4.999 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1cccc(C#N)c1 1866643993 SZDWEXCWCVDVQS-QFIPXVFZSA-N 444.535 4.686 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccccc1C#N 1866693928 CQJCBKOQZVMDGT-ILBGXUMGSA-N 440.547 4.593 30 10 IJEE C[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867117348 PHPANFYFCGJVAO-HRAATJIYSA-N 433.458 4.502 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3cccc4ccccc34)cc2)CC1 1870152765 JWWVMCYXAQHOBP-UHFFFAOYSA-N 436.519 4.781 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870162022 IWXSZYCMAVTEIV-UXHICEINSA-N 446.942 4.525 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c(C)c1 1870162194 OIKMTUZQPDPCNE-OALUTQOASA-N 448.958 4.689 30 10 IJEE CCCCCCCOc1cn(CCCCCC)c(CN(CCOC)CCOC)cc1=O 1870416547 COBDKPDCQYHBCK-UHFFFAOYSA-N 438.653 4.873 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870813000 RGZOAEBSAVRMBA-UHFFFAOYSA-N 440.462 4.739 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1cccc(C)c1C 1870872535 KIQOHJJGRFSNPV-UHFFFAOYSA-N 428.573 4.990 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)c(OCC)c1 1871386829 PKKDEMDVMSZIFQ-QRVIBDJDSA-N 431.444 4.714 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)ccc3C2=O)o1 1871390618 FUDIUWPKTBVCKC-XKZIYDEJSA-N 432.428 4.985 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCC(O)CC2)n1 1871505143 SBMDCIGBFCDKME-UHFFFAOYSA-N 440.636 4.894 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871910314 IVMBMXMZZHRMBW-AOMKIAJQSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872156888 DARIJIFAGDQSQE-QHCPKHFHSA-N 441.597 4.908 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872268554 VTBXJTPTVPMOKU-OFNKIYASSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872467432 DWIZITRDGLQLPZ-HSZRJFAPSA-N 428.598 4.706 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872504789 MZJZPNBPDUCDFD-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 1872775843 BURFBGRTZXBABX-GOSISDBHSA-N 442.544 4.979 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873272013 BKUNQOXYWZNWIK-QHCPKHFHSA-N 449.510 4.596 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N(CCO)CCCC)ncnc21 1873655237 ULXNXKZCKIKUTH-UHFFFAOYSA-N 449.599 4.811 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N3CCCCC3)cc1)n2CC 1873656018 IPZCQGVQTQOCJF-UHFFFAOYSA-N 444.583 4.872 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874221241 AYMBMZGTVTZWGZ-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(O)c(OCC)c1 1874324959 RBCWPDVWARZRPE-ZVHZXABRSA-N 438.553 4.739 30 10 IJEE Cc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)cc1 1874408883 UXIOSQMSDKRMTB-ZVHZXABRSA-N 428.602 4.883 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(C)c1 1874435996 HKEKNNAPSYJWAP-YSURURNPSA-N 448.379 4.704 30 10 IJEE CCCNC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1c(Cl)cccc1Cl 1874455562 YXFNDNACOMWLIR-FOKLQQMPSA-N 440.400 4.743 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2sccc2C)o1 1874481711 KCHVNAXZJDHTOL-SRZZPIQSSA-N 432.571 4.890 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(C)cc2)cc1 1874487197 FFRJUWFPDLZJQB-MFKUBSTISA-N 435.597 4.960 30 10 IJEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874489899 QAQCDBAXAGMNLR-SSDVNMTOSA-N 445.932 4.918 30 10 IJEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccccc2F)cc1OCC 1874526793 HPGDVHOXFXGPKW-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2/N=C/c2cccc3ccccc23)c1 1874530608 RQLPXLSTXCEKCI-AFUMVMLFSA-N 429.549 4.970 30 10 IJEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCC(=O)Nc1ccc(C)cc1C 1874534177 VTKYCXGKRWAFQS-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C)ccc1OC 1874581637 YNKGSQYSZYQEKF-SOFGYWHQSA-N 447.325 4.994 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC(=O)NCc1ccccc1 1874597764 CXGIXNPSPDPYLC-YRNVUSSQSA-N 437.442 4.565 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(OC)c2)cc1 1875115314 XSEUPFHUWJTUAE-NTUHNPAUSA-N 447.443 4.656 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2cccc(C(F)(F)F)c2)c1 1891152927 IMHPGKNWWIOSFY-UHFFFAOYSA-N 432.486 4.683 30 10 IJEE C#C[C@@H]1N(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CC1(C)C 1899919404 YRWPNMHVPDVNOQ-AYCKEJKLSA-N 444.575 4.810 30 10 IJEE CO[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1904836053 CPCBZGQRLFHIPP-IRXDYDNUSA-N 439.940 4.513 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(I)ccc1Cl 1905044127 KIVMUGIFTNDYAN-AWEZNQCLSA-N 449.716 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)c1cc(F)ccc1Br 1922073281 BZLKSVUMSHIEOK-VXKWHMMOSA-N 436.365 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Cc2c(Br)cccc2Br)C1 1980243293 CIVLMWOPAVLWTB-QGZVFWFLSA-N 444.167 4.905 30 10 IJEE C#C[C@@H](C1CC1)N(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1993836598 VSESWLNCWIKMHB-ATANMQQVSA-N 444.575 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2076129271 ANQWHASJCSAYPE-TVZXLZGTSA-N 446.632 4.524 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 2076317011 IPTDWQJOQFUAJL-RZPFDVGOSA-N 446.632 4.526 30 10 IJEE CNCc1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079240501 SPHVVEIXFQVOTA-UHFFFAOYSA-N 434.153 4.590 30 10 IJEE CC(C)c1ccc([C@@H](C)n2nc(C(F)F)c(C=NO)c2I)cc1 2080001612 LDSBPLLTMJUOBG-SNVBAGLBSA-N 433.240 4.966 30 10 IJEE Cc1cc(O)c([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1C 2080055846 LGDPBRQHEMROSB-OAHLLOKOSA-N 445.251 4.865 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCOCCC1(F)F 2097094420 GYHDQQJBWUHYLO-KRWDZBQOSA-N 431.277 4.899 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNc1cc(Br)c(C#N)cc1F 2105975388 BUGQVVLXVINQMS-LLVKDONJSA-N 434.256 4.516 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC2(CC1)C[C@H]2CN 2158292785 SDCFASJVQGNOBG-VUZGARFFSA-N 434.378 4.992 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(c1ccc(C#N)c(Br)c1F)CC2 2174768149 AHQHBZGJJXWNJE-GJZGRUSLSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 2174808725 REWCKHWMROPZNM-HNNXBMFYSA-N 444.320 4.792 30 10 IJEE C=CCC1(Oc2cc(Br)nc(CCC)n2)CCN(C(=O)OC(C)(C)C)CC1 2184505934 GVPNWWXIKZCJCF-UHFFFAOYSA-N 440.382 4.916 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1ccnc2cc(Br)cnc12 2202047064 HREVXKBXVBRPDY-HXUWFJFHSA-N 436.350 4.878 30 10 IJEE C=CCCCCCCCCC[S@@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2207432033 LMVOPONXOQYRMN-URAOTHONSA-N 437.602 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@H]1C(=O)C#Cc1ccccc1Br 2227491375 RLUIGZRZTNGXRC-QGZVFWFLSA-N 438.387 4.501 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229112762 CVRQGKATRKLDPM-QZTJIDSGSA-N 441.486 4.907 30 10 IJEE C=C([C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(F)(F)F 2229125329 CVKVIWYGLDCZDQ-LSDHHAIUSA-N 437.300 4.591 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(c3ccc(C#N)cc3Br)C1)C2 2234941196 GZAJQASMQNRHKT-IIBYNOLFSA-N 434.378 4.937 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235719484 FXMAZMRPOBFTBX-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](CC#CC1CCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251480728 ILPMTVCASHOBCE-ZEQRLZLVSA-N 427.633 4.574 30 10 IJEE C[C@H](Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)c1cscc1Br 2266059194 HKXVDDRSQFJKGW-JTQLQIEISA-N 427.148 4.517 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2267574901 APKCOCUXCHYKEW-UHFFFAOYSA-N 444.381 4.547 30 10 IJEE Cc1ccc(COc2ncccc2B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OC(C)(C)C 2278712884 IOKOJDMHOPYUPM-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE C#CCOc1c(Br)cc(C=C2SC(=O)N(c3ccccc3)C2=O)cc1OC 2294028441 JRAXZXQUFNMJGV-UHFFFAOYSA-N 444.306 4.711 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1CC 2296285728 DFZVQJUZKNJUMM-JUXOCIIHSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2296299221 SIYZUUWJDPRHJX-OALUTQOASA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(CCNC(=O)OC(C)(C)C)CCC1 2296299640 XQFXGDIZLPLDEZ-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@]1(C)CCN1C(=O)OC(C)(C)C 2296306601 JHSJCVYPQZPGOD-DENIHFKCSA-N 435.406 4.958 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 2297746786 BXAIPTZQVSXACH-QFIPXVFZSA-N 433.891 4.971 30 10 IJEE CCCCOc1ccc(C(O)=C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccccc2)cc1C 2297747663 NAUYLZCLROGKBV-HSZRJFAPSA-N 437.536 4.632 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccccc3C)NC2=O)ccc1O[C@@H](CC)C(=O)O 2314933903 FBQGVAIJAAEMGC-KRWDZBQOSA-N 440.521 4.527 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)NCc1cccc(C(F)(F)F)c1 2318789607 VNJBAKFXYHZRGV-UHFFFAOYSA-N 430.195 4.506 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2OC)cc1 2322104201 OVRVRNVDJNXLOW-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE C=CCN1C(=O)c2cccc(OC(=O)C=Cc3cccc(OCc4ccccc4)c3)c2C1=O 2322130920 PHLDWWWGUOOTJV-UHFFFAOYSA-N 439.467 4.666 30 10 IJEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2cc(OC)c(OC)c(OC)c2)C3=O)C1 2322341265 PLNHJWNXJWFONA-UHFFFAOYSA-N 439.508 4.589 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccncc1)C3=O)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 2322436692 ATTKMPZTCRUOBI-OAQYLSRUSA-N 448.906 4.545 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OCCCO)c2Br)cc1C 2323318552 SWIXEMOBKZKDSF-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Br 2323766644 AQBYBSDFGDAUNP-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE C=C(C)COc1c(OC)cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC 2324718812 NLAJZESCPPNHCJ-UHFFFAOYSA-N 428.481 4.581 30 10 IJEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(OC)c(OC)c1)C2=O)C(=O)O 2324781151 FTNIFSWTQIIDHE-GOSISDBHSA-N 426.465 4.651 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COCc3ccccc3)c2)c1 2325706841 GXQWGCGPGAZBOK-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1F 2325748330 LYFLGWNIFRCBKI-UHFFFAOYSA-N 449.272 4.817 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCCO)cc1 2327593210 UEHYYFRDGBWMJL-UHFFFAOYSA-N 444.988 4.775 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cc(OC)ccc1OC 2328904714 PAQJSFVYCQSBBP-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(F)cc2)cc1 2330824111 IAXBVPMTDVLOGG-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 2331069086 QHGWGVAMBVBJRK-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C(F)(F)F)cc1 2331117615 MPSFENCKZGXNCF-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)COCCOC 2331135835 DUJSYSWUSTXHAR-UHFFFAOYSA-N 444.911 4.542 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1 2331175029 FHXFJAHSTPUHJS-UHFFFAOYSA-N 436.468 4.638 30 10 IJEE C[C@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339589463 XUVAYWMKFMWHRU-HKUYNNGSSA-N 443.397 4.784 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)CC1 2340133150 CCYGWVRBUHRZBX-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(C)C 2358672024 QRPXMDVQWBEIJF-LZNRXBQRSA-N 435.406 4.718 30 10 IJEE CC#CCN(C[C@@H](Cc1cccc(C)c1Br)NCCC)C(=O)OC(C)(C)C 2363119569 CELABMIDNZPWCC-LJQANCHMSA-N 437.422 4.929 30 10 IJEE Cc1nc2ccc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)cc2nc1C 12240251 UWDFIUKQNUGQFY-UHFFFAOYSA-N 447.502 4.721 30 10 IJEE C#CCN(Cc1ccco1)C(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 14973968 BOVMICYDBOZMBZ-MUUNZHRXSA-N 440.543 4.580 30 10 IJEE COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)c(Br)c2)c1 20881740 PVDWQCULFRPSBR-WMZOPIPTSA-N 440.337 4.770 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2cccs2)n1)Nc1c(Cl)cccc1Cl 21079366 GIZTZIRUCSHUEH-DJKKODMXSA-N 441.369 4.740 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)cc1OC 33385634 ZHCUFQRFXHMZGF-ZLFAKCGPSA-N 428.440 4.939 30 10 IJEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccccc1OC 40219805 BIVOQPIRXFFVES-UHFFFAOYSA-N 435.568 4.919 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1ccc(OCC)cc1 59263881 UOLVZSLWGWCGRP-UHFFFAOYSA-N 436.581 4.769 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C)c1 100221934 ORNMDATVKLYXKV-HSZRJFAPSA-N 444.616 4.790 30 10 IJEE Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@H]2c2cccc3ccccc23)s1 102693524 VXZKNDCZJQQXBV-GOBJLOIFSA-N 445.475 4.765 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(F)c2)c1 169929137 YLDWHAPVJIWQQM-LJQANCHMSA-N 438.480 4.691 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)c1 169990617 JUIBJEJBGNUZFB-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccn2)cc1 169995025 DNDYZJSBVFLCRF-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 170055356 QYYNGSHGQXSLNS-DEOSSOPVSA-N 443.474 4.582 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)c1 170161815 SCPLGESKMBLLPQ-GHTZIAJQSA-N 441.549 4.540 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c(OC)cc1Cl 170166518 ZGAIARJTQBASEI-LJQANCHMSA-N 447.940 4.940 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccn1 170181096 HNHAJQDAXUORHB-SFHVURJKSA-N 429.314 4.613 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170212415 GWLSUOFRHZFMPZ-XMMPIXPASA-N 442.490 4.878 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)c(C)c1 170246760 JNWQMVCOYPMGJL-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F 170248045 KOZCERDXNIVGCH-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1ccccc1F 170253136 HLAPGECSIBKWGB-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c[nH]c2ccccc12 170254594 ARZLNXCAWLBQQF-XMMPIXPASA-N 440.499 4.936 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(F)c2)o1 170299129 CCRYALMERXWKRQ-JLCFBVMHSA-N 433.435 4.833 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC)c2)ccc1OC 170439208 BACKTQNBHGCODJ-OAQYLSRUSA-N 439.508 4.618 30 10 IJEE COc1cc(-c2nc(N3CCCCCC3)[nH]c(=O)c2C#N)ccc1OCc1ccc(C)cc1 223972332 YZOAWRDTYNWIKI-UHFFFAOYSA-N 444.535 4.585 30 10 IJEE CC(=O)OCCCCSc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1 253563138 FCEIDFLHEFOZIZ-BUVRLJJBSA-N 433.537 4.993 30 10 IJEE C[C@@H]1CCC[N@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@H]3C)cc2)cc1 253712546 VZVYOTUPBUMWMH-IKTNGCAPSA-N 434.624 4.977 30 10 IJEE COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N 303383802 WPIMIHIMSPXPFC-LBPRGKRZSA-N 441.372 4.653 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 410352280 ZPRGFCFBILPULU-HXUWFJFHSA-N 427.342 4.697 30 10 IJEE N#Cc1ccc(NC(=O)CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 443454924 QIBUPHUCGSZQRO-UHFFFAOYSA-N 429.867 4.998 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 464050791 NSRUWMRVDSQIOV-UHFFFAOYSA-N 430.414 4.847 30 10 IJEE CC1(C(=O)Nc2nc(C(F)(F)F)cs2)CCN(c2ccc(Cl)cc2C#N)CC1 481880394 ZVIYHNOKCAJNIM-UHFFFAOYSA-N 428.867 4.932 30 10 IJEE N#CCCCOc1cccc(CN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 501712700 AGNWTRMOZGRUEA-QFIPXVFZSA-N 443.551 4.724 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 504009592 XXIFHTXZWIPQEO-UHFFFAOYSA-N 433.552 4.579 30 10 IJEE COc1cc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526489677 XLQXTKABEAVTMQ-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)c(OC)c1 526490806 PWPAVSHEMNUWES-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 549272915 QIQVOIJTRRSSTK-UHFFFAOYSA-N 443.020 4.917 30 10 IJEE C=C(CC(=O)c1cc(F)ccc1F)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585825855 MAOFWCFLUHEGED-UHFFFAOYSA-N 441.522 4.537 30 10 IJEE O=C(Nc1ccccc1)NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 586507758 BLJVHEBQOHZQGC-UHFFFAOYSA-N 443.352 4.832 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 670196303 HFSUMXRPVYTSLI-UGKGYDQZSA-N 449.603 4.661 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698497140 LDUAOEYOOMRYBY-OAHLLOKOSA-N 440.338 4.607 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1sncc1Br)NCCC 719922166 XNWMSDQMLCJWMS-CABCVRRESA-N 432.428 4.676 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(F)(F)F)c1 750199003 TXXJURHHYYEEEQ-ZDUSSCGKSA-N 447.862 4.829 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CCCN1C(=O)OC(C)(C)C 790663248 YCEOCIRIFMZATF-MFSJNOQSSA-N 447.645 4.593 30 10 IJEE C#C[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1F 804420464 JBGDGFFBLSOYGR-GOSISDBHSA-N 427.932 4.796 30 10 IJEE C(=NNc1nc(SCc2nnc(C3CCC3)o2)n[nH]1)c1cccc(Oc2ccccc2)c1 1083903923 WQRQNTGRNWRHOI-UHFFFAOYSA-N 447.524 4.986 30 10 IJEE C#CCN1CCC(C(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)CC1 1128473347 ZHJOIVMBYSNHFS-UHFFFAOYSA-N 431.305 4.664 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(Cl)cc1 1129602053 IOEQPSHCPGGDLV-UZLBHIALSA-N 449.765 4.990 30 10 IJEE C#C[C@H](CC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 1129610439 LIOJNTJVUXEKPE-LRXXLLMYSA-N 426.516 4.880 30 10 IJEE CCOc1ccc(CN2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)cc1 1136075563 ATLSJVURPQMMNO-UHFFFAOYSA-N 441.531 4.707 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCc2ccccc2F)CC1 1137551033 XHLAVVXHSDUKQU-NRFANRHFSA-N 434.552 4.583 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2cnc3c(Br)csc3c2)CCCC1(C)C 1189784047 BSTFVJXBLNMYQW-HNNXBMFYSA-N 429.405 4.814 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(c3ccccc3F)C2)cc1OC 1202638619 OGGLRDVPUSWBHJ-MRXNPFEDSA-N 435.337 4.530 30 10 IJEE C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 1205103894 BAVCYINCBIBRSS-NYHFZMIOSA-N 449.580 4.927 30 10 IJEE C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)C(C)C 1211530718 JFHQMRBTOWUTHS-IBGZPJMESA-N 435.659 4.571 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(COCCOCC)c1C)c1ccc(Br)cc1 1215462518 JGQHCGYDXHONOM-HXUWFJFHSA-N 445.357 4.807 30 10 IJEE C=CC[C@H]1N(C(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)CCCC1(C)C 1270794281 YJXMWPQNBNUGJH-HXUWFJFHSA-N 446.613 4.518 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3nc(Cl)c(C#N)s3)nn2-c2ccccc2)cc1 1272289609 ICEHZVMKMTXOQG-UHFFFAOYSA-N 435.896 4.782 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)c1ccsc1 1286516169 XTMCEKMZZROZIT-YADHBBJMSA-N 426.973 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(C)nc1 1286565289 CTRJFRLNFFJWCI-UHFFFAOYSA-N 426.362 4.862 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCOCC)CC1 1286639612 ASNZDBCZANNEFH-UHFFFAOYSA-N 439.785 4.944 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC2(SC)CC2)CC1 1286664606 ZSKIBWGACUVFOH-UHFFFAOYSA-N 428.602 4.554 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1286684063 DWHGYEUEOJXBFX-HXUWFJFHSA-N 449.603 4.691 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286744278 CQWLXBQOCJSGJD-VQQMMKBISA-N 428.552 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cnn(CC(C)C)c1C 1286748220 UGOBHDYHGCFBMO-UHFFFAOYSA-N 449.628 4.747 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cscc1C 1286766083 XROPFXYMRZWCHO-UHFFFAOYSA-N 433.581 4.859 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2c(C)coc2C)C1 1286803476 IHKWQDOEGQVFJD-IBGZPJMESA-N 444.482 4.586 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@H]1C 1291083417 BHFWUOQCXSDNJE-HBFSDRIKSA-N 444.624 4.567 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCC(=O)c1cnn(C)c1)c1ccc(C)c(C)c1 1293123808 VADZLPKVDOFTFT-UHFFFAOYSA-N 431.536 4.798 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F 1299260448 SBPBODQGQXRKPP-UWJYYQICSA-N 430.495 4.834 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OC)CCCCC1 1300321199 LSUBOKUPXZGTBT-HXUWFJFHSA-N 438.616 4.962 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCC2)C1 1300342986 WSEXBXKHMZPMHV-GOSISDBHSA-N 428.964 4.634 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(c2nc3ccccc3o2)CC1 1300761628 DGAZFUOCHMFMPE-UHFFFAOYSA-N 437.613 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCCN1CCC[C@H](C)C1 1300813111 AMKZYTGFDUOCNZ-RBJSKKJNSA-N 447.671 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccccn1 1300901877 UNXLZFCUHFWWAW-UHFFFAOYSA-N 443.393 4.811 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(F)F)C1 1301019227 RLQZLPRFMKTNON-ZDUSSCGKSA-N 431.712 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1301136848 FZMRCMWWKAQRSH-IRLDBZIGSA-N 448.615 4.542 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](OC)C1 1301176941 MVWQONRPUYBCJX-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301203178 UYYZDYOCGNDAJN-BGRXAOQBSA-N 430.980 4.635 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H]1CCCCO1 1301207169 RMAKAEAGUNWIQV-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301229559 UBETVAPNSAVYNO-QFIPXVFZSA-N 436.522 4.559 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H](CCC)OC)C1CC1 1301320505 GLNBBYKYGPGXAC-INIZCTEOSA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1C[C@H](F)c1ccc(Br)cc1)C1CC1 1301323353 JCGBUZPGACPZGS-SFHVURJKSA-N 442.336 4.968 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CC1CCN(CC(F)(F)F)CC1 1301349003 IHIWRTIGIRBFOV-UHFFFAOYSA-N 449.565 4.944 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@H]21)C(C)C 1301367472 OPUUWGLGJQNNKX-ICDZXHCJSA-N 444.627 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1cnc(C)s1 1301375950 UTBYRYQUABMZDL-UHFFFAOYSA-N 436.404 4.761 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1scnc1C 1301467530 XSKMAZQJJSLOBR-UHFFFAOYSA-N 431.993 4.839 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1 1301612936 RTQYYQLRJHJEKX-OALUTQOASA-N 449.665 4.548 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301615669 SONBGGKNMALEEH-CALCHBBNSA-N 445.583 4.997 30 10 IJEE COc1cc(CN2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 1307790729 BHSRYVMIDDQYFW-PMACEKPBSA-N 449.595 4.613 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)c1ccc(Cl)cc1F 1311208770 ROIKQQOKUPFATA-OAQYLSRUSA-N 437.858 4.866 30 10 IJEE C=CC(C)(C)CNC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1312711619 WIUYXHHBCQZGPL-UHFFFAOYSA-N 443.588 4.573 30 10 IJEE C#CCN(C(=O)NCc1csc(C)c1C)[C@@H]1CCOc2ccc(Br)cc21 1313136649 OCWLNKBWVQRHEV-GOSISDBHSA-N 433.371 4.796 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCC[C@H](OC)C1)c1ccc2c(c1)OCCO2 1350583119 MEVVPNDOHXLWHJ-KNQAVFIVSA-N 437.536 4.761 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2nc(CC)n(-c3ccccc3Cl)n2)c1 1352428614 BMEVJADBTBAITK-UHFFFAOYSA-N 430.895 4.904 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)N1Cc2ccccc2C1=O 1353013055 HUPPEHCCJTZBLE-GOSISDBHSA-N 427.479 4.584 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2ccc3c(c2)c(C(=O)OC)c(C)n3C2CC2)c(OC)c1 1354240395 ZRWIUFAOJPDRRW-UHFFFAOYSA-N 449.503 4.793 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1358917165 IRZUNXOUDMQAKX-LEWJYISDSA-N 425.646 4.601 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2ccccn2)CC1 1359161158 RTISJZWYVRTEDE-UHFFFAOYSA-N 442.336 4.641 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359167675 PIYPDFIFTKBHNA-SANMLTNESA-N 434.584 4.727 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCSC2)CC1 1359174364 AUKTWFRKUJNVFN-OAHLLOKOSA-N 436.423 4.581 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C(=O)OC)C1 1359184082 BPRFRYKNOWKJRS-DLBZAZTESA-N 442.629 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(C)C)CC1 1359189613 PKEIRQJBUVLBQR-UHFFFAOYSA-N 431.575 4.716 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1Cl 1359219475 RDXUCCJWSSUZAV-UHFFFAOYSA-N 429.977 4.526 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1359234749 ZIISGHVKQCAERX-WMLDXEAASA-N 439.423 4.843 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1359340462 NKJVNLGJSGWENP-UHFFFAOYSA-N 435.519 4.858 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2CC(C)C)ccc1Cl 1436640456 IMWHCZCXWHJDSU-WIYYLYMNSA-N 447.000 4.886 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C#N 1450012341 GRSZBOFXTLFULR-UHFFFAOYSA-N 449.532 4.789 30 10 IJEE C#CCN(C(=O)CCCN(CCC)CCC)[C@H]1CCOc2ccc(Br)cc21 1465180041 UZQWOTQTHNUNAT-FQEVSTJZSA-N 435.406 4.637 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 1467547503 AGPAUCGEZSHKTD-OALUTQOASA-N 449.389 4.728 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1467613640 KOINFCKMLUMLCA-LEWJYISDSA-N 428.001 4.698 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(Br)cc1 1470664080 VLQJTDHHTYJJNG-SFHVURJKSA-N 438.325 4.854 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CCC(C)(C)CO1)[C@@H]1CCOc2ccc(Br)cc21 1471466216 JGKDJUYHIJZAHZ-PKOBYXMFSA-N 449.389 4.513 30 10 IJEE CCCCc1ccc(-n2c(Sc3cc(C#N)nc(C)n3)nc3ccccc3c2=O)cc1 1472637094 HWIPLRJJLOTIAO-UHFFFAOYSA-N 427.533 4.850 30 10 IJEE C=CC[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1cc(C)ccc1OC)C(=O)OC 1472912768 DIYUCRPXVNPMNT-IBGZPJMESA-N 444.940 4.566 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c(Cl)c1 1475100318 BAVIVTZBKKVQGE-UHFFFAOYSA-N 441.670 4.598 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cnc2c(Br)csc2c1 1475384878 MDAAJCPCEFEMPP-CQSZACIVSA-N 437.384 4.525 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2c(Br)cncc2Br)CCCC1(C)C 1478682448 BAXIPNKWOMXULC-HNNXBMFYSA-N 445.199 4.883 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 1478792246 YCEATASRBNTLJR-RRPNLBNLSA-N 441.550 4.639 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C 1478806562 HPQNEYFADWCSOX-BKSPAHHJSA-N 427.589 4.653 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1479507159 HTNKFGWUPHNVOI-AOUJKTHWSA-N 441.572 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507522280 UVOLTUUZRGWYOO-MSOLQXFVSA-N 445.558 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 1507534411 XVIFQNOKEQYDKR-KKXNLOMOSA-N 443.636 4.848 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCc1nccs1 1507555591 CDRWLRFQPNWPDR-UHFFFAOYSA-N 429.977 4.546 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCSC2(CCCCC2)C1 1507756170 KYMVQBYUIMATAP-UHFFFAOYSA-N 444.645 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507800207 MIGVGYFGVMOLRV-UWJYYQICSA-N 443.954 4.694 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1507832630 KHLJDNUTDHAQIY-OFNKIYASSA-N 437.613 4.814 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1507838322 QDBORDPTEODUEK-XZOQPEGZSA-N 449.599 4.583 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2nccs2)CC1 1507881513 VRXYZSLJYJSJBR-UHFFFAOYSA-N 429.977 4.853 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCSC2(C)C)CC1 1507897179 GIUGHKKQOXWJMY-IBGZPJMESA-N 442.629 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(F)F)C1 1507910894 GCIYBGBYFKIORH-QGZVFWFLSA-N 432.515 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1507918835 IKBACUVSCZVYFD-SFHVURJKSA-N 432.012 4.643 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1507925331 FOSRAGDVDYZRMP-JQVVWYNYSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1507929721 UPUCLTIKZUQDJD-HXUWFJFHSA-N 443.599 4.894 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC[C@H](Oc2ncccc2F)C1)c1ccccc1 1507930496 XNZOYBAMRDDHAB-SFTDATJTSA-N 435.547 4.782 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2cnn(C)c2)CC1 1507936793 GVDJBHONKJIBSE-FGZHOGPDSA-N 440.636 4.671 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCc2cccnc21 1507975647 SLWTZYQZORARPK-NRFANRHFSA-N 447.583 4.878 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1ccc(N2CCCCC2)nc1 1508007371 AQYXOOCFSMTUHU-UHFFFAOYSA-N 434.563 4.606 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](C)C1 1508024785 LKWXVNYCEHRWIR-HYBUGGRVSA-N 432.616 4.811 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1508050771 KSCQTFQOUGOQRF-RTWAWAEBSA-N 428.577 4.567 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC[C@H](C)C2)C1 1508118074 WHJPSBZYGHNMSC-LWYYNNOASA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(CCSC2)C1 1508167160 IQMBITYFEUKYEC-HSZRJFAPSA-N 444.670 4.672 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc1OC 1515088507 JIOBLAVDWBCBJL-JRVPOQSUSA-N 434.580 4.964 30 10 IJEE C=CCC(F)(F)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1524407948 BMRMWIOEYHLTFX-PXNSSMCTSA-N 447.453 4.777 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1OC 1524952480 MURJLSOUZXRBGZ-HLQAJDGWSA-N 428.326 4.708 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1C#N 1526341966 AIHKHGOCRRUULR-UHFFFAOYSA-N 426.538 4.704 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2ccc(Br)cc2)ns1 1527473041 NFTJJPQKSHTONT-UHFFFAOYSA-N 429.314 4.987 30 10 IJEE Cc1cc(CN(C)C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F 1527721564 GKTFUUJNZZAUJJ-OAQYLSRUSA-N 445.485 4.744 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc(Br)cc3ccccc23)c(OC)c1 1531563074 PIXVQRNRBIMFTD-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE C#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)c1ccc(Br)cc1 1535483699 QEUNGFQAXQRZDZ-KRWDZBQOSA-N 433.327 4.962 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCO[C@H](C)C1 1539094144 LWSQGEIAVAENBX-MOPGFXCFSA-N 430.980 4.717 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCCC[C@H](C)C1 1539530902 PCIVQFQZWGPLTP-SFHVURJKSA-N 430.643 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(OC)c1 1539636874 MKGGIQWINPYAIY-OFNKIYASSA-N 438.597 4.557 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCC(C)C)CC1 1539875026 NZFPHQSYCYTBFJ-RUZDIDTESA-N 442.604 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1539906828 UAYXGNOEFZVGGW-PKOBYXMFSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1539909984 RUEDIHVUIKYHRZ-SBUREZEXSA-N 430.980 4.585 30 10 IJEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1539971530 JKCAUBMHGQKMAD-OXJNMPFZSA-N 447.505 4.863 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1Cc1ncccc1N(C)C 1540119070 FJWHNWRGGJJNTF-UHFFFAOYSA-N 446.599 4.646 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC[C@H](OC)C(F)(F)F 1540127879 WJDOFIQASSDYMG-IBGZPJMESA-N 431.462 4.500 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC1(F)F 1540180854 XBFJYUBONHXPNO-OAQYLSRUSA-N 440.542 4.739 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1540818712 BKUAOCOPNRJKOC-GOSISDBHSA-N 442.903 4.720 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](C)C2)cn1 1541736676 GCGHFSNZLUSOIV-MOPGFXCFSA-N 430.556 4.530 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)Cc4ccc(C#N)cc4)n3CCC(C)(C)O)cc2C1 1543865260 BZWKOEADOAIOSC-KRWDZBQOSA-N 449.624 4.800 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)NCCc3ccccc3OC(F)(F)F)o2)cc1 1544417970 BOBNMLYBZCTPKB-UHFFFAOYSA-N 430.382 4.601 30 10 IJEE C[C@H](CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(=O)c1ccc(Cl)cc1 1546137832 GKKKLTFHKJORCD-CYBMUJFWSA-N 427.291 4.898 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccc(Cl)s2)cc1 1546190868 FQNIARSCNYZRJA-OAQYLSRUSA-N 429.952 4.907 30 10 IJEE C=CC(C)(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1558982134 VTHYNMYYNMJCRO-UHFFFAOYSA-N 427.353 4.736 30 10 IJEE C=CCSCCNC(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 1562799311 YBFWEHDRQLMSAO-UHFFFAOYSA-N 426.405 4.846 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(Cc1ccccc1Br)CC(C)C 1564066953 MVZXHEHUQNVJON-UHFFFAOYSA-N 429.358 4.829 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)s1 1566426121 HHLRYYUYHZCHST-QFBILLFUSA-N 440.009 4.539 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C1 1566816524 KQMIFDIUOZLGNZ-IBGZPJMESA-N 449.576 4.908 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC)C(C)(C)C)c1 1583810841 UUPAPGBUFQJYPF-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1F 1584733296 NGRKZUQTQOZMOT-MJGOQNOKSA-N 434.939 4.697 30 10 IJEE Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(Br)c1 1586652886 FLTVUFTWFKPJNC-POAQFYNOSA-N 427.342 4.823 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1587807442 DCCCPOZSFVSAMC-RTBURBONSA-N 428.552 4.755 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1587818452 WKKAIBCOUXNLDF-UYAOXDASSA-N 442.007 4.533 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC(F)(F)C1 1588084702 VAZQSYZUXQXQQX-PMACEKPBSA-N 426.511 4.543 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1588193535 HBHUXPYPJKPQFJ-XUZZJYLKSA-N 444.579 4.996 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1589582002 YDKSYDBSKKXRJB-FVJLSDCUSA-N 446.020 4.801 30 10 IJEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1593858444 HVSQLUOQRZZMHN-FQEVSTJZSA-N 446.382 4.640 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1595033801 QFGGEIFTRWCNPT-UONOGXRCSA-N 437.407 4.597 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1595075220 BACZXAKCWJRYMV-RTWAWAEBSA-N 437.632 4.867 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1Cc1nc(C)cs1 1595260578 JKBRPNKLIRZATK-UHFFFAOYSA-N 425.583 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(C)CCCS2)C1 1595745136 QCHYQJYSMNDOOI-QPPBQGQZSA-N 426.630 4.520 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)C 1618244135 FNHOCIAAQCMTSG-WDNCENIBSA-N 432.564 4.714 30 10 IJEE CCOC(=O)Nc1ccc(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)cc1C#N 1621243266 DMAVWEWYBPKWRM-UHFFFAOYSA-N 431.283 4.626 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cccc(SCCC)n2)nnc1-c1ccco1 1624017693 WXTDLZOQPYUONI-UHFFFAOYSA-N 429.571 4.742 30 10 IJEE C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)c1cccc(COc2ccccc2C#N)c1 1627424334 BRCQXAKJEZMIGX-ZWKOTPCHSA-N 437.540 4.559 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(C)cn2)nnc1-c1ccc(Cl)cc1Cl 1630946534 MQRSQAOAMIXQQQ-UHFFFAOYSA-N 448.379 4.550 30 10 IJEE C#CCN1CCC(C(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)CC1 1632099018 RDFISBIVLKRAKB-UHFFFAOYSA-N 448.311 4.755 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 1632474600 VGUYPSPAYCQBGY-GXTWGEPZSA-N 442.812 4.720 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(Cl)cc3F)C(C)C)ccc2c1=O 1632615592 NYYLZLDGANIHPB-IBGZPJMESA-N 445.947 4.791 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc21 1633236413 GNILQCUBUSHQJH-UHFFFAOYSA-N 429.520 4.785 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CSCc2ccc(Br)cc21 1636740279 AMCTZYCZPPOTGQ-IBGZPJMESA-N 433.346 4.721 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOc1ccccc1C(C)(C)C 1639755820 UDVAEWGZCYITEB-GOSISDBHSA-N 438.996 4.857 30 10 IJEE C#CCN(Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1)[C@@H]1CCCc2ccccc21 1644647543 PHVDIVMBLKNAFG-JOCHJYFZSA-N 430.577 4.866 30 10 IJEE C#C[C@](C)(CC)N[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)c1ccccc1 1645750781 ORDXSPKUCBCKKI-SQJMNOBHSA-N 438.593 4.875 30 10 IJEE C#CCOc1ccccc1NCc1cc(Br)c(OC)c(Br)c1 1656111087 SGDBQHRMELYBQN-UHFFFAOYSA-N 425.120 4.844 30 10 IJEE C=CCOc1c(Br)cc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1OCC 1656858264 YUGYOCWYDRDSPL-UHFFFAOYSA-N 446.341 4.920 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 1658423146 IVXUNKQBNONZEA-SFHVURJKSA-N 446.588 4.629 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1OC 1660819254 BHSFYTLWIGDCRN-QZTJIDSGSA-N 436.980 4.602 30 10 IJEE COc1ccc(Oc2ccc(CN[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2)cc1 1662198445 BGMCJKZUOAGFGY-RUZDIDTESA-N 427.504 4.644 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 1663085261 VYEQFYNYEOUUNM-BXUZGUMPSA-N 426.298 4.881 30 10 IJEE C[C@](NC(=O)NC[C@H](O)c1ccccc1C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F 1674811070 HNPRCFWPDHCWSD-RDJZCZTQSA-N 438.343 4.655 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1 1677817489 ZDBYINPBAINFJM-UHFFFAOYSA-N 441.531 4.705 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)c1ccc(F)c(F)c1 1680284298 LOQQRKXGIGKEQZ-ZFGGDYGUSA-N 425.523 4.746 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 1681648332 HPOGDEALQOACKH-XMMPIXPASA-N 444.510 4.981 30 10 IJEE CC1(C)CN(C(=O)NCc2ccc(C#N)c(F)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1682015446 FEXPHNXVJOYDCS-IBGZPJMESA-N 435.421 4.778 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccc(Cl)cc1F 1683688551 FLONTLKJRJAIED-GOSISDBHSA-N 439.687 4.823 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1689829119 VDNCRGFAQYFZPK-HZPDHXFCSA-N 441.576 4.817 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(C)(OC)C1 1689876882 LHCGQESMJIZHAJ-GOSISDBHSA-N 430.980 4.717 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1689895533 XJQASEOXVLWAJK-OAQYLSRUSA-N 426.992 4.579 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(F)(F)F)CC1 1690244179 URDYBUWPQIQJKK-ICSRJNTNSA-N 449.521 4.799 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)cc1 1690245153 DLAZIKCYTMRVKC-IEBWSBKVSA-N 431.378 4.536 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)N(CC)CC)CC1 1690369560 PBQFKRMBGXAWQR-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[C@H]2OC)CC1 1690399282 SBAZSOKYVRBXCB-FBBABVLZSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H](OC)C(F)(F)F)CC1 1690406645 NGELFKGZIQNSSK-QGZVFWFLSA-N 428.886 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCCOC1 1690437541 HHNYIGJSOCCSLA-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690494007 YZAWEFZEZBILOG-SFHVURJKSA-N 448.036 4.685 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1C[C@]1(N(C)C)CCSC1 1690567334 ABBLEAUIENVLMV-RUZDIDTESA-N 439.673 4.641 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1Cc1ccncc1Cl 1690571732 HLYMEUADNADQRB-HXUWFJFHSA-N 427.911 4.558 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCN1C1CC1 1690588548 ZTJAWVOYOYDEBT-FQEVSTJZSA-N 442.007 4.802 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](F)C1 1690603568 DULVHLFKNBOEEG-PKTZIBPZSA-N 436.579 4.513 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1csc(CC)n1 1690682026 BAEHZEMQZIYMHM-UHFFFAOYSA-N 434.569 4.542 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1695734625 AUSNZHPYGYKJNK-OAQYLSRUSA-N 434.613 4.808 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1705511970 LFPRBMYXYXOWMB-QFIPXVFZSA-N 449.002 4.508 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCN(CCC)CC1 1705517762 DKYFCGIDBVOIKR-UHFFFAOYSA-N 428.024 4.636 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705527174 SASJYEJGZUPZAR-HXUWFJFHSA-N 446.599 4.807 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCC1(COC)CCCC1 1705619638 XBUZOHZIBQLROE-UHFFFAOYSA-N 426.580 4.951 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(Br)s1 1705717698 PUJOSLFOKMEWDY-HNNXBMFYSA-N 439.423 4.641 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1705722019 PQDXHDUNYIVPJX-KRWDZBQOSA-N 445.995 4.916 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705731561 XBZJMVDJHPMQFV-FYYLOGMGSA-N 448.615 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NCCC)CC1 1705790174 LRCSQVOLZXPHNG-UHFFFAOYSA-N 444.023 4.943 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1705804205 SUQXJNPPLJZIIE-HXUWFJFHSA-N 435.547 4.878 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1705870815 YTSCXAPPNFWRIP-SIKLNZKXSA-N 438.563 4.713 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OC(C)C)nc1 1722347836 MUPVCHPOFHIIJA-UHFFFAOYSA-N 430.339 4.552 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)SC 1722517650 WJFDPOFOIQYRIO-CALCHBBNSA-N 437.654 4.593 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1722561688 VQRWNOSQKQGEOU-UHFFFAOYSA-N 439.604 4.967 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1OC 1722582931 NRRNEEGZHFKUJH-GOSISDBHSA-N 429.977 4.736 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)c1ccccc1 1722594837 RGJHRQYCFWWUMA-JTHBVZDNSA-N 434.588 4.556 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1722600372 NWIZGHDSUYWPKO-UHFFFAOYSA-N 442.995 4.805 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCCCCC1 1722665197 HILYRZGZAXAOKI-UHFFFAOYSA-N 432.572 4.599 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)C1 1722719956 CXLWDSNZMYRQQM-SJBKTWHCSA-N 444.645 4.553 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 1740572417 KSNAPKNKDMAYDQ-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740661469 CEKHHTJYAMMVDG-RLSLOFABSA-N 441.595 4.527 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1740818817 VTTYMDGQOPKCGT-HKBOAZHASA-N 441.595 4.834 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1740874999 NSTRJGYSPZTUKS-IAGOWNOFSA-N 438.601 4.671 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1740880173 WNZLYDYVNCAOMQ-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 1740887320 GAACYXIANSJUFZ-IBGZPJMESA-N 437.588 4.985 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(C)(F)F)c1)C1CC1 1740905772 HIYLFDCDCJDJCL-XMMPIXPASA-N 446.542 4.634 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1ccc(OC)nc1 1740921830 KOGUCMXJJZWBSR-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC[C@@](C)(O)c1ccccc1 1740921996 QGPXOWYSNJBRPK-RUZDIDTESA-N 445.592 4.892 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)nc1 1740922314 CFDLBVNDKSYKSU-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE CC(C)(C)[S@@](=O)CCn1c(C2CCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1741244000 FMTHOOYAXHGVOQ-HKBQPEDESA-N 439.629 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1749155752 KCMVAJCMROFENS-GOTSBHOMSA-N 425.621 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCC(C)(C)C1 1749166041 VRTITJTUTNHCCH-UHFFFAOYSA-N 439.648 4.998 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(OC)CCCC2)CC1 1749293093 AQHWALOODQUIGG-UHFFFAOYSA-N 437.407 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1749364063 LTSHMJZBKNZZSG-OALUTQOASA-N 448.615 4.760 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1749434043 FFXFCVOWNODUIH-GOSISDBHSA-N 427.622 4.631 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC(C)C)nc1)C1CC1 1749520838 AMHXVKCANOLRRT-UHFFFAOYSA-N 437.975 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1=CCCCC1 1749573075 KSGCZLQMHOTKBX-UHFFFAOYSA-N 444.583 4.915 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOC1CCCCCC1 1749573976 LPLNJRPMICNHDG-UHFFFAOYSA-N 448.571 4.512 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1749760109 BZBFXRNNXDTMPH-YADHBBJMSA-N 442.629 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCc1csc(C(C)(C)C)n1 1760117187 XIJCWFCOUNDWOY-HNNXBMFYSA-N 443.567 4.602 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(F)cc2C1 1760131271 XCHRDKIFMQBGOG-UHFFFAOYSA-N 442.336 4.541 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760347301 QAVIYRNNSNRTLR-IRLDBZIGSA-N 445.007 4.975 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1760396675 HTWUAQCVTWUBTM-CTNGQTDRSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCCCO2)CC1 1760399554 QQHOQBJRHPJPQX-NRFANRHFSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCN2CCC)CC1 1760406207 WIOPMVPSYLJZHU-YTFSRNRJSA-N 443.680 4.864 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1760418737 XHXTUYHJOOARDI-VXKWHMMOSA-N 439.604 4.782 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1760475690 QOSBBLXOJYIBBS-MBSDFSHPSA-N 442.579 4.992 30 10 IJEE C[C@@H]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)C1 1762792111 DWNXCEXYTRXABV-QUCCMNQESA-N 435.597 4.905 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2O[C@H](CC)C(C)=O)SC1=Nc1cccc(O)c1 1772762841 IMPDAKYQJWXKCS-FAZPEKFSSA-N 436.533 4.929 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(C)nc3ccc(Br)cc23)nc1C 1859644396 MWZNXOIQYKFLMJ-UHFFFAOYSA-N 446.326 4.666 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862476904 GFFZMOFOUQIRJO-JOCHJYFZSA-N 433.504 4.994 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862522474 JNEBSQDZOHCQGX-IBGZPJMESA-N 444.871 4.635 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2)cc1 1862534460 UHFHWODSLOWHNU-DEOSSOPVSA-N 427.500 4.906 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862593273 RBEYBYOAADRIAO-QHCPKHFHSA-N 442.515 4.863 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1F 1862641233 YAHIULJRYNYQAD-QFIPXVFZSA-N 436.483 4.940 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C)cc1 1862698218 DFVCWCOILKPWKI-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2ccccc2Cl)C1=O 1863447700 RHWQQBUYNGGKGJ-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE CC[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1866759231 XYPIAUJSLJVYKE-XMMPIXPASA-N 447.485 4.892 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1ccc(Cl)c(Cl)c1 1870146574 XNDXAIIZWJAOKA-JTQLQIEISA-N 436.686 4.505 30 10 IJEE Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871385459 UDSFFBNVTGRFDQ-AQDYPACCSA-N 426.424 4.959 30 10 IJEE C=CCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871659029 GGXGTOPQSHXKAI-WOJBJXKFSA-N 428.584 4.708 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871754222 QKDHVUSJXOPQQQ-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871894156 RPEKBXWLBQFSLF-JOCHJYFZSA-N 446.638 4.549 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1872224859 FXBUDVYFCDYCHH-OAQYLSRUSA-N 434.989 4.960 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccccc1 1872488422 NLWOXYFDKJOPRP-NRFANRHFSA-N 434.989 4.879 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c1 1872778071 CPHXRYIFYZNTTO-IBGZPJMESA-N 436.533 4.872 30 10 IJEE C[C@H]1CN(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C[C@@H](C)O1 1872800814 WKGBZXTZNSYTHS-UEXGIBASSA-N 431.561 4.763 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2-c2ccco2)ccc1OCc1cccc(Cl)c1 1873502346 HZCNDCKGNYTALJ-FSJBWODESA-N 440.912 4.950 30 10 IJEE C=CCn1c(C(=O)NCCCOC(C)C)cc2c(N(CCCC)CCCC)ncnc21 1873593435 PNLIDVGANZIVCG-UHFFFAOYSA-N 429.609 4.569 30 10 IJEE Cc1cc(NC(=O)CCc2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)ccc1C(C)C 1873914157 XWKUXIDBGNLWLM-UHFFFAOYSA-N 426.520 4.964 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccncc2)cc1C 1874452362 RGZISTRNDBUQBV-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE COCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(C(F)(F)F)cc1 1874472784 XFISWYCFYRWLIN-BRJLIKDPSA-N 438.450 4.799 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1nccs1 1874625098 LSFSVWZYPFLKEP-FARCUNLSSA-N 446.887 4.858 30 10 IJEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1874625341 YLTLZEOFFPKDCS-VZUCSPMQSA-N 445.406 4.858 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(F)c(F)c1 1874693064 LOKYHZAXEDOINM-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875097190 YUAUAKHGXDWYQP-FQTAANOTSA-N 436.504 4.563 30 10 IJEE CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H](c2ccc(F)cc2)C1 1891125580 WZYVCZIWEBPHHX-QGZVFWFLSA-N 434.355 4.992 30 10 IJEE C=CCC(CC=C)Nc1cc(I)cc(I)c1 1900973826 NZRRVCJBGWCEHX-UHFFFAOYSA-N 439.078 4.829 30 10 IJEE CC(C)(C)OC(=O)NCC1CC2(C1)CC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2000797105 SXTQAYKYSVIJJZ-UHFFFAOYSA-N 434.541 4.511 30 10 IJEE N#Cc1ccc(N2CCC23CCN(C(=O)OCc2ccccc2)CC3)c(Br)c1 2054429431 WDYSLMBREZVRQS-UHFFFAOYSA-N 440.341 4.702 30 10 IJEE CCc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1 2079080280 GZJQOQJBICXEIT-NIQDBXHUSA-N 435.309 4.735 30 10 IJEE COc1ccc([C@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1C 2080002593 ZUOVWWLBGLHDOK-LBPRGKRZSA-N 441.313 4.520 30 10 IJEE C[C@H]1C[C@H](CNc2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2115818073 IUNBUBWBEZTGBW-QWHCGFSZSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C(F)(F)CC1 2162330122 UUKYYVDIGTVAGT-ZDUSSCGKSA-N 448.283 4.907 30 10 IJEE C[C@@]1(C2CC2)CSC(=Nc2ccc(Br)cc2I)N1 2223678910 JKFBMXCZVYFGHO-ZDUSSCGKSA-N 437.144 4.546 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(F)(F)F 2229119658 XVRIAYXITQWKGW-HUUCEWRRSA-N 437.300 4.591 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CC[C@H]1CCN1C(=O)OC(C)(C)C 2235717056 IRNADWSIAGTAGA-OALUTQOASA-N 435.406 4.958 30 10 IJEE CN(C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 2243911064 NUMXPJIJMSKUDD-UHFFFAOYSA-N 439.515 4.838 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cccc(Br)c3Cl)c2F)OC1(C)C 2266056244 FMJPBRHLLNQVIB-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@@H](O)CC#CC1CCCC1 2289925516 VWEOYGMQTQBZDF-PMACEKPBSA-N 436.390 4.830 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296225752 YQJXPFYEHQKEKN-OTWHNJEPSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2ccc(Br)cc2)c2ccccc21 2296290077 YUQIHQSYHINDDW-MOPGFXCFSA-N 427.342 4.667 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C12CC(NC(=O)OC(C)(C)C)(C1)C2 2296290898 IPHQJBSTGIWNJO-XTWGIRIWSA-N 433.390 4.616 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ccoc1CNC(=O)OC(C)(C)C 2296291657 QYWMCLKPAVITLH-GOSISDBHSA-N 433.346 4.769 30 10 IJEE CCC[C@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317312798 MYYAWQIYILSAEA-GOSISDBHSA-N 431.386 4.832 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)C1 2321159494 QHRKULJJXWJWFS-UUOWRZLLSA-N 445.560 4.655 30 10 IJEE O=C(COc1ccccc1C=CC(=O)c1cccc(Br)c1)Nc1nccs1 2322457412 AJVUOYKRGXSVTA-UHFFFAOYSA-N 443.322 4.819 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2322799060 GGEGYRDCTUWUGW-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCCOc1c(Br)cc(C=NS(=O)(=O)c2cccs2)cc1OCC 2323439400 KSPJXVACYAPOJH-UHFFFAOYSA-N 432.361 4.506 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2323627858 FZGAYNCPMMQHSI-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC 2324245043 SIWLQQGSSRGFTB-UHFFFAOYSA-N 437.870 4.818 30 10 IJEE COc1cc(C(=O)C=Cc2cc(Cl)c(OCCCO)c(OC)c2)c(OC)cc1Cl 2324405524 KBZKREFIWIIDPL-UHFFFAOYSA-N 441.307 4.677 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)CCOc1ccccc1 2325746955 REXUCRVLFPLUAN-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2N=Cc2ccccc2Cl)cc1OC 2325885141 FHBFJQQURKJYFT-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2325906917 CBZONJFVGRXPAV-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(O)c(OC)c1 2327117275 QPMCFCZQBZQMCC-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(C)cc1 2330645657 GAVMDQMTELXMRF-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccccn1 2331079821 IEJWNCBBQSVIJI-UHFFFAOYSA-N 429.472 4.943 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(C)c2)cc1 2331184512 FVFYXIMZQDCFQU-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE Cc1cc(OCc2cc(I)ccc2Br)c(C#N)c(C)n1 2367517184 JDDSXYZJZFUJPM-UHFFFAOYSA-N 443.082 4.516 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369624377 GXTYHHZWAKXJDA-QEIWAGNOSA-N 446.444 4.579 30 10 IJEE COc1ccccc1CN/C(=N\C(=S)Nc1cc(C)cc(C)c1)Nc1nc(C)cc(C)n1 14156154 AIWYMOKTZUDWTH-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE O=C(/C=C1\S/C(=N/Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1 20509774 NBFICYHFIYDBMG-QRPQPOARSA-N 427.529 4.841 30 10 IJEE CCn1c([C@H](C#N)c2cnn(Cc3ccc(Cl)cc3)c(=O)c2Cl)nc2ccccc21 27643927 NSSUILDJKBIQLU-MRXNPFEDSA-N 438.318 4.623 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 34955444 DQDXAJFMOMVMCP-VGOFMYFVSA-N 448.471 4.836 30 10 IJEE C[C@H]1CN/C(=N\c2c(Br)cc(Br)cc2Br)S1 35286971 ATNLLWRFDLLLES-YFKPBYRVSA-N 428.975 4.687 30 10 IJEE Cc1oc(NC(=O)[C@@H](C)Oc2c(-c3ccccc3)oc3ccccc3c2=O)c(C#N)c1C 40167906 JNCYTGIEALTOBD-MRXNPFEDSA-N 428.444 4.948 30 10 IJEE C=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NCc2ccccc2)c1 66108083 OZVUVFOHODYUOU-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE CCOC(=O)c1c(NC(=O)CSCc2ccc(C#N)cc2)sc2c1CC[C@@H](C)C2 96549579 CGZLZJDKMAAIIL-CQSZACIVSA-N 428.579 4.793 30 10 IJEE CCn1ccc(C(=O)/C=C\c2ccc(OC)c(COc3ccc([N+](=O)[O-])cc3Cl)c2)n1 97414773 KHISWXOFIXUVGH-DAXSKMNVSA-N 441.871 4.948 30 10 IJEE O=C1/C(=N\NC(=S)Nc2ccccc2F)c2ccccc2N1Cc1cccc(Cl)c1 100492400 DKKJRZKCUUEAOO-QOMWVZHYSA-N 438.915 4.717 30 10 IJEE CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1cc(C(=O)OC)cc(C(=O)OC)c1 101764530 YGGVDHLBBHBBEH-JDZFCHDFSA-N 448.519 4.575 30 10 IJEE CC(C)(C)c1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 102904498 RFWDBCJGSVWHQQ-VZCCSQPZSA-N 437.496 4.601 30 10 IJEE N#C[C@@H](C1CCCCCC1)S(=O)(=O)c1cc(Br)ccc1Br 168021615 MWEFEZJKGHLTOY-HNNXBMFYSA-N 435.181 4.848 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccc(C)c2)cc1 169969092 CGWPVINTFDNTBZ-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OCC(C)C)c1 170040321 WDSPXNDOZNXTKY-OAQYLSRUSA-N 443.927 4.600 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2C)c1 170087213 TWYRQEJAOPPSFS-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1OC 170091641 KRULABMXFDEQON-QFIPXVFZSA-N 444.443 4.561 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)c1 170173439 FQLKFRLZIVTGRW-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccn1)c1cc2ccccc2o1 170176572 WWRWHPLZIBIOMX-OAQYLSRUSA-N 432.382 4.889 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc(OCC)c1 170217998 MZPCUFNOUSBYSZ-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCC2)c1 170218884 KJSWBSMPSAFFBG-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2)c1 170222274 HLHYBZSOCPJYEU-NRFANRHFSA-N 443.927 4.742 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)ccc1OC(C)C 170231053 GFFISBKJORYIJT-XMMPIXPASA-N 442.515 4.956 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)cc1OC 170269836 CMHIKGLOWCLUMQ-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2C)cc1C(C)C 170273557 IOQFJSMJAGSOCT-YADARESESA-N 449.547 4.884 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(C)o1 170300463 VPSRWMLRVIDRRH-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C\c2cccc(C)c2O)C1=O 206888291 LZXRUIDZWXFLHX-AQTBWJFISA-N 425.506 4.643 30 10 IJEE Cc1nc(NC(=O)C(C)C)nc(NC(=O)C(C)C)c1C#CC(C)(C)c1ccc(Cl)cc1 248021985 JEQWATKQLXERTP-UHFFFAOYSA-N 440.975 4.957 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccccc2F)/C1=C(O)\C=C/c1ccccc1 254799555 ZHRNKKDBIKBEBO-RTQZHYNWSA-N 443.430 4.706 30 10 IJEE N#Cc1cc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccc([N+](=O)[O-])cc12 301381960 UXHNYUYAPXTGII-UHFFFAOYSA-N 442.401 4.509 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460376893 QREMVQNBFKJHRL-HHHXNRCGSA-N 439.563 4.600 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460781070 DSFKPAIDUHYFOH-HYBUGGRVSA-N 448.567 4.895 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 488280642 QYQNSWJJRMDVME-UHFFFAOYSA-N 438.487 4.942 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 500411879 APMBCCJUNRRMRN-UHFFFAOYSA-N 449.941 4.749 30 10 IJEE CCCCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 504271137 MNUBULQALPTXLU-CTSZMKCTSA-N 430.585 4.552 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])o2)cc1 526484174 BKORCDAYWMXZKS-OAQYLSRUSA-N 431.404 4.515 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)cc2OC)c1 526606247 JTYIZFZQHAQMEM-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)c1OC 526607060 NANUJRQBXRIVGC-QFIPXVFZSA-N 430.435 4.772 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 549604107 REDSBNMJDDEHSH-IBGZPJMESA-N 448.596 4.725 30 10 IJEE C[C@@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@H](c2ccccc2)O1 557458024 PQVHEANCLUYWTK-WZONZLPQSA-N 437.971 4.807 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(C(F)(F)F)cc1 560998481 QQYOZOHJCFPPBP-IHPCNDPISA-N 440.506 4.580 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccccc2)cc1C 563470621 CLOZCEXLLKOBAT-UHFFFAOYSA-N 429.568 4.847 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(n2cc(Br)cn2)CC1 569593504 OATYVEGBQCGLMO-UHFFFAOYSA-N 445.365 4.532 30 10 IJEE CCc1c(NC(=O)NCc2ccc(C#N)cc2F)cnn1-c1cccc(C(F)(F)F)c1 616884251 GFSABTXSSYCTOF-UHFFFAOYSA-N 431.393 4.786 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2)cc1 698893440 VAMIFEPKVXGLGG-HSZRJFAPSA-N 431.533 4.730 30 10 IJEE CC(=O)c1ccc(N2CCC(OC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)cc1 732505201 RYQRMLSFBURKBN-UHFFFAOYSA-N 441.487 4.774 30 10 IJEE CC[C@H](C)Sc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C(F)(F)F)c1 732698942 PJXQMKPYHKCMKS-ZFWWWQNUSA-N 426.508 4.800 30 10 IJEE CCOC(=O)c1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C)cc2)cc1 783956992 CMMAJTSOQJOIEM-UHFFFAOYSA-O 444.536 4.654 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 796849905 JADILIMIRFWYBM-HKUYNNGSSA-N 430.545 4.670 30 10 IJEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccs1)[C@H]1CCc2ccccc21 812362268 UAOCXEHOTKOLDE-QHCPKHFHSA-N 425.561 4.501 30 10 IJEE CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1 1124671062 FIMWQRMICIKOJI-IERDGZPVSA-N 430.335 4.731 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)cc1 1125250933 ZGTZZDBGLBNFEO-UHFFFAOYSA-N 429.904 4.855 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)c2C#N)[C@@H](C)C1 1129334048 GDLVDMSTUMKSSD-HOTGVXAUSA-N 434.565 4.661 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(Br)c(C)c2)CCCN1C(=O)OC(C)(C)C 1129650719 IYZQQGJFFVNPLA-OAQYLSRUSA-N 437.378 4.720 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 1129784308 KACNAOWUZXSSIH-QHCPKHFHSA-N 448.588 4.819 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3cnc(-c4ccccc4Cl)s3)c2C#N)C1 1131405312 BZSBTSAGTRKUIA-UHFFFAOYSA-N 442.953 4.554 30 10 IJEE C=CCCn1cc(C(=O)O[C@@H](c2ccc(Br)c(Cl)c2)C(F)(F)F)nn1 1132592135 FUKJYZVMTBUNHE-ZDUSSCGKSA-N 438.631 4.731 30 10 IJEE CCN(C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)[C@@H](C)c1ccc(C#N)cc1 1136395141 AGPXIUNTSQFJOO-HNNXBMFYSA-N 428.558 4.904 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1138634067 SEKWNCFYZOEWIY-VWLOTQADSA-N 444.522 4.764 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(Br)cc2C1 1140602342 VEGDGZUNWSAWRC-SFHVURJKSA-N 437.378 4.583 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)c1ccccc1 1149768736 UHCHGCUMZOZPIG-QFBILLFUSA-N 429.358 4.566 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)cc1 1201116130 JKDVYBSTYZWWSS-UHFFFAOYSA-N 434.517 4.576 30 10 IJEE O=C(NC[C@@H](CO)c1ccc(F)cc1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1203660202 DETZZIXDGCJWBE-BLLLJJGKSA-N 438.343 4.523 30 10 IJEE C#CCN(C(=O)N[C@H](CC)Cc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1221962004 QJKRGMFJTOWEKR-HXUWFJFHSA-N 448.007 4.705 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(I)c(C)c1 1247309164 QOSNRAPTWFIDRL-SFHVURJKSA-N 434.321 4.586 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 1251218472 DCODHAIFLYAWFS-BEFAXECRSA-N 427.358 4.737 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCCC[C@@H]1C 1286281596 IJZOWTGYGUEKPM-ROUUACIJSA-N 431.987 4.850 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC1CCCC1 1286282001 KGQXTTQZNIDHCH-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(C)cc1OCC(F)(F)F 1286306259 ZJRJLDIEGWKKSF-KRWDZBQOSA-N 434.506 4.767 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286356949 OYLLBLBIRLVAIJ-PKTZIBPZSA-N 436.600 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1286441279 UQANHBNSAPSAEG-UHFFFAOYSA-N 436.991 4.778 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCCN(C)CC(F)(F)F 1286519605 YMEWNLQDWXLJBD-NZQKXSOJSA-N 447.549 4.696 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC2(SC)CC2)CC1 1286665765 NYJRQZWMTWUDEA-UHFFFAOYSA-N 430.643 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCSC(C)(C)C1 1286676806 RLDDMHYSJIAREH-UHFFFAOYSA-N 430.618 4.800 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286679141 KUZQDWQLZZESLT-SFTDATJTSA-N 437.588 4.619 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1 1287305894 BCGQEOFWVLUCOT-VXKWHMMOSA-N 435.597 4.966 30 10 IJEE CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c1 1287318687 CTZZUADONQTHMM-VWLOTQADSA-N 436.604 4.640 30 10 IJEE C[C@H]1C[C@H](CCn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)CCO1 1291016086 AMDIBPXZKWNESX-ZWKOTPCHSA-N 427.980 4.934 30 10 IJEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)Cc1ccco1 1293804119 AXAMWEPXMZXYJN-VWLOTQADSA-N 445.523 4.761 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)c1 1295772149 JYCQRMAWNRUMMA-HXUWFJFHSA-N 447.556 4.554 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccc(Br)cc1 1298539449 SGWGYHQVSJAWBU-OAQYLSRUSA-N 436.280 4.924 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)c1C#N 1298925598 HRBRNSUNMZQGOT-IBGZPJMESA-N 434.609 4.585 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1ccsc1 1300286214 GFLYIQMXDZKOOL-RBZFPXEDSA-N 435.380 4.679 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(Cl)cc2C1 1300428922 UGRLFYGTFCUHOM-NHCUHLMSSA-N 426.992 4.826 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCOC[C@@H]1C 1300603901 YQRMSWNQONFOBS-FXAWDEMLSA-N 435.597 4.509 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1300742283 DCTZGADLYRCEED-OAHLLOKOSA-N 428.508 4.615 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC[C@@H](COC)C1 1300742310 DUFCTHAINSZSDF-HXUWFJFHSA-N 440.657 4.862 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1300815998 FKXLXDWULWAOLM-JKFKMHIGSA-N 442.991 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OCC)C1 1300873411 GADGVXUFECVQHZ-BLIXFSHQSA-N 448.970 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1scnc1C 1300904600 BJANTIDANUEONQ-UHFFFAOYSA-N 433.528 4.957 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1CSC 1300939582 ZDLJGEUOKJLIAS-CQSZACIVSA-N 425.371 4.755 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1300972667 OMGIFRKBGQQXIG-BBTUJRGHSA-N 448.995 4.525 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1300974214 GCBQJBCELXMKAN-TZIWHRDSSA-N 434.588 4.943 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN(CC)C2CC2)CC1 1301092013 QTNKVPSEZQTBJH-UHFFFAOYSA-N 437.632 4.930 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC2(CCCC2)C1 1301241776 WZWAVCMUWWHOGM-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)nc1 1301350155 WUYOJRCPTBMSHZ-UHFFFAOYSA-N 430.943 4.553 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1301615539 OHUDOLVPEDHERV-UHFFFAOYSA-N 449.624 4.539 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1Br 1307112553 GEZMDGPBALMZRK-INIZCTEOSA-N 446.320 4.603 30 10 IJEE C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 1310171172 AUZCUSDEELVUKS-OKRNOHDPSA-N 431.945 4.815 30 10 IJEE Cc1cccc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1OCc1ccccc1 1311238981 DVDINVADMAGREN-UHFFFAOYSA-N 441.535 4.631 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1)c1ccccc1 1312334732 SMQJQEXBJUXMHT-DENIHFKCSA-N 445.401 4.915 30 10 IJEE C=CCN(C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)c1nc(-c2ccccc2)cs1 1351451446 RQRWGFATTMEVKL-LJQANCHMSA-N 425.460 4.801 30 10 IJEE Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n2)cc1C 1353857375 GXZYHKRBJMCJDV-GOSISDBHSA-N 430.533 4.599 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2c(C)cccc2Cl)c(C(=O)OCC)c1C 1355007601 FLDNITBBBHDUAU-UHFFFAOYSA-N 435.929 4.719 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2(CC)CCC2)ccc1Cl 1355423075 HUXZJFYXKJMEGJ-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1 1357220724 TVTGMSYHBIOPKH-HKUYNNGSSA-N 427.342 4.626 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCC1CCN(CC(F)(F)F)CC1 1358939555 YXCGDOKECCSZGQ-OAQYLSRUSA-N 447.549 4.554 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccsc1 1358970722 WBHLDUPYKQRFRV-UHFFFAOYSA-N 425.561 4.535 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2sccc2[C@H]1CC 1359052647 LTOSBDGXZNOBDC-QGZVFWFLSA-N 444.029 4.935 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1359129079 QHBJFIQNPKOSSD-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(OCCC)nc2)CC1 1359165934 ABGLSTUFGXTLNI-UHFFFAOYSA-N 437.975 4.911 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1359168767 IIPZVGPTCKMISH-QGZVFWFLSA-N 448.036 4.685 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1359173348 DCZTVYOQHHVIFZ-INZIPBBXSA-N 448.608 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1359185344 SXFUPQKQJJMVGQ-SSEXGKCCSA-N 426.586 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359190947 IRVXJWZXNXPAFV-UHFFFAOYSA-N 448.537 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1359191929 QAABPNTWYDIOBK-JOCHJYFZSA-N 442.579 4.994 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cnccn1 1359198815 BVTOIUYYOBFNTK-UHFFFAOYSA-N 445.340 4.629 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1359222546 LEJMOJFAULDCFR-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CCCCn1cc(Br)cn1 1359236396 JYOXMAPOEFKZFK-UHFFFAOYSA-N 449.784 4.660 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1ccco1)N1CCCCC1 1359244096 QNGOOVDITGYPHD-HSZRJFAPSA-N 449.599 4.916 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2(COC)CCCC2)C1 1359318203 YTKSCGUORLZGTE-LJQANCHMSA-N 445.007 4.977 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1 1442106112 PELYBEWSKKNYNP-HSZRJFAPSA-N 436.552 4.531 30 10 IJEE CCN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)[C@H]1CCN(c2ccccc2)C1=O 1456101363 FRFITABTHMFEFI-DEOSSOPVSA-N 439.515 4.927 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1)c1ccccc1 1456316789 GHCLLZNNECAKPV-RDGATRHJSA-N 434.580 4.573 30 10 IJEE C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C(=O)N1c1ccccc1 1456971701 GGCPDGARAHEYRF-KKSFZXQISA-N 445.906 4.928 30 10 IJEE C=CCn1c(SCC(=O)Cc2ccccc2Cl)nc2sc3c(c2c1=O)CCC3 1458828172 ZNMRIXJAAOZMEH-UHFFFAOYSA-N 430.982 4.690 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)C1 1466610679 FQSCCFZQZAJALT-UHFFFAOYSA-N 442.560 4.600 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 1468508530 FAMNVNZOZUKDPW-DQEYMECFSA-N 433.596 4.658 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1470667832 TULANUAYNYJYHA-AUSIDOKSSA-N 449.954 4.729 30 10 IJEE C=CCn1c(SC/C(C)=C/C(=O)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1472922589 SHTBLJFITGSMMV-ACCUITESSA-N 444.553 4.970 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 1473140817 KAZUMGZONAGIFX-GFCCVEGCSA-N 427.264 4.882 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCN(c3ccsc3C#N)CC2)n(Cc2ccccc2)n1 1475852863 ANJKLNIZHZMNOR-UHFFFAOYSA-N 448.596 4.516 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CCCC1 1475856892 ZMCMLSOHUBQBSW-UHFFFAOYSA-N 427.570 4.518 30 10 IJEE COC(=O)[C@@]1(C)CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1476099007 DOTPFZYUMDGMPL-QHCPKHFHSA-N 441.915 4.598 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(OC(F)(F)F)c(Cl)c3)CCO2)c1 1476786490 IBYCEHROUJZSEP-QGZVFWFLSA-N 425.794 4.716 30 10 IJEE C=CC1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CC1 1478680240 UUZXKVDCAFVLEM-IFMALSPDSA-N 445.579 4.774 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1478966228 VNZMHSUWVBHHBN-HGIWEUDGSA-N 445.579 4.963 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCC1 1507519135 YDBJJEFYPQYFNQ-UXHICEINSA-N 444.023 4.632 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cc(Cl)ccn1 1507563257 SYLWRJNHOIPGNG-UHFFFAOYSA-N 430.943 4.982 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](SC)C(C)(C)C 1507641960 FZAHGRIZHMYVTI-IFMALSPDSA-N 438.641 4.885 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](OC)C(C)(C)C 1507663043 QWJBPKLCYZUBGA-GCJKJVERSA-N 438.641 4.655 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1507685958 YSWAMCABEAFXBV-FQEVSTJZSA-N 430.618 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@@H]1CCCCO1 1507763972 IBAWRKDYZDQRNE-VAXXYWNWSA-N 426.536 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@@](=O)CC 1507819531 RBVCIQPOBQZWRC-NDEPHWFRSA-N 437.034 4.984 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cccs1 1507847858 MDGJUBDDYWNWIQ-FQEVSTJZSA-N 442.560 4.992 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1507914714 NVCKYCANNDXVQU-UHFFFAOYSA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN(CC(C)C)C1 1507970770 OHVOQCHKINGPFR-PMACEKPBSA-N 429.584 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc([C@H](C)O)cc1 1508006677 JSAXFUINEKLURF-SFHVURJKSA-N 431.565 4.696 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1sc(C)nc1C 1508024959 ODRXZIRBSXVODZ-UHFFFAOYSA-N 444.608 4.621 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@@H](OC)C(C)(C)C 1508026884 JGVGWEUYOJBOBZ-OAQYLSRUSA-N 426.536 4.973 30 10 IJEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1514260501 DSTSUVNDXFUOSA-OAQYLSRUSA-N 429.977 4.719 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(I)c(Cl)c1 1519428836 AJZMCOCUDJTSQN-UHFFFAOYSA-N 436.680 4.645 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](SC)c2ccccc2)c(C(=O)OCC)c1C 1524507751 COKUOVYFSIOCEG-QGZVFWFLSA-N 433.551 4.619 30 10 IJEE COc1ccc2cc([C@H](C)C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)ccc2c1 1524577079 GFZPREHZGINJHD-KRWDZBQOSA-N 433.939 4.826 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)CCCC1(C)C 1524687763 AZYWAFJFSOCMRF-KNQAVFIVSA-N 432.630 4.765 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(Br)cc1 1528087324 BQOQCVSPLNPRPX-IBGZPJMESA-N 425.257 4.880 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Cl)ccc1OCCOC 1528415637 HVOFXKAIAZYLDZ-UHFFFAOYSA-N 440.721 4.945 30 10 IJEE C#CCN(C(=O)CCCOc1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1529627032 JDCSFFADROYXOW-FQEVSTJZSA-N 446.316 4.733 30 10 IJEE COC(C)(C)c1nsc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 1531531440 DCFYOBFQSDGOGW-UHFFFAOYSA-N 428.901 4.989 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(COc3cccc(C(C)=O)c3)on2)C(F)(F)F)cc1 1532570109 JQDJMEKVPFVING-NRFANRHFSA-N 443.377 4.898 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1 1532874473 APQLTNYRYDJUQJ-HXUWFJFHSA-N 442.544 4.595 30 10 IJEE Cc1nsc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)c1C#N 1534654260 FDGBGHFTELLHOD-UHFFFAOYSA-N 428.970 4.668 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccnc(N2CC[C@H](C)C2)c1 1536695440 VQNYHGFHODOMNF-HNNXBMFYSA-N 432.337 4.658 30 10 IJEE CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1F 1538176569 AVVVFQKQBOMCBN-QKKBWIMNSA-N 448.325 4.871 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[C@@H](C)N1CCCCC1 1539036151 YSHJHUZDUPMRHJ-NHCUHLMSSA-N 425.646 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCc1sc(C)nc1C 1539036222 ZDELWHRLBZSQLO-INIZCTEOSA-N 425.627 4.653 30 10 IJEE C=CCOc1ccc(OC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 1539140273 BXZCDNQTXHDINR-XMHGGMMESA-N 443.521 4.587 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCCC1(C)C 1539345066 PGNWDLGRLPRVPA-HHHXNRCGSA-N 445.611 4.753 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C(CC)CC)N(C)C 1539350872 BUUCGBQBHPIXHR-HXUWFJFHSA-N 446.437 4.534 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1539525880 DNFKKHTZVHRCQO-NRFANRHFSA-N 438.641 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1539909573 NYJFUYKBXRARTQ-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cscc1C(F)(F)F 1540059052 MDOWRSMNVQEZBY-UHFFFAOYSA-N 438.475 4.713 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)C(C)C 1540150941 APBWJMCEHVAPIR-SGNDLWITSA-N 441.664 4.640 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)s1 1540350172 DPQNURCLRGAQHJ-INIZCTEOSA-N 444.453 4.911 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](OC)[C@H](C)CC)C1 1540887114 QDYDDZJJWDSFSK-MDYRTPRTSA-N 436.959 4.580 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2C(F)(F)F)C1 1540893443 DAYWTFKUPJNEQC-SFHVURJKSA-N 448.514 4.779 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 1557475403 QUFXAWWZLGNKNT-DENIHFKCSA-N 426.582 4.969 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1Br 1561484968 FYSUAFYLRJDKQI-UHFFFAOYSA-N 430.751 4.801 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1562692225 ZURGMRYQJKVYBX-HXUWFJFHSA-N 442.357 4.803 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 1564179323 JIYMKPWDWGWYCE-XMMPIXPASA-N 434.923 4.927 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 1565277774 XPSIPTFSMCXPEV-VQTJNVASSA-N 439.522 4.916 30 10 IJEE C=CCN(C(=O)c1ccc(SC(F)(F)F)o1)[C@H](Cc1ccccc1)C(=O)OCC 1567605791 JKCWDZZNXLLWPT-OAHLLOKOSA-N 427.444 4.694 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](c2ccncc2)C2CC2)nnc1-c1ccc(Cl)cc1 1586015689 MTAPFRMDGTVPMZ-HXUWFJFHSA-N 439.972 4.539 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2(C)CC=CC2)ccc1Cl 1586294213 LJFGOIKDTYHPAC-UHFFFAOYSA-N 430.957 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1scnc1C 1587569560 ZBVNQGVMYYXYEW-OAHLLOKOSA-N 448.621 4.843 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C(C)C)CC1 1589037304 XMZAPNMGRDTUTL-UHFFFAOYSA-N 442.629 4.591 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C#N)CC1 1589503474 DMBCRJBLNRPNMO-GGAORHGYSA-N 433.600 4.964 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC(C)(C)C1 1589558494 LDJDXBXKNQOQFX-QPPBQGQZSA-N 438.616 4.680 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1594615579 KDMGARIZRBLPHZ-DEOSSOPVSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1nnc(CC)s1 1595161759 KZUHIDXNGJWZRA-UHFFFAOYSA-N 442.639 4.647 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCO[C@H](c2ccccc2Cl)C1)C(C)C 1595166828 YUHQHYAANURHDC-PKTZIBPZSA-N 444.023 4.516 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1595335501 SFHNPBZANPWIPV-MRXNPFEDSA-N 437.569 4.905 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1 1595845656 YGTYXYYUWQQJOT-ZJSXRUAMSA-N 426.630 4.746 30 10 IJEE Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nccs1 1611871675 HFYGGYWLRBYRQB-INIZCTEOSA-N 448.552 4.527 30 10 IJEE C=CC[C@H]1N(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CCCC1(C)C 1617603625 AMNXWXFAKWOFGF-JOCHJYFZSA-N 444.572 4.664 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@@H](F)C1 1619899718 GAOVNIZFAUPQBF-NHCUHLMSSA-N 427.568 4.530 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C=CCC1 1628774118 QTAPIRZRSHQRGZ-UZUQRXQVSA-N 436.939 4.871 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(Br)c1 1629723610 VAILKFVMMZXJOC-QGZVFWFLSA-N 425.367 4.657 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 1630531154 FBSXSOGAPBGZRK-UHFFFAOYSA-N 434.883 4.794 30 10 IJEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 1631166303 GQGDMXZTGYDACB-KDYSTLNUSA-N 439.559 4.778 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)C1 1632364402 OEIBIOKKIIHHKB-JTSKRJEESA-N 447.000 4.831 30 10 IJEE COC(=O)c1cnc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 1634169633 HXNHKMVCXQWNJI-CABCVRRESA-N 434.521 4.590 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1OCc1ccccc1 1634459696 PKNJGUICJMHLPX-NRFANRHFSA-N 438.524 4.519 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC[C@@H]1Cc1ccccc1 1637150330 LYZIFROIMLOUTR-PKTZIBPZSA-N 432.564 4.884 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)nnc1-c1ccc(Cl)cc1 1638604537 BIEHRRDDVPQAIV-PGRDOPGGSA-N 442.947 4.630 30 10 IJEE C=CCCC1(CNC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CCCC1 1641356239 AVNXZFYHLGLTKZ-HSZRJFAPSA-N 442.625 4.786 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C12CCC2 1643983484 GATRPAAXJVDGOD-FCHUYYIVSA-N 447.535 4.916 30 10 IJEE C#CCN(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454520 KFCOORIXQZWBHG-UHFFFAOYSA-N 444.881 4.834 30 10 IJEE CCOC[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1646112562 HPOIVCLYJDGHFY-QZTJIDSGSA-N 431.646 4.990 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc1OC 1647743109 LYNNWKUUESENEQ-XPZBXCHESA-N 429.944 4.801 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2(C)C)c1 1648050398 STRCIJHIWCRWBG-FQEVSTJZSA-N 443.469 4.603 30 10 IJEE C=CCn1c(SC[C@H]2CCN(C)C2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1651573152 CUIVFRGBLFGATH-WBVHZDCISA-N 444.670 4.914 30 10 IJEE C#C[C@@H]1CCCCN1CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 1656426688 RUYLGAWZXFZOKE-JOCHJYFZSA-N 433.552 4.970 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 1658661183 HMRZLZSAGLSVMB-UHFFFAOYSA-N 428.536 4.784 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1OC 1660030136 JNOAKCZXSXTPIX-YADHBBJMSA-N 426.988 4.867 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)cc(Br)c1 1663084265 HRMNLHUOAZFMEE-ABAIWWIYSA-N 437.197 4.625 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c(Cl)c1 1664985332 HOQBBAFTNGWKLP-UHFFFAOYSA-N 431.964 4.965 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 1668019477 YIJFMMIALRRUQU-UHFFFAOYSA-N 435.952 4.840 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)CCCCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1671486540 MIHWRDNPNSTGBW-UHFFFAOYSA-N 425.573 4.822 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CCOc1ccccc1OC 1672708164 FRUZQJUQNAZGPD-UHFFFAOYSA-N 435.318 4.565 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 1673819501 GTMMQSKTESNRCF-UHFFFAOYSA-N 430.961 4.949 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 1678569635 YPOITQWJSQRZDS-RTWAWAEBSA-N 432.973 4.654 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)c1ccc(Br)cc1 1679847131 QZBDQIMBEIAYLA-DYESRHJHSA-N 427.342 4.551 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1 1683677029 ZXXMQVPUAQFGNY-YKSBVNFPSA-N 445.991 4.837 30 10 IJEE C=CCCCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1686184159 BXNOCCJPCVMTBC-ICSRJNTNSA-N 449.567 4.583 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C(F)(F)F)CC1 1689914888 IFHFPZWCCIUOME-UHFFFAOYSA-N 441.295 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccsc1 1690195128 FBENFVXSXYJCRH-JOCHJYFZSA-N 428.508 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCC1CC1 1690198412 NGWXJLRMRCZJFP-OAQYLSRUSA-N 429.362 4.508 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H]2CCC[C@H]21 1690223142 GHLWMXGKXLMBOE-IAGOWNOFSA-N 447.377 4.640 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1690228727 DMIBPFAMJKLJHS-UHFFFAOYSA-N 426.362 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(Cl)c1 1690242793 CNVMSHRBQNVZEG-KNQAVFIVSA-N 437.975 4.920 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@@H](COC)C1 1690306321 TUCQNHMOJHXBEN-QGZVFWFLSA-N 436.959 4.583 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(F)(F)Br)CC1 1690404640 LXKMXMBDWRJYNU-UHFFFAOYSA-N 425.321 4.898 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1690477527 AIAUFJWSRGNBQU-UHFFFAOYSA-N 444.583 4.778 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690478081 MVUZWKQNQAJKFU-MSOLQXFVSA-N 443.567 4.790 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1csc2ccccc12 1690517699 LFOBOCRHHNYEKM-UHFFFAOYSA-N 442.386 4.931 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCc1csc(C(C)C)n1)C1CC1 1690548873 REBKYIUXOQXAIH-UHFFFAOYSA-N 428.631 4.611 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1705519377 IPVQLJIUEJEXFL-REWPJTCUSA-N 434.609 4.895 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CC(C)(C)OC(C)(C)C1 1705528411 FMHNEQIMSDDRCF-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C(F)(F)F)CC1 1705529016 AKBIBOVMGADLNT-UHFFFAOYSA-N 436.478 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCSC 1705591029 DCPRTFDSKYVFJZ-SFHVURJKSA-N 426.655 4.738 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N1CCC(C)CC1 1705668400 LBMFDYJEQWHZDW-LSCGWGKXSA-N 433.644 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCCC[C@@H](COC)C1 1705701374 BHGDTIINHVBJAH-DXIQSLLYSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ncc(CC)s1 1705707903 UKGYKOYBVONLAQ-UHFFFAOYSA-N 438.601 4.617 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705723045 WPBALRZMERSKED-UHFFFAOYSA-N 441.988 4.507 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc2ccccc2o1 1705800034 MSMVNFHAMRFITC-UHFFFAOYSA-N 430.512 4.664 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1Cc1cccnc1OCC 1705861206 XHFCANZOVGOKOT-UHFFFAOYSA-N 444.583 4.773 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705892205 LMZBKNJZONRACN-OAQYLSRUSA-N 437.632 4.786 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Cc2cccs2)C1 1705927281 UXSTUNLGORCBRR-MJGOQNOKSA-N 428.627 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1nc(C)cs1 1722275734 BDEVVGUVEODSNP-HIFRSBDPSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1722313529 AFHJECVIIKOSHX-MJGOQNOKSA-N 445.405 4.823 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OCC2CC2)C1 1722329527 BOVRFWZQRPDWHB-SFHVURJKSA-N 443.389 4.516 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@@H](F)C1 1722379972 SNFMNWXUCMAMLC-GOEBONIOSA-N 449.755 4.572 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C1CCCCC1)N(C)C 1722416359 LKTCEPJFXWKCFW-HSZRJFAPSA-N 439.673 4.849 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccco1)C(C)C 1722528434 GIVXKRCACXRMQS-UHFFFAOYSA-N 448.365 4.636 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N(C)C2CC2)CC1 1722574391 LRARFRYPXWNILW-ROUUACIJSA-N 444.023 4.957 30 10 IJEE C=CC[C@H](Cn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1C(C)(C)C)c1ccccc1 1722597593 UYXUDMCKHQQVCH-DDRJZQQSSA-N 437.632 4.819 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1722613132 UELYASYIAZTHCB-WIYYLYMNSA-N 439.604 4.823 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cscc1C 1722661779 RJZAHRNOYLUCKC-JOCHJYFZSA-N 444.626 4.603 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(C(C)C)CC2)cc1 1722705008 RTQDAYBLMSMDML-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1722732879 RNDLDJCFJPKIJF-SFTDATJTSA-N 427.662 4.812 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCOC1CCCCCC1 1740541674 FBDNDRWWVYEKPE-KRWDZBQOSA-N 430.980 4.804 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(N(C)C)CCCC1 1740543356 NLCXVWFYKNGFTE-NRFANRHFSA-N 437.632 4.702 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740552949 SOYLYAVOFMPRNO-SYYKKAFVSA-N 438.616 4.565 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1740565959 AKGUFARGDQIGKM-FDDCHVKYSA-N 443.954 4.934 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC=C(C)C 1740650774 NGKPCRPZWRHTPD-UHFFFAOYSA-N 441.373 4.535 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1C1CCC1 1740745728 CETRJRWCPJZIIA-SFHVURJKSA-N 437.332 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1sc(C)nc1C 1740768685 BCVMHIPDXOGSQX-UHFFFAOYSA-N 426.546 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1 1740777363 WPWCLGFQNUDHCO-FQEVSTJZSA-N 425.577 4.801 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCCCCCC1 1740797725 UCKBYIJNLWBIHG-UHFFFAOYSA-N 430.618 4.942 30 10 IJEE C=C(Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC=CCC1)c1ccccc1 1740798499 KVFHVLVWQWDMCY-UHFFFAOYSA-N 449.599 4.872 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H](OC)C(F)(F)F)CC1 1740842453 AHTLDWMNCZOZKS-FGTMMUONSA-N 444.542 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740843980 AOILBMXDFUYACU-HXUWFJFHSA-N 439.560 4.709 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1cccc(O)c1 1740871250 VRNJMVBDZULLAE-HNNXBMFYSA-N 444.377 4.915 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1740917894 APEBWMFTDOGGGK-GOTSBHOMSA-N 444.627 4.901 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@H](F)C1 1740932859 XLTGRJSRHBJFJW-VAMGGRTRSA-N 447.599 4.709 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740946915 JSCVMZUOJJGFRZ-YSIASYRMSA-N 429.609 4.594 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)CC1CC(F)(F)C1 1740998751 QJOHKJQXZXICCX-UHFFFAOYSA-N 429.540 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1nccs1 1748641402 GOVZLIPOPQDQLI-HRCADAONSA-N 429.977 4.790 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(OCC)c1 1748833479 SCMAXGXXRYRHNG-LJQANCHMSA-N 444.604 4.651 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H](C)C1CCC1)c1ccccc1 1749242779 SERWPCAZPAWYMH-IBGZPJMESA-N 430.556 4.654 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCOCC1CC1 1749253808 XNMXYQZECNNDNU-UHFFFAOYSA-N 439.991 4.968 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCCCC1 1749268657 DZPFCPYVPHFTEN-UHFFFAOYSA-N 438.016 4.914 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCC[C@@H]2C)CC1 1749312273 HUWPSJKGKYPALW-NRFANRHFSA-N 437.632 4.795 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nc(C(C)C)cs2)CC1 1749345487 JXMQTDQITVJELQ-UHFFFAOYSA-N 428.631 4.664 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](OCc2ccccc2)C1 1749371098 YKZOECOCAIDXIL-QHCPKHFHSA-N 431.584 4.662 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 1749384942 JUIFQNBCPHBWMJ-QFIPXVFZSA-N 443.586 4.758 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCOC[C@H]1C 1749499293 TWOWHAUGORBYCN-MOPGFXCFSA-N 432.996 4.546 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCC(=O)NC(C)(C)C 1749547339 OOTXEDMEIGOLQH-UHFFFAOYSA-N 427.568 4.572 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1749591243 OQUYXXBIHGZLCS-WIOPSUGQSA-N 426.605 4.900 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](C)C1 1749744492 LCWKUDQQCNDXJP-WSTZPKSXSA-N 430.618 4.568 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)c2nccs2)cc1 1751585231 AVFPYEJFFNLQBB-IIBYNOLFSA-N 442.589 4.581 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2CCO[C@@H](C)C2)cc1 1751585700 HBGWVODPNHPQKO-YYDVJCTNSA-N 443.592 4.526 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OC(C)(C)C)CC1 1760146105 BYGKMGWLMGSYEM-UHFFFAOYSA-N 431.584 4.999 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1ncc(C)s1 1760196617 KKGSYLBTYFXBOM-KRWDZBQOSA-N 449.649 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO[C@H]1C(C)C 1760296306 PWGQYHBTWGMAPV-FMNCTDSISA-N 442.554 4.590 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(CC)C1 1760373077 GLEITPCDSTTYGR-HSZRJFAPSA-N 440.979 4.615 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1760392181 HMBLSZUBPRMBTR-QFIPXVFZSA-N 444.988 4.636 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H](C)CC(N)=O 1760407080 TXYYPQXGPPOGLM-SFHVURJKSA-N 448.615 4.655 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1760427085 OFTXFHBDDKVTIE-FQEVSTJZSA-N 437.975 4.931 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1csc(C(C)C)n1 1760460483 HTYMLGCHMOCFLF-UHFFFAOYSA-N 433.585 4.576 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(N(C)C)CCCC1)C1CC1 1760469724 NABBHLWUXDYFND-UHFFFAOYSA-N 431.531 4.576 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@H](c1c(F)cccc1F)N(C)C)C1CC1 1760476056 FIYCYQIZQZQOGF-OAQYLSRUSA-N 429.559 4.747 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1760568069 WZONIJNTIUOSHB-HXUWFJFHSA-N 439.654 4.855 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1 1860728513 OQOFOXGMUDOKFA-FMIVXFBMSA-N 446.459 4.712 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)Cc1ccc(OC)c(OC)c1 1861851600 OTWJSNHORNKYGM-OAQYLSRUSA-N 434.621 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446223 NEWJAISNKLBTGA-DNVCBOLYSA-N 432.303 4.751 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F 1862467953 FFIGCSNXNXPCPR-SFHVURJKSA-N 432.289 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc(Cl)c1)c1cccc(Br)c1 1862527237 SRGXAAYOLADBPJ-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2F)cc1 1862532126 AYRJADTZWREDJN-JOCHJYFZSA-N 434.442 4.701 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2)cc1 1862555817 IXAYSEPXKQMTFO-QHCPKHFHSA-N 430.479 4.537 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 1862626681 FSZHUGOPYKMQNL-OAQYLSRUSA-N 425.456 4.713 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862668211 TTXHTFVXZDCBQF-LJQANCHMSA-N 434.319 4.687 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OC)c1 1862674613 ZFPRHHJCCUITCZ-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(Cl)cccc1Cl 1862683815 UQVKQCBBBHIECM-GOSISDBHSA-N 438.282 4.747 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862705243 SXJVECPJEXRPNH-GGAORHGYSA-N 449.547 4.750 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 1862752632 ZWASLFRHGRBLTA-IBGZPJMESA-N 428.872 4.873 30 10 IJEE CCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C2CCCC2)C1=O 1863542296 XUBMPHIRFGBNAX-UHFFFAOYSA-N 425.573 4.618 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866732782 HPFCIBGULJCWIA-GOTSBHOMSA-N 437.609 4.873 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870233540 URUUJMPIEHGBDX-UHFFFAOYSA-N 444.560 4.671 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CN(CCC)CCCC 1870472679 GPCFKFIXZDIEQN-UHFFFAOYSA-N 440.584 4.593 30 10 IJEE O=C(O)/C=C/c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871382596 YHIVBPVPKBLPMJ-AGWINUGJSA-N 430.387 4.759 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)OCCOC)c3C)C2=O)c2ccccc21 1871438413 YHNSBXRESZZLMH-PGECNJAHSA-N 449.503 4.543 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871459831 GNVRKKZJQPCPIP-MTJSOVHGSA-N 430.416 4.537 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647933 QFGBMHVFHXIPNL-UHFFFAOYSA-N 449.002 4.726 30 10 IJEE CCCCCCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 1872721265 GZPSWJLWBMOXPT-UHFFFAOYSA-N 430.614 4.542 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c([N+](=O)[O-])cc1OC 1872783922 LNXQQWUMAOGPAD-INIZCTEOSA-N 437.477 4.842 30 10 IJEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)cc1C 1872787746 QOTNZVJYHAYSOQ-FQEVSTJZSA-N 433.533 4.813 30 10 IJEE N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)s2)cs1 1872789931 ZDTPTXLIQNQOHM-LSDHHAIUSA-N 441.965 4.750 30 10 IJEE C[C@H]1CN(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C[C@@H](C)O1 1872800812 WKGBZXTZNSYTHS-LVCYWYKZSA-N 431.561 4.763 30 10 IJEE C=CCn1c(C(=O)NCCc2ccc(F)cc2)cc2c(N(CCC)CCCC)ncnc21 1873594332 QNBRJBFWWAPDAK-UHFFFAOYSA-N 437.563 4.745 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1C(=O)O 1874216936 MBTAVQWLBXFAIX-FOKLQQMPSA-N 444.944 4.820 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874283318 BALXKVFKRJJCBV-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE OCCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874284789 YGNXAMYREWKLFL-OEAKJJBVSA-N 435.380 4.727 30 10 IJEE CCCOc1c(/C=N/n2c(COc3c(C)cccc3C)nnc2SC)cccc1OC 1874298896 YLBTZUOATISIRX-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 1874450046 SBKUUARMXGIDQE-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1O 1874462779 FTBPDQUCVNXELR-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(C(=O)OC)cc1 1874476333 LQZRLNHSZDCBOL-ZVHZXABRSA-N 426.517 4.721 30 10 IJEE C=CCSc1nnc(CCC)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874508624 NHMVGGCNKAKIJV-LFVJCYFKSA-N 436.537 4.619 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)c1 1874516063 DMPMPOQGNQXBFW-FSJBWODESA-N 425.945 4.730 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2)cc1OCC 1874563953 GLNZEPQXROEDLX-JJIBRWJFSA-N 440.569 4.648 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)cc1OC 1874572980 ORGHDLNNFKHGKQ-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccccn1 1875115277 VSVMQHJUJBQQJT-NTEUORMPSA-N 429.472 4.943 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)cc2)c(OC)c1OC 1875194110 KQAQWKVQDMTSOH-XYOKQWHBSA-N 438.501 4.818 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc21 1890565367 SQOUGTVNMSTOAQ-UHFFFAOYSA-N 433.552 4.867 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NCCCB1OC(C)(C)C(C)(C)O1)C(C)(C)C 1999365759 QKAAUQHQGFSGNP-DFYVNMARSA-N 446.463 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2014116588 NTLDBTSJFLQNSK-NRFANRHFSA-N 434.541 4.607 30 10 IJEE CCCC#CC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024385271 LFMQJCGGJRHBAK-BVAGGSTKSA-N 427.633 4.718 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2037376215 NEIHWYHYAJJCON-AZUAARDMSA-N 445.560 4.512 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2cc(Br)ccc2Cl)C1 2063052502 XWXQEUPZPDXWTJ-MRXNPFEDSA-N 430.770 4.867 30 10 IJEE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080031150 XZRXNKSRMYGTPI-CQSZACIVSA-N 432.240 4.794 30 10 IJEE CN(C)c1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2093102435 UFGDSFYLSWKZRH-CQSZACIVSA-N 437.363 4.978 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1cc(Br)c(C#N)cc1F 2106012600 YKCBPURSYGQBLU-WBMJQRKESA-N 426.330 4.907 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2118196334 GKQLFPFNTNFGQT-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C[C@@H]1C[C@@H](C)N(c2cc(Br)c(C#N)cc2F)C[C@@H]1CNC(=O)OC(C)(C)C 2174767720 MVSHHWXLHMKOQM-NFAWXSAZSA-N 440.357 4.835 30 10 IJEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1c1ccc(C#N)c(Br)c1F 2174814767 LFUQGFZOTJTDSH-SOUVJXGZSA-N 438.341 4.542 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1CCC 2224251585 YBJKPSRJNWAHRS-RHSMWYFYSA-N 429.403 4.566 30 10 IJEE C=CCN(CC[C@@H](NCC)c1cc(Br)nn1CCC)C(=O)OC(C)(C)C 2224278795 VQTBMTGOJIDNIJ-OAHLLOKOSA-N 429.403 4.519 30 10 IJEE CCCc1ccc(C#C[C@H](NC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2231150999 AYDJVLHBSLVLES-IZZNHLLZSA-N 449.639 4.604 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235732814 SPDVJJPKZQFKNM-UYAOXDASSA-N 435.406 4.816 30 10 IJEE C#CC[C@H](C)C[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237406118 ZPSDWIAGODNQLW-FFZOFVMBSA-N 437.422 4.913 30 10 IJEE C#CC1(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC(C)(C)C1 2244946277 ABQYHHHTVDBPBK-XMMPIXPASA-N 444.575 4.858 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1B1OC(C)(C)C(C)(C)O1 2247822967 KTBJGRMLIUQJAU-UHFFFAOYSA-N 425.403 4.798 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2256737231 KLGGIMKULIWNES-HSZRJFAPSA-N 439.644 4.869 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)C12CCCC2 2262205915 MWFODKBCNNWGPA-VWLOTQADSA-N 445.556 4.553 30 10 IJEE C[Si](C)(C)C#CC[C@H](OCCN)c1scc(Br)c1Br 2277297932 FSFDFYLAIXRCKX-NSHDSACASA-N 425.262 4.560 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@@H](N)CC#CC1CCCC1 2289846872 DKTLDIKRXYOSEG-PMACEKPBSA-N 435.406 4.796 30 10 IJEE C=CCOc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296073522 NETXJSACVRRLNH-NRFANRHFSA-N 446.528 4.951 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CCNC(=O)OC(C)(C)C)C(C)C 2296269266 NFYCQKNIHSBQRD-WOJBJXKFSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C 2296299278 SUHCBFQGOFNSBB-WOIUINJBSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 2296300015 BTNREAVNVPKSEM-UXHICEINSA-N 435.406 4.862 30 10 IJEE O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccc(Cl)cc1 2297745391 AVYBKNPLQYZXJZ-OAQYLSRUSA-N 448.862 4.870 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1 2297747211 JPZBIHGQCMPGHB-IBGZPJMESA-N 443.286 4.912 30 10 IJEE CC1(C)OB([C@@H]2CCN(Cc3ccc(Br)cc3Br)C2)OC1(C)C 2303099452 OBUWWZVUTAUMDD-CYBMUJFWSA-N 445.004 4.880 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 2306520548 GYMUKOLIQRHECN-RPBOFIJWSA-N 428.573 4.699 30 10 IJEE CCN[C@H](C#C[C@H]1CC1(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2317315170 GFWXCMIFTQLOBL-XZOQPEGZSA-N 439.644 4.574 30 10 IJEE CC[C@@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317359041 VYZAZQUHXAQKAA-SZEUEKNRSA-N 432.370 4.798 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)c(C)c1 2320907501 RWQPMSKNWCMUPM-UHFFFAOYSA-N 444.564 4.867 30 10 IJEE O=C1C(=Cc2ccccc2F)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 2322224473 MBXIOIWRGDPVQB-FMRJCRTMSA-N 447.506 4.678 30 10 IJEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1 2323034280 ADEITDYPUHPCKI-UHFFFAOYSA-N 426.683 4.644 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)c1 2323720311 JWYISOLBQUAWOZ-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C2=O)c1 2324969520 UCMILOCWVPRXKS-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccs2)cc1 2326807264 BLELSAHXXKDNMK-UHFFFAOYSA-N 448.573 4.892 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cccc(OCCC)c1 2328403566 WUBZZKZDDPOKGM-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccc[nH]1 2328694232 DAXQEIVHKVUZMI-UHFFFAOYSA-N 431.565 4.617 30 10 IJEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2328961780 RRPJGWCSPLTAHU-UHFFFAOYSA-N 439.541 4.678 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N(CC)CC)nnc2[C@@H](C)c2ccccc2)cc1 2330050720 UNQODSUAZCBMNK-IBGZPJMESA-N 449.624 4.835 30 10 IJEE CCOc1c(C=Nn2c(SCc3ccccc3)nnc2C(F)(F)F)cccc1OC 2331138193 LCLGMLVNHHZPLR-UHFFFAOYSA-N 436.459 4.879 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)c(OC)c1 2331183734 FZALKYYXCKPTBH-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 2331532195 KXBFYVDKPMHUMF-UHFFFAOYSA-N 436.395 4.643 30 10 IJEE CN(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2364752803 BKNCROXGKUVGPO-RPWUZVMVSA-N 446.400 4.678 30 10 IJEE C=CCCC1(C(=O)Nc2cc(O)c(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2370464812 SRLQMGXSEGJMDK-UHFFFAOYSA-N 439.350 4.605 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(NCCc3cccs3)s2)CC1 28502541 CENDEZDTXGDSCJ-CHWWFWEZSA-N 449.671 4.666 30 10 IJEE C=CCc1ccc(OCCCCn2c([C@H](C)NC(=O)C=C)nc3ccccc32)c(OC)c1 35144164 TUMMRQWXXOSEMZ-IBGZPJMESA-N 433.552 4.996 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(OC)c1 40077101 UNFJUFJKAVDPJN-IBGZPJMESA-N 444.325 4.836 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)cc1OC 41291891 RSBTYCOWIJMUFH-XKZIYDEJSA-N 434.419 4.987 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 41585072 FMBXSYSAGQOGNK-JLPGSUDCSA-N 444.506 4.778 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1cccc([N+](=O)[O-])c1C 59461733 UYLBLAZHKYTSFL-CLCOLTQESA-N 434.481 4.526 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCOc1ccccc1Br 62897561 SSDRLQNIBMRVIJ-UHFFFAOYSA-N 433.302 4.731 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(CC)cc2)cc1 106072591 AEQPVPOADZVJPL-FEYWKWKCSA-N 446.503 4.961 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2cccs2)c1 169988528 ZXXXJIHFFWXXPC-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3cc(C)ccc3[nH]2)[C@H]1c1ccc(C)o1 170103456 BXEGILFIWPPEQS-NRFANRHFSA-N 443.459 4.564 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1C 170133195 KTQRONJJTBAEQX-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(N(CC)CC)cc1 170138624 BDHTVNXFUHSQDD-QHCPKHFHSA-N 436.552 4.838 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 170147813 AFURKNVJEHUUFZ-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccccc1OC(C)C 170151071 JOLHGRSPIBJODD-JOCHJYFZSA-N 441.499 5.000 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC(C)C)cc1 170151983 BFJYBFNTHXFGEB-NRFANRHFSA-N 438.480 4.760 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1Cl 170163462 VMCQJVOIQQIPHS-IBGZPJMESA-N 440.908 4.584 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccn1 170174593 HJZQXEVZGURHMB-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE COc1ccc(Cl)cc1N1CC(=O)C(c2nc(-c3ccc(C)cc3)c(C)s2)=C1N 170179438 ABBNFPAKFWYXMY-UHFFFAOYSA-N 425.941 4.806 30 10 IJEE CCOc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)cc1OCC 170181203 XMGJDEBQWLKLAC-UHFFFAOYSA-N 435.549 4.633 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCC2)c1 170218770 AJEIDQXCZVXSMR-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170230240 KIMRTPULLQCEHQ-UTKZUKDTSA-N 437.879 4.844 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)ccc1Cl 170230634 XIRCBLNNHKDHPW-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(F)cc1 170243768 CNADIJKQUPVVKE-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1c(C)[nH]c2ccccc12 170311788 UZLUTJKTPRNCRN-QHCPKHFHSA-N 446.503 4.626 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 170464910 DKNHRYJUVJSYOX-HXUWFJFHSA-N 429.900 4.878 30 10 IJEE CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)NCC2CCC(C#N)CC2)c1 441791639 WQNISUVFORJNBE-UHFFFAOYSA-N 436.350 4.856 30 10 IJEE C=CCN(C(=O)[C@@H]1CCN(C(C)=O)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 487216451 DKSMXPPGIDIJDP-JOCHJYFZSA-N 431.561 4.865 30 10 IJEE CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@H]1CCN(c2ccccc2F)C1=O 487916494 LZUQMFFYAZATNJ-DEOSSOPVSA-N 443.478 4.562 30 10 IJEE C=CCn1c(COc2ccc(OCc3ccccc3)cc2)nnc1N1CCC(C)(C#N)CC1 508931756 QFCWEFGWHUSIMP-UHFFFAOYSA-N 443.551 4.752 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(C)c2)cc1OC 526516697 QJFXFYOPKVTKNO-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526811326 HRXBKCGJHPAYKH-QRVIBDJDSA-N 439.541 4.939 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccccc1O 526831102 HXDUWWGNMNCXSD-QRVIBDJDSA-N 442.541 4.659 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)n(C2CCCC2)c1C 539336036 ASIAMPHNFIEKCZ-SFHVURJKSA-N 430.556 4.567 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 549253120 ZMHUYOXUGGHOHO-KRWDZBQOSA-N 439.585 4.687 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 576949639 QTNFMXBDQZCGLJ-UHFFFAOYSA-N 437.491 4.587 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)c1 585825547 IFHLTIAEGBBTNJ-DWHWKFTJSA-N 441.959 4.652 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccn(C(C)C)n1)c1ccc2c(c1)OCO2 742658213 LGACFLVAQDCEJX-UHFFFAOYSA-N 433.508 4.533 30 10 IJEE N#CC[C@@H](CC(=O)OCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccccc1 795990861 MJOFNYPJWLROGG-OZXSUGGESA-N 438.527 4.791 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 802566896 CXVWBJLHSKGLFX-ZEQRLZLVSA-N 448.542 4.620 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2cncc(C(F)(F)F)c2)cc1C 802857114 WQBJRLBPUPORSD-UHFFFAOYSA-N 428.414 4.851 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 1126062522 BJKILZQCMAAPCL-HXUWFJFHSA-N 433.390 4.649 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)nn2-c2ccccc2)cc1 1126757879 BSAORVONVLQSHM-UHFFFAOYSA-N 440.507 4.623 30 10 IJEE C=CCC[C@H](C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)c1ccccc1 1127361775 YSOYFYBAIXLEJX-FQEVSTJZSA-N 445.376 4.982 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 1127629947 ICBVQFRSRPCBLO-KRWDZBQOSA-N 449.482 4.523 30 10 IJEE C#CCN(C(=O)c1coc2cc(O)ccc12)[C@@H]1CCOc2ccc(Br)cc21 1146862179 OGUUYQFBXQDMBA-GOSISDBHSA-N 426.266 4.500 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1160297322 HYHUALXYFGVQCH-DQEYMECFSA-N 444.575 4.954 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1167273389 FBWOPLWYRMDCDB-UHFFFAOYSA-N 426.564 4.694 30 10 IJEE C#CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCc2ccccc21 1176464411 XIMZRUANDNCILU-JOCHJYFZSA-N 446.532 4.670 30 10 IJEE C#CCOc1cccc(Cl)c1CNCC1(c2ccc(Br)cc2)CCOCC1 1199932979 ACSBQBCUXKDPQH-UHFFFAOYSA-N 448.788 4.953 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(Cc3ccc(OCC)cc3)CC2)cc1OC 1205032843 OLAAYXATNOEWKL-UHFFFAOYSA-N 430.976 4.630 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1266463701 WMPIDSCOEGEXMM-TZIWHRDSSA-N 430.470 4.991 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccc(Br)c(C#N)c2)c1 1274484507 IDWHJQLTTITBCQ-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C)CC1 1286322738 DODLYFFQYJIGGB-HXUWFJFHSA-N 443.636 4.823 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1286336008 XVEQHNSPCGWDSY-UHFFFAOYSA-N 443.020 4.706 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286336755 OLKJCEVMZSCELB-XMMPIXPASA-N 449.643 4.590 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286380974 JURKNURDKLCOQV-IFMALSPDSA-N 438.616 4.719 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(SC)CCC1 1286451195 UPNQWUKFKBHHTP-UHFFFAOYSA-N 426.630 4.900 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(C)C)CC1 1286554431 XVNVGORDNLKZDJ-TZIWHRDSSA-N 429.996 4.847 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C 1286602908 DVMSHNFSXSFVDI-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286604442 KWSWTNUXCVGKBF-FQEVSTJZSA-N 432.996 4.975 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1286637560 HLYXHQIIBUMDQI-AABGKKOBSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@](C)(CC)C1 1286668357 QKJFTEAVXKRHOL-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1Cc2ccc(Br)cc2C1 1286688315 WGMYUTTVTZWOLL-KRWDZBQOSA-N 431.378 4.811 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286690265 GANLEIYKTGTOCK-ATIYNZHBSA-N 438.616 4.584 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1286721689 CQRNGHHTUKOBAH-SIKLNZKXSA-N 434.588 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CC(F)(F)c1ccccc1 1286749757 YOEZOZSCGNHMAM-QGZVFWFLSA-N 430.524 4.828 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1286828596 ONFPAQNYKPFDFS-DLBZAZTESA-N 427.643 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1(COC)CCCC1 1300275768 ZUVSTSJLOZHUAL-OALUTQOASA-N 428.552 4.612 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1300742556 NIOSTSWZFFPAQR-QHCPKHFHSA-N 448.640 4.529 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CCCO)CC1 1300830300 FACUUPXSLUAIEA-FQEVSTJZSA-N 447.421 4.718 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CCCCC1 1300870488 SSVRSQDTEKDWMV-KNQAVFIVSA-N 439.560 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=O)NC(C)C 1300899342 DKBCQVPDPSFHJX-SFHVURJKSA-N 448.011 4.615 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(CC)CCOCC2)CC1 1301063461 AFCISVFTAGHQRE-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCn2ccnc2C)CC1 1301095716 MRUSJAMBICRHTC-UHFFFAOYSA-N 448.615 4.906 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCn2cc(Cl)cn2)CC1 1301097416 VSTWPQGNBQUVDQ-UHFFFAOYSA-N 428.993 4.585 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301130155 PYZSFFVOMFICAJ-OAQYLSRUSA-N 443.636 4.813 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301158963 RBUKSTSYZKWZJB-PLACYPQZSA-N 430.637 4.947 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCCOCC1)C(C)C 1301367543 PSLOCVCOFBNCAV-JOCHJYFZSA-N 449.599 4.617 30 10 IJEE Cc1cc(C(=O)CSc2cccc(F)c2C#N)c(C)n1C[C@H]1COc2ccccc2O1 1307350454 GUQFFSNSRDOQSP-KRWDZBQOSA-N 436.508 4.931 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-c3nnc(C)o3)cc2)cc1OC 1308312438 VCWPJSUPHPYWHZ-UHFFFAOYSA-N 430.302 4.993 30 10 IJEE CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCC1 1310212461 GXNFWINOTSVUFS-UHFFFAOYSA-N 436.512 4.919 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1CCc1nc(C(F)(F)F)cs1 1314728654 BTCFKDTXMDAKDE-UHFFFAOYSA-N 446.502 4.772 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)cc1 1354564831 OAYICFBVUAMSST-AWEZNQCLSA-N 441.380 4.617 30 10 IJEE N#Cc1ccc(OCC(=O)O[C@H]2CCc3c(OCC4CC4)cccc32)cc1Br 1356457013 CLCFZWKGXQMSHP-NRFANRHFSA-N 442.309 4.719 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)CCc2ccc(F)cc2)c(C(=O)OCC)c1C 1357818432 UTLOJDXURWEZIT-CQSZACIVSA-N 447.528 4.923 30 10 IJEE COc1ccc2onc(CC(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)c2c1 1358424461 FDHRJDNJZDLZDU-UHFFFAOYSA-N 429.451 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CCOCC)CC1 1358877784 KMGAMCADMMJBHT-MSOLQXFVSA-N 426.630 4.796 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1Cc1nnc(C(C)(C)C)s1 1359196553 LGTYNIZPVCDNAT-QGZVFWFLSA-N 432.638 4.900 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@@H]1C 1359213735 FIUZWNZICVTGBJ-MOPGFXCFSA-N 434.588 4.827 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@H](F)C1 1359255285 UEFRPMLLAMLAIZ-VXKWHMMOSA-N 435.547 4.603 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1359346666 RGUFLEGPBIOGPE-MOPGFXCFSA-N 432.659 4.802 30 10 IJEE C=CCn1c(SCC(=O)Nc2cnc(Cl)c(C)c2)nnc1-c1ccc(Cl)cc1 1435389366 YOVJCKDUNUFNOQ-UHFFFAOYSA-N 434.352 4.872 30 10 IJEE C=CC1(CC(=O)N2CCOC[C@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)CCCCC1 1435853655 BZQFOTCSRAQKQY-QHCPKHFHSA-N 437.584 4.924 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C1CCC1 1441413686 BZYLDIIGEBDKCN-QFIPXVFZSA-N 435.524 4.769 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1449431373 YVCKCGHNCGAMCA-XWMMGPHDSA-N 428.532 4.787 30 10 IJEE C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1458889955 XWLJSPOFBVPPKT-PKHIPVCBSA-N 428.319 4.580 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)Cn2nc(-c3ccc(Cl)cc3)nc2Cl)c1C 1459225836 FUVREFRIHDIKKR-UHFFFAOYSA-N 428.323 4.816 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1ccc(Cl)c(Cl)c1 1459450937 FOAMLJPEYPLRIV-SFHVURJKSA-N 444.336 4.650 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@@H](CO)c3ccc(F)cc3)c2C#N)C1 1460141192 HXRNNDDFPGGMMI-UZLBHIALSA-N 443.588 4.562 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1OC 1461095465 LXHHAUOVKCJFKZ-OAQYLSRUSA-N 444.531 4.947 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 1468849014 TVBHGWLMJZNTDL-LJQANCHMSA-N 431.305 4.647 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)c1ccccc1OCc1ccccc1 1469653185 DGENLBYBSUYYTP-IBGZPJMESA-N 446.576 4.792 30 10 IJEE C=CC[S@](=O)(=NC(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 1472275948 UNPYZPCLKBHNNV-WJOKGBTCSA-N 444.553 4.676 30 10 IJEE CC(=O)N(c1nc(Cn2nnc(-c3ccccc3)c2C#N)cs1)c1c(C)cc(C)cc1C 1473094722 DLYRSKDGZBCNBU-UHFFFAOYSA-N 442.548 4.931 30 10 IJEE CCCOc1ccc(O[C@@H]2CCCC[C@@H]2N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1473397130 HOICAMLNRMWDHN-JIMJEQGWSA-N 447.579 4.822 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 1474244021 JMWBSEYFVHYARR-YZGWKJHDSA-N 447.170 4.652 30 10 IJEE N#Cc1ccc(CCNC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 1476205922 FLIKGCOUXVCJPT-UHFFFAOYSA-N 430.455 4.989 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1478472263 OMMXZUVPVJVNKQ-HXUWFJFHSA-N 437.531 4.918 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1507570429 CXXSXIUWFSGKOF-GOSISDBHSA-N 446.889 4.834 30 10 IJEE C#CCCCCn1c(N(C)[C@H]2CCC[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507575961 WXHWAYRMIRLBJR-CGXNFDGLSA-N 443.636 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1507808132 XUGKVYADEIJMFM-DWXLDPMZSA-N 429.008 4.986 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)CCO1 1509974092 GWCZQXXQBJSSDR-GCJKJVERSA-N 435.597 4.618 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(C#N)c1)N(C)C 1513285269 BGWFDSBEJWUCHG-JOCHJYFZSA-N 434.588 4.721 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)CCCN1C(=O)OC(C)(C)C 1518933644 PBYZEHYAOPGQFZ-DEOSSOPVSA-N 446.519 4.513 30 10 IJEE Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)c2)cc1 1519267714 BERXSKNHFYJNFR-JOCHJYFZSA-N 443.934 4.856 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1ncccc1C)c1ccc2c(c1)OCO2 1521284730 ZJDIOCVBJTYOHQ-ACCUITESSA-N 428.488 4.930 30 10 IJEE CC[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1cc(F)cc(Br)c1 1523557836 HPWIMIFMYJOGIG-LIRRHRJNSA-N 448.311 4.693 30 10 IJEE CCc1ccc(N2C[C@H](C(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2=O)cc1 1526620804 DTSSSGUCZXBNIE-HXUWFJFHSA-N 426.520 4.520 30 10 IJEE C#Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 1528928878 ASCKTSFUTKNUDQ-LJQANCHMSA-N 432.442 4.569 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1533753747 FRXKONMGLVXPKU-UHFFFAOYSA-N 445.313 4.718 30 10 IJEE C=C(C)COCCNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 1534998105 ODWCYZOKJROJDK-UHFFFAOYSA-N 429.973 4.539 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccc(OCC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1537587497 IPORXKYQLGPPQC-VWLOTQADSA-N 430.589 4.726 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(F)c(F)c1 1537693230 ZJJLZRVPIFOLOM-XOBRGWDASA-N 449.295 4.514 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)Nc3ncccc3C(=O)c3cccc(Cl)c3)on2)c1 1537832344 FPPKEYQGTZVVHO-UHFFFAOYSA-N 428.835 4.745 30 10 IJEE Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(CCC#N)cc3)nc(O)c2c1C 1538017818 JAUOKXDMJQDQKO-AWEZNQCLSA-N 426.567 4.730 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1nc2c(s1)CCCC2 1538986164 IXPMAKABGAVJAC-OAHLLOKOSA-N 425.989 4.634 30 10 IJEE C#CCCCCn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086574 JADKPFRNHUUASE-NRSPTQNISA-N 449.599 4.934 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCC 1539645549 QZKCIHZBAPPJAK-MGPUTAFESA-N 439.387 4.991 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(C(C)(C)C)CC1 1539778405 AJWFZODDSFJAJH-UHFFFAOYSA-N 439.007 4.865 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@@H]1CC 1539948033 SFEYKOPQYXXFQA-XLIONFOSSA-N 429.996 4.843 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21 1539962583 WRUTYSXPTSJBLX-SFHVURJKSA-N 432.549 4.861 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC(C)=C(C)C1 1540027760 ACYMQILNHITVSM-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(NC(C)=O)cc1 1540054807 WGIAAAVTTQDDAX-INIZCTEOSA-N 435.597 4.760 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCOC[C@H]1C 1540129065 RDOCMAZVQAAPDX-HYBUGGRVSA-N 433.600 4.748 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CCCO1 1540158182 BPIDYRPUXVYWBJ-FQEVSTJZSA-N 435.341 4.594 30 10 IJEE Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1B1OC(C)(C)C(C)(C)O1 1540638539 BOEPPVADKVMPAX-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE COc1ccc(Oc2ccc(CCNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)cc1 1544840854 FFXDKSUMCJPDKJ-UHFFFAOYSA-N 430.479 4.889 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1)OC 1545302545 DRDJCPIEFRHZCO-JHYNZKOVSA-N 439.604 4.805 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl 1545595450 HLBNBTZPMCXSLL-SPLOXXLWSA-N 446.334 4.596 30 10 IJEE C=C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)C[C@H](C)C2 1557622569 NKEFFKQXZNJUKX-PAUGXMEZSA-N 441.575 4.700 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2nnc(-c3ccccc3)c2C#N)cs1 1559473983 PZCLQOWEUHHBEK-UHFFFAOYSA-N 428.521 4.623 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 1564067632 ZZMPDLDUENLEEA-GOSISDBHSA-N 433.335 4.758 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1N1CCCCC1)c1ccc(Br)cc1 1564465584 CZDPXRMWFLJZQL-FQEVSTJZSA-N 426.358 4.613 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 1564667521 ASINXNZDQPOPJX-OAQYLSRUSA-N 431.577 4.789 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 1564913715 SIESLQCICFQKMR-WATLYSKOSA-N 427.589 4.510 30 10 IJEE C=CC1(CC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CN(C(=O)OC(C)(C)C)C1 1566503732 IBQCXSMMIXKFIX-OAHLLOKOSA-N 449.389 4.536 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1584537990 DUEVOUKKQQJEMK-MYDTUXCISA-N 437.584 4.690 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(SC)c(C(=O)OC)c2)s1 1584683271 IFXQPNQOYICMMZ-UHFFFAOYSA-N 443.015 4.986 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)cc1OC 1584890598 LYHAZTFDNJKHGG-WZUFQYTHSA-N 426.900 4.914 30 10 IJEE C#CCSc1ccc(COC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc1 1585110874 ZTGYFNHTOQESCL-UHFFFAOYSA-N 428.575 4.632 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1C(F)(F)C12CCC2 1587587135 YHZUMYJFTUVNDO-DGCLKSJQSA-N 441.345 4.662 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CN(C)CCC)C1 1587827309 KNQOZFJJTAQWRF-QGZVFWFLSA-N 434.415 4.833 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(F)c(F)c1F 1587931780 DRZCUTJDTKDEPG-CQSZACIVSA-N 444.526 4.861 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(SCC)c1 1588185815 NKJHJINTGRIXDP-HSZRJFAPSA-N 443.620 4.838 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCCC(C)C 1588200588 WSXLPGCUPUMWDL-UHFFFAOYSA-N 431.353 4.746 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(OC(C)(C)C)nc1 1588284702 YOIXFFJWQXLCDB-UHFFFAOYSA-N 429.524 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C(CC)CC)no1 1589178214 VMVFZBQTWMDJHF-HSZRJFAPSA-N 438.963 4.926 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1594115451 QULUEBBHZWDSLN-LJQANCHMSA-N 445.633 4.636 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)N2CCC(C)CC2)CC1 1594128399 QHTYDIWQTHIJMJ-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CC=CCC2)CC1 1594194455 VZWOKZHBYLBPAA-JOCHJYFZSA-N 435.616 4.699 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2nc(C)cs2)CC1 1594218343 DRKJPEXTQFBKFG-UHFFFAOYSA-N 439.585 4.568 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1594246973 CIJXFXUUBBCLNU-JOCHJYFZSA-N 437.975 4.707 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1594727939 VDKXUKGTUJIKGT-ICSRJNTNSA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1sc(C)nc1C 1594857010 HXSLFRHAJSFMQQ-SFHVURJKSA-N 425.602 4.973 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccnc(OC2CCCC2)c1 1594970944 BKVLECQFGLWOFY-UHFFFAOYSA-N 439.510 4.534 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCC1)C1CC1 1595054598 NEJYSZOZVFBKNA-IBGZPJMESA-N 429.609 4.738 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1595070842 OWMRXRMXLMCWEC-BLJFENDVSA-N 443.680 4.862 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(C)(C)C)nc1 1595116895 WVIHGNSFXJRMSQ-QFIPXVFZSA-N 447.583 4.595 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCO[C@H]1C(C)C 1595204708 JFUJGURZZHBHRU-OFNKIYASSA-N 433.556 4.840 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C(F)(F)F)C1 1595713948 ISPHDSPEWVKMTO-HNNXBMFYSA-N 433.478 4.796 30 10 IJEE Cc1cc(Cl)ccc1O[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 1595819345 BCPYOQWCIZLGEH-QPPBQGQZSA-N 447.922 4.715 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1ccc(Cl)cc1F 1597002260 HZDKVOMXSVCZQR-KRWDZBQOSA-N 432.680 4.532 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCN(C(C)C)C1 1598500861 CMEZUJLVRAFLIH-JOCHJYFZSA-N 432.616 4.687 30 10 IJEE Cc1cccc(COc2c(C)cc(CN(C)CC(=O)NCc3ccc(C#N)cc3)cc2C)c1 1615513955 FORHIWQBSODIHV-UHFFFAOYSA-N 441.575 4.811 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1616855349 ZFJFAMUERNFVPJ-XLIONFOSSA-N 446.498 4.568 30 10 IJEE COC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N(CCC#N)CCC(C)C)c1 1618905950 GBYLMVCJECPCCU-UHFFFAOYSA-N 440.592 4.859 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 1622127009 UIWUCYVTRAUJRT-FGZHOGPDSA-N 447.000 4.651 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)C1 1623388514 ZSJGLWZLSZMBMZ-SFHVURJKSA-N 434.927 4.900 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)C(C)C 1628249250 OISSEUBWZAZBEB-NRFANRHFSA-N 444.982 4.582 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 1628647823 FJYPCNDSHZEQMH-HSZRJFAPSA-N 425.460 4.638 30 10 IJEE N#Cc1ccccc1NC1CCN(C(=O)c2cc3cccc(C(F)(F)F)c3nc2O)CC1 1634245142 LJJACXTXUFIGRZ-UHFFFAOYSA-N 440.425 4.548 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1 1638814193 ISCRVLSXENKNKA-SFHVURJKSA-N 448.338 4.674 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(OCC)C(C)C)c1 1640051348 JNCFVJXTWGWWOA-UHFFFAOYSA-N 436.961 4.523 30 10 IJEE N#Cc1cnn(-c2ccccc2NC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)c1N 1640347281 GMSDFPYPQYKNJK-UHFFFAOYSA-N 435.896 4.976 30 10 IJEE C=C(CC(C)C)C(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1640979201 VVYQAQGLBMEWPU-FQEVSTJZSA-N 428.573 4.998 30 10 IJEE COC(=O)[C@@H](Cc1ccc(C)cc1)SCC(=O)Nc1ccccc1SC[C@H](C)C#N 1641096286 FTGKWEKMKHOEOS-DYESRHJHSA-N 442.606 4.703 30 10 IJEE C=C(CSc1nnc(-c2ccc(N(CC)CC)cc2)n1-c1ccccc1)C(=O)OCC 1643545585 JYLSAEDOXHJBQG-UHFFFAOYSA-N 436.581 4.992 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCCC[C@@H]3CC(=O)OC(C)(C)C)c2C#N)C1 1646781100 GWBMCTLCJQMLEU-IAGOWNOFSA-N 445.629 4.659 30 10 IJEE N#Cc1cccc(CN2CCC(NCc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)c1 1651276287 FTWHJWFPQVZHCE-UHFFFAOYSA-N 439.485 4.721 30 10 IJEE C=CCn1c(SCC2(OCCCOC)CCCC2)nc2sc3c(c2c1=O)CCCC3 1652459081 WZAVHYNPUPDQJD-UHFFFAOYSA-N 448.654 4.981 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCc3nc(C)ncc32)cc1OCC 1656449328 FOUCQYXRJKMWDW-SFHVURJKSA-N 432.362 4.678 30 10 IJEE C#CCN(CCC(=O)Nc1ccc(C)c(F)c1)[C@H]1CCOc2ccc(Br)cc21 1657340964 ZJUQSMBRTBFYBK-FQEVSTJZSA-N 445.332 4.684 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)Cc1noc2c1CCCC2)c1ccc(C(F)(F)F)cc1 1662981337 ZPEUMZVGZBHPRR-QGZVFWFLSA-N 428.476 4.699 30 10 IJEE CC#CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 1669067410 FAUBUYFBUMIMGT-OAHLLOKOSA-N 437.721 4.791 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 1670520554 BEGGKOLFUFIJNE-UHFFFAOYSA-N 439.357 4.957 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1670536491 GLZCBESRIQSWIF-UHFFFAOYSA-N 446.454 4.632 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](N2CCCC2=O)CC1)c1ccc(C(F)(F)F)cc1 1670826606 JASSYYNKNVVPOH-UXHICEINSA-N 437.506 4.899 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C(=O)OC)c1OC(C)C)c1ccc(Br)cc1 1671169234 FXVWYEGVZGESSX-QGZVFWFLSA-N 445.313 4.519 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1nccs1)C(F)(F)F 1672708208 HAQAIJBAGZWZPZ-LBPRGKRZSA-N 436.253 4.896 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[C@@H]1CCCc2ccccc21 1678516083 OQENCWFGLPUNPX-RPWUZVMVSA-N 432.955 4.848 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H](Cc3ccccc3)c3ccccc3)CC2)c(F)c1 1679510958 AYCLAQVCDLQERC-XMMPIXPASA-N 442.538 4.555 30 10 IJEE C=CCC[C@H](NC(=O)N[C@]1(CO)C[C@@H](OCC)C1(C)C)c1ccc(C(F)(F)F)cc1 1680854281 DRVJEHHDZWOBFD-UEXGIBASSA-N 428.495 4.578 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1685817654 TWDHRSZQSHMRSH-PBHICJAKSA-N 437.428 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1689856169 KWHIZLXSPXSCFS-VNZMSGEBSA-N 449.624 4.568 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@H](F)C1 1690095407 PPERSZYVOHLFJX-YADHBBJMSA-N 449.574 4.577 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cc2F)CC1 1690402762 PAAPVAVRXKEVKF-UHFFFAOYSA-N 448.315 4.765 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690436211 NLYVDKOIEUUPNF-HXUWFJFHSA-N 439.633 4.583 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1c(C)nn(C)c1C 1690459089 NQDNPYKMIUOPTA-UHFFFAOYSA-N 431.588 4.780 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1csc([C@H](C)OC)n1)C1CC1 1690546898 NVUZBNASHKQOHF-HNNXBMFYSA-N 444.004 4.889 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@](C)(O)C1CCCCC1 1690554228 YLTPUSANLCJUMM-RUZDIDTESA-N 426.605 4.934 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC1(N(C)C)CCCCC1 1690589857 DENNTPJQBSTWRQ-UHFFFAOYSA-N 430.600 4.936 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1705519223 CTOMVVIARJIWGQ-UHFFFAOYSA-N 427.980 4.543 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1705655986 TVEWCOUAGRGXKA-YLJYHZDGSA-N 433.021 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705793830 LNFLKKSDYJGMPT-GOSISDBHSA-N 442.677 4.547 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1705809213 KPZIVWODHWVGMZ-FQEVSTJZSA-N 437.617 4.668 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1c[nH]c2ccccc12 1705886554 DQGTZXCIPFJFGK-UHFFFAOYSA-N 425.334 4.730 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C)c1nccs1 1711670971 DMVAPWBBEGEXNU-ZIAGYGMSSA-N 430.965 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCN1CCCC[C@@H]1CC 1722475452 CXXCWZZJRMCJRG-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722588967 IHPAYRVCCZKONN-HXUWFJFHSA-N 439.633 4.583 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1722619438 CGIAMKIUPJINMU-UHFFFAOYSA-N 440.636 4.670 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](c1cccs1)N(C)C 1722636681 LRLYUFSIMMIYPU-QGZVFWFLSA-N 446.418 4.694 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)C(=O)NCC)C1CC1 1722645139 BUCUFUYZRVIOAY-UHFFFAOYSA-N 441.645 4.593 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1 1722673530 VKOBQQXCUCHFJJ-PKTZIBPZSA-N 444.627 4.696 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOC(F)F 1740541443 ZHPQDSOAAKXYMQ-CQSZACIVSA-N 434.487 4.900 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC1(F)CCC1 1740633246 BARAVAKLDPGCPH-UHFFFAOYSA-N 449.755 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)C(F)(F)F 1740658965 HXFKJNPMNSTRIX-UHFFFAOYSA-N 434.531 4.930 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@H]1C(C)C 1740663384 IDIWWGUNRCTMCC-DHLKQENFSA-N 445.611 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCOC1 1740734447 FHPCUMAFPDUMJK-KSFYIVLOSA-N 449.382 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cccs1 1740762379 CXMLYLNNSLDMDX-XXBNENTESA-N 438.597 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CSCCS1 1740770894 KRWRQCGBOXBAEO-SFHVURJKSA-N 425.627 4.744 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCSCC1 1740845511 RIXBJCQKMSIQNA-UHFFFAOYSA-N 427.437 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1740849454 JXPKJEOTHCSGFL-HSZRJFAPSA-N 430.600 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC1(N(C)C)CCCCC1 1740921725 GQBIYJVQPJHWIR-UHFFFAOYSA-N 436.629 4.859 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1c(F)cccc1OC(F)F 1740930760 YZJHEHTZDNJTLI-UHFFFAOYSA-N 429.446 4.616 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC2(C)C)C1 1740978449 VDDFCTNVDKCBSS-JKSUJKDBSA-N 431.378 4.535 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(Cl)c(OC)c2)C1 1740982232 SGSTWZCCSSIDRF-GOSISDBHSA-N 432.996 4.553 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCOC2(CCCCCC2)C1 1741002879 TVLUNMUFFUKEHW-UHFFFAOYSA-N 444.620 4.857 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)N1CCC[C@H](C)C1 1743915404 DNVHMMXRLHTSMV-QNWVGRARSA-N 436.648 4.926 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CCOC)CCCCC1 1748650231 YYZDUCAAFZNVRA-HXUWFJFHSA-N 446.599 4.780 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OCCC)nc1 1748655473 YSFJLIMXAAARHW-OAHLLOKOSA-N 444.366 4.942 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1748721450 JJZPQDCTOPEGHT-UHFFFAOYSA-N 449.002 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CC1(c2ccc(F)cc2)CCOCC1 1749149942 JZGYYROXIIRXEV-UHFFFAOYSA-N 435.547 4.630 30 10 IJEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1749261813 AMGGXVJWZLRCCA-INIZCTEOSA-N 438.732 4.935 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1749288472 YIFGKXLUYMBOCC-UTKZUKDTSA-N 448.409 4.550 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)C[C@@H]1CCCO1 1749355121 AKEYFZXPJKPXEX-FQEVSTJZSA-N 434.588 4.943 30 10 IJEE COCC1(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CCC1 1749393590 AIGAQEHRKBKIPX-GOSISDBHSA-N 441.551 4.504 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1749458352 ZZJLBOLMQORTGO-FQEVSTJZSA-N 432.996 4.691 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cc(C(C)(C)C)no1 1749466384 QKAARCHRFYLGHL-QGZVFWFLSA-N 439.560 4.773 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CCOCC)C1CC1 1749510431 GXTYQKZWFISUFA-UHFFFAOYSA-N 425.758 4.552 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCCC1 1750298602 AIGPOEVTNQPJHQ-VQTJNVASSA-N 440.661 4.517 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCCC1)C1CC1 1750789654 HXLLRQCESFQUFZ-NRFANRHFSA-N 434.632 4.954 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCNc1ncc(Cl)cc1Cl 1752688364 BVFFZAQVKMKMBH-CQSZACIVSA-N 436.391 4.736 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)OCC 1760241372 XVAVKVPHFZSWPV-UHFFFAOYSA-N 441.938 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1cccs1)N(C)C 1760291687 YIMFHNAIDVEQGQ-PXDATVDWSA-N 433.625 4.864 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1760335160 LSSVFBHVDIXACS-SIKLNZKXSA-N 442.629 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCSCC(F)(F)F 1760339671 QOCONUKNXBZCLK-UHFFFAOYSA-N 437.535 4.979 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@H](C)N2CCCCC2)CC1 1760392203 IGYNGCNTJCBPHA-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCCCCC2)CC1 1760402812 VOZUQLUBKIWQAP-UHFFFAOYSA-N 430.543 4.635 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1760419868 DNNJHKKHXHLRMC-PLVHLFARSA-N 438.616 4.913 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nc(C)c(C)s1 1760454958 WGWIIRZDRNVVNA-UHFFFAOYSA-N 436.354 4.591 30 10 IJEE C=CCn1c(N(C)C/C(C)=C/c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513410 XBRHINJMJZACSH-HQZXWTKBSA-N 437.588 4.775 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCC#N)CC1CC1 1760973677 BBDSKDKTWFJLBB-KNQAVFIVSA-N 425.552 4.665 30 10 IJEE C[C@H](Cn1c(-c2ccccn2)nnc1N(CCC#N)CC1CC1)Oc1ccc(Cl)cc1 1761398004 FTMOJQOYXHJRTE-QGZVFWFLSA-N 436.947 4.591 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)C1 1770504343 HTCXCYBIGNLFOZ-LJQANCHMSA-N 438.626 4.660 30 10 IJEE Fc1ccc(/C=N/NC(=S)NCc2cccc(C(F)(F)F)c2)cc1Br 1860498801 UOAOKUYNYUQGRJ-NUGSKGIGSA-N 434.256 4.605 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 1861378526 LJHSOIBEUYYFAW-FQEVSTJZSA-N 438.616 4.736 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)c(OCC)c1 1862386345 LGOGBLIAAONKKK-LJQANCHMSA-N 448.302 4.862 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 1862390069 VEMVKPNCFBWTBF-XMMPIXPASA-N 442.515 4.908 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1862434471 ZRPPSMCBCWPILV-LJQANCHMSA-N 427.884 4.807 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1862444455 YYBCBPOSOPIFSL-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)ccc1O 1862481063 WDBULWWVYSMICS-QFIPXVFZSA-N 449.528 4.592 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 1862535441 ZWWWGPCTPCWGBS-XMMPIXPASA-N 442.515 4.821 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862620090 KHWXCEZXOSEYHV-JOCHJYFZSA-N 435.520 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2)cc1F 1862636749 NNCLDKSYZDXDTM-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1OC 1862657831 KHMBUFSVVDVKKU-QHCPKHFHSA-N 431.488 4.845 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(O)c1 1862725520 KWQUJQJEABDXJN-HSZRJFAPSA-N 427.456 4.529 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(Cl)c3)=C(c3ccccc3F)C2=O)c1 1862927452 TUASFYHXPDUUPM-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1cccc([C@H](C)CC(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)c1 1867113590 QNZWDVAAHJATQK-IQGLISFBSA-N 427.504 4.557 30 10 IJEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870111623 WJRIMOUEUHWKBK-PMACEKPBSA-N 427.895 4.747 30 10 IJEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCC(C)CC2)c1 1870348120 JTGIMYBTEJUKJE-UHFFFAOYSA-N 441.575 4.888 30 10 IJEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870810372 ZPGQAQSWJWVAHV-UHFFFAOYSA-N 440.927 4.744 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)c1 1871395171 JBUDLFJVNDMIOD-MYYYXRDXSA-N 443.499 4.978 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871775692 GEUWOOSAFPELIC-FDDCHVKYSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872013331 FLBZFVKQPPVSRC-QFIPXVFZSA-N 446.588 4.963 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872426501 BRMFZWKBESWZCX-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=CCOc1ccccc1OCC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2n1C 1873761629 TTXURWOHYPZKLO-JOCHJYFZSA-N 441.531 4.617 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(OC)c1O 1874244241 VRLOWCCIKABXBQ-ZVHZXABRSA-N 426.586 4.745 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874267819 QZPNDNPEFGOYFQ-CIAFOILYSA-N 431.905 4.803 30 10 IJEE OCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874343972 QFAPZWHKKRKORO-SSDVNMTOSA-N 441.771 4.796 30 10 IJEE Oc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874344420 LVGCHJFJYDAIIU-WGOQTCKBSA-N 448.523 4.919 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874426958 JWTGNUBDXBBXJF-MFKUBSTISA-N 443.532 4.572 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1cccc(C)c1 1874594690 XSYPKFLVAUYSFW-ACCUITESSA-N 431.488 4.926 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c(OC)c1 1874632513 HITJYHLMJHNKMQ-NTEUORMPSA-N 431.488 4.926 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)c1 1874714274 NFYYMGLMBLPZQA-DHZHZOJOSA-N 448.471 4.836 30 10 IJEE C=CCNC(=O)c1nc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cs1 1892385185 GWHNDHVGZMGKNK-UHFFFAOYSA-N 427.913 4.544 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C[C@H](C)C#N)C1CC1 1984689949 DHKZMMJHLXCJRD-IQGLISFBSA-N 445.563 4.700 30 10 IJEE Cc1cc(NCc2occc2B2OC(C)(C)C(C)(C)O2)cc(NC(=O)OC(C)(C)C)c1 2039820052 YCBOCVKDYPVDLX-UHFFFAOYSA-N 428.338 4.846 30 10 IJEE C[C@@H]1[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC[C@@]1(C#N)NC1CC1 2055575521 YSZVVLVRBDHJTE-QPVYNBJUSA-N 430.640 4.824 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(O)c1 2079048070 QGLASSYMTVAZQZ-CQSZACIVSA-N 431.224 4.556 30 10 IJEE Cc1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1I 2079171746 CKBOPFSCLMFNOR-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CC[C@@H](c1ccc(C)c(F)c1F)n1nc(C2(C)CC2)c(C#N)c1I 2079926311 ZUFDOBHWZUQLND-ZDUSSCGKSA-N 441.263 4.997 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100156593 NKZTZLPXKYAOFG-BJKOFHAPSA-N 435.417 4.802 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1cc(Br)c(C#N)cc1F 2118151855 VIUKQYHVUGUSQK-YVEFUNNKSA-N 426.330 4.542 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCCC 2126704341 KUFYMGWNYNPNRS-LSDHHAIUSA-N 433.337 4.717 30 10 IJEE N#Cc1cc(N[C@@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)ccc1Br 2156289487 UFTSEXGUHVAYRQ-UNMCSNQZSA-N 426.358 4.556 30 10 IJEE C=CCC1(NC(=O)c2cccc(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2174760480 JUUJWZRINXTETA-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCN(c3cc(Br)cc(F)c3C#N)C2)C1 2174812228 IRKZANLGFAJCGQ-ZDUSSCGKSA-N 438.341 4.543 30 10 IJEE C#Cc1cccc(CNC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1 2180044555 WKHUFPKRTAEIQU-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(Nc2ccc(C#N)c(Br)c2F)C1 2182457842 VUDPPKVMYFEXJC-RBUKOAKNSA-N 442.304 4.753 30 10 IJEE N#Cc1ccc(O[C@@]2(C(=O)O)CCCC[C@H]2OCc2ccccc2)c(Br)c1 2197254080 QFOHDJCLSMQDKD-CTNGQTDRSA-N 430.298 4.682 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2235727369 QILGIWMQYLXTKU-HOCLYGCPSA-N 449.311 4.577 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2235731859 RHLQODGQOLMQAC-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235735894 VNPVDEVENSQRJR-OALUTQOASA-N 435.406 4.958 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1c(F)ccc(Br)c1F 2239748603 CWOKLPBVAZYLTK-NHCUHLMSSA-N 440.328 4.902 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248454229 QKGGRASDYSAKGC-JOCHJYFZSA-N 444.692 4.689 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267015688 RPKJNGKEVLKIIG-LJQANCHMSA-N 437.389 4.681 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)ccc21 2267499767 YSXHKADRVIDHPI-UHFFFAOYSA-N 442.365 4.939 30 10 IJEE CN(Cc1ccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1)C(=O)OC(C)(C)C 2267565516 PFFWIZJYXSDNEI-IYARVYRRSA-N 444.381 4.864 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2c(F)cccc2Br)NCC)C1 2289734606 FOZHLFTXQDLWSD-SFHVURJKSA-N 441.385 4.970 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](F)[C@@H](C)CNC(=O)OC(C)(C)C 2296299326 UDWSZMXFZSGTOX-IPELMVKDSA-N 441.385 4.668 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2296309196 ROPASAZZTPIBRQ-HKUYNNGSSA-N 433.390 4.568 30 10 IJEE O=C(O)COc1ccc(C=C2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2297296086 LLKMHYDZDXYSDG-UHFFFAOYSA-N 430.485 4.959 30 10 IJEE Cn1cc(C=C2Oc3c(ccc4c3[C@H](c3ccc(O)cc3)CC(=O)O4)C2=O)c2ccccc21 2297639854 MNPJCNFGQWGYDN-FQEVSTJZSA-N 437.451 4.941 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2313014663 YJZPGACXPLVNEE-WBYLCXCBSA-N 448.568 4.900 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2317353960 KXKAEDDXICAEHE-UHFFFAOYSA-N 432.295 4.982 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2N=Cc2ccc(C(C)(C)C)cc2)o1 2318581931 BHRUPMANXAJSAS-UHFFFAOYSA-N 426.542 4.908 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C(=O)OCC)o2)cc1 2318581996 HVCXCVWWIYLDPX-UHFFFAOYSA-N 442.541 4.710 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(Cl)cc1Cl 2321075951 WZNSCEPAPGPUGT-UHFFFAOYSA-N 438.315 4.645 30 10 IJEE CCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2321836211 HHNNWRYWYPFSJO-CYBMUJFWSA-N 431.282 4.704 30 10 IJEE Sc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(Br)cc2)cc1 2321884357 LDPPOCRVUBZUIC-UHFFFAOYSA-N 429.343 4.668 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OC 2323060696 LIDMZWKHNLNOEP-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1 2325745414 JWDUENUTJVVAQP-UHFFFAOYSA-N 430.456 4.972 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(O)c(OCC)c1 2327976785 IDBYHLVWBXAVGH-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2cccnc2)cc1 2328572631 WKWULKRCGGENCP-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc[nH]1 2328680122 IUURVWHNORUGHL-UHFFFAOYSA-N 435.528 4.714 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1ccccc1Cl 2330438748 WXEUWXNKQAFKIS-UHFFFAOYSA-N 449.001 4.757 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1OC 2330736010 XJAHIEQWBJLVDM-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331017834 INQNRACCFAZYIK-UHFFFAOYSA-N 432.388 4.547 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(SCCO)nnc2C2CCCC2)cc1 2331100548 XGYFVVHFXFFKBR-UHFFFAOYSA-N 449.624 4.929 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1 2331122171 RBJOWLLQTIYYJS-UHFFFAOYSA-N 434.443 4.566 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)ccc1OC(=O)COCCOC 2331480265 BSHBJKKKTAJGDB-UHFFFAOYSA-N 434.488 4.703 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CCC2)cc1 2331500010 OKGHUTAPYUNGEQ-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2F)c1C 2331675365 KWUCSWYQFHKHKB-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2358670742 AKTLURSJFGIVSV-HQRMLTQVSA-N 435.406 4.672 30 10 IJEE C=CCC(CC=C)[C@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366641760 KIZURNSDARGKGZ-KBPBESRZSA-N 425.763 4.786 30 10 IJEE CCOC(=O)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)N1CCc2ccccc2C1 3176556 SVQMHPFUICWRCX-ITYLOYPMSA-N 425.838 4.706 30 10 IJEE COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)ccc1O 21258809 UKABFDOWNQGCQR-KBPBESRZSA-N 432.303 4.712 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)COc2cc(C(C)C)ccc2C)nc1C 22972594 TXEBULUROHLLOX-UHFFFAOYSA-N 443.598 4.634 30 10 IJEE CCOC(=O)c1sc(/N=C(\O)c2cn(C(C)C)c3ccc(Cl)cc3c2=O)nc1C 32607937 APFPENQDNBKTBY-UHFFFAOYSA-N 433.917 4.814 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCOC)c1 39911725 MLNBQVZRYQMEBE-XMMPIXPASA-N 447.535 4.546 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 41656565 RGYUTXJKYOTGLY-OYKKKHCWSA-N 431.463 4.845 30 10 IJEE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CCCN(CCC#N)C1 62039376 ANXPKQBGWWKHOO-MRXNPFEDSA-N 445.972 4.809 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1 63401675 QLXMDDQSOHTFGV-UHFFFAOYSA-N 448.479 4.689 30 10 IJEE O=C(NC1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101678956 YBWGFUHDXFREQF-UHFFFAOYSA-N 431.192 4.784 30 10 IJEE O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\Nc1ccc(-c2nc3ccccc3o2)cc1 135995394 MYRGQUNZYQNNAH-ACCUITESSA-N 438.237 4.813 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(OC)c2)c1 169929487 FSEKTQFXBXIGRF-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)c1 170119095 OQXCJKAUZZCIEI-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccc(OC)c1 170120919 PZYZBBDNTSLAER-LJQANCHMSA-N 429.900 4.654 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2cccnc2)c1 170144557 VTLGEWSCGJYSNE-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(C)c1 170147803 AYUQAWMTEAJQJF-QHCPKHFHSA-N 432.520 4.661 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)c1 170205117 COIBVJMANCUWAX-DEOSSOPVSA-N 440.499 4.757 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)cc1 170224994 DDFZBCWDQDVSAJ-GYCJOSAFSA-N 441.483 4.802 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 170234640 GPGSMENDSJABOS-HXUWFJFHSA-N 429.863 4.999 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccccc1F 170252569 VQMCBBLJFODDCV-FQEVSTJZSA-N 447.890 4.875 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302524 HIYLXPCUAQFTQG-QFIPXVFZSA-N 431.444 4.716 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(C)o2)c1 170306200 QEEFSDWAIKYEEM-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1c[nH]c2ccccc12)c1ccccc1 170383710 NRXUAFBROAOFTQ-QHCPKHFHSA-N 438.439 4.680 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)ccc2O)cc1 170454227 XWOVCRLLXXVPIB-QHCPKHFHSA-N 446.503 4.923 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(OC(C)C)c2)c1 170475623 IVUNIOFKUMTACS-JOCHJYFZSA-N 437.536 4.993 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2 226679107 UIZAOZGOVAMMNK-OTNCWRBYSA-N 437.609 4.824 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C)c(Cl)c1 252605687 GLWYDOGHYHVBSF-SFHVURJKSA-N 431.945 4.637 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1C12CC3CC(CC(C3)C1)C2 253570487 NQYZCZDHWGEQJA-UHFFFAOYSA-N 436.625 4.649 30 10 IJEE Cc1cccc(NC(=S)NN=C2C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c1 254838998 ZCTYJFMXKJXLQT-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)Cc1cc(Cl)ccc1I 404927985 KWKCMVPIVNEEDY-KRWDZBQOSA-N 446.716 4.780 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1csc(CCc2ccccc2)n1 435523393 VJZDXFCVVHKXIG-UHFFFAOYSA-N 436.537 4.734 30 10 IJEE Cc1oc(C#N)cc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436112729 XGVNPDGVISCKDB-MRXNPFEDSA-N 432.320 4.711 30 10 IJEE C=CCOc1ccc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)cc1 482785771 ZYKQDZBDCBXGJB-UHFFFAOYSA-N 428.580 4.623 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@@H]3C[C@H]12 504463670 YNCPTBSBAATVIL-KWVKCVPZSA-N 429.004 4.776 30 10 IJEE biogenic C=CCC[C@@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccccc1 507199679 KLASNOJOJJCYTQ-IZZNHLLZSA-N 432.608 4.781 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)Cc1nc([C@@H](C)OC)no1 508701141 VMCZDKOBIWDRLH-GFCCVEGCSA-N 444.948 4.726 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 508955840 KIYPROIFLRPYDJ-KRWDZBQOSA-N 439.585 4.551 30 10 IJEE C=CCn1c(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)nnc1C(F)(F)Oc1ccccc1 521444231 UDDNGJSCUQEMKP-MKTHODDLSA-N 446.523 4.527 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])o2)cc1 526484880 BOAFKDUURTVNNM-JOCHJYFZSA-N 445.431 4.905 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(F)c2)=C(Sc2ccccc2)C1=O 526659478 SJFBLLHPXHNXGH-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE CCOc1cc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc([N+](=O)[O-])c1O 526820009 HQAMLLOOKZZGFB-MSXFZWOLSA-N 449.492 4.618 30 10 IJEE CC(C)COc1cccc(/C=N\n2cnnc2SCc2ccc(C(=O)OC(C)C)o2)c1 526831454 OVCPODUJHBEJNU-MYKKPKGFSA-N 442.541 4.646 30 10 IJEE CC(C)CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730716386 WMZZDDZUBFKMHC-KRWDZBQOSA-N 445.976 4.527 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@H]1CCOc2ccc(Br)cc21 741565289 YJAMYFVEMPXGMK-VPWXQRGCSA-N 446.291 4.816 30 10 IJEE N#Cc1ccccc1N=c1scc(-c2ccc3nc(O)oc3c2)n1CCc1nccs1 747602508 NFIUVHDERJGXIJ-UHFFFAOYSA-N 445.529 4.867 30 10 IJEE CC[C@@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)c1ccc(F)cc1F 754759114 CYFOSSNEUCWEAW-CQSZACIVSA-N 432.370 4.742 30 10 IJEE C[C@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1)c1ccccc1 762442153 XRKKUHPAOPUQRA-HNNXBMFYSA-O 436.944 4.767 30 10 IJEE C=CCOc1ccc(/C=C/c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1OC 856582560 RYHWEYAVMBDASM-RGFVMQALSA-N 437.540 4.710 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(-c2ccccc2F)o1 863493295 DOSDHCIBTQZQNN-MRXNPFEDSA-N 436.439 4.586 30 10 IJEE C#CCOC(=O)/C=C\c1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 1084189069 XCLAIMVWIPVRAE-FPLPWBNLSA-N 435.701 4.880 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3F)n2)cc1 1084568895 AFAOPVYHTUMGKQ-CQSZACIVSA-N 426.521 4.634 30 10 IJEE C#CC[C@]1(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CCCN1C(=O)OC(C)(C)C 1125440756 TYRUXRPBLGGCIJ-YADARESESA-N 448.510 4.575 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3cc(N4CCCC4=O)ccc3Cl)cc2)nc1 1125460191 FIPIHTGGPZZFNU-UHFFFAOYSA-N 432.867 4.778 30 10 IJEE Cc1ccc(Oc2ccc(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)nc2)cc1 1127329294 ABLCDNBJGWPQSO-UHFFFAOYSA-N 428.492 4.569 30 10 IJEE C[C@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cc(Br)cc2c1OCC2 1128909358 HIFALLITSHGXHQ-LBPRGKRZSA-N 432.289 4.977 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Oc2ccc(F)cc2)n1 1144992463 KDOOGTIKEIZDTH-HXUWFJFHSA-N 443.519 4.879 30 10 IJEE C=CC1(CC(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)CN(C(=O)OC(C)(C)C)C1 1147942268 KAMLFXHKMBESIP-GFCCVEGCSA-N 433.496 4.542 30 10 IJEE Cc1nc(C2CCCC2)sc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1156559380 CIJGLHICRXXQGG-LJQANCHMSA-N 428.989 4.785 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)c1ccccc1 1180150858 SKSHZLDNEUVYPA-SSEXGKCCSA-N 444.915 4.982 30 10 IJEE COc1cc(CN2CCN(C)[C@H](Cc3ccccc3)C2)ccc1OCc1cccc(C#N)c1 1194141307 CVAOMDWYDZMJEQ-AREMUKBSSA-N 441.575 4.505 30 10 IJEE CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1211540831 HBMLQOMNVZXOGN-UHFFFAOYSA-N 446.450 4.981 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1)C(C)C 1218834185 WDFNSCSEMLERIQ-LJQANCHMSA-N 435.494 4.711 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1261212540 DHYFGBVVUOQXMJ-IEBWSBKVSA-N 445.560 4.622 30 10 IJEE COc1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1OCc1cn2ccccc2n1 1264705867 HXDIQMNUYCOPMT-OAQYLSRUSA-N 426.476 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)CCC 1286518021 OZYAQCYDJIVROF-DNQXCXABSA-N 426.630 4.819 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1 1286569010 ZUAMVJKAPQTRPE-NFBKMPQASA-N 437.613 4.600 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)=C(Br)C1 1286603648 VUEZPCBLTRGMMY-UHFFFAOYSA-N 445.405 4.979 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C2CC2)C1 1286692186 AHURNKMRAHAODX-INIZCTEOSA-N 431.378 4.919 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCc2ccc(Cl)cc2C1 1286831163 VKWYXEOXLOYCGA-UHFFFAOYSA-N 425.989 4.784 30 10 IJEE Cc1cc(-n2c(C)cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)c2C)no1 1299753779 HNZPHHPDXVAHSI-AWEZNQCLSA-N 430.430 4.964 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(=O)OC(C)(C)C 1300612333 ZFLHNQFGFIGXHM-UHFFFAOYSA-N 439.604 4.617 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1nc(C(C)(C)C)cs1 1300643082 OHDVWFPSQVKOTO-UHFFFAOYSA-N 425.577 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(F)cccc1Cl 1300900845 IUBYETGBYIHEHR-QFIPXVFZSA-N 436.959 4.562 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](CC)C1)c1ccccc1 1301003218 HHZJFIIFOIXBBH-KRWDZBQOSA-N 440.389 4.996 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1301096795 FPJSTUZOZSCDGM-LNRXMEIDSA-N 430.637 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNC(=O)[C@@H](C)CCC)CC1 1301111905 IYYVQOQDAZSDTA-SFHVURJKSA-N 435.572 4.646 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCCCCC[C@@H]21)c1ccccc1 1301164080 QCDFBAYFHHWKOG-ZLNRFVROSA-N 435.616 4.935 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccnc(OC2CCCCC2)c1 1301381239 XBMSVXUMQDDXHJ-UHFFFAOYSA-N 444.583 4.982 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@](C)(C#N)C1 1301528734 DTARHSYGOJJDBD-DEOSSOPVSA-N 448.958 4.737 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OCc2ccccn2)cc1 1305476523 GTCVZGKIRANYFR-IBVKSMDESA-N 444.583 4.944 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 1307235779 AYXSAOLONYFTDW-UHFFFAOYSA-N 437.546 4.891 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1ccnc1[C@@H](O)C1CCCCC1 1307369480 GOHTWJNEAPPCSD-QRWLVFNGSA-N 426.586 4.899 30 10 IJEE C#Cc1cccc(N(CCCOc2ccc(S(C)(=O)=O)cc2)Cc2cccs2)c1 1307561251 KPPFPABNWHDJKQ-UHFFFAOYSA-N 425.575 4.609 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)OC)c(Br)cc1C 1310707917 PCLMBUJMEURNTI-INIZCTEOSA-N 431.330 4.853 30 10 IJEE C=CCCSCCNC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 1311726320 IAQXHWQBGKBUMY-UHFFFAOYSA-N 426.508 4.616 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCCC(=O)Nc1ccc(Br)cc1C 1311798145 YVTPOYDRVXQVBM-LJQANCHMSA-N 444.373 4.573 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1 1313220263 UMMUWGJRTYRJQJ-JOCHJYFZSA-N 427.495 4.530 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)CC1 1315238912 GZXLTAYLBVTEAS-WIOPSUGQSA-N 437.588 4.561 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1352043188 IWSGGRFXZWQTNH-NRFANRHFSA-N 431.363 4.855 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C\c1ccccc1OC(F)(F)F 1353828944 KTTQAKOIJJWFHD-KHPPLWFESA-N 436.382 4.728 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1358908382 VIUSNAWUDHEYIE-WIYYLYMNSA-N 435.959 4.763 30 10 IJEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1358917697 YQZGYWLAIYMBRJ-SANMLTNESA-N 434.584 4.996 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(C)OCCc2sccc21 1359001490 WATKHBWUEZWQKH-NBGIEHNGSA-N 434.609 4.829 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1359050838 DWCQLHIIQUFWSH-QAPCUYQASA-N 433.419 4.699 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(C(C)(C)C)CC1 1359119139 WUJVDIFPGADLLJ-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359145720 ADKUDSUJNINAER-UHFFFAOYSA-N 443.382 4.689 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](Cc2ccccc2)OC)CC1 1359169355 DRPOHRRRJIULRS-YTFSRNRJSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1359205391 WERNMYJXVZLFFP-UHFFFAOYSA-N 441.664 4.986 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(Cl)s1 1359282372 YUFOACBXCVXWKJ-UHFFFAOYSA-N 438.931 4.549 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccc(F)cc1)C1CC1 1359290711 NAAHKVQPWWFUKI-FQEVSTJZSA-N 441.551 4.844 30 10 IJEE CC(C)c1csc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)n1 1359476258 AJVJJSPZZAZQKX-HNNXBMFYSA-N 444.992 4.735 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)CCCN1C(=O)OC(C)(C)C 1435893455 BAKVDDXWHAPEIF-QFIPXVFZSA-N 429.517 4.681 30 10 IJEE N#Cc1ccc(OCC(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc1Br 1436482155 HQBHVQHLABKQIJ-HNNXBMFYSA-N 439.231 4.782 30 10 IJEE C#CCN(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)[C@H]1CCCc2ccccc21 1439630006 ZRXIBAATOVORDE-QHCPKHFHSA-N 428.557 4.831 30 10 IJEE CCc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nc3ccccc3c2=O)cc1 1458789893 ASHSFBPTIYKLBM-QFIPXVFZSA-N 439.540 4.917 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cl)c(I)c1)c1ccc(Cl)cc1 1460792560 PJJNNVIOFJBVKA-OAHLLOKOSA-N 430.072 4.702 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)cc1 1465340729 XFHBGSSJGRXGCZ-YJBOKZPZSA-N 442.357 4.775 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CCOCC1 1466941758 PFYDVFHXIBBCNF-CQSZACIVSA-N 426.332 4.526 30 10 IJEE C#CCN(C(=O)NCc1cccc(COC[C@H]2CCCO2)c1)[C@@H]1CCCc2ccccc21 1470869501 IFRNOKQMCUURRM-AOYPEHQESA-N 432.564 4.605 30 10 IJEE C#CCN(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCCc2ccccc21 1470869985 CXFFBPFYEYYIRT-YADHBBJMSA-N 427.589 4.648 30 10 IJEE C=CC[C@@H](Sc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1C)C(=O)OC 1472935304 HVKZFDQZBFZUDK-QGZVFWFLSA-N 428.579 4.891 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2)c1ccc(F)cc1 1476584543 VSIJRAGOEXIWAQ-LJQANCHMSA-N 441.478 4.754 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1 1478272486 MEDOUCDEUPOOQV-WIYYLYMNSA-N 428.495 4.580 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 1478273406 WZVUULJRCYKTLH-UXHICEINSA-N 431.458 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1oc(CCC)nc1C 1507544616 YYHJQWLJDQNQTR-GOSISDBHSA-N 449.599 4.910 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COc2ccccc2)C1 1507556351 LJQMRFTVLJBWDP-IBGZPJMESA-N 435.959 4.702 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OC)CCC(C)CC1 1507618810 QMANYCHHXXBJKT-UHFFFAOYSA-N 438.616 4.819 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccccc1OC 1507783131 CELBUKSZYWRJPH-HKUYNNGSSA-N 447.377 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCn1ccnc1C 1507816199 WFROBYBNJPGBQI-UHFFFAOYSA-N 443.393 4.624 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1507845172 XPWYNGDTCUIVDA-GGAORHGYSA-N 440.588 4.505 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(COCCOCC)c2)CC1 1507881803 YWUGGVSDXMRTOY-UHFFFAOYSA-N 436.556 4.604 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)CC1)c1ccccc1 1507919341 CYZSJGURJWXWCU-IRLDBZIGSA-N 444.583 4.912 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1507925823 JDKVIXSSTHLQGM-SBUREZEXSA-N 448.970 4.868 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1507938413 BXQORIUKDPZWIP-UHFFFAOYSA-N 441.645 4.516 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507939242 NXFLYZDTVKTLKB-UHFFFAOYSA-N 436.522 4.703 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1507944796 YWRTUTZSEBRUPQ-DNVCBOLYSA-N 449.368 4.818 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1507967146 CFSPDYOLECNAHH-UXHICEINSA-N 429.584 4.547 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCn2ccnc21 1507986577 QHPQMGQTJWFGGO-HNNXBMFYSA-N 447.370 4.560 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1nnc(C)s1 1508008160 LFBDEEQOXMMQRU-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1nccnc1C 1508015474 XRMLJZCHXHLOIS-KRWDZBQOSA-N 434.613 4.651 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1512768560 AREVWZDOXUUQRO-PZGSVQSZSA-N 439.604 4.665 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)CCCC1 1513622550 GTZLFTQHYNWNIT-OAQYLSRUSA-N 437.588 4.562 30 10 IJEE COC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@@](F)(C#N)C2)CCC(C)CC1 1517922048 FWKLFFFVRGMGMM-VUQFPLBCSA-N 431.943 4.636 30 10 IJEE C#CCOCCC(=O)Nc1nc(-c2cc(C)n(Cc3ccccc3Cl)c2C)cs1 1523937168 PFWKBIYOQCDZKW-UHFFFAOYSA-N 427.957 4.909 30 10 IJEE Cc1cc(C(C)(C)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)ccc1Br 1527328801 HMYVVWHVWDATJK-MRXNPFEDSA-N 444.348 4.646 30 10 IJEE CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CCN(CCC(F)(F)F)CC1 1528341928 HZQIJTDAVACFJP-UHFFFAOYSA-N 445.485 4.626 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 1528518820 HBRFPJBRHDAWOF-VQTJNVASSA-N 436.581 4.930 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccccc1 1529949138 HQSSSVQSCFHYKY-HSZRJFAPSA-N 426.582 4.796 30 10 IJEE C=CCC[C@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)c1ccccc1 1530577739 GDJHMQXKOSWSMK-NRFANRHFSA-N 445.376 4.982 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc3c(CCC)cc(=O)oc3c2)CCCN1C(=O)OC(C)(C)C 1530806165 QSLUFKODWGYOKL-VWLOTQADSA-N 441.524 4.997 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 1536382177 FWTFCRQYDDIZDO-CJFMBICVSA-N 425.532 4.909 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[C@@H]2C)c1 1538178284 WHDXRQXMGCAQIO-ZWKOTPCHSA-N 447.000 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1C[C@H](C)O[C@@H](C)C1 1538984009 ZZNABXXYICFCRS-XSLAGTTESA-N 426.630 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1539035081 LZULCCDQPCULCZ-FIKGOQFSSA-N 433.021 4.743 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1539052910 WBSVLEWYMDZOLJ-DEOSSOPVSA-N 444.627 4.569 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1539587244 AGBCUZWLQOUGFF-GJZGRUSLSA-N 449.393 4.743 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2cccc(Br)c2)no1)c1ccccc1 1539645172 GWPUVTQNHWGTTG-SANMLTNESA-N 431.311 4.957 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1OC(F)(F)F 1539903715 CSGPHMLAGACQPM-MRXNPFEDSA-N 430.467 4.793 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1539963471 UZOMHDRFGASNTQ-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1540107893 FJQBYIWZFRRPOV-CQSZACIVSA-N 429.540 4.871 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(F)c1 1540143305 VNKKSKZPWUINDW-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1)C(C)C 1540146950 HBZPLQNDQNMAEQ-XMMPIXPASA-N 444.627 4.896 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1540910461 CIOALYKRONWYGR-FQEVSTJZSA-N 439.673 4.737 30 10 IJEE C=CCc1cc(CNC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)cc(OC)c1OC 1542445644 LQNWQOMIWWQQCC-UHFFFAOYSA-N 440.540 4.638 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 1544280122 RSHLSOQMEHZPJE-YCRPNKLZSA-N 435.442 4.881 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(CC(C)C)c3ccc(C(F)(F)F)cc3)cc2C1=O 1544929267 QMHYOGSZHIIMIB-UHFFFAOYSA-N 430.426 4.790 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](C)C1 1545281650 UWPPHJZRWVVYPX-QMHKHESXSA-N 438.955 4.905 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCOC1CCCCCC1 1554164948 CNBKFXUCSDWCNG-HSZRJFAPSA-N 437.588 4.767 30 10 IJEE C=CCN(CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1)[C@@H](C)COC 1559992599 DLUQYJFQRCGBNZ-QFIPXVFZSA-N 446.595 4.926 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 1562368848 DBNWZOLWYKBLMG-CXAGYDPISA-N 446.935 4.800 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 1565795920 HBTRKOMKGQAAHT-SFHVURJKSA-N 447.919 4.857 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 1567590417 YMCIMUVEBZQUAY-KBXCAEBGSA-N 443.371 4.526 30 10 IJEE Cc1ccc(F)c(-n2nc(C(=O)Nc3cccc(C#N)c3Br)c3c2CCC3)c1 1584225140 BDURPVLJCUDQIL-UHFFFAOYSA-N 439.288 4.695 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)c1sccc1C 1586012351 NBVZNQUIFFVPPQ-UXHICEINSA-N 426.582 4.763 30 10 IJEE C#Cc1ccc([C@H](OC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C(F)(F)F)cc1 1587315061 CMEFWFJAGBEZEL-NRFANRHFSA-N 445.437 4.863 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C#N)CC1 1587706671 RZWTWSMZJFBQMM-UHFFFAOYSA-N 426.568 4.896 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1587883459 BMWWRKYJJZNVPB-RTBURBONSA-N 426.630 4.898 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1588289089 XEEPVXLRPFAUDZ-DYESRHJHSA-N 445.007 4.908 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1CCC(OC)CC1 1589242856 MKJJSULHYWGSCU-AJEPASEPSA-N 436.600 4.671 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CCCOc1ccc(F)cc1 1589528171 CZURGBUNRFDMHL-DENIHFKCSA-N 428.552 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCc1ccccc1OC 1589547993 XHURHKOEUYGQFV-REWPJTCUSA-N 426.605 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(F)c1 1589608904 QGZDEFDOAHNSGW-UHFFFAOYSA-N 446.368 4.830 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CN2CCCCC2)cc1 1589657664 IOGSHLUCFOXSCB-DEOSSOPVSA-N 437.632 4.609 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2cccc(C)n2)CC1 1594192295 HFJNLRZPDQSRCN-LJQANCHMSA-N 435.547 4.906 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2O)C1 1594652046 VRMMEYNJTUIJIQ-UHFFFAOYSA-N 439.947 4.530 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](OCC(C)C)C1 1595859874 CBWFWRGCJHSCMW-HXUWFJFHSA-N 437.613 4.664 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@]2(C)CC2(C)C)ccc1Cl 1596745833 VSDNRRGZDRXQNN-HSZRJFAPSA-N 447.000 4.887 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C1CCN(C)CC1 1611146071 YBOUISAAXFYXBS-UHFFFAOYSA-N 445.332 4.550 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1 1617686874 AHTFKLHYYWGILJ-UTKZUKDTSA-N 437.540 4.883 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 1618673683 OGFVGDLHUMGLKD-CTNGQTDRSA-N 438.572 4.587 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)c1ccc(F)c(F)c1 1622047444 UWVVPEYDSZPIHU-INIZCTEOSA-N 436.705 4.976 30 10 IJEE COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 1623075293 GASQZINWKHAPJP-UPCLLVRISA-N 447.491 4.611 30 10 IJEE Cc1ccc(OCCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(Br)c1 1629718821 DHGMYBJMFBGZSV-ICSRJNTNSA-N 427.342 4.825 30 10 IJEE C=CC(C)(C)CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1636157233 SXQRINCIMLPXSR-UHFFFAOYSA-N 428.573 4.780 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c(Cl)c1 1636512767 QVNRMWATJDXTMN-UHFFFAOYSA-N 446.862 4.653 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H]2CSCc3ccc(Br)cc32)cc1OC 1640017021 NQPKETDHSSHLOZ-KRWDZBQOSA-N 434.355 4.740 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 1640329632 PXUXOTNGXFKQIQ-UHFFFAOYSA-N 430.485 4.544 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccc(Cl)cc1 1642103441 ZRUJKOSCMHIDRV-RBUKOAKNSA-N 434.870 4.675 30 10 IJEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CCCc1ccc2nc(O)[nH]c2c1 1644358041 FFVNSAWXJIZWEY-UHFFFAOYSA-N 427.464 4.597 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nnc1-c1ccc(F)cc1 1651636077 RWNNUHHNKZAVCE-GOSISDBHSA-N 446.910 4.960 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1)C(=O)OC 1652013051 MCZYRRFSXKGBSF-AWEZNQCLSA-N 445.566 4.738 30 10 IJEE C=C(Cl)C[C@@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)C(=O)OCC 1652125619 UGJRSTYVYWOJPV-CQSZACIVSA-N 443.960 4.513 30 10 IJEE C#CCN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCc2ccccc21 1653214222 CLKLEASPSRQKEW-IXCJQBJRSA-N 426.535 4.996 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1655201291 DYWQHERJHQBGGC-MRXNPFEDSA-N 434.361 4.562 30 10 IJEE O=C1C[C@@H](NCc2ccc(F)cc2C(F)(F)F)CN1Cc1ccccc1C(F)(F)F 1657128175 CFZGURRYFGGBJA-OAHLLOKOSA-N 434.355 4.754 30 10 IJEE Cc1ccc(Cn2nc(C)c(CNC3CCC(Oc4ccc(C#N)cn4)CC3)c2Cl)cc1 1661927986 FWDBDHINWBWLCY-UHFFFAOYSA-N 449.986 4.948 30 10 IJEE Cc1ccc(NC(=O)C2(CNC(=O)Nc3nc(Cl)c(C#N)s3)CCCC2)cc1C 1662548614 BTFKAHYCGMXMNL-UHFFFAOYSA-N 431.949 4.606 30 10 IJEE N#Cc1ccc(CCNC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 1670466198 CZLZVZWKYDXMKF-UHFFFAOYSA-N 436.874 4.967 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccccc1 1670774930 GNVXYGAMCYCGSW-HNNXBMFYSA-N 439.428 4.921 30 10 IJEE C=CCCCCCN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1673996468 KGMMDUBBUVJFLA-PXNSSMCTSA-N 425.976 4.629 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1 1676881451 XRQDISFDGLDOMM-IBGZPJMESA-N 431.330 4.994 30 10 IJEE C=C(CNC(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC)c1ccccc1 1677080097 GXAJIZUCUNSQLI-UHFFFAOYSA-N 426.467 4.947 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1)c1ccc(F)c(F)c1 1681778914 HVKLPWGIPVSWHF-SBUREZEXSA-N 429.511 4.679 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CCCC1 1682311381 DLEPVFBGMLCRPJ-XZOQPEGZSA-N 439.600 4.859 30 10 IJEE C#CCN(C(=O)NCC1CC(C)(C)CC(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1683876336 GEHKICOWIPSKPJ-UHFFFAOYSA-N 433.637 4.883 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1689919204 GEELODZYYACJKT-WOJBJXKFSA-N 430.955 4.935 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1csc([C@@H](C)OC)n1 1690266538 AHIOALNMLJOAFS-MRXNPFEDSA-N 429.565 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCO[C@@H]1CCCC[C@@H]1C 1690268472 MNFBKZCZUGCVCU-RBBKRZOGSA-N 436.604 4.514 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCCCN2CC)CC1 1690384329 NISKYSDLOCNSHO-FQEVSTJZSA-N 441.645 4.610 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2ccsc2)N(C)C)CC1 1690406764 RMTBTMOZPCGSQG-OAQYLSRUSA-N 437.613 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2ccsc2)nnc1[C@]1(OCC)CCOC1 1690439492 HFZFCSYDBWVWQU-CVDCTZTESA-N 430.618 4.936 30 10 IJEE C=CC[C@H](Cn1c(N2CCC=C(C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690447889 ZJCBLFNBWKWUCZ-BVAGGSTKSA-N 436.600 4.835 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690492175 OXLKPOPKWVCJSO-IBGZPJMESA-N 438.494 4.679 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1690541277 UXHILMJGEUUZRV-HDICACEKSA-N 429.012 4.516 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCC(F)(F)C1 1690615858 VEUWKRWLBCPFFK-SFHVURJKSA-N 434.531 4.808 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(OC2CCCC2)CC1 1690737761 WFZISMDYZCTRDG-UHFFFAOYSA-N 442.629 4.801 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F 1690745196 ZYDPEKLFISTOAS-KRWDZBQOSA-N 440.535 4.747 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCC1CC(OC(C)(C)C)C1 1705578580 YINXHJHGGUBIFS-UHFFFAOYSA-N 441.579 4.550 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1705600926 QHQVDNZINGLSEY-SANMLTNESA-N 443.639 4.619 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1705734785 BQRNSNCPTIUZRW-JOCHJYFZSA-N 437.632 4.629 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1cccc(C)c1 1705761806 BDJJCZJFHXAKRW-WOJBJXKFSA-N 432.996 4.773 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2Cc2cnc(C)s2)CC1 1705778581 BNUVHDLICDSTCJ-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1705788602 GKSQFZUHTZHXHG-UHFFFAOYSA-N 443.592 4.942 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1705821440 XCHJVVDRQFJFPG-VQTJNVASSA-N 429.634 4.774 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1705870813 YTSCXAPPNFWRIP-DENIHFKCSA-N 438.563 4.713 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1OC 1705870861 PLFAZUHQTIUUJA-UHFFFAOYSA-N 442.361 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC1CC(F)(F)C1 1705871079 XDTJEGRHUTYQMC-UHFFFAOYSA-N 429.334 4.993 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccc(C)cc2)N2CCCC2)C1 1705915744 LSXNUMNHOXJPGB-QPTUXGOLSA-N 437.632 4.718 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(OCC(F)(F)F)cc2)C1 1705917071 UBAGXPBFSAJLDP-APWZRJJASA-N 438.494 4.562 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(OC)C1CC1 1710133049 GPBPFKDQIAMPBO-DEOSSOPVSA-N 435.597 4.762 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1722321082 UZVOFDIMBMHQAZ-OAQYLSRUSA-N 445.592 4.805 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1CSC 1722325384 IQKVNVXLNPJYJU-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1ncc(C)s1 1722376246 ZABBKTNHVPKJBX-IRXDYDNUSA-N 449.649 4.773 30 10 IJEE C=C(C)Cn1c(N(C)[C@H]2CCc3ccccc32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553572 SZBJPBBJOVSOTG-ZVDOUQERSA-N 437.588 4.749 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2ccnc(Oc3ccccc3F)c2)CC1 1722583389 UQJORJLEBLZRRL-UHFFFAOYSA-N 437.519 4.592 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1722597842 SVEOUHICLUVACN-CTNGQTDRSA-N 442.629 4.721 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC(F)F)c(F)c1)C1CC1 1722650349 YFDNOPZGNIJOBX-UHFFFAOYSA-N 429.446 4.592 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCOC[C@H]1C 1722655145 GJPKKKFUOULBPP-XMSQKQJNSA-N 431.540 4.583 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722681755 ROMUTEBZUZJPEJ-PKOBYXMFSA-N 440.485 4.940 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC2(CCOC)CCCCC2)C1 1722714115 GSQZAEUJVAMGFU-FQEVSTJZSA-N 442.579 4.853 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCc2csc(C(C)(C)C)n2)C1 1722716687 WDAMFVPCVMMOET-FQEVSTJZSA-N 437.613 4.723 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nc(C)c(C)s2)C1 1722718116 PDXPRCYCFVMFLG-INIZCTEOSA-N 447.967 4.641 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCOC2)nnc1N(CCC#N)CCC(C)C 1724165899 BCARSVXAKDTQIG-LJQANCHMSA-N 449.521 4.924 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740567382 QTVIBNABYMMKSR-XXBNENTESA-N 440.563 4.756 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740576919 LSGLGPHCLATRNF-SANMLTNESA-N 438.616 4.517 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CC=CCC1 1740590313 KXODYADJECYOJJ-RTWAWAEBSA-N 441.620 4.599 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cc(C(CC)CC)no1 1740604658 DPUQQLCNIIKXJI-UHFFFAOYSA-N 427.936 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)Cc1cccs1 1740726976 VJKGFTGNEXPALV-UZUQRXQVSA-N 435.553 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1740759718 LAWCTNNDIBAFNV-ZLLBNUPZSA-N 429.634 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCSC1 1740769586 ZHPFFWMLHQHPIE-KRWDZBQOSA-N 446.617 4.517 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1740806667 DBVSHZBMLAYOKH-QGZVFWFLSA-N 434.968 4.500 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)C)CC1 1740868081 DCMHPMOGKHQDEY-QFIPXVFZSA-N 425.621 4.922 30 10 IJEE C=CCCCn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1740881224 BNQWMWDLZGILPL-JOCHJYFZSA-N 436.959 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(Sc2ccccc2)CC1 1740892358 FLROGDWALAATGO-UHFFFAOYSA-N 444.402 4.983 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCC(F)(F)C1 1740915519 JLMUWQHECABLCC-IBGZPJMESA-N 439.510 4.977 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1CCCn1nc(C)cc1C 1743928389 BMWKSOINGWCTIE-XMMPIXPASA-N 445.615 4.854 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CC2)CC1 1745847511 AHLXZSGPBODSBQ-NRFANRHFSA-N 437.588 4.704 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccs1 1747735890 HZFXQDDPEUBHLP-NHCUHLMSSA-N 435.597 4.815 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1748725050 QQYORARYMCTNRZ-QFIPXVFZSA-N 446.599 4.757 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C)(C#N)CC1 1748737108 XGNQODCNHKXWON-UHFFFAOYSA-N 430.581 4.921 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCc2sccc2[C@H]1CC 1749028520 AIUTUVFWCFTEKQ-LJQANCHMSA-N 438.622 4.895 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1749047539 YPVQGTBXKJBLOC-NRFANRHFSA-N 436.581 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCSC1 1749078502 LCEFLRKQAQSPJV-UQBPGWFLSA-N 438.641 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(COC)CCCC1 1749080889 XAYDXDAKGCNMGN-DNRQZRRGSA-N 442.648 4.786 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1749207960 WHOOEWYBTRORJD-KRWDZBQOSA-N 432.500 4.675 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCN(C(C)C)C(C)C)CC1 1749294171 QLDUUZAKPLNVMA-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1cnn(C)c1 1749416189 VSBMHPVLTIPLAQ-UHFFFAOYSA-N 433.585 4.713 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCSC2(CCCCC2)C1 1749459568 NIZLPJMSVLZECL-UHFFFAOYSA-N 444.620 4.857 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749474167 XWZRAQXIIVDYBT-UHFFFAOYSA-N 439.604 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1749564427 WFDJMPWPXNZUIM-BCDXTJNWSA-N 430.980 4.989 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749764112 RKMPRBFFSFFVEK-SFHVURJKSA-N 448.608 4.699 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCC1(F)F 1760111697 RMPCHVAZQHYLKZ-AEFFLSMTSA-N 425.483 4.884 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1760136961 MLKSIACRGOEHCC-NHCUHLMSSA-N 446.954 4.694 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760141549 YNKOXGNGQOZOEE-OAQYLSRUSA-N 449.624 4.852 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cscc1C(F)(F)F 1760164485 SZAKFQOTBVNKDV-CYBMUJFWSA-N 438.450 4.755 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760238239 NOZZGXXLVFLATH-LJQANCHMSA-N 433.625 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCC=CO1 1760290078 VVTFFRBRRYDNGZ-OPJGWUQDSA-N 436.556 4.502 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccccc1F)C1CC1 1760342372 JSFWZDPRFQPKQU-UHFFFAOYSA-N 444.352 4.930 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1760423171 SIPKMPSWLODNSL-SFHVURJKSA-N 442.585 4.804 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760423174 SLSWDUHMSMWBEP-UHFFFAOYSA-N 447.612 4.573 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760430049 XYOBNXQJTRZPDN-MOPGFXCFSA-N 432.012 4.786 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cccs1 1760486027 AHPSCGLIFJZRLQ-QFIPXVFZSA-N 437.594 4.563 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1ncc(CC)s1 1760491791 UKRHMSSAJRYLKM-UHFFFAOYSA-N 444.402 4.953 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H]2C[C@@H](OCC)C2(C)C)cc1 1760530025 ONSQVIAIKVKRRB-FCHUYYIVSA-N 435.572 4.526 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2oc(CC)nc2C)C1 1760537028 LJBYIUSLOGGNJC-NHCUHLMSSA-N 435.572 4.508 30 10 IJEE CN(Cc1ccoc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1768712297 DOFBACLCXCBSMW-QHCPKHFHSA-N 432.572 4.557 30 10 IJEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 1858899242 YBBSDIPQSWBNHF-UHFFFAOYSA-N 435.867 4.518 30 10 IJEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)c4ccc5c(c4)OCO5)cccc23)c1 1858929919 IYAOPTDJUQPRCR-UHFFFAOYSA-N 436.423 4.912 30 10 IJEE Cc1cc(=O)c(C(=O)Nc2sc3c(c2C#N)CCC3)nn1-c1ccc(Cl)c(Cl)c1 1859653419 JBNPSJYOQUOKHQ-UHFFFAOYSA-N 445.331 4.522 30 10 IJEE N#Cc1cccc(C(=O)Nc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccn2)c1 1860529977 XKLGRFMTHFIJOG-UHFFFAOYSA-N 432.483 4.725 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)Cc4cccs4)CC3)cc2)c1 1860671596 OUNCPHNSQBJOIW-UHFFFAOYSA-N 428.513 4.697 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)NC4CCCCC4)CC3)cc2)c1 1860673642 FROVUOISSNFLQD-UHFFFAOYSA-N 429.520 4.909 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862503931 IPZQPLXUCZJQQH-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1F 1862638807 KPWGQSXDYCCOOO-IQMFZBJNSA-N 447.462 4.879 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862643387 ONNOICFHTXQFMT-SFHVURJKSA-N 436.266 4.905 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCO)cc1 1862668808 IAGWJKJYZLZUMI-HSZRJFAPSA-N 437.536 4.560 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862688062 SUXVTMRFPOYTAK-XMMPIXPASA-N 443.499 4.661 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cc(Br)ccc1F 1862708711 BXPJNSIWMFUSHE-SFHVURJKSA-N 448.288 4.585 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 1866699767 GDQQHOSUJCVGSO-LOSJGSFVSA-N 440.547 4.593 30 10 IJEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1Cc1cccc2ccccc12 1870105001 VPNIFJIDMAZMBH-UHFFFAOYSA-N 445.910 4.801 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 1870136784 JLXNIRXXQBCZDC-UHFFFAOYSA-N 437.931 4.931 30 10 IJEE Cc1ccccc1Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C)CC1 1870348256 QFGJWLKCKNTXQL-UHFFFAOYSA-N 441.575 4.888 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(Cl)cc2C)cc1=O 1871007873 WVOZUXZXFIBKAB-UHFFFAOYSA-N 429.992 4.556 30 10 IJEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(CCc2cnc[nH]2)CO1 1871347210 HCIBHTSXZHQYEQ-SCDVKCJHSA-N 442.302 4.727 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C(C)=O)c4)ccc3C2=O)c1 1871438779 QXOHCFGQMLEZKG-MSXFZWOLSA-N 443.455 4.532 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872560218 WGQDUKMHFOLANK-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c1 1872778072 CPHXRYIFYZNTTO-LJQANCHMSA-N 436.533 4.872 30 10 IJEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCCOCCCC)C1=O 1873047781 MSQFNSPCSWYOSO-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Br)c2)cc2c(NCC(C)C)ncnc21 1873603230 ZJIWRNMRPICABI-UHFFFAOYSA-N 428.334 4.700 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(OCC)cc1 1874292109 MEWMEGQPPUYWRW-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccccc1[N+](=O)[O-] 1874314100 CHDTUGYQYFWXTE-OEAKJJBVSA-N 437.525 4.531 30 10 IJEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874400374 PEICOOVYDAZJHD-DTVDJLOLSA-N 438.553 4.616 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c(O)c1 1874416843 KRUPTTIRBJQCBM-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1O 1874421444 MLAUQAFSKNISAR-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874475330 UPXKBSVELPVDEE-OEAKJJBVSA-N 427.961 4.887 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(F)c2)cc1 1874487188 DNCSFAQIRDZOHO-AFUMVMLFSA-N 439.560 4.791 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C1CC1 1874518323 NYNJGRORGOJFAN-OEAKJJBVSA-N 435.509 4.803 30 10 IJEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3cc(C)ccc3OC)cccc2OC)o1 1874580764 FHMUMFFOILTCJC-PKNBQFBNSA-N 436.460 4.867 30 10 IJEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)cc1OC 1874587741 BGSWCPFBDOGGNF-YRNVUSSQSA-N 431.916 4.501 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(=O)OCCC 1874610489 VXMBSLRPTCAFPM-KPKJPENVSA-N 439.464 4.560 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875169529 LZZVIEOYVVZRKM-DUIUGDAFSA-N 444.911 4.955 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)COC 1875186071 CFFCYOAMDXQHSC-VQHVLOKHSA-N 430.884 4.534 30 10 IJEE C=C([C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[Si](C)(C)C 1923025982 CSIQOWRTUIUVQE-URXFXBBRSA-N 431.697 4.568 30 10 IJEE N#Cc1ccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)o1 1952878862 MGMVCDXYPNEHEP-NFBKMPQASA-N 428.444 4.548 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)cccc1Br 1986046313 PHQZQYLMIMEXLG-HIFRSBDPSA-N 448.199 4.942 30 10 IJEE N#Cc1cc(Br)ccc1N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2044066012 JYOXWNTXRVXVSX-TYCQWZJGSA-N 440.341 4.922 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1Br 2060547826 WFGAQQVPAVLYMM-CQSZACIVSA-N 431.758 4.578 30 10 IJEE CC1([C@@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C(=O)O)c2N)CC1 2079971025 ASHOLHCSPPIICU-GFCCVEGCSA-N 425.304 4.730 30 10 IJEE Nc1c2c(nc3c(-c4cc(F)ccc4C(F)(F)F)c(C(F)(F)F)nn13)CCSC2 2081479767 YGAQARCZKUCEJH-UHFFFAOYSA-N 436.356 4.945 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2154524694 BCYLFELUBWZCII-NRFANRHFSA-N 427.386 4.604 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 2159121179 QRKXZBVYTKAORN-HOTGVXAUSA-N 445.348 4.555 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 2159128823 WLKUCNPLSNBZBR-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1ncc(Br)cc1C#N 2162332786 ATFPFFWMFXYAAA-XJKSGUPXSA-N 435.366 4.601 30 10 IJEE CN(Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)o1)C(=O)OC(C)(C)C 2181146796 OTTXRJYNYKHWPZ-UHFFFAOYSA-N 434.290 4.533 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@H](CC(F)F)C1 2183416009 BYPXICMZWNXSHP-GFCCVEGCSA-N 448.283 4.541 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cn(CCCNC(=O)OC(C)(C)C)cn1 2218264056 NNHOAUOEPRRPKV-HSZRJFAPSA-N 442.604 4.612 30 10 IJEE N[C@H](C#Cc1ccc(Cl)cc1)c1cc(Br)ccc1I 2231095067 OBZHXLAGISTVEO-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@H](N)C#Cc2ccccc2Br)C1 2235723718 LMSQOFJIHPQOJK-LRXVAGHRSA-N 433.390 4.555 30 10 IJEE CC[C@]1([C@@H](C#Cc2ccccc2Br)NC)CCCN(C(=O)OC(C)(C)C)C1 2235724020 VBPAIASAHVXYHQ-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@@H](O)C#Cc1ccccc1Br 2235738843 CZBUROCJWBTVGR-ICSRJNTNSA-N 436.390 4.883 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2237825081 NZONTFFOOLJPJS-QRFRQXIXSA-N 435.406 4.720 30 10 IJEE Cc1cnc(NCCc2ccc(OCc3ccccc3)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241093777 VRCYVFWHVGPDLS-UHFFFAOYSA-N 444.384 4.923 30 10 IJEE CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255539858 FSBJVDFWGMSNOU-UHFFFAOYSA-N 438.418 4.546 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1F 2255607431 ZFCDYQBXGNIONF-OKILXGFUSA-N 434.317 4.984 30 10 IJEE C[C@H]1[C@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CC(C)(C)CN1Cc1ccccc1 2267455906 FMFGHIMLQZSVNF-PZJWPPBQSA-N 440.437 4.808 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267572839 ASVQQHCAXQAUPU-IKGGRYGDSA-N 442.365 4.646 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296215820 DURBUUFYTBMTLM-JUXOCIIHSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@@]1(C(=O)C#Cc1ccc(Br)cc1)C2 2296270387 ZDEQGHCJFLPYCM-SUWCGCSTSA-N 430.342 4.548 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296292820 CKHVGMRMWMXSKX-MOPGFXCFSA-N 435.406 4.718 30 10 IJEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3ccc(OC)cc3)c2)SC1=S 2297624815 QYKVAYHPZPFYLI-UHFFFAOYSA-N 441.574 4.930 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CCOCC1 2302435559 FNCBAGKCLGVAFC-GOSISDBHSA-N 437.581 4.522 30 10 IJEE C[C@@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317311683 UAOOKLDKHZTTPK-SJLPKXTDSA-N 429.370 4.536 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1OCC(=O)NCc1ccccc1 2322900952 GRDGGHDPVOOCLZ-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2322961369 BPHWWKFIHMDWBI-UHFFFAOYSA-N 431.419 4.928 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1cccnc1)O2 2323283050 GWBCGOLTGFLJGC-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3)c2)c(OC)c1 2323283457 QPKXWORQHWGCBQ-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OCC(=O)OC 2324706813 LWYPVDVLXPCASJ-UHFFFAOYSA-N 430.884 4.534 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325571607 OSEWATMAKBTIPX-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)Cc1cccs1 2325744719 QQESZEIIQCQITG-UHFFFAOYSA-N 436.485 4.572 30 10 IJEE COc1ccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SC)c(OC)c1 2326357918 FFQSCBYDDFELNN-UHFFFAOYSA-N 440.569 4.528 30 10 IJEE CCCOc1c(OC)cc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc1OC 2326589147 XKDGEVMXGCXMFI-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328576849 XGGJTEIMHXUYDL-UHFFFAOYSA-N 437.525 4.531 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cc(Br)ccc1O 2328870063 LRYIKFLTQCPVLB-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(F)cc1 2330819345 SQVMBHXJDRMRIK-UHFFFAOYSA-N 443.523 4.758 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccn2)cc1C 2331029959 ITVHYPGEGGODPL-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331396783 DDSVQYFGKYHWMH-UHFFFAOYSA-N 430.456 4.511 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2c[nH]c3ccccc23)c1 2331436464 WNMLNTIMVKXGGR-UHFFFAOYSA-N 446.580 4.879 30 10 IJEE CC[C@H](NC[C@H](C)N(CC)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338523354 OJERMUQQSIJOAT-RXVVDRJESA-N 446.441 4.672 30 10 IJEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2339597971 WNPMEGIAJSSCAE-JKIKYLSZSA-N 443.397 4.562 30 10 IJEE Cc1cc(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)sc1Br 2364756348 UKLIDKCLGHJQGE-UHFFFAOYSA-N 433.180 4.602 30 10 IJEE C[C@@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1cccc(Br)c1 2364849221 OURIWGSOYZTMLH-GFCCVEGCSA-N 437.574 4.970 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)C#Cc1ccn(C2CC2)n1 2366110036 YEVDTUZDFIZWGA-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE C=CCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(OC)cc1Cl)Nc1ccccc1-2 2073661 XLVZQKJKUUUPFD-IBGZPJMESA-N 442.928 4.990 30 10 IJEE CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C/c1cccc(Br)c1)C2=O 2440236 YCUCWFQXDLNNKL-VCHYOVAHSA-N 431.282 4.786 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2ccc(O)cc2OC)C1=O 36258214 LVMVQUFVABBOSV-RQZCQDPDSA-N 431.897 4.598 30 10 IJEE CC[C@@H](Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n([C@@H](C)c2ccccc2)c1O 38623242 JUOHCXJJXZGDRJ-OXJNMPFZSA-N 434.467 4.523 30 10 IJEE Cc1cc(Br)cc2c1N(CCOc1ccc(C(C)(C)C)cc1)C(=O)/C2=N\O 39854036 YCPRKQMEFBYWJU-NKFKGCMQSA-N 431.330 4.659 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2c1C(=O)/C(=C/c1cccs1)O2 41585079 RUZGZXBMTHBKOB-JCMHNJIXSA-N 432.545 4.701 30 10 IJEE COc1ccccc1/C=N\N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccco1 47138424 SCRWRRZHQZYACR-ZJHZAIRNSA-N 435.480 4.934 30 10 IJEE C#CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(OC)cc2)c1 64797156 CBABWOUHKSNDJD-SFHVURJKSA-N 433.485 4.608 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)C)cc1 103104871 MUJQIMGPFHXIBT-UGUGFTGJSA-N 438.543 4.713 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(C)C 169906648 LXCFMHVWRVMENQ-FSJBWODESA-N 438.977 4.703 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2cccc(F)c2)c1 169928772 CIJTYLQHAKMKLA-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2cccc(F)c2)c1 169928997 ASUVHXIXKCRRAK-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(Cl)c1OC 169942539 DQDIPZXPRAMOQG-YVNNLAQVSA-N 430.917 4.885 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc(F)cc1 170041506 LFSNIDHIBHLFOK-IBGZPJMESA-N 427.815 4.556 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(N4CCCCC4)cc3)=C(c3ccccc3)C2=O)cc1 170129163 GPLGTLQHUMSHRV-UHFFFAOYSA-N 448.526 4.945 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1cccs1 170166178 JVOWDLAOPUEWJU-HXUWFJFHSA-N 443.565 4.767 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)ccc1Cl 170167913 WAYMOBKKVFFSCT-LJQANCHMSA-N 440.908 4.584 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4cccc(OC(F)(F)F)c4)CC3=O)n2)cc1 170179916 UKUCWOFPMNPETB-UHFFFAOYSA-N 431.439 4.734 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1ccc(Cl)cc1 170236115 IBYWKNLTOJCAEA-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170244870 HNNPZLXDBWGDPN-JOCHJYFZSA-N 441.499 4.573 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265853 YUMHWCDSDZWVBH-WMZHIEFXSA-N 431.488 4.753 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)c(OC)c1 170289341 QUKNURRCXVOLLF-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170362539 ZKDHSDDWVRFYSY-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)c1 170393990 VHDRNTNLTQDXPK-DEOSSOPVSA-N 438.483 4.970 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 170418075 OSYIZLOWZSGEPU-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE N#Cc1ccc(NCc2ccccc2-n2cccn2)nc1NCc1ccccc1-n1cccn1 302873776 DKOCYPSPMNIGTD-UHFFFAOYSA-N 446.518 4.549 30 10 IJEE N#Cc1cc2c(nc1SCc1nnc(-c3ccccc3Br)o1)CCCC2 302932996 GKOFDSKNSFYBEY-UHFFFAOYSA-N 427.327 4.937 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCC 407841324 ZKZFETFATKHRLQ-IAGOWNOFSA-N 429.374 4.968 30 10 IJEE CCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)Cc1ccc(OC)cc1 429930507 UTZGZDIKYKZCRL-QZTJIDSGSA-N 439.581 4.508 30 10 IJEE CC(C)Oc1c(Cl)cccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446191087 GPQZAWCKWATVKW-UHFFFAOYSA-N 428.920 4.906 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 460779265 CDYSYNWCRMQLCD-WMZHIEFXSA-N 430.508 4.601 30 10 IJEE C=CCN(C(=O)Cc1cccc(CC)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 508147139 HOBTWXFZAFKGML-UHFFFAOYSA-N 440.590 4.538 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](CC(F)(F)F)C1 508863765 JNYYNTCHFWVONW-CYBMUJFWSA-N 445.283 4.584 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(CC)CCc1nccs1 517203891 GDFZHGOYXAZKHJ-UHFFFAOYSA-N 436.354 4.558 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccc2C(=O)O)cc1 526605383 WQEUNQHWFKPDLO-QHCPKHFHSA-N 440.455 4.712 30 10 IJEE CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)[C@H](C)n3cnc(C#N)n3)nc12 537304640 VFYRCBAWRWQLJR-INIZCTEOSA-N 430.537 4.677 30 10 IJEE C[C@@H](c1nc(O)c2c3c(sc2n1)C[C@H](C)CC3)N(C)CCOCc1ccc(C#N)cc1 558172995 ODZQZDKTLYOHTM-CVEARBPZSA-N 436.581 4.603 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 559028472 ZSOJYZLIAFSAAL-SFHVURJKSA-N 438.557 4.887 30 10 IJEE CC(C)(C)c1csc(NC(=O)c2cccc(NC(=O)NCc3ccncc3)c2)c1C#N 586638908 XZTWZGZLEZIJFC-UHFFFAOYSA-N 433.537 4.886 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4cccc(F)c4)cc3C)cc2C1=O 590249315 GJNPYWPNWGTUEU-UHFFFAOYSA-N 444.462 4.747 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 619741946 YRUJXZGINCNOIS-VWLOTQADSA-N 431.515 4.979 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 699582263 KXQJCQYIVNODMW-YADARESESA-N 445.560 4.655 30 10 IJEE C=CC[C@@H]1CCCCN(C(=O)c2cc(I)ccc2Br)C1 703669517 GAZJACLBYVILBT-GFCCVEGCSA-N 448.142 4.872 30 10 IJEE CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1nnn(-c2ccccc2)c1C 747610741 HLQHAUUMXYWGDS-UHFFFAOYSA-N 434.507 4.660 30 10 IJEE COc1cc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 756233476 LKNGCHSLVHZPKH-IBGZPJMESA-N 430.460 4.766 30 10 IJEE CC1(C#N)CCN(Cc2c(O)ccc3ccc(O)c(CN4CCC(C)(C#N)CC4)c23)CC1 779879357 LSSAFDSNHGPAMR-UHFFFAOYSA-N 432.568 4.502 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)[C@H](C#N)c1nc2ccccc2s1 796755447 WKCPVFHZHONJQZ-AWEZNQCLSA-N 429.295 4.517 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1OC 798108933 KXIWTQOPDVYITD-RJGXRXQPSA-N 429.520 4.885 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCCCF)C2=O)cc1 812221337 JREVKTWKXDLGGG-FQEVSTJZSA-N 441.528 4.599 30 10 IJEE CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)o2)cc1 913364499 BVTSKXGUOUWVKK-AUDXORNHSA-N 436.508 4.625 30 10 IJEE CCOC(=O)c1c(N=Cc2cc(Br)c(OC)cc2OC)sc2c1CCC2 1084065324 LCDJCJUMOFNOFP-UHFFFAOYSA-N 438.343 4.944 30 10 IJEE C#CCOC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 1084642654 VCMHIMIUSPEMSW-TWGQIWQCSA-N 435.701 4.880 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 1127177034 WXPXJDLNCXOPJG-CLOOOTJHSA-N 437.471 4.648 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)C(C)(C)C 1129616458 QSSSEBUUXQJEJI-IBGZPJMESA-N 427.342 4.788 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccn1C 1137017038 SLOBKZNBBNFNOH-VWLOTQADSA-N 443.547 4.515 30 10 IJEE C#CCN(Cc1cc(C(=O)OC)c(C(C)C)[nH]1)[C@H]1CCOc2ccc(Br)cc21 1180291559 CYGYQLKBBIITBO-IBGZPJMESA-N 445.357 4.646 30 10 IJEE CN(Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 1198015935 CMDFBMQXYHLADV-XMMPIXPASA-N 441.535 4.778 30 10 IJEE C#CCN(C(=O)Nc1ccc(C)c(-c2ncco2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1201699569 AOVHZEOFBMZHBE-UHFFFAOYSA-N 438.528 4.517 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1)c1ccc(C(F)(F)F)cc1 1206282691 NREIKQDBNADBOG-AZUAARDMSA-N 433.430 4.759 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2cc3ccc(Br)cc3nc2Cl)CC1 1207827351 YIZDNRGZDNXOFM-UHFFFAOYSA-N 437.769 4.813 30 10 IJEE O=C1NCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1ccccc1C(F)(F)F 1214947463 BUMNBAPUPBIIOW-OAHLLOKOSA-N 449.326 4.568 30 10 IJEE Cc1cc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)ncc1C#N 1219692168 DGNBKWZSYWGHLF-DEOSSOPVSA-N 445.954 4.854 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 1227880175 GNJCHVIAYAMMDG-UHFFFAOYSA-N 445.604 4.724 30 10 IJEE C#CC[C@@H]1CCN(C(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1 1228393945 USFDBNCZCUHSSZ-HUUCEWRRSA-N 432.387 4.997 30 10 IJEE C=CCC1(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)CCCCC1 1264511831 DSZIXSWSHIVCGK-UHFFFAOYSA-N 433.599 4.526 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)C[C@@H](C)O[C@H]2C 1269568039 HZWOIKLXOMFVJF-OLZOCXBDSA-N 442.537 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1286278117 LKFUOJWICOSNKT-VCAKUFKGSA-N 442.579 4.999 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCC[C@H]1CC 1286422942 GTQXPFINSAITEJ-RUZDIDTESA-N 445.655 4.970 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC=C(C)C1 1286499256 PPIQJLTZLJRTHN-UHFFFAOYSA-N 431.403 4.539 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCSC1 1286500962 IITCGFWFLJUPNU-CQSZACIVSA-N 427.426 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](CCC)C1 1286550920 KCSKNVYDBBMUIV-JBACZVJFSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1286572210 ZCYMUHSJDDODAQ-NFBKMPQASA-N 434.588 4.594 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(C)C)CC1 1286613037 NYQWCCSFGYCFIO-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 1286689112 JHFSDUFIBRAVAF-UHFFFAOYSA-N 427.612 4.923 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H](c1cccs1)N1CCCC1 1286730748 MNVGJDWDXILLEF-OAQYLSRUSA-N 437.613 4.686 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[S@@](=O)C(C)(C)C)C1CC1 1286732117 KISXGUBTLPMPCB-QPHCHLROSA-N 444.645 4.737 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286771567 YIOZGPCPZHGJHZ-MSOLQXFVSA-N 449.393 4.542 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H]2C(C)C)cc1 1286796021 HNPCHMCMYIZUQY-JOCHJYFZSA-N 437.613 4.872 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H]2C(C)C)s1 1289636951 IEDMLGBJTUTHCR-IRLDBZIGSA-N 435.597 4.884 30 10 IJEE C#CCCCCCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1290617500 UWLGJMJJNJATPY-SFQUDFHCSA-N 439.364 4.730 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C 1296955873 NDMKTZGRHBDFJC-INIZCTEOSA-N 439.343 4.809 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 1299726368 SCNKYVTVTAOFLK-LJQANCHMSA-N 435.590 4.768 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CC2(C)C)c1 1299966496 FXJYJYBINRZUGE-UONOGXRCSA-N 432.366 4.501 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(OC)C1 1300348673 MZKQOJFKNJIHHR-MHECFPHRSA-N 426.630 4.940 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CCN(CC)C(=O)OC(C)(C)C 1300601274 FILVEQXBJQUATC-NRFANRHFSA-N 439.604 4.537 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC(CC)(CC)OC 1300604944 QTVBHZRIYAQPBI-UHFFFAOYSA-N 437.357 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C)C(C)C 1300906048 ZBIGOOSOXHGZSD-UHFFFAOYSA-N 434.426 4.759 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccc(F)c(Cl)c2)CC1 1301129463 UMJSXCCREZOJAJ-UHFFFAOYSA-N 441.938 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301160218 NZEOOUZWPCETEY-FGZHOGPDSA-N 439.648 4.995 30 10 IJEE C=CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC1)c1ccccc1 1301163690 LVPWPZZGPCZHLH-QGZVFWFLSA-N 426.362 4.996 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccccc1 1301359197 GSRXJWJKXWLZIO-XMMPIXPASA-N 431.565 4.502 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1)C(C)C 1301367427 NXZPGVGGENAYRQ-KNQAVFIVSA-N 444.023 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1Cc1cn2ccc(C)cc2n1 1301396827 GLOGMRFBDSPWSO-UHFFFAOYSA-N 442.567 4.657 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](CCC)OC)C1 1301543049 UNTZGLAACBNURY-VXKWHMMOSA-N 426.605 4.839 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CCC(C)C)n2Cc2ccoc2)cc1C 1304374308 CQAHZERGCQQXLR-UHFFFAOYSA-N 434.544 4.555 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO)c1ccccc1 1306502191 YGSQZBDOCAQCSW-MRXNPFEDSA-N 440.341 4.603 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1307281358 PSESZAMFFJDEBX-NJDAHSKKSA-N 448.677 4.589 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 1307594496 FKOJLRGSCXWMIB-QNBXZPKWSA-N 442.551 4.661 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)CC1 1307673995 CEIYYWWMFPGGPN-SFHVURJKSA-N 446.313 4.565 30 10 IJEE N#Cc1ccc(CN2CCN(Cc3ccc(Br)cc3C(F)(F)F)CC2)cc1 1308648663 BMGDPNJWUQSWJC-UHFFFAOYSA-N 438.291 4.657 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C)c2nc(-c3ccccc3OC)no2)cc1OC 1308738578 MLONCYKYSGIVTI-AWEZNQCLSA-N 429.904 4.823 30 10 IJEE C[C@@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1310210513 AQWNDHVTFLIKAM-QGZVFWFLSA-N 431.471 4.627 30 10 IJEE COC(=O)CC1(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCCCC1 1310248339 IAKQAHLRBWWPAJ-UHFFFAOYSA-N 439.487 4.664 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)CC1 1315251133 HWDLPEKCQSWMNO-RUZDIDTESA-N 439.604 4.950 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1(OCC)CCCC1 1358998365 BZWMWEBOIXRTHI-UHFFFAOYSA-N 436.625 4.691 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@H]1CCCCC(F)(F)C1 1359017903 VVYFZOSGQULSTD-IBGZPJMESA-N 434.506 4.809 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1359076637 HUBQMHNNGGYQGE-HNAYVOBHSA-N 433.394 4.841 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1359117930 DLXPUZOHNJMOSH-SFHVURJKSA-N 427.911 4.757 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1359128731 DPLFFMRSBMOBBQ-IBGZPJMESA-N 426.605 4.839 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1359161000 MEXMDDYQKYBAOU-IIBYNOLFSA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2cc(C)ccc2OC(F)F)CC1 1359176542 DULMTBDNZPAJGK-UHFFFAOYSA-N 425.483 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)OC(C)(C)C1 1359184569 SNJLQTRFQYFULF-AWEZNQCLSA-N 436.398 4.642 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1359227260 XRVBKGMVRRIVFE-UHFFFAOYSA-N 445.007 4.670 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCn1ccnc1C 1359232675 AQMZPCDBIJTTME-UHFFFAOYSA-N 433.585 4.594 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1Cc1cccc(COCC(F)(F)F)c1)C1CC1 1359248898 GXMLSHZOLNYCKY-UHFFFAOYSA-N 443.473 4.622 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@H]1C)C1CC1 1359254469 SIHPFIBWSJRWOY-ZSYWTGECSA-N 429.609 4.640 30 10 IJEE C=CCN(C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1435899993 MLWBBPSEWGNJLX-SFHVURJKSA-N 441.396 4.786 30 10 IJEE CC(C)(C)OC(=O)COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc1 1436866714 GYMRDCBFFDOSDD-UHFFFAOYSA-N 443.503 4.521 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@H]32)s1 1437896907 NVQBGKZYOYEQKQ-BMGDILEWSA-N 425.406 4.947 30 10 IJEE C=CC[C@H](CO)CNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1447031050 XNZKDLDOPRETDO-HNNXBMFYSA-N 425.326 4.579 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1OC 1457560931 FHBSGBRTDBSPAK-XCHRBARXSA-N 434.580 4.546 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)c1 1459856549 IQYNVAPGELJHQB-HXUWFJFHSA-N 431.458 4.712 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2cccc(NC(=O)C3CC3)c2)n(-c2ccc(C#N)cc2)n1 1459992669 HMBRHJFMMJKVJJ-UHFFFAOYSA-N 427.508 4.642 30 10 IJEE Cc1nc(O)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1Br 1464185610 ACJCPFCOUGJJFN-UHFFFAOYSA-N 438.281 4.561 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)s1 1465915170 DYWNFFULHCNWTJ-QAPCUYQASA-N 436.046 4.618 30 10 IJEE Cc1cc(C(F)(F)F)nn1CCNC(=O)Nc1ccc(F)cc1OCCC(F)(F)F 1466307965 CBVTUIVXNFBQOX-UHFFFAOYSA-N 442.335 4.502 30 10 IJEE C#CCN(C)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1468546296 RICZQDYYXYTUQB-UHFFFAOYSA-N 448.570 4.891 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 1470653041 NJWQCOZPKBVAKK-AREMUKBSSA-N 425.528 4.629 30 10 IJEE COc1cc(C#N)ccc1OCCN1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 1473243320 HCQXHQCKTGJVCD-FQEVSTJZSA-N 441.531 4.635 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(O)CCCC(C)(C)CC2)cc1OC 1474233271 VYXAUWOQSAEZEU-NRFANRHFSA-N 426.395 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1C1CCCCC1 1507544116 SJFIPZUAOKNYIT-LADGPHEKSA-N 449.643 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1507760718 FODJNAHUXKWOOG-ZYLNGJIFSA-N 440.035 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H](c1ccccc1OC)N1CCCC1 1507773743 VYDGMYCKBNKYOZ-AJTFRIOCSA-N 449.643 4.705 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@H](CC)C1 1507779648 DPYWKKBPTPBPLG-TZMCWYRMSA-N 443.748 4.650 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1c(C)noc1C 1507794043 GGYXDEUNJSSEHP-JTHBVZDNSA-N 435.572 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CN(C)CCCC)CC2)nnc1C(C)(C)C 1507811246 PCQHDOYSNIZQNH-VXKWHMMOSA-N 431.669 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC(F)(F)F 1507814185 DVZDDSDACAERBA-UHFFFAOYSA-N 432.874 4.936 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1noc(CC)n1 1507816071 VNNNBLJEOKLIFY-UHFFFAOYSA-N 440.617 4.866 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507824389 AIJVWUCMAQJRTF-GFOJFJKKSA-N 445.007 4.983 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507915956 HSWVDGYRRZTJCH-SFTDATJTSA-N 426.609 4.777 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1507916196 LQWJPJPUDYCRMJ-IRXDYDNUSA-N 430.515 4.670 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1COCCO1 1507929531 RQTPRNYAIWYICX-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1507935650 SAFBQPVHDXFGQL-UHFFFAOYSA-N 442.629 4.735 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1507947134 WBYLUQSSSFDWBN-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CC[C@H]1C[C@H](F)C1 1507995909 DRAUYSPRLWYVJF-NJDAHSKKSA-N 428.552 4.512 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC2CCCCC2)CC1 1508052052 XUPKTYOPLXRFFU-LJQANCHMSA-N 444.023 4.960 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1508075818 BHMKZXOPPAVLBB-HHHXNRCGSA-N 447.627 4.872 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1512137951 CQGIDWFNHLHOBL-URFJDIBFSA-N 437.588 4.559 30 10 IJEE CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)NC(=O)OC(C)(C)C 1515746049 AFBKRSNPXKTSSX-IIBYNOLFSA-N 438.528 4.869 30 10 IJEE Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1N1CCOCC1 1523820729 CCBGGEHTYUFGNP-UHFFFAOYSA-N 431.467 4.887 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 1524102644 JDSKUJITFVCOOS-UHFFFAOYSA-N 429.402 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 1524517110 XLXVVJZXXCURNM-NDXORKPFSA-N 448.332 4.806 30 10 IJEE C=C[C@@H](CC(=O)N(CCCn1ccnc1)c1ccc(Br)cn1)c1ccccc1 1529469251 GMRGFEQSYUIYAR-SFHVURJKSA-N 439.357 4.824 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C 1531576239 VFKZQQPQUKQXSM-NRFANRHFSA-N 440.515 4.682 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Br)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1533613200 AOHTWDIGECHJKF-HXUWFJFHSA-N 439.350 4.742 30 10 IJEE C=CCN(C(=O)c1cc2cccc(Cl)c2nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1537325082 IHGWXLOSAALTNO-QFIPXVFZSA-N 436.939 4.999 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1)c1ccccc1 1537974272 DOIOMOXTLCIFRL-BKMJKUGQSA-N 448.607 4.827 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCCC2(CCOCC2)C1 1539109418 OLMMAIGCIQTEMI-UHFFFAOYSA-N 443.389 4.518 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCN(CC(C)C)C1 1539155077 RDQKNHQBODAUAQ-FQEVSTJZSA-N 439.673 4.713 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)C(F)(F)F 1539240088 WWUMGYZZQGHWOY-HNNXBMFYSA-N 438.881 4.733 30 10 IJEE C#CCSCCn1c(N2CCC[C@@H](C(F)F)C2)nnc1C1(c2ccccc2)CCC1 1539530981 QFNYGYKWYCUXAP-GOSISDBHSA-N 430.568 4.596 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@H](SC)C(C)(C)C 1539563830 RGCKNADHRJPXLG-GBXCKJPGSA-N 426.630 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nc(C)c(C)s1 1539570352 TUXJGSYNKKIXPG-DRMXPCRNSA-N 441.645 4.505 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(COC)CC1 1539624877 WVDOSKOQZKHQQK-DYESRHJHSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(Cc1cccc(F)c1)C(C)C 1539627670 KUBGJYYHAJHKRH-GMAHTHKFSA-N 435.547 4.875 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](c3nc(CC)cs3)C2)nnc1C(C)(C)C 1539639797 BJSJWZDVXQUURO-BJLQDIEVSA-N 443.661 4.960 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCCCO1 1539728038 BUHNQKCYYNLRIC-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539835658 HLMVAWZQIODWJM-QHCPKHFHSA-N 432.515 4.644 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCCCC2)CC1 1539836314 QECZEHVCGQDQJQ-UHFFFAOYSA-N 449.368 4.698 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)c2ccsc2)CC1 1539874356 DRVHOQIRPQUQQK-QFIPXVFZSA-N 428.989 4.970 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)C)CC1 1539982250 SDFYUGUMUWBWGX-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2[C@H]2C[C@@H]2C)C1 1540895157 MIRKLMVSLZAJSJ-DBVUQKKJSA-N 430.980 4.614 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C2CC(C(C)(C)C)C2)C1 1540896321 KELNSZATBAYKNI-SOAGJPPSSA-N 440.588 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC[C@H]2C)C1 1540896456 MEPSFQRFQFDDSQ-VAMGGRTRSA-N 442.629 4.797 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC[C@@H]1C 1547999042 BEWKHAZNAVOILD-FPOVZHCZSA-N 437.588 4.822 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc(NC(=O)NCCC)cc1 1556968038 UENCKUBLEBMPAC-UHFFFAOYSA-N 446.345 4.727 30 10 IJEE C#CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CC[C@H](C)C3 1559325640 TUQTUAIJTTVDAC-HNNXBMFYSA-N 438.618 4.931 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3)C(=O)OC 1559328495 CYARKQHTFZWBHN-INIZCTEOSA-N 426.563 4.536 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccc3ncccc3c2)cc1OC 1560589844 DZRPSIOUWHHBFG-UHFFFAOYSA-N 427.342 4.903 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)cc1OC 1561033715 VJDGILAIHDSNKI-GOSISDBHSA-N 444.959 4.773 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 1561647003 QHLMRKBXQAXMPS-GOSISDBHSA-N 431.504 4.949 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1564188445 HIFDKIDYKHSPOD-OAQYLSRUSA-N 432.561 4.610 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1 1585090276 WQJUCCPWJNKPIB-UHFFFAOYSA-N 438.936 4.707 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C#N)cn1CC 1585297747 IAVAQQJLDFJCTQ-KRWDZBQOSA-N 443.503 4.530 30 10 IJEE N#Cc1cccc(NC(=O)C(F)(F)c2ccccc2Br)c1Br 1585444369 CRFZLOARGHLAAB-UHFFFAOYSA-N 430.046 4.814 30 10 IJEE CN(C)Cc1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 1587087474 DHAVXXUJEWFXLJ-UHFFFAOYSA-N 438.343 4.942 30 10 IJEE CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2(C#N)CCCC2)c1 1587277076 FDKKEZQIGSQIOT-UHFFFAOYSA-N 425.554 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccco1)N1CCCC1 1587679297 ZRWPSTUIDUAEHQ-RBBKRZOGSA-N 449.624 4.767 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(OC)CC1 1587705335 BHQZRRLSVMQNJC-CYFREDJKSA-N 428.552 4.756 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CC=C 1588604628 NJJNDIITQJXNSM-UHFFFAOYSA-N 445.405 4.704 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(CC#N)CC1 1593851695 BDYCBJAMFDJYNJ-UHFFFAOYSA-N 429.952 4.625 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@](C)(CC)C1 1594572622 HQDYNLLAINLWDY-QHCPKHFHSA-N 444.649 4.529 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)CC1 1594798322 QBPWTJOJMBCKPD-UHFFFAOYSA-N 441.320 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCSc1ccccc1 1595156937 SNSZOWPOFSFTPC-UHFFFAOYSA-N 436.610 4.725 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1ccc(Br)s1 1595366776 NSUGOIBEURJWKR-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[S@](=O)c2ccc(Cl)cc2)cc1 1610944968 AMXNKJXTNZNVBN-PMERELPUSA-N 440.908 4.759 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1611768660 AGBUHGQGGIGHLI-LVCYWYKZSA-N 432.494 4.688 30 10 IJEE C=CCn1c(SCCCOCC(F)(F)F)nc2sc3c(c2c1=O)CCCCC3 1613118312 NVVNTCUHXAUPNB-UHFFFAOYSA-N 432.533 4.974 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC#N)c1ccsc1 1615369731 AFASOTWWSOWOCA-NQIIRXRSSA-N 437.617 4.532 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SC)C1)C(C)C 1616087650 FUAYNDHTCFDPNB-FGZHOGPDSA-N 441.645 4.990 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1cc(-c2ccccc2)no1 1622268942 HLQKETGCLIWCSR-OAHLLOKOSA-N 449.454 4.604 30 10 IJEE C=CCn1c(SCC(=O)NCc2c(F)cc(C)cc2F)nnc1-c1ccc(Cl)cc1 1626651203 CICCXXNSANEXRI-UHFFFAOYSA-N 448.926 4.780 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 1627515191 YGWKJPZFQKAOGJ-HXUWFJFHSA-N 436.556 4.775 30 10 IJEE C=CCc1cc(CNC(=O)c2nn(-c3ccc(CC)cc3)c3c2CCC3)cc(OC)c1OC 1631479288 FNRGFLZKDVAPDX-UHFFFAOYSA-N 445.563 4.599 30 10 IJEE C=CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 1634303163 YAOZKWJOJMDFTH-BSKAQADGSA-N 443.503 4.687 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(CC)cc1)C(=O)OCC 1636816994 SUYBRTPDHMHWNV-QHCPKHFHSA-N 431.536 4.729 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O)c1ccccc1 1638029676 OTSCMSDSCZYNDA-AJSBUHFISA-N 428.598 4.866 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)c3ccc(-c4ccccc4OC(F)(F)F)o3)C2)cc1 1638196254 BOPHWRBJJRLUOM-UHFFFAOYSA-N 428.366 4.620 30 10 IJEE C=CCO[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)C1 1642388895 TYEKQKYROORDOG-FQEVSTJZSA-N 430.932 4.746 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(Br)c1 1645819761 WQBKFJGMIBACIH-UONOGXRCSA-N 425.367 4.904 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1 1652304613 MORZYELEFVHGPQ-IBGZPJMESA-N 443.572 4.717 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)[C@@H](CO)c3ccccc3)c2C#N)C1 1652437296 CWCCWDACIAATIG-NQIIRXRSSA-N 439.625 4.765 30 10 IJEE C=CCCC[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 1654659430 ANINFIYJIZMVDD-NQIIRXRSSA-N 445.485 4.980 30 10 IJEE C=CCN(CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1cc(Br)ccc1F 1657158326 OGLHRDQRMAEIAT-UHFFFAOYSA-N 441.728 4.877 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccc(Cl)nc2)cc1OCC 1661684914 JDPZKCJOTSFMSS-UHFFFAOYSA-N 425.754 4.793 30 10 IJEE C=C[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1665492999 VDCDUJIILDRCMS-QGZVFWFLSA-N 431.558 4.514 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1Br 1666774457 HPEMWSMXHKGUKY-UHFFFAOYSA-N 441.778 4.821 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 1667322083 MZOASDIBRSBNER-CYBMUJFWSA-N 442.368 4.683 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CCCC1 1667557723 NMRQNTFKAXGEAV-UHFFFAOYSA-N 433.618 4.818 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)C1 1667649375 SGRCXFMAJNQBTA-QGZVFWFLSA-N 436.487 4.927 30 10 IJEE CN(Cc1ccccc1)c1ccccc1NC(=O)N1CCN(c2ccsc2C#N)CC1 1668570779 GEOYJATXAVGSLA-UHFFFAOYSA-N 431.565 4.610 30 10 IJEE C=CCCCN(CC)C(=O)Nc1cc(I)ccc1Br 1668758455 WXCAIPCXLIUEME-UHFFFAOYSA-N 437.119 4.874 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)cc1Br 1668915245 FIXFPQYXEJWHDH-UHFFFAOYSA-N 425.373 4.910 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)C1 1669767005 MIGTUTHHVDWVSY-KRWDZBQOSA-N 445.629 4.555 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1)c1ccc(C(F)(F)F)cc1 1671802391 CVNIXPYAVGIXSC-MRXNPFEDSA-N 438.450 4.639 30 10 IJEE C=CCCC(C)(C)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1673996055 BOVLQLHFYJHABV-APWZRJJASA-N 425.976 4.533 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 1680314068 HQYAZDLBJQBMIX-FGZHOGPDSA-N 434.337 4.802 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccccc1 1680580121 GLTQQRWYKMWHCB-IBGZPJMESA-N 437.506 4.813 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1681784994 YWOKMNSLCAUBOE-WIYYLYMNSA-N 447.913 4.839 30 10 IJEE Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1683532767 GIDMPQMUHHHPEE-UIOOFZCWSA-N 430.596 4.809 30 10 IJEE C=C(C)[C@H](NC(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173139 CEUHXIWIFCMODE-SFHVURJKSA-N 425.520 4.965 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1689916586 ODJBUUKPIRGWIO-UHFFFAOYSA-N 446.395 4.688 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OC)c1ccc(F)cc1 1689951017 JSDFABKVJZTTNF-JXFKEZNVSA-N 438.572 4.728 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)c1ccccn1 1690007415 BPXIMMHYFBYWJF-UHFFFAOYSA-N 425.580 4.688 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCCc1nc2c(s1)CCCC2 1690007938 OVMJBOCOXJAQDL-UHFFFAOYSA-N 443.620 4.548 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690059890 ZLWDNKKTJPPCPA-NNMXDRDESA-N 442.579 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCO[C@H]1C(C)C 1690212880 VUAFJPISBFSSAX-PMWMKWCKSA-N 436.600 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)(C#N)CC1 1690251534 WHBWSYOHKPRHLH-URXFXBBRSA-N 449.599 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC(C)(C)C1 1690254531 CJYMMCSOYAUGDE-DOIPELPJSA-N 430.637 4.804 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1690419400 QSNGKJGXNUNCAH-UHFFFAOYSA-N 447.986 4.759 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690451353 DRCLKWGHKZYWFW-GMAHTHKFSA-N 448.615 4.568 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690496125 KWCJVPAQHLYKFB-HAGHYFMRSA-N 429.609 4.784 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1690539859 OZGIEHIQIKLNJN-NQIIRXRSSA-N 439.560 4.849 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(C(F)(F)F)CC2)CCO1 1694930658 DUXNOLHVZMBWHZ-RRWXTXHCSA-N 447.505 4.801 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(C)C)CC1 1705510800 YOYITCFNNZVGNH-HXUWFJFHSA-N 444.023 4.653 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705511152 JZEZIEHYOOTKPB-IBGZPJMESA-N 441.988 4.745 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)c(F)c1 1705511241 MSJWRGYQGBHMRQ-UHFFFAOYSA-N 448.315 4.754 30 10 IJEE C#CCCCCn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705522001 RVVUVNPVXQCTQR-SLFFLAALSA-N 443.636 4.725 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCSC1 1705668884 WJRISVYMJRPMNL-DRSNIGMVSA-N 431.005 4.817 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C 1705802344 ILQDBNXOSXAKCX-UHFFFAOYSA-N 433.000 4.669 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cscn1 1705813294 BVVASKYOYBODJA-UHFFFAOYSA-N 448.390 4.775 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(C)=C(C)C1)C(C)C 1705866974 DMDHNOHLUUNDGG-XMMPIXPASA-N 434.632 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705871566 ORGHEBKBEBSGEA-KRWDZBQOSA-N 435.597 4.762 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1705886884 VEYLSADIFWHAQN-GDBMZVCRSA-N 437.357 4.674 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](CC)Oc2cccc(F)c2)C1 1705924557 XDIKMTQGCFOIGQ-CTNGQTDRSA-N 430.568 4.645 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCSc2ccccc2)C1 1705926453 DOEBUYHEKDYZQQ-IBGZPJMESA-N 426.611 4.504 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(Cl)s1 1722282127 WXIWGOSROSONLL-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC)C[C@H]1CCCO1 1722326845 HPPHBQPCXKCKQZ-HXUWFJFHSA-N 435.597 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H](C)C1 1722493884 ALQXOYCHFMIYDN-RFWXGWTQSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCCC[C@H]2C)CC1 1722570189 WPIXNXLIHHKJIG-HXUWFJFHSA-N 444.023 4.931 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC2(OC)CCCC2)CC1 1722583148 RQHFDTQPJCSWLY-UHFFFAOYSA-N 442.629 4.941 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1nccnc1C)C1CC1 1722646814 LQVZEKPJYOOKGE-HXUWFJFHSA-N 432.572 4.531 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCN1CCCC[C@@H]1CC 1722658096 ABANJDGTVTYTMY-QFIPXVFZSA-N 448.590 4.936 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H](C(C)C)N1CCCC1 1722659468 VEJNJGWMWLOBPJ-XMMPIXPASA-N 448.590 4.792 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)C(C)C 1722661218 XEIURISRAOFYIR-HSZRJFAPSA-N 428.577 4.669 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722734686 ILPFAMDMGNYOGE-HSZRJFAPSA-N 430.618 4.514 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)C1 1726516281 FEPJCTOWTQIKRV-QIJUGHKUSA-N 432.572 4.728 30 10 IJEE C#CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@H](C)CC#N 1740712659 QBYKILVZTSMMFQ-MRXNPFEDSA-N 439.585 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCSC1 1740724425 CBAJBBMOBAVBLC-PMAPCBKXSA-N 428.577 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CC1(SC)CCOCC1 1740725128 HRIDSTIHUNUEIC-ZJSXRUAMSA-N 438.641 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(OC)C1CC1 1740725514 MVCZCYHDJPTOES-VWMXVWASSA-N 442.991 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1N(C)CCCC1(C)C 1740728306 VDKFGRYZNDWEHT-HYBUGGRVSA-N 443.998 4.850 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[C@@H]1CCCCO1 1740734921 QPTBQZXNLLCPND-BKMJKUGQSA-N 436.600 4.815 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCC(C)C)CC2)CC1 1740834910 LEVWQYAPLZAOKO-UHFFFAOYSA-N 446.643 4.977 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1C)C1CC1 1740913042 BXFIIWWPXXVZIO-HBFSDRIKSA-N 429.609 4.941 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)s1 1742505479 HGWHFFNQZYBIOW-AWEZNQCLSA-N 428.512 4.621 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1748703238 XRQSJHSBIWMWLA-YOEHRIQHSA-N 426.870 4.558 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1748721239 FJHRUYCVMXUVRW-XMMPIXPASA-N 429.008 4.967 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C(C)C)N1CCCC1 1748771862 PGUYXTBOMVLEPE-OAQYLSRUSA-N 448.640 4.567 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(F)F)C1 1749114436 CBOAKCJQTZNEEN-RRFJBIMHSA-N 447.368 4.587 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 1749132946 GBDSRHPTQLRZOS-HFMPRLQTSA-N 426.580 4.862 30 10 IJEE C=CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(O)(C(F)(F)F)CC1 1749407247 YDHGVTVCVMIWLP-UHFFFAOYSA-N 447.505 4.531 30 10 IJEE C=CCCCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1749426739 GNRSFQSOMHSSSF-WMZOPIPTSA-N 437.357 4.658 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)CC1 1749429099 FSCUNAVCFAVEFU-VQTJNVASSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1 1749544556 JOQOEULZESICOA-LEWJYISDSA-N 449.574 4.801 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)nc1 1749546805 FCBBHMUERZYOMG-UHFFFAOYSA-N 434.563 4.777 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C 1749558008 QGFGJYVTJHWARJ-SFTDATJTSA-N 431.669 4.526 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1749620837 XZOKHNUOWUGXKT-UHFFFAOYSA-N 428.968 4.579 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2CCC[C@@H]21 1749749976 USUOECSAILWJIR-DYVFJYSZSA-N 437.382 4.755 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCc1ccccc1 1760148425 ZSXAOQCMNNSTEQ-UHFFFAOYSA-N 426.362 4.518 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@H]1CCCCO1 1760288906 LEJXOFUIYOLRQH-DZRGJMJISA-N 440.563 4.899 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760344107 WGCIKIAJVYRABA-ZWKOTPCHSA-N 443.567 4.790 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1 1760419260 MSKOCXHAKYRPKB-CIAFKFPVSA-N 432.653 4.930 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760423038 PJKZIICMNTZXGI-MSOLQXFVSA-N 441.645 4.545 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760435813 WWSXSEFBYPMOAA-FQEVSTJZSA-N 435.616 4.695 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C#N)CC1)C1CCCC1 1767352235 BUCRUIDSYCMZHX-HSZRJFAPSA-N 437.588 4.679 30 10 IJEE O=C(O)c1cccc(N=C2S/C(=C\c3ccc(O)c(O)c3)C(=O)N2C2CCCCC2)c1 1772738450 VUCZUUDWOFDUPH-HTHTTXKWSA-N 438.505 4.733 30 10 IJEE CCc1c(OCc2ccccc2C#N)c(=O)ccn1C1CCN(Cc2ccccc2)CC1 1857912572 PLUXMQFTRBHAGE-UHFFFAOYSA-N 427.548 4.698 30 10 IJEE Cc1c(OCc2ccc(Br)cc2F)c(=O)ccn1Cc1ccccc1C#N 1857918302 KQMATPXJFLAXMA-UHFFFAOYSA-N 427.273 4.557 30 10 IJEE Cc1ccc2c(C)c(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c(=O)oc2c1 1859749995 FFRCZLNKXZEUNL-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862479031 WZQCVJDIHAKLOR-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862484918 UBIRVGPJMXELKM-MBSDFSHPSA-N 437.536 4.523 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccc(F)cc2)cc1 1862517706 TXVZRSQWVNIJDR-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)c1 1862523825 QBAVKEROEXBUEO-LJQANCHMSA-N 428.326 4.992 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(C)cc2)cc1 1862554414 BYWZKMMHYHXOPE-BXKMTCNYSA-N 442.515 4.925 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862581722 ODXISWGLEAAQGF-CWTRNNRKSA-N 434.319 4.515 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(F)cccc1Cl 1862631777 SYXCCLPLZPKUMP-HXUWFJFHSA-N 445.874 4.976 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2)cc1F 1862636456 HVRQPECSSJYWMI-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(Cl)c1 1862712437 QXXWLTFWJQCJOO-QFIPXVFZSA-N 434.923 4.633 30 10 IJEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1863803948 KDYYKPJZLCSBFN-UHFFFAOYSA-N 440.565 4.707 30 10 IJEE CC(C)(NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867122917 OIGCXZJEMSVFPK-OAQYLSRUSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN([C@H](C)c3cccs3)CC2)nc(-c2cccnc2)n1 1869370900 AQDVWACKSQAEEO-HXUWFJFHSA-N 446.624 4.662 30 10 IJEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c1 1870105982 RBSXLSINQJQRTH-UHFFFAOYSA-N 431.540 4.602 30 10 IJEE COc1cc(OC)cc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c1 1870140091 ZGAZWSJEFIUYBX-UHFFFAOYSA-N 433.512 4.655 30 10 IJEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871379737 XXSNDMWWPBYCKN-RMORIDSASA-N 437.455 4.785 30 10 IJEE CN1CCC(N(C)Cc2c(O)ccc3c2O/C(=C\c2c(Cl)cccc2Cl)C3=O)CC1 1871395014 BUWUNTJPPPKVQE-MTJSOVHGSA-N 447.362 4.841 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)C(=O)Nc1ccccc1 1871405851 QZKUDCNNRIITBM-PXNCGERRSA-N 430.416 4.617 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)C(C)(C)C)c3C)C2=O)c(OC)c1OC 1871420028 VBQXXUSOMXWTRM-UNOMPAQXSA-N 440.492 4.631 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871432950 UHSLTPUKQKXREM-CFRMEGHHSA-N 445.446 4.970 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871990994 LFSMXMIOZZPKNY-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872041465 UYYGEIIXBVUCDA-UZUQRXQVSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872084001 UKFFSATTZZDUMY-OAQYLSRUSA-N 434.989 4.887 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 1872209166 YMWVQDHFPMXGDP-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872406631 APQHFOWOXJWREI-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872422609 PTVDJTVUKHMQJV-XMMPIXPASA-N 434.561 4.860 30 10 IJEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872764113 ZXCASEHBPQDVBX-SIHDSBSPSA-N 435.461 4.625 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872764125 DINXSCGBHIPDQQ-OAQYLSRUSA-N 447.560 4.985 30 10 IJEE CC[C@H](C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 1872775903 CWJNICRVFRZCSS-ORAYPTAESA-N 447.491 4.834 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(=O)oc2c1 1873932422 RIIGPQHXQNKSMR-UHFFFAOYSA-N 436.464 4.844 30 10 IJEE CCOc1ccc(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SCC)cc1OCC 1874349979 OEKAYLDZYZZPFR-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2sccc2C)c1 1874493941 LZQPUPKPDTVDNW-WSDLNYQXSA-N 425.583 4.837 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CCOc2ccccc2)cc1OC 1874562852 WBNYNXILWVWRKE-JJIBRWJFSA-N 440.569 4.648 30 10 IJEE CCCCCCCCC(=O)Nc1ccc(C(=O)CCN2CCN(C(=O)OCC)CC2)cc1 1874757211 JRPBYTAOXFDHBQ-UHFFFAOYSA-N 445.604 4.723 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875122156 GOCKMAYEFUVCKK-CLNPQZTCSA-N 428.431 4.682 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 1875131583 FKZFDOHWIIIDJC-VQHVLOKHSA-N 432.476 4.534 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])cn1 1875155129 NHWHRDKMFKJDEZ-PKNBQFBNSA-N 439.427 4.962 30 10 IJEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCCCCCCO)ncnc21 1875232751 XCZPTGQVNQGYTO-UHFFFAOYSA-N 429.609 4.624 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c1 1879743276 LFYWKJIACZAQMO-MZNJEOGPSA-N 442.365 4.732 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)c2cc3ccccc3n2-c2ccccc2)CC1 1891611880 NYBISUGPFJRNBV-UHFFFAOYSA-N 436.515 4.828 30 10 IJEE CC(C)(C)c1ccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 1891671536 IJRPNMGHVFYCGY-UHFFFAOYSA-N 434.414 4.723 30 10 IJEE CCC#CCSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307228 HOQJSHLXBCNPND-JOCHJYFZSA-N 437.561 4.904 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 1901743247 QIPZSYGHCIKWAL-UHFFFAOYSA-N 435.487 4.761 30 10 IJEE C[C@]1(Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OCc2ccccc2)C1 1999273448 KKIGWCAANOORMB-FQEVSTJZSA-N 432.293 4.673 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2033307193 PDLAXIIDVQEHIK-YVWKXTFCSA-N 445.560 4.974 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079886229 YNLKILMAJZQRML-AWEZNQCLSA-N 432.240 4.871 30 10 IJEE C=CCN(CC[C@@H](Cc1cc(F)cc(Br)c1)NCC)C(=O)OC(C)(C)C 2099287540 KZDMYIJCMAQCJE-SFHVURJKSA-N 429.374 4.922 30 10 IJEE CC1(C)OB(c2ccoc2CNc2c(Cl)cc(F)cc2Br)OC1(C)C 2101329047 NSDLYXAXGNUPQA-UHFFFAOYSA-N 430.510 4.746 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 2102882377 LZYPGZHSNHXDMJ-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC[C@H]1CN(c2cc(Br)cc(F)c2C#N)CC[C@@H]1NC(=O)OC(C)(C)C 2118195497 WNGHEMHZTMHWIW-LRDDRELGSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(F)cc(Br)c1 2124445372 RCHYVYUEBPMLIR-OAHLLOKOSA-N 428.302 4.504 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Nc2ncc(Br)cc2C#N)cc1 2162387166 KJGKWMIQOUKSAR-IAGOWNOFSA-N 429.318 4.840 30 10 IJEE C=CCCCCCCCCC[S@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2207432032 LMVOPONXOQYRMN-JRPXNJEYSA-N 437.602 4.812 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235733816 VCNDNXNCGLNMEX-PGRDOPGGSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](O)(C#Cc3ccccc3Br)C[C@H]21 2235743723 LXVJHVVNYOPWOT-JUXOCIIHSA-N 434.374 4.731 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)N(Cc2ccccc2)CC2CCCC2)OC1(C)C 2247864670 JOAUFXZYPUKCDM-UHFFFAOYSA-N 425.403 4.880 30 10 IJEE CCN[C@@H](CC#CC1CCCC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2261102654 IFYZZUVUCKEQHW-IGKIAQTJSA-N 439.644 4.718 30 10 IJEE C=CCCC1([C@H](O)Cc2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2273837665 DSWREWKPHHUINS-QGZVFWFLSA-N 428.342 4.695 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@H](O)C#Cc1ccccc1Br 2283505422 DGGRGRJXAYJTEH-QGZVFWFLSA-N 432.314 4.890 30 10 IJEE C=C(C(F)(F)F)C1(OCCC(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2290851802 YBLRYVIDBQGCOZ-UHFFFAOYSA-N 429.435 4.594 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2296223097 YWGHTJPXJCBSAF-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]12C[C@@H]1CCCN2C(=O)OC(C)(C)C 2296279444 OWELTZBNOWMSDL-LRXVAGHRSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@@H](N)C#Cc2cccc(Br)c2)C1 2296282885 AKDLOBRLLAHKAY-MJGOQNOKSA-N 435.406 4.801 30 10 IJEE O=C1C[C@H](c2cc3ccccc3nc2O)c2c(ccc3c2OC(=Cc2ccccc2)C3=O)O1 2297596175 VBGOMNXTMVOJKL-GOSISDBHSA-N 435.435 4.998 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(F)F)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302312980 MPENTKGCWVFWIP-PWRODBHTSA-N 436.543 4.513 30 10 IJEE Cc1ccc(N=C2NC(=O)C(=Cc3cc4c(cc3Br)OCO4)S2)c(C)c1 2313513975 AXLIIIYXBPZTCC-UHFFFAOYSA-N 431.311 4.686 30 10 IJEE C=C(COCc1ccccc1)[C@H](N[C@@H]1CCCC[C@@H]1C)[C@H](O)CCNC(=O)OC(C)(C)C 2319220779 MOBUSUAGPYIPQE-QVGHQYEOSA-N 446.632 4.572 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc1c2CN(CCCCN2CCCC2)CO1 2322115114 QWSRLRVRPFUHGD-UHFFFAOYSA-N 438.955 4.984 30 10 IJEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCCN1CCCC1)C3 2322120500 CUZNWCBCICVNSC-UHFFFAOYSA-N 432.564 4.948 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Br)c1OCCCO 2324260426 ATLCZJUYALQFCU-UHFFFAOYSA-N 441.268 4.783 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)cc1C 2324451223 PJRGXUGRFFHGGU-UHFFFAOYSA-N 436.508 4.935 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OCC 2324538593 OXYMICTYNMHIGP-UHFFFAOYSA-N 445.943 4.857 30 10 IJEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)c(C)c1 2324553376 LLHYPVQNJQIUJI-UHFFFAOYSA-N 425.481 4.994 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OCCN3CCCC3)ccc2C1=O 2325668833 ZZRXGEYLVZXVKW-UHFFFAOYSA-N 444.325 4.549 30 10 IJEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 2325722134 RQZWKRUOHYINLN-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)cc1OC 2325722861 PJZXOGDPTDOLHS-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2c(OC)ccc3ccccc23)c1 2326750179 XMPJOJVOTNCSOE-UHFFFAOYSA-N 446.532 4.709 30 10 IJEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1cc(Cl)ccc1O 2328702000 BMBZWNTZHJGVNM-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE Oc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2F)cc1 2329195360 CKVAARKIZBWQGF-UHFFFAOYSA-N 448.523 4.919 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Br)cc1 2329282893 JXIFVYVXCMIYHB-UHFFFAOYSA-N 443.370 4.800 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1O 2330965830 UDNIADDMCHMYSQ-SFHVURJKSA-N 444.944 4.672 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccccc2F)c(OC)c1 2331056910 UURLQKJIEYSYCV-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CC2)cc(OC)c1OC 2331716973 XVPCLTRQTRDOSX-UHFFFAOYSA-N 438.553 4.664 30 10 IJEE CC[C@@H]1[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339587764 YXNYEVGGILTJPK-RTBURBONSA-N 444.381 4.893 30 10 IJEE Cc1scc(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)c1Br 2369679241 DHGHCGWMFZIQCO-UHFFFAOYSA-N 433.180 4.602 30 10 IJEE CC1(C)OB(c2cc(Nc3ccc(Br)c(Cl)c3F)ncc2F)OC1(C)C 2371992939 ORDUTFHLARDGTD-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE C=CCc1ccccc1OC[C@@H](O)CSc1nnc(-c2ccco2)n1-c1ccccc1 24095265 STHBOYFDRICDOU-HXUWFJFHSA-N 433.533 4.788 30 10 IJEE N#Cc1cc2c(nc1SCC(=O)NCCc1ccccc1)CC[C@@H](c1ccccc1)C2 34859309 PEJTWVUYPBSZQN-OAQYLSRUSA-N 427.573 4.677 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OC(=O)c2ccc(OC)c(OC)c2)c1 34955323 URAPAHODDIYUBW-FMIVXFBMSA-N 448.471 4.836 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3CN(C3CCCC3)CO4)C1=O)cn2C 41662340 HNPSAUQVCZXTLK-MYKKPKGFSA-N 430.504 4.898 30 10 IJEE CCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc(C)c(C)c2)cc1OCC 45940495 NDAJBPKOYUMNKW-UHFFFAOYSA-N 446.551 4.894 30 10 IJEE CN/C(=N\c1cccc(Cl)c1)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 59446444 AKSSZUNFXMSGMQ-HNNXBMFYSA-N 442.755 4.919 30 10 IJEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169879262 PGABDGLYYBDKFO-YDZHTSKRSA-N 436.424 4.845 30 10 IJEE CCOc1c(Cl)cc([C@@H]2NC(=S)N(CC)C(C)=C2C(C)=O)c(OCC)c1Cl 169933155 PJVLFTZQWOIHGH-INIZCTEOSA-N 431.385 4.905 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(N(C)C)cc1 169954160 LWTQBLFBBDOHAC-QHCPKHFHSA-N 430.479 4.983 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2)c1 170054692 YVGWBFGUXDZING-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(O)c2)s1 170082441 XNXHXJJADQLJCK-SFHVURJKSA-N 442.443 4.527 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)c1 170090224 ZYCFWMDJHUMXMH-QFIPXVFZSA-N 445.427 4.826 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(C)o2)cc1 170100262 WXWZEOUXZWKSEH-HSZRJFAPSA-N 431.488 4.938 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2OC)cc1C 170123529 UHQJXTYUKPBSRJ-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 170128925 YYJBBUQPWVKKRV-OAQYLSRUSA-N 442.943 4.793 30 10 IJEE CC1CCN(c2ccc(N3CC(=O)C(c4nc(-c5cccs5)cs4)=C3N)cc2)CC1 170180842 VUKHIGPAJJJMOG-UHFFFAOYSA-N 436.606 4.825 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccncc1 170202485 BWYPLFMEZPNMFL-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccncc2)cc1 170212500 HNSAEZWLCIDFER-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2)cc1C 170241536 ZYJGLRRUWYDTQE-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccccc1F 170251892 LFGXSWHGDOTBBX-JOCHJYFZSA-N 441.499 4.573 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303471 QSUJGZHINIILCX-LJQANCHMSA-N 438.823 4.933 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170360079 APLDYAZRYWPITD-JOCHJYFZSA-N 432.476 4.527 30 10 IJEE CCN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1 252597045 COHDXUKTNDSKID-XADZQOGUSA-N 433.327 4.787 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 460377577 ULZPKCLAOVVCLC-UHFFFAOYSA-N 441.988 4.589 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Br)ccc1OCCOC 481000960 AXIVYFOASVRLDP-UHFFFAOYSA-N 449.345 4.703 30 10 IJEE CC(=O)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)cc1 526657789 UKSMQBVFHTWQDZ-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CCN(C1=C(SCc2ccco2)C(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 526693530 OOPFYXIWCLFCSI-UHFFFAOYSA-N 429.501 4.696 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Br)ccc1O 526804232 JFLVSIUPRWNIJE-NHDPSOOVSA-N 431.359 4.792 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(OC)c(O)c(OC)c1 526811411 KEAMTMNJSDHOAQ-FMCGGJTJSA-N 446.960 4.781 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc1Br 526818595 QKDWMGUWJKHNIF-YVNNLAQVSA-N 431.359 4.841 30 10 IJEE C=CCN(C(=O)CCc1nc2cc(Cl)ccc2s1)c1nc(C(=O)OCC)cs1 609327012 XQHQXSYMYDNCHQ-UHFFFAOYSA-N 435.958 4.735 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(Cc2ccccc2F)n1 735593708 NUXUYVZLKUVWLC-GOSISDBHSA-N 435.524 4.959 30 10 IJEE C[C@H](CSc1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 756711953 BRQSOPCTRHRMEF-OLZOCXBDSA-N 432.542 4.546 30 10 IJEE Cc1ccc(F)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)c1 762442249 YUPJAUSHKZMPAS-UHFFFAOYSA-O 440.907 4.976 30 10 IJEE C[C@H](NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)c1ccc(-c2ccc(F)cc2)cc1 780076104 WCXNJSUWPGLXQF-SJORKVTESA-N 431.467 4.599 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 780682369 URCYGCMYRRQAIK-RDJZCZTQSA-N 435.459 4.578 30 10 IJEE CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC)cc1 799220701 DCTZVLHNEXWXJV-GOSISDBHSA-N 431.945 4.719 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 806220423 COZGZDXBIPUMAF-XMMPIXPASA-N 425.532 4.648 30 10 IJEE CO[C@@H]1CC[C@@H](N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)C1 1116748872 RWQJKCKUTHHDIY-NJYVYQBISA-N 437.565 4.523 30 10 IJEE CC1(C)CC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)c2ccccc21 1127183214 BMXHTYGDEYRRFS-MRXNPFEDSA-N 427.342 4.671 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ncccc2C)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1128002971 DHNIEKOUIJMLTB-XMMPIXPASA-N 444.531 4.985 30 10 IJEE CCCOc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1 1128921459 HVJPNOSXRURCJU-UHFFFAOYSA-N 432.524 4.848 30 10 IJEE Cc1cc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccc1Br 1129537717 BZSJHKNSWRGDTQ-UHFFFAOYSA-N 425.282 4.731 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 1136813547 HEGWQHKEQUMRQR-LPHOPBHVSA-N 441.597 4.911 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc3ccccc3n2-c2ccc(OC)cc2)cc1OC 1136834527 VNYZTEGUEIMKHA-UHFFFAOYSA-N 429.476 4.860 30 10 IJEE C=CCN(C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)[C@@H](C)COC 1147132449 OOOKBIGIIKLWKY-INIZCTEOSA-N 445.585 4.744 30 10 IJEE COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 1157521050 DICFRWFPRCIRQZ-QHCPKHFHSA-N 431.561 4.751 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(OC(F)(F)F)cc2)nc2ccccc21 1164497841 NDYBMTXWELNLLQ-UHFFFAOYSA-N 435.471 4.572 30 10 IJEE O=S(=O)(c1cc(F)ccc1NCCc1cccc(OCC(F)(F)F)c1)C(F)(F)F 1186220376 CLTJNKKHKFRBDK-UHFFFAOYSA-N 445.356 4.715 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccccc1 1198841971 HXOANGAQIHPOFE-HXUWFJFHSA-N 431.533 4.585 30 10 IJEE COC(=O)C[C@](C)(NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)c1ccccn1 1205358917 HIMRAAOOVRHKLW-DEOSSOPVSA-N 446.532 4.704 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1205898463 CJYHHIDTPOTHER-FQEVSTJZSA-N 441.535 4.731 30 10 IJEE CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1216826922 BPGVPPKKACLPOG-GOSISDBHSA-N 434.540 4.757 30 10 IJEE C#CCN(C(=O)N[C@@](C)(C1CC1)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1220262509 WJMDNCVUXDVDMN-YJBOKZPZSA-N 445.279 4.649 30 10 IJEE C=CCc1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)cc(OC)c1OC 1264145169 JNNHFQALWLERLC-UHFFFAOYSA-N 447.487 4.912 30 10 IJEE Cc1cccc(COc2cccc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)c2)c1 1264895025 GXLYGWVYKZJOKN-UHFFFAOYSA-N 429.495 4.547 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(F)c1 1286314963 KGXDQZAAZQEFQP-UHFFFAOYSA-N 430.325 4.615 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN(C(C)C)C(C)C 1286365804 JRMYBFINEBNDFU-LJQANCHMSA-N 427.662 4.710 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCc1cccs1 1286498708 DSGDMFQVUFZVSY-UHFFFAOYSA-N 433.606 4.600 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cc(C)on1 1286501110 MQPAGBDFNZHXLR-UHFFFAOYSA-N 436.368 4.551 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1Cc1cn(CCCC)nc1C 1286527619 NWTDZWIKXXLKPB-AREMUKBSSA-N 446.599 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(CC)Cc1ccccc1C 1286563356 JJMKVQHFMZDDBX-ILBGXUMGSA-N 431.584 4.580 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1sccc1Br 1286730783 NUTFWSJVTVKIEW-UHFFFAOYSA-N 447.402 4.968 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCOc1ccc(Cl)cn1 1286742373 PCBNNVDYEWFUNZ-UHFFFAOYSA-N 448.958 4.737 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCSC2(C)C)C1 1286809086 ZQFCQZJBEXGEEW-QUCCMNQESA-N 447.048 4.835 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)C1 1294436393 OAHQOPJWRXJTSZ-ILWXKZJZSA-N 438.955 4.951 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1 1295583422 CKTSQCSAWDARSE-UHFFFAOYSA-N 441.004 4.654 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC(C)(C)C(C)C 1296863351 GNXQYOWKOVKOII-UHFFFAOYSA-N 425.577 4.678 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1300352538 MMCRTHOWXFGMPY-FQEVSTJZSA-N 437.588 4.503 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1 1300353714 ZCMWWWHZNIXXJN-HOTGVXAUSA-N 433.419 4.841 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2ccsc2)CC1 1300354080 XBWFKJCMERMPBO-UHFFFAOYSA-N 440.016 4.786 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@H]21 1300425829 YIMZGMSPERDSAM-NJYVYQBISA-N 441.620 4.923 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1300780299 PAOUMLOTXJNBKC-UVWWXKGLSA-N 435.616 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1300874466 MRTRNKAHFQSEGV-AABGKKOBSA-N 429.634 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CC(C)(C)N1CCC[C@H](C)C1 1300906930 AEGHOVWZBFJELR-FQEVSTJZSA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1nc(C)c(C)s1 1300924927 KEXPXQPSJJUOHY-UHFFFAOYSA-N 425.602 4.998 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CCC(N(CC)CC)CC1)c1ccccc1 1301010040 RQGCWHNVFLEJGO-UHFFFAOYSA-N 435.641 4.954 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1301138676 CCONHRHHZIZYSB-KDOFPFPSSA-N 448.409 4.642 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1301208473 XRQCHWHOKQWIHB-OAQYLSRUSA-N 449.643 4.949 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1301341553 SPIVKIJUDSJFGQ-LVXARBLLSA-N 434.632 4.976 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC([C@H]2CCOC2)CC1 1301467057 BULWNQCAHPHIQC-FQEVSTJZSA-N 445.007 4.690 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccco1 1301531222 GARZFXJTOHUTRH-HXUWFJFHSA-N 446.555 4.543 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCCCO)C1 1301543879 QHLZRZCQAFRMKE-INIZCTEOSA-N 447.004 4.757 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)c1ccco1 1303063322 DLLPXZWLPVTCQF-HSZRJFAPSA-N 441.963 4.865 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)(N(C)C)C1 1304982370 AGMYRXZSARHEJY-AMGIVPHBSA-N 448.659 4.704 30 10 IJEE C=CCOc1ccccc1CNc1ncc(C(F)(F)F)cc1I 1306967271 JQNBSVHGONJFPC-UHFFFAOYSA-N 434.199 4.882 30 10 IJEE N#Cc1cc(F)c(N[C@@H]2CCN(c3ccccc3Br)C2)cc1Br 1306971355 HMSOGCCLZZOQHE-GFCCVEGCSA-N 439.126 4.913 30 10 IJEE C#C[C@H](NS(=O)(=O)c1nc(C)sc1-c1ccccc1)c1ccc(Br)cc1 1309531747 MSWSKNVVWFPBKA-KRWDZBQOSA-N 447.379 4.534 30 10 IJEE Cc1cccc(C)c1CN(CC(C)C)S(=O)(=O)c1cc(Br)ccc1C#N 1309611943 FSPIJQOLEFLIGL-UHFFFAOYSA-N 435.387 4.785 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1314054119 GIDFITQAJHIJHZ-YUXAGFNASA-N 437.588 4.559 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(OCc3ccccc3)cn2)c1C#N 1348882736 HZHLDVFXEAZKQF-UHFFFAOYSA-N 441.516 4.692 30 10 IJEE CCOC(=O)c1c(NC(=O)Cc2cccc(OCC#N)c2)sc2c1CC[C@H](CC)C2 1350912215 IAQTYHJGKSIOKG-HNNXBMFYSA-N 426.538 4.523 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2OCC)C1)c1nc(-c2ccccc2)cs1 1351451017 OEICBHGRZMFUSX-LJQANCHMSA-N 447.560 4.781 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)COc3ccc(Oc4ccccn4)cc3)cc2)nc1 1351716472 CMFIFAUYQGCZPQ-UHFFFAOYSA-N 438.443 4.950 30 10 IJEE C#CCN(C(=O)C(F)(F)Cc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1353633718 HDRANTRAGGSNDK-GOSISDBHSA-N 434.280 4.613 30 10 IJEE Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)n(-c2cccc(Cl)c2)n1 1354301221 FLGYDUNIVJHMKM-UHFFFAOYSA-N 425.945 4.757 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)cc1 1354566448 YNTXAUXSULWPAP-LJQANCHMSA-N 440.487 4.644 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1357693542 COWWHTYMUCQZEF-UHFFFAOYSA-N 429.863 4.619 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)CCc2ccc(F)cc2)c(C(=O)OCC)c1C 1357818430 UTLOJDXURWEZIT-AWEZNQCLSA-N 447.528 4.923 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@]1(C)C#C 1358906571 MHGLELMZMYZYFD-JOCHJYFZSA-N 441.373 4.512 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1358907706 YGYGGNMJXUGPBT-NYTJIUQPSA-N 433.383 4.653 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1358924165 ODEMSEOOLRICMV-SFHVURJKSA-N 440.016 4.957 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCc1ccc(Cl)s1 1358997927 KADZLUXKAIVCAP-UHFFFAOYSA-N 438.984 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@@H](C1CCCCC1)N(C)C 1359072768 QAQUHEGFJLDJSP-RPLLCQBOSA-N 433.644 4.566 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@](C)(CC)C1 1359077610 GZLCXBPYFQYHNJ-GHTZIAJQSA-N 433.394 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCc1ccccc1C(F)(F)F 1359114477 MNOSDYROFAEVEY-UHFFFAOYSA-N 429.490 4.928 30 10 IJEE C=CC[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 1359195028 FQPRKOGVEXWKPU-RBBKRZOGSA-N 439.567 4.615 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](COC)C1 1359199986 OOKWWIUPRGGWHP-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359200371 CEZXWMPNWXBCJQ-UHFFFAOYSA-N 435.616 4.839 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCCCC2)CC1 1359209957 FQZAQZCUMBXCBL-UHFFFAOYSA-N 445.558 4.967 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1 1359216632 ZNSCSQNEDYFKDF-HXUWFJFHSA-N 431.588 4.616 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1359227566 FJWLSXUZTLXXTP-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1OCC[C@H]1C 1359263988 RCVJURSSLGNHRD-DYESRHJHSA-N 426.561 4.687 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](C)COC)C1 1359314375 ZPNUZYJAFCKGMI-HOTGVXAUSA-N 447.004 4.877 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1359338944 NFLGCXHKOWGCPY-HXUWFJFHSA-N 432.037 4.582 30 10 IJEE C=CCc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc(OC)c1OC 1361193536 WHGCQFRKPCQRAN-KRWDZBQOSA-N 428.960 4.605 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2cc(Br)ccc2Br)cc1 1435937317 PAXWTYJHIHZREO-UHFFFAOYSA-N 437.131 4.544 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1CC)c1ccc(Br)cc1 1436651687 RZJQISOPGFDRAE-IBGZPJMESA-N 442.744 4.955 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)C(=O)OCC 1449695355 MDCWPKWPIGQBCN-LJQANCHMSA-N 446.341 4.656 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(C)c(OCC(=O)OC)c(C)c2)c1 1455950876 VTCNBCXENBTJBE-UHFFFAOYSA-N 427.500 4.684 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 1456063055 DGKVSKXKCTULMJ-UHFFFAOYSA-N 440.572 4.785 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 1457630687 DRVTZYOMKKPBCU-UHFFFAOYSA-N 426.472 4.815 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1noc2c1CC(C)(C)CC2 1458828154 QLQUUEKSLYHJKD-UHFFFAOYSA-N 428.533 4.977 30 10 IJEE C=C(C)CN(CC(=O)Nc1ccc(I)cc1C)Cc1ccccc1 1460057729 ZENKQZRISIQIJJ-UHFFFAOYSA-N 434.321 4.616 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1C)c1ccc(F)c(F)c1 1463553654 MQXUVVKJXFYICY-KRWDZBQOSA-N 434.277 4.771 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 1468508532 FAMNVNZOZUKDPW-JWQCQUIFSA-N 433.596 4.658 30 10 IJEE C#C[C@@H](NC(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1470668427 WLOVTXKQIMQYSG-DNVFCKCGSA-N 449.954 4.632 30 10 IJEE C=CCn1c(SCC(=O)CC[C@H]2CCCCO2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472908300 WGLQHXOIPQVZHG-DOTOQJQBSA-N 446.638 4.779 30 10 IJEE C=CCn1c(SCc2c(C)nn(C)c2Cl)nc2sc3c(c2c1=O)CCCCC3 1472909709 MVIYGEGCCHQCNZ-UHFFFAOYSA-N 435.018 4.901 30 10 IJEE Cc1cccc(COc2cccc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c2)c1 1476187522 BCXMYDKOQSTXCG-UHFFFAOYSA-N 444.510 4.939 30 10 IJEE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1cccc(CC#N)c1 1476609955 BGRAEHHLJJWMEB-DHIUTWEWSA-N 434.540 4.796 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1504375543 CLVCRYVGSQALMM-SJORKVTESA-N 433.478 4.987 30 10 IJEE N#Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCC[C@H](O)C2)cc1 1505316803 HCBJIYPTZAQYIO-ICSRJNTNSA-N 447.505 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC(C)CC1 1507548533 VDIRXIZZEPZGIO-RBUKOAKNSA-N 446.064 4.802 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCO1 1507765304 RHSYBPUXROOXAG-XTQVGHSUSA-N 428.964 4.633 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC1CCCCC1 1507806580 SOZXSJGQXDKWDZ-SIKLNZKXSA-N 429.634 4.632 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2ccc(CC)o2)nnc1[C@]1(OC(C)C)CCOC1 1507875142 NVUPVSQTXFGMIT-AVRDEDQJSA-N 434.968 4.568 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccccc2C(C)C)CC1 1507909041 PAAKRVXBVALPMM-UHFFFAOYSA-N 448.615 4.745 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccsc1 1507959350 OZVIGYMPUSYTGY-FQEVSTJZSA-N 439.541 4.849 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN(CC(C)C)C1 1507970777 OHVOQCHKINGPFR-UXHICEINSA-N 429.584 4.547 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H]2CC[C@H](SCC)C2)cc1 1508100538 LMFXAZFTHANENX-FPOVZHCZSA-N 437.613 4.997 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCSC)C1 1508120112 YXRYZYXRRDIXAZ-AEFFLSMTSA-N 432.659 4.666 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(c2ccccc2CO)CC1 1508160127 SMOOOSPAMWVNMW-UHFFFAOYSA-N 426.630 4.731 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1510289735 FPQSGBLJJAWYQY-UGKGYDQZSA-N 428.531 4.610 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2CCN2CCCC(C)(C)C2)o1 1510783271 BRDHLEZCVANFRR-UHFFFAOYSA-N 426.609 4.735 30 10 IJEE C=CCN(C(=O)c1ccc2nc(CC)c(CC)nc2c1)[C@@H](Cc1ccccc1)C(=O)OCC 1516154124 CVTOYTHVICJWJG-VWLOTQADSA-N 445.563 4.557 30 10 IJEE COC(=O)[C@H](C)[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 1516551034 CSUIZYSRETWODM-HXOBKFHXSA-N 430.529 4.990 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cccc4cnccc34)C[C@H]2C)cc1OC 1525016140 PBVXOYAZZDYNIV-WAEYIKQSSA-N 443.547 4.559 30 10 IJEE Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 1525424238 BABOHCZREBZATI-UHFFFAOYSA-N 438.499 4.645 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 1526042641 CEBGOFRXSHMZMK-RDJZCZTQSA-N 425.579 4.780 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1sc(N2CCCC2)nc1Cl 1526174548 CACDATQKSUUUKB-LBPRGKRZSA-N 442.894 4.970 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)CCCN1C(=O)OC(C)(C)C 1529422212 TVVVWTAKJDZHNB-DEOSSOPVSA-N 445.629 4.833 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](C)CSc2ccccc2OC)CCCN1C(=O)OC(C)(C)C 1530576249 WGXAGPWXZHTUSL-MHECFPHRSA-N 448.629 4.885 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)OC2CCCCC2)c(C(=O)OCC)c1C 1532545489 RJQQRITVTVXDPV-MRXNPFEDSA-N 437.558 4.642 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 1534034415 ASQWYAIJXIAESI-XYWHTSSQSA-N 443.547 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc(OC)cc1 1539035493 QIQPNNWVIYCXKX-VLCRHTCISA-N 438.616 4.641 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@H]1C(C)C 1539351280 RIDYTXVEMDQNIY-UGKGYDQZSA-N 426.630 4.796 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2CCC[C@H]21 1539498978 ADBWTMOASSESSS-UONOGXRCSA-N 437.432 4.514 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)OC1CCCC1 1539602888 CFADNBQHDGYEHZ-UHFFFAOYSA-N 430.350 4.569 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1539606485 GSJXWAYAGFEPJZ-PMACEKPBSA-N 429.406 4.988 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539759140 XFAWQHJLLLFIOC-IEBWSBKVSA-N 447.505 4.508 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2CCN(CC)CC2)CC1 1539895840 BADZBPPYFGFPDB-DHIUTWEWSA-N 443.680 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1539900291 KAHPAEDQCUXXJL-LJQANCHMSA-N 448.546 4.661 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540013148 LKIFTNGVAQWXEX-NRFANRHFSA-N 448.615 4.983 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCO[C@H]1CCCC[C@@H]1C 1540120755 GMQFMIJWHOWIBJ-RDPSFJRHSA-N 444.583 4.933 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1CCC 1540122277 TXZBMNWCJMYRPT-QHCPKHFHSA-N 444.583 4.785 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C 1540136315 GPRPIAPTGSNDEA-SFTDATJTSA-N 430.568 4.913 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1(C)CCCC1 1540191682 PEDSSAIMKXZYHU-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1540885338 GSQSJSZZONEXLD-RTWAWAEBSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H]2C)C1 1540896336 KHZQAYPWHSNWSU-BBTUJRGHSA-N 430.980 4.728 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cnccn1 1540911526 ZKMYVNYMSNHLOA-UHFFFAOYSA-N 440.642 4.621 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 1544280120 RSHLSOQMEHZPJE-VFNWGFHPSA-N 435.442 4.881 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N3CC(OC(=O)Nc4cccc(F)c4)C3)cc2)cc1 1556223227 CCWKXXFDLWNAJV-UHFFFAOYSA-N 445.450 4.757 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2c(C)nn(CCCC)c2C)[nH]n1)c1ccccc1 1558718487 IPEJNROCTXVHPD-SSEXGKCCSA-N 425.558 4.543 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3cccc(F)c3)C2)n(-c2ccc(F)cc2)c1C 1559796227 BTTVRAMUYFYBOU-LJQANCHMSA-N 434.490 4.672 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccccc1Cn1ccnc1 1562929567 ZICMFTQCNWQNJF-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE C#CC1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 1563428944 DKFYKQVCVBFGSD-OAQYLSRUSA-N 428.001 4.556 30 10 IJEE C#CCN(C(=O)NCc1ccc(COCC(F)(F)F)cc1)[C@H]1CCCc2ccccc21 1563576209 FWTJSEMDDOMLSI-QFIPXVFZSA-N 430.470 4.988 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](O)COc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 1564406302 CSIKCQHAZCDEGU-UYAOXDASSA-N 440.437 4.591 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 1564667978 NGPZYKNOCTWYOE-NRFANRHFSA-N 447.624 4.635 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccc(OC)cc2)C1 1565302384 LWYPNJSWVHHFJV-LEWJYISDSA-N 445.604 4.690 30 10 IJEE N#Cc1ccc(N(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C2CCC2)cc1 1586911435 HFAJQGMQKKNYQA-UHFFFAOYSA-N 439.288 4.845 30 10 IJEE C=CCCC1(CNC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)CCCC1 1587244112 LKZLPQPJJVXUBE-UHFFFAOYSA-N 425.598 4.903 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)c1nc(C)cs1 1587561699 HFWHWRDHYPYCGY-HYVNUMGLSA-N 427.549 4.584 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)C(C)(C)C 1588089345 IXGUSGCSUDRSEI-HXUWFJFHSA-N 447.608 4.511 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)N(C)C 1588472241 CVWHVJBQTDPOHJ-FQEVSTJZSA-N 439.604 4.719 30 10 IJEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1589096395 BNFYIYMMSQWOSK-FYYLOGMGSA-N 438.641 4.597 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1593840553 JSBXEHPHPXIKML-ISTRZQFTSA-N 427.763 4.866 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 1594181482 MOCNJWRCOMUPKH-XYWHTSSQSA-N 439.579 4.857 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)c1 1594485969 GIZFUALGYAGWJF-SFHVURJKSA-N 441.314 4.991 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1594687035 CDXGKWDISRGHHX-GOSISDBHSA-N 429.996 4.553 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1595133606 IUWGUBBHUAPMGV-PXDATVDWSA-N 442.579 4.537 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](OC(C)C)c2ccccc2OC)C1 1595674487 QHWZENXIHLZWKB-UGKGYDQZSA-N 442.604 4.532 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1595901356 VBSSFPWFGSOZDT-LJQANCHMSA-N 437.613 4.664 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(CC)cc2)CC1 1616323371 PANQQCNBOUQPAC-UHFFFAOYSA-N 428.580 4.872 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 1616734453 GBGVXYBSIJEVBM-UHFFFAOYSA-N 449.938 4.610 30 10 IJEE C=C[C@H](C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccccc1 1620922010 NRDKHAQUWKYAEW-REWPJTCUSA-N 441.499 4.544 30 10 IJEE N#CCc1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 1622728662 CGQPAKWWWNUUOI-LOSJGSFVSA-N 428.511 4.681 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1625609921 PJEQOUAZQPDUNU-UHFFFAOYSA-N 448.336 4.645 30 10 IJEE C=CCNc1ncc(C(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)s1 1626093781 WYUVNEMGRPWHQB-UHFFFAOYSA-N 435.372 4.803 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1627113515 DVJWIEZSIMKSBY-JOCHJYFZSA-N 435.568 4.763 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(Cc2c(F)cccc2Cl)C1 1630003090 VAGCYNCFWKEYCJ-UHFFFAOYSA-N 425.891 4.544 30 10 IJEE C#CCN(C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@H]1CCCc2ccccc21 1635884460 JYHMSKSSUUTREC-QRWLVFNGSA-N 429.347 4.651 30 10 IJEE C=CCCC[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccccc1 1636852180 VWVQXPLDBLOCRM-OAQYLSRUSA-N 438.369 4.971 30 10 IJEE C#CCN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)[C@@H]1CCc2ccccc21 1644410946 QCBWATWADMZVJM-HSZRJFAPSA-N 426.482 4.819 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CC[C@H](Sc3ccc(Br)cc3)C2)cc1 1647843327 VBXBLUDIEFNHQG-FQEVSTJZSA-N 429.383 4.626 30 10 IJEE C=CCN(C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1)[C@@H](C)COC 1658974823 HAGRKVPSUITRCN-SFHVURJKSA-N 435.524 4.877 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)c1 1659225793 GZFPGTRBYMOQKT-VWLOTQADSA-N 430.504 4.821 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1OCC(C)C 1660688733 CEOKXYYEQRVKOV-HXUWFJFHSA-N 430.570 4.667 30 10 IJEE COc1cc(CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)ccc1OCc1ccccc1 1662434550 FJMZWZUPTZIELT-UHFFFAOYSA-N 444.535 4.842 30 10 IJEE O=C(NCc1nnc(C2CC2)o1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1662958698 FZHRCEZPRVZLAN-UHFFFAOYSA-N 426.292 4.558 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](c1nccs1)C(F)(F)F 1672708207 HAQAIJBAGZWZPZ-GFCCVEGCSA-N 436.253 4.896 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 1672854712 UPRFKRPMEPKEAW-UHFFFAOYSA-N 432.377 4.995 30 10 IJEE N#Cc1ccsc1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 1673282323 CLSAYVGHNCRBRU-UHFFFAOYSA-N 435.484 4.993 30 10 IJEE C#CCN(C(=O)Nc1ccc2c3c(cccc13)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 1673808008 RBXLMMRDJWWMNQ-UHFFFAOYSA-N 433.552 4.805 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NC1(c2cccc(Br)c2)CCC1)C(C)C 1674145352 GPKVXZZQHPJYCZ-HXUWFJFHSA-N 434.422 4.826 30 10 IJEE C=C1CCC(CNC(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC1 1675872996 WUSKFICTXQRNLH-IVHGUIJPSA-N 427.589 4.657 30 10 IJEE C#CCN(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1677041921 VDPKKFDOSHEVEL-YLQAJVPDSA-N 447.295 4.895 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1c(F)cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1679857572 RKJXOTYGEGIPRW-HNNXBMFYSA-N 437.943 4.584 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1681741744 PLDZPNRQLRTJBY-JXFKEZNVSA-N 437.506 4.744 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1F 1689906347 LNKZEVKHFOHTFB-DENIHFKCSA-N 442.579 4.655 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)c1nc(C)cs1 1689976465 KVERURQDHOXNIA-AWEZNQCLSA-N 432.018 4.862 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H](CCC)OC 1690196732 VUHBUTVTLZODDP-WIYYLYMNSA-N 431.378 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1 1690268416 KATCKSJMJCFEJY-UHFFFAOYSA-N 433.453 4.873 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CSCCS2)CC1 1690415533 OWKYQABLSANUQB-HXUWFJFHSA-N 444.670 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1690424357 MHTGSYLXRTZYDC-VQTJNVASSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1690436455 SDLLVDLEJHNOIE-AREMUKBSSA-N 431.584 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](SC)C1 1690436693 XPDRECSKHGZMDZ-FQEVSTJZSA-N 438.645 4.841 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1690446964 IFSLASLZMWQADV-XMMPIXPASA-N 449.643 4.818 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1Cc1ccc(NC(=O)NC(C)C)cc1)C1CC1 1690548983 VUZRYLNIIMLDST-UHFFFAOYSA-N 436.604 4.744 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCN(C2CC2)CC1 1690597319 QHKOIGMXSNGQID-UHFFFAOYSA-N 426.008 4.575 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1cc(F)ccc1OC 1690605598 QFTSCCVVPNQHJK-UHFFFAOYSA-N 436.487 4.871 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1690740549 YZNUNGNOXPJTKU-QFIPXVFZSA-N 435.597 5.000 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCC[C@H]1C 1705506010 QLSCTXLESYMLLC-RTBURBONSA-N 446.064 4.946 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCc2cccc(Br)c2C1 1705512180 USYLMJXZUKMIAB-UHFFFAOYSA-N 439.357 4.975 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Cl)s1 1705701302 AIONUNZQPGNHMJ-BEFAXECRSA-N 431.993 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(OC)CC1 1705702263 GGBPUHVQKVYLLT-ZHRMCQFGSA-N 445.007 4.975 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@H]1C(=C)C 1705712151 LGNSAYXDRGAEQT-UTKZUKDTSA-N 430.980 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(COC)cc1 1705720682 NRWRJEJGIFKPQG-FGZHOGPDSA-N 426.605 4.794 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC2CC2)CC1 1705748925 FOFSVPSSGIQSHU-UHFFFAOYSA-N 425.335 4.886 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C(CC)CC)no2)CC1 1705764488 AHUWWINLVVLHFH-UHFFFAOYSA-N 436.516 4.950 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1705814065 BYAZXPJXEDHUCA-HSZRJFAPSA-N 432.616 4.731 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(F)c(C)c1 1705842534 PRPCFRQNUHTGIA-IBGZPJMESA-N 443.567 4.511 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=C)Cl 1705865610 OJBSREUCHKYKAL-UHFFFAOYSA-N 428.945 4.723 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc3cccnc23)n1CC(F)(F)F 1705879390 XDMIFKDLIVDABA-UHFFFAOYSA-N 427.430 4.884 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1705887153 QJMVZIGOLBHPBE-TZIWHRDSSA-N 444.023 4.939 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC2(CCC2)C1 1705941081 YJSQEJVZNIYNCS-HXUWFJFHSA-N 442.629 4.713 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@@H]21 1705949888 MEZKDCSDFCUSFO-FHWLQOOXSA-N 447.649 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCCCCC2)nc1 1722286498 CXTHRWPXNMWDPE-IBGZPJMESA-N 449.002 4.880 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@]1(C)C#C 1722310589 NDJRIUODQAFVBX-OAQYLSRUSA-N 429.337 4.642 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC1CCCCC1 1722347067 UZQVLFZOMYXESS-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCc1cccc(C)n1 1722395050 OLBCTYSCEAMSQL-UHFFFAOYSA-N 448.574 4.601 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1occc1C 1722405891 RYDKZXRSGNHYCH-UHFFFAOYSA-N 433.737 4.770 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CC1 1722495646 HXEQKZQYSHKBRD-VQIMIIECSA-N 431.378 4.535 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC1(C)C 1722546347 YPRSXMQIDHZHHM-UHFFFAOYSA-N 425.758 4.848 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](CN(C)CCC)C1 1722592885 AZPOWLNBHWQURX-BHDDXSALSA-N 445.696 4.967 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722611962 PJPZOBJVHBRHLW-KRWDZBQOSA-N 445.995 4.916 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722612205 GNVDZZKFTVKROA-GOSISDBHSA-N 444.023 4.942 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1csc([C@@H](C)OC)n1 1722635176 UZSXZQFMNWWPNJ-LSDHHAIUSA-N 447.992 4.906 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@]1(C)CCCO1 1722661165 VNGHOLVBIUKXKC-HSZRJFAPSA-N 426.561 4.831 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1CC(F)(F)F 1722677241 YAINBJVWDLBXLR-UHFFFAOYSA-N 426.389 4.538 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1722715476 SLEHJCCBUWQGLJ-LJQANCHMSA-N 436.478 4.664 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC(c2ccnn2C)CC1 1722733361 WTHMUQZTCYVCJA-LJQANCHMSA-N 434.588 4.522 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722743255 VNCITXIKOBSDPS-NRFANRHFSA-N 444.645 4.644 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740570237 CWJCRYFTZHUZOE-SANMLTNESA-N 446.599 4.576 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS[C@@H](C)[C@@H]1C 1740584923 SUDUZDQMMVARNW-OALUTQOASA-N 436.581 4.861 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSC(C)(C)C1 1740594372 KLZYOYHTLXHSDZ-UHFFFAOYSA-N 447.048 4.997 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCC1CCOCC1 1740600037 HOGUYONYFJYOAI-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(Cc2cccs2)CC1 1740785211 OPUCQSYMICQFIQ-UHFFFAOYSA-N 439.654 4.839 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CC(C)(C)C2)CC1 1740829405 APFPNQZFVJAKJU-KDURUIRLSA-N 429.609 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(F)c2)CC1 1740850314 FQADHJYQYJMKRF-UHFFFAOYSA-N 427.612 4.930 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 1740853854 BABNDUDAQKQYAL-OFNKIYASSA-N 431.584 4.628 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1740897224 ZNILZZNKEXQPMX-FYYLOGMGSA-N 430.600 4.571 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1Cc1ncccc1C)C1CC1 1740906479 HJIFTTJMKFKYHI-UHFFFAOYSA-N 442.336 4.753 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1740912724 PSHNHTOVYRALNI-GOSISDBHSA-N 431.625 4.669 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC2(CCCCC2)C1 1740943188 WGYJINLJCMLIGY-UHFFFAOYSA-N 425.602 4.589 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C/C=C\c2ccccc2)C1 1740986357 YUTZGRFTVDWVIA-XFVFWUSASA-N 436.600 4.691 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1741001618 ZCITWFNTPLFYLR-GOSISDBHSA-N 449.665 4.548 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1748699699 QXTYDUGPKSAUIE-PXNSSMCTSA-N 430.980 4.736 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1748725128 TWZZOFNOJAIPTP-UHFFFAOYSA-N 440.035 4.790 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCOC1CCCCCC1 1748946973 VZAWGSQNRCQUHI-UHFFFAOYSA-N 426.580 4.995 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(OC(C)C)CC1 1749021810 ARUAPPMKSKCHHQ-QFIPXVFZSA-N 426.630 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1[C@@H]1C[C@H]1CCC 1749073542 SXLKUFNPICXAMW-ZWDAVXSWSA-N 443.389 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1749137179 WUUKXOLEOHVVNV-VGSWGCGISA-N 442.947 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccco1)N(C)C 1749149288 YPOQBSIDURMZFP-QFIPXVFZSA-N 430.556 4.792 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@H]1CCCCO1 1749158117 CPUWAPFQGOEASR-DENIHFKCSA-N 426.561 4.542 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749208784 DKWRIJHWAZXNDD-UUOWRZLLSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C2CCCC2)CC1 1749414475 DQBJHRPBCZWZEG-UHFFFAOYSA-N 445.558 4.967 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1749447601 IOQRHDINAUDUSO-MRXNPFEDSA-N 428.483 4.841 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)N1CCCC1 1749507310 YGLZACXQHLQPMY-DNVJHFABSA-N 437.632 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)CN1CCCC1 1749554071 NZHHETDKFYHCOZ-HXUWFJFHSA-N 443.661 4.548 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1nc(C(C)(C)C)cs1 1749587400 SCCNVZDFLGZIHG-UHFFFAOYSA-N 436.585 4.904 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(OC)cc1OC)CC1CC1 1749617693 HTDBIXVLNRATSG-UHFFFAOYSA-N 439.947 4.613 30 10 IJEE C=CCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749637925 KSUHEWHZTTWAJV-SFHVURJKSA-N 428.989 4.932 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1749754354 KYVQWDAUANCYNB-DUXKGJEZSA-N 446.592 4.544 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC2(CCC2)C1 1749764157 UJNKBKGIVIRXPX-UHFFFAOYSA-N 430.643 4.879 30 10 IJEE Cc1cscc1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1751755589 HUIUGOIIHMNWKO-QFIPXVFZSA-N 425.533 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOCC(C)C 1760104195 UCMGKCIXWSPYSH-KRWDZBQOSA-N 433.394 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cccc(C)n1 1760121634 COFZKEFAQCDDRG-FQEVSTJZSA-N 431.584 4.559 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](CCC)OC 1760196932 UBZPGFLPWVFOJP-MRXNPFEDSA-N 426.973 4.701 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1sccc1C 1760207181 AKWVMZIQRBJFCP-UHFFFAOYSA-N 446.620 4.840 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(F)c(F)c1 1760317728 JQUXUUCVXCWHTM-UWJYYQICSA-N 428.483 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)C(C)(C)C 1760332008 RTKCPVXDRJEYSQ-UHFFFAOYSA-N 438.403 4.817 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(=O)OC)C1 1760408253 HGOLZKHGPYQSBD-AWEZNQCLSA-N 437.371 4.854 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccn2)n1Cc1nnc(C(C)(C)C)s1 1760419556 VLQCWQDYZPWKOU-UHFFFAOYSA-N 425.606 4.720 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1760421894 DBEQYOVXIOMPRP-FQEVSTJZSA-N 445.489 4.926 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1760466942 OGTZXUAOFAWQFX-GOSISDBHSA-N 432.012 4.643 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1ncc(C)s1 1760500253 GUMFWTVMKWOGKR-QFBILLFUSA-N 427.574 4.526 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnc(C)s1 1760534161 ZVCOCDCSGZRXMN-NRFANRHFSA-N 439.585 4.534 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C)s2)C1 1760549893 OJXZJEOOQWUQGA-IBGZPJMESA-N 444.988 4.710 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760569262 JFVCFSPLVPJOHU-GOSISDBHSA-N 430.618 4.657 30 10 IJEE Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@](C)(C#N)C2)no1 1761686776 BHCSRVFDCMUREH-HXUWFJFHSA-N 431.327 4.727 30 10 IJEE CCOC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@@H](C)CC#N)CCCC1 1765937129 DMRFRIHVKUYGKS-INIZCTEOSA-N 431.968 4.695 30 10 IJEE C=CCOc1ccc(C=NN=C2NC(=O)[C@H](Cc3ccc(C(C)C)cc3)S2)cc1OC 1772742165 DLEGZUKCVSBTNQ-QFIPXVFZSA-N 437.565 4.548 30 10 IJEE CCCCCCCCn1cc(O[C@@H](C)C(=O)Nc2ccccc2Cl)c(=O)cc1C(=O)O 1857890129 JLPTZINLDQARIH-INIZCTEOSA-N 448.947 4.966 30 10 IJEE Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccccc3C#N)n3ccccc23)cc1Cl 1858243083 OVQCMZBQJYKUIO-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 1860133289 KYIYQZZPMGGNOL-UHFFFAOYSA-N 439.393 4.847 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860964922 XEOJGKOIGGPYAT-DEOSSOPVSA-N 448.611 4.943 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1C 1862401415 AHTNGYYSMJNWCI-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC)cc1 1862462379 BOGQUXWDAOSLPY-HXUWFJFHSA-N 433.426 4.881 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862492909 CPLAYVZJPWAWCU-OAQYLSRUSA-N 447.512 4.842 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(CC)cc1 1862524533 HOLPGTKTVNZWHK-LJQANCHMSA-N 428.326 5.000 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@@H]2c2ccccc2C)cc1 1862532617 IDNVYJWWCOSIRC-XMMPIXPASA-N 434.580 4.868 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591308 GITOBPATTXVVGI-NRFANRHFSA-N 437.854 4.963 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862594290 RTMLZELDCBXNFI-OYHNWAKOSA-N 444.443 4.640 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862662723 LKFGICZPCDYWKX-QFIPXVFZSA-N 425.500 4.954 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862664520 KUNOBUPILJCZIQ-UPVQGACJSA-N 449.547 4.966 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2F)c1 1862702878 OFAZIUNQPFPRLA-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(OCC)c1 1862716438 GJUNYFSUGVQSMK-HSZRJFAPSA-N 429.472 4.708 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862759882 ADBCTKMKVIYLAV-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccccc2C#N)C1=O 1862885426 SVYWSUZDTZYBDW-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 1862925811 HCRPBAOVKCRNDK-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCc1ccc(/C(C)=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)cc1 1866685692 NVYQVKXBDCOIOS-GDNFTRMYSA-N 437.543 4.890 30 10 IJEE CC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866973678 LXHVULMQMGDZAC-UXHICEINSA-N 442.357 4.594 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)nc(-c2cccnc2)n1 1869364304 YJSYCQDBWAQSCS-FGZHOGPDSA-N 440.595 4.821 30 10 IJEE Cc1ccc(CC(=O)Nc2c(C#N)nnn2Cc2c(Cl)ccc(Cl)c2Cl)cc1C 1870110409 PQWUNHURUBAGJS-UHFFFAOYSA-N 448.741 4.956 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CN(C)C 1870336125 ZAFRDXNNJOQLAF-UHFFFAOYSA-N 441.616 4.905 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)Nc1ccc2c(c1)OCO2 1871428379 YEYJBGNWKMPRHS-AFPJDJCSSA-N 449.846 4.702 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871448414 KVXAQYDANSKMGE-KSJDGYIASA-N 446.459 4.569 30 10 IJEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871456313 YEPQNYJSGWEBNN-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)CCC 1871822951 XFENDIAOXYALBY-OAQYLSRUSA-N 440.675 4.707 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(OCC)cc1 1871972031 MVEPAHUCYNZTFL-QFIPXVFZSA-N 448.560 4.599 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872243534 STRMWYFQTNKFLL-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872418861 JYHSXIZDXLXQFF-XMMPIXPASA-N 434.561 4.942 30 10 IJEE COc1ccc(-c2nc(C3=C(N)N(c4ccccc4Cl)CC3=O)sc2C)c(OC)c1 1872726183 NWAVXLDWOZTJFU-UHFFFAOYSA-N 441.940 4.506 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1OC 1872760961 BZINNQXYGPHYJP-HFTQHKIXSA-N 435.461 4.625 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 1872770638 AMLSCTGJTQVMPU-CQSZACIVSA-N 443.868 4.879 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1872773732 WTFYGIYKVSGZPV-PFWMLDTASA-N 448.500 4.836 30 10 IJEE CCOCCOC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1872847762 VQFGCLQUZYMWPZ-UHFFFAOYSA-N 444.487 4.583 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cn(CC(=O)O)c2ccccc12 1873500199 JLMRFKFSVGLQKQ-DHRITJCHSA-N 447.564 4.753 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873647382 XOGMKWMALUMXLD-HDICACEKSA-N 433.556 4.607 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc([N+](=O)[O-])c1C)n2CCCC 1873656623 GACDYFPOLXTUJL-UHFFFAOYSA-N 448.527 4.879 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OC)cc1C)n2CCCC 1873656961 PDDWXRDMNNNBKH-UHFFFAOYSA-N 433.556 4.979 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1Cl 1874238542 CZVQZQGVYZSIMY-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE CCCOc1cccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCCCO)c1 1874359180 TYTWYTFMQWZWRX-KOEQRZSOSA-N 438.597 4.631 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(Cl)c1 1874377246 MMISLWYAHIISKW-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc2ccccc12 1874400332 OAXSUAJZNGTGSR-SCELWYEFSA-N 430.533 4.730 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c(O)c1 1874402257 PNHKUUHVYRPVLV-CVKSISIWSA-N 448.523 4.788 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)ccc1O 1874443384 ANPHUQZBJKHMHV-PGLVWIQMSA-N 438.553 4.717 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(F)(F)F)cc1 1874460689 BCGRVNHLALOZKR-FOKLQQMPSA-N 435.431 4.942 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)c1 1874465436 JKSYVLCDFJUDDL-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cccs1 1874477524 BCVWUDLCAFMYKN-LPYMAVHISA-N 427.599 4.912 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc(Cl)c1 1874488985 UJZUASRVCPPABO-WYMPLXKRSA-N 445.951 4.882 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OC)cc1 1874579895 NNEUTQKYMITZCF-UXBLZVDNSA-N 433.298 4.686 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1Cl 1874590397 JJNACLPZFRHGLK-ACCUITESSA-N 435.907 4.940 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 1874609208 DVFVRYVAMCUHAB-NTUHNPAUSA-N 432.432 4.517 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccco1 1874614173 ITHDAGPUYSTSAD-VZUCSPMQSA-N 439.895 4.923 30 10 IJEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707750 VJXOSANJVJCXFE-FMIVXFBMSA-N 430.456 4.858 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cnc(C)cn1 1875135790 HWRFDPKHHFWMIQ-JXMROGBWSA-N 447.447 4.516 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)c1 1875145153 CHNFHXWIJBNACM-CSKARUKUSA-N 428.481 4.569 30 10 IJEE C#CC[C@@H](C(=O)Nc1c(Br)cc(Br)cc1Br)C1CC1 1887265374 UFIUDUCIAYESAA-SNVBAGLBSA-N 449.968 4.962 30 10 IJEE FC(F)[C@@H]1CCSC(=Nc2ccc(Cl)c(I)c2Cl)N1 1918574665 BYZRVRPESNDUAN-ZETCQYMHSA-N 437.080 4.946 30 10 IJEE C=C([C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[Si](C)(C)C 1923027560 RLWZFKAOJMKVEQ-OAQYLSRUSA-N 431.697 4.568 30 10 IJEE C=CCC1(NCc2ccc(Br)cc2O)CCN(C(=O)OC(C)(C)C)CC1 1924517599 XZCIRAHGUWCECL-UHFFFAOYSA-N 425.367 4.590 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Br)ccc1Br 1982455065 FHPWECZWAZFDBV-GJZGRUSLSA-N 449.183 4.584 30 10 IJEE N#Cc1cnc2c(-c3cc(F)ccc3I)c(C(F)F)nn2c1Cl 2081222127 GGYPRJKUWBWHGL-UHFFFAOYSA-N 448.573 4.603 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2110497231 FQVYGHVLDKNFMM-IRXDYDNUSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cc(Br)ccc2C#N)cs1 2124693036 RXYYVNISFJFUEM-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2ccc(C#N)cc2Br)CC1 2174807398 BGWBSXYVUOWOFF-GOSISDBHSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181054005 RRBBWKZOOJDBOO-ZIAGYGMSSA-N 436.350 4.590 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CCCc3cc(Br)ccc32)C1 2183006207 IPSWMERTUVJDNB-UHFFFAOYSA-N 435.362 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1Br)[C@@H]1CC=CCC1 2196084967 IGWCFMPKMRUJEQ-PBHICJAKSA-N 434.334 4.509 30 10 IJEE C=CCC(C)(C)OC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119339 CDRGNRKOBQNTGM-MRXNPFEDSA-N 426.351 4.783 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)CC#C[Si](C)(C)C 2229130487 OOPRCJSXQZFAAI-KRWDZBQOSA-N 438.438 4.725 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)nc1 2235717514 BMBTTWNWYXEUAJ-GOSISDBHSA-N 430.346 4.893 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2235725230 ISUDWOYEOJFFKO-UZLBHIALSA-N 435.406 4.672 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2247810802 AUYOJKRIGMQHBD-INIZCTEOSA-N 425.403 4.797 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)c1 2254748973 BIHOGHNHOFUMJM-UHFFFAOYSA-N 430.285 4.659 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)N(Cc3ccccc3)CC(F)(F)F)cc2)OC1(C)C 2255893836 VHRKUAWJTGJIIU-UHFFFAOYSA-N 434.267 4.582 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@]34CCC[C@@H]3CCN4Cc3ccccc3)CCC2)OC1(C)C 2267506364 WVAKHTHCPCMZLB-QFQXNSOFSA-N 438.421 4.564 30 10 IJEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267593261 JQLKFPOJSWBXCN-SFHVURJKSA-N 448.397 4.846 30 10 IJEE CC(C)(C)CCN(CCOc1cc(Br)cnc1C#N)C(=O)OC(C)(C)C 2274143016 WOTUFVOFDQZOJZ-UHFFFAOYSA-N 426.355 4.768 30 10 IJEE N[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 2278793609 NCDSLUVRFKSOPS-GOTSBHOMSA-N 449.348 4.796 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@H](O)C#Cc2cccc(Br)c2)CC1 2296227812 SIWIEKIREWWUEK-FQEVSTJZSA-N 436.390 4.979 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296286331 KEWQPVSDLOZGAI-NSISKUIASA-N 435.406 4.814 30 10 IJEE COc1cc([C@H](N)C#Cc2ccc(Br)cc2)ccc1NC(=O)OC(C)(C)C 2296302881 OYOXFHCCCMUDSH-QGZVFWFLSA-N 431.330 4.856 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1 2297060234 KFIAOMMIUNWASG-DEOSSOPVSA-N 442.515 4.801 30 10 IJEE C=CCOc1c(Br)cc(C=C2N=C(c3cccs3)OC2=O)cc1OCC 2297328234 XURNBSLUSXCORH-UHFFFAOYSA-N 434.311 4.819 30 10 IJEE O=C1C[C@@H](c2coc3ccccc3c2=O)c2c(ccc3c2OC(=Cc2ccccc2)C3=O)O1 2297596012 GOUKXHVVFNOEDT-SFHVURJKSA-N 436.419 4.850 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1ccc(Cl)cc1 2314522712 UNGGVPGJIVOPOH-QFIPXVFZSA-N 442.943 4.643 30 10 IJEE CC(C=NN=C1NC(=O)[C@@H](CC(=O)c2ccc3c(c2)CCCC3)S1)=Cc1ccccc1 2314835330 FIRIWSVVOGKCKR-HSZRJFAPSA-N 431.561 4.815 30 10 IJEE COc1ccc(C=CC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 2320450795 YPQXSZLRWIXCQB-UHFFFAOYSA-N 437.503 4.878 30 10 IJEE COc1cc(C=Nn2c(S)nnc2Cc2ccc(C)cc2)ccc1OCc1ccccc1 2321968511 WANQXXKCGMFXBU-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1OCC(N)=O 2322687595 VINLVIQBIQLUNP-UHFFFAOYSA-N 446.341 4.515 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)NCc1ccco1 2322748281 MFMIKVKNWCNOBE-UHFFFAOYSA-N 443.858 4.672 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)cc1OC 2322884545 KVCOVHNGRCJELA-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325580584 KBNFTRUWVYOJQT-UHFFFAOYSA-N 428.533 4.950 30 10 IJEE C=CCOc1ccccc1C=Nn1c(Cc2ccc(Br)cc2)nnc1SC 2325925298 CMOIEPBWVSGAHC-UHFFFAOYSA-N 443.370 4.800 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2ccc(Cl)c(C)c2)nnc1SC 2326489587 PIORYYHXUNHORO-UHFFFAOYSA-N 428.945 4.988 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(N(C)C)cc1 2327117198 LNAMVELUAKLUEL-UHFFFAOYSA-N 435.597 4.824 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SC)cc1OCC 2327509139 XKMHFNUVFZQHTM-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2327579574 NBMUWRRBZJZQTN-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE COC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2328075288 BJESVJWAGLEHOR-UHFFFAOYSA-N 449.363 4.517 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccccn1 2328695516 JCTHPLSWYMVXQL-UHFFFAOYSA-N 443.576 4.684 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1F 2330597180 DHYRPPXYABBEBX-UHFFFAOYSA-N 445.589 4.769 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1cccc([N+](=O)[O-])c1 2330627332 LNGNCMAIPCXXLV-UHFFFAOYSA-N 444.159 4.721 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1cccc(OC)c1 2331180264 PBONCYJSQBSRGN-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)cc2)c1 2331378719 UWHJHQVYGRAURP-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2358671511 JJFMOXSWRCTSMM-GGPKGHCWSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)CC[C@H](NC(=O)OC(C)(C)C)C1 2358671948 PSTNEAJYNKKWGD-JLMWRMLUSA-N 435.406 4.862 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(F)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2363117569 KWBGHAHMFFELNG-QGZVFWFLSA-N 441.385 4.759 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(CC)cc2)nc2cc(Cl)ccc2c1=O 9085364 ILKOUYCEHQULCB-HNNXBMFYSA-N 441.984 4.768 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2OC)c(C)n1 32973065 BIHMFSXVPSZWJP-UHFFFAOYSA-N 447.583 4.933 30 10 IJEE Cc1nc(C#N)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)o1 33959109 SGZOSDNAYPYQCB-WYMPLXKRSA-N 447.296 4.916 30 10 IJEE O=S(=O)(c1cccc(-c2csc(N/N=C/c3ccccc3Cl)n2)c1)N1CCCC1 33960117 SSKIPFRRHRWUTN-LPYMAVHISA-N 446.985 4.694 30 10 IJEE CCCCOc1c(Br)cc(/C=C2/C(=O)ON=C2c2ccccc2)cc1OC 35132390 IKRFBWPYOZMNOX-LFIBNONCSA-N 430.298 4.981 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCC)c1 40096023 MCCSGQMOXMLBRI-MWTRTKDXSA-N 435.520 4.787 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 41358178 LBHQLXXPVFGLJA-UCQKPKSFSA-N 430.456 4.777 30 10 IJEE N#CC1(S(=O)(=O)c2cc(Br)ccc2Br)CC2(CCCC2)C1 96870133 OQYNAIJDFBVOGA-UHFFFAOYSA-N 433.165 4.602 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922085 BIRNJUZBOLGDAR-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2ccc(F)cc2)C(C(C)=O)=C1C 169933119 KBCMFDNANCOELT-NRFANRHFSA-N 428.529 4.527 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCOC(C)C 169948245 BXMFYPMYWAMPDO-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)s1 170006526 SSBOUYZUFIADJG-GOSISDBHSA-N 439.924 4.900 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170050997 SFCLPHCEKSUYIC-DEOSSOPVSA-N 441.483 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1F)c1ccc(F)cc1 170072832 OIEUKZQCICTWCF-FQEVSTJZSA-N 431.398 4.624 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(O)c2)s1 170080083 YLYNYEMYHSPMNE-SFHVURJKSA-N 442.443 4.527 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143165 BJFNKLXQPRDADX-JTHBVZDNSA-N 435.520 4.540 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170150020 WGPDLHRQNQBIHC-JOCHJYFZSA-N 435.520 4.744 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccn1 170179154 AZCWAZKZNFBGMT-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccncc2)cc1C 170205326 BDOOTEAYGLRJKJ-HSZRJFAPSA-N 444.487 4.504 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@H]3c3ccco3)ccc2O1 170296224 VOTPCEKBSAMYEU-FPTDNZKUSA-N 433.435 4.521 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(C)o1 170299188 QYYMBECXPLPSJD-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(C)o2)c1 170302077 WULWQRXTRVUOOJ-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccncc2)o1 170307810 QLMDVVUMALKJPX-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2sccc2C)cc1 170312666 RBEBKZDIANAQLH-GOSISDBHSA-N 425.531 4.905 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCCO3)cc1 170390746 GNJOBXUEGWNLPB-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1OC 170434088 PTRLTWDKNYSSKV-LJQANCHMSA-N 433.863 4.621 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\C2=Cc3cc(Cl)ccc3OC2)cc1 214047719 JQFLDUOTJVFKHW-WZUFQYTHSA-N 431.941 4.585 30 10 IJEE N#Cc1cccc(CNc2ccc(Br)c(I)c2)c1F 311726796 NODNOXDSIIGFKN-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCC2CCC(C#N)CC2)c1C 441648748 WXZYCGIMPHSZHA-UHFFFAOYSA-N 430.350 4.703 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(Br)cc1OC 501979957 HKPAWHRDBHIBKT-UHFFFAOYSA-N 435.366 4.523 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 508480936 LPXWICOCSPBPMF-HSZRJFAPSA-N 431.515 4.562 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 508510949 SLBQISCJWFWVHB-HOIFWPIMSA-N 449.020 4.573 30 10 IJEE COc1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc(OC)c1OCc1ccccc1 537172383 TYUQNGPRNQUAQZ-UHFFFAOYSA-N 443.503 4.681 30 10 IJEE CC(=O)CCc1ccc(OCCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 539102415 NJXOLWCNXGOCGV-UHFFFAOYSA-N 426.516 4.832 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N(CCC)CCC)CC2)c1 585955067 OHHKODDVRFZCFI-UHFFFAOYSA-N 428.621 4.960 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)CCc2ccc(OC)c(OC)c2)cc1 586181445 LZKVOQHXBJRRNB-UHFFFAOYSA-N 444.597 4.584 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2c(c1)CCC2 733200589 GLJHDZROOGSJEW-QHCPKHFHSA-N 445.588 4.776 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCCC[C@H]2c2ccnn2C)c1=S 799149862 TVLFPMMYNFZSFG-IBGZPJMESA-N 428.993 4.839 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 806257807 SEBOVCGRGSXOKX-FQEVSTJZSA-N 431.515 4.567 30 10 IJEE C=C(C)COc1cc(CN2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)ccc1OC 849479436 QSYZLQMLYOOOJF-VWLOTQADSA-N 439.600 4.856 30 10 IJEE CCN(CC)C(=O)CSc1nc2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2s1 1084344549 OBHQYKFHUQAABF-UHFFFAOYSA-N 444.538 4.621 30 10 IJEE CCC(=NNc1nc(SCCC(=O)Nc2ccc(Cl)cc2)n[nH]1)c1ccccc1 1084347193 DXGRXUXBYKLWHM-UHFFFAOYSA-N 428.949 4.805 30 10 IJEE CCc1c(C)sc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1C#N 1125779789 GYXSJGLHHOESBP-UHFFFAOYSA-N 429.343 4.750 30 10 IJEE C#CCOc1ccc(NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)cc1 1126141336 LTXACGNKQKRRAH-UHFFFAOYSA-N 446.316 4.578 30 10 IJEE C#CC[C@@]1(C(=O)NCC(C)(C)CCCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1126186758 WBTMQNXYDAKYIJ-SANMLTNESA-N 426.601 4.945 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CCCN1C(=O)OC(C)(C)C 1135990311 GTHWNJWEDBEQAC-AREMUKBSSA-N 435.568 4.667 30 10 IJEE Cc1nnc(COc2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)o1 1136674240 AIAVWBFPGJHLCB-UHFFFAOYSA-N 440.459 4.660 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cc2n1 1156691195 ZOAWGVBKECGCNV-MRXNPFEDSA-N 429.307 4.521 30 10 IJEE C=CCCSCCNC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1165658476 VVSHNCMJOYFGRB-UHFFFAOYSA-N 438.593 4.729 30 10 IJEE C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1c(Cl)cccc1Cl 1186293266 GTWPBQAZZGIQSR-JTQLQIEISA-N 437.270 4.966 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)cc1OC 1200830091 IMLTYLBBYCUADL-AUUYWEPGSA-N 430.932 4.874 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)[C@@H]1CCCO1 1203436812 WWUUXZXUDMTVOW-ZBFHGGJFSA-N 434.949 4.584 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1ccccc1OCC(C)C 1229742645 AMFVCLSPJJVUNG-OAQYLSRUSA-N 430.589 4.795 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccccc1 1246657085 ZNQJPBPLICBGLT-QFIPXVFZSA-N 425.960 4.905 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 1269750263 OELVPIGNEIJWGQ-WIYYLYMNSA-N 433.426 4.817 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)CCCN1C(=O)OC(C)(C)C 1278295596 GEQAEILIAZAJQH-UUOWRZLLSA-N 432.536 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1Cc1ccc(N2CCCCCC2)nc1 1286289384 LWDRFAVYKCLBFQ-NRFANRHFSA-N 428.584 4.535 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN1CCCCC1 1286516128 WOVMPPGXKHERGQ-NTKDMRAZSA-N 426.008 4.713 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286533285 GDOONZYMQOFESJ-JKSUJKDBSA-N 444.377 4.519 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(F)(F)F 1286551813 NMURFDKEHFTHJJ-FXAWDEMLSA-N 445.489 4.863 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286590203 WRHKLBQCQFTYJI-KRWDZBQOSA-N 435.538 4.892 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(Br)cs2)CC1 1286662596 QYLZALVPXZYGHO-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCC2CCOCC2)CC1 1286666458 VOSSEBVMGIYUTO-UHFFFAOYSA-N 442.629 4.798 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286667984 NYDZNOLRYIPDQM-QZTJIDSGSA-N 444.551 4.549 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCCCC1 1286743194 BNMAPAOCASVXQK-UHFFFAOYSA-N 432.616 4.741 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C)CC1)C(C)C 1286751095 MWRTWWVDLGLEEU-DNVJHFABSA-N 429.653 4.845 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2c(C)coc2C)C1 1286800310 JGWOZLQRXGFXCA-RTBURBONSA-N 440.519 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](C)N(C)C)C1 1286802396 AVFTZCBLOQUBMK-HOTGVXAUSA-N 446.020 4.545 30 10 IJEE C#CCC1(C(=O)Nc2cc(Br)cc(I)c2)CCCCC1 1287358863 GDBRVABCWMZIME-UHFFFAOYSA-N 446.126 4.966 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C 1290032883 SRWPILQNILLAAL-AWEZNQCLSA-N 433.039 4.953 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1296896524 BEKVKJJPAWHVCR-GOSISDBHSA-N 430.556 4.531 30 10 IJEE O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cccc(C(F)(F)F)c1F 1296990254 DAQRFUITDVXEAU-CYBMUJFWSA-N 429.719 4.980 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(COCC(F)(F)F)c1 1300316673 BJGHLZDTESDBDP-QGZVFWFLSA-N 434.506 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1oc(CCC)nc1C 1300324263 CEEMTCNJEUJGPX-OAHLLOKOSA-N 444.004 4.979 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCn1cc(C)cn1 1300899234 BSDWQXUMVFTWHL-SFHVURJKSA-N 428.968 4.679 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301178378 JLAUNLAMIBJYHG-FQEVSTJZSA-N 448.571 4.565 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@H](C(C)C)C1 1301179061 ZIMHBGCBHGHUIV-NRFANRHFSA-N 430.618 4.896 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCCc1nnc(C)s1 1301347653 ZBYYVBCMPXOADA-UHFFFAOYSA-N 445.596 4.634 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1Cc1sc(C)nc1C 1301355496 XTQPIVIRJOSSNW-UHFFFAOYSA-N 448.571 4.717 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1cccc(C)c1 1301427012 YNCKUAGHHUERJN-MDNUFGMLSA-N 440.632 4.948 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1301444617 VAEKLBQUAIRSAZ-RBUKOAKNSA-N 443.979 4.524 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1OC 1308322610 RBRSYLKPXDUQFM-FXAWDEMLSA-N 445.401 4.775 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)Nc3cccc(CC#N)c3)C2)C1 1310750367 BYMDSSOTENWDKJ-UXHICEINSA-N 426.561 4.644 30 10 IJEE COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)Nc1ccc(Br)c(C#N)n1 1311071418 BGPPGCAUDHZHSH-CQSZACIVSA-N 429.318 4.591 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)CC1 1311296509 OZXKIOJJLNRVCF-UHFFFAOYSA-N 430.593 4.608 30 10 IJEE C=C(C)[C@H](NC(=O)NCCOc1ccc(Br)cc1)c1ccc(F)c(F)c1 1311771546 XIBMLDRHCYFRCE-SFHVURJKSA-N 425.273 4.723 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1C 1312003534 NBOICDTUEHXYIZ-HXUWFJFHSA-N 427.342 4.816 30 10 IJEE CCCc1c(NC(=O)N(C)[C@H](C)Cc2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 1321655117 GWCKLWVDKBVJND-GOSISDBHSA-N 431.540 4.800 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)CC2)cc1 1358125364 HZPKRKPVEIOFPL-UHFFFAOYSA-N 436.437 4.751 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1358927668 GFAGOXXCOFWNFJ-FCHUYYIVSA-N 433.556 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(F)(F)F)c1 1359069401 LAVHJZQSZJEWIH-JOCHJYFZSA-N 425.458 4.708 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCCc1ccccn1 1359142883 PXWOUMLDQZTEOX-QGZVFWFLSA-N 429.927 4.774 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC=CO2)CC1 1359175737 XSKHDBLDKYWPKQ-OAHLLOKOSA-N 435.391 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359184214 HPFNXPMCYSBAII-DEOSSOPVSA-N 444.023 4.502 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1COc2ccccc2O1 1359196899 XAZNWKMLILYGHK-KNQAVFIVSA-N 426.561 4.542 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](OC)C1 1359198962 GUAXFYXGDJZUFB-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cc(C)cs1 1359339999 XLICLPSNSLCAMQ-UHFFFAOYSA-N 442.610 4.642 30 10 IJEE C#CCOc1cccc(OC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 1360098945 NMNGXTKGYWGMJW-UHFFFAOYSA-N 441.512 4.644 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 1434958238 GTWGJERJJXHBIX-UHFFFAOYSA-N 441.509 4.926 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 1446879870 RKPFWVXOPXQXND-HNNXBMFYSA-N 426.941 4.802 30 10 IJEE N#Cc1ccc(NCC(=O)NCC2(c3ccccc3Br)CCCCC2)cc1 1449862378 CYEPPRCLIOCLHA-UHFFFAOYSA-N 426.358 4.751 30 10 IJEE C#Cc1ccccc1CC(=O)N[C@H](c1ccccc1)c1ccc(OC)c(Br)c1 1456044344 PKXPEBULXQDWFD-XMMPIXPASA-N 434.333 4.887 30 10 IJEE CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)c(C)n2)c1 1460011042 HSFOXUMKYGNBNC-UHFFFAOYSA-N 448.548 4.509 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@]2(C)CC2(C)C)c1 1462528374 HYIPIHTYDQEYRP-HSZRJFAPSA-N 447.000 4.887 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(CCC)cc1 1462998404 AINJCTCWBKHSES-UHFFFAOYSA-N 426.351 4.918 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccc(F)cc1 1468328819 QXQBHIFYYMSYKG-RTWAWAEBSA-N 440.515 4.671 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C(=O)OC 1471893880 QHFZNYLVYVTFJD-GOSISDBHSA-N 440.569 4.677 30 10 IJEE C=CCn1c(SC[C@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1cccc(C)c1 1472922122 RBJWHOPUQBREGA-HSZRJFAPSA-N 434.609 4.823 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC2CCCCCCC2)C(C)C)nc2ccccc2c1=O 1472924420 UGYOEHBOVMZMPG-OAQYLSRUSA-N 427.614 4.928 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3c(F)cc(F)cc3[C@H]2C)n(Cc2ccccc2)c1C 1473276439 FRBPAHSEPVMGIF-GOSISDBHSA-N 448.517 4.861 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2C)C(C)(C)C)cc1 1475972247 BNZKCTCHSZVHEM-OAQYLSRUSA-N 429.586 4.710 30 10 IJEE C#CCC1(NC(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCC1 1477236611 LTAUUQUEGUQICL-OAQYLSRUSA-N 431.536 4.562 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1479318236 RGOCVFVLBWPMRW-UHFFFAOYSA-N 439.357 4.923 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1507573383 GNHIJNSZDVCTGW-QGZVFWFLSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CC#N)CC1 1507575572 HGFPGLXJKVVABY-UHFFFAOYSA-N 426.362 4.560 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1507697878 DQWAYGJFVJPVEH-FQEVSTJZSA-N 446.064 4.804 30 10 IJEE C=C(C)COCCn1c(N2CCC(Nc3ccccc3Cl)CC2)nnc1C(C)(C)C 1507849195 UEPCBRPCLDUBBE-UHFFFAOYSA-N 432.012 4.903 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)CCC(C)C)CC1 1507887218 AREFBFCYMUWSNP-QHCPKHFHSA-N 432.996 4.854 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccn1)c1ccccc1 1507930280 VPVZVRZQEQTPNT-HSZRJFAPSA-N 441.583 4.531 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507999240 YPYBHECHHHPJRG-VTYHHJSWSA-N 447.583 4.745 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)c1ccccn1 1508014736 YUSRIGRZQKOPHI-UHFFFAOYSA-N 426.568 4.988 30 10 IJEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)CC[C@H]2C)ccn1 1516882001 CXQWQPACPRHQJP-QZTJIDSGSA-N 432.597 4.997 30 10 IJEE O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1ccc(OCC(F)(F)F)c(Cl)c1 1519050867 HOJDPHVZXBRRCO-UHFFFAOYSA-N 433.711 4.992 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@H]2C)c1 1526127165 VLXZXESIFHFQDF-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE C=CCn1c(SCC(=O)OCc2c(C)nsc2C)nnc1-c1ccc(Cl)cc1 1527037692 ONAVUXIYSODJJE-UHFFFAOYSA-N 434.974 4.693 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc(OC)c1OC 1528659433 AUFHEPGPQVMSHL-UHFFFAOYSA-N 432.442 4.873 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1OC 1529385874 FHTIFYNTGOWSNK-DESYSQHQSA-N 446.469 4.687 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(c4ccc(Cl)cc4)CC3)CC2=O)cc1Cl 1529839433 BRBWWRGMCWADCS-GOSISDBHSA-N 442.346 4.624 30 10 IJEE C#CC[C@]1(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)CCCN1C(=O)OC(C)(C)C 1530236324 PEBDDWGKBIXUBI-HSZRJFAPSA-N 444.915 4.831 30 10 IJEE Cc1cc2c(cc1Br)N(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)C[C@@H](C)O2 1532132599 CYTBOTIGPCORSL-CYBMUJFWSA-N 431.305 4.860 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)sc2c1CC[C@H](C)C2 1533864179 ARMBSAQOPUFLQW-GJZGRUSLSA-N 426.538 4.716 30 10 IJEE CC(C)[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)c(F)c1 1534154501 GFCKHMGYKZISEP-QVKFZJNVSA-N 432.854 4.783 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 1534379253 AGZBQFVTZJWQLJ-UHFFFAOYSA-N 443.469 4.664 30 10 IJEE C#CCCOc1ccc(C(=O)OCc2ccc(I)c(Cl)c2)cc1 1537173645 YMBNRMGXLSMHER-UHFFFAOYSA-N 440.664 4.704 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)cc1 1537824772 DSBJRWJUMVKWGN-KSEOMHKRSA-N 440.337 4.983 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 1537894021 OUEMNGLFJHFUDB-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1539305755 NWIJJMWFQRQMBX-PSWAGMNNSA-N 445.655 4.729 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1539384905 QODMVYNZZCBMNV-RBBKRZOGSA-N 426.580 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ncccc1C 1539539116 PYCDRJSTMPBYMP-QFQXNSOFSA-N 429.568 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CCSCC 1539628555 RGGAXHRNESFIBO-ZVDOUQERSA-N 429.634 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CCOc1ccc(Cl)cn1 1539672232 UWRYUOGDXQMERT-UHFFFAOYSA-N 425.964 4.707 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1539691082 FYXSLNDUGNFBNV-QFIPXVFZSA-N 445.615 4.714 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1539729687 RGJABKSLYACBAU-GASCZTMLSA-N 437.357 4.532 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)c1cccs1 1539736415 XICMBRDLBZPRIJ-KRWDZBQOSA-N 440.569 4.568 30 10 IJEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CCC(F)(F)CC2)C1)c1ccccc1 1539765509 FXFCZASLVKZYHV-UHFFFAOYSA-N 443.542 4.536 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2ccccc2C)CC1 1539894531 KHIDYYBQOLINSX-SFHVURJKSA-N 437.613 4.812 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539911196 YDHUTGJXALBOLT-HXUWFJFHSA-N 446.599 4.591 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1539939245 FRQZLIXHQJPXTL-QFIPXVFZSA-N 447.583 4.511 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccnc1)C(C)C 1540136962 OHZHOLBXYKUPNA-GOTSBHOMSA-N 449.574 4.949 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1540139215 AGEIZECRULJEHB-INIZCTEOSA-N 441.567 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccccc1OC 1540147379 QKVQXJXBQUDRHM-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1541773944 DJTXTIVMHXQLBQ-YTQUADARSA-N 433.478 4.724 30 10 IJEE CC1(C)C[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1 1541998527 FNGMWGIVXFYOIW-KRWDZBQOSA-N 428.378 4.884 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC[C@H](C)C2)cc1C 1542423850 ALEZSBPXPMXBHV-LAUBAEHRSA-N 434.588 4.714 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1543122282 QXKRBBWPHKSAHJ-IBVKSMDESA-N 435.568 4.667 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cccc(C3CCOCC3)c2)nnc1-c1ccco1 1543800422 CICYSXZZGLMXLQ-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE CS[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C#N)CC1)C(C)(C)C 1555854375 AQFRFLLITGOSJN-NRFANRHFSA-N 436.629 4.868 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 1556994483 DOTIDXACNJQTRX-LJQANCHMSA-N 426.582 4.959 30 10 IJEE CC#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 1557364724 XBPJXAFGOJRROJ-PHKMIBKXSA-N 430.935 4.879 30 10 IJEE C=CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1562128834 OBQADRJVEZPREP-SFHVURJKSA-N 445.585 4.904 30 10 IJEE C[C@H](Oc1cccnc1NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 1562660137 HDAVUXOQSNMKKE-IBGZPJMESA-N 441.535 4.884 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCC[C@H]1SC)[C@@H]1CCOc2ccc(Br)cc21 1565014666 JDKGEVHCVJCMNC-ZHALLVOQSA-N 437.403 4.592 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1567780794 RNCTWNFGZRMXQX-OAQYLSRUSA-N 443.494 4.700 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 1570279825 VGCNWXKFYQARBH-OAQYLSRUSA-N 444.531 4.873 30 10 IJEE N#CCCN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 1584857764 BJDAITBYHMCQTD-UHFFFAOYSA-N 441.698 4.744 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 1584863152 CUTIQKJGFBYRLO-HSZRJFAPSA-N 448.588 4.737 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)OC(C)(C)C1 1587723191 COSWFSXSWOWCTR-HXUWFJFHSA-N 448.567 4.924 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCN2CCc3ccccc3C2)c1 1588238695 FEAXTRHKWYRCHB-UHFFFAOYSA-N 431.923 4.792 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CC2(CCOCC2)C1 1588266294 OALGGKATZSQHBO-NRFANRHFSA-N 436.600 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC[C@@H](O)C1 1588288690 IIGRHUMZTATFJS-FXAWDEMLSA-N 438.572 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(C)cc1C 1589599104 BISCRWTWVFTJIA-VWLOTQADSA-N 426.605 4.581 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](CC)O[C@H](C)C1 1589731220 DDBBKNAOXCCIMH-HIFRSBDPSA-N 439.785 4.941 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1593654775 JJFNHKALFGIVSY-GOSISDBHSA-N 431.625 4.717 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1593807069 HUYURQBQSCFXIQ-ZYSHUDEJSA-N 436.959 4.950 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ccc(Cl)cn2)CC1 1594036444 USPPYROKOTWCPJ-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2cncn2)C1 1594522105 WJHBKSHZSXJFFN-NRFANRHFSA-N 449.603 4.509 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCSC1(C)C 1594914297 ZTLRNBMZRTUMKB-GOSISDBHSA-N 430.618 4.895 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1595065807 YJPQZHVYMLETSQ-UHFFFAOYSA-N 447.583 4.941 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1(OC)CCCCC1 1595094326 QRKISOJLQWCOKI-UHFFFAOYSA-N 444.583 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@H](O)C1 1595161613 GCXPZNYUSINISY-CTNGQTDRSA-N 440.588 4.813 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)c2cccs2)cc1 1595614401 SXZFBGOINWDESC-QGZVFWFLSA-N 434.569 4.551 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1595895728 PMKWOTABZPQOSR-HXUWFJFHSA-N 444.601 4.567 30 10 IJEE C=CCCC[C@H](C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1)c1ccccc1 1598197755 LQJNHRBQNFOVIL-ILWGZMRPSA-N 427.491 4.820 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CC(C)(C)CC 1613313833 CFKUOOOMTJLARV-LJQANCHMSA-N 445.615 4.974 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F 1621845828 CQYOOAQVILJLHQ-UHFFFAOYSA-N 444.450 4.680 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1)C(C)(C)C 1622200113 AATPBMOGSBRPND-GOSISDBHSA-N 440.334 4.707 30 10 IJEE C=CC1(CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)CN(C(=O)OC(C)(C)C)C1 1623660853 OSMYLEHBIZHIGS-NRFANRHFSA-N 428.573 4.952 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)N[C@H](c3c[nH]c4cccc(F)c34)C(F)(F)F)CCO2)c1 1625854855 FPNDLYJMTKSQNP-UYAOXDASSA-N 446.404 4.565 30 10 IJEE COC(=O)[C@]1(C)CCCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1625884164 GEPNFGIXEWFNDM-OAHLLOKOSA-N 444.347 4.783 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)c1 1626120399 FJGUVVHELGMFNS-UHFFFAOYSA-N 444.965 4.821 30 10 IJEE C#C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1628400531 IJRRKDSRMQCZQP-LAUBAEHRSA-N 428.001 4.556 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)s1 1628596666 FNMMQDCDXTTXIN-QGZVFWFLSA-N 446.414 4.831 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(C(F)(F)F)c(O)n2)cc1 1630682889 XNOZZLHPWGBAHU-UHFFFAOYSA-N 427.382 4.703 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)c1 1631459329 MTTHQJDFHKCGGP-UHFFFAOYSA-N 440.471 4.758 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](CC)Cc1cn(C)c2ccccc12 1635097051 WCSKATHNLYFNOU-HXUWFJFHSA-N 428.536 4.680 30 10 IJEE C=CCOc1ccc(CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C(C)(C)C)cc1 1642215107 CXKVLLFFARQKMB-UHFFFAOYSA-N 439.512 4.758 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(CC)(N3CCCC3)CC2)s1 1642298052 IGBSGKSGRCWNGV-UHFFFAOYSA-N 428.067 4.706 30 10 IJEE C#CCOc1cc(F)ccc1NCc1cc(Br)cc(Br)c1O 1655734305 DBQANQSOZXTNPR-UHFFFAOYSA-N 429.083 4.680 30 10 IJEE COc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCC(c4ccc(C#N)cc4)CC3)n2)cc1 1656288769 GZTLIAXXMDEVEQ-QGZVFWFLSA-N 446.576 4.897 30 10 IJEE N#CCCn1cc(CN[C@H]2CCc3c2ccc(F)c3Br)c(-c2ccncc2)n1 1657984714 ATNMKVOXMCGUTI-IBGZPJMESA-N 440.320 4.537 30 10 IJEE C=C[C@@H]1CCCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1663106624 TWZHIZGZUNUVJU-TZRRMPRUSA-N 445.028 4.678 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)c1ccc(Br)cc1 1664133160 HNWGHZHUTHJGIF-HNNXBMFYSA-N 440.771 4.970 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2Cl)c1 1666099970 AMHZPXGKLHOBGH-UHFFFAOYSA-N 427.909 4.691 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 1669164034 CQBOCZSYWYTWIE-UHFFFAOYSA-N 430.599 4.663 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 1670260703 RSYVKGMSACOQBI-ZDUSSCGKSA-N 436.965 4.831 30 10 IJEE O=C(NC[C@H]1COC2(CCCC2)O1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1672597289 BPYWYJWEEUKWRB-ZDUSSCGKSA-N 444.347 4.783 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccccc1OC)C(C)C)c1ccc(Br)cc1 1680085137 NTAXYXGDMRLDEY-UXHICEINSA-N 429.358 4.699 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](OC(C)C)c1ccccc1OC)c1ccc(Br)cc1 1681620595 HPLRJJYKMBJVCP-TZIWHRDSSA-N 445.357 4.598 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1683772184 OGPSAVAWSGOPFK-UHFFFAOYSA-N 427.520 4.748 30 10 IJEE C=CCOCCCNC(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1687074618 MZJRVYPSVURMPP-JOCHJYFZSA-N 431.374 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@H](c1cccs1)N1CCCC1 1689863129 NIKJISDROUHLGK-IFMALSPDSA-N 449.624 4.522 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)O[C@H](C)C1 1689877003 OGHOJWCTCIZASG-HDICACEKSA-N 435.597 4.794 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1689895568 YNWIPJNKZCDDQH-UXHICEINSA-N 442.554 4.594 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1689897935 MKRAUUKKTIBUNI-UHFFFAOYSA-N 448.640 4.827 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1689918288 XKGAYRZIRMBHRY-QFIPXVFZSA-N 445.405 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1Cc1cc(C(CC)CC)no1 1690207576 DJCHVYJAOIBACM-RUZDIDTESA-N 435.547 4.940 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC2CCCCC2)CC1 1690249340 XGHNIFWBHPAVGK-ISKFKSNPSA-N 443.680 4.550 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](CC(C)C)N(C)C)CC1 1690402720 NPLOKTGVFBNDBP-JOCHJYFZSA-N 447.631 4.714 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690456362 FCFABWXNPDCPJZ-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@@H](C)C1 1690503695 LHXHAANCGWBBDC-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)cc(OC)c1 1690577308 GGRFDFVTCUKLDV-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@](C)(CC)O1 1690607386 LLPHURHPRASNPP-OFVILXPXSA-N 435.572 4.824 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OC2CCCC2)nc1 1705480437 RXOMJBKATCYAOH-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1705510369 YEDZLAJIMHJIDG-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705527954 QAXOFQMGRKIJCS-WOJBJXKFSA-N 434.540 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCSCC(F)(F)F 1705672301 SFYHMZYVSIWKIR-OAQYLSRUSA-N 447.530 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CCN(CC)CCC(F)(F)F 1705673967 TYQVKGUBNOQENW-JOCHJYFZSA-N 433.522 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1705675360 LWHRECQGFYEMDM-SQJMNOBHSA-N 440.035 4.635 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)[C@@H]1C 1705733476 ORUKBTGOPKGFNT-JKSUJKDBSA-N 437.009 4.530 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705785200 ZLVGJOKQMUWEST-QHCPKHFHSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C)s1 1705794408 HLAHJJZWLJGGRF-UHFFFAOYSA-N 436.585 4.732 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1705801867 UKAOQFBFIJTERV-IBGZPJMESA-N 436.304 4.645 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@](C)(O)c1cccs1 1705862359 HOWGEMSRLADFAG-QHCPKHFHSA-N 426.561 4.847 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC 1705864585 GOJGWFHGSJLKRX-UHFFFAOYSA-N 449.578 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705872708 IMNAVWDIHBHAJH-KRWDZBQOSA-N 430.581 4.625 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1[C@H]1C[C@H]1C 1705882464 XXAIYQWXDRMVEK-WBMJQRKESA-N 425.758 4.581 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1705913316 KPQAKVSGHBMWKP-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)C1 1706327034 HUSYZRJHKMQZJM-GBXCKJPGSA-N 435.597 4.658 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1709009287 HTAVFFUCLXGRJK-SFHVURJKSA-N 445.615 4.596 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1722318017 ALOSCQDDQMBJHN-NRFANRHFSA-N 425.533 4.646 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCN1CCCC 1722362730 SPZRQINCKHFFGF-NRFANRHFSA-N 425.646 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1722500237 BQCQXZXEJCBQAY-JTSKRJEESA-N 442.560 4.675 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]1CC 1722529901 HHOAUJAVNYCCBQ-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(OC)C2CC2)CC1 1722574991 UVZOGAUASPNLHK-OSPHWJPCSA-N 428.552 4.775 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1722648309 MRLSJYHDNRWYPM-UHFFFAOYSA-N 438.457 4.628 30 10 IJEE N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1731185372 ADELPHFMEWVQLZ-HNNXBMFYSA-N 437.441 4.722 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740750403 BNTKSOMLXWEBSP-TYPHKJRUSA-N 430.980 4.614 30 10 IJEE C=C(Cl)Cn1c(N(C)C[C@H](C)CCC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740815871 MUXULCWIOLUYOC-OIISXLGYSA-N 426.005 4.674 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740857023 ANTDEIFRKKEMSX-VXKWHMMOSA-N 437.588 4.651 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740860340 AMIUNSSOQCFWJS-UHFFFAOYSA-N 449.624 4.888 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740878291 KHWDQRFFXWOAAU-LEWJYISDSA-N 443.636 4.717 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740892282 SUSJMIASMANTPE-RTWAWAEBSA-N 439.604 4.842 30 10 IJEE CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1744292081 GOJWPIBGNBNNHY-INIZCTEOSA-N 434.371 4.951 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCc1nccs1 1748642459 PAIGAWNFSUGYBS-HOTGVXAUSA-N 429.977 4.619 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1csc(CC)n1 1748735361 PWAVBYDSRJGZGU-UHFFFAOYSA-N 444.402 4.776 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cn(CCCCC)nc1C 1749060943 GCEUQBMNIFJSJQ-AREMUKBSSA-N 441.583 4.552 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1nccs1 1749123985 KIASMDGAGZLAOI-BEFAXECRSA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc2ccccc2s1 1749142944 AUVHTVOJYUTQCN-QHCPKHFHSA-N 426.586 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1749150332 UKGPORWMNJKVJP-KRWDZBQOSA-N 431.556 4.647 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cc(F)c(F)c1F)C1CC1 1749511215 GNYVQWBWMKIKPC-UHFFFAOYSA-N 437.828 4.753 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccccn2)CCC1 1749583189 WPVBFGNYTVNIHZ-IFMALSPDSA-N 435.616 4.892 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCOCC1 1751113334 IDFLVOVWGCDNMN-GOSISDBHSA-N 435.597 4.620 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCC[C@@H]1CC 1760101824 VXBBIAXAFRCVCI-RTWAWAEBSA-N 430.600 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCCS1 1760119656 CAJBOYCRPIFDDL-ICSRJNTNSA-N 447.048 4.995 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1c[nH]c2ccccc12 1760124667 KRRUNIPGBKBPGS-QTGUNEKASA-N 433.600 4.769 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760134023 XSQHPOIFQNHFDP-VWNXMTODSA-N 444.627 4.711 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760274271 HWUDSYVPLNTOMQ-VXKWHMMOSA-N 440.657 4.970 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1760302409 CAXQPLLTUPGYIF-UHFFFAOYSA-N 444.160 4.762 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1760404726 KJOOIKHJPGXJPH-UHFFFAOYSA-N 445.633 4.590 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OCC(C)C)c2)CC1 1760405182 NURRXYUWPQCHMC-UHFFFAOYSA-N 448.615 4.625 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)C[C@@H]1CC)c1ccccc1 1760416360 BGXUCVCQZSOMCF-FCEUIQTBSA-N 444.583 4.910 30 10 IJEE C=CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCSC(F)(F)F)C1CC1 1760473107 KRWYVLKJWJOVDB-UHFFFAOYSA-N 434.491 4.539 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1Cc1c(CC)nn(C)c1CC 1760492144 HRPUNOMPRAIVFQ-UHFFFAOYSA-N 441.583 4.578 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCCC[C@@H](SC)C1 1760532431 VLASLROBSVWOGX-HXUWFJFHSA-N 435.597 4.675 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1760973570 AWRGFWWMSGDXEG-LZNRXBQRSA-N 429.996 4.712 30 10 IJEE Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@H]1CCCCO1 1761617897 CTHRZAVQEDDSAF-HXUWFJFHSA-N 436.585 4.567 30 10 IJEE CCOc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)c1 1860657487 KOCVKWDGRHTTFW-KRWDZBQOSA-N 439.581 4.807 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862415871 AEXPZDJOCOULTQ-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432668 KGOBVGQLVRVYLB-BEFAXECRSA-N 432.303 4.751 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC)c(OC)c1 1862450534 KAVLGJQTYQUHIY-RBZFPXEDSA-N 429.900 4.734 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862482797 VDIGJDIBRZKQCH-HXUWFJFHSA-N 447.362 4.832 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1OC 1862509528 KGYZAKSOTQDUMZ-JOCHJYFZSA-N 441.499 4.776 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862676929 UVELMUKOIWVIHO-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 1862714580 DDEGJOQPILJWFU-HSZRJFAPSA-N 433.479 4.984 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccc(Br)cc2)C1=O 1863196393 JVOHLHVFOUEULL-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE C=CCN1C(=O)C(Nc2cccc3c(O)cccc23)=C(c2ccc(OCCC)cc2)C1=O 1863344599 ZXNSEFFMTWCVEG-UHFFFAOYSA-N 428.488 4.712 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1c[nH]c2ccccc12 1864557011 WDNDFHRSAKNTRW-OAQYLSRUSA-N 449.599 4.635 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c[nH]c3c(C)ccc(C)c3c2=O)c1 1866417350 AOHNFQJYMRRXOP-UHFFFAOYSA-N 435.483 4.808 30 10 IJEE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866781412 IVWONHMHEBIMCB-DNQXCXABSA-N 429.495 4.753 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2Cl)c(=O)cc1CSCC 1870209633 WEYAFCNNRUKIBU-UHFFFAOYSA-N 427.353 4.612 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1ccc(C)c(F)c1 1871197934 GYJWPGKPGCUFKT-UHFFFAOYSA-N 449.526 4.728 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)cc1C 1871250941 FHGYOUOXMLEMKX-UHFFFAOYSA-N 445.563 4.955 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872244426 GCBKTKJCYNXOBZ-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2nc1C 1872760167 IKKJCXXLIUSMKJ-KRWDZBQOSA-N 429.461 4.768 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2cccc(Br)c2)C1=O 1873228653 WBYVNSXZXXMXCN-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SC)cc1 1874265515 BDGFSCAONXPQSJ-OEAKJJBVSA-N 429.977 4.961 30 10 IJEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccncc2)c1 1874344330 IEHBALBYFFNTID-YZSQISJMSA-N 429.549 4.778 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCCCO)cc1 1874579670 ATDNVUFZMADAGV-JXMROGBWSA-N 449.341 4.904 30 10 IJEE C=CCOc1c(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Br)cc1OC 1874587800 FVDIARBJUPRUQX-RMKNXTFCSA-N 433.298 4.936 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)c(OC)c1 1874714257 MCJYXHWQRFMJMV-SDNWHVSQSA-N 432.472 4.974 30 10 IJEE COc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1OC 1875127437 DSYCYCIJZXFWOF-ZRDIBKRKSA-N 448.471 4.836 30 10 IJEE C#Cc1cc(CC(=O)O)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887520951 PBPGMWUZQVFGRK-UHFFFAOYSA-N 425.484 4.989 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2c(Cl)cccc2Cl)c1 1891210416 DNOKKHZKWRHZFE-UHFFFAOYSA-N 433.379 4.971 30 10 IJEE CCC#CCSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307229 HOQJSHLXBCNPND-QFIPXVFZSA-N 437.561 4.904 30 10 IJEE CC(C)(C)OC(=O)N(CCOc1cc(Br)cnc1C#N)Cc1ccsc1 1903471044 CFFGCFUMIBWBBD-UHFFFAOYSA-N 438.347 4.593 30 10 IJEE N#Cc1ccc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)s1 1951423086 ITWDWLIDGNKYFP-QFIPXVFZSA-N 432.501 4.544 30 10 IJEE N#Cc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](F)C(=O)O)c1 1957734597 NHBNDCQCMXCHRD-DHIUTWEWSA-N 430.435 4.561 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Br)cc1Br 1992885150 NERHFMFLTOUMQI-AWEZNQCLSA-N 447.167 4.793 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2Cl)NC)C1 2077086330 UQSVCSMIEFZFBE-MRXNPFEDSA-N 429.786 4.847 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2ccc(C#N)cc2Br)CC1 2106955536 HJUDXUPYILDLEX-INIZCTEOSA-N 426.330 4.718 30 10 IJEE Cc1c(Nc2ccc(I)c(Br)c2)ccc(N)c1C#N 2142498273 FTWQKPHLKRBVNQ-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2nc(CCC)[nH]c2Br)C1 2183011470 OLGDQDUXRSAWLS-INIZCTEOSA-N 441.414 4.636 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1c1cc(Br)ccc1C#N 2185155362 WLYSFSLCTYRPRQ-INIZCTEOSA-N 444.320 4.840 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCC(=O)Nc2ccc(Br)cc2C#N)C1 2203257143 GJVCPCSJNRJBBC-CZUORRHYSA-N 436.350 4.733 30 10 IJEE C=C([C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221681710 NMDQDZBPBSTXDA-SJORKVTESA-N 428.443 4.679 30 10 IJEE C=C([C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221688580 NMDQDZBPBSTXDA-DLBZAZTESA-N 428.443 4.679 30 10 IJEE Cc1ccc(C(=O)[C@H](C#N)c2ccccc2Br)cc1I 2232423170 JSRZXFLWJLGAPX-CYBMUJFWSA-N 440.078 4.852 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@H](O)C#Cc3ccccc3Br)c21 2235742990 HJDAYRVBTRIUOA-LJQANCHMSA-N 428.326 4.832 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2252604254 QXTFFTZCIPUDCD-FOIQADDNSA-N 447.498 4.858 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3scc(Br)c3Cl)C2)OC1(C)C 2253630347 SGYZMWALYYFJBY-SNVBAGLBSA-N 434.592 4.862 30 10 IJEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)c1 2256625552 YHQSWNZMZMPLPZ-UHFFFAOYSA-N 430.354 4.513 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2261831805 JENZAAHXAARDJG-OFVILXPXSA-N 447.572 4.655 30 10 IJEE CN(Cc1cccc(I)c1)c1c(Br)cccc1C#N 2269700080 RBMHFMQCHCJMBC-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(C)n2)CCCN(C(=O)OC(C)(C)C)C1 2272241936 GDXIVFNEXMQGSQ-IBGZPJMESA-N 426.355 4.520 30 10 IJEE C=CCCC1([C@@H](C#Cc2ccccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281037018 FEBHPDVQPWONJO-LJQANCHMSA-N 433.390 4.592 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2cccc(Br)c2)CC(C(C)(C)C)C1 2296220335 XEAPURJLNSKRNN-OJCRERRGSA-N 436.390 4.881 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)(C(=O)C#Cc2cccc(Br)c2)CC1 2296224202 HVWCAALORBFPPP-UHFFFAOYSA-N 438.337 4.747 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@@H](O)C#Cc1cccc(Br)c1 2296227429 OOVPIADIISCVPX-QUCCMNQESA-N 436.390 4.883 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296267896 YDGYUEOQNHRMTA-RSPOEFSDSA-N 433.390 4.567 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2cccc(F)c2)C1=C(O)c1ccco1 2296766386 HLDJICZWSGGTPA-GOSISDBHSA-N 438.411 4.794 30 10 IJEE CCc1ccccc1NC(=O)CSc1nncn1N=Cc1ccc(Cl)cc1Cl 2321240813 QZTFXSZKZCEIFN-UHFFFAOYSA-N 434.352 4.760 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1OC 2322748285 MZLWKKJPIWGKHJ-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCCCCCOc1c(OC)cc(C=NNc2nc(O)cc(C(C)C)n2)cc1[N+](=O)[O-] 2323248123 FQNHMJBATAKERR-UHFFFAOYSA-N 431.493 4.628 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2324186175 LVZHPZPNYBVMJB-UHFFFAOYSA-N 428.460 4.657 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1cccc(OC)c1OC)C2=O)C(=O)O 2324781939 LPLVFTWOWCMEAK-LJQANCHMSA-N 426.465 4.651 30 10 IJEE COc1ccccc1CNC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2325272039 HINQACVSFILCIS-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc2c1C(=O)C(=Cc1ccco1)O2 2325744298 ALHMVEUEYIDOQV-UHFFFAOYSA-N 446.484 4.644 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)C=Cc3ccc(Cl)cc3)CC2)cc1C 2325883585 NNHDQQQCMIOGAK-UHFFFAOYSA-N 447.984 4.803 30 10 IJEE CCc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCCCO)cc1 2327987577 DKGYPKQUTHGAHA-UHFFFAOYSA-N 428.989 4.636 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(Cl)c(Cl)c1 2329039261 LYSSJXZZTLKBEW-CQSZACIVSA-N 440.400 4.694 30 10 IJEE CCSc1nnc(CCOc2ccccc2)n1N=Cc1cccc(Br)c1 2329176835 HIOUEUAWFBRVKP-UHFFFAOYSA-N 431.359 4.656 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccc(O)c2)cc1 2329278258 CUIKFYIMTMHDPN-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc[nH]1 2330246647 VPTHZZSVHJBWHR-UHFFFAOYSA-N 436.585 4.650 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(C(=O)O)cc1 2330812615 SIPXURHRRAECBC-UHFFFAOYSA-N 426.517 4.879 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1 2331360236 QBCCDLQGMYPSTN-NRFANRHFSA-N 445.309 4.747 30 10 IJEE CC[C@@H](NCC[C@@H](C)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514337 VFEWKXKZMRYXFQ-PXDATVDWSA-N 436.449 4.937 30 10 IJEE N#Cc1ccc(F)c(COc2cc(Br)cc(I)c2)c1 2338895671 QFDCDIVMVSYQAV-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)ccc1OC 2339197428 VRKWNFKUALEYDV-FUHWJXTLSA-N 427.383 4.968 30 10 IJEE CC#CCN(C[C@@H](Cc1cc(Br)ccc1C)NCCC)C(=O)OC(C)(C)C 2363133054 PLPWTOMTWQXDRW-HXUWFJFHSA-N 437.422 4.929 30 10 IJEE COc1cc(C#N)ccc1OCc1ccc(I)c(Br)c1 2377437646 RUISJKQSDPWFJV-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE C=CCOc1ccc(Cl)cc1/C=C1\C(=N)N2N=C(c3cccc(C)c3)SC2=NC1=O 8495349 AMURUGSTCRNQRU-HGPWHKJCSA-N 436.924 4.881 30 10 IJEE Cc1ccc[n+](/C(C(=O)c2ccc(OC(F)F)cc2)=C(/S)NCc2ccccc2)c1 28777361 ZAQSPGXAUNGUKL-UHFFFAOYSA-O 427.496 4.613 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2ccccc2OC)c1C 32971692 LLPROIQPPRFMNB-UHFFFAOYSA-N 439.947 4.580 30 10 IJEE CCCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N/c1ccc(OCC)cc1 33293855 SSEZGAPPASYUHX-HNPUNDFXSA-N 427.482 4.713 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccc(Br)cc1 33514009 QQXIYYQVLZYESN-NHDPSOOVSA-N 436.261 4.722 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)s1 35568501 FODCKDZAKJPKRE-QUCCMNQESA-N 440.565 4.641 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCN(c3ccccc3)CC2)C1=O 41585155 ZNYPYRWPKLWXRB-UQQQWYQISA-N 426.516 4.639 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(Cc1cccs1)CO2 41588811 JYPLYELWWITJGL-WNFQYIGGSA-N 433.485 4.754 30 10 IJEE C=CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccc([N+](=O)[O-])cc1 59792352 VKMYJZDVLNTBDX-UHFFFAOYSA-N 438.444 4.521 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 62896969 KKEAKVBLHPWEIU-UHFFFAOYSA-N 425.485 4.539 30 10 IJEE CN(C)c1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)c1 66437608 WDRHSEHUDFKZDO-UHFFFAOYSA-N 443.526 4.814 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926078 MQMKENLSPVLWOB-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC(C)C)c1 169939042 XVMQEKZPDVILHV-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc([N+](=O)[O-])c1OC 169942909 VOPLNYWLQYPRLV-NHDPSOOVSA-N 428.470 4.580 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1C1CCCCC1 170123945 XAPHBWFBEXMFCF-LJQANCHMSA-N 426.538 4.680 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)cc1 170170215 FBKWPIQYUWPAKA-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CC[C@H](C)OC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)cs3)=C2N)c1 170180057 QIBICZJIHOYVRV-INIZCTEOSA-N 447.560 4.790 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)c1 170189997 GISDNPKEGIZHJP-DEOSSOPVSA-N 440.499 4.757 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC)cc1 170216055 AOWFNMIVRBXDSL-NRFANRHFSA-N 438.480 4.762 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2)ccc1F 170234638 APNOHEHSPXRLOB-NRFANRHFSA-N 427.435 4.793 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)cc2)cc1C 170235743 HPHZUHSZSSRWSU-OAQYLSRUSA-N 443.927 4.662 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3ccccc3F)ccc2O1 170248965 ONOOYKQHAWRJBR-FATZIPQQSA-N 445.446 4.638 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3cccc(O)c3)oc12 170264413 ZBYJORATCTTWMZ-NRFANRHFSA-N 433.460 4.668 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1OC 170284926 WHKVVWCVYNPHGW-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1c(C)[nH]c2ccccc12 170312026 DBCLEXAGTOBAEQ-HSZRJFAPSA-N 430.504 4.790 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccncc1)c1cccs1 170356995 NPFUKCXZFIWDDB-KRWDZBQOSA-N 446.406 4.825 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2C)c1 170399064 HXABKQQWRCFZOO-NRFANRHFSA-N 431.444 4.548 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccncc1 170406459 PDARCRFGXOPPRO-IBGZPJMESA-N 435.277 4.627 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(=O)OC(C)C)c2)c1 170460181 VEMWYPNOZPTUFN-QFIPXVFZSA-N 445.471 4.936 30 10 IJEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)S/C(=N/N=C/c2ccccc2)N1Cc1ccco1 210514767 HDTNWDSDIPFFPN-WLAAGDGTSA-N 432.461 4.694 30 10 IJEE COc1ccc(N/C(N)=N/Cc2ccccc2-c2ccc(Cn3cncn3)cc2)cc1Cl 303869580 DXKRBUTVFDLSDZ-UHFFFAOYSA-N 446.942 4.582 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 304112725 ZFMNGBUVJVJMKV-MSOLQXFVSA-N 446.316 4.678 30 10 IJEE CCCc1ccc(-c2ccc(NC(=O)C(=O)N(CCC#N)Cc3cccnc3)cc2)cc1 446450555 WPHQMJVWOANGBG-UHFFFAOYSA-N 426.520 4.582 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 468916065 ILJBHOKTLLNRLV-UHFFFAOYSA-N 425.391 4.889 30 10 IJEE N#Cc1cc(Br)ccc1N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 480105387 NAIMKBKEFMQPSX-HNNXBMFYSA-N 442.361 4.557 30 10 IJEE CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)o1 480998694 NERXBFNQYFSNGT-QINHECLXSA-N 429.542 4.533 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC 502646500 GVDSMZCMGTXTTB-UHFFFAOYSA-N 427.570 4.993 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(c2nccs2)CC1 508488532 JXGWLOPCHJDLSO-UHFFFAOYSA-N 448.365 4.873 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 508911676 JFIYUFFBIIMZSB-UHFFFAOYSA-N 447.583 4.729 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(COc4ccccc4)cc3)CC2)c1 510841939 LQKOAHZPFRKONS-UHFFFAOYSA-N 441.531 4.890 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2OC)cc1OC 526490380 VVFDIOPSTZOQKW-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE Cc1ccc(SC2=C(N3C[C@H](C)C[C@@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526685178 NZPLFBLTWCAQEY-QZTJIDSGSA-N 431.561 4.722 30 10 IJEE C=CCn1c([C@@H]2COCCO2)nnc1N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C 584022186 BWQDCBSMWMMIGE-DEOSSOPVSA-N 448.567 4.643 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(OCC4CCCC4)CC3)n2C[C@H]2CCCCO2)c1 619863056 SVNWXAGKWJZXIE-XMMPIXPASA-N 449.599 4.561 30 10 IJEE Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c(C)n1-c1ccc(C#N)cc1 728270325 HTRBPUUZMWEZNF-SFHVURJKSA-N 426.520 4.584 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1)c1ccccc1 757057349 GLMOILQKKTWUJZ-RPBOFIJWSA-N 425.532 4.508 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)NC(C)(C)CC)cc1 773940586 GPGSUHUJQTVAID-UHFFFAOYSA-O 426.606 4.686 30 10 IJEE C#C[C@@H](C(C)C)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 798359530 MORFFHBGGHYJLE-PMACEKPBSA-N 441.503 4.583 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 812185841 DEMIUBOUYNBORV-REWPJTCUSA-N 445.567 4.663 30 10 IJEE COC(=O)COc1c(C)cc(C(=O)OCc2ccccc2Oc2ccccc2C#N)cc1C 1128874312 ALAWWVJHDHWXMV-UHFFFAOYSA-N 445.471 4.876 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C)c1ccc(Br)cc1 1129730272 FBHZDJVBCQWUQB-QGZVFWFLSA-N 428.717 4.607 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1129731778 YUKKNSOEFOBFLQ-YVEFUNNKSA-N 426.232 4.726 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(CNC(N)=O)cc1)c1ccc(C)c(C)c1 1144711742 WMHPFCRSQVTBLZ-UHFFFAOYSA-N 443.547 4.884 30 10 IJEE CC[C@@]1(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCCN1C(=O)OC(C)(C)C 1152343830 CUDKQDMSTOMOLB-QFIPXVFZSA-N 443.935 4.516 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1 1171847057 HTIHMSPVRWVRAZ-INIZCTEOSA-N 438.424 4.780 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1OC 1178436665 OQVFUWXEJVJHKW-LAUBAEHRSA-N 445.401 4.633 30 10 IJEE C=CCc1cc(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2F)cc(OC)c1O 1179081984 ROEAHHPHVDNPHO-UHFFFAOYSA-N 430.520 4.583 30 10 IJEE C=CCCn1cc(CN2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)nn1 1180244512 FHUJEQAESAFRGR-UHFFFAOYSA-N 428.005 4.554 30 10 IJEE C#CCN(C)[C@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 1194058770 VVFDXVYFLXCHCQ-QFIPXVFZSA-N 432.545 4.837 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)CCOCC1 1216080328 GYBLLDUKUFXAPA-UHFFFAOYSA-N 436.899 4.770 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1216891645 OIUJVHLYFZREED-IRXDYDNUSA-N 441.494 4.972 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(F)cc1 1217278061 JGQLIQPQVPJWKB-CQSZACIVSA-N 431.183 4.983 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)CC1 1220096305 XOYSXTWKTPHYAA-UHFFFAOYSA-N 436.343 4.738 30 10 IJEE C#CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1220532948 BVHIIYPRNMOZET-UTKZUKDTSA-N 428.001 4.556 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)cc(OC)c1OC 1221553342 DBOWXQOGOWCLOM-VWLOTQADSA-N 426.532 4.878 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)CC1 1221800054 HWJQQELZYHYYCI-QFIPXVFZSA-N 439.522 4.732 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 1246366831 BVTQGQJURLFNJR-FQEVSTJZSA-N 428.374 4.816 30 10 IJEE COc1cccc(-n2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)nn2)c1 1264530257 DGPSCKLZVCRAIW-OAQYLSRUSA-N 443.894 4.837 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC2(CCCCC2)C1 1286336997 SVTLMZBOWRXQLR-UHFFFAOYSA-N 449.624 4.788 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(COC)CCC1 1286402493 ZRQIVRIUBATGLO-UHFFFAOYSA-N 438.984 4.703 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1286497077 MLQOCGMDLXEFEU-YLJYHZDGSA-N 448.633 4.501 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1286501090 MEGPEINTRKUXLE-QUCCMNQESA-N 442.629 4.732 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)C[C@H]1CC 1286501091 MEGPEINTRKUXLE-UYAOXDASSA-N 442.629 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)C)C1 1286558751 QQLLWOPXBJCPGI-VIZSFHNOSA-N 429.008 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286566757 IRSPOXSLHQDVJT-CNNODRBYSA-N 428.552 4.941 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(N2CCCCC2)CC1 1286703913 IVPGCAPLQCWDFA-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@@H]1C 1286706645 RXBWWMKOTZKPCU-AZUAARDMSA-N 430.618 4.569 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286709295 PEFXZQBIJOKMMX-UHFFFAOYSA-N 448.411 4.859 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(CCCC)nc1C 1286719167 WVJCYLLAZUZGHA-UHFFFAOYSA-N 443.393 4.683 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1cc(COC(C)(C)C)on1 1286743077 VKYVRPNPTMAGCN-UHFFFAOYSA-N 448.571 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCc1csc(CC)n1 1286747570 KSGLKHLCZMOSOJ-UHFFFAOYSA-N 436.610 4.856 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1sccc1C 1286761388 XUEZKYGIUVFPNC-HDICACEKSA-N 443.617 4.645 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOC(C)C)c1 1289461736 IEHBQGPPXIVJSE-VWLOTQADSA-N 439.604 4.844 30 10 IJEE CC[C@H]1CCCCN1CCn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1293371373 FNMKERCTEOSOLP-IGKIAQTJSA-N 448.659 4.848 30 10 IJEE COc1ccc([C@H](C)CCn2c(-c3cccc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1299979998 BGXBJPMOFPPWSL-NIYFSFCBSA-N 444.583 4.981 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC1CCC(OC)CC1 1300321861 OTKACKYPGWXKFZ-PGYGNJIDSA-N 430.980 4.564 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1c(C)noc1C 1300422695 WLBGTVVMKQSDFS-UHFFFAOYSA-N 435.572 4.809 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1(C)CC1 1300564571 YDACMFAEXYREFK-UHFFFAOYSA-N 425.374 4.669 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCCC[C@H]1CC 1300642188 HXLNENFQRJNUSW-HSZRJFAPSA-N 449.574 4.890 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCC)C1 1300742917 WAZMGZPAHDFLLC-NRFANRHFSA-N 426.630 4.614 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1300765730 JGUVAFQBFNJETR-WOJBJXKFSA-N 449.089 4.999 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300767992 ISOCASNRCYZIFY-QFIPXVFZSA-N 440.657 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCC1CC(OCC)C1 1300788306 WTZYLOKNHSTYBL-RFNIIBAYSA-N 440.563 4.755 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C)[C@H](OC)C1 1300974948 QOJQMMMPDOORLT-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1301136963 JAVXLSHWJYGGQC-SFHVURJKSA-N 437.579 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301159957 JCNCHALEYRTTSX-NRFANRHFSA-N 448.615 4.804 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1301198138 BTQBAHKRWQLJIS-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC(C)C)nc1 1301349788 SBMPYOPGLPTDDG-QHCPKHFHSA-N 447.583 4.595 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCc2c(F)ccc(F)c2C1)C(C)C 1301366525 DHATWRWCUMHKSB-QHCPKHFHSA-N 443.586 4.941 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1301531600 RHLXRHYTOANLQT-NJYVYQBISA-N 442.629 4.506 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2ccsc2)C1 1301543504 ZPAGUXWGCMYKEZ-SFHVURJKSA-N 444.988 4.693 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C2CC(C(C)(C)C)C2)C1 1301566646 RLPHLSOKAIHWJW-XTXLOEGASA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC(C)(C)C1 1301601133 BKVQJOFRGXRGPF-UHFFFAOYSA-N 439.050 4.858 30 10 IJEE CC(C)c1csc(Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@](F)(C#N)C2)n1 1302541202 HRDLPUKUSDZBBR-HXUWFJFHSA-N 430.940 4.669 30 10 IJEE N#CCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCSC(F)(F)F)CC1 1303009129 FSCYXWSIWFAAFW-UHFFFAOYSA-N 429.899 4.982 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1303065512 DZTUQPQJUJARAU-SQJMNOBHSA-N 437.636 4.617 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1cc(Cl)nc2cc(C)nn12 1306919403 AYRAOFJYKKPNQC-UHFFFAOYSA-N 447.351 4.852 30 10 IJEE Cc1cc(CN(CC(C)C)c2nc(C(F)(F)F)ccc2C#N)nc(N2CCCCC2)n1 1307071649 FDZAUWXTRUYGDQ-UHFFFAOYSA-N 432.494 4.723 30 10 IJEE Cc1cccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1OCc1ccccc1 1311240673 IEZPXFMAYAMNJH-OAQYLSRUSA-N 428.492 4.526 30 10 IJEE C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)NC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 1312478450 HCFCVUPYFVXKKC-UUOWRZLLSA-N 446.551 4.739 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 1312852703 CYRVZODOMYDCCL-NRFANRHFSA-N 433.577 4.556 30 10 IJEE CCS(=O)(=O)c1cccc(-c2nnc(COc3ccc(-c4ccc(C#N)cc4)cc3)o2)c1 1322135945 BIYGELPHGDDITE-UHFFFAOYSA-N 445.500 4.648 30 10 IJEE CC(=O)[C@H]1CC(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)=NN1c1ccccc1 1349542359 GOWSRYJBOAFHCS-HRAATJIYSA-N 448.592 4.933 30 10 IJEE C=CC(C)(C)CC(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(C)cc1 1349975790 QGOISKZJCXKXAV-CVDCTZTESA-N 429.582 4.891 30 10 IJEE C=CC[C@@]1(C(=O)NCc2nc3cc(Cl)ccc3s2)CCCN1C(=O)OC(C)(C)C 1356407877 MKMCJBNVIVHSSJ-NRFANRHFSA-N 435.977 4.912 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 1357743928 LGYKYNOHRWKZML-DNQXCXABSA-N 431.605 4.616 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN1CCCC1 1358872583 WGRIMIQEHSRIKL-OALUTQOASA-N 444.023 4.651 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(Br)cc1 1359059770 ZLXZYVIRBKUBOV-UHFFFAOYSA-N 447.446 4.776 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CCOCC)CCC2)CC1 1359160906 JBAZZGXDZRIPHV-UHFFFAOYSA-N 448.409 4.789 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2C[C@H](c3ccccc3F)C2)CC1 1359173135 WNTVQVLQOZTILH-KESTWPANSA-N 439.579 4.857 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC2(N(C)C)CCCCC2)CC1 1359180273 YNCXSJZXTYGXCI-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCSC2)CC1 1359182157 UTUFYURTLRPZBO-FQEVSTJZSA-N 442.629 4.801 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359206731 NSZNNHKELZFSPL-QRVBRYPASA-N 429.609 4.941 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OCC)C1 1359210634 BFWLNFCLASXWFG-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC[C@H](C)C1 1359232719 CCRIGOKABHBUIX-FQEVSTJZSA-N 432.616 4.707 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)c1cccs1)C1CC1 1359246594 GKQSYHUFXYWRKK-QMHKHESXSA-N 442.560 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CSCCS1 1359276489 DYXYJABBWUDXNF-SFHVURJKSA-N 430.599 4.523 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@H](SC)C(C)(C)C 1359276981 YNBAQNQTSHXUSW-HXUWFJFHSA-N 425.602 4.946 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C)c2ccc(OC)cc2)C1 1359320023 KRBXAQDCYHLPLX-PTUXOGIPSA-N 440.588 4.503 30 10 IJEE CC(C)C(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C#N)c1 1359645934 DRLJUOKAAGKEKD-UHFFFAOYSA-N 441.583 4.707 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2ccc3c(c2)OCO3)CC1 1360643851 CYYCNNARIMBRFW-UHFFFAOYSA-N 432.289 4.563 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)C[C@H](Cc3ccccc3)c3ccccc3)C2=O)cc1 1435867751 HEQUJUHXSSOIOC-AHWVRZQESA-N 437.543 4.586 30 10 IJEE C=CC[C@]1(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)CCCN1C(=O)OC(C)(C)C 1439000725 RHARYXRVHNJXSM-HSZRJFAPSA-N 447.482 4.582 30 10 IJEE C=CCCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1ccccc1 1455294303 UYFWIZCRPNZABJ-UBFBPUDLSA-N 437.584 4.987 30 10 IJEE C#CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCOC3)cc1 1458832292 BHVIPQLUMIBBLW-UHFFFAOYSA-N 431.513 4.625 30 10 IJEE C=CCC1(CNS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CCCC1 1463689794 GEKUQYLLARBGPS-UHFFFAOYSA-N 426.298 4.883 30 10 IJEE C#CCN1CCC(NC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)CC1 1466048700 HCOZYRZBSFCAII-UHFFFAOYSA-N 434.927 4.900 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1ccc(C#N)c(F)c1 1466772770 GBHGAFJECBGGEQ-LEWJYISDSA-N 438.503 4.741 30 10 IJEE C=CCC1(CNC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)CCCC1 1470150574 YZXITUFIGZRQIN-UHFFFAOYSA-N 445.051 4.773 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1)c1ccccc1 1479191310 VGSQEIVJXLBXDL-VWLOTQADSA-N 449.595 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCC1 1507518370 UXWBXGOWQAWPSX-PMACEKPBSA-N 444.023 4.632 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCC(C)CC1 1507601685 ILAFIWIJTPTCEY-HXUWFJFHSA-N 444.023 4.653 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1c(C)sc(C)c1Br 1507670877 DJQUETWRZFOPPO-UHFFFAOYSA-N 447.446 4.819 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@H](C)C1 1507714043 HHLHVKCOYDBSMQ-LEWJYISDSA-N 438.616 4.677 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1507768863 YSSCGVRWBVQMGJ-NIYFSFCBSA-N 436.600 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCC1 1507803960 HZWUBJHAXJYIBP-KPLVRAHFSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCN(CCC)CC1 1507815500 IBSWSYXRLLDZDQ-UHFFFAOYSA-N 447.631 4.655 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCC[C@@H]2C)CC1 1507909807 TVLHBGHYYMJIFG-FQEVSTJZSA-N 425.646 4.766 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(F)(F)F)CC1 1507921954 ZYAQCCNTVVJPMX-ROUUACIJSA-N 444.542 4.773 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1)c1ccccc1 1507924829 UOOICHXUUPNHFZ-HXAGEGRHSA-N 438.616 4.926 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1508006365 CMWYXMRKJYREEH-SJBKTWHCSA-N 443.661 4.894 30 10 IJEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)cs1 1513736246 GIXQVHVSJOMPRU-UHFFFAOYSA-N 448.621 4.819 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)/C=C/c2ccc(C(=O)OC(C)(C)C)o2)cc1 1517879992 SEHKBFCAQPTPSX-FYWRMAATSA-N 425.481 4.896 30 10 IJEE C#CCN(C(=O)c1cnc2c(F)cccc2c1)[C@H]1CCOc2ccc(Br)cc21 1521818806 JZCQGVKDKTYQIK-IBGZPJMESA-N 439.284 4.736 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(C)c(C)c1 1523053284 FWPFPCXMERLHOC-UHFFFAOYSA-N 434.496 4.840 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCC1 1526814244 HJCGERZMCHVMDA-UHFFFAOYSA-N 435.524 4.913 30 10 IJEE N#CCc1ccc(COC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)cc1 1527007518 FWLQGWHPBYKXGE-UHFFFAOYSA-N 436.309 4.547 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2CCC)cc(OC)c1OC 1527042632 LMHMUDWIKFDVGM-UHFFFAOYSA-N 437.515 4.640 30 10 IJEE C#C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(C)(C)C 1528108350 JYEQNXZOSTTZNB-HXUWFJFHSA-N 425.985 4.994 30 10 IJEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnnn3C3CCCC3)c2C#N)C1 1529882444 GEDDLXREKGVGHS-CYBMUJFWSA-N 444.630 4.603 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)c1 1530877913 YAHLPKKBZMKZOH-IMFGXOCKSA-N 444.984 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 1531651941 XGHIPHNBAARSPC-PMACEKPBSA-N 432.442 4.555 30 10 IJEE O=C(Cc1ccn(-c2ccc(F)cc2)n1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 1536961926 CVBNZBKEEXUDSW-SFHVURJKSA-N 445.338 4.993 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cccc(Cl)c3C)CC2)cc1OC 1537542633 SQAGLKCSZXUICB-LUAWRHEFSA-N 426.944 4.584 30 10 IJEE CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ncc(Br)s1 1537861956 CODUZSJBCJJYFT-UHFFFAOYSA-N 432.274 4.985 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CCCC1 1538896074 PHQGPFUWTIPYHC-PMACEKPBSA-N 432.630 4.610 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(CCC#N)CCOC 1539096386 ZXMRXVXSHARXPG-UHFFFAOYSA-N 427.961 4.593 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1539124361 NXDWQUYRYYVYSP-KRWDZBQOSA-N 441.551 4.709 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H](OC)C(CC)CC 1539159315 ULQVDLWJGUSMNT-OAHLLOKOSA-N 439.423 4.680 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1539499546 MJCVYOODFDNKQV-MJGOQNOKSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1cc(C)ccc1OC(F)F 1539546205 AWRYYLGQXPFCIO-HSZRJFAPSA-N 426.467 4.797 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOCC(F)F 1539547133 RYMHJMMTFWDLCO-HXUWFJFHSA-N 443.325 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)C(C)C 1539567478 XNFUWTPVXPMLAE-FTJBHMTQSA-N 438.616 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1539615720 KUXOLOKUOPJXQN-LZJOCLMNSA-N 445.995 4.501 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1Cc1ccccc1 1539736279 VRWJNKLAHBPOJO-NRFANRHFSA-N 437.975 4.798 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1539909533 MVYMROBVQLYQKS-UXHICEINSA-N 440.588 4.570 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 1539931348 KHUYSBULXRVTEC-ZRBLBEILSA-N 435.616 4.793 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)CN1CCCC1)C1CC1 1540101824 NCKANWUGAFOZQF-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1540879445 DLEUGTRIQPHECF-NRFANRHFSA-N 449.599 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCCS2)C1 1540884796 UZNGFONSOWDPKM-GUDVDZBRSA-N 446.592 4.624 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C[C@H]1CC 1540907833 KDIPBKGHUDZYPC-OXQOHEQNSA-N 427.618 4.691 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[C@H]21 1540911515 ULRKGRCULZQMIN-NVXWUHKLSA-N 449.418 4.624 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1 1544630342 HREFKYYPCHFPAN-LJQANCHMSA-N 446.931 4.618 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1554357843 HYNZXJDPMLEPDC-GBXCKJPGSA-N 441.023 4.849 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(Br)cc1 1556397779 AFMHJRSXEVFISD-OAHLLOKOSA-N 426.314 4.691 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CC[C@@H](C3)C2)ccc1Cl 1557672111 PLZCFNRSBWRAKL-ROUUACIJSA-N 444.984 4.593 30 10 IJEE C#CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1558369788 BIOBOCGKMADIHV-IBGZPJMESA-N 438.490 4.584 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 1559180950 BTERQQKUICMEHX-GOSISDBHSA-N 434.927 4.903 30 10 IJEE C=CCn1c(SCc2nnc(-c3ccccc3O)o2)nnc1-c1ccc(Cl)cc1 1559321125 FAQGXMYJKMHETM-UHFFFAOYSA-N 425.901 4.832 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(I)c1C 1562605243 XXPQFMGDPUMKNV-UHFFFAOYSA-N 436.293 4.828 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)C 1563518430 STVCQZYBRLWTJR-NRFANRHFSA-N 427.639 4.623 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)N(CC)CC 1587575615 ZCBSDZBSYJRCQX-FXAWDEMLSA-N 425.964 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1587575652 ZJOGXHJZXBDFMS-VQIMIIECSA-N 445.995 4.606 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(CC)(CC)C1 1589559648 TZEPDKPWCAJCAA-ZJSXRUAMSA-N 438.616 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1Cc2ccccc2C1 1589599278 FDALGPUMVRKDLZ-AREMUKBSSA-N 438.616 4.526 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC(c2nc3ccccc3s2)CC1 1593695274 CRDUPGJTZJVOHD-UHFFFAOYSA-N 425.602 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1594036722 WNGYPQFYFCGPRP-YADARESESA-N 438.576 4.520 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1594115812 VAGWXBNGEPCZAC-NRFANRHFSA-N 430.600 4.550 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1594545204 RMSGUOKPMYRVRO-QHCPKHFHSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1594600095 IDBRXMLCPBPXGD-OAQYLSRUSA-N 425.964 4.871 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@@H](C)C1 1594788914 VMNRQGMFTGACJL-NRFANRHFSA-N 449.599 4.561 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](SC)C(C)(C)C)C1CC1 1595038347 UXPXWEGJKVZFLX-FQEVSTJZSA-N 430.618 4.895 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1nccs1 1596153116 SQDQVRXTNOMFEW-JOCHJYFZSA-N 447.560 4.633 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)c1ccc(C(F)(F)F)cc1 1597058280 PMZLLUUPOCNNKS-SFHVURJKSA-N 431.458 4.921 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC1CCC(C(F)(F)F)CC1 1606966206 FPUITBFJABUHTB-JLAWEPINSA-N 441.542 4.917 30 10 IJEE CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1611614894 HSAAVWMGXSKPAH-NRFANRHFSA-N 434.632 4.811 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccc(N2CCCCC2)nc1 1613164956 FOIJIJSDKLTDSU-HXUWFJFHSA-N 443.599 4.733 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1Cl 1622076863 IEKYEARHWSBDOZ-QGZVFWFLSA-N 443.725 4.639 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1)c1ccccc1 1629173356 KZZDIWGFRLAMQL-AZUAARDMSA-N 436.581 4.753 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3OCC)n[nH]2)c1C 1629548171 ULEUHDFFHLDURL-HXUWFJFHSA-N 435.572 4.992 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 1629746954 YJASEPBTYNBRJC-HHHXNRCGSA-N 425.576 4.913 30 10 IJEE C=CCCSCCNC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 1636744509 YTQVNHKYRWNKAD-UHFFFAOYSA-N 433.618 4.691 30 10 IJEE C=CC1(CC(=O)NCc2cccc(-c3csc(C)n3)c2)CN(C(=O)OC(C)(C)C)C1 1642519988 FECOGFQRIGEMGL-UHFFFAOYSA-N 427.570 4.548 30 10 IJEE C[C@H](c1ccccc1)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 1643208733 AZLDNTATTVFLFA-OAQYLSRUSA-N 435.531 4.946 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c1 1644779057 TZSYJGUXYRGFHN-UHFFFAOYSA-N 442.346 4.802 30 10 IJEE C=CCn1c(S[C@H](C)c2nc(C)cc(O)n2)nc2scc(-c3ccccc3)c2c1=O 1652458614 LMENIHPAHNFNDK-CQSZACIVSA-N 436.562 4.968 30 10 IJEE C#CCN(Cc1ccnc(Br)c1)[C@@H]1CCOc2ccc(Br)cc21 1653388500 KMQPKAWUOXWMSZ-MRXNPFEDSA-N 436.147 4.566 30 10 IJEE C=C(C)CN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1cnn(C(C)C)c1 1653581676 QSNINXZGSUEGDP-SFHVURJKSA-N 439.629 4.929 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1658599404 MUGOYDWXMUJETH-MSOLQXFVSA-N 434.418 4.814 30 10 IJEE C#Cc1ccc(NC(=O)CCN2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cc1 1658850313 KTVSFTZFJZNEJB-ROUUACIJSA-N 429.486 4.615 30 10 IJEE C=CCOc1ccc(CNc2cnc(N3CCOCC3)c(Br)c2)cc1Cl 1662304083 KBNKYTQZXKEOAX-UHFFFAOYSA-N 438.753 4.511 30 10 IJEE Cc1cc(NC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c(C#N)cc1N(C)C 1662434305 ABQNNTDTJQZZRE-SFHVURJKSA-N 429.524 4.789 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccccc2C#N)c2ccc(C(F)(F)F)cc2)cc1 1662444127 FSXYUGHNRRXWJZ-NRFANRHFSA-N 446.450 4.654 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCc2cc(C)c(Br)cc2C1)C(C)C 1665701079 JEAKFWGLMHUTPA-NRFANRHFSA-N 434.422 4.524 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)CC1 1666791935 GBOQEMHRCIMNDT-UHFFFAOYSA-N 429.929 4.802 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@H]2C[C@@H](OCC)C23CCCCC3)cc1 1667589565 KZFKPWSWMNMWLU-FCHUYYIVSA-N 427.589 4.974 30 10 IJEE C#CCN(C(=O)NC[C@H](C)Oc1cccc(Br)c1)[C@@H]1CCCc2ccccc21 1669778813 GKOGWHMXDVHDDS-HTAPYJJXSA-N 441.369 4.939 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 1671869767 AGGVNNOZCWQERF-UHFFFAOYSA-N 438.837 4.854 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 1672350380 SBXGSBNFLSASRH-KRWDZBQOSA-N 445.482 4.552 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(OCCC)c(OC)c1)c1ccc(Br)cc1 1676177656 QBWBWOYZECWREJ-BEFAXECRSA-N 445.357 4.981 30 10 IJEE C=CCC[C@H](NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 1676840193 GQBSUWHMYDWPFR-ZWOKBUDYSA-N 427.511 4.511 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)cc1I 1677276144 GLWZRDNIPGQYCM-OAHLLOKOSA-N 436.293 4.609 30 10 IJEE C#C[C@@H](NC(=O)NCc1cn(C(F)F)c2ccccc12)c1ccc(Br)cc1 1686920505 ZMDYTVQWMSKEII-QGZVFWFLSA-N 432.268 4.973 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1689897989 OAIOFIPFLKNXID-HXUWFJFHSA-N 437.588 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1690428576 UYIXTWUXSRIEHF-FQEVSTJZSA-N 438.963 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690439940 UEODTEAUFSJFKY-RBUKOAKNSA-N 442.585 4.595 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)C1 1690700606 VHQKNEZQFQQSST-GHTZIAJQSA-N 446.039 4.604 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2C)CCS1 1694500066 BWDWDCDIVJBZIN-WIYYLYMNSA-N 439.629 4.601 30 10 IJEE CCSc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1696534153 AXVYJAXJFCHPEI-REWPJTCUSA-N 425.602 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(C)CCCO1 1705477900 UANVVWQQHYIXMC-IUKKYPGJSA-N 430.980 4.715 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1705524434 LTNGKJYXGQUPGP-GCJKJVERSA-N 442.991 4.880 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705527081 QRLLHLQCTGSHHI-QFIPXVFZSA-N 444.627 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCC(C)CC1 1705592837 VSSWIUCCVRCIBZ-UHFFFAOYSA-N 445.655 4.828 30 10 IJEE C#CCSCCn1c(N2CCC[C@H]2c2nc3ccccc3s2)nnc1C(C)(C)C 1705665498 VSTJOFSHLRWARN-KRWDZBQOSA-N 425.627 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1705674095 ZBLMZKQXOGTYIM-YZIHRLCOSA-N 437.607 4.834 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1C[C@H]1C 1705676526 DYBPVZMDJNMXFG-YIGJPRQDSA-N 426.992 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCSC1 1705698049 ZBUDJHJJYBFASC-QOKNQOGYSA-N 436.984 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)C(F)(F)F 1705713096 SIOLRQGSFXOYSC-UHFFFAOYSA-N 426.483 4.953 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705732501 BHDCIICSEHNVKW-LJQANCHMSA-N 440.979 4.538 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1705815131 LWZFINFAGMNTIF-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CC(F)(F)CO1 1705837926 USZKWVYQFDRATM-MRXNPFEDSA-N 434.487 4.859 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1705845588 YEMCIOJRENEIRY-UHFFFAOYSA-N 434.613 4.969 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC=C(C(C)(C)C)CC1 1705890487 SGQAZQSZBJUENA-UHFFFAOYSA-N 429.609 4.761 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H](C)CC#N)o1 1709539333 GQJRUZPYLWVULN-CQSZACIVSA-N 444.486 4.582 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccco1 1722461265 QBZBOWBIZUXSDL-IBGZPJMESA-N 426.973 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN(CC)C1CC1 1722475794 WCBGIXSXKCHSBN-HSZRJFAPSA-N 444.048 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCNC(=O)c1occc1C 1722499944 ARTMIVYNUQQXNY-UHFFFAOYSA-N 447.539 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](CC(C)C)C1 1722502763 UHPDUZAKDFYRIZ-ROKPMTFOSA-N 442.579 4.850 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](C(C)C)C1 1722523601 ANGKLZSEZZKPEY-OAQYLSRUSA-N 432.996 4.689 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C2CC2)C1 1722529261 YIGZUYVGOCMHAD-IBGZPJMESA-N 445.405 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722562291 STZUIYYRTXTFLO-BGYRXZFFSA-N 425.596 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1722591863 NYEPADAYXQFQHA-OAQYLSRUSA-N 425.596 4.675 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722610822 DMKCWBVCIHBJNY-QAPCUYQASA-N 431.462 4.616 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)cn1 1722660591 ZGPIVGSNMOGUHR-UHFFFAOYSA-N 432.478 4.563 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC[C@H]1CCO[C@@H](C)C1 1722660804 HDLBPVJDKVWVKC-SFTDATJTSA-N 449.574 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CCN1CCCCC1 1722662350 WHHJWRYJORNNEA-UHFFFAOYSA-N 437.613 4.694 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cc(C)ccc1F 1722685677 ITZYBIUBVZQWFK-GOSISDBHSA-N 443.567 4.663 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H]2C)CCCCC1 1730648577 GOZLNCYSDMOFIU-HXUWFJFHSA-N 437.588 4.704 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)Cc1cnn(C)c1 1740565960 MFJBOYMFLJXZAD-SFHVURJKSA-N 436.629 4.695 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740590471 FEHOSQLOBXSGRO-YLJYHZDGSA-N 439.337 4.581 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC2(CCCCC2)O1 1740599458 AYGNDFTYVKDLIX-YADHBBJMSA-N 436.600 4.986 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)N1CCC[C@@H](C)C1 1740604302 BLQOYXBAEDHEIV-MRXNPFEDSA-N 434.415 4.832 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCCS1 1740644107 TUQSCTASDJGFSD-RUZDIDTESA-N 436.625 4.513 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](c2ccco2)C1 1740778840 UOJCNNUXCXIDAN-HNNXBMFYSA-N 443.345 4.879 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1740826064 ARKACDDVQWTGGF-UHFFFAOYSA-N 448.590 4.885 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740863908 BJRPTDKBTNVJFF-JOCHJYFZSA-N 434.588 4.580 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1740874777 YLDGOTKHMHZJIJ-UHFFFAOYSA-N 425.533 4.858 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC)CC1 1740932120 HLPKTQVOZPIAFD-UHFFFAOYSA-N 429.609 4.761 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1740938682 KNWMLJSLZMSILV-SANMLTNESA-N 440.632 4.823 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@H](C)C1 1740939848 JQKUSXDODDVHLH-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1740947544 JZJADNVDKMGIOS-CTNGQTDRSA-N 428.024 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CCCS1 1748650834 FYWVMTDZSQJOSH-PXAZEXFGSA-N 425.421 4.513 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1cccs1 1748735148 PLPGXXYIEAATFN-CQSZACIVSA-N 432.391 4.718 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](CC(C)C)N(C)C 1748915401 YAWOXVHNUSZGCL-HXUWFJFHSA-N 427.662 4.711 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1749047520 YCWNXNOIZBYRKK-DEOSSOPVSA-N 440.588 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccccc1Cl 1749144046 RTHZADYWWCNLEA-QHCPKHFHSA-N 432.996 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1749161590 BCGUYZPDOFBACT-ISKFKSNPSA-N 430.543 4.755 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1749288473 YIFGKXLUYMBOCC-UWJYYQICSA-N 448.409 4.550 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC[C@H]2CCCO2)CC1 1749293337 JMGYFFOIZKWDJD-HSZRJFAPSA-N 438.616 4.985 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCc2nccs2)CC1 1749348360 PKVBBZNUAVLUSK-UHFFFAOYSA-N 437.613 4.966 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1749403716 ITJFWYCBJHAELG-GOSISDBHSA-N 431.625 4.717 30 10 IJEE C=CCCCCn1c(N2CCC(c3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1749409705 YMSLIQBFPHGURG-HSZRJFAPSA-N 430.618 4.732 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749415847 VKHASQQAEHDCBN-OSPHWJPCSA-N 426.561 4.706 30 10 IJEE C=CCCCn1c(N(C)Cc2c(F)cccc2Cl)nnc1[C@]1(OC(C)C)CCOC1 1749440203 UTJULHOBPSGBTI-QFIPXVFZSA-N 436.959 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N(C)C 1749548790 JRQSRKZKFAGXIC-HNNXBMFYSA-N 433.984 4.942 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C 1749558006 QGFGJYVTJHWARJ-NHCUHLMSSA-N 431.669 4.526 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)Cc1cccs1 1760231793 GXZIXXIXFAECJB-LJQANCHMSA-N 430.581 4.531 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1CCN(C2CC2)CC1 1760242100 SQTKVGPEBSPPER-UHFFFAOYSA-N 437.607 4.520 30 10 IJEE C#CCSCCn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1760286472 MBCDREJXTYTVPW-IBGZPJMESA-N 448.558 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCCN1CCC 1760298113 WCSZSFJWHNHWNY-WNCULLNHSA-N 449.643 4.676 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1760308460 GAHKTXYTPVHHGD-HZPDHXFCSA-N 425.415 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(CC)C(C)C 1760320117 SEPKJGJAFDFHMX-UGKGYDQZSA-N 428.577 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](CC)N1CCCC1 1760330780 MGOCBOJYKZPUMY-FQEVSTJZSA-N 446.437 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@H]1CC 1760336965 BOQZDPVVKORUEV-IRLDBZIGSA-N 437.636 4.681 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760344137 ZOBQPXDWAOITJD-IBGZPJMESA-N 425.577 4.665 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)CC)CC1 1760407709 LUMPWKKTBVAWCJ-KDURUIRLSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](CN2CCCCC2)C1 1760413251 BZLJXEWQGGQMOB-OAQYLSRUSA-N 439.623 4.923 30 10 IJEE C=CCCOCCn1c(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nnc1C(C)(C)C 1760453127 OSUPXYWWPIKEOM-GOSISDBHSA-N 443.661 4.888 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CC[C@](C)(CC)O1 1760478066 TURMKFDKRHLUAJ-GJZUVCINSA-N 447.583 4.889 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCC1CCCC1 1760479121 DXTXUMNRGVKJNJ-UHFFFAOYSA-N 429.572 4.713 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760506763 LWDLEBBSIFJIRL-FHWLQOOXSA-N 432.012 4.793 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@H](C)C1 1760562147 YGADAJRILZUAEW-QGZVFWFLSA-N 448.658 4.602 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2CCC[C@@H]21 1760568191 BIQCVJPVQFTCLU-ROUUACIJSA-N 430.643 4.877 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)cn1 1762778205 DFBRWYBZHYOWON-RBUKOAKNSA-N 430.556 4.672 30 10 IJEE CCOc1ccc(CCn2c(C3CCCC3)nnc2N2CCC(C#N)CC2)cc1OCC 1765998772 AAGGJSMHMXUQHU-UHFFFAOYSA-N 437.588 4.716 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)c1 1860684307 DNNOZKKCMLRPAD-UHFFFAOYSA-N 433.467 4.579 30 10 IJEE CCN(CC)c1ccc(NC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)c(C)c1 1860726429 QOFWHUZFMWQDGD-YRNVUSSQSA-N 433.321 4.964 30 10 IJEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1c(Cl)ccc(Cl)c1Cl 1861150752 UZINROBSEBNAPH-XJKSGUPXSA-N 449.806 4.699 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Cl 1862417583 VASYJEHVOLREHU-LJQANCHMSA-N 435.854 4.622 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1862443735 PPUPEFPMEYMFKL-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Br)ccc1F 1862483439 ADRIDROYPAXPHX-SFHVURJKSA-N 430.273 4.661 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2c(F)cccc2Cl)ccc1F 1862504924 GTSPADFHAJPIIV-FQEVSTJZSA-N 449.881 4.668 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862561803 UKTJAFOICBJNRT-QHCPKHFHSA-N 441.531 4.740 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(F)cc1F 1862561878 YYOOHAIUNMBCOV-PEBXRYMYSA-N 434.442 4.887 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 1862604568 FJGURRZDRMFMFD-MZNJEOGPSA-N 441.483 4.797 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2C)c1 1862698494 IJOXOGWRBXUEJF-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CN(C)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccccc1 1870232662 DQSJBVCQTMXFIB-UHFFFAOYSA-N 433.577 4.543 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870246103 REQQVENFGSESBM-UHFFFAOYSA-N 441.597 4.580 30 10 IJEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CSc1nnnn1C 1870276274 RHEFCLNZFPGZDD-UHFFFAOYSA-N 447.649 4.984 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)cc1 1871348210 YEXXBJWVOROFPE-CFRMEGHHSA-N 441.483 4.750 30 10 IJEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871366260 AQDHDQUFCLZBMV-CFRMEGHHSA-N 428.440 4.878 30 10 IJEE CCCCCCCCN=c1[nH]c(=NCc2cccc(C)c2)[nH]c(=NCc2cccc(C)c2)[nH]1 1871461733 ALDSWRLZTOCITA-UHFFFAOYSA-N 446.643 4.751 30 10 IJEE CC(C)C[C@H](C(=O)[C@@H](C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872770953 ISIQNIYUTUPQIF-SJLPKXTDSA-N 449.557 4.759 30 10 IJEE N#C[C@@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)cs1 1872776583 SKITVNFVVIGHNP-KRWDZBQOSA-N 436.468 4.948 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1ccc(N(C)C)cc1 1874228330 DNOBVRGJYZJTIX-KOEQRZSOSA-N 449.580 4.648 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(F)cc1 1874237540 NPSOOGQCGLOWHD-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCCO)n2/N=C/c2ccc(Cl)cc2)cc1 1874253816 MKIDYZSWDPGPBU-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2/N=C/c2ccncc2)CC1 1874285075 NUQPTOXICBGGTQ-WGOQTCKBSA-N 442.633 4.638 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCCO)cc1 1874318520 WGIFGYXDZCIVAU-XIEYBQDHSA-N 438.597 4.554 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(F)(F)F 1874460443 VKTJLHUSHDJHFS-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccco2)cc1 1874464746 ZNCGKNMZBORJRH-AFUMVMLFSA-N 449.511 4.853 30 10 IJEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2nc(O)c3ccccc3n2)c1 1874490903 QCLVKMSJUKLTJE-ZMOGYAJESA-N 432.553 4.608 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 1874749634 BQLYLMAHOUWENP-UHFFFAOYSA-N 427.342 4.948 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc4c(c3)[C@@H](C)CCN4C)cc21 1890571561 QOWSMGCCMNVAFA-KRWDZBQOSA-N 433.552 4.820 30 10 IJEE COc1ccccc1OCC#CCNC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 1890918604 PKLOAGZENWTHCD-UHFFFAOYSA-N 431.332 4.545 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cnc3ccccc3c2)CC1 1891001271 KVLKKZIMJHMLGL-UHFFFAOYSA-N 429.505 4.678 30 10 IJEE CC1(C)Cc2cccc(OCc3ccc(C(=O)NCC#CCN4CCCCCC4)cc3)c2O1 1891082995 NAPOIDLLYAEDHV-UHFFFAOYSA-N 446.591 4.588 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)CC1 1891191824 UDDNFXRIVLTNQQ-PMACEKPBSA-N 448.592 4.981 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2sc(-c3cccs3)nc2C)c1 1891554052 ONCFNSMUHIIGGT-UHFFFAOYSA-N 439.606 4.838 30 10 IJEE N#C[C@@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C1CCCCC1 1902270377 LMYKYCPOOPRHIU-XMMPIXPASA-N 443.547 4.646 30 10 IJEE C#CC[C@H](CN(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C1CC1 1902352888 GKIPJYJSLUWUHP-HXUWFJFHSA-N 442.559 4.566 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1922058957 CDYYWZXGITYJGF-RXVVDRJESA-N 428.495 4.537 30 10 IJEE C=C([C@@H](NCC)[C@H](O)c1scc(Br)c1Br)[Si](C)(C)C 1922918858 RIXVEFJRTMKAJV-NEPJUHHUSA-N 427.278 4.718 30 10 IJEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(c2cc(Br)c(C#N)cc2F)C1 1965620085 ABNOUHFCXYSWCD-OCCSQVGLSA-N 426.330 4.589 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1(C#N)CCCC1 1984692686 RZJHPFJWLQGTAL-DEOSSOPVSA-N 445.563 4.844 30 10 IJEE Fc1cc(C(F)(F)F)ccc1Cn1nc(I)cc1C(F)(F)F 2079173387 QZBOWRRDPQBIMS-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1F 2080119661 OEOFZGKBWQRSCJ-CYBMUJFWSA-N 438.219 4.866 30 10 IJEE CC1(C)OB(c2cnc(Oc3ccc(F)c(Cl)c3)c(Br)c2)OC1(C)C 2115995094 DAZCITKMEBRHJX-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c2nsnc12 2137370918 CRIDPRFSNCQNPH-ZIAGYGMSSA-N 441.395 4.574 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)cc1)c1ccc(Br)cc1F 2146604416 HADVHZPUMPHZML-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CN(c3ccc(C#N)c(Br)c3F)C(C)(C)[C@H]2C1 2174808787 RUYBQQUYRNKSDA-KBPBESRZSA-N 438.341 4.542 30 10 IJEE C[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cccc(Br)c1 2180912889 SYRLXPADEVXUGK-YOEHRIQHSA-N 438.366 4.604 30 10 IJEE C[C@@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180963360 OFSJMNFBLVVDDV-ZUOKHONESA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2cc(Br)ccc2C#N)C1(C)C 2181105487 LMVWJGBNESRIQG-CQSZACIVSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)Nc2ccc(C#N)cc2Br)CC1 2181106868 APWGAJUMEMPMOJ-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1ccc(N)c2cc(Br)cnc12 2202054740 GYKDAHCHSMMGKG-ZDUSSCGKSA-N 436.350 4.675 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2221622413 BIXRXIHADBBGJC-UHFFFAOYSA-N 430.354 4.697 30 10 IJEE C=C(C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221690684 IGAKENIGBMEALQ-INIZCTEOSA-N 426.427 4.888 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2227464796 VQHBUSRQOAGYDY-AEFFLSMTSA-N 435.387 4.716 30 10 IJEE Cc1sc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c(Br)c1C 2229368127 FUCTWGJJZQCWLI-CYBMUJFWSA-N 428.201 4.826 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](O)C#Cc1ccccc1Br 2232064539 ZKTMISIANOPZEI-IAGOWNOFSA-N 442.419 4.587 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2ccccc2Br)CCC2(CC2)CC1 2235726304 IKNZNVQSGXCLAV-GOSISDBHSA-N 433.390 4.746 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](O)C#Cc1ccc(Br)cc1 2242589337 PEHRVHKVHQGQSX-FQEVSTJZSA-N 430.342 4.599 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C 2261821363 TXGATZQBGYSMIR-KNOQFWTLSA-N 447.572 4.655 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCCCC[C@@H]1NC(=O)OC(C)(C)C 2261830583 YEHBZIBEWCQLEJ-OFVILXPXSA-N 447.572 4.847 30 10 IJEE CC1(C)OB(c2cnc(NCc3ccc(OCc4ccccc4)cc3)c(F)c2)OC1(C)C 2269005630 GUFZRPVIRWDKTD-UHFFFAOYSA-N 434.320 4.711 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@@H](N)C#Cc1cccc(Br)c1 2278738023 QXTCQONVJZYCTM-IRXDYDNUSA-N 441.435 4.553 30 10 IJEE C=CCCC1([C@H](O)Cc2cc(OC)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2280945782 VBBOCQSLFBSODM-GOSISDBHSA-N 440.378 4.564 30 10 IJEE COc1cc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 2296116057 SFVKVNQDHBYUPI-JOCHJYFZSA-N 449.890 4.989 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(O)C#Cc2cccc(Br)c2)cc1 2296228688 BHXCJZIADDEXBL-JOCHJYFZSA-N 430.342 4.733 30 10 IJEE CC1(C)CC[C@](N)(C#Cc2cccc(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2296231602 GBONPJYIRRBVII-HTAPYJJXSA-N 435.406 4.849 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1cccc(F)c1I 2296300731 LVJWLBIUDLHHFG-OAHLLOKOSA-N 444.085 4.505 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)c4cccs4)ccc3C2=O)cc(OC)c1OC 2296865664 AEQRXXZBBJIJDG-UHFFFAOYSA-N 438.457 4.609 30 10 IJEE N#Cc1nc(C=Cc2ccccc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 2297576223 LVIMVHQCQPWQPU-QFIPXVFZSA-N 434.927 4.855 30 10 IJEE NS(=O)(=O)c1ccc(-c2ccc(C=CC(=O)c3ccc(-c4ccc(F)cc4)o3)o2)cc1 2314482849 XQDHMAMMFKEEAU-UHFFFAOYSA-N 437.448 4.889 30 10 IJEE COC(=O)c1ccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 2321168527 WJIUSHXCLCIIFA-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccc2ccccc12 2321193361 JMVTWWQARWVKDE-KRWDZBQOSA-N 429.549 4.591 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c1 2322867204 NGECGWABNZDBAJ-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE C=CCOc1ccc(Br)cc1C=CC(=O)c1ccc(OC)c(OC)c1OC 2323032476 XXQFIAZCBZSQME-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2C)C1=O 2323395839 PKKQYCRBEIXFQP-UHFFFAOYSA-N 429.428 4.976 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 2323562009 UGVPSPVUIWGFJV-UHFFFAOYSA-N 428.371 4.768 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccnc2)C3=O)cc1 2323936785 UNTWPFCWMGEAQW-UHFFFAOYSA-N 429.428 4.623 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3ccc(C)o3)C4=O)CC2)c1 2324186114 FAEAAFDNTWULIX-UHFFFAOYSA-N 430.504 4.540 30 10 IJEE OCCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccs1 2325914227 JVOQTAAMAMLXOT-UHFFFAOYSA-N 443.381 4.582 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1[N+](=O)[O-] 2326379849 MQYFIUXTEXMFQR-UHFFFAOYSA-N 439.541 4.809 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(N(C)C)cc1 2326619613 ZCEJXSOYCDHQCD-UHFFFAOYSA-N 444.402 4.844 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)c1 2327465210 PLCONOLOVYJCQS-UHFFFAOYSA-N 443.454 4.777 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(O)c(OCC)c1 2327674442 XZWXOOOTLSFFJG-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cc(OC)ccc1OC 2327975023 XBYAXPIDRSOLKA-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc(OC)c1OC 2328568822 TUPAGJYOHAKOIH-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)c1 2328641149 VZBDDHLRZWEJTN-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1O 2328945482 HYBGLQCTHZZCBS-UHFFFAOYSA-N 436.581 4.945 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329285390 HCHWXAOMAUNGRR-UHFFFAOYSA-N 446.960 4.629 30 10 IJEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1cccnc1 2329489301 ASQYDHNJDNXLCY-UHFFFAOYSA-N 427.577 4.984 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330073612 VASCRHPRWQLZQE-NRFANRHFSA-N 432.605 4.869 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OCCC)cc1 2331100968 HPBUFDBSOJAZRP-UHFFFAOYSA-N 430.574 4.652 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(F)cc1)c1ccccc1 2331412770 GJFZPEFPBTXCIM-MRXNPFEDSA-N 439.560 4.566 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1C 2331835480 XTSHMETZKSJVAL-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE C=CC[C@H](Oc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCN1C(=O)OC(C)(C)C 2335739397 UDCRQADBGJICAT-CVEARBPZSA-N 427.295 4.690 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]1(C)CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582980 UAEVDWOTMVJDES-RBZOQEBVSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339594718 YNTVYSSABWKGIK-RBUKOAKNSA-N 444.381 4.798 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C 2358672546 ZGORRQWZSWISSY-VDGAXYAQSA-N 435.406 4.814 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@@H](CC(=O)Nc2cccc(C)c2C)C(=O)N1C 8816393 FTNFMXPMDQWFNA-YQMDHOPXSA-N 431.945 4.556 30 10 IJEE COc1cccc(C(=O)/C=C2\Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3NC2=O)c1 20156459 LKUFJMWRXWLRNQ-UCQKPKSFSA-N 441.487 4.695 30 10 IJEE Oc1c(Br)cc(/C=N\Nc2nc3c(s2)CCCC3)cc1Br 32673728 LWKZPDIZEFUPTB-IDUWFGFVSA-N 431.153 4.699 30 10 IJEE COC(=O)c1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 33890805 AVLYEWWTDWGEMN-CIAFOILYSA-N 434.831 4.962 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C(C)C)cc2)c1 35278515 ZOWARFCXKJZIPK-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE CCOC(=O)c1c(/N=C/c2cc(Br)c(OC)cc2OC)sc2c1CCC2 59459958 LCDJCJUMOFNOFP-UFFVCSGVSA-N 438.343 4.944 30 10 IJEE Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CC[C@H](C)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C 59500145 BEVZORAWSZHCSW-UFKKXMKYSA-N 447.539 4.768 30 10 IJEE COCCN1C(=O)/C(=C/c2cc(Br)ccc2OC)S/C1=N/c1ccccc1 101695314 ZOZZDQVSQYJXSK-YISMEOAQSA-N 447.354 4.708 30 10 IJEE CCCCCCCC(=O)N1CCC(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 102992039 PXADRNGQUFPCAM-UHFFFAOYSA-N 431.596 4.828 30 10 IJEE Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)o2)cc1 107807241 WSVPYFXEPFLXFP-UHFFFAOYSA-N 439.475 4.984 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)cc2)ccc1F 169964134 IMCAKVCGDZBWRU-OAQYLSRUSA-N 439.389 4.901 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1 170015969 MFBCJMZPESKUJX-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OC)c1OC 170126954 GPTYAFBQYSRGLG-QHCPKHFHSA-N 449.547 4.961 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C 170130041 BNMOLSOOPMVIJV-DEOSSOPVSA-N 448.563 4.981 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccc(C)c2)cc1 170142067 WXDMFVKRQLJKEU-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccn1 170172982 OOVGOMNVSRQBBM-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)cc1C 170198377 FLKKCFJYLBMYLU-OAQYLSRUSA-N 434.517 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170259320 MGPIGSRXBUESFJ-HSZRJFAPSA-N 427.456 4.500 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3cccc(O)c3)oc12 170259339 KCJFVULPNYJPQH-JOCHJYFZSA-N 441.439 4.930 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)o1 170306653 POFKDVJGXXLYKD-ACJLOTCBSA-N 436.291 4.652 30 10 IJEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccccn3)nc2cc1C 170479237 QWYVBYIXGPMHBE-GOSISDBHSA-N 437.521 4.524 30 10 IJEE Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(F)cc2)c(C)c1 254381073 HMIAOQBBXHUCNS-UHFFFAOYSA-N 442.472 4.598 30 10 IJEE N#Cc1ccc(Nc2cc(Br)ccc2I)cc1[N+](=O)[O-] 312272673 NUTMWRDXLPZJFY-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C=CC[C@@H](CO)NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482344326 JLJNWKYELOMLQT-NWDGAFQWSA-N 438.290 4.564 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)c2)c1C 499730436 HQYKREREOCOOEU-UHFFFAOYSA-N 438.535 4.978 30 10 IJEE C=CCn1c(C2CC2)nnc1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 508833173 ODMNENUKHVCFLC-MRXNPFEDSA-N 446.395 4.957 30 10 IJEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC2CCC(C)CC2)CC1 508842676 YXVIKXKMPQRBGH-UHFFFAOYSA-N 425.533 4.603 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508869249 ZWZSDPVUNHEMMN-UHFFFAOYSA-N 437.551 4.797 30 10 IJEE C=CCn1c(N2CC[C@@H](COCc3ccccc3)C2)nnc1C(F)(F)Oc1ccccc1 508939012 PLXKRQWLMRSZHB-HXUWFJFHSA-N 440.494 4.636 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C 519877849 XGFYCNFMRMUXLP-FQEVSTJZSA-N 436.556 4.867 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605725 FAMFRSGKZUPMML-XMMPIXPASA-N 442.471 4.641 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(SCc3ccco3)C2=O)cc1 526668605 IYHITBDMKRJGFM-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE N#Cc1cccc(CC(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)c1 530761159 IFHATOQFAMITMB-UHFFFAOYSA-N 442.450 4.550 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)C1CCOCC1)c1ccc2c(c1)OCCO2 533711476 BSNSYTMGFZPHAO-LJQANCHMSA-N 437.536 4.619 30 10 IJEE N#Cc1cccc(CN(c2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 586194953 XUFUXEZMGUCZTM-UHFFFAOYSA-N 431.561 4.944 30 10 IJEE C=CCCCN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C 605645459 CPIJNPARJOKBBS-UHFFFAOYSA-N 425.385 4.955 30 10 IJEE CN(C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(C#N)cc1F 609217393 DXXXWWCXFCYSFU-UHFFFAOYSA-N 445.538 4.807 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 693765615 WTUVQKPWTXBRNM-MCFFVMPBSA-N 448.568 4.852 30 10 IJEE C=C(COC(C)C)[C@H](NCC)c1ccc(I)c(Br)c1 721551222 OILYWVCWLRYTLR-HNNXBMFYSA-N 438.147 4.686 30 10 IJEE C=CCC1([C@@H](NCCC)c2c(F)cncc2Br)CN(C(=O)OC(C)(C)C)C1 722941980 YVNOZGXVIAWKTB-KRWDZBQOSA-N 442.373 4.837 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1cccc(F)c1 725436219 OLFJRRSFJADOCP-HNNXBMFYSA-N 426.300 4.723 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 735570799 PUBQFGXIJLETBE-GCJKJVERSA-N 445.485 4.922 30 10 IJEE C=CCCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 736724810 ODVCSGVQFQFTTN-UHFFFAOYSA-N 436.961 4.578 30 10 IJEE COc1ccc(-c2nc(SCc3ncc(-c4cccc(F)c4)o3)nc(O)c2C#N)cc1 747805734 JMAIYTSVQLVZNL-UHFFFAOYSA-N 434.452 4.816 30 10 IJEE Cc1sc2nc(CS[C@H](C)C(=O)OCC#Cc3ccc(Cl)cc3)nc(O)c2c1C 749196834 XBSNBOFPMPSFMJ-CQSZACIVSA-N 446.981 4.884 30 10 IJEE C=CCOc1c(Br)cc(CN2CCC(c3nccc(C)n3)CC2)cc1OC 757928317 GAGCXKSJHQTTNU-UHFFFAOYSA-N 432.362 4.501 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CCc3ccc(F)c(F)c3C2)c1=S 767784723 HOIVPEQXGGSSQT-UHFFFAOYSA-N 428.508 4.570 30 10 IJEE CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)n1 770436967 NMJKAFSPRWZLJE-ALFJJAPYSA-N 428.819 4.795 30 10 IJEE C#CCN(Cc1ncc(Br)s1)[C@H]1CCOc2ccc(Br)cc21 783471407 NFKJMZYOSUQHLU-ZDUSSCGKSA-N 442.176 4.627 30 10 IJEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 790089323 BYPLDHJNQZCFAM-QZQOTICOSA-N 430.291 4.515 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 796794910 YJNUJSXODQBVBC-WBMJQRKESA-N 433.291 4.558 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(C)(C(C)C)CC1 802584009 YMNNHLFKBKIHEN-UHFFFAOYSA-N 425.577 4.543 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C 804464951 XKCUXTZPFLQWGY-RTWAWAEBSA-N 434.577 4.540 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 917712065 CMTPQMGJWROAHM-OAQYLSRUSA-N 437.565 4.993 30 10 IJEE Oc1c(Cl)cc(Br)cc1C=Nc1cc(Cl)ccc1N1CCNCC1 1084642665 AIJUORRNJUPKPS-UHFFFAOYSA-N 429.145 4.622 30 10 IJEE CS(=O)(=O)Oc1ccc(C(=NOC(=O)Oc2ccccc2)c2ccc(Cl)cc2)cc1 1088674068 PNEORTKSXFNACL-UHFFFAOYSA-N 445.880 4.646 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 1125223741 ZYSLKCHNYQHYMK-UHFFFAOYSA-N 434.948 4.982 30 10 IJEE CC[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)Cc1cccc(Br)c1 1126274781 DCXBMRIFQWTLAX-VGSWGCGISA-N 440.385 4.675 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(CC)o2)c1 1126830104 LKXXBVULTYAMSU-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1127890484 FNLNUJWBYAYCOR-HTAPYJJXSA-N 427.479 4.595 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cnc3ncc(Br)cc3c2)C(F)(F)F)cc1 1128867273 UHEXJONKDGEFEK-INIZCTEOSA-N 435.199 4.834 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2cc(Br)ccc2OC)n1)c1ccc(F)cc1 1129717804 XWINHGBVUBDLGM-INIZCTEOSA-N 445.313 4.825 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(Cl)c1 1134652412 FQKZUQWSSSWNPJ-UHFFFAOYSA-N 445.935 4.695 30 10 IJEE Cc1cc(C)c(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(O)n1 1136302784 XLKRMBHVSJTEBE-UHFFFAOYSA-N 446.454 4.523 30 10 IJEE CC(=O)N/C(=C/c1cccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1136332166 ZVAXWPYIFLVOPJ-HZHRSRAPSA-N 431.517 4.509 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1)C(C)C 1136649762 DIGNZAWETJZKMM-OAQYLSRUSA-N 435.399 4.916 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(Br)cc2NC(=O)c2ccc(OC)cc2)cc1 1158767364 JDSQJMPEHJVBHU-UHFFFAOYSA-N 449.304 4.944 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)ccc1Cl 1176531963 GONDVXUVCNIYMP-KHCICDEESA-N 425.960 4.746 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])cc1OC 1179685365 KZHHRYPVWLGWMC-AWEZNQCLSA-N 435.318 4.824 30 10 IJEE C=CCn1c(SCC(=O)CC[C@H]2CCCCO2)nc2sc3c(c2c1=O)CCCCC3 1187972096 HJPGJQQXNHGOOG-QGZVFWFLSA-N 446.638 4.923 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1ccc(OCC)cc1 1188899024 CCDSXKCWCWOAIR-KRWDZBQOSA-N 440.569 4.831 30 10 IJEE N#Cc1ccccc1-c1ccc(Cn2c(-c3ccc(Br)cc3)noc2=O)cc1 1190044609 DAHHFEZQUCUHTI-UHFFFAOYSA-N 432.277 4.853 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](c2ccccc2)C2(CO)CCCC2)n(C2CCCC2)c1C 1194930517 FJRTYAYQMDXTRU-RUZDIDTESA-N 448.611 4.914 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCNC(=O)[C@@H]3CC3CCCCC3)cc2)cc1 1199267310 GDMUMMYFTUJWBB-QHCPKHFHSA-N 432.524 4.653 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2CCCc3ccccc32)cc1OCC 1199800679 IMNLDPHYEGGHLZ-UHFFFAOYSA-N 445.401 4.955 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 1216441294 ADXGXOJVZSBQEB-UHFFFAOYSA-N 438.837 4.593 30 10 IJEE COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1264023113 FEPDFCNZDNWSQX-UHFFFAOYSA-N 446.459 4.715 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)O[C@@H]2CCc3cc(Br)cnc32)cc1OC 1274606380 LOGYIKCYAGILDZ-QKYXPGDISA-N 430.298 4.661 30 10 IJEE C#C[C@@H](NC(=O)c1c(F)ccc(I)c1Cl)c1ccc(Cl)cc1 1275448050 OHYGXWCIKJAKMX-CYBMUJFWSA-N 448.062 4.841 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286356559 JMQPIZNLVWUFCB-SIKLNZKXSA-N 447.410 4.907 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCSC(F)(F)F 1286434166 GUDDFGCJMONUGD-UHFFFAOYSA-N 438.544 4.595 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COCc1ccccc1 1286452677 JQDPZXGPVZEZQC-YMPZKCBVSA-N 438.616 4.509 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1 1286497076 MLQOCGMDLXEFEU-XLIONFOSSA-N 448.633 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCCCC1 1286567620 RTBVIHDPQKLYCG-GCJKJVERSA-N 430.980 4.872 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1c(C)noc1C 1286570288 SLLXTGKZSGFHIP-ZDUSSCGKSA-N 447.381 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCO[C@H]1c1ccccc1 1286584143 XJQMXVFYQMONMC-NOZRDPDXSA-N 448.615 4.710 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C(C)C 1286632727 DXPZDSXSYOJBGR-KRWDZBQOSA-N 439.785 4.997 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCSCC1 1286684541 IWZDLAXRXLDMLY-UHFFFAOYSA-N 425.371 4.756 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1nccs1 1286684972 MJWZYHWYRNPRJA-UHFFFAOYSA-N 435.395 4.527 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1286699755 WBTFLFZLQWRZHY-YADHBBJMSA-N 428.552 4.811 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccccc1 1286709248 ZXKQXXOJXIWQIG-MRXNPFEDSA-N 444.377 4.826 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCc1ncc(CC)s1 1286745500 USYJDLJCRVWING-HXUWFJFHSA-N 441.576 4.723 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H](CC)N1CCCC1 1286747040 ILUUMXPUJBHSKF-FYYLOGMGSA-N 441.595 4.726 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCSC1 1286759264 AJVXYJKQWFCFQK-IBGZPJMESA-N 440.016 4.982 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](OC)C(C)(C)C)C1 1286800488 LVDUBEBQLNXKJP-FSSWDIPSSA-N 426.605 4.662 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1300401713 XGLODQLZKKQCEA-JOCHJYFZSA-N 449.643 4.848 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(C)(F)F 1300509631 QUNCEAHPESZSMQ-QGZVFWFLSA-N 434.918 4.806 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1301027148 JJRONPUREBDUKY-LJQANCHMSA-N 444.366 4.932 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1301260078 VVTHWWGKGOAPBS-IRFCIJBXSA-N 428.552 4.604 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1c[nH]c2cccc(C)c12 1301271163 XABZZNMVXYRDHY-UHFFFAOYSA-N 439.361 4.690 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nc(C(F)(F)F)cs1 1301289328 ARBYOKGIAUGULF-UHFFFAOYSA-N 446.458 4.746 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC1(N(C)C)CCCCC1 1301399757 ULAHLQNDHUCWMU-UHFFFAOYSA-N 444.627 4.840 30 10 IJEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)[C@@H]1C 1305250350 BJAZVLNLJINSAA-KGLIPLIRSA-N 430.002 4.910 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cscc1C(F)F 1309139212 OIPPIFWMORNLLD-UHFFFAOYSA-N 440.306 4.964 30 10 IJEE CC#CCCCC(=O)O[C@@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1349105110 LUPVTOKOYGEKPL-WZONZLPQSA-N 447.984 4.827 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 1353282128 HMMNEUHVORGBDB-NRFANRHFSA-N 428.532 4.853 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)(C(F)(F)F)C1 1356546249 DFQFCHDDKCQDGZ-INIZCTEOSA-N 444.347 4.973 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)s1 1357352178 FVBNTKCXRFRUHS-INIZCTEOSA-N 426.991 4.639 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccc(C)cc1 1358877395 DAYYLZVCRPTNFH-RTBURBONSA-N 434.609 4.977 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1oc(CCC)nc1C 1358972811 UHOJMPSTYWCIKD-UHFFFAOYSA-N 429.568 4.613 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CCCS1 1359016858 NTIMYWACSOFVGA-NZQKXSOJSA-N 428.577 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359093080 JWCJHTSUMBVGFG-VJBWXMMDSA-N 438.616 4.740 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359145257 KNGRBJBBNHBVHO-DYVFJYSZSA-N 439.785 4.630 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1359157398 IFJRIZNVXVSNDM-HMXCVIKNSA-N 445.007 4.952 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CCC[C@@H]2C)CC1 1359161678 NBVOSOHNDNQDSN-SFHVURJKSA-N 444.421 4.657 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC(C)(C)C2)CC1 1359165754 WCYRHPVEWWQMNT-FQEVSTJZSA-N 443.636 4.985 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2C#N)CC1 1359201028 ZLRHHOQMQGOVJO-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC(O)(CC)CC)C1CC1 1359247867 RRXIXNSKZLUPST-UHFFFAOYSA-N 437.357 4.553 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1359268819 DNONWKVAWZLETA-QHCPKHFHSA-N 435.616 4.929 30 10 IJEE Cc1ccnc(Oc2ccc(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cc2)c1 1435602342 IBJWJQRLJZPYDA-UHFFFAOYSA-N 428.492 4.569 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 1452529274 FYVOJOGLIADHOT-UHFFFAOYSA-N 431.580 4.620 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O 1458794189 FQIHOFLKANJXGZ-HEQHKCQXSA-N 445.588 4.944 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@@H]1CCCO1 1458818104 XXVHLNWGIMPJQQ-HKUYNNGSSA-N 442.606 4.642 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)CCCN1C(=O)OC(C)(C)C 1461597745 UAWNLXGVTJUTRN-DQEYMECFSA-N 428.573 4.531 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2ccc(Br)c(F)c2F)c(OC)c1 1462203102 LHYNIVRCJLZVLP-UHFFFAOYSA-N 427.241 4.587 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)C(C)C 1464870247 LQFJHSSNYVIXTO-QFIPXVFZSA-N 444.982 4.582 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc(OC)c1OC 1465189840 ZZMSWMQHMPMETF-UHFFFAOYSA-N 441.528 4.940 30 10 IJEE C=C[C@H](C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1465512188 TZZMRCSOGDIGJT-LOSJGSFVSA-N 433.573 4.828 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)c1 1466030354 TUQLJASAWCPJMY-JOCHJYFZSA-N 447.000 4.856 30 10 IJEE Cc1ccccc1C1(CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CCCCC1 1466172455 CSDURTAVBFSPKS-IBGZPJMESA-N 439.581 4.704 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1467935029 HYRDGMZSVZJTQC-GUXCAODWSA-N 436.955 4.943 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1467935600 WKTPJXVLTIHMRA-LJQANCHMSA-N 428.891 4.881 30 10 IJEE C=CCCC[C@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)C(=O)OC 1471893609 MJHLZZJQWCWXMR-HNNXBMFYSA-N 426.460 4.765 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)N2CCCCC[C@@H]2c2ccccc2)cc1Br 1474903663 BZTCGGAVJMAAQS-GOSISDBHSA-N 437.334 4.766 30 10 IJEE Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1476056885 CSFCGWOYULMMDS-UHFFFAOYSA-N 441.535 4.794 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C34CCCC4)cc2n1 1477122361 XSLGLQZAPQQNBE-HXUWFJFHSA-N 439.560 4.666 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1477593896 PMYADYVNSGXQGW-RCZVLFRGSA-N 449.595 4.989 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](CCOC)C1 1507573725 JIBBDTOJGUWQNJ-WOJBJXKFSA-N 445.007 4.965 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507602001 LKWDRWDJOSOODN-UEXGIBASSA-N 445.007 4.982 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(CC)(CC)OC 1507662042 DDIFFHZBRUEEQS-IBGZPJMESA-N 438.641 4.800 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1507806057 OBENYNDMBGIRLB-JLMWRMLUSA-N 439.560 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@@H](O)C1 1507813957 GLMGCFJUKIQYIN-LSDHHAIUSA-N 439.423 4.723 30 10 IJEE C=C(C)Cn1c(N(C)Cc2cn(C)nc2C(F)(F)F)nnc1C1(c2ccccc2)CCC1 1507835248 RHHZBYPXEYTBHI-UHFFFAOYSA-N 444.505 4.713 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1507924398 MVKKMPDAJYYKSN-FGZHOGPDSA-N 435.616 4.647 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cc(F)ccc1F 1507929127 NMEKENJEUBQYCL-UHFFFAOYSA-N 443.498 4.515 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2COc3ccccc3O2)n1CCCSC 1508007807 IIFSJBQLNJKZCU-HXUWFJFHSA-N 442.610 4.798 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1508019938 KHXANAHZBYQZHU-OZXSUGGESA-N 443.595 4.919 30 10 IJEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCCC1(F)F 1508998366 AHUSUWQDUGDSQK-GOSISDBHSA-N 446.521 4.564 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)C1 1512098499 FCMXKYCPHFZNFP-JKHABCDFSA-N 435.597 4.801 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC[C@@H]1C 1512987552 ATCRLSKGMAOYIK-AWRGLXIESA-N 434.632 4.812 30 10 IJEE C=CCC[C@H](C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1514716157 ASFREHUHJSVHCM-FPOVZHCZSA-N 441.369 4.729 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)cc2C1=O 1518152121 FWJCJAJVJFIVRI-UHFFFAOYSA-N 433.851 4.562 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)COc1ccc(Br)cc1Cl 1525639619 QVMIBNIQGSDXAU-UHFFFAOYSA-N 440.769 4.864 30 10 IJEE C=CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 1526505801 XJMDRESMUBAQNZ-UHFFFAOYSA-N 434.277 4.694 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 1528000901 KPCNDPJDIWGEIV-MRXNPFEDSA-N 443.341 4.568 30 10 IJEE COC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccc(F)c(C)c1 1528172794 GHUISANXVMBDDU-QHCPKHFHSA-N 432.451 4.751 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 1529074533 KPXDIFWVRYMFSB-UHFFFAOYSA-N 444.560 4.877 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3cc(C)ccn3)cc2)ccc1OC 1529280122 GGOSIOFQTAUKDQ-HXUWFJFHSA-N 431.492 4.802 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N(CCc3ccc(Cl)cc3)CC3CC3)C2)c(F)c1 1530911347 CALAGWZCXSEYJA-HXUWFJFHSA-N 425.935 4.658 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)c1ccc(Br)s1 1531612892 PMJNVHXIBSQJRW-LLVKDONJSA-N 439.327 4.743 30 10 IJEE C=C[C@@H](OC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1)c1ccccc1 1532387700 NOWOFXVXSNOBIU-JOCHJYFZSA-N 427.566 4.808 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2cnsc2)ccc1Cl 1533166684 CFHQXIMFWOUTGG-UHFFFAOYSA-N 448.953 4.535 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CC2(C)C)c1 1533647153 RPLZPZRHXZVCEE-SFHVURJKSA-N 447.000 4.839 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)cc1 1534387663 UFNCGMBDAHYCMW-UHFFFAOYSA-N 426.314 4.596 30 10 IJEE C=C(CNC(=O)c1csc(I)c1Br)c1ccccc1 1535088854 TUTJRJTXJLRCNN-UHFFFAOYSA-N 448.123 4.558 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c1 1536864707 XQZHXMJXPYBCRN-UHFFFAOYSA-N 425.488 4.594 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(OC)cc3c(OC)ccnc23)CCCN1C(=O)OC(C)(C)C 1536960876 QNYCAQJPZXTIFS-XMMPIXPASA-N 441.528 4.536 30 10 IJEE C=CCn1c(SCC(=O)NCC2C[C@@H]3CC[C@H](C2)S3)nnc1-c1ccc(Cl)cc1 1537989064 XCGGLRLAEKVEAY-DODVFSASSA-N 449.045 4.667 30 10 IJEE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1538387124 DSXRCCNAZSMXKX-GOSISDBHSA-N 449.429 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC(C(C)(C)C)C1 1539012124 IWRRZELWUCTPBE-WBYGSUFKSA-N 443.636 4.848 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)Cc1cccs1 1539031470 JIFTUMDAXXWFIK-DLBZAZTESA-N 428.989 4.909 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCCO1 1539622030 VAYYCHMGEZDQDL-GIVPXCGWSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCC1CCOCC1 1539654493 ANVZHLYSCPPYHP-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1539683337 OYABNDCDWFHDSI-LJQANCHMSA-N 439.947 4.681 30 10 IJEE C=CCOc1ccc(CNC(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)cc1 1539684286 MXEIHIJZNOMRSJ-UHFFFAOYSA-N 425.891 4.648 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539801784 IHHMFHIVRLAXSH-RTWAWAEBSA-N 425.964 4.603 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1539952766 IVFUOXJBFQLHPW-QFIPXVFZSA-N 447.583 4.732 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@H]1CC 1540073387 ZXZBDQDGZKYXQU-HSALFYBXSA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1CCC)C1CC1 1540109010 VIHCTTHGFDTCQZ-UYAOXDASSA-N 429.609 4.909 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 1540546882 MXJNCNWETDVQHH-INIZCTEOSA-N 449.960 4.975 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1Cc1ccccc1 1540861324 LOEXSDDZOKRIJR-SFTDATJTSA-N 437.588 4.748 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2CCc2sc(C)nc2C)cc1 1542503696 DFIWBCRWNLYTBV-MRXNPFEDSA-N 440.642 4.791 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(OC3CCCC3)cc2)n1 1542538840 DLDQQBXKSHBTAI-LJQANCHMSA-N 430.556 4.757 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12)C(C)C 1542931976 CJUBUOOWUKURAR-VWLOTQADSA-N 445.611 4.681 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 1544269209 OWCMWTLTQNNMDW-LJQANCHMSA-N 429.347 4.508 30 10 IJEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1sc(C)nc1C 1545638143 HFMCHQSRFFUPMM-INIZCTEOSA-N 438.601 4.527 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)cc21 1563315795 QXTHZXLVFKBHBH-UHFFFAOYSA-N 430.339 4.883 30 10 IJEE C#CC[C@@H]1CCN(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 1563803108 LKMUYMMNJFDIKB-LJQANCHMSA-N 432.955 4.790 30 10 IJEE Cc1nnc(COc2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc2)o1 1585312378 AKEFFPWZIGLXDR-UHFFFAOYSA-N 440.459 4.660 30 10 IJEE Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(Br)c1 1586652882 FLTVUFTWFKPJNC-IMFGXOCKSA-N 427.342 4.823 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)C2CCC(F)CC2)nnc1-c1ccc(Cl)cc1 1588277690 IGEMLLVKSWBUNZ-KSTDHSDQSA-N 436.984 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCCO1 1589608428 HWIBFZALTIAZNZ-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1C[C@@H](C)O[C@H](C)C1 1589625282 AAUYSMNCXUECDH-QZTJIDSGSA-N 428.577 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1593833957 HKPLETFLDQADSD-KRWDZBQOSA-N 442.951 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1594078054 ZLMKFAQEWXWXIU-KRWDZBQOSA-N 445.995 4.916 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(O)cc2)CC1 1594208165 BPVDWIIUWSWPRV-UHFFFAOYSA-N 445.386 4.925 30 10 IJEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CC=C(C(F)(F)F)CC1 1594824645 OGYSKBTXIXDBRX-UHFFFAOYSA-N 445.489 4.573 30 10 IJEE C[C@H]1CCc2sc(NC(=O)c3nc(Br)c4ccccn34)c(C#N)c2[C@H]1C 1595890972 GFPMNEMDRUSEPS-QWRGUYRKSA-N 429.343 4.968 30 10 IJEE C=CC[C@@]1(C(=O)N=[S@](C)(=O)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1611350610 CSXSEJLKFLZQNB-WTYVLRPYSA-N 426.966 4.669 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1614085119 AJTQJQOGONKQCH-HLFHMTEMSA-N 434.632 4.952 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(C)c1F 1618495134 RPPNSYCWDKVVLJ-CYBMUJFWSA-N 435.721 4.871 30 10 IJEE C[C@@H]1C[C@H](CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC(C)(C)C1 1622087121 AVGBYNHGXVRHMN-OLZOCXBDSA-N 431.371 4.591 30 10 IJEE N#Cc1ccc(NCC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)nc1 1624276260 DLQIHQXNEQXHLS-UHFFFAOYSA-N 429.867 4.998 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C(=O)OC)cn1)c1ccc(C)c(C)c1 1628569872 UCPDLZRKIZZDIB-UHFFFAOYSA-N 430.504 4.897 30 10 IJEE Cc1sc2nc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)nc(O)c2c1C 1631406509 GGLSFECHSPKNHB-UHFFFAOYSA-N 445.504 4.644 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633894971 MXYAOKBJPLNNOW-WINIVTDRSA-N 430.548 4.566 30 10 IJEE C=CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1635397746 QMHOGZDPQADLNM-IZBXUMLASA-N 428.532 4.787 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 1635491202 PVHXYAVSOHTRQK-UTKZUKDTSA-N 445.387 4.567 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC)c1ccc(F)cc1 1636547716 GWUJLHPSVWRGFK-RBUKOAKNSA-N 431.305 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1637146229 DUACBQAFIUDEMO-PKTZIBPZSA-N 446.551 4.916 30 10 IJEE CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1638052720 WSLDRZWYJJJWJT-MRXNPFEDSA-N 435.339 4.906 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCCc2ccccc21 1638384703 QBDIHISLMNUAEN-RTWAWAEBSA-N 439.353 4.995 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1640186234 DEHHDMLVLWVEFS-XHCCPWGMSA-N 430.548 4.566 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2)c1C(F)F 1640450864 MIIGZZGHFXXCIH-CQSZACIVSA-N 440.878 4.784 30 10 IJEE Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC[C@@H](O)COc1ccccc1C#N 1654052699 BUJIBFVOVSDBJE-AUUYWEPGSA-N 427.957 4.734 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)cc1OCC 1656683958 LELNRZXYEGHKDB-XOBRGWDASA-N 438.337 4.763 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCc4ccc(O)cc4C3)c2C#N)C1 1657638629 BPPJRDDZKPVNFQ-GOSISDBHSA-N 437.609 4.863 30 10 IJEE C=CCN1CC[C@@H](N[C@@H](CC)c2ccccc2OCc2ccccc2Br)C1=O 1658031337 LJGCHTQYKKCCSX-LEWJYISDSA-N 443.385 4.856 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)cc1 1658320437 JXXLVHMOMRFMMM-UHFFFAOYSA-N 441.597 4.517 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccnc1OCc1ccccc1)c1ccc(Br)cc1 1658429741 ZNBYRPSNXFBZEF-LJQANCHMSA-N 436.309 4.919 30 10 IJEE C=CCN(C(=O)CN1CC[C@](C)(C#N)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1659525214 VTTDPWLCFOJOAN-HXUWFJFHSA-N 435.380 4.871 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 1664989451 GKJKKNCMUPUPLK-SBUREZEXSA-N 431.964 4.870 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C 1666025443 IMEFOTODRFOVNR-UHFFFAOYSA-N 440.395 4.588 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccc(OCC)cc2)CCOCC1)c1ccc(Cl)cc1F 1667263315 BOIOTXFKWQPKCA-QFIPXVFZSA-N 444.934 4.600 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)CC1 1667409334 WOIASGPCJXDOQF-UHFFFAOYSA-N 434.515 4.724 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)[C@@H]2C1 1668351158 DVIARPYXZWFTJE-GHTZIAJQSA-N 448.523 4.824 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(SC)cnn1-c1ccccc1)c1ccc(Br)cc1 1669374351 IZSFCFURIQGKBK-QGZVFWFLSA-N 441.354 4.853 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1680855606 NZBCVFCCSPQFIQ-PBHICJAKSA-N 429.483 4.925 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)cc1 1681090589 MFGPUHIZYMPYBW-SFHVURJKSA-N 437.297 4.849 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C)[C@H]1CCOc2ccc(Br)cc21 1681153399 JHLLWPXIGAUPHN-SXLOBPIMSA-N 449.389 4.510 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1682356641 KQWJFFFGSCDKOI-BHIFYINESA-N 425.573 4.572 30 10 IJEE C=CCC1(CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCC1 1682500987 PIQIQJWRBRYOQK-TXEJJXNPSA-N 434.371 4.935 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1683106273 CXHUFCVKIOXYRA-FDFHNCONSA-N 431.502 4.503 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1690115674 OVUVQLVBLDVJNI-SFHVURJKSA-N 447.961 4.569 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1690232519 NEENKVLVIKRNNY-UHFFFAOYSA-N 443.748 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)N(CC)CC 1690257857 WSBTVMQMXIRRKG-QGZVFWFLSA-N 434.426 4.840 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2cc(C)on2)CC1 1690367420 ODEJTWGHQSIJIB-UHFFFAOYSA-N 448.752 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](OC)C1 1690437768 OSUGWGRYXQIVDL-OAQYLSRUSA-N 426.605 4.982 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2)CC1 1690469466 QBMXALRKLVIOPJ-DHIUTWEWSA-N 437.632 4.880 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCCN(C(C)C)CC1 1690475014 BOUNGYYGWYWJFW-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)c1ccsc1 1690516198 BFSLDOZWMJCJJF-VWLOTQADSA-N 447.608 4.944 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)cc(OC)c1 1690518848 XDVXLSGWYNJPMZ-OAHLLOKOSA-N 426.561 4.950 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cc(C)cs1 1690649685 JYGFGIFVUMMPHN-UHFFFAOYSA-N 433.375 4.812 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1)SC 1694262919 HLCPMWMPQVAOPV-NRFANRHFSA-N 449.628 4.814 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1705517993 ICTIPKWWKBUUNF-OAQYLSRUSA-N 447.627 4.918 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCOC2(CCCCCC2)C1 1705520640 APNMOESDSWXXBS-UHFFFAOYSA-N 440.563 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1CCc2ccccc21 1705603455 PUWSZDOJJXYACJ-ICDZXHCJSA-N 444.623 4.780 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705657218 XFDWHFKFRWJGDX-LJQANCHMSA-N 437.638 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(F)cn2)CC1 1705777680 KEYWMLIBXBNXRG-UHFFFAOYSA-N 448.365 4.754 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705813940 XYYRRTMAVHBXEG-GOSISDBHSA-N 430.980 4.705 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCCN1CCC(C)CC1 1705865841 YPVRMXWYYUMXGG-UHFFFAOYSA-N 438.645 4.660 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](c1cccc(F)c1)N(C)C 1705878877 DPSUHKSHOGPASJ-JOCHJYFZSA-N 439.579 4.846 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2nc(C(C)C)cs2)C1 1705919771 KPTCETPCWADJJC-FQEVSTJZSA-N 437.613 4.917 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2OCC)CC1 1705946261 CTHWYLMPJXKVQC-UHFFFAOYSA-N 443.661 4.511 30 10 IJEE COC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1711622361 HBTYSTZQZXUJOA-HXUWFJFHSA-N 435.906 4.529 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1CCC(C(F)(F)F)CC1 1722299074 DRYXEVNOEMDTKR-MUYFXNHWSA-N 434.506 4.704 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1722340802 IQOPERHQNHZXSY-BQJUDKOJSA-N 441.620 4.778 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1722590464 FEUYCLNTFVMZMF-GHTZIAJQSA-N 440.588 4.743 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1N(C)CCCC1(C)C 1722635279 OWRSVWYQGZFDNO-LAUBAEHRSA-N 427.662 4.874 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722667426 YNFWINODTHPMQT-MBSDFSHPSA-N 429.012 4.682 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCCC1(F)F 1722679602 GWABYILRIILZDA-QGZVFWFLSA-N 429.515 4.891 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC=C(C)C1 1722736068 WQDUMTIYOMNPTC-UHFFFAOYSA-N 437.382 4.922 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)C1CCCC1 1740537041 AHUJNLVWSOKAMA-FQEVSTJZSA-N 444.627 4.685 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCC1(F)F 1740630933 GRLHMBRSZFSYAP-LEWJYISDSA-N 440.538 4.933 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCCN(CC(C)C)C1 1740649451 UNULZAVBAKZFEG-RSXGOPAZSA-N 445.655 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1cc(F)ccc1SC 1740775658 IAFFOXZVBYTLPE-UHFFFAOYSA-N 431.606 4.946 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCn2cc(C)nc21 1740857397 MDJPVGMNCHWILS-LEWJYISDSA-N 426.609 4.785 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1740869805 ABFSNSBTOPXUCW-IFXJQAMLSA-N 449.368 4.817 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1740870548 QMFKWZQPTQQHLL-IBGZPJMESA-N 431.531 4.577 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1740872408 IPENRBJCGXNHRK-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCC(C)CC1 1740894133 JSUKOFKIXJTPHG-LJQANCHMSA-N 427.662 4.876 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(OC(C)(C)C)nc1 1740902709 WLKHVUUHCIFVRL-UHFFFAOYSA-N 430.556 4.593 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1740914026 YXVKSXHSSCUHKC-GBXCKJPGSA-N 449.599 4.725 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1748654530 JNNHJENXCILYIX-IBGZPJMESA-N 449.002 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)CCC 1749053185 CJSAHGGJYKYRLP-NLSFWIRASA-N 430.980 4.615 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749120517 FOJZKFXDBDWJQP-ZJOUEHCJSA-N 428.577 4.612 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1749210955 PUBNHISONSLOAV-LJQANCHMSA-N 436.604 4.884 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749213522 MCHSAUOOJGFUBK-PKTZIBPZSA-N 438.616 4.544 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1749276635 OKFVYYWQBSQRTM-LJQANCHMSA-N 429.977 4.736 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCSC2(CCCCC2)C1 1749354730 XVPFOWDHPGMAPW-IBGZPJMESA-N 436.666 4.861 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749359380 JVGPVEKZJFXKHX-RXVVDRJESA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)S[C@@H](C)C1 1749359665 MMZLYCCQIKMJIC-IRXDYDNUSA-N 428.602 4.649 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1749385238 PFFWPJQUYGQWIG-WRALFONMSA-N 444.627 4.543 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1749393082 JQPMMVQIUUZQNH-HSZRJFAPSA-N 428.602 4.652 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749393272 QDKWJYUSBCQCIN-UHFFFAOYSA-N 428.886 4.848 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C 1749529853 NDEOWIJCTFGTFA-FCHUYYIVSA-N 442.604 4.782 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1nc2c(s1)C[C@H](C)CC2 1749531518 IZMDAHIDHUXTSH-QGZVFWFLSA-N 432.597 4.534 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@H](c3nc(CC)cs3)C2)cc1 1749686624 WASSQSWTMDFCQI-IBGZPJMESA-N 437.613 4.857 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1749754024 DSXGNRIBMLKOEL-NHCUHLMSSA-N 428.602 4.789 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@H](C)Cc2cccs2)c1 1760126532 BESJZMCPFMMGLR-MOPGFXCFSA-N 449.624 4.788 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1760140414 MLLZZSYHYJJRMH-UHFFFAOYSA-N 441.579 4.760 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)c1nccs1 1760207538 MYJJVVRZDKPKGM-HXUWFJFHSA-N 447.608 4.622 30 10 IJEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(C)[C@H](C)c1cccs1 1760284965 WKEKVXGMOWBXKV-QGZVFWFLSA-N 426.611 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1760315161 AXBFMLVLZQTQDW-OOSNJVJTSA-N 443.979 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760331715 PVROMKCKAAHVEI-QGZVFWFLSA-N 432.597 4.849 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760386674 GFFHBAMPMNUMOL-KBXCAEBGSA-N 439.412 4.980 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)NCCC)CC1 1760408711 FLWZDGOFASETLP-UHFFFAOYSA-N 444.023 4.943 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OCC(F)(F)F)C1CC1 1760473933 JIIXNTMQXNUZMT-IBGZPJMESA-N 436.478 4.664 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@]1(C)CCCS1 1760479559 SYNYTYLHWXOLLA-VWLOTQADSA-N 444.608 4.999 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1Cc1cccc(C(F)(F)F)n1 1760484241 RTIYGAQNYYSMIK-UHFFFAOYSA-N 449.452 4.608 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(CC)C1CCCCC1 1760533410 GHJKFEYMTKCRGB-UHFFFAOYSA-N 448.615 4.912 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC=CCC2)C1 1760537695 QXSKRRDGSGHTSV-MJGOQNOKSA-N 428.964 4.745 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C)CC2)C1 1760538686 GJXQDNJAIBMSAZ-QGZVFWFLSA-N 431.378 4.597 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1761992119 DCADQFGUJXUTFQ-DFBJGRDBSA-N 439.604 4.542 30 10 IJEE N#CCC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCSC(F)(F)F)CC1 1771538160 FDWBOAYFJZIYBA-UHFFFAOYSA-N 448.518 4.733 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc2c(c1)CCCN2C 1862422009 USPCNXGHAOLWOU-RCDICMHDSA-N 440.490 4.724 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1862445862 GDZWHWRMHYXNSG-IBGZPJMESA-N 442.302 4.538 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(F)cccc1Cl 1862461476 GESJJPQVSYWNSF-KRWDZBQOSA-N 425.765 4.661 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc2cc[nH]c2c1 1862463569 ISXZDHGRTJFBAN-GIPWTMENSA-N 428.410 4.962 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862561867 YTAJNCSRMJTLHA-QFIPXVFZSA-N 443.528 4.633 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1862649666 CWAFAYCGLDEMCO-HSZRJFAPSA-N 433.479 4.984 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862677274 CAMFWXJRLLBPIL-JOCHJYFZSA-N 447.510 4.667 30 10 IJEE CC(C)Oc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2)C1=O 1862765310 HMODIIUMYKBZDD-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2cc(OC)ccc2OC)C1=O 1863717611 UARQLHRESCNHHM-UHFFFAOYSA-N 428.573 4.700 30 10 IJEE CCCCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCOC)C1=O 1863814271 SNMCIIAHTBEHBC-UHFFFAOYSA-N 425.573 4.625 30 10 IJEE C[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccccc1C#N)C1CCCC1 1867021161 KWXDABKUHROILN-FDDCHVKYSA-N 435.593 4.741 30 10 IJEE COc1cccc([C@H](C)CC(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)c1 1867111645 AUZSOWDISARDPI-CJAUYULYSA-N 427.504 4.557 30 10 IJEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868355734 PDFMRCOCTCSZGT-NRFANRHFSA-N 446.599 4.807 30 10 IJEE CCOc1ccc(CCn2cc(OCc3ccc(C#N)cc3)c(=O)cc2C)cc1OCC 1870089731 APCOVVZOPVNKFI-UHFFFAOYSA-N 432.520 4.648 30 10 IJEE CCCCCCCCNC(=O)c1cn(-c2ccc(Br)c(C)c2)c(=O)cc1O 1870128310 OXONBQLPHJBKBT-UHFFFAOYSA-N 435.362 4.704 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)CCCOc1ccc2ccccc2c1 1870144901 NBLVSOLNZPSSDZ-UHFFFAOYSA-N 449.873 4.882 30 10 IJEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1870145840 RLZXGHAEJMOJOH-UHFFFAOYSA-N 431.540 4.797 30 10 IJEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871073896 WMZYRKPHGHMQFZ-UHFFFAOYSA-N 433.527 4.965 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1cc(C)ccc1C 1871190965 NVKPKGVQEWMKNK-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OCCN3CCCCC3)ccc21 1871451152 GXMIFOWCVOLUFT-UUYOSTAYSA-N 441.911 4.687 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871799702 KTBRLZXBYXWZHP-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 1871967775 AAJPKPKCMWVAIT-OAQYLSRUSA-N 436.524 4.585 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872246408 HSHJIKIZZMGFFA-KSSFIOAISA-N 426.991 4.632 30 10 IJEE N#C[C@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(Br)c2)cs1 1872764630 SLULUEXWLADGDZ-OAHLLOKOSA-N 442.294 4.900 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCCc3ccc(F)cc3)cc2[nH]1 1872806839 IWTSPHBSYVINAL-UHFFFAOYSA-N 445.494 4.818 30 10 IJEE N#Cc1cccc(Nc2nc(N3CCOc4ccccc43)nc3c2cnn3-c2ccccc2)c1 1873484148 JCBHAZMCLFDUEH-UHFFFAOYSA-N 445.486 4.961 30 10 IJEE Cn1ncc(N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c(Cl)c1=O 1873526049 KSGQFGPZNYUQDT-NUGSKGIGSA-N 437.714 4.766 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(NCCc3ccc(F)cc3)ncnc21 1873616226 ZCKOTXVFNDAIJE-UHFFFAOYSA-N 429.499 4.972 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCCc3cnc[nH]3)ncnc21 1873619817 OSXWTQMYJGTEEZ-UHFFFAOYSA-N 443.555 4.545 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccc(OC)cc2)CC1 1874287724 UAPGKCFZEYAFFS-BUVRLJJBSA-N 444.601 4.898 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874303914 XWBGZJBPJNGFTB-ZVHZXABRSA-N 436.537 4.516 30 10 IJEE CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(Br)ccc1O 1874356009 MULUTXWWSUKKCG-SRZZPIQSSA-N 431.359 4.558 30 10 IJEE OCCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874381122 CQELBCGGJQQKHF-FSJBWODESA-N 439.343 4.672 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1F 1874416820 JUOAWDDSFNRMBP-CVKSISIWSA-N 446.507 4.881 30 10 IJEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2nc(O)c3ccccc3n2)c1 1874440146 LEUFTAHKJXLBBI-AFUMVMLFSA-N 446.580 4.998 30 10 IJEE COCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874469973 HJUWOMKZESMKER-DHRITJCHSA-N 434.487 4.969 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874525910 LGNTWFVSXQIBFD-AFUMVMLFSA-N 448.548 4.891 30 10 IJEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccccc1OCC 1874567793 QVFXCPQYTIQTSN-LFVJCYFKSA-N 440.569 4.996 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC(=O)NCc1ccco1 1874598206 AKHBKUYSRTVSCI-JXMROGBWSA-N 449.503 4.505 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1874636842 VAYPNPRUMZHUJJ-BQYQJAHWSA-N 445.943 4.775 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Br)c1OC(=O)C1CC1 1875125040 NTVAMSPMYWCVTE-FARCUNLSSA-N 437.236 4.947 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)cc1 1875135644 APUFCDGUAFBVPI-RUDMXATFSA-N 431.400 4.747 30 10 IJEE C=CCn1c(C(=O)N(CCC)CCC)cc2c(NCCc3ccc(OC)cc3)ncnc21 1875228534 SJGDHWZJUNLDQF-UHFFFAOYSA-N 435.572 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@](C#N)(Nc2ccc(Br)cc2)CC1 1888111961 JUQOPQOOKAUVCC-QGZVFWFLSA-N 430.293 4.790 30 10 IJEE CN(c1ccnc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1 1890866439 ODPHPBZXKYTZCB-UHFFFAOYSA-N 449.370 4.999 30 10 IJEE O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1891852907 SOHUNHXOOFJXLT-JTQLQIEISA-N 436.327 4.588 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)Cc1cc(I)ccc1Cl 1904990203 LANJTKZFGPOPJU-KRWDZBQOSA-N 446.716 4.780 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cc(Cl)cc(Br)c3)cc2)OC1(C)C 1912670925 UMVJOEIXTNQKFL-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)c1ccc(F)cc1Br 1922074611 OTCVXLBQLJTQRH-YADHBBJMSA-N 436.365 4.937 30 10 IJEE C=CCC1(NCc2cc(Br)ccc2OCCC)CN(C(=O)OC(C)(C)C)C1 1922272341 LCTIQMXQTDQKAH-UHFFFAOYSA-N 439.394 4.893 30 10 IJEE C#Cc1ccc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1951407234 OMJRSARKDVVNGF-HXUWFJFHSA-N 425.484 4.765 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NCCCB1OC(C)(C)C(C)(C)O1)C(C)(C)C 1999365758 QKAAUQHQGFSGNP-BEIWTESXSA-N 446.463 4.506 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CN(Cc2ccccc2)C2(CCCC2)C1 2038675371 XTJUVGUBLQWORJ-XTEPFMGCSA-N 434.624 4.687 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 2089289189 NYEBIZCWLVDGIZ-IAGOWNOFSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CC(CCCCNc2ccc(C#N)c(Br)c2F)C1 2106017607 OOGIHZGGWAKBSK-UHFFFAOYSA-N 426.330 4.909 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCNc1cc(Br)c(C#N)cc1F)C(F)(F)F 2106020559 UCCFTWQPEXKAED-CYBMUJFWSA-N 440.235 4.717 30 10 IJEE CC(C)(C)OC(=O)NCc1csc(C(=O)Nc2ccc(C#N)cc2Br)c1 2124699651 QEICBBDAXKJOPM-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)c(Br)c2F)CC12CCC2 2174811872 DGECVFNUKNOSKQ-HNNXBMFYSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCN2c2cc(Br)cc(F)c2C#N)C1 2174814060 CZOQBQXHYVCQLH-LDTOLXSISA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2Br)C[C@@H]1CC(F)(F)F 2176098227 BWTJUTJYCIYMRU-ZDUSSCGKSA-N 448.283 4.699 30 10 IJEE CC[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCCN1C(=O)OC(C)(C)C 2180933340 UFROEFBTHIYWJE-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE C#CCC[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(C(F)(F)F)cc1Br 2232221048 ZTCNJUZDTNXHAG-GFCCVEGCSA-N 437.256 4.548 30 10 IJEE CN(Cc1ccccc1Oc1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2232309841 NWRDPUPOGHNTTD-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE C[C@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1ccccc1NC(=O)OC(C)(C)C 2232315088 BDFJRKOHFMVFKX-INIZCTEOSA-N 440.349 4.868 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC(F)(F)C[C@@H]2CC#N)c1 2233993990 FXAOHXQAJPLOMR-LBPRGKRZSA-N 444.276 4.560 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 2235725255 IVUZMUYONOIDKY-RBUKOAKNSA-N 437.422 4.964 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 2249585714 MPIQKZUCPOYGAG-ROUUACIJSA-N 427.545 4.886 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)c1 2256891500 YAUZNXKJZJCDEW-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(c2c(Br)cccc2C#N)C1 2285221745 ZYKRGSQCXITUHS-AEFFLSMTSA-N 434.378 4.937 30 10 IJEE CN(Cc1ccc([C@H](O)C#Cc2cccc(Br)c2)cc1)C(=O)OC(C)(C)C 2296227444 OSMLSLKZNNOUNH-HXUWFJFHSA-N 430.342 4.901 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2296227814 SKDSVEQLBBRLNS-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296268168 AXLXPQCTOCJVDW-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)C#Cc2ccc(Br)cc2)C12CCCC2 2296290801 HRQFNYHOMXXTMH-OALUTQOASA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)Cc1ccc(NC(=O)OC(C)(C)C)cc1 2296306410 GWQUSZKMVQHATC-HXUWFJFHSA-N 429.358 4.978 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 2314429398 GJSGAUMUWJPNKR-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@]1(C)CC 2315240231 AIQUTULKTUOAFA-UCGXPXSYSA-N 446.632 4.668 30 10 IJEE CCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC12CCC2 2321746987 KSMJLNQXDLQYRT-IAPPQJPRSA-N 430.640 4.683 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(Cc2nc4ccccc4[nH]2)CO3)C1=O 2322192750 BQJHYADKQHJHET-UHFFFAOYSA-N 429.501 4.901 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)c1 2322216645 YTMZZZOBLKXORP-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2322687514 QFRSVZIUHGPUIQ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1Br 2323561712 GPYDFUXOXMJHQN-UHFFFAOYSA-N 446.341 4.567 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2325427018 AURLMGJYEWYVMZ-MRXNPFEDSA-N 431.444 4.813 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2325736252 FYGZWKIPXOHOGM-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3OC)c2)cc1 2325786262 GKIAJWYWWWIDPB-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2326963827 ZBMYODUSVALZDJ-UHFFFAOYSA-N 445.932 4.764 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(C(=O)O)cc2)CC1 2328194947 MEPDYKPECNBXOB-UHFFFAOYSA-N 444.601 4.797 30 10 IJEE C=CCSc1nnc(C2CCC2)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331532137 AJSCXIVPKFTFCF-UHFFFAOYSA-N 448.548 4.934 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)c1 2331717180 BSBNCXARTNJFPZ-UHFFFAOYSA-N 444.564 4.867 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OCC)c(OC)c2)cc1 2332190857 SWLKZACQDCXDIM-UHFFFAOYSA-N 445.523 4.541 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC1(C)C 2336387968 VOOJWJSDYZVIOC-INIZCTEOSA-N 426.330 4.542 30 10 IJEE CC[C@@H](N[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511255 DLXXDCAQIAVXKA-RTWAWAEBSA-N 446.441 4.576 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339586580 HXEXFRSNQBXDTE-UHFFFAOYSA-N 443.397 4.974 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3cccc(Br)c3Cl)C2)OC1(C)C 2342472856 VPODTSHDLVNWEH-SFHVURJKSA-N 428.563 4.801 30 10 IJEE C=CCC1([C@@H](NCC)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2364629936 HBAZOZTXSJBQLQ-SFHVURJKSA-N 439.394 4.922 30 10 IJEE CC#CCCCC[C@H](OCCCN)c1sc(Cl)cc1I 2366692927 WXENNYARFPQMGS-ZDUSSCGKSA-N 425.763 4.996 30 10 IJEE O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cc(Cl)ccc3Cl)o1)[C@H]1C=C[C@@H]2C12CC2 16677431 XSVHTARFIJBVCC-XSUITZFQSA-N 427.287 4.785 30 10 IJEE COc1cc(OC)c(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1Br 33349978 NFMZLFLFMHDDEH-GIJQJNRQSA-N 447.354 4.975 30 10 IJEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(Cc2ccc(F)cc2)CO1 41661251 XHAGUABPLQPUKR-RMORIDSASA-N 431.419 4.523 30 10 IJEE COc1cc(/C=N\N=C2\S/C(=C\c3ccccc3C)C(=O)N2Cc2ccco2)ccc1O 47137457 AESUKNNXBZTMBM-QJTAZGBISA-N 447.516 4.809 30 10 IJEE Cc1cc(C)n(/N=C/c2ccccc2OCc2cccc(Br)c2)c(=O)c1C#N 59833015 BQNRGERBFJXPNB-DHRITJCHSA-N 436.309 4.561 30 10 IJEE CN1/C(=C/C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C(C)(C)c2ccccc21 101759123 FYOOVZFSTUMWGE-BUVRLJJBSA-N 443.524 4.558 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccccc1O 169942659 AMXZMFYWPPIXIB-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3cc(C)ccc3[nH]2)[C@@H]1c1ccccc1 170055845 YRIDCJAFRBSBGA-JOCHJYFZSA-N 439.471 4.663 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccc(O)c2)cc1 170083455 SCYVFXBIYYFFLK-QFIPXVFZSA-N 439.471 4.614 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccco2)c1 170090178 ICGZOAJAXHOZBW-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccco2)cc1 170097120 NFAXDJXDXMHXMH-QFIPXVFZSA-N 435.451 4.904 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccc(O)cc1 170137221 AGSXANNYWSZQAX-LJQANCHMSA-N 441.867 4.789 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170218811 HJOBUJORQUJAIS-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1 170261780 UVEBQNCOCHQIMI-QFIPXVFZSA-N 435.520 4.929 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1ccc(C)o1 170304206 VWPQVVFRLVOQMW-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)c(OC)c1 170308168 SPUMZBANVSRHIU-NRFANRHFSA-N 425.481 4.516 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C)o2)cc1C(C)C 170308413 WLVUDCOTYLXABZ-JOCHJYFZSA-N 441.524 4.725 30 10 IJEE CCCc1c(NC(=O)N2CC3(CCOCC3)c3ccccc32)cnn1-c1cccc(C#N)c1 444066427 SRCITQQQOFZFAU-UHFFFAOYSA-N 441.535 4.797 30 10 IJEE C=CCn1c(SCC(=O)NC2(CC)CCC2)nnc1-c1ccc(Cl)cc1Cl 477327194 DZEUGCADLSGTBO-UHFFFAOYSA-N 425.385 4.979 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(C)nc(-c2ccncc2)n1 481846265 XWTISKYISFMQPA-UHFFFAOYSA-N 430.537 4.663 30 10 IJEE CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1CCN(c2ccccc2F)C1=O 490220887 GWCLXCAHUKTNCC-HSZRJFAPSA-N 444.466 4.759 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 505061450 LQTQHLWMDINMOS-UHFFFAOYSA-N 435.549 4.928 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508914198 RUHAXMBQULYLHL-FIXSFTCYSA-N 440.551 4.510 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 508930475 FCGYEINXHVDTTN-DEOSSOPVSA-N 441.535 4.574 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2ccccc2-c2ccc(Cn3cncn3)cc2)c1 510987048 RAWNHLAPOMWKPC-UHFFFAOYSA-N 439.519 4.880 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)N3CC[C@@](F)(c4cccc(C(F)(F)F)c4)C3)on2)c1 512387259 RYYOPRWZZSYDJX-NRFANRHFSA-N 429.373 4.943 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 608941466 PKIOFXOBHNLCME-SDHOMARFSA-N 427.548 4.546 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 685547010 LYJBGOCGYVRQEA-IZIIKQMZSA-N 447.558 4.564 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2[C@@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 700603623 FVBMPKZPEJWIPF-GFTAFNIFSA-N 441.572 4.961 30 10 IJEE C/C(=C\C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 742606370 JFLAFWDILPXHPY-CECLQJIQSA-N 445.466 4.521 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)OCc2noc(-c3ccccc3O)n2)cc1 783544462 YEWRWWBSWRLZGQ-UHFFFAOYSA-N 431.379 4.602 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)n1 788815186 MBCBAAYUTMTVKF-UHFFFAOYSA-N 447.604 4.714 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)cc1 799218887 IAGRAKLICVCRHA-KRWDZBQOSA-N 446.370 4.738 30 10 IJEE CC(C)C=NNc1nc(SCC(=O)Nc2ccccc2SCc2ccccc2)n[nH]1 1084506819 BDFALXWQLAQCST-UHFFFAOYSA-N 440.598 4.882 30 10 IJEE C=CC[C@@]1(C(=O)N2CCCN(C)c3ccc(Cl)cc32)CCCN1C(=O)OC(C)(C)C 1126486464 ZJOQUEOLWOWTAP-QHCPKHFHSA-N 433.980 4.859 30 10 IJEE C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1128677106 DESDPCUIZKPOAZ-KRWDZBQOSA-N 433.458 4.980 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1179836222 CARXBFMFHSYPIE-NRFANRHFSA-N 426.582 4.538 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 1194551496 IDLUGDOBAOXHHF-YDJSWOFHSA-N 446.433 4.633 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cnn(-c3ccccc3Br)c2)cc1 1202188680 RHURYOCVLRFKMO-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)cc1 1214912152 OEGPUVXBHWNBNS-IBGZPJMESA-N 448.350 4.663 30 10 IJEE CCc1c(NC(=O)NCCc2ccc(C#N)cc2)cnn1-c1ccc(C(F)(F)F)cc1 1216699400 GWEZVWWIVQEHGM-UHFFFAOYSA-N 427.430 4.689 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c(C#N)cn1CC 1219176193 CZNUVBFQVBYEKR-QGZVFWFLSA-N 432.883 4.622 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Oc2cccc(C(C)C)c2)c2ccccc2)c1 1264714753 ZJDHEXCEXLMBEY-SANMLTNESA-N 426.516 4.666 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1266463696 WMPIDSCOEGEXMM-CTNGQTDRSA-N 430.470 4.991 30 10 IJEE N#Cc1cccc(NC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)n1 1277174358 HPHVDDWSPYDRQI-LJQANCHMSA-N 426.245 4.614 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@](C)(C#N)C1 1286314817 HLSWYVQNQSYOQS-NRFANRHFSA-N 444.352 4.780 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(Nc2ccccc2Cl)CC1 1286318972 CLEMRXRMFMRBAJ-UHFFFAOYSA-N 436.991 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1286559449 WPQKOSQTAPZCIU-WXVUKLJWSA-N 435.547 4.582 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1286645751 GPGPWTUGNOQTHM-NRFANRHFSA-N 426.561 4.522 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)COC)CC1 1286650044 VQCNTJBIRZTSHB-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@]2(CC=CCC2)C1 1286690513 LFELRTLNQSEOHG-XMMPIXPASA-N 439.629 4.953 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)C1 1286713998 JXHZJMLCAXQPAE-UHFFFAOYSA-N 434.531 4.593 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)c1nc(C)cs1 1286758414 MNUWXPRNAQJMPC-UZLBHIALSA-N 437.569 4.538 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCC(F)(F)C1 1286759661 FCPVJMTXACMIGA-QGZVFWFLSA-N 449.571 4.664 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)CC1 1291142485 FPFVADQYKMZBBK-HXUWFJFHSA-N 448.640 4.678 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 1293009952 FNWLOGNMYDOOCE-HNNXBMFYSA-N 449.960 4.719 30 10 IJEE C=CC[C@@]1(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1293210508 LQYNIFWUIBCUFE-CVDCTZTESA-N 434.964 4.586 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@@H](F)C1 1300323000 VYIGHRJDUVAWFW-OFQRWUPVSA-N 425.335 4.760 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC[C@@H]1C 1300516368 LXVAXMTZIXNWAA-JKSUJKDBSA-N 445.792 4.870 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@H]1OC 1300602384 QHKBKVKEYDTMMV-IRFCIJBXSA-N 445.007 4.963 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCC1(F)F 1300618578 IUSXWOKZVFZCDL-SFHVURJKSA-N 425.483 4.885 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1CC 1300650547 UTCYFRSEKUPLJT-YADHBBJMSA-N 431.559 4.869 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCC[C@@H](C)C2)CC1 1301074789 KUKABLDDPUIGTG-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CCN(C(C)C)C(C)C)CC1 1301130355 XRFHGXGLUPIPFL-UHFFFAOYSA-N 434.632 4.802 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1301202636 MVBOMQDBCWKBIP-FQEVSTJZSA-N 446.599 4.511 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1301240937 IRKFXSMAOYQCBI-INIZCTEOSA-N 428.886 4.970 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Cl)s1 1301245202 FZALAMXXFDQCHI-UHFFFAOYSA-N 438.384 4.938 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1301245998 LFAPUVYRZGZYMA-QFBILLFUSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1CCOC1 1301365815 ZZBOMTHFAXPZIS-HMXCVIKNSA-N 444.645 4.877 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1)C(C)C 1301367881 VGLOPPLJTMNJEZ-FCHUYYIVSA-N 442.677 4.742 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nc3ccncc3[nH]2)cc1 1305026781 LGGODNPUOHRLQF-IBGZPJMESA-N 435.528 4.813 30 10 IJEE CCCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C1CCN(Cc2ccccc2)CC1 1308153450 HVKOOLTUDCBARF-UHFFFAOYSA-N 446.639 4.927 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 1311482792 PDURQABGBULSQA-LJQANCHMSA-N 427.504 4.511 30 10 IJEE C#CCC1(NC(=O)N[C@H](C)CCc2ccc(I)cc2)CCCCC1 1312628558 HWGGAEKGSMDVHV-MRXNPFEDSA-N 438.353 4.638 30 10 IJEE COc1cccc(COc2cccc(NC(=O)c3cc(C#N)c(SC)nc3O)c2C)c1 1338212746 OFFYQWJWLAPYHX-UHFFFAOYSA-N 435.505 4.529 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1nc(C)sc1C)c1ccc2c(c1)OCO2 1351623397 SVKNVESZQHJBPQ-UHFFFAOYSA-N 436.533 4.829 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 1355160243 IWYMLUZLUNNKLT-UHFFFAOYSA-N 425.351 4.967 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCOc1ccc(OC)cc1 1357803217 GQZGAGNMEHANDL-UHFFFAOYSA-N 436.321 4.971 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1(COC)CCC1 1358988967 KAAZAGKEKUXDPB-UHFFFAOYSA-N 445.394 4.922 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(Cc1ccc(F)cc1)C(C)C 1359059561 RKNXVYPURLZHGX-UHFFFAOYSA-N 443.617 4.554 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1359076636 HUBQMHNNGGYQGE-DNVCBOLYSA-N 433.394 4.841 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccccc1OC)C1CC1 1359153656 NCQPGUUGLMXMGD-UHFFFAOYSA-N 429.977 4.564 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](COC)C1 1359189700 SELHLKPXWZSIMS-KNQAVFIVSA-N 440.588 4.646 30 10 IJEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1359228003 RFNPOGRFQYFWBQ-UHFFFAOYSA-N 438.547 4.783 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C)nc1 1359278825 IEXQRHLCHOZWRF-UHFFFAOYSA-N 437.613 4.666 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1359344984 OYHOTYIBCSQTPZ-IAGOWNOFSA-N 427.643 4.600 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1360934599 FPJDEUCZRJAZRJ-UHFFFAOYSA-N 447.568 4.552 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1ccccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1435175930 OBCGZBZHRIVICS-RDTXWAMCSA-N 448.744 4.855 30 10 IJEE C=CCCCCCCCNC(=O)c1cnn(-c2ccccc2)c1I 1436591251 FDHCRFRMRRPXSD-UHFFFAOYSA-N 437.325 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)Nc2cc(C#N)ccc2NC2CC2)C1 1448352226 FWMJWPUGGDGKTI-UHFFFAOYSA-N 432.524 4.678 30 10 IJEE CC#CCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1450467178 MTXYHNJSNYAJKH-AREMUKBSSA-N 438.527 4.748 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1460090477 PDPGDXZOKOYHGK-JOCHJYFZSA-N 446.636 4.648 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)c1ccc(Br)cc1 1460784225 JKTWIEAVAZTVIC-MSOLQXFVSA-N 433.143 4.732 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1461048557 PPFCWWBBBOHNLC-OWQGQXMQSA-N 443.371 4.609 30 10 IJEE CCN(c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)cc1 1463115075 DZMNPCIGJMVQKH-UHFFFAOYSA-N 425.941 4.848 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)cc1 1465385857 HJEORFGNAQCFLI-JOCHJYFZSA-N 432.524 4.796 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(Cc2ccc(C)cc2)s1)c1ccc(Br)cc1 1465616936 WGIAKSCNZYBTAJ-QGZVFWFLSA-N 441.354 4.696 30 10 IJEE C=CCC[C@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1ccccc1 1468005455 QMIZOAZAJWBRCD-IBGZPJMESA-N 430.346 4.703 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 1468508534 FAMNVNZOZUKDPW-LOSJGSFVSA-N 433.596 4.658 30 10 IJEE N#Cc1ccccc1NC1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2O)CC1 1470614859 DRLIAEQBPKIRNY-UHFFFAOYSA-N 432.911 4.696 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 1473324791 KICRONRSQVKWQX-FQEVSTJZSA-N 447.501 4.778 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccc(Br)cc1 1478895409 CCLSEPFMYLRXKX-VQTJNVASSA-N 443.341 4.687 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNc1ncc(Cl)cc1Cl)C1CC1 1501550034 DVCFAWDGNWKMJK-UHFFFAOYSA-N 442.354 4.619 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)C1 1503328909 DQNYMNLKSZKCCO-OAQYLSRUSA-N 440.661 4.517 30 10 IJEE COC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1503906330 GYBSDYDIOCEIPT-HJPURHCSSA-N 427.618 4.686 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1507569142 CJZDBULANCBSGQ-UHFFFAOYSA-N 444.505 4.598 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(C)Cc2ccccc2C1 1507606949 COUHHHXPNIPHQO-UHFFFAOYSA-N 441.398 4.644 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1507749656 XYUAHRUXZAHKIA-QFIPXVFZSA-N 448.640 4.684 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1507799711 XEVFQJJOITXXCW-FOUBCARRSA-N 439.629 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1C 1507803563 HSLRQUVZHKLYPY-OTPAQWSUSA-N 431.584 4.751 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507827312 HFWWDMHICBJPRW-NQIIRXRSSA-N 439.604 4.823 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C)CCCC)CC1 1507880231 IYDMOMOHKGZIIV-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1507880575 LLWFBBBNQQUMGU-WFXMLNOXSA-N 442.526 4.769 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1507912487 IKICLIQARDXSDG-UHFFFAOYSA-N 430.600 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1507920206 ULWNGDCHYLQPNZ-ROUUACIJSA-N 430.618 4.798 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1507956590 QHCZFNPPYAQFIA-FQEVSTJZSA-N 440.979 4.724 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(CC)CCOCC1 1507974250 FGOVKSNKFLMNNH-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1 1507995680 BMYDCHSHPXVCKD-QHCPKHFHSA-N 449.624 4.751 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CC(=O)NC1CCCCC1 1508002261 CDBLJXQTKJMMFZ-UHFFFAOYSA-N 435.616 4.652 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC(C)C)nc1 1508006520 GLYWIUXZPLSXCD-UHFFFAOYSA-N 434.569 4.758 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc2cnccc2c1 1508155879 SDNVUMMHQDEKAC-UHFFFAOYSA-N 430.581 4.752 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCc1cc(C(F)(F)F)ccn1 1511226004 ICVBJEOGVLPYFB-MRXNPFEDSA-N 428.462 4.648 30 10 IJEE C#CCCOc1ccc(C(=O)Oc2ccc(OC(F)(F)F)c(Br)c2)cc1 1517475610 SCZVRJRODIDREL-UHFFFAOYSA-N 429.188 4.969 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1)c1ccc(C(F)(F)F)cc1 1520114366 TURQXAKPYQOOJL-IEBWSBKVSA-N 446.469 4.891 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)cc1OC 1523562033 CMRKQRQCFFJBQV-NCALTVRCSA-N 446.341 4.619 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C(F)F)c(F)c2)c(C(=O)OCC)c1C 1525887301 FNTRYNZABXWOAE-UHFFFAOYSA-N 441.427 4.905 30 10 IJEE Cc1ccc(Cn2nc(C)c(C(=O)Nc3c(C)c(C#N)nn3-c3ccccc3)c2Cl)cc1 1527261922 BYQBUFOZDGPTME-UHFFFAOYSA-N 444.926 4.820 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 1528005970 DTZZYBLHJJILNQ-QGZVFWFLSA-N 443.341 4.505 30 10 IJEE COc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)c(F)cc1C#N 1534037133 DCNWUCRJKFCSAR-UHFFFAOYSA-N 438.303 4.906 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3ccc(Br)cc3n2CC)c(OC)c1 1535372996 NCLOOYXHAGQUDW-UHFFFAOYSA-N 444.329 4.573 30 10 IJEE C#C[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)cc1 1535483776 RUSXITZVPKSQAR-QGZVFWFLSA-N 429.314 4.745 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc(OC)c1OC 1536922228 OSZOSNCOCNQYBX-NRFANRHFSA-N 425.525 4.554 30 10 IJEE C#Cc1cccc(N(C)C(=O)C[C@H](C)CCc2ccc(I)cc2)c1 1537367200 RVLRRBQWAFBZKS-MRXNPFEDSA-N 431.317 4.894 30 10 IJEE C#CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 1538199654 WWOHWCDIKNWKJQ-IERDGZPVSA-N 442.353 4.622 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(OC(F)(F)F)ccc1Br 1538739356 BWFLCJZBONCXJQ-SNVBAGLBSA-N 429.192 4.625 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CCN(C2CC2)CC1 1539030532 RTOJIBZOMIDRSU-NRFANRHFSA-N 449.643 4.621 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1539049374 MWTFHNFSPUHXAF-HNNXBMFYSA-N 442.361 4.742 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1ccc(F)cc1 1539097127 CWEHCRIPYXDRCM-UHFFFAOYSA-N 430.325 4.615 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539606757 PQYQAQMOVHDULX-HXUWFJFHSA-N 425.415 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CC1(C(=O)N(C)C)CCCC1 1539659641 FVYQRRRKWVPIEJ-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1539662362 SIMGXKFMPBIIFB-DEOSSOPVSA-N 430.600 4.888 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H]1C)c1ccccc1 1539766864 YEEAAWYSANIDOW-RDJZCZTQSA-N 440.389 4.994 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1539767431 URSHLAUIHXOPGZ-UHFFFAOYSA-N 430.943 4.662 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCCCO1 1539785878 FXJHEYJVPUHTNN-AWEZNQCLSA-N 443.748 4.605 30 10 IJEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)O[C@@H](C)c3ccc(C#N)cc3)ccc2Cl)C1 1539790201 DVECUQCGQHXAPT-HOTGVXAUSA-N 446.956 4.550 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1539990272 HPPBNDQBRSRGAO-IBGZPJMESA-N 428.577 4.712 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1540158413 GPWIVAGJDXHGSJ-KRWDZBQOSA-N 430.512 4.879 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCCC2)C1 1541552932 HVWLXDNWZNTXMJ-HSZRJFAPSA-N 434.632 4.955 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 1544269570 XDKSHPZYNFLUFR-UHFFFAOYSA-N 448.364 4.789 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(F)cc(OC(F)F)c2)nnc1-c1ccco1 1545059324 YIKXPZHUBXVTRO-UHFFFAOYSA-N 438.431 4.586 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCCCCC3)n2Cc2nc(C(F)(F)F)cs2)cc1 1555988591 ICADOKJGJIJTKN-UHFFFAOYSA-N 432.475 4.721 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)c2ccccc21 1557761587 CIUOOLVEEVWOAQ-MRXNPFEDSA-N 431.496 4.692 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2cccc(C)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1558371241 ZJAPMAHAYCGCQL-UHFFFAOYSA-N 449.551 4.657 30 10 IJEE C#CCCCCCC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1558890857 CUILSNUIAYEWHK-UHFFFAOYSA-N 440.584 4.761 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 1559518361 SAUZKNLDGBKFRI-ZDUSSCGKSA-N 436.281 4.512 30 10 IJEE Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@H]1C(=O)O[C@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]21 1565537974 FLCVPFHJPVPDPQ-JTXYNESXSA-N 448.607 4.970 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cc(Cl)ccc2OC)[nH]n1 1570722819 DWXCDYMZIGVTAE-MRXNPFEDSA-N 448.951 4.927 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c(OC)c1 1584282945 ZEUVVNPGCVKYDJ-UHFFFAOYSA-N 431.414 4.646 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c1C#N 1586785973 ATBUHTGYJREHSD-OAHLLOKOSA-N 426.973 4.605 30 10 IJEE C=CCC[C@@H](C(=O)OCc1cn(-c2ccccc2Br)nn1)c1ccccc1 1587241201 UVIRWUFCVWKUOI-GOSISDBHSA-N 426.314 4.823 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C1CCN(CCC)CC1 1587749346 DRHXXJRPSHWQEL-UHFFFAOYSA-N 432.616 4.551 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)c1c(C)noc1C 1588194301 SDRMAOPYHJVMNV-KRWDZBQOSA-N 427.508 4.563 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H]1CCO[C@H](C)C1 1588446094 XWVAJENJWXLKHL-YADHBBJMSA-N 438.616 4.954 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC[C@@H]1C 1588580973 BGOZDQRIPFNAMY-RXVVDRJESA-N 449.624 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1589242632 CYPVVYFFQJIDBC-ZDJNHPEVSA-N 449.643 4.668 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 1589503516 DQPWZRJKCINSRF-TZIWHRDSSA-N 445.007 4.833 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C)C1 1593711968 NKQOBEZRIHEYGB-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1594430231 KMAPWVCKDOEZNN-RDGATRHJSA-N 436.600 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 1594460706 ANBNHEODXILXPX-OAQYLSRUSA-N 446.039 4.748 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1594590994 HRWOUKPFBUEGHK-QFIPXVFZSA-N 433.604 4.735 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)c1nccs1 1594608840 XQWCVLSMVKILBL-INIZCTEOSA-N 449.584 4.647 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCCCC1=O 1595009629 JESDTMPZKVEWER-UHFFFAOYSA-N 448.036 4.639 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCOC[C@@H]1C 1595161864 NZJIKDCMIVVQBW-FUHWJXTLSA-N 443.642 4.561 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccccc3OCc3ccccc3)n[nH]2)c1C 1596347053 ZHGROLQMIMYHKO-UHFFFAOYSA-N 441.535 4.585 30 10 IJEE CCc1c(C(=O)N(c2cccc(C#N)c2)C2CCC2)nnn1-c1ccc(OC(C)C)cc1 1617599685 HUIWBAUIAFIVST-UHFFFAOYSA-N 429.524 4.688 30 10 IJEE CO[C@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1619486529 BVCVFVLYOSCHTI-MJGOQNOKSA-N 441.988 4.983 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cccnc1N1CCOCC1)c1ccc(C(F)(F)F)cc1 1622962924 CNAHVDFJPPKNQS-GOSISDBHSA-N 434.462 4.766 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1C#N 1624973345 FASHNLGKNGJHIS-FQEVSTJZSA-N 442.560 4.791 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(C)CCCOC1 1631704444 GTKDYIBCZWDZRP-RPLLCQBOSA-N 448.563 4.545 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccncc1 1631877519 HPXQLEIGGZDANQ-BHIFYINESA-N 442.604 4.910 30 10 IJEE C#C[C@@H](NC(=O)NCCOc1cccc(C(C)(C)C)c1)c1ccc(Br)cc1 1631901950 HNJMCFBSIVIGQY-HXUWFJFHSA-N 429.358 4.799 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)c1 1635281051 CVTFYVSTTABUJP-AZGAKELHSA-N 430.596 4.796 30 10 IJEE C#CCC1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCCC1 1635707723 CBUBVVXILNXWPX-ICFOKQHNSA-N 432.636 4.572 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1OC 1636145713 YEKJBMPRTWQLJA-RQMBKDMJSA-N 435.442 4.532 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)c1ccc(Cl)cc1F 1636571814 VITULTILHCSLTD-SJORKVTESA-N 437.696 4.739 30 10 IJEE C#CCN(C(=O)NC[C@H](OC)C1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 1637282655 LLGCMEWFGALMBK-FPOVZHCZSA-N 449.389 4.513 30 10 IJEE C[C@H]1[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCN1Cc1ccccc1 1638399032 AWMGDCSNUOTJNV-MHECFPHRSA-N 429.495 4.882 30 10 IJEE C#CCN(C)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 1641720677 WKUVOOAOVVUDDS-VZCXRCSSSA-N 441.550 4.936 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)C1 1643855073 UMMDPIWKGVGCIN-GFCCVEGCSA-N 431.792 4.665 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCc3cc(Cl)ccc3C2)cc1 1645263921 FVLVDNHCENCPEP-UHFFFAOYSA-N 448.954 4.625 30 10 IJEE C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 1653791897 ABPCNTAWPKBGPQ-PCCBWWKXSA-N 436.625 4.614 30 10 IJEE C=CCOc1ccc(CNC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1OC 1656626047 MDDSBHIHZNWQCH-XMMPIXPASA-N 428.532 4.747 30 10 IJEE C=CCc1cc(CNCc2c[nH]nc2-c2ccc(Br)s2)cc(OC)c1OC 1657153666 OEZTUZDLLQLJCX-UHFFFAOYSA-N 448.386 4.936 30 10 IJEE C=CCOc1ccccc1CN(CC(=O)NC(=O)NC1CCCC1)c1ccc(C)c(C)c1 1657746005 VEDHIVRHXZXAES-UHFFFAOYSA-N 435.568 4.643 30 10 IJEE Cc1oc(NC(=O)[C@@H](C)N2CCc3c(Br)ccc(Cl)c3C2)c(C#N)c1C 1658129441 DQJVADMNVUONHK-LLVKDONJSA-N 436.737 4.569 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CSc3ccc(Br)cc32)c1 1658958069 CCPVIFYFIPLMKG-CYBMUJFWSA-N 440.269 4.891 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Br)c(F)cc1OC 1662790908 BQKXUUILFBDNNF-UHFFFAOYSA-N 439.329 4.984 30 10 IJEE C=CCCSCCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 1667442542 NQDPJLSGYYTVMD-CALCHBBNSA-N 449.617 4.538 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1667704542 BREFQFCPDZNPGY-MRXNPFEDSA-N 448.445 4.899 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1669079636 XVEQHKQFYRAURL-NRFANRHFSA-N 442.441 4.926 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1671641996 BFOJBBCCZMJKEX-GOSISDBHSA-N 440.503 4.753 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 1671771273 RPQUUKUZJGMYAL-QFIPXVFZSA-N 435.511 4.981 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 1683980000 TUOGFVSIBRUZAT-VWPQPMDRSA-N 437.588 4.568 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1685313280 QKLNMROMLFRHSX-IBGZPJMESA-N 447.523 4.778 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 1685367553 ZTCPAQUFKXLFLI-SGNDLWITSA-N 443.538 4.561 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1685720508 YBMTWMKKLJIYNN-NYVOZVTQSA-N 443.588 4.571 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1C1CCCCC1 1689840434 ZHJPPQIBHPENRW-YLJYHZDGSA-N 443.998 4.993 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)OCC 1690194971 CLBJZLJFTLWRSG-OAQYLSRUSA-N 449.368 4.654 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1690412875 ADFSHHDJUJBNRP-UHFFFAOYSA-N 445.633 4.638 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCSC(F)(F)F)CC1 1690415408 KQBOHYLRGKLGER-UHFFFAOYSA-N 430.471 4.652 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1690424546 RXXWFQRQFSHOCB-NRFANRHFSA-N 429.572 4.537 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1690466862 DCLHQCZCBRDIMI-UHFFFAOYSA-N 428.650 4.767 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OC(C)C)CC1 1690471183 WIVCXSXESPDZRX-UHFFFAOYSA-N 425.577 4.507 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690487687 BMVXBZQLPMTVBB-GOSISDBHSA-N 425.577 4.751 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@@H]1OC 1690533515 LKHODNBPOXKNCK-YOEHRIQHSA-N 425.360 4.601 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1690542438 OTDMSDQFEHLLFW-HXUWFJFHSA-N 443.567 4.788 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690738422 MHQDHUGMQRBJMF-KRWDZBQOSA-N 442.658 4.606 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1691934217 DZRYTTXQYKIEMC-FQEVSTJZSA-N 436.947 4.569 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2C)CCS1 1694500065 BWDWDCDIVJBZIN-RXVVDRJESA-N 439.629 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(OC(C)(C)C)nc1 1705485879 RIKXJDNSJOXBLI-SFHVURJKSA-N 440.551 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCc1ncc(CC)s1 1705670673 FHDSPJUVSQSPLL-JOCHJYFZSA-N 443.979 4.991 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1705747018 CKOJAFAPJRXNPT-OXJNMPFZSA-N 434.943 4.705 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705768210 YJJMRECBZMMPJD-LJQANCHMSA-N 447.461 4.724 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccnc2OCCCC)CC1 1705769713 BLVUKLHUNLXIAT-UHFFFAOYSA-N 435.547 4.787 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CC2CCN(CCC(C)C)CC2)CC1 1705771142 JEIMAKVHNTWENP-UHFFFAOYSA-N 435.660 4.978 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCC1CCN(CC)CC1 1705866167 JGAHMKWZPOMEAL-NRFANRHFSA-N 443.661 4.548 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCCC(C)(C)C2)cc1 1705911058 XFZBBDSRCXNHJX-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2OC(F)(F)F)C1 1705925256 NAJGXJXJVUUCCQ-SFHVURJKSA-N 436.478 4.664 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C 1710402403 BTARKIHEFPACNC-WAOWUJCRSA-N 427.618 4.598 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H]2CCCSC2)cc1 1712878553 HKUHHSIKJNVWHH-INIZCTEOSA-N 435.519 4.739 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1csc(C)n1 1722276775 JALMMBSUYIEGJH-CABCVRRESA-N 429.977 4.537 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722282780 RNRSCTOTXDQLSW-HFTRVMKXSA-N 435.450 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](c1ccco1)N(C)C 1722300187 WZFUSBGPVGNWFP-IFMALSPDSA-N 449.599 4.643 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(CC)C[C@H]1CCCO1 1722314342 KWFOLVWEQPPKCK-OAHLLOKOSA-N 437.407 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1722502210 RTRLEVJVWJAHFU-FDGPYGQJSA-N 442.579 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1722525733 ANKIRJNHGQQSOH-UHFFFAOYSA-N 444.583 4.920 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](c2ccco2)C1 1722530481 FZWNEDLRDXTMHZ-SFHVURJKSA-N 444.482 4.726 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(COC)CCC2)CC1 1722574673 PNQWAKORLNTDOF-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C(C)C)CC1)c1ccccc1 1722596727 MXLRJDIRAYZIQK-QHCPKHFHSA-N 435.641 4.821 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722599423 HUNXJMSKUVYAFZ-YOUFYPILSA-N 428.552 4.775 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC1CCN(CC(F)(F)F)CC1 1722662101 VDCNZFHJWWZJFJ-UHFFFAOYSA-N 441.567 4.930 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)SC)C1 1722716282 YFADZUWQCFPHKV-SFHVURJKSA-N 439.585 4.523 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(CC)CC)CC1 1722733538 DPDVXONMVYBRQG-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCCC1(C)C 1722863139 HYJIOECAGAXTCJ-SAHWJRBASA-N 445.995 4.609 30 10 IJEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)CCO1 1727332642 BDZNPDKGJMSESP-CPJSRVTESA-N 437.588 4.560 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cscc2C)cc1OC 1728844525 GHBQNHNTHBUBFT-MRXNPFEDSA-N 425.558 4.509 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CCCN(C)C(=O)OC(C)(C)C 1740661527 DPHSYQOOJWXPGP-NRFANRHFSA-N 439.604 4.537 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1c1ccco1 1740747875 ZCUATLIGIRSKPP-GOSISDBHSA-N 427.346 4.906 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CC)C1 1740756447 PIKXVGJXSPTOCQ-YYDVJCTNSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740757988 YNTMVBUXNKVLIP-AZUAARDMSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cccs1 1740762376 CXMLYLNNSLDMDX-AUSIDOKSSA-N 438.597 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1CCc1nc(C)c(C)s1 1740777133 NUUSVCKUQPIKTA-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)C2CCCCC2)CC1 1740836184 HWLWRAZELZOSRS-QHCPKHFHSA-N 429.996 4.727 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1740837548 XWJCFJATHAEEJV-QFIPXVFZSA-N 437.613 4.721 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN(C(C)C)C(C)C)CC1 1740841149 IPINAZBMZXQAAV-UHFFFAOYSA-N 439.648 4.995 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(OC)cc2)CC1 1740842659 HQEMGTCCQRQYCU-DHIUTWEWSA-N 438.616 4.850 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740869759 YRJIJUMSFDWWOG-SANMLTNESA-N 438.616 4.983 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCCCC1 1740920295 LQNOWTHOPKAGPQ-JOCHJYFZSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN1CCC 1740921339 QXCRJPJWEYHMMF-OAQYLSRUSA-N 436.579 4.869 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC(CCCO)CC1 1748709489 XHFCAMRWEQWZHH-UHFFFAOYSA-N 445.405 4.500 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCC(F)(F)C1 1748906584 AFJPCOGDXTTWBM-ROUUACIJSA-N 432.515 4.712 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCC[C@@H]1C 1748918005 UATUFHOUYIXCCO-KRWDZBQOSA-N 434.415 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCSCC=C 1749058158 AVPYRQFHFLLZHC-GOSISDBHSA-N 437.432 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CCC)CCc1cccs1 1749132158 ZIIPGGQBDWTNSE-SJBKTWHCSA-N 444.645 4.674 30 10 IJEE C=C(C)COCCn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1749241057 DFLPZKBEPQZMMJ-QFIPXVFZSA-N 438.616 4.592 30 10 IJEE COCC(C)(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N 1749273120 BUXVQIZMXBRCEN-MRXNPFEDSA-N 438.601 4.646 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCCOc2ccc(C)cc2)CC1 1749345637 OZGWWZOEVHXKIJ-UHFFFAOYSA-N 431.584 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1749358188 HHWBMLMNZFWWCX-MRXNPFEDSA-N 425.606 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1749367406 URKXLQKZNQNKCF-UHFFFAOYSA-N 427.637 4.767 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1749424415 IDWRVADKLUJXIH-FQEVSTJZSA-N 433.531 4.853 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](F)(C#N)C1 1749445712 WDUVVNSKHIJFBC-NRFANRHFSA-N 445.951 4.848 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N1CCC(C)CC1 1749473447 IIOCCSIPXQAHGJ-HNNXBMFYSA-N 438.439 4.512 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1CCc1ccc(OCC(F)(F)F)nc1)C1CC1 1749516554 BKOSRAQSEZKRBF-UHFFFAOYSA-N 435.494 4.669 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1Cc1nccc(C(F)F)n1 1749547309 OBANPFGSXKEFQR-UHFFFAOYSA-N 428.462 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCSC1 1749553473 QQDQIOQMDPVTOF-INIZCTEOSA-N 431.656 4.641 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCOC1 1749587162 KCCJMKFJDGYEEQ-MRXNPFEDSA-N 430.911 4.602 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1CCSC(F)(F)F 1751260897 CAWBEBDFZYMUHW-CYBMUJFWSA-N 443.470 4.550 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCc1cnccn1 1760132851 UIGRSNZCYMYWQV-UHFFFAOYSA-N 429.355 4.524 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N(C)C[C@@H]1CC=CCC1 1760310617 KQQZBCJGVILMKM-GOSISDBHSA-N 431.378 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cccc(OC(F)F)c2)nnc1C(C)(C)C 1760327411 GWQGOOMLOHWXKJ-HKUYNNGSSA-N 434.531 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1760328437 VRAVVIGLHLYBMB-BWAGFHJFSA-N 446.542 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1cccc(Br)c1 1760335591 OSAWHSUSIWLPLF-PKOBYXMFSA-N 431.378 4.536 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1760352245 STPDXANQFUOMRI-AUSIDOKSSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(C)(F)F)c2)CC1 1760383387 ONJWIKLCRIYBSZ-XMMPIXPASA-N 446.542 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760408785 RQWMEMWWOWGFPM-SFTDATJTSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1760409552 YNUQMYXWTVNRAG-UHFFFAOYSA-N 447.612 4.511 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1760410028 RAVBTOIEHVOORQ-IBGZPJMESA-N 434.563 4.797 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)CC)C1)c1ccccc1 1760418406 RVNADAPYXSLWTB-FGZHOGPDSA-N 447.583 4.701 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC(C)(C)C(F)(F)F 1760479656 WKYGJXZXTZHFRP-UHFFFAOYSA-N 440.473 4.993 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1760481793 HURWFILWZSBFCL-DHIUTWEWSA-N 444.627 4.901 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1C[C@@](C)(O)c1ccccc1Cl 1760499669 GDEIILPADBFNHF-HSZRJFAPSA-N 426.948 4.545 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCCC3)nnc2N(C)C2CCN(CCC)CC2)cc1 1760529728 KFNGFPRKZHLQLB-UHFFFAOYSA-N 437.632 4.859 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1 1766306990 GCEKHLDFIBLFTL-GOSISDBHSA-N 442.523 4.839 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccccc3)cs2)nc1C 1860796009 YUMDQCOTTHCVHW-UHFFFAOYSA-N 431.564 4.649 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cccn(CCC)c1=O 1861278598 HXCKHXKMWWQKQN-JOCHJYFZSA-N 433.637 4.804 30 10 IJEE C=CCNC(=O)[C@H](CCCC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 1861442796 XGKFCYKJLJLTGG-QFIPXVFZSA-N 432.568 4.944 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1862204612 HTJDUAGMTGNBCG-XUZZJYLKSA-N 434.580 4.505 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1OC 1862439982 RFDJATDOQABTDI-NRFANRHFSA-N 443.927 4.982 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478814 REEUPIHGIDVZNP-HSZRJFAPSA-N 441.483 4.514 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)cc2Cl)c1 1862498781 QKYVOGNNHDODNO-DJJJIMSYSA-N 434.319 4.569 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@@H]2c2cccc(C)c2)cc1 1862533683 NUMZGFXZQMTBOE-XMMPIXPASA-N 434.580 4.868 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2Br)=C(c2cccc3ccccc23)C1=O 1863229627 RUJFYLYKHWTZAZ-UHFFFAOYSA-N 433.305 4.980 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870140573 YNAIGWACOGWWMR-UHFFFAOYSA-N 429.446 4.703 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)CC)cn1CCCCCCCC 1870527663 GOBYQCOHTJSSKT-QFIPXVFZSA-N 445.648 4.676 30 10 IJEE C=CCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1CN1CCCCCC1 1870588437 IQKPQYDTNCSDJB-UHFFFAOYSA-N 444.959 4.509 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CN(C)Cc1ccccc1 1870595037 DKWLILJUJQSIQJ-UHFFFAOYSA-N 448.563 4.523 30 10 IJEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1870790431 YXSPNDAJNYOISF-UHFFFAOYSA-N 436.980 4.854 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3nc5ccccc5[nH]3)CO4)C2=O)cc1 1871349062 OHLNXAOBDMMKLE-OYKKKHCWSA-N 437.499 4.882 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871432892 QOJHTSDDYOKXAW-MXAYSNPKSA-N 427.456 4.831 30 10 IJEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871536116 DPDHXHDYWDSTNU-UHFFFAOYSA-N 442.608 4.587 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1)S(=O)(=O)C1CC1 1872507391 VYTXJUWKUDGJCB-OAQYLSRUSA-N 432.973 4.699 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872548637 NJEHOOORZJJXAE-JTSKRJEESA-N 432.561 4.673 30 10 IJEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872766182 DCZGDRVPWOGANG-SEJWUHKESA-N 426.444 4.995 30 10 IJEE C=CCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccccc2Br)C1=O 1873253977 XBBFQPOTKWSHPF-UHFFFAOYSA-N 433.305 4.980 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1ccc(C)cc1 1873504682 HLMXBIQWCBFXDS-PGLVWIQMSA-N 438.553 4.587 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)cnc2c1 1873868909 WOPGRADXZVEKBF-UHFFFAOYSA-N 434.377 4.528 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874236552 OKPKVFRURVUMIC-MFKUBSTISA-N 433.537 4.897 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874303871 VWBFPPDEJGELIU-YZSQISJMSA-N 429.549 4.837 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc[nH]1 1874367488 FDTFTLKKIMDYQX-ZVHZXABRSA-N 444.992 4.550 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1O 1874450177 VMZZWIDJKYASOG-FDCKDHBTSA-N 446.532 4.869 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccn2C)c(C)c1 1874457931 ONNPFNYMTLDHPZ-ZVHZXABRSA-N 436.585 4.504 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)cc1 1874517785 LCQPNNJMMLXELD-ZMOGYAJESA-N 439.972 4.984 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874524501 QTHVAQGLZFGRPC-DHRITJCHSA-N 446.580 4.562 30 10 IJEE COCCOCC(=O)Oc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 1874693326 ZMICVEAQAKRKHJ-RIYZIHGNSA-N 446.499 4.827 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)CCCSC 1875085020 LJJWEMUETOLRSS-MDZDMXLPSA-N 445.493 4.557 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1C 1875108459 PYLXVQBBYWULHV-DHZHZOJOSA-N 447.443 4.792 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)C2)c1 1891514664 YKFOZVOXSCRWFS-IBGZPJMESA-N 431.467 4.816 30 10 IJEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1900214367 MLRCFYMLDWZNKP-RTBURBONSA-N 435.487 4.858 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN2Cc2ccc(Br)cc2C#N)C1 1962844959 UJQRNLZVJDSBJO-NRFANRHFSA-N 434.378 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 1991565809 XSJFYMOSGMQEFO-FQEVSTJZSA-N 429.508 4.705 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 1997658444 DBCBJQVXIKFKNO-FGZHOGPDSA-N 432.605 4.542 30 10 IJEE CC1([C@@H]2CSC(=Nc3ccc(Br)c(I)c3)N2)CC1 2033114473 MIMGJVKINOSVMO-NSHDSACASA-N 437.144 4.546 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CCC12CCC2 2057365609 ITNGVXYUEKWLQP-KOSHJBKYSA-N 449.592 4.618 30 10 IJEE C#CCN(C[C@H](Cc1cc(Br)ccc1Cl)NCCC)C(=O)OC(C)(C)C 2110501228 QIRRJTQGYJTLKK-KRWDZBQOSA-N 443.813 4.884 30 10 IJEE CC1(C)CC[C@H](Nc2cc(Br)cnc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2167613861 OFLSTFHCGGVDFH-HIFRSBDPSA-N 437.382 4.847 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@H]2CCCC[C@H]21 2174814690 KKTZORQQAKEFLG-DLBZAZTESA-N 438.341 4.828 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 2181054497 XXFBEOYOPZKQKH-INIZCTEOSA-N 438.366 4.931 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1cnc(NC(=O)OC(C)(C)C)s1 2227494574 ZXUGKAFFGJBNRM-HNNXBMFYSA-N 436.375 4.955 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2235745625 DPRXQOOYGBGCGL-GUDVDZBRSA-N 435.406 4.718 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428596 PFTOVOCXXLQCCL-UXHICEINSA-N 435.406 4.667 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1sc(Cl)cc1Br 2250729679 PAOQQJCSGMJHKQ-IAGOWNOFSA-N 430.795 4.949 30 10 IJEE CCN[C@@H](C#CC1CCCCC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2260993785 ZZVQGVXZUAAIRV-IGKIAQTJSA-N 439.644 4.718 30 10 IJEE C=CCCC1(C(=O)Nc2nc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2266276095 HQOVVBUVMNGPSG-UHFFFAOYSA-N 444.757 4.639 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2ccc(NC(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)cc21 2267096913 LVDSSVTVTNWBCM-ROUUACIJSA-N 442.365 4.795 30 10 IJEE C=CCCC1([C@@H](N)Cc2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2281037647 LHEPQKZICNIBAZ-HNNXBMFYSA-N 445.348 4.800 30 10 IJEE CC1(C)C[C@@](C#Cc2ccc(Br)cc2)(OCCN)[C@H]1OCc1ccccc1 2296222099 OWXSTNPETSIOQJ-JTHBVZDNSA-N 428.370 4.530 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]1C 2296295434 CWIDHFNKIBLVNY-ZWDAVXSWSA-N 435.406 4.720 30 10 IJEE CCOc1ccc(C=C2SC(=Nc3ccc(C(=O)O)cc3)N(CC)C2=O)cc1OCC 2296425886 NFIHLFPFUHWHEZ-UHFFFAOYSA-N 440.521 4.806 30 10 IJEE COc1ccc2c(c1)N(C)C(=C1SC(=Nc3cccc4ncccc34)N(C)C1=O)S2 2297550070 OINHRKULVZOCGK-UHFFFAOYSA-N 434.546 4.847 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@H]3CC[C@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2301449610 SQRMVSFDXNIADB-LEWJYISDSA-N 449.360 4.596 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 2314478050 PLUCEJJVVPRXPM-FQEVSTJZSA-N 432.303 4.618 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2CC(C)C)cc1C 2321898935 RDRIRQUELWBMCG-UHFFFAOYSA-N 446.580 4.817 30 10 IJEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1 2321958815 VHMITOSHCYYKTR-ZDUSSCGKSA-N 432.303 4.941 30 10 IJEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3cccnc3)C4=O)oc12 2322860187 DXUGSYWWRZTKET-UHFFFAOYSA-N 427.412 4.980 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)NC1CCCCC1 2323896770 UHYMMEDNEXFBCE-UHFFFAOYSA-N 437.536 4.736 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)c1 2323921579 BSTRTAOISGIYAH-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCC(=O)OCCC 2324010010 HUGCYIZLNNLOKG-UHFFFAOYSA-N 438.520 4.969 30 10 IJEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OCCO 2324353998 SUKOWXUYHGCTIK-UHFFFAOYSA-N 433.342 4.959 30 10 IJEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2324606090 VUOVGQJHVGUUHV-LJQANCHMSA-N 432.501 4.870 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2324625742 GAADDQZVAWUIML-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)c1 2325384802 PKCLZJIKNQGHPV-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1ccc(Br)cc1 2325725263 YSLDDGMGOSNXJU-UHFFFAOYSA-N 440.249 4.676 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325731180 DENWSNMYDHLWGA-UHFFFAOYSA-N 427.456 4.885 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1c[nH]c2ccccc12 2326684251 OKPKVFRURVUMIC-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 2331021330 LZGQTXZGLOACCE-UHFFFAOYSA-N 448.596 4.615 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(Nc2cc(Br)cc(F)c2C#N)C1 2336516062 GZBSNIJCLQTZTA-INIZCTEOSA-N 434.256 4.516 30 10 IJEE C[C@@H]1C[C@@H](N(C)c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339539388 HALDFGANKZMRSY-NFBKMPQASA-N 433.405 4.825 30 10 IJEE CC[C@H](NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845220 ZBNQTLZXLOSVNA-QQSVUBKYSA-N 448.460 4.795 30 10 IJEE CCCC#CC[C@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366648712 UMXIQWLFHIYXAN-GXTWGEPZSA-N 425.763 4.601 30 10 IJEE CC(=NO)c1cccc(OCc2ccc(I)c(Br)c2)c1 2377320255 BQMPWOWPPZOKSC-UHFFFAOYSA-N 446.082 4.831 30 10 IJEE COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)c(Br)c2)c1 20881739 PVDWQCULFRPSBR-SJLPKXTDSA-N 440.337 4.770 30 10 IJEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc([N+](=O)[O-])c2)cc1 21222210 JSNVAHXSVBFLRI-NQIIRXRSSA-N 434.492 4.634 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(SC)cc2)cc1OC 21256781 BEKXMDZMYDQKBZ-MJGOQNOKSA-N 437.561 4.820 30 10 IJEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OCC 21725608 YOBVABCLCUHUJH-INIZCTEOSA-N 446.532 4.920 30 10 IJEE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)/C1=N/Nc1c(C)cc(C)cc1C 27497338 YBWPMGXTTAKMJV-LKUDQCMESA-N 448.508 4.834 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)s1 35568498 FODCKDZAKJPKRE-AZUAARDMSA-N 440.565 4.641 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N/c1cccnc1Cl 39863919 ZALWNNMSJJMJCI-QACXOHACSA-N 429.929 4.932 30 10 IJEE O=C1N/C(=N\N=C\c2ccccc2OCc2ccccc2)S[C@@H]1Cc1ccc(F)cc1 39888260 LENVWCSPGJVBEM-QVGKIPNLSA-N 433.508 4.569 30 10 IJEE C=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)cc1 66108080 FEWOBEGKSRAMKN-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE C/C(=N/OC1=C/C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O)c1ccccc1 100999612 PBYHZTBIBPTECE-RQYJBVMLSA-N 444.512 4.694 30 10 IJEE COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1OCc1ccc(C)cc1 169902995 FFMRNFNGBNNLEB-ZVHZXABRSA-N 444.940 4.548 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2O)c1 169931972 MUCYNSMIKRATMV-HSZRJFAPSA-N 441.439 4.930 30 10 IJEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 169937050 DQWYIMLQIZFYGL-FQEVSTJZSA-N 445.382 4.752 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)c1 169937521 HJGAHEUKRYNHJB-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971426 TYUWXCLGNZWCMS-QHCPKHFHSA-N 447.437 4.991 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)c1 169982084 AXDUQBKHKOFQIC-QFIPXVFZSA-N 448.544 4.996 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)c1 170063454 SEYQAMIZWXUPHU-QHCPKHFHSA-N 442.446 4.879 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)cc1OC 170091829 VAOUBBBSSDCPMN-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(C)o2)cc1 170101603 PGOUZWYKBNMSTO-IBGZPJMESA-N 438.505 4.843 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)c1 170176130 DXYFAPPWGAOQMB-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170178124 SWZKTEFXDAEARL-HXUWFJFHSA-N 434.835 4.853 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccccn1 170180430 ILBLGWSHPSYYAP-KRWDZBQOSA-N 435.307 4.775 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)cc1C 170199387 FWGUANNSLGNVLM-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(O)c(Cl)c1 170220028 NIHWOYACJIKHHW-LJQANCHMSA-N 429.900 4.659 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc2ccccc12 170220858 PKYYNOXLDUYKMH-QHCPKHFHSA-N 429.472 4.947 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 170233350 NSOBPTGIXKVXRG-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(F)cc2)cc1 170239854 RXRXJCBBKHMDRG-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(C)[nH]c2ccccc12 170311522 HTFNIJKGSGYLDN-DEOSSOPVSA-N 444.531 4.580 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1Cl 170339367 ISFHEWVNXFSFAI-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)c(Cl)c1)c1ccncc1 170369018 IEULHGLPHCNCTK-IBGZPJMESA-N 441.270 4.877 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1O 170409195 NXVSJTCCSANOOJ-IBGZPJMESA-N 441.892 4.899 30 10 IJEE Cc1ccc(OCCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1 170536932 DZIDKENDMSTUAJ-UHFFFAOYSA-N 425.492 4.707 30 10 IJEE C=CCn1c(SCc2nnc(C(F)(F)F)o2)nnc1C12CC3CC(CC(C3)C1)C2 253578485 YKKDOCQOHHMZBT-UHFFFAOYSA-N 425.480 4.626 30 10 IJEE CSc1nnc(C)n1N=Cc1ccc(COc2ccc(Br)cc2Cl)o1 254816054 AOLQRNNNJCKCST-UHFFFAOYSA-N 441.738 4.779 30 10 IJEE O=[N+]([O-])c1ccccc1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 254902420 PDDAQUCRDFXANJ-UHFFFAOYSA-N 426.440 4.713 30 10 IJEE CCN[C@H](C#Cc1ccccc1)c1cc(Br)ccc1I 313559918 GVKOWRMLFWMSMU-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 410367325 TXDZUUDLWJFYRC-GOSISDBHSA-N 428.479 4.898 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC2)cc1 466983096 DFDRWUVQZYZWBH-UHFFFAOYSA-N 437.587 4.694 30 10 IJEE C=CCCCNC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 468371707 KNTHLEHWWSTJKM-UHFFFAOYSA-N 427.595 4.898 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])o2)cc1 526515816 MECBIVKWDXLCNQ-QFIPXVFZSA-N 445.431 4.905 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(OC)c(OC)cc1OC 526802127 CWMDHGOSRFGVCN-CFRMEGHHSA-N 444.532 4.570 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C 553237610 DOUFKZXYAOHEBG-UHFFFAOYSA-N 426.545 4.926 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C2CCOCC2)CC1 554630481 QVSSZMMSSWGHRN-KRWDZBQOSA-N 430.980 4.901 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 558294435 ATCLNRLRTPCAHX-UHFFFAOYSA-N 432.826 4.977 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N(C)c3ccccc3)CC2)c1 585858734 FWYYBUACWGGCKS-UHFFFAOYSA-N 434.584 4.975 30 10 IJEE CC1(C)OB(c2ccc(Cl)cc2NC(=O)c2ccsc2Br)OC1(C)C 699101263 ONVAEMIWVVJPGU-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1 733804140 YGMCHQWPGBZITK-KXBFYZLASA-N 430.346 4.560 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@]3(C)CCCN3C(=O)c3ccccc3)n2)cc1 735209262 XPGLTWFLLLHAJU-NLFFAJNJSA-N 445.544 4.690 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741183301 GJLVWBAEONUIDU-ROUUACIJSA-N 425.410 4.824 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CNC2(c3nc(C)cs3)CCC2)c1=S 764114961 ZZMTYWQJNMKTMI-UHFFFAOYSA-N 427.599 4.667 30 10 IJEE C#C[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 774264072 MCRNDGPEQYXOIG-KBXCAEBGSA-N 445.466 4.687 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1cc2ccccc2o1 802550697 FVPZJIBTHZQKOL-UHFFFAOYSA-N 445.523 4.663 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)sc1Br 804457319 SKIKWCOLKFICPP-GFCCVEGCSA-N 427.161 4.638 30 10 IJEE COC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 1076386068 GMZMLOLHVDAHTM-YKKMPQLRSA-N 434.495 4.620 30 10 IJEE CSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)/C=C/c2ccccc2)n1 1083900030 BYDZRBNNLGFNMN-GWLWHQBFSA-N 438.582 4.759 30 10 IJEE CCCCSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCCC2)n1 1083924699 VEXBOEVNCPJWQM-UHFFFAOYSA-N 438.605 4.627 30 10 IJEE Cc1c(N=Cc2cc([N+](=O)[O-])ccc2N2CC[C@H](C)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C 1084641148 BEVZORAWSZHCSW-ROUUACIJSA-N 447.539 4.768 30 10 IJEE C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)N1Cc2ccccc2C1=O 1125341467 AMMNLSFYIPIBCE-OAHLLOKOSA-N 431.879 4.987 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(Cl)cc1 1129602052 IOEQPSHCPGGDLV-OXQOHEQNSA-N 449.765 4.990 30 10 IJEE CCN(CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 1142366129 ADJOGNSLCKKTGC-IERDGZPVSA-N 433.474 4.544 30 10 IJEE C=CC[C@@H]1N(C(=O)CCC(=O)c2ccc(I)cc2)CCCC1(C)C 1156192046 WBHWMPPZNXEQMA-SFHVURJKSA-N 439.337 4.847 30 10 IJEE C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1161860875 DBABYAKJNDBOFY-MRXNPFEDSA-N 439.353 4.936 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1163598252 JFCPWPORNOFFRR-HZPDHXFCSA-N 437.590 4.557 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@H]2C3)c1 1180059888 LVMQSJBJDRBFFG-UWJYYQICSA-N 444.984 4.736 30 10 IJEE C=CCNC(=O)CNCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 1201694857 WKWXLQOSYRQQPX-UHFFFAOYSA-N 444.156 4.940 30 10 IJEE C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C 1218288025 GUNMDRCCUNVWPN-SJLPKXTDSA-N 444.576 4.750 30 10 IJEE C=C[C@H](COC)NC(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(C)cc1 1235204350 ODOUTZBXSDXYKI-GOSISDBHSA-N 433.346 4.892 30 10 IJEE C=CC[C@@H]1N(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CCCC1(C)C 1248377414 LNLKJBIFHSWHSL-PMACEKPBSA-N 449.636 4.569 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1 1265189336 PHSVFMWRZKMQSD-UHFFFAOYSA-N 428.311 4.622 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C1CC1)[C@@H](C)c1ccccc1 1272029528 FEJNERDDLHEGAM-HNNXBMFYSA-N 443.341 4.850 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(OC2CCCC2)c1 1286436863 YREODMFBXIGFLB-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@](C)(O)c1cccs1 1286519192 SYYQGFLXEFJXDL-AMDXRBSFSA-N 434.609 4.781 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(OC(F)F)c1 1286556376 CIXWGTXSGBQDSL-WIYYLYMNSA-N 434.531 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1286556392 CKPMDQCRRLATDN-KXBFYZLASA-N 426.458 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)C(=O)OC(C)(C)C 1286569328 MQHFOFSROOFHRW-UHFFFAOYSA-N 448.999 4.653 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1286600216 KBAPSCMROMXPSA-OXJNMPFZSA-N 436.959 4.755 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccccc1F 1286635426 RTJKYVPMSDOZJL-LRDDRELGSA-N 438.841 4.830 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286718310 FMZMBIMCNJEUCQ-UHFFFAOYSA-N 437.544 4.713 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)[C@H](C)CC)C1CC1 1286734727 FYYHISDGFVKFSJ-QVKFZJNVSA-N 433.394 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)nn(C)c1C 1286743356 FBOXAADOUYAPGJ-UHFFFAOYSA-N 447.974 4.585 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCN1CCCC[C@@H]1CC 1286749235 NTZOLUSJGZNESA-SFTDATJTSA-N 443.661 4.691 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286772024 GVIQAWZOBYJOCZ-ZWKOTPCHSA-N 433.394 4.842 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](c1ccc(C)cc1)c1cccnc1 1293101487 LRYOEOGUVSPXRL-XZOQPEGZSA-N 435.568 4.635 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(OC)c1 1294239285 OBPGOFNIFWUCLE-HNNXBMFYSA-N 427.339 4.646 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 1294876423 FAPBEVPHDSWIDT-UHFFFAOYSA-N 431.414 4.608 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21 1297703771 WZJFKVRLPJLDSG-FQEVSTJZSA-N 437.565 4.997 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1300770304 SHEIVCFOCPTBBM-ACIOBRDBSA-N 438.641 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCc1ccc(Br)cc1 1300907924 VFFJAZVGYRKFHZ-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)c2nc(C)cs2)CC1 1301095529 IUUOGOCIBFKNCK-MRXNPFEDSA-N 427.549 4.721 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCO[C@H](C)c2ccccc2)CC1 1301129400 QRIUBGUUHRVDOY-OAQYLSRUSA-N 431.584 4.834 30 10 IJEE C=CC[C@@H](Cn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1301167789 GJLKGWFBFZARJF-NRFANRHFSA-N 444.627 4.959 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1OC 1308265684 DWHKMNFLRAIYEF-INIZCTEOSA-N 438.902 4.883 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1OCC 1308531876 CLHQGILGILBKBH-CTNGQTDRSA-N 432.358 4.551 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(F)c(F)c1 1311610907 ALRRSMYTVCIJNS-LNPFQXMTSA-N 447.501 4.834 30 10 IJEE COc1cc(Cn2c(CC(C)(C)C)nnc2N(CCC#N)CC2CC2)c2ccccc2n1 1315315589 IDXIDDGVVQQBDH-UHFFFAOYSA-N 432.572 4.602 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1csc(-c2ccc(F)c(F)c2)n1 1352520114 HWRCQOHEZAYAFW-UHFFFAOYSA-N 445.443 4.831 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)c(C(=O)OCC)c1C 1355010313 WKVCCMHVAXBJGM-NSHDSACASA-N 437.464 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[C@@H]1CCCCO1 1358880010 CJYAAAWCAJBNOB-CTNGQTDRSA-N 440.588 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358990288 IRBGZRNPDBQUDD-HKUYNNGSSA-N 432.465 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1sccc1Br 1359068893 SAXJLJGNDOCYIR-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCSCC(C)C 1359073274 JSWBLFDDRBQMJQ-XMMPIXPASA-N 426.630 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCC1 1359107082 BWELPKBQFDGZLY-OAQYLSRUSA-N 425.621 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1Cc1nc(C)c(C)s1 1359116283 FXCOXBQQLQCGDU-UHFFFAOYSA-N 425.602 4.944 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2cccc(F)c2)C1 1359118095 OKVMDPQUNORFSE-INIZCTEOSA-N 444.352 4.755 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)c2nccs2)CC1 1359160378 SJTXEOMTDDFMAF-SJORKVTESA-N 427.549 4.974 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCC(C)CC2)CC1 1359168309 OUZRXMNFZODMGU-UHFFFAOYSA-N 444.023 4.789 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cccs2)CC1 1359216686 BKYGDKRKOZTZMX-UHFFFAOYSA-N 429.540 4.501 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCSC(C)(C)C1 1359222319 FPBJBWBPAWMSRY-UHFFFAOYSA-N 437.613 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCSC1(C)C 1359264098 UMTGQQXBMUBIEW-ZWKOTPCHSA-N 432.659 4.958 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCc1ccc(Br)s1 1359269555 FWJNLWJPHIGHDB-UHFFFAOYSA-N 432.391 4.529 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)c1ccccc1 1454298302 KUPPBBJMGFLVGF-PXNSSMCTSA-N 443.385 4.956 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C)nc(C)n2)nnc1-c1ccc(Cl)cc1Cl 1462158013 RAZYBROPIDHBKB-UHFFFAOYSA-N 449.367 4.576 30 10 IJEE O=C(NCCc1cc(C(F)(F)F)ccn1)Nc1ccc(F)cc1OCCC(F)(F)F 1466307977 CFKXGVPMRPLJAX-UHFFFAOYSA-N 439.331 4.935 30 10 IJEE C[C@H](CN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCCC1 1473705686 DZRYLKMZVPHROZ-TZIWHRDSSA-N 440.632 4.504 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 1476224176 VCQWOPPVJNQBAK-HHHXNRCGSA-N 444.506 4.706 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)C2=O)cc1 1477824760 CGOHVSFYLMVHHW-VXKWHMMOSA-N 436.943 4.548 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1 1477907997 VUTBICSNUANUPT-PMACEKPBSA-N 435.877 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C 1478553115 UCDSZCRVLAQQMO-LSTHTHJFSA-N 429.561 4.542 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(SC)c1 1505227992 FSFKHUPRLOKHNR-INIZCTEOSA-N 438.626 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)c(OC)c1 1507522062 TVIATOLYFUYXJQ-AEFFLSMTSA-N 434.609 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1C1CCCCC1 1507529797 RELZGHFZMNSNAG-PGRDOPGGSA-N 426.008 4.854 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCC1(F)F 1507665043 SNQXRZMMTLAKAA-QGZVFWFLSA-N 446.929 4.896 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1507680918 LOSNIUXVMRMZNR-RXVVDRJESA-N 431.378 4.515 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CC(OC(C)(C)C)C1 1507700224 QSMKJPWJULMHJF-TZWRJOPASA-N 430.637 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N(CC)CC 1507763396 BWOOQEGSXOOHSJ-LIXHSBQKSA-N 437.632 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCCCC1 1507766277 YYTBHRKLYPUMPB-YIXXDRMTSA-N 449.643 4.903 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(C)(F)F)c2)CC1 1507894366 BPBPUDBTDICIJN-UHFFFAOYSA-N 445.558 4.759 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1507909691 OTANUFUEYLXYNQ-PKTZIBPZSA-N 440.588 4.707 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1Cc1cccs1 1507920483 LYCLUZRIEYSZFZ-ZVDOUQERSA-N 444.645 4.877 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)(C#N)CC1 1507951197 CHXCSVSBXLEJLE-UHFFFAOYSA-N 444.377 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC1(C)C 1508010844 GCAHLZAFOBHRHL-MRXNPFEDSA-N 441.626 4.570 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCc1scnc1C 1508026144 SUQJKXHUKHLEOM-UHFFFAOYSA-N 444.564 4.653 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCCC1 1508032370 FGQDHZQUWOYOOU-JOCHJYFZSA-N 441.620 4.612 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)CCO1 1509974110 GWCZQXXQBJSSDR-XMSQKQJNSA-N 435.597 4.618 30 10 IJEE Cc1ccc(Cn2c(C3CCC3)nnc2N2CCC(CC#N)CC2)c(OCC(F)(F)F)c1 1510882766 AQZFSRRMXGILQB-UHFFFAOYSA-N 447.505 4.974 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3nc(SC)sc3c2)CCCN1C(=O)OC(C)(C)C 1523655882 JNSIFXQEHZSTTD-OAQYLSRUSA-N 431.583 4.750 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1nnc(-c2ccccc2)o1 1528000969 NLLVVCLKAWQTPK-UHFFFAOYSA-N 428.286 4.635 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CCN(CCC)CC1 1539153387 CFGDOUHYRGSCPW-UHFFFAOYSA-N 444.627 4.544 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)Oc1ccccc1 1539351183 OMZFEGSUUPPDBU-OAHLLOKOSA-N 445.386 4.696 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC1CCC(OC)CC1 1539389742 BQIUFGFATFZURZ-UHFFFAOYSA-N 447.558 4.633 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1539498480 WYBXFSLERVQLJU-ICSRJNTNSA-N 434.613 4.717 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccc(C)o1 1539504703 MHOSTKJZSQPPLK-UHFFFAOYSA-N 430.961 4.511 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1539597167 TYTMNYHQXVNXQL-KBPBESRZSA-N 441.320 4.556 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N(Cc1ccco1)C(C)C 1539599853 GPNABRWMCPTGLJ-UHFFFAOYSA-N 433.325 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1539635481 GUVNUTWJMLTNLW-OFVILXPXSA-N 449.574 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCSC 1539659151 LMZBSKYWPCPGCX-UHFFFAOYSA-N 439.423 4.872 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCc1ccccn1 1539693671 TXQPNTPJRDPODD-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN(C(C)C)C(C)C)CC1 1539891596 GCHVRKBLSYWEFN-UHFFFAOYSA-N 431.575 4.668 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539989957 BSGBTJSCWLDLMU-NRFANRHFSA-N 428.577 4.570 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1N(C)CCCC1(C)C 1540047037 DISLUIVETRHUSL-IRLDBZIGSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCOC1 1540147465 MJPZAHLHIGPKFS-CEWLAPEOSA-N 444.645 4.877 30 10 IJEE C#CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)C[C@@H](C)C2 1540364335 JYALRYUSADWWJD-FDCFBWIESA-N 426.516 4.738 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1540855896 FCGBUEKPULYDMI-FGZHOGPDSA-N 440.588 4.711 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC2CCOCC2)C1 1541987543 AWMCMZJJCBTFIL-HSZRJFAPSA-N 427.980 4.935 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CCCC1(C)C 1542578680 HPIVWHPMJVMTJK-QFIPXVFZSA-N 426.582 4.719 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ncccn2)cc1C 1544179960 KFDYBWUBBIUTJA-QGZVFWFLSA-N 432.908 4.552 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)nn1C 1544634156 UPKGSDZVDPEDCZ-HSZRJFAPSA-N 444.535 4.541 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1546594190 DCUHGXNWSRCRGA-OXQOHEQNSA-N 436.947 4.569 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)C1 1552504042 CAYPXFJNJXUHQU-KDXIVRHGSA-N 439.629 4.600 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)C(C)C 1558910312 ZGHHSVZKHOSQOT-ZEQKJWHPSA-N 447.623 4.507 30 10 IJEE C=C[C@H](Sc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)C(=O)OC 1559332705 OXIPGYCBZIXHOQ-INIZCTEOSA-N 437.399 4.772 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(CCc3ccc(F)cc3F)CC2)CC1 1559952268 FXUNPIRNOJDCDM-CSKUQDPHSA-N 431.571 4.929 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1562059066 SSUDVRHSOUTQEF-UHFFFAOYSA-N 447.560 4.569 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C 1564719637 LGVBNFBTHUVFEF-IIBYNOLFSA-N 448.380 4.977 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1F 1564999625 IVEBPXFFAPGUEY-QKKBWIMNSA-N 435.877 4.520 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)CN(C(=O)OC(C)(C)C)C1 1565914064 TZZDWKLHZZHIJN-UHFFFAOYSA-N 428.451 4.688 30 10 IJEE C=CCc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc(OC)c1OC 1566400463 KURILDXXYBYCLA-JOCHJYFZSA-N 437.561 4.870 30 10 IJEE C=CC[C@]1(C(=O)NCC(F)(F)c2cc(F)cc(F)c2)CCCN1C(=O)OC(C)(C)C 1583674760 QIWXOIARDXODDS-HXUWFJFHSA-N 430.442 4.519 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3[C@@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)cc2n1 1585161799 RFTCXCSQNFEORP-WEYGHZABSA-N 438.572 4.977 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(CCOC)CCCC1 1587603490 LVSGUBDUFQXKNR-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCC(F)(F)C1 1588254510 XVVLPVWJECEROD-IBGZPJMESA-N 444.501 4.675 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC[C@H](C)N1CCCCC1 1588452015 LTDWWZWAGZNPML-NRFANRHFSA-N 425.646 4.603 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(OC(C)C)CC1 1589116971 QISPZJAONAIWJR-UHFFFAOYSA-N 444.670 4.639 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCCNc1ccc(C(F)(F)F)cn1 1589216470 PNCOYVQZCVOAAS-JOCHJYFZSA-N 448.537 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1 1589545616 ODSRPRUDJQPBAC-SFLYRZDNSA-N 437.632 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCc1c[nH]nc1C 1589652669 YCLDGTQTUOFMLR-UHFFFAOYSA-N 431.544 4.667 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1593796098 HKKPUECMCVXRIG-FQEVSTJZSA-N 427.474 4.756 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2[nH]c(C)cc2c1 1594552656 PZIPCYWCCQWEKV-UHFFFAOYSA-N 434.588 4.535 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCC[C@H]21 1594727234 MPPGPHXGKHNSBQ-XUVXKRRUSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC(F)(F)C1 1595161839 NGIBPXKCMPLVJP-GOSISDBHSA-N 429.540 4.953 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1 1595598901 IQAXPMGGANEBSJ-RDJZCZTQSA-N 440.968 4.697 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS[C@@H](C(C)C)C1 1595896043 UCKISBSBWNMYNJ-OAQYLSRUSA-N 441.670 4.778 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1ccnc(Cc2ccccc2)n1 1612165229 RBANFGZPRIHWMS-UHFFFAOYSA-N 429.549 4.884 30 10 IJEE COc1cc(C#N)ccc1CSc1nnc(N2CCCC2)n1-c1ccccc1Cl 1613385820 CTGIOEREPHBGIQ-UHFFFAOYSA-N 425.945 4.693 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccccc1C(=O)O 1614234345 KIODKCJOKIPJAT-LBCNESNHSA-N 443.322 4.937 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1616499750 AIIZIHMKMWGDLC-NRFANRHFSA-N 430.556 4.531 30 10 IJEE COc1ccc(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)cc1 1619226496 HURVAUXHBFORIG-CVDCTZTESA-N 437.588 4.537 30 10 IJEE COc1cccc(CC2(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)CCCCC2)c1 1628894972 HTLKEDZWNWXCEH-RUZDIDTESA-N 431.580 4.597 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 1632373582 NBLMAFFVSZUWRX-LJQANCHMSA-N 430.508 4.805 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(Br)cc2)CCCC1 1632472955 MMKMXQXMYRLLIT-SFHVURJKSA-N 449.389 4.641 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCCc2ccccc2)c2ccccc2)c1 1638475908 HJWPAAUEZPDSDU-UHFFFAOYSA-N 431.557 4.763 30 10 IJEE C=C(CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(Cl)c1)C(=O)OCC 1640579193 XEVDPDWIGPGKDZ-UHFFFAOYSA-N 429.929 4.808 30 10 IJEE C=CCn1c(Sc2cc(COC)nc(C(C)(C)C)n2)nc2cc(Cl)ccc2c1=O 1641961588 LZGUIGMOZHIOKD-UHFFFAOYSA-N 430.961 4.621 30 10 IJEE C=CCn1c(SCC(=O)CCCc2ccccc2)nnc1[C@@H]1COc2ccccc2O1 1643490625 DGCVQPHNNMKSPU-QFIPXVFZSA-N 435.549 4.661 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccc(C)cc3)C2=O)nc2cc(Cl)ccc2c1=O 1652366042 WDRBEBLIJOEABQ-FQEVSTJZSA-N 439.968 4.832 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCCC[C@@H]2CC)nc2sc3c(c2c1=O)CCCC3 1652458735 QEWMSFDHQXWUPG-CVEARBPZSA-N 445.654 4.795 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1653734750 SKPHIKZXGWZSEU-MSOLQXFVSA-N 429.655 4.866 30 10 IJEE C#CCOc1ccccc1NC(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1 1660837748 WFWWKSGUPRFQEM-UHFFFAOYSA-N 429.561 4.638 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1 1662574290 ZFTHIAXOJCINGE-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE C#Cc1cccc(NC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)c1 1667090543 SSFWAGVVGMGNML-RXFWQSSRSA-N 428.532 4.875 30 10 IJEE Cc1ccc(C)c(C2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)c1 1672020298 AMJWPMUHOMXQPB-UHFFFAOYSA-N 433.371 4.506 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1672314762 WTISVRACWQWKDQ-KRWDZBQOSA-N 429.345 4.874 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCC2(N(C)Cc3ccccc3)CCCCC2)cc1 1673643662 MXSZPADXYRUFCK-UHFFFAOYSA-N 434.584 4.559 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)c1 1674202084 BKTBZBIMFCXYSJ-HOTGVXAUSA-N 431.458 4.969 30 10 IJEE C#CC[C@H](NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F)c1ccccc1 1674664490 RGJSWTKHAOROHK-AWEZNQCLSA-N 442.235 4.671 30 10 IJEE C=CC(C)(C)CCNC(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 1674718548 UMJQDAWTXDAGGO-KRWDZBQOSA-N 439.394 4.751 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1Cc2cccc(Br)c2C[C@H]1CC 1675023247 IPQAUDZXNLAIBW-MRXNPFEDSA-N 431.305 4.969 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 1679303786 BYMWVFOHOLTNAY-NRFANRHFSA-N 445.485 4.880 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)[C@H]1CCCc2ccccc21 1681387880 RXQZQFDUIATZFK-BJKOFHAPSA-N 432.955 4.885 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCC(OC(F)F)CC1 1682601986 XIRDQRPHWYVDKS-UHFFFAOYSA-N 435.284 4.836 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(C(C)(C)C)no1 1689835311 KAYDFQZPGDIJES-CVEARBPZSA-N 437.613 4.923 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1689847353 XXCCOCSFRGCMMY-KXBFYZLASA-N 431.437 4.728 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCN(C(C)C)CC1 1689879757 GPAXNCNRFODPLZ-FQEVSTJZSA-N 439.673 4.855 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCS1 1690095770 CACORDQBIBVRIV-LJQANCHMSA-N 444.670 4.647 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1690166193 XWICKLGLZWRDNR-FPOVZHCZSA-N 449.624 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1690237755 AHEVAXWTHBAUFF-YTXYEVPYSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(Cl)=C(Cl)C1 1690250943 NIBVUNWCGKHJHU-HNAYVOBHSA-N 439.412 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)c1ccc(OC)cc1 1690269884 KYEUTSLFRWVKCI-UHFFFAOYSA-N 436.604 4.529 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1690368683 HUFJBWRHVAGJLH-PKOBYXMFSA-N 445.405 4.845 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690468221 VHJSKLWEEJAFPS-JOCHJYFZSA-N 448.036 4.543 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1(C)CCCC1 1690561665 YIZKAXANEARTTH-UHFFFAOYSA-N 426.568 4.908 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1oc(CCC)nc1C 1690570221 ZOTPUTYOYHAVNM-UHFFFAOYSA-N 446.530 4.969 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCCNC(=O)c1occc1C 1690574137 POMRAPCLRDCKLT-UHFFFAOYSA-N 441.601 4.551 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@](C)(O)CC)C1 1690687592 FELOMWXBZNINMO-NYHFZMIOSA-N 447.004 4.756 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1CCN(CC)CC1 1705481810 NBDKWGOFNBUACD-OALUTQOASA-N 439.673 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(F)cc(OC)c1 1705576413 KONKXXNQSWCQOX-UHFFFAOYSA-N 448.567 4.544 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)F)C1 1705688082 NFLATUWQQAARSG-GFCCVEGCSA-N 447.274 4.537 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1705747019 CKOJAFAPJRXNPT-OXQOHEQNSA-N 434.943 4.705 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1705777594 HJXCQBRZWWBXCE-KOSHJBKYSA-N 443.039 4.906 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1705791128 OOUZERBVYRPMBA-JOCHJYFZSA-N 449.599 4.524 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1705796438 FDQZJSLJDODGGF-WSTZPKSXSA-N 438.526 4.823 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)CCc1nccs1)c1ccccc1 1705797320 UEXPDHRRLFYOIT-OAQYLSRUSA-N 430.581 4.835 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1705821530 AAGBSZAOOZRDMS-UHFFFAOYSA-N 442.007 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@](C)(O)[C@H](C)CC 1705837282 WEQPEGIRLCBPGB-YJYMSZOUSA-N 441.801 4.780 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CCc1nc(C(F)(F)F)cs1 1705864666 JAVCNAJOZKXHNA-UHFFFAOYSA-N 439.482 4.890 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705879038 KXZUYARAFPTFKT-KRWDZBQOSA-N 425.602 4.859 30 10 IJEE CC1CCN(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H](C)CC#N)CC1 1708141343 BWQFRVLSHCEYDA-RTBURBONSA-N 445.011 4.542 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CCCCC1)N(C)C 1709202775 GKYCAKWSBCKEBY-CTUHWIOQSA-N 434.632 4.952 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(C(F)F)c1 1722346295 OGUMBGAANCWNSA-UHFFFAOYSA-N 437.313 4.824 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cnc(C)s1 1722406202 VGSMSVDDDPXWAN-UHFFFAOYSA-N 430.581 4.625 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1722497228 SVRBHFCYIRDNAI-XLIONFOSSA-N 432.490 4.934 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccnc(SCC)c2)CC1 1722567979 UHVJMSJRZLZPNG-UHFFFAOYSA-N 441.551 4.859 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1722585989 PKXPCXZWYDLJMV-UHFFFAOYSA-N 447.583 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@](C)(C#N)C1 1722589063 CLEFQPQALOGORH-RUZDIDTESA-N 437.588 4.988 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCO[C@@H]1CCOC1)C1CC1 1722646075 HIDZDKPOGBZSMU-QGZVFWFLSA-N 437.371 4.602 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1722669832 OFERGLHEXOSITC-RBBKRZOGSA-N 434.613 4.663 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2Cc2nc(C)c(C)s2)cc1 1724450412 DBOIJNYNFSBQCA-OAHLLOKOSA-N 426.615 4.596 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1Cc1ccsc1Br 1729396201 AMFTWDLVBSHZRW-UHFFFAOYSA-N 428.359 4.536 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740568360 VUORTLQJOVKEQF-VCOUNFBDSA-N 426.536 4.509 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740584545 HRHVGZMEDLPNJN-FPOVZHCZSA-N 448.571 4.524 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740675184 IUSKKSCXCTWZSA-IRXDYDNUSA-N 438.469 4.824 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1740676019 NSKGTDGNVLZAFG-OYRHEFFESA-N 439.623 4.723 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740712812 VBKVKIUZQKZHHO-XMMPIXPASA-N 426.630 4.515 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1740718686 UFMYWGFVQKHGHO-HXUWFJFHSA-N 448.995 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1sccc1Br 1740776163 QOLWXKCDHPSRKI-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCC(C)CC2)CC1 1740840971 FGPPKLUGBBBHQB-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CC(=O)NC)CC1 1740843367 FQBYOAJNZZEKFS-QFIPXVFZSA-N 437.632 4.775 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740865427 UGIAZGWGBHKGPS-UFYCRDLUSA-N 447.624 4.616 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)C)C1 1740866393 CLOQHVDIQFCXMW-PMACEKPBSA-N 447.624 4.568 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 1740908165 NBMRMZPBECKYMB-WMLDXEAASA-N 449.368 4.553 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC(F)C1 1740998519 PUUYHAGMMYUEBK-UHFFFAOYSA-N 439.398 4.811 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CCn1c(N(CCC#N)CC2CC2)nnc1C(C)(C)C 1742085545 BDFVCUHRMURIHK-UHFFFAOYSA-N 442.995 4.696 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC1(COC)CCCC1 1748912332 CSRWOGHCUJUBNR-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 1749103837 FEBLFJPEFQHFQZ-UHFFFAOYSA-N 433.394 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1OCCC1(C)C 1749147624 LLBSVKAWZLOSTM-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCCn1ccnc1C 1749148123 XHPLUGALMCOMQZ-UHFFFAOYSA-N 443.393 4.705 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@@H](C2CCC2)C1 1749181569 MEBFEUFIKYKGCV-INIZCTEOSA-N 449.368 4.676 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCOCC)CC1 1749348067 XJCICBOTAUMPBW-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC[C@H]1C 1749357507 SNXSNVUCULVTDU-MRXNPFEDSA-N 433.394 4.843 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1749397067 OTUBIDNJVPWILY-NRFANRHFSA-N 446.599 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CC1(N2CCSCC2)CCCCC1 1749479051 QROBRBPVXHQFDE-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CCOc1ncccc1F 1749541160 JGARVTWQHWKRBA-UHFFFAOYSA-N 427.499 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1c[nH]c2ccccc12 1760124666 KRRUNIPGBKBPGS-JMUQELJHSA-N 433.600 4.769 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1760133473 FREKHVMFCMZKTH-DHIUTWEWSA-N 449.643 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CCOCC1 1760340838 QCHXHYKRWKERBC-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1760390718 LQYIPLWZSDJJQD-DFBJGRDBSA-N 443.586 4.814 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760405380 RKBLJOBZHKPIOP-NLFFAJNJSA-N 426.605 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760409818 IUUTYZGWUPHPHB-UHFFFAOYSA-N 443.567 4.601 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1760438035 WZWGRLRTPWPQPT-RBUKOAKNSA-N 434.588 4.656 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCSC1(C)C)C1CC1 1760470434 RRIJABJPHRXPBM-GOSISDBHSA-N 439.629 4.834 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C(C)C)N1CCCC1 1760481921 LVBFXRGYCMJPFJ-XMMPIXPASA-N 430.600 4.653 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1760498924 ISOQBVKNKCMTRU-JOCHJYFZSA-N 432.616 4.561 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1760514234 YKBZCPUALYKFAW-JBACZVJFSA-N 437.588 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)c2cccc(F)c2)C1 1760545229 PWNMQRUKZHKPPG-NRFANRHFSA-N 435.547 4.547 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1761077572 CLXSCTBSAXFMIB-LJQANCHMSA-N 446.640 4.957 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CCC#N)CCOC 1765081995 ASUAYMMBTXABRN-NHCUHLMSSA-N 446.599 4.995 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1765085442 HPHZGJOPDNOFFD-PKOBYXMFSA-N 437.979 4.666 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1F 1772790888 IWFZGGBXJMLSKN-UHFFFAOYSA-N 429.325 4.880 30 10 IJEE COc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3OC(C)C)nc2cc1OC 1858204797 RXVCPXOCDNYMKX-UHFFFAOYSA-N 437.521 4.642 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)Cc1cc(OC)ccc1Cl)[C@H](C)CC 1860982611 MDUPEHYBMLCQFS-VGSWGCGISA-N 425.013 4.899 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)CCc1ccc(OC)c(OC)c1 1861081814 ARVMYPNKMUUYIM-OAQYLSRUSA-N 434.621 4.788 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(Br)cc1 1861116540 DEEXTFJUUWPOOB-IZLCOFNUSA-N 435.406 4.930 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)C1CCN(Cc2ccccc2)CC1 1861164138 RORQCVVTIIDVPW-DEOSSOPVSA-N 429.649 4.660 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1862432819 NRHKYNQHSPUMLV-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(Cl)c1 1862502457 AHSRFSJNBOCJOB-HXUWFJFHSA-N 431.891 4.792 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(Br)ccc1F 1862567054 JLWYGZLNSQOOKN-GOSISDBHSA-N 447.304 4.549 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1OC 1862578380 DXUPVCVPMCZIPE-IBGZPJMESA-N 449.425 4.709 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862643082 STAUQRUZHHVPEE-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2F)cc1 1862662196 UUXIQPRVKGXUNZ-JOCHJYFZSA-N 442.506 4.618 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862725943 VJKWAAMVAKATNE-WNSKOXEYSA-N 449.453 4.591 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)c1 1862936545 SKDGFBQZZQDPAS-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863144314 FAUFQVFFWYOISL-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccccn2)C1=O 1863651178 IWRCGOYIHRFAPA-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1cccc(C#N)c1 1866652183 STZMLFSPJUMBSS-QFIPXVFZSA-N 444.535 4.686 30 10 IJEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 1866818991 IJOVGWPFFIOXMZ-XBEJUPMFSA-N 443.934 4.981 30 10 IJEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868239000 ZWHANLOXVWKFSC-QFIPXVFZSA-N 430.531 4.847 30 10 IJEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)CCCOc1ccc2ccccc2c1 1870105729 GOTGOXVRGYDODM-UHFFFAOYSA-N 445.910 4.802 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CSCC 1870274606 USVWJKYGVQHWLB-UHFFFAOYSA-N 441.634 4.811 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1ccc(O)cc1 1870491561 YSFXGPNWFVODFA-UHFFFAOYSA-N 444.575 4.972 30 10 IJEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870920482 QJYFDQFVROOSPK-UHFFFAOYSA-N 434.536 4.859 30 10 IJEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2cccc(Cl)c2)cc1=O 1871007532 HLWHHFYDTPDYFK-QFIPXVFZSA-N 443.330 4.513 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccccc1C 1871042031 JVERNKKFFKTODO-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871251990 FWXDDOMSYIXBIV-UHFFFAOYSA-N 440.547 4.697 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871255478 YMQUDYGFCBWYLJ-UHFFFAOYSA-N 441.535 4.833 30 10 IJEE CCOC(=O)CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1cccs1)C2=O 1871396760 UVSSHHSVXDEFIA-XKZIYDEJSA-N 449.528 4.635 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872152555 UYYCXGWNXBVOPM-XXBNENTESA-N 444.597 4.706 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)c1cccs1 1872514615 JNSQNKAPEMIOLT-QFIPXVFZSA-N 440.590 4.922 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 1872776186 KHIRJVBATWHCCB-CQSZACIVSA-N 426.385 4.564 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(NC(C)=O)cc2)n1 1872788546 KWNMWSZOVWPJPQ-GOSISDBHSA-N 439.924 4.849 30 10 IJEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2cc(Cl)ccc2O)cc1 1874223441 LRUDPJPGBFZOLB-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccc(OCC)cc3)nnc2SCC)cc1 1874235756 YOSUMYWXBYGXOP-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1Cl 1874273292 DTFXRGPKSWEBAJ-BRUSPLQXSA-N 431.993 4.596 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1cccc(OC)c1OCC 1874412236 JLOITLOFGIPBND-LPYMAVHISA-N 428.583 4.888 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2ccco2)cc1C 1874416567 XCEQEURNNNZKED-MFKUBSTISA-N 445.548 4.692 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1F 1874465812 CIOXNZFXQYCYLX-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1Cl 1874490435 QFIUJTXTQVCBIA-YDZHTSKRSA-N 434.009 4.553 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cn(C)c3ccccc23)c1 1874511931 SCBFFYILZAAGJH-DHRITJCHSA-N 446.580 4.815 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)NC1CCCCC1 1874619510 DNQWHHKVVUDEFW-ZRDIBKRKSA-N 437.536 4.736 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(OC)c3)c(OC)c2)cc1 1875115049 KFXFZZQNPDCWSN-NTUHNPAUSA-N 448.471 4.593 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875125259 ZILZPXMWMQLHOU-MTCRFPMVSA-N 436.838 4.997 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)c1 1875145776 SFEHAAQWHOGZEF-ZRDIBKRKSA-N 448.471 4.836 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)ccc1Br 1898261486 QYBZONWSNLEIKF-ROUUACIJSA-N 427.358 4.936 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1Br 1927790764 XMHRSKZXVDYJCR-CQSZACIVSA-N 428.124 4.647 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1933895427 DMOWILWDKHQOGK-KHCICDEESA-N 427.545 4.715 30 10 IJEE CCC1CCC(C#N)(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1984693905 DPNIFPAULFDVJD-SIYOEGHHSA-N 445.563 4.892 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cc1 2033306092 HYDQPTBYBAOFPM-PWIZWCRZSA-N 445.560 4.974 30 10 IJEE C#CCOCCOCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134730418 GFSWBOQAHMJMPF-UHFFFAOYSA-N 445.559 4.601 30 10 IJEE N#C[C@H](C(=O)c1ccc(Br)cc1I)c1ccccc1 2142284825 IHZUJUUCFBCKCA-ZDUSSCGKSA-N 426.051 4.544 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(CNc2ccc(C#N)c(Br)c2F)CC12CCC2 2162323824 KGXNXIYRUDSZFF-HXUWFJFHSA-N 438.341 4.957 30 10 IJEE Cc1cc(Br)c(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)s1 2229371481 ZQBCPTCMOVEWKA-SGTLLEGYSA-N 426.185 4.517 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@H]2CNCC[C@@H]21 2233794942 MQCFJCBVSIGECK-YWMUFLPLSA-N 434.378 4.863 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(F)cc1I 2235733037 ZOOGJKRHYCNXND-INIZCTEOSA-N 444.085 4.505 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@@H](O)C#Cc3ccccc3Br)C2)C1 2235734069 QABJYXYMDQCDFQ-OZWAEMERSA-N 434.374 4.589 30 10 IJEE Cc1cnc(Nc2cc(Br)c(Cl)cc2F)c(B2OC(C)(C)C(C)(C)O2)c1 2241082115 OXLXUBVGFOUDDR-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)Cc2ccccc2)n1 2241386046 IHETVXYSCTZXHD-UHFFFAOYSA-N 430.357 4.596 30 10 IJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2256730789 IZTOAVUIHFDIIV-YIXXDRMTSA-N 439.644 4.740 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)[C@H](C)CN(Cc2ccccc2)C[C@H]1C 2261825676 GRCJTRFXHIOZFG-FGZHOGPDSA-N 437.580 4.778 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)CC1(C)C 2261829918 RXFNVTVRUYUNNR-VWLOTQADSA-N 447.572 4.657 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)NCc2cccc(OCc3ccccc3)c2)OC1(C)C 2267607056 HTKIBGSRNWWBSK-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cc(Cl)c(Br)cc3F)c2F)OC1(C)C 2280766525 HNLZNRUORMKNIM-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CN(c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)[C@@H]1CC[C@H]1OCc1ccccc1 2285380435 HVEBJNZNVQPCRU-JWQCQUIFSA-N 444.384 4.718 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](O)CC#CC1CCCC1 2289923831 DPCPIYBDDIMDIL-UXHICEINSA-N 436.390 4.830 30 10 IJEE C=CCC1([C@@H](C#Cc2cccc(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 2296220514 YVBJFFNYIBCFPQ-LJQANCHMSA-N 433.390 4.592 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@@H](O)C#Cc2cccc(Br)c2)c1 2296221925 NGZDLTYPGFSOSM-FQEVSTJZSA-N 430.342 4.601 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C12CCC(CC1)N(C(=O)OC(C)(C)C)C2 2296267409 SMOVVOTVZFHQJK-LVIWNVNYSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](N)C#Cc2cccc(Br)c2)CC1 2296267771 WWOUBPTYMLRRDF-IBGZPJMESA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H](CC)CCN1C(=O)OC(C)(C)C 2296268513 FTCDHNGGDKCBMI-RLLQIKCJSA-N 435.406 4.814 30 10 IJEE CC(C)n1ncc([C@@H](O)C#Cc2ccc(Br)cc2)c1NC(=O)OC(C)(C)C 2296269512 PEYIWBYDNJJTJQ-KRWDZBQOSA-N 434.334 4.659 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296301387 UFKKNRIUFMMCDV-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296304602 IVPGDWAWKBFIIF-BPXKWBHBSA-N 435.406 4.992 30 10 IJEE O=[N+]([O-])c1ccc(NCCN=Cc2cc(Cl)cc(Br)c2O)c(Cl)c1 2297534197 FGUGXSWNDSBUAE-UHFFFAOYSA-N 433.089 4.901 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@]1(C)CC 2315240228 AIQUTULKTUOAFA-DFCKQENNSA-N 446.632 4.668 30 10 IJEE N#Cc1ncccc1CSc1cc(I)ccc1Br 2316465919 RQJDJWVTHWHGND-UHFFFAOYSA-N 431.096 4.613 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2sccc2C)c(C)c1 2320907481 JRWLOOAIQREPPI-UHFFFAOYSA-N 425.583 4.755 30 10 IJEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1cc(OC)c(OC)c(OC)c1)C3=O 2322046686 VJPRIGZQWKXIQS-UHFFFAOYSA-N 439.508 4.671 30 10 IJEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O)C(=O)O 2324781215 TTXGSRDQZMKADJ-SFHVURJKSA-N 426.465 4.651 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cc(OC)ccc1OC)C2=O 2325044724 IGPIMUGJMNHQQD-UHFFFAOYSA-N 440.492 4.741 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325571811 RMDAPEOPHVSKSF-UHFFFAOYSA-N 431.444 4.733 30 10 IJEE CCN1C(=O)COc2ccc(C(=NOCCOc3cccc4ccccc34)C3CC3)cc21 2330343409 ZDPZVUNHBJVAGI-UHFFFAOYSA-N 430.504 4.795 30 10 IJEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 2330534602 SDLVUWGLDVPEIN-DEOSSOPVSA-N 443.934 4.981 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccco2)o1 2330576159 IQNQSMMANIXYEY-UHFFFAOYSA-N 428.495 4.544 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccncc2)cc1C 2330632684 BXVRPJKAIZWXFZ-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1cccc(F)c1)Nc1ccccc1F 2331021318 LOSJNXQFXHQJNC-UHFFFAOYSA-N 441.507 4.827 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1cc(F)ccc1Br)C(=O)OC(C)(C)C 2337906803 JQWHEJFNWFONSY-GOSISDBHSA-N 427.358 4.889 30 10 IJEE CC[C@H](NCC(C)(C)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338519123 NWJAGGPXOJRNHB-DEOSSOPVSA-N 436.449 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339542558 DIHOKSFYONDYFI-RBUKOAKNSA-N 443.397 4.974 30 10 IJEE C#CCN(C[C@H](NCC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2362769551 YSSVAPMHBKNIAN-IBGZPJMESA-N 437.378 4.511 30 10 IJEE COc1cccc(C#N)c1NCc1ccc(I)c(Br)c1 2377356142 ZLRSYIDHKXWHMJ-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 3042750 WYXPJCSIZBEJQJ-QYQHSDTDSA-N 432.524 4.680 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1Br 14669309 YASBFIDADHFIDZ-GOSISDBHSA-N 432.314 4.824 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](CCC)c2ccccc2)nc2cc(Cl)ccc2c1=O 21282091 CWZFRKOTDHDURS-IBGZPJMESA-N 441.984 4.986 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(Nc3cccc(F)c3)s2)CC1 26526009 HBRZCPLKTNOZJN-LQZXRHCMSA-N 433.578 4.832 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)c1 169929096 IQGIHTUGVYRPHP-XMMPIXPASA-N 431.463 4.936 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 169952992 ACYDFFWMWDPBGA-XMMPIXPASA-N 442.515 4.853 30 10 IJEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)c1 169981529 RXYPTRGJEMDRDW-HSZRJFAPSA-N 449.503 4.723 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170012129 MHOIFIUSDPAYBB-HSZRJFAPSA-N 442.446 4.788 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103272 LRIBIGACXOPDQC-LJQANCHMSA-N 433.851 4.901 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1sccc1C 170107307 DCHHZDTWFFYPEK-HXUWFJFHSA-N 426.582 4.593 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(O)cc1 170131234 ZKDNWNHKKWSPNO-JOCHJYFZSA-N 447.462 4.940 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 170134385 YKAVHILLPPJIJN-JOCHJYFZSA-N 433.460 4.553 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)c1 170144545 APFDAXSJBSQOAX-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(C)c2)ccc1Cl 170145638 PVQABECBOIPAOA-OAQYLSRUSA-N 443.927 4.662 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccs1 170156676 WTNXMTKQTJZDSH-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccn2)c1 170170529 HTXPTGJHBOAPRH-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)cc1 170170588 KJQJHCVPZANXOK-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)cc1C 170183333 BMSPSSXLNWSCCO-NRFANRHFSA-N 434.517 4.547 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)cc1C 170239323 PFZCXEFYTFSAQL-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3ccc(F)cc3)ccc2O1 170239353 DEKUQNGBYUUEGL-QKFKETGDSA-N 445.446 4.638 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F 170249187 MULIAYVBNHCEIV-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccccn1 170274337 DUWDZVHPLORHKK-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1sccc1C 170317744 YGGXRHFAWOPWMY-FQEVSTJZSA-N 443.565 4.706 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCC)c1 170324487 KVSRKRXCTNOSRE-QFIPXVFZSA-N 447.487 4.995 30 10 IJEE COc1ccc(C=NNC(=S)Nc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 254855542 SPZMRZBWUXBBPQ-UHFFFAOYSA-N 448.548 4.553 30 10 IJEE N#Cc1ccc(Nc2ccc(I)cc2Br)cc1[N+](=O)[O-] 312435664 PQAAEKFYCFVXNU-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE N#Cc1cccc(NC(=O)Nc2ccc(I)c(Br)c2)c1 312805491 RECITQKVJQSHCA-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2F)OC1(C)C 404971925 QTKMEXFSOYFNEW-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 410070804 AKZAGCKPZKKZMZ-UHFFFAOYSA-N 439.559 4.861 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 460561803 GLNVYBPBPKDGQF-AFXVXQJMSA-N 436.600 4.883 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 460912299 TZSLCIPPSRHUAE-OAQYLSRUSA-N 438.535 4.670 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(-c2cccnc2)n1Cc1cccs1 461490291 LLLONRQNWKBLKM-UHFFFAOYSA-N 432.509 4.551 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCOC1 461556159 DXXWZQOFZGIHTF-QPPBQGQZSA-N 430.552 4.574 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508867452 QAWPCLASWGPRLQ-XMMPIXPASA-N 441.535 4.842 30 10 IJEE Oc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1O 526802532 KDCNCDWDFUQATH-QFEZKATASA-N 434.496 4.594 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C4CCOCC4)CC3)n2CCc2ccccc2)c1 549166840 NCEPKMDKTCQXQP-UHFFFAOYSA-N 441.579 4.702 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2nc(C)cs2)C1 549604130 RTXSSKHCNXSIQF-SFHVURJKSA-N 445.976 4.526 30 10 IJEE COc1ccc(CCN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586156727 VNWVOACNHYPGKL-UHFFFAOYSA-N 440.952 4.654 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698447054 RTKCFJUHSJBICV-YRHGQSLTSA-N 427.545 4.966 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1c(C)cccc1C 733198311 VCYKLJISENVBII-NRFANRHFSA-N 433.577 4.904 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C 733202775 XEPFJYQJVKRVSS-QFIPXVFZSA-N 433.577 4.904 30 10 IJEE C#CCN(C(=O)Nc1cc(OC)ccc1F)[C@@H]1CCOc2ccc(Br)cc21 755836194 NULXYKCSVBDAJK-GOSISDBHSA-N 433.277 4.588 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN(C[C@H]2CCCO2)C2CCCC2)c1=S 765036781 FGZVPLGTDSUSPX-OAQYLSRUSA-N 428.602 4.657 30 10 IJEE C=CCOCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790757472 JCJAILGAGKIDKK-IBGZPJMESA-N 443.594 4.528 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2ccccc2Br)C1 800781890 QZSUCQXIDSXMRO-IBGZPJMESA-N 443.345 4.681 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)[C@@H]1C[C@@H]1c1ccccc1Cl 920372608 SKYBXXCBOVTTDO-ZWKOTPCHSA-N 441.944 4.522 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCOc1cccc2ccccc12 920889306 PLEFTSPVLYEJDG-UHFFFAOYSA-N 448.422 4.545 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1cc(Cl)cc(Cl)c1 1084237132 LJZFXFQQJWGVHJ-OAHLLOKOSA-N 426.300 4.723 30 10 IJEE COc1ccc(CSc2n[nH]c(NN=C(C)c3ccc(Br)cc3)n2)cc1 1084345484 GIVXHJHYBRZBRL-UHFFFAOYSA-N 432.347 4.704 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(C)c(-c3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 1124987393 ABXYBGBGVKCFIB-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 1125137186 PJUKLEKVPGDVMC-UHFFFAOYSA-N 434.467 4.581 30 10 IJEE CCc1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)nn1-c1ccccc1Cl 1125460151 DHQIBZOIYGDPHT-UHFFFAOYSA-N 444.882 4.794 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)s1 1130623250 OWRGYLFRAOTQLU-TZMCWYRMSA-N 431.023 4.560 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@@H]2c2cccc(F)c2)s1 1131249187 RZBRTAHWERBGPQ-MRXNPFEDSA-N 426.966 4.578 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C(=O)OCC 1132192661 MRADWOGYBGDDSG-ZDUSSCGKSA-N 431.794 4.649 30 10 IJEE C=C(C)C[C@H](NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)OC 1132197045 MAHWXTOMKXUZCX-QFIPXVFZSA-N 438.955 4.900 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1147165336 GHPRGHBTJGWEMG-CVDCTZTESA-N 440.565 4.555 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 1147166614 RRIMVDRRLSLZRO-XXBNENTESA-N 426.582 4.969 30 10 IJEE CC(=O)c1cccc(C#N)c1OCCOc1c(Br)cccc1Br 1166721867 MFKAHXHIUCTSEA-UHFFFAOYSA-N 439.103 4.744 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(Br)ccc21 1176303136 RLTCOOYBPNSHBH-QZTJIDSGSA-N 437.378 4.802 30 10 IJEE N#Cc1ccccc1N1CCC(NCc2cccc(Br)c2OC(F)F)CC1 1179303942 DQLTVXKFIQYSCO-UHFFFAOYSA-N 436.300 4.681 30 10 IJEE C=CCCCCC[C@H](C)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1181360599 HPSNIYJUPXTYFS-HKUYNNGSSA-N 443.451 4.717 30 10 IJEE C=CCn1c(SCc2nc(CC(C)C)no2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1187948413 PXFPYBTXVBOZLJ-ZDUSSCGKSA-N 430.599 4.643 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@]2(CO)CCCc3ccccc32)cc1F 1201225760 BHHFSGKHFJKIER-RUZDIDTESA-N 431.467 4.835 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](COc2ccccc2)C1 1219084596 RZPPVUQVUJSCAI-MRXNPFEDSA-N 431.330 4.947 30 10 IJEE C#CC[C@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(I)c2)C1 1219905619 SIDBDJUGMDAXJN-HNNXBMFYSA-N 446.288 4.961 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC(C2CCCCC2)C2CCCCC2)[C@H](C#N)C1 1225936634 FJBGCNFTVRTZTL-WOJBJXKFSA-N 432.609 4.574 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 1272483328 FDLIJNBVBYQUDB-OAQYLSRUSA-N 426.472 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)Cc1cccs1 1286274520 MYVVAOXLWCVENM-MSOLQXFVSA-N 430.581 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=C)c1ccccc1 1286298156 GHIUOIMHHQZRMG-FQEVSTJZSA-N 449.599 4.564 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@H](F)C1 1286400403 FOPIHACILQYCGD-YADHBBJMSA-N 429.543 4.564 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1286500201 SNKRPOBRYMMZTB-KRWDZBQOSA-N 425.627 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(CCc2ccccc2)C1 1286573075 DYQUEQAFHNZRFU-DEOSSOPVSA-N 444.627 4.616 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(C1)OCCO2 1286681607 PTWLBNJVGIIEFN-NRFANRHFSA-N 435.572 4.543 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC1CC(C)(C)C1 1286968556 AAPXVMBGGYJGRR-HNNXBMFYSA-N 446.393 4.652 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1OC 1291884880 KTYOJRQHZVKKMX-AWEZNQCLSA-N 427.339 4.646 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)C1)OC 1291941490 GIDJLCJHPIGOCW-UWJYYQICSA-N 427.618 4.600 30 10 IJEE CCC1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1292449038 CZHYJBJHIFQUBB-SFHVURJKSA-N 446.020 4.923 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1ccc(CC)s1 1300324768 LODCPMGQGMLFBO-MRXNPFEDSA-N 426.611 4.709 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1300349196 XJAVARQHQPBYMF-RUZDIDTESA-N 440.588 4.550 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1300352611 NJFZGDBCFNAJCC-RTBURBONSA-N 442.629 4.876 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(F)(F)F 1300612303 YCCYCPNBKKTXPC-UHFFFAOYSA-N 429.284 4.818 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1300650012 QURTUFZVJUVDIJ-WIOPSUGQSA-N 436.575 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300790303 NASYRKAPGPIVSN-QZTZHPFYSA-N 443.998 4.850 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC[C@@H](C)c1ccc(OC)cc1 1300801210 JQCAXFPZXYOODL-NIYFSFCBSA-N 429.568 4.843 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1301152144 UVWAHNMRARWWBX-XZOQPEGZSA-N 433.600 4.715 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1C[C@@](C)(O)c1cccc(Cl)c1 1301410736 KZTXPCHIBHWKFG-HSZRJFAPSA-N 426.948 4.545 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1301467746 KCXCHGWLCFAMPA-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1 1306827762 ZIXNKXNOERXBLX-UHFFFAOYSA-N 438.793 4.667 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c1 1307575205 ZNKDMLWXVSPTRC-UHFFFAOYSA-N 433.437 4.869 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)c1 1310256693 IDSNGYSADZHENG-LJQANCHMSA-N 428.838 4.867 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)c(F)cc1OC)c1ccc(Cl)cc1F 1310898779 DOLISGSDZFNFBS-CQSZACIVSA-N 429.648 4.885 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(I)c(Cl)c1)c1ccc(F)cc1 1311261613 LLBDKIABXJDZLU-HNNXBMFYSA-N 428.632 4.580 30 10 IJEE C=CCCCCNC(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1312541361 FELKCDDKAMRLJZ-UHFFFAOYSA-N 443.588 4.717 30 10 IJEE Cc1c(C#N)c(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n(-c2ccccc2)c1C 1350286692 DDVPJKQBZMBOMU-UHFFFAOYSA-N 432.911 4.998 30 10 IJEE C=CCc1cc(CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)cc(OC)c1OC 1351766583 QWTRENIQEMWQGQ-UHFFFAOYSA-N 446.334 4.855 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1 1355308801 XDXFGTAGXWTWGM-UHFFFAOYSA-N 438.405 4.848 30 10 IJEE CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nc1 1358075873 FYHLROBKXLRBCA-UHFFFAOYSA-N 443.503 4.934 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C 1358912195 KUXZGYMYOUORFY-LJQANCHMSA-N 429.609 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](OCC)c1ccccc1 1358942235 NPZWLBGUWJBMDO-MRXNPFEDSA-N 445.386 4.616 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@H]1C 1359000087 LKJVSSHRPSJORW-UXHICEINSA-N 444.023 4.632 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1359006823 KCFLQBPTCQULGN-XXBNENTESA-N 433.600 4.738 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC(C)(C)SC)CC1 1359182241 YFLQUFQKPGXSHZ-UHFFFAOYSA-N 430.618 4.800 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1359222370 GVVRBGKIEVFSTK-VDGAXYAQSA-N 430.980 4.756 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccc(F)c(F)c1 1447976446 ZPHSEIQGWRQOJA-SFTDATJTSA-N 428.479 4.745 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 1451330880 RYBCNIAFPQBWTH-HXUWFJFHSA-N 439.556 4.706 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](OCC)C1 1452961463 FCNGDKKCWNTIOA-MHPIHPPYSA-N 448.563 4.544 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(O)cc(-c2ccccc2)n1 1459288853 DRRZNAXXOCUSKY-HNNXBMFYSA-N 436.562 4.974 30 10 IJEE C#CCN(Cc1ccc(C(=O)OC(C)C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1459508239 GQSQXTQKBBXBHU-OAQYLSRUSA-N 442.353 4.973 30 10 IJEE COc1ccccc1C(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1459751945 DAYAVGHYSZWLLH-UHFFFAOYSA-N 434.515 4.577 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 1461527596 CZCPINYVASJTOB-YLJYHZDGSA-N 439.021 4.769 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 1468496921 TYBNLTOYBVOKFY-UHFFFAOYSA-N 431.577 4.620 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)CC1 1475857249 IAXHNRGCHXGLQO-UHFFFAOYSA-N 447.919 4.941 30 10 IJEE CC1(C)C[C@](C)(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C(=O)O1 1476217294 GRBKMKRCDPUKFB-NRFANRHFSA-N 447.413 4.975 30 10 IJEE N#CCc1cccc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)c1 1476609998 CFYJOUNYKZSYNV-UHFFFAOYSA-N 434.540 4.970 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1cccc(C)n1 1507525016 YIYGHCNTAVJQFB-IEBWSBKVSA-N 433.625 4.926 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCC1(F)CCC1 1507662516 SWBIYXPWLQTDLT-UHFFFAOYSA-N 447.327 4.592 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@@H]1CC 1507748513 ODFYHFOWKHFHRA-QAPCUYQASA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)c1ccsc1 1507766585 UPGIYBQUTUGRNU-YADHBBJMSA-N 426.973 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1C[C@@H](C)O[C@H](C)C1 1507771614 FMZCXCBYVVYORU-XMERXJNXSA-N 436.600 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1CCN(C2CC2)CC1 1507821715 JPRQJCDGIRBEAC-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CCOCC)CC2)CC1 1507877080 ASWPKERLQYUUNP-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCCC[C@H]2C)CC1 1507880146 INVYNKCSRPJKOH-NHCUHLMSSA-N 441.595 4.978 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1507916197 LQWJPJPUDYCRMJ-SJORKVTESA-N 430.515 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1507917026 KEZWJTZBACRSQV-UHFFFAOYSA-N 434.632 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507919483 NXOVXQUDJYYGJQ-SFTDATJTSA-N 434.632 4.802 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1ccccc1F 1507938776 CHNKKLQRINYAID-UHFFFAOYSA-N 448.340 4.656 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)OC(C)(C)C1 1507941668 IGWUDZDWEIZUIK-HNNXBMFYSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1C[C@H]1CF 1507997862 YUNFWSIXVPXMNS-BDKRGJGYSA-N 442.579 4.928 30 10 IJEE CCOc1ccc([C@H](C)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 1524578954 DWZKSNNUPOVZSP-INIZCTEOSA-N 435.480 4.726 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1 1525224068 HAGIYHVDOVZHCS-UHFFFAOYSA-N 435.593 4.750 30 10 IJEE COc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)[C@@H](C)[C@H](C)CC4)n2)cc1 1527163647 HWTWYFVNPNAHQZ-KGLIPLIRSA-N 436.537 4.935 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1527592087 MPFYVWWCFPLPGT-DVECYGJZSA-N 430.545 4.784 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C 1528001013 PLJZLCQTUKQUSQ-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C#N)c2)C1 1528304113 IBGBIFQKRWZFJX-PXNSSMCTSA-N 431.964 4.853 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1539094739 URYBYRIGSZFMHB-UYAOXDASSA-N 442.991 4.738 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](c2ccco2)C1 1539101910 MIOGDCDBCFETNA-KRWDZBQOSA-N 425.330 4.708 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1ccccc1 1539185920 KBLZDJZLCFDXDM-WJOKGBTCSA-N 434.496 4.655 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(C2CC2)CC1 1539333868 NDSJNTRYPWEBEP-UHFFFAOYSA-N 430.596 4.942 30 10 IJEE C=C(Br)Cn1c(N2Cc3cccc(Br)c3C2)nnc1C(C)(C)C 1539608599 AKGAZXXORUEZPB-UHFFFAOYSA-N 440.183 4.767 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2ccc(N3CCCC3)cc2)nnc1C(C)(C)C 1539609440 NYBUDZRHYGJWGC-UHFFFAOYSA-N 432.410 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 1539623270 LRXAJLYRIOFDTJ-CTNGQTDRSA-N 444.023 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C)C1 1539624336 SBNIEBKTEJQMML-WWMYMODYSA-N 430.980 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCc1nccs1 1539659618 DWXRNONRFLDUDA-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1539661823 KJJSJHJIUHFVSN-UHFFFAOYSA-N 430.512 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nc(C)c(C)s2)CC1 1539882558 OWAGIANPMFXZNV-UHFFFAOYSA-N 428.993 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCC)c(OC)c2)CC1 1539885060 VGPGOIHVKKEMKK-UHFFFAOYSA-N 433.556 4.507 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1539975011 YQBFOVXSNGVMEV-OAQYLSRUSA-N 425.602 4.663 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1540029253 OFFSMIJVSFEXLT-NRFANRHFSA-N 433.581 4.682 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)NC1CCCCC1 1540054837 WOZRTCGOZXXRGQ-KRWDZBQOSA-N 441.645 4.593 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)C(F)(F)F)cc1 1540105895 AEJZMHOJHGVQKH-ZCNNSNEGSA-N 431.410 4.520 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1cccc(OCC(F)(F)F)c1 1540161343 IHAZXMUWCLULSP-UHFFFAOYSA-N 429.446 4.508 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCOC)Cc1ccc(C)o1 1540855009 UCIRJOIANLYUAN-INIZCTEOSA-N 426.586 4.872 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1540914965 GCPYMDDYUKQUJP-RBUKOAKNSA-N 447.674 4.896 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)c1 1542810562 FUZAKCJJBKAITI-HSZRJFAPSA-N 447.535 4.986 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)CCCCC1 1544862947 PUMYLYFAVVWKTN-LJQANCHMSA-N 426.582 4.735 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 1556468389 GRMUPMARWRVLAD-FQEVSTJZSA-N 429.358 4.660 30 10 IJEE COC(=O)Cc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1F 1557073121 CGYJRGVWFHGASI-UHFFFAOYSA-N 434.492 4.957 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 1557747916 XXJLVJNUQZLNQS-WKILWMFISA-N 442.478 4.836 30 10 IJEE CC(C)(NCc1cc(C#N)ccc1Br)[C@@H](O)c1ccc(Br)cc1 1560739299 GHMWSJHZCFFXKE-KRWDZBQOSA-N 438.163 4.685 30 10 IJEE C#CCN(C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)[C@@H]1CCCc2ccccc21 1564025029 GGGWGBRELWXGPR-FYYLOGMGSA-N 431.536 4.599 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)[C@H](C)c1ccccc1C(F)(F)F 1564373690 CBOLMVZRPXQBFV-GJZGRUSLSA-N 436.503 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 1564612532 SZWOOWXDGGLFDG-ZMYBRWDISA-N 425.342 4.710 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CSCc1cn2cc(C)ccc2n1 1570215196 YIWRQIJQRGLODJ-UHFFFAOYSA-N 446.370 4.842 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1583549258 HRKHLJMXXVWXQD-CTNGQTDRSA-N 442.918 4.944 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)n[nH]2)c1C 1586561187 RVBFQQASTLHNSF-UHFFFAOYSA-N 442.548 4.606 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 1587595066 FVLQQPHDMWBTGV-DENIHFKCSA-N 430.589 4.726 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)c1ncc(C)s1 1587678524 TZWNIIBVOSCBIZ-JKSUJKDBSA-N 441.626 4.606 30 10 IJEE C=CC[C@]1(C(=O)Nc2nnc(/C=C\c3ccco3)s2)CCCN1C(=O)OC(C)(C)C 1587926560 ZANZXCFRUCVARO-VFCOFNOGSA-N 430.530 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOCC(F)F 1589178089 QTAWOOHPOZUNLE-XMMPIXPASA-N 430.543 4.907 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC1CCCC1 1589559529 SNDCHFRTUVJLON-WIOPSUGQSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1589687829 QBHFVUKHHRNGTH-FCHUYYIVSA-N 425.621 4.688 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2cccc(OC)c2)CC1 1594651351 IZMWVFQVMIVJOG-UHFFFAOYSA-N 448.615 4.889 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CCc1sccc1C 1595075804 KSZWDEGAWDXVEV-HXUWFJFHSA-N 438.597 4.596 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 1595477351 XXKSSGFKSZRNAG-PKOBYXMFSA-N 427.545 4.783 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(CC)(CC)C2)cc1 1595640045 RVDTTZDKTAWFTD-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1595900542 FDKHMYUWRLBTJA-HXUWFJFHSA-N 440.617 4.556 30 10 IJEE COc1ncc(NC(=O)c2cccc(Sc3cccc(Br)c3)n2)cc1C#N 1598433084 AIJANPSBKPSPOG-UHFFFAOYSA-N 441.310 4.523 30 10 IJEE C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1608584290 FCYWFTYYYPUJFE-ZDUSSCGKSA-N 443.352 4.714 30 10 IJEE Cc1nnc(COc2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)cc2)o1 1616371122 DLQLWCZWFKATBL-UHFFFAOYSA-N 426.432 4.873 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccn(-c3ccccc3)n2)cc1OCC 1620751418 MMOPARXJECTXHR-UHFFFAOYSA-N 442.357 4.888 30 10 IJEE C=CCOc1ccc(CNCc2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)o2)cc1 1621327154 KBXPQAWPKYNBQM-UHFFFAOYSA-N 426.557 4.692 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1 1627430457 VZIFAUIWVFHHOO-SSEXGKCCSA-N 442.562 4.610 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1 1628205985 KUMLCNWPSHKCEJ-WMLDXEAASA-N 425.367 4.876 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1629187134 XVRIESLQBHPSCJ-XLIONFOSSA-N 426.561 4.519 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(-c3nc(CC)no3)cc2Cl)c(OC)c1 1633874867 LNLOIKCJMUDWJE-UHFFFAOYSA-N 427.888 4.707 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1F 1636566867 IPTZDVKBFXNRQG-IBGZPJMESA-N 439.840 4.704 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(Cl)cc1F 1636570819 OANAAGMLXVYVOT-VQTJNVASSA-N 428.891 4.526 30 10 IJEE C#Cc1cccc(N(CC(=O)NCCc2ccc(OC(C)C)cc2)Cc2ccccc2)c1 1642246603 KPKCWJQAFRXUFN-UHFFFAOYSA-N 426.560 4.821 30 10 IJEE N#Cc1c(NC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)sc2c1CCCCC2 1642267935 BOFIVGVTPUSRPC-XLIONFOSSA-N 441.597 4.788 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccccc2)[C@H](CO)C(C)C)n(C2CCCC2)c1C 1644719995 FMEPCVADKCDNID-XMMPIXPASA-N 436.600 4.549 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 1645353761 OUKKMLHNKMZSQO-VGOFRKELSA-N 430.545 4.800 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)Cc1ccc(OC)cc1 1652322220 PMUXSLUWFKFMDU-UHFFFAOYSA-N 446.526 4.740 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H](c2ccccc2)C(C)C)nnc1-c1cccs1 1652707280 SEFBCWWYWKVEMC-SFHVURJKSA-N 426.611 4.841 30 10 IJEE CC(C)[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(Cl)cc1 1653495459 CJHLRTJVQVOONS-KRWDZBQOSA-N 427.751 4.650 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)C1(CO)CCCC1 1653814610 DSSZWRYQSQONKB-CYFREDJKSA-N 437.609 4.903 30 10 IJEE C#CCN(Cc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CCOc2ccc(Br)cc21 1657513485 JFWXHZRAJHAYQT-RBBKRZOGSA-N 442.353 4.576 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2cccc(OC(F)(F)F)c2)c1 1657782236 BTFKALCMRFCPSS-GOSISDBHSA-N 433.474 4.969 30 10 IJEE C#CC(C)(C)N(C)CC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 1658236401 FMVAAWWYAKYBIU-UHFFFAOYSA-N 426.564 4.700 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2cc(Cl)c(Br)cc2F)c(OC)c1 1659180325 SEQBNIXTYOKBKO-UHFFFAOYSA-N 435.698 4.746 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 1671188834 GTVQDMZTLXAJGH-UHFFFAOYSA-N 427.810 4.791 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CCOCC1 1673256124 IRGPRJBBRQMRDV-UHFFFAOYSA-N 445.441 4.652 30 10 IJEE C=CCCCCCCCNC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1673406216 NQWYGGKGCUZXSG-SJORKVTESA-N 435.531 4.858 30 10 IJEE C=CCCCCCN(C)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1675671043 REWZYWGAYCERLD-IBGZPJMESA-N 425.495 4.757 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 1680314070 HQYAZDLBJQBMIX-YADHBBJMSA-N 434.337 4.802 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1 1681093725 DQFVMXPHUIFXER-RLWLMLJZSA-N 447.535 4.693 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)c1ccc(Br)cc1 1686274273 GGMWJOLRBYRBPM-SKDRFNHKSA-N 432.265 4.659 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1689916448 KKKJLMMNDAEPGA-UHFFFAOYSA-N 434.540 4.558 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1CC 1690095553 UNYLTAVHQXVKSX-PKOBYXMFSA-N 445.405 4.620 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(C)CCC1 1690095668 ZAKNILIIUZHNPS-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690251360 TXLNPOXWPOCDAY-XZKMEQPCSA-N 440.535 4.546 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1690278829 SCWRVGKCZSXJFA-QGZVFWFLSA-N 447.505 4.978 30 10 IJEE C=C(Cl)Cn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1690358667 HQCGMDZMMZTMCL-RDJZCZTQSA-N 440.897 4.657 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1690395001 UMSWVXJFFLDTAH-WOJBJXKFSA-N 425.552 4.688 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1690406686 ONVSBOGIDGKUOL-SFTDATJTSA-N 437.632 4.544 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1690509564 ADZINSXFTWJZMD-RXVVDRJESA-N 437.613 4.609 30 10 IJEE C=CCOc1ccccc1Cn1c(N(CCOC)[C@H]2CC[C@H](C)C2)nnc1C(C)(C)C 1690684270 CECIOPSZHVYFSC-FPOVZHCZSA-N 426.605 4.830 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C)[C@@H]1C 1690737751 WBMUTXCDSGUMFY-KBPBESRZSA-N 427.014 4.987 30 10 IJEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCC(C)CC2)n1 1693326329 BODDYKFQEJVTDQ-UHFFFAOYSA-N 436.585 4.557 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)C1 1695356126 DJXMJEIGFAKKQK-NRFANRHFSA-N 432.572 4.557 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1ncc(CC)s1 1705477916 UCIOQFFJLNUJEV-IEBWSBKVSA-N 437.613 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](c1cccnc1)C(C)C 1705479637 KLOONUPIYSEQTC-DENIHFKCSA-N 439.567 4.628 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCC2)C1 1705521877 OFXNTRWYKFMOSZ-IBGZPJMESA-N 427.593 4.534 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@](C)(CC)O1 1705620590 YOWDJMQQJMBALJ-OFVILXPXSA-N 426.580 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccccc1 1705705410 HJWODWQPNGZZET-LLBVYWAGSA-N 437.613 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CC(c2ccccc2)C1 1705710050 HMPWWFDCXLHLKJ-UHFFFAOYSA-N 430.556 4.522 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705749580 BBUHTINFABBVLE-CQSZACIVSA-N 439.869 4.517 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(Br)cs2)CC1 1705765835 CLIPRRMBJSEZOC-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2nccs2)CC1 1705766355 XWXPBMRLDGIXBV-UHFFFAOYSA-N 439.585 4.598 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CSCCS2)CC1 1705776365 DXDDNIDDQUZAHL-OXJNMPFZSA-N 448.633 4.808 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705792446 UAVAYCHJGYMDSW-RTWAWAEBSA-N 440.588 4.644 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)S[C@H](C)C1 1705817230 FPIIURWWFMEROR-CEXWTWQISA-N 449.665 4.689 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOCC(F)F 1705837254 VUVFSYBETQHZBL-UHFFFAOYSA-N 449.727 4.655 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1C[C@]1(N(C)C)CCSC1 1705861423 FOUDNEKHHVLNRI-XMMPIXPASA-N 425.646 4.566 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H]1C(C)C 1705866169 JGIMEOFTNSCQPK-GIVPXCGWSA-N 430.618 4.835 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CC(F)(F)F 1705942675 ZZUDHECYPYAVRC-UHFFFAOYSA-N 441.342 4.687 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OC)CCCCC1 1722282742 BRVXVMYAYFTPBN-HXUWFJFHSA-N 448.567 4.924 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](c1ccco1)N(C)C 1722282871 RUMWOUTUKZDXNE-MJGOQNOKSA-N 437.613 4.629 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722338801 SRSGWGFGXSXRNN-HYBUGGRVSA-N 436.600 4.706 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1722482000 DFRZSYWQDFKJKQ-WMZOPIPTSA-N 435.341 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cc(C)on1 1722494521 CNTHIIFAZRQSAN-FOIQADDNSA-N 445.926 4.652 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=O)N(C)CC 1722503152 REIZYSDRJMJUTB-UHFFFAOYSA-N 441.576 4.693 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722520802 MMWVLHYRJHGQQR-GHMZBOCLSA-N 435.313 4.980 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1722545339 BJUBOXNRFYICFB-DYVFJYSZSA-N 437.769 4.848 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722587761 ZTOWRXISVGVWQR-LLJLJFOGSA-N 445.007 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 1722590151 XLQXIAFKZQGTIF-UHFFFAOYSA-N 429.584 4.519 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722601964 NYAGESDKYCCLEC-QGZVFWFLSA-N 440.979 4.691 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccccc1F 1722644637 JDNHVTVGYFZPCK-UYAOXDASSA-N 432.609 4.891 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)cn1 1722662375 WTDGHAFROFGWLT-UHFFFAOYSA-N 430.512 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)Cc1cccs1 1722666262 MIQKXQDTNQXSQA-GOSISDBHSA-N 436.581 4.835 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1722670783 YMTNUKFZCKPAER-IBGZPJMESA-N 443.586 4.836 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnc(C)s1 1722677913 IDGBEKQSIVHJQC-UHFFFAOYSA-N 438.384 4.704 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)[C@@H]2C[C@@H](OCC)C2(C)C)cc1 1722706328 RETBUVATJVWPIN-DHIUTWEWSA-N 447.583 4.593 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC(C)(C)C1 1722736474 ZQFNRIOPIZYTAA-UHFFFAOYSA-N 430.618 4.898 30 10 IJEE C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCCCC1 1723793466 APDOAJMNHFKAKX-NZQKXSOJSA-N 434.632 4.954 30 10 IJEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2csc(-c3ccccc3)n2)n1 1724471839 DPBHYUZFGVWJRK-KRWDZBQOSA-N 443.580 4.611 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1)OC 1726853915 ICDPYSKVGSVAGX-KDSXSNECSA-N 448.571 4.791 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1727712678 FZNATNUZKIIRPD-RPWUZVMVSA-N 448.659 4.986 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740576677 CTEFEVLBJCAQTG-TZIWHRDSSA-N 443.636 4.554 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCc1cc2ccccc2s1 1740636378 YWDSQXCMVWVESN-UHFFFAOYSA-N 431.952 4.524 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1740662989 UKNIUPDFSFTXSZ-OAHLLOKOSA-N 425.989 4.688 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1740681939 GPYCBBSDBIBTGL-PMACEKPBSA-N 438.616 4.532 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[C@H]1C 1740688065 LQJHWABPEZQUPS-RTWAWAEBSA-N 438.616 4.677 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CC)C1 1740713318 CCAUJPPWFBEQSO-MRXNPFEDSA-N 433.419 4.700 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H]1CSC 1740756922 RRGGJASJFHFLOT-BDTNDASRSA-N 426.630 4.821 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CCCC1 1740760801 RVZYTHBEMQWOHK-WZONZLPQSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1CCO[C@@H](C)C1 1740764693 IVTGGGIDFWLOKV-SFTDATJTSA-N 439.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(Cl)ccc2C1 1740843508 JQKWHCYMVIRHHR-KRWDZBQOSA-N 432.996 4.821 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@@H]1C 1740866528 GWGWGEPFLBFJRQ-ROUUACIJSA-N 435.638 4.648 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1740869418 MOOLYKSUIPUVDD-HXUWFJFHSA-N 444.482 4.992 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1cccnc1OC1CCCC1 1740916347 KNSAXELZCDBRAC-UHFFFAOYSA-N 442.567 4.669 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1Cc1nccs1 1740924478 SQSMINYBCHVFIY-UHFFFAOYSA-N 437.594 4.924 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C2CC2)CC1 1748679486 CRCWCHNIPLWLPT-GOSISDBHSA-N 426.992 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCCCC1 1749120590 GITKFTLWZAUUML-KXBFYZLASA-N 448.409 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CC1(CN2CCOCC2)CCCCC1 1749158316 GSSHYKAIHFPNJJ-UHFFFAOYSA-N 431.669 4.552 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCC(C)CC1 1749165816 PIIZQGXKDZPMRB-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 1749231485 RXBXABRSJBAVSH-UHFFFAOYSA-N 432.996 4.509 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1749345499 KGHBEXCSGZGHLQ-JOCHJYFZSA-N 444.627 4.577 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1749429396 LGISPNMFEBIQHJ-QFIPXVFZSA-N 438.620 4.624 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCO[C@H](C)C1 1749531613 NSGYGOFRPUMLGM-WOJBJXKFSA-N 430.556 4.543 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCC2(C)C)C1 1749695674 HAERMXCEVXPECP-WOJBJXKFSA-N 440.588 4.570 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCc2cc(C(F)(F)F)ccn2)C1 1751276356 BJQQOANUWDZLIK-OAQYLSRUSA-N 432.494 4.722 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1752055489 IBXAPBNRYDPVEP-SJORKVTESA-N 436.947 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)[C@H](C)CC 1760099882 NGSNKNHTYJKRCS-UYXZNNOOSA-N 433.600 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(CCOCC)CCCC1 1760117032 VRKGJXCJTPQJND-SFHVURJKSA-N 430.543 4.592 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1760130721 LDXWJPATGXDGOT-LJQANCHMSA-N 442.677 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@@H]1C(C)C 1760291282 JDBKGRJIWYNYKJ-NYQDVAGCSA-N 442.991 4.660 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2c(C)noc2C)CC1 1760392338 MUYGMVPNZGZRRO-UHFFFAOYSA-N 435.572 4.964 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)NC(C)(C)C)CC1 1760399061 XLAOISIZAOTXTB-UHFFFAOYSA-N 437.632 4.950 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1760418514 UBBYEBWXQMTJIE-OAQYLSRUSA-N 447.549 4.980 30 10 IJEE C=CCCCCn1c(C)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1760421855 CDMDVWAPCLADQV-UHFFFAOYSA-N 427.902 4.942 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN(CC(C)C)C1 1760458821 VJUYXDLBNRCOMG-SFHVURJKSA-N 432.012 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCCC[C@H]2CC)C1 1760537164 KNOQRSOBABYWPU-DNQXCXABSA-N 437.632 4.553 30 10 IJEE CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C#N)CC1)c1cccnc1 1760878022 GUJXQLKFIFGNJY-HSZRJFAPSA-N 432.547 4.583 30 10 IJEE CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1766012960 CBCIDFGDWUFSMY-HXUWFJFHSA-N 440.592 4.746 30 10 IJEE CCCCc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2cccc(C#N)c2)cc1 1858828414 LBMPJXPOOKKCFW-UHFFFAOYSA-N 443.507 4.957 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 1862538481 HVORZWPGBROMNC-QHCPKHFHSA-N 437.536 4.891 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(C)cc2)cc1 1862554416 BYWZKMMHYHXOPE-OSPHWJPCSA-N 442.515 4.925 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(N(C)C)cc1 1862594580 GORJSDHUJPGLQA-FQQGMQMYSA-N 434.536 4.615 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 1862679981 REGCFWANRNYJTC-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1 1862680634 HAMZXWAQZWIPKG-GOSISDBHSA-N 432.289 4.823 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc3ccccc23)cc1 1862692171 GABDQQUVDRREFO-XMMPIXPASA-N 445.515 4.589 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(C)cc2)c1 1862698157 BFSZLDDEGFEMBQ-QFIPXVFZSA-N 433.529 4.886 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1F 1862712539 SYLPCLLONZBGMK-QFIPXVFZSA-N 437.442 4.733 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1F 1862739192 SLMMBMDPZFJPKM-IBGZPJMESA-N 430.407 4.642 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 1862748907 LXOASDZLHHXMBV-RFVSGWPVSA-N 438.455 4.891 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2Br)=C(c2ccccc2Cl)C1=O 1863452572 OITMPCFVRGCBIT-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1866764951 SXZRGAOSXWNHAX-MRXNPFEDSA-N 433.458 4.502 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1C 1870348245 PNNAGLXSYDAGSA-UHFFFAOYSA-N 439.559 4.830 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2ccc(C)cc2C)cc1=O 1870810049 IZSTWPUDRMAKEC-UHFFFAOYSA-N 448.563 4.902 30 10 IJEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871212987 GGNHEYVOQFDIJV-UHFFFAOYSA-N 429.520 4.894 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)c1 1871416373 YWUMNDTYMHVZEI-MSXFZWOLSA-N 446.455 4.686 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871435887 FULQSOATMSVHTP-HQXWYHRWSA-N 428.419 4.720 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccccc1 1872553267 BXJLKGRQCWRRPB-QFIPXVFZSA-N 446.638 4.631 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccccc1C(C)C)n2CCOC 1873656797 MPZBSKVXXYPKIY-UHFFFAOYSA-N 433.556 4.632 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)n1c(O)nc2ccccc2c1=O 1873936205 AWKBLLYCTSHOCT-FQEVSTJZSA-N 433.618 4.653 30 10 IJEE CCOc1cccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCO)c1 1874233898 HZYHXTQQSRCWAM-NLRVBDNBSA-N 446.576 4.582 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(=O)OC)cc1 1874244157 QJFLAWTZBOCEHR-MFKUBSTISA-N 438.597 4.818 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874252469 NWKIWUIIAODFFG-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccn2)cc1 1874347947 NXCHPLLEDNIARW-WGOQTCKBSA-N 429.549 4.755 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccncc2)cc1C 1874425813 BXVRPJKAIZWXFZ-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1F 1874436677 MJKRHLYOLKQFCP-ZVHZXABRSA-N 425.533 4.619 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(F)cc1F 1874503986 FRBLPVZCDOBGTB-BRJLIKDPSA-N 443.523 4.739 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)C)c1 1874513257 OHEPTFGRDQLNGD-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2CCOc2ccccc2)cc1 1874562509 ASRCLKZPSSCTEA-YZSQISJMSA-N 444.560 4.958 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(C)cc2)cc1OC 1874566970 XOEGAXKKNIDOEI-LFVJCYFKSA-N 440.569 4.566 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc2c(c1)OCO2 1875119695 IAPYONWZYKYQDB-DHZHZOJOSA-N 446.455 4.938 30 10 IJEE C#C[C@H]1CC12CCN(C(=O)Cc1cn(Cc3cc(OC)cc(OC)c3)c3ccccc13)CC2 1891888831 AJVRWBHUGUWLBV-QFIPXVFZSA-N 442.559 4.511 30 10 IJEE N#Cc1ccc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)o1 1951726511 CBSLTTVHZDTAME-JOCHJYFZSA-N 430.460 4.986 30 10 IJEE C#Cc1ccccc1[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 1951956857 SGDZGIHGBFBTPZ-RPBOFIJWSA-N 437.495 4.717 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](CC#N)C1 1985179634 QFEZJUIQEHBJFA-MHPIHPPYSA-N 445.563 4.702 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1C#N 1985180978 QYFQSWMOIRAKPL-PCYHDRSOSA-N 445.563 4.748 30 10 IJEE C#CC[C@@H](CNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CC1 1991313792 SVCQSAWXBRIVHE-RXFWQSSRSA-N 444.575 4.715 30 10 IJEE CON=C[C@@H](/C=N/OCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 2059951793 UPJMUANOWZKVRH-ZCJJABEZSA-N 449.743 4.624 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2ccc(Cl)c(Br)c2)C1 2063052173 QKESUUQYPXRYFJ-INIZCTEOSA-N 430.770 4.867 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1Nc1cc(Br)c(C#N)cc1F 2105974790 SXUCGEGTPKCHQK-VXGBXAGGSA-N 426.330 4.763 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(C#N)c(Br)c2F)C1(C)C 2105977601 CTXKQEXHFBIBAS-CYBMUJFWSA-N 426.330 4.907 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1cc(Br)c(C#N)cc1F 2118156347 JTLBLBSGIHCVMB-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1 2118196888 NTOKJZFAHAIJPV-QWHCGFSZSA-N 426.330 4.589 30 10 IJEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)N(C)c1ccc(C#N)c(Br)c1F 2118207465 KTNIILYXWFWCKM-ZDUSSCGKSA-N 428.346 4.932 30 10 IJEE CC(C)(C)OC(=O)NCc1ccsc1C(=O)Nc1cc(Br)ccc1C#N 2124688147 MZTCUOSKPHDPDB-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 2159125422 NGQOMXSESYAZRD-PMACEKPBSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CN(c2ccc(C#N)cc2Br)C2CC2)CC1 2174811409 XPEODOSCEDNJKW-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3ccc(Br)cc3C#N)CC2)C1 2193610945 SJLKMKOQQUJZLM-INIZCTEOSA-N 434.378 4.794 30 10 IJEE CCN[C@H](C#Cc1ccc(CC)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223317277 CPWSEWYQWMXGFK-JWQCQUIFSA-N 436.596 4.689 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2247913677 ZFGXBNDQUPVCSU-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2255535147 QPXJZBNDSKPYTE-WOJBJXKFSA-N 427.394 4.845 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3ccccc3OCc3ccccc3)cs2)OC1(C)C 2255702634 JIZHYGVQQWWYEO-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267591856 JBVBHAJUNNRGKZ-GOSISDBHSA-N 448.397 4.846 30 10 IJEE Cc1ccc(COc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1NC(=O)OC(C)(C)C 2278715620 YGUFKWYYNBQFJU-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE Cc1cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)ccc1CNC(=O)OC(C)(C)C 2279023427 WAZKDZXTBMXKQK-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2282143808 YUCIHQGTYGFOJT-MHZLTWQESA-N 449.400 4.506 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 2293335470 DHKHOURAYVPYLK-UHFFFAOYSA-N 433.302 4.665 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2296289301 QDGNCXAFLXDGLT-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300752587 MBPPJNOEQAFVAY-DHLKQENFSA-N 440.609 4.532 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2)C1 2301581237 XOZWOTJIJZPKCS-NRFANRHFSA-N 434.541 4.607 30 10 IJEE CCCN[C@@H](C#C[C@H]1CC1(F)F)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302312974 MPENTKGCWVFWIP-ACRUOGEOSA-N 436.543 4.513 30 10 IJEE C#CCOc1c(Cl)cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc1OCC 2313557580 GUXFCVYWTARDMN-UHFFFAOYSA-N 430.888 4.781 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(OCC)cc2)cc1OCC 2322083269 VPBLDEYZZDLBSW-UHFFFAOYSA-N 440.569 4.626 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCC(=O)OCC(C)C 2322481499 VXVRMMIHFYSXPM-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323603931 OOOBCIGIJRXTLD-UHFFFAOYSA-N 444.414 4.847 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OCC(=O)Nc2ccccc2)c(OC)c1 2323701127 MWHBUECTKCREKF-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(F)cc1)C2=O 2323992201 BZLYRMSFCOZIEM-UHFFFAOYSA-N 441.499 4.621 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(C)nnc1SCc1cccc2ccccc12 2325631654 XYHVSKPWTHVTSF-UHFFFAOYSA-N 448.548 4.940 30 10 IJEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OC 2325721949 NWHMQZIDKPZUOF-UHFFFAOYSA-N 448.269 4.968 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(OC)c(OC)c1 2328559517 UPATYASBDNCOIA-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cc(OC)ccc1OC 2328919108 MUIQEHVIBVRCMF-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 2330785560 HCUJEMVDONPLHW-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(F)cc2)c1 2330819871 VAPFKDRXCCBGIC-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1O 2330979968 VMZZWIDJKYASOG-QFIPXVFZSA-N 446.532 4.869 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(F)cc1 2331326997 YFLZLFAIJCJTSA-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2sccc2C)cc1 2331440996 KRBLPKGIUGPOPH-UHFFFAOYSA-N 427.599 4.768 30 10 IJEE C=CC[C@@H](Oc1ccc([N+](=O)[O-])c(Br)c1)[C@H]1CCN1C(=O)OC(C)(C)C 2335739399 UDCRQADBGJICAT-HZPDHXFCSA-N 427.295 4.690 30 10 IJEE C[C@@H]1[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339575425 WOGJTJVPZYOBDR-WXVNRZFOSA-N 444.381 4.893 30 10 IJEE CC1(C)OB(c2ccc(COc3ccc(Br)c(F)c3)c(F)c2)OC1(C)C 2369093876 BZGHKEAWRUTVAL-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CC1CCC([C@H](COc2cc(Br)cnc2C#N)NC(=O)OC(C)(C)C)CC1 2379817988 WEFNRQDBFGZSCS-KVULBXGLSA-N 438.366 4.814 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(Br)nn1C(C)C 2382020508 ODMLRNMQOCSSHW-GJZGRUSLSA-N 444.418 4.522 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 9171138 QDDUJKMRRGLBLB-UHFFFAOYSA-N 436.533 4.578 30 10 IJEE Cc1ccc(C(=O)/N=C(\Nc2cccc(C)c2)N2CCN(Cc3cccc(F)c3)CC2)cc1 32946210 XICPNELMYWGRSE-UHFFFAOYSA-N 444.554 4.869 30 10 IJEE COc1cc(/C=C2\S/C(=N/N=C\c3cccs3)N(Cc3ccco3)C2=O)ccc1O 47138007 UDCGJFJKTMWWLO-ZKQHZWNYSA-N 439.518 4.562 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 63393247 SYMRYZNNVZEYIT-UHFFFAOYSA-N 428.395 4.965 30 10 IJEE CCOc1c(Cl)cc([C@H]2NC(=S)N(CC)C(C)=C2C(C)=O)c(OCC)c1Cl 169933158 PJVLFTZQWOIHGH-MRXNPFEDSA-N 431.385 4.905 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2C)c1 169937213 MBOHSUPSDMVKNU-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 169960631 NNPZEASZNGTQBG-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(C)c1 169967257 ZFRKWQBWDOHXAW-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1 169984092 MVYYONYZQQDJNT-LJQANCHMSA-N 445.418 4.957 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170082087 VZELIRYGEDFQLR-JOCHJYFZSA-N 446.409 4.935 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2sccc2C)c1 170107590 YHCLXKQFWWPCPD-FQEVSTJZSA-N 443.565 4.849 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 170239668 ISAIHBITKVQISW-WNSKOXEYSA-N 429.447 4.932 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1F 170247573 CTSNEROTKQXMKT-JOCHJYFZSA-N 441.499 4.616 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccco2)c1 170296350 PZCYOLXTOZUDJS-QFIPXVFZSA-N 447.487 4.692 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2ccncc2)o1 170307805 VXOXJCRWPGVQIP-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(O)c1 170322562 FEIXRBUMHZPYEG-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170409841 IFSIIMNDUPFLOX-QFIPXVFZSA-N 428.444 4.723 30 10 IJEE CN=c1scc(-c2ccc(C)c(C)c2)n1N=Cc1ccccc1I 254506819 HOIHPDYVZFRGPX-UHFFFAOYSA-N 447.345 4.851 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)c2ccccc2I)C1 309935963 YFUNVDRXQMORHK-UKRRQHHQSA-N 426.298 4.545 30 10 IJEE N#Cc1ccc(CNc2ccc(I)c(Br)c2)cc1F 404102986 FHSJPARIQKTVJF-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 461655982 OFWMBNVHRIHOBQ-JOCHJYFZSA-N 440.551 4.894 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C(C)C)C(F)(F)F)nnc1-c1ccc(Cl)cc1 470793079 KZQWZHYDISKRMN-HNNXBMFYSA-N 432.899 4.580 30 10 IJEE COc1cccc2c1CCN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2 488362167 XKVZUYBJNLGIDT-UHFFFAOYSA-N 441.531 4.973 30 10 IJEE CCOC(=O)c1c(NC(=O)CN2CCC(C)(C#N)CC2)sc(Cl)c1-c1ccccc1 506040393 AWDBVLUBOIOGOF-UHFFFAOYSA-N 445.972 4.809 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 508956237 ODASAZVZIGLPGV-GOSISDBHSA-N 439.585 4.606 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2csc(-c3ccccc3)n2)cc1 522427921 OAAAMWXRPZXAPQ-UHFFFAOYSA-N 432.549 4.946 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)cc1 526656995 FJIPTMURRHYJLB-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE CCN(C1=C(Sc2ccccc2)C(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 526680397 KMELHONQKPJPHG-UHFFFAOYSA-N 425.513 4.962 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2/N=C\c2c(Cl)cccc2Cl)o1 526830010 LAABLFNLUHORQJ-WNFQYIGGSA-N 425.297 4.529 30 10 IJEE Cc1ccc(-c2nc(NC(=O)[C@@H](C)n3cnc(C#N)n3)sc2-c2ccc(C)cc2)cc1 539503705 ZAGOCKRAZAIMFQ-MRXNPFEDSA-N 428.521 4.757 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 549965095 VPUADGHTQYLAHT-UHFFFAOYSA-N 439.610 4.819 30 10 IJEE O=C(O)c1ccccc1COc1cccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)c1 731564749 RXORKRZUCPVDHU-CSKARUKUSA-N 443.377 4.979 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 745234294 AZUZTRSKOLBJAX-DBVUQKKJSA-N 426.463 4.564 30 10 IJEE Cc1ccc(NC(=O)N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)cc1Cl 772239992 HHAFZNIYBHXRQR-UHFFFAOYSA-N 433.339 4.554 30 10 IJEE CC1(C#N)CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1 780843296 JDEYGKQJQRCCLX-OAQYLSRUSA-N 436.556 4.741 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)[C@@H](C#N)c3cnc4ccccc4n3)c2C)cc1Cl 792099935 JZQKBDKBRMPANM-IBGZPJMESA-N 429.911 4.813 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 800629912 ZSBADLYWSLKKSI-UHFFFAOYSA-N 435.524 4.680 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 800774935 GWDSQGUKIHGKMY-KRWDZBQOSA-N 439.585 4.606 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](C)C2(CCCCC2)C1 800787851 PEBVWAQCKMETSN-FQEVSTJZSA-N 437.588 4.687 30 10 IJEE CCOc1ccc(/C(=N/OCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 821228485 LSZJZDILJRJZJE-CYYJNZCTSA-N 432.520 4.694 30 10 IJEE Cc1ccc(CSc2nnc(NN=Cc3ccccc3OCc3ccccc3)n2N)cc1 1083968646 GYMDHTVISYOLIR-UHFFFAOYSA-N 444.564 4.618 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Br)c(C)cc1C 1124607799 PNDDYWCROXZESS-UHFFFAOYSA-N 433.298 4.809 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3Sc3ccccc3)cc2C1=O 1126022357 UVFXNRIWSPMAFN-UHFFFAOYSA-N 428.513 4.550 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1126236596 YISSIAKEISIDSM-GIVPXCGWSA-N 428.573 4.826 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(C(F)(F)F)cc1 1127328305 IXTLVXLGVJKCSH-FQEVSTJZSA-N 441.453 4.748 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](c3ccc(F)c(Cl)c3)C(F)(F)F)C2)c(F)c1 1128385491 BAJCRXMTOPEANY-ACJLOTCBSA-N 443.803 4.736 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NC3(c4c(Cl)cccc4Cl)CCC3)cc2C1=O 1128599648 LWOHZGOYMDQKKL-UHFFFAOYSA-N 429.303 4.585 30 10 IJEE C#CCC1(NC(=O)c2ccc(Br)cc2I)CCCCC1 1134293462 NFPQZEVXZAXNLR-UHFFFAOYSA-N 446.126 4.510 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 1136986174 IEWIVXKLRPHFQP-HSZRJFAPSA-N 440.421 4.839 30 10 IJEE CC(C)CCC(=O)NCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1137055194 HMZGOEBPWHJWCW-UHFFFAOYSA-N 433.430 4.860 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)cc1OC 1160190666 KGLRRQIUSMLIIJ-ZRDIBKRKSA-N 444.572 4.521 30 10 IJEE Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)ccc1F 1165380898 FVLFVXVKGIMSKR-UHFFFAOYSA-N 429.476 4.680 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1)c1ccccc1 1200800950 SRDSUDJKSZREAZ-OAQYLSRUSA-N 427.570 4.754 30 10 IJEE CC[C@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1210942016 GWYLJYDCJBTTHB-AWEZNQCLSA-N 426.460 4.541 30 10 IJEE C=C(C)CN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1214432257 LVEDVGURJAFSEM-UHFFFAOYSA-N 445.585 4.858 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1ccc(OC(F)F)cc1 1219084655 VCBIWOVUYYZDPF-UHFFFAOYSA-N 441.272 4.980 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(Br)cc1 1222670091 IDHPZAVMFMRWEY-GJZGRUSLSA-N 440.124 4.863 30 10 IJEE C=CCC[C@H](NC(=O)NCc1nn(C)cc1Br)c1ccc(C(F)(F)F)cc1 1230693402 HNASSXIPLWOUSY-HNNXBMFYSA-N 445.283 4.708 30 10 IJEE CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCc1ccc(C#N)c(Cl)c1 1235706905 FHYPHUBOGXAHFP-UHFFFAOYSA-N 427.719 4.570 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)CCOc2ccc(Br)cc2)cc1OC 1264043968 ZRWIZBLBLKHXOA-SDQBBNPISA-N 446.341 4.573 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)CSc4ccc(Cl)cc43)cc2C1=O 1268941302 NSUDSVPGXGQRRJ-ZDUSSCGKSA-N 426.925 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](SC)C(C)(C)C 1286419066 WOWZJTWAHDZZLD-LJQANCHMSA-N 446.567 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CC(C)(C)NC(=O)OC(C)(C)C 1286572002 WXSANUDTKRLPGI-UHFFFAOYSA-N 431.556 4.790 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1286626509 YDXSYELNBWJFJC-NRFANRHFSA-N 444.023 4.797 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H](C)C(=O)NC 1286683906 BMYNISYXCVUAFK-HNNXBMFYSA-N 446.020 4.988 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1CCc1cc(Br)ccc1F)C1CC1 1286736362 DKPRDSGNDMTKCC-LJQANCHMSA-N 449.368 4.819 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1 1286760931 UTYGOJDETDZLDI-UHFFFAOYSA-N 447.436 4.637 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(F)F)c2)C1 1286803857 GYMNSVXOQOJXBX-SFHVURJKSA-N 445.901 4.761 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](c2ccco2)C1 1286835304 UEWMZGPSVZKAAL-HXUWFJFHSA-N 438.597 4.980 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CCCC1(C)C 1297186122 GOYOECYPQZBZMD-OAQYLSRUSA-N 430.545 4.833 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1300384086 KYRXNJHQVJLEHU-FHWLQOOXSA-N 428.602 4.560 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC[C@H](C)C1 1300734540 WSZBCMZJTMEINB-PMACEKPBSA-N 442.629 4.810 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCc2c[nH]nc2C)CC1 1301135352 JZSSVVWFQUJWGX-UHFFFAOYSA-N 436.629 4.946 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1csc(CC)n1 1301186286 WIWFSQIATRKUEM-UHFFFAOYSA-N 449.584 4.606 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1C[C@@H](C)CN1CCCC1 1301351407 SEFVJQCLGONRBI-FQEVSTJZSA-N 425.596 4.999 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@H]1C(C)C 1301354634 FDMDLRCNWQQKID-DHLKQENFSA-N 449.574 4.657 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1Cc1nc(C)cs1 1301405779 KNDDBHWUHBTDCD-UHFFFAOYSA-N 435.553 4.595 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)ccc1F 1301411057 RWRFZAUDBZANNQ-NRFANRHFSA-N 428.483 4.674 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCS[C@H](CC)C1 1301530966 BZKNOPZIBJWKJC-OAQYLSRUSA-N 426.630 4.956 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@](C)(O)c2ccsc2)cc1 1304431175 CNZDLAOLYKMHSF-JTSKRJEESA-N 441.626 4.586 30 10 IJEE CC(C)[C@@H](NC(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O)c1ccc(F)cc1 1307360112 CPZQQLKKCZQWKC-OAQYLSRUSA-N 443.931 4.754 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc2c(C(=O)OC)cccc12 1308999670 VRZVGMJVZQLMEI-UHFFFAOYSA-N 435.954 4.718 30 10 IJEE C#C[C@H](NC(=O)Nc1nc2c(OC)cc(Br)cc2s1)c1ccc(F)cc1 1311308169 SSRQLWBVTGXMDQ-ZDUSSCGKSA-N 434.290 4.703 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)C(C)C 1311388432 OCLBYXGCMHDITG-IFMALSPDSA-N 441.513 4.984 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] 1313216593 BEJCGJJRIHCKJI-UHFFFAOYSA-N 444.738 4.970 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc(C#N)ccc2C)c(C(=O)OC(C)(C)C)c1C 1352400420 ABLQNWYBHHDVLK-UHFFFAOYSA-N 428.510 4.621 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccnc(OCC(F)F)c2)cc1 1357502807 GAKMFYPDOBLQIA-UHFFFAOYSA-N 425.391 4.650 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1358904858 NDPDACVEWRDURY-IZIIKQMZSA-N 436.600 4.842 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](c1ccc(C)cc1)N(C)C 1358941810 YTEMXIAUXYLNBI-UGKGYDQZSA-N 447.652 4.812 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359085828 AIOMMIWQPASSRB-LJQANCHMSA-N 449.368 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1359096424 BKHJPLMRVJBKAT-ZWOKBUDYSA-N 440.617 4.779 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)C1CCCCC1 1359114053 WXLANVQUKNYAAE-DHLKQENFSA-N 440.588 4.524 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359117686 OQXWZEYOHFIRFT-ZQIUZPCESA-N 444.885 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H](C)C2)CC1 1359175387 JUZPWMWLMCWUJX-NRFANRHFSA-N 432.616 4.731 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCC[C@@H]2CC)CC1 1359180025 OSOGUAVZSDTDLY-QHCPKHFHSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359191126 OCCUPBPGKIOWPU-IBGZPJMESA-N 431.625 4.717 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)(C)C)CC1 1359209936 DSZIUCITBKBZLM-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359227597 FWJVSYPZNAQIKQ-KRWDZBQOSA-N 442.913 4.894 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1SCCc2ccccc21 1359232823 GMABKMLSJMDXCG-SFHVURJKSA-N 444.402 4.689 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1c(C)noc1C 1359234618 VCRWXTNZUSCDOF-ZDUSSCGKSA-N 430.350 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1359235244 SIKIMIUFIIDISP-NRFANRHFSA-N 436.991 4.526 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCO[C@H](C)C1 1359243553 VMNMQFLBJBEVOW-RTBURBONSA-N 432.996 4.689 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CC=CCC1)C1CC1 1359253507 IPFCFHYMACFCHN-UHFFFAOYSA-N 448.398 4.581 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H]1CCSC1(C)C 1359261161 YKGBPTUCXJHKDB-RBUKOAKNSA-N 430.593 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCC1 1359262426 SMERTLARDLXDQC-UHFFFAOYSA-N 428.005 4.948 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC(F)(F)F)cc1 1359270760 ARSJVTQIOOQETE-LJQANCHMSA-N 436.478 4.839 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(Cl)cc1OC 1359273852 QSAMJORWFCVQLA-UHFFFAOYSA-N 429.977 4.523 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@](C)(O)CCC(C)C)C1 1359315110 OFONOTCOQQTYPE-CJFMBICVSA-N 438.572 4.660 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccnc(OC2CCCC2)c1 1359533643 FUBHZHHJTUVOAM-RUZDIDTESA-N 436.604 4.761 30 10 IJEE COc1ccc(C(=O)N2CCC[C@H](C(=O)O[C@@H](C)c3ccc(C#N)cc3)C2)c2ccccc12 1435360366 AHVNJMICJYHLIC-RXVVDRJESA-N 442.515 4.877 30 10 IJEE CC(C)c1ccc(-n2cc(O)c(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)n2)cc1 1446669522 DOOTTWDTLFPOPP-UHFFFAOYSA-N 446.898 4.664 30 10 IJEE Cc1ccc2ncc(C#N)c(OCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)c2c1 1459098053 BSJZWDHAKIWSLI-UHFFFAOYSA-N 439.519 4.916 30 10 IJEE COc1ccc([C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C2CC2)cc1 1459823971 GAHVZKFLDXJPKF-RUZDIDTESA-N 446.526 4.793 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CC1 1462566356 PLBGCOXYPFZSIK-OTNPHJDUSA-N 430.976 4.599 30 10 IJEE C#C[C@@H](NC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)C1CCOCC1 1470311300 DVSOASOMKNPSAY-JOCHJYFZSA-N 436.939 4.532 30 10 IJEE C=C[C@H](CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)c1ccccc1 1471738983 SSIHTEQKWZIFGK-BPQIPLTHSA-N 426.479 4.508 30 10 IJEE C#CCN(C(=O)c1ccc(-c2ccccc2F)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882584 QILURUQJDHWJKA-UHFFFAOYSA-N 426.488 4.561 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccc(C#N)cc2)[C@@H](c2cccc(Cl)c2)C1 1473417381 BXLFACVBECWCPS-FGZHOGPDSA-N 441.959 4.539 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cc(C#N)ccc1OCCOC 1476729182 QYINTAVZCKHFAI-UHFFFAOYSA-N 446.301 4.555 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(OC)C1CC1 1507517771 JKJOWZZFBGRLGC-GYCJOSAFSA-N 435.597 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1507519413 ZXZWEGGCISYFJZ-SJORKVTESA-N 439.560 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)C(F)(F)F 1507521646 APHIABPKMFMJAM-GFCCVEGCSA-N 429.284 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C(C)C)N1CCCC1 1507521689 PMLRNXXCHMJXCU-DYXWJJEUSA-N 439.673 4.710 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1csc(C)c1 1507649556 YBJPDZUEGAWVFL-UHFFFAOYSA-N 439.382 4.507 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCO[C@@H]1CCCC[C@@H]1C 1507668902 ODCRXBAXFLOYLH-XUZZJYLKSA-N 441.579 4.552 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSC(C)(C)C1 1507747246 WFGFIHMMWHCTTH-IBGZPJMESA-N 444.670 4.733 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(CC)Cc1ccccc1C 1507802576 AXTJMLCTOYPZEQ-ZCYQVOJMSA-N 431.584 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1C(F)(F)F 1507821519 FDGASMTUOZMBNJ-UHFFFAOYSA-N 432.494 4.609 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507827311 HFWWDMHICBJPRW-GHTZIAJQSA-N 439.604 4.823 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)c2cccs2)CC1 1507880885 LFMRFLIVSWIRJG-HXOBKFHXSA-N 442.560 4.683 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CC=CCC1 1507916231 MJKSOFFESNUIKU-OAQYLSRUSA-N 449.647 4.847 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 1507930609 YDSJHLXAJUNBGU-XMMPIXPASA-N 449.643 4.675 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1507935488 QMFROKZHZRCBCA-UHFFFAOYSA-N 441.595 4.891 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C(C)(C)C)CC1 1507939259 KBYNNUVIZFPEIV-UHFFFAOYSA-N 433.547 4.823 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)Nc1ccccc1 1507973311 ZJTJWQDWMMQLOW-KRWDZBQOSA-N 435.597 4.782 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1 1508008517 GFDSSFCRWLXHGB-UHFFFAOYSA-N 432.597 4.557 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1cc(C)nc(N2CCCC2)c1 1508012835 DYBFBDFLNRXBBQ-UHFFFAOYSA-N 432.547 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCO[C@H]1C(C)C 1508019350 FXKQXOQNBLBLPC-MBSDFSHPSA-N 430.543 4.777 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1508071150 UGXMIKCUKGROIT-GOSISDBHSA-N 444.988 4.898 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)F)C1 1508152532 NDMPYDJAFIZZTJ-HOTGVXAUSA-N 440.535 4.958 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1508154653 ZNGGKWYOXFQDPF-GOTSBHOMSA-N 449.624 4.863 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 1526307314 FOPGIECIIJRMGD-UHFFFAOYSA-N 441.510 4.972 30 10 IJEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1526517208 FULVGNGGAGZLPV-UHFFFAOYSA-N 436.500 4.723 30 10 IJEE C#C[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)C(C)(C)C 1528107535 CKIOWDLXNABUGY-INIZCTEOSA-N 432.471 4.792 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)NCc3ccc(C)c(C#N)c3)c2)cc1 1534456644 URKWBNOESIMGEI-UHFFFAOYSA-N 426.516 4.897 30 10 IJEE C#CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)[C@@H]1CCCc2ccccc21 1536279107 JJVNCPGXBCAMPU-LOSJGSFVSA-N 432.564 4.867 30 10 IJEE CC[C@H](C#N)N(CC)C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1538447395 HBEMMHKBLJQGMS-GDBMZVCRSA-N 440.594 4.836 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(C)C)C1 1539118699 DLTGZSKUVFVTIX-NHCUHLMSSA-N 443.636 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1ccc(OC(F)F)c(OCC)c1 1539556947 XACBMKCZLASSLM-XMMPIXPASA-N 444.526 4.976 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@H](C)C1 1539620573 MBGXWZRRAGDRFT-YYDVJCTNSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)CCSC 1539636643 LNDAWTOFWRDBDG-JLMWRMLUSA-N 432.609 4.567 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccoc1C 1539728762 DNCJQYUVYSFQTR-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1539813099 YGCISRBGKLQDLM-NRFANRHFSA-N 449.407 4.520 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2cccc(C)c2)CC1 1539896685 QHDVQTURZPKRSP-DHIUTWEWSA-N 438.616 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H]1c1nncn1C 1539926076 HNNYKLMPXXDQNG-OAQYLSRUSA-N 433.604 4.526 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1539982747 QIGOVMSILSSKSE-WOJBJXKFSA-N 427.568 4.588 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(F)cn1 1540154057 OOVCRPVZWSHBBL-UHFFFAOYSA-N 446.299 4.608 30 10 IJEE CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)N1CCCC1 1545996709 CDOYTYDAAQJKFK-JOCHJYFZSA-N 441.023 4.527 30 10 IJEE C=CCn1cc2ccc(NC(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)cc2n1 1558514866 UXGZVTLUBAFENL-UHFFFAOYSA-N 437.569 4.987 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CCCCC)CCC3 1559324661 BSKDAVCULYHZKS-UHFFFAOYSA-N 433.643 4.654 30 10 IJEE N#Cc1c(NC(=O)CCN2CCC[C@@H](COc3ccccc3Cl)C2)sc2c1CCC2 1559721928 DWBGBGGKSNOLPZ-MRXNPFEDSA-N 444.000 4.881 30 10 IJEE CCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C(=O)Nc1ccccc1C 1559791354 AKVKMVKVTLBJSF-QGZVFWFLSA-N 426.948 4.588 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C(=O)OC(C)(C)C 1566412275 LKBQFMJFIATKGH-OAQYLSRUSA-N 430.907 4.555 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 1570214852 TZBIWVGJHJIGQM-UHFFFAOYSA-N 434.290 4.753 30 10 IJEE CN(C)[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 1587292549 BYKQONOPQGZSBN-DEOSSOPVSA-N 433.939 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1cscc1C(F)(F)F 1587673294 MQQINFQPEFHXHC-ZDUSSCGKSA-N 438.450 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1C[C@H]1c1ccccc1 1587678526 UBDOGYZMZJRCMJ-QESAQDPVSA-N 449.599 4.612 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC)c1 1587689615 NGXDJHIJISZPQU-KRWDZBQOSA-N 447.608 4.598 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCO[C@@H](C)C1 1588985110 OESIKDYOYHXSSH-HNNXBMFYSA-N 447.029 4.795 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1593788700 CQCVAQSCNXPNTQ-SFHVURJKSA-N 433.522 4.722 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C=C)CC1 1594788769 STLJIEQCXHDGLI-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CCSC(F)(F)F 1595075300 CKSVBOYSNYSSHZ-UHFFFAOYSA-N 449.502 4.794 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@H](F)C1 1595275816 PUVFLTSLEBWBIV-KBPBESRZSA-N 443.386 4.546 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1597190724 LJHSIZXVTYXHDL-GHTZIAJQSA-N 431.363 4.902 30 10 IJEE CSc1cc(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@H](C)CC#N)ccn1 1620231729 FDCQXKNHCIXYFG-MRXNPFEDSA-N 445.552 4.504 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2cc(Br)c(F)cc2C1 1620633114 IANYQCVIENUNEU-CQSZACIVSA-N 437.378 4.611 30 10 IJEE Cc1ccc(C2(NC(=O)c3nc(O)c(C#N)cc3C)CCCCC2)c(Br)c1 1626995340 OYJZFGMZZVMXDA-UHFFFAOYSA-N 428.330 4.628 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3ccccc3)c3ccc(OC)cc3)n[nH]2)c1C 1629084843 VDNJFWLTCNBMPM-VWLOTQADSA-N 441.535 4.604 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)C(F)F 1637657307 SWPGSWVIAYZHMV-VLIAUNLRSA-N 448.897 4.806 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@H]3CCN(c4cccc(Br)c4)C3)n2)c1 1639841258 DFRRUFWANRXLJI-KRWDZBQOSA-N 436.313 4.594 30 10 IJEE CCOC(=O)c1c(NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)sc2c1CC[C@H](C)C2 1643522853 GJATYBBAYOZRCY-JKSUJKDBSA-N 439.581 4.553 30 10 IJEE Cc1cccc(-c2nnc(SCCC(C#N)(c3ccccc3)c3ccccc3)n2N)c1 1651861604 FMRIESHBNBQQQD-UHFFFAOYSA-N 425.561 4.959 30 10 IJEE C=CCn1c(SCC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)nnc1-c1cccc(C)c1 1652409407 PXZORVBKXVPCTJ-UHFFFAOYSA-N 446.532 4.682 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 1653110031 JHQQPVYQUOLLOZ-CYBMUJFWSA-N 445.372 4.621 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1657178614 CSFRVQGPIUTMDV-UHFFFAOYSA-N 426.944 4.893 30 10 IJEE C#CCN(Cc1ccccc1OCCCCO)[C@@H]1CCOc2ccc(Br)cc21 1657513097 CJQNVJKVFYZKHK-OAQYLSRUSA-N 444.369 4.559 30 10 IJEE CC#CC[C@@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 1657605559 WJGAOYOYMOIBBK-DEOSSOPVSA-N 425.532 4.565 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)CCCCC1 1658015614 NFRIQWFNDDKBAW-UHFFFAOYSA-N 433.618 4.960 30 10 IJEE C#CCCCCCCN1CCC[C@H](CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 1660257145 LMFAFEGZCHQXBZ-NRFANRHFSA-N 436.637 4.861 30 10 IJEE COc1ccc(CN(C2CCCCC2)S(=O)(=O)CC2(C#N)CCCCC2)cc1OC 1660979191 IAHUIWGOURGTMW-UHFFFAOYSA-N 434.602 4.642 30 10 IJEE C[C@H]1C[C@H](CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CN1Cc1ccccc1 1661200750 DNHWZWMHKVRZLT-WMZOPIPTSA-N 446.473 4.879 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 1667046220 FTPMFEBYDDGQKY-UHFFFAOYSA-N 426.335 4.826 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1670132460 QAVHVTCUQIIRRR-VIFPVBQESA-N 448.264 4.977 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 1671187211 NEMNRZUMFQXZAA-OAQYLSRUSA-N 435.568 4.566 30 10 IJEE C#C[C@H](NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 1671363105 KEQIUAOSOLDQEW-INIZCTEOSA-N 446.256 4.850 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)C1 1671841538 AUMLYTGNKRHKHA-FQEVSTJZSA-N 439.581 4.559 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 1675409389 NQIYYCHANPTTCA-HXUWFJFHSA-N 426.358 4.838 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 1678801734 IKDVCAPFWQBGJI-OAHLLOKOSA-N 447.988 4.819 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(F)cc1 1680225278 PZAYWMRFGQCYIO-SFTDATJTSA-N 429.333 4.973 30 10 IJEE Cc1ccc(-c2cccc(CNC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c2)cc1 1680356753 HZAVBNOZCRSCGJ-UHFFFAOYSA-N 428.511 4.705 30 10 IJEE Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 1680622437 GAZNSABYQXQXKJ-SNDHGLFQSA-N 432.568 4.929 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C)c1ccc(Cl)cc1 1683703024 CKIYVKFFAPLMIC-OFNKIYASSA-N 428.923 4.990 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CC)CCOCC1 1689838038 RDPBLFBNPWJJPV-QGZVFWFLSA-N 445.405 4.681 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)CCC1CCOCC1 1689883009 UIXGDIRIAWVNBH-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C2CC2)c1 1690056040 CXVNZVIQUJIJHV-DNQXCXABSA-N 430.596 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC1CCN(Cc2ccccc2)CC1 1690268465 MIMIOEDQXWPYFN-UHFFFAOYSA-N 444.627 4.579 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2c(ccnc2N(C)C)C1 1690279686 YDNFKWWGZXBBOZ-UHFFFAOYSA-N 443.382 4.852 30 10 IJEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccccc1C 1690351070 HHIFPQWGCRAAFG-INIZCTEOSA-N 429.977 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1690436233 OIWITMDLJWKABS-UHFFFAOYSA-N 427.637 4.594 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690468268 WWHWSJUGZRANJK-OAQYLSRUSA-N 434.588 4.639 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1690542437 OTDMSDQFEHLLFW-FQEVSTJZSA-N 443.567 4.788 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1CC(C)C 1690563388 PSNSMIDILQNOSF-UHFFFAOYSA-N 428.378 4.895 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2cccc(F)c2)C1 1690709298 FMHYDHSLBJICLY-JOCHJYFZSA-N 426.580 4.909 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](COCC)C1 1705526267 CSEVDOCCFRFRHI-LJQANCHMSA-N 426.630 4.942 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1ccccc1F 1705575871 BFFOJSJIHJTYTJ-LJQANCHMSA-N 446.595 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC)c1ccccc1 1705606163 NAEBQLXXVXKOIC-INIZCTEOSA-N 426.362 4.689 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1705654333 DUPDRDDBSGPMRX-HZPDHXFCSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705670361 QVGUIGOREVKWRT-UNIVCBNLSA-N 436.600 4.787 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1705721903 IBEKGPHQAJGYAG-NRFANRHFSA-N 431.378 4.599 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1705739317 BUMBTTVYFXVBHE-RXVVDRJESA-N 430.980 4.872 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1705765761 ZOAYUZDCQZXINV-BGYRXZFFSA-N 443.039 4.908 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2occc2C)CC1 1705766124 NQGPCOXYYDZAJW-UHFFFAOYSA-N 443.345 4.822 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1705770653 PEWXMOCKSHSHQF-UHFFFAOYSA-N 447.583 4.656 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1CC 1705856859 JBWONXHMVUMNGB-RTWAWAEBSA-N 434.588 4.706 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H](OC)C(C)(C)C 1705857441 VQLHAYLUVPODHS-JOCHJYFZSA-N 437.588 4.546 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccccn1 1705944017 RWGQNASKFAUTTM-UHFFFAOYSA-N 432.553 4.551 30 10 IJEE CCCC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1709536991 HLASTEONHTVFSB-XMMPIXPASA-N 425.552 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCCN1CCCC[C@H]1C 1722277203 KSZOFCYJQMXHAW-HBMCJLEFSA-N 441.595 4.670 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](OCC(C)C)C1 1722314770 CZPRXJSMRNWCOF-NRFANRHFSA-N 433.556 4.655 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCCCC1 1722333625 MTVHTHWVIVISIC-UHFFFAOYSA-N 429.609 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1722343496 HFQCRGLLUKKRLJ-RBUKOAKNSA-N 448.640 4.567 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccsc1)N(CC)CC 1722350627 BQXQVXLESXHRLT-OAQYLSRUSA-N 442.032 4.736 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](Cc1ccccc1)OC 1722404927 GXQPHRKECRZSKC-UGKGYDQZSA-N 448.636 4.849 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(F)F)C1 1722483638 CRTRHWVPMLJAOG-OAHLLOKOSA-N 448.315 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722505188 IXQZKBMIPJJZDZ-UWJYYQICSA-N 443.954 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1C(F)(F)F 1722516319 VSCSEMRHXMIQGO-IBGZPJMESA-N 438.494 4.998 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1722520096 SPSYREYLEVDBGX-YMPZKCBVSA-N 437.632 4.917 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1722520786 LRTXAHKQUMYNHO-UHFFFAOYSA-N 427.268 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(-c2ccsc2)nc1 1722636260 ZSPWHZOJVCIXAS-UHFFFAOYSA-N 432.509 4.647 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC(F)(F)CO1)C1CC1 1722654064 PLVUXFUSBQNNMY-MRXNPFEDSA-N 440.947 4.803 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1cc(Cl)ccn1 1722684505 YGRYVKIFRQJMBB-UHFFFAOYSA-N 427.936 4.612 30 10 IJEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)CC1 1723782074 CAGZOWOEBVHFTA-HXUWFJFHSA-N 448.640 4.678 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)CCc1ccccc1 1740583746 YIHBCYNAKGALDP-UHFFFAOYSA-N 440.389 4.529 30 10 IJEE C#CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(Br)cc1 1740597427 SZXVQQDBOJIVQA-INIZCTEOSA-N 447.287 4.641 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)[C@H](C)CC 1740728017 JHWNQALIVUIGOH-OPAMFIHVSA-N 434.415 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1CSC 1740761639 XSVMTYSHASCBEX-CBQOVEMMSA-N 447.048 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1740762013 QPEFLXYTKNANCR-XQFWAAQXSA-N 442.604 4.929 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCC2(F)F)CC1 1740819191 HJFSFVIAAYCVFC-GOSISDBHSA-N 432.515 4.944 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1740835660 NIVKTXMJBKMINN-OFNKIYASSA-N 425.533 4.603 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1Cc1c(C)coc1C 1740915138 VQDVYIDRMAIITF-UHFFFAOYSA-N 438.535 4.971 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCOc1ccccc1C 1740922031 QYPWZGGAAKJFQD-UHFFFAOYSA-N 433.581 4.925 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC2(CCCCC2)C1)C(C)C 1740925771 DQARCMUSNRZGLG-DHIUTWEWSA-N 441.664 4.989 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740937698 MMKMRZSYYGFZFP-AWRGLXIESA-N 428.577 4.696 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC1(OC)CCCCC1 1740938044 WKBZJXBTHNZQJW-UHFFFAOYSA-N 435.572 4.826 30 10 IJEE C=CCn1c(N2C[C@@H](C)C[C@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)nnc1C(C)(C)C 1740950137 QDILACVKCFAZLT-WHEQGISXSA-N 447.942 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1748657782 JGJHBMSLWVIRDK-LEDOBFOHSA-N 431.584 4.793 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1749126880 HPKJXUCSWRYHJR-NZQKXSOJSA-N 440.588 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1749134139 VEEVCGYGYOVTKO-AOIWGVFYSA-N 440.535 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)CN2CCCC2)CC1 1749287839 CJSVUBTZJVRYGR-UHFFFAOYSA-N 445.558 4.825 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)CC1 1749342255 XGNABGKWWDRWPU-FQEVSTJZSA-N 434.943 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1749358187 HHWBMLMNZFWWCX-INIZCTEOSA-N 425.606 4.862 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H](C)C1 1749429784 OQXKACCCPMCQQN-XUVXKRRUSA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)c1ccc(F)cc1)C1CC1 1749512104 SKDXJQKQXAMDMO-LJQANCHMSA-N 427.911 4.675 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@H]1C 1749537765 ALPOSQVETMONBX-NQIIRXRSSA-N 437.975 4.859 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCN(C)C1CCCCC1 1749540743 AVSXLRLVPMSISE-UHFFFAOYSA-N 448.590 4.936 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCn1cc(Cl)cn1 1749584043 DREOVNRELSLWPU-UHFFFAOYSA-N 436.947 4.632 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@H](COC)C1 1749749860 SFEYPEWMZCOYQD-IBGZPJMESA-N 437.613 4.665 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C1CCCCC1 1749756124 SOOFRZFGFSNGLX-NRFANRHFSA-N 428.602 4.869 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCC1(C)C 1760195118 WVSVMVFJKDIOPK-RTWAWAEBSA-N 434.584 4.716 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCCC(C)(C)C 1760197290 SDUYESSQULBVDY-UHFFFAOYSA-N 443.389 4.615 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)c1cccs1 1760220698 SCZJNCGSUGNLIM-UHFFFAOYSA-N 438.547 4.649 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC[C@@H](O)C1 1760288375 AOBKLAMXEUNYAM-BTKWVRSESA-N 436.600 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCC1 1760291272 IOVGVILVNXNVRR-JOCHJYFZSA-N 432.399 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC)(CC)C1 1760325288 QCSRRNPNXVYEMU-XXBNENTESA-N 442.579 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1760330719 CWQRJUNYRNIFJF-NRFANRHFSA-N 434.462 4.699 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760370726 BULDVGGJSQINHE-HNNXBMFYSA-N 448.358 4.636 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1760424265 BKFUEIZBMGMCCW-HXUWFJFHSA-N 435.572 4.999 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1760465558 LINXMQYBFXJILF-CVDCTZTESA-N 439.604 4.775 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CC[C@H]1C2 1760561592 GLKRJJXFTFJIKD-RDJZCZTQSA-N 433.419 4.924 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](F)(C#N)C1 1761553131 DKZQMCQBGMBLQG-AOMKIAJQSA-N 433.478 4.815 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)SC1=Nc1cccnc1Cl 1772733039 JDAAXBPRVHYZAJ-XVYQGLCOSA-N 445.928 4.551 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nnc(C)s1 1772736774 JDJWVBGJIWJMTQ-YRXZHPSBSA-N 441.494 4.639 30 10 IJEE CCCCCCn1c(O)c(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c(C#N)c1=O 1772740941 NSGAVVUXPVXLGW-UHFFFAOYSA-N 428.405 4.546 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)COc1cccnc1NC(=O)Nc1ccccc1C#N 1858833319 DOMLTYCNRXKXEM-UHFFFAOYSA-N 435.871 4.577 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)NC4CCCCC4)cc3)CC2)c1 1860705842 KJSXITZQTQAZPD-UHFFFAOYSA-N 431.536 4.999 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCO)cc1 1862385220 JYMQZSPVTSHHDF-IBGZPJMESA-N 434.319 4.517 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862432279 AUNXKHISQBJSCJ-LJQANCHMSA-N 434.319 4.734 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862507669 QMEMYKMJUAQAEA-QFIPXVFZSA-N 425.500 4.836 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(O)c2)cc1 1862614171 ZMCYWRSUTBKVGF-QHCPKHFHSA-N 442.515 4.863 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862625853 ORMHHOOYKSRGGT-BVZALQNUSA-N 433.504 4.881 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)c1 1862773541 SQRHPDPXJBGGLG-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(Cl)cc2C)C(=O)N(c2cccc(C#N)c2)C1=O 1863060248 OKBVEBWOJHPURL-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE C=CCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632798 ANEGOMHUNFZRIQ-UHFFFAOYSA-N 435.738 4.745 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccco1 1864475590 GHPLIDWFHMEUCE-NRFANRHFSA-N 442.604 4.866 30 10 IJEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)CCCOc1ccc(Br)cc1Cl 1866315142 WLVHIGOBWZALBX-ZDUSSCGKSA-N 436.737 4.538 30 10 IJEE CSCC[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866692644 WMBZRJTXLBMOBV-BCGDRIGESA-N 447.604 4.845 30 10 IJEE CC[C@](C)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867352467 PZJXZKALCINHBQ-SQHAQQRYSA-N 425.532 4.942 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccc(CC)cc3)C2)nc(-c2cccnc2)n1 1869370822 BGNXLSXBKSOUDA-XMMPIXPASA-N 441.579 4.857 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870159508 OKEUZXVEORZRGT-CABCVRRESA-N 431.805 4.553 30 10 IJEE C=CCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871605714 IHJXVGITVJBYTO-KDURUIRLSA-N 429.572 4.861 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871888464 VCTLIJPJHGYKQB-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871996941 IGHGQNBZQLILLZ-REWPJTCUSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 1872026290 UWBOBDXLEPJFQK-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872099817 SULMIZYPVXVXSX-VGSWGCGISA-N 432.561 4.618 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872403580 USPIQFIMQCDCRU-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872425651 WGFKMUAKMNRTGF-CQSZACIVSA-N 427.353 4.506 30 10 IJEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 1872771069 LQDWSDWXTRTMCW-INIZCTEOSA-N 436.493 4.591 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(OC)c(O)c1 1874217319 GTDOKJXWPSZBHU-FOKLQQMPSA-N 446.960 4.836 30 10 IJEE Cc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 1874274613 TWMSGCPRIYETBB-YYHBXHNPSA-N 447.608 4.875 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccnc1 1874296012 GANWGEHTBUZVCK-MFKUBSTISA-N 444.520 4.655 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1)c1ccccc1 1874425278 ZOFKSBJUQLXRQX-SYXCRGJESA-N 447.589 4.858 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 1874450296 YGZRFNJEBCBHLN-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(O)cc2)cc1C 1874483095 DJXLTBDKJLIQIF-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE Fc1ccc(COc2cccc(/C=N/n3c(S)nnc3CCc3ccccc3)c2)cc1 1874560719 MDOIQYJFWXYGTK-WGOQTCKBSA-N 432.524 4.952 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(Br)cc2)cc1 1874569751 GEBCGZWQVNRYLN-FYJGNVAPSA-N 431.359 4.591 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1C 1874593325 DKIMLEUDUHUJDK-FMIVXFBMSA-N 431.488 4.926 30 10 IJEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC 1874600770 CEOOVSJUYHBAPH-JXMROGBWSA-N 431.916 4.501 30 10 IJEE NC(=O)COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1Br 1874601634 USRNTXVNARDFOM-WUXMJOGZSA-N 436.305 4.876 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875118335 YEMUBZANFGKPTP-GSXXRBPTSA-N 445.855 4.627 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1 1875118928 WDONXNXCGSOKDH-SOFGYWHQSA-N 429.188 4.822 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875123714 AGDMPZSKIVEUDP-UXBLZVDNSA-N 439.370 4.997 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(Br)cc3C)n[nH]2)c1C 1889716885 SPXXIUOWHJKHBK-UHFFFAOYSA-N 428.334 4.789 30 10 IJEE Cc1nc(Cl)c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1Br 1891364338 UBXKNOLIERXMAO-UHFFFAOYSA-N 448.748 4.670 30 10 IJEE C#Cc1cc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OC 1903072813 PFESDOXJOURRCI-QGZVFWFLSA-N 440.499 4.542 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 1924670049 JBIAQHZOIBSZKY-RBUKOAKNSA-N 430.511 4.973 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949309665 VYAUSMIHNZAOPU-OFVILXPXSA-N 427.589 4.597 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1O)c1cc2ccccc2o1 2033814579 WLIHMDVEYILQMD-OAQYLSRUSA-N 431.469 4.978 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2037376218 NEIHWYHYAJJCON-UYAOXDASSA-N 445.560 4.512 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(CCCB2OC(C)(C)C(C)(C)O2)C1 2044524211 CEONRYJAQLISPY-WOJBJXKFSA-N 436.446 4.970 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(Br)c1F 2047924678 FQWARMCHHZDVIU-CYBMUJFWSA-N 432.717 4.660 30 10 IJEE CCc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079126449 XUJDOJMZZXGIAU-CQSZACIVSA-N 445.226 4.940 30 10 IJEE O=C(O)c1cnc2c(-c3c(F)cccc3C(F)(F)F)c(C(F)(F)F)nn2c1Cl 2081148117 VFOLWJFAFQJEJH-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1Nc1cc(Br)cc(F)c1C#N 2107451196 TYTXBXNZICFUKG-RYUDHWBXSA-N 426.330 4.763 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(F)cc(Br)c1 2124445371 RCHYVYUEBPMLIR-HNNXBMFYSA-N 428.302 4.504 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(F)c1Br 2145269797 GZAYJSYCOIMKIT-OALUTQOASA-N 428.349 4.951 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 2145541394 MGGSHBQQHLDBQS-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@@]34CCC[C@H]3CCN4Cc3ccccc3)cc2)OC1(C)C 2197366030 YUIPFPHGXFOSMM-CUBQBAPOSA-N 446.444 4.520 30 10 IJEE Cc1cnc(N[C@@H]2CCCCCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232271839 VZYNWGJDLPDFHH-JOCHJYFZSA-N 435.421 4.546 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)C#Cc1ccccc1Br)c1ccccc1 2235719036 ADCCHUKCVDACPJ-SFHVURJKSA-N 428.326 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC(=O)C#Cc2ccccc2Br)C12CCC2 2235732134 YBMDWCVNRGWKOS-QFBILLFUSA-N 432.358 4.843 30 10 IJEE CC(C)[C@@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccccc1Br)C(F)(F)F 2235733867 PABDKGVAWTWQBT-GOSISDBHSA-N 448.279 4.852 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 2235747488 QJARTJNJRXWLHJ-UYAOXDASSA-N 435.406 4.862 30 10 IJEE CC1(C)CCCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C#N 2243909903 DOTLMUBFWRJHKQ-DEOSSOPVSA-N 445.563 4.846 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C(C)C)cc1Cl 2247781729 NIGWNLPELPFSOP-UHFFFAOYSA-N 427.781 4.998 30 10 IJEE Cc1csc(C(=O)N(Cc2ccccc2)CC(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2247834559 XSNPOPBIQLPHOO-UHFFFAOYSA-N 439.308 4.560 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 2261827791 QXTRSPYTKDFEFQ-RUZDIDTESA-N 445.556 4.553 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@H]3CCN(Cc4ccccc4)CC34CCC4)CCC2)OC1(C)C 2267459274 BKUDJOAVQRHRAC-NRFANRHFSA-N 438.421 4.564 30 10 IJEE Cc1ccnc(C(=O)N(Cc2ccccc2)CC2CCCCC2)c1B1OC(C)(C)C(C)(C)O1 2282005591 NWXZUWIDKLZEGU-UHFFFAOYSA-N 448.416 4.912 30 10 IJEE CC1(C)OB(c2cnsc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2282013145 FLMNYKNZIVJUNN-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@@H](N)C#CC1CCCCC1 2289694433 WARQYCMWMWFTMS-PMACEKPBSA-N 435.406 4.796 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2296306495 HXTYXGAULJDIOY-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE O=C(O)C=C1SC(=Nc2ccccc2Cl)N(CCc2c[nH]c3ccccc23)C1=O 2297508601 FSGMUPNEMYIEIF-UHFFFAOYSA-N 425.897 4.595 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2305316300 KYPDRVDMSLANIF-SQJMNOBHSA-N 428.573 4.698 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c(OC)c1 2314430075 VSCRORQYYVAEMP-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2321841171 OHFRCXVVRYKPOI-MRXNPFEDSA-N 449.503 4.925 30 10 IJEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(OCC)cc1 2322193461 YEDJDJGYUZOQBE-UHFFFAOYSA-N 440.569 4.996 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2322748900 QOFFYPBWWLGURS-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)c1 2325576362 HYDZLZXJMZRNCK-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3)ccc2OC)cc1 2325718477 GPKXDYQHINFMKI-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325811445 AONFRCAHFFVUTL-JOCHJYFZSA-N 430.589 4.638 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1ccc(Cl)cc1 2330376038 ZZFLHVNZHPZIGG-FGZHOGPDSA-N 435.008 4.572 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 2330961392 KAKWORWQCDMNMQ-LJQANCHMSA-N 428.945 4.966 30 10 IJEE COCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331230002 XBADGLMJMSTIKL-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OC)c2)c1 2331394685 KRBPXDCDRLNOJZ-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE COc1ccc(OC)c(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)c1 2331434591 BCHKSLGMTSRJGI-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE CC(C)(C)OC(=O)NCC1CC(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339584590 CVYITELIVUYUMV-UHFFFAOYSA-N 444.381 4.656 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339586847 LQQFNNMXCAMIBS-IBGZPJMESA-N 443.397 4.928 30 10 IJEE N#Cc1ncc(Br)cc1OCc1ccc(Cl)cc1I 2340090325 YRMRPTUXWQGMAO-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)n1 2357062958 DWSISSGVQFUPJQ-KHUIQGCPSA-N 448.416 4.509 30 10 IJEE C=CCC(CC=C)OC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2360215104 QTVKCQCTDMPJAP-GOSISDBHSA-N 438.362 4.949 30 10 IJEE CSC1(C#C[C@H](OCCN)c2cc(Br)c(Br)s2)CCC1 2361300327 SXWHSZJFTLBYLJ-NSHDSACASA-N 439.238 4.579 30 10 IJEE Cc1cc(CN2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)ccc1B1OC(C)(C)C(C)(C)O1 2369739630 XYGRCBRLANCYKH-DQEYMECFSA-N 446.444 4.533 30 10 IJEE CC1(C)OB(c2cc(Oc3cc(F)c(Cl)cc3Br)ncc2F)OC1(C)C 2372005389 ZIEWLDKVUZRFRL-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE CC(C)c1ccc(-n2ncc(C(=O)Nc3ccc(CC#N)cc3)c2C2CCNCC2)cc1 7000493 DSFWTGPMEZPDTD-UHFFFAOYSA-N 427.552 4.781 30 10 IJEE O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21226714 WRPLWLGNBCCCEN-HIFRSBDPSA-N 431.275 4.906 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1cccc2ccccc12 33810972 IRBKDFNUUKCZII-GOTSBPSXSA-N 445.544 4.995 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)s1 35567609 JZJJLDSEJFJZKQ-QGZVFWFLSA-N 428.897 4.785 30 10 IJEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccccn2)nc2ccccc21 40185012 WJNQIKLLCYWGQF-IBGZPJMESA-N 426.520 4.730 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 41502182 ANRCSODXGVWHEY-UUYOSTAYSA-N 445.427 4.885 30 10 IJEE COc1cccc(N/C(=N\C(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)c1 85581317 IKKRBEAYQKLOKU-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE O=C(Nc1ccccc1Cl)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96309829 JBUGMVLZCYZNMC-HSZRJFAPSA-N 438.963 4.980 30 10 IJEE CC(C)(C)[C@H]1CCc2c(sc(N3C(=O)C[C@H](Sc4ccc(N)cc4)C3=O)c2C#N)C1 101727424 FEMLRBATASVYHN-DJJJIMSYSA-N 439.606 4.777 30 10 IJEE COc1ccccc1/C=C1/Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O 102736606 KZGQIIARGVDVPX-CIAFOILYSA-N 442.876 4.733 30 10 IJEE O=C1/C(=C\Nc2cccc(Cl)c2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 103133423 DRAZFIURQLFMFP-LDADJPATSA-N 430.938 4.888 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)cc1 170092617 HVZJZNDEAPXXHU-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccs2)cc1 170155041 LYIYOQVNWOUDRK-FQEVSTJZSA-N 429.538 4.540 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccnc2)cc1C 170190209 ROYYGZLJXVXESE-HSZRJFAPSA-N 444.487 4.504 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)c(C)c1 170202160 RVWLSUKQBQIWHB-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccncc2)cc1 170212487 NCHOZSCRAZJHDR-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170240843 SQJPWYXOCQMPSG-GMAHTHKFSA-N 431.463 4.736 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2F)c1 170248509 XGYQBJQMMLPLFK-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(O)c1 170262210 CYEDABUAXKWIDP-JOCHJYFZSA-N 437.536 4.613 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccco2)c1 170297318 GXABVOOLKWEPTI-OAQYLSRUSA-N 443.459 4.726 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(OC(C)C)c2)cc1 170348238 CZPDVQTYGLWGAE-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2)cc1OC 170363126 XNFORTUOKHDETO-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE Cc1nn(-c2ccc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc2)c(C)c1Cl 438593755 CXLFJQDPNKQJSP-UHFFFAOYSA-N 449.942 4.529 30 10 IJEE O=C(NCCC(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469393589 PDQOBPKQMZRLRM-GFCCVEGCSA-N 438.290 4.760 30 10 IJEE C=CCC[C@H](NC(=O)N1C[C@H](CC)O[C@@]2(CCOC2)C1)c1ccc(C(F)(F)F)cc1 474565057 XLRXSXQIUWBFKY-ZJOUEHCJSA-N 426.479 4.692 30 10 IJEE N#CC1CCC(CNC(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)CC1 490402390 QBZVCGDGQVARFS-UHFFFAOYSA-N 425.436 4.555 30 10 IJEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 508725009 WQLKRWUXNHTDRT-UHFFFAOYSA-N 444.926 4.543 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 508879630 HDUOXOPAHISCBF-UHFFFAOYSA-N 436.604 4.768 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 508904970 XEXLZJSXBOTEJK-MAUKXSAKSA-N 445.976 4.600 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc1[N+](=O)[O-] 526803518 XIQUTEIURVMZQL-QRVIBDJDSA-N 443.504 4.851 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(C#N)c(OC)c2)cc1OCC 563783842 UMMDUPBRDXEVBY-UHFFFAOYSA-N 431.330 4.583 30 10 IJEE C=CCc1cc(C(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)cc(OC)c1OC 564186316 ZXKVOYVXXVLHSM-UHFFFAOYSA-N 433.533 4.772 30 10 IJEE N#Cc1ccc(CNC(=O)c2cccnc2Oc2cccc(Br)c2)c(F)c1 609228912 KWAQGYXLDDQGSI-UHFFFAOYSA-N 426.245 4.577 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc(C(=O)OCC)cs1 610225598 PHVZDFGCOVFEAL-LSDHHAIUSA-N 425.337 4.949 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCN(CCC#N)Cc1ccccn1 611668713 MZBZLIPFYZCBKL-UHFFFAOYSA-N 429.362 4.596 30 10 IJEE CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)CC2 677369236 KDDPZYCHRWDRGO-UHFFFAOYSA-N 426.476 4.581 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(Cc2ccc(F)cc2)n1 727038490 KKXWZPUXRAPVCH-LJQANCHMSA-N 435.524 4.959 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 735341151 HPTGHMLCRVEMFQ-UHFFFAOYSA-N 435.789 4.804 30 10 IJEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 744982392 FCGUQGGOVMGFLF-UYGSHGSRSA-N 446.906 4.585 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(C)C(=S)N[C@H]1c1cnc(-c2ccncc2)s1 753384674 SXPBQLIQOWHZDJ-SFHVURJKSA-N 440.981 4.720 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnc(Cl)c(Br)c1C 760066889 XOYUOMWGKASCDX-UHFFFAOYSA-N 439.697 4.934 30 10 IJEE N#CCc1ccc(COC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 776214319 MFTRWMBINJFNHB-UHFFFAOYSA-N 436.537 4.945 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CCCN1C(=O)OC(C)(C)C 786316941 BWFBPHIVYXSCAR-KPZWWZAWSA-N 433.496 4.685 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CCCN1C(=O)OC(C)(C)C 790647536 BWSSVRHBOARZGA-PBBNMVCDSA-N 440.993 4.503 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2nc3ccccc3o2)CC1 1116936084 WCPIMKAOCJXXGC-UHFFFAOYSA-N 445.523 4.674 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1nccc2c(Br)cccc12 1125486432 CMPWGKSRXXRCHW-UHFFFAOYSA-N 431.293 4.746 30 10 IJEE C=CCc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc(OC)c1OC 1128318121 GLQVKULPNWSSTE-UHFFFAOYSA-N 429.929 4.780 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1129000310 UOERIRNBQYOFMF-INIZCTEOSA-N 425.504 4.851 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 1129022398 GCYAZTQGXABPNR-UHFFFAOYSA-N 426.501 4.831 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 1132098925 IAYAFDVJEORRGE-UHFFFAOYSA-N 432.911 4.798 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)c1 1134626970 WIHXNFFDYOHPNT-UWJYYQICSA-N 442.581 4.838 30 10 IJEE CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)CNc1ccc(C#N)cn1 1142224819 AZXNZONCIRXSBW-UHFFFAOYSA-N 428.414 4.693 30 10 IJEE C=C(C)CONC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1144645262 QSMKGTMAAUPLQJ-IBGZPJMESA-N 434.536 4.662 30 10 IJEE CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 1157618506 BXCLUDYWHJPDER-RUZDIDTESA-N 448.611 4.635 30 10 IJEE C=CCOc1c(Br)cc(CNCc2noc3cc(F)ccc23)cc1OCC 1179430245 UDNDEWZEEQTNBV-UHFFFAOYSA-N 435.293 4.983 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1C#N 1205447902 AMNDJYALIFYPLQ-UHFFFAOYSA-N 443.507 4.705 30 10 IJEE C#CC[C@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1220532947 BVHIIYPRNMOZET-LAUBAEHRSA-N 428.001 4.556 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C 1227924145 JYIMPGFPXFFZKU-APWZRJJASA-N 427.342 4.549 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1c(F)cc(C#N)cc1F 1266597384 GVYFWRPPZYWXIW-QGZVFWFLSA-N 437.412 4.986 30 10 IJEE C[C@H](CN(C)C(=O)c1ccn(-c2cccc(C#N)c2)n1)Oc1ccc(Cl)c(Cl)c1 1269136866 FXDJJDUPQRYHGR-CQSZACIVSA-N 429.307 4.590 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1275499113 VQONKKQULRHCDS-LJQANCHMSA-N 428.891 4.881 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1CC1CCN(Cc2cccs2)CC1 1286442034 ZXSDZCSYFGIIIW-UHFFFAOYSA-N 437.588 4.517 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[S@](=O)C(C)(C)C 1286716866 NAHJNLAXFOEGSN-HKBQPEDESA-N 439.629 4.522 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccsc1)N(C)C 1286744223 FUCVVMLPHRJXPK-FCHUYYIVSA-N 437.613 4.687 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC(F)(F)F 1286754955 XRJFQBNLYVIHNT-UHFFFAOYSA-N 431.462 4.907 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1286827222 HLEBJKBNSGOSCG-PKOBYXMFSA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c(N2CCS[C@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1286836798 QOXFIFYEMULEOE-HXUWFJFHSA-N 428.671 4.999 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1cccs1)N(C)C 1288516847 FKRZGJACKCNLPR-UZLBHIALSA-N 433.585 4.529 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H](C)c2ncc(C)s2)o1 1289538462 DVDWJAVCFNUHMN-HNNXBMFYSA-N 432.553 4.923 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCC(F)(F)F 1300280409 CYRGIUCXDLSAJV-MRXNPFEDSA-N 432.446 4.918 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H]1C(C)C 1300643812 USJWAPJMCMJFAD-REWPJTCUSA-N 436.531 4.687 30 10 IJEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1300675111 JYDINWQKJLYUBE-AQYVVDRMSA-N 426.992 4.869 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)OC 1300900233 AUGPNEQUAGVKBS-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1Cc1cccs1 1301029808 VPXHZFSEHKKHEL-KRWDZBQOSA-N 444.988 4.988 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(C)CCCS2)CC1 1301096166 ZNGYSUOLVXONEG-HSZRJFAPSA-N 428.602 4.698 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)c2ncc(C)s2)CC1 1301129879 FMECIYZXQAWWEW-SFHVURJKSA-N 437.613 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1301146279 YSYXTJDPGICBJO-FQEVSTJZSA-N 448.615 4.767 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1COCCO1 1301168012 JUZYSPQDIPONLB-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1snnc1C 1301170063 MXZMMCJYQRLQTC-IEBWSBKVSA-N 432.638 4.588 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301193970 CNAFEKYRSPFMBY-QFIPXVFZSA-N 438.616 4.962 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCc2cc(Br)ccc2C1 1301227916 XPZDXFSKCPISSG-UHFFFAOYSA-N 438.373 4.555 30 10 IJEE C=CCCOCCn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1301261058 APQYPIWASQYZMV-QFIPXVFZSA-N 438.616 4.592 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1c(CC)nn(C)c1CC 1301358907 AWGOFYDGIICAST-UHFFFAOYSA-N 447.612 4.501 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C 1301366298 AQPYQGJVSJHFEL-QZNHQXDQSA-N 439.673 4.974 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@H]1CCCCO1 1306292544 BDGBPIOMTGCDTI-CEMLEFRQSA-N 437.588 4.703 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)C1 1306328093 HSHQHYJFBCWKOL-UZINWLIJSA-N 434.632 4.954 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1306933955 FBKYMYOIBGJKJU-UHFFFAOYSA-N 444.844 4.741 30 10 IJEE CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc(Cl)c1C#N 1309109434 AXZXMRACWZGAQI-UHFFFAOYSA-N 445.741 4.713 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 1310195359 HBSSQJCGSGPBBW-AZUAARDMSA-N 434.323 4.774 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1312731548 BTFAUHZBMIPNDR-HXUWFJFHSA-N 436.506 4.583 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)C1 1323756254 OINXFBWLGBTRMQ-INIZCTEOSA-N 447.894 4.549 30 10 IJEE C=CCN(C(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1)c1nc(-c2ccccc2)cs1 1350012353 HXBVABOJPQIPQT-SFHVURJKSA-N 435.524 4.911 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 1352482212 GTWPPOVVSHPVSH-FQEVSTJZSA-N 445.313 4.806 30 10 IJEE C=C1CCC(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(=O)OC(C)(C)C)C3)CC1 1354042546 FFWPFQMUNHVTIQ-UHFFFAOYSA-N 434.558 4.513 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)cc1 1356328186 IECRJQGJLJDRML-MRXNPFEDSA-N 447.457 4.786 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1358077164 IWNIVILRLOVAFN-HSZRJFAPSA-N 428.454 4.741 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCc3c(Br)cccc32)cc1OC 1358262046 RCWOTEJBJZIPFT-KEEQEYLASA-N 428.326 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cn(CCCCC)nc1C 1358873436 JEDKCNFYHKAEPZ-NRFANRHFSA-N 444.627 4.949 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](c1cccnc1)C(C)C 1358896314 AWUVGGWYVPDWAS-QPPBQGQZSA-N 431.584 4.767 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)c1ccccn1 1358985701 FMEZDSRUBUOKOI-HSZRJFAPSA-N 425.580 4.656 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1C1CCC1 1359052124 VDCOYOYNOSMZNM-LJQANCHMSA-N 431.005 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccoc1 1359094079 WZDPRUBPTCSCRP-JXFKEZNVSA-N 430.911 4.948 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(c3ccc(C)c(C)c3)CC2)nnc1C(C)(C)C 1359105026 IYMJWZKOGUHOQH-JTHBVZDNSA-N 437.632 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCc1scnc1C 1359116799 YYUFENBVUZKNKP-UHFFFAOYSA-N 431.993 4.921 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](CC)C1 1359126941 DFMGTIKVVIUDER-HSZRJFAPSA-N 449.599 4.561 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCC[C@H]2C)CC1 1359180051 PQYLYJCGWMIBBO-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359210205 MLRCLBRHKPWMNC-HUUCEWRRSA-N 438.439 4.654 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1359218751 UHMNNWRZQAXIQE-UHFFFAOYSA-N 449.624 4.558 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCn2ccnc21 1359267221 ZDJALMZQDVXGSL-VXKWHMMOSA-N 446.599 4.987 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(CC)s2)C1 1359326278 WNOHXZFHBZEBAN-FQEVSTJZSA-N 438.597 4.619 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](CC(C)C)C1 1359336563 UURFPLDKZAJLAD-HXUWFJFHSA-N 441.645 4.939 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCOC(C)(C)C 1359339650 NBTMGNHNEWZLLS-UHFFFAOYSA-N 425.602 4.664 30 10 IJEE CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CSCCS2)C1 1359519273 DHNDZKPXQPHWLL-OALUTQOASA-N 427.643 4.538 30 10 IJEE C#CCN(C(=O)CSc1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1360551881 CAZLKUAZXCEAKN-LJQANCHMSA-N 430.367 4.835 30 10 IJEE C#CCN(C(=O)CCc1cccc(OCC)c1)[C@H]1CCOc2ccc(Br)cc21 1435176552 VZDKILYQYAVPKK-NRFANRHFSA-N 442.353 4.766 30 10 IJEE C=C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 1436096052 WUXGHAKBHBDOTN-INIZCTEOSA-N 428.945 4.840 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)cc(OC)c1OC 1442513970 DHHLIJIRGSZUKV-UHFFFAOYSA-N 446.425 4.635 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 1444136254 NBSJBJWBYADWDE-IBGZPJMESA-N 433.549 4.509 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 1453001275 WNPVRYULNGYZPF-MRXNPFEDSA-N 431.330 4.652 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 1459920041 LJQKEVCVIRVQPS-XMMPIXPASA-N 430.935 4.863 30 10 IJEE COc1cc2c(cc1Cl)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC2 1460179938 HOJWCFZKYIKVKE-UHFFFAOYSA-N 440.975 4.751 30 10 IJEE COc1ncc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)cc1C#N 1462894298 BPPVJDCIMNGDQU-UHFFFAOYSA-N 437.912 4.636 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C 1467658510 ZXUIXEABMRXSBT-QGZVFWFLSA-N 434.487 4.553 30 10 IJEE C#CCN(C(=O)NC[C@H](C)c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1468427053 SIPCRWWERJEDTR-MGPUTAFESA-N 445.332 4.860 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc(Cl)cc1F 1469885621 QXTJFNUXHQMZIW-MOPGFXCFSA-N 441.856 4.774 30 10 IJEE C#CCN(Cc1ncccc1C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1473168605 QEPLUBXAEIGUOD-QGZVFWFLSA-N 425.248 4.822 30 10 IJEE C#C[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)c1nc2ccc([C@H](C)CC)cc2s1 1473539172 ATLKTWYYVJIYLJ-DENIHFKCSA-N 447.604 4.677 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 1476223520 VZHFHONNJSIHRQ-CYBMUJFWSA-N 437.334 4.903 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br 1476877792 KHIUQSPFMWGVSM-OTYXRUKQSA-N 441.219 4.590 30 10 IJEE C#Cc1ccc(NC(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)cc1 1477192593 VCIZBRWIBFFWQF-FNZWTVRRSA-N 428.532 4.875 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1)c1ccccc1 1478257345 LHPHVAANWXBHFX-ISKFKSNPSA-N 449.595 4.632 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)c(Cl)c1 1478581172 GRSXUYFRRWLZEG-QUCCMNQESA-N 426.923 4.519 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OCCC)nc1 1507518016 SMPHYZRAFNFUEO-TZIWHRDSSA-N 447.583 4.725 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1507565636 FVGQABHWERAMQO-OAHLLOKOSA-N 429.540 4.913 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC[C@@H](C)C1 1507714294 MACUEJABIIMSAV-QZTJIDSGSA-N 433.021 4.746 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@H]1CC 1507746576 ABRWGLUEYMDOIY-CRAIPNDOSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1ncc(CC)s1 1507794923 JNVRSSCJAKSUNJ-IERDGZPVSA-N 441.576 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(CCOC)CC(C)C 1507798292 VDZSRUSUNPKBSO-QPPBQGQZSA-N 449.599 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507806157 RLCQGYSDGSTSFN-MIVHDCIWSA-N 430.543 4.611 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCc1nccs1 1507858543 FWWJLCZMKHHNCH-UHFFFAOYSA-N 444.811 4.657 30 10 IJEE C=C(Cl)Cn1c(COCC)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 1507871979 DAYSVVNUZBRPLQ-UHFFFAOYSA-N 436.343 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)F)CC1 1507913488 ZTVXMNCSNOYYFH-UHFFFAOYSA-N 441.929 4.885 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CC1 1508017093 INMJTMUEQVVAPL-IBGZPJMESA-N 429.609 4.761 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@](C)(OC)C1 1508107386 CMUKHTLRONZOBZ-XMMPIXPASA-N 438.597 4.549 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1508165710 WVUQHDFCOXRGKQ-YLJYHZDGSA-N 439.654 4.935 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cc1OC 1525684237 LENVXKTWIFQBAZ-ZRDIBKRKSA-N 440.971 4.974 30 10 IJEE C#CCN(C(=O)c1cc(C)nn1C(CC)CC)[C@H]1CCOc2ccc(Br)cc21 1529627799 YFLLOLXXNGTBGE-IBGZPJMESA-N 444.373 4.914 30 10 IJEE Cc1c(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cccc1C(=O)N1CCc2sccc2C1 1532597330 HDLKZEKRMLPBJT-QGZVFWFLSA-N 443.572 4.944 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(COCCOC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1536363871 QLNMXCMJCAOEHQ-VWLOTQADSA-N 446.588 4.913 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(Br)cc(F)c3C2)cc1OC 1537040868 FAWKDYPSYPDTCO-ALCCZGGFSA-N 446.316 4.760 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 1537513965 GGDNSBKYPYCPKM-UHFFFAOYSA-N 428.492 4.786 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CC(=O)N(CCCC)[C@H]3c3ccc(OC)cc3)cc2n1 1538563301 XCAGTITWNQXYBE-DHLKQENFSA-N 446.551 4.559 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CCCC1(C)C 1538658109 VHGLNEIVCYWJBU-QFIPXVFZSA-N 432.630 4.847 30 10 IJEE N#Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 1538942898 AVZCJYMMJZEDPF-UHFFFAOYSA-N 435.896 4.783 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1C1CC1 1538973578 OUZFQIAIKRZBJR-XKCSPQBFSA-N 435.616 4.510 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCC(C)(C)C1 1538984354 HDPVSUJYJQGURY-RBUKOAKNSA-N 439.673 4.711 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539052486 DUDFINRDHKRYDM-AQNXPRMDSA-N 431.625 4.725 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCC(N2CCCCC2)CC1 1539079203 PPBGNPNOVDIVCR-UHFFFAOYSA-N 433.644 4.712 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539086008 WMLVCBNDHJSUQA-RNHFSVANSA-N 441.620 4.923 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539097483 OIZDTNTVXFPPNR-CZUORRHYSA-N 428.405 4.595 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1539139165 CDHMFEDGYRZVAF-UHFFFAOYSA-N 446.064 4.948 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1539332631 XXTSJYLIIMBFOH-NHCUHLMSSA-N 438.641 4.623 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOCC)CCC1 1539351126 MQIRLGCDSXLAHN-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCOCCCC 1539547281 WOTRGFVNADILLU-HSZRJFAPSA-N 430.980 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1C 1539620131 JMNYXDPDMDNWOM-CLCXKQKWSA-N 449.368 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCCOCc2ccccc2)nnc1C(C)(C)C 1539642607 RHKJQNWZVNCSKR-VXKWHMMOSA-N 426.605 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(C(F)(F)F)c1 1539652104 NNWFEGBZJBLXRB-UHFFFAOYSA-N 431.462 4.818 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1539989178 OYKHZVKTDMIPIE-UHFFFAOYSA-N 445.036 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nc(C)c(C)s1 1540056352 DCYSKGSACGNJII-UHFFFAOYSA-N 432.391 4.760 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CCc1cccc(C)n1 1540133957 PSWATEJWVITARF-UHFFFAOYSA-N 444.608 4.773 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C)CC1)C(C)C 1540152616 YFJPGAULPNXUBT-QPPBQGQZSA-N 436.648 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO[C@H]1C(C)C 1540153628 IYBNLEWFKXCQRX-URXFXBBRSA-N 446.599 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1nc(C)cs1 1540158386 FUJSAOULUPDNOK-UHFFFAOYSA-N 436.404 4.761 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1541289148 AVIPSJHXHYPPNB-UHFFFAOYSA-N 431.588 4.612 30 10 IJEE C#CCN(C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CSC1 1557439171 RZFGFYGPRRGWQO-ATVHPVEESA-N 449.557 4.712 30 10 IJEE C=CCC1(NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OCC)CCCCC1 1562082265 XMFQBEVXYNHKCJ-UHFFFAOYSA-N 437.606 4.516 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Br)c1COC)c1ccc(Cl)cc1F 1562303982 AWAFVYXZOWVMRB-INIZCTEOSA-N 425.685 4.884 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)N1CCCC[C@@H]1C 1563464018 PBPPQZPPENFSMO-HOTGVXAUSA-N 426.374 4.549 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1563678825 VSSCKUGPMVPCJL-WOJBJXKFSA-N 441.547 4.659 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)OCC 1566656513 ODMCUYJHGJJZKB-NOZRDPDXSA-N 426.988 4.945 30 10 IJEE N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1584702604 FHPDSSNVVSHMCI-MGPUTAFESA-N 446.425 4.962 30 10 IJEE C=CC[C@]1(C(=O)OCc2cc(-c3cccc(F)c3)on2)CCCN1C(=O)OC(C)(C)C 1585685550 QOTFHKJJHVTAAW-HSZRJFAPSA-N 430.476 4.870 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C)(COC)CC1 1587823552 UZUDWQQOGIILLI-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 1587867296 WPAFGRWZEAQBCY-HXUWFJFHSA-N 429.561 4.501 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(OCC)CCCC1 1587922340 ZMFXOZBDZVCFQH-UHFFFAOYSA-N 435.597 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1ccncc1 1588186102 RYNBGASIVVVFQS-UHFFFAOYSA-N 445.979 4.914 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCC1(C)C 1588445657 PTTKHUWQSAYNEP-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1589006753 IDCNGPWLQHJDJA-LEWJYISDSA-N 438.597 4.698 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1589295414 GJQXFHCRVGWARF-KRWDZBQOSA-N 447.421 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N 1589505223 LRCMYHGECALFBW-KHYOSLBOSA-N 434.371 4.829 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1594134017 IQDATQKNFLEOMI-STZQEDGTSA-N 442.579 4.960 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1594766837 FPMTXWUCGCSDHP-GOSISDBHSA-N 445.976 4.511 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](C)CNC(=O)OC(C)(C)C)C1CC1 1595043829 GIJHMCSWWHQJGV-MRXNPFEDSA-N 445.995 4.914 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1(OC)CCCC1 1595133719 LRGWONCTTZKITB-UHFFFAOYSA-N 435.547 4.555 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CCN1CCC[C@H](C)C1 1595161896 PFIPHAKPMIWQNI-FQEVSTJZSA-N 427.662 4.997 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)C(C)C 1595170409 BVJGWISHDYLQLA-SMIHKQSGSA-N 441.664 4.640 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC=C(C(C)(C)C)CC1 1595658538 GMEXLGJHVLQGTB-NRFANRHFSA-N 436.600 4.968 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2=CCCCC2)C1 1595755336 WJROZYMVIAJBTB-YPAWHYETSA-N 428.621 4.869 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@]2(C)C(C)C)c1 1596615478 WTGJAZBWRHKJTJ-JTHBVZDNSA-N 447.000 4.886 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 1596743960 RFAFRYUJSFJKAB-RRPNLBNLSA-N 442.534 4.626 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CCS1 1603079190 HSKCDBBBHGOFLE-IEBWSBKVSA-N 431.556 4.830 30 10 IJEE CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H]1C 1617376638 DEWYRGQKCBXNAA-ZVVFGRKBSA-N 434.536 4.576 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC1(OC)CCC1 1619110449 HSBBDDDATBPFJP-QFIPXVFZSA-N 443.979 4.696 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1 1623205500 IECUQDFHHDXCNH-UHFFFAOYSA-N 448.450 4.847 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)[C@H](Sc3cc(F)ccc3F)c3ccccc3)C2)cc1 1624808848 DMTBFSRFOJJTEQ-HSZRJFAPSA-N 436.483 4.960 30 10 IJEE C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OCc2cccnc2)cc1 1628696633 FYSCIWMSYMLWIR-AVRWGWEMSA-N 426.520 4.970 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C 1630925418 KGBRVMRFBOHIFW-OPXMRZJTSA-N 446.591 4.898 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CCCN1C(=O)OC(C)(C)C 1631080551 QZRUQTKFVMUIDV-BPYKYCOYSA-N 446.563 4.586 30 10 IJEE Cc1ccc(Oc2ccccc2CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1632328407 FMPOHHHMTBUPOP-UHFFFAOYSA-N 429.495 4.689 30 10 IJEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)c1ccc(Cl)cc1 1637297120 QTYHGUKOGNYNQP-NRFANRHFSA-N 438.936 4.554 30 10 IJEE C=CC1(CC(=O)N=[S@@](=O)(CC)c2cccc(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1640482531 UVIUTNQPFCYLJJ-MUUNZHRXSA-N 426.966 4.527 30 10 IJEE C=CCC(F)(F)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1648427360 NXBVBJGWRFFZBC-UHFFFAOYSA-N 435.279 4.944 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)Cc2cccs2)c1 1652827961 BPHXZJONKIGILT-UHFFFAOYSA-N 425.897 4.936 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)cc1OC 1653967792 JCZNCHGTLZVOFU-LJQANCHMSA-N 432.561 4.512 30 10 IJEE C=C(C)[C@@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1655390631 RKUOCYVZGCLTGO-HXUWFJFHSA-N 439.484 4.633 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 1658420861 AVAOTIUGXKYICT-SFHVURJKSA-N 428.492 4.801 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2cc(Cl)c(OC)cc2Br)c(OC)c1 1660989656 IMSVSWWNYYJKOD-UHFFFAOYSA-N 447.734 4.616 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 1663085263 VYEQFYNYEOUUNM-RISCZKNCSA-N 426.298 4.881 30 10 IJEE O=S(=O)(CCc1cccc(F)c1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1663329861 AOVLVPXLVPWJTB-OAHLLOKOSA-N 429.357 4.610 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)[C@@H]2C1 1668450367 BSTMBEMELBPGTK-PGRDOPGGSA-N 448.523 4.824 30 10 IJEE CC(C)N1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 1669509234 HQMYYGNCEHTAFZ-UHFFFAOYSA-N 432.446 4.927 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)OCC)c2)c1)c1ccccc1 1670627968 DIISZTQQBUVOTO-HSZRJFAPSA-N 441.487 4.612 30 10 IJEE CCN1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1=O 1674986801 AUEHIXRHALWLEX-GOSISDBHSA-N 446.429 4.502 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3C[C@H]4CC[C@@H]([C@H]3C)N4C(=O)OC(C)(C)C)cc2n1 1675017809 MRLBSESQIZEYBZ-ZRRCRCOKSA-N 439.560 4.520 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1675207734 GTNYLUJZZKRBIC-FQEVSTJZSA-N 445.604 4.819 30 10 IJEE CC[C@H]1CN(C(=O)Nc2cccc(C#N)c2C)[C@H](CC)CN1C(=O)OCc1ccccc1 1675320362 GRIMGRLITSZAJE-YADHBBJMSA-N 434.540 4.910 30 10 IJEE C=CCC1(CNC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CCCC1 1678087110 XALNSDVMAIHGBL-HXUWFJFHSA-N 439.522 4.514 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(Cn2cnc3ccccc32)c1)c1ccc(Cl)cc1 1678106962 PCKZOGMOONWFDI-QFIPXVFZSA-N 428.923 4.912 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 1683381831 CFYULMYAICIOQT-MRXNPFEDSA-N 427.932 4.552 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 1687036426 NALPJLKARRYWKN-GUGJDKNPSA-N 445.579 4.963 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCC(C)(C)COC 1690006768 ZOLUIJCQHHJWHP-LJQANCHMSA-N 438.641 4.657 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)CC(C)(C)C1 1690222527 YIJJNDVJWKLTKG-CYBMUJFWSA-N 434.338 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C 1690271594 VYGDUPUNQOXFMH-GOSISDBHSA-N 448.036 4.541 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)C1CC1 1690320010 GQAOPWVZFAYESR-DHIUTWEWSA-N 438.616 4.958 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1C[C@@]1(C)OCCc2sccc21 1691007792 ARJDNBHOCFLWFO-KBMIEXCESA-N 449.624 4.599 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1sccc1C 1705478892 CLMFZMZYXKCPEY-ZDUSSCGKSA-N 433.350 4.723 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CCC(OC)CC1 1705501981 BLSDONDMHLFJLZ-ITAUSPCMSA-N 438.616 4.952 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCc2sccc2C1 1705524819 SMCQENKQBDKWAU-GOSISDBHSA-N 436.581 4.854 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCCC1 1705607140 ROEVCUVSLQEUTJ-UHFFFAOYSA-N 425.646 4.609 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@H]1CC 1705732441 ZDRQINWLZOYGTL-OAQYLSRUSA-N 433.581 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCN(CC)CC)CC1 1705765589 TWXKGQBZVFQBIJ-UHFFFAOYSA-N 446.437 4.904 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](SC)C(C)(C)C)CC1 1705766183 PSKGOWUZQGCALR-FQEVSTJZSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)CC(=C)C 1705789730 VCKNNFAAHYZREU-UHFFFAOYSA-N 434.588 4.680 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705803022 CJNVVJNTPXGPTJ-SFHVURJKSA-N 443.567 4.792 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC(O)(CC)CC)C1CC1 1705851222 YVWQGTZTHHMBJF-UHFFFAOYSA-N 437.357 4.553 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCSC1 1705871627 QPXNHKMARLZKEI-MRXNPFEDSA-N 433.419 4.948 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCOC1CCCCC1 1722276640 JGCQEWWBFQXEER-OALUTQOASA-N 428.552 4.755 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1722403716 BJIQYHYSIQVIGH-UYAOXDASSA-N 445.405 4.537 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)CCC(C)C 1722418366 OAYDICRVLOFQGN-RUZDIDTESA-N 438.547 4.813 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(F)cc1 1722504674 HIZMACRKIPLYBG-NFBKMPQASA-N 435.547 4.795 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCOc1ccccc1C 1722518618 BCWSVHDUYRWXIG-UHFFFAOYSA-N 444.377 4.826 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@](C)(O)C(C)C)CC1 1722562549 CVOGJOIGYIZVMZ-RUZDIDTESA-N 426.605 4.933 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2c(C)noc2C)CC1 1722564027 GGBMIPRDOOHFQC-IBGZPJMESA-N 437.544 4.626 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722581846 FLTUXFBISHWBBV-CVDCTZTESA-N 442.991 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1722585681 FYOUWHGBDKQBNZ-SFHVURJKSA-N 425.968 4.671 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCCCC1)C1CC1 1722646753 VUVWFUYTDZQGTO-UHFFFAOYSA-N 445.405 4.866 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722657512 DERWKDDDGGKUSZ-IBGZPJMESA-N 433.522 4.622 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@H]1C(C)C 1722659994 JMNDBXKSOMSCFF-XJUOHMSHSA-N 442.579 4.565 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1722662688 LJYGZEUMYKUHLA-TYPHKJRUSA-N 430.618 4.835 30 10 IJEE CSc1cccc(F)c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1731078587 DQIDFWFHUFFIQG-JXXFODFXSA-N 445.608 4.844 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1740540230 ILGYUQZMGLYJRG-REWPJTCUSA-N 431.584 4.786 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SCC)C1 1740579752 SQNDKEGMBZODPS-NRFANRHFSA-N 439.629 4.673 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@@H](SCC)C1 1740595757 YAQOYZHFKQAGSR-OAQYLSRUSA-N 426.630 4.999 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1740656450 PRSZXMNULMZHRC-UHFFFAOYSA-N 443.595 4.576 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1740750268 ANXWSEYAYYFGKJ-NZQKXSOJSA-N 440.563 4.621 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@@H]1C 1740788369 UGCIXNFXBNEFQM-HOTGVXAUSA-N 449.393 4.544 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1csc([C@H](C)OC)n1)C1CC1 1740913301 JDWRQKIPLVJEPD-KFKAGJAMSA-N 445.633 4.564 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC(C)(C)c1ccccn1 1740919228 ZAZFBIPWKWVCRU-UHFFFAOYSA-N 426.568 4.849 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1)C(C)C 1740924601 XBWWGRBHHRZPDK-GGAORHGYSA-N 448.615 4.810 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)C#N 1741127382 AUCPYBNRXWQVKH-JXXFODFXSA-N 433.959 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 1748680644 VHVGSHAHXQIWAT-NRFANRHFSA-N 443.595 4.676 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Br)o1 1748703390 ZSTAGIYUUWBHPK-UHFFFAOYSA-N 438.329 4.612 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1748706156 BDUGOGPOVHPZPB-CALCHBBNSA-N 431.353 4.742 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1749257694 XUKYKMGJQDWHPB-UHFFFAOYSA-N 448.880 4.632 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1749345409 HEBNOKNCFDCHBN-KOSHJBKYSA-N 442.677 4.547 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@](C)(O)CCC(C)C)CC1 1749348581 SCKHYDWTOREYCX-SANMLTNESA-N 435.616 4.871 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCCC(C)C)CC1 1749431027 WIDZORLRIQSCDZ-QHCPKHFHSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1749433870 ZAIMKSYWQSCKSX-UHFFFAOYSA-N 439.604 4.586 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 1749530192 UTULKLVVVJCCGC-NVQXNPDNSA-N 433.600 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1coc(-c2cccs2)n1 1749576093 CIPLBEZIVQHGFA-UHFFFAOYSA-N 435.528 4.951 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1749687428 RVEBLPVRPVMVSM-PKTZIBPZSA-N 447.583 4.593 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2csc(C)c2)C1 1749719303 RXVNSWJLRMWAPH-FQEVSTJZSA-N 444.988 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CCOCC)CCCC1 1760125064 OGAKGWRXUJKPJI-NJDAHSKKSA-N 430.637 4.642 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(OC2CCCC2)cc1 1760221976 RPGFNAUNSYTXSU-UHFFFAOYSA-N 430.596 4.843 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1760226114 KRAMEPMJLQDVTB-OALUTQOASA-N 428.024 4.815 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C(C)C)N1CCCC1 1760288687 IHVPIKDBKNLZEQ-NLJOTIRTSA-N 433.644 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN(CC)CC 1760288846 BIVLQVPNESXPPF-UQBPGWFLSA-N 439.673 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CC)C1 1760316444 RZHHDRXLEYXRLR-MOXWOTFGSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1760326558 XINZGQYLHACHSL-GBXCKJPGSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(Oc2ccccc2)nc1 1760338689 PNTVCHLKVHPVPD-UHFFFAOYSA-N 440.551 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnn2ccccc12 1760340707 KVSNBTUQYPQLBW-UHFFFAOYSA-N 430.556 4.572 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(C)(C)OC(C)(C)C1 1760342778 UVGGIROTIMEYLV-UHFFFAOYSA-N 437.357 4.817 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760367814 UQXBIHHHVBKCKF-KSFYIVLOSA-N 436.959 4.951 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)CN2CCCC2)CC1 1760405537 WMPVHBARLCJEEX-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)Cc1ccccc1C 1760407478 FCDYIKHQGMWRQH-UHFFFAOYSA-N 432.572 4.863 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCCn1nc(C)cc1C 1760481494 XZSSNDUVYXMTJK-QHCPKHFHSA-N 434.588 4.616 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H](C)CN1CCCCC1 1760484204 QEJQXXZALPNDAV-NFBKMPQASA-N 441.595 4.583 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@H](C)c1ncc(C)s1 1760484969 OYWHVGZPEVATJQ-APWZRJJASA-N 441.576 4.682 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1762739698 FKAXXEMAZMMZIV-QZNHQXDQSA-N 436.648 4.906 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1764921535 ICBCXTRXTCPMJO-XMSQKQJNSA-N 436.629 4.994 30 10 IJEE CCCOc1ccc(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCC(C#N)CC2)cn1 1766286685 FODQSTAYUODBJW-QHCPKHFHSA-N 444.583 4.792 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2cccnc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1771543995 HHKPWXAEQYULFC-MOPGFXCFSA-N 432.494 4.688 30 10 IJEE COc1ccc(Cl)c(CC(=O)Nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2)c1 1859126104 RBGKWSAWIZWZEQ-UHFFFAOYSA-N 433.895 4.583 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CCCc3ccc(C)cc3)nc12 1859656101 PBIGUTYYYSDKBS-UHFFFAOYSA-N 439.519 4.879 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(OC)cc2)cc1 1862391571 DEDUPRWCHWWUOL-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862420514 MNLGXOQROXYTIM-NRFANRHFSA-N 443.446 4.590 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862422022 UYEQTOFXFYLRGJ-YEJXKQKISA-N 445.462 4.749 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)c1 1862465566 SPMYFHWHGLFDFL-IBGZPJMESA-N 428.326 4.992 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862518913 XDGAKRHJAVNUTR-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2)cc1 1862554586 GMYOJJYKYUHMHJ-QMHKHESXSA-N 428.488 4.617 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862686818 DEAQBGSMAKBZNX-QMHKHESXSA-N 429.472 4.740 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1C[C@@H](C)O 1862721243 CGQSAXWVMFNMJE-KOSHJBKYSA-N 427.500 4.621 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1 1863174018 SICLHTRLPDJWJK-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1 1863305914 IIEAFONZILNBEC-INIZCTEOSA-N 441.462 4.659 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C(C)=C/c1cccc(Cl)c1 1868750660 SWYYSYRQIWUHGL-ZGSOLVRCSA-N 440.946 4.811 30 10 IJEE C=CCn1nc(C(=O)NCCCCCCCCCC)c(I)c1C 1871324076 ZMXYVWRQFUWMPC-UHFFFAOYSA-N 431.362 4.853 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCOC(C)C)C3)C1=O 1871351546 AZCZOBVWHIPJJJ-UCQKPKSFSA-N 437.536 4.977 30 10 IJEE Cc1cc(OC(=O)CNC(=O)c2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871365874 ILNIUJCQMAENNA-MTJSOVHGSA-N 447.874 4.600 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C)S(=O)(=O)CC 1872112891 PHQYQNRQVMMJBK-MRXNPFEDSA-N 440.915 4.550 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872146617 RSNAMOZEGITKKB-QFIPXVFZSA-N 429.586 4.765 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872157678 NFDVBIQYSIZFHT-MBSDFSHPSA-N 441.597 4.764 30 10 IJEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 1872771070 LQDWSDWXTRTMCW-MRXNPFEDSA-N 436.493 4.591 30 10 IJEE Cc1cc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)ccc1F 1872771943 GHTKZBPFWAVOIU-HNNXBMFYSA-N 426.385 4.564 30 10 IJEE Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2nc1C 1872772623 FTGOPMLYRBCGPX-INIZCTEOSA-N 428.473 4.589 30 10 IJEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2cc(F)cc(F)c2)C1=O 1873111657 NCWHWQJBFPYZLB-UHFFFAOYSA-N 430.454 4.610 30 10 IJEE N#Cc1ccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3ccncc3)C2=O)cc1 1873333779 ALKJQFAZVLSDAF-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873424755 VIOPEAQCXHFMIP-UHFFFAOYSA-N 438.531 4.814 30 10 IJEE CCOc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1Cl 1873498991 WMOOYZLIYLWUKQ-VULFUBBASA-N 434.879 4.948 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2CC(C)C)cc1OCc1ccc(Cl)cc1 1873502745 SUWXHKHRPQFTHW-FSJBWODESA-N 430.961 4.889 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(COc2cc(F)ccc2F)nnc1SC 1874259850 VXCMGTXUERMLGX-BRJLIKDPSA-N 440.475 4.901 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2/N=C/c2cccc(Cl)c2)cc1C 1874331749 CTQKDRIEYJDBAV-BUVRLJJBSA-N 428.989 4.690 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C)cc1 1874345794 HARQBGYABGYREP-ZVHZXABRSA-N 442.972 4.758 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1ccc(CC)cc1 1874479082 IEFHBRKYBDJYOY-JJIBRWJFSA-N 429.634 4.806 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(F)c1 1874482814 PBOZKJCSSSHCOG-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C(C)(C)C)c1 1874482953 WLITYHXLCWUAJZ-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(F)c2)cc1 1874511542 DBOLIPSKTYHYMI-ZMOGYAJESA-N 425.533 4.716 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)o1 1874609989 VKZGKBNXEDMPEN-LFYBBSHMSA-N 436.460 4.949 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)COCc1ccccc1 1875118156 NWRXQFBYFOKHHX-NTUHNPAUSA-N 447.443 4.622 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccccc2Cc2ccccc2)c1 1891686552 UMLBUXYLPLSORG-UHFFFAOYSA-N 426.560 4.936 30 10 IJEE C=CCC1(Oc2ncc(Br)cc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1903472217 SHWXUGVWGWVLFI-UHFFFAOYSA-N 437.256 4.807 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cccc(Br)c1Br 1916314518 LWKOYCBQBUPMGG-UHFFFAOYSA-N 437.957 4.748 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922997556 YDAROWCRCOVYEU-QZTJIDSGSA-N 441.486 4.907 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](C[C@@H]1CCCO1)NC(=O)OC(C)(C)C 1926782666 RWEQTRFRXLYJDW-VABKMULXSA-N 432.605 4.590 30 10 IJEE COCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1947414020 YAKDXBXSEXOSQF-UHFFFAOYSA-N 437.581 4.522 30 10 IJEE C=C(COCCC)[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479294 KWYVQRGAZLFBHR-PKTZIBPZSA-N 434.621 4.838 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)CNC(=O)OC(C)(C)C)c1 1948381047 NMEKWVDQAVHZTB-GOSISDBHSA-N 433.549 4.880 30 10 IJEE CC(C)[C@H]1[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CCN1C(=O)OC(C)(C)C 1962927211 APSGBHPAEARJBO-WBVHZDCISA-N 436.350 4.541 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1 2040498071 BIOYSYONEDKMJZ-XMMPIXPASA-N 445.519 4.668 30 10 IJEE C=CCOc1ccc(C=C(Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 2040499190 UQPVXOUSORQIRP-UHFFFAOYSA-N 429.904 4.909 30 10 IJEE C=CCC1(C(=O)Nc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2060608060 BXINAVAUFIKGOJ-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)c(O)c1 2079013773 QHPHXJUZLOTYFU-KRWDZBQOSA-N 447.320 4.814 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2079886230 YNLKILMAJZQRML-CQSZACIVSA-N 432.240 4.871 30 10 IJEE N#Cc1cc(N[C@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)ccc1Br 2156351463 HRHWIARIWBPCBP-HXUWFJFHSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccc(Br)cc1C#N)c1ccccc1 2174565156 KLQKOJMVSXENSA-UHFFFAOYSA-N 430.346 4.852 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1c1ccc(Br)cc1C#N 2174811541 ZDDBHLOPPJPZJK-KRWDZBQOSA-N 448.283 4.747 30 10 IJEE CCC[C@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCN1C(=O)OC(C)(C)C 2181138310 ZQRDTBAKATZEMZ-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cccc(F)c2Br)NCC)C1 2183006072 GPNFTEZMMADCLN-KRWDZBQOSA-N 441.385 4.970 30 10 IJEE N#C[C@@](COc1ccc(OCc2ccccc2)cc1)(NC1CC1)C1(Br)CC1 2206669725 QLWZUNLHSHJMCU-QFIPXVFZSA-N 427.342 4.586 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCCO[C@H]1CN(C(=O)OC(C)(C)C)C2 2221331917 YQIYYWPZHHCXPJ-FXSPECFOSA-N 444.616 4.544 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)CC#C[Si](C)(C)C 2229116748 QYLXRPOTPGJBPB-QGZVFWFLSA-N 438.438 4.725 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC 2262198654 ANUVUAYCDDOPFD-SQJMNOBHSA-N 447.572 4.657 30 10 IJEE C[C@@H](Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)c1cc(Br)cs1 2266057601 JUGKEVUFYNIFKW-SNVBAGLBSA-N 427.148 4.517 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CCC3)n(C3CC3)c2)OC1(C)C 2267502108 IYBLPTGQWNCIDW-UHFFFAOYSA-N 434.389 4.565 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cc(Br)cc(OC(F)(F)F)c1 2272998555 HZPPSAFOZVMARQ-KBPBESRZSA-N 440.256 4.851 30 10 IJEE O[C@@H](C#Cc1ccc(Br)cc1)c1ccc(I)c(Cl)c1 2278805825 IVWCDPOSTXZNAM-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@H](N)C#Cc2ccc(Br)cc2)s1 2278814503 SSUBFTKWLNKOOJ-OAHLLOKOSA-N 436.375 4.564 30 10 IJEE COc1ccc(Nc2ccc(C#N)c(Br)c2F)cc1I 2280463995 WRHZXIWMGFDBBP-UHFFFAOYSA-N 447.045 4.817 30 10 IJEE C=CCCC1([C@H](Cc2cc(F)ccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281048588 RRFYIMUVILGDIX-SFHVURJKSA-N 441.385 4.922 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCCC1 2281833882 JBNLIMQCNQCPLG-UHFFFAOYSA-N 449.400 4.827 30 10 IJEE C=CC[C@]1(COc2nnc(Br)c(C)c2C)CCCCN1C(=O)OC(C)(C)C 2287725189 KLBPDULVHJZDSV-HXUWFJFHSA-N 440.382 4.971 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2296215790 DNASFYFLVJENAX-JKSUJKDBSA-N 449.311 4.624 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(F)cc1I 2296219545 PKCSYVDZNCYPBV-INIZCTEOSA-N 444.085 4.505 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(N)C#Cc2cccc(Br)c2)C1 2296270936 BNLDYLLMRYHVEK-JUXOCIIHSA-N 433.390 4.555 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2296299561 WQWQBVREOFVUGR-RNQOJCNYSA-N 433.390 4.567 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296310244 HFDYXAXTHSRNST-IEBWSBKVSA-N 435.406 4.672 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)ccc3C2=O)c(OC)c1 2296865867 LMFTUCGSCRFBMF-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(F)cc1 2318571863 UPZTWGCCLPAVOD-UHFFFAOYSA-N 426.517 4.721 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)c1OC 2324023703 HMXPSMPWQTYDEC-UHFFFAOYSA-N 443.499 4.978 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324288478 DOAQQRKPBQXSAW-UHFFFAOYSA-N 444.867 4.545 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324372139 GJSJAMOHOBGQJA-INIZCTEOSA-N 444.443 4.925 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 2324585049 SFMRCQBEEZZJIR-LJQANCHMSA-N 448.500 4.504 30 10 IJEE CCOc1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC)cc1OC 2327457860 IWKJLEDOUTXEGP-UHFFFAOYSA-N 448.495 4.537 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2330810537 OBNCMTTYURGADC-IBGZPJMESA-N 436.247 4.882 30 10 IJEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cn(C)c2ccccc12 2331615307 IRBJDBNPTPKNGV-UHFFFAOYSA-N 443.935 4.883 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339546786 KPKFBEKJZUGALS-ROUUACIJSA-N 443.397 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CCC=C[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339580639 DUMYXDHNMRHUAJ-IBGZPJMESA-N 442.365 4.671 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2358671036 DQKZKVDRROBEGU-YSIASYRMSA-N 435.406 4.862 30 10 IJEE CC#CCN(C[C@H](NCCC)c1nc(C(C)C)[nH]c1Br)C(=O)OC(C)(C)C 2363127517 YPWBVGHTUIFUGE-HNNXBMFYSA-N 441.414 4.597 30 10 IJEE CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1 1549345 PJFQWSNOXLEDDZ-MGPUTAFESA-N 435.484 4.690 30 10 IJEE C=CCOc1cccc(NC(=O)COc2ccc(Br)cc2Br)c1 8904936 VHNQGXCVXJEYDA-UHFFFAOYSA-N 441.119 4.794 30 10 IJEE C=CCN1C(=O)[C@@H](C)Oc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081286 BBGGUTRPZKUYJO-QWHCGFSZSA-N 435.307 4.699 30 10 IJEE Cc1cc(F)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 20905388 UBLWYDNIQIERDC-WYMPLXKRSA-N 434.500 4.582 30 10 IJEE O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 33958707 HHYJFDVMDIHQTN-VWMKYZTGSA-N 441.314 4.713 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C\C(=O)c3ccc(OC)cc3OC)cc2OC)c1 34955312 WHXCQOKFIVOGFP-WQLSENKSSA-N 448.471 4.836 30 10 IJEE C=CCNC(=O)Cc1ccc(N(Cc2ccc(OC)cc2)C(=O)c2cccc(F)c2)cc1 37555998 CQBCSSIVEGOVQS-UHFFFAOYSA-N 432.495 4.526 30 10 IJEE O=C1/C(=N\O)c2cc(Br)ccc2N1CCCOc1ccc2ccccc2c1 39854101 GOSHRINRKMBDTG-ATJXCDBQSA-N 425.282 4.596 30 10 IJEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)c1OC 41649028 MPXFFYHTEYGTJU-QRVIBDJDSA-N 443.499 4.981 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)c(C(F)(F)F)c1)C(=O)OCc1ccccc1 67794561 LWMYTNWKOSVYPI-IBGZPJMESA-N 448.441 4.756 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(Br)cc1 100196555 RXHBBJQFCHLESP-HLGQQVFSSA-N 446.370 4.738 30 10 IJEE O=[N+]([O-])c1ccc(NCC/N=C\c2cc(Br)ccc2O)c(C(F)(F)F)c1 101645863 DICKXCYNANPYOD-NKVSQWTQSA-N 432.196 4.613 30 10 IJEE C#CCN1CCC(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)CC1 108934035 XMWLSOXDHLIIDQ-UHFFFAOYSA-N 441.906 4.690 30 10 IJEE CCOc1cc(/C=N/Nc2ccc(C(=O)O)cn2)ccc1OCc1ccccc1Cl 169877906 KEQFPRIOXNTVNN-BRJLIKDPSA-N 425.872 4.857 30 10 IJEE Cc1ccc(COc2ccccc2/C=N\n2c(S)nnc2COc2ccccc2)cc1 169914234 PLYLJNNAHUGYJR-MYYYXRDXSA-N 430.533 4.915 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 169975436 CUWPKTWPXVXUDV-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccs1)c1ccc2c(c1)OCO2 169985492 LWXBLHHIHJFIFO-LJQANCHMSA-N 439.876 4.913 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170049891 NBACHHZTPZXATK-QHCPKHFHSA-N 438.439 4.680 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2)cc1 170054639 GIYNMRAQTOZBGI-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2F)cc1 170069730 GSIBIBQFISFFCG-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1CCCOC(C)C 170107838 WTEJLSIWJWICDP-OAQYLSRUSA-N 427.566 4.769 30 10 IJEE CC(C)(C)Oc1ccccc1CN1CC(=O)C(c2nc(-c3cccs3)cs2)=C1N 170180810 RAQZAFIWVVFIIZ-UHFFFAOYSA-N 425.579 4.761 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)c1 170198261 ORCADXHNHUAQDW-LJQANCHMSA-N 440.908 4.584 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(F)cc2)cc1C 170238025 NVIGWAGOKWGAAJ-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1ccc(F)cc1 170243902 IOZCIKKQVMRKSS-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccccc1C 170270084 XQFSUMAKLAQOPY-QFIPXVFZSA-N 437.536 4.526 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(C)o2)c(C)c1 170304827 CTEWOTDCYQOQFV-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C[C@H]1CCCO1 170315761 HIYUXLAQPFWDPI-QUCCMNQESA-N 441.549 4.601 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)cc1OCC 170371926 UNPFQGZLDGNQNW-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CC(C)COc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(O)cc2)cc1 170450611 OKZWVHMJOLBTBK-XMMPIXPASA-N 437.536 4.938 30 10 IJEE CC(C)(C)OC(=O)N(CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)Cc1ccccc1 196958024 YDOCXULFFUUMPL-UHFFFAOYSA-N 437.389 4.966 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(OC)c1 440733746 KUGJGJCJXILSEV-LJQANCHMSA-N 425.916 4.696 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 444987774 GFRYRZPGWMRCGL-UHFFFAOYSA-N 442.441 4.620 30 10 IJEE Cn1cc([C@H](NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)C(F)(F)F)cn1 446185361 VUUHFOGXEQRBMZ-NWDGAFQWSA-N 448.289 4.645 30 10 IJEE C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCC4)nnc1-c1ccccc1C 488924210 FABZHDXFECFISM-UHFFFAOYSA-N 435.578 4.931 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](c2ccsc2)C1 508930554 MHTOKAQCJRPVPQ-QGZVFWFLSA-N 449.349 4.672 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2OC)c1 526489124 GAVSZUCXAFEJRR-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 585954094 GSVSZMBXYIEMAA-WOJBJXKFSA-N 440.632 4.816 30 10 IJEE C=C(C)CN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(C)c(C)c1 586128878 VYJUAQRDKCKZMW-UHFFFAOYSA-N 431.598 4.910 30 10 IJEE C=CCCCN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 605645351 GMNPBPVCLATTOL-UHFFFAOYSA-N 430.961 4.757 30 10 IJEE Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)n(CCC#N)n1 609020381 GPHDAWGLBVUOKS-UHFFFAOYSA-N 430.443 4.577 30 10 IJEE CN(CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1ccc(Cl)cn1 609073058 VNCHQQHFDBBHIJ-UHFFFAOYSA-N 441.318 4.914 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OC 609643955 BJXJZYVPSKKDGT-SFHVURJKSA-N 430.504 4.515 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2Cc2ccccc2)C1 619819215 MGHQZDWCBLSJPG-RUZDIDTESA-N 443.482 4.607 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 670205432 ZGDAROXICOOGRB-UHFFFAOYSA-N 444.579 4.979 30 10 IJEE C=C(C)CN(C)c1nnc(-c2ccccc2OCc2ccc(F)cc2)n1C[C@@H]1CCOC1 670347581 IZAKDXWGWMZZEC-FQEVSTJZSA-N 436.531 4.712 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)cc(C#N)c1 687754235 QAJXWNCKPQENEV-SANMLTNESA-N 444.462 4.926 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(F)cc1Br 698375331 NBDQNSXQKMJCOB-KRWDZBQOSA-N 428.346 4.732 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726506555 IXEBXEONESFNFX-QFIPXVFZSA-N 435.524 4.898 30 10 IJEE CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(N2CCOC2=O)cc1 748585231 DTFOPRTYQLCXSP-UHFFFAOYSA-N 438.491 4.727 30 10 IJEE C=CC[C@]1(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)CCCN1C(=O)OC(C)(C)C 753423819 UGRQCMOBKHVOJG-BXKMTCNYSA-N 441.528 4.995 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN(C[C@@H]2CCCO2)C2CCCC2)c1=S 765036780 FGZVPLGTDSUSPX-NRFANRHFSA-N 428.602 4.657 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 809908562 WOVOGGXBCYOMSO-KRWDZBQOSA-N 435.503 4.733 30 10 IJEE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806837 RAJKGSWPMHLWTN-CZUORRHYSA-N 435.455 4.780 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](OC)c1ccccc1)c1ccc2c(c1)OCCO2 1124425770 FOLAJAZXPZKNQM-SANMLTNESA-N 445.515 4.944 30 10 IJEE C#C[C@H](NC(=O)c1cccc(OCc2csc(C)n2)c1)c1ccc(Br)cc1 1129608592 GXSQZHBRGSPAHD-FQEVSTJZSA-N 441.350 4.897 30 10 IJEE C=CCn1c(SCC(=O)OCc2cccc(OC)c2C)nnc1-c1ccc(Cl)cc1 1130948067 SLPJTMZQDZLBKC-UHFFFAOYSA-N 443.956 4.937 30 10 IJEE C#CCN(CC(=O)Nc1nc(-c2ccc(CCC)cc2)c(C)s1)C(=O)OC(C)(C)C 1135903458 WCNDIMZAEIMPPQ-UHFFFAOYSA-N 427.570 4.880 30 10 IJEE COc1ccc(Cl)cc1-c1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)n[nH]1 1143284478 ADUFKILEAXFWHR-UHFFFAOYSA-N 441.944 4.661 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 1155169754 ALDPUMSDPBACPR-SANMLTNESA-N 446.934 4.922 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1)C(C)(C)C 1160298438 YNQGWNWVEQWUDF-JOCHJYFZSA-N 440.609 4.871 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl)c1ccc(F)cc1 1190595622 QVUSWXOEISGKHT-CQSZACIVSA-N 437.117 4.548 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc1OCC 1199678245 KXWIKBCEIURMKP-FGTMMUONSA-N 439.438 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1199732539 XVXGWNZJCSRPIK-AVRDEDQJSA-N 425.916 4.893 30 10 IJEE C#Cc1ccc(NC(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)cc1 1210354401 AAVSHPYMZSWEFN-UHFFFAOYSA-N 429.705 4.973 30 10 IJEE C#C[C@H](CC)NC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1211000152 YVCRVSMDLAACTR-APWZRJJASA-N 436.408 4.865 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1212213595 FUPGZGJTBOPJPT-UHFFFAOYSA-N 429.444 4.713 30 10 IJEE CCN(CC)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)Cc1ccccc1 1214620727 HMPHNYJLXHPMMI-QHCPKHFHSA-N 443.551 4.820 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CCCc2ccccc21 1220478441 ZDFAETAXFZDCQO-UIOOFZCWSA-N 431.580 4.555 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1)c1ccccc1 1224389167 RBGKXFCGHABENU-HSZRJFAPSA-N 440.547 4.806 30 10 IJEE C#CCN(C(=O)NC[C@]1(C)CC1(Cl)Cl)[C@H]1CCOc2ccc(Br)cc21 1251195618 SDOFXKZMJIXNLK-YOEHRIQHSA-N 446.172 4.501 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 1275389062 DIVPPNBABFMYFO-FQEVSTJZSA-N 441.325 4.917 30 10 IJEE CCC(CC)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)OC(C)(C)C 1276730030 FFRVKTSPKMSNFY-UHFFFAOYSA-N 426.513 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC1(COC)CCC1 1286273811 JNEPQVFYNMFWTN-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC1CCCC1 1286278601 DYOBOUGCVFXWGE-ZWKOTPCHSA-N 426.630 4.939 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@@H](O)C1 1286450583 DYVADBCEKMUUBX-IRFCIJBXSA-N 445.007 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(Br)cc2)nnc1C(C)(C)C 1286566533 NGKLAZXVQJEBCC-MJGOQNOKSA-N 447.421 4.956 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1286605527 ZNKXOEFBRFKKFH-OALUTQOASA-N 437.613 4.725 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@@H](C)N2CCCCC2)CC1 1286637729 LRQRPMSGNYXUDO-NHCUHLMSSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(N(C)C)CCCCC2)CC1 1286647486 HSEAVRAOJIJSRP-UHFFFAOYSA-N 428.024 4.943 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286682942 YJAXIDYKVVZFSH-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC(F)(F)C1 1286743454 HRWNZEXEUKYNJI-OFNKIYASSA-N 446.542 4.558 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286762222 CJWGBNQBMOUQKV-GOSISDBHSA-N 445.608 4.659 30 10 IJEE C=CCN(CCOC)c1nnc(CCc2ccccc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286768791 HWRVWXUBRJJHLM-WOJBJXKFSA-N 436.522 4.996 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)c2ncc(C)s2)C1 1286808362 VYKANLBFLOKIBW-GHTZIAJQSA-N 437.613 4.527 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1286835217 SYFRNMOSLIIZAQ-RTBURBONSA-N 432.659 4.723 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cccc(C(F)(F)F)n1 1286960525 GQPDTYIPOIFCQY-AWEZNQCLSA-N 440.429 4.749 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1295396016 BHXJJMCVCBTBRV-QFBILLFUSA-N 426.590 4.587 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)OCC 1296822362 CWNURYDNKFXPTR-IRXDYDNUSA-N 439.396 4.995 30 10 IJEE C=CC1(CC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)CN(C(=O)OC(C)(C)C)C1 1297122678 QBOIXQLZECVKFS-KRWDZBQOSA-N 426.479 4.918 30 10 IJEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)C1CCCCC1 1300403326 KGGISQDTVKPCHE-UHFFFAOYSA-N 446.599 4.637 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N(C)c1ccccc1 1300441332 LBZARYZHNRMOJN-OALUTQOASA-N 433.625 4.726 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCN1CC 1300602239 BGTYUJGPVPGBIC-MRXNPFEDSA-N 428.005 4.757 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CCC(C)CC1 1300734474 VDVNQBFIPDHBBT-QPIRBTGLSA-N 430.593 4.939 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 1300843628 HCVMJSZKAKDZSX-SFHVURJKSA-N 435.341 4.736 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1301001107 CIIAGPLWEOTBPE-YADARESESA-N 447.624 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cc(Br)ccc2F)CC1 1301118894 NWXRVBFVQFCGFM-UHFFFAOYSA-N 444.352 4.820 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301199078 WKILWAMYOULGRM-HXUWFJFHSA-N 436.629 4.963 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCCC[C@H](SCC)C2)cc1 1301525175 HVIWMOIBDWIPGW-IRLDBZIGSA-N 442.629 4.507 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)n1 1302540883 DFKVYEHRGMWEFH-HOTGVXAUSA-N 438.626 4.775 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)Cc3ccc(Cl)cc3Cl)ccc2c1=O 1306472172 IYHLBUUIQDDGGZ-GFCCVEGCSA-N 448.375 4.539 30 10 IJEE CCCCN(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC2(C)C)CC1 1306679240 GFJCDQQBFFWRKL-HSZRJFAPSA-N 434.632 4.811 30 10 IJEE CCN(CC)c1ccc(-c2nnc(SCC[C@](C#N)(C(C)=O)c3ccccc3)n2C)cc1 1307275845 GPLWFRXJUWEDFT-VWLOTQADSA-N 447.608 4.861 30 10 IJEE CC(C)N(Cc1cc(Br)ccc1F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1307435553 BSFGNSPZURKSRM-OAQYLSRUSA-N 444.348 4.866 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)cc2n1 1311237958 ROFDBNUISYXUHT-KRWDZBQOSA-N 430.339 4.930 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 1312308646 GMYIYGIDVFOIHP-WMZOPIPTSA-N 448.514 4.806 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)COc1ccc(Cl)cc1Br 1339187794 JSORYVXGVZKPGR-UHFFFAOYSA-N 445.096 4.780 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2sc(CCC)nc2C)c(C(=O)OCC)c1C 1349735326 YHGJHPXVEPPUEV-UHFFFAOYSA-N 436.555 4.546 30 10 IJEE C#CCO[C@@H](C)C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1350907021 ACAOKOHZGCVYMD-DZGCQCFKSA-N 439.364 4.667 30 10 IJEE C=CC[C@@]1(C(=O)N(C)c2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1352644605 AHQNMQZXMWIGFV-FQEVSTJZSA-N 428.451 4.894 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c(C(=O)OCC)c1C 1353745747 BDZYGAFXQGXCQB-MRXNPFEDSA-N 445.562 4.540 30 10 IJEE C=CCN(C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccccc1 1355007357 DHKVPRUXBOHPEB-XDJHFCHBSA-N 426.538 4.636 30 10 IJEE C=CC[C@]1(C(=O)NCc2nc3cc(Cl)ccc3s2)CCCN1C(=O)OC(C)(C)C 1356407879 MKMCJBNVIVHSSJ-OAQYLSRUSA-N 435.977 4.912 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)C(C)(C)C 1358878674 BEOYVKAYKUWQLY-CRAIPNDOSA-N 433.394 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCc1ccc(Cl)s1 1358897604 BZFSIEJFKJAETF-INIZCTEOSA-N 428.989 4.835 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1358907209 HTBVJMRJDAVAEZ-CVEARBPZSA-N 449.418 4.578 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(C)cc(C)cc1C 1358998605 KZPXRKVPBUYFAW-ISKFKSNPSA-N 432.612 4.633 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ncc(CC)s1 1359001764 CQOJSFFOQNGBLM-UHFFFAOYSA-N 448.621 4.904 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C)C1 1359091131 JHBZMCFXHCJEFW-VWNVYAMZSA-N 428.552 4.775 30 10 IJEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)C1CCCCC1 1359121157 ZKRFKKCGUCUGEE-SFHVURJKSA-N 434.588 4.656 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1359176553 FOFRUYMYRMEOMZ-JOCHJYFZSA-N 436.991 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccccc2Cl)nnc1[C@]1(OCC)CCOC1 1359191986 RWJZACIXGCJNMM-QHCPKHFHSA-N 432.996 4.822 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(C)nc(N2CCCC2)c1 1359232620 ZFVYXMSFIUFPOM-HSZRJFAPSA-N 430.600 4.794 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H]1CCO[C@H](C)C1)C1CC1 1359247835 QUROQNCZNKSCOR-SJORKVTESA-N 432.515 4.907 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC(F)(F)C1 1359256595 KEXLOPVCSXXQGL-QFIPXVFZSA-N 448.521 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CC[C@@H]1COCCO1 1359262023 DTXHYRUVGXDXNB-LJQANCHMSA-N 444.988 4.658 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C)c1 1359287378 ZTAIKAYSPSVIGZ-FQEVSTJZSA-N 425.577 4.523 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC2(CCC2)C[C@H]1CC 1359343922 GFSJZCDMKWLUQU-HXUWFJFHSA-N 426.630 4.956 30 10 IJEE CCC[C@@H](C)N(C(=O)CSCc1ccc(C#N)cc1)c1nc(C)c(C(=O)OCC)s1 1360849472 FTJYSKXMCATTKV-OAHLLOKOSA-N 445.610 4.955 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCOc1ccc(Br)cc1 1458983639 FDYHSCIUAPPUOG-UHFFFAOYSA-N 432.343 4.934 30 10 IJEE C#CCSc1ccc(COC(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)cc1 1459023874 JVDCGUQSEOWXOV-UHFFFAOYSA-N 432.589 4.877 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n12)c1ccc(F)cc1 1466666528 OCTCCWDQZZYHEI-GOSISDBHSA-N 448.889 4.697 30 10 IJEE C=CC[C@H](C)Sc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1 1472909905 BQCVHPVEIZSRDA-KRWDZBQOSA-N 441.622 4.514 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1OC 1474157206 OIRYJPZRALPBJG-IERDGZPVSA-N 446.950 4.894 30 10 IJEE CCCc1c(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cnn1-c1cccc(C#N)c1 1476433239 FPSICRKOTZDQFR-YIOTYYGMSA-N 449.599 4.880 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 1478273407 WZVUULJRCYKTLH-VQTJNVASSA-N 431.458 4.595 30 10 IJEE CC(C)(CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1F 1478501582 DPBLJWOWKYYBDW-UHFFFAOYSA-N 442.966 4.546 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CC[C@@H](F)C2)cc1 1502850600 CMCPNIVEMODPQI-AKHDSKFASA-N 429.540 4.693 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1503466521 HVKZJSLUUNHFDK-HNNXBMFYSA-N 430.002 4.921 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccsc1)N(CC)CC 1507542696 SAMSSWHPHXPPLD-YLJYHZDGSA-N 427.643 4.533 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1507559855 XDTRWWGYXHBGIN-HSZRJFAPSA-N 446.599 4.718 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCCC2)CC1 1507571241 ULUUSKNYADUTLK-UHFFFAOYSA-N 449.643 4.732 30 10 IJEE C#CCCCCn1c(N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1507576345 XYEGYDAHLZTZLO-GOSISDBHSA-N 431.625 4.509 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1CC1(OC)CCC(C)CC1 1507673366 RVPWOVUBLQTCFM-UHFFFAOYSA-N 432.612 4.512 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1CCCCO1 1507677967 BFPXHBAAJQPRTD-HSZRJFAPSA-N 431.584 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)N(C)C1CC1 1507813844 BRBCJYPHADHCGL-QGZVFWFLSA-N 446.437 4.901 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@H](CC)C1 1507858069 BGUXXRHKOILISX-TZMCWYRMSA-N 443.748 4.603 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507932669 XPPMOFITZRZCHA-UHFFFAOYSA-N 449.521 4.505 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(OC)C1CC1 1508011257 BIKJVEXKFHOFOU-OAQYLSRUSA-N 449.368 4.840 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1508106351 XLHOTRYWOHKYPM-KRWDZBQOSA-N 425.602 4.978 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](CC)Oc2ccccc2F)C1 1508125226 ODPWUDDVCFQDNE-OALUTQOASA-N 430.568 4.645 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1508150730 PJXYREKXJRMGAJ-IBGZPJMESA-N 441.988 4.570 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1508154643 ZEYCDGFVGNWYGM-UHFFFAOYSA-N 439.629 4.750 30 10 IJEE CC(C)c1csc(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)[C@H](C)CC#N)n1 1508887753 ASZXCPPNULZMNE-MRXNPFEDSA-N 446.584 4.702 30 10 IJEE C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c1 1518226652 RTFNKUZVXBDIMS-SFHVURJKSA-N 448.544 4.644 30 10 IJEE CC(C)(C)c1ccc(C(F)(F)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 1523330854 AOUVGNOCYDKQOM-UHFFFAOYSA-N 427.495 4.849 30 10 IJEE C=CCCC[C@H](C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21)c1ccccc1 1523546797 MRXUXWNPBYCHBP-QHCPKHFHSA-N 440.609 4.746 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccc(C)s3)cs2)CCCN1C(=O)OC(C)(C)C 1525256695 BSOGVWVDNGESKU-OAQYLSRUSA-N 431.583 4.912 30 10 IJEE C/C(=C/C1CCC(C)CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1526183709 JWCYHHBJBVSANF-MPLYPXPUSA-N 445.629 4.991 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2C)ccc1Cl 1528830774 GMRZOBNSRIRKHD-JXFKEZNVSA-N 432.973 4.640 30 10 IJEE Cc1ccc(Oc2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)nc2)cc1 1529382605 CATNHKJGHKGQIV-UHFFFAOYSA-N 440.503 4.545 30 10 IJEE C#CCN(C(=O)CSc1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1529626230 AFEXLRYAKYONEQ-SFHVURJKSA-N 434.330 4.666 30 10 IJEE Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1530614755 AZBLYFWDFXDRRA-UHFFFAOYSA-N 439.306 4.725 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C/SCc2ccco2)c(C(=O)OCC)c1C 1532545499 RRJXZLSFCAWGHJ-DHZHZOJOSA-N 435.523 4.555 30 10 IJEE C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)N1Cc2ccccc2C1=O 1536947503 HQJBTKFDIWAWCD-MRXNPFEDSA-N 445.906 4.774 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 1538120348 HWLJUKCBITWXJH-GJZGRUSLSA-N 442.478 4.740 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1539035516 RDAHPVKHDZEPHW-GOSISDBHSA-N 446.064 4.946 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CCc2cccs2)CC1 1539096125 RIQPYXZCSVFXDC-DEOSSOPVSA-N 447.652 4.660 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(SC)CCC1 1539296715 TZCMFJUEBOSOJY-SFHVURJKSA-N 443.016 4.820 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1539539942 AACYIURAOZNBDQ-MFSJNOQSSA-N 444.526 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539632925 VTNQAVIIMTYABR-GNKBHMEESA-N 447.627 4.789 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Cc2ccccc2)C1 1539686427 VETGMFZKCGHADB-QGZVFWFLSA-N 426.362 4.681 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1539693559 OXRITRWJSIZSAD-OAQYLSRUSA-N 434.588 4.674 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539848971 SFGRDMNBZTYFDO-RTBURBONSA-N 431.625 4.669 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C(C)C)CC1 1539860462 AZEWPGMRCFMMAE-KDURUIRLSA-N 431.625 4.887 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CC=CCO2)CC1 1539874992 SLRJCLSQPRGMLK-CVDCTZTESA-N 438.572 4.564 30 10 IJEE COc1ccc(F)c(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1539889591 AGSMJGADBUUMQS-UHFFFAOYSA-N 425.300 4.567 30 10 IJEE C=CCN(C)c1nnc(CCOc2ccccc2)n1CCc1nc(C(C)(C)C)cs1 1540084480 VMBKMLPPFKRNPP-UHFFFAOYSA-N 425.602 4.519 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCc1c(C)noc1C)C1CC1 1540098819 JBSZKMXJDOVCGQ-UHFFFAOYSA-N 448.390 4.771 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1540139216 AGEIZECRULJEHB-MRXNPFEDSA-N 441.567 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1CC1CC(C)(C)C1 1540140331 NCEAVTICNIYSPL-QHCPKHFHSA-N 430.618 4.621 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@@H]21)C(C)C 1540146836 FTVUTVFXTKNFSZ-KMDXXIMOSA-N 430.600 4.504 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCSC1(C)C 1540180697 SPGIMCFVAGBVPF-RTWAWAEBSA-N 426.630 4.549 30 10 IJEE O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H](O)c1ccccc1C(F)(F)F 1541035812 HIFYACDEIWFSBN-ZDUSSCGKSA-N 427.272 4.580 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1OC 1543517523 DBVAIXHNFLRFMT-CYNGKWMKSA-N 434.580 4.863 30 10 IJEE C=CC1(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 1543948966 KWEILHAMNXNKRT-QHCPKHFHSA-N 432.564 4.974 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C 1544540772 NSXCTVFMKHUPQR-GOSISDBHSA-N 426.479 4.749 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CCN2CCCCC2)cc1 1544959642 QEADPSJEZBRFKA-HXUWFJFHSA-N 435.996 4.689 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)s1 1545622693 HTMBKUOGGFSYOR-SWLSCSKDSA-N 429.032 4.889 30 10 IJEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCCC2)C1 1547222783 HUQUVCPQQKGQGF-QHCPKHFHSA-N 448.615 4.530 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)c2)cc1 1557131460 BKIVWIQTACFYRW-DNQXCXABSA-N 432.907 4.739 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1 1558713236 HEOSSXNCQXQHMR-UHFFFAOYSA-N 440.496 4.921 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)c(Br)c2)CC[C@@H]1C(F)(F)F 1559282456 SJRPQSPPJNUHLV-DZGCQCFKSA-N 448.283 4.603 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1564406256 CBNOLQNBHFSECN-SFTDATJTSA-N 445.485 4.904 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)[C@H]1CCCO1 1585511125 CKHBXQSQROTDCG-SIKLNZKXSA-N 435.321 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1OCc1cccc(Br)c1 1586231335 DHZGMRCAVGQGPR-DYESRHJHSA-N 430.342 4.739 30 10 IJEE N#Cc1cccc(N(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C2CCC2)c1 1587314052 HKAOXRUJSSHLAG-UHFFFAOYSA-N 430.529 4.731 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1cc(C)oc1C 1587592864 GARLYQYUAXTVHZ-XMHCIUCPSA-N 447.366 4.827 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(C)(C)C)CC1 1587883437 ASORMDFEBYOJKH-UHFFFAOYSA-N 437.632 4.623 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCc1csc(C(C)C)n1 1587922158 UHNBLQKMIFFRRN-UHFFFAOYSA-N 444.402 4.600 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1589421151 DZRKHDMGPJXJDR-UHFFFAOYSA-N 425.758 4.741 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 1594552277 KLTKFDQOJNOMNL-NZQKXSOJSA-N 437.632 4.578 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](OCCOC)C1 1594692871 JHQKDYGYDHXSHX-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC(C)CC1 1594866586 FOLIXUVHTBJVEW-UHFFFAOYSA-N 432.616 4.707 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCN1CCC[C@@H](C)C1 1595094058 LPVYKTVWSHZQDD-OAQYLSRUSA-N 432.616 4.732 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C2CCC1(C)CC2)C(C)C 1595165954 NWMDHTJNPZRBRF-NHXWLTBQSA-N 434.632 4.868 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2)C1 1595895682 OCVFYMRDBHMYGV-LJQANCHMSA-N 425.627 4.547 30 10 IJEE O=C1/C(=C\c2ccccc2)S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 1615304762 LAHXNHHRCRQPCP-WLAAGDGTSA-N 432.461 4.694 30 10 IJEE COCC1(CCn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@@H](C)C#N)CCC1 1619636798 FPDUGDJZWSKUMF-ROUUACIJSA-N 441.645 4.934 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1622047400 SSNPTEPKKRXTRE-OAHLLOKOSA-N 437.251 4.776 30 10 IJEE COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C#N)c(F)cc2F)c1 1624591766 ATPNPFJGURGDEP-UHFFFAOYSA-N 430.414 4.950 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O 1626689089 IAWRYPCQMXGDGB-MRXNPFEDSA-N 446.816 4.539 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1633751936 NXZFUKMQXRTEPA-HNNXBMFYSA-N 438.471 4.544 30 10 IJEE C=C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC)c1ccccc1 1634874202 OVSLREQBDTXEQH-IFMALSPDSA-N 436.552 4.785 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC([C@H]4CCOC4)CC3)c2C#N)C1 1645010332 BTDYPCSZKNDZOC-RBUKOAKNSA-N 443.657 4.848 30 10 IJEE C=CCNC(=O)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 1652420486 PVFBBOBEFRZPAL-UHFFFAOYSA-N 440.956 4.605 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2ncc(Cl)cc2Cl)CC1 1654039283 FCCPRIVKRDDXCZ-SFHVURJKSA-N 440.172 4.533 30 10 IJEE Cc1oc(NC(=O)CN[C@@H](Cc2ccccc2)c2nc3ccccc3s2)c(C#N)c1C 1654460879 BVBYWINOOUCPRU-FQEVSTJZSA-N 430.533 4.890 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 1655146499 BPFVDILMDQSHFS-INIZCTEOSA-N 443.725 4.639 30 10 IJEE CC#CC[C@H](CO)NCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 1657605599 XYIPVNQHQWOQCM-OAHLLOKOSA-N 426.713 4.898 30 10 IJEE COc1ncc(NC(=O)N(Cc2ccccc2Br)C2CCCC2)cc1C#N 1664601796 CDIDMNKDXZZQQC-UHFFFAOYSA-N 429.318 4.701 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1-c1noc(C2CC2)n1)c1ccc(Br)cc1 1665384454 YHRVCMBRPIIEOK-QGZVFWFLSA-N 437.297 4.873 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1666970438 DRDUTJSOBQVION-SFHVURJKSA-N 448.548 4.608 30 10 IJEE CC(C)(C)Oc1c(F)cc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1F 1669653177 AEEFZCVPXRBIMH-UHFFFAOYSA-N 442.510 4.800 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1cc(N2CCOCC2)ccc1Br 1670035928 KLMLYOYBILHILH-UHFFFAOYSA-N 436.375 4.567 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(OCC)cc1)c1cccc(Cl)c1)C1CCN(C)CC1 1670802184 XVZXMVAYMBCNAS-XMMPIXPASA-N 439.987 4.567 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)Nc3cc(Br)cc(C(F)(F)F)c3)C2)cc1 1675014072 HIOORMGMNZRMOM-UHFFFAOYSA-N 440.219 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 1676890569 YHHBIROTQWUDBN-CVDCTZTESA-N 444.959 4.578 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)cc1I 1677276143 GLWZRDNIPGQYCM-HNNXBMFYSA-N 436.293 4.609 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1 1677494166 YNXLRUJEPIQLRX-KKSFZXQISA-N 440.401 4.796 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 1681576980 IRYMOFISLXNUIW-QGZVFWFLSA-N 426.141 4.972 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1 1682352785 UQXGVQIEBZMFGT-RTBURBONSA-N 438.833 4.696 30 10 IJEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1CCC(C(F)(F)F)CC1 1689971247 UJRWERRJRWRSHT-UHFFFAOYSA-N 434.506 4.510 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1690059046 HPZFNMJTNOMEHL-MRXNPFEDSA-N 433.503 4.803 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(CCOC)CC1 1690196236 CPVJHSQTRYTDHA-OAQYLSRUSA-N 443.389 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCCO)CC1 1690241166 PHBSRTCDLOSEMB-IFMALSPDSA-N 445.007 4.569 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690275977 BFBHYZYPELSCLA-OAQYLSRUSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690382115 CERTTXDVHAPDBJ-QZTJIDSGSA-N 430.980 4.871 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCSCC(C)C)CC1 1690403001 YGIZFJFBCOHJQG-UHFFFAOYSA-N 430.618 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1690422428 OGTLHWVZNCMCEC-UYAOXDASSA-N 444.645 4.966 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@](C)(CC)C1 1690473858 JJEVLOINSLPLNB-HXUWFJFHSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](OCC)C1 1690492338 SAAUIXGKNFFBQH-LJQANCHMSA-N 449.393 4.591 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCCc1nccs1 1690559601 HZMQSTDPLBQHTM-OAQYLSRUSA-N 448.596 4.673 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCC1CCOCC1 1690561594 VPBDEQJIOCASCH-UHFFFAOYSA-N 447.608 4.811 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCc1csc(C(C)(C)C)n1 1690561687 ZBAPQLMREVFERB-UHFFFAOYSA-N 434.613 4.901 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1Cc1nc(C)c(C)s1 1690605331 GFBDGAMLPHUQFF-UHFFFAOYSA-N 449.580 4.903 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCCO1 1690605403 IPOFKXGYCDZNND-NRFANRHFSA-N 426.948 4.996 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](OC)c2ccc(Cl)cc2)C1 1690689343 BZLYPTDALIWUMK-FPOVZHCZSA-N 442.947 4.669 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1690740189 MEPUHNIMZFZPNF-IBGZPJMESA-N 436.629 4.922 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCc1cccc(C)n1 1705476577 BMTBELVPZVICJJ-IFMALSPDSA-N 431.584 4.829 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1sccc1C 1705484078 IMKIPKMBWBWXBP-SFHVURJKSA-N 432.549 4.993 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1 1705519494 MRKVXNJBQHOWCH-UHFFFAOYSA-N 434.506 4.872 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCc1csc(C(C)C)n1 1705617035 ULVOVBJWXDBSIY-UHFFFAOYSA-N 437.613 4.756 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C)C1 1705665812 FBCWOMFRISYRRK-OAHLLOKOSA-N 439.412 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN1CCC 1705670608 BNXSGWAYNQXLTR-FDDCHVKYSA-N 429.971 4.604 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1705726160 UTYHYJXOUZUUKV-UYAOXDASSA-N 444.023 4.620 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C=C)CC1 1705789478 MNTWMYBYANKZJI-UHFFFAOYSA-N 446.599 4.680 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705790940 JYQPNVBUSFOWLN-LJQANCHMSA-N 433.000 4.813 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCSC1 1705798483 SUVLNGPZISDTQS-NRFANRHFSA-N 439.000 4.788 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2C)C1 1705800292 SZARQBQLFCFQKM-HXUWFJFHSA-N 430.556 4.584 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN(CC(C)C)C1)C1CC1 1705853511 ANFSMHFCYYJXQK-FQEVSTJZSA-N 425.596 4.531 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CCc1ccsc1 1705863461 TXTRNPBAXJCRRB-UHFFFAOYSA-N 432.597 4.637 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)c1ccccc1 1705867346 MDFNBFHBNOBTIV-SIKLNZKXSA-N 437.613 4.909 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCCOc1ccccc1 1705887646 SFSWVSPINYWMFC-UHFFFAOYSA-N 433.375 4.860 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCC)C1 1705920759 DQXSMIPFYRFCDV-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)Sc2ccccc2)C1 1705927195 SIDYZRAHSPFXIM-PZJWPPBQSA-N 426.630 4.973 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](C)N2CCC(C)CC2)c2ccccc2n1 1707251074 BQFUEUOCYUAKGN-FPOVZHCZSA-N 445.615 4.518 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CC1(CCOC)CCCCC1 1722413875 MIECHIKQMQQJBX-UHFFFAOYSA-N 430.543 4.594 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCSCc1ccccc1F 1722473489 FKTPOULDLWOYDE-NZQKXSOJSA-N 428.577 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC[C@@H](O)C1 1722503132 YPYQLDABCMLAJW-FDFHNCONSA-N 426.605 4.988 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCCc1ccccc1 1722508130 KJVJMOVFCPISFA-SGNDLWITSA-N 438.616 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCOC2(CCCC2)C1 1722588144 LJKRTJXNSSSYLI-UHFFFAOYSA-N 430.543 4.899 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCCN(CCC)C(=O)C1)c1ccccc1 1722596374 HTTQXYGZNQRINM-DEOSSOPVSA-N 449.643 4.819 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)[C@@H]1C 1722612889 MQMVYXSJCMWZBF-ZDUSSCGKSA-N 425.396 4.739 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(SCC)c1 1722632882 LDYIUMSXMRCMJL-UHFFFAOYSA-N 446.418 4.829 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1722648301 MOQDHWAROWBMBB-REPLKXPHSA-N 440.588 4.711 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 1722740675 YNPGLHXTDANTSW-OALUTQOASA-N 449.665 4.752 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1722742069 HCUXEQDQNQKLJC-UHFFFAOYSA-N 438.622 4.849 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCSC1 1740559288 ZSOKUMQAFSYXHO-UXHICEINSA-N 426.630 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740634159 HLPAEACXGMEXMY-NUNAXRQHSA-N 448.611 4.646 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CC)C1 1740796265 AGILEQZLVGPKLB-FQEVSTJZSA-N 426.605 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCCOC)CC1 1740844725 SCKCWMWEMLZWLA-UHFFFAOYSA-N 432.996 4.833 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCCC(C)(C)C 1740915724 QBOMRDAHRKYPFV-UHFFFAOYSA-N 439.604 4.542 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCN1CCC[C@H]1C 1740924066 FNPXFQBADVKYPZ-GOSISDBHSA-N 427.643 4.669 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCO[C@@H]2CCCC[C@H]2C)C1 1740982041 SECAAPFIAASIAR-GMKZXUHWSA-N 438.616 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)cc1 1748892569 RHJXHYULGUFOPL-UHFFFAOYSA-N 431.628 4.614 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1748935201 PFWNEFHIKKNIGN-KOUNCHBCSA-N 438.616 4.952 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1748954016 ZTDAXPHYDXXUJC-FQEVSTJZSA-N 442.554 4.764 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCCO2)CC1 1749331592 QELACGBOVCHIFP-OAHLLOKOSA-N 437.407 4.741 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1csc(-c2ccco2)n1 1749499379 GHDOEFDCHASQNP-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN(CC)CC 1760288504 FAQRWAJSJWVPLQ-YADARESESA-N 444.023 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CC(=O)N(C)C1CCCCC1 1760332028 SQPJJFVVPSOWFA-UHFFFAOYSA-N 435.572 4.885 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc(C)o1 1760375679 TWAMFCDSRDQBCF-UHFFFAOYSA-N 449.983 4.683 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ncc(CC)s2)CC1 1760405327 PPBCEEPBUIZMTO-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)C 1760412169 WQRGIJMZXLJPCO-UHFFFAOYSA-N 436.604 4.760 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cc(C)on2)CC1 1760424471 IUQXNOOXWFFAKF-UHFFFAOYSA-N 440.979 4.573 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1760452291 KMLUEPQEMYUZAQ-PGRDOPGGSA-N 437.613 4.609 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)OCC)C1CC1 1760471953 PAEAGEBNHDCLRG-UHFFFAOYSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)N(C)C 1760480666 BCYJLYGUMAEJSB-JOCHJYFZSA-N 444.608 4.897 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1ncc(C)s1 1760484972 OYWHVGZPEVATJQ-VQIMIIECSA-N 441.576 4.682 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1760497427 FVTPYQYEZSNSON-ATIYNZHBSA-N 438.616 4.539 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1760567404 ZLMMLERLSFUJQB-UHFFFAOYSA-N 445.366 4.966 30 10 IJEE Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)ON1C(=O)c2ccccc2C1=O 1772789260 CNRADAHAVBXMKQ-UHFFFAOYSA-N 433.272 4.793 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 1862379831 LYPGJYKRSPIGJL-LJQANCHMSA-N 433.335 4.523 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(O)c2)cc1C 1862400535 HCKUXGHUCXSHTR-OFSQETHSSA-N 435.520 4.866 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862478257 CESITNHYVSMYCE-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862501882 MZCMSXUGWLXXIA-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2cccc(F)c2)cc1 1862662843 LWBFHFPIGHMLDH-QHCPKHFHSA-N 438.543 4.869 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862746307 CNSLPSGDVHWDAQ-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866752460 LMECRAGHMBACDG-YADHBBJMSA-N 441.572 4.704 30 10 IJEE CC(C)(C)CN1CCN(c2cc(Nc3ccccc3C#N)nc(-c3ccccc3)n2)CC1 1868372711 JXQSMSDCZIROTG-UHFFFAOYSA-N 426.568 4.927 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1 1868936794 YDVTYHDQYPCKKY-UNMCSNQZSA-N 434.621 4.784 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccc(Cl)cc2)n(C(C)(C)C)n1 1870000762 XICDZIHAAZJMNF-UHFFFAOYSA-N 431.968 4.663 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2c(C)cccc2C)n(-c2ccccc2)n1 1870001628 MFHGQZASJVDRIU-UHFFFAOYSA-N 445.567 4.860 30 10 IJEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870813050 UHQBOQUTNDXSTE-XMMPIXPASA-N 449.938 4.894 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870866841 YUKOJIIIHDJTLT-UHFFFAOYSA-N 439.339 4.674 30 10 IJEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)c1 1871352640 VKTLFIBHUZXJQL-OYKKKHCWSA-N 443.499 4.851 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c1 1871396777 VCQSJOREBCIBLQ-WYIUDDKKSA-N 437.536 4.812 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)C(=O)Nc1ccccc1 1871403858 BRDLMCSUMUFTOU-VUZLNAKASA-N 430.416 4.617 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)s1 1871444154 RQQMGCZBUJZJCY-VUFYJBQKSA-N 449.532 4.740 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 1871876021 HNMBDJMIOGNMCC-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)C1CC1 1871946407 COOAZPYVGVLFDE-SFHVURJKSA-N 433.401 4.861 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872089192 IHAYFFZWBNEGII-HSZRJFAPSA-N 428.598 4.932 30 10 IJEE CC(C)(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)n1 1872767800 AODZIKKBRODHGX-IBGZPJMESA-N 443.528 4.727 30 10 IJEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCCN(CC)CC)C1=O 1873077319 USHARDYLMHLBSQ-UHFFFAOYSA-N 442.648 4.624 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2cccc(Cl)c2Cl)C1=O 1873341388 DKMVWNQZBIDDJO-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(N(C)CCCC)ncnc21 1873665679 QYSFIDUIUWTSRD-UHFFFAOYSA-N 432.572 4.706 30 10 IJEE CCOc1c(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SC)cccc1OC 1874229741 ZPCNHOYCYIAPGD-FSJBWODESA-N 446.960 4.830 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(OC)cc1 1874241154 RQKTVIIWTUILFB-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1O 1874284474 JCDKXRWUPNRXMO-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874313410 STGDDVUYZWJQPS-OEAKJJBVSA-N 437.525 4.531 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874405595 FXCWFJYQZGBNSC-BUVRLJJBSA-N 442.972 4.644 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2C(=O)O)c1 1874445614 GNIRBLICCUKPIC-FINLKQIMSA-N 436.537 4.619 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1cccc(Cl)c1)Nc1ccccc1F 1874493233 BGXJYXSLLOTRAU-WYMPLXKRSA-N 443.935 4.951 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)N(CCC)CCC)cc1 1874532909 IHSJRHTVOJUEFZ-JJIBRWJFSA-N 445.633 4.778 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C(C)C)c1OCc1c(F)cccc1Cl 1874558537 JZHPNKGFRNJDJV-AUEPDCJTSA-N 434.924 4.953 30 10 IJEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1 1874661785 CIMKPAFAZQQLBY-DEOSSOPVSA-N 434.584 4.657 30 10 IJEE CCOc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc2OC)cc1 1874707775 WJYKLGTYQUXNDS-NYYWCZLTSA-N 446.455 4.938 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](CC)CC1 1880002483 LTXORZHCUPJZNI-UKIBZPOASA-N 429.399 4.773 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc3ncccc3c2)CC1 1891001239 ITVGCTGWNOPGDT-UHFFFAOYSA-N 429.505 4.678 30 10 IJEE C=CCC1(NCc2cccc(O)c2Br)CCN(C(=O)OC(C)(C)C)CC1 1924559403 LNCJBSLKPMOVJT-UHFFFAOYSA-N 425.367 4.590 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]2C1 1944456775 FCRBQQYAFSPDLA-AVYPCKFXSA-N 447.498 4.715 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 1950337709 JMHZDCWVQYPQOR-RUZDIDTESA-N 427.589 4.597 30 10 IJEE C#Cc1cccc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951840362 WERJDOIYGJYUBF-HHHXNRCGSA-N 425.484 4.897 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 1983328910 DABHBBCUIQJSFR-LQWHRVPQSA-N 428.495 4.522 30 10 IJEE C=CCCOCCNc1cc(Br)c(Br)c(Br)c1 2000061398 DVUUIKBFFPEWPF-UHFFFAOYSA-N 427.962 4.979 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CC(O)(C(F)(F)F)CC1=Cc1ccc([N+](=O)[O-])cc1 2053587306 CNLMLPDOLBVUCQ-UHFFFAOYSA-N 448.353 4.626 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2ccc(Br)cc2Cl)C1 2063051216 SJJLCLMGJGEFIK-INIZCTEOSA-N 429.786 4.833 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(F)c1F 2079970518 TYXWNEGFDVUJPZ-CQSZACIVSA-N 449.189 4.883 30 10 IJEE CC(C)Oc1ccc([C@@H](C)n2nc(C(F)F)c(C=NO)c2I)cc1 2080076627 XZLQPBZDCXVWCI-SNVBAGLBSA-N 449.239 4.630 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCCC 2110499882 DRJMGXGMKMQHNJ-IRXDYDNUSA-N 443.813 4.930 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145272039 WNKPKEZBWCQIRL-UWJYYQICSA-N 428.349 4.951 30 10 IJEE C[C@H](C(=O)Nc1ccc(Br)cc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2187939291 AJSFLSSZULKTGU-ZDUSSCGKSA-N 436.350 4.542 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#Cc1ccc(Cl)cc1 2212453487 UVOHINKKUMOOJJ-BULFRSBZSA-N 429.944 4.551 30 10 IJEE Cc1sc(CCNC(=O)OC(C)(C)C)nc1C(=O)C#Cc1ccccc1Br 2235722290 SAMXVEXHKISOBC-UHFFFAOYSA-N 449.370 4.516 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2235745636 DQGSWASQMHRQBL-HKUYNNGSSA-N 435.406 4.816 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(CCC#N)CC1 2243904625 DZJIOCIFRONVBX-UHFFFAOYSA-N 445.563 4.846 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2247898204 BFVNBGCYVPFALP-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE C=CCN(CC[C@@H](NCC)c1cc(OC)c(Br)s1)C(=O)OC(C)(C)C 2263741037 MABGNCWLFWNGOZ-CYBMUJFWSA-N 433.412 4.983 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CC1(C)C 2296273081 NPAPBOMHQZSFBD-PGRDOPGGSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(O)C#Cc1ccc(Br)cc1 2296288592 IYBSUDJAGDHWKK-JTSKRJEESA-N 434.374 4.637 30 10 IJEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2c1ccc(O)c2CN1CCCCC1 2296778350 NWBDYRLOFJHHAT-UHFFFAOYSA-N 427.884 4.514 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2)cc1 2296935976 RVRGINQXCLKIKC-FQEVSTJZSA-N 434.517 4.785 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccccc3F)ccc2O1 2297745040 STAWKSGLCMVKCJ-GYCJOSAFSA-N 443.474 4.771 30 10 IJEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC1(C)C 2318386829 GAESDOFWECZGOH-IAPPQJPRSA-N 432.656 4.927 30 10 IJEE O=C(Oc1ccc(C=Nn2c(S)nnc2CC2CCCCC2)cc1)c1ccc(F)cc1 2321958561 QUVFOYNWNVATLS-UHFFFAOYSA-N 438.528 4.930 30 10 IJEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)cc1 2322339290 BMPVBPYXTDSZRS-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)cc1 2322948763 NNMADAUEJDQFMN-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2323796032 NXMXRVLCPAMJCW-UHFFFAOYSA-N 444.439 4.958 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)cc1 2323889018 XGBBCNIYHIUYHK-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325592842 WROIQZYNGUDKGK-UHFFFAOYSA-N 430.961 4.999 30 10 IJEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2325714792 LJBISORQURUBRU-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccccn1 2325817490 VRNNRMHRXJXYFK-UHFFFAOYSA-N 425.558 4.552 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2326058156 CDNUEWJYLKGJCR-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(OC)cc1 2326272136 AIHXUWRGPURCLQ-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(OC)c(O)c1 2327385579 NHIRKEMYTAOODX-UHFFFAOYSA-N 440.569 4.908 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2327951011 IQORYHPMUQSJRR-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE CCOc1c(C=Nn2c(COc3c(C)cccc3C)nnc2SCC)cccc1OC 2328554387 QVBDKUFYSMTQLI-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE COc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)cc1 2330286627 SKZUVXCWRDTMKW-UHFFFAOYSA-N 444.601 4.583 30 10 IJEE CC(C)(C)Cc1nnc(SCCCO)n1N=Cc1ccc(OCc2ccccc2)cc1 2330872438 GAFOCOCGSZNZTE-UHFFFAOYSA-N 438.597 4.802 30 10 IJEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(Br)cc2)cc1OC 2330881173 KTNFDEHLQNGLIL-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE C[C@H]1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339595836 LJHUMVDUXYRHBF-YFOSEYIMSA-N 443.397 4.926 30 10 IJEE CC(C)(C#N)c1ccnc(Nc2ccc(Br)cc2I)c1 2363657872 UTPQBYGFLYEWRI-UHFFFAOYSA-N 442.098 4.993 30 10 IJEE CN[C@H](C#C[C@@H]1CC1(C)C)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2365083210 OPWUPYYULQEVMG-QRQLOZEOSA-N 435.406 4.522 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)CSc3ccc(Br)cc3)C2)OC1(C)C 2368345059 FVEAIPKDVJXBHY-LJQANCHMSA-N 440.212 4.626 30 10 IJEE Cc1cc(CN(C)Cc2cc(Br)cs2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369724405 QZWSOQGGIGSPKC-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE Cc1cc(CN2C[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369741330 KDUUKQVJQMOFGR-GGAORHGYSA-N 448.460 4.637 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)cc1 2611456 LMQWVBJFTOMNSD-MTJSOVHGSA-N 431.359 4.922 30 10 IJEE COc1ccccc1-n1c(SCC#N)nc2c(sc(=S)n2-c2ccccc2)c1=O 3629901 ZARCALWLHSPAIZ-UHFFFAOYSA-N 438.559 4.592 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 14082407 OJXHBMPUDFUHMZ-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Cl)c1O 20881647 PNEGCQVKSACXBE-WBVHZDCISA-N 425.912 4.757 30 10 IJEE C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1OC(F)F 26506824 SLIYVVAGZRLZRE-ODCIPOBUSA-N 432.286 4.542 30 10 IJEE N#Cc1c2c(c(N3CCN(C/C=C\c4ccccc4)CC3)n3c1nc1ccccc13)CCC2 33340011 YDQYCICGQMSHMP-YFHOEESVSA-N 433.559 4.683 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCC)c1 40080266 NXEWIERCXXXSBV-QHCPKHFHSA-N 435.520 4.947 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(OCCC)cc1 40099111 QXZPHHYJNPYHNI-IBGZPJMESA-N 428.554 4.927 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(CCc1cccs1)CO2 41588864 LNTGFNUUTPJPQQ-YVNNLAQVSA-N 447.512 4.796 30 10 IJEE CCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc(CC)cc2)cc1OCC 45940572 USGLBYQYFQNHTK-UHFFFAOYSA-N 446.551 4.840 30 10 IJEE COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccccc12 59466988 XSNZNPKQNCAYPV-MFKUBSTISA-N 446.532 4.807 30 10 IJEE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101109793 SXVZUCPKSSWDPJ-CFRMEGHHSA-N 439.368 4.657 30 10 IJEE Cc1ccccc1C(=O)N1CCN(c2oc(/C=C\c3ccc(Cl)cc3)nc2C#N)CC1 102887500 PTDQILIITLDIFM-FLIBITNWSA-N 432.911 4.641 30 10 IJEE COc1cc(/C=N\Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(C(C)(C)C)cc1 169887375 OJXGZCISYGRZBU-ROTLSHHCSA-N 440.931 4.754 30 10 IJEE CCN1C(=S)N[C@H](c2cc(Br)ccc2OC)C(C(=O)c2ccccc2)=C1C 169932089 MTMOWJAAWOBAQX-LJQANCHMSA-N 445.382 4.866 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccncc1 169947559 BFFLRFFZNZZBPP-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)s1 169994251 VOPUJMGCGLDYLX-SFHVURJKSA-N 439.924 4.900 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccnc2)cc1 170013229 IWGZOQYWMNYUDW-HXUWFJFHSA-N 427.485 4.783 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(N(C)C)cc1 170128978 IJBDEMQTHJZPSG-OAQYLSRUSA-N 442.943 4.793 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(N(C)C)cc1 170129214 BEPORZJRSPJKBB-LJQANCHMSA-N 443.341 4.503 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)cc1Cl 170132705 FIXIEGCCLUMZRR-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1OC(C)C 170150865 KTLGTWXYOIYZTF-NRFANRHFSA-N 438.480 4.760 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1C(C)C 170192785 MTIQGASGHYUPIF-QHCPKHFHSA-N 446.503 4.975 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1C(C)C 170192888 VVZUMRGYHJAIFU-QFIPXVFZSA-N 432.476 4.585 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)ccc1OCC(C)C 170197190 JIDWMKUGARHVAH-HSZRJFAPSA-N 434.536 4.946 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccncc2)c1 170204710 PMDIXZWIYLUSAJ-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc3ccccc23)cc1 170220531 QYSIHBJRAWCESE-XMMPIXPASA-N 445.515 4.853 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170221892 KSKSSXMKMPYFIO-QFIPXVFZSA-N 431.513 4.852 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccccc1 170227871 ICANDYARCYFBDT-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1 170240343 QDTSTLDVUBDNQU-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2F)c1 170248588 FLOWOIFRJMPBET-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1C 170250616 CUUDOVRAFGBZRL-JOCHJYFZSA-N 435.451 4.904 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265827 ITIHPIAZFKUAFI-ZCYQVOJMSA-N 445.559 4.885 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccco1 170290523 IPCYPRILWBOTFP-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(C)o2)cc1C 170301223 OPGXUAVVPAEOPQ-JOCHJYFZSA-N 433.460 4.702 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170362767 XVOYNNNOFQFYIK-QHCPKHFHSA-N 439.471 4.525 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1cccs1 170413133 MKBXDUPMURVESC-FQEVSTJZSA-N 439.920 4.928 30 10 IJEE CCOC(=O)COc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)N(C)C1=O 252621342 MWCCMYCRJJARBC-AQEWOIMGSA-N 430.913 4.516 30 10 IJEE COCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)SC1=Nc1ccccc1 252622151 NPXHYXSLBQMEGF-IRZHRRCCSA-N 426.538 4.733 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 438358871 RBXUQWJGGMWCBL-RBUKOAKNSA-N 430.302 4.611 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460560126 NQTUCTDQCOWVGB-FQEVSTJZSA-N 428.895 4.597 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCOC1 461709269 YKZGRPNZHBKQBC-SFHVURJKSA-N 433.581 4.727 30 10 IJEE C=C(C)C[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCCN(C(=O)[C@H](C)CC(=C)C)CC2)c1 467115821 DQBIYSZGOVSYHP-NHCUHLMSSA-N 439.600 4.504 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1OC 526808783 QXMYISXULRISDV-OYKKKHCWSA-N 440.569 4.875 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 535666297 OQCLXDCWLYZFJO-UHFFFAOYSA-N 438.936 4.852 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 567430055 HZPRDCNBJPYUEF-QFIPXVFZSA-N 434.540 4.710 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 573528088 RURJKTQLSPBUAB-FQEVSTJZSA-N 442.972 4.693 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1 576745715 WYSPQKIQKHGLOP-VWLOTQADSA-N 426.557 4.671 30 10 IJEE N#Cc1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586179175 XLJOXDWEXONGTO-UHFFFAOYSA-N 441.896 4.511 30 10 IJEE N#C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(OCc2ccccc2)cc1 609172691 AJZYUBJVGZXNBA-AREMUKBSSA-N 425.532 4.856 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@@]4(CCc5ccccc54)C3)n2Cc2ccccc2)c1 619817344 NLJWZFYAQAERTR-NDEPHWFRSA-N 447.542 4.543 30 10 IJEE CN(Cc1ccccc1)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 619818001 JGPFACLFRYKGDV-AREMUKBSSA-N 448.574 4.576 30 10 IJEE N#Cc1cccc(Nc2cc(I)cc(I)c2)c1 690333726 BSBQFAGOAPMQSI-UHFFFAOYSA-N 446.029 4.511 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@]1(C#N)CCc2cc(Br)ccc2C1 698825273 OEYXQYPBBPKZHN-KRWDZBQOSA-N 433.268 5.000 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1csc(-c2ccccc2)n1 731426779 FJRHODSGGRTXFP-LJQANCHMSA-N 425.966 4.983 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1=S 760406151 FXVLOJABWHFQGC-QGZVFWFLSA-N 446.592 4.807 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(C(F)F)nn(C)c2s1 796632972 MGYDWPKOTJEHAB-AWEZNQCLSA-N 430.480 4.658 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc(C)c1 799214420 FYIASPJJIWVTTM-KRWDZBQOSA-N 446.916 4.537 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 802581631 XPRYBHZRSMWASK-HSZRJFAPSA-N 440.975 4.836 30 10 IJEE C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)c2N1 1137551332 FNFJHWPIQWPNOY-OWYVNGRQSA-N 438.347 4.753 30 10 IJEE C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1147951794 DUPCRPIQQQSKTJ-ZPHJMFTNSA-N 435.339 4.814 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1157507924 KTWLJAGOAJJRIG-FPOVZHCZSA-N 442.918 4.944 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccccc1 1158670172 OPODCKNBPYUZMW-ADSBAMQRSA-N 426.538 4.765 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2c3ccccc3OC[C@@H]2F)cc1OCC 1179579220 NAYPWDIZQNTEGL-PXNSSMCTSA-N 436.321 4.974 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 1191746603 ABNRKXWRMZTJKM-NRFANRHFSA-N 426.335 4.769 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)cc(F)c1Br)c1ccc(Br)cc1 1216712815 KNKYTZRABCEVMF-CYBMUJFWSA-N 444.073 4.986 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 1221993113 SMEYFDGCXOTPQF-JOCHJYFZSA-N 432.499 4.665 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccc1F)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1252779185 QVJIXXHWAJLVGD-NRFANRHFSA-N 431.552 4.567 30 10 IJEE N#Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2Br)c1Br 1276487787 COPWBBSNNYJOJU-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286318072 RIYUIJWEQITMAY-FQEVSTJZSA-N 426.008 4.714 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@H](SC)C1 1286337901 YMLANZRGDPBCQC-SFHVURJKSA-N 433.419 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCCCCSC 1286421469 PIDXMKQAWBNUJO-UHFFFAOYSA-N 445.430 4.704 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1286447339 NIAFHHMIBAHFEE-RCZVLFRGSA-N 447.652 4.781 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCOc1ccccc1C(C)C 1286522181 JYQUMSSRFOODFH-AREMUKBSSA-N 429.568 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(CC)CC1CC1 1286553390 QAIMDTJCAYQZMJ-KPLVRAHFSA-N 428.552 4.775 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCCC)CC1 1286606150 IAEWVNQPKCELET-HXUWFJFHSA-N 437.588 4.805 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@@H](C)N2CCCCC2)CC1 1286637730 LRQRPMSGNYXUDO-RTWAWAEBSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CC2(SC)CCOCC2)CC1 1286655124 OETAWLBQDUOLRO-UHFFFAOYSA-N 433.021 4.913 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCC1)C(C)C 1286750702 FUDUACWXKCXXPI-DEOSSOPVSA-N 432.616 4.896 30 10 IJEE CC(C)C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1287330339 ATNCFTRNPPZSOG-ZJSXRUAMSA-N 443.039 4.629 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C1)c1ccsc1 1295396138 BMLJCZSSSWTOKA-PGRDOPGGSA-N 434.613 4.808 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[C@@H]1CCCCO1 1300522012 ZZOXHOBVZQNUNR-SFHVURJKSA-N 431.367 4.674 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CC[C@H](OCC)C1CCCC1 1300574673 GAJLUWXLCHANRB-VWLOTQADSA-N 443.595 4.875 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCC(C)(C)C 1300658230 ZJIMENFIYMAONV-UHFFFAOYSA-N 433.394 4.620 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1301002221 XFTUYTVXMVFYSD-VNXMGFANSA-N 430.637 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC(C)C)nc2)CC1 1301114328 OWJJCNFKWHTYHC-UHFFFAOYSA-N 438.963 4.626 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C)C1 1301139551 RJAQVRCUURSTSY-OALUTQOASA-N 428.577 4.644 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(CCC)C(=O)C1 1301139735 URYZJWKCOUSOBA-JOCHJYFZSA-N 437.632 4.871 30 10 IJEE C=CCCCCn1c(N2CCC3(CCC(F)(F)CC3)C2)nnc1[C@]1(OCC)CCOC1 1301198443 JRHALBSWBSOVFY-QFIPXVFZSA-N 438.563 4.692 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1 1301273977 ZKQZFRZUFVJNHV-CQSZACIVSA-N 435.425 4.642 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1nnc(C)s1 1301406855 WQUSPNUZSRGMOF-UHFFFAOYSA-N 440.960 4.635 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2c(C)noc2C)C1 1301542320 MTFKJABROLRXEI-JOCHJYFZSA-N 449.599 4.871 30 10 IJEE C=CCCCN(CC)C(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1304647077 SKMIUYZOZQYJER-JOCHJYFZSA-N 443.385 4.664 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@H]1C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 1312340290 AAIYIEWCBWRFBR-AQNXPRMDSA-N 426.479 4.692 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c1 1312862454 LUYOIHGMHKNMOE-UHFFFAOYSA-N 438.531 4.888 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1nc2c(s1)C[C@H](C)CC2)c1ccc(Br)cc1 1312937346 PJIKQXBDJKSXIX-PBHICJAKSA-N 446.414 4.936 30 10 IJEE C=C[C@H](C)ONC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1312946035 DJQXRACRFCCNPA-INIZCTEOSA-N 434.367 4.916 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCCCCC3)n2C[C@H]2CCCCC2(F)F)cc1 1316533160 FYBBTFCOHVCRJM-LJQANCHMSA-N 429.515 4.935 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(-n3nc(C)cc3C)nc2)s1 1351034796 GBOPAJCCJPCTLN-UHFFFAOYSA-N 433.990 4.675 30 10 IJEE C=CCCn1cc(C(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)nn1 1351946384 ZLGVTQSEQIPYGY-UHFFFAOYSA-N 430.917 4.665 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CCCN1C(=O)OC(C)(C)C 1353993450 KTPKMKZRIQKRQO-XMMPIXPASA-N 439.487 4.745 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)Oc1cccc(F)c1 1358899370 LZBGISBMEKOBJW-JHMKDJTOSA-N 442.579 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OCC2CC2)nc1 1358899707 SMZOMVQVBHCBBH-LJQANCHMSA-N 447.608 4.569 30 10 IJEE C#CCSCCn1c(N2CC(C)(C)OC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1359061424 BJYKDYHISMDVPX-UHFFFAOYSA-N 438.641 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1359066621 HTSLHBQYBKEYBO-UMTXDNHDSA-N 433.644 4.868 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1359093780 SKYIZUNQWCCAPP-LMQGHGSNSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(OCC(F)(F)F)nc1 1359113222 CREQFFMHNGLDHS-UHFFFAOYSA-N 425.499 4.654 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359118868 ITRVEQINRXAGLC-BEFAXECRSA-N 431.378 4.596 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)C1 1359155632 FKIJRKPTIQJLOZ-GFCCVEGCSA-N 433.792 4.858 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCC2)CC1 1359178099 IXPZKKAWOAPEOO-UHFFFAOYSA-N 443.636 4.985 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C=C)CC1 1359213786 GVUZMWKPDFUJBY-UHFFFAOYSA-N 432.572 4.605 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359227598 FWJVSYPZNAQIKQ-QGZVFWFLSA-N 442.913 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC1=CCCCC1 1359261708 SQCXERGDDPXWDP-UHFFFAOYSA-N 434.569 4.680 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2)n1CC1CCN(Cc2cccs2)CC1 1359469258 ATGOFVMTIPKYQU-IBGZPJMESA-N 434.613 4.515 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3)CC2=O)cc1 1434887633 BCKIRSZPVQNRCP-FQEVSTJZSA-N 429.907 4.798 30 10 IJEE C#C[C@@H](NC(=O)c1cccnc1Oc1ccc(Br)cc1)c1ccc(F)cc1 1436643447 FVBKIHCELYCARS-LJQANCHMSA-N 425.257 4.880 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CS[C@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 1436749286 XQBXUPDLPWXFKY-DGCLKSJQSA-N 443.425 4.540 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2CCC=CCC2)c1 1439357537 PBUICOFFBZPPGT-UHFFFAOYSA-N 444.984 4.950 30 10 IJEE C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CN1Cc1ccccc1 1445786494 HDUYZEVKZOQEPO-GBXCKJPGSA-N 425.532 4.938 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccs1)C1Cc2ccccc2C1 1449401049 INCFRQAEXRZFIA-JOCHJYFZSA-N 438.593 4.551 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)cc1 1465398699 IMARULLUUMSUTH-UHFFFAOYSA-N 429.561 4.523 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)Cc3c(C)nn(-c4ccccc4C)c3C)cc21 1467379924 FIDHLENZWFYHJT-UHFFFAOYSA-N 428.540 4.997 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1468822747 GFBGCAIPDHXZRQ-KRWDZBQOSA-N 437.437 4.701 30 10 IJEE N#CC1(CCN2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)CCCCC1 1473107355 GHWDUWQUEZDNKZ-VWLOTQADSA-N 433.571 4.775 30 10 IJEE C#CCOc1ccc(NC(=O)N2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)cc1 1476151057 UCFZOPBQZLSMBY-XZOQPEGZSA-N 449.551 4.742 30 10 IJEE C#C[C@@H](NC(=O)NC(C)(C)COc1ncccc1C(F)(F)F)c1ccc(Cl)cc1F 1478901074 QBVQLJAHWQFUPI-MRXNPFEDSA-N 443.828 4.724 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)O 1503461611 DQMBZAAVRCFERD-UHFFFAOYSA-N 435.597 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccsc1)N(CC)CC 1507542685 SAMSSWHPHXPPLD-FXAWDEMLSA-N 427.643 4.533 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC(F)(F)C1 1507642961 OHPYFEAGVBAXBC-DLBZAZTESA-N 432.902 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@H](OC)[C@H](C)CC 1507772563 RLRCHIOBKNFIPC-LJFZDNNRSA-N 442.629 4.632 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOCc2ccc(OC)cc2)CC1 1507902062 BDXWDTRXDIQDPS-QHCPKHFHSA-N 440.588 4.538 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1507933992 VVFUVFZLEJAGOS-OAQYLSRUSA-N 428.483 4.674 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(C)C)C1 1507934732 IZFXXAGPTQRXNR-JOCHJYFZSA-N 437.636 4.681 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(COC)CC1 1507940337 ZINYDSJVJJNCHK-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCOCC1 1507957546 HHAWBRHKRCBCLQ-LJQANCHMSA-N 448.995 4.508 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1507987843 LTVWKCIGKBBVPU-FCGDIQPGSA-N 428.552 4.916 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1507991171 SHUPCNPIHADTBT-PMACEKPBSA-N 437.632 4.865 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1ncc(CC)s1 1508002380 GTKBFBJORAPPIA-UHFFFAOYSA-N 430.581 4.524 30 10 IJEE C[C@H]1CCC[C@@](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)(N(C)C)C1 1512094513 FHEBCDKYPVPEJH-RXFWQSSRSA-N 434.632 4.954 30 10 IJEE N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 1521931257 GORLZLFGMOGGQT-UHFFFAOYSA-N 439.496 4.930 30 10 IJEE Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1 1523946579 AOBNSZAXEPJKRK-LJQANCHMSA-N 429.904 4.547 30 10 IJEE COC1(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)CCC(c2ccccc2)CC1 1525611511 CGKMXCNAWONPGL-UHFFFAOYSA-N 437.609 4.830 30 10 IJEE CN(C(=O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CCCCC1 1525893126 BPEJCWLRWOWFCP-UHFFFAOYSA-N 425.916 4.525 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(CSc3cc(C)ccc3C)c2)c1 1527165037 NCXFFWRWWUKZGU-UHFFFAOYSA-N 442.584 4.970 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)s1 1529308567 IHFQDJITWTUOLU-PXAZEXFGSA-N 445.050 4.807 30 10 IJEE C#C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 1535469277 YQMDKWXQMOCYNC-OAHLLOKOSA-N 425.794 4.560 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@]1(c2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)C1 1535722877 ZZAPMMBHNPYDMN-WCYRKSIYSA-N 434.580 4.915 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)c1 1536108309 DHTHUHXFAFFFAT-UHFFFAOYSA-N 449.293 4.705 30 10 IJEE CCN(CC)CCN(C(=O)c1c(F)cc(C#N)cc1F)c1cccc(C(F)(F)F)c1 1537117655 CVAOOPDMVJDDRC-UHFFFAOYSA-N 425.401 4.844 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1537397988 DAIWFSUUGURGBO-GOSISDBHSA-N 439.353 4.506 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1539305709 MFUNDTVGIKFPAD-FQEVSTJZSA-N 444.432 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)c1c(C)noc1C 1539677414 BOAPVTKWVABDRF-INIZCTEOSA-N 427.524 4.807 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1539813035 WXZDEDZGMPRNTN-UHFFFAOYSA-N 432.977 4.727 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1539903091 RQCYEHTUQMSTOC-QGZVFWFLSA-N 444.551 4.549 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(NC(C)C)CC1 1539988885 IOZUZDLSUATIMZ-UHFFFAOYSA-N 446.437 4.949 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccco1)N1CCCC1 1540088585 NNEAQJFFMOTVBU-OAQYLSRUSA-N 437.613 4.931 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccnc1)C(C)C 1540136961 OHZHOLBXYKUPNA-DHIUTWEWSA-N 449.574 4.949 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2c(Cl)cc(F)cc2Br)cc1 1540595837 OHNZVTKVEWKJFA-UHFFFAOYSA-N 426.673 4.801 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](C)C1 1545281651 UWPPHJZRWVVYPX-WAIKUNEKSA-N 438.955 4.905 30 10 IJEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC1 1555284987 HJSNWVYDVLBVLP-UHFFFAOYSA-N 441.988 4.833 30 10 IJEE C=C(C)[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1559766203 BUVZULPUBYFXFT-QGZVFWFLSA-N 444.219 4.885 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 1562424560 RJGZOLDKRQEGEK-KDURUIRLSA-N 426.538 4.987 30 10 IJEE C=CCC1(CNC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CCCC1 1562745576 KLCFEXUVUJALNK-UHFFFAOYSA-N 434.378 4.943 30 10 IJEE CC[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)Cc1cccc(Br)c1 1564094226 DISJZHGBANISHM-BTYIYWSLSA-N 426.358 4.876 30 10 IJEE C#C[C@H](NC(=O)c1cccnc1SCc1cc(C)on1)c1ccc(Br)cc1 1584708515 QODXURLTQZTVQA-SFHVURJKSA-N 442.338 4.537 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CCc1ccc(Br)s1 1587609484 POGPJFARXVHUFX-CYBMUJFWSA-N 433.350 4.609 30 10 IJEE C#CCCCCn1c(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nnc1C(C)(C)C 1587793117 HINYLCUWBWHKNK-LJQANCHMSA-N 432.515 4.558 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1cccs1 1587804240 VWNNNRXAXZRFBP-HXUWFJFHSA-N 433.581 4.964 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCc2sccc2C1 1587835170 OAEUODDHYNOPIK-UHFFFAOYSA-N 436.581 4.780 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1csc(Br)c1 1589742268 HZRJSTBBDNLADX-UHFFFAOYSA-N 428.359 4.853 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C(C)(C)O)c2)CC1 1594134417 QDULVDPVJSWHPB-FGZHOGPDSA-N 438.616 4.629 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)(C)C)CC1 1594461740 XHOZCBMNEPLAOF-UHFFFAOYSA-N 440.592 4.766 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](SC)C1)c1ccccc1 1594543409 AEMTZMIQOGASOL-RBBKRZOGSA-N 436.629 4.760 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1594709523 XUESQRIMBFBGOV-LPHOPBHVSA-N 445.995 4.914 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1csc(C)n1 1595190956 LAGHHMBUTAEAGJ-UHFFFAOYSA-N 429.977 4.793 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1595335484 RJCAXMNIQFQDPL-HNNXBMFYSA-N 439.551 4.534 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)C1 1595688468 JUSRKLRGJPBFIG-RXVVDRJESA-N 433.581 4.538 30 10 IJEE Cc1cc(F)c(C#N)cc1NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 1597014511 HNFFPSGVNDDDJT-LBPRGKRZSA-N 430.530 4.593 30 10 IJEE CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1602714706 HCNRMHZBRBNOAT-VIICAESSSA-N 434.632 4.832 30 10 IJEE C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1)Sc1ccccc1 1611562682 DOXVPVDGGOKTDR-RFWXGWTQSA-N 425.602 4.831 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)COC)c(Cl)c1 1616342646 PFNQXWKXTGCBIC-OAHLLOKOSA-N 440.956 4.518 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1621190689 GVWLOQIPDHRBBJ-KRWDZBQOSA-N 425.891 4.921 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1OC 1621246118 HDCAYLWWIJXHMK-HNNXBMFYSA-N 429.870 4.966 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F)[C@H]1CCCc2ccccc21 1626384439 GCBYWJKIHQWEJW-FQEVSTJZSA-N 442.462 4.662 30 10 IJEE C=CCC1(CNC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)CCCC1 1627417710 RENZYBCIAANZDS-UHFFFAOYSA-N 438.524 4.528 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nccn1C(C)C)c1ccc2c(c1)OCCO2 1633062930 OPYWBKADGBEMOQ-UHFFFAOYSA-N 433.508 4.647 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1633697204 KBXPRGUZZGGKBS-OXJNMPFZSA-N 432.351 4.585 30 10 IJEE C#CCN(C(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1638980509 AURNXLDYVJARMY-UHFFFAOYSA-N 432.564 4.954 30 10 IJEE CC[C@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccccc1 1642509598 GGOKQOOKECMKPA-SANMLTNESA-N 430.552 4.828 30 10 IJEE C=CCN(Cc1ccccc1F)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1652329535 QSYGYGPUNNHKKX-KRWDZBQOSA-N 442.490 4.616 30 10 IJEE C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1c(Br)cccc1C#N 1655305656 GOBOSEXYRJBPKI-HNNXBMFYSA-N 427.346 4.750 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1Br 1655652704 GUWGVCNRBSGGNZ-XJKSGUPXSA-N 439.762 4.589 30 10 IJEE CCOc1ccc([C@H](C)NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)cc1OCC 1666391631 DDJFVLHRVVWDTF-HNNXBMFYSA-N 444.578 4.918 30 10 IJEE C#Cc1ccc(S(=O)(=O)NCC2(c3cccc(Br)c3)CCCCC2)cc1 1667680236 JPQAJRMCLCYCBP-UHFFFAOYSA-N 432.383 4.611 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 1668544377 DZXHTVUPPJGEEJ-CYBMUJFWSA-N 448.388 4.774 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@@H](c3nc(C)c(C(=O)OCC)s3)C2)c1 1668760132 BMVKCUWENMBMHD-MRXNPFEDSA-N 429.542 4.605 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1)[C@H]1CCCc2ccccc21 1673238790 IRKRMGIMKMFWSB-NLFFAJNJSA-N 429.564 4.987 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1csc(-c2ccc(Br)cc2)n1 1673794609 HJOIQFTTWWLAGU-UHFFFAOYSA-N 442.338 4.906 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(Br)cc1 1677381307 VFONWWBAKLEBEF-JBACZVJFSA-N 427.342 4.591 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1679560990 UUHVBMOPBRLYOZ-YZGWKJHDSA-N 437.506 4.631 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 1679595136 KRFZLFPOYMVBRZ-GCJKJVERSA-N 448.535 4.598 30 10 IJEE C#C[C@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)c1ccc(F)cc1 1683498554 SXUSHWJMJWGTHJ-FQEVSTJZSA-N 434.421 4.592 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1684166139 UONTWCNMQFKMQD-JOCHJYFZSA-N 445.991 4.525 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C 1689881177 IVZLXAPYLMXQQB-FQEVSTJZSA-N 440.954 4.788 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSC2(CCCCC2)C1 1689916585 OCCQFBBCFUFWRQ-UHFFFAOYSA-N 440.613 4.632 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CC1CC1)c1ccccc1 1690322462 GNCGZADYWFDQNZ-UHFFFAOYSA-N 440.389 4.996 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 1690344337 PVCGMPCYCMGRQQ-SQNIBIBYSA-N 436.000 4.524 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC=CO2)CC1 1690365645 CAFSFAICRXCBQD-INIZCTEOSA-N 433.325 4.696 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccccn2)CC1 1690368565 CKLSXXHXVNFYDR-UHFFFAOYSA-N 442.336 4.641 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1690496746 XGLNOCQHLZWTQO-RTBURBONSA-N 436.478 4.693 30 10 IJEE C=CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)cc1C(F)(F)F)C1CC1 1690548465 BNIMACOIHMODOW-UHFFFAOYSA-N 431.437 4.625 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1(CC)CCC1 1690561267 JHWCDFLFZLIIKG-UHFFFAOYSA-N 426.568 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1ccccc1-n1cccn1 1690579817 SZRTWDPLBPZBPA-UHFFFAOYSA-N 432.597 4.965 30 10 IJEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1ccsc1 1690660569 KMJDNPFWUGSQRR-NHCUHLMSSA-N 435.597 4.525 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(C#N)C1)OC 1693969545 BJJKZTMVCQDEED-JTJYXVOQSA-N 439.604 4.665 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)on1 1695670828 GKIVHSAEXXXCLC-UHFFFAOYSA-N 438.944 4.903 30 10 IJEE COC1CCC(CCn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1697637912 CSVAIQZWGXTKND-UHFFFAOYSA-N 433.556 4.950 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCC1CCC(OC)CC1 1705593848 KRKQWUJWDIXBRJ-UHFFFAOYSA-N 441.579 4.552 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1705656031 PARZNOKCHNVCNC-PXNSSMCTSA-N 438.000 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(C)CCCO1 1705671654 SBFZKTOKAINXGT-CLJLJLNGSA-N 436.600 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCC[C@@H](C)C1 1705720118 XXRXEIWVQFFETG-HXUWFJFHSA-N 425.621 4.608 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCN(C)CCCC)CC1 1705780559 RFYRUIWGIXAUFG-UHFFFAOYSA-N 434.588 4.734 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705791451 WLECUWQEAARTJW-FGZHOGPDSA-N 435.572 4.572 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705814164 FOSXWZFDRQCORH-FQEVSTJZSA-N 437.632 4.902 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1705822130 UIFQBYUZJSZZNI-KRWDZBQOSA-N 426.515 4.508 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1Cc1ccc2c(n1)CCCC2 1705861109 UGCRSNMBEHKITD-UHFFFAOYSA-N 440.595 4.863 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705949516 AYNIMLZWMXJBSC-ZWKOTPCHSA-N 433.647 4.506 30 10 IJEE CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1708696451 HXGRKNAWTJYQFO-RDGATRHJSA-N 440.611 4.504 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722310698 MWOMMMWLELKSBE-ZDUSSCGKSA-N 444.299 4.618 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCC(F)(F)F 1722450827 CUHUIAWBRPELGY-CQSZACIVSA-N 446.926 4.827 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCC1CCOCC1 1722498338 WSSGGHWWCJPMHH-AREMUKBSSA-N 436.600 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(Cc1cccs1)C(C)C 1722509289 OMFMTXKGHGEBLG-SBHAEUEKSA-N 430.618 4.630 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCS[C@H](C)[C@H]1C 1722546088 GHUXDHMPMZYTCL-CHWSQXEVSA-N 427.799 4.790 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)cc2C)CC1 1722560775 IGFJWZNNTHGPSV-UHFFFAOYSA-N 440.389 4.868 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2[C@@H]2C[C@H]2C(C)C)C1 1722715050 MQYKXSCYXRMIHO-GBESFXJTSA-N 431.378 4.706 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1noc2c1CCCC2)C(C)C 1723438948 GUUQSPBHIBYZIU-UHFFFAOYSA-N 448.571 4.515 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C)CC1 1740712925 YSSRSJIEUJQJEK-INIZCTEOSA-N 433.419 4.700 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCc2sccc2[C@H]1CC 1740740983 BIPMSKAHZIBYAN-OAHLLOKOSA-N 432.391 4.768 30 10 IJEE C=C(Br)Cn1c(N2CC[C@@H](C)[C@@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1740748505 GTADLXOGKOHMTK-APWZRJJASA-N 445.405 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)CC1CCC1 1740766033 FWBUULCAQRRHPE-CVDCTZTESA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1 1740789386 KLSSHYLDJISICG-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1740848736 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C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(F)c(Br)c(F)c2)C1 2142157399 QWPFEEREBNVBBY-INIZCTEOSA-N 431.321 4.991 30 10 IJEE CC(C)(C)OC(=O)NCCOc1cccc(Nc2ccc(Br)cc2C#N)c1 2162422472 NLKJBOFVALCDRF-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE CCCc1ccc(C#C[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1 2223326781 QZDKYEVDZSPIFO-DCEDVJGZSA-N 436.596 4.817 30 10 IJEE Cc1ccc(C#C[C@@H](N)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2231147004 PDRZYAZPBYPCTR-RUZDIDTESA-N 447.623 4.623 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1ncccc1NC(=O)OC(C)(C)C 2235731521 QKZOBTDIKWMMEG-QGZVFWFLSA-N 430.346 4.893 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2235732466 SGETXLHUCQLWTK-MJGOQNOKSA-N 437.422 4.966 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2235732527 YSKZPEZKKJSUJT-ZWDAVXSWSA-N 435.406 4.672 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2243924235 DCQPJBXHRCTSHF-FTJBHMTQSA-N 444.575 4.858 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2249358265 VVJQWHSRJKNDRQ-AVCFWEGKSA-N 437.625 4.519 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2249555606 VXMAWMIEVODVBQ-QSVWGWLCSA-N 431.508 4.716 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2267192881 XJKLWKDBYRHBJK-LJQANCHMSA-N 437.389 4.681 30 10 IJEE CC1(C)OB(C2(C(=O)N3CC[C@@H]4[C@H](CCCN4Cc4ccccc4)C3)CCC2)OC1(C)C 2267460825 NBRSTNJHUABAKC-FGZHOGPDSA-N 438.421 4.516 30 10 IJEE O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 2294217760 LHYUVRPWMPUVPW-AREMUKBSSA-N 431.919 4.790 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2ccc(Br)cc2)c2ccccc21 2296285187 ZFPFAHCOFYOYIS-UYAOXDASSA-N 428.326 4.700 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1(C)CC(NC(=O)OC(C)(C)C)C1 2296295415 COYKLFBGRKQJLF-GSVIPDFHSA-N 435.406 4.862 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCN(CC)CC)cc1 2314478054 PMPSTECTPFCEPZ-AREMUKBSSA-N 446.591 4.959 30 10 IJEE Sc1nnc(COCc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2322016091 OVYLFRUZWLAPLU-UHFFFAOYSA-N 430.533 4.745 30 10 IJEE CCCOc1ccc(C=NNc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1OC 2322607292 MACZKKPXAZOEHQ-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(OC)cc2OC)o1 2322901590 WLDAYABSSFWZKA-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2322969195 PGABDGLYYBDKFO-UHFFFAOYSA-N 436.424 4.845 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323099543 RMXCBHABQODBCB-IBGZPJMESA-N 445.515 4.856 30 10 IJEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2323423227 UQYYTFYFRYGQCH-UHFFFAOYSA-N 437.492 4.948 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2C1=O 2323532275 DSTPSJDTMJZMRG-UHFFFAOYSA-N 436.847 4.949 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)C=Cc1ccc(OCC)cc1 2323831736 YYIGUKMPXZZHFY-QFIPXVFZSA-N 434.646 4.813 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccccc1C 2325513694 GEIYJQBBYTTYQS-UHFFFAOYSA-N 426.542 4.873 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccccc1F 2325746609 NMWOZLDOAWVDPD-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)c(O)c1 2326606383 FXSIXQZDSRLHDV-UHFFFAOYSA-N 430.533 4.788 30 10 IJEE CCOc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc(C(=O)OC)cc1 2326780919 MFCMHBBLPLVPLP-UHFFFAOYSA-N 446.532 4.791 30 10 IJEE COc1ccc(OC)c(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)c1 2326868029 XMIPJBFVFPSQIM-UHFFFAOYSA-N 426.586 4.658 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)cc1OC 2328796369 JJGGKJXLNACNBY-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329039352 MVKGCAYHXWXDRE-LJQANCHMSA-N 443.617 4.566 30 10 IJEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccncc2)cc1 2329151493 PDUGIFFNIGVLFY-UHFFFAOYSA-N 429.549 4.778 30 10 IJEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2329280890 AXSMSVBIGNZLSR-UHFFFAOYSA-N 444.560 4.800 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cccc(Br)c1 2329283019 FUHLONGWVAKEHY-UHFFFAOYSA-N 443.370 4.800 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1cccc(OC)c1OC 2329662128 OIULYARWIMPAOH-UHFFFAOYSA-N 428.583 4.692 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1cc(Br)ccc1O 2330389704 IPGRQRFZYLLXAW-UHFFFAOYSA-N 449.399 4.949 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1)Nc1ccc(F)cc1 2330642690 GPERVHOWFIJBDE-UHFFFAOYSA-N 431.496 4.697 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccs2)c(C)c1 2331231455 IAWFYIXKFKXEMG-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc(Cl)c1 2331351714 RWHPQZNSHHFFCE-UHFFFAOYSA-N 441.988 4.565 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 2331708428 OHHQASFPNJMWGQ-NRFANRHFSA-N 439.464 4.591 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)C=Cc1cccc(F)c1 2332202697 YYECQTIFAIRJNL-UHFFFAOYSA-N 425.423 4.722 30 10 IJEE CCCCC#CC[C@@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366669716 IXUCHQAZVDDXQT-OCCSQVGLSA-N 425.763 4.601 30 10 IJEE Cc1cc(CN(C)C[C@H]2CCCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369736722 DAOONEFVJJJOAC-RUZDIDTESA-N 448.460 4.638 30 10 IJEE COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(F)c4)nn32)cc1 9597496 JJJZUAPKTOVWEX-OAQYLSRUSA-N 436.512 4.740 30 10 IJEE COc1ccc(C(=O)C[C@@H]2S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1 15055001 UZLVCWDOJRQVCX-BQRJAFJYSA-N 448.500 4.516 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cccc(OC)c1 59807848 DBMLNLILVGGYJO-UHFFFAOYSA-N 428.945 4.832 30 10 IJEE CCOc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1 105336125 CBRAOHKZAXVMBM-XSFVSMFZSA-N 440.546 4.633 30 10 IJEE CCCCCCCCN1C(=O)/C(=C/c2c(NCC)nc3ccccn3c2=O)SC1=S 105682017 OYWMNLDKKAKMRX-ICFOKQHNSA-N 444.626 4.688 30 10 IJEE COc1cc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 108939353 VJXSZEMLBHKKHZ-CHFKYBQCSA-N 441.483 4.579 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169925969 JRTLARWPUWTYHC-DEOSSOPVSA-N 449.466 4.831 30 10 IJEE COc1cccc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)c1OCc1ccccc1Cl 169936650 NBOYGQRXKWMTFB-OAQYLSRUSA-N 442.968 4.796 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1ccc(O)cc1 169962149 CVDDIAQENJPSHW-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)c1 170047501 OPZLNAYWPPOCOG-QFIPXVFZSA-N 444.443 4.776 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066871 FRNCMFKXIGZIPZ-WIOPSUGQSA-N 433.548 4.886 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2F)c1 170069378 BEAGZQNKQAJCTN-LJQANCHMSA-N 438.480 4.691 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(N(C)C)cc1 170087190 VBBOWQYRSPVYOC-HSZRJFAPSA-N 430.479 4.983 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)c1 170169026 GJWIZLOEQYDQIJ-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc(O)c1 170263431 LXIVNQCLAFSRND-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)c1 170274323 ZZYXFCINGBWJGJ-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccco1 170295273 NWFAPQITQKMUMM-FQEVSTJZSA-N 442.899 4.599 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)o1 170307933 KUVUVVPHQSACMC-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)cc1OC 170314854 VPNGANHIBOMMPO-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE CCN(CC)c1ccc(C=Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(O)c1 257350793 AFIUAGSEYBGLOS-UHFFFAOYSA-N 429.586 4.554 30 10 IJEE C=CCN(C[C@H](Cc1cccc(F)c1Br)NCCC)C(=O)OC(C)(C)C 407873441 KZDOGJNMDGUTPK-INIZCTEOSA-N 429.374 4.922 30 10 IJEE Cc1ccccc1CN(Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc2nc(O)[nH]c2c1 440724810 IQHQUDVSIPTORX-UHFFFAOYSA-N 436.475 4.705 30 10 IJEE Cc1coc(-c2ccc(C)c(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)c2)n1 446314421 DMXVRVVUUJZIKG-UHFFFAOYSA-N 431.496 4.737 30 10 IJEE Cc1occc1C(=O)NC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 472576387 CPAWLIRMBDFPRT-UHFFFAOYSA-N 427.548 4.682 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C 475582212 JINMFVOTBOLHKC-UHFFFAOYSA-N 443.613 4.937 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 476653890 DOTVZWARLOESGD-ROUUACIJSA-N 444.560 4.816 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nccn1Cc1ccc(OC)cc1 488811786 SWONTIBLHFMTRP-KRWDZBQOSA-N 427.595 4.697 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCOc2c(Br)cccc21 507810960 JZPUYEBKQUNMNJ-SFHVURJKSA-N 446.301 4.579 30 10 IJEE C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 508832425 KKRIIVMFMZNCLH-QGZVFWFLSA-N 434.475 4.606 30 10 IJEE C=CCn1c(SCc2cc(Br)ccc2C(=O)OC)nnc1-c1ccco1 509089162 JERMWVZWALSSHW-UHFFFAOYSA-N 434.315 4.566 30 10 IJEE C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)NC1(C#N)CCCC1 514524132 OVLBNHRJLRVBFW-AWEZNQCLSA-N 438.578 4.638 30 10 IJEE CCOCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(C#N)CC1 559057249 HMTDNCGRVPGJDU-FQEVSTJZSA-N 425.577 4.592 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](COCc2ccccc2)C1 579737557 NSHCDFVBBQHQQS-XUZZJYLKSA-N 430.552 4.574 30 10 IJEE C=CCc1cc(CNC(=O)c2c(C(F)(F)F)nn(CC)c2C(F)F)cc(OC)c1OC 676168703 SLRMVYFTHLVJCL-UHFFFAOYSA-N 447.404 4.535 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 685551705 DUDHALKWTYKEIK-WOJBJXKFSA-N 447.587 4.531 30 10 IJEE COc1cc(CN2CCC(c3nccc(C)n3)CC2)ccc1OCc1cccc(C#N)c1 755220635 DLEUSKWLEXNVNN-UHFFFAOYSA-N 428.536 4.624 30 10 IJEE C=CCCc1ccccc1NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 800153998 IBUJEDSKSVERQZ-UHFFFAOYSA-N 439.560 4.529 30 10 IJEE N#C[C@H](C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C(=O)c1ccc(F)c(F)c1 826667112 SCYSVXZHAHJGOF-WOUDNXQVSA-N 436.296 4.980 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)OC/C=C\c1ccccc1 1084165575 ZVMNEEGZRWYBKW-YFHOEESVSA-N 434.565 4.733 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(F)c(Cl)cc2F)c(C(=O)OCC)c1C 1124821762 WQUMLYZVNWMWNF-UHFFFAOYSA-N 443.855 4.760 30 10 IJEE C#CCOc1ccc(COC(=O)CCCCc2ccc(I)cc2)cc1 1127967767 QYVQJZRLEMTVKW-UHFFFAOYSA-N 448.300 4.759 30 10 IJEE C[C@H]1CCc2sc(NC(=O)c3cc(Br)c4nccn4c3)c(C#N)c2[C@H]1C 1129354696 ADBICAPVMFDWPN-QWRGUYRKSA-N 429.343 4.968 30 10 IJEE C#C[C@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1 1129608893 KJJGFEKKDFCLHB-KRWDZBQOSA-N 444.716 4.576 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccc(Cl)cc1F 1129615943 KAQCINCTFWMMEB-JOCHJYFZSA-N 441.911 4.557 30 10 IJEE CC(C)c1cccc(-n2cc(O)c(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)n2)c1 1137763754 FADTXZLGYYUJNG-UHFFFAOYSA-N 446.898 4.664 30 10 IJEE C=CCCC1(CNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)CCCC1 1166529955 XUUOEQCHAVDTOJ-UHFFFAOYSA-N 438.640 4.545 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3ccc(Br)cc3Cl)CC2)OC1(C)C 1176612259 RNYWEBVIVNSWAP-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE CCCOc1cccc(CCNC(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)c1 1203572305 FSNOXHMPXGHQGI-UHFFFAOYSA-N 431.540 4.849 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@H]4CC[C@@]43CNC(=O)OC(C)(C)C)cc21 1209773651 IAIQAWHNIJXDJW-MHECFPHRSA-N 439.560 4.524 30 10 IJEE C#CCN(C(=O)Nc1ccc(N(C)C(C)C)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1214698875 VQRUCZQXHSDJDV-UHFFFAOYSA-N 446.567 4.537 30 10 IJEE C=CCc1cc(CNC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc(OC)c1OC 1221552143 GXZSNYGHFWXAIC-UHFFFAOYSA-N 439.943 4.766 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCCc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 1222089315 CUWGYECWPLWWRR-UHFFFAOYSA-N 437.758 4.593 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(CN2CCC(C)CC2)cc1)c1ccc(Cl)cc1F 1222643712 NZYRQNIPKAJWKQ-HSZRJFAPSA-N 427.951 4.885 30 10 IJEE C[C@H](NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1226075022 GTECFTDHKWFOJE-RTFZILSDSA-N 446.551 4.689 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 1230350259 GTJPYWCRBGOWCZ-UHFFFAOYSA-N 426.992 4.554 30 10 IJEE C=CCCC1(CNC(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)CCCC1 1252983962 MGDNZGIUODBAKH-UHFFFAOYSA-N 446.393 4.698 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-n2cccn2)c(F)c1 1264905755 KUNUTLFVMOYUHJ-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 1264919448 TZRFAFBFDXENLV-UHFFFAOYSA-N 425.238 4.779 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(Cl)cc1Br 1265930031 KDYGKGMGHCJSHQ-AWEZNQCLSA-N 430.730 4.628 30 10 IJEE C=C(C)[C@H](NC(=O)/C=C/c1ccc(I)o1)c1ccc(F)c(F)c1 1269600538 UAIRQBGHOFOGDT-JZLODUJNSA-N 429.204 4.609 30 10 IJEE C#CC[C@@]1(C(=O)N2CCCc3c2cccc3C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1276823887 NNPCYTLXBYZKBO-QFIPXVFZSA-N 436.474 4.778 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286313521 BLLBQQHIQWGTOA-GOSISDBHSA-N 447.505 4.729 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)(F)F 1286334081 DFRFYQQEWBNSDU-INIZCTEOSA-N 443.514 4.542 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCCCn2ccnc2C)CC1 1286663768 JHVNNRHSPBSQNU-UHFFFAOYSA-N 434.588 4.553 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1286670613 HTOVIXBEFBLOIJ-CTNGQTDRSA-N 426.605 4.938 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286690619 MKVSJCZASWZTLM-UHFFFAOYSA-N 444.505 4.655 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H]1CCO[C@H]1C(=C)C 1286744520 IJACSESUJDCKKN-RDGATRHJSA-N 447.558 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC1(OCC)CCCC1 1286748974 HJAFZNXRBSQQGD-IBGZPJMESA-N 430.618 4.776 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2CC(OCC)C2)C1 1286803090 GKQIQBOWCAHQTF-SGDIKTSBSA-N 430.980 4.585 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286827097 CTDOSMJVRPOOKC-AUUYWEPGSA-N 436.984 4.661 30 10 IJEE N#Cc1cc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c(F)cc1F 1288003122 DHZQGQCOUSGUNF-UHFFFAOYSA-N 433.340 4.566 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CCOCC1 1288529919 BNOMDQBHCIQQEU-INIZCTEOSA-N 434.009 4.779 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1C 1295784800 AQAICFBJNONNPV-NQIIRXRSSA-N 435.597 4.620 30 10 IJEE C=CC1(CC(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CN(C(=O)OC(C)(C)C)C1 1297140200 WTBJGKUFGWJNRA-SAABIXHNSA-N 438.490 4.881 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC=CCC1 1300591708 WLWXXLLJPGBWBH-SFHVURJKSA-N 443.378 4.983 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccnc(SC)c1 1300644425 VIGWGQQYCRVVFJ-UHFFFAOYSA-N 444.029 4.849 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC1(C)C 1300742280 DAVCJPCJOJFTDO-UHFFFAOYSA-N 433.419 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H](CC)N1CCc2ccccc2C1 1300806072 OYXNGVVPWQFXBD-WNCULLNHSA-N 433.644 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1300887199 ALEGGUUEAACXSE-RDGATRHJSA-N 449.574 4.799 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CC=CCC2)CC1 1301095565 JLIHDZUKKFAUIK-UHFFFAOYSA-N 448.398 4.582 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1301251961 KFLXSOQORJFNST-JOCHJYFZSA-N 437.632 4.629 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1noc2c1CCCC2 1301282322 AXXKOVIXGBSGTF-UHFFFAOYSA-N 435.572 4.907 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)c1nccs1)C1CC1 1301317563 XVYFLVJKUQLGRG-AWEZNQCLSA-N 431.512 4.962 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1Cc1ccnc(OC(F)F)c1)C1CC1 1301321202 ZMWPNZIRIKVKAE-UHFFFAOYSA-N 431.874 4.798 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301601590 QWGVGQKGWNIBBQ-FQEVSTJZSA-N 433.021 4.913 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 1310939762 ZMRHABDEBWWDPL-GFCCVEGCSA-N 441.903 4.555 30 10 IJEE C#Cc1ccc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)cc1 1312682686 YCSNYGXMWOWARR-FQEVSTJZSA-N 437.893 4.746 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 1348998703 WTOYLHMMWPSEDP-DNQXCXABSA-N 426.516 4.924 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 1351103613 OCBWIDSYWMUQFL-NRFANRHFSA-N 437.540 4.587 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1352042711 IKJJVEDHXOYVCI-DEOSSOPVSA-N 447.579 4.861 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1358904043 RZDLADDAEASZLP-OAQYLSRUSA-N 433.600 4.967 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1358911036 IZZQWDQQSMDSJH-UHFFFAOYSA-N 434.588 4.530 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1358911125 LJYKVZVBKYRKDO-XMMPIXPASA-N 426.992 4.577 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1358913103 FVRMASLBQQWGRY-KNKQGSTJSA-N 440.613 4.705 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCSC 1358984721 FGTUGSNFESSSDQ-IBGZPJMESA-N 445.032 4.904 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnn(CC(C)C)c1C 1359001037 KKROOLSZQZOLLO-QFIPXVFZSA-N 448.615 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1359074286 XTEFRTXOOJIIHY-TUACAJSNSA-N 442.991 4.850 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CC(C)C)C1 1359078436 CBFZBTBALARCAG-HNNXBMFYSA-N 434.338 4.634 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1359081932 SFWGQPQCTKIBLZ-QGZVFWFLSA-N 428.334 4.800 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[C@H](C)C1 1359082268 DIFMGLMBWUNFST-ZIAGYGMSSA-N 428.334 4.601 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccsc1 1359105095 JRQJPRATEYOOSO-DOIPELPJSA-N 444.645 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCOC1 1359116809 ZJPFCUOYPRCPRR-INIZCTEOSA-N 439.387 4.993 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)CCCC)CC1 1359161524 HFLRVLKOCFRBDJ-UHFFFAOYSA-N 438.439 4.657 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)CN(C)C)CC1 1359168054 GOTNLPZFEGZVER-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 1359179515 XDESIJFATUOXAY-JOCHJYFZSA-N 438.616 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1359186658 OIBWQUOCZKAYKR-QGZVFWFLSA-N 439.633 4.684 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1NC(=O)CC1(C)C 1359196355 DLNUYQLAJLXCKC-NRFANRHFSA-N 435.572 4.789 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 1359206626 KPDVDLXCYXRADN-GUDVDZBRSA-N 445.633 4.587 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SCC)C1 1359223325 IBCPXFXVRRUDFP-OAQYLSRUSA-N 425.602 4.521 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCn2cc(C)nc21 1359232307 RGRJSFIIMMRCHA-SFTDATJTSA-N 434.588 4.740 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1359259736 GLMYDBFIRJCBHI-LAUBAEHRSA-N 443.567 4.564 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(N3CCSCC3)cc2)CCCN1C(=O)OC(C)(C)C 1360954734 XURLIWHLCCZYNF-QHCPKHFHSA-N 431.602 4.524 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1OC 1435606548 DWXAMQMQCDFTPL-XYDKVEKUSA-N 431.536 4.515 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Nc3nccs3)cc2F)ccc1OC 1443924244 HDXBDPVDVDUEAU-MRXNPFEDSA-N 440.500 4.645 30 10 IJEE C#CC[C@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccccc1 1446337326 MMJCFASMKJLXBW-VXKWHMMOSA-N 432.520 4.749 30 10 IJEE N#Cc1ccc(N2CCC[C@H](Sc3nc(C(F)(F)F)nc4ccccc34)C2=O)cc1 1458855364 HUMSYEBRWWUSTG-KRWDZBQOSA-N 428.439 4.808 30 10 IJEE C=CC[C@]1(C(=O)NCc2cccc(C)c2Br)CCCN1C(=O)OC(C)(C)C 1459071268 ABYVYLPEDLGYIB-OAQYLSRUSA-N 437.378 4.720 30 10 IJEE N#CCSc1cccc(C(=O)N2CCC(OCc3ccc(Br)cc3)CC2)c1 1463443031 DNLRHPMYRDRSBL-UHFFFAOYSA-N 445.382 4.886 30 10 IJEE C#CCN(CC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)C(=O)OC(C)(C)C 1464333362 PLODATOWVOCUCT-KRWDZBQOSA-N 426.488 4.666 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(OC(F)F)c3cccnc23)cc(OC)c1OC 1466201571 GSYKSMSZWYDZFK-UHFFFAOYSA-N 443.450 4.904 30 10 IJEE Cc1cc(F)c(Br)cc1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1466395216 DKMYPQSZCCERJM-UHFFFAOYSA-N 431.309 4.559 30 10 IJEE C=CCN(C(=O)N[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC)[C@H](C)COC 1469064297 HVIVWQPHJRWDDM-ZHRRBRCNSA-N 432.948 4.679 30 10 IJEE C#CCN(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1CCCc2ccccc21 1469775080 ATFKFEXWLDXACO-ZWEKWIFMSA-N 434.555 4.622 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CC)Cc1cn(C)c2ccccc12)c1ccc(Br)cc1 1478895849 GYPXRQBLTKXIPE-PZJWPPBQSA-N 438.369 4.936 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@@H](C)C#N)s1 1492631236 HUZLIHPBCWCEDZ-JKSUJKDBSA-N 447.568 4.765 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOCC 1507661122 NECMUKSKGBWGOO-UHFFFAOYSA-N 426.973 4.703 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccco1 1507746225 NCNMNEHPGDOTIK-INIZCTEOSA-N 430.961 4.667 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(CCC(C)C)C1CC1 1507790340 GDQOAQXCBFNCLB-UHFFFAOYSA-N 437.357 4.920 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC1 1507795371 HYQPTJQGPPJMGI-HKUYNNGSSA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1507796430 HXGQZPNAXZOCSK-CVDCTZTESA-N 442.629 4.619 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(C)CCCO2)CC1 1507899033 ZKVPLRBWVHBARO-OAQYLSRUSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCSCC(C)C)CC1 1507903828 VLQZGNBGBDQVKM-JOCHJYFZSA-N 442.629 4.972 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1507928600 KTYWRAXGZVEGDB-WHSBFGAESA-N 438.616 4.915 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1508118397 VJYBYUZDWMLAHM-ICSRJNTNSA-N 432.515 4.561 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCC1 1508862520 DSHOSAYMLGSIHQ-QPPBQGQZSA-N 441.023 4.849 30 10 IJEE C=CC[C@@H]1N(C(=O)CCOc2ccccc2I)CCCC1(C)C 1519871120 SWIWAAIOBLBDOE-KRWDZBQOSA-N 427.326 4.653 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1523244615 HSAPGZQYUVLDIR-RBBKRZOGSA-N 445.600 4.906 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OC)ccc1OCC(F)(F)C(F)F)c1ccc(Cl)cc1F 1525069723 GQBAUWZHSOIUDQ-MRXNPFEDSA-N 447.787 4.871 30 10 IJEE C#CC1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 1526511848 JZTRIDFVUBMXBB-UHFFFAOYSA-N 448.364 4.716 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1528315740 CQFHAMNKXMCGBD-WIYYLYMNSA-N 443.588 4.625 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1)c1ccccc1 1529738276 UTZCWHQPELUTNA-RTBURBONSA-N 443.341 4.506 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 1530761291 HOGSIFZFDQKCPD-UHFFFAOYSA-N 429.407 4.820 30 10 IJEE CC(C)(C)c1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C(F)(F)F)cc1 1534689404 GGBVRDUBERTZKT-DYESRHJHSA-N 443.469 4.628 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 1537507374 CXDGELVDSXDSHE-HXUWFJFHSA-N 433.458 4.946 30 10 IJEE C#CCC1(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CCOCC1 1538244111 PBLLNEMOMCOFQZ-UHFFFAOYSA-N 431.319 4.548 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1539133792 LFVAWBCLKDSGLM-NRFANRHFSA-N 428.527 4.759 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cn(CCCC)nc1C 1539155464 WAPMNENQKRNSGF-KRWDZBQOSA-N 436.629 4.554 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCO[C@@H]1C(C)C 1539161476 MGKANMUVQJGHNL-HYBUGGRVSA-N 448.567 4.638 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 1539506057 PXWJXYUJKGHYBW-UHFFFAOYSA-N 426.483 4.619 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1539603458 QGQGNPFUUDJSGS-DOTOQJQBSA-N 436.423 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1539631156 JLZBMBQYKANKKP-JTAQYXEDSA-N 444.645 4.705 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](CC)C1 1539639610 AGOHIKKTIFLAGS-YYDVJCTNSA-N 428.552 4.604 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1540090854 YAXRNZNFAONLPG-INIZCTEOSA-N 432.442 4.761 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC(C)(C)C(F)(F)F 1540121277 JEHPGBMWJBAMAS-UHFFFAOYSA-N 442.489 4.936 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1540148245 SIGKRMIKXWAUMS-ZYKOEDHHSA-N 443.661 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1540172384 ZCPQOVDEUZXDFH-NLFFAJNJSA-N 425.596 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1540174969 UBGVFRYIVOUUNL-LJQANCHMSA-N 449.624 4.974 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2csc(C)c2)C1 1540884666 SXANKRIIFZDZTQ-UTKZUKDTSA-N 442.560 4.757 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1546125330 BTDNQNKBKAKBLM-FXAWDEMLSA-N 443.979 4.771 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1547831324 DGFSNCJCCKVLCP-QUCCMNQESA-N 425.577 4.559 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccccc3OC)C2=O)nnc1-c1cccc(Cl)c1 1559391269 VTUUCCADGCUCMI-IBGZPJMESA-N 440.956 4.691 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1562406094 WMTYMKRQYBDPQC-GCJKJVERSA-N 433.618 4.896 30 10 IJEE C=CC(C)(C)CCCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1583868837 GCUWAAFJIXSRAT-UHFFFAOYSA-N 442.419 4.644 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21)c1ccc(Br)cc1 1584709286 YYLAPZQBPRNHQI-CADBVGFASA-N 445.154 4.588 30 10 IJEE COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C(F)(F)F)c(F)c1 1585591970 GNELTNYCMVKWLO-UHFFFAOYSA-N 437.311 4.679 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C(F)(F)F)cc1 1587315062 CMEFWFJAGBEZEL-OAQYLSRUSA-N 445.437 4.863 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCSC1 1588445340 LCZHGNOZSFXDMM-HXUWFJFHSA-N 426.630 4.892 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@](C)(O)C1CCCCC1 1588452013 LSYXFJKEXLPUNH-XMMPIXPASA-N 426.630 4.670 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCCc2sccc2C1 1589043479 ZJEVRNWUHVRRGY-UHFFFAOYSA-N 429.014 4.979 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(Cl)cc1Cl 1589578030 FFJQQWVWVZIARD-SCLBCKFNSA-N 433.343 4.710 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 1593796507 UVISZBJUXDFBHE-UHFFFAOYSA-N 437.613 4.741 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2ccccc2C)nnc1[C@@]1(OC(C)C)CCOC1 1593932576 KRSQNCRDUHSION-NZQKXSOJSA-N 430.980 4.721 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CSC 1594775927 YMKRUVUMUPGLRJ-MSOLQXFVSA-N 435.638 4.648 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C1CCCCC1)N(C)C 1594858157 XDALRQREESPHPP-XMSQKQJNSA-N 429.584 4.690 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1595034208 XYWRWUHJAZWXND-DOTOQJQBSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](F)COC 1595157150 WGQYXNWPHASVFF-QGZVFWFLSA-N 439.560 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1595196609 YNDCCEFBJDOZJO-NHCUHLMSSA-N 432.616 4.752 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](COC)c2cccc(Br)c2)cc1OC 1595856505 HKAOLUWPPZICEA-JQYPEGPJSA-N 446.341 4.540 30 10 IJEE C#CC[C@H](CO)Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 1612435879 VZJNIOCEMCVSNQ-CQSZACIVSA-N 429.998 4.922 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1620299152 GIVIYXNDBWRKKE-CVDCTZTESA-N 435.572 4.826 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc1 1625390501 UOHAZQXFFYCPFL-FQEVSTJZSA-N 436.552 4.839 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 1627351035 MXZSVXNZBNJOMC-YADHBBJMSA-N 447.000 4.651 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(CCC)[nH]n1)c1ccc2c(c1)OCCO2 1627421717 XZFZFAVNJFXLTD-UHFFFAOYSA-N 433.508 4.545 30 10 IJEE C#C[C@H](NC(=O)NCCOc1cccc(C(C)(C)C)c1)c1ccc(Br)cc1 1631901949 HNJMCFBSIVIGQY-FQEVSTJZSA-N 429.358 4.799 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1F 1636571384 TUPVHTOCIZMYKE-SFHVURJKSA-N 440.733 4.992 30 10 IJEE Cc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nnc2-c2ccncc2)cc1C 1640574416 FJDSIDNDYMHAPR-QFIPXVFZSA-N 439.544 4.915 30 10 IJEE C=CCC1(O)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)CC1 1645771958 JUEMFMSRKDEEDG-UHFFFAOYSA-N 448.394 4.991 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1 1649663310 GMXOILWTQWVBKL-RBUKOAKNSA-N 431.556 4.972 30 10 IJEE C#CCCOc1ccc(CNc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 1651045898 KXJHTFAZZPBBSP-UHFFFAOYSA-N 426.582 4.574 30 10 IJEE CC(C)(C)OC(=O)NCCC1CCN(c2ccc(C#N)c(Br)c2F)CC1 1651999508 OPQREIFRZQYYKE-UHFFFAOYSA-N 426.330 4.591 30 10 IJEE C=CCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccccc1 1655806687 KIHARCLABYLCGA-HXUWFJFHSA-N 429.542 4.889 30 10 IJEE C#CCN1CCC(NC(=O)Nc2cc(-c3nc4cc(F)ccc4n3C(C)C)ccc2C)CC1 1659521137 CDGGMLQUGXFNBX-UHFFFAOYSA-N 447.558 4.951 30 10 IJEE Cc1csc(NC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c1C#N 1661563627 FJJZOZGHXFFPCN-UHFFFAOYSA-N 447.358 4.573 30 10 IJEE C=CCc1cc(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cc(OC)c1O 1661803342 VSJTWXLAYVDKGG-UHFFFAOYSA-N 441.535 4.638 30 10 IJEE C=CCC1(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)CCCC1 1663904422 LXRURDIUNQVTLC-UHFFFAOYSA-N 442.297 4.763 30 10 IJEE Cc1cccc(-c2cc(Cl)ccc2NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1671324214 CCGPELNQHDWFOZ-KRWDZBQOSA-N 446.942 4.720 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)cc(OC)c1OC 1671395033 UHXWTDUBUYIWLE-UHFFFAOYSA-N 426.904 4.593 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)NCc3ccncc3OCc3ccccc3)CC2)cc1 1672590098 GUDQELSNCRCQHI-UHFFFAOYSA-N 426.520 4.621 30 10 IJEE Cn1nc(C(F)(F)F)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1673235750 BSZCBVKSACUBQB-UHFFFAOYSA-N 431.393 4.684 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1F 1674035447 AEYPGNPXABGGFF-XXBNENTESA-N 449.954 4.586 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1 1674197216 DYHGWGHQUASSCU-SMDDNHRTSA-N 440.219 4.739 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC1(c2cccc(Br)c2)CCC1 1675013736 BLWMTYNNICILPE-UHFFFAOYSA-N 431.305 4.844 30 10 IJEE C=CCC[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1676840191 GQBSUWHMYDWPFR-HLIPFELVSA-N 427.511 4.511 30 10 IJEE C=C(CNC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1)c1ccccc1 1683121757 QMOZQWLONSWFIC-UHFFFAOYSA-N 427.342 4.989 30 10 IJEE C#Cc1cccc(CNC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)c1 1683157040 RMBPDIOIAKWXEU-KDYSTLNUSA-N 442.559 4.553 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](COC)c1cccc(Br)c1 1683575821 FYMKTDRQLVMACD-FQEVSTJZSA-N 433.346 4.543 30 10 IJEE C#CCN1CCC(NC(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1 1684832831 KTUZSOMKQGZNRB-UHFFFAOYSA-N 432.351 4.683 30 10 IJEE C=CCCC[C@@H](NC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F)c1ccccc1 1684894350 PFERUGFDPXWIMD-VQTJNVASSA-N 445.485 4.903 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1689874852 CLBQIUDETSNMOH-MRXNPFEDSA-N 435.403 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C)[C@@H]1C 1690239346 VCSLJTWFNWHJCZ-IHZGOTPNSA-N 428.552 4.773 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1nccs1 1690419337 OGLGLSLIQHDJIM-UHFFFAOYSA-N 438.601 4.842 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2ccc(OC)cc2)nnc1[C@]1(OC(C)C)CCOC1 1690495862 HJLZBSRAGLTDIU-RDGATRHJSA-N 440.588 4.635 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1Cc1cccs1 1690503917 RXMLDGSGCZZNRL-GOSISDBHSA-N 426.561 4.950 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)Cc1cccs1 1690536394 VPLOBACTUODKNI-KURKYZTESA-N 445.633 4.611 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1C[C@]1(C)OCCc2sccc21 1691007790 ARJDNBHOCFLWFO-CLOONOSVSA-N 449.624 4.599 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1cccs1)N(C)C 1705479131 IWALYWCTHFXKIW-FPOVZHCZSA-N 433.625 4.570 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1705604753 STKSGZVGDOLRAT-IBGZPJMESA-N 444.023 4.796 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1705653794 QAWFMXNSSXZFHF-KFKAGJAMSA-N 431.005 4.530 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705654526 LKBNKJHQDJJGDZ-OKZBNKHCSA-N 428.671 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H]1N(C)CCCC1(C)C 1705673585 FJFDREGPPNMCNU-GBXCKJPGSA-N 426.008 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCOC(C)(C)C 1705694453 BHTMTINPVHDMCA-SIKLNZKXSA-N 438.572 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1nnc(C(C)(C)C)s1 1705713154 VDUBUGNANSKHOJ-UHFFFAOYSA-N 426.590 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCc1csc(C)n1 1705719783 KYVSVHHHLBROCJ-UHFFFAOYSA-N 431.993 4.921 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(F)(F)F)CC1 1705720444 XTGCIGQQXGULLO-UHFFFAOYSA-N 435.494 4.892 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(OCC(F)(F)F)c1 1705835995 AHZQHXFXTWPSPR-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1ccncc1 1705837154 RHLHONBAEIHKAE-UHFFFAOYSA-N 432.753 4.621 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(F)(F)CO1 1705859242 MMYFMZJDPGCANF-GOSISDBHSA-N 445.901 4.610 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1705949416 YICZNVMVDBTEIB-NQIIRXRSSA-N 428.602 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722287110 MUHPLFVEORVEFR-ARFHVFGLSA-N 436.478 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC(CC)(CC)OC 1722467359 RQDJJBNTLVHLDV-FDDCHVKYSA-N 428.552 4.755 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2cccnc2OCCC)CC1 1722579126 APEDRSNKDZJBGL-UHFFFAOYSA-N 431.584 4.698 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(COC)cc1 1722635005 LVJYXCPLLZESLS-UHFFFAOYSA-N 433.375 4.586 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1C[C@H](C)O[C@@H](C)C1)C1CC1 1722648302 MOQDHWAROWBMBB-ROUUACIJSA-N 440.588 4.711 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@](C)(CC)O1 1722652565 IPAIFBKRZCCLIJ-GJZUVCINSA-N 449.599 4.833 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCC2CC2)C1 1722691427 VIPNKUGTBVWCKQ-KRWDZBQOSA-N 437.371 4.745 30 10 IJEE CC(C)(Cn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1)c1ccc(F)cc1 1723029611 BTHOXMXFEBOELP-UHFFFAOYSA-N 432.547 4.511 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)CC(C)(C)C1 1726670581 GNSQULNTAPCOJV-LEWJYISDSA-N 434.632 4.954 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2)CC1 1740761095 MAIVKZCYZNBHRP-XUZZJYLKSA-N 437.632 4.565 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1740783312 DLHHALCQSDLEMM-JOCHJYFZSA-N 436.556 4.829 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CCOC)CCC2)CC1 1740834787 CMGLXSOMYRMWOA-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740851479 XJMIYTALUQJFGG-UHFFFAOYSA-N 433.641 4.915 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740860365 BCMAIECGOLBIOP-APWZRJJASA-N 433.394 4.579 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC2CCCCC2)CC1 1740876823 NUZCWDORAAWXCC-UHFFFAOYSA-N 443.586 4.816 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1740912093 REVMBODPXSRKDW-BGYRXZFFSA-N 439.623 4.919 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1CCCOC1 1740920716 UJMPDEAVVHMLIT-LJQANCHMSA-N 426.561 4.689 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@@H](F)C1 1741797710 AMKUZZMZQIXVFB-HZSPNIEDSA-N 438.320 4.723 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1745825889 FJUSWCCFDISBCG-IBGZPJMESA-N 444.583 4.921 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCC2)C1 1747482222 DLPGIKZMEZIRHQ-NHCUHLMSSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1c(C)noc1C 1748660888 YMQHGIGDZQESHC-KGLIPLIRSA-N 442.361 4.574 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)C)CC1 1748727438 SFYRFVXLYHRERT-UHFFFAOYSA-N 432.037 4.558 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1748759441 KSCAQXAQPXXHMN-UNMCSNQZSA-N 426.630 4.998 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cccc(C(F)(F)F)n1 1748772715 PLRGGYZTJHYRRZ-KRWDZBQOSA-N 443.473 4.566 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1(OC)CCC1 1748882240 MAFPJPFEKDYTOW-IBGZPJMESA-N 436.625 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCCS1 1749080902 XKSUUHXUMPINDM-FDDCHVKYSA-N 442.654 4.857 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)OC1CCCC1 1749216789 TTYLFQYHUDOSKW-UHFFFAOYSA-N 441.395 4.672 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H]1CC 1749424343 GPWMMXGOXGSSEO-RBUKOAKNSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1Cc1cnc(C)s1 1749530158 TUGSBNWDLRFWRU-NRFANRHFSA-N 439.585 4.534 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1CCc1cc(C(F)(F)F)ccn1 1749561128 GOTDRGKQWJZNJD-UHFFFAOYSA-N 443.473 4.789 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Oc2ncccc2F)CC1 1760148165 QVGPPMZSXFMYEM-UHFFFAOYSA-N 439.922 4.594 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](COCC)C1 1760159271 BBBWNYHKCJBBAR-GOSISDBHSA-N 433.021 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC1CCCC1 1760320496 XWPKMBDENNLBTG-XXBNENTESA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1 1760348792 MJXLMGIIGXPVTF-ROUUACIJSA-N 427.549 4.513 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C(C)(C)C1 1760367315 GWHRYMNVMFVRNT-GFCCVEGCSA-N 426.790 4.671 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@](C)(O)c2ccco2)CC1 1760385492 RVFWQQGSNLUXKU-NRFANRHFSA-N 433.339 4.909 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760412025 UYTIMTNPYGKVSA-VXKWHMMOSA-N 442.696 4.533 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760423375 XLUBTMUAGGDAGR-OAQYLSRUSA-N 444.645 4.612 30 10 IJEE C=CCCCCn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760430832 VQAWXKNJJRJUJO-CLOONOSVSA-N 442.579 4.938 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCS[C@H](C(C)C)C2)nnc1C(C)(C)C)C(C)C 1760489783 JWDDRFCXNLUEGP-RTWAWAEBSA-N 433.710 4.852 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1CC(C)(C)C1 1761846273 FMIIYTQVYXXTOW-FQEVSTJZSA-N 434.632 4.812 30 10 IJEE COc1cc(C=NN=C2NC(=O)[C@H](Cc3ccc(C(C)C)cc3)S2)ccc1OC(C)C 1772742173 DQAGSNQBBUYVEU-QFIPXVFZSA-N 439.581 4.770 30 10 IJEE Cc1nc(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)nc(O)c1Cc1ccc(Cl)cc1 1859435392 MPYRVVQYJIOOAH-CQSZACIVSA-N 438.940 4.726 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)Cc1cc(OC)ccc1Cl 1860983131 VVWUWCZYQBANIL-OAQYLSRUSA-N 425.013 4.899 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1c(C)ccc2ccccc12 1860990259 GOBHKFLNULNBDK-VWNXMTODSA-N 438.612 4.981 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861027289 AUOQHPKGPKQEMQ-QGZVFWFLSA-N 443.997 4.576 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861220642 VMRIIFDNIYSOKC-ZEQKJWHPSA-N 429.649 4.660 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)cc1 1862412476 FSHHQAVXDZSZDR-NRFANRHFSA-N 429.463 4.667 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862447444 QMHGMADIYBDUES-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)c(O)c1 1862458745 UTWJARHYUHRSIR-HXUWFJFHSA-N 449.425 4.674 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccccc2F)cc1 1862474964 ZLMTZMVPVLRCSO-HSZRJFAPSA-N 436.527 4.588 30 10 IJEE COc1ccc(OCCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1862475899 WWUOBTIEIDOXLA-XMMPIXPASA-N 443.499 4.661 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862559355 MKVZDVOFWBYIPS-QFIPXVFZSA-N 448.544 4.550 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Br)c1 1862599195 DWSBZFDONGQWRA-SFHVURJKSA-N 430.298 4.533 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862655795 PJAGVYQQDNKQAY-QFIPXVFZSA-N 446.459 4.832 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc4c3CCCC4)=C(c3ccccc3F)C2=O)cc1 1862926148 YMKOTVNIMJLAOF-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE C=CCN(CC=C)c1cc(N(CCO)Cc2ccccc2)nc(-c2ccc(OCC)cc2)n1 1867998487 KLBFFZSINBEABU-UHFFFAOYSA-N 444.579 4.720 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccccc2)cn1Cc1ccc(F)cc1 1870599669 IHBQTEKMHYZJTM-UHFFFAOYSA-N 448.538 4.668 30 10 IJEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870813632 UTUDMGNVSQNXGO-UHFFFAOYSA-N 443.862 4.774 30 10 IJEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccc(OCC)cc2)cc1=O 1870838331 YZEIAHGDHGPCNU-UHFFFAOYSA-N 429.605 4.770 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1nc(-c2ccc(OC)cc2)sc1-c1ccccc1 1871284703 KBCIXLJUXKTMDZ-UHFFFAOYSA-N 426.563 4.848 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871422250 HSSRMFKVUGPNOX-JJFYIABZSA-N 431.444 4.733 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)NCc1ccccc1Cl 1871448485 RKKHDBUVVPMADS-JAIQZWGSSA-N 425.893 4.713 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871456830 YZPAJWDAIFXQTP-MTJSOVHGSA-N 448.406 4.676 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871605139 XMJKUFRDNDRLDF-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)nc(Nc2ccc(OC(C)C)cc2)[nH]1 1871723118 KMKLFWWMTXVVGJ-UHFFFAOYSA-N 444.583 4.923 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871775694 GEUWOOSAFPELIC-MBSDFSHPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871775720 GOIVIMFRUHAAPN-DYESRHJHSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872142965 NYWSYYWSMBNTJF-LJQANCHMSA-N 435.549 4.634 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NS(=O)(=O)c1cc(Cl)ccc1OC 1872604768 CLKFWMOVUKICIQ-SFHVURJKSA-N 447.041 4.662 30 10 IJEE COc1ccc(OCCCc2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc1 1872804736 IKXQPWZSUQSAOS-UHFFFAOYSA-N 426.476 4.707 30 10 IJEE CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1c(F)cccc1Cl 1874238106 RJOAGXWBOJCFAQ-FSJBWODESA-N 434.924 4.673 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)N(CC)CC)nnc2C2CCCC2)cc1 1874451561 FBTPXHKDRARZHR-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(O)cc1 1874477467 BPEGKSRAMHNQTB-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2Cl)cc1 1874512437 XWTGVUIFSNMZNM-FSJBWODESA-N 427.961 4.976 30 10 IJEE CC(C)c1nnc(SCCCO)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874515631 IOMWOSGVDALECA-ZVHZXABRSA-N 444.988 4.991 30 10 IJEE CCOc1cc(/C=N/n2c(CC)nnc2SCc2c(F)cccc2Cl)ccc1O 1874529031 OPIONBHSMGXRPE-FOKLQQMPSA-N 434.924 4.912 30 10 IJEE CCCOc1cccc(/C=N/n2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)c1 1874532670 VCIVYGXZUCUIAA-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)NCc1ccccc1 1874578246 DGOJXOGLBZHGNF-OUKQBFOZSA-N 435.907 4.940 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1C 1874608114 XCJNLFQSWWULIZ-FMIVXFBMSA-N 431.488 4.926 30 10 IJEE COc1cccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)c1 1874698980 XICOKNYQVBEOLJ-ACCUITESSA-N 448.471 4.593 30 10 IJEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875088569 VBUSTNMEMKIYMQ-PKNBQFBNSA-N 432.388 4.547 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(F)cc1 1875095030 VDIUBYBKZSMXMB-YRNVUSSQSA-N 435.407 4.787 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)COc1ccccc1 1875101324 SYFPNQOLXLYVHG-WYMLVPIESA-N 432.472 4.974 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 1903084823 TYBSGFMNOOUDHP-LIRRHRJNSA-N 435.487 4.856 30 10 IJEE C#C[C@]1(Oc2ncc(Br)c3ccsc23)CCCN(C(=O)OC(C)(C)C)C1 1903178454 CIGHLNXKDRHNEQ-IBGZPJMESA-N 437.359 4.841 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1922074070 KAWQWDSLYOOBRF-UMFSSWHCSA-N 446.632 4.574 30 10 IJEE N#Cc1ccc(C2CC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)C2)cc1 1952452771 PGYDTXWZEPUWKQ-UHFFFAOYSA-N 438.483 4.798 30 10 IJEE C#CC(C)(C)CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1956478152 JZKYSEAXBJXAPG-JOCHJYFZSA-N 437.561 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2002864645 LTXMQJZCAICQPI-FGZHOGPDSA-N 432.605 4.542 30 10 IJEE Cc1csc(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C#CCCO 2039333705 DZMDCQHCTKFMGS-UHFFFAOYSA-N 446.616 4.565 30 10 IJEE C=CCN1C(=O)C(=Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)SC1=S 2040445997 BOPRAIUJEUWCFX-UHFFFAOYSA-N 429.592 4.832 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CC[C@@H](CC)N(C(=O)OC(C)(C)C)C1 2040661376 OIZFPEMKKWXYKT-UMFSSWHCSA-N 446.632 4.668 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CC[C@@](CNC(=O)OC(C)(C)C)(C1)OC2 2043010831 AJNOECVBFFJGRZ-HRNNMHKYSA-N 444.616 4.592 30 10 IJEE C#Cc1cccc(CNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1 2180049347 RQBWYIKQQSDFPE-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)Nc1ccc(C#N)cc1Br 2181116097 YXUZWFIGJYBIRY-OAHLLOKOSA-N 436.350 4.829 30 10 IJEE C=C[C@@]1(Oc2cc(Br)nc(C(C)(C)C)n2)CCCN(C(=O)OC(C)(C)C)C1 2195074032 SQZRZODUVTWCBP-HXUWFJFHSA-N 440.382 4.871 30 10 IJEE C#CC[C@H](CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CC1 2196765071 HQSJDOUINXSSKN-MRXNPFEDSA-N 435.362 4.918 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccccc2Nc2ncc(Br)cc2C#N)CC1 2199693240 NZPZWYHPTSLCNT-UHFFFAOYSA-N 429.318 4.973 30 10 IJEE C=CCCCCCCCC[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2207428599 YOCGVVOHZVFJOJ-KEEVHDRGSA-N 437.602 4.810 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C#Cc1cccc(Cl)c1 2212455271 SVXVDPGGQASPMX-WTOYTKOKSA-N 429.944 4.551 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](C(=O)C#Cc2ccccc2Br)CC1 2235715954 DEHMJCACNBUKEX-OQIWPSSASA-N 438.337 4.793 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@@H](O)C#Cc2ccccc2Br)C12CCC2 2235725711 DRWCDSSPFKMLGX-JENIJYKNSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2ccccc2Br)c2ccccc21 2235747272 OPTSRWSCRGDBTO-HKUYNNGSSA-N 427.342 4.667 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C#N 2243918240 CUDPFGJVQANSLK-KBMIEXCESA-N 445.563 4.844 30 10 IJEE CN[C@@H](CC#CC1CCCC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2261102132 APVFGNPNELKMCV-DEOSSOPVSA-N 439.644 4.718 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3cc(F)c(Br)cc3Cl)CC2)OC1(C)C 2282972237 MZOOEZFWILICTO-UHFFFAOYSA-N 446.553 4.940 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O 2293603136 OVSAHXHJZHKWBY-UHFFFAOYSA-N 430.869 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)C#Cc2ccc(Br)cc2)CC1 2296227217 MXZHVBYQKWXXNS-UHFFFAOYSA-N 442.300 4.652 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2296229470 JWMICAPUYOOPTD-LEAZDLGRSA-N 433.390 4.696 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 2296275306 YYUBNELNEHUQNB-DKZVUGQWSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2296302870 OXTBUALYNRGPNA-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Br)cc2)C1=C(O)c1ccccc1 2296924052 OQMQIDVQZUMSDY-LJQANCHMSA-N 438.277 4.664 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2F)cc1 2296935839 KAFFMZKSBCTWIY-IBGZPJMESA-N 438.480 4.534 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccccc3)CC(=O)O4)C2=O)cc1OC 2297592302 XAFZCTQPDQHWQI-SFHVURJKSA-N 428.440 4.761 30 10 IJEE CN[C@@H](C#Cc1ccc(C(F)F)nc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2301931309 RYUIMMMFYLMBQO-FQEVSTJZSA-N 429.511 4.786 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccccc2)c1 2314479002 YKEDURKYOWDUAD-AREMUKBSSA-N 439.511 4.916 30 10 IJEE CC[C@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317350609 VYZAZQUHXAQKAA-GOSISDBHSA-N 432.370 4.798 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1[N+](=O)[O-] 2318574170 GCAGUVMSRSPTOU-UHFFFAOYSA-N 429.477 4.597 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2321997554 LASOTEXCPKVFLT-UHFFFAOYSA-N 449.528 4.912 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 2322054723 YRHWEUHPVKSKOF-UHFFFAOYSA-N 445.446 4.581 30 10 IJEE CCOc1c(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cccc1OC 2322203210 PKWJEKCUEUALEM-UHFFFAOYSA-N 432.549 4.795 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)NC1CCCCC1 2322649206 TUDJJJAEHBKOSJ-UHFFFAOYSA-N 437.536 4.736 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4OC)cc(C)c3C2=O)c1 2323768074 ICVNOZQCXDHLJQ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccco1)O2 2325628240 SVRXNVCYUDKBCA-CQSZACIVSA-N 434.404 4.518 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3C2=O)c1 2325721332 JJBJEEPDJXDGFS-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)cc1 2326660962 HIGFLPZSEXRPHQ-UHFFFAOYSA-N 445.548 4.825 30 10 IJEE COc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)cc1O 2329918732 IDVRNVXTUOYUAE-UHFFFAOYSA-N 446.532 4.746 30 10 IJEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330631968 XQLJYLWVBPVFSB-UHFFFAOYSA-N 438.417 4.609 30 10 IJEE CCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)c1 2330935500 ZMBAXOQKPSXYGA-HXUWFJFHSA-N 426.517 4.842 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)N(CC)CC)nnc2C2CCCC2)cc1 2331017815 FBTPXHKDRARZHR-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1 2331276444 XSXKBASZSDOCRS-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)c1 2331362608 HSKVDRZSTRGDSW-UHFFFAOYSA-N 437.569 4.587 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1)NC1CCCCC1 2331531379 SMMPENGYBQPJMT-UHFFFAOYSA-N 431.993 4.622 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2cccc(C)c2)nnc1C(C)C 2331684614 AAFGHUNTKAEILF-UHFFFAOYSA-N 440.569 4.910 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332148614 XRMSSPJQLQWKEQ-UHFFFAOYSA-N 426.307 4.774 30 10 IJEE CCCN[C@@H](C#CC1CCC1)c1cc(Br)ccc1I 2337433731 DBYBHXMYTUMWKD-INIZCTEOSA-N 432.143 4.898 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576153 DZEVRGHINRLKIA-MJGOQNOKSA-N 443.397 4.641 30 10 IJEE C[C@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339594498 VPISRLKPNLSBIC-KICKTSRDSA-N 444.381 4.893 30 10 IJEE Cc1cc(CNc2ccc(I)cc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343650488 XRMDZAZQXGYUIQ-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)N 2381191847 NLNOLTPCVGNZJO-UFNANVBGSA-N 434.378 4.990 30 10 IJEE Nn1c(N/N=C/c2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 20528287 VMHBNTJMXKAFDN-ODCIPOBUSA-N 427.748 4.690 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/C=C/c3ccccc3)n2)cc1Cl 21079009 DYAUQQTVXRQVEV-UCXQJLNCSA-N 426.933 4.608 30 10 IJEE CCCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1ccc2c(c1)OCO2 33915997 XRMSYSUEHVRWIS-UHFFFAOYSA-N 429.520 4.944 30 10 IJEE C=CCc1ccc(OCCCCn2c([C@H]3CC(=O)N(C)C3)nc3ccccc32)c(OC)c1 40250822 NROXDKUOQOWTFT-FQEVSTJZSA-N 433.552 4.578 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc4c(c3)OCO4)c2C)C1=O 41291324 HRKIGSDMGHLGKG-FMCGGJTJSA-N 444.439 4.958 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc4c(c3)OCO4)cc(C)c2C1=O 41291487 LBKMNTUGZIRVEK-KSEXSDGBSA-N 444.439 4.958 30 10 IJEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)c1OC 41649046 NOJVFGGQQFNNOJ-NHDPSOOVSA-N 433.460 4.574 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C[C@H]3CCCO3)C4)C2=O)cc1 62977262 VNIUTLGRMKFMSJ-IHQWOVMBSA-N 448.563 4.788 30 10 IJEE COc1ccc(-c2nc3sc(C)c(C)c3c(=O)n2Cc2cccc(C#N)c2)cc1OC 96525760 GABAGZXDGDFGCV-UHFFFAOYSA-N 431.517 4.679 30 10 IJEE CCCCCCCCCCCCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCC(C)C 100442174 HTROPVSHBBANOU-JOCHJYFZSA-N 438.653 4.994 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 102711430 XFHWSIIVVATRSO-RKKARLDVSA-N 446.503 4.915 30 10 IJEE CC(C)(C)c1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 102904495 RFWDBCJGSVWHQQ-LYHOESIGSA-N 437.496 4.601 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCN(CC)CC2)C1=O 169985758 VYCGIDTWVUMHLR-UHFFFAOYSA-N 443.607 4.684 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccn2)cc1C 169998399 UTESOAMLOXUXFK-QHCPKHFHSA-N 430.479 4.659 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170117153 ZZAZIWGAWILRNO-WNSKOXEYSA-N 433.504 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1Cl 170132703 FIXIEGCCLUMZRR-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC(C)C)c1 170152742 XJYKACNXZSSBJM-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(OC(C)C)cc2)C1=O 170172954 YXLLNQAAMDDGMJ-UHFFFAOYSA-N 426.900 4.514 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)ccc1OC(C)C 170173293 GRGMYWXEVKJCGX-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)ccc1Cl 170177899 COLZLIKRQXIKPS-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccc(OC(F)(F)F)cc1 170179484 HOHOWLKKICGYMT-UHFFFAOYSA-N 435.402 4.564 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 170231133 PTJBOWNQKJIITF-QHCPKHFHSA-N 428.488 4.647 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 170244745 GCAYOVZRPFODTG-JOCHJYFZSA-N 425.500 4.872 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(C)o3)oc12 170308021 OUXACZBEBRBSGO-OAQYLSRUSA-N 444.443 4.516 30 10 IJEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(C)c2)cc1 170460533 GQICRZGYDYUYAQ-JOCHJYFZSA-N 445.471 4.938 30 10 IJEE Cc1nnc(NN=Cc2ccccc2C(F)(F)F)n1N=Cc1ccccc1C(F)(F)F 254390997 AVOPKEIKDNQMDD-UHFFFAOYSA-N 440.351 4.952 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N2CCCN(Cc3cscn3)CC2)cc1 303143862 DZHLSVZQTKNBLS-UHFFFAOYSA-N 448.617 4.655 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 475554154 RDNNWLIIEPQUKS-UHFFFAOYSA-N 443.613 4.688 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 519188154 FBGSSGGCGLFRFB-IERDGZPVSA-N 437.371 4.602 30 10 IJEE COc1ccc(N2C(=O)C[C@H](Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2=O)cc1Cl 521373218 BEAICZCFRLMBRU-NRFANRHFSA-N 447.878 4.757 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(Nc3ccc(C#N)cc3)=C(SCc3ccco3)C2=O)c1 526666381 ABUUIBGSTLXHAB-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cccc(OC(C)C)c1 526826545 UYPIKHOWNOTGDN-OYKKKHCWSA-N 438.553 4.589 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 535114302 AVZJKBHSKIWFPA-NHCUHLMSSA-N 446.910 4.530 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N3CCC[C@@H](C)C3)CC2)c1 585953766 FIWHRFXGBSXDHH-LJQANCHMSA-N 426.605 4.570 30 10 IJEE C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)c2)C[C@@H](C)O1 586683794 GGGOWJXQYICJDB-GASCZTMLSA-N 440.569 4.811 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C1CCN(C(C)C)CC1)c1ccc2c(c1)OCO2 673666638 UNSOTKSOFZQJSU-UHFFFAOYSA-N 436.552 4.634 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 733197597 PRDGNJOJCVOANP-IBGZPJMESA-N 425.941 4.632 30 10 IJEE C[C@H](OC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)NC1(C#N)CCCCC1 764060044 VHMHZMOECAORPM-RERGGYADSA-N 428.838 4.560 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(OCCc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 790520109 DLTUFHJSHXQKMS-AREMUKBSSA-N 442.600 4.583 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 797685501 YGUNJFBNHWUTBX-UHFFFAOYSA-N 449.261 4.794 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1124510850 GYNVYHDGMTUGSQ-XMMPIXPASA-N 442.581 4.638 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c1 1125843188 YZXQUWYWRNOSDP-UHFFFAOYSA-N 428.444 4.584 30 10 IJEE C#CC[C@@]1(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CCCN1C(=O)OC(C)(C)C 1136110220 CTQMYPNXSOVDGN-SANMLTNESA-N 433.552 4.577 30 10 IJEE C=CCc1ccc(OCC(=O)NCC2(c3cccc(Br)c3)CCC2)c(OC)c1 1136363012 MHNMIPXWJHTZPH-UHFFFAOYSA-N 444.369 4.803 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1(c2ccc(I)cc2)CC1 1154367119 JTUONUODBNYADM-UHFFFAOYSA-N 447.316 4.859 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cnc(-c2cc(Br)ccc2OC)s1 1159777695 GRGVEOWLVPMINY-OAHLLOKOSA-N 449.370 4.721 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(Cl)c(Cl)c1 1159917362 GECHASQHJVCUSC-QGZVFWFLSA-N 431.360 4.738 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(Cc2ccc3c(c2)OCO3)c2ccccc2)cc1C 1167975262 ARYVSJARGWEJLV-UHFFFAOYSA-N 441.531 4.986 30 10 IJEE Cc1ccc([C@H](NC(=O)COc2cc(C#N)ccc2Br)c2cccs2)cc1 1189901778 GCAXYQYADPTKOT-NRFANRHFSA-N 441.350 4.975 30 10 IJEE CC(C)CN(C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccc(C#N)cc1 1191837955 HEJOSSXCJXYNOU-JOCHJYFZSA-N 427.589 4.827 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(C)c2ncccc12 1209063657 FITSCPRUHLUXGZ-UHFFFAOYSA-N 449.345 4.822 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 1219084358 JSJRMEVQVKBKIR-IBGZPJMESA-N 435.293 4.758 30 10 IJEE CCOC(=O)c1c(NC(=O)N(C)C2c3ccccc3-c3ccccc32)c(C#N)cn1CC 1219174211 HRVHECONOLACBY-UHFFFAOYSA-N 428.492 4.790 30 10 IJEE CN(Cc1cccc(O)n1)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1219256162 HDFVNBBQHOACHH-UHFFFAOYSA-N 425.304 4.741 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(C(F)(F)F)c(F)c3)CC2)c(F)c1 1219573906 BIRCIMMEJDFGTL-UHFFFAOYSA-N 425.357 4.931 30 10 IJEE C=CC[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 1252888473 OFGHXLPUGHFJAG-DUXKGJEZSA-N 431.552 4.526 30 10 IJEE N#Cc1csc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)c1 1264527406 HHCWNNFOHQGVGW-SFHVURJKSA-N 427.982 4.864 30 10 IJEE N#Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1Br 1272170841 CMKZDILTEGLANI-UHFFFAOYSA-N 438.256 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1CCCCC1 1286278463 DGLMDKJZUDGNGZ-HNNXBMFYSA-N 431.378 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(C)cc1OCC(F)(F)F 1286306283 ZJRJLDIEGWKKSF-QGZVFWFLSA-N 434.506 4.767 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc2c(s1)C[C@H](C)CC2 1286440777 LDHRCSARVCEGLN-CQSZACIVSA-N 443.979 4.827 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1286496300 POAHNZZPBQCBHB-DNVCBOLYSA-N 436.984 4.528 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1286556693 FAGNQMPFJWQEJX-GHTZIAJQSA-N 447.048 4.835 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1286558387 OKZTUAOFOBEBJO-NFBKMPQASA-N 439.991 4.634 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCCCCC1 1286568831 YOUBGRZUUUPMGY-WMZHIEFXSA-N 428.552 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1c(CC)nn(C)c1CC 1286572053 XVIMEIZMMBDSLD-UHFFFAOYSA-N 443.599 4.802 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@](C)(C#N)C1 1286620105 FZTAQTXOENMTFB-HTAPYJJXSA-N 429.952 4.699 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](OC)C(C)C)CC1 1286653922 FNRAHWBBYZMTNI-LJQANCHMSA-N 433.394 4.781 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@H]2CCCCO2)CC1 1286654529 GVTGECQVKCRQKD-LJQANCHMSA-N 430.980 4.969 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)NCCCC)CC1 1286696116 UKLXTQNUDJQKJS-UHFFFAOYSA-N 447.986 4.837 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1286698778 HAZXPPWQPUYNTA-HXUWFJFHSA-N 449.521 4.831 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cc(C(C)(C)C)no1 1286719918 NBOPWPGPZGERQV-UHFFFAOYSA-N 448.340 4.803 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286745692 ZTBDJHDUCCWIQF-AOHZBQACSA-N 437.632 4.690 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H](C)C#N)s1 1290294638 FQEBPGKAOPGNOB-QAPCUYQASA-N 438.601 4.638 30 10 IJEE CC[C@@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCCN(C(C)C)C1 1291463771 GXNRFBYTXHMOSP-NFBKMPQASA-N 434.632 4.953 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)CCC(C)CC1 1299818315 AXMNABQTZKWUPB-UHFFFAOYSA-N 439.604 4.806 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1300285980 CQRSZYAHNXNZCY-RBDMOPTHSA-N 435.959 4.619 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C2CC2)ccc1F 1300441761 YVYVQELJGUETBE-UHFFFAOYSA-N 445.361 4.903 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1CCC(C(F)(F)F)CC1 1300472661 GEHHFTVOLRGZRW-UHFFFAOYSA-N 434.506 4.912 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)CC 1300644268 YYDWNAJMCBPVHN-VWLOTQADSA-N 442.579 4.534 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCC[C@@H](SC)C1 1300741262 QYFJYCPNTLFHBD-RTWAWAEBSA-N 428.671 4.908 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@@H](C)C2)CC1 1301087731 RUMCUNFNDZJYLM-OAQYLSRUSA-N 425.596 4.677 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)CN2CCCCC2)CC1 1301096050 UYEFTTFRNPWNRA-JOCHJYFZSA-N 437.632 4.698 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@H]2CCOC2)CC1 1301134223 GIKHNSBEZYVODS-NRFANRHFSA-N 438.616 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1301145719 FJOSYTODPOKXDF-IBGZPJMESA-N 441.595 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301158924 QKLNWOYURCPZSS-BKSPAHHJSA-N 430.637 4.938 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1301166400 VKSDTAFDRQAMBA-WIYYLYMNSA-N 447.549 4.978 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1301244993 CFQBXCGKUQTOSN-SFTDATJTSA-N 440.588 4.714 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1301246046 OPRVQLGSVMHLEB-ROUUACIJSA-N 445.405 4.701 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)C(=O)NC 1301357200 JMDMHFSDIBKUTM-UHFFFAOYSA-N 444.004 4.625 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)c2cccs2)C1 1301546385 QVNCGXJGKYDTFX-FQEVSTJZSA-N 438.597 4.774 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H]1CCOC1 1301597555 SJXZFILMKZKEQN-SFHVURJKSA-N 441.626 4.521 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)C1 1302667817 GPBOOPBETUXJBD-SIKLNZKXSA-N 427.643 4.824 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)c1ccccc1 1304747021 QPJDQJQIXQLKAX-MLNJSSBLSA-N 435.571 4.582 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(I)ccc1C)c1ccc(Cl)cc1F 1310572637 XJFDPVDXQXCKRU-OAHLLOKOSA-N 442.659 4.888 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H]3CCN(C)[C@H]3c3ccc(Cl)c(F)c3)cc21 1311251461 CGKPSISHWSHQHQ-VGSWGCGISA-N 441.938 4.829 30 10 IJEE C#C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)C1 1311453024 ZKXYUWTZRXZANL-AVRDEDQJSA-N 439.650 4.624 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)cc2C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 1346076772 FXKLESXPJCZOOK-HSZRJFAPSA-N 447.627 4.757 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(OC)c1 1347800878 UEKNXXMWURTIHK-UHFFFAOYSA-N 443.565 4.596 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc1 1355494473 VJCIIEUQGRPTJP-UHFFFAOYSA-N 447.000 4.987 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCc3c(Br)cccc32)cc1OC 1358262045 RCWOTEJBJZIPFT-ICEKFOEVSA-N 428.326 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN1CCCC1 1358872584 WGRIMIQEHSRIKL-RBUKOAKNSA-N 444.023 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1scnc1C 1358878471 XCRKDQJWKAZMDR-GJZGRUSLSA-N 425.627 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C)s1 1358880825 UAVHNZDLKGYXLF-LBPRGKRZSA-N 433.350 4.723 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1358985241 TVJFFIQYGOULLQ-LDVJMBRRSA-N 446.595 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(F)c1 1358987300 AAKHCTJFVVUFIX-SFHVURJKSA-N 432.568 4.782 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1359099683 RLDVHOGIACSHJH-RSEQLOHWSA-N 437.632 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](OC)c1ccc(Cl)cc1 1359114529 NNKUMZRKRMGFPR-OAQYLSRUSA-N 425.964 4.707 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1359177909 DTLAAIZBTNXZDR-FHWLQOOXSA-N 426.527 4.943 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN(C)CC(F)(F)F)C1CC1 1359247936 UUHKBPYTUULHQD-UHFFFAOYSA-N 427.902 4.638 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCC(F)(F)C1 1359258109 GOWJTXQMAJQMON-VQTJNVASSA-N 443.542 4.637 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cscc2C)C1 1359324433 LDNWELGIOWEJRG-OAQYLSRUSA-N 438.597 4.673 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1ccc(Br)cc1 1450276235 SNTUBSHLNPIMKY-HNNXBMFYSA-N 432.115 4.797 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 1451174476 GDVZEDGTUPFUOV-INIZCTEOSA-N 430.220 4.705 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1nc2cc(Cl)ccc2o1 1454691715 VYGQLYRZDVQDHK-CQSZACIVSA-N 442.343 4.868 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1456452437 ZITGSDWSJHTKIZ-GOSISDBHSA-N 434.280 4.835 30 10 IJEE C=CCN(C(=O)Cc1cc(C)n(-c2ccccc2)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1458994401 FHXCCDBVYJNBOH-AREMUKBSSA-N 444.575 4.826 30 10 IJEE C#Cc1ccc(NC(=O)CCN2c3ccccc3[C@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 1460666111 MQRCWACJLIFAOU-QHCPKHFHSA-N 433.552 4.861 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)cc1 1460796487 YQRSCXGILFOSDU-BSRJHKFKSA-N 438.955 4.613 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(Br)c(F)c2F)cc1OC 1462011093 WHZIFDWCFKQVHL-UITAMQMPSA-N 438.268 4.630 30 10 IJEE C=CCC(F)(F)C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1463017662 TVZWRMTYHWQZJF-UHFFFAOYSA-N 427.348 4.987 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(COc3ccc(F)cc3)cc2)cc1 1465340170 FXDVESJPBFSGGA-UHFFFAOYSA-N 433.483 4.642 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C 1466817336 ZEVUXUJPSWGWDQ-KSSFIOAISA-N 425.367 4.977 30 10 IJEE C#CCN(C(=O)NC[C@H](C)c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1468427055 SIPCRWWERJEDTR-YWZLYKJASA-N 445.332 4.860 30 10 IJEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl)C(C)(C)C 1468598749 WCNNSEMGROVTRV-FQEVSTJZSA-N 432.973 4.535 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 1468850501 UTUGXJZNNFAXSN-QFIPXVFZSA-N 427.568 4.668 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 1469272964 AHEITWIKRGYKLR-MHECFPHRSA-N 442.519 4.670 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1ccc(Cl)cc1 1470662231 GPKKFZHDSYKGDQ-MOPGFXCFSA-N 433.980 4.739 30 10 IJEE C=CCCC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)C(=O)OC 1471894907 HXRSFGJMPQEUAG-QWYDYZLZSA-N 430.504 4.942 30 10 IJEE C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1475954276 AYZBUUPABRYPIQ-QGZVFWFLSA-N 431.471 4.627 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)CCCCC1 1476443376 PEMJKPXRJPVYBY-GOSISDBHSA-N 430.467 4.894 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](C)Oc3ccc(Br)cc3)cc2n1 1477121628 WSFOKENBOLCJHW-CQSZACIVSA-N 429.318 4.574 30 10 IJEE COC(=O)c1cc(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc(F)c1Cl 1477199042 HENAUJOPUQVAJE-UHFFFAOYSA-N 436.711 4.614 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1478471555 ADCFGSCNFCMNHA-BVZALQNUSA-N 435.515 4.671 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(C)(C)C 1478678512 KWKYLDYKUBXRLL-HMXCVIKNSA-N 445.579 4.513 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(COc2ccc(F)cc2)cc1 1478878906 VIXQRCSRARRWKZ-UHFFFAOYSA-N 438.499 4.778 30 10 IJEE COC1CCC(CCn2c(-c3ccccc3F)nnc2N(CCC#N)CC2CC2)CC1 1504465072 GDHZXJASQXKMMU-UHFFFAOYSA-N 425.552 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cn(CCCCC)nc1C 1507534496 UDJVNWAVJZTEGI-GOSISDBHSA-N 429.572 4.628 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cccnc1Oc1cccc(F)c1 1507543340 VVUCRGSPIMCNSE-SFHVURJKSA-N 433.531 4.843 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1507753168 ITPBXSKTEGAPEO-OAQYLSRUSA-N 438.572 4.871 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCC(F)(F)C1 1507763061 KVGUCOLIMCULSN-GAJHUEQPSA-N 444.526 4.780 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(C)CCCO2)CC1 1507899371 DEBGGUHRCSRMHT-NRFANRHFSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccnc(SC)c2)CC1 1507903786 GKTMWMMXKFWMHV-UHFFFAOYSA-N 449.624 4.640 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1507923861 DUVFURUBEUBUCC-NRFANRHFSA-N 439.604 4.782 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507959519 QHRAQBUWBOJQJP-CALCHBBNSA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)cc1C 1507985947 FVBUZOLETLDHSR-FQEVSTJZSA-N 425.577 4.637 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1CCOc1cccc(C(F)(F)F)n1)C1CC1 1507995346 IJFRXUFMQWUGKZ-UHFFFAOYSA-N 435.494 4.658 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1508019799 JHWMESFIMMIEIC-UKILVPOCSA-N 429.568 4.610 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCc1sccc1C 1508037225 HBBDNHZYHYKIAM-UHFFFAOYSA-N 433.581 4.745 30 10 IJEE CCc1cccc2c(CCn3c(-c4cccc(C)n4)nnc3N(C)[C@@H](C)CC#N)c[nH]c12 1513675968 BCJAOWQRKHLFLK-SFHVURJKSA-N 427.556 4.673 30 10 IJEE CC[C@H]1CCCCN1CCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1514046485 BRNMZBIUTYXYSK-DEOSSOPVSA-N 434.632 4.783 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1)C1CCCC1 1516105574 GKAYBWSWRVADMM-FQEVSTJZSA-N 429.515 4.648 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCN(Cc2ccccc2)C1 1520490218 AJIWNIWYHWFDFC-DEOSSOPVSA-N 425.532 4.906 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 1521115001 KYFAGYNWXMPPLO-UHFFFAOYSA-N 446.530 4.798 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc(C(=O)OCCCC)cc2)CCCN1C(=O)OC(C)(C)C 1523016763 OHLMAAUKCIEZIQ-DEOSSOPVSA-N 431.529 4.895 30 10 IJEE C#Cc1ccc(CNC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cc1 1526408557 JCVLFSYNDFRRPK-UHFFFAOYSA-N 447.332 4.542 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1527974281 DSUDBAGWODGFKV-HXUWFJFHSA-N 429.520 4.800 30 10 IJEE N#C[C@@H]1CCC[C@H](OC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 1528079406 BGNLSGIEEHXYLZ-PBHICJAKSA-N 428.330 4.753 30 10 IJEE C=CCCC[C@@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 1532877401 JYCFJNXCCQLVBA-ZJSXRUAMSA-N 426.988 4.970 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc(C(C)(C)C)s2)nnc1-c1ccco1 1537547573 KVFQREILQBMDQZ-UHFFFAOYSA-N 430.599 4.882 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539049017 DEJKOYMPGAIFIS-LJQANCHMSA-N 432.515 4.601 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCC1=CCCCC1 1539400882 MPDFQJWZSHNMIA-UHFFFAOYSA-N 443.389 4.684 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)OC(C)(C)C 1539433394 WDTKWLSUEFUHQM-UHFFFAOYSA-N 435.549 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=C)Br 1539652136 NZYLPWCRGTWBBD-UHFFFAOYSA-N 427.350 4.646 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539690746 IMXHEXKUMVVIBA-HNNXBMFYSA-N 436.387 4.571 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1539785790 CHXONQURJKNSMK-HNNXBMFYSA-N 449.411 4.691 30 10 IJEE N#Cc1cc(NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(F)(F)F 1539858342 FEXHHYILOABQOE-UHFFFAOYSA-N 449.610 4.890 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1539948559 ZMZOQEFMTKIOBA-VWLOTQADSA-N 437.588 4.510 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1539953958 QLNXKISDOCRFDD-FQEVSTJZSA-N 441.645 4.737 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(OC)ccc1Br 1539997866 WBPVDYLXIRWOSJ-UHFFFAOYSA-N 430.350 4.647 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC12CCC(CC1)C2 1540071879 PIWNPAFRQSOIAB-UHFFFAOYSA-N 429.609 4.595 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CCOC(C)C 1540127803 VDNABYJJUAXCON-UHFFFAOYSA-N 444.377 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccccc1COC 1540143050 REUDHBJUSNQUPA-UHFFFAOYSA-N 431.565 4.789 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCc2cc(F)cc(F)c2C1)C(C)C 1540152329 RYTZQCGMWSDCEQ-QHCPKHFHSA-N 441.570 4.695 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1nc(C)cc1C 1540153317 CLAAKAKSQBOQOL-UHFFFAOYSA-N 441.583 4.884 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@H](C)N1CCc2ccccc2C1 1540182154 KOBCFNYGQWFQPT-NRFANRHFSA-N 433.600 4.676 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cccc(C)n2)CC1 1554682939 HWHBJQKWPVWOHG-SANMLTNESA-N 444.583 4.548 30 10 IJEE N#Cc1c(NC(=O)CN(Cc2cccs2)CC(F)(F)F)sc2c1CCCCC2 1559713954 DXHNLDYKHMYCDI-UHFFFAOYSA-N 427.517 4.953 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)cc1 1559859356 AYTRPTYTYYFXMJ-HHHXNRCGSA-N 431.624 4.662 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1562197255 HIZUARYLQDOROL-KDURUIRLSA-N 427.520 4.981 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 1563443016 FXMNJUKRJOGUOU-AREMUKBSSA-N 432.612 4.649 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCOc2c(F)cccc21 1564579108 HRJBELAWALVSDC-SFHVURJKSA-N 437.284 4.949 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 1584708100 KPXLWKOLDYLPHG-KSZLIROESA-N 433.143 4.806 30 10 IJEE Cc1nn(C)c2ncc(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cc12 1584709044 BDTMMQXEKWXPHC-UHFFFAOYSA-N 434.315 4.818 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 1586140481 WWPXBENQRKKSOM-CYFREDJKSA-N 434.580 4.952 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 1587425669 GXVSSXJLZWINOE-UHFFFAOYSA-N 430.639 4.929 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCC[C@H](C)C1 1587592193 AMVNVRBRLCDQKO-ZWKOTPCHSA-N 431.987 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1cc(C)oc1C 1587592861 GARLYQYUAXTVHZ-WHEQGISXSA-N 447.366 4.827 30 10 IJEE C#CCCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1587723502 LOKTWBDEQLRLKO-XLIONFOSSA-N 438.572 4.823 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC(F)(F)F 1587787537 OXZZZVMRSWKZPL-UHFFFAOYSA-N 435.277 4.966 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC(F)(F)C1 1588189719 QSWWWTGAUXZCQS-MRXNPFEDSA-N 447.327 4.606 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)c1ccc(F)cc1 1589687766 NUVDWQCYGQGSML-KRWDZBQOSA-N 441.576 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1cccnc1Oc1cccc(F)c1 1589694643 OXOAZJVZAYMWHU-OAQYLSRUSA-N 437.519 4.907 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 1589715062 AFTLGKJVLLYVFT-LJQANCHMSA-N 429.584 4.692 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCSC(C)(C)C1 1593600664 ZJFCLULKJVZJBA-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C2CCC1(C)CC2 1593718205 QGOLOMLTPXYKSY-UHFFFAOYSA-N 440.588 4.855 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@@H](CN(C)CCC)C2)nnc1C1(c2ccccc2)CCC1 1593931822 AJKIQJNJLQBOOT-FQEVSTJZSA-N 428.024 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCc2oncc2C1 1594461521 TVSMLGJLDSLKRC-UHFFFAOYSA-N 448.390 4.922 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 1594627678 WKXKBMOUKKGVRC-LJQANCHMSA-N 447.624 4.569 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@](C)(OC)CC1 1595648499 DJHFFCYQJDONSC-RUZDIDTESA-N 436.556 4.855 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2CCCC2)C(C)C)nc2sc3c(c2c1=O)CCCCC3 1613118842 ZUHYOPVOACOYEP-LJQANCHMSA-N 445.654 4.652 30 10 IJEE Cn1cc(-c2csc(NC(=O)c3c(F)cc(C#N)cc3F)c2C(=O)OC(C)(C)C)cn1 1617485958 AGLIKMXWASHHLQ-UHFFFAOYSA-N 444.463 4.506 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1OC 1621375328 VWIMHHAASFFIKM-LJQANCHMSA-N 436.980 4.937 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccnn1CC1CCC1)c1ccc(C(F)(F)F)cc1 1621949522 PNTGXFRTYLNQND-SFHVURJKSA-N 427.492 4.688 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCCN3CC(F)F)cc2Cl)c1 1623028290 BRFQKFILGGXGLT-SFHVURJKSA-N 448.901 4.642 30 10 IJEE Cn1c(=O)oc2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c(F)cc21 1629530653 BWSWKUATGPCEFZ-UHFFFAOYSA-N 433.464 4.687 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 1636098280 DZUUBGSAVFUZHC-SFTDATJTSA-N 429.358 4.719 30 10 IJEE C=CCC[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1 1636926120 LLBSTOUKHJBJJA-SFHVURJKSA-N 426.385 4.537 30 10 IJEE C#CCN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1638461723 UUUUWDLRXXXGOL-SANMLTNESA-N 438.527 4.666 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1 1641006603 WPHCOTRMDFBGRK-IRXDYDNUSA-N 426.916 4.534 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1C 1645613886 FXDMFALXCGXAFR-HHHXNRCGSA-N 441.575 4.786 30 10 IJEE N#Cc1ccc(Br)c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 1652071604 GGPYPXORGPFNKT-UHFFFAOYSA-N 438.291 4.657 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)C(=O)OC)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1652384364 DAJGEAUGZHTHHF-DZGCQCFKSA-N 447.626 4.566 30 10 IJEE C=CC[C@@H](Sc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(Cl)cc1)C(=O)OC 1655981915 NOQRILRPJREAGW-OAHLLOKOSA-N 434.970 4.927 30 10 IJEE C#C[C@H](NCc1cnc2c(C)cc(Br)cn12)c1ccc(Br)cc1 1658193264 MKFQQHKUPHOAMU-KRWDZBQOSA-N 433.147 4.632 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C(F)(F)F)cc1 1668177435 SOVRSENLPJHZJH-KRWDZBQOSA-N 428.432 4.908 30 10 IJEE C#CCSCCNC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 1668188881 ZLNAUEWGXYERRA-UHFFFAOYSA-N 441.622 4.838 30 10 IJEE C#CCN(C(=O)Nc1cccc(SC)n1)[C@H]1CCOc2ccc(Br)cc21 1669745981 WXDWSYHPSIPZGP-HNNXBMFYSA-N 432.343 4.557 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1 1673820083 RVXQUUSUMXFUJJ-YADHBBJMSA-N 446.595 4.628 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl)C1CCN(C)CC1 1678594776 QKJSKCCOPTZWAI-QHCPKHFHSA-N 427.951 4.616 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)C(C)(C)C 1683005197 CCTKAZBUENZIKR-PKOBYXMFSA-N 429.561 4.983 30 10 IJEE C=CCC1(NC(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)CCCCC1 1683754988 OSWVVELAECZGOF-UHFFFAOYSA-N 434.606 4.515 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H](C)CCC 1690163409 FEDLODCRTXAARR-AWEZNQCLSA-N 439.398 4.838 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)CN1CCCC1 1690271648 XZQWWBBPOPGECU-NHCUHLMSSA-N 431.669 4.721 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCCCC2)CC1 1690367624 VTBIVYOOXMYVGW-UHFFFAOYSA-N 431.531 4.579 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC)Oc2ccccc2F)CC1 1690410865 ZYLWJYBTMHUXSE-UGKGYDQZSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOC[C@@H]1C 1690424612 VCDPEXCNEUNABE-HNNXBMFYSA-N 449.393 4.544 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1690444760 LTLNSDACIBXTCY-HSZRJFAPSA-N 426.568 4.754 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1690483162 JWZSDPPIXNNPNM-NRFANRHFSA-N 440.588 4.846 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1690549736 IUUDPJNZYPBXBT-UHFFFAOYSA-N 447.436 4.613 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1Cc1sccc1Br 1691008095 DSEFYAQGBMXKST-OAHLLOKOSA-N 444.402 4.531 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCCO1 1705509536 JUFWFOWPQGUVPZ-OAHLLOKOSA-N 437.407 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCN(C(C)C)C(C)C 1705671310 DZVQPISKBNFVPD-AREMUKBSSA-N 430.600 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnccc1OC 1705710941 VBYPUDUFHLLUFN-QGZVFWFLSA-N 441.963 4.926 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)c1nc(C)cs1 1705712525 XEVGADDCCXOXBO-INIZCTEOSA-N 441.601 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1705714612 BCRWKSCQEOHHNQ-GGAORHGYSA-N 434.588 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC1(c2ccccc2C)CCOCC1 1705714677 CYZVQXXLCCOVPO-UHFFFAOYSA-N 433.600 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1705719210 OXLVSHLXGTUJJI-SFHVURJKSA-N 447.649 4.836 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2(OC)CCC2)CC1 1705764197 QTBWWLBVIZOYQQ-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(CCc2cccs2)CC1)c1ccccc1 1705797401 VWZIKTJSVMWMMH-JOCHJYFZSA-N 435.641 4.627 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](COC)C1 1705801241 YOWRIBSLFZINDY-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1705809374 PKCBCFVKSYYYRN-HSZRJFAPSA-N 428.602 4.552 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705814228 HWJRTFKRJCCLGE-LJQANCHMSA-N 441.377 4.749 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN(CC(C)C)C1)C1CC1 1705853512 ANFSMHFCYYJXQK-HXUWFJFHSA-N 425.596 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1705870646 MLHXEAAEGRLVCD-KRWDZBQOSA-N 445.995 4.938 30 10 IJEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705888089 DYAKFOIBCSBMEI-LJQANCHMSA-N 438.576 4.520 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCc2nc(C)c(C)s2)c1 1707118595 AVQZGCLOWBAKMI-QGZVFWFLSA-N 438.601 4.528 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1722328331 SVMLZBZCSCSAML-FPOVZHCZSA-N 442.007 4.550 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C)CC1 1722493204 XEKWQBNIFXCASQ-DXIQSLLYSA-N 426.536 4.695 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)C/C(C)=C/c1ccccc1 1722505911 BELBSRUGKQYXAW-RJEBUIQKSA-N 443.595 4.785 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1Cc1cccs1 1722528065 FUEWNQXSWCEWHG-SFHVURJKSA-N 444.004 4.859 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 1722528673 MRQRADFBAFZRHY-UHFFFAOYSA-N 434.371 4.975 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ncc(CC)s2)CC1 1722560766 HYKZWVRQEMONFU-UHFFFAOYSA-N 431.512 4.770 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2cccs2)N(C)C)CC1 1722576366 MQCXTFUTQHMSQZ-OAQYLSRUSA-N 437.613 4.721 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3ccsc23)CC1 1722584873 ZKYJAZQKCSMCIK-KRWDZBQOSA-N 439.633 4.725 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722593668 YFJWCTMQSMVQMV-FCHUYYIVSA-N 429.653 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1nnc(C)s1 1722667317 DEYFITCSXNYKPM-UHFFFAOYSA-N 440.642 4.857 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[C@H](F)C1 1722676203 VMZWMEBGBGZNQQ-HKUYNNGSSA-N 439.491 4.820 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCC(C)C)C1CC1 1722694152 MRJVRDIZWNDCHJ-UHFFFAOYSA-N 441.645 4.593 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCc2cc(Br)ccc2C1 1722741453 LZBPMEKKHIOQRM-UHFFFAOYSA-N 435.435 4.721 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](c1ccco1)N(CC)CC 1740543411 OUICQOSEXMKGDO-KNQAVFIVSA-N 442.567 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H](OC)C(F)(F)F 1740557854 AQJGOBZIYCVKDF-XJKSGUPXSA-N 446.926 4.649 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](COCC)C1 1740568738 OEVNPVFIEXBUQB-LJQANCHMSA-N 426.630 4.942 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740595210 ACRYPEHYTOOXIM-UHFFFAOYSA-N 444.526 4.685 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCN1CCCC[C@H]1CC 1740676097 RCWUMARGWHHLDM-JOCHJYFZSA-N 425.596 4.619 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCc1ccc(Br)cc1 1740776098 PEMIMELJCFAXBT-UHFFFAOYSA-N 440.389 4.672 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@](C)(OC)CC1 1740806127 GVYDXEBQUQKLSG-IBGZPJMESA-N 439.785 4.856 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CCN(CC)CCC(F)(F)F)CC1 1740836096 YZASANBKDCOBPT-UHFFFAOYSA-N 435.538 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C(C)(C)C1 1740847706 QZWVTHHYMGUSHJ-SFHVURJKSA-N 448.615 4.667 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@@H]1CCCOC1 1740851668 AKJZEZLIMQALGD-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1740851883 FHWQYPHYFKDMIV-OAQYLSRUSA-N 437.588 4.587 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740865665 PYFCKWKDABOQQF-RTBURBONSA-N 430.980 4.730 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740870373 FUOHUXDJMABMED-FGZHOGPDSA-N 437.632 4.917 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCCCCC1 1740874912 KXSZFUJLPUGRDI-UHFFFAOYSA-N 434.588 4.973 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCc1csc(CC)n1 1740919344 COLVZHMOBQRSOG-UHFFFAOYSA-N 448.571 4.933 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCc2ccc(Cl)nc2C1 1740944058 SFZOFWURQVSXKS-UHFFFAOYSA-N 448.727 4.644 30 10 IJEE CCC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C#N)C2)CCC1 1744312488 CDNUKMHEXOBCIX-HXUWFJFHSA-N 437.588 4.598 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1744783007 FKZATVAENYDTSQ-HTAPYJJXSA-N 448.571 4.793 30 10 IJEE CCCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H](C)C#N)CC1 1745311282 DIEDXVQITSSPLC-MOPGFXCFSA-N 444.624 4.569 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCOC1CCCCC1 1748641997 LTOFQZSUQXOZJM-RTBURBONSA-N 428.552 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1ccco1)N(CC)CC 1748665829 VKBPAJNWHLCRQF-PGRDOPGGSA-N 430.556 4.560 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(SC)CC1 1748914023 DRKJYHJAOGIHQR-UHFFFAOYSA-N 439.810 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccccc1OC(F)(F)F 1749058694 OPCINUOVAGVWIU-OAQYLSRUSA-N 430.430 4.786 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)SC 1749079154 ZKNPFNKXIPLEAT-MHECFPHRSA-N 426.630 4.898 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)C 1749149168 UPOCHRCYBCVZOH-WMZHIEFXSA-N 442.604 4.816 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1749242920 WIAFUOHKEFGIFH-VQIMIIECSA-N 449.521 4.545 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N(CCC(F)(F)F)CC1CC1 1749271806 BMUFHSGYPJUAMC-UHFFFAOYSA-N 428.886 4.799 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(OC(C)C)nc2)CC1 1749312258 HLRKWRDSWJHOMZ-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCC[C@H]2C)CC1 1749312274 HUWPSJKGKYPALW-OAQYLSRUSA-N 437.632 4.795 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1749343724 QPLLXYQWVDRLNH-OAQYLSRUSA-N 435.547 4.663 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)C2CCCCC2)CC1 1749345541 LTOPHBCEWAKWIT-UHFFFAOYSA-N 442.677 4.691 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1749398886 VAYMONXAMLQRNV-KRWDZBQOSA-N 438.601 4.672 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H](C)CN1CCCCC1 1749550690 HECMDHOPQYFLGP-HXUWFJFHSA-N 436.629 4.716 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2sc(C)nc2C)C1 1749697445 KLKHTUWOTCZSIL-LEWJYISDSA-N 437.613 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC2CCCC2)nc1 1760115456 GSGDDFGRMJBJCS-SFHVURJKSA-N 449.986 4.745 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)CC(C)(C)C1 1760130381 JEGQRFGDEHIPKW-INIZCTEOSA-N 432.410 4.722 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOCC2(CC2)C1 1760141774 HJDQGRZQPSNSFC-UHFFFAOYSA-N 436.600 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCc1cccs1 1760411668 PWOPDOHXBLOLPJ-UHFFFAOYSA-N 441.601 4.739 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 1760434035 YGCBZPCVTVHUSG-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760434992 UHEWMDSCNMTCDG-QGZVFWFLSA-N 447.986 4.835 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nccs1 1760488368 SVVYMJKEJMWWAN-IEBWSBKVSA-N 443.642 4.956 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760560651 BCAVTPDGRXBYMC-LJQANCHMSA-N 445.589 4.556 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1761077496 AYPNBGKLLFKIEB-RBBKRZOGSA-N 448.615 4.667 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)CCCS2)cc1 1761863766 CQQNUCHGJBVSEP-JOCHJYFZSA-N 427.643 4.905 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCCCC1)NC(=O)OC(C)(C)C 1762343243 DDYYUXPOGLGINY-FQEVSTJZSA-N 438.576 4.500 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)C1 1766794328 AXBCMRFMDZJBQA-OAQYLSRUSA-N 436.560 4.511 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)C1CCN(Cc2ccccc2F)CC1 1861178042 DREHGXJSZUYRMM-DEOSSOPVSA-N 447.639 4.799 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C1CCN(Cc2cccc(F)c2)CC1 1861184410 LZFMANFWIMIEOM-DEOSSOPVSA-N 445.623 4.505 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1F 1862383844 XIUIMKYBPRTMFL-GOSISDBHSA-N 438.282 4.747 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2)ccc1F 1862507977 VXJRNEDVTIFSDD-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1C(=O)O)c1ccc2c(c1)CCCC2 1862546047 ONEYAEKGAWQCGG-QHCPKHFHSA-N 445.515 4.785 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(F)c2)cc1 1862555897 KQMMCGVIEUQNPR-IQMFZBJNSA-N 446.478 4.756 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862590973 SAYMCDPTDQFGAT-QFIPXVFZSA-N 433.529 4.837 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1 1862592167 WQXRVKGKGGCMJS-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862638235 XABSXSCFBZMURP-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862737428 WYYAMDUNJROGDJ-NRFANRHFSA-N 432.407 4.512 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccccc2OC)C1=O 1863767082 ZFDNAKCFIZLGOL-HXUWFJFHSA-N 442.600 4.684 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868291083 HNIQKCPZDMRKST-NRFANRHFSA-N 441.535 4.823 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3[C@@H](C)COC[C@@H]3C)n2)cc1 1868535526 QAIVCTUTBZIEHE-ROUUACIJSA-N 429.524 4.771 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CSc1ccccc1 1870210848 YUFKQBFEBRVODD-UHFFFAOYSA-N 434.561 4.961 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870812636 GIAJKHBORXGUMP-UHFFFAOYSA-N 439.600 4.831 30 10 IJEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccccc1C(C)C 1871117894 VIDXXCLWZGJPHZ-UHFFFAOYSA-N 427.589 4.808 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CO2 1871353410 PPJCQFNODKHSSA-RYFGWZLYSA-N 449.572 4.908 30 10 IJEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871371290 PBCPKMANQVECOM-OYKKKHCWSA-N 444.439 4.796 30 10 IJEE CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)OC(=C(C)C)C3=O)c1 1871425787 OWECGRSODCKACR-LJQANCHMSA-N 437.492 4.837 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871645057 HGDGDOKIWIDANN-UHFFFAOYSA-N 441.366 4.556 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(C(=O)OC(C)C)cc2)nc(N(CC=C)CC=C)n1 1871735849 VBRUJRLTSSYXLK-UHFFFAOYSA-N 448.571 4.537 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1871775577 DGQIIKJJPYNBTP-CVDCTZTESA-N 444.597 4.624 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871968827 MWTXEFMSMFADCX-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 1872136952 OHGDYCINEQHPAH-HSZRJFAPSA-N 444.597 4.850 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCCC 1872176049 AUYRGCURFISNHA-QFIPXVFZSA-N 438.634 4.981 30 10 IJEE CCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccc(CCCC)cc1 1872704784 XCBTZBVTEIGUNE-UHFFFAOYSA-N 430.549 4.520 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc2n1Cc1ccccc1 1873555371 VRSNDKYYPWKKJE-NHCUHLMSSA-N 443.595 4.776 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Br)c2)cc2c(N(C)CCCC)ncnc21 1873665648 PXMDFAVCUVYQFF-UHFFFAOYSA-N 442.361 4.868 30 10 IJEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc[nH]1 1874315634 BVVGOLWVJOXJLT-WGOQTCKBSA-N 435.528 4.931 30 10 IJEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccnc1 1874362366 ASQYDHNJDNXLCY-ZXVVBBHZSA-N 427.577 4.984 30 10 IJEE COc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 1874562847 VQBBQZFCOQDIAG-CVKSISIWSA-N 448.523 4.767 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccccc2)c1 1874601021 ONXAYCMFKKUIHD-ZRDIBKRKSA-N 435.907 4.940 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OCC(=O)Nc2ccccc2)c(OC)c1 1874610331 MWHBUECTKCREKF-BUHFOSPRSA-N 447.487 4.626 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Br)c1OCCCO 1874619476 CLNOBTCSUSXHIZ-BQYQJAHWSA-N 449.341 4.822 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 1875114361 QLJXGNLLAMTWJI-QLKAYGNNSA-N 433.416 4.727 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OC)c2)c1 1875147414 UHWLYSLIZUDPRP-RMKNXTFCSA-N 438.501 4.818 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(O)CC1)n2CC 1875201122 IJKIXALZCQLWFP-UHFFFAOYSA-N 429.609 4.601 30 10 IJEE Cc1cc(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)sc1Br 1879731494 AFONJMROUAMTSM-KZULUSFZSA-N 426.185 4.517 30 10 IJEE COc1ccccc1OCC#CCNC(=O)c1cccc(C(F)(F)F)c1C(F)(F)F 1890918356 AWLPKYZGXDVQIE-UHFFFAOYSA-N 431.332 4.545 30 10 IJEE COc1c(F)c(F)c(C(=O)N2CC[C@@H](Cc3ccc(C(F)(F)F)cc3)C2)c(F)c1F 1891970896 WABJVSIAYPRPFL-NSHDSACASA-N 435.339 4.975 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)c1cc(Br)ccc1F 1922075475 XDUKJMHLOAKSAV-FCHUYYIVSA-N 436.365 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CC(C(F)(F)F)C1 1922107450 MAHQAWTUDNCGGU-LVIWNVNYSA-N 442.522 4.973 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C2(C)C)cc1 2015049490 ALZWTHMEZVKHFZ-QHCPKHFHSA-N 431.533 4.728 30 10 IJEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1(Cl)CC1 2025839368 CZCHGPMJQIRNHI-AREMUKBSSA-N 439.047 4.654 30 10 IJEE CN(CCN(Cc1ccccc1)Cc1cc(F)cc(C#CCCO)c1)Cc1ccccc1 2034751238 MGHWKMJMYZDTAZ-UHFFFAOYSA-N 430.567 4.694 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Nc3cc(Br)cc(F)c3C#N)C[C@H]2C1 2163692757 QIWZKPRBXYHZDH-YDHLFZDLSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(Br)cc2C#N)C2(CCC2)C1 2174625289 AKHDWUKZKUTQAK-SFHVURJKSA-N 434.378 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(C#N)c(Br)c2F)CC12CCC2 2174811757 BYGDOQSPSZBACJ-AWEZNQCLSA-N 438.341 4.591 30 10 IJEE CCC1(C(=O)Nc2ccc(Br)c(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 2180958597 YNQXMAWXUJPILF-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CC1(C)CC[C@@H](Oc2cc(Br)cnc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2198815412 LWGPOYIAHIPGRF-XJKSGUPXSA-N 438.366 4.814 30 10 IJEE Brc1sc(C#CCCNC2CC2)c(Br)c1Br 2212249035 JPTSDCFQGIFWBA-UHFFFAOYSA-N 427.987 4.529 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239664404 KPIUSCBRRSIBFV-IEBWSBKVSA-N 439.394 4.805 30 10 IJEE C#CC[C@@H]1CCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2244546119 HDNBPFAUTWCZBU-XMERXJNXSA-N 444.575 4.954 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CCCC2)s1 2247930351 JNFBDQFOYYAZGY-UHFFFAOYSA-N 425.403 4.941 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(Cl)c(Br)n2)CN(C(=O)OC(C)(C)C)C1 2266233537 DBRBXZQRTOFCMF-UHFFFAOYSA-N 444.757 4.639 30 10 IJEE CC1(C)OB(c2sccc2C(=O)NCc2ccccc2OCc2ccccc2)OC1(C)C 2267480309 XWMZVNGWKAKMOZ-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)CC2CCCC2)cc1B1OC(C)(C)C(C)(C)O1 2281832038 IERWRIWIEUGPJW-UHFFFAOYSA-N 449.400 4.827 30 10 IJEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)c1ccc(Cl)s1 2281976552 CXRLUQZDVREFKB-SECBINFHSA-N 432.203 4.907 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccccc3)ccc2O1 2296114252 UBIABAWBMUVICY-MZNJEOGPSA-N 425.484 4.632 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(N)C#Cc1cccc(Br)c1 2296218955 JQSPZHWFCMTXCR-JBYIUTFZSA-N 433.390 4.554 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@]1(C)NC(=O)OC(C)(C)C 2296290775 HLJQUYQEHODPBW-NNMXDRDESA-N 435.406 4.862 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2305318527 DMICNEKONZUGJY-DCEDVJGZSA-N 428.573 4.555 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2306523221 SOAKELKLCZUCQE-NBGIEHNGSA-N 430.589 4.944 30 10 IJEE CCCOc1c(C=Nn2c(S)nnc2CCCOc2ccccc2C)cccc1OC 2322170854 OCQKVSLXEKNEKH-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCCO)c2ccccc12 2323009545 QPUAURHKQNELOA-UHFFFAOYSA-N 427.294 4.878 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1OC(=Cc1ccncc1)C2=O 2323302656 HLVIIFPVGHGEEL-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2323796061 UQXZWPYQGOYTGM-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE CCOc1c(OC)cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1[N+](=O)[O-] 2323866096 PTVOXWXTPRLKSA-UHFFFAOYSA-N 428.470 4.580 30 10 IJEE CCOC(=O)[C@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2ccc(C(C)C)cc2)C3=O)C1 2324058811 IPFYHIJYUVCTNU-FQEVSTJZSA-N 449.547 4.907 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OCC(=O)N(CC)CC 2324645688 ALBNSDIGFLSUMH-UHFFFAOYSA-N 439.552 4.854 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(OC)cc1OC)C2=O 2325044565 DTAFQFHKJUGOAW-UHFFFAOYSA-N 440.492 4.741 30 10 IJEE CCCC(=O)Oc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OC 2325683924 VTDBJVMOSOBXJX-UHFFFAOYSA-N 448.269 4.968 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(OC)c(OC)c1 2327082608 OURUQWWYMAVMJW-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(C(=O)OC)cc2)cc1 2327351947 MKHVIXQVCGBWLU-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2330649275 QKSHDCFODZKEKX-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 2330799820 HKTYTJMIQDBCRG-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccs1 2331046952 IVJDTJNDUJYCPM-UHFFFAOYSA-N 425.583 4.919 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331069603 YPLPHLPQFWIYRH-HXUWFJFHSA-N 430.884 4.728 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2331163035 NGUFTWWRJUDGJP-RUZDIDTESA-N 432.564 4.764 30 10 IJEE CCCCc1nnc(SCC(=O)N(CC)CC)n1N=Cc1c(Cl)cccc1Cl 2331318212 HOKUWSSYIHLNRZ-UHFFFAOYSA-N 442.416 4.770 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)(C)C)c1 2331376611 YEFXAHQUEOYMTA-UHFFFAOYSA-N 437.569 4.506 30 10 IJEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1[N+](=O)[O-] 2331690080 HLXFTCHRUTWKMS-UHFFFAOYSA-N 433.844 4.867 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339588063 CNFJAVCMPONHPQ-IBGZPJMESA-N 444.381 4.895 30 10 IJEE C[C@H](Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)c1cscc1Br 2364752851 CAARZJBVAVOJAI-LBPRGKRZSA-N 433.180 4.855 30 10 IJEE C=CCN(C[C@H](CCc1ccc(OC)cc1Br)NCC)C(=O)OC(C)(C)C 2364847874 CXYLNQNWPHYZEB-KRWDZBQOSA-N 441.410 4.792 30 10 IJEE O=C(/C(=N/Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1cccs1 4712310 WLRSSXQTQRTADL-UZYVYHOESA-N 449.351 4.593 30 10 IJEE N#Cc1ccc(OCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)cc1 9561723 QLFZWAUCSFNVLC-ABPFDORLSA-N 427.460 4.946 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 14092534 DDPCGJFBAYVNRM-UHFFFAOYSA-N 446.498 4.999 30 10 IJEE CCOc1cc(CN(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1OC(F)F 26455890 FMPJZQTWXLGGDB-CYBMUJFWSA-N 449.523 4.568 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(O)c1 40077125 ONEIZKKFARZQRO-SFHVURJKSA-N 430.298 4.533 30 10 IJEE CCOc1ccc(C(=O)/N=C(\NCc2ccccn2)Nc2ccc(OC)c(Cl)c2)cc1 46126220 KWJYRGSZHNSTGD-UHFFFAOYSA-N 438.915 4.540 30 10 IJEE CCN(CC)CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 103105865 PZXHRQKXKSZXBQ-QQYUXEJHSA-N 434.580 4.964 30 10 IJEE COc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1OCc1ccccc1Cl 169936686 KATSSKAYKQUVCF-NRFANRHFSA-N 430.957 4.652 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1Cc1cccs1 169939836 YHCNGRBJVVXFFB-GOSISDBHSA-N 440.546 4.609 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2ccccn2)cc1 169994801 VIORJIGQTULHMT-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccn2)ccc1F 169999042 FFVKENMNELBCNB-HXUWFJFHSA-N 445.475 4.922 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170058054 QKERAOPTEHIIKS-IIBYNOLFSA-N 436.895 4.579 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2F)cc1 170069394 DLMPDORISSYION-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)c(C)c1 170133322 RSNQTIXPFCZILA-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccnc2)c1 170187550 HFDTWNAWCBOFJZ-XMMPIXPASA-N 440.499 4.806 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccncc2)c(C)c1 170205678 BERDCOUSVHLKEY-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1 170231823 SNPXLMJVBFDINC-HXUWFJFHSA-N 425.868 4.701 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)ccc1Cl 170274294 XROZINUNVDBQRQ-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C)o2)cc1C(C)(C)C 170298241 NKEYOYQDPUCZMO-NRFANRHFSA-N 441.524 4.509 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170422366 RJZCHBIBKGGZML-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(O)\C=C\c1ccccc1 254617910 XRKZTMHVSPJICB-HLTAIYGESA-N 426.428 4.777 30 10 IJEE CCOc1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1O 263630287 ATBWANLVTLIXNV-UHFFFAOYSA-N 441.495 4.909 30 10 IJEE N#Cc1cc(Br)cnc1Nc1ccc(Br)cc1Br 311222059 VINOXSSXHKSVSI-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE COc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CS 382702818 PTNRGGDKXOZXQC-QAPCUYQASA-N 436.371 4.740 30 10 IJEE CC1(C)OB(CCC[C@@H](N)c2cc(Br)cc(Br)c2O)OC1(C)C 383832568 REXDTNIWJIRVJI-CYBMUJFWSA-N 448.992 4.789 30 10 IJEE C=CCCc1ccccc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 410386308 UBQLLESTLGGSGF-UHFFFAOYSA-N 427.426 4.931 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H]1c1nc2ccccc2s1 433952694 GZRZVLHIKNCTOM-FXAWDEMLSA-N 434.565 4.777 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 443824190 FPMJARVWJWKCSG-UHFFFAOYSA-N 438.487 4.819 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508828689 WDEDUJCOCNXCOH-UHFFFAOYSA-N 445.970 4.589 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 526486626 PWIFGXZACOAQDW-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1ccc([C@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607245 OJOUGSAQCJWYRW-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)c1 526659698 YKLGXVOCCDQABB-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OCC)c([N+](=O)[O-])c1 526799130 BWJMFKKGJSTJML-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE C=CCn1c(SCc2nnc(C)n2C2CC2)nc2scc(-c3ccccc3)c2c1=O 540348357 YURWIFFXGKGIOL-UHFFFAOYSA-N 435.578 4.838 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 549326794 SXYKKZHLJCTJGV-UHFFFAOYSA-N 436.629 4.876 30 10 IJEE C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1cnccn1 555253597 MMQMLBCLDNCTCY-UHFFFAOYSA-N 426.524 4.527 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 562027536 KXPZPACMVZQZBI-GOTSBHOMSA-N 445.523 4.787 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 586090537 ASVCYWIYVXQNJQ-AWPKPLDOSA-N 449.595 4.907 30 10 IJEE N#Cc1c(F)cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 687754162 NAVFEMCEIKJKHD-QHCPKHFHSA-N 448.425 4.891 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1 790278525 APPJVOLWQVKECL-FQEVSTJZSA-N 441.528 4.761 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccccc2C)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084266723 JMAQJNXVUBIOIC-UHFFFAOYSA-N 438.601 4.848 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084339660 TXJQCEJRRYNGEB-UHFFFAOYSA-N 442.564 4.679 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 1124533591 DKNGWCHIPQMQDG-ZWKOTPCHSA-N 445.309 4.682 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)c(OC)c1 1124977884 FFOJZNZYRVPAQQ-UHFFFAOYSA-N 440.540 4.808 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1126567383 BIVUHKDPQJLDBT-FNZWTVRRSA-N 425.532 4.991 30 10 IJEE Cc1cc(C)c(NC(=O)COc2ccc(C#N)c(Br)c2)c(Br)c1 1127003069 CJWDRCFCBFETKI-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE CCn1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)nc2cc(C#N)ccc21 1127748532 FQRCNIHAUJIOEG-NSHDSACASA-N 447.720 4.750 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)cc1 1128940923 RWDDXEBCBKJMGX-FQEVSTJZSA-N 438.877 4.707 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F 1131151362 BUVZLYTVKRUDRL-NSHDSACASA-N 426.257 4.792 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1 1166517748 FXQPHDRDJVLSDJ-JPYJTQIMSA-N 442.581 4.751 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)C1 1222481544 MTJWOQUDFFJCIW-UZUQRXQVSA-N 426.944 4.892 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 1223549465 YOSHVBULKNGNIT-QHCPKHFHSA-N 427.976 4.883 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1228700919 BGVKZSWFHPTAAX-PDGJWGCVSA-N 449.636 4.615 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C1CC1)[C@H](C)c1ccccc1 1272029529 FEJNERDDLHEGAM-OAHLLOKOSA-N 443.341 4.850 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(C)(C)C=C)ccc1Cl 1272463132 NXKUHWZXKWHABM-UHFFFAOYSA-N 432.973 4.663 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1286314968 AODKJZTVWHHTFM-WIYYLYMNSA-N 430.593 4.939 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](COCC)C1 1286318382 NPGISSUIHZWQMP-GOSISDBHSA-N 445.405 4.764 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCSCC(F)(F)F 1286454612 LRFGNNSKXDTFJY-UHFFFAOYSA-N 428.499 4.650 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1286644273 PNTAHJFNNFONOF-OYRHEFFESA-N 425.596 4.999 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1286657051 ZLEHTMUOSQDLFP-QFIPXVFZSA-N 428.989 4.970 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N(C)C)CCCCC1)C1CC1 1286739236 UNNHHUBMMMUWSZ-NHCUHLMSSA-N 429.653 4.616 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCCC1 1286743554 KZWZHXULBIULBF-OAQYLSRUSA-N 430.600 4.573 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CCN1CCCC(C)(C)C1 1286759607 DPPDADCVZYUUCA-UHFFFAOYSA-N 444.627 4.697 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC1(SC)CCOCC1 1286766676 VIMAGNSCZUZUTB-UHFFFAOYSA-N 432.634 4.607 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1286771759 OSSJRBSUOQCXTK-UHFFFAOYSA-N 449.773 4.813 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H]2C(C)C)s1 1289636950 IEDMLGBJTUTHCR-IFMALSPDSA-N 435.597 4.884 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1291413191 IBDFQWYJVBXHGD-CYFREDJKSA-N 442.567 4.567 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 1296939645 NMRLKDJSHSVXMM-CYBMUJFWSA-N 440.821 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCCN1CCCC 1300292013 HWJMEUDUZQSSOH-IFMALSPDSA-N 430.600 4.606 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1300358362 RFANENGUGHDZIC-UHFFFAOYSA-N 428.584 4.689 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)COCC 1300800879 BDACMUGQHFNEKI-RUZDIDTESA-N 433.556 4.655 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCC(C)(COC)CC1 1301054948 CCXIVLOHYVDYOC-UHFFFAOYSA-N 437.009 4.584 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1301114277 MWOISQMVRUHVIZ-CTNGQTDRSA-N 429.996 4.847 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301149068 WBEPAGNPVZMWIW-NHCUHLMSSA-N 428.552 4.839 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1301208092 NSXSLOMUVXWOKI-UHFFFAOYSA-N 427.902 4.639 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCOc1cccc(F)c1 1301277789 AFXXBJHLPZPRSW-UHFFFAOYSA-N 437.338 4.609 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCCC1(C)C)C1CC1 1301313461 AJIMENHNHYQQLV-MZNJEOGPSA-N 428.552 4.653 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCN1CCC 1301349580 PZRCRWMEHNQODD-BJKOFHAPSA-N 437.632 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccccc1Cl 1301394206 KZJZVKXNDMPBPB-UHFFFAOYSA-N 432.959 4.591 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1306285095 AZEATOPHDYBNRE-JCTONOIOSA-N 434.632 4.810 30 10 IJEE N#Cc1c(NC(=O)CN2CCc3ccc(Br)cc3C2)sc2c1CCCCC2 1307766539 BUVMYDHVJNEZKD-UHFFFAOYSA-N 444.398 4.648 30 10 IJEE C#C[C@H](NCc1ccc(F)cc1I)c1ccc(Br)cc1 1308784496 KMFTUCATSHTYKE-INIZCTEOSA-N 444.085 4.657 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)ccc1OC(F)(F)F)c1ccc(F)cc1 1310911485 HYMOQJYUKSJAEF-ZDUSSCGKSA-N 431.183 4.983 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1312534512 FRRXBHJCOALTOP-NVVBAYIOSA-N 435.515 4.671 30 10 IJEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OC2CCCC2)c1 1350184060 QIJWMAIPJAAVCU-UHFFFAOYSA-N 449.956 4.829 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N=c2ccccn2Cc2ccccc2)s1 1353697205 AIZHDUYPBDHCLF-UHFFFAOYSA-N 429.998 4.816 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC2CCCC2)cc1 1354565632 SVYZCNBHRJNUCJ-UHFFFAOYSA-N 448.972 4.720 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCn1cc(Cl)cn1 1358875162 KCDNTKGPVUEHAO-CYBMUJFWSA-N 445.379 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCCS1 1358879562 UMRGJSDXTXWTQI-QRWLVFNGSA-N 433.419 4.760 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1358906982 ZLZFEABTJGMQFZ-XMMPIXPASA-N 446.542 4.991 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1358923766 AERIHKPNYYBGFH-UHFFFAOYSA-N 434.975 4.644 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCOC(C)(C)[C@@H]1C 1359051052 KPUFACYWVKQPNT-SJORKVTESA-N 444.670 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(OCCC(C)C)CC1 1359096595 DUXRKOJWIJYADN-FYYLOGMGSA-N 430.637 4.948 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1359174871 SDRINXRBNXCPDC-ICSRJNTNSA-N 432.515 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCSC2(CCOCC2)C1 1359189497 MGRZHETUMLHOFK-UHFFFAOYSA-N 444.620 4.713 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1359255307 UPBZDIDNGJIBSR-REWPJTCUSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1nccs1 1359255852 MPYBCVNLDHETLB-GOSISDBHSA-N 441.564 4.665 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1359258714 ZUHZPCBMKWELIO-LJQANCHMSA-N 439.604 4.899 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1cccc(C(F)(F)F)n1 1359269945 VMDSCPJHGJICOL-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C)nc1 1359276603 JSXINLNWPRGFAY-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CC[C@]1(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1361189582 IGTBBMVLHGNMPN-HFZDXXHNSA-N 441.616 4.686 30 10 IJEE C=CCC1(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)cs2)CCC1 1434906975 NGCAAOSYDFOJLF-UHFFFAOYSA-N 433.599 4.526 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(Br)cc(I)c1 1437612674 AWSCQEBGCJEJSB-NHYWBVRUSA-N 448.142 4.918 30 10 IJEE C[C@@H](c1ccccc1)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccccn1 1438647737 DTOIAHMGAPDFPT-PXNSSMCTSA-N 444.922 4.754 30 10 IJEE C=CCC1(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCOCC1 1446533389 ZIIXZPRBHMUDMC-XMMPIXPASA-N 438.999 4.947 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1447761551 YQGGXIVIKQYMCL-QFIPXVFZSA-N 440.540 4.798 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN3Cc3ccc(Cl)cc3)s2)cc1 1457501454 CFGPOBIRJQMZQN-OAQYLSRUSA-N 436.968 4.862 30 10 IJEE C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1458889946 XWLJSPOFBVPPKT-CMQXMCPJSA-N 428.319 4.580 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1)c1ccccc1 1464374955 GKLGOGUXYHSVNR-NZQKXSOJSA-N 430.552 4.692 30 10 IJEE C[C@@H](CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)N(C)C(=O)OC(C)(C)C 1465012888 ACOPHIAEVWEQSS-INIZCTEOSA-N 441.503 4.865 30 10 IJEE COc1ccccc1[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N1CCCCC1 1468110717 AZUMITUCFXJFHP-VWLOTQADSA-N 444.579 4.593 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)C1 1469919583 COAUTZRWKRHLIG-IBGZPJMESA-N 442.581 4.623 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C 1470156270 MWWPVNBDJIBQMX-ZWKOTPCHSA-N 440.943 4.540 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1F 1475995103 KPWXQVNERHIUKK-NRFANRHFSA-N 427.907 4.991 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)CC1(C)OCCO1 1476017015 CFKRTIHVOLQIGG-HNNXBMFYSA-N 429.904 4.915 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 1476041256 ARZUPMCDWHCHMR-DEOSSOPVSA-N 445.563 4.886 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 1476110699 GAEAXMBVWZFHGC-UHFFFAOYSA-N 426.520 4.928 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 1476408539 BASLHUZPPWCYPB-CQSZACIVSA-N 435.293 4.684 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H]3CCCCCN3C(=O)OC(C)(C)C)cc2n1 1477121888 GKCUTWKFWOLZSL-LJQANCHMSA-N 427.549 4.524 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1497702516 BCZOKNLSFDEVGJ-UHFFFAOYSA-N 429.515 4.791 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC)CCC 1507745316 ATIWDWLRVAJEDZ-UHFFFAOYSA-N 425.627 4.980 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCCCC1 1507756366 IJNSVLWZKIUSMW-UHFFFAOYSA-N 426.630 4.901 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507930849 JNDRLZDZAYALNG-RBUKOAKNSA-N 442.608 4.759 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cc(C)on1 1507959391 PNDFJAFTKMPKCJ-UHFFFAOYSA-N 436.343 4.777 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1507965968 SWLQEELJRKFIPL-OAQYLSRUSA-N 441.576 4.707 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C(C)(C)C)cs1 1507973276 XXSWTSQSEBERFC-UHFFFAOYSA-N 433.528 4.971 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1507989403 BPZJOZKQYGEGSA-QGZVFWFLSA-N 425.577 4.576 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCN(C)C(=O)OC(C)(C)C 1508005095 NXDKWMFCPLOIRY-UHFFFAOYSA-N 431.556 4.600 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C(C)(C)C 1508029013 XFLYVLGGULHNBQ-IBGZPJMESA-N 443.979 4.883 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)c1c(C)noc1C 1513216065 CLBSQIQUYBYRJP-MYRUOYEDSA-N 436.535 4.671 30 10 IJEE C=CCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(C(F)(F)F)cc1 1519589481 AXJOGKGXHWMEFL-IBGZPJMESA-N 445.416 4.828 30 10 IJEE Cc1ccccc1-c1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1524975182 FXLMQROCWSFWCB-OAHLLOKOSA-N 436.924 4.635 30 10 IJEE N#Cc1sc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)nc1Cl 1525675757 BNMLXKOBOBAOFS-UHFFFAOYSA-N 425.926 4.860 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CCCN1C(=O)OC(C)(C)C 1526921606 XEOVUMDKAJCGKN-XHNVNVPESA-N 443.588 4.585 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1ccc(Br)cc1 1528081496 OBNSQGZDFXIHJW-GOSISDBHSA-N 438.325 4.901 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(Br)c(Br)c1)c1ccc(Cl)cc1F 1528524139 VXYUOUCXASGACJ-CYBMUJFWSA-N 446.501 4.503 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)c1ccc(F)c(F)c1 1529492467 QGIXAPKEYMMEIK-AUSIDOKSSA-N 426.507 4.867 30 10 IJEE CC(C)CCOc1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)c(F)c1 1530730865 FPOWASSGKVMNOT-UHFFFAOYSA-N 435.293 4.902 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCC[C@@H]3c3ccccc3C(F)(F)F)C2)c(F)c1 1534016627 DRNVXPMWFAMQLM-CDXJDZJCSA-N 445.460 4.995 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)c2cc(Br)ccc2oc1=O)c1ccc(Cl)cc1 1535468456 QIRQCGHIWMKYEH-MRXNPFEDSA-N 430.685 4.622 30 10 IJEE COC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 1536385095 GGQCIPDCQKZKCN-LJQANCHMSA-N 446.890 4.996 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 1537096369 JLDJGEXZMIZWBL-HKUYNNGSSA-N 432.486 4.911 30 10 IJEE CC(C)C(=O)N1CCC(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1537445164 HQDIAWTXEWAUDP-UHFFFAOYSA-N 442.375 4.809 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)C(C)(C)C)cc1 1539006796 RFAJJPOKLFVDDW-GOSISDBHSA-N 447.572 4.770 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1CSC 1539052131 MUUFXSUKGTYCCP-AWEZNQCLSA-N 439.448 4.904 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H]1CCO[C@@H](C)C1 1539154642 QRPBQYIGRGNQEY-RBBKRZOGSA-N 431.584 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)CC1CCOCC1 1539616136 OTVKGXOXIDCIGP-SMIHKQSGSA-N 438.616 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1cccc(NC(=O)CC(C)C)c1 1539659697 IWDAPHTXVYQUFN-UHFFFAOYSA-N 434.588 4.719 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1539875304 VZBMAJRJGCLYEP-RDGATRHJSA-N 439.673 4.660 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1539875797 WRFPWCBHTGULSL-UYAOXDASSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCN2CCC)CC1 1539891788 KXBKSCRAOGTJPO-JOCHJYFZSA-N 425.596 4.675 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)CN2CCCC2)CC1 1539897552 GLRCHSMRAAFRKP-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1539990856 SYASAQLUPHFHPQ-VQTJNVASSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCCCCC1 1540019688 LSGFVMGCLMJAFO-UHFFFAOYSA-N 425.577 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@](C)(CC)O1 1540146582 HTIBCEXKVKGPFG-YKSBVNFPSA-N 437.613 4.866 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 1540283682 UOVJGNJDVCFPLX-UHFFFAOYSA-N 431.989 4.728 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21 1540301193 DCPADJZWDXLRTB-PGRDOPGGSA-N 433.426 4.683 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CN(C(=O)OC(C)(C)C)C1 1540582369 LIQBEDKIQFCORW-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 1540674610 ZVTAELPPNKCRIG-DEOSSOPVSA-N 439.519 4.940 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 1543361019 PVEYPPHHAMKMEG-KRWDZBQOSA-N 437.968 4.954 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 1563967265 KYWNHNPEGGBHON-NRFANRHFSA-N 435.524 4.838 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(F)c(C)c1)[C@@H]1CCCO1 1564603949 VMNADRMTOPORMM-RTWAWAEBSA-N 430.907 4.902 30 10 IJEE C#CCN(CC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1)C(=O)OC(C)(C)C 1566412274 LKBQFMJFIATKGH-NRFANRHFSA-N 430.907 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](CC)N1CCCC1 1587586123 JYZAURCPZKTJPR-ICSRJNTNSA-N 425.646 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(OC)CCCCC1 1587600212 VWXFFNGWWLSFJN-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCC1(C)C 1588445658 PTTKHUWQSAYNEP-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC[C@H]1C 1588580972 BGOZDQRIPFNAMY-NQIIRXRSSA-N 449.624 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1occc1C 1589151118 RNBCSYSEWVHUQP-KBMIEXCESA-N 434.540 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSCC1 1589493125 GEHDCLLGSDEODP-HLIPFELVSA-N 449.020 4.606 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1594209463 XFWQIAOWWLDCHQ-VQIMIIECSA-N 445.405 4.783 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2(COC)CCCC2)CC1 1594430504 NHGUEQNMJLWDBD-UHFFFAOYSA-N 442.579 4.996 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1594720310 ITGICWBKWXNGDV-UHFFFAOYSA-N 445.493 4.672 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1nc(C(F)(F)F)cs1 1594923901 XHKJBYRLVJMHQW-UHFFFAOYSA-N 430.459 4.639 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)SC 1595134075 RINOQHQHXYDBJF-OAHLLOKOSA-N 431.606 4.717 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(Sc3ccccc3)CC2)C1 1595728732 DCRIRZAMHYPXOM-LJQANCHMSA-N 426.630 4.973 30 10 IJEE C#CCN(C(=O)c1sc(C2CCCCC2)nc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1596147584 WURYHACAJBJNNO-UHFFFAOYSA-N 445.629 4.974 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1596960627 DZQBPZWXOJYOIO-CZGNIMDHSA-N 430.976 4.946 30 10 IJEE CCOC(=O)c1sc(-c2cnc(Cl)nc2-c2ccc(C#N)cc2)nc1C(F)(F)F 1614701763 HROOMAXYCGYRBK-UHFFFAOYSA-N 438.818 4.988 30 10 IJEE C#CCN(C(=O)CC[C@H](O)CCCCCC)[C@H]1CCOc2ccc(Br)cc21 1617600529 LKTWHHALJMFQLW-QUCCMNQESA-N 436.390 4.846 30 10 IJEE COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 1617900689 FAYRCOBTIVDLSW-GJZUVCINSA-N 426.560 4.896 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc2c1OCCCO2)c1ccc(C(F)(F)F)cc1 1621949024 BEWABMGOQSFJAX-KRWDZBQOSA-N 441.471 4.853 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccn2cc(C(F)(F)F)nc2c1 1624334980 FWYYMSHQCCSQPJ-UHFFFAOYSA-N 437.381 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 1624625074 WFLNTJDKOJYYRI-AFAVFJNCSA-N 430.763 4.860 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)OCC 1625185004 YPFCAYDJFZXERL-KRWDZBQOSA-N 432.860 4.668 30 10 IJEE C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(OCc2cccnc2)cc1 1628696634 FYSCIWMSYMLWIR-BVZFJXPGSA-N 426.520 4.970 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 1631052857 YAPBDMOJFGTKDU-FUHWJXTLSA-N 438.952 4.527 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC)c1ccc(F)cc1 1636547718 GWUJLHPSVWRGFK-RTBURBONSA-N 431.305 4.818 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1639016041 KYKYKWHGUSUVJI-JOCHJYFZSA-N 429.605 4.854 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCC1(C)C 1639766147 AHYMCPQYEZWITP-NRFANRHFSA-N 430.545 4.833 30 10 IJEE CCOC(=O)c1sc2nc(C)nc(Oc3cc(Br)ccc3C#N)c2c1C 1640001247 ACUQOECYYMAIAS-UHFFFAOYSA-N 432.299 4.911 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1nc(C)c(Br)s1 1640963985 NYPAVVJZAAKKAC-UHFFFAOYSA-N 437.388 4.863 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 1650669708 BRDURHHXULZKSB-GOSISDBHSA-N 436.622 4.563 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(C)OCCc3ccccc32)cc1OC 1651476354 DTURFVLRMSDAAB-QFIPXVFZSA-N 432.358 4.600 30 10 IJEE C[C@@H]1CN(CCOc2ccc(CCNc3c(Br)cccc3C#N)cc2)C[C@H]1C 1651694965 BSYUERYEVYQFIM-QZTJIDSGSA-N 442.401 4.942 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CCCN(c2ccc(F)cc2C)C1 1655638536 UVXUTQAFMSOSMM-FQEVSTJZSA-N 431.349 4.667 30 10 IJEE C=CCC[C@H]1CCCN1Cc1nc(O)c2cc(Br)cc(Br)c2n1 1655794129 IMIIYAKQBNZOKO-LBPRGKRZSA-N 441.167 4.791 30 10 IJEE C=CCn1c(SCCN2C[C@@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CCCCC3 1655979737 VBKMUXSYXZQKLS-CALCHBBNSA-N 431.671 4.983 30 10 IJEE CCCc1c(NC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cnn1-c1cccc(C#N)c1 1660854174 HRFRVFDPXCLLGK-HXUWFJFHSA-N 449.477 4.708 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1661685768 HMHNWTSQTHDYGM-NSHDSACASA-N 436.377 4.978 30 10 IJEE C#Cc1cccc(NC(=O)NCCOc2ccc(Br)cc2C(F)(F)F)c1 1666472910 BZKDXYWZEBJWQL-UHFFFAOYSA-N 427.220 4.650 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCC(F)(F)c3ccc(Cl)cc3)n2)c(Cl)c1 1670162570 ADQDUFZIVUFUPQ-UHFFFAOYSA-N 436.249 4.964 30 10 IJEE CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NCc1cccs1 1673789635 GZIPUTDOHOHUQK-HXUWFJFHSA-N 434.521 4.629 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(ccc(OC)c2OC)[C@@H]1CC)c1ccc(Cl)cc1F 1674036002 ITKADQRQXYOUJG-PMACEKPBSA-N 430.907 4.890 30 10 IJEE C=C(C)c1cccc(NC(=O)N(C)Cc2cn(-c3cccc(Br)c3)nn2)c1 1674976178 REUBUOXKLGNLGB-UHFFFAOYSA-N 426.318 4.727 30 10 IJEE C#C[C@H](NC(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1683689359 OSTWPXMNAGSIPD-IBGZPJMESA-N 439.959 4.880 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CCCC1(C)C 1683800638 VSDKVIGDFISPLU-UGKGYDQZSA-N 426.605 4.780 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1686425405 BHIIJQCIUAMJHS-FQEVSTJZSA-N 448.350 4.871 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)c1ccc(Cl)cc1F 1686922814 QSDJDGOOWXEETP-SJLPKXTDSA-N 436.712 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@H]1CCCCO1 1689833853 RJQKYFKPSKWSND-DOTOQJQBSA-N 449.368 4.654 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1689884479 XAJHJZNYMRPDIY-QFIPXVFZSA-N 437.607 4.836 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCCN1CCCC 1689951196 OEMKIEZFCBMTAT-TZIWHRDSSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)C(C)(C)C 1690065071 JUQDVVXLLAXNHX-SFHVURJKSA-N 433.394 4.537 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](SC)C1 1690157769 OVSCHOKTMQMNMW-XLIONFOSSA-N 448.633 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@H]1C 1690192849 FGNLRYLJSCDTAC-RQNQAMLKSA-N 435.616 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccco1 1690240272 DAYIQFDFVRSEKS-SYNHAJSKSA-N 427.936 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@@H](C)C1 1690250600 JIRPBBBFQJKONF-KJWPAHLWSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCNC(=O)C1CCC1 1690257482 KYZUWYXBYNTSNT-UHFFFAOYSA-N 446.599 4.511 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(Cl)=C(Cl)C1 1690341182 IIWCSSPUHJMDKX-UHFFFAOYSA-N 435.746 4.783 30 10 IJEE CCc1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H](C)c2nccs2)s1 1694565708 HUZAHMKCGDFHRH-HNNXBMFYSA-N 449.609 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C(C)C)cs1 1705480341 QQOWJAFVHORAFT-CQSZACIVSA-N 444.402 4.794 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCO[C@@H]1C(C)C 1705619039 FCVHCVTYEVLTIX-ZJSXRUAMSA-N 447.558 4.570 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)CC)C1CC1 1705854074 IGNZUFDCEHBROH-UHFFFAOYSA-N 431.625 4.984 30 10 IJEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1CCC(C(F)(F)F)CC1 1707904630 FKFTTZOKNQCYQZ-UHFFFAOYSA-N 446.521 4.544 30 10 IJEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1708036668 DDAJWKWELPCSMY-KSFYIVLOSA-N 447.505 4.537 30 10 IJEE CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1708794085 HXXOXDBQNNQXND-UGKGYDQZSA-N 441.551 4.646 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722309495 BDUVFZQGNLPWQC-SFHVURJKSA-N 440.588 4.647 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](CC)C1 1722311286 UQXLAMVCGABUGE-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCC)C1 1722320891 NTUVNCCTSKKVBG-QHCPKHFHSA-N 438.616 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@](C)(O)CCC(C)C 1722497978 KDHTXUBENIJHCM-FTJBHMTQSA-N 438.616 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(OCC(F)(F)F)cc1 1722515799 YXZPNFMMGQWCPA-UHFFFAOYSA-N 445.489 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)c1cccc(F)c1 1722516865 HBPGWOSBDPNICF-RXVVDRJESA-N 430.568 4.521 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1722520020 QGEBJJWRJKVABD-XMSQKQJNSA-N 440.519 4.912 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722586236 XOJDHAXKSFLYDJ-AEFFLSMTSA-N 443.592 4.798 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)(C)C)CC1 1722598190 ZLOUAVCNPPFXNZ-UHFFFAOYSA-N 449.441 4.703 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1snnc1C 1722631086 CJBVDDQQELGTNJ-OAHLLOKOSA-N 432.981 4.519 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCO[C@H]2C(C)C)c1C 1724057998 DQUJPILJFMFJBD-LPOZWGFCSA-N 439.604 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1740560594 MAHSWAXFCQSDJB-GREBRCKQSA-N 425.646 4.613 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740582958 SSWCIDMZYDFUDB-VQTJNVASSA-N 443.389 4.577 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@H](SCC)C1 1740594292 HSFIUEMCAHRPBA-QFIPXVFZSA-N 426.630 4.597 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1cc(Cl)ccn1 1740711629 PYLVHAPJNBTKJF-UHFFFAOYSA-N 437.956 4.743 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1csc(CC)n1 1740712443 INSJDTCIOVABMC-UHFFFAOYSA-N 432.018 4.620 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCCN2CCC)CC1 1740841923 GGLVXTSRBVRZME-QHCPKHFHSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740846958 RWQWMKYHKSEMJP-ICSRJNTNSA-N 439.604 4.897 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740895687 QJKQTEPEFFVSBD-INIZCTEOSA-N 431.968 4.620 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCCOC1 1740996438 BXKMGRFJOYUFGF-ZWKOTPCHSA-N 446.686 4.913 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)CC1 1740997698 AORRFKNSVBSWSW-UHFFFAOYSA-N 443.361 4.862 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@H]2CC)o1 1745324262 FLOOCTYTMVMJNJ-YLJYHZDGSA-N 448.571 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1748654531 JNNHJENXCILYIX-LJQANCHMSA-N 449.002 4.736 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1748703367 OKTFVCCEZNNSFG-UFYCRDLUSA-N 439.673 4.854 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1748739262 BVCPAUVTGLPSJY-UHFFFAOYSA-N 447.627 4.637 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H](C)c1ccco1 1749023779 WJFMQYVTSXXTLM-IRXDYDNUSA-N 428.533 4.714 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2CCCC[C@@H]2C1 1749391781 SQJKLKXRDFZSFJ-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C 1749529855 NDEOWIJCTFGTFA-VXKWHMMOSA-N 442.604 4.782 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1760137492 SEGWPIDWFUMCMA-LJQANCHMSA-N 435.572 4.893 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@](C)(O)c1ccccc1 1760173957 ZUDUMOKGHXKHLC-RUZDIDTESA-N 434.609 4.643 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc(C(C)C)cs1 1760223725 JUNVLPMTZMRFRD-UHFFFAOYSA-N 447.608 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCCC1(C)C 1760298026 SMBKDNGOEKPISX-JWQCQUIFSA-N 438.641 4.812 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(CCOC)Cc1ccc(C)o1 1760342863 YCDRQJXYVQWSGT-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760352845 ZHQXAQMLTGMOSL-AVRDEDQJSA-N 439.604 4.755 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCCCC2)nc1 1768598598 FLYWSYNCQPEMHX-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CCSC)CCC(C)CC1 1769762045 FLNMKDSZUOFUJK-SZTYLXMGSA-N 441.645 4.990 30 10 IJEE CCOc1ccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)cc1 1858908069 DAQUOHPEEJCXIA-XNTDXEJSSA-N 441.487 4.897 30 10 IJEE CCOc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860463458 ARCMLGJLJFHXQY-UHFFFAOYSA-N 440.912 4.504 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1 1860826620 GMJDZMBMAPZCMP-LBPRGKRZSA-N 440.912 4.502 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1OC 1862569877 WXCGUDLRGWYGTJ-OAQYLSRUSA-N 443.927 4.982 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(F)cccc2Cl)cc1OC 1862573468 CZPVGCLQRWBVRC-FQEVSTJZSA-N 447.890 4.731 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2C)cc1 1862589592 OGFAEBZMZHSKCY-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862602493 DDAKOMAWLDOEBV-QHCPKHFHSA-N 429.472 4.569 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC)cc1OC 1862657830 KHMBUFSVVDVKKU-HSZRJFAPSA-N 431.488 4.845 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862688086 RUWAHYDFBHUFSC-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c1 1862703280 SPFDSOOIJOBZAG-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1ccc(F)cc1 1862746197 APELRISTTKQDIJ-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2ccc(Cl)cc2C)C1=O 1863057699 BBDMRXJLHHWOGI-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1 1866716168 QHLJYLDXFSCHMQ-YWZLYKJASA-N 429.973 4.582 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(C)C 1868717724 GULRLLPEXAUOFZ-ZCYQVOJMSA-N 440.534 4.828 30 10 IJEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870111625 WJRIMOUEUHWKBK-VQTJNVASSA-N 427.895 4.747 30 10 IJEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870811643 DPIXQDXVBWJZEW-UHFFFAOYSA-N 425.872 4.635 30 10 IJEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870920535 SROMJXLIOGPJME-UHFFFAOYSA-N 449.507 4.759 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1ccc(C)cc1 1871166426 XZQKXHOLVWQUES-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(N(C)C)c1 1871250953 GAIXPOPOWHLJOW-UHFFFAOYSA-N 430.552 4.777 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871393383 IMFRZWHLZYMESN-CFRMEGHHSA-N 430.504 4.683 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)NCc1ccco1 1871445565 XLMIFAGVWFCRPA-JMIUGGIZSA-N 444.270 4.898 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NS(=O)(=O)c1cc(Cl)ccc1OC 1872614045 YENCJHMFNQZXRT-GOSISDBHSA-N 447.041 4.662 30 10 IJEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872771385 SVLTVVWUYIPCFA-MLGOLLRUSA-N 435.530 4.756 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666128 LLFXOXDHSWNRLN-HOTGVXAUSA-N 448.527 4.569 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1O 1874213891 KILCNUHKGQXQBW-OEAKJJBVSA-N 444.944 4.515 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1sccc1C 1874221600 SODBQMIVYQOOGY-PXLXIMEGSA-N 428.583 4.829 30 10 IJEE Cc1ccccc1CCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cccs1 1874363855 VKWMPYSBCOSILA-YDZHTSKRSA-N 442.610 4.607 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)o1 1874466616 RYQVNJRZSNQXRY-FSJBWODESA-N 440.456 4.621 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)ccc1O 1874484373 RYWIFBOFWGPJKN-ZMOGYAJESA-N 428.533 4.994 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OCC)cc1 1874578073 UOMGFCAFHQNGBC-YRNVUSSQSA-N 446.341 4.649 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c(OC)c1 1874633021 IJBBFIJRYISIHU-KZIRBZLESA-N 445.515 4.856 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(OCC(N)=O)c(Br)c1 1874635614 QQFLDGZQWDVOOQ-RMKNXTFCSA-N 430.342 4.815 30 10 IJEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1874638142 KGBQWPSBTBFLDN-CSKARUKUSA-N 440.879 4.958 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1ccccc1OC 1875128829 WTFBKLHZORHVGF-FYWRMAATSA-N 432.472 4.974 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)C1CC1 1875174065 YIISKGKQMVURST-WEVVVXLNSA-N 430.884 4.967 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCN(CC)CC1)n2CC 1875201453 OZVSQALWRPVMRN-UHFFFAOYSA-N 442.652 4.782 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)c1ccccc1 1901484001 UUBKSJLSTOFYQS-RPBOFIJWSA-N 439.515 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 1912202941 NLKRGOFWOLHXKC-AOMKIAJQSA-N 448.568 4.901 30 10 IJEE C#Cc1ccccc1[C@@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1952873048 VWLPDASNOVLYJU-MUUNZHRXSA-N 437.495 4.645 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1ncnc(Cl)c1C#N 1986486770 QTLLYCYJZKUEMP-HNNXBMFYSA-N 430.936 4.985 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997460711 HWKLQWDETKSGSN-BVAGGSTKSA-N 426.601 4.612 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](OC)C1CCN(C(=O)OC(C)(C)C)CC1 2067705357 KKZSDBWMCXCKPU-BJKOFHAPSA-N 446.632 4.790 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2076117199 ANQWHASJCSAYPE-DRLORSAXSA-N 446.632 4.524 30 10 IJEE CCc1ccc([C@@H](CC)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079101101 AUXOEVGKRAVIJK-SVZNOHIVSA-N 437.325 4.909 30 10 IJEE Cc1nn(-c2ccc(F)cc2C(F)(F)F)c(I)c1C(F)(F)F 2079673449 ZLIXTJUCDUKBGQ-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C#N)c1I 2080032829 HJLYONYCMDVREI-GFCCVEGCSA-N 449.214 4.700 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(OC)c1 2136322461 DLDWHVIUUMFONH-ROUUACIJSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(c1cc(Br)cc(F)c1C#N)CC2 2174768626 DPGKWQSWZRJZFV-GJZGRUSLSA-N 438.341 4.828 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2180989844 SVAWGXWGMAEQRT-IRXDYDNUSA-N 443.426 4.829 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2213312495 AVHLBQMEPQZOEP-BKMJKUGQSA-N 428.617 4.858 30 10 IJEE NCc1cccc(C#Cc2sc(Br)c(Br)c2Br)c1 2222450537 UZYRAZJKKMBAOM-UHFFFAOYSA-N 449.993 4.894 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](N)(C#Cc3ccccc3Br)C[C@H]21 2235729407 SZMGQPKMGIEBNT-SFGWALBWSA-N 433.390 4.698 30 10 IJEE C[C@H](C1CC1)N(CCC#N)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243911543 SXXMCLURCFDTPF-LJQANCHMSA-N 445.563 4.846 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 2250516788 LILKKXHKEYXNNS-OAQYLSRUSA-N 436.557 4.997 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2255869833 GOLBKXZYHTWROC-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256927945 OMDMLHMOWLHOTO-UHFFFAOYSA-N 430.285 4.659 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CN(Cc2ccccc2)C2(CCCC2)C1 2261981939 GUTDWCQHHAKSRB-MHZLTWQESA-N 435.564 4.818 30 10 IJEE C=C1CC(COc2ncc(C(F)(F)F)cc2Br)(NC(=O)OC(C)(C)C)C1 2265363272 PIDJHWSLWLAQBG-UHFFFAOYSA-N 437.256 4.855 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1sccc1CNC(=O)OC(C)(C)C 2278724658 FTHSAMWHSBAUBB-QGZVFWFLSA-N 435.387 4.848 30 10 IJEE C=CCCC1(C(=O)N2CCc3cccc(Br)c32)CN(C(=O)OC(C)(C)C)C1 2281047981 LOQGANALOPHVKY-UHFFFAOYSA-N 435.362 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(c3cc(Br)cc(F)c3C#N)[C@@H]2C1 2290259142 NCNPVLAHXKMVNS-FZKQIMNGSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296231809 IAINARUSMQUWNY-QRQLOZEOSA-N 432.358 4.938 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1CC 2296285731 DFZVQJUZKNJUMM-SFGWALBWSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CCC1CCN(C(=O)OC(C)(C)C)CC1 2296288770 KGLXRZLWPBOEIZ-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2ccc(Br)cc2)CC(C2CCC2)C1 2296309523 WTRNMTGIHGYFQU-IMYXXEESSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CCCCC1 2302429476 VGNFFXGINYILTK-ROUUACIJSA-N 437.581 4.522 30 10 IJEE CC(=O)Nc1ccc(N=C2NC(=O)C(=C(C)c3ccc(Br)cc3)S2)cc1 2314557095 MTTNZVHWDXOZKU-UHFFFAOYSA-N 430.327 4.689 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1cccc2ccccc12)NC1CCCCC1 2320861056 PFDOOJQRDQGFJV-UHFFFAOYSA-N 433.581 4.732 30 10 IJEE CC(C)[C@@H]1C[C@@](N)(C#Cc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321371541 AKJUANUPVLASSI-GMAHTHKFSA-N 441.369 4.565 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OCC(=O)OC(C)(C)C)cc(C)c3C1=O)cn2C 2321734451 AYFVUZZYTYZYGP-UHFFFAOYSA-N 449.503 4.832 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C)c(C)c1 2322884780 UFTGXXCLYJQFOV-UHFFFAOYSA-N 430.342 4.867 30 10 IJEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2323374898 WZOHGBSJZASMAT-UHFFFAOYSA-N 449.375 4.886 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325027653 PMVZVUNHCYTFTE-UHFFFAOYSA-N 425.437 4.713 30 10 IJEE COCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325338926 TUOXNZIVRDHRMW-KRWDZBQOSA-N 438.520 4.866 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2325721386 UQLIIPFATIEZDS-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2N=Cc2ccc(Cl)cc2)cc1OC 2325885321 YHKSUMLDADYMMY-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE CCOc1cc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SC)ccc1O 2325976070 IDIZEVCMONXFKZ-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE Cc1cccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SCCCO)c1 2326091430 AUJPXICGACWQIN-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1Cl 2326945259 BYOZJKPKGBOWDR-UHFFFAOYSA-N 431.005 4.657 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OC)c1O 2327976825 AHGFQFXQFNERJR-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cccc(OCC)c1 2328383595 UFQVABSRJRSDGH-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2N=Cc2ccccc2C)cc1 2328988716 GZKJXQASTDUCKX-JOCHJYFZSA-N 447.608 4.794 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OC)cc1OC 2329484228 HQUCBKOYFIAPRG-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1O)Nc1ccccc1 2330223026 OCNWZFCXNYMAHN-UHFFFAOYSA-N 449.580 4.720 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(C)cc1 2331405007 DXPYPJAYJWGFSR-UHFFFAOYSA-N 430.456 4.890 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1 2331747129 ULPLXNMHJKVETG-FQEVSTJZSA-N 445.855 4.546 30 10 IJEE CC[C@H](NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363842910 CKSHDQRJFLERTC-BVAGGSTKSA-N 448.460 4.939 30 10 IJEE CC1(C)OB(c2ccc(N[C@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@H]34)c(C#N)c2)OC1(C)C 2364947960 CKLYJUGMFXMRHJ-KNKUVARMSA-N 444.384 4.653 30 10 IJEE C#CC(C)(C)C[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366701219 GIGCGDYLOQNZCJ-JTQLQIEISA-N 426.703 4.588 30 10 IJEE N#Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)CCC4)nc3ccccc3c2=O)cc1 22019486 HFKUXCACPKDUOD-UHFFFAOYSA-N 437.524 4.721 30 10 IJEE COc1cc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccccc2)ccc1O 33414378 FIPNWKDLZYPFQW-PEBGULEFSA-N 427.456 4.583 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCOC)cc1 39912931 CYLUFLZCPMXJDX-NRFANRHFSA-N 439.895 4.511 30 10 IJEE Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(O)n(Cc2ccccc2)c(=O)c1C#N 40523089 LCTGESMIHWUIFF-QAPCUYQASA-N 431.319 4.556 30 10 IJEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc2c(c1)OCO2)C3=O 41661310 WGDIAEAUSNSQNV-OGQLAUOESA-N 427.456 4.945 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2C)n[nH]1)c1ccc(C)cc1 59021280 ORZBWJOVFSYLHN-OYKKKHCWSA-N 428.949 4.642 30 10 IJEE C=C(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1 66063156 ULSNUINUIZACIC-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE N#Cc1cc(CNc2c(Br)cc(Br)cc2Br)ccn1 68752097 ABPLKZCZZGVDPQ-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CCCOc3ccc(Cl)cc3)C2=O)cc1 96546668 ALQRWLQILJDHPR-QHCPKHFHSA-N 428.916 4.531 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 102438540 UTDNJHHTRUEHIJ-RKKARLDVSA-N 448.906 4.756 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102900181 NPOASZLNGVPQFF-GOBJLOIFSA-N 449.532 4.605 30 10 IJEE N#Cc1cc(Cl)nc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c1 122578530 NERIREMMFTYKLQ-UHFFFAOYSA-N 433.443 4.832 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1F 169936595 QXOZSCQKVIXPLN-JOCHJYFZSA-N 428.529 4.527 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccs2)c1 169989106 JJTGYYOWEGOVDO-NRFANRHFSA-N 437.492 4.983 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1)c1ccc2c(c1)CCO2 170098279 PNMCGIWTCSTYDT-HXUWFJFHSA-N 444.468 4.607 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170114157 MTQHHAFUZQCZDJ-ISKFKSNPSA-N 443.499 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 170166958 KLHJQHPXCBKLOZ-LJQANCHMSA-N 438.436 4.574 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 170257489 AIZYHBBSXNBBNN-QHCPKHFHSA-N 431.488 4.549 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1cn(C)c2ccccc12 170269274 AMPRGHLYTSLVKE-QHCPKHFHSA-N 432.520 4.955 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cn(C)c2ccccc12 170269485 IZYCOFHFRCTACE-QHCPKHFHSA-N 432.520 4.954 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)c1 170290362 MIEIADOCSMURDI-HXUWFJFHSA-N 425.387 4.739 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)cc1 170296129 BSDZSUPVTHSKTP-JOCHJYFZSA-N 435.451 4.986 30 10 IJEE O=C(O)COc1ccccc1/C=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O 254481876 QORPWBHASHWDAW-QGJBXVFPSA-N 430.485 4.959 30 10 IJEE C=CCn1nnc(CSc2ccc(F)cc2)c1C(=O)Nc1cccc(Br)c1 334161579 CJFDOULRWPZLRD-UHFFFAOYSA-N 447.333 4.910 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)c2cccc(I)c2)CC1 381919220 NCZOAVUAPHDDDG-MRXNPFEDSA-N 426.298 4.545 30 10 IJEE Cc1c(C#N)c(NC(=O)CCN2CCCC[C@@H]2c2cccn2C)n(Cc2ccco2)c1C 472318402 RZZPOLRAGKQGOU-HSZRJFAPSA-N 433.556 4.512 30 10 IJEE C[C@@H](Nc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1[N+](=O)[O-])c1ccccn1 484178061 PKCJQWAZWVSRBM-OAHLLOKOSA-N 442.479 4.561 30 10 IJEE Cn1cc([C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C(F)(F)F)cn1 487762315 ZBMCDJHRMFQNAL-SFHVURJKSA-N 434.805 4.771 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1nc(O)c2ccccc2n1 489670430 GLWIFIDINCCKIE-MRXNPFEDSA-N 433.537 4.854 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2coc3ccc(F)cc3c2=O)cc1 526488771 MYQRUOMRDYVZCO-NRFANRHFSA-N 444.443 4.922 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 526809613 JIYHTAXEOYWQRF-FMCGGJTJSA-N 425.514 4.766 30 10 IJEE CCCCOc1cccc(/C=N\n2cnnc2SCc2ccc(C(=O)OC(C)C)o2)c1 526831093 GOXZGBCRUGZUHP-CFRMEGHHSA-N 442.541 4.790 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 559000529 GWAWUILASFWWKJ-SANMLTNESA-N 446.551 4.564 30 10 IJEE N#CCc1ccc(-c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)cc1 577686339 BLZCRQJYGQSSFC-UHFFFAOYSA-N 425.473 4.771 30 10 IJEE C=CCCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(C)c(C)c1 586129120 XYEVHAYWNSBKNS-UHFFFAOYSA-N 431.598 4.910 30 10 IJEE Brc1ccc(I)c(N=C2N[C@H](C3CCC3)CS2)c1 717647575 BEALRPPXMYNPAS-LBPRGKRZSA-N 437.144 4.546 30 10 IJEE N#C[C@@H]1CN(C(=O)c2oc3ccccc3c2CSc2ccccc2F)CCN1C1CC1 732648091 OEKWEQRXRFCGSN-QGZVFWFLSA-N 435.524 4.677 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 733202422 RGGUTTUYAVSVKR-FQEVSTJZSA-N 439.968 4.940 30 10 IJEE CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1cnn(-c2ccccn2)c1C 748249580 BMDLKFSHJXHWBW-UHFFFAOYSA-N 434.507 4.660 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@@H](CC(F)(F)F)C2)c1=S 766121550 WHMJMCHVOULSIY-INIZCTEOSA-N 426.508 4.719 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(CC2CC2)C(=O)N[C@H]1c1ncc(C(F)(F)F)s1 788475275 DSTRHIKRNYEEBA-QGZVFWFLSA-N 435.471 4.947 30 10 IJEE N#Cc1ccnc(N2CCC[C@H](OC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)C2)c1 791983599 RDAPIIVBSXEIRT-SZLZGVTBSA-N 435.833 4.765 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1cccc(C)c1 799214852 FVMSVAITVKMXJY-SFHVURJKSA-N 431.945 4.637 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 1126052196 VBNKWMHPDFJLLB-QGZVFWFLSA-N 448.441 4.890 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3C(F)(F)F)cc2C1=O 1127276296 GUXYYQGHLKYIJU-OXJNMPFZSA-N 442.437 4.554 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)c1ccc(Cl)cc1 1129722707 NLIUCBVWASLLBL-IBGZPJMESA-N 428.294 4.911 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2NCc2ccccc2C)c1 1152798551 ZGOQBZZSUBGRMD-UHFFFAOYSA-N 432.545 4.656 30 10 IJEE C=CCOc1ccc(CNC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)cc1 1157326727 HRHVAGIYTPYUGH-UHFFFAOYSA-N 444.560 4.960 30 10 IJEE C#C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CCC2 1159765156 XMSVGNYTTJFOMG-UGEDRFTOSA-N 434.898 4.628 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)C12CCC2 1163819284 HDIXJVOJSSMTDE-FGZHOGPDSA-N 431.536 4.791 30 10 IJEE CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3cc(Br)ccc3C#N)oc12 1184844723 AHRCOWQGBCOYQE-LBPRGKRZSA-N 449.326 4.505 30 10 IJEE CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1 1194118256 GUKHPWXXZZYQRI-UHFFFAOYSA-N 430.888 4.964 30 10 IJEE CSc1ccc([C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)N(C)C)cc1 1198033072 DAHIHYJSNUZCLJ-QFIPXVFZSA-N 447.564 4.892 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(-c2cc(F)ccc2C)s1)c1ccc(Br)cc1 1204565229 ITSRFMVNJPMAJE-MRXNPFEDSA-N 445.317 4.911 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1C(F)(F)F 1215474633 BBDPOUGLNDZOFF-QGZVFWFLSA-N 438.450 4.632 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 1219087071 YORYQGVUOMMHJR-HIFRSBDPSA-N 439.350 4.646 30 10 IJEE C=CCC[C@H](NC(=O)NCCCN1CCCCCC1=O)c1ccc(C(F)(F)F)cc1 1223556691 IEUHYCJERYKQFH-IBGZPJMESA-N 425.495 4.805 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)CCC2CC2)c1 1266373182 XJMXWZIICISCQP-UHFFFAOYSA-N 432.973 4.593 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1OCC=C 1286365972 OZYFVIDJNKSMPZ-UHFFFAOYSA-N 432.593 4.958 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OC1CCCC1 1286440911 CCCWMXDERNLMBF-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)c1ncc(C)s1 1286453865 CSCPLPMPZXYZQP-MRXNPFEDSA-N 425.577 4.923 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H]1CSCCS1 1286456384 QGGMXSYLZHMCTD-HXUWFJFHSA-N 430.618 4.563 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](CCC)C1 1286550924 KCSKNVYDBBMUIV-TYPHKJRUSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC1(C)C 1286552691 NMDDAYQVAGZRKB-UEXGIBASSA-N 428.552 4.917 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@H]2C)CC1 1286654186 BWKPUONUQFSQIB-MOPGFXCFSA-N 444.023 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@](C)(CC)C1 1286668359 QKJFTEAVXKRHOL-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccsc1Br 1286679932 DWGACWONVHIYNV-MRXNPFEDSA-N 439.423 4.837 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286703128 BNSPLKYLOUTTRA-FQEVSTJZSA-N 431.625 4.670 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nccn1C(F)F 1286753089 UGEULZWKGVVETM-OAHLLOKOSA-N 444.555 4.950 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C1CCN(CCC)CC1 1286770193 ZPDCDUYZCFYSJT-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286796826 WXQWRTRYZPVOAF-OAQYLSRUSA-N 447.583 4.737 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1286830810 VAUXBKKQXBUNOE-HUUCEWRRSA-N 433.419 4.862 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1289625381 UXFJNIDSGAKXKH-OAQYLSRUSA-N 448.364 4.859 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC2(CCC2)C[C@H]1CC 1300391265 LHBZLIOZEOQGFT-LJQANCHMSA-N 438.572 4.543 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1ccsc1 1300569051 ANIILTKJCUGESI-UHFFFAOYSA-N 448.592 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1c(C)nn(Cc2ccccc2)c1C 1300780275 ONXRPSNZZSYBSZ-NIYFSFCBSA-N 430.600 4.694 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccccc1Br 1300807720 NSJOTGDPMVQPLK-JOCHJYFZSA-N 427.390 4.814 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCC1 1300873423 GDLJKABLWLCQCY-NZQKXSOJSA-N 440.588 4.714 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(F)(F)F 1300876710 SBQUXGXFHAZXJF-SUMWQHHRSA-N 444.885 4.587 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)CCc1ccc(Br)cc1 1300991547 UMVASFHTRIEXKO-UHFFFAOYSA-N 449.437 4.901 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N(CC)CC)CC1 1301106418 UKGYPBOEOVUXMH-MOPGFXCFSA-N 429.584 4.690 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1)c1ccccc1 1301165830 LEDNZFDMDLLMBD-XZOQPEGZSA-N 440.632 4.857 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCc1sc(C)nc1C 1301340859 FOALPKAXHGGUMM-OAQYLSRUSA-N 448.596 4.510 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCC2)n1Cc1c(C)sc(C)c1Br 1301425699 XQMIRBVXSPGHGF-UHFFFAOYSA-N 439.423 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)SC)C1 1301543300 XOPDUERVKFHXSJ-MRXNPFEDSA-N 437.009 4.530 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@H](C)C1 1301600985 LNHQRAYWVOOUAB-YESZJQIVSA-N 432.659 4.664 30 10 IJEE C#Cc1ccc(NC(=O)C2CC3(C2)C[C@@H](NC(=O)OC(C)(C)C)CCS3)c(Cl)c1 1304273555 YKDYOSIDPZOKOM-BXFSZVDSSA-N 434.989 4.829 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1306268767 HAGZSYZYTLBXNB-PKHVTESESA-N 433.556 4.559 30 10 IJEE C#CCN(CC#CC)Cc1csc(=Nc2ccc(OC)cc2)n1[C@@H](C)c1ccccc1 1307496055 IPLNWDAKRFUGLD-NRFANRHFSA-N 429.589 4.858 30 10 IJEE C#CCOc1cccc(Cl)c1CN(C)CC(=O)NC(c1ccccc1)c1ccccc1 1308787366 RZLLUMXHSWVKIT-UHFFFAOYSA-N 432.951 4.690 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1310585458 ZXUCDCXJJCSDBH-QGZVFWFLSA-N 430.348 4.820 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@H](C)CCc1ccc(I)cc1 1312628320 DKNRVGMBPVAABV-QAPCUYQASA-N 426.342 4.753 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)Cc2coc3c(C)c(Cl)ccc23)ccc1OC 1353364227 BNEXDBFIPLMCDH-QGZVFWFLSA-N 426.900 4.943 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CCCN1C(=O)OC(C)(C)C 1355679668 PHVQYLKCOGGIJA-RDPSFJRHSA-N 430.545 4.529 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2c(c1)NC(=O)C2(C)C 1358208761 RRNYBODIYZSJEM-UHFFFAOYSA-N 431.305 4.646 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(Br)c3nccnc3c2)c1 1358381923 HEJMPAPPEMWRTH-UHFFFAOYSA-N 432.277 4.814 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@H]1C 1358988829 FMIWUIJIKQCFDH-SJORKVTESA-N 443.364 4.746 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccccc2)n1Cc1ccc(-c2ccsc2)nc1 1359012731 XASLXGJIPLWPDV-UHFFFAOYSA-N 427.577 4.695 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN1CCC 1359015833 GSKZRANVCXPEMF-QHCPKHFHSA-N 449.574 4.890 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]1c1ccco1 1359156271 AESOCAQIQRECGV-QGZVFWFLSA-N 428.920 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](SC)C1 1359191214 RHQUDPUEPZRYLT-QGZVFWFLSA-N 447.674 4.594 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC2(CC2)C1 1359197725 YCXOLPDXHDJBRN-UHFFFAOYSA-N 427.980 4.598 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359209193 FDADMQVPCVOHIE-APWZRJJASA-N 445.995 4.914 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccccc1C 1359219245 KLQPWKDTYMWRGG-HXUWFJFHSA-N 435.597 4.886 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1359224463 RZLGPZYAOSHRIK-GHTZIAJQSA-N 437.975 4.969 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H]1CCCCN1CCC 1359262851 HNIHJLWBTWJOSW-HXUWFJFHSA-N 436.629 4.859 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](C)[C@H]2CC)cc1 1359308372 MPWLPCMZUDAYOI-VGOFRKELSA-N 437.613 4.872 30 10 IJEE C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C#N)c1ccc(F)cc1 1359477676 CRGWXMYOYRSANK-XWDORNJCSA-N 427.568 4.735 30 10 IJEE CC(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 1359667546 ARZMDZHWFRIVMT-UHFFFAOYSA-N 437.588 4.559 30 10 IJEE COc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)nc2)cc1Cl 1436107552 BCSNSEFCRIXCMQ-NRFANRHFSA-N 432.911 4.890 30 10 IJEE C=CCC(CC=C)C(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1439591558 MPPXUVGOBFLUNL-RTWAWAEBSA-N 440.584 4.911 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(OC)cc1OC 1440711770 BGKPJMGTBSQXHJ-PMACEKPBSA-N 432.561 4.617 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)NCCN3CCC4(CCCCC4)CC3)c2)cc1 1457772091 CKIPRMUVMKAYHA-UHFFFAOYSA-N 431.580 4.913 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 1458275828 GVWVVWLRZLTTPK-VWLOTQADSA-N 437.588 4.933 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)s1 1459892081 AGAPOINJPSPDQQ-UHFFFAOYSA-N 434.970 4.916 30 10 IJEE CCN(Cc1ccc2ccccc2c1)S(=O)(=O)c1cccc(Br)c1C#N 1462900487 GSLVZXACJOBSPT-UHFFFAOYSA-N 429.339 4.685 30 10 IJEE CC1(C)Cc2c(Br)cccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl 1463781383 GWYYMSJMVGRUTL-KRWDZBQOSA-N 439.762 4.576 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 1463911798 OXCPQRJIWQZPLF-KRWDZBQOSA-N 440.920 4.923 30 10 IJEE COc1ccc(C2(CNC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CCC2)cc1 1465988034 HTSFZIXGENYENE-UHFFFAOYSA-N 435.915 4.649 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC3CCN(C(=O)[C@H](CC)c4ccccc4)CC3)cc2n1 1467353662 OSVPHMBUBLQYAD-HSZRJFAPSA-N 445.567 4.529 30 10 IJEE C[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)NC(=O)OC(C)(C)C 1467778337 HNFGTJNFTUIVQR-CQSZACIVSA-N 429.904 4.647 30 10 IJEE C=CCCCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1472254078 IYTJTKQKERKNHS-UHFFFAOYSA-N 440.487 4.935 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)C1 1476495482 UHSCFAYKBQIIOA-KRWDZBQOSA-N 446.320 4.600 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)c1ccccc1 1479190671 LWDXAZOZFKHFLA-JOCHJYFZSA-N 425.960 4.791 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1cccs1 1502923948 AUBKSJDDUAUKFJ-QGZVFWFLSA-N 444.564 4.918 30 10 IJEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC(C)(C)C1)C1CCCCC1 1503378894 GXJZIWMPNZFRTJ-HSZRJFAPSA-N 434.632 4.954 30 10 IJEE CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1Br 1503582722 GEXIAAHJMPSCNG-UHFFFAOYSA-N 442.386 4.925 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCOCC(=C)C 1507664580 TUKDVARHGWSPPA-UHFFFAOYSA-N 448.567 4.868 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)[C@@H](C)CC 1507764615 RWUAXSMSRATUSI-HHJKRLRDSA-N 439.673 4.854 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccccc1OC 1507783132 CELBUKSZYWRJPH-IEBWSBKVSA-N 447.377 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1507826182 ISHYZXNYZSPBOJ-UKILVPOCSA-N 431.584 4.834 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1507901664 NQLJGEIGSPEMPV-FGZHOGPDSA-N 437.632 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1507911335 JQNCNJMVYXVSFG-IAGOWNOFSA-N 430.618 4.895 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2cccs2)CC1 1507926561 GYEJFBKYHICGGL-UHFFFAOYSA-N 437.613 4.694 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCOC[C@H]1C 1507995618 AFQRPGFJEWITCZ-CTNGQTDRSA-N 426.605 4.741 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1508065609 NDACOAOKWAVEPW-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1508153517 ZWYMGORLEDYVBO-VGSWGCGISA-N 435.037 4.548 30 10 IJEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(CC1CC1)C1CCCCC1 1515957442 AOVYJBYSZHLRAI-UHFFFAOYSA-N 448.615 4.528 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1516157094 VAJYRIWRYKPVIW-UWJYYQICSA-N 433.470 4.998 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 1521849869 USPJKRZWQAFVAI-UHFFFAOYSA-N 443.334 4.640 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1nc(C2CC2)nn1C)c1ccc(C)c(C)c1 1524803515 QHZJMJYSYALTIE-UHFFFAOYSA-N 430.552 4.650 30 10 IJEE C#CCN(C(=O)[C@H](CC)Oc1ccccc1F)[C@H]1CCOc2ccc(Br)cc21 1529627607 RONPXXCZWDQSCD-OALUTQOASA-N 446.316 4.731 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 1532963697 OVXSNZICDMMBDI-LBPRGKRZSA-N 441.377 4.602 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cc1 1534636410 BVYSSVMBNQWFHE-QGZVFWFLSA-N 443.454 4.703 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccccc1 1537027518 ZUSSKYMZCBEMMU-DEOSSOPVSA-N 440.609 4.935 30 10 IJEE COc1ccc(C(=O)c2c(NC(=O)c3cccc(C#N)n3)sc3c2CCC3)cc1Cl 1538929793 DMZLZPFCBDKIQQ-UHFFFAOYSA-N 437.908 4.649 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCSCC(F)(F)F 1538971044 FHFQCUJOMAXGEJ-ZIAGYGMSSA-N 446.926 4.825 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(c2ccccn2)CCC1 1538975287 ZGYQSPRPGVGZQB-MOPGFXCFSA-N 433.531 4.532 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(C)o1 1539607244 ATTMZBBMWZQAFK-UHFFFAOYSA-N 431.334 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@](C)(CC)C1 1539621365 RAHCARHVJOPKHM-LEDOBFOHSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(C)C)CC1 1539621887 BYSJPCWLDCXFTM-KNQAVFIVSA-N 444.023 4.547 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1539696746 CEDZCMJPLDTNHT-INIZCTEOSA-N 444.292 4.779 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@H](SCC)C1 1539735731 OLPSIROCCIFYPJ-SFHVURJKSA-N 436.025 4.698 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1539849376 WOHVDTVLLHHYOH-LJQANCHMSA-N 443.636 4.813 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCC[C@H]2C)CC1 1539891390 ASRSLZSKSACIDV-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(C)CCC1 1540120715 NMUKPBQNJDVFDR-UHFFFAOYSA-N 434.588 4.531 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CCCN1CCCCCC1=O 1540134502 TUNJVPSTTPEAJK-UHFFFAOYSA-N 441.595 4.700 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCC1 1541107211 GVMVCWUJNIJUCD-INIZCTEOSA-N 435.403 4.724 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ncc(Cc2ccccc2)o1 1542728147 WNMQSBDWECSGPC-UHFFFAOYSA-N 429.289 4.995 30 10 IJEE C#CCC1(C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)CCCCC1 1543976710 YVWYXSLUDHTJOK-GOSISDBHSA-N 435.349 4.656 30 10 IJEE Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(O)c1 1544958617 BCUUZEYFFVYVPU-UHFFFAOYSA-N 449.894 4.777 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCC(F)(F)C2)cc1OC 1547260820 FMRLTTZIVIYUMP-IRXDYDNUSA-N 447.530 4.774 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)OCC)c1cccc(Cl)c1 1559346939 GXJJGHVDXCBJFR-HXUWFJFHSA-N 449.020 4.542 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)c1ccc(Cl)cc1F 1563687144 HZXJHNKQZROEFJ-FCHUYYIVSA-N 443.950 4.688 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1565183500 DRTMHMMWDSMYAS-UHFFFAOYSA-N 449.595 4.725 30 10 IJEE C(=NN=C(c1ccccc1)C12CN3CN(CN(C3)C1)C2)c1c2ccccc2cc2ccccc12 1565514422 USWKMSNBPRAUGR-UHFFFAOYSA-N 445.570 4.622 30 10 IJEE C=CC[C@H](C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccccc1 1565558639 IMJUYHURGZKYTC-QHCPKHFHSA-N 435.568 4.953 30 10 IJEE C=CCC[C@H](NC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)c1ccccc1 1566621598 WWQXACRXPTUUGL-FQEVSTJZSA-N 434.540 4.796 30 10 IJEE C[C@@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ncccc1Br 1583469164 IAUVYFSQJDLTDX-CQSZACIVSA-N 425.286 4.539 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCC(F)(F)C1 1587598520 BXGOBKMOGKOHFC-SJORKVTESA-N 432.515 4.636 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)C(C)C)c1 1587697303 NBDILBBFEGWUCS-UHFFFAOYSA-N 449.624 4.669 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1587809106 ZGEBQHIANCEFQI-PBEJRMEISA-N 445.007 4.963 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1588099485 ODMCBKAWJVMUSJ-SZPZYZBQSA-N 443.595 4.522 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1oc(CC)nc1C 1588451693 FESVNLYIRCLVGC-UHFFFAOYSA-N 429.977 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](OC)C(C)(C)C 1589149970 BOBFRBMSQDFNBJ-WSCWJOSJSA-N 428.552 4.610 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2C)C1 1589547870 WQMMAQAVGQBYGY-BKULYWANSA-N 438.616 4.734 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(F)(F)C1)c1ccccc1 1593781957 CHIZZCMFJQGBOG-UHFFFAOYSA-N 434.288 4.595 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccccc2)N(C)C)CC1 1594133714 CGVBKAUXQOVJHG-DNVJHFABSA-N 437.632 4.656 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCOC(C)(C)[C@@H]1C 1594793353 KQHGOMBBXUKFJV-ROUUACIJSA-N 444.645 4.728 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCC 1595149373 NOOCSLWTPCBPBA-QFIPXVFZSA-N 446.624 4.945 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)C 1595171523 WHWJFPHXJVHKIO-YPAWHYETSA-N 429.653 4.701 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1595343187 FXGICDBPKOKIHM-GJZGRUSLSA-N 437.407 4.739 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@](C)(O)C2CCCCC2)C1 1595688859 PWYNZIYLLWNTCA-JYFHCDHNSA-N 438.616 4.620 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N4CCO[C@H](C#N)C4)n3CCCC(C)(C)C)cc2C1 1612734767 DQNSXEHMYQVQIV-SJLPKXTDSA-N 427.618 4.686 30 10 IJEE CCCOc1ccc(/C=C2/S/C(=N/c3ccc(O)cc3C(=O)O)N(CC)C2=O)cc1 1614234647 WORIDUMCLUUXHK-GTXWLNMASA-N 426.494 4.503 30 10 IJEE CC(C)Cc1ccc([C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)C)cc1 1615928570 FUWLIBQXYHUGTQ-VWLOTQADSA-N 429.568 4.868 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](CC)c2cc(F)ccc2OC)nnc1-c1ccco1 1616879952 UYDQBJJQIPKUTM-KRWDZBQOSA-N 444.532 4.622 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1I 1617458827 OBBWWHUXDPDJCO-NHYWBVRUSA-N 448.142 4.918 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)Nc1cc(F)c(Br)cc1OCC 1623168957 FERFNUGFAKHGPL-UHFFFAOYSA-N 425.229 4.782 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)CCc3ccc(OC(C)C)cc3)n[nH]2)c1C 1626240505 GGRYSCLJFFHTFQ-QGZVFWFLSA-N 435.572 4.614 30 10 IJEE C#CCN(C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)[C@H]1CCCc2ccccc21 1626832133 YCJSOLUUHUVIIZ-ZDUSSCGKSA-N 430.402 4.737 30 10 IJEE C=CCNc1ncc(C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)s1 1629399082 JENATDILHGNDEE-UHFFFAOYSA-N 426.369 4.979 30 10 IJEE C=C[C@@H](C)ONC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1640634726 DQGAIIQESSPJPX-IBOXJLQUSA-N 430.504 4.975 30 10 IJEE N#Cc1cccc(CNC(=O)CN(Cc2ccccc2)Cc2ccc(Br)cc2)c1 1642555819 DVVHSRZIYTXQAX-UHFFFAOYSA-N 448.364 4.639 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1)C1(CO)CCCC1 1643339932 AVPPHEWFQTYMOZ-NTKDMRAZSA-N 437.609 4.760 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C=CCC1 1643605147 FLNOYFMOBQCHCQ-CLOONOSVSA-N 430.548 4.942 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc2c1OCCC2 1654025544 GYZHVTGYALZTLW-UHFFFAOYSA-N 436.508 4.726 30 10 IJEE Cc1oc(NC(=O)[C@H](C)N2CCC(c3cccc(Br)c3)CC2)c(C#N)c1C 1658419276 DIJVDTCBVXJNGQ-AWEZNQCLSA-N 430.346 4.737 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](O)c1ccc(Cl)c(Cl)c1 1662921848 DLLVHNDDWYTBIS-QGZVFWFLSA-N 429.141 4.591 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1OCC 1663255685 LFLVJPLQXDMROL-CJNGLKHVSA-N 438.284 4.612 30 10 IJEE Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)cc1Br 1667452791 DOUQLBQDQKBLKD-HKUYNNGSSA-N 433.371 4.526 30 10 IJEE Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccc(F)cc3C#N)c(C(F)(F)F)c2)n1 1667624450 GFHMUOUHSXPCHV-UHFFFAOYSA-N 431.393 4.840 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 1670326395 YWTWTQOYFCBWCH-FFZOFVMBSA-N 433.321 4.568 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2cccs2)C2(CO)CCC2)cc1 1673819442 FMBAAOYDTZNJOV-OAQYLSRUSA-N 439.581 4.588 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NC1(c2ccccc2Br)CCC1)C(C)C 1675963845 ISTXQOWFGPOKKT-HXUWFJFHSA-N 434.422 4.826 30 10 IJEE C#CCN(C(=O)NC[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1682273145 IUPYFECCQZVYML-QFUCXCTJSA-N 439.353 4.721 30 10 IJEE C=C1CCC(CNC(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 1683957721 UWKMITIHJKJCIK-MRXNPFEDSA-N 435.284 4.547 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1684418948 AAMCGRDVUCEKNJ-SBHAEUEKSA-N 426.923 4.539 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NC/C=C/c2ccc(Br)cc2)c1 1684601844 AMKCOLLPGHPWNC-FHHGHWCOSA-N 428.330 4.643 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 1684924856 ZNNUXUHMPYPDMM-JOCHJYFZSA-N 438.572 4.625 30 10 IJEE C=C1CCC(CNC(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)CC1 1685165994 IBOHMVAPRAYKRQ-OAQYLSRUSA-N 431.621 4.944 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1F 1686922197 CJBNUCQHAYHWMW-IAGOWNOFSA-N 429.706 4.835 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1689888132 BEFMRKSSPANRKS-UHFFFAOYSA-N 434.632 4.877 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nc(C)c(C)s1 1690060780 IKMPIPXLRJFUKZ-UHFFFAOYSA-N 448.621 4.958 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CCN(CC)CC1 1690064054 YRUGRFDNFJEPFD-UHFFFAOYSA-N 439.673 4.857 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCC[C@H]2CC)CC1 1690367302 IURAULWDIRYKQW-HXUWFJFHSA-N 445.558 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOc2ncccc2F)CC1 1690369033 VSDJIRNRGOPJPT-UHFFFAOYSA-N 431.874 4.507 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690380786 URIQBVHLFHTMMG-PSWAGMNNSA-N 435.660 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1690419842 CULZTLKCNSPFMZ-VWLOTQADSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)[C@H]1CC 1690422075 CDQHQASOJRQOHK-QGZVFWFLSA-N 436.387 4.569 30 10 IJEE C=CC[C@@H](Cn1c(N2CC=C(C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690446431 AGFMHINPVOVGLA-OZXSUGGESA-N 436.600 4.835 30 10 IJEE C=CCCCn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1690493657 ODVMKIFGCXAHPW-QHCPKHFHSA-N 430.980 4.501 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccccc1C 1690526117 XULPASMXPJNGJE-OAQYLSRUSA-N 439.604 4.566 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1coc(-c2cccs2)n1 1690532184 IEPQUAJRLBQQLT-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOC1CCCCCC1)C1CC1 1690538838 QJGPLQAINBWWBS-UHFFFAOYSA-N 448.409 4.930 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1ncccc1C 1690604256 QUMVHJDMFOBBMZ-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1690636214 MSCHYLLKEVTMJQ-DOTOQJQBSA-N 431.378 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCCCC2)C1 1690690464 ZETNGPGMIVXSRT-HSZRJFAPSA-N 437.632 4.510 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1690750209 CVVOAKDQUKXUPF-QGZVFWFLSA-N 436.622 4.637 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC(C)=C(Br)C1 1705519266 FIZIJJKLMYQPFU-UHFFFAOYSA-N 427.390 4.746 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1SC 1705605690 AVBBEPLNQQMTEX-UHFFFAOYSA-N 444.402 4.574 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](CC)C1 1705655601 HSOGRRZCMGRMRI-OAHLLOKOSA-N 441.453 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCN(C(C)C)C(C)C 1705677703 YMOGTWWNUGDJPS-AREMUKBSSA-N 437.632 4.667 30 10 IJEE C=CC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(CC)CC)CC1 1705776195 AGSFFHJMISVBLK-UHFFFAOYSA-N 449.643 4.799 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(F)(F)F)CC1 1705784956 PYHBNCIQVBSTOY-UHFFFAOYSA-N 433.478 4.720 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1705809321 NRAIJHDRYPBFOX-OAQYLSRUSA-N 426.492 4.523 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccc(F)cc2C1 1705812662 IJAPYWZQUPKDDV-UHFFFAOYSA-N 444.352 4.714 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705822804 RBOGPFSZPLNEFI-NHCUHLMSSA-N 438.616 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CSC)cc1 1705866052 GDLDLEUZDUQLDC-HXUWFJFHSA-N 440.638 4.947 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCc2ccc(O)cc2C1)C(C)C 1705866826 ASUHREDGVZWJTD-VWLOTQADSA-N 449.643 4.903 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCCCC1 1705882004 ILBQITPEYPZJRB-UHFFFAOYSA-N 426.605 4.577 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCc2ccc(Cl)s2)C1 1705926382 CJJLJZIXDJMLDH-LJQANCHMSA-N 443.016 4.802 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(c2cnn(C)c2)CC1 1705944408 GHLIJJNZAYKWGJ-UHFFFAOYSA-N 443.020 4.635 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705947905 BQKJARWHDBFHOE-NRFANRHFSA-N 428.646 4.624 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722287052 LTBPXLVTOKTBRH-QHAWAJNXSA-N 444.627 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCCc1nc(C)cs1 1722300336 YSHJXMSCMULLHY-FQEVSTJZSA-N 437.613 4.720 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC(C)(C)c1ccccn1 1722408677 OXXMAFCPULHZED-UHFFFAOYSA-N 438.373 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1722494187 LVXDCNZXCHFBTE-RDJZCZTQSA-N 428.886 4.968 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1722533789 ZQZMYDQAOPUJAU-FGZHOGPDSA-N 431.669 4.550 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1722550372 JLJGXHDYJFWZPX-OAQYLSRUSA-N 437.975 4.629 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1722576633 RKFLKOFASMSADW-OPAMFIHVSA-N 445.405 4.661 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(Cl)nc2)CC1 1722579330 FTTLNNACZIPWQT-UHFFFAOYSA-N 437.975 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722586275 ASLCCROYXCVPNU-UXHICEINSA-N 434.632 4.958 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1722594119 GENIFGUNADWPOW-OFNKIYASSA-N 437.632 4.846 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1722613088 RYVDGSNITOKMNP-HXUWFJFHSA-N 435.572 4.705 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1c[nH]c2cc(F)ccc12 1722633314 SCWVIADYFVGQQN-UHFFFAOYSA-N 443.324 4.521 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1sccc1C 1722659683 ZHEMCYNKLTUXAJ-UHFFFAOYSA-N 432.597 4.751 30 10 IJEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nccs2)CC1 1723730805 BYQOIOLJSPZHNG-UHFFFAOYSA-N 438.626 4.799 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1scnc1C 1740650349 XSULUXPGTQLUKQ-KRWDZBQOSA-N 449.649 4.602 30 10 IJEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)c1cccs1 1740683489 IGNMTMUJMZAQHC-UHFFFAOYSA-N 433.581 4.552 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2CN(CC)CC)CC1 1740840100 WJTGBQNWSFDDSR-UHFFFAOYSA-N 444.627 4.556 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCSC2(C)C)CC1 1740842104 MUHMOFPOHKALKM-SFHVURJKSA-N 430.593 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)C1 1740844095 CRXDZQYGTFNWKT-CQSZACIVSA-N 438.439 4.590 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1740845983 ILFZSYYFXWTFFU-UHFFFAOYSA-N 433.604 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C 1740851985 GRDXMEGMGMZUMP-QGZVFWFLSA-N 432.634 4.779 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C2CCC1(C)CC2 1740883120 JQDITNMADHGAML-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1740886869 VNWOVFKLMHUMNY-MRXNPFEDSA-N 444.551 4.925 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H](C(C)C)N1CCCC1 1740921568 AHMHXXDDINZAAM-JOCHJYFZSA-N 436.629 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740927817 PDJRYODKEGOPQG-INIZCTEOSA-N 439.913 4.661 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)c2ccc(OC)cc2)C1 1740974860 JFTBOPMBCIMIJY-NRFANRHFSA-N 436.556 4.614 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(OC(C)(C)C)CC1 1740997210 OBLCGBFFUABTEP-UHFFFAOYSA-N 430.618 4.657 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1 1740997974 GHZAQZJGDOXUSI-HUUCEWRRSA-N 439.050 4.857 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[C@H](O)C1 1741516083 GHSFDPOXWJMMBA-MOPGFXCFSA-N 429.996 4.916 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCCCC1 1749022748 LVYXVXHCIALBPJ-LJQANCHMSA-N 428.602 4.564 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C2CC2)C1 1749085705 CXRHUBCIVRYALC-HOCLYGCPSA-N 435.341 4.702 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1749091701 DQVYFARCYALAPH-MOPGFXCFSA-N 445.405 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN(C)C(C)C 1749153779 DBVDOGZLXUSXEA-UHFFFAOYSA-N 432.616 4.939 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN(C)C1CCCC1 1749154020 IOFDWZNSUBLZLH-UHFFFAOYSA-N 434.588 4.877 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCS1 1749155184 AMVMUNHVDRVLMK-LJQANCHMSA-N 449.665 4.691 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1749174945 ISZIAIBDUXOVMJ-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C)C(=O)C1 1749356173 YELLGYWHGAFBBS-UHFFFAOYSA-N 444.004 4.694 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749395685 NJWRLRZBEUXXQM-GOSISDBHSA-N 427.568 4.572 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)CC1 1749403705 IMLWSAFWHRPMMK-UHFFFAOYSA-N 425.577 4.752 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1749434330 OLESSYQKRWXNRP-RTBURBONSA-N 432.996 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CCC1CCOCC1 1749552443 BURHVBSYNMVDTA-UHFFFAOYSA-N 443.642 4.705 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCN1CCC[C@H]1C 1749554572 VUVMGMBJSQMEPQ-LJQANCHMSA-N 439.604 4.746 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749747188 VNDVTLLSMDDBDD-SIKLNZKXSA-N 439.673 4.835 30 10 IJEE CSC1(Cn2c(CC(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)CCC1 1750261383 GEEYFUJWQKYUGA-UHFFFAOYSA-N 439.629 4.682 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1760134006 XDDHTETZTNCWAU-PZJWPPBQSA-N 440.588 4.548 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760274269 HWUDSYVPLNTOMQ-FGZHOGPDSA-N 440.657 4.970 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)C1CC1 1760317177 BNVVROALPRQKTR-CXAGYDPISA-N 437.407 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCC1(F)F 1760339572 MZPVLAUKIZZZJS-GOSISDBHSA-N 428.531 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1760414152 GUHJTOLUJSVRKR-OAQYLSRUSA-N 431.584 4.869 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1760420719 UUORUVJBYKBXMP-GMAHTHKFSA-N 437.632 4.579 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccsc2)CC1 1760435382 HSHAKURQRMGPEQ-UHFFFAOYSA-N 441.988 4.589 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1CC1 1760475966 BLQFRKRNLKCYAT-GOSISDBHSA-N 431.625 4.811 30 10 IJEE Cc1nn(-c2ccccc2)c2c1C(=NOC(=O)c1cc3ccccc3oc1=O)CC(C)(C)C2 1772728536 PNEVRTDEWMRMDS-UHFFFAOYSA-N 441.487 4.821 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=S)Nc3ccc(C)cc3)cc2)cc1 1772734019 UGXPINGOABZAEU-OLRXRAKTSA-N 445.544 4.943 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 1772791088 YMSSVNLCQGQFOI-LJQANCHMSA-N 442.254 4.868 30 10 IJEE Cc1cccc(OCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)c1 1859656961 LDOMPSXPNBAXHS-UHFFFAOYSA-N 439.519 4.933 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(OCC)c1 1861342366 FBJURGQAAPFCRA-XMMPIXPASA-N 440.584 4.609 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1Cl 1862402942 KZGKOUVSPAYTKA-NRFANRHFSA-N 443.927 4.662 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc2c(c1)CCCN2C 1862422007 USPCNXGHAOLWOU-JLCFBVMHSA-N 440.490 4.724 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862449150 DJKMBLFEWVTOEA-FQEVSTJZSA-N 441.911 4.895 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCO)cc1 1862546359 WCVQYRRYDABOJP-XMMPIXPASA-N 433.548 4.650 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1F 1862639270 UVVAWKQVDMJYGM-CMJOXMDJSA-N 447.462 4.879 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1862649877 IOGYGFGFTFOXDT-XMMPIXPASA-N 446.522 4.899 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862686720 CXPJCXBOZDMMMO-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862713294 LWRKFWJOZDTGHL-DEOSSOPVSA-N 437.499 4.692 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862760190 IRMZFIZQKUREMM-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE CCCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccs2)C1=O 1863107714 CPXKGVLLHSWUEA-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)c1 1863315095 COCNYHGCSOJVPE-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2)=C(c2ccccc2Cl)C1=O 1863447294 JIZGBJWXCOQXIK-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2cccnc2)n1 1868572624 FGPRYHISIQLWRN-DEOSSOPVSA-N 436.523 4.637 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H]2C(=O)NC2CCCCC2)nc(-c2ccccc2)n1 1869196252 VZJHEMKTWODEBP-QHCPKHFHSA-N 445.611 4.740 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccccc2C(C)C)c(C(C)(C)C)c1 1870144388 ANPXHNPSAFJJIM-UHFFFAOYSA-N 431.540 4.886 30 10 IJEE COCCCn1cc(OCC=C(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870166458 VSCZBNYFXHWHNW-UHFFFAOYSA-N 441.597 4.714 30 10 IJEE C=CCOc1cn(CCCCC)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870385956 UESBSUBCSIFIEX-UHFFFAOYSA-N 429.992 4.579 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN(CC)CCO 1870770522 OXEBDIVNPWQERK-UHFFFAOYSA-N 428.617 4.910 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871885678 BIEHSLBNOOSGOP-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCC 1871959184 LGSXPULCSUDGPB-KBXCAEBGSA-N 435.417 4.965 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872423458 SBVZDCRRGGMJGT-FQEVSTJZSA-N 438.952 4.628 30 10 IJEE N#C[C@H](C(=O)c1ccccc1Br)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774290 NDDWRZSGUGEQSR-CQSZACIVSA-N 441.306 4.834 30 10 IJEE C=CCOc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 1873719285 PVKYPJPMHWUSCA-QFIPXVFZSA-N 427.504 4.607 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874223188 XTVBTTQPGSYLFD-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)c1OC 1874443216 VYSKRXNCEGNIKG-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccccc1O 1874477932 LAOQCDMVJYLRNW-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)C)cc1 1874510685 VKENADCIRJUFQD-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)NCc1ccccc1 1874577184 AIVMMAZVDRPBIA-BUHFOSPRSA-N 435.907 4.940 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1 1874596913 JTUGTYGLKXXVRX-WUXMJOGZSA-N 435.451 4.757 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)c(OC)c1 1874599015 QPKXWORQHWGCBQ-JLHYYAGUSA-N 431.488 4.926 30 10 IJEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Br 1875134599 AMKSGTWNDJXHRW-VMPITWQZSA-N 447.325 4.530 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1cnccn1 1875181373 CDSKYWOAVYOJBS-GQCTYLIASA-N 438.867 4.571 30 10 IJEE CC(C)N(CC#CCNC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nn1C)C(C)C 1890470468 WLNYWCHWYLCFMB-UHFFFAOYSA-N 434.628 4.987 30 10 IJEE Cc1cc(C#N)ccc1C[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951963113 QOQXMYUNEJZKMS-HHHXNRCGSA-N 440.499 4.791 30 10 IJEE C#Cc1ccc(C2CC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)C2)cc1 1952468697 AXRQPFDBSGBKSM-UHFFFAOYSA-N 437.495 4.907 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)CC1 1984692415 NQLWKMPXDOHROV-DFBJGRDBSA-N 445.563 4.702 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](N)c2c(Br)cccc2Br)C1 1991984239 QXZAVDAQLZZNJB-CQSZACIVSA-N 446.183 4.825 30 10 IJEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2Br)cc1 2080080699 YECCHMKYUKCKFQ-GOSISDBHSA-N 428.330 4.884 30 10 IJEE Cc1cc(=Nc2cc(Br)c(Br)c(Br)c2)c(C#N)c[nH]1 2095445182 DDZGRWMYNORCAL-UHFFFAOYSA-N 445.940 4.715 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163304807 FGZAZEMDKMHOAC-JOCHJYFZSA-N 428.349 4.952 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181141060 HVBLTMBNYMSTTA-NVXWUHKLSA-N 436.350 4.733 30 10 IJEE O=C(NC[C@H](NCc1cc(F)ccc1C(F)(F)F)C(F)(F)F)OCc1ccccc1 2181262306 XTIZYNQASLLRBS-INIZCTEOSA-N 438.343 4.791 30 10 IJEE CC(C)(C)OC(=O)NCC1(C[C@@H](N)C#Cc2ccccc2Br)CCCCC1 2235746192 ILMXBLJVEPFDBV-SFHVURJKSA-N 435.406 4.993 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccccc3OCc3ccccc3)s2)OC1(C)C 2255703979 AQJQAYHZHVROEA-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CCC1)CC2 2267456379 IEUBSQCFOGONOE-UHFFFAOYSA-N 442.365 4.939 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 2296082465 FQBWXBMYQJLFMV-YLJYHZDGSA-N 425.550 4.646 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2296222388 RHKAUJBDQOHBKA-RNQOJCNYSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@H](O)C#Cc2ccc(Br)cc2)CC1 2296277092 OMDCTQKHGLZGQL-BLIXFSHQSA-N 440.353 4.585 30 10 IJEE Cc1c(C=C2SC(=Nc3ccccc3Cl)NC2=O)c2ccccc2n1CC(=O)O 2297578321 QZVZBGGXRROECZ-UHFFFAOYSA-N 425.897 4.579 30 10 IJEE CCCN[C@@H](C#CCSC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2299620969 FPEMRINRPLPJDM-DHLKQENFSA-N 446.657 4.565 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1 2314478643 VUXWMQPMSJEXCF-HSZRJFAPSA-N 447.922 4.605 30 10 IJEE CC[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2317359326 ZUKYXIITZMQQKY-UKBCRRFPSA-N 432.370 4.797 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1ccc(C)cc1C 2321059106 OBUGISSPZLICAY-UHFFFAOYSA-N 449.580 4.635 30 10 IJEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)C1 2321164845 QHRKULJJXWJWFS-HOYKHHGWSA-N 445.560 4.655 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(CCOc1ccccc1)CO2 2322038313 IPOXIJLSSPUGAK-UHFFFAOYSA-N 431.463 4.981 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)cc1 2323228668 CEYRNVMPXAVNTR-UHFFFAOYSA-N 446.430 4.685 30 10 IJEE CCOc1cc(C=NNc2nnc(C(C)(C)C)c(O)n2)ccc1OCc1ccc(C)cc1 2323280056 HGXWFEHOOMPMRF-UHFFFAOYSA-N 435.528 4.607 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)c1 2325574690 BDFPLKSJGFBRSK-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccn1C 2325883883 GNDQPXRUIPEJCG-UHFFFAOYSA-N 431.565 4.942 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(CC)cc1 2325921957 SAMUQMYJVLMAOJ-QFIPXVFZSA-N 447.608 4.741 30 10 IJEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)NC2CCCCC2)c1 2330852021 APUHZBUJHAMDBR-UHFFFAOYSA-N 427.618 4.598 30 10 IJEE COc1cccc(C=Nn2c(SC)nnc2[C@H]2CCCO2)c1OCc1cccc(C)c1 2330881520 LQJYJWBKZWZNQJ-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)cc1 2330910497 NAFCFRLDUQGXFT-FQEVSTJZSA-N 425.533 4.509 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 2331016360 YKWFKINPMVBCFN-SFHVURJKSA-N 432.908 4.802 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccccc1OC(C)C 2331648762 BYTJDVRSKMWWNF-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE C[C@H]1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339536515 LJHUMVDUXYRHBF-PKOBYXMFSA-N 443.397 4.926 30 10 IJEE N#Cc1cc(F)cc(COCc2cc(I)ccc2Br)c1 2367284719 MERPYCVRHGNRLO-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE COc1cc(OC)c(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(OC)c1 8452993 GLJOMGLVAQLHOA-WGOQTCKBSA-N 441.491 4.677 30 10 IJEE C=CCn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nc2sccc2c1=O 20667242 LTWQHAOBFFKTAN-UHFFFAOYSA-N 449.513 4.934 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccccc3O)n2)cc1 20832420 HHXPZJCFCBYWFA-QKIXXSFTSA-N 438.557 4.591 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Br)cc1 21249655 WHZDZNCRRNKQAT-YJBOKZPZSA-N 440.337 4.852 30 10 IJEE C=CCn1c(O)c(C(=O)c2cc(Cl)c(OCCCC)c(Cl)c2)c(C)c(C#N)c1=O 38616959 JQIZNGYKHIFDIZ-UHFFFAOYSA-N 435.307 4.637 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 39839103 LGSUDYZBOBSFQS-HSZRJFAPSA-N 433.504 4.718 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)S/C1=N/c1cccnc1Cl 39863963 JDAAXBPRVHYZAJ-DDYHDSIHSA-N 445.928 4.551 30 10 IJEE COC(=O)c1ccc(/C=C2\S/C(=N/c3nccs3)N(C3CCCCC3)C2=O)cc1 39865092 HJZKWUCMVREGEO-GLJSPWRRSA-N 427.551 4.866 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)c1 59014563 KSDXNNQSSOOMPI-LSFURLLWSA-N 449.367 4.905 30 10 IJEE C=CCOc1ccc(NC(=O)CNc2cccc(C(=O)N(CC)c3ccccc3)c2)cc1 66090785 CWTUBICWIGJTNQ-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1c1cccnc1 79307784 MRLYYDSAWQANQH-AWRGLXIESA-N 444.922 4.549 30 10 IJEE CCOc1cc(/C=C\C(=O)c2nc3ccccc3s2)cc(Cl)c1OCC(=O)N(C)C 96861764 ZVGVPUVJIPVOLN-KTKRTIGZSA-N 444.940 4.712 30 10 IJEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2O)cc1 169923980 CJRDWXBAOVHTPU-XMMPIXPASA-N 429.472 4.503 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 169957866 YYBFCYXMSZTYCD-DEOSSOPVSA-N 429.472 4.503 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(O)cc2)cc1C 169960286 GRORDDBWRPQTNN-DEOSSOPVSA-N 441.483 4.727 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(OCC(C)C)c2)cc1 170040196 AECCNXZAXOHALD-QHCPKHFHSA-N 437.536 4.509 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2)c1 170118156 JLGVZNDUGIBBCY-XMMPIXPASA-N 441.483 4.803 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)cc1 170157823 DHTYPIJTXIOBQA-JOCHJYFZSA-N 447.512 4.865 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)c1 170161794 PNNDNOWEYQULQY-AUUYWEPGSA-N 447.940 4.558 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)c1 170170445 QLKSCQHRDOWCQI-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)c1 170197788 BNPYKSWDXJFAFD-JOCHJYFZSA-N 426.428 4.619 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)c1 170205405 KXQGBSLHYUHQEE-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)cc1C 170206397 SRWKKKVPCGNJIP-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1 170231822 SNPXLMJVBFDINC-FQEVSTJZSA-N 425.868 4.701 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1cccs1 170269881 DEKHOSDOYHBBMV-HXUWFJFHSA-N 434.473 4.743 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)[C@H]2c2ccco2)c1 170278884 SCOGUFNNAFWNSU-OAQYLSRUSA-N 445.427 4.826 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)cc1OC 170285909 XZLQILKWRWWGCH-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299339 WRYNAKAMFGMWPR-LJQANCHMSA-N 440.358 4.557 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1ccco1 170422059 DSNIWORKVAKNES-FQEVSTJZSA-N 425.843 4.893 30 10 IJEE CC(C)CCNC(=O)c1c(N)n(N=Cc2ccc(C(C)C)cc2)c2nc3ccccc3nc12 254438743 DPKHBMHMGVBZPB-UHFFFAOYSA-N 442.567 4.948 30 10 IJEE Cc1ccc(C)c(NC(=O)c2c(N)n(N=Cc3cccs3)c3nc4ccccc4nc23)c1 254555653 CSRHSGOCVADJNV-UHFFFAOYSA-N 440.532 4.980 30 10 IJEE N#CC1CCC(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 441146719 KPPJEAZYDFEURS-UHFFFAOYSA-N 440.341 4.761 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 460787215 BEMVRQGJAJLGNR-HSZRJFAPSA-N 448.567 4.834 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 505668692 AHZASOWKEWMPJA-UHFFFAOYSA-N 428.414 4.587 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 508815791 DAXXEVRUUXJCFE-YJBOKZPZSA-N 449.502 4.821 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@](O)(C(F)(F)F)C1 508915074 WEBHCFCYZLCTGQ-ZHRRBRCNSA-N 446.473 4.651 30 10 IJEE COc1ccc(C(=O)Nc2cccc(OCCN[C@@H](C)c3ccc(C#N)cc3F)c2)cc1 512652902 BXHMKAXKZQRTOI-KRWDZBQOSA-N 433.483 4.688 30 10 IJEE C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)N(C)Cc1c(F)cccc1Cl 517063112 BZEPBKAKAPRZRS-OAHLLOKOSA-N 438.890 4.997 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)c2cc(F)ccc2F)nnc1[C@H]1COc2ccccc2O1 517357148 BFYHYBBWXLZIFV-BFUOFWGJSA-N 443.475 4.618 30 10 IJEE N#Cc1ccccc1NC1=C(SCc2ccco2)C(=O)N(c2cccc(Cl)c2)C1=O 526667120 JQVCKLQWPGVQNN-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 577195048 ROACYRBFSGKNHP-HRAATJIYSA-N 437.475 4.535 30 10 IJEE Cn1cc([C@@H](NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C(F)(F)F)cn1 582465896 KVHVGUVRXRNDAK-NWDGAFQWSA-N 448.289 4.645 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 584732820 KTAIIRYMTVDZDK-JOCHJYFZSA-N 447.583 4.696 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC 726319525 JRNFKSKRCQFGMI-JXFKEZNVSA-N 431.540 4.797 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\[C@H](C)c1cccs1 733200102 ABVJRLKKJAACBK-HYPBDSNUSA-N 445.997 4.815 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 733202649 UTEVJINXIGNAFT-LJQANCHMSA-N 443.931 4.771 30 10 IJEE Cc1ccc(OCCC(=O)OCc2cc(Cl)ccc2OCC#N)c(Br)c1 735346542 AYMKDKJRUUDUAC-UHFFFAOYSA-N 438.705 4.826 30 10 IJEE COc1ccc(Br)cc1-c1nc(COC(=O)Cc2cccc(C#N)c2)cs1 750429455 DFGLCSSLZCYGLV-UHFFFAOYSA-N 443.322 4.739 30 10 IJEE CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccccc1 787043989 AXFPOVPRMCXZNT-VQTJNVASSA-N 445.544 4.899 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccsc1 790285037 MWRBHOFKPGHDNX-GOSISDBHSA-N 429.567 4.683 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Oc3ncccn3)cc2C)CCCN1C(=O)OC(C)(C)C 790515077 SWOVDOXWUFMMSP-DEOSSOPVSA-N 438.528 4.862 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCCc2ncc(-c3ccccc3)o2)CC1 915508575 FCUXYDUSUYUVAO-FAFRJYIDSA-N 437.540 4.527 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(F)ccc2I)cc1 1128035476 SEBFDMCXPJMONI-UHFFFAOYSA-N 426.250 4.513 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 1128267413 GXFNZHFPGJSVEY-UHFFFAOYSA-N 448.910 4.914 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C(F)(F)F)cc1 1128866162 HNXOSDOHMVEZSG-MRXNPFEDSA-N 447.287 4.978 30 10 IJEE C#C[C@H](NC(=O)c1cc2cc(OC)ccc2nc1Cl)c1ccc(Br)cc1 1129730900 NCDDVKOFURBGJK-KRWDZBQOSA-N 429.701 4.764 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2nc(O)n(C(C)C)c2c1 1141542331 FHMMHRBRKIMUFZ-UHFFFAOYSA-N 427.464 4.943 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 1154171025 DJKSAVFBANZGRD-ZEQKJWHPSA-N 430.479 4.694 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 1158884345 TVJAVROJNGDJTG-YOEHRIQHSA-N 434.968 4.985 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)C1 1177388779 CBMNDEGSUPBUNU-CLOONOSVSA-N 445.563 4.702 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2c3ccccc3C[C@@H]2C)cc1OCC 1199800617 HMOHCWNVJLPXIL-KRWDZBQOSA-N 445.401 4.953 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCOc3cc(F)ccc3C2)n(-c2ccc(C#N)cc2)n1 1205103855 ARVWUVSTCICLDE-UHFFFAOYSA-N 433.487 4.607 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(Br)c2F)c1 1209214500 VKACPWAQJFNTLP-UHFFFAOYSA-N 444.325 4.965 30 10 IJEE Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1 1219113111 GYPDNJVPTUNSFN-LBPRGKRZSA-N 426.274 4.562 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)cc1 1264263799 KMWLSTKDELULEE-UHFFFAOYSA-N 448.563 4.914 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 1264868188 ANHYIYKCSCPPEB-OIRDZHBESA-N 426.601 4.963 30 10 IJEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)C1CCCCC1 1264868381 IGZQJUSYRNWNSU-IBGZPJMESA-N 433.980 4.794 30 10 IJEE C=CCN(C(=O)c1cncc(-c2ccc(C)cc2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1269214158 DXPPMTXUKBDVQB-VWLOTQADSA-N 428.532 4.860 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F 1272913443 UXANSSIOTJZQFD-UHFFFAOYSA-N 429.167 4.934 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCC(C)CC1 1286282524 RHCYFEDSUGKFMH-PSCUFVCCSA-N 445.405 4.761 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1286347012 FPKPBONHXGXZGJ-HXUWFJFHSA-N 443.389 4.690 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1cc(Br)ccc1OC 1286516657 JUHGTIXYVKTVFW-YCRPNKLZSA-N 431.378 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1Cc1ccc(OC(C)(C)C)nc1 1286525426 VSRVMLHXLSGFDE-AREMUKBSSA-N 447.558 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1c(C)noc1C 1286529380 ZSYPLERQWYZQTB-ICIBFYRBSA-N 439.604 4.597 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286604443 KWSWTNUXCVGKBF-HXUWFJFHSA-N 432.996 4.975 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1286645753 GPGPWTUGNOQTHM-OAQYLSRUSA-N 426.561 4.522 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccs2)N(C)C)CC1 1286651177 VNCWEEKVFJVRSH-SFHLNBCPSA-N 443.661 4.718 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1286654040 HZKBIIJTZCUTID-KESTWPANSA-N 428.552 4.893 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286669158 XEXRFKHCDQIUPE-PGRDOPGGSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1nccs1 1286747278 HBRLRDNMCVFXDH-UHFFFAOYSA-N 432.578 4.770 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1([S@@](C)=O)CCC1 1286752726 FZIIQBBNUHSDCV-SSEXGKCCSA-N 444.670 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncccc1N(C)C 1286752825 JEJCXSVSBAGODF-UHFFFAOYSA-N 430.600 4.930 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC1(C)C 1286755534 CQISXRVIUKFYJL-INIZCTEOSA-N 431.378 4.941 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@H](CC(C)C)C2)cc1 1286796854 PCPOKZMUJQTHKT-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1286835286 RNFHDYXYJWSFQI-RBUKOAKNSA-N 430.593 4.932 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C)C1CCCCC1 1288528693 BEWKBMYOKGSONX-FQEVSTJZSA-N 447.631 4.743 30 10 IJEE C[C@@H]1C[C@H](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1291016400 DURXESFAGGZOGU-PMAPCBKXSA-N 427.980 4.934 30 10 IJEE C#Cc1cccc(N(C)C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1292929060 BCAUTIRZNNKMAL-UHFFFAOYSA-N 438.527 4.948 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCCN1CCCCC1 1300286577 KWFSKSAKAYJJKP-SFHVURJKSA-N 431.987 4.852 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1nc(C)c(C)s1 1300441759 YVTGRMTUZWJRML-UHFFFAOYSA-N 425.627 4.661 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300851397 SFCPROPPGYKJAV-IBGZPJMESA-N 447.421 4.870 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 1301066531 RIWQTSZHCGOOGV-GUDVDZBRSA-N 430.980 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]1c1nncn1C 1301141599 PDWIFVFHZNACBB-GOSISDBHSA-N 425.968 4.671 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCCCC1)c1ccccc1 1301164064 PXUXVIOJMUZMJJ-NRFANRHFSA-N 430.556 4.666 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1301198198 YWYYPMZGJRUXLM-OALUTQOASA-N 438.563 4.764 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1301208068 NENDQFLDYIFUIK-UHFFFAOYSA-N 447.370 4.841 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1301214886 KFENEMCWXQOBEG-UHFFFAOYSA-N 433.556 4.666 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)C[C@H](C(F)(F)F)O1 1305148052 GXFSFFGSNNQYFJ-OXJNMPFZSA-N 447.505 4.943 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSc1c(C)[nH]c2ccccc12 1305934858 PLVKYEZKSXUATI-KRWDZBQOSA-N 437.993 4.721 30 10 IJEE Cc1nc2[nH]c(SCc3ccc(C#N)cc3OC(F)F)nc2cc1Br 1307312009 HVGQLHRNBXZOQZ-UHFFFAOYSA-N 425.258 4.794 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2cccc(Br)c2)CC1)c1ccccc1 1312333800 DGRPROLXPNUVPY-OAQYLSRUSA-N 428.374 4.988 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1313003114 XDWJXWVUXVYTEJ-OWSLCNJRSA-N 447.542 4.856 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)CCCN1C(=O)OC(C)(C)C 1351199214 FFUGKONSJRGREU-SANMLTNESA-N 448.567 4.618 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1OC 1356034419 JAUCPTGFDJWBLO-MHWRWJLKSA-N 442.515 4.842 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCOC1CCCCCC1 1358882164 UQVILSFZHDOZTK-IBGZPJMESA-N 440.588 4.550 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1358933142 JJFONZUPBXSTFN-DENIHFKCSA-N 447.410 4.505 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1359061355 ZQYJBDRSQDSLSI-OALUTQOASA-N 445.032 4.893 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1359083782 QVEDKYWUSAPDAN-CQSZACIVSA-N 443.748 4.510 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359174310 ZSVAUBKRDSRGOU-QUCCMNQESA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2nccs2)CC1 1359182467 HMAJUTGNFWDYLB-UHFFFAOYSA-N 444.649 4.639 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1359199962 NNXWDRAUWWQRHC-UHFFFAOYSA-N 437.613 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cc(C)no1 1359267674 NWGCCKCWBYHOKO-UHFFFAOYSA-N 432.553 4.900 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1CCc1csc(-c2ccccc2)n1 1359278151 JXIGWEOYERWLDL-UHFFFAOYSA-N 425.602 4.581 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C 1359342533 ZWNRHBKPZRPAKS-GUDVDZBRSA-N 449.665 4.547 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(C)C)C1)c1cccnc1 1359747640 FTOTUVDCFOTPHJ-ZEQRLZLVSA-N 444.583 4.513 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 1443693582 WVLPEBBRFBSJMO-RTWAWAEBSA-N 444.959 4.959 30 10 IJEE C=CCC[C@H](NC(=O)CNC(=O)c1ccccc1OCC)c1ccc(C(F)(F)F)cc1 1446572394 VQAQZPPEVPKEAG-IBGZPJMESA-N 434.458 4.658 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 1468941182 YTXZHGMFVJJGBM-HXUWFJFHSA-N 440.590 4.775 30 10 IJEE C=CCC1(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CCOCC1 1469920925 LGBFNGMCFCFOLW-UHFFFAOYSA-N 449.334 4.806 30 10 IJEE C#CCN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@H]1CCCc2ccccc21 1472071341 YDTAGHVEJLALQC-NRFANRHFSA-N 436.968 4.552 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3)C(=O)OC 1472938138 JBUUFJUMMJPVSW-KRWDZBQOSA-N 440.590 4.763 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccc(F)cc1 1476099190 XJELPBPMAPQYHL-QHCPKHFHSA-N 436.531 4.526 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)[C@@H](CC)CO 1476728651 JDTLYKZZBHOZTD-SFHVURJKSA-N 433.346 4.819 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc2c(c1)OC(F)(F)O2 1476729361 TWESNGVTADIWPM-UHFFFAOYSA-N 441.228 4.657 30 10 IJEE C#CC[C@H](NC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1478244913 ASRWNEAYEIMQAU-MCIONIFRSA-N 440.334 4.563 30 10 IJEE CS[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C#N)c1)C(C)(C)C 1505179487 HZCCWEHPJNZNRQ-NRFANRHFSA-N 434.613 4.550 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1507556168 IMYOADFKWYXEMX-IBGZPJMESA-N 429.971 4.606 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)c1ccccn1 1507693767 GLASWYLMMAEXAS-UHFFFAOYSA-N 445.611 4.987 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1507827300 FXKUXZZTWMTCRF-MRXNPFEDSA-N 426.590 4.917 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1507872208 BEMRFISXDQEBHO-IAGOWNOFSA-N 443.762 4.767 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC[C@H]1C[C@H](F)C1 1507999264 YRHLELGDYJZKRO-MEMLXQNLSA-N 435.547 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1508005961 CYVSPJPWXKIRFN-KDURUIRLSA-N 431.650 4.543 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)CN(C)C 1508410209 DNGHIQVTRWRLES-OAHLLOKOSA-N 445.036 4.997 30 10 IJEE C=CCN(C(=O)c1nc(-c2ccccc2F)oc1C)[C@H](Cc1ccccc1)C(=O)OCC 1516157691 YZAVVDHLAAOKHO-OAQYLSRUSA-N 436.483 4.592 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(I)ccc2C)cc1OC 1516898818 KRZBYUBLHZLJBM-YFHOEESVSA-N 449.288 4.825 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1cccnc1)C(C)C 1518430689 DNNCBAFEAPXZQG-QFIPXVFZSA-N 430.556 4.528 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 1519977991 XSIBLHISTXNVQO-UHFFFAOYSA-N 430.327 4.709 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 1520473558 SSMLWUHTPYLUPG-IBGZPJMESA-N 444.457 4.513 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(-c2c(F)cccc2F)s1)c1ccc(Br)cc1 1528087517 FGBFPSNZAHGQKM-OAHLLOKOSA-N 433.277 4.955 30 10 IJEE CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)Cc1ccccc1CC#N 1531577897 DUTPESDQCMUCPP-UHFFFAOYSA-N 434.517 4.848 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 1536323314 BZUMQYVOTUZETJ-HHHXNRCGSA-N 428.576 4.780 30 10 IJEE CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1F 1538176573 AVVVFQKQBOMCBN-SPLOXXLWSA-N 448.325 4.871 30 10 IJEE C=CCc1cc(C(=O)Nc2nc3ccc(CN(C)C4CC4)cc3s2)cc(OC)c1OC 1538701757 QOAUVTMZVRAEDN-UHFFFAOYSA-N 437.565 4.889 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1539052911 WBSVLEWYMDZOLJ-XMMPIXPASA-N 444.627 4.569 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C[C@H]1CCCO1 1539055875 KKUVPBSYDAVVBR-LJQANCHMSA-N 445.405 4.825 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H]1CCCN(CC(C)C)C1 1539385379 YZSOUUNUQUGKOY-GGAORHGYSA-N 439.623 4.939 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1539525409 ZMCMVYPURKEFAQ-NRFANRHFSA-N 445.032 4.609 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1539616911 SNCRDKWAFLWCIJ-XPEFGHIFSA-N 428.552 4.631 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](SCC)C1 1539735722 OLPSIROCCIFYPJ-GOSISDBHSA-N 436.025 4.698 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Cl)s1 1539752476 PDOARTZLLIOCBN-UHFFFAOYSA-N 438.022 4.578 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(C)(C)C)CC1 1539878279 YOYBRUJBBNYOHJ-UHFFFAOYSA-N 430.618 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](CNC(=O)c3ccccc3)C2)nnc1C(C)(C)C 1539931862 QYVPEYBIYRNLGY-HXUWFJFHSA-N 437.632 4.824 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1539952588 HEJGQICFMQSEPZ-IBGZPJMESA-N 444.023 4.943 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1540013963 FENMHRCNZPGCMM-FQEVSTJZSA-N 435.597 4.898 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCCSC2)C1 1540884188 LUDWHDOOCODXHO-KSEOMHKRSA-N 426.630 4.745 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)n[nH]2)c1C 1542203792 TVESHEWIQPTMFP-UHFFFAOYSA-N 436.516 4.899 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCC(F)(F)F 1545505453 GCLPFZMKLXOEOT-QGZVFWFLSA-N 434.510 4.722 30 10 IJEE C#CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@@H]1CCCc2ccccc21 1558540407 BXLBPBHIHDYVMK-HSZRJFAPSA-N 426.520 4.696 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(C(F)F)nc(SC)n1 1559146299 ZAMYJBHZYGGTQD-UHFFFAOYSA-N 435.525 4.952 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)c1ccc(F)c(F)c1 1564597855 RLVMRSKHUSCMDE-WOJBJXKFSA-N 437.531 4.869 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 1564913467 LQHFCLBUWGHXND-OAQYLSRUSA-N 446.378 4.648 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1565338806 GNFAIBZAFFUDQP-OAQYLSRUSA-N 449.636 4.571 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(Br)cc1I 1583868840 GGKHLUUACMQNPF-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE CC[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(Br)cc1 1584792324 HQPKHWMEMFGQRQ-HXUWFJFHSA-N 426.358 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(SC)CCC1 1587661458 BTJBLMBYEXTNRD-SFHVURJKSA-N 447.048 4.995 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(C)nc1 1588186298 VOMZVZBLXNADPD-UHFFFAOYSA-N 448.574 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC1CCN(CC)CC1 1588198477 VGFIBPDKCZIBLG-UHFFFAOYSA-N 445.655 4.828 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCC(C)CC1 1589570351 UIFDAIADWKJQGW-AJEXQWDKSA-N 442.579 4.992 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C(C)C)C1 1589570889 XDSMAEDJMGBFJI-RQTOMXEWSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCOC1 1589615868 VFTYGWAYZKNYFI-FQEVSTJZSA-N 436.556 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Oc1cccc(F)c1 1589675949 IXGMDLKALVDFSY-MRXNPFEDSA-N 429.565 4.643 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1589722086 QKBXNUNYXYIYDY-INIZCTEOSA-N 442.361 4.614 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(C)(C)C)CC1 1593696715 WJKNUVMPFDNTRL-HSZRJFAPSA-N 439.648 4.723 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCOC)CC1 1594064248 LEHXUUBUYQAFNC-UHFFFAOYSA-N 425.758 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2CCCOCC(F)F)CC1 1594218764 RTXZUIPMHDRWIO-UHFFFAOYSA-N 427.499 4.568 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(OC)C1CC1)C1CC1 1595033536 KDWISBBPRSQTPM-JOCHJYFZSA-N 445.405 4.986 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1Cc1cscc1C 1595084694 MDUHJUMYOPESSF-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCC1(C)C 1595267635 YWZKJLREJULQJC-FQEVSTJZSA-N 439.604 4.612 30 10 IJEE C#CCN(C(=O)/C=C/c1ccccc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1596147570 WNRNNOWIWDSCOY-ZHACJKMWSA-N 436.474 4.580 30 10 IJEE N#CC(CCN(CCN1CCOCC1)c1ccccc1F)(c1ccccc1)c1ccccc1 1620499681 AJRDCRGXUIJVKC-UHFFFAOYSA-N 443.566 4.864 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1ccccc1 1625196725 HJEATSHVBRZMDB-WIYYLYMNSA-N 438.572 4.850 30 10 IJEE C=CCN(C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@H](C)COC 1626256291 VCAWNSSPNFGNDB-GFCCVEGCSA-N 444.372 4.624 30 10 IJEE C#CCN(CC)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(C)CC1 1626576292 YKFKKMAJNNLPLR-UHFFFAOYSA-N 444.575 4.956 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC3(Cc4ccccc4Br)CC3)cc2n1 1627664187 FZQCZLIFGUOUSJ-UHFFFAOYSA-N 425.330 4.882 30 10 IJEE C#CCN(C(=O)c1cc(C=O)sc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1628057828 LEQUIKCIJHMETO-OAHLLOKOSA-N 438.730 4.576 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 1628527391 DEJGECBVPJCDBR-OALUTQOASA-N 440.569 4.721 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 1633817876 XHACOFATDHFLOK-UHFFFAOYSA-N 439.556 4.786 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1644905227 GGDDVZYZWGAOLC-GOEBONIOSA-N 428.989 4.754 30 10 IJEE C=CC[C@@H]1CCN1C(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1648409295 FGZYLKZHJTZVFJ-MRXNPFEDSA-N 439.364 4.514 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccccc2CN2CCC(CO)CC2)cc1OC 1650683016 VVQYIQCNSDFWBO-UHFFFAOYSA-N 430.976 4.730 30 10 IJEE C#CCCOc1ccc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 1650872437 LSEVKTKGYGFUDQ-XMMPIXPASA-N 437.584 4.510 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)C)nc2sc(-c3ccccc3)cc2c1=O 1652569817 VMMUQFPIDAEONN-UHFFFAOYSA-N 427.595 4.565 30 10 IJEE CN(Cc1c(OCc2ccccc2)ccc2ccccc12)[C@@H](C(N)=O)c1ccc(C#N)cc1 1655726166 CXMQSOOMBRMTFM-HHHXNRCGSA-N 435.527 4.949 30 10 IJEE Cc1cc(C(=O)CSc2nc3c(cc2C#N)CCCC3)c(C)n1NC(=O)c1ccccc1 1656197384 HHYQFJHWVUUZLX-UHFFFAOYSA-N 444.560 4.609 30 10 IJEE C#CCN(Cc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CCOc2ccc(Br)cc21 1658568808 GLAVUJMGFVVDGB-FQEVSTJZSA-N 429.314 4.933 30 10 IJEE COc1cc(C)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C 1661560390 ICUDEXARDBCKRN-UHFFFAOYSA-N 438.524 4.714 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)c1 1667082817 JRJJPVYATMUIGW-OAQYLSRUSA-N 441.572 4.588 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)[C@@]12CCCO2)c1ccc(C(F)(F)F)cc1 1670826523 HHHKIRFTRFOEPA-QEUVDIPISA-N 426.479 4.739 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1nc2c(OC)cc(Br)cc2s1 1673667197 PNBVRNCEYASMTF-UHFFFAOYSA-N 436.331 4.923 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 1674131577 FSYKLPKGMGQXQB-UHFFFAOYSA-N 441.528 4.672 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1 1675730923 UYYQLQVMRLQZAF-RPWUZVMVSA-N 425.548 4.596 30 10 IJEE Cc1nc(NC(=O)N2CCC[C@@](C)(C#N)C2)sc1Cc1cccc(Br)c1 1677552163 CGOJMUHQVLPQRD-IBGZPJMESA-N 433.375 4.962 30 10 IJEE C=CCC[C@@H](NC(=O)NCCC(=O)N1CCC[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1680632960 ILAWBWLKTLLAHI-QFBILLFUSA-N 425.495 4.661 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CCCC1(C)C 1683800635 VSDKVIGDFISPLU-DENIHFKCSA-N 426.605 4.780 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 1683822822 DNKPEEDVBKYKAR-XTJBDQBJSA-N 435.999 4.949 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)c1ccc(F)c(F)c1 1686173817 PMTBTDFZKAFFKY-PKTZIBPZSA-N 431.527 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN1CC 1690192494 ALVYTPHRTYVWIR-TVZXLZGTSA-N 435.616 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690247813 GQUBVDDKCHPYHV-KHUIQGCPSA-N 433.600 4.591 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CC1CCN(c2ccncc2)CC1 1690268524 OJOWZNFYKKLMKT-UHFFFAOYSA-N 448.590 4.722 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccc(F)cc1)C1CC1 1690276198 PZRLFKRMYRBXBB-UHFFFAOYSA-N 444.352 4.930 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1690369586 QCDWQMFTRTZBPU-UHFFFAOYSA-N 441.583 4.693 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1690445069 QZXFAKRQHZSELN-PQNGQFLHSA-N 430.600 4.619 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690477553 BSTXQJVXNNEBDD-UHFFFAOYSA-N 438.963 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC[C@H](C)N1CCCCC1 1690521123 QZQQCMHRCDNICW-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1692728067 BTYNBOCLHYTOSF-UZUQRXQVSA-N 444.986 4.600 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1694049028 BTRNJEWJHUUQIE-IBGZPJMESA-N 445.615 4.832 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1705695680 JRHNCYPAEXQQOQ-DYESRHJHSA-N 443.954 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C)CC1 1705708774 HCQZEEATWCTYLW-YDHSSHFGSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1705770176 UJRYAGFSKVVBPH-UHFFFAOYSA-N 435.547 4.785 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1705789840 ZCEICWDVVDYTMX-IBGZPJMESA-N 448.615 4.534 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1cccc(F)c1 1705810207 QYIQTPNVOHQYGL-BVSLBCMMSA-N 428.552 4.839 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](c1cccs1)N(C)C 1705834091 DHIGCFXABJOMNC-AEFFLSMTSA-N 429.565 4.544 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C1CC1 1705857050 OGKNPUXYGHKSBT-UHFFFAOYSA-N 428.334 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1Cc1ccc(OCC(F)(F)F)nc1 1705872996 SNFWANWUHQSOJQ-UHFFFAOYSA-N 443.473 4.816 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccs2)cc1 1705911178 AOGFEECWBRKJDO-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 1705915728 LMYFSNRBRXPDEW-OLKYXYMISA-N 438.616 4.662 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1nccs1 1706079285 HUENDKOVSBIWLR-AWEZNQCLSA-N 433.006 4.519 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1CCCCO1 1712792738 CGFKVEJWSBEUJE-NQIIRXRSSA-N 427.618 4.744 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2CCOCC2)CC1 1722574174 GXDLJPCOXPHKQC-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1722582130 LSJFGDIJRGXXQH-JOCHJYFZSA-N 436.522 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H]1CCCCO1 1722584121 BHPDDSZZIKBTFW-FQEVSTJZSA-N 434.588 4.943 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)C2CC2)CC1)c1ccccc1 1722595489 WRWZZABOVRLVQU-UGKGYDQZSA-N 435.616 4.647 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1722602443 AWYJISGWWGUDDF-JXFKEZNVSA-N 447.505 4.949 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1722608575 HPTHONASGSWTCY-KRWDZBQOSA-N 429.996 4.700 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nnc(C(C)(C)C)s1 1722633618 WMFOXSREORFPBD-UHFFFAOYSA-N 433.585 4.621 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCC[C@@H]1C)C1CC1 1722653470 DDIIYEPYAIICLP-AFMDSPMNSA-N 438.616 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccoc1 1722662549 YWSCTGSTCMXRPJ-UHFFFAOYSA-N 436.537 4.858 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)CC(C)(C)O1 1726662145 FKQKVFPAJBNXHW-QGZVFWFLSA-N 435.597 4.860 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1726964329 BZPHZRVNAXXZRF-GLDPYIMESA-N 444.624 4.569 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCS[C@@H](C)[C@H]1C 1740572501 MULMHFNMUZEJTE-CVEARBPZSA-N 433.419 4.841 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740820703 NVOSMYDRRFNCHV-OYRHEFFESA-N 437.632 4.867 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](C)C1)c1ccccc1 1740855354 GSFWBJKTBLDCFR-KAMZKSLDSA-N 438.616 4.988 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(C)C)C1 1740876543 UFMLUKJMEUIPHJ-HXUWFJFHSA-N 431.625 4.841 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1Cc1ncc(CC)s1 1740935750 VXXQWJCAJRMCDA-UHFFFAOYSA-N 430.581 4.642 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1741001564 XOMKAQFMMUCVEJ-PXNSSMCTSA-N 449.020 4.750 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccsc1Br 1748674148 PZCJQMDYOMDMMR-ZDUSSCGKSA-N 449.805 4.853 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1748740254 OIKXDNPFGZNOBP-GOSISDBHSA-N 442.972 4.660 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1748759754 OGTIGDPUQLGPLO-UHFFFAOYSA-N 449.643 4.671 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1csc(COC)n1 1748774161 UZWPTAGYJIXYBZ-UHFFFAOYSA-N 443.985 4.534 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)C1CC1 1748902082 HCNIJBPFROFEFC-DSNGMDLFSA-N 444.623 4.853 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC[C@H](C)N1CCCCC1 1748940000 BRRCZBYUBWNSLA-RTWAWAEBSA-N 425.596 4.835 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@H](c1cccs1)N(C)C 1748945680 XMPYVPYSKSWPLX-OAQYLSRUSA-N 437.588 4.689 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1749198946 XZGJBSYIPARQNR-INIZCTEOSA-N 438.373 4.726 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1749223676 XDCQBPIVGMJDJK-UHFFFAOYSA-N 433.478 4.798 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749366737 KQSGPSXXPLAXSU-VQTJNVASSA-N 445.652 4.501 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749401155 VRVWVDNCAQMIEZ-UHFFFAOYSA-N 438.469 4.712 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1749456729 KVZOXQNOJAXAAX-FGZHOGPDSA-N 429.653 4.619 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](C(F)(F)F)C1)C(C)C 1749557964 PNNUTFDLQVPIRV-MOPGFXCFSA-N 425.543 4.633 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SCC)C1 1749746139 AADNKQSNIPYCIY-HXUWFJFHSA-N 427.643 4.848 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CC[C@@](C)(CC)O1 1760214832 CZTASQCKDRIDAM-WZONZLPQSA-N 428.939 4.548 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1760353570 WSQCIKNDAMWQGS-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 1760360285 XQUNTHKNLDTIAW-JOCHJYFZSA-N 426.605 4.939 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1ccc(Br)cc1 1760375218 HVBGXNVATXLZQJ-KRWDZBQOSA-N 439.785 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCNC(=O)[C@H](C)CCC)CC1 1760383333 NEGAWMAHFLWVEU-LJQANCHMSA-N 446.599 4.511 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccc(OCCC)nc2)CC1 1760393131 KCDFDXKHOGELBJ-UHFFFAOYSA-N 447.583 4.808 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)c1c(C)noc1C)C1CC1 1760469918 JCDVGONJZAKLDK-KRWDZBQOSA-N 448.571 4.711 30 10 IJEE CCCC(=O)Nc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC(C#N)CC2)cc1 1763655044 GUDNBZQTILQUPN-UHFFFAOYSA-N 434.588 4.538 30 10 IJEE CCC[C@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N)OC 1763855536 CXSYBXMMFQDZRA-QFBILLFUSA-N 438.601 4.788 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CCCc3ccc(F)cc3)nc12 1859656255 XYQBTDMUZTURQL-UHFFFAOYSA-N 443.482 4.710 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(C(C)(C)C)cc1 1861813432 MMSZWRXVNOVYEM-XZOQPEGZSA-N 430.633 4.816 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1862382929 HWTVVRYACKHCJG-QGZVFWFLSA-N 434.275 4.680 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(=O)OC)cc1 1862419640 WVSVZIPHSGLSQQ-FQEVSTJZSA-N 443.446 4.520 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478716 OYXRUNGBTCULJG-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862501508 DQGVNPOYWUDXPW-HSZRJFAPSA-N 430.479 4.870 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)c1 1862507778 UCLPEDYNNAKVAH-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862534753 XQLUKERYDUDNBQ-XMMPIXPASA-N 427.500 4.776 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C(C)C)cc1 1862645130 AXONNRTVFZOWMS-JOCHJYFZSA-N 441.499 5.000 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862944700 BHBMDTSVQNHNBW-UHFFFAOYSA-N 445.425 4.550 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](c1ccc(F)cc1)C(C)C 1868842202 BAURSGIGUXRYSQ-BJKOFHAPSA-N 440.534 4.633 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(CC)cccc2CC)c(=O)cc1CSC(C)C 1870201783 RDPBVGWAOGHTHY-UHFFFAOYSA-N 428.598 4.818 30 10 IJEE CCCCCCCOc1cn(CCCN2CCOCC2)c(CSC(C)(C)C)cc1=O 1870251280 AQCZTIAPQDVIBJ-UHFFFAOYSA-N 438.678 4.952 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870809225 QTDMERFTCMVEMD-UHFFFAOYSA-N 439.519 4.626 30 10 IJEE CCCCCCCOc1cn(CCOC)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870831734 IVESCDXOAQJACX-UHFFFAOYSA-N 431.533 4.673 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(C)cc1 1870972079 JDLDKRJHJDETKU-UHFFFAOYSA-N 427.589 4.644 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(F)c1 1871251234 UTTFJOHNPQZACQ-UHFFFAOYSA-N 449.526 4.785 30 10 IJEE C[C@@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871253614 DIANSTTUZPUJDK-LJQANCHMSA-N 445.563 4.589 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(Cc1ccccc1F)CO2 1871346903 HTQYBCRGIIBFSG-RMORIDSASA-N 445.446 4.831 30 10 IJEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCN(CC)CC)C4)cc1 1871349338 OYXRLSRAMMJHTR-HAHDFKILSA-N 436.552 4.504 30 10 IJEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871372101 ZUYLYUXRAJUIMT-JJFYIABZSA-N 432.403 4.627 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871877032 XHEIQPQTTGFYAR-IBGZPJMESA-N 441.380 4.978 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCCC 1872176048 AUYRGCURFISNHA-JOCHJYFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1ccccc1 1872211297 ADSJDNXYCCKVOA-QFIPXVFZSA-N 428.598 4.824 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872268552 VTBXJTPTVPMOKU-NFBKMPQASA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C 1872313831 LGMZVOAMMQDKBL-QFIPXVFZSA-N 444.597 4.686 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1O 1874231210 YSXMTOGXNGUSJJ-SSDVNMTOSA-N 432.933 4.614 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccc[nH]1 1874240911 FPTFMCXSQQEUNT-MFKUBSTISA-N 433.537 4.758 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)cc1 1874293310 WNCLXILJLQNCCK-MFKUBSTISA-N 447.564 4.687 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccccn2)c1 1874295505 FVEAGZLXWMOKHQ-MFKUBSTISA-N 444.520 4.655 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(OC)c1OC 1874353402 HUPNZDYUYQRQIV-ZMOGYAJESA-N 438.553 4.563 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccccc1)Nc1ccccc1 1874373727 YPWLJMMJVPBTHR-WGOQTCKBSA-N 445.523 4.621 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(Cc2ccc(C)cc2)nnc1SCCCO 1874390299 GPPBTJVKQTZFFS-YZSQISJMSA-N 446.576 4.696 30 10 IJEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874400437 QIPHIRVOQMCMLF-WTJYETQFSA-N 438.553 4.616 30 10 IJEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(SCCO)nnc2-c2ccco2)cc1 1874469187 ROWCOOZNEVXHLJ-KOEQRZSOSA-N 447.564 4.531 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874480906 HCKJISYBXCIDDD-SSDVNMTOSA-N 442.416 4.725 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCC2)c1 1874497276 CVYUPIVCOAJELY-BFTFCADCSA-N 433.581 4.706 30 10 IJEE COCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(OC)ccc2ccccc12 1874500005 GDUVECCSIGWBFC-DHRITJCHSA-N 436.512 4.900 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1c(F)cccc1Cl 1874504865 FIZRWVAYSBYGLB-BHGWPJFGSA-N 449.914 4.775 30 10 IJEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(Cl)c(OC)cc1OC 1874588497 PPHFBXCSVLCJHY-MDZDMXLPSA-N 440.879 4.958 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 1874634455 CHGHSHJBELPFFA-FNORWQNLSA-N 447.871 4.793 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)C(F)(F)F 1875118002 ZMRSRIXPEHKERG-FNORWQNLSA-N 429.188 4.822 30 10 IJEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1875150821 GEADRWKFFYRTPX-GORDUTHDSA-N 437.429 4.809 30 10 IJEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2Cl)C1 1892012430 UCTRTSRZVDOVHI-SECBINFHSA-N 446.121 4.645 30 10 IJEE N#CC1(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)CCCCCC1 1902271878 RQWZKTCLUJFAJX-UHFFFAOYSA-N 443.547 4.790 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1918267896 RHQXOPOCDWOJIK-UXHICEINSA-N 447.498 4.859 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 1922085749 LEJJOOHPQAOJGT-NQIIRXRSSA-N 430.511 4.973 30 10 IJEE C=C([C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922974838 WAYKCDIERIGBME-IAGOWNOFSA-N 428.443 4.679 30 10 IJEE C=C([C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[Si](C)(C)C 1923027915 UNXIMWLWZRTMFR-WIOPSUGQSA-N 445.724 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Cc2cccc(Br)c2Br)C1 1980244220 NUYHLUGKQQWVLP-KRWDZBQOSA-N 444.167 4.905 30 10 IJEE C#CCCCC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2005505438 QMUQMEQUORMEEQ-JYFHCDHNSA-N 427.633 4.718 30 10 IJEE C[C@]1(C2CC2)CSC(=Nc2ccc(I)cc2Br)N1 2029954952 RIEWLIVZEUHKFX-CYBMUJFWSA-N 437.144 4.546 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048504308 VDDXBEWTYNEKTK-DLBZAZTESA-N 430.770 4.621 30 10 IJEE C[C@@H]1C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@](C#N)(NC2CC2)C1 2055014967 KCJQCRMJIKLFHD-KEKPKEOLSA-N 430.640 4.824 30 10 IJEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1 2079051676 JLFRPDGPDDZRAT-AWEZNQCLSA-N 427.236 4.995 30 10 IJEE CCc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079102019 YTWIRHAFZAHECD-QQZPLFJDSA-N 449.336 4.909 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn(Cc2cccc(C(F)(F)F)c2F)c1Br 2080228152 GSNGCGLQHVBZTK-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1c1cc(Br)c(C#N)cc1F 2118192817 SUAJTNGABZWFBU-OLZOCXBDSA-N 426.330 4.589 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1Br 2124496445 UUJSOELPEVSETB-GFCCVEGCSA-N 437.256 4.876 30 10 IJEE C=C(COCC)[C@@H](NCCC)c1ccc(Br)cc1I 2142280461 DQUMCDYDPJZPHA-OAHLLOKOSA-N 438.147 4.687 30 10 IJEE CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1C#N 2174812471 LITAWXFJAYCRCP-AWEZNQCLSA-N 440.357 4.933 30 10 IJEE CC1(C)C[C@H](C(=O)Nc2ccc(C#N)cc2Br)CN(C(=O)OC(C)(C)C)C1 2181106438 WGSZZMZDUOSURZ-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2ccc(C#N)c(Br)c2)CC1 2181136453 VKIOKCOLBLQEQY-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1C#N)[C@H]1CC=CCC1 2196086049 QHKBIDWSUYXBDC-GUYCJALGSA-N 434.334 4.509 30 10 IJEE CC(C)C[C@H](N)C#Cc1sc(Br)c(Br)c1Br 2212190218 UQKLXCPGHVECDN-SSDOTTSWSA-N 430.003 4.761 30 10 IJEE O[C@@H](C#Cc1ccc(Cl)cc1)c1cc(I)ccc1Br 2231075570 DQJPTRQPUNRGMF-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE Cc1cc(C#N)c(Nc2ccc(Br)cc2I)nc1C 2231656891 ROQWWPHVIBEZEF-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(N)C#Cc1ccccc1Br 2235726961 FMAHRWNLAKRQRR-VGSWGCGISA-N 433.390 4.603 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1cccc(F)c1I 2235745487 CTZKMRUITNYILM-HNNXBMFYSA-N 444.085 4.505 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2235746485 JPZIVIQRZMBLEH-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 2235747485 QJARTJNJRXWLHJ-AZUAARDMSA-N 435.406 4.862 30 10 IJEE CCN(Cc1cccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267095265 DDRBNKGTECTMJY-MOPGFXCFSA-N 444.381 4.864 30 10 IJEE C=CCCC1([C@@H](Cc2cccc(F)c2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281055169 FCYHZMBWUSSSKL-QGZVFWFLSA-N 441.385 4.922 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296228669 BEXNOFCNIXCPCQ-AVRDEDQJSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]1C 2296275309 YYUBNELNEHUQNB-ZWDAVXSWSA-N 435.406 4.720 30 10 IJEE Cc1nnc(N=C2SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)s1 2314548018 OFWPJXJIYOQSHE-UHFFFAOYSA-N 429.527 4.691 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1ccc(C(=O)O)cc1 2314926899 VCJCGLXDWKFEGH-UHFFFAOYSA-N 443.322 4.937 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(NC(=O)OC(C)(C)C)CCOCC2)c1 2318701059 RGKUCMQYDAEMOB-IBGZPJMESA-N 445.560 4.703 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2)c1 2318788200 FMMGLTAYYRNFHS-UHFFFAOYSA-N 430.298 4.627 30 10 IJEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n(N=Cc2cc3ccccc3n2C)c1=O 2321647062 CMMISPPJKNJYMP-UHFFFAOYSA-N 445.592 4.910 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2CCOc2ccccc2)cc1OCC 2322024071 XFAVGWWVZPBYPI-UHFFFAOYSA-N 440.569 4.648 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1OC 2322350549 XJIDQVDMCUXGKD-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc4c(c3)OCO4)cc(C)c2C1=O 2322775655 LBKMNTUGZIRVEK-UHFFFAOYSA-N 444.439 4.958 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(ccc(O)c2CN2CCCCC2)C1=O 2323985087 ZDDUDGCUMYSTGI-UHFFFAOYSA-N 444.325 4.765 30 10 IJEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)o1 2325307039 HKGMSAUHWJFZIN-INIZCTEOSA-N 428.444 4.790 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 2325731466 WHPUBMZJBPBCCK-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1O 2325909071 FRNUJCGPJKZDDO-UHFFFAOYSA-N 439.324 4.569 30 10 IJEE CCc1ccc(OCCCc2nnc(SCCCO)n2N=Cc2ccc(C)cc2)cc1 2326343231 ZBRLIHZCFAUGPC-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1c(F)cccc1Cl 2326758932 KNNIVQURCWXQPA-UHFFFAOYSA-N 432.908 4.594 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccc1O 2328276388 ZOOHOAIPEYJQIV-UHFFFAOYSA-N 446.532 4.746 30 10 IJEE CCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCO)cc1OCC 2330303150 GJSNDBVRZMMDJH-UHFFFAOYSA-N 446.617 4.555 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc(OC)c1 2331491877 TWGGYUQISNGJKE-UHFFFAOYSA-N 449.580 4.730 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339534140 BHWLWEIKIRNMFX-RBUKOAKNSA-N 443.397 4.832 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2360197228 IKHGPQCRTCYPLQ-UFYCRDLUSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2ccc(SCc3ccccc3Br)c(C#N)c2)OC1(C)C 2366976043 PSMGBYWVKUFNKU-UHFFFAOYSA-N 430.176 4.912 30 10 IJEE CCCC(=O)O[C@]1(C(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 4214264 NYLJGSLNIOEAHY-FZNHGJLXSA-N 430.585 4.550 30 10 IJEE biogenic,in-man C=CCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nc2sc(C)c(C)c2c1=O 10396067 GNMOLKLMXMPTAJ-UHFFFAOYSA-N 443.623 4.757 30 10 IJEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Cl)c1O 20881648 PNEGCQVKSACXBE-NVXWUHKLSA-N 425.912 4.757 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(OC)c2OCC)cc1 21233657 YPKNOYACNGDMFP-NQIIRXRSSA-N 449.547 4.887 30 10 IJEE CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C#N)N(C(C)=O)c1ccccc1-2 32997161 SYFRJHCCTLNIIK-QFIPXVFZSA-N 431.521 4.747 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1OCC 39908875 KYNQATVRZZUZKY-HXUWFJFHSA-N 425.868 4.585 30 10 IJEE COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccccc2)=C/C(=N\O)C[C@H]1C 40423852 JNURSSSYRMVXBX-BCAOYBLESA-N 443.883 4.642 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(O)cc2)c(C)c1 169962968 KXPPEBSAUGIDDC-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2F)cc1C 170072170 VTRXOLRSCZIUPJ-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)c(OC)cc1Cl 170166520 ZGAIARJTQBASEI-IBGZPJMESA-N 447.940 4.940 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)c1 170182753 FEGOACVNOOEQMP-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)c(OC)c1 170234235 CQGHWCBYXCDYAH-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(F)cc1 170242564 JXTFMMCOBPSAQK-QFIPXVFZSA-N 441.499 4.573 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c[nH]c2ccccc12 170253890 JFFFAAXERBONER-QHCPKHFHSA-N 426.472 4.546 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1c[nH]c2ccccc12 170255455 PUHGLEWJMNWMEL-IQMFZBJNSA-N 430.504 4.870 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1c[nH]c2ccccc12 170255457 PUHGLEWJMNWMEL-NPMXOYFQSA-N 430.504 4.870 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2C)cc1 170273665 CMUNCSYXAPWJBJ-NZQKXSOJSA-N 435.520 4.541 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(O)cc1)c1ccncc1 170341655 MRHFWYNHQANMIN-IBGZPJMESA-N 440.377 4.589 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1)c1ccccc1 170417195 WUVMFAFLALQTDA-FQEVSTJZSA-N 438.405 4.879 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1Nc1nc2ccccc2nc1N1CCCC1 170547505 GRVCHOLMGSTFHT-UHFFFAOYSA-N 432.491 4.579 30 10 IJEE CN1CCC[C@H](C/N=C(/N)N[C@H]2CCOc3ccccc32)[C@@H]1c1ccc(C(F)(F)F)cc1 304754445 LWSVIXWZYVPUSD-AGHHOFFYSA-N 446.517 4.516 30 10 IJEE Cc1ccc(NS(=O)(=O)c2ccc(NCC3CCC(C#N)CC3)c([N+](=O)[O-])c2)c(C)c1 440642376 YQRMRCCNOHAOAQ-UHFFFAOYSA-N 442.541 4.754 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 442288370 XFPDWNQBCJOKNI-FQEVSTJZSA-N 437.506 4.757 30 10 IJEE CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O 487883914 RAVBFJDSJCKICY-QFIPXVFZSA-N 447.441 4.506 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC(c2nccs2)CC1 508480609 IORZWEJBTLKDHI-UHFFFAOYSA-N 430.375 4.734 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 508955153 DCZSULVVEVFZPU-INIZCTEOSA-N 434.441 4.635 30 10 IJEE CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 540120527 SIULNSLFEGNHRB-VWLOTQADSA-N 430.552 4.737 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 549271914 VGHAZRVTAHBFQK-QGZVFWFLSA-N 438.557 4.832 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc3nccnc3c2Br)c1 554766759 FNNUQQPAWYAHDY-UHFFFAOYSA-N 449.264 4.688 30 10 IJEE COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 575966100 QFJHMFMFMCLOKS-VWLOTQADSA-N 435.483 4.564 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(Cl)c1 586246268 XMRWAQQVIHMOGT-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 586508163 JBFGMFGBKSDIJY-UHFFFAOYSA-N 442.364 4.748 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 589288987 VGJSTJHTRNAKME-UHFFFAOYSA-N 446.016 4.880 30 10 IJEE COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2ccc(C#N)cc2F)c1 609229693 JVEPCNODESOKNV-UHFFFAOYSA-N 440.478 4.797 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 689648685 XSPNDXHXAIAOTC-PBHICJAKSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698447040 RTKCFJUHSJBICV-HCWCBTOOSA-N 427.545 4.966 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]1C 698488397 XYBNQWPLUYEWLJ-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 733202138 ODXYCYQSRUKTJB-GOSISDBHSA-N 445.466 4.689 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CCCN1C(=O)OC(C)(C)C 790668727 HNCLNUFHGQRNHD-DEOSSOPVSA-N 438.528 4.862 30 10 IJEE Nn1c(NN=Cc2cccc(Cl)c2Cl)nnc1SCc1ccc(Cl)cc1 1084072596 NOCCTDRQFJLTCR-UHFFFAOYSA-N 427.748 4.690 30 10 IJEE COc1ccc(OC)c(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 1084441613 UDOFPSLSVBBJGQ-UHFFFAOYSA-N 441.495 4.822 30 10 IJEE N#CCCn1cc(C(=O)CSc2nnc3ccc(C(F)(F)F)cn23)c2ccccc21 1087492341 RCXXTRYKEUFXJA-UHFFFAOYSA-N 429.427 4.591 30 10 IJEE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(C#N)c(SC)nc1O 1124497588 QGSXLQAMRYBDOE-UHFFFAOYSA-N 439.518 4.538 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc4c(C)cc(O)nc4c3)c2)c1 1124733833 MEGQKBLKCMCGBN-UHFFFAOYSA-N 436.467 4.688 30 10 IJEE Cc1cc(C(=O)OCc2ccc(Br)cc2Cl)nn1-c1cccc(C#N)c1 1126454033 HAQCIPDFPHBLTA-UHFFFAOYSA-N 430.689 4.825 30 10 IJEE C=CCC[C@@H](NC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 1127329470 VRVRGFILSGFONU-HXUWFJFHSA-N 439.499 4.865 30 10 IJEE C#CCOc1ccc(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 1128169354 ZKHOKCWICIXNJX-QFIPXVFZSA-N 435.321 4.570 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1128193835 RTRIWDAOTIOUKD-UTKZUKDTSA-N 432.561 4.820 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1129781814 DKGJZRAWSLXDLR-NRFANRHFSA-N 439.478 4.503 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCCc2cc(Br)ccc21 1131264355 DBXZPUOOOPVHKY-FQEVSTJZSA-N 442.357 4.555 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[S@@](=O)c1ccc(Cl)cc1 1136557906 VRJJDSYCGAONEN-RUZDIDTESA-N 444.753 4.564 30 10 IJEE C=CC[C@H](CC)NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1139355622 HEFBQUKYDGFGTH-HNNXBMFYSA-N 427.353 4.879 30 10 IJEE CC(C)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cnn1-c1ccccc1 1139999423 CVDDEUPAGHIXHJ-QGZVFWFLSA-N 447.926 4.512 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(CC(=O)OCC)CCCCC1 1153049828 GETZKCADSPXOHF-UHFFFAOYSA-N 427.463 4.904 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)C1 1163599881 YCHZOIIYRKAYGC-GOSISDBHSA-N 448.950 4.715 30 10 IJEE N#CC(CCN(CCC(N)=O)[C@@H]1CCOc2ccccc21)(c1ccccc1)c1ccccc1 1194348027 CYYGSLSIIRHIEZ-RUZDIDTESA-N 439.559 4.588 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCC)C2CCN(C(=O)c3ccccc3)CC2)cc1 1208902740 QQSYKPLHBYWPJV-UHFFFAOYSA-N 440.609 4.511 30 10 IJEE C=C(C)c1cccc(NC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1 1210299249 CLOKYAPFIAQTRJ-WBVHZDCISA-N 427.467 4.887 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)c1ccc(Cl)cc1 1215136946 AEUDKYFPANBHJY-FQEVSTJZSA-N 443.931 4.740 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1216744003 SMBRELQOBJPLLV-UHFFFAOYSA-N 425.532 4.638 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(N2CCSCC2)CCCCC1 1227534739 WMSGUPINVABPMZ-UHFFFAOYSA-N 428.067 4.851 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1229158101 MULXPOIEHRKRJN-UKILVPOCSA-N 448.588 4.666 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1 1264710832 ABXXAOUVTMKULM-UHFFFAOYSA-N 427.504 4.971 30 10 IJEE C#Cc1cccc(N(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)C(C)C)c1 1264942801 HKLZIJFCIAPNEN-UHFFFAOYSA-N 436.511 4.562 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3csc(-c4ccc(Cl)cc4)c3)C2=O)cc1 1268982418 HMIYWAJEEHCAIO-HXUWFJFHSA-N 435.936 4.866 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2cccc(F)c2)c1CCC)c1ccc(Br)cc1 1275474121 KWNCCEKFIFJQOA-HXUWFJFHSA-N 440.316 4.831 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)cc1OC 1277496591 ASGFCPZPZQTXOW-CSKARUKUSA-N 433.426 4.977 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccc(F)cc2F)CC1 1286304534 IIHWOYIJRUWSSV-HGHGUNKESA-N 442.554 4.665 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2(CC)CCCC2)c1 1286310387 YAHVBFYVSYQCAL-UHFFFAOYSA-N 445.567 4.873 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1CCCCO1 1286360232 FDSKAALGDNTLIA-UYAOXDASSA-N 430.980 4.717 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286368673 OXMDZJSWIBZSER-PGRDOPGGSA-N 436.556 4.863 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCc2cc(OC)ccc21 1286430407 MBTYBAOOMUSQKK-JOCHJYFZSA-N 444.604 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1Cc1ccc(C)s1 1286529361 YVFLVCBUKALIQK-XMMPIXPASA-N 436.581 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1286583162 JWRRRCMDGLYSHO-CVDCTZTESA-N 430.568 4.850 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](SC)C(C)(C)C)CC1 1286664350 UUHSBNGQBYYSQM-NRFANRHFSA-N 439.629 4.909 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1286677883 LRRWCKIQUPAAOA-HXUWFJFHSA-N 437.613 4.783 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC=C 1286748758 AEPHGBUTYYZUHO-UHFFFAOYSA-N 446.580 4.505 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286772252 WTVJLEFADZOVAM-FXAWDEMLSA-N 439.604 4.778 30 10 IJEE CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)c1cnccc1C#N 1288983824 BNTZQKYCKHOUFY-UHFFFAOYSA-N 440.272 4.919 30 10 IJEE C=CC1(CC(=O)Nc2nc(C)c(Cc3ccccc3F)s2)CN(C(=O)OC(C)(C)C)C1 1291756388 QETZVLSGSQHHIJ-UHFFFAOYSA-N 445.560 4.933 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](CC)[C@H]2C)c1 1296702057 QQQRJNAYTQCKHQ-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3ccc(F)c(Cl)c3)C3CC3)n[nH]2)c1C 1298058364 IBUFLTLANXIEJM-OAQYLSRUSA-N 427.911 4.750 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ncc(CC)s1 1300320443 HVXIZGAZWXBKJR-GOSISDBHSA-N 437.613 4.814 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)c1ncc(C)s1 1300441784 ZRTHJCTZZSCMNU-LSDHHAIUSA-N 425.627 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccoc1 1300907224 XFCWSRBRAAXCGN-UHFFFAOYSA-N 431.334 4.760 30 10 IJEE C=CC[C@H](Cn1c(N2CCCC[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301167591 CLGRWHIGDYOYBA-HNVPCBRESA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1301178055 FNTGILIWLZSQHL-LJQANCHMSA-N 440.523 4.525 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 1301198545 MFVYQRPBYJCHNB-UHFFFAOYSA-N 444.023 4.931 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301225295 BCFBNKPEXXXNNI-IBGZPJMESA-N 439.604 4.919 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(SC)CCOCC1 1301272385 GSDNKZKYGHKJKN-IBGZPJMESA-N 430.618 4.569 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H]1CCO[C@H]1C(C)C 1301354636 FDMDLRCNWQQKID-RDGATRHJSA-N 449.574 4.657 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1301411244 VZEAVJIFZBTGSK-WKCHPHFGSA-N 435.572 4.680 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1OCCC1(C)C 1301414608 GNNWQXDSEFVWGA-DYESRHJHSA-N 444.645 4.585 30 10 IJEE CC(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1 1302791766 BLSFBDJSDJMZLR-ZJSXRUAMSA-N 437.588 4.560 30 10 IJEE C=CCC1(O)CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)CC1 1308088299 GLIQDDFKJJIDBM-QGZVFWFLSA-N 429.630 4.502 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 1310196034 IEDPMZCTLGKRKY-UHFFFAOYSA-N 435.311 4.803 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(OC)c(Br)cc1Cl 1311026887 WLKZOPDCRBXSBW-UHFFFAOYSA-N 425.710 4.998 30 10 IJEE C=C(C)[C@@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)c1ccc(F)c(F)c1 1311757604 AEIYJMHAHFSPGR-XMMPIXPASA-N 443.538 4.802 30 10 IJEE CO[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccsc2)C1 1320816249 CFKGLIMFHACTKC-OTWHNJEPSA-N 443.594 4.584 30 10 IJEE C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccc2c(c1)OCO2)C(=O)Cc1cccc(OCC#N)c1 1351610041 FDBSSNWGIGECGO-SELNLUPBSA-N 434.536 4.714 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(F)c(C(=O)CC)c2)c(C(=O)OCC)c1C 1353747123 ZQHSHOQVRINNMO-UHFFFAOYSA-N 447.484 4.560 30 10 IJEE C=CCC1(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)CCCCC1 1355363246 HWVLEBYLTXSACE-UHFFFAOYSA-N 434.602 4.725 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 1356599656 CGJNBMYJIXPAAO-NRFANRHFSA-N 431.305 4.886 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CCCS1 1359003710 VAYLXTQSAKYECI-QGZVFWFLSA-N 425.421 4.514 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1359084124 YNWHANNIJOCEPX-OALUTQOASA-N 431.378 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCc3c(F)cc(F)cc3[C@@H]2C)nnc1C(C)(C)C 1359104712 FHARECXBMKDJOS-QYWGDWMGSA-N 430.543 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CC 1359116280 FQIXDCQIDOCPDU-FQEVSTJZSA-N 432.012 4.787 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 1359124185 NPDPKXHJLIZNRW-CQSZACIVSA-N 425.360 4.744 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1359162048 BETMXNCIINYBHF-DYESRHJHSA-N 428.964 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359189273 FLBSKPGMGIFDNX-UHFFFAOYSA-N 433.641 4.774 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCOC(C)(C)C1 1359206065 STWWCZMKDIZCBN-UHFFFAOYSA-N 449.393 4.591 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1359206106 UQLUJFMBDHRHIV-RBUKOAKNSA-N 427.618 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1OCCC1(C)C 1359254850 FYUXSLYEGAYYCY-YADHBBJMSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1cccc(C)c1 1359263122 QDAVNBVUQRLTQO-LJQANCHMSA-N 448.596 4.709 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1Cc1ccc(C#N)o1 1359264379 DEUHKUKTYVGWLC-UHFFFAOYSA-N 445.548 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccncc1Cl 1359274369 LBFXTBGNBCXOCB-UHFFFAOYSA-N 430.339 4.786 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)CCCO1 1359276786 PLTBWDAUSFZOQD-HSZRJFAPSA-N 426.948 4.996 30 10 IJEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC(CC(F)(F)F)CC1 1359311188 SZMWYABFHXJWHF-UHFFFAOYSA-N 438.494 4.597 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)c1 1359822138 DAJXKUTZSSTEQH-IBGZPJMESA-N 442.581 4.765 30 10 IJEE C#CCN(C(=O)C1=Cc2cc(C)ccc2OC1)[C@H]1CCOc2ccc(Br)cc21 1360557458 YLQPMDGXAMILPV-FQEVSTJZSA-N 438.321 4.519 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1460844941 SRIKWXBQDZIZNF-QFIPXVFZSA-N 444.497 4.861 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 1464009283 XARCKRWVSPIMKG-UHFFFAOYSA-N 431.414 4.608 30 10 IJEE C=C1CC(C)(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)C1 1464662710 VSBSAQJJLDWZIH-IBGZPJMESA-N 428.529 4.538 30 10 IJEE C=C(Cl)CNC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1465283453 BUORLJFYJQZEKL-JOCHJYFZSA-N 426.944 4.809 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)c1 1465476621 VVYOXNCDNBEIKP-KRWDZBQOSA-N 449.942 4.656 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1)c1ccc(Cl)cc1F 1467935204 MMWRWINIQIJFGF-OAQYLSRUSA-N 438.886 4.956 30 10 IJEE C#CCN(C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCCc2ccccc21 1468985451 OZMALCJKKYXVPY-FCHUYYIVSA-N 435.955 4.558 30 10 IJEE C=CC[C@H]1CCN(C(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1470435716 SOTAZILOUXJNRQ-PMACEKPBSA-N 432.564 4.976 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1 1470662840 KWEGVPYKFPTEQO-QRWLVFNGSA-N 446.776 4.603 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1471110060 UNGZNQLRIOJMSA-IBGZPJMESA-N 447.624 4.587 30 10 IJEE C#CCN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCCc2ccccc21 1472071308 XISCRQNHGMZONT-PZJWPPBQSA-N 441.358 4.886 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)cs1 1473839175 UKSLUOGCVXOYSF-XMMPIXPASA-N 446.576 4.890 30 10 IJEE C#CCN1CCC[C@@H](NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1 1474266057 KZAFJRBNTBALEU-HXUWFJFHSA-N 433.379 4.768 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccc3CN3CCCC3)cc2)nc1 1476056886 CSNQACFMWBPCRV-UHFFFAOYSA-N 427.508 4.663 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 1476606220 ABNSLDXPONHOQL-AVRDEDQJSA-N 425.579 4.886 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)c1ccccc1 1479189333 LSCRMWMLPOONCY-XMMPIXPASA-N 437.559 4.961 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC[C@@H]2C)cc1OC 1502801225 AXAOCPAZGTUVME-GHTZIAJQSA-N 437.588 4.919 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(c2cnn(C)c2)CC1 1507557926 UVFQLMWTFCHDLD-XMMPIXPASA-N 430.600 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)C(F)(F)F 1507673548 WWIJNIOPISVIBV-UHFFFAOYSA-N 432.490 4.525 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(CCc1ccc(F)cc1)C1CC1 1507794857 AUPUGEQUCNJZIG-YKSBVNFPSA-N 426.580 4.808 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(OCc2ccccc2)CC1 1507837526 AXNFLFNCSADOEE-UHFFFAOYSA-N 436.556 4.625 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCCCCC[C@H]21 1507849032 UCABQMFPZBZGOW-LEWJYISDSA-N 440.588 4.617 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2Cc2oc(CCC)nc2C)CC1 1507905361 USXFWTCPDWYSKJ-UHFFFAOYSA-N 435.572 4.599 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1507911276 JDRBWZFFBKIGCN-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507946188 KQMALQDEFQHRBD-SFHVURJKSA-N 430.980 4.587 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507949788 LHYVUEHBSSRHMP-OAQYLSRUSA-N 439.604 4.637 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@@H]1C(C)C)C1CC1 1507990814 OICVVPIJHBMPRQ-IIBYNOLFSA-N 430.980 4.823 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1508002255 CARCOMJLKVICEI-FQEVSTJZSA-N 427.593 4.582 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1c(C)cc(C)cc1C 1508006397 CXALUHOICZRXSU-UHFFFAOYSA-N 430.581 4.963 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1Cl 1508015266 PLDYLSSOAVZIAI-UHFFFAOYSA-N 432.753 4.916 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1508018171 PJGXJPMARVEEFD-XUZZJYLKSA-N 446.599 4.760 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1sc(C)nc1C 1508024052 HSFYFLKPBQDOEK-OAQYLSRUSA-N 437.613 4.876 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1508047930 SOBFLJJXXUBCGM-GOSISDBHSA-N 431.378 4.597 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCCC2(C)C)cc1 1511031212 FURQFXRTSDXSBU-JPYJTQIMSA-N 427.618 4.558 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(Cl)s1 1513683763 DXUGGCJCFNAJIQ-HNNXBMFYSA-N 429.977 4.779 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)cs1 1517754406 DQNAQPOEAAOLMB-IXDOHACOSA-N 436.585 4.654 30 10 IJEE C=CCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(C(F)(F)F)cc1 1519589483 AXJOGKGXHWMEFL-LJQANCHMSA-N 445.416 4.828 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)n2)c(Cl)c1 1520339692 CJOHZQFCAVMHIM-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1521194716 ADQABYWQRMBMIQ-LJQANCHMSA-N 428.298 4.839 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(Br)c3c(c2)OCO3)C(F)(F)F)cc1 1521336854 KHKHXWVLOUCMFO-MRXNPFEDSA-N 427.172 4.620 30 10 IJEE CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(C#N)c2Br)c1 1525919703 AVRQLKCCNBURSL-UHFFFAOYSA-N 428.330 4.835 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c(OC)c1 1527495322 IHMUOYRJIVTDLC-UHFFFAOYSA-N 426.513 4.936 30 10 IJEE COc1cccc(N2CC[C@H](NC(=O)c3ccc(Sc4ccccc4C#N)cc3)C2)c1 1527994588 HTLIDKUERVMJTQ-FQEVSTJZSA-N 429.545 4.727 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1528528646 VACWMALGZKTFKE-GGAORHGYSA-N 446.657 4.572 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc3nccc(C(F)(F)F)n3n2)C(C)(C)C)cc1 1529500828 MRPDEYKTTTYAIJ-UHFFFAOYSA-N 432.446 4.754 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CC1(Cl)Cl)c1ccc2c(c1)OCCO2 1530678204 OWAIRMBJNRYPNV-KRWDZBQOSA-N 434.319 4.750 30 10 IJEE C#CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 1531553466 NMHTYYLMOPXENS-INIZCTEOSA-N 449.688 4.610 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(C(=O)OCC)c(C)cc2F)CCCN1C(=O)OC(C)(C)C 1532387402 ZESMOOJCRHPYLK-QHCPKHFHSA-N 434.508 4.595 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@H](c3cccc(Br)c3)C2)c(OC)c1 1533581179 MUYKPVHILSGKOQ-SFHVURJKSA-N 430.342 4.581 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)COc3cccc(C#N)c3)c2C(=O)OC(C)(C)C)[C@@H](C)O1 1538949582 FSIBPNGHVFXUPK-ZIAGYGMSSA-N 442.537 4.615 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1539619696 HEKFOBQMSSTRIG-RBBKRZOGSA-N 433.581 4.538 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C)C2CCCCC2)CC1 1539832660 WKAZMZJJFPRASJ-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1539896801 SFNTXTCOUNXWTA-OPVJXMOQSA-N 428.552 4.602 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCSC(F)(F)F)C1CC1 1540099234 UUUOUHSJRLHBKX-UHFFFAOYSA-N 434.434 4.954 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCC[C@H]1C 1540184603 GGKRDHIOWKEPBK-KOSHJBKYSA-N 440.975 4.978 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccnc(Oc3ccccc3F)c2)C1 1540883324 XWOVVFVUCSOXMW-IBGZPJMESA-N 437.519 4.558 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[C@H]2C[C@H](F)C2)C1 1540887707 BXNWBQOAKGLYTO-ULQDDVLXSA-N 449.368 4.627 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CCCC2CCOCC2)c1C 1542029348 CTAMUDGHHXUWSC-TZIWHRDSSA-N 439.604 4.980 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)cc1C(F)(F)F 1542647728 HCJXVWHCKQCSDG-QGZVFWFLSA-N 430.467 4.580 30 10 IJEE CCc1nc(CCn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@H](C)CC#N)cs1 1546367440 FRVHTHHKHLPCRQ-QGZVFWFLSA-N 445.596 4.802 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)C1 1558269553 HKXIXHBLMPNOPG-DFBJGRDBSA-N 443.547 4.622 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1ccc(OC)cc1 1559492768 CKTDFMFFDTVCSP-UHFFFAOYSA-N 429.492 4.724 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 1560892395 MQIJUHSVQVSBTK-SFHVURJKSA-N 426.944 4.808 30 10 IJEE C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)S(=O)(=O)c1cc(Br)ccc1C#N 1561346002 ASYUDIVSNRRYKM-OLZOCXBDSA-N 441.778 4.787 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 1562604651 BLIILCDSHYJZOD-SFHVURJKSA-N 425.414 4.962 30 10 IJEE C#CCC1(NC(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)CCOCC1 1562801469 UJGSIHYDUOQLSG-UHFFFAOYSA-N 429.973 4.959 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OCC 1569187322 ULBKXAGWWTWMMZ-CYBMUJFWSA-N 429.332 4.604 30 10 IJEE C#C[C@H](NC(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21)c1ccc(Br)cc1 1584709291 YYLAPZQBPRNHQI-YDZRNGNQSA-N 445.154 4.588 30 10 IJEE COC(=O)c1c[nH]c2cc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)ccc12 1584923294 AGNQHITXXXDMOZ-UHFFFAOYSA-N 425.444 4.657 30 10 IJEE CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2=O)cc1 1585707579 AURNUFPFLBLOEF-LJQANCHMSA-N 441.487 4.741 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1587823525 UBLUTMJFKICNNT-UHFFFAOYSA-N 431.584 4.794 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(CC)C1CCCCC1 1589110358 SWSFJHPNATXZOB-UHFFFAOYSA-N 426.630 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CCOC)CCC1 1589171780 SHCCBQHSMMIHCQ-HSZRJFAPSA-N 444.526 4.745 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1589657601 HCNVQMVDYLXJSU-NRFANRHFSA-N 440.588 4.671 30 10 IJEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCCCC)C(C)C 1593636860 UBCSJMVSDOPHTP-LJQANCHMSA-N 435.613 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1593717313 DFAULLJAXRUCRP-FQEVSTJZSA-N 444.023 4.503 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC=C(C)CC1 1593718401 XDPAMRQRELMIHO-UHFFFAOYSA-N 434.540 4.866 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1594077965 WTMQFADLCABKHN-SFHVURJKSA-N 443.567 4.744 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](COCC)C1 1594582400 PSCUYBWZAIHHEA-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1594698440 RAMWRQBOMWROJG-GOSISDBHSA-N 442.951 4.649 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](c1ccco1)N1CCCCC1 1594997827 PSVYOLIQEVIMBX-QFIPXVFZSA-N 449.599 4.916 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1nc2ccccc2s1)C1CC1 1596641250 RVNHNUORGFPXBP-MRXNPFEDSA-N 435.977 4.823 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 1615344643 HKUACEPUZPPROB-LJQANCHMSA-N 448.640 4.993 30 10 IJEE COc1ccc([C@H](C)CCn2c(Cc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1619154166 BMSQOUHNLNKDDB-IBVKSMDESA-N 444.583 4.596 30 10 IJEE COC(=O)C1(C#N)CCN(Cc2cc(F)ccc2Oc2ccc(Br)cc2)CC1 1621339272 GUOCWFFUHSQDHZ-UHFFFAOYSA-N 447.304 4.659 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CC1 1623083547 NBISLUSHMIYODM-UHFFFAOYSA-N 449.338 4.576 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 1624051143 NGNLVAZLXDAGBK-UHFFFAOYSA-N 427.508 4.800 30 10 IJEE CC#CCCNC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1631720871 VWQXSMODFSMJFF-HXUWFJFHSA-N 430.548 4.567 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3c3cccc(Cl)c3)ccc2c1=O 1634302734 SWKPSNTYWZNUMG-HXUWFJFHSA-N 439.968 4.892 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(Cl)cc1I 1634791377 YWBASGCMNNXGOC-BLLLJJGKSA-N 432.733 4.879 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1 1636157952 HDQHWGFQXXFJGV-FQEVSTJZSA-N 431.561 4.889 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 1638770065 FXNBETZSDAZQGQ-UHFFFAOYSA-N 430.295 4.544 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)c3cc4cccc(C(F)(F)F)c4nc3O)CC2)cc1 1645722616 RAQQWORKUWVTDO-UHFFFAOYSA-N 425.410 4.851 30 10 IJEE C=CCC(C)(C)CNCc1cc(I)c(Br)cc1F 1662528416 XQGHOXDBFZCMPH-UHFFFAOYSA-N 426.111 4.885 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)cc1 1665970078 VSYBNRYUVKNJMH-OAQYLSRUSA-N 429.586 4.710 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CCOCC1 1667740595 QLQDKOWERUMITA-FQEVSTJZSA-N 445.441 4.508 30 10 IJEE C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(C(F)(F)F)no1 1671555834 IFKVULJHMGSDKV-OLZOCXBDSA-N 429.402 4.748 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1ccccc1Br 1674452212 HHPJJRRCNXIRRM-DYVFJYSZSA-N 434.359 4.556 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1675441846 VYFZQWJIIAIBOQ-BGYRXZFFSA-N 425.548 4.727 30 10 IJEE CCCC[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 1678225131 FVSKYTQVGNNXBQ-JOCHJYFZSA-N 437.519 4.617 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1679797503 JVIYURUNVZWXLP-WPYKKVEZSA-N 439.353 4.648 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1680831746 LPFDAEALGPXEAC-KRWDZBQOSA-N 437.378 4.958 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CC)c1ncc(-c2ccccc2)[nH]1)c1ccc(Br)cc1 1683507458 DKUBNFBPHWXYIX-MOPGFXCFSA-N 437.341 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1nc(C)no1 1689832162 XQTNMIJQZZQPHO-CYBMUJFWSA-N 440.960 4.595 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(CC)C1 1689886761 GDMQENBORUAJPM-AREMUKBSSA-N 446.599 4.666 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccsc1 1690317430 ZGSDBBFRYFDBTQ-LJQANCHMSA-N 429.615 4.630 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1690324508 SFFJYRURJYVBEA-YLJYHZDGSA-N 427.474 4.612 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCC2CCOCC2)CC1 1690384240 KOQMDJZWVKKXCE-UHFFFAOYSA-N 428.602 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)CC1 1690422681 WKXVULHUYJZVNS-UHFFFAOYSA-N 446.039 4.987 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 1690445156 SBFKGSGNKNCAFH-FQEVSTJZSA-N 449.624 4.661 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nc(C)cs1 1690531694 WQLBIVWDKQVMIK-UHFFFAOYSA-N 431.993 4.687 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CCC(=O)N1CCCCC1 1690567998 XEQGGBDCZNFUEU-IBGZPJMESA-N 427.568 4.526 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H]1C 1690737030 XCEVSZKTQFKPNN-STQMWFEESA-N 427.437 4.923 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc2ccccc2s1 1690743696 DZLGUYLTXSCYFA-QGZVFWFLSA-N 429.615 4.685 30 10 IJEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1693709551 FWIWZIFESRLLNM-OYRHEFFESA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1705479829 MIZAPOLCCATCMN-DLBZAZTESA-N 445.995 4.702 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705620375 RWSRVHVAZFQWRA-FGZHOGPDSA-N 439.623 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C(C)C 1705695586 IXQZKZSYGCJFKB-RXVVDRJESA-N 441.963 4.983 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OCC(C)C)C1 1705722380 IYSBHQIJRKHWDV-AWEZNQCLSA-N 425.396 4.597 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCCCC2)CC1 1705763548 XUSGKYPYUPSAAY-FQEVSTJZSA-N 427.568 4.590 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705803009 BZUZRBNZGXZZQU-YADHBBJMSA-N 440.588 4.712 30 10 IJEE C=CCCCn1c(N(C)[C@H](C)c2cc(F)ccc2F)nnc1[C@@]1(OC(C)C)CCOC1 1705823537 OIUNWICMGRQTKA-UZUQRXQVSA-N 434.531 4.761 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1nc(C)c(C)s1 1722407690 RHJKPMXHPYLJPC-MRXNPFEDSA-N 444.004 4.847 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1722462543 WAINFGRRQHJGFG-GHTZIAJQSA-N 426.630 4.829 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1CC 1722467047 KWWGLDZLOZLYCI-QHWMMSMNSA-N 449.643 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1722491100 HNSOTEYRJBXFPV-RBVMOCNTSA-N 438.616 4.958 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)c1ccccc1 1722541126 VCSXJLIQPKGBPY-LPHOPBHVSA-N 448.514 4.800 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1 1722592954 CRYFCVTUSVRKOJ-FHWLQOOXSA-N 447.624 4.566 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)CCC)CC1 1722597481 NFSZHYNEXUSOOR-UHFFFAOYSA-N 435.572 4.933 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722605373 FPTNPJMIECJHQP-UHFFFAOYSA-N 438.523 4.675 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722618684 LWJKBDUYFCIHKR-OAQYLSRUSA-N 430.543 4.910 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)C(C)C 1722664258 UWDISHRLVIFPFY-QHCPKHFHSA-N 428.577 4.669 30 10 IJEE C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C#N)CC1)c1nccs1 1723816166 FCELXOVPCJSBFE-HZPDHXFCSA-N 440.548 4.557 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1740582025 IAHOAZQCOFIAGT-FQEVSTJZSA-N 428.895 4.630 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC[C@H](C)C1 1740595763 YEFRCIKFNRFRDN-KRWDZBQOSA-N 431.378 4.659 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCCN2CCCCC2)CC1 1740827489 YSEBMKOQMQZJQD-UHFFFAOYSA-N 425.596 4.821 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1740848337 ICRNWBFDCXEQME-YADHBBJMSA-N 426.605 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740852418 NFRLQKUEMICVKH-CYFREDJKSA-N 428.577 4.508 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1noc2c1CCCC2 1740854888 AMSILWMKNSSYRQ-UHFFFAOYSA-N 430.556 4.914 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[C@H]21 1740887847 DTGRDVRQYVOVOD-MAUKXSAKSA-N 437.371 4.745 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@@H](C)C1 1740913194 AAHIMBORKWAVPP-PZJWPPBQSA-N 426.605 4.883 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CC12CCOCC2 1740925816 NWQHGOXJVLJSSH-MOPGFXCFSA-N 426.536 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(F)(F)Br 1740933256 LLLZWJSMEVWLHN-UHFFFAOYSA-N 436.304 4.516 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1Cc1cccc(Cl)c1 1740937466 ZSTLFCGXRKAZQM-UHFFFAOYSA-N 433.943 4.794 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740949359 TWEVXZTXJPORSX-QHCPKHFHSA-N 437.632 4.752 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)C(C)C)C1 1740984395 BBRZOIXMKARKDJ-QFIPXVFZSA-N 426.605 4.937 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1741001565 XOMKAQFMMUCVEJ-XLIONFOSSA-N 449.020 4.750 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC(F)(F)F 1741960854 GIUIPPWIRCXEPB-NEPJUHHUSA-N 440.363 4.898 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C)c1nc(C)cs1 1748552736 HKEGKBJLTJFNPX-KBPBESRZSA-N 444.992 4.772 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1748739970 LPKLWLJEKOSEAF-OAQYLSRUSA-N 426.362 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C)CC1 1748872399 BFXXYGBYXDEHMN-UHFFFAOYSA-N 431.765 4.624 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1cccs1)N1CCCC1 1748917950 RPKLVGHCIDIAIJ-JOCHJYFZSA-N 433.625 4.866 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2sccc2[C@@H]1CC 1749101626 DHPFSWLCMZZLLQ-ZBFHGGJFSA-N 437.407 4.656 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1749256940 GQVBIIOAHWYHDS-ROUUACIJSA-N 442.947 4.873 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1749384575 DGTOZYRNDDJOEZ-RPWUZVMVSA-N 437.632 4.800 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@H](c1cccs1)N1CCCC1 1749528533 TXLWIIZHKFSNGG-JOCHJYFZSA-N 437.613 4.686 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1749530191 UTULKLVVVJCCGC-GJZUVCINSA-N 433.600 4.845 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1749585269 ZLEHWABIOCMDMS-XZOQPEGZSA-N 444.627 4.696 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)N(C)C)CC[C@H]1C 1752217121 ANWCAPNJDKURMI-YOSAUDMPSA-N 434.632 4.810 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCSC1(C)C 1760210074 MAGQCDXTRYTZFR-RTBURBONSA-N 440.588 4.552 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C[C@H]1CC 1760273838 DSZLQGFQFJMPTA-CRAIPNDOSA-N 433.419 4.699 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CCCC2=O)CC1 1760423849 OLAIBUAFKPVAOI-UHFFFAOYSA-N 445.970 4.685 30 10 IJEE C=CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1cnccn1 1760432261 JNAPRLWSWSTABB-UHFFFAOYSA-N 431.569 4.770 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1760436484 CMZCFEPMNNIMHL-UHFFFAOYSA-N 426.952 4.611 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc2nsnc2c1 1760501460 QIBMACUAJSVRIA-UHFFFAOYSA-N 436.585 4.748 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H](C)C1 1760501890 GTTDGNYQGOGRDW-UXHICEINSA-N 426.605 4.697 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1CSC 1760562148 YGBAJMGDVNSTRU-HNNXBMFYSA-N 427.014 4.989 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCc2ccccc21 1761076738 IBPNBWILRWAHNR-NRFANRHFSA-N 431.588 4.565 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H](O)C1 1761077707 GOOJXCMLOBCULX-RBBKRZOGSA-N 444.023 4.840 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1763326228 AOOSVJJDQKXPPN-NZQKXSOJSA-N 434.632 4.954 30 10 IJEE N#Cc1cccc(C(=O)N2CCOc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc32)c1 1858452848 GWHKADFPXUOJPD-UHFFFAOYSA-N 441.531 4.752 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)c(OCC)c1 1862419077 QIOHGTXQJFDFGS-OAQYLSRUSA-N 445.462 4.838 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 1862419641 VDXWEJRKTLYMIM-FQEVSTJZSA-N 442.418 4.784 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1[N+](=O)[O-] 1862460380 KSKZOKHUHOFLEF-IBGZPJMESA-N 448.397 4.781 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc3ccccc23)cc1 1862481126 XGSKWBBJZLGUHU-DEOSSOPVSA-N 428.532 4.678 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc3c(c2)CCCN3C)c1 1862498348 GHTJFUWOLWVLIV-DEOSSOPVSA-N 432.564 4.920 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862533016 JMVKOCLBJKUXGL-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc([N+](=O)[O-])c1 1862547160 NXYYVTLSLXHYAD-OYHNWAKOSA-N 434.492 4.850 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Cl)c1 1862591556 JINZEDZNNPKKCY-NRFANRHFSA-N 443.927 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2 1862628183 XMNJAWIPFAVVHC-HXUWFJFHSA-N 425.868 4.590 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(C)C)cc2)c1 1862701466 FSTKXMRUYXFCGR-HSZRJFAPSA-N 437.536 4.560 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862703640 KLIUGCGMUMJDGY-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 1862746210 AWGYTVUDYMWIIO-JOCHJYFZSA-N 448.475 4.769 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc[nH]1 1864933529 ILFIOQMTSDLOEI-HXUWFJFHSA-N 441.620 4.745 30 10 IJEE COc1ccc(CCC(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 1865952137 YKNQMTYYXJCVAR-UHFFFAOYSA-N 438.119 4.663 30 10 IJEE CCC[C@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1ccccc1C#N 1867178304 DMWLVEVRMSZVIM-QFIPXVFZSA-N 444.535 4.550 30 10 IJEE CC(C)(C)c1ccc(-c2ccc(OCC(=O)NCC(=O)Nc3ccccc3C#N)cc2)cc1 1868151296 HBAQXKXRMYFJMM-UHFFFAOYSA-N 441.531 4.656 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1868286900 YTBOUKUFEQBVMV-OAQYLSRUSA-N 431.565 4.957 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccc(CC)cc2)n(-c2ccccc2)n1 1870001558 JZIBXCJBZDRINV-UHFFFAOYSA-N 445.567 4.806 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)cc(C)c3C2=O)o1 1871382259 QAMBQYUJDRTTGI-IEPMXLQJSA-N 430.412 4.830 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871382268 QMUJCTFRJIDPFA-QWQNUTRASA-N 444.439 4.918 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCCOc4ccccc4)ccc3C2=O)cc1 1871397438 QATRETHXPBBQRM-JLPGSUDCSA-N 430.456 4.937 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1OC 1871453582 GTGXDEVCKCNDAZ-CFRMEGHHSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871793005 VBPUHLHUIIVSSP-SFHVURJKSA-N 434.989 4.859 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CC 1872201218 JYNIFKCCYJEADQ-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872480151 WWDBELLKTGLWGM-JOCHJYFZSA-N 428.598 4.768 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 1872770931 IJMQEWGIJZGIBS-HNNXBMFYSA-N 443.868 4.879 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/n2c(S)nnc2CC(C)C)cc1C 1873502606 RDRIRQUELWBMCG-AFUMVMLFSA-N 446.580 4.817 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657577 IPGKESUNWBFIRQ-IBGZPJMESA-N 444.583 4.706 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 1873936675 NIRLRSQYWPVMDJ-QFIPXVFZSA-N 428.577 4.504 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCCO)n2/N=C/c2cccc(Cl)c2)cc1 1874254035 SLECIFJHUGAIIB-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2O)cc1 1874389576 UDQUXGSJDLHLHC-MFKUBSTISA-N 430.533 4.763 30 10 IJEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(C)c2)cc(OC)c1O 1874489565 XZCRLXZPQOSDDR-ZMOGYAJESA-N 440.569 4.682 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)OCC(C)C 1874592499 MVJCOUQSABRRDX-CSKARUKUSA-N 432.900 4.831 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)NC1CCCCC1 1874625405 CRICMBSBXDGEDF-RIYZIHGNSA-N 425.500 4.948 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 1874669048 VJHRBSQPVFRUKD-VWLOTQADSA-N 449.595 4.994 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1OC 1874694278 VCNPLOCAPFYQSM-VMPITWQZSA-N 433.460 4.531 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)c1 1875147117 MGRGUOFKBYTOEF-JXMROGBWSA-N 436.435 4.967 30 10 IJEE Cc1cc(Br)ccc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891026786 SRGXVVFZXSQGMW-UHFFFAOYSA-N 426.232 4.589 30 10 IJEE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(F)c(C#N)c1 1951789674 GVHATCCUCBJBDE-RUZDIDTESA-N 430.435 4.536 30 10 IJEE CC1(C)OB([C@H]2[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]32)OC1(C)C 1953150581 PVAPTBYCWJGXJI-SGRGSNTQSA-N 431.341 4.960 30 10 IJEE Cc1cc(Br)ccc1SCC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1963838270 IDLSPVDPLLATCI-CQSZACIVSA-N 440.212 4.544 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 1964767071 GPWKPKBGJGBSGH-HNNXBMFYSA-N 436.350 4.542 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 1983329790 AHUXKZIQJGNSHT-DYESRHJHSA-N 427.463 4.764 30 10 IJEE CN[C@H](CC#C[Si](C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2014156614 NCTQOYDDVUMPJK-RDGATRHJSA-N 444.692 4.689 30 10 IJEE C#CC[C@@H](C[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC)C1CC1 2020083856 XDQVWJXFKLQBCN-KMDXXIMOSA-N 428.617 4.904 30 10 IJEE COc1cc(C(=O)C=Cc2cc(Cl)c(OC(C)C)c(OC)c2)ccc1OCC(=O)O 2040461450 QRGJPMKTJTWQHZ-UHFFFAOYSA-N 434.872 4.504 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)cc1Br 2043996643 BSDVJQYDLRYTTN-HXUWFJFHSA-N 440.341 4.924 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC(CNC(=O)OCc2ccccc2)CC1 2054426954 KBKBBFQCKCCRNJ-UHFFFAOYSA-N 446.320 4.603 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2070326068 FZYNASLEZAWGSK-LNEBKTTKSA-N 441.616 4.843 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]1C1CC1 2073784163 XJFDECJCQGUBFM-JTSKRJEESA-N 448.568 4.996 30 10 IJEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(O)c1 2078999972 YQSJXONXBDPUEO-QGZVFWFLSA-N 433.293 4.640 30 10 IJEE Cc1c(C(F)(F)F)nn(-c2c(F)cccc2C(F)(F)F)c1I 2079823992 OEGQPCOJGLQPBL-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(F)c1F 2102883513 BHOSNLKGRMHQCB-PBHICJAKSA-N 431.321 4.685 30 10 IJEE C[C@H]1C[C@@H](C)N(c2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2118155887 DQFYOZTVYCZFQB-OLZOCXBDSA-N 426.330 4.684 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@H](CCNC(=O)OC(C)(C)C)C(C)C 2124464793 KMJVVBRYIAIWAG-QGZVFWFLSA-N 431.415 4.877 30 10 IJEE FC(F)(F)C[C@@H]1CSC(=NCc2c(Br)cccc2Br)N1 2150534127 VJBSVMDCQKYJDK-SSDOTTSWSA-N 432.103 4.725 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)Nc1ccc(Br)c(C#N)c1 2180994944 YTFLASFAIOCQQX-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1C2CCC1(CC(=O)Nc1ccc(Br)cc1C#N)CC2 2181047797 WFOXOHRJMKJRAD-UHFFFAOYSA-N 434.334 4.581 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2235718214 CZBNDKCWRFKGIW-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1cccc(C)c1I 2235728396 RQBJYXARNJKMLS-MRXNPFEDSA-N 440.122 4.674 30 10 IJEE CC1(C)OB(c2cc(Cl)c(C(=O)N(Cc3ccccc3)CC3CC3)cc2F)OC1(C)C 2256015473 VKTNOPRNIMBRAT-UHFFFAOYSA-N 443.755 4.831 30 10 IJEE CN(Cc1cccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1)C(=O)OC(C)(C)C 2267118308 JKDNBFGFCZYNKQ-IYARVYRRSA-N 444.381 4.864 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267580821 KNNAPUSGJYGYAA-QYZOEREBSA-N 442.365 4.619 30 10 IJEE C[C@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)c1ccc(Cl)s1 2281943889 AWTZWUAUGIXIBY-VIFPVBQESA-N 432.203 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2288287650 RJJNSOATISHQGJ-VALFRTSSSA-N 433.390 4.602 30 10 IJEE COc1cc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)ccc1O 2296179628 MTZCFYLGVZCCCQ-OAQYLSRUSA-N 435.863 4.681 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2cccc(Br)c2)CCC12CCC2 2296224930 PGLLNPKSRRSBDX-MJGOQNOKSA-N 434.374 4.731 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 2296265991 DFXNKUBSWYWTHW-YSIASYRMSA-N 433.390 4.638 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](C#Cc2cccc(Br)c2)NCCC)C1 2296274463 UIJOGBIYMMGHIU-IBGZPJMESA-N 433.390 4.782 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)C1CCCCC1 2296297050 VCYKKTPMLRJQPO-IBGZPJMESA-N 435.406 4.958 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCCCC12CN(C(=O)OC(C)(C)C)C2 2305315681 FNJZUJGEIWIWIL-RUZDIDTESA-N 428.573 4.699 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc1)C2=O 2314527150 HCFWTYLZTRKTAO-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE CCCCCCOc1c(OC)cc(C=NNC(=S)NC2CCCCC2)cc1[N+](=O)[O-] 2318418291 VXQPCUYMCBFAKR-UHFFFAOYSA-N 436.578 4.693 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1 2319671262 XEDJISLOPNMTFS-HSZRJFAPSA-N 430.354 4.732 30 10 IJEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(C[C@H]3CCCO3)C4)C2=O)c2ccccc21 2322307760 DJJBCGGQOVHWAO-HXUWFJFHSA-N 444.531 4.917 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OCC(=O)OCC(C)C 2323459037 QYDJLRHBELTMOS-UHFFFAOYSA-N 442.508 4.577 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])NC1CCCCC1 2323603912 MSOZRVQEJNOCPT-UHFFFAOYSA-N 442.899 4.972 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)c1 2323895688 PELHSNLWKKCIOZ-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)c1 2323921353 OFYJAAZUJIAVGW-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1Cl 2324493775 ASCXNAPZXXIYEI-UHFFFAOYSA-N 445.943 4.939 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4F)cc(C)c3C2=O)o1 2325532543 YHNIEGAGPYLRDU-UHFFFAOYSA-N 443.377 4.947 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325549663 AVAGQVFHLYUJPW-UHFFFAOYSA-N 435.863 4.988 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1C(=O)O 2326058148 AMERDJIJZJQBEP-UHFFFAOYSA-N 444.944 4.636 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)C)cc1 2327888383 BRNJHZCEXYSDAD-IBGZPJMESA-N 427.618 4.900 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1 2328003291 LONLFQGQDCHGDZ-UHFFFAOYSA-N 442.972 4.644 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)cc1 2330647967 SSDLZMCFXYAUMJ-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330812620 TZSSTVCHGCBYJC-UHFFFAOYSA-N 443.504 4.794 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1O 2331000972 CIDYJSHLUVXVTN-LJQANCHMSA-N 444.944 4.672 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccc(F)c1 2331175051 JWYBQCZNVRXBIQ-UHFFFAOYSA-N 449.511 4.853 30 10 IJEE CCCCc1nnc(SCC)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331331779 QRBFOJQBHUWYRN-UHFFFAOYSA-N 438.553 4.843 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccc(F)cc1 2331635391 WVJPRLVTVAYYND-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 2331708430 OHHQASFPNJMWGQ-OAQYLSRUSA-N 439.464 4.591 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1 2331877092 XVODYYFRSLIJGN-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE Cc1cc(CNC[C@H]2CN(Cc3ccccc3)CC2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2369612637 HVBXOCHMUSXCRH-DEOSSOPVSA-N 448.460 4.542 30 10 IJEE CC1(C)OB(c2ccc(COc3ccc(F)cc3F)cc2Br)OC1(C)C 2377328807 GIRWSHGSOHDJAT-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CC(C)(C)C1=CC(=NOC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C(C(C)(C)C)C1=O 3124265 UMKPTKMPTNVNSJ-UHFFFAOYSA-N 429.429 4.544 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC)c(OC)c2)C3)cc1 21231998 WXSUJOMNBZYPTA-TZIWHRDSSA-N 449.547 4.887 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1OC 41289705 LUJAOKQWWQXYJM-CFRMEGHHSA-N 445.471 4.605 30 10 IJEE CCOc1cccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCc3ccco3)C2=O)c1 59489495 ZADZGGIBBCUXNH-OAQYLSRUSA-N 449.532 4.521 30 10 IJEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccc(C)o3)sc2c1 102704584 NNYABUVHNOYMJJ-LAFOYAEKSA-N 434.473 4.979 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)ccc1OCc1ccccc1 169913556 HFZKWOGHINGHRA-YSMPRRRNSA-N 448.523 4.767 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(OC(=O)c3ccc(F)cc3)cc2)C2=C1CCCC2=O 169930047 PIKKYQIKJWGOGY-QFIPXVFZSA-N 438.524 4.693 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(N(C)C)cc1 169956717 OEUWHXATMJJQHN-HSZRJFAPSA-N 434.536 4.672 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 169959756 BJFCPHODMYVDPT-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE CCN(Cc1ccccc1)C1=C(c2ccc(F)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 169989977 NQMPHZYTGALGOF-UHFFFAOYSA-N 425.463 4.504 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccnc2)cc1Cl 170009125 KSTHEUWIGMGVPL-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 170039016 HUEAFJBHOKEIJQ-XMMPIXPASA-N 431.488 4.776 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)c1 170093552 ODGAJFQHAMBGEP-OAQYLSRUSA-N 443.411 4.595 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccco2)c1 170097679 FKAXFYHLGKLHDY-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC)c(OCC)c1 170127705 PWMWFFWTYNTBLE-OAQYLSRUSA-N 427.472 4.530 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170135376 KLOMFIHEHVKZGO-XMMPIXPASA-N 436.467 4.719 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC(C)C)c1 170148329 UVDQTIBNDQJTLH-HOYKHHGWSA-N 449.547 4.712 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccnc2)cc1 170186072 PZLCZXKWKSATNA-XMMPIXPASA-N 440.499 4.752 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(Cl)cc1 170235791 VGSOVQQZIAILPH-NRFANRHFSA-N 443.927 4.580 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccc(C)o1 170309271 KCXHGAPGHLVJGJ-LJQANCHMSA-N 433.888 4.637 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2oc(C)c(C(C)=O)c2C#N)c(Br)c1 170528330 MQMKVBJHTJLMPL-UHFFFAOYSA-N 433.302 4.785 30 10 IJEE COc1ccc(/C=N/N=C2/S/C(=C/c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 210530514 JXWGRTZWFOLTGI-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1ccc(Cl)c(C)c1 254378452 GRJYKYIIQVXOFN-UHFFFAOYSA-N 438.887 4.936 30 10 IJEE CC(=O)c1cccc(NC(=O)C[C@@H]2S/C(=N\N=C3C=C(C)CC(C)(C)C3)N=C2O)c1 254513815 OXSFOEYCEWTMOK-SFHVURJKSA-N 426.542 4.768 30 10 IJEE Cc1ccc(OCc2ccc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)o2)c(C)c1 438589628 HWWOZHVHVXWYJT-UHFFFAOYSA-N 445.519 4.862 30 10 IJEE Cn1cc([C@@H](NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)C(F)(F)F)cn1 446185360 VUUHFOGXEQRBMZ-NEPJUHHUSA-N 448.289 4.645 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(CC)Cc2c[nH]c3ccccc23)nnc1-c1ccco1 468095054 ZZUWANCZADHRMF-UHFFFAOYSA-N 435.553 4.736 30 10 IJEE N#Cc1ccc(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(Br)c1 480123798 WIHOBNKISNNENA-INIZCTEOSA-N 442.361 4.557 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C 500100130 CVGQQHVUZQTJQR-XMMPIXPASA-N 434.588 4.807 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)Cc1csc(C(C)(C)C)n1 507537507 UHWYEFQCCOLCNF-UHFFFAOYSA-N 436.990 4.512 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 508864921 RHOBWPQQXNAUFA-IBGZPJMESA-N 443.345 4.681 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)cc1OCC 526489863 JUHMHZNERYMWLZ-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cc(OC)ccc2OC)c1 526518128 WVXIYUZIMDLAIJ-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1cccc([C@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccccc2C#N)c1 526607047 MJNVIQIKIPYZJC-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CC(=O)c1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccccc3C#N)C2=O)c1 526637144 ZCLROWSEGQOGLT-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526811369 IZNPOKMQWDGTNA-NHDPSOOVSA-N 431.905 4.672 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(Sc4ccc(Cl)cc4)CC3)cc2C1=O 532565535 SDDDFVMKECUSQH-UHFFFAOYSA-N 440.952 4.519 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccccc2)cc1OC 558935701 RTIDOEHCUGSJMB-UHFFFAOYSA-N 445.567 4.725 30 10 IJEE CCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C#N)c3)c2)cc1 586729565 SUADORZKAIGSRL-UHFFFAOYSA-N 428.448 4.631 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCCCO2)c1C 619863313 RXKKRWQLPYAZQK-LEWJYISDSA-N 437.588 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1(C)C 698986817 LDGTVBSKVYEEOB-NRFANRHFSA-N 436.557 4.996 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]2C1 698986890 LWLOQMVPGIGZJN-JKSBSHDWSA-N 448.568 4.853 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccccc1Br 732900876 XTEHCJLITRWLAQ-PBHICJAKSA-N 443.341 4.689 30 10 IJEE C=CCN(C(=O)c1nnn(Cc2ccc(OC)cc2)c1C)c1nc(-c2ccccc2)cs1 1124413997 VFOQEHCAEFGJEK-UHFFFAOYSA-N 445.548 4.600 30 10 IJEE C=CCN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124608890 SEXTZCYBUSGPIT-RTBURBONSA-N 444.622 4.949 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1126567385 BIVUHKDPQJLDBT-IBVKSMDESA-N 425.532 4.991 30 10 IJEE C[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 1126752470 CYVVCCYOTTVLEZ-LVXARBLLSA-N 439.559 4.920 30 10 IJEE C=CCC[C@H](NC(=O)CCCN(C)C(=O)c1ccncc1)c1ccc(C(F)(F)F)cc1 1127418842 LYAYLNVCIIGXLT-FQEVSTJZSA-N 433.474 4.776 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(OC)c1 1128969732 LAEUDRYSASHAEY-UHFFFAOYSA-N 438.524 4.692 30 10 IJEE O=C(O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F)c1cc(-n2ccnn2)ccc1F 1129450870 DLRPLDSVXNAQDC-OAHLLOKOSA-N 433.283 4.886 30 10 IJEE COc1ccc(-c2ncc(C(=O)N(Cc3ccccc3)c3ccc(C#N)cn3)s2)cc1 1129842742 IDGGEMQKEDLIMD-UHFFFAOYSA-N 426.501 4.932 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1131106168 PIPZMIZBHVITEI-URXFXBBRSA-N 440.609 4.832 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc(OC)c1OC 1136460388 AVNUSJGMPNORDY-GOSISDBHSA-N 432.520 4.897 30 10 IJEE C=CCNc1ncc(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)s1 1136523936 KIOOCMNUGKDNCU-UHFFFAOYSA-N 425.535 4.916 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)C(C)(C)C 1140137618 KFHBOZQEKRWSBU-BJKOFHAPSA-N 445.563 4.914 30 10 IJEE C=CCC1(NC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)CCCCC1 1140820828 HWMBTWNQBVYODM-UHFFFAOYSA-N 438.524 4.671 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 1143689457 CFXZXVDOMYOWHK-FGZHOGPDSA-N 429.605 4.579 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)c1 1148295259 VRTYEGKSYMUJJB-LJQANCHMSA-N 434.561 4.651 30 10 IJEE C=CCn1c(SCC(=O)N(OC)[C@@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 1150312911 FZXGLNWAOYCQBX-LBPRGKRZSA-N 429.373 4.719 30 10 IJEE C#CCOc1ccccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC 1154540671 BEOIMTKUZUWYCO-HXUWFJFHSA-N 438.524 4.692 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3c(F)c(F)c(Br)c(F)c3F)cc2n1 1156690483 MZGJURWJRHNAJH-UHFFFAOYSA-N 428.183 4.794 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](C)N(Cc3ccccc3)CC2)n(C2CCCC2)c1C 1167521406 BPIVQUAIIYOLGE-HXUWFJFHSA-N 447.627 4.627 30 10 IJEE C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1169175308 DODPYQLIZMGNTR-GOSISDBHSA-N 438.531 4.640 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2c(F)cccc2F)s1 1170713624 XBYPPWVOSHNEIM-CQSZACIVSA-N 438.500 4.671 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1 1199786546 FMYBFPATHKAJNF-IBGZPJMESA-N 428.838 4.867 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)CC2 1205447912 ATAZYMDOYUJJQO-OALUTQOASA-N 442.560 4.741 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cc3cccnc3cc2Br)cc1 1211122875 JMPQNLAIXHPYNN-UHFFFAOYSA-N 431.355 4.594 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1214807757 GRPIHDIKEGOBAU-UHVQDMTHSA-N 446.617 4.536 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)c1ccc(Cl)cc1F 1215838678 RUVMZPZHSOLMAG-JOCHJYFZSA-N 429.923 4.840 30 10 IJEE C#Cc1ccc(CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)cc1 1221813176 ZWUGRWJFKXRIPH-QHCPKHFHSA-N 435.568 4.857 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1)[C@H]1CCCc2ccccc21 1223897695 BLLQNHIYUPREHF-VGSWGCGISA-N 432.499 4.968 30 10 IJEE C=CCC[C@H](NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)c1ccccc1 1230626099 XWPGSHRMBDZGRR-FGTMMUONSA-N 441.494 4.791 30 10 IJEE C#C[C@@H](NC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1252478839 GGDIIQNYMIIIMZ-YKSBVNFPSA-N 444.934 4.752 30 10 IJEE C=CCn1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCC(C)(C)C3)nn1 1267607126 XOXKHTLRVYMAPI-UHFFFAOYSA-N 434.565 4.832 30 10 IJEE C=C[C@@H](CC(=O)N(CCC(=O)OC)Cc1cccc(Br)c1)c1ccccc1 1269087582 RGACCSCUBIRLBW-SFHVURJKSA-N 430.342 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)C1CC1 1286424304 BAZZZIRBIOJODO-JOCHJYFZSA-N 429.955 4.650 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1Br 1286553816 GFGNNFUJGYGCGE-AZUAARDMSA-N 445.405 4.926 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1286661294 ZBDQJWBSKLEXPG-FXAWDEMLSA-N 429.609 4.594 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCSc1nccs1)C1CC1 1286739162 REWQWQKPYKJDBB-QZTJIDSGSA-N 447.674 4.990 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@](C)(O)c1cccc(Cl)c1 1286749737 YEGKTRCOGPNPEO-QFIPXVFZSA-N 428.989 4.971 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(C)c1C 1286763425 JBFIQUOMJLUHIL-UHFFFAOYSA-N 436.947 4.517 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCC[C@H](C)C1 1286827219 HLEBJKBNSGOSCG-HKUYNNGSSA-N 428.602 4.650 30 10 IJEE C#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CCCc2ccccc21 1289233260 NHDXKMFVPXQUDS-QFIPXVFZSA-N 434.337 4.788 30 10 IJEE COc1cc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)ccc1OCC(F)(F)F 1291574316 BTEKXBLJIRSDQG-UHFFFAOYSA-N 433.213 4.745 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 1293690658 QTJGEPCAEUDBTQ-HXUWFJFHSA-N 432.561 4.741 30 10 IJEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1 1293808393 FKIYNHPQQUEUEN-RUZDIDTESA-N 445.523 4.761 30 10 IJEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2CCCC(F)(F)F)cc1 1300118528 AQNCOYALFDZBJB-UHFFFAOYSA-N 435.494 4.544 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1300371169 OEJZZPWCPUSYRQ-NRFANRHFSA-N 443.636 4.650 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1300408283 IGHZBIKEBAVSEW-HXUWFJFHSA-N 443.389 4.690 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1301114279 MWOISQMVRUHVIZ-PZJWPPBQSA-N 429.996 4.847 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCSC(C)(C)C1 1301142142 WQCSQHBQKIXEFZ-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1301210917 AAHDJMZRCXXJRI-FPOVZHCZSA-N 437.588 4.747 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCN(CCC)C1 1301270508 INZFCFWSZWZQQU-JOCHJYFZSA-N 432.616 4.707 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H]1CCO[C@@H]1C(C)C 1301354635 FDMDLRCNWQQKID-RCZVLFRGSA-N 449.574 4.657 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(F)(F)CC1)C(C)C 1301367399 NEYJXGAGKHUTCU-OAQYLSRUSA-N 444.574 4.583 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1301446083 XZUKWPOPEYAQJQ-GOSISDBHSA-N 432.515 4.800 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](CC)Oc2cccc(F)c2)C1 1301543100 VKENFNHSXDIEBN-TZIWHRDSSA-N 440.519 4.625 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 1301626001 XIPJYWMERAQYFS-UHFFFAOYSA-N 449.526 4.810 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 1301668630 AEEZWEOQJLZZPG-INIZCTEOSA-N 430.936 4.929 30 10 IJEE C=CCOc1ccc(CN(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C(C)(C)C)cc1 1307570483 LBBVMEZVXSPCSP-SFHVURJKSA-N 430.539 4.878 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(C)(C)C(=O)OC)cc2)c1 1309151413 CUUVHOWFYGRHNX-UHFFFAOYSA-N 447.556 4.514 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c1 1310905981 GFXSCLCWUIAYIX-MRXNPFEDSA-N 443.429 4.894 30 10 IJEE C=C(C)COCCNC(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1311738527 PJUNICJDVBCQFO-UHFFFAOYSA-N 438.959 4.627 30 10 IJEE C=CC[C@@H](NC(=O)NCc1ccc(Br)c(Br)c1)c1ccncc1 1312019431 IPRPGRBEOAOXJH-MRXNPFEDSA-N 439.151 4.723 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1312644535 BXDZPQMJZOBANV-IBGZPJMESA-N 432.351 4.887 30 10 IJEE COC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)CCCCC1 1315269491 HAAWLZWGRDWJLZ-SFHVURJKSA-N 441.551 4.646 30 10 IJEE C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)c1 1351888269 WKUZQWPOKLZDQM-UHFFFAOYSA-N 432.545 4.916 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1ccccc1 1352596751 SXRHFHUEDXSAJJ-HXUWFJFHSA-N 428.935 4.904 30 10 IJEE C=CC[C@]1(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1353283677 JRPPNYYHHAOJDQ-RUZDIDTESA-N 430.589 4.825 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1358916543 OTTICSWKCHDYFX-FQEVSTJZSA-N 438.616 4.962 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1358923615 VDWAQCGTECORCL-OAQYLSRUSA-N 433.644 4.967 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccs1 1358987482 IHVVLLOXVGFQCS-GOSISDBHSA-N 434.634 4.899 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1359132396 WSQZVPQMNNZEAD-HSZRJFAPSA-N 439.604 4.502 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCCC2)CC1 1359158506 VEDTWQKHDLKTEE-UHFFFAOYSA-N 425.964 4.518 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 1359232411 UIQSFYGOWNZBJE-AWEZNQCLSA-N 435.425 4.642 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)CC)n1Cc1ccc(I)cc1 1359266443 AOCNUVMTZZWMCY-OAHLLOKOSA-N 436.341 4.623 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1359341695 FJAIATUXYRKYMU-QFIPXVFZSA-N 442.629 4.795 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccccc1 1439952732 UPOSHDGYWSVMOF-NFQMXDRXSA-N 447.398 4.826 30 10 IJEE C=CCn1c(SCCCN(C)C(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CCCC3 1458813113 BFVWHSZPDWWCJK-UHFFFAOYSA-N 449.642 4.872 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 1460780134 DTXMVZQNIQVODY-MRXNPFEDSA-N 439.350 4.598 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(C(=O)OC)c(Br)c2)cc1 1462166831 SLWVUJYXRXXFOG-UHFFFAOYSA-N 443.341 4.662 30 10 IJEE C=C1CCN(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)CC1 1463043696 OSODWWSSPOSVIG-UHFFFAOYSA-N 426.307 4.721 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccccc3NCc3ccccc3Cl)CC2)c(F)c1 1464697882 AEWUUXCCMGATOM-UHFFFAOYSA-N 448.929 4.925 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)c1ccc(Br)cc1 1465421850 CSTIQFPQLGJZDS-MRUHUIDDSA-N 442.357 4.559 30 10 IJEE Cc1cc(Br)cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 1466217319 DBNSHXPUNXRNQV-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1ncc(C)c(OC)c1C 1466816372 DKJCTEPUWFSQBN-UHFFFAOYSA-N 434.334 4.698 30 10 IJEE C=CCc1cc(CNC(=O)NCc2ccc(C)cc2OC(C)(C)C)cc(OC)c1OC 1468361096 HRORTRDKJSCQTP-UHFFFAOYSA-N 426.557 4.917 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(=Cc3cccc(OC)c3)CC2)cc(OC)c1OC 1468362285 VXAVIERASVUABG-UHFFFAOYSA-N 436.552 4.830 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 1468988987 ZSMIAYYJQYUWNM-HXUWFJFHSA-N 427.932 4.555 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)C1 1469919584 COAUTZRWKRHLIG-LJQANCHMSA-N 442.581 4.623 30 10 IJEE Cc1c(Br)cccc1CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1471305160 HZHYZJCVNKWISL-PZJWPPBQSA-N 426.358 4.781 30 10 IJEE C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1(c2ccccc2)CCCC1 1478456618 BZOXTMLZOSRFPW-QFIPXVFZSA-N 430.596 4.676 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507558419 XAJQLHUHYYBQOB-FUDKSRODSA-N 437.632 4.757 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1507566679 KEAAKTVYRJYWTC-JOCHJYFZSA-N 435.616 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCSC1 1507763893 FUPTUZCYTBLBOW-OPAMFIHVSA-N 432.540 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1c(F)cccc1F 1507795765 FLQNVCBRHYTUNP-HSQYWUDLSA-N 446.542 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCn1cc(Cl)cn1 1507813417 YWRSBTQYCXWUCV-LJQANCHMSA-N 442.995 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC1CCN(CCC)CC1 1507814757 FGGCBFXQDFXSMK-UHFFFAOYSA-N 431.575 4.672 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1507826180 ISHYZXNYZSPBOJ-ILBGXUMGSA-N 431.584 4.834 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1507877310 HRTINSLERKZCOJ-JOCHJYFZSA-N 432.528 4.845 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1507900289 IRDJEDYNXKUKEJ-IEBWSBKVSA-N 430.980 4.561 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 1507901510 LBVSARYMYURKAF-OAQYLSRUSA-N 439.604 4.775 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C(N)=O)CC1 1507926920 WBFBXEXMXARDDG-UHFFFAOYSA-N 444.004 4.871 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc2c(c1)OCO2 1507937766 UISGBRVRXOVBNS-DENIHFKCSA-N 440.588 4.918 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCCCO1 1507960009 UWKCYVUTKWYGJD-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1507967741 NDLKVETXKARQCA-PMOQBDJRSA-N 440.588 4.709 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCc1cccc(C)n1 1507972006 WZYAEBUWWVDUBR-UHFFFAOYSA-N 426.362 4.666 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1 1508002322 DTIDWQGNIQPNRJ-JYFHCDHNSA-N 431.584 4.804 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@@H](O)C1 1508009820 BPTJVKFYRCTGLS-NLWGTHIKSA-N 430.980 4.801 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1508062523 IDMYWFCAPPQDGJ-LJQANCHMSA-N 431.378 4.537 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCCc2nc3c(s2)CCCC3)C1 1508108869 JEVSQORNXRZTEM-ZWKOTPCHSA-N 429.634 4.541 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)CC=C)C1 1508118148 PQPACYWKISETPY-JOCHJYFZSA-N 432.572 4.514 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)OC1CCCC1 1508150632 OFGQXJSJJTWIMI-UHFFFAOYSA-N 437.407 4.937 30 10 IJEE Cc1csc([C@H](C)Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@H](C)CC#N)n1 1511452902 HTJJHTFJGMDBNC-SJLPKXTDSA-N 433.585 4.588 30 10 IJEE C#CC[C@@]1(C(=O)OCc2cnc(-c3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 1521110564 NQDIALNCNWYZPC-QHCPKHFHSA-N 426.538 4.646 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ncc(C3CCOCC3)s2)cc1C 1521828128 GRCPWZXQPDMFJL-UHFFFAOYSA-N 435.553 4.683 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N(CC(F)(F)F)c2ccc(Br)cc2)c1 1522263046 CUVQWWPAQTXCBP-UHFFFAOYSA-N 426.236 4.596 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1524729398 YPYVZGCPBCYPOR-UHFFFAOYSA-N 425.529 4.618 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1 1526348274 GSYRZMQJUOKUHR-UHFFFAOYSA-N 441.531 4.786 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](OC1CCOCC1)c1ccccc1 1528006338 MUIMAVLAJDVLDP-OAQYLSRUSA-N 446.341 4.889 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nnn(-c2ccccc2)c1C(F)F 1528415911 PSGUMLLXIAYBDK-UHFFFAOYSA-N 449.255 4.785 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2)c1ccc(Cl)cc1F 1528524161 WEOLDRNRSJFXMK-FQEVSTJZSA-N 425.866 4.705 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc(OC)c1OC 1528662444 WOFKHSNEMQNZEN-UHFFFAOYSA-N 430.504 4.615 30 10 IJEE Cc1nc(SCC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)c(C#N)c(C)c1C 1529356478 DKFVNLKBNFGSJK-UHFFFAOYSA-N 428.583 4.503 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 1533271840 LJDHFJWAQOJPJF-UWJYYQICSA-N 432.486 4.911 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1ccccc1 1536283121 MXEURBKYEHGICT-ROKPMTFOSA-N 440.609 4.791 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1 1536870159 BGXQROYGWFTIAP-FQEVSTJZSA-N 444.478 4.686 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1C 1539519857 KOCWJLZMVJZFPE-OAQYLSRUSA-N 437.638 4.650 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1539735199 KTKMNBYVTPWTEW-NRFANRHFSA-N 442.947 4.671 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1539788054 XSJNZVFQUPQQJY-KRWDZBQOSA-N 429.977 4.855 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539836621 VPUBKHIRMJMKJR-MRXNPFEDSA-N 431.968 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1539900107 HOUGCZXWTZCUHH-UHFFFAOYSA-N 433.959 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1c(CC)noc1C 1540050223 YMFSQANXPUZLFN-UHFFFAOYSA-N 430.556 4.882 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC(Cn3nc(C)cc3C)CC2)cc1 1540877214 NTVZSVXPVNDGOF-UHFFFAOYSA-N 448.615 4.745 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@@H](C)c2ccc(OC)cc2)C1 1540887479 XXMYICIOLLMAPR-XMSQKQJNSA-N 436.556 4.830 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(N(C)C)CCCCC2)C1 1540887808 DYZIHJMDNGIPLG-IBGZPJMESA-N 444.023 4.644 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1OC 1543089149 KBVXNROIQSGRCN-ACCUITESSA-N 438.524 4.937 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccncc2)cc1 1543104189 YJUDYHXTNPKENN-NRFANRHFSA-N 425.529 4.849 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C 1543707473 JDFIGQGEUNCIME-PMOQBDJRSA-N 432.564 4.652 30 10 IJEE C#CCC1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CCCCC1 1546105595 OWEYHSSUMBVYDC-UHFFFAOYSA-N 446.956 4.759 30 10 IJEE CSC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)CCC1 1555868207 HZLUVBFYLVKMRL-UHFFFAOYSA-N 439.629 4.890 30 10 IJEE COc1ccc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)c(C)c1OC 1559876643 AYVYYVGBTBNDEE-GOSISDBHSA-N 446.551 4.581 30 10 IJEE C=CCC1(O)CCN(Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)CC1 1560155494 MVWUWSXOUZGELJ-UHFFFAOYSA-N 439.503 4.750 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NCc3ccc(Oc4cc(F)cc(F)c4)cc3)C2=O)cc1 1560437147 FNLDNSCVXZUENQ-XMMPIXPASA-N 433.458 4.914 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 1561662187 BYVVKRVAHHYDFG-PBHICJAKSA-N 439.762 4.589 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 1562117385 FLDZAUKGVDYPSC-JXFKEZNVSA-N 431.330 4.741 30 10 IJEE C#CCN(C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CCCc2ccccc21 1562344695 XHSRTURXBYXFFB-UPVQGACJSA-N 446.551 4.532 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C 1563453395 GKWCHUQHPCUXSH-IFXJQAMLSA-N 438.403 4.929 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2cccc(Oc3ccccc3)c2)CC1 1563521329 DSKMSACKTYSYOO-UHFFFAOYSA-N 430.483 4.521 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc2c1CCOC2 1565146819 PLIQERWPRHCMCG-UHFFFAOYSA-N 433.321 4.559 30 10 IJEE C=C(C)CONC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1583438527 DFLJBZPAQHIDIG-UHFFFAOYSA-N 442.515 4.963 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(I)cc1Cl 1584863670 KDQGRMNLCSXEBS-OAHLLOKOSA-N 425.697 4.862 30 10 IJEE C#CCN(C(=O)CCc1ccc(OC)cc1Br)[C@@H]1CCCc2ccccc21 1585188801 GPNRKVVXYYSMMT-JOCHJYFZSA-N 426.354 4.930 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 1585491529 PBOSXDOHDQBXCP-FQEVSTJZSA-N 440.609 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1sc(C)nc1C 1587594301 UJSMMFJRUIVWBA-INIZCTEOSA-N 447.564 4.697 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1587783241 MPHLCLCYZBAUNU-KNQAVFIVSA-N 447.410 4.989 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCCC[C@H](SC)C1 1587894728 YJABCBDWPRCUQN-SFHVURJKSA-N 430.643 4.714 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC(OC(C)(C)C)CC1 1589036374 FFPCFUFROXLIOF-UHFFFAOYSA-N 449.624 4.644 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)OC1CCCC1 1589116697 KWQZGYRHRCCMCD-UHFFFAOYSA-N 442.629 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1 1589515480 OANOUKMEJFMAOH-BEFAXECRSA-N 447.352 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCc1ccc(Cl)c(OC)c1 1589669266 OQIWKTPWTSUCDP-UHFFFAOYSA-N 425.964 4.571 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C2CCC2)CC1 1589708478 OKDFGSDOQOXQDW-IBGZPJMESA-N 444.023 4.939 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1593605374 SDEISOYUKCDOQB-HSZRJFAPSA-N 428.602 4.652 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)OC(C)(C)C1 1593712067 QYWXZWQHEDIBIJ-ZWKOTPCHSA-N 444.645 4.728 30 10 IJEE C=C(Cn1c(N(C)CC2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1593796617 XTQPSRLBSGIZRQ-OYRHEFFESA-N 437.588 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1594478065 MXUIKPGDWAABAX-UHFFFAOYSA-N 435.616 4.776 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(F)ccc1OC 1594907405 VZUGCANLSREBJL-UHFFFAOYSA-N 437.338 4.587 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1595033335 FYPMFNDSMOTFPH-OAHLLOKOSA-N 437.544 4.526 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc1OC 1626692263 LVRJHASBLBPGNN-XEDBTPMOSA-N 429.557 4.634 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)c1ccccc1 1633305620 DQMOQMQSSVLNEM-FQEVSTJZSA-N 446.551 4.612 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1nc2cc(Br)ccc2n1CC 1635031796 XPAQYHJLZYNMTQ-UHFFFAOYSA-N 441.373 4.759 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 1635729996 HCKFZGUCYJKCKX-FGTMMUONSA-N 440.968 4.510 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 1635757944 RJOIZPRQTXQRFG-UHFFFAOYSA-N 446.473 4.797 30 10 IJEE C=C(CNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1)c1ccccc1 1637270775 BDSLRCTXCKNLRG-UHFFFAOYSA-N 426.925 4.584 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1Cl 1641059811 FELBTSUEEAXNGM-HXUWFJFHSA-N 437.927 4.667 30 10 IJEE C=CCn1c(SC2CN(C(=O)OC(C)(C)C)C2)nc2sc3c(c2c1=O)CCCCC3 1643346837 LUBROSYTAOAOOO-UHFFFAOYSA-N 447.626 4.624 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nnc(-c2ccccc2C)n1CC)c1ccccc1 1648459580 ZYMAGFFOMZMIIV-SSEXGKCCSA-N 440.594 4.605 30 10 IJEE C[C@H](CN1CCN(c2c(C#N)cnc3ccccc23)CC1)c1cccc(Br)c1 1651929279 GYVHBGLWXCGSES-QGZVFWFLSA-N 435.369 4.795 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)CCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652348946 HLLDGZVKRKTAHT-QLFBSQMISA-N 433.643 4.554 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1 1661120274 TYGNLQYLSCZVGF-MGPUTAFESA-N 438.387 4.622 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(c3ccccc3F)C2)cc1OCC 1662563227 FSGURLSJURTTOR-QGZVFWFLSA-N 449.364 4.920 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cc(-c2nc(C)co2)ccc1C 1663294459 KWSBZXAWNPEWCQ-UHFFFAOYSA-N 428.558 4.503 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1)c1ccc(Cl)cc1 1666534126 FSAAMOGQPPSJQZ-LJQANCHMSA-N 431.367 4.631 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)CCOCC1 1667689583 WHPHAAKXIIMILU-UHFFFAOYSA-N 433.961 4.578 30 10 IJEE C#CCC[C@H](O)CNC(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1668454247 ATBHWJWCZNCENE-AWEZNQCLSA-N 437.721 4.791 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccc(Cl)cc1F 1668509313 UNSKHGCYTHZETQ-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE C=C(C)CONC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1670132226 HJMHSXBPQBYEBQ-UHFFFAOYSA-N 426.214 4.587 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc(OC)c1OC 1671058788 QVVMYMBHJTYEIS-IBGZPJMESA-N 426.410 4.674 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1673815722 AQPUHLGXVZHEAP-MRXNPFEDSA-N 448.445 4.644 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1676212830 HPCLFJAKYSHFQQ-OAQYLSRUSA-N 441.494 4.716 30 10 IJEE C#CCN(C(=O)NCC1(c2ccc(OCC)cc2)CCOCC1)[C@H]1CCCc2ccccc21 1677256011 NTRUPWMJNFQVNK-SANMLTNESA-N 446.591 4.856 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(N(C)C(=O)OC(C)(C)C)cc1)C(C)C 1679271269 VRTNLKPWFNQVDS-OAQYLSRUSA-N 430.593 4.878 30 10 IJEE C#CCOc1ccc(CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)cc1 1680128982 CVMXNPSPYHXWMX-UHFFFAOYSA-N 427.715 4.537 30 10 IJEE C=CCC[C@H](NC(=O)NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 1680632956 ILAWBWLKTLLAHI-APWZRJJASA-N 425.495 4.661 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(C(F)(F)F)cc1 1680855925 RGBMJEJMQXHXAC-GBESFXJTSA-N 436.478 4.666 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCc1ccnc(C(C)(C)C)n1 1689954268 REOLBTNKKGUSMR-UHFFFAOYSA-N 440.954 4.527 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCC[C@@H]1C 1690065282 RIXSVBHSZROMMC-XDHUDOTRSA-N 438.572 4.823 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1 1690161779 PWHRAYIGOCPDEG-QGZVFWFLSA-N 439.654 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690422695 XBRSKPXSXJEPFI-UHFFFAOYSA-N 429.565 4.506 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(OC)c2)CC1 1690432426 DHQMCKKDTXBUQA-UHFFFAOYSA-N 425.621 4.804 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1690462820 POBZZUYNJYJJLG-PKTZIBPZSA-N 442.579 4.965 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690477092 ZHYHRXHNBLKXKT-CQSZACIVSA-N 445.892 4.777 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCN1CCC 1690516200 BJBJBJGBLGBNDK-IBGZPJMESA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@H](C)C1 1690556095 MSFRZMFGPCTNHP-NFBKMPQASA-N 431.584 4.901 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1Cc1nc(C)c(C)s1 1690609533 RVLHKVOWUMQKPW-UHFFFAOYSA-N 425.602 4.961 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)cc2SC)C1 1690696597 FTIYSVMKDMUZNY-FQEVSTJZSA-N 435.597 4.508 30 10 IJEE C=CCSCCn1c(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)nnc1C(C)(C)C 1690750490 LMKPDBKISZMJMQ-OAQYLSRUSA-N 427.662 4.596 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CSCCS2)C1 1692850866 BMTTUOABQPKUER-GHTZIAJQSA-N 448.061 4.501 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(OCC(F)(F)F)cc2)o1 1693043147 FJKWWZHDHAGXNG-CQSZACIVSA-N 433.434 4.574 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CCS1 1694922823 FGANTQMDXVRPKK-LJQANCHMSA-N 431.556 4.974 30 10 IJEE CS[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCOC(C)(C)C)C(C)(C)C 1698347082 DXHIVEIAHWSMFN-LJQANCHMSA-N 429.634 4.846 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1CC(F)(F)C1 1698494019 DMRPNZDKKBKJOQ-UHFFFAOYSA-N 437.441 4.722 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1nc(C)c(C)s1 1705481918 OWFPTCUMIGBXFT-LSDHHAIUSA-N 439.654 4.905 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1705511748 FMEVCWMSHPELGZ-HXUWFJFHSA-N 442.007 4.535 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@H](SCC)C1 1705512501 FQJWPMKPWDWYQB-FQEVSTJZSA-N 442.629 4.878 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC(C)CC1 1705604051 DKWPBQDLTULBKZ-PMACEKPBSA-N 444.023 4.651 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N(C)[C@H]1CCSC1 1705748090 BSMAWEAPRUYUQM-KRWDZBQOSA-N 437.009 4.827 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCOC(C)C)CC1 1705771204 LDGCLDAORSJZCW-UHFFFAOYSA-N 432.996 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC2(CCCC2)C1 1705788867 POXAKPPJFZVRNC-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2ccn(C)n2)nnc1-c1cc(F)ccc1Br 1705795293 GWBBDCRSOPYQEN-UHFFFAOYSA-N 433.329 4.926 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1705803600 WHDULVMGHNEMHR-UHFFFAOYSA-N 446.599 4.591 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1705827055 RZUVAIXLPCXAKE-OAQYLSRUSA-N 449.599 4.647 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(F)(F)F)CC1 1705941457 KSLIQPIZUOPMCW-UHFFFAOYSA-N 426.508 4.652 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705948954 JQTZLLUZWKEVMC-RTWAWAEBSA-N 437.613 4.664 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)CC1 1709875513 CSAHOMPOVGVRRT-RBBKRZOGSA-N 439.629 4.745 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(CC)s1 1722282764 OSLRLXXRLBQUHG-QGZVFWFLSA-N 438.597 4.871 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H]2CCC[C@@H]2CC)c1 1722310490 WQKWDSJBYXMASQ-UNMCSNQZSA-N 433.600 4.818 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCCCC1 1722311774 KKAIWXVWYYCYLS-UHFFFAOYSA-N 431.378 4.900 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CC)CCCC1 1722374775 FCMGCIQVXMMSOB-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCSCCn1c(N(C)Cc2cnc(C)s2)nnc1C1(c2ccccc2)CCC1 1722464247 ZCDFOJKSJOTGTC-UHFFFAOYSA-N 437.638 4.516 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(C)s1 1722465559 NZNABIVKBXVQNK-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H](C1CCCCC1)N(C)C 1722473308 RYANMPAJKKQWEN-ZEQKJWHPSA-N 437.607 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC 1722498839 FLUHDWVRJSSTNO-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1=CCCCC1 1722512541 IFFNVNNBLRPEKH-UHFFFAOYSA-N 446.599 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722512624 GZTFVHBIKAQNNR-HXUWFJFHSA-N 427.593 4.897 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC(C)(C)C1 1722554004 CTQOLDFGRHRBNT-UHFFFAOYSA-N 438.016 4.772 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722589869 PLFZEGKDDPUNBW-YADHBBJMSA-N 438.616 4.885 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722637016 OBZWJETYJMPGFG-QFBILLFUSA-N 433.394 4.781 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](C)C1 1722655530 GJCPWHSWWDXNPE-PZJWPPBQSA-N 430.556 4.554 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCc1nccs1 1722667449 ZBBZGEGSSQFCCL-UHFFFAOYSA-N 448.365 4.724 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1722683850 YKDBXNSWKLEXGA-UHFFFAOYSA-N 448.346 4.542 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)CCOC)C1 1722717527 KUDYKYKBXGHFKF-KRWDZBQOSA-N 436.959 4.582 30 10 IJEE C=CCSCCn1c(N2CCO[C@H](c3ccc(Cl)s3)C2)nnc1C(C)(C)C 1722739767 LXZXRCHPBNDIMK-AWEZNQCLSA-N 427.039 4.788 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCC[C@H]1C 1723532728 HYEWTAMEYOSIFJ-KOSHJBKYSA-N 435.597 4.844 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC1CCCC1 1740547585 YERMNCIURXWOFW-LJQANCHMSA-N 446.599 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)Cc1cccs1 1740654371 LVGCDVWQLQYDQO-SFHVURJKSA-N 438.547 4.550 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1=CCCCC1 1740679940 NCIYXYCNMMYHIP-GOSISDBHSA-N 428.964 4.658 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1F)C1CC1 1740712974 AVHSJMASNBKBLU-UHFFFAOYSA-N 441.963 4.668 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cccc(N(C)C)c1 1740922275 ZYVJPEUEHVNWKE-UHFFFAOYSA-N 432.597 4.652 30 10 IJEE C=CCn1c(N2C[C@H](C)C[C@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)nnc1C(C)(C)C 1740950136 QDILACVKCFAZLT-MCMMXHMISA-N 447.942 4.858 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1748727290 ODYZQZLTEIGNHE-QFIPXVFZSA-N 434.613 4.757 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC1CCOCC1 1748727304 OJHGHCRVQYBOHP-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(F)c1 1748832947 BRVYMRTVXWBBSU-SFHVURJKSA-N 432.568 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1749072130 GVJUIWDWCMJRLP-ZYLNGJIFSA-N 439.673 4.679 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(C)CCOc1ccccc1Cl 1749097626 FVICVWRYKGYFFV-UHFFFAOYSA-N 425.758 4.623 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](OC)C(C)(C)C1 1749216973 XBKCCUQENOPYDS-UTKZUKDTSA-N 444.645 4.585 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1749396124 WQOQHRPFZLGJMV-QHCPKHFHSA-N 437.563 4.729 30 10 IJEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](SC)C(C)(C)C)C1CC1 1749519660 OTPQEFVKBCDINW-VQTJNVASSA-N 428.602 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC[C@@H](C)N1CCCCC1 1749529946 PTMSCEKDRSRSTF-OAQYLSRUSA-N 434.632 4.904 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1749749766 PVGGRMJWOSJDPG-SJORKVTESA-N 448.658 4.602 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1751064849 CGGDHFCWPFRMDY-NBQZKYEYSA-N 438.334 4.823 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(C)(C)C 1751258071 DHHUOMMCAJZZLX-APWZRJJASA-N 431.968 4.627 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(Cl)s1 1760279881 KTMYQNBTYNHDMP-UHFFFAOYSA-N 432.018 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cccnc1OC 1760329809 LBLIRBHDGCSIFK-HXUWFJFHSA-N 435.572 4.889 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1760343773 SILWVAABQRMFAP-KBXCAEBGSA-N 449.958 4.663 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@@H](CC)C1 1760370231 KZEMPFIGDXLPCM-SFHVURJKSA-N 434.968 4.500 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2OC(F)F)CC1 1760403035 CYRYKBUXMIBUNR-UHFFFAOYSA-N 439.510 4.510 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)SC)CC1 1760406040 PRMJDHRJBGQUNS-SFHVURJKSA-N 449.665 4.894 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 1760406191 WBGZIADRAJINDG-UHFFFAOYSA-N 444.048 4.888 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760407005 RKDBPTRHRARWCF-UNIVCBNLSA-N 438.616 4.807 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1760417217 YQXBDAOQJMPKPA-CUWPLCDZSA-N 430.568 4.941 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCCC1(C)C 1760457729 FBGCFRYGCPONIH-NRFANRHFSA-N 433.394 4.579 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760497430 FVTPYQYEZSNSON-NVQXNPDNSA-N 438.616 4.539 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC=CO1 1761605755 GMDRFJPQSGERJO-VQIMIIECSA-N 434.569 4.666 30 10 IJEE Cc1ccc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)cn1 1761791118 BQRSTAZJGKJJPT-UHFFFAOYSA-N 438.988 4.716 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ncc(CC)s2)s1 1764570354 ANRHNKPHKMFTSP-UHFFFAOYSA-N 449.609 4.539 30 10 IJEE COCCCN(C(=O)CCc1cccc(OC)c1)[C@H](C#N)c1cccc(Br)c1 1857958225 HTWPUQZSVQQXTO-OAQYLSRUSA-N 445.357 4.520 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861585487 RXTQRZUJIHLRAE-AZBDZEDCSA-N 432.605 4.869 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862415105 PFZFYHHIXNBRKG-OAQYLSRUSA-N 429.463 4.703 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc(Br)c1)c1ccccc1Cl 1862438629 CSQVVJODZWWLPO-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CC2)cc1 1862469699 UKXSGAFIHCPUJV-LJQANCHMSA-N 442.309 4.589 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1c(F)cccc1Cl 1862480231 ARYTXVQAJTYSQO-HXUWFJFHSA-N 431.891 4.792 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862515749 FDBNRNHXCPPJGF-QHCPKHFHSA-N 448.519 4.572 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)c(OC)c2)cc1 1862531461 OAZYHLAPGRDZRR-QFIPXVFZSA-N 449.528 4.803 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(C)c2)cc1 1862554488 DQLXTIMAJILANK-OSPHWJPCSA-N 442.515 4.925 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2Cl)cc1 1862561950 ZXFDNEMSIAALRX-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(C)c2)cc1 1862589849 VHTXLLFQGPBAHF-XMMPIXPASA-N 443.499 4.530 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862591336 HEVOLKUCPBKYNM-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(F)cccc1Cl 1862632098 XBSUAORWMYBQGT-LJQANCHMSA-N 431.847 4.586 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C(C)C)cc1 1862744225 WSLGBBSEFUBPRN-OAQYLSRUSA-N 438.480 4.760 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862756420 OJYWYEZIATYZOU-YCRPNKLZSA-N 438.480 4.760 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2F)C1=O 1862924432 NONYHZUIUANYDU-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CC(=O)c1cccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036896 LDHRUPQQNMMPNY-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(F)ccc3F)C2=O)ccc1F 1863093811 HJNFILXYKIFBRZ-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCOC(C)C)C1=O 1863814259 RYHCIUSJKLRVPU-UHFFFAOYSA-N 425.573 4.623 30 10 IJEE C[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc(C#N)c1)C1CCCC1 1867021045 JCTCJSCYZDKKSM-FDDCHVKYSA-N 435.593 4.741 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C(C)=C/c1ccccc1Cl 1868745910 YPPUIYQYPISTHL-YJCCFKNTSA-N 440.946 4.811 30 10 IJEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1cccc(C(F)(F)F)c1 1870136941 RKZVZOFBSZQYTG-UHFFFAOYSA-N 449.820 4.607 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870142670 TUYCOTDIQMTBFI-UYRXBGFRSA-N 427.414 4.596 30 10 IJEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CSc1ccc(C)cc1 1870175473 TYEXDZUJOMCIDN-UHFFFAOYSA-N 445.544 4.863 30 10 IJEE CC1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)CC1 1870348779 MFTGWSRQKFRKAM-UHFFFAOYSA-N 427.548 4.579 30 10 IJEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870456988 UABJVIKHXJHLQZ-OALUTQOASA-N 430.976 4.623 30 10 IJEE C=CCOc1cn(CCCCCO)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870812692 GWUOPCCIMZGIEX-UHFFFAOYSA-N 448.563 4.767 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)cc1 1871396621 OYCRCLVMTYJNRA-DBYZZWJSSA-N 435.520 4.581 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 1871458877 OGEZQPKCCBUHQI-OYKKKHCWSA-N 429.472 4.891 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872028495 NWXFPVLZSUWZQN-QFIPXVFZSA-N 444.597 4.686 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872298888 WYKOHMMCHNLCFB-GOSISDBHSA-N 441.018 4.940 30 10 IJEE CCCCCCCCNC(=O)Cc1nonc1OCCOc1ccc(C(C)(C)C)cc1 1872657186 UHUMCUFJLIGXNA-UHFFFAOYSA-N 431.577 4.844 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c(OC)c1OC 1872788330 HFTYHXYVVKJBDT-INIZCTEOSA-N 440.496 4.702 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCc3ccccc3C)ncnc21 1873619124 ZQDCUNNLFRZVRK-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NCCCO)ncnc21 1873625087 HFNUDCSIJBJZIO-UHFFFAOYSA-N 435.572 4.911 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1ccc(OCC)cc1 1874226829 FSKMTADUEUMSLU-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE OCCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874367680 DSRMAWNQIIJDKK-SSDVNMTOSA-N 425.316 4.748 30 10 IJEE OCCCSc1nnc(COc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874385214 DUJBWVHMCXXLEY-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)cc1 1874442233 WYGIATBEAJZPNR-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C(C)(C)C)cc1OCC 1874485803 NGTLZAMQRNPGSU-XQNSMLJCSA-N 434.606 4.510 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)C)cc1 1874513230 NGZPFXSREZJWIW-YDZHTSKRSA-N 442.541 4.744 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1Br 1874605186 JCYPFOYJXVOEHV-PKNBQFBNSA-N 446.341 4.601 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OCC(=O)OC 1874608791 HTYOYCJYCWOSIF-IZZDOVSWSA-N 445.309 4.634 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)C1CC1 1874693189 ROXHSPODRKQJNE-BQYQJAHWSA-N 446.253 4.577 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1 1875130070 IGQFWWNJSHSALF-AWGFCZPBSA-N 445.309 4.828 30 10 IJEE C=CC[C@@H](COc1nc(Br)c(Br)s1)NC(=O)OC(C)(C)C 1886308264 WNPMJZIOMSQHEU-QMMMGPOBSA-N 442.173 4.516 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 1891151739 XNXPALMRYQKTHF-LBPRGKRZSA-N 437.315 4.944 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(C1)CN(c1cc(Br)ccc1C#N)C3 1965684764 CZZKESKXKWSHKH-SFTDATJTSA-N 432.362 4.548 30 10 IJEE N#Cc1cc(Br)cc(NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)c1 2026166252 IMQMMRHBVHQACC-SCCNAQOGSA-N 426.314 4.580 30 10 IJEE CCc1nn([C@H](c2ccc(C)cc2F)C2CCC2)c(I)c1/C=N/O 2079041940 BDLXUZSGAVKBBM-GVLJNOETSA-N 441.288 4.695 30 10 IJEE CC1(C)OB(c2cnc3c(N(Cc4ccccc4)CC4CCC4)ccnc3c2)OC1(C)C 2116147486 CZIXREKPBAJQQV-UHFFFAOYSA-N 429.373 4.736 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(F)cc(Br)c2)NC)C1 2126685614 SQKCMHWLZNRYKA-QGZVFWFLSA-N 427.358 4.580 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]23CCC[C@]2(C1)CN(c1ccc(C#N)cc1Br)C3 2174814498 IRAANZYCHJCJOD-NHCUHLMSSA-N 432.362 4.548 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181147227 QUEALFIMBDTEFL-XOBRGWDASA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1c1ccc(Br)cc1C#N 2185155637 YSHWCKHCCJQWRC-INIZCTEOSA-N 444.320 4.840 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccccc2Nc2cc(Br)cnc2C#N)CC1 2199683887 GVWHVGGZVMMKQG-UHFFFAOYSA-N 429.318 4.973 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2235735896 VNPVDEVENSQRJR-RBUKOAKNSA-N 435.406 4.958 30 10 IJEE C#CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243924605 IVNGHQJOSCULNR-IZZNHLLZSA-N 444.575 4.858 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2245893435 NDORBTTXRWUCFO-KUHUBIRLSA-N 433.471 4.634 30 10 IJEE CCCN[C@H](C#Cc1ccc(OC)nc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2263839783 UACHAKQCENVGIX-HSZRJFAPSA-N 437.584 4.637 30 10 IJEE C=CCCC1([C@H](O)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266232838 GWNAQPYPFBINCC-MRXNPFEDSA-N 432.305 4.964 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2267184294 UGHRMCWELSMJRH-UHFFFAOYSA-N 444.381 4.709 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2CN1C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2267580811 KHFHFIRSDWUKQD-UHFFFAOYSA-N 442.365 4.553 30 10 IJEE C=C(CN(C)C(=O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268606790 NIWABQGEIARNOG-UHFFFAOYSA-N 444.381 4.910 30 10 IJEE CCCc1ccc(C#C[C@H](N)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 2268743954 XFDHSDXBDQOEAG-VWLOTQADSA-N 448.607 4.772 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296274198 SNXFMHKHIXGHFK-OJAHFUOMSA-N 434.374 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](O)(C#Cc1ccc(Br)cc1)C2 2296275277 YRYQZLWPEXWVHK-JOCHJYFZSA-N 434.374 4.733 30 10 IJEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)c(C)c1 2296540356 YFQIKBGAGKBAJM-UHFFFAOYSA-N 433.558 4.901 30 10 IJEE CCCCCCCCCCCC1=C(O)C(=NCCCCO)C=C(NCCCCO)C1=O 2297628348 CMCVDWOCTJDDIF-UHFFFAOYSA-N 436.637 4.762 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2320933877 MRFFLYLEEBZVJI-UHFFFAOYSA-N 446.580 4.562 30 10 IJEE Cc1c(OCCOc2ccccc2F)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2324851818 WQKUMMMYJOPDOL-UHFFFAOYSA-N 434.419 4.937 30 10 IJEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2325225580 ZZSJGJFETVVYOP-UHFFFAOYSA-N 444.443 4.927 30 10 IJEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2325631276 YJTREDRKPDOCRS-UHFFFAOYSA-N 432.472 4.950 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)C1CC1 2325721783 BPFZJQFHHBQSNL-UHFFFAOYSA-N 446.253 4.577 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccc(F)c1 2326187781 BORCQAPAYBHWAA-UHFFFAOYSA-N 440.544 4.770 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1cnnc1SCc1ccc(C(C)(C)C)cc1 2326315393 IEOXBAUTAJATHH-UHFFFAOYSA-N 440.569 4.776 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCCC)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 2327884489 TZHXVJGADDBVSJ-GOSISDBHSA-N 443.617 4.566 30 10 IJEE CCOc1ccc(C=CC(=O)N[C@@H]2CCNC[C@H]2C(=O)C=Cc2ccc(C(C)C)cc2)cc1 2328297476 PPNUKXUHGADWAI-CLJLJLNGSA-N 446.591 4.599 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)c(O)c1 2328799852 BRJPOZURRLOCCS-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE Cn1cccc1C=Nn1c(COCc2ccccc2)nnc1SCc1cccc(F)c1 2329317345 BSPMHYUYXRQZTC-UHFFFAOYSA-N 435.528 4.647 30 10 IJEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)ccc1O 2330493424 VDOCISOYMHCMBR-UHFFFAOYSA-N 444.560 4.800 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc([N+](=O)[O-])c1 2331165472 OJEXYTJROCOTCO-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)c(C)c1 2331231481 MQSLIKHXMYIFDT-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE COc1cc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CC3)c(OC)c2)c(OC)cc1Cl 2331687969 MENWMJVHLKZPMP-UHFFFAOYSA-N 446.883 4.586 30 10 IJEE C=CC[C@@H](Oc1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCN1C(=O)OC(C)(C)C 2335739400 UDCRQADBGJICAT-JKSUJKDBSA-N 427.295 4.690 30 10 IJEE C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339576942 NMULOZONYBUAAC-ASLVEYIASA-N 444.381 4.751 30 10 IJEE C=CCN(CC[C@@H](NC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2339704032 WQGSRPSLEYQMRC-QGZVFWFLSA-N 427.383 4.840 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C(=O)C#Cc3ccccc3Br)CCC[C@H]21 2358762481 IIJNHWWXXHRKJN-YQVWRLOYSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(Cc3ccc(Br)cc3C#N)C[C@H]21 2361312444 SCQMXHSVZQFUFX-HNAYVOBHSA-N 434.378 4.542 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365057224 JGWIYHAZONCWDO-PSWAGMNNSA-N 445.416 4.970 30 10 IJEE CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 3042770 SCQFRJSUOQWXNC-QYQHSDTDSA-N 432.524 4.626 30 10 IJEE CCOc1ccc(/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)cc1 12797765 UBKRAGFUGCUZSY-MONKAWABSA-N 441.597 4.576 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1C(F)(F)F 20840189 QPZOSWYJPCTXNV-UHFFFAOYSA-N 440.369 4.502 30 10 IJEE COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(Br)ccc2F)c1 21258045 PECVHFJSIWWJAH-GUYCJALGSA-N 444.300 4.601 30 10 IJEE Cc1ccc(-c2nc(/C(O)=N/c3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)cs2)cc1 22302259 WGSYJLGIAKQPOG-HUUCEWRRSA-N 428.583 4.821 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(O)cc1)c1ccco1 32555287 ICEGXYTVFMBOSP-SFHVURJKSA-N 429.350 4.787 30 10 IJEE C[C@@H](Oc1ccccc1)C(=O)N/C(=N/c1ccccc1)NCCc1c[nH]c2ccccc12 32943204 LCUNBUMROCIFIB-LJQANCHMSA-N 426.520 4.571 30 10 IJEE Cc1c(C(=O)c2sc3ccccc3c2Cl)c(O)n(CCCOC(C)C)c(=O)c1C#N 38621575 KKWJHLJJDVTMLG-UHFFFAOYSA-N 444.940 4.648 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 41285155 QCPIWCPQXCVTFF-UCQKPKSFSA-N 446.455 4.856 30 10 IJEE COc1ccc(/C=C2\S/C(=N/N=C\c3ccccc3O)N(Cc3ccco3)C2=O)cc1 47138090 DXMWZBJOGLDEOZ-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OCCC)cc2)S/C1=N\c1ccc(F)cc1 101613703 BJXSASCEYKRPRS-HZYJKNPPSA-N 441.528 4.761 30 10 IJEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1OC 169941241 SUUIJXAOHWGDKY-FMCGGJTJSA-N 440.525 4.630 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC(C)C)cc1 169977917 LUXNDONRGOFZMQ-HSZRJFAPSA-N 449.503 4.835 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccs2)s1 169987615 SFAOTDKFCFFWQQ-MRXNPFEDSA-N 446.937 4.963 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170095021 JBNJCWGYNYEQON-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170118518 UNBIRJOTIRJTNB-HYBUGGRVSA-N 443.499 4.606 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)c1 170129831 BAHGPBIZJDUXRP-QHCPKHFHSA-N 434.536 4.672 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC(C)C)cc1 170151626 RPYMMLVUWCLCFL-XMMPIXPASA-N 445.515 4.852 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)cc1 170172088 URTKMJFVSKMZKF-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)c1 170205134 WQGRXYQNXJVAGU-JOCHJYFZSA-N 426.428 4.625 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311393 HANPOVPVAHKXJM-SFHVURJKSA-N 426.469 4.579 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 170412456 VTSGUZVBEPEFAZ-DEOSSOPVSA-N 442.515 4.540 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 170446257 PZLSBXSQGKKJLM-QHCPKHFHSA-N 440.971 4.959 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC(C)C)cc2)c1 170474050 OQWBTIJNOZWBJT-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE C[C@@H]1CCC[N@@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@H]3C)cc2)cc1 253712563 VZVYOTUPBUMWMH-UIIUTPAESA-N 434.624 4.977 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2[nH]c3ccccc3c2C1 460952951 DLKLVAIKYYHOJX-UHFFFAOYSA-N 437.345 4.656 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc2cc(Br)ccc2[nH]1 468515302 JOZCHAPDWZYELY-UHFFFAOYSA-N 443.301 4.736 30 10 IJEE C=CCN(C(=O)c1sc(Cc2ccccc2)nc1C)c1nc(C(=O)OCC)cs1 501936050 CXRJJYIDPOUCIZ-UHFFFAOYSA-N 427.551 4.508 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 508485825 AFCQSTMFZYZINB-VGOFRKELSA-N 440.494 4.769 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(OCC(C)C)CC1 508858255 QSANFNRHDHILMR-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 508923604 VVBDIBLYKVPBAD-IBGZPJMESA-N 448.596 4.879 30 10 IJEE C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)c(Cl)c1 510130478 GNWOGQFEKCMMSX-INIZCTEOSA-N 431.367 4.844 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1csc(CC)n1)c1ccc2c(c1)OCO2 518904476 KNGDKFIQTIOBKK-UHFFFAOYSA-N 436.533 4.775 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 526823588 YQBUJEPZGTWXPQ-FMCGGJTJSA-N 440.916 4.838 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccn(Cc3ccccc3)n2)cc1OC 551569723 MKAISMSKEMRHGS-UHFFFAOYSA-N 442.357 4.557 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 556995953 RMHOCLRCDFJGLA-UHFFFAOYSA-N 439.579 4.634 30 10 IJEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 559006317 NKIPXZKLZPKFMZ-ROUUACIJSA-N 436.478 4.782 30 10 IJEE O=C(CCCc1ccc(Cl)cc1)NC1(C(=O)/C=C/c2ccc(Cl)cc2)CCNCC1 585838952 JAGKAHAOFJIWMK-MDWZMJQESA-N 445.390 4.837 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)Cc2cccc(C(F)(F)F)c2)cc1 586151811 YBIZBXFFBLNVOB-UHFFFAOYSA-N 440.487 4.987 30 10 IJEE COC(=O)C(C)(C)[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 610804282 UWMGUKRPOOLMNX-FQEVSTJZSA-N 448.548 4.668 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)CCN(C)C3=O)cc1OCC 630061617 QSLXSUJARWQQPE-UHFFFAOYSA-N 445.357 4.653 30 10 IJEE N#Cc1ccc(F)c([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687755673 YJQLOJLNGYLIFG-HSZRJFAPSA-N 430.435 4.752 30 10 IJEE C=C(COCCC)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693652567 XBWYDAPARHYKHZ-HSZRJFAPSA-N 445.648 4.507 30 10 IJEE CC1(C)OB(c2cc(NC(=O)c3ccsc3Br)ccc2Cl)OC1(C)C 699103498 XBWCOLAPRFMZSQ-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE C=CCC1([C@@H](Cc2cc(F)cc(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 722918374 NLKYWDPDNQLRLM-GOSISDBHSA-N 441.385 4.922 30 10 IJEE CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1C 741834888 DTSCWJDYMWYIEO-GOSISDBHSA-N 445.519 4.606 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1C#N 747247621 DVEYFDRRJQNYQI-UHFFFAOYSA-N 428.208 4.670 30 10 IJEE COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2c(Br)cnn2C)CC3)cc1 782324924 IPZMGVOQOLVNEA-FMIVXFBMSA-N 430.327 4.527 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1)c1ccccc1 816986419 FMDNNKAIENUOQK-NQHRYMMQSA-N 432.564 4.900 30 10 IJEE COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 863939500 AXUNMKJUPIIRII-MSOLQXFVSA-N 428.488 4.657 30 10 IJEE Cc1cc2c3c(c1)C(=Nc1ccc(Cl)cc1)C(=O)N3C(C)(C)C=C2CN1CCOCC1 1081156846 LDSUUBANMUGRCF-UHFFFAOYSA-N 435.955 4.624 30 10 IJEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccs2)N2CCC[C@@H]3CCCC[C@H]32)c1 1088664618 GXLHMYMCBYDTSS-OXJNMPFZSA-N 427.570 4.863 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)c3nn(-c4ccc(Cl)cc4)cc3O)c2)c1 1141690322 HSZACQVUCVGEBE-UHFFFAOYSA-N 444.878 4.934 30 10 IJEE N#C[C@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)c1c(Cl)cccc1Cl 1144003051 FQJVPVAVGBHSOP-ZDUSSCGKSA-N 443.212 4.606 30 10 IJEE C=C(C)C(C)(C)C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1160322713 NTRHZWDNUNIFBT-UHFFFAOYSA-N 428.573 4.780 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1)Cc1ccc(OC)cc1 1167115753 JDKLHAVIFLCOAU-UHFFFAOYSA-N 437.565 4.762 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3ccccc3Br)CCCCC2)s1 1190482895 BIGKRAOZCZSZMV-UHFFFAOYSA-N 439.400 4.563 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 1191265704 ZXAWRDHNKIACGJ-OAQYLSRUSA-N 425.525 4.870 30 10 IJEE C=CCN(Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1193413433 NKTHSHVKOHOUGE-JOCHJYFZSA-N 426.463 4.782 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1ccc(OCC(F)(F)F)cc1 1194213789 UXJJGZDQIBRERW-INIZCTEOSA-N 426.504 4.724 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1OC 1200243568 KBXBFRUGGLNVNB-FXAWDEMLSA-N 445.401 4.948 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1227923906 GRBBZNIJDDIXCW-NRFANRHFSA-N 446.469 4.779 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccc(Cl)cc1 1252449975 XCKNREBPHIDAFT-RTBURBONSA-N 433.733 4.560 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2ccc(F)c(F)c2)CC1)c1ccc(Br)cc1 1252459806 XWIOAGCSXXXAMU-HXUWFJFHSA-N 433.296 4.991 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3)CC2)cc1 1253965279 FWMGBOJHDFLPFQ-FQEVSTJZSA-N 426.923 4.519 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c1 1264714654 UZDGRWYQGZENNE-UHFFFAOYSA-N 440.543 4.913 30 10 IJEE C=CCN(C(=O)c1ccc(N2CCCCCC2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1269219592 HCCORWTZACUWCD-VWLOTQADSA-N 434.580 4.870 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)c1ccccc1 1271170070 JZOATPPGNZDSBL-JOCHJYFZSA-N 437.540 4.782 30 10 IJEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccccc1C 1286336357 JKWFCNISCBPRKB-NRFANRHFSA-N 447.608 4.723 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)c1nc(C)cs1 1286434236 VFJJRIMBSUSMLG-FQEVSTJZSA-N 447.608 4.505 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286498312 DYYDRCQWZMDUHE-XMSQKQJNSA-N 438.641 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCSC1 1286518764 JMZUZNJDJBDPQX-PMAPCBKXSA-N 428.577 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1286525606 KZJQNHOKYAGSNX-HSZRJFAPSA-N 428.964 4.647 30 10 IJEE C=C(Br)Cn1c(N2CCc3[nH]c4ccccc4c3CC2)nnc1C(C)(C)C 1286549114 SULNTUXYFYRLHS-UHFFFAOYSA-N 428.378 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1cccc(Br)n1 1286565691 HGWYHRQDXIDHEU-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1286622027 BGDQZMNFQXKNOV-INIZCTEOSA-N 441.919 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 1286673804 GRZZQZOWHLJSOE-UHFFFAOYSA-N 444.505 4.818 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCC(C)(C)C1 1286779288 GEFHNVKVLHAEDX-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC2CCC(F)(F)CC2)c1 1289319685 BUWUMSKZAGYCCC-SFHVURJKSA-N 431.531 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1sccc1Br 1300286579 KWTWEURAZMRHJV-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)C1CCCCC1 1300441403 NGMSNNVHULLPHP-DEOSSOPVSA-N 426.630 4.676 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1300991118 PMGJHMNQRQXZAW-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301208536 YMSUFOJDTLXTBN-AZUAARDMSA-N 445.405 4.988 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN(CC(C)C)C1)C1CC1 1301330797 WYILQUVPZUTUBC-OAQYLSRUSA-N 425.596 4.531 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCS1 1301340124 VONQXXICQMVAQP-VXKWHMMOSA-N 437.613 4.870 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCOC(C)(C)C1)C(C)C 1301366568 FETLYOQYXSYVNF-HSZRJFAPSA-N 437.632 4.567 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301594361 AZQJNDIWHXLBLF-IFMALSPDSA-N 427.662 4.810 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc([C@@H](C)O)cc1 1301956211 GLTPMLHESMJFII-KZNAEPCWSA-N 449.624 4.829 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 1308815291 SIXMOIIDRNNOTL-VNXZQDSDSA-N 426.988 4.923 30 10 IJEE C#CCN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCCc2ccccc21 1310217189 FFZFYWWKWOLZJK-VWLOTQADSA-N 433.621 4.823 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 1310862095 CYIKTIZMMQHVAD-VQIMIIECSA-N 444.373 4.971 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(F)cc1 1310876947 GZZZNBFTWPDHLP-MRXNPFEDSA-N 434.418 4.783 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccccc3)cc21 1311252295 ORWLBFCUSMRRIT-HSZRJFAPSA-N 439.519 4.594 30 10 IJEE CO[C@](C)(Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N)C1CC1 1315142489 DUNPOUFZMDHMBC-CKNGIIGNSA-N 427.618 4.685 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)Cc2ccc(OC)cc2OC)s1 1348354069 FYBBWGIFKWLMNV-UHFFFAOYSA-N 426.991 4.514 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1 1349285922 MJFQETWPJOKOGB-CVDCTZTESA-N 426.582 4.796 30 10 IJEE COc1cccc(-c2cc(NC(=O)COc3ccc(C#N)cc3)n(-c3ccc(C)cc3)n2)c1 1350545188 IBMGPZLYVOOOBD-UHFFFAOYSA-N 438.487 4.746 30 10 IJEE C=CCN(C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1nc(-c2ccccc2)cs1 1355119571 FYYJEQJRFWYUAB-HXUWFJFHSA-N 425.460 4.801 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc(C(C)C)c(C(=O)OCC)s2)cc1OC 1356565413 GJIQKSZBIQAFIV-PKNBQFBNSA-N 430.526 4.669 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1358915597 JJBNYDUVSDLDRS-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1358920636 DMAYTJAYAXXZQQ-UWJYYQICSA-N 438.963 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1CCO[C@@H](C)C1 1359108207 FTCDXIITVPXTMU-JKSUJKDBSA-N 436.398 4.643 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1359118178 SENLUJOZTMSKKD-OAHLLOKOSA-N 444.377 4.688 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359142377 GLNGGQXIXARKBR-YESZJQIVSA-N 437.371 4.687 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1359152063 LJDGAAPHTGTYMK-QGZVFWFLSA-N 448.901 4.678 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2CN(C)C(C)C)CC1 1359178286 OAJUHYRXSJSCPW-DEOSSOPVSA-N 437.632 4.811 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](CC)C1 1359186073 SZYSBINBZSBVOR-SFHVURJKSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1359188282 KPJNEFWYSPPIIS-AZUAARDMSA-N 430.980 4.616 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@](C)(OC)C1CC1 1359261000 UFINJFQKOVRYES-VWLOTQADSA-N 435.547 4.795 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCS1 1359267319 BYRMYBKSJSJKAV-OAHLLOKOSA-N 437.382 4.921 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC=CCC1 1359274684 WMXBFXNLPLMGQF-QFIPXVFZSA-N 442.567 4.517 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(C)no1 1359277007 ZVOOZCMUBWIGMA-UHFFFAOYSA-N 441.894 4.910 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1ccc(C)cc1 1359282878 VTPHIGNXYBLITB-YMPZKCBVSA-N 440.632 4.948 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCCC2(F)F)C1 1359325917 OXJAFURISVBSHU-TZIWHRDSSA-N 446.542 4.772 30 10 IJEE CC(C)(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1OC1CCCC1 1359529820 HPBPTERPYDLTOE-XMMPIXPASA-N 425.552 4.678 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCCC2)C1 1360138637 IDZLJNFXXWDKBE-QHCPKHFHSA-N 434.632 4.954 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)CC(C)C)c1 1435628589 IXMVTEYLKMVXNE-KRWDZBQOSA-N 434.989 4.886 30 10 IJEE C#CCN(C(=O)CCn1nc(-c2ccc(Cl)cc2)n(CCCC)c1=S)C1CSC1 1453161389 MQQSSWVFTJQHJJ-UHFFFAOYSA-N 449.045 4.502 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C)[C@H]2C)c1 1457490137 AYNXMDBJMMBICV-IAGOWNOFSA-N 432.973 4.592 30 10 IJEE COc1ccc(-c2cc(C(=O)N(C)[C@H](C)CC#N)c3c(C)nn(-c4ccccc4)c3n2)cc1 1463425697 FYELLYPZGBVYPT-QGZVFWFLSA-N 439.519 4.779 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Br)cc1 1465402334 JFHQSFDWIRWJSJ-WOJBJXKFSA-N 429.314 4.503 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 1469246750 JXYIKSNJSOSHKX-RTWAWAEBSA-N 448.032 4.779 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)[C@@H](c1cc2cc(Br)cc(C)c2o1)C(C)C 1470958899 HMBWPYFAMHXHTQ-IEBWSBKVSA-N 435.362 4.881 30 10 IJEE C#CC[C@H]1CCCN(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)C1 1478478789 WIBYIQYPZYGXMJ-LAUBAEHRSA-N 426.358 4.573 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1)N1CCCC1 1497225303 BGNNVMYWVJGKAF-IBGZPJMESA-N 444.986 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2)CCC1 1507521408 YHGXHFQVOJLRSO-MRXNPFEDSA-N 438.373 4.616 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@@H]2C)CC1 1507877166 BUBDREIMALSQJV-YCRPNKLZSA-N 449.368 4.554 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCn2cccn2)CC1 1507896255 IKDSAVXHDIDCNG-OAQYLSRUSA-N 434.588 4.724 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H]1C 1507998048 JODPLHPRDUXUFK-KUHUBIRLSA-N 442.361 4.818 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)COC 1508007311 ZRDFQEBHGIOTHO-GOSISDBHSA-N 435.597 4.973 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CC[C@@](C)(CC)O1 1508037753 OMQWLXWIDZCPGJ-RXFWQSSRSA-N 449.599 4.788 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(Oc3cccc(F)c3)nc2)C1 1508109399 LVRZVUPKKWHUSD-NRFANRHFSA-N 437.519 4.558 30 10 IJEE CCC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1)OC 1514322604 AJSTUJXUSVQYBD-TZIWHRDSSA-N 425.577 4.590 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2cccc(C)c2)cn1)[C@@H](Cc1ccccc1)C(=O)OCC 1516156707 SLPTZGFPSPRXMU-VWLOTQADSA-N 444.531 4.985 30 10 IJEE C[C@@H]1O[C@H](C)Cc2c1sc(NC(=O)c1ccccc1OCC#N)c2C(=O)OC(C)(C)C 1517267975 AOMSXIVPYZENFR-KGLIPLIRSA-N 442.537 4.880 30 10 IJEE C=CCc1ccc(OC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c(OC)c1 1521159089 ZNKLCWPTJOQJEM-YCRPNKLZSA-N 434.319 4.856 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)c1ccc(F)c(F)c1 1523652506 SXUDIRRCJCMEEN-SFHVURJKSA-N 434.236 4.881 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1525235971 OYUHAOFYJYKUJP-HMFYCAOWSA-N 431.363 4.816 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(OC2CCOCC2)cc1 1526174493 BKWCHZQQAYDKFJ-INIZCTEOSA-N 432.442 4.818 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 1528005952 CZRTYXBTERFLMK-UHFFFAOYSA-N 431.286 4.983 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccco2)nc2ccc(C)cc12 1528149878 GNBYODZTMHECSL-UHFFFAOYSA-N 425.488 4.964 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCCC1(F)F 1539147232 DHXCOTKEFZWESJ-ROUUACIJSA-N 432.515 4.712 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1539780870 WUDHYFJWPHWHQM-QGZVFWFLSA-N 429.977 4.855 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1539832741 XYTJZNWYNUMHJU-AZUAARDMSA-N 443.389 4.845 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC2(CCOCC2)C1 1539975137 MTPWKHOOWHQBID-WOJBJXKFSA-N 448.677 4.655 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1540077953 VQDRNUUXQBTDCA-OALUTQOASA-N 431.575 4.527 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@@H](C)C1 1540126850 LSDXBANUUWRLMD-DLTYFMDKSA-N 449.599 4.503 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CCCCC2)C1 1540885648 MZLVSIDFJUXXSB-HSZRJFAPSA-N 449.599 4.585 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C)=C(C)C1 1540912409 XLVUKXKAQPXLNQ-UHFFFAOYSA-N 428.602 4.818 30 10 IJEE C=CC1(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCCCC1 1543138330 SZIPBJMHRPZQDK-HXUWFJFHSA-N 430.390 4.685 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OCC 1544344865 MMENZGWNWFNKRD-GFCCVEGCSA-N 449.750 4.780 30 10 IJEE CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n[nH]1 1557147518 BLIPQUFQZUXJMB-UHFFFAOYSA-N 438.871 4.935 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@]2(C)Cc2cccc3ccccc23)c1 1561776485 ZBVDQQHVPHSUDI-AREMUKBSSA-N 448.588 4.542 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NCC1(c2ccc(Br)cc2)CCC1 1562255524 GMWAYBBKAKNNGR-UHFFFAOYSA-N 428.330 4.963 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2C)c1 1562566614 RHXGWOXDNSUQES-UHFFFAOYSA-N 443.551 4.528 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(c2cccc(Br)c2)CC1 1564091724 FPVISCRDJFCPOL-LEWJYISDSA-N 438.369 4.962 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 1565611876 UPSVWEVWUPIDIJ-QFIPXVFZSA-N 448.567 4.891 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1566826390 GPMINBGELUEXQM-UHFFFAOYSA-N 437.887 4.997 30 10 IJEE C=CC1(CC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)CN(C(=O)OC(C)(C)C)C1 1568907792 BEACJTRDXCAQNJ-HXUWFJFHSA-N 448.991 4.737 30 10 IJEE CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1586933436 AOXCBZPYFJPBPC-WPYKKVEZSA-N 435.955 4.749 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1 1587598517 BXGOBKMOGKOHFC-IAGOWNOFSA-N 432.515 4.636 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCS[C@H](C(C)C)C1 1587835542 TVEGJGXECPQHBE-SFHVURJKSA-N 433.419 4.699 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)OCC 1588121448 DUJXTKSPXUBLES-OAHLLOKOSA-N 446.878 4.562 30 10 IJEE N#Cc1cc(F)cc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 1588159114 HKHIQFQIXFTUJI-UHFFFAOYSA-N 438.256 4.964 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1594511573 RNERQSZEPJZMHJ-VXKWHMMOSA-N 438.616 4.537 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1594824746 POHBURZFDGLWJS-SFHVURJKSA-N 432.996 4.976 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCc3ccc(F)cc3C2)nnc1C(C)(C)C)C(C)C 1595170915 MNSMYRISLRIXPE-HSZRJFAPSA-N 439.623 4.976 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2[nH]c3ccccc3c2CC1)C(C)C 1595170923 MWCUBQTYBXSYKU-RUZDIDTESA-N 446.643 4.626 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1595845457 TWXYGPMJNPHXAM-ULQDDVLXSA-N 437.009 4.604 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCCC2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1612680009 HFISRKWLOZZZHP-XJUOHMSHSA-N 434.632 4.975 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CC[C@H](C)N1CCCCC1 1613458824 CXZVFCUPQUPWJA-XUZZJYLKSA-N 434.632 4.824 30 10 IJEE C=C[C@@H](C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccccc1 1620922009 NRDKHAQUWKYAEW-OFNKIYASSA-N 441.499 4.544 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C 1623835922 ZLVGLRVDUKAYLS-UHFFFAOYSA-N 435.524 4.708 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)cc(OC)c1OC 1625993597 KNLOXWHLFVMVIO-DFBJGRDBSA-N 446.588 4.522 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(CC)Cc1ccccc1Br 1626012099 CMGZMHZEDMJBCR-UHFFFAOYSA-N 440.341 4.862 30 10 IJEE C=C(C)COc1cccc(NC(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)c1 1626791244 SPYWZJPWTMXDFC-VWLOTQADSA-N 444.572 4.512 30 10 IJEE C=CCCC[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)c1ccccc1 1630866169 NFBGDTFGLKLYHQ-FQEVSTJZSA-N 444.373 4.576 30 10 IJEE N#CCc1ccccc1CC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1632097971 CYVJXALGZLXNNK-MHZLTWQESA-N 443.978 4.882 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1637848460 SRQQWPOICNVTCB-UKILVPOCSA-N 428.532 4.557 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1Cn1c(C)nc2ccccc21 1637924966 IMXJIGIOWUVKKM-TZIWHRDSSA-N 440.588 4.585 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2cccc(F)c2F)CC1 1638968463 QGLNGJGTVAFKKV-QGZVFWFLSA-N 428.907 4.707 30 10 IJEE CC(C)[C@H](CC1CCCCC1)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1639989219 CYERYCFREHNZAL-QHCPKHFHSA-N 433.600 4.840 30 10 IJEE C=CCC(C)(C)C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1642475369 ZRWQABDPDYZPLP-UHFFFAOYSA-N 444.620 4.833 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccsc2)nc2sc3c(c2c1=O)CCCC3 1643476705 OPKNEHBBOIBJDQ-MRXNPFEDSA-N 432.592 4.591 30 10 IJEE C#Cc1cccc(N(CC)CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)c1 1644926824 BIQIKUYVUPJRLO-UHFFFAOYSA-N 441.531 4.784 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1ncccc1Br 1651647964 AAIWPLIKIPIWKO-UHFFFAOYSA-N 435.322 4.632 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2n1 1652527538 ASXLDGMNBSNPBM-MSOLQXFVSA-N 426.561 4.834 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N(Cc3cccc(Br)c3)CC3CC3)C2=O)cc1 1654374806 GNRQAJYGLCQQNK-JOCHJYFZSA-N 438.369 4.728 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc3ncccc23)c1 1659248556 JGCDNWBKDZNVQR-UHFFFAOYSA-N 445.496 4.798 30 10 IJEE COC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccc(C(F)(F)F)c1 1660186235 CCTNKFQVNBSPOZ-CQSZACIVSA-N 445.356 4.529 30 10 IJEE C[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 1666718504 AMOTYKAHZSOAPN-GOSISDBHSA-N 438.547 4.908 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 1669099021 QFBSQIZMSPGQTD-LJQANCHMSA-N 434.483 4.717 30 10 IJEE Cc1csc(NC(=O)N2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)c1C#N 1669739816 FORBZGBIVCUKJO-WMLDXEAASA-N 434.359 4.668 30 10 IJEE C#CCN(C(=O)Nc1cccc(C2CC2)n1)[C@@H]1CCOc2ccc(Br)cc21 1670226395 HMANCRXQAUGQDO-GOSISDBHSA-N 426.314 4.712 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C)c(Br)c(C)n1)c1ccc(Br)cc1 1670389975 SUKDXWSKZYSYIY-AWEZNQCLSA-N 437.135 4.719 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 1672708305 KDHKPDCCRZMSTK-LJQANCHMSA-N 444.373 4.752 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C(C)C 1675965087 YFSMXXSKHLMSKL-SJORKVTESA-N 444.567 4.750 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC(C)CC1 1689831482 LSSUJJHLKXWRLC-IBGZPJMESA-N 448.640 4.567 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1689878759 UDGZUCPIMLSGNZ-ROUUACIJSA-N 444.421 4.866 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCOC(C)(C)C 1690054776 HPCOPOJKFXMNQK-UHFFFAOYSA-N 431.005 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1690247842 HCTCEGSOSHFXKS-KPLVRAHFSA-N 445.007 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1nc(C)no1 1690258398 DZNJHSIMBJUNAW-INIZCTEOSA-N 440.617 4.858 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1690412444 QQUQDFMKEPXEJL-UHFFFAOYSA-N 437.510 4.654 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690422656 VSPYOQMDYANRHU-JOCHJYFZSA-N 437.632 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC)C1 1690428169 GZHQGQOZHWONNG-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1690441561 AVKKQZHREATKHX-IBGZPJMESA-N 447.974 4.723 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690451473 HOOOCGWARCOGDP-CEWLAPEOSA-N 440.544 4.505 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1690515839 VSIQYSJUBVFKIS-VQTJNVASSA-N 427.593 4.746 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1CCC(F)(F)CC1 1690563448 RRGAFRBACYZJLR-UHFFFAOYSA-N 426.515 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1690585753 UQBKEBLYKGWFPL-ICSRJNTNSA-N 445.405 4.947 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690629958 MRTHMILVPJZBHP-UHFFFAOYSA-N 438.732 4.661 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690633046 FHOLWTUFOWLILB-QGZVFWFLSA-N 438.450 4.766 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[C@H]2C[C@H](F)C2)C1 1690685602 AJNQBCLTHMERCG-GXRSIYKFSA-N 442.579 4.954 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCc2ccc(Cl)s2)C1 1690694829 WJNHMMFSYKGTSN-INIZCTEOSA-N 444.988 4.693 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H]1C 1690737029 XCEVSZKTQFKPNN-QWHCGFSZSA-N 427.437 4.923 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1cccs1 1690993277 HUSAXTNLRLIXID-CVEARBPZSA-N 429.977 4.972 30 10 IJEE COCCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)CCCC1 1697940564 BLTKHDGOIFHVDB-MRXNPFEDSA-N 433.959 4.930 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCc1csc(C(C)C)n1 1705617218 XHGZVMJSNNKVTP-UHFFFAOYSA-N 437.613 4.756 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H](C)C#N 1705653982 UWNOIFUQGPWIFQ-QAPCUYQASA-N 446.020 4.651 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C)CC1 1705664072 JKNRFOKCSPYDCA-UHFFFAOYSA-N 426.630 4.892 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705727664 SFIATZPYGBZFHM-OXQOHEQNSA-N 428.533 4.600 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705791538 YNTFMCBQFSPYNO-QUCCMNQESA-N 443.567 4.704 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705822807 RCQFBPKZPHJYPF-NRFANRHFSA-N 434.588 4.558 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC[C@H](C)N1CCCCC1 1705859169 KFUFSNQAHDGDAI-QFIPXVFZSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1csc(CC)n1 1705865078 QNHHHZDGWOBZAV-GOSISDBHSA-N 441.576 4.571 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCCC1CCOCC1 1705866193 JQCIWRJPZMOLAU-OAQYLSRUSA-N 430.618 4.981 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccs1 1706744025 IFAYKWANJWTKIE-ZDUSSCGKSA-N 447.406 4.813 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCCCC2)nc1 1709729994 HOACKFFEQDFSBA-UHFFFAOYSA-N 443.599 4.877 30 10 IJEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1711125629 HZPCPUVCICDCST-AEFFLSMTSA-N 430.434 4.735 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC2CCCC2)cc1 1712879590 GJBCXBFSKZLHON-LJQANCHMSA-N 433.478 4.555 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](c1cccnc1)C(C)C 1722304122 WGBQKTFXSOCTDM-CTNGQTDRSA-N 449.624 4.872 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722339931 HDESTXNJHRMWQE-OAQYLSRUSA-N 449.624 4.982 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC1CC(OC(C)(C)C)C1 1722406016 JQRNLWZLZLVCSL-UHFFFAOYSA-N 446.599 4.779 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722408892 WWMMITKCIKLGCJ-NHCUHLMSSA-N 444.627 4.709 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@](C)(O)C1CCCCC1 1722423133 XFQMGFDHDFWKNL-RUZDIDTESA-N 426.580 4.587 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1722456560 XMIXMFXNXRFMMO-GOSISDBHSA-N 441.626 4.670 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1nc(C)no1 1722470509 UZZPFCMTSXLPQE-OAQYLSRUSA-N 445.354 4.568 30 10 IJEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1722481518 BFXOBXGJNNSAIQ-CQSZACIVSA-N 439.317 4.587 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(Cc1ccc(F)cc1)C1CC1 1722483041 GVEJBSNWUXYGLR-UHFFFAOYSA-N 430.325 4.500 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722523664 HAILVCGAXVGESN-UHFFFAOYSA-N 431.584 4.781 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2nccs2)CC1 1722560536 CFAPRVTXUUGIHS-UHFFFAOYSA-N 430.375 4.563 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1722583830 ZXCMSCXHIKWEEI-CPJSRVTESA-N 440.588 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1COC 1722635710 UUQLZPKHCQEQHE-UHFFFAOYSA-N 433.375 4.586 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCc1nccs1 1724091615 HNAUPJNHJBWUGW-OAHLLOKOSA-N 449.609 4.815 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H]1CCCCN1CCC 1740679404 XJVXGCFPJJOOKI-HSZRJFAPSA-N 425.596 4.520 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1csc(CC)n1 1740710962 FQAJIBXVWKQOIA-UHFFFAOYSA-N 437.594 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccsc1Br 1740726689 KFJPFRSUTKERNL-LJQANCHMSA-N 431.359 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(c3cccc(C)c3C)CC2)nnc1C(C)(C)C 1740768131 UCVFAUJTJBHZRP-GMAHTHKFSA-N 437.632 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740769690 QZEAEDJEDQARSL-WOJBJXKFSA-N 437.588 4.593 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740806119 GOZLFMZPFWISLS-UHFFFAOYSA-N 449.958 4.720 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(C)CCCO2)CC1 1740833367 OLBIEJRPYDOCIB-CLOONOSVSA-N 440.588 4.788 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740835962 KWSCUIMVCKHLKG-HJPURHCSSA-N 432.515 4.500 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)C1CCCCC1)c1ccccc1 1740853365 BSYPIVFSEHWPEG-AJSBUHFISA-N 435.616 4.994 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740868585 NVCBDIOLOBCEJA-AEFFLSMTSA-N 440.523 4.599 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1cccc(O)c1 1740871251 VRNJMVBDZULLAE-OAHLLOKOSA-N 444.377 4.915 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1740889308 LRFNDGXPUUXATI-IPJJNNNSSA-N 428.552 4.919 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)c1cccs1 1740903690 HMWLANXKIKSMQR-DEOSSOPVSA-N 440.613 4.746 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1740908181 NOPOAVRSUVBWLL-GOSISDBHSA-N 445.558 4.822 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1740911834 ZUTQAWKZJOOVTR-YLJYHZDGSA-N 429.609 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(F)(F)F)C1 1740975473 VGEQEFUZXPDZMF-OAHLLOKOSA-N 426.508 4.619 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cccs2)CC1 1749288325 RPHFYIDSGIKNGO-UHFFFAOYSA-N 432.391 4.507 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1749295845 BASRZOSHMUWPRK-UHFFFAOYSA-N 443.473 4.624 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1749312921 YLHRRIGVEALGEW-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCN(CC)C1CC1)C1CC1 1749511022 DBCVLNSERWGROF-UHFFFAOYSA-N 444.421 4.655 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C)C1CC1 1749511395 WMNCWZULYFAYAH-MRXNPFEDSA-N 445.995 4.914 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC1C[C@@H](C)O[C@H](C)C1 1749544350 FCSQFZSBGRPCDN-WOJBJXKFSA-N 449.574 4.799 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2CCC(OC)CC2)C1 1749695363 AOQUSAIDXBWWTK-FQUBMZHMSA-N 445.007 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](c1ccccc1)N(C)C 1760104059 RFBFCTYHMOHPHO-CNNODRBYSA-N 447.652 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCc1ncc(CC)s1 1760124922 MRJURVHYWBJKDQ-KRWDZBQOSA-N 425.627 4.598 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1760130771 LVGDVUZRFAADOY-SFHVURJKSA-N 428.552 4.755 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)CCc1ccc(Cl)cc1 1760139935 UCUZVCMCFMDCKV-UHFFFAOYSA-N 428.005 4.770 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@](C)(OC)CC1 1760149332 GBAIHFMUCYDKJJ-SANMLTNESA-N 448.567 4.926 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1csc(CC)n1 1760165110 JLRDBNKUOBAOAY-UHFFFAOYSA-N 444.608 4.684 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCO[C@H]1CCCC[C@@H]1C 1760224051 WBPSHSZZYDUJRE-UPVQGACJSA-N 448.611 4.532 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1C1CC1 1760228183 WZVUUUGIBVPAND-WIYYLYMNSA-N 442.007 4.548 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(C#N)CC1 1760275360 WFNPKPYOGAPLNU-HXUWFJFHSA-N 437.613 4.531 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760344417 QOCIXGDSTFLTQR-LJQANCHMSA-N 428.577 4.712 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1760392896 DPFJLKBDYNPIBE-YPAWHYETSA-N 442.579 4.880 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cccs2)CC1 1760424041 UJDQCCMZPRLOSP-UHFFFAOYSA-N 432.597 4.557 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760432318 LDIVVQPIMKEDGI-PKOBYXMFSA-N 431.378 4.679 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760441339 FDKYLIJHEHTYMH-OAQYLSRUSA-N 442.677 4.692 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760446091 HDIWFWPTEKPONG-NSHGMRRFSA-N 444.645 4.585 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OC(C)C)nc1 1760457738 FJDYDISBTZJOSH-UHFFFAOYSA-N 448.390 4.622 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(CC)CCCC1 1760479168 GLZJTPNNRUBLRF-UHFFFAOYSA-N 427.556 4.770 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(C)CCCO1 1760500225 FUJMEUTWKIJYNZ-AREMUKBSSA-N 449.599 4.561 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@H](C)C1 1760501619 WYMAJWJKVORENC-HKUYNNGSSA-N 425.602 4.898 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC)c2ccccc2)C1 1760538099 WBHURAZMTGCMKN-WIYYLYMNSA-N 437.975 4.969 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21)N(C)C 1760980134 GTOJYECSVJFGPV-GDKQOWJMSA-N 434.632 4.808 30 10 IJEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@H]1C 1765515618 CCVUGJXOPWSMNR-UYAOXDASSA-N 442.558 4.563 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C/c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 1772759624 VVJZTPJYNQUGQZ-HWVQBVCISA-N 446.532 4.558 30 10 IJEE CC(C)C[C@H](C(=O)N(C1CCCC1)[C@@H](C#N)c1ccccc1)N1C(=O)c2ccccc2C1=O 1858008951 NHBNVDKVUPSMTO-RPWUZVMVSA-N 443.547 4.733 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)[C@H](C)CC 1860944345 SSTPHNGMQUGPER-JPYJTQIMSA-N 444.595 4.847 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C(C)(C)C 1861850405 SAWSUUDYOFKGCC-QHCPKHFHSA-N 446.632 4.942 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862422795 MZXQRDVCPFDOAF-OAQYLSRUSA-N 445.462 4.749 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862431822 PDRJMGXELDOHCQ-IBGZPJMESA-N 441.892 4.591 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1862451514 HQVHZQIBBCPFLP-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccc3ccccc23)cc1 1862518987 YMIKHXIUAXGWQE-MZNJEOGPSA-N 445.515 4.588 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc2cc[nH]c2c1 1862527233 SOPBTKSEEGCBSE-LJQANCHMSA-N 439.309 4.919 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862532788 ZFCYVFGWTQWUOL-HSZRJFAPSA-N 435.520 4.874 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(F)cc1F 1862560646 KDWVVHBQLOGABK-XFPJRNFQSA-N 426.463 4.704 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1c(Cl)cccc1Cl 1862562587 IXXIHQCRQLSTOO-LJQANCHMSA-N 449.334 4.579 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862601056 VHLKCVAVMLQVDQ-DEOSSOPVSA-N 448.563 4.933 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1F 1862640904 UWLRRHVQXWVWCL-JOCHJYFZSA-N 440.515 4.525 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(Cl)cccc1Cl 1862683817 UQVKQCBBBHIECM-SFHVURJKSA-N 438.282 4.747 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(OC)c2)c1 1862702648 ILOIOXRSLVZUTL-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCCO)cc1 1862723533 BZSKJGOVMUZKOS-VWLOTQADSA-N 441.527 4.877 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(F)c3)C2=O)c1 1863032114 BWLSBSXJMIUIKS-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2cccc3c2CCCC3)C1=O 1863065085 VVXHBMVDWMGSAR-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1cccs1 1864484929 MFNCVAVSHXHGJK-LJQANCHMSA-N 430.618 4.605 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN(C)CCCC 1870517566 NKDSURUAECKQDX-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c(OC)c1 1871396560 MKYLYRRJTDAGIF-OZQRMPCGSA-N 437.536 4.812 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C2=O)c1 1871421070 UCMILOCWVPRXKS-JJFYIABZSA-N 430.416 4.537 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872100586 WHLKUADCRPGEDG-AUSIDOKSSA-N 428.598 4.788 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872498470 AZNDAUHBCOSIKF-FQEVSTJZSA-N 434.989 4.859 30 10 IJEE N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774579 VWCZBPBGLZGUKR-HNNXBMFYSA-N 441.306 4.834 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c(OC)c1 1872788453 ITSDRIITLCHWOG-QGZVFWFLSA-N 442.924 4.908 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCc3ccc(C)cc3)cc2[nH]1 1872805174 YASYSWCIVCTUII-UHFFFAOYSA-N 427.504 4.945 30 10 IJEE CCOc1cc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)ccc1O 1874215451 NKLURWKDNNFVBG-FOKLQQMPSA-N 446.960 4.836 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874273331 FJRUVGRELPLEPI-ZZQPOVDQSA-N 427.618 4.684 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccncc2)cc1 1874290528 PQTWXEWTNVKOTN-CVKSISIWSA-N 445.548 4.744 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2[C@@H](C)c2ccccc2)cc(Br)c1O 1874391568 LNFSANRJLZFUIZ-OVMKCGGTSA-N 447.358 4.511 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2OC)o1 1874428024 NPYOVVPPBJVGME-ZVHZXABRSA-N 448.504 4.508 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccn2)cc1 1874452819 ORDIMAHIKZCILZ-MFKUBSTISA-N 434.569 4.506 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1/N=C/c1ccccc1Cl 1874522459 UVEFXRKCODKWPA-YDZHTSKRSA-N 427.961 4.669 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)Cc1ccc(F)cc1 1874706591 PMDQWWODADMCOD-RUDMXATFSA-N 448.446 4.650 30 10 IJEE Cc1cccc(C)c1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707669 QIQVJXVTLGWGMS-PKNBQFBNSA-N 430.456 4.913 30 10 IJEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3OC)c2)cc1 1874717229 GKIAJWYWWWIDPB-RIYZIHGNSA-N 448.471 4.836 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2)cc1 1875112380 FXMIOHGCLIRSBY-UBKPWBPPSA-N 432.472 4.974 30 10 IJEE O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150322 HIKPPLISJDXRAH-QDEBKDIKSA-N 436.847 4.949 30 10 IJEE CC[C@@H]1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1975987051 YKCWIKXGVBXOCX-AUUYWEPGSA-N 435.487 4.858 30 10 IJEE N#Cc1ccnc(Nc2cc(Br)c(Br)c(Br)c2)c1 2034332905 DHZBSDRHVBTERM-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)c(O)c1 2079857132 YFBAJCYZAXTDNX-CQSZACIVSA-N 448.239 4.576 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 2102851609 VWGNSRBVSHRCDN-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCCC 2110504040 OUFBPKKBUCYARE-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 2118157452 WPFMXYSWFXGNRH-QWHCGFSZSA-N 426.330 4.684 30 10 IJEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)N(C)c1ccc(C#N)c(Br)c1F 2118207464 KTNIILYXWFWCKM-CYBMUJFWSA-N 428.346 4.932 30 10 IJEE C=CCN(C[C@H](NCC)c1ccc(Br)c2nsnc12)C(=O)OC(C)(C)C 2137383478 NXFMGEKBIYEMKH-AWEZNQCLSA-N 441.395 4.528 30 10 IJEE CC(C)(C)OC(=O)NCCOc1cccc(Nc2cccc(Br)c2C#N)c1 2162422871 PPXLDATUNNGWPN-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1Br 2180912603 PKRHOGDBIHZAHU-CYBMUJFWSA-N 449.267 4.713 30 10 IJEE CCC(CC)(CC)CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2182262526 ILNSPXWXIKTIMX-UHFFFAOYSA-N 425.220 4.796 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)C=Cc2ccc(Br)s2)C3)OC1(C)C 2194119865 CJTLIWUBEXBLFA-BFUOFWGJSA-N 438.196 4.609 30 10 IJEE CC1(C)OB(c2csnc2CN(Cc2ccccc2)Cc2cccs2)OC1(C)C 2211134775 BUXJZBGXIVEBLE-UHFFFAOYSA-N 426.416 4.706 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C12CCC2 2261835593 NGBOYFSGGQLHQO-RUZDIDTESA-N 445.556 4.553 30 10 IJEE N[C@H](C#Cc1ccccc1Cl)c1cc(I)ccc1Br 2277835528 OETVTVMVKDZTHJ-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2281046285 ADLTVRLTKBIAJU-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2296220747 BFFCGOJILCOIOP-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 2296308422 IKHGPQCRTCYPLQ-VAMGGRTRSA-N 435.406 4.862 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2OCCOc2ccc(C)cc2OC)SC1=S 2297624982 USZABEOJLJPWIO-UHFFFAOYSA-N 441.574 4.849 30 10 IJEE CCCN[C@@H](C#C[C@H]1CC1(F)F)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2302299123 BBRNLUCVSXSRLC-ZIBCJSCZSA-N 436.543 4.512 30 10 IJEE COc1cc(C=C2Oc3ccc(Br)cc3C2=O)cc(Br)c1O 2314519700 YVKQBZOSOISZFV-UHFFFAOYSA-N 426.060 4.542 30 10 IJEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 2314522432 IZHQBKDFUFHKPE-UHFFFAOYSA-N 447.541 4.655 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Oc2ncnc(Cl)c2C#N)ccc1Br 2321014544 YLOULXMWHDIVPW-UHFFFAOYSA-N 425.670 4.903 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(Cc1ccc(F)cc1)CO2 2322052206 OOIKPGNZFNMZRM-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE C[C@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2322466269 LTCBYRHDLZVGAJ-SFHVURJKSA-N 430.460 4.747 30 10 IJEE COc1cc(C=Nn2c(S)nnc2-c2cccs2)ccc1OCc1ccccc1F 2323532730 LQONGCLQDTVBQI-UHFFFAOYSA-N 440.525 4.904 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCC(=O)NCc1ccccc1 2323647138 KFRPYVLKERIAIY-UHFFFAOYSA-N 445.515 4.685 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2323896861 IOUTXNPLTHZQJV-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323933981 LVKFVTPQKOGUQC-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OCCO 2324319178 MDGMQYCVWCJEOI-UHFFFAOYSA-N 431.699 4.931 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2324372212 JEXPJWLIXLHKJL-GOSISDBHSA-N 448.500 4.504 30 10 IJEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)c1 2324972455 GLNOOECLDUHGNJ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(OC)cc1OC)C2=O 2325079329 AVQADUOIQFMJQN-LJQANCHMSA-N 440.492 4.739 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2325117816 CXBUNIMONCFTBT-UHFFFAOYSA-N 430.884 4.613 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)COc1cc(F)ccc1F 2325751084 OFHWLMBJWFINHG-UHFFFAOYSA-N 442.389 4.993 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccc(O)c1 2326881363 ORGVNBYBOVXDRU-UHFFFAOYSA-N 442.541 4.659 30 10 IJEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC1(F)F 2327090186 BNDWMCNOVLBCFF-JWQCQUIFSA-N 440.582 4.538 30 10 IJEE C(=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1)c1cccnc1 2328745069 BVRQISLPVXAZSY-UHFFFAOYSA-N 429.549 4.859 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(F)c1 2329143506 DJJUWHATPDZNKH-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccn1C 2330089611 XDBPAVRTBDLDQP-QGZVFWFLSA-N 446.536 4.851 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)c(O)c1 2330196869 PSGKGXSXGZSKJC-UHFFFAOYSA-N 448.523 4.788 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1F)Nc1ccccc1F 2330627897 LURFWORRCXFWOU-UHFFFAOYSA-N 449.486 4.836 30 10 IJEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 2330640111 FGJWDXZWBZXRRZ-UHFFFAOYSA-N 448.269 4.968 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(F)cc2)o1 2330835180 CQUFQIPACRUUFN-UHFFFAOYSA-N 444.532 4.950 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1 2330970887 SWSDJBIOVPSNRJ-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 2330994314 JFXUHEFYNSDFRY-GOSISDBHSA-N 443.916 4.866 30 10 IJEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCC(=O)N(CCC)CCC)cc1 2331659541 VNXLCGHXFWXOOA-UHFFFAOYSA-N 445.633 4.642 30 10 IJEE CN[C@@H](C#Cc1nc(C)cs1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2338381979 MIHLAZNKMIVOAQ-INIZCTEOSA-N 436.375 4.873 30 10 IJEE CC1(C)C[C@@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CN1Cc1ccccc1 2364744025 TYQLPDLMUHZNOY-NRFANRHFSA-N 445.416 4.570 30 10 IJEE CCC(CC)(CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)N(C)Cc1ccccc1 2364747477 KKYVDOIYPGOJLI-UHFFFAOYSA-N 447.432 4.960 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1OC 2844343 NZTKCMFSTNKUFC-GZTJUZNOSA-N 428.282 4.675 30 10 IJEE O=C1/C(=C\Nc2cccc(F)c2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 20558954 NRNPNAFPAUTMCB-FYJGNVAPSA-N 442.899 4.965 30 10 IJEE COc1ccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)cc1 32972323 DKVLYRZJBLBGKR-UHFFFAOYSA-N 447.583 4.741 30 10 IJEE Cc1ccccc1OC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CN(C)CC2 40570072 VTLMKCMERUOYFT-UHFFFAOYSA-N 429.545 4.614 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 41358198 OBRNNIQTFNANQC-UUYOSTAYSA-N 445.427 4.676 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)Nc1ccccc1 58994396 MHHUSUHBKQQQHD-BUVRLJJBSA-N 444.520 4.774 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1COCC(F)(F)C(F)F 96603036 ORYCRGSXTRJCRU-DJWKRKHSSA-N 440.389 4.780 30 10 IJEE Cc1ccccc1O/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 102965851 JDJBNSKFMQJWSH-XDOYNYLZSA-N 430.323 4.972 30 10 IJEE CCCCCCCCCCNC(=O)c1ccc(NC(=O)Cn2ccc(C)cc2=O)cc1 104052441 CHXUBIYJTSMWKS-UHFFFAOYSA-N 425.573 4.666 30 10 IJEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1ccc([N+](=O)[O-])cc1 105572745 IBMVZLCAKMHNFB-HAVVHWLPSA-N 440.872 4.562 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc3ccccc23)cc1 170044929 PWNCVFNQLWVSGM-GBXCKJPGSA-N 443.499 4.606 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2sccc2C)cc1 170105866 FTFHCUGJHCZWHU-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@H]1CCCO1 170122962 DZQVLWFORDFWSY-KOSHJBKYSA-N 443.499 4.606 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)c(OC)c1 170126627 NQBAGCPNKQMTOP-QHCPKHFHSA-N 435.520 4.571 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(OC)c1 170126767 WEDRDBNFEMOWHX-HSZRJFAPSA-N 431.488 4.845 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)c1 170154031 UKNTYORDGMRNAI-QFIPXVFZSA-N 447.512 4.865 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1 170190662 ZYEFLVPPCGSEIM-HSZRJFAPSA-N 439.471 4.523 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCN(C)C)cc1 170267512 UFFKSPOTXWKELQ-DEOSSOPVSA-N 428.532 4.542 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccco2)c1 170279290 CUVGLJLSTBGHLX-JOCHJYFZSA-N 432.476 4.527 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 170418074 OSYIZLOWZSGEPU-XMMPIXPASA-N 443.499 4.872 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(OC)c(OCc2ccccc2)c1 170439043 FOOPTUXPUHDRRZ-XMMPIXPASA-N 437.536 4.995 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@H]1c1cccnc1 170481711 GAYPUPNOPKZMCA-SFHVURJKSA-N 445.903 4.999 30 10 IJEE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]2CCCC[C@@H]21 195548357 GQYGTAFSWQBURW-JHVJFLLYSA-N 437.927 4.632 30 10 IJEE C=CCn1c(SC[C@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1ccc(OC)cc1 443459962 IJOWMPBSFQPPHS-QGZVFWFLSA-N 449.498 4.854 30 10 IJEE Cc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1NC(=O)c1ccccc1F 484145491 PKOUAFFMJWDZEH-UHFFFAOYSA-N 428.467 4.784 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508788256 BVCMNHIUKIFROJ-LJQANCHMSA-N 446.580 4.566 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2cnn(CC)c2)CC1 508874503 QUSRGGTVWAUGSE-FQEVSTJZSA-N 434.588 4.821 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 526604172 JYNQMMHELXBAAI-QFIPXVFZSA-N 427.416 4.532 30 10 IJEE N#Cc1cccc(N2C(=O)C(Sc3ccc(Cl)cc3)=C(N3CCCCCC3)C2=O)c1 526689513 PCTPOACISHZOOQ-UHFFFAOYSA-N 437.952 4.965 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OC)c1OC 526823488 VTRHFAACVQZYQV-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 549579792 ZNYLBOFQUNMNAI-UHFFFAOYSA-N 427.961 4.847 30 10 IJEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 564380441 RHKUIXKYQKFEND-GOSISDBHSA-N 436.478 4.611 30 10 IJEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc(O)c2ccc(C(F)(F)F)cc2n1 619791729 IHGOKESPCBOLAU-UHFFFAOYSA-N 444.800 4.551 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1cnn2ccccc12 729662566 VNCKKHNOQOSIMZ-XMMPIXPASA-N 440.478 4.740 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1coc(-c2ccc(F)cc2)n1 729685239 ZLVKKVYGYWLEBM-UHFFFAOYSA-N 429.289 4.588 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1ccc(C(F)(F)F)nc1O 731564548 JMZAVQMAAQKULD-SOFGYWHQSA-N 425.769 4.989 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cc(O)nc2ccc(Br)cc12 738662658 UPVJFWFRZNDETH-UHFFFAOYSA-N 447.672 4.616 30 10 IJEE CCN1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 743221733 VXFONEINGPMVQO-OAHLLOKOSA-N 432.446 4.833 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)c1cc(Oc2cccc(Br)c2)ccn1 762258027 AZEJLHLLJVAJHC-UHFFFAOYSA-N 442.244 4.930 30 10 IJEE C=CCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 769745552 MIFHWHWYYRADCH-OAQYLSRUSA-N 448.548 4.580 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CCCN1C(=O)OC(C)(C)C 790663246 YCEOCIRIFMZATF-LJFZDNNRSA-N 447.645 4.593 30 10 IJEE C[C@@H](NC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)c1ccccc1 1084319629 ZKSGQWXEEQPHEH-GFCCVEGCSA-N 449.367 4.527 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)o1 1084643420 NKCXBPJFETWXMF-UHFFFAOYSA-N 439.328 4.580 30 10 IJEE CCOC(=O)c1sc(NC(=O)C/C=C/c2ccc(Br)cc2)c(C#N)c1C 1124068107 AMEXAGGIRFVIJD-SNAWJCMRSA-N 433.327 4.909 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)CCCN1C(=O)OC(C)(C)C 1124388067 VRVLSWAKXYNCMK-JOCHJYFZSA-N 447.507 4.820 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3OCCC)cc2C1=O 1126826108 TYJDMJDMTDJQBL-QFIPXVFZSA-N 434.536 4.775 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2ccc(Cl)c(OC)c2)nnc1-c1ccco1 1129214687 PTCZKTOLPKKPOC-UHFFFAOYSA-N 433.917 4.612 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(Cc3ccc(C)c(C)c3)CC2)CCCN1C(=O)OC(C)(C)C 1129552502 RZDNJEKBJCMJLB-HHHXNRCGSA-N 438.612 4.878 30 10 IJEE C#C[C@H](NC(=O)c1c(C)c2cc(Br)ccc2oc1=O)c1ccc(Cl)cc1F 1129615526 AYGGFMGEJIMECZ-INIZCTEOSA-N 448.675 4.761 30 10 IJEE C#C[C@H](NC(=O)c1cc(C2CC2)nc2onc(CCC)c12)c1ccc(Br)cc1 1129730147 DDECKMJHXKEIEA-KRWDZBQOSA-N 438.325 4.920 30 10 IJEE CCOC(=O)c1c(NC(=O)CN2c3ccccc3Sc3ccccc32)c(C#N)cn1CC 1129832892 DMNTXOVEVHDPTP-UHFFFAOYSA-N 446.532 4.798 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)/C=C(/C)c3cccc(C(F)(F)F)c3)c2C#N)C1 1131603643 CKISHECYCULJHZ-WQLSENKSSA-N 433.455 4.585 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc1OC 1132656829 YWPJSOVVSDEFMW-PYSQHUHCSA-N 427.928 4.963 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)CC2=O)cc1Cl 1136160455 GMAVHQIKKAQINU-UZLBHIALSA-N 428.319 4.582 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(OC)c(Br)cn1 1161107219 BHSOBDXIROLLEL-UHFFFAOYSA-N 431.208 4.689 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@H](C)[C@H]3CCO)c2C#N)C1 1171833069 BWFINQTZNZZSIZ-SQGPQFPESA-N 431.646 4.582 30 10 IJEE C=CCn1c(SCC(=O)N2C[C@@H](C)OC(C)(C)C2)nnc1-c1ccc(C(C)(C)C)cc1 1188123034 YTQYSFVJVKOYTN-QGZVFWFLSA-N 442.629 4.547 30 10 IJEE C=CCn1c(S[C@H](Cc2c(F)cccc2F)C(C)=O)nc2sc3c(c2c1=O)CCC3 1188226407 SPQGWOMFYTYLIY-GOSISDBHSA-N 446.544 4.703 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(CN2CCC(C)CC2)cc1 1199110268 LMBOYNFCLQPYPR-UHFFFAOYSA-N 441.413 4.983 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)CC1 1200154438 PVAZDXNJBUQNQB-UHFFFAOYSA-N 443.466 4.987 30 10 IJEE Cc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)c(OCC(F)(F)F)c1 1215106162 GAYZZQOOQRMORD-UHFFFAOYSA-N 429.345 4.731 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC)c1ccc(F)c(F)c1 1215486466 OLIWJMOAWZMLBJ-QHCPKHFHSA-N 444.526 4.554 30 10 IJEE C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1225596681 DVORMBUUCMEALK-MRXNPFEDSA-N 426.358 4.841 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 1264221210 KWXLMEYAAUSQTN-UHFFFAOYSA-N 433.479 4.938 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 1272901593 CMYWDEPHJRTJBB-UHFFFAOYSA-N 430.247 4.887 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F)c1ccccc1 1277181206 PQISEGGGOXZUQS-OALUTQOASA-N 432.442 4.762 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2CSCc3ccc(Br)cc32)cc(OC)c1OC 1278549255 OYHLYNXTIIORKN-SFHVURJKSA-N 448.382 4.913 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1286279113 STEVOWNTYAYJEJ-HOCLYGCPSA-N 433.503 4.802 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1286355190 GKFFXJBCLVQAGB-UHFFFAOYSA-N 434.632 4.562 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC1CCC(OC)CC1 1286366852 CHQSHYHXXMQTLE-UHFFFAOYSA-N 448.567 4.782 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](Cc2ccccc2)C1 1286544902 OSXFNSGGFIWEBK-GOSISDBHSA-N 443.414 4.908 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1286604951 FDOKEQLRENPVJG-VWNXMTODSA-N 447.583 4.537 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CCc1ccccc1 1286622892 STHGUHAWVDFSGG-UHFFFAOYSA-N 448.796 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286669153 XEXRFKHCDQIUPE-AVRDEDQJSA-N 440.588 4.570 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1286677743 IVXMDFUJTDCPAB-JTHBVZDNSA-N 447.583 4.559 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286694666 XAMNHQIPVOECTG-QZTJIDSGSA-N 446.437 4.901 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1286735469 BIKKFFQJVREHRV-UHFFFAOYSA-N 431.437 4.625 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1286735641 HXVROUSYIGNNGT-UHFFFAOYSA-N 431.584 4.953 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2cccc(F)c2[C@H]1C)C(C)C 1286751955 OYBJKBNUOUXLHS-KNQAVFIVSA-N 425.596 4.802 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1286769482 YDPJECDYKXVLSY-ZWKOTPCHSA-N 438.597 4.502 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCCCCC2)C1 1286770558 GUJIBGNAXWAFGR-FQEVSTJZSA-N 440.588 4.932 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286832469 UDJNSZXHIYUNEH-YLJYHZDGSA-N 428.602 4.582 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1OC(F)F 1293942426 NXJRDSLCSVPPCU-ZDUSSCGKSA-N 439.286 4.594 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCSC2)cc1OC 1294919865 BXDRIANMKWISPZ-ZWKOTPCHSA-N 443.617 4.624 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 1296200486 AKLWTYJOUUAVJJ-UHFFFAOYSA-N 430.851 4.984 30 10 IJEE C=CC[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1300585047 LXNPJVLMJYBHMM-HBMCJLEFSA-N 448.460 4.549 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1nc(C)cs1 1300602777 JFTOYQSMFKACSP-AWEZNQCLSA-N 444.402 4.736 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCc1nc(C(C)(C)C)cs1 1300613765 OPJPFZJQWGOOCA-UHFFFAOYSA-N 444.608 4.950 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(Cc1c(F)cccc1F)C1CC1 1300766543 FMBIHGIRSRYSGH-UHFFFAOYSA-N 444.576 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1nccs1 1300815989 FGMJSRSBFJMACW-RUZDIDTESA-N 449.624 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(C)C 1300819462 RWOGUNXIIXBPRG-HHJKRLRDSA-N 443.636 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300907277 FKMBCFIFCFFNDW-PZJWPPBQSA-N 439.604 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1OC 1301155167 IPGODLFMKRZNBJ-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301227386 RBMMLGHTRFGAEN-UHFFFAOYSA-N 445.489 4.664 30 10 IJEE C=CCCCn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1301234738 PNMUEEDEIAPYFQ-UHFFFAOYSA-N 449.643 4.798 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CCC2)C1 1301542622 DFDNJTSCROJLMK-INIZCTEOSA-N 449.368 4.818 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS[C@H](C)[C@H]1C 1301617337 DEIVEDWDFOIXFL-QZTJIDSGSA-N 427.643 4.531 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCC(C)CC1 1302719043 FSJAUFGPRYOUBU-PMACEKPBSA-N 440.661 4.515 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 1303046257 KNJMJEOUEMLNKF-QQQXLFEASA-N 427.429 4.552 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@H]3c3ncccn3)c2C#N)C1 1307944127 DMQBUUIBNMRWME-APWZRJJASA-N 437.613 4.726 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(Cl)c1Br 1309580175 WTEHTNRECRGZAG-INIZCTEOSA-N 428.779 4.709 30 10 IJEE C#CCOc1ccc(NC(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 1310303477 RGZQTDQFRIFJKX-GOSISDBHSA-N 435.524 4.749 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 1310572254 HCPLLJWUFAOLTL-UHFFFAOYSA-N 436.515 4.932 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](CC(C)C)OC)c1ccc2c(c1)OCCO2 1348530311 OXXLAIQAINQRDX-DEOSSOPVSA-N 425.525 4.617 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(Br)cc1F 1351509632 HFGLQEKWQBVDOW-OAHLLOKOSA-N 428.302 4.504 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)c1cccc(Br)c1 1356181328 HGRSKZFVFMTXOO-ZDUSSCGKSA-N 433.298 4.682 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 1358006691 DFKRUNUJWKSSTH-UHFFFAOYSA-N 439.265 4.708 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCSC(F)(F)F 1358899220 JJKGXSJKKLSGOT-GFCCVEGCSA-N 434.940 4.935 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1359052481 GTHXTSIBEDEJOH-SFHVURJKSA-N 442.629 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H](C)c1ncc(C)s1 1359073836 GNVAYKHBZCMCQA-AVRWGWEMSA-N 449.624 4.980 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCc1cc(C(F)(F)F)ccn1 1359108999 LSWPOJZULGLDTP-UHFFFAOYSA-N 440.473 4.876 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1359118096 OKVMDPQUNORFSE-MRXNPFEDSA-N 444.352 4.755 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359123882 VNPTXOJWUHDZQG-NHCUHLMSSA-N 425.621 4.784 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCOc2ncccc2Cl)CC1 1359176543 DVKFMAHEWSZZSE-UHFFFAOYSA-N 427.911 4.614 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1359200753 PUKDYLKIZRQZGQ-UHFFFAOYSA-N 434.563 4.548 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCN(C(C)C)C1 1359234166 GHIDYMZPAFUUQL-OALUTQOASA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)nc1 1359263838 NPOZZEYPNFPAMZ-UHFFFAOYSA-N 436.629 4.774 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2(CC)CC2)ccc1Cl 1361196748 COJKFTREIPCXKW-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE CC[C@@]1(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CCCN1C(=O)OC(C)(C)C 1444603185 CEQJIXCUOGZOFI-DEOSSOPVSA-N 436.512 4.864 30 10 IJEE C=CCCSCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1452990599 YAKAPURHOMPLIZ-UHFFFAOYSA-N 433.917 4.540 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc3c(n2)CCCC3)nnc1-c1ccc(Cl)cc1 1462611616 ZQVFAHLWKQROOQ-UHFFFAOYSA-N 439.972 4.789 30 10 IJEE Cc1sc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2F)nc1-c1ccc(Cl)cc1 1463280459 CCLKKQJRERVGMD-LLVKDONJSA-N 435.933 4.822 30 10 IJEE Cc1cccc(Oc2ccccc2NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1465098690 DTXLQPFFALLUCX-HSZRJFAPSA-N 440.503 4.976 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@H]1COc1ccc(Br)cc1 1466209530 OGPVRRXXJWTWRX-KRWDZBQOSA-N 429.314 4.536 30 10 IJEE N#Cc1nc(NC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)ccc1Br 1467110058 DRPYRGGDKKYQNY-UHFFFAOYSA-N 449.308 4.639 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)n1 1467146550 IMSKOIMIDJERAW-CABCVRRESA-N 439.507 4.863 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CC)C1 1468779006 BUHOTULTNIHOKW-QHCPKHFHSA-N 438.955 4.905 30 10 IJEE Cc1cccc(CN2CC[C@H](NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)c1 1470712613 HCAVNFMUNHGCRL-NRFANRHFSA-N 429.495 4.802 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)c1 1476103924 JAECITACSPDZSJ-QAKNJHSXSA-N 429.561 4.940 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCC[C@H](O)C2)cc1 1492461366 CYVHXRGPXLYGNV-JXALWOEJSA-N 439.629 4.560 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCc2sccc2C1 1501974499 AFAVLDQMDBOIAD-GOSISDBHSA-N 434.613 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)c(F)c1 1507800287 ZOOFCYLZUGTPRU-PGRDOPGGSA-N 440.519 4.612 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1 1507806020 LYJJICBGKBVKQK-RCZVLFRGSA-N 449.599 4.585 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCCC2(CCOCC2)C1 1507839406 QVAMCOCUYISMRF-UHFFFAOYSA-N 430.980 4.588 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)c1ccco1 1507840206 XWZAUBAKWYFKBD-SFHVURJKSA-N 432.528 4.718 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1507916876 VXEWOSIEZIFDKC-SFHVURJKSA-N 428.650 4.878 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc([C@@H](C)O)cc1 1508006675 JSAXFUINEKLURF-GOSISDBHSA-N 431.565 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccsc1 1508038837 WOHCRPVLLJMESZ-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Br)c(OC(C)C)c2)c1 1521875116 FOSIWVGVUUPERL-KRWDZBQOSA-N 431.330 4.847 30 10 IJEE C=CCc1ccc(OCC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c(OC)c1 1522420442 HDMVGAKIMNUIGO-UHFFFAOYSA-N 437.433 4.808 30 10 IJEE C[C@H]1CCc2sc(NC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)c(C#N)c2[C@@H]1C 1524020259 GCWCKXMWDIXXPS-WDEREUQCSA-N 442.484 4.851 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 1525037793 DEKUBFVXXQEESX-PIPMEXSNSA-N 447.337 4.921 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1OC 1527320030 MLFOTRCXYUEZES-ZRDIBKRKSA-N 446.591 4.788 30 10 IJEE C=CC[C@]1(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)CCCN1C(=O)OC(C)(C)C 1527543146 GQKKSMJIZIEYSQ-HXUWFJFHSA-N 448.432 4.946 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 1528887745 BFPHHHSJOKYNQA-UHFFFAOYSA-N 449.919 4.727 30 10 IJEE C=CCc1ccc(OCC(=O)N=c2sccn2Cc2cccc3ccccc23)c(OC)c1 1531246191 HRBHYZNQQZILTB-UHFFFAOYSA-N 444.556 4.995 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(F)cc1F 1535439308 HTJMMKYWQXRWIT-GFCCVEGCSA-N 438.261 4.634 30 10 IJEE C#C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(Br)cc1 1535484005 UWEKJIJYFLZIAJ-KRWDZBQOSA-N 448.242 4.758 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H]1C 1539319795 GWZUHQSEZCMARS-ZWKOTPCHSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 1539382151 ADLMAVSJWZIQIY-OAQYLSRUSA-N 447.029 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@H](c1ccco1)N(CC)CC 1539541023 XFJNSHFBCTVNTI-ATIYNZHBSA-N 447.583 4.622 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1539735851 VDRDJEAKNOOICF-NRFANRHFSA-N 442.947 4.671 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1539888054 KIVKKJDTRUADBH-IBGZPJMESA-N 429.609 4.595 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC=C(C)C1 1539968167 XEWVSLBCXMEIKD-UHFFFAOYSA-N 429.609 4.905 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1539998728 OGTVLQJYYIICOO-DEOSSOPVSA-N 437.632 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1c(C)cc(C)cc1C 1540139512 HLQGPTKBLUPORY-UHFFFAOYSA-N 437.613 4.644 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CCNC(=O)C(C)C 1540140141 JMMYLGSVUCRTPD-UHFFFAOYSA-N 444.004 4.625 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 1540553948 LLQYKUUUVQFSDI-VIHQBZHPSA-N 430.614 4.770 30 10 IJEE C#CCN(CC(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1)C(=O)OC(C)(C)C 1542792725 HHSJTDSNBSULCQ-HXUWFJFHSA-N 436.552 4.622 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1 1543370231 HOTCDKJPKLUKNV-OAHLLOKOSA-N 432.553 4.923 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C 1545044890 CWCZXWUENMTJRI-SFHVURJKSA-N 433.552 4.741 30 10 IJEE C[C@@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1Cc1ccccc1 1556896988 BCKQJUMPXWGKQQ-IBVKSMDESA-N 425.532 4.938 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC2CCCCC2)C(C)C)nnc1-c1cccc(OC)c1 1559381081 DSKYCSDNZFVVNC-FQEVSTJZSA-N 428.602 4.705 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1c(Cl)cccc1Br 1561959992 OGGXWMFPUUJKAU-SFHVURJKSA-N 438.774 4.804 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(c2cccc(Br)c2)CC1 1564092231 VNMZLWNHNNEYAB-UHFFFAOYSA-N 429.358 4.887 30 10 IJEE C=C[C@@H](C)ONC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1583413184 SSJGJYZSSKSLCF-IQGLISFBSA-N 442.515 4.889 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCCN1Cc1cccc(C)c1)c1ccc(Br)cc1 1584709298 ZNFMAPFIUKZALN-FCHUYYIVSA-N 425.370 4.603 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1csc(C(C)C)n1 1587667735 MCQIEZHCBNIRDR-IBGZPJMESA-N 437.613 4.754 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](OC)C(C)C 1588089385 KIUYXHZKPBEWNF-KRWDZBQOSA-N 426.973 4.557 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1csc2ccccc12 1588200703 ZYXWIMJGNHLPAX-UHFFFAOYSA-N 431.952 4.719 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1588452279 PVCJGCPUAVJLFL-NZQKXSOJSA-N 426.630 4.790 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCCS1 1588594568 IROPYLLMFUKNRY-PKOBYXMFSA-N 444.670 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCOc1ccc(F)c(Cl)c1 1589676491 XJFLKTQPOIWNAQ-UHFFFAOYSA-N 449.983 4.908 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CC1CCN(C(C)=O)CC1 1589694689 QBWCMQKQMHBSIE-UHFFFAOYSA-N 441.645 4.540 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1593671649 OGEPRBVGFWZRTD-UHFFFAOYSA-N 441.595 4.665 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1593741754 WTOFJGZTXYCIKI-HSZRJFAPSA-N 442.579 4.618 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCCC1)C1CC1 1595054880 SYDATUNGEBTTOO-UHFFFAOYSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1nccs1 1595075314 CMRUSVMGSPEJOR-GOSISDBHSA-N 446.580 4.802 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc(OC)cc1F 1595161916 PVYBZSTWXARTTC-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CCOCC1 1595276271 YHWVWTHOADAWLA-UHFFFAOYSA-N 444.645 4.731 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(F)CCC2)C1 1595745451 RUXTXOKCWBNCSP-LJQANCHMSA-N 434.943 4.574 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCC2(C)C)C1 1595752879 DGNCPOMLDRMOTQ-DOIPELPJSA-N 430.637 4.804 30 10 IJEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1596613462 VEBGRIXCYDVONW-DEOSSOPVSA-N 440.609 4.610 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CC[C@H](F)C1 1597261341 ACPAMDVPCRCJCY-UXHICEINSA-N 439.579 4.924 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1613105014 XYHUBOYJDGXMHA-JKSUJKDBSA-N 447.670 4.895 30 10 IJEE C=CCN(C(=O)CN1CCO[C@@H](C)[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1616475929 JQIVJVFNTSXKLZ-KGLIPLIRSA-N 440.396 4.745 30 10 IJEE CC(C)Cc1ccccc1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1616674959 GLXOLNWZDFADKB-JOCHJYFZSA-N 440.385 4.670 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 1618480027 FGLVJKMOPHCWSF-IWRQBJDLSA-N 432.564 4.929 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2Cl)cc1 1625291674 CXKUEASTVHPSDQ-UHFFFAOYSA-N 439.943 4.978 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(Br)c(F)cc3C2)cc1OC 1627103668 PAPBPBBMLVDKTA-FNORWQNLSA-N 446.316 4.760 30 10 IJEE C#Cc1ccc(NC(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)c(Cl)c1 1627814697 KWUPFCOCGVTRCS-HNNXBMFYSA-N 427.715 4.532 30 10 IJEE C#CC1CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CC1 1630856231 GBJDFRVWONPXBX-UHFFFAOYSA-N 438.593 4.579 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 1632367170 ICZHPIQXQUWZOY-KBXCAEBGSA-N 444.457 4.524 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 1633899603 HUICZXHVMLXWHS-SFHVURJKSA-N 446.979 4.586 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1634761383 UGALYJBWGNGPJH-BJKOFHAPSA-N 447.579 4.740 30 10 IJEE C#CCN(C(=O)c1nc(-c2ccccc2)oc1C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1634813761 AEPVYSKZRGEGPB-UHFFFAOYSA-N 449.551 4.694 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 1636709682 JFFQFDXQIWQRNW-OAQYLSRUSA-N 436.543 4.996 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 1640066630 UMAMJZFLDMWENX-HNNXBMFYSA-N 427.888 4.929 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)c1ccccc1 1641665941 NPGTUCVLGVXZNY-NHCUHLMSSA-N 436.518 4.776 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCCN2C(=O)OC(C)(C)C)s1 1644315396 DHOJELQYFTVKAX-UHFFFAOYSA-N 432.011 4.613 30 10 IJEE CC[C@@H](c1ccccc1)N1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 1644703791 BTJFCUBOIBBRIC-DEOSSOPVSA-N 439.003 4.664 30 10 IJEE C=CCOc1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)cc1OC 1645697059 DYBDTLMRIOLUDK-UHFFFAOYSA-N 445.494 4.952 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCCC[C@H]3CC(=O)OC(C)(C)C)c2C#N)C1 1646781101 GWBMCTLCJQMLEU-IRXDYDNUSA-N 445.629 4.659 30 10 IJEE C[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)Sc1ccc(Br)cc1 1649111747 BZZHRWAJUFBSNA-HNNXBMFYSA-N 441.398 4.992 30 10 IJEE C#CCN(CC/C=C/c1cncc(OC)c1)[C@H]1CCOc2ccc(Br)cc21 1653389061 SFVRFCLJEPRSFU-LWQICCLCSA-N 427.342 4.715 30 10 IJEE C=CCN(CC=C)[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(C)C 1654983549 TUXCTZORKHAJPN-MRXNPFEDSA-N 425.809 4.624 30 10 IJEE CC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 1661362116 ILCQZCWVNVLHOI-HNNXBMFYSA-N 443.340 4.629 30 10 IJEE CO[C@@H](CS(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1ccccc1 1667057228 AMZUUOHLWKAZEY-DEOSSOPVSA-N 438.524 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)Nc2ccc(F)cc2C#N)C1 1667628132 BUBHFTYVEABOPX-OXQOHEQNSA-N 430.524 4.731 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 1670325745 VRDSUDTYCWJIKT-RISCZKNCSA-N 426.298 4.881 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](COCCC)Cc1cccc(Br)c1 1670866536 NVMMCWFEWMTFMU-IBGZPJMESA-N 445.357 4.621 30 10 IJEE COc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(F)c2)c2c[nH]c3ccccc23)cc1 1675687265 HBBOOYNETOAUNR-QFIPXVFZSA-N 442.494 4.819 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(Br)cc1 1676962403 BROVNVZZYLRSSV-NQIIRXRSSA-N 443.341 4.591 30 10 IJEE C=CCN1CCC(NC(=O)Nc2ncc(Cc3ccc(Br)c(C)c3)s2)CC1 1677312298 FUTXRKBPSFVAMG-UHFFFAOYSA-N 449.418 4.577 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccn1)c1ccccc1OC)[C@H]1CCCc2ccccc21 1681254517 IFLVWUVLLJOTGO-AHWVRZQESA-N 425.532 4.902 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CC)COCC(F)(F)F 1681392315 ODCBIVYDQFPESP-CQSZACIVSA-N 441.263 4.643 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)[C@@H]1CCCc2ccccc21 1681717255 RELOIYUUBZSSOS-CLJLJLNGSA-N 433.596 4.799 30 10 IJEE C#C[C@@H](NC(=O)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1682366383 FEGJQIKURJRVEG-VQIMIIECSA-N 437.943 4.632 30 10 IJEE C#Cc1ccc(CNC(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1 1682680396 VHPNESXOHRDZFH-UHFFFAOYSA-N 448.950 4.604 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccc(Cl)cc1 1683676716 UGFJQBMCLZJAFK-OALUTQOASA-N 433.733 4.560 30 10 IJEE C=CCCC1(CNC(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)CCCC1 1687039631 NQGISPLFJPYONN-QGZVFWFLSA-N 441.385 4.565 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)N1CCC[C@@H](C)C1 1689950860 DSWRBFQDTAFVEH-RBUKOAKNSA-N 439.673 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)Cc1cccs1 1690009810 KOOMVBCBFGHTNI-IBGZPJMESA-N 425.561 4.506 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690453869 LVKSRONLTQPMQP-WOJBJXKFSA-N 433.604 4.610 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690467672 FIRJGWXLIDQLMV-LJQANCHMSA-N 448.036 4.685 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H](SC)C(C)(C)C 1690560339 SLIDTDQJYMQWHS-NRFANRHFSA-N 447.612 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc(F)cc1F 1690579862 VPOCFGCVTHJQOI-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)C1)C(C)C 1690583327 HBJCKIXZICKTBP-GSPCLOLRSA-N 443.680 4.742 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1690737539 PFUNAODKSPEHGD-OALUTQOASA-N 442.629 4.752 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCCCCC[C@@H]21 1690750226 DCBDQXLXKLWUJD-UXHICEINSA-N 442.629 4.944 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCCC2(F)F)cc1OC 1697332617 ASMQOWKFABBYDG-WBVHZDCISA-N 433.503 4.526 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCCN(C)C1CCCCC1 1705592264 GNGSHHBCISVWHT-UHFFFAOYSA-N 431.628 4.625 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCCCN1CCCCC1 1705670883 MLMSLLCPUZMBMN-XMMPIXPASA-N 441.023 4.642 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCOc1cc(C)cc(C)c1 1705671128 WXVYVUKWPIXDAT-XMMPIXPASA-N 435.959 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2ccc(OCC)cc2C1 1705700921 AGEVOVHGMOPDMV-YKSBVNFPSA-N 438.616 4.809 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCCOCC)CC1 1705772538 QAJDZQZZZFIEAH-UHFFFAOYSA-N 449.393 4.593 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2ccncc2)CC1 1705777436 AJLNNCYBVZTIDK-UHFFFAOYSA-N 444.402 4.809 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1705783297 AVPLVRKJEHMOBD-RUZDIDTESA-N 444.627 4.749 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705813073 VCIBUIOACIYYBL-QGZVFWFLSA-N 426.952 4.715 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1ccco1)C1CC1 1705849292 IULDLDKQXABPRQ-KBMIEXCESA-N 436.556 4.690 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(F)(F)F)cc1C 1705882278 RNDDTZWHLZHBDV-UHFFFAOYSA-N 434.462 4.861 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1705913066 CNHYKSQOYHEMSB-OFNKIYASSA-N 431.584 4.892 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H](C)Cc2cccs2)c1 1707624223 CLUZRFAMUXOMNC-LJQANCHMSA-N 435.597 4.846 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1sc(C)nc1C 1712792746 COVQSQSVMZOWII-CQSZACIVSA-N 426.615 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(Cl)nc1 1722277543 AAJXQRBKGXXUCD-CABCVRRESA-N 425.989 4.686 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](c2ccco2)C1 1722311604 YOKTZFTXADPTEV-SFHVURJKSA-N 426.467 4.937 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722315531 WTNUIQIZVCVENC-GJZGRUSLSA-N 437.407 4.576 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1722576842 VRHKWSVHIJAKHI-UHFFFAOYSA-N 445.611 4.700 30 10 IJEE C=CCCCCn1c(N(C)CC2CC(F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722612410 ZTKDSAZNWDXGAN-GLJAMUPPSA-N 435.588 4.589 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1oc(CC)nc1C 1722633418 TUEPDMZDJSCHJS-UHFFFAOYSA-N 434.569 4.906 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722642734 NPWWWFCIZZXWGY-CVDCTZTESA-N 442.604 4.719 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1cc(Br)cs1 1722643136 DQNLAIPBFZZSSI-UHFFFAOYSA-N 447.402 4.968 30 10 IJEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1722682068 XGNQFKCGKPIKGN-DBXWQHBBSA-N 430.980 4.931 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(OC(C)C)CC1 1722743187 TZLQAIRWPRDGMS-UHFFFAOYSA-N 439.629 4.594 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CC2(O)CCCCC2)c1 1731178547 AILVFYQVXOPROC-UHFFFAOYSA-N 447.505 4.681 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCCC1 1740559854 WIUQSWXUHGWGAR-GOSISDBHSA-N 432.037 4.558 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740576675 CTEFEVLBJCAQTG-FPOVZHCZSA-N 443.636 4.554 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCc2ccccc21 1740603050 FDRYAUGSEAQLCA-HNNXBMFYSA-N 427.371 4.569 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1740756154 NXADUQXUDDUKKR-GREBRCKQSA-N 425.964 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1OC1CCCC1 1740773017 RQIUHWUICPPWGM-UHFFFAOYSA-N 432.572 4.816 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](F)COC)CC1 1740818148 DFCCKIJNGFNCCH-PKOBYXMFSA-N 436.959 4.829 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2cccc(C)n2)CC1 1740839952 RTERLAHWAVKXOS-UHFFFAOYSA-N 437.538 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740844977 ZQBIMFUZWHHSOU-VQTJNVASSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1740848652 NVZFFFIPOWARHP-NLWGTHIKSA-N 430.618 4.802 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C2CC2)C1 1740867168 ZWSVEKXVHSCCFI-UXHICEINSA-N 429.609 4.943 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1740873592 CKRQVFHDIUARDH-IRXDYDNUSA-N 438.498 4.543 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1740874309 RNTNWQHDVMDFOS-UHFFFAOYSA-N 435.616 4.573 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740878353 LPKNTNCTCYABOA-UHFFFAOYSA-N 445.633 4.638 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740883788 FZAOMYYKWWZPNV-SFTDATJTSA-N 439.648 4.754 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(c2ccccc2)CC1 1740949829 UHOJBXZMUXWOQA-NRFANRHFSA-N 437.588 4.920 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)C1CC1 1748668707 OKMPXZNXVUJYOP-RTBURBONSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1 1748701970 VEDBFUJTNFMVHE-JOCHJYFZSA-N 448.640 4.715 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@H](C)N1CCCCC1 1748873111 LPBARJJBWWXJNE-HSZRJFAPSA-N 445.655 4.970 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(CN2CCCCCC2)CC1 1749196454 ORLRFYFNTDFQTP-UHFFFAOYSA-N 425.596 4.677 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccccc1F 1749218001 GAKZAPAKAASZCY-MRXNPFEDSA-N 429.927 4.923 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCOC(C)(C)C)CC1 1749293268 HHYPLZHAMYQRAR-UHFFFAOYSA-N 425.396 4.741 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccnc2OCCC)CC1 1749343696 PNKATLIQRIUPKS-UHFFFAOYSA-N 431.584 4.812 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1749345519 LDRMUMGJQKEBOT-RUZDIDTESA-N 444.627 4.749 30 10 IJEE COCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1749404478 DYCNVVKEEUZFIL-JPYJTQIMSA-N 441.551 4.504 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccc(C)s1 1749609293 MERZMUZQJLPCJO-UHFFFAOYSA-N 433.375 4.909 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N(CC)Cc1nc(O)c2sccc2n1 1749622720 NDFHSRSEQKEAQF-UHFFFAOYSA-N 426.933 4.521 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCCC1 1752081317 FGVVMTJNKAOLSQ-MOPGFXCFSA-N 440.661 4.746 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(SC)c1 1760097381 DLFBIAPYVHOTAQ-MJGOQNOKSA-N 435.597 4.658 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1760133598 JKULTOKJBHDBRZ-IFMALSPDSA-N 431.584 4.938 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760146986 CUQVEQXJGGGRAS-SFHVURJKSA-N 449.343 4.993 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cccc(F)c2[C@H]1C 1760148318 WFWBNEJKGURIKG-CQSZACIVSA-N 442.336 4.712 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1760158565 OQAYGNPOICXQCS-FXAWDEMLSA-N 443.389 4.802 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1760158568 OQAYGNPOICXQCS-YLJYHZDGSA-N 443.389 4.802 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[C@H]1CCCCO1 1760288908 LEJXOFUIYOLRQH-PIBDYAPNSA-N 440.563 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CC1 1760317225 CJRGETWSKZDJAD-APWZRJJASA-N 431.378 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)c1ccccn1 1760338073 CPLGSWQCYVUNKT-UHFFFAOYSA-N 425.527 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1760339838 YALGHXKKVICESN-UHFFFAOYSA-N 430.980 4.886 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C(CC)CC)N(C)C)CC1 1760392682 ZFKWTPHJGPDLRR-JOCHJYFZSA-N 429.584 4.519 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCc2ncc(CC)s2)CC1 1760406178 VOPLKQXKDYBQEG-UHFFFAOYSA-N 441.576 4.660 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1760406586 HSWNCQFLSTZQGU-DXIQSLLYSA-N 440.588 4.787 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760483973 IKHZRNAUKZRCCK-MSYCTHLASA-N 430.618 4.774 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2OC)n1CC(F)(F)F 1760488288 QPJNZYSDUCPUCY-UHFFFAOYSA-N 438.475 4.682 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1CC(C)(C)C(F)(F)F 1760501161 IFQSCSFODCANPR-UHFFFAOYSA-N 433.478 4.681 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)c1c(C)noc1C 1760504651 XCCXSLWXUBEZLN-KRWDZBQOSA-N 446.555 4.541 30 10 IJEE COCC(C)(C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1 1769171943 HNBYAAFSLCPAFL-UHFFFAOYSA-N 448.615 4.933 30 10 IJEE CC(C)CCOC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 1858698657 SMEMGWJVBXYKHV-UHFFFAOYSA-N 442.541 4.506 30 10 IJEE N#Cc1c(NC[C@H](c2ccccc2)S(=O)(=O)c2ccc(F)cc2)ncc2c1CCCC2 1859800660 UXDYGSNKKSNQQY-HSZRJFAPSA-N 435.524 4.598 30 10 IJEE N#Cc1cccc(C(=O)OCC2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c1 1860052199 LKFWVYLCAADGBG-FNORWQNLSA-N 443.330 4.974 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(O)cc2)cc1 1862389279 BXCQRRRZPRTYQD-XMMPIXPASA-N 442.515 4.908 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)c(O)c2)cc1 1862391907 LDFSJMOMIYRDQQ-QHCPKHFHSA-N 447.487 4.812 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2c(F)cccc2Cl)cc1 1862395945 BMZGLBSJBWCXKT-OAQYLSRUSA-N 445.918 4.782 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1O 1862448955 YTFIYCWQKQXZLV-HXUWFJFHSA-N 429.900 4.679 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(F)c3)[C@H]2c2ccccc2)cc1 1862636428 HHBJHRBNRHWUFH-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C(=O)O 1862677637 FBCRGLMDYZJZDP-RFVSGWPVSA-N 437.467 4.681 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1 1862905250 DDGLXEJIEAQKJU-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CC(C)CCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Br)cc2)C1=O 1863199202 YJYDVHXKWKXANA-UHFFFAOYSA-N 438.325 4.559 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1cccs1 1864495630 TZSVXIGEVBNNIW-IBGZPJMESA-N 430.618 4.698 30 10 IJEE N#Cc1cc(Br)c(NC(=O)CCC(=O)c2cccs2)c(Br)c1 1865954752 JPLSJFGNTVTVHL-UHFFFAOYSA-N 442.132 4.746 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(-c3cccnc3)n2)c1 1868553720 UDGRKUIFTYTASU-HSZRJFAPSA-N 434.503 4.732 30 10 IJEE COCCn1cc(OCc2ccccc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870270407 LXLYEVVWHMNJLE-UHFFFAOYSA-N 449.576 4.558 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccccc3Cl)c(CN3CCCC3)cc2=O)cc1 1870348599 DRAOBFZAYIQVNI-UHFFFAOYSA-N 433.939 4.596 30 10 IJEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN(CCCC)CCCCCC 1870524770 JPLSZLRQFZUIGZ-OAQYLSRUSA-N 433.637 4.510 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1cc(C)cc(C)c1 1871165957 LAIXTIRRURNYTE-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCCN(C)C)C3)C1=O 1871355233 YSUKOGXVDOFHML-HAHDFKILSA-N 436.552 4.504 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871366867 QOOWCPSVXPSUSP-QRVIBDJDSA-N 434.419 4.825 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 1871427065 LXYOMUROUGMSQO-STZFKDTASA-N 438.476 4.510 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(OC)c4)ccc3C2=O)cc1 1871441658 GWYPNSLYKBEWGF-CFRMEGHHSA-N 429.472 4.891 30 10 IJEE CCCCCCCCN=c1[nH]c(=NCc2ccccc2C)[nH]c(=NCc2ccccc2C)[nH]1 1871462178 MCCKZHANMYBNOH-UHFFFAOYSA-N 446.643 4.751 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 1871780137 KWPDEYIJUPTQFL-LBPRGKRZSA-N 433.382 4.649 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871964204 RVDJXMUCNMGENN-CYBMUJFWSA-N 445.343 4.727 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCCCC)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1872183971 LVCLHJZNTUUYQD-GCJKJVERSA-N 436.618 4.589 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1 1872320742 PRGWUABDARPYDO-QFIPXVFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1cccs1 1872488738 QDVMLDSJJGMZSG-GOSISDBHSA-N 426.991 4.550 30 10 IJEE CCCN(CCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)c(CC)s1 1872799239 FQDNVDXAEQALBH-KRWDZBQOSA-N 429.586 4.688 30 10 IJEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872870618 KKLVTNNXKQIHBJ-UHFFFAOYSA-N 442.559 4.965 30 10 IJEE C=CCSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(CC)cc1 1874210868 FLIOMMKCZLZAEA-XDEFOSFOSA-N 445.592 4.517 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874231829 DCRNCKHKBWVALC-PCLIKHOPSA-N 430.533 4.909 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)c1 1874261379 RAXLCSVWRJBVMX-LGJNPRDNSA-N 437.475 4.705 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874284469 IXSZXYMHURFRHD-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccncc1 1874289624 NQEGREYZHPOAAC-VULFUBBASA-N 449.511 4.574 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2cccnc2)c1 1874295453 CHPMNYFHRHNFPC-MFKUBSTISA-N 444.520 4.655 30 10 IJEE OCCCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874404478 ZHMFXBQRJQUHTP-OEAKJJBVSA-N 435.380 4.727 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(CC)cc1 1874467395 HATFMOKXKMQNPE-LFVJCYFKSA-N 439.585 4.723 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCC(=O)Nc1ccccc1F 1874488915 PSMYELMZLKKFDY-SSDVNMTOSA-N 431.562 4.599 30 10 IJEE CCCc1nnc(SCCc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874508269 ULQDQNXOYWUEIP-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874524206 BWAMSSPSQXIFIX-ZMOGYAJESA-N 428.533 4.950 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1[N+](=O)[O-] 1874629062 KMCPSIBCCARUDM-PKNBQFBNSA-N 438.524 4.972 30 10 IJEE CCN[C@H](C#Cc1cccs1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1900747312 ATZXLFVKILCIQA-NHCUHLMSSA-N 428.598 4.578 30 10 IJEE CN(CCN(Cc1ccccc1)c1cc(Br)cnc1C#N)Cc1ccccc1 1956478773 RSYCZIJONDBSHD-UHFFFAOYSA-N 435.369 4.854 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1(C)C 2068175461 KTFNMRYFASYHSH-ATIYNZHBSA-N 446.632 4.668 30 10 IJEE COc1ccc([C@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1O 2079938596 GBSNYDDSSLISLG-SFHVURJKSA-N 434.334 4.825 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(N)=O)c1Br 2080054626 SPWPPSFVRVMELH-RXMQYKEDSA-N 448.136 4.531 30 10 IJEE N#Cc1[nH]c(=N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)ccc1Br 2087921037 DLMBJTDMPYWPHA-GFCCVEGCSA-N 426.145 4.525 30 10 IJEE CC1(C)OB(c2ccccc2COc2cc(F)c(Br)c(F)c2)OC1(C)C 2148966776 WEBFQARLYZSYJC-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2174628665 BSAOTIBSFRGHCB-KYNGSXCRSA-N 434.378 4.541 30 10 IJEE N#Cc1c(F)cc(Br)cc1N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2193227650 AAWAIYSILHZNSY-MAUKXSAKSA-N 442.254 4.935 30 10 IJEE CN[C@H](C#Cc1cccc(Cl)c1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2216977678 POHVCGQCMDENPF-YSZBQJHXSA-N 442.987 4.778 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@@H](O)C#Cc2ccccc2Br)c1 2235739284 GZXWVISRHKIGPJ-IBGZPJMESA-N 432.314 4.890 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2262206189 NQAOGNVACBIUII-UNMCSNQZSA-N 447.572 4.655 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)C#Cc1cccc(Br)c1 2296224783 NYNHDDKSDHEASI-MOPGFXCFSA-N 434.374 4.899 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@@H](O)C#Cc1ccc(Br)cc1 2296277765 WEZLFLJBINSXSJ-PMACEKPBSA-N 436.390 4.883 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 2296935895 NFNKNBQKPDQISE-NRFANRHFSA-N 442.496 4.931 30 10 IJEE C=CCc1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=O)NC2=O)c(OC)c1 2297335249 GJWSDHANICWNEG-UHFFFAOYSA-N 445.924 4.859 30 10 IJEE C=CCCCC[S@](=N)(=O)c1cc(I)ccc1Br 2300852762 XXDVPXDOYKIVIM-KRWDZBQOSA-N 428.133 4.816 30 10 IJEE CC(C)(C)OC(=O)NCCC1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2317358822 RUQBWCPNWXZANA-UHFFFAOYSA-N 430.354 4.552 30 10 IJEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1cccc(C)c1 2320956027 JNUIMEDUTYTIDU-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)c1 2321937196 VLIYHMNCJNFHCD-UHFFFAOYSA-N 443.499 4.715 30 10 IJEE Fc1ccc(COc2ccc(C=Nn3c(S)nnc3CCOc3ccccc3)cc2)cc1 2322024051 PHXBJYUAMVCREO-UHFFFAOYSA-N 448.523 4.789 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(OC)cc1OC 2323532351 OLZPWMZWXQXHEM-QHCPKHFHSA-N 444.616 4.965 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1Br 2323992533 LMWCYWNIFMSHJC-UHFFFAOYSA-N 447.325 4.994 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc(O)c3CN(CC)CCc3ccncc3)C2=O)cc1 2324088401 LHIIXPIPKAGMKT-UHFFFAOYSA-N 444.531 4.867 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)cc2)c(OCC)c1 2324490688 CYCPITCEDDUSKK-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301748 NXRIBJSTKSTTOK-OAHLLOKOSA-N 428.419 4.720 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2ccc(OC)cc2)nnc1SCCC 2325424720 URTVHYRZVBPJHH-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325549715 OJZPEYIUQARIGC-UHFFFAOYSA-N 435.863 4.988 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccncc1 2326832593 YBKCMUIWDOKNFF-UHFFFAOYSA-N 445.548 4.825 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccccc1F 2330135505 BNKIULXSFDMCJH-QGZVFWFLSA-N 440.544 4.743 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 2330970170 DDCWPFPUMAUGAI-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE O=C(Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br)c1cnccn1 2331092983 MSFMTMGSGLTCQA-UHFFFAOYSA-N 445.219 4.633 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339586342 DIHOKSFYONDYFI-NUPXTWTDSA-N 443.397 4.974 30 10 IJEE CC[C@H]1[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339594748 YXNYEVGGILTJPK-OALUTQOASA-N 444.381 4.893 30 10 IJEE Cc1cc(CN[C@@H](C)c2cscc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681329 ZCICKHYBHJCRFH-AWEZNQCLSA-N 436.224 4.969 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)N 2381199283 YGRHMYPFYKGPKQ-IALDWUNLSA-N 434.378 4.990 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(OC)cc2)Nc2cc(C)cc(C)c2)c(C)n1 32973019 DJRWSFJADJRXEI-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccncc2)cc1 33382751 CINRCESHUVZWGQ-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n(CCc4ccccc4)c3O)oc2c1 38620181 SKLPUAWNKTYAGG-UHFFFAOYSA-N 426.472 4.571 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccc(OC)cc1 59265708 CXSDZXUCUCACQA-UHFFFAOYSA-N 437.569 4.514 30 10 IJEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)sc2c1 59721158 PDCRUMJEQCCRSH-UHFFFAOYSA-N 442.522 4.840 30 10 IJEE Cc1ccc(NC(=O)C[C@@H]2S/C(=N\C34CC5CC(CC(C5)C3)C4)NC2=O)cc1Cl 72434590 SLOBFVNGVGKDGH-CTEACUEPSA-N 431.989 4.533 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCCCCCC1 96951948 LVSPSIYRKIVWBU-UHFFFAOYSA-N 434.993 4.581 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(O)cc1 169959139 KJRLVAGFVYQPIU-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1cccs1 169982632 GKSPODYUCXMGRR-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114858 MZVITRHGFQUXBS-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(N(C)C)cc1 170128436 IRYFIPFYZMDYEK-XMMPIXPASA-N 444.531 4.521 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1 170137397 GRHVQAKANYGMNW-IBGZPJMESA-N 444.325 4.923 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)c1 170166149 TUDBPIUVZVCNFI-HXUWFJFHSA-N 429.538 4.540 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1cccnc1 170195414 FVFQDWLDKVHYAA-IBGZPJMESA-N 440.883 4.868 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 170261531 CDDBIVPOXVPMJY-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccco2)c(OCC)c1 170295722 IAGQWFPPGBUEBV-NRFANRHFSA-N 425.481 4.598 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1CCN(C)C 170318527 VTUJZIIQRGWVCG-GOSISDBHSA-N 444.940 4.596 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1cccc(O)c1)c1cccs1 170384644 CXPGYBMOAGNUKS-QFIPXVFZSA-N 446.528 4.837 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 407157295 LMTLUSQNQLEYJV-CZUORRHYSA-N 433.749 4.809 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2c(cccc2OC)C1 460567967 QTSYVPCLAACITC-UPVQGACJSA-N 430.552 4.671 30 10 IJEE C=CCn1c(SC[C@@H](O)CC(F)(F)F)nc2cc(-c3ccccc3)sc2c1=O 470039140 RASNSUUBZYNUHK-ZDUSSCGKSA-N 426.485 4.716 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)c(Cl)c1O 526817703 WJCXGPIFMHRYBO-UYOCIXKTSA-N 441.315 4.921 30 10 IJEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 549279941 OZGUNKKNPIATQD-IBGZPJMESA-N 439.633 4.680 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC3(CC3)c3ccccc32)c1 562048030 WYCWALGCQPEPFG-UHFFFAOYSA-N 439.540 4.981 30 10 IJEE CSc1nc(O)c(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cc1C#N 610139564 JIZQRYYHGGFTFC-UHFFFAOYSA-N 436.562 4.524 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 742213809 OVCYOKWFZKYPTP-QFIPXVFZSA-N 431.561 4.549 30 10 IJEE COc1ccc(COCc2cccc(NC(=O)NCc3ccc(OC)c(C#N)c3)c2)cc1 747274042 OUKOAVJHURIKCF-UHFFFAOYSA-N 431.492 4.614 30 10 IJEE Cc1ccc(N2C(=O)CC[C@H](C(=O)NCC3CCC(C#N)CC3)[C@H]2c2cccs2)cc1 799385953 LMHNOGZSVBVTEH-WPOXWQNPSA-N 435.593 4.987 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 799602356 OMZXIGXJVDDGSQ-HNNXBMFYSA-N 429.307 4.727 30 10 IJEE Cc1ccccc1Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1ccccc1 802183739 YSWHCBZWHAGEPQ-SANMLTNESA-N 449.558 4.675 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 803519298 CXGCCYXZTMHLMP-UGKGYDQZSA-N 432.593 4.759 30 10 IJEE O=[N+]([O-])c1cc(C=Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1Cl 1084274168 VGHKTLBIWNXCDQ-UHFFFAOYSA-N 433.848 4.939 30 10 IJEE COC(=O)c1cccc(N=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1C 1084589187 XLINWWXNLAOLBJ-UHFFFAOYSA-N 433.460 4.818 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCCC)cc2)SC1=Nc1ccccc1F 1084643291 OZIIZGGJKCBWAY-FQEVSTJZSA-N 441.528 4.761 30 10 IJEE C=CCn1c(SCC(=O)N2CCc3cccnc32)nnc1-c1ccc(Cl)cc1Cl 1127673005 XYVKGBHALOHIHT-UHFFFAOYSA-N 446.363 4.514 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Oc3ccccc3F)nc2)CCCN1C(=O)OC(C)(C)C 1128599441 PPIOBGTUSDLYST-DEOSSOPVSA-N 439.487 4.745 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)CCN3C(=O)CCc4cc(F)ccc43)c(C#N)c2[C@@H]1C 1129473629 BMCXGPCXEDKEPP-ZIAGYGMSSA-N 425.529 4.753 30 10 IJEE C#C[C@@H](NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 1129731666 YBSBMZPEIORRBO-CZUORRHYSA-N 428.355 4.610 30 10 IJEE CC(C)(C)c1ccc(C(=O)NCCC(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc1 1129842663 FEPNXPQDOJPKFR-UHFFFAOYSA-N 440.547 4.604 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(NC(=O)CC)ccc1Cl 1136357525 JSJKPVBBTQMCNW-OAHLLOKOSA-N 430.332 4.663 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)cc1OC 1146682390 YWCWJAUENNNAQX-DHZHZOJOSA-N 429.557 4.634 30 10 IJEE C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1147951797 DUPCRPIQQQSKTJ-ZVBPTUHVSA-N 435.339 4.814 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccccc2Br)nnc1-c1ccccc1 1164453237 BBSASYJAQVXJDX-KRWDZBQOSA-N 444.354 4.900 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](C)C1 1171266020 DASIVVCYELHREU-IKGGRYGDSA-N 445.629 4.515 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CO)c1cccc(Cl)c1Cl 1196284706 DDUHNBBQGQTTSE-DYVFJYSZSA-N 438.380 4.649 30 10 IJEE COC(=O)c1n[nH]c2ccc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc12 1200595234 HJZZOSQEEWBFJK-OAHLLOKOSA-N 439.475 4.771 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc2c1CCN(C)C2)c1ccc(C(F)(F)F)cc1 1211149318 WVPRBKUMCXTGRC-HXUWFJFHSA-N 438.515 4.679 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC(Cc2nc(C(=O)OCC)cs2)CC1 1216891735 RAOCAABQUMUGLB-UHFFFAOYSA-N 427.570 4.925 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@H](C)C2)n1 1221880893 UTIOBWBQTBDLHD-HOKHCIIBSA-N 436.600 4.550 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C 1230656984 LZEDOWAPFVDMSS-QHCPKHFHSA-N 447.579 4.978 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1 1269746305 ZCSIJVGSUHOYNC-UHFFFAOYSA-N 439.508 4.669 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(CCOCC)CCC1 1286291257 UTWPJIRMJMLQLJ-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 1286335766 SRMKVURYPYPSPM-PMACEKPBSA-N 429.609 4.636 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1286338310 BAVNLKKHOLMWJT-OFNKIYASSA-N 431.584 4.749 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC=C(C)C1 1286496964 MEDJOYKYBAUUKW-UHFFFAOYSA-N 435.622 4.900 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCCC 1286499689 UKTSLMSUROPZES-UHFFFAOYSA-N 441.826 4.964 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)OC 1286519156 SAWLHHBSLCZOGY-YZZKKUAISA-N 430.980 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1286527659 GTVQVFIMJYDLJD-IPVFLDMMSA-N 436.600 4.670 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C)s1 1286566624 SBWRNSYJPMTVAT-DYESRHJHSA-N 443.642 4.621 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H](C)C1 1286605600 PKDDVJYMBSJDCT-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@H]2C1 1286667721 NCCFNEABXPNEQC-INIZCTEOSA-N 448.398 4.665 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1286685383 TWEIGKNKQNFBOM-UHFFFAOYSA-N 428.540 4.616 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1286694032 JHHHJMIWCIHZMK-GOSISDBHSA-N 443.592 4.942 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286695477 AYXUEWAABYKSRH-UHFFFAOYSA-N 444.917 4.565 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2ccccc2C)C1 1286772194 SIBSQKGKAHRFCC-INIZCTEOSA-N 445.386 4.841 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CC1CCC1 1300362404 OWPOHRYIZISUIC-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(CC)Cc1c[nH]c2ccccc12 1300368365 VMMHIAINVGFTMF-UHFFFAOYSA-N 432.597 4.945 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1300393751 KJOSUBZRZUGHJL-CVEARBPZSA-N 433.419 4.760 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)C[C@@H]1CCCO1 1300742325 FCXOLQYINIRPQD-NRFANRHFSA-N 426.630 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300876563 UATQWWMYYHLLQO-GAZFWANQSA-N 442.579 4.878 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1300895063 LSDYHCCLTWZTBM-CVEARBPZSA-N 436.482 4.621 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC(C(F)(F)F)CC1 1300999456 CKICTIYDGBWIQK-UHFFFAOYSA-N 438.494 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCN(C)[C@@H](C)CC)CC1 1301109149 GDRBRZCFCSEJEN-FQEVSTJZSA-N 432.616 4.934 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(C)c2)CC1 1301109201 HLJUIFILXJABEF-UHFFFAOYSA-N 440.389 4.805 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1301140920 GSVYIJYWQKXCSQ-QUCCMNQESA-N 442.604 4.958 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCc2nccn2C1 1301379495 MTJUHPNTIMRABJ-INIZCTEOSA-N 443.382 4.889 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC(F)(F)CO1 1301397135 NSISSXGBYKEGIO-HXUWFJFHSA-N 446.542 4.757 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1301410317 BWOTZBDMIXRLMM-CJFMBICVSA-N 436.604 4.612 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2cc(F)cc(C)c2C1 1301473721 JHCQPWAACUEFNM-FQEVSTJZSA-N 441.551 4.546 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(F)c1)N(C)C 1303063377 GBWYVPIINNHSMY-NRFANRHFSA-N 428.600 4.784 30 10 IJEE C#CCN(C(=O)CCc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655481 FKVMDKTYCGODPT-UHFFFAOYSA-N 439.383 4.787 30 10 IJEE CCOC(=O)c1c(NC(=O)N(CCc2ccccc2)Cc2ccccc2)c(C#N)cn1CC 1310891168 DKBSGZFFJPVSQM-UHFFFAOYSA-N 444.535 4.833 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)NCC3(c4ccccc4Br)CC3)CC2)cc1 1312077220 GCCHXEJIJBRRTB-UHFFFAOYSA-N 438.369 4.942 30 10 IJEE CO[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)C1 1321764922 XTTULRIDKMXMPW-PWRODBHTSA-N 437.565 4.523 30 10 IJEE CSc1nc(O)c(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)cc1C#N 1338359893 JZQOMBKUKJSFEN-AOMKIAJQSA-N 429.545 4.600 30 10 IJEE C=CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)CCCCC1 1353007676 KLFMLMJEAAERPW-UHFFFAOYSA-N 434.602 4.725 30 10 IJEE C#CCC1(C(=O)Nc2ccc(C(=O)NCCCN(CC)CC)c(Cl)c2)CCCCC1 1355950047 GNQMJFPCKVEWDX-UHFFFAOYSA-N 432.008 4.714 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1358916765 WFSHVQYIWCIEBV-GOTSBHOMSA-N 449.643 4.765 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1359052488 GWYZWUFWMSKCFT-JOCHJYFZSA-N 428.005 4.687 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1359083781 QVEDKYWUSAPDAN-AWEZNQCLSA-N 443.748 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](COC)C1 1359090535 CMGZARVHGQQCIX-IGABQKFOSA-N 438.616 4.664 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1Nc1cnn(CC2CCC2)c1 1359155870 MRRSHNUANFEARP-UHFFFAOYSA-N 426.952 4.967 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1359192886 QURKOEDIFPGRKK-WOJBJXKFSA-N 430.980 4.963 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1359192905 RJPNSAGDJLZONB-AVRWGWEMSA-N 442.579 4.795 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1359208706 ROUACMUUXQBKOQ-UXHICEINSA-N 427.568 4.588 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H]1C(=C)C 1359263033 NNLTUNCVYWUPNT-DENIHFKCSA-N 435.597 4.884 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1359324444 LHQOMWFFVUBWLO-AZUAARDMSA-N 438.469 4.633 30 10 IJEE C=CCOc1ccc(OC(=O)c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 1360863294 PDSLZIKFWCZFRR-UHFFFAOYSA-N 435.432 4.966 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CCCCC1 1441808721 HBUJTGKVCBJXIT-INIZCTEOSA-N 434.378 4.548 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)C3(Sc4ccccc4)CCCC3)CC2)c(Cl)c1 1459631248 CIJYBWNSQCILAH-UHFFFAOYSA-N 425.985 4.965 30 10 IJEE CCOC(=O)c1c(NC(=O)CN(C[C@@H](C)C#N)C2CC2)sc(Cl)c1-c1ccccc1 1459874979 CQYCJHLZGYCFTO-AWEZNQCLSA-N 445.972 4.808 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 1463913332 UHNWAECPHCHZIL-UHFFFAOYSA-N 425.481 4.947 30 10 IJEE C=CC(C)(C)CNC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1468007484 HGYREZOJCUIGHY-UHFFFAOYSA-N 432.564 4.976 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC=C)C1 1469369222 ZBSARKHZLJBBLC-OAHLLOKOSA-N 449.407 4.792 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 1476223148 JUYNZUKHGRZDON-DEOSSOPVSA-N 434.467 4.766 30 10 IJEE C=CCC[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(C(F)(F)F)cc1 1478271800 FSWYJGJQAMZPGF-ILZDJORESA-N 445.485 4.703 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(N(CC)CC)cc1)c1ccc(Br)cc1 1478896629 PQXYERRBHGUQLU-OAQYLSRUSA-N 428.374 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CCc1nc(C(F)(F)F)cs1 1507813885 CXKIEXPKRSXKGD-UHFFFAOYSA-N 425.480 4.967 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507847046 DUTWHLCQJLASHL-HXUWFJFHSA-N 436.522 4.825 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1507882146 RTYYYUCTHOCALZ-QZTJIDSGSA-N 429.996 4.711 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507900573 QCYSRPURPJBAGB-HXUWFJFHSA-N 443.039 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1507914548 KIYWTOFCEXQILD-UHFFFAOYSA-N 427.568 4.622 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1507927327 PZHZHLGLHHXXDP-UHFFFAOYSA-N 445.615 4.597 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1507931697 DHFYRPBHVCOGQM-UHFFFAOYSA-N 446.599 4.730 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1507932463 UFDVRDGTVUGACL-UHFFFAOYSA-N 431.588 4.541 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1507935792 USASQUYQQVGLPY-UHFFFAOYSA-N 433.000 4.714 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1507958607 GLMZWKWCHDZDIC-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@@H]1C 1507973493 GHKWAUREKISZPB-KRWDZBQOSA-N 425.577 4.919 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1508008100 KNJOARCFCFLPAX-GOSISDBHSA-N 445.633 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(C)(C)C 1508017736 HHFVSMDBNBZANU-UHFFFAOYSA-N 434.588 4.680 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4cc(C)c(C)cc4C)cs3)cc2C1=O 1521209711 QFYSGZSPOLKBEG-UHFFFAOYSA-N 431.517 4.770 30 10 IJEE C=CCN(C(=O)c1cc(Cl)nc(C(C)(C)C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1522167329 RLWYKXHSNWGMKW-LJQANCHMSA-N 428.960 4.835 30 10 IJEE C#CC[C@@]1(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)CCCN1C(=O)OC(C)(C)C 1524910678 LUSVCPZXOMUZOA-DEOSSOPVSA-N 428.960 4.749 30 10 IJEE Cc1ccc(C(=O)Nc2cccc(C#N)n2)cc1NC(=O)c1ccc(Br)cc1 1526552463 GWTZBEBUTKYQCT-UHFFFAOYSA-N 435.281 4.529 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4ccc(Cl)cc4)CC3)CC2=O)cc1Cl 1529839434 BRBWWRGMCWADCS-SFHVURJKSA-N 442.346 4.624 30 10 IJEE C=CCCSCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1531366201 WDJKOLFEPPMYRB-HNAYVOBHSA-N 426.985 4.593 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1539116400 ICXGVLCJAPKRQJ-GOSISDBHSA-N 427.618 4.681 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC(F)(F)C1 1539296095 KZWXBTYFLCKVAG-RTWAWAEBSA-N 440.538 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1cccnc1 1539538125 CXEVGIXJKQVNFQ-QFQXNSOFSA-N 429.568 4.665 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)CCc1cccs1 1539586007 FJKUVQHQAZCSFX-UHFFFAOYSA-N 433.375 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCC(=O)Nc1cccc(Cl)c1C 1539668356 XOULARKGTVTXSJ-SFHVURJKSA-N 445.995 4.565 30 10 IJEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 1539779044 LUVNTOQKFKIRAY-KRWDZBQOSA-N 443.979 4.620 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCC[C@H]2C)CC1 1539856348 YYVWLDQSRZSKEN-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1cccs1 1539918195 KLESQXFZPFZNSO-UHFFFAOYSA-N 427.574 4.696 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC1 1539944394 CPLDTYPQEBPGON-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCOC2(CCCCC2)C1 1540020519 KKYRZKGFRBQZOZ-UHFFFAOYSA-N 430.980 4.731 30 10 IJEE C=CCN(C)c1nnc(CCc2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 1540084020 KVVHXKPEKIWDTE-UHFFFAOYSA-N 431.584 4.840 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)CCCCCO[C@@H]3CCC[C@@H](C)C3)c2C#N)C1 1540918653 RZBFJWNHOZEMMM-SJLPKXTDSA-N 431.602 4.619 30 10 IJEE COc1ccc(C)cc1N1C[C@H](C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)CC1=O 1544382796 COPJERIZINOUTK-BZUAXINKSA-N 437.565 4.614 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)cc1OC 1545441484 PGCSNNSLHNJIIE-FKVRIVCVSA-N 426.601 4.776 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)c1ccc(F)c(F)c1 1556261522 MFRBHFQQZYYLTP-OAQYLSRUSA-N 427.300 4.620 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 1557349152 YSQBDZRDKMFXFI-ACJLOTCBSA-N 427.372 4.864 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc2n1 1558513771 KFZDWTVXPYSESZ-UHFFFAOYSA-N 432.524 4.768 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C 1559885568 RZELVLHJZILXFG-IRXDYDNUSA-N 435.996 4.654 30 10 IJEE C=CCC1(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)CCCCC1 1563429360 MNUHKCKSGZDFSS-PXNSSMCTSA-N 437.987 4.819 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1COc2ccc(O)cc2O1)c1ccc(C)c(C)c1 1565656939 XBFKKKGTIIYLTO-AREMUKBSSA-N 445.515 4.947 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1565803571 LQDKBDBKILRXGA-PMVMPFDFSA-N 443.632 4.748 30 10 IJEE Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Br)c(C#N)c1 1584021750 HNQYWLYOHVDPDH-UHFFFAOYSA-N 430.283 4.788 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2SCC(F)F)c1 1586017790 IDJRBXYBSGLBIY-UHFFFAOYSA-N 443.924 4.747 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](OC)c1ccc(Br)s1 1587182302 LGUJOWSJNCAOPW-KRWDZBQOSA-N 426.380 4.580 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl 1587242368 QBOSLVXFSPYHPD-STQMWFEESA-N 435.735 4.579 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1(COC)CCCC1 1587562668 RUFPGTFICRNYSF-RTBURBONSA-N 428.552 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCC1CCOCC1 1587592379 BFSLNXZCALDAHD-FQEVSTJZSA-N 448.567 4.782 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC2(CCC2)C[C@@H]1CC 1587813635 SBWMBAOCZFGRQY-KRWDZBQOSA-N 430.394 4.619 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(OC)C1CC1 1588198479 VGXCMLPTWXZXGM-JOCHJYFZSA-N 431.367 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCC1CC1 1589505645 NIHPUZRHRBTEFU-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1589570416 VAFRLKRVFWEKBN-IIOACPQZSA-N 438.616 4.937 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1593695806 ICHZBRKSIDSDIT-GLDPYIMESA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1594438625 WLQHJDXPUPPGIB-YADARESESA-N 426.630 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CC 1594491980 PZGSXKQXUWRDIJ-GOSISDBHSA-N 434.588 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(O)c2)CC1 1594511829 WANNIYCSEJWQHX-UHFFFAOYSA-N 437.613 4.565 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1594559632 OKXJXUYTFYWSBD-OKZBNKHCSA-N 441.542 4.781 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1594644529 CJHZTABWMCZOQW-VWNXMTODSA-N 436.648 4.711 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1594651090 GISXNKBWSONAES-HXUWFJFHSA-N 428.552 4.605 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC)c(OC)c1Cl)C1CC1 1595054127 BDNAJYBUUJPVBN-LJQANCHMSA-N 446.979 4.588 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO1 1595141402 HOFAAFJOKLUFJN-TUNNFDKTSA-N 442.579 4.707 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCSC1 1595190815 IBGKAWUGOZXWAM-CQSZACIVSA-N 437.382 4.778 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(C2CC2)CC1 1595275838 QGQDADOWHYUKJG-UHFFFAOYSA-N 449.368 4.676 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)cc21 1598316442 QWOHZOUMNPWGKD-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1611764965 BTJZINAJHCCZMN-DHIUTWEWSA-N 427.980 4.670 30 10 IJEE Cc1cccc2nc(CCNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cn12 1622896343 CFKOYZYIDCBFLZ-UHFFFAOYSA-N 439.519 4.652 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl 1623169152 LYQIFUKOFBSKGB-UHFFFAOYSA-N 426.275 4.519 30 10 IJEE CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)N(C)C)cc1 1623680021 ARHOMWFHOPYDRU-HSZRJFAPSA-N 448.546 4.506 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)n1 1623683665 ATVZALVTRKQHFC-GOSISDBHSA-N 441.413 4.684 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1scc(C2CC2)c1C(=O)OCC 1627826340 LUFQQPPNEGOCHC-AWEZNQCLSA-N 442.965 4.777 30 10 IJEE C#C[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1629619875 NXLOIFLNCKRNJO-OAQYLSRUSA-N 434.342 4.771 30 10 IJEE C=CCc1cc(C(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)cc(OC)c1OC 1633702009 CXWQXHPQJQMFFO-UHFFFAOYSA-N 444.503 4.848 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3Br)CC2)c1 1642239382 FBCRPGSMESYVEB-UHFFFAOYSA-N 432.749 4.825 30 10 IJEE COc1ncc(NC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1C#N 1644426546 HKQIZHWPWPHLLO-XMMPIXPASA-N 428.517 4.711 30 10 IJEE C#CC1(F)CN(C(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1 1644619239 UXQVMPILTNTMOR-WSTZPKSXSA-N 431.573 4.580 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 1646393987 ZZEYKWQFABZKGH-QGZVFWFLSA-N 443.469 4.632 30 10 IJEE C=C[C@@H](Sc1nc2sc(CC)c(C)c2c(=O)n1Cc1ccc(C)cc1)C(=O)OC 1652496088 PNXHIPZFEWGPEU-QGZVFWFLSA-N 428.579 4.505 30 10 IJEE Cc1cccc(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)c1C#N 1653407945 GYBIAYWIGPDUKL-UHFFFAOYSA-N 448.573 4.602 30 10 IJEE C=CCn1c(SCC(=O)NCCCC2CCCCC2)nc2sc(C)c(C)c2c1=O 1656058008 IBOAUXBISQLADI-UHFFFAOYSA-N 433.643 4.830 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCC[C@@H](c2ccccc2)O1 1656154234 CFUCBQGNIXKABS-YADHBBJMSA-N 426.630 4.895 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(C)ccc1Cl 1661876022 RLSIQMWMUOCLBE-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE C=CCCOCCNCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1662138267 VRDPXOOBMBDMPK-UHFFFAOYSA-N 426.358 4.984 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)ccc1OC 1662499102 PCFKFLMKILMELC-IBGZPJMESA-N 439.506 4.896 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2Br)cc1 1669464672 RYVDXSMROYSIFK-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCC(Cc3cccnc3)CC2)n(-c2ccc(C#N)cc2)n1 1669880754 FJSUFJHGAUMJER-UHFFFAOYSA-N 442.567 4.923 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(Cc2ccccc2Br)cs1)c1ccccc1 1670162728 GHXULAKCNULDTO-SFHVURJKSA-N 426.339 4.992 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 1674364694 WEAIBYCTCBNZKP-HLAWJBBLSA-N 435.572 4.686 30 10 IJEE C=CCCCCCCCNC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 1676902731 PBWXGRBEJXTCOZ-UHFFFAOYSA-N 427.593 4.515 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 1679334446 LKAUAXSJGVATJQ-FGZHOGPDSA-N 442.604 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1CCC 1680699216 BLRLDHNQJYTUME-YYWHXJBOSA-N 439.522 4.687 30 10 IJEE O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 1681948291 HCMAEPZCKPACCP-HNNXBMFYSA-N 449.370 4.941 30 10 IJEE C#CCN(C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682329221 WCKQNVZTJRUUQW-VXKWHMMOSA-N 439.600 4.757 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1F 1683516752 IFSVPCNEECHTFX-QHCPKHFHSA-N 439.962 4.851 30 10 IJEE C#C[C@H](NC(=O)N1CC(OCc2cccc3ccccc23)C1)c1ccc(Br)cc1 1683680952 JEJLXDPHCJKWNZ-QHCPKHFHSA-N 449.348 4.887 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCc2cc(Cl)cc(Br)c2C1 1684552672 MVQVATGAAZTBRN-UHFFFAOYSA-N 435.749 4.935 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(Oc2ccc(F)cc2)n1)c1ccc(Cl)cc1F 1686923093 XFCUHQGRFOFXIN-HXUWFJFHSA-N 427.838 4.979 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@]1(C)COc2ccccc2O1 1687165758 IWJPKMCOPSTBRZ-NRFANRHFSA-N 449.320 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H](F)c1ccc(Br)cc1 1689856471 QYIQULLUXJAXGE-KSSFIOAISA-N 447.377 4.862 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H](C)N1CCC(C)CC1 1690089635 IQRPLZYVJSAOQH-NRFANRHFSA-N 437.607 4.835 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)CC1 1690157383 FJGKAGCGYRAJFP-GOSISDBHSA-N 434.556 4.637 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[S@@](=O)CC 1690259481 LBEXWMSJWIUURA-PMERELPUSA-N 446.617 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)c1cccs1 1690261716 XHOKGHDBISLHTB-DEOSSOPVSA-N 435.597 4.808 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1nc2ccccc2s1 1690349099 LZILDRWNCZAGHR-UHFFFAOYSA-N 430.990 4.632 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1690364167 LAUBXKMKCMOJII-NZQKXSOJSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCSC2)CC1 1690399103 NSGVZGQYJWFMLM-INIZCTEOSA-N 433.419 4.863 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2c(c1)OCO2 1690455233 FZHKMZXAZOEWNR-UHFFFAOYSA-N 425.920 4.715 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCOC1 1690456064 UOUUQMIIASYVSR-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@H](CC)C1 1690500103 LFUGYZXKMSGQEK-CMKODMSKSA-N 444.645 4.728 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCSC1(C)C 1690525822 QRXPEKDMZBRQLM-GOSISDBHSA-N 449.665 4.547 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCCc1nccs1 1690559600 HZMQSTDPLBQHTM-NRFANRHFSA-N 448.596 4.673 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690565406 IYORYXYNZYUWCO-ZRBLBEILSA-N 438.616 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1Cc1cc(C)nn1C 1690579204 IKJGUJDSLHFREG-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCC(F)(F)C1 1692193347 GZZBGYKHKWGPED-LJQANCHMSA-N 442.558 4.500 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(F)c1F 1705545080 OKWXSUQELMMJSD-HNNXBMFYSA-N 426.536 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@H](c1cccnc1)C(C)C 1705670109 ITDZAJYYLRJMFU-JYFHCDHNSA-N 429.568 4.781 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCCC1 1705675413 NXHLGFKVUAZNKU-NBGIEHNGSA-N 440.035 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1cccc(C)n1 1705712258 NOJYCRMFQQQWKI-UHFFFAOYSA-N 425.964 4.956 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(Cc1c(F)cccc1F)C1CC1 1705735931 YOFXJKLSTKGJNK-NRFANRHFSA-N 432.515 4.560 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)C(C)(C)C1 1705740022 ZBRRMQHFPSGIKR-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCCCO1)c1ccccc1 1705798219 NAIYXDKCSJHLQB-DNQXCXABSA-N 431.584 4.629 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)CNC(=O)OC(C)(C)C 1705838564 UAMLPRNMKCSCMD-CQSZACIVSA-N 437.947 4.521 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](F)C1)C1CC1 1705854485 KWTPZTWVNAQVNC-QRVBRYPASA-N 447.599 4.686 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCC1(C)C 1705859352 PODMYAMYPZJXJD-ATIYNZHBSA-N 438.616 4.949 30 10 IJEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)CCO1 1709551132 AMFXAUITFSVAGL-DNQXCXABSA-N 444.583 4.657 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC1CCN(CC)CC1 1722281922 ZUEKYJUUNUCGJW-RBBKRZOGSA-N 437.632 4.615 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1722311555 HIQLEUHLCGRSTE-HXUWFJFHSA-N 439.947 4.576 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1722313541 AFOHZDKOFNOXHA-QHCPKHFHSA-N 438.616 4.676 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1nc(C)cs1 1722355630 LOBKOVQODAUDEB-QGZVFWFLSA-N 437.613 4.793 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H]2CCCCCC[C@H]21 1722465642 QNHNQYCHZFTFHX-FGZHOGPDSA-N 438.641 4.945 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Cl)s1 1722510339 QXHMTYBOEURJBA-UTKZUKDTSA-N 444.004 4.596 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(C(=O)C(C)C)CC1 1722520770 KCVYVHNJPDMFPE-UHFFFAOYSA-N 441.645 4.546 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC(C)(C)[C@H]1C 1722607086 MDLVATTWZLSNKQ-OAHLLOKOSA-N 449.393 4.686 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCOC1CCCC1 1722634415 PAKWJOSEBCYMGY-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1Cc1cc(C(C)(C)C)no1 1722652636 JUKRGCILSIHHTQ-UHFFFAOYSA-N 446.555 4.808 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCO[C@@H](C)C1 1722655740 JSYFQCJYMOWMHR-RDPSFJRHSA-N 433.600 4.890 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCOC1CCCCCC1 1722663729 GNRKNXAXEOXJAX-LJQANCHMSA-N 430.618 4.776 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCCCC1 1722863132 HUBMVYRYCKHAEZ-MRXNPFEDSA-N 443.020 4.895 30 10 IJEE CC[C@H](C)N(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1727083717 BPHYYFWHJHTMSG-KRWDZBQOSA-N 447.052 4.694 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740541576 CCSHREZYMCRNRX-FVJLSDCUSA-N 445.007 4.906 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740582953 SSWCIDMZYDFUDB-PMACEKPBSA-N 443.389 4.577 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740588145 JWWHJEIJBBGDHH-FQEVSTJZSA-N 430.581 4.633 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740648241 HRPIGOOJRNBQMH-CJFMBICVSA-N 438.019 4.572 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1scnc1C 1740650350 XSULUXPGTQLUKQ-QGZVFWFLSA-N 449.649 4.602 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)c1nc(C)cs1 1740654412 NCWIQKSXMLMEKN-QGZVFWFLSA-N 438.000 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCC1(F)F 1740734064 PXFAXADSPYETSR-AUSIDOKSSA-N 428.527 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1ccccc1 1740769053 RHRDLKPEDSZXFK-UHFFFAOYSA-N 430.350 4.517 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 1740908603 DUHZALGKIPLPGE-FDDCHVKYSA-N 440.588 4.568 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCN(C)C1CCCCC1 1740928827 WRJLZUQAMNINKS-UHFFFAOYSA-N 430.600 4.936 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCC1 1740936158 JMJMUKRBNHFYJU-UHFFFAOYSA-N 433.581 4.931 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740997470 UDTHKOUJUVXTMG-IBGZPJMESA-N 446.064 4.830 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1741005430 XMQUNXCKRRZGNW-HOTGVXAUSA-N 439.050 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1748655104 QVSCDRVBXICVNV-OFNKIYASSA-N 431.584 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)CC)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1749144153 SMQHXMTUQULVRZ-FYYLOGMGSA-N 425.621 4.576 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 1749407013 SIDMOIQZRVPVQQ-UHFFFAOYSA-N 442.361 4.574 30 10 IJEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCCC1 1749430529 PZNZNQCXQMHXLO-HXUWFJFHSA-N 447.624 4.712 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCC([C@H]3CCCO3)CC2)nnc1C(C)(C)C)C(C)C 1749556736 ADCPFHSOWBIDRS-DHIUTWEWSA-N 443.680 4.670 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](c1ccco1)N1CCCCC1 1751659491 AZDHVGMXFCWIOS-RBBKRZOGSA-N 432.572 4.812 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(CCC(C)C)CC1 1760166578 JMTHHYONFRDZST-UHFFFAOYSA-N 431.987 4.565 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1760277396 JEJKGOURIWBRER-PMACEKPBSA-N 426.630 4.829 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1760298059 UJBQVRVUZFTMEZ-LLJLJFOGSA-N 442.991 4.706 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760310857 FQWOIITUJFDBAG-LJQANCHMSA-N 447.421 4.756 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C2CCCC2)CC1 1760378183 BGNRGTZYEXYIHK-UHFFFAOYSA-N 444.023 4.681 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)CN2CCCCC2)CC1 1760405746 FEFMDMNEJFEKAF-MDNUFGMLSA-N 443.680 4.721 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1760437000 NXYFXRZWMFTHJA-HOTGVXAUSA-N 431.378 4.917 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC1(OC)CCCCC1 1760479642 VWKXKGDBVZUWEJ-UHFFFAOYSA-N 442.567 4.754 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCO1 1760484451 ZSLGXNRXFQEPMI-PXNSSMCTSA-N 442.560 4.990 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccc(Cl)s1 1760490941 OATBODOPAMHIPK-UHFFFAOYSA-N 429.933 4.989 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccc(Br)cc1 1760514116 RUTVRHNLZQLYAR-RTBURBONSA-N 447.421 4.824 30 10 IJEE COc1ccccc1[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1)OC(C)C 1770383688 HBKFPAZXYCGMGA-HSZRJFAPSA-N 448.571 4.578 30 10 IJEE CC(C)Oc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)cc2/C=N\NC(N)=S)cc1 1857806586 ANRLZEMCZBYZLE-VROXFSQNSA-N 448.379 4.800 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(Cl)ccc1Cl 1862258767 LHIPHBUJLSDDAC-HXUWFJFHSA-N 435.326 4.674 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862412140 XQJQDXBXVGKEAA-NRFANRHFSA-N 439.389 4.588 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862437422 QMZMAQHNGMTSBD-FQEVSTJZSA-N 441.911 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446307 PCFRHHNOFRXTIM-WIYYLYMNSA-N 436.895 4.579 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862534750 XQLUKERYDUDNBQ-DEOSSOPVSA-N 427.500 4.776 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862547475 WDLAGECAWAMZGI-QFIPXVFZSA-N 434.492 4.708 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(F)c2)cc1F 1862637228 DPRUFGXQXOYTOU-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccccc1F)c1cccc2ccccc12 1862650488 XEIOEZZGOYYIMG-HSZRJFAPSA-N 433.479 4.720 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2C)cc1 1862686684 BSCZGMNBTKIWOL-DEOSSOPVSA-N 427.500 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862688326 UVVSRVSRERQSHM-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2F)c1 1862700074 AIMRKLALOFAUHI-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(c3ccc(Cl)cc3)C2=O)cc1 1862798068 ZSDOUZCAEREYAE-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862798188 ARLWKICWEXOJPK-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870159509 OKEUZXVEORZRGT-GJZGRUSLSA-N 431.805 4.553 30 10 IJEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870836700 QWCZSQKGNWTHII-QGZVFWFLSA-N 436.980 4.852 30 10 IJEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(OC)c(OC)c2)cc1=O 1871007052 JJYXHVVCPFBVIX-UHFFFAOYSA-N 426.557 4.850 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(C[C@@H]2COc4ccccc4O2)CO3)C1=O 1871353511 SSEYDLCNAYFVMH-QEPAMEFZSA-N 447.512 4.665 30 10 IJEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871371227 LACCZKZWWXFJHD-HAHDFKILSA-N 445.427 4.976 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC(C)=O)cc3)cc(C)c2C1=O 1871381871 GTBNQCUBWOQDQY-QRVIBDJDSA-N 444.439 4.764 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871396288 ZDXGVYIXTOYAML-OFNOZLENSA-N 445.918 4.846 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1cccs1 1872178939 REKISQBCGKFONS-LJQANCHMSA-N 436.599 4.521 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872248637 LZONNOZRNRLYTM-QFIPXVFZSA-N 446.638 4.549 30 10 IJEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)cc1C 1872787747 QOTNZVJYHAYSOQ-HXUWFJFHSA-N 433.533 4.813 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NC[C@H]3CCCO3)ncnc21 1873612064 FFTDDWJOGHEUBT-CQSZACIVSA-N 446.338 4.767 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873664993 BOPKZQBOQDNTTD-IAGOWNOFSA-N 433.556 4.669 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc[nH]1 1874288862 RXOMDMBFFOPNOD-DHRITJCHSA-N 437.500 4.507 30 10 IJEE CCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCC)cc1OCC 1874370831 TUVHRUWLESRXTK-PXLXIMEGSA-N 430.599 4.916 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2)c(C)c1 1874469077 MQSLIKHXMYIFDT-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1OC(C)C 1874485984 WCXVWSSKGLCLOH-FSJBWODESA-N 432.590 4.536 30 10 IJEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)c1OC 1874489706 GLTFQULNHBXNRJ-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(Br)ccc1O 1874535491 JUZHUDMVBIDMLN-AWQFTUOYSA-N 437.750 4.883 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCCCO)c(Br)c2)c1 1874630781 UKBPZWNEQHVDGG-RMKNXTFCSA-N 449.341 4.904 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COCCOC)c2)cc1 1874695611 KIZIEHQJOBJTDU-UKTHLTGXSA-N 426.509 4.502 30 10 IJEE O=C(NCC1CCN(CC(F)(F)F)CC1)c1cccc(C(F)(F)F)c1C(F)(F)F 1889190796 CCBYSZFKHRKQIT-UHFFFAOYSA-N 436.318 4.728 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)ccc21 1890936199 ARSDRRVMBPMJFY-UHFFFAOYSA-N 444.535 4.883 30 10 IJEE CN(CC#CCNC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)Cc1ccccc1 1890975327 SORVNCOJGNWJMZ-UHFFFAOYSA-N 428.376 4.589 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cccnc2Oc2ccccc2)c1 1891551896 QRLRYVRCQDQTQC-UHFFFAOYSA-N 429.520 4.532 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1962794400 UXLATDYHGSJDME-UHFFFAOYSA-N 441.391 4.578 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(Cl)c(Br)c1F 2047969840 FENFTAWXOZXQPW-KBPBESRZSA-N 435.765 4.971 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2cc(Cl)ccc2Br)C1 2063046853 YBQSOTOLYGWSIK-INIZCTEOSA-N 430.770 4.867 30 10 IJEE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C#N)c1I 2080025929 TYFLWELXUUEMCY-OAHLLOKOSA-N 437.325 4.979 30 10 IJEE C=CCC1([C@@H](N)Cc2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2110509373 JIJPQUSKUPKHFP-AWEZNQCLSA-N 447.776 4.925 30 10 IJEE CC(C)(C)OC(=O)NCc1csc(C(=O)Nc2ccc(Br)c(C#N)c2)c1 2124497756 NBEGGTCNRICMSF-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(c3cc(Br)c(C#N)cc3F)CC[C@H]2C1 2174810858 RAQMSMAIUGIJHC-KBPBESRZSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CN(c2ccc(Br)cc2C#N)C2CC2)C1 2174811983 FODFYOFVRGGHCN-OAHLLOKOSA-N 434.378 4.937 30 10 IJEE CCC1(C#N)CCN(C(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)CC1 2182942460 JTSQJRZXVRHDGC-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C)NCC 2213057561 ZMRDWIYDAPXEIE-YADHBBJMSA-N 432.605 4.542 30 10 IJEE Cc1sc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1Br 2234513284 MFLASRHLGFLCPH-UHFFFAOYSA-N 440.143 4.510 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CCC[C@@H]1NC(=O)OC(C)(C)C 2235730417 OQRLPDVMZPPQML-XQBPLPMBSA-N 435.406 4.862 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](O)c1cc(C(F)(F)F)ccc1Br 2236335368 VIQSICCYJLMSNB-OALUTQOASA-N 444.291 4.862 30 10 IJEE C#CC[C@H]1CCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2244547887 HDNBPFAUTWCZBU-DYLHXGEVSA-N 444.575 4.954 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCC(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2261832495 PDVOBYXOKFEZGR-DNRQZRRGSA-N 447.572 4.703 30 10 IJEE C=CCCC1([C@@H](N)Cc2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 2266313118 PMGAXQJMVUXEEW-KRWDZBQOSA-N 427.358 4.661 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)cc21 2267458081 RQVHSTXGCBUHTR-UHFFFAOYSA-N 442.365 4.939 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(Cc1ccccc1)CC1CCCC1 2269709829 SLGBTNKHKZJUIR-UHFFFAOYSA-N 434.389 4.522 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2289529472 WWAQVRJDGFJGFK-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](O)C#Cc3ccc(Br)cc3)CCCC[C@@H]12 2296276202 FPRQOBVFGIURBE-XQBPLPMBSA-N 434.374 4.731 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296299259 SSIUGKAKUPOHLL-QUCCMNQESA-N 435.406 4.816 30 10 IJEE Cc1ccc(C=Cc2nc(C#N)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 2296746769 XRXQKKRTFULMGF-UHFFFAOYSA-N 432.911 4.641 30 10 IJEE O=C1C(=Cc2ccccc2)SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 2314840957 LAHXNHHRCRQPCP-UHFFFAOYSA-N 432.461 4.694 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NC[C@@]2(C)CCCN2Cc2ccccc2)OC1(C)C 2317223501 CGPAYTOUYHAZMS-XMMPIXPASA-N 441.812 4.501 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2322748992 QGRUUNCTBSSPPH-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3C)c2)c(OC)c1 2323283482 WGLJMDHMQGCMNA-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)CCOc3ccccc3)c2C)C1=O 2323683600 NBKLLPUPQHCVHP-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 2324630933 VOCZWYSTRKHANG-QGZVFWFLSA-N 436.464 4.634 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325566634 CGCSYTAUHYFXLG-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326589429 OVCCEILKXWWFIK-UHFFFAOYSA-N 447.520 4.825 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc(OC)c1O 2327386067 FECPGUIYWXQODR-UHFFFAOYSA-N 440.569 4.908 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccccc1OC(C)C 2328263713 BYJKYDLXZSLSGW-UHFFFAOYSA-N 426.542 4.647 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C)cc1 2330684775 BPYCZVVWCFWRCN-UHFFFAOYSA-N 435.597 4.876 30 10 IJEE CC#CCN(C[C@H](NCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 2337921105 IRNGVRRXEARTJG-HNNXBMFYSA-N 431.321 4.638 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2360194778 ROKZOMOXGVJSHE-POAQFYNOSA-N 435.406 4.814 30 10 IJEE C=C(C)CN1C(=O)COc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081252 WSJZKZOSQIQUSV-ZDUSSCGKSA-N 435.307 4.701 30 10 IJEE Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccccc3Cl)CC1=O)N2 17095137 SQXAPVUMSBRBFR-GTJPDFRWSA-N 426.854 4.934 30 10 IJEE Cc1cc(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 22692214 ZNVLSQURWIGNHJ-SFHVURJKSA-O 431.647 4.657 30 10 IJEE COc1ccc(-c2csc(/N=C(\O)CN(C)CCOc3cccc(C)c3)n2)c(OC)c1 24954776 BRJNSRVXWJRSHL-UHFFFAOYSA-N 441.553 4.735 30 10 IJEE CCc1ccc(C(=O)On2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)cc1 27528474 YXBVDTMFDHXHRE-UHFFFAOYSA-N 449.304 4.657 30 10 IJEE COc1cc(/C=C2\S/C(=N/c3cccnc3)N(C3CCCCC3)C2=O)cc(OC)c1O 39863160 XQANGVKIKNWMDB-DMDNQVQLSA-N 439.537 4.741 30 10 IJEE CCN/C(=N\c1ccc(F)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 59446644 ZDXGUJAGAZMGBX-INIZCTEOSA-N 440.327 4.795 30 10 IJEE O=C1C[C@H](S/C(=N/c2ccccc2)NCCc2ccccc2)C(=O)N1c1ccccc1 59516359 CPPQETSJWPBJKL-QFIPXVFZSA-N 429.545 4.572 30 10 IJEE C=CCOc1cccc(NCC(=O)Nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)c1 66064684 YUDPFJUPKYDZJB-LJQANCHMSA-N 429.520 4.793 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3ccccc3n2Cc2ccccc2C#N)C1 95084816 PIOKXRBARASJLE-FQEVSTJZSA-N 432.524 4.735 30 10 IJEE O=C1Nc2ccccc2/C1=C1/S/C(=N/c2ccncc2Cl)N(c2ccccc2)C1=O 101127696 RDHGZFROUWCBTH-SMHMRBDASA-N 432.892 4.866 30 10 IJEE CCOC(=O)c1sc(N/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)c(C#N)c1C 108637019 PVNQQAVSYHZVOK-CPNJWEJPSA-N 444.516 4.977 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 109931491 YXRHLMWAYRYAJY-UHFFFAOYSA-N 432.442 4.655 30 10 IJEE COc1cc(/C=N/NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1 169904339 DNOBIXJYEDPMGJ-MFKUBSTISA-N 438.549 4.512 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccncc2)cc1 170020206 NAIIIFLSGROLDS-DEOSSOPVSA-N 428.488 4.582 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(F)cc2)cc1 170064394 JHQKVQGVPXRLNK-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2C)c1 170086247 JFEXVBYLNUEFQG-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170114366 RTAFZWXIJAUQMY-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1 170117163 LXHBECBVGWSWMO-JOCHJYFZSA-N 447.487 4.971 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)cc1 170117165 LXHBECBVGWSWMO-QFIPXVFZSA-N 447.487 4.971 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170118213 HDIYNGOZPNESCA-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccccn3)oc12 170179439 SJCLBYCTSADMNA-OAQYLSRUSA-N 432.476 4.747 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170224712 BGLCDKSOAWWSRL-HSZRJFAPSA-N 427.456 4.500 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)c(C)c1 170248726 OFTGORYUYZJTQT-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)cc1C 170259359 YZVWGRVGIOEKOI-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1ccccc1C 170273016 QCLAPGWAQKQJST-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1C(C)C 170292625 NHPKDUBHBJSXJC-JOCHJYFZSA-N 432.476 4.585 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1sccc1C 170317145 KFDZKZTYABDMRC-HXUWFJFHSA-N 448.544 4.855 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@H]1c1ccncc1 170483069 YVXZFJYGTYVPKI-INIZCTEOSA-N 445.903 4.999 30 10 IJEE CC(=O)c1c(C)oc(NC(=O)CCCOc2ccc(Br)cc2Cl)c1C#N 170528328 PPKDAIIGXNRQPW-UHFFFAOYSA-N 439.693 4.876 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)cc1)N2 250591462 YVVXDWCTFHCCED-SLSDLSHTSA-N 436.577 4.884 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2nc(-c3ccccc3)oc2O)cc1 254573107 ZSFWTOKBONBBEI-UHFFFAOYSA-N 433.489 4.907 30 10 IJEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1cccn1Cc1ccccc1 405018888 ZIOWECNREHUSOG-UHFFFAOYSA-N 430.357 4.650 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCCCC[C@@H]2C(=O)O)cc1OCC 426741891 NGFRBZXYAQVVJS-WMZOPIPTSA-N 440.378 4.926 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 441536932 YTCYNMGUUWMQDC-FQEVSTJZSA-N 443.473 4.511 30 10 IJEE COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)NCC1CCC(C#N)CC1)CC2 442715903 BZNGNNWLKFIJQK-OCJFHSIUSA-N 439.581 4.752 30 10 IJEE C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(-c2cccnc2)cc1 476636506 WFWXKQYWJWZLEF-QGZVFWFLSA-N 430.533 4.570 30 10 IJEE CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)o1 480998693 NERXBFNQYFSNGT-GUXCAODWSA-N 429.542 4.533 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2CN2CCCCC2)cc1 510540473 VUMYYNZSJZZHOW-UHFFFAOYSA-N 446.595 4.808 30 10 IJEE C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)N(C)Cc1c(F)cccc1Cl 517063109 BZEPBKAKAPRZRS-HNNXBMFYSA-N 438.890 4.997 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1OCC 526490751 PCIDMNBRCLYLNG-XMMPIXPASA-N 441.487 4.808 30 10 IJEE COc1ccccc1[C@@H]1C(c2cccc(OC)c2OC)=C(O)C(=O)N1c1cccc(C#N)c1 526520804 KLOWLSXAZHSUIZ-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(OC)c1 526829721 XGUZXWXWPUZYLW-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE C=C(C)Cn1c(N2CCO[C@@H](c3ccccc3)C2)nnc1C(F)(F)Oc1ccccc1 549247921 FIBBKZXYLSEOQQ-HXUWFJFHSA-N 426.467 4.560 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2nccs2)CC1 559030088 YAJPEEOSBDJJPO-MRXNPFEDSA-N 427.549 4.974 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698369817 ALNOCJGRYKWYAK-VWLOTQADSA-N 435.524 4.729 30 10 IJEE Cn1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c1Br 712432038 CDPSNRWGVIHGQY-AWEZNQCLSA-N 425.714 4.842 30 10 IJEE CCN(CC)C(=O)c1ccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740031130 AMHATOWBDPKBDP-UHFFFAOYSA-N 446.576 4.768 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1 778578099 BTPGGWXUTGCBBY-VWLOTQADSA-N 428.532 4.855 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 802562519 PKIOJWLEKWRZEY-HKUYNNGSSA-N 443.592 4.861 30 10 IJEE COc1ccc(-c2csc3ncnc(NN=C(C)c4cc(NC(C)=O)ccc4O)c23)cc1 915951631 GGTUSFUVGXUVEJ-UHFFFAOYSA-N 447.520 4.867 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)c(C)c1 1084653373 MDHYBBNIZBNHMJ-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(OC(F)(F)Cl)cc1 1124606630 AHEVHPCXRDULNE-UHFFFAOYSA-N 426.799 4.597 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cn3ccc4ccccc4c3=O)cc2Cl)cc1 1125269834 IECNATBUXHAGRE-UHFFFAOYSA-N 429.863 4.958 30 10 IJEE C#CCCOc1ccc(C(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 1125623219 NRKFLWFQOFWBAL-UHFFFAOYSA-N 425.484 4.506 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 1125778851 WYTIZMWITNKJCQ-UHFFFAOYSA-N 439.540 4.948 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 1126036607 DJZDAGSXXQXXJQ-MHZLTWQESA-N 438.575 4.563 30 10 IJEE C#CCOc1ccccc1CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 1126167931 AEPQGJOPSDAPRJ-UHFFFAOYSA-N 426.488 4.694 30 10 IJEE COc1cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1Br 1126386248 FIJCCLWLXAZEFT-UHFFFAOYSA-N 427.323 4.988 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cc1C#N 1127250577 IZMGDYHNIVGCOW-UHFFFAOYSA-N 444.519 4.754 30 10 IJEE C=CCC1(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)CCOCC1 1127705942 MUGFQUZKQSOGPN-UHFFFAOYSA-N 437.161 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 1128431671 DNFXETQEYQAQBM-DZFGPLHGSA-N 430.342 4.667 30 10 IJEE C#C[C@H](NC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)c1ccc(Br)cc1 1129611130 VOCGJPBOFZIHAJ-MOJYJUKOSA-N 430.298 4.501 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(Cl)cc1F 1129735054 GEDUATPFBDPIOS-NRFANRHFSA-N 438.886 4.512 30 10 IJEE C=CC[C@]1(C(=O)NCc2sc(C)cc2Br)CCCN1C(=O)OC(C)(C)C 1131380998 HBGJUPYBNSUIJN-LJQANCHMSA-N 443.407 4.781 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)OC(C)(C)C 1136498158 HRFSLFWLHATRKO-KRWDZBQOSA-N 430.545 4.784 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H](CN3CCCC[C@@H]3C)C2)s1 1146932335 ALEKHLWVJGMSOD-WMZOPIPTSA-N 442.094 4.952 30 10 IJEE C=CCn1c(SCCNC(=O)C2CC2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1164489894 XSXAQRBWEHTQPA-KRWDZBQOSA-N 444.670 4.962 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2Br)sc2ccc(C#N)cc12 1189725826 HHVBBPMHJIGKQV-DOTOQJQBSA-N 447.379 4.678 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1201314154 IDCLWLPXQHCJJG-UHFFFAOYSA-N 432.451 4.516 30 10 IJEE C=CCC[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(C(F)(F)F)cc1 1201596041 YRBCHIZLDWASTQ-KRWDZBQOSA-N 432.895 4.803 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](c3cccc(C(F)(F)F)c3)N(C)C)cc21 1209768610 ZIDWOZPHEABGNY-HXUWFJFHSA-N 431.462 4.666 30 10 IJEE COc1cccc([C@@H](NC(=O)c2cc3ccccc3n2CC#N)c2cc(F)ccc2OC)c1 1265780374 CEUDOUSRWYDLNB-RUZDIDTESA-N 443.478 4.841 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1286316546 WGIFBRBQWZEKCV-OXJNMPFZSA-N 443.389 4.899 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1cscc1C 1286421098 MTGVJUWNESLHDL-UHFFFAOYSA-N 445.411 4.650 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCC1(F)F 1286469311 HIYRTHRYTDVBCR-LJQANCHMSA-N 448.583 4.790 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286498451 IFRIDMUIPDLKHG-UNMCSNQZSA-N 438.641 4.614 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccccc1C 1286507443 IKTBDCMKDNIUSC-QGZVFWFLSA-N 425.627 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1286527462 CFPILRGCWNUQLS-OAQYLSRUSA-N 445.514 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(OC)CCCCC1 1286527750 QKANKZOJCKEAGP-RUZDIDTESA-N 436.600 4.815 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccc(C)o1 1286584979 YYZZFMJZELFJMU-MRXNPFEDSA-N 430.350 4.865 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1286660874 SQWOMEUPFJAZGS-UHFFFAOYSA-N 427.980 4.939 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286668004 OLOATEAEVPMURQ-KSEOMHKRSA-N 426.605 4.662 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)Oc1ccc(F)cc1 1286748795 BMOISSLSLJRDDI-MSOLQXFVSA-N 442.560 4.643 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(C)cccc2C1 1286837091 TWGQRHRFXKONGK-FGZHOGPDSA-N 440.657 4.987 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCS1 1287085183 DNAQENBBLZQLMF-VAMGGRTRSA-N 431.650 4.612 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 1293535014 RLWYEZLZGDNGBS-UHFFFAOYSA-N 437.337 4.799 30 10 IJEE C#CCCCCNC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1294993319 PPZURFWNWJQSMS-UHFFFAOYSA-N 430.548 4.567 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)c3cccn3-c3c(Cl)cccc3Cl)CCO2)c1 1295935525 GZULYEGZBKGNCL-HXUWFJFHSA-N 426.303 4.869 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCC=CO1 1296453783 MGLVCSFQNIOKNO-UQBPGWFLSA-N 446.547 4.669 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1300384940 WVXVAQHGNGVUCC-DNQXCXABSA-N 430.600 4.888 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H]1CCCCN1CCC 1300649916 YGKSSSGFNMWLPE-DEOSSOPVSA-N 437.607 4.979 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 1300650306 SWKGKLOTEYTIIP-OZXSUGGESA-N 438.591 4.851 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC[C@H](C)c1ccc(OC)cc1 1300807490 LTCRCSWRECBFAF-AVRWGWEMSA-N 449.624 4.828 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Oc2ccccc2OC)CC1 1301129217 NFFDCJCNHIHVLI-SFHVURJKSA-N 438.597 4.809 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC(C)C)C(C)C 1301189343 VCASFPJZZRELKW-FQEVSTJZSA-N 449.640 4.814 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC[C@H]1CCO[C@H](C)C1 1301279286 ZWGHGGJBBIKSOC-CVEARBPZSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1Cc1nccn1C(F)F 1301341569 SXQJUBLNNSAPKT-UHFFFAOYSA-N 449.465 4.551 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCCCC1 1301374659 DJPMZEFLLXQEIS-UHFFFAOYSA-N 448.384 4.511 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(Cl)s2)C1 1301566554 QLPYFPOKVUIOPT-SFHVURJKSA-N 444.988 4.710 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)C[C@H](C(F)(F)F)O1 1305148053 GXFSFFGSNNQYFJ-OXQOHEQNSA-N 447.505 4.943 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1310589145 LYPQZHSVJYQUJJ-KRWDZBQOSA-N 430.373 4.956 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C)c1I)c1ccc(Cl)cc1F 1311335618 MCXRJSLIRJDMOP-CQSZACIVSA-N 442.659 4.888 30 10 IJEE C=CC[C@@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 1350234587 MWOXYYITVXYMLF-HSZRJFAPSA-N 439.508 4.916 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)cc1 1354566185 UTEYSRRSIMFSOJ-OAQYLSRUSA-N 434.989 4.915 30 10 IJEE C=CCOc1ccc(CC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1 1357578098 PIVROBGTUKXCID-UHFFFAOYSA-N 433.379 4.882 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1358930903 IVEAZSJLEMEQPW-XMMPIXPASA-N 433.644 4.683 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCSCC(C)C 1358940357 VRUVATNVIHDFCA-UHFFFAOYSA-N 425.627 4.836 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCSC2(CCCCC2)C1 1359058747 OLPKOIJHCRJDPM-UHFFFAOYSA-N 440.682 4.800 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C 1359137376 NNWPQFDQEBQBRR-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@H]2CCCOC2)CC1 1359162206 IPBFAWAXVMOJAM-FQEVSTJZSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359164083 DOCYUPUALOWABJ-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCc1nc(C)no1 1359231267 RSOPXEJXBBIIFT-INIZCTEOSA-N 444.967 4.635 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC1(CC)CCOCC1 1359255723 IUMPOMDQAJJDJT-UHFFFAOYSA-N 442.567 4.611 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-n2ccnc2)c(F)c1 1359269053 MSMZTAVJLXYLSN-UHFFFAOYSA-N 449.921 4.545 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCCN1CCC 1359269131 PUOZSJRKDDSWKD-QFIPXVFZSA-N 430.600 4.936 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(OC)CC1 1359310399 VFJDLTDCHNUJAR-WIOPSUGQSA-N 440.588 4.528 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C[C@@H]1CC 1359310759 FZYBBBLVXFTWAX-UWJYYQICSA-N 437.613 4.872 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(C)CCCS2)C1 1359313943 UBJQWGFROVAQTJ-YZZKKUAISA-N 446.592 4.624 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC(OC(C)(C)C)C2)C1 1359317223 DTKYHSVQPOMSFT-UTCTYZAISA-N 449.599 4.582 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)c1 1435027256 HPEJERICLWEJBF-UPVQGACJSA-N 433.548 4.728 30 10 IJEE C=CC[C@H](CC)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 1436066371 WBXVRCWUVQEENR-IBGZPJMESA-N 436.581 4.814 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)c2ccc(Br)nc2)s1 1457083717 CHMDUHKTCHWPBB-UHFFFAOYSA-N 432.796 4.659 30 10 IJEE C[C@H](c1ccc(Br)cc1)N1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1458177351 FPBSBVOCDAHUFC-MRXNPFEDSA-N 427.390 4.896 30 10 IJEE C#CCN(Cc1ccc(C)c(C(=O)OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1459513519 PBHYJVKRDVXSCZ-HXUWFJFHSA-N 428.326 4.503 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nccc(Br)c2C)s1 1461080957 FQIYLOWOSANOPB-UHFFFAOYSA-N 432.796 4.943 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1470653904 TZGDTNGAGDGIPA-DEOSSOPVSA-N 446.544 4.632 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1)c1ccc(Cl)cc1 1470662187 GHSJITAZYYPLMP-OAQYLSRUSA-N 430.907 4.702 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1 1470662842 KWEGVPYKFPTEQO-YWZLYKJASA-N 446.776 4.603 30 10 IJEE C#CCN(C(=O)CSc1ccc(C(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882933 XLFKVMFMCXXXEP-UHFFFAOYSA-N 430.614 4.763 30 10 IJEE C=CCn1c(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nnc1-c1cccc(C)c1 1472647762 WQTYZKHKLDPIND-UHFFFAOYSA-N 428.477 4.919 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OCC)cc1)C(=O)OC 1472921341 OHUHQTRNMHNEGF-FQEVSTJZSA-N 439.537 4.551 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC2CCCCC2)C(C)C)nc2sc(C)c(C)c2c1=O 1472928761 DOSQIHHHKQOJBD-GOSISDBHSA-N 433.643 4.826 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3)C(=O)OC 1472938140 JBUUFJUMMJPVSW-QGZVFWFLSA-N 440.590 4.763 30 10 IJEE COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(C#N)c(Cl)c4)CC3)c2c1 1475884195 BKZZSWDAUOBOQB-UHFFFAOYSA-N 436.899 4.891 30 10 IJEE C=CCc1cc(CNC(=O)N2CC[C@@H]2c2ccc(Br)cc2)cc(OC)c1OC 1477657034 DTZNKHNJRVJOPL-LJQANCHMSA-N 445.357 4.851 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 1478284552 JVKADAKMGHEVNI-DMTNHVFBSA-N 433.596 4.694 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCCc2ccccc21 1478313404 RWXYXFWHSXAEGD-FDDCHVKYSA-N 425.935 4.780 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCc2cccs2)CC1 1507556297 KHJNOQPJCPCYIZ-UHFFFAOYSA-N 447.652 4.737 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC2(CCCC2)C1 1507556749 OJIPEVYWECOBOD-UHFFFAOYSA-N 428.964 4.560 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSC(CC)(CC)C1 1507563392 VKIZOJYZZLXCKI-UHFFFAOYSA-N 440.613 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCCCCC1 1507762083 OPPMNDRGUSCEQQ-HSZRJFAPSA-N 442.991 4.685 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)CC1 1507796142 LBUSJENUQLPANL-QUCCMNQESA-N 432.515 4.764 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CCC(C)C)C1CC1 1507807576 VZPOWRHLXKANLC-PGRDOPGGSA-N 429.634 4.630 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1CSC 1507838494 RXBMGTWFFIIYOT-KRWDZBQOSA-N 437.009 4.532 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C)CC1)c1ccccc1 1507929557 QXBCEVLDOOAHGU-OAQYLSRUSA-N 447.608 4.786 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1CCN1CCCC(C)(C)C1 1507997705 WWHWZDIQSFSEAB-NRFANRHFSA-N 434.632 4.978 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1(OC)CCCCC1 1507998025 JCYINMZSMVOHTG-UHFFFAOYSA-N 447.583 4.891 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1cc(F)ccc1OC 1508007472 COSWTXHKYBRIBE-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(C2CC2)CCC1 1508037197 GNKTWQRENRCCGV-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(C(CC)CC)no2)C1 1508118553 WDFQJWKRYOZYBP-GOSISDBHSA-N 425.533 4.568 30 10 IJEE C=CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1516157655 YGSGELHXGXKKBG-HHHXNRCGSA-N 437.539 4.889 30 10 IJEE C=C(C)[C@@H](NC(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21)c1ccc(F)c(F)c1 1517412265 VTTNGLZILFJHEU-SCLBCKFNSA-N 435.268 4.587 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(C3CC3)CCC2)ccc1OC(C)C 1517953939 IDFXQEIIVYUNDJ-GOSISDBHSA-N 437.588 4.917 30 10 IJEE C#CCSc1ccc(COC(=O)COc2ccc(Cl)cc2Br)cc1 1523209767 GUQRVWXONKIEQY-UHFFFAOYSA-N 425.731 4.950 30 10 IJEE C=CCCCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 1524209052 WZHGEZSMBHNRHG-WIOPSUGQSA-N 436.552 4.661 30 10 IJEE CCn1c(SCC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 1526207611 AMVBTNKKLCZAOK-HNNXBMFYSA-N 439.972 4.802 30 10 IJEE C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1529439748 CZPLFFOUBUCKOB-XMSQKQJNSA-N 434.536 4.720 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)CCCN1C(=O)OC(C)(C)C 1532518185 XTSIQLCETIQFAR-XMMPIXPASA-N 440.544 4.892 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCSC[C@H]2C(F)(F)F)s1 1537701158 XBIUEEBIGXKMLR-LBPRGKRZSA-N 430.970 4.735 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 1538889728 CBVNXZABBYKUAD-YOEHRIQHSA-N 431.514 4.504 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc2c(n1)CCCC2 1538970596 CUPKKCPZOHLVBP-TZIWHRDSSA-N 443.595 4.815 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)=C(C)C1 1539072629 STTHXMQTDMNOIK-UHFFFAOYSA-N 441.620 4.743 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1ccc(Br)s1 1539183273 YVTINEXOOGEWBA-UHFFFAOYSA-N 449.805 4.658 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)N1CCCCC1 1539295805 GNLUNPUOGMBCOM-DEOSSOPVSA-N 431.628 4.547 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(C)c1 1539632381 RCEOVEBFKBRLHL-NZQKXSOJSA-N 426.605 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCN(CC)C1 1539656046 SKKKOPMOTUFNEK-MOPGFXCFSA-N 427.662 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1539677429 CBLHPFXXOLDFRM-LADGPHEKSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC(F)(F)Br 1539678326 PRVCUZHZCLBGDC-UHFFFAOYSA-N 449.727 4.901 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCOC(C)C)CC1 1539881970 AUAUAQFUGQLVSE-UHFFFAOYSA-N 428.577 4.568 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCCCC2)CC1 1539896880 VOGZCHPFPOIVTR-UHFFFAOYSA-N 425.646 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1539909931 BTEGGTSGYWYXTI-UHFFFAOYSA-N 448.615 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1539920399 DHPCWSVLNCBNNB-HSZRJFAPSA-N 449.643 4.522 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1539963179 MWNQUEUCTJTRTI-NRFANRHFSA-N 439.604 4.876 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1540091950 BOTPIKAHBLPMHP-WBADGQHESA-N 438.616 4.987 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCC(C)CC2)cc1 1540161119 DVMSOBAEHDZEAD-UHFFFAOYSA-N 430.600 4.747 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1540186916 ILQWBBDLPLNLRZ-OFNKIYASSA-N 426.605 4.900 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1540856101 SFCJKZQEPDKQIE-HNNXBMFYSA-N 441.295 4.904 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@@H]2C)o1 1542299904 GPPLJDLETRNJLC-AVRDEDQJSA-N 433.556 4.950 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1nc(C(C)C)cs1 1554762909 DQMQMQLXEZBHBM-AWEZNQCLSA-N 444.992 4.974 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1C 1557524387 XMVNCOIYKGZGIH-GOSISDBHSA-N 431.533 4.587 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)c1ccc(F)c(F)c1 1564597854 RLVMRSKHUSCMDE-UXHICEINSA-N 437.531 4.869 30 10 IJEE C#CCN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCCc2ccccc21 1564642573 NCMPVUZJHVXKMG-WOJBJXKFSA-N 443.316 4.744 30 10 IJEE Cc1ccccc1NC1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCCC1 1569027974 BKTWJYTVZCRICQ-UHFFFAOYSA-N 442.357 4.549 30 10 IJEE C=CCN(C(=O)c1cc(Cl)c(Cl)cc1OC)[C@H](Cc1ccccc1)C(=O)OCC 1585015199 HDQHTJOYFYSDLQ-LJQANCHMSA-N 436.335 4.805 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C)C(C)C 1585128741 KEIRSSHPZALKGZ-GOTSBHOMSA-N 441.616 4.683 30 10 IJEE C=CC[C@]1(C(=O)OCC(=O)Nc2cccc(C(C)C)c2)CCCN1C(=O)OC(C)(C)C 1585547671 UTHUMLTUGHAZGE-XMMPIXPASA-N 430.545 4.638 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 1587234875 YMASPPVWSMJFFJ-BEFAXECRSA-N 428.374 4.988 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cn(CCCC)nc1C 1587561654 GIYJSAJTPDOLHU-DENIHFKCSA-N 448.615 4.846 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1sc(C)nc1C 1587580728 RQKFNKOEJLCEEB-GJZGRUSLSA-N 439.654 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCC(F)(F)C1 1587598519 BXGOBKMOGKOHFC-IRXDYDNUSA-N 432.515 4.636 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCN(CCC)C(=O)OC(C)(C)C 1587609668 RCCFVBOLFNZFKC-QGZVFWFLSA-N 445.995 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C 1589150913 NUYFJTKFUNTJMD-AXHZCLLHSA-N 444.023 4.631 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CCC2)C1 1589303923 ARJJCVIOTYXVQI-UHFFFAOYSA-N 439.304 4.836 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)CCc1cccs1 1589530959 ZXXRJPWUNKPCLM-JBACZVJFSA-N 430.618 4.631 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(OCc2ccccc2)CC1 1589544589 IWVCVOGDNIZJSU-RCZVLFRGSA-N 438.616 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(C)CCCO1 1589609475 ZPQLNRYEEMIORV-OAQYLSRUSA-N 449.393 4.688 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1593650127 MGEKMVQJQTXKQL-UHFFFAOYSA-N 428.540 4.564 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CCSC2)CC1 1594071063 XWJZZVVPBYCMOU-HNNXBMFYSA-N 449.418 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1594202395 ODIIJLIKLJWQJH-PKOBYXMFSA-N 432.515 4.500 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCCCOCC)CC1 1594208017 ABYDYIDWWWWKHQ-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(F)(F)F)CC1 1594218273 AVSOZIKUENQXSD-UHFFFAOYSA-N 433.247 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(NC(C)=O)c1 1594895200 HGJTYNFNISYRHD-UHFFFAOYSA-N 435.597 4.904 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C 1595171782 YJQOSQXUNKFNFC-QHAWAJNXSA-N 433.710 4.896 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)C1CCCCC1 1595275527 FXKXKQZAJSSSAV-HSZRJFAPSA-N 432.996 4.569 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1595323943 HOPPMYOOBFLUKY-KBXCAEBGSA-N 445.386 4.922 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2cccc(OC)c2)CC1 1595330184 NVFWILCRAFZTNC-UHFFFAOYSA-N 442.361 4.614 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595350701 SCIJIYJDBBPZQL-GHTZIAJQSA-N 439.604 4.823 30 10 IJEE C#CCO[C@@H](C)C(=O)Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1Cc1ccccc1 1595862896 BJWMKYHQGUCHNY-HNNXBMFYSA-N 428.319 4.882 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)C(=O)OCC 1596777692 JCZCVUYBXIEFJL-AWEZNQCLSA-N 446.878 4.941 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 1611936444 BHOIQOXZHHEQAQ-HNNXBMFYSA-N 437.906 4.937 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)c2nccs2)c1 1612242424 CUJRMLVXFIRIAE-WZONZLPQSA-N 436.585 4.556 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)N(C)Cc3cc(C#N)cs3)c2)cc1 1617851815 MUDPZJBYEPFJKV-UHFFFAOYSA-N 432.545 4.993 30 10 IJEE COCCC1(Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1619785811 GUCKSOLTDCHWNX-HSZRJFAPSA-N 425.552 4.811 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-n3nccn3)cc2)cc1OCC 1620847816 QZMHGWZBDCXXAH-UHFFFAOYSA-N 429.318 4.605 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1 1623891098 IEVRETSYNIRECN-UHFFFAOYSA-N 444.576 4.798 30 10 IJEE CC#CCCNC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1624092874 IVRBTJJQFYJORP-UHFFFAOYSA-N 448.588 4.572 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1627129623 GCGYWFPOFTXSPY-HTAPYJJXSA-N 447.535 4.960 30 10 IJEE C#C[C@H](NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1636312794 RZONWESXKXOAGG-CVDCTZTESA-N 430.907 4.710 30 10 IJEE C[C@H]1[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCN1Cc1ccccc1 1638399034 AWMGDCSNUOTJNV-UUOWRZLLSA-N 429.495 4.882 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)c1 1638458285 YEJPYIPBMIAJBA-UHFFFAOYSA-N 449.494 4.702 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C 1638902863 ZHKVWOWWFPIPEE-GOSISDBHSA-N 436.915 4.900 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N2CCC(Cc3c(F)cccc3F)CC2)c1C#N 1639005480 DPZRZIFDIWWPHG-UHFFFAOYSA-N 427.520 4.926 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2c(C)nn([C@@H](C)CC)c2C)[nH]n1 1640483498 OHIXOKRYPCCZRB-KRWDZBQOSA-N 437.592 4.857 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@H]2C)cc1 1641286796 HVPAHCVEZIIGJC-TYCQWZJGSA-N 429.561 4.636 30 10 IJEE CCCN1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c2cc(F)ccc21 1642967184 GVRZGUXKSSUDRR-QGZVFWFLSA-N 426.561 4.895 30 10 IJEE CCO[C@H]1C[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C12CCCCC2 1642983406 CIJYQDATDUMMLP-ZEQRLZLVSA-N 448.611 4.681 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CCC[C@]2(CCOC2)O1 1643491238 LWUYWXATVHJECB-WIYYLYMNSA-N 435.977 4.517 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O 1645353210 CFSJYZFPPBZBDF-HXOBKFHXSA-N 432.520 4.751 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC 1647827908 HXCNSJYMDAACCP-GASCZTMLSA-N 430.957 4.977 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)c1ccc(F)cc1 1649541099 CZALDXPSTIVRDK-UHFFFAOYSA-N 439.535 4.525 30 10 IJEE C#CCN(C(=O)Cc1cc(Cl)cc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1651973687 SWFRKYJJQWVSOS-UHFFFAOYSA-N 440.971 4.897 30 10 IJEE C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1654998751 ALHUSEHCRYUYEQ-JTQLQIEISA-N 429.357 4.945 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)c1ncnc2c1c(Br)nn2C(C)(C)C 1655466822 ALGCLXMBJWGJCK-UHFFFAOYSA-N 446.397 4.704 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(Br)cc1Cl 1655626551 RXZSUUSGNJDCTL-QGZVFWFLSA-N 428.779 4.709 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 1658230370 ATLMDNSMFYXSTO-HXUWFJFHSA-N 441.535 4.731 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1)c1ccc(F)cc1 1658482042 UYPUPHIGKFALRP-DEOSSOPVSA-N 429.495 4.917 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2cnn(-c3ccc(Br)cc3)c2)cc1 1661472782 JITJZVWXNVCXHX-UHFFFAOYSA-N 426.318 4.554 30 10 IJEE CC(C)(C)c1cc(NC(=O)Nc2ccccc2O[C@@H]2CCOC2)n(-c2ccc(C#N)cc2)n1 1661695276 GKMYWYCAJPEJIG-LJQANCHMSA-N 445.523 4.853 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1662648588 BBRYSQBJIPZVJW-LLVKDONJSA-N 447.276 4.721 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(Cl)cc1F 1663868933 WOVORDZBQDNKKQ-HNNXBMFYSA-N 441.780 4.786 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cc(F)ccc3Oc3ccccc3)C2=O)cc1 1666781880 GMMAGUAIXHLOJG-OAQYLSRUSA-N 444.466 4.807 30 10 IJEE Cc1csc(NC(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c1C#N 1671138606 BEGBBXPITJVSCZ-HNNXBMFYSA-N 426.542 4.979 30 10 IJEE CC(=O)c1cccc(NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1672420984 PMQMYKDGNOSLRI-TXEJJXNPSA-N 430.295 4.524 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CCCC1(C)C 1676045242 SVCVKYQXRKQAIZ-LJQANCHMSA-N 431.378 4.911 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 1677041488 MESQAIPBRDJQSK-CQSZACIVSA-N 425.451 4.607 30 10 IJEE C#CCN(C(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl)C1CCN(C)CC1 1680287799 JOUHVZHDIQBWST-UHFFFAOYSA-N 430.379 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 1680700842 TZVTVSREYHMVHQ-RXVVDRJESA-N 440.415 4.582 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)C1 1681903161 WDGPYYOFJJFYLF-SFHVURJKSA-N 428.964 4.938 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1 1682742302 FOFQSOSYPMWHBV-HXUWFJFHSA-N 431.305 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncc(CC)s1 1689835235 IXUPJSQYPUDWTK-HNNXBMFYSA-N 425.627 4.801 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](CC(C)C)C1 1690184231 FWCSMHNTUZPWHO-GOSISDBHSA-N 433.021 4.749 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC)Oc2ccccc2F)CC1 1690411804 VDKYBECOFZWLRL-PMACEKPBSA-N 428.552 4.571 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1690412348 MURUSSYAZHRGKB-REWPJTCUSA-N 429.008 4.986 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1690516025 ZHLGPLHPYSGHJN-OAHLLOKOSA-N 429.565 4.982 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CSCCS1 1690520746 BQYWXHHSYWNVOV-HXUWFJFHSA-N 432.659 4.841 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1690682099 DLCONHSYSCQQIX-PKTZIBPZSA-N 449.599 4.537 30 10 IJEE Cc1ccsc1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC1CCOCC1 1692916871 BLBXJGDGSVRFOX-UHFFFAOYSA-N 435.597 4.682 30 10 IJEE COc1ccc(C(C)(C)Cn2c(CC(C)C)nnc2N2CCC(CC#N)CC2)cc1OC 1697324114 CKVKXDRLIWNOCR-UHFFFAOYSA-N 439.604 4.602 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1CSC 1705529131 FAOMNCIRPGLDOB-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CCC1 1705697255 KNOPGNFYQCMAOM-UYAOXDASSA-N 432.515 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)c1cccs1 1705709985 HAIJQJYDZKCJNC-SBUREZEXSA-N 444.576 4.929 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(C)c(OC)c2)CC1 1705783336 CMEUNKVMHKQDBX-UHFFFAOYSA-N 437.613 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)CC1 1705785953 BYKUFKHYDUXCBW-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705794633 OSRINEVBDIRNDE-OAQYLSRUSA-N 448.615 4.804 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1705809949 JIFITLAVNCKDJV-QZTJIDSGSA-N 445.633 4.818 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCC1(OC)CCC1)C1CC1 1705850145 IPBSQUUVQWASKP-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H](OC)C(C)(C)C 1705857442 VQLHAYLUVPODHS-QFIPXVFZSA-N 437.588 4.546 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@@H](O)C1 1705871176 AGKLJHGYVUKPNT-DOTOQJQBSA-N 449.368 4.576 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCc1csc(CC)n1 1705871312 FPRHXCJRPCNDTI-UHFFFAOYSA-N 430.581 4.933 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CC(C)C)CC2)C1 1705923955 QZQJDZDFGMMLRD-GOSISDBHSA-N 430.543 4.755 30 10 IJEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)n1 1707614759 GBEPRMONSUIZRJ-IBGZPJMESA-N 444.583 4.547 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722328044 LGEQLZBQBKWSRF-UHFFFAOYSA-N 430.600 4.651 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCS1 1722421929 PJTWKVUJUAVJPQ-OAQYLSRUSA-N 435.572 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccsc1)N(C)C 1722467390 ANNLQBHDGVMGDI-NFBKMPQASA-N 440.016 4.955 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1722518871 RXIGNHGINULZKY-ZWKOTPCHSA-N 448.409 4.786 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722553805 HTJXDTHCEOMTJS-LIMIJEPZSA-N 445.007 4.639 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)C2CC2)CC1)c1ccccc1 1722595487 WRWZZABOVRLVQU-KNQAVFIVSA-N 435.616 4.647 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1722627987 VQGQRQOTYNLSND-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CC)CCOCC1 1722634971 KDCSXXZWXQUFST-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1cscc1C 1722662197 HNVJSBDXYHPZJR-UHFFFAOYSA-N 438.626 4.812 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1 1722675496 NEAMWUZMSHKQSF-UHFFFAOYSA-N 434.519 4.603 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722703666 YZJVELMPRRVYNI-HZPDHXFCSA-N 431.968 4.524 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1722733759 LHHQOJFSYFKJRT-IBGZPJMESA-N 428.993 4.593 30 10 IJEE C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C#N)CC1)c1nccs1 1723817861 HLZQEHMAQLHFTC-CYBMUJFWSA-N 430.940 4.738 30 10 IJEE CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1727245661 BXSGDZVFHCCEFR-NVXWUHKLSA-N 435.403 4.722 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1727758581 FUQKJOOJSHDKJS-IBVKSMDESA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](CC)N1CCCC1 1740537692 GMWHNQARFJBEAN-RXVVDRJESA-N 448.640 4.709 30 10 IJEE C#CCN(CCOC)c1nnc(C2CCCC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1740684757 ASSODRZZBMBAOI-IBGZPJMESA-N 438.469 4.643 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccccc1)Cc1ccco1 1740715453 JLDCJFBVJSGSIV-UHFFFAOYSA-N 443.576 4.815 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1740718394 NUEAYRFFGGXZNE-VXKWHMMOSA-N 440.613 4.626 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N(C)OC1CCCC1 1740749217 YKQGUGPUBCITAK-UHFFFAOYSA-N 435.366 4.693 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H](C)N2CCCCC2)CC1 1740839068 AFXQDKCYUHWXOG-LJQANCHMSA-N 443.586 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1N1CCOCC1 1740845026 BRVHXFCOSZKUGE-UHFFFAOYSA-N 449.599 4.922 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1CCN(C2CC2)CC1 1740915492 IXYFVQLASBKNST-UHFFFAOYSA-N 437.632 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCc1ccccn1 1740922580 MEMUEGGRADNARO-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(N2CCCCC2)c1 1740925936 SWWOIGAKQJUOQV-UHFFFAOYSA-N 444.583 4.566 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1CC 1748684325 HEZLXRLSOMGFIP-BZSNNMDCSA-N 445.405 4.904 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC2(CCOCC2)C1 1748760288 YWXKEZIACRTQNV-UHFFFAOYSA-N 436.600 4.709 30 10 IJEE C#CCCCn1c(COc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1748760711 CZYZHIOHUGSUPI-FCHUYYIVSA-N 440.563 4.584 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(C)CCCS1 1748835812 JIDQPQGVDWKORQ-RUZDIDTESA-N 436.625 4.729 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(Cc1cccc(F)c1)C1CC1 1749045169 XCKSEHAKEBNCMU-UHFFFAOYSA-N 426.586 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCCCOCCc1ccccc1 1749066177 HMOIFVTYBHDJAP-JYFHCDHNSA-N 436.600 4.551 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N(CC)C1CC1 1749085250 ABUDSXGUAHKFOS-UHFFFAOYSA-N 426.156 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)C1CCC1 1749119810 XGZYOHGAESXTET-PWHSHALESA-N 440.588 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)N1CCC[C@H](C)C1 1749146862 PRWFAFOLNKBZBB-IBGZPJMESA-N 440.592 4.766 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1749276279 GYYNFGDJTCFENZ-LPHOPBHVSA-N 427.980 4.744 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cccnc2OC)CC1 1749292562 SGADDOBWJIQWTH-HXUWFJFHSA-N 433.556 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1749293773 GMVAIXWRXIFNMG-XMMPIXPASA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1749330594 ILKRHJNOLHGZEQ-LJQANCHMSA-N 445.558 4.681 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(F)ccc2OC)CC1 1749352286 KDVWAPYTEKJICD-IFMALSPDSA-N 442.579 4.795 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749406118 ADHPCSRJGHNINT-JOCHJYFZSA-N 434.588 4.868 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@](C)(CC)C1 1749418169 ZIAZBSGAFIFLPG-OAQYLSRUSA-N 433.394 4.988 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1749438027 OZTLOGWAUZZFRL-XLIONFOSSA-N 439.362 4.983 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749460503 BVEUXOLTFKZCTB-AHJNKEMKSA-N 430.637 4.804 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1749467453 PPASTCFVHXDCQI-NQIIRXRSSA-N 431.378 4.535 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccc(CC)cc1)N(C)C)C1CC1 1749516233 VPSRTOZNZYDNGQ-DEOSSOPVSA-N 430.600 4.669 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccnc1OC1CCCC1 1750468227 DWMBXQSDFJTZSR-RUZDIDTESA-N 436.604 4.761 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC(C)(C)C1 1752311571 CYRKGMKENHKBLT-GHTZIAJQSA-N 432.572 4.585 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC2(CCCCC2)O1 1760122864 UAEJUQJZKDZYJR-FGZHOGPDSA-N 436.600 4.814 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC(C)C)C1 1760161514 KTYYXPCTJGLHLL-SFTDATJTSA-N 443.636 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@@H](CC)C1 1760325501 QDMHPUCLPFQOKM-CBQOVEMMSA-N 447.048 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCCC1(C)C 1760328534 XIUFXDAIUCSRFK-AVRDEDQJSA-N 442.629 4.939 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCC(C)CC1 1760331093 PMRJXGMWIKGVPQ-QGZVFWFLSA-N 449.441 4.559 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN(C)C(C)C)CC1 1760397142 NGKLQKDZTNHSAX-NRFANRHFSA-N 425.621 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760409634 BHIYEKMALKHLEB-OAQYLSRUSA-N 445.615 4.751 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1760412273 JBTLUHSAMRETAD-MRXNPFEDSA-N 440.514 4.511 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1760417688 GZJSQBSONOYLHK-RTBURBONSA-N 434.506 4.921 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1760421468 PXWOHASICDZKSU-UHFFFAOYSA-N 442.926 4.711 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1 1760430931 YQVVZZZFTGJUOA-IBGZPJMESA-N 429.565 4.936 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1760447487 OOWADDFNVLHFLZ-ROUUACIJSA-N 448.995 4.668 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([S@](C)=O)CCC1)C1CC1 1760470868 FVEPCMDHVOQVKI-DFYVNMARSA-N 449.020 4.528 30 10 IJEE C=CCN(c1nnc(Cn2ccc3ccccc32)n1CCSCC(F)(F)F)C1CC1 1760476538 XHRWMEBRLRKKHQ-UHFFFAOYSA-N 435.519 4.731 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(CCc1cccc(F)c1)C1CC1 1760507036 BBGUJDPJZSAVOE-UHFFFAOYSA-N 430.325 4.572 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Br)s1 1761098604 HWLCGBPLNBVUGQ-UHFFFAOYSA-N 444.402 4.976 30 10 IJEE CO[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC#N)CC1CC1)C1CC1 1768085890 GCMLNOWGMKRHKC-IBGZPJMESA-N 434.371 4.807 30 10 IJEE CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]21 1848438148 WUVPAYPBMZMHJO-BBNLVKCDSA-N 428.569 4.772 30 10 IJEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(OCCCCCC)cc1 1861526793 WWIYQEKPUJKBHH-LADGPHEKSA-N 446.632 4.698 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(Cc2cccc(F)c2)n1 1862343730 GRVCVNVSCQLTFX-UHFFFAOYSA-N 429.417 4.969 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1862444396 ZXZYRMHXPQTVRI-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862476838 PFVXIIQXFGVXHC-JOCHJYFZSA-N 449.890 4.838 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2c(c1)OCCO2 1862549028 GQCQECOJAMCCMG-UPCLLVRISA-N 447.531 4.713 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862590811 QIPUMTKVHLTJLR-XMMPIXPASA-N 443.499 4.612 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(F)c2)c1 1862703480 VJWGNJPYTUQCDN-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863093374 NHQBXIJAVQRZLG-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(F)cc3)C2=O)c1 1863402320 VRWODQBJOBXBLW-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE COc1ccc(Cl)cc1C(=O)N[C@H](C(=O)N[C@@H](C#N)c1ccc(C)cc1)c1ccccc1 1867609697 MXLNRYYWLSNPMC-GMAHTHKFSA-N 447.922 4.509 30 10 IJEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CSc1nnnn1C 1870186951 WDSXXBIEJIOQFD-UHFFFAOYSA-N 435.638 4.984 30 10 IJEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871046030 LBFUMRFNVJXJAR-UHFFFAOYSA-N 445.563 4.704 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1cc(Cl)ccc1C 1871195325 KWNMXBJLLSIEGG-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)cc1 1871385942 VDIBNGLDVNUIBB-HAHDFKILSA-N 442.467 4.936 30 10 IJEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(OC)c1OC)C2=O 1871395821 RIMYOIXULWTCGC-STZFKDTASA-N 425.525 4.956 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(OCC)cc2)[nH]1 1871532266 UOOLBSNSGTWCMT-UHFFFAOYSA-N 434.588 4.917 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871765076 ZMMHBTCLCJHKOU-IBGZPJMESA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872239866 DBISBHPZTYFLNI-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(N3CCCCC3)ncnc21 1873668535 BAXAVZPKWYHXQD-UHFFFAOYSA-N 429.446 4.879 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(O)c(O)c1 1874250249 VUQNILWRLPGHGJ-ZVHZXABRSA-N 438.553 4.560 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccc(C)c1 1874424038 QWAXEUYNGIDXDR-HZHRSRAPSA-N 441.626 4.938 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(C)cc2)cc1 1874443193 VNUWYGUGPOLKKE-JAMLUQCHSA-N 449.580 4.613 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)ccc1O 1874461297 HECVSZVPTWWHIA-YSURURNPSA-N 440.422 4.715 30 10 IJEE CCCCc1nnc(SCCC)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874479375 XVQBDCSMAVLROL-UDWIEESQSA-N 441.395 4.872 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1ccc([N+](=O)[O-])cc1 1874506558 JIRRQQMVJUDEHP-HZHRSRAPSA-N 437.525 4.878 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CC2)c1 1874518485 VRMQKUYLWIYFFL-MFKUBSTISA-N 449.580 4.866 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874694233 SJMJEZZVOAPXRH-NTUHNPAUSA-N 448.471 4.593 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)c1 1875104031 BZYBJWWCFJBEIR-PKNBQFBNSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3F)c(OC)c2)cc1 1875112427 IBKWLBIYXLBGQK-MDWZMJQESA-N 436.435 4.967 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875126898 GOGVYKVPCXZXKO-RIYZIHGNSA-N 447.443 4.874 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(-c3cc4ccccc4o3)on2)c1 1891729339 KEZCOLAPJDZFPW-UHFFFAOYSA-N 443.503 4.746 30 10 IJEE Cc1ccc(CN(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 1915605699 HQVADGUAEJRJMO-QHCPKHFHSA-N 435.417 4.864 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CN(CCC(F)(F)F)C(=O)OC(C)(C)C)NCC 1922094790 ODMGXGPMNKNNNM-LJQANCHMSA-N 430.511 4.927 30 10 IJEE C=CCC1(NCc2cccc(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 1924542089 IJGIDZQHTBYETI-UHFFFAOYSA-N 425.367 4.590 30 10 IJEE C[C@H]1CN(c2cc(Br)cc(F)c2C#N)C[C@H](C)N1C(=O)OCc1ccccc1 2054429739 YLEDFGDTXZMVBJ-GJZGRUSLSA-N 446.320 4.696 30 10 IJEE C#Cc1cccc(N(CC)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1 2059473043 OIHVYLKBMGCTQT-XXBNENTESA-N 436.552 4.519 30 10 IJEE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C=NO)c1I 2079846308 BHGLOPVYZBHONP-LBPRGKRZSA-N 449.239 4.555 30 10 IJEE CCc1nn([C@@H](C)c2ccc(C(F)(F)F)c(F)c2)c(I)c1C#N 2079952031 BUNQMSYVPYOIIZ-QMMMGPOBSA-N 437.178 4.689 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1nc(CCC)[nH]c1Br 2087651905 FINXLNJNFMMSSL-UKRRQHHQSA-N 429.403 4.635 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)C1 2106024263 QPCBDYUEMZWVJD-GXTWGEPZSA-N 426.330 4.955 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)c1ccc(NC(=O)OC(C)(C)C)cc1 2106593078 DJMBVEKTSKPEKI-UHFFFAOYSA-N 438.377 4.969 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cccnc1NC(=O)OC(C)(C)C 2165484782 VWFJIILAXKMFIU-UHFFFAOYSA-N 432.318 4.815 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1Br)C1CCCCC1 2181114754 NLIJGFHLJUXRIO-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)C1(C)C 2186215125 RMZXCABVCGARRY-BBRMVZONSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@H](O)C#Cc1ccccc1Br)c1ccccc1 2235739723 JSYMRSFZKCBDAM-QUCCMNQESA-N 430.342 4.818 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#Cc2ccccc2Br)C[C@H]2CCCC[C@@H]21 2235739858 KRBZNBSXCMVGAG-BTHPGYMESA-N 434.374 4.730 30 10 IJEE C=C([C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(F)(F)F 2243708725 ONYJBFWKEHIGIP-SFHVURJKSA-N 428.495 4.537 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255624689 HAVGKISTVJEGTQ-SFHVURJKSA-N 425.378 4.964 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2262198733 BJWNNFSWKPNIAO-RUZDIDTESA-N 445.556 4.553 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1ccc(Br)s1 2262200757 VCZAEPMKCJEJIS-IBGZPJMESA-N 425.344 4.990 30 10 IJEE C=CC[C@]1(COc2cc(Br)cc(F)c2N)CCCN1C(=O)OC(C)(C)C 2272088852 KVLJUICNVAOXTP-LJQANCHMSA-N 429.330 4.895 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 2296220321 XBMYVPXWWUFKPP-OXJNMPFZSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](N)C#Cc2cccc(Br)c2)C12CCCC2 2296272681 LUCMTBKZXMMEKB-MOPGFXCFSA-N 433.390 4.698 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CC(C)C1 2296289032 NKQZAQHIJIKFMQ-COFLGROHSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2296290353 BSCBMODTWAWCKZ-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c2)SC1=S 2297303034 KKPALCADOWYMCA-UHFFFAOYSA-N 442.518 4.570 30 10 IJEE CCCCN=C1SC(=C2C(=O)Nc3ccc(Br)cc32)C(=O)N1CCCC 2297462368 JHSCTNSXEANBFQ-UHFFFAOYSA-N 436.375 4.644 30 10 IJEE O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 2313541558 OGNSRFNNTGEZFA-UHFFFAOYSA-N 438.248 4.522 30 10 IJEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3CCOc3ccccc3)cc2)cc1 2322024020 CVHAGQVYZBURIP-UHFFFAOYSA-N 444.560 4.958 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)cc1 2322216642 YEXXBJWVOROFPE-UHFFFAOYSA-N 441.483 4.750 30 10 IJEE CCOC(=O)c1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccco3)C4=O)C2)cc1 2322312530 WKBVUWRZMSBSJY-UHFFFAOYSA-N 445.471 4.733 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1nccs1 2323371176 KHMZRTCMLKERKM-UHFFFAOYSA-N 443.868 4.618 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(N)=O)c(Br)c1 2324220908 IQMOXFFNUUGBPA-UHFFFAOYSA-N 446.341 4.515 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)N(CC)CC 2324381004 WISQUSGUQZRXRR-UHFFFAOYSA-N 439.552 4.854 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2nccs2)cc1 2324693889 VMINRJOJVNRBMN-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)[C@@H]1CCCO1 2325763078 CRYGNMCBDWNJGO-FQEVSTJZSA-N 430.884 4.646 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCCO)nnc2-c2ccccc2Cl)cc1 2329618089 FJJSHDRZDZZJGX-UHFFFAOYSA-N 430.961 4.744 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329837176 RXYGGGZMJGITOA-UHFFFAOYSA-N 446.935 4.926 30 10 IJEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1cc(OC)c(OC)cc1OC 2330276467 NHOAFSZSFPEHQM-UHFFFAOYSA-N 430.574 4.587 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2OC)c([N+](=O)[O-])c1 2331068985 BVXYLQGODDFLMJ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)c1 2331170205 OTBGJTBQTIFMCA-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE COCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc2ccccc12 2331565569 SDIMMINVTKBNMV-UHFFFAOYSA-N 433.493 4.660 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)cc1 2331733944 IHKLYIJFDLDNQV-UHFFFAOYSA-N 430.537 4.558 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)COC 2331883184 PLQBRMNMLXTTDW-UHFFFAOYSA-N 430.884 4.534 30 10 IJEE CC[C@@H](NCCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338515969 IEAYUNMPCFULKA-HXUWFJFHSA-N 446.441 4.720 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(Br)ccc2OC)C1 2339212527 VNJKTKMTKLYOCL-KRWDZBQOSA-N 425.367 4.579 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NCCc2sccc2Br)OC1(C)C 2339394193 KMYKZLCDNZFDJY-UHFFFAOYSA-N 443.603 4.513 30 10 IJEE Cc1c(Br)cccc1CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364858740 RDSDSBPVSSMQPK-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE O=C(Oc1cccc(/C=N/c2cc(Cl)ccc2O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3113312 SXHVNWIBPQXURL-SSDVNMTOSA-N 441.783 4.832 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)C/C2=N\OC(=O)c1ccccc1 33960621 BVLWSHOLLFSGHO-XJHCDOBBSA-N 435.480 4.963 30 10 IJEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccccc1 35059014 JSNWKKWQFMFQHN-UHFFFAOYSA-N 431.536 4.879 30 10 IJEE CC(C)c1ccccc1-n1c(SCC(=O)NC2(C#N)CCCC2)nc2ccccc2c1=O 36822371 IJGGUPPRMKUYSS-UHFFFAOYSA-N 446.576 4.554 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)COc3cc(C)ccc3C(C)C)c(C)c(C#N)c2=O)cc1 38624385 FAIBROCXMJNOOE-UHFFFAOYSA-N 444.531 4.784 30 10 IJEE CN(C)C(=O)COc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 107877297 KBZALXBMCMJPHZ-JOCHJYFZSA-N 447.922 4.715 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 111921235 UGHJXHWETGGXQG-VFJWVMJUSA-N 445.446 4.629 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 169953523 XSXICPNEZRKUSD-RUZDIDTESA-N 426.516 4.855 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1OC(C)C 169976428 HBUCNOZKJHVQID-QHCPKHFHSA-N 449.503 4.835 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccncc2)cc1 170020150 UZIQOWGSNWDFSN-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2c[nH]c3ccccc23)c1 170074859 RDZYFKWVARNKKS-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccco2)s1 170096231 KASXSHRKGAVNJL-FQEVSTJZSA-N 447.516 4.655 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)c1 170122351 SPLFSDKGLCGHOD-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170186446 MNZXBBZPQLJUTM-OAQYLSRUSA-N 446.846 4.970 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccncc1 170212013 JSZCSDJSULHXOH-SFHVURJKSA-N 447.318 4.918 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)c1 170281896 ZKPBDRADIZTESL-FQEVSTJZSA-N 425.387 4.739 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1sccc1C 170312804 VCHYRPVWBPSDFW-LJQANCHMSA-N 443.565 4.587 30 10 IJEE CC(C)COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccn2)c1 170419860 PBVXFOFRQAKAOF-XMMPIXPASA-N 442.515 4.895 30 10 IJEE N#CCCCCSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226844583 AGUUZUKVPTVQRY-JOCHJYFZSA-N 438.549 4.795 30 10 IJEE C=C(Br)COc1c(Br)cc(Br)cc1CNC1CC1 385666791 YMNQRWMWJQWWAE-UHFFFAOYSA-N 439.973 4.751 30 10 IJEE C=CCOc1ccc(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)cc1OC 438641497 MCNBIQKZAPBNKW-KRWDZBQOSA-N 432.314 4.618 30 10 IJEE CCCc1c(NC(=O)NC2(c3noc(C)n3)CCCCCC2)cnn1-c1cccc(C#N)c1 439691506 NIGXOWPWZUVDDL-UHFFFAOYSA-N 447.543 4.759 30 10 IJEE N#CC1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 442985653 XLEDCZMCQMUCCA-UHFFFAOYSA-N 426.904 4.920 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nc2ccc(C)cc2[nH]1 466772881 AAKIQDXRWBHBNH-UHFFFAOYSA-N 431.309 4.671 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 508463599 HZKFZMNFYYHMLX-HXUWFJFHSA-N 439.585 4.509 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 523580567 VRKRPUCKEJHVKW-JOCHJYFZSA-N 439.943 4.562 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(OC)c(O)c(OC)c1 526811216 FHVOTBPOWJQLQS-CFRMEGHHSA-N 440.569 4.745 30 10 IJEE N#Cc1cccc(CC(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)c1 531384945 WLPANKZRRURGDB-UHFFFAOYSA-N 435.886 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F 567481506 YQPVFVMSWCHODJ-WDSOQIARSA-N 447.929 4.546 30 10 IJEE Cc1cccnc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243510 GQZUBSZLMYWXHB-UHFFFAOYSA-N 432.332 4.964 30 10 IJEE CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1 609252804 SUINYVPMMYOADA-UHFFFAOYSA-N 436.874 4.949 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 609356358 VVUBWJGPRXCZFZ-LJQANCHMSA-N 429.448 4.512 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 670196301 HFSUMXRPVYTSLI-KNQAVFIVSA-N 449.603 4.661 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@]1(C#N)CCc2cc(Br)ccc2C1 698461568 ZHABYTFEVZZOGG-GHTZIAJQSA-N 435.362 4.616 30 10 IJEE N#Cc1ccc(CNCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(Cl)c1 705691294 ZBHWZPZWICVAEH-UHFFFAOYSA-N 431.967 4.773 30 10 IJEE CC(=NNc1ncnc2c1c(Br)nn2C)c1ccc(-c2ccccc2)s1 726738899 KMVSTGRNMVDCAJ-UHFFFAOYSA-N 427.331 4.690 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1ccc(F)cc1C#N 728615589 WOIOTXWKUQMIKT-IBGZPJMESA-N 437.298 4.892 30 10 IJEE Cc1ccc(-c2noc(CN(Cc3ccc(C#N)cc3)c3ccc4nc(O)[nH]c4c3)n2)cc1 744406596 LYLKHWKVSUPWGQ-UHFFFAOYSA-N 436.475 4.705 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 790284338 ZMMKAEDHFFJJNU-HXUWFJFHSA-N 436.512 4.624 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc3n(C(C)C)c4ccccc4n23)CC1 854405952 FRDJTVLSPMHLIU-BNGSBABLSA-N 438.601 4.676 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1cccc(F)c1 1084644847 DFMPUMVIBPTJRU-OAHLLOKOSA-N 426.300 4.723 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1124622729 KFMQTPBGRCNELI-RUZDIDTESA-N 427.589 4.591 30 10 IJEE C=CCCn1cc(C(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)nn1 1124630108 YHUQIWLOBGBVSF-UHFFFAOYSA-N 426.524 4.884 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 1125155267 DBWIJKGJFLGYSP-UHFFFAOYSA-N 434.561 4.531 30 10 IJEE CC(C)(CC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)NC(=O)OCc1ccccc1 1125460256 GQSYTGOVBFLIBG-UHFFFAOYSA-N 444.491 4.779 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cnc(Br)cc2C)s1 1126469498 BQDGJKMOFHFODM-UHFFFAOYSA-N 432.796 4.943 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1cc(C)c(Cl)cc1I 1127599423 REHLMIGJVVKNFE-UHFFFAOYSA-N 429.685 4.717 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1129603340 SWNMDXAYVUEXQU-INIZCTEOSA-N 427.482 4.754 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2)c1ccc(Br)cc1 1129609371 SWGMHZITOROITG-FQEVSTJZSA-N 434.337 4.536 30 10 IJEE CC(C)c1c(C(=O)N2CCCN(c3ccccc3C#N)CC2)cnn1-c1ccccc1Cl 1136603572 CUTXFXYYJDTRBY-UHFFFAOYSA-N 447.970 4.873 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(CCOC)c2ccccc12 1141986774 NSLGLQMZTVJHJJ-UHFFFAOYSA-N 429.314 4.867 30 10 IJEE C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 1162147293 IBTGYYPAERABAE-FUHWJXTLSA-N 438.499 4.930 30 10 IJEE C#CCSc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CCCC3 1165794300 FFVGOHYOVTZEIT-UHFFFAOYSA-N 431.380 4.814 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 1169002836 CWFHPBGODTYQQR-HIFRSBDPSA-N 433.499 4.944 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccc(F)cc1OC(F)F 1188856988 FDTDOLXJWBDKTD-MRVPVSSYSA-N 431.329 4.625 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c1 1192556931 JMLZHFRFOZGYHD-VPUSJEBWSA-N 437.543 4.767 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2c(Br)cccc12 1264988197 CGHQASJPXLTKPI-UHFFFAOYSA-N 436.353 4.678 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1286315303 WFGPPDYQUDLISP-AQNXPRMDSA-N 431.625 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(F)c1 1286584081 WQTFGVWKBMWKIP-FQEVSTJZSA-N 443.567 4.940 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC(C)CC1 1286593362 LPTRZNYPESJRLD-GPJFCIFZSA-N 431.625 4.984 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@](C)(O)CC)CC1 1286654109 DXVHTTLRCWYCLS-RUZDIDTESA-N 436.556 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(C)CCCOC)CC1 1286654434 FETBULJOHCPZTD-UHFFFAOYSA-N 439.648 4.613 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286675191 NDQOZJDTBXQEFW-FGZHOGPDSA-N 437.632 4.749 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)C1CC1 1286708711 RZUYQSIOGNSTNU-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCn2cc(C)nc21 1286728660 DSHYAHOBNMGCAG-OAQYLSRUSA-N 448.615 4.994 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2csc(C3CCCCC3)n2)n1 1292627636 RECIRNSTUIPJPI-UHFFFAOYSA-N 446.627 4.557 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(C)cc1OCC(F)(F)F 1294643172 LRNJGAIUUAFZNA-UHFFFAOYSA-N 445.441 4.617 30 10 IJEE C=CCC[C@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1C)c1ccccc1 1297968062 MBJQDAOSSGPYMM-RXVVDRJESA-N 430.386 4.775 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1300277076 WJGVPMPHQMIXFT-OUCADQQQSA-N 444.299 4.787 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCN(C(C)C)C(C)C 1300602915 LLAKNIFKBRMBNN-UHFFFAOYSA-N 446.437 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CCCC1 1300898110 WHKIEUWIVPQDCV-CVDCTZTESA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncc(CC)s1 1300974075 CCJPMDWJEZNMGX-UHFFFAOYSA-N 431.993 4.847 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)CC1 1300979523 BUKFBZANOLXHHG-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cn(CCCCC)nc2C)CC1 1301072485 JAYRZXFKXYAFDD-UHFFFAOYSA-N 449.559 4.753 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1301091978 QOERGOXDGQRHNB-FGZHOGPDSA-N 438.616 4.996 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2sc(C)nc2C)CC1 1301096137 YSNHAKUFAXLIOU-UHFFFAOYSA-N 429.977 4.789 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1301133863 BMWKUDITKAEJNI-LJQANCHMSA-N 426.458 4.838 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@H](C)C[C@@H](C)C1 1301270538 IUQXXQWLMSMZMA-WOJBJXKFSA-N 432.616 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1Cc1ccc(C)nc1 1301406751 VVXDWKZIBKAVEA-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1301444549 MOOGLXMRUNUHRJ-KRWDZBQOSA-N 447.986 4.837 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 1310270053 PTFBZKHRRBTHST-UHFFFAOYSA-N 428.420 4.710 30 10 IJEE CCOC(=O)C1(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 1310367439 HAGZUEVIODKEKF-UHFFFAOYSA-N 447.413 4.834 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)N1CCCC1 1314739406 CBQCXGDCSRTGTO-OAQYLSRUSA-N 448.640 4.982 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)ccn1 1316412769 BMNXXRAXZHGIDL-MRXNPFEDSA-N 430.537 4.772 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(Cc3cccs3)n(CCc3ccccc3)c2=S)C1 1320153943 OOIWTYSZIFITLQ-FQEVSTJZSA-N 440.638 4.543 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC 1357166249 OBNHUOATKZVMAC-LFYBBSHMSA-N 427.460 4.971 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)Cc1ccc(Br)cc1 1358210761 AASQICIUZGEPRB-UHFFFAOYSA-N 429.358 4.565 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccnc(C(F)(F)F)c1 1358873060 CJXJPAHZGOIQCP-KRWDZBQOSA-N 439.485 4.668 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cn(CCCCC)nc1C 1358873437 JEDKCNFYHKAEPZ-OAQYLSRUSA-N 444.627 4.949 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@H](C1CCCCC1)N(C)C 1359072769 QAQUHEGFJLDJSP-SHQCIBLASA-N 433.644 4.566 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(F)(F)F 1359080123 GUVBGGKYQFXYGQ-UHFFFAOYSA-N 440.267 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C1CC1)N(C)C 1359109367 YIVCFJJPBXMYDP-FQEVSTJZSA-N 446.437 4.759 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cnc(C)s2)CC1 1359175413 KOSAFRFIQXDZOX-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccs2)CC1 1359185150 MLTWIJPBYNDJQO-UHFFFAOYSA-N 443.020 4.984 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1359217425 ZEIOUXTYKUCLCF-IBGZPJMESA-N 433.394 4.783 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359220298 UOYKIDKIQYPCSU-PBHICJAKSA-N 444.885 4.633 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1359222432 IMZODXWJPOWING-WZONZLPQSA-N 443.979 4.794 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCc1nc(C)no1 1359231268 RSOPXEJXBBIIFT-MRXNPFEDSA-N 444.967 4.635 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC(C)(C)C1 1359274200 FUMITSBGPXJPJZ-IBGZPJMESA-N 429.609 4.965 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(F)(F)C2)C1 1359316434 OMTNQTOQUWOUTB-HOCLYGCPSA-N 440.897 4.954 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)COc1ccc(F)c(Cl)c1 1360643925 HGNOOHRLFLBADK-UHFFFAOYSA-N 430.676 4.974 30 10 IJEE C=CCN(C(=O)/C=C/c1ccsc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1435900345 OBNYPBXMBKKZMT-DOJUMQAQSA-N 437.483 4.969 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C1CCC1 1441413666 BZYLDIIGEBDKCN-JOCHJYFZSA-N 435.524 4.769 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1461033694 RPQVQJBHWXOKOV-DRMXPCRNSA-N 430.976 4.885 30 10 IJEE C#CC[C@]1(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1464476849 NAUWAMOFLMLHNX-UFHPHHKVSA-N 444.575 4.954 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 1466785984 ZONXPJWAULRIAE-UHFFFAOYSA-N 435.494 4.952 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(Cc2ncc(C(=O)OC)s2)CC1)c1ccccc1 1469469263 QWXYDAJAVOKERZ-IBGZPJMESA-N 427.570 4.601 30 10 IJEE C=CCC1(NC(=O)NCCc2ccc(OCCN3C[C@@H](C)[C@@H](C)C3)cc2)CCCCC1 1469602774 WJJAUNJDGWZWOW-SZPZYZBQSA-N 427.633 4.774 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1470664883 AOZLCVSEWXKNQO-BTYIYWSLSA-N 434.342 4.895 30 10 IJEE C=CC[C@H](Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 1472805027 VMNIOGAKBSXHBO-HXUWFJFHSA-N 443.569 4.759 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 1472929432 VMHBWXKBINUYJK-QGZVFWFLSA-N 446.981 4.793 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@@H](C)CC(C)C)nc2sc3c(c2c1=O)CCCC3 1472931655 VMHRHHLUIKRGAN-HNNXBMFYSA-N 433.643 4.508 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)cc21 1477135359 WKFIAVSYPJGVKM-IBGZPJMESA-N 429.565 4.625 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1c[nH]nc1C 1507530316 UKPPENDSHVYHQR-INIZCTEOSA-N 448.571 4.935 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1507556492 IYTHUQAVQRZAPG-CYFREDJKSA-N 442.991 4.882 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCSC 1507607338 RGKKBZWDKHLNRA-UHFFFAOYSA-N 427.799 4.574 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[C@@H]1CCOC1 1507664798 VOXFYARQBFTDPE-LJQANCHMSA-N 448.567 4.702 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS[C@H](C)C1 1507746612 DQURYBADCDRWSO-LJQANCHMSA-N 444.670 4.678 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOCC 1507777562 ITYLYJVEMLZCJI-UHFFFAOYSA-N 439.423 4.657 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1507829416 WWIHWHJFFNIYBJ-RTWAWAEBSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCSC2(CCCCC2)C1 1507846622 RMXRMJBRXWLBOF-UHFFFAOYSA-N 444.620 4.857 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1507870363 IZSGZYURZQEIAN-IBGZPJMESA-N 428.005 4.965 30 10 IJEE C=CC1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC[C@H](OC)C(F)(F)F)CC1 1507905484 AYADVNBDOUQNPV-IBGZPJMESA-N 433.478 4.796 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCC[C@H]2C)CC1 1507909434 FOAKXSZJJSMABE-HOYKHHGWSA-N 442.629 4.533 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1507915544 CKECDMBDWIBQAB-PKTZIBPZSA-N 438.616 4.960 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1F 1507979629 SJOTUIJEEGWLEP-IBGZPJMESA-N 443.567 4.511 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1508010265 PCQHFITVAYPQMK-RBUKOAKNSA-N 429.609 4.760 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H](C)c1nccs1 1509999422 GNAUTPCFKCBGRV-FFZOFVMBSA-N 436.585 4.642 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)C1 1513564637 ASEVVLIECZUVBB-RUZDIDTESA-N 437.588 4.562 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C)s2)o1 1514367449 DDZBDELLCADXME-UHFFFAOYSA-N 447.568 4.515 30 10 IJEE CCOC1CC(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)C1 1516360797 IDAKMRHYGTVZGJ-UHFFFAOYSA-N 427.980 4.934 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(-c4ccc(Cl)cc4)cc3F)CC2=O)cc1 1517544022 HTPISIKZBJAYCW-FQEVSTJZSA-N 447.897 4.687 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C(C)C)cc2C1=O 1520118237 WUCNQZNUMJMKNN-LJQANCHMSA-N 430.426 4.615 30 10 IJEE C#CCOc1cccc(OC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)c1 1521019284 KZAKAEILXMZMHZ-UHFFFAOYSA-N 438.483 4.838 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCc2ncncc2C1)c1ccc(C)c(C)c1 1523054740 SLFYGDNHYINASP-OAQYLSRUSA-N 427.548 4.997 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1523438103 BPRKKRDVSSWKOF-HOYKHHGWSA-N 448.007 4.771 30 10 IJEE C=CCCCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1525068911 AMPLUTDHWZHIDS-UHFFFAOYSA-N 432.446 4.517 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OC)cc2Br)CCCN1C(=O)OC(C)(C)C 1526471492 UNWRDUKPUAGGNQ-FQEVSTJZSA-N 439.350 4.742 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)cc1 1527031813 DNJQBNFHOZMAPD-LSDHHAIUSA-N 430.595 4.670 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cc1OC 1527800910 JPXZUECNCCIGAU-ALCCZGGFSA-N 446.906 4.541 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@]2(C)CC2(C)C)c1 1533637714 HUZAPIFRKPYODH-QFIPXVFZSA-N 432.973 4.640 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 1537254031 ARJGZQZPRGHVDZ-HXUWFJFHSA-N 436.886 4.840 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@H]1CCCc2ccccc21 1538600140 RKRVYLUDXQKGLY-URXFXBBRSA-N 434.967 4.732 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@H]1CCCCO1 1539028972 FNBOOOBJZQKVEY-IFMALSPDSA-N 438.616 4.962 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1539052700 RKTYBSQEXJKHSG-NQIIRXRSSA-N 428.367 4.640 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@H](C)C1 1539160971 HBNWTVKEANQIFX-SFHVURJKSA-N 437.588 4.614 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1539581058 WBILVIKYAFQGBG-KKXDTOCCSA-N 446.349 4.777 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1539595089 ADWGBHJSSTVMDT-QFBILLFUSA-N 449.393 4.504 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CCC(C)C 1539622415 FVPLNLATDGSXKN-FPOVZHCZSA-N 442.995 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cc(C)no1 1539654857 GJGLQMBEAFUQOV-UHFFFAOYSA-N 430.350 4.763 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1539694991 RVSDGVYHVIKPAU-UHFFFAOYSA-N 431.968 4.668 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2cccs2)CC1 1539955392 VSWSCGPBSUKZSF-UHFFFAOYSA-N 437.613 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCN(CC)C1 1540158851 SEDRIBPJHOMTOC-GOSISDBHSA-N 444.421 4.536 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540911620 XBBQATTZJPFTSJ-HOTGVXAUSA-N 438.016 4.576 30 10 IJEE C#CCCN(CCOC)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1540929958 PSHDJHLAGKRVQZ-UHFFFAOYSA-N 437.337 4.776 30 10 IJEE Cc1n[nH]cc1CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N 1542053499 DYZFNQAMUMEFFT-JKSUJKDBSA-N 437.617 4.534 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)o1 1542299906 GPPLJDLETRNJLC-PGRDOPGGSA-N 433.556 4.950 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cc(Br)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1544784566 YSEJEBLUVGYBFC-IBGZPJMESA-N 442.737 4.801 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc23)c1 1557621364 DCSZEEMNBIRZRI-SANMLTNESA-N 448.588 4.542 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)cc1 1562197427 LRJAKDJAYWIYHY-FQEVSTJZSA-N 433.549 4.541 30 10 IJEE CC(=O)c1ccc(Br)c(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c1 1563205444 PUHOJVFVWKFRCE-MRXNPFEDSA-N 440.219 4.948 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1564998128 VCWCHPADDQOTMK-HXUWFJFHSA-N 433.980 4.835 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1568505482 UMPOJWKNWMZFHS-GOEBONIOSA-N 442.478 4.788 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 1568889277 AUGYBISMDZIZSU-UHFFFAOYSA-N 427.504 4.843 30 10 IJEE N#Cc1ccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1 1587233159 CWZVZHDXQBJHPQ-UHFFFAOYSA-N 425.319 4.512 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OC(C)C)cc1 1587937711 SHSCEKQCKXAYDT-UHFFFAOYSA-N 445.386 4.674 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCn1cccn1 1588186370 WVQRGRVSQQMMMA-UHFFFAOYSA-N 448.983 4.563 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCCO1 1589185791 KOUZSQFIKQFJRE-JYFHCDHNSA-N 436.600 4.931 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C)(COC)CC1 1589514160 DJUGJTAHPUGSPO-GHTZIAJQSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1589545665 OLZUEWZADJCQLZ-LSQMVHIFSA-N 438.616 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1589547334 UGAAYAZKDVTBIW-HYIZYFCHSA-N 432.971 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CCCCn1ccnc1C 1589625443 GBLDAYLSWYQHHV-UHFFFAOYSA-N 429.572 4.881 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1589636638 BKMKTKZOCHNOIV-RBBKRZOGSA-N 436.629 4.887 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCSC1 1589694180 BHLKOIQVIWELLL-QRVBRYPASA-N 449.665 4.594 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)CCC 1593914093 AKBCYMWOPPEDAO-CQSZACIVSA-N 427.774 4.997 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1593931880 BIHAHLGQAAADGI-QAPCUYQASA-N 439.412 4.982 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 1594626774 OWCULLALLKZAIO-QPPBQGQZSA-N 426.561 4.542 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)CC1 1594793853 UBLQOSGZXMYWKT-UHFFFAOYSA-N 428.886 4.970 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC(C)CC1 1594858314 YHNUCHWKXZWBRE-RBUKOAKNSA-N 432.012 4.814 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1595434791 SITHROIKKPAMTE-FQEVSTJZSA-N 433.556 4.528 30 10 IJEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1cccs1 1595890014 GHGBMUWMBDPFFU-QGZVFWFLSA-N 438.626 4.695 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)C(=O)OCC 1596777693 JCZCVUYBXIEFJL-CQSZACIVSA-N 446.878 4.941 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1608584082 AUVBYUZACCUGAC-OAHLLOKOSA-N 428.558 4.580 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)C1 1611767010 FSPQHQXGWYIKQL-NRFANRHFSA-N 426.446 4.537 30 10 IJEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(Nc3c(F)cccc3F)C[C@H]1C)C2=O 1614472976 YFKTYKJHPJIPJJ-ZQJOYCHOSA-N 449.837 4.554 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 1615332207 JPLLQVKSRPPGKL-GOSISDBHSA-N 444.560 4.887 30 10 IJEE CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)CCOCC1 1620218577 BLJYICCFJJDPNO-UHFFFAOYSA-N 446.020 4.641 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1 1622724202 DWABEKIOVMAHLB-UHFFFAOYSA-N 429.314 4.624 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3[C@@H](O)c3ccccc3)cn2)cc1 1622864455 FEKKIPQZENWZEB-VWNXMTODSA-N 428.492 4.866 30 10 IJEE Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1623089682 CFQDNRLQMXZPPB-UHFFFAOYSA-N 426.489 4.755 30 10 IJEE C#CCN(C)CCCNC(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 1623740403 PQFPCIHSBCLDPV-UHFFFAOYSA-N 428.945 4.819 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 1624625075 WFLNTJDKOJYYRI-DQYPLSBCSA-N 430.763 4.860 30 10 IJEE Cc1ccc(C#N)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 1625213023 DBPBHIAKYXWIJA-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)cc(C)c1OC)C1CCN(C(=O)OC(C)(C)C)CC1 1626375610 FJGZVBVYNHWFTH-UHFFFAOYSA-N 435.952 4.524 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2ccccc2O)[nH]n1 1626554507 YBNBRYVXLDPQMO-UHFFFAOYSA-N 430.277 4.512 30 10 IJEE C=C[C@@](C)(O)CC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1629814919 LKYZDUQIQBUVDD-UYAOXDASSA-N 440.740 4.969 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1 1633529518 UWFUJUYQZJSDEJ-UHFFFAOYSA-N 444.381 4.661 30 10 IJEE C#CCN(C(=O)c1csc(C2CCCCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818821 VYPXEYKAJUIFPK-UHFFFAOYSA-N 431.602 4.666 30 10 IJEE C=CCC(C)(C)CNC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1637524600 BXRCZSRPMSZQNO-OAHLLOKOSA-N 428.495 4.648 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 1639805736 QYBRWYDEMCCSJS-PKTZIBPZSA-N 443.632 4.748 30 10 IJEE C=CCn1c(SCC(=O)OCc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640556316 SITAPQLJUMUYCB-OAHLLOKOSA-N 440.590 4.604 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 1642218852 FHKQAKSGUXXTCI-VQTJNVASSA-N 436.625 4.845 30 10 IJEE CCc1ccc2c(c1)CCN2CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1648581487 IDWKTDXSPSZKOH-UHFFFAOYSA-N 428.536 4.538 30 10 IJEE C=CCN(Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H](Cc1ccccc1)C(=O)OCC 1653296098 HCKBCMGEQWCQNG-SANMLTNESA-N 429.564 4.523 30 10 IJEE C=CC[C@H]1N(CC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)CCCC1(C)C 1653460028 QGWRAGBSFYTGIL-XMMPIXPASA-N 436.596 4.976 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCC(O)CC3)cc2)cc1OC 1656835995 IQXBXYWJFBSWSY-UHFFFAOYSA-N 447.373 4.596 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC2(Cc3cccc(Cl)c3)CC2)n1 1660157228 ABBKZORPJAEOMD-UHFFFAOYSA-N 426.307 4.948 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(OC)c(Br)cc1Cl)C(C)C 1663575472 IZALWMJFPWUAIG-KRWDZBQOSA-N 444.801 4.931 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1665390847 ISIJKADEYKXYNK-PMACEKPBSA-N 441.597 4.573 30 10 IJEE C=CCC[C@H](NC(=O)N1CC(=O)NC[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 1670826336 CUXGLFQHBNYHKV-VQTJNVASSA-N 431.458 4.595 30 10 IJEE NC(=O)Nc1cc(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F 1671610453 HMZHDHOSJPUZBU-ZDUSSCGKSA-N 438.303 4.760 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CC1 1672455659 IXAKCGGTTWYDLA-UHFFFAOYSA-N 427.570 4.770 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C(C)C 1675964750 UVGQEDAYJFZJIQ-RUZDIDTESA-N 440.676 4.951 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 1677061149 IEHWRKWNTTXAIA-HXUWFJFHSA-N 444.373 4.747 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1 1678087357 DZKGJDCSTPSJLI-NRFANRHFSA-N 435.524 4.702 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCCN2CCSC[C@@H]12)c1ccc(C(F)(F)F)cc1 1679306434 XQKWCYFVAZDGON-OTWHNJEPSA-N 427.536 4.592 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1679780016 ODVGUQONAHJQKL-VSDWSMLSSA-N 444.572 4.753 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)[C@H](OC)c3ccc(Br)cc3)cc21 1680802406 PIPTXPQTMMIEJU-XOBRGWDASA-N 443.345 4.883 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)C1 1682286279 NGOVSBBQAHCEAC-LPHOPBHVSA-N 429.914 4.710 30 10 IJEE C#C[C@H](NC(=O)N(CCc1ccccc1)Cc1ccncc1)c1ccc(Br)cc1 1683680225 AGGWILRVVVWDTO-QHCPKHFHSA-N 448.364 4.973 30 10 IJEE C=C(CC)CNC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 1686779619 DNMVAUNNNJDOJX-HXUWFJFHSA-N 431.536 4.926 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(OC)CCC(C)CC1 1689829367 XSLZMDCSJIFRLZ-AAXCNWCCSA-N 428.552 4.610 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCC(F)(F)CC2)C1 1689933152 BZEDSECFVXKUOH-UHFFFAOYSA-N 434.481 4.966 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1C1CCCCC1 1690040623 JENWGXRPBMLRPO-XMMPIXPASA-N 429.612 4.514 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CC[C@H]1C2 1690184846 OXLPXZDNBNSMMK-HOCLYGCPSA-N 437.396 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690200047 JBORWFGNFGOIAD-UNIVCBNLSA-N 436.600 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ncccc1C 1690213022 ZEIKDVPVCAEGOD-HHHXNRCGSA-N 443.595 4.898 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1 1690252315 CDBJPRIJKNNDPR-WWEVIYMKSA-N 447.539 4.500 30 10 IJEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1690351182 KLVIZWLURXJATM-INIZCTEOSA-N 445.976 4.519 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690369608 QVBBREFXZBHCMQ-OALUTQOASA-N 440.588 4.712 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1690500424 VFKXMSGXAOICNH-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCO1 1690558132 FRJAPUHVJBPLPX-NRFANRHFSA-N 448.958 4.627 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCCN1CCCCC1 1690586723 UAOTVTRPSFCGRO-UHFFFAOYSA-N 444.421 4.762 30 10 IJEE C=CCOc1ccccc1Cn1c(N(CCOC)[C@H]2CC[C@@H](C)C2)nnc1C(C)(C)C 1690684269 CECIOPSZHVYFSC-CTNGQTDRSA-N 426.605 4.830 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(Cl)c2C)C1 1690692434 XYXAXEDKWSAUST-SFHVURJKSA-N 444.366 4.785 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)OC 1693974168 HNGIZLYOXRLAAJ-JPYJTQIMSA-N 434.588 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705477146 JQBWGTLWFNBLAG-TYPHKJRUSA-N 439.604 4.581 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2cccn2)CC1 1705511875 IRFHBQFOWSOWDA-UHFFFAOYSA-N 440.954 4.654 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1705524435 LTNGKJYXGQUPGP-PGRDOPGGSA-N 442.991 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1ccsc1)N(C)C 1705605870 DWYFMDCFBQYNSQ-QHCPKHFHSA-N 444.608 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](c3nc(C)cs3)C2)nnc1C(C)(C)C 1705707882 UEQRIJXWIXDBAD-QYZOEREBSA-N 429.634 4.706 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C)CC1 1705708775 HCQZEEATWCTYLW-YYDVJCTNSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCC1CCOCC1 1705712667 CAEQDRMIUZPAAD-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1705785165 YHZTZJYLPLFPFU-ZJSXRUAMSA-N 428.552 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1705792811 BWSIYSXLEDFQIH-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1705794794 UDKXHJVTNAYQIX-JOCHJYFZSA-N 449.599 4.584 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cccs1 1705805073 YCWBONUJZISGFY-UHFFFAOYSA-N 448.596 4.729 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC1(C)C 1705842547 PYRXLKOXTDRIQF-MOPGFXCFSA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1705848754 QJUBZGKWKSIBKC-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1Cc1ccc(OC)nc1 1705856704 BWZRICYXIJAMMI-UHFFFAOYSA-N 433.556 4.589 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(O)CCC 1705871708 URWLYWFOWCLODZ-HXUWFJFHSA-N 437.357 4.576 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CCC)CCC2)C1 1705915771 GNZBDLIPJLEWKW-QGZVFWFLSA-N 448.409 4.787 30 10 IJEE CC(C)(O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC#N)CC1 1706198137 FJTIJPMBDWKZSK-UHFFFAOYSA-N 427.618 4.567 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCC#N)CCC(C)C 1707022492 AXDLHXYAEDNNBZ-UHFFFAOYSA-N 437.569 4.858 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(CCCCCC2)C1 1722312122 VEBADKSPXNHQCG-UHFFFAOYSA-N 427.980 4.727 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1722403938 JTUNMOYZUPBYBT-FQEVSTJZSA-N 425.964 4.734 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(C)C)CC1 1722453655 BBXXGRSXEJSWDE-UHFFFAOYSA-N 447.446 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(CC)Cc1ccccc1C 1722510161 QGFLVMZJGXTISI-DHLKQENFSA-N 431.584 4.580 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1722597863 TUTYMAMIBTZWAH-UHFFFAOYSA-N 435.616 4.705 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722604620 GRSMQSOESJFVIU-UHFFFAOYSA-N 430.666 4.564 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1722626305 BMVATDVWEGEYGJ-IBGZPJMESA-N 429.634 4.931 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1724009903 GRMASKAMGRDSBG-LQBOVUBWSA-N 446.521 4.763 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C)nc1 1740532568 INJPXCVAGDMXCC-MOPGFXCFSA-N 437.975 4.898 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(C)C1CCCCC1 1740542174 PTBATVMLBBWEDW-GOSISDBHSA-N 444.023 4.720 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(C)ccc1F 1740583534 RBXGRPJICBLQOA-UHFFFAOYSA-N 444.352 4.543 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCCCC1 1740590300 KWRUVHHEOUVKOG-IBGZPJMESA-N 429.609 4.575 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1740591809 WUOTWTKRAMXWEK-UXHICEINSA-N 449.382 4.818 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1740662845 XZDVBFJEZKXXLR-DEOSSOPVSA-N 442.611 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cscc1C 1740722831 FSZVEMAYOFFNJO-XMMPIXPASA-N 433.581 4.558 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N(Cc1cccc(OC)c1)C[C@H]1CCCO1 1740735977 CVOCDZVYGRKXGH-LJQANCHMSA-N 449.393 4.504 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CC=CCC1 1740782508 SKVYKXJMMLUCBT-IBGZPJMESA-N 429.609 4.761 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCOC(C)(C)C)CC1 1740821931 VTYVIJXCKLZLGF-UHFFFAOYSA-N 428.577 4.714 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1740855541 JEXVCRQQCYRLCI-QFIPXVFZSA-N 448.615 4.534 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740871131 RKFYBRSJAFXEBH-IRXDYDNUSA-N 448.409 4.645 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCSC1 1740882775 XSMVDZVUCNDAIS-HNNXBMFYSA-N 427.401 4.786 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740883707 CTGBNISGHXKGRK-HUUCEWRRSA-N 439.423 4.844 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(CC)s1 1740939731 GBFKFOLLJXENIJ-UHFFFAOYSA-N 433.581 4.804 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2nnc(C(C)(C)C)s2)cc1 1744339364 HVLJXTHPFXIMOE-DEOSSOPVSA-N 449.628 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(C)OCCc2sccc21 1748643380 VHIXDWCUGYIBRE-NNPDTBDGSA-N 434.609 4.828 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(C)C)C1 1748760113 SZUGOSVGRNPCDT-SFHVURJKSA-N 445.405 4.905 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC=C(C)CC1 1749140976 WDUGMCRGWPYCBU-AUSIDOKSSA-N 440.613 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cc(C(C)(C)C)no1 1749148967 MOOVFVDPUIDQEF-UHFFFAOYSA-N 439.560 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1(C)CC1 1749154656 YPVXDKDEVNMUGW-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cccnc2OC)CC1 1749312576 OAQPTRVBESSTKF-UHFFFAOYSA-N 447.583 4.897 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1749755225 XFJQUXSUQIGPHA-SFTDATJTSA-N 431.694 4.946 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1Cc1nc(C(C)(C)C)cs1 1750068659 BDBXIMAGBGQUAB-CQSZACIVSA-N 428.993 4.997 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCS1 1760223663 YGYGJHVHOSTVGJ-QGZVFWFLSA-N 449.407 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1(C)C 1760340643 IIQSSYRLKQYBLL-IBGZPJMESA-N 425.602 4.663 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCC2CC2)CC1 1760354019 LZIQXYZRBXMQOB-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1760406159 UYPQAWUUZDQSKV-ICSRJNTNSA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1760409869 LAVZEAWJNSPHHV-JOCHJYFZSA-N 447.583 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1760410230 XJBVHURYPRJGAT-UHFFFAOYSA-N 437.544 4.736 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(F)cn1 1760419443 SAYLKSJMAPRHCE-JOCHJYFZSA-N 437.519 4.556 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760446690 ZXCJHAJSWJFNBU-HSZRJFAPSA-N 432.996 4.833 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCCCC1 1760454879 FWWAJHNLRMBXRF-UHFFFAOYSA-N 432.616 4.851 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1Cc1c(CC)noc1C 1760484851 MFSWNVBZWINTEL-UHFFFAOYSA-N 446.530 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1cc(F)ccc1OC 1760487564 YDPMGICKQGXBLG-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1CC(F)C1 1760532174 MXKKKUYZPLTPRN-UHFFFAOYSA-N 441.938 4.791 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1760561335 XMJIFISQKOCZDU-QGZVFWFLSA-N 430.618 4.754 30 10 IJEE CC[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1NC(=O)OC(C)(C)C 1763489064 HEHAHBBQOGSFCH-DLBZAZTESA-N 426.565 4.783 30 10 IJEE CCCCN(C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1765737709 GAMMXCOGLIGGLX-GOSISDBHSA-N 428.650 4.746 30 10 IJEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1ccc(Cl)s1 1766277969 AZWCYIOMHMXWKZ-UHFFFAOYSA-N 439.972 4.743 30 10 IJEE COc1ccc(Br)cc1Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C 1768417080 BHHSXZHEWGXBOI-NRFANRHFSA-N 446.393 4.525 30 10 IJEE N#Cc1cccc(C(=O)N2CCOc3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)ccc32)c1 1858472259 IHMIOGADQRMQBP-UHFFFAOYSA-N 441.531 4.752 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)NCc1cccc(C(F)(F)F)c1 1860733086 QTZBJVMTGCSXFI-FNORWQNLSA-N 430.195 4.506 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862559653 UBWIRSNROGVAMK-JFJYTDJESA-N 434.536 4.825 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 1862740440 DDYWCMXWFFNKSS-IBGZPJMESA-N 428.872 4.873 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(C)cc3)C2=O)cc1 1863211514 VBEPCHXFCKZXPU-UHFFFAOYSA-N 437.499 4.658 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccco1 1864455051 DWCCMXNPCKRFPS-OAQYLSRUSA-N 442.604 4.917 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccccn1 1864560553 BDYLMMNWGONYNE-OAQYLSRUSA-N 439.604 4.558 30 10 IJEE CC[C@@H](C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866957546 URYODFMRILALII-UXHICEINSA-N 429.973 4.582 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870845018 ZIJUDQCQZZFXOS-UHFFFAOYSA-N 432.948 4.720 30 10 IJEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870949389 YGUNLWIXJQXYAE-UHFFFAOYSA-N 439.600 4.581 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871386808 NWKDUHMDWZQXGW-FMCGGJTJSA-N 430.412 4.649 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871456608 NJWAIHDFXSOIDO-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872041462 UYYGEIIXBVUCDA-GAJHUEQPSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1872138515 XNNHSQHEJCHSJL-QFIPXVFZSA-N 440.952 4.897 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)ccc1O 1874495081 TYGYHIQZAALNRS-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE CCc1ccccc1NC(=O)CSc1nncn1/N=C/c1c(Cl)cccc1Cl 1874536206 ROAAYDZDAWBDSY-AUEPDCJTSA-N 434.352 4.760 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2[C@H]2CCCO2)c1OCc1cccc(Cl)c1 1874560368 UMLCHLSMGCXIFJ-BYWZACNXSA-N 444.944 4.542 30 10 IJEE COc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C)ccc2OC)c1 1874704567 VJIQEUZLHJFFKT-OUKQBFOZSA-N 432.472 4.893 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1ccc(F)c(F)c1 1875162321 HSSFWFKTVICBGU-SXQCNTSWSA-N 437.236 4.708 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C#N)cc1 1891057790 RHFDNQXPEIMDAU-UXHICEINSA-N 448.375 4.897 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@H]4CCCC[C@@H]4CS3)COC2)cc1 1912011705 ORRZZOWNVBPAQC-RPWUZVMVSA-N 435.637 4.709 30 10 IJEE C=CCN(CC(=O)Nc1cc(Br)cc(Br)c1)C(=O)OC(C)(C)C 1985083842 DTPGHROLIUEOSW-UHFFFAOYSA-N 448.155 4.573 30 10 IJEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1O 2079952302 GMNBQCPBLKKBCH-QGZVFWFLSA-N 436.350 4.855 30 10 IJEE C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@@H](C)CN1C(=O)OC(C)(C)C 2118201651 SOXKSIKANAPSIC-OLZOCXBDSA-N 426.330 4.542 30 10 IJEE C=CCC1(Nc2ncc([N+](=O)[O-])cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2162326516 BXDRBQBUJQNUJT-UHFFFAOYSA-N 441.326 4.510 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)c(C#N)cc1F 2174768735 VDOVJVFHKNXEFK-YOWGUQMCSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(c3ccc(C#N)cc3Br)C2)C1 2174813245 UATKSYHQXVCACG-INIZCTEOSA-N 434.378 4.794 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)C1(C)C 2181106185 SPQKUBGPSKLEMI-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE CC1(C)C[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2181106364 VMVQXPRMHPTNGS-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)CC1 2181108762 WQWNYXVTQACGOW-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](N)C#Cc1ccc(Cl)cc1 2212501709 RYTUZMYLBNJODF-VXKWHMMOSA-N 428.960 4.519 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C)NCC 2213057560 ZMRDWIYDAPXEIE-VXKWHMMOSA-N 432.605 4.542 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](Nc1cc(Br)cc(F)c1C#N)C2 2234581733 FYWPEPJWPNTHPQ-DCGLDWPTSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](N)(C#Cc2ccccc2Br)C[C@H]1C1CCC1 2235717004 AHZSHQRRDZRLFP-SIKLNZKXSA-N 433.390 4.698 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 2235745852 GLYBKFFJURHDQC-WSTZPKSXSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Nc1cc(Br)c(C#N)cc1F)C2 2241100912 XMGNOVJBKDBNGW-BHADISHBSA-N 438.341 4.954 30 10 IJEE CCN[C@H](C#Cc1cccnc1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2295835067 IUCMPTKFROORJM-LJQANCHMSA-N 430.346 4.893 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296223942 FPPBZPWXEXVNDO-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(CN(C)C(=O)OC(C)(C)C)o1 2296299882 AEDNZKPUUVMBJK-SFHVURJKSA-N 433.346 4.721 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C 2296301723 YFYHQAIGLAJNRE-XNFNUYLZSA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@H](N)C#Cc3ccc(Br)cc3)(CC1)CC2 2296305236 QUUIBRGSJDBVTL-OSFYOIPJSA-N 433.390 4.746 30 10 IJEE C=C(C)COc1c(Br)cc(C=C2N=C(c3ccc(F)cc3)OC2=O)cc1OC 2297100840 WIPJLCRTDSPICK-UHFFFAOYSA-N 446.272 4.896 30 10 IJEE C=C(C)COc1ccc(C=C[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC 2297472717 FTQXATWVZGELIV-MHZLTWQESA-N 432.564 4.986 30 10 IJEE Cc1cc(CSC[C@H]2CCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2320592054 IBKVAONNLGXZSU-LJQANCHMSA-N 447.450 4.927 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2322904407 DYGSMJAIPXNPID-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(OC)c2)cc1 2323936965 TTYLSMRJLCLPPK-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1)c1ccccc1 2324080603 KWEZGAXDWFGTJT-SFHVURJKSA-N 429.472 4.568 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3OC(=Cc3ccco3)C4=O)CC2)c1C 2324183339 TXOYJSULNVIYTM-UHFFFAOYSA-N 444.531 4.849 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325731621 QKRNKYMSKYWARV-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3cc(OC)ccc3OC)ccc2OC)c1 2325743704 ILGUNBBNWXINLM-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747717 VJXOSANJVJCXFE-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(O)c1 2325966878 CCQRSLZZEXIOMP-UHFFFAOYSA-N 431.359 4.721 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccn2)cc1 2328336748 UXPKQUMLRKOTDN-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE CCC(=CC(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(OC)cc1 2329552813 QWXYJSNCFYRPHQ-AREMUKBSSA-N 439.515 4.856 30 10 IJEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1F 2330147811 VWTQINCAXKFFSX-OAHLLOKOSA-N 444.507 4.636 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2330767490 XAFHHPFISUZUII-UHFFFAOYSA-N 441.988 4.866 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1C 2330858173 DGVPGUMRVNLUSP-UHFFFAOYSA-N 444.549 4.966 30 10 IJEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331030757 NDPWILNWTMJRIL-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)cc1 2331362373 CDRBXBBRCMXKID-UHFFFAOYSA-N 437.569 4.587 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cc(C)ccc2O)cc1 2331684509 KGJMGDZGXSOOMT-UHFFFAOYSA-N 437.569 4.591 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1N=Cc1ccccc1OC(C)C 2331706802 DTZZORUAFLYXBO-UHFFFAOYSA-N 445.633 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CC=C[C@@]1(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339602345 IVWVTITWGHGHET-ZOBSEURRSA-N 442.365 4.671 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362716187 BHAGPGMDVQCAEX-VQTJNVASSA-N 435.406 4.667 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 38705782 UCECJGQYWZXVCH-VWLOTQADSA-N 447.535 4.928 30 10 IJEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 40219860 NKLIVVQRWAZHKQ-UHFFFAOYSA-N 446.595 4.883 30 10 IJEE O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N/N=C\c2cccnc2)N1Cc1ccco1 47137835 ZDTQVSVONHYWQY-FMFMVMFUSA-N 438.896 4.540 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1 71941212 FEZCXPRUEDLABN-UHFFFAOYSA-N 444.510 4.825 30 10 IJEE COc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1cccc(Cl)c1 169936621 GJSJHLLMTHLSNF-NRFANRHFSA-N 430.957 4.652 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1cccc(C)c1 169966700 VMTPNENJPVMZKK-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)s1 170081661 CSELQPXGJMOACL-SFHVURJKSA-N 440.908 4.902 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)c1 170121573 CBUNYVVMLMNPGS-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170150146 GPAUOHMLFCKFJI-QHCPKHFHSA-N 448.563 4.801 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccc(OC(C)C)c1 170153243 SHCURLLHUWWREX-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)ccc1Cl 170162677 QWHJHBGRNNKAAU-LJQANCHMSA-N 440.908 4.584 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccs1 170164546 AHMRZDLUJNBSDW-OAQYLSRUSA-N 440.609 4.884 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccn1 170170237 CHVDQISKBMUGOJ-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 170174714 CNRWPDUFDSEXIQ-JOCHJYFZSA-N 426.428 4.619 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C)o2)c1 170299919 COTOYGLLTUSYBW-QHCPKHFHSA-N 445.471 4.759 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(C)o2)cc1 170304186 LBQGWVRVWAQAGX-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(=O)OC)cc2)cc1 170391982 CMJYPVITPYZMQY-NRFANRHFSA-N 447.512 4.880 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccc(OC)cc2)c1 170419684 RQZDLGQZFLGQSQ-XMMPIXPASA-N 443.499 4.872 30 10 IJEE COCCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=Nc1ccccc1 252616877 KHQQAOOBRYIXIM-QGJBXVFPSA-N 448.500 4.895 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1ccc2ccccc2c1 253569761 MTIAGCBFDHOBSB-UHFFFAOYSA-N 444.560 4.701 30 10 IJEE N#C[C@@H](CNc1ccc(Br)c(I)c1)c1ccccc1 311612472 FRQGQXQPVVDNCB-LBPRGKRZSA-N 427.083 4.773 30 10 IJEE C=CCn1c(SCc2noc(-c3ccccc3O)n2)nnc1-c1cccc(Cl)c1 436733918 ZNVFYPLSGPVLDQ-UHFFFAOYSA-N 425.901 4.832 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)N[C@@]3(C#N)CCc4ccccc4C3)c2C)cc1Cl 472258070 JUABVVFVEMSYPT-VWLOTQADSA-N 432.955 4.561 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 477292556 NQIKIXOUSHTZGS-IAGOWNOFSA-N 427.344 4.875 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 477573242 NNEHSVDPRPGTDZ-LJQANCHMSA-N 436.487 4.530 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCCC(=O)Nc1cccc(F)c1C 480400101 FHIYXJGLCWZIGN-UHFFFAOYSA-N 440.544 4.920 30 10 IJEE Oc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1O 526803597 CBWWUCCGELYNRX-QFEZKATASA-N 434.496 4.594 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)C[S@](=O)Cc3ccc(Cl)c(Cl)c3)c2C#N)C1 526858243 KZVQRHCEBHNXOX-YBOJIHHZSA-N 441.405 4.939 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 555255494 GWOWVKXUDZYIOJ-FDDCHVKYSA-N 434.540 4.505 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 582754045 CQDAUXYNEUAIAS-GOSISDBHSA-N 448.411 4.680 30 10 IJEE C=C(C)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(OC)ccc1OC 586248796 WTDRIMRCXDHYJN-UHFFFAOYSA-N 440.359 4.546 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 608873098 QPUYUZUAWDGGPP-JOCHJYFZSA-N 439.943 4.880 30 10 IJEE N#C[C@@H](C(=O)CCCc1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 762018920 KKJBVIDIHUFUMB-HNNXBMFYSA-N 427.476 4.753 30 10 IJEE N#Cc1ccsc1N1CC[C@@H](OC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)C1=O 764056142 LLYGKNKTAIJQPL-AAWPKVBNSA-N 440.830 4.568 30 10 IJEE C=CCN(C(=O)CN1CCOCC[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 775566888 RGHXQSRDHZLDPO-CQSZACIVSA-N 440.396 4.747 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CCCN1C(=O)OC(C)(C)C 790264126 IFMLVLPXOYLXMN-SSOJOUAXSA-N 441.572 4.558 30 10 IJEE CCN(CCc1ccccn1)C(=Nc1ccc(Cl)cc1Cl)N[C@H]1CCCC[C@@H]1N 1088664573 GEOQLPDNTVFHPO-FPOVZHCZSA-N 434.415 4.800 30 10 IJEE COc1ccccc1C/N=C(/NC[C@H]1CCCO1)Nc1cc(-c2ccccc2)ccc1O 1088684368 RKFUUTGTQWLMQE-JOCHJYFZSA-N 431.536 4.805 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])cc(C)c1F 1125672310 HPYNYWYQUUVZNZ-UHFFFAOYSA-N 425.229 4.772 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)c1 1125779019 DIRKBKHISCXZIU-UHFFFAOYSA-N 436.511 4.911 30 10 IJEE C#CCN(C(=O)c1ccc2nc(C)ccc2c1)[C@H]1CCOc2ccc(Br)cc21 1126230359 VZJPHNLDXTUAKV-NRFANRHFSA-N 435.321 4.905 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2cccc(F)c2)cn1)[C@@H](Cc1ccccc1)C(=O)OCC 1128110557 BPVSNDVHYJXEJA-DEOSSOPVSA-N 448.494 4.816 30 10 IJEE C#CC[C@@]1(C(=O)OCc2ccc(C)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1128171243 HOHIZXAWENVAIF-NRFANRHFSA-N 436.346 4.594 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]21)c1ccc(Br)cc1 1129610099 DXFCAIHBHRCWFJ-FCGDIQPGSA-N 445.154 4.588 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc2cc(OC)ccc2n1Cc1ccccc1 1132074485 OWQLWLVGEZVVAV-UHFFFAOYSA-N 443.503 4.919 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1OC 1134820875 MVXGYSUMYXUABX-ALFGCTEOSA-N 446.591 4.690 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@H](OC)C1 1138248298 AZHANVDVDCDHHP-WYEJZRMESA-N 448.563 4.544 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Sc1ncccn1 1144709281 OUJDPVZOABAXRG-QGZVFWFLSA-N 428.558 4.816 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccc(F)cc3F)CC[C@H]2C)cc1OC 1178884747 HDBABIIJJVHFAH-WGLAMXGCSA-N 442.506 4.679 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)Cc1cn(-c2ccc(Br)cc2)nc1C(C)C 1182765325 SXQLWEKGPKWDPY-UHFFFAOYSA-N 446.389 4.535 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccc(CC)cc2)C(C)C)cc1 1198244550 PVWJWUKEFGLAFP-JOCHJYFZSA-N 429.586 4.574 30 10 IJEE CCN1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C[C@@H]1C 1201257176 CULRVUUMGRQGAZ-HNNXBMFYSA-N 432.446 4.927 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)c2ccccc2Cl)c(C)c1 1210140764 GAULZIUWDCPVGK-JOCHJYFZSA-N 444.915 4.736 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 1264455338 DXRCROJXJSTKRY-UHFFFAOYSA-N 437.341 4.867 30 10 IJEE CN(CCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccncc1 1264530205 BPBMNGDIVSOIPQ-QFIPXVFZSA-N 446.938 4.881 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(F)c(F)cc1I 1264764714 SAVSPOCSTDZTBX-UHFFFAOYSA-N 431.195 4.537 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H]2CSc3ccc(Br)cc32)c(OC)c1 1271275142 SUBRLZLLYTXZEA-MRXNPFEDSA-N 434.355 4.528 30 10 IJEE CCOC(=O)C(F)(F)[C@H](NC(=O)c1cc(F)c(C(F)(F)F)cc1F)c1ccccc1 1273550389 GIEDNKMWEFPOIH-OAHLLOKOSA-N 437.311 4.653 30 10 IJEE C#C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(Br)cc1 1275462394 CQKNRLWBKZHDEK-QFIPXVFZSA-N 434.333 4.909 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCCC)CC1 1286473028 NUCPRIDITZUXIO-UHFFFAOYSA-N 428.005 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nccn1C(F)F 1286572889 CFIOHHHZRJROGW-UHFFFAOYSA-N 439.470 4.642 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1286659706 WEKNTPQPDAZTMC-PMACEKPBSA-N 431.625 4.553 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1286665104 RYUWKNYFXGRHRO-UHFFFAOYSA-N 435.616 4.601 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@@H](F)C1 1286682046 BIVHIPGAFQYSEC-DYVFJYSZSA-N 425.321 4.997 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2CCCO2)CC1 1286684561 KZAIKEDGCAQKEG-QFIPXVFZSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286686005 ZVPPCAFBULADRE-GOSISDBHSA-N 442.514 4.630 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC[C@H]1CCO[C@@H](C)C1 1286761320 WTBGNGAUXPGDGS-GMAHTHKFSA-N 431.584 4.780 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4ccccc4C)c3C(F)(F)F)cc21 1289389844 AEBPLXFUJOOWSX-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCSC1)OC 1291941234 DYGAAXAHHKOAGL-LEWJYISDSA-N 427.618 4.600 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CSc1nccn1-c1cc(C)cc(C)c1 1297724682 RMZAUDHJZKIXHE-UHFFFAOYSA-N 437.613 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(SC)CCOCC1 1300283193 SIWPIXGFWGIAEU-GOSISDBHSA-N 426.630 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCOCCC(C)C 1300284130 PQEDMSSCCJAFRL-QGZVFWFLSA-N 433.394 4.618 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCC(C)CC1 1300284612 SUYVRLAYKPXLQI-FQEVSTJZSA-N 439.673 4.855 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cc(C)cs1 1300756180 HTYZNHZMJJJFGH-UHFFFAOYSA-N 449.605 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N1CCC[C@H](C)C1 1300790296 NASYRKAPGPIVSN-HOOSLVGPSA-N 443.998 4.850 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCN1CC 1300790536 SDKBILVIHSOXBJ-HTAPYJJXSA-N 432.399 4.728 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1300829409 BVUMXBIFDKANKB-RYUDHWBXSA-N 440.183 4.708 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301142193 XRSBWGQEXXCWQX-VWLOTQADSA-N 440.588 4.918 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301146183 VFDWEWXSTYCOLM-UHFFFAOYSA-N 435.620 4.616 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301178896 UOHAVTZJRQRYAZ-ROUUACIJSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301207690 DOIWVYMYSJFNCR-HXUWFJFHSA-N 425.577 4.577 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1sccc1C 1301294532 RIAXWSGAZLEVDP-GOSISDBHSA-N 445.633 4.627 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)c1nc(C)cs1)C1CC1 1301331553 OXGZMAYUKKYUEO-HNNXBMFYSA-N 427.549 4.720 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H](C)CN1CCCCC1 1301359762 ORLQZRNEYIDMRD-FQEVSTJZSA-N 436.629 4.716 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)CN1CCCC1 1301371316 BHNOCWAANGFYEI-SFHVURJKSA-N 444.421 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CC1(OC)CCC(C)CC1 1301404018 OOHADUPJKSNURK-UHFFFAOYSA-N 430.543 4.921 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C1CC(C(C)(C)C)C1 1301416373 FRYOWEXLLDOBHG-UHFFFAOYSA-N 428.577 4.598 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1301420985 MTQZAAYPUDVHAT-OALUTQOASA-N 433.478 4.749 30 10 IJEE C=C(CC(C)C)C(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1303966841 KFYWWOUFJBPDBH-UXHICEINSA-N 428.573 4.745 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1CC(=O)Nc1sccc1C#N 1307608903 HXWFMQIPUSUWMA-SFHVURJKSA-N 436.503 4.568 30 10 IJEE COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1ccc(C#N)c(Br)c1)C2 1310712316 BOYFWOVNLMUYDX-UHFFFAOYSA-N 430.302 4.534 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C)cc(CNC(=O)OC(C)(C)C)c1 1310908972 SXDGWCZFVJVBCZ-UHFFFAOYSA-N 443.544 4.715 30 10 IJEE C#CCN(C(=O)NCCc1ccc(Br)cc1F)[C@@H]1CCCc2ccccc21 1311929917 HEADAAWUAJAENX-OAQYLSRUSA-N 429.333 4.853 30 10 IJEE CN(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1)c1ccco1 1314646889 GADCOTSBBYUGJJ-AUSIDOKSSA-N 438.963 4.624 30 10 IJEE C=CCN(C(=O)[C@@H]1CCN(C(C)C)C[C@@H]1c1cnn(C)c1)c1nc(-c2ccccc2)cs1 1352764475 STPFLAPBYZFRQE-FGZHOGPDSA-N 449.624 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1353723075 CVUCYWFZOFPEMV-QGZVFWFLSA-N 439.487 4.619 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccccc3C)c2C(F)F)cc(OC)c1OC 1356304720 LQWKARKMKSBSFD-UHFFFAOYSA-N 441.478 4.794 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1358908101 LWHTYZZJBNOXSO-FQEVSTJZSA-N 449.002 4.508 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1 1358917298 MVGNSCXKNJPEEU-SFHVURJKSA-N 433.021 4.890 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@@H](C)C1 1358939514 XYWXPZVGRWJSQH-GBESFXJTSA-N 430.980 4.573 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc2c(n1)CCCC2 1359000907 HBIWYWVOFBXFKN-OAQYLSRUSA-N 443.595 4.817 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC[C@H]1CC 1359021463 PPFRHFWEXIJJOG-QZTJIDSGSA-N 430.980 4.519 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)N2CCC(C)CC2)CC1 1359180157 UPHRDZQTTXDKTJ-LJQANCHMSA-N 443.586 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1359190142 GPHUFAGJMCDBAL-NRFANRHFSA-N 426.580 4.863 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1359195587 OYVMFSWBONPWAW-HSZRJFAPSA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359197992 FIVQLTHCGIRNIA-QGZVFWFLSA-N 448.409 4.645 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCSC[C@H]1C 1359209918 DCSAPPRJPGPYEN-CQSZACIVSA-N 437.407 4.624 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1nc(C)no1 1359268260 JWJWHRCHXYFALP-UHFFFAOYSA-N 433.343 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1C 1359270367 MPDFARNNXJCKJO-PMACEKPBSA-N 446.599 4.851 30 10 IJEE Cc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](F)(C#N)C2)s1 1361266670 COVLCSZXZIQWJB-WZONZLPQSA-N 439.560 4.895 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2nc(CCC)n(-c3ccccc3F)n2)c1 1435005550 SFYFWVGPJRDFLV-UHFFFAOYSA-N 428.467 4.780 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 1435179725 PTITVEDWUSGUQU-UHFFFAOYSA-N 430.451 4.695 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)c1ccc(F)c(F)c1 1435951006 LIDVIISDZQTCRR-RZTXVSJASA-N 440.490 4.747 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 1436641300 IQQMTSVGOKOJFZ-UHFFFAOYSA-N 443.200 4.776 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 1445027975 INZPHKYWZBRVMF-UHFFFAOYSA-N 433.270 4.540 30 10 IJEE C#CCOc1ccc(COC(=O)COc2ccc3cc(Br)ccc3c2)cc1 1458822162 FBCFRTXPNHKXDN-UHFFFAOYSA-N 425.278 4.737 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)c1ccc(F)c(F)c1 1459180771 FYRSMZZLQIGZGK-QZTJIDSGSA-N 426.916 4.868 30 10 IJEE CC(C)[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccc(Cl)cc1 1462770377 BTKCIILLSGTMKR-QGZVFWFLSA-N 445.741 4.789 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCCn2c3ccccc3c3ccccc32)c(C(F)(F)F)c1 1463385683 AELPUVZTXAPHPY-UHFFFAOYSA-N 443.450 4.663 30 10 IJEE C=CC1(CC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CN(C(=O)OC(C)(C)C)C1 1465729872 ZLVZGJIYAKBRNA-UHFFFAOYSA-N 441.572 4.957 30 10 IJEE CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1466800691 FHFGCHQXWXLCIQ-SFHVURJKSA-N 447.560 4.868 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC3(CCCC3)C2)c1 1467323058 HPOZTCIDEPKZGK-UHFFFAOYSA-N 444.984 4.738 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1scc(Br)c1Br 1467934003 VWONKCPUANUTIS-UHFFFAOYSA-N 449.164 4.577 30 10 IJEE Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)COc1ccc(Br)c(C#N)c1 1473096116 HOOZDFQMIQEPDZ-UHFFFAOYSA-N 443.385 4.973 30 10 IJEE CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1474985054 GWKIYEBLJZIRPM-BFUOFWGJSA-N 434.970 4.789 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCCN(Cc4ccc(F)cc4Cl)C3)cc2n1 1477121033 ALKWHNQSJMVRJY-HXUWFJFHSA-N 441.938 4.801 30 10 IJEE CCC(C)(C)c1ccc(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 1478265603 FHDYOHXYUGNFEV-UHFFFAOYSA-N 432.568 4.806 30 10 IJEE CN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1478476030 HBPAJMXEXDZNCS-XMJKJUTBSA-N 448.567 4.531 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1507572698 TYWFUGRWPYVTBE-OAQYLSRUSA-N 431.540 4.804 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N[C@@H](C)[C@H](OC)c1ccccc1Cl 1507589946 SYCQTAYWYKUNDJ-BTYIYWSLSA-N 444.004 4.889 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1ncc(CC)s1 1507794918 JNVRSSCJAKSUNJ-HRAATJIYSA-N 441.576 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1507807270 PIYWFMMCLXGSQM-AVRDEDQJSA-N 442.947 4.721 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1507827630 YQBWCCNPPRTJQY-INIZCTEOSA-N 441.929 4.885 30 10 IJEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N(Cc1cccs1)Cc1cccs1 1507865421 CBWVVDCZEVJMHB-UHFFFAOYSA-N 428.974 4.817 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC[C@@H]2CCCCO2)CC1 1507881558 ODSPIELHVPAYHP-SFTDATJTSA-N 440.588 4.932 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)CN2CCCC2)CC1 1507908969 MIGMDWXTJKHHJU-LJQANCHMSA-N 444.023 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1507917501 QERHOZWVSXRUOO-QFIPXVFZSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC(C)(C)C1 1507934768 JHNBZMPGLBUQMY-HXUWFJFHSA-N 426.561 4.541 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1507943810 MECOMRQAPXBFHA-ATIYNZHBSA-N 437.632 4.629 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C)CCCC1 1508018689 XTULMRBYAFRICO-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1508105650 PFQBQSZYIMAIAP-UHFFFAOYSA-N 434.384 4.521 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(C)cc2C)C1 1508113909 BJNPUIGVYXATHG-NRFANRHFSA-N 437.975 4.634 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)C1 1508166993 DXQNKYVLMQRTHR-UHFFFAOYSA-N 439.050 4.758 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C 1508169018 WSRHZBFKLDEKHF-KRWDZBQOSA-N 437.654 4.752 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)CCO1 1509974099 GWCZQXXQBJSSDR-PGRDOPGGSA-N 435.597 4.618 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 1519455224 GVZDAGLJKKAQQI-FQEVSTJZSA-N 439.434 4.741 30 10 IJEE C=CCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1 1521901661 LTBWVTPFALLMRM-UHFFFAOYSA-N 428.554 4.867 30 10 IJEE COc1nc(C)c(Br)cc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1522764413 AECDHBARULVFNR-UHFFFAOYSA-N 442.338 4.691 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)cc1C)c1ccc(Br)cc1 1525054875 UBCIZCJXVUEVGG-QGZVFWFLSA-N 428.717 4.701 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)c(OC)c1 1528668931 IBOSKKKKEJMNII-UHFFFAOYSA-N 429.476 4.887 30 10 IJEE C=CCC1(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CCCC1 1532544217 WTCCRGIWHKXHRY-OAQYLSRUSA-N 425.573 4.856 30 10 IJEE C#CCC1(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCCC1 1538314480 OELVAQQGYTWJGA-UHFFFAOYSA-N 437.462 4.672 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)cc2n1 1538315899 ULCFMZDFUPYPGA-UHFFFAOYSA-N 429.377 4.818 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 1538379347 BGPAIYPESKSNCA-UHFFFAOYSA-N 434.467 4.565 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1539109276 NCWNOEGXUJYFHO-VWNXMTODSA-N 436.600 4.789 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1539172063 SSKUBOFBCOUDGU-IAGOWNOFSA-N 429.446 4.963 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1Cc1cscc1C(F)(F)F 1539246764 XCVWRXNOLPZTCG-UHFFFAOYSA-N 440.450 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1ccsc1)N(C)C 1539566276 FJGUKEGHFHECSI-WIOPSUGQSA-N 449.624 4.522 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1539735278 IGRYDJFEJWVAGU-RBUKOAKNSA-N 428.577 4.570 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)O 1539945526 PDXBWBNTJRGNQK-UHFFFAOYSA-N 435.410 4.970 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCOC[C@@H](C2CCC2)C1 1540020216 IBRKMVYZIWRAPV-FQEVSTJZSA-N 442.629 4.798 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540134548 UNRBIDRXOCUOTF-ACDBMABISA-N 435.547 4.875 30 10 IJEE C=CC1(CC(=O)Nc2ccc3nc(N4CCCC4)sc3c2)CN(C(=O)OC(C)(C)C)C1 1540526756 PHZMLMWZHVFBOT-UHFFFAOYSA-N 442.585 4.648 30 10 IJEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)n1 1542656363 ARSNNMLMTRIPHE-JOCHJYFZSA-N 444.583 4.547 30 10 IJEE C=CC1(CC(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1544794084 LXAVKXNVDPEBJM-UHFFFAOYSA-N 432.517 4.752 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1546125479 FQKLESNALHHDOB-ZWKOTPCHSA-N 429.540 4.502 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)C1 1558269551 HKXIXHBLMPNOPG-CLOONOSVSA-N 443.547 4.622 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)cc2)nnc1-c1cccc(OC)c1 1559381309 NGGUAQUMGRGBOT-GOSISDBHSA-N 429.929 4.800 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 1561155789 CJBGHRZLJQJFMF-UHFFFAOYSA-N 438.524 4.828 30 10 IJEE C#CCOc1cccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c1 1561231946 YCINLTNCBOHSSO-UHFFFAOYSA-N 436.110 4.536 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1ccccc1 1564396678 OGNWFFPCIOXXEY-NRFANRHFSA-N 429.923 4.654 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1565063566 PKZQIRSKXOERTJ-RDJZCZTQSA-N 440.466 4.580 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cn1 1568455905 VYBAPESTYQHBCH-LJQANCHMSA-N 438.528 4.522 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 1584170345 OZPIDRBJWASIDC-MRXNPFEDSA-N 427.426 4.843 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 1587234865 YKEZCUYQOHOEJD-NOXFTYBFSA-N 426.582 4.591 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(CCOC)CCCC1 1587603486 LVSGUBDUFQXKNR-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](C)C1 1587807779 IQVDQXSFADBLAX-OTWHNJEPSA-N 430.980 4.715 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCO[C@H]1CCCC[C@@H]1C 1587946389 ZKRLUCBGKVKMOV-KXBFYZLASA-N 449.368 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1588205001 ALICAAZJRUNNBE-XZOQPEGZSA-N 448.611 4.648 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@](C)(O)C2CC2)CC1 1594122237 MOPHTTRRNNXEQO-DEOSSOPVSA-N 445.007 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1594229721 TURFQYXGUSYOGZ-UHFFFAOYSA-N 447.583 4.897 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cc(C)cs1 1595334522 AGIZHVIFZVTKRG-UHFFFAOYSA-N 433.375 4.909 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(C)s2)C1 1595680176 HQHFANKNSLGUTI-ZWKOTPCHSA-N 442.560 4.757 30 10 IJEE C=C[C@@H](C)NC(=O)c1csc(-c2cccc(S(=O)(=O)NC3CCCCCCC3)c2)n1 1595937567 HTOHFABVTATJHI-MRXNPFEDSA-N 447.626 4.506 30 10 IJEE C#Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 1597402671 IQORDLPYHHYPCJ-WIOPSUGQSA-N 428.557 4.839 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1597769634 MXDDXPHUSPWASH-UHFFFAOYSA-N 438.549 4.568 30 10 IJEE C=CCn1c(SCCOC2CCOCC2)nc2scc(-c3cccs3)c2c1=O 1613186759 LGTASASQEJVBSH-UHFFFAOYSA-N 434.608 4.660 30 10 IJEE CCc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OC(C)C)CC2)s1 1613802466 GGVWMWIBDNISPT-UHFFFAOYSA-N 435.597 4.883 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 1616488083 LBOFLPASJKIKPO-PBHICJAKSA-N 436.936 4.963 30 10 IJEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H]2C)ccn1 1617463090 HNVKAICFLNSCBF-QZTJIDSGSA-N 448.596 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 1618172415 AGRFNJZBPDDHQW-KUHUBIRLSA-N 433.371 4.706 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2cc(Br)ccc2Br)cc1F 1622756954 BJUUVVKUSXWGTA-UHFFFAOYSA-N 427.071 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 1622836405 ZHYQBCBJMQYXRP-YOEHRIQHSA-N 441.475 4.735 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(Cl)cc1I 1623202574 IATLHWOUJFLNIR-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C=CCC1(C(=O)N2CCN(CCCc3nc(-c4ccc(C)cc4)no3)CC2)CCCCC1 1624321766 ISTQMLHFLQKPDY-UHFFFAOYSA-N 436.600 4.648 30 10 IJEE C=CC(C)(C)CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1627453226 WVBFBOQXEMXUET-UHFFFAOYSA-N 427.353 4.736 30 10 IJEE C#C[C@H]1CCCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1631298665 NOHQFKQYELJMJX-FQEVSTJZSA-N 430.548 4.567 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21)C(C)C 1635870022 SSGXQTKZNSVEBB-RDPSFJRHSA-N 443.547 4.618 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](C)CC(=O)c3cccc(Br)c3)cc2n1 1639087265 MIVZVYMPOUXKEM-CQSZACIVSA-N 426.314 4.832 30 10 IJEE C=CCn1c(SCCCOc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CCCC3 1640693322 TUEIJEQHGYPDTP-UHFFFAOYSA-N 437.590 4.956 30 10 IJEE C=CCn1c(SCC2CCN(C(=O)OCc3ccccc3)CC2)nnc1-c1ccccn1 1643767005 AGVPQZQCOJDPGW-UHFFFAOYSA-N 449.580 4.667 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H]1CCC[C@@H](C(F)(F)F)O1 1651886428 CGWFKTSENLBPIB-SJORKVTESA-N 427.492 4.944 30 10 IJEE Cc1oc(NC(=O)CN2CCCC[C@H]2Cc2cccc(Br)c2)c(C#N)c1C 1654793137 CIFBSVLALFNYDX-SFHVURJKSA-N 430.346 4.566 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cc(-c2ccccc2)n[nH]1 1655038297 APAJDSGYVCGWHA-INIZCTEOSA-N 433.581 4.738 30 10 IJEE O=S(=O)(c1cc(F)ccc1NCc1cccc(COCC(F)(F)F)c1)C(F)(F)F 1655303198 FXPXPYFWZRWMGO-UHFFFAOYSA-N 445.356 4.810 30 10 IJEE C[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1657039421 FXSPRALQOFWPOG-TZIWHRDSSA-N 437.588 4.589 30 10 IJEE CC(C)(C)OC(=O)Nc1ccsc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 1657560129 CIWILLJCFMFZLT-UHFFFAOYSA-N 426.586 4.675 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(-c3nc4ccccc4s3)o2)cc1 1657965870 PUUFCYKHLTZKBC-UHFFFAOYSA-N 439.562 4.975 30 10 IJEE CO[C@@H](C)c1nc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cs1 1661695137 BXUKOKVDPOXDAY-AWEZNQCLSA-N 438.557 4.527 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)C(C)C 1661878686 ZKBMEXOYOWSEGD-JOCHJYFZSA-N 442.604 4.757 30 10 IJEE C#CCN(C(=O)Nc1ncsc1C1CC1)[C@H]1CCOc2ccc(Br)cc21 1664449379 PUSVODKVQJSGBV-HNNXBMFYSA-N 432.343 4.774 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@]3(CO)CCc4ccccc43)cc2Cl)c1 1668730990 BSNPVFWPPCCXSM-VWLOTQADSA-N 447.922 4.746 30 10 IJEE C#CCC1(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)CCCCC1 1671761209 TUEZNCQALRBNQR-UHFFFAOYSA-N 425.175 4.760 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)c1ccc(F)c(F)c1 1671852344 WESRSIXRELYNLT-DYVFJYSZSA-N 426.389 4.590 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(Cl)cc1SCCC(=O)OC 1672360376 YPKOEGXLBPHWIT-UHFFFAOYSA-N 434.945 4.882 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 1673046118 LYBJMMBLNAYTBC-HNAYVOBHSA-N 449.979 4.990 30 10 IJEE C=CCCCCCCCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1673406426 QGSMTMHHBYIJOT-HXUWFJFHSA-N 437.625 4.618 30 10 IJEE C#CC[C@@H](NC(=O)NCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 1679190873 NKGGPQKLNYSAQC-DHIUTWEWSA-N 435.568 4.576 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1687156690 OYJHPRDCYZZSOW-KBMIEXCESA-N 443.588 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCCN1CCCC 1689861523 WNYPYLBQQOGDNS-XZOQPEGZSA-N 437.632 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1ccco1 1690256152 FNKGBEXYTFEHSM-NLFFAJNJSA-N 438.572 4.938 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1690364098 JLDFIIQODYGCDW-KBMIEXCESA-N 440.588 4.788 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CCCCC2)CC1 1690380433 OCZMQGPPQOKIML-UHFFFAOYSA-N 437.632 4.931 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(SC)cc2)CC1 1690394824 NNTGBVSEQUHVCI-UHFFFAOYSA-N 441.645 4.564 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCNC(=O)C1CCC1 1690516761 RTKLCPAGEZZEAE-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1COc2ccccc21 1690519279 DKRJSKRKIBFNGJ-CYBMUJFWSA-N 431.359 4.568 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1ccc2c(c1)OCCCO2 1690609047 AMDKLIMIIVUYRB-UHFFFAOYSA-N 436.556 4.514 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@@H](F)C1 1692820813 FVIBMBHAABTMKK-ILZDJORESA-N 429.515 4.825 30 10 IJEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1695642583 DULCMVXXFCPLBP-LJQANCHMSA-N 442.558 4.563 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCCCC1 1705520389 SCVPPNPJBRMPPI-UHFFFAOYSA-N 431.378 4.804 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)SC 1705619721 ZLRKICLZEQMCNK-OAHLLOKOSA-N 429.952 4.524 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCSC2(CCCCC2)C1 1705660728 DQGAXEAQADAHKE-UHFFFAOYSA-N 444.645 4.631 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1705712436 UBHLFUXYLLZOSN-UHFFFAOYSA-N 436.560 4.827 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1705729858 AWICHCTWVZKVFG-PWIZWCRZSA-N 430.980 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C1CCC1 1705789507 NFPHCOAXUXROGS-UHFFFAOYSA-N 434.588 4.827 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(C)CCCC1 1705881191 FQBKWHUKUJVXJA-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705892245 PFMBJLPHTRYIRB-KFKAGJAMSA-N 431.378 4.821 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCc2nc(C)c(C)s2)c1 1707118592 AVQZGCLOWBAKMI-KRWDZBQOSA-N 438.601 4.528 30 10 IJEE COC(C)(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C#N)CC1 1711483423 BHSNLSQSKLFBDK-UHFFFAOYSA-N 436.585 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(N(C)C)CCCCC1 1722283711 WKXOGBBANWRJLL-RBUKOAKNSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1722304448 XPDZPVHFFVFPGD-QZTJIDSGSA-N 432.515 4.539 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(COC)o1 1722313334 SVHFBGYXOQUKLI-NRFANRHFSA-N 434.540 4.838 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1722313530 AFHJECVIIKOSHX-PKOBYXMFSA-N 445.405 4.823 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](CCC)C1 1722315290 UMYDMXACJIKJEK-OAHLLOKOSA-N 437.407 4.578 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1722326590 RXQSMCYXOPSEAX-MRXNPFEDSA-N 442.336 4.582 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(OC)CCCC1 1722389266 GMRZNNWBLRNOHU-UHFFFAOYSA-N 436.625 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCC1CC(OC(C)(C)C)C1 1722396799 KTZRHLBKRQODLK-UHFFFAOYSA-N 432.612 4.624 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1722454332 BKRQCFAFZRCCJW-UHFFFAOYSA-N 439.673 4.530 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1nc(C(F)(F)F)cs1 1722636995 DYBZXAIFGNYTSR-UHFFFAOYSA-N 432.475 4.767 30 10 IJEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C)C1CC1 1722650619 GZVYPHRRBPEMLN-IBGZPJMESA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N(C)C 1722661971 SXZJPEDSYOOXDY-GOSISDBHSA-N 447.612 4.539 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@@H](C)C1 1722676357 ZLFXJCGYTZJQRM-HXUWFJFHSA-N 436.604 4.612 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC1CCOCC1 1722678696 VLVCDUWHVBGWLW-UHFFFAOYSA-N 426.605 4.698 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1726841981 FAKLHVPKHLCTDX-XFQAVAEZSA-N 436.025 4.617 30 10 IJEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2ccco2)C1 1730427101 GTHZGBMOKFHLKM-NRFANRHFSA-N 433.556 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC[C@H](O)C1 1740541329 XDTSIEFNGJKPHS-ZWOKBUDYSA-N 438.572 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1cc(Br)cs1 1740560642 MUIUQUJJOWKNLI-INIZCTEOSA-N 443.414 4.784 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(NC(C)C)CC1 1740579318 JOIVAVGEWZTNJB-UHFFFAOYSA-N 425.646 4.649 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCOC(C)C 1740649833 FBZLQSJMTQGPCF-HXUWFJFHSA-N 438.641 4.800 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CCC1 1740650238 TYXWOKAOJMYTLY-GOSISDBHSA-N 438.666 4.880 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1nccs1 1740712391 GYJMBYWTWURELV-UHFFFAOYSA-N 439.654 4.744 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC(Cl)=C(Cl)C1 1740789715 ITINDOOKNLQPTG-UHFFFAOYSA-N 444.366 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cccnc2OCC)CC1 1740820738 PGAAHNUNQVCFQZ-UHFFFAOYSA-N 427.911 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740849285 DRKKWWQQUVISSD-OAQYLSRUSA-N 448.615 4.597 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740970742 BVHCEPCTYZGOPP-QZTJIDSGSA-N 437.613 4.729 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1741002262 GVIFHLVIENERKR-UHFFFAOYSA-N 441.689 4.887 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(OC(C)C)nc1 1743915303 CYCSWCWBJTVMIS-UGKGYDQZSA-N 432.572 4.646 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](CC)C1 1748702350 DIDKJARTXXXZKI-GOSISDBHSA-N 433.419 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(C)s1 1748867955 PFVUJJMRNKWOKQ-FQEVSTJZSA-N 448.592 4.698 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC[C@@H](C)C1 1748913138 PZDSHKSDAQUZOA-OAQYLSRUSA-N 444.627 4.773 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCCN1CCCC[C@H]1C 1748918490 HMKSKLHCODEVID-OAQYLSRUSA-N 430.600 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 1749066724 NFMAICHNQWACKA-KPDCDPCYSA-N 428.964 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(F)(F)F)cc1C 1749067356 RCSYFISOISRHLC-DENIHFKCSA-N 432.490 4.887 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@]2(CC=CCC2)C1 1749280242 FOLBINANHSORAL-QHCPKHFHSA-N 428.964 4.945 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CCCc2nnc(C)s2)CC1 1749345448 IOXNPRQKOHVPHD-UHFFFAOYSA-N 436.629 4.649 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1cnc(C)s1 1749547352 OWNSJTPHKUUIRH-FQEVSTJZSA-N 427.549 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@@](C)(O)c1ccccc1 1749550626 FHXSJISRZDNJAH-RUZDIDTESA-N 447.608 4.836 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(=C)CC1)C(C)C 1749552949 LLXVCOKPVCZIKV-XMMPIXPASA-N 430.600 4.672 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1 1750243481 GDFIIJHGUWWBEY-INIZCTEOSA-N 439.610 4.711 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC2(CCCCCC2)C1 1760148771 LTXCZIWVQNCONX-UHFFFAOYSA-N 442.991 4.950 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1760153453 RJPXZYXKLVCCRJ-OAQYLSRUSA-N 448.615 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccs1 1760317444 GDFSBAOXYVPRKB-LPHOPBHVSA-N 429.977 4.673 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC2CCCCC2)CC1 1760347862 CDIGNSYZQSRJPL-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2ccccn2)CC1 1760397179 OAMZBJXPJYLWOK-HXUWFJFHSA-N 447.583 4.857 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1760481183 PFDMUJGFJJTGCR-FQEVSTJZSA-N 425.577 4.651 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1 1760497345 BMXHJGLYOLEHAW-AQNXPRMDSA-N 427.593 4.584 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(Cc1ccnn1C)C1CC1 1760506729 KPWGELJHNYNOPT-QGZVFWFLSA-N 440.979 4.777 30 10 IJEE O=C(O)c1ccc(N=C2S[C@@H](Cc3ccccc3)C(=O)N2CCc2ccccc2)cc1 1772728162 QIFOUFDXQGHKNU-QFIPXVFZSA-N 430.529 4.802 30 10 IJEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1ccc(C(=O)O)cc1 1772762975 RMVLEPXLOLBTOT-OYBLBNEUSA-N 443.322 4.937 30 10 IJEE CC(C)c1ccc(-c2nn(-c3ccc(OC(F)(F)F)cc3)cc2/C=N\NC(N)=S)cc1 1857807526 NFQBLNUYBJRSDB-RAWMCFOBSA-N 447.486 4.728 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861365546 NKBYOIBXAZMVTN-MRXNPFEDSA-N 447.403 4.996 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1cccc(Cl)c1 1861549325 WCTDAWMVYFUOOF-KMWGMXNCSA-N 435.008 4.572 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862384617 WJXXESRUYCRFOU-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862449557 NXIOPTHRRCYOHM-DJJJIMSYSA-N 427.884 4.503 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(=O)O)cc2)ccc1F 1862503834 GRDGOUKPXRIVCM-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2c(c1)CCCN2C 1862554218 XVDCDBHKLRKFGB-RUZDIDTESA-N 442.559 4.712 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCC2)cc1 1862605589 XZXDYCAUJUUWNY-QHCPKHFHSA-N 433.504 4.677 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2F)cc1 1862689795 ZRMVICNGZFINNT-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862745009 ZESIFEUNWNGERV-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE COc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862798585 NRDXNXWFUZGSAZ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)c(C)c2)C1=O 1862869710 CDDAUWCRTVNXND-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4cccnc34)C2=O)ccc1F 1863084497 QHMMFIPVCGGWCB-UHFFFAOYSA-N 448.457 4.951 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863270024 DTHQFYDNLVUVKJ-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccccc1F 1864066275 JXJCYHBICNWWLM-OAQYLSRUSA-N 442.579 4.912 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2cc3c(cc2[C@H]1c1ccccc1)OCO3 1868118393 ATIGZOABCLRNMY-HHHXNRCGSA-N 443.499 4.533 30 10 IJEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C)cc2)n(-c2ccc(Cl)c(Cl)c2)[nH]1 1870004774 KRSPEGBCPDWPIW-UHFFFAOYSA-N 442.350 4.735 30 10 IJEE COc1ccc(Cl)cc1C(=O)Nc1c(C#N)nnn1-c1ccc(Oc2ccccc2)cc1 1870143285 GFLBHKHBCCKHDD-UHFFFAOYSA-N 445.866 4.846 30 10 IJEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CSc2ccc(C)cc2)cc1=O 1870302613 WVGSGDOYRPSFJT-UHFFFAOYSA-N 435.545 4.549 30 10 IJEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870812504 VZVSTDMUTPKANC-UHFFFAOYSA-N 449.517 4.920 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(Cl)cc1 1870840652 FFFLJUWWLVCPEG-UHFFFAOYSA-N 432.948 4.802 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871010687 OYACPDJVYGKMLD-UHFFFAOYSA-N 443.330 4.836 30 10 IJEE N#Cc1ccc(COc2cn(C[C@H]3CCCO3)c(CNc3ccc(Cl)cc3)cc2=O)cc1 1871251868 APNZKHIKKKBJSN-HSZRJFAPSA-N 449.938 4.743 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(C[C@@H]1COc3ccccc3O1)CO2 1871353821 XTHUBSWATZQGNL-HRGKPLJHSA-N 441.483 4.603 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)COc3ccc(C)cc3)c2C)C1=O 1871370393 ZMCSQPKKYGWVDN-UCQKPKSFSA-N 430.456 4.913 30 10 IJEE Cc1c(OCCN2CCCC2)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871449575 QUTFGTCCEJICOI-ZHZULCJRSA-N 428.326 4.848 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C)cc(C)c2C1=O 1871453605 HZQGCEGPCIIUBU-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN(CC=C)c1nc(=NCC(C)C)nc(Nc2ccc(Cc3ccccc3)cc2)[nH]1 1871658881 KJHUFVXHCXNFLM-UHFFFAOYSA-N 428.584 4.874 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(C(=O)OCCC)cc2)nc(N(CC=C)CC=C)n1 1871735469 HEVSCGRWAHBECO-UHFFFAOYSA-N 448.571 4.539 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872075548 AIKNJNRXBKPTHK-FQEVSTJZSA-N 428.598 4.768 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(OC)cc2OC)c2cnn(-c3ccccc3)c2n1 1873481772 OVDQAEPMRFDYOH-UHFFFAOYSA-N 442.523 4.755 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615775 IBLXCZUIWXPHNW-UHFFFAOYSA-N 429.499 4.972 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(NCc3cccc(C)c3)ncnc21 1873617510 UHJXHRFZHCWYKD-UHFFFAOYSA-N 441.491 4.519 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc(OC)c1OC 1874324554 FZRCSNFAEGVKII-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE C(=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1)\c1ccc2c(c1)OCCO2 1874428750 ZRVHGUWQELTQEI-NLRVBDNBSA-N 442.544 4.933 30 10 IJEE COCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874501692 UQLGLDSIZLJDGE-LSHDLFTRSA-N 445.932 4.777 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCCCO)cc1OC 1874510242 IWDISRARVNPDKQ-HAVVHWLPSA-N 434.606 4.555 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C2CCC2)ccc1OCc1ccc(F)cc1 1874558647 PYCPWTJIAOKHBL-ZMOGYAJESA-N 426.517 4.833 30 10 IJEE O=C(c1c(F)c(F)cc(F)c1F)N1CCC[C@H](COc2cc(C(F)(F)F)ccn2)C1 1891855270 KHYKKCDJFLMFSS-JTQLQIEISA-N 436.327 4.588 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@@H]21 1912175316 KRGGPNONMSSLIX-VWKPWSFCSA-N 434.541 4.606 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1987482770 NVGLJABSLNLHMX-CEMLEFRQSA-N 432.681 4.734 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)ccc(Br)c1F 2102886770 KUVSIINQJOVEAK-MAUKXSAKSA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCNc2cc(Br)c(C#N)cc2F)C1 2106041673 IRDYPHOMINYJMU-JSGCOSHPSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2ccc(Br)cc2C#N)CC1 2174813291 UKVWAFYEVQHYBR-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE C[C@H]1[C@H](C(F)(F)F)N(c2ccc(Br)cc2C#N)CCN1C(=O)OC(C)(C)C 2174816812 IHKGLKGREUBKRZ-XHDPSFHLSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 2204169589 OHOKPIRIWXNIHN-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE CC(C)CNCC#Cc1sc(Br)c(Br)c1Br 2212190332 WFWWMKJJBAIKSJ-UHFFFAOYSA-N 430.003 4.633 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2235718218 CZBNDKCWRFKGIW-OALUTQOASA-N 435.406 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2262207845 VGFNNSKTMSBRBI-DHLKQENFSA-N 447.572 4.655 30 10 IJEE CC1(C)OB(c2cc(Nc3cc(Br)c(Cl)cc3F)ccc2N)OC1(C)C 2283007323 HCOQGWBEWZPPKK-UHFFFAOYSA-N 441.537 4.867 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2289741207 RFGKRDVXQAHXQQ-OALUTQOASA-N 441.385 4.806 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2296226127 BZKIQHBGDNEWMA-RBUKOAKNSA-N 433.390 4.711 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 2296252629 VCDMBBYQXKOFMV-QHCPKHFHSA-N 447.462 4.859 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2296272245 JWWBORLISXMLHJ-RBUKOAKNSA-N 435.406 4.718 30 10 IJEE CC(C)c1ccc([C@H]2C(=C(O)C=Cc3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 2296776328 LZYQBJCMYUSPSN-DEOSSOPVSA-N 445.519 4.668 30 10 IJEE C=CCN1C(=O)C(=Cc2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)SC1=S 2297357255 QVANCSIMFNFTSA-UHFFFAOYSA-N 435.530 4.985 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SC)cc1Br 2318418230 UIBXXDITDYNFFW-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)C1 2321270803 AIOFEMBDZGOJSR-YADARESESA-N 445.560 4.655 30 10 IJEE Cn1ncc(NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1=O 2322630884 JRGKVRNWCYEFOM-UHFFFAOYSA-N 437.714 4.766 30 10 IJEE CCCCCOc1ccc(C=NNc2cnn(C(C)(C)C)c(=O)c2Br)cc1 2322642083 LSSJDKVJXWTMGJ-UHFFFAOYSA-N 435.366 4.776 30 10 IJEE CCCNC(=O)COc1c(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cccc1OC 2322774890 BGPFDYPEWJGWPN-UHFFFAOYSA-N 439.552 4.802 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)ccc3C2=O)cc1 2322953307 NCJWSWULNUJUDR-UHFFFAOYSA-N 443.455 4.879 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1OC(=Cc1ccccn1)C2=O 2323283346 XGJXPULCCOQTKT-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(OC)c(OC)c1)C2=O 2325079478 DFCSPNOPWVJZFB-SFHVURJKSA-N 440.492 4.739 30 10 IJEE O=C(C=Cc1cccc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2325621842 UCSZUJCRWHHRFR-UHFFFAOYSA-N 431.447 4.836 30 10 IJEE COc1ccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SC)c(OC)c1 2325974689 IVWSHBQPELILEY-UHFFFAOYSA-N 446.960 4.564 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc2c(c1)OCCO2 2327266138 YHJMWHUIQNWIOU-UHFFFAOYSA-N 438.553 4.548 30 10 IJEE CCCCOc1ccc(C=Nn2c(COc3ccc(OC)cc3)nnc2SC)cc1 2328329106 YBKUBSTYTQKKEM-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)c1 2328641136 OCLXUNGEVPNYRF-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(C(=O)O)cc1 2328846761 INYKWYUORUBHNJ-UHFFFAOYSA-N 436.537 4.723 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2329117934 RQRDOEAXVQWXBF-UHFFFAOYSA-N 446.960 4.629 30 10 IJEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2331440921 BDCMNEHDMIYPFC-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1OC 2331449231 BSVWOYKBUBDKJV-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)COC 2331851753 MRWLVURZCLJTCR-UHFFFAOYSA-N 432.900 4.812 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OCc2ccccc2NC(=O)OC(C)(C)C)n1 2337046006 MISASMKQJDVHBE-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1ccc(Br)c(F)c1)C(=O)OC(C)(C)C 2337909929 LMTXANDFSGMFRA-GOSISDBHSA-N 427.358 4.889 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339546787 KPKFBEKJZUGALS-ZWKOTPCHSA-N 443.397 4.830 30 10 IJEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339589959 GARBXPNWCCWEKF-HHNLSAEISA-N 443.397 4.562 30 10 IJEE N#Cc1c(Br)cccc1Nc1cc(F)c(F)cc1I 2351709542 PVJOHUMWDHKSAG-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(O)C#Cc1ccccc1Br 2381060348 UCISSZJFBKKLOO-YVCBRDFCSA-N 434.374 4.635 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21 9167073 WCIJALPSVAINIL-UHFFFAOYSA-N 436.533 4.578 30 10 IJEE CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1 9624962 HPFVNXWFJAXXQN-UHFFFAOYSA-N 445.610 4.832 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cccc(OCC(C)C)c2)nc2ccccc12 12239553 MIELTCYSBMXFKN-UHFFFAOYSA-N 425.492 4.888 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13638904 OKCYGRVVMDSKKJ-OPYAIIAOSA-N 445.382 4.740 30 10 IJEE Cc1nn(C)c(C)c1CCN/C(=N\C(=O)c1cccc(F)c1)Nc1ccc(C(C)C)cc1 32973616 SNSODBXKBXJSAJ-UHFFFAOYSA-N 435.547 4.740 30 10 IJEE CCCCCCn1c(O)c(C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(C)c(C#N)c1=O 38627362 UAWPGNHTUMQUMV-UHFFFAOYSA-N 437.323 4.861 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 39840837 CGVKCEMQQUQFSR-HSZRJFAPSA-N 442.446 4.950 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1cc(Cl)ccc1Cl 59016201 ZPXCBDDGXPUWIC-CXHGCJEXSA-N 447.351 4.953 30 10 IJEE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/Nc2ccc(Br)cc2)cc1 59159720 UDYINDNWOXLHTE-HYARGMPZSA-N 445.338 4.971 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C[C@@H]3CCCO3)C4)C2=O)cc1 62977261 VNIUTLGRMKFMSJ-XIERNQRLSA-N 448.563 4.788 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccco2)[C@H]1c1cccc(Oc2ccccc2)c1 102508251 HTFOWIPLDZXGSL-RKKARLDVSA-N 433.460 4.530 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(O)cc1 169958753 OFVHJQIBBFMVBC-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(OCC(C)C)cc2)cc1 169990232 FZPHDHOIECJEPC-QHCPKHFHSA-N 437.536 4.509 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccncc2)cc1Cl 170021657 QNBNMHYPEMQCOL-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170076943 ULAVHERNPHSWTF-XMMPIXPASA-N 448.482 4.823 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(OCC)cc1 170213798 OQJKAPSVPRIYAE-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1ccc(F)cc1 170243736 PUGJEYAEPNLNRV-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 170252160 GMPRCYXVEHQKBN-HSZRJFAPSA-N 432.495 4.509 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)o2)cc1Cl 170310515 VEWJSYFPJVPIRA-FQEVSTJZSA-N 447.915 4.643 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 444996107 MVSAUJGMICPRLB-UHFFFAOYSA-N 447.457 4.757 30 10 IJEE C=CCCc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 504290006 QFEJQHXSRCSNQV-UHFFFAOYSA-N 426.563 4.849 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OCC2CCCC2)CC1 508736190 ZBVUTAAQMFXDMQ-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CCN(C(=O)c1cc(Cl)cc(F)c1Br)c1nc(C(=O)OCC)cs1 514874872 PNZSCNSRBHBDSC-UHFFFAOYSA-N 447.713 4.708 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H]2CCCO2)CC1 549517576 OPTDAZHRBDAZOG-OAQYLSRUSA-N 434.540 4.699 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCN(CC(F)F)CC1 555255117 CBLLZMXEZBBWCR-SFHVURJKSA-N 441.526 4.535 30 10 IJEE C=C(C)Cn1c(N2CC[C@]3(C2)OCc2ccccc23)nnc1C(F)(F)Oc1ccccc1 559010398 BECFAITUGSYHTK-HSZRJFAPSA-N 438.478 4.618 30 10 IJEE CC1CCN(c2ccc(N(CC#N)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 586252827 PUHFERKITUPSGI-UHFFFAOYSA-N 425.598 4.939 30 10 IJEE COc1ccc(CN[C@H](C)c2cc(Br)cc(Br)c2O)cc1C#N 756757532 BXIDYWFZIMOBNO-SNVBAGLBSA-N 440.135 4.648 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)CCCN1C(=O)OC(C)(C)C 792529546 CZJFVLRGKFBANQ-XMMPIXPASA-N 427.545 4.628 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 809893491 PEIPXABTQHBMPH-VXNXHJTFSA-N 432.568 4.578 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc(F)cc1 812955639 XVFRLFZNBCVZSR-SFHVURJKSA-N 441.260 4.667 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 926390489 FIBSEQCZSGQHBZ-VTPMOLMCSA-N 443.544 4.510 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C 1125487656 RBSJNLPPSOSMJQ-HSZRJFAPSA-N 449.526 4.887 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1126230470 YFUQNFHENLKWDR-NLWGTHIKSA-N 428.301 4.677 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(Cl)c(Br)c1 1126923815 KVZMXUQYAJKWLB-CQSZACIVSA-N 430.730 4.628 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCc1nc(C)no1)c1ccc(Br)cc1 1129731649 XROQPIZJWDXPDH-KRWDZBQOSA-N 442.338 4.537 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)c(OC)c1 1136246120 IOKGRCKMNCFRTA-SFTDATJTSA-N 436.596 4.597 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2nc1O 1147578392 KRHNYPLXMFKFMV-AZUAARDMSA-N 425.410 4.871 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)cc1OC 1148593080 CPLCLTJIOLFFQK-POZKEBTKSA-N 427.928 4.957 30 10 IJEE C#CCN(C(=O)CCSc1ccc(C)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1155359187 MFNGQPDVQAPSLI-UHFFFAOYSA-N 430.614 4.647 30 10 IJEE C#CCOCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[C@@H](C)C3 1165221640 DQTDQAFFEQISMZ-CYBMUJFWSA-N 430.982 4.925 30 10 IJEE C=CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CCCC1 1166839526 PCPWCEFDJPPNPY-UHFFFAOYSA-N 436.936 4.899 30 10 IJEE CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F 1184723775 IALTWTLEMKWZMS-UHFFFAOYSA-N 431.329 4.564 30 10 IJEE CC(C)CN(CC(=O)NCc1ccc(COc2ccccc2)cc1)c1ccc(C#N)cc1 1191837724 FKWAFNUVOMUGIH-UHFFFAOYSA-N 427.548 4.916 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(OC)ccc1Br 1200322303 FGGLOCQKYQSPQS-UHFFFAOYSA-N 439.147 4.522 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1 1204044249 FSIUPRODWMNDIN-FQEVSTJZSA-N 435.568 4.511 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)cc(OC)c1OC 1219032528 IKEHBXGITOJWBV-UHFFFAOYSA-N 442.466 4.526 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 1221200188 CWKUMLLTPASKTC-LJQANCHMSA-N 446.334 4.571 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(F)ccc1Br)c1ccc(Br)cc1 1223953029 OZDXJJVIPBCPJA-MRXNPFEDSA-N 440.110 4.524 30 10 IJEE Cc1ccc(C2(CNC(=O)NC3CCC(Oc4ncccc4C#N)CC3)CCC2)cc1C 1234607191 BAGPIOLJMXGZOL-UHFFFAOYSA-N 432.568 4.681 30 10 IJEE C#C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1F 1275497601 FSMAAUQBRPZUJW-VQTJNVASSA-N 449.751 4.869 30 10 IJEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286409774 SYLUHIXUAQCYQS-SJORKVTESA-N 425.458 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCCN1CCCC[C@@H]1C 1286418930 TWDFPBNKGLEDIZ-NRFANRHFSA-N 438.019 4.716 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC[C@H](C)N1CCCCC1 1286454131 GNYMSHAIOWABJH-FQEVSTJZSA-N 425.596 4.619 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286504721 SKCLWLMAHDMMEE-QGZVFWFLSA-N 433.021 4.749 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 1286632544 BXRGQOJOMJVPRC-UHFFFAOYSA-N 425.360 4.657 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@](C)(O)CC)CC1 1286665274 YHQKYPKMQZAJIM-DEOSSOPVSA-N 447.023 4.815 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCOC2)C1 1286685630 YCKKCSREZFJOMN-OAQYLSRUSA-N 431.378 4.681 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1286833400 BRJNZSFJYGLTOE-INIZCTEOSA-N 429.540 4.659 30 10 IJEE C=CCc1cc(C(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)cc(OC)c1OC 1289754684 TXRDZSDMRVNFMH-UHFFFAOYSA-N 426.513 4.709 30 10 IJEE C#Cc1ccc(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)cc1 1291568177 NVUYTLRABXHTPG-UHFFFAOYSA-N 426.516 4.704 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1)NC(=O)OC(C)(C)C 1291909479 FJNRONKBTFGJQN-UHFFFAOYSA-N 438.576 4.500 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 1292215208 HVADZVSRLOYJCJ-IBGZPJMESA-N 449.979 4.642 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccnc(OC2CCC(C)CC2)c1 1293547040 GUMSXKBUGIOZNS-UHFFFAOYSA-N 446.551 4.720 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 1296462614 GEMKXUCVZSQLHE-UHFFFAOYSA-N 431.580 4.944 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cccs1 1298526241 AURPROVLMVMYKU-XMMPIXPASA-N 435.597 4.802 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(COC)cc1 1300283787 OYDJPMNYULBIPI-MSOLQXFVSA-N 434.609 4.784 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccc(Cl)cc1 1300349095 VDBLCQAORLQREV-UHFFFAOYSA-N 444.366 4.966 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@](C)(C#N)C1 1300392228 OWTUMPFRHQZNOT-VWLOTQADSA-N 429.524 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1300876039 RFXMXQIVMSQODX-KEZOAJOQSA-N 443.680 4.721 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1301088966 LZBNIFFZWYWCMX-UHFFFAOYSA-N 433.503 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N(C)CC(C)(C)CN1CCOCC1 1301140909 GNOQRWSWNVGTMK-UHFFFAOYSA-N 439.648 4.650 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301183559 ZKGVSUFZHUPCMT-UHFFFAOYSA-N 425.964 4.771 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@]1(C)CCCS1 1301355251 TUDHIOVFCGFWSB-DEOSSOPVSA-N 437.588 4.881 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1301415409 TZLOZHQCHKXRJT-PZJWPPBQSA-N 432.996 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@H](OC)C(C)(C)C)C1 1301543978 ROINWAQPBLLPBA-XXBNENTESA-N 449.599 4.644 30 10 IJEE C=CCSCCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301620742 JRYCCYWYQTWJHW-ZEQRLZLVSA-N 446.661 4.565 30 10 IJEE CSc1ccc(F)cc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1302652848 FUFPWTAKLPWWMG-IBGZPJMESA-N 429.565 4.559 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1 1304459095 FAGSXIIVECBVMP-GOSISDBHSA-N 433.618 4.904 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)c1ccc(Br)cc1 1310312881 UNLIPSVHCRAATA-IBGZPJMESA-N 444.329 4.580 30 10 IJEE C#CCN(C(=O)Nc1cnc([C@H](C)CC)nc1)[C@@H]1CCOc2ccc(Br)cc21 1310628818 IXBWVZDCIXULFC-RDTXWAMCSA-N 443.345 4.744 30 10 IJEE CCc1ccc([C@H](NC(=O)Nc2cccc(CC#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 1310750868 FSRJJNTWBUXRNW-DEOSSOPVSA-N 447.560 4.630 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)cc21 1311252122 LEVLOCDXZHJOLL-LJQANCHMSA-N 439.560 4.666 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc2c(OC)cc(Br)cc2s1)c1ccc(F)cc1 1311308168 SSRQLWBVTGXMDQ-CYBMUJFWSA-N 434.290 4.703 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(CC(=O)N(CC)c3ccccc3)cc2)cc1 1356211402 FBRFKPDBZCWOSK-UHFFFAOYSA-N 426.516 4.937 30 10 IJEE C=CC[C@@]1(C(=O)NCC2(c3ccccc3OC)CCCC2)CCCN1C(=O)OC(C)(C)C 1356251324 CMALIDCIXXUSTM-SANMLTNESA-N 442.600 4.969 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(Br)c(Cl)c1 1356626726 ANOCTWCFKJHNJY-AWEZNQCLSA-N 430.730 4.628 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1359061328 YXUXCOGKDZVTGP-IBGZPJMESA-N 428.577 4.522 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1359076635 HUBQMHNNGGYQGE-BEFAXECRSA-N 433.394 4.841 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359085408 MSMSNIQSTSRODI-BETUJISGSA-N 443.311 4.644 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H](C)[C@@H]1CC 1359087411 DVZXAKQONLCTGI-RDJZCZTQSA-N 449.393 4.789 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@H](C)C1)c1ccccc1 1359138656 ZVPQHPYLJIQPED-HZPDHXFCSA-N 440.389 4.852 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN(C)CC(F)(F)F)C1CC1 1359248280 HSFAXPDMWPYBFA-UHFFFAOYSA-N 427.902 4.638 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCSC1 1359276167 UMCTYCSFXAFHAX-FQEVSTJZSA-N 439.654 4.622 30 10 IJEE N#Cc1ccc(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)c(F)c1 1436211609 BMSCGDYUYLSWBX-UHFFFAOYSA-N 433.668 4.683 30 10 IJEE C#C[C@H](NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1436652006 WBINIUFUQXUAJD-KRWDZBQOSA-N 426.701 4.664 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)CCCN1C(=O)OC(C)(C)C 1439000733 RHARYXRVHNJXSM-QHCPKHFHSA-N 447.482 4.582 30 10 IJEE C=CCNc1ncc(C(=O)N[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)s1 1442465445 FYMAFXUKWUKVIN-IBGZPJMESA-N 437.565 4.780 30 10 IJEE N#Cc1ccc(C(F)(F)F)nc1NC1CCN(Cc2cccc(Br)c2)CC1 1458430844 GDPSGLAUEBSQCY-UHFFFAOYSA-N 439.279 4.811 30 10 IJEE N#Cc1cccc([N+](=O)[O-])c1CN(Cc1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1 1459699728 OJJKNNYRCRCKAA-UHFFFAOYSA-N 433.855 4.909 30 10 IJEE C#CCN(C(=O)CNc1ccccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1465179690 KFEFKZLEWJZNQL-SFHVURJKSA-N 433.733 4.500 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1468481003 JBMOYGGDCCHESY-TZIWHRDSSA-N 431.577 4.742 30 10 IJEE C#C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(Br)cc1 1468839757 POYTXEPKIOTQNC-JTSKRJEESA-N 440.385 4.648 30 10 IJEE C=CCCC1(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CCCC1 1470075361 VHHFVSQTYHSBPC-VWLOTQADSA-N 426.420 4.980 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H]3CCCCCN3C(=O)OC(C)(C)C)cc2n1 1477121887 GKCUTWKFWOLZSL-IBGZPJMESA-N 427.549 4.524 30 10 IJEE C#Cc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)c(Cl)c1 1477147489 UEFOIMPLHLZTLE-ROUUACIJSA-N 430.882 4.732 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCn2c3ccccc3c3ccccc32)c1 1477923746 DYIUWQAJFVQCQG-FQEVSTJZSA-N 426.520 4.975 30 10 IJEE C[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1494548352 FCGAXBFKDKZUGU-JXFKEZNVSA-N 447.505 4.658 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)c1 1504331003 DOCRCAJNSZYKPV-JTHBVZDNSA-N 437.588 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCSC1 1507520462 ZUJRHMVBLITYAC-RXVVDRJESA-N 433.625 4.954 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CC#N)CC1 1507557496 YJXKQKFXYBOXQR-UHFFFAOYSA-N 440.389 4.950 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)N1CCC[C@H](C)C1 1507659517 AKORHZRTIBSUAJ-ZCYQVOJMSA-N 445.655 4.793 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@@H](F)C1 1507817486 JFDWGZOZJSCQED-SJLPKXTDSA-N 432.540 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CC(C)C)CC1 1507821060 STDWPJKNJQOUQE-UHFFFAOYSA-N 437.636 4.681 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1Cc1cccs1 1507839240 BHUPJDWKQGCDKU-NRFANRHFSA-N 433.581 4.682 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](OCC)c2ccccc2)CC1 1507903428 DBBKOVBJCZSGIU-QFIPXVFZSA-N 437.613 4.814 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1507925816 JCPDIDKKBCGUJR-SFHVURJKSA-N 428.577 4.712 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2Cc2cccs2)nnc1[C@@]1(OC(C)C)CCOC1 1507952683 ANLHBALAYOROQF-WMZHIEFXSA-N 430.618 4.558 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2occc2C)C1 1508117467 NWTSROFXHUWHLI-AWEZNQCLSA-N 449.374 4.500 30 10 IJEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1508162196 POKMTLCZPYUQIQ-QZTJIDSGSA-N 447.674 4.665 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)c1cccs1 1514970008 AYKXVXJQZJBSGW-RXVVDRJESA-N 434.613 4.950 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 1517880932 YDUIHJJFSQHTCU-UHFFFAOYSA-N 433.483 4.762 30 10 IJEE C#Cc1ccc(CNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 1522547507 NZOXXEXWOGXORP-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 1523486347 LUAXZZRDTGAOKM-OAQYLSRUSA-N 442.515 4.841 30 10 IJEE CC(C)c1ncc(Br)c(C(=O)N(Cc2ccco2)c2ccccc2C#N)n1 1524771711 BOQHHGKFJSLPDC-UHFFFAOYSA-N 425.286 4.674 30 10 IJEE C=CC(C)(C)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 1525707776 CDQRBXZJRPOWGR-UHFFFAOYSA-N 430.961 4.660 30 10 IJEE Cc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1N1CCOCC1 1526183606 GACBCNKCAWUFEK-UHFFFAOYSA-N 441.531 4.729 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1526457276 DOGRGWOKLLOOCU-SFHVURJKSA-N 427.342 4.569 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1532989914 KGNVYZDHFTXNAZ-DEOSSOPVSA-N 430.520 4.879 30 10 IJEE CCOC(=O)COc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1 1534784351 HMAWBJVJHSBABU-UHFFFAOYSA-N 430.460 4.853 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(C3CCCCC3)CCCCC2)ccc1F 1535488024 DUMAPGXUNCYCMG-UHFFFAOYSA-N 436.593 4.551 30 10 IJEE C=CC[C@]1(C(=O)Oc2cc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 1537106527 XXIPOJPRQWFKEI-HXUWFJFHSA-N 440.334 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1538975690 BZUXJSWHAVAKGE-FSJWIPBVSA-N 442.991 4.549 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@@H](C)C1 1539319926 LMSSQEOCGCXRNS-MSOLQXFVSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(Cc2ccccc2)CC1 1539347352 PXVJVJREOSOYOZ-UHFFFAOYSA-N 438.373 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1539615719 KUXOLOKUOPJXQN-FVJLSDCUSA-N 445.995 4.501 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCc1nccs1 1539621909 CJDLQQYILOGNIQ-YLJYHZDGSA-N 444.004 4.715 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1539623041 JOYOYXRVVYGRGN-PNJWGLBASA-N 438.616 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnccc1OC 1539649764 DCGYYZMYEASVER-FQEVSTJZSA-N 435.572 4.889 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CC=CCC1 1539907009 VVZNBYKEMQGPRJ-LJQANCHMSA-N 442.629 4.743 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1539917398 UQEIXGLRWAAQRR-KBWCOIMZSA-N 430.637 4.948 30 10 IJEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1539971532 JKCAUBMHGQKMAD-UZLBHIALSA-N 447.505 4.863 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1540048773 BENGHIYUZSUAEW-HSALFYBXSA-N 443.611 4.936 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCSCC(C)C 1540092078 FUJWLJYRCHFBPC-SFHVURJKSA-N 437.654 4.752 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC1(SC)CCC1 1540120402 KRPZAZPXPOWFQU-HXUWFJFHSA-N 428.602 4.617 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(CC)C1 1540137843 VVPSXGQFCBQMFN-HXUWFJFHSA-N 439.604 4.604 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1c(C)noc1C 1540191493 MRFDRUPXTIZRJE-UHFFFAOYSA-N 441.601 4.567 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2ccc(Cl)s2)C1 1540893570 GBSSIBCKTJZPQX-GOSISDBHSA-N 446.979 4.747 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCCC2)C1 1541376051 HTOQSBHJNSAQBF-QHCPKHFHSA-N 434.632 4.954 30 10 IJEE C#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 1543332465 NJGBDVBQEIIMEY-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 1558903426 BPICOEPQLDETGO-UHFFFAOYSA-N 435.886 4.686 30 10 IJEE CC[C@H]1CN(c2ccc(C#N)c(Br)c2F)CC[C@@H]1NC(=O)OC(C)(C)C 1559158591 BZRHWFOVZPGMCJ-JSGCOSHPSA-N 426.330 4.589 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](Cc2ccc(F)cc2)C1 1559547629 ADTZWHGYXPXWGM-SJLPKXTDSA-N 425.573 4.919 30 10 IJEE C#CCNC(=O)C1CCN(Cc2ccc(Br)cc2Oc2ccc(C)cc2)CC1 1560783386 BUFJAGFJMGQJEF-UHFFFAOYSA-N 441.369 4.511 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCc2cccc(N3CCOCC3)c2)cc1 1562811919 DUAIXXMHYPLUBQ-UHFFFAOYSA-N 444.560 4.868 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 1563360280 JMSBVOFCAJDSBT-IBGZPJMESA-N 425.533 4.504 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1)c1ccccc1 1564396814 QUTKBFZEYFHCJH-WOJBJXKFSA-N 439.522 4.916 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccc(Cl)cc1F 1568897974 MIKXOOFACSJLOW-MSOLQXFVSA-N 448.723 4.565 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)s1 1584687527 YBSIETDJDPPLSK-STQMWFEESA-N 440.491 4.626 30 10 IJEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 1585707648 DCOOZGNCDBUGJQ-UHFFFAOYSA-N 449.532 4.632 30 10 IJEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](C)C[C@H]1C 1586406490 AYRWZFQVMXVEJQ-JGDUNROCSA-N 438.499 4.928 30 10 IJEE C#CCCCn1c(N(C)[C@@H](C)C2CCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587893793 IQBNIPJTGWCOPZ-SESVDKBCSA-N 443.636 4.867 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1sccc1C 1588185397 GCNCIBRQCNKVMU-UHFFFAOYSA-N 425.561 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccncc1Cl 1588198539 XRSPIMYKDRODRD-UHFFFAOYSA-N 431.971 4.802 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nc(C)cs1 1588266127 LUENCOQDYKJGOQ-QGZVFWFLSA-N 444.004 4.961 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(CC)C1 1589506578 YHJGNYGSWDNIQZ-KIVTUJJHSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1Cc2ccccc2C1 1589599281 FDALGPUMVRKDLZ-SANMLTNESA-N 438.616 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1589652443 VHPXVKPSGDIJCJ-HUUCEWRRSA-N 439.482 4.702 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](COC)C1 1593840177 CQLLRYQIQPPJAV-SFHVURJKSA-N 442.947 4.732 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCCNC(=O)OC(C)(C)C)CC1 1594078001 YDPZWYOTKGMNFM-UHFFFAOYSA-N 431.968 4.670 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1594454195 DGMSIJACSAGLIU-SFHVURJKSA-N 426.565 4.629 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1OCCC1(C)C 1594560236 ZRDDPBPUDVHACN-YADHBBJMSA-N 440.588 4.788 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1nccn1C(F)F)C1CC1 1595044496 VCFIHYBODYKNSE-UHFFFAOYSA-N 449.303 4.502 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2F)C1 1595178961 SYPDSDGABLPSAK-RLSLOFABSA-N 440.563 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCCO1 1595191323 OYJJEOCDOZJRMX-MRXNPFEDSA-N 435.341 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)CN1CCCC1 1595196187 NIVQVCVEWJTINA-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1595228428 BXLIPYNEXPDASQ-HSZRJFAPSA-N 447.583 4.789 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1Cc1cnn2ccccc12 1595228479 DJSIIJJEWWVLPV-UHFFFAOYSA-N 430.581 4.753 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(N2CCCCC2)cc1 1595867232 FFQBMLWJCGSGQW-QFIPXVFZSA-N 429.605 4.585 30 10 IJEE CC(C)CCN1CCC(Cn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)CC1 1607157332 BQHKYGLVZGRHQE-UHFFFAOYSA-N 440.680 4.899 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)Cc2ccc3c(c2)OC(F)(F)O3)s1 1611290406 PCPMXWGRRZNSSX-UHFFFAOYSA-N 446.928 4.819 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)N(C)C 1611291663 BTHUOUJDTUCVEV-IIBYNOLFSA-N 447.002 4.986 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](c2cccnc2)C(C)C)n1 1612198736 ACQUGJRARUIEER-JOCHJYFZSA-N 429.572 4.613 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3)C(=O)OCC 1613104266 AVMRBYWXOUAXDA-AWEZNQCLSA-N 440.590 4.783 30 10 IJEE C=CCn1c(SCc2cccnc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCCC3 1613123735 WBLKHKSQZXHIMV-UHFFFAOYSA-N 428.539 4.508 30 10 IJEE C=CCn1c(S[C@@H](CC(C)C)C(=O)OCC)nnc1-c1ccc(Br)cc1 1613308411 ZQYIWPGFDIABQQ-INIZCTEOSA-N 438.391 4.964 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(I)c(Cl)c3)cc21 1615749293 NYRXTUHVWCWKNW-UHFFFAOYSA-N 437.668 4.733 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1622346673 JVBKOWRMOWCVNF-XHDPSFHLSA-N 426.298 4.881 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 1623032756 CVSJIQNLPZAPHC-UHFFFAOYSA-N 426.488 4.522 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1623401209 DBFPLOUQRHCOSN-CQSZACIVSA-N 428.451 4.576 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2sccc2[C@H]1c1cccs1 1624634919 HNBYFFHJOZINOB-QHCPKHFHSA-N 435.574 4.964 30 10 IJEE C=CCCC[C@@H](C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1)c1ccccc1 1625029343 RVVJIFPUISMSTP-PZJWPPBQSA-N 429.358 4.964 30 10 IJEE N#Cc1cc(Cl)c(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c(Cl)c1 1627707925 AHSQLDPHZJUVPI-MUUNZHRXSA-N 437.348 4.545 30 10 IJEE C=CC[C@]1(C(=O)NCc2nc3ccccc3n2C(C)C)CCCN1C(=O)OC(C)(C)C 1629845512 IAICNMWVUBSZNH-XMMPIXPASA-N 426.561 4.579 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 1631195081 OVZCAYYDWHVOGS-HOTGVXAUSA-N 436.396 4.630 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1CCCO1 1634530110 LUNHQYBVPAXXTL-ILBGXUMGSA-N 440.499 4.642 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(CC)cc1)C(=O)OCC 1636816993 SUYBRTPDHMHWNV-HSZRJFAPSA-N 431.536 4.729 30 10 IJEE C=C(C)[C@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1ccc(F)c(F)c1 1638963042 ZEGJEUFFJGZTAH-SFHVURJKSA-N 437.368 4.922 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(Br)c1F 1641200248 FSKGADCOGPZGIP-NSHDSACASA-N 439.684 4.702 30 10 IJEE C=C(C)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccccc1 1642963552 JAGNQLZPMNPSTA-UHFFFAOYSA-N 442.563 4.991 30 10 IJEE C[C@@H]1[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCCN1C(=O)OC(C)(C)C 1643094282 CVUZMGKDBLLKIJ-VGOFRKELSA-N 435.524 4.868 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCOc2ccc(Br)cc21 1644456169 FOJBTYNMHHIBIS-KBXCAEBGSA-N 435.387 4.527 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 1645282823 CGSOPMVGSFWRIY-GOSISDBHSA-N 447.645 4.528 30 10 IJEE C=C[C@@H](C(=O)N[C@@H](C(=O)OCC)c1ccc(Br)c(Cl)c1)c1ccccc1 1652418672 LBPSLEDFUCNUNM-CRAIPNDOSA-N 436.733 4.793 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)CCc2cccc(Br)c2)cc1 1658800880 GGIUFGUGXWAGNV-SFHVURJKSA-N 428.374 4.567 30 10 IJEE CCCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1659786399 CORWOMXSPRKBSC-GOSISDBHSA-N 437.334 4.548 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F 1661002670 KEGAFNCIUUQTCF-UHFFFAOYSA-N 429.844 4.816 30 10 IJEE CC(C)C[C@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)N[C@@H](C)c1ccccc1 1673983440 DQIRYRMZGDPLEF-DOTOQJQBSA-N 444.377 4.603 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 1676886399 NWGNOMCXDVYVNA-UHFFFAOYSA-N 429.564 4.979 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)C[C@@H](O)c1cccs1 1678356003 ILBPKLDFMNMBEU-IUODEOHRSA-N 425.348 4.709 30 10 IJEE C=C(CNC(=O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 1683120424 FIFKBYWVNHUBIL-UHFFFAOYSA-N 441.575 4.806 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1684424945 HXOQJRZTMWVWLR-QGZVFWFLSA-N 449.320 4.560 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnc(C)s1 1690563654 ZIADVRTWQAHOLX-UHFFFAOYSA-N 436.972 4.999 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1690595134 OSTYICMGWFCROH-FQEVSTJZSA-N 441.620 4.904 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@@]1(OC(C)C)CCOC1 1690752535 LJJRJQPUMBFSEI-DENIHFKCSA-N 448.658 4.641 30 10 IJEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCC1(C)C 1694544808 FEVWSGQACDORAZ-CYFREDJKSA-N 425.552 4.688 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1cccnc1)C(C)C 1705592363 IKAJQIGLXKJDOI-HSZRJFAPSA-N 431.971 4.896 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(OCC)CCCC1 1705624971 BIGBANGBMWWVEQ-QFIPXVFZSA-N 440.563 4.648 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCN1CCCC 1705671025 SLQGZUVFKVAFDM-HYBUGGRVSA-N 441.023 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC1CC(F)(F)C1 1705709877 SLLQAAYNIRZOIW-UGKGYDQZSA-N 446.542 4.628 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1705745714 GMRAIAVQZIEWRS-APWZRJJASA-N 437.009 4.825 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1705770656 PGYUFWVNKCSBNW-LJQANCHMSA-N 449.624 4.663 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)N2CCCCC2)CC1 1705771531 XVPWOKDCXLSADC-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCOC(C)C)CC1 1705778276 QBORPDKKSICYOV-UHFFFAOYSA-N 436.398 4.643 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)COCc2ccccc2)CC1 1705783606 NGUZITHUNHSCSJ-OAQYLSRUSA-N 431.584 4.519 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(C(C)(C)C)no2)CC1 1705785147 XOQVHYYVWGXUDT-UHFFFAOYSA-N 439.535 4.732 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1705808364 KQRNTTITOSOBID-XMMPIXPASA-N 437.613 4.742 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](CN2CCCCC2)C1 1705810464 ZGKCHBOXNTXIPW-DNVJHFABSA-N 443.680 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C)COC1 1705864038 OXQMBKJPVQFJAR-UHFFFAOYSA-N 446.523 4.837 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1705866171 JGIMEOFTNSCQPK-JBACZVJFSA-N 430.618 4.835 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN1CC 1705868325 ITSGTCGMIUWIIY-JOCHJYFZSA-N 435.641 4.916 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCCNC(=O)OC(C)(C)C 1705871427 JPMWBLZHIOVHLB-UHFFFAOYSA-N 448.571 4.587 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCO)Cc1ccccc1 1722325489 LTUAGPKDTZOASI-UHFFFAOYSA-N 434.609 4.688 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1ccc(Cl)s1 1722373785 MKNTXYJBNOOECP-MRXNPFEDSA-N 442.947 4.588 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1sccc1C 1722406876 AEIZAQVTBNIXPI-UHFFFAOYSA-N 438.597 4.813 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@@H]1OC 1722466977 JLYMMJWYCUMRGT-MWRIXTAVSA-N 442.991 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1Cc1cccc(COC(C)(C)C)c1 1722470227 NXAWTPJNDJQZNS-AREMUKBSSA-N 431.584 4.639 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CCSCC 1722486119 RVCBZCQXJUSCCY-HNNXBMFYSA-N 434.407 4.693 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)CCc1ccccc1 1722505892 KUMFHRVVLXSAPB-LADGPHEKSA-N 431.584 4.699 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1722533144 IZXOEEAHSPHYAM-LJQANCHMSA-N 436.604 4.720 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722592628 WXQZMDWENYUQSY-ZDUSSCGKSA-N 440.432 4.705 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CC1(SC)CC1)C1CC1 1722645307 HYRLFUMRPPRFCG-UHFFFAOYSA-N 449.418 4.767 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1cscc1C 1722665187 HEVGFVOKSQRFMP-UHFFFAOYSA-N 432.391 4.643 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)CC 1722679102 NMZVHYIYGADWKR-NRFANRHFSA-N 434.993 4.613 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2cccc(C)n2)C1 1722713266 CMOVGJAOANAGHB-QFIPXVFZSA-N 437.975 4.716 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[C@@H]2CCCCO2)c1 1724547093 AKBYZWYPPMFBKW-SQJMNOBHSA-N 437.588 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=C)c1ccccc1 1740558014 BSMOIZJXECETKX-FPOVZHCZSA-N 435.572 4.521 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1740802811 QDNWOTLISIGVSF-DNVCBOLYSA-N 447.530 4.982 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2cnc(C)s2)CC1 1740820523 HJDAJIXBEGQQMQ-UHFFFAOYSA-N 439.585 4.711 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)SC)CC1 1740820758 PYIINNRWGCPYJS-ZDUSSCGKSA-N 425.371 4.755 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[C@@H](OC)C(CC)CC)CC1 1740822205 ZZRCWIBJZCTGBZ-HXUWFJFHSA-N 426.561 4.672 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCN2CCC)CC1 1740833770 XYMALNGAMOLELE-KNQAVFIVSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1740864001 CYQOWCNEPQRWEB-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1nccs1 1740884229 UEEXIAYJYXYVHH-MRXNPFEDSA-N 443.642 4.817 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CC)C1 1740888339 IVCPWVGCOOPHOV-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](F)C1)C(C)C 1740926012 FUHKMBWLPNMHPP-BVYCBKJFSA-N 429.559 4.577 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740946913 JSCVMZUOJJGFRZ-IHPCNDPISA-N 429.609 4.594 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCOC(C)(C)C)C1 1740972690 LFGMRFHHTCMFNJ-SFTDATJTSA-N 442.604 4.631 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1741003989 LLFSODGTGPPAED-GOSISDBHSA-N 443.617 4.686 30 10 IJEE CCc1cnc(CCn2c([C@@H](CC)c3ccccc3)nnc2N2CCC(C#N)CC2)s1 1744404134 FASMXRDYRLKSMM-NRFANRHFSA-N 434.613 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1748642782 QLWCRZCAXHGENM-VQIMIIECSA-N 427.474 4.740 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCn1ccnc1C 1749059686 BTBUZGJRUKXNKB-AREMUKBSSA-N 446.599 4.567 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCC(F)(F)F 1749133450 LXUVLXQUZWIHAD-IFXJQAMLSA-N 444.448 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1749136506 OGAAFGXFMQLSTQ-XSARVHFWSA-N 438.616 4.937 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](OC)C2CC2)CC1 1749334274 FYJBBKRTSWEEBG-LJQANCHMSA-N 449.368 4.674 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC)CCC 1749368466 KAXYNCZCHHRLAQ-IBGZPJMESA-N 449.640 4.815 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1749442646 UUEBIQQUQLXVNZ-RCZVLFRGSA-N 444.627 4.719 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1749511894 ONWVRORUMXNLIJ-GOSISDBHSA-N 444.023 4.882 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C 1749558835 YPPXVNMPSASBPM-WZYRSQIMSA-N 427.637 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1snnc1C 1749564646 XJQPDGAINPAGTI-AWEZNQCLSA-N 426.615 4.518 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1cscc1C(F)(F)F 1749596055 QFNKDDQMVZUOSD-UHFFFAOYSA-N 440.466 4.852 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2CC(OCC)C2)C1 1749703452 ITLORVBQBNETAB-XBMUEBEBSA-N 430.980 4.585 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC2(c3ccccn3)CCC2)c1 1751395027 BQAOFRGZHVLBDS-OAQYLSRUSA-N 444.583 4.587 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2C)CCOCC1 1760107091 QTXZOYLSAQBLAF-LJQANCHMSA-N 449.986 4.508 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccc(OC(C)(C)C)nc1 1760111950 XMWNGXFISZJHTN-QGZVFWFLSA-N 428.540 4.505 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CCC(C(F)(F)F)CC1 1760164266 OOLKESDXBNDFJY-GTPINHCMSA-N 438.469 4.995 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1760324117 IIISGWXHJMDXBS-SIKLNZKXSA-N 439.991 4.634 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1760345638 LBFVNZTZMDHJLY-TYPHKJRUSA-N 443.636 4.984 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1760352930 BUOOBJYSUYVNLW-LEWJYISDSA-N 425.602 4.520 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760380353 ZRTUOXFMHAHYCU-IAQYHMDHSA-N 435.277 4.898 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ncccc2C)CC1 1760384241 PDMNCJUYFBZHCA-UHFFFAOYSA-N 442.336 4.755 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCc1ccc(Cl)cc1 1760441623 OSHPFNOHZNQZEW-UHFFFAOYSA-N 434.975 4.815 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)C1CCCCC1 1760456869 ZAFGJIIYXBYAAP-CPJSRVTESA-N 426.605 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760458391 FIHUEMFTHHVKIG-ACDBMABISA-N 436.556 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H](C)C1 1760485799 QOPCCNYZEARBGO-UYAOXDASSA-N 433.581 4.886 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ccc(Br)s1 1760512040 YYPPMQIKCPGYKJ-UHFFFAOYSA-N 442.386 4.997 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCC[C@@H]2CC)C1 1760538084 BIDVZGLXMWRVDC-VXKWHMMOSA-N 444.023 4.644 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=Nc1cccc(C(=O)O)c1 1772733576 CAZLKYAQWDKEJY-XDSBRRGVSA-N 433.283 4.530 30 10 IJEE CC(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Nc2cccc(C#N)c2)cc1 1858835956 XREONNUGKMHKSV-UHFFFAOYSA-N 429.480 4.738 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c(C#N)c1C 1859757636 FAGGKZVVGJNDQD-UHFFFAOYSA-N 430.489 4.696 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 1860909783 JEIVUQYOIGAUGG-UHFFFAOYSA-N 441.984 4.743 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc(Cl)ccc1Cl 1861765411 PBSUIEGYNXURAB-PXNSSMCTSA-N 443.415 4.826 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 1862382573 DLZVKTCCQIEIHP-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCN(C)C)cc1 1862385278 LIZRYROZRUSTET-FQEVSTJZSA-N 447.362 4.696 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(Cl)c1 1862415870 AEXPZDJOCOULTQ-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862491539 VXYZIMXTWMLLND-XXBNENTESA-N 430.504 4.542 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1Cl 1862562609 JMXKMTKPILNMFP-LJQANCHMSA-N 449.334 4.581 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862569655 RQIWUIZYTADUFI-QHCPKHFHSA-N 437.536 4.891 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1862735453 KZCOJYVIXWLMAG-OAQYLSRUSA-N 432.407 4.512 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cc(F)ccc3F)C2=O)c1 1863078920 NCUDQCHELPIFFH-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863100464 OYSFDMDKHFASIA-UHFFFAOYSA-N 439.446 4.605 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1863429971 QFUOXFJKDJSUJA-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(F)cc2)C1=O 1863507274 HUAGNVDZZVDETD-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE CCCC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N 1866945989 JWKSZMIDAWRLDY-QRWLVFNGSA-N 442.357 4.738 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2[nH]c3ccc(C)cc3c2C)c(C)c1 1870159889 VAUOKXWXOUIJEO-UHFFFAOYSA-N 441.539 4.644 30 10 IJEE C=CCOc1cn(CCCCCO)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870812870 MMKYQPHMVUMDAT-UHFFFAOYSA-N 444.881 4.860 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)cc(C)c3C2=O)c1 1871369808 ZPZGEPQVYJBFNW-KIMCNIAYSA-N 432.428 4.840 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)o1 1871450856 SQWTVXFYVZUMLW-LQFJMUIISA-N 434.404 4.518 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871683457 WMMVBWOSHKOHAI-ROUUACIJSA-N 446.590 4.992 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871817555 SZYNDHMZFJQYLV-LJQANCHMSA-N 444.597 4.632 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1871890476 SQLIBCWMWKAMNV-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871985680 IQTQEQSODODASH-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872059290 GYUAONBIBOIWGJ-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1 1872780633 KIRYDDSOFGLFCQ-IBGZPJMESA-N 436.533 4.872 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2cc(F)c(F)cc2F)C1=O 1873239423 PAFCBNPDBTXLLC-UHFFFAOYSA-N 430.426 4.578 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(F)c(F)cc2F)C(=O)N(C2CCCCCC2)C1=O 1873240764 MGVXCXAYZOLCNK-UHFFFAOYSA-N 439.437 4.890 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3cccnc3)ncnc21 1873608828 HCROYOPBULPJDA-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657453 DOMKXDDLILNERG-LJQANCHMSA-N 446.599 4.952 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874304444 ZLQABGSRJYULRA-PXLXIMEGSA-N 425.514 4.560 30 10 IJEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccccn2)c1 1874317244 JHMGVADAQFDFDO-WPWMEQJKSA-N 447.539 4.998 30 10 IJEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccn1C 1874344989 PKGRFGHJTSFAML-KOEQRZSOSA-N 431.565 4.721 30 10 IJEE CSc1nnc(COCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874352583 RAEJCSADTIVFTN-UFFVCSGVSA-N 435.322 4.501 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCCc1ccccc1 1874418370 MALMMYFCULWPFF-NLRVBDNBSA-N 442.544 4.784 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccncc2)c1 1874420497 OYTORCJUTFBTOX-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3nccs3)nnc2C2CCCC2)cc1 1874455107 AROLHTLXFKELRG-YDZHTSKRSA-N 440.598 4.568 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)c(OC)c1 1874482887 SJCVFAZOBRGVHV-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2/N=C/c2cccc3ccccc23)c1 1874529315 CISZEYPBUIIQHE-AFUMVMLFSA-N 429.549 4.970 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2COc2c(C)ccc(C)c2C)ccc1OC(C)C 1874566965 XIUYCEHRLKACFA-WYMPLXKRSA-N 440.569 4.749 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(OC)cc2)cccc1OC 1874576104 WWNWBHHBXFIFBD-NTCAYCPXSA-N 425.525 4.627 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1OC 1874594227 ZBJCMAMRMVKCGV-WUXMJOGZSA-N 435.451 4.757 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)c(OC)c2)c1 1875104234 MOZLDQSXYHHCSG-ACCUITESSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1C 1875108533 SOSOFPIGQYFGJB-DHZHZOJOSA-N 431.444 4.956 30 10 IJEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(NCCCCCCCC)ncnc21 1875230052 MTGDTHXARKKYHQ-RTBURBONSA-N 427.593 4.639 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)[C@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1892137927 LQNBEVCIHZRDLN-RTWAWAEBSA-N 427.957 4.552 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H](C)C[C@H]1CCCCN1C(=O)OC(C)(C)C 1991583900 BHNHKTCMBAGDPQ-RTBURBONSA-N 425.614 4.615 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Cl)c(C)c(Br)c1 2048648875 AURAKDDJVGZZMG-INIZCTEOSA-N 428.754 4.829 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 2076317009 IPTDWQJOQFUAJL-KJOQGJGQSA-N 446.632 4.526 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1F 2089284625 VYOJWQFCFBGRAH-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE C=CCC1(Nc2cc(Br)c(F)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2106208842 WTOMIDKEGMQOQZ-UHFFFAOYSA-N 428.346 4.928 30 10 IJEE Cc1c(Cl)cc(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)cc1Br 2111083321 OZZLOWGLGUHPHJ-UHFFFAOYSA-N 428.563 4.575 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1cc(Br)cc(F)c1C#N 2118156082 HCCJXTZTRMQNFO-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OC)c1Br 2142370458 XCSYTJHKADNBCO-YJBOKZPZSA-N 427.383 4.968 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 2145528334 IGDYENWJJBWLBK-UXHICEINSA-N 437.422 4.975 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1cc(Br)c(C#N)cc1F 2174763284 LHRLXGFHPIKMOQ-GOSISDBHSA-N 440.357 4.932 30 10 IJEE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1c1ccc(C#N)c(Br)c1F 2174769405 YLPRFDDEONMEGL-VNHYZAJKSA-N 440.357 4.835 30 10 IJEE CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1C#N 2181147726 UJEYRGYCVMQXGV-HNNXBMFYSA-N 438.366 4.979 30 10 IJEE C#CC[C@@H](C[C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196840708 LBPJCIUVTAOOPG-YSIASYRMSA-N 435.406 4.652 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2235727157 JXQLIAAMDMRXSS-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](O)(C#Cc1ccccc1Br)C2 2235736472 YHGIJOQFDDJNPI-JOCHJYFZSA-N 434.374 4.733 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 2235746014 HGKHWWHCMDOZKX-JXFKEZNVSA-N 435.406 4.672 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2246604800 ZZNUJIRQSIMAOS-VAMGGRTRSA-N 437.625 4.615 30 10 IJEE Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1 2255651253 VMHQQAZYGJYKTO-UHFFFAOYSA-N 430.354 4.585 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)cc1 2268642201 FMFNTSJJVATEGL-UHFFFAOYSA-N 444.381 4.615 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2F)OC1(C)C 2282466420 MITAQMOMWQSZMC-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2296218594 FYOYPHBSUSJRAJ-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C#Cc1ccc(Br)cc1 2296266229 FSZUZCLIBZYKNV-GCJKJVERSA-N 436.390 4.835 30 10 IJEE CC(C)[C@](NC(=O)OC(C)(C)C)([C@H](N)C#Cc1cccc(Br)c1)C(F)(F)F 2296274528 UUTRQRCWZVNJKR-QAPCUYQASA-N 449.311 4.610 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2296303605 YBZKUBQDULGVGA-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc1)C2=O 2314527210 JZEHLTVARXAEEH-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE COc1ccc(C=C2SC(=NN=Cc3ccccc3OC)N(Cc3ccco3)C2=O)cc1 2314819261 WKCSTEDCZFEZML-UHFFFAOYSA-N 447.516 4.803 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Cl)cc(Br)c1F 2315460977 OYABKDBPMFAALA-HOCLYGCPSA-N 433.749 4.809 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)C=Cc3ccc(C(C)C)cc3)CC2)cc1 2318615923 PNBIZMULRCLGSZ-UHFFFAOYSA-N 441.593 4.965 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccc(CC)cc2)cc1 2321103657 UHADCYMSGASIAU-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(Cc1ccc3c(c1)OCO3)CO2 2322099138 KDKGILNSMDRCKO-UHFFFAOYSA-N 427.456 4.692 30 10 IJEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccco2)C3=O)cc1OC 2323098037 ZMPKSLFVELOSMM-UHFFFAOYSA-N 434.444 4.841 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)CCOc3ccccc3)cc(C)c2C1=O 2323680619 KLNCXRDLYLVKCF-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)c1 2324111097 AICNYJHHCNAYJE-UHFFFAOYSA-N 443.499 4.584 30 10 IJEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc(Br)c1OC 2324599115 YGOYUGZRTMIZRR-CYBMUJFWSA-N 435.343 4.936 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1c[nH]c2ccccc12 2326185986 ZTOLDHCXIKSMOJ-UHFFFAOYSA-N 435.553 4.556 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SC 2328438884 NINAAXXDBSKJJL-UHFFFAOYSA-N 433.493 4.543 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccn2C)c1 2328648536 KUMSYVOHYRRKTC-UHFFFAOYSA-N 445.592 4.627 30 10 IJEE Cn1cc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)c2ccccc21 2330935294 UOHGTYSFHLKBMG-NRFANRHFSA-N 435.528 4.935 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(F)c2)c1C 2331430452 VRVGWGHGFODSOF-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)COC 2331478593 NKJVPSLHQUXBJW-UHFFFAOYSA-N 435.432 4.595 30 10 IJEE CC1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC(NC(=O)OC(C)(C)C)C1 2339578490 HRWRLMXBRRWMLI-UHFFFAOYSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2339592329 OMWITFVQINNKTJ-MHECFPHRSA-N 442.365 4.505 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](COc3cc(Br)cnc3C#N)(C2)C1 2357621505 PEIAZQDMAXIVHX-JLTOFOAXSA-N 436.350 4.522 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@H](O)C#Cc3cccc(Br)c3)CCC[C@H]21 2360196352 OXYYVLBUNLIPNP-VNTMZGSJSA-N 434.374 4.587 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 2360196856 YYUBNELNEHUQNB-XWFZLUIHSA-N 435.406 4.720 30 10 IJEE COc1ccc(COc2ccc3c(c2)O/C(=C/c2cc(OC)c(OC)c(OC)c2)C3=O)cc1 2126970 VQCVSJOPIZUMOC-SSDVNMTOSA-N 448.471 4.916 30 10 IJEE Cc1cc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)c(C)c1 3042777 HFDHACVOZLVMGL-NFFVHWSESA-N 446.551 4.988 30 10 IJEE O=C(CCSc1n[nH]c(NN=C2CCCCC2)n1)NC(c1ccccc1)c1ccccc1 21084570 XGNDHVDDLGHYBZ-UHFFFAOYSA-N 448.596 4.925 30 10 IJEE COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)ccc1O 21258815 UKABFDOWNQGCQR-KGLIPLIRSA-N 432.303 4.712 30 10 IJEE Cc1nc(-c2cccs2)ccc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 28380038 GLSFKYFLBXCMDT-ZDUSSCGKSA-N 437.546 4.724 30 10 IJEE C=CCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1 36315996 CDTFSQLLGVDMQY-HSZRJFAPSA-N 449.595 4.963 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 59794817 PFQRHJHJNHWIGO-UHFFFAOYSA-N 443.916 4.814 30 10 IJEE CC(=O)/C(=N\Nc1nc(-c2ccccc2)cs1)C(=O)Nc1nc(-c2ccccc2)cs1 100068121 ONRQRPJVNLIKLS-LGUFXXKBSA-N 447.545 4.929 30 10 IJEE CCCOc1c(Cl)cc(/C=N\n2c(S)nnc2COc2ccccc2)cc1OCC 169914305 BJYCDJUNYPRXEU-QRVIBDJDSA-N 446.960 4.869 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)cc1 170050786 FSPMMOKSWGPCJC-QHCPKHFHSA-N 441.483 4.873 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2c[nH]c3ccccc23)c1 170077851 ISYRKYGVYSYHKC-XMMPIXPASA-N 437.499 4.958 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCCC2)c1 170119463 BQMMKYHKUDWNQI-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 170134387 YKAVHILLPPJIJN-QFIPXVFZSA-N 433.460 4.553 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140053 KXGNSQHIDMOQPG-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1OC(C)C 170151398 DBAHTXOLZGLWMK-MWTRTKDXSA-N 435.520 4.786 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)cc1 170239261 MFITXOFWNWARNH-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccco2)cc1C(C)(C)C 170293434 FTFWCBHZVNDGIK-NRFANRHFSA-N 441.524 4.591 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1sccc1C 170312806 VCHYRPVWBPSDFW-IBGZPJMESA-N 443.565 4.587 30 10 IJEE CC(=NNc1ccc(C(=O)c2c(C)cc3ccccn23)cc1[N+](=O)[O-])c1ccc(O)cc1 254354293 RAFROQNJKOPASJ-UHFFFAOYSA-N 428.448 4.929 30 10 IJEE CCc1ccccc1NC(=S)NN=C1C(=O)N(Cc2ccc(C)cc2)c2ccccc21 254735203 WXGLSDAFXXYTQM-UHFFFAOYSA-N 428.561 4.795 30 10 IJEE N#Cc1ccc(CNc2cc(I)ccc2Br)cc1F 404141129 LRDRNYUIYNKHQF-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 460933371 PEFLETNWXCHHPZ-OAQYLSRUSA-N 432.524 4.546 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 466386728 RKOMJNXOYSHBJI-OAHLLOKOSA-N 448.317 4.522 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(Oc2ccccc2)CC1 508944720 GODNGUDJHOSZDD-ZEQRLZLVSA-N 430.552 4.757 30 10 IJEE COc1cccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1OC 526490453 GBLPXCJAUYACTO-QHCPKHFHSA-N 426.472 4.941 30 10 IJEE COc1ccc([C@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606941 KZQLOQUFMDDDIJ-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE N#Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 526658786 AAECIJPALHRASH-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 562029212 GDMNESXJZZUTMX-UHFFFAOYSA-N 443.511 4.539 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 583706246 UWXUXSRARNYURW-CVEARBPZSA-N 449.368 4.676 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N3CCC(C)CC3)C2)c1 585964240 GWRWQNSVORMZJW-QFIPXVFZSA-N 426.605 4.570 30 10 IJEE C=CCN(CCOc1cccc2ccccc12)S(=O)(=O)c1ccc(OC(C)C)cc1 586149340 GEJIRONBJVAOMQ-UHFFFAOYSA-N 425.550 4.883 30 10 IJEE C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1cccc(C#N)c1 610356284 NQIMBQYZWUIDMQ-AUUYWEPGSA-N 445.304 4.771 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cncc1Br 687152183 RWTNZJUSESJXEG-RDJZCZTQSA-N 430.362 4.883 30 10 IJEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)c1c(Br)cncc1Br 712367602 UFGGJTMGCHVKHW-ZDUSSCGKSA-N 445.155 4.961 30 10 IJEE C=CCC1([C@@H](Cc2ccc(Br)c(F)c2)NC)CN(C(=O)OC(C)(C)C)C1 722930885 YJTMPJDCRHKZNA-QGZVFWFLSA-N 427.358 4.532 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(OCc3cccnc3)cc2)cc(OC)c1OC 728691888 QWEIQDOZQXHUCT-UHFFFAOYSA-N 433.508 4.728 30 10 IJEE C=C(C)CNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1cc(O)ccc1C 730439885 GBLRMVUGTPRNSB-UHFFFAOYSA-O 447.580 4.944 30 10 IJEE COc1ccc(CCC(=O)OCc2cc(Cl)ccc2OCC#N)cc1Br 735341857 RIASWCNCNPGURZ-UHFFFAOYSA-N 438.705 4.689 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1 742214193 BJIPQXUCHZAVSL-JOCHJYFZSA-N 433.577 4.986 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1=S 763335176 JUXMKFIEUCGJMO-GOSISDBHSA-N 430.574 4.807 30 10 IJEE C=CCc1cc(C(=O)OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC 764152590 RYAIERDOXPVLAH-UHFFFAOYSA-N 443.927 4.547 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SC1CCN(C(=O)OC(C)(C)C)CC1 764990615 PXYWJEHVKCHMAP-UHFFFAOYSA-N 448.564 4.674 30 10 IJEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)cc1 778298029 OGWYYTMPMWRIDJ-FQEVSTJZSA-N 427.485 4.933 30 10 IJEE N#Cc1cc(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1N1CCC(O)CC1 779160598 YMGYZSYUMIRHEZ-RUZDIDTESA-N 428.492 4.629 30 10 IJEE CC1(C#N)CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1 780843291 JDEYGKQJQRCCLX-NRFANRHFSA-N 436.556 4.741 30 10 IJEE N#C[C@H](c1ccc2c(c1)OCO2)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1088704651 SQTHHVYXBLUUIO-HXUWFJFHSA-N 440.908 4.524 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Br)s2)s1 1125629710 FQQXBDCKEHRWMI-UHFFFAOYSA-N 445.363 4.854 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)C(F)(F)F)cc1 1128972568 YNEVDAWDNVWPAK-MRXNPFEDSA-N 440.443 4.610 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CSCC(=O)Nc1cccc(C)c1 1129588857 PLHCYUWKQUTMCB-UHFFFAOYSA-N 449.370 4.633 30 10 IJEE N#Cc1nc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)ccc1Br 1130237100 CTMCJSBWRVERBZ-UHFFFAOYSA-N 429.661 4.809 30 10 IJEE CSc1nc(O)c(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1C#N 1132620947 AFSYWLAZBATAMS-INIZCTEOSA-N 435.471 4.808 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 1134236607 YFKRGFABFLUIKM-QFIPXVFZSA-N 440.584 4.778 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)cc(OC)c1OC 1137943006 LTLAOUNTDDWAKP-UHFFFAOYSA-N 426.694 4.806 30 10 IJEE C=C[C@H](C(=O)NCCOc1ccc(Br)cc1C(F)(F)F)c1ccccc1 1137974671 WSLSMANGBGVGGK-HNNXBMFYSA-N 428.248 4.933 30 10 IJEE C=CCn1c(SCCOc2ccccc2OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164431216 VYBQDJDJZDXDAB-HNNXBMFYSA-N 442.606 4.949 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2OC)cc1 1166683478 MBIWVZPOECEJOR-FQEVSTJZSA-N 428.326 4.837 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1 1189777426 LSYFWAICMDUNNU-QAQDUYKDSA-N 438.362 4.931 30 10 IJEE N#CCOc1ccc(NC(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)cc1 1197036339 BKZAHUOJGFSTKA-IBGZPJMESA-N 428.330 4.981 30 10 IJEE Cc1ccc(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(O[C@@H](C)CC(C)C)c1 1230388983 DOYCKPISAMWFBM-CPJSRVTESA-N 435.568 4.963 30 10 IJEE C#C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1230509874 BXQWDCPUPYLXIU-CTNGQTDRSA-N 442.918 4.804 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(-c4ccccc4)cc3)CC2=O)cc1Cl 1264050832 CPPFGQVLOMSZBZ-NRFANRHFSA-N 430.891 4.975 30 10 IJEE CC[C@@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN(C(=O)OC(C)(C)C)C1 1264824056 ANGNQKDOKUIINW-XMMPIXPASA-N 436.512 4.721 30 10 IJEE C#CCCN(CCOC)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1280419795 BHAWVWHCLSVPKL-UHFFFAOYSA-N 436.335 4.693 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CCC)CC1 1286281989 KFLVRIXMDHPZCM-OAHLLOKOSA-N 431.378 4.754 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286357640 XPQCKDPDUKPYAF-FQEVSTJZSA-N 428.527 4.759 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)c1ncc(C)s1 1286450943 OWHCAPIMTIAATK-HNNXBMFYSA-N 429.977 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H]2c2ccc(COC)o2)nnc1C(C)(C)C 1286561741 HDOMSZOCBYHRLG-DSKINZAPSA-N 428.577 4.638 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CCOCC2)C1 1286635977 HSHJYXNVHBGQHI-UHFFFAOYSA-N 439.412 4.983 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1286690092 CHBIVISXCTWYQB-GOSISDBHSA-N 429.634 4.919 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccs1)N(C)C)C1CC1 1286732976 LAZFXMBEOAWJAG-QGZVFWFLSA-N 428.993 4.513 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CSCCS1)C1CC1 1286739584 HYDPOAFOJJRRQM-SFHVURJKSA-N 437.034 4.514 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccoc1 1286764904 FHYADSSMEUNXLT-UHFFFAOYSA-N 431.540 4.633 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1286767056 DQYSWKHNALEUBH-XUZZJYLKSA-N 449.599 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC[C@@H](F)C2)C1 1286802312 ABTVVWOYRLZYLN-KFKAGJAMSA-N 449.368 4.627 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCC2(C)C)C1 1286805134 RBRQGQZOVCKPSN-RDJZCZTQSA-N 448.409 4.643 30 10 IJEE C=CCCOCCCCC(=O)Nc1c(-c2ccccn2)nc2ccc(Br)cn12 1289510547 HDUUVZRDVHACAC-UHFFFAOYSA-N 443.345 4.860 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1293931273 DSIWVFUPFBFOEU-FHWLQOOXSA-N 425.577 4.557 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](CC)[C@@H]2C)c1 1296702059 QQQRJNAYTQCKHQ-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CCC)CCC1 1300330617 ZVVIHOKHJXAXGQ-OALUTQOASA-N 429.609 4.778 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(CC)(CC)OC 1300511791 CSGWJLCHDFUOHX-UHFFFAOYSA-N 447.608 4.655 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1csc(CC)n1 1300520641 IFVIGBVXAHYIPY-UHFFFAOYSA-N 431.609 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCN1CCC 1300595813 QXCYQCIALXSVGZ-HSZRJFAPSA-N 449.668 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1300877554 YMERTDBWYRZKCU-ZEYPLWLESA-N 440.588 4.741 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC2(CCCC2)C1 1300975724 ZFTJLXXZBGOSGV-UHFFFAOYSA-N 448.409 4.789 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1300991996 ZIWLWJROXMJRMB-UHFFFAOYSA-N 447.023 4.899 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CC2(CCOCC)CCC2)CC1 1301095530 IWKBLJZWHZAVPH-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CC2(OC)CCCCC2)CC1 1301134681 MLMXWVNUTHPGEY-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301149201 YOWYVQZUAGLCMN-LJQANCHMSA-N 431.625 4.984 30 10 IJEE CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1301203857 HDVQBQMUMRMSFS-INIZCTEOSA-N 434.506 4.845 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301214550 CHLPVAIKQYWNSG-GMAHTHKFSA-N 432.616 4.739 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1301226259 DZOSPGYGPIZCES-QHCPKHFHSA-N 443.016 4.734 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1301245540 DSZYWFWXOPHOMB-PKTZIBPZSA-N 437.632 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCCC1(C)C 1301412547 CZDDKTRZLFNRDT-HHHXNRCGSA-N 448.611 4.947 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1301420794 KFLIGDXQSOGNNR-NQIIRXRSSA-N 430.568 4.564 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1301542201 LELNHDMPGMDSNZ-BMQTXXJKSA-N 430.980 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](CCC)OC)C1 1301543047 UNTZGLAACBNURY-FCHUYYIVSA-N 426.605 4.839 30 10 IJEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1CCc1ccc(OC(F)(F)F)cc1 1302885787 DJPFEGPDZDUJHV-UHFFFAOYSA-N 435.494 4.748 30 10 IJEE Cc1c(C#N)c(NC(=O)CNC(C)(C)CN(C)Cc2ccccc2)n(C2CCCC2)c1C 1307585263 GUDQDLPODFXKFK-UHFFFAOYSA-N 435.616 4.530 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cc(Br)cc(C(F)(F)F)c1 1308747247 BLNNBAAFSVKAHJ-UHFFFAOYSA-N 440.307 4.903 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 1310474051 BCZGLMIXCUFYSY-HSZRJFAPSA-N 446.532 4.558 30 10 IJEE CC(C)c1sc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)nc1-c1ccccc1 1310730513 GVPGPBAPHGMJQP-UHFFFAOYSA-N 446.580 4.991 30 10 IJEE C[C@H](O)CN(CC(F)F)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1310887950 ABWMZBBYXVEZDB-LBPRGKRZSA-N 425.888 4.843 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1)c1ccc(Br)cc1 1311456237 MIAJYPCVGXGFIU-BEFAXECRSA-N 445.357 4.981 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(Br)cnc2Br)c(OC)c1 1348601498 VIACNRAHFVIIMC-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1358907940 GZNKHHAJHLXYQG-QGZVFWFLSA-N 436.478 4.545 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@@H]1CCCCC(F)(F)C1 1359017904 VVYFZOSGQULSTD-LJQANCHMSA-N 434.506 4.809 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(CC)CC1CCC1 1359053159 DAKDMCBUFQHJNO-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1359079201 AQIKVJBMUFHYIT-QGZVFWFLSA-N 429.318 4.802 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1359186821 UJERATZDBVSFKP-IBGZPJMESA-N 438.645 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1359189167 CGZWMHHSYRZUJX-OAQYLSRUSA-N 426.580 4.863 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC(C)(OC)C1 1359223507 MXLHUBFWOBLMGW-UHFFFAOYSA-N 442.560 4.631 30 10 IJEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1359228079 TWAXMPQLAWDAOW-IBGZPJMESA-N 443.661 4.789 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN(C(C)C)C1 1359232345 RZJRZGZSBSQMAV-OALUTQOASA-N 432.012 4.814 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(C)OCCc2sccc21 1359244870 UAMZCBXLLOXDSL-QFIPXVFZSA-N 444.988 4.682 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CC(C)(C)C1 1359257531 MYMPBZORVRRVMT-GOTSBHOMSA-N 449.599 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1Cc1ccc(C[S@](C)=O)cc1 1359262642 AAFUJTAFBMSFJT-PMERELPUSA-N 440.638 4.727 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@@H](C)C2)cc1 1443771350 RYKOJVRXYZWZJI-ZHRMCQFGSA-N 440.609 4.757 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1OC 1450654504 BADPSIGYXPSJRS-UQSITJFBSA-N 429.516 4.864 30 10 IJEE Cc1ccc(-n2cc(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)c(C(C)(C)C)n2)cc1 1458833621 DWJPRFLVVMSFDR-UHFFFAOYSA-N 442.498 4.927 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)CCCN1C(=O)OC(C)(C)C 1464342141 UONKFRCBZAFVCD-HHHXNRCGSA-N 449.595 4.975 30 10 IJEE N#Cc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c(F)c1 1464711557 CGARBDFZGNQFFY-XMMPIXPASA-N 433.914 4.898 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccc(Br)cc1 1465672735 DPFRBWFLSYQBIY-OAQYLSRUSA-N 443.341 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)Nc3cc(C#N)c(F)cc3F)C2)C1 1467184893 FQJAPAQLDXPGFC-JKSUJKDBSA-N 448.514 4.727 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Br)cc1 1468451320 PSHTWZNIMTUGJF-DLBZAZTESA-N 437.378 4.569 30 10 IJEE COc1ccc([C@H](CNC(=O)COc2ccc(C#N)c(C)c2)c2c[nH]c3ccccc23)cc1 1473024941 HTTZKKAVWJBLBH-DEOSSOPVSA-N 439.515 4.684 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCc2c(-c3ccccc3)cccc21 1475175080 CRZAPPALOPARQP-UHFFFAOYSA-N 428.435 4.995 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 1475469279 ANIKHZLFFQCFJH-ROUUACIJSA-N 436.533 4.746 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2ccc(Br)c(Br)c2)c1 1476150417 HQZFHYXGCXMZTP-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc21 1477135088 SWEWYQJKXPILOU-UHFFFAOYSA-N 430.339 4.883 30 10 IJEE COc1ccc([C@@H](Cc2ccccc2C)NC(=O)NCCc2ccc(C#N)cc2)cc1OC 1477651240 ARHWTGRFZPNVKR-XMMPIXPASA-N 443.547 4.710 30 10 IJEE C#CCN(C(=O)NCc1c(F)cc(C)cc1F)[C@H]1CCOc2ccc(Br)cc21 1479414685 VNSMJHZZBZGIHS-IBGZPJMESA-N 449.295 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCc1nc(C(C)(C)C)cs1 1507543534 QHDIINMOFYBEGF-SFHVURJKSA-N 437.613 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1C[C@H](C)O[C@@H](C)C1 1507771612 FMZCXCBYVVYORU-CUVVAGTFSA-N 436.600 4.615 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1507796836 QUEYRDDENSHSKC-FPOVZHCZSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2nc3ccccc3s2)nnc1C(C)(C)C 1507811736 UKTIUXMRVIBEAZ-UZLBHIALSA-N 425.602 4.803 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ncc(CC)s2)CC1 1507901750 PPGWBQUNWGODJW-UHFFFAOYSA-N 429.540 4.617 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)C2CC2)CC1 1507908713 CBYVLYVONFQJSF-AREMUKBSSA-N 438.616 4.718 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1507909931 XZSDTNBUOSJLFE-JOCHJYFZSA-N 425.646 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCO2 1507922439 AEYCRPCTZUSVSK-UHFFFAOYSA-N 439.585 4.601 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)c1ccccc1 1507974508 HRVVHWHFDDWAAK-HNNXBMFYSA-N 433.375 4.779 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1507987845 LTVWKCIGKBBVPU-RDGPPVDQSA-N 428.552 4.916 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](CC)N1CCCC1)C1CC1 1507990952 QBDKZPVCZCGMGX-SFHVURJKSA-N 429.996 4.636 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc(C)c(OCC(=O)OC)c(C)c2)C(C)(C)C)cc1 1517425978 ZKLHANZNMOKALB-UHFFFAOYSA-N 439.552 4.861 30 10 IJEE C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)COCc1ccccc1 1519683468 FQHIOTQWKPSOMU-IBGZPJMESA-N 439.987 4.787 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1520226169 HNGDJOPQMDUPOB-YUXAGFNASA-N 439.629 4.744 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(CC)cc3)c3cccc(F)c3)cc2C1=O 1523228689 HDYCLPRJKGPAQQ-XMMPIXPASA-N 442.490 4.690 30 10 IJEE C=CCN(C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2)C(C)C 1526151338 ITYRYXVXVSIHNF-UHFFFAOYSA-N 429.380 4.798 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cc(F)c(Br)cc2F)cc1OC 1532057822 WQSHEEUVTGAPDT-FNORWQNLSA-N 438.268 4.630 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cn2c(-c3ccccc3)c(C)sc2=O)C(F)(F)F)cc1 1532570216 NMVSRFHTEXFLLJ-HXUWFJFHSA-N 431.435 4.713 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)ccc2-n2cncn2)cc1F 1533020271 ABCPTAQPTCVIQK-UHFFFAOYSA-N 433.830 4.976 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)NCc3cc(F)ccc3Br)c2)c1 1534404598 BVUQHHJLCJIQGK-UHFFFAOYSA-N 439.284 4.969 30 10 IJEE O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC(c2cccc(F)c2)=NO1 1535020136 GSXUXOKHYOUYCN-HZPDHXFCSA-N 434.311 4.757 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(OCc2nc(C)no2)nc1)c1ccc(C(F)(F)F)cc1 1536399756 XQQHDVIICFUIRD-SFHVURJKSA-N 446.429 4.808 30 10 IJEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccc(Cl)s1 1539125572 OIONQWDWVYKADQ-SFHVURJKSA-N 428.945 4.555 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCN(CC(C)C)C1 1539385382 YZSOUUNUQUGKOY-JTHBVZDNSA-N 439.623 4.939 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1539504213 BMTFTNUUDXDSGZ-QUCCMNQESA-N 442.629 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1nnc(C)s1 1539547288 WSHBMYQSSDNONN-XMMPIXPASA-N 434.613 4.637 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(=C)CC1 1539580306 WNLPSENYSSOQGY-KRWDZBQOSA-N 447.377 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H](C)CCC 1539620092 JDITXAYVHQUPKE-HMFYCAOWSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1539632950 VZPJUPHJENDLPB-JTAQYXEDSA-N 426.580 4.981 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1539846199 BBAXEPOSIGKGOA-LJQANCHMSA-N 436.478 4.666 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1539903399 YLPVEYOUXDAISO-QFIPXVFZSA-N 445.615 4.539 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C)[C@H]1C 1540004486 AAPGBJOTEXRSQL-MSOLQXFVSA-N 449.665 4.689 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCSc1nccs1 1540068824 BRYCHWKVZCIOAL-UHFFFAOYSA-N 438.582 4.861 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1540112665 ZJTWSJIKIPPUPQ-NRFANRHFSA-N 428.024 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCN1CCC(C)CC1 1540129091 RTNOTQDMMNRWBO-UHFFFAOYSA-N 434.632 4.663 30 10 IJEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)c1cccs1 1542053467 DQXMUGAMXPGZIT-QGZVFWFLSA-N 431.569 4.740 30 10 IJEE N#Cc1ccc(CSCC(=O)Nc2ccc(Br)c(Br)c2)cc1 1545045150 HFGDJTIMBKJTMM-UHFFFAOYSA-N 440.160 4.955 30 10 IJEE CCN1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H](C)CC#N 1547678646 HRFCIHZCJIXTQK-LEWJYISDSA-N 438.620 4.512 30 10 IJEE C=CCCSCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 1557398184 PKDYOKZCZHZCRJ-UHFFFAOYSA-N 439.364 4.990 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1 1562371245 XPJOTQGAHKNPTR-LJQANCHMSA-N 441.572 4.638 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 1563738268 UCKJQMPXOBYVPG-QFIPXVFZSA-N 441.531 4.982 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 1583075730 GEJRSKFUOOOMRI-QRWLVFNGSA-N 431.870 4.817 30 10 IJEE C=CCOc1ccc(CN(C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1585443561 XAGHTXYGCYKTHS-HXUWFJFHSA-N 428.573 4.992 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 1587230313 ZDVBNZSKSRIDEF-XXBNENTESA-N 426.582 4.685 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(COC)CCC1 1587567592 HWQKKZPYIQCTFI-LJQANCHMSA-N 431.584 4.627 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1OC 1587798054 APDAFWSNYLSJLE-SFHVURJKSA-N 446.889 4.931 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)Cc1cccs1 1588083195 BQYPDLGADJOCFJ-RTBURBONSA-N 436.556 4.570 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3nc(C4CCCCC4)cs3)CC2=O)cc1Cl 1588153611 FMHMYTBDALLTBS-OAHLLOKOSA-N 428.945 4.707 30 10 IJEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1589096398 BNFYIYMMSQWOSK-JTHBVZDNSA-N 438.641 4.597 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1594497584 JKUPNAFAVSTLHN-OALUTQOASA-N 442.608 4.665 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(SC)CCOCC1)C1CC1 1595026334 JHVHGCHWWAOUFK-KRWDZBQOSA-N 446.592 4.624 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(F)cn1 1595075437 FMYLUBKHZIHSQS-UHFFFAOYSA-N 433.487 4.630 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1cccc(F)c1F 1595156588 NRKNYWOKJIBAMK-SFHVURJKSA-N 444.551 4.947 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1596467178 GTMWKGIZMRWZPG-HZPDHXFCSA-N 436.478 4.563 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)cn1 1598357327 FWBHSHQJJCHPQS-XMMPIXPASA-N 447.612 4.652 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)CCCCC1 1611728565 CGQRJDPEDWWDDZ-MOPGFXCFSA-N 442.583 4.560 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCC(C)CC2)cc1 1613778601 CZVRTLPQSATQGF-AREMUKBSSA-N 434.632 4.760 30 10 IJEE Cc1cc(F)c(C(=O)COc2c(Br)cc(Br)cc2C#N)cc1F 1615016849 CMCGNRZCSNOVKJ-UHFFFAOYSA-N 445.057 4.932 30 10 IJEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@H](C)c3ccccc3)C[C@H]1C)C2=O 1615243674 OYUYSZCZONPIPF-KPVUDJQRSA-N 441.911 4.515 30 10 IJEE C=CCC1(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCCC1 1624190937 YURRLJZDIFTFGG-UHFFFAOYSA-N 430.545 4.564 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 1625220703 OBFRFAISHDIFON-OXQOHEQNSA-N 435.996 4.893 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 1625487078 WXCBHFURGWRUHE-RTBURBONSA-N 432.973 4.914 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 1626392812 FUEZPMJSVAKJDA-GOSISDBHSA-N 444.963 4.861 30 10 IJEE CC(C)(C)c1cc(CCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(C(C)(C)C)c1O 1628796609 IEFJWXIUDZIQMA-HXUWFJFHSA-N 449.595 4.866 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 1629177277 AWDYKCFMKWZYDV-INIZCTEOSA-N 433.892 4.506 30 10 IJEE C=CCCC[C@@H](C(=O)N1CC(n2cc(-c3ccc(OCC)cc3)nn2)C1)c1ccccc1 1632422689 OWTJDGMDIBIFPG-XMMPIXPASA-N 430.552 4.867 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)C1 1640066516 RGPGFCGLHLZNBC-HNNXBMFYSA-N 431.330 4.747 30 10 IJEE CN(Cc1ccccc1)C1(CNc2ccc(C#N)c(Br)c2F)CCOCC1 1640377625 NCBJLIMAGVNBIS-UHFFFAOYSA-N 432.337 4.553 30 10 IJEE C=CCn1c(SC[C@@H]2C[C@H]2C(=O)OCC)nc2scc(-c3ccccc3)c2c1=O 1640693277 RTMLVGISQYTHHW-JKSUJKDBSA-N 426.563 4.602 30 10 IJEE C=CCn1c(SC[C@H](COC)c2ccc(Br)cc2)nnc1-c1cccnc1 1640790761 ILLHWWHKIZIPJG-KRWDZBQOSA-N 445.386 4.811 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 1642539978 GPBWPJQAIQFHME-RPBOFIJWSA-N 428.532 4.958 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 1646624051 JLTONSBKMLMUGB-FZEVHQGJSA-N 445.541 4.600 30 10 IJEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(C)C)C2)s1 1649604388 FMECCTISAZSEGL-FQEVSTJZSA-N 434.613 4.951 30 10 IJEE C[C@@H]1CN(CCOc2ccc(CCNc3c(Br)cccc3C#N)cc2)C[C@@H]1C 1651694958 BSYUERYEVYQFIM-HDICACEKSA-N 442.401 4.942 30 10 IJEE C#CCNC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)cn1-c1ccccc1OC 1651777101 BPWDPZMZUPBEKR-UHFFFAOYSA-N 446.359 4.696 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1 1653565292 GMOWYGYSVQMRIE-UHFFFAOYSA-N 432.589 4.846 30 10 IJEE COc1cc(OC)cc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 1654197109 GYHFOUOBPMRPJT-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCCn1cc(CNCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nn1 1655546213 PSLRNJYLZKOCBN-UHFFFAOYSA-N 432.959 4.693 30 10 IJEE C=CCOc1c(Cl)cc(CNCCOc2ccc(Br)cc2)cc1OC 1657146700 GDDAIRBZBACKTD-UHFFFAOYSA-N 426.738 4.845 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 1657438409 UULKOOBQGVMUFF-IAGOWNOFSA-N 429.358 4.687 30 10 IJEE N#Cc1c(NC(=O)CCN2CC[C@H](c3cccc(Br)c3)C2)sc2c1CCC2 1658702154 HIXPFSSJUKOKJJ-HNNXBMFYSA-N 444.398 4.689 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@H](CCOC)NC(=O)OC(C)(C)C 1658816538 ONZKRMNDXNKMPG-QGZVFWFLSA-N 445.373 4.506 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 1659852895 NCNBJHQQURSNLU-UHFFFAOYSA-N 435.712 4.964 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCc3cccc4c3OC(F)(F)O4)c2)s1 1669370277 FIOXQZVQINGXGH-UHFFFAOYSA-N 427.432 4.608 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 1669536837 NPSPIZMBGQWHFG-UHFFFAOYSA-N 431.511 4.888 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1670411790 RWNITXFWAVFNEG-UHFFFAOYSA-N 447.560 4.772 30 10 IJEE Cc1cc(NC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c(C#N)cc1N(C)C 1670675347 GRDUYEGZJLEBCV-UHFFFAOYSA-N 441.373 4.891 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@@H](CC)c2ccc(Br)cc2)CC1)c1ccccc1 1674025372 CYYPMRMUGMAPMJ-YADHBBJMSA-N 440.385 4.602 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 1674718339 NERHDYMTOXJSJY-UHFFFAOYSA-N 447.377 4.990 30 10 IJEE CN(C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O 1677859981 AKXTYSUBJCMWAJ-QGZVFWFLSA-N 430.961 4.840 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cn2)c1 1679281544 HZJYTDWNLWCFQA-XLIONFOSSA-N 443.345 4.572 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)n1 1679665602 SDFJVKIMXWRCQW-UHFFFAOYSA-N 433.383 4.867 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1 1680581669 WAVPWUKNMJUBCG-OAQYLSRUSA-N 443.588 4.505 30 10 IJEE C#C[C@H](NC(=O)NCC1(CCOCc2ccccc2)CC1)c1ccc(Br)cc1 1681621097 UOVOPIYRJODTFT-NRFANRHFSA-N 441.369 4.810 30 10 IJEE C#CC[C@H]1CCN(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)C1 1685392064 IAQVRDMPZWRSKT-HNNXBMFYSA-N 444.432 4.714 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 1687036812 WEHVKTAJPQTWNI-APWZRJJASA-N 448.405 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(OC2CCCCC2)c1 1689835167 HMHWSRGWQVSVDU-IBGZPJMESA-N 445.567 4.566 30 10 IJEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCSC2(CCCCC2)C1 1689938682 SRWNJTBWWOSPIA-UHFFFAOYSA-N 428.577 4.666 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCCC[C@@H]1C 1689948483 XHDNDBYCGLVEBV-VQTJNVASSA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCC(C)CC1 1690086002 MWYSYUBESAYYQQ-UHFFFAOYSA-N 446.064 4.805 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(F)F)C1 1690230047 PBGOUZZZJICMFZ-INIZCTEOSA-N 425.321 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690250413 HGWKYXHAYPIUAR-RQGSJKACSA-N 448.533 4.679 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CCOc1ncccc1Cl 1690268433 KUHWWGMZBJWLTJ-UHFFFAOYSA-N 425.964 4.707 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690366016 NJGCHVHMRITBPD-KRWDZBQOSA-N 445.995 4.916 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1690382157 DMPGLKROLINPIM-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690406837 VEJQPMXFGDQZJL-OYRHEFFESA-N 437.632 4.724 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1690599071 LOFNKVCVAFDHMX-YKSBVNFPSA-N 448.640 4.587 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)COc1ccccc1OC 1694049917 FCZARVFRGGJDDF-RBUKOAKNSA-N 425.577 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CCc1ccc(Br)s1 1705499276 OMEYXABSXVDVMO-INIZCTEOSA-N 443.414 4.588 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)S[C@H](C)C1 1705543308 BUHGCNIPQLBJTF-GASCZTMLSA-N 439.412 4.908 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCN(C)C1CCCCC1 1705594725 PFKOBJPWJPPBOS-UHFFFAOYSA-N 438.019 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](CC)N1CCCC1 1705605650 QETXLDWEARIFEY-NRFANRHFSA-N 448.640 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C(CC)CC)no1 1705618400 FTPQNEIBBCEUKS-TZIWHRDSSA-N 427.593 4.596 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](CC(C)C)N(C)C 1705669224 GQXUQUAFJSZKCC-KDYSTLNUSA-N 444.627 4.770 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C)[C@H]1C 1705695015 GYWYOBRJJYKPMS-QWIQJREVSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC(F)F 1705696073 LIXMFDFBRIVPFP-LIRRHRJNSA-N 440.922 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705705510 IIXWXLLBHSWSCQ-BWKNWUBXSA-N 449.574 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCOCC1 1705786175 HYNANTVWEHTMFR-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC(C)=C(Br)C1 1705828016 YDECGNGCRSQZCU-UHFFFAOYSA-N 431.378 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCc1c(C)noc1C 1705869853 HASQVTPHICGCDJ-UHFFFAOYSA-N 442.361 4.734 30 10 IJEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)Cc1cccs1 1706427239 HLHLNRSEGJXPAX-CVDCTZTESA-N 449.624 4.866 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)SC 1708672556 COCUHSJJXKZGAD-RTWAWAEBSA-N 439.629 4.601 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C 1710402400 BTARKIHEFPACNC-BBTUJRGHSA-N 427.618 4.598 30 10 IJEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1 1712727080 ACVZQMCBHTZPTN-QGZVFWFLSA-N 433.537 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1722281681 JJAAFWQXIKSMKD-KNQAVFIVSA-N 449.002 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1722303514 PIDYCUQVBVFSRJ-RBUKOAKNSA-N 446.064 4.802 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1722400208 JRXGOBDLRLKMGW-RUZDIDTESA-N 429.612 4.544 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CCCCC1 1722465864 VGHYBVYPPSUBRU-UHFFFAOYSA-N 433.021 4.893 30 10 IJEE C=C(Br)Cn1c(N(C)[C@H]2CCCN(c3ccccc3)C2)nnc1C(C)(C)C 1722488095 AWLZHENPXONMOE-SFHVURJKSA-N 432.410 4.589 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2cc(C)on2)nnc1C1(c2ccccc2)CCC1 1722489357 ORBJMGCKMUCMSO-UHFFFAOYSA-N 442.361 4.590 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1722652717 NIYDMIUTFDZABV-RBUKOAKNSA-N 428.024 4.798 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1OCCC1(C)C 1722677579 CALWABNUGCNHRE-SFHVURJKSA-N 439.387 4.706 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1722684282 GKFYZYMVMCFHIB-UHFFFAOYSA-N 425.817 4.974 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](C)N2CCCCC2)C1 1722714594 IMGIKTYINYBLRR-PMACEKPBSA-N 444.023 4.644 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1Cc1ccnc(C(F)(F)F)c1 1729396335 DDJJCIDIWFUKRG-UHFFFAOYSA-N 426.446 4.516 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCc2sccc2C1 1740576755 FVAGRSQXLGPZJP-UHFFFAOYSA-N 434.609 4.890 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1csc(CC)n1 1740582430 OBSJMEQRXFMKMB-UHFFFAOYSA-N 444.402 4.776 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nc(C)c(C)s1 1740600221 JCWHAOMHCKYPKT-INIZCTEOSA-N 444.004 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCC1CCOCC1 1740724953 KPTCVUIQCFVUJG-UQBPGWFLSA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCS1 1740725615 SJIWUIOVGYZYQF-XTQVGHSUSA-N 428.577 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](OC)[C@H](C)CC 1740727403 KGNXJKXLBUFERV-BVZALQNUSA-N 432.515 4.600 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740741303 IBQKLVPGQNAJDV-MRXNPFEDSA-N 449.393 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1740764861 KODFVFHKVDVDHJ-WBVHZDCISA-N 429.531 4.893 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](OC)C(C)(C)C 1740768582 MMDPQGYTVFXMBZ-QGZVFWFLSA-N 438.414 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccsc1)N(C)C 1740770188 JYINHFSLLAXDCS-GOSISDBHSA-N 431.009 4.760 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740778746 CGZPMKIKEMQTAN-BTXHWTSGSA-N 445.007 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C2CCOCC2)C1 1740849663 RMYUZQLNACPNOG-JOCHJYFZSA-N 438.616 4.733 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740860884 TWRMMWYABDIQKK-OALUTQOASA-N 429.996 4.993 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCO[C@H](C)C1 1740921575 YVYHVGSAQGDJQC-RZUBCFFCSA-N 442.579 4.709 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(COC)cc1 1740923220 GOBMWVAMNUFHSG-NRFANRHFSA-N 438.597 4.621 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCCC[C@@H](SCC)C2)cc1 1740968352 IEOOOJUZNWGIEA-FGZHOGPDSA-N 442.629 4.855 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1740969312 MVRBJAQUXHUZIT-PMACEKPBSA-N 437.613 4.997 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740996864 JVAGXOAZNDLVLB-MJGOQNOKSA-N 427.574 4.789 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC(C)(C)C2)C1 1743065541 CMTJEDQHTFIIMC-HXUWFJFHSA-N 434.632 4.954 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(CC)(CC)SC 1748828995 QZSLEDRGVQTAOE-UHFFFAOYSA-N 431.609 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1C 1749140709 SAASPCBIOLLCJJ-WWNPGLIZSA-N 442.579 4.975 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1749154537 WATBGPRRZCNROZ-SFHVURJKSA-N 443.555 4.905 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2c(F)cccc2OC(F)F)CC1 1749335320 OTDOVDWZQBPJSA-UHFFFAOYSA-N 429.446 4.531 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccnc(SC)c2)CC1 1749348054 KIJDLMYNPYNZOI-UHFFFAOYSA-N 435.597 4.733 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](CC(N)=O)C1 1749393365 SCLURXGGFCOEQN-HNNXBMFYSA-N 436.387 4.700 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1749467455 PPASTCFVHXDCQI-RXVVDRJESA-N 431.378 4.535 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1oc(CCC)nc1C 1749474156 XITGRHOXGSHDHY-UHFFFAOYSA-N 436.379 4.689 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)c1ccc(OC)c(OC)c1)C1CC1 1749517708 SKIMDUZVUIWSFY-OAQYLSRUSA-N 440.588 4.670 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1(OCC)CCCC1 1749531510 IQTBSPFZHUHXTP-HSZRJFAPSA-N 449.599 4.933 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(COC)cc1 1749551283 VBRZJVCBABVCIP-UHFFFAOYSA-N 433.581 4.732 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H]1C 1749595862 LMNRMOAWOMJUMB-DLBZAZTESA-N 433.394 4.783 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1749754315 KBRCABGCOJJNHP-TZIWHRDSSA-N 430.593 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCSC1(C)C 1760098710 WEESOTHEOWZJQH-GBESFXJTSA-N 442.629 4.806 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760160146 ZVPXMDKIOZRZBN-LJQANCHMSA-N 433.021 4.889 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1760286586 PANLUINAMIYWIR-QFBILLFUSA-N 433.046 4.969 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1760311219 LONRDHBTEKADET-GCJKJVERSA-N 445.405 4.749 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1760346743 DDVVRCXMIISEMO-FQEVSTJZSA-N 437.613 4.911 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCNC(=O)[C@@H](C)CCC)CC1 1760383332 NEGAWMAHFLWVEU-IBGZPJMESA-N 446.599 4.511 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1760390851 MZUVYDJKJRLTRP-NRFANRHFSA-N 428.024 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1760400414 AGMRHYIQEROYSI-DEOSSOPVSA-N 437.975 4.612 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)CC1 1760404954 KRHZHUNIYHRCAX-QGZVFWFLSA-N 446.555 4.540 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(OC)nc2)CC1 1760405801 HDAWMLZYTGIZMY-UHFFFAOYSA-N 435.597 4.733 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)CC)C1)c1ccccc1 1760418405 RVNADAPYXSLWTB-FCHUYYIVSA-N 447.583 4.701 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC=CCC1 1760485720 OHJOABVSZSBHKU-AUSIDOKSSA-N 428.602 4.541 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCC1 1760497346 BMXHJGLYOLEHAW-SLFFLAALSA-N 427.593 4.584 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(F)(F)F)c2)C1 1760546530 QDQSUPUGEAUAFC-LJQANCHMSA-N 448.514 4.779 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1760561130 QVTOKGXEIYUALI-LJQANCHMSA-N 433.021 4.771 30 10 IJEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)C[C@@H]1C 1766986702 HONDLRSGTNWMKA-OALUTQOASA-N 448.640 4.775 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2ccccn2)C1 1771431166 CBTBFVDCLSZBEQ-NRFANRHFSA-N 446.624 4.911 30 10 IJEE O=C1Nc2ccccc2/C1=C1\SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 1772737732 RDHGZFROUWCBTH-TYHFKYJTSA-N 432.892 4.866 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)COc1ccccc1OCC 1861635405 GODHZGBWGWBPDK-OAQYLSRUSA-N 432.605 4.712 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)Cc1ccc(OC)c(OC)c1 1861851499 OTWJSNHORNKYGM-NRFANRHFSA-N 434.621 4.788 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862502241 UVRWMNMHYXQASU-QHCPKHFHSA-N 447.510 4.562 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862557183 FLYIFKDHMBCYLA-QFIPXVFZSA-N 447.491 4.646 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862558817 AFIIRQGLDLKNJF-XMMPIXPASA-N 442.515 4.754 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862744709 SFZDZJHEYFOHNK-QGZVFWFLSA-N 434.370 4.600 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2ccncc2)C1=O 1863770913 QQFJTXUHDVKALN-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCC(C)C)CO4)C2=O)c(OC)c1OC 1871353793 WSFCZUSYKMKQHJ-MTJSOVHGSA-N 439.508 4.527 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1OC 1871374356 GSVQIRCSSBZAQV-KSEXSDGBSA-N 434.419 4.607 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccncc2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871501260 CGPFQHMDDDYTGX-UHFFFAOYSA-N 429.572 4.565 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871885855 GIYVLTQTYCJABP-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CC 1872286517 SVZYPYQQVMPQPP-QHCPKHFHSA-N 449.661 4.504 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCCC)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330933 WWFHYJNNCFAXDK-UHFFFAOYSA-N 432.520 4.557 30 10 IJEE CCCCCCCCCCNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 1873937143 ZDCPYVMYKLKUBI-RUZDIDTESA-N 427.589 4.631 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccncc2)cc1 1874422197 ZMVDYTQHRXEGML-ZVHZXABRSA-N 448.577 4.577 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)ccc1O 1874451329 WZJCTZJTTHWBTG-BYWZACNXSA-N 444.944 4.672 30 10 IJEE COCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874469388 BUPOYCSYVWUVLV-DHRITJCHSA-N 434.487 4.969 30 10 IJEE CCCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2cccc(F)c2)c1 1874472111 NARLTHHDJTVTII-BUVRLJJBSA-N 428.533 4.569 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cccc(OC)c1 1874477948 LPSHOJIQWZPHIK-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(CC)cc1 1874490980 ULEOLIIHTAGZBK-LFVJCYFKSA-N 429.634 4.662 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)cc1 1874494873 JGZOQVWFEYBZIU-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCCOc1c(Br)cc(/C=N/n2c(C)nnc2SCCC)cc1OC 1874533327 CUSMDXHFRLPTAV-YBFXNURJSA-N 427.368 4.531 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cnccn3)c(OC)c2)cc1 1875129767 SGIYJEKHPBZAQM-RUDMXATFSA-N 438.867 4.653 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)c1OC(=O)CC 1875194144 GNJWKGAGCICHOI-CSKARUKUSA-N 448.899 4.976 30 10 IJEE C=CCOC(=O)N[C@@H](C(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875645314 BZTYUBHNNOYDEW-XMMPIXPASA-N 447.487 4.883 30 10 IJEE CN(C)CC#CC1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1891181083 MFGNQRGSJIOWQJ-UHFFFAOYSA-N 430.470 4.915 30 10 IJEE CC#CCCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892628593 IRSIMBICUWAQFN-QHCPKHFHSA-N 437.561 4.905 30 10 IJEE C=C[C@@]1(Oc2ncc(Br)cc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1903494436 NVYXUTJZRHXVFQ-MRXNPFEDSA-N 437.256 4.807 30 10 IJEE N#Cc1ccc([C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)o1 1952081523 PGDLVHCRFNTTFR-INIZCTEOSA-N 430.460 4.638 30 10 IJEE C=C1C[C@@H]1C[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1996703352 WLUPXKFMWIBRPZ-DHIUTWEWSA-N 427.633 4.880 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2016175749 MSALNOCYDMVZNY-VOLVWJTLSA-N 437.556 4.938 30 10 IJEE C[C@@]1(C2CC2)CSC(=Nc2ccc(Br)c(I)c2)N1 2029954560 NUYZLQPQRSYKTD-ZDUSSCGKSA-N 437.144 4.546 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)C1(C#N)[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 2037929194 FZDKCVLZUPLNDZ-VXKWHMMOSA-N 442.648 4.616 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2cc(Cl)ccc2Br)C1 2063050111 CRPNGKKEPJNHRO-MRXNPFEDSA-N 429.786 4.833 30 10 IJEE CC1(C)OB(c2cc(CN(Cc3ccccc3)CC3CCOCC3)ccc2F)OC1(C)C 2095820224 MLQBQEVOQQEZLK-UHFFFAOYSA-N 439.380 4.554 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(Br)cc2C#N)CC12CCC2 2174560849 XRCYTJNYFOPXFB-SFHVURJKSA-N 434.378 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)cc(C#N)c2)Cc2ccccc21 2174767482 KMQBXQIJXMRZDX-IBGZPJMESA-N 428.330 4.907 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1ccc(C#N)c(Br)c1F 2174771306 KDNNZSNQTFRJPS-CJNGLKHVSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CCNc2cc(Br)c(C#N)cc2F)C1 2205241720 NMTHKQKAJJNCJR-VLIAUNLRSA-N 438.341 4.909 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC(C(=O)C#Cc2ccccc2Br)CC1 2235715955 DEHMJCACNBUKEX-UHFFFAOYSA-N 438.337 4.793 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(O)C#Cc1ccccc1Br 2235740971 RUGQMQWYSJTFGU-VGSWGCGISA-N 434.374 4.637 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC1CCC(NC(=O)OC(C)(C)C)CC1 2235748292 YDFUGMVNACZKNB-NKELODKYSA-N 435.406 4.862 30 10 IJEE COc1cccc(C#C[C@@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1 2237742327 SHVRFSYXLNDNRR-LJQANCHMSA-N 431.330 4.856 30 10 IJEE C#CC[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2244555076 JGEPFJNUVKJHPO-IBVKSMDESA-N 444.575 4.954 30 10 IJEE C=CC[C@]1(COc2ncc(Br)cc2N)CCCCN1C(=O)OC(C)(C)C 2272100271 LAFSYAVHXZWLIP-LJQANCHMSA-N 426.355 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2c(Br)cccc2C#N)Cc2ccccc21 2285156634 SHFKZYVIBNEFJC-GOSISDBHSA-N 428.330 4.907 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296219777 RHKAUJBDQOHBKA-FFGOWVMKSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](C(=O)C#Cc3cccc(Br)c3)C[C@H]21 2296220247 WFBXHHSFLJALRV-YQVWRLOYSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2296279145 LUHZUMKSMPYEDW-FAGZOMQFSA-N 434.374 4.635 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296284096 NEBGRABLJPKZBN-QUCCMNQESA-N 435.406 4.816 30 10 IJEE C=CC[C@H](O)[C@@H]1CCN1c1sc(Br)c(Br)c1Br 2299413797 USMSRGQFIKCVOS-BQBZGAKWSA-N 446.002 4.551 30 10 IJEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC1(C)C 2318403081 UVTDEEORNPEJFL-XCZPVHLTSA-N 432.656 4.929 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1ccc(C(F)(F)F)cc1 2321109677 WSKAWFXOTFXQQJ-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CCOc1ccc(C=NNc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1OCC 2322607281 IVIYIHOJQJJTRJ-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE COc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Br 2324084640 WRQYFEWDBBJCGK-UHFFFAOYSA-N 440.087 4.845 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2324748348 ZRASXBCHTNYVMJ-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE CC(C)CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325103572 WGRMNDMOBVZDMJ-UHFFFAOYSA-N 425.437 4.569 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325330622 YEAINNOQAARMRR-SFHVURJKSA-N 444.483 4.927 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccc(OC)c1 2326878815 OJXJCIKTJCQTOX-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccn2)c1 2329320530 HDLBJDHICUNOSF-UHFFFAOYSA-N 433.512 4.704 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C#N)ccc3C2=O)c2ccccc21 2330015472 XCDRMQAMVXJPQJ-UHFFFAOYSA-N 449.466 4.684 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2O)cc1 2330653538 JJZQVRADEURITD-UHFFFAOYSA-N 431.477 4.733 30 10 IJEE COC(=O)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1 2330824351 PFUPGCJNFQAEDP-UHFFFAOYSA-N 440.544 4.967 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331048452 HOPNJZXDEGYOAP-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2-c2ccco2)c1 2331228765 VGAIULXTISNIJZ-GOSISDBHSA-N 445.548 4.698 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2)c(C)c1 2331232047 MHDVCDJPJCOHJS-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C(C)C 2331673778 GRVQQKSJGDRRDJ-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339574136 DAAYBBSFPWHBQB-LJQANCHMSA-N 444.381 4.752 30 10 IJEE CCN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339596347 INLQQYWQEIMNHZ-XYDKVEKUSA-N 443.397 4.562 30 10 IJEE CSC1(C#C[C@H](OCCN)c2scc(Br)c2Br)CCC1 2361294334 MVZLDZNBCJVXEO-NSHDSACASA-N 439.238 4.579 30 10 IJEE CN(c1ccc(C#N)cc1Br)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2365497252 INGZKSMCCNICPU-SJPCQFCGSA-N 434.378 4.793 30 10 IJEE C=C(Br)Cn1c(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 8787180 NSGQBEOHGGHISB-UHFFFAOYSA-N 442.401 4.820 30 10 IJEE Cc1cccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)c1 21078476 NLSGTVAXKLQJHX-SSDVNMTOSA-N 449.367 4.987 30 10 IJEE C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)s1 25527475 OXLCXSLVNXQXGJ-MRVPVSSYSA-N 434.768 4.638 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CN(C)CC3)c1 40569928 XHOJQPKZPPQSSQ-UHFFFAOYSA-N 432.549 4.549 30 10 IJEE CCOC1=CC(Br)=C/C(=C\Nc2ccc3oc(-c4cccnc4)nc3c2)C1=O 136101699 YXKRJMDSMVTMOV-WYMLVPIESA-N 438.281 4.968 30 10 IJEE CCCCCCOc1ccccc1C(=O)/C=N\n1c(S)nnc1Cc1ccc(F)cc1 169913631 WMYDWTLIZVTOHX-XYGWBWBKSA-N 440.544 4.973 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(OC)cc2)c1 169923656 BZOOXFBZJYQCIQ-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 169956482 MRTIGJOPNFYDOB-QFIPXVFZSA-N 447.922 4.580 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OC(C)C)cc1 169977783 IEQZNPWARWKWDC-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2)c1 170036545 LEYYWURJYDXKOD-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c(C)c1 170049909 GIEQZICBBFSTHU-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N2CCC[C@H](C)C2)C1=O 170055079 ZIUMFUWXFWITNO-IBGZPJMESA-N 442.600 4.876 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)s1 170081279 YODLNJBAGXELQC-SFHVURJKSA-N 440.908 4.902 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccco1)c1ccc2c(c1)CCO2 170096879 NCLIUDIXEWCLPI-JOCHJYFZSA-N 449.890 4.689 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1OC(C)C 170151402 DBAHTXOLZGLWMK-WAIKUNEKSA-N 435.520 4.786 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)c1 170182849 DXZSJTVAWFNTBE-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170199616 FHTRFPWQIFFHBM-OAQYLSRUSA-N 432.382 4.889 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCCOC)cc1 170266831 YNQJXMHAMFUNMH-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccco2)cc1C 170279489 BGEZHDLNAXWVKN-QHCPKHFHSA-N 446.503 4.836 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccco2)c1 170295360 CEQYGHXXOJUDJS-QFIPXVFZSA-N 441.524 4.708 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccncc1)c1ccccc1 170357016 VOLJKQGIBRODTA-LJQANCHMSA-N 440.377 4.763 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)ccc1O 170465974 BGYZSDLIRVHHTC-XMMPIXPASA-N 437.536 4.919 30 10 IJEE C=C(COCCC)[C@@H](NCC)c1cc(I)ccc1Br 387482416 WJTZKENHNBLMOQ-OAHLLOKOSA-N 438.147 4.687 30 10 IJEE N#CCCn1cc(CN2CCC[C@H]2c2ccc(Br)cc2)c(-c2ccncc2)n1 435126888 SBLSCHXMFHOJAK-NRFANRHFSA-N 436.357 4.958 30 10 IJEE COc1ccc(C)cc1C1(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CCOCC1 465753214 NJWOWKGLZKSZBW-VWNXMTODSA-N 447.579 4.533 30 10 IJEE CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 490640514 SNGQBMVKCUMRRR-JOCHJYFZSA-N 444.466 4.759 30 10 IJEE O=S(=O)(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(F)cc1C(F)(F)F 504519028 QVHAOGUITDZFPO-UHFFFAOYSA-N 427.301 4.540 30 10 IJEE N#Cc1ccc([C@@H](Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)C(N)=O)cc1 507828751 VWFPKCJTIJEBBY-OAQYLSRUSA-N 429.867 4.586 30 10 IJEE COc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1OC 526488493 JTAIEQPROLTVPX-QFIPXVFZSA-N 430.435 4.772 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(Sc2ccc(C)cc2)C1=O 526661680 ASBXPWVMHXMMHK-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE Cc1ccc(SC2=C(N3CCc4ccccc43)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526684991 FYFBJCRILUMEFL-UHFFFAOYSA-N 437.524 4.807 30 10 IJEE CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2ccccc2n1CC#N 609175141 CIIVTHYZGIKPJD-UHFFFAOYSA-N 442.441 4.673 30 10 IJEE C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)SC1=Nc1ccc(C(=O)O)cc1 725442996 NHLJEMRULTUDOP-QGZVFWFLSA-N 434.439 4.764 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)Cc3ccc(Cl)cc3Br)CC2)cc1 733219143 WASXEFJFJLCULX-UHFFFAOYSA-N 433.733 4.587 30 10 IJEE C#CCN(C(=O)/C=C\c1ccnc2ccccc12)[C@H]1CCOc2ccc(Br)cc21 735440611 HCRRWOCYHYHGRN-LWAZDOKKSA-N 447.332 4.996 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 745155262 MGCALUGYOVZPBK-UHFFFAOYSA-N 444.466 4.757 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1=S 763334986 XHIFSDMXTBVCMR-JOCHJYFZSA-N 438.572 4.669 30 10 IJEE C#C[C@@H](NC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 811963038 FLZWKHVTGFGMNW-QGZVFWFLSA-N 438.742 4.991 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1ccco1 812179562 VDPIPXMEIDVYLY-RTBURBONSA-N 441.576 4.903 30 10 IJEE FC(F)c1cc(-c2ccc(Cl)cc2)nc(NN=Cc2ccn(CC(F)(F)F)n2)n1 1081014323 CYCAQBLJZRBCCC-UHFFFAOYSA-N 430.768 4.939 30 10 IJEE C=CCOC(=O)/C=C\c1ccc(OCc2ccc(C)cc2)c(I)c1 1084400923 QWLPOUAFMXZFBC-LUAWRHEFSA-N 434.273 4.921 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)ccc1F 1124194356 XUUKHDOUAFXTHB-UHFFFAOYSA-N 440.496 4.643 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)/C=C/c2cccc(-c3ccc(Cl)cc3)c2)c1 1125505470 NQTIBZSTFUOCMY-XNTDXEJSSA-N 428.919 4.781 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(Br)cc(C(=O)OC)c2Cl)cc1 1127302015 PMCHRKXWLYULRN-UHFFFAOYSA-N 436.689 4.544 30 10 IJEE C#CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@@H]3C)cc1 1128130258 XDHMPDPJQKEJFG-LSDHHAIUSA-N 441.549 4.990 30 10 IJEE CCCN(C)c1ccccc1NC(=O)COc1c(Br)cc(C#N)cc1OCC 1132045623 GSCNCEYPIGMQMF-UHFFFAOYSA-N 446.345 4.583 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)C(=O)OCC 1140925627 IYEQLDOZYAUVAF-QGZVFWFLSA-N 431.945 4.677 30 10 IJEE C#C[C@@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1ccc(F)cc1 1141325815 WOFHOYZTZIHKFQ-GOSISDBHSA-N 443.544 4.501 30 10 IJEE C=CC1(CC(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1143558862 XEBKLPKBTOYEMG-UHFFFAOYSA-N 438.490 4.666 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(F)(F)F)c2ccccc21 1148892842 SGEUVONKKYASCW-INIZCTEOSA-N 441.494 4.652 30 10 IJEE C=CCn1c(S[C@H]2CCCN(C(C)C)C2=O)nc2scc(-c3cccs3)c2c1=O 1188075370 TXELDOQENPUVNE-INIZCTEOSA-N 445.635 4.864 30 10 IJEE Cc1c(S(=O)(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)sc2ccc(C#N)cc12 1192405090 AHHLJOBGIIJGGX-INIZCTEOSA-N 445.997 4.540 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1C(F)(F)F 1208912087 ICLGMFJKIVQJST-UHFFFAOYSA-N 435.254 4.631 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 1228795906 KESBRRDXYOQDTE-FQEVSTJZSA-N 434.483 4.717 30 10 IJEE C#CCCCCC(=O)Nc1sc(Cc2ccc3c(c2)OCO3)c(C)c1C(=O)OCC 1264064205 ABFXDOQXTNDOJY-UHFFFAOYSA-N 427.522 4.685 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1269214837 KEOQCMYBYCURAY-LAUBAEHRSA-N 433.470 4.998 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(C)c(Br)c(C)c2)CCCN1C(=O)OC(C)(C)C 1271610455 AISFJSNBWORQOC-NRFANRHFSA-N 435.362 4.797 30 10 IJEE C#C[C@@H](NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccc(Cl)cc1F 1275497858 JQKXTEMJMNUFCA-UXHICEINSA-N 449.751 4.869 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1286323580 KBRFMKNJDGSVKP-AUSIDOKSSA-N 433.531 4.558 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286381671 OTRWORQINYFBOM-IFMALSPDSA-N 438.616 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC(C)CC1 1286570685 FLCPIVURVDGLPN-UHFFFAOYSA-N 439.604 4.588 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1286610919 DJCLLDXPTYJNDO-DEOSSOPVSA-N 443.680 4.696 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(SC)CCC2)CC1 1286664372 VSTJWONOAFYJBT-UHFFFAOYSA-N 428.602 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286669902 WYOJBLAOBOKZSZ-UHFFFAOYSA-N 439.579 4.525 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1286677712 IGBKFEWDBVZBMK-SNJCGAMXSA-N 438.616 4.987 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C2CC2)C1 1286692187 AHURNKMRAHAODX-MRXNPFEDSA-N 431.378 4.919 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCSc1nccs1)C1CC1 1286733234 VEHHRZUZHFUDCD-UHFFFAOYSA-N 433.006 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1C 1286744537 KTVBDHZLWVIDCF-RLSLOFABSA-N 442.579 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@H]1C[C@@H]1C 1286746697 CHMQCBCPXNMKJT-KXBFYZLASA-N 441.988 4.697 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN1CCCC1 1286747614 NYBHQXSZFAGBAW-IBGZPJMESA-N 437.563 4.910 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC=C(C(C)(C)C)CC1 1286795176 GFVLVIZURNALAK-UHFFFAOYSA-N 430.556 4.531 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(Cl)s2)C1 1286807431 OEQUOBPIRIJFBY-MRXNPFEDSA-N 432.952 4.553 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H]1CC 1286824943 CSZJSLZRWWDLIN-ZBFHGGJFSA-N 438.439 4.590 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C 1293239572 AVEDJZBHBBAVBE-CQSZACIVSA-N 430.467 4.646 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@H]1C 1300339667 QUIMAMAKMFDFMO-MOPGFXCFSA-N 430.980 4.717 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(CC)CC1 1300357497 ORKXAGWGSMMUBA-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccsc1 1300740709 BPMGGYDOGTZBFY-UHFFFAOYSA-N 433.606 4.866 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H](SC)C(C)(C)C 1300816401 NMXIEIQJDKPQTB-WMZHIEFXSA-N 430.593 4.766 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@](C)(O)c2ccco2)CC1 1301097374 VGGNZMHCKNYZLB-QFIPXVFZSA-N 444.988 4.881 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1301130339 XCPZWOKQMDZQMM-XMMPIXPASA-N 435.660 4.976 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1301170004 LHGSWDGZKZPYRK-SFHVURJKSA-N 444.649 4.737 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1301170088 NTKFQBSQHDRJCK-KNQAVFIVSA-N 437.588 4.507 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2ccc(CC)o2)nnc1[C@]1(OC(C)C)CCOC1 1301234364 JFTFTWWMTZZUGY-RDPSFJRHSA-N 428.577 4.782 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CC1(N(C)C)CCC1 1301342572 YERFZNLJCOXIDA-UHFFFAOYSA-N 432.616 4.559 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCCCC1 1301362169 BCTHBNKKXLIQQW-HXUWFJFHSA-N 443.661 4.691 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOc1ccccc1F 1301436281 YWWJETBNZSHRMJ-MRXNPFEDSA-N 426.561 4.972 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C(F)(F)F)C1 1301541992 HQHCAHUNUXZSGJ-MRXNPFEDSA-N 428.886 4.968 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301601009 LRZJDMZUPNFFHV-CJNGLKHVSA-N 446.926 4.674 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 1301603755 FQZLPIBIHLAAIV-UHFFFAOYSA-N 431.625 4.562 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C 1301980748 FUDZXVQZDUMETN-ROUUACIJSA-N 432.613 4.772 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1305310192 DFDVKEFZFSVVIR-MRBHHPDMSA-N 427.593 4.570 30 10 IJEE COc1ccc2ncc(C#N)c(OCc3csc(-c4cccc(OC)c4OC)n3)c2c1 1307364398 DWRDBXCGNZJCTK-UHFFFAOYSA-N 433.489 4.835 30 10 IJEE C#Cc1ccc(S(=O)(=O)N(C)CCCN2c3ccccc3Sc3ccccc32)cc1 1309731226 BGDPXVMKPLZGNV-UHFFFAOYSA-N 434.586 4.981 30 10 IJEE C=CCCc1ccccc1NC(=O)NC1(CCOC)CCN(C(=O)OC(C)(C)C)CC1 1310624158 JOXQNRDAZYRZAO-UHFFFAOYSA-N 431.577 4.733 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1311254617 HCIGFWNUQLKYEA-UHFFFAOYSA-N 437.378 4.912 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCOC2)C1 1321324693 HHUOKELSVAEENO-JKSUJKDBSA-N 444.988 4.631 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COC(C)(C)CC)c1ccc2c(c1)OCCO2 1350085672 PZGIRYIGDOKKJQ-UHFFFAOYSA-N 425.525 4.761 30 10 IJEE C=C(C)CCC(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1350597559 BGMKDEDCTUKSGW-HTAPYJJXSA-N 435.973 4.990 30 10 IJEE C#CCOc1cccc(OC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)c1 1352968965 GBONYIYMWOSPKR-UHFFFAOYSA-N 430.291 4.929 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cncc(OC)c1C)c1ccc2c(c1)OCCO2 1355189750 FVDMMYHKAMEFTK-UHFFFAOYSA-N 446.503 4.582 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(C)nc1-c1ccccc1 1358208250 MBSWCEGQKUGEKJ-UHFFFAOYSA-N 428.305 4.817 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCN1CCC 1358899217 JIYHFUQBBFLRCC-NHCUHLMSSA-N 425.646 4.601 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1C1CCC1 1358906969 ZBCILOYLFRCFSW-HXUWFJFHSA-N 438.572 4.543 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1359100582 DGPMXFGLNWBTHP-DYQZNNLLSA-N 444.645 4.551 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 1359138657 ZVPQHPYLJIQPED-IYBDPMFKSA-N 440.389 4.852 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H]1CCSC1 1359223474 MCZYPMXYGDCQSC-FUHWJXTLSA-N 432.659 4.666 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1359243873 HSLSKJXWBGDGMS-JYFHCDHNSA-N 438.616 4.982 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1CCOc1cccc(C(F)(F)F)n1)C1CC1 1359248877 GAUNPQMTQSCHLF-UHFFFAOYSA-N 429.446 4.593 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@]2(CCSC2)C1 1359289009 UMIAWRSCTLKBDD-JOCHJYFZSA-N 433.021 4.771 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](COC)C1 1359338133 MQZAGSXEIQEQIW-KRWDZBQOSA-N 432.659 4.667 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1359341541 ZZTFHODUHXKXSZ-OAQYLSRUSA-N 434.613 4.649 30 10 IJEE C#CCN(C(=O)Cn1c(C)cc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 1360557349 VMQVNAAJNWGFPH-OAQYLSRUSA-N 437.337 4.698 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1435133546 INCSGDRLHWHSTC-UHFFFAOYSA-N 446.657 4.607 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 1436641463 PRFPJYLKGKBDJV-UHFFFAOYSA-N 441.329 4.734 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)c1ccccc1 1439948528 ATDDGWFODHFKJX-SHZVTRLKSA-N 426.307 4.595 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)cc1 1440893712 RPYFUCOJFUFDBD-UHFFFAOYSA-N 430.508 4.775 30 10 IJEE C#CCN(C(=O)c1ccnc(-c2ccccc2)n1)[C@@H]1CCOc2ccc(Br)cc21 1456451151 STUNWKIUARATRW-HXUWFJFHSA-N 448.320 4.505 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)C1 1457928132 WUKYJXGWRQZIEW-HNNXBMFYSA-N 436.936 4.708 30 10 IJEE C=CCn1c(SCCCCC2(C)OCCO2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458738847 YGGZKZPGWNQRHE-OAHLLOKOSA-N 434.627 4.794 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1OC 1461093302 WNGFSDFWNVHMIN-IIBYNOLFSA-N 425.411 4.623 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)C(=O)OCC 1468125134 KIGGLIPTWCHXAB-OAQYLSRUSA-N 448.519 4.547 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc(Cl)cc1F 1468520908 MGYVIZRKBKZAMG-HXUWFJFHSA-N 427.838 4.979 30 10 IJEE C=CCC1(C(=O)N2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)CCCCC1 1468729465 WXIQMQSDNMGGCU-RTWAWAEBSA-N 434.621 4.824 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](C)Cc1ccc(C(F)(F)F)cc1 1470357360 GXPYFVGZMHNIBR-VQIMIIECSA-N 440.506 4.792 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1 1470662838 KWEGVPYKFPTEQO-MGPUTAFESA-N 446.776 4.603 30 10 IJEE C#CC[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1 1478478791 WIBYIQYPZYGXMJ-UWJYYQICSA-N 426.358 4.573 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCC[C@H](C)C1 1507748796 UPGJKALAYVXKMP-IBGZPJMESA-N 442.629 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1507809420 VAEVKYJTFLPEKO-HDIOYNLWSA-N 432.515 4.586 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1507931749 FTRLIOQXQPTNEM-UHFFFAOYSA-N 435.616 4.920 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C 1507939448 NNMLDNQOWACUDJ-AWEZNQCLSA-N 437.357 4.817 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCCN2CCCC2)CC1 1507944758 XURBVYOVDLSMKJ-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1Cc1cscc1C(F)(F)F 1507986684 SNMRNRQUQSDRFG-UHFFFAOYSA-N 426.439 4.747 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1NC(=O)CC1(C)C 1508008576 HGLNBPGZFCXSFB-OAQYLSRUSA-N 449.624 4.676 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CCc1cn[nH]c1 1508027816 PAXDYBICWRFFTK-UHFFFAOYSA-N 440.910 4.532 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCOCc1ccccc1 1508047223 MZWOTHTYPHRGNJ-UHFFFAOYSA-N 433.375 4.608 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCC2=CCc3ccc(OC)cc32)C1 1508123792 KAMUJPAAEJAFDH-QFIPXVFZSA-N 436.600 4.686 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(N(C)C)CCC2)c1 1510704324 DQFLEFVYWYOEFX-FQEVSTJZSA-N 438.620 4.512 30 10 IJEE COC(=O)c1c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)sc2c1CCCC2 1523603116 FQOCXKXJSDNFIV-UHFFFAOYSA-N 436.489 4.709 30 10 IJEE CC(C)(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(Br)cc1 1528575207 HJRBSXPQENBFGA-UHFFFAOYSA-N 427.277 4.562 30 10 IJEE CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2=O)cc1 1530993275 GXZDPYBXWAXISO-QGZVFWFLSA-N 429.442 4.911 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2coc3c(C)cccc23)c(C(=O)OCC)c1C 1532545258 MDEMJOZEUSLVAH-UHFFFAOYSA-N 427.478 4.883 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)C1 1533967161 GIUHDZFHYBEINL-QGZVFWFLSA-N 425.554 4.566 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1534092951 BHKWUCPSRGKTRB-INIZCTEOSA-N 449.869 4.678 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccsc2C(F)(F)F)nnc1-c1ccco1 1534830997 HVJIMJMBPLLHNT-UHFFFAOYSA-N 442.488 4.603 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3c4ccccc4OCCN3C(=O)OC(C)(C)C)cc21 1538659009 ZYIYEDCEPCKZLB-QFIPXVFZSA-N 448.523 4.532 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1539575222 ZCCVDUJEKDOTLZ-HNNXBMFYSA-N 443.389 4.726 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539606695 NGTYTBYJAGYITJ-JOCHJYFZSA-N 447.421 4.613 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](CC(C)C)N(C)C)CC1 1539859092 KDLRSXSXQBNGDI-JOCHJYFZSA-N 425.621 4.552 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCN(c3ccccc3F)C2)CC1 1539890220 KFWQYPGSPCIZCH-FQEVSTJZSA-N 425.596 4.935 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1540101630 JIQBMLHDTZDQSJ-CABCVRRESA-N 449.368 4.674 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cscc1C)C1CC1 1540116527 VKCSMQSRHHAGAR-MAEOIBBWSA-N 443.617 4.622 30 10 IJEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(c2ccsc2)CC1 1540863705 CEUOSAXBJWIAFU-JOCHJYFZSA-N 449.624 4.568 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1540909345 FOVWYBOAMXSWHJ-BHDDXSALSA-N 426.630 4.602 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CN(C(=O)OC(C)(C)C)C1 1543287685 YOTQQUNKDPFHAC-UHFFFAOYSA-N 444.919 4.674 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN(CC)CC)C1 1546633556 GCWOSUORVGBNQQ-AKFKNWHVSA-N 434.632 4.811 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)c(Br)cc1F 1556843946 DFJNEVUEPZAWQZ-CQSZACIVSA-N 435.721 4.871 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Cl)c(O)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1557586647 QNDKHUZDNCLUKE-QHCPKHFHSA-N 428.916 4.930 30 10 IJEE C=CCCSc1nc2sc3c(c2c(=O)n1CCc1ccc(OC)c(OC)c1)CCC3 1559337966 GDQQPTZUWVRLCD-UHFFFAOYSA-N 442.606 4.875 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C)N2CCc3ccccc32)cc1OC 1560302227 RLDJMLVXIFFQCK-MRXNPFEDSA-N 431.374 4.563 30 10 IJEE N#C[C@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1Cc1ccccc1 1560724332 GUYAHEUNGREUMC-IBGZPJMESA-N 427.392 4.934 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCCC)[C@@H](C)c2ccccc2)cc1 1562197397 LAVUIZXYTRATKF-IBGZPJMESA-N 429.586 4.888 30 10 IJEE C=CCC[C@H](NC(=O)NCCc1ccc(I)cc1)c1ccccc1 1564397040 WFEXLWHOFSZSET-IBGZPJMESA-N 434.321 4.840 30 10 IJEE C=CC1(CC(=O)Nc2cc(Cl)cc(Br)c2O)CN(C(=O)OC(C)(C)C)C1 1567092572 QQAMGXSHSUANOT-UHFFFAOYSA-N 445.741 4.560 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccc(Cl)s2)on1)[C@@H](Cc1ccccc1)C(=O)OCC 1567605977 QLJDYSIDDNUQLS-KRWDZBQOSA-N 444.940 4.859 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CSCC(=O)Nc1cccc(Br)c1 1568582298 UBSVQONXDBITKU-UHFFFAOYSA-N 447.398 4.726 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@H](c1ccccc1)c1ncc[nH]1 1570214178 MGAYOEANAXKCEC-KRWDZBQOSA-N 426.314 4.898 30 10 IJEE N#Cc1cccc(NC(=O)CCc2cc(Br)ccc2F)c1Br 1585444168 ADHHTKSIEVMDSM-UHFFFAOYSA-N 426.083 4.794 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)c1ccccc1 1586027789 PXSVBQSFXRGAIY-MHZLTWQESA-N 444.354 4.797 30 10 IJEE C#Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 1586809520 JVYJJCRTEUVMFF-UHFFFAOYSA-N 444.434 4.740 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)s1 1587549284 CNMITRTYOQSBFW-KRWDZBQOSA-N 436.046 4.744 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCSC1(C)C 1588185792 MJXOGMGHYPEGJH-HXUWFJFHSA-N 443.620 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)c1c(C)noc1C 1588280122 GPECKGZTYGTOLD-JKSUJKDBSA-N 437.613 4.999 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCO[C@@H]1CCCC[C@@H]1C 1588472568 GKYUWNKOFJWWRC-SIKLNZKXSA-N 426.580 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)CN1CCCC1 1589150900 NMOXZKXCLBEFHT-YIXXDRMTSA-N 433.644 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H](SC)C(C)(C)C 1589223795 QUWFAJHSJRYOPO-GBXCKJPGSA-N 426.630 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)CC1 1589495794 UDXFZZHDAQLQBQ-KNKQGSTJSA-N 428.552 4.775 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2CCN(CC)CC2)CC1 1594036877 YWGLVRGLLBCEMN-UHFFFAOYSA-N 445.558 4.825 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1594497320 FMWVBZYVLNGWJV-GMAHTHKFSA-N 443.680 4.865 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1595330245 PIXMJGIUOYPSKE-NSHDSACASA-N 434.288 4.624 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)c2nccs2)C1 1595705750 DPCPWLSBVQKHPM-HZPDHXFCSA-N 429.977 4.640 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c1 1616516768 FCWRJSIFTNQLAU-OKZBNKHCSA-N 444.984 4.640 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccccc1 1616817484 FGERWTQTAIKBPD-QJWGWKRISA-N 446.544 4.674 30 10 IJEE N#Cc1ccccc1-c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 1618201466 CNNDXJAIAKKVDF-QFIPXVFZSA-N 425.301 4.950 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 1618399227 FFZKHONDABOQPA-LJQANCHMSA-N 449.979 4.596 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1)C(C)(C)C 1620213773 DMAHGLMDTBYTMS-FQEVSTJZSA-N 439.629 4.887 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C 1624963340 LPBJJIZZUBCESK-AWEZNQCLSA-N 430.467 4.693 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 1625778305 LPGRFGLNBAHUCY-KRWDZBQOSA-N 434.487 4.647 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(Nc2cnccn2)c1 1626171400 JSBVHEWWIPVHCZ-UHFFFAOYSA-N 425.286 4.800 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 1626325019 OATMKHFZTFANBP-HXUWFJFHSA-N 438.524 4.544 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3ccccc3C)c2)ccc1F 1627065550 JYMVFCDCDIQHLK-UHFFFAOYSA-N 440.496 4.643 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nc2ccc(Br)cc12)C(C)C 1627127254 DNFGYYDDTSPCDK-OAQYLSRUSA-N 430.390 4.734 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)nc1C 1627230241 MOVIBOXKACQDLA-NUEKZKHPSA-N 449.646 4.601 30 10 IJEE C=CC[C@@H](NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccncc1 1628149490 YMJUZTMVCAARBJ-TZIWHRDSSA-N 438.572 4.929 30 10 IJEE C#CCN(C(=O)CCCC(=O)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1633712902 FNUHCBWAEDFJMW-HXUWFJFHSA-N 440.337 4.788 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC(F)(F)F 1634498552 OTIAJITYQWAGBW-NRFANRHFSA-N 446.469 4.929 30 10 IJEE N#Cc1cccc(C2(NC(=O)NCC3(c4ccc(Br)s4)CCC3)CC2)c1 1635147628 ADIUEFVJUBRUOG-UHFFFAOYSA-N 430.371 4.792 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1635227083 VTGPAFTYXCKTHC-GDBMZVCRSA-N 438.362 4.592 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)cc21 1636357744 HLAFBFRKGHAKML-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE C=CCCC1(CNC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CCCC1 1636901577 GBAZVMNSTYVVOD-HXUWFJFHSA-N 449.636 4.618 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)CC)cc1N)c1ccc(C(F)(F)F)cc1 1636927020 QGROCNRBUQWIKG-IBGZPJMESA-N 440.487 4.519 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 1638986634 HNTIZHJLPDSFOV-JOCHJYFZSA-N 438.524 4.544 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)cc2n1 1639187788 WAPDQTCJLQTTDW-FQEVSTJZSA-N 446.454 4.611 30 10 IJEE COc1ccc(C2=NN(C(=O)CSc3ccc(C#N)c(C)c3)[C@H](c3ccco3)C2)cc1 1652058069 DJMLQEXQNGGSAS-QFIPXVFZSA-N 431.517 4.938 30 10 IJEE N#Cc1c(NC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)sc2c1CCCCC2 1653482176 IFJIUMNRVBQMRR-QFIPXVFZSA-N 437.609 4.589 30 10 IJEE C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(Cl)cc1 1654150670 HBPMWUKQKSKDEB-PSZVPEGOSA-N 428.863 4.906 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)C1 1658675904 AUYXJMOLGXKWGD-MRXNPFEDSA-N 435.421 4.856 30 10 IJEE CC1CCN(C2CCC(NC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)CC2)CC1 1658735849 DLOCVNUEYGIKFD-UHFFFAOYSA-N 433.556 4.910 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)C(C)(C)C 1658830773 RARHASKVOMYWES-HNAYVOBHSA-N 429.952 4.522 30 10 IJEE COc1cc(OC)c(CCNC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(OC)c1 1661010505 GLAPFFCCYSAJHM-UHFFFAOYSA-N 447.491 4.741 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1ccc(CN(C)C)cc1 1662577329 OASSBMMFBFEYLV-UHFFFAOYSA-N 432.362 4.739 30 10 IJEE Cc1cc(F)cc2c1CN(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 1663573890 FJRNEQCEPJVSLO-UHFFFAOYSA-N 441.368 4.919 30 10 IJEE C#CCN(Cc1ccc(-c2cnn(C)c2)s1)[C@H]1CCOc2ccc(Br)cc21 1663980536 WFSRHIOZEBHKGN-IBGZPJMESA-N 442.382 4.870 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 1667557188 FDVPQULHRZSDMW-TZIWHRDSSA-N 433.618 4.816 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC(N(CCOC)C(=O)OC(C)(C)C)CC2)c1 1668203859 VAWXKRJXLBRQNX-UHFFFAOYSA-N 447.576 4.521 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1CCC2(CCOCC2)O1)c1ccc(C(F)(F)F)cc1 1670826251 BHQSOXNCFPXYBM-MOPGFXCFSA-N 426.479 4.740 30 10 IJEE Cc1noc(C(C)(C)NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1 1672597390 GJGROMFJWAAQRY-UHFFFAOYSA-N 428.308 4.724 30 10 IJEE C=CCC1(CNC(=O)Nc2c(C(=O)OCC)nc3c(Br)cccn23)CCCC1 1674810721 HGUZPDVGNNGKDT-UHFFFAOYSA-N 449.349 4.532 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC3(CCc4ccccc4C3)CC2)cc(OC)c1OC 1677967260 XCGIDQJPHSJVHE-UHFFFAOYSA-N 434.580 4.913 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC2(CC1)CCN2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1680279883 DOEHDLJONGNYIP-IBGZPJMESA-N 435.515 4.767 30 10 IJEE C#CC[C@@H](NC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1ccccc1 1680516171 WTHLVICBLJSIGJ-UXHICEINSA-N 438.877 4.582 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1689883944 CTQMPZZKQITULL-QHCPKHFHSA-N 449.643 4.706 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CC(F)(F)C1 1690037037 JUIBCZMZJLZPJJ-UHFFFAOYSA-N 428.552 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(OCCC(C)C)CC1 1690248867 QUPFTAUBHIJYAJ-REWPJTCUSA-N 432.653 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1nnc(C)s1 1690256650 RBNWXPXMWNQVSO-OAHLLOKOSA-N 447.008 4.877 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1cccc(C)n1 1690257754 SNVWLAPCNRYLMM-UHFFFAOYSA-N 427.556 4.684 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1690263505 DIUKBWPGJIOUPO-LJQANCHMSA-N 429.609 4.738 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1690322631 KTFUZIZWJIEJKH-LJQANCHMSA-N 437.975 4.960 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1690325608 CGHAZWWCZSLOGU-IBGZPJMESA-N 447.549 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1690439742 OEPMFYZXGXJQPP-HXUWFJFHSA-N 442.579 4.851 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@H](C)C1)C1CC1 1690537316 MLJUTXNELMBWIQ-SIKLNZKXSA-N 437.632 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc([C@@H](C)O)cc1 1690579004 CWMBAMLGSHJSRO-LJQANCHMSA-N 445.592 4.620 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2cccs2)C1 1690712083 NISJZYVMQUHDJR-HXUWFJFHSA-N 438.597 4.559 30 10 IJEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1CCCC1 1692213132 BTLGGXWOIIAMCY-UHFFFAOYSA-N 426.996 4.518 30 10 IJEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1705532321 LQHSZPMNBVNBCN-QFIPXVFZSA-N 436.600 4.573 30 10 IJEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1705654255 ATAVHGLECSSORT-OAQYLSRUSA-N 431.565 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1cccc(C)c1 1705695081 HPVZABAOEIIVSA-REWPJTCUSA-N 436.556 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCOc1ccc(F)c(Cl)c1 1705718330 JNJBESRYJDKMAK-UHFFFAOYSA-N 429.927 4.538 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705747149 GTWGYXIHBYZVKL-WFXMLNOXSA-N 446.979 4.575 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(F)cn2)CC1 1705764579 FCOOZIDBIZXYBO-UHFFFAOYSA-N 446.299 4.586 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)c2ccsc2)CC1 1705770975 BACMWEZPVLPBME-DEOSSOPVSA-N 438.597 4.600 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705795327 HNLGINZGLUSDPY-BHIFYINESA-N 429.653 4.823 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC(C)C)C1CCCC1)c1ccccc1 1705797414 WAYBAEOXDLWNEP-GGAORHGYSA-N 435.616 4.994 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(CCCOC2)C1 1705813529 KOVBGMCXNAPBKR-OAQYLSRUSA-N 449.368 4.820 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C2CCC1(C)CC2)C(C)C 1705867550 PUHPFISUHLUCES-LQDNNDEMSA-N 427.637 4.740 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1 1706448038 HHVUBYYVIDSDSV-VWLOTQADSA-N 439.604 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCCCC1 1722281358 USOHBMRGGALWRS-MRXNPFEDSA-N 428.005 4.757 30 10 IJEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1722334740 JKLKMOJTJSSKRO-UHFFFAOYSA-N 443.595 4.665 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1cccnc1)C(C)C 1722375434 LPMRYIBYADUUNT-OAQYLSRUSA-N 435.934 4.645 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@H]1CCCCO1 1722404092 PPROLTVQZWARKB-OAQYLSRUSA-N 434.540 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)c1nccs1 1722505630 OLPAVWJAHUYTIT-MRXNPFEDSA-N 427.574 4.625 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2CN(CC)CC)CC1 1722567465 ZFJZZWZHNXKDBB-UHFFFAOYSA-N 435.641 4.977 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1722605795 SJMJARFDVXUZFN-HXUWFJFHSA-N 436.629 4.565 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722612597 XHHPAMYBXBGBNG-LJQANCHMSA-N 448.571 4.563 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C1CC1 1722631389 MAEXRVFYNZHGPJ-ZWKOTPCHSA-N 432.012 4.793 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@]1(C)CCCS1 1722654122 JCXWGLSRANXEHW-VWLOTQADSA-N 449.624 4.751 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1CCC(OC)CC1 1722657118 RMORCDPVWDYPRK-BOYUCYPVSA-N 449.599 4.789 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CCc1cc(C(F)(F)F)ccn1 1722659891 GKQZSGLKAFCNSS-UHFFFAOYSA-N 433.453 4.829 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCC1(F)F 1722667213 WTWRFACQLKXMSP-KRWDZBQOSA-N 432.515 4.966 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)cs1 1729820400 FUDSPAJBGXWXAT-INIZCTEOSA-N 436.585 4.655 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1740711999 ZJNRXAMZLWUZJD-JKSUJKDBSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCS1 1740728300 UVEHNPVBYWBBMQ-YADARESESA-N 440.613 4.629 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](C)C1 1740787134 BBQOWYKXAUVPIH-OYRHEFFESA-N 449.599 4.559 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC=C(COC)CC1 1740787566 GJLXVEUOWUQERE-GOSISDBHSA-N 442.629 4.507 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc(C(F)(F)F)cs1 1740903869 OAIRRNGNPGRRCV-UHFFFAOYSA-N 437.491 4.620 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCO[C@H]1CCCC[C@@H]1C 1740923643 QXMZUERGHOUARW-ZVDOUQERSA-N 430.618 4.631 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1Cc2ccccc2C2(CCC2)C1)C(C)C 1740925700 CWUSYKOUOLJQHE-XMMPIXPASA-N 433.644 4.981 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC[C@@H](C)C2)C1 1740977056 CGGYBGPBVFMCAF-FYYLOGMGSA-N 437.632 4.547 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2C)cn1 1741327551 BINMQXJSRPEBDI-AVRDEDQJSA-N 429.572 4.803 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)C1 1743020117 GYJJTQGSLQDRNL-COPCDDAFSA-N 432.572 4.728 30 10 IJEE CCCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@H](C)C#N)CC1 1745311285 DIEDXVQITSSPLC-RTBURBONSA-N 444.624 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCN1CCC 1748872689 DMTGUMZGXZJGPJ-QFIPXVFZSA-N 449.668 4.613 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1748918068 VTUCYWJSYQCEBE-ZWKOTPCHSA-N 445.405 4.681 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCC(C)(C)COC 1748918968 UVDYRMGNXLMVCB-UHFFFAOYSA-N 433.394 4.620 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1749023428 VFEJHKZSHDNPGO-HZPDHXFCSA-N 433.419 4.556 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@@H](C)C1 1749170192 BWIWQUFSOWYEPY-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN(CC)CC)C1 1749251640 HNWLNLADHTYEDE-RTWAWAEBSA-N 446.039 4.956 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(CC)(CC)OC)CC1 1749316933 LHANJYRRZYPTTK-IBGZPJMESA-N 447.624 4.712 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1749343991 XUUDGBMDDVRSMU-UHFFFAOYSA-N 431.584 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749373302 LATLMTJGXYFAKC-OAQYLSRUSA-N 437.636 4.508 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1749449422 NLHNHIXZNWDABF-OAQYLSRUSA-N 437.613 4.995 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1sc(C)nc1C 1749499937 QYMRLGNLWCKLNW-UHFFFAOYSA-N 425.602 4.898 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1749762007 LMSVBRGHOOCKET-OAHLLOKOSA-N 431.606 4.890 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCSCC=C 1760124012 NHKUFYCAOQRPHB-CQSZACIVSA-N 425.385 4.541 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN(C)C1CCCCC1 1760125849 UYTMFWIMTDMYSZ-OAQYLSRUSA-N 439.673 4.991 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCC[C@H]1CCCCO1 1760241242 UDPJFLBWBFZWOU-HSZRJFAPSA-N 447.558 4.777 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760285355 CSNVFSMTXAVCFM-NQIIRXRSSA-N 426.630 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCS1 1760290421 FQWXBLPMQIRSBJ-GHTZIAJQSA-N 445.430 4.985 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1760317432 FZTMSHCTPKQXBB-GGAORHGYSA-N 449.599 4.582 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(C)CC2)CC1 1760406023 PAHCNHIVZZFTFC-IBGZPJMESA-N 429.609 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760408678 DZTDDBPUTJJBSJ-FQEVSTJZSA-N 449.559 4.703 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1760411173 FWDZSGDIMSTBLU-MSOLQXFVSA-N 434.588 4.512 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760431956 DZTFDHFUMMOQIQ-DGCLKSJQSA-N 432.288 4.637 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCS[C@H](C(C)C)C2)nnc1C(C)(C)C)C(C)C 1760489784 JWDDRFCXNLUEGP-SFTDATJTSA-N 433.710 4.852 30 10 IJEE CC(C)N(C)CCCn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1761164482 BHHCQOXHSAKPEJ-UHFFFAOYSA-N 434.632 4.762 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2csc(-c3ccco3)n2)cc1 1761818319 FQLPGPFKKIXKIM-QGZVFWFLSA-N 448.552 4.669 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1762712726 ADIHEJOYFGFYJM-NJYVYQBISA-N 434.632 4.810 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1 1766026434 DHSQCXVINTXVOV-UHFFFAOYSA-N 448.640 4.822 30 10 IJEE COC(=O)c1ccc(/C=C2/SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)cc1 1772738417 NXWLEPPTEKXVSM-RFWMEDTCSA-N 435.530 4.831 30 10 IJEE CCCCOC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1858698852 XQRTTZDWWWGIJF-CQSZACIVSA-N 442.541 4.506 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1OCC(=O)Nc1ccc(Cl)cc1Cl 1858813648 UNTKRTOGDOSINR-UHFFFAOYSA-N 435.311 4.612 30 10 IJEE Cc1cc(C)c(NC(=O)COc2cccnc2NC(=O)Nc2cccc(C#N)c2)c(C)c1 1858833007 SOCHBYZQLPCICN-UHFFFAOYSA-N 429.480 4.540 30 10 IJEE CC(=O)OCCn1nc(C(=O)Nc2ccc(C#N)cc2)c(Cl)c1-c1ccc(Cl)cc1 1859388174 UOJIVUVZPRBHHY-UHFFFAOYSA-N 443.290 4.544 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccccc2Cl)cc1 1862391936 LZXYGSKYWWDAOS-VFNWGFHPSA-N 427.928 4.642 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)cc1 1862523847 QLEZWQVMHJYOEM-LJQANCHMSA-N 428.326 4.992 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862537414 VBHDYIZPJVFLRA-JOCHJYFZSA-N 435.520 4.660 30 10 IJEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(O)cc2)cc1 1862590565 LGMQYRVDPYSNFB-VOIUYBSRSA-N 443.499 5.000 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Br)cc1 1862600231 PZZDASNSYUFPDF-SGTLLEGYSA-N 430.298 4.532 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 1862606587 VNLWQIKPNORDJV-QFIPXVFZSA-N 439.483 4.756 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(F)cc2)cc1 1862661363 FEBLUARMCDTHKH-HSZRJFAPSA-N 447.510 4.814 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862663412 RDTVSBIXQVFQTC-HSZRJFAPSA-N 437.536 4.822 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667673 HUSSFMYMPJGHPC-LJQANCHMSA-N 434.319 4.687 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862676782 QVEXHSXNROJMQD-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc(F)cc1 1862678579 OSBDHSAJTVVNFU-OAQYLSRUSA-N 437.467 4.825 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cc(F)ccc3F)C2=O)c1 1862948650 YZHOYUSAMAJGKY-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1 1863180010 PYXHEBDTJYYKKY-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863493448 QKJDTTCDIQOGPJ-UHFFFAOYSA-N 432.483 4.740 30 10 IJEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccncc2)C1=O 1863810488 JFCPBQKAWZKBNN-UHFFFAOYSA-N 430.552 4.793 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(Cl)cc1Cl 1864249643 WILXNYMGAQEIHE-KRWDZBQOSA-N 449.382 4.549 30 10 IJEE N#Cc1ccc(NC(=O)CCCOc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 1865931822 VBDABYMCNXEALA-UHFFFAOYSA-N 438.665 4.680 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 1866698305 YYXUXESMXRPGDE-DQEYMECFSA-N 440.547 4.593 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1cccc(C)c1C 1871156224 RXHHXKAJGLODSO-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)cc1 1871391861 ICVLZKAEXQLXJD-BKUYFWCQSA-N 434.469 4.689 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 1871968796 LWBODFNGDWBABG-JOCHJYFZSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871977473 BFQUHKZCTQDSBC-OAQYLSRUSA-N 432.561 4.735 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872210111 WIJMTRQSVGWVEO-QHCPKHFHSA-N 426.582 4.749 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCCC 1872210983 SEOAUGSWSOWACB-QHCPKHFHSA-N 428.598 4.997 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872289881 BNTXVNYQUWELEF-YADARESESA-N 440.609 4.611 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(C)(=O)=O 1872325658 ZIPWVCINUYRODO-NRFANRHFSA-N 440.675 4.831 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1cc(C)ccc1C 1872707864 LEONYYSJUBCFBS-UHFFFAOYSA-N 430.549 4.574 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 1872763034 CJJUYPCUUUHKKV-QKYXPGDISA-N 435.461 4.625 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872770186 MRYJEOGBKIGZDG-IOMROCGXSA-N 429.545 4.905 30 10 IJEE CCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(CCCOC)C1=O 1873038077 HHSLPKZKSJLAQN-UHFFFAOYSA-N 437.584 4.544 30 10 IJEE Cc1ccc(-n2ncc(N/N=C/c3cccc(OC(C)C)c3)c(Br)c2=O)cc1 1873526221 TVKWVSNCXPLNLV-FSJBWODESA-N 441.329 4.537 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2cccnc2)cc1 1874295940 BPJAOHYZKQPIJK-MFKUBSTISA-N 444.520 4.655 30 10 IJEE Cc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1 1874418488 RPJKGXIKIGYBGY-YZSQISJMSA-N 447.608 4.601 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1cccc(F)c1)NC1CCCCC1 1874422886 JSEWNBTZJRJDHZ-YDZHTSKRSA-N 443.573 4.569 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc(C)c2)o1 1874423681 YPOWWLOHZFLOHG-WSDLNYQXSA-N 438.534 4.869 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)ccc1O 1874425931 IGCGSWHRMXNJTD-ZMOGYAJESA-N 449.467 4.873 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccs2)cc1 1874437769 RRMWLNJZWDUVPM-LPYMAVHISA-N 427.599 4.850 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2C)c1 1874441985 OXGVYOOOUQSKDH-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)c(OC)c1 1874465879 FZALKYYXCKPTBH-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874522443 TXUBTHHPAPDZKD-MFKUBSTISA-N 445.548 4.615 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1ccc(CC)cc1 1874523918 OONMXSOQXLOGMD-PCLIKHOPSA-N 449.580 4.581 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cnccn1 1875098143 VCIGCAVRKLSFRO-YRNVUSSQSA-N 428.488 4.869 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875118423 VYMYOTHUTGHVEX-WUXMJOGZSA-N 448.387 4.627 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)COC)c(OC)c2)c1 1875171791 NHGQMPXUFIKVOM-VQHVLOKHSA-N 448.899 4.594 30 10 IJEE CN(CC1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1)c1ncccc1C#N 1890111381 ZFJSDAFFXSVZBK-UHFFFAOYSA-N 431.367 4.568 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2F)NCC)C1 1892685394 ZDPSGLGHGCUWLN-QGZVFWFLSA-N 427.358 4.722 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NN)c1scc(Br)c1Br 1922094072 IIBCTJAMNSECPX-CQSZACIVSA-N 432.181 4.551 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@](C)(C#N)c1cccc(NC(=O)OC(C)(C)C)c1 1940969474 ANBPZTIUHBJPSA-HSZRJFAPSA-N 432.565 4.571 30 10 IJEE CC(C)[C@@H]1C[C@@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942594306 QLWMYHQOXUSUPD-SLSDLSHTSA-N 427.589 4.595 30 10 IJEE N#Cc1cccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952779126 JWTQMFVBERTNKR-ZCYQVOJMSA-N 438.483 4.955 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)C1(C#N)CN(C(=O)OCc2ccccc2)C1 1955020171 PJDGWWGIRZESPF-UHFFFAOYSA-N 441.915 4.996 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497910 OVJIJKLFTANMGG-HZPDHXFCSA-N 436.557 4.852 30 10 IJEE CC(=O)Nc1ccc(C=CC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 2040459660 WQZKEIHMVKZQLF-UHFFFAOYSA-N 434.517 4.650 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079880519 PECZUFWMYKHKJF-GOSISDBHSA-N 433.293 4.553 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CCOC)CCCN1C(=O)OC(C)(C)C 2082241189 VKZFQEOZSOWACJ-BVAGGSTKSA-N 446.632 4.934 30 10 IJEE CN(Cc1ccccc1NCc1occc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2101329903 WJIWIVVNERLMQN-UHFFFAOYSA-N 442.365 4.558 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2118192885 UMHYNYZFQHYGNO-GXTWGEPZSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2ncc(Br)cc2C#N)(C(C)(C)C)C1 2162291653 OUGSFHJMMIUUDV-FQEVSTJZSA-N 437.382 4.801 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)c(C#N)cc1F 2174809408 ZMVDZCZPINDODE-FICVDOATSA-N 438.341 4.827 30 10 IJEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1ccc(C#N)c(Br)c1F 2174813269 UERFAZRPONAWDJ-TZMCWYRMSA-N 440.357 4.978 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(Br)c(C#N)c2)CCCCC1 2180955052 VKVKATORMWAKBZ-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE C=CCC1(NC(=O)c2scc(Br)c2C)CCN(C(=O)OC(C)(C)C)CC1 2226127111 TVPDWSQHRCMDKY-UHFFFAOYSA-N 443.407 4.895 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@@H](C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2235728406 HGBZIZQEGZNQDX-GJJHYRHESA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2ccccc2Br)CC2(CCCC2)C1 2235740505 PEVQHRGAMXBPCQ-SFHVURJKSA-N 434.374 4.779 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2247977655 AZZANYGJYSPXCT-QRWLVFNGSA-N 449.514 4.961 30 10 IJEE Cc1cc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C 2268650406 IXZHBUWKNPAJED-IBGZPJMESA-N 442.365 4.792 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@@H](O)C#Cc1cccc(Br)c1 2278734899 JMGSIWPYGSAOLT-IRXDYDNUSA-N 442.419 4.587 30 10 IJEE COCCN1C(=O)C(=Cc2cc(Cl)ccc2OC)SC1=Nc1ccc(OC)cc1 2293986889 CDOYPICALNIGSO-UHFFFAOYSA-N 432.929 4.608 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2296230773 WUUAHKLMSUNPJG-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@H](N)C#Cc1cccc(Br)c1 2296288549 IKYLAZYELWNESY-WTGUMLROSA-N 433.390 4.554 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(F)F 2296296831 RZLCZBBBKZESDH-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE COCCN=C1Sc2nc3cc(C)cc(C)c3cc2CN1Cc1ccc2c(c1)OCO2 2297506859 PDQFNCBJIYSXLX-UHFFFAOYSA-N 435.549 4.691 30 10 IJEE C=CCOc1c(Cl)cc(C=C2SC(=NCC)N(CC)C2=O)cc1Br 2313556685 IFRVPOZOMKKPME-UHFFFAOYSA-N 429.767 4.979 30 10 IJEE CCc1ccc(S(=O)(=O)N=C2S[C@@H](c3ccccc3)C(=O)N2c2ccccc2)cc1 2314396589 DTDBNDHVRRVYPP-NRFANRHFSA-N 436.558 4.815 30 10 IJEE COc1ccccc1OCc1nnc(S)n1N=Cc1cccc(Oc2ccccc2)c1 2322104213 QGETYLJYEGDIPF-UHFFFAOYSA-N 432.505 4.829 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1OCC(N)=O 2322807402 CMHPDWDDYVJVNE-UHFFFAOYSA-N 437.879 4.901 30 10 IJEE CC(C)Oc1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1Br 2323504000 BUDAYEKFEIYUJA-UHFFFAOYSA-N 445.386 4.784 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Br)ccc1O 2325592583 CVTPKXUSXIPLSH-UHFFFAOYSA-N 435.322 4.622 30 10 IJEE CC1CCN(c2ccc(NC(=O)C(=O)C=Cc3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 2325631295 BTZURXKSFUELGL-UHFFFAOYSA-N 427.888 4.706 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1cccc(F)c1 2325744944 PXKHGDRQUJQONA-UHFFFAOYSA-N 434.419 4.721 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326474149 HSBJDTILFUDCNS-UHFFFAOYSA-N 445.932 4.975 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C)cc1 2326603946 FYONBSCFWNJPKS-UHFFFAOYSA-N 444.560 4.672 30 10 IJEE COc1cc(OC)c([N+](=O)[O-])cc1C=Nn1cnnc1SCc1cccc2ccccc12 2326632638 KJUDOJPAMHBBBI-UHFFFAOYSA-N 449.492 4.531 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cccc(Cl)c1 2326797676 UGQAAPFXFCYTRX-UHFFFAOYSA-N 428.945 4.845 30 10 IJEE CC(C)Oc1ccc(C=Nn2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 2326809766 FVNKSWPGIQWEEH-UHFFFAOYSA-N 431.905 4.801 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(OC)c1O 2326906553 VRLOWCCIKABXBQ-UHFFFAOYSA-N 426.586 4.745 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(Cl)c(Cl)c1 2327849687 JTQRKTGVWRSNJI-CYBMUJFWSA-N 440.400 4.694 30 10 IJEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccnc2)c1 2329316907 AUXSINVOGCJVHG-UHFFFAOYSA-N 429.549 4.873 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)cc1 2331208080 AGSAOYCNIGFFOT-UHFFFAOYSA-N 436.468 4.638 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(F)cc1F 2331335910 XKKRNBPEWPWGHU-UHFFFAOYSA-N 448.495 4.843 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2C(C)(C)C)cc(Br)c1OC(C)C 2331358794 PNLVDRCANBRLLY-UHFFFAOYSA-N 441.395 4.738 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(F)cc1F 2331450562 YIEFZMFOXAHUGC-UHFFFAOYSA-N 438.382 4.817 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccccc1F 2331493023 MITNAIBOBMNLTD-UHFFFAOYSA-N 437.544 4.860 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1OC 2331594824 FNLVWCWKJKDQJR-UHFFFAOYSA-N 448.548 4.769 30 10 IJEE CCCOc1cccc(C=Nn2c(CCC)nnc2SCC(=O)Nc2ccccc2)c1 2331630449 OTIMWXJAYOTPAH-UHFFFAOYSA-N 437.569 4.632 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3nccs3)nnc2C(C)C)cc1 2331693732 UVQQZDPLFNHBFH-UHFFFAOYSA-N 428.587 4.594 30 10 IJEE CCOc1c(C=Nn2c(SCc3cccc(F)c3)nnc2C2CC2)cccc1OC 2331734276 DWQDQHRQUDYIDS-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE CC#CCN(C[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC)C(=O)OC(C)(C)C 2337907853 RZQGAGNGAPRLTP-INIZCTEOSA-N 443.813 4.802 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339588805 NXOOUVQGVZFIMB-PKMDAXGDSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1 2342481519 SOLODUVLNSWESZ-XMMPIXPASA-N 444.381 4.661 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360196471 RHKAUJBDQOHBKA-MDNKFWRPSA-N 433.390 4.567 30 10 IJEE C[C@@H](Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)c1cc(Br)cs1 2364939409 NVNSGDHURSSNOM-GFCCVEGCSA-N 433.180 4.855 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2 14461781 UIZAOZGOVAMMNK-HWBMXIPRSA-N 437.609 4.824 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)cc1)N2 20678540 YVVXDWCTFHCCED-RQTOMXEWSA-N 436.577 4.884 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 41285384 AWHPCGYVIBKVNW-XKZIYDEJSA-N 446.455 4.856 30 10 IJEE CCOc1ccc(C(=O)/N=C(/NCc2ccncc2)Nc2cccc(C)c2)cc1OCC 45939763 HBQMLUGSEXYVCZ-UHFFFAOYSA-N 432.524 4.586 30 10 IJEE COc1ccc(C(=O)CSc2n[nH]c(N/N=C(/C)c3ccc4ccccc4c3)n2)cc1 59021992 KUXIRSPKAWZQHL-MYYYXRDXSA-N 431.521 4.778 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(C#N)c(C(F)(F)F)c1)C(=O)OCc1ccccc1 67794564 LWMYTNWKOSVYPI-LJQANCHMSA-N 448.441 4.756 30 10 IJEE COc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1Cl 100293107 SCFNVVAQJUICIZ-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 106442470 LWTXCJQENKKRSM-MYXKAAJQSA-N 443.499 4.855 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028943 TXFZBVHCSLSKIS-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 170044767 SYBHWOKYUIQJFR-XXBNENTESA-N 431.463 4.736 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 170068688 CHNBUWXYFIEFSN-IBGZPJMESA-N 445.302 4.699 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(C)c2)ccc1Cl 170145639 PVQABECBOIPAOA-NRFANRHFSA-N 443.927 4.662 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)ccc1Cl 170163359 SPGGSIIYGRPLSC-LJQANCHMSA-N 440.908 4.584 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccn2)c1 170172569 RVCXJCAXOOEGHF-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c(C)c1 170228199 UCOOJAKFXBQYQT-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1Cl 170231184 XPCNORPARWLEBM-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1 170232028 ODNGVJNBBNVTEB-OAQYLSRUSA-N 438.911 4.616 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)c(C)c1 170239113 NZJIFRICKIDJAA-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCN(C)C 170276066 BKBGPNAGUGAXRK-XMMPIXPASA-N 428.532 4.678 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccco2)c1 170279120 SYHHMXVZECJWSS-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccco2)cc1 170289074 ACEVOEZCQWKVQQ-QFIPXVFZSA-N 433.460 4.865 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(OC(C)C)c2)c1 170347628 JGAYWJWZEZJILN-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170403024 HJZJRLXMGCBBPJ-HSZRJFAPSA-N 439.471 4.663 30 10 IJEE Cc1cccc(C(=O)[C@@H](C#N)c2ccccc2Br)c1I 235919170 CTTISSABSVDYCA-ZDUSSCGKSA-N 440.078 4.852 30 10 IJEE CC(C)Oc1ccc(N/C(N)=N/Cc2ccccc2-c2ccc(Cn3cncn3)cc2)cc1 303886446 NTSDYVDAMRTVSM-UHFFFAOYSA-N 440.551 4.707 30 10 IJEE CCc1oc2ccccc2c1CN(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446623182 HQFMYYCWPKCCSS-UHFFFAOYSA-N 432.524 4.793 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 465999808 FZBACMMWSXDRRM-SFHVURJKSA-N 428.920 4.615 30 10 IJEE N#CCSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(Br)cc1 477729297 XSDQWXHIAUAGSL-GOSISDBHSA-N 430.371 4.840 30 10 IJEE Cc1cc(F)cc2c(N3CCC[C@H](c4n[nH]cc4NC(=O)C4CCCC4)C3)c(C#N)cnc12 480114291 CVHPWLKRSJUZCA-KRWDZBQOSA-N 446.530 4.790 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508478450 RRCXABGIMXJKRQ-SJORKVTESA-N 440.523 4.634 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)c1OC 526520141 FZSSSFXXLIVHRZ-JOCHJYFZSA-N 430.435 4.772 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2ccnn2C)CC1 549691336 DMLXNCXSJZTVII-UHFFFAOYSA-N 448.615 4.848 30 10 IJEE C=CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(Cl)ccc1OC 586154814 HLHVUUPPDFCQAA-UHFFFAOYSA-N 449.016 4.580 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)cc1C 586505594 COPKOMHSKRBWOS-UHFFFAOYSA-N 436.961 4.795 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(C#N)c1 687754680 YGRNRPBSVQYGDV-AREMUKBSSA-N 444.462 4.926 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 733202648 UTEVJINXIGNAFT-IBGZPJMESA-N 443.931 4.771 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2cccc3ccccc23)[n+]2cccc(CO)c2)cc1 762437322 HOYBQMFGASWCIX-UHFFFAOYSA-O 438.532 4.815 30 10 IJEE CC(=NNc1ccnc2cc(Cl)ccc12)c1cc2c(cc1Br)NC(=O)CO2 767356758 BPACGDHVRNECQT-UHFFFAOYSA-N 445.704 4.818 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OC/C=C\c1ccc(Cl)cc1 787585674 QGBFRXNPVMQHBT-UPHRSURJSA-N 428.819 4.680 30 10 IJEE CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=Nc2ccc(Cl)cc2)S1 1084576295 XPYINKMNDOUQCC-QGZVFWFLSA-N 436.364 4.651 30 10 IJEE N#Cc1cc(NC(=O)COCc2ccnc(O)c2)ccc1Oc1ccc(C(F)(F)F)cc1 1126542734 VVTDIHHAJSXIDM-UHFFFAOYSA-N 443.381 4.625 30 10 IJEE CCOC(=O)c1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2n1 1129322292 GILLYIXUBAASCU-UHFFFAOYSA-N 441.443 4.707 30 10 IJEE C[C@H]1CCc2sc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)c(C#N)c2[C@@H]1C 1129472175 FGJOBPMHCKNDLO-NWDGAFQWSA-N 440.550 4.789 30 10 IJEE COc1ccc(-c2nc(C(=O)Nc3cccc(C#N)c3Br)cs2)cc1OC 1130068200 GSAJVHFZAZKXQE-UHFFFAOYSA-N 444.310 4.714 30 10 IJEE C=CC[C@@H](C(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1131832848 PBJTYVIZJWHUFN-DHIUTWEWSA-N 442.600 4.611 30 10 IJEE C#CCO[C@@H](C)C(=O)N(C)Cc1ccccc1Oc1ccc(Cl)cc1Br 1133217675 QNJXPVFVVVNFKG-AWEZNQCLSA-N 436.733 4.892 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 1134728334 KFFPEWCCCLOSDY-GFCCVEGCSA-N 434.115 4.625 30 10 IJEE COc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1OC 1154966538 FLZICGKHPCFIFT-UHFFFAOYSA-N 447.516 4.559 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1 1171847058 HTIHMSPVRWVRAZ-MRXNPFEDSA-N 438.424 4.780 30 10 IJEE C=CCn1c(SCCc2ccnn2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1188128165 AHSWZBBMWRBISM-UHFFFAOYSA-N 440.569 4.827 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1188361260 AFXMXLMCQODYEK-OAHLLOKOSA-N 432.261 4.511 30 10 IJEE C=C(CNC(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 1207647509 RTBZLKLVGLTZCJ-QFIPXVFZSA-N 437.540 4.830 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)OCC)c1)c1ccc(Br)cc1 1214832669 LBEMXLAUQANAAP-QGZVFWFLSA-N 435.705 4.775 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 1221986639 LZIIVFHTZZNZFM-UHFFFAOYSA-N 432.923 4.635 30 10 IJEE C#CCN(C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCc2ccccc21 1224839769 YCPZFFWBFSLDTE-GJZUVCINSA-N 439.600 4.746 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(OCc3cccnc3)c2)CCCN1C(=O)OC(C)(C)C 1264638413 ZVPPJOUNMFBYGY-RUZDIDTESA-N 437.540 4.945 30 10 IJEE C[C@@H](CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)Cc1ccccc1 1265745090 FCAIBNABNLLOQP-NRFANRHFSA-N 427.548 4.778 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 1270903522 IAKZUTQCRNOSLH-HXUWFJFHSA-N 427.342 4.811 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1 1275431010 BRGDIAWFAFWRQN-XJABCFGWSA-N 444.909 4.797 30 10 IJEE CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1277540787 AMJHJIVYASPOCK-UHFFFAOYSA-N 427.504 4.870 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1286546209 HILKPCBRIBBLBI-JUXOCIIHSA-N 439.560 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286554116 WUWRXJQBEMRNAM-OVQGTLEDSA-N 441.526 4.525 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CC1(N2CCCC2)CCOCC1 1286571171 MOPWDSGXIZMHNY-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286635826 CMNAXZXKTHPEBY-UHFFFAOYSA-N 448.036 4.515 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1286675801 UCIAFMMBODULCC-HXUWFJFHSA-N 442.579 4.851 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1286688339 QTQNRBWYHVUPET-UHFFFAOYSA-N 444.023 4.839 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)=C(Br)C1 1286702617 PHGHNSQPIJLKRA-UHFFFAOYSA-N 437.332 4.992 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 1286796566 NCVMHONLJRYYIE-JOCHJYFZSA-N 426.605 4.874 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC[C@H]1CCCCO1 1291664522 DHWJSWBSRIBSKE-WWPVKYPJSA-N 437.588 4.590 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@H](C)OC)n2)C1 1293388982 FJDUTRZMKKJYSZ-IRXDYDNUSA-N 436.585 4.655 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 1299852650 LKCIOYSEUZPCCU-OAQYLSRUSA-N 438.593 4.597 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1300650304 SWKGKLOTEYTIIP-JYFHCDHNSA-N 438.591 4.851 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1ccc(Cl)s1 1300881497 OSGOHMUSPPCVDH-HNAYVOBHSA-N 431.993 4.996 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)COC)CC1 1301071896 AFUBBEQOKVLNHL-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCSc2ccc(C)cc2)CC1 1301088841 HYSARVBRMSDXET-UHFFFAOYSA-N 425.627 4.891 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301177914 AGUROIQNSFMULN-BSRJHKFKSA-N 430.980 4.728 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(N(C)C)c1 1301362224 BVJOSADLXBKDJV-QFIPXVFZSA-N 437.613 4.888 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1301368162 YHAMHXJGBQOHGU-FYYLOGMGSA-N 438.664 4.855 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301438111 IPOCTAHFDNALCT-LJQANCHMSA-N 425.577 4.532 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(CC(C)C)C2CCCC2)cc1 1301517628 BTRPIDQVYDTSJA-UHFFFAOYSA-N 432.572 4.753 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(F)(F)F)cs1 1301956262 HNDJCOZFKNMUSD-LBPRGKRZSA-N 446.458 4.811 30 10 IJEE C[C@@H](c1ccccc1)N(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 1307665985 GVSQMIQJEJHFCG-URXFXBBRSA-N 444.604 4.725 30 10 IJEE O=C(NCCc1cc(C(F)(F)F)ccn1)Nc1ccc(OCC(F)(F)F)c(F)c1 1310623402 GGNJTIHBPGECLD-UHFFFAOYSA-N 425.304 4.545 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC(O)(c4ccccc4C(F)(F)F)CC3)cc21 1311251464 CIVLXWKFYNMRGX-UHFFFAOYSA-N 444.457 4.757 30 10 IJEE C#Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 1311262655 DDEIDHPGBDQDBT-XJKSGUPXSA-N 445.869 4.631 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]21)c1ccc(F)c(F)c1 1312538513 ZWHXZJJYRMPXHZ-PPRPKMEESA-N 433.296 4.982 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] 1352316481 AKDFFSFXDULBLF-UHFFFAOYSA-N 425.229 4.772 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(Cc2ccco2)C[C@H]2CCCO2)s1 1357352179 FVBNTKCXRFRUHS-MRXNPFEDSA-N 426.991 4.639 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSC(C)(C)C1 1358904714 KMVPTCABNRGYCZ-IBGZPJMESA-N 442.629 4.952 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@H](C)C1 1358912004 HQJAYIZPJFWPTK-SFTDATJTSA-N 443.636 4.823 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1359076491 CWLFGILQPZSCST-ICSRJNTNSA-N 446.437 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)C)C1 1359102763 FOHUXJFIHJJKQT-MSYCTHLASA-N 445.007 4.974 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1359152040 KXHYNSOSXLTDAA-MOPGFXCFSA-N 436.934 4.684 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359191345 WKZPPPKXTOCSGY-GOTSBHOMSA-N 438.616 4.822 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1359252301 MRQGLZBMNJRKPX-UHFFFAOYSA-N 449.427 4.764 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCc1c(C)noc1C 1359255990 QXTCXOVWYHEWPO-UHFFFAOYSA-N 442.523 4.758 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccnc(OC(F)F)c1 1359268822 DREVNHOPOZFVSN-UHFFFAOYSA-N 448.477 4.716 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccsc1 1359278663 BUEFXDTWSPOEKE-MRXNPFEDSA-N 428.627 4.880 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1359285410 FTGVVCJYGBJCDA-WBVHZDCISA-N 449.393 4.544 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCOc2ccccc2Cl)C1 1359324124 DBCDNVVREAQTNR-IBGZPJMESA-N 430.980 4.525 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@H](C)n2cc(Br)cn2)c1 1361103934 JXHDFWXCVPBBQL-HNNXBMFYSA-N 428.355 4.873 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)no2)cc1 1442260834 GVCBJZKHJGSLBL-UHFFFAOYSA-N 448.548 4.590 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 1444255162 IZOWTYUBEWZUQV-IBGZPJMESA-N 426.517 4.765 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccs1)C1Cc2ccccc2C1 1449401062 INCFRQAEXRZFIA-QFIPXVFZSA-N 438.593 4.551 30 10 IJEE C=CCC(C)(C)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1450191862 CXACJPVKZYVDAA-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(-c3c[nH]c4nccc-4c3)ccn2)cc1 1459262514 INZMXIMMZCSINK-UHFFFAOYSA-N 426.476 4.838 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)c1 1459856548 IQYNVAPGELJHQB-FQEVSTJZSA-N 431.458 4.712 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(C)OCCc3ccccc32)cc1OCC 1461708736 RTLRBXKSXZSONU-QHCPKHFHSA-N 446.385 4.990 30 10 IJEE C#CCOc1ccccc1NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 1466978314 FRCOZRHENKJBSW-UHFFFAOYSA-N 429.307 4.962 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1471647489 CCFDXRGBFYXQOU-UHFFFAOYSA-N 439.283 4.969 30 10 IJEE CC(C)(NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 1475623777 BXDPBHJMRLBZNX-UHFFFAOYSA-N 436.377 4.809 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Sc3ccc(OC)cc3)c(Cl)c2)CC1 1476056201 UAUOONMSTCLRMS-UHFFFAOYSA-N 430.957 4.882 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1507570571 QXMIHMYXINPYBS-XMMPIXPASA-N 449.643 4.590 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCCSCC(C)C 1507669133 SCOMDRDKQBQULM-UHFFFAOYSA-N 431.609 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@](=O)CC 1507819527 RBVCIQPOBQZWRC-MUUNZHRXSA-N 437.034 4.984 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2oc(CC)nc2C)CC1 1507896421 JGPRVMPJXDEMOK-KRWDZBQOSA-N 439.535 4.867 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507938529 FAPVMINFRFKPPA-QGZVFWFLSA-N 432.494 4.652 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507970472 IZYCOOKIWLOQFK-YPMHNXCESA-N 432.288 4.952 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1508167784 PSAQSXCIZKVCHG-OAQYLSRUSA-N 449.580 4.891 30 10 IJEE CCC(CC)c1cc(Cn2c(Cc3ccccc3F)nnc2N2CCC(C#N)CC2)on1 1513303232 ABCIFFHYYZDMIQ-UHFFFAOYSA-N 436.535 4.688 30 10 IJEE CCc1nc(C)c(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@H](C)C#N)o1 1513721990 AQOATNFBBLRKLQ-OAHLLOKOSA-N 438.601 4.779 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCO[C@H]1CCCC[C@@H]1C 1520226168 HNGDJOPQMDUPOB-NYVOZVTQSA-N 439.629 4.744 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)C(C)C 1521049934 FXOVVZMOICBFRC-QGZVFWFLSA-N 439.412 4.774 30 10 IJEE C=CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524296805 SXRUPGAIFPALPX-INIZCTEOSA-N 432.505 4.988 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1ccc(Br)cc1 1525053627 DKOTYRHSHKUFRN-JOCHJYFZSA-N 447.332 4.830 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1cccc(Br)c1 1528000838 HVJNWNRXKHJQKT-UHFFFAOYSA-N 425.120 4.958 30 10 IJEE C=C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)c1ccccc1 1532387950 QXGGWERIOCCFPF-FXAWDEMLSA-N 446.316 4.911 30 10 IJEE COC(=O)[C@H]1Cc2ccccc2N(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 1536385094 GGQCIPDCQKZKCN-IBGZPJMESA-N 446.890 4.996 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1539053529 UMIALJRNHJVDJL-XYEHWOGUSA-N 442.991 4.594 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C(C)C 1539540131 HQDWPNJZPJBQKB-XMMPIXPASA-N 425.646 4.608 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(F)(F)F 1539578955 GCWVXYCDOBVPMS-UHFFFAOYSA-N 440.267 4.709 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1539579127 HUTNGHMEKOJDDG-BQFCYCMXSA-N 449.393 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1539659535 AWZVVTANSNVCEN-CJFMBICVSA-N 425.621 4.867 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)[C@@H](C)CC)CC1 1539835948 JMTPGAAECYSLIJ-HNNXBMFYSA-N 438.439 4.656 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2Cc2cn(CCCCC)nc2C)CC1 1539853746 DBEFAYPFYWULCA-UHFFFAOYSA-N 432.616 4.963 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN(C(C)C)C(C)C)CC1 1539882157 FZQGGJVBVBLPRL-UHFFFAOYSA-N 425.621 4.865 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1539891857 LMZTVPKFDAQQTH-HXUWFJFHSA-N 431.584 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1539912424 IGGZYHKBLULECB-HXUWFJFHSA-N 433.556 4.609 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCCC1 1540050050 WHRMDGYIZFNALG-UHFFFAOYSA-N 432.616 4.851 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@](C)(CC)O1)C1CC1 1540093954 AQAFQVMTHNSITI-UTKZUKDTSA-N 448.409 4.549 30 10 IJEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Br)o1 1547031327 AVURDKCXIFDTLA-UHFFFAOYSA-N 444.333 4.521 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1557178539 LKNHRXUIRRCKTQ-GJYPPUQNSA-N 446.979 4.741 30 10 IJEE C#CCN(C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)[C@@H]1CCCc2ccccc21 1558543811 YDFUUXVUTWDSRV-HSZRJFAPSA-N 444.604 4.824 30 10 IJEE C=CCN(C(=O)CSCCC(=O)NC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1559434986 BWVQMPWACDBNAJ-UHFFFAOYSA-N 444.409 4.505 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 1559708765 BWUWDQJSKZMSFO-JKSUJKDBSA-N 426.504 4.943 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H]3CCN(C)[C@@H]3c3ccc(Cl)c(F)c3)cc2n1 1563301533 FQYCRXAYLGOOFJ-KSFYIVLOSA-N 441.938 4.829 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)C1 1570817357 WQYRSKMZYQJWFW-LJQANCHMSA-N 438.593 4.579 30 10 IJEE C=CCc1cc(CNC(=O)[C@H](C)Sc2nc3ccccc3s2)cc(OC)c1OC 1583798274 MEOVQPYXUKTTGI-AWEZNQCLSA-N 428.579 4.839 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 1585164216 SNZIFVLVBGUEJN-UHFFFAOYSA-N 447.331 4.833 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@H](C)C1 1588198551 YDDSFAUAILMHIC-SJORKVTESA-N 431.367 4.530 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCC(F)(F)F 1588453023 YRIGXPPXIKFQQJ-UHFFFAOYSA-N 435.277 4.966 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@H](C(C)C)C1 1589009147 ZLIGCEAAUMMQMR-FQEVSTJZSA-N 426.611 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)SC 1589171788 SNADDCZXJFBCBM-HXUWFJFHSA-N 433.419 4.841 30 10 IJEE C=CC[C@H](Cn1c(N2CCO[C@H](c3nccs3)C2)nnc1C(C)(C)C)c1ccccc1 1594552138 HYHXSBQPXSQCLV-UXHICEINSA-N 437.613 4.970 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(F)(F)F)CC1 1594798028 MKBJYIAOQYCDDM-UHFFFAOYSA-N 445.489 4.865 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC#N)N1CCCC1 1598264636 FYYZHUYBWCYBCM-OXJNMPFZSA-N 432.975 4.596 30 10 IJEE N#Cc1sc(N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)nc1Cl 1612112051 FDHLSQGAAFPDJJ-UHFFFAOYSA-N 434.348 4.899 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCc3c(Br)ccc(F)c3C2)cc1 1617063255 AHIPGEMZGNBVAZ-MRXNPFEDSA-N 444.348 4.590 30 10 IJEE CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 1617880582 ARYMOFGSZBKFFR-INIZCTEOSA-N 433.533 4.753 30 10 IJEE C#Cc1cccc(NC(=O)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)c1 1622737412 AKZAQORHIXMGRR-FQEVSTJZSA-N 427.342 4.952 30 10 IJEE O=C(c1cc(C(F)(F)F)ccc1F)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 1623538096 AZNMSTWADCYDII-UHFFFAOYSA-N 434.355 4.821 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1629212446 XGUFHCIBQSZPSF-MRXNPFEDSA-N 436.421 4.849 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H](c3ccccc3OC)CC2)CN(C(=O)OC(C)(C)C)C1 1632886718 LLUAPBGKBSZSJA-IBGZPJMESA-N 428.573 4.605 30 10 IJEE CC(C)CC[C@@H]1CCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1642162600 HKKYXDFHDKYPOI-SFTDATJTSA-N 440.632 4.647 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1CCCN(CC(C)(C)C)C1=O 1643491099 KTKNXXORCNGEJD-GOSISDBHSA-N 449.020 4.826 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2C(F)(F)F)C1 1648483774 VOXPEWRLYJMTPW-INIZCTEOSA-N 432.870 4.626 30 10 IJEE C#CCN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1649385801 XEAKWZKOEUVWPJ-RPWUZVMVSA-N 432.564 4.805 30 10 IJEE C=CCn1ncc2ccc(NCc3c(F)ccc(I)c3F)cc21 1651628661 QCNFOGWRYHLQEF-UHFFFAOYSA-N 425.220 4.717 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccc(CC)cc2)CC1 1662573453 JZQGUFZZRGZBNC-UHFFFAOYSA-N 444.373 4.930 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(Br)cc(I)c2)C1 1663733050 NNSHPSWVQHAISV-LLVKDONJSA-N 449.130 4.874 30 10 IJEE C[C@H](CN(C)C)[C@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1668146064 BAINLLBIGFTXQC-WZONZLPQSA-N 438.547 4.860 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1670942146 ULLYRAZZOBNKGL-JTHBVZDNSA-N 443.950 4.927 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)CC1 1672393715 DMWRKGFRIDHACG-UHFFFAOYSA-N 448.914 4.538 30 10 IJEE Cc1cc(Oc2ccccc2)ccc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1674275046 FOFVEXCDGZKEBD-DYESRHJHSA-N 436.512 4.668 30 10 IJEE C#CC[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccccc1 1675829686 JWWKGEWBCXYEMQ-ZEQRLZLVSA-N 429.589 4.911 30 10 IJEE O=C(NC[C@@H](CO)c1ccc(F)cc1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1676557629 BWSKXFCYBRHXKK-BBRMVZONSA-N 438.343 4.523 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1cnn(-c2ccccc2)c1 1678351212 CHYUKIWHFLJRBL-UHFFFAOYSA-N 441.329 4.564 30 10 IJEE C#CCN(CC)C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1681422970 RSQRPZIMWCNRAJ-LJQANCHMSA-N 436.408 4.819 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1681941576 CAKHDIJZNDFLBN-QFIPXVFZSA-N 429.605 4.852 30 10 IJEE C#CCCCCn1c(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC3CC3)C2)nnc1C(C)(C)C 1689906741 RXFDMDOEPYHYIS-WOJBJXKFSA-N 443.636 4.509 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1cscc1C(F)(F)F 1690082653 JXPRGSGXJBHZNL-UHFFFAOYSA-N 443.498 4.869 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCc2ccccc21 1690230948 WHTCAEOICGIMJZ-GOSISDBHSA-N 429.387 4.963 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)CC(C)C 1690252290 BZVUGQYGXQCAQI-GCJKJVERSA-N 432.996 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)Sc1ccccc1 1690254628 FFDLGOSVGDPBOZ-GOSISDBHSA-N 436.585 4.509 30 10 IJEE C=C(C)Cn1c(N(C)Cc2ccccc2C(F)(F)F)nnc1[C@]1(OC(C)C)CCOC1 1690296620 AKPWSCKLXRIBHG-NRFANRHFSA-N 438.494 4.550 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C(C)C)C1 1690306341 UAPMHMPGPFVHAM-LJQANCHMSA-N 439.000 4.908 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1690319642 TZFHZBZBHQUTEX-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCCC2)CC1 1690473859 JJFRPFQCBNNGJN-UHFFFAOYSA-N 431.531 4.577 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cc(C)on1 1690474226 XDPVAKQSAAUEPP-UHFFFAOYSA-N 434.313 4.746 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC1CC(OCC)C1 1690520379 UHPOWFZULOTPEJ-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@@H](F)C1 1690556482 YGAAUXKZMACMPU-LEWJYISDSA-N 435.547 4.988 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC(F)(F)C1 1690603560 DMXHOLHJYCLAOB-NRFANRHFSA-N 437.538 4.934 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(C2CCC(C)CC2)CC1 1690637819 PMWQTUKLDAGBNJ-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCCN2CCC)C1 1690690254 UYPLAZMWDNWNPA-VXKWHMMOSA-N 444.023 4.644 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)C1 1690707333 SYXYJDFTDXBNGB-GOTSBHOMSA-N 449.574 4.624 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705519553 OHSKJIBQQURJCD-KDURUIRLSA-N 430.543 4.603 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCOCC(F)F 1705607775 PZNSPIQIAFYFCF-UHFFFAOYSA-N 434.487 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc(F)cn1 1705671366 HVWJFXNGLUPJFZ-AREMUKBSSA-N 447.558 4.945 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CCC=C(C)C1 1705684315 MBCHCVOSHOZLOQ-UHFFFAOYSA-N 444.196 4.834 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCc1cccs1 1705744439 CVJCFTZGPQKDJD-UHFFFAOYSA-N 429.977 4.640 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1705770505 JIRQCJOFTYVFAH-GOSISDBHSA-N 437.613 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705788043 NPWIDRGOUNXGGB-SZPZYZBQSA-N 440.588 4.534 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCSC(F)(F)F)C1 1705917086 UGKXXUCMWJBBKF-ZWKOTPCHSA-N 440.535 4.854 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCc2sccc2[C@H]1CC 1705947813 XWCZDMOSZYMWBD-LJQANCHMSA-N 425.627 4.758 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCC[C@H](C)C1 1722281714 VMUOJMOSNZCQEZ-FPOVZHCZSA-N 444.627 4.770 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1oc(CCC)nc1C 1722375378 NOINXHJLPIUZEU-KRWDZBQOSA-N 447.608 4.501 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722523938 BUBFOSKKBLYWHM-INIZCTEOSA-N 429.540 4.872 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)CN2CCCCC2)CC1 1722568394 KODBLMHKCGEZKN-QHCPKHFHSA-N 437.632 4.752 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](CCOC)C1 1722612418 RPMNSZHPPQZVAY-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1cccc(OC)c1)C1CC1 1722646119 IRYTVRSQDJPRFC-MRXNPFEDSA-N 439.947 4.624 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(F)cn1)C1CC1 1722653552 HMQKMUZEADRQJB-UHFFFAOYSA-N 435.547 4.892 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1CCCCO1 1722666971 ZHHNOLNWRMRMML-SFHVURJKSA-N 448.409 4.574 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCSC1 1722679090 NATWHZBETCUQCD-IBGZPJMESA-N 437.613 4.584 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC(c3nccs3)CC2)cc1 1722704677 MSBGEYKLYXDGMX-UHFFFAOYSA-N 437.613 4.930 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCC2(C)C)CC1 1740691556 ILCRXJZGOQJSJW-HSZRJFAPSA-N 433.644 4.824 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCSC1(C)C 1740733356 BQFIGVTUJIRAOX-NBGIEHNGSA-N 438.641 4.998 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1740795923 INXVNWMPRBDAOF-IBGZPJMESA-N 443.642 4.672 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1740836418 KERCEKBZJCJBBP-PGRDOPGGSA-N 442.991 4.991 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCSC(F)(F)F 1740918337 OGKZOMPCHNQUMY-KRWDZBQOSA-N 426.508 4.965 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2CC1 1741006988 UPURTIHGUUTBOL-FGZHOGPDSA-N 440.657 4.721 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1csc(CC)n1 1748651877 SRQLXDXNVRCOHY-HZPDHXFCSA-N 439.654 4.851 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(C)s1 1748655169 SFKFVIKTGHIPEE-QGZVFWFLSA-N 432.549 4.993 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCSc1nccs1 1748777593 SIWUOWZCOMPOLS-UHFFFAOYSA-N 438.409 4.960 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCc2sccc2C1 1749039768 AOXDDCNBQDVVMG-UHFFFAOYSA-N 443.041 4.903 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1749092520 ZGXSEXHDDBBRSM-SFHVURJKSA-N 426.362 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCc1cccs1 1749124891 QXLDBGWGRUQVCF-FYYLOGMGSA-N 447.608 4.928 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nc(C(C)C)cs2)CC1 1749305576 LADWOZNFCDLALH-UHFFFAOYSA-N 429.540 4.932 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1749433636 QFDHXMSQGUHGEO-UHFFFAOYSA-N 449.624 4.638 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1749511344 VHSGXFSJTUOXAV-HDICACEKSA-N 444.023 4.641 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749538565 LETBOURTBPGFLC-QFQXNSOFSA-N 432.616 4.976 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1Cc1nc(C(C)C)cs1 1749538806 MKZJDNKACXJGFD-UHFFFAOYSA-N 431.569 4.556 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCO[C@@H]1C(C)C 1749592678 UGTWGBCXFJHNSB-GBXCKJPGSA-N 449.599 4.502 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749615927 FFWAMMCERBKOBF-ZWKOTPCHSA-N 429.996 4.568 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(C)CCCS1 1760178715 YHHJRTCICRACHO-IBGZPJMESA-N 425.385 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](CC)OC 1760297839 KJXVYTUDQOAMMQ-IIBYNOLFSA-N 437.371 4.581 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1760369693 SELHFTWVOFTDRD-GOSISDBHSA-N 444.023 4.637 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1760390150 AFPUMCXDIQDXNX-UHFFFAOYSA-N 437.466 4.688 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760398516 BDCFQBGOOSEEAA-GOSISDBHSA-N 439.604 4.823 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760406326 APDVDBYSNRYTTF-HXUWFJFHSA-N 429.653 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760414683 ZAFADJDJXMZPSB-UHFFFAOYSA-N 446.599 4.617 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OCC)C1 1760430502 LCFMMSIJIQSSPC-PMACEKPBSA-N 447.624 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)sc(C)c1Br 1760457680 CILYXPBVWXTXAV-UHFFFAOYSA-N 442.386 4.928 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1760479203 HUMSZRLZVFDDNX-NHCUHLMSSA-N 446.643 4.976 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](C1CCCCC1)N(C)C 1760498024 BVURLWRBAWIXNZ-QFIPXVFZSA-N 427.637 4.914 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1760507503 KRXUKSMYGIEZDS-OAHLLOKOSA-N 427.574 4.673 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCC2CC(OC(C)(C)C)C2)C1 1760537150 KJWYGOQPKJLAJU-IOJLRTSASA-N 428.577 4.612 30 10 IJEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(CC(C)C)C2CCCC2)s1 1762488388 HDKLGLDHYTZIOR-UHFFFAOYSA-N 435.601 4.624 30 10 IJEE CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1765713732 HDVNWXSBHCEMJS-FQEVSTJZSA-N 440.592 4.602 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)CC2CCC2)cn1 1766287504 CUQNSTBCZHMRGY-UHFFFAOYSA-N 430.556 4.675 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)c2cccs2)CC1 1772543523 OUFIQWKOIPBJMJ-UHFFFAOYSA-N 440.544 4.733 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)Cc3noc4ccccc34)cc(C)c2c1 1859657130 SSHLLSPQQZUMGU-UHFFFAOYSA-N 436.475 4.540 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(OC)cc1 1861843160 KWZSHPPHOUVQDP-DEOSSOPVSA-N 442.575 4.581 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862412094 WODHUXOCOUMCSB-HSZRJFAPSA-N 449.453 4.882 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478432 HDSPCYRMTONNKY-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(Cl)c1 1862502931 LRUGIRXAZHQELT-OAQYLSRUSA-N 444.934 4.708 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(OC)c1 1862549461 PMPWECCREBRVQE-IQMFZBJNSA-N 435.520 4.656 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 1862649892 IZUPIKWOJYMVMZ-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(F)cc2)n1 1867984169 MKHQWKZUOWWAJM-UHFFFAOYSA-N 447.533 4.927 30 10 IJEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1870136859 NRALYCZXWYSJTJ-UHFFFAOYSA-N 430.295 4.550 30 10 IJEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2)c1 1870146854 LKRVVLDOGVFDLX-UHFFFAOYSA-N 437.931 4.888 30 10 IJEE COc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)c(C)c1 1871251820 YEGXBFLWUOMHOV-UHFFFAOYSA-N 431.536 4.884 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871251975 FJGLWIIXKIKKRA-UHFFFAOYSA-N 428.536 4.531 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872225954 XDPUXTCIUUGVJS-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872555678 WGYOZJMBPOVNCW-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1872771364 SFMRCQBEEZZJIR-ZAOIQFLMSA-N 448.500 4.504 30 10 IJEE O=C1C(O)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1c1cc(F)ccc1F 1872955891 RZZWDGFKJNLASI-UHFFFAOYSA-N 437.242 4.845 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccc(F)cc2)C1=O 1873137366 RZWYMGAXAFOVPU-UHFFFAOYSA-N 443.607 4.730 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330033 RWHPJMAEVRXWMM-UHFFFAOYSA-N 445.563 4.882 30 10 IJEE CCOc1ccc(/C=N/Nc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1OCC 1873526502 IVIYIHOJQJJTRJ-WYMPLXKRSA-N 447.322 4.783 30 10 IJEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1cn(C)c2ccccc12 1874313971 WTHKOKYKAXJNPF-PCLIKHOPSA-N 431.565 4.724 30 10 IJEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(SCCO)nnc2C(C)(C)C)cc1 1874486990 UIHWGYQGJYIJGM-KOEQRZSOSA-N 437.613 4.569 30 10 IJEE Sc1nnc(CCOc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874562864 WSWIYOYJILSXPI-KOEQRZSOSA-N 430.533 4.650 30 10 IJEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)cc1 1874693220 TYPUXUCFHHLIKR-XYOKQWHBSA-N 447.443 4.656 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc3c(c2)OCCO3)CSc2nnc(CC)n21 1874836613 QQHMOXXQVNBZDY-GOSISDBHSA-N 444.601 4.674 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCN(C)CC1)n2CCC 1875205623 RHLIAOKTRWFCMG-UHFFFAOYSA-N 442.652 4.782 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(Cl)nc(C)c(C)c3C)cc21 1891303660 YMPLXLZWHIBEPF-UHFFFAOYSA-N 427.932 4.850 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CC1(NC(=O)OC(C)(C)C)CCSCC1)NCC 1922092699 VEBKTORWZFBKQY-OAQYLSRUSA-N 434.646 4.918 30 10 IJEE C=CCC1(NC[C@H](CCC)CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924534395 DGXDUEYEDIICNV-LJQANCHMSA-N 439.641 4.863 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(Cc3ccccc3)C(=O)OC(C)(C)C)[C@H]2C1 1930036680 WRQQDLCFBKLREX-RLSLOFABSA-N 441.572 4.963 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C1CC1 1985180691 PNXVDTBQBYLPES-BVZFJXPGSA-N 445.563 4.844 30 10 IJEE COc1cc(C=CC(=O)c2c(C)nn3c4ccccc4n(C)c23)cc(OC)c1OC(F)F 2040488229 MOFNSOBICQTGBE-UHFFFAOYSA-N 441.434 4.649 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(NC(=O)C3CC(OCc4ccccc4)C3)c2)OC1(C)C 2042208069 WRYYYMHEZYQRJM-UHFFFAOYSA-N 441.764 4.573 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)c(F)c1 2079112669 XYGQKLZSXNFSMT-QQZXWGPFSA-N 429.277 4.650 30 10 IJEE CCc1nn([C@H](c2ccc(SC)cc2)C2CC2)c(I)c1C=NO 2080105706 OGQYVWMDGUDNEU-INIZCTEOSA-N 441.338 4.580 30 10 IJEE C[C@@H]1C[C@H](CNc2cc(Br)c(C#N)cc2F)CN(C(=O)OC(C)(C)C)C1 2115934949 FCHHFEOYHHCHGV-CHWSQXEVSA-N 426.330 4.765 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OC)c(Br)c1OC 2183070913 FKWYTJYWJPSBIZ-YOEHRIQHSA-N 443.382 4.586 30 10 IJEE Cc1ccc(C#CC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2231144079 HMBGOEGQQNIVBA-UHFFFAOYSA-N 446.591 4.865 30 10 IJEE CCN[C@H](C#Cc1ccc(CC)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2231212021 APEZFNDUFBMBGQ-FTJBHMTQSA-N 449.639 4.604 30 10 IJEE C=C(c1ccccc1)[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237391272 YNOUCZGHVUJACG-VQTJNVASSA-N 432.358 4.959 30 10 IJEE CN[C@H](C#Cc1ccc(C)cc1)c1cc(Br)ccc1I 2239721396 FKERXLCAVFYGOL-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE C#CCOc1ccccc1CNc1ccc(Br)cc1I 2240327469 FVGCFXKANWEYBP-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE CC1(C)OB([C@H]2C[C@H]2C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241485689 BTLMLOZOJNPOFN-RPWUZVMVSA-N 448.416 4.677 30 10 IJEE C=CC[C@]1(COc2ncc(N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272224880 FRSYIYHTSHKKBP-LJQANCHMSA-N 426.355 4.541 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 2296216546 LQMKYZYMTCMWQP-AABGKKOBSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(C[C@H](N)C#Cc1cccc(Br)c1)C(F)(F)F 2296221136 GAHGALICJBDNSW-QAPCUYQASA-N 449.311 4.611 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2296272725 LXGONPXZGSPFQF-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2296285052 XXIITVDWWOAWCW-OALUTQOASA-N 435.406 4.672 30 10 IJEE C#CCCCCCCNC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2316832442 LGRQHOJBWARAFY-AREMUKBSSA-N 442.600 4.530 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(OC)c(OC)cc1OC 2318574159 FUDXCONUEOZVQZ-UHFFFAOYSA-N 440.569 4.739 30 10 IJEE COc1ccc(OCc2nnc(S)n2N=Cc2ccccc2Cl)c(C(C)(C)C)c1 2322284131 MVPJQIFJZFMGBH-UHFFFAOYSA-N 430.961 4.988 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2323118331 CLMAHDZFXSEHQP-UHFFFAOYSA-N 434.419 4.743 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 2323202441 SXKXILNFRLFMMU-UHFFFAOYSA-N 430.317 4.652 30 10 IJEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2325068408 GIAIGYPUSNVHRB-UHFFFAOYSA-N 445.309 4.952 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325072314 LNSVSBLEEBNAJZ-QGZVFWFLSA-N 438.520 4.947 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2325074272 YLMYKSVXTOKNKZ-OAHLLOKOSA-N 430.884 4.612 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)c1 2325382997 ZJUBOQVEBSRJEK-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc([N+](=O)[O-])cc1 2325589624 WQAAPWGJYKQISJ-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccco2)cc1C 2330632557 KJBFHHBTVFDBQO-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)cc1 2330952145 LGDPEBNZXWFTPL-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE CCCOC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(Cl)c(Cl)c1 2331164257 SDSXSAOJMWXKSB-UHFFFAOYSA-N 441.262 4.531 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2O)c1C 2331364649 MXLWYBLSPMETBK-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)cc1 2331716958 VOIGEPAZUVAJTH-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc([N+](=O)[O-])c1OC(=O)CC 2331851645 JLJXNGSAOZCOSC-UHFFFAOYSA-N 427.453 4.830 30 10 IJEE C[C@@H]1C[C@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339542191 XUTZEDKKYFJOOB-IEBWSBKVSA-N 443.397 4.784 30 10 IJEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339596795 LZFSXQMVNPYKQF-LUOJLBBYSA-N 443.397 4.608 30 10 IJEE O[C@H](C#Cc1cccc(Br)c1)c1ccc(Cl)cc1I 2340049844 KKFSULJXMOSVBL-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE N#Cc1ccccc1COCc1cc(I)ccc1Br 2341558619 XBVPYCLBKRJTBE-UHFFFAOYSA-N 428.067 4.642 30 10 IJEE CC[C@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843541 JIMHSKUDIVHMIQ-IZZNHLLZSA-N 448.460 4.937 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)cc1 2364933354 QNJFBHVVOIHNIW-UHFFFAOYSA-N 449.360 4.817 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC)cc2)C3)cc1OC 20882863 PNOSEJXDXUCPED-CTNGQTDRSA-N 449.547 4.887 30 10 IJEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)ccc1OC(C)C 21250207 VFBPYTHMMZVIOT-TZIWHRDSSA-N 449.547 4.885 30 10 IJEE Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4cccc(C#N)c4)ccc3s2)cc1 33116508 FXLHOIODLYWLCS-UHFFFAOYSA-N 448.529 4.530 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc3ccccc23)s1 35568535 DEJHLTMHXMXRTD-UWJYYQICSA-N 448.544 4.670 30 10 IJEE C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2cccc(C)c2)c1 37600797 BRWZLKVFIVTSGP-UHFFFAOYSA-N 445.538 4.895 30 10 IJEE Cc1c(C(=O)c2ccc(OCC(C)C)cc2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38622982 TWEBRHVUMBYFRT-GOSISDBHSA-N 430.504 4.609 30 10 IJEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 59022924 ACSXSHJTBKRGFH-VJRASPMLSA-N 426.933 4.690 30 10 IJEE COc1ccc(-c2nc(SC)nc(Nc3cc([N+](=O)[O-])ccc3C)c2C#N)cc1OC 62039775 ZCSMLDLVRIWTTD-UHFFFAOYSA-N 437.481 4.715 30 10 IJEE O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCCS/C1=N/c1ccccc1 96557899 ZAMJSCFKDLACGF-OCEACIFDSA-N 441.512 4.754 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)c2ccccc21 103024821 BBSYEDDCGJFDFH-QRVIBDJDSA-N 431.469 4.562 30 10 IJEE CCOc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccccc3C)C(=O)c3ccccc32)cc1 103746396 MFUFQGTVAUINKZ-SLEBQGDGSA-N 446.528 4.764 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c1 169964385 HAHIAKKKRVSEAM-HSZRJFAPSA-N 447.462 4.709 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@H]1c1ccncc1 170021955 UYSLDJPHJNHDNG-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(F)cc1 170065861 MNMALYKHDLTJIF-HSZRJFAPSA-N 441.462 4.804 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)c1 170166145 ZLGPLADVNLAYGJ-OAQYLSRUSA-N 443.565 4.930 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccn2)cc1 170174311 AHTDQNJGOTUNSH-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(Br)cc4)CC3=O)n2)cc1 170180112 JFLRREKOKIHFRM-UHFFFAOYSA-N 426.339 4.598 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)ccc1Cl 170199135 OQPNCXLAROWYFR-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)ccc1OC(C)C 170230823 FIEHPIDIYXPDTI-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)c(OC)c1 170271118 IFCGCSUHCHTXJK-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2C)c(C)c1 170277958 ZMXZVOYYQQWFHP-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 170388979 DZTXJHJLFSKAEE-OAQYLSRUSA-N 448.406 4.531 30 10 IJEE O=[N+]([O-])c1ccc(Nc2nc(NN=Cc3ccc(F)cc3)nc(Nc3ccccc3)n2)cc1 254472862 UJTFSXOWPDQVID-UHFFFAOYSA-N 444.430 4.852 30 10 IJEE CC(C)CCC[C@H](C)[C@@H]1CC[C@H](C2=C[C@H](O)[C@@H]3C[C@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO 257451532 JBBOTAYOANLXIB-YTBOQVROSA-N 434.661 4.901 30 10 IJEE C=CC[C@H](C(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 428016099 VRSGROHSAUSXRA-NRFANRHFSA-N 433.470 4.841 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 482169666 NLCHYNUNDIVWRC-GJZGRUSLSA-N 429.590 4.737 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 505007027 YVQUSVGZFQPYRK-UHFFFAOYSA-N 426.460 4.549 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccc(Oc5ccc(F)cc5)nc4)no3)cc2C1=O 521909491 YODOSPSIFNOALI-UHFFFAOYSA-N 442.406 4.512 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 549253286 RMHMJUCWXIWNNE-XXBNENTESA-N 436.531 4.581 30 10 IJEE C[C@@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@@H](c2ccccc2)O1 557458019 PQVHEANCLUYWTK-JPYJTQIMSA-N 437.971 4.807 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 572622138 KGYZTCSCSCCJGE-UHFFFAOYSA-N 428.960 4.839 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 583765020 BYNIEBPWJCUPNI-UHFFFAOYSA-N 443.595 4.950 30 10 IJEE N#Cc1ccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 586194456 LOXJXBSAYSGOGS-UHFFFAOYSA-N 427.323 4.716 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 590849901 GAJJXSGAMJKANL-SFHVURJKSA-N 441.497 4.682 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Nc1ccc(C#N)cc1Cl 611533019 AHAZZIJFBFYCMW-OAQYLSRUSA-N 435.915 4.620 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccccc1OC)[C@@H]1CCOc2ccc(Br)cc21 733335606 ZFURQWJJPGMPLB-DNVCBOLYSA-N 443.341 4.687 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1ncnc2c1cnn2-c1ccc(F)cc1 735230416 KWCMFESTSIHRTM-UHFFFAOYSA-N 425.876 4.803 30 10 IJEE COc1ccc(-c2nn(CN3CCC(C)(C#N)CC3)c(=S)n2-c2ccc(C)cc2)cc1 779880116 SPFBXYXRPOJVQV-UHFFFAOYSA-N 433.581 4.970 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC(c3ccc(C)nc3)CC2)c1=S 782941936 NCTYILLFLNDZNH-UHFFFAOYSA-N 435.597 4.816 30 10 IJEE CC[C@H](NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccccc1 787043988 AXFPOVPRMCXZNT-UXHICEINSA-N 445.544 4.899 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CCCN1C(=O)OC(C)(C)C 792531207 FSCBPQDHSWGVSG-VWLOTQADSA-N 441.572 4.515 30 10 IJEE O=C(CCSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1ccccc1Cl 1084139584 RCFPYLRALYUAGG-ADAPCVGISA-N 426.933 4.690 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccccc2Cl)n1)Nc1ccc(Cl)cc1 1084171361 HTBUBPSZDDUTMM-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Oc2c(Br)cc(C#N)cc2OC)cc1OC 1126956016 FSTALSODJXOUBB-VURMDHGXSA-N 444.281 4.522 30 10 IJEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccnc(Oc2ccc(C(C)C)cc2)c1 1126995069 ATWMPCJZKWTURO-UHFFFAOYSA-N 447.495 4.536 30 10 IJEE C#Cc1ccc([C@H](OC(=O)C(F)(F)c2ncccc2Br)C(F)(F)F)cc1 1128867405 VKTOZYLHKPHFIO-AWEZNQCLSA-N 434.158 4.764 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC3(c4ccccc4)CCCCC3)ccc2c1=O 1136123704 POKMSMSTHJVIEY-UHFFFAOYSA-N 433.577 4.503 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 1136177622 URBCEYLHNLUYQC-OAQYLSRUSA-N 426.488 4.650 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1 1142214587 CXUPYPRACJZNDN-PZJWPPBQSA-N 433.577 4.845 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)c2ccccc2NCc2ccccc2Cl)CC1 1143101050 HKLYKFFPEDJLPL-UHFFFAOYSA-N 430.939 4.786 30 10 IJEE C=CC1(CC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CN(C(=O)OC(C)(C)C)C1 1159309422 UTMHFFUHALVHAS-SFHVURJKSA-N 437.005 4.846 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(c4ccc(C(F)(F)F)cc4)CC3)n[nH]2)c1C 1164150072 NIEZDVQRZHCWMZ-UHFFFAOYSA-N 429.446 4.514 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(Cc3ccc(C)cc3)C2)cc1OC 1179405720 GQWNEPAMVDCAHE-HXUWFJFHSA-N 445.401 4.695 30 10 IJEE CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)S(=O)(=O)N(C)[C@H](C)CC#N 1194233610 HLOYGFBZCFYAPL-OAHLLOKOSA-N 439.940 4.572 30 10 IJEE C=CCCCN(CC)C(=O)Nc1ccc(Br)c(I)c1 1199761371 LMUOOEBDAMJAJV-UHFFFAOYSA-N 437.119 4.874 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 1213921411 HRAKCMWTVIVKIC-RRPNLBNLSA-N 446.616 4.752 30 10 IJEE Cc1ccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1Br 1214252762 BWAKKYRKGVISKK-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE C#CCN(C(=O)Nc1ccccc1I)[C@H]1CCCc2ccccc21 1214584888 VIMHGYOJQYTRRH-IBGZPJMESA-N 430.289 4.836 30 10 IJEE Cc1cc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)ncc1C#N 1219692169 DGNBKWZSYWGHLF-XMMPIXPASA-N 445.954 4.854 30 10 IJEE C#CC1(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CCCC1 1220533890 LYFDGVWWGOSYPP-FQEVSTJZSA-N 428.001 4.746 30 10 IJEE C#CC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)C1 1220767539 GOHPCCQDZOFABS-AVRDEDQJSA-N 439.650 4.624 30 10 IJEE C#CCN(C(=O)NCc1c(Cl)cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1221505432 NNMDNHVNZQLEDL-UHFFFAOYSA-N 440.371 4.538 30 10 IJEE C=C(C)CCNC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1225626808 RWNXHIQJPFWFNY-UHFFFAOYSA-N 433.346 4.802 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cnc(-c3ccccc3)s2)cc1 1252438770 RBPCBILBRVHVPK-UHFFFAOYSA-N 432.549 4.946 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1253983246 UUEUIIMSYQOAAO-NRFANRHFSA-N 429.605 4.852 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c1 1264919237 MWRWEIZVPBYYHC-UHFFFAOYSA-N 442.500 4.729 30 10 IJEE C[C@@H](Oc1cccc(Br)c1)C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 1276370888 FLYDSMKAMGNNAT-MRXNPFEDSA-N 436.309 4.716 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1nc(C)cs1 1286306440 VBJPYEUNSHAVOD-AEFFLSMTSA-N 425.627 4.905 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](OCC(C)C)C1 1286338777 HMELATLAFJXHLF-UYAOXDASSA-N 426.630 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](SC)C(C)(C)C 1286423687 MQEDHGCEFXZEQX-OAQYLSRUSA-N 431.609 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCSc1nccs1 1286524031 GRPVHQUUXSXEDH-HSZRJFAPSA-N 437.638 4.808 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCCOCc2ccc(OC)cc2)CC1 1286648888 NJKFILVJWPMYBG-UHFFFAOYSA-N 438.597 4.702 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1286649411 TXMRAWSFQRFQAJ-RCZVLFRGSA-N 438.616 4.680 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(OC)CCCC2)CC1 1286653337 UWQZXVSQYBLCTF-UHFFFAOYSA-N 437.588 4.509 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOCC2(CC2)C1 1286682259 IPPPGXMXMMAVOR-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1 1286741626 AWMATHKDVNITAF-HXUWFJFHSA-N 448.615 4.504 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1-n1nc(C)cc1C 1286757012 CHVCUDUIAWATSP-QHCPKHFHSA-N 432.572 4.549 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286777929 OFFILPHVTFBKSG-GOSISDBHSA-N 443.617 4.510 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1291075390 ASCXUTIJISSOIO-DENIHFKCSA-N 437.588 4.560 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(CC)CC)nc1 1293259502 FXLCEJPSYNJZDK-AUSIDOKSSA-N 443.599 4.731 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H]2C(C)C)c(C)n1 1294294707 HJMYTVAWYAMETI-QHCPKHFHSA-N 431.588 4.795 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1300362570 RIWMLWVPSYEIDO-LEWJYISDSA-N 428.964 4.555 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN(C(C)C)C(C)C 1300521616 SDQKULXONKRFQJ-UHFFFAOYSA-N 446.426 4.834 30 10 IJEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1300545203 LBJWJHFKQAGNSF-NRFANRHFSA-N 432.465 4.705 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCCCO1 1300638432 RTASKIRXYISNDN-KRWDZBQOSA-N 437.371 4.583 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCc2cccnc21 1300641147 CJKCHQYBFDYZEN-OAQYLSRUSA-N 431.559 4.870 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nccs1 1300868619 FUBMRHFKIULDFN-LPHOPBHVSA-N 429.977 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@H](SC)C1 1300882196 TVPRUBGBFQVLFV-DXIQSLLYSA-N 442.629 4.657 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@]2(CCSC2)C1 1300938737 GTPXAIMDOUACLA-HXUWFJFHSA-N 449.418 4.626 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCC[C@H]2CC)CC1 1301133956 CERARNFAFZXAOT-OAQYLSRUSA-N 441.595 4.663 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC[C@H](O)C1 1301170543 ZHFGZJCJNJMZNW-JTAQYXEDSA-N 440.588 4.524 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCCOC2)C1 1301211036 BZHYPTZRDTZCIK-NRFANRHFSA-N 431.378 4.681 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCN(CCC)C1 1301270931 NEUOXRDFEJGKJU-LJQANCHMSA-N 436.629 4.731 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1c(CC)nn(C)c1CC)C1CC1 1301317009 MJRMTENNXBDLCV-UHFFFAOYSA-N 442.970 4.799 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ncc(CC)s1)C1CC1 1301317715 ZNWSEIXTVCBWJA-UHFFFAOYSA-N 431.512 4.769 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1c(F)cccc1F 1301410651 JGYDYDQFUIVZSJ-GOSISDBHSA-N 442.510 4.521 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1305658573 APNHXMXVWNXXSO-TZBSWOFLSA-N 448.659 4.928 30 10 IJEE C#CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 1307476069 OPYQEJAMVPPSQT-SFHVURJKSA-N 435.705 4.970 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NCc1ccc(COc2ccccc2)cc1 1307486553 HXEVNOOXSGPVOG-RRPNLBNLSA-N 439.559 4.654 30 10 IJEE C#CCN(CC(=O)Nc1sc(Cl)c(-c2ccccc2)c1C(=O)OCC)C(C)(C)C 1308088125 KOZJYQLMHIYZKI-UHFFFAOYSA-N 432.973 4.917 30 10 IJEE C=CC[C@@H](CO)CNCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1308353622 MBHWRSBXXWVANR-QGZVFWFLSA-N 426.358 4.576 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1ccc(Cl)cc1F 1309489494 RHDKTRFNEOBCMT-GOSISDBHSA-N 442.339 4.964 30 10 IJEE C=CC1CCN(C(=O)Nc2cc(Br)cc(I)c2C)CC1 1311065069 WEHMCKJZKBIMGQ-UHFFFAOYSA-N 449.130 4.792 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1F 1312936659 JHDDMBAXHLJQJQ-WMZHIEFXSA-N 449.954 4.586 30 10 IJEE CO[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)C1 1321764919 XTTULRIDKMXMPW-HBMCJLEFSA-N 437.565 4.523 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 1352319475 SVHLGSQEQIOQCH-ZWKOTPCHSA-N 433.277 4.815 30 10 IJEE C#CCN(C(=O)c1cnc(CC(C)C)s1)[C@@H]1CCOc2ccc(Br)cc21 1353634477 LKKARSXGCZZZFB-MRXNPFEDSA-N 433.371 4.703 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C2CC(C(C)(C)C)C2)c1 1358901956 BJUULKFRZOMFRV-UHFFFAOYSA-N 435.616 4.920 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)C)CC1 1358906179 YNJMEGNLZBLZGJ-UHFFFAOYSA-N 444.627 4.687 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359051635 FQOLKFHOUSIHPH-GDBMZVCRSA-N 439.412 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(OCc2ccccc2)c1 1359111336 WRXCQYJLFJRHSG-UHFFFAOYSA-N 428.540 4.698 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CC(c3ccccc3)C2)CC1 1359172950 OQUPQBFFDLJADB-UHFFFAOYSA-N 435.616 4.793 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1359174257 ZACWYNBBPVNECQ-BVOGOJNSSA-N 443.636 4.697 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OCC(F)(F)F)CC1 1359177069 YZGPUZZWVRSKLU-UHFFFAOYSA-N 445.489 4.675 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCc2ccncc2)CC1 1359181925 MOFUJDBOMVZPGR-UHFFFAOYSA-N 435.597 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359185474 XTCKWGAZLSUQKM-IBVKSMDESA-N 438.616 4.884 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1359193506 FKGFYYYHYBOUEM-ZQRMPTRQSA-N 437.632 4.799 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359199640 CGTOBAOSEWWOMW-OALUTQOASA-N 448.398 4.856 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1359243872 HSLSKJXWBGDGMS-BVAGGSTKSA-N 438.616 4.982 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 1437087975 GNJUYMXVPBADGH-UHFFFAOYSA-N 449.610 4.890 30 10 IJEE N#C[C@H](CCc1ccccc1)C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 1443538131 CAUFSZCJNCKXHT-NRFANRHFSA-N 438.531 4.988 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CCC)[C@H](O)c2ccccc2)s1 1448957315 FZSVJGWLRRUKQY-VQIMIIECSA-N 425.019 4.857 30 10 IJEE C=CCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 1453967213 IZCPGRWMDQSVEK-UHFFFAOYSA-N 431.330 4.882 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(c3cccc(Cl)c3)CC2)CCCN1C(=O)OC(C)(C)C 1459418892 ABZCZMFMIPOAGH-DEOSSOPVSA-N 430.976 4.839 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccccc2-c2ccc(Cl)cc2)c1 1459846824 ZAGPVPLLPJUNJO-QGZVFWFLSA-N 431.923 4.987 30 10 IJEE Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Br)c(C#N)n2)on1 1461102943 FFZNSDCBQVXZMZ-UHFFFAOYSA-N 429.299 4.557 30 10 IJEE C=C(C)[C@H](N[C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(F)c(F)c1 1462108735 BGGHUDHZPJGPKV-RTFZILSDSA-N 430.495 4.598 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1462637083 YJCOUGLVKOECAG-GBXCKJPGSA-N 438.612 4.923 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])c1 1463019260 IUGQCWITRPVEIH-UHFFFAOYSA-N 443.484 4.520 30 10 IJEE C=C(CC(C)C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1463583511 SATIOTSUSUXKBJ-UHFFFAOYSA-N 437.359 4.791 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 1464920448 QHHNOKDIGVBTOI-QZTJIDSGSA-N 432.952 4.571 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C 1466207174 BTPILNHJWANWBS-XMMPIXPASA-N 433.596 4.896 30 10 IJEE C#CCN(C(=O)NCc1ccnc(OCc2ccccc2)c1)[C@@H]1CCCc2ccccc21 1467895047 FFWCBFGWOYNASR-RUZDIDTESA-N 425.532 4.883 30 10 IJEE C=CC[C@@H](C)NC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1469671084 DJNAXLLUGZEVMF-OAHLLOKOSA-N 433.346 4.801 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1469928230 ZUQGXOWEDRPETB-VQTJNVASSA-N 432.564 4.976 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1471019924 MNRHXYMTCFGVTK-DWIQEWEKSA-N 431.552 4.700 30 10 IJEE CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 1475053550 HIGRIFBLSTUCNW-HSZRJFAPSA-N 439.968 4.969 30 10 IJEE C#CCN(C(=O)Nc1ccccc1Oc1cccc(I)c1)C1CC1 1477019844 PEFRPBMAEXYLAI-UHFFFAOYSA-N 432.261 4.713 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCCN(c2ccccc2)C1 1477933295 SSGFDVOEAPIORU-IBGZPJMESA-N 446.364 4.955 30 10 IJEE C#C[C@@H](NC(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1478895229 CCRMMUXRXGRDCP-YLJYHZDGSA-N 433.980 4.741 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1507682536 QMVLNDUWIZGBNE-OAQYLSRUSA-N 437.975 4.878 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)C(F)(F)F 1507771187 WAMUEXKLEBAIST-JOCHJYFZSA-N 429.490 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1507798324 NVSPXWLPMGOECF-ZDXQCDESSA-N 440.632 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC[C@H]1CCOC1 1507815755 SPQQDMVTHBYJCM-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CCC 1507864753 FWILFUVLSFCNHY-SJORKVTESA-N 426.005 4.770 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2ccccc21 1507986265 KZQAVIQVTXFHFG-FPOVZHCZSA-N 437.588 4.702 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1508006369 CMWYXMRKJYREEH-VWPQPMDRSA-N 443.661 4.894 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)CC[C@H]1C)C(C)C 1508014171 TXPLZWIZWNOQME-BGWNEDDSSA-N 436.648 4.972 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1508018434 SHOSUWFIEAXELF-NHCUHLMSSA-N 446.599 4.899 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(Cc1ccccc1)C1CC1 1508060604 BABFLRTYAJUECW-FQEVSTJZSA-N 437.588 4.748 30 10 IJEE C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1515233798 BGXGFDSZPPAYBD-QGZVFWFLSA-N 440.478 4.725 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccc(C)n2)C1 1516904016 AKOZNMHOUVNXLL-HSZRJFAPSA-N 446.624 4.875 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](C)c2cc(Cl)ccc2F)nnc1-c1ccco1 1521172889 NPYUUZPPNOHFIX-CYBMUJFWSA-N 434.924 4.876 30 10 IJEE C=CCOc1ccc(CC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 1526701505 RKANWHFTKNVKNB-UHFFFAOYSA-N 433.470 4.677 30 10 IJEE C#C[C@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccc(Br)cc1 1528082235 VVHXJRUARASTPH-KRWDZBQOSA-N 448.242 4.758 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnc(OCC(F)(F)F)c1 1529353514 DQMZFCWAYJPXNY-LBPRGKRZSA-N 431.336 4.596 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)c1ccc(F)c(F)c1 1529493392 XTQKVJBYOFUGQX-IBGZPJMESA-N 432.268 4.960 30 10 IJEE Cc1ccc(NC(=O)c2ccsc2C#N)cc1S(=O)(=O)Nc1cccc(Cl)c1 1538484260 HBFKXVACOWAFLE-UHFFFAOYSA-N 431.926 4.635 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCC(F)(F)F 1538991594 BAFIMRZTSJJFDC-LLVKDONJSA-N 433.247 4.647 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1539056216 VGLQMFIWLYQLII-SFHVURJKSA-N 440.897 4.950 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCC[C@@H](C)C1 1539149578 YRHPVFIREWCWGX-UXHICEINSA-N 444.023 4.653 30 10 IJEE C#CCN(CC)c1nnc(C(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1539340763 QJXPKFLSHIWTBL-UHFFFAOYSA-N 425.577 4.625 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCC(C)CC1 1539384292 CLXADOFJCLALJI-FQEVSTJZSA-N 449.574 4.746 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCCCC2)C1 1539581069 WPCRVYXZKIJZMO-UHFFFAOYSA-N 446.349 4.923 30 10 IJEE 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C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOCC(C)C)CC1 1705764683 JHSMXMCXAOWJRZ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2c(F)cccc2OC(F)F)CC1 1705779372 HCPNBOPFRPDIPZ-UHFFFAOYSA-N 429.446 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705794381 GRBXMPIPCMQOCA-JOCHJYFZSA-N 434.588 4.843 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705826097 NFWLRAHVKUUBHG-DENIHFKCSA-N 426.605 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCc2ccccc21 1705836416 SKJUXLCDBXTSQL-INIZCTEOSA-N 426.362 4.778 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCO1 1705868108 BNPCNJKZQIOJKF-KRWDZBQOSA-N 444.551 4.970 30 10 IJEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705876705 HNKFFFIRKJFVPJ-IBGZPJMESA-N 433.625 4.871 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)C[C@@H](C2CC2)O1 1708233993 FNADFDOEHGGZMY-GCJKJVERSA-N 437.588 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccnc(SCC)c1 1722292722 OZTVGXHRWQHXOT-KRWDZBQOSA-N 444.564 4.613 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCC 1722406704 IRTKIBKIMZXLIL-FPOVZHCZSA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(CC)s1 1722406860 XLOOUMQNXHNBNG-UHFFFAOYSA-N 447.377 4.978 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 1722599746 IWKQVGKZTWTBJV-LJQANCHMSA-N 429.584 4.834 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CCOc1ncccc1Cl)C1CC1 1722648449 SGFCOHONSATVKU-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H](OCC)C(C)C 1740540861 NFPLOSBZKMIBIN-FXAWDEMLSA-N 447.421 4.925 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCSc1nccs1 1740544539 HHQLMNHPEPPIMI-MRXNPFEDSA-N 436.610 4.534 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](C)CN1CCCCC1 1740679233 QVQWUCIZOZAXHA-NRFANRHFSA-N 439.623 4.768 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1740714484 ZUGOUJWTTXHXNU-WIYYLYMNSA-N 438.622 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1740764690 IVTGGGIDFWLOKV-LEWJYISDSA-N 439.604 4.755 30 10 IJEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1740783470 IYHDEAMTSIVLIH-UHFFFAOYSA-N 448.615 4.703 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)O[C@@H](C)C1 1740860202 XGJRWHSHMNHJAZ-HOTGVXAUSA-N 449.393 4.686 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1740865215 SOEAKIJYJPGODB-UHFFFAOYSA-N 430.600 4.564 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]2c2cccc(F)c2)nnc1[C@@]1(OCC)CCOC1 1740866321 ADBLJEZHDTZQPR-ZJSXRUAMSA-N 428.552 4.767 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)c1ccsc1 1740894227 MTCJXEFKAVRCGL-OYHNWAKOSA-N 428.627 4.723 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1740934816 RLALTGLEBAUUKL-JOCHJYFZSA-N 448.489 4.680 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)c2ccccc2F)C1 1740976182 HDTCQILYNUMVGC-IBGZPJMESA-N 435.547 4.547 30 10 IJEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CCCS1 1742009993 HXFYLAXCYJWLPZ-FXAWDEMLSA-N 435.519 4.881 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(CC)CCC 1748646823 FJODTNHVLNGLNC-SFHVURJKSA-N 436.629 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1cc(Cl)ccc1OC(F)F 1748873513 RREPDDXQHQZHPO-UHFFFAOYSA-N 444.869 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)c1nccs1 1749056566 LHAVKYBMVTYDMZ-OYHNWAKOSA-N 443.523 4.799 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](OC)C(F)(F)F 1749060243 MCZXVZKCQQQARW-VQIMIIECSA-N 444.860 4.697 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CCN(CC)C(=O)OC(C)(C)C 1749061090 KFFRUUCSYRUFIG-RUZDIDTESA-N 437.588 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1ccccc1F 1749131738 VCWCWPPFZKEHSN-FCEUIQTBSA-N 428.552 4.667 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(F)cn2)CC1 1749334697 KZCUGQLYACJSTN-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC1CCOCC1 1749448224 VUOJXKZRVUXBFV-GOSISDBHSA-N 444.645 4.587 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1occc1C)C1CC1 1749511963 PQTRPNXNTDTEQU-UHFFFAOYSA-N 443.345 4.821 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCCCC1 1749532734 XCPJSBSCSOEIIN-QHCPKHFHSA-N 449.599 4.669 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCC[C@@H]1C 1749591779 YKZWSCYIXPWJMB-HFZDXXHNSA-N 434.584 4.557 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CC[C@](C)(CC)O2)C1 1749697367 JGVWSWXEFXBXNN-VUMQFKOGSA-N 438.616 4.949 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCCN2CCC)C1 1749699623 BXDKSQFBAJRIQH-RPWUZVMVSA-N 437.632 4.553 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C)CC1 1749746032 PMMWRRRSQHNYDC-UHFFFAOYSA-N 438.439 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@H]1C(C)C 1760097606 HRCHJRCFYYQWDN-UGNRZPKXSA-N 430.980 4.591 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(CC)CCOCC1 1760122719 QYDVKUQRYTYLBG-FQEVSTJZSA-N 438.616 4.819 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC[C@@H]1C 1760132485 NWQWQBJHAOPIOS-INIZCTEOSA-N 433.419 4.761 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(OC)CCCCC1 1760227013 RLELUIJPKUWMRY-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCN1CC 1760330469 DPEMTONQFOJFLM-IBGZPJMESA-N 433.547 4.823 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760443184 PDIQMLORWIJYFU-NQIIRXRSSA-N 435.399 4.886 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CC1(OC)CCC(C)CC1 1760486255 HZIVRTKQXDPLPD-UHFFFAOYSA-N 438.601 4.585 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CCC)CCC 1760515005 JDOWOLSGWLYRDP-UHFFFAOYSA-N 431.993 4.742 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCC(C)C)C1)C(C)(C)C 1771397906 GNRKKJGPRXRZSX-RTWAWAEBSA-N 441.645 4.846 30 10 IJEE Cc1ccc(-c2csc(C(=O)ON3C(=O)c4ccccc4C3=O)c2-n2cccc2)cc1 1772791053 KBKPBIFDSDYZFE-UHFFFAOYSA-N 428.469 4.882 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1OCC 1860735427 ROYVGTJCKXQTGB-BMRADRMJSA-N 429.516 4.972 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1861129587 ILANQJQFKDSLHT-IKPXGLPCSA-N 437.540 4.942 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(F)cc1 1861481953 TXJDFDWDAOEUDA-HSZRJFAPSA-N 430.539 4.712 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccccc2F)cc1 1862390466 DSJCNQHRVLUZLP-HSZRJFAPSA-N 447.510 4.712 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862441919 FJJGLWYCEQLJPB-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC(C)C)c1 1862459795 OJPXAPKFLIXJMI-HXUWFJFHSA-N 433.426 4.737 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862546948 JLJJZMTVJWMVLN-JOCHJYFZSA-N 434.492 4.708 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1O 1862549402 OHNAGZOVJWVOCV-HSZRJFAPSA-N 435.520 4.514 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862564767 IGUSDSDVTGJLME-QHCPKHFHSA-N 433.552 4.636 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862618064 OIKCXCISWOSGDY-VLIAUNLRSA-N 427.928 4.597 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(CC)CC)cc1 1862672999 JNGXDAGDDLKXCN-HSZRJFAPSA-N 438.543 4.698 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862694128 BWVOCYQVNLFMFN-NRFANRHFSA-N 436.464 4.514 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862794809 HIMLJOJSTKKZMR-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCC3)C2=O)cc1 1863349054 WHOFUEHEINBPCD-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2ccccc2OC)C1=O 1863434657 HYLZCTUOCINNHY-UHFFFAOYSA-N 433.552 4.700 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCn2ccnc2)=C(c2cccs2)C1=O 1863808459 NBIJQSOMTFYXDN-UHFFFAOYSA-N 442.629 4.845 30 10 IJEE C=CCOc1cn(Cc2ccccc2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870244164 CKWNMABZTUAQNX-UHFFFAOYSA-N 431.561 4.814 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC=C(C)C)cn1C[C@H](O)c1ccc(Cl)cc1 1870613128 FZFDEJJICGTBLY-DEOSSOPVSA-N 442.987 4.754 30 10 IJEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(Br)cc2C)cc1=O 1870812082 NJDVUSBOQIYYEK-UHFFFAOYSA-N 440.341 4.539 30 10 IJEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CNc1cccc(Cl)c1C 1870886308 BFFWMRNVIIWULH-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CNc1ccccc1 1871204968 WLBLVWCYRFDGIL-UHFFFAOYSA-N 428.488 4.640 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871382217 OOOBCIGIJRXTLD-RQXPBMLRSA-N 444.414 4.847 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cc(OC)ccc1OC)C2=O 1871434138 RJWDDVIXNRBKBF-HBEGMLAUSA-N 440.492 4.739 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)c(C)c3)ccc2C1=O 1871459687 XQYLTFCBHGYRTB-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872575413 MTIPOMMDSNMSBK-QFIPXVFZSA-N 444.597 4.523 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cc3ccccc3)cc1)n2CCOC 1873615214 NRLGAPYMNOZIOO-UHFFFAOYSA-N 441.535 4.519 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccn1 1874314336 NYMYLXAYJAMLNC-JVWAILMASA-N 447.539 4.781 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Br)cc1 1874318874 NMMNCLPXJLWTCT-SRZZPIQSSA-N 431.359 4.841 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1)Nc1ccccc1F 1874420302 GQKNPVGRLZJMNZ-YDZHTSKRSA-N 437.525 4.759 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2sccc2C)o1 1874459925 FBBWYSKFMHYKKJ-ODCIPOBUSA-N 444.460 4.611 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)N[C@H](C)c3ccccc3)c2)c1 1874593868 FXBORRWSPNSODZ-XYDKVEKUSA-N 445.515 4.856 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccccc1C 1874594398 ICTSSUDHILQCRA-WYMLVPIESA-N 431.488 4.926 30 10 IJEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1874634639 MGVOXFNTXWXXFP-AATRIKPKSA-N 439.291 4.767 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875112708 GXDAXCFVKLBQPS-MDWZMJQESA-N 439.464 4.994 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1OC 1875148708 LFDDGNNUDIKYST-JXMROGBWSA-N 446.455 4.590 30 10 IJEE N#Cc1cccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)c1 1890023875 MQQOABYFEUDDIE-UHFFFAOYSA-N 427.348 4.558 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1890477777 LBWRJFBAEIDUCP-VWLOTQADSA-N 444.966 4.866 30 10 IJEE C#C[C@H]1CCCCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1984724098 IZQQZINLDQHERE-RXFWQSSRSA-N 444.575 4.812 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2016175746 MSALNOCYDMVZNY-DWKCODDLSA-N 437.556 4.938 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2020316726 FHGFLKOLIAWPGA-YADARESESA-N 437.625 4.617 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C#N)(c1ccccc1)N(CC(F)(F)F)C(=O)OC(C)(C)C 2020672898 YVCXJKSEGFEZRP-FQEVSTJZSA-N 443.466 4.730 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2c(Cl)cc(F)cc2Br)C1 2077088634 XDCZKFDSNJVGHQ-UHFFFAOYSA-N 433.705 4.794 30 10 IJEE C=CC1(NC(=O)c2cc(I)ccc2Br)CCCCC1 2121648872 HVTKZJZGFLXFSW-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c2nsnc12 2137387088 NVYFIYBLBIMLIO-ZIAGYGMSSA-N 441.395 4.574 30 10 IJEE CC1(C)OB(c2ccccc2COc2ccc(Br)c(F)c2F)OC1(C)C 2152615176 GYJWAJIHTDRTOH-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 2159126569 WLKUCNPLSNBZBR-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE COc1ccc(Oc2cc(Br)cc(F)c2C#N)cc1I 2163705508 OKWBWKXNRQCQEI-UHFFFAOYSA-N 448.029 4.865 30 10 IJEE Cc1ccc([C@H](C)N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)s1 2172776380 OSIXMPASJDOZNA-ZDUSSCGKSA-N 437.212 4.711 30 10 IJEE CCN(c1ncc(Br)cc1C#N)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174809283 YFDMFXWEGUEIQH-YOEHRIQHSA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181136161 HCLFYAQTRRYTNO-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE Brc1sc(C#CC[C@@H]2CCCCN2)c(Br)c1Br 2216391314 FSSLIKNUQORIEB-QMMMGPOBSA-N 442.014 4.919 30 10 IJEE CCN[C@H](C#Cc1ccc(C)cc1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223325916 GUYLLBJMWAHTDJ-JWQCQUIFSA-N 436.596 4.825 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@H](N)C#Cc1ccccc1Br 2235746697 KXGVTNIQZXVXJY-QWFCFKBJSA-N 435.406 4.992 30 10 IJEE C#CC[C@@H](CC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237431990 PAXLQVDNIIYEKB-QFBILLFUSA-N 434.374 4.894 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@@H](O)CC#CC1CCCC1 2289901945 VWEOYGMQTQBZDF-PMACEKPBSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](O)C#Cc3cccc(Br)c3)C[C@@H]21 2296232120 KRKHZEJSVWGOQL-QGZVKYPTSA-N 434.374 4.587 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296302466 JJJGCTZURTWHDF-NBCNXNJRSA-N 435.406 4.672 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2296603241 LCUMJTPPJIWSNP-DEOSSOPVSA-N 442.515 4.799 30 10 IJEE COc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2296871454 YCPYSXPVYULRRS-UHFFFAOYSA-N 442.876 4.733 30 10 IJEE CCOc1cc(C(=O)OC)cc(NC=CC(=O)c2ccc(Br)cc2)c1OCC 2296875693 CBNOPMUZUFDTRP-UHFFFAOYSA-N 448.313 4.842 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1C=Cc1ccccc1)c1ccc(Cl)cc1 2297709369 YFMILHBHIZZQCC-OAQYLSRUSA-N 447.922 4.546 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=NN=Cc2cccs2)N1Cc1ccco1 2314818189 BONCIBYGNYEWES-UHFFFAOYSA-N 438.490 4.756 30 10 IJEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1[N+](=O)[O-] 2323331457 HHFMCYKXLRFKNL-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OCCC)cc2)cc1OCC 2323934261 HRNUXMCEGZGSEM-UHFFFAOYSA-N 425.525 4.675 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 2325263485 SJMMURBNWJYWKC-UHFFFAOYSA-N 449.390 4.796 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325330526 RTDRBIRNKMSTKT-GFCCVEGCSA-N 437.275 4.567 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OC)c1OC 2325511776 UVBZYTUSLYXAJS-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE Cc1ccsc1C=Nn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCCCO 2326936722 KZNMAAGWRMTHKO-UHFFFAOYSA-N 430.643 4.764 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c(OC)c1 2328796810 QOOOTZWJGCZXNC-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(C(=O)OC)cc1 2328799190 XQACAZBTTSVBOX-UHFFFAOYSA-N 438.553 4.645 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1F 2329611076 HPIZXZPVKTVJRN-UHFFFAOYSA-N 446.935 4.911 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccc2)o1 2330269749 MCSZVMZEXZWDBC-UHFFFAOYSA-N 438.553 4.955 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170209 PLPAVBKVGBPUJZ-UHFFFAOYSA-N 431.400 4.635 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2331292878 QJHBHNYGBMHCCY-UHFFFAOYSA-N 435.380 4.991 30 10 IJEE CCc1csc(C#C[C@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)n1 2338647140 DYFODXLVIYSMAH-INIZCTEOSA-N 437.359 4.900 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]21 2339539384 GZEDJITUAOGPKP-GBESFXJTSA-N 441.381 4.536 30 10 IJEE Cc1cc(CNC[C@@H]2CN(Cc3ccccc3)CC2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682952 SOQNFWDWUADCAY-XMMPIXPASA-N 448.460 4.542 30 10 IJEE CC1(C)OB(c2ccc(CSCCOCCC3CC3)cc2Br)OC1(C)C 2377292326 ATNXRNOAQRTPPF-UHFFFAOYSA-N 441.240 4.798 30 10 IJEE COc1ccccc1N/C(=N/C(=O)c1ccc(C)cc1)N1CCN(C2CCCCC2)CC1 15729065 BLJYMVSQBVCDGW-UHFFFAOYSA-N 434.584 4.562 30 10 IJEE Cc1cccc(CSc2nc3n(n2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N3)c1 20327863 NDBSMNJJRJHRQV-NRFANRHFSA-N 447.520 4.809 30 10 IJEE CC1(C)Cc2c(C#N)c(SCc3ccccc3Cl)nc(N3CCOCC3)c2CO1 21150601 GZJQREUFFIIEGX-UHFFFAOYSA-N 429.973 4.587 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCc3sccc3[C@@H]2C)c1=S 23854535 DCMRYTADZBPRBV-KXBFYZLASA-N 440.594 4.751 30 10 IJEE COc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)c(Br)c1O 33309233 CNXJHQCUMAEMSJ-JYRVWZFOSA-N 439.718 4.708 30 10 IJEE Cc1c(C(=O)COc2ccc(C(C)C)cc2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38623281 SKEKIJAGRUASHL-SFHVURJKSA-N 430.504 4.728 30 10 IJEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nnc(SCc2cccs2)s1 98081031 IFWBUCPXBWYZOF-UHFFFAOYSA-N 427.536 4.708 30 10 IJEE COc1cc(/C=N/Nc2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 169876926 YXKPCCHPRCCFOY-ZMOGYAJESA-N 435.436 4.635 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2cccnc2)s1 170005170 FMXLJKDVOAZEHP-QGZVFWFLSA-N 443.887 4.730 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 170056954 AUCJFZZMKVPDHR-NRFANRHFSA-N 438.911 4.825 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1cccc(OC)c1 170120597 WVPZSRLLAIXUSW-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1c[nH]c2ccccc12 170188362 ARNBSIDGIWGFDP-NRFANRHFSA-N 429.863 4.999 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)c1 170199336 MZBWTNUFPKZTPW-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1OC 170236975 IELOBOYYMFFGIJ-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(F)cc2)cc1 170237963 KTPXWJXSWQWMOA-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1C 170241824 RMYHGHQRCOVRSB-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1cccc(O)c1 170263075 KJAHAHPQOMRUTM-QGZVFWFLSA-N 436.291 4.696 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCN(C)C)cc1 170267144 QYGNUCUODWXVMY-VWLOTQADSA-N 446.591 4.658 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1ccco1 170274210 WQIZTHBPHUUPIL-QHCPKHFHSA-N 429.472 4.692 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2sccc2C)cc1 170317241 HJXFURABGVMCEZ-HXUWFJFHSA-N 434.517 4.629 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2CCC)c1 170324298 HNBHGHQKIGBDLG-JOCHJYFZSA-N 435.520 4.865 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)cc1 170420903 MSPYNKJXJXLABU-OAQYLSRUSA-N 447.512 4.703 30 10 IJEE Cn1ncc(N=Cc2ccc(COc3cccc(Cl)c3)o2)c1C(=O)NCc1ccco1 254385806 OQLPCQUVOUKEBG-UHFFFAOYSA-N 438.871 4.519 30 10 IJEE CC(C)CCC[C@H](C)[C@@H]1CC[C@H](C2=C[C@H](O)[C@@H]3C[C@H](O)CC[C@@]3(C)C2=O)[C@]1(C)CCO 257451531 JBBOTAYOANLXIB-MGLOAWRHSA-N 434.661 4.901 30 10 IJEE N#Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 426136940 CRLFNAJSJIMPII-UHFFFAOYSA-N 437.714 4.508 30 10 IJEE C=CCN(C(=O)c1ccc2nc(-c3ccccc3)oc2c1)c1nc(C(=O)OCC)cs1 483368395 CFFDSHCKJMSZRH-UHFFFAOYSA-N 433.489 4.961 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508862506 DZJNKKVQJQXQNH-KRWDZBQOSA-N 436.585 4.658 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc(C3CCN(c4nc5ccccc5s4)CC3)n2)c1 547061720 GBMNUUOOIWXUQM-UHFFFAOYSA-N 445.548 4.646 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCCO2)cc1 579500324 DKVRRDATXDDWQY-KNQAVFIVSA-N 425.577 4.535 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)c3ncc(Br)s3)c2)cc1 617991102 ACXSOBIHVBNVOW-UHFFFAOYSA-N 428.311 4.803 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1cc(Br)cs1 730688122 RWAPYTBNWJLKBZ-KRWDZBQOSA-N 433.371 4.916 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccc3c(c2)OCCO3)=C(/O)c2ccc(C#N)cc2)cc1 762445601 UYPKISNTKKLUSC-UHFFFAOYSA-O 444.536 4.503 30 10 IJEE CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/COc3ccc([N+](=O)[O-])cc3C2=O)cs1 788358247 GBEZTPUQSPXEAR-JYRVWZFOSA-N 439.424 4.534 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)Nc1cc(C#N)ccc1OC(F)F)C2 796094827 SIORXTUISAKWPD-RXDZZFBJSA-N 449.498 4.818 30 10 IJEE COc1ccc(Cl)cc1N=Cc1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 1084302570 GTIQUQOQHVBAOG-UHFFFAOYSA-N 426.856 4.903 30 10 IJEE O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cnnn1-c1cccc(F)c1 1128122672 HFGOYMBFQPZKLD-OAHLLOKOSA-N 446.326 4.849 30 10 IJEE C=CCOc1ccc(CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)C(C)(C)C)cc1 1128251676 GWSARSYXIMKVTM-XMMPIXPASA-N 433.552 4.602 30 10 IJEE C=CC[C@H]1N(C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)CCCC1(C)C 1128468787 KQMAFRUIVNHTCS-QGZVFWFLSA-N 427.595 4.780 30 10 IJEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccc(Cl)cc1F 1129615944 KAQCINCTFWMMEB-QFIPXVFZSA-N 441.911 4.557 30 10 IJEE CCc1cc(Br)cc2c1N(C(=O)CCc1c(C)nc(O)c(C#N)c1C)CCC2 1129943795 VSDRYNKOOYMBET-UHFFFAOYSA-N 442.357 4.513 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1152029494 OBUNZRIBRMDWGJ-UHFFFAOYSA-N 442.494 4.606 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(CCN(CC)CC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1152337484 FXVOTDKYRDIGGH-AREMUKBSSA-N 447.664 4.693 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ncnc(-c2ccccc2)n1 1162037308 CUKFVPULUYIDHG-UHFFFAOYSA-N 436.928 4.700 30 10 IJEE C#CC[C@H]1CCN(CC(=O)N(CC=C)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 1176068948 FXHADHDSFZPGHI-HNNXBMFYSA-N 434.392 4.981 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC 1179685366 KZHHRYPVWLGWMC-CQSZACIVSA-N 435.318 4.824 30 10 IJEE C[C@@H]1[C@@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)N(C)[C@H](C)CC#N)CCC[C@H]1C 1209136186 CSLXDKIZCNOORY-DICRZQGBSA-N 429.989 4.585 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](C)C(=O)NCCc1ccccc1)c1ccc(C(F)(F)F)cc1 1224641870 MDYJBDUSOKMRRO-DYESRHJHSA-N 447.501 4.759 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1286682097 CWFSDZKPYGXYRP-IBGZPJMESA-N 439.604 4.678 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1 1286703665 QAVAMRDKERUIFF-UHFFFAOYSA-N 436.629 4.511 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(F)(F)Br)C1CC1 1286732323 PPCSXBCWXYKCLV-LBPRGKRZSA-N 445.283 4.700 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C1CC(C(C)(C)C)C1 1286745814 YKCRMADOISDOCZ-UHFFFAOYSA-N 439.579 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2CC(OCC)C2)C1 1286803093 GKQIQBOWCAHQTF-TWMPVWRBSA-N 430.980 4.585 30 10 IJEE C=CCc1ccc(OCC(=O)NCCc2cc(Cl)cc(Br)c2)c(OC)c1 1288292855 RKGBOGZZXRXUGL-UHFFFAOYSA-N 438.749 4.577 30 10 IJEE C#C[C@@H](NC(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccc(Cl)cc1 1298924639 MKZQNEDHAUYRRY-HXUWFJFHSA-N 428.916 4.581 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Br)c1 1299427208 FMIYDODMUOYOIZ-MRXNPFEDSA-N 445.785 4.968 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(SC)CCC1 1300611845 MPYJCLQLSWAVEI-UHFFFAOYSA-N 433.419 4.761 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1300829491 FEHICPWENSCBHI-BBRMVZONSA-N 434.338 4.777 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)Cc2cccs2)CC1 1301108634 UOGVCUDUBNLJRA-QGZVFWFLSA-N 429.634 4.539 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1301159571 BJZJOLJDTMNRNT-OAQYLSRUSA-N 449.603 4.546 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1301166312 UAPWBCXEHMUZIX-VAMGGRTRSA-N 434.506 4.921 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1301365476 QLCZLBJRIYSYBZ-KRWDZBQOSA-N 445.633 4.740 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2cccnc2)C(C)C)C1 1301545934 NTSPAPIVIYQDAE-LADGPHEKSA-N 431.584 4.870 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)C1 1301554011 WMFFIJGCCFWYTQ-UNMCSNQZSA-N 435.547 4.700 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 1301558543 WWGOETLUBOWOLR-PKTZIBPZSA-N 439.648 4.513 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1301604266 QISTXXYPEMQFDY-UHFFFAOYSA-N 435.597 4.652 30 10 IJEE C=CCSCCn1c(N(Cc2cccc(F)c2)C[C@@H]2CCCO2)nnc1C(C)(C)C 1301621161 SAXBNPZYNRDWAD-FQEVSTJZSA-N 432.609 4.820 30 10 IJEE C[C@@H](NC(=O)N[C@H](c1cccnc1)C(C)(C)CO)c1ccc(-c2cccc(C#N)c2)cc1 1312478498 HHPMSPGAUFTGNU-HOYKHHGWSA-N 428.536 4.740 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H](O)C1 1314729346 FWRSEIQWJRQOIW-FUHWJXTLSA-N 441.988 4.719 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)C1 1320353519 SVKHSMWOANWKJS-NRFANRHFSA-N 433.508 4.631 30 10 IJEE C#CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)CCCCC1 1350497219 WINFNKPJHHLGRB-UHFFFAOYSA-N 440.565 4.717 30 10 IJEE COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 1352714152 GSLMFGQXGBSQJF-AOYPEHQESA-N 439.515 4.998 30 10 IJEE CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)sc2C)s1 1355348060 AOVHCNDAEFVTEI-CYBMUJFWSA-N 438.578 4.505 30 10 IJEE C=CCc1cc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc(OC)c1OC 1355683086 LDUCBFVDSVFBKA-UHFFFAOYSA-N 437.536 4.793 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC[C@@H](C)C1 1358875635 TYAXOKIXCWQAGW-RTBURBONSA-N 448.640 4.567 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)OC1CCCC1 1359127192 KQJTZERJTWEQCN-UHFFFAOYSA-N 435.366 4.611 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1359161309 YMMBHMVGKMYQMD-ROUUACIJSA-N 432.515 4.908 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1359162049 BETMXNCIINYBHF-LAUBAEHRSA-N 428.964 4.745 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cscn1)c1ccccc1 1359194837 CEPGSTQFGYQLGO-OAQYLSRUSA-N 430.581 4.717 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCCC)CC1 1359203801 WCGWXILKZMTXAV-OFNKIYASSA-N 440.588 4.932 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1csc(-c2ccco2)n1 1359235445 ZYQASYODNRZQAX-UHFFFAOYSA-N 441.944 4.994 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCSC(F)(F)F)C1CC1 1359247022 QHLMCOUKNIALNO-CYBMUJFWSA-N 430.471 4.965 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1 1359338291 QTKHORZDYLAZID-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1359926769 AXZQIKGDNYVQKE-PMACEKPBSA-N 434.588 4.744 30 10 IJEE CC#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1452867840 YSOBKZYSSLFESS-NUTRWHQKSA-N 440.543 4.624 30 10 IJEE C#CCOc1ccc(C(=O)N(CCCN(C)C)C(c2ccccc2)c2ccccc2)cc1 1456004221 SKUAXSCARXOJPN-UHFFFAOYSA-N 426.560 4.882 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OC(F)(F)F)c(C#N)c1 1461459419 BYKAVJWJGODBAI-UHFFFAOYSA-N 425.204 4.843 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1465006630 BAOYNWWVJHCMSK-GCJKJVERSA-N 433.618 4.896 30 10 IJEE CCCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC 1465429908 AJWXUAIQMVSZEN-UHFFFAOYSA-N 432.480 4.865 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 1468953762 GHDRPEHQQAARFQ-UHFFFAOYSA-N 426.398 4.764 30 10 IJEE C#CC[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccccc1 1469448504 PPOVAZNVXRVTGG-IFMALSPDSA-N 433.552 4.979 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)C1 1469921582 WNIXFLKHDUECBM-KRWDZBQOSA-N 432.973 4.593 30 10 IJEE C=CCn1c(Sc2cc(C)nc(OC)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472646822 KFNNJYFVXFBHLJ-UHFFFAOYSA-N 436.562 4.878 30 10 IJEE C=CCC[C@@H](CCC)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1474476119 VMTMYLLIMFAHOB-UXHICEINSA-N 426.386 4.980 30 10 IJEE CCOC(=O)c1c(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c(C#N)cn1CC 1476760307 DBNVPAXPVGTVDB-NJYVYQBISA-N 434.540 4.746 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(Br)cc(Br)c2)cc1 1476909953 GUWZAGKCHHQGIA-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2Oc2ccc(OCCC)cc2)CC1 1477803546 UYZXIUDYTYIIMW-RPWUZVMVSA-N 429.605 4.505 30 10 IJEE COC1(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)CCC1 1504038647 DPHCJHNTIIKPOS-UHFFFAOYSA-N 434.371 4.951 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1507524359 ARQDXLFWGSVEAU-LJQANCHMSA-N 439.604 4.795 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCc1ccc(Cl)s1 1507548185 RSWYLLWUSAMYFU-OAHLLOKOSA-N 447.029 4.995 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1O 1507578360 WUMDVRHMWDSQSR-UHFFFAOYSA-N 431.359 4.525 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1507680919 LOSNIUXVMRMZNR-WIYYLYMNSA-N 431.378 4.515 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H](C(C)C)N1CCCC1 1507699389 GGLJLWLIBYCHGN-REWPJTCUSA-N 425.596 4.691 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(F)(F)C1 1507746111 KYGAOIDICQMWKK-UHFFFAOYSA-N 441.551 4.564 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCCC[C@@H](SCC)C1 1507753623 NAPMCWYCBHATBN-OAQYLSRUSA-N 428.671 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](CC(C)C)N(C)C 1507765616 TYYKALVCAGNKFM-PIBDYAPNSA-N 441.595 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCOC 1507796543 MHFLIOCGHCMBEW-FGSXEWAUSA-N 444.645 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC 1507799745 ZZBUZEATXPUBNL-KDOFPFPSSA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CCCN1C[C@@H](C)C[C@H](C)C1 1507819491 ZYRZEIRNYKOUMA-SFTDATJTSA-N 425.621 4.724 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCCC[C@H]2CC)CC1 1507889426 VHJVZWISJYDDEO-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1scnc1C 1507925490 HIZPRECVIGMJFM-UHFFFAOYSA-N 435.395 4.793 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@H]1C(C)C 1508006718 KSJXCNBKDNLVKI-NQIIRXRSSA-N 425.602 4.979 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H](O)C1 1508009385 PJHPURIWEWGUFZ-FPOVZHCZSA-N 433.581 4.622 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cccc(Br)n1 1508018141 OCBSJXBFPHCBTO-UHFFFAOYSA-N 449.356 4.811 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC[C@@H]1C)c1cccnc1 1508863175 HETIJGQXKBDTOM-WMZHIEFXSA-N 444.583 4.655 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2C[C@H](C)O[C@H](C)C2)c1C 1510370711 CQLAEAHYMNMGPP-AMUINCDKSA-N 439.604 4.834 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CC(C)(C)C2)cc1OC 1515128270 GJCVOANOJGGKRY-KRWDZBQOSA-N 425.577 4.775 30 10 IJEE C[C@@H](NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1515234560 FKAMQKIZYCELRL-BCHFMIIMSA-N 443.522 4.615 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)cc1C#N 1519543064 GBSKZIBCHWCGOB-UHFFFAOYSA-N 438.484 4.750 30 10 IJEE C#Cc1cncc(C(=O)Nc2cc(Br)cc(C)c2NC(=O)OC(C)(C)C)c1 1522201784 CVSWEHHUUMGOPL-UHFFFAOYSA-N 430.302 4.733 30 10 IJEE C#CCSCC(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)OCC 1522391227 ODADKWHKTQQBFJ-UHFFFAOYSA-N 438.368 4.659 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3cccc(F)c3o2)c(C(=O)OCC)c1C 1524509153 OGHLFFRLIZDTJZ-UHFFFAOYSA-N 431.441 4.714 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C)CC=CC2)c1 1527004684 SLXUNJCRQCVLAI-UHFFFAOYSA-N 430.957 4.560 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C 1528685829 MAUIHJQAZHSWHX-HSZRJFAPSA-N 431.536 4.955 30 10 IJEE C=CCN(C(=O)c1sc(Cc2ccccc2)nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1529015681 ZLJQQTVFWZGIMX-JOCHJYFZSA-N 448.588 4.845 30 10 IJEE CC(=O)c1ccc(Br)c(NC(=O)c2occc2COc2cccc(C#N)c2)c1 1535749044 DLUKTFNDBDZUML-UHFFFAOYSA-N 439.265 4.948 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1539874354 DRVHOQIRPQUQQK-JOCHJYFZSA-N 428.989 4.970 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1540007474 PJEWXGPTMPVFQO-UHFFFAOYSA-N 438.938 4.912 30 10 IJEE C=CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1540114269 KCJFORNMYIJVQY-HYBUGGRVSA-N 438.616 4.896 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1sc(C)nc1C 1540121809 NVIYVWMURICXKV-UHFFFAOYSA-N 441.564 4.526 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1C[C@H]1CF 1540127926 WXIXYCVMFJGLJR-DXBBTUNJSA-N 437.563 4.791 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@@H](C)C2)c1 1543739062 SGMRBINOTXFXAN-QZTJIDSGSA-N 447.000 4.887 30 10 IJEE COc1cccc(N(CC(=O)Nc2cc(C#N)ccc2NC2CC2)C(=O)OC(C)(C)C)c1 1556345905 CIDDUQMVMXIGIP-UHFFFAOYSA-N 436.512 4.521 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1556532334 RTJSIMXRFYBSKN-FQEVSTJZSA-N 438.527 4.576 30 10 IJEE C=CCn1c(SCC(=O)CC[C@@H]2CCCCO2)nc2sc3c(c2c1=O)CCCC3 1559330568 GIJGVHPMOKVPRZ-INIZCTEOSA-N 432.611 4.533 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F 1560507785 AJCNECKDUHBRKB-CQSZACIVSA-N 448.379 4.702 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NCCN3CCCc4ccccc43)c2)cc1 1562206072 AGUCATWEIQQJHR-UHFFFAOYSA-N 440.547 4.906 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1C)c1ccc(Br)cc1 1562294310 UDZFNCDGNQQJLZ-IBGZPJMESA-N 442.357 4.639 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 1565630557 FITAFTKFJWUMDD-DLBZAZTESA-N 425.451 4.636 30 10 IJEE N#Cc1nc(NC(=O)c2cccc(COc3cccc(F)c3)c2)ccc1Br 1584530417 HIZJLJHUXRBRQF-UHFFFAOYSA-N 426.245 4.686 30 10 IJEE C#C[C@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1 1584689148 GZXGCFSPUMECDF-PMACEKPBSA-N 431.761 4.730 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1ccc(F)c(F)c1 1585435350 MKDDMVVBUMGIJO-AOMKIAJQSA-N 448.535 4.575 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1587749909 PPZXAMARWFHCOJ-UHFFFAOYSA-N 427.474 4.939 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1c(C)noc1C 1587817779 GYAZIDBBFDFNOZ-UHFFFAOYSA-N 446.324 4.501 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(Cl)s1 1588093776 PWSNUFDDRKUXLF-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(Cl)s1 1588181515 VTNIUIZXJPTIMT-MRXNPFEDSA-N 442.947 4.783 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1589142480 IIMCWGNWOAFBDV-KHCICDEESA-N 441.620 4.573 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H](C)CCC 1589347281 MFQQQOGAKLTARL-AWEZNQCLSA-N 437.382 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC(F)(F)CO1 1589615217 NHSNPZGIMGIDJN-GFCCVEGCSA-N 447.349 4.596 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCSC2(C)C)CC1 1594133950 HIEHGWZBJCCALB-LJQANCHMSA-N 442.629 4.944 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C(C)C)C1 1594497672 LTYPNGRLKKBESU-NHCUHLMSSA-N 442.629 4.971 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1594698819 XKGMETIYHUVXCC-HXUWFJFHSA-N 444.482 4.992 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1C 1595085023 OHAVPHRZXMBCSX-REWPJTCUSA-N 431.584 4.901 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(CC)C2CC2)C1 1595689876 XZBQCDHWUZJKIR-HSZRJFAPSA-N 437.632 4.508 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@H](F)C1 1619899719 GAOVNIZFAUPQBF-RTWAWAEBSA-N 427.568 4.530 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccccc2F)s1 1626096493 WWNTXAAZPXMJJR-INIZCTEOSA-N 439.940 4.847 30 10 IJEE C#C[C@@H](NC(=O)CSc1nccn1-c1cc(C)cc(C)c1)c1ccc(Cl)cc1F 1627268584 ODWGFCMEFRFISV-HXUWFJFHSA-N 427.932 4.864 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c1 1627477789 ZFAHGKJXMFTILI-LJQANCHMSA-N 433.529 4.767 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1)C(=O)OCC 1627752467 PNQVLLILUCTEKA-DEOSSOPVSA-N 445.563 4.843 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 1634628957 MAIRQPGJLMOVRV-LJQANCHMSA-N 438.528 4.522 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1635343724 WMEOCBHTBVLLMH-HNNXBMFYSA-N 436.364 4.965 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)c1 1637924305 DEKYAKPUYNLUCC-GHTZIAJQSA-N 429.969 4.593 30 10 IJEE C#CCN(CC(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1)C(=O)OC(C)(C)C 1639981773 ZISPEBLUDMXTIY-UXHICEINSA-N 436.552 4.874 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 1641641171 FUUSBRQCVHPBLM-UHFFFAOYSA-N 425.897 4.573 30 10 IJEE C#C[C@](C)(CC)N[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)c1ccccc1 1645750779 ORDXSPKUCBCKKI-PXDATVDWSA-N 438.593 4.875 30 10 IJEE C=CCN(Cc1ccccc1F)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1652333585 UVRPRHILSLZTSQ-RUZDIDTESA-N 438.568 4.842 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@](CC)(C(=O)OC(C)(C)C)C2)cc1OC 1653032719 HHOMUGDHOCJGRJ-RCZVZRIZSA-N 429.557 4.634 30 10 IJEE CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 1654205634 AJZJJYGPCSYSPW-KRWDZBQOSA-N 434.765 4.866 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(Br)cc1 1655458749 GHQOCMPZBBIHGO-SFHVURJKSA-N 436.371 4.542 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)n(-c2ccccc2)c1C 1655719643 FSZZIJYSECWCFO-OFUUFJSKSA-N 442.563 4.755 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 1659740715 CGZCUDHDOYZSLW-UHFFFAOYSA-N 439.531 4.765 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC3(CC2)CCN3C(=O)OC(C)(C)C)cc1OC 1665032799 URAGCWARSMBYCK-UHFFFAOYSA-N 436.980 4.889 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 1668073069 TWISNNWTYSTBHR-OPAMFIHVSA-N 426.538 4.712 30 10 IJEE C=CCCSCCNC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1669025423 LAPZNUWWXBFQCK-SFHVURJKSA-N 426.508 4.701 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 1674150112 URAYGKLVCXCGHQ-MGPUTAFESA-N 434.462 4.871 30 10 IJEE CCOC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(OC)c1 1674514231 HLVKWKLDMVXUIU-OXQOHEQNSA-N 441.553 4.905 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(-c3cccc(Br)c3)c2)c1 1674989101 FAEMSEOCHPPFTN-UHFFFAOYSA-N 448.320 4.858 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 1681778905 HRFGUTAVACSEHX-DJJJIMSYSA-N 445.293 4.628 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1683528221 UGZVMUREYGFTET-UYAOXDASSA-N 448.336 4.601 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)CCC 1690238983 PXJMZPYZLZWYIS-PKOBYXMFSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)C1CCCCC1 1690260332 HTQVSXJZTNDQQA-UHFFFAOYSA-N 439.604 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCOc1ccc(Cl)cn1 1690267091 TWTGSRYERPJNDY-UHFFFAOYSA-N 447.917 4.677 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)c(F)c1 1690320045 HTLBNQPSJJVJLD-WIYYLYMNSA-N 448.558 4.704 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690334127 FEEYKDBQHGZMMC-LLVKDONJSA-N 431.787 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1690436139 LFKCCWBAAIHOCO-IBGZPJMESA-N 426.605 4.678 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@H]1C 1690510916 JQKBTKWGOKTASU-VQTJNVASSA-N 426.605 4.982 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1ccsc1 1690660568 KMJDNPFWUGSQRR-LEWJYISDSA-N 435.597 4.525 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1705477681 RCTFNYVVABQWAH-HZPDHXFCSA-N 441.576 4.817 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1705524766 RWOCAJINLBQGDO-XMMPIXPASA-N 430.600 4.834 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1705677659 XDGNRBSGOXRMEH-RMUDUWAUSA-N 436.600 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)c1c(C)noc1C 1705716396 JPQDYDRPBSDHSU-KKSFZXQISA-N 437.544 4.602 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1705721840 BUAZTZKFHITSJL-LJQANCHMSA-N 443.345 4.763 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1705745759 HCXPFUJDJBQYPF-IBGZPJMESA-N 444.988 4.953 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 1705758752 CLXHNKLRBZKLQJ-UHFFFAOYSA-N 430.911 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CCCO)CC1 1705786249 JMXGINOHUFMSQT-UHFFFAOYSA-N 448.615 4.926 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705790009 GHLLKORVIOJIQK-LJQANCHMSA-N 442.579 4.708 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 1705796425 FBDFBHGLMKMLPO-NRFANRHFSA-N 429.559 4.683 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1705797433 WGTNDOGTMNJKOS-UPVQGACJSA-N 445.611 4.877 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705838593 UUOSJMKKBPKSPH-HNNXBMFYSA-N 437.947 4.663 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1705856207 KMOZIHAHCCLOCP-MSOLQXFVSA-N 428.602 4.549 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)ccc2C)n1CC1(C)COC1 1705868377 KVSYSFMNDJVEAI-UHFFFAOYSA-N 438.597 4.765 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(CCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)(N(C)C)C1 1708027046 GVMPGCQKGYXOFG-XCRWMPKNSA-N 448.659 4.704 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1722310187 IJQPEEUFVHURBP-HXUWFJFHSA-N 442.466 4.521 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCSC 1722311423 GXHVVXSVVAVPRY-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1722319807 PPYOCKKQJVSQLO-IRLDBZIGSA-N 438.547 4.562 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccccc1)C1CC1 1722340891 LLYHMNIAMUQSML-QFIPXVFZSA-N 449.599 4.933 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722398599 DNZSMWMOFAWPJS-SFTDATJTSA-N 428.502 4.820 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C1CCCC1 1722415830 DYDAHDYFMFFKCY-UHFFFAOYSA-N 432.037 4.558 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1Cc1sccc1Br 1722416234 YJZSUVUPPAIRCJ-UHFFFAOYSA-N 443.414 4.785 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722457139 RIOYFCNAIBZPPW-FQEVSTJZSA-N 438.622 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H](CC)N1CCc2ccccc2C1 1722512962 NYPQSHNPNMBDGS-HSZRJFAPSA-N 430.600 4.579 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H](c1ccccc1)N1CCCC1 1722514260 AKGXGDODMGDQMS-XMMPIXPASA-N 430.600 4.503 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)[C@H]1C 1722529472 UBQBPWIVHIIGBX-HKBOAZHASA-N 444.645 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCOC(C)(C)C)CC1 1722560706 CNIWRTYVVUPUNN-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1722567550 CCOIDXQBGPMUIA-HXUWFJFHSA-N 425.964 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cn2cccn2)CC1 1722585065 POYJKRJPCJAAGN-UHFFFAOYSA-N 434.588 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722588428 SKHCBQVIKNGFFW-OAQYLSRUSA-N 430.559 4.999 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1ccc(C)o1 1722593666 YFJCBEAXVOQEDV-ZJOUEHCJSA-N 428.577 4.847 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CC(=O)NC1CCCCC1 1722660401 VFBZIHUFGNSWJL-UHFFFAOYSA-N 439.579 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)NCC)c1 1722660617 AGGIEJHPUGDZKV-UHFFFAOYSA-N 437.613 4.628 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1722662686 LJYGZEUMYKUHLA-HMXCVIKNSA-N 430.618 4.835 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722671026 GBMOAWZEYKRWHE-LJQANCHMSA-N 427.593 4.514 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2OC)n1[C@@H]1C[C@H]1CF 1722676081 URQUETMLDYIFBI-HNAYVOBHSA-N 430.911 4.966 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)C[C@@H](C)c2nccs2)nnc1C(C)(C)C 1722708512 WQZPLGGPCUNOFY-QGZVFWFLSA-N 425.602 4.885 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1)SC 1727142862 CZSCWQIVKCROAM-LEWJYISDSA-N 439.629 4.886 30 10 IJEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC)CCCC2)C1 1728166848 AZBVCUVNTQZTRI-JOCHJYFZSA-N 448.615 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccnc(SCC)c1 1740533801 DOGNILCMVMAFCA-IRXDYDNUSA-N 439.560 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1740536037 YNWBZUSYABBMFV-ZJSXRUAMSA-N 442.611 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(OCC)CCCC1 1740538951 LTXPORFRNNBEBY-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H]1C 1740577647 KYZRPCOZZXKOJI-DLBZAZTESA-N 431.378 4.658 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1 1740604300 WEYAZGAROPPNNG-QGZVFWFLSA-N 432.515 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1OCC[C@H]1C 1740734989 IINQHRFFAXXYRE-ZWDAVXSWSA-N 431.005 4.641 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1740804976 HOQCQBOHAGFKQA-PBHICJAKSA-N 440.922 4.940 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(CCOC)CC2)CC1 1740832832 IYXYTTGTHFSJMD-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740864365 MABKUJYDUNYGPS-GOTSBHOMSA-N 429.653 4.968 30 10 IJEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)C(C)(C)C1 1740888075 ISMHUCZAWOWHLE-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749239740 OZGFKUMNUIGPGY-DVECYGJZSA-N 442.629 4.941 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C)c1ccccc1 1749247320 VHCBAUPFNYREJB-JTHBVZDNSA-N 437.632 4.711 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(F)(F)CC1 1749277435 BPYRDUFGPAJOBM-UHFFFAOYSA-N 447.711 4.608 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN(C)[C@H](C)CC)CC1 1749348889 ZXGKNJNWRBRGCA-OAQYLSRUSA-N 425.621 4.607 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)Cc1cccs1 1749363433 CUPAUECQXNKUBE-IBGZPJMESA-N 439.585 4.693 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1749374107 YPNGHBMGHKWJOE-QHCPKHFHSA-N 438.616 4.897 30 10 IJEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc3c(cc2C1)CCCC3 1749407832 ABVSOXSYYNYDOG-UHFFFAOYSA-N 435.616 4.604 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1749511895 ONWVRORUMXNLIJ-SFHVURJKSA-N 444.023 4.882 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCC(C)CC1)C1CC1 1749512200 UZDUNTKNEWOOIX-UHFFFAOYSA-N 429.012 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CC1CCN(C(=O)OC)CC1 1749549228 SIQODONUFUYNON-KRWDZBQOSA-N 431.606 4.524 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1OCC 1749561460 OAJGRHWJHNMYJX-UHFFFAOYSA-N 442.361 4.661 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC1(F)F 1749583895 CFZCLTAMQJBUQK-FQEVSTJZSA-N 438.526 4.796 30 10 IJEE CC(C)C[C@@H](Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C)N(C)C 1750700448 DNGYLGATXXZBRV-QHCPKHFHSA-N 434.632 4.717 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccccc21 1760138464 ZAJUORTXIPNVPL-NRFANRHFSA-N 449.599 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCC1CCCC1 1760197638 CWDWTBZHSPHAJB-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1760207126 YFAHLFVLJMGVHE-RSXGOPAZSA-N 430.596 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1C/C=C/CC 1760213912 VTNDYMSRNFSDPE-VQHVLOKHSA-N 431.765 4.790 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC1CC1)C1CCCCC1 1760276587 IUZHXDKNVUSYPG-UHFFFAOYSA-N 430.021 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(CCOCC)CC1 1760288766 JQPCOLKALMSIKE-YADARESESA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@H](C)C1 1760299027 DZPUSCJXCDVHNC-MVOHMCPASA-N 441.620 4.778 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCOCC(F)F)CC1 1760383260 LLEPXOOSKBQSHA-UHFFFAOYSA-N 441.320 4.536 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1760385441 QXFVGFVPPBGSPT-AEFFLSMTSA-N 431.378 4.537 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1760390432 GGTLZIHXLRKCBC-QHCPKHFHSA-N 437.632 4.544 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCOC2)C1 1760406617 IJUXKAZYLWQCFV-HOYKHHGWSA-N 428.552 4.776 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1760406877 ONUNAZRIKTZIES-DLBZAZTESA-N 446.979 4.673 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCOC1 1760419153 JDDQVRGOFNJNKO-OAQYLSRUSA-N 439.387 4.586 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1CCCCO1 1760458149 VHDYEPAIVPRNST-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC=C 1760486452 OINLPDAYRYXELQ-UHFFFAOYSA-N 439.585 4.862 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](SC)C(C)(C)C 1760494467 OPPRMWIRMJLDMT-SFHVURJKSA-N 438.601 4.550 30 10 IJEE CCSc1cc(Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)ccn1 1768347212 FEAFVZVWJYZYRE-UHFFFAOYSA-N 432.597 4.999 30 10 IJEE Cc1ccc(C(=O)C[C@@H]2SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1 1772760180 XDLQOVBCJNRQRV-QFIPXVFZSA-N 432.501 4.815 30 10 IJEE C=CCNc1nc(-c2ccnc(N3CCN(Cc4ccccc4)CC3)c2)cc2cnccc12 1857831686 DDDNKJOURFHRQN-UHFFFAOYSA-N 436.563 4.612 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(O)c2)cc1 1862389398 FFZMJYDTZHRFOX-DEOSSOPVSA-N 442.515 4.908 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 1862389633 JWPOXFAQCAVQEM-XMMPIXPASA-N 434.580 4.868 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862430131 CQCWNTFMIMRGAY-QFIPXVFZSA-N 449.890 4.703 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446348 QDDHMRPMNQZDMQ-IBGZPJMESA-N 434.319 4.734 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1C(=O)O)c1cccc(Cl)c1 1862447377 OUJFMMAPKKXUSF-HXUWFJFHSA-N 439.895 4.949 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(Br)c1 1862509943 SNCMQBYREDURMN-SFHVURJKSA-N 432.289 4.885 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862649018 OYMFUZYZCUIADA-RDPSFJRHSA-N 427.500 4.906 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C(=O)O)c1 1862702415 ZHCBMQHUCNQKCB-ZAOYMGCJSA-N 449.503 4.550 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)c1 1862747373 QACCDTAQWVOAHI-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE C=CCN1C(=O)C(Nc2cccc3ccccc23)=C(c2ccc(Br)cc2)C1=O 1863197404 QCHMCBXQGIGIEP-UHFFFAOYSA-N 433.305 4.980 30 10 IJEE CCCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 1867046723 ATXWVXUNPGTGPF-QFIPXVFZSA-N 446.576 4.928 30 10 IJEE N#Cc1nnn(Cc2c(F)cccc2Cl)c1NC(=O)c1ccccc1-c1ccccc1 1870108528 LNHHFMDKYJCPEY-UHFFFAOYSA-N 431.858 4.910 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870245878 IWUHQCIQPUKLAT-UHFFFAOYSA-N 441.597 4.712 30 10 IJEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN2CCC[C@H](C)C2)cc1=O 1870416523 BBACGWMKZHRSDR-QFIPXVFZSA-N 428.621 4.716 30 10 IJEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc2c(c1)OCO2 1870791176 HZQKWBMCCGVSPF-UHFFFAOYSA-N 444.572 4.701 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871251572 LQUZZJKJNKQOQJ-UHFFFAOYSA-N 445.563 4.855 30 10 IJEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871378957 JHDDWKUJMVCBRC-KSEXSDGBSA-N 437.455 4.785 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)s1 1871444288 WNWHOZQONXVJRD-MXDDHBLUSA-N 449.532 4.740 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871792203 VNUDBAPELMUMIN-CQSZACIVSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 1871857598 MFRUZIAXGACMQG-NRFANRHFSA-N 436.524 4.585 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872270475 UCZXBPPRYDSBQQ-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)C(C)C)S(=O)(=O)CCC 1872285934 GZBWEZIKKVVJPZ-HSZRJFAPSA-N 449.661 4.504 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872531893 ZKBCEXDCHGSYTL-QFIPXVFZSA-N 428.598 4.823 30 10 IJEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 1872776609 SXKOLKLYIJHDLS-IBGZPJMESA-N 439.562 4.795 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2cccc(OC)c2)C1=O 1873048366 POOZGPWRAHUHFK-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2c(Cl)cccc2Cl)C1=O 1873289514 QIWYHEKXVOUYIZ-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCCCCCO)ncnc21 1873629424 BBIGQUSVVPUPHN-UHFFFAOYSA-N 435.572 4.742 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874279692 PICSYMYLJAPZTK-LPYMAVHISA-N 445.932 4.715 30 10 IJEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874303272 QKALGSDHEYWVHO-PCLIKHOPSA-N 431.565 4.920 30 10 IJEE O=C(CSc1nnc(COc2ccccc2)n1/N=C/c1cccs1)Nc1ccccc1 1874382961 RMZFMLNNDGCOLI-OEAKJJBVSA-N 449.561 4.532 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1ccco1)Nc1ccc(F)cc1 1874406018 BDLZXPVWEVVPGU-ZVHZXABRSA-N 441.532 4.746 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2sccc2C)o1 1874427910 HWLMRBBWCFXGSA-WSDLNYQXSA-N 438.534 4.869 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2[C@H]2CCCO2)cc1 1874443774 KSYHLWZMJFBQAG-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CCCC2)c1 1874457392 NQHITOUMKYZEHQ-ZVHZXABRSA-N 444.601 4.898 30 10 IJEE Fc1ccccc1COc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2)cc1 1874560609 GRPHBHFAXNWHSY-WGOQTCKBSA-N 432.524 4.952 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])Nc1ccccc1 1874611239 DGMDPVOFRTWCEF-UXBLZVDNSA-N 438.386 4.787 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2OC)cc1OCC 1874611696 PZVPEKCBFYWOFP-ZHACJKMWSA-N 432.900 4.975 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cccs3)c2)c1 1874704302 HJLPLMPRTVJCNI-RMKNXTFCSA-N 438.501 4.818 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875168616 MOFYNMCHUQKLMM-GLCJEOIMSA-N 438.520 4.918 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959029869 IALKECHLBLKJOD-HYBUGGRVSA-N 439.487 4.918 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1C#N 1985179788 QYFQSWMOIRAKPL-WBYKHBECSA-N 445.563 4.748 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(Br)cc1Br 1992854174 CVYDALCPJUUJCR-HUUCEWRRSA-N 448.199 4.551 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCN2C(=O)OC(C)(C)C)c1 1999884385 UAOUQOSXEFINBR-MBSDFSHPSA-N 431.533 4.728 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@@]2(C)C1 2005136207 SSWZDNCSYMWFDY-GKCIPKSASA-N 447.498 4.715 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Cl)ccc(Br)c1F 2058352971 TURFIGJCSVCQAD-CZUORRHYSA-N 433.749 4.809 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1C 2078980637 HQNKTQGIEVUBJL-CBVHTYNASA-N 449.336 4.964 30 10 IJEE N#Cc1cnc2c(-c3cc(Br)cc(C(F)(F)F)n3)c(C3CC3)nn2c1Cl 2081536686 PUZKCANXBUCAFB-UHFFFAOYSA-N 442.626 4.975 30 10 IJEE C=C([C@@H](NCC)c1ccc(Br)cc1I)C(F)(F)F 2086150004 VNXYLGFVJNLCGE-LLVKDONJSA-N 434.037 4.823 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(C#N)c(Br)c1F 2106010842 QCBZNYCOWGXMSC-TZMCWYRMSA-N 426.330 4.907 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1ccc(C#N)c(Br)c1F 2118150716 HMVXBGKMTBKDJR-SWLSCSKDSA-N 426.330 4.542 30 10 IJEE C[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cc(Br)cs1 2124453692 KOKPHSMFPZKJAY-OCCSQVGLSA-N 444.395 4.665 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132675091 FEEBAIURKCUHTL-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE CSCC1(NC(=O)OC(C)(C)C)CC(Nc2ccc(C#N)cc2Br)C1 2222996369 BPIXKZUONNDOKA-UHFFFAOYSA-N 426.380 4.522 30 10 IJEE CCc1ccc(C#C[C@H](O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231158816 SZLLRRCBEORYMO-LBNVMWSVSA-N 449.591 4.805 30 10 IJEE CC(C)[C@H](CCCC(=O)Nc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C 2235330455 LDXWMSVUZHJKSU-INIZCTEOSA-N 438.366 4.979 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C 2235731480 QCPORMDXDCVZRZ-NSISKUIASA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@H](O)C#Cc2ccccc2Br)C1 2235744131 OHYBBKYKTSJPOY-KPLVRAHFSA-N 434.374 4.589 30 10 IJEE C=C(COCc1ccccc1)[C@H](CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)NCCC 2250542080 DVXKJSRIQOFMAK-GOTSBHOMSA-N 432.605 4.544 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@H](CCC)CNC(=O)OC(C)(C)C 2252013984 YRHUYUKSEVMPIC-IFMALSPDSA-N 435.561 4.560 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3cc(Br)c(F)cc3Cl)C2)OC1(C)C 2285909205 GRHQPIFOMVCNED-LLVKDONJSA-N 446.553 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(N)C#Cc1cccc(Br)c1 2296218954 JQSPZHWFCMTXCR-HMFYCAOWSA-N 433.390 4.554 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2296281934 QHQMZFLVYVCVAY-NQIIRXRSSA-N 439.369 4.518 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2296285053 XXIITVDWWOAWCW-RBUKOAKNSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296297245 WTEBZGCBMJUHDN-ILZDJORESA-N 435.406 4.672 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c(OC)c1OC 2296867339 JHJJTPLIWGHOOD-UHFFFAOYSA-N 438.476 4.814 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2305402926 KAIDLQCINXETNM-UKDJSQQHSA-N 428.573 4.601 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2306365323 PMIBKJBWURGXHW-BPYKYCOYSA-N 428.573 4.555 30 10 IJEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(CCc2cnc[nH]2)CO1 2322199230 ZWHQIXWOEUMZCQ-UHFFFAOYSA-N 442.302 4.727 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322256706 RANAPZOAELTYJW-UHFFFAOYSA-N 430.285 4.659 30 10 IJEE O=C(COc1ccccc1C=CC(=O)c1ccc(Br)cc1)Nc1nccs1 2322416552 XNGOQZUQUYOLHY-UHFFFAOYSA-N 443.322 4.819 30 10 IJEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(F)c(F)c3)cccc2OC)o1 2322785060 HRHRQQHEGNHALH-UHFFFAOYSA-N 428.387 4.828 30 10 IJEE CCCCCCOc1c(OC)cc(C=Nn2c(S)nnc2-c2ccco2)cc1[N+](=O)[O-] 2323538761 KQNMDKCRPATPAO-UHFFFAOYSA-N 445.501 4.585 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O[C@@H](C)C(=O)OC(C)C)c3C)C1=O)cn2C 2324305311 YRLSBSSOLVXRMN-INIZCTEOSA-N 449.503 4.830 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1c(F)cccc1Cl 2331018011 HFULWGHCFSWHGR-UHFFFAOYSA-N 437.972 4.571 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cccnc1 2331079262 FIYGTKJHIBGKBR-UHFFFAOYSA-N 429.472 4.943 30 10 IJEE CCCCc1nnc(SCC(=O)N(CC)CC)n1N=Cc1ccc(Cl)c(Cl)c1 2331318178 DNDWORXAYMRECR-UHFFFAOYSA-N 442.416 4.770 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(F)cc1 2331324422 XPSRALOYMHCQMK-UHFFFAOYSA-N 429.496 4.512 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cc(C)ccc2O)c1 2331385080 CBYVMCYHHVRJCS-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE CC[C@@H](NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512900 OJERMUQQSIJOAT-WIYYLYMNSA-N 446.441 4.672 30 10 IJEE CC[C@@H](NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514043 TZPCCOGBZPVFKR-LOSJGSFVSA-N 434.433 4.691 30 10 IJEE C#CCN(C[C@H](NCCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2362280137 CDEDYAPKENQVHX-IBGZPJMESA-N 439.394 4.507 30 10 IJEE CC1(C)OB(c2ccc(N[C@@H]3CCCCCN(Cc4ccccc4)C3)c(C#N)c2)OC1(C)C 2364935065 IOCJNNXQWKBIBF-XMMPIXPASA-N 445.416 4.714 30 10 IJEE CC#CCCCC[C@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366642720 RIEZCMKZILZDAP-GXTWGEPZSA-N 425.763 4.601 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1cccc(C(C)=O)c1 17242294 CKNKJUCLEBEBPH-MAVBTGMRSA-N 443.956 4.831 30 10 IJEE Cc1ccc2c(C)nc(/N=C3/NC4=C(C(=O)CC(C)(C)C4)[C@H](c4ccccc4)N3)nc2c1 22469415 QENIXGOSKIMQHT-QHCPKHFHSA-N 425.536 4.811 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(F)cc2)Nc2ccccc2OCC)c(C)n1 32972779 NUMSRZLMBPNNEH-UHFFFAOYSA-N 437.519 4.537 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 34954360 MZKXYPAVUJAKOM-ZROIWOOFSA-N 433.416 4.727 30 10 IJEE Cc1cc2oc(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccccc4)c3O)c(C)c2cc1C 38619825 LGEMLISZQBREMM-UHFFFAOYSA-N 426.472 4.685 30 10 IJEE C=CCN(CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)Cc1cccc([N+](=O)[O-])c1 63297564 BPBPSDIEJIGPQR-HSZRJFAPSA-N 439.512 4.689 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 66227316 NNLCPWIYWYIJAF-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Oc2nc3ccccc3n2Cc2ccccc2C#N)CC1 95083580 VUUZKMQDEOXSKU-UHFFFAOYSA-N 432.524 4.735 30 10 IJEE CC(C)n1c(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O 97658386 AINXMXFQDDPHRG-HMAPJEAMSA-N 433.577 4.950 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1Cn1cc([N+](=O)[O-])cn1 101596234 DSNUABPYCZFHNK-WAPJZHGLSA-N 442.269 4.507 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C(=O)N(C)C)cc1 103975570 NIOQTDHURKRQRR-UHFFFAOYSA-N 442.972 4.691 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OCC)c2)c1 170038684 LQUJVAFCUXRMFE-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccc(O)c1 170080500 FALXQSBAPPKLCC-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(C)o2)cc1C 170100066 CLAKQGXZFSPKKL-QHCPKHFHSA-N 446.503 4.754 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)cc1C 170144823 XKJBETNHMBAHMO-XMMPIXPASA-N 442.515 4.794 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccn2)cc1C 170167798 AUXWOEFNRZIUBH-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)c1 170189326 JOJGJZCOTUKYCU-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccnc1)c1cc2ccccc2o1 170191498 AGCHCYOQEGVELA-NRFANRHFSA-N 432.382 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccncc1)c1cccc(Cl)c1 170207042 JQXTZTDFYQMTNY-IBGZPJMESA-N 426.806 4.796 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2F)cc1 170249501 LUVVNCQFUCIPDU-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 170256443 AWODQTXBMHIXPL-NRFANRHFSA-N 431.448 4.597 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCN(C)C 170276153 IVXNIEIVVWUORB-XMMPIXPASA-N 428.532 4.678 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)ccc1Cl 170289667 WTRPMODMZKNEKY-NRFANRHFSA-N 448.862 4.986 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2sccc2C)cc1C 170316738 HRLIMCVYLINGGM-OAQYLSRUSA-N 448.544 4.855 30 10 IJEE COc1cc(C(=O)Nc2cc(C#N)ccn2)ccc1OCc1ccc(Br)s1 436010589 YJUNVZGUYRGTDN-UHFFFAOYSA-N 444.310 4.617 30 10 IJEE N#CC1CCC(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 441135359 MPCYOCZENLXIIF-UHFFFAOYSA-N 426.904 4.920 30 10 IJEE C=CCn1c(SCc2ccc(Br)cn2)nc2sc3c(c2c1=O)CCCC3 481915950 AKFIXQHLJUZUFP-UHFFFAOYSA-N 448.411 4.973 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)c(Cl)c1O 526816520 FNROIEYTGIIOOD-HOEBFWFUSA-N 427.288 4.613 30 10 IJEE C=CCN(C(=O)c1sc(-c2ccc(F)c(F)c2)nc1C)c1nc(C(=O)OCC)cs1 554198746 WRYCGNBZYULZET-UHFFFAOYSA-N 449.504 4.863 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 579619276 FPQBGJWJBFUEML-VXNXHJTFSA-N 448.542 4.816 30 10 IJEE C#CCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(Br)cc1 586206165 IKJNVJJYMOMHAC-UHFFFAOYSA-N 447.398 4.514 30 10 IJEE C=CCCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586218910 WPOSWBLBVQJLNB-UHFFFAOYSA-N 433.570 4.881 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C)c(C)c2)cc1OC 586227213 CIRBYDBBDFKMOW-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)n1 598954868 DGTVUUSYSVDCEW-KRWDZBQOSA-N 445.544 4.840 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 670201548 FZULXGNVENYMRL-SANMLTNESA-N 448.542 4.856 30 10 IJEE Cn1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1Cl 712470789 XXSBSICYQPRILD-CQSZACIVSA-N 425.714 4.842 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1sncc1Br)NCCC 719922170 XNWMSDQMLCJWMS-HUUCEWRRSA-N 432.428 4.676 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC[C@]3(CC=CCC3)C2)c1=S 733993271 ZEDYOFWWRUFKSB-ZJSXRUAMSA-N 438.597 4.892 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Oc1cccc(-c2nc3cc(F)ccc3n2C)c1 735888339 WHSXWOFRFZUTJD-UHFFFAOYSA-N 444.466 4.507 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 735968849 BWDFNEJDJGTBBR-KRWDZBQOSA-N 435.883 4.678 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 745234296 AZUZTRSKOLBJAX-PWIZWCRZSA-N 426.463 4.564 30 10 IJEE COc1ccc(CNC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1C#N 746876569 IEBABHJTPUGMNP-UHFFFAOYSA-N 431.439 4.568 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)Cc1c[nH]c2cccc(Br)c12 754328946 KTWFGHBRLCXLOO-UHFFFAOYSA-N 433.689 4.772 30 10 IJEE N#Cc1cccc(OCCCCC(=O)OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 764148599 FQGCIGKMIWUJNJ-UHFFFAOYSA-N 440.927 4.609 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c(Cl)c([N+](=O)[O-])c1 764315351 NXMUSBNTZCXGER-NEPJUHHUSA-N 425.750 4.761 30 10 IJEE N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)cc1O 785627764 HMBAVEKTJLWZRI-QFIPXVFZSA-N 440.421 4.659 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)OC/C=C\c2ccccc2)n[nH]1 1084343115 NGQZLCRJBCHFEE-AZJGLWSRSA-N 433.537 4.655 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1125372583 JDIYQGFCSPYZPD-QFIPXVFZSA-N 440.515 4.711 30 10 IJEE CC(C)(C)OC(=O)N(CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CC1 1126309309 BSMYTTXRJOCCDY-UHFFFAOYSA-N 425.554 4.693 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccncc2OCCC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1129464194 DIYGXQNTQPAFKZ-VWLOTQADSA-N 445.604 4.859 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](Cc3ccccc3)c3cccs3)n[nH]2)c1C 1136752186 HXEDTEXLOJKGCH-LJQANCHMSA-N 431.565 4.851 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 1137750926 PLJRCRZLTTZPAZ-ZBFHGGJFSA-N 436.421 4.934 30 10 IJEE C=CC[C@H](C(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)c1ccccc1 1155923535 NQLKOSRGEISUSQ-LAUBAEHRSA-N 426.479 4.795 30 10 IJEE COc1cc(Br)c(CNc2cc(Br)c(C#N)cc2F)cc1OC 1162412979 HAQBIFOENJTZBG-UHFFFAOYSA-N 444.098 4.852 30 10 IJEE C=CC[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(Cl)c1)C(=O)OC 1164588213 SOEFOSWEGJNNBS-KRWDZBQOSA-N 435.332 4.902 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(Cc2cc(F)ccc2F)CC1 1171098128 HRQQBLZTGREDEA-QGZVFWFLSA-N 429.486 4.694 30 10 IJEE C#CC1(NC(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CCCC1 1175861432 FPYNCCWTQCYYKP-UHFFFAOYSA-N 438.593 4.705 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(OC)c(C)c1C 1209065349 QMSPZFOTPYWZQF-UHFFFAOYSA-N 442.350 4.591 30 10 IJEE CCN(CC)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)Cc1ccccc1 1214620726 HMPHNYJLXHPMMI-HSZRJFAPSA-N 443.551 4.820 30 10 IJEE Cc1cc(CC(C)(C)NC(=O)Nc2nc(Cl)c(C#N)s2)ccc1Br 1219069156 BAMJCVIJGLKTNT-UHFFFAOYSA-N 427.755 4.882 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)cc(OC)c1OC 1221553365 DXUPTCOLAAERKW-AWEZNQCLSA-N 430.932 4.581 30 10 IJEE C#C[C@@H](NC(=O)NCCCc1ccc(Br)cc1F)c1ccc(Cl)cc1F 1227376830 ZFXZOZJJKMIQRS-GOSISDBHSA-N 441.703 4.987 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1286273993 KDRBQEWJJGNJEF-UQASEVPWSA-N 431.378 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CSCCS1 1286278459 DBUCZNUZTUTFHZ-DOTOQJQBSA-N 432.684 4.582 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1Cc1cccs1 1286340382 ZKOPVBGAYAGLCF-LJQANCHMSA-N 436.581 4.649 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCC(F)(F)C1 1286404377 RVUYUOGXAVGPFM-KRWDZBQOSA-N 446.929 4.896 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)CC[C@H]1C 1286510160 KKAVGUKRRBVTNY-ZWKOTPCHSA-N 430.643 4.570 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1286586188 XLZRDCDEXHCACL-WZONZLPQSA-N 428.602 4.726 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 1286586233 XSDKNZRJHBYFIK-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286593493 NEWKJFYEGLMZMA-IBGZPJMESA-N 445.995 4.544 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=C(C)CC1 1286613233 VDYXTGMXMOQEME-UHFFFAOYSA-N 437.371 4.913 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286620998 XSDPUIMVZNIUDK-RBUKOAKNSA-N 440.979 4.515 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Cc2cccs2)CC1 1286654143 BAVZEHAUPWIZMN-NTKDMRAZSA-N 444.645 4.661 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)[C@H](C)CC)CC1 1286664553 YYDUWWQURDGJFG-GOSISDBHSA-N 432.012 4.643 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cccc(F)c2[C@@H]1C 1286667736 MIAIJLFANINSFF-ZWKOTPCHSA-N 430.568 4.867 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1286703720 QXQAWBXFWFSKOC-NOZRDPDXSA-N 448.615 4.710 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CC[S@@](=O)C(C)(C)C 1286748508 XOHWLUJBDGGHPY-GDLZYMKVSA-N 428.627 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@](C)(OC)C1CC1 1286753908 MDXZWFDJQHEADT-OAQYLSRUSA-N 431.378 4.701 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286771612 AIMYXHZRYKERGS-SJORKVTESA-N 437.357 4.673 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)c2ncc(C)s2)C1 1286801794 IDJALEFCNBPXMJ-DNVCBOLYSA-N 444.004 4.948 30 10 IJEE C=CC[C@]1(C(=O)NCC(F)(F)c2ccc(F)cc2F)CCCN1C(=O)OC(C)(C)C 1288583494 BPOVRZVGGYMKFS-HXUWFJFHSA-N 430.442 4.519 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 1295027191 CXVGHJIPXDOKIV-QAPCUYQASA-N 446.523 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC(C)CC1 1300273741 HAGKRMLZBUDPDP-UFYCRDLUSA-N 444.023 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1300275580 WQAOENFDYHWDHS-URXFXBBRSA-N 442.611 4.712 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCOC(C)(C)C1 1300341026 BZOIBGPSRLXUDO-UHFFFAOYSA-N 435.597 4.796 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](SCC)C1 1300348423 LLHBMVGFXAXQBR-FQEVSTJZSA-N 427.574 4.769 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(c2ccccc2)CC1 1300348531 NPETZKXFQCIAQC-UHFFFAOYSA-N 434.975 4.514 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1300354046 VQWOQZLLRZLKQG-UHFFFAOYSA-N 433.453 4.881 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@H](OCC)C(C)C 1300559495 QSTHIMVVCRSRJS-VWLOTQADSA-N 443.595 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1300565501 QIIFEBKVUOALFB-RPWUZVMVSA-N 432.612 4.812 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC1(SC)CCC1 1300650109 YMEQQKOOJIQOPI-HXUWFJFHSA-N 428.577 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@H](C)C1CCC1 1300873910 ISVQRDREYMNCMR-BSIFCXSSSA-N 429.996 4.990 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1300980467 PNYNOWJJEKKYKV-NRFANRHFSA-N 433.581 4.682 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN(CC)C2CC2)CC1 1301072626 PETIWMJEOGOTPH-UHFFFAOYSA-N 444.421 4.657 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301190679 WXTIOJZOHBUHHW-HXUWFJFHSA-N 436.629 4.565 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCO1)C1CC1 1301317108 OQAHQNMNBZYPOJ-SFHVURJKSA-N 431.378 4.740 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H]1C 1301403152 VWBOZWAOTNMSCY-GBXCKJPGSA-N 432.616 4.811 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CCCC1(C)C 1310017871 SFMUNYZYJGKSBN-GHTZIAJQSA-N 433.618 4.706 30 10 IJEE C#C[C@@H](CCC)NC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1311450609 DDLUUIWCTXGMKZ-PZJWPPBQSA-N 427.639 4.671 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1312049550 FEXGRMCELHPCOL-XJKSGUPXSA-N 438.391 4.568 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(OC3CCC3)cc2)c(C(=O)OCC)c1C 1352311831 LVBMISPXVBIKCY-UHFFFAOYSA-N 443.521 4.760 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccccc3C)cs2)CCCN1C(=O)OC(C)(C)C 1355787550 CJRSCHVTECHRIR-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE C#CCCCCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)nnc1C(C)(C)C 1358917081 GNYXJWNFLROJKL-RBUKOAKNSA-N 431.625 4.509 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(CCOC)CCCC1 1358986474 XPJTUTCGTXVAPY-UHFFFAOYSA-N 444.623 4.808 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(C)(C)CC1 1359052608 KLOOJGMGQUJWDS-UHFFFAOYSA-N 442.629 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCc1nc(C)c(C)s1 1359074050 OQXKOWPHDLWHAU-RUZDIDTESA-N 449.624 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC(C)C)CC1 1359092414 AQIQFWGXNYXZFE-UGKGYDQZSA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1359110454 NCVAQRBNDPZDFR-DEOSSOPVSA-N 446.599 4.588 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N(C)CCCC)CC1)c1ccccc1 1359138034 HYAPLYHUPJLRLS-FQEVSTJZSA-N 437.632 4.980 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(N(C)C)nc2)CC1 1359175818 BBAMCYVBYUCXMQ-UHFFFAOYSA-N 440.954 4.649 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CC1CCN(CC(F)(F)F)CC1)C1CC1 1359248539 SJRAXWZRABUTRI-UHFFFAOYSA-N 447.549 4.937 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1436649787 WLNDNFJJLNFNQY-OALUTQOASA-N 435.738 4.742 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C)cc1O)c1ccc2c(c1)OCCO2 1443635841 PUTPGILAGRGMRW-UHFFFAOYSA-N 431.488 4.884 30 10 IJEE C#C[C@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 1448961960 KCQJTXQGEHBAQR-CYBMUJFWSA-N 445.755 4.589 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c(Cl)c1 1456615308 ZGVRYRIUTGWOCI-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1458616875 APYAYARHBBZZNX-YADARESESA-N 427.573 4.960 30 10 IJEE COC(=O)[C@@H](c1cccc(C#N)c1)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1460171792 CUGUPNZDIXYVQH-VQTJNVASSA-N 432.442 4.643 30 10 IJEE C#CCCOc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2CC)cc1 1460650275 CLUGPOZCRUOHCG-HSZRJFAPSA-N 436.552 4.647 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)N1CCCC1 1464253560 IBBKMIPASWNUFB-LJQANCHMSA-N 430.549 4.502 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(OCC)c(OCC)c2)cc1 1465094661 PLJDLEYPICPSRZ-UHFFFAOYSA-N 443.499 4.979 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 1465779434 HZEHETDUMTYIRG-UHFFFAOYSA-N 439.487 4.775 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)cc1C#N 1466266050 SOOBPNJDNXPYKA-UHFFFAOYSA-N 444.369 4.652 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 1468478538 MUVBTEUJTHLPNK-QFIPXVFZSA-N 440.584 4.780 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 1471245294 CVLZHTBLMCUWRY-QGZVFWFLSA-N 440.369 4.858 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 1475469281 ANIKHZLFFQCFJH-ZWKOTPCHSA-N 436.533 4.746 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 1476222121 KEEOGOKNZHLZNW-UHFFFAOYSA-N 434.467 4.766 30 10 IJEE Cc1nccn1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC#N)CC1CC1 1492710217 HYRKJLIYLUENQX-UHFFFAOYSA-N 444.370 4.587 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C(C)C)N1CCCC1 1507521693 PMLRNXXCHMJXCU-SVFBPWRDSA-N 439.673 4.710 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1 1507676040 IEUOVJDAOHAVBE-FQEVSTJZSA-N 445.057 4.972 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](c2ccco2)C1 1507838621 UZXIHLHSEBBHJK-QGZVFWFLSA-N 442.947 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1507897768 LQNHLQYCJGGUKL-UHFFFAOYSA-N 443.473 4.818 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(C)C)CC1)c1ccccc1 1507928962 NGMQOGPLBMXBAK-QHCPKHFHSA-N 435.616 4.633 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)OC(C)(C)C1 1507936574 CZFQRDSKUUIPSY-SFHVURJKSA-N 430.618 4.939 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OCC(F)(F)F 1507973409 CNCZBWZCSFBCHQ-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCC(C)C)C1 1508125694 DUNIDGFUDUDIBH-UXHICEINSA-N 447.624 4.568 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1512935672 ITSYLEYNWLZHLF-XKQJLSEDSA-N 448.493 4.620 30 10 IJEE C=CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1516157656 YGSGELHXGXKKBG-MHZLTWQESA-N 437.539 4.889 30 10 IJEE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C2CC2)c1 1521013033 HGNHRAQXSAHVHB-HNNXBMFYSA-N 449.956 4.685 30 10 IJEE C=CCC1(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CCCC1 1521315917 HEYXAZMXWZJNGC-UHFFFAOYSA-N 426.582 4.686 30 10 IJEE C=CCOc1ccc(COC(=O)c2cc(Br)nn2-c2ncccc2Cl)cc1 1521578190 OJILOKTXNBJASF-UHFFFAOYSA-N 448.704 4.605 30 10 IJEE C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)CCC(=O)N1CCc3sccc3C1)c2C#N 1527032078 HEQRIFZKFIWATD-KGLIPLIRSA-N 427.595 4.671 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@](C)(CC)c2ccc(F)cc2)nnc1-c1ccco1 1531621530 OCAIUAHCNQWGDF-JOCHJYFZSA-N 428.533 4.787 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCc2cc(C)cc(C)c21 1533792061 CCPTUNJWIQKBDP-UHFFFAOYSA-N 443.341 4.695 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(CCc2ccccc2)nn1)c1ccc(C(F)(F)F)cc1 1534432813 DMEGUTOICAIOLJ-FQEVSTJZSA-N 428.458 4.977 30 10 IJEE C=CCN(C(=O)/C=C/Sc1cc(F)ccc1F)[C@@H](Cc1ccccc1)C(=O)OCC 1538618096 CSTMHCGMMXHXKW-PKHIPVCBSA-N 431.504 4.760 30 10 IJEE C=C[C@@H](CC(=O)NCc1cc(Cl)ccc1I)c1ccccc1 1538895954 LEMDUWPLGNMPAF-ZDUSSCGKSA-N 425.697 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCOc1cccc(C(F)(F)F)n1 1538974834 ZOMVCBNIZAPPOG-AWEZNQCLSA-N 449.864 4.549 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCC[C@H]1CC 1539338178 PQFPYMKWESRTPI-NHCUHLMSSA-N 436.625 4.868 30 10 IJEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1539345849 ZAXOCUJAPZPOST-ZILOHOTNSA-N 442.991 4.550 30 10 IJEE C=C(Br)Cn1c(N2CCS[C@H](C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1539612007 GDMODDUYZJNLRW-IAGOWNOFSA-N 447.446 4.987 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1539712226 TZFZHBCLGABYQE-UYAOXDASSA-N 432.996 4.831 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1539985574 LGUXGQFVKAWKQN-LJQANCHMSA-N 435.572 4.646 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C)=C(Br)C1 1540005156 JWMXAKZMYQJOJY-LJQANCHMSA-N 445.361 4.636 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC=C 1540028242 BQWFISPHEYWHHJ-UHFFFAOYSA-N 425.758 4.576 30 10 IJEE C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)N(C)C1CCCCC1)C1CC1 1540094276 FCHMODDSHDXZIF-QHCPKHFHSA-N 435.616 4.766 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccnc1)C(C)C 1540136963 OHZHOLBXYKUPNA-PKTZIBPZSA-N 449.574 4.949 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)C(C)C 1540151987 NZWXLUPPMYTISX-ZLNRFVROSA-N 443.680 4.571 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1540920493 XFWJPSCSHZABQM-RTBURBONSA-N 430.593 4.932 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)c1 1542406156 ODZUCGCLSPRYRF-LJQANCHMSA-N 437.586 4.949 30 10 IJEE CCc1csc(-n2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)C)C4)cn2)n1 1544582671 FFJHVFBAIFQSHN-ZDUSSCGKSA-N 425.583 4.838 30 10 IJEE CO[C@H]1CCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1555141120 DZYPLOHJSHFWSQ-XLIONFOSSA-N 446.020 4.779 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@]3(Cc4ccccc4)C=CCCC3)ccc2c1=O 1557902643 TULIEJKCOVDYIE-AREMUKBSSA-N 445.588 4.570 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 1558192527 BRDKZCVCWPFKCO-JTHBVZDNSA-N 433.552 4.552 30 10 IJEE C=CCn1c(SCC2(O)CCOCC2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1559315872 LQVMQJKXDIKXSK-KRWDZBQOSA-N 447.670 4.977 30 10 IJEE CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccc(OC)cc1 1559707771 CWOZSLCCDPOTCF-DEOSSOPVSA-N 446.551 4.662 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc(Cl)cc1F 1561556548 VTPDTMNSGQIKPC-CQSZACIVSA-N 426.218 4.804 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C 1562929237 MGRPPCCDMCLCEH-MRXNPFEDSA-N 427.339 4.502 30 10 IJEE C=CCN(C(=O)c1ccc(Nc2ccccc2C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1583031189 MUXIBFGCTDAHLL-HXUWFJFHSA-N 426.582 4.543 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 1585594395 WSUMVORNTFKPJY-NRFANRHFSA-N 448.346 4.917 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1587598405 ATGAVYOPRBAYDB-SSPYTLHUSA-N 436.600 4.809 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cc(F)ccc12 1587678576 VFQNTVIGNAGORP-SAWYMBPVSA-N 437.563 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1589503168 BSHIRVDYTYJEDW-QRFRQXIXSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CCOC)Cc1ccccc1 1589544548 IMKFDULMYQQBQP-FYYLOGMGSA-N 426.605 4.501 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC(C)(C)C1 1589558497 LDJDXBXKNQOQFX-ZJSXRUAMSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1cccc(OC)c1 1589614753 FPJCJFMFZQCSSG-KRWDZBQOSA-N 441.963 4.872 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1cc(C)cc(C)c1 1589687566 IVPLVARSUJVHBO-UHFFFAOYSA-N 437.613 4.532 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](CC)O[C@H](C)C1 1594692658 BWDYELQNZJNIGA-CVEARBPZSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC 1595156187 HXJGDMZXTZXIHF-UHFFFAOYSA-N 437.617 4.506 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)Oc2ccc(Cl)cc2)C1 1595737570 CUVQXNJRHFNZBI-PGRDOPGGSA-N 445.007 4.913 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(CC)CCC2)C1 1595745682 VWOCOPJOVLDIOK-HXUWFJFHSA-N 430.980 4.872 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)cc1C#N 1596981949 FDJADLRTJUJNBY-UHFFFAOYSA-N 444.369 4.652 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1597008588 XNGVDSXHSYBFQL-UKILVPOCSA-N 426.988 4.802 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCSC2)cc1 1607165108 CEQXQBZKSBNBFV-MBSDFSHPSA-N 443.592 4.565 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)Cc3ccc(Cl)cc3Cl)n[nH]2)c1C 1610984880 XEVKOBYVOGDVKI-GFCCVEGCSA-N 432.355 4.744 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1616855351 ZFJFAMUERNFVPJ-YLJYHZDGSA-N 446.498 4.568 30 10 IJEE COc1ccc([C@H](Cc2ccccc2C)NCCC(=O)Nc2ccccc2C#N)cc1OC 1616856059 AIJXRHHUYNEBLE-DEOSSOPVSA-N 443.547 4.786 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C)C1CCCCC1 1617632089 CMJMFDMULVNKPZ-OAQYLSRUSA-N 434.613 4.950 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1621190690 GVWLOQIPDHRBBJ-QGZVFWFLSA-N 425.891 4.921 30 10 IJEE C#C[C@H](NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)c1ccc(Cl)cc1F 1623825959 VBKMORASYNQGGH-INIZCTEOSA-N 437.924 4.706 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccc1 1627430433 VOQHHIJXXLBQIE-WJOKGBTCSA-N 434.496 4.655 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)CC 1628389053 MCSBOOSVGPGGBZ-QFIPXVFZSA-N 426.944 4.905 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(c2ccccc2Br)CC1 1631792047 ABLROZFETGDUJJ-UHFFFAOYSA-N 427.342 4.550 30 10 IJEE C=CC[C@@H](NC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C)c1ccncc1 1633820640 SXMQKWOMWSUCJK-GOSISDBHSA-N 427.430 4.990 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1634641066 UKCSHXBHJDRCQP-UHFFFAOYSA-N 433.961 4.979 30 10 IJEE N#Cc1cc(NC(=O)c2cc(O)nc(C3CC3)n2)ccc1Oc1ccc(C(F)(F)F)cc1 1634676300 GEOQXPKLBJNLIB-UHFFFAOYSA-N 440.381 4.995 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1Cl 1635188041 RUZFXPHEPOQQOH-UHFFFAOYSA-N 440.931 4.794 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Br)c(F)cc1C 1635773846 RPQJMZMGZYHDTO-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C=CCn1cc(C(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)nn1 1637740873 UUSRSMVMDLLGAE-UHFFFAOYSA-N 434.244 4.501 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)C1CSC1 1640234080 YYXOCCUGODAOQP-UHFFFAOYSA-N 437.362 4.855 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 1642539977 GPBWPJQAIQFHME-LOSJGSFVSA-N 428.532 4.958 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F 1643051564 FXYPCYUGXVBOQG-WMZOPIPTSA-N 428.907 4.534 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 1646216175 LGKUXYYMWXWGBY-QGZVFWFLSA-N 436.936 4.851 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 1651591402 OIGGHLIGORKQSW-LJQANCHMSA-N 435.593 4.908 30 10 IJEE C#CCN(Cc1cc(F)c(OC)cc1OC)[C@@H]1CCOc2ccc(Br)cc21 1651991957 CTBRTIQSBHJABY-GOSISDBHSA-N 434.305 4.564 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2CCN2CCC(C)CC2)cc1 1658661663 YWBGNDQFRVALBR-DEOSSOPVSA-N 438.616 4.619 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)CC1 1659122431 LKOUFJJSGHWHJC-QHCPKHFHSA-N 433.552 4.599 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc2sc(C(=O)OCC)cc2c1 1669011574 JGDBPJUTGDWQSX-UHFFFAOYSA-N 429.563 4.845 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 1670147466 GGMNPNNXXSIVAA-QZTJIDSGSA-N 442.560 4.621 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCOC[C@@H]1c1ccc(F)cc1 1678356093 LKGSENFDBJPBMB-GOSISDBHSA-N 435.293 4.758 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)CCNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1680632573 DLNISBWSRXNKJJ-QGZVFWFLSA-N 429.483 4.879 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCCc3ccc(NC(=O)OC(C)(C)C)cc3)cc2n1 1680698693 WJCXEDWSEIUMAV-UHFFFAOYSA-N 435.528 4.934 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1680743193 JETQNNVHHWCVHM-QFIPXVFZSA-N 443.563 4.630 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C 1681199850 GYJOITWGFWQLTD-NRFANRHFSA-N 431.577 4.886 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCSC2)C1 1690333181 ZGGYGMPKPHRLLP-IBGZPJMESA-N 426.920 4.632 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)NCCCC)CC1 1690334082 DAJXTYFFIRAURB-UHFFFAOYSA-N 441.963 4.577 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@H]1CCCCC1(F)F 1690607107 CUOPIAPFJJLMED-LJQANCHMSA-N 427.499 4.994 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)NCCCCC)CC1 1690633153 MCBBGOBKQZZAEM-UHFFFAOYSA-N 437.632 4.951 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)CCOC(C)(C)C 1690682265 JRZAVWVSMDYCPV-UHFFFAOYSA-N 435.572 4.513 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccnc1 1691579249 BOHDMOFPIGENIZ-OZXSUGGESA-N 439.567 4.782 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C1 1692845039 BSDYNTWNUFYSBK-UGKGYDQZSA-N 446.020 4.926 30 10 IJEE Cc1cccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)n1 1693204496 BLUSWPLOTIPTHM-CTNGQTDRSA-N 444.583 4.690 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2CC(OC(C)(C)C)C2)cc1 1694549018 FXOFMFFKPVIKKP-BPOAOHNVSA-N 439.579 4.933 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1Cc1cccs1 1705519394 JITWWBFFSRSKEW-LJQANCHMSA-N 425.627 4.710 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705521019 NZTJHNOKGKUDAF-FYYLOGMGSA-N 449.643 4.631 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(Cl)s1 1705544052 DLOCNNNUGQEZDJ-UHFFFAOYSA-N 439.741 4.679 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccnc(SCC)c1 1705545006 LTIMNPDYVQJYLY-UHFFFAOYSA-N 437.638 4.900 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(c2ccccn2)CCC1 1705547415 GHPWIKIPZQQXQP-UHFFFAOYSA-N 443.595 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)CCC 1705696641 PQAQKMIRCRHRSZ-JUXOCIIHSA-N 426.561 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1 1705697686 WRXJPWNJTBKKGW-RXVVDRJESA-N 441.938 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1C(C)C 1705705751 KZAZNYKIAQIJLE-PWWKTKHKSA-N 438.616 4.678 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1705783651 OOVKXRFECILQAY-QFIPXVFZSA-N 437.975 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705788287 VXCMNAQHUFBYDF-UHFFFAOYSA-N 449.624 4.880 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705814953 GFMRFHPYOHFVOC-SJORKVTESA-N 431.378 4.537 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CC(=O)N(C)C1CCCCC1 1705861936 UHLDMOLJURJVBF-UHFFFAOYSA-N 435.616 4.919 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC[C@H]1CCO[C@H](C)C1 1705862069 XWNAKMAVGJXDFD-YADHBBJMSA-N 431.584 4.662 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccnc(Oc2ccccc2F)c1 1705872400 VYRPXKQMQCLXQU-UHFFFAOYSA-N 442.498 4.893 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1Cc1ccc(C)nc1 1705879822 MMRFNYYJQHGOJS-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(C)C 1705880508 HLURGIOEYDJHSV-REWPJTCUSA-N 435.572 4.538 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C(C)C)N2CCCC2)C1 1705918051 BIRWHLRLMPSSMJ-SIKLNZKXSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)SC)C1 1705928584 RUSWRRFIGOBHMX-DOTOQJQBSA-N 439.050 4.757 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCOC[C@H]1C 1705940733 NRUXJUYSFZVRLF-MRXNPFEDSA-N 441.626 4.521 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1705945594 NVUYXOBYTNEOCF-MJGOQNOKSA-N 449.665 4.594 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCCCC1 1706461603 GRHHUKGYJIOBQP-NRFANRHFSA-N 430.641 4.550 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1cccc(C)n1 1711672459 CKEJKZAHYVAJIS-INIZCTEOSA-N 438.963 4.539 30 10 IJEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1712185983 CIYFMRHHVGBRMJ-GOSISDBHSA-N 429.515 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccnc(SCC)c1 1722501581 HSQIZHZTUUUJHY-UHFFFAOYSA-N 438.557 4.811 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722521009 YGZOPFSGKAYINN-QFIPXVFZSA-N 433.604 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(OC)c(F)c1 1722589702 VNIBRWSMNYNMAM-UHFFFAOYSA-N 440.567 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCCC2(CCOCC2)C1 1722592104 QYZDCYFYJCNZQZ-UHFFFAOYSA-N 429.634 4.633 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCOC(C)(C)C)c1ccccc1 1722596597 LFFVJSCDTQUZJT-YADHBBJMSA-N 426.605 4.783 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCCCC1)C1CC1 1722646699 LFOOZJDXVPLOCQ-SFHVURJKSA-N 428.552 4.797 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCCCC1 1722655982 OCFXUFFQWOCCAG-ZEQRLZLVSA-N 449.599 4.647 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC=C 1722661186 WFIVDDAWAUEROY-FQEVSTJZSA-N 441.551 4.868 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC1(C)C)C(C)C 1722665857 OQIIOTVPAMVEAR-QHCPKHFHSA-N 432.616 4.894 30 10 IJEE CC(C)(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1722960009 AVFCZJOQZDLIGR-IBGZPJMESA-N 444.624 4.916 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS[C@H](C)[C@H]1C 1740584925 SUDUZDQMMVARNW-RTBURBONSA-N 436.581 4.861 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@H](C1CCCCC1)N(C)C 1740733067 ZUNBGRSIIYVMDR-JYFHCDHNSA-N 437.607 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCc1nc(C)c(C)s1 1740733778 LNXOCYFYTFLSRN-RUZDIDTESA-N 449.624 4.782 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](COC(C)C)C1 1740778378 ZPMXKBLWBYFMPU-QHCPKHFHSA-N 449.599 4.559 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1740876486 SYCQSAZPHYQBJA-RTBURBONSA-N 429.609 4.594 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740880213 UQSBBQFFDPOAIG-HXUWFJFHSA-N 426.952 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCCC1(C)C 1740919504 IMDZTFZRJGXLGW-VWLOTQADSA-N 435.547 4.613 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC(C)(F)F)C1 1740977502 HXQHSQBGYOOXMC-AWEZNQCLSA-N 441.320 4.534 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)CC1CCC1 1748739157 XXCJNBCRBBCUIO-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1748755328 KLHVUVZMMNKDPO-UHFFFAOYSA-N 426.611 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[C@H]1C 1748876332 BYZDPPFIQSOAKI-IRLDBZIGSA-N 434.584 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(CCOC)CCC1 1749053836 MRAQNNJAPXKCSU-NTKDMRAZSA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)COC 1749055746 OKVMUCMLJJOTEH-MZNJEOGPSA-N 435.597 4.652 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1749311322 MHWQTCWCEISYIA-NLFFAJNJSA-N 440.588 4.760 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1749393552 ZKOARFPMBTVTBT-KDURUIRLSA-N 428.577 4.711 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1csc([C@H](C)OC)n1 1749465520 FTMMYFHDAIOQID-MSOLQXFVSA-N 441.601 4.869 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1c(C)noc1C 1749467135 HHZFFYAZYYGQJO-UHFFFAOYSA-N 434.569 4.847 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)C1CC1 1749554761 YMOMELCQHGUAPI-HSZRJFAPSA-N 444.551 4.562 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CCN1CCc2ccccc2C1 1749591595 WKWQLRDGTDEOBK-UHFFFAOYSA-N 447.627 4.753 30 10 IJEE C=CCn1c([C@H]2CCCCO2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1749627624 SLDQCLFHCLUEQS-OAQYLSRUSA-N 425.508 4.569 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(F)F)C1 1749761237 YQXAEUPZTGDCNG-GOSISDBHSA-N 431.556 4.682 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1760279975 GLIQNWFVHJASBZ-OAQYLSRUSA-N 443.705 4.783 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1760286009 YTZBZLQUGJZPDH-BVSLBCMMSA-N 438.641 4.801 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1(CC)CCC1 1760290853 ROQUBJCJEDSYRT-HXUWFJFHSA-N 430.394 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C 1760291568 UNCIVCQZXVPYEX-HYBUGGRVSA-N 426.008 4.711 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1760377566 GQDZTXVJSJOYAE-UHFFFAOYSA-N 448.423 4.659 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NC2CCCCC2)CC1 1760397552 WXJFMLBSVXFVEW-QHCPKHFHSA-N 435.616 4.671 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCc2nc(C)c(C)s2)CC1 1760405438 YNOBCJZSNUNUIU-UHFFFAOYSA-N 437.613 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1760408089 BKDYYPMEUXOIRR-IRXDYDNUSA-N 430.618 4.895 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760433846 WROYRQCMURUHLM-HSZRJFAPSA-N 445.615 4.520 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1760479406 NRHXWQXLDFYCGJ-NHCUHLMSSA-N 432.616 4.588 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H](O)C1 1760480374 SUUNEEIJYILGHJ-FYYLOGMGSA-N 447.608 4.546 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1C 1760480586 YYXCECXIDZIIRL-HYBUGGRVSA-N 426.568 4.764 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1cc(C(C)(C)C)no1 1760500008 RQFMRDFUGQYYFQ-UHFFFAOYSA-N 446.555 4.810 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1770548486 HCEXKDCRISGMDU-ZIBCJSCZSA-N 439.629 4.743 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1771431420 DMTNMKHHWRSOME-HKUYNNGSSA-N 431.556 4.974 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2)cn1 1858277644 GNKYBFLSZGSXTQ-UHFFFAOYSA-N 441.274 4.773 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)c(O)c1 1862384860 BYJVUJFVXCQZKT-GOSISDBHSA-N 436.291 4.639 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 1862391158 ULSMHBMUXGJHAG-FYYLOGMGSA-N 437.511 4.926 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCN(C)C)cc1 1862429652 RMHYDWMLWAZRJI-NRFANRHFSA-N 426.944 4.569 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)c1 1862431954 SCSCUNBSIYSCRZ-JOCHJYFZSA-N 449.890 4.838 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1O 1862436230 OGQMFIOGUWJXEO-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438815 RFXMYJLLVIYUAV-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862444630 CMKSXBRTTMTXCD-PJUBBZNESA-N 441.911 4.908 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1c(F)cccc1Cl 1862480412 GFBSMADCGBAVDS-NRFANRHFSA-N 444.934 4.708 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)c1 1862556297 SQAZQOCMYRCBDU-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862557865 PZRLDUSTTBXBNP-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1ccccc1 1862736617 KTHLAXZWMMUNPB-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc(F)c(F)c2)C1=O 1863078579 WAXBHRKXWHCTPM-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866771277 GDOWJTINJMRPRZ-MWTRTKDXSA-N 433.458 4.502 30 10 IJEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868494224 CNBYEAHBQKSLCP-UHFFFAOYSA-N 436.519 4.981 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CN(C)Cc1ccccc1 1870317778 GVBCURDESAMFGU-UHFFFAOYSA-N 432.564 4.904 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccccc3[N+](=O)[O-])c2C)C1=O 1871369445 LYWJQIVHRWQHTM-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 1871380829 DYRFKWQXODTFTL-RQXPBMLRSA-N 443.411 4.838 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)c(OC)c1 1871394533 CVRCBMWNBFCRDN-MXAYSNPKSA-N 443.499 4.584 30 10 IJEE CCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871418854 QVTUDKLCVNJIDJ-ZDLGFXPLSA-N 431.282 4.706 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)s1 1871444230 UURPRPANDNSNNN-VUQQOUJSSA-N 449.532 4.740 30 10 IJEE CCN(CC)CCOc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871452009 YVQNNMGBOZXPRF-CFRMEGHHSA-N 434.536 4.832 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1872019494 WPXQCURTTKSOEM-JOCHJYFZSA-N 428.598 4.887 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccccc1 1872102066 LORGYBGEMSHSAB-JOCHJYFZSA-N 425.554 4.542 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872465434 HHBGWQNYHGARAI-KUHUBIRLSA-N 441.018 4.940 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872542029 LOFFTOJREFSVMW-HXUWFJFHSA-N 444.597 4.523 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(OC)c1OC 1872777740 VATMCSJLUNBOBG-ZDUSSCGKSA-N 430.432 4.604 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2-c2ccco2)cc1OCc1ccc(Cl)cc1 1873502782 VMAWOPNAEUMLPY-FSJBWODESA-N 440.912 4.950 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(NCc3ccccc3C)ncnc21 1873618724 JLOQITGMJDNIMD-UHFFFAOYSA-N 440.551 4.856 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873646311 FVMHLSIOZIHFPW-ROUUACIJSA-N 447.583 4.781 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(O)cc1O 1874214419 LLRQDUWAPVNGPW-OEAKJJBVSA-N 446.960 4.739 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874215458 NTAHFESUECMUKE-FOKLQQMPSA-N 444.944 4.503 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874229862 GHUBWWMGUMWFSJ-SSDVNMTOSA-N 430.917 4.511 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1C 1874232861 VBRDNZATNLBCMJ-WGOQTCKBSA-N 444.560 4.672 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874264569 FOYVLCUZHCWPRI-OEAKJJBVSA-N 429.977 4.961 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc[nH]2)cc1 1874292992 KWPRQRXRWRDCIR-AFUMVMLFSA-N 433.537 4.677 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874305950 XRETWIDACDIAHL-YZSQISJMSA-N 429.549 4.641 30 10 IJEE CCCOc1c(/C=N/n2c(COc3cccc(C)c3C)nnc2SC)cccc1OC 1874322430 QJTCLEJEPHXGLC-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1 1874426893 GFYCPLALHLTXJH-PCLIKHOPSA-N 427.533 4.867 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccncc1 1874455035 XYRRGTNUMRLTLY-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2-c2ccco2)c1 1874467636 TWWWGYKSICHGFM-YDZHTSKRSA-N 442.541 4.500 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CCC2)c1 1874497667 UXKXBDGHDYDPKI-YDZHTSKRSA-N 430.574 4.508 30 10 IJEE OCCCSc1nnc(C2CC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874520178 FKJOJYSECPSDJU-ZVHZXABRSA-N 442.972 4.745 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2/N=C/c2cccc(Cl)c2)cc1 1874523678 AITOXFHIFWBZTK-YDZHTSKRSA-N 427.961 4.669 30 10 IJEE CCOc1cc(/C=N/n2cnnc2SCc2ccccc2C)cc(Br)c1O 1874536311 XLYGDVCKOGDCDX-LSHDLFTRSA-N 447.358 4.628 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)N(CC)CC 1874625628 ODMHXLTVFCDMGF-NTEUORMPSA-N 425.500 4.706 30 10 IJEE CCCCCCCCC(=O)NCCCc1nn2c(CCOc3ccccc3)nnc2s1 1874797908 KIQLXFVEEDJVLJ-UHFFFAOYSA-N 443.617 4.607 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875136567 QEOWVBCDHNHTQO-UKTHLTGXSA-N 431.444 4.956 30 10 IJEE CN1CCN(C(=O)c2cccc(C(F)(F)F)c2C(F)(F)F)[C@H](c2ccccc2F)C1 1891125020 LFZRSFAOZQBSIZ-INIZCTEOSA-N 434.355 4.992 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 1899555405 IAAPNUOCXDZZEV-LEWJYISDSA-N 438.549 4.644 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3c(Cl)cccc3Br)C2)OC1(C)C 1965482316 SQAHGABCAASODB-GFCCVEGCSA-N 428.563 4.801 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@@H]1CNC(=O)OC(C)(C)C 2006112536 JSXNCOLDTVOGHL-WAIKUNEKSA-N 431.533 4.634 30 10 IJEE C=CCC1(NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2020799515 WYDBXKXXDIDPTM-HSZRJFAPSA-N 437.625 4.711 30 10 IJEE CCCCC#CC[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2024367363 JLWBNDPRFYMTMW-DNQXCXABSA-N 429.649 4.964 30 10 IJEE Fc1cc(C(F)(F)F)ccc1Cn1ncc(I)c1C(F)(F)F 2079125697 UPGDYNPRPDMXBS-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNc2ccc(C#N)c(Br)c2F)C1 2106042814 QDSQMKBQAFHOCY-ZDUSSCGKSA-N 426.330 4.909 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181045749 NPOMFCKVOQFPBN-JXFKEZNVSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)C(=O)Nc1ccc(C#N)cc1Br 2181098073 JRMJBEISHFMVFJ-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CCC[C@@]1(C(=O)Nc2cc(Br)ccc2C#N)CCN(C(=O)OC(C)(C)C)C1 2181135328 PKNHULSEPZSWLA-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2ccc(Cl)c(Br)c2)C3)OC1(C)C 2194122034 YBGIEBSGHIDKCR-YJYMSZOUSA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)CC1 2205403555 XLPMBVFBTCZRNP-CTYIDZIISA-N 436.350 4.733 30 10 IJEE CCN[C@H](C#Cc1ccc(C)cc1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223325918 GUYLLBJMWAHTDJ-RPBOFIJWSA-N 436.596 4.825 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2235720608 HPPZYMUMOQNOKU-QWFCFKBJSA-N 435.406 4.862 30 10 IJEE CN(C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1(C#N)CCCCC1 2243904600 DSEVYOAFIAGPQB-UHFFFAOYSA-N 445.563 4.989 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2247937780 PIPCGWHIPXOWID-UHFFFAOYSA-N 425.403 4.883 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@H]21 2253868183 HMNWXHUHNMWHGD-JKSBSHDWSA-N 448.568 4.996 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC[C@@H]3[C@@H]3CCN(Cc4ccccc4)C3)CCC2)OC1(C)C 2267458527 XXHUORPZTPGWIM-FGZHOGPDSA-N 438.421 4.516 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(Br)cc1O 2294137468 FVJXMTVRDHWMBH-UHFFFAOYSA-N 437.290 4.584 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccccc3)ccc2O1 2296088593 GFGDSWNXNSYHBE-BVZFJXPGSA-N 439.511 4.674 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)o1 2296217297 SOFWDOSJHUMSON-GOSISDBHSA-N 433.346 4.769 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296221564 JUXCUMSXHHEDSW-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2296297246 WTEBZGCBMJUHDN-IMFGXOCKSA-N 435.406 4.672 30 10 IJEE O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)cc2)C1=C(O)c1ccccc1 2296767318 QDBQLIJELKVABC-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE C=CCOc1ccc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1OC 2297296643 VPCMWOVEZJHPQZ-UHFFFAOYSA-N 427.298 4.829 30 10 IJEE CN1CCN([C@H]2C(=NC3CCCCC3)N(c3ccccc3Cl)C(=S)C2(C)C)CC1 2297382616 PHFWHRMVACZCDR-FQEVSTJZSA-N 433.065 4.861 30 10 IJEE COc1ccc(C(=O)C=C(C(=O)c2ccccc2)c2ccccc2)cc1CN1CCOCC1 2297563609 XBMWSKKEGYGTOY-UHFFFAOYSA-N 441.527 4.677 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccsc3)CC(=O)O4)C2=O)cc1 2297591496 XDPCXWDGXPEYRK-KRWDZBQOSA-N 432.453 4.592 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1cccc(OC(=O)c3ccc4c(c3)OCO4)c1)C2=O 2314527369 SSINMLLJOPGPAO-UHFFFAOYSA-N 430.412 4.649 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(CCCCN(C)C)CO4)C2=O)cc1 2322122639 DYFMSPULWJXZHO-UHFFFAOYSA-N 449.595 4.643 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)c1 2322311378 SHCDDUKISPRGFL-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324373317 CJTQZNVIWIGHFT-INIZCTEOSA-N 443.455 4.746 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324474249 VIRNTCPLLLYCCC-INIZCTEOSA-N 433.460 4.927 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324676791 BCIGVCFVZVLUGD-UHFFFAOYSA-N 433.416 4.677 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OCC(N)=O 2324685025 RCVVUIPAQUHOAH-UHFFFAOYSA-N 439.895 4.661 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2ccc(F)cc2F)cc1OC 2325890089 GPOODQCKGPQARE-UHFFFAOYSA-N 446.523 4.743 30 10 IJEE COC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2328074068 GUMBKAYPMXTYOE-UHFFFAOYSA-N 449.363 4.517 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccn2C)cc1 2328563953 FSWPAFJQRIJJIJ-UHFFFAOYSA-N 449.555 4.920 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329740749 AICCVFRFZGYFNA-UHFFFAOYSA-N 446.935 4.926 30 10 IJEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)c1 2330454480 PLTGFSHLCYFGSF-UHFFFAOYSA-N 441.560 4.790 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2ccco2)c1C 2330458325 PBWSNXLLJQUPOS-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Cl 2330683646 CXTSKYNNSLWVOX-UHFFFAOYSA-N 428.912 4.683 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1OC 2330955060 UOPYWVVLNFWLAW-HXUWFJFHSA-N 438.553 4.711 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccc(F)cc1)Nc1ccccc1F 2331021468 VTZDXPWGVASLHH-UHFFFAOYSA-N 441.507 4.827 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)OCC(C)C)nnc1C1CCCC1 2331092646 LFLJCSRTQKIZHD-UHFFFAOYSA-N 442.585 4.674 30 10 IJEE CCCOc1ccc(C=CC(=O)NCc2ccc(OC(=O)c3cccc(C#N)c3)cc2)cc1 2331245589 ZTCROEYDMZVFAM-UHFFFAOYSA-N 440.499 4.896 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331281188 QVZXMGOSGXUEPO-UHFFFAOYSA-N 446.617 4.985 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2cccc(Cl)c2)o1 2331451216 BZBMSZVXFHPRTR-UHFFFAOYSA-N 432.933 4.684 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1 2331661928 KPKMANXBINFLFF-UHFFFAOYSA-N 449.942 4.760 30 10 IJEE CN1/C(=C/C(=O)COC(=O)/C=C/c2cccc(Br)c2)C(C)(C)c2ccccc21 2636452 MKNUCCJUHVOHCI-BYZGDSIHSA-N 440.337 4.886 30 10 IJEE Cc1ccc(NC(=S)/N=C(\NCCc2ccccc2)Nc2nc(C)cc(C)n2)c(C)c1 14156938 UUMUMYXTHUJLMY-UHFFFAOYSA-N 432.597 4.707 30 10 IJEE O=C(CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1)OC1CCCC1 20908920 ILNHZQQJBDXOOB-UHFFFAOYSA-N 449.580 4.636 30 10 IJEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)c1OC 41588427 FQYYCXRXYOOCJZ-QRVIBDJDSA-N 443.499 4.981 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccc4c(c2)OCO4)CO3)C1=O 41658715 UWNBONKKSQATAK-MYKKPKGFSA-N 427.456 4.692 30 10 IJEE CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1Br 169937956 WOKYVVXHIURYIK-GOSISDBHSA-N 431.355 4.524 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1CCCOC(C)C 169948369 RQDQNOWBWMXDMO-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 169959760 NQKFNGRJURYLKG-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOC(C)C)c1 170035239 NLFXIYPPYWMOEQ-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1 170048412 UDSOZHFBQRZEGD-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1 170055367 PLGKOKWZIWHCAJ-VWLOTQADSA-N 429.491 4.966 30 10 IJEE C[C@H]1CCCN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)C1 170066216 DYUGZCRVINNSAB-AWEZNQCLSA-N 440.330 4.881 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3cc(C)ccc3[nH]2)[C@@H]1c1ccc(C)o1 170103454 BXEGILFIWPPEQS-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)c1 170248410 FJIASDFUUUIQBT-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(O)c1 170259914 FBVQEWIBRNKBCU-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@@H]3c3ccco3)oc12 170296233 IXPNBDQJUDVPFF-OAQYLSRUSA-N 447.418 4.952 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC)c1 170323088 ZIVJPOZAIDZJJT-DEOSSOPVSA-N 449.547 4.579 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc2oc(Br)cc21 223722770 UCBZZDVVZQRDPG-UHFFFAOYSA-N 442.313 4.671 30 10 IJEE CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1ccc(C(=O)OC)cc1 252624951 PYYUBFNTSIZORH-OYBLBNEUSA-N 445.338 4.860 30 10 IJEE Cc1cc(-c2nn(-c3ccccc3)cc2C=NNc2ocnc2C#N)ccc1OC(C)C 254354433 UGPPVLAJLUMPOA-UHFFFAOYSA-N 426.480 4.941 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)SC1=Nc1ccc(Cl)cc1 254402887 LXPDZJVQBZEZRJ-LBPRGKRZSA-N 428.945 4.513 30 10 IJEE N#Cc1ccc(-c2cccc(CNc3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)c2)s1 301416413 BWNIGHTYYSMFOX-UHFFFAOYSA-N 437.468 4.565 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccccn1 438897310 DUVZQLWMEJNSRB-INIZCTEOSA-N 435.336 4.839 30 10 IJEE Cc1nc(-c2cccc(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)c2)oc1C 446224692 HLOVNYQUQLQHEU-UHFFFAOYSA-N 431.496 4.737 30 10 IJEE C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)c1ccc(Cl)c(Cl)c1 483527098 FIRIZUZAXDCTJT-RYUDHWBXSA-N 426.325 4.562 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OC2CCC(C)CC2)CC1 508684042 WTWFYCHQTNLHMG-XWEVFREBSA-N 438.572 4.541 30 10 IJEE C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 508940012 WASSIEWERFTMHY-AWEZNQCLSA-N 437.491 4.702 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 521710375 HWUUISOERRBXDL-MRXNPFEDSA-N 429.546 4.503 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cccc(Cl)c1 526826896 LBRURJZJABCHBX-QRVIBDJDSA-N 428.945 4.845 30 10 IJEE CCOCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C)(C#N)CC1 549394450 HUZXAXVDJZFRPO-KRWDZBQOSA-N 427.618 4.688 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cccs2)C1 549637459 ABOYZJPQYZQUKJ-GOSISDBHSA-N 430.961 4.726 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccccc2)CC1 571661883 ZVQFGJWNXLYBMO-HSZRJFAPSA-N 428.536 4.630 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 573461517 ACAPQPAWOIOFER-MRXNPFEDSA-N 428.993 4.514 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3cc(C)ccn3)C2)c1 585878164 CCUDAZNHPTZJFQ-NRFANRHFSA-N 435.572 4.654 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccc(OC)cc3)C2)c1 585997315 ZTOWDVNCUPUABW-JOCHJYFZSA-N 435.568 4.567 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1sncc1Br)NCCC 719922168 XNWMSDQMLCJWMS-GJZGRUSLSA-N 432.428 4.676 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728902791 AUWQEMOANBZURJ-UHFFFAOYSA-N 449.555 4.779 30 10 IJEE COc1ccc(Sc2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2Cl)cc1 732699163 ZOXKVYFQOSTPIF-QGZVFWFLSA-N 442.972 4.704 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1Cc1cc(Cl)ccc1OCC#N 779608271 FPBFQNIQTFPMQU-JOCHJYFZSA-N 436.943 4.618 30 10 IJEE C=C(C)CNC(=S)/C(=C(/O)c1ccc(C(=O)OCC)cc1)[n+]1ccc(C(C)(C)C)cc1 783959624 URRAPFSLXXQQFM-UHFFFAOYSA-O 439.601 4.825 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 920782648 BSUCYFYJNDDZFL-HXUWFJFHSA-N 442.357 4.604 30 10 IJEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=Cc3cccc(Cl)c3Cl)cc2)n1 1083916865 NOTHNSYLYIBAEZ-UHFFFAOYSA-N 435.336 4.952 30 10 IJEE Oc1ccc(Br)cc1C=NN=C1c2ccccc2-c2nc3ccccc3nc21 1084120638 YSYYVWLMXZPIET-UHFFFAOYSA-N 429.277 4.950 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1125637761 HFWFYUNUTCPNRK-NYHFZMIOSA-N 439.383 4.834 30 10 IJEE C#CCN(C(=O)c1ccc(CSC)cc1)[C@H]1CCOc2ccc(Br)cc21 1126152134 YVOBEYAXJWGXFT-IBGZPJMESA-N 430.367 4.911 30 10 IJEE C#CCN(C(=O)[C@@H](C)OC1CCCCCC1)[C@H]1CCOc2ccc(Br)cc21 1126228163 GEZZQIRGTPHSOX-UZLBHIALSA-N 434.374 4.862 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 1126962563 JAEIJJKLNTUTBC-UHFFFAOYSA-N 426.513 4.580 30 10 IJEE Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1137136929 FZKDDDBARWBEFK-KSSFIOAISA-N 427.570 4.847 30 10 IJEE O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@H](O)c1ccccc1C(F)(F)F 1138768574 AMIMXJLLCJQOQJ-OAHLLOKOSA-N 425.300 4.848 30 10 IJEE C#CCCCCNC(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1150710715 CWSWZHOQRQVNCY-VWLOTQADSA-N 432.564 4.812 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCCC[C@@H]1/C=C/c1ccccc1 1168144751 GZPKEXWJBMLRLI-POICXBNUSA-N 425.536 4.640 30 10 IJEE CO[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1Cl 1214528611 BCGQCPFZMPETQI-LJQANCHMSA-N 426.929 4.768 30 10 IJEE C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)N(C)c1ccccc1 1220625712 GZYQQMBCGIGACN-FQEVSTJZSA-N 430.527 4.934 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(Cl)c(OCC)c(OC)c1)c1ccc(Cl)cc1F 1221198246 OLCQQLWZKGAVFZ-QGZVFWFLSA-N 425.287 4.714 30 10 IJEE C=CCC[C@H](C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1267702585 WZBIFUFPRCENOO-PMACEKPBSA-N 430.470 4.673 30 10 IJEE C#CCCOc1ccc(C(=O)O[C@H](C)c2ccc(SCC(=O)N(C)CC)cc2)cc1 1274700717 KXPXXAUATHBMBA-GOSISDBHSA-N 425.550 4.577 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)c1ccc(Br)cc1 1275465015 RFXMSOHUQAHQRN-IFXJQAMLSA-N 425.330 4.578 30 10 IJEE C#C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(Cl)cc1F 1275497673 HCEQGRYHXDXBHD-OAQYLSRUSA-N 447.897 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1286303378 BIEQSSHCGFOIIC-FKBYEOEOSA-N 439.673 4.705 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCC 1286303793 DAHZUOYIVSJCTE-AZUAARDMSA-N 446.064 4.946 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCc2sccc2C1 1286314405 NTVQVZMYKWYLSU-UHFFFAOYSA-N 447.608 4.965 30 10 IJEE C#CCCCn1c(N2CCCC3(CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286359656 GPBRJGMBUASXLR-BGYRXZFFSA-N 441.620 4.623 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCC1(F)F 1286399580 JMGHEMKAZXWKBC-QZTJIDSGSA-N 446.929 4.970 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccccc1C 1286437615 JWLBEWGOKFTDGN-SFHVURJKSA-N 434.609 4.978 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1cccs1 1286450547 DTLTUEOAQMCLGX-ZHRRBRCNSA-N 444.988 4.500 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1cccc(C)c1 1286535728 FUECILALJCWICU-SFHVURJKSA-N 426.362 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1286572212 ZCYMUHSJDDODAQ-NZQKXSOJSA-N 434.588 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCc1nnc(C)s1 1286572263 ZPRRKYZPLCNAJU-UHFFFAOYSA-N 435.601 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccnc(OC2CCCCC2)c1 1286583210 NRJQJYNDKHKYKZ-OAQYLSRUSA-N 425.577 4.687 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286602126 YUUSEYOBTDDBDP-NRFANRHFSA-N 438.616 4.862 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286701866 AZHLHHAOPPPPLD-RHSMWYFYSA-N 428.886 4.645 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOC)CC1)C1CC1 1286734321 QEWWPJJOFYKQBV-UHFFFAOYSA-N 449.368 4.818 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1300813238 DVELEXOXZHHOEZ-VXQMPNGUSA-N 434.628 4.897 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H](C(C)C)N1CCCC1 1300813691 PUDJKZUENDOIKX-RPLLCQBOSA-N 433.644 4.566 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CCSCC 1300832724 OSZQLHYESUAADQ-OAHLLOKOSA-N 434.407 4.693 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2ccco2)N(CC)CC)CC1 1301078883 XAUHBDQRGIULKJ-OAQYLSRUSA-N 435.572 4.786 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2ncc(C)s2)CC1 1301113815 GZHUWAITOKODNM-CQSZACIVSA-N 428.993 4.965 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)c2nccs2)CC1 1301135317 IYCJLTPMXKFLEO-QXAKKESOSA-N 429.634 4.859 30 10 IJEE C=CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC1)c1ccccc1 1301163689 LVPWPZZGPCZHLH-KRWDZBQOSA-N 426.362 4.996 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1301176976 NRMMFPFWMNSOPX-FQEVSTJZSA-N 429.996 4.840 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@@H](C)C1 1301335158 YDHFOSSLSQEYPL-SFTDATJTSA-N 449.599 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1301375965 VJIVBNQCTHEDQI-LJQANCHMSA-N 438.576 4.542 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CC)s1 1301411274 XBBXPKAZQRJNBK-GOSISDBHSA-N 426.586 4.672 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2F)n1CC1CCN(C2CC2)CC1 1303063192 CPWFOUWPRRXOGE-UHFFFAOYSA-N 438.595 4.725 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1OC 1352401356 ITESTBLIGQMICD-WEVVVXLNSA-N 447.560 4.931 30 10 IJEE COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c1 1357229067 CMOQJDPEFCLXPJ-UHFFFAOYSA-N 429.354 4.905 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1 1357412850 IOCKGNWKKXVZQS-UHFFFAOYSA-N 448.755 4.770 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H](c1cccnc1)C(C)C 1359012937 DJQBSTZXOXTQLW-QHCPKHFHSA-N 431.584 4.768 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(C)(C)C2CC2)CC1 1359158369 OZXGQTVRLARRSL-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC2CCOCC2)CC1 1359175591 SEJAKQJDYZMBSO-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC(C)(C)C1)c1ccccc1 1359193615 GZUIENKDNJAFAE-FQEVSTJZSA-N 437.975 4.969 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCN(CC)C(C)C)C1CC1 1359247720 MUEXIJVUDQZDSP-UHFFFAOYSA-N 432.410 4.593 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC2(C1)OCCO2 1359268071 CDAKDUHFDKPZMC-MRXNPFEDSA-N 449.382 4.974 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ncc(C)s1 1359274292 IHLLVCYKXAGGCJ-QXAKKESOSA-N 429.634 4.944 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H](SC)C(C)(C)C 1359275559 XLJLWNRWOWWAME-OAQYLSRUSA-N 436.629 4.748 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1359346569 ONWGBOQIQGCEME-UHFFFAOYSA-N 443.375 4.815 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)c(C)o1 1360997468 HSQAPRVMXJLHSR-XOWTYJCDSA-N 433.556 4.559 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)c(Cl)c4)cs3)cc2C1=O 1434877939 WKYVNOKKOXVNLP-UHFFFAOYSA-N 441.871 4.637 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1 1435306137 FEZBAUHAXUTOQB-MBSDFSHPSA-N 425.488 4.583 30 10 IJEE C#CCC1(C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)CCCCC1 1435758665 AMLUMLLQBKTIHP-UHFFFAOYSA-N 432.280 4.937 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 1437057119 CGBJVFNJOXGANU-CYBMUJFWSA-N 429.364 4.785 30 10 IJEE C=C1CC(C)(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 1440412029 IJDRZLXTRXCTLC-UHFFFAOYSA-N 435.343 4.545 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 1446738031 ZBXXHNPISPICMW-CZUORRHYSA-N 434.886 4.789 30 10 IJEE C=CCCC[C@H](NC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12)C(=O)OC 1455838915 XAEVGYZINSBYDM-SFHVURJKSA-N 445.357 4.811 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1 1458258503 ZSGSAAXGYBAMON-JSGCOSHPSA-N 426.330 4.589 30 10 IJEE C=CCn1c(SC[C@@H]2CCCC[C@@H]2C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 1458722486 BSINFDZXYJUSTC-HOTGVXAUSA-N 446.638 4.984 30 10 IJEE C#C[C@H](NC(=O)C(F)(F)c1ccc(Br)cc1)c1ccc(Br)cc1 1460784021 HSUYSSHYZALOMG-HNNXBMFYSA-N 443.085 4.794 30 10 IJEE C#CCN(Cc1sc(N(C)C)nc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1461985543 DQLZPDJDCRNNOW-CQSZACIVSA-N 440.794 4.584 30 10 IJEE COc1ccc([C@@H](CO)N(C)C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)cc1 1466569172 FJCZXHCVCIDAQS-JOCHJYFZSA-N 433.533 4.915 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(Br)cc1F)C(C)C 1467660192 JWIYHFWHQCULFC-KXBFYZLASA-N 426.374 4.647 30 10 IJEE C[C@@H](NC(=O)NCc1ccccc1OCCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1468316717 ALAKOEAKLGRXCY-HXUWFJFHSA-N 442.563 4.726 30 10 IJEE C#CCN(C(=O)NCCc1coc(-c2ccc(OC)cc2)n1)[C@H]1CCCc2ccccc21 1468459800 MGOKPESDQPDDOE-DEOSSOPVSA-N 429.520 4.615 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1468949575 WORXKUKKPMBSJZ-RUZDIDTESA-N 446.538 4.539 30 10 IJEE C#C[C@H](NC(=O)N(CCC)CCOc1c(Cl)cc(Cl)cc1Cl)C1CCOCC1 1470864623 HEOAIVVDYWIYSE-SFHVURJKSA-N 447.790 4.876 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)c1 1471350401 GGZSRFWDMDYLBS-LJQANCHMSA-N 430.321 4.767 30 10 IJEE C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2)n1-c1ccc(CCCC)cc1 1472929082 JUHGSRWUQCKHEP-IBGZPJMESA-N 432.593 4.815 30 10 IJEE C#CCN1CCC[C@H](NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1 1474266056 KZAFJRBNTBALEU-FQEVSTJZSA-N 433.379 4.768 30 10 IJEE N#Cc1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)c1 1474855980 DVFIXPKGVXXXHO-HXUWFJFHSA-N 445.313 4.528 30 10 IJEE CC(=O)c1ccc(NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1C 1476291467 NRGKVUBEKLIYNR-STQMWFEESA-N 444.322 4.832 30 10 IJEE C=C(Br)CNC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br 1476876188 CUUTYDXCRBEFHM-UHFFFAOYSA-N 435.997 4.517 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CCC(OC)CC1 1507705878 XSQNAGJGYFZQJG-UHFFFAOYSA-N 438.616 4.534 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H]1CC=CCC1 1507748667 MCHYFSBLJREZLE-KRWDZBQOSA-N 431.005 4.766 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCCc2ccc(OC)cc2)nnc1C(C)(C)C 1507808224 GNIMJYMDAVQUAP-IFMALSPDSA-N 426.605 4.634 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N(C)Cc1cc(Br)cs1 1507835421 AEPYNMJUUMVNJU-CQSZACIVSA-N 427.412 4.845 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2Br)CC1 1507904722 SMQSSWVJJWCPQH-IBGZPJMESA-N 431.378 4.733 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 1507927633 AGLOJMZJGLSSPC-IFMALSPDSA-N 435.616 4.633 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1507931109 SWTWEZCFLNGGNB-UHFFFAOYSA-N 436.457 4.829 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC2(CC1)C(F)(F)C21CCC1)C(C)C 1508011585 TXOARPDHJNLFHE-HXUWFJFHSA-N 433.591 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CCc1nccc(C(F)(F)F)n1 1508015055 IYNNDEWEVDNIEE-UHFFFAOYSA-N 448.880 4.828 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1508038703 BUJIXGWPOPVEGB-IAGOWNOFSA-N 438.494 4.886 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](C)[C@H](C)C2)cc1 1508105837 SIJDOLRMOYZNCB-QZTJIDSGSA-N 437.613 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2sc(C)nc2C)C1 1508115802 LNSAETOHBUXTDN-OAQYLSRUSA-N 437.613 4.605 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccnc(OC2CCCC2)c1 1511228085 GKULHTGRMBZGSC-SFHVURJKSA-N 430.556 4.614 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)c(OC)c1 1521158067 BZBSUSXGBWEKAC-UHFFFAOYSA-N 439.895 4.537 30 10 IJEE CC(C)(C)c1cc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n(-c2ccc(C#N)cc2)n1 1521185231 FTRNQHGVPJESKT-LJQANCHMSA-N 441.535 4.571 30 10 IJEE C=CCN(C(=O)COc1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1522166521 MFDVKMBWAZPVCL-FQEVSTJZSA-N 436.335 4.561 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(c3cccc(F)c3F)CC2)cc1 1524954559 CXWKJBYFIZFQFY-UHFFFAOYSA-N 433.458 4.900 30 10 IJEE COc1ccc2c(c1)c(C(=O)NCc1ccc(C#N)c(F)c1)c(C)n2Cc1ccccc1 1525457671 ARCJJHLRESHCFT-UHFFFAOYSA-N 427.479 4.947 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)C(C)(C)C)cc1 1529501473 UHQWBKLHUAVJLA-UHFFFAOYSA-N 429.582 4.551 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)C(F)(F)F)cc1 1532557380 BXFZEZJAIHWMOP-OXJNMPFZSA-N 433.451 4.590 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)c1ccc(C(F)(F)F)cc1 1534434214 LNZDKYXNTVQVJI-RDTXWAMCSA-N 431.458 4.920 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(c2cccc(F)c2C)[C@@H]2CCO[C@@H]2C)cc1OC 1534920080 KACAYNXXFDZJPU-WNNLCPRBSA-N 425.500 4.931 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c1 1537134461 NGMHLEYZUGVWCA-QFIPXVFZSA-N 426.491 4.702 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1OC 1537496832 ABMZBGFDTMGGCZ-UKTHLTGXSA-N 448.485 4.930 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1538985754 CXKNJYWIMFTKSW-IBGZPJMESA-N 430.600 4.686 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539045437 UQTMFVKYCSLZJT-KDURUIRLSA-N 443.542 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@H](F)c1ccc(Br)cc1 1539325302 GJPQKRMKIMRFEZ-IBGZPJMESA-N 445.380 4.803 30 10 IJEE COC(=O)N[C@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(C)C 1539455872 HWKDRDNJOBMDNP-SFHVURJKSA-N 435.402 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@@H](C)C1 1539540337 LGFZZZGOUCDXST-PNLZDCPESA-N 443.389 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1539621540 AOSPXEMYTSJAHP-ICSRJNTNSA-N 445.489 4.577 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1539630277 DZDAULHCUVETHT-AUSIDOKSSA-N 439.560 4.535 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(OC)C2CC2)CC1 1539839691 BLCCPLSQAOALAI-RUZDIDTESA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cc(C)nn2C)CC1 1539875348 WICWRXIYPLGGBH-HXUWFJFHSA-N 434.588 4.528 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1539917062 QVGDVAHHMWZJBG-HXUWFJFHSA-N 427.549 4.709 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1539960722 FVPDWGDWCHPDAI-IBGZPJMESA-N 434.588 4.514 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(c2ccnn2C)CC1 1539974587 RLVOKNATNFBQPX-UHFFFAOYSA-N 434.588 4.639 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1540013643 UDSPZQJGHOADFK-NRFANRHFSA-N 426.605 4.982 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H]1CC 1540029141 NCQUCMASXMUGCY-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1nccn1C(F)F 1540122142 ZTKFTYAJLXMGGI-UHFFFAOYSA-N 444.530 4.708 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CC1(C(=O)NCC)CCC1 1540137316 QXFWCSLVEXVHKP-UHFFFAOYSA-N 441.595 4.505 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1540161962 JCYVXXMTGBROEH-SIKLNZKXSA-N 438.572 4.694 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(C)C)C1 1540881613 NULJFCFPHHLPAB-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCc2csc(C(C)C)n2)C1 1540895117 LSSWRFUWQCNDHH-HXUWFJFHSA-N 429.634 4.615 30 10 IJEE CCO[C@@H](CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)C(C)C 1547847738 FCTDTCWNNONVPO-DEOSSOPVSA-N 448.615 4.931 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 1561117893 QSNHHVYTCDJCKE-FICVDOATSA-N 429.426 4.993 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)c1ccc(C#N)c(Br)c1 1561204194 CJCCZPOPVCLSLR-JTQLQIEISA-N 448.169 4.537 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 1564913789 USOJQZIEHDZVRL-NZQKXSOJSA-N 437.971 4.985 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(O)c(Br)c2)s1 1566360847 ATPZCBODFLYBCU-UHFFFAOYSA-N 447.807 4.623 30 10 IJEE C=CCC1(C(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)CCOCC1 1568725827 ICUJZULNWSHYRN-UHFFFAOYSA-N 435.590 4.569 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1N1CCCCC1 1584373800 KEXSWNDBUDEELL-QGZVFWFLSA-N 425.932 4.790 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Br)c1ccc(Cl)cc1F 1584727633 SYUIXGUSPVREAC-MGPLVRAMSA-N 428.660 4.639 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](OC)C(C)(C)C1 1587711593 BGPRQWBSZJCONZ-SFHVURJKSA-N 449.368 4.511 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1587865644 UGCVFQAAAMQKAQ-DNQXCXABSA-N 433.644 4.682 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCO[C@@H]1CCCC[C@@H]1C 1587946388 ZKRLUCBGKVKMOV-HNAYVOBHSA-N 449.368 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCCN1CCC[C@@H](C)C1 1588189650 PEIHCBHWHYIBKS-OAQYLSRUSA-N 438.019 4.574 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H](C)C1CCCCC1 1589037350 YHWVMPJRMVXJQP-SFHVURJKSA-N 442.629 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nc(C)cs1 1589625338 BVKYLVVMCHOMCU-UHFFFAOYSA-N 441.601 4.957 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](COC)C1 1593840174 CQLLRYQIQPPJAV-GOSISDBHSA-N 442.947 4.732 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1594024068 RLPJIIFPWIFTKN-HKUYNNGSSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1594456049 XMOZWQPPQHAVDF-ICSRJNTNSA-N 427.637 4.527 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1Cc2cccc(Br)c2C1 1594617420 ZFPDDNOIWWFJQI-KRWDZBQOSA-N 431.378 4.811 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCc1sccc1C 1595127521 SFIMLCWWOGPYOX-UHFFFAOYSA-N 436.560 4.623 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1595844382 AMDLFUOQPBVOEG-UHFFFAOYSA-N 449.020 4.640 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)c1ccccc1 1598122279 OONCOPBBAKOMNA-DNQXCXABSA-N 426.988 4.658 30 10 IJEE C=CCn1c(Sc2ncnc3[nH]cc(CC)c23)nnc1-c1ccc(Br)cc1 1611760507 DYOHZRPWTFJPLS-UHFFFAOYSA-N 441.358 4.879 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1 1622701521 ULADFKOIWCGCQZ-UHFFFAOYSA-N 428.492 4.973 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1622944696 AFEXGZDKHZDOGD-UHVQDMTHSA-N 446.617 4.536 30 10 IJEE CCNc1ccc(C#N)cc1NC(=O)CSc1nccn1-c1cccc(Cl)c1C 1622946997 HWIDISADVSHEBN-UHFFFAOYSA-N 425.945 4.868 30 10 IJEE CC(C)(C[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1)C(N)=O 1624478457 HKUATYCOKNERSU-FQEVSTJZSA-N 435.593 4.604 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(NC2(C)CCCC2)n1)c1ccc(Br)cc1 1625077499 BBPFHKRVNLMCBM-QGZVFWFLSA-N 432.387 4.683 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)CN(C(=O)OC(C)(C)C)C1 1628312643 PMELITBAXYCEHB-QGZVFWFLSA-N 426.561 4.608 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1629242526 HSPBQHLJHSFJLY-QVKFZJNVSA-N 434.508 4.630 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cccc(Br)c1O 1635839412 CJUYDVLOMFKLMN-UHFFFAOYSA-N 430.220 4.668 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21)C(C)C 1635870015 SSGXQTKZNSVEBB-GBXCKJPGSA-N 443.547 4.618 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 1637374347 WZBAFEWBBATDAN-ZDUSSCGKSA-N 441.341 4.579 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1638782570 APIOAOUMTZWOMU-INIZCTEOSA-N 442.478 4.790 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 1640460230 VZRMOFBBNPPFSR-UHFFFAOYSA-N 441.531 4.902 30 10 IJEE C=CCn1c(SCc2ccc(I)c(Cl)c2)nnc1C1CC1 1640703606 YEOVPBZIUQXEIP-UHFFFAOYSA-N 431.730 4.892 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1641527090 MFDFIJFZXAZLRP-HNNXBMFYSA-N 439.364 4.634 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1 1642500433 LPNYAMVWTHUBSR-HXUWFJFHSA-N 428.532 4.935 30 10 IJEE C=CCN(C(=O)CN1CC[C@@]12CCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1646253373 GQAATBBOUCBXGE-FQEVSTJZSA-N 438.380 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)c1ccsc1 1649544630 WYCHWJHUMCZNDP-XMMPIXPASA-N 449.580 4.972 30 10 IJEE C#CCN1CCC[C@H]1C(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(C)cc1 1651102856 CZKLOOXPFZZAAY-NRFANRHFSA-N 441.369 4.606 30 10 IJEE C=CCn1c(SC[C@@H](C)NC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652349282 TVRQAXDLCGTBRS-ZIAGYGMSSA-N 449.642 4.774 30 10 IJEE C#C[C@@](C)(CC)NCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 1653663449 VUYVRUWTTWIFOO-QHCPKHFHSA-N 444.000 4.863 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)n(Cc2ccco2)c1C 1654691016 BJRQHSAWSALFMJ-ISKFKSNPSA-N 430.552 4.825 30 10 IJEE C=CCN(CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)Cc1ccc(OC)cc1 1657027937 GDKFKCWLWCRVTE-UHFFFAOYSA-N 433.577 4.704 30 10 IJEE Cc1nc(-c2cc3c(s2)CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C3)cs1 1658008821 HMHZISRVTIOZIC-UHFFFAOYSA-N 428.970 4.702 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 1664630275 CJMYUNGCAAHGDR-MUUNZHRXSA-N 432.656 4.860 30 10 IJEE C=C(C)CN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1666404820 NCGNROQVQHWBRE-UHFFFAOYSA-N 431.558 4.549 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)c2ccccc2C)cc1 1667321935 JTCLJBVEUQYYAU-QFIPXVFZSA-N 429.586 4.710 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C 1668448969 VYZQPDNYDFXFJM-UHFFFAOYSA-N 439.313 4.814 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)CC1 1668454302 BUSZJQMRZMFZRJ-UHFFFAOYSA-N 449.732 4.887 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1C#N 1672087550 DZLFPELHBLOOIH-UHFFFAOYSA-N 429.467 4.529 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@H]3c3cncc(Br)c3)cc21 1674684543 AFGQVGRBDLDVHX-SFHVURJKSA-N 426.318 4.749 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 1677061148 IEHWRKWNTTXAIA-FQEVSTJZSA-N 444.373 4.747 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 1682348841 MEJUWUWPWRAEFU-CTNGQTDRSA-N 443.563 4.617 30 10 IJEE C=CCc1cc(CNC(=O)NCc2ccc(C)c(Br)c2)cc(OC)c1OC 1683367136 JDJGHKAXIKIIEO-UHFFFAOYSA-N 433.346 4.503 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN(CC(C)C)C1 1689946206 NLUSJYAIAUVJKC-PMACEKPBSA-N 444.023 4.509 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC1(C)C 1690182721 FJOOAWFXGDXDRN-UHFFFAOYSA-N 426.630 4.900 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC2CCCC2)nc1 1690262439 AAOHXOZLMCSUQL-UHFFFAOYSA-N 432.572 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1c(C)noc1C 1690435263 XHHJFGXGTDIQMT-UHFFFAOYSA-N 429.515 4.991 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1690483939 ZHBCQUQCHHJMRO-UHFFFAOYSA-N 439.604 4.636 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cccc(NC(C)=O)c1 1690575846 CMUILUQDWPPKBL-UHFFFAOYSA-N 444.564 4.601 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@@H](O)C1 1690605762 WFMUKUSHIKGPLD-WIYYLYMNSA-N 440.975 4.978 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCc2ccc(Cl)s2)C1 1690694830 WJNHMMFSYKGTSN-MRXNPFEDSA-N 444.988 4.693 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCO[C@@H]1CCCC[C@H]1C 1705478030 VNKQAZVUZADEQB-XODKDNOYSA-N 428.552 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cc(C(CC)CC)no1 1705491046 WVHKXKNZPSOLPP-KRWDZBQOSA-N 444.539 4.998 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1705515302 AAZHBFOTBKMNAL-LEWJYISDSA-N 446.954 4.694 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1705618194 XEXVXAWYOUFIKL-UHFFFAOYSA-N 446.064 4.948 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@H](F)C1 1705669380 KPZDYSVTPNECEY-UQASEVPWSA-N 431.353 4.838 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1705757365 IWFJUOJMMCZRER-IBGZPJMESA-N 442.032 4.784 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ncc(CC)s2)CC1 1705784289 OORLILCZVLKVCV-UHFFFAOYSA-N 437.613 4.542 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705800951 ONAXBNFDVSKYAT-HSZRJFAPSA-N 448.615 4.910 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCc2cccs2)CC1 1705803098 FOGRQKBTCRGAGF-UHFFFAOYSA-N 446.624 4.599 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)(C)C)CC1 1705811895 MRVRRCQRNAWKQG-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(C)OCCc2sccc21 1705834051 CGVBTNRYLCGLEP-QMHKHESXSA-N 442.560 4.729 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705844339 AMJVCRJCSCKPDN-IBGZPJMESA-N 445.995 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCO[C@H]2C(C)C)C1 1705918463 JYGVOUIESYGYLO-JQVVWYNYSA-N 445.007 4.831 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1 1705941570 NZPDURMMOQQIIB-UHFFFAOYSA-N 437.400 4.541 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1706560207 ATUGOTBSUJWBNM-UUOWRZLLSA-N 435.597 4.844 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1722311577 HUIANEIHXSJMFO-GOSISDBHSA-N 430.955 4.794 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(F)F)C1 1722314684 CIAIQWGYURGIPI-GOSISDBHSA-N 425.483 4.885 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccc(Cl)s1 1722376293 ZTLQPTUJSKLKEE-UHFFFAOYSA-N 446.910 4.577 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1ncc(C)s1 1722416370 LMUOSVNCMICFDJ-KRWDZBQOSA-N 425.627 4.907 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC(C)(C)N1CCCCC1 1722417671 OWYPHFIIGXIBGM-HXUWFJFHSA-N 425.596 4.835 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCc1nc2c(s1)CCCC2 1722643400 MAYJWIINXAEVAM-UHFFFAOYSA-N 437.613 4.674 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)C1CCCCC1 1722657660 JGJPRROWVSYWHE-AREMUKBSSA-N 431.584 4.864 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC)(CC)C1 1722738259 DROXZEKMRRRABQ-HXUWFJFHSA-N 428.602 4.726 30 10 IJEE CCCCn1cc(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCC(C#N)CC2)c(C)n1 1728067553 CMTPWKLKOQZUCD-XMMPIXPASA-N 445.615 4.913 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@](C)(O)[C@H](C)CC 1740678813 JGMXGSUGVJJOCZ-CLOONOSVSA-N 426.580 4.587 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCS1 1740724360 AQJJYHLMPWAEON-MEKIYTOJSA-N 440.613 4.705 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CCSCC 1740740534 FKMRIMRYTSTNQD-ZDUSSCGKSA-N 444.830 4.870 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H]1CC 1740768050 SPMRFHSKPAVDMH-REHUZNOOSA-N 440.588 4.616 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1740784352 BSNDGQAWLDMXJH-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740850558 LZFOHICROILLSQ-HKUYNNGSSA-N 436.522 4.822 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1740871639 JTZSMMDRPYATFH-UHFFFAOYSA-N 436.991 4.903 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1ccncc1Cl 1740935424 LXYMMUQRMLMNON-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC=C)C1CC1 1740971681 STXFJGDHIYITLL-FYYLOGMGSA-N 436.600 4.965 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)C#N 1741127383 AUCPYBNRXWQVKH-QINHECLXSA-N 433.959 4.785 30 10 IJEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1741444229 DCWRFCCMKUMEOL-QPPBQGQZSA-N 434.632 4.517 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@@H](F)C2)cc1OC 1745802919 FKSYZDMWDZHCCY-ZHALLVOQSA-N 429.540 4.619 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(Cn2cccn2)CC1 1748739782 JVCDKRHCDYXKKG-UHFFFAOYSA-N 430.600 4.769 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1748762308 KDCPZRJURXJEQS-GOSISDBHSA-N 444.511 4.513 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1748764341 LVFOOLQNHKJUDM-DNQXCXABSA-N 449.643 4.847 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1CCO[C@@H](C)C1 1748770703 DLSKNPCDUYXPJR-UFYCRDLUSA-N 445.007 4.963 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1748771965 LUPKOPBFGNPQOL-JOCHJYFZSA-N 430.600 4.610 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CCN(CCC)CC1 1748914807 NXZFONHGHOYDLD-UHFFFAOYSA-N 439.673 4.857 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1749085442 BOKBFEALCSFOMC-AQNXPRMDSA-N 445.405 4.876 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CC=CCC1 1749132645 BMEXDODVWXWNMA-GLDPYIMESA-N 442.554 4.921 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OC(C)C)CC1 1749218209 HWXGYFSUHOPGRT-UHFFFAOYSA-N 448.995 4.594 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1749225210 CEQVPRHBRSBAFN-OIBXWCBGSA-N 440.588 4.709 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cc1F 1749473331 FLWYSOFJNKMSNJ-UHFFFAOYSA-N 425.302 4.718 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CCCCC1)N(C)C 1749474025 IWASELVPACZINO-FQEVSTJZSA-N 432.012 4.740 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1749576369 KCECIGJAVWGPHG-URXFXBBRSA-N 438.616 4.897 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1C1CC1 1760237286 DFRJGZHYWSNZOE-HSZRJFAPSA-N 449.643 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCC 1760296170 NRBFPNBPEGBSSP-RCZVLFRGSA-N 440.035 4.779 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(C)c1ccccc1 1760299436 UVGWAZUDXKUUTB-TXJANDSUSA-N 449.643 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)C/C(C)=C\c1ccccc1 1760325051 NVHSPVOPBSTPEZ-ZAZOFKEJSA-N 443.595 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1CCN1CCCC(C)(C)C1 1760340957 UFEDSTBEABLUQE-UHFFFAOYSA-N 425.621 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1760411384 KSORGANDWOAAMC-IBGZPJMESA-N 429.653 4.917 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@H](C)N1CCC(C)CC1 1760477879 NPJJYHRPJZNLDW-NRFANRHFSA-N 425.621 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1760478800 SAEMPOBCAHCBJW-RTWAWAEBSA-N 434.632 4.760 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C)C1)C(C)C 1760488076 LERYSSDAGFDWMI-SIKLNZKXSA-N 444.023 4.522 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1760514233 YKBZCPUALYKFAW-GIVPXCGWSA-N 437.588 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)C(F)(F)F)C1 1760545254 QQNNESPMAWBBAE-MRXNPFEDSA-N 447.505 4.807 30 10 IJEE CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1762366464 AFXMDDGOTPHHNW-IBGZPJMESA-N 427.568 4.993 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1cccnc1)C(C)C 1768878364 GXMGKEAHDDIQHE-GJZUVCINSA-N 444.583 4.919 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)SC1=Nc1nnc(C)s1 1772736887 JZRQUFMBZQLUKY-AHDBMNBVSA-N 444.582 4.824 30 10 IJEE COc1ccc(-c2csc(NC(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)n2)cc1 1860766878 BAJJENGLBMOABL-UHFFFAOYSA-N 440.550 4.627 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1862218014 AAAACYXGSTXUIA-JOCHJYFZSA-N 446.657 4.582 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862453979 MPVHJAIZMYERSO-OAQYLSRUSA-N 441.911 4.900 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccccc2Cl)c1 1862491463 UKPXTCKRLINRIE-QFIPXVFZSA-N 440.971 4.877 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862506548 QCTIWNPFNYOLSD-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(O)cc1 1862529923 LKDUAVBPVAYADU-QHCPKHFHSA-N 437.536 4.740 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(F)c2)cc1 1862590272 FOOFSAYVWOTIRG-CMJOXMDJSA-N 447.462 4.879 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc2ccccc12 1862592433 CSIFDXVIPBDPNO-XMMPIXPASA-N 445.515 4.939 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2cccs2)c1 1862596554 IQZKCQLKPKWQMC-JOCHJYFZSA-N 449.528 4.673 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862690590 BZMNRHQMBKBPBO-DEOSSOPVSA-N 438.483 4.955 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)CCCN2C 1862720772 DNQOHIUSAXQVJQ-RUZDIDTESA-N 438.527 4.987 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862735990 DWZGYPYZZFIXEL-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863469699 VPBQNCOYBDHNKG-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(O)c3cc(Cl)cc(Cl)c3n2)nc1C 1866538558 WRBTYRMZRZVIRR-UHFFFAOYSA-N 438.292 4.607 30 10 IJEE CSCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1cccc(C#N)c1 1867002252 YPNIDQXBHVGDTP-SFTDATJTSA-N 441.984 4.582 30 10 IJEE Cc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1870137505 PFGHOYNAPVFHGL-UHFFFAOYSA-N 443.894 4.932 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1Cl 1870140908 PTBBUBAPALHVAZ-XVNBXDOJSA-N 448.697 4.760 30 10 IJEE C#CCOc1cn(Cc2ccc(O)cc2)c(CSc2nc3ccccc3s2)cc1=O 1870302581 VJMUHPQPRBRYCV-UHFFFAOYSA-N 434.542 4.516 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccccc2)cn1Cc1ccccc1C 1870600020 YJCQWFBRCPGNRX-UHFFFAOYSA-N 444.575 4.837 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccc(OC)cc2)cn1Cc1ccccc1 1870604485 NDHAQDMUHFDTQL-UHFFFAOYSA-N 444.575 4.701 30 10 IJEE C=CCn1cc(OCCO)c(=O)cc1CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 1870789641 JUANWGHMLXZSIR-UHFFFAOYSA-N 447.560 4.603 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(Cl)cc2C)cc1=O 1871006495 JCRKGDDOXRZMHW-UHFFFAOYSA-N 436.939 4.686 30 10 IJEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(OC)cc1C 1871085540 YAFJEHREADHDHF-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE CCN(CC)c1ccc(NS(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 1871281323 KDUGUCOEECVHQV-UHFFFAOYSA-N 430.917 4.514 30 10 IJEE C[C@@H](NS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1C#N)C12CC3CC(CC(C3)C1)C2 1871287039 MGUMQNPULZLDID-ZHHULCEESA-N 445.972 4.750 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)o1 1871435941 HKGMSAUHWJFZIN-OLIBUNOHSA-N 428.444 4.790 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871460801 FSUZQMAYBPWXHX-KQWNVCNZSA-N 436.552 4.705 30 10 IJEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763868 XTBNQMWPZFWRIG-INIZCTEOSA-N 442.294 4.900 30 10 IJEE CCc1cccc(C)c1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872767822 AUCDRASHEMKDHD-PMACEKPBSA-N 429.545 4.910 30 10 IJEE C=CCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2c(Cl)cccc2Cl)C1=O 1873289184 ACQNLXNVRJVBNM-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(N3CCC(C)CC3)ncnc21 1873644410 OOAIPRIIKMLZTN-UHFFFAOYSA-N 448.527 4.577 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4O)ccc3C2=O)c2ccccc21 1873859352 LDNDFCZMNGMRLH-MSXFZWOLSA-N 440.455 4.518 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1C 1874210359 ROMSTJDQTBBGMT-MNVTYAKESA-N 445.592 4.653 30 10 IJEE CCOc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCCO)cc1 1874271341 QMTCRYNCIAOXFM-NLRVBDNBSA-N 446.576 4.778 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1c(F)cccc1Cl 1874275207 ZFKYQVDFAKQWCV-QVOODPNWSA-N 449.983 4.735 30 10 IJEE CCCCOc1ccc(/C=N/n2c(COc3ccccc3)nnc2SC)cc1OC 1874382296 IKALNPWMOQCZLQ-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE Cc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCC(=O)OCC(C)C)cc1 1874390243 CFBGKENCIPUDEA-AFUMVMLFSA-N 436.581 4.659 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(F)c2)cc1 1874483977 XPZVTQRPEBPQTM-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)C)cc(OC)c1OC 1874509289 VFWOIGYOQKMLBQ-ZMOGYAJESA-N 440.569 4.910 30 10 IJEE Clc1ccccc1CSc1nnc(C2CC2)n1/N=C/c1ccc2c(c1)OCCO2 1874519582 AIZATGSKHGFNFQ-FSJBWODESA-N 426.929 4.755 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc(Br)c2)c1OCCCO 1874575816 IECXXBXZHJVTMB-VOTSOKGWSA-N 425.706 4.768 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1 1874581073 VIQKTIKRCJGHME-BUHFOSPRSA-N 445.515 4.604 30 10 IJEE CCCNC(=O)COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC 1874598063 RUTYFLMSXOCQEB-DHZHZOJOSA-N 439.552 4.802 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCCO)c(OCC)c2)cc1OCCC 1874612899 RAANJVMBXKRGJA-JXMROGBWSA-N 428.525 4.930 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1874614342 MFDOEQFKARYQRO-BJMVGYQFSA-N 447.871 4.875 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1875135815 ISKXIUJGGYVRPD-WLRTZDKTSA-N 445.427 4.944 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)c1 1875144616 IXRHXFXPXDFSDQ-VMPITWQZSA-N 439.445 4.789 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2ccc(OCc4ccccc4)cc2)C3)OC1(C)C 1879734173 YWSZPIRLCPDNAP-RLWLMLJZSA-N 433.357 4.964 30 10 IJEE Cc1c(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)sc2ccc(Cl)cc12 1890974734 JMCMLSGHOLJUIV-UHFFFAOYSA-N 446.981 4.967 30 10 IJEE C=CCC1([C@H](NC)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 1894895882 SVUBSAYOJPHYJC-MRXNPFEDSA-N 431.321 4.801 30 10 IJEE CCCCCCC[C@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1917156792 XPRJLNWIPOFODV-XZOQPEGZSA-N 425.525 4.700 30 10 IJEE O=C(Nc1cc(Br)c(Br)c(Br)c1)C1(CS)CC1 1946432501 KSBAYEPWVYDENP-UHFFFAOYSA-N 443.986 4.623 30 10 IJEE C#CC[C@@H]1CCCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984725880 QQHAGDUDVRZCRD-FQRUVTKNSA-N 444.575 4.954 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)O1 2018523869 XRWQHESHBJHQBV-BDTNDASRSA-N 432.605 4.588 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2038661371 IOXHLDZMQUFMSB-UIOOFZCWSA-N 439.600 4.884 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079853286 DWMUPWJDNDFWTM-INIZCTEOSA-N 435.309 4.665 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083810621 MTMJRNNQQRKSMZ-AREMUKBSSA-N 443.584 4.793 30 10 IJEE C=CCN(CC[C@H](Cc1cccc(F)c1Br)NCC)C(=O)OC(C)(C)C 2099288949 WBVIXFSNMIYZTN-MRXNPFEDSA-N 429.374 4.922 30 10 IJEE C[C@@H]1C[C@@H](C)N(c2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2118157450 WPFMXYSWFXGNRH-CHWSQXEVSA-N 426.330 4.684 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNc1cc(Br)cc(F)c1C#N 2139858273 MPBFVAJKJXXVAM-INIZCTEOSA-N 426.330 4.907 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 2159128824 WLKUCNPLSNBZBR-RTBURBONSA-N 441.385 4.806 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)cnc2C#N)cc1 2167617637 MCQXJASMCHMWDV-CYBMUJFWSA-N 431.334 4.914 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@](C)(C2CC2)C1 2174810480 MZHPDQBECPIAOD-FQEVSTJZSA-N 438.341 4.686 30 10 IJEE C=C([C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221673237 NFUTYZHWTNTMHM-IRXDYDNUSA-N 428.443 4.679 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2224139597 MQZMBYQPJDQMTD-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(F)cc1Br 2225596247 PZVLPTBJIQHEBQ-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)(C(=O)C#Cc2ccccc2Br)CC1 2235716867 HTPWLCPAOXCGSG-UHFFFAOYSA-N 438.337 4.747 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 2235730923 PNYXCZPLLFXBJW-QWFCFKBJSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@H](O)C#Cc2ccccc2Br)C1 2235740644 QBTBQKBUCUJUNX-IEBWSBKVSA-N 436.390 4.835 30 10 IJEE C[C@H](C[C@H](O)C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235741043 AWVNKURWQPVUDN-BHIYHBOVSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](O)C#Cc3ccccc3Br)CCC[C@H]12 2235742056 WOLQRIHBAYBOKM-CNNODRBYSA-N 434.374 4.731 30 10 IJEE Brc1sc(C#CC[C@@H]2CCCN2)c(Br)c1Br 2244546029 FYPWOUMSNTYBPB-SSDOTTSWSA-N 427.987 4.529 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)CC(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2247928468 CZPRTZDZMOGQEG-UHFFFAOYSA-N 439.308 4.560 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2251929725 GWDJHTVCIYBHKB-QFIPXVFZSA-N 427.497 4.949 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2258090183 IPSZMPXOEMHHTL-OBYFODJCSA-N 448.568 4.900 30 10 IJEE C=CCCC1([C@H](N)Cc2cc(F)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266315800 QUJAJDHIGAYVHF-QGZVFWFLSA-N 427.358 4.661 30 10 IJEE C[C@H](Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1)c1ccccc1NC(=O)OC(C)(C)C 2266708922 RESWYORYFMJUQI-INIZCTEOSA-N 440.349 4.868 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2266989876 KLFWPYSVRHXWFX-UHFFFAOYSA-N 444.381 4.691 30 10 IJEE CC1(C)OB([C@H]2C[C@H](C(=O)N[C@@H]3CCN(Cc4ccccc4)C4(CCC4)C3)C2)OC1(C)C 2267563533 PACHDKPWBDBOJN-YPAWHYETSA-N 438.421 4.562 30 10 IJEE C=CC[C@@]1(COc2ccc(Br)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C1 2287761164 UCFCXSFTJZNIHO-LJQANCHMSA-N 441.322 4.939 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@H](N)CC#CC1CCCC1 2289848435 VLZJVWQSEVUNNS-WOJBJXKFSA-N 435.406 4.796 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296219245 MFYGEBFNPOYUKG-RBUKOAKNSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301437978 SJOFOYPSEGMGCL-ZLNRFVROSA-N 428.617 4.904 30 10 IJEE COc1ccc(N=C2NC(=O)C(=C(C)c3ccc(Br)cc3)S2)c(OC)c1 2314557444 GYSYCXCYDHBBNA-UHFFFAOYSA-N 433.327 4.748 30 10 IJEE CC#CCCCC[S@](=N)(=O)c1cc(I)ccc1Br 2316462838 MEARQWXHMANUFK-SFHVURJKSA-N 440.144 4.653 30 10 IJEE CC(C)[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317349182 YFQBTMBKBUORLV-GOSISDBHSA-N 432.370 4.654 30 10 IJEE C[C@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2317355284 VAJKFZQUUMMJPP-ABDJAZHISA-N 432.370 4.751 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1N=Cc1ccc(C(F)(F)F)cc1 2321141508 YBBSDSXCFROXGC-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)C(=Cc1ccncc1)O2 2323231641 XJKNDXONPBIMFS-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCC(=O)OCC(C)C 2323504007 CIIVHZMESUHYCN-UHFFFAOYSA-N 438.520 4.906 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(OC)c2)cc1 2323936951 OTOCARCFVLOVTN-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)c4ccc(NC(C)=O)cc4)ccc3C2=O)c1 2325234957 HWCFYBYTQXYMNJ-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325517722 KKDUPHWVAPWHSJ-UHFFFAOYSA-N 429.477 4.548 30 10 IJEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2325669054 RGCDJXOHSHDTRO-UHFFFAOYSA-N 428.326 4.848 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1cc(OC)ccc1OC 2325733716 LXGAPDRUWASBJQ-QHCPKHFHSA-N 444.616 4.965 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O 2325743339 VEGMUCLUKKTSAI-UHFFFAOYSA-N 444.325 4.621 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1OC(C)C 2327880801 KHHRARKSNUBVNV-GOSISDBHSA-N 443.617 4.564 30 10 IJEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cc(Cl)ccc1O 2328652369 JRAGOMZLTQCNFP-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE C=CCNC(=O)Oc1ccc(CNC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1 2329013199 WIWBGXSZKKFJIH-UHFFFAOYSA-N 442.515 4.870 30 10 IJEE CCSc1nnc(CCOc2ccccc2)n1N=Cc1cc(Br)ccc1F 2329177630 LAMPZIDXDVWBMK-UHFFFAOYSA-N 449.349 4.795 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)c1 2330800385 GRWAOPOZLDZWOZ-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 2331138265 XLFOYBYLWVYNMH-UHFFFAOYSA-N 440.834 4.823 30 10 IJEE Fc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc3c(c2)OCCO3)cc1 2331175760 OKSHKVDYAMTAPS-UHFFFAOYSA-N 436.468 4.623 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(F)c2)c1 2331377170 SLDMSMQHPYRQNI-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C(C)(C)C)c1 2331382665 TZOUIHMAMMDJFZ-UHFFFAOYSA-N 437.569 4.506 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OC)c2)c(OC)c1 2331729146 CERAKEZHRLMIAS-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)n1 2337021191 AEYJGJVEOHKUOM-FYYLOGMGSA-N 436.405 4.509 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585778 UQOOCFOEYZPWNF-XZQKKESVSA-N 443.397 4.832 30 10 IJEE Cc1scc(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c1Br 2343489572 XNDPPVZQZHBFBE-XIKOKIGWSA-N 426.185 4.517 30 10 IJEE N#Cc1cc(NCc2ccc(I)c(Br)c2)ccc1F 2349827113 WPOSXHPPKKRJNW-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])c(C#N)n2)ccc1Br 2370352860 IJTSDJUIOITRGP-UHFFFAOYSA-N 435.234 4.763 30 10 IJEE CC[C@](C)(COCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)C(F)F 2377289544 DHSZFDPHEZXMFD-LJQANCHMSA-N 433.142 4.946 30 10 IJEE COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccc(F)cc3)nn21 9597404 QQSRXADGIYAPKS-NRFANRHFSA-N 436.512 4.740 30 10 IJEE COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1OC 15224212 FUZAFQYOSQBOQA-RBZQAINGSA-N 441.531 4.720 30 10 IJEE COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(C)cc3)nc3c2CN(C)CC3)cc1 40569952 MMXHZPUAKRAPGA-UHFFFAOYSA-N 443.572 4.900 30 10 IJEE CCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccccc3)cnn21 64874225 LTHDHYGPINJZDV-HSZRJFAPSA-N 428.492 4.556 30 10 IJEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1scc(-c2ccc(C(C)C)cc2)c1C(=O)OCC 71555299 URAQIOPFFOYXJA-HNNXBMFYSA-N 449.594 4.643 30 10 IJEE COc1ccc(/C=C\C(=O)c2nn(C)cc2Cl)cc1COc1cc(C)ccc1[N+](=O)[O-] 97414772 TYIGPPALDDVINS-YVMONPNESA-N 441.871 4.774 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(OC)c(OCC)c2)C1=O 101432506 DMIVPIGQHMSLGX-XMHGGMMESA-N 425.506 4.638 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(N(C)C)cc1 169952784 JGZPYIPQYRFPIG-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccn1 169991400 PNOZDACKSHYUBK-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C 170057045 AVJLEUDKMZIMPL-OAQYLSRUSA-N 427.928 4.960 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)cc1 170059480 FEEFFIVGUJVMIF-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2C)c1 170086304 JEEMDGSEFLXHFC-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccco2)cc1Cl 170092374 JGLGIZUACRWPSX-QGZVFWFLSA-N 444.896 4.798 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(C)o1 170100384 BIEVALUBIMMBLB-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccn1 170179474 XOBQDBXOWSFGGF-HXUWFJFHSA-N 440.927 4.963 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCOC(C)C)[C@@H]3c3ccccc3)oc12 170233750 LXRVESIEVVCEJL-JOCHJYFZSA-N 449.503 4.835 30 10 IJEE Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 399672429 MIROLUQSYHPZGR-RPBOFIJWSA-N 446.444 4.533 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(OC)c(Br)c1OC 407571167 KQHCRBOCBURAQX-RHSMWYFYSA-N 443.382 4.586 30 10 IJEE N#CC1CCC(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 441132614 FWIZBGOLQCBBDI-UIHNDYOGSA-N 429.564 4.613 30 10 IJEE FC(F)n1ccnc1CN1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469447471 CKXCZOIRYSPIJB-ZDUSSCGKSA-N 429.311 4.889 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)NCC[C@H]2COc3ccccc3O2)cc1 482986520 SNYPYRWZXTXPBL-QFIPXVFZSA-N 443.503 4.683 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@@H]2C(F)F)nnc1-c1ccc(Cl)cc1 500651529 HPOKDGHJBXYXLR-OAHLLOKOSA-N 426.920 4.523 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 508933160 WTYKTGAJKRZQHC-GOSISDBHSA-N 448.502 4.914 30 10 IJEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(SCc3ccco3)C2=O)c1C 526667392 XVXBQJLVLSIPAW-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)c(O)c2)c1 526809184 XFNFIOSVZXAKJU-MYYYXRDXSA-N 430.533 4.763 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1Br 535881258 VDECAUOPRYIBTN-UHFFFAOYSA-N 442.235 4.628 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@]2(CCCOC2)C1 555289709 YSOPHHCNAHFSLI-NLFFAJNJSA-N 440.588 4.790 30 10 IJEE C=CCC[C@H](NC(=O)C(=O)NCc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1 555956768 DGVJOJYNKIQXSO-NRFANRHFSA-N 441.453 4.694 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 570305361 JODPGDFCTQJMFK-UHFFFAOYSA-N 447.558 4.676 30 10 IJEE CCc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 586227554 GQBITYJGRKBBMF-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE N#Cc1c(NC(=O)C[S@@](=O)Cc2c(Cl)ccc(Cl)c2Cl)sc2c1CCC2 586345085 CVEULTPLBXFAAN-SANMLTNESA-N 447.796 4.956 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccccc2)C1 619820529 FJMCPHPQTICCAP-QFIPXVFZSA-N 436.357 4.886 30 10 IJEE CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCc2c(Cl)cc(F)cc2C1 687751369 LHFRDYHLTARKKN-UHFFFAOYSA-N 427.904 4.653 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@]1(C#N)CCOc2ccc(Br)cc21 698963342 XOMIGPOQWIGLAY-GOSISDBHSA-N 436.310 4.888 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1OC 700617112 VGZGIMUPTGWYTQ-KRWDZBQOSA-N 440.382 4.601 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 729562733 BYARLTVNZANNOY-GHTZIAJQSA-N 429.561 4.895 30 10 IJEE CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3cc(Cl)ccc3OCC#N)C2=O)cc1 735231401 VLKZKLOOOAHLEJ-QHCPKHFHSA-N 425.916 4.507 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnn(-c2cc(C)ccc2C)c1C 772550290 GEHPYQSYFOUCAR-OAQYLSRUSA-N 428.536 4.884 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc(Cl)c(CCC)c2)n1 788582926 KZWACVCYEXTHCP-UHFFFAOYSA-N 433.990 4.658 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 792275575 MMGCSINGHCRWPY-UHFFFAOYSA-N 425.495 4.511 30 10 IJEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 792747468 KDOWMXMOFJFJLX-PZJWPPBQSA-N 437.540 4.815 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 796888168 KSCXGXQUSVPBJF-FOIQADDNSA-N 429.501 4.776 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1cccc(C)c1 809893709 RXTWMDZPDPMOGS-QFIPXVFZSA-N 431.540 4.540 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 1125540115 UXDJEMJJJGKOKF-UHFFFAOYSA-N 434.901 4.591 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(-c3sc(CC(N)=O)cc3Br)cc2)CC1 1126517085 DDZWRVPOYINYCF-UHFFFAOYSA-N 433.371 4.890 30 10 IJEE Cc1nsc(N(C)C(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1C#N 1129710977 FWUQNKOSVCPMPI-LBPRGKRZSA-N 432.958 4.916 30 10 IJEE C=CCC1(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCCC1 1136903809 MNZTUAHICDASGW-OAQYLSRUSA-N 429.605 4.961 30 10 IJEE C#CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1)c1ccccc1 1137622569 QSIKJPAESGMIMQ-QHCPKHFHSA-N 432.545 4.599 30 10 IJEE O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H](O)c1ccccc1C(F)(F)F 1138768573 AMIMXJLLCJQOQJ-HNNXBMFYSA-N 425.300 4.848 30 10 IJEE C#C[C@@H](C)N(C)C(=O)CN(CCCCC)C(=O)OCC1c2ccccc2-c2ccccc21 1139511010 KPLOFDPAOGPUJW-HXUWFJFHSA-N 432.564 4.908 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O 1140504769 CQEGFPIAIWPZJE-UHFFFAOYSA-N 434.544 4.539 30 10 IJEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1-c1cccc(Cl)c1 1153857515 FFLRWXOFNSKUCI-RDJZCZTQSA-N 445.972 4.866 30 10 IJEE CCCc1c(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cnn1-c1cccc(C#N)c1 1154625771 GYDPNSPVIDJXNS-RTBURBONSA-N 443.551 4.562 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1cnc(-c2ccccc2)nc1 1164610775 AUROMEMBSPPSEH-UHFFFAOYSA-N 433.512 4.932 30 10 IJEE C=CCn1c(SCC(=O)N[C@]23CCCC[C@H]2C3)nnc1-c1ccc(Cl)cc1Cl 1171404133 YWEBOZRTRBGLPS-RBZFPXEDSA-N 437.396 4.979 30 10 IJEE C#CCN(c1cc(SC)nc(SC)n1)[C@H]1CCOc2ccc(Br)cc21 1185386801 HOBXDPCXWTUCEI-AWEZNQCLSA-N 436.400 4.646 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C 1199048238 IBANMQQTDDLKLY-HNNXBMFYSA-N 430.911 4.881 30 10 IJEE C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C(F)(F)F)no1 1201226079 GWCYRQJLMVWDQE-JTQLQIEISA-N 435.337 4.774 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](OC(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1 1224641444 KHVSWBVKKJHSNP-ZWKOTPCHSA-N 427.467 4.585 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)COc3ccc(Cl)cc3C3CCCCC3)n2)cc1 1265539410 HRUQKDCORKGFTB-UHFFFAOYSA-N 449.942 4.917 30 10 IJEE COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 1266136202 HVHCRBJOYKYSJS-HXUWFJFHSA-N 429.545 4.727 30 10 IJEE COC(=O)c1cccc2nc(NC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)[nH]c12 1266467178 HWUSQTVDXJIYJZ-UHFFFAOYSA-N 446.850 4.919 30 10 IJEE COc1ccc(C[C@@H](C)CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 1267130361 APMMXYFCZLXIFH-LJQANCHMSA-N 444.531 4.763 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccnc(OC2CCCCC2)c1 1286303055 IBPURUSTGIFFFR-SFHVURJKSA-N 435.597 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC)CCC1 1286528595 HMGFKHFWAQMJNT-YADARESESA-N 441.620 4.923 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286557518 IZFAFPAENIXRML-YYTDSSBASA-N 426.580 4.790 30 10 IJEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286632390 IFNCBKRLJMHGHX-QFBILLFUSA-N 441.790 4.938 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCCN2CCCC[C@@H]2C)CC1 1286650008 UGMMEVBCYIAOEL-NRFANRHFSA-N 441.595 4.807 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1nnc(C)s1)C1CC1 1286739023 MNUGBZMZEQEZOK-UHFFFAOYSA-N 433.006 4.587 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1ccncc1Cl 1286747176 KGOIOARKKYMJLP-UHFFFAOYSA-N 434.906 4.769 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1)C(C)C 1286751849 UGYPSYISKOKTRX-OALUTQOASA-N 427.559 4.879 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CCOCC2)C1 1286827530 RORBMHSZHFUIOR-UHFFFAOYSA-N 436.984 4.664 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1Cc2ccc(Br)cc2C1 1286832754 NYKHUBFLXJIXKW-GOSISDBHSA-N 449.418 4.722 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 1287277038 ICPOKZGDANZFMG-AQNXPRMDSA-N 447.505 4.972 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1 1300305321 ZJGZEKILXFOXSJ-RBBKRZOGSA-N 449.599 4.564 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1300423868 XGVLDUWEGRNXPL-UXHICEINSA-N 431.005 4.785 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCC1CCC(OC)CC1 1300642668 MAVZIADMMKSWSA-UHFFFAOYSA-N 449.574 4.658 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC1CC1 1300980278 NMUKIMGQQPYRLT-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301141396 MJELHIWGBKLZFZ-UHFFFAOYSA-N 439.604 4.913 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC(F)(F)C1)C1CC1 1301334301 GXKNHGUTGCSAGB-KRWDZBQOSA-N 437.535 4.550 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1CC 1301405395 FBZSURBEYDQNIF-OAQYLSRUSA-N 439.991 4.911 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)C1 1301554009 WMFFIJGCCFWYTQ-RBBKRZOGSA-N 435.547 4.700 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1301595421 TWXYGPMJNPHXAM-BBWFWOEESA-N 437.009 4.604 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1301602070 MBHWTQFXKBBOMO-RTBURBONSA-N 443.979 4.855 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1301620192 CPIKURCUPXOQJO-OALUTQOASA-N 444.645 4.687 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 1304463365 HUMPTIVPRULFFV-ROUUACIJSA-N 432.494 4.757 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccccc1 1309807682 VKUPMTKJRFWPLT-MRXNPFEDSA-N 439.331 4.733 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCCC1(C)C 1311575058 DJDBARDLUHYCMQ-WIYYLYMNSA-N 435.634 4.554 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1312601783 CZTCCLJBMNWBHL-DFQSSKMNSA-N 443.316 4.613 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Br)cnc1Br 1351263638 OWJTVLWNEJQKDD-UHFFFAOYSA-N 428.099 4.574 30 10 IJEE C#Cc1cncc(C(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)c1 1352314726 PNNDMZURANQTMF-QFIPXVFZSA-N 442.500 4.898 30 10 IJEE C=CCN(C(=O)[C@H]1CCc2cc(C)ccc2O1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352765115 VZDYCYIUDFXGME-OAQYLSRUSA-N 435.505 4.940 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)cc1 1354556338 NOGZDRCCZFGTJU-VWLOTQADSA-N 427.500 4.873 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1357663040 LCOCCIFKJHHEMR-QFIPXVFZSA-N 445.951 4.718 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(C3CC3)[nH]c2C2CC2)c(C(=O)OCC)c1C 1357817716 QISKRLUQWSNDCJ-UHFFFAOYSA-N 442.537 4.911 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(OC)cnc2ccccc12 1358208978 VNYVQTHTEXIIOJ-UHFFFAOYSA-N 429.289 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnc(C)s1 1358872743 YJKJUNXPZLRFNN-HOTGVXAUSA-N 444.004 4.959 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](OC)C1 1359129161 SVXHLAMFACOGIU-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1359162440 QNAPJRGCCLQXNF-WOJBJXKFSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359185696 FRVXUVYKKMIJIS-UHFFFAOYSA-N 433.556 4.522 30 10 IJEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1359197591 TWMGGAURJVPFOT-UHFFFAOYSA-N 435.494 4.526 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1359217344 WRPSKCRFLPMTSA-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1cc(Cl)ccn1 1359223498 MQTNPMNOQDDUNW-UHFFFAOYSA-N 437.931 4.969 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359223631 QXNGXKGDKGQQOW-QFIPXVFZSA-N 426.605 4.884 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCC(F)(F)C1 1359258107 GOWJTXQMAJQMON-PMACEKPBSA-N 443.542 4.637 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2noc3c2COCC3)n1CCCC(C)(C)C 1359277808 WHOGRSYLYYRZTF-UHFFFAOYSA-N 439.560 4.660 30 10 IJEE COc1ccc(Oc2ccc(C(=O)Nc3c(C)c(C#N)nn3-c3ccccc3)nc2)cc1 1436520550 HTUHWOJCQHMPCE-UHFFFAOYSA-N 425.448 4.501 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1453879910 BSKLZFROFBQHEF-SVMVAKDDSA-N 449.389 4.899 30 10 IJEE C=CCc1cc(C(=O)N2CCc3c(F)cc(Br)cc3C2)cc(OC)c1OC 1457788813 JKPKIYYDYOGNBM-UHFFFAOYSA-N 434.305 4.532 30 10 IJEE N[C@@](C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)(c1cccc(F)c1)C(F)(F)F 1457817281 FWMQTQWTYKOOAJ-MRXNPFEDSA-N 444.734 4.775 30 10 IJEE Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccccc3C(C)(C)C#N)CC2)c(Cl)c1 1459615153 GJWPPERQMQNMTH-LJQANCHMSA-N 439.987 4.561 30 10 IJEE C#C[C@@H](NC(=O)c1c(F)ccc(C)c1Br)c1ccc(Br)cc1 1460783097 BJNYNQKBVUSJID-CQSZACIVSA-N 425.095 4.763 30 10 IJEE C#CCC1(NC(=O)C/C(=C/c2cccc(OC)c2)c2nc3ccccc3s2)CCOCC1 1462838411 HKFNKUHTBNAZNR-SILNSSARSA-N 446.572 4.924 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)c1ccccc1 1463376336 SLRNSARLHFCIEO-CRYYWNKWSA-N 432.489 4.575 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)c1ccccc1 1467089133 GIBUIHCXOQVDGK-BGOLNKOXSA-N 442.585 4.620 30 10 IJEE CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 1469755879 FQJGKVZNPZHXJC-GLDPYIMESA-N 448.567 4.842 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)[C@@H]1CCCO1 1469869334 YIAHPHFUESJMCD-RPBOFIJWSA-N 434.580 4.903 30 10 IJEE C=CC[C@@H](NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O)c1ccncc1 1472513545 RPBBIDPHQDFQJF-OAHLLOKOSA-N 437.714 4.980 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCO[C@H](c3ccc(C#N)cc3)C2)cs1 1473839174 UKSLUOGCVXOYSF-DEOSSOPVSA-N 446.576 4.890 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)N1CCc2ccccc21 1476728643 IMKNUEKNOGFMBQ-HNNXBMFYSA-N 430.346 4.587 30 10 IJEE C=CCC[C@H](NC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 1477409142 MCRLSFMYDVGLPI-ZWOKBUDYSA-N 441.538 4.900 30 10 IJEE C#CCN(C(=O)N[C@H]1CCc2c(C)cccc21)[C@H]1CCOc2ccc(Br)cc21 1477828396 NVMFBRYQZHZXHN-SFTDATJTSA-N 439.353 4.913 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCC(F)(F)C1 1504444206 ARQHQKRLUIZDNG-JKSUJKDBSA-N 435.544 4.610 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1507570399 NZWWNVCDUKRRLE-DHIUTWEWSA-N 433.600 4.724 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](C)C1 1507571335 XIWYVAJLYRFXNL-LJQANCHMSA-N 426.630 4.900 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC(C)(C)C1 1507681845 DEBIZQDWELCZPH-UHFFFAOYSA-N 439.673 4.857 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCC[C@H]1CC 1507710543 QFVPMIMEAICENO-TZIWHRDSSA-N 433.556 4.512 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1507747512 DGZUFTQLCZBTIP-GOSISDBHSA-N 436.959 4.837 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1507859755 CNABDCKKOQZTFY-QFIPXVFZSA-N 429.952 4.623 30 10 IJEE C=C(Cl)Cn1c(N(C)C/C(C)=C/c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 1507874206 HJMSSZNIJJXIET-HKRNCWMRSA-N 430.980 4.611 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(C)C)C1 1507934734 IZFXXAGPTQRXNR-QFIPXVFZSA-N 437.636 4.681 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@H](c1cccs1)N(C)C 1507997110 ORBFHTGSDXCBFN-NRFANRHFSA-N 434.613 4.830 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1c(C)nn(C)c1C 1508048739 OBPAOXDFZGWPRH-GOSISDBHSA-N 442.995 4.861 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccco1 1508151925 HIWGVZHOGAYVAD-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccsc1Br 1508575098 AIFAHXDDGPKWBD-LJQANCHMSA-N 436.423 4.869 30 10 IJEE C=CC[C@H](CC)NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 1519718267 GOBZNXBPUFAUJI-CYSDGLOUSA-N 436.552 4.659 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(N3CCNC3=O)ccc2Cl)c1 1520376936 CKCYWAXXHOMORJ-UHFFFAOYSA-N 435.936 4.759 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(Cl)cnc2Br)CCCN1C(=O)OC(C)(C)C 1525625934 WUCBLLCZERAHAP-SFHVURJKSA-N 444.757 4.782 30 10 IJEE COC(=O)c1ccccc1CCC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 1526362734 FUHSRZNOCNVBHS-UHFFFAOYSA-N 430.479 4.958 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C 1529419018 MNAIPUUHIZFPST-IBGZPJMESA-N 427.314 4.873 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c1 1530326283 HHVKOOKCZRUULQ-SFTDATJTSA-N 428.363 4.749 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC1 1537357002 OWDIQFNQHTYNFN-MQMHXKEQSA-N 429.364 4.832 30 10 IJEE CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1537929428 HMFYSKNZFIOPCY-QFIPXVFZSA-N 449.551 4.609 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccncc1Cl 1538977243 UNXXPKXZJOBOQL-OAHLLOKOSA-N 448.983 4.932 30 10 IJEE C[C@@](Cc1cccc(Br)c1)(NC(=O)COc1ccc(C#N)cc1)c1ccccc1 1539082088 HITVVJGMJKJUGM-DEOSSOPVSA-N 449.348 4.974 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1C[C@H](C)O[C@@H](C)C1 1539350778 YOQJINCSUJIASI-BZSNNMDCSA-N 426.630 4.795 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1539597173 TYTMNYHQXVNXQL-ZIAGYGMSSA-N 441.320 4.556 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 1539599859 GWFPMWPZGZYXOL-UHFFFAOYSA-N 445.258 4.615 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)CCOc1cccc(C)c1 1539602840 AMTHITPBHWFMGO-UHFFFAOYSA-N 447.402 4.663 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC=CCC1 1539614528 AGGZYUUTQZDEDU-UEXGIBASSA-N 428.964 4.819 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]1CSC 1539693382 IHYMYLMHGDCMHI-HNNXBMFYSA-N 437.407 4.624 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1539892383 ZWJPWNUOOPPMMS-UHFFFAOYSA-N 445.464 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1539925946 FKOBUHZVZIKPNG-FYYLOGMGSA-N 448.615 4.708 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1539926707 RXIFMKRODLGHPU-QFIPXVFZSA-N 447.583 4.821 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1539938908 CQSRIPQQEHLRGH-PZJWPPBQSA-N 435.597 4.595 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1)c1ccccc1 1539946538 BQSRWRCMNWDQLP-GOTSBHOMSA-N 449.643 4.818 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1539953000 NFBBLNKCEJOSKN-UHFFFAOYSA-N 439.947 4.510 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1539960192 YYFLWFQDVYDLOJ-UHFFFAOYSA-N 430.600 4.797 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1539966227 HDUNCKPAWUYPHP-UHFFFAOYSA-N 429.653 4.842 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H](C)c1c(C)noc1C 1540195870 KXLMTUCVQAENHW-HNNXBMFYSA-N 429.952 4.646 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)CCS1 1544753833 AWYQKSLLBGYUJO-FUHWJXTLSA-N 431.556 4.974 30 10 IJEE COc1ccc(/C=N\N=C2/S/C(=C\c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 1554646130 JXWGRTZWFOLTGI-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)c1 1558713167 DUKTUISNRGVKOB-FQEVSTJZSA-N 442.357 4.795 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cccc(F)c2F)n(-c2ccc(F)cc2)c1C 1559702850 FFKIXNCANXQUAJ-AWEZNQCLSA-N 426.442 4.672 30 10 IJEE C#CC[C@H]1CCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 1562385071 WZVKOOQRTFWEMT-KRWDZBQOSA-N 429.442 4.513 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(C#N)cc1I 1563274366 MSBCDCFKJWOAPH-UHFFFAOYSA-N 447.276 4.705 30 10 IJEE CC(=O)c1cccc(O[C@H](C)C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 1585000489 DTFWLRBCCRHZJO-SECBINFHSA-N 438.295 4.975 30 10 IJEE CC(C)Oc1cccc([C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1585055753 HJYNXFOUVLAPSF-MAUKXSAKSA-N 426.900 4.656 30 10 IJEE CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1586245647 CLHIGNGNMBVMPS-OAQYLSRUSA-N 432.351 4.617 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)CCCN1C(=O)OC(C)(C)C 1586853367 FOSKWWMELNQXJB-AFMDSPMNSA-N 449.551 4.844 30 10 IJEE CSc1nc(O)c(C(=O)N(Cc2ccc3[nH]ccc3c2)Cc2cccs2)cc1C#N 1587384017 ZPVJTRWUQWDYKK-UHFFFAOYSA-N 434.546 4.766 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1nc(C)c(C)s1 1587561113 BCRDJCDAUNXDGV-HOCLYGCPSA-N 444.004 4.845 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1cccc(C)c1 1587575237 RKGHHHKAPNSGCH-HZPDHXFCSA-N 426.362 4.606 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H](C)CN1CCCC1 1589625626 KCPTZUMFVPEYPH-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCC=CO2)CC1 1594218848 VPKZCAPQAPQTRD-NRFANRHFSA-N 438.572 4.836 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1)c1ccccc1 1594544137 HETPKEGXUHYQNB-FCHUYYIVSA-N 439.604 4.551 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccnc2)n1Cc1nnc(C(C)(C)C)s1 1594560106 WPCUWUCBJHFUEU-UHFFFAOYSA-N 425.606 4.720 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C(CC)CC)N(C)C 1594895188 GYJKPPKIZRHHGH-IBGZPJMESA-N 434.426 4.696 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1595866508 NKKNKMBKBPAQIM-LJQANCHMSA-N 447.967 4.563 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1595896116 UZYPXEAIWJTLTD-IBGZPJMESA-N 428.646 4.864 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1 1616818091 PDTMJUWMRRYQNL-GDLZYMKVSA-N 439.558 4.514 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(Br)cc1 1623286070 VRYSGRQSBPJFEN-CQSZACIVSA-N 442.191 4.872 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 1624550784 FTDIUZJKNSAACM-IBGZPJMESA-N 436.955 4.520 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3c[nH]c4c(CC)cccc34)CC2)c1 1625288046 NGVOERDZEANZSY-UHFFFAOYSA-N 448.588 4.547 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3Cc4ccccc4N(C(=O)OC(C)(C)C)C3)cc21 1627746235 CYVMGULUMVPHDQ-HXUWFJFHSA-N 447.539 4.710 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)cc1 1628324441 FVCYYGQSWHMJQI-RUZDIDTESA-N 427.573 4.736 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1 1628900279 CSBVLKDWEXOCGM-INIZCTEOSA-N 431.895 4.856 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCOc2cc(Br)ccc2C1)c1ccc(F)c(F)c1 1634435437 NJLXGVBYYGXEGG-IBGZPJMESA-N 437.284 4.949 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Cc2cccc(OC)c2)CC1)c1ccc(Br)cc1 1636562765 OLRMWSHUSJSTDZ-QFIPXVFZSA-N 441.369 4.796 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2cc(N3CCNC3=O)ccc2F)cc1 1636679299 FDNNAHTWEBVPSE-UHFFFAOYSA-N 432.480 4.630 30 10 IJEE CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2CCOc2cccc(C#N)c2)cc1 1642861590 FUBIDBOCAKTGHC-DEOSSOPVSA-N 435.568 4.793 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3cccc(F)c3)C2)n(Cc2ccccc2)c1C 1645450218 FQEYWQNLBRBWRE-JOCHJYFZSA-N 430.527 4.592 30 10 IJEE C=CCCn1cc(CN[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)nn1 1656556039 GLGJFZPTIBTWCP-ZDUSSCGKSA-N 432.391 4.899 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1OC 1658195679 RQGUXQRJWNVIRO-MRXNPFEDSA-N 442.394 4.726 30 10 IJEE C=CCOc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1 1661092252 WWINFHOHZYYTHS-IBGZPJMESA-N 437.945 4.654 30 10 IJEE C[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1ccc(F)cc1 1661806443 DOZKAJAGVXJTDN-JTQLQIEISA-N 445.356 4.609 30 10 IJEE C=CCCCCCCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1661884053 WJDVJKBCQMCLCY-UHFFFAOYSA-N 429.405 4.987 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C)c(I)c1)c1ccccc1 1662962055 XUVBWQVOHLUSMU-GOSISDBHSA-N 441.334 4.585 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 1665774326 KRROZEXCMVDDJU-IRXDYDNUSA-N 440.401 4.654 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 1675014773 QTUBDBVRUZXVDB-UHFFFAOYSA-N 427.476 4.549 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1678262672 IDQAULDKHHUOMD-HXUWFJFHSA-N 445.510 4.976 30 10 IJEE CC(C)[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 1679256926 HKIMLJONPOYOGP-NRFANRHFSA-N 430.474 4.806 30 10 IJEE C#Cc1ccc(NC(=O)NCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c(Cl)c1 1680873435 XJUDMWRGBKNZRQ-UHFFFAOYSA-N 434.805 4.798 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)CC)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1690058765 ARICCFHOSYYBPU-GOSISDBHSA-N 425.577 4.841 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1Cc1nc(C(C)(C)C)cs1 1690211233 WBYHDMARJDQLPR-RUZDIDTESA-N 433.625 4.858 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1690236367 LXYIMNUIXRZFHQ-IIPCHUTBSA-N 446.542 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1690272713 LLEKZIYTLLFOBK-PWRODBHTSA-N 440.636 4.682 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 1690300697 IKVNOJBUXJWTCE-OALUTQOASA-N 448.995 4.506 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)CN(C)C)CC1 1690398818 HKZLFNUNKGXINK-SFHVURJKSA-N 429.584 4.547 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1690412486 STAXRXCWSKWSTK-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690439395 DTXWQNQDACJAQG-QRVBRYPASA-N 431.625 4.887 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1690455987 QSSAZFFJFZXAOM-IYBDPMFKSA-N 449.393 4.686 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC1CC1 1690463276 YPODJVSOSSVGTJ-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC(F)(F)C1 1690556295 SGLQBPKTXTULQW-SFHVURJKSA-N 427.499 4.910 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1c(C)noc1C 1690601302 XKPDUKDEMAPIST-OZOXKJRCSA-N 427.593 4.784 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2CCCO2)CC1 1690752854 SSUSTQHUWTYOKF-NJDAHSKKSA-N 448.677 4.511 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2Cc2ccsc2Br)C1 1692851248 CYXFCHCPZUNIRO-LJQANCHMSA-N 434.407 4.938 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1705499419 RDTHEHRQAQOWBN-LJQANCHMSA-N 433.600 4.646 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1705593251 LNXRPRXAHPUQEN-IRXDYDNUSA-N 435.881 4.750 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C[C@H]1CC=CCC1 1705653678 MYJKOYFRJMBRPG-OALUTQOASA-N 428.577 4.716 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1705654634 OHNCSDQBFWZCRF-VQIMIIECSA-N 445.430 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CCCC 1705704263 RPBXXGSEKNJBAQ-REWPJTCUSA-N 434.588 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C)C1 1705704669 XZYWHANJOOBNFZ-ZWOKBUDYSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1705795660 ORYNDZPUOASYDO-CYBMUJFWSA-N 429.512 4.844 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@](C)(CC)C1 1705813065 UWYNXGUJLIHTMU-OAQYLSRUSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705813353 DVLGHEACZKVPAE-QGZVFWFLSA-N 433.959 4.589 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1csc([C@@H](C)OC)n1 1705836892 JVNIRXXDRLQMRN-LSDHHAIUSA-N 443.642 4.966 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCCCCC2)nc1 1705874543 PROXDARIRUZOJS-JOCHJYFZSA-N 436.604 4.522 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1711008946 DLHXNDKCOWRNEX-UHFFFAOYSA-N 443.020 4.756 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(C)CCOCC1 1722282270 YDXBCFALVBWEFN-IBGZPJMESA-N 431.584 4.627 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1scnc1C 1722328180 NPISXAJFWDMQCY-UHFFFAOYSA-N 436.404 4.584 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722333832 OUCGDYOQPLKJOC-IBGZPJMESA-N 443.636 4.678 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(Br)s1 1722451717 NBGMGPGLSQLUKM-ZDUSSCGKSA-N 427.437 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)C1CC1 1722503386 STWNWNZVDHMXFL-IBGZPJMESA-N 433.394 4.843 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cccc(C)c1 1722523367 PPOKNDOAIIZYIX-UHFFFAOYSA-N 439.604 4.914 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1722555217 YKZPHIHGZPDJIJ-UHFFFAOYSA-N 437.931 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722589110 KYUSEDSBUIBCFP-HXUWFJFHSA-N 443.661 4.521 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722596769 ADGNBISPPCAQET-LJQANCHMSA-N 437.544 4.763 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1Cc1cnn(CC(C)C)c1C 1722659390 VAZYDMOKKIDKNB-UHFFFAOYSA-N 447.562 4.814 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CSCCS1 1722688369 AAOQNPIPQWUABF-FQEVSTJZSA-N 430.643 4.501 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](CC)C1 1722733270 YRIMEMWYZDSRRU-VQIMIIECSA-N 436.622 4.808 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2ncccc2c1 1723777546 GHXKTFMRQPBADQ-UCNVEGJOSA-N 432.572 4.532 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C 1726596313 BIDKTMMSQRGYIY-HOTGVXAUSA-N 440.473 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 1740535886 WEZZRGNTQHLBGT-GHTZIAJQSA-N 447.549 4.552 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1740588097 IBWFLGNZKKXYOF-FQEVSTJZSA-N 442.991 4.566 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 1740785598 OZSSKWKIEKRUAQ-UHFFFAOYSA-N 429.996 4.541 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CC(F)(F)C1 1740789010 BMSFDZLPJISDHG-UHFFFAOYSA-N 440.922 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)c2ccccn2)CC1 1740836112 GLFFAEIXOJGTGW-UHFFFAOYSA-N 447.583 4.738 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCCN(C2CCCC2)CC1 1740862894 IAKAUWUALCBRLU-UHFFFAOYSA-N 425.596 4.819 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H](C)CC)n1Cc1cccc2c1OCCCO2 1740935038 ZUXWOCDHZDITMH-IBGZPJMESA-N 436.556 4.829 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(C)cc(C)cc2C)C1 1740974735 HQMABAYYIOBXBJ-HXUWFJFHSA-N 437.975 4.748 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC(F)F)c(F)c2)C1 1741987608 GHVNDLKGTAWIND-HSZRJFAPSA-N 447.505 4.930 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1748714456 ITNPFTXJWGTEHL-UNMCSNQZSA-N 438.572 4.682 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1748735459 UOPLXICLTAFAOQ-OAHLLOKOSA-N 444.992 4.845 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C2CC2)C1 1749085703 CXRHUBCIVRYALC-GOEBONIOSA-N 435.341 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(C)ccc1F 1749133502 MLMIAKIMWJENFM-CVDCTZTESA-N 440.588 4.996 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1F 1749232266 IGNASOJHLSPESG-INIZCTEOSA-N 429.565 4.563 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749396662 CYNPXYXDLWSPHL-RBUKOAKNSA-N 444.649 4.609 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749438262 TVKSJXXLVQPLSW-QFBILLFUSA-N 438.494 4.542 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CCC(OC)CC1 1749501471 AFABMJXMDBHTAL-UHFFFAOYSA-N 439.387 4.991 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCSC1(C)C)C1CC1 1749512172 UQYLSNPTOSHAIS-KRWDZBQOSA-N 428.602 4.649 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)cc1C 1749591597 WNDBRJCARYKAOH-NRFANRHFSA-N 438.547 4.690 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccc(C)s1 1749756004 QADWTAWBQCHXHG-HXUWFJFHSA-N 442.610 4.716 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C2CCCC2)c1 1751745514 DRHXTPOAADMGFQ-UHFFFAOYSA-N 434.613 4.698 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(OC2CCCC2)nc1 1760109049 PTDFUOYXDKQXBC-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](CC(C)C)N(C)C 1760126050 XGIHTWDEBKJIAW-PKOBYXMFSA-N 434.053 4.658 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760131138 OUWNXAWGMIVBPZ-DFQSSKMNSA-N 434.506 4.780 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1c(C)noc1C 1760195070 WEMBFZNVMGKZOM-AVRDEDQJSA-N 445.567 4.516 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1sccc1C 1760242584 INDXSCUEXMIGOO-HXUWFJFHSA-N 438.597 4.539 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1760298443 IHBNILGAWMJIBU-RZPFDVGOSA-N 436.600 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCOC 1760315945 KOZUIUDMFJPUHW-HNAYVOBHSA-N 447.004 4.877 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)C1 1760318760 POPGTSVSUAZWTM-KHYOSLBOSA-N 449.368 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(CC)C1 1760330233 WEMGAWCEWOUOCD-VXKWHMMOSA-N 425.621 4.779 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1760344826 KOZFJRDCQVTBGP-RTBURBONSA-N 434.588 4.524 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CSCCS1 1760467205 VSSPVCMCAPAKEY-LJQANCHMSA-N 432.659 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccc(F)c(Cl)c1 1760487327 PLQGTSYFJLJKKO-INIZCTEOSA-N 432.952 4.877 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)Cc1cccs1 1760690379 CFFQMGQIQDYHBO-RTBURBONSA-N 445.596 4.667 30 10 IJEE CC(C)CC(=O)Nc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 1860138050 HLTOSYATJSQUIK-HNNXBMFYSA-N 425.554 4.747 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861826009 OKYTXAOXXJBTJL-KRWDZBQOSA-N 443.997 4.576 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1862100564 PFWYFUJXEWDOOQ-NRFANRHFSA-N 430.552 4.501 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862417577 USOBKSYFWHPCDH-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F 1862419644 VDXWEJRKTLYMIM-HXUWFJFHSA-N 442.418 4.784 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478958 VKVPHRIPTQGEQN-AQKFKSFVSA-N 433.504 4.850 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3c(c2)OCCO3)c1 1862494885 QHDQBCLCOQWSDD-QHCPKHFHSA-N 433.504 4.596 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862547625 ZBXZHPMANBPOKA-NYHFZMIOSA-N 434.492 4.850 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862559354 MKVZDVOFWBYIPS-JOCHJYFZSA-N 448.544 4.550 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1c(F)cccc1Cl 1862573597 GOSXOXWZZYDKLO-MPBGBICISA-N 447.890 4.873 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(Cl)cccc1Cl 1862743746 FYUUKLBIDOAHOQ-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Br)cc3)C(=O)N(c3ccccc3)C2=O)cc1 1862820632 IYNQUEIQINJSCL-UHFFFAOYSA-N 444.288 4.717 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(F)cc2F)C1=O 1862952927 DIBMEWVFEIIDMI-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)c(C)c2)C1=O 1863085469 PIGVTADIALAFJK-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(F)cc2)C1=O 1863507314 JQQRGQHHISTXQM-UHFFFAOYSA-N 431.596 4.588 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCC(O)CC1 1870342400 SUMRWMQVKJBYQB-UHFFFAOYSA-N 444.591 4.884 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1ccncc1 1870488770 RXJUEWALKFEYSD-UHFFFAOYSA-N 429.564 4.661 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1CCCCN1CCCC1 1870630949 PBLPMCBMIHGCNA-UHFFFAOYSA-N 449.639 4.786 30 10 IJEE C=CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870810457 DDJRDMYKJQOPSV-MRXNPFEDSA-N 442.865 4.876 30 10 IJEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870811817 IFOSGAJKWHYMDS-UHFFFAOYSA-N 429.992 4.863 30 10 IJEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871062671 KNRHYTKUKGIIDV-UHFFFAOYSA-N 433.527 4.965 30 10 IJEE COc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)cc1 1871253907 KXWVLSSFTAUSCN-UHFFFAOYSA-N 441.487 4.561 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1OC 1871367358 HUDUXERJRRSTDZ-HMAPJEAMSA-N 434.444 4.760 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871419677 NKARNHDGENKKHB-UUYOSTAYSA-N 433.891 4.960 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=C(C)C)C3=O)c1 1871420377 UEWCFHMBQDYTQQ-UHFFFAOYSA-N 437.492 4.838 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871719559 FRIVJCPKVIELHQ-RTBURBONSA-N 426.609 4.997 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 1871804562 JVRDCHQCAQMACK-INIZCTEOSA-N 440.487 4.608 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(=O)(=O)CCC 1871948292 WUPNMXKFYPUBIP-IBGZPJMESA-N 441.380 4.901 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872088675 XOGJZGKIGCPJJI-YCRPNKLZSA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)cc1 1872102366 SKFMRVBLXBOYSO-HSZRJFAPSA-N 439.581 4.851 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CC 1872165276 NYJRPVRSNDHNBL-JOCHJYFZSA-N 438.634 4.981 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872479705 RKOBVMJZUKURKM-OAQYLSRUSA-N 434.989 4.887 30 10 IJEE COc1cccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1873219791 DBWQAOGSGAYSFJ-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc3cc[nH]c3c1)n2CC(C)C 1873656772 LSHHZORBVVRMCW-UHFFFAOYSA-N 428.540 4.999 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SC)cc1OC 1874369800 RRSCXRRCVBYSHG-PXLXIMEGSA-N 430.599 4.916 30 10 IJEE Cc1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1 1874415554 WEAMKUGYCNVJRA-YZSQISJMSA-N 441.560 4.790 30 10 IJEE CCCNC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874438951 CHGFGLRBZFVAFP-FOKLQQMPSA-N 442.416 4.674 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)ccc1O 1874461422 MQNIRDBKQQWYTQ-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1 1894965515 BFDSNDACKYTYBB-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 1903081017 FHTQZHISPPXISL-KUHUBIRLSA-N 435.487 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](C)(O)c1cccc(NC(=O)OC(C)(C)C)c1 1922078362 WDYHAILRSPGBPO-BVAGGSTKSA-N 440.584 4.992 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(F)cc1I 1922088609 IZJIVITYYKXLHY-IBGZPJMESA-N 425.285 4.854 30 10 IJEE N#Cc1ccccc1[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1951436786 AIKPKJSPVBXHQN-SFHVURJKSA-N 426.472 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(c3cc(Br)c(C#N)cc3F)CC[C@H]21 1965590651 QOCQHHOYERNXHG-CXAGYDPISA-N 438.341 4.686 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@H]1CCC[C@](C#N)(NC2CC2)C1)Cc1ccccc1 2034740130 UNQUBCULLGACLX-XCZPVHLTSA-N 430.640 4.825 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NC 2041201051 PJMBHBDXAYVBFH-HZPDHXFCSA-N 429.786 4.540 30 10 IJEE Cn1cnc(Cl)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2054878221 BERUYQDRRGVEQU-CYBMUJFWSA-N 425.714 4.842 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074134492 QNZGLFJRCLPYDI-ATIYNZHBSA-N 444.616 4.552 30 10 IJEE CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2118199430 SAARYOZFTBXNAX-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cc(F)c1C#N 2174767605 LQFITMRXNWDBLY-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE CN(C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)c1ccccc1C#N 2181045005 DXRVLAZSFPJZLH-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CCCc1ccc(C#C[C@@H](NC)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223316228 OYIZENSJQZFSRF-RPBOFIJWSA-N 436.596 4.689 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)C#Cc1ccccc1Br 2235719648 BCRAFFWJXHXASE-MSOLQXFVSA-N 434.374 4.899 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](N)C#Cc1ccccc1Br)C1CCCCC1 2235727002 JRDPUHOSPRERRA-UYAOXDASSA-N 435.406 4.992 30 10 IJEE C[C@@H](C#N)C1CCN(C(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CC1 2236700029 MIUKVFJNKUHRIY-ZDUSSCGKSA-N 436.350 4.808 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255778116 NTFKAHGNIMVGJE-UHFFFAOYSA-N 425.353 4.813 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@@H]43)CCC2)OC1(C)C 2255797688 KDVQYOCFQMNSBJ-JSXRDJHFSA-N 425.378 4.503 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1snc(C)c1NC(=O)OC(C)(C)C 2278801372 OIFORPQRKWOGKD-HNNXBMFYSA-N 436.375 4.873 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 2296132810 LHZKGAQBJXYDDG-NRFANRHFSA-N 436.439 4.537 30 10 IJEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 2296303793 GDWJARULZAIOIO-IBGZPJMESA-N 428.326 4.979 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccs1 2297743060 BAYFQVNZRNABPR-OAQYLSRUSA-N 443.565 4.550 30 10 IJEE CCC1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2317346440 IIYUGSJUBJZYHQ-OUKQBFOZSA-N 430.354 4.505 30 10 IJEE CCc1ccc(C=CC(=O)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2323150923 YIWHIEXOWWDXRJ-UHFFFAOYSA-N 438.571 4.765 30 10 IJEE Cc1cc(O)c(CN(CCO)Cc2ccccc2)c2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324010060 XEVLBCYFNSESLV-UHFFFAOYSA-N 449.934 4.965 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 2324979318 JDVJKOPVACDYEJ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4nnc(CC)s4)ccc3C2=O)cc1 2325441830 HUJMEJLIORHEOF-AWEZNQCLSA-N 449.532 4.685 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1c[nH]c2ccccc12 2326750028 VNKYWKHVXAAPHI-UHFFFAOYSA-N 447.564 4.918 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(O)c(O)c1 2327365915 DTQHOIHFZWGKMA-UHFFFAOYSA-N 438.553 4.771 30 10 IJEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccccn2)c1 2328724662 JHMGVADAQFDFDO-UHFFFAOYSA-N 447.539 4.998 30 10 IJEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330018254 ZBAXVWIYCRICLX-UHFFFAOYSA-N 440.569 4.587 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccncc2)c1 2330531805 OYTORCJUTFBTOX-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc(O)c1 2330651394 QNMSPJJFJBSRSL-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)[C@H]1CCCO1 2330658655 JAGSFZBIXCKVCG-JOCHJYFZSA-N 432.472 4.838 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc(C(=O)O)cc1 2330849592 TWUFYHLXUJNWMV-UHFFFAOYSA-N 426.517 4.879 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(C)cc1 2330906260 ZMZXGDVXXQTSFH-NRFANRHFSA-N 449.580 4.613 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)ccc1O 2331115829 KVIXMVOCLDDTCM-UHFFFAOYSA-N 440.422 4.715 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1 2331167800 WVOUYOLYQBUINH-UHFFFAOYSA-N 432.505 4.808 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cccc(F)c1 2331325249 BOUXEFSQQWWZTR-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C(C)(C)C 2331411674 AUQYAWUHMUSSRS-GOSISDBHSA-N 435.597 4.736 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2)cc1 2331687279 HSWZEOJLNUHFHB-UHFFFAOYSA-N 427.961 4.976 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2331711612 JJFLEANFPMHZOS-INIZCTEOSA-N 441.988 4.907 30 10 IJEE Oc1ccc(Br)cc1C=Nn1c(SCc2ccc(F)cc2)nnc1C1CC1 2331727284 VCNWWWBHCUDUCK-UHFFFAOYSA-N 447.333 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@H]21 2339578432 GZEDJITUAOGPKP-CYFPXLQQSA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342468853 FWLVVNHUPIBQBT-QHCPKHFHSA-N 448.344 4.871 30 10 IJEE Cc1cc(F)c(Br)cc1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368435408 QXMQWQXCRSHBQI-IBGZPJMESA-N 426.135 4.595 30 10 IJEE C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1ccc(C)cc1 33764905 HCYWBMKQOIRFSR-UHFFFAOYSA-N 448.592 4.961 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 35566823 OMSABKOROAXCOY-IBGZPJMESA-N 442.581 4.672 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(OC)c1 40098307 RYQHAIJQQAXGON-OAQYLSRUSA-N 435.476 4.828 30 10 IJEE Cc1cc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)ccc1Cl 40522892 LCCKXZLGFYJRIO-OAHLLOKOSA-N 428.916 4.851 30 10 IJEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1 59892365 HFOOHVHTQVPSBY-WYMPLXKRSA-N 444.483 4.658 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)nnc1-c1cccc(C)c1 97493724 LCDSXZSHQCDHLW-JOCHJYFZSA-N 448.592 4.904 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12 102515155 RHVYBLOTRIPGQI-VFJWVMJUSA-N 435.907 4.951 30 10 IJEE CCN1C(=S)N[C@H](c2ccc(OC)c(OC)c2Cl)C(C(=O)c2ccccc2)=C1C 169931620 NYDXVNYLRAJCLR-LJQANCHMSA-N 430.957 4.765 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(OC)c2)c1 169931829 ULVMBEPWEVBOCA-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968506 OTHKVSQGXQYLKV-QFIPXVFZSA-N 449.409 4.785 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)s1 170006530 SSBOUYZUFIADJG-SFHVURJKSA-N 439.924 4.900 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(C(C)C)cc1 170066242 CLKQUPIWPMOCCC-XMMPIXPASA-N 449.547 4.748 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 170080335 FSCJEVYWQZPQBX-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2sccc2C)c1 170104913 VGAQTUOQKMPDRB-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OC)c1OC 170127251 RUFDKFPNWOILND-JOCHJYFZSA-N 435.520 4.571 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccs2)cc1 170157753 OABZDYWFXQPHJQ-NRFANRHFSA-N 435.501 4.857 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)c1 170200650 ISNJIKTYLLYQCN-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)c1 170218719 MBMULQJUFHFDEH-NRFANRHFSA-N 436.464 4.514 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)ccc1Cl 170279595 MZEDWHBTRBHDSE-SFHVURJKSA-N 429.881 4.782 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCCOC(C)C)o1 170310454 MFNCZNAZRXEXCY-QFIPXVFZSA-N 441.524 4.769 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 170415011 GOENQKPVYMYENO-OAQYLSRUSA-N 425.525 4.971 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC)c(OCc2ccccc2)c1 170439045 KLWISDOTWPQZCW-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE O=[N+]([O-])c1cccc(/C=C/C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 254381327 PFXRQINBSSZYDY-IUPYGPEWSA-N 433.380 4.941 30 10 IJEE COc1ccc(/C=C2\SC(=Nc3ccccc3)N(NC(=O)c3ccccc3)C2=O)cc1 254501329 QPUDMCWUDKUKGW-SNSRFIGSSA-N 429.501 4.644 30 10 IJEE CCc1ccc2[nH]c3nc(NN=Cc4ccc(-c5ccccc5[N+](=O)[O-])o4)nnc3c2c1 254819784 QXTSOUZGIZNFKM-UHFFFAOYSA-N 427.424 4.683 30 10 IJEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 254904827 GEXKOSWMYQTGGF-QFIPXVFZSA-N 429.545 4.890 30 10 IJEE C=CCn1c(SC[C@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1cccc(OC)c1 443406099 LNZFQGKKKRKGRE-QGZVFWFLSA-N 449.498 4.854 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 444997750 LSTHGKUAUDFPRP-UHFFFAOYSA-N 431.458 4.791 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 483135938 BQCFJFMVMCTFPJ-HSZRJFAPSA-N 433.458 4.780 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 508737579 AJYDBMCPAUUQBN-MRXNPFEDSA-N 427.549 4.585 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2ccsc2)C1 508816479 IYRIUAGHEXHHDE-KRWDZBQOSA-N 431.359 4.533 30 10 IJEE C=CCn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(F)(F)Oc1ccccc1 508832063 ITXYSRQESMUNQR-UHFFFAOYSA-N 438.478 4.692 30 10 IJEE COc1ccc([C@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490753 PEUQOWMHGHVLLQ-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)c(O)c2)cc1 526605691 YXTHVPNREDIYPI-XMMPIXPASA-N 442.471 4.815 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)c1 526744866 ZJQUYBNYMJRUIF-JOCHJYFZSA-N 445.446 4.785 30 10 IJEE N#C[C@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2Cc2ccccc2)CCO1 549154845 MCHZCHDQDNRSBK-INIZCTEOSA-N 435.940 4.590 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 549213388 BJRYRYDJVYNEOR-LJQANCHMSA-N 438.551 4.555 30 10 IJEE Cc1ccccc1OCCCC[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 586348420 LYXMBDDEWVFMNX-XHDOVSQSSA-N 444.622 4.599 30 10 IJEE CC(C)N(Cc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1)C[C@@H]1CCCCO1 611622070 PUWJRAOVIICDKN-QHCPKHFHSA-N 438.547 4.799 30 10 IJEE C=CCn1c(C)nnc1SCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 645075397 UWCCGOLWNPITQO-UHFFFAOYSA-N 427.599 4.924 30 10 IJEE C=C1CCC(C[C@H](NN)c2ccc(I)c(Br)c2)CC1 724589737 JAHXQDYKKBQHGF-HNNXBMFYSA-N 435.147 4.695 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)CC/C=C\c2ccccc2)n(Cc2ccco2)c1C 738684247 ICOCWLDBMBIEKK-WDZFZDKYSA-N 431.492 4.593 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)c1=S 742162038 LMNXCPPZQNKXIY-XMSQKQJNSA-N 438.572 4.749 30 10 IJEE C#CCCCNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 742790308 ASOGZZHYDAIXOH-UHFFFAOYSA-N 431.483 4.725 30 10 IJEE C=C(C)[C@H](CC(=O)OC[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)OCC 756564132 YWPVBPFNCPUHRE-MMOPVJDHSA-N 427.463 4.529 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)n1 788588632 MUEZDSNTDAVDNC-UHFFFAOYSA-N 438.915 4.643 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCC2(CCCCCC2)C1 800784703 RNFDHDCGODNGBB-UHFFFAOYSA-N 437.588 4.831 30 10 IJEE CCC(=NNc1nc(SCCC(=O)Nc2ccccc2Cl)n[nH]1)c1ccccc1 1084041809 CGEBIOLRTMCXCB-UHFFFAOYSA-N 428.949 4.805 30 10 IJEE N#CC1(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)CCCCCC1 1087091206 FVRUPAPAGUDMBE-UHFFFAOYSA-N 445.592 4.683 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)cc1 1125467335 RCOMHIWEEUOHSO-GCOVDLRRSA-N 438.568 4.587 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1coc(-c2ccnc(C)c2)n1 1125735921 LUPXASIEQIZWIG-UHFFFAOYSA-N 430.277 4.775 30 10 IJEE CC(C)COc1ccc(C2(C(=O)Nc3ccc(Br)c(C#N)n3)CCC2)cc1 1130035929 CJXNCMBDWYCZEZ-UHFFFAOYSA-N 428.330 4.811 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCc2cc(Cl)cc(Br)c2C1 1134104311 QTFXOWLDHLQFCC-UHFFFAOYSA-N 436.733 4.874 30 10 IJEE COc1ccc([C@H](Cc2ccc(F)cc2)NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 1168800247 AENSRPYOMMXUFW-QFIPXVFZSA-N 437.902 4.871 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1188361259 AFXMXLMCQODYEK-HNNXBMFYSA-N 432.261 4.511 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCc2cccnc2-n2cccn2)cc1 1205351150 AWYSUACXRCKBQL-UHFFFAOYSA-N 426.505 4.612 30 10 IJEE CC(C)CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@H](C)C1=O 1214832542 HBBZZVAAEKSUOB-MRXNPFEDSA-N 440.931 4.725 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H]3COc3ccc(F)cc3)n2)c(Cl)c1 1216110017 GRBCNOWLJJVMRV-KRWDZBQOSA-N 439.878 4.612 30 10 IJEE C=CCN(CCC#N)C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1217095942 OCECLICLWWHGST-UHFFFAOYSA-N 426.439 4.664 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(C2(C)OCCO2)cc1 1219086692 KPYAOUGSDSFLBO-UHFFFAOYSA-N 447.329 4.555 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)C1 1220569831 QLTHOTSNLOBLOJ-HSZRJFAPSA-N 432.612 4.507 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)[C@@H]1CCCc2ccccc21 1221213431 TXITWHHSNHZDKH-CLJLJLNGSA-N 445.607 4.945 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 1264399296 VWDBJEVCWCAVOM-UHFFFAOYSA-N 430.533 4.834 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1266808533 BBVCUGXRWGXELH-PLWJUESGSA-N 429.192 4.725 30 10 IJEE Cc1cc([C@H]2CCCN2C(=O)c2ccn(-c3cccc(C#N)c3)n2)ccc1Br 1270575019 APBMOFWEKANAHY-OAQYLSRUSA-N 435.325 4.792 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccsc1)N(CC)CC 1286371146 FSWJZWAZBWXMDN-HXUWFJFHSA-N 428.005 4.813 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C1CCC1 1286510444 SJJJSPZZPOEQAJ-FQEVSTJZSA-N 431.005 4.646 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1[C@H]2CCC[C@H]12 1286536852 STRKVBAKZQXFCX-KKUMJFAQSA-N 435.341 4.701 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1286648496 KENMZMACAYIPBO-FQEVSTJZSA-N 425.602 4.763 30 10 IJEE C=CCCCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1286691705 OHYZXRWGALYCFL-UHFFFAOYSA-N 449.643 4.799 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1286696165 VPHMWNUHTZQJTN-LJQANCHMSA-N 427.936 4.738 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2)CC1 1286703391 ADHPEYDXBPMOBU-UHFFFAOYSA-N 444.023 4.931 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1 1286746777 AHTQVNKIUKXKKK-UHFFFAOYSA-N 432.597 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@@H]1CC 1300273457 FLEMTDODMFNJKK-ZVDOUQERSA-N 444.023 4.794 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1300384769 VDTXTAWQGDQNLM-HOYKHHGWSA-N 428.552 4.612 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](SC)C1 1300399351 JBEOETDQMZWYPV-MRXNPFEDSA-N 433.419 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](CC)N1CCCC1 1300563589 LEGGMMYJJVIDHE-JOCHJYFZSA-N 449.668 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CCc1cc(Br)ccc1F 1300779985 JVIFNYYYXMPXTQ-OAQYLSRUSA-N 433.369 4.712 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC2(CCC2)C[C@H]1CC 1300857467 VDKOZINUHRGNQN-GOSISDBHSA-N 445.405 4.967 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1300963297 RSWOSBPOQAJAAO-DHIUTWEWSA-N 437.632 4.832 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](OCC)C1 1300974923 PPTMCSASWRKCRF-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1301027518 SOMXTAUZKQFOSD-UHFFFAOYSA-N 443.382 4.983 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C#N)o2)CC1 1301106180 QXOQMIPRNADRHR-MRXNPFEDSA-N 437.931 4.987 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@H]1C 1301373534 XTCLCLAHJNMBLL-STSQHVNTSA-N 430.980 4.801 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1)c1ccccc1 1306539420 NSZTWBRNDCJFJH-CQSZACIVSA-N 443.288 4.980 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](CC(C)C)c2ccccc2OCC(C)C)c1 1307617413 ROVSNUWHFQYGMP-HSZRJFAPSA-N 435.568 4.728 30 10 IJEE C#CCN(C(=O)N[C@@](C)(CC)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1311266829 AXJFXPVTJIYUPC-YOEHRIQHSA-N 433.268 4.649 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1312128391 GCKDJWVCOKFPJH-DEOSSOPVSA-N 440.609 4.788 30 10 IJEE C#C[C@@H](NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1312936335 HFOVYUYHBUFPLS-MSOLQXFVSA-N 429.706 4.883 30 10 IJEE COc1ccc(C[C@H](C)N(C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 1319315607 NDTYVQBWKRGPFE-SFHVURJKSA-N 448.567 4.518 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 1350208399 FTHMVWBNLAUHDX-UHFFFAOYSA-N 435.427 4.905 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C)c1ccc2c(c1)OCCO2 1350584671 ZELWSAICUAJNEW-FCHUYYIVSA-N 449.547 4.807 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)cc1Cl 1350879497 AGMPADFMNIENPT-NSHDSACASA-N 442.224 4.875 30 10 IJEE C=CCCn1cc(C(=O)Nc2cc(-c3ccc(CCC)cc3)nn2-c2ccccc2)nn1 1353066228 RCUXQTNVDCVCNK-UHFFFAOYSA-N 426.524 4.912 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1353124212 IQSKEZBHWSSQAY-HSZRJFAPSA-N 447.963 4.751 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 1354037949 FBUIENDTQPTOBA-LJQANCHMSA-N 444.506 4.900 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1 1357326689 IHXZVGZHIPFYOR-UHFFFAOYSA-N 434.927 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C2CC2)ccc1F 1358875353 OCGUVDMZHFOCMH-ZDUSSCGKSA-N 442.336 4.558 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1C[C@@H](C)O[C@H](C)C1 1358877025 VVUSJOYZZIAZQI-RRFJBIMHSA-N 449.368 4.508 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1358933380 RNOUVALHLRMQRY-NOZRDPDXSA-N 433.644 4.568 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cc(COC(C)(C)C)on1 1358941877 AOJYGUVYYVTEQZ-UHFFFAOYSA-N 435.572 4.663 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(Cl)cc1F 1358998606 LBBWOPOTIVDHHP-TZIWHRDSSA-N 442.966 4.500 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)CN1CCCC1 1359066572 GTKLDIXXFFGKDC-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CC)Cc1ccc2c(c1)OCO2 1359098766 FREPBMRLOQLXIK-XXBNENTESA-N 440.588 4.603 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(C)(C)C 1359150821 HIFCAEOGBHDWQR-UHFFFAOYSA-N 426.005 4.627 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C 1359257058 XZNXWWJRJWADMX-ATIYNZHBSA-N 449.599 4.525 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@@](C)(O)c1ccsc1 1359926838 DJNAQYWUQUCHHP-HSZRJFAPSA-N 441.576 4.820 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cc(-c3ccco3)nn2-c2cc(C)cc(C)c2)cc1C#N 1360585153 UUYXXVFEEUZHGA-UHFFFAOYSA-N 445.504 4.696 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1 1443859496 YQBKURVHLNYMOA-ROUUACIJSA-N 444.494 4.759 30 10 IJEE C=CC[C@@]1(C(=O)NCCn2ccc3cc(Cl)ccc32)CCCN1C(=O)OC(C)(C)C 1459970273 DTXIJHKFTWOJOP-QHCPKHFHSA-N 431.964 4.757 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 1461526973 BWOPFEYSCAXMBG-UNMCSNQZSA-N 432.630 4.589 30 10 IJEE CC(C)(C)c1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc(C(C)(C)C)c1O 1463593586 HJYXRORGFSLDBS-UHFFFAOYSA-N 433.596 4.817 30 10 IJEE C=CC[C@]1(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCCN1C(=O)OC(C)(C)C 1465448284 LMPOUHCNYZUMJL-HSZRJFAPSA-N 431.964 4.826 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(I)ccc2Cl)cc1 1465883291 PQRKZGPBZJJFST-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C#CC[C@H](NC(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC)c1ccccc1 1466379463 MQLBUKUKKYQYDY-IBGZPJMESA-N 438.478 4.998 30 10 IJEE C#CCCCNC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1467614238 NTQXPGWEJMLQNN-LJQANCHMSA-N 436.408 4.867 30 10 IJEE C#CCN(C(=O)NCCc1ccc(CC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1468930940 ASINJTLQADSOAP-OAQYLSRUSA-N 441.369 4.723 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccccc2-n2ccc(C)n2)cc1OC 1474066105 NFKWGVQSJRIGRG-UHFFFAOYSA-N 442.357 4.806 30 10 IJEE C#CCN(C(=O)N[C@@H](C)CCc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1477263072 VYUCLEDXEWABDA-UWJYYQICSA-N 441.369 4.939 30 10 IJEE C=CCCC1(CNC(=O)NCc2nc(-c3cccc(Br)c3)no2)CCCC1 1478579897 LWFKPHLSAYAJML-UHFFFAOYSA-N 433.350 4.825 30 10 IJEE N#CCCN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1CC1CCC(F)(F)CC1 1505324920 HEBOKEFYXBKLRI-UHFFFAOYSA-N 447.505 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccsc1)N(CC)CC 1507535302 DTGNYKPMBMQPOL-XMSQKQJNSA-N 439.604 4.611 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCCC(F)(F)C1 1507676784 PSWOMMARNJCPLZ-NRFANRHFSA-N 440.538 4.844 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1ccncc1Cl 1507699498 HQBUCZDJYIUJAO-UHFFFAOYSA-N 435.890 4.722 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@H]1CC 1507757327 YAVXSMAOLKSTLM-GOSISDBHSA-N 443.667 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)CC 1507764182 JTTNLBFKNNCZDC-QFWMQHCXSA-N 445.007 4.841 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](SC)C(C)(C)C 1507774016 ZHXNZELTFUYHAK-JXALWOEJSA-N 440.613 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1507813977 HVPLUKHDCWWZBL-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 1507825508 YJVQTYTWMOKOKG-NRFANRHFSA-N 434.563 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCSC1 1507974656 ZWVRNUBPJQTXOH-CYBMUJFWSA-N 425.371 4.612 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccco1)N(CC)CC 1507975372 PDMKHOWIROGNSC-QFIPXVFZSA-N 430.556 4.792 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H](OC)C(C)C)C1CC1 1507989988 GMEDPNVQMHCPDK-SFHVURJKSA-N 437.357 4.673 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1507993010 MRPUENDPBYKEOJ-CQSZACIVSA-N 427.499 4.710 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1508004057 IQDVCOJBWDXXEE-QRVBRYPASA-N 447.505 4.715 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1508008574 HGLNBPGZFCXSFB-NRFANRHFSA-N 449.624 4.676 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCOC(C)(C)C 1509093564 AEUVOFYCJYAMCC-VXKWHMMOSA-N 439.604 4.519 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)on1 1513299424 CLBFFVBCOKEGNG-UHFFFAOYSA-N 426.471 4.602 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2-n2cccc2)cc1Br 1520825382 AZDGYDHKOCIGQO-UHFFFAOYSA-N 430.689 4.782 30 10 IJEE C=CCCCCNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 1523749878 DMVIONSGQUGQER-UHFFFAOYSA-N 431.330 4.553 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C3CCCCC3)cc2)cc1 1527049051 QGXXKWDQHLBOFZ-UHFFFAOYSA-N 426.582 4.722 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)O[C@H](Cc1ccc(F)cc1)C(F)(F)F 1529156193 FRNWHKRFGCCKEL-MRXNPFEDSA-N 446.194 4.555 30 10 IJEE CC(=O)c1csc(C(=O)Oc2c(Br)cc(C#N)cc2Br)c1 1530237732 DXTOZPFAKXGQKR-UHFFFAOYSA-N 429.089 4.567 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 1531923140 LRWMMZZYVWQVJY-OXJNMPFZSA-N 433.390 4.552 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)C1CCOCC1 1532933848 DOUNVVAOHURWPN-NRFANRHFSA-N 449.348 4.823 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 1535193027 BPJOCXOEMATZSN-UHFFFAOYSA-N 428.414 4.981 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1 1536870161 BGXQROYGWFTIAP-HXUWFJFHSA-N 444.478 4.686 30 10 IJEE CC(C)(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 1537736405 GYTBWEPSJPNMBM-UHFFFAOYSA-N 431.458 4.756 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(Cc1cccs1)C(C)C 1539626566 FKXHRAWWWJYBOE-GHTZIAJQSA-N 425.602 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)C1CCCC1 1539638396 YYCWQIIQDYDSAI-SBUREZEXSA-N 430.543 4.897 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](COC)C1 1539734583 AIGPAJWZMGYGKT-FQEVSTJZSA-N 426.605 4.698 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](SCC)C1 1539743675 ONHOVOPZPMBSBG-LJQANCHMSA-N 430.618 4.658 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCC(=O)NC1CCCCC1 1540134129 SJVYMWJUSPKCGX-UHFFFAOYSA-N 437.632 4.898 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1CCC(=O)N1CCCCCC1 1540185124 NNXBUVNTWDIVSL-UHFFFAOYSA-N 447.583 4.566 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1540911621 XBBQATTZJPFTSJ-HZPDHXFCSA-N 438.016 4.576 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 1559708764 BWUWDQJSKZMSFO-HZPDHXFCSA-N 426.504 4.943 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1 1560110346 JEFTWMBLNPYSOD-PZJWPPBQSA-N 434.609 4.921 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc([C@@H](C)CC(N)=O)cc2)cc1OC 1560602084 ZVVRLJWRUNNTQO-AWEZNQCLSA-N 433.346 4.614 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)c1ccc(C)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1564470580 FLFJMCHLPWNQQF-NRFANRHFSA-N 431.552 4.630 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1566676020 QZEVOIXDEPGGCG-QZTJIDSGSA-N 444.494 4.759 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 1583087617 MMGQWKLKYIUZGV-LJQANCHMSA-N 433.552 4.932 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(OC)cc2Br)cc1OC 1583473961 VQXUFLRJXIJALA-XKOZXHHJSA-N 446.341 4.922 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cccc(O)c1)c1ccc2c(c1)OCCO2 1585493663 XHSJOROSVUPULI-UHFFFAOYSA-N 431.488 4.504 30 10 IJEE C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N1c2ccccc2C[C@H]1C 1587570373 HSHBIWZPHJGWKE-QZTJIDSGSA-N 441.556 4.806 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1588452670 VDSCLAIVJHRNAZ-SJORKVTESA-N 436.478 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC1(SC)CCC1 1589163602 LMUQHRSNFVQXBL-HXUWFJFHSA-N 445.430 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1nc(C2CC2)cs1 1589687801 PDDQJRAJVVLPRQ-UHFFFAOYSA-N 427.549 4.781 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)[C@@H](C)CCC)CC1 1594201905 CKSCOEDYMUVWHU-KRWDZBQOSA-N 429.996 4.553 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1594236830 JPMJCYSIGIGDKA-LJQANCHMSA-N 436.478 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)s1 1594484296 PYKJQOXVDUAVGR-UHFFFAOYSA-N 447.406 4.798 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1594714154 SIOWBCFQTHTTKX-LJQANCHMSA-N 448.615 4.771 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CCCCC2)nc1 1595185231 RRLZEWMXPCIRGW-UHFFFAOYSA-N 444.583 4.566 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1C[C@H](F)C1 1595234186 JZEQHFUSRMCSLA-FHWLQOOXSA-N 433.572 4.667 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1595343189 FXGICDBPKOKIHM-LSDHHAIUSA-N 437.407 4.739 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)c2nccs2)C1 1595705748 DPCPWLSBVQKHPM-CVEARBPZSA-N 429.977 4.640 30 10 IJEE C#CCN(C(=O)c1ccc(I)cc1F)[C@@H]1CCCc2ccccc21 1611222984 LUBFHNOZBYBECJ-LJQANCHMSA-N 433.264 4.583 30 10 IJEE Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC1(c2ccc(F)cc2)CC1 1612558666 DXGFJORFTZBNJX-UHFFFAOYSA-N 436.375 4.779 30 10 IJEE C#CCN(Cc1cc2c(cc1Cl)OCCO2)[C@@H]1CCOc2ccc(Br)cc21 1615535588 JAHUXFHFVKCYCL-GOSISDBHSA-N 448.744 4.833 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-n2ccccc2=O)cc1F 1617369444 KZKFWMQSBMUYST-UHFFFAOYSA-N 432.373 4.813 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@H]2CCc3ccccc3C2)n(Cc2ccc(F)cc2)c1C 1620665947 BWJPXQAJYLVKMV-DEOSSOPVSA-N 444.554 4.592 30 10 IJEE C=CCN(C(=O)Cc1nc(-c2ccccc2)cs1)[C@@H](Cc1ccccc1)C(=O)OCC 1625224774 QTJZFJSJYSBZIJ-QFIPXVFZSA-N 434.561 4.542 30 10 IJEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(CCCC)cc2)C1)[C@H]1CCCc2ccccc21 1626711400 ZEUZOXGJEZLGQH-BVAGGSTKSA-N 428.576 4.922 30 10 IJEE CCCc1c(NC(=O)c2ccnc(NC(=O)OC(C)(C)C)c2)cnn1-c1cccc(C#N)c1 1633287291 HZBMZMMKGUHTES-UHFFFAOYSA-N 446.511 4.691 30 10 IJEE COC(=O)[C@@H](CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 1633914532 CSCPDAYMZFVMGV-IBGZPJMESA-N 434.879 4.691 30 10 IJEE C=CC1(CC(=O)Nc2ccc(SC)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 1634038169 NBEDRGZZNRVLOH-UHFFFAOYSA-N 441.391 4.923 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1636562921 PWJIFVCIAFPHJI-IBGZPJMESA-N 443.341 4.578 30 10 IJEE COC(=O)c1ccc(CNc2c(C#N)cnc3c(Cl)cccc23)c(Br)c1 1639784532 DAVDSHKUYVAVLE-UHFFFAOYSA-N 430.689 4.921 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C 1642396381 BXNOVGLHQAEBMW-UHFFFAOYSA-N 441.366 4.988 30 10 IJEE C=CCC1(NCC(=O)Nc2c(Br)cc(C)cc2Br)CCCC1 1643837820 SMJBWTMJDNPVIY-UHFFFAOYSA-N 430.184 4.937 30 10 IJEE C=CCN(CC(=O)Nc1nc2c(s1)CCCC2)Cc1cc(Br)ccc1F 1644504215 GUQBOWQAZQAKSX-UHFFFAOYSA-N 438.366 4.550 30 10 IJEE C#C[C@H]1CCCN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 1654037142 XBGUWLXTUUTEAB-HTAPYJJXSA-N 446.532 4.743 30 10 IJEE COCCN(CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1)Cc1ccc(C#N)cc1 1657180730 FQMWHLFHVNQABV-UHFFFAOYSA-N 448.592 4.694 30 10 IJEE CC(C)(C)[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1661800886 HSMMLFITWMBNBP-OCCSQVGLSA-N 431.371 4.591 30 10 IJEE C=CCOc1ccc(CNCc2ccc(N3CCN(CC4CC4)CC3)cc2)cc1Cl 1661945705 SASKBXALZXMZTG-UHFFFAOYSA-N 426.004 4.727 30 10 IJEE CCOC(=O)c1c(NC(=O)NC(C)(C)c2ccc(C(F)(F)F)cc2)c(C#N)cn1CC 1662775464 GHFSOMPKWNRHAS-UHFFFAOYSA-N 436.434 4.632 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)cc1OC 1665572297 QFRYPRLQOZPELM-GOSISDBHSA-N 430.932 4.513 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1668177522 VYLPXZMINVGCOP-GOSISDBHSA-N 442.459 4.783 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)cc1)c1ccc(F)cc1 1669360541 VPSUOKDSADITLY-QFIPXVFZSA-N 427.522 4.993 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CSCc2ccc(Br)cc21 1669536340 IFYIKZOBBZTEJK-KRWDZBQOSA-N 435.318 4.710 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 1672209410 CZNDGWMDYMVTHT-NVXWUHKLSA-N 433.346 4.690 30 10 IJEE Cc1ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1NC(=O)C(C)(C)C 1674501820 HIMZUIFBEHBHPS-UHFFFAOYSA-N 433.556 4.642 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(Cc3nc(-c4cc(C)ccn4)no3)CC2)c(Cl)c1 1680875961 ZIMFWSHVXJRBCP-UHFFFAOYSA-N 435.915 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)CCC(C)C 1689829163 WCPCJJXHMLUEQL-BSRJHKFKSA-N 432.996 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccco1)N1CCCCC1 1689842478 BBRBPVDVYFVUOF-NQIIRXRSSA-N 437.975 4.877 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC=C)c1ccccc1 1690028497 YLHCDRQQOPENPY-RBZQAINGSA-N 430.596 4.629 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](OCCC)CC1 1690166012 RBDIDTUGJNENPY-OAQYLSRUSA-N 449.624 4.645 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 1690174881 LGYHYUUUMCLISF-GOSISDBHSA-N 437.613 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)N(CC)CC 1690209154 MDJKLDCMVOFFBT-GBXCKJPGSA-N 437.613 4.599 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1oc2ccccc2c1C 1690517626 IZAREXRFRKIBFE-UHFFFAOYSA-N 426.318 4.761 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCC(F)(F)C1 1690611445 MCJHKPFTGNLTTA-GOSISDBHSA-N 441.526 4.876 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@@H](C)C1 1693611152 CPKVQGUNJXQRRI-CEXWTWQISA-N 444.624 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(F)(F)Br 1705481599 JQWCDFXUBABNSY-NEPJUHHUSA-N 443.361 4.577 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705487091 RTNHCYIRYUZLLY-LSDHHAIUSA-N 425.989 4.686 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC[C@@H](COC)C1 1705524423 LQLSVUVXHNWZAY-RBUKOAKNSA-N 430.980 4.738 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1705608734 CBFHMSPLKJOJSA-IBGZPJMESA-N 445.995 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](OC)C(C)(C)C 1705668685 RHEPLIJVMNUFMD-VWQFJMCTSA-N 428.552 4.610 30 10 IJEE C=C(Br)Cn1c(N2CC[C@H](OCCCc3ccccc3)C2)nnc1C(C)(C)C 1705692569 NEFDTXOYIZVXIN-IBGZPJMESA-N 447.421 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC2CCCC2)nc1 1705713737 REMIDUBRDQTJKD-UHFFFAOYSA-N 442.567 4.984 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705803033 CMURXNNUJCWVBD-UHFFFAOYSA-N 436.560 4.560 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2sccc2C)C1 1705917622 WVFIIEMKUUPWLB-SFHVURJKSA-N 446.523 4.746 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)SC)C1 1705928586 RUSWRRFIGOBHMX-RDJZCZTQSA-N 439.050 4.757 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722338318 ICPDSRSYBBVRTJ-ROUUACIJSA-N 432.037 4.556 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccc(C(F)(F)F)cc1C 1722398626 FTGNLVGHVCNVQV-UHFFFAOYSA-N 442.510 4.769 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1CCN(CC)CC1 1722405032 GEGJMTOHXXFYIC-IBGZPJMESA-N 444.023 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@H]1CCO[C@@H](C)C1 1722466711 CXCNKERRBIGBBI-AJGMTHFWSA-N 440.563 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC[C@H]1CCO[C@@H](C)C1 1722475716 GPSJQWSPIZLBDO-AOJNWGRGSA-N 436.600 4.671 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](CC)C1 1722479325 CLAKYGYSLKVDRA-CYBMUJFWSA-N 425.758 4.752 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722610785 QQFPZWVSGDKRLT-WOJBJXKFSA-N 441.645 4.608 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1722617266 HVFXLOIXIYEVJH-RCZVLFRGSA-N 444.627 4.719 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CC[C@](C)(CC)O2)C1 1722722506 PJQWVRJGJIKRAD-LGVFNWMJSA-N 445.007 4.651 30 10 IJEE CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)N1CCc2ccccc2C1 1727264543 GHDWMWPBLWAXMY-YIXXDRMTSA-N 448.659 4.834 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1csc(C)c1 1740634575 BXQJXKZCDQEXBZ-UHFFFAOYSA-N 442.544 4.608 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCN1CC 1740768747 BZFWIGSDXLKXEX-LJQANCHMSA-N 446.437 4.903 30 10 IJEE C=C(C)COCCn1c(N2CCS[C@H](C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1740799628 QJMGXYMWFUHXKS-WOJBJXKFSA-N 426.630 4.671 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)cc(OC)c2)CC1 1740819087 CYTGYDONULZIOL-UHFFFAOYSA-N 442.361 4.557 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)CCCS2)CC1 1740835024 BKTPZTJWXGBLNX-IBGZPJMESA-N 436.423 4.724 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c(F)cccc2OC(F)F)CC1 1740838482 QJKYHJUULLKMAT-IBGZPJMESA-N 436.478 4.711 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2scnc2C)CC1 1740841253 KVDBQTCYYWHBDB-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740847218 AORHHFFOUZEGKK-FQEVSTJZSA-N 438.963 4.569 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(F)(F)CO1 1740856531 VBASDQAUJGGHSG-INIZCTEOSA-N 425.911 4.600 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1740891883 LQMAFPAPDMYJFT-ICSRJNTNSA-N 427.593 4.698 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CCc1cn2ccccc2n1 1740914423 FOMDVRMDBJKUCG-HXUWFJFHSA-N 439.567 4.746 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@H]1CSCCS1 1740915114 VDTHIMDFKIMERF-PXNSSMCTSA-N 427.643 4.704 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)N2CCCC2)C1 1740979030 ATDBNBLAPRADIM-WOJBJXKFSA-N 443.661 4.547 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCSC1 1748680376 RFVGJQGCGNUPHR-MOPGFXCFSA-N 447.048 4.853 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1748740255 OIKXDNPFGZNOBP-SFHVURJKSA-N 442.972 4.660 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1749181542 JUSPJWINQLGEIK-UHFFFAOYSA-N 435.616 4.703 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CC(F)(F)C1 1749217783 BHRURAYITRPVMH-UHFFFAOYSA-N 428.886 4.812 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1749230994 ABCANKMGCFPHAJ-UHFFFAOYSA-N 442.579 4.698 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)OC(C)(C)C2)cc1 1749685408 DLYGZPGIKLXLHQ-SFHVURJKSA-N 438.597 4.547 30 10 IJEE CC(C)C(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C#N 1750075735 HHUWQAKWKIIADP-SFHVURJKSA-N 446.640 4.671 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1760279974 GLIQNWFVHJASBZ-NRFANRHFSA-N 443.705 4.783 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1760317058 ACGVTEATNCDWMF-TZIWHRDSSA-N 425.964 4.710 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@]2(CC=CCC2)C1 1760342261 CYZCGCYCVWYYFK-RUZDIDTESA-N 438.572 4.874 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1760352942 CAAPFKUGLKJJSP-GOSISDBHSA-N 445.489 4.865 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1760385451 RCQUOAYGIQHJGR-KRWDZBQOSA-N 428.993 4.514 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1760398498 APQVKDQDVUBZEG-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)C2CCCCC2)CC1 1760403058 DWSOWIZIQZUEKI-SANMLTNESA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1760426689 AUQYGYBLXXWEGZ-UHFFFAOYSA-N 449.624 4.558 30 10 IJEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1CCC(F)(F)CC1 1760505982 WKGGKEZNNZJNAU-UHFFFAOYSA-N 443.542 4.745 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760534061 QYTJKBUSNSIQJA-NHCUHLMSSA-N 437.632 4.543 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1760560355 SWKYJCIUSGJSGT-KRWDZBQOSA-N 435.037 4.852 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760567723 KVLJAKWCEVKYCB-UHFFFAOYSA-N 441.645 4.681 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)C1 1762492770 DBPYNUGGTWHENS-HSZRJFAPSA-N 435.597 4.802 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1763326229 AOOSVJJDQKXPPN-OFNKIYASSA-N 434.632 4.954 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)n3ccccc23)cc1 1858244777 OLWFINLHPRDYQI-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1860844920 CMNZAAVMMCXUTQ-AWEZNQCLSA-N 440.739 4.672 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1C(=O)O)c1ccccc1Cl 1862434176 TVSXAHHQGBCWSN-IBGZPJMESA-N 425.868 4.559 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862444831 IHPBRORPHDVPLR-OAQYLSRUSA-N 435.863 4.530 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862519930 WPVCNTYOCNTFTE-BTYIYWSLSA-N 438.480 4.760 30 10 IJEE CCCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1 1862755774 RJCSICYUPLCAQE-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CSc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862905563 UBKBLGPKOXRUNB-UHFFFAOYSA-N 425.513 4.985 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866751667 AQNHXUXERHAKAH-VXKWHMMOSA-N 441.572 4.704 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2Cl)cc1 1867404377 GSANDHSRJUCFTH-PKTZIBPZSA-N 449.913 4.510 30 10 IJEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868238580 SUSNULWWZBCFIS-QFIPXVFZSA-N 440.551 4.500 30 10 IJEE CSCCCC(=O)Nc1c(C#N)nnn1-c1ccc(-c2nc3ccc(C)cc3s2)cc1 1870159353 GKXUFZVHPGGEJF-UHFFFAOYSA-N 448.577 4.806 30 10 IJEE C=CCn1cc(OCCCCC)c(=O)cc1CN1CCN(c2cccc(Cl)c2)CC1 1870676936 URBHGGDXMYMKOP-UHFFFAOYSA-N 429.992 4.579 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CN(C)C 1870716365 VMHBWWRKXLVFLL-UHFFFAOYSA-N 448.007 4.941 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1cccc(C)c1C 1871186732 FJPKRQUBOSEBBJ-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 1871370954 KAWGAKGIHQAKJS-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872529472 HJLOYVWHIPAPBJ-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@@H](C)CC)c2)=C(c2ccc(Cl)cc2)C1=O 1873357534 PNUYIKJNCCKWCB-HNNXBMFYSA-N 438.911 4.673 30 10 IJEE N#Cc1cccc(Nc2[nH]c(=NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)c1 1873476930 BFVZMBTWLDBYFD-UHFFFAOYSA-N 435.466 4.604 30 10 IJEE Cc1cc(OCCCc2nnc(SCCCO)n2/N=C/c2ccco2)cc(C)c1Cl 1874194084 XAQRTNXCZJQYAL-OEAKJJBVSA-N 448.976 4.510 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1sccc1C 1874228723 YYNUFPLHVOVEPK-HYARGMPZSA-N 426.567 4.952 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1ccco1)Nc1ccccc1F 1874405168 JYEYBIDLUCNWJJ-ZVHZXABRSA-N 441.532 4.746 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1cc(Br)ccc1O 1874412221 IPGRQRFZYLLXAW-KEBDBYFISA-N 449.399 4.949 30 10 IJEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccc(F)cc1 1874437160 MYUHUMDTIKRRCV-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2F)c1 1874511522 CLUSBQXHEYRSMD-BHGWPJFGSA-N 429.496 4.601 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2F)c1 1874511638 HYJONYZRIUWDCV-OPEKNORGSA-N 443.523 4.910 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C2CC2)cc(OC)c1OC 1874517314 XVPCLTRQTRDOSX-ZMOGYAJESA-N 438.553 4.664 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1cn(C)c2ccccc12 1874518356 PLJWCBPFUUKAJV-DHRITJCHSA-N 444.564 4.569 30 10 IJEE CCc1ccc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)cc2Cl)cc1 1874536760 URCATQPRZOUULI-AUEPDCJTSA-N 434.352 4.760 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875119835 OWSZJODIRMXUKP-ACCUITESSA-N 447.443 4.656 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)CCOC 1875144668 KNROEPIQEUOREN-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1F 1875153169 UAVJTESTORMDRI-PDGUBNMISA-N 449.272 4.577 30 10 IJEE O=C(Nc1cccc(C(F)(F)F)c1F)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889403540 RPSXJEMZAPCIRU-LLVKDONJSA-N 436.331 4.659 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)c1ccc(F)c(Br)c1 1922073435 DIGVKYOCJDCALX-FGZHOGPDSA-N 436.365 4.937 30 10 IJEE C#Cc1cccc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951419129 BITMMBXARRMPSJ-HXUWFJFHSA-N 425.484 4.765 30 10 IJEE CC(C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 1956966405 UUQQLQXEWLVRNJ-UHFFFAOYSA-N 431.183 4.558 30 10 IJEE CN(C)Cc1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079173035 ICPVFLXGEJDJIY-UHFFFAOYSA-N 448.180 4.932 30 10 IJEE CC[C@H](c1ccc(OC)cc1C)n1nc(C(F)F)c(C=NO)c1I 2079952514 JLQNNGRNJUCKKP-CYBMUJFWSA-N 449.239 4.550 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Br)cc2C#N)s1 2124685289 IMGDMUWMQXCRRF-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC1(C)OB(c2cccnc2Nc2ccc(Br)c(Cl)c2F)OC1(C)C 2232323350 MWHHZBBJJBJVKG-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1cc(I)ccc1F 2235735552 ZDKSHHYAYKSWKK-INIZCTEOSA-N 444.085 4.505 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2235736638 ZOPCPHAQNWBZQS-RTBURBONSA-N 435.406 4.814 30 10 IJEE CCN[C@H](CC#CC1CCCC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2261102657 IFYZZUVUCKEQHW-SQHAQQRYSA-N 439.644 4.718 30 10 IJEE Cc1cccc(CNC(=O)OC(C)(C)C)c1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266706690 ATMPBRZRWWTNLM-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE C=CCCC1([C@H](Cc2ccc(F)cc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281047152 FWOYWOFREILVLF-SFHVURJKSA-N 441.385 4.922 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2296215979 GJEIOVKVRDDZHN-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 2296292567 ZRTVLSJQFZJWOQ-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CSCC#CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2299648613 MFWCLVBQRORYPQ-SANMLTNESA-N 432.541 4.814 30 10 IJEE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 2313601754 MMKDZGDZNGTJIG-UHFFFAOYSA-N 446.458 4.665 30 10 IJEE C=CCN1C(=O)C(=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 2313617334 HOYAVLPKJNCADN-UHFFFAOYSA-N 426.950 4.957 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 2320915330 WZFHGZOLPOXTEU-UHFFFAOYSA-N 444.919 4.909 30 10 IJEE COc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1O 2320917953 UXFCWSOQIBJZOM-UHFFFAOYSA-N 432.908 4.837 30 10 IJEE Fc1ccc(COc2ccc(C=Nn3c(S)nnc3COc3ccccc3)cc2)cc1 2321968710 JENRMXYEVKQOPV-UHFFFAOYSA-N 434.496 4.746 30 10 IJEE O=C(COc1ccccc1C=CC(=O)c1cccc(Br)c1)NCc1ccco1 2322457455 ZKNDMRNUTZWQRU-UHFFFAOYSA-N 440.293 4.633 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCC(=O)Nc1cccc(C)c1 2323197103 OIGIBNJVKWDDNW-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)o1 2325394844 YYNXWXADEPKWBM-UHFFFAOYSA-N 435.388 4.560 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325731563 FRWZPRWJQBGVEV-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)Cc1ccccc1 2325744809 KZXCBWPITZMAFI-UHFFFAOYSA-N 430.456 4.511 30 10 IJEE COc1cccc(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)c1OC 2326608080 CGOWMPNLFWCSCL-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE CCc1ccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCCCO)cc1 2326935756 QRVKMSBTDBECPI-UHFFFAOYSA-N 438.641 4.956 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCO)n1N=Cc1ccc(C(C)C)cc1 2327133288 TUXKQDIXTCEBOX-UHFFFAOYSA-N 438.597 4.688 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccn2)cc1C 2330631756 CVUFCBOGHCWHJG-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)c1 2330889065 YVNLLGNCIWTELY-OAQYLSRUSA-N 438.553 4.630 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(F)c1 2331084369 JSKZUYZKVZPDLP-UHFFFAOYSA-N 431.581 4.698 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)c1 2331167647 CAXHXCPTDWOAJQ-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE COCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1Br 2331616519 QFFMISAPYDMUQJ-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cn(C)c3ccccc23)cc1 2331733903 BHPGBSZKNMBGMN-UHFFFAOYSA-N 444.564 4.569 30 10 IJEE CC[C@H](NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512623 PCBCDWRXMOYEFP-NQIIRXRSSA-N 446.441 4.672 30 10 IJEE C[C@@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339539318 GARBXPNWCCWEKF-GOSISDBHSA-N 443.397 4.562 30 10 IJEE C=CCN(C[C@H](NCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2339687533 WYPNTOAVJSVTGN-KRWDZBQOSA-N 427.383 4.840 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2358672199 UKLAGVSGTUZFOH-OJAHFUOMSA-N 433.390 4.567 30 10 IJEE CC[C@@H](NCC1CCN(Cc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363828386 DTBLAENMZRTSDL-AREMUKBSSA-N 448.460 4.939 30 10 IJEE COCc1ccc(CN[C@H](C#N)c2scc(Br)c2Br)s1 2368020160 QYBBPIYBMHAGFO-LLVKDONJSA-N 436.194 4.835 30 10 IJEE CCCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C#N 14650031 NLSILMDUWBMCNV-UHFFFAOYSA-N 432.343 4.626 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(O)c(OCC)c1 40097475 ZIDKMFUNBNAUGT-JOCHJYFZSA-N 435.476 4.916 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 104400902 HNTJFVNJZYXPAF-KHPPMWQDSA-N 427.287 4.640 30 10 IJEE Cc1cc(SCC(=O)N[C@@H](C#N)c2ccc(F)cc2F)c(C)cc1Br 111029322 NKKAVWKSFCSHIA-INIZCTEOSA-N 425.298 4.817 30 10 IJEE CC(C)c1ccc(/C=C2\S/C(=N\[C@@H]3C(=O)C=CCC3=O)N(c3ccccc3)C2=O)cc1 136885610 AKBBGRQRKONFHU-HEFZSJDRSA-N 430.529 4.754 30 10 IJEE CCOc1c(Br)cc(/C=N\n2c(S)nnc2C(CC)CC)cc1OC 169910427 MSFUABQDKSBWMK-GRSHGNNSSA-N 427.368 4.522 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)c1OC 169951390 YTASFVGYCYFJKG-JOCHJYFZSA-N 447.487 4.971 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c1 169953239 ANYNGVXZRAXQFA-XMMPIXPASA-N 442.515 4.934 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C 170163325 BIASWJBMOZDHLO-NRFANRHFSA-N 434.517 4.547 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1cccs1 170164114 HHARXQBXATWZAL-HXUWFJFHSA-N 443.565 4.669 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccn2)c1C 170172926 MLAXWHANZCIOKO-XMMPIXPASA-N 440.499 4.806 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)cc1Cl 170204417 OAYMVCQZRLLWRJ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(O)c(Cl)c1 170219589 VGONIXCYOLMAQU-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)ccc1OC(C)C 170230181 WDOLVTAWMHFWSG-NZQKXSOJSA-N 435.520 4.540 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170261963 ZWVCECYCAUFLSS-QHCPKHFHSA-N 433.504 4.628 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)c1 170274996 XDGNHYNGHHCOPP-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2C)cc1C 170275850 BWPHONBXYBRQRO-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1C1CCCCC1 170317418 MOZUVGYJIVTZSN-HXUWFJFHSA-N 439.533 4.739 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1OC 170411736 SCVVSLLLVCZREE-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COC(=O)c1ccc(N=C2S/C(=C\c3ccc(OC)c4ccccc34)C(=O)N2C)cc1 254826681 IEWIMEOAORCFME-NGZUUMTHSA-N 432.501 4.869 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc3ncsc3c2)nnc1-c1ccco1 485677039 YAADEMANRPQADI-AWEZNQCLSA-N 439.566 4.693 30 10 IJEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3F)C2=O)cc1 526660678 UXKNIHLEWNLROO-UHFFFAOYSA-N 429.476 4.995 30 10 IJEE N#Cc1ccc(-c2nnc(N3CC[C@@H](COc4ccccc4)C3)n2Cc2ccccc2)cc1 549540212 WQZWNUJGGAVPIJ-HSZRJFAPSA-N 435.531 4.770 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 555290476 ITHCPCFHKIYITC-UHFFFAOYSA-N 448.546 4.527 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@H]2COC(=O)C2=C)C[C@@H](O)C[C@@H]1O 575327258 MQPRYFLDQLKZSD-ALRWUTKFSA-N 426.597 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 693764436 UROMCIDABMPNTE-GGUMNFRJSA-N 433.593 4.951 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nc3ccccc3c2=O)cc1 725858554 CJFIXYWTXJTKGY-UHFFFAOYSA-N 437.528 4.729 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1 728536897 KXPJEFREJLPMBQ-ISLYRVAYSA-N 430.529 4.747 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC(=O)N3CCOc4ccccc43)n2)cc1 731768050 YUBVKOYBMNPAKH-SFHVURJKSA-N 431.517 4.501 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C 735969608 WARZQGWQTCHWQC-GOSISDBHSA-N 431.920 4.847 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1nc2ccc(Cl)cc2n1C 760260268 MHTXXTRVKPOOMI-UHFFFAOYSA-N 445.836 4.934 30 10 IJEE C=CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 896487800 DABIERMPGHPFRH-FMIVXFBMSA-N 443.488 4.894 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)[C@H]1C[C@@H]1c1ccccc1Cl 920372606 SKYBXXCBOVTTDO-QZTJIDSGSA-N 441.944 4.522 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 1125735938 MEKNVRGGVMMUTH-UHFFFAOYSA-N 448.292 4.899 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 1126177242 AOHYEKLJOOIWMR-VWLOTQADSA-N 445.950 4.646 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 1137857659 XEIABZJNCHJUNY-HOTGVXAUSA-N 434.886 4.702 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 1148991241 IVEZHWGIOJDZCE-XUVXKRRUSA-N 438.996 4.764 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 1153568736 PWRFGKVMZNTMAG-INIZCTEOSA-N 434.968 4.845 30 10 IJEE C=C(CC)CNC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 1161804576 XEKSFIXEUTXMBZ-UHFFFAOYSA-N 447.560 4.878 30 10 IJEE C=CCn1c(SCc2ncsc2Br)nc2sc3c(c2c1=O)CCC3 1164588398 ZGLALJKEODTFMH-UHFFFAOYSA-N 440.413 4.644 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12)c1ccc(Br)cc1 1219878884 UQNWJBJDTRYLMF-MRXNPFEDSA-N 440.297 4.603 30 10 IJEE C#C[C@@H](NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1230504415 JJYCQPMQJMAPGW-OAQYLSRUSA-N 434.342 4.724 30 10 IJEE COc1ccccc1N1CC[C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 1266136195 HVHCRBJOYKYSJS-FQEVSTJZSA-N 429.545 4.727 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C)c1ccccc1 1272703361 DQBVWHVIGYIODH-ROUUACIJSA-N 442.401 4.888 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)nnc1-c1ccco1 1274032189 CDIVSTPAVIFROE-VQTJNVASSA-N 436.581 4.906 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1nccs1 1286279216 KKOZTPUHUZFFEM-JKSUJKDBSA-N 425.627 4.994 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)c1ccccc1 1286280424 ZPSCXFDCUIDAHD-IBGZPJMESA-N 433.625 4.870 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2ccc(Cl)nc2C1 1286335236 RJZHWZZKADVHHM-UHFFFAOYSA-N 449.986 4.889 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(F)F)C1 1286497303 OVZPDNMFEZIABI-OALUTQOASA-N 448.583 4.883 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C)[C@@H]1C 1286497433 SDUPFCYNIIFAKR-WMZOPIPTSA-N 437.638 4.978 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 1286550305 HTKOATLFBCMSBI-UGKGYDQZSA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1286573076 DYQUEQAFHNZRFU-XMMPIXPASA-N 444.627 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CCOCC2)C1 1286666694 DDZCJVPCPJJYIF-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286669311 AWFQOYWPDSHYAA-UHFFFAOYSA-N 445.567 4.747 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1286690987 ZLGWZSCBYWRLPH-QGZVFWFLSA-N 438.498 4.543 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ncccc1C 1286718253 CROOKOOIAOOVEL-UHFFFAOYSA-N 432.753 4.735 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)c1ccc(F)cc1 1286718339 GCHBZUYMNXDCDO-UPCLLVRISA-N 440.588 4.800 30 10 IJEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(CC)(CC)SC)C1CC1 1286736910 JHAZWMVWHJXDOZ-HXUWFJFHSA-N 428.602 4.867 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](OC)C(C)(C)C 1286765086 ADTMIFVSBFFGLZ-OAQYLSRUSA-N 446.661 4.975 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCc2ccccc21 1286766854 YDCOEYTUOSSJPQ-AREMUKBSSA-N 434.584 4.529 30 10 IJEE C=CCn1c(N(C)CCCCc2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777633 JIHGOGXQDTXLKW-OYRHEFFESA-N 439.604 4.694 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)cc1 1290545994 NQSQUXPQRDLRCT-NRFANRHFSA-N 444.938 4.952 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1C 1291085710 FLPDHNPONOGRDI-XWSJACJDSA-N 430.597 4.525 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCC1 1293082392 FXNDPARTYWAYNY-UUOWRZLLSA-N 445.563 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cscc1C 1300281957 FPKIVEOLQBTZBC-AWEZNQCLSA-N 445.386 4.592 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](SCC)C1 1300348424 LLHBMVGFXAXQBR-HXUWFJFHSA-N 427.574 4.769 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCc1ccc(OC(F)(F)F)cc1 1300633608 MABINMZBKVYACM-UHFFFAOYSA-N 434.487 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)[C@H](C)CC 1300904608 BXUQUQWFHWHBOZ-IIBYNOLFSA-N 435.410 4.907 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2cn(CCCC)nc2C)CC1 1301127349 JQCMIKFONADSMV-UHFFFAOYSA-N 432.616 4.933 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSC[C@@H]1C 1301139772 VSMFGNIUGMMZTM-INIZCTEOSA-N 446.617 4.515 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1301164583 BFSIXVFERHQDFE-ISKFKSNPSA-N 431.584 4.629 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCn2ccnc21 1301304605 GDKAILODTKIBNL-FQEVSTJZSA-N 434.588 4.685 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1301612096 VRMTVVHHUWKYNJ-KRWDZBQOSA-N 432.638 4.676 30 10 IJEE C=CCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)OCC 1307685984 XVEWMBOYVDOSDN-FQEVSTJZSA-N 447.329 4.520 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-n2ccc(C(=O)OCC)n2)c(F)c1 1311093869 KUVCMDJTXDKMAL-UHFFFAOYSA-N 440.450 4.547 30 10 IJEE C=C(C)CN1CCC(NC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)CC1 1311891254 JRUWKHLGTVUKJY-MIZPHKNDSA-N 441.616 4.792 30 10 IJEE C#CCCCCNC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 1312280899 WMOCLIHJJUOOGK-NRFANRHFSA-N 443.547 4.764 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](OC)[C@@H](C)CC)c1ccc2c(c1)OCCO2 1351532080 PNWDIVKMLIJJCF-UUOWRZLLSA-N 425.525 4.617 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccnc(Sc3ccccn3)c2)CCCN1C(=O)OC(C)(C)C 1357196328 RLOMGRGQXNIPLL-QHCPKHFHSA-N 440.569 4.912 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccccc1 1358900103 BJVAXGGMMYVJBI-HMXCVIKNSA-N 426.630 4.588 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H](SC)C(C)(C)C 1358938406 AHKHJXZXHOLJRT-PXNSSMCTSA-N 430.618 4.664 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1oc(CCC)nc1C 1359003401 JNYADWIZNVIDLL-MRXNPFEDSA-N 437.613 4.888 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC(C)(C)C 1359051699 HOSVONJIMRNMEA-UHFFFAOYSA-N 438.597 4.966 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](CC)C1 1359093854 UAKFKUALQXWQGS-QRFRQXIXSA-N 445.405 4.925 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1359127307 NMBPBXFJEIHHFF-RUZDIDTESA-N 430.556 4.525 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(CCOC)CCCCC2)CC1 1359166894 LEWXHSROVIFISK-UHFFFAOYSA-N 429.634 4.777 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359189466 LSGROBRHKQUTBT-IBGZPJMESA-N 433.641 4.772 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccccc1 1359194340 TZZPOWPKKXOUFL-JTHBVZDNSA-N 431.584 4.870 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359200273 ZDETXROJZKXXHA-QAPCUYQASA-N 448.398 4.571 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(C)C 1359222204 BIUJIDJHICVCEX-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)OC 1359276372 AOQJYCQMQNIGGA-ZWKOTPCHSA-N 440.613 4.994 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCO[C@H](C)C1 1359276460 DJDXPNJXHMVWAK-UXHICEINSA-N 436.556 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC(F)(F)C1 1359277776 VVJHALVTHSSXNY-GOSISDBHSA-N 427.499 4.912 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@H](C)C2)cc1 1359307471 LNPXBIBXHOVKLE-MRXNPFEDSA-N 441.988 4.548 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)C1 1360138237 BYWFOWSTNAJQNV-SFHVURJKSA-N 444.986 4.598 30 10 IJEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCCC1 1360949274 AMDDPYCIHNSSCU-UHFFFAOYSA-N 436.585 4.710 30 10 IJEE C#CCN(CC(=O)Nc1nc(-c2ccc(OCCCC)cc2)cs1)C(=O)OC(C)(C)C 1452089942 UWXRFHNOSHLDJX-UHFFFAOYSA-N 443.569 4.798 30 10 IJEE CCc1ccc(-c2csc(NC(=O)[C@H](c3ccccc3)N3CC[C@@](F)(C#N)C3)n2)cc1 1459948922 GAOAVVJXPHYOGC-XUZZJYLKSA-N 434.540 4.990 30 10 IJEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3c(Cl)ccc4ccccc34)CC2)c(F)c1 1463665276 GAHKMCAOTSYSQO-UHFFFAOYSA-N 444.915 4.736 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SCc2ccccc2)cn1 1466533521 NZNNOQREXIPZME-IBGZPJMESA-N 425.554 4.619 30 10 IJEE Cc1ccc(F)c(Br)c1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1466637691 AZJAXICQSZQANX-UHFFFAOYSA-N 445.336 4.554 30 10 IJEE C=CCC[C@H](NC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 1469468698 NDZAWOHZGAJSPQ-BDTNDASRSA-N 426.944 4.946 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C)N2CCCC[C@H]2C)cc1OCC 1473933658 OKXGAHRDLOGSHJ-SJORKVTESA-N 425.411 4.765 30 10 IJEE C=CCOc1ccc(Br)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 1474572231 BGVFWNLGBXRELL-UHFFFAOYSA-N 426.358 4.962 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccc(C)cc2C)CC1 1476729134 POEPVKYMUUWONS-UHFFFAOYSA-N 444.373 4.985 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCCc2ccccc21 1479075926 VAJQIBHNZNMUOI-YADHBBJMSA-N 439.600 4.744 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1507556902 LXMKKLNSTTYILH-BJLQDIEVSA-N 430.980 4.879 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(c2cccc(F)c2)CC1 1507607221 MYPVZMYGIZGLIW-UHFFFAOYSA-N 445.361 4.709 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1507782309 ZSWBSWYKEHYPHL-LJQANCHMSA-N 440.389 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](SC)C1 1507793608 FAHFXQBNWNOYTI-NSHGMRRFSA-N 448.036 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC1CCOCC1 1507918234 DHVRDQJVLPXQRW-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(N2CCCCC2=O)CC1 1507920468 VNIDWUATALHNMA-UHFFFAOYSA-N 449.643 4.647 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](COCC)C1 1507927346 QNMMHUSLMRTZTP-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507941018 CQTMZRIVDVVYJH-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507945551 CWDUFROYXWGUBS-IBGZPJMESA-N 425.577 4.665 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@@H](C)C1 1507957605 IQIKYQFNAJKUTN-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507970466 IZYCOOKIWLOQFK-AAEUAGOBSA-N 432.288 4.952 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccccc1)N1CCCC1 1508018214 PXCSCNJCOIOBCS-DEOSSOPVSA-N 428.584 4.664 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccccc2C#N)CC1 1508832147 CGRLRNPDGMNXRX-UHFFFAOYSA-N 431.588 4.544 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C3CC3)CCC2)ccc1OC(C)C 1517953940 IDFXQEIIVYUNDJ-SFHVURJKSA-N 437.588 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1524094918 IIMXPCQBMKLXFI-QRFRQXIXSA-N 430.545 4.733 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)c1ccc(Cl)cc1F 1528109356 QUKMVRIGBDNQMB-FQEVSTJZSA-N 432.886 4.841 30 10 IJEE CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(C(C)(C)C)c1 1529236007 AEHPHUWRJRUAPB-QHCPKHFHSA-N 447.623 4.897 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(CC)cc1 1531180768 FTRXNZYWBDCGQI-UHFFFAOYSA-N 443.547 4.519 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1ccc(OC)c(OC(F)F)c1 1536452932 YQGUJQYDDKUSCT-UHFFFAOYSA-N 445.384 4.853 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1 1538434347 AWZQQEDRSGRIOC-SWLSCSKDSA-N 431.758 4.662 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)Cc1cccs1 1539031471 JIFTUMDAXXWFIK-IAGOWNOFSA-N 428.989 4.909 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 1539040546 WENOLHZPCODBMY-PKOBYXMFSA-N 445.489 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCc1sc(C)nc1C 1539306908 MJYVSOOGHXNTEX-UHFFFAOYSA-N 441.963 4.517 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 1539504685 LKSSIKGKAFGPEN-CQSZACIVSA-N 439.412 4.622 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H]1C 1539524923 QLPRSHVPXJYJLA-MJGOQNOKSA-N 447.048 4.853 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1Cc1cccs1 1539594183 GVULUAZNSWMWPV-MRXNPFEDSA-N 444.402 4.830 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1539854573 GCYOOQUIABQHKD-RXVVDRJESA-N 429.634 4.632 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(SC)CC2)CC1 1539882220 HNONOLXMYZZMEL-UHFFFAOYSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1539926329 MIJXTVNZVOEJGD-UHFFFAOYSA-N 448.615 4.915 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC(C)CC1)c1ccccc1 1539946597 CMSKDBIZXWSNDQ-GTMAMOSYSA-N 435.616 4.775 30 10 IJEE C=CCCCn1c(COCC)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 1540014835 XHNUOLKZGCUMNB-UHFFFAOYSA-N 429.952 4.959 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2cccs2)CC1 1540020980 OHSVVCHQRSWFMH-NHCUHLMSSA-N 443.661 4.547 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@](C)(O)C1CCCCC1 1540119308 BTBZFLSSULPLLB-SANMLTNESA-N 435.616 4.971 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1ncc(C)s1 1540147995 YOJZZLJGPHXILE-WMZOPIPTSA-N 443.642 4.995 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3c3ccc(OC)cc3)n[nH]2)c1C 1540600546 RGNPEEGMUGRRMR-HSZRJFAPSA-N 433.556 4.842 30 10 IJEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCSC1 1541151847 HNYNNVULHDOVNU-IBGZPJMESA-N 439.629 4.638 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)c(O)n2)cc1 1542683905 IFCUXINUJUNRID-UHFFFAOYSA-N 429.354 4.731 30 10 IJEE C#Cc1cccc(N(CC(=O)N(C)CCCOc2ccc(F)cc2)Cc2cccs2)c1 1559630092 FKQRTUOOSIJLLY-UHFFFAOYSA-N 436.552 4.803 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1OC 1560486765 PXRYVDKRCVGNQE-QGZVFWFLSA-N 444.728 4.638 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)C2=Cc3ccccc3OC2)c1 1561074942 PTHXBFMTZQWBKB-UHFFFAOYSA-N 448.496 4.625 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C 1563453397 GKWCHUQHPCUXSH-LIRRHRJNSA-N 438.403 4.929 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 1563700852 DQXCPXYAZKCROQ-QGZVFWFLSA-N 430.483 4.852 30 10 IJEE Cc1nc(SCC(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c(C#N)c(C)c1C 1584190933 CUYNBIJHYWFQHM-ZDUSSCGKSA-N 446.979 4.500 30 10 IJEE C=CCOc1cccnc1C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 1584993510 GEXWINZMFYKZCT-UHFFFAOYSA-N 426.731 4.569 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)cc1 1585263078 UVVOYFGLJSSLJK-OAQYLSRUSA-N 426.354 4.992 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C(CC)CC)no1 1588016338 OSMGULICGCJCCE-UHFFFAOYSA-N 427.936 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(F)cn1 1589151374 XYMOWEZQIZMONZ-UQBPGWFLSA-N 433.531 4.609 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1589317877 WUIOPIUYPMUAMH-CYBMUJFWSA-N 434.338 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C)CC1 1589504658 IZJRKRVKJFIOPQ-YDHSSHFGSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(C)ccc1F 1589529204 MCSLMPGKZAINAD-CVDCTZTESA-N 435.547 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(Nc2cccnn2)CC1 1594521771 ROMYKZQXAGKZED-UHFFFAOYSA-N 445.615 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1594528134 GNYFCCBOFKRWAC-UHFFFAOYSA-N 425.621 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](COC)C1 1594529721 XQNNJPQLVQSDGJ-LJQANCHMSA-N 430.568 4.851 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2cccc(OC)c2)CC1 1594744561 UJVJBCJEHJMWBG-UHFFFAOYSA-N 437.613 4.993 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2occc2C)C1 1595699615 FUXMXRFHFWSERV-MRXNPFEDSA-N 433.339 4.983 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2nc3cc(Cl)ccc3s2)C1 1595729422 MFVYSXZKJUQOSP-MRXNPFEDSA-N 446.020 4.959 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)C(=O)OC(C)(C)C 1596887758 XMIZCENOPKVWFA-AWEZNQCLSA-N 443.396 4.781 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)c1 1598216627 WBNCNRQFLLCDOD-CVDCTZTESA-N 439.577 4.831 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)CCCCC1 1611728568 CGQRJDPEDWWDDZ-RTBURBONSA-N 442.583 4.560 30 10 IJEE C=C(C)Cn1c(SCc2ccc(N3CCC(OC)CC3)cc2)nnc1-c1ccncc1 1613604612 UCBAHNOQYTVPHH-UHFFFAOYSA-N 435.597 4.824 30 10 IJEE N#Cc1ccc(CN2CCO[C@H](c3ccc(Br)cc3)C2)c(Br)c1 1615244927 FHUPFUFWTFIIHU-SFHVURJKSA-N 436.147 4.657 30 10 IJEE COc1cc(/C=N/N=C2/S/C(=C/c3cccs3)C(=O)N2Cc2ccco2)ccc1O 1615300697 FNPDVYOJAHPYHT-AYIQTKRXSA-N 439.518 4.562 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 1618673685 OGFVGDLHUMGLKD-PZJWPPBQSA-N 438.572 4.587 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1ccccc1 1625398082 XAVBRDPWAKSFDD-LJQANCHMSA-N 428.460 4.674 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(COc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1628231629 NQTBUVNIFCYDCI-RUZDIDTESA-N 428.573 4.650 30 10 IJEE C=CC[C@@H](NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)c1ccncc1 1629340216 KBRBGMACRBMPLZ-JOCHJYFZSA-N 448.567 4.998 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1ccc(COc2ccccc2Br)cc1 1635753096 GWKZAERRWLZZSF-UHFFFAOYSA-N 431.374 4.608 30 10 IJEE C#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2 1636838640 GSDHHLDEZHZTMI-MDJJKAFGSA-N 434.898 4.628 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 1636892848 WHLBVIJPOVMSOF-ICSRJNTNSA-N 440.506 4.799 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(Cl)c1 1637707280 CIPUOFFQLCGDFS-INIZCTEOSA-N 427.234 4.680 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1637758656 WSZDUPGGMIJJNG-KRWDZBQOSA-N 437.487 4.510 30 10 IJEE CCOc1cc(CN(C)c2c(C#N)cnc3c(OC)cc(OC)cc23)ccc1OC(F)F 1639238541 AXFCXRICYAQLRT-UHFFFAOYSA-N 443.450 4.760 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 1645352703 ZKTVWXVPFSIMLR-HSZRJFAPSA-N 448.364 4.728 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1 1645997818 PJFBAFLPRLVPSK-UHFFFAOYSA-N 446.862 4.653 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCO[C@@H](c3ccncc3)C2)cc1OCC 1651094523 RDRCEDQQWSFFQE-AZUAARDMSA-N 447.373 4.818 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)OCC 1652431271 YFYRFLSICXYXKZ-UHFFFAOYSA-N 426.563 4.537 30 10 IJEE COc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 1660043888 HPWPGBCVXJGNIY-UHFFFAOYSA-N 428.460 4.549 30 10 IJEE CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc(Br)ccc1C#N 1661000432 BKNMTVUWJXMOCW-ZDUSSCGKSA-N 433.327 4.839 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cc3cc(Br)ccc3o2)cc1 1663237068 BFCJDAJOYJSNOU-UHFFFAOYSA-N 435.343 4.614 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CCCCC1 1665065907 XJBVDJUFCLKXHQ-UHFFFAOYSA-N 439.581 4.750 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)c1 1667444084 YRIUHUAXIWHMQJ-HXUWFJFHSA-N 434.989 4.712 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(c3ccc(OC)cc3)CCC2)cc1 1667786209 ORDTVTIRSJQUNF-UHFFFAOYSA-N 433.552 4.753 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 1673381412 NACTULYLHNMCHM-UHFFFAOYSA-N 436.726 4.618 30 10 IJEE C#CCN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)CC1 1674868635 LLIHIMLSUHMONF-UHFFFAOYSA-N 439.425 4.579 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cc(Br)ccc1OC)c1ccc(F)c(F)c1 1678781783 RUVVGNIBVLHCCU-SFHVURJKSA-N 425.273 4.853 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 1680021723 UVNRCRXJIZWSHP-CQSZACIVSA-N 447.988 4.819 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(F)cc1 1680225276 PZAYWMRFGQCYIO-NHCUHLMSSA-N 429.333 4.973 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cc(C(=O)OC)c(C)n1C)c1ccc(C(F)(F)F)cc1 1680633543 OXFMIQJLYPCVKE-LJQANCHMSA-N 437.462 4.646 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC(c2nccs2)CC1 1689903976 GIRCKLZXDICFCW-UHFFFAOYSA-N 439.560 4.640 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](OCC2CC2)C1 1689913454 OKSKMLNNFHWEAK-GMAHTHKFSA-N 436.600 4.844 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1689917604 AEMBPHWCEDHDQR-OAHLLOKOSA-N 441.295 4.900 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690059889 ZLWDNKKTJPPCPA-JQVVWYNYSA-N 442.579 4.858 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(CC)Cc1c(F)cccc1F 1690179433 YXMVJODLQREHMD-UHFFFAOYSA-N 432.565 4.602 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCc3ccccc32)CC1 1690394822 NKZHYNMDUQFVPX-OAQYLSRUSA-N 435.616 4.719 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1690576275 UHHJWKVOKFKVJW-OAQYLSRUSA-N 449.624 4.766 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN(C)CC(F)(F)F 1705483138 OBPGQFOYCASTDN-QGZVFWFLSA-N 435.538 4.585 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705527952 QAXOFQMGRKIJCS-UXHICEINSA-N 434.540 4.534 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1ccc(C)cc1 1705606519 WGDMJPOUTGZAIK-INIZCTEOSA-N 426.362 4.607 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)c1ccccc1 1705617736 FZGLWHISNRNJCX-FPOVZHCZSA-N 437.588 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOC[C@@H]1C 1705712606 ACBOERPZUBQSGI-GJZGRUSLSA-N 439.423 4.844 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1705765228 DIUGFQPXTMWTHS-PMACEKPBSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1705779482 KWUXIIMANCUTKJ-JOCHJYFZSA-N 434.588 4.594 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1705797280 SZENUYKHNYDEBG-XMMPIXPASA-N 445.611 4.997 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705815530 ZLQLFJXRJOLCAA-HXUWFJFHSA-N 446.599 4.591 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nc(C)c(C)s1 1705834388 JQTMUSMGVQGOBX-MRXNPFEDSA-N 427.574 4.561 30 10 IJEE CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC#N)CC1)Oc1cccc(F)c1 1708789133 BIEXENQJSRCHQY-OAQYLSRUSA-N 448.546 4.775 30 10 IJEE CCc1cnc(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@@H](C)C#N)s1 1708968281 BNJDZOFMUHJTPB-CABCVRRESA-N 440.642 4.794 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2nc(C(C)C)cs2)c1 1711910548 FBTVYVQMXZLYAR-HSZRJFAPSA-N 436.585 4.712 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nc(C)c(C)s1 1722279320 OKJVYZLJZUURCQ-MRXNPFEDSA-N 444.608 4.932 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CCOc2ccccc2Cl)nnc1C(C)(C)C 1722500838 NIXLYMZBRJHFHQ-FXAWDEMLSA-N 432.996 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CC12CCOCC2 1722502353 UBHDRYNIVWPAMJ-RTBURBONSA-N 428.552 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1nnc(C(C)(C)C)s1 1722514134 WBQGQVDRYGZKCB-UHFFFAOYSA-N 428.581 4.608 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722530016 KNOSENAMMZFAFI-DHIUTWEWSA-N 449.599 4.726 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1722613129 UELYASYIAZTHCB-GHTZIAJQSA-N 439.604 4.823 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1722659170 RCZFZDILFDBPTB-UHFFFAOYSA-N 439.604 4.727 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCCc1nccs1 1722660422 VPUFIZBPGWXPRS-LJQANCHMSA-N 441.576 4.593 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Br)n1C[C@@H](C)OC 1722675223 LAXOZBFWEQSCIP-MRXNPFEDSA-N 445.361 4.571 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC1(c2ccccc2)CCOCC1 1722676208 WHAMIJRSTKMVAB-UHFFFAOYSA-N 449.624 4.561 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722707414 OLWRIDPQQMLVHB-PKTZIBPZSA-N 447.583 4.593 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cscc2C(F)(F)F)C1 1722712227 NHERGBLRVDRDOB-INIZCTEOSA-N 449.502 4.558 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1 1723386607 CJHRLGXHZDOMHH-UHFFFAOYSA-N 446.640 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@@H](OCC)C1CCCC1 1740545204 OPMKXLWTKDOFDS-NTKDMRAZSA-N 433.600 4.880 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCCOC1 1740581547 ZZMCEAHPZCRDFN-VQTJNVASSA-N 445.007 4.965 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@@H]1C 1740603450 STJGQKNQMNDXGQ-IBGZPJMESA-N 425.646 4.609 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS[C@H](C)[C@H]1C 1740780938 VMWJBRZGDAILNH-ZIAGYGMSSA-N 437.407 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1740845055 CKQNOAFYMNCWSV-FQEVSTJZSA-N 432.996 4.831 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCCC2)CC1 1740870916 XRYHMQFLMYANPC-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCCCC2)CC1 1740879409 HVMZMMUHZXZHHE-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC(C)(C)c1ccccn1 1740915147 WAWFWMFXINQHRZ-UHFFFAOYSA-N 449.562 4.777 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1csc([C@H](C)OC)n1 1740918216 GRPAJSGRLROKLW-KRWDZBQOSA-N 434.569 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1740931358 KKVKCHKOIPDXTN-UHFFFAOYSA-N 446.574 4.538 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)C1 1740984129 WMESZUGMNWSACN-XPNTWCBSSA-N 430.637 4.633 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)C1CCCCC1 1740998410 LRSZDGKEIXNYBT-UHFFFAOYSA-N 428.602 4.795 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1741001195 NOWQQAPUMQAYMV-IBGZPJMESA-N 428.602 4.521 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)c1nc(C)cs1 1748552746 HKEGKBJLTJFNPX-UONOGXRCSA-N 444.992 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC[C@@H]1C 1749054037 OECZVELKEGQPNG-YBJWPOLQSA-N 442.991 4.736 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)s1 1749226095 NPLQPSAEXQZOBO-UHFFFAOYSA-N 425.396 4.599 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1Br 1749387147 SNLVFQIBZQUOLZ-GOSISDBHSA-N 433.394 4.775 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CCc1sccc1C 1749528572 VMAIMSGLJSSHPK-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CSCCS1 1749529463 DJEFVBWKHHZXSF-FQEVSTJZSA-N 446.686 4.917 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(Cl)c1 1760146515 OLVWREGSNJTNDU-UHFFFAOYSA-N 446.780 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1760323290 BVHYYFDBYJAQAD-REWPJTCUSA-N 439.560 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760415952 PNKCIRLDRZBMMJ-NQIIRXRSSA-N 428.552 4.604 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](OC)C1 1760423700 JECDJEQIHSNISQ-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC1(C)C)C1CC1 1760469360 GDTJMALAIQDPMX-AWEZNQCLSA-N 431.378 4.917 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(C(C)C)CC1 1760503574 BWSAXPHPPKVQML-UHFFFAOYSA-N 433.394 4.783 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C(C)C)CC2)C1 1760539769 VMMZESMREZMKPY-IBGZPJMESA-N 445.405 4.925 30 10 IJEE CS[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1771399514 DKSVHJOIFRZXKO-FXAWDEMLSA-N 437.617 4.504 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCCC1 1771449746 ATVGSYYBUQJSOD-LJQANCHMSA-N 440.661 4.659 30 10 IJEE Cc1cccc2c(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c3c(nc12)CCC3 1859649295 JRDBPCWPPASORK-UHFFFAOYSA-N 444.498 4.890 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccccc4OC)oc3c2)nc1C 1859737276 VTXCBLBGXCOTLC-UHFFFAOYSA-N 449.488 4.863 30 10 IJEE CCOc1ccc2c(=O)c(-c3ccccc3OC)c(C(=O)Nc3ccccc3C#N)oc2c1 1859770426 PZKXWZKACXWZMS-UHFFFAOYSA-N 440.455 4.991 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)ccc1O 1862436258 OXFWPTZOONQUHT-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862447692 WIEKMEUUZGRCKD-NRFANRHFSA-N 447.874 4.817 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1C(=O)O 1862459012 ABNFTPVHIWPSFM-IBGZPJMESA-N 447.409 4.571 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862480002 VOWVKJGQCPWKHR-JWNTYJGQSA-N 447.531 4.939 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2c(Cl)cccc2Cl)c1 1862498450 IVLJNBVJBVMNJF-IBGZPJMESA-N 434.319 4.571 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc3ccccc23)c1 1862562117 YBRGNALMFTUKBU-XMMPIXPASA-N 435.483 4.596 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2cc[nH]c2c1 1862596091 RUGWJTXHAHOZHH-HSZRJFAPSA-N 448.519 4.659 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1862676160 BYAROTLDJRAJMS-NRFANRHFSA-N 432.407 4.512 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862680539 DWTODJSEZBHUOE-SFHVURJKSA-N 433.863 4.572 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862725942 VJKWAAMVAKATNE-NPMXOYFQSA-N 449.453 4.591 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2cccs2)c1 1862736542 JSRCBTZXUVFSMV-NRFANRHFSA-N 448.500 4.786 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC)cc1 1862741465 SRLYSUFEFMKDGB-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862746306 CNSLPSGDVHWDAQ-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE COc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862804732 JMXKMTAUKHIUHZ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)CCc1ccc(-c2cccnc2)cc1 1866179205 SLGVZYRTGGHVPU-UHFFFAOYSA-N 425.467 4.731 30 10 IJEE CCCCN(CCCC)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccc(OC)cc2)n1 1870021251 RPEFJLOKHNVZET-UHFFFAOYSA-N 446.555 4.806 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)c1 1871394479 AICNYJHHCNAYJE-QFEZKATASA-N 443.499 4.584 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871425054 FDTRLYOVMGAKJP-ACMDDDSKSA-N 445.471 4.726 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCN(C)CC2)n1 1871504297 DNLZCQJIWQGDGC-UHFFFAOYSA-N 439.652 4.685 30 10 IJEE C=CCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 1871594398 SQFCHKANKVIOKD-UHFFFAOYSA-N 442.917 4.746 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 1871949701 UUQZOQLUMBGLKC-OAHLLOKOSA-N 433.382 4.649 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871960075 XICUXHUYFSNDAY-KDOFPFPSSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871973014 WKYHCIMNOWGLHF-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872168710 MGWQZVVSXQVYOX-FQEVSTJZSA-N 444.597 4.686 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCC)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872182987 FBEVRRCUBKLOOR-KNQAVFIVSA-N 438.634 4.837 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872474248 DQRDQYVFTNRCGT-HSZRJFAPSA-N 428.598 4.788 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c([N+](=O)[O-])cc1OC 1872783923 LNXQQWUMAOGPAD-MRXNPFEDSA-N 437.477 4.842 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874252056 DCOTXPOUBOYPAC-PXLXIMEGSA-N 425.514 4.501 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874279293 DFYOIHVGUNLXFC-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874283213 VEHCGHWHGDFKIX-ZMOGYAJESA-N 440.956 4.965 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874307800 PXAVETGHXSRIRT-PCLIKHOPSA-N 433.581 4.948 30 10 IJEE OCCCSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(Br)c1 1874408966 YFJVHZLFUUEQDM-KGENOOAVSA-N 437.407 4.520 30 10 IJEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874422625 WDLOQJYIAUIARU-SRZZPIQSSA-N 430.555 4.583 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)c1 1874425345 CZYILOUIJAXFIW-PCLIKHOPSA-N 427.533 4.867 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1O 1874437207 PHERJXWKRRMJMC-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874476539 QCDTUPNZFCDAJK-BUVRLJJBSA-N 440.569 4.821 30 10 IJEE CC(C)c1nnc(SCCO)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874517409 RTZAQSCXPJJBJU-YDZHTSKRSA-N 430.961 4.601 30 10 IJEE CCCOC(=O)COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC 1874593636 UCZITSVBKAHGJO-ONNFQVAWSA-N 433.298 4.686 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC 1874611656 PESBTIZANIYWIP-VMPITWQZSA-N 437.870 4.818 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)c(Br)cc1OC 1874706400 FUWFAPDDMQSLDN-SOFGYWHQSA-N 449.297 4.686 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cncc(C)c1 1875151320 GCCCSUATASIDIG-QPJJXVBHSA-N 431.444 4.633 30 10 IJEE Cc1c(C(=O)NCC#CCN(C)Cc2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 1891774364 RBTDNICPBFRVBI-UHFFFAOYSA-N 448.570 4.713 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2N(CCC(F)(F)F)Cc2ccccc2)OC1(C)C 2004974360 JKJBJPQXLOLJOK-UHFFFAOYSA-N 440.702 4.993 30 10 IJEE C[C@H]1CN(c2cccc(Br)c2C#N)C[C@H](C)N1C(=O)OCc1ccccc1 2006297729 XUBQMOWXMOTSPK-HOTGVXAUSA-N 428.330 4.557 30 10 IJEE CC#CCCC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2018329323 HLEFINZMLQJONL-JYFHCDHNSA-N 427.633 4.718 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2037224739 QQYKFWLEOCTCRP-YLNUKYHNSA-N 443.544 4.728 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCOC2)C1 2038664252 BRXGZBPQSRDEJC-UIOOFZCWSA-N 439.600 4.884 30 10 IJEE COc1cc(C=C2COc3ccc(Br)cc3C2=O)cc(Br)c1O 2040499353 IALKYZYBMOAKNL-UHFFFAOYSA-N 440.087 4.585 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 2041554277 WHAGJBHOHKAZHV-CHZKFRDHSA-N 446.632 4.526 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2F)c1I 2080914545 VXZAQARXVBSLTA-UHFFFAOYSA-N 438.084 4.868 30 10 IJEE C=CCC1(C(=O)N(C)[C@@H](C)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2130037963 BDKCWTMMDOEBOU-ZDUSSCGKSA-N 443.407 4.843 30 10 IJEE C#Cc1cccc(N(CC)c2ncc(I)cc2Br)c1 2133382336 UHLCVEWDLYJQIV-UHFFFAOYSA-N 427.083 4.588 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3ccccc3OCc3ccccc3)c2)OC1(C)C 2134986261 JELAAQFWDBMYSF-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE C#CC[C@H](C[C@@H](NC)c1ccc(Br)cc1I)C1CC1 2142289309 YDCWXFAGWCXQCM-MLGOLLRUSA-N 432.143 4.754 30 10 IJEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)c(Br)c1 2156284071 JALJIGOFXFKLQL-KNQAVFIVSA-N 426.358 4.556 30 10 IJEE COC[C@@]1(C)CCSC(=Nc2c(Br)cc(Cl)cc2Br)N1 2157921471 HYMFIVKDJHXBED-CYBMUJFWSA-N 442.604 4.984 30 10 IJEE Brc1ccc(Br)c(CN=C2N[C@H](c3cscn3)CS2)c1 2175636862 PZRJYGUNISLPFL-LBPRGKRZSA-N 433.194 4.602 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1Br 2180920255 LZQLSGSMKJOHOV-CQSZACIVSA-N 449.267 4.713 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccc(C#N)cc2Br)c1 2181099530 CPTWZXOUNIGXTL-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1C(C)C 2224265405 GRKHJWXOEJEUED-YOEHRIQHSA-N 429.403 4.737 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1ccc(C#N)cc1Br 2226203166 WAPIREQLEKMILP-CYBMUJFWSA-N 430.293 4.767 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)c1 2232306298 LOFOGNZZHKRQBH-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCC1 2248635190 GFPQVFFBAVHTCH-UHFFFAOYSA-N 436.557 4.997 30 10 IJEE CCN[C@H](C#Cc1ccccc1F)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255274507 ZKBMWAHEPCHUOE-PKTZIBPZSA-N 440.559 4.656 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)CC[C@H]1C 2261824619 WCQMRJYOLCXVJV-KBMIEXCESA-N 447.572 4.657 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1 2267457825 RSIXPCHGQKMJST-UHFFFAOYSA-N 444.381 4.709 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@@]1(C)NC(=O)OC(C)(C)C 2296215953 GANQZNQMSKJZRP-WOIUINJBSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1C(=O)C#Cc1cccc(Br)c1 2296219567 PNHCWDTWMILHPW-GOSISDBHSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](O)C#Cc3ccc(Br)cc3)CCCC[C@H]12 2296276200 FPRQOBVFGIURBE-NNMXDRDESA-N 434.374 4.731 30 10 IJEE CC[C@@]1([C@@H](C#Cc2ccc(Br)cc2)NC)CCCN(C(=O)OC(C)(C)C)C1 2296289888 WSVGWMDKDBMFIA-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2296298455 KIBVNJKALCUTER-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C 2296299277 SUHCBFQGOFNSBB-NNMXDRDESA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2296300073 CNCHOTUMOQDXDM-VQTJNVASSA-N 435.406 4.958 30 10 IJEE Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)c(C)c1 2297378339 BYXSPXWAKWCBKW-UHFFFAOYSA-N 442.537 4.990 30 10 IJEE C=CC[C@H](O)[C@H]1CCN1c1sc(Br)c(Br)c1Br 2299413809 USMSRGQFIKCVOS-RQJHMYQMSA-N 446.002 4.551 30 10 IJEE CCCN[C@@H](C#CC1(SC)CC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299642510 IIBRQFKIPOBZGX-FCHUYYIVSA-N 446.657 4.754 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304186789 MFWYNQHBKWHLTP-JKSUJKDBSA-N 434.541 4.606 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317352459 ZOEZIOYFZQTNFA-WYMLVPIESA-N 431.386 4.832 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3nc5ccccc5[nH]3)CO4)C2=O)cc1 2322192725 RGMQEQYRCSXDKP-UHFFFAOYSA-N 439.471 4.540 30 10 IJEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2cc(OC)c(OC)cc2OC)C3=O)C1 2322341222 DUNPFSXOUKLTQM-UHFFFAOYSA-N 439.508 4.589 30 10 IJEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323154354 ZRSOOKWJJBLERH-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 2323369803 QAWPAQVDZQTZMT-SFHVURJKSA-N 430.460 4.747 30 10 IJEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(Br)c1OCCO 2323404053 OUKBQBXPEINGJG-UHFFFAOYSA-N 427.294 4.878 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c(OC)c1 2324400454 FBBQVGZGOHZXDS-INIZCTEOSA-N 445.471 4.726 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc4c(c3)OCO4)c2C)C1=O 2325182561 LPKWBGZDSZXZTL-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE COc1ccc(C=C2Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)cc1 2325200782 YSNFJVJFITUCGB-UHFFFAOYSA-N 426.428 4.539 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325739420 CHFPYAHTIPWBQD-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1[N+](=O)[O-] 2325745696 JXDVTVRBSJUWEZ-UHFFFAOYSA-N 445.427 4.790 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccc(F)cc1 2325746627 USBFOJQJMPSMFU-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(N(C)C)cc1 2326382426 VQOCXICUWSRTFC-UHFFFAOYSA-N 437.613 4.967 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc[nH]2)cc1 2328570570 TZQUWENEBWNXAO-UHFFFAOYSA-N 431.565 4.883 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1C(=O)O 2328945563 SXPZFJVBACRRPY-UHFFFAOYSA-N 434.565 4.929 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)cc1OC 2328959732 SHHDGHKDLSNDGK-UHFFFAOYSA-N 436.581 4.858 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccccn1 2330246340 PWYNYJYZIUDIDU-UHFFFAOYSA-N 448.596 4.717 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1 2330598806 UJJIXOADRNNRQU-UHFFFAOYSA-N 427.599 4.630 30 10 IJEE CC(=O)NCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(C(C)C)cc1 2330767453 RKFSMIGBWOESQT-UHFFFAOYSA-N 435.597 4.829 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccs2)cc1 2330824264 RRMWLNJZWDUVPM-UHFFFAOYSA-N 427.599 4.850 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2330879305 SLROEYXKFWCPGT-QHCPKHFHSA-N 436.504 4.721 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3OC)cc2)cc1 2330952028 QBYHVOPIYVSRNZ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331286641 TXOQSKRQCFBAPH-UHFFFAOYSA-N 428.488 4.946 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)c1 2331394488 MGRGUOFKBYTOEF-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)C)c1 2331669743 MJUKDIBSXWUZBA-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339534141 BHWLWEIKIRNMFX-RTBURBONSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339594827 AKMUKVYTYHUHFF-SFHVURJKSA-N 444.381 4.751 30 10 IJEE CC1(OCc2ccc(I)c(Br)c2)CCC(=NO)CC1 2349803726 MUBUYLMZACMJGB-UHFFFAOYSA-N 438.103 4.733 30 10 IJEE CC[C@@H](N[C@@H]1CN(Cc2ccccc2)CC1(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845148 YODNVMYVZQNPPD-JWQCQUIFSA-N 448.460 4.937 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)cc2)cc1OC 34954456 LVNLUTZZYDDUKO-SDQBBNPISA-N 433.416 4.727 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 36308476 XARZHEYZWPKPRX-QHCPKHFHSA-N 433.552 4.501 30 10 IJEE CCCCCCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(Br)c1 101284699 GTTZXCSGWNVIQY-GOSISDBHSA-N 448.365 4.628 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2cc(OC)ccc2OC)C1=O 103200691 NRUOUHVOMVPMOP-UYRXBGFRSA-N 425.506 4.556 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925561 KKOMKKXSPCTSBH-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(C)c1 169972280 PEYLOXRSGOFQJH-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)s1 169982381 QDQVVULZDBHFHS-GOSISDBHSA-N 439.562 4.670 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccs2)cc1 169988505 RDTROUXRIHSXMX-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(F)cc2)s1 170061171 CKPQMJBKQJIQTA-SFHVURJKSA-N 444.434 4.960 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1 170082404 JRKZYWFFAVUPEL-HSZRJFAPSA-N 435.426 4.772 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170083550 QLJYNNJPBNWRJF-HXUWFJFHSA-N 445.862 4.705 30 10 IJEE CC(C)Oc1ccc(C2=C(N3C[C@@H](C)C[C@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170085824 QRVQAENRTSYJCM-OALUTQOASA-N 443.547 4.608 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCOC(C)C 170122118 HIVDSVKTYSEFQS-XMMPIXPASA-N 445.515 4.852 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2OC)c1 170126092 WNEVQMAFZIAPLS-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(N(C)C)cc1 170129143 UNHMKTJSESIWFH-NRFANRHFSA-N 442.943 4.793 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 170145060 IPEWVTDQGFMZHG-XMMPIXPASA-N 442.515 4.956 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(OCC)c1 170148892 IKBNRHWMSZSJPR-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)cc1C(C)C 170177841 INJSOQHPRUXHGO-HSZRJFAPSA-N 446.503 4.975 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCO2 170188643 IDFDATCZPZTAIS-JOCHJYFZSA-N 446.890 4.843 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)c1C 170225726 OOTBMTQNQPKKPL-XMMPIXPASA-N 441.483 4.858 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1 170242382 VXTPJFBLIXYWHL-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCO2 170254368 CDAZFTKVYUJWBN-DEOSSOPVSA-N 436.467 4.886 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1CCN(C)C 170318526 VTUJZIIQRGWVCG-SFHVURJKSA-N 444.940 4.596 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCOc2ccccc2Cl)nc2c(C)cccc12 170577183 CIKIYYFPQBDWNB-UHFFFAOYSA-N 445.910 4.970 30 10 IJEE C[C@H](C#CC(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C/C1=CCC[C@H]([N+](=O)[O-])C1 200637451 DBVXCYXESDPNAF-JDLLSSCTSA-N 444.487 4.598 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccccc2OC)nnc1-c1ccc2ccccc2c1 253567734 KJVLOCKBWLXAJL-UHFFFAOYSA-N 444.560 4.701 30 10 IJEE CC(C)(C)c1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 254745939 FQBWXBMYQJLFMV-UPHPYTHYSA-N 425.550 4.646 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 303635330 PNEIGHYNZRSIGE-DLLPINGYSA-N 432.545 4.908 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1Br 460789653 YQSFXCPTYLPMDB-MRXNPFEDSA-N 426.362 4.800 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)nnc1-c1ccco1 482520138 QPXPABTVNWFFAI-IRXDYDNUSA-N 426.542 4.799 30 10 IJEE Cn1cc([C@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C(F)(F)F)cn1 487738814 MRGSSTOOVPSXTP-SFHVURJKSA-N 434.805 4.771 30 10 IJEE Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 504075945 ZSPQIGTUHYMJPT-XMMPIXPASA-N 436.512 4.839 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 504076560 NWMFAACWJSMISK-HSZRJFAPSA-N 431.508 4.545 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(C)c2)cc1OC 526516700 QJFXFYOPKVTKNO-XMMPIXPASA-N 426.472 4.941 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)cc1 533888993 OHLVBCCZAMFYBE-UHFFFAOYSA-N 434.521 4.869 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 619817006 LADOKWHAZADUKC-NSHDSACASA-N 448.426 4.550 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1 778578097 BTPGGWXUTGCBBY-RUZDIDTESA-N 428.532 4.855 30 10 IJEE CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807249809 HVORMKXLJXJGJB-UHFFFAOYSA-N 443.981 4.667 30 10 IJEE C=CCN(C(=O)c1ccc(C2CC2)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124682000 CIUNHKKKQSDMSG-UHFFFAOYSA-N 438.574 4.924 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccccc3OCc3ccc(Cl)cc3)CC2)c(F)c1 1125640685 DTTCUXLMFNLBCB-UHFFFAOYSA-N 449.913 4.892 30 10 IJEE Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1126461329 GMNWBVOAGXFDGZ-RRPUWOKSSA-N 435.955 4.668 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2cc(OC)ccc2OC)C(C)(C)C)c(OC)c1 1128777780 UYFUEKAOTLGNIS-UHFFFAOYSA-N 427.541 4.647 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2cccc(C(=O)N3CCCC3)n2)cc1 1128919443 AYHULMZWJNFWNX-UHFFFAOYSA-N 428.517 4.593 30 10 IJEE N#Cc1sc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccs2)nc1Cl 1128933042 HJFCCYWEZLULNK-HUUCEWRRSA-N 428.970 4.584 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(OC)c(Br)c(OC)c2)C(F)(F)F)cc1 1128970038 BXAOHIKPSFWORN-QGZVFWFLSA-N 443.215 4.908 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 1129702764 KKMCUMJOACTSAW-HZPDHXFCSA-N 430.298 4.527 30 10 IJEE C#C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccc(Cl)cc1 1129722726 NQBGFOATTQUVFV-LJQANCHMSA-N 436.360 4.571 30 10 IJEE C=C[C@](C)(CC)C(=O)N1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1134234922 SRIIALLJKZRKPI-XHNVNVPESA-N 428.573 4.745 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C 1141378833 IJYQTZVLMUDJTI-NRFANRHFSA-N 426.944 4.951 30 10 IJEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1-c1cccc(Cl)c1 1153857513 FFLRWXOFNSKUCI-DOTOQJQBSA-N 445.972 4.866 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1ccc(Br)c(F)c1 1169242861 BYWFCIDSGWDCPB-CQSZACIVSA-N 425.367 4.685 30 10 IJEE C=CCn1c(SCC[C@@H](O)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1187947520 BGMNJGPEQYBLOA-MAUKXSAKSA-N 426.607 4.985 30 10 IJEE C=CCn1c(SCCCC(=O)NCCC)nc2sc(-c3ccccc3)cc2c1=O 1188529831 DDGJTUAJVFSQCZ-UHFFFAOYSA-N 427.595 4.710 30 10 IJEE C=CCc1ccc(OS(=O)(=O)Cc2ccc(Cl)cc2Br)c(OC)c1 1207911959 WVTLDFGUNFTHQI-UHFFFAOYSA-N 431.735 4.748 30 10 IJEE C=CCCCCCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1228041468 XNUJWHVKPDTHHB-SFTDATJTSA-N 437.625 4.617 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1)[C@H]1CCCc2ccccc21 1229370262 IUAQCIDIOYWPSV-UWJYYQICSA-N 430.508 4.529 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 1246370146 JGECJLAKXMAAAZ-GOSISDBHSA-N 432.337 4.565 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2cc(C)cc(C)c2)c(C(=O)OCC)c1C 1264357626 UZHQEGPKFVGCGQ-UHFFFAOYSA-N 429.538 4.764 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)CCCN1C(=O)OC(C)(C)C 1265217656 BGKSIHHKQDOGSN-OAQYLSRUSA-N 432.521 4.629 30 10 IJEE N#Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 1272170917 GABZJPPUKKQPGO-OAQYLSRUSA-N 448.320 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)Cc1cccs1 1286274523 MYVVAOXLWCVENM-QZTJIDSGSA-N 430.581 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H](OC)C(C)(C)C 1286302299 CXKMGRBCHPMZDW-NQIIRXRSSA-N 447.023 4.771 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286317472 PWFAQDONFKCZLD-UKILVPOCSA-N 433.644 4.936 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286341903 JZKOLSLJWQCALG-MHECFPHRSA-N 428.552 4.612 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1286368989 XUKHFGJUOJZICD-QFIPXVFZSA-N 433.600 4.988 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccsc1 1286562461 ABORJMWXCLDJJI-NZQKXSOJSA-N 438.597 4.845 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCC[C@H](COC)C1 1286604357 JLXNYPHAJCAZTE-NRFANRHFSA-N 449.599 4.647 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C)CCCC2)CC1 1286637182 XGMGCUBOEIDISW-UHFFFAOYSA-N 427.980 4.598 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN(C)[C@H](C)CC)CC1 1286651782 LKLPJJUFLMZZKG-MOPGFXCFSA-N 429.584 4.690 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCC[C@@H]1C)C1CC1 1286732269 OSWOJNAEZIRYEY-HKARXFIJSA-N 430.980 4.777 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1C 1286748720 ZGGKCPKPUHXBGO-FZKQIMNGSA-N 430.325 4.948 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2CCCO2)CC1 1286799234 RGIGLDHUHOFIIL-QFIPXVFZSA-N 438.616 4.875 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C1 1286808453 WODJLWBPIWNJFS-SIKLNZKXSA-N 433.021 4.589 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccccc2Cl)C1 1286812958 VDFKTMRTHMCSJY-IBGZPJMESA-N 428.989 4.608 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286827633 VFVHWZYCOARREI-LJQANCHMSA-N 446.983 4.732 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCC2)C1 1286836141 IHJNSQGSXAYTTI-SFHVURJKSA-N 447.649 4.650 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)OC(C)(C)C 1295768741 WPSMQILAQQEIHY-GOSISDBHSA-N 444.881 4.796 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1)C(=O)OCC 1298023899 FQWIITOZTRJXEB-MRXNPFEDSA-N 432.542 4.876 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1cccs1)N(C)C 1300643938 POYRJJIGKPXCHP-HXUWFJFHSA-N 439.654 4.703 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C)CCOCC1 1301306083 YSNXLLAOCKWTDP-UHFFFAOYSA-N 432.996 4.690 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CCN(C)C(=O)OC(C)(C)C 1301350802 AERJPCYURNNGDH-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCN1CCCCCC1 1301371334 BRIIBNYHPFOJFB-UHFFFAOYSA-N 444.421 4.762 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nc(C2CC2)cs1 1301396677 AEPUBTWLLPWGEW-YLJYHZDGSA-N 427.618 4.757 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nccs1 1301403349 XYRJRAXBNIEMKA-TZIWHRDSSA-N 437.613 4.667 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)OC(C)(C)C1 1301597561 SOBSISXGIBNCIP-SFHVURJKSA-N 437.613 4.725 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1301620712 IZUKJMVGDVZEIS-HXUWFJFHSA-N 425.602 4.520 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 1301624583 VSINUAKHLFVSPL-FHWLQOOXSA-N 449.665 4.894 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2ccc(OC(F)(F)F)cc2)Cc2ccccc2)c1 1307574625 TYMYEEVPVKABTJ-UHFFFAOYSA-N 438.449 4.890 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1coc(-c2ccc(C)cc2)n1 1308237891 FRVCSJTZXOGSLZ-UHFFFAOYSA-N 425.326 4.757 30 10 IJEE C#CCOc1ccccc1NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1310573190 IAEKYQCBKAXRJD-GOSISDBHSA-N 435.524 4.749 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nnc([C@@H]2CCCO2)s1 1311123482 VXBNYVZLVBIRJK-AWEZNQCLSA-N 441.326 4.511 30 10 IJEE C#C[C@@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12)C(C)C 1312808012 JJBPZWJULTVXPD-QGZVFWFLSA-N 432.421 4.616 30 10 IJEE C=CCN(C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21)C(C)C 1352693832 HQHRCWUYRQWRNY-UHFFFAOYSA-N 446.473 4.857 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(C#Cc3cccs3)c2)CCCN1C(=O)OC(C)(C)C 1353550579 CHUAIOHOJOFWIN-VWLOTQADSA-N 434.561 4.879 30 10 IJEE CC(=O)[C@H]1CC(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)=NN1c1ccccc1 1354566402 ABDILWUUVHBRJD-JOCHJYFZSA-N 442.450 4.652 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC 1357166254 OBNHUOATKZVMAC-XGICHPGQSA-N 427.460 4.971 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1Cl 1358936609 RSOUQJRMLUPDTI-WIYYLYMNSA-N 445.007 4.779 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC(C(C)C)CC1 1359061239 WIWQRTVHXXXTND-UHFFFAOYSA-N 426.630 4.658 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)c2c(C)noc2C)CC1 1359179711 CQQVMVDEQIWWOK-HNNXBMFYSA-N 441.526 4.958 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCCN2CCC)CC1 1359179834 HXPUYLMEGWQZLD-HSZRJFAPSA-N 425.596 4.675 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCCCC2)C1 1359209889 CDIAXDWOYRTAKH-UHFFFAOYSA-N 425.533 4.749 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCSC 1359220506 BDXSCKUYSDDADB-MSOLQXFVSA-N 437.654 4.894 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(OC)CC1 1359223931 AHIWZNANAHKBGK-JOCHJYFZSA-N 436.959 4.726 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1C 1359224494 TUOOKIHKCHZHIB-UHFFFAOYSA-N 449.386 4.523 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1359234909 FWNMLPLKPFMQJO-GOSISDBHSA-N 427.593 4.633 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C1CCCCC1)N(C)C 1360478309 IAIHSCJDBMZFEW-DVECYGJZSA-N 447.631 4.599 30 10 IJEE CCc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cnn1-c1ccc(OC)cc1 1360596977 ALBCHJDYYRQUOO-UHFFFAOYSA-N 442.544 4.973 30 10 IJEE C[C@@H](NC(=O)c1cc2ncc(Br)cn2n1)c1ccc(-c2cccc(C#N)c2)cc1 1435858280 DRMGRPZOGBDKLQ-CQSZACIVSA-N 446.308 4.521 30 10 IJEE C#C[C@@H](C)N(C)C(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 1436083754 LYSSKXAKVGUZGS-GFCCVEGCSA-N 446.395 4.693 30 10 IJEE C#CCOc1ccc(C(=O)N2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)cc1 1436584292 JVIIIOKDJRUASC-MRXNPFEDSA-N 443.316 4.620 30 10 IJEE CCC1(C(=O)Nc2cccc(C#N)c2Br)CCN(C(=O)c2ccccc2)CC1 1436896278 DAVPQLVGIQZSJJ-UHFFFAOYSA-N 440.341 4.592 30 10 IJEE CC#CCN(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(C)CC1 1450459113 AIRJHWCPDJHBRA-UHFFFAOYSA-N 444.575 4.956 30 10 IJEE C#CC[C@]1(C(=O)Nc2ncc(-c3ccccc3C)s2)CCCN1C(=O)OC(C)(C)C 1457166957 OPNVGDCXVNLNEO-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE C=CCn1c(Sc2nccc(Oc3cccc(C#N)c3)n2)nc2cc(Cl)ccc2c1=O 1458061254 OAZVZOPRJHYPBP-UHFFFAOYSA-N 447.907 4.841 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC(C)(C)N(C)c3cc(Br)ccc32)cc1 1459749399 RPDNGJXNMCLHAY-UHFFFAOYSA-N 429.358 4.818 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C1 1461139988 NYMMJLRVBXCBCV-FQEVSTJZSA-N 426.626 4.883 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)c1ccc(Cl)cc1 1463835407 TYCMTUYGDJMHLT-LJQANCHMSA-N 434.742 4.909 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C 1465676185 DEQVZJRFECVIGF-DYVFJYSZSA-N 425.356 4.746 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](COC)c1ccc(F)c(F)c1 1466817131 VYQIRRDQWSNDNC-KRWDZBQOSA-N 441.272 4.801 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](C)Oc3ccc(Br)cc3)cc21 1467381207 CEIOMGHDGZXZQS-AWEZNQCLSA-N 429.318 4.574 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3c(C)cccc3C)CC(C)C)ccc2c1=O 1469337338 ZFPMVARMKBNBGU-UHFFFAOYSA-N 435.593 4.786 30 10 IJEE C=C(CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1)C(=O)OCC 1472921894 XHMIHIICKGQTON-UHFFFAOYSA-N 429.929 4.808 30 10 IJEE CCCOc1ccc2c(c1)CCN(S(=O)(=O)c1sc3ccc(C#N)cc3c1C)C2 1475119594 GVRLKNULDZXBGV-UHFFFAOYSA-N 426.563 4.617 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](c3ccc(C)cc3)C2(C)C)cc1 1475974084 QXQAWHACCUNFNF-JOCHJYFZSA-N 441.597 4.602 30 10 IJEE C=C[C@@H](COC)NC(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1477909304 SOSWRJZHPUMKGA-FXAWDEMLSA-N 447.373 4.979 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N1CCCC1)C(C)C 1501549824 BAXZOGRCAWLQMS-NRFANRHFSA-N 434.613 4.950 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC1(C)C 1507532484 KZMWBZUOTIAVEL-XUVXKRRUSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](CCC)C1 1507555923 GCESLXPHIIHPRR-IBGZPJMESA-N 445.405 4.825 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(CCOCC)CC1 1507763604 DQVGFKJLANKRMY-NTKDMRAZSA-N 440.563 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C)(C#N)CC1 1507793075 BZJPMJRLQCROQK-XLIONFOSSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1c(C)noc1C 1507794035 GGYXDEUNJSSEHP-GGAORHGYSA-N 435.572 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507817254 RNHYLOOWSLGUBT-INIZCTEOSA-N 441.929 4.885 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCc2oncc2C1 1507871554 ZLMHGLKBTGDQNY-UHFFFAOYSA-N 448.354 4.555 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C(CC)CC)N(C)C)CC1 1507898316 QGVRWXCCVKSPCC-HSZRJFAPSA-N 425.621 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1507910846 DANOUHHTXPCAAL-LJQANCHMSA-N 439.995 4.942 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(F)(F)F)CC1 1507925337 AFMLLPMUOXUYTM-UHFFFAOYSA-N 444.505 4.534 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1507935643 RZKYXWNMCPVOSY-OYRHEFFESA-N 429.653 4.618 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1F 1508037065 IXEMMLBTNYXLES-QGZVFWFLSA-N 440.588 4.958 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCOC1 1508037552 YSCYZUUPHVOKQY-MRXNPFEDSA-N 447.004 4.879 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1508053209 VRXOGXRWKZOQIO-UHFFFAOYSA-N 436.629 4.516 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H](C)CC#N 1511915538 BXJOZEVLWFRDIG-VKJFTORMSA-N 440.523 4.704 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCN1CC 1515632020 DRSVYPHRNHJOJM-OAQYLSRUSA-N 434.613 4.779 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(Cn2cc(Br)cn2)s1 1519837218 STQQNZZOCGAITO-UHFFFAOYSA-N 430.371 4.626 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C(C)(C)C)cc1 1523657616 WNAADQBYIJASKZ-NRFANRHFSA-N 435.543 4.916 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl 1524022900 YYKIJRGDMUSIFY-JOCHJYFZSA-N 438.955 4.684 30 10 IJEE C=CCN(C(=O)[C@@H]1CCc2cccc(OC)c21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524296436 RNPZCIAZWJMRBV-GOSISDBHSA-N 435.505 4.976 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 1525054474 NNXWVRLWVFQHMA-OAQYLSRUSA-N 433.305 4.806 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 1525419449 AQIQWPYDBCCUGT-PGRDOPGGSA-N 430.390 4.625 30 10 IJEE N#Cc1sc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)nc1Cl 1525765315 AXSKUAKMLWYJCE-UHFFFAOYSA-N 439.747 4.735 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2nnn(-c3ccc(OC)cc3)c2C)C(C)(C)C)cc1 1529499255 DNKHRYRYPVFRDI-UHFFFAOYSA-N 434.540 4.590 30 10 IJEE C#Cc1cncc(C(=O)Nc2ccccc2Oc2cccc(I)c2)c1 1533023808 OSRUFYYHPKCERV-UHFFFAOYSA-N 440.240 4.712 30 10 IJEE C/C(=C\C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)F 1537418756 OGTQPSYRBJYRCV-YBHKSSGVSA-N 426.341 4.971 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1538235093 BIUBGOTVAQDJKC-IECBHUPTSA-N 432.568 4.623 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](CN(CC)CC)C1 1539050077 YBKUWUNGFMGMLP-JOCHJYFZSA-N 444.627 4.773 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN1C1CCCCC1 1539148608 QVHQHZMBCXVTSL-LADGPHEKSA-N 449.643 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1539631537 MAAJLEICBOGIFX-KIQACKJLSA-N 446.542 4.629 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCN2CCCC2)CC1 1539846711 UYSAMGQEIHXOBQ-UHFFFAOYSA-N 428.024 4.945 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)CCC)CC1 1539855661 BJVAIXZHIPSDFV-RUZDIDTESA-N 426.605 4.862 30 10 IJEE C=CCC[C@H](C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)c1ccccc1 1539929803 BUZFRPWUGFXLCE-NRFANRHFSA-N 439.357 4.738 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OCCC)CC1)c1ccccc1 1539939780 KELQKXVCJHNTOP-SMIHKQSGSA-N 438.616 4.927 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1539958831 BALHRVUMMYCUFR-IBGZPJMESA-N 448.571 4.794 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(F)(F)F)c2)C1 1540886383 BXPMQKDIASUKOB-SFHVURJKSA-N 432.446 4.695 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2c(Cl)cccc2C1 1540918998 BQDUHKBQSRYOAL-UHFFFAOYSA-N 446.045 4.769 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2CC)cc(OC)c1OC 1542445401 DYWNJKYGRBVKJE-UHFFFAOYSA-N 439.943 4.764 30 10 IJEE CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1547011048 HUMDLWJJJVXPKF-SFHVURJKSA-N 440.592 4.604 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1556331278 ZTQNKAYLOBGAPL-LJQANCHMSA-N 439.560 4.611 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 1556907355 NKDTYKLQIDVNMG-XZOQPEGZSA-N 447.922 4.723 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(Br)cc1F 1557840080 YYFIJHDHWHHFBR-UHFFFAOYSA-N 444.304 4.611 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@H](c2ccccc2)N(C)C)cc1OC 1560446517 OTKXLVDIQSTFCX-IIBYNOLFSA-N 433.390 4.804 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(Br)cnc1-n1cccn1)c1ccccc1 1562601281 CBUCFCKOHKTHII-QGZVFWFLSA-N 426.318 4.859 30 10 IJEE C[C@@H](NC(=O)Nc1cc2oc(=O)n(C)c2cc1F)c1ccc(-c2cccc(C#N)c2)cc1 1562926372 HPGKIMXRRCCUDK-CQSZACIVSA-N 430.439 4.692 30 10 IJEE Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2)cc1 1564358871 BYAJOQHOXBVMAI-RUZDIDTESA-N 438.531 4.529 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 1564992577 YJATTWDXBCYGMQ-UHFFFAOYSA-N 434.433 4.991 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)s1 1570079461 UVLDZOZRRBYUCT-HNNXBMFYSA-N 431.359 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](C#N)CCc2ccccc2)C2(CCCCC2)C1 1586054152 FRLFQDVPBRUBFB-NRFANRHFSA-N 425.573 4.541 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCC2)C1 1587758583 CUAOSNAIGFNBTD-FQEVSTJZSA-N 441.620 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(OC)c(C)c1 1589559324 QBLBSPGBBVUXHF-RDGATRHJSA-N 438.616 4.945 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1593600679 ZUYDWKGIAZBPEK-IAGOWNOFSA-N 447.986 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3cccc4cccnc34)n2CCCN(C)CC(F)(F)F)CC1 1594070664 KFGYHUVEOORVBM-UHFFFAOYSA-N 444.505 4.534 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CCC1 1594788512 OHSSHUOMYOOTSY-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC1(OC)CCCC1 1595093190 CQXPNNQQPCHNEU-UHFFFAOYSA-N 442.567 4.672 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)c1c(C)noc1C 1595108710 IPWYTHPLYBMEMQ-SFHVURJKSA-N 428.540 4.941 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCc1c(C)noc1C 1595115542 KQNVOQGKMKTBNL-UHFFFAOYSA-N 428.540 4.689 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCCOC2CCCCC2)C1 1595707526 XELUPAFCYAPHTI-FQEVSTJZSA-N 428.552 4.605 30 10 IJEE C=CCCC[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccccc1 1598378955 BDRIDXQNJUOMGO-LJQANCHMSA-N 430.342 4.977 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)OC 1613125350 BLKFJGFEXHFADE-OPNQQPSUSA-N 443.567 4.748 30 10 IJEE C=CCn1c(SCCNC(=O)C2CCCC2)nc2sc(-c3ccccc3)cc2c1=O 1613425770 ALBHSJBQWXNWEO-UHFFFAOYSA-N 439.606 4.710 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCOc1ccc(I)cc1 1617458947 PZWAAMWYIYCTEY-YJBOKZPZSA-N 427.326 4.701 30 10 IJEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CC2(CC(C)C)CC2)cc1 1619316473 HHGIZKMUIPDRCP-UHFFFAOYSA-N 437.588 4.822 30 10 IJEE C#CCN(CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCCc2ccccc21 1620613490 HIPPORKRRSCKEN-OAQYLSRUSA-N 426.944 4.699 30 10 IJEE COc1cccc(CN2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)c1 1623680809 GLTQXIJMNCUMFW-UHFFFAOYSA-N 441.531 4.626 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1628519294 ZPXWHDFCLWWKCW-UHFFFAOYSA-N 442.559 4.807 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cnc(-c2ccccc2Br)s1 1630314856 YIRJSOASDJFWFC-UHFFFAOYSA-N 431.286 4.976 30 10 IJEE O=C(Nc1cccc(NCC(F)(F)F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 1634067792 HLYJDGKFDSQYHS-UHFFFAOYSA-N 447.314 4.652 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(F)c(F)c1 1634434585 DYJJLHGDGAGYCD-IBGZPJMESA-N 435.515 4.625 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1 1635491200 PVHXYAVSOHTRQK-DYESRHJHSA-N 445.387 4.567 30 10 IJEE C#C[C@H](NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1638463019 FKGZOYMSDGBGDW-FQEVSTJZSA-N 440.927 4.574 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)n(-c2ccccc2)c1C 1642929989 ATVKNDXGESMRPJ-HMMLOCITSA-N 448.611 4.556 30 10 IJEE CNC(=O)[C@@H](Cc1ccccc1)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 1643717511 AWVVBUKGJRIAND-LJQANCHMSA-N 445.466 4.990 30 10 IJEE C#CCOCCN(C)C(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1648264792 RYPXNNDJVFNEBD-KCZVDYSFSA-N 445.625 4.505 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(F)cc2C)c1 1653371117 RKNCCRXUSPFZSX-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE C#Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)cc1 1656605992 UPKAKDIUCRSKMC-DQEYMECFSA-N 434.580 4.949 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1)C1CCOCC1 1661191110 BKWFSYSRYZHMSJ-LJQANCHMSA-N 447.304 4.930 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)cc1 1661821596 NHGBYOUBXFONQE-UHFFFAOYSA-N 427.476 4.654 30 10 IJEE CC(C)N(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1666488223 GYWJDFQJNQCCOY-UHFFFAOYSA-N 427.751 4.573 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccnn2CCc2ccccc2)c1 1666991202 WIOHOJCVEUPXBG-UHFFFAOYSA-N 447.585 4.564 30 10 IJEE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 1671799041 ADJDHQMLLWAHHI-SFHVURJKSA-N 448.548 4.859 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@H](CC(C)(C)C)c3ccc(Cl)cc3)CC2)c1C#N 1679546785 FMDAGIYUDAFIQQ-LJQANCHMSA-N 446.020 4.986 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(Br)cc1C(F)(F)F 1681322801 JGTQQSWKEFZRHJ-UHFFFAOYSA-N 443.238 4.952 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CCCC1 1682311378 DLEPVFBGMLCRPJ-DHIUTWEWSA-N 439.600 4.859 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1683106272 CXHUFCVKIOXYRA-BHIFYINESA-N 431.502 4.503 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CCCC1(C)C 1684042591 GNZGXCKHOALUOV-UXHICEINSA-N 449.636 4.569 30 10 IJEE C#C[C@H](NC(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1)c1ccc(Br)cc1 1686920033 RLRNBJDSDPHQRU-KKSFZXQISA-N 429.358 4.652 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(C)(OC)C1 1689876883 LHCGQESMJIZHAJ-SFHVURJKSA-N 430.980 4.717 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OCCCC 1689954174 ODPLLYNIHMTSLE-UHFFFAOYSA-N 444.366 4.944 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1690238903 PATCPIWIKMNOEC-SSPYTLHUSA-N 449.599 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1C(C)C 1690241085 OIBZWMGOCWGWBG-ZEYPLWLESA-N 440.588 4.568 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1690313311 PZSWRTPEAFMAGO-UHFFFAOYSA-N 449.599 4.853 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690420812 SIUYCRIMBZZFIB-VJBWXMMDSA-N 438.616 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1690426550 RSGPYXZGNTXEKX-UHFFFAOYSA-N 445.571 4.561 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1cccc(O)c1 1690473947 MCODHCSVIVRXRP-CQSZACIVSA-N 430.350 4.905 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1690496011 JJRKEBQVSLRMTA-YPAWHYETSA-N 440.636 4.818 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@@H](C)C1 1690500261 PQZLZLYJIATZCX-HUUCEWRRSA-N 439.423 4.844 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690588211 MQMUKTBSPWSRFJ-LAUBAEHRSA-N 428.964 4.767 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@](C)(O)C1CCCCC1 1690602198 JWCMMYZCUFOAEZ-MHZLTWQESA-N 445.611 4.907 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(Cc1ccco1)C(C)C 1690663921 IEWKTXORIPMIJU-UHFFFAOYSA-N 435.572 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)Sc1ccccc1 1705479848 MOTDZAAHVBQEAI-GJZGRUSLSA-N 444.402 4.674 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCCCO1 1705509531 JUFWFOWPQGUVPZ-HNNXBMFYSA-N 437.407 4.578 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)c1nc(C)cs1 1705545794 NUMNNUNHXDEBES-CQSZACIVSA-N 444.402 4.654 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](OC)[C@H](C)CC)CC1 1705764609 GDGSGTSNXDGMHJ-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(C)CCCS2)CC1 1705778380 UNPLOJGRNMPBDC-QHCPKHFHSA-N 428.602 4.650 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1705782055 NITHOYKZZJYRDU-RTBURBONSA-N 438.469 4.806 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1705793151 NSZQYPMYNIHMML-NRFANRHFSA-N 428.024 4.799 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)=C(C)C1 1705826987 PCYQDMPXDRBKRF-UHFFFAOYSA-N 449.368 4.986 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)C2CCC(C)CC2)cc1 1705911026 WFZPNBKKRFMWCG-UHFFFAOYSA-N 431.584 4.892 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](C)C1 1705941660 QPANYMAUXVWQSH-OKILXGFUSA-N 427.401 4.785 30 10 IJEE C=CCSCCn1c(N(C)Cc2c(C)noc2C)nnc1C1(c2ccccc2)CCC1 1705948766 FAJVVOOJJDAMMM-UHFFFAOYSA-N 437.613 4.909 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cc(Cl)ccc2OC(F)F)o1 1707353721 CIERBWRBVFVJNY-UHFFFAOYSA-N 447.873 4.890 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CC1 1709875512 CSAHOMPOVGVRRT-IRLDBZIGSA-N 439.629 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722472337 DEGAANXMVBURSO-HHHXNRCGSA-N 447.627 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H](C)C1 1722493882 ALQXOYCHFMIYDN-NOXFTYBFSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1722504859 HWEHEIXAQFCXMP-LEEZEASISA-N 447.583 4.836 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOC)[C@H](C)C1 1722518797 NGSDTCJYZYDHJS-MRXNPFEDSA-N 446.020 4.546 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1722528325 YPHFTSSUYVIKRH-GOSISDBHSA-N 439.373 4.904 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(C)CC2)CC1 1722581632 KANFUZXHDOHLGV-UHFFFAOYSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1722591995 PFMSLXTXDSIZKP-UHFFFAOYSA-N 443.595 4.966 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(-n2ccnc2C)c(F)c1 1722663884 KFWFLUVCGVNKIT-UHFFFAOYSA-N 436.560 4.776 30 10 IJEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1728037884 DTJCUTXOYXPSMT-UHFFFAOYSA-N 443.020 4.900 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740568009 RKEDWBLTCLVADY-IRXDYDNUSA-N 430.394 4.856 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CCC#N)CC1CC1 1740583359 YZMJYCQAAJKDAJ-UHFFFAOYSA-N 446.780 4.904 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1C/C=C\CC 1740734435 DURWAFCDMAEXDR-IZRJCCQOSA-N 429.362 4.578 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740845833 CXDKHHKRRGALOX-OAQYLSRUSA-N 439.510 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1740849518 LROURTMBUCGYOD-NRFANRHFSA-N 447.583 4.533 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1740853362 BRMMADGBLPXBQF-OAQYLSRUSA-N 448.615 4.822 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1740892026 PJCSSSBLIGIHGM-UZUQRXQVSA-N 444.963 4.811 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccsc1Br 1740904950 DORHFGPJNMOUPM-HUUCEWRRSA-N 439.423 4.691 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCCC1)C1CC1 1740905853 IZPIXKZIRQKWBU-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1cccs1 1740923868 YDRMTCBFYLMMEG-PGRDOPGGSA-N 444.626 4.743 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCN2CCCC)C1 1740977516 IBVRBOISQIJXQI-RTWAWAEBSA-N 441.595 4.520 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(c2ccccc2CO)CC1 1748718262 IWPGZBHLJRGEPD-UHFFFAOYSA-N 434.609 4.610 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749161794 FPBWXIFLPVRFNS-NLFFAJNJSA-N 427.612 4.921 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N[C@H](C)CC)CC1 1749291223 BJVYLVUOGJYNSU-MSOLQXFVSA-N 445.995 4.533 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)c1ccccc1 1749384749 GWTINRRNBRIJDO-MPCCHNLFSA-N 438.616 4.609 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1749384999 LAGKLTDGCKZLKU-DEOSSOPVSA-N 444.627 4.591 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCc1nccs1 1749531724 MQVTVKYNAVBSJZ-UHFFFAOYSA-N 446.605 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1Cc1nnc(C(C)(C)C)s1 1749572116 XVECVMDWQJCWND-UHFFFAOYSA-N 428.993 4.974 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CCCO1 1749584121 GVBKRRHYABOXIG-DEOSSOPVSA-N 437.975 4.798 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1749608175 QKOMAGYMSXOTSB-QAPCUYQASA-N 426.362 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(CCOC)CCCC1 1760123986 MPOPOPSUDOLNPD-SFHVURJKSA-N 430.980 4.565 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCOCCC(C)C 1760167003 YMPJQKGZXPDWIT-UHFFFAOYSA-N 426.561 4.945 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC[C@H]1CC 1760229257 KFZVPCHPPSFHFK-GOSISDBHSA-N 434.415 4.976 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1760350231 AFMCHFHPZNEKHT-UXHICEINSA-N 432.996 4.831 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1760377509 DLFKNPCKUIKWOA-UHFFFAOYSA-N 444.963 4.921 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nc(C)c(C)s2)CC1 1760382586 UKBOQDQNUBVZFY-INIZCTEOSA-N 427.549 4.835 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1oc(CC)nc1C 1760466981 PYIFBYPRYWPJCM-UHFFFAOYSA-N 436.343 4.693 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1760471860 LORWRRZIOWLYTI-UHFFFAOYSA-N 443.473 4.765 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760563504 UBJLHVOLPJGZOU-HXUWFJFHSA-N 436.610 4.842 30 10 IJEE O=C1NC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)S[C@@H]1Cc1ccc(F)cc1 1772742349 MZIWTGFPNHIPHU-LJQANCHMSA-N 427.888 4.903 30 10 IJEE COc1ccc2nc(SCC(=O)Nc3cc(OC)c(Cl)cc3OC)c(C#N)cc2c1 1858204719 MBJKPIDDCPEKGN-UHFFFAOYSA-N 443.912 4.516 30 10 IJEE Cc1cc(C)c(NC(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)n3ccccc23)c(Cl)c1 1858242013 NRHJXMPMLMNYEY-UHFFFAOYSA-N 443.894 4.981 30 10 IJEE CCC(CC)C(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1858721733 DPABFODMWZSEJY-AWEZNQCLSA-N 440.569 4.532 30 10 IJEE C=CCNC(=O)Oc1ccc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1858883613 KLCJNFSFXOBSPU-UHFFFAOYSA-N 446.347 4.929 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861220640 VMRIIFDNIYSOKC-JYFHCDHNSA-N 429.649 4.660 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1861819150 DUFXNSVNLOBMLF-QFIPXVFZSA-N 439.556 4.721 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1862100929 ZDPUVDODAWOFEJ-DEOSSOPVSA-N 442.563 4.598 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCO)cc1 1862385221 JYMQZSPVTSHHDF-LJQANCHMSA-N 434.319 4.517 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(Cl)c2)cc1C 1862403025 MTYSLJMKANQNPL-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862442046 OTKAAGWRPUPNOG-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc(Cl)c2)c1 1862491401 SANSWGXTUWPWGJ-OAQYLSRUSA-N 427.928 4.698 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(O)cc2)ccc1F 1862507488 MEGOCWMPGLRUQZ-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862520015 YFFCUMZTOPTTBF-OAQYLSRUSA-N 437.492 4.552 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862558783 ZHZHJFANHIYNJC-QFIPXVFZSA-N 447.491 4.646 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862591648 LLFUOBWNSGAAPO-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1OCC 1862602197 WSKHBNTUBQVFBR-NYHFZMIOSA-N 439.508 4.566 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1ccccc1F 1862625909 QFHVLXKXHBHXIG-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862665092 YYQSQPWIXNLIEC-JOCHJYFZSA-N 445.471 4.880 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)C)cc1 1862677408 BEOGXTDFJIZGMR-JOCHJYFZSA-N 425.500 4.954 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862684392 VWCHJVQEICZSIX-JOCHJYFZSA-N 441.499 5.000 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Br)cc2)c1 1862710451 WFJGVOPJPVTMLX-LJQANCHMSA-N 444.325 4.692 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccccc1C#N 1866705093 ZQGZIGYAQJLCOC-UKILVPOCSA-N 440.547 4.593 30 10 IJEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866822162 SDLVUWGLDVPEIN-KPUQOTSHSA-N 443.934 4.981 30 10 IJEE COc1cccc([C@@H](C)CC(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)c1 1867111643 AUZSOWDISARDPI-AVRWGWEMSA-N 427.504 4.557 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1870112100 PAQKOBKDRDMVND-UHFFFAOYSA-N 434.714 4.973 30 10 IJEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870416522 BBACGWMKZHRSDR-JOCHJYFZSA-N 428.621 4.716 30 10 IJEE C#CCOc1cn(Cc2cccnc2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871005612 OXZKBPSQYAMWFW-UHFFFAOYSA-N 447.844 4.588 30 10 IJEE COC(=O)c1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871345853 TZFMBDMGNHJMGI-NHDPSOOVSA-N 447.512 4.811 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)cc1 1871350362 BVRCHTGORNZQCH-QKVAYCKHSA-N 433.504 4.820 30 10 IJEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871377521 ORQNMCUAELZDLP-AGWINUGJSA-N 431.375 4.969 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871441702 JFHJRHFFDRCZPG-FMCGGJTJSA-N 431.419 4.662 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871803385 VUYGHHHSCBEECV-OAQYLSRUSA-N 434.989 4.859 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871987677 JLBVGUQCBZVKJY-FOIQADDNSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872133756 XZVHMVUJHJSFCM-JOCHJYFZSA-N 446.638 4.631 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872219496 MEBUPOKYZQWZBX-JOCHJYFZSA-N 428.598 4.968 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(C)c1 1872769354 PYRCKSSEDJLGMC-FQEVSTJZSA-N 443.528 4.921 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872782657 MJNGZQSMZCBEIT-MRXNPFEDSA-N 442.924 4.908 30 10 IJEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(C[C@H]2CCCO2)C1=O 1873121299 WRQYEXNZGIFLIP-OAQYLSRUSA-N 426.601 4.821 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2)cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 1873631478 DFXJACHGAHEBIX-OAQYLSRUSA-N 447.926 4.669 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccn1C 1874241299 ZDMNOXVJVYTLDM-PCLIKHOPSA-N 447.564 4.769 30 10 IJEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccn2)c1 1874344251 DPMPVYUVFUFSGU-WGOQTCKBSA-N 433.512 4.608 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccn1 1874454902 QNNVBHVJXGSNQY-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874473615 NORFGUWGAMAGOJ-BUVRLJJBSA-N 447.520 4.703 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)c(OC)c1 1874494484 OLXYBURKMMRWOY-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCCCO)cc1OCCC 1874576262 FUSRETBIMCBKSV-ZRDIBKRKSA-N 428.525 4.930 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC(=O)N[C@H](C)c1ccccc1 1874598032 PXOUGYABYRMRGE-ODHXBGJQSA-N 433.479 4.987 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(OC)c1 1874668795 OBBDIMACESETIP-RUZDIDTESA-N 449.595 4.994 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)c(OC)c2)CSc2nnc(CC)n21 1874835418 SNAGXBNCPKKTCR-SFHVURJKSA-N 446.617 4.920 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2cccc(OCc4ccccc4)c2)C3)OC1(C)C 1879732977 NVXBEOLUQOPQAK-QFQXNSOFSA-N 433.357 4.964 30 10 IJEE COc1ccc(Cl)cc1NC(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1 1890674743 YLURUCAMHSZNJN-UHFFFAOYSA-N 442.928 4.792 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3ccc(C#N)c(Br)c3)CC2)CCC1 1965667390 RLUWVYUIPSANDB-UHFFFAOYSA-N 434.378 4.985 30 10 IJEE C[C@@]1(C2CC2)CSC(=Nc2ccc(I)c(Br)c2)N1 2029955076 SKMBGMAGHQRIMJ-ZDUSSCGKSA-N 437.144 4.546 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccs2)ccc1O 2033813438 QWJSYBKCDUTIFG-FQEVSTJZSA-N 439.489 4.532 30 10 IJEE CC[C@@H](c1ccc(OC)cc1C)n1nc(C(F)F)c(C=NO)c1I 2079952515 JLQNNGRNJUCKKP-ZDUSSCGKSA-N 449.239 4.550 30 10 IJEE CN1C[C@@H]2CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c3cccc(Br)c3)[C@H]2C1 2152859146 WXMXTSKLEJALEH-UQASEVPWSA-N 434.378 4.815 30 10 IJEE C[C@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1Cc1ccc(Br)cc1C#N 2174564704 GIMUVZFWCWMGPO-JKSUJKDBSA-N 436.394 4.836 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC1CC1)c1cccc(Br)c1C#N 2174813509 XEEQXVONGMPLKN-MRXNPFEDSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)Nc1ccc(Br)cc1C#N 2181102952 JUMCIWCNDOOMGJ-MRXNPFEDSA-N 436.350 4.829 30 10 IJEE N#Cc1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1I 2186487182 UJRGHVWHBDEZHB-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@](C)(NC(=O)OC(C)(C)C)C1CCC1 2235724476 IIZDGORVHSGMFN-GCJKJVERSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2235730891 PILYBQSIDJOSDZ-QUCCMNQESA-N 433.390 4.592 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(OCc3ccccc3)cc2C)C1 2255187981 YIPMPIXMERNDOU-UHFFFAOYSA-N 434.536 4.819 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255848037 VTOXXRVUWVOBMT-IYBDPMFKSA-N 430.354 4.869 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(CC)n2)CCCN1C(=O)OC(C)(C)C 2272238794 PQHGOSJXSWYQFK-LJQANCHMSA-N 426.355 4.526 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@H](O)C#Cc1ccc(Br)cc1 2278789433 NKLFMONIWOWESJ-DLBZAZTESA-N 442.419 4.587 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2278809623 OLWBJXLCRUPYRS-SJLPKXTDSA-N 435.387 4.716 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](C#N)CC23CC3)cc1Br 2288842377 LODLVJILGYPUMC-ZDUSSCGKSA-N 434.334 4.704 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 2296272896 MRGRKAZDJIYCPC-OALUTQOASA-N 449.414 4.586 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CCC1(C)CN(C(=O)OC(C)(C)C)C1 2296274404 UJNJNHDIFFBVPL-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)[C@@H](N)C#Cc1ccc(Br)cc1 2296296309 MIKPNYFVYVJPOS-GJZGRUSLSA-N 449.311 4.610 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2296309118 QSROTKREXVVBRH-RBUKOAKNSA-N 435.406 4.672 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2305318659 FVIAIKPQXILGIC-STWLZBDKSA-N 428.573 4.698 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2305323308 UCIXOJUFKNRXPA-CPJSRVTESA-N 428.573 4.603 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2321854429 LFZDOZDGIZZMCI-UHFFFAOYSA-N 429.472 4.734 30 10 IJEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 2322037990 AZPYQSCZYIQTOU-UHFFFAOYSA-N 442.515 4.600 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)c1 2322659414 IAVXEZFSKJVIQJ-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)NCc1ccccc1 2323627059 ZGPAKHVLRQIWDW-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCC(=O)OCC(C)C 2323908031 KCVKEPMXPDRNMI-UHFFFAOYSA-N 441.480 4.776 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)OC 2323915190 MRBAHWOWVGRVMW-UHFFFAOYSA-N 433.298 4.604 30 10 IJEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324155908 ORXHSMXVUSEXNR-UHFFFAOYSA-N 444.443 4.624 30 10 IJEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 2324339111 FJVDYRBEVPZKLV-GOSISDBHSA-N 435.461 4.625 30 10 IJEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(O)c1 2326031430 FJRCVMGGMGOYBD-UHFFFAOYSA-N 446.960 4.739 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC)cc1OC 2326683374 ITGZJPMWXHDFFN-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE Oc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 2329902668 XQYXDKRSKXZMJC-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccccc1F 2330135504 BNKIULXSFDMCJH-KRWDZBQOSA-N 440.544 4.743 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330508755 TWUHQRRWSGOIFH-UHFFFAOYSA-N 447.564 4.524 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1O 2330965767 LBPXPVHNILMWKA-IBGZPJMESA-N 444.944 4.672 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(F)cc2)n(-c2cccc(Cl)c2)n1 2331669879 IZGRYULQJKFRRF-UHFFFAOYSA-N 437.906 4.890 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2360194363 MEXPZBYTICTQLT-POAQFYNOSA-N 435.406 4.672 30 10 IJEE CN(Cc1ccccc1)C1(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CCCC1 2364751215 HHDCAZBVHSJDSB-UHFFFAOYSA-N 445.416 4.714 30 10 IJEE Cc1c(Br)cc(F)cc1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364910620 XYFMYOUVIQQOTA-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(F)ccc1F 10146140 ONSMMFPHBPPFIS-UHFFFAOYSA-N 444.507 4.669 30 10 IJEE COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2ccc(C#CC(C)(C)O)cc2)cc1 12298421 HPFCNLCTTVEXFX-VWLOTQADSA-N 443.591 4.807 30 10 IJEE COc1cccc(CN/C(=N\C(=O)Nc2cccc(Cl)c2)Nc2nc(C)cc(C)n2)c1 14156137 MBXUEMZYEQPIIQ-UHFFFAOYSA-N 438.919 4.545 30 10 IJEE CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(OC)cc1 23997902 QQXGRRCDGONBIQ-GOSISDBHSA-N 449.580 4.710 30 10 IJEE CCOc1ccccc1N/C(=N\C(=O)c1ccccc1C)NCCc1c(C)nn(CC)c1C 32973159 PMMSFFIJSCTDOT-UHFFFAOYSA-N 447.583 4.668 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(Cl)cc1 39827094 URYODLLKEQGZAO-OAQYLSRUSA-N 443.927 4.600 30 10 IJEE Cc1c(/N=N/c2ccccc2C(=O)c2ccccc2)c(O)n(Cc2cccnc2)c(=O)c1C#N 39871586 MCCRTKZRLOLDFZ-QVIHXGFCSA-N 449.470 4.824 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OCC)cc1 40095841 DHOSTCBCBSUTCH-QMHKHESXSA-N 435.520 4.787 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)c1 41287685 VUQNREPSWUQCLQ-XKZIYDEJSA-N 446.455 4.856 30 10 IJEE COc1ccc(C(=O)/N=C(\NCc2ccccn2)Nc2ccc(C(C)C)cc2)cc1OC 46125881 FDYANZNNQGXJAL-UHFFFAOYSA-N 432.524 4.620 30 10 IJEE CCOC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc(N4CCOCC4)c(F)c3)o2)cc1 96765571 XHXTVAAXSJTQQH-FLIBITNWSA-N 449.478 4.995 30 10 IJEE CCCC/C(=N\[C@@H]1C(=N)[C@H](CC(=O)Nc2ccc(OC)cc2)SC1=O)c1ccccc1 103822426 PQYPKVPSSZYPIC-ROSNTJDUSA-N 437.565 4.734 30 10 IJEE O=C1/C(=C/Nc2ccccc2F)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 105286194 CFHTWKAVFVDVAY-BKUYFWCQSA-N 442.899 4.965 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cccc(F)c1 169940372 VEFQTDBUEFCBHJ-LJQANCHMSA-N 438.480 4.691 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 169956169 CJAWXYDQEFPKAI-QFIPXVFZSA-N 447.922 4.580 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1cccnc1 170005196 JJMLTUDZFUYZHT-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2F)cc1 170069665 WFYOACIVRBIMAP-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114751 UXQXQKKGSINZIU-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)c1 170117896 WWCXJNRXRSNBAJ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)c(C)c1 170142330 DTGOEDITMDCRBH-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccnc2)cc1 170191964 SDNVVQCSPASTHX-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)c(OCC)c1 170203340 MICFHWHZBJEBHN-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1 170234670 IGBQLDXLTVRNEI-JOCHJYFZSA-N 439.471 4.663 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(F)cc1 170241365 WBGRMLRJCJKHRX-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(F)cc2)cc1C 170242643 UAUDKVXSJQJVCX-QFIPXVFZSA-N 441.499 4.538 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccc1F 170247429 UGUXXRFUSRHSSL-QFIPXVFZSA-N 441.499 4.616 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1F)c1c[nH]c2ccccc12 170248708 ULAIOIQORXBSRH-QFIPXVFZSA-N 428.419 4.796 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1c[nH]c2ccccc12 170255404 VBSPZUOPKNJXTR-QFIPXVFZSA-N 434.492 4.564 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccc(O)c2)c1 170258629 UMXBKHCMZXDHNQ-XMMPIXPASA-N 441.483 4.809 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)c1 170281714 WJQZMXLFNFIXGW-IBGZPJMESA-N 427.815 4.864 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)cc1C(C)(C)C 170292236 YVWVLHNBQDFEQG-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccco2)cc1C 170296518 XIHUZAREIJSYQN-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccncc1)c1cccs1 170359218 FLAMWYXHWVHEMA-KRWDZBQOSA-N 441.306 4.689 30 10 IJEE C#CCN(C[C@@H](Cc1c(F)ccc(Br)c1F)NCCC)C(=O)OC(C)(C)C 407410329 MHQPQJASCHXPBC-CQSZACIVSA-N 445.348 4.508 30 10 IJEE CCn1ccnc1[C@H](NCC1CCC(C#N)CC1)c1ccc(I)cc1 442880236 XYABIOKCMWMSTC-LADRWXRNSA-N 448.352 4.517 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3C(C)C)cc2C1=O 482730170 BGUIBQVBKIVRIH-UHFFFAOYSA-N 448.910 4.683 30 10 IJEE Cc1nc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)sc1Cc1c(F)cccc1F 487590505 SJEWWCVSNFLSIY-OAQYLSRUSA-N 435.496 4.521 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccccc1COc1ccccc1Cl 506638217 XBOJXRMOUPMPHR-DEOSSOPVSA-N 442.943 4.797 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 508906887 IUXYXALVEYOYTH-IBGZPJMESA-N 437.613 4.695 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc2c(s1)CCOC2)c1ccc2c(c1)OCO2 521089750 XFQKTUVHVSNPCP-UHFFFAOYSA-N 449.528 4.961 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c(OC)c1 526491825 RUOTVMMANVLNEU-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(SCc3ccco3)C2=O)cc1 526666448 DRUROFVNIZHNPG-UHFFFAOYSA-N 445.500 4.680 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ccc(F)cn2)CC1 540407862 DRTGIXIULPKPBY-UHFFFAOYSA-N 431.471 4.547 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 563571513 AEWXDFMLUPESEF-UHFFFAOYSA-N 429.436 4.874 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(OCC)CC1 669806995 XYZBDOIMWKCZAO-UHFFFAOYSA-N 436.531 4.855 30 10 IJEE CC(COc1ccc2cc(Br)ccc2c1)=NNc1ccc(S(C)(=O)=O)cc1 743435506 JLCAMQUYUVNPFY-UHFFFAOYSA-N 447.354 4.873 30 10 IJEE Cc1ccnc(NN=Cc2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)c1 755904032 AKWXOELJVLBJJD-UHFFFAOYSA-N 444.545 4.605 30 10 IJEE CC(C)(C)NC(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1083946843 SXIOZSJWMMEUDM-UHFFFAOYSA-N 432.553 4.564 30 10 IJEE CC/N=C1/S/C(=C\c2cc(OC)c(OC(C)C)cc2Br)C(=O)N1CC 1084237069 CQJBLGTUFACKAS-TXZCWDHISA-N 427.364 4.557 30 10 IJEE COC(=O)c1ccc(C=NN2C(=O)c3ccc(Cl)c4c(Cl)ccc(c34)C2=O)cc1 1084280110 WXZOFEWSUFCCPY-UHFFFAOYSA-N 427.243 4.563 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccccc1 1124387851 VBQKCQFRHKQSGE-IBGZPJMESA-N 442.581 4.558 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(-c3cccc(OC)c3)cc2)CCCN1C(=O)OC(C)(C)C 1126167245 GVDWEURNJPWBPX-HHHXNRCGSA-N 448.563 4.771 30 10 IJEE C#CCO[C@H](C)C(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl 1126843858 NHJKNAWLZVTZTI-LLVKDONJSA-N 432.705 4.623 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)s1 1127820297 GJWFOVQSKSXGQZ-OAHLLOKOSA-N 425.023 4.810 30 10 IJEE C=CCc1cc(C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc(OC)c1OC 1129431068 GHICURZDHMOTHX-OAHLLOKOSA-N 432.923 4.576 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3sc(Br)cc3C2)cc1OC 1131269351 FMJJPICKWIHKRU-ALCCZGGFSA-N 434.355 4.682 30 10 IJEE C=CCCC(C)(C)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1132188998 BJYLYECAUMKXIW-UHFFFAOYSA-N 427.467 4.939 30 10 IJEE CC(C)(C)c1ccc([C@H](O)CCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 1137628500 DJPGVISAWKYSEA-XPPIMPSXSA-N 435.568 4.571 30 10 IJEE Cc1ccc(Oc2ccc(OCC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2)cc1 1143726902 HNOWCGBUTHEMAR-UHFFFAOYSA-N 441.531 4.777 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 1156360434 UOGMCWKGVVZRRC-CYBMUJFWSA-N 442.850 4.649 30 10 IJEE C#CCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1C1CCCCCC1 1164602597 DKMVRQDQAZGTPU-UHFFFAOYSA-N 446.642 4.596 30 10 IJEE C=CC1(CC(=O)NCc2ccc(OCc3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 1168695026 PVKAMYNKLQMWLF-UHFFFAOYSA-N 436.552 4.695 30 10 IJEE C=CCN(Cc1cccs1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 1185030107 MPFPVXBBHINWAM-QGZVFWFLSA-N 442.002 4.726 30 10 IJEE C=CCn1c(S[C@@H]2CCN(C(C)C)C2=O)nc2scc(-c3ccc(C)cc3)c2c1=O 1187948141 MPLYOVXXLCIZSY-GOSISDBHSA-N 439.606 4.721 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 1187979751 BOWQOFKQFYERFP-MRXNPFEDSA-N 439.968 4.720 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2cc(-c3nc4cc(F)ccc4n3C(C)C)ccc2C)C1 1201154185 FSFVRCWRUXUKSH-NRFANRHFSA-N 447.558 4.951 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C)(C)c2ccc(Br)cc21)C(C)C 1211223592 YZMUOPGDWJDBAT-FQEVSTJZSA-N 434.422 4.955 30 10 IJEE C#CC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1220532949 BVHIIYPRNMOZET-UWJYYQICSA-N 428.001 4.556 30 10 IJEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1227004040 AXFQMUQNKFUZGW-SDHOMARFSA-N 430.596 4.768 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(F)c(F)c1 1227393989 IIXPKSLRQOHYQE-MGPUTAFESA-N 437.437 4.762 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)cc1OC 1265315695 CLGFBAXLJUQLCU-XFFZJAGNSA-N 440.927 4.705 30 10 IJEE CC(C)c1nc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)nn1-c1c(Cl)cccc1Cl 1265663489 FBXKAHPNONMTTR-UHFFFAOYSA-N 446.342 4.773 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CCCC1(C)C 1270793505 QTRWKYOVLGRUJA-IBGZPJMESA-N 427.010 4.577 30 10 IJEE C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1271244391 BGLHKTDKRLCSCM-IBGZPJMESA-N 429.495 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1sccc1Br 1286283346 WJLWUUUEDBTIIN-CQSZACIVSA-N 429.387 4.838 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1(F)CCC1 1286433877 NXTAENJEXXJQBS-UHFFFAOYSA-N 436.575 4.900 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1286533919 MAYBSNHYIIHWCU-FUHWJXTLSA-N 446.349 4.921 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(C)o1 1286540164 JIVFWLPOLIVGDB-UHFFFAOYSA-N 435.753 4.969 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCC(C)CC1 1286568846 XDJWNYLGKWGDPQ-HXUWFJFHSA-N 429.584 4.692 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(Cc1ccccc1OC)C[C@@H]1CCCO1 1286628670 DVRWNPLKIYULCO-IBGZPJMESA-N 432.996 4.813 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1286644076 HPMZRNZSDYFCTK-UHFFFAOYSA-N 441.482 4.545 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1286651836 MYQNAKGADIMMTF-KPLVRAHFSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2OCC)CC1 1286669734 QFHKZHCAHOQGPF-UHFFFAOYSA-N 434.588 4.601 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1286688890 ZXAHLZBTQVYWQL-QPTUXGOLSA-N 437.632 4.628 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1CCC(OC)CC1)C1CC1 1286734093 OCRMISPQYMBLRV-UHFFFAOYSA-N 432.515 4.907 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CC1CCN(C(=O)OC)CC1 1286749008 IBLBUKPYUOGERE-UHFFFAOYSA-N 443.617 4.668 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCSC(C)C)C1 1286803885 HEHZNJQMTHQBHF-QGZVFWFLSA-N 437.009 4.530 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(F)cc(F)cc2C1 1286827119 DOJKMJWJXRAPLB-UHFFFAOYSA-N 447.942 4.754 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1287419629 LKHPFZZQSGTVFO-GOSISDBHSA-N 437.337 4.823 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H]2CCCCO2)C1 1288974486 FWDKJIQYRIUJIW-VGOFRKELSA-N 431.943 4.827 30 10 IJEE C#CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 1289232691 HJFYHXLOPCEWHP-FQEVSTJZSA-N 445.441 4.955 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCC2)CCCN1C(=O)OC(C)(C)C 1289476210 BFPZGCMWKXPBSA-BWKNWUBXSA-N 428.573 4.998 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(C)C)CC1 1300372073 MDLMMZSWTOJQJW-UHFFFAOYSA-N 437.632 4.623 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300601700 KGTPBYRSJNGFAY-FPOVZHCZSA-N 439.604 4.535 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(Br)c1 1300742539 MIQOMTIAOKTQKY-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@H](C)COc1ccccc1OC 1300789423 LUUGYHCGUWHGJY-IQGLISFBSA-N 434.540 4.562 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300928625 JULZAPXHMOXVGT-CTNGQTDRSA-N 434.588 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301155768 UYYVVWJXKQOURR-MRXNPFEDSA-N 441.567 4.606 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccccc1F 1301222267 UHKZMJRKWBXBGZ-IBGZPJMESA-N 449.578 4.755 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(C(F)(F)F)c1 1301273902 XVZSTYXTUSGYBU-CQSZACIVSA-N 435.425 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCS1 1301337577 IQLUOINKWSHCOV-SFTDATJTSA-N 428.602 4.617 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1301341554 SPIVKIJUDSJFGQ-QFQXNSOFSA-N 434.632 4.976 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301445749 IEIHEDRCXZGEHN-QFIPXVFZSA-N 434.588 4.803 30 10 IJEE CSC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1302511767 AESPPUWWLDVHKD-VLIAUNLRSA-N 437.972 4.655 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)C1 1302667818 GPBOOPBETUXJBD-UGKGYDQZSA-N 427.643 4.824 30 10 IJEE C#C[C@@H]1COCCN1C(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 1310384022 COKNTRDXCQHVQX-OAHLLOKOSA-N 435.705 4.761 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2ccccc2Oc2cccc(I)c2)C1 1311147069 WPOFPESHCPWSBF-HNNXBMFYSA-N 446.288 4.961 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cnc(Br)c(Br)c2)c1 1352551696 BVOCXTSFGQHGCZ-UHFFFAOYSA-N 426.108 4.814 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1 1353396541 VJFSUNXEDKXCKV-JQYIIUTOSA-N 446.591 4.827 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2C(=O)OC)nn1 1357984494 FGVVHXJLIZVMOC-UHFFFAOYSA-N 444.413 4.579 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C(CC)CC)N(C)C 1358882541 BYIWGKBHHYBLAZ-UZLBHIALSA-N 446.437 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1358896316 AWUVGGWYVPDWAS-XUZZJYLKSA-N 431.584 4.767 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCC1(COC)CCC1 1359016133 QQJLKRUISHWJIO-UHFFFAOYSA-N 436.531 4.832 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](CC(C)C)C1 1359050594 VNMUXDFWEMBWEL-IBGZPJMESA-N 434.613 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1Cc1occc1C 1359066471 CCTHEHWIFDRYQF-OAQYLSRUSA-N 425.330 4.649 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(CC)CC 1359092697 DTEIVFOENOQMPX-WMZHIEFXSA-N 436.556 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1359110135 BGPGITBYGWUBPJ-LJQANCHMSA-N 427.593 4.911 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359124661 XILAJQUAOWXXQG-QFBILLFUSA-N 425.335 4.592 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1CC 1359127815 BFRUVZSQXNYODX-INIZCTEOSA-N 449.393 4.688 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359143205 WMVOSGOUYPLBHE-OAQYLSRUSA-N 442.007 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1359191691 JQXJJWLREKIBFU-ROUUACIJSA-N 425.602 4.661 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1)c1ccccc1 1359192591 JQHUYLDIXXNCLA-MDNUFGMLSA-N 435.616 4.889 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1359200975 YCUSEWAJLJTCGX-UHFFFAOYSA-N 445.615 4.850 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1359201698 XAPTZQSWJSCKPS-MOPGFXCFSA-N 442.608 4.759 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccccc1C 1359219244 KLQPWKDTYMWRGG-FQEVSTJZSA-N 435.597 4.886 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)CC1CCCC1 1359225339 VJZMXMIRXYAUTO-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1CCC(OC)CC1 1359268483 RQUUDJJKXMZFPK-UHFFFAOYSA-N 449.599 4.759 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1359341493 YQANLYHLTFKUMC-NHCUHLMSSA-N 439.629 4.985 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(c2cccc(OC)c2)CC1 1359344956 NWTVPGHYSZTQLW-UHFFFAOYSA-N 449.624 4.576 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)Cc2ccccc2CC#N)C1 1360088158 CIUGXPARZODJHW-DEOSSOPVSA-N 447.579 4.723 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)CSc2ccc(C#N)cc2)cc1 1434972559 CUNCFZRPLMUVKR-DEOSSOPVSA-N 441.556 4.946 30 10 IJEE C#CCN(CC#C)C(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 1435273215 OYVNIBXXHQFNSY-CMDGGOBGSA-N 435.346 4.938 30 10 IJEE C=CC[C@@H](CO)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1447025335 ILVZGVVGHUOQFQ-LJQANCHMSA-N 441.531 4.616 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC(O)(c2scnc2Br)CC1)c1ccccc1 1448539482 KDAUJBAJWLWUMT-QGZVFWFLSA-N 449.414 4.856 30 10 IJEE C#CCN(C(=O)c1cc(Br)cc(C)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1455809048 CNACWDISXWFFKQ-UHFFFAOYSA-N 449.389 4.541 30 10 IJEE C[C@@H](NC(=O)c1ccc(Br)cc1C#N)c1ccc(F)c(Br)c1 1456288717 DOIJVQIUSUTQGP-SECBINFHSA-N 426.083 4.713 30 10 IJEE COc1cc(CN2CC[C@H](N(C)Cc3ccccc3)C2)ccc1OCc1cccc(C#N)c1 1459617131 CHNISTOMHHBVOU-SANMLTNESA-N 441.575 4.852 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)ccc1F 1459721433 HEKWOATZUNZVLE-UHFFFAOYSA-N 444.915 4.863 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(Cc2ccccc2F)s1)c1ccc(Br)cc1 1460789983 SWYGAOJNHWQZSZ-QGZVFWFLSA-N 429.314 4.740 30 10 IJEE C=CCC1(C(=O)Nc2ccc(OCc3cccc(Br)c3)c(C(N)=O)c2)CCC1 1462804464 HIAHBZWHRYZMGR-UHFFFAOYSA-N 443.341 4.812 30 10 IJEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)C1CCCCC1 1464646381 BRTINKBTWYRLPU-UHFFFAOYSA-N 430.957 4.549 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(Cc3noc(C)n3)CC2)cc1 1465490387 FGTUQSCNGNKTEO-UHFFFAOYSA-N 447.495 4.537 30 10 IJEE C=CCN(C(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1)[C@@H](C)COC 1466454823 PDAMKUARRLDQQC-AWEZNQCLSA-N 438.391 4.860 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)c1 1466469946 FJRPRJXMJZYJHM-OAQYLSRUSA-N 426.394 4.985 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCOC2(CCSCC2)C1 1466816611 JMQKYSAUFLCRBN-OAHLLOKOSA-N 441.391 4.580 30 10 IJEE COc1cccc([C@H](CNC(=O)NCC(C)(C)CC#N)c2c[nH]c3ccccc23)c1OC 1467573493 AWBKWKRPEAYNIW-FQEVSTJZSA-N 434.540 4.556 30 10 IJEE C=CCn1c(SCc2nc(CCCC)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472907333 AUPHQYMUJLOLJJ-CYBMUJFWSA-N 430.599 4.787 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(-c2ccccc2)n1 1472963419 VFJITWTWRMTKGD-UHFFFAOYSA-N 425.627 4.908 30 10 IJEE CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1cc(C#N)ccc1Br 1473374343 HZYAUTXKCOSEMA-UHFFFAOYSA-N 428.252 4.682 30 10 IJEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1476697625 CWRMTNUNBXWBCJ-UXHICEINSA-N 441.535 4.872 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccccc1O[C@H]1CCOC1 1476728828 LVUHTVIUBNQJCJ-HNNXBMFYSA-N 433.302 4.826 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1477661189 KOSMKFWADWWZAU-MGPUTAFESA-N 446.776 4.603 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2C2CCCCC2)cc1 1497836027 GOLMELNINOVQHJ-HYBUGGRVSA-N 434.632 4.900 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)c1ncc(C)s1 1507520862 HJZQRBIULRMPCT-KBPBESRZSA-N 431.512 4.573 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(O)CCCCCC1 1507528501 NEJOPXIMUMITIK-FQEVSTJZSA-N 448.567 4.660 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1 1507581245 SNRUDTACYPEXIB-ZIAGYGMSSA-N 437.382 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CC1(N(C)C)CCCC1 1507772458 PJNCFOLQPQZZKJ-XMMPIXPASA-N 437.657 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1Cc1ccc(C(F)(F)F)cc1C 1507773875 MSUHVRUQCBGBHD-HSZRJFAPSA-N 439.485 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)N(C)C1CC1 1507813843 BRBCJYPHADHCGL-KRWDZBQOSA-N 446.437 4.901 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCOCC(F)F)CC1 1507879754 SPVCIFWJQXSYMX-UHFFFAOYSA-N 441.320 4.536 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCSCC(C)C)CC1 1507900073 DTFGTNNNZNFKJB-UHFFFAOYSA-N 430.618 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1507910140 HPHDAZFXNVGRNK-MSOLQXFVSA-N 442.633 4.638 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507914099 DYLYYHGBKNHYJY-HKUYNNGSSA-N 431.625 4.887 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(CC)C1)C1CC1 1507988804 WCXKDLKMMZJTQD-MSOLQXFVSA-N 429.996 4.568 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccnc(OCC(F)(F)F)c1 1524983193 GZDUNLOPVXSFBY-UHFFFAOYSA-N 431.208 4.602 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 1526219605 HMLFPBOZDLSJQI-VELBRHGASA-N 441.934 4.916 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cc(Br)cc(I)c1C 1526896354 VMNKTJSOUIMYCT-SNVBAGLBSA-N 436.131 4.837 30 10 IJEE C#CCN(C(=O)c1cccc(N2CCCC2)c1)[C@H]1CCOc2ccc(Br)cc21 1529627791 XZYXNJUVRGZFQE-NRFANRHFSA-N 439.353 4.649 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)cc1OC 1529789325 BPCAEEGOMCUMGV-QKQONQEDSA-N 429.557 4.776 30 10 IJEE CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ncc(Br)s1 1530399925 BEJMMMUALANJHT-UHFFFAOYSA-N 428.311 4.633 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1533764801 ZFYRMSZZESMXIM-QGZVFWFLSA-N 427.342 4.669 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Cl)cc(Br)c2)CCCN1C(=O)OC(C)(C)C 1535152013 LRCQOKADZIIIPH-LJQANCHMSA-N 441.753 4.834 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)CCCN1C(=O)OC(C)(C)C 1537651130 MAJRAVJNMWCGTB-CLOONOSVSA-N 426.557 4.895 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCCOc2ccc3c(c2)OCO3)C(C)(C)C)cc1 1537701684 GHUCLTWQCZCWKM-UHFFFAOYSA-N 425.525 4.966 30 10 IJEE COc1ncc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1C#N 1538310749 HXRDCXCZKXEUOG-UHFFFAOYSA-N 438.281 4.556 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1CCCCO1 1539028973 FNBOOOBJZQKVEY-IRLDBZIGSA-N 438.616 4.962 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CCC(F)(F)F 1539102784 JYXWTCNVOFKDTE-UHFFFAOYSA-N 432.446 4.919 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1539316969 PPNOSDOHSINWKA-LJQANCHMSA-N 436.968 4.694 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(Cl)c1 1539752512 QKOYHQZCHZERKS-UHFFFAOYSA-N 431.993 4.516 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCC)c(OC)c2)CC1 1539894669 PQMSJPGCVYAJBI-UHFFFAOYSA-N 438.597 4.788 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC2(CCCC2)C1 1539955091 OYDLGZSXSSQXTC-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1[C@H]1CCCO1 1539981141 FALCOCKIHUQUEL-RBUKOAKNSA-N 449.368 4.961 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)cc1F)C1CC1 1540116172 NUCGIMKPLUXKBM-TZIWHRDSSA-N 428.552 4.548 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1540147974 YCGLFNRPKJOKEM-OALUTQOASA-N 437.613 4.722 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1oc(CC)nc1C 1540180118 GYVKOTQEDRLPBI-OAQYLSRUSA-N 435.572 4.662 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(OC)cc2C(F)(F)F)C1 1540883190 VUDPBOBSMVDETR-CRAIPNDOSA-N 438.494 4.649 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)C1 1540911008 QWXPUBAEBBTYNS-LBPRGKRZSA-N 445.477 4.630 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1540911663 YEIOPBNFBSZECF-MSOLQXFVSA-N 448.036 4.556 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1 1542181815 KXSUIVZVHJJZFR-OAHLLOKOSA-N 431.558 4.566 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C)C(=O)OC(C)(C)C 1542564898 SBCOEQBJAFRGPQ-UHFFFAOYSA-N 431.583 4.720 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)n1 1543691292 FKXUCYGCITVFDE-RUZDIDTESA-N 447.604 4.642 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](CC)C1)N(C)C 1546723460 AFDGYJNRESWJPK-FGZHOGPDSA-N 440.661 4.515 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1546880002 GDWVCJCNQBRYIT-ZWKOTPCHSA-N 440.592 4.602 30 10 IJEE CO[C@](C)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1)C1CC1 1554578952 DPAXRBQCSJFFPZ-JOCHJYFZSA-N 431.943 4.683 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CCCS1 1554767562 DMHYSJSIXXNEAR-OAQYLSRUSA-N 431.993 4.633 30 10 IJEE C#C[C@H](NC(=O)c1oc(COc2ccc(C=O)cc2)cc1C)c1ccc(Cl)cc1F 1556560105 YXYRAHQBWLDXPZ-NRFANRHFSA-N 425.843 4.876 30 10 IJEE N#CCCN1CCN(C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)CC1 1557980628 HGOWJDJECKLHBU-UHFFFAOYSA-N 434.392 4.957 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1559517964 FVWGQGCCBUOMKM-NRFANRHFSA-N 442.332 4.643 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1583337689 LCQQODQHABZVEI-OXJNMPFZSA-N 428.426 4.991 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2OCCN(C)C(=O)OC(C)(C)C)c(Cl)c1 1585668633 QJHXEZCWDMKWDO-UHFFFAOYSA-N 428.916 4.819 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCSC2)C1 1587719143 UOHHLRSFPYGWFH-NRFANRHFSA-N 445.430 4.845 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[C@H]1CCCCO1 1588015646 BVLVHJLCSRMGRA-QGZVFWFLSA-N 437.371 4.583 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCCN1CCCC[C@H]1C 1589223126 CXOMNGJABBVNHG-QFQXNSOFSA-N 437.607 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1ccnc(C(F)(F)F)c1 1589223227 GMPQTALJNFDXQG-HSZRJFAPSA-N 439.485 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCCCC 1589242666 FJOBDQILQUEMMH-OAQYLSRUSA-N 431.378 4.802 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1589403575 AICVSTQCEXPSMO-UHFFFAOYSA-N 445.405 4.875 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(Nc3cccc(C)c3)CC2)nnc1C(C)(C)C 1589577704 DOIMKVJTQSDORM-NFBKMPQASA-N 437.632 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(N(C)C)CCC1 1589608933 QWYUSKSYWSQNBQ-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1593695353 DIHBZYKIRLSDNE-HBFSDRIKSA-N 448.995 4.668 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1593915210 WEVJRMPOHCYAOA-QHCPKHFHSA-N 432.996 4.868 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CCCCN2CCC[C@H](C)C2)CC1 1594408648 MEVFXMSRCQEFBS-QHCPKHFHSA-N 435.660 4.978 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCCOC)CC1 1594431137 XPADZMLMSFTSQJ-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1594687352 NUWQUZRNEOGZQO-LJQANCHMSA-N 442.514 4.859 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](c2nccs2)C1 1594687377 OUXWCXVWYTVALN-KRWDZBQOSA-N 447.511 4.547 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1594813883 ZYRXMGFFAYAJED-HSZRJFAPSA-N 438.616 4.979 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(F)c(F)c1F)C1CC1 1595037486 GXBIQOYARXKPED-UHFFFAOYSA-N 433.865 4.808 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[C@H](O)C1 1595161614 GCXPZNYUSINISY-FPOVZHCZSA-N 440.588 4.813 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccc(F)c1)N(C)C 1595191829 ZSTJORIASBRSPU-HXUWFJFHSA-N 440.954 4.614 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1595196359 PTGFCYGLXYMMNY-OAQYLSRUSA-N 449.599 4.913 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1CC(F)(F)Br 1595251310 RBBLHSPCVVLCMT-UHFFFAOYSA-N 429.309 4.752 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1596960628 DZQBPZWXOJYOIO-DBOLQNLKSA-N 430.976 4.946 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1622944698 AFEXGZDKHZDOGD-XXLITOKFSA-N 446.617 4.536 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCC23CC3)nnc1-c1ccc(Cl)cc1Cl 1623941771 KLUFFHOZNONWRK-MRXNPFEDSA-N 437.396 4.979 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccc(C)c(C)c2)CC1 1625539506 XRMDOOBRVIFVEN-UHFFFAOYSA-N 444.373 4.985 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 1627291428 JQSPLMNDFAGSDH-INIZCTEOSA-N 447.605 4.725 30 10 IJEE CCC(CC)CN(CCC#N)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 1627312601 DSQYBFBYGCBGSC-UHFFFAOYSA-N 447.645 4.516 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4cc(Cl)cc(Cl)c4C3)n[nH]2)c1C 1630831396 ZBXNPTXGCVRHFR-UHFFFAOYSA-N 430.339 4.581 30 10 IJEE C[C@]1(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCN(Cc2ccccc2)C1 1632052205 DGWNNVBLFUIJNH-AREMUKBSSA-N 444.604 4.998 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)cc1OC(F)F 1632210216 KQXZWTWSTDCPBR-BXUZGUMPSA-N 436.858 4.640 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)c1 1633771170 GRZRMYMXXXPZNT-FQEVSTJZSA-N 443.588 4.849 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1634040039 NXGJVCNTEDAMFF-GJZGRUSLSA-N 436.833 4.505 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1 1635491201 PVHXYAVSOHTRQK-LAUBAEHRSA-N 445.387 4.567 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@H]2CCCN(CC(F)(F)F)C2)cc1 1636572176 CQIIPOJJOCZTMY-INIZCTEOSA-N 433.499 4.714 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)Cc1cn(C)c2ccccc12 1642271834 KOJDHADQDUAXDA-PKOBYXMFSA-N 433.980 4.652 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CNC2(c3ccc(Br)cc3)CCC2)c1C 1644919162 CYLDZQPAHGHDFB-UHFFFAOYSA-N 440.385 4.982 30 10 IJEE COC[C@@H](NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1645045969 BEYJLIYXUCVIIV-MRXNPFEDSA-N 438.343 4.779 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)cc1 1645962208 NTAZUULQLIRSHX-QHCPKHFHSA-N 435.568 4.632 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 1652741582 OLYOWEKVWUXWLI-QEUVDIPISA-N 442.629 4.773 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c(Cl)c1 1653073101 SFHBEBCPONIPCN-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccccc1C(=O)OCC)c1ccc(C(F)(F)F)cc1 1661028320 AGIWGRMPAUKTJP-GOSISDBHSA-N 441.471 4.868 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)NCC1(c2cccc(Br)c2)CCCCC1 1662526453 IFCXIFLFXOCGSV-UHFFFAOYSA-N 447.398 4.810 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(Br)ccc1Br 1664685695 DVLCIALUVZOVBF-UHFFFAOYSA-N 429.152 4.875 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)cc1 1666222468 IHVUHLREWKSVBV-LLVKDONJSA-N 438.272 4.526 30 10 IJEE C=CCC1(NC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)CCOCC1 1667456789 MWDDUMHZRJPUPE-UHFFFAOYSA-N 436.375 4.743 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1667891137 MOVVGQPOMPZAOV-UHFFFAOYSA-N 428.452 4.697 30 10 IJEE C#CCN(C(=O)Nc1ccccc1CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1669187476 NYPOBOVXWIOMFB-UHFFFAOYSA-N 439.478 4.658 30 10 IJEE COc1ccc(C(C)(C)CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1OC 1669353713 CHLBOLKFUYDAPA-UHFFFAOYSA-N 437.418 4.573 30 10 IJEE CN1CCC(Oc2ccc(Cl)cc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 1670045440 FNIWNBDPRQNBOC-UHFFFAOYSA-N 438.959 4.881 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 1670866468 MVZSXRWYAFNQQS-SFHVURJKSA-N 445.494 4.902 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1674020143 DAMLQTIWWBBTQQ-RTWAWAEBSA-N 445.991 4.835 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN([C@H](CC)c4ccc(F)cc4F)CC3)cc2n1 1674576434 JWMLPMMGGGMRAE-HSZRJFAPSA-N 439.510 4.801 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCCc1ccc(I)cc1 1674730074 BRRHRCZFLUUMOP-UHFFFAOYSA-N 426.342 4.612 30 10 IJEE C#CC1CCN(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 1676200968 GSBYMQQDNNIBQW-UHFFFAOYSA-N 432.955 4.790 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)c1ccc(F)c(F)c1 1678526716 JFAJUIFBTQPHHT-LJQANCHMSA-N 425.520 4.917 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)cc2n1 1680698659 VBKUOSMEZPUZHX-UHFFFAOYSA-N 432.503 4.848 30 10 IJEE CC(C)(NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1Br 1684480020 DSHCWJCTJMATQU-UHFFFAOYSA-N 441.373 4.524 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 1686427575 UGGDTYHEWYGZNJ-HXUWFJFHSA-N 444.373 4.800 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccc(F)cc1 1686917901 YVRKQYUDWFCVBA-RBUKOAKNSA-N 448.279 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC1(C)C 1690034781 RFUILDSIRUIWBX-QFIPXVFZSA-N 425.580 4.862 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1690159624 HKXWTCNXSFMUOR-FFZOFVMBSA-N 446.567 4.928 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCSCC(C)C 1690195831 PZCZAUDQSANSEE-JOCHJYFZSA-N 434.556 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CCc1cnc2c(Cl)cnn2c1 1690266862 LUPSPKBBRUPELU-UHFFFAOYSA-N 449.990 4.519 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC(C)C 1690306328 TVPQNVCZNMQMBZ-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1690373673 ICPORGWQYPYCKO-LJQANCHMSA-N 448.514 4.725 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1690415134 YRCSPMQABICMCV-FQEVSTJZSA-N 449.643 4.990 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690455436 IXZQPGINDSLILS-GOSISDBHSA-N 445.398 4.785 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690502693 CREORUABZPIFNU-QHCPKHFHSA-N 448.615 4.910 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)(CC)C1 1705533271 WRJISUZZBVBMGI-HXUWFJFHSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](c1cccnc1)C(C)C 1705603979 BVMBKLZYFBJPNC-TZIWHRDSSA-N 435.547 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCOC1 1705678016 LENBTRHXAOMGAT-HTAPYJJXSA-N 431.005 4.643 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1705729169 NTGMUUCZFPKYQT-WOIUINJBSA-N 441.595 4.627 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCOc2ccc(F)c(Cl)c2)CC1 1705780015 BQAGAWDOSVXDMQ-UHFFFAOYSA-N 441.938 4.922 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 1705781119 PWVDIUVKPKXVMR-UHFFFAOYSA-N 433.556 4.872 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC[C@@H](OC)C(F)(F)F 1705859475 AUGWHPFRRYIVBX-LJQANCHMSA-N 433.478 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1705872731 JDWSWEZMDANCKW-UHFFFAOYSA-N 440.338 4.521 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2ccccc2F)C1 1705885609 YFDMMPIHFFOUEV-UAPYVXQJSA-N 441.576 4.530 30 10 IJEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2sccc2[C@H]1CC 1705897779 UBBBSQBVOVOBSZ-TZIWHRDSSA-N 449.624 4.698 30 10 IJEE CC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2Cl)CC1 1706949209 HPGZXJLNMJCNBV-UHFFFAOYSA-N 436.947 4.571 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C1CCCCC1)N(C)C 1722278636 QDELZMSOIHOKFE-NNMXDRDESA-N 441.595 4.526 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCCCCC2)C1 1722326107 DFOCCBISDJOECD-HXUWFJFHSA-N 440.563 4.900 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC(F)(F)F)cc1 1722407378 JOFHOFLZOAZNQX-UHFFFAOYSA-N 449.864 4.594 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722416775 SJDCLMILNHFMHS-BCDXTJNWSA-N 433.021 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(Cc1ccco1)C(C)C 1722493000 HZSXMIHUYBGAFR-OFNKIYASSA-N 436.556 4.943 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)CC1CCC1 1722496945 PGLKTYHYXMNFRA-NZQKXSOJSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCSC(CC)(CC)C1 1722510918 XVIOUECRLWPDNS-ZCNNSNEGSA-N 434.650 4.613 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCCC2(C)C)CC1 1722563932 CRPPYDCSXDGFMR-HOYKHHGWSA-N 428.552 4.655 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1722579736 JSNCXMBGKVPIKC-OAQYLSRUSA-N 445.652 4.963 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1722585472 XUEZHQGYYCQWML-HNNXBMFYSA-N 446.020 4.710 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722606122 FFWDRQFFFRHAQB-HDICACEKSA-N 429.515 4.813 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1722607174 OMEYCZKOUQZPNN-LJQANCHMSA-N 432.515 4.766 30 10 IJEE C=CCCCn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722623561 VIPAIBOESKTOGG-UUOWRZLLSA-N 428.552 4.548 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCN(CC(C)C)C1 1722633142 PDUITMDFQJMAAH-SFHVURJKSA-N 446.437 4.698 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722742317 PUYASJFAMSFRHV-OAQYLSRUSA-N 448.583 4.786 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CCS1 1726471314 GKBGQHCMJRXBBU-WOIUINJBSA-N 439.629 4.600 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1726964333 BZPHZRVNAXXZRF-XLNZFTOWSA-N 444.624 4.569 30 10 IJEE N#CC1CCN(c2nnc(-c3ccccc3)n2Cc2cc(Br)cs2)CC1 1731185543 GDMCDBZKILQLKG-UHFFFAOYSA-N 428.359 4.557 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nc(C)c(C)s1 1740533495 BTTMAUOALXMPKT-APWZRJJASA-N 437.613 4.809 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccsc1)N(CC)CC 1740541971 LLNMSDZEJFRZBD-VQIMIIECSA-N 443.020 4.596 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C2CCCC2)CC1 1740565684 DZPLPTLRUZVAEM-UHFFFAOYSA-N 426.008 4.857 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCO[C@H]1CCCC[C@H]1C 1740648423 GOAKRXRHDMHEEK-GPXOXTDOSA-N 432.612 4.878 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)N(CC)CC 1740735136 KGRGQFUMGJUJJL-GBXCKJPGSA-N 425.646 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccsc1)N(C)C 1740776861 DUMIXAWPHZDFHX-NJDAHSKKSA-N 445.677 4.964 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCCC)CC1 1740790305 GFYDTDYSZKKGDM-LJQANCHMSA-N 432.996 4.977 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCOCC2(CC2)C1 1740815520 BSAJWGDHYHWGNI-UHFFFAOYSA-N 425.385 4.593 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740849156 ZYIJUTAYYIAQMR-NHCUHLMSSA-N 428.552 4.839 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740866056 VCLVDHPOXVZOCO-GBESFXJTSA-N 427.618 4.641 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ncccc1C)C1CC1 1740906376 GBKYNJHFGGPMTP-UHFFFAOYSA-N 438.373 4.923 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC1(OC)CCCC1 1740928199 XUBXOURKIIXYPA-UHFFFAOYSA-N 437.407 4.907 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC2(CCCCC2)O1 1740931591 RRPUUIUOXLBJOT-QFIPXVFZSA-N 436.600 4.938 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(CC)C2)cc1 1740967623 LYATWIOUDKZPGU-XMMPIXPASA-N 437.613 4.873 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(Cl)c(OC)c2)C1 1740983335 GLZZCMUENSISGH-HXUWFJFHSA-N 445.007 4.697 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1741000682 DNGSYINLTMZEJS-JOCHJYFZSA-N 441.645 4.828 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@@H](F)C2)cc1 1741527164 DLZRRWIHJRLWMF-FPGHNAPASA-N 443.542 4.950 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2ccoc2)cc1 1746833462 FTJRDWLESDCJJW-GOSISDBHSA-N 435.528 4.588 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1sc(C)nc1C 1748640065 QEUGLXQVDFPIKO-APWZRJJASA-N 437.613 4.809 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C(C)C)N1CCCC1 1748771861 PGUYXTBOMVLEPE-NRFANRHFSA-N 448.640 4.567 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCc1cc(C(F)(F)F)ccn1 1748915453 ZTPOTTKNKNNCEK-UHFFFAOYSA-N 439.441 4.807 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1749022608 LBTZZCIKRVPPIY-HXUWFJFHSA-N 437.613 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1ccc(C)cc1 1749120489 DXVMLBAHZGLVBI-OFNKIYASSA-N 436.556 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1749156190 RGVIVVJJHFGYHG-QFIPXVFZSA-N 438.551 4.604 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)Sc2ccccc2)CC1 1749324569 YIEXKFMHEWWAEG-GOSISDBHSA-N 448.596 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cncn2)C1 1749359669 MPNVQZRPCRIJOM-KRWDZBQOSA-N 425.968 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(CC)Cc1cnn(C)c1 1749364257 OFYNLQXGBMAVMJ-UHFFFAOYSA-N 445.571 4.962 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnn(C)c1C 1749392004 XKPKOGAJIHWIGD-UHFFFAOYSA-N 443.393 4.742 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@H]1CC 1749424345 GPWMMXGOXGSSEO-RTBURBONSA-N 434.588 4.656 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@](C)(O)C(C)C)C1CC1 1749527782 RHUKTGCJZFXVBE-OAQYLSRUSA-N 439.387 4.726 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C)cs1 1749564743 YPFOECSFAUNPEL-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccccc1Cl 1749578508 AEMMTKHFSYOQCZ-JOCHJYFZSA-N 428.989 4.670 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@](C)(O)c1cc(C)oc1C 1749587457 VEUJHWJDRVTIAZ-AREMUKBSSA-N 446.551 4.891 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1750737298 ALGUSALQOKWNIP-VWLOTQADSA-N 448.546 4.981 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)c2nccs2)cc1 1751585232 AVFPYEJFFNLQBB-KKSFZXQISA-N 442.589 4.581 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H](C)c1nccs1 1760141351 RETWWPMPINCFAF-IBGZPJMESA-N 432.597 4.781 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)C[C@@H]1CC 1760147428 RAJLXXYYFLDVRZ-HOTGVXAUSA-N 431.378 4.754 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCC)C1 1760276940 UJZZMANOHPTXNU-MRXNPFEDSA-N 439.412 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC1(N2CCSCC2)CCCCC1 1760295745 VXTSKYGROOIHQS-XMMPIXPASA-N 443.705 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC1(COC)CCC1 1760298679 QVYSAWHGASMIEU-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1760321032 AUKKMMWGAIAPPT-KPLVRAHFSA-N 445.007 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CCc1ccn(-c2ccc(F)cc2)n1 1760332221 WIOSVMCGHYSYLS-UHFFFAOYSA-N 434.519 4.816 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C2CC2)N(C)C)CC1 1760397128 NCPWFSKXOSMOJU-OFNKIYASSA-N 437.632 4.778 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)C)CC1 1760428618 ZXVVSFTVYZXKMU-QFIPXVFZSA-N 426.561 4.541 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760433766 MABBZSLHSMUBGI-QFIPXVFZSA-N 434.588 4.520 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1760473083 YUOPDAIWBRVTOT-UHFFFAOYSA-N 431.437 4.896 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(SCC)c1 1760480963 KBEZOWKJCOUKAZ-JOCHJYFZSA-N 449.624 4.920 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@H]1N(C)CCCC1(C)C 1760483655 XRAWCVAFQXYVDG-QFIPXVFZSA-N 436.579 4.725 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(OCC)CCCC2)C1 1760542321 FXOFOKQWVWOJPE-OAQYLSRUSA-N 445.007 4.653 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2nccs2)CC1 1760561008 NDQNOSFUCOAPNZ-UHFFFAOYSA-N 436.610 4.576 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nnc1C(C)(C)C 1760568262 DCBGFRHZTRCOQV-OAHLLOKOSA-N 442.555 4.552 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1 1763411342 GMANBNDFPXPGTK-AVRWGWEMSA-N 448.571 4.527 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc[nH]2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C 1765784544 HVYFSSZMWUTXRT-DEOSSOPVSA-N 444.583 4.890 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@](C)(OC)C1CC1 1769871807 BYVVIFXGXSQOSV-XZOQPEGZSA-N 443.979 4.552 30 10 IJEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cccn(CC(C)C)c1=O 1861288481 CRABAEGHMXVWMU-RUZDIDTESA-N 433.637 4.660 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861963333 TZZILHOSZGUHMY-AWEZNQCLSA-N 435.804 4.699 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 1862413908 NNBIZXDPIAZELY-NRFANRHFSA-N 447.453 4.889 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862434097 RHRAPBHICSFSTN-OAQYLSRUSA-N 436.895 4.778 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 1862448701 SRIZUTIWTUCBMB-LJQANCHMSA-N 426.856 4.769 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503085 PFHTZXHYZKDQAO-HXUWFJFHSA-N 431.891 4.528 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@H]2c2ccccc2)ccc1F 1862507823 VCAPDJUZNAKIGH-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862512257 RCZOKTRHRXBEGM-SFHVURJKSA-N 432.835 4.684 30 10 IJEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(O)c2)cc1 1862555599 XSQKGCFUZKJYCZ-UPCLLVRISA-N 442.515 4.876 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1cccc(O)c1 1862602837 LQRBWDFZHJXGNF-XMMPIXPASA-N 441.483 4.712 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862679867 OXYMBIXSCTZCDC-QHCPKHFHSA-N 436.527 4.833 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862687684 NZKIFUJGGTWWRV-XMMPIXPASA-N 445.490 4.964 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)c1 1863025838 IZIKGKHSINRGRC-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE C=CCNC1=C(c2ccccc2Cl)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1863780404 MLPXCRYNFXRULJ-UHFFFAOYSA-N 428.919 4.985 30 10 IJEE O=C(C[C@H](CNC(=O)C(F)(F)F)c1ccccc1)Nc1cccc(C(F)(F)F)c1F 1865983425 OJNQJGGEOFRMOC-GFCCVEGCSA-N 436.327 4.635 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868268612 QMHAGPYEDDXYRJ-QFIPXVFZSA-N 427.552 4.881 30 10 IJEE COc1cccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)c1 1870146864 LUUHFDUSVBWESV-UHFFFAOYSA-N 437.503 4.694 30 10 IJEE C#CCOc1cn(CCC)c(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 1870299171 YIMJIXZIUCZJTC-UHFFFAOYSA-N 429.545 4.902 30 10 IJEE CCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1Cl 1870349032 WRMBEOQDGGGXIP-UHFFFAOYSA-N 435.955 4.842 30 10 IJEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN(CC)CCO 1870691829 QSDXZAWNOXVXSW-UHFFFAOYSA-N 428.617 4.645 30 10 IJEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870809567 JQTUOHQWLYGKKX-UHFFFAOYSA-N 429.564 4.982 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1ccc(F)cc1 1871134943 NGUJAYFHKYZCFA-UHFFFAOYSA-N 445.579 4.865 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)ccc2C1=O 1871363303 AUTATCVNHXRMKY-QRVIBDJDSA-N 444.443 4.805 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1OC 1871374780 ZDUVEKOIJYAEJH-BKUYFWCQSA-N 436.485 4.838 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871389424 VEWMDJKKEOXVEC-QRVIBDJDSA-N 444.439 4.846 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)c1 1871430726 PWZMKROITXUPSS-UUYOSTAYSA-N 426.428 4.539 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 1871456661 PLVHEDSXNYEUES-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(N3CCCC3)cc2)nc(N(CC=C)CC=C)n1 1871734530 XRDSBDMJFFQKTJ-UHFFFAOYSA-N 431.588 4.572 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1871793293 XIYNSNAETOJAHA-LJQANCHMSA-N 441.380 4.978 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(OCC)cc1 1872213802 RCPLZRBFNZNCTE-GOSISDBHSA-N 444.597 4.587 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872516781 ZMGZPMGYRLYITH-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N3CCCCCC3)ncnc21 1873594549 WPHCAVNOGCIIRV-UHFFFAOYSA-N 431.584 4.750 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)c(OCC)c2)cc2c(N(CC)CC)ncnc21 1873670924 XDHXEHUDBJOIMI-UHFFFAOYSA-N 437.544 4.513 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 1874215609 UOTGTQBKOCHDOL-FOKLQQMPSA-N 444.944 4.518 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874445976 PPYBECJFQBSSSQ-KCDOPAPYSA-N 442.928 4.656 30 10 IJEE CCOc1c(/C=N/n2c(COC)nnc2SCc2cccc(Cl)c2)cccc1OC 1874505874 CMBYVCHTWYRGPS-FSJBWODESA-N 446.960 4.660 30 10 IJEE CCCOc1cccc(/C=N/n2c(CCC)nnc2SCC(=O)N(CCC)CCC)c1 1874510237 IQDKVRARSYPICW-JJIBRWJFSA-N 445.633 4.642 30 10 IJEE Oc1ccc(Br)cc1/C=N/n1c(SCc2ccccc2)nnc1C1CC1 1874519837 ODRIEOMCKDOOOW-SRZZPIQSSA-N 429.343 4.798 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(NC(C)=O)cc2)CSc2nnc(CC)n21 1874834055 VQRAIPFARFYCFV-FQEVSTJZSA-N 443.617 4.861 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(C)cc1 1875094715 GAVMDQMTELXMRF-ZRDIBKRKSA-N 431.444 4.956 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 1875126990 JQFPZFCZJYPVQE-CSKARUKUSA-N 433.416 4.727 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccccc2C(F)(F)F)[C@H]1c1ccc(C#N)cc1 1889842780 COTGZSXJLQGBRA-UXHICEINSA-N 447.482 4.609 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1890948003 PCQIQOLJVLXICU-UHFFFAOYSA-N 434.499 4.852 30 10 IJEE CCCC#CCSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1903042524 GQKKDHDPFFCWKA-HSZRJFAPSA-N 437.561 4.905 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1csc(CNC(=O)OC(C)(C)C)n1 1922077699 PNDLRZDNJDCODM-OAQYLSRUSA-N 431.602 4.982 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 1922085872 MADXVWDIJMQVFX-FXSPECFOSA-N 446.632 4.668 30 10 IJEE N#Cc1cc(Cl)nc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1959299018 GBTSAKCSCGECBY-UHFFFAOYSA-N 448.910 4.879 30 10 IJEE Cc1cc(C#N)cc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1963031243 DELSJNTZTLWQKJ-UHFFFAOYSA-N 437.499 4.877 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CCC1 1987026012 VVYSMPJOWAIRCB-LROUJFHJSA-N 444.575 4.858 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2020307974 IXHQHYVDPCQFLY-IERDGZPVSA-N 436.557 4.853 30 10 IJEE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@](C)(O)C(C)(C)O)C[C@H](O)C[C@H]1O 2053589016 KRGCLKZOZQUAFK-HYGBGHJESA-N 444.656 4.842 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 2078849739 YTARYKLZXRFONO-NTKDMRAZSA-N 445.560 4.976 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)c(F)c1F 2079943472 CBIOZBIOLPNVPY-JTQLQIEISA-N 447.267 4.789 30 10 IJEE Nc1c(C(=O)O)c(C(F)(F)F)nn1[C@@H](c1ccc(C(F)(F)F)cc1F)C1CCC1 2079971475 HQVBRBUWQWPUGF-GFCCVEGCSA-N 425.304 4.730 30 10 IJEE COc1ccc(Br)c(Cn2nc(C3CCC3)c(C#N)c2Br)c1 2080291923 DXSFJHRASGHIAP-UHFFFAOYSA-N 425.124 4.604 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)COCCN2C(=O)OC(C)(C)C)c1 2081188772 WKJJZRGMBRYKHG-CYFREDJKSA-N 445.560 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 2174814183 FMVWWOVTMMCWCE-DNVCBOLYSA-N 434.378 4.937 30 10 IJEE C#CC[C@H](CN(C)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CC1 2196767058 UAYZVIHZHVQXPX-OAHLLOKOSA-N 435.362 4.918 30 10 IJEE N#Cc1ccc(Oc2ccc(I)cc2[N+](=O)[O-])c(Br)c1 2197256446 CRCJQGBEEPJXEV-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE C[C@@H](CC1CCN(Cc2ccc(Br)cc2C#N)CC1)NC(=O)OC(C)(C)C 2203631691 NEXANKQPONWSAZ-HNNXBMFYSA-N 436.394 4.836 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)COc1ncc(C(F)(F)F)cc1Br 2224050674 SKAJZLIHVGCQEK-UHFFFAOYSA-N 425.245 4.713 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](N)C#Cc3ccccc3Br)CCCC[C@@H]12 2235725346 WOOCRJMAIGJNGY-KNKQGSTJSA-N 433.390 4.698 30 10 IJEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241476186 NEXDKTUZDUISSN-UHFFFAOYSA-N 448.397 4.593 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CC#N 2243925485 WQBPOYPGBVSLCZ-KBMIEXCESA-N 445.563 4.844 30 10 IJEE C[C@H]1CN(c2c(Br)cccc2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2248972985 MOCXBENGWLVDKU-IYBDPMFKSA-N 428.330 4.557 30 10 IJEE CCCN[C@H](C#CC1CCCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2260978721 APEHDVXRWBFFEF-RPBOFIJWSA-N 441.660 4.964 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266050925 GUWMHRBRLRJYFF-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CN(Cc1ccccc1I)c1ccc(C#N)c(Br)c1F 2280256841 HJAGXGAVPXVYFI-UHFFFAOYSA-N 445.073 4.701 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2ccc(Br)cc2C#N)CCC1 2289529988 YDLGRGTVYNYYMV-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE O=C(O)c1ccc(C=CC(=O)c2cc(Br)cc(Br)c2O)cc1 2293490525 RQWFUBASIQAWBL-UHFFFAOYSA-N 426.060 4.512 30 10 IJEE C=CCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 2296235704 ZVARSPNDYNXPAK-KRWDZBQOSA-N 432.701 4.710 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](CC(F)F)NC(=O)OC(C)(C)C 2296275426 ZDMLWRXABJUQQM-SJORKVTESA-N 445.348 4.717 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296296353 MYOAEXKPJMFAKU-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](CC(C)C)CC(=O)O4)C2=O)c(OC)c1OC 2297640006 BLTRZJKQEUMWFA-OAHLLOKOSA-N 438.476 4.767 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2314429636 LFPVZZFLQJDZNQ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCOc1ccccc1C=Nn1c(C)nnc1SCC(=O)Nc1c(C)cccc1C 2321142960 NXSOVJDGNOOCNV-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN(Cc1ccccc1)CO2 2322312338 SWEUVOFLNMQWQJ-UHFFFAOYSA-N 428.444 4.872 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCCCO)cc1OCCC 2322510755 FUSRETBIMCBKSV-UHFFFAOYSA-N 428.525 4.930 30 10 IJEE CC(C)(C)n1ncc(NN=Cc2c(O)ccc3cc(Br)ccc23)c(Cl)c1=O 2322601395 NRBLLSDIOSAEBJ-UHFFFAOYSA-N 449.736 4.719 30 10 IJEE COc1ccc(-c2cc(O)nc(NN=Cc3cc(Cl)c(OC)c(Cl)c3OC)n2)cc1 2323260710 RMFIRZKLHIFUHU-UHFFFAOYSA-N 449.294 4.628 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Br 2323790766 IRIQRODWHOXCMA-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324140786 RNMQAQKHVUMTRN-GOSISDBHSA-N 427.928 4.707 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OCCCO 2324324689 KRFZULNGNMHDGB-UHFFFAOYSA-N 441.307 4.677 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1C 2324406436 UUKLNHDIBZODJD-SFHVURJKSA-N 432.501 4.788 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccc(C)cc1 2325746633 XSXMHLIDCJEDIN-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCCSC)c2)c(OC)c1OC 2325787871 LARPAJSLYWQNKX-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCCO)n2N=Cc2ccc(Cl)cc2)c1 2327033213 QFBXDALIOKVLBR-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE CC(C)c1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCCO)cc1 2327593201 NYPMNYBBIULLAE-UHFFFAOYSA-N 430.961 4.601 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1OC 2330705818 BUABPFIQSOLCSB-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE C=CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCCCC)c(OCC)c1 2330974571 QWEFNQHAABZJOS-LJQANCHMSA-N 430.574 4.868 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)cc1 2331115724 XFKHTPREKLIWNK-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(F)cc1 2331320258 OVGKETWQMFODOO-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccccc1OC 2331327408 CGEDRRNPGJMXMA-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2339604332 NWWVQPVNWMOIIJ-LVMGUKCRSA-N 441.381 4.538 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2360194849 SLXPDIHDVFJZIM-HQRMLTQVSA-N 435.406 4.814 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](CCc1ccc(OC)cc1Br)NCC 2364848474 HQIPHFJKKOWENP-OALUTQOASA-N 441.410 4.838 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2369625114 NFMQYPVHWZSSHU-HPUZDQILSA-N 447.428 4.768 30 10 IJEE C=CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccc(OC)cc3s2)cc1 33088168 PNOVFUUUUDKGLS-QGZVFWFLSA-N 432.505 4.530 30 10 IJEE CC[C@H](C)n1c(O)c(C(=O)c2oc3cc(Br)ccc3c2C)c(C)c(C#N)c1=O 38617423 QNMKZJAGHRCNGN-JTQLQIEISA-N 443.297 4.753 30 10 IJEE CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3ccccc3Cl)c2C1 40570046 YEJRAKBDGBIFIB-UHFFFAOYSA-N 448.979 4.992 30 10 IJEE CCOc1c(OC)cc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1OC 169931820 GDEIIYSDWSPOMO-NRFANRHFSA-N 440.565 4.511 30 10 IJEE COc1cccc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)c1OCc1ccccc1Cl 169936639 LMANCUIXHAGKIE-FQEVSTJZSA-N 430.957 4.652 30 10 IJEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1[N+](=O)[O-] 169941518 CYRKTTFVLDJAFL-UUYOSTAYSA-N 439.497 4.912 30 10 IJEE CCCOc1c(Cl)cc(/C=N\Nc2nc(C)c(C(=O)OCC)s2)cc1OCC 169943375 WIANAPWKHYGPTH-NHDPSOOVSA-N 425.938 4.915 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2ccccn2)cc1 169994804 VIORJIGQTULHMT-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1 170006822 LTWXNGHWKMKAHG-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc2ccccc12 170046054 DHNNGHURDZEUNT-HSZRJFAPSA-N 433.479 4.902 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)c1 170049647 HVTZRFRHJSGKBQ-XMMPIXPASA-N 441.483 4.858 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(O)cc1 170133554 FOSRXUZIQKUKIG-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3cccc(C)c3)oc12 170143661 QJNXCLUAQSDJNG-AVRDEDQJSA-N 447.487 4.507 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1cccs1 170155203 MDWADZCAYSTETO-SFHVURJKSA-N 449.956 4.722 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 170167091 UKRIAZXBJBGVMV-OAQYLSRUSA-N 435.476 4.601 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)c1 170167662 IGDFNYGTABGJAO-QFIPXVFZSA-N 426.428 4.619 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1OC 170258449 GWPGODPSEKVXGP-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(O)cc1 170451588 XNYUXWUZYVUQOF-QGZVFWFLSA-N 428.897 4.780 30 10 IJEE CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Br)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 256518011 ZNELXLYMMBIRSK-NAJXOFDYSA-N 449.385 4.908 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H](CN(C)Cc1ccccc1)C(C)C 398071487 ZAJREWLWVQMSLD-JOCHJYFZSA-N 429.402 4.707 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 407490527 AEMAAJVCELXSBC-SJORKVTESA-N 429.786 4.540 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ncccc1Br)NCCC 407815882 NYXHWZHKYIMEFC-SJLPKXTDSA-N 426.399 4.614 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Cc2sc(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 410117326 HTSYXEYHIRFEBU-NRFANRHFSA-N 445.588 4.573 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 410350799 FKSRKKRTEHRDPT-UHFFFAOYSA-N 431.536 4.966 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 514692855 FJQOTZISIGXBER-CQSZACIVSA-N 448.470 4.717 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 518032318 TWDMYVAVZNSAPH-UHFFFAOYSA-N 426.451 4.664 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)c1c(C)nn(C)c1C)c1ccc2c(c1)OCO2 521089545 ROEDXYNCEQMDJT-KRWDZBQOSA-N 447.535 4.667 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 523948411 WIFGHRZYVZQSRV-NRFANRHFSA-N 431.879 4.539 30 10 IJEE CS(=O)(=O)c1ccc(-c2nc(COc3ccc(Oc4ccc(C#N)cc4)cc3)co2)cc1 534867837 BDLBYKYHACJCCN-UHFFFAOYSA-N 446.484 4.988 30 10 IJEE C=C(C)Cn1c(SCc2coc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccncc1 542932748 YPBGVVPDPABNDL-UHFFFAOYSA-N 447.520 4.650 30 10 IJEE CCN1C(=O)CCc2cc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)ccc21 546047047 BEAGPAJYHKELPM-OAHLLOKOSA-N 436.581 4.627 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 549641184 JQBGIXZISIAWAF-JPYJTQIMSA-N 436.531 4.559 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 549690411 BKGQTEPSDULLLT-OAHLLOKOSA-N 447.370 4.979 30 10 IJEE C[C@H]1CCc2c(sc3nc([C@H](C)N(C)CCOCc4ccc(C#N)cc4)nc(O)c23)C1 558173001 ODZQZDKTLYOHTM-HOTGVXAUSA-N 436.581 4.603 30 10 IJEE CCOc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(CC)cc2)cc1 586265896 QNSPYVVMSXAJPC-UHFFFAOYSA-N 434.517 4.555 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 669811238 NSGJLENBOOAFND-NRFANRHFSA-N 449.603 4.525 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H]1c1cnn(C)c1 685552054 LJZYGVOXSYEMMS-QGZVFWFLSA-N 447.768 4.622 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC2(CC1)OCCO2 710734873 FDENJOOROIRDAT-UHFFFAOYSA-N 437.334 4.770 30 10 IJEE C=CCC1([C@@H](Cc2ccc(Br)c(F)c2)NCC)CN(C(=O)OC(C)(C)C)C1 722932531 FFUQMEDBASMOAJ-GOSISDBHSA-N 441.385 4.922 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 735306764 TWSOFRMRYKEUQI-UHFFFAOYSA-N 437.893 4.969 30 10 IJEE O=C(/C=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc(C(F)(F)F)nc1O 743058399 YIGIPUOXLFTFFC-XSHSDMCLSA-N 427.806 4.913 30 10 IJEE N#CCN(C(=O)COC(=O)c1csc(-c2cccc3ccccc23)n1)c1ccccc1 778190648 FVRYEKIKSLTASC-UHFFFAOYSA-N 427.485 4.677 30 10 IJEE C=CC[C@]1(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 791776889 IICGNIXNYATGOR-NPMXOYFQSA-N 444.482 4.953 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 818857062 LDGABXBILMZFHB-PMACEKPBSA-N 444.572 4.512 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 1084169858 MMKDZGDZNGTJIG-WNRXLXBKSA-N 446.458 4.665 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 1084473785 UEHHKVVDZRRKPV-MQHKOQSMSA-N 426.933 4.690 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3ccncc3)n2)cc1 1084494264 KCAHRRMUBGCYQZ-HNNXBMFYSA-N 437.573 4.670 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(COC(C)C)cc2)c(C(=O)OCC)c1C 1124756568 ISOSDGOZRXVYLO-UHFFFAOYSA-N 445.537 4.753 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c1 1125778656 RJIPHOFOHAZDPF-UHFFFAOYSA-N 436.895 4.714 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CCNC(=O)Nc1ccc(Br)cc1 1128600307 IJMYKCISVLGRKC-UHFFFAOYSA-N 430.346 4.566 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 1128810505 DZMJOOOYRFQBCE-JOCHJYFZSA-N 430.552 4.575 30 10 IJEE C#C[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1129609300 RNUSFIXERADDJL-SFHVURJKSA-N 429.701 4.791 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 1137426038 VALKEFBINWEIRZ-DNQXCXABSA-N 448.563 4.628 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@](C)(Cc3ccccc3)c3ccccc3)n[nH]2)c1C 1142206591 CSTMPVMQQQEUOR-MHZLTWQESA-N 439.563 4.964 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 1148991718 MATYSXPGQRTIHX-OKZBNKHCSA-N 445.387 4.550 30 10 IJEE C=CC1CCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 1186940892 LRVZWKHESCFUAM-BJKOFHAPSA-N 445.028 4.536 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 1205658430 DQYADTBZNVOJTI-UHFFFAOYSA-N 449.532 4.760 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 1214911602 BVSFMSZTFUDPEZ-XMMPIXPASA-N 445.519 4.780 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(Br)ccn1 1217371993 RUYXJSDXXFDACW-UHFFFAOYSA-N 443.114 4.966 30 10 IJEE COC(=O)c1cccc(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1Br 1217451507 CBZGIUPNJYJRBN-UHFFFAOYSA-N 442.313 4.519 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1221909319 FGJGFOBUTUJKRW-QFIPXVFZSA-N 429.605 4.900 30 10 IJEE C#C[C@H](NC(=O)NC1(CNC(=O)OC(C)(C)C)CCCCC1)c1ccc(Cl)cc1F 1230510911 NCJIFMHESUPIIA-SFHVURJKSA-N 437.943 4.680 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NCc2cc(F)ccc2N2CCOCC2)cc1 1265295831 HMMCGCSHMCKMGL-UHFFFAOYSA-N 447.535 4.615 30 10 IJEE CC(=O)N[C@@](C)(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(C)C 1265535639 BLBGFBFDNLOFDY-OAQYLSRUSA-N 433.430 4.859 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(-c2cccc(C#N)c2)cc1 1268921458 DLEWZSCROBYKEQ-VGSWGCGISA-N 427.479 4.595 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnn(-c3ccccc3C)c2C(F)F)c(OC)c1 1277901133 KQXDXLQHWMKHIT-UHFFFAOYSA-N 427.451 4.873 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H](C)c1ncc(C)s1 1286458483 VQJBFEMFVZTDOU-KRWDZBQOSA-N 425.577 4.824 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC1 1286534260 RGBNGYCSVAHTML-UHFFFAOYSA-N 440.183 4.771 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](OCC(C)C)C1 1286597302 GTVVFAIDYQQFSJ-KRWDZBQOSA-N 439.387 4.991 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1286830978 XQCNMUPUBGLNOJ-FGZHOGPDSA-N 439.673 4.955 30 10 IJEE C/C(=C\c1ccccc1)CN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1286837826 ORTPGIQXGLTHCY-GZTJUZNOSA-N 444.564 4.687 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2cccc(Br)c2)no1 1291876585 DZBFNJBANPFBDU-UHFFFAOYSA-N 427.298 4.941 30 10 IJEE COc1ccc([C@@H](C)CCn2c(-c3cccc(C)n3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1299979999 BGXBJPMOFPPWSL-SIBVEZHUSA-N 444.583 4.981 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1300293832 SLPIYWJWAKGNOF-AQNXPRMDSA-N 428.024 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(COCC(F)(F)F)c1 1300316672 BJGHLZDTESDBDP-KRWDZBQOSA-N 434.506 4.596 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCCC1 1300410159 XKBSNWRLMRHCMH-FQEVSTJZSA-N 429.609 4.577 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1300634315 YNJJWIQHLLGQEV-UHFFFAOYSA-N 447.608 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCC1 1300788106 RHFUOQVPHNJSIO-PXDATVDWSA-N 435.616 4.511 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1300833706 AXOXHJWPFGMOLE-CABCVRRESA-N 426.362 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCC(F)(F)C1 1300909500 USCPSUCHNXWZES-GOSISDBHSA-N 426.515 4.969 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2nnc(C(C)(C)C)s2)CC1 1301119513 LVAZYGRGBRQXIG-UHFFFAOYSA-N 426.565 4.684 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1301166777 ZPYUAGNFRKDHDD-JOCHJYFZSA-N 435.616 4.647 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CCOCC2)C1 1301175519 CXBBNZMCHGIIES-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301178926 UXBYBBDUSRAWKE-LJQANCHMSA-N 444.023 4.644 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(F)(F)CC1)C(C)C 1301367397 NEYJXGAGKHUTCU-NRFANRHFSA-N 444.574 4.583 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCC2)C1)C(C)C 1301368192 YUMQVHVAWIJFFA-DEOSSOPVSA-N 444.627 4.896 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2ccc(C)s2)cc1 1301517913 CVTWTUBGNVSKPK-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301529155 HOJSNPIXSYPQFM-WIYYLYMNSA-N 434.588 4.652 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC(F)(F)C2)C1 1301566151 KSTXJDOMTHHNFL-RTWAWAEBSA-N 430.543 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(F)(F)F)C1 1301567806 YOUXAYGSXFFMFK-QGZVFWFLSA-N 438.494 4.633 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)C(=O)OC 1303688204 VSASGSQBTCSRFO-SFHVURJKSA-N 445.972 4.736 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccc(C)cc1 1307321461 AYAKDXZZKAPJGT-IBGZPJMESA-N 427.957 4.969 30 10 IJEE COC(=O)c1cc(C)c(C)c(S(=O)(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1309390814 IAGGYYLNUROHMA-GOSISDBHSA-N 448.544 4.668 30 10 IJEE CCOC(=O)C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1C 1310086626 FFTOXUNQVNMWJI-NRFANRHFSA-N 448.548 4.730 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 1312934792 RRNJJESSLOLHLD-GOSISDBHSA-N 440.733 4.992 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2)c1ccc(Cl)cc1F 1312944335 UVEVGQVOZUKAEE-WBCYEJBOSA-N 449.954 4.631 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(-c3cccc(Cl)c3)n(Cc3ccco3)c2=S)C1 1320030339 HOYNEDNROJTDPS-LJQANCHMSA-N 430.961 4.610 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 1350765716 LYOQBACEOCDOLM-GOSISDBHSA-N 443.565 4.514 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 1352839174 ZNMHHSFTRYJJHU-UHFFFAOYSA-N 440.499 4.670 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc(F)c(Cl)c2)c(C(=O)OCC)c1C 1357818948 YKHSCUMCAPPKRX-UHFFFAOYSA-N 439.892 4.550 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)ns2)cc1 1358122544 CJMHTLJTTPOCEC-UHFFFAOYSA-N 442.338 4.741 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1359123643 DQMKGWWQIOPQDP-PKTZIBPZSA-N 437.632 4.832 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccc(C)s1 1359127579 UYIJYNZUEGJLBB-UHFFFAOYSA-N 448.596 4.934 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1359162437 QNAPJRGCCLQXNF-PMACEKPBSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1 1359189808 VZIHWYPDEGNYRT-LJQANCHMSA-N 447.624 4.569 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2cscn2)CC1 1359199772 HEEYPAOWMYTUTB-UHFFFAOYSA-N 436.629 4.643 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1359203987 ZUOVEMVGNFKMDB-FQEVSTJZSA-N 440.588 4.585 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1359210919 MVUWAJSSNFYQAD-GOSISDBHSA-N 435.528 4.967 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CCOc1ccc(F)c(Cl)c1)C1CC1 1359252772 GBQFGUJFMPKJNO-UHFFFAOYSA-N 432.952 4.957 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(N(C)C)CCCCC2)C1 1359316836 XFYKSBWMNWJWOY-NRFANRHFSA-N 444.023 4.644 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C 1445037474 WTMRRJWFVOJVEX-UHFFFAOYSA-N 442.288 4.655 30 10 IJEE C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CN1Cc1ccccc1 1445786504 HDUYZEVKZOQEPO-RDPSFJRHSA-N 425.532 4.938 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)F 1454555804 MNMQDNATMDWPSP-NRFANRHFSA-N 444.934 4.901 30 10 IJEE C=CCOc1ccc(CC(=O)O[C@@H](c2cccc(Br)n2)C(F)(F)F)cc1 1460399828 FPVOHOXQMWPEEC-KRWDZBQOSA-N 430.220 4.798 30 10 IJEE N#Cc1ccc(CN2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)c(Cl)c1 1460810872 FPCLOQPYWVEZRQ-FQEVSTJZSA-N 427.733 4.845 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(OCC)c(C)n2)nnc1-c1ccc(Cl)cc1 1461774603 JSCJPKURBAHESS-UHFFFAOYSA-N 443.960 4.617 30 10 IJEE C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1465223091 GXKPZSNNZADWQL-SJLPKXTDSA-N 436.512 4.720 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ncccn2)cc1C)c1ccc(Br)cc1 1465425597 JTKVEQAIXTVFGN-GOSISDBHSA-N 437.297 4.836 30 10 IJEE C=CCOc1ccc(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1OC 1466712244 IMCLKLRPZPSMQU-SFHVURJKSA-N 434.561 4.919 30 10 IJEE C[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1466806041 GQAGXAFHIBUUBQ-CABZTGNLSA-N 430.839 4.681 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1 1470124872 ZWEARHVHHKTZLF-UHFFFAOYSA-N 437.540 4.866 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1cc(Br)cnc1OC 1472998152 FGYWIHDWNIAMDL-UHFFFAOYSA-N 447.358 4.502 30 10 IJEE C=CCN(CC=C)[C@@H](CNCc1cc(C)c(I)cc1C)C(C)C 1473927373 KBEWTJAQYPCIJP-FQEVSTJZSA-N 426.386 4.696 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC)C[C@@H]1COc2ccccc2O1 1476729678 XOLLPLFAJPPEHW-MRXNPFEDSA-N 447.329 4.708 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N(CCO)[C@@H]1C[C@H]2CC[C@H]1C2 1476792014 BSRCGZHEPOHBHO-SLEUVZQESA-N 442.375 4.991 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1477903182 PVJFOMOQKUCTFZ-SFHVURJKSA-N 425.495 4.942 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN1CCCCC1 1507519608 TXBCLFWEHKHVLK-IBGZPJMESA-N 448.640 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCSCC(F)(F)F 1507648372 JNKOPQOWLRNZCR-UHFFFAOYSA-N 434.531 4.611 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1507699590 FZHXJYRZNWVKOW-RXFWQSSRSA-N 448.590 4.563 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC=C(C(C)(C)C)CC1 1507757190 QKSLOIXOEQZYHM-UHFFFAOYSA-N 428.577 4.545 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1ccccn1 1507763530 CLPKDBZCUOFEOT-HFZDXXHNSA-N 429.568 4.665 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](CC)OC)CC1 1507896718 JTFUIZNJHFOWNW-INIZCTEOSA-N 449.393 4.544 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(NC(=O)CCC)CC1 1507925942 LQEXZIVLUCHAHH-UHFFFAOYSA-N 446.599 4.735 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507930850 JNDRLZDZAYALNG-RTBURBONSA-N 442.608 4.759 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cc(COC(C)(C)C)on1 1507974150 UAIFOMHUYZBDNF-UHFFFAOYSA-N 445.951 4.581 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1507996810 KKHRJQWSSBSOQF-OALUTQOASA-N 427.662 4.842 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)C1 1510289207 CRHPHBLMVLTSRU-JOCHJYFZSA-N 431.506 4.964 30 10 IJEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 1512106273 GNGULIHTSFQSMT-ZHRRBRCNSA-N 447.505 4.537 30 10 IJEE CC(C)[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)NC(=O)OC(C)(C)C 1515746052 AFBKRSNPXKTSSX-KKSFZXQISA-N 438.528 4.869 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CCCN1C(=O)OC(C)(C)C 1521771887 NSUPDYDSNBKAKL-DFBJGRDBSA-N 428.573 4.577 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccccc2C(=O)N2CCCC2)s1 1523430109 GGIBOKKXEIEOIR-UHFFFAOYSA-N 436.002 4.713 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)cc1 1523486026 HNPCLLIOQRUIGG-MRXNPFEDSA-N 426.538 4.774 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)c1ccc(F)c(F)c1 1523652505 SXUDIRRCJCMEEN-GOSISDBHSA-N 434.236 4.881 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3C#N)c2C(=O)c2ccccc2)C1 1524771670 AABFMAGPDDEHHH-MRXNPFEDSA-N 430.529 4.993 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)COc2ccccc2C(C)C)c(C(=O)OCC)c1C 1525887704 QCTQVNFOKDCONC-UHFFFAOYSA-N 445.537 4.717 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 1529485966 RTAXPXZLZLLHSX-UHFFFAOYSA-N 437.265 4.642 30 10 IJEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)CCCC1 1532340211 FLQPQDPXFBXSFW-FQEVSTJZSA-N 432.630 4.815 30 10 IJEE CCn1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C1CC1 1533701348 DAOICUVTHOMAAV-UHFFFAOYSA-N 445.470 4.970 30 10 IJEE C#CC[C@H](NC(=O)c1cc(I)cc(C(F)(F)F)c1)c1ccccc1 1535926671 YAWXLTTXBHEQKR-INIZCTEOSA-N 443.206 4.804 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)cc1 1538669922 DKLCEXFQUHFBTE-QHCPKHFHSA-N 431.536 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC1(CCOC)CCCCC1 1538993740 QSJXWXFRAJBQSF-FQEVSTJZSA-N 431.584 4.938 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC(C)C)CC1 1539011521 FXRZYTXHCQEUAS-LJQANCHMSA-N 443.636 4.677 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1C[C@H](C)O[C@@H](C)C1 1539030787 UCYDISRHJWDVDL-ACRUOGEOSA-N 438.616 4.950 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC1CCCC1 1539301237 NGYUBIDSKYFGIS-UHFFFAOYSA-N 426.568 4.769 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1539499120 DTNHBMSDIYSNOO-VQTJNVASSA-N 439.673 4.528 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1539504566 KDSWVDNFMCBJEM-CQSZACIVSA-N 439.412 4.622 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCCCCCC1 1539504825 AYVUFHVULIVEGH-UHFFFAOYSA-N 433.419 4.845 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1539778527 CMCWFVHTBUJTFR-LJQANCHMSA-N 443.020 4.746 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(Cl)cccc2OC)CC1 1539894571 LYJXFFAKEGPKLR-UHFFFAOYSA-N 444.004 4.747 30 10 IJEE C=CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(C(C)(C)C)CC1 1539974117 KDVAPCMSADFKJX-UHFFFAOYSA-N 425.621 4.696 30 10 IJEE C[C@H](Oc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1)c1ccccc1 1543118202 BCXVLJMBVPIRGV-NRFANRHFSA-N 427.548 4.902 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2c(C)cccc2C)c1 1543462273 LEFDZOJALCNPIY-UHFFFAOYSA-N 436.533 4.812 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)N1CCCC1 1543898915 DWIIPWMAJPNERH-HUVFLSCGSA-N 434.632 4.952 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2O)cc1 1543921630 ONOWLZRIGUNPFK-UHFFFAOYSA-N 444.535 4.768 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC([C@H](CC(=O)OCC)c3ccccc3)CC2)cc1 1544400679 BFZSAGJMSJMYGG-RUZDIDTESA-N 433.548 4.678 30 10 IJEE COc1cc(/C=N\N=C2/S/C(=C\c3cccs3)C(=O)N2Cc2ccco2)ccc1O 1554646070 FNPDVYOJAHPYHT-OKHNFXMLSA-N 439.518 4.562 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1562441723 LZUKOQVMBVTXKQ-QFIPXVFZSA-N 446.457 4.890 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)N1CCCC[C@H]1C 1563464017 PBPPQZPPENFSMO-CVEARBPZSA-N 426.374 4.549 30 10 IJEE CC(C)(NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)NCC1CCCC1 1583081679 AFIRGDFRCPAGQG-UHFFFAOYSA-N 439.943 4.819 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCCCc3cc(OC)c(OC)cc32)cc1OC 1583469720 FDYKRMUEXRZMEP-KONDSOJQSA-N 437.536 4.874 30 10 IJEE C#CCOc1ccc(C(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 1583685916 FJTVWWHXIUEPNB-NRFANRHFSA-N 434.536 4.575 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)c1ccc(Br)cc1 1584707771 FFLXMXQYRXMDSQ-CMKODMSKSA-N 447.170 4.980 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(-c3ccccc3OC)nc2O)cc1 1585561465 HJUIOTLVDYGSPF-UHFFFAOYSA-N 432.476 4.725 30 10 IJEE O=C(Nc1nn(CC(F)(F)F)cc1Cl)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 1586032367 CJSOJPIOKREAHO-UHFFFAOYSA-N 429.723 4.927 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1C1CCCCC1 1587574676 KAJXCBMSAZWPQN-XMSQKQJNSA-N 426.008 4.854 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1587798151 DUEDMPXPDSYGNK-UYAOXDASSA-N 427.618 4.897 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)(CC)C1 1587898736 VSYVNEIEVOBXNY-IBGZPJMESA-N 429.609 4.780 30 10 IJEE C=C(C)C[C@H](NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)C(=O)OC 1588127319 NMPBTRJCJHFRCJ-KRWDZBQOSA-N 446.334 4.634 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCO[C@@H](C)C1 1588481871 MUNLWCXNKKUIKR-LEWJYISDSA-N 447.558 4.633 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1594247907 SPLYZXJTIWMQTR-QGZVFWFLSA-N 426.561 4.939 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1594698853 YHHNFLFHEHDKNE-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(CC(C)C)c1C 1594857972 VAKUCRQVTOCQQG-SFHVURJKSA-N 442.995 4.903 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC(C)(C)SC 1595133455 HTGDFQOWBCIUND-UHFFFAOYSA-N 425.577 4.737 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1CC1CC(F)(F)C1 1595243959 MAUIIBHNXJGFJW-UHFFFAOYSA-N 428.483 4.827 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(Cc3ccc(F)cc3)CC2)C1 1595729051 ITNNNGSBOLBKSM-OAQYLSRUSA-N 426.580 4.810 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(F)F)C1 1595844591 FAHRAKMLCOSXET-QGZVFWFLSA-N 444.555 4.736 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Nc3cccc(C)c3)c2C)cc1 1596181464 QEKWDRIPFAMYHS-UHFFFAOYSA-N 435.549 4.764 30 10 IJEE C#CC[C@]1(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CCCN1C(=O)OC(C)(C)C 1596482098 KAZURFALFGRCEY-HHHXNRCGSA-N 449.595 4.812 30 10 IJEE C=C(C)C[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)OC 1596794847 KJNAGZSCSIVFQX-INIZCTEOSA-N 426.563 4.705 30 10 IJEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1611151389 DSZRMSXKUJDXKF-SFHVURJKSA-N 427.618 4.743 30 10 IJEE CC(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1611357919 RMFCTLKPEBCTCJ-QRVIBDJDSA-N 431.517 4.623 30 10 IJEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)c2nc(C)cs2)CCS1 1614216106 DSAGXTLKYBGKGV-BEFAXECRSA-N 438.626 4.717 30 10 IJEE CC[C@H](Oc1ccccc1/C=C1/S/C(=N/c2ccc(C)cc2O)N(CC)C1=O)C(=O)O 1614236363 POMBFGGDMUYPIV-ZSEUYNMPSA-N 440.521 4.567 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 1616488085 LBOFLPASJKIKPO-WMLDXEAASA-N 436.936 4.963 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1OC 1617065716 KQVQZCRGLPDOFJ-QXHGNLAOSA-N 448.485 4.711 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(CC)[C@@H](C)Cc3ccc(C(F)(F)F)cc3)cc2C1=O 1618348899 HEABVTJEHNUJBC-HNNXBMFYSA-N 444.453 4.581 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 1618590264 VLNTWZOWKMWXGP-JGCGQSQUSA-N 442.544 4.847 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)cc1 1618689288 INZTYVRPWCNHPB-UHFFFAOYSA-N 446.482 4.925 30 10 IJEE CO[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)CC#N)C(C)(C)C 1619006439 FCJOCGGELXHBPW-GHTZIAJQSA-N 441.620 4.954 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1624431199 CXJVUDQUHQEHBP-QHCPKHFHSA-N 435.955 4.672 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1625821688 RACQPOWLGJEILB-QGZVFWFLSA-N 430.957 4.799 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1cccc(Cl)c1Cl 1626542984 HMLZMTJCRJYRQH-CYBMUJFWSA-N 437.751 4.524 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CCCc3ccccc3)c2)c1 1627670612 WSBUZYMULFNGPP-UHFFFAOYSA-N 434.561 4.579 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1 1630743060 QTXSAIDUSKWRME-UHFFFAOYSA-N 440.547 4.933 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 1631792404 JGXCUYGZAGRGKZ-UHFFFAOYSA-N 432.564 4.702 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(O)cnc2c(F)cccc12 1632118818 YIIJDIRFGNSBPR-UHFFFAOYSA-N 433.252 4.810 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(Cl)cc1 1635632060 JRVVGGLKDZCWSO-RTBURBONSA-N 431.964 4.636 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1F 1636566872 IPTZDVKBFXNRQG-LJQANCHMSA-N 439.840 4.704 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1OC 1638344131 KDDBZKUJERHHEO-VWLOTQADSA-N 444.572 4.513 30 10 IJEE C=CCn1nnnc1SCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OCC 1640877020 ODNRCKVHOCODNA-UHFFFAOYSA-N 431.521 4.543 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc1OC 1647743108 LYNNWKUUESENEQ-WCUJJGSQSA-N 429.944 4.801 30 10 IJEE CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1)SC 1649566449 BGQYEQAIIKUGNM-RTBURBONSA-N 433.666 4.858 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2ccccc2C)c(C(=O)OCC)c1C 1652616340 RNPLKSAEBLRFPK-UHFFFAOYSA-N 433.551 4.615 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)c2C#N)C1 1654484335 CZHJVLPZTKBMAI-VIDZHXABSA-N 443.657 4.893 30 10 IJEE COc1ccc2c(c1)N(Cc1ccc(OCc3cccc(C#N)c3)c(OC)c1)C[C@@H](C)O2 1657423968 GHEFDYPVLRWTBM-GOSISDBHSA-N 430.504 4.942 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2)c1ccc(Br)cc1 1658847005 LCWNFSYKVFLQMM-CXAGYDPISA-N 429.314 4.667 30 10 IJEE O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 1659034236 AYQUHJRVIKLEGQ-UHFFFAOYSA-N 434.355 4.821 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 1661311741 FLHOHLOGELVJDY-MRXNPFEDSA-N 447.944 4.830 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 1664951352 NXNGBPIPCBAZDS-AZUAARDMSA-N 433.618 4.896 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 1665741220 XRWGLOLHMARJHE-SFHVURJKSA-N 425.884 4.643 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)NC3(Cc4ccccc4)CCOCC3)cn2)c1 1665863886 BDOCGEIUNLMUBG-UHFFFAOYSA-N 428.492 4.659 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1665918480 WTRVLYAHWQBHHY-QGZVFWFLSA-N 441.247 4.564 30 10 IJEE COC1(CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCOCC1 1672366820 AMKMIXIPMDCYST-UHFFFAOYSA-N 431.945 4.680 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(SC)c(Br)c1 1673190752 JLJMDEHZIGHLSQ-UHFFFAOYSA-N 425.348 4.867 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CC1 1673260896 HDRHNEHGMDAFPZ-UHFFFAOYSA-N 431.471 4.675 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 1673381198 KGHSVMHTHDIDEC-FPOVZHCZSA-N 448.325 4.986 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N(C)C(=O)NC)cc1 1674143662 HCKBKVBDKVBJEX-UHFFFAOYSA-N 449.324 4.584 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc21 1674672980 GDJYPEQISUYOKW-UHFFFAOYSA-N 443.473 4.591 30 10 IJEE COc1ccc2c(c1)[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)CCO2 1677478976 GLGODJINRHLDTH-HXUWFJFHSA-N 445.523 4.695 30 10 IJEE COCCN(C(=O)Nc1nc(Cl)c(C#N)s1)[C@@H](C)c1cccc(C(F)(F)F)c1 1678315448 IAKRVFNSAASNNU-JTQLQIEISA-N 432.855 4.928 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(-c2c(F)cccc2F)s1)c1ccc(Br)cc1 1679807887 ZETJOVMOZZTCSJ-AWEZNQCLSA-N 449.280 4.742 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ncn(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 1680854586 GHTWBVNCTBTZQA-IBGZPJMESA-N 429.446 4.793 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(F)c(F)c1 1681559772 GEWRDPHTHZDUEF-WPFOTENUSA-N 432.486 4.794 30 10 IJEE C#CCN(C(=O)NCc1cc(F)c(F)cc1Br)[C@@H]1CCCc2ccccc21 1682174763 QFGHBPYBXGMOIJ-HXUWFJFHSA-N 433.296 4.950 30 10 IJEE C#CCN(C(=O)NCC1C[C@@H]2CC[C@H](C1)S2)[C@H]1CCOc2ccc(Br)cc21 1684097026 OQKVIEPAHHOKIP-SOXMVSPVSA-N 449.414 4.592 30 10 IJEE C=CC[C@@H](CC)NC(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1686285031 KKGJUGQYBJDUCX-LKKYZFDUSA-N 442.368 4.684 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccnc(SCC)c1 1690058750 AJHJEFHYDXGSJS-QGZVFWFLSA-N 439.560 4.572 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1Cc1nc(C2CC2)cs1 1690069419 OCKJAEJGWTZWLV-UHFFFAOYSA-N 442.386 4.549 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1690230616 LDKOOIMXOMOTIE-ZLIFDBKOSA-N 436.423 4.557 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CCC1 1690343935 HRVKMKJNYXJRSQ-SFHVURJKSA-N 438.016 4.772 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(N(C)C)CCCC2)CC1 1690364068 IODLWQHECQJYBP-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](OC)C2CC2)CC1 1690368735 JYODEYPLHHWRPT-IBGZPJMESA-N 431.378 4.597 30 10 IJEE C=C1CCN(c2nnc(CC3CC3)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)CC1 1690379718 XIJIVHLBHYHEKJ-UHFFFAOYSA-N 437.588 4.977 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2CC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 1690417468 SRBHOLNSQXGBSE-URXFXBBRSA-N 437.632 4.518 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690467370 UYNRIECVYJZCSM-QUCCMNQESA-N 436.522 4.966 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1c(C)noc1C 1690478080 MUYGZEWRWJAUFS-UHFFFAOYSA-N 430.350 4.915 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccc(F)c1)C1CC1 1690539228 YVNFVSRDQNYERP-VWLOTQADSA-N 442.579 4.590 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1690541258 UIFNDJFWCOWEPS-WIYYLYMNSA-N 437.588 4.745 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1693622865 HGVLNCDCKCVIHU-GAZXMLTASA-N 441.645 4.668 30 10 IJEE COc1cccc(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@H](C)C#N)c1 1697534628 CRAOPJGYYOOSLH-QGZVFWFLSA-N 435.597 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1OC 1705705236 FKQDFFDZSAWLRR-DHLKQENFSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1OCC(F)(F)F 1705718780 YFVOREGKXMCEDK-UHFFFAOYSA-N 445.489 4.656 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705722788 ZKNVEWWOBSLJKZ-WMZOPIPTSA-N 437.544 4.617 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1705733435 NOGUEVXXVHNBTR-HNAYVOBHSA-N 449.368 4.818 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)Cc1ccco1 1705791412 VVILCPNURUTWEE-OAQYLSRUSA-N 433.556 4.631 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCN1CCC 1705836653 AOQOBEWQESGFHN-LJQANCHMSA-N 432.410 4.594 30 10 IJEE C=CCSCCn1c(N2CCO[C@@](C)(CC)C2)nnc1C1(c2ccccc2)CCC1 1705950331 XQICUMAIQWXDMP-QHCPKHFHSA-N 426.630 4.673 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC1 1706343159 GZYRTEUMLRXJCG-HXUWFJFHSA-N 439.629 4.744 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)s1 1708974908 HREBQSDTVKNJHT-INIZCTEOSA-N 432.553 4.983 30 10 IJEE CCOC1CC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 1710578245 FQLNGALBRNXQNI-NQKNOSNGSA-N 447.505 4.801 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1 1722303508 PIDYCUQVBVFSRJ-MOPGFXCFSA-N 446.064 4.802 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC(C)C)CC1 1722416390 LUSNECDBRJSEHB-IBGZPJMESA-N 429.609 4.636 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C2CCC1(C)CC2 1722478935 CNYAXNXDXCMAKT-BQTBQCLESA-N 435.341 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@@H](C)CC 1722503428 KZMLFKMIYWKRSG-VNZMSGEBSA-N 426.605 4.937 30 10 IJEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1722558412 NFZVWNJCDVSWAR-KNBMTAEXSA-N 430.936 4.698 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1722559934 MIMHGNQPFAECPI-RTWAWAEBSA-N 441.595 4.978 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](CCC)OC)C1CC1 1722645365 KFUNHVZHJALDLF-AWEZNQCLSA-N 425.396 4.739 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCCN(C)C(C)C)C1CC1 1722645615 SVTODNQHGYWLRD-UHFFFAOYSA-N 432.410 4.593 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(Br)cs1)C1CC1 1722649639 AKAHKMWWIBELIK-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722655372 KUPZNKHYEYRWRP-UVWWXKGLSA-N 449.599 4.584 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCSC(C)(C)C1 1722683382 JUZPPPRMEKQFAO-UHFFFAOYSA-N 427.799 4.879 30 10 IJEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2scnc2C)sc1C 1724080607 BBIGUKNVURSRHN-UHFFFAOYSA-N 449.609 4.534 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1csc([C@@H](C)OC)n1 1727687129 HCDUJZVSOFSTSC-JXXFODFXSA-N 436.585 4.654 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740576473 YBNHXAXCHKTISM-HSZRJFAPSA-N 434.584 4.668 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1nccs1 1740585662 ZDTOCSXVRNPCRI-UHFFFAOYSA-N 430.581 4.859 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1C(F)(F)C12CCC2 1740664596 WNWAZGGZFBCQGG-ZDUSSCGKSA-N 441.345 4.664 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccc(Cl)s1 1740666095 CCZRMUIZPFKGFU-UHFFFAOYSA-N 444.988 4.965 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCc2nc(C)c(C)s2)CC1 1740839527 KIRFYRRYKYRJIJ-UHFFFAOYSA-N 437.613 4.596 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740852288 MFOAIMZVMZGGII-WOJBJXKFSA-N 432.515 4.588 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@H](C)C1 1740914667 WRQCSFRVEOSYTR-CVDCTZTESA-N 448.615 4.777 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1740966591 NRUBOWCAIMIPML-XMMPIXPASA-N 448.958 4.737 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC[C@H](COC)C1 1748706693 QEFUBPAZNPPNLU-SFHVURJKSA-N 430.980 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[C@@H]1C 1748876334 BYZDPPFIQSOAKI-UNMCSNQZSA-N 434.584 4.640 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1749330486 DWKXOPVEDHIXKU-DEOSSOPVSA-N 446.542 4.890 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749335334 OZHUXALRGLFZBS-SFTDATJTSA-N 437.632 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C)cc2)CC1 1749370741 QNYWZZFFRITWOS-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1749402462 OIVXANJMXHROJP-DNQXCXABSA-N 433.600 4.859 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1749433836 XYRBJONMOSRYAS-QFIPXVFZSA-N 436.629 4.705 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCN1CC 1749464910 HZAUCHDUZUXVCO-AZUAARDMSA-N 432.012 4.795 30 10 IJEE C=CCN(c1nnc(CCOc2ccccc2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1749525695 SSSNIBUCHZEOBL-UHFFFAOYSA-N 449.502 4.578 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(C)C 1749528309 LEMJGWSKZXBTMR-RBBKRZOGSA-N 426.605 4.838 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCC[C@@H]1CCCCO1 1749540822 CJSNNAAQHKNJOY-NRFANRHFSA-N 437.563 4.965 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CC1CCOCC1 1749553619 JKGMTDJXPWZXFY-UHFFFAOYSA-N 426.561 4.689 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCC(C)(C#N)CC1 1749748876 CFEUIENPTUQMSV-UHFFFAOYSA-N 446.418 4.757 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](COC)C1 1760129866 BCVKKWHFDPGANM-WOJBJXKFSA-N 445.007 4.965 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC2(CCCC2)C1 1760130323 HQBBYHWIHHNMTO-UHFFFAOYSA-N 430.394 5.000 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CCCN1CCCCCC1=O 1760331433 HQLMTRGFRCIGNA-UHFFFAOYSA-N 446.599 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCC1(F)F 1760339573 MZPVLAUKIZZZJS-SFHVURJKSA-N 428.531 4.745 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760492219 KZTGVLNRRLBQIL-IBGZPJMESA-N 425.577 4.627 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)C#N 1764143376 CQKBMNIUCLABHZ-MJGOQNOKSA-N 447.002 4.988 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2nc3c(s2)CCCC3)cc1 1764441884 FUMNMHTUWRWCSG-QGZVFWFLSA-N 434.613 4.681 30 10 IJEE CO[C@@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1)C1CC1 1769539274 CTBHLEAHXUKCFE-QFIPXVFZSA-N 447.505 4.801 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1 1860596244 NTIVGUIWCHEBIF-CQSZACIVSA-N 446.334 4.510 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2[nH]1 1861386322 APKSYPHJERQWGS-HSZRJFAPSA-N 435.568 4.691 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1862443267 KROYWYQLNJULIL-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1862448665 SEERILLXAJPRFM-LJQANCHMSA-N 426.856 4.769 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(O)cc1 1862523724 NVLYKWCPOKDMEC-IBGZPJMESA-N 444.325 4.779 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)cc1 1862524595 IMKJDFQLDKFBIL-LJQANCHMSA-N 444.325 4.692 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC 1862573984 LCLWWWSBCWCKMK-JOCHJYFZSA-N 437.536 4.988 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 1862617728 XNNRQIWPHAJVMI-HSZRJFAPSA-N 434.580 4.686 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(N(C)C)cc2)c1 1862701629 JSZRJLYFPNVZSF-CUHUQNRHSA-N 448.563 4.918 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc3c2CCCC3)C1=O 1862776179 VPWKBOOSIWTSJD-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(Cc2ccc(C)cc2)C1=O 1863701064 JRVFFHYEDSTCNW-UHFFFAOYSA-N 438.527 4.630 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cccc(F)c1 1864825018 DIPDYRQPYGFRQQ-NRFANRHFSA-N 442.579 4.819 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3cccnc3)C2)nc(-c2ccc(Cl)cc2)n1 1869263689 LHWRBYNXKQBFCY-QFIPXVFZSA-N 447.970 4.948 30 10 IJEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)C(c1ccccc1)c1ccccc1 1870139489 SSLZBXWBPMRLMY-UHFFFAOYSA-N 427.895 4.871 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2-c2ccc(C)c(C)c2)c2ccccc2)cc1 1870142789 VTZMLFUTJOUFMP-JLPGSUDCSA-N 449.514 4.944 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870346711 ZTECDPJSIAQKLL-IYBDPMFKSA-N 437.367 4.529 30 10 IJEE CCCCCCCCNC(=O)[C@@]1(C)Oc2ccccc2N(Cc2ccccc2F)C1=O 1871319794 OCIKTPWXKLCECJ-RUZDIDTESA-N 426.532 4.987 30 10 IJEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O)C(=O)O 1871423001 LWWCPMBNBHHMJD-GFIJVFARSA-N 426.465 4.651 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871428705 PEKCPCQTUSVYGZ-FMCGGJTJSA-N 433.435 4.776 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(=O)(=O)CCC 1871796763 ZVSFEKACMSWFCT-LJQANCHMSA-N 441.380 4.901 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccccc2Br)C1=O 1873252552 MEPVCRZCACHBMJ-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874266567 CSHATNFJAPVOAR-FOKLQQMPSA-N 442.928 4.759 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCCCO 1874343538 WDIUXDRMSYNBPJ-BUVRLJJBSA-N 444.988 4.666 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(F)cc1F 1874478274 XKKRNBPEWPWGHU-WYMPLXKRSA-N 448.495 4.843 30 10 IJEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874491928 PPBIZMOVMWSTCF-AUEPDCJTSA-N 434.924 4.855 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2)cc1C 1874510554 SZSIJPCDWRBFTJ-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc1C(C)C 1874514115 IFVISUCXFLUDCH-BUVRLJJBSA-N 443.617 4.614 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874527233 DULFHJQWHOKGAP-LFVJCYFKSA-N 429.634 4.761 30 10 IJEE Cc1cccc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)c(Cl)c2)c1C 1874534707 WXVKDMPKQBTMQL-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE CCc1ccc(OCCCc2nnc(S)n2/N=C/c2ccc(N(CC)CC)cc2)cc1 1874568138 JGUBQVMKCBNSOW-XIEYBQDHSA-N 437.613 4.869 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)NCCC 1874613145 FEVLXIGFYQAOKP-ZHACJKMWSA-N 427.928 4.878 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1 1874614318 FIZDIRAIBCFWON-OUKQBFOZSA-N 431.488 4.926 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1)c1ncccc1C#N 1890049159 WIMCGRVECNSWCB-UHFFFAOYSA-N 436.865 4.614 30 10 IJEE Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)c2)cc1 1891523773 GRDVFZFKZCKHCZ-OAQYLSRUSA-N 427.504 4.985 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(F)c(F)cc1Br 1891897473 CBQKGZQIXVWNCZ-UHFFFAOYSA-N 448.185 4.558 30 10 IJEE C=CC[C@@H](C)[C@@H](NN)c1sc(Br)c(Br)c1Br 1903161884 TUQLNJXQNWUWFU-SVGQVSJJSA-N 433.007 4.752 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(OC)CCN(C(=O)OC(C)(C)C)CC1 1922066812 WYTKTUKIPJFTLB-QFIPXVFZSA-N 432.605 4.544 30 10 IJEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1938190006 AUVXMTMWNDUMPA-GJZGRUSLSA-N 437.503 4.865 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C2)cc1 1941497505 RXXFQWWHKBMHBJ-QMHKHESXSA-N 431.533 4.728 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998813021 FADHTGAFCZUQPT-RDGATRHJSA-N 429.605 4.987 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)c(F)c1 2078983380 YSDUSVMXTYRADW-HJYABADFSA-N 449.214 4.680 30 10 IJEE C=CCC1([C@H](NC)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2136320177 MZMGCDIAGAUMTN-QGZVFWFLSA-N 425.367 4.531 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2159127714 JGFGTUJHVLYLBY-OALUTQOASA-N 437.422 4.975 30 10 IJEE C=CCN(CCC(=O)Nc1cccc2cc(Br)cnc12)C(=O)OC(C)(C)C 2180995387 KJZDTVDPVWBYIR-UHFFFAOYSA-N 434.334 4.749 30 10 IJEE Cc1sc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c(C)c1Br 2231048022 KENZRGGTKOQICQ-UHFFFAOYSA-N 428.201 4.826 30 10 IJEE CCc1ccc(C#C[C@H](N)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231156781 YIZOYJJOSQZTFI-LBNVMWSVSA-N 448.607 4.772 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2(C(=O)C#Cc2ccccc2Br)C1 2235734903 RXANITQZFVTPDH-HTAPYJJXSA-N 432.358 4.797 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)Cc2cccs2)n1 2254653003 JFYRKFDNZQNZLS-UHFFFAOYSA-N 436.386 4.658 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCC[C@]1(C)CNC(=O)OC(C)(C)C 2258808365 YGORLSCBENMHSH-DFCKQENNSA-N 446.632 4.574 30 10 IJEE C=CCC1(NC(=O)c2cc(F)c(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2267777675 ZGDWBTRKSYBYJS-UHFFFAOYSA-N 447.732 4.537 30 10 IJEE CCC(CC)(CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)N(C)Cc1ccccc1 2267831098 QBKIMRPGEKYTAX-UHFFFAOYSA-N 437.437 4.671 30 10 IJEE C=C([C@@H](OCC(=O)O)c1scc(Br)c1Br)[Si](C)(C)C 2275826027 YKWWLKJYELAYCW-LLVKDONJSA-N 428.218 4.849 30 10 IJEE C=CC[C@@]1(COc2c(Br)ccc(OC)c2N)CCN(C(=O)OC(C)(C)C)C1 2287761148 TWFXYJSTCIZIOI-HXUWFJFHSA-N 441.366 4.622 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Br)cc1C#N)C1CCCCC1 2288197363 JFPJZPDRNLLRHN-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2296219954 SZURVFKFELNGHK-YZGWKJHDSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2296300089 CTXJPZLJGLQHRC-UXHICEINSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2296304800 LKMCRBICOBDQEX-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 2297062036 HDDXGUBFYVPAFJ-HXUWFJFHSA-N 434.517 4.703 30 10 IJEE CC1=CC(=O)C(=C2C[C@H](c3ccc(Br)cc3)Nc3ccccc3N2)C(=O)O1 2297104876 COIPLQLDXBSOQY-QGZVFWFLSA-N 425.282 4.702 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCCCC2 2305325681 OKNYRHWLUPPWNM-VWLOTQADSA-N 428.573 4.842 30 10 IJEE C[C@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317353627 JBYKBPOUIWCYIX-FUHWJXTLSA-N 430.354 4.503 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCCCO)c2Br)cc1 2323154306 UOMGDNHPDRRBRX-UHFFFAOYSA-N 449.341 4.904 30 10 IJEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)o1 2323283502 YFBSMZWVXFBUPS-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OCC(=O)OC 2323400633 FRSSZNZFVJPCDI-UHFFFAOYSA-N 435.432 4.595 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325586878 BWAMSSPSQXIFIX-UHFFFAOYSA-N 428.533 4.950 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)cc1 2325632677 PHMRDHLWUOBQSA-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OC 2325649292 MFOMASRQXJXRHC-UHFFFAOYSA-N 430.504 4.691 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1C 2325737958 WTJACHPELAFDKA-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)C(=Cc1cccs1)O2 2325744829 RQAZGDGQTHFIPK-UHFFFAOYSA-N 436.485 4.674 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1 2325997761 WOXVSIGFBSGRAV-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(OC)c(OC)c1)[C@H](C)CC 2330087584 GBYYMBMCYJEXNX-DVECYGJZSA-N 432.605 4.725 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1cccc2ccccc12 2330363483 GKIWZTCRQLKXEH-UHFFFAOYSA-N 449.605 4.584 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c1 2330990230 ZXIAENAAZKQFGI-LJQANCHMSA-N 428.945 4.966 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331033892 GBMHAOKZPXWBAV-UHFFFAOYSA-N 440.408 4.503 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cc(Cl)ccc1O 2331636824 KDZMZRURNIDNDH-UHFFFAOYSA-N 443.960 4.511 30 10 IJEE COc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)cc1 2332188669 JQODNUZGDGOZLZ-UHFFFAOYSA-N 436.475 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585776 UQOOCFOEYZPWNF-NUPXTWTDSA-N 443.397 4.832 30 10 IJEE C[C@H]1CC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339598434 CMPLISOKRJSKMB-HKUYNNGSSA-N 444.381 4.893 30 10 IJEE NCC#Cc1ccc(CN(CCC(F)(F)F)Cc2ccccc2)cc1Br 2349817320 QBRZBQIWRHJVMJ-UHFFFAOYSA-N 425.292 4.714 30 10 IJEE O=C1/C(=C\c2ccc(-c3ccccc3)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21 2333583 VRTZYLGSBPUDRT-LFVJCYFKSA-N 427.456 4.801 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 5923163 YWSIHQZEVOREMF-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc(OC)c(OC)c3)cc1)C2=O 8823872 ONMMTKABBIVZOS-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1C(C)(C)C 20839488 KTDURGZMOHGUPU-UHFFFAOYSA-N 428.480 4.781 30 10 IJEE Cc1ccccc1NC(=O)CCSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1 21076899 ADHFEKHXYINAOT-SSDVNMTOSA-N 449.367 4.987 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(-c2ccccc2)nc1C 28389224 FFHICWKOEOUDIE-IBGZPJMESA-N 443.503 4.558 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 34954454 WIHNZZZDGLUADT-WQLSENKSSA-N 433.416 4.727 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)N[C@H](C)c2ccccc2)n[nH]1)c1ccc2ccccc2c1 59022247 VEGQTBWPPQQSIT-CBEMMOEPSA-N 444.564 4.764 30 10 IJEE CN/C(=N\c1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 59446409 SECSEKYJOHFDJQ-HNNXBMFYSA-N 442.755 4.919 30 10 IJEE O=[N+]([O-])c1ccc(N/N=C(/CSc2nc3ccccc3[nH]2)c2ccc([N+](=O)[O-])cc2)cc1 59460540 YDTSHYKSHLGANX-QQTULTPQSA-N 448.464 4.988 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccs1 100221968 VFMABODDLGBPPF-IBGZPJMESA-N 436.618 4.543 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 103112344 AYLIWWLDKCRROO-LCPUNJGISA-N 447.362 4.757 30 10 IJEE Oc1c(I)cc2oc3c(c2c1/C=N\Cc1ccncc1)CCCC3 103834370 FBWWPLWOVOMYGR-JJFYIABZSA-N 432.261 4.636 30 10 IJEE N#CCCn1cc(/C=C/C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c2ccccc21 105809791 JHULAUGXQPLYCI-JLHYYAGUSA-N 432.487 4.941 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc3ccccc23)c1 170046463 RNZDZILEXPWMJS-XMMPIXPASA-N 428.532 4.597 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 170056975 BQEFAKUAMQTNJM-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(F)cc2)s1 170061169 CKPQMJBKQJIQTA-GOSISDBHSA-N 444.434 4.960 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccco2)cc1 170094567 LIKMUZUSEZHJDQ-JOCHJYFZSA-N 430.460 4.583 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OC)cc1 170116804 FLLZJGQXPSIUKZ-QMHKHESXSA-N 435.520 4.787 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OC)c(OCC)c1 170127513 HZCXGMHKMSMGOD-JOCHJYFZSA-N 434.492 4.564 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170193580 FORRIVDZKHQBSX-LJQANCHMSA-N 440.286 4.562 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)c1 170197710 CTURTHUBKSIQHK-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)cc1 170224319 SQUQOGIYURIBJD-JOCHJYFZSA-N 428.444 4.940 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 170256813 FHFDEMCOYFQBKF-LJQANCHMSA-N 425.893 4.886 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 170265162 OCHKOYXNYQWLLS-NRFANRHFSA-N 427.928 4.906 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1ccc(F)cc1 170271060 JIMHFNIDXINUEG-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1sccc1C 170319285 LVARWSYIAFHBJM-LJQANCHMSA-N 429.538 4.842 30 10 IJEE COCc1cc(C)nc(NN=Cc2cn(Cc3ccccc3C#N)c3ccccc23)c1C#N 254506152 LTPLBAJGBRJQSW-UHFFFAOYSA-N 434.503 4.729 30 10 IJEE CCn1ncc(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1C(F)(F)F 439894670 DSHDNYNKVJWHRZ-NSHDSACASA-N 446.298 4.948 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](C)c1ccc(OCCOC)c(OC)c1)c1ccc(F)c(F)c1 476840483 FMQMJEXDJXYSGV-NYHFZMIOSA-N 434.483 4.676 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)cc1 500737984 VQFSDGYHGNTPCR-NRFANRHFSA-N 445.523 4.802 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508476403 CZAHZQMTBFUJNZ-SJORKVTESA-N 427.549 4.892 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 508801473 LUWNREVFMBDBIG-UHFFFAOYSA-N 433.625 4.609 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])o2)cc1 526518300 ZQBRETBPGMCDAD-OAQYLSRUSA-N 431.404 4.515 30 10 IJEE Cc1ccc(SC2=C(N3C[C@H](C)C[C@@H](C)C3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526685676 DDIAVQKGZPBRCG-QZTJIDSGSA-N 431.561 4.722 30 10 IJEE C[C@H](NCC(=O)NCCc1cccc2cccnc12)c1ccc(-c2cccc(C#N)c2)cc1 542015142 NMPIJTLBRZQWJF-FQEVSTJZSA-N 434.543 4.783 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)n2)c(Cl)c1 543891805 ZRLMMTUUFKERIA-IBGZPJMESA-N 440.979 4.517 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc1C#N 553101035 MIXYLRJTPVTHED-SNVBAGLBSA-N 444.969 4.957 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 568654168 VMTMCDCIIKGMEO-QFIPXVFZSA-N 440.494 4.598 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@H](CC(=O)NC2CCNCC2)n2ccc3ccccc32)cc1 585850143 HRGXIVMUNCWPHJ-UBWSOHEKSA-N 443.591 4.847 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC 586211317 JHBYUEIWZNWBOG-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE Cc1ccc(CN2CCC(CN(C)Cc3ccccc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 717424225 MKMQTGHDPURWRG-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE C=C1CCC(C[C@H](NN)c2cc(I)ccc2Br)CC1 724582112 IZRXNUJWSWNJGJ-HNNXBMFYSA-N 435.147 4.695 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 730871085 BMCGOOHPNHHWTN-OFAXGOBFSA-N 442.515 4.830 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 743143872 ROZHZURKPAVZLT-QGZVFWFLSA-N 446.454 4.547 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)Cc1ccccc1CC#N 781673598 UJRXIOKSUKPXLB-UHFFFAOYSA-N 443.341 4.637 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 788960213 DFRDUYBKBAOAFP-QGZVFWFLSA-N 435.524 4.565 30 10 IJEE C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 790698679 RDIMUMMUYSOVNB-AVRDEDQJSA-N 449.576 4.766 30 10 IJEE COCCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1 802545193 WCKOSAIJWDZMEW-UHFFFAOYSA-N 442.523 4.530 30 10 IJEE COc1ccc(C(=O)c2c(NC(=O)c3ccc(C#N)cc3OC)sc3c2CCCC3)cc1 1124187598 COBDMWWUTAIYRH-UHFFFAOYSA-N 446.528 4.999 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1124194634 DTTASCHLFMGDKA-HXUWFJFHSA-N 426.582 4.858 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)c2c(F)cccc2F)c(C(=O)OCC)c1C 1124820191 CAMHVELLGPGNAR-GFCCVEGCSA-N 437.464 4.596 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)C[C@@H](C)c3ccccc3C(F)(F)F)c2C#N)C1 1131405490 GPEBDAPZSOOROQ-GFCCVEGCSA-N 435.471 4.675 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[S@@](=O)c1ccc(Cl)cc1 1136589306 GOQYZSOATCLKJE-SSEXGKCCSA-N 438.936 4.845 30 10 IJEE O=C(Cc1cccc(Cl)c1F)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1136983962 HAIPAEMHPRAWMD-INIZCTEOSA-N 443.746 4.607 30 10 IJEE COC(=O)c1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1C#N 1167749176 ALJSKDDTQYYFFG-HXUWFJFHSA-N 446.334 4.645 30 10 IJEE N#Cc1ccccc1OC[C@@H](O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 1169341958 HRDBUPOZMHEBTJ-DLBZAZTESA-N 432.364 4.600 30 10 IJEE C#CCC1(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2nc(C(C)(C)C)cs2)C3)CCCCC1 1179488776 OSSSCLUQYQTXFL-OALUTQOASA-N 428.642 4.841 30 10 IJEE C#CCN(Cc1c(C)nc2scc(C)n12)[C@@H]1CCOc2ccc(Br)cc21 1180292481 MCYHJVPMAUWLJL-QGZVFWFLSA-N 430.371 4.734 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1Cl 1198321928 AQMWDJLBEKJBAP-UHFFFAOYSA-N 435.867 4.841 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 1209117456 MKIUDRWUHJAGBG-PKOBYXMFSA-N 443.512 4.566 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1211273168 GVAUWSGDZZPGOK-HNNXBMFYSA-N 440.340 4.607 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)OCC)c(C)cc1F)c1ccc(Br)cc1 1217755164 SSPRXDLAUMOYSG-KRWDZBQOSA-N 433.277 4.569 30 10 IJEE CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NC1CCN(c2ccccc2C#N)CC1 1234047114 BJEGENHVAGQACE-UHFFFAOYSA-N 439.563 4.821 30 10 IJEE COc1cc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c(F)cc1C#N 1280498843 GFBWTNAMIYZRJL-UHFFFAOYSA-N 442.244 4.908 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286316707 LKDQKTMKJOIELA-YADHBBJMSA-N 432.572 4.699 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286333923 PRXXGZNLRWLPKL-QFIPXVFZSA-N 449.624 4.600 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1CCC 1286440633 GRLHKNRQGICYQN-SFHVURJKSA-N 434.415 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO[C@@H]1C(C)C 1286441320 LQYNRELHEXFQAR-FXAWDEMLSA-N 445.405 4.618 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2ccc(F)cc12 1286451987 GLPLLGWXHKFYGT-DENIHFKCSA-N 437.563 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccncc1Cl 1286518897 MIWZFIWYKRZXBV-QMHKHESXSA-N 439.922 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)Cc1ccc(Br)o1 1286546774 LMSCXHXQGMMDCP-VKJFTORMSA-N 437.382 4.765 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1286693751 ABOYOJHGLOFSNP-HXUWFJFHSA-N 435.572 4.790 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1286703722 QXQAWBXFWFSKOC-UKILVPOCSA-N 448.615 4.710 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1 1286740765 WHJOGPWGKNUBCU-PMACEKPBSA-N 446.542 4.809 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccco1)N(C)C 1286743861 VOYVMBYEIGVQKV-QHCPKHFHSA-N 442.567 4.737 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286827350 LLENVAPWJIUQJG-HXUWFJFHSA-N 432.037 4.582 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCC1(F)F 1300561291 NBBHESJHRUHFRO-GOSISDBHSA-N 448.464 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Oc2ccccc2)nc1 1300914570 DULLQPNTVQAUDJ-NRFANRHFSA-N 433.556 4.810 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1301095438 HQKDQQVJHMDIGE-CVDCTZTESA-N 428.552 4.604 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1cc(C(C)(C)C)no1 1301278939 STNNHTUIDFNAGJ-UHFFFAOYSA-N 430.350 4.664 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCS1 1301340121 VONQXXICQMVAQP-FCHUYYIVSA-N 437.613 4.870 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1Cc1ccnc(-n2cccn2)c1 1301346684 IMHAKGOCTISVTC-HXUWFJFHSA-N 427.556 4.613 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1c1ccc(C)o1 1301458854 GSTKOBFPVRTNDX-IBGZPJMESA-N 441.576 4.822 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1301611671 FVMACCFGXOHRLJ-UHFFFAOYSA-N 443.636 4.706 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1305476390 DYHNRMBRNPPQBL-XTQVGHSUSA-N 429.012 4.878 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)c(F)c1 1307316932 AECPIVLNEQAVSI-UHFFFAOYSA-N 434.492 4.886 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-c3n[nH]c(C)n3)cc2)cc1OC 1308336741 GEKALADNSHFDOF-UHFFFAOYSA-N 429.318 4.728 30 10 IJEE Cn1cc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c2ccc(F)cc21 1310113284 IADKYYIWPHSNNM-UHFFFAOYSA-N 429.455 4.741 30 10 IJEE CCc1ccc([C@@H](NC(=O)Nc2cccc(CC#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 1310750869 FSRJJNTWBUXRNW-XMMPIXPASA-N 447.560 4.630 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1c(Cl)cnn1CC)c1ccc2c(c1)OCO2 1348807149 QMWKIKRCYXAIIR-UHFFFAOYSA-N 439.899 4.697 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC(F)(F)F 1358906568 MFANFFLMEHZDEM-UHFFFAOYSA-N 445.283 4.518 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(OCC)c(OC)c2)nnc1C(C)(C)C 1359105147 KPQSHUQUFMIECQ-DENIHFKCSA-N 442.604 4.601 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2(OC)CCC2)CC1 1359161584 JGCXHWVTLPPFOU-UHFFFAOYSA-N 437.407 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1359184561 SIAWLWSFPUDEJD-WMZOPIPTSA-N 426.561 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359185472 XTCKWGAZLSUQKM-FNZWTVRRSA-N 438.616 4.884 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359198879 DIYITHXDNZRCPR-LJQANCHMSA-N 445.007 4.977 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC[C@@H]1CCCCO1)C1CC1 1359247423 BAPVQPJEFPSSNU-IBGZPJMESA-N 431.378 4.822 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)COc2ccc(Cl)cc2C2CCCCC2)c1 1434928668 MLHBMKOLIKIDKI-UHFFFAOYSA-N 438.955 4.527 30 10 IJEE C#CCO[C@H](C)C(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1435164184 NHXDUOJNCHLFFQ-OXQOHEQNSA-N 430.342 4.634 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)c1 1443148636 OMVYVQJBTBVQMO-UHFFFAOYSA-N 441.528 4.996 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccc(CO)cc1)c1ccc(C)c(C)c1 1443631805 JWFNUSBTIBYQFY-UHFFFAOYSA-N 431.532 4.973 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1)c1ccccc1 1456293523 PTJTUMJIQPLLJE-ZEQRLZLVSA-N 448.563 4.933 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CCC3 1458823957 LKIBHZAECBUAJM-OAHLLOKOSA-N 439.606 4.869 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 1459635290 UIQMNBAYGCFHJO-FOIQADDNSA-N 429.973 4.819 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C 1465627441 BOWGTEXBOUEKIV-UHFFFAOYSA-N 440.569 4.998 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CSc1ncnc2scc(-c3ccccc3)c12 1468477697 HUVKSDLSOLRNBX-GOSISDBHSA-N 437.590 4.977 30 10 IJEE C=CCn1c(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)nnc1-c1ccccc1C 1472722550 WYDYPWKSPISOGK-UHFFFAOYSA-N 439.484 4.884 30 10 IJEE N#Cc1ccc(Br)c(CNC[C@@H](O)c2cccc(OCc3ccccc3)c2)c1 1474067132 DSSXSJYUVMWIHL-HSZRJFAPSA-N 437.337 4.723 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2sccc2Br)cc1 1476042017 WAMNIORNITXMAM-UHFFFAOYSA-N 448.386 4.689 30 10 IJEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)o1 1498272443 DCVPYWQDXZNXCI-KRWDZBQOSA-N 444.461 4.503 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1507516973 OCRPVMPIHUDEHY-KNQAVFIVSA-N 431.584 4.899 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCN1CC 1507518404 AVNNSFMFALOCPK-CVEARBPZSA-N 428.005 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(OC(C)(C)C)nc1 1507520223 YEOWYDWWCWCCFU-FQEVSTJZSA-N 443.595 4.827 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCc1ccsc1 1507522907 YYPPTPBDXMVDHT-ZDUSSCGKSA-N 433.350 4.609 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC1CCOCC1 1507580332 AMLGYUQRLGIOFK-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(CO)c1 1507814187 LJNNRBHIYGGJNL-UHFFFAOYSA-N 447.402 4.712 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCSC)CC1 1507891780 GOPRJHHCJLUWOI-SFHVURJKSA-N 435.638 4.650 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1507954856 QULXNXMYBZJRMG-SFHVURJKSA-N 425.577 4.987 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H](C)c1nccs1 1508002258 CBMJDVXLEIUNQW-LJQANCHMSA-N 430.581 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CC1(O)CCCC1 1508028002 QEFVWQOEXRSIKZ-UHFFFAOYSA-N 426.948 4.732 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C(C)(C)C 1508029019 XFLYVLGGULHNBQ-LJQANCHMSA-N 443.979 4.883 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCC(F)(F)F)C1 1508115390 ONTYLXHWRNPQMT-KRWDZBQOSA-N 445.489 4.926 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H]1C 1508162695 RQHBYFMRVDHQCZ-ROUUACIJSA-N 449.665 4.547 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2cc(C(F)(F)F)ccn2)cc1 1513625571 BBFKKJUCSIBUAY-MRXNPFEDSA-N 442.489 4.902 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)c(Br)s1 1523503001 ZWZSXNQGEPLEBE-UHFFFAOYSA-N 425.300 4.562 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)cc1 1523871429 OLNAEJGCTYRXQG-XHNVNVPESA-N 427.541 4.783 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)s1 1526737628 PIMOGEMGXAUPNF-UHFFFAOYSA-N 449.985 4.521 30 10 IJEE Cn1cc(C#N)c(NC(=O)CCc2c(-c3ccccc3)[nH]c3c(Br)cccc23)n1 1531730513 FDFCJMORLHKKIX-UHFFFAOYSA-N 448.324 4.774 30 10 IJEE C=C[C@H](OC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1)c1ccccc1 1532001668 LEMVTHPHPKDGHW-NRFANRHFSA-N 438.501 4.937 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)cc1 1532874472 APQLTNYRYDJUQJ-FQEVSTJZSA-N 442.544 4.595 30 10 IJEE C#C[C@H](NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21)c1ccc(F)cc1 1535458976 GCTYEHHXAPLAQH-KRWDZBQOSA-N 432.421 4.512 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2ccc(OC)cc2)n1)c1ccc(Br)cc1 1535483536 MKUXWFBNSQGHEP-QGZVFWFLSA-N 427.323 4.686 30 10 IJEE C=CC[C@]1(C(=O)Nc2nsc(Cc3ccc(F)cc3)n2)CCCN1C(=O)OC(C)(C)C 1536718031 IBTXPQAVBPBBSA-JOCHJYFZSA-N 446.548 4.552 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(F)c(N3CCOCC3)c(F)c2)c1 1537142549 VPNLJXPNWWPFMV-UHFFFAOYSA-N 432.470 4.630 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)noc1C 1538971029 FEXDKIYDAPMBKA-CRAIPNDOSA-N 441.963 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C)CCCC1 1538992829 YYWNWSKPUJSGKX-OAHLLOKOSA-N 431.378 4.754 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 1539035770 MXNCRFSMGVYWQY-UHFFFAOYSA-N 434.989 4.587 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1Cc1c(C)sc(C)c1Br 1539253380 QYSPRHVEQJDOFP-UHFFFAOYSA-N 439.382 4.507 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1539946587 CJESSUWDZZXCGY-JXALWOEJSA-N 432.616 4.982 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539966466 KDXMBGOCCGUBPG-FUHIMQAGSA-N 432.515 4.874 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1540102405 KMKADIDPEAZLCU-UHFFFAOYSA-N 446.599 4.829 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCC[C@H]1C)C1CC1 1540116523 VJHNOOSJFPHULN-CEMLEFRQSA-N 429.653 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC=CCC1 1540147390 LABKFPUFQFQHGG-ZJOUEHCJSA-N 428.602 4.613 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H](OC)[C@H](C)CC 1545449384 GNCBJMAZMLWZTE-MSYCTHLASA-N 439.604 4.772 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1cscc1C 1545535137 BBTHPHZETKPVCU-INIZCTEOSA-N 438.576 4.547 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N)c1ccco1 1547436527 DPXGJANUPXGTJY-YLJYHZDGSA-N 440.979 4.870 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1556559422 HDQGQTQGNDBDGO-NLWGTHIKSA-N 434.939 4.553 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 1559030510 VZOPBUSXIXPUEC-LJQANCHMSA-N 435.528 4.813 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)C(=O)OC 1559310126 RENQIIYIZGMHTB-HNNXBMFYSA-N 448.342 4.559 30 10 IJEE C=CCn1c(SCc2sncc2Br)nc2sc(C)c(C)c2c1=O 1559328852 PJRUTTLAFCMCOD-UHFFFAOYSA-N 428.402 4.772 30 10 IJEE CC(=O)c1ccc(Br)cc1OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 1559387404 VNLWGOJZPSTXHY-CIAFOILYSA-N 428.326 4.911 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)CC(C)(C)C3)cc2n1 1563302182 VQJXCTUDSPEHMY-IBGZPJMESA-N 441.576 4.770 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 1565810512 LRCTZQXKRJKFKW-NVXWUHKLSA-N 434.968 4.830 30 10 IJEE Cc1c(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1568762818 FUNPSPIAWAEAMO-KRWDZBQOSA-N 427.570 4.991 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3cccc(C)c3)c2CCC)cc(OC)c1OC 1583798858 ZFALZUKRXLVORA-UHFFFAOYSA-N 433.552 4.809 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1Cc2ccccc2-c2ccccc2C1 1584168245 FGWYWXLCOLAUHI-UHFFFAOYSA-N 433.305 4.909 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1ccc(Cl)cc1F 1584727163 DDKLXSMSBXBYNS-QGZVFWFLSA-N 438.915 4.902 30 10 IJEE C#Cc1cccc(CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 1585011442 HFFFLUZBTQMNCO-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F 1586990764 CZYJOBCUBBLTEZ-UHFFFAOYSA-N 431.858 4.910 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(O)(CC)CC 1587562089 LAQYHYYVNFWNFR-MSOLQXFVSA-N 432.996 4.697 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1cccnc1)C(C)C 1588166857 RKTKKCFFGGOWEX-XMMPIXPASA-N 443.620 4.786 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC1(OC)CCCCC1 1588297794 HXLGHJHONDBBIQ-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCNC(=O)C1CC1 1589599275 DZTDLRKLDXJOBT-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1589669449 VNZWXEBEHCOYPM-VWLOTQADSA-N 444.627 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(Cl)nc1 1589687395 DLGRNUQWORBGQL-UHFFFAOYSA-N 425.964 4.973 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(C)(C)C 1593703138 FCIFCJCTTACDGI-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1594008964 BVTCKEVOSWTXEZ-GOSISDBHSA-N 429.609 4.522 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CC2(OC)CCC(C)CC2)CC1 1594408414 HRICANMXRMLGOG-UHFFFAOYSA-N 438.616 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 1594498852 YFGSAEOLUPWQDN-WOJBJXKFSA-N 437.636 4.537 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1coc(-c2cccs2)n1 1594857133 JBMWOJXMYASZDZ-OAHLLOKOSA-N 439.516 4.944 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)C)c1 1611016306 MZQWUTCUPWYIEB-FQEVSTJZSA-N 437.483 4.630 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCCCC1 1613385647 AYNQFNVSUJBMHT-LJQANCHMSA-N 425.577 4.560 30 10 IJEE C=CC(C)(C)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1616972376 BNZAOTAMLOXAGH-UHFFFAOYSA-N 434.561 4.777 30 10 IJEE Cc1cc(C)cc(-c2cc(NC(=O)CN3CCC[C@H](CC#N)C3)n(-c3ccccc3)n2)c1 1620412804 BQCUEEIDBHCRPL-OAQYLSRUSA-N 427.552 4.720 30 10 IJEE C#C[C@H](N[C@@H](C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)C(C)(C)C 1621365965 DIXNXGYXFZAPSF-LPHOPBHVSA-N 426.582 4.946 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1621949442 NSNMKNQSAARPFN-IBGZPJMESA-N 441.471 4.786 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(Cl)cc1 1625822082 YSJDYKVEAYURJI-JOCHJYFZSA-N 438.936 4.554 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1628591794 NMOPPCWZNYTVOY-GOSISDBHSA-N 425.495 4.661 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1633352056 QOFOHSIFBXVTJO-VJBWXMMDSA-N 439.600 4.820 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1637848461 SRQQWPOICNVTCB-ZCYQVOJMSA-N 428.532 4.557 30 10 IJEE C=CCC[C@@H](C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1640813888 CWXAHROJGRDBTM-YPAWHYETSA-N 444.497 4.800 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1641354088 PNZGARCPSNOWLU-RXVVDRJESA-N 442.581 4.669 30 10 IJEE C=CCn1c(SCC/C=C\c2cncc(OC)c2)nnc1[C@@H]1COc2ccccc2O1 1643490610 CYGNREUTROJUAL-LHFJYWTJSA-N 436.537 4.576 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccccc1 1648461252 FMIZBOBGIDUYQT-CLYVBNDRSA-N 446.370 4.522 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H](C)Cc2cccc(Br)c2)sc2ccc(C#N)cc12 1653882194 HWCVYGGZJWUXEY-LBPRGKRZSA-N 449.395 4.753 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1cc(C)cc(C)c1 1653969260 OVJYBLKZSPPOGZ-UHFFFAOYSA-N 426.351 4.723 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C1 1654841559 YFGXCVOTPHCGGI-JOCHJYFZSA-N 426.564 4.830 30 10 IJEE C=CCOc1cccc(CN[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 1656214195 MWSACLYUBPNFQZ-NRFANRHFSA-N 443.385 4.916 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 1657183337 XEMFANRPPQWSIF-HNNXBMFYSA-N 440.378 4.783 30 10 IJEE C=CCOc1ccccc1CN(CC(=O)NC1CCN(C(C)C)CC1)c1ccc(C)c(C)c1 1657745837 NSFWNTNFZCTCBS-UHFFFAOYSA-N 449.639 4.864 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(N(CCC)C(=O)c2cccs2)CC1 1658871121 FSOMQXQAFXAIBX-UHFFFAOYSA-N 431.001 4.930 30 10 IJEE C#C[C@H]1COCCN1C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 1658917150 CGBISSLHYLBJSN-INIZCTEOSA-N 425.847 4.686 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)cc1 1661264455 ASMRPJHSMMICDN-QFIPXVFZSA-N 443.609 4.998 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1c(C)cc(F)cc1C#N 1667057241 BDAZAQDEFAKOMO-UHFFFAOYSA-N 437.471 4.721 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1669819793 FVFLKDVGTDPCPE-UHFFFAOYSA-N 448.567 4.957 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC1(C(=O)OC(C)(C)C)CCC1 1672708765 RXEYTRBZZRRFTH-UHFFFAOYSA-N 439.350 4.647 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cc21 1673307716 XYXWOMDDCGAKJF-FQEVSTJZSA-N 441.329 4.590 30 10 IJEE C=CCCCN(CC)C(=O)Nc1cc(Br)ccc1I 1673751173 GBOUZOAPYMJIHV-UHFFFAOYSA-N 437.119 4.874 30 10 IJEE C=CCc1cc(CNC(=O)N(C)[C@@H]2C[C@@H](OCC)C23CCCCC3)cc(OC)c1OC 1676274832 JCMBQOKKWBWALX-FGZHOGPDSA-N 430.589 4.702 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@H](CC3CCCCC3)c3ccccc3)CC2)c1C#N 1676659428 BVZNEHYYFFSTMT-JOCHJYFZSA-N 437.613 4.867 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1676972864 DWXOHDOHJRLCCO-IBGZPJMESA-N 427.504 4.818 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccc(C(F)(F)F)cc1 1679305168 LJFQOBPQKSRWEP-ZTISUFQXSA-N 440.506 4.985 30 10 IJEE C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1679943804 BVIGBRYWTWGWRL-SXSPYAJSSA-N 448.567 4.815 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1680762340 RCFVIMINYBXYIR-TZIWHRDSSA-N 434.458 4.531 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C 1682626904 LFSVFQQPPGFPHN-QFIPXVFZSA-N 429.634 4.577 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)Cc2ccccc2Br)cc(OC)c1OC 1683367462 QKGFGJSVLHPIGS-HNNXBMFYSA-N 447.373 4.625 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1684442947 HMYMLFWEOLCLNJ-UHFFFAOYSA-N 449.595 4.920 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1689912812 BDCKCHFSLJTJIH-JOCHJYFZSA-N 448.640 4.633 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)C(C)(C)C 1690065070 JUQDVVXLLAXNHX-GOSISDBHSA-N 433.394 4.537 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C(C)(C)C)C1 1690222004 GOVOIBJXJCPVOS-SFHVURJKSA-N 445.361 4.851 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1cccs1 1690273228 IXSNRXLNYLZXCA-HNNXBMFYSA-N 429.977 4.697 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCCSC)CC1 1690362793 PKXHSGAELLOHOG-UHFFFAOYSA-N 427.618 4.837 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccnc2OCCC)CC1 1690384249 KYFDECODELETQA-NHCUHLMSSA-N 439.604 4.585 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1690655413 SYLCHPPEWCQECH-MDNUFGMLSA-N 443.680 4.864 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C)CCCC2)C1 1690686763 TXHNABLSXKWKCW-GHTZIAJQSA-N 428.552 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C/C=C\CC)C1 1690689317 BITNHSODMMQYCF-MJRGOJFPSA-N 431.378 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCO[C@H]2C(=C)C)C1 1690689629 IMBIEODVXKVERN-CDXJDZJCSA-N 446.954 4.500 30 10 IJEE Cc1nc(C)c(Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)s1 1693334244 FSEGXGXEQBXRMX-UHFFFAOYSA-N 426.977 4.850 30 10 IJEE C[C@H]1CC(Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)C[C@H](C)O1 1693578455 DAEOMNVAJKBCEJ-IRXDYDNUSA-N 427.980 4.932 30 10 IJEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CCCC1 1694477227 GIPIITLXJCRNKE-SFHVURJKSA-N 433.478 4.555 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1cccc(C)c1 1705695076 HPVZABAOEIIVSA-NZQKXSOJSA-N 436.556 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(C)C)C1 1705696983 RRANNKGLTVNDSJ-VWPQPMDRSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1705698264 ROPCSJQMALYYEY-AZUAARDMSA-N 425.964 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCSC(C)C 1705711461 MCBXOAUPVXUIGG-UHFFFAOYSA-N 426.428 4.590 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1705742762 DZXNCYRJXZPKGE-AREMUKBSSA-N 431.584 4.619 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@H]1C 1705786691 WASDCHAOLMUVRG-MOPGFXCFSA-N 428.577 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705793800 KKDMJYITLVYZBO-CTNGQTDRSA-N 426.605 4.678 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2CCC[C@H]21 1705826010 KWYLUHKBSRAJOQ-YLJYHZDGSA-N 445.405 4.988 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1705851002 QLHPTHUJQFZVQM-UHFFFAOYSA-N 433.556 4.729 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1705851121 VLWSIZASWHWWNP-UHFFFAOYSA-N 429.446 4.571 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CC)CCOCC1 1705871341 GRMNGARWTGAVJC-UHFFFAOYSA-N 430.980 4.992 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@@H](C)C2)cs1 1711498164 DHKSMWXMZCTZAO-BBWFWOEESA-N 436.585 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(Cl)nc1 1722277551 AAJXQRBKGXXUCD-LSDHHAIUSA-N 425.989 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC1(CCOC)CCCCC1 1722299812 TUAXJJIEMMWKFT-QFIPXVFZSA-N 438.616 4.919 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](CC)N1CCCC1 1722301650 DDZREFMVDCWPLA-IEBWSBKVSA-N 432.037 4.556 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722313527 AFHJECVIIKOSHX-IEBWSBKVSA-N 445.405 4.823 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722330953 YGFQFIDZKPJEGE-YFNKSVMNSA-N 436.600 4.645 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722531432 RVQMNDHAZUWGTN-VWLOTQADSA-N 438.572 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)c2ccsc2)CC1 1722562854 NHDNZULOPUNXAZ-QFIPXVFZSA-N 444.988 4.733 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)c1ccccc1 1722598026 YPUFKEIMJTYOLP-UNIVCBNLSA-N 438.616 4.611 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccsc2)C1 1722716514 WAHCLTZHISYMCO-SFHVURJKSA-N 445.386 4.599 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C(F)(F)C12CCC2 1740632272 QGLCUTYKYIDTHU-LPHOPBHVSA-N 444.913 4.580 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCc1cc(Br)ccc1F 1740656329 OAVVHEBKUMFCKB-UHFFFAOYSA-N 443.364 4.543 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1740761674 PFDOUEFTJWWBRC-NZQKXSOJSA-N 440.588 4.571 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1 1740866192 ZBOCOYZGGOOFJL-GOSISDBHSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2ccnn2C)CC1 1740868269 HWCQBJBYERIOLP-SFHVURJKSA-N 438.551 4.641 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)nn(C)c1C 1740891353 ZNFSQWAMXRKASW-SFHVURJKSA-N 442.995 4.709 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@H](F)C1 1741797711 AMKUZZMZQIXVFB-MCIONIFRSA-N 438.320 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)N1CCCCC1 1748655172 SGLKZRAFUDRRIZ-INIZCTEOSA-N 434.415 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749131661 UCBIIGKNLMHBEJ-DYXWJJEUSA-N 429.634 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCC(OC)CC1 1749147936 UOESPISLRWGLEH-UHFFFAOYSA-N 436.398 4.643 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749187700 YHCIBNHWPRVWFD-RBUKOAKNSA-N 434.588 4.827 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1749305812 RWIUFXAEMAIKOX-NHCUHLMSSA-N 425.596 4.532 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2c[nH]nc2C)CC1 1749346799 AJZSGALRBULQER-UHFFFAOYSA-N 440.979 4.577 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749377314 QJDKVACTZISXJT-AZUAARDMSA-N 429.634 4.677 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1Cc1c(C)noc1C 1749528477 RIPRKCSRRBYWJL-UHFFFAOYSA-N 433.512 4.701 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@@]1(C)OCCc2sccc21 1749553925 XKDJKFWXHOGGBP-JOCHJYFZSA-N 444.626 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC[C@H](C)N1CCCCC1 1749565743 QNHUHNSRXYFCCH-NRFANRHFSA-N 430.600 4.936 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC(F)(F)C1 1749590117 PDUMFJBLGKKFLE-LJQANCHMSA-N 427.499 4.527 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@]2(CCSC2)C1 1749613712 GKARCZOCQIGJHR-SFHVURJKSA-N 439.810 4.880 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)C[C@H]2CCCCO2)cc1 1749686198 QADRAXGRASPJOX-JOCHJYFZSA-N 438.597 4.549 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(c2cccc(C)c2C)CC1 1760300316 DQABNLNVUXNZLZ-OAHLLOKOSA-N 432.410 4.644 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C2CCC1(C)CC2 1760300604 ZMJHMOVJAJSXPR-UHFFFAOYSA-N 444.377 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(C)C)C1 1760320439 XGMBZHVDEUQGKU-ZVDOUQERSA-N 429.996 4.847 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1760344407 QEFNAHXMVBWGHV-XMMPIXPASA-N 428.577 4.714 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1760345766 SMMJZKSCCKTERW-GJZGRUSLSA-N 441.523 4.955 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1760420661 TWBQTJIWAOCLHQ-FCHUYYIVSA-N 426.605 4.958 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CC(F)(F)CO1 1760456832 YELOXCONRYPXHH-RDJZCZTQSA-N 440.922 4.735 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCN(CC(C)C)C1 1760458820 VJUYXDLBNRCOMG-GOSISDBHSA-N 432.012 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCCN1CCC(C)CC1 1760459620 ZNQPBGBTXPPRAM-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H](c1ccsc1)N(C)C 1760478990 BBHIDJJFWASIHU-QHCPKHFHSA-N 446.624 4.974 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H](O)C1 1760480377 SUUNEEIJYILGHJ-JTHBVZDNSA-N 447.608 4.546 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C 1760488215 OWAGWEMHNCSJFG-LEWJYISDSA-N 441.620 4.549 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1ccccn1 1760499147 PNTVWMZENOPERN-QHCPKHFHSA-N 445.611 4.780 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2cccnc2)C1 1760539590 RCUMDJZEEXAKLF-QHCPKHFHSA-N 431.584 4.662 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(F)(F)F)CC1 1760566934 KGLIAZXBRZFNNI-UHFFFAOYSA-N 440.535 4.575 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)C#N 1764143375 CQKBMNIUCLABHZ-IEBWSBKVSA-N 447.002 4.988 30 10 IJEE CN(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccs1 1766891781 BTTSYUACYINKHJ-CVDCTZTESA-N 426.634 4.505 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1Cc1ccnc(OCC2CC2)c1 1768637334 DENMTVUUKAWSOZ-UHFFFAOYSA-N 444.583 4.607 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN(CC)CC)CC1 1772554861 VTVBGMPFSTZTNY-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1862433089 UVOIQDJCPGLOIE-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1862442260 CVLXHWQCNMMEDL-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(O)c1 1862489539 CDPLGNPHJMBDCG-QHCPKHFHSA-N 437.536 4.794 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2Cl)c1 1862490897 GPMRDSYSOSFIDI-KKSFZXQISA-N 425.912 4.714 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862498061 ZCEMGRYQNMJPOD-LJQANCHMSA-N 429.900 4.659 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccc(F)cc2)C1=O 1862776151 FNZQCRJRQNNKOE-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(F)c(C)c2)C1=O 1863791673 DEXSTMRXXZLAGV-UHFFFAOYSA-N 445.623 4.896 30 10 IJEE O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1868147611 OSPAWFXCOCVQQF-JKSUJKDBSA-N 448.338 4.722 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 1870152916 RUYONQZHICICNF-NTCAYCPXSA-N 435.487 4.678 30 10 IJEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1 1871345627 ZEYJVDFPRBSPPD-QRVIBDJDSA-N 431.488 4.916 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871371622 AECDPWIHDKIXTR-UUYOSTAYSA-N 446.430 4.685 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871412437 RQYMIKOULCNSIL-KSJDGYIASA-N 433.435 4.857 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 1871972792 KFGUMIGERZTAAT-JOCHJYFZSA-N 432.561 4.898 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)c(C)c3)n2)c(OC)c1OC 1872788331 HFTYHXYVVKJBDT-MRXNPFEDSA-N 440.496 4.702 30 10 IJEE C=CCN1C(=O)C(Nc2ccc3c(c2)OCCO3)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276423 GTRAEFQHYLHQQA-UHFFFAOYSA-N 438.483 4.503 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636818 YSJNLJLJIZRYNU-UHFFFAOYSA-N 445.498 4.938 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccn2)cc1 1874290775 UXPKQUMLRKOTDN-CVKSISIWSA-N 445.548 4.744 30 10 IJEE Oc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCCc2ccccc2)cc1 1874347142 YJCOTCRUUXJJBA-LGUFXXKBSA-N 444.560 4.822 30 10 IJEE Cc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCC(=O)OCC(C)C)c1 1874404052 GJVUYEXIYQKRIN-MFKUBSTISA-N 436.581 4.545 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874526884 MFXGCVJTXNVQQI-ZMOGYAJESA-N 440.569 4.658 30 10 IJEE COCCc1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1874559947 YRSLDOVMBVIUBQ-SSDVNMTOSA-N 437.352 4.524 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccccc3OC(F)(F)F)cc21 1890724007 IMWMVXPWWHXJOZ-UHFFFAOYSA-N 448.441 4.704 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 1894937744 GPWCQRWWONGCGF-IAGOWNOFSA-N 431.321 4.685 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(OC)c1Br 1927302564 DZGPONBOSACLBO-MRXNPFEDSA-N 440.382 4.601 30 10 IJEE N#Cc1ccc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1928775998 VZYVRDOCAXHEQD-UHFFFAOYSA-N 427.504 4.508 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCCC1)C1(C#N)CN(C(=O)OCc2ccccc2)C1 1955023024 XMGWOWVCHQANMG-UHFFFAOYSA-N 427.545 4.861 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3cccc(Br)c3Cl)C2)OC1(C)C 1965480841 LOQKWYAIMWTPBI-GFCCVEGCSA-N 428.563 4.801 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)c1cc(Br)cc(Br)c1OC 1978489924 LPMQVZGZFNFMMO-KRWDZBQOSA-N 441.163 4.993 30 10 IJEE CCCCCC#CC[C@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024388585 WLESBRZIRNTTMV-OZXSUGGESA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2037726524 BDRNHCQHBRGUHM-QFIPXVFZSA-N 448.568 4.997 30 10 IJEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)c(O)c1 2079857131 YFBAJCYZAXTDNX-AWEZNQCLSA-N 448.239 4.576 30 10 IJEE Cc1ccc([C@H](C)n2nc(C3CCC3)c(C#N)c2I)c(F)c1F 2079894899 LVRRZUAOLHGFSI-JTQLQIEISA-N 427.236 4.823 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2118194420 LKYWMIZJBZBXQZ-LRDDRELGSA-N 426.330 4.589 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(OC)c1 2136322459 DLDWHVIUUMFONH-MSOLQXFVSA-N 427.383 4.968 30 10 IJEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)c(Br)c1 2156284070 JALJIGOFXFKLQL-DENIHFKCSA-N 426.358 4.556 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2174764777 CPOHVZKPQLKCQU-HNNXBMFYSA-N 440.357 4.932 30 10 IJEE C[C@@H]1C[C@@H](C)N(c2cc(Br)c(C#N)cc2F)C[C@H]1CNC(=O)OC(C)(C)C 2174767721 MVSHHWXLHMKOQM-UMVBOHGHSA-N 440.357 4.835 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2cc(Br)ccc2Cl)C3)OC1(C)C 2194121739 XATSVVOXSQWPKU-BLVKFPJESA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@H]2CNCC[C@@H]21 2233794403 JSNWPLQWYCEICZ-XFQAVAEZSA-N 434.378 4.863 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@H](N)C#Cc2ccccc2Br)C1 2235723716 LMSQOFJIHPQOJK-KPLVRAHFSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)c1 2255797716 KOZNFUQVYPXUCU-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CC1(C)OB(c2cccc(Nc3ccc(Br)c(Cl)c3F)n2)OC1(C)C 2266742587 CXZBRHDYPYFJIO-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CCCC1(C(=O)Cc2cc(OC)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2281009718 OKTCTGHFKQKECR-UHFFFAOYSA-N 438.362 4.773 30 10 IJEE C=CCCC1(C(=O)Nc2cc(OC)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2281015199 SSIPPWHCKZNKOT-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1CC(N(C)C(=O)OC(C)(C)C)C1 2296290512 DJIREJJMKZBDLN-UUKMXZOPSA-N 435.406 4.814 30 10 IJEE CN(Cc1ccc([C@H](N)C#Cc2ccc(Br)cc2)cc1)C(=O)OC(C)(C)C 2296298196 HVMKBSXHTNBJKA-HXUWFJFHSA-N 429.358 4.868 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1(C)CC1 2296310010 DEQPPLWLDOVIHB-RBUKOAKNSA-N 435.406 4.862 30 10 IJEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1C 2296540219 BHWDXUGRKZDAQU-UHFFFAOYSA-N 433.558 4.901 30 10 IJEE COc1ccc(C=C2Oc3c(CN4CCCC4)c(O)c(CN4CCCC4)c(C)c3C2=O)cc1 2296869848 SFOSHNZCIPVPGU-UHFFFAOYSA-N 448.563 4.517 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)c1 2314478375 SKXMIZVXINEAHY-RUZDIDTESA-N 425.484 4.873 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2N=Cc2c(F)cccc2Cl)c1 2321070533 ZXUUGYMTGVKGIO-UHFFFAOYSA-N 431.924 4.609 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)c(Cl)c2)c1 2321248612 RBRJVBFGPNOIAW-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)c3cccc(C)c3)ccc2C1=O 2322877881 KGQDNCQDKQPGIQ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c3C2=O)cc1 2323034889 BDULMYHONKHKIL-UHFFFAOYSA-N 427.667 4.895 30 10 IJEE Cn1cc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)c2ccccc21 2323310443 MEBZPCWDONNECQ-UHFFFAOYSA-N 440.411 4.922 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5oc4=O)cc(C)c3C2=O)o1 2323579550 QIGIUZKEXVWZQT-UHFFFAOYSA-N 428.396 4.838 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc(F)cc1 2324035389 RYECSMKAYTWCPC-UHFFFAOYSA-N 433.435 4.511 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2325044755 LRILLWAIUPRZHA-UHFFFAOYSA-N 449.503 4.915 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(F)c1 2329622158 LCOXUXCVDUKNPZ-UHFFFAOYSA-N 432.908 4.665 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1c(F)cccc1Cl 2330705890 SHLNLWCAZRZWIQ-UHFFFAOYSA-N 432.908 4.665 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2330961548 NFJRYUSNFUWWOY-HXUWFJFHSA-N 437.525 4.829 30 10 IJEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1CCCO1 2330996150 SQMKAJKPDIFYQD-KRWDZBQOSA-N 436.368 4.949 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1C(F)(F)F 2331123557 ONYNAFMYPOXWII-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C(C)(C)C)cc(OC)c1O 2331366378 SHLHKFUNAOVVSI-UHFFFAOYSA-N 440.569 4.781 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccccc1F 2331444213 YYTZSUGHNQUTJE-UHFFFAOYSA-N 448.446 4.997 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1c(F)cccc1Cl 2331636427 WMXBYLBEXXGTHJ-UHFFFAOYSA-N 449.914 4.775 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588620 LJSCHWHSJHYGRU-KICKTSRDSA-N 443.397 4.784 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2365106032 ZTHCMDACKZHOGF-SVTOKYKXSA-N 445.416 4.685 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)nc2)OC1(C)C 2365110622 SSKBSNGRANZBEK-BUEAWLPLSA-N 445.416 4.685 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3cc(Br)c(F)cc3Cl)C2)OC1(C)C 2368337509 SFVBLBHFZRDSDS-GOSISDBHSA-N 446.553 4.940 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2F)nc2sc3c(c2c1=O)CCCCC3 9194881 ZAVFXWYAHOKFCP-UHFFFAOYSA-N 443.569 4.783 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)c(OC)c2)cc1 34955436 XGEWHZJUAXSKRH-RIYZIHGNSA-N 448.471 4.836 30 10 IJEE C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2ccc(F)cc2)c1 37600368 RBQURRUJMQUTAH-UHFFFAOYSA-N 449.501 4.726 30 10 IJEE CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 39372812 PVHMQDVAHBSABQ-OAQYLSRUSA-N 425.484 4.828 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)c(OC)c1 41355675 PMTUMMPCEYZMBF-UCQKPKSFSA-N 430.456 4.777 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1)c1ccc2ccccc2c1 59022271 QMWYLONAABDFRO-WGARJPEWSA-N 434.500 4.664 30 10 IJEE C=CCOc1ccccc1NCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 66062492 YXWSSGRUEFZUGM-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE COc1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)c(Br)cc1O 96576910 QYZHBTJKIIHZEW-VIZOYTHASA-N 439.718 4.708 30 10 IJEE CC(C)(C)/N=C1/[C@@H](N2CCOCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 105421634 QFZAVOMZERERTG-VFQICSBPSA-N 427.536 4.777 30 10 IJEE Cc1cc(=O)[nH]c(N/N=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)n1 169887822 PHAKWHXYDGCWFZ-AEJDXJHNSA-N 448.530 4.880 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2O)cc1 169923588 MHLVNZZIQJYMDL-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1sccc1C 170107368 GWMMLDFNMLNTKU-SFHVURJKSA-N 432.973 4.630 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(N(C)C)cc1 170128343 AHDCQASCVHCGHU-DEOSSOPVSA-N 444.531 4.521 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170140928 MOENIBNHHRVQEB-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(C)c1 170141505 DOUZQAWBOYMPPW-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170162251 JXCVLYKRKLQXSQ-KUHUBIRLSA-N 443.908 4.905 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170182396 XNLZVXVTEKSOMM-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1 170188960 UEVBOHHQHUHCSA-NRFANRHFSA-N 434.879 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)cc1OC 170227729 OXOWXRPWHDUFOQ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1 170234671 IGBQLDXLTVRNEI-QFIPXVFZSA-N 439.471 4.663 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1F 170252436 VMOUAUWLEUWRTA-JOCHJYFZSA-N 438.543 4.572 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2C)cc1C 170270613 ZLMKPQNYFSBZRU-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(C)o2)c1 170302215 GJRQZFPQARHRIP-HSZRJFAPSA-N 429.472 4.923 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2sccc2C)c1 170313302 CJTFMEHDVNQOLX-GOSISDBHSA-N 449.956 4.722 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccs2)cc1OC 170411671 SXIOCJVRNJYTRT-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccc(O)cc1 170450263 NDAIMKALORXGGN-SFHVURJKSA-N 433.426 4.922 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C3/Oc4cc(OC)ccc4C3=O)cc2OC)cc1 210084940 KYEVTQGENLOXEJ-YDZHTSKRSA-N 432.428 4.548 30 10 IJEE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 253532962 GUERPVMWCQXYEU-LNCMJOGKSA-N 444.656 4.820 30 10 IJEE CC(=NNc1ccc(C(=O)Nc2ccccc2C)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 254304647 YGFCPDSWCNKQQS-UHFFFAOYSA-N 433.424 4.900 30 10 IJEE CCN[C@@H](C#Cc1ccccc1)c1cc(I)ccc1Br 313560674 HZFNSOANQRDJJD-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE Brc1cc(I)ccc1N=C1NC2(CCCC2)CS1 385345051 ZJKIPWNDUIJIBD-UHFFFAOYSA-N 437.144 4.690 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H]1c1nc2ccccc2s1 433952695 GZRZVLHIKNCTOM-PXNSSMCTSA-N 434.565 4.777 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3)c2)cc1 484780769 XCRCWRQTKLCWRO-QFIPXVFZSA-N 429.501 4.504 30 10 IJEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1 505177618 WNYYZAKAYNVUAX-UHFFFAOYSA-N 431.414 4.588 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 518404235 SMXNUBFIAJMVEI-KRWDZBQOSA-N 445.926 4.714 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 519871064 XJWBJVJAWRBAHA-SFHVURJKSA-N 436.512 4.830 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)cc2)cc1OC 526486449 KXZKFZXOMVTVCW-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(N(C)C)cc1 526829471 KWAMZQPUUKZVTO-HAHDFKILSA-N 438.557 4.769 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1cccc(Cl)c1 526830681 UAYXVLNKUOPFLO-UUYOSTAYSA-N 432.933 4.828 30 10 IJEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 555056973 FRVFZRJTQKTTSJ-UHFFFAOYSA-N 426.524 4.614 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 584184910 LHBSLUPKNJGDTR-FQEVSTJZSA-N 446.473 4.829 30 10 IJEE CSc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586231722 RDBCWIPAMAXLHP-UHFFFAOYSA-N 439.518 4.584 30 10 IJEE C=C(C)CN(c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586252384 YXFMYOMFGRXTJO-UHFFFAOYSA-N 428.598 4.592 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(N2c3ccccc3C[C@@H]2C)CC1 609385210 DBBLBWMYKZWWDY-PMACEKPBSA-N 448.636 4.792 30 10 IJEE C=CCN(Cc1coc(-c2ccc(F)cc2)n1)S(=O)(=O)c1cccc(C(F)(F)F)c1 641850128 KPXJSBAMQIKAMP-UHFFFAOYSA-N 440.418 4.876 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)ccc1OC 741187517 FKMMUIQNPSKMHA-NXHRZFHOSA-N 448.441 4.695 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(C)c1 742212603 VQFQYLOJIWBXON-NRFANRHFSA-N 437.540 4.816 30 10 IJEE CCN(Cc1cccc(NC(=O)NCc2ccc(OC)c(C#N)c2)c1)C(=O)OC(C)(C)C 747316372 UYHZEJVTCVSBSX-UHFFFAOYSA-N 438.528 4.646 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1ccccc1 757616697 FOYVNVAMYZTRBC-BZGFVIAMSA-N 430.529 4.594 30 10 IJEE C#CCN(C(=O)c1cnn([C@H](C)CC)c1C)[C@H]1CCOc2ccc(Br)cc21 790636234 ZUMNXWHLSBPFNF-KUHUBIRLSA-N 430.346 4.524 30 10 IJEE C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 790698688 RDIMUMMUYSOVNB-XMSQKQJNSA-N 449.576 4.766 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cccc(C(=O)Nc2ccccc2)c1 1124533920 JEVIIFWCQSJBOJ-UHFFFAOYSA-N 445.471 4.682 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(N3CCNC3=O)ccc2Cl)c1 1125842047 HOXNBZZSTVANSP-UHFFFAOYSA-N 429.907 4.698 30 10 IJEE C=CC[C@]1(C(=O)OCc2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1126665813 DMZIPARTNZGBSY-HXUWFJFHSA-N 429.435 4.974 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@]2(C)C(C)C)ccc1Cl 1129530573 VXKYZLSFRJXQEG-JTHBVZDNSA-N 447.000 4.886 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C\c1ccc(Br)cc1 1141358744 IJFKODJUGLRIPN-KJPDOMRESA-N 443.769 4.614 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 1157201829 KTQDJKYLVXSULG-CTNGQTDRSA-N 449.661 4.586 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1conc1C 1164197570 CSJKZCIUQVVVHY-QFIPXVFZSA-N 431.492 4.795 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Br)c(F)c3C)n[nH]2)c1C 1166203204 GKVPAAKTDHIVDJ-UHFFFAOYSA-N 432.297 4.538 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1166517361 CBEIBYJSGWMPLD-CVDCTZTESA-N 426.582 4.969 30 10 IJEE C=CCn1c(SCC(=O)N[C@]23CCCC[C@@H]2C3)nnc1-c1ccc(Cl)cc1Cl 1171404145 YWEBOZRTRBGLPS-XCLFUZPHSA-N 437.396 4.979 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c(Cl)c2)nc2sc(C)c(C)c2c1=O 1188226710 UZPMYRLEACJDOV-UHFFFAOYSA-N 434.970 4.993 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(F)(F)F)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1201290063 IFRYQBNMNIOSSE-UHFFFAOYSA-N 439.478 4.880 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC(C)(C)N(C)c3cc(Br)ccc32)cc1 1211725306 NKDKDQKTIFDNJV-UHFFFAOYSA-N 449.414 4.991 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2c(C)nc3ccccn23)cc1 1215055601 FRBFVPGGIFZUHP-UHFFFAOYSA-N 427.464 4.637 30 10 IJEE C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1227349677 WZVZWPILIRGCCW-PDOGEWKWSA-N 429.561 4.544 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@]12CCCC[C@H]1C2)[C@@H]1CCOc2ccc(Br)cc21 1254154067 IQCYTOPBMBJXDS-LIWAJOSJSA-N 431.374 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1286280706 BTZYBWKMMHOROB-BZSNNMDCSA-N 446.014 4.952 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC[C@H](C)C1 1286339669 NYTGDPJYMBSZES-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H](OCC)C(C)C 1286363480 SITAHKIUIGNSCF-XMMPIXPASA-N 433.600 4.873 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)[C@@H]1CC 1286565132 JDYHBZPRNPOMNL-KSPYYYPUSA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCN1CC 1286571330 OMOFSFYDZORBIX-SFHVURJKSA-N 446.437 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C1CCC1 1286670586 LCUZLCGCDFCNRM-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286701844 GTTVOTPKWKMWBH-LJQANCHMSA-N 445.633 4.590 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@@](C)(CC)O1 1286753348 BDSBHVFFLCFVMU-OXJNMPFZSA-N 434.382 4.562 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)SC 1286763882 XOSJVPJZKDLPJG-UHFFFAOYSA-N 431.993 4.963 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCO[C@H](C)C1 1287602964 HTFYCHSGIIYNBA-YADHBBJMSA-N 448.615 4.862 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 1289624890 OYCQBUPICHRWSK-SFHVURJKSA-N 425.554 4.709 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccsc1Br 1291154869 HIRNUSWTUUDEST-KGLIPLIRSA-N 442.386 4.924 30 10 IJEE C=CC[C@H](NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccncc1 1293578402 XDDHURPNYGKWOX-BVZFJXPGSA-N 441.531 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCCOC(C)C 1300287184 VPVKQAYRXITMNE-HNNXBMFYSA-N 437.357 4.510 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](COCC)C1 1300349550 UQWMOGXJPMVGNL-GOSISDBHSA-N 445.405 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1300586936 FIGMUAFOGLQYCA-NRFANRHFSA-N 445.636 4.523 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1 1300861225 CNQPIQZFKSTYKV-CQSZACIVSA-N 437.357 4.777 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1300996393 GDEUDZOAHVTQBJ-FQEVSTJZSA-N 429.634 4.752 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CC=CCO2)CC1 1301112444 WSKNYYXFMBCLDK-QGZVFWFLSA-N 447.352 4.594 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nc(C)c(C)s2)CC1 1301134741 NSFFLTFWXIGHOK-UHFFFAOYSA-N 437.613 4.998 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC1CCOCC1 1301151857 RNNRPYVABWWALH-JOCHJYFZSA-N 440.588 4.646 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301202578 LRDJEZCFAGKVAF-RTBURBONSA-N 428.552 4.655 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)NCCCC)CC1 1301212671 ZWMFETNVFFVAIT-UHFFFAOYSA-N 446.599 4.592 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cnc2ccccc21 1301379403 IVFYVKJDITZQPW-UHFFFAOYSA-N 433.947 4.612 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1301383890 JYJHMCKPQURTIG-ISKFKSNPSA-N 429.568 4.995 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CCN1CCC[C@H]1C 1301405763 KFJXHVJETJVBQO-LJQANCHMSA-N 439.991 4.911 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)cc1 1301526577 PARVYZDOTYSHBD-NZQKXSOJSA-N 431.584 4.892 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1C)[C@H]1CC[C@@H](C)C1 1301744890 HMJYTVHYZQLCBE-UTKZUKDTSA-N 435.597 4.876 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1302118251 ARFQSFPNQVYRCK-NZQKXSOJSA-N 439.579 4.589 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)cc2n1 1304006898 LCBXBRVMIXIYSV-UHFFFAOYSA-N 445.567 4.816 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1)c1ccccc1 1306539417 NSZTWBRNDCJFJH-AWEZNQCLSA-N 443.288 4.980 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1)c1ccc(Cl)cc1 1306855643 SZRQZALZKJVRPP-XMMPIXPASA-N 441.918 4.780 30 10 IJEE Cc1c(Br)cccc1CCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1309838174 ALJCGVGUCBMCOY-UHFFFAOYSA-N 449.395 4.673 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cncc(Br)c1 1310504049 FUUNKJPITYOBMK-UHFFFAOYSA-N 443.114 4.966 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccccc1 1312333907 FDWZBKBRVBIVCK-HSZRJFAPSA-N 425.536 4.646 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1312732172 FFAABWTXURHJBK-UXHICEINSA-N 436.506 4.630 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)cc2C)nnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 1346076815 FXKLESXPJCZOOK-QHCPKHFHSA-N 447.627 4.757 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2n1Cc1ccccc1F 1350954707 RAPAOEWBQABINR-UHFFFAOYSA-N 427.479 4.997 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)SCc1nc(O)c2ccccc2n1 1351336973 YCMLRVZKZALIMG-ZDUSSCGKSA-N 433.986 4.887 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)c(OC)c1 1357398417 DQNTUKJHSMAHSI-UHFFFAOYSA-N 442.512 4.797 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)c1 1358007895 ZVABUYJMCDZDMN-NRFANRHFSA-N 442.581 4.581 30 10 IJEE CCCCc1ccc(N2C[C@@H](C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)CC2=O)cc1 1358125288 FVTPOUFTGYWQOJ-DEOSSOPVSA-N 427.548 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(COC)CCCCC1 1358873929 PYVLMSKDYXQJGM-RTBURBONSA-N 428.552 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN(CC(C)C)C1 1359114268 FMVQADGZHRTXJU-HXUWFJFHSA-N 445.602 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1Cc1nc(C2CC2)cs1 1359116772 YCFWXFPHXQRAIB-UHFFFAOYSA-N 427.549 4.781 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)cc1 1359133564 VCDCZPURZGEVGV-UHFFFAOYSA-N 435.410 4.858 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNc2ccccn2)CC1 1359181467 TTWWYCWCMLUNJT-UHFFFAOYSA-N 446.599 4.774 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1359242584 LJLKSQYXYIKEAQ-HSZRJFAPSA-N 435.641 4.855 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@](C)(CC)O1 1359258944 HWUIYZSJDFGGEM-BVAGGSTKSA-N 431.584 4.804 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCC1 1359262487 VDFWCBBQJJMUMR-UHFFFAOYSA-N 432.952 4.907 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccc(F)cc1 1359277397 LCQIUSVSGUUSDG-RUZDIDTESA-N 440.563 4.742 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359284723 JKOVROZUWCNQQZ-UHFFFAOYSA-N 439.604 4.733 30 10 IJEE C=CC[C@]1(C(=O)NCc2cc(C)ccc2Br)CCCN1C(=O)OC(C)(C)C 1436824792 UYBCTZBEJCYIQU-OAQYLSRUSA-N 437.378 4.720 30 10 IJEE CCN(C(=O)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1 1439272339 GAMQAEBFNSIWKR-UHFFFAOYSA-N 433.895 4.787 30 10 IJEE C=CCC1(C(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)CCCC1 1444546545 DNNJCNJJSWLHGW-UHFFFAOYSA-N 440.481 4.958 30 10 IJEE COCCN(Cc1ccccc1C(C)(C)C#N)C1CCN(C(=O)OCc2ccccc2)CC1 1460341520 HNORSJFRNZSHQQ-UHFFFAOYSA-N 449.595 4.737 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 1460572973 UEVNUHWKANTLFK-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE COC(=O)[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)Cc1cccc2ccccc12 1465035214 GYSVPNUUCDLPKI-QGZVFWFLSA-N 441.314 4.780 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C)c(Cc2ccccc2F)s1 1466542947 BUNOMNOHJLTHMS-UHFFFAOYSA-N 429.517 4.877 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n12)c1ccc(F)cc1 1466666529 OCTCCWDQZZYHEI-SFHVURJKSA-N 448.889 4.697 30 10 IJEE C=CCN(C(=O)Cc1scnc1-c1ccccc1)[C@H](Cc1ccccc1)C(=O)OCC 1466892950 HHVDDMMXXGICNY-OAQYLSRUSA-N 434.561 4.542 30 10 IJEE Cc1cccc(Oc2ccc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)nc2)c1 1467699187 FRKRTZKLQKZHQC-XMMPIXPASA-N 446.938 4.858 30 10 IJEE C#C[C@@H](CC)NC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 1467769920 HFSIKBKUWIOPCT-LBPRGKRZSA-N 445.755 4.589 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 1470142655 KWKBFLIFQGMGBR-QHCPKHFHSA-N 445.437 4.910 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br 1470787146 SWMDWOHULCVQLY-CTASWTNQSA-N 434.216 4.659 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CC1 1478061138 LUXQWCIXMJOGCF-QFIPXVFZSA-N 448.535 4.503 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CCN(CC)CC)c1ccccc1)c1ccc(Br)cc1 1478896545 OWEQVIHRPSGSCO-VXKWHMMOSA-N 442.401 4.896 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1OCC 1507524997 YGAVQSWLKINCIP-CQSZACIVSA-N 445.386 4.674 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1507567802 OYHSDJPRFBJIQJ-FQEVSTJZSA-N 434.506 4.877 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1507576876 NQNYIHJVVWEJTN-FQEVSTJZSA-N 432.572 4.533 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1(F)CCC1 1507660497 VTMDQRXATFQZEE-GOSISDBHSA-N 428.939 4.817 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507665246 TWAAWYBVINSXAX-RTBURBONSA-N 430.474 4.710 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1507685908 XFNDNKSVQAHRNP-KRWDZBQOSA-N 432.515 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@]1(C)CCCS1 1507766828 ZATKCNXBMAFPTC-NHCUHLMSSA-N 445.430 4.985 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1507772751 UAUUVURTNFOETH-UWUFEASWSA-N 440.563 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN(C(C)C)C(C)C 1507816402 FJVBVIPZMGWIOF-UHFFFAOYSA-N 437.430 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1507817368 ITBNAXUPIKELCC-TUNNFDKTSA-N 443.661 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ccn(C)n1 1507822903 ARZYGIMYYSNWCV-UHFFFAOYSA-N 431.009 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](CC)N1CCc2ccccc2C1 1507826413 NKUMQZUWRQDSLU-RUZDIDTESA-N 444.627 4.503 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507830969 RKNCTCGEECGEGU-LJQANCHMSA-N 445.995 4.592 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1507836340 HLVSQEACYRFQLN-RTBURBONSA-N 429.634 4.922 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1csc(CC)n1 1507839463 RMMVCRQFBDAGKI-UHFFFAOYSA-N 437.569 4.939 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1cc(Cl)ccn1 1507839956 WRCNVRGQNNZXFU-UHFFFAOYSA-N 437.931 4.969 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1507848382 XLZCYBYWJVPLLO-GOTSBHOMSA-N 438.616 4.681 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OCCCC)CC1 1507877923 FFHWJOZVWZGOMY-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1507892711 XYJVIWFJLOGVJX-QGZVFWFLSA-N 439.585 4.591 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1507926579 HAYDHNVNXANGJC-UHFFFAOYSA-N 429.565 4.696 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1csc(CC)n1 1507973333 ZRLHHYZXMYKESO-UHFFFAOYSA-N 436.354 4.536 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C(C)(C)C)no1)C1CC1 1507995083 DFZLIQCABBBTPU-UHFFFAOYSA-N 441.963 4.999 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(C)(C)C2CC2)C1 1508130148 VAQGUDJLTJTFLR-PWRODBHTSA-N 430.637 4.804 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1508164263 HXZHWJYJWXJRLH-UNMCSNQZSA-N 426.630 4.760 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC=C(c2ccccc2)C1 1508165350 SGKVRNNNXXOAKJ-UHFFFAOYSA-N 437.638 4.847 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)cc1 1513636606 DFUYNAQEKUEJBY-IBVKSMDESA-N 434.632 4.758 30 10 IJEE C=C[C@@H](CC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1ccccc1 1523011726 JBWGITWHVFDBBK-PKOBYXMFSA-N 438.593 4.834 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cccc(N3CCOC3=O)c2C)s1 1523666984 CASVPSXZUHGMDE-UHFFFAOYSA-N 437.974 4.742 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)c2oc3ccccc3c2CSC2CCCCC2)C1=O 1524312643 DSJHQRQKULQWJX-FQEVSTJZSA-N 426.582 4.858 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1OC 1528270748 DRGRYATTZADPKG-MHWRWJLKSA-N 434.536 4.974 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 1528615739 ZNIQGTDKXGXSGE-UHFFFAOYSA-N 429.476 4.739 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H]3C[C@@H]3C2)c1 1530877912 YAHLPKKBZMKZOH-ILZDJORESA-N 444.984 4.640 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2nc(C(C)(C)C)cs2)c(C(=O)OCC)c1C 1532545411 PNXJHVCYLIAGGA-UHFFFAOYSA-N 436.555 4.582 30 10 IJEE Cc1cc(F)cc(-n2cc(C(=O)OCc3ccccc3Oc3ccccc3C#N)nn2)c1 1532619776 GGYXAHBXNWGZAF-UHFFFAOYSA-N 428.423 4.736 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1536538919 HHOYEHPQTSLJIH-IIBYNOLFSA-N 448.523 4.533 30 10 IJEE C=CCc1cc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)cc(OC)c1OC 1536917750 ADBSYTHFYSCXRV-UHFFFAOYSA-N 426.582 4.787 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 1537409972 RYTQLYSKQRQYOZ-UHFFFAOYSA-N 438.461 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC(C)(C)C1 1538970113 AADCNSYKZHGDQP-RBUKOAKNSA-N 444.023 4.651 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1539052702 RKTYBSQEXJKHSG-WIYYLYMNSA-N 428.367 4.640 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1539077768 KNHPMCMXHZDWSX-UHFFFAOYSA-N 439.532 4.846 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(CCOCC)CCC1 1539250731 SIRZZUSWUKUQEY-UHFFFAOYSA-N 445.394 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H](O)C1 1539656068 SNYZEGHVQDVMLK-APWZRJJASA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CCOc1ccc(Cl)cn1 1539672087 RAOIYDRKPKOKEC-UHFFFAOYSA-N 429.927 4.538 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539750482 PZJJMPFRQJSROX-DEOSSOPVSA-N 447.023 4.756 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1539758306 JZWUFAGKLIKNLZ-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1539824234 QAOFTTGMICRIIL-GJRWTSMGSA-N 447.838 4.969 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ncc(CC)s2)CC1 1539836867 YOHQAUBBFDZUIQ-UHFFFAOYSA-N 429.977 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@](C)(OC)CC1 1539929227 OYWDAZPDEUZODD-VWLOTQADSA-N 442.604 4.863 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1539999069 WZUQLUDJHVTLFW-SFHVURJKSA-N 442.995 4.805 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNC(=O)C(C)C)C1CC1 1540098854 KATQJRJLXXEEOV-UHFFFAOYSA-N 441.645 4.593 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc2c(n1)CCCC2 1545719250 CQSRQGQZOQIKMT-AUSIDOKSSA-N 428.584 4.738 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)C1 1557634694 OIXTWQBCGWJWMV-HNNXBMFYSA-N 436.936 4.627 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(C)o1 1558189129 BZRIBIYXYDDOFI-QFIPXVFZSA-N 431.492 4.795 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1cccc(CC(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370281 LLEFCJMJDRGEMJ-FQEVSTJZSA-N 426.601 4.850 30 10 IJEE C=CCn1c(Sc2cc(Br)ccc2C#N)nnc1-c1cccc(OC)c1 1559132623 XIGAEEFJPUUIRC-UHFFFAOYSA-N 427.327 4.925 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CC[C@H](Cc4ccc(F)cc4)C3)c2C#N)C1 1559546663 BQDWMZBQHHPQFW-FUHWJXTLSA-N 425.573 4.777 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 1563901014 ZYZKIYMRXOCYEU-JRGCBEDISA-N 439.522 4.513 30 10 IJEE C#CCN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1CCCc2ccccc21 1564642567 NCMPVUZJHVXKMG-PMACEKPBSA-N 443.316 4.744 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 1585561250 DHRNCQCILBYSDZ-UHFFFAOYSA-N 430.482 4.587 30 10 IJEE C[C@H]1[C@H](C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)CCN1C(=O)OC(C)(C)C 1585624397 FVMYXNCRLMNRIX-RVKKMQEKSA-N 439.478 4.592 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H](c1ccccc1)N1CCOC1=O 1585624404 FYXQSDUQTKIKBU-OXJNMPFZSA-N 445.441 4.530 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)c1 1585977384 GTWKOAOPGCAMNK-UHFFFAOYSA-N 428.492 4.782 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 1586027976 VCJLJBLLCOMSMK-HKBQPEDESA-N 428.517 4.788 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1587307257 PPRMVKRLWLEXJS-RUZDIDTESA-N 425.573 4.799 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Br)cc1 1587755301 XVWPGOYNJVXWHO-UHFFFAOYSA-N 438.373 4.851 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCCCO1 1587812775 BPZJCLUEXYEHMU-HSZRJFAPSA-N 431.584 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCOC1 1589608928 QSRSMZNXCOEYKO-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(O)(CCC)CCC)CC1 1594128509 RMAPOMLDFYJYOD-UHFFFAOYSA-N 432.996 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)CC1 1594449163 SNPGDTXIFSKQCT-UHFFFAOYSA-N 429.996 4.700 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCOC(C)(C)C1 1594885771 OWEOCJPHKUNSSL-UHFFFAOYSA-N 446.020 4.546 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CCc1nccc(C(F)(F)F)n1)C1CC1 1595043732 CSKHLMLTLHTWHS-UHFFFAOYSA-N 448.880 4.805 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCc1ccccn1 1595190774 GRAOIECGEIFRMZ-UHFFFAOYSA-N 442.336 4.663 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2cc(OC)ccc2Cl)no1)c1ccc(Br)cc1 1596985019 KMWNXENEHVSBQU-KRWDZBQOSA-N 445.700 4.870 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nn(CC(F)(F)F)cc1Cl 1611157536 YQKIAXWHNSXFMP-UHFFFAOYSA-N 427.732 4.935 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](COCc2ccccc2)C1 1615659285 CGBVXFALAZSWDJ-AZUAARDMSA-N 437.609 4.754 30 10 IJEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1618313156 HMPXXCIYHYSHTR-TZRRMPRUSA-N 433.552 4.626 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)c2C#N)C1 1618705440 FLTRGUCYCKMIBJ-GFCCVEGCSA-N 435.471 4.675 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(F)cc1I)c1ccc(Cl)cc1 1623185984 VREIOTAUDOCTJV-AWEZNQCLSA-N 428.632 4.580 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)C(C)C 1628249117 LIMYVXVQYZQTBI-CWBXHPNXSA-N 447.664 4.760 30 10 IJEE C=C(C)[C@H](NC(=O)CSc1nccn1-c1ccc(OC)cc1)c1ccc(F)c(F)c1 1634453644 MFVIJISBMGSKPZ-NRFANRHFSA-N 429.492 4.685 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1COc1ccc(Br)cc1)c1ccc(F)cc1 1636548408 PSLVRGGLYSYQRH-AZUAARDMSA-N 431.305 4.516 30 10 IJEE C#C[C@@H](NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1637345995 ZRKBBKJWBXJJAB-GOSISDBHSA-N 433.430 4.613 30 10 IJEE C=CC1(CC(=O)N2CCCSC[C@H]2c2ccccc2OC)CN(C(=O)OC(C)(C)C)C1 1637500687 GIHCQCBWUBMJKC-IBGZPJMESA-N 446.613 4.515 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2)nc2sc3c(c2c1=O)CCCC3 1643477192 ZXHXDRDKAFNXGV-AWEZNQCLSA-N 440.590 4.895 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2nnc3ccccc32)cc1 1652378578 KPWGZUKAQUOLLZ-FQEVSTJZSA-N 435.528 4.609 30 10 IJEE C=CCn1c(SCC(C)(C)CN2C(=O)c3ccccc3C2=O)nnc1-c1ccc(C)cc1 1652741785 WUXNFKDIGIVMCU-UHFFFAOYSA-N 446.576 4.854 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2nc(C(F)(F)F)n3c2CCCC3)cc1OC 1656803282 WEXUXRWDJPYXTO-UHFFFAOYSA-N 429.870 4.755 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)C2CCN(C(=O)c3ccccc3)CC2)cc1OC 1657350073 MVWQDRNZEBNPPD-UHFFFAOYSA-N 428.960 4.650 30 10 IJEE Cc1ccc(NC(=O)C2(CNCc3cn(C)nc3-c3ccc(C#N)cc3)CCCC2)cc1C 1661599813 FGNSIRLBNWDPLM-UHFFFAOYSA-N 441.579 4.864 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 1662573471 KMYIZXPSIZWJDB-FQEVSTJZSA-N 444.373 4.973 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 1663165652 FNSFOOULDYUHLW-UHFFFAOYSA-N 434.355 4.591 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)c1ccc(Br)cc1 1664133161 HNWGHZHUTHJGIF-OAHLLOKOSA-N 440.771 4.970 30 10 IJEE N#Cc1cc(S(=O)(=O)NCc2ccc(-c3cccs3)cc2)ccc1Br 1664931900 HUUIEECSYRJORC-UHFFFAOYSA-N 433.352 4.528 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)cc1 1668390038 ZJQXPJMCTWCBPO-FQEVSTJZSA-N 427.451 4.931 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(Sc2ccccc2)ns1)c1ccc(Br)cc1 1669220992 LPXRBNFFUVBLEC-HNNXBMFYSA-N 445.367 4.948 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OC)c(Br)c(OC)c1)c1ccc(Cl)cc1F 1669663901 YJVMUSMQVNHAPV-CQSZACIVSA-N 441.684 4.755 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnn(-c3ccccc3)c2CCC)cc(OC)c1OC 1670064960 CBVVKNDWWYMJNV-UHFFFAOYSA-N 434.540 4.892 30 10 IJEE O=C(NC[C@H](CO)c1ccc(F)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1676557633 BWSKXFCYBRHXKK-CZUORRHYSA-N 438.343 4.523 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 1678200162 LSYNBPKDOKKLAG-FPOVZHCZSA-N 447.551 4.696 30 10 IJEE C=C(Br)CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1683397649 GZRSAPUPQBDDTC-GOSISDBHSA-N 448.361 4.613 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1686427112 FDQZTOPXMMFXGA-RUZDIDTESA-N 443.588 4.717 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1689937018 LYNNSCZEZJNMTM-JOCHJYFZSA-N 435.597 4.994 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1ncc(C)s1 1690088616 RFWHFQTVTRZVGW-QGZVFWFLSA-N 448.571 4.631 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@H]1CCCCN1CCCC 1690089773 MHVUEJIPAKQSSY-XMMPIXPASA-N 437.607 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCOC(C)(C)C 1690199837 AUMSFGZMQRDPRH-OAQYLSRUSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](OC)C(C)(C)C 1690202797 FRNUGYCQWFIQRJ-SQJMNOBHSA-N 433.556 4.653 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1690223707 ZMOSCFDAHHEHNO-ZDUSSCGKSA-N 448.752 4.805 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)SC 1690258520 JEBLPQCZOVEVRO-CQSZACIVSA-N 439.423 4.870 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCN(C)CC(F)(F)F 1690259437 JLZAVZGWHDSVBK-UHFFFAOYSA-N 429.918 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCO[C@@H](C)C1 1690271396 NVVIGXRGZJQIGV-OALUTQOASA-N 430.618 4.797 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCSC(CC)(CC)C1 1690340922 AYOIPFCWLPXZJA-UHFFFAOYSA-N 443.020 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCOC[C@H](C2CCC2)C1 1690434673 CDZHGOUMUFUBOE-JOCHJYFZSA-N 438.616 4.733 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CC1(SC)CCN(C)CC1 1690565341 HKLZLDMLNHDPKG-UHFFFAOYSA-N 425.646 4.566 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)Cc2cccs2)C1 1690694361 NBVALAIENDLEEE-RTBURBONSA-N 438.597 4.675 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705526611 ISPRSAHBHHEENP-MOPGFXCFSA-N 425.646 4.608 30 10 IJEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OCCC(C)C)CC1 1705530782 UYQRKWKHMMTCBE-UHFFFAOYSA-N 433.600 4.882 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(C)(C)C)cs1 1705670358 QUTMVXFKOUXLSF-RUZDIDTESA-N 444.608 4.806 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC(OC2CCCC2)CC1 1705687232 ATOSMQQIMUPEBL-UHFFFAOYSA-N 425.415 4.703 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1occc1C 1705714471 SBPLWDFGEOISBR-UHFFFAOYSA-N 446.555 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCOCCOC)CC1 1705765203 CCJFSFBSGCBVFN-UHFFFAOYSA-N 442.560 4.632 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSC(C)(C)C1 1705817258 FYAVWQAANQQAKI-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1705943167 PRMXVGDXTHTKKE-JOCHJYFZSA-N 444.608 4.590 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cc(C)on1 1705945111 ZTHNRCNGDXVOGL-UHFFFAOYSA-N 448.390 4.560 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(C)C)CC1 1722341525 YPJJLXJXJPPICY-FQEVSTJZSA-N 429.609 4.636 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722344269 VGEWYUBZIVQGKP-CVDCTZTESA-N 431.584 4.712 30 10 IJEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722348991 COSMDSFTHOMYKL-HKUYNNGSSA-N 427.474 4.931 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(C)CCCS1 1722390720 FJQAAYZLSLYJIR-PXDATVDWSA-N 436.625 4.784 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)SC 1722391252 YZUAAOLDQDXIAH-MOPGFXCFSA-N 445.032 4.903 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCSC(C)C 1722421035 FMCFZTYPQGEKMO-UHFFFAOYSA-N 428.602 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)C[C@@H](C)CC 1722495384 HGJSAFDIEWRVBW-NOXFTYBFSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nccc(C(F)F)n1 1722514924 HIIPMUYNOXETMC-UHFFFAOYSA-N 442.514 4.652 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1 1722529615 XMUBEQYKWGNSOV-SJLPKXTDSA-N 437.009 4.606 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nc(C)cs2)CC1 1722561258 MNQDBZOLHHJMCB-UHFFFAOYSA-N 436.404 4.739 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCOC1 1722662692 LLOWLRKGIKDLDW-FQEVSTJZSA-N 438.597 4.765 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CC=C(C(F)(F)F)CC1 1722707488 QNQQLYRJQZBDKY-UHFFFAOYSA-N 429.446 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCCC(F)(F)C2)C1 1722716325 UGYUCXPJYHAHRY-RBUKOAKNSA-N 446.542 4.951 30 10 IJEE CS[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C#N)CC1)C(C)(C)C 1731053611 DMQLOCXXXAEHLB-NRFANRHFSA-N 436.629 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1740552792 RRBXBYXOHBCDPB-LJQANCHMSA-N 447.558 4.621 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1cccs1 1740719392 KXCCCPNZUWIBRM-LJQANCHMSA-N 444.576 4.917 30 10 IJEE C#CCSCCn1c(N2CCC[C@H](c3nc(C(C)C)cs3)C2)nnc1C(C)(C)C 1740723406 PUOMAHKXPBUVOC-KRWDZBQOSA-N 431.675 4.906 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1740833956 ZUZCYVUOVVCMJM-HXUWFJFHSA-N 429.653 4.618 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 1740882629 SCJKNFWOQTYEQN-UHFFFAOYSA-N 437.769 4.680 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1740891884 LQMAFPAPDMYJFT-QUCCMNQESA-N 427.593 4.698 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1N(C)CCCC1(C)C 1740903698 HWKLCACYOZDCTE-JOCHJYFZSA-N 439.648 4.897 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1Cl)N(C)C 1740905026 HHHXAMZYWPNPMB-HMXCVIKNSA-N 446.039 4.775 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1740940260 YPNKSOSIGRLJCU-GOSISDBHSA-N 434.531 4.808 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740945845 ZRKHKWRYTRKEPV-LJQANCHMSA-N 444.023 4.886 30 10 IJEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1Cc2ccoc2CC(C)(C)C1 1740971715 UOFRJIRLXNXQSG-UHFFFAOYSA-N 436.556 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1cccc(C)n1 1748684878 QKROHDNYNRUNGU-OAQYLSRUSA-N 431.584 4.693 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCC1CCOCC1 1748701678 NTWUWCYYFYUQER-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1748703493 RFRMSMYCOWEIOH-UHFFFAOYSA-N 447.583 4.578 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1748710209 JUNVTMYNIUMIMU-UHFFFAOYSA-N 447.627 4.580 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1748730921 RSWMEKQZFKXYEI-OXQOHEQNSA-N 443.389 4.819 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCN1CC 1748917638 GVDJWJKGTJUOJP-FQEVSTJZSA-N 437.588 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(C)n(C)c1=O 1749147071 YJCXIAYMTQKCJG-UHFFFAOYSA-N 433.600 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCC(C)CC1 1749165501 HATBBPWJKAYJTM-QFIPXVFZSA-N 434.632 4.804 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(C)CCCS2)CC1 1749346986 FLTCTPCCVNGAHY-XMMPIXPASA-N 442.629 4.944 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2Br)n1Cc1cnn(C)c1 1749384130 SESLFYOQEHMWDH-UHFFFAOYSA-N 443.393 4.672 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](CN(CC)CC)C1 1749415661 RAQDBKNADZPQHP-NRFANRHFSA-N 432.616 4.936 30 10 IJEE C=CCCOCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1749445766 XRQOGNBHMPDYAV-APWZRJJASA-N 441.576 4.764 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C 1749537892 PIDNRXJNUPOZNN-SFTDATJTSA-N 426.630 4.896 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@@H](C)C1 1749592480 NMXWAFOJVPLGLI-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2OC(C)C)C1 1749717260 IJVZDFDMTOPHKN-NRFANRHFSA-N 438.597 4.547 30 10 IJEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1750481077 GTBGLNVRTROOEV-UNMCSNQZSA-N 438.595 4.513 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1760136141 CQNHDOVNQUQETK-VQTJNVASSA-N 427.618 4.781 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1760147056 GAKXDKYLYPMMPR-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](SC)C(C)(C)C 1760209339 ATGDDQDVMRILCI-RXVVDRJESA-N 442.604 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)NC1CCCCC1 1760334110 QYMRWAGRDNUDPD-UHFFFAOYSA-N 434.588 4.668 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C(C)C)CC1 1760345530 GDCHNLBBUMIFMS-UHFFFAOYSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCc2nc(C)c(C)s2)CC1 1760404663 FOGBNPLMCNHKDE-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1760434471 BPMHXZVUQQURAW-QGZVFWFLSA-N 445.405 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C(=O)N(C)C)c1 1760457445 SEIWWQARXUUOKQ-KRWDZBQOSA-N 449.624 4.504 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1CC1(O)CCCCC1 1760478717 PQHZFYBBQFGIQG-UHFFFAOYSA-N 438.616 4.907 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 1760568281 DTPAXRRFGDPTJN-QZTJIDSGSA-N 436.666 4.510 30 10 IJEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1 1763411347 GMANBNDFPXPGTK-CJAUYULYSA-N 448.571 4.527 30 10 IJEE CC(C)Cc1nc2ccc(C(=O)NCCCCCC(=O)Nc3ccc(C#N)cc3)cc2[nH]1 1860832775 WMZUMPODJHXYIP-UHFFFAOYSA-N 431.540 4.562 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 1861203142 URNRIHJQLMNCAM-FPOVZHCZSA-N 436.040 4.533 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccc(Cl)s1 1862247606 VMBJSFUNXJDHQV-QGZVFWFLSA-N 435.014 4.634 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862431285 DFXUQNCXSDRBBV-HXUWFJFHSA-N 427.884 4.662 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862433855 MVSBVLSMFSCGMH-QFIPXVFZSA-N 447.922 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1862448664 SEERILLXAJPRFM-IBGZPJMESA-N 426.856 4.769 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(CC)cc1 1862556147 PUCFLLTVSRPQEL-QHCPKHFHSA-N 436.552 4.616 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(CCCc2ccccc2)C1=O 1863151793 LKJUNEDFYYBAFM-UHFFFAOYSA-N 425.463 4.522 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)cc1 1867671465 SCALDZYFITTYSB-SXOMAYOGSA-N 447.538 4.870 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1 1868959531 WUISASGUYFJULN-QPPBQGQZSA-N 440.534 4.972 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccc(CC)cc2)n(C(C)(C)C)n1 1869999991 AVGGMOBSOHYABN-UHFFFAOYSA-N 425.577 4.572 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)c1ccccc1 1870157112 NIMZOKPCBVDKSX-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE C=CCn1cc(OCc2c(Cl)ccc(Cl)c2Cl)c(=O)cc1CSCCO 1870257763 IWEUCPWBKHQSTN-UHFFFAOYSA-N 434.772 4.799 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(C)Cc1ccccc1 1870348278 QVLIXXPTDJGWSU-UHFFFAOYSA-N 429.564 4.977 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)CC)cn1CCCCCCCC 1870527662 GOBYQCOHTJSSKT-JOCHJYFZSA-N 445.648 4.676 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1cccc(Cl)c1 1871022352 LXBPIFSCHMZUQO-UHFFFAOYSA-N 430.932 4.555 30 10 IJEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(C(=O)OC)c2)[nH]1 1871298743 GDEHVOGBUFYASW-UHFFFAOYSA-N 438.576 4.868 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871393370 HRQBEWSRIZAKOV-NHDPSOOVSA-N 439.895 4.702 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871856353 AJECETWGOAXNMC-QFIPXVFZSA-N 446.588 4.981 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871995147 RXUYMYMQJLIFIG-QFIPXVFZSA-N 428.598 4.823 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(O)cc1O 1874255009 GHPLKSBMFHYUHI-BHGWPJFGSA-N 438.553 4.744 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(CC)cc1 1874273337 FNUFNTARGCZXAY-NZYROCMPSA-N 425.602 4.505 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1c(Cl)cccc1Cl 1874340643 QKOFZVADDPJYPZ-LKYUAURQSA-N 440.400 4.694 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1cc(Br)ccc1O 1874376769 NJFCLCPLIBYXMY-WSDLNYQXSA-N 449.349 4.860 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874380967 UYESTCJEXOQNLQ-PCLIKHOPSA-N 440.544 4.966 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874404291 QJSWAEBTPXEOKX-FSJBWODESA-N 449.363 4.517 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1cccc(Cl)c1 1874414893 OWHTYYAVNRWYSA-CIAFOILYSA-N 434.974 4.511 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(C)cc2)o1 1874417846 QLSUDSUJHLBQAF-MFKUBSTISA-N 446.532 4.731 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1F 1874437622 LISJGRJEPHRJOJ-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1c[nH]c2ccccc12 1874496742 BLMQGVUKQNKOCK-MFKUBSTISA-N 438.601 4.650 30 10 IJEE CCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(F)cc2)cc1 1874500729 WYPBWRXHATWNEG-ZVHZXABRSA-N 428.533 4.917 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1F 1874597546 SGJTYMQIJYMGAR-DHZHZOJOSA-N 435.451 4.757 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc(OC)c1OCCCO 1874632029 HNWVLKBXVHILRY-JLHYYAGUSA-N 440.536 4.878 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2Br)cn1 1875158447 WTUQQSGGAVTQAP-KRXBUXKQSA-N 441.256 4.802 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(OC)c(OC(=O)CC)c(OC)c2)c1 1875171699 JHHMVIYKGHWFDF-PKNBQFBNSA-N 428.481 4.713 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCCSc2ccc(F)cc2)c1 1891235817 ZBWONFQSVKDLHY-UHFFFAOYSA-N 428.573 4.743 30 10 IJEE C#CCCCCCCC(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1905181344 OPJBQJZUVUVWCI-UHFFFAOYSA-N 448.563 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1922069178 OQCOWZBMTNWJCL-TUACAJSNSA-N 440.584 4.585 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1930735846 UQWPXHLWCOLZBF-GFCCVEGCSA-N 433.140 4.864 30 10 IJEE Cc1cc(C#N)ccc1[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951953453 GKQSPRLZSRMCCU-AREMUKBSSA-N 426.472 4.705 30 10 IJEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022144400 JWEHNHJLGDPTEI-VFNWGFHPSA-N 436.557 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccc(Cl)cc1Cl)c1cccs1 2033813245 MCNIXYOCLAKRAK-CYBMUJFWSA-N 438.317 4.689 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1(OC)CCCC1 2052484291 QDFNXZRXSKZWID-PKTZIBPZSA-N 446.632 4.980 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Cl)ccc(Br)c1F 2058343711 CFNGZSQVPKPWDF-BBRMVZONSA-N 433.749 4.809 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1C 2079126951 GYUZBLGGLMMGDJ-FWOHHPOZSA-N 435.309 4.789 30 10 IJEE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(C=NO)c1I 2079959054 YJMZGCQXWNXWAB-OAHLLOKOSA-N 441.313 4.741 30 10 IJEE COc1ccc([C@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)c(C)c1 2080047588 GXCQRAHLLNKLAO-INIZCTEOSA-N 441.313 4.557 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cccc1Br 2116832787 GXTKINNEVYKNNY-WMZOPIPTSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]23CCC[C@]2(C1)CN(c1cc(Br)cc(C#N)c1)C3 2174814153 FCEXEUNXYLMPNW-NHCUHLMSSA-N 432.362 4.548 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1ccc(C#N)c(Br)c1F 2174815434 SXRRRFIQCWKMAQ-LSDHHAIUSA-N 438.341 4.828 30 10 IJEE CN(C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)c1ccc(C#N)cc1 2181056227 RAENBGVBNZACRD-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC[C@]1(C(=O)Nc2cc(Br)ccc2C#N)CCCCN1C(=O)OC(C)(C)C 2181109254 BSAOWRNRYLSOLX-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC(=O)Nc2cc(Br)ccc2C#N)C1 2181147477 SGJYUGHDZQJCOS-XJKSGUPXSA-N 436.350 4.733 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1csc(NC(=O)OC(C)(C)C)n1 2227489935 CTBNCEJGTVLIBA-OAHLLOKOSA-N 436.375 4.955 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2235722214 JXONNZVBGPUSFD-QRQLOZEOSA-N 432.358 4.938 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(C[C@@H](N)C#Cc1ccccc1Br)C(F)(F)F 2235750682 XTJDZXRHECPKTD-KSSFIOAISA-N 449.311 4.611 30 10 IJEE CCN[C@H](C#Cc1ccccc1F)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2255273577 NPXABEZUZVVUGE-FOVJLYNBSA-N 440.559 4.654 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2262198761 BOHNODKLPDJCBA-BWKNWUBXSA-N 447.572 4.657 30 10 IJEE CC1(C)OB(C2CC(C(=O)NCCc3ccc(OCc4ccccc4)cc3)C2)OC1(C)C 2267570643 CPQZJUJFIKKQFF-UHFFFAOYSA-N 435.373 4.797 30 10 IJEE O[C@H](C#Cc1ccccc1Cl)c1ccc(I)c(Br)c1 2277841790 RUDNBJHCEWBIOH-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE C=CCCC1([C@@H](NC)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2281044289 BHLYSNXIFHGJHG-SFHVURJKSA-N 439.394 4.922 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCN[C@H](C(F)(F)F)C1 2294628286 VLLPVALLSPZYDK-WMLDXEAASA-N 448.283 4.767 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C 2296278649 GNZBOHUNFFVWPA-AHRSYUTCSA-N 437.422 4.964 30 10 IJEE COc1ccc(C=C2SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)cc1OC 2314547900 MROQAUNJSZBGBW-UHFFFAOYSA-N 438.534 4.672 30 10 IJEE CN(C(=O)OC(C)(C)C)C1CC(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317353722 JWANXUNUSJYHAB-VAWYXSNFSA-N 430.354 4.503 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN(CCc1ccccc1)CO2 2321937320 XZSGOFOVDUKOBQ-UHFFFAOYSA-N 442.471 4.914 30 10 IJEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc1c2CN(CCCn2ccnc2)CO1 2322106833 APHWWPKCZSKXSH-UHFFFAOYSA-N 439.874 4.534 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccccc2Cl)cc1OC 2322234825 GRGDOMXIDLBDTB-UHFFFAOYSA-N 446.960 4.521 30 10 IJEE CCCOc1c(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Br)cc1OC 2322680067 BMEUUGDQUYVCTL-UHFFFAOYSA-N 433.298 4.914 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)c1 2322884593 CWTUBQZTAIMQQA-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)c1 2323069048 IWFYPYRTUNVXDA-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)cc1OC 2323222580 QCNRJFQJLPKRLS-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2325452203 BQADOPVQUNJDBO-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2325736360 KNQCXWHESXYPGC-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(OC)cc1 2326826010 RQKTVIIWTUILFB-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1cccc(OC)c1OCC 2329352626 FQYICYZOFGUTRV-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)Nc4ccc(C#N)cc4)ccc3C2=O)c2ccccc21 2329978002 MNZYCWGADINLJT-UHFFFAOYSA-N 449.466 4.684 30 10 IJEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2331165670 NFTQKYIHWIDIRH-UHFFFAOYSA-N 435.465 4.635 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1Cl 2331695747 LZQKMIABVUYMEZ-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CCc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1 2332197218 APDIDMABAYLUDH-UHFFFAOYSA-N 449.514 4.932 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]1C(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587916 AOEJKBOYFMCCPN-QIXNEVBVSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339589869 DIHOKSFYONDYFI-WKWPXIAWSA-N 443.397 4.974 30 10 IJEE COCC(C)(C)N(Cc1ccccc1)Cc1ccc(C#CCCO)c(Br)c1 2377428613 FIVDJUFIEYDSDR-UHFFFAOYSA-N 430.386 4.610 30 10 IJEE C=CCn1c(SCC(=O)NC(C)(C)CC)nc2sc(-c3ccccc3)cc2c1=O 18352378 YXVOPEKTQKZGNV-UHFFFAOYSA-N 427.595 4.708 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)cc1 20905425 JXVRYLIMGCGWHC-BUVRLJJBSA-N 430.537 4.833 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)Nc1ccccc1 21076890 KDFJBTZQHYFZLC-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE CN1CCN([C@@H]2/C(=N\C3CCCCC3)N(c3ccccc3Cl)C(=S)C2(C)C)CC1 22938510 PHFWHRMVACZCDR-YXQDFNCHSA-N 433.065 4.861 30 10 IJEE C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 36306492 PKVUGGAUXLHVNB-QHCPKHFHSA-N 449.595 4.963 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 41358241 UNKMMWSCMLIKKG-UUYOSTAYSA-N 445.427 4.676 30 10 IJEE CCCCCCCn1cnc2sc(C(=O)OCCOc3ccccc3)c(C)c2c1=O 103703774 CPLRKZAHXUMAPQ-UHFFFAOYSA-N 428.554 4.973 30 10 IJEE COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/c1ccccc1C 105758194 IOQNREOOOIMXAI-FOFUNRBPSA-N 445.972 4.564 30 10 IJEE N#Cc1cc(NC(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F 107567823 QUXMPDFYHUVWCK-KXFIGUGUSA-N 425.750 4.713 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)ccc1OCc1ccccc1 169906520 ACYAERXXPFJTCV-PCLIKHOPSA-N 438.549 4.594 30 10 IJEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1[N+](=O)[O-] 169943493 NXGYDTMTLHUTSY-NHDPSOOVSA-N 425.470 4.521 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)s1 170009696 ZRVCUIJKVWARIE-SFHVURJKSA-N 439.924 4.900 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)cc1 170063605 UGVIZFFAMDBHBF-HSZRJFAPSA-N 442.446 4.879 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2F)c1 170071280 DDFBZJUUAOPNHX-HSZRJFAPSA-N 442.446 4.879 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)s1 170174120 HNXZNRLDDVDMAA-QGZVFWFLSA-N 425.897 4.591 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccn1)c1c[nH]c2ccccc12 170176805 YBAHOJVBOFHBCZ-OAQYLSRUSA-N 431.398 4.624 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1 170204787 FEUWEUOPQORKHO-JOCHJYFZSA-N 426.428 4.619 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)cc1 170205572 OYXBHVHOKFFDLG-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(O)c(Cl)c1 170219953 LTFABJODVIYCDK-SFHVURJKSA-N 436.291 4.696 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2)cc1 170224794 ASTIUHUIQOOTLQ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)c1 170258403 YRMRZZADBZAGAG-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1 170284684 SEKNEPFVWDPCNT-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C[C@@H]1CCCO1 170315842 PFMXTKQNYFUOOI-FPOVZHCZSA-N 437.561 4.693 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1 170375568 XSPCWPNMQSJLFJ-NRFANRHFSA-N 434.879 4.917 30 10 IJEE C=CCN(C(=O)c1cc(Cl)cc(Br)c1F)c1nc(C(=O)OCC)cs1 435525360 JHFBBMRCFXERGL-UHFFFAOYSA-N 447.713 4.708 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1cc(CC)nc(-c2ccccn2)n1 481827071 ZMNVRDWNZYWALO-UHFFFAOYSA-N 430.537 4.609 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1c(C)n(C)c2ccccc12 551467073 QUVIRTUEMVVNMH-UHFFFAOYSA-N 432.505 4.655 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)C(F)(F)F)nnc1-c1ccc(Cl)cc1 554744864 XOPZASOZWUQUIS-UHFFFAOYSA-N 432.899 4.581 30 10 IJEE Cc1ccccc1[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 555182730 BBRKPAZFZXORML-VWLOTQADSA-N 435.531 4.751 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CC=C(c2cccc(Br)c2)CC1 584379839 WEWJSLUOCYBMGN-UHFFFAOYSA-N 436.357 4.506 30 10 IJEE N#Cc1c(NC(=O)C[S@@](=O)Cc2c(Cl)cccc2Cl)sc2c1CCCC2 586348500 MRRKAMUUPXXWNT-SANMLTNESA-N 427.378 4.693 30 10 IJEE C[C@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 588705154 DZTPVQWEDQCTPZ-FDDCHVKYSA-N 440.503 4.684 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)c1 621327847 KBTBDGAECHGQKW-HXUWFJFHSA-N 434.561 4.555 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 710404748 NMILNVNNVWITGT-LSYYVWMOSA-N 447.623 4.576 30 10 IJEE C=CCC1([C@H](Cc2cc(F)ccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 722906394 POJCCYBHZSHYEP-KRWDZBQOSA-N 427.358 4.532 30 10 IJEE COc1ccc(/C=C(\C)C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1F 755042542 RSICQGGLRPIVMV-STTHAQSSSA-N 442.512 4.814 30 10 IJEE C#CCN(Cc1nnc(-c2cc(C)oc2C)o1)[C@@H]1CCOc2ccc(Br)cc21 760840793 PBZFBJZAZBXZFS-GOSISDBHSA-N 442.313 4.668 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)CCc1ccc(C#N)cc1 781659723 RLPGIZQVYCFLBW-UHFFFAOYSA-N 443.341 4.832 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(Cl)cc1Cl 787051292 HRCDGEXJJQAEDM-JWSRLSBWSA-N 437.273 4.961 30 10 IJEE C#CCN(C(=O)c1coc(C2CCCC2)n1)[C@H]1CCOc2ccc(Br)cc21 800889882 UERXOSKSLKTDNC-SFHVURJKSA-N 429.314 4.694 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](Cc1ccccc1)OC)c1ccc2c(c1)OCO2 1124212167 HXWDAVVBPNGGCK-AREMUKBSSA-N 445.515 4.771 30 10 IJEE C=CCOc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 1136388815 DYQQZBWGQXKCAB-DEOSSOPVSA-N 430.504 4.728 30 10 IJEE Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)c1 1147577868 CWRGUJDMEAJDEC-CLJLJLNGSA-N 437.543 4.837 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 1159778348 KSNADYVSUUXVQU-NRFANRHFSA-N 430.504 4.754 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(c3ccccc3)CC2)n(Cc2ccccc2)c1C 1166996350 CAYXJEZJEJFSDC-UHFFFAOYSA-N 426.564 4.843 30 10 IJEE COc1ccc2c(c1)CN(C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C1CCCCC1)C2 1167666921 BZPDDAZSRYCICV-IGKIAQTJSA-N 434.580 4.508 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)c1ccccc1 1176188557 TZPHKAULHQKTLC-UXHICEINSA-N 438.572 4.962 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C 1176250606 RJRRCRRCTLNXSR-UHFFFAOYSA-N 430.467 4.693 30 10 IJEE CC(=O)c1cc(F)c(O)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 1178433202 NOSHDCSEYMJLDG-UHFFFAOYSA-N 429.879 4.504 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3F)ccc2c1=O 1182958744 DAOOXKKODWULHO-FQEVSTJZSA-N 441.503 4.517 30 10 IJEE C=CCn1c(SC[C@@H]2CN(CC)C(=O)O2)nc2sc(-c3ccccc3)c(C)c2c1=O 1188538744 HCEAJNZDGBRSRZ-INIZCTEOSA-N 441.578 4.552 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F 1190189174 RXCPDMXAYLSRGZ-JOCHJYFZSA-N 429.900 4.711 30 10 IJEE C#CCN(CC(=O)Nc1cc(Cl)ccc1C)[C@@H]1CCOc2ccc(Br)cc21 1191040432 XBRUKVPJDOTBEZ-LJQANCHMSA-N 447.760 4.808 30 10 IJEE Cc1cc(NC(=O)NCC2(c3ccc(Br)cc3)CCCCC2)nn1CCC#N 1202819004 FPHKESSVTIYEQF-UHFFFAOYSA-N 444.377 4.891 30 10 IJEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F)[C@H]1CCCc2ccccc21 1205403690 MPVSMZSBQKHKSE-QFIPXVFZSA-N 443.544 4.522 30 10 IJEE C=C(C)CS(=O)(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1209673596 NMTCPDAADBKYFW-IBGZPJMESA-N 438.387 4.975 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1 1214291856 GKMBKRUVMYOAPT-JOCHJYFZSA-N 429.586 4.935 30 10 IJEE C=CCC[C@@H](NC(=O)NCC1CCC(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 1224644003 WGQZJICHHCDQFB-XUJQIHCRSA-N 446.535 4.615 30 10 IJEE C#CCC1(C(=O)Nc2ccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)cc2)CCCCC1 1264298128 HQBMHXDFCGRYBA-UHFFFAOYSA-N 447.457 4.980 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1264591706 ICUFKIHXDWTEOK-NTKDMRAZSA-N 429.589 4.714 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1csc(CC)n1 1286369010 YYKSKXVWJCMVDD-UHFFFAOYSA-N 437.569 4.949 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CCC 1286546337 IMAFUQUCDCJMJH-SJBKTWHCSA-N 439.604 4.753 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1286597345 JTENNLALCYODCC-HSZRJFAPSA-N 437.632 4.690 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CC(C)C)C1 1286605112 RRCOSTWGKCPSKA-INIZCTEOSA-N 436.398 4.501 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCO1 1286745222 ULFOUUQTTJVTQB-DNVJHFABSA-N 438.616 4.958 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](OCCC)CC1 1286796495 TUTUYYQBLQRBHF-JOCHJYFZSA-N 449.599 4.682 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCc2ccccc2C(F)(F)F)C1 1286810358 PUIFKTCXZNQHMG-IBGZPJMESA-N 434.506 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC1CCC(OC)CC1 1300293628 RDAKRHLFMFGERT-AOCRQIFASA-N 445.405 4.761 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H]1CC 1300362549 QXPDXGRMCMRHPJ-CTNGQTDRSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc(C)s1 1300522728 MPJQNBAMHBDOAN-UHFFFAOYSA-N 432.593 4.861 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CCCS1 1300609872 YOVCXCSLMCDTLC-IBGZPJMESA-N 437.382 4.592 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1C(F)(F)C12CCC2 1300612315 YNTMQLCPKHZLQX-KRWDZBQOSA-N 449.343 4.911 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)CC(C)(C)C1 1300848284 CGCVGJGKWRBOBC-KSSFIOAISA-N 447.377 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1c(C)noc1C 1300879733 FHBRANXXQDWJSQ-UWJYYQICSA-N 441.963 4.821 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1300956553 AREVNLWTKIYSNF-KRWDZBQOSA-N 429.977 4.521 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1301165892 MDKAQFRPXFCTEZ-QFIPXVFZSA-N 437.632 4.531 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1F)C1CC1 1301317163 RSWNIJQGRBFDFD-UHFFFAOYSA-N 430.325 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCC1(O)CCC1 1301360176 WNDBSZVPDDUNLV-UHFFFAOYSA-N 429.977 4.553 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Br)cc(N2CCCC2)c1 1351789982 VFRMJRNKPDNNMN-UHFFFAOYSA-N 449.352 4.798 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1352156301 WHEBHZPOAYQCSB-UHFFFAOYSA-N 430.545 4.784 30 10 IJEE CCc1c(C)sc(NC(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)c1C#N 1352441734 GFOJNNGRJLSSEQ-LJQANCHMSA-N 443.569 4.574 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 1354387543 GBNSRXRWUVEWDH-HXUWFJFHSA-N 445.469 4.731 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCSC1 1358872855 ZKORYVXOOYCXJJ-RCCFBDPRSA-N 433.021 4.899 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CCO[C@@H]1C1CC1 1359004395 VBXNSPDLFCHSRS-KNQAVFIVSA-N 433.383 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1359069577 PULPFCLFSLUADY-JVFUWBCBSA-N 441.620 4.573 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCCN1CCC 1359073688 AFEBAOPMJYPZMH-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1359084126 YNWHANNIJOCEPX-RTBURBONSA-N 431.378 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCOC)CC1CC1 1359094435 AZMOMVFHIGOWSJ-UTKZUKDTSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccc(C)o1 1359104086 XSGQEJTUJJGFQD-RCZVLFRGSA-N 434.584 4.972 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)=C(Br)C1 1359155567 CGDXLYYZSIRJGO-UHFFFAOYSA-N 441.732 4.628 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1359163561 JSOMLCMCPJBGRN-UHFFFAOYSA-N 429.446 4.572 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1359178555 VBJABFPVCVYVBX-OFNKIYASSA-N 437.632 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(C)c2)CC1 1359186981 YPNJOZYEETZERU-UHFFFAOYSA-N 432.616 4.517 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](N2CCCC2=O)C1 1359199995 PAQHEXSIUGGRNS-KRWDZBQOSA-N 448.398 4.809 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359206747 ODRQPRJRNBFMBT-WTGUMLROSA-N 431.625 4.887 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ncc(CC)s1 1359209554 QUDGJPFXMSAKLY-UHFFFAOYSA-N 433.585 4.957 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC(OC)CC1)C1CC1 1359249011 KTCHKZSAFMLWEQ-UHFFFAOYSA-N 444.023 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)COC 1359267955 YIDJVHVYEHGTKV-UHFFFAOYSA-N 437.357 4.698 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359309345 PDIYKWLNXLSWLI-UNMCSNQZSA-N 434.588 4.751 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)Nc1nc2cc(C)ccc2n1-c1ccc(C)cc1 1444804418 ASYJRNQPKGOMHT-UHFFFAOYSA-N 426.476 4.540 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 1445360451 SJURMCSSGLWYDO-SFHVURJKSA-N 449.910 4.774 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccccc1OCc1ccc(Br)cc1)C(=O)OCC 1449691998 GQRSFEDTSUETTM-LJQANCHMSA-N 446.341 4.656 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCCc1ccc2c(c1)OC(F)(F)O2 1458824449 DXNHOUGFTYYKJZ-UHFFFAOYSA-N 449.454 4.839 30 10 IJEE C=CCC[C@H](C(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1459763633 IZNNTGSPJHJXGI-QFIPXVFZSA-N 428.532 4.581 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)cc1C#N 1460242375 CKTCFOAFGBZWGQ-UHFFFAOYSA-N 427.298 4.913 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccccc2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1461892749 OPKHLEPCXXXGKP-RUZDIDTESA-N 444.572 4.604 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 1462333359 MZJWPBZVKUHPIG-UHFFFAOYSA-N 437.700 4.999 30 10 IJEE C=CCC(C)(C)C(=O)N1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1462976653 NFUZXFMQWINQSS-OALUTQOASA-N 428.573 4.745 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2I)c1 1463256205 FKGBBAJVYJOVOW-UHFFFAOYSA-N 429.261 4.762 30 10 IJEE C=C[C@H](CC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1465423618 WPHWICOGYLBEEJ-KUHUBIRLSA-N 431.376 4.931 30 10 IJEE COC1(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCCC1 1466454390 HAQUPTBXGAQACL-UHFFFAOYSA-N 438.475 4.705 30 10 IJEE C#CCN(C(=O)Nc1cc(C(F)F)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1467006951 DTCJGVNCFKDBKA-UHFFFAOYSA-N 425.451 4.630 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1468596426 HYHUALXYFGVQCH-RPBOFIJWSA-N 444.575 4.954 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2cnn(-c3ccccn3)c2N)cc1 1469096780 HHHHOIYGSMIYAG-UHFFFAOYSA-N 446.923 4.778 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CC2(O)CCCCC2)cc1 1476041989 VHOGXUPWJIWRSQ-HSZRJFAPSA-N 439.600 4.973 30 10 IJEE CCC(C)(C)c1ccc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1476538437 DSJNPGWQKGTDIF-UHFFFAOYSA-N 442.567 4.990 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C 1477704991 AUPBBFKJMUTHHG-UHFFFAOYSA-N 439.556 4.931 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(Cc2ncc(C(=O)OC)s2)CC1)c1ccccc1 1479191589 ZNWCSYMAFQFRHY-HXUWFJFHSA-N 441.597 4.991 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1507566736 ISQCBWSQZMJWLM-UHFFFAOYSA-N 436.526 4.727 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1507576664 LRVWYYXNJOXIKQ-HXUWFJFHSA-N 447.549 4.631 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CC(C)(C)C(F)(F)F 1507701271 BLVQAOOVOZJWGS-UHFFFAOYSA-N 445.464 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@@H](OC)[C@@H](C)CC 1507772565 RLRCHIOBKNFIPC-MFSJNOQSSA-N 442.629 4.632 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1507911453 HFLLCGWPZNHAEY-UHFFFAOYSA-N 443.599 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1507919241 MZHQCBDGPRFBHA-FQEVSTJZSA-N 442.579 4.851 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1507933192 HVXJLEJDDSSXEE-UHFFFAOYSA-N 438.551 4.614 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2OCCC[C@H]2C1 1507940197 XWETYAWIVCARKI-HNAYVOBHSA-N 449.368 4.818 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(F)F)C1 1507959523 NBBZYVUJRIDVRU-SFHVURJKSA-N 427.499 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2(C)CCC2)C1 1508113475 YSJVEEACULSITI-MRXNPFEDSA-N 431.378 4.679 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C)c1ccsc1 1515522661 FRCMKTFTIRITQY-XMSQKQJNSA-N 434.613 4.950 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)ccc1F 1519487680 VOSLQKDCYIXRFK-UHFFFAOYSA-N 446.544 4.501 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(CC)[C@@H](c3ccccc3)c3ccc(F)cc3)cc2C1=O 1521037817 ASQSQMGGWPWDIK-DEOSSOPVSA-N 442.490 4.859 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnn1C(C)C)c1ccc2c(c1)OCCO2 1524357832 IVPHHHVWNHGXGE-UHFFFAOYSA-N 433.508 4.647 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccc(C)s3)cs2)CCCN1C(=O)OC(C)(C)C 1525256692 BSOGVWVDNGESKU-NRFANRHFSA-N 431.583 4.912 30 10 IJEE C#CCOc1cccc(OC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 1530391302 CEZIUOIMFAPUGP-UHFFFAOYSA-N 425.440 4.845 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(C#N)c1)c1cccc(C(F)(F)F)c1 1532509981 AJLKKQUADYRUSD-GOSISDBHSA-N 444.413 4.653 30 10 IJEE C=CCC[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 1534435220 SBJVLULNINTNBL-SFHVURJKSA-N 432.442 4.645 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CC(OC(C)(C)C)C1 1538982378 FBOMQXFGQCZPCB-ZRZPHAQCSA-N 446.542 4.988 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CCN(C2CC2)CC1 1539030533 RTOJIBZOMIDRSU-OAQYLSRUSA-N 449.643 4.621 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1539097827 XMFRQRYGDXBYMI-JOCHJYFZSA-N 442.991 4.566 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1539132866 CMBBFGLQPQJIGS-DENIHFKCSA-N 447.410 4.907 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc3c(Br)cccc23)CC1 1539378810 BYUSWFATSMGTFK-JOCHJYFZSA-N 434.337 4.625 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1ccc(OC(C)(C)C)nc1 1539389876 FWXRZCBUWWISDV-UHFFFAOYSA-N 447.558 4.945 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(c2nccs2)CC1 1539691031 FMFFUYYXXCMJSC-UHFFFAOYSA-N 436.629 4.992 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC(C)C)C1 1539823663 HOIBMARNCGEEFV-MSOLQXFVSA-N 438.016 4.975 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1539894136 AOZIEKYXQSJECD-NTKDMRAZSA-N 427.662 4.843 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 1539948112 OGKCICKDHQTMQB-JTHBVZDNSA-N 437.632 4.530 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@]1(C)OCCc2sccc21 1540088594 NUQWLDWHMCZXGD-XMMPIXPASA-N 438.597 4.591 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)C(C)C 1540139524 AGINQTVBYSRKGZ-NRFANRHFSA-N 431.993 4.655 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H](OC)c1ccccc1 1540140668 RDRKVPPYOPDPFX-QFIPXVFZSA-N 431.565 4.982 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H]1CCCCO1 1540191996 UBPMBRIDEBLAOW-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCC[C@@H]2C)C1 1540885187 DBGJDHSZAIQPTO-REWPJTCUSA-N 437.632 4.508 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCCCC1 1541803094 CEUFSIMQBGAKMJ-SFHVURJKSA-N 444.624 4.711 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc1OC 1544182145 RVFVPYFYADVGFF-LUAWRHEFSA-N 441.531 4.870 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nnc(C)s1 1544983319 SVXUPBZRUXXISM-OAQYLSRUSA-N 448.548 4.659 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1546118981 QZNYWDKQSPLUGN-HNNXBMFYSA-N 426.479 4.566 30 10 IJEE COC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1554568836 CQJQAUBAHMJYQE-ZHRRBRCNSA-N 431.968 4.627 30 10 IJEE C#CCOc1ccccc1NC(=O)CCc1cc(Br)c(Br)s1 1556242979 DEHWZDCLVMKDBM-UHFFFAOYSA-N 443.160 4.856 30 10 IJEE C=C[C@H](Sc1nnc(COc2ccccc2F)n1[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)OC 1559307317 BSLAHRIVKGQRRW-ZTTBQOKTSA-N 445.560 4.813 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c(C)c1 1561267707 HZRTUEAFZLZSKS-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)CC2)cc1 1562256085 AIXUBXQOZAFSRB-UHFFFAOYSA-N 430.552 4.525 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 1564226828 AMBVNNPZGIMGBP-IBGZPJMESA-N 431.458 4.599 30 10 IJEE C#C[C@@H](NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1)c1ccc(Br)cc1 1564999658 NBZMJCVPECLUHT-LJQANCHMSA-N 442.744 4.957 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1 1565078152 YNPQPBZBMJGULG-GOTSBHOMSA-N 427.976 4.942 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)C(C)C 1565608331 ZTYUEPZWBRXUAH-OAQYLSRUSA-N 434.506 4.628 30 10 IJEE C=CCC[C@@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1)c1ccccc1 1566621696 ZKYKVZBBGPCMQE-HXUWFJFHSA-N 435.549 4.776 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(N[C@H](C)c2cc(Cl)ccc2Cl)c(C)c1)C(=O)OC 1570221889 ZTRXCBIUGHSBRW-VLIAUNLRSA-N 433.335 4.770 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)nc1 1583722737 CKOYGGUNGDINTO-LJQANCHMSA-N 441.491 4.628 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1583929598 AZYMFYMDTDCWMM-JOCHJYFZSA-N 442.600 4.870 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)CCCN1C(=O)OC(C)(C)C 1585175987 CSKZNGMXSFUYTL-HSZRJFAPSA-N 440.569 4.927 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1C1CC1 1587667812 NFMZEMRMXDVGRC-REWPJTCUSA-N 449.643 4.629 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C1CCC(NC(C)=O)CC1 1587827757 XRNVFWMCGAZKOC-UHFFFAOYSA-N 448.398 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1589223622 PUEPLIRNKOLSSO-VAPDBKPJSA-N 438.591 4.841 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1589295089 CKJWKAKXAKFGPR-SECBINFHSA-N 438.317 4.812 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cscn1 1593712357 ZYLRNJZZORCDSV-UHFFFAOYSA-N 425.602 4.928 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1594728178 XRZHWVJJXOYACK-WOJBJXKFSA-N 448.514 4.665 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1594760207 FOXCTTUVZJLWJC-UHFFFAOYSA-N 432.494 4.761 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C)=C(Br)C1 1594767653 WVPXORNIAUBVBE-UHFFFAOYSA-N 435.341 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@](C)(O)C1CCCCC1 1594929669 NPHLYKCKADYDKG-NRFANRHFSA-N 433.394 4.661 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(Cl)c(OCC)c(OC)c1)C1CC1 1595055077 YOPIAKJNWOHXDC-IBGZPJMESA-N 446.979 4.784 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@H](c1cccs1)N(C)C 1595094041 LBGGGJXWWBWSLG-NRFANRHFSA-N 432.597 4.584 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](CC)Oc2ccccc2F)C1 1595723173 SMEOGMZGCLNZHR-WOJBJXKFSA-N 428.552 4.714 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1595896108 UYWAITQKWZUBEE-GOSISDBHSA-N 429.615 4.796 30 10 IJEE C=C[C@H](CC(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1596042906 AUBIFDOZDQSBLF-FYYLOGMGSA-N 442.600 4.611 30 10 IJEE C=CCn1c(SCC(=O)N(CC(C)C)CC(C)C)nc2sc3c(c2c1=O)CCCC3 1613283631 IPTUGRJIBIFRCZ-UHFFFAOYSA-N 447.670 4.756 30 10 IJEE Cc1nc2ccccc2nc1SCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1613466870 CGPCMCVYHMZPSD-UHFFFAOYSA-N 427.533 4.948 30 10 IJEE C[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CN1Cc1ccccc1 1631343579 FHUUFKWGMWHFNE-NBGIEHNGSA-N 425.532 4.530 30 10 IJEE C=CC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C)c1ccncc1 1633820074 ANDGPTXVMSJUGM-IBGZPJMESA-N 425.330 4.694 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC(Cc2nc(-c3cccc(C)n3)no2)CC1)c1ccccc1 1634487792 UKNBZJKRQDMPCP-JOCHJYFZSA-N 430.552 4.971 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 1634575438 YEWPHTPEYLUHGG-PCCBWWKXSA-N 430.589 4.736 30 10 IJEE Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1639556074 GWZMYMMODZCZTL-UHFFFAOYSA-N 434.927 4.570 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2Cc3ccccc3[C@@H]2OC)cc1OCC 1651226779 BMHIDKDGEZONRG-CTNGQTDRSA-N 432.358 4.815 30 10 IJEE C#Cc1cccc(N(CCCS(=O)(=O)c2ccccc2OC)Cc2cccs2)c1 1657706740 GZQWEEFGEZYINP-UHFFFAOYSA-N 425.575 4.609 30 10 IJEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNC1CCN(c2ccccc2C#N)CC1 1658394018 FCPHNSHVNFBSSP-UHFFFAOYSA-N 433.987 4.832 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)C(C)(C)C 1658830768 RARHASKVOMYWES-BEFAXECRSA-N 429.952 4.522 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)cc1OC 1659390847 VWAJOXBUILUURS-LJQANCHMSA-N 432.992 4.528 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1660905100 KCOWHYXDUZHNAC-NRFANRHFSA-N 426.442 4.573 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 1661194695 MKJOMWSMIOGMKE-UHFFFAOYSA-N 448.304 4.887 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Br)c(OC(C)C)c1 1664024621 KAEOXDHTIFTARM-UHFFFAOYSA-N 437.334 4.932 30 10 IJEE N#Cc1cc(F)cc(NC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 1664071900 DTFCKZMGXJIIDG-HXUWFJFHSA-N 439.288 4.960 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Nc3cccc(OC)c3)cn2)cc1 1673106862 XEVZXLJQCMTNGB-UHFFFAOYSA-N 432.484 4.785 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(Cl)c1 1673380610 DBLCABLDMNARSP-UHFFFAOYSA-N 434.298 4.996 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCCC)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1673452307 NMVLEEQYQNIZCX-UHFFFAOYSA-N 429.561 4.650 30 10 IJEE CC[C@H](C)c1ccc([C@H](NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c2cccs2)cc1 1676778408 AXPJUHRQEONLIB-UWJYYQICSA-N 439.581 4.839 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1678882980 HOGDCXCIPUDFIH-JOCHJYFZSA-N 447.501 4.999 30 10 IJEE C#CC[C@@H](NC(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccccc1 1680515885 VFAORCDYTJLEAX-NOZRDPDXSA-N 432.495 4.996 30 10 IJEE C=CC[C@H](CC)NC(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1 1680634501 HXAUQURRMMNRRE-HKUYNNGSSA-N 426.342 4.753 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)CCCS1 1690089469 BLJLUUZVCXOLRR-XMMPIXPASA-N 435.572 4.713 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(Cc2cccs2)CC1 1690279354 CTGUNKOJGIEQTN-UHFFFAOYSA-N 431.968 4.697 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690280519 VQCFMTQKLALTEF-PMACEKPBSA-N 441.620 4.628 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1690363968 GHMCEEJALOTYIC-NQIIRXRSSA-N 439.535 4.610 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690428231 JMQQGGGACNNJQL-OAQYLSRUSA-N 434.588 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690440155 ZQURAVLIUORKPS-VQTJNVASSA-N 444.645 4.721 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690449891 UILKSMZNQDTXKA-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C2CC2)C1 1690463008 SYGXYOKSPDYOJR-SFTDATJTSA-N 443.636 4.985 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CCCS1 1692825675 HXYHBEXVABCGCO-IMRHEYAYSA-N 443.592 4.973 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC1(F)F 1695717016 CNIANEZXMPVUBJ-WOJBJXKFSA-N 429.515 4.648 30 10 IJEE COC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1697226135 GVGLRWQNJNWVJK-INIZCTEOSA-N 446.393 4.653 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(OCc2ccccc2)CC1 1705519721 UMSCTOUBLHOGLU-UHFFFAOYSA-N 449.624 4.623 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1705608398 PVYWKPVLYCHTIN-JTHBVZDNSA-N 449.986 4.929 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1705765549 RBWYHLFDENQEEC-ROUUACIJSA-N 445.405 4.988 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1705813504 JUNAJPYZUKLKFV-NRFANRHFSA-N 444.377 4.812 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(C)(C)OC[C@@H]1C 1705824978 FYJOJRMDCJLHIN-PZJWPPBQSA-N 442.604 4.631 30 10 IJEE C=CCN(c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[S@@](=O)CC)C1CC1 1705849939 AGNKAYOXPLWPFD-PMERELPUSA-N 444.601 4.736 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1705858840 XOFTYWGGELDZKX-UHFFFAOYSA-N 448.596 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](C)c1ncc(C)s1 1705866389 OSRMVEZYSMSUEC-HNNXBMFYSA-N 437.598 4.558 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCCc1nc2c(s1)CCCC2 1705873321 DUXRVQYATFEIGF-UHFFFAOYSA-N 434.613 4.795 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H]2CSC)cc1 1705912040 XLUYIQYZAOHVID-HXUWFJFHSA-N 435.597 4.593 30 10 IJEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1ccc(Cl)s1 1706320992 HQWJWLCCSBOBTD-SFHVURJKSA-N 427.961 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCc1ccc(OC(F)(F)F)cc1 1722399517 UXQROWGCTOLFQY-UHFFFAOYSA-N 444.501 4.615 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccco1 1722461270 QBZBOWBIZUXSDL-LJQANCHMSA-N 426.973 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCCN1CCC 1722476398 TWXAFOFYVKBAKX-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CCN(CCC)C(=O)OC(C)(C)C 1722513389 XCAMHOCEMRAAPG-UHFFFAOYSA-N 427.593 4.995 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2sccc2C1 1722523395 RLFOJVZNBTUMPY-UHFFFAOYSA-N 443.617 4.593 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722553848 CRRNQKSNHSHCJM-WMZOPIPTSA-N 438.016 4.503 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1722607971 PFYKBRGXLWTNSG-YADHBBJMSA-N 428.552 4.575 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1oc(CC)nc1C 1722655824 LCCYHZCRWNFVNX-UHFFFAOYSA-N 444.583 4.982 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCc1c(C)noc1C 1722656487 WKINQRGFNXQIJU-UHFFFAOYSA-N 444.583 4.923 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1Cc1cnccc1OC 1722662945 OWEUCONDXACABL-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1F 1740650411 ZLJAOHOXIVWWKH-GOSISDBHSA-N 432.568 4.782 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2Cc2oc(CCC)nc2C)CC1 1740839656 LJRHQVZRSYJGKM-UHFFFAOYSA-N 435.572 4.577 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCCCC2)CC1 1740860674 MDCUCKLEULGNQL-UHFFFAOYSA-N 429.012 4.805 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCC([C@@H]3CCOC3)CC2)nnc1C(C)(C)C)C(C)C 1740926799 LDTFSGDNIBENNT-DHIUTWEWSA-N 443.680 4.527 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)Cc1cccc(Br)c1 1749038688 WYIBEYIIDSORMN-UHFFFAOYSA-N 435.435 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1c[nH]c2cccc(C)c12 1749166245 YASNBYVWPFENIG-UHFFFAOYSA-N 431.588 4.575 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](C)C1 1749387197 UHVGXBRSUDJTJS-SFHVURJKSA-N 429.996 4.844 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](OCC=C)C1 1749396335 ZXOZXWWQEZWKOG-KRWDZBQOSA-N 431.378 4.845 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2cncn2)CC1 1749411889 HKPXTWZVYAOESN-NRFANRHFSA-N 449.603 4.509 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1749437474 IETALNMXQAMWAS-QGZVFWFLSA-N 434.878 4.997 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(C)(F)F)c1)C1CC1 1749521077 GXFRDSPRHAUMLJ-UHFFFAOYSA-N 429.540 4.949 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCCC[C@H](SC)C2)cc1 1749683900 JTHXYCYAHSIASB-NRFANRHFSA-N 437.613 4.619 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1ccsc1)N(C)C 1760100508 BWBKFFRRXCXRNN-FDDCHVKYSA-N 444.608 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC)(CC)C1 1760325285 QCSRRNPNXVYEMU-CVDCTZTESA-N 442.579 4.994 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1760371263 UHKLWNYKUBPXRE-GOSISDBHSA-N 430.339 4.542 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1760387732 UMZIRXSHXAUEJA-LJQANCHMSA-N 448.514 4.725 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC2(CCOC)CCCC2)CC1 1760403378 PSCCRNMQCJCBSJ-UHFFFAOYSA-N 438.616 4.877 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1scnc1C)c1ccccc1 1760417557 FKMWPRGZYDNLGY-LEWJYISDSA-N 437.613 4.933 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC1CCC(OC)CC1 1760482451 HQBRYEYZYMVNLS-UHFFFAOYSA-N 431.584 4.662 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760507392 CQEFCSDXCKZSMK-GOEBONIOSA-N 440.535 4.865 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C)CCCC2)C1 1760536457 BQWUBLSMJPLCHM-SFHVURJKSA-N 430.980 4.969 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1760562399 IHMGMJYJYJIBEB-UHFFFAOYSA-N 427.524 4.707 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCSC(C)C 1762663195 BAIFMMSNTWTMMD-QHCPKHFHSA-N 427.618 4.691 30 10 IJEE CCOC1(Cn2c([C@@H](C)CC)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)CCCC1 1765935529 DPALCUXNRQGVFL-UGKGYDQZSA-N 437.588 4.590 30 10 IJEE CC(C)Oc1ccc(-c2nn(-c3ccc(C(C)(C)C)cc3)cc2/C=N\NC(N)=S)cc1 1857806772 KCQVOGBBELQFNT-WGARJPEWSA-N 435.597 4.791 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)COc1cccnc1NC(=O)Nc1ccccc1C#N 1858825092 AAXMOCLNFOWPMS-UHFFFAOYSA-N 435.871 4.577 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1cn(C(C)C)c2ccccc12)NC(=O)OC(C)(C)C 1860334948 YJAIOGKRCYCFHQ-NRFANRHFSA-N 425.573 4.859 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862416608 IAIMFBLUWKBFAZ-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862436098 LPCLTVHTXZOJJI-IBGZPJMESA-N 428.872 4.873 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(F)cccc1Cl 1862461094 XIPRZTJKXOQURU-KRWDZBQOSA-N 427.781 4.885 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(F)cc1F 1862491639 XVBMDDLLYKPDEV-OAQYLSRUSA-N 429.463 4.587 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862511827 QWBOPXABWCBECG-LHSJRXKWSA-N 427.472 4.615 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2c(Cl)cccc2Cl)cc1 1862538494 IHLOSVFDBKBXRR-BLVKFPJESA-N 434.319 4.515 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862557368 LAYOJYWVMGGXHE-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1c(Cl)cccc1Cl 1862611375 JZKMHTRJPHHJFV-LJQANCHMSA-N 448.302 4.753 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1 1862662704 KRIMTVZZYFEQPU-HSZRJFAPSA-N 438.543 4.869 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(OC)c2)c1 1862703842 YYROQMZFHBNGFM-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862988669 ZXKPBLSEQRTOLJ-UHFFFAOYSA-N 448.482 4.614 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCCOCC)C1=O 1863699153 UWBHKNPNKFPSDT-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](C)C(=O)Nc1cccc(C#N)c1 1866676246 VBZISUXJPCFOSJ-INIZCTEOSA-N 444.535 4.505 30 10 IJEE COc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870147536 VFJAXUUQZRZCAE-UHFFFAOYSA-N 431.540 4.966 30 10 IJEE CCCCCCCOc1cn(CCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870259925 PMNWJXHQSOERMV-UHFFFAOYSA-N 443.613 4.674 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1Cc1ccccn1 1870379616 LMWOZLSRPSOMQR-UHFFFAOYSA-N 443.591 4.970 30 10 IJEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2cccc(Br)c2)cc1=O 1870808762 AVLFSRBTXNIVGR-UHFFFAOYSA-N 443.316 4.975 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(C)c(C)c1 1870872792 XCQNPGSROPGMKC-UHFFFAOYSA-N 428.573 4.990 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(Cc2ccccc2F)CO1 1871346898 HMGNRUNWSWICQV-JJFYIABZSA-N 432.407 4.702 30 10 IJEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 1871353029 MBXIOIWRGDPVQB-AWJKJRTCSA-N 447.506 4.678 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4OC)ccc3C2=O)cc1 1871459048 MOJGDVDXRSQYGB-OYKKKHCWSA-N 429.472 4.891 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H](C)CC)S(=O)(=O)CCC 1871959185 LGSXPULCSUDGPB-KDOFPFPSSA-N 435.417 4.965 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872214160 UROYBCPOKDHJAU-INIZCTEOSA-N 434.989 4.841 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872436400 FTWFTOWGNJVEOP-HRAATJIYSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872468034 SUJKDFHPLFMBEW-NRFANRHFSA-N 434.989 4.742 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872496753 ZBOISFVFXLOOPI-CVDCTZTESA-N 428.598 4.869 30 10 IJEE N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759655 VJRZIOAZCWAYNP-HNNXBMFYSA-N 428.267 4.971 30 10 IJEE COc1c(C)cc(C)cc1-c1csc([C@H](C#N)C(=O)Cc2ccc(NC(C)=O)cc2)n1 1872780725 LROWTDVKXIZHOA-HXUWFJFHSA-N 433.533 4.813 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCc3ccccc3OC)cc2[nH]1 1872807463 OZWHGOFNUCQFFX-UHFFFAOYSA-N 443.503 4.645 30 10 IJEE C=CCn1c(C(=O)NCCC2=CCCCC2)cc2c(N3CCc4ccccc4C3)ncnc21 1873595581 JNXHMESKVPEACG-UHFFFAOYSA-N 441.579 4.800 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)c1 1874308239 MYYPUBHBCCHOSW-YZSQISJMSA-N 445.592 4.893 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1ccc(C(F)(F)F)cc1 1874398527 AGTHPNRFABPAMJ-PVLQNKMRSA-N 434.487 4.805 30 10 IJEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)c1 1874401958 AWWUAEGQZASZAE-WGOQTCKBSA-N 444.560 4.957 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccco2)c1 1874421916 LEUVLGBYWSDRIC-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE Oc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 1874451916 VAHRSDHJAOFZIM-RIDKEVFESA-N 432.908 4.802 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccs2)c1C 1874464727 YPTLQNJWCWFJEW-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)ccc1O 1874483255 MDLUPQGVYXNRGF-ZMOGYAJESA-N 428.533 4.994 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1c(F)cccc1Cl 1874511582 FUWGAPUPZNBPFP-YSURURNPSA-N 449.914 4.946 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C(C)(C)C)c1OCc1ccccc1Cl 1874559404 PUGVDCJYYXSQAL-FSJBWODESA-N 430.961 4.988 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)cc1OC 1875098805 QIEUHVDPKSMUFI-FPYGCLRLSA-N 431.282 4.678 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCOc1ccccc1 1875116313 VUWCAYQUOZUAIX-NTUHNPAUSA-N 447.443 4.874 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1cc(Br)ccc1Br 1922062815 OMSTZBRWLARZMC-GOSISDBHSA-N 440.131 4.587 30 10 IJEE Cc1cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)ccc1C#N 1952855169 VBVCNBFVHOYJQT-SHQCIBLASA-N 438.483 4.705 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 1989962668 FQBUHRDXPWZDFP-ZIAGYGMSSA-N 435.487 4.714 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034818061 ISLINJGKHIBNAI-QFIPXVFZSA-N 426.564 4.519 30 10 IJEE CCOC(=NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 2039106327 PYBBFRGFAHPUOK-UHFFFAOYSA-N 426.925 4.959 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2nc3ccccc3cc2C#N)C1 2055661210 RZCWSEYIDVWNLJ-UHFFFAOYSA-N 430.508 4.664 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)c(F)c1 2079070293 DTSWGYVAPCDHOQ-JDYBYSMLSA-N 439.272 4.620 30 10 IJEE N#Cc1c([C@H]2CCOC2)nn(Cc2ccc(C(F)(F)F)c(Br)c2)c1Cl 2080284788 UWAGWOQOYKLSJQ-JTQLQIEISA-N 434.643 4.742 30 10 IJEE N#Cc1c(C2CCOCC2)nn(Cc2ccc(F)cc2C(F)(F)F)c1Br 2080339342 VFKCQVAYYHGFPT-UHFFFAOYSA-N 432.215 4.617 30 10 IJEE Cc1cc(Br)c(Cl)cc1NCc1occc1B1OC(C)(C)C(C)(C)O1 2101334371 LBOGUPPGOAGFBB-UHFFFAOYSA-N 426.547 4.915 30 10 IJEE C=C([C@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1)C(F)(F)F 2147311640 GQJGXGUKSDBJTH-UWVGGRQHSA-N 437.119 4.793 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1Nc1cccc(Br)c1C#N 2162301038 KGXQQFPKZVGTBP-OALUTQOASA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](N)C#Cc1cccc(Cl)c1 2212467273 VBXMOXJDUKBLSL-FCHUYYIVSA-N 428.960 4.519 30 10 IJEE CC1(C)OB(c2ccc(CN3CC[C@]3(C)CCOCc3ccccc3)s2)OC1(C)C 2214517921 MONZSYPRKBPFRX-XMMPIXPASA-N 427.419 4.619 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2235720591 HPPZYMUMOQNOKU-GGPKGHCWSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2235726683 YDCCHGXDYASPMX-RTBURBONSA-N 435.406 4.718 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2235747741 SGPLNINHMFZMLG-PNYFIKQUSA-N 433.390 4.567 30 10 IJEE C#CC[C@H](C)C[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237400511 XHBIRLHILUGNIZ-DBVUQKKJSA-N 437.422 4.913 30 10 IJEE C#CC[C@H](C)C[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428211 JYKWJJMOIKUOPG-VDGAXYAQSA-N 437.422 4.913 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2249584232 GNHYEJWNRVEUES-ROUUACIJSA-N 427.545 4.886 30 10 IJEE CCCc1ccc(C#C[C@@H](O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 2268744889 CHSDNRQIDMFUPK-RUZDIDTESA-N 449.591 4.805 30 10 IJEE Cc1ccnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1B1OC(C)(C)C(C)(C)O1 2282614148 QETCMXPUSTXUHX-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296219110 KZSZBCWYGFJHFD-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296310246 HFDYXAXTHSRNST-PKOBYXMFSA-N 435.406 4.672 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296340266 ACDKQLKLIDXAQU-QFIPXVFZSA-N 444.443 4.538 30 10 IJEE C=CCOc1c(Br)cc(C=C2N=C(c3cccc(F)c3)OC2=O)cc1OCC 2297328018 UPKXXFNMKOPNDG-UHFFFAOYSA-N 446.272 4.896 30 10 IJEE C=CCC1(NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CCN(C(=O)OC(C)(C)C)CC1 2299205613 DVURWCQRADIEQC-GOSISDBHSA-N 437.625 4.567 30 10 IJEE C=C(Br)CCN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2315911095 BYFSSOSSTPCDGM-KBPBESRZSA-N 429.321 4.843 30 10 IJEE CCCN[C@@H](C#C[C@H]1CC1(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2317338437 OKDRNDOHWMWUDN-GOTSBHOMSA-N 440.628 4.858 30 10 IJEE C[C@H](CCN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317356404 IVUKCKCQLKCHAH-QGZVFWFLSA-N 432.370 4.751 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319668890 KJAULEQVQREUOF-QHCPKHFHSA-N 438.418 4.546 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2319748644 KNZLWDCZNIUDER-MRXNPFEDSA-N 430.354 4.650 30 10 IJEE Oc1nc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)nnc1-c1ccccc1 2323284002 TUBPBBDIDMQEKS-UHFFFAOYSA-N 431.883 4.923 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2cc(OCC)c(OCCCO)c([N+](=O)[O-])c2)cc1 2323544057 KMOLUWNHQQOKRI-UHFFFAOYSA-N 427.497 4.993 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1OC 2324398461 NVBDBMRTPJCPNU-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)Nc1ccc(O)cc1 2325547101 OZZKLYUTMGBHFF-UHFFFAOYSA-N 439.826 4.818 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326793752 UORLBGZXYQDBEL-UHFFFAOYSA-N 447.564 4.602 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccc[nH]1 2326830196 FPTFMCXSQQEUNT-UHFFFAOYSA-N 433.537 4.758 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2329097455 LOFBFJKUHKEMBD-UHFFFAOYSA-N 426.929 4.771 30 10 IJEE Oc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 2329210112 PASDERLGZVDTBW-UHFFFAOYSA-N 430.533 4.780 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccco1 2330054916 DKXGNHHQKHRRPF-KRWDZBQOSA-N 431.521 4.636 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2c[nH]c3ccccc23)o1 2331201791 WZPUPOGUVGAEFF-UHFFFAOYSA-N 447.476 4.574 30 10 IJEE COCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331237767 BUPOYCSYVWUVLV-UHFFFAOYSA-N 434.487 4.969 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1N=Cc1ccc(Cl)c(Cl)c1 2331356069 KOVJIZIRKLZBNI-UHFFFAOYSA-N 429.373 4.855 30 10 IJEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 2331436483 YKIJTQDYZDXZMY-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)C)c1 2331696084 OHEPTFGRDQLNGD-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C1CC1 2331754450 AJINJBJGNJYROQ-UHFFFAOYSA-N 430.884 4.886 30 10 IJEE CCOc1cc(C=NNc2oc(-c3cccs3)nc2C(=O)OC)ccc1OC(C)C 2331931894 FLUIRQZIBRWOGO-UHFFFAOYSA-N 429.498 4.822 30 10 IJEE CC(C)(C)OC(=O)N1[C@@H](CNc2ncc(Br)cc2C#N)C[C@H]2CCCC[C@H]21 2358977306 WITPRSJGMFRZEY-KBRIMQKVSA-N 435.366 4.696 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1 8413361 NGZWKKTZPQFIFX-XMMPIXPASA-N 430.552 4.534 30 10 IJEE CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 22905270 HFXZNBSHKULHLV-UHFFFAOYSA-N 431.561 4.758 30 10 IJEE Cc1ccc(C(=O)/N=C(\Nc2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1F 32946387 UIGUCRUYWKWHGH-UHFFFAOYSA-N 440.538 4.832 30 10 IJEE CCCn1cc(CN/C(=N\C(=O)c2ccccc2C)Nc2ccc(OCC)cc2)c(C)n1 32972769 DILIRCKXYXDSNZ-UHFFFAOYSA-N 433.556 4.707 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(C)c2)Nc2cc(C)ccc2OC)c1C 32973430 YDKHDVLUWSDWOK-UHFFFAOYSA-N 447.583 4.586 30 10 IJEE Cc1csc(/N=C2/S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2c2ccccc2)n1 39865525 AHZUSIRHPLBREU-FKCKOBBUSA-N 432.530 4.607 30 10 IJEE CCOc1cc(/C=C2\S/C(=N/N=C\c3ccccc3)N(Cc3ccco3)C2=O)ccc1O 47137263 XLRMRLOXSHCZMZ-QXZAMSPYSA-N 447.516 4.891 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)cc1 62993141 VBHKEQUAUNSRJZ-MYYYXRDXSA-N 441.531 4.896 30 10 IJEE COc1nc(C/C=C(\C)C/C=C/C(C)=C/[C@@H](C)[C@@H](O)[C@]2(C)O[C@H]2C)c(C)c(O)c1OC 85556001 CEBWOMXCEYSUQN-NZFRVVBFSA-N 431.573 4.669 30 10 IJEE CC[C@H](C)[C@H]1C(=O)/C(=C(/O)[C@@H]2[C@@H]([C@]3(C)O[C@H]3C)C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@@H]23)C(=O)N1C 102216253 NPWKEUKXVOMELT-OHCYASAESA-N 429.601 4.532 30 10 IJEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc2c(c1)OCCO2 106810354 OMTPQHZOXVYEKB-ZCGWOIPMSA-N 437.546 4.618 30 10 IJEE Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2=O)cc1 108371140 AGHIJFMYNUKCNH-QFIPXVFZSA-N 439.515 4.632 30 10 IJEE COc1c(Cl)cc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)c(OC)c1Cl 169938078 ZTXYAXGZGYDNKX-MRXNPFEDSA-N 437.348 4.686 30 10 IJEE COC(=O)c1sc(N/N=C\c2ccc(OC)c(OC)c2Cl)nc1-c1ccccc1 169942394 GJQZDXJXVSDAKA-JJFYIABZSA-N 431.901 4.713 30 10 IJEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1[N+](=O)[O-] 169942898 ZFCMPSXZJDMWSH-NHDPSOOVSA-N 428.470 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccc(C)c2)cc1 169966203 LYWAJNXEJCTDOP-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)c1 170138454 VQDNFSZLYGOAMW-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccn2)cc1C 170174866 XOAMATHCAFZCTI-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccn2)c(C)c1 170175672 SAGUGOVIIAOFEQ-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(N2CCCC2)cc1 170179737 OJRKAMODDWZBSK-UHFFFAOYSA-N 436.968 4.780 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)c1 170184028 ZULKGMPCRKELGL-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccco2)cc1 170280095 KDIISEJHPXJVAQ-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)o1 170310591 XEBHNRIDAJWUIJ-JOCHJYFZSA-N 441.524 4.769 30 10 IJEE Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1N=Cc1cccs1 254633203 YEWZGTQHGILUGF-UHFFFAOYSA-N 444.564 4.731 30 10 IJEE C=CCOc1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 475621226 WVMKLVXACPMWHZ-SFHVURJKSA-N 430.264 4.856 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)NC1CCCC1)C(C)C 489619924 BLACMNYFAJQCRD-OAQYLSRUSA-N 428.602 4.527 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CN2CCCC2)CC1 508911370 APWJRLGBBRMSNR-GOSISDBHSA-N 429.996 4.570 30 10 IJEE C=C(C)CN1CCC(NC(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)CC1 517323858 FLPXAXPNRBADHS-UHFFFAOYSA-N 441.595 4.611 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cc(CC)nc(-c2ccccn2)n1 517579641 QXRUQSFGYUEEIU-UHFFFAOYSA-N 448.527 4.748 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@H]1c1ccc(O)cc1 526519425 ACPXDKIYRICEFN-QHCPKHFHSA-N 442.471 4.728 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(OCC(C)C)cc2)cc1 526827043 GYPJKBPIJYCAHG-CFRMEGHHSA-N 438.553 4.582 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(N(CC)CC)cc1 526828547 HQFYBQMAXPWNPA-HAHDFKILSA-N 438.557 4.769 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3cccc(OCc4cscn4)c3)n2)c(Cl)c1 543893181 GDXRMTKJPLSYRL-UHFFFAOYSA-N 435.896 4.685 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccc2c(c1)OCCO2 558993826 KBHKXLISSLPPOL-URXFXBBRSA-N 446.551 4.507 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 559026065 MARHOXPFLRNQMN-IBGZPJMESA-N 441.645 4.586 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 560071249 IWZVDWHCZLVOAG-UHFFFAOYSA-N 440.340 4.556 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 574368448 LACDTZXTFWJYOZ-DEOSSOPVSA-N 446.551 4.500 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 584244367 HBJZOXBXUPKNNG-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1ccc(C#N)cc1F 619434967 VRJFGCDVJVPNCP-UHFFFAOYSA-N 428.261 4.607 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1Cl 619769596 BTZVDNJOIXYIOB-FQEVSTJZSA-N 443.334 4.523 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 670202302 MTVVVDVLGZKCTR-HTDNTCHWSA-N 436.600 4.742 30 10 IJEE Cc1nc(-c2cccc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c2)cs1 745675709 CDMAFVNGYRZMSZ-LBPRGKRZSA-N 437.546 4.724 30 10 IJEE C#CCN(C(=O)Nc1cccc(N(C)C)c1C)[C@@H]1CCOc2ccc(Br)cc21 776031148 BQKBMFWBCREFCB-HXUWFJFHSA-N 442.357 4.814 30 10 IJEE C=C(Br)CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 777469979 FEEPYUFJOACSMI-LLVKDONJSA-N 430.062 4.650 30 10 IJEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(Oc2ccc(Br)cc2)cc1 798828572 URFBSAJQVWLVGJ-KBPBESRZSA-N 441.285 4.570 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 804560478 CDJSJOZSIDKXRP-VWLOTQADSA-N 440.588 4.809 30 10 IJEE CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1 1128852579 CJMLHKDLCMKSAU-UHFFFAOYSA-N 433.533 4.806 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 1139787976 HNKWRNGSSOWBGV-HXUWFJFHSA-N 434.392 4.636 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1146478803 VWIIRUHIRFEGNY-SFHVURJKSA-N 440.499 4.564 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1OC 1149573763 GCAGCDCNQWNWCQ-ZCQBWMKESA-N 434.536 4.616 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 1161579946 ALAPWOFWOBLGEI-AZUAARDMSA-N 426.358 4.586 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c(C)c2c1 1161667971 AMPVVYKKLBGBMW-UHFFFAOYSA-N 427.316 4.826 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(Cc2ccc(F)c(F)c2)CC1 1169626243 AFLFMMNVEMLHIG-QGZVFWFLSA-N 429.486 4.694 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(F)c(F)c1 1189412680 OTHISBWVDZEBBH-INIZCTEOSA-N 436.705 4.976 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(Cl)ccc1I 1194250442 GNTGGDYPIOMODB-UHFFFAOYSA-N 431.701 4.608 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 1196600957 PZLLLXDKXGXRPB-NRFANRHFSA-N 443.613 4.643 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 1200403455 ZRCNQQCDTSTFCT-NRFANRHFSA-N 441.572 4.780 30 10 IJEE C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1ccc(C#N)cc1Cl 1211083210 CNDGDFGMLGTKSW-BXKMTCNYSA-N 436.964 4.979 30 10 IJEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 1214623361 IEBCNQWIGLVNBG-HSZRJFAPSA-N 441.535 4.526 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1)c1ccc(Cl)cc1F 1221718952 FQPCBSDZEASLPM-MGPUTAFESA-N 434.342 4.941 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 1222359457 RPTJWFSLHOIOMW-UHFFFAOYSA-N 436.552 4.989 30 10 IJEE C#CCN(C(=O)N[C@H](C)Cc1cc(C)nn1-c1ccccc1)[C@H]1CCCc2ccccc21 1230590068 SMOVIKWHBYHHPF-IBVKSMDESA-N 426.564 4.834 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(Br)ccc(OCC)c1F 1272194333 YHDZUZKOGSIYAX-UHFFFAOYSA-N 438.341 4.983 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 1275698324 GPFWFIBFWZZIEJ-JOCHJYFZSA-N 425.532 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(CCOC)CCCCC1 1286302748 OBVQUAKYRULGDW-QFIPXVFZSA-N 438.616 4.919 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286356948 OYLLBLBIRLVAIJ-GOTSBHOMSA-N 436.600 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@H](C)C1 1286558813 QWLOGNZUIWHHFU-IXFSTUDKSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)OC(C)(C)C 1286569423 PFMGDDOSUOTFSG-UHFFFAOYSA-N 437.947 4.665 30 10 IJEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC=C(Br)C1 1286631906 AMTRFFGNGFRGAX-UHFFFAOYSA-N 432.753 4.523 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635260 NTVMNYBLLPJUNC-FGTMMUONSA-N 436.000 4.570 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ccc(F)cc1 1286769520 ZHKXJHYDGFTCDV-VLCRHTCISA-N 444.595 4.778 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2c(C)sc(C)c2Br)C1 1286801286 XREYSSYKQIGUKA-HNNXBMFYSA-N 439.423 4.672 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@](C)(OC)CC1 1286835106 QJBAUCRDWXLVAA-XMMPIXPASA-N 444.645 4.789 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC2CCCC2)n1Cc1nnc(C(C)(C)C)s1 1287602136 CQSSHTBVTSKJHO-UHFFFAOYSA-N 443.665 4.974 30 10 IJEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2C)CC1 1295464366 CRUQIGPIYUDSLM-UHFFFAOYSA-N 434.613 4.546 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H](C)C1 1295636029 AZTCLJUWJFUCEA-IBGZPJMESA-N 434.613 4.637 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1300340976 AQNUPGDDPSOVKC-UFYCRDLUSA-N 442.629 4.951 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1300357918 BHEXXMAHSQHODO-XZOQPEGZSA-N 446.599 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)SC 1300790733 VVRXOMLMDNBKFV-HOYKHHGWSA-N 436.581 4.861 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1C 1300817338 ILXLHYBQJLZBDJ-HFZDXXHNSA-N 449.599 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1300895647 UGCWUZVRCYDLRO-CSEOROSGSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(Cl)c1 1300901893 VESBIHYSLBCKHX-QFIPXVFZSA-N 436.959 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1ccsc1)N(C)C 1300905779 DXLLHECTZIUPNM-OAQYLSRUSA-N 425.602 4.721 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2cccc(F)c2)CC1 1301114510 TXEZSKGFYHOIGJ-UHFFFAOYSA-N 427.911 4.614 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1scnc1C 1301155873 YVZQYYFXJVKMIU-UHFFFAOYSA-N 435.601 4.520 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1301209001 ISNAESCBCBXDRA-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(OC(F)(F)F)cc2)o1 1304317965 CZNKKZGRORPLFB-OAQYLSRUSA-N 445.445 4.924 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OC)nnc1-c1ccc(Cl)cc1 1307250741 NUYQEBYWMKSFHK-GOSISDBHSA-N 431.920 4.800 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1c[nH]c2c(Br)cccc12 1309891165 ZSMQUZBCZGATLZ-LJQANCHMSA-N 443.366 4.632 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)c(Br)c(F)c1)c1ccc(Br)cc1 1310506885 JBMPHNGCDBFKDH-CQSZACIVSA-N 444.073 4.986 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 1312939094 DHVJJHGINLKREG-NRFANRHFSA-N 426.358 4.565 30 10 IJEE COC(C)(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C#N)CC1 1315129952 DOGDSAJENYTARY-KRWDZBQOSA-N 445.995 4.853 30 10 IJEE CSc1nc(O)c(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)cc1C#N 1338359896 JZQOMBKUKJSFEN-ZHRRBRCNSA-N 429.545 4.600 30 10 IJEE COc1cc(OC)cc(C(=O)c2c(NC(=O)c3ccc(C#N)cc3)sc3c2CCCC3)c1 1349397337 BLCIHBBPRROULM-UHFFFAOYSA-N 446.528 4.999 30 10 IJEE C=CCN(C(=O)[C@@H]1CCC[C@H]1CCC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352004949 VVGWIJHSYGSTLK-VQIMIIECSA-N 432.611 4.949 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@H](Cc1ccccc1)c1cccs1 1353295515 DOTMOLMXOZNSMI-GOSISDBHSA-N 441.350 4.861 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1353723074 CVUCYWFZOFPEMV-KRWDZBQOSA-N 439.487 4.619 30 10 IJEE C=CCOc1ccc(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1357928312 VEMDGZGZGOLCDM-UHFFFAOYSA-N 440.849 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CCOCC)CCCC1 1358884468 QAVUYGMASHDMQT-NRFANRHFSA-N 446.599 4.576 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 1358918165 MNTCUOKISHTQDW-ZCNNSNEGSA-N 429.609 4.778 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@H](C)C1 1359064238 OMLGRWPWOVQAOS-NRAIQUKZSA-N 442.991 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](CC)N1CCCC1 1359066835 RFJYFDLXQKQGJW-WZONZLPQSA-N 429.971 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(CC)CCOCC1 1359074095 QJHSWCGBVJHNED-HSZRJFAPSA-N 442.991 4.709 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCc2nccs2)CC1 1359161054 OASJKOJQOAPIME-UHFFFAOYSA-N 444.402 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC=CCC1 1359187638 RVHCHGLUMVBCNB-UHFFFAOYSA-N 432.572 4.605 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1359246536 DSHFGVZNWHXWDU-XDHUDOTRSA-N 428.552 4.653 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS1 1359259014 JMFIHGOCPRZYIK-HXUWFJFHSA-N 425.627 4.722 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1CCC(OC)CC1 1359279051 QLVGJIGBDAYMHX-UHFFFAOYSA-N 449.599 4.646 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 1359307246 FGVOOUGUNFVFMB-JOCHJYFZSA-N 449.599 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(Br)cc2)C1 1359314107 WCEYSMJUWDCYFH-VQIMIIECSA-N 433.394 4.578 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2oc(CCC)nc2C)C1 1359315915 DPZVWYFDBAKWTM-OAQYLSRUSA-N 435.572 4.586 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1359341494 YQANLYHLTFKUMC-RTWAWAEBSA-N 439.629 4.985 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)CCO1 1359747639 FTOTUVDCFOTPHJ-RPWUZVMVSA-N 444.583 4.513 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(F)c(F)cc1I)c1ccc(F)c(F)c1 1435951956 WHOQCJKNNLMFHL-INIZCTEOSA-N 449.185 4.895 30 10 IJEE C#CC[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1446343043 UHCWNHFHZSIPNY-BCHFMIIMSA-N 438.527 4.794 30 10 IJEE C=CCSCCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 1458830740 GOSLDHBZIMXKRH-XUZZJYLKSA-N 438.593 4.523 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)C(F)(F)F)cc1 1460041168 LFFKZHNFPQBKAO-OAQYLSRUSA-N 444.409 4.896 30 10 IJEE Cc1nc(CCC(=O)NCc2ccc(C#N)c(F)c2)oc1-c1ccc(Br)cc1 1460905531 FDSYOXCKXMJDMW-UHFFFAOYSA-N 442.288 4.672 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1465337668 HYGKBBPKKIGLTF-LPHOPBHVSA-N 445.560 4.518 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 1466163470 REMGOPQZFZDCCO-HSZRJFAPSA-N 432.545 4.599 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1470664886 AOZLCVSEWXKNQO-YCRPNKLZSA-N 434.342 4.895 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 1474888927 FGWSOOKIVJDUKA-QFIPXVFZSA-N 448.629 4.605 30 10 IJEE COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1478475445 BDWQVVFFUJOSPX-RQMSSXIXSA-N 448.567 4.835 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCO[C@@H]1CC(C)C)[C@H]1CCOc2ccc(Br)cc21 1478500497 YKNKALUBRFYHKJ-SVFBPWRDSA-N 449.389 4.511 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccco1 1507554990 BPPMZPRUIRVYPK-QGZVFWFLSA-N 428.334 4.774 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1507556501 IYTHUQAVQRZAPG-DVECYGJZSA-N 442.991 4.882 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1CCCCC1 1507750325 QONWMXJUDAWJEP-UHFFFAOYSA-N 434.613 4.514 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(Nc2ccccc2Cl)CC1 1507752061 USLYSUBFMVVJCH-UHFFFAOYSA-N 446.064 4.967 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCCOC 1507765088 XQHBYJBLGPWUHW-HOYKHHGWSA-N 426.630 4.940 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H](C)[C@@H](C)C1 1507792106 DVGHZDJRFAQLGE-HOTGVXAUSA-N 449.393 4.647 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCSC(C)C)CC1 1507897474 JOGJVSKXQKDSKH-UHFFFAOYSA-N 446.617 4.515 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](CC)N2CCCC2)CC1 1507908780 FFAQDWMOGFLMRS-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1507909967 ZRARDDCKOPYQHE-LJQANCHMSA-N 436.478 4.521 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCSC1 1507974657 ZWVRNUBPJQTXOH-ZDUSSCGKSA-N 425.371 4.612 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1508061218 LKXIYDXBVBAQIE-AZUAARDMSA-N 429.609 4.595 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C(C)(C)C)cc1 1517425480 RFHRSBIXZCVWBM-UHFFFAOYSA-N 441.959 4.875 30 10 IJEE C#CCCCCNC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1517612708 RNTGSFQNJUSEBI-FQEVSTJZSA-N 430.548 4.567 30 10 IJEE N#Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)ccc1OC(F)(F)F 1519455061 FIZYBXQTLYMQOB-UHFFFAOYSA-N 437.328 4.567 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1524237726 OXGURSKYHSBAAI-UHFFFAOYSA-N 441.906 4.994 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 1525419447 AQIQWPYDBCCUGT-AVRDEDQJSA-N 430.390 4.625 30 10 IJEE C#C[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccc(Br)cc1 1528498152 SWHNCUXKFVMKMT-KRWDZBQOSA-N 446.142 4.726 30 10 IJEE C=C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1 1528624030 RQDFIHISJNUGNM-QHCPKHFHSA-N 441.593 4.855 30 10 IJEE Cc1cc(OCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1Br 1533836148 DTSSUIJIHYOJAA-UHFFFAOYSA-N 441.247 4.599 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC(CC)(CC)OC 1538991792 DTWMGCCNZVGHNS-AWEZNQCLSA-N 437.357 4.510 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCc1ccnc(C(C)(C)C)n1 1539147629 IPYODHCEDCTONQ-UHFFFAOYSA-N 442.611 4.538 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1Cc2ccc(Br)cc2C1 1539524392 BGPALFSNGLWZEO-UHFFFAOYSA-N 445.430 4.660 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCCCN1CCCC[C@H]1C 1539562892 DQBCTUDYIKSVSY-YIXXDRMTSA-N 449.643 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCN(CCC)C(=O)OC(C)(C)C 1539563279 KKMZEWYSHIBTEM-RUZDIDTESA-N 443.636 4.650 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CCCC 1539618844 BADMSIWNGSZVBI-OFNKIYASSA-N 434.588 4.943 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1CCOCC1 1539659350 STUMGIDFHAQJDT-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539894765 UAANFUKCSIAXHR-KRWDZBQOSA-N 445.633 4.588 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@@H]21 1539916480 LDKRVCAYZOCDGE-AQNXPRMDSA-N 443.636 4.984 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1539960906 JJQAJCJPHQZKDB-UHFFFAOYSA-N 448.615 4.536 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCO[C@@H]1C(C)C 1540088619 OKCRIXBKUQMFNR-XMSQKQJNSA-N 430.618 4.652 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1540119839 LGEMUOUHYKLUNA-DFBJGRDBSA-N 435.955 4.833 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1540146310 CSOUIYYAOHKWDM-UHFFFAOYSA-N 443.617 4.662 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC1CCN(Cc2ccccc2)CC1 1540158194 BTYAQLQLKZNHEV-UHFFFAOYSA-N 431.584 4.937 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1540911867 FIPHMXZTBBSTIG-HDICACEKSA-N 430.618 4.754 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCC(F)(F)C2)c1 1542679736 HHEPVNQAFPHYCX-XMSQKQJNSA-N 429.515 4.731 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12 1543729167 SZSLWOHXJMRCHR-UHFFFAOYSA-N 438.527 4.949 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)c3cccc(OCc4ccccc4)c3)cc2C1=O 1543892439 YNYCPIOLNIGFSE-GOSISDBHSA-N 441.483 4.966 30 10 IJEE O=C(CCCc1ccc(F)cc1)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1544636197 BDNNLOVBGYBANY-SFHVURJKSA-N 437.355 4.734 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](CC)C1)N(C)C 1546723461 AFDGYJNRESWJPK-VXKWHMMOSA-N 440.661 4.515 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 1558020613 SDTXSHGMBUYEIB-RTWAWAEBSA-N 438.572 4.607 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 1558922811 VDASXKRAYUPVMZ-RUZDIDTESA-N 426.516 4.607 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CC(F)(F)F)c3ccc(C)cc3)ccc2c1=O 1558962459 TYJXIZHRPMITIG-GOSISDBHSA-N 447.482 4.603 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1OC 1560683947 SEHHXJRYMYFYBK-UHFFFAOYSA-N 432.948 4.518 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(c2cccc(Br)c2)CC1 1564091727 FPVISCRDJFCPOL-SFTDATJTSA-N 438.369 4.962 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1ccccc1OCc1cccc(Br)c1 1568551555 IYIJAAJXCRSAKS-UHFFFAOYSA-N 431.374 4.608 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc3ccc(Br)cc3c2)c(C#N)cn1CC 1585301388 GBYMLIIFQLCBFX-UHFFFAOYSA-N 440.297 4.724 30 10 IJEE C=C(C)[C@@H](NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1ccc(F)c(F)c1 1585436487 USHJJOLIBVEXJN-HXUWFJFHSA-N 428.460 4.907 30 10 IJEE N#Cc1cc(F)cc(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)c1 1587329949 JEWXFZWYAHOBNF-UHFFFAOYSA-N 442.541 4.548 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1csc(CC)n1 1587678537 UHCSRBOMSIFTMU-HNNXBMFYSA-N 446.045 4.943 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1593660457 OLPXAUWHHAMVEJ-PWRODBHTSA-N 445.007 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2nccs2)C1 1594522265 ZXZDRMYKEKYQEN-FQEVSTJZSA-N 437.613 4.700 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](CC)C1 1594591518 YUUPLZQXNFOOCX-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1594708952 CYZHEDULMHMARL-GOSISDBHSA-N 442.951 4.649 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCCN1CCCC[C@@H]1C 1595127528 SJQPRGIUQANCJR-NRFANRHFSA-N 448.590 4.936 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1sc(C)nc1C 1595178749 NTYUPFYDLAORTG-MRXNPFEDSA-N 427.549 4.857 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1597057201 DHGBBQGBHXCUGM-ULQDDVLXSA-N 439.396 4.813 30 10 IJEE CC#CCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1598064532 WRABDJOEQOCZCK-VWLOTQADSA-N 430.548 4.614 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)c(F)c1 1616146823 WJHWRQWGQPKYJP-HNNXBMFYSA-N 449.748 4.583 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cnn(-c2cccc(Br)c2)c1C)c1ccccc1 1618588409 CMIDFDIETCKNTK-HHHXNRCGSA-N 444.354 4.797 30 10 IJEE CS[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1620213519 APXKVAUHWVROTJ-YLJYHZDGSA-N 429.634 4.848 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)C1 1620239860 CATSHXFQJCVJHD-IBGZPJMESA-N 427.643 4.824 30 10 IJEE N#CCCN1CCN(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 1622801079 HQIKUYBJSXFGFB-UHFFFAOYSA-N 445.386 4.663 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]2C(C)(C)C)ccc1Cl 1623605301 VEYOKUAHTHFANV-OAQYLSRUSA-N 447.000 4.982 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1 1627273762 FPKBTJJBAVUBLB-UHFFFAOYSA-N 438.574 4.785 30 10 IJEE C=CCCC[C@@H](C)NC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1632683055 KOUNIMSYSLYWOR-VGOFRKELSA-N 443.385 4.710 30 10 IJEE Cc1cccc2c1CN(C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)CC2 1632860235 DZQZNYYTVCAFBA-UHFFFAOYSA-N 441.556 4.796 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1)[C@H]1CCCO1 1634470704 XXWWXDIIJUZOEA-IFMALSPDSA-N 428.529 4.662 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2nc1N1CCCC1 1635802044 KMXABHAOUIFYLM-UHFFFAOYSA-N 432.593 4.927 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCCC1 1636897495 FXISQELJIXESPS-UHFFFAOYSA-N 438.399 4.987 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1637540485 XSIWHIYPLUZBPN-HZPDHXFCSA-N 435.531 4.714 30 10 IJEE CC#CCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1638761265 MWYJZBHCGUBZJP-UHFFFAOYSA-N 432.973 4.579 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)C1 1641288207 IPVYRPFBICHUSV-IBGZPJMESA-N 438.593 4.579 30 10 IJEE CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1occc1COc1cccc(C#N)c1 1643264677 DYLYKCAAXNJQLU-XMMPIXPASA-N 443.547 4.857 30 10 IJEE CCc1ccc(Cl)c(CC)c1NC(=O)CCCn1c(C(F)(F)F)ccc(C#N)c1=O 1644185070 HMLLCIZYJWXBLB-UHFFFAOYSA-N 439.865 4.936 30 10 IJEE C=C(C)CONC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1644320083 ZEWLBNAPVAAXPA-UHFFFAOYSA-N 430.570 4.639 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCCc1cc(-c2ccc(F)cc2)no1 1644491602 ADYNXNMQRVLZSI-OAHLLOKOSA-N 440.906 4.897 30 10 IJEE Cc1sc(NC(=O)CN(Cc2cccc(Br)c2)CC2CC2)c(C#N)c1C 1645513697 APCHGNXDGOKPJX-UHFFFAOYSA-N 432.387 4.850 30 10 IJEE C=CCn1c(Sc2nc(C(F)(F)F)c(Br)s2)nnc1-c1ccncc1 1651335204 PZAYHWFBCBXYBC-UHFFFAOYSA-N 448.293 4.915 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)c2C#N)C1 1654484333 CZHJVLPZTKBMAI-PMBVPFKGSA-N 443.657 4.893 30 10 IJEE C[C@@H](N[C@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(CCC#N)c1ccccc1 1654569361 GOGPFCHQTYOELQ-IERDGZPVSA-N 440.385 4.997 30 10 IJEE C=CCC1(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)CCCCC1 1655339626 LFNMBFOUMYOHEH-UHFFFAOYSA-N 442.297 4.905 30 10 IJEE C=CCn1c(SC[C@@H]2CCC(=O)N2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1656001794 CQZPPVKYZLBIHV-CVEARBPZSA-N 430.643 4.714 30 10 IJEE C=CCCn1cc(CN[C@](C)(Cc2cccc(Br)c2)c2ccccc2)nn1 1656595216 LAKUIOPPNHBQHF-JOCHJYFZSA-N 425.374 4.864 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1OC 1658609048 VPOBYQVPHQRDFI-NHCUHLMSSA-N 434.502 4.803 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 1659179960 GDSSVGFMICOTQA-GUYCJALGSA-N 446.935 4.658 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2c(C)nn(CC(C)C)c2C)c1 1659980200 VSFFEUWLEMFKJU-UHFFFAOYSA-N 427.595 4.594 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)sc2ccc(C#N)cc12 1663516137 AFRGPYTUQFFLSH-NRFANRHFSA-N 441.622 4.516 30 10 IJEE C#CCN(Cc1ccc(F)cc1)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC 1663717299 JAAMLIDBYOWYAE-UHFFFAOYSA-N 446.309 4.740 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 1667590138 XXNDSIJUDHXOMQ-XMMPIXPASA-N 429.520 4.717 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)sc2ccc(C#N)cc12 1669574642 FYBACQFAQQJUTK-RTWAWAEBSA-N 440.590 4.948 30 10 IJEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@H]1CCCc2ccccc21 1678459978 RLTAEQPPWUDPSX-UNMCSNQZSA-N 427.589 4.648 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1 1682352783 UQXGVQIEBZMFGT-OALUTQOASA-N 438.833 4.696 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CCc2ccc(O)cc2)CC1)c1ccc(Br)cc1 1682356755 MVGPKXMUCQDEIU-JOCHJYFZSA-N 441.369 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN1CCCC1 1689827408 DSMGCORAFXJLRR-UNMCSNQZSA-N 437.632 4.615 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC1CC(OC(C)(C)C)C1 1689855239 QXTKRIFODDDYQI-FQVISZRSSA-N 429.008 4.964 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1ccc(F)cc1 1690055014 MKERLPLETLCHHH-UEVCKROQSA-N 436.575 4.602 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H](SC)C(C)(C)C 1690089528 DHUJHZPUNUCXLF-NRFANRHFSA-N 437.588 4.897 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@H](C)C1 1690095986 KVXABNRMCMZIRM-FHWLQOOXSA-N 426.630 4.654 30 10 IJEE C=C(Br)Cn1c(N2C[C@H](CC)O[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1690233681 OHZHBJFKRIHWAX-MJGOQNOKSA-N 445.405 4.660 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCOCC(F)F)CC1 1690399149 OQKFOAWPFBTMIL-SFHVURJKSA-N 434.531 4.719 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1690408277 CCBLKUTVZWOWQV-UHFFFAOYSA-N 429.446 4.689 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1690462362 FEADYYYHGHYREL-NRFANRHFSA-N 440.563 4.767 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](C(F)F)C2)cc1 1690678807 AXXXUZWAXDYIJH-GOSISDBHSA-N 428.483 4.941 30 10 IJEE C=CCSCCn1c(N2CCO[C@@H](CCC)C2)nnc1C1(c2ccccc2)CCC1 1690752808 RXUKEULXRZJYLQ-NRFANRHFSA-N 426.630 4.673 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 1693695958 DIUCOMKCHUFXGZ-XUZZJYLKSA-N 434.632 4.810 30 10 IJEE CCN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1695734415 DUCSWXMZQRIXFV-HSZRJFAPSA-N 425.602 4.641 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1705516368 ZNXJNAGWZAAHSG-UHFFFAOYSA-N 429.609 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCC1(F)F 1705586974 DFWVFZDJUNIKRX-LJQANCHMSA-N 428.552 4.777 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(COC)CCC1 1705592831 VPPCVMWVWCIMBX-UHFFFAOYSA-N 431.367 4.532 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(C)CCCOc1ccc(F)cc1 1705684428 PODJLCCONQRKOH-UHFFFAOYSA-N 449.324 4.800 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 1705730796 OHLYNZCFJSTQJN-OAQYLSRUSA-N 426.605 4.807 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)c1ccco1 1705735615 BMHGEDWCMITYAL-SFHVURJKSA-N 433.512 4.983 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC[C@@H]2CCOC2)CC1 1705766144 OMQDUWZQGCGFTE-HXUWFJFHSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCCCC)CC1 1705777353 GESPIHBPDHKEGJ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705788991 VBFPPJBJHSFXGX-AREMUKBSSA-N 435.616 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)nnc1C(C)(C)C 1705802535 NYXJLVAMFAZYDI-GOSISDBHSA-N 443.640 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1C 1705865374 LABZPCVKWXGTHX-QUCCMNQESA-N 438.597 4.880 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](OC)C1 1705940602 KDCGSGDVUZNZKJ-CQSZACIVSA-N 435.018 4.958 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)[C@H](C)CC#N)C1 1707960776 GVRRXRHPLKMJNJ-HSALFYBXSA-N 440.611 4.503 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 1722303264 OAPLYDXUTNOEIH-CQSZACIVSA-N 435.380 4.926 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(c2ccnn2C)CC1 1722310091 HEVZPKFMVSVKEK-QHCPKHFHSA-N 430.600 4.741 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1722314914 SOZSNESJAIRHRZ-HSZRJFAPSA-N 429.568 4.638 30 10 IJEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1722333858 PHQWPXKRXWBPAM-MOPGFXCFSA-N 427.618 4.549 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1CCC[C@H](C)C1 1722403873 HWTLZQSONJRVKM-SFHVURJKSA-N 444.023 4.577 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(F)(F)CC1 1722455450 SIAIQLJVXHLSHN-UHFFFAOYSA-N 436.597 4.877 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1722503189 RTABNACZQFFTBP-NRFANRHFSA-N 437.632 4.904 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC(C)C)C(C)C 1722510823 VNNIWOUKVYZPDW-MBSDFSHPSA-N 432.559 4.999 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722596974 CVDMANXYQOTSQB-UHFFFAOYSA-N 436.478 4.658 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722615911 CUDSMUFDDISGGV-OALUTQOASA-N 433.641 4.963 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1722627450 VCSQMYHCKWIKLA-UHFFFAOYSA-N 445.567 4.625 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CCc2csc(-c3ccccc3)n2)C1 1722719551 VWJVTUBTRMRRKA-NRFANRHFSA-N 437.613 4.624 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(F)(F)F)CC1 1722734955 LLIXPBORMIQELF-UHFFFAOYSA-N 441.479 4.551 30 10 IJEE Cc1cccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)c1 1724241364 BSIFBGMEJMRABG-HXUWFJFHSA-N 430.556 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(CCOC)CCCCC1 1740555698 ALIAWWSAEGJJNE-IBGZPJMESA-N 445.007 4.955 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1740573730 AWVUTJAVSYUQHY-VXKWHMMOSA-N 438.572 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(C)(C)C1CC1 1740647321 MEYXABMHRASDRU-UHFFFAOYSA-N 426.511 4.836 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@@](C)(CC)O1 1740664534 UFRUFPRMBMXGSN-WVMBUTMQSA-N 426.630 4.939 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)[C@H](C)C1 1740745848 HWNRSONGXVPGKL-QWHCGFSZSA-N 425.321 4.538 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1740782332 NKECTJNOIQBFOS-QFBILLFUSA-N 437.371 4.633 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1740805324 QITXLXJJTHZBMX-QGZVFWFLSA-N 430.921 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=C)Br)CC1 1740833597 UCHBOCYHJGTCFX-HNNXBMFYSA-N 435.341 4.868 30 10 IJEE C=CCCCCn1c(CCOc2ccccc2)nnc1N1CCCN(C(C)(C)C)CC1 1740865914 UGVPCEBUYDJEGX-UHFFFAOYSA-N 425.621 4.567 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740869195 FKFCEDKWFCEWMB-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1740911640 DPDLFMJQOGIDIQ-KDURUIRLSA-N 443.586 4.670 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@H](CC)N1CCCC1 1740916745 WNDVNTBHXKVGJR-DEOSSOPVSA-N 432.616 4.874 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740970740 BVHCEPCTYZGOPP-MSOLQXFVSA-N 437.613 4.729 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(OC)C1 1740997115 VDALPEHJGOKTRL-RDPSFJRHSA-N 444.645 4.959 30 10 IJEE Cc1ccsc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1742082070 DHOWSCCWAWWPOK-UHFFFAOYSA-N 449.605 4.887 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CC#N)c1ccsc1 1746077033 BUYHJQQIMMIUHS-UWJYYQICSA-N 440.592 4.967 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1(COC)CCC1 1748643517 WLSQPBGQMOEYOB-QZTJIDSGSA-N 430.980 4.736 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1748779827 WRHLEMLKGWQJJV-UZLBHIALSA-N 430.980 4.518 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1749101667 FHXPXDFQHJPTIX-FQEVSTJZSA-N 445.405 4.682 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749204066 VPLCBWWXHWUOLH-HXUWFJFHSA-N 448.615 4.848 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749251230 AHRJXWXIQXPPFK-MDZRGWNJSA-N 437.371 4.829 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1749396121 WQOQHRPFZLGJMV-HSZRJFAPSA-N 437.563 4.729 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1749449451 OOZYZUQVPYERQM-UHFFFAOYSA-N 437.491 4.650 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(NC(=O)C2CCC2)c1 1749573834 WAIKFYCFWGWGBI-UHFFFAOYSA-N 442.567 4.614 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)CCC(C)C)C1 1749703322 GHSNCDJFPBNQQW-WZONZLPQSA-N 432.996 4.567 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CC=CCC1 1749746528 ZZZOFGSDNIGASH-OAHLLOKOSA-N 436.423 4.747 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC1(COC)CCCC1 1760103308 CKRHEFLELCEHOK-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1CC(OCC)C1 1760103853 NDIQBTUVXJSXII-LBVWLFBPSA-N 426.630 4.795 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC1(C)C 1760132569 KRRZSPMWXQZDHD-UHFFFAOYSA-N 431.378 4.899 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1Cc2ccc(Br)cc2C1 1760137157 PDXVARGBDKZUKD-LJQANCHMSA-N 429.362 4.606 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1760275479 YDSCNNYQXFYAOL-MRXNPFEDSA-N 430.574 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760289974 UKUVHGOKFZSISV-OVNWYXPRSA-N 440.563 4.897 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(F)c(F)c1 1760317727 JQUXUUCVXCWHTM-UTKZUKDTSA-N 428.483 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CC)C1 1760320993 ADVHBFQYZNUABJ-PNCHPQGNSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1N(C)CCCC1(C)C 1760330565 HOPNPQIJNMQHBL-QHCPKHFHSA-N 447.631 4.858 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cccs1 1760348613 DVGMJECLHVRMJC-SFHVURJKSA-N 431.606 4.667 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC(C)(F)F)CC1 1760392562 UWZPGORYVOJKDR-UHFFFAOYSA-N 441.320 4.821 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCc2ccc(C)cc2)CC1 1760401916 QHPVOWIPBBKYLI-JOCHJYFZSA-N 426.630 4.816 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCC[C@H]1C 1760419527 UPOZUUFBTUIHSF-YCFYUYSTSA-N 432.653 4.930 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1CSC)c1ccccc1 1760419877 DYBZHSFSUQMPMI-PKTZIBPZSA-N 433.625 4.956 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1Cc2ccc(Br)cc2C1 1760424409 FZYKRUGOYPFNTL-UHFFFAOYSA-N 426.362 4.923 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 1760428071 OJVHTHWWDKOYSW-VQTJNVASSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760442698 GMJAEOAUFDKFOI-SIKLNZKXSA-N 438.597 4.894 30 10 IJEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(F)(F)F)C1 1760452975 TXXPPFAKJWYXAS-LJQANCHMSA-N 447.505 4.653 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CCN(CCC)CC1 1760456026 FNUUJFQSWRKLLA-NRFANRHFSA-N 425.621 4.779 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1760478266 BFJAFPZXPUHKIN-OAQYLSRUSA-N 448.615 4.842 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@H]2CC)C1 1760536201 FELDQQWADULXJI-SOLBZPMBSA-N 448.409 4.643 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1 1860860182 FFTGSFSVBQGBHK-UHFFFAOYSA-N 441.984 4.743 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)CCc1ccc(Br)cc1 1861108558 AQMGSDLIZQAIMX-IBGZPJMESA-N 425.411 4.753 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C1CCN(Cc2cccc(F)c2)CC1 1861179868 HBLYKWPNUDHWGK-AREMUKBSSA-N 447.639 4.799 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)cc1 1862470798 WFYFWYARWSRYJB-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862533899 NFVDTCGAPDZDSS-QHCPKHFHSA-N 432.520 4.734 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)c1 1862562654 KRGNXHSMRUSLLN-IBGZPJMESA-N 443.286 4.947 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 1862611490 MUEPVXLRZSCLES-IBGZPJMESA-N 446.286 4.505 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862656646 KSQOQNWPXMUOIU-NRFANRHFSA-N 449.890 4.972 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1862697555 MTVRVHCVJMDKBE-XMMPIXPASA-N 443.499 4.872 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862716851 PMABDAPTFTWASM-XDHUDOTRSA-N 445.515 4.588 30 10 IJEE CCOc1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862834901 BHUXIEGBDCNRGZ-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3cccs3)C2=O)c1 1863402583 AEZVUBSAZPVYOD-UHFFFAOYSA-N 427.529 4.671 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1cccc(C)c1 1864867135 NHZUOSIRMPDOAX-OAQYLSRUSA-N 438.616 4.945 30 10 IJEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868221141 GIWXVJMYVPBWGG-QHCPKHFHSA-N 442.542 4.774 30 10 IJEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868466814 FAFSILUNUXWKEL-UHFFFAOYSA-N 428.496 4.768 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C 1868855705 YFPAOJVVCXKKEM-VQTJNVASSA-N 435.406 4.674 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1 1869013144 JBEXYCHZYNYMKE-PMACEKPBSA-N 435.406 4.674 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870298830 MIXLIVFTFOAUJV-UHFFFAOYSA-N 443.572 4.587 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN(CC)CCO 1870342516 YEOKKVGDQCXVEY-UHFFFAOYSA-N 432.580 4.741 30 10 IJEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(N(C)C)cc2)cc1=O 1871007126 NSWOJJQXERMSDT-UHFFFAOYSA-N 429.564 4.561 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 1871374675 VYIMCEQADWFHNG-UUYOSTAYSA-N 429.428 4.976 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)c1 1871391142 NKSRKBUEQZLXFG-UUYOSTAYSA-N 429.428 4.623 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC)o4)cc(C)c3C2=O)cc1 1871438588 GNPNTTDOOQTMQF-UUYOSTAYSA-N 434.444 4.969 30 10 IJEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701238 FVLBMTLYYQFYRA-UHFFFAOYSA-N 438.624 4.734 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871776245 MNXCKCZJMLHPPB-GCJKJVERSA-N 432.561 4.754 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871873809 KANLGMPHTIENPU-JTSKRJEESA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1871972881 MBJLUOLCDULKNZ-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872280768 FOVFVYYWVWKCHJ-HSZRJFAPSA-N 428.598 4.612 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1)S(=O)(=O)CCC 1872305297 ISVDKTIRNPGFHF-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE N#C[C@H](C(=O)c1cccc(Br)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759656 VJRZIOAZCWAYNP-OAHLLOKOSA-N 428.267 4.971 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)NCc1ccccc1 1874441224 NNAOQPUKKMHPBZ-ZVHZXABRSA-N 441.626 4.527 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c(O)c1 1874451903 UMDVNUWACQDMQF-ZICLHRSZSA-N 448.907 4.508 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCC2)c1 1874497277 CVYUPIVCOAJELY-BIKZULFDSA-N 433.581 4.706 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(OC)cc1 1874510098 GIFZSGDHLBCRGH-ZVHZXABRSA-N 437.569 4.586 30 10 IJEE CCCSc1nnc(C2CC2)n1/N=C/c1cc(Br)c(OCC)c(OC)c1 1874520282 AJELZVYTXMBURE-RGVLZGJSSA-N 439.379 4.710 30 10 IJEE Cc1ccc(OCCCc2nnc(S)n2/N=C/c2ccc(Br)cc2)cc1 1874566836 QFBHGDJXOMECQL-FYJGNVAPSA-N 431.359 4.532 30 10 IJEE CCCNC(=O)COc1c(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cccc1OC 1874585469 VOHGJNXLQPAJCN-VAWYXSNFSA-N 439.552 4.937 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1Br 1874610361 OWXKRNNOHQHTIU-CSKARUKUSA-N 433.298 4.686 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3ccc(OC)cc3)n21 1875046319 KUIZTRXOURAVCU-QGZVFWFLSA-N 432.590 4.575 30 10 IJEE Cc1c(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1875127657 QRZUNQKTWCINHY-FMIVXFBMSA-N 432.388 4.927 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)OC1(C)C 1881479821 UTGSXHNVPFOAQQ-UHFFFAOYSA-N 427.353 4.828 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H](CC)c3ccc([N+](=O)[O-])cc3)ccc21 1891485020 QMHZWFMKMXAXTL-IBGZPJMESA-N 437.496 4.665 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12C[C@H]3CC[C@@H]([C@@H]1C2)N3C(=O)OC(C)(C)C 1906011352 SHZZAUHOJCAVGZ-PTMVLBRKSA-N 426.601 4.916 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)C1 1964996389 LTYYJGCVRXNBSI-KYTVRQNUSA-N 444.575 4.812 30 10 IJEE C#CC[C@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CC1 1987989910 UZHUUINTOJYFMN-YKQNXRHISA-N 444.575 4.858 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1O 2079977898 SEOUFTSNSCJPJJ-CQSZACIVSA-N 430.224 4.640 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCCC 2110499881 DRJMGXGMKMQHNJ-IAGOWNOFSA-N 443.813 4.930 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2110504281 QUGOGGRJKIYCIE-ROUUACIJSA-N 443.813 4.930 30 10 IJEE Cc1c(Br)ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1C 2180918196 HSVVSGZZJATFBA-QGZVFWFLSA-N 438.366 4.982 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CCC12CCC2 2205755430 QKPXNIRWFDDZSF-INIZCTEOSA-N 434.334 4.581 30 10 IJEE C=C[C@@]1(O)CCCN(c2sc(Br)c(Br)c2Br)C1 2216535196 XPQAVNKPWYEMIS-LLVKDONJSA-N 446.002 4.553 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)C#Cc1ccccc1Br 2227463546 OKNVWZCGMXWZHJ-KRWDZBQOSA-N 434.355 4.567 30 10 IJEE O[C@H](C#Cc1cccc(Cl)c1)c1cc(I)ccc1Br 2231079486 LEDUVMCQCOWLQF-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CCNC(=O)OC(C)(C)C)C(C)C 2235716716 GZHIEZXJIREGQE-AZUAARDMSA-N 437.422 4.966 30 10 IJEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2255542623 VDVHVBQTAHLACM-MRXNPFEDSA-N 429.316 4.705 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@@H](N)C#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2260976158 ANCLJPAKJPPITK-DEOSSOPVSA-N 439.644 4.847 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@@H]2CCOC2)c1 2281936193 KFZBBJNOKYLHRR-XMMPIXPASA-N 449.400 4.541 30 10 IJEE C=CCc1cc(C=C2SC(=Nc3ccccc3)N(CCCOC)C2=O)cc(OC)c1O 2294522389 SOROETFWHRVLEX-UHFFFAOYSA-N 438.549 4.770 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC1CCCC1)NC(=O)OC(C)(C)C 2296272771 MBVGJZLWKRJQDD-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 2296289695 URSYKHRUPSPZEH-WOJBJXKFSA-N 429.358 4.655 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2296310255 HHGLNSITAPFOSK-YZGWKJHDSA-N 435.406 4.720 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2C=Cc2ccccc2)s1 2314457104 CSMSNVNOYOUCHK-NRFANRHFSA-N 444.556 4.922 30 10 IJEE CCC1(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2317349574 FLGXKUBJGUGTHH-UHFFFAOYSA-N 429.370 4.538 30 10 IJEE CC[C@@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317357304 VYZAZQUHXAQKAA-SFHVURJKSA-N 432.370 4.798 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 2321119878 GUWFTTWUYLIXAM-UHFFFAOYSA-N 437.569 4.687 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C)n1N=Cc1c(Cl)cccc1Cl 2321178298 SGLOJICIKSWTOR-UHFFFAOYSA-N 428.389 4.516 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(N(C)C)cc1)O3)CN(CCCOC(C)C)CO2 2322024054 PZAWMMJJZRXHBR-UHFFFAOYSA-N 436.552 4.644 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 2322192730 SMRCLMCMUVXWDG-UHFFFAOYSA-N 427.435 4.670 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc([N+](=O)[O-])c1)NC1CCCCC1 2322312123 YPWIAMALMROGDY-UHFFFAOYSA-N 442.899 4.972 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cc(OC)ccc2OC)C3=O)c1 2322722489 PAUMWQYTYLZGDZ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4ccccc4F)CC3)C2=O)cc1 2324128377 UNAGNHHVSAMPEU-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1OC 2325703673 XYLXOMLWDLEYNS-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccncc1 2325808896 RESNYUHJVOIPRE-UHFFFAOYSA-N 429.977 4.949 30 10 IJEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)ccc1O 2326618113 JGXPUUFQTLEJJA-UHFFFAOYSA-N 447.358 4.628 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccccc1OCC 2326797670 QTBZMFGLESPBCF-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc(OC)c1O 2328846800 IKHXRMDRRKAFTM-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2329847150 BFYJJASSZIQHDX-UHFFFAOYSA-N 431.334 4.931 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(SCCCO)nnc1[C@@H](C)c1ccccc1 2330132750 VZWFIAONQCTCOE-SFHVURJKSA-N 446.576 4.948 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)ccc1O 2330640046 QTZXTABWCJHWSO-UHFFFAOYSA-N 434.496 4.973 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1F)NC1CCCCC1 2330676779 ORQDLTDRJCBYHA-UHFFFAOYSA-N 437.544 4.507 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)c1 2331376964 PTQKXLPWWZDKGZ-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(OC)cc1 2331491389 BZZPFDJWXNNYSA-UHFFFAOYSA-N 449.580 4.730 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2cccc(Br)c2F)OC1(C)C 2339380828 PKLZLKFWWIIFIN-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575112 RKTXMJJLNJEZCS-VPHMPFFRSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339590195 JTYKXNPABJNATI-HOYKHHGWSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339594623 XFQQGDGTHIJKBA-FPEXNTMUSA-N 441.381 4.536 30 10 IJEE Cc1scc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)c1Br 2343569917 SIBPPAAMGQNAQX-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2360197919 YMMGDYKIQRJVHJ-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE C=CCC1([C@H](O)c2cc(Br)cc(OC3CC3)c2)CN(C(=O)OC(C)(C)C)C1 2362583156 SONKGYGHUSXSEH-GOSISDBHSA-N 438.362 4.837 30 10 IJEE Cc1cc(CN[C@H]2CN(Cc3ccccc3)CC(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369635391 WRVFBGHAOLYQGB-XMMPIXPASA-N 448.460 4.685 30 10 IJEE Cc1cc(CN2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369722892 CHUYAUBCDPEFIL-IZZNHLLZSA-N 446.444 4.533 30 10 IJEE Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 2501852 WACVFNOZAPGSHU-IBGZPJMESA-N 433.533 4.927 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 21722266 QRCYECVQNIJGJM-OAQYLSRUSA-N 425.554 4.721 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(OC)c(OC)c2)cc1 28052432 JEBWQEVGETWZFD-BXKMTCNYSA-N 446.503 4.967 30 10 IJEE COc1ccc(OC)c([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 28886655 KMZFLTOLXYADAL-HUUCEWRRSA-N 427.570 4.584 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCOC)cc1 35487996 BTPKYHJOQIDRGB-HSZRJFAPSA-N 433.504 4.556 30 10 IJEE CC(C)(C)c1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccccc4)CC3)o2)cc1 36629195 CRMWDFFKGYCKQD-SDNWHVSQSA-N 440.547 4.977 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C1CCN(CCC#N)CC1 62039343 HQYIXFYCQMLWLA-UHFFFAOYSA-N 439.581 4.773 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cc(Br)c1O 72047168 FWSZWIFQWYDBIC-MDZDMXLPSA-N 427.298 4.862 30 10 IJEE COc1ccccc1N1C(=O)C[C@H](S/C(=N/c2ccccc2)NCc2ccccc2)C1=O 105533836 PVZZHULACNMBPC-QFIPXVFZSA-N 445.544 4.538 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC(C)C)c1 169980134 PVHFNAXKMMRSGI-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccccn1 169996999 UNFVHHJTZYFEGR-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE Cc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170007159 LUQQOTUIAULRFL-UHFFFAOYSA-N 433.511 4.912 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)cc1 170058871 UFQZZEXFLMUNJW-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)ccc1OCC(C)C 170208178 ADUSKYBMSCQEEN-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC)cc1 170215877 JTWQVKFGTKFLQV-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1)c1ccc(Br)cc1 170282311 LMCFXSBKLFHAHI-SFHVURJKSA-N 442.240 4.964 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)c1 170296004 MKQNXQSQVBBZQB-JOCHJYFZSA-N 435.451 4.984 30 10 IJEE C=CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(OC)cc1 252627629 RYIGDDRCSOTAKF-CUCKYGFWSA-N 439.562 4.864 30 10 IJEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@]3(O)/C=C/CO)[C@H]3CCC4=CC(=O)CCC4=C23)cc1 253618101 RCOWGILQXUPXEW-ZNAYWRJMSA-N 447.619 4.932 30 10 IJEE N#CCc1ccc(CNc2ccc(I)cc2Br)cc1 399127892 UIDXNAVPOFWCPB-UHFFFAOYSA-N 427.083 4.732 30 10 IJEE C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 483019943 OTTDWQIISRHCBW-CQSZACIVSA-N 439.566 4.503 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCSc4ccccc43)o2)cc1 489804288 HRGUXUUKCAZJNQ-OAHLLOKOSA-N 439.562 4.921 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 508485814 AFCQSTMFZYZINB-HTAPYJJXSA-N 440.494 4.769 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC(c2nccs2)CC1 508828231 OUNVPYGJJWRINY-UHFFFAOYSA-N 436.404 4.796 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508959439 FQAJMNZCQPCDKU-IBGZPJMESA-N 436.560 4.550 30 10 IJEE C=CCn1c(SCC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)nnc1-c1ccc(Cl)cc1 521542113 GRMLPYAVUVDDGK-HLVUACMISA-N 443.016 4.914 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 524159193 YXUQUHZKARHCMI-SFHVURJKSA-N 449.486 4.946 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])s2)cc1 526486401 PATRQALRBIISRC-OAQYLSRUSA-N 447.472 4.984 30 10 IJEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526816694 LFXMXAYCXGXKRE-NHDPSOOVSA-N 431.905 4.585 30 10 IJEE C=CCOc1c(Br)cc(/C=C\c2nccc(-c3cnn(C)c3)n2)cc1OCC 538753753 FPABXEMHDVPIIX-SREVYHEPSA-N 441.329 4.774 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC 545515591 DDQSBKZVNUCGPR-UHFFFAOYSA-N 434.500 4.657 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)cc1C#N 553101034 MIXYLRJTPVTHED-JTQLQIEISA-N 444.969 4.957 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CCOc2ccccc2)n1Cc1cccs1 575851483 ZBFWMLUABSLCPX-UHFFFAOYSA-N 429.549 4.517 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3sc(-c4ccc(F)cc4)nc3C)cc2C1=O 591264955 QEBIDVSTIBTQOC-ZDUSSCGKSA-N 449.507 4.531 30 10 IJEE Cc1ccc([C@@H](C)CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 610030379 PIYDWVUTRMJCQR-HNNXBMFYSA-N 449.498 4.878 30 10 IJEE Cc1cc(I)cc(NCc2ccc(Br)cc2C#N)c1 709798306 XBTHBWRCEWURKA-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccccc1Br 732900879 XTEHCJLITRWLAQ-YOEHRIQHSA-N 443.341 4.689 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 733201735 MEIMOULRRCZTQF-JOCHJYFZSA-N 445.519 4.963 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc(C)c1C 742215381 WHZGTHJFABLWFQ-QFIPXVFZSA-N 449.576 4.686 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 744838551 BXMGIZTUPBVCLH-VFNWGFHPSA-N 444.915 4.503 30 10 IJEE COc1ccc(/C=C(\C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1F 755603486 UCVAPATVVQAJJJ-YHVDPYDOSA-N 434.439 4.900 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1cc(Cl)cs1 783811171 TXHQEGDJPFUFLY-OAHLLOKOSA-N 427.776 4.683 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2C)n1 788596243 MFWTYMCEBDXRBR-UHFFFAOYSA-N 436.943 4.826 30 10 IJEE C=CC[C@@]1(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)CCCN1C(=O)OC(C)(C)C 791718677 UKOUUFXOPNAJRY-QKKBWIMNSA-N 433.530 4.748 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1)c1nc(-c2ccccc2)cs1 1124413230 DNRVXHGNLZLWHC-SFHVURJKSA-N 435.524 4.830 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)cc1 1127170414 DOMGGROIRNVVNT-OAQYLSRUSA-N 445.519 4.774 30 10 IJEE C#CCOc1ccc(COC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 1127867097 LBLYWAZRVBRYKY-VWLOTQADSA-N 427.500 4.612 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1 1131565439 RXRJHLCGXFWVTP-FQEVSTJZSA-N 432.383 4.950 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 1143752688 ACOOZQDRKGPMBN-NRFANRHFSA-N 444.535 4.785 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C 1153763709 DEEZTEIKGAEOEG-UHFFFAOYSA-N 430.352 4.575 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 1157857767 MTBOQCJKVXVUII-OAHLLOKOSA-N 442.478 4.647 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)c2c1 1162936230 GDBFIQXJAOZEIT-AWEZNQCLSA-N 426.879 4.607 30 10 IJEE C=CCn1c(SCCOC2CCSCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164430850 SPGFIPDXCDGCLM-AWEZNQCLSA-N 436.668 4.773 30 10 IJEE CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1ccc(C#N)cc1 1167247567 BLRATHCHGJMQRQ-UHFFFAOYSA-N 429.568 4.891 30 10 IJEE COC(=O)c1cccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1C#N 1167749173 ALJSKDDTQYYFFG-FQEVSTJZSA-N 446.334 4.645 30 10 IJEE C=CCc1cc(CNc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc(OC)c1O 1178682816 VRRKNYKCUHKEGO-UHFFFAOYSA-N 444.597 4.695 30 10 IJEE C=CCOc1ccc(CNc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1Cl 1202300463 YHYABLAWRVFJNU-UHFFFAOYSA-N 432.929 4.588 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc1 1210341082 UEEUNLLUNNDQOS-JOCHJYFZSA-N 429.513 4.736 30 10 IJEE CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1cc(C#N)c(F)cc1F 1219883099 DHSYIRASWOICMZ-UHFFFAOYSA-N 446.763 4.611 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 1264834876 WNSWUIRCSLIBRL-XXBNENTESA-N 434.337 4.862 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1cccs1 1286360151 QGZLOBGNHGYBLU-IBGZPJMESA-N 443.617 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCOC1CCCC1 1286518135 BPAREKCOSKKBQG-KBMIEXCESA-N 440.563 4.899 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286588516 SBPYIOMMMNEMDX-KRWDZBQOSA-N 445.995 4.916 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCCN2CCCC)CC1 1286647681 MDCJZOAVYJJIHA-FQEVSTJZSA-N 443.586 4.958 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C1CCCCC1 1286688177 WCQHLOSSOZSJGC-UHFFFAOYSA-N 434.588 4.707 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCNC(=O)OC(C)(C)C 1286714041 KSSSNBGJYRCTMZ-IBGZPJMESA-N 443.592 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(C)COC1 1286747078 HDOKEYNEXOHMBD-KRWDZBQOSA-N 442.560 4.848 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccsc2Br)[C@H]1C 1291154868 HIRNUSWTUUDEST-KBPBESRZSA-N 442.386 4.924 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1300813888 UGSIXQLQBGQUBB-FMGHJNRGSA-N 447.671 4.814 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1300830937 OCSRVUFQQQAGTP-XYPHTWIQSA-N 437.357 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1300877550 YMERTDBWYRZKCU-HARLFGEKSA-N 440.588 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC12CCOCC2 1300905021 JNRCXDIHCCQAIP-GOSISDBHSA-N 445.405 4.927 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1300963298 RSWOSBPOQAJAAO-GOTSBHOMSA-N 437.632 4.832 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN(C)C2CCCC2)CC1 1301106362 SREPMQCFXKCVPB-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1301245539 DSZYWFWXOPHOMB-GOTSBHOMSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCN1CCCC(C)(C)C1 1301346607 GQNPPTVKCBRMQY-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)C[C@@H](C(F)(F)F)O1 1305148054 GXFSFFGSNNQYFJ-UZLBHIALSA-N 447.505 4.943 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(OCc2ccccn2)cc1 1305476524 GTCVZGKIRANYFR-RXFWQSSRSA-N 444.583 4.944 30 10 IJEE CCC1(Cn2c(C(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)CCOCC1 1305898388 FMQZSKYPQUGTMB-UHFFFAOYSA-N 437.588 4.528 30 10 IJEE COc1cc(C#N)ccc1OCCN(CC(=O)Nc1ccccc1)c1cc(C)cc(C)c1 1307561958 HEWZIKJCOATZJU-UHFFFAOYSA-N 429.520 4.708 30 10 IJEE C#CC[C@@H](NCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 1307632125 HEXWSPOJTIJYGM-VPUSJEBWSA-N 437.543 4.727 30 10 IJEE C#C[C@H](N[C@@H](C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1)[C@@H]1CCCO1 1307703147 ORFBLWGTCGSATN-ACIOBRDBSA-N 431.561 4.569 30 10 IJEE C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1=O 1310360372 DBIRVPJCJIKBFN-ORAYPTAESA-N 448.420 4.590 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 1310373932 DKRKQBNOXVMKOZ-MRXNPFEDSA-N 431.305 4.697 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)cc1C#N 1310458447 GSVSDWVDSRIGPB-GOSISDBHSA-N 444.532 4.635 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1312732174 FFAABWTXURHJBK-WOJBJXKFSA-N 436.506 4.630 30 10 IJEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)C1 1314270454 GYQGHLUBIXKIBN-BJKOFHAPSA-N 444.583 4.657 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(OC)c2Br)CCCN1C(=O)OC(C)(C)C 1343612418 WTRBXHBSCHXUGE-HXUWFJFHSA-N 439.350 4.742 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c(C#N)c1C 1348443543 GQOUCFCKBRYDSW-UHFFFAOYSA-N 447.560 4.989 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(Cn2cc(Br)cn2)cc1 1350765533 IRCHCXZWZDONIG-UHFFFAOYSA-N 427.298 4.650 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1351726682 YVSQGSRSAVXLPN-HXUWFJFHSA-N 428.451 4.547 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(Cl)c3Oc3cccnc3)cc2C1=O 1356273523 CULKXHQIGGMGDX-UHFFFAOYSA-N 433.851 4.562 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1csc(C(C)C)n1 1358940927 RYXUQVYMFADTAL-UHFFFAOYSA-N 430.581 4.694 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cc(C)on1 1359129061 PKORZGSLVLBKJW-UHFFFAOYSA-N 436.343 4.777 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@](C)(O)CC)CC1 1359167620 NEXICAKKBNZMIM-QHCPKHFHSA-N 432.996 4.569 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCC(C)CC2)CC1 1359173240 ADBPODZKHIALBP-FQEVSTJZSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)c2nc(C)cs2)CC1 1359179700 CPFMVWDAQDPMCB-KRWDZBQOSA-N 437.613 4.849 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(CC)C1 1359263416 BALKUYSRMFYUBE-LJQANCHMSA-N 439.604 4.604 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@@]1(C)OCCc2sccc21 1359273860 QXZAKGFZLAAIKZ-JOCHJYFZSA-N 426.611 4.658 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1359284733 JNCBZXIJVRNNRR-INIZCTEOSA-N 437.569 4.905 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1359290929 WSMDRBXTFIYPDM-DFQSSKMNSA-N 430.618 4.630 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC[C@@H]2CCO[C@H](C)C2)c1C 1360865649 GCDXRZAVVBFFGQ-UGESXGAOSA-N 439.604 4.979 30 10 IJEE C=CCC[C@@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)c1ccc(C(F)(F)F)cc1 1435632965 BXCPAVHKDRJSGC-XSLBHYSZSA-N 427.444 4.539 30 10 IJEE N#Cc1cc(F)cc(C2(C(=O)NCC3(c4ccc(Br)cc4)CCC3)CC2)c1 1442076833 AVBLJNNXQCJLKP-UHFFFAOYSA-N 427.317 4.730 30 10 IJEE C#CCONC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)C[C@@H](C)C2 1453279771 JOVDKFLDGPVBNN-KAKMCVKYSA-N 442.515 4.670 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 1464288086 CQZVRSMDNPOOBW-UHFFFAOYSA-N 442.890 4.874 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC)c1ccc(F)cc1 1468327625 DJHMDKYTMYCZGE-QHCPKHFHSA-N 425.463 4.791 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1OC 1468362200 TYNIIMJKROQMHZ-VQTJNVASSA-N 448.567 4.834 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21)c1ccc(Cl)cc1F 1470664855 AEHUWYBWILDYSP-QXCFHYIPSA-N 433.708 4.553 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3C[C@@H](c4ccccc4)C[C@@H](C)C3)ccc2c1=O 1472578493 RDUBDAMHMCXWRN-LSTHTHJFSA-N 433.577 4.573 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CC(Oc3ccc(C#N)cc3)C2)cs1 1474569553 DMNRTMNSBFJSII-UHFFFAOYSA-N 432.549 4.579 30 10 IJEE C=CC(C)(C)CCCNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 1475646793 ZTUQUXZSCSUDSG-LOSJGSFVSA-N 440.653 4.875 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)cc1 1476082545 CEFPLQCNMXGBOB-VGSWGCGISA-N 431.492 4.645 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(C#N)cc1I)c1ccccc1 1477094435 VZARVZLBPINBTG-QGZVFWFLSA-N 431.277 4.992 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1477299702 RIEXWGJGPIUBIZ-AHRSYUTCSA-N 437.506 4.803 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1sccc1C 1495638080 DVNXZNFPANRSON-LJQANCHMSA-N 448.640 4.993 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1505227895 DVMSDANWQBAKLW-SLFFLAALSA-N 440.661 4.515 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1[C@@H]1C[C@H]1CCC 1507703936 JVASFSBWEGOCOM-WOJBJXKFSA-N 435.597 4.824 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCN1CCCCC1 1507773030 XJOBWSBURTVOAK-RUZDIDTESA-N 437.657 4.747 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1507811398 QQPOUPOEXGZRTL-RDPSFJRHSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)c(OC)c1 1507818450 MPUAEMGQMOOKNB-UHFFFAOYSA-N 444.377 4.803 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1507822552 CZKFYBIXEXDZLW-MRXNPFEDSA-N 444.352 4.820 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1507827250 CBVSSPKQQMIEMJ-HXUWFJFHSA-N 432.959 4.900 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1507913530 TVQFOCOSVVEXFX-UHFFFAOYSA-N 439.995 4.942 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CCOC)C1)c1ccccc1 1507924456 NTDDMRXACUTSMI-GGAORHGYSA-N 431.584 4.871 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507941801 LTLCXXXODYMPLK-QGZVFWFLSA-N 444.505 4.532 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](C)N(C)Cc1ccccc1 1507987341 YYJGUKPSWLRFSO-YMPZKCBVSA-N 439.648 4.730 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)N(C)C1CCCCC1)C1CC1 1507991305 URXGTYOUJNYGPH-UHFFFAOYSA-N 445.970 4.684 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1508009614 UHDXDJYROLREGJ-UHFFFAOYSA-N 449.971 4.621 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1Cc1conc1COC 1508009753 YVLQHXZMPWIUMP-UHFFFAOYSA-N 435.553 4.690 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)s1 1519129565 ACZGADVABRUZME-UHFFFAOYSA-N 447.564 4.789 30 10 IJEE C[C@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1519603982 AEHADPYOSQJEPY-LBPRGKRZSA-N 428.311 4.850 30 10 IJEE C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1520125413 ATVUOLOOCBIQNB-LLVKDONJSA-N 446.301 4.989 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1C(F)(F)F 1521376158 HLQSUQATUMPYHR-LJQANCHMSA-N 445.441 4.732 30 10 IJEE Cc1cccc(F)c1-n1nc(C(=O)Nc2cccc(C#N)c2Br)c2c1CCC2 1525920029 DQXKSSZMIKJWOH-UHFFFAOYSA-N 439.288 4.695 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(I)cc2)c1 1527975446 SCRZNGOEJHSDAE-UHFFFAOYSA-N 427.241 4.713 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 1528714827 XZPMDZFTHIUSKF-XMMPIXPASA-N 433.573 4.886 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC2(C)C)ccc1Cl 1532000258 YXYXFRDLVOTESK-FQEVSTJZSA-N 432.973 4.640 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C 1535744644 QSZXSDSWJFAEDF-ZLNRFVROSA-N 437.584 4.889 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1c(C)cccc1C 1539158548 CXOFBEMDNDWHHY-UHFFFAOYSA-N 429.387 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1ccncc1Cl 1539569547 QEPKKEJSSDGOID-HSZRJFAPSA-N 438.000 4.968 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3C(F)(F)F)CC3CC3)cc2C1=O 1539838322 CVIZEAALVMERBA-UHFFFAOYSA-N 442.437 4.540 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(N(C)C)CCCCC2)CC1 1539882182 GRNGBEOUWBTLQZ-UHFFFAOYSA-N 429.012 4.660 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539989342 UUXOFKWGDHLVMA-MRXNPFEDSA-N 428.943 4.821 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1540121049 PPPBLNDFBISRQJ-LEQUEVMJSA-N 433.600 4.797 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC[C@H]1CCO[C@@H](C)C1 1540122499 VRCUKESTEWKDAS-SFTDATJTSA-N 442.567 4.610 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nccn2C)cc1 1540639060 YWEVFACVIDLIPK-GOSISDBHSA-N 430.574 4.759 30 10 IJEE CC[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)N1CCc2ccccc2C1 1543678243 FIMCLZZYHGVSAF-SANMLTNESA-N 439.559 4.704 30 10 IJEE COCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1555298521 BFBAGECHXGCCPK-INIZCTEOSA-N 433.959 4.930 30 10 IJEE CC(C)C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)CC(=O)OC(C)(C)C 1557608591 GRPSLEUWWFGGTH-IBGZPJMESA-N 438.572 4.588 30 10 IJEE N#Cc1ccc(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c(OC(F)F)c1 1559882996 BDMVPONURYFOTK-SFHVURJKSA-N 428.357 4.632 30 10 IJEE CCCc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cnn1Cc1ccccc1 1583294469 GDPBULKBLIEXHT-UHFFFAOYSA-N 444.926 4.847 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1cccnc1)C(C)C 1587594710 XVUXTENUGUWGEY-DYESRHJHSA-N 437.975 4.900 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1587711608 BYGKKBOVNBMWBU-PGRDOPGGSA-N 436.581 4.785 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1587817720 DTQGKYRNRVFFBM-RBUKOAKNSA-N 444.526 4.603 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(Cl)cc1OC 1587932397 RMOICJSMMBPLIX-OAHLLOKOSA-N 441.000 4.911 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1587936978 DNQCKKOHKIDASX-UYAOXDASSA-N 445.405 4.537 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCOC 1589506451 WKIPIWVZNAEUTH-HNAYVOBHSA-N 439.387 4.706 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(F)cc(F)c1 1589560440 ZLOHPXADGIYKEA-WMZHIEFXSA-N 430.543 4.907 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1)c1ccccc1 1594544141 HETPKEGXUHYQNB-FGZHOGPDSA-N 439.604 4.551 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1594923113 ICWKCOPEHDBTKW-DENIHFKCSA-N 442.604 4.816 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)C1CCCCC1)C1CC1 1595065056 HVCRUKNBIBOYSG-SANMLTNESA-N 438.616 4.960 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C 1595171769 YJQOSQXUNKFNFC-NJDAHSKKSA-N 433.710 4.896 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(C(F)(F)F)c1 1595222513 CJNIHAFOYFUHJJ-UHFFFAOYSA-N 431.437 4.649 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H]2CCC[C@H](C)C2)cc1 1595639637 FSKWQQCEDRIGGY-CVDCTZTESA-N 448.615 4.768 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1ccccc1SCc1ccc(Br)cc1 1595807378 GDHGXJIHDTZNLK-SFHVURJKSA-N 432.383 4.900 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 1595885364 MMVGYKMXCPKIMD-FQEVSTJZSA-N 434.334 4.605 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1 1596205673 OFUHYJWYTCXIIR-QZTJIDSGSA-N 447.000 4.839 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@H](C)C1 1596805938 AGBKJEHVWIZSOG-RRFJBIMHSA-N 434.357 4.879 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 1596886674 PAGLDNGMRIEYIW-FQEVSTJZSA-N 429.314 4.928 30 10 IJEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C(C)C)CCC(F)(F)F 1615637593 AHPMDYJPZIGUCP-FQEVSTJZSA-N 448.537 4.716 30 10 IJEE C=C[C@H](C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O)c1ccccc1 1616527429 RETGDJJGAONXSD-SFHVURJKSA-N 432.358 4.527 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)OCC 1618041103 JAIWIWJWSVRFGE-AEFFLSMTSA-N 448.972 4.507 30 10 IJEE CC(C)[C@H](CNS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccc(Cl)cc1 1622110321 BZPKRBVYRUSQSO-KRWDZBQOSA-N 441.778 4.692 30 10 IJEE Cc1nc(CC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)CC2)no1 1622944850 FKEDXAHMRFBJGK-UHFFFAOYSA-N 431.496 4.837 30 10 IJEE C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)Oc1ccc(Br)cc1 1623028988 BUXXMHYYBCWLSK-LLVKDONJSA-N 440.244 4.511 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc(Cc2ccccc2F)no1 1625862851 ALNGWACNTWDFCI-UHFFFAOYSA-N 444.491 4.752 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cc2n1 1626676343 YHACBXVVLYFVEK-FQEVSTJZSA-N 443.334 4.772 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)NCC2(c3ccccc3)CCCCC2)CC1 1629469823 FLDIYSNEODCWNT-UHFFFAOYSA-N 432.568 4.845 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(CN3CCCCCC3)cc2)cc1OC 1631307697 XMFINTRPMLXQNZ-SQFISAMPSA-N 434.580 4.966 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cncc2ncn(C)c12)c1ccc(C)c(C)c1 1633065792 CEPLVFYXLATALJ-UHFFFAOYSA-N 426.520 4.997 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1636821870 KWEHGNRQSFUCNN-NJDAHSKKSA-N 431.552 4.669 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 1636892253 QDALCVVUFZRXFN-OQEHDIDLSA-N 449.636 4.615 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(=O)c1cccc(Oc3ccc(C#N)cc3)c1)C2 1651089383 GPFNTJSJSPQOOX-UHFFFAOYSA-N 447.535 4.824 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)nnc1-c1ccc(OC)cc1 1651596868 QINFBRAPEBWXCX-OAQYLSRUSA-N 448.592 4.963 30 10 IJEE C=CCN(Cc1nc(CCc2ccccc2)no1)Cc1cc(Br)ccc1F 1653290245 WVPUDRDQPLTSSD-UHFFFAOYSA-N 430.321 4.945 30 10 IJEE C[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 1653690293 CABRGNFXYNINSJ-JBYIUTFZSA-N 445.485 4.803 30 10 IJEE CCOc1cccc([C@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)c1 1657984657 FVZAMFSWBZWMHK-KRWDZBQOSA-N 434.515 4.793 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(Cl)ccc1N1CCSCC1)C(C)C 1658917497 HPOCAVMQLWMRSP-NRFANRHFSA-N 437.053 4.713 30 10 IJEE Cc1cc(S(=O)(=O)NCC(C)(C)c2ccc(Br)cc2Cl)ccc1C#N 1662131223 FSTGHMGWZFZJKD-UHFFFAOYSA-N 441.778 4.539 30 10 IJEE C#CCN1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1 1663263923 NZAGXUKLNVOIHL-RUZDIDTESA-N 442.607 4.761 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 1667559033 UMEAISMXJCLQKC-UHFFFAOYSA-N 432.499 4.640 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 1669347116 QAXKMKWKZYAJJY-HNNXBMFYSA-N 435.293 4.930 30 10 IJEE CCN(CC)[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)Cc1ccccc1 1670745411 GLHAUYSEGOWEKV-LJQANCHMSA-N 434.462 4.531 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 1673381199 KGHSVMHTHDIDEC-PZJWPPBQSA-N 448.325 4.986 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1675018555 ODZUQYQKGHMGLQ-UHFFFAOYSA-N 432.451 4.516 30 10 IJEE C=CCCC1(CNC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CCCC1 1675616502 LGXFGXVPHGIQRF-SFHVURJKSA-N 443.592 4.849 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@H]2Cc2ccc(OC)cc2)cc(OC)c1OC 1676274601 DHSOYHWFLBTAJW-QFIPXVFZSA-N 438.568 4.748 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 1677003313 XZMOQBRWGZMBQU-HXUWFJFHSA-N 444.531 4.847 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1)c1ccc(Cl)cc1 1682352558 PGEZBTZFUPEXNB-JWQCQUIFSA-N 448.950 4.968 30 10 IJEE Cc1ccc(Br)c(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 1683409355 AJLQLBMVDOAJEO-UHFFFAOYSA-N 446.320 4.521 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(C)c(Br)c1)c1ccc(Br)cc1 1686921863 USTRYARREFLPGN-QGZVFWFLSA-N 436.147 4.694 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccco1)C(C)C 1689940687 ALUPBSQMAJCLMX-FQEVSTJZSA-N 441.576 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H](C)c1c(C)noc1C 1690214584 OSJNNQZMJUXIDP-WXTAPIANSA-N 447.583 4.820 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1C(F)(F)F 1690225476 AEGKLHSAILIEBC-UHFFFAOYSA-N 440.267 4.837 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccnc2OCCCC)CC1 1690367165 DNSZBHLXICADTL-UHFFFAOYSA-N 448.527 4.632 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1690462883 QPTLIVMIASNEIA-ZJSXRUAMSA-N 445.007 4.713 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@H](C)C1 1690500260 PQZLZLYJIATZCX-GJZGRUSLSA-N 439.423 4.844 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCCN1CCCC1 1690587013 XOHWKZUNPTZJPR-UHFFFAOYSA-N 448.384 4.511 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](COCC)C1 1690736443 DVKGSKJVRXRTDM-SFHVURJKSA-N 426.586 4.863 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncccc1C 1695729229 GXVBDLBDXOUALT-UHFFFAOYSA-N 428.565 4.699 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N(C)CCCc1ccccn1)c1ccccc1 1705744081 QBQJQBOSAMUQFG-UHFFFAOYSA-N 444.608 4.811 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1705757178 BYRNSFHCQTYTQW-UHFFFAOYSA-N 427.763 4.724 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2)CC1 1705807554 HEOUIFPMBKJSCV-UHFFFAOYSA-N 425.596 4.819 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCOC2(CCCCC2)C1 1705809520 UDDPGUMKFKQJNH-UHFFFAOYSA-N 428.552 4.892 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC2CCCCC2)CC1 1705824459 QNNOYTRENJGJOT-DHIUTWEWSA-N 443.680 4.865 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1nc(C(F)(F)F)cs1 1705865057 QFBMVTBMGDEWAZ-UHFFFAOYSA-N 425.455 4.696 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 1712033087 BJPFSKWXIWVKGZ-HQHQBECKSA-N 439.629 4.742 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2cccc(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 1722323454 UDTQLFDREZKBRE-ZEQKJWHPSA-N 436.600 4.772 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722325876 CCAWMDGXWQKLOX-YYWHXJBOSA-N 428.552 4.610 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722416053 UFJIBXNZUHDQBJ-ICSRJNTNSA-N 445.489 4.557 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1722453783 CBYGWWBXZSKPPA-IBGZPJMESA-N 438.622 4.593 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(CCC)CCC 1722455430 RYIOBIZPXGPVAA-UHFFFAOYSA-N 427.437 4.762 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)[C@H]1C 1722456546 WRNNGNIPBPIUFA-KGLIPLIRSA-N 441.453 4.949 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCCCc1ccccc1 1722497525 XFXMJDIISFCNRR-LADGPHEKSA-N 431.584 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1SC 1722504184 FDARDQZPRAZMLO-UGKGYDQZSA-N 437.613 4.623 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1cccs1)C(C)C 1722510570 SQOSAHUOKOJPTJ-NZQKXSOJSA-N 437.613 4.722 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCc1cn2ccccc2n1 1722513975 PPNATBALFNVAGS-UHFFFAOYSA-N 434.975 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@H](F)c1ccc(Br)cc1 1722525881 COABTMTVHPJGGI-KRWDZBQOSA-N 445.340 4.611 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H]1CCOC1 1722528527 IECXNTISNCYJSB-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@H]1CC 1722530555 WRCRROCRYZAZFC-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1SCCc2ccccc21 1722595441 PSJOIGQERQZWBC-JOCHJYFZSA-N 436.629 4.892 30 10 IJEE C=CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722609259 CQXIJYKVBQWKRU-JOCHJYFZSA-N 438.616 4.907 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CC1(C)CCOCC1 1722662041 DWDIMAQIVPSNQG-UHFFFAOYSA-N 443.642 4.705 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCC1CCN(CC)CC1 1722664358 XLLGLVRRDKUSEI-QFIPXVFZSA-N 443.661 4.896 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1722741978 CUOOOGJTTUZPMY-JOCHJYFZSA-N 435.597 4.533 30 10 IJEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(CC(C)C)C2CCCC2)cn1 1724366691 DBLUISYUOBIIGW-UHFFFAOYSA-N 444.583 4.886 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](SC)C(C)(C)C)C1 1729100750 GZRZOULVKGSQSQ-FPOVZHCZSA-N 441.645 4.847 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1740581129 QEAJJRWZWDFQPY-VGOFRKELSA-N 429.927 4.544 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Cc2ccc(F)cc2)CC1 1740675701 UMZTVYIBUKWPQA-FGZHOGPDSA-N 438.591 4.818 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)CC1CC1 1740753456 KGGVXVHTEBPTDS-APWZRJJASA-N 448.409 4.643 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 1740794030 YXPMSEZYSKULBX-LJQANCHMSA-N 437.588 4.985 30 10 IJEE C=C1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OC)c(Br)c2)CC1 1740818152 DICZKDIQHYEPRQ-UHFFFAOYSA-N 433.394 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](N2CCCC2)C1 1740849177 AKFKPVCQJZPNEV-QFIPXVFZSA-N 437.632 4.544 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1740854446 GUWOBIHIOTYZHK-XPWALMASSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1cnccn1 1740859040 FOICWCUOXCPSBK-UHFFFAOYSA-N 441.377 4.533 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](c2ccco2)C1 1740870231 KHXILEQQDBENCR-QGZVFWFLSA-N 438.528 4.524 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C(C)C)N1CCCC1 1740892531 XBVDBQYIETULRE-FCHUYYIVSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H]1CC[C@@](C)(CC)O1 1740914486 GEAPLHZYNBFJGF-ZEQKJWHPSA-N 442.567 4.752 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1ncnn1C(C)(C)C 1740918960 XWFRQYKFOZMUAW-UHFFFAOYSA-N 447.612 4.518 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1Cc1ccc(-c2nc[nH]n2)cc1 1740922361 DWETXGPYYHEZCL-KRWDZBQOSA-N 433.585 4.879 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCC 1740939178 RUCUCAXFSIAMDW-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc2c(s1)C[C@H](C)CC2 1748654073 DTHFVVSJXCVHOT-ZIAGYGMSSA-N 443.979 4.825 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCN1CCCC1 1748917698 JEOJFKFJNKDLGH-UHFFFAOYSA-N 437.588 4.758 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC1CCN(CCC(C)C)CC1 1748918427 FDRPAYYZJHHRSF-UHFFFAOYSA-N 444.627 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCc1cn2ccccc2n1 1749165601 KKDQJIQCVCJFEM-UHFFFAOYSA-N 444.583 4.767 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2ccc(F)c(Cl)c2)nnc1[C@@]1(OC(C)C)CCOC1 1749281615 IPFASLSOHANVSO-HXUWFJFHSA-N 443.350 4.500 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749393553 ZKOARFPMBTVTBT-OALUTQOASA-N 428.577 4.711 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2c(F)cc(F)cc2C1 1749404047 QATNHDJOIJPHSP-UHFFFAOYSA-N 429.540 4.831 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1749411906 HOPCGBODOKMHMJ-AZUAARDMSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749436944 AJXQBYLVPLUKIC-UGKGYDQZSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCc2ccccc21 1749544768 NGXJURYXHBSSOR-HXUWFJFHSA-N 449.624 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCOc1ncccc1Cl 1749553279 IJNBLWDPQLUBGA-UHFFFAOYSA-N 429.977 4.927 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C(C)C)cs1 1760107794 XINHLAXBIJMDLL-AWEZNQCLSA-N 429.977 4.693 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1760229169 GFXUYPTVFRVFMW-OALUTQOASA-N 428.024 4.815 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1nc(C)cs1 1760231178 VKBLXAMMHGFOIO-AWEZNQCLSA-N 444.402 4.736 30 10 IJEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCC(C)(C)C)CC1 1760265760 IROGYQQJPNCPPZ-HSZRJFAPSA-N 449.643 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@H](C)C1 1760340345 VIMYRGXIFWNPLK-WCIQWLHISA-N 431.625 4.887 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cccn(CC)c2=O)CC1 1760385737 WREJLJTXAKZRGP-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOCC(=C)C)CC1 1760398163 NBUHEAQZJZRRMO-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(CO)CC1 1760433622 IYDBSMQJOLGTRN-UHFFFAOYSA-N 439.785 4.536 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1760469923 JCDVGONJZAKLDK-QGZVFWFLSA-N 448.571 4.711 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC[C@H](C)N1CCCCC1 1760479404 NRDVQSBJWVELBT-NRFANRHFSA-N 443.599 4.602 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1762498461 BKPQACFDZSIOAT-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(CC(C)(C)C)nnc2N(C)[C@H](C)CC#N)CN1Cc1ccccc1 1762739697 FKAXXEMAZMMZIV-MQSCRBSSSA-N 436.648 4.906 30 10 IJEE C#C[C@H](NC(=O)NCCc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 1772509799 UMFDCCPCWUJUDV-KRWDZBQOSA-N 426.141 4.972 30 10 IJEE COc1ccc(OC)c(/C=C2\SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c1 1772738629 QBGPJBHVWRYXCR-NVGQKUQCSA-N 444.582 4.800 30 10 IJEE COc1ccc(C=NN=C2S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1OC 1772757664 IQZGQXWPLDKIGU-KGXKECERSA-N 447.516 4.803 30 10 IJEE COc1ccc(/C=C2\SC(=NN=Cc3ccccc3F)N(Cc3ccco3)C2=O)cc1 1772758728 CEPXXIMYXPOWPA-JWZGDWNOSA-N 435.480 4.934 30 10 IJEE Cc1c(OCC(=O)OC2CCC(C(C)(C)C)CC2)c(=O)ccn1Cc1ccccc1C#N 1857918282 JSLYKDKYGSAVDU-UHFFFAOYSA-N 436.552 4.604 30 10 IJEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)c1 1858841037 DTZYIKWCYLNNHW-QGZVFWFLSA-N 429.480 4.620 30 10 IJEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n(Cc2ccccc2F)n1 1859414544 WZTWGLRBRXTPRO-UHFFFAOYSA-N 441.422 4.770 30 10 IJEE Cc1nc(-c2ccccc2)ccc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 1859760499 KQIFISIZZVRRTG-UHFFFAOYSA-N 430.471 4.915 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccn(CCC)c1=O)[C@H](C)CC 1861283799 GFSQFXWEYGNVFH-IRLDBZIGSA-N 433.637 4.660 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C)cc1 1862380111 TXWGWXOZPKWSEJ-LJQANCHMSA-N 434.319 4.917 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862416021 JHRYAKUOPAFCCH-QGZVFWFLSA-N 425.353 4.972 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(=O)OC)cc1 1862449556 NXIOPTHRRCYOHM-BFUOFWGJSA-N 427.884 4.503 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cccc2ccccc12)c1ccc2c(c1)CCCC2 1862548895 BUBAXZLVECFCOY-VWLOTQADSA-N 441.527 4.679 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCO)cc1 1862581208 BNLHHECOLNEIKR-IBGZPJMESA-N 434.319 4.517 30 10 IJEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c(O)c1 1862591623 KTQIMYUOJHHTLQ-QFIPXVFZSA-N 439.508 4.742 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862592155 WMPVWABQOXIGPI-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1F 1862645971 UWKWZTNVSYKKNB-SFHVURJKSA-N 436.266 4.882 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1O 1862654326 ZCWJHUVBOJPHBB-QHCPKHFHSA-N 431.488 4.788 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1 1862721867 KTLPZGLDBGQLHG-VWLOTQADSA-N 440.543 4.884 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N(C2CC2)C1=O 1863750932 OTICIACUTWYVHR-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@H](C)C2)nn1-c1ccc(OC)cc1 1869938598 JCYJICMKUCZWKG-KDURUIRLSA-N 443.592 4.579 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2F)n(-c2cccc(Cl)c2)n1 1870002846 WWVXZJMIPMIKBJ-UHFFFAOYSA-N 447.848 4.769 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc4ccccc4c3)cc2)CC1 1870147337 KCGPBOFSXUYDMH-UHFFFAOYSA-N 436.519 4.781 30 10 IJEE CCc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1870157174 PEMNYQHOJYCPDR-UHFFFAOYSA-N 444.322 4.806 30 10 IJEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN(CCOC)CCOC 1870609682 KPZMSDXLWMXTSQ-UHFFFAOYSA-N 436.637 4.649 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870830564 VKYZJCBYWPMGHL-UHFFFAOYSA-N 431.533 4.754 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(F)c(F)c1 1870972232 PRPTYAZOVOMYGE-UHFFFAOYSA-N 449.542 4.614 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871005766 XSISYLIEFGIHOY-UHFFFAOYSA-N 441.575 4.705 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871168102 ZVDNCDQQWRKWJU-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE Cc1cc(OC(=O)c2ccc(/C=C/C(=O)O)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871382115 KZSLNJIRUCJCFK-DUTWELIKSA-N 432.453 4.990 30 10 IJEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871387168 IDULQVNXHABPID-FMCGGJTJSA-N 444.439 4.958 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c(OC)c1 1871419818 JVNFSHZJKOLNGZ-MSXFZWOLSA-N 445.471 4.646 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 1871440868 LQPAFTHXMCBGNA-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871462563 UZUZJFHLYWCTFW-KQWNVCNZSA-N 430.456 4.612 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872211896 OXWUHGPMUKFDKG-JOCHJYFZSA-N 446.588 4.963 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 1872784247 REXMXYSQPHLZEE-YPHWWSSASA-N 435.461 4.625 30 10 IJEE N#Cc1cccc(NC(=O)c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)cc2)c1 1872885796 SNALXXVTGRAVMV-WEVVVXLNSA-N 436.559 4.642 30 10 IJEE Cc1sc(C2=C(N)N(c3ccc(N4CCCCC4)cc3)CC2=O)nc1-c1ccc(F)cc1 1873529895 POINBICHTMMAMR-UHFFFAOYSA-N 448.567 4.965 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2c(N(CC)CCCC)ncnc21 1873654702 RDKWPTIKQLCCRX-UHFFFAOYSA-N 436.516 4.713 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874257803 UEECWTHHWKWCPT-HYARGMPZSA-N 425.514 4.712 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1 1874416909 OHUJSTPLGLRGDQ-LFVJCYFKSA-N 429.505 4.952 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C2CC2)c1 1874516196 LAGPOIPDBGQRJQ-MFKUBSTISA-N 449.580 4.730 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)c(C)c1C 1874626556 KUXPDQJTGYTTEW-RMKNXTFCSA-N 441.480 4.694 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874696994 QOIGOJKHUFRQLD-LFYBBSHMSA-N 448.471 4.836 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)c1 1874704715 XZZIOFWLMOALLM-JXMROGBWSA-N 436.435 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c(OC)c1 1875178823 DODSUWLTUADANP-NTEUORMPSA-N 447.443 4.656 30 10 IJEE N#Cc1ccc(F)c(C(=O)N2CCC(c3ccc4cc(-c5cccnc5)cnc4n3)CC2)c1 1891374678 VCKRGYZQBOBCMQ-UHFFFAOYSA-N 437.478 4.722 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccc(OCc4ccc5ccccc5n4)cc3)CC2)cc1 1892410985 ICAGYGWHCQPMJQ-UHFFFAOYSA-N 448.526 4.648 30 10 IJEE N#CCCC1CCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1 1902270672 MTCANQCYXUSVJG-UHFFFAOYSA-N 443.547 4.600 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2cc(Br)ccc2C#N)C1 1965600376 CKLDAJSTEDMBJT-OAHLLOKOSA-N 444.320 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2001937506 HIKVFDJJGUZAER-IERDGZPVSA-N 436.557 4.996 30 10 IJEE C[C@H]1CN(c2ccc(Br)cc2C#N)C[C@H](C)N1C(=O)OCc1ccccc1 2006296800 LGPOHRFIHYNDMZ-HOTGVXAUSA-N 428.330 4.557 30 10 IJEE CC1(C)OB(c2cnc(Sc3ccc(Cl)cc3)c(Br)c2)OC1(C)C 2052599927 PCTUZXUNSUHVDM-UHFFFAOYSA-N 426.572 4.948 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cccc(Cl)c2Br)NC)C1 2077087080 CPOVDRWBYLFHIE-HNNXBMFYSA-N 429.786 4.847 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(CC1(C)CC1)NC1CC1)Cc1ccccc1 2086593144 KBYPKQIPSDIHGQ-MUUNZHRXSA-N 430.640 4.825 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(O)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2111472150 PXOPBUPPIDTPJH-KCHLEUMXSA-N 448.651 4.791 30 10 IJEE C[C@@H]1C[C@H](CNc2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2115818070 IUNBUBWBEZTGBW-CHWSQXEVSA-N 426.330 4.907 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)cc2)OC1(C)C 2159221681 IBCMNOKOTZAUSV-ITHGVDGZSA-N 446.444 4.519 30 10 IJEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1Cc1ccc(Br)cc1C#N 2174558594 BSECEVBWLAHVIT-KBXCAEBGSA-N 436.394 4.834 30 10 IJEE C#Cc1ccccc1CNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2180047319 CSHDDOWVMCXCLZ-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)C1 2181155193 NMYMOFGSCLJITG-KGLIPLIRSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)CC#C[Si](C)(C)C 2229116747 QYLXRPOTPGJBPB-KRWDZBQOSA-N 438.438 4.725 30 10 IJEE O[C@H](C#Cc1ccc(Cl)cc1)c1cc(Br)ccc1I 2231099674 YGXXHBAAVBUCSC-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)Cc1ccc(NC(=O)OC(C)(C)C)cc1 2235736240 XHMFDDYRQMBDPY-IBGZPJMESA-N 429.358 4.978 30 10 IJEE C=CCCC1(C(=O)Nc2cnc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266237097 WYUGVKHZLVZHFP-UHFFFAOYSA-N 444.757 4.639 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@H](N)C#Cc3cccc(Br)c3)c21 2296219205 LYDSSYQDXDHUCA-LJQANCHMSA-N 427.342 4.798 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CCC[C@H]2N1C(=O)OC(C)(C)C 2296280834 DWMQPWYDJCTVCM-NBYUQASBSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@@H](O)C#Cc1ccc(Br)cc1)C1CCCC1 2296287700 ZFAJSVXOGAMJPK-QUCCMNQESA-N 436.390 4.883 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2296298943 PJQOGMHWVJFTDL-DENIHFKCSA-N 435.406 4.816 30 10 IJEE Cc1nnc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)s1 2296592267 CRFLMKZIZZHIQV-MRXNPFEDSA-N 446.315 4.780 30 10 IJEE Cc1cccc(NC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c1 2297378352 DZXRWIGKHJHMBM-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE CC(C)(C)N=C1[C@H](N2CCOCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 2297382620 QFZAVOMZERERTG-INIZCTEOSA-N 427.536 4.777 30 10 IJEE CCCCOc1c(Br)cc(C=Nn2c(CC)nnc2SCC)cc1OC 2320988483 ZXIZMAJPAJORAR-UHFFFAOYSA-N 441.395 4.785 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2CCc2ccccc2Cl)cc1OC 2322119840 NAFNEAVKYGIIIN-UHFFFAOYSA-N 430.961 4.685 30 10 IJEE NC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(Cl)cc1Cl 2322381401 LSAVXAIIJPSBCR-UHFFFAOYSA-N 429.097 4.516 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(CCCCN(C)C)CO2 2322384074 XQWJXVCSEYKVNQ-UHFFFAOYSA-N 444.934 4.897 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1 2322457384 RQVYXUKZKRIKOR-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc(F)cc4)ccc3C2=O)cc1 2323044122 VKEUZUGLPYGLHM-UHFFFAOYSA-N 444.414 4.847 30 10 IJEE CCCCCCOc1c(OC)cc(C=Nn2c(SC)nnc2C(C)C)cc1[N+](=O)[O-] 2323580532 DIHPXZDJRUMMQJ-UHFFFAOYSA-N 435.550 4.882 30 10 IJEE COc1ccc(-c2csc(NN=Cc3ccc(O)c(Br)c3)n2)c(OC)c1 2323858493 DUHQLVRTVBGOMP-UHFFFAOYSA-N 434.315 4.741 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccncc2)C3=O)c1 2323917430 ALVJFFOLQQWDCA-UHFFFAOYSA-N 429.428 4.623 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OCC(=O)OC 2324455600 SMHQBIABGAOLCZ-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE CCCCCOc1ccc(C=C(C(=O)N=C2CCN(C)C(=O)N2)c2ccccc2)cc1OC 2325255679 UTFXUWWROZODHP-UHFFFAOYSA-N 449.551 4.775 30 10 IJEE COc1ccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SC)cc1OC 2326037512 QSLZHXFLVAJNMH-UHFFFAOYSA-N 446.960 4.564 30 10 IJEE FC1(F)C[C@]1(CS)COCc1ccc(I)c(Br)c1 2326914094 MGIKEJKUUFXDHU-LLVKDONJSA-N 449.098 4.526 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2327351930 DNSKTPIJQFULOH-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccn1 2329159053 BAOLYAMTXULIGK-UHFFFAOYSA-N 429.549 4.778 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc[nH]1 2330082067 KNZAKQMWRXNYMU-INIZCTEOSA-N 432.509 4.841 30 10 IJEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330119030 JXCFXHZYUKTFFA-CQSZACIVSA-N 428.945 4.958 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccnc1 2330246289 HBSBRLPQXVXTCZ-UHFFFAOYSA-N 448.596 4.717 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1 2331066192 XXRMWFFVRLGSHT-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)C3CCC3)c([N+](=O)[O-])c2)cc1 2331205196 ORZUVHCMLNTEPZ-UHFFFAOYSA-N 439.464 4.994 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccc1Cl 2331659243 UUCPGYOMJNMVMS-UHFFFAOYSA-N 438.944 4.707 30 10 IJEE CN(Cc1ccccc1)C1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339543090 LSSLDTUURJZJQO-UHFFFAOYSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)NC1CC(F)(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339597341 PXVLBTZADDYZCG-ZHACJKMWSA-N 447.360 4.534 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3cc(Br)ccc3Cl)C2)OC1(C)C 2342471234 AAKPMZGIGYZUGJ-GOSISDBHSA-N 428.563 4.801 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3[C@H]4CCC[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365058223 YGNPTVCTUHSUJC-PSWAGMNNSA-N 445.416 4.970 30 10 IJEE CC1(C)OB(c2ccc(CSCCCOC3CCC3)cc2Br)OC1(C)C 2377317819 QMKPBLGZJXJSEC-UHFFFAOYSA-N 441.240 4.941 30 10 IJEE COC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl 1010013 GWAINBVGBLZXSE-ORAYPTAESA-N 444.314 4.851 30 10 IJEE CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C/c1ccc(Br)cc1)C2=O 2417505 XMSKRBXKPBYLFE-VCHYOVAHSA-N 431.282 4.786 30 10 IJEE CCCCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1OC 16934239 SHCNJDMVUOHUSO-RLYGRLLTSA-N 440.521 4.806 30 10 IJEE C/C(=N\Nc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1ccc(F)cc1 20835534 VSJFYVIYARDWSB-FOKLQQMPSA-N 443.895 4.776 30 10 IJEE Cc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c(C)nn(C)c2C)c1C 32973695 MVFKUHHJILDMCS-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE COc1cc([C@@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1cccc(C)c1 35531315 RTXUUVKRPWZDCW-LPHOPBHVSA-N 427.547 4.797 30 10 IJEE Cc1cc(Br)cc2c1N(CCCOc1cccc3ccccc13)C(=O)/C2=N\O 39854050 DOHMPHGEQAVJRW-GFMRDNFCSA-N 439.309 4.905 30 10 IJEE Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1C 46127235 BCVXPSUCZWEUAC-UHFFFAOYSA-N 437.341 4.859 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1)Nc1cccc2ccccc12 59006284 BOQCSWTXGXQRAK-DHRITJCHSA-N 441.520 4.616 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 102539666 RSYLTSMMKYXRIT-LAFOYAEKSA-N 434.448 4.963 30 10 IJEE CCC(=O)N1CCc2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)ccc21 107930422 UXMOCHBRPXLXEG-UHFFFAOYSA-N 426.476 4.605 30 10 IJEE C=CCN(C1CCCC1)S(=O)(=O)c1cc(Br)c(C)cc1Br 159563905 XKNPTUQMRACNND-UHFFFAOYSA-N 437.197 4.639 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccccc1C 169946165 UYLXYJAICNDTJO-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 170066374 WCFNFQNJJZENIH-QPPBQGQZSA-N 449.547 4.884 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 170083111 SXEHPZXMSVXFSN-QHCPKHFHSA-N 447.462 4.709 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1 170102920 XTGFWAGGIOQFTB-HSZRJFAPSA-N 449.478 4.947 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccnc2)ccc1OC(C)C 170186417 FWKXYXGYCJFEAY-QHCPKHFHSA-N 444.487 4.666 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccnc1 170195895 WEIARQKKPDXBSR-HXUWFJFHSA-N 428.916 4.902 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC)cc1 170216239 RGMXQOWPUXDEKK-LJQANCHMSA-N 428.554 4.927 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170281297 SDUXTJVIWIYXSH-HSZRJFAPSA-N 443.455 4.670 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3OC)[C@@H]2c2ccc(C)o2)cc1 170300626 XFXICPMVIPSHAP-QHCPKHFHSA-N 447.487 4.951 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)o1 170401484 LLLRSJYBUIRRJR-GOSISDBHSA-N 444.365 4.665 30 10 IJEE CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 170536756 LMAJSFGFSKNCLH-QGZVFWFLSA-N 425.492 4.822 30 10 IJEE COc1ccc(/C=N/N=C2/S/C(=C/c3ccccc3OC)C(=O)N2Cc2ccco2)cc1 210532547 ANYXNCIZDGYOGM-WTGMLGSZSA-N 447.516 4.803 30 10 IJEE CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1OC 254739531 LBEBIAIBSJHNIA-OXJNMPFZSA-N 425.554 4.844 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C 404373151 JHYBPVLXVXZIAP-RJGXRXQPSA-N 448.460 4.778 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(OC)ccc1Br)NCCC 407667236 JKICGZZMCSJFIQ-OALUTQOASA-N 441.410 4.838 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 407888319 QWEIRBCYDVJYFD-IRXDYDNUSA-N 429.374 4.968 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)c1ccccc1 428023065 NZHQCGZLPKNORR-FCHUYYIVSA-N 434.584 4.994 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464239023 XOMKDEWGVMCJRR-MWTRTKDXSA-N 443.544 4.704 30 10 IJEE N#Cc1ccc(N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(C(F)(F)F)c1 480105860 MLTMSVWCJPHFTH-KRWDZBQOSA-N 439.441 4.936 30 10 IJEE N#C[C@H](C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 500453105 UYRSQTHVRXITCD-SJLPKXTDSA-N 433.533 4.660 30 10 IJEE C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 503050898 GAKRBPUZLSYONW-CRICUBBOSA-N 440.515 4.844 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 504067293 FWIZPWYROBHENW-LJQANCHMSA-N 429.520 4.595 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCC(O)(c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12 504203228 WXTDWTMLFMQYPE-WRDBPHBTSA-N 444.015 4.938 30 10 IJEE biogenic C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 508864922 RHOBWPQQXNAUFA-LJQANCHMSA-N 443.345 4.681 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2OC)c1 516677114 PGTYXGWKXVJEDS-LEOXJPRUSA-N 434.536 4.672 30 10 IJEE COc1ccccc1[C@@H]1C(c2cccc(OC)c2OC)=C(O)C(=O)N1c1ccc(C#N)cc1 526490295 LGSBVIQPJJTREA-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(Sc3ccccc3)C2=O)c1 526660571 JGNDDDPAWHIZTC-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE O=[N+]([O-])c1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 526801615 XILMMPVGXOBIPN-JLPGSUDCSA-N 429.505 4.952 30 10 IJEE COc1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1 526823010 CFLRTQYBCUMPJN-PKAZHMFMSA-N 439.544 4.924 30 10 IJEE COC(=O)c1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccco2)c1 526826815 JNWVXDXAHCNLKU-XYGWBWBKSA-N 446.532 4.617 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1 558662570 CDIOXKRIZPJEIT-UHFFFAOYSA-N 444.579 4.802 30 10 IJEE C=C(C)CN(c1ccc(I)cc1F)S(=O)(=O)c1ccc(C)cc1 586202244 HMNFRTLPYVJKRE-UHFFFAOYSA-N 445.297 4.510 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N([C@@H]3C[C@H]3C)C2=O)cc1 727686914 IOFCXFRMSHVWSE-LPTQZCDUSA-N 435.549 4.566 30 10 IJEE CC[C@@H](Oc1ccccc1C(C)C)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 733548630 IBSDFXWFTQDNJK-HNAYVOBHSA-N 440.565 4.960 30 10 IJEE C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc(OC)cc1 735230197 FXCMPACYDABYSU-UHFFFAOYSA-N 426.929 4.988 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)OCc1cc(Cl)ccc1OCC#N)c1ccccc1 738713544 BXYHKZUZYCVCJP-LJQANCHMSA-N 430.888 4.552 30 10 IJEE N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741431489 QURMFQVDPQQEPU-IHRRRGAJSA-N 440.780 4.829 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccccc2)o1 748904838 CWXDHIANOIMPNQ-QGZVFWFLSA-N 434.448 4.573 30 10 IJEE CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3)N(CC)C2=O)cc1 799220682 GROKCKCBMCEKEA-GOSISDBHSA-N 431.945 4.719 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3)N(CC)C2=O)cc1 799220684 GROKCKCBMCEKEA-SFHVURJKSA-N 431.945 4.719 30 10 IJEE N#CC1CCC(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)CC1 799458429 WJOUBANJTBQSTL-AJTFCVKESA-N 446.576 4.977 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(Cl)cc1 810473123 DVCYHSDPTSCAKT-HXUWFJFHSA-N 443.890 4.501 30 10 IJEE COc1ccccc1CNN=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 1084250953 IQUJLOFUCDWTQR-UHFFFAOYSA-N 425.872 4.960 30 10 IJEE C=CCCOCC(=O)Nc1sc2c(c1C(=O)c1cc(OC)cc(OC)c1)CC[C@@H](C)C2 1124094541 QEZRKMVBGHMVTQ-OAHLLOKOSA-N 443.565 4.652 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1 1126479751 AMVPRIPIAIVKAB-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE C#CCN(C(=O)c1cc(OC)cc(Br)c1OC)[C@H]1CCCc2ccccc21 1134094077 XHQVHFPKHDSXKN-FQEVSTJZSA-N 428.326 4.619 30 10 IJEE C[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H]1CNC(=O)OC(C)(C)C 1141802850 GDBKLECPUYCKJK-NQIIRXRSSA-N 448.567 4.925 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)cc1 1142298725 RGLXYSOXBSSJNN-OAQYLSRUSA-N 442.437 4.846 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 1168801439 OOGRDOLRVLMEPN-VWLOTQADSA-N 442.559 4.896 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 1206194425 JWFSFJIGFUICRL-QFIPXVFZSA-N 443.341 4.720 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1nc(-c2cnn(C)c2)ns1)c1ccc(C(F)(F)F)cc1 1210321250 WQBLREAPHLSJTB-OAHLLOKOSA-N 436.463 4.786 30 10 IJEE C=CCOc1cccc(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c1 1214886041 SBIXHHRUROVFNY-ZBFHGGJFSA-N 444.167 4.611 30 10 IJEE C#CCSCCNC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1220549481 OANDBLCSALJAAS-JOCHJYFZSA-N 441.666 4.637 30 10 IJEE C#C[C@H](NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 1222521112 VWDWYDUBEKDWRJ-VWLOTQADSA-N 438.506 4.911 30 10 IJEE C=CCN(C(=O)COc1ccc(Br)cn1)c1nc(-c2ccccc2)cs1 1264216007 MNWLXGIWGPKTNY-UHFFFAOYSA-N 430.327 4.566 30 10 IJEE CC[C@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN(C(=O)OC(C)(C)C)C1 1264824055 ANGNQKDOKUIINW-DEOSSOPVSA-N 436.512 4.721 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(N3CCOC3=O)ccc2C)s1 1265395601 ANAHOTMHSPWCCA-UHFFFAOYSA-N 437.974 4.742 30 10 IJEE CCOC(=O)c1c(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c(C#N)cn1CC 1276335761 AQTATQNLFVCAFG-UHFFFAOYSA-N 442.928 4.509 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1286278119 LKFUOJWICOSNKT-ZMTPEHOPSA-N 442.579 4.999 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cccnc1OC1CCCC1 1286363599 PKZKTGJMLHLCPS-HSZRJFAPSA-N 429.568 4.654 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1C[C@H](F)C1 1286399995 SXXPMKPKRPKKGK-SFHLNBCPSA-N 442.966 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1noc(CC)n1 1286569520 UBULCOFUIMSPEI-UHFFFAOYSA-N 435.359 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CCOC)C1 1286668047 PCUVJFVQWMIYHM-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCC2)C1 1286699530 SNGLRVIUKORULC-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCSC1 1286730771 NLUWIWDPORHBNM-CQSZACIVSA-N 427.401 4.929 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCOC1 1286740513 ORCMPXWMRXUNHE-NRFANRHFSA-N 438.597 4.558 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccnc(SC)c2)C1 1286800651 OKASUYFSEKRZKW-FCHUYYIVSA-N 449.624 4.767 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCCCS2)C1 1286801557 ZQWULTQYELFODQ-YPAWHYETSA-N 426.630 4.887 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2C[C@H](C)Cc3cccc(F)c32)nnc1-c1ccco1 1288062596 ZTYWPKQRHZFUNY-OAHLLOKOSA-N 426.517 4.571 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1288552264 PTXLNVUNXJIZDT-UHFFFAOYSA-N 426.582 4.550 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300313060 AOEKHZPZXUBQST-ZCNNSNEGSA-N 442.051 4.737 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1300357875 AHQHPPOAJXJTIJ-UHFFFAOYSA-N 435.597 4.819 30 10 IJEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1300432126 COIJFTUUCKCSIE-SJLPKXTDSA-N 433.478 4.510 30 10 IJEE C=CCCC1(CNC(=O)c2cnn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)CCCC1 1300739903 WPZCLDALJOGWNH-HXUWFJFHSA-N 430.593 4.712 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1300770306 SHEIVCFOCPTBBM-PMVMPFDFSA-N 438.641 4.855 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1300972508 LWFXNJPCPLNIPN-SFHVURJKSA-N 439.604 4.612 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301013464 PBURPTGSDLTBHO-IBGZPJMESA-N 445.995 4.684 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1301173404 GXRDHNCZTWZYRG-NRFANRHFSA-N 446.555 4.632 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H](CC)N1CCCC1 1301350961 FDAUIVMQLHLPTC-NRFANRHFSA-N 434.563 4.546 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1 1301399431 MUKDSUDLNLNVNC-CEXWTWQISA-N 447.649 4.513 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301438614 VULBQZHUTFEAFW-UHFFFAOYSA-N 435.616 4.658 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1301452449 OFEAKRKXLRDYIT-HKUYNNGSSA-N 443.567 4.915 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1301621300 UUPJMSWTPZSLAE-PMACEKPBSA-N 442.629 4.801 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H](C)c2nccs2)s1 1304349047 DIMUOSAXTIZRIT-HNNXBMFYSA-N 434.594 4.931 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1304999101 GZYYREOEKRWFMV-GDBMZVCRSA-N 431.382 4.602 30 10 IJEE C=CCn1c(SCCCCCn2cccn2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307238196 WFJVJKVMYNHLPW-MRXNPFEDSA-N 428.627 4.928 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCN(CC(C)C)C1 1312339735 ZCOLUYSTPFKPNI-KRWDZBQOSA-N 440.401 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1312614854 DNGOFLJNOGFNRB-UHOSZYNNSA-N 426.479 4.548 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 1357743952 LNVICPNMIRJOCV-ODTUPPAISA-N 436.983 4.992 30 10 IJEE C=CCc1cc(CNC(=O)Cc2c(Cl)cccc2Br)cc(OC)c1OC 1358055641 DMGMWRSYXBNXIC-UHFFFAOYSA-N 438.749 4.707 30 10 IJEE C#CCCCCn1c(N2CC[C@H](c3ccccc3)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1358917626 WCSOTTGNYJBCMX-RZPFDVGOSA-N 436.600 4.505 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC(C)(C)C1CC1 1358972666 NSNORTWPKHKSRS-UHFFFAOYSA-N 439.401 4.915 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1359153912 XBJIWKWUYPKHJO-ICSRJNTNSA-N 434.053 4.774 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCSC2)CC1 1359176178 OMYOMRKBWUIIDC-HXUWFJFHSA-N 439.412 4.522 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1359205053 JXBAIKDLNQMLFZ-XMMPIXPASA-N 436.648 4.713 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1359206083 TYPAQJRXMJHZJK-TZIWHRDSSA-N 440.617 4.524 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CC1CCN(CC(F)(F)F)CC1 1359234712 YCUBRSWXVKUFJX-UHFFFAOYSA-N 433.478 4.588 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1oc(CC)nc1C 1359267757 QUWBNCKEBXCFJL-UHFFFAOYSA-N 442.361 4.793 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(OCCc3ccccc3)nc2)c1 1360384804 GOIOSEJTDWZVJL-UHFFFAOYSA-N 439.471 4.999 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1Br 1435529439 GMZCTMDNNUTZKP-SFHVURJKSA-N 440.297 4.595 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 1437057129 CGBJVFNJOXGANU-ZDUSSCGKSA-N 429.364 4.785 30 10 IJEE C#CCN(C(=O)c1snc(Cl)c1Cl)[C@H]1CCOc2ccc(Br)cc21 1444115167 BJOUVLNTEBXHQW-NSHDSACASA-N 446.153 4.812 30 10 IJEE CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)o1 1456596528 IAZLYVDINJKEQQ-UTKZUKDTSA-N 439.943 4.864 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(OC(C)C)nc1)c1ccc(C(F)(F)F)cc1 1463377907 JYPFKVWLZAXZIG-GOSISDBHSA-N 428.476 4.873 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl)C(=O)OC(C)(C)C 1464282739 RBFSNNSPHCFUPO-OAQYLSRUSA-N 430.907 4.555 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)c1C#N 1469248522 IBYASKJXWKGSPS-UHFFFAOYSA-N 426.567 4.698 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cccc(OC)c2)CC1 1471156340 IPISSQPTKYLMSC-QFIPXVFZSA-N 430.589 4.726 30 10 IJEE CCCCn1c(S[C@@H]2CC[C@H](C#N)C2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 1472937943 FNCGYBGALWGVBZ-DLBZAZTESA-N 434.631 4.651 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCO[C@H](c3ccccc3Cl)C2)ccc1Cl 1473158203 HUTMRXFOWRFLKC-NRFANRHFSA-N 432.351 4.622 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F 1475100453 DOYCZSDXXPCLOK-UHFFFAOYSA-N 441.670 4.598 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2C(C)C)cc1 1475974512 YIQUZCJXGTVOMO-FYYLOGMGSA-N 441.597 4.574 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)C1 1476495483 UHSCFAYKBQIIOA-QGZVFWFLSA-N 446.320 4.600 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1)c1ccc(Br)cc1 1478895491 CUVSMMKWARAYKU-IEBWSBKVSA-N 443.389 4.664 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 1478964178 JJPKSEXAZOTZSB-ICSRJNTNSA-N 425.495 4.547 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCSC1 1503466525 HVKZJSLUUNHFDK-OAHLLOKOSA-N 430.002 4.921 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(OC)C1 1507748277 LWNFFONVAJBYDQ-HSZRJFAPSA-N 444.670 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC=C)cc1 1507761767 KMTCWCXOPWCFJD-XMMPIXPASA-N 433.943 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCC(C)CC1 1507819161 OLWQIBNWEIDRHA-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)CC1 1507880426 ZEKXKZSCDJXQJL-UHFFFAOYSA-N 425.508 4.592 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1507924397 MVKKMPDAJYYKSN-FCHUYYIVSA-N 435.616 4.647 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(C(F)(F)F)CC1 1507946437 RWXWHINSDLJUBS-UHFFFAOYSA-N 428.462 4.796 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CCCC1 1507998679 DBGXLZDYDOPFNG-SANMLTNESA-N 449.599 4.575 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1508153385 ZCPFYIMVRZHDPU-UNWVZKJWSA-N 425.646 4.769 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H](SC)C(C)(C)C 1513679392 BNLSRSUJMDEMOF-XLIONFOSSA-N 429.634 4.936 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1cccnc1 1514764771 FQTRKLYKAYETQV-UHFFFAOYSA-N 442.592 4.975 30 10 IJEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)Cc2cccs2)C1 1516405074 CYLMIEBFJHMNSA-NQIIRXRSSA-N 435.597 4.762 30 10 IJEE Cc1cccc(COc2cccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2)c1 1520902836 GBVQAAUPPVVCOH-UHFFFAOYSA-N 427.548 4.650 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCC(c4ccc(F)cc4)CC3)CC2=O)cc1Cl 1521980909 IFAHJSMTLLXRIK-IPCDKGFNSA-N 439.918 4.546 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2cccc3c2CCC(C)(C)O3)nnc1-c1ccco1 1524084212 SIECMKYSKGPIHI-UHFFFAOYSA-N 439.537 4.916 30 10 IJEE C=CCN(C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1525330798 LHKUDCTYXRUHMJ-LZLYRXPVSA-N 432.611 4.805 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1 1525586064 LUHADQJTZHATEE-UHFFFAOYSA-N 438.574 4.573 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C(F)(F)F)cc1 1525704310 QLPQDPXEDWZCIV-HSZRJFAPSA-N 443.465 4.686 30 10 IJEE CCc1[nH]c(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c(C)c1C(=O)OC 1526362281 BNTPRWFZRUOUJK-UHFFFAOYSA-N 433.483 4.838 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1526439123 JIRQQPDAYXJKCR-FQEVSTJZSA-N 435.326 4.952 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3Cl)nc2C2CC2)cc1 1527699819 IEYQGTGYRMRJSK-UHFFFAOYSA-N 432.911 4.843 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2Cl)c1 1528035665 HIHNZCWPCYHEKW-IBGZPJMESA-N 445.906 4.782 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(I)cc1Cl)c1ccc(Cl)cc1 1528062169 XZSGDIYRGGXNLU-OAHLLOKOSA-N 430.072 4.702 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@H]2CCCOC2)cc(OC)c1OC 1529570916 OUBWTMRIVJLCNB-INIZCTEOSA-N 443.927 4.947 30 10 IJEE C=CCN(C(=O)[C@H]1CCCC2(CC2)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531952601 JQOSHJXMHIRJEW-KRWDZBQOSA-N 430.595 4.703 30 10 IJEE Cc1c(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cccc1C(=O)N1CCc2sccc2C1 1532597329 HDLKZEKRMLPBJT-KRWDZBQOSA-N 443.572 4.944 30 10 IJEE COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1533635135 ATNWHTZHALDTTL-SFHVURJKSA-N 446.482 4.667 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1536538920 HIXRLCSJWLNAPC-BEFAXECRSA-N 449.429 4.553 30 10 IJEE C#CCN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C1CCN(C)CC1 1538520257 UHXMLOYNHVCBTM-UHFFFAOYSA-N 435.618 4.637 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)CCCC1(C)C 1538658334 YBNJZULSUHKIIW-WMZHIEFXSA-N 440.609 4.933 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1C1CC1 1538988044 ZPXNEBAVQVRGEW-YJBOKZPZSA-N 432.399 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCCNC(=O)OC(C)(C)C 1539549613 MMRDOJMJBWWONW-HSZRJFAPSA-N 443.979 4.505 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC2(CCC2)C[C@H]1CC 1539728290 GDLNDTZMSQOBME-HXUWFJFHSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1539855698 CWMSUNHSAUMAQS-HSZRJFAPSA-N 430.980 4.608 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCSC2)CC1 1539894577 MCWPSCZPTZHNCK-NRFANRHFSA-N 426.630 4.618 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCCCC2)CC1 1539898828 ZZXHTLZBOCRHHY-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 1539946552 BYMWQJHRGKCYEZ-FPOVZHCZSA-N 439.604 4.646 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC1CCOCC1 1540059153 OEVJUDUITRFFNL-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1540151808 MPZQNPUIQOIFGK-GMAHTHKFSA-N 436.648 4.911 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1ccnc(C(F)(F)F)c1 1540186311 BKTGXOBUZMTJQW-UHFFFAOYSA-N 433.478 4.767 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1540913873 WFUOGUVDQJHDJQ-FQEVSTJZSA-N 427.643 4.923 30 10 IJEE C#CCN(C(=O)Cc1cncc2ccccc12)[C@H]1CCOc2ccc(Br)cc21 1543685548 IKLRXSCNPMEZFQ-NRFANRHFSA-N 435.321 4.525 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)ccc1F 1543944192 GJIZFXMVPXKHGY-UHFFFAOYSA-N 448.903 4.764 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)cn2)cc1 1544252689 BLXVOZGILKUONO-QHCPKHFHSA-N 430.483 4.878 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1cscc1C 1555111174 FZPWUYVDYXTWPK-HNNXBMFYSA-N 427.599 4.593 30 10 IJEE N#CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2OCC(F)(F)F)CC1 1555992028 DUEIMCVFYINUEW-UHFFFAOYSA-N 447.505 4.740 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1n(CC)c2ccccc2n1CCC 1556197883 NUTZUZPEBFHGBQ-GOSISDBHSA-N 428.577 4.550 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)C(C)C)n[nH]2)c1C 1556508038 LSVJMIMBTVTFKR-LJQANCHMSA-N 425.964 4.899 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(Oc2ccccc2)cn1 1557229290 MKUIQRHBZPKZRS-UHFFFAOYSA-N 426.476 4.554 30 10 IJEE COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1Br 1559770941 COQJQOLFAANSDU-UHFFFAOYSA-N 441.247 4.515 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)C1 1563486732 OAPHXYJRRACWLU-GBXCKJPGSA-N 428.580 4.811 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](CC)Oc1ccccc1Cl)c1ccc(Br)cc1 1564247816 DEYSCMZYPZKATK-SJLPKXTDSA-N 435.749 4.934 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@@H](CC)c2ccccc2)CC1)c1ccc(Br)cc1 1564999253 IRAPXRKOJQXEAB-YADHBBJMSA-N 440.385 4.602 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)CCCN1C(=O)OC(C)(C)C 1566286516 FDAFSXPZJDNSLT-HSZRJFAPSA-N 426.517 4.795 30 10 IJEE C#C[C@@H](NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1ccc(Cl)cc1 1583550376 YKROFFLCDOPZSV-YLCCHKQJSA-N 445.935 4.544 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1587850987 AQATYYWDZUBLBU-HXUWFJFHSA-N 430.499 4.528 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CCC(OC)CC1 1588180990 MMHIDVNRMCWBJR-ZKMFCFPVSA-N 448.611 4.703 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccco1)C(C)C 1593775642 AJNLDHOAGFMOOB-NHCUHLMSSA-N 430.593 4.797 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCCO1)c1ccccc1 1594552206 JDXUMRFRJIDHMN-ZEQRLZLVSA-N 448.615 4.505 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1594635413 VKXPUQZWZOQRKO-QFIPXVFZSA-N 430.543 4.899 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1595044251 QBUMKMBXEVKCNS-LJQANCHMSA-N 437.588 4.747 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1595191346 PYOBVTWOURQWCP-UHFFFAOYSA-N 430.459 4.519 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cc1 1595608758 XGWZFXKVSCDORR-SANMLTNESA-N 447.583 4.595 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@](C)(OC)C2)cc1 1595639699 HJSPRRHSIDSAFI-XMMPIXPASA-N 438.597 4.549 30 10 IJEE CC(C)N(CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1)C(C)C 1608032881 BIGOWYZYUVVWKP-UHFFFAOYSA-N 447.002 4.986 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@H](N(C)C)CC3)c2C#N)C1 1617197820 DLHFOFCUOQHFDM-ROUUACIJSA-N 430.662 4.515 30 10 IJEE COCCC1(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1619785812 GUCKSOLTDCHWNX-QHCPKHFHSA-N 425.552 4.811 30 10 IJEE C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1623490731 HSQYNUBQGUZJOW-DNVCBOLYSA-N 434.392 4.883 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 1625851512 DREQLSXYTAHRKJ-FQEVSTJZSA-N 439.462 4.846 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1633930259 YQFDRMDAQOWPIB-UHFFFAOYSA-N 435.593 4.650 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 1634121827 ARDIXHXUDMLCPD-XLIONFOSSA-N 435.540 4.605 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccccc1OCc1ccccc1 1634193034 BAHWBSFADKPDMG-BJKOFHAPSA-N 426.516 4.943 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1635887618 DQWLXEJNBOTHDY-UHFFFAOYSA-N 444.329 4.637 30 10 IJEE C=CCn1c(SCc2cc(Br)c3c(c2)OCO3)nnc1-c1ccccc1 1640571455 TURJXUNQWWBLEW-UHFFFAOYSA-N 430.327 4.915 30 10 IJEE COC(=O)c1cccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1C#N 1643408757 DCTXTKILCPGPSN-UHFFFAOYSA-N 441.512 4.645 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cc(Cl)cc(Br)c2)CC1 1644817288 FKGPWDUXFNFXKS-UHFFFAOYSA-N 447.720 4.544 30 10 IJEE C#C[C@H](Nc1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c12)c1ccc(Cl)cc1 1651123383 GCNRXOXLMMUVSU-INIZCTEOSA-N 442.972 4.678 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)cc1OC 1653967791 JCZNCHGTLZVOFU-IBGZPJMESA-N 432.561 4.512 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@](C)(O)c2ccccc2Br)cc1OC 1657860990 UPHXUXXYXRXGHM-FQEVSTJZSA-N 440.765 4.673 30 10 IJEE Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2ccccn2)cc1 1661552324 HSIINRCYJKWSKD-FQEVSTJZSA-N 445.466 4.543 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 1662323577 LPMCUHAKKFPLAI-INIZCTEOSA-N 432.261 4.511 30 10 IJEE COc1cc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1OC(F)F 1667655615 ICHCOYDZPZPBIX-UHFFFAOYSA-N 430.436 4.860 30 10 IJEE CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(F)cc1C#N 1669507437 ASUTYGAQNLDTEW-GOSISDBHSA-N 428.451 4.652 30 10 IJEE C#C[C@@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C)c1ccc(Cl)cc1 1674020408 KCGXRCTWVROFLY-FXAWDEMLSA-N 445.991 4.835 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccccc1 1675829685 JWWKGEWBCXYEMQ-RPWUZVMVSA-N 429.589 4.911 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(C)OCCc2sccc21 1678356380 TWUYDXMCVSNSPI-IBGZPJMESA-N 437.359 4.685 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(OCC(C)C)cc1)c1ccc(Br)cc1 1678722456 IVQUTMDEKAGWDF-NRFANRHFSA-N 429.358 4.700 30 10 IJEE C#C[C@@H](NC(=O)NCCc1c[nH]c2cc(F)c(C)cc12)c1ccc(Br)cc1 1683511910 CJGUTNZLZCECJI-LJQANCHMSA-N 428.305 4.594 30 10 IJEE C#C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 1683675935 ILQGKIOQWWYHST-HXUWFJFHSA-N 437.893 4.807 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 1686761946 DFNFFDGOPFBJSP-VXKWHMMOSA-N 431.536 4.524 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C)c1ccc(F)cc1 1686917836 WZSDKTIHWQHOKH-DUXKGJEZSA-N 431.552 4.615 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2cccc(Oc3ccccc3F)c2)CC1 1686955027 GSFHDYPQWARMBF-UHFFFAOYSA-N 448.473 4.661 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1nccs1 1689917956 LOWZWJBJKAHLMT-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCC=CO1 1690034992 YJRGLHJPZYBFJN-KRWDZBQOSA-N 436.968 4.969 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCO[C@H]1C(=C)C 1690036981 IHRPEUIVIDTQMS-ROKPMTFOSA-N 448.636 4.576 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC)(CC)C1 1690183357 VLRDGXXOMUORDS-UHFFFAOYSA-N 426.630 4.857 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1F 1690306643 ZRDDPGNRRIQVIY-UHFFFAOYSA-N 433.890 4.501 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(CCOCC)CC2)CC1 1690364898 ZYERNFVYFWZUBV-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cc(C(C)(C)C)no2)CC1 1690414631 DWAVRNPVLRBELT-UHFFFAOYSA-N 449.599 4.808 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1690480415 HTCMTWXKNVNXIX-UHFFFAOYSA-N 436.991 4.590 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1690483674 UQEVZQSYYXHUSV-JXFKEZNVSA-N 434.943 4.509 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@H]1C(C)C)C1CC1 1690538146 BLEXNLGFYRDWHI-XLIONFOSSA-N 445.405 4.924 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690649819 XBYMGXQQFYIEKD-NRFANRHFSA-N 437.632 4.653 30 10 IJEE CC(C)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CC1 1692062198 DSXNYJQRPSEMDI-UHFFFAOYSA-N 432.572 4.685 30 10 IJEE CCN1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1695842008 ADIRMHRJALXYGK-VGSWGCGISA-N 447.414 4.866 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCC(C)(C)COC 1705483126 NXWHSZGMZQHTQG-MRXNPFEDSA-N 433.394 4.618 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1C(F)(F)F 1705519127 ZUHYWJMVETVTBF-UHFFFAOYSA-N 427.474 4.723 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1C(F)(F)C12CCC2 1705576237 IBSKHTOGPJSNHL-KRWDZBQOSA-N 435.305 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1c(C)noc1C 1705668123 FHPRFKMHNOFGSA-HFZDXXHNSA-N 447.583 4.875 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nccs2)CC1 1705777584 HDWSRFNDDFORJK-UHFFFAOYSA-N 429.977 4.709 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1705785785 WJHNQARGGNSEFD-JOCHJYFZSA-N 437.588 4.565 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCC1 1705806693 KDPYLMDJGJBRFY-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705821428 WSNNWGHVGRVXPN-IFMALSPDSA-N 427.662 4.987 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCSCC1 1705826623 YDRFNPAPBRQPQL-UHFFFAOYSA-N 444.601 4.959 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)c1ccccc1 1705847128 GLTPUZRCYSOGCB-ICSRJNTNSA-N 425.577 4.776 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)nc1 1705868725 YWCOXSCNUJMZSF-UHFFFAOYSA-N 436.972 4.615 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1cc(C(C)(C)C)no1 1705868738 ZOWAMLTYIAKDRS-UHFFFAOYSA-N 448.596 4.852 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=O)NC(C)C 1705871183 AKXFWVPELRGDSW-UHFFFAOYSA-N 439.560 4.516 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2OC(F)(F)F)C1 1705925255 NAJGXJXJVUUCCQ-GOSISDBHSA-N 436.478 4.664 30 10 IJEE CCOc1ncccc1Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1710577520 IFGORRHDYREKKE-UHFFFAOYSA-N 442.567 4.583 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1(COC)CCC1 1722281091 MAZIVCJHDNAJRZ-ZWKOTPCHSA-N 426.630 4.796 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722317216 NPASNHKZLVOIRK-JOCHJYFZSA-N 436.531 4.892 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1722324270 ODTKPTBJBHYISF-WOJBJXKFSA-N 434.540 4.817 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)c1ncc(C)s1 1722376244 ZABBKTNHVPKJBX-DLBZAZTESA-N 449.649 4.773 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1ccccc1 1722421662 RANYOSDPLPKUEU-UHFFFAOYSA-N 448.636 4.994 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)[C@H](C)c1cccs1 1722462661 QDZHUWMBFLIBPM-GOSISDBHSA-N 426.611 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCn1cccn1 1722504097 ZAKNAPKXLMKJID-UHFFFAOYSA-N 443.393 4.705 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(Cc1cccs1)C(C)C 1722509294 OMFMTXKGHGEBLG-ZVDOUQERSA-N 430.618 4.630 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1722579051 HNYYBVHGGYHHBC-GBXCKJPGSA-N 449.599 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)[C@@H](C)C1CCC1 1722584266 CKOJVNOMDNKLFF-SFHVURJKSA-N 444.645 4.966 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](COCC)C1 1722588126 KUBSRAXGRXESGX-SIKLNZKXSA-N 440.588 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](COc2ccccc2)C1 1722589530 SEYSYIPZVKNRQL-JOCHJYFZSA-N 448.615 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCCCn1cc(Br)cn1 1722637396 SNHFAWJFWYWZLK-UHFFFAOYSA-N 443.393 4.569 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1Cc1cccc(Br)n1)C1CC1 1722648067 HQTXKNRBCCVGNI-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1csc(-c2ccco2)n1 1722665366 ALRPXWQGCQZIOH-UHFFFAOYSA-N 438.944 4.937 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CC(=O)N(C)C1CCCCC1 1722668301 OHKRWQNTBUDUBL-UHFFFAOYSA-N 433.556 4.661 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(C)C)C1 1722732746 OAEIPLOZDIKMTR-UNMCSNQZSA-N 444.645 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CCN(CC)CC1 1740538749 JWJUHLFFPRJKNS-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCS1 1740728299 UVEHNPVBYWBBMQ-NTKDMRAZSA-N 440.613 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(CC)(CC)OC 1740729502 IFZKZVCPWPNRRC-XMMPIXPASA-N 440.588 4.550 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1740808156 ZXMCKCPAQNIWOB-KRWDZBQOSA-N 430.339 4.749 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1740823541 DHTOLTRKXGRTCD-QFIPXVFZSA-N 435.616 4.625 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)C)CC1 1740838385 OAKZVDPUAONFFS-FQEVSTJZSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1740851543 ZAAFCGACRUNDKJ-UHFFFAOYSA-N 444.668 4.680 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1740862689 BNXRXQTZIONYKX-HXUWFJFHSA-N 438.620 4.782 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1740874402 SMXWBMRJVSNVDX-UHFFFAOYSA-N 442.995 4.805 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CSCCS1 1740892578 JHVCYCBVVMSFMW-KRWDZBQOSA-N 443.667 4.848 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccc2c(n1)CCCC2 1740894843 JSOILPIXOIZLDG-UHFFFAOYSA-N 447.583 4.687 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H](O)C1 1740914344 PRCIMXBGWRXBKV-DHIUTWEWSA-N 438.616 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCC1 1740922872 VSVIYUZQXGMKHM-GBXCKJPGSA-N 442.629 4.929 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1)C1CCCC1 1741543874 GMZWZSCOLQPXDT-RUZDIDTESA-N 433.556 4.722 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1748722474 ZFLPXNJBFWKAMO-VWLOTQADSA-N 447.671 4.929 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1748743415 ASMXAPKICQFJEC-INIZCTEOSA-N 446.452 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1749066720 NFMAICHNQWACKA-DHJUGAMNSA-N 428.964 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)c1ncc(C)s1 1749072468 OTFXHJCEJMNMIL-IQGLISFBSA-N 449.624 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@H](SC)C1 1749125838 YRQWHAMRDYEWJH-HJNYFJLDSA-N 442.629 4.657 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC)CC1 1749133160 IGSDOJILSDHXRF-WZONZLPQSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1749150335 UNISVYUFZYSCQR-UHFFFAOYSA-N 435.572 4.738 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1749183078 NINAKYACWCXLRN-ICSRJNTNSA-N 428.577 4.712 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(Cl)=C(Cl)C1 1749252626 DXXQOINMIYQGFB-UHFFFAOYSA-N 435.746 4.987 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCCSC)CC1 1749287087 WKTWKULNMPBNHG-UHFFFAOYSA-N 448.036 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749360040 RZABNQPCKCJPNN-UHFFFAOYSA-N 435.616 4.837 30 10 IJEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1749398666 NPEOJQKRQUMBBT-MSOLQXFVSA-N 442.633 4.549 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCC(C)CC1 1749748821 AEIMQHFJYFEKNH-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1c(C)noc1C 1760102010 XOGOQQVSDWYGIH-RDJZCZTQSA-N 428.540 4.668 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760156838 VJVYQWLQXSXAHL-FPOVZHCZSA-N 443.636 4.554 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)C/C(C)=C/c1ccccc1 1760284201 IKUWGRXKBYAPFY-NBVRZTHBSA-N 437.638 4.540 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](CCC)OC 1760291513 RRBVBPNQDHLNEW-QFQXNSOFSA-N 448.567 4.924 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1nc(C)cs1 1760295285 BVWVBCGGZLGWHF-IQMFZBJNSA-N 441.551 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC[C@H]1CCO[C@@H](C)C1 1760298823 WMPQBOHKHJXAGM-AOJNWGRGSA-N 436.600 4.671 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC[C@](C)(CC)O1 1760330524 GLPFMZYQKFQYPH-DVECYGJZSA-N 428.577 4.712 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1760347415 YSSORXCHTBJMRM-NHCUHLMSSA-N 443.636 4.717 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2ccc(OC)cc2)CC1 1760393721 XOHQQEWEPJJTJG-DHIUTWEWSA-N 438.616 4.995 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1Cc1c(CC)noc1C 1760479621 VIGMAFIAKVFJJB-UHFFFAOYSA-N 430.556 4.907 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1Cc1cccnc1OCC(F)F 1760481710 FIBYYUXGONRJTC-UHFFFAOYSA-N 441.526 4.855 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1)C1CCCC1 1766510085 DVHQQHXIQKZSGM-SFHVURJKSA-N 429.515 4.933 30 10 IJEE CCCCCCCCNC(=O)CNC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1861435226 YMQCPYSAPAICIP-UHFFFAOYSA-N 434.584 4.999 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCO3)n(Cc2cccc(Cl)c2)n1 1862365637 YCSJCYDDSOZQNS-UHFFFAOYSA-N 435.911 4.795 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862403961 ILFLETPQGIQRBO-OAQYLSRUSA-N 438.480 4.680 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(OC)cc1 1862457987 BYXRYZJWPOOLOZ-HXUWFJFHSA-N 433.426 4.881 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)c1 1862488760 HXBJNYGOIMUHRX-HSZRJFAPSA-N 447.462 4.632 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 1862504258 PZHQTYZXQNMMGD-HSZRJFAPSA-N 447.510 4.802 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862565336 VNMDVXLMGNZJPZ-HSZRJFAPSA-N 446.503 4.819 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)ccc1O 1862584807 IABQYSZYTCLBNC-SFHVURJKSA-N 436.291 4.694 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(N(C)C)cc1 1862595708 OTTKRUXGVRNYGW-XDHUDOTRSA-N 442.515 4.798 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Br)cc1 1862599916 NDWWKJINQZQMOX-IBGZPJMESA-N 444.325 4.779 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862676406 IISQVVWWOYNGEZ-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(F)c2)c1 1862703855 ZEYGCRDPULYTOJ-NRFANRHFSA-N 437.492 4.717 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)O)cc1 1862715669 XRCHKKYTHUGWOL-QFIPXVFZSA-N 429.472 4.772 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030748 OIEDLPACXZFXJZ-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(CCc3ccc(Cl)cc3)C2=O)c1 1863299138 GWSLJISZMUJDES-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE CCCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 1867048309 XNSMJTWRZYYZQX-QFIPXVFZSA-N 446.576 4.928 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@H](c3ccncc3)C2)nc(-c2ccccc2)n1 1868372056 ABUUQNGWQJTGID-QHCPKHFHSA-N 434.503 4.732 30 10 IJEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870454389 PJODXWUYRXIBDO-SZPZYZBQSA-N 438.612 4.923 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(OC)cc1 1871148876 ZLIYDLUDQBUVNN-UHFFFAOYSA-N 444.572 4.771 30 10 IJEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 1871349756 ZMUJLTWRGMLSOF-QRVIBDJDSA-N 441.462 4.713 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)c1 1871364922 ZYXWQIIRJAPIBG-QRVIBDJDSA-N 446.455 4.613 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)c(OC)c1 1871372067 YNPFLHJPXGDMQM-FMCGGJTJSA-N 448.446 4.916 30 10 IJEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872786969 XSMGFDMTFMGICO-LPHOPBHVSA-N 443.528 4.596 30 10 IJEE CCOC(=O)c1sc(C2=C(N)N(c3cc(C(C)C)cc(C(C)C)c3)CC2=O)nc1C 1872795949 FWRMWMGPDGHXLR-UHFFFAOYSA-N 427.570 4.592 30 10 IJEE CCc1sc([C@H](C#N)C(=O)CN2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(OC)c(OC)c1 1872799217 FFFWBILHIQIYMR-SOLBZPMBSA-N 441.597 4.544 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)c(F)cc2F)C1=O 1873245459 JFGYZWXRDPXENZ-XCLFUZPHSA-N 439.437 4.746 30 10 IJEE C=CCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422781 OQAOLQYCXYAOMC-UHFFFAOYSA-N 433.458 4.750 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4cccc(Cl)c4)CC3=O)sc2C)cc1 1873529823 MIHKYJNEHXUEQO-UHFFFAOYSA-N 425.941 4.887 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 1873737859 KOCGWKCHENKHDH-UHFFFAOYSA-N 427.504 4.930 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1OC 1874230438 JHGCVKJPZCJGDE-FSJBWODESA-N 446.960 4.830 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874263218 MUOROLSJEDWCNH-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1/N=C/c1cccc(Br)c1 1874386046 VZZQXNRMFWHAQF-FYJGNVAPSA-N 429.343 4.780 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874429344 FZWILJWLEOQVPA-FSJBWODESA-N 428.945 4.772 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccnc2)c(C)c1 1874429956 KTIKPWWKIMXUDQ-CVKSISIWSA-N 442.548 4.570 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccs1)c1ccccc1 1874440960 BORSSEUQXLBNGL-BRABVMKYSA-N 441.626 4.780 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1cccc(Cl)c1 1874476121 GQRVGJYMVJUHIK-WSDLNYQXSA-N 432.933 4.828 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)C)cc(OC)c1O 1874510687 VMIUCDOSSPYYNG-FSJBWODESA-N 426.542 4.607 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CC2)cc1 1874518029 XMQDKGIKHYHRQL-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C2CC2)cc(Cl)c1O 1874519995 WPIUEJHOZCUEAG-YDZHTSKRSA-N 428.945 4.740 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)Nc1nccs1 1874612037 YMTPBGXCLODVJS-ORCRQEGFSA-N 434.851 4.988 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1OC 1874693903 BVYVIYPNBIRKGU-FMIVXFBMSA-N 448.471 4.836 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 1875124195 FTOHCZWPQVAUCY-CSHXORCISA-N 445.855 4.627 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875150686 ZUDOYPCYSVYSAY-NTUHNPAUSA-N 430.456 4.858 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 1891178419 WVHXHUWLRYHLCN-UHFFFAOYSA-N 428.960 4.542 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)c(N)c1F 1914932796 MCJMDRHJVMZEOO-UHFFFAOYSA-N 447.757 4.591 30 10 IJEE C=C([C@H](NCC)[C@H](O)c1cc(Br)c(Br)s1)[Si](C)(C)C 1922967758 INMSPNBQVFBXAG-NWDGAFQWSA-N 427.278 4.718 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]2C1 1944456774 FCRBQQYAFSPDLA-AUSJPIAWSA-N 447.498 4.715 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2028183096 KXLYVCZJROCJPT-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)cc2Cl)NC)C1 2077089475 HTWVXSAIXZEUTH-INIZCTEOSA-N 429.786 4.847 30 10 IJEE CCc1nn([C@H](c2ccc(C)cc2F)C(C)(C)C)c(I)c1/C=N/O 2079050514 RXCBPTOXKLXIGY-PPAWOMOGSA-N 443.304 4.941 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C=NO)c2I)cc1 2080034509 BTGHSTMPURKNQF-KRWDZBQOSA-N 441.313 4.673 30 10 IJEE N#Cc1ccc(Br)cc1O[C@@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2162012638 WSPAAIWTDSKLCT-CTNGQTDRSA-N 430.298 4.682 30 10 IJEE COCC[C@@]1(Nc2cc(Br)ccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162312140 DWSGMXTZRDJQRV-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174765912 RIZABLFXRLQZBR-QDMKHBRRSA-N 438.341 4.827 30 10 IJEE CCC[C@H](C#N)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2174819814 QGDRXBWNOVBNAP-OAHLLOKOSA-N 438.366 4.637 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)C1CCCC1 2180866746 PIZFXABYBYYLOX-INIZCTEOSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181141151 IQNCPIGOOZLSIX-HOTGVXAUSA-N 436.350 4.733 30 10 IJEE Cc1cc(Br)c(C(=O)Nc2cc(C#N)ccn2)cc1NC(=O)OC(C)(C)C 2186495466 HDLZQXIOGCJXRM-UHFFFAOYSA-N 431.290 4.624 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)cc1 2232311481 JQQAVJNRDZVCKO-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE CCC1([C@H](C#Cc2ccccc2Br)NC)CCN(C(=O)OC(C)(C)C)CC1 2235721648 QZSCIQUALNBMIU-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C 2235749093 GQXJCCUJXTYJEP-JSFADZTLSA-N 435.406 4.670 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@]1(C)CCN1C(=O)OC(C)(C)C 2237729530 LNKAACMBSNWIHZ-XMSQKQJNSA-N 435.406 4.958 30 10 IJEE Cc1cnc(NC[C@]23CC[C@H]2CCCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241053363 AVUXOZUMHWIWEC-AJTFRIOCSA-N 447.432 4.546 30 10 IJEE CC1(C)OB(c2cccc(Cl)c2C(=O)N(Cc2ccccc2)C2CCC2)OC1(C)C 2247836155 XNCGSVXJWLOAOU-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE C=CCCC1([C@H](O)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2266301183 JPUKNKXXIFCSAV-QGZVFWFLSA-N 426.351 4.694 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267118137 IHKVFLAWEQQWJG-IYARVYRRSA-N 444.381 4.565 30 10 IJEE Cc1ccnc(C(=O)N(Cc2ccccc2)c2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267156212 GQUYPNJQJKERGK-UHFFFAOYSA-N 428.341 4.536 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@H](O)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296278069 ZXTYGOAXRFGQPO-XMSQKQJNSA-N 436.390 4.835 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@@H](N)C#Cc1ccc(Br)cc1 2296293020 FMPNIVMDNWZRNL-SFHVURJKSA-N 431.330 4.856 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2296294870 YLPXLDUXYXZTPI-OALUTQOASA-N 435.406 4.718 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2ccc(F)cc2)C1=C(O)C=Cc1ccccc1 2296930539 QSQYGJQYAYILDM-QHCPKHFHSA-N 443.430 4.706 30 10 IJEE NC(=O)Cn1cc(C=C2SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc21 2297458277 GKRYDDVKKYVKLO-UHFFFAOYSA-N 444.560 4.673 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1)C2=O 2314527180 IPLMIOSVJOMRKN-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cn(C)c2ccccc12 2320990681 PAAQEMZEMALAKX-UHFFFAOYSA-N 446.580 4.562 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)cc(C)c3C2=O)c1 2322748300 QMBASNSYORJGKV-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)cc1OC 2322900898 OEIGNNUZAQUCKH-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CCc2ccccc2)cc(Cl)c1OCC 2323504002 BYPVZJRMMFYNMT-UHFFFAOYSA-N 430.961 4.685 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(OC)cc1)C2=O 2324893305 VHMYSGXETFNCQC-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1OC 2325703956 GCMNMSQMQHCGDG-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)C1CC1 2325725642 KJQRSXWPOHKUPV-UHFFFAOYSA-N 437.236 4.947 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccn1)Nc1ccccc1 2329524403 RHSYHQRCQSLIBJ-UHFFFAOYSA-N 448.939 4.607 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(C(C)C)cc1 2329966435 LTCHPWRBHYXKKG-UHFFFAOYSA-N 449.624 4.801 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccco2)c1 2330821813 CYASEYNDHSHONE-UHFFFAOYSA-N 425.558 4.690 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(O)c1 2331032955 JIMXIQMCSVAPEE-UHFFFAOYSA-N 449.580 4.817 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cc(C)ccc1O 2331326003 OEXJLDUXPLPSIU-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(F)cc1F 2331382621 OHXIXUUDAXUQHC-UHFFFAOYSA-N 443.523 4.775 30 10 IJEE CCc1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCC2)cc1 2331537739 TXESBIMXVXXYHT-UHFFFAOYSA-N 444.564 4.931 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1 2342481517 SOLODUVLNSWESZ-DEOSSOPVSA-N 444.381 4.661 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342484564 CZJBQQJVHOHRRI-QHCPKHFHSA-N 448.344 4.871 30 10 IJEE C#C[C@@H](c1cc(C(F)(F)F)ccc1Br)N1CCN(C(=O)OC(C)(C)C)CC1 2362068776 GDWJNNSPSNWLBR-INIZCTEOSA-N 447.295 4.695 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682894 ZULVMTXXGIEDME-ZCLKUGBOSA-N 447.428 4.768 30 10 IJEE COc1ccc(OC)c([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c1 33321211 RDCNYYGMDFXXCQ-LFVRLGFBSA-N 432.476 4.664 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)S/C(=C/c2cc(OC)cc(OC)c2)C1=O 36258302 JXUBZDNWDADAAY-WOJGMQOQSA-N 445.924 4.901 30 10 IJEE O=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@H]1Cc1ccc(F)cc1 39888272 MZIWTGFPNHIPHU-OGBFJMLUSA-N 427.888 4.903 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(N(C)C)cc1 40085946 CMIFUYJIXOSALD-QHCPKHFHSA-N 436.552 4.838 30 10 IJEE CCOc1cccc([C@@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4F)nn32)c1 54643985 KQBGGQQDJQOZHP-OAQYLSRUSA-N 438.528 4.986 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCOC)C4)C2=O)cc1 62977257 UWVSOIIXEOPRIN-UCQKPKSFSA-N 436.552 4.646 30 10 IJEE CNc1nc(Nc2ccccc2C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 97940208 CIIUMRDNVXRGHR-UHFFFAOYSA-N 435.250 4.548 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)S/C1=N/c1nccs1 100849176 AEJBHWJPBUOEPG-GRYPHDSZSA-N 448.573 4.956 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 102524605 YPGUQHRFLCYIHA-RKKARLDVSA-N 446.890 4.925 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925569 IYCJVWIESCGNEY-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 169927551 AHFQTVYUZDWLQZ-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)cc1OCc1ccc(Cl)cc1 169936678 PQRVVENAAIVICS-QFIPXVFZSA-N 442.968 4.796 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 169959758 NQKFNGRJURYLKG-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1OC(C)C 169976479 KRNIAUDJOBTZAK-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccs2)cc1C 169990010 ALLJIAAYXWDWEQ-FQEVSTJZSA-N 445.500 4.724 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)c1 170097903 MDNZHVWHFJDYGR-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 170140892 DKIPFZGTWPZVIF-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccs2)c(C)c1 170159851 AZEMVHBQZBCSGA-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccnc1 170182997 AVOSJEIAFVBWKL-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)c1 170200293 KQQJFJMXOQQYTO-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccco1 170283972 QVADEGPFESPZMJ-IBGZPJMESA-N 438.823 4.933 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1OC 170286560 FPAHAXUFPMGTJA-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(O)c1)c1ccccc1 170423640 SERAPALUNFSFOI-XMMPIXPASA-N 438.483 4.695 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 170457001 OSKSVYKEFFZEFZ-QHCPKHFHSA-N 428.488 4.995 30 10 IJEE Cc1cc(Br)cc2c(B3OC(C)(C)C(C)(C)O3)cn(C(=O)OC(C)(C)C)c12 199596439 XVALEYZPSLVXBD-UHFFFAOYSA-N 436.155 4.795 30 10 IJEE Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1[N+](=O)[O-] 303326481 IUUIFBDSXPBHPU-NSHDSACASA-N 425.919 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)c2ccc(I)cc2)CC1 309897010 GXIQCQBQRCSPMD-MRXNPFEDSA-N 426.298 4.545 30 10 IJEE N#Cc1cc(F)cc(CNc2ccc(Br)c(I)c2)c1 311640819 PMTOVVPYGKILNH-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)c3sc(-c4ccccc4)nc3C)cc2C1=O 469350176 ZDXUXOVOORMKII-MRXNPFEDSA-N 445.544 4.734 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 475563352 JJRZPWVGLGBZJA-UHFFFAOYSA-N 434.584 4.763 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC3(CCOCC3)c3ccccc32)cc1C 481435591 MYISEANIQUCIMQ-UHFFFAOYSA-N 440.547 4.789 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 508470177 BFEOWSSUYZEEKQ-KRWDZBQOSA-N 425.627 4.836 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)N3CC[C@](F)(c4cccc(C(F)(F)F)c4)C3)on2)c1 512387260 RYYOPRWZZSYDJX-OAQYLSRUSA-N 429.373 4.943 30 10 IJEE Cc1ccc(SC2=C(N(C)c3ccccc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526685901 GQXLDOVMSDQYSC-UHFFFAOYSA-N 425.513 4.880 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 531869501 JRBOQABZKPUOSO-LJQANCHMSA-N 434.536 4.721 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 532380427 ZHLNJOZTZVYYSD-LJQANCHMSA-N 434.536 4.721 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@]2(CCCOC2)C1 555240534 PABQYJMMGFXBCJ-HSZRJFAPSA-N 428.602 4.552 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 558993995 APIFONYEJBBVJH-CYFREDJKSA-N 427.552 4.893 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C2CCOCC2)CC1 580101314 MOLUZGGVYJDPCM-UHFFFAOYSA-N 430.980 4.826 30 10 IJEE CCOC(=O)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(CC)cc2)cc1 586238522 XUKJIZQMUFAIQA-UHFFFAOYSA-N 448.544 4.693 30 10 IJEE C=CCN(C(=O)Cc1sc(C)nc1-c1cccs1)c1nc(C(=O)OCC)cs1 604533652 CSJOOXJSSORQRY-UHFFFAOYSA-N 433.580 4.575 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 605302140 ZRQLPZDWUPVBRF-UHFFFAOYSA-N 447.304 4.915 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(OC)c(Br)c1 698378362 VGGFWGJIZGNFLG-KRWDZBQOSA-N 440.382 4.601 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cccc(OC2CCCC2)c1 731260536 DRDVBWJBWVCVJW-SFHVURJKSA-N 436.508 4.509 30 10 IJEE O=C(/C=C/c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc(C(F)(F)F)nc1O 732714596 VTVAUFMHUBTJHW-SOFGYWHQSA-N 438.203 4.855 30 10 IJEE C[C@@H](OC(=O)C1(c2cccc(Cl)c2)CCC1)C(=O)Nc1sc2c(c1C#N)CCC2 744536287 GWQFELQVPIOPTJ-CYBMUJFWSA-N 428.941 4.754 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 744839908 LNTXXRLOVNNXDM-BFUOFWGJSA-N 435.307 4.839 30 10 IJEE Cc1ccccc1Sc1ccc(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 787056557 PAVZVJSNAIZAGF-NRFANRHFSA-N 445.500 4.693 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)O[C@H]3CCCN(c4ccc(F)cc4C#N)C3)o2)cc1 789475429 FUGNJLVSZYBQDB-NRFANRHFSA-N 449.482 4.506 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CCCN1C(=O)OC(C)(C)C 790293603 OPNKLVWIQQARFB-IQGLISFBSA-N 439.556 4.880 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 802576589 XLFIJSFYFQRABI-SFHVURJKSA-N 427.474 4.853 30 10 IJEE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NN=c1c2ccccc2[nH]c2ccccc12 1083880305 XUJAVQMKYAAEQR-UHFFFAOYSA-N 436.475 4.967 30 10 IJEE COC(=O)c1c(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)sc(Cc2ccccc2)c1C 1084069328 WRRQKYKSBRRYGI-UHFFFAOYSA-N 438.461 4.821 30 10 IJEE CC(C)(C)OC(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084451665 HECJUZYOTPAVFV-UHFFFAOYSA-N 433.537 4.991 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(c3ccccc3)CCCCCC2)cc1 1125155775 OTHCNPQTXZWBLZ-UHFFFAOYSA-N 426.582 4.724 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)cc1 1125246612 ZODNBIOBXMAWQJ-UHFFFAOYSA-N 435.549 4.939 30 10 IJEE C=CCOc1ccc(CN(C(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)C(C)(C)C)cc1 1128251674 GWSARSYXIMKVTM-DEOSSOPVSA-N 433.552 4.602 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1130820994 GQSKNVHZLGYEFS-UHFFFAOYSA-N 434.923 4.972 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 1137722095 WARZOCMVDFPIOS-HZPDHXFCSA-N 426.916 4.580 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1cccc(Br)c1 1146469251 YNQKWLQZRLXSQF-GOSISDBHSA-N 439.394 4.748 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Br)s2)n1 1159779639 VZYZLQRXXUEWHD-LBPRGKRZSA-N 425.373 4.774 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2ccc(OCC#N)cc2)C1 1171882084 HNAVCSMMGJJFOQ-DHIUTWEWSA-N 439.531 4.611 30 10 IJEE C=CCCCC[C@H](C)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1205531024 URUFOANGQLXDKM-PXNSSMCTSA-N 426.386 4.980 30 10 IJEE CON1CCC(N(C)C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CC1 1206442548 HHPZUPWWESLVLF-UHFFFAOYSA-N 430.961 4.852 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(-c4cccc(F)c4)c(F)c3)CC2)c(F)c1 1216100990 DAZUCGQBOIJQME-UHFFFAOYSA-N 436.437 4.997 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 1221729687 AINCXSWHSKBADL-JOCHJYFZSA-N 435.612 4.845 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 1264469548 MJUHOQFDNBOUSG-UHFFFAOYSA-N 426.513 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC[C@H]1OC 1286277008 VULYTCFQUNMHKG-FFZOFVMBSA-N 435.597 4.650 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C(C)C)C1 1286337808 VRDIIBKJQXYVST-XMMPIXPASA-N 431.584 4.627 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC(F)(F)F 1286338652 FGWZCFYVGWQDTA-UHFFFAOYSA-N 435.675 4.773 30 10 IJEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccsc1Br 1286366163 WICCQRMCGVUJDE-UHFFFAOYSA-N 427.327 4.633 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286382622 UGKXVAWPACOLNK-IAGOWNOFSA-N 436.478 4.619 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C(C)C)cs1 1286437309 DONHHLSMNXTTJG-UHFFFAOYSA-N 444.402 4.795 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCOC1CCCC1 1286458419 TZYXENMGHWRKAC-UHFFFAOYSA-N 426.580 4.995 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2Cc3ccc(Br)cc3C2)nnc1C(C)(C)C 1286568804 YKSMAVDTKPUKIN-VQIMIIECSA-N 445.405 4.840 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1286649377 SVRGOYHOSYPGMK-LJQANCHMSA-N 431.625 4.813 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@](C)(O)c2ccccc2)CC1 1286651043 QCGJIOICLVZRDP-XLGIIRLISA-N 438.616 4.651 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2CCOCC2)CC1 1286664189 RURYPCYLLGVHDM-UHFFFAOYSA-N 438.616 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 1286674188 OPWIGQLCLBXFDQ-UHFFFAOYSA-N 439.648 4.595 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCCC1 1286743090 YYYPIDKBUMRMDS-QHCPKHFHSA-N 449.599 4.933 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1286744627 KETNOYCEDHSKGV-PMACEKPBSA-N 427.612 4.929 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)c(Cl)c2)C1 1286805749 SDAFXYKDESJYFW-MRXNPFEDSA-N 448.329 4.616 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286824090 TXPUOJJDLWSUTM-IBGZPJMESA-N 431.625 4.562 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)CN1CCCC1 1286959775 ALBYLUGLCNHPEI-RBUKOAKNSA-N 440.661 4.603 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(C)cc(Br)c3C2)cc1OC 1287728645 GSYLIUBWXSNQAD-VURMDHGXSA-N 442.353 4.929 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 1287739560 ACEKTQUIRGNCMB-RCZVLFRGSA-N 426.653 4.509 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)n1 1290664149 FWXCGSCYYSEDPI-HSZRJFAPSA-N 431.588 4.593 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1c(C)cccc1C)C(C)(C)C 1295060679 PMLNWXPEAUYSOU-WOJBJXKFSA-N 430.589 4.520 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](C)C2)ccc1Cl 1295083140 XXLTZOCLECEMCP-ZWKOTPCHSA-N 447.000 4.839 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC 1296313055 MSQXBJSOAKFUDP-CYIGTMLWSA-N 447.453 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C(C)(C)C)no1 1300275666 YDQCRURRBASZCB-JKSUJKDBSA-N 441.963 4.863 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCCCC1 1300280861 GITCKKUCQYLQSY-SFHVURJKSA-N 437.588 4.757 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)C1 1300341891 MKCKEJIGNXZFJN-JPYJTQIMSA-N 430.980 4.880 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)CCc1ccc(Br)cc1 1300362095 KPHVXIFXVXPZDF-FQEVSTJZSA-N 445.405 4.765 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCOC1CCCCC1 1300440234 QCMGHYFIQROHNF-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccccc1F 1300886642 ZVEUOVXRGPEFAB-UBBRYJJRSA-N 428.552 4.837 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)c1ccccc1 1300925564 XJOXXAZTIULIOL-BHIFYINESA-N 426.605 4.987 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2ccco2)C1 1300981104 YQWYLOJCPYXQTM-FQEVSTJZSA-N 446.910 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1301141062 HZUUSEKNCCKJCP-SFHVURJKSA-N 428.577 4.570 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301203262 WAZBFAHBXNOIJJ-PBHICJAKSA-N 444.885 4.805 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2cccc(Br)c2C1 1301475416 RCLBRODPBOTSRS-VQIMIIECSA-N 445.405 4.708 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](SCC)C1 1301535532 LURYKKSLWHLVGX-IFMALSPDSA-N 442.629 4.855 30 10 IJEE N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 1302982217 GORRPFILWDNDAJ-UYAOXDASSA-N 447.505 4.537 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(C)c1C 1307250128 WWTKLDYCQQTZHJ-IBGZPJMESA-N 435.593 4.908 30 10 IJEE COc1ccc([C@H](NCCC(=O)Nc2sc3c(c2C#N)CCC3)c2ccc(F)cc2)cc1 1307551400 IFNKAHQQMBUXIR-XMMPIXPASA-N 449.551 4.964 30 10 IJEE CCCOc1ccc(Br)cc1CNC1CCC(Oc2ncccc2C#N)CC1 1308377276 BHBGSUUBANYXFT-UHFFFAOYSA-N 444.373 4.984 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1nc(-c2cccs2)no1 1310864490 ZBRPNBYWVOMNDG-UHFFFAOYSA-N 449.330 4.789 30 10 IJEE C#CCC[C@@H](O)CNC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1311347730 GJKVWMFNKZUNLZ-APWZRJJASA-N 444.362 4.680 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1c(Cl)cc(Br)cc1Cl 1312004265 YBBRPJCTLQOBHO-UHFFFAOYSA-N 442.140 4.767 30 10 IJEE CC#CCCCC(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1349105107 LUPVTOKOYGEKPL-FDDCHVKYSA-N 447.984 4.827 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1350614835 ADAHMEMEVAULPH-MHECFPHRSA-N 426.495 4.783 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COc1ccccc1-c1ccccc1 1353818433 PDCGIMWUKUIGNN-UHFFFAOYSA-N 432.472 4.862 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)c2ccc(F)c(F)c2)c(C(=O)OCC)c1C 1355010311 WKVCCMHVAXBJGM-LLVKDONJSA-N 437.464 4.596 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(CC)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1355334089 DJCZRLZHBDVJAN-OAQYLSRUSA-N 431.561 4.865 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCCCCC1 1358899824 VQOQBPDIMMBFQC-KRWDZBQOSA-N 433.021 4.767 30 10 IJEE C#CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccccc1Br 1358936023 AIDUBMFCJNSKTC-MRXNPFEDSA-N 447.287 4.641 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC[C@H]1OC 1359001797 DEGFRDSFHPRXAY-WOJBJXKFSA-N 435.597 4.652 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1359059601 TVYPYBQCSVQJNS-KRWDZBQOSA-N 426.611 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(Cl)c1 1359074362 ADVGIHCDTSVAKM-YOSAUDMPSA-N 426.992 4.891 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)C)CC1 1359093622 PVUBRVOMQRIGCM-UNMCSNQZSA-N 444.023 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)C1CCCCC1 1359114445 LNOIKDYTBZSTFA-VWLOTQADSA-N 426.605 4.611 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1cccs1)Cc1cccs1 1359125412 BQUXSBDJDMQTQG-PXNSSMCTSA-N 444.626 4.908 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1359155991 QMGDHGSJTGJZGI-UHFFFAOYSA-N 442.947 4.800 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 1359179112 MDQLXZALRVDGMY-UHFFFAOYSA-N 433.556 4.773 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359216253 SAHGEIDDSVTYPT-GHTZIAJQSA-N 426.561 4.541 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCSC1(C)C 1359261162 YKGBPTUCXJHKDB-RTBURBONSA-N 430.593 4.645 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N(C)C 1359276671 MCXVCPJRDWMUHA-UHFFFAOYSA-N 449.599 4.549 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 1436656916 LDSBKLSPYRPKAU-URZJWIJPSA-N 444.984 4.640 30 10 IJEE COc1ccc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1Br 1459256829 FWKOYWDHACHBFJ-CQSZACIVSA-N 449.370 4.894 30 10 IJEE N#Cc1ccc(CN2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)c(Cl)c1 1460810873 FPCLOQPYWVEZRQ-HXUWFJFHSA-N 427.733 4.845 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1465535685 SBUYVTBMAWSCGC-DEOSSOPVSA-N 429.561 4.896 30 10 IJEE C#C[C@@H](NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1)c1ccccc1 1465743889 XLKFYDBJUZCIAB-GOSISDBHSA-N 426.339 4.992 30 10 IJEE CC(=O)N1Cc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)cc2C1 1466515694 GJZIZVMDNAHZTB-UHFFFAOYSA-N 442.523 4.548 30 10 IJEE C[C@@H](CO[C@H]1CCOC1)NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1466867670 HNNYSFVJCRNSCP-KSSFIOAISA-N 431.945 4.678 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)[C@@H]1CCc2ncsc2C1 1469799533 MSCMQJZZSJXSNY-IEBWSBKVSA-N 435.634 4.879 30 10 IJEE C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1476056539 GXEPTPYPTQWDJO-RKXCMPKHSA-N 434.521 4.708 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1497210380 HLJPEEJCGZWHSY-DFBJGRDBSA-N 449.555 4.672 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCCN1CCC[C@H](C)C1 1507519132 YBSUWRYGJWYIEX-PCCBWWKXSA-N 441.595 4.527 30 10 IJEE C#CCCCCn1c(N2C[C@@H](CCN3CCCC3=O)c3ccccc32)nnc1C(C)(C)C 1507575103 SIPCWWKSSILZHT-HXUWFJFHSA-N 433.600 4.627 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C1CCN(CCC)CC1 1507598153 CJEVJNDDMUWWIK-UHFFFAOYSA-N 446.064 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507821383 AAPCIWOJDCBTQY-OALUTQOASA-N 438.542 4.911 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCn2cc(Cl)cn2)CC1 1507900055 DCGBLKMOHFEXFE-UHFFFAOYSA-N 447.370 4.560 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1507911580 MYBVCNZARQIJEJ-ICSRJNTNSA-N 441.620 4.970 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1507950173 ADSWZTGPPJDTSW-IBGZPJMESA-N 439.510 4.556 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1507967145 CFSPDYOLECNAHH-PMACEKPBSA-N 429.584 4.547 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1507971732 BWJKTSFJEXFISI-KRWDZBQOSA-N 433.547 4.679 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1507995340 IDBOAKJTRAKBFW-XMMPIXPASA-N 438.597 4.598 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1sc(C)nc1C 1508024051 HSFYFLKPBQDOEK-NRFANRHFSA-N 437.613 4.876 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1ccccc1F 1508067677 NVKOMQOQQPBFQW-LPHOPBHVSA-N 429.540 4.873 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1512073705 GEDUWZCWEAGKIB-ZUEZHPSSSA-N 434.632 4.952 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](CC)c3cccc(Br)c3)cc2C1=O 1521199457 FLIWHYXZNFZNOE-SFHVURJKSA-N 428.282 4.539 30 10 IJEE C=C(C)[C@H](NC(=O)Cc1cccc(I)c1)c1ccc(F)c(F)c1 1523234013 UBYSOCZBDPAMHR-SFHVURJKSA-N 427.232 4.546 30 10 IJEE Cn1nc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1Br 1525276653 FIVMLTRZRJGYNH-OAHLLOKOSA-N 429.705 4.744 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCOc1ccc2c(c1)OCO2 1528000967 NJFOHBFNOLJUBF-UHFFFAOYSA-N 434.286 4.540 30 10 IJEE C#Cc1cncc(C(=O)Nc2cc(-c3cccc(Br)c3)sc2C(=O)OC)c1 1528353049 CNSOJGYIKHQXFK-UHFFFAOYSA-N 441.306 4.593 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1528528652 VACWMALGZKTFKE-JTHBVZDNSA-N 446.657 4.572 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1nc2ccc(I)cc2[nH]1 1529776982 JJXVLGXLUIMLLA-UHFFFAOYSA-N 435.290 4.698 30 10 IJEE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1532004948 AMFNFTJFNPKADE-HOTGVXAUSA-N 425.916 4.632 30 10 IJEE C=C[C@H](CC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1ccccc1 1533929076 BDPCCNZSIFSZPN-HMFYCAOWSA-N 430.951 4.717 30 10 IJEE C=CCN(C(=O)c1scc(C)c1Br)[C@H](Cc1ccccc1)C(=O)OCC 1537317302 QBGSOUYPTBFASA-MRXNPFEDSA-N 436.371 4.622 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](C)C1 1539617386 WDJFEIVNUJQVHS-XTCYKFNRSA-N 428.552 4.631 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC(C)C)C(C)C 1539620464 LKGGZCSLEXLXPT-AUSIDOKSSA-N 442.604 4.814 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1539636485 KWJUZIXIPUBYKQ-RCZVLFRGSA-N 449.574 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC1(c2ccccc2C)CCOCC1 1539674641 ZSPKZEZLNZEJKQ-UHFFFAOYSA-N 445.611 4.723 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](c2ccco2)C1 1539757845 BCUAVQUJZOYXMQ-NRFANRHFSA-N 436.556 4.654 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1539836276 ONWZNWXJVYAANG-ROUUACIJSA-N 430.980 4.969 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1539947338 KSOZFRIPQVWUTA-WOJBJXKFSA-N 431.625 4.887 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)CC1 1539960521 CSXWHCHAMKXREQ-IBGZPJMESA-N 434.588 4.658 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccnc(C(F)(F)F)c1 1540087180 QFZMYFMRZUNTSF-UHFFFAOYSA-N 437.853 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C(C)C)N1CCCC1 1540142081 HHVIUHHVWDEIIA-VXKWHMMOSA-N 443.661 4.894 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H]1CCCCO1 1540191994 UBPMBRIDEBLAOW-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1540866751 YXUNBNUGKONMNS-GMBSWORKSA-N 448.398 4.569 30 10 IJEE C=CCc1ccc(OCC(=O)NCC/C=C\c2ccc(Br)cc2)c(OC)c1 1542563526 VBRUHYITNODFOK-DAXSKMNVSA-N 430.342 4.785 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)OC(C)(C)C)C1CC1 1559333068 DMQAGLYDOVBCFV-GOSISDBHSA-N 435.977 4.909 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3C[C@@H](C)C[C@@H](C)C3)C(C)C)o2)cc1 1559384176 AKEZRFYSPRQWTG-FUHIMQAGSA-N 429.586 4.923 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)cc1 1560036499 GDWBGWJLOPMRFT-HHHXNRCGSA-N 429.608 4.619 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)CCCCC1 1562907156 PLQOQQMVJPXLFV-UHFFFAOYSA-N 426.492 4.773 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](NC2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 1564406383 FGCPVUNWYHFAIZ-NHCUHLMSSA-N 439.522 4.655 30 10 IJEE C#C[C@H](NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc(F)cc1 1564428986 LQERMCOFNWTPIJ-NRFANRHFSA-N 434.342 4.771 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)CC)C3)C1=O 1568184635 ZIPFVQVGXXZXJT-MBSDFSHPSA-N 433.596 4.635 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F 1570419368 BIPWOGDWZQNBSH-LEWJYISDSA-N 441.478 4.596 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 1583070444 KSMRBULNBPEMEP-VLIAUNLRSA-N 425.342 4.523 30 10 IJEE Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)c1 1583322885 BQZYIYFZFDTAAW-LJQANCHMSA-N 433.552 4.843 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1585624395 FVMYXNCRLMNRIX-IIDMSEBBSA-N 439.478 4.592 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nnn(-c2cccc(Cl)c2)c1CCC)c1ccccc1 1586028130 YQLKGXAQLCDPIU-GDLZYMKVSA-N 428.945 4.727 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)c1 1587433241 FZPBXDKUXZQCCO-QHCPKHFHSA-N 434.442 4.629 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1587872906 YZQIQURHTWPFBO-UHFFFAOYSA-N 433.503 4.588 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1587884320 VCMHXVOFVRJABE-NRFANRHFSA-N 449.624 4.524 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CCN(CCC)CC1 1588265510 BVCANSKGAQYACK-QFIPXVFZSA-N 437.632 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1589543911 CRJRCFSSWMFHBS-NWSQWKLXSA-N 445.007 4.689 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1594193077 NSRDDZSCAJASPE-CEWLAPEOSA-N 448.652 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1594460804 CGXYNODCHGYROZ-SANMLTNESA-N 437.632 4.807 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1 1594726557 COGQYOFSPDXIGF-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1CSC 1594727176 LLGQKMDUXQOPEO-RTBURBONSA-N 449.665 4.691 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](OC)C(C)(C)C)C1CC1 1595044646 XQLYARLDKLGOJW-GOSISDBHSA-N 433.394 4.924 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1cn2ccsc2n1 1595239223 HKQNZCNHRRTXTB-UHFFFAOYSA-N 434.613 4.859 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1595411452 QJFSXJRLBDXAFS-INIZCTEOSA-N 429.540 4.790 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2ccsc2)C1 1595745614 UKZSTLWJEGAPNV-HXUWFJFHSA-N 444.988 4.596 30 10 IJEE COc1cc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)c(Br)cc1O 1612570071 GSYYKGTZIQNXPM-UHFFFAOYSA-N 441.329 4.573 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)OC 1613125349 BLKFJGFEXHFADE-MWRIXTAVSA-N 443.567 4.748 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 1621586310 FCGFQXDNNATRAK-UHFFFAOYSA-N 441.745 4.993 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)c1ccc(Cl)cc1F 1622941177 DUQQGXVFYTVZCF-NRFANRHFSA-N 427.907 4.847 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)ccc1OC 1625887529 FREYNVDQQKGNQB-CQSZACIVSA-N 448.401 4.858 30 10 IJEE C=C[C@@H](C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)c1ccccc1 1629828418 ULRDLJPJAVFWMU-HXUWFJFHSA-N 442.357 4.531 30 10 IJEE C#CCCCCCC(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)OC(C)(C)C 1631717642 VPHFAOIMJWYPQD-LJQANCHMSA-N 442.556 4.765 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2cccc(O)c2)CC1)c1ccc(C(F)(F)F)cc1 1633471631 SPXQZNKVIQQXPR-OAQYLSRUSA-N 433.474 4.950 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 1633838043 JSWFABXZNPSKBY-FKBYEOEOSA-N 449.929 4.607 30 10 IJEE Cc1ccccc1CN(Cc1cccnc1)C(=O)NC1CCN(c2ccccc2C#N)CC1 1637448952 ALCFPXLWCSPHPC-UHFFFAOYSA-N 439.563 4.643 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1641503408 RXWOTQNXCPLMJW-FCHUYYIVSA-N 440.584 4.588 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(F)c(Cl)c2)CC(C)C)c1 1642274200 IRVFHVSZQKATCO-UHFFFAOYSA-N 435.948 4.575 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)C1 1643595374 AEYTTWJHSXZCHC-OAHLLOKOSA-N 430.957 4.529 30 10 IJEE COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1 1644241110 FFBLADVOURDTRZ-UPCLLVRISA-N 448.544 4.579 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](c3cccc(F)c3)C2)n(C2CCCCC2)c1C 1644514970 HHANNOHDYWLNOG-HSZRJFAPSA-N 438.547 4.633 30 10 IJEE C#CCN(C(=O)[C@@H](C)Sc1ccccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1645454370 GUQCJVHSZIEZLB-MRXNPFEDSA-N 437.005 4.682 30 10 IJEE C=C(C)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 1646568515 XBRLKEYZBJASPA-UHFFFAOYSA-N 431.521 4.745 30 10 IJEE C=C(C)[C@@H](CO)Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 1651566380 NDNFXMCXRCGURN-LJQANCHMSA-N 444.398 4.979 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973858 ZLUZMJXWICTKAI-UHFFFAOYSA-N 434.536 4.954 30 10 IJEE C#CCN(CC(=O)Nc1sc(Cl)c(-c2ccccc2)c1C(=O)OCC)CC1CC1 1652932941 WCTUFIKDRZFELM-UHFFFAOYSA-N 430.957 4.529 30 10 IJEE C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)Nc1ccccc1F 1658205906 AJEYZNFNNQVFQL-IAGOWNOFSA-N 430.483 4.752 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(F)c3ccccc23)cc1 1665969886 SMFLVPVMCFLLCB-MRXNPFEDSA-N 441.528 4.668 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 1668343380 RMQRVGBANPUHGG-IIBYNOLFSA-N 447.938 4.627 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)cc1 1669448533 KOXGPGULJCGVHY-DEOSSOPVSA-N 434.923 4.949 30 10 IJEE C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681515186 GWTNWMNCYCKJRV-JKSBSHDWSA-N 438.959 4.541 30 10 IJEE C=C(C)CCNC(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 1682513502 PZVVNCIUSPKRIE-UHFFFAOYSA-N 448.430 4.971 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1)c1ccc(Cl)cc1F 1683688901 JMCCQMBEQNCAEA-GOTSBHOMSA-N 427.951 4.705 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1 1683768534 GMEYCXVOPDEPSF-UHFFFAOYSA-N 431.577 4.886 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1689877000 OEZATXSWLKMGKA-QFIPXVFZSA-N 446.599 4.873 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1689879859 JJXBHXSRNOCUQX-VWNXMTODSA-N 444.627 4.711 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1689880328 ZIVYZLQYRRKNEG-UHFFFAOYSA-N 440.494 4.976 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C2CCCC2)CC1 1689921106 ULPIHAHAHRXSBT-UHFFFAOYSA-N 449.643 4.848 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1689922475 OCTYIRDCDIHEPO-UHFFFAOYSA-N 442.611 4.805 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCSCC(F)(F)F 1690088103 BROYCFRBPABANQ-HNNXBMFYSA-N 428.499 4.866 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1690232833 XQGFZKCLWLDQPA-UTKZUKDTSA-N 431.378 4.843 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1690338667 FOIABDGCFHFTNE-MOPGFXCFSA-N 429.996 4.527 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCCCC1)C1CC1 1690541041 KVDMRSCRYLAITP-UHFFFAOYSA-N 449.368 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccco2)C1 1690712323 SSLGVBJUQVABPY-QGZVFWFLSA-N 449.338 4.587 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1690749372 ASDWHQRJSXQOQT-IBGZPJMESA-N 436.984 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@@](=O)C(C)(C)C 1705479716 ODHCABRTEYMXPG-MLNJSSBLSA-N 449.045 4.818 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC2(CCCCC2)O1 1705616971 SATFXGRZZXVBLJ-JOCHJYFZSA-N 436.600 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(C)C)C1 1705705256 FQFHJKDQNMVPTI-FBLLAGFSSA-N 438.616 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705716254 FFDJJMNFTPQSLR-BGYRXZFFSA-N 445.602 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCc1sc(C)nc1C 1705719392 WVVJDDQBITWKST-UHFFFAOYSA-N 434.613 5.000 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1705758201 MKKDCTLPQUJYDI-QGZVFWFLSA-N 434.878 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](OC)C1 1705789100 YNGDWHZSNCMRMV-QGZVFWFLSA-N 433.394 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1705789171 AYBATPJYQICMKZ-QHCPKHFHSA-N 447.583 4.837 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cnccn1 1705794866 WORPESRCAQTJEP-UHFFFAOYSA-N 426.952 4.539 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)C1)c1ccccc1 1705795947 VKGYJXFQOSTWMM-CTNGQTDRSA-N 430.556 4.522 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1705849781 VYXANYLQBRRWSS-ZCNNSNEGSA-N 441.595 4.832 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(CCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)(N(C)C)C1 1708027044 GVMPGCQKGYXOFG-ICTDUYRTSA-N 448.659 4.704 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(OC)CCCCC1 1722278652 RQVDPEMOJFWDSP-WOJBJXKFSA-N 440.588 4.624 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1722321907 DFEBNSGLMPGJIZ-UFYCRDLUSA-N 429.609 4.778 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC[C@H](COC)C1 1722339052 VPPZWWUFASINDV-NRFANRHFSA-N 438.616 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCSCC 1722395316 YRRVUFJCEZKYDM-UHFFFAOYSA-N 445.636 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccsc1)N(C)C 1722467394 ANNLQBHDGVMGDI-NZQKXSOJSA-N 440.016 4.955 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)[C@@H]1CCOC1 1722486550 ZKRPMAZWSUUFMT-GOSISDBHSA-N 449.393 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CCCCNC(=O)OC(C)(C)C 1722513441 ZGISXUZYFQXUGI-UHFFFAOYSA-N 427.593 4.961 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCCCC1 1722531467 SJBDVTSFWKUCOD-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(Cl)s1 1722619431 BZUKKBBMQWBCBJ-UHFFFAOYSA-N 436.006 4.587 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1Cc1cccnc1-n1cccn1 1722658664 IDWLKNRHVPMEAD-IBGZPJMESA-N 445.546 4.752 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCC[C@@H]1C 1722667652 HHIKXBVZWAXESZ-JTSKRJEESA-N 445.405 4.746 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1CC(=O)N(C)C1CCCCC1 1722676602 FHUGHXGDBOUANX-UHFFFAOYSA-N 439.604 4.555 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CC3(O)CCCCCC3)cc2C1 1726514030 IECYQTGRXPZHOW-QZTJIDSGSA-N 441.645 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc([C@@H](C)O)cc1 1740540225 UGRGXRFETDAIBL-OKZBNKHCSA-N 434.609 4.691 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)Cc1cccs1 1740543453 PJYOYJPQTFNCHO-QZTJIDSGSA-N 438.597 4.751 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C(F)(F)C12CCC2 1740632273 QGLCUTYKYIDTHU-QFBILLFUSA-N 444.913 4.580 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCCCCC1 1740746238 OLZZWJMWHJBRFK-UHFFFAOYSA-N 425.321 4.826 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(Br)ccc2C1 1740848034 AHACBTLYEBLSKC-SFHVURJKSA-N 445.405 4.710 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N 1740848929 UPUJXGYGLFSIRR-MOPGFXCFSA-N 444.624 4.733 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740870550 QMFKWZQPTQQHLL-LJQANCHMSA-N 431.531 4.577 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(c2cccc(OC)c2)CC1 1740883868 ILNMRMSVHFKIAD-UHFFFAOYSA-N 436.556 4.832 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1740901452 QLRKJGXBTVLWGG-QGZVFWFLSA-N 448.011 4.648 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCC1CCN(CC)CC1 1740918454 KNIFFTJVAYOTEC-UHFFFAOYSA-N 432.616 4.598 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)[C@H](C)CC 1740925137 KCPVBBQISHODTJ-IIBYNOLFSA-N 433.394 4.683 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 1741004495 CCNNFFTUVSMZLD-ZJSXRUAMSA-N 442.629 4.579 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCCC2)CC1 1748702785 PSMUIJCEGHQMPG-UHFFFAOYSA-N 429.971 4.606 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1748717848 KAQUWIIDJUBTKV-UHFFFAOYSA-N 431.625 4.506 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C(C)C)C1 1748739537 GZLLZVCXAIQDHM-OAHLLOKOSA-N 439.448 4.760 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)c1ccccn1 1748831387 NDVJQOKFYWFLRU-IBGZPJMESA-N 443.620 4.577 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1748943918 FRMISHALHVWGNM-UPVQGACJSA-N 447.558 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1749126606 FDCZIAYTCWAIPH-CKUXNOBLSA-N 438.616 4.850 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CC1CCC1 1749134461 ZABZXROYBZHPPO-FDDCHVKYSA-N 430.543 4.755 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2OCCC2(C)C)CC1 1749330858 PZEOKRKRWQNIIP-LJQANCHMSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1749370299 GSQGFOJYYQNVSB-RUZDIDTESA-N 426.605 4.875 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CC(F)(F)C1 1749386993 QPVHODODTUEWDB-UHFFFAOYSA-N 431.531 4.985 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC=C(C)CC1 1749402322 LWPGZPUGMXQZLG-UHFFFAOYSA-N 429.609 4.905 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCn1cc(Cl)cn1 1749563436 HBUZLVUDGAZNPW-MRXNPFEDSA-N 443.020 4.860 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCC2CC(OC(C)(C)C)C2)C1 1749716926 DZDVZFZXSQLFQM-VEDCXYSMSA-N 444.645 4.696 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1750832170 AMEZFHCIRYHQPP-RUZDIDTESA-N 448.659 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cccnc1OCCCC 1760111097 KAJFCJAOSTYYLC-SFHVURJKSA-N 428.540 4.507 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H](OC)C(F)(F)F 1760228892 WFKJDEJXKXEFQX-KBXCAEBGSA-N 440.535 4.558 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCOc1ccccc1 1760228901 WLZUGMQFUHFOTM-UHFFFAOYSA-N 445.386 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)[C@@H]1C 1760327519 ICQWANZFTWWMAE-LDIYZUBKSA-N 448.677 4.508 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1760350232 AFMCHFHPZNEKHT-VQTJNVASSA-N 432.996 4.831 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCSC2)CC1 1760396875 JXVSKQJAZZNEDC-AZUAARDMSA-N 442.629 4.972 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2cc(C)ccc2OC(F)F)CC1 1760400192 QSIUTPLMKDZPBT-UHFFFAOYSA-N 425.483 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC(C)C)C1CC1 1760412026 UZIMUWOCQJEJLE-UHFFFAOYSA-N 448.615 4.809 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCOC1)c1ccccc1 1760417885 JVQYEXCOEJMVOK-RXVVDRJESA-N 437.975 4.826 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760436633 FFBKALNFBWEDJK-RTWAWAEBSA-N 440.588 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCn2ccnc21 1760497322 AJLOWCOGKCXVNQ-HXUWFJFHSA-N 434.613 4.831 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1760562969 BFIPVXGAMPZZOH-CUWPLCDZSA-N 442.629 4.896 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C)C2)CC1 1761084866 DFUJZGSLGOZBDN-NRFANRHFSA-N 434.632 4.811 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)C1 1761544406 CPCRDWOSBDCSIF-ZEQRLZLVSA-N 442.007 4.702 30 10 IJEE CCOC1(Cn2c([C@H](CC)c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1767497870 HPWGFRWNVDQUQA-NFBKMPQASA-N 425.552 4.611 30 10 IJEE O=C(/C=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 1860726332 NEBBUVACZNMJTP-QHHAFSJGSA-N 444.068 4.885 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1C 1862402620 CSEGGBHZCSLDIQ-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862444351 ZSXWSAZUBXVCCE-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2C(=O)O)cc1 1862477309 KOSAQGKERFAQIY-QHCPKHFHSA-N 441.483 4.780 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc3c(c2)CCCN3C)ccc1F 1862509591 MAFYASONTGRLDQ-QHCPKHFHSA-N 436.527 4.751 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(O)c(O)c1 1862517967 ZDYNVAQRXQUWNU-QFIPXVFZSA-N 439.508 4.655 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(C)c2)cc1 1862554489 DQLXTIMAJILANK-XDHUDOTRSA-N 442.515 4.925 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2F)c1 1862556133 PNPJJEBIFOJGJI-TVQFERKRSA-N 446.522 4.955 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(F)(F)F)cc2)c1 1862562904 QMMYNQGQCLYILG-IBGZPJMESA-N 430.426 4.809 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862642949 RVTRDJDUSOAQNT-HXUWFJFHSA-N 442.443 4.511 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862645004 YEQGTWOFVXSNSF-IVZQSRNASA-N 441.499 5.000 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(c2cccc(Cl)c2)C1=O 1862859338 IZIILDCQKVJBEF-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccc(F)c(F)c2)C1=O 1862948420 QFLNMZPOTZQOHV-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(C)cc3)C2=O)cc1 1863210538 CCOHWUWAHKNRCK-UHFFFAOYSA-N 437.499 4.658 30 10 IJEE C=CCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCCCCCCCCC)C1=O 1863520314 LVNANVCGLHNNPJ-UHFFFAOYSA-N 428.573 4.700 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(C)cc2)C1=O 1863621321 LHWZOIYNOBEZBW-UHFFFAOYSA-N 427.633 4.757 30 10 IJEE CC(C)[C@@H](C(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(F)cc1 1866972218 YBEXCBANDCZHPR-DNQXCXABSA-N 429.495 4.933 30 10 IJEE C=CCN(CC=C)C(=O)CNC(=O)C[C@@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1 1869021684 YHKCJTKIDHJRQJ-QHCPKHFHSA-N 440.971 4.578 30 10 IJEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)Cc1ccc(Cl)cc1 1870147154 BEIGDJJQUVSBDF-UHFFFAOYSA-N 428.883 4.717 30 10 IJEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 1870156980 JYIUVWVPKUFDNA-CYBMUJFWSA-N 444.322 4.975 30 10 IJEE C=CCn1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(I)c1C 1871323628 FNYCPJMNNXSSHI-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871365892 JMIGPUYDWIREOA-ZSOIEALJSA-N 442.638 4.795 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871428845 XAHQBJOEMYARMB-IWIPYMOSSA-N 449.503 4.626 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)C1CC1 1871833213 MEWNCIYDXCHRPW-QHCPKHFHSA-N 426.582 4.689 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 1871972841 LFUIACQQTIJURF-OAQYLSRUSA-N 436.524 4.729 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872227499 XSVOQIOVXDXOSM-QFIPXVFZSA-N 428.598 4.887 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1)S(=O)(=O)CCCC 1872459858 ZYKXRHPTANQJNI-NRFANRHFSA-N 434.989 4.946 30 10 IJEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)CNC(=O)c2ccccc2)n1 1872777396 MPNCDPBQWQRCKV-LJQANCHMSA-N 447.560 4.722 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCCCCCO)ncnc21 1873629617 LFWQYJRBMRZGEQ-UHFFFAOYSA-N 435.572 4.787 30 10 IJEE CCOc1cc(/C=N/Nc2ncnc3c2[nH]c2cc(OC)c(OC)cc23)ccc1OC(C)C 1873795211 CCQIADWNEBOQQI-KKMKTNMSSA-N 449.511 4.760 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccccc1F 1874235634 SIXLSFOODMVKEX-ZMOGYAJESA-N 426.517 4.945 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874269159 MZCOGOHGOMRGDO-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc(OC)c1OC 1874304335 TUPAGJYOHAKOIH-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1O 1874321387 PEKHVNWBPKTXKZ-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874385875 MXWJNCAFGAKSEK-FYJGNVAPSA-N 429.343 4.780 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC 1874593811 CPBMMACCZPNPEG-ZRDIBKRKSA-N 425.525 4.627 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OC)CSc2nnc(CCOC)n21 1874908274 OKIWFMUIWYIVEA-LJQANCHMSA-N 446.617 4.538 30 10 IJEE C#C[C@H]1N(C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1(C)C 1899917057 YKXPROKSQMROKR-JWQCQUIFSA-N 444.575 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 1922057894 QRQPGPLQTUBHEI-ZRAZWPEBSA-N 446.632 4.524 30 10 IJEE CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cnoc1C(=O)O 1952629606 HUYQQSVVXYIYNF-HXUWFJFHSA-N 438.505 4.661 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959031395 RHWCEUDOVXAKQL-HYBUGGRVSA-N 439.487 4.918 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NC 2047970655 MBVUBWZTPYSRMC-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE C=CCC1(C(=O)N[C@H](C)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2066551354 UYJDOQBJEKTKDF-GFCCVEGCSA-N 429.380 4.501 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C)c(C=NO)c2I)c(F)c1F 2079854945 LWGCNVWLSFVOEV-INIZCTEOSA-N 445.251 4.580 30 10 IJEE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2080004173 WYDYIMKKYYYNLI-QGZVFWFLSA-N 447.320 4.733 30 10 IJEE CC(=O)Oc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080095086 OSJYXJCUKZAIBB-KRWDZBQOSA-N 436.350 4.922 30 10 IJEE COc1ccc(Br)c(-c2c(C3CCCCC3)nn3c(O)c(C#N)cnc23)c1 2081535663 SYDKITMCSZJHKD-UHFFFAOYSA-N 427.302 4.792 30 10 IJEE CCc1ccc(C#N)c(NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2084884643 WYEYTCPNQHHWLU-UHFFFAOYSA-N 446.592 4.731 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Br)cc(OC)c2)C1 2136320240 NNCDATDQPRJUPP-QGZVFWFLSA-N 425.367 4.722 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1C#N 2174558728 CSCIGEXDWALXJI-REPLKXPHSA-N 434.378 4.683 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(c3cc(Br)cc(F)c3C#N)CC[C@H]21 2174810474 MXQMJBHUSVYWBG-CXAGYDPISA-N 438.341 4.686 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OC)c(Br)c1OC 2183070912 FKWYTJYWJPSBIZ-WMLDXEAASA-N 443.382 4.586 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1(C)C 2186211871 JIVMBFRVDLHFAK-XJKSGUPXSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Oc3cc(Br)cnc3C#N)C(C)(C)[C@@H]21 2198815597 NUHRCCVXTAHRLK-IAOVAPTHSA-N 436.350 4.519 30 10 IJEE C=CCC1([C@@H](C#Cc2ccccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 2235726949 JMORHFINDALUCC-LJQANCHMSA-N 433.390 4.592 30 10 IJEE CN(Cc1ccc([C@@H](N)C#Cc2ccccc2Br)cc1)C(=O)OC(C)(C)C 2235745506 CXUQACNWYWIXHS-FQEVSTJZSA-N 429.358 4.868 30 10 IJEE CCN[C@H](CC#CC1CCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2251482022 YWPADWJZTQDBRT-XMMPIXPASA-N 427.633 4.575 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCC(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1 2261820787 PDVOBYXOKFEZGR-UXIGSVSMSA-N 447.572 4.703 30 10 IJEE CC1(C)OB([C@H]2C[C@H](C(=O)NCCc3cccc(OCc4ccccc4)c3)C2)OC1(C)C 2267096394 SJORCHLMMCHANP-HZCBDIJESA-N 435.373 4.797 30 10 IJEE C[C@H]1[C@@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267097538 POXIYZPBIYEBDE-ZXDFIECXSA-N 440.437 4.664 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267243685 ZEMDXYYCIHOOKJ-KOUNCHBCSA-N 438.421 4.657 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(C#N)(Nc1cccc(Br)c1)C2 2270392923 YYXUEHQAQSAYRB-HZPDHXFCSA-N 438.391 4.638 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1c(Br)ccc(OC)c1N 2270561469 QENPOJKMDDXDGL-IBGZPJMESA-N 429.355 4.526 30 10 IJEE C[Si](C)(C)C#CC[C@@H](OCC(=O)O)c1scc(Br)c1Br 2290777139 VYUMIFVFHYNYLB-SNVBAGLBSA-N 440.229 4.686 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2ccc(Cl)cc2)C1=C(O)c1ccccc1 2296091303 JOXUUAMGHIRBOM-FQEVSTJZSA-N 433.847 4.665 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1 2296215784 DMXDYTHAYDFSJL-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCCC12CCC(O)(C#Cc1ccc(Br)cc1)CC2 2296278899 JERPMFWVZJMQPW-UHFFFAOYSA-N 434.374 4.875 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2296300740 LYXSNCFLHDZURU-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CCCOc1ccc([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296605003 VIRXOYSPEWSWES-OAQYLSRUSA-N 436.439 4.537 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2306522201 KAIDLQCINXETNM-IZZGNVEXSA-N 428.573 4.601 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1 2309988873 CQRIFOYPGVATFY-XLNZFTOWSA-N 443.544 4.728 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2314477663 KHMYYZLBHURGOM-XMMPIXPASA-N 440.455 4.773 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2c(F)cccc2Cl)cc1C 2321079995 VMOZQUHKRQSEMS-UHFFFAOYSA-N 431.924 4.609 30 10 IJEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2321850109 GGHOUSZPIWMNMC-UHFFFAOYSA-N 431.400 4.827 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2Cc2ccc(C)cc2)c1OCc1ccccc1 2321968524 XURHZYNJTHCGEK-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE Cc1ccccc1CCc1nnc(S)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2321993826 QDBTXGPLPJZBHD-UHFFFAOYSA-N 442.544 4.762 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)c1 2323034336 QMPIVIJGIPPGGK-UHFFFAOYSA-N 443.666 4.596 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)c(OC)c1 2323770460 WUALEISSGSVYPP-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCCOc1ccc(C=NNc2nc(C)c(C(=O)OCC)s2)cc1Br 2323870780 UQZYPJRMSBPICS-UHFFFAOYSA-N 426.336 4.626 30 10 IJEE CCCCN(CCO)Cc1c(O)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2324178788 UYNRBKDACJXBSW-UHFFFAOYSA-N 436.335 4.910 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 2325721133 SIRVLKSRVGEIBI-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccccc1C(=O)O 2327023065 JEQKOHUGLFICDO-UHFFFAOYSA-N 438.553 4.681 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2327571091 GHNHWXFBYKFMRT-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)cc1 2328571623 RIHTUEWUYIWNEM-UHFFFAOYSA-N 445.592 4.893 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc[nH]2)c1 2328615242 FBTXETMDJGKWND-UHFFFAOYSA-N 431.565 4.883 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(O)c1 2329101341 YVGHHKTXVANJLS-UHFFFAOYSA-N 428.945 4.787 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2ccco2)cc1C 2330456241 XCEQEURNNNZKED-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1cc(Br)cc(OC)c1O 2331205006 STAIAKGEJVQJNK-UHFFFAOYSA-N 449.330 4.565 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(CCOC)nnc2SCc2ccccc2F)cc1 2331281685 FDGHWZRKNKPMDV-UHFFFAOYSA-N 441.576 4.627 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C(C)(C)C 2331377602 QMNQRPJVHIGUIL-UHFFFAOYSA-N 437.569 4.506 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCC(=O)N[C@H](C)c1ccccc1 2331472655 KWQFRETWBOYINU-QGZVFWFLSA-N 441.626 4.698 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1c[nH]c2ccccc12 2331645300 ABWVBIUFQUMMOT-UHFFFAOYSA-N 446.580 4.887 30 10 IJEE C=C1CC(CNC(C)C)(Cc2ccc(I)c(Br)c2)C1 2349811089 IDDLLDNXGDNWKD-UHFFFAOYSA-N 434.159 4.931 30 10 IJEE Cc1cnc(N(C)[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)c1 2357063515 LIHCXHPMGJLORM-KHUIQGCPSA-N 448.416 4.509 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2363543751 JGBZHXPKQUOWBQ-RBUKOAKNSA-N 449.414 4.586 30 10 IJEE Cc1cc(CN2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369740888 DYDBGEFKPPNKEO-LOSJGSFVSA-N 446.444 4.533 30 10 IJEE CC1(C)C[C@](Nc2ccc(Br)c(C#N)c2)(C(=O)O)[C@H]1OCc1ccccc1 2378357445 SMLBCTNQRKJVBA-GHTZIAJQSA-N 429.314 4.571 30 10 IJEE CSc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(C)cc3)c3ccccc32)c1 3041242 QIWVGHTZZSHLBC-ROMGYVFFSA-N 446.601 4.954 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C(C)(C)C)cc1 33752851 NHKIFAINPGWAAN-JOCHJYFZSA-N 433.504 4.955 30 10 IJEE C=CCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 36306320 WJJFSWDMIMKFPR-QHCPKHFHSA-N 449.595 4.963 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 63394191 CQIWTWYDNPGKLD-UHFFFAOYSA-N 436.512 4.877 30 10 IJEE C=CCc1ccc(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c(OC)c1 102468103 KNZJNEOYBIWPCV-RCCKNPSSSA-N 441.574 4.713 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953446 FBPLPCKEFUHDTF-HSZRJFAPSA-N 428.488 4.544 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccncc2)cc1Cl 170021650 CXKOMLTXZNRMRI-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc2ccccc12 170046491 DQZOYFJWBONENE-JOCHJYFZSA-N 434.923 4.633 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)c1 170061435 SRNHHBNMANFLRC-QHCPKHFHSA-N 445.446 4.954 30 10 IJEE N#Cc1ccc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCc4ccccc43)C2=O)cc1 170072631 OEZUFMAHQYXTKX-UHFFFAOYSA-N 425.875 4.559 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(O)c2)ccc1F 170082644 CRRGRZLXLJOASX-NRFANRHFSA-N 439.389 4.901 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1C1CCCCC1 170123756 IEPSOODRENDEOW-NRFANRHFSA-N 436.464 4.514 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccncc2)cc1C 170212565 HNTQRQHJZSMXJQ-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)cc1C 170275250 RUUGVAPHJQEYFH-XMMPIXPASA-N 442.515 4.794 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)c1 170275335 QMCCDULZVSECGM-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1 170287029 FIMMYFAKTQRPRT-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1sccc1C 170312429 UEXIHWSXMOAROR-GOSISDBHSA-N 425.531 4.905 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCC)c1 170323703 OMILPOPVZXRYNQ-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OCCO)c1 170324663 JQTIOFBQLREKHS-XMMPIXPASA-N 445.515 4.589 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cccc(Br)c2)nc2ccccc12 170536869 RVMLBMXOQSHQFO-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE COc1cc(C=NOCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)cc1 254838401 LSDGMVNKTSYDPM-DYESRHJHSA-N 444.959 4.973 30 10 IJEE C=CCCCCCCNC(=O)c1cc(I)ccc1Br 388996340 DICSLWBVKXJUFQ-UHFFFAOYSA-N 436.131 4.920 30 10 IJEE C=CCn1c(SCC(=O)N(CC(C)C)CC(F)(F)F)nnc1-c1ccccc1C 488925723 MCOGVUNMXXXBQJ-UHFFFAOYSA-N 426.508 4.579 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-c3ccccn3)nc2O)cc1 505648826 WVLIFHBMFCSRDA-UHFFFAOYSA-N 438.443 4.774 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511953563 GRMXRZSYKGUROB-ATIQYGATSA-N 426.948 4.569 30 10 IJEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC(C)=O 526606867 OSHDYAPEFURDLC-JOCHJYFZSA-N 446.484 4.611 30 10 IJEE Cc1ccc(SC2=C(N3C[C@@H](C)C[C@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526685179 NZPLFBLTWCAQEY-ROUUACIJSA-N 431.561 4.722 30 10 IJEE C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 539336248 FTWOLQIXXLPATQ-IRXDYDNUSA-N 433.581 4.752 30 10 IJEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 565742012 JHAWOKMSTMCYOJ-QVKFZJNVSA-N 430.487 4.507 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Br)c3)n2C[C@H]2CCCO2)CC1 568420031 RUQBCZCNWHCUEH-VQIMIIECSA-N 447.377 4.516 30 10 IJEE C=CCN(Cc1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586132757 OSUYIVRTIHAYRO-UHFFFAOYSA-N 428.337 4.547 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](c2cc(B3OC(C)(C)C(C)(C)O3)cc(C(C)(C)C)n2)C1 607717955 IUGVRUCYHUAOIH-KRWDZBQOSA-N 444.425 4.793 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1C#N 687739788 HZIPLXZHFYOCPM-AREMUKBSSA-N 444.462 4.926 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)c1 728181649 UQGHTZZVEKPVGT-DEOSSOPVSA-N 432.545 4.539 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(CCc2cccs2)C(=S)N[C@H]1c1cscn1 731429341 FIDRUOWHSOHMJP-FQEVSTJZSA-N 439.631 4.987 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Sc3nncs3)cc2)CCCN1C(=O)OC(C)(C)C 790376931 UZTWXYSWECNYRM-NRFANRHFSA-N 446.598 4.974 30 10 IJEE C=CC[C@]1(C(=O)OCc2nnc(-c3ccccc3Cl)o2)CCCN1C(=O)OC(C)(C)C 791818669 DFSROPURMLBRGM-JOCHJYFZSA-N 447.919 4.779 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1ccc(C(F)F)cc1 794779356 HLKPFBGGCDFZDH-INIZCTEOSA-N 437.309 4.906 30 10 IJEE COCc1nc(C(=O)OCc2cc(Cl)ccc2OCC#N)c(-c2ccccc2)s1 799595782 VKTUTZAFOWIFCT-UHFFFAOYSA-N 428.897 4.869 30 10 IJEE C#C[C@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccc(Cl)cc1F 804420710 MRNYPSDYVRCKAP-IBGZPJMESA-N 435.326 4.899 30 10 IJEE O=C(CCSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1nc2ccccc2s1 1084352357 VKXYMMDYWNOYBF-HKGULWOWSA-N 449.565 4.646 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1cc(Cl)cc(Cl)c1 1084375900 NQTNKESPGBAMPQ-FWZCDTJJSA-N 447.351 4.953 30 10 IJEE Cc1cc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)nn1-c1cccc(C#N)c1 1127286100 FLACWPPGDYCZLO-CVEARBPZSA-N 426.442 4.993 30 10 IJEE Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1132098032 DJHWVSVPOWHYOO-UHFFFAOYSA-N 430.577 4.612 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnn(Cc2ccccc2)c1Br)c1ccccc1 1134659177 SOVMOVNWLIWXEC-MHZLTWQESA-N 444.354 4.547 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1OC 1138036431 JLGMWHZCOPPSLH-UHFFFAOYSA-N 447.413 4.656 30 10 IJEE C=CC[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccncc1 1147007013 JZJSRDZCLTUOEG-VWLOTQADSA-N 441.531 4.744 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1 1154449852 HKCXJCOMEXOBHI-UHFFFAOYSA-N 431.941 4.568 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)CC(=O)c1cccc(Br)c1 1160821364 HJCVDHFJFLDJBU-CQSZACIVSA-N 428.330 4.990 30 10 IJEE CN(C[C@H]1CCCCN1c1cc(Br)c(C#N)cc1F)C(=O)OC(C)(C)C 1164015598 JVIGUGPZCQQPMA-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1OC 1182203968 OLIZHJLFJQMBGU-AEFFLSMTSA-N 438.996 4.896 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C 1204045617 QHYJGHQTFUOURD-KRWDZBQOSA-N 431.374 4.849 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c(C(F)(F)F)c1 1210301404 GNQZECPQDUDRIG-HXUWFJFHSA-N 444.478 4.882 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 1216983798 DUJOZTMOTLMFAY-UHFFFAOYSA-N 441.919 4.828 30 10 IJEE COc1ccc([C@@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)N2CCCC2)cc1 1218287689 BXHSAFJWFIUUFD-JOCHJYFZSA-N 436.556 4.703 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 1251244134 QRNLKRQYDMZFAM-RTWAWAEBSA-N 446.016 4.629 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1cccs1)N(C)C 1286440989 OYSMQEWXWRDOJM-GOSISDBHSA-N 431.968 4.562 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCc1csc(CC)n1 1286454541 JXJAGJUUSFQWNA-UHFFFAOYSA-N 425.577 4.616 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1286534724 CNUNEFHEQBITKX-DYVFJYSZSA-N 439.785 4.932 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286539982 HNOFOLAYBZRSTQ-CYBMUJFWSA-N 445.814 4.678 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCOCC 1286547750 QMDKXEXWKJLZSO-UHFFFAOYSA-N 445.814 4.605 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1286637495 GBYANQFIXKLTHY-IPJJNNNSSA-N 428.552 4.775 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1286639691 CZWGIVGMSQJPQF-NQIIRXRSSA-N 425.533 4.605 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(SC)CCOCC2)CC1 1286648504 FGHYCMMXXNFVMA-UHFFFAOYSA-N 442.629 4.543 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nccs2)CC1 1286654756 JTQYKURZPIRZHQ-UHFFFAOYSA-N 448.365 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286674192 AIHZAHIYKJAONX-IFMALSPDSA-N 437.632 4.695 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)[C@@H](C)CC)C1CC1 1286738783 CZWATQDFYJQXIM-YSIASYRMSA-N 447.624 4.566 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CCC1=CCCCC1 1286740805 WZJXXIHYWWSIAR-UHFFFAOYSA-N 432.572 4.770 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CCCC(C)(C)C 1286741121 GCJYAOFWKSMJMS-UHFFFAOYSA-N 432.572 4.944 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NC(CC)CC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286751191 CEJPWHHUUQFICX-WBVHZDCISA-N 427.515 4.669 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@](C)(O)c2cccc(Cl)c2)o1 1289552564 HLHXXJYOKFNWIO-HSZRJFAPSA-N 439.947 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCC[C@@H]1C 1300282733 PWRQMEVNDSPTMB-UAVUOLJFSA-N 438.572 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(COC)cc1 1300283792 OYDJPMNYULBIPI-ZWKOTPCHSA-N 434.609 4.784 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C2CC2)CCC1 1300321118 LBECAIAGAHCVFZ-MRXNPFEDSA-N 443.389 4.658 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1300980824 WIYKJNGVUDMFPU-QHCPKHFHSA-N 448.615 4.910 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC2)CC1 1301139851 XPQBMWVSEHCREK-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1301152260 XIDPBRWMXFOYTI-HXUWFJFHSA-N 442.583 4.618 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc2c(n1)CCCC2 1301273934 YRIFGIXHEPLVPY-HXUWFJFHSA-N 431.584 4.979 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nc(C(C)C)cs1 1301405561 SUPSFQGNZMHNHJ-HXUWFJFHSA-N 437.569 4.597 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccnc(OCC2CC2)c1 1310862856 YIHMXRGMVPGKSG-UHFFFAOYSA-N 432.318 4.519 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Br)c(Cl)c1 1349068247 RTFRZAPQPNJWNJ-UHFFFAOYSA-N 439.689 4.845 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(OCC)nc1)c1ccc2c(c1)OCO2 1349398282 LTUQAOJRMSEPSL-UHFFFAOYSA-N 432.476 4.621 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCCN1C(=O)OC(C)(C)C 1349850649 YLTHATCPAUKFKO-RUZDIDTESA-N 447.539 4.705 30 10 IJEE C#CCN(C(=O)c1sc(CCC)nc1C)[C@H]1CCOc2ccc(Br)cc21 1353633193 BZAMQNXANVZFBS-INIZCTEOSA-N 433.371 4.766 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1358378289 VJZSRYJSUKRHOX-HXUWFJFHSA-N 435.326 4.952 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(C)C 1358911866 DXUMYSUODAIWMN-FQEVSTJZSA-N 431.625 4.678 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1sccc1Br 1359004079 IOZVJWFAMZCEDD-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@H](C(C)C)N(CC=C)CC=C 1359068410 ZGLPMJYVRSFRRS-SHQCIBLASA-N 431.628 4.944 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1359120618 MNWPTEXNXUVSHE-WOJBJXKFSA-N 448.615 4.534 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[C@@H]2C)CC1 1359169875 YLYLENCSAFOGBV-ZCNNSNEGSA-N 429.609 4.943 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1359180183 VPAMFROTIFZQNM-UHFFFAOYSA-N 448.590 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)C)C1 1359183353 JIEOSQUUXXVRKD-LJQANCHMSA-N 444.023 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H]3[C@@H](C2)C3(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359192281 AZGDPMNYKNOVCD-QGFMHUBQSA-N 443.636 4.743 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1359195368 LHQQPPCWDNDDHQ-VQTJNVASSA-N 437.613 4.797 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359202094 IUZXXNHKMNYMMJ-VQTJNVASSA-N 434.588 4.875 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1359202220 NCBIFNYEBCYZBO-RBUKOAKNSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1359214357 AQJVXLIKQFGGLJ-UFYCRDLUSA-N 447.624 4.616 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(CC)s1 1359240892 ZKXPMMGWIZVZKP-UHFFFAOYSA-N 445.633 4.687 30 10 IJEE C=CCN(c1nnc(CC(C)C)n1CCc1ccc(OC)c(Br)c1)C1CC1 1359251573 OZILFXCDQKLIFB-UHFFFAOYSA-N 433.394 4.645 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1359252826 HUABVGNUHIBJJC-RLWLMLJZSA-N 437.632 4.831 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCCc1ccnc(C(C)(C)C)n1 1359253981 APDLBQLHSOLSQY-UHFFFAOYSA-N 434.588 4.508 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1 1359276422 CBDPPPMQUZRALK-QFIPXVFZSA-N 433.581 4.931 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)c1ncc(C)s1 1359281035 MMAGOVNFVUSXQA-MRXNPFEDSA-N 436.585 4.634 30 10 IJEE C=CCn1c(N2CC[C@H](c3cccc(C)c3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290091 HGKKGZRJQMZSAD-PCCBWWKXSA-N 437.588 4.537 30 10 IJEE C#CCOc1cccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 1359925921 WBEQNOULJQYZPR-ZJSXRUAMSA-N 431.513 4.768 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 1360589528 JCNWEDWABPSKMF-UHFFFAOYSA-N 439.490 4.929 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)CCCN1C(=O)OC(C)(C)C 1360976339 VOOLEOBSDFZSTO-NRFANRHFSA-N 440.462 4.668 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H]1c1ccc(F)cc1 1434872684 FZSQQMSAWVFAFL-XUZZJYLKSA-N 429.451 4.648 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 1444346772 YZHKRJIREMEXBC-IBGZPJMESA-N 449.979 4.668 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)c3cccnc3Oc3ccc(Cl)cc3Cl)C2)cc1 1447473000 HETNABWTSVCBNY-UHFFFAOYSA-N 440.286 4.956 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(COc4ccccc4)cc3)CC2=O)cc1Cl 1458394247 FPMISXQLRKLHLB-LJQANCHMSA-N 445.906 4.782 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2COc3c(cccc3OC)C2)cc1OCC 1461147286 PXOSLCSJFCQLIC-QGZVFWFLSA-N 448.357 4.515 30 10 IJEE Cc1c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)sc2ccc(C#N)cc12 1464011928 BLWUWIVZUXELHA-KRWDZBQOSA-N 430.526 4.801 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](O)c3c(Cl)cccc3Cl)cc2)nc1 1465431410 HNMVSQYSDNEXOQ-GOSISDBHSA-N 443.290 4.907 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 1467295366 JJZDCNKEPUMGOQ-UHFFFAOYSA-N 447.539 4.965 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc1OC 1470459120 ZUFDZQAIKREKAQ-UHFFFAOYSA-N 439.556 4.786 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)c1ccccc1 1472274874 CZTRNDGWDGWBCI-KEEVHDRGSA-N 428.554 4.801 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCc3c(cccc3OC)C2)cc1 1476041374 DBJWQCJTGPCZFI-QFIPXVFZSA-N 433.552 4.579 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1478897210 UINGDDUMXBZSSV-HXUWFJFHSA-N 433.980 4.693 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1507560940 PETIIDCVHSSNKX-DHIUTWEWSA-N 434.632 4.543 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@H](CC)C1 1507592922 GYIGAASMHIFQPX-HXUWFJFHSA-N 447.048 4.997 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1507619322 IMTNISGIWDEKOO-UHFFFAOYSA-N 432.037 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](C(CC)CC)N(C)C 1507766640 WGZCAYZHRADVPF-ZJSXRUAMSA-N 428.024 4.957 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCCC2)C1 1507778561 RONSYLPWTIWYAW-UHFFFAOYSA-N 432.322 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507799012 QAOXAXBNKBNOEV-YYWHXJBOSA-N 448.970 4.930 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CC)C[C@@H]1CCCO1 1507802929 DWFSYHFUCKMRGO-NWSQWKLXSA-N 445.007 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1507806060 OBENYNDMBGIRLB-LZNRXBQRSA-N 439.560 4.850 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(F)F 1507811002 ZLOADRVWJAIVIG-XMSQKQJNSA-N 434.531 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC[C@@H](C)C1 1507818815 YNBJPJQZRQVWPL-MOPGFXCFSA-N 434.588 4.514 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)S[C@H](C)C1 1507843711 RKCPRSWGTAGTBB-QZTJIDSGSA-N 439.585 4.523 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCCCCOC)CC1 1507899342 CBYZHKAIPXNMFL-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCOC(F)(F)F)CC1 1507909195 VFMRKRQXPYAFBJ-UHFFFAOYSA-N 438.494 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1507923078 MOTQAESMFJTOMU-QHCPKHFHSA-N 431.584 4.914 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CCCN1C(=O)OC(C)(C)C 1521771892 NSUPDYDSNBKAKL-UQBPGWFLSA-N 428.573 4.577 30 10 IJEE C#CCN(C(=O)c1cc(C)cc(OC)c1C)[C@H]1CCOc2ccc(Br)cc21 1521819618 SUEBNRXLHUXCGF-IBGZPJMESA-N 428.326 4.674 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 1521914194 CBABSJMSKQXXHG-IBGZPJMESA-N 437.565 4.839 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1523231330 JOPJPIZTWCXJCX-QGZVFWFLSA-N 425.229 4.991 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 1523673277 GNLLGALVCKNQHB-UHFFFAOYSA-N 431.402 4.770 30 10 IJEE C#CCN(C(=O)CCOc1cccc(C)c1C)[C@H]1CCOc2ccc(Br)cc21 1531554861 YKJLZOFIIWOSCD-FQEVSTJZSA-N 442.353 4.820 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 1533789779 GKMPNYNIBJRYDF-NRFANRHFSA-N 435.524 4.721 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3sc(-c4ccc(C)cc4)nc3C)cc2C1=O 1538351277 TUAQCKLUZCWQMT-OAHLLOKOSA-N 445.544 4.700 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCSC1(C)C 1538984727 OTKXQMXCMPTVOW-OLZOCXBDSA-N 439.448 4.759 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CC[C@H](C)C1 1539399772 SJSKZJBIJDPTDP-OALUTQOASA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OC(C)(C)C)nc1 1539539960 APBVCZBTZJZNRU-AREMUKBSSA-N 445.567 4.566 30 10 IJEE N#Cc1cc(NC(=O)CCOc2ccc(Cl)cc2Br)nc2ccccc12 1539551137 AYKNXVPQJFVKTN-UHFFFAOYSA-N 430.689 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1539556282 ODONAORSUHIAHL-HSZRJFAPSA-N 429.609 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1539622851 YFQIYIWHSNIXLV-UZLBHIALSA-N 449.382 4.834 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1539811573 GRYZGDZSMJOLJX-UHFFFAOYSA-N 429.933 4.760 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCN(C(C)C)C(C)C)CC1 1539898467 UEBOJIBBZHPVBB-UHFFFAOYSA-N 425.621 4.687 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1csc(CC)n1 1539981964 PIAPUIUVFVSXJR-UHFFFAOYSA-N 433.585 4.957 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)S[C@@H](C)C1 1540007055 XVKXOSIEWJZVAC-ROUUACIJSA-N 449.665 4.689 30 10 IJEE C=CCCCn1c(N2CCC(c3ccsc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540021843 VZLWTVVQPKMDLN-HSZRJFAPSA-N 430.618 4.730 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC1(OC)CCCCC1 1540180812 VUDRCWZMAXNXFT-UHFFFAOYSA-N 433.600 4.868 30 10 IJEE C#CCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Cl)c1 1540288098 YORCVKQVVCMCPJ-XMMPIXPASA-N 444.918 4.669 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCC=CO2)C1 1540884385 OMQHJAXCPSZZCS-DZFGPLHGSA-N 444.963 4.546 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C/C=C\CC)C1 1540896166 HVHNKHUHTAWDQR-OSJSJHBBSA-N 437.371 4.911 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1540919941 JDINFDYIGGJIHG-PMACEKPBSA-N 449.020 4.578 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cccc(Br)c1 1542501011 CKFRHFNUFDBSDM-MAUKXSAKSA-N 439.394 4.746 30 10 IJEE Cc1ccc(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)cc1NC(=O)c1ccccc1F 1545065768 HUNWWWZWSSPGCG-UHFFFAOYSA-N 430.483 4.885 30 10 IJEE COC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)C[C@@H](C)C#N)CCCC1 1554722257 BEYAXWVYEAEPAL-FQEVSTJZSA-N 439.604 4.844 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccnc(Cl)n4)cc3)n[nH]2)c1C 1557065380 ISHVTFOBEFXSNV-UHFFFAOYSA-N 449.902 4.564 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(C)cc1Br 1557541539 KFEJSKLQKCJLGF-AWEZNQCLSA-N 431.396 4.685 30 10 IJEE C=CCc1cc(CNC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc(OC)c1O 1560624815 AVIQJCYNRXATKE-IBGZPJMESA-N 449.391 4.688 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1568505483 UMPOJWKNWMZFHS-HOCLYGCPSA-N 442.478 4.788 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)cc(Br)c1F)c1ccc(Br)cc1 1583566037 PVQSFZXGEODDCP-HNNXBMFYSA-N 425.095 4.763 30 10 IJEE C#CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(=O)OC)C1 1587711818 HAASKMAASCDVAE-HNNXBMFYSA-N 442.972 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(OC)C1CC1 1589171765 RPDFYIOPCXBLHS-FGZHOGPDSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1589421299 HUKJRVGIZWHJIV-DNVCBOLYSA-N 433.394 4.981 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(C)=C(Br)C1 1589559937 VNYYIAQNULGMMQ-WIYYLYMNSA-N 449.437 4.871 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CC=C(C(F)(F)F)CC1 1593721978 IMTLHVICXWFWPQ-UHFFFAOYSA-N 443.473 4.785 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCC=CO2)CC1 1594218849 VPKZCAPQAPQTRD-OAQYLSRUSA-N 438.572 4.836 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1594492128 TUGXXDQMRYZUSB-UHFFFAOYSA-N 427.637 4.767 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1nc(C)c(C)s1)C1CC1 1595064820 BVAUZZWMYGPVGN-UHFFFAOYSA-N 437.613 4.945 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1(CC)CCOCC1 1595075779 KQRTUESBPXEZHU-UHFFFAOYSA-N 447.583 4.748 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1Cc1ccc(OCC(F)(F)F)nc1 1595114913 AQKDOOGJMDCVDN-UHFFFAOYSA-N 443.473 4.733 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(NC(C)=O)nc1 1595190412 BRDYPPODORWVET-UHFFFAOYSA-N 444.583 4.823 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@H]2CCCCO2)C1 1595681823 VBUMRGOIDYBEAX-RTWAWAEBSA-N 430.980 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2CC(OCC)C2)C1 1595701288 ZRSKBZRKEWTYTQ-AVAKVYKDSA-N 448.970 4.724 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1595901355 VBSSFPWFGSOZDT-IBGZPJMESA-N 437.613 4.664 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Cl)cc1SCCC(=O)OC 1596496739 ODRPOMFMEAIUBO-UHFFFAOYSA-N 435.929 4.821 30 10 IJEE C=C(C)C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)OCC 1596596753 UPEOWKXNSYUHSP-INIZCTEOSA-N 425.312 4.595 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(Br)c1O 1611099109 QCYOMPMBZUMABP-UHFFFAOYSA-N 443.110 4.885 30 10 IJEE CCOc1ccc(-n2c(Sc3cc(C#N)nc(C)n3)nnc2-c2ccc(C)cc2)cc1 1611762598 HOAQJWMFOHORLR-UHFFFAOYSA-N 428.521 4.763 30 10 IJEE CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CNC1(c2cccc(C#N)c2)CC1 1617867475 DSAIWIKMEZQPSO-UHFFFAOYSA-N 445.544 4.681 30 10 IJEE C#Cc1ccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)c(Cl)c1 1618186162 IWULHGZPFKYBFW-ZHZULCJRSA-N 431.908 4.673 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2c(Br)cc(OC)cc2OC)cc1 1620962161 RJELGRSGBFOHMF-UHFFFAOYSA-N 445.357 4.893 30 10 IJEE C=CCOc1ccc(CNC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cc1 1623715513 ADRDUDFIUXXOEU-UHFFFAOYSA-N 447.482 4.864 30 10 IJEE C=CC1(CC(=O)Nc2nc3ccc(N(CC)CC)cc3s2)CN(C(=O)OC(C)(C)C)C1 1625761269 HKDPOTASOOVJNY-UHFFFAOYSA-N 444.601 4.894 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)CC2)c1 1626114329 BYKQLTIRZFUVQP-GOSISDBHSA-N 447.000 4.984 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)c1nc2ccc(Br)cn2c1F 1628775095 AMUFZPOIWPAHBE-NSHDSACASA-N 433.306 4.740 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1630635974 DSWSIRGXDJIYRD-DEOSSOPVSA-N 438.886 4.986 30 10 IJEE C#Cc1ccc(C(=O)Nc2cc(Br)cc(I)c2C)cc1 1634866771 KEIBNIBIRHLJMB-UHFFFAOYSA-N 440.078 4.596 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1635801976 KAIJGJFZHYKBPF-RUZDIDTESA-N 428.532 4.858 30 10 IJEE CC#CCN(C)C(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1636787241 XIUIHKVGWGUCTF-UHFFFAOYSA-N 448.588 4.524 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)c(Br)c(C)c3)n[nH]2)c1C 1640166347 RAROIZSVHMNNAA-UHFFFAOYSA-N 428.334 4.708 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@H]1CN(Cc2ccccc2)CCCO1 1641675800 UDDONHHJDUUKJJ-JOCHJYFZSA-N 447.392 4.867 30 10 IJEE C=CCN(Cc1noc(-c2c(F)cccc2Cl)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1642726673 WDOBZPZASMXLAJ-IBGZPJMESA-N 443.906 4.692 30 10 IJEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1 1645693178 QOHNCHKGUXAGGY-VWNXMTODSA-N 444.579 4.708 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(OC)ccc2ccccc12 1651557804 CPXBLGSROWCPHG-IBGZPJMESA-N 432.948 4.543 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)cc1 1658516332 KBCIEXDRUILYJH-LJQANCHMSA-N 427.932 4.806 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cc(F)c(I)c(F)c1 1658896521 DUNOIKSPWUFSRD-UHFFFAOYSA-N 442.247 4.832 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(Cl)cc(Br)c2OC)cc1 1659018189 SHMBBGUKSFZMNO-UHFFFAOYSA-N 425.710 4.998 30 10 IJEE CC(C)(C)[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1661800887 HSMMLFITWMBNBP-TZMCWYRMSA-N 431.371 4.591 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)Cc1cccc(Cl)c1Br 1662873961 KAKRGMVUBHADEV-UHFFFAOYSA-N 444.778 4.942 30 10 IJEE Cc1cccc(S(=O)(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1C#N 1663101494 AYFYVSFKUMSYRX-GOSISDBHSA-N 428.863 4.969 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1 1666887812 PEPAJAUDHRJHGH-XMMPIXPASA-N 431.561 4.760 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 1667955768 DEGYOWQFJVYBPK-YLJYHZDGSA-N 447.988 4.604 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1668171318 AAWQSUFTFLMCER-INIZCTEOSA-N 428.432 4.908 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)c1ccc(Cl)cc1F 1669152159 CSXNMUZLHFHMQD-NRFANRHFSA-N 447.890 4.850 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1669545578 VMTSTLIBOXOLSH-INIZCTEOSA-N 436.314 4.935 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1Cl 1671642083 DHSJRXATUFGDDJ-UHFFFAOYSA-N 444.922 4.665 30 10 IJEE C=C(CNC(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1)c1ccccc1 1673395476 MUFOQLBZKUSZAR-HNACLESGSA-N 435.568 4.624 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(Cl)cc1 1677274114 IGTWBBPMXAYWCT-FOIQADDNSA-N 446.776 4.603 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1F 1681044416 QNENLMIQQZKROM-HXUWFJFHSA-N 444.293 4.839 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCC(C(F)(F)F)CC1 1689841392 FRTNSKZQRQGVMR-KLHKWILBSA-N 448.489 4.543 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1689900373 FYDSAGONPGEILS-AHWVRZQESA-N 447.671 4.958 30 10 IJEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(c2ncc(C)s2)CC1 1689939700 ABDKPLYRYGYOJQ-UHFFFAOYSA-N 439.560 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCCn1ccnc1C 1690260211 CGNRXODUBLYFNO-UHFFFAOYSA-N 429.572 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C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1760446545 UZCDYAXDUYLANC-HNNXBMFYSA-N 439.387 4.848 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1760476131 HMWHTJWYTDPPSD-HXUWFJFHSA-N 443.636 4.813 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnn(C)c1 1760487676 BBOTWDPKONZPTH-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1c(C)noc1C 1760494837 WRTFWWPHVDZBTA-UHFFFAOYSA-N 430.512 4.626 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1760512651 XNPVRMFLFBGPES-UHFFFAOYSA-N 437.975 4.952 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCc1cccs1 1766156213 CXDBRSCURPYVCD-QFIPXVFZSA-N 448.640 4.822 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)CC1 1771538069 CZERTTFNVHQMED-FQEVSTJZSA-N 446.020 4.926 30 10 IJEE COC(=O)c1ccc(/C=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 1772739286 SQPMNDSEIMUJPH-YOTBKHOGSA-N 442.566 4.570 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(C)cc1 1861095497 NANYYYRHWZXPOU-DYHBGCKMSA-N 436.596 4.918 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862417400 QWQCMFNSGLRRNA-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)cc1 1862442661 UBCRVHJYZJUCJQ-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862445921 HHRKMILUTBMAPE-LJQANCHMSA-N 442.302 4.538 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(Cl)c2)c1 1862490797 DPTPCLKHAADUFB-OAQYLSRUSA-N 427.928 4.960 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(CC)cc2)cc1 1862529544 HOOODEWIMOTUGE-DEOSSOPVSA-N 426.516 4.985 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)cc1 1862548397 RFHZBSPFSXZKKM-XMMPIXPASA-N 449.547 4.579 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1F 1862638739 JBMSMUCFKJDLCK-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCN2CCCC2)c1 1862674870 WJGRNKWPJUPOMG-HSZRJFAPSA-N 436.527 4.588 30 10 IJEE COc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961899 NHUHYQDRPIXCKV-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C)[C@H](c3ccccc3)C2)nc(-c2ccccc2)n1 1869208096 IGDONJVFEDAANW-DEOSSOPVSA-N 425.580 4.815 30 10 IJEE N#Cc1nnn(Cc2c(F)cccc2Cl)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870105153 CPNXXUGVDPNCNK-UHFFFAOYSA-N 431.858 4.910 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)cc1 1870901398 HQKBITAPYRVBFN-UHFFFAOYSA-N 432.520 4.502 30 10 IJEE C#CCOc1cn(Cc2ccncc2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871006916 BLVHVCGMAUAUDW-UHFFFAOYSA-N 435.527 4.507 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1cccc(Cl)c1 1871160000 XAQHBLCDCMUKQY-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1cc(C)cc(C)c1 1871172535 RIUUXLSOURQOOI-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871364379 AKMLFIWVKCYBDL-UUYOSTAYSA-N 431.419 4.928 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)c(OC)c1 1871387056 WUALEISSGSVYPP-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871457058 MZRRZSZXJAYLSQ-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872024382 TVONGUFYCGVKHT-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872225716 WEBVHJCZVGIPFM-IBGZPJMESA-N 441.380 4.833 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872572910 WBADREUHUVNZDJ-UTKZUKDTSA-N 434.627 4.985 30 10 IJEE CCCCCCCSc1nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2[nH]1 1872821869 YHCRUBKSQHBVEZ-UHFFFAOYSA-N 437.613 4.983 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1ccc(Cl)c(Cl)c1 1873675484 ABMNFENFPWUAFI-UHFFFAOYSA-N 444.343 4.772 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1cc2cc(OC)ccc2n1C 1873935764 YOSKSKVGAHQXAY-NRFANRHFSA-N 429.605 4.952 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874258003 YXTQKZPALKBVAI-BUVRLJJBSA-N 438.553 4.575 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccccc1C(=O)O 1874303787 RIQLYLDSCWBYEM-ZVHZXABRSA-N 436.537 4.516 30 10 IJEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874436685 MVKKXWUDHOVKLJ-YDZHTSKRSA-N 439.541 4.963 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccco2)c(C)c1 1874440966 BRBJLLCQKYGELU-YDZHTSKRSA-N 425.558 4.690 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2sccc2C)c1 1874483817 OYDHIYRYGDZIIP-WSDLNYQXSA-N 427.599 4.867 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C(C)C)cc1OC 1874515540 DLQHXPZSBWSXFB-XQNSMLJCSA-N 434.606 4.726 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2Cc2ccccc2)c1OCc1ccc(F)cc1 1874558957 KKGDIPMJRCKWFD-CVKSISIWSA-N 448.523 4.767 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OCCO 1874603753 DAUNWTFFSINXGS-RMKNXTFCSA-N 431.326 4.604 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)c(OC)c2)CSc2nnc(C)n21 1874822233 BERZNWZFPDSPAQ-GOSISDBHSA-N 432.590 4.666 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccccc3OC(F)(F)F)ccc21 1890724925 VSEBBVYOEKVKJH-UHFFFAOYSA-N 448.441 4.704 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(N(C)C(=O)OC(C)(C)C)CC(OC)C1 1922066985 YDNHEACAMMCVLZ-YGWFNULRSA-N 432.605 4.542 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 1981306958 VDCDAGNGGHPHKQ-FGZHOGPDSA-N 430.614 4.935 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(CC#N)C1 1985178863 MDSHXQQCNGCYNL-NJZGTNIQSA-N 445.563 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)c1cccc(OCCNC(=O)OC(C)(C)C)c1 2012028750 YJFNNFKQJJYFFM-HSZRJFAPSA-N 426.557 4.624 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1Br 2080228403 MDBTUTTUCRADMA-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441442 CWEBBWAAMMISFZ-GXTWGEPZSA-N 426.330 4.955 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2118193541 BKZVMTHYIJJVHN-ZIAGYGMSSA-N 426.330 4.589 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2cc(Br)cc(F)c2C#N)CC1 2118196506 INQJLHVAVUVCGA-LBPRGKRZSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1Cc2sc(=Nc3ccc(C#N)c(Br)c3)[nH]c2C1(C)C 2162325458 XCLJSPLQFWTKEU-UHFFFAOYSA-N 449.374 4.929 30 10 IJEE CCN[C@H](C#CC(C)(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2213316602 VBBDHUPUYDWFFU-JOCHJYFZSA-N 427.633 4.574 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC1=CCN(C(=O)OC(C)(C)C)CC1 2235725723 DSNVQAWRGOXQHM-LJQANCHMSA-N 433.390 4.736 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]2(O)C#Cc1ccccc1Br 2235740442 OQVJGWJMYZXMMZ-JOCHJYFZSA-N 428.326 4.982 30 10 IJEE CCc1ccc(C#CC(=O)c2cc(I)ccc2Br)cc1 2239721782 JQOUYLYJBANDAK-UHFFFAOYSA-N 439.090 4.851 30 10 IJEE Cc1cnc(Oc2cc(Br)cc(F)c2F)c(B2OC(C)(C)C(C)(C)O2)c1 2241085316 ATHOUTTVAWGFPU-UHFFFAOYSA-N 426.066 4.522 30 10 IJEE Cc1cnc(NCC2(N(C)Cc3ccccc3)CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2241105885 SEMXHRDKKXNNKT-UHFFFAOYSA-N 449.448 4.936 30 10 IJEE N[C@@H](C#Cc1ccccc1Cl)c1ccc(Br)cc1I 2277836736 CYUSATZDEFUUJX-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CC1(C)OB(c2cc(NCCc3ccc(OCc4ccccc4)cc3)ccc2N)OC1(C)C 2283011752 JNVGVVWCDUEDMJ-UHFFFAOYSA-N 444.384 4.802 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)CC1CC1 2296218646 GITABNKNROJYIM-QUCCMNQESA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](C(=O)C#Cc3ccc(Br)cc3)C[C@H]21 2296268828 IZZWZAGDASOOBP-YQVWRLOYSA-N 432.358 4.795 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCN1C(=O)OC(C)(C)C 2296309436 VTTAXWPNKBUVSK-UXHICEINSA-N 435.406 4.958 30 10 IJEE CSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 2296311791 AESCCMOHEQYODF-MRXNPFEDSA-N 441.534 4.603 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)c3ccco3)ccc2C1=O 2296867590 ZACQNBABBIZZSN-UHFFFAOYSA-N 441.233 4.886 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CC(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317352780 BAILMGLZLDEFSG-VAWYXSNFSA-N 430.354 4.551 30 10 IJEE CCCOc1ccccc1C=CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)n1 2321121803 NQKAGLXQFVTQMU-UHFFFAOYSA-N 426.476 4.646 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C 2321299709 BGJCGDWFJVGIER-NTPMPWFXSA-N 446.632 4.524 30 10 IJEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(OC)cc1 2322098978 GKPMYBJIFRXDIB-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE CCCCC1CCC(c2nnc(S)n2N=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)CC1 2322106808 XBCJIDVSLJOTQS-UHFFFAOYSA-N 433.534 4.535 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1Br 2323630995 KZHOMSFYMCYUGG-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCC 2323665603 SKINLPOXOYBNFS-UHFFFAOYSA-N 446.341 4.649 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1cccc(OC(F)(F)F)c1 2325610339 JEHPJMULFAJVKG-UHFFFAOYSA-N 432.167 4.708 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2325715230 RZJADMVEGPXKAY-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1cccc(F)c1 2325893809 PBQKHZFYFBSMSY-UHFFFAOYSA-N 442.560 4.994 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2325974712 QKBPFNQYQVZPIO-UHFFFAOYSA-N 437.352 4.906 30 10 IJEE Cc1ccccc1CCc1nnc(SCCO)n1N=Cc1ccc(Cl)cc1Cl 2329523800 UBAFRGYRGNDCOO-UHFFFAOYSA-N 435.380 4.645 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)OC)cc1 2330276050 GDVAVZJVBQWLIK-UHFFFAOYSA-N 444.601 4.727 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccco2)cc1 2330359201 YNYGESGKBUOOLG-UHFFFAOYSA-N 425.495 4.606 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)cc1OC 2330889449 UHVXRNCDPULPNR-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)c1 2331382592 KIRAWWYCNRWKRO-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331471208 VZLDZOQYRYXNCT-QFIPXVFZSA-N 432.472 4.838 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)c1 2331510310 UEBGLIUYLKUGQX-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C(C)C)c1 2331673817 KVXHUMWZQJTBLA-UHFFFAOYSA-N 441.532 4.552 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339542687 FZSFHJJACQPINF-JWVZTPSPSA-N 433.405 4.906 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339580922 HDWUNHLQCHNZFA-JKIKYLSZSA-N 444.381 4.895 30 10 IJEE CCCC1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339591244 ZBQVHIYGWZIAAU-UHFFFAOYSA-N 444.381 4.895 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 2358671265 GRQQLIUIUHFDSE-LZNRXBQRSA-N 433.390 4.568 30 10 IJEE CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364741564 OHACJEXSFYQMPV-XMMPIXPASA-N 445.416 4.570 30 10 IJEE CC1(C)OB(/C=C/c2ccc(=NCCc3sccc3Br)[nH]c2)OC1(C)C 2365062242 HIDXNNHFFPAZFX-JXMROGBWSA-N 435.196 4.627 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc(OC)cc3)c(OC)c1)C2=O 8823776 GCOFQSUXBOOCKD-OYKKKHCWSA-N 446.455 4.938 30 10 IJEE COc1cc(OC)cc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 17724733 DSGVPNDPCXMTBI-VXNXHJTFSA-N 441.531 4.720 30 10 IJEE biogenic CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(C#N)c1C 33285787 QZARHTJFLIUTHN-NTMALXAHSA-N 428.510 4.553 30 10 IJEE O=C1/C(=C\c2ccccc2Br)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 37857865 PEQHHEKYWBRRBK-SRZZPIQSSA-N 449.304 4.812 30 10 IJEE O=C1c2ccccc2C(=O)N1/N=C/c1ccccc1OCc1cccc(Br)c1 59916095 WZFRZSHMORDKIM-ZMOGYAJESA-N 435.277 4.658 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Oc2nc3ccccc3n2Cc2ccc(C#N)cc2)CC1 95083576 BJWYQTPIPQBQSK-UHFFFAOYSA-N 432.524 4.735 30 10 IJEE CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1Br 169937954 WOKYVVXHIURYIK-SFHVURJKSA-N 431.355 4.524 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cccc(C)c1 169941970 RAOGQBBQMUFSCE-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccncc1 170022190 WPOSCZVPWDBSGE-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OCC(C)C)c1 170040251 OMAXMLHJPCGOCQ-QHCPKHFHSA-N 449.503 4.692 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(F)cc2)cc1 170061836 GAKDMQLVVSEHQJ-HSZRJFAPSA-N 445.446 4.900 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 170129267 PPVLWWPLCPMUOU-QHCPKHFHSA-N 436.552 4.776 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(O)cc1 170137277 ZZMLASKCVUADKX-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(C)c2)c1 170143144 FRCGQHANNGWIIK-GMAHTHKFSA-N 435.520 4.541 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)cc1 170169875 HDTCLAWPYYWLAH-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccn2)cc1C 170172178 UWWKWNBEYMXTHD-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)c1 170172309 PNLRKTMJKBKSLW-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(OCC)c1 170218462 PIHRGUADVNSUJO-QFIPXVFZSA-N 437.492 4.583 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1 170236609 ACNVKJHBBIUBFV-NRFANRHFSA-N 441.911 4.880 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)ccc1Cl 170241025 GSFUZMUCZNPPGS-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)C)cc1 170244419 GBMFJDCYNUAHTB-XMMPIXPASA-N 433.548 4.914 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccccc3F)ccc2O1 170249229 RKEIOEYULSDBNI-WNSKOXEYSA-N 429.447 4.932 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)c1 170259109 BBLOUCASFHIPMA-QHCPKHFHSA-N 429.472 4.962 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170266153 FFRVLMJEFZBSCD-GBXCKJPGSA-N 449.547 4.632 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)cc1OC 170289339 YIJMSXJLGGARPD-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccs2)o1 170298186 YMCYTKYUIUHJLL-SZNDQCEHSA-N 435.501 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12)c1ccncc1 170423349 MTPQDJLAHUMSSN-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE CC(=NOCc1nc2ccccc2c(=O)n1N=Cc1ccc(Cl)cc1)c1ccccc1 254294192 HWQAPESPHLNXFR-UHFFFAOYSA-N 430.895 4.873 30 10 IJEE O=C(CSc1cccc(N=Cc2cccnc2Cl)c1)Nc1ccc2c(c1)OCO2 254391971 HQQFYSFDGRRBOA-UHFFFAOYSA-N 425.897 4.945 30 10 IJEE Cc1ccc(NC(=O)c2c(N)n(N=Cc3cccs3)c3nc4ccccc4nc23)cc1C 254583431 PTLWMUFTYPEKDJ-UHFFFAOYSA-N 440.532 4.980 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](COc2c(C)cccc2C)c2ccccc2)cc1C#N 435461787 DRMMKELJFDMGIZ-FQEVSTJZSA-N 433.533 4.548 30 10 IJEE N#CC1CCC(CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1 441142642 CPXJIOMWZGQWFP-UHFFFAOYSA-N 440.341 4.761 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C 443808091 YLTOYRNWTCFWSB-UHFFFAOYSA-N 429.977 4.946 30 10 IJEE Cc1ccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(Br)c1 446023562 GBSZFQNFPOUVRP-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(Br)cc1 460563739 VITNNHZMOLBALT-VQIMIIECSA-N 449.393 4.682 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ncc(CC)s1 466332477 GPYDNZXBHXKOGM-UHFFFAOYSA-N 426.355 4.547 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(C(F)(F)F)c1 480105861 MLTMSVWCJPHFTH-QGZVFWFLSA-N 439.441 4.936 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC2(CCOCC2)c2ccccc21 483798674 MVEZCKLIRUBKCZ-KRWDZBQOSA-N 435.593 4.784 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccc(C3CC3)cc2)cc1F 484358447 SHKPSCUCXCSNIN-UHFFFAOYSA-N 429.451 4.622 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 504339013 PFSZLYMGZYNUBJ-UHFFFAOYSA-N 425.532 4.997 30 10 IJEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 505830392 CFEOIKKFFJPENQ-DEOSSOPVSA-N 446.595 4.629 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C2CCCCC2)C1 508936358 QZZITAZSQHXAOP-HXUWFJFHSA-N 428.602 4.551 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N[C@H](C)c4ccccc4)cc3)cc2C1=O 518863911 HQZMTTNWTZKYNR-QGZVFWFLSA-N 425.488 4.894 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 518994685 GWGYOKDTDSBELV-JXFKEZNVSA-N 439.585 4.721 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 519903284 QSOMFOKVMIRVEB-UHFFFAOYSA-N 432.471 4.603 30 10 IJEE COc1ccccc1[C@H]1C(c2cccc(OC)c2OC)=C(O)C(=O)N1c1cccc(C#N)c1 526520806 KLOWLSXAZHSUIZ-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(F)c2)=C(SCc2ccco2)C1=O 526669998 GBNKLPAPTNLPCJ-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(=O)OC)cc2)cc1 526827570 WRJVLNXFJWGCFW-IWIPYMOSSA-N 438.553 4.727 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N(C(=O)NC2CCCCC2)C2CCNCC2)c1 585824088 HIZUQFSFMJJGMH-UHFFFAOYSA-N 426.605 4.761 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)[C@@H]1C[C@H](NC(=O)CCCc2ccc(C)cc2)CCN1 585838436 GYXGYYYSDPNNRU-ULYWAXSHSA-N 448.607 4.626 30 10 IJEE C=CCN(Cc1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586179373 AGFVTYXOLLBSFL-UHFFFAOYSA-N 429.582 4.973 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(CCCC#N)c1ccc(Br)c(C)c1 586246650 WNYYMUOKXHAKIR-UHFFFAOYSA-N 437.359 4.574 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 610020049 NZURFUJGITYFDD-UHFFFAOYSA-N 425.485 4.681 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ncc(Br)s1)NCCC 713689721 OSZOTSDUWAYSKM-ZIAGYGMSSA-N 432.428 4.676 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCn2cnc3sc(C)c(C)c3c2=O)c1 728248670 UEPNKAMNLCFKKN-UHFFFAOYSA-N 441.556 4.680 30 10 IJEE N#CCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)c1 732487125 LTTHPHGYZYRHNR-VWLOTQADSA-N 435.483 4.586 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(F)cc1F)[C@@H]1CCOc2ccc(Br)cc21 733640302 RZCPBCMXTWNJBB-ORAYPTAESA-N 449.295 4.957 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 734547138 CPCKTTAWKSDIIP-QHCPKHFHSA-N 449.938 4.643 30 10 IJEE Cc1ccc(-n2cnnc2SCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 739589569 BOKKIXMQJQPXNY-UHFFFAOYSA-N 445.573 4.584 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 755259295 MQGUWVLRGRJIIS-JTQLQIEISA-N 445.349 4.744 30 10 IJEE C#CCN(C(=O)c1oc(CC(C)C)nc1C)[C@H]1CCOc2ccc(Br)cc21 789647929 UOPWIIWXILEUBC-KRWDZBQOSA-N 431.330 4.543 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C(F)(F)C1CCOCC1)c1ccc2c(c1)OCO2 790620329 DIOIKVKRXWWZGB-UHFFFAOYSA-N 445.462 4.575 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccc(Cl)cc1 811960531 BYEXLUNXLJHMEF-LJQANCHMSA-N 434.845 4.736 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1126062745 GKVUVKZBKKYUBD-NRFANRHFSA-N 429.630 4.533 30 10 IJEE CC[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccc(Br)cc1 1127248073 AEVQBTGPIUIKOU-SOAGJPPSSA-N 442.357 4.716 30 10 IJEE N#Cc1ccc(NC(=O)COc2ccccc2OCc2ccccc2)cc1Br 1128903721 CERQIHLRWIRHSJ-UHFFFAOYSA-N 437.293 4.917 30 10 IJEE Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1137136928 FZKDDDBARWBEFK-KDOFPFPSSA-N 427.570 4.847 30 10 IJEE C[C@H](c1ccccc1F)[C@@H](O)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1141718730 HVLXGOCWQOWMEQ-QLJPJBMISA-N 439.327 4.889 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)C1 1146475242 MNCMEDGVKGRMAX-MRXNPFEDSA-N 448.972 4.578 30 10 IJEE C=CC1(CC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CN(C(=O)OC(C)(C)C)C1 1163104824 OWVFSMGAABHUDV-ZWKOTPCHSA-N 438.572 4.519 30 10 IJEE C=CCn1c(SCC(=O)NCCO[C@@H]2CCCC[C@H]2C)nnc1-c1cccc(Cl)c1 1165888965 JABZYUADVVIITO-VQIMIIECSA-N 449.020 4.588 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OC)c2ccccc12 1170928872 UCOXUBZLKYTFPN-SFHVURJKSA-N 432.904 4.601 30 10 IJEE C#CCN(C(=O)Nc1ccc(I)cc1)[C@@H]1CCCc2ccccc21 1196370799 OVVJGIYMJRFCIE-LJQANCHMSA-N 430.289 4.836 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)[C@@H]1CCCO1 1203436811 WWUUXZXUDMTVOW-HOCLYGCPSA-N 434.949 4.584 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C(C)C 1211222811 PATDPFUWXPEMIP-JBACZVJFSA-N 434.422 4.693 30 10 IJEE CC[C@](C)(COc1ncccc1Cl)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1217007914 GOBJHWDYHHGQOF-GOSISDBHSA-N 442.825 4.874 30 10 IJEE C[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1(c2ccccc2)CCCC1 1226515367 FGKIOLYWSOJEPY-YUVSOPLDSA-N 432.568 4.843 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc(C#N)c(F)c1 1235201152 AOLMVFASTYQNBB-OAQYLSRUSA-N 438.503 4.921 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@]12CCCC[C@@H]1C2)[C@@H]1CCOc2ccc(Br)cc21 1254154057 IQCYTOPBMBJXDS-CASVQKDBSA-N 431.374 4.886 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCCC3)CC2)c(F)c1 1254221680 FZNVOTWAZIBHBG-XMMPIXPASA-N 438.522 4.990 30 10 IJEE Cc1c(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nn1C 1264095886 HUOGCEUKSYZWGW-NSHDSACASA-N 435.391 4.828 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3Oc3cc(F)cc(F)c3)cc2C1=O 1266021629 MSVHMTHLVLAUAD-UHFFFAOYSA-N 434.398 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(OC)c1 1286278998 INZUXZAHIOCBGV-GOSISDBHSA-N 434.609 4.985 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1CCC(OC)CC1 1286368944 WJHJXTQBYFIXLQ-UHFFFAOYSA-N 445.405 4.681 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1Cc1ccc2c(n1)CCCC2 1286458223 NJXDETKWCHVBLP-UHFFFAOYSA-N 431.559 4.578 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1286539600 ANVNURFRPAGANI-HNNXBMFYSA-N 430.325 4.509 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=CCC1 1286543509 UKQWPNPRSJQTNJ-UHFFFAOYSA-N 444.160 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C/c1ccccc1 1286582132 RPQOKVRJIJQRDM-XYOKQWHBSA-N 443.599 4.568 30 10 IJEE C=C(C)Cn1c(N(C)[C@@H](C)c2ccc(F)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286598591 SHMFJHGUBGJRMD-XKGZKEIXSA-N 443.567 4.961 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286705750 HINQBGXSGOHHHZ-SKPFHBQLSA-N 442.629 4.618 30 10 IJEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1cccs1 1286711240 JWWHAALYTKWBIW-FXAWDEMLSA-N 440.569 4.642 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cccnc1OC 1286714811 TVXXKGNBZLJKOT-KRWDZBQOSA-N 441.963 4.762 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(OCC)CCCC1)C1CC1 1286733850 KOUJDJDNLOICHT-UHFFFAOYSA-N 448.409 4.550 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)SC 1286749454 SMVYWOQYXKQBJC-OXJNMPFZSA-N 442.610 4.796 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1286769550 ABNCELXJXQYUHO-MOPGFXCFSA-N 445.558 4.823 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1cc(C2CC2)ccc1F 1287605301 HZXBYDJLVJVENU-UHFFFAOYSA-N 435.551 4.510 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1ccsc1 1300286216 GFLYIQMXDZKOOL-XCLFUZPHSA-N 435.380 4.679 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)CN1CCCCC1 1300606756 SUVDTKKBVDEYJW-VQTJNVASSA-N 439.673 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1300895065 LSDYHCCLTWZTBM-HZPDHXFCSA-N 436.482 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCCC1 1300899844 JSOFXSFEIYNAJJ-QFIPXVFZSA-N 425.621 4.923 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1cccc(COCC(F)(F)F)c1 1300907620 MKXMVGDDPNTOQL-UHFFFAOYSA-N 445.489 4.870 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN(C)C2CCCC2)CC1 1301106361 SREPMQCFXKCVPB-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301202479 KIKHCFVILYJOFJ-VKJFTORMSA-N 442.457 4.679 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(F)cn1 1301273749 WUSPOHKJSUIAJY-INIZCTEOSA-N 429.927 4.893 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C2CC2)cs1 1306577821 BQNIJSZJBFHAGA-INIZCTEOSA-N 436.585 4.736 30 10 IJEE C#CCN(Cc1ncccc1Br)[C@@H]1CCOc2ccc(Br)cc21 1307475867 JLYSAHBCTWIECU-QGZVFWFLSA-N 436.147 4.566 30 10 IJEE C=CCN(CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1307684755 PASDYCGGQRNFBZ-GOTSBHOMSA-N 444.616 4.686 30 10 IJEE COc1cc(CN2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)ccc1OCc1cccc(C#N)c1 1307790731 BHSRYVMIDDQYFW-WOJBJXKFSA-N 449.595 4.613 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)cc1 1311302356 BCZHULAYWYVGDJ-NRFANRHFSA-N 444.316 4.902 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCSC(F)(F)F 1358951575 CJJNTHMHJUGQSH-UHFFFAOYSA-N 446.926 4.574 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(OC)CCCC1 1358971256 NTJXNSLHYVFOME-UHFFFAOYSA-N 438.984 4.845 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCc1sc(C)nc1C 1358998874 WGDZJOLXTRZVKQ-UHFFFAOYSA-N 449.649 4.658 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC12CCC(CC1)C2 1359004971 QMHFTDIMWKVUNS-UHFFFAOYSA-N 443.389 4.756 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(C)CC1CC1 1359077622 HAMWVLTYRHVVSQ-HNNXBMFYSA-N 435.366 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1359109601 HUMSKYXTHDHKDK-NZQKXSOJSA-N 442.604 4.816 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCCOC2)CC1 1359167872 XPOZZPJLQLODKR-HXUWFJFHSA-N 445.007 4.835 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCOC2CCCCCC2)CC1 1359169003 QCDYPGQYCJKDEE-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2OCC[C@H]2C)CC1 1359175836 BMOOAAMCSZMQRU-AUUYWEPGSA-N 449.368 4.674 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NC)C1 1359199941 MVMACMJLPWOGHD-OAHLLOKOSA-N 436.387 4.571 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1359246515 DKGDMTUAASGNDF-VQTJNVASSA-N 441.595 4.832 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCC1(F)F 1359271858 FPFFOYRKFQSYRJ-FXAWDEMLSA-N 430.499 4.795 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCSC1 1359276168 UMCTYCSFXAFHAX-HXUWFJFHSA-N 439.654 4.622 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2sccc2C)C1 1359325626 JGZISQKVMXDWRL-QKNQBKEWSA-N 444.645 4.591 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 1444807731 ICIOVIHNJCOVEM-UHFFFAOYSA-N 432.442 4.940 30 10 IJEE C#CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@@H]1CCOc2ccc(Br)cc21 1456446124 JSNQARYCECUXGP-OAHLLOKOSA-N 440.124 4.750 30 10 IJEE C=CCn1c(SCc2ncccc2C(=O)OC)nc2scc(-c3ccccc3)c2c1=O 1458821562 XWIWRIYUECDUAF-UHFFFAOYSA-N 449.557 4.785 30 10 IJEE CC#CCN(C)[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 1460175004 YQHMYGUWXCWNQH-VGSWGCGISA-N 438.593 4.685 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC 1461204516 PSNOWLPGPCIAJM-FXAWDEMLSA-N 429.866 4.538 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 1462894181 ZNNYNHMIVRZBHZ-UHFFFAOYSA-N 427.545 4.588 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)cc1 1465340727 XFHBGSSJGRXGCZ-MAUKXSAKSA-N 442.357 4.775 30 10 IJEE CCCc1c(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cnn1-c1cc(C)ccn1 1466102376 CXNKBQOHTJSMAY-UHFFFAOYSA-N 428.540 4.811 30 10 IJEE C=CCC1(NC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)CCCCC1 1468078721 ASWWROHGFXGPBM-UHFFFAOYSA-N 430.589 4.918 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(C(F)(F)F)cc1 1469491003 IMKCMAOTGAGMKE-VQTJNVASSA-N 431.458 4.839 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCOc2cc(Br)ccc21 1473620787 AYXGOYMKTGTIIL-AWEZNQCLSA-N 446.370 4.538 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCN(c3cccc(F)c3)C2)cc1OC 1474001057 ZQWCWTQAPALWEG-SFHVURJKSA-N 449.364 4.920 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1CC(F)(F)C1 1495732959 FJHDTKYZUCLXJQ-HNNXBMFYSA-N 448.949 4.689 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCc1csc(C(C)(C)C)n1 1507645258 WLIMGCABPALSHF-UHFFFAOYSA-N 443.576 4.761 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(F)cc1)C1CC1 1507748123 IGXJFOTYSJSWRN-UHFFFAOYSA-N 441.963 4.668 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](CC(C)C)C1 1507752566 BQBVPPJNYFNVDY-NRFANRHFSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCN(CC)C1 1507763190 QUXKCPGRQBSQDZ-AJTFRIOCSA-N 449.643 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1507763490 WMVBUUFQTCXKID-NOMHHCBYSA-N 444.627 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCCN1CCC 1507769436 GUAMPZGPCXZNAH-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCCOc2ccccc2C)nnc1C(C)(C)C 1507808765 HTHMRYOAFZWPQG-IFMALSPDSA-N 426.605 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1507809423 VAEVKYJTFLPEKO-NBJYBMASSA-N 432.515 4.586 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2ccccc2C1 1507831592 AVJGNVISEQBAJA-UHFFFAOYSA-N 437.588 4.531 30 10 IJEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(C)o1)c1ccccc1 1507855298 RSFQOHUZHUINQZ-UNMCSNQZSA-N 436.556 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507877213 CPARLHGHXMEQRE-OAQYLSRUSA-N 445.558 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507911248 INUGVULCSHEUGK-XUVXKRRUSA-N 446.542 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CC=CCC1 1507916230 MJKSOFFESNUIKU-NRFANRHFSA-N 449.647 4.847 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CC1(N2CCC(OC)CC2)CCCC1 1507977057 UBBVVBAESLIPAI-UHFFFAOYSA-N 444.023 4.644 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CC1=CCCOC1)C1CC1 1507989488 ZVUWPYZYEQSKEQ-UHFFFAOYSA-N 449.780 4.863 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1507995156 FKDYVDAHCDSKFU-KBMIEXCESA-N 441.595 4.662 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccsc1 1508004548 HSXAEVKYCDDIHH-HSZRJFAPSA-N 437.544 4.574 30 10 IJEE CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@](C)(O)c1ccsc1 1509154761 GFRJQFOZAXOHPI-VWLOTQADSA-N 447.608 4.611 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)c(C)o1 1510549947 DQZVYUIRWRWKGF-RUZDIDTESA-N 433.556 4.561 30 10 IJEE CCOC(=O)[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1cccc(C)c1C 1518236108 BQIMYUYFPXCGRN-RUZDIDTESA-N 442.515 4.788 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(Cl)s1 1518436577 FIHLGJXHNDSOBF-NRFANRHFSA-N 427.961 4.847 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccccc1 1521281390 PIZVOPSCNDVRHZ-ATIYNZHBSA-N 431.536 4.990 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1521820109 XQSCSFBZEWIOSU-AFRXXKALSA-N 428.301 4.977 30 10 IJEE C=CCCC[C@@H](C(=O)N(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1)c1ccccc1 1524354031 IVQSZKZCMLUNPH-GBXCKJPGSA-N 440.609 4.571 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2sccc2C)c(C(=O)OCC)c1C 1525887240 COSXRTSTBYRWQB-KGLIPLIRSA-N 433.551 4.688 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3ccccn3c2C(=O)OC(C)(C)C)cc1OC 1528170467 DAVRPCSQHUSWBZ-ACCUITESSA-N 449.507 4.515 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 1528634565 KJJFCZNHBQAGEE-UHFFFAOYSA-N 446.334 4.588 30 10 IJEE C=C[C@H](CC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1ccccc1 1533929077 BDPCCNZSIFSZPN-JBYIUTFZSA-N 430.951 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC)CCCC1 1539035285 OJWIFCHCCLUIHY-OALUTQOASA-N 429.609 4.778 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)C1CCCCC1 1539153600 GFNCADFMIPZTPO-VWLOTQADSA-N 449.624 4.778 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCCN1CCCC[C@@H]1C 1539196530 QFMYRHJFTLCWSC-IBGZPJMESA-N 446.064 4.948 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1ccsc1 1539300556 COWFLROJVZTQDI-UHFFFAOYSA-N 425.561 4.569 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](CC)c1ccccc1 1539346070 AAPBEMLMNHXUIC-QGZVFWFLSA-N 440.389 4.699 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1539391628 GLPWWRDJIRNCKG-HKUYNNGSSA-N 438.469 4.887 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(CC)CCCC1 1539401039 QHGXBBKYAPCDNI-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC1(COC)CCCCC1 1539547110 RAMIVTMOYSLFGA-JOCHJYFZSA-N 427.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1539659537 AWZVVTANSNVCEN-NBGIEHNGSA-N 425.621 4.867 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSC2(CCCCC2)C1 1539688464 BJVTVZZHMOVZGH-UHFFFAOYSA-N 428.602 4.795 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1539971824 UXJAJCCBOQPUKZ-DEOSSOPVSA-N 426.630 4.762 30 10 IJEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCC(CC(F)(F)F)CC1 1540027413 WFORAIPQONWYBF-UHFFFAOYSA-N 438.494 4.715 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C 1540136313 GPRPIAPTGSNDEA-RTWAWAEBSA-N 430.568 4.913 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CCCCC1)N(C)C 1540158260 CTIYSRMXXVKKCO-HXUWFJFHSA-N 429.012 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cnc(C)s1 1540158515 KVFQQUPHQLYCOA-UHFFFAOYSA-N 448.365 4.838 30 10 IJEE CC(C)n1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCC(C)(C)C)c2ccccc2c1=O 1541110906 AFUSGDJABHVYJW-GOSISDBHSA-N 449.603 4.658 30 10 IJEE N#Cc1cnc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c(Cl)c1 1544579017 HVAQJEAHUPCLLO-UHFFFAOYSA-N 430.817 4.863 30 10 IJEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CCC1 1554706152 CPBVJUVLRRGPJG-HXUWFJFHSA-N 437.588 4.560 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1C[C@@H]1CCCCC1(F)F 1555545011 ASLWQERASBALTI-FQEVSTJZSA-N 429.515 4.506 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)c2)cc1 1558111944 AZZWTNDGYSPAGS-YADHBBJMSA-N 439.437 4.566 30 10 IJEE C#CCC1(NCC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)CCCCC1 1560170706 KJHQCRPMBVFCDU-UHFFFAOYSA-N 433.552 4.592 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1cccc(Br)c1C 1561066333 SQVSCUNJVKZQPV-UHFFFAOYSA-N 434.808 4.990 30 10 IJEE C=C1CCC(CNS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC1 1561905583 UATJTIQSSINDKG-UHFFFAOYSA-N 427.389 4.597 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 1563959553 KAYFBCDCGOHZSH-UHFFFAOYSA-N 427.976 4.616 30 10 IJEE C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1564373972 HWRPQZICNMBYTQ-QZTJIDSGSA-N 446.517 4.842 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 1567263946 MZXPUKPHRZJGMP-FDDCHVKYSA-N 448.563 4.600 30 10 IJEE COc1cc(OCCN(C)C)ccc1NC(=O)c1ccccc1Sc1ccccc1C#N 1570328741 ACUQABBERQEARA-UHFFFAOYSA-N 447.560 4.911 30 10 IJEE Cc1ccc(C(=O)c2c(NC(=O)c3cc(C#N)cc(N(C)C)c3)sc3c2CCOC3)cc1 1584705660 HGFGWDAMODXIAM-UHFFFAOYSA-N 445.544 4.550 30 10 IJEE NC(=O)c1ccc(CCC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1 1584709662 GIFITLFUDVDXLR-UHFFFAOYSA-N 436.327 4.646 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1587723525 MFPFRKFKXSNJJM-UHFFFAOYSA-N 446.574 4.562 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1587936975 DNQCKKOHKIDASX-AZUAARDMSA-N 445.405 4.537 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2I)cc1 1588102515 KTCNOLCBZGUFJO-UHFFFAOYSA-N 427.669 4.691 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1588105240 RDSKWGLIKXZWSZ-GOTSBHOMSA-N 445.655 4.683 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CCCCCC1 1588446076 XGYJRTQHHJAWDA-UHFFFAOYSA-N 438.616 4.834 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccsc1 1589007361 MERAKYISTBPKCY-IBGZPJMESA-N 439.566 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(OCC)CCCC1 1589259770 QNXIOSVPQVLQTF-YOSAUDMPSA-N 428.621 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(CCC(F)(F)F)CC1CC1 1589528713 IIUPGZFUVKMVPS-QRVBRYPASA-N 442.526 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1589544146 FLGZAJWSUVHHFP-AMZDPNTKSA-N 438.616 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC(F)(F)CO1 1589608968 SJHWDGGBPMZNTP-DOTOQJQBSA-N 436.572 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1589687325 BLEHADPYHFTAKE-QFIPXVFZSA-N 448.615 4.959 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1593659914 FCJRYMXHPIGPME-GOSISDBHSA-N 444.988 4.769 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)CC(C)(C)C1 1593825902 FTIJKDCTTFSUDW-LBPRGKRZSA-N 426.790 4.671 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1594248127 XNJMZSAXFUSPBY-IBGZPJMESA-N 427.643 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@H](CC)C1 1594473241 NXHDJXKWMVPUSG-ROUUACIJSA-N 428.577 4.568 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1594608985 ZZZPIHBSMXHVMM-HXUWFJFHSA-N 448.615 4.678 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCCN2CCCC2)CC1 1594687900 ZUBPJBQLVYDBFT-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cccnc1OCC 1594858189 XMNTZVHHLQQHBN-INIZCTEOSA-N 427.936 4.536 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCCc1nnc(C)s1 1595100059 MLCGQDIQUCGMJX-UHFFFAOYSA-N 449.628 4.724 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC[C@H]1CCO[C@H](C)C1 1595141265 DHIVEXIRIYQYGP-XQBPLPMBSA-N 428.552 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCc1nnc(C)s1 1595149683 SQMFEMGFPLTELE-UHFFFAOYSA-N 440.573 4.741 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CN1Cc1ccccc1 1595424135 CKEQCNCAHORRGD-WIYYLYMNSA-N 429.495 4.882 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)ccc1F 1595460987 KJHZUAMALMYJBN-IBGZPJMESA-N 429.540 4.620 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](SCC)C1 1595658494 FOFNVZBQCGHHGD-LEWJYISDSA-N 442.629 4.507 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1613125351 BLKFJGFEXHFADE-QNJCZANYSA-N 443.567 4.748 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCc1cccc(C)n1 1615597871 GTTBZVKJKGXGOS-UHFFFAOYSA-N 442.592 4.893 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C 1624963341 LPBJJIZZUBCESK-CQSZACIVSA-N 430.467 4.693 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ncc(C(=O)OC)c3ccccc23)s1 1626799946 DNVALNYFZNWOHF-UHFFFAOYSA-N 447.969 4.812 30 10 IJEE CC(C)c1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2F)NC(=O)OC(C)(C)C)cc1 1627365554 DETPFUWKEVBBNE-OAQYLSRUSA-N 425.504 4.817 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 1628894885 DPPPRDZRSCGBRT-NRFANRHFSA-N 439.346 4.807 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1OCc1ccccc1 1634459697 PKNJGUICJMHLPX-OAQYLSRUSA-N 438.524 4.519 30 10 IJEE C#CCN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@H]1CCCc2ccccc21 1635885400 ULIUZMQCDFVWDK-IBGZPJMESA-N 434.337 4.992 30 10 IJEE C#C[C@@H](NC(=O)CSc1nccn1-c1ccccc1C)c1ccc(Br)cc1 1637658135 DNUSRSCYJAPNCL-GOSISDBHSA-N 440.366 4.526 30 10 IJEE C#CCOc1ccccc1NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1O 1638589261 QOJBWCWHCTYPCQ-UHFFFAOYSA-N 436.682 4.802 30 10 IJEE C=CCn1c(SCC(=O)N(C)CC)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1640603087 PBRWBFNSOOKTOU-INIZCTEOSA-N 432.659 4.914 30 10 IJEE C=CCn1c(SC/C(C)=C\C(=O)OC)nc2sc(-c3ccccc3)c(C)c2c1=O 1640819965 NVYJZIJJMCPNRO-OWBHPGMISA-N 426.563 4.831 30 10 IJEE Cc1cc(C(=O)CSc2ccc(C#N)cc2F)c(C)n1C[C@H]1COc2ccccc2O1 1640938848 BZXLADVNSQSEBK-SFHVURJKSA-N 436.508 4.931 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](CCC=C)c2ccc(C(F)(F)F)cc2)c1 1642447947 XLTXTZLVKCGOKW-HXUWFJFHSA-N 429.442 4.632 30 10 IJEE N#CCCN1CCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1 1643821831 DQWYNNVSSWXJNJ-UHFFFAOYSA-N 437.462 4.667 30 10 IJEE N#Cc1ccc([C@@H](O)CN2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 1644504197 GJCYLEVCDCJXIR-UIOOFZCWSA-N 431.967 4.652 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1Cl 1645795461 DMTCPXZVEHYFCL-UHFFFAOYSA-N 428.867 4.505 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1 1649399979 XGAJPUJGNZGPIV-UHFFFAOYSA-N 441.531 4.705 30 10 IJEE C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)c2ccncc2)cc1 1653095684 DMZDSMUMUNDVEX-INIZCTEOSA-N 447.926 4.538 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCCC1 1653960410 DNDADBYVXSROOK-HSZRJFAPSA-N 433.943 4.857 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CO)c1cccc(Cl)c1Cl 1659506482 HMDOQIAHRSQJAI-GUYCJALGSA-N 438.380 4.507 30 10 IJEE C#C[C@@H](NC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(Br)cc1 1659878571 ZRVAKOZCFZQWMR-OAQYLSRUSA-N 427.342 4.514 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CC1)c1ccc(Cl)cc1F 1661920679 WHOZVIQOYAQUGK-QGZVFWFLSA-N 428.312 4.574 30 10 IJEE C=CCc1cc(CNc2ccc(I)c(Cl)c2)cc(OC)c1O 1663382600 OYAJTHNDKIXZET-UHFFFAOYSA-N 429.685 4.999 30 10 IJEE C=CCN1CCC(NC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)CC1 1664007374 IJKMMDGPAXDJID-UHFFFAOYSA-N 433.478 4.540 30 10 IJEE C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1665478340 XBEQCGLWMCMHAR-YJBOKZPZSA-N 432.351 4.843 30 10 IJEE Cc1nc(C)n(-c2ccccc2NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 1669279678 DOTIPIRNWHKTSD-UHFFFAOYSA-N 428.521 4.806 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Br)c(Cl)cc1C 1669692310 OPAKJJKRNWGBBR-OAHLLOKOSA-N 428.779 4.877 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)cc(OC)c1OC 1671652364 MBAFEVIUNNYMLS-OPAMFIHVSA-N 437.540 4.515 30 10 IJEE CC(C)(C)c1cc(NC(=O)NCc2cccc(C(F)(F)F)n2)n(-c2ccc(C#N)cc2)n1 1671797519 CSVHBCJRKWZSDB-UHFFFAOYSA-N 442.445 4.777 30 10 IJEE CC(=O)c1cc(NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccc1C 1672650826 BZLHAXRHJVCHCX-BETUJISGSA-N 444.322 4.832 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCN(C)CC1 1675763533 YIAFRFVYSNZPFB-QFIPXVFZSA-N 448.998 4.692 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1677729963 ABRYWIKTSCFGPF-WWNPGLIZSA-N 439.600 4.792 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)c(F)c1 1678006652 KITTZLNKHMOPSS-MWTRTKDXSA-N 446.517 4.533 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)c1ccc(Cl)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1678907063 OITLMZIYODRULI-INIZCTEOSA-N 440.009 4.897 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1679251828 GOTJWNHRTIFQER-YRSZXAOTSA-N 428.573 4.663 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCc1ccnc(C(C)(C)C)n1 1690260271 FYJXACDOZOXDBI-UHFFFAOYSA-N 443.599 4.939 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccsc1 1690265027 IUTABLGFZVJTFI-UHFFFAOYSA-N 445.633 4.905 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCSC(C)C)CC1 1690395042 WAFNIMMOOPEXAD-UHFFFAOYSA-N 427.618 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 1690422236 IGQURDLCCYDOQO-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCSC2(CCOCC2)C1 1690434641 BNPATYGVOBRSOB-UHFFFAOYSA-N 440.657 4.882 30 10 IJEE C=CCCOCCn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1690511432 ZZTPQVKCTMTZAO-PMACEKPBSA-N 426.630 4.671 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1ncc(C)s1)C1CC1 1690546785 JOZGBUHUPFKJFS-CQSZACIVSA-N 429.540 4.871 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H]1N(C)CCCC1(C)C 1690576000 KCKAPEMJHOUTCC-NRFANRHFSA-N 438.645 4.658 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1Cc1cccc(Cl)c1C 1690607042 AMQNKGRAXMZXKH-UHFFFAOYSA-N 436.947 4.517 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCC[C@H](C)C2)C1 1690688411 UZMNSDUDGPCRKJ-CNNODRBYSA-N 444.023 4.500 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCc2c[nH]nc2C)C1 1690689549 GVLYLHVSEBROJI-QHCPKHFHSA-N 448.615 4.688 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H]2OC)C1 1696536985 DHCRTTDZXGWWNG-CIAFKFPVSA-N 439.629 4.742 30 10 IJEE COCCC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1 1697910075 GFVQKNCFKYCUBQ-DVECYGJZSA-N 443.567 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(C)nn(C)c1C 1705480522 WDOFOWFVEIVGCS-ZDUSSCGKSA-N 438.988 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC1CCCCC1 1705484329 MZIPPJUDXPQIDE-HNNXBMFYSA-N 448.398 4.549 30 10 IJEE C#CCCCCn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705522000 RVVUVNPVXQCTQR-AQNXPRMDSA-N 443.636 4.725 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC2(CCCC2)C1 1705537542 JPIZMQKEBWEVMF-UHFFFAOYSA-N 431.005 4.787 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)C(C)C)CC1 1705633335 OPXYHRIPWVNUFO-IBGZPJMESA-N 444.023 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC(C)C)C(C)C 1705708389 BTUSGAKPJSAYDJ-CVDCTZTESA-N 430.568 4.848 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](CC(C)C)N(C)C)CC1 1705765594 UCGUSQUQQUBWNF-LJQANCHMSA-N 432.012 4.740 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705794644 PCCPZVQPZPHIBH-NRFANRHFSA-N 448.615 4.619 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)c1cc(OC)cc(OC)c1 1705812969 QWRYBLGTEDTPRV-UHFFFAOYSA-N 446.349 4.787 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(F)(F)F)C1 1705827328 AVJVWIHZXIXPPS-SFHVURJKSA-N 445.489 4.865 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(F)(F)Br)C1CC1 1705849621 RFNNNSUORUDQSY-MRXNPFEDSA-N 425.321 4.963 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCN(C)C1CCCCC1 1705859269 NETHYUMWORULBS-UHFFFAOYSA-N 432.616 4.741 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1cc(Cl)ccc1OC(F)F 1705874497 OXHJNMACKKQZRA-HNNXBMFYSA-N 438.906 4.654 30 10 IJEE Cc1nc(C)c(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1707740518 AGATVBBHISPPBF-XMMPIXPASA-N 434.613 4.705 30 10 IJEE CSc1ccc(CCn2c([C@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)cc1 1712768308 HORCGRVNJWTKEK-OAQYLSRUSA-N 425.602 4.614 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccccc2)n1CCc1ccc(Br)s1 1722415204 OQRBQXMHKGRDEY-UHFFFAOYSA-N 443.414 4.590 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1722648006 GDPVDZPDXZGTHT-IBGZPJMESA-N 437.588 4.747 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1722653854 MMFAKFMUGFZVID-KNQAVFIVSA-N 437.632 4.749 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722688025 DRAZNWPWUGABOS-IBGZPJMESA-N 444.988 4.944 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H]2C)cc1 1722706196 QCHZYENHVMRQJZ-OAHLLOKOSA-N 442.361 4.638 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1CCCCO1 1740537277 CDMWNHBURHFIIN-APWZRJJASA-N 431.378 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccsc1)N(CC)CC 1740541970 LLNMSDZEJFRZBD-QFBILLFUSA-N 443.020 4.596 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740565839 JAZRFIGBEPUWOE-QHCPKHFHSA-N 449.643 4.850 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC[C@@H]1OC 1740663470 JWVGMWQCTUQOPT-URXFXBBRSA-N 431.584 4.627 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740676039 OZTKUNFJBLAQSM-SFTDATJTSA-N 439.623 4.937 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1nc(C)cs1 1740678093 ZYUCDOHKBPNNMO-INIZCTEOSA-N 434.544 4.621 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1740718393 NUEAYRFFGGXZNE-FGZHOGPDSA-N 440.613 4.626 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C2CCC1(C)CC2 1740748454 MRVCXGYHVPARPC-UHFFFAOYSA-N 431.378 4.904 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(C)(C)C 1740753615 MCXXSNAGBIEETM-UGKGYDQZSA-N 434.588 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CSCCS1 1740767266 RXMZLKKKOBYSQE-VQIMIIECSA-N 436.622 4.808 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740790464 ZGJYJCNYZKTSTM-UHFFFAOYSA-N 441.526 4.815 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1740866187 YYPIQKLVWAZRCT-NQIIRXRSSA-N 448.970 4.899 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740869079 ADVQFTVAIYJGCV-WMZOPIPTSA-N 433.394 4.986 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740869869 CLJGDPVUGXLTQM-MOPGFXCFSA-N 440.588 4.954 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(OC)ccc1Br 1740874725 XOSMKXSODNIAKV-IBGZPJMESA-N 449.393 4.893 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1740881104 XIJJMUAJLXCHAW-AVRDEDQJSA-N 439.604 4.755 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740883785 FZAOMYYKWWZPNV-LEWJYISDSA-N 439.648 4.754 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)C1CC1 1740936276 NRVCNOAMFHSBRO-QHCPKHFHSA-N 426.948 4.588 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1748710459 QIKDURSEDVATSU-UHFFFAOYSA-N 446.498 4.706 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCc2cccnc21 1748876698 QANRCLNFACMHDS-OAQYLSRUSA-N 429.955 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCC1 1749053495 IBAGXZYAGKPYGC-ATIYNZHBSA-N 449.643 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(COc2ccccc2)CC1 1749131001 PGFBVUKNJYEDFB-RDGATRHJSA-N 438.616 4.753 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCCCN2CCCC2)CC1 1749312535 MRVCXNXYFHRVBM-UHFFFAOYSA-N 437.632 4.896 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)cc(C)cc2C)CC1 1749331362 YVTVYCWBRODWRN-AREMUKBSSA-N 438.616 4.695 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](COCC)C1 1749416233 WYCHQPOVDOHTPY-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 1749527665 MWDSJRJGZGKCHT-JTSKRJEESA-N 428.964 4.647 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CC)CCOCC1 1749573806 VEAMOOFNLKJWQF-UHFFFAOYSA-N 433.556 4.985 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1749582636 MZTKJBTYUSWYKE-UHFFFAOYSA-N 437.632 4.602 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(Cl)ccc1OC 1749752778 ZZVHGVFNBOVNFZ-UHFFFAOYSA-N 444.004 4.866 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1760141309 PUZCXGRNFQYCTQ-DVECYGJZSA-N 446.599 4.539 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1Cc1cn(CCCC)nc1C 1760213154 RKISZEFZDPPDSY-UHFFFAOYSA-N 440.551 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCCCc1nc(C)cs1 1760213820 SJGFKVVFIWQOAQ-UHFFFAOYSA-N 431.609 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1c(C)noc1C 1760298336 CQYJQGZLSDIVMF-AREMUKBSSA-N 447.583 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1C[C@H](F)C1 1760340292 SHIJTIBBXIVXEZ-UGLKCIBTSA-N 435.588 4.589 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCSCC(C)C)CC1 1760383893 CDLYIEZXNYEOSO-UHFFFAOYSA-N 438.439 4.592 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760407288 ZFGXOHCPIHXPFD-PXNSSMCTSA-N 442.583 4.933 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](OC)C1 1760423824 NRCRSYKYPUZFIG-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760429006 NQZCQRYSEADAKG-MJGOQNOKSA-N 445.633 4.636 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1760435365 HBZATEXFLYZQFZ-UHFFFAOYSA-N 438.885 4.953 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](c1ccco1)N(C)C 1760455676 VUMDUBSAXPUOTA-IBGZPJMESA-N 448.596 4.895 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](OC)[C@@H](C)CC)C1CC1 1760470239 YPLBZDPWQBKHHU-HNAYVOBHSA-N 433.394 4.924 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCC[C@H]1CCCCO1)C1CC1 1760471318 RZMQNBWWPICBOW-GOSISDBHSA-N 448.409 4.550 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@@H]1C 1760484939 OODMVHXOVGPMCA-MHECFPHRSA-N 440.588 4.813 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCC(F)(F)C2)C1 1760549814 NELJQBGAVRCLAH-WOJBJXKFSA-N 446.542 4.691 30 10 IJEE COC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1769758390 FKXNQMPUCOZQSB-ROUUACIJSA-N 429.540 4.502 30 10 IJEE COc1cc(/C=C2\SC(=Nc3ccccn3)N(C3CCCCC3)C2=O)cc(OC)c1O 1772731154 KGGYNYLLSVSPDX-ALBAOUQLSA-N 439.537 4.741 30 10 IJEE COc1ccc(OC)c(/C=C2/SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)c1 1772739226 SIHBBKLSECLMIB-NLUKZUHQSA-N 438.534 4.672 30 10 IJEE Cc1ccc(NC(=O)C[C@H]2SC(=NN=Cc3ccc(-c4ccc(C)cc4)o3)NC2=O)cc1 1772741791 CZQYWZMZHQVWGQ-OAQYLSRUSA-N 446.532 4.514 30 10 IJEE C[C@@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)Nc1ccc(F)cc1 1860463820 VKKQLKRDORNMSU-LLVKDONJSA-N 428.876 4.633 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2)ccc1F 1862501229 YJCPJCGOFGVRHW-QHCPKHFHSA-N 431.463 4.791 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504586 XTFJUTFWAUSRLA-JOCHJYFZSA-N 436.483 4.619 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Br)ccc2F)cc1 1862541767 SHPWYJDNSZJXCB-LJQANCHMSA-N 444.300 4.891 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 1862674633 ZSCQLXKKMJOLLB-QFIPXVFZSA-N 442.506 4.665 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1862676265 FOBNGSQGXWGFFU-LJQANCHMSA-N 438.436 4.574 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(Br)c2)cc1 1862695943 LHIWCIFFXIAYAH-LJQANCHMSA-N 444.325 4.692 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1C(=O)O 1862715659 XHSGBFODKNKVSP-QFIPXVFZSA-N 429.472 4.916 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(F)cccc1Cl 1862736934 BMXSONPORYSGJG-VOJFVSQTSA-N 432.835 4.764 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(Cl)cccc1Cl 1862744727 SVUHPSCHARSAIN-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 1862948414 QEFTYOVHBUZJTD-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCCCC)c2)=C(c2ccc(C)c(C)c2)C1=O 1863253006 NTZWFASDIOKRGN-UHFFFAOYSA-N 432.520 4.638 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)cc3)C2=O)cc1 1863277093 OWQAQXSFPBKMHE-GOSISDBHSA-N 437.499 4.829 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)c1 1870157093 MTEKLMIPBLTNJP-UHFFFAOYSA-N 444.322 4.860 30 10 IJEE CCCCCCCOc1cn(CCCCC)c(CN2CCC3(CC2)OCCO3)cc1=O 1870411471 AITBBVKSOAJTBB-UHFFFAOYSA-N 434.621 4.727 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN1CCc2ccccc2C1 1870779786 AKBOCHVVGAXGBD-UHFFFAOYSA-N 444.575 4.749 30 10 IJEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CNc1cc(C)ccc1C 1870833015 OCIQMGCIJRGMGY-NRFANRHFSA-N 445.563 4.519 30 10 IJEE C=CCn1cc(OCc2ccccc2C)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871079223 DNSBGOWVFZMZQG-UHFFFAOYSA-N 431.536 4.801 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(C[C@H]1COc3ccccc3O1)CO2 1871359712 XGARVXRHUGSMFI-BJTQHKIYSA-N 441.483 4.603 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCCCC2)n1 1871482018 UGXWSQAYFJZHSN-UHFFFAOYSA-N 439.608 4.758 30 10 IJEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1872768683 ZHUHSKIRMPRHCP-QGZVFWFLSA-N 438.421 4.515 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1=O 1873006386 FZLFUUHUBREVIL-FQEVSTJZSA-N 425.573 4.743 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCCCCN3CCCC3)ncnc21 1873634469 LDEKSEFSUKFMJH-UHFFFAOYSA-N 446.599 4.720 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(F)(F)F)cc1)n2CC 1873655947 FEDBROJRRDTEPG-UHFFFAOYSA-N 429.446 4.901 30 10 IJEE CCCNC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874393436 MVXFNZNHSNYCJW-FRQJIFLKSA-N 441.988 4.584 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C2CCC2)cc1 1874493498 PSVZPSWQDRIRMS-AFUMVMLFSA-N 437.544 4.860 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)cc1C 1874636771 RUBSDUIHDJKYDB-SOFGYWHQSA-N 441.480 4.694 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1c(OC)cccc1OC 1874697865 DOUDELDSVBDSIB-WYMLVPIESA-N 448.471 4.836 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)c1 1875104278 OYDAGWCWQRNPBM-ZRDIBKRKSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1 1875114187 NOODDYHWYKCXOB-NTUHNPAUSA-N 447.443 4.622 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(C)cc1 1875116351 XPLHEPHKXMWEQM-NTUHNPAUSA-N 431.444 4.956 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccco1 1875116944 AIYCEAVJACLIGB-RUDMXATFSA-N 427.796 4.965 30 10 IJEE CC(C)n1ncc2c(C(=O)N3CC=C(c4cncc(C#N)c4)CC3)cc(C(C)(C)C)nc21 1890329200 HZAFHGQITIHLKJ-UHFFFAOYSA-N 428.540 4.506 30 10 IJEE CN(c1ccnc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 1890866702 QDKXKRTWYXCRIM-UHFFFAOYSA-N 449.370 4.999 30 10 IJEE C#Cc1cccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1894505654 UVKKZWIDTLCXAM-LOSJGSFVSA-N 437.495 4.717 30 10 IJEE N#Cc1ncccc1[C@@H](CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952224187 IHYNUPQIGVBVFQ-HSZRJFAPSA-N 441.487 4.788 30 10 IJEE CN1C(=CC(=O)COC(=O)C=Cc2ccc(OC(F)F)cc2)C(C)(C)c2ccccc21 2042441697 QKJJJJLUPNBVSN-UHFFFAOYSA-N 427.447 4.725 30 10 IJEE CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NCB1OC(C)(C)C(C)(C)O1 2060642020 PVWOQJRKKJISOG-UHFFFAOYSA-N 426.322 4.548 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]1C1CCC1 2073795239 QHIFIYHUHXFUGZ-HTAPYJJXSA-N 448.568 4.996 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)ccc(Br)c1F 2089289746 TYSIATCZGFCAIA-MAUKXSAKSA-N 427.358 4.854 30 10 IJEE C=CC1(CNC(=O)c2ccc(Br)cc2I)CCCC1 2142284484 CXQSNVMAWXWOBE-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(Br)c2C#N)CC[C@H]1C(F)(F)F 2174813250 UBDVUTDDEAQVBC-TZMCWYRMSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2C#N)CC1 2181100098 GKYPRCFDMCBPFJ-HDJSIYSDSA-N 436.350 4.590 30 10 IJEE C[C@H](CC1CCN(c2ccc(C#N)c(Br)c2F)CC1)NC(=O)OC(C)(C)C 2203524341 QLRVVSKTLBBASL-CYBMUJFWSA-N 440.357 4.980 30 10 IJEE CN(Cc1ccccc1)[C@H]1CCCCN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)C1 2220059142 PQFJNYNYJIFQKM-QFIPXVFZSA-N 440.462 4.534 30 10 IJEE CCCc1ccc(C#C[C@@H](O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223334280 UZFSZGKKLWORDX-JWQCQUIFSA-N 437.580 4.852 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 2262208633 YPSUTRUUTNYUEF-CMTIAEDTSA-N 435.564 4.674 30 10 IJEE C=CCCC1([C@@H](O)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2266231693 JGYFKKHTRSIYRM-INIZCTEOSA-N 432.305 4.964 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)cc1Br)CC1CCCC1 2288030028 HKLHNHUXUJJAHX-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)C1CCCCC1 2288178768 CIWUMUZHBVFQDZ-GOSISDBHSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CC[C@]1(C)NC(=O)OC(C)(C)C 2296283002 BHQBCTVKGGINJZ-QIJUGHKUSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC(F)(F)CNC(=O)OC(C)(C)C 2296296271 LZQOJTJAANAJPA-QGZVFWFLSA-N 445.348 4.719 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)C1CC1 2296298293 ISTNKXIXZSLYOS-UYAOXDASSA-N 435.406 4.720 30 10 IJEE CCC[C@@]1([C@@H](C#Cc2ccc(Br)cc2)NC)CCCN1C(=O)OC(C)(C)C 2296307684 XUGGLHXIJDCVEN-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE c1ccc(CN=C2Sc3nc4cc5c(cc4cc3CN2C[C@H]2CCCO2)OCO5)cc1 2297506754 YJLBDOISCUTFFU-LJQANCHMSA-N 433.533 4.606 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2320940835 TXUBTHHPAPDZKD-UHFFFAOYSA-N 445.548 4.615 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4OC)ccc3C2=O)cc1 2323767592 VFDKEVUGTPTOCT-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 2324055191 OYCRCLVMTYJNRA-HZPDHXFCSA-N 435.520 4.581 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OCC 2324644322 XVWAIPFOBIWHQE-UHFFFAOYSA-N 426.509 4.939 30 10 IJEE CCOc1cccc(C=Nn2c(CCCOc3ccc(OC)cc3)nnc2SCC)c1 2326258390 PSTNDRAFGLJHHH-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccccc1F 2326660916 SIXLSFOODMVKEX-UHFFFAOYSA-N 426.517 4.945 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(F)cc1F 2326684223 IRALMZFROYLUIN-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(C(=O)OC)cc2)c1 2326784119 JCXLVTUQMABRIQ-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1c(F)cccc1Cl 2327888425 VLLBTHWCFCDBFG-ZDUSSCGKSA-N 437.972 4.569 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)c1 2328607713 LMEXCDIIEVPGHV-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330119092 PIYYDBDSQVUTSG-CYBMUJFWSA-N 449.363 4.884 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2OC)o1 2330667067 NPYOVVPPBJVGME-UHFFFAOYSA-N 448.504 4.508 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1OC 2330736122 XSVBYPMAJFFNPL-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)c1OC 2331136460 HAVRKVRUOVTYHW-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OC(C)=O 2331693627 CYYJBHGISCYQNF-UHFFFAOYSA-N 430.884 4.916 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1C 2331836480 MZQYIMLOVIMZOR-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE C=CCN(CC[C@@H](NC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2337132285 TYWJYAMSOFGUAJ-GOSISDBHSA-N 427.383 4.669 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@H]3CCOC[C@H]3OCc3ccccc3)nc2)OC1(C)C 2339545368 VLJMVLGSQLNUNM-FCHUYYIVSA-N 436.361 4.512 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C[C@H]2C(=O)C#Cc2cccc(Br)c2)C1 2360195680 AMKVCOJBAUXKTG-ZHALLVOQSA-N 432.358 4.653 30 10 IJEE CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 26195576 IAGYNZKUEWHEED-BXFSZVDSSA-N 428.558 4.547 30 10 IJEE C=CCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccccc1 26968642 BTRMBLFAEGOWCX-UHFFFAOYSA-N 441.560 4.949 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1nc(-c2cccc(C)c2)no1 30924268 BVYUNEXPUUIYNB-UHFFFAOYSA-N 437.500 4.833 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)cc2)SC1=S 33432333 KMFJUPJDRHPXRF-YRAILMQZSA-N 437.542 4.701 30 10 IJEE N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)cc1 34735439 LUSMPRNKWZAUBY-UHFFFAOYSA-N 442.494 4.711 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2cccc(OC)c2O)C1=O 36258199 GVLFGAQCIMBNCY-MHWRWJLKSA-N 431.897 4.598 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(OC)c1 40077100 UNFJUFJKAVDPJN-LJQANCHMSA-N 444.325 4.836 30 10 IJEE Cc1sc(-c2ccccn2)nc1-c1ccc2c(c1)N(Cc1ccccc1C#N)C(=O)CO2 40601719 FNJSLIRVOMJVQK-UHFFFAOYSA-N 438.512 4.978 30 10 IJEE CCOC(=O)c1c(NC(=O)C2CCN(CCC#N)CC2)sc(C)c1-c1ccc(F)cc1 62039321 WGCWFBOZWJELLA-UHFFFAOYSA-N 443.544 4.604 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 63392591 XJWBJVJAWRBAHA-GOSISDBHSA-N 436.512 4.830 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2cc(OC)cc(OC)c2)C1=O 103170146 NRRKLXUTAHJAJD-UNOMPAQXSA-N 425.506 4.556 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccc(F)cc1 169940915 VSXZNQOHMJPRHG-IBGZPJMESA-N 438.480 4.691 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)cc1 169959709 ZLSGRBAGCXTBOL-QHCPKHFHSA-N 441.439 4.930 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2F)cc1C 170071986 FEGNYQMKWONDAZ-JOCHJYFZSA-N 425.500 4.836 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1c[nH]c2ccccc12 170074630 DMGRMQOMLNEPOJ-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cn(C)c3ccccc23)c1 170085777 OTILVHCWNATPQI-HSZRJFAPSA-N 430.504 4.708 30 10 IJEE Cc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103408 ITVTYFGVDHJYCV-QFIPXVFZSA-N 427.460 4.566 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1sccc1C 170107319 YMSIOXCPZMAFNS-HXUWFJFHSA-N 438.549 4.723 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OC)cc1 170116802 FLLZJGQXPSIUKZ-WAIKUNEKSA-N 435.520 4.787 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccn2)cc1 170171020 XQJZQEJKWQLCJZ-QHCPKHFHSA-N 428.488 4.744 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170176244 OQUCBAUGUFPHIO-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)ccc1Cl 170179173 DHOPJODDVWCBDV-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2C)cc1Cl 170270496 VSJYSNXKDSGLGW-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccccc1C 170277219 SBVHOHYSKYXHDG-LJQANCHMSA-N 444.325 4.754 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)cc1 170283682 LYQQRNIZTLKYBC-JOCHJYFZSA-N 433.460 4.803 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)cc1 170283684 LYQQRNIZTLKYBC-QFIPXVFZSA-N 433.460 4.803 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OCCCO)c1 170325267 JRJYOTUNXMOTKW-XMMPIXPASA-N 445.515 4.589 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c[nH]c3ccccc23)c1 170382880 DALGGUXKEUVZKL-JOCHJYFZSA-N 428.444 4.943 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cn(C)c3ccccc23)cc1 170395175 WEUAXJRGHBIQEX-QFIPXVFZSA-N 428.444 4.563 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1O 170409033 OEXWEIHPKCAQNK-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCCCCCCCCCNC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 170559977 KZVPWASAUHTHBT-UHFFFAOYSA-N 437.631 4.743 30 10 IJEE N#Cc1ccc(F)c(CNc2ccc(I)c(Br)c2)c1 311608273 DDHKVWNVIXCHEA-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](CC(=O)NC)c1ccccc1)c1ccc(C(F)(F)F)cc1 430887808 FSCBIHAZSYJVFI-WOJBJXKFSA-N 433.474 4.889 30 10 IJEE N#Cc1ccc(NC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c(Cl)c1 437800173 MGJOSSSXIHPEKG-QGZVFWFLSA-N 429.908 4.817 30 10 IJEE Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)o1 442110229 DDLKWNBLEFSGSE-IFXJQAMLSA-N 434.521 4.522 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCCc2c(C)oc3ccccc23)nnc1-c1ccco1 464275782 NEZXSJJFDPOVKF-UHFFFAOYSA-N 436.537 4.620 30 10 IJEE CC(C)(C#N)c1ccccc1CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 502341817 VMDKSCJZZZZPKL-OAQYLSRUSA-N 427.552 4.843 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)c(O)c2)cc1 526604692 VTCSEEGGWJGCHM-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(O)c2)cc1OC 526604873 KVJBLFGRTDEPHW-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)c(OCC)c1 526801311 JXQWAQCGFHNEGK-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(-c2cnc[nH]2)cc1 551059409 OMPDIXSZSKVKAC-QGZVFWFLSA-N 444.564 4.564 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)cc1 600938542 FGZRRARZRALARM-XMMPIXPASA-N 426.520 4.737 30 10 IJEE CCN(CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 609253180 RBMPCGGENHOFRK-HXUWFJFHSA-N 436.453 4.598 30 10 IJEE Cc1ccc(SCCOC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)cc1C 744513265 YVBNAWIYMIIMPI-UHFFFAOYSA-N 442.484 4.722 30 10 IJEE N#CC1CCC(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CC1 799735221 MMAGMYUVTNUABI-UHFFFAOYSA-N 440.341 4.761 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 802562362 LPYHGPZSLPOXOU-UHFFFAOYSA-N 429.565 4.588 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccn(CCc2ccccc2)n1 1129702271 CSWJYLIAAQWFDS-UHFFFAOYSA-N 426.314 4.705 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1ccccc1 1130319664 NQZTXSZOAFNFQU-NRFANRHFSA-N 434.421 4.786 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H](CN3CCCC[C@@H]3C)C2)s1 1146932333 ALEKHLWVJGMSOD-FUHWJXTLSA-N 442.094 4.952 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)C2)cc1 1153851220 CTYQPRMOUBZTIW-UHFFFAOYSA-N 430.316 4.892 30 10 IJEE N#Cc1ccc(Br)c(OCc2noc(Cc3ccc(Br)cc3)n2)c1 1166650463 DMNYFGMLPLZIEM-UHFFFAOYSA-N 449.102 4.636 30 10 IJEE C#CCN(CCN1CCCc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 1167420119 AIALOFUWHBWKLI-QFIPXVFZSA-N 425.370 4.661 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F 1175944484 HQFPPESHVXKARL-KNQAVFIVSA-N 440.421 4.615 30 10 IJEE C#CCOc1cc(F)ccc1NCc1cc(Br)cc(Br)c1N 1200837782 GRYYHBWDQROAIL-UHFFFAOYSA-N 428.099 4.557 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(C)C 1206203878 XNDUKNCZZMGDKN-PMACEKPBSA-N 433.346 4.894 30 10 IJEE Cc1cc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)ccc1Br 1214436656 CJGZSHABIUDWFE-UHFFFAOYSA-N 433.737 4.637 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1 1219185026 DVWBZBIYFRZCEG-UHFFFAOYSA-N 426.480 4.953 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1)c1ccc(F)c(F)c1 1226658493 CIFIRKLRSKUJDN-WBVHZDCISA-N 426.389 4.938 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(CCN3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1264790377 DTHLFMHMFCAFFW-VWLOTQADSA-N 427.589 4.609 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1264906085 ZMXVGEWYXXXHHS-ZIAGYGMSSA-N 443.357 4.652 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1)c1ccccc1 1265300283 GIKWEIZQCXDXDU-NOZRDPDXSA-N 448.607 4.882 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2C#N)[C@H](C)C1 1273945978 FJAIMCWNQOLUHD-LZWOXQAQSA-N 441.984 4.946 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1OC 1278338817 OJGOUIOREMUMBG-UITAMQMPSA-N 447.362 4.929 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccsc1 1286338401 MCXRQZYWTHRLCT-OAQYLSRUSA-N 433.581 4.964 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C(C)C)C1 1286499148 IYBSGDMINSXOJX-MRXNPFEDSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(F)cn1 1286527569 NEUZOVODKSYFLM-AREMUKBSSA-N 447.558 4.729 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(F)(F)F 1286550236 CMAYGLXTOHPNAR-MPGHIAIKSA-N 442.457 4.537 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CCC(C)(C)C)CC1 1286598201 BSXKJLHSDIFIRV-UHFFFAOYSA-N 443.661 4.713 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCc1csc(C)n1)C1CC1 1286734521 BZLQYUNNURXSOA-UHFFFAOYSA-N 444.402 4.870 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H](C)C1 1286739307 XWYDJAVYKXVDBB-HXUWFJFHSA-N 449.599 4.780 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1 1286836095 HHQYGPALKYLNTB-SFHVURJKSA-N 435.638 4.650 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1301016965 DHBBAEHYSWWFBE-LSDHHAIUSA-N 425.360 4.828 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1301187268 UCBXECRJIIXEJG-IBGZPJMESA-N 431.968 4.604 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@@H](C)N1CCCCC1 1301272349 GFHFSCQTXAXTCV-IFMALSPDSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCCN1CCCCCC1=O 1301356634 CHXUQRQUTUIQTG-UHFFFAOYSA-N 429.634 4.622 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1CCC 1301391012 QJRPSOJRUQDBDI-WOJBJXKFSA-N 429.609 4.932 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cc1 1301519029 OWZVGDCEYUFSAF-SANMLTNESA-N 447.583 4.595 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccsc2)N(CC)CC)C1 1301535475 LIKDXTDNGDDTKT-PMACEKPBSA-N 431.650 4.502 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1301802688 CBVDWUBPIDILFN-CVEARBPZSA-N 425.455 4.507 30 10 IJEE Cc1ccc(Sc2ccc(N3CCN(C(=O)Cc4noc(C)c4C#N)CC3)cc2)c(C)c1 1303995380 BQSPWBKYQDDGIE-UHFFFAOYSA-N 446.576 4.514 30 10 IJEE C=CCN(Cc1ccccc1Oc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1308611489 OVCCQPHGSGVELJ-SFHVURJKSA-N 426.365 4.961 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(C(C)C)ccc1Cl)c1ccc(Br)cc1 1309530201 CGCKGJLMODMRRJ-QGZVFWFLSA-N 426.763 4.879 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(=C)CC1 1358916411 KLSVNBWCTWFTDM-UHFFFAOYSA-N 429.362 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(C(=O)OC)CC1 1359107184 FLHMBARFCPNYBQ-JOCHJYFZSA-N 439.604 4.701 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ccccc2CO)CC1 1359125442 DIPNRRCTRBBTCA-DHIUTWEWSA-N 438.616 4.649 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1359217898 QTKQEUWRODTSTL-NOZRDPDXSA-N 431.584 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCSC1(C)C 1359264096 UMTGQQXBMUBIEW-QZTJIDSGSA-N 432.659 4.958 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@H](COC)C1 1359308952 DECUYFSJCVONAR-FQEVSTJZSA-N 436.556 4.713 30 10 IJEE C=CC[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1359981694 ZHFQHRBNXQZSKE-DHIUTWEWSA-N 426.988 4.968 30 10 IJEE Cc1ccc2nc(-c3ccco3)cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2c1 1435077997 FGAMUKVLPWJMMD-UHFFFAOYSA-N 438.531 4.879 30 10 IJEE O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCOc2ccc(F)cc21 1435901165 FRDQLILSSXLCTB-HNNXBMFYSA-N 437.311 4.882 30 10 IJEE CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(COc2ccccc2C#N)o1 1438599673 BMQFGHXHCLIONA-UHFFFAOYSA-N 429.432 4.641 30 10 IJEE Cc1cccc(-c2noc(SCC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)n2)c1 1442462229 CXEISWGHFLXRSC-UHFFFAOYSA-N 443.488 4.835 30 10 IJEE C=CCCCCCN(C)C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1444423534 LZBMIEQTDKSHIW-KDURUIRLSA-N 442.629 4.540 30 10 IJEE C=CCCC[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)C(=O)OC 1455835921 NECNWYMGGSCHTD-GFCCVEGCSA-N 430.751 4.945 30 10 IJEE N#Cc1ccc(NC(=O)CCNC2(c3cccc(Br)c3)CCC2)cc1Cl 1459712275 AFQVQFQWNPXJSB-UHFFFAOYSA-N 432.749 4.972 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1ccc(Br)cc1 1460787351 PYNOIUIVFKGYEO-KRWDZBQOSA-N 433.143 4.734 30 10 IJEE COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1 1462946954 GWRQJNIZTSUHIJ-FQEVSTJZSA-N 434.561 4.530 30 10 IJEE C=C(CCC(=O)OC)C(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1465405815 JYHHXKIMOSTBMV-QFIPXVFZSA-N 430.342 4.533 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)C1 1468553293 WHIHLUWEWHYURC-HXUWFJFHSA-N 426.944 4.743 30 10 IJEE C#CCN(C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)[C@@H]1CCCc2ccccc21 1468554530 IVYXTWZWMCTAHQ-RUZDIDTESA-N 438.531 4.556 30 10 IJEE C=CCn1c(SCc2ccn(-c3ccc(F)cc3F)n2)nnc1-c1ccc(OC)cc1 1472920975 DPZXHQBZTNCJGT-UHFFFAOYSA-N 439.491 4.896 30 10 IJEE Cc1ccc(CCC2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)cc1 1474804740 HLIHOZQONCHTLG-UHFFFAOYSA-N 436.499 4.919 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)c1 1475161475 BQTAAELZVMWYHI-QHCPKHFHSA-N 426.582 4.642 30 10 IJEE CC(C)(C)CC[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)OC(C)(C)C 1476100481 HMZWXSYPJXIRPL-CQSZACIVSA-N 425.476 4.818 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O 1476728594 GMIGRNLAQYMKOZ-OPAMFIHVSA-N 447.373 4.765 30 10 IJEE CC(C)(CC#N)CNC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 1478793380 HPRAPVAMBAXQFD-UHFFFAOYSA-N 431.005 4.836 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2CC2CCCCC2)cc1C 1492243549 CZXCSKLCYWXJLL-UHFFFAOYSA-N 434.588 4.858 30 10 IJEE C[C@H]1C[C@@H]1n1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(C#N)cc1 1493365076 DINSPLTTYFFWIG-WFASDCNBSA-N 428.359 4.858 30 10 IJEE CN(C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccs1 1503379893 FBHHVGWYTGIOTN-BWKNWUBXSA-N 448.640 4.558 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)SC)[C@H]1CC[C@@H](C)C1 1504860312 FXNLURKIQLLOBE-XLIONFOSSA-N 427.618 4.600 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(c2cccs2)CC1 1507570270 BYXSQSRXAPDBNC-UHFFFAOYSA-N 449.624 4.611 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCC[C@@H]1CC 1507710541 QFVPMIMEAICENO-PZJWPPBQSA-N 433.556 4.512 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)C1 1507790307 DWZOAECSWPZYCL-NSHDSACASA-N 446.176 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@H](SC)C1 1507793607 FAHFXQBNWNOYTI-HBFSDRIKSA-N 448.036 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507798998 QAOXAXBNKBNOEV-QMMLZNLJSA-N 448.970 4.930 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1C 1507816810 OGISMPNXQMSWBK-WOJBJXKFSA-N 448.615 4.904 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1507837162 JRWWIKCVKBXVDW-IBGZPJMESA-N 441.595 4.555 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1507917071 XZRWPEFLLSUSQB-SFHVURJKSA-N 430.618 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(F)c(F)c1 1508007213 VWEMVXFWQHNIEW-UHFFFAOYSA-N 425.508 4.864 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCc2csc(C(C)(C)C)n2)C1 1508131884 OMDSOJBQOFCTTG-HXUWFJFHSA-N 443.661 4.789 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1508158983 PGGDBGGMVCSTIJ-SFHVURJKSA-N 446.064 4.828 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 1515902084 MMVXUJUMFCQJJC-UHFFFAOYSA-N 449.576 4.563 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](C)c2cc(Cl)ccc2OC(F)F)c(OC)c1 1520549214 ZQXIADBKNDXSPT-CYBMUJFWSA-N 425.859 4.935 30 10 IJEE CCOC(=O)c1sc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)c(C#N)c1C 1521067059 FHWLGSIRFVDBJE-UHFFFAOYSA-N 434.517 4.865 30 10 IJEE C=CCSCCNC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 1522029576 HYTWKVLCBRJHBJ-UHFFFAOYSA-N 428.355 4.708 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)cc1 1523486961 UCKTUONFGIZCCR-NRFANRHFSA-N 428.916 4.555 30 10 IJEE C=CC[C@@]1(C(=O)O[C@H](C)c2ncccc2Br)CCCN1C(=O)OC(C)(C)C 1524942788 BWKVMAQZOUTOOL-VLIAUNLRSA-N 439.350 4.794 30 10 IJEE C#C[C@H](NC(=O)c1ccc(O[C@H](C)C(F)(F)F)nc1C)c1ccc(Br)cc1 1525053853 GIURDHYGVIGPDZ-WBMJQRKESA-N 441.247 4.586 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 1525420410 IBTCKXKOGACJAY-GOSISDBHSA-N 433.508 4.927 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)c1cc(N2CCOC2=O)ccc1F 1525713328 BVCIBRHGNZFGLZ-UHFFFAOYSA-N 432.407 4.803 30 10 IJEE Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2Cl)n1 1526840748 BHGRJUBNIOXKTO-WAIKUNEKSA-N 439.947 4.766 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(Br)cc1 1528497566 OGVTWVFAJBULFQ-OAHLLOKOSA-N 432.224 4.541 30 10 IJEE N#Cc1ccc(CNC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)cc1F 1528987923 GHPGEWRIBFMKQH-NRFANRHFSA-N 439.284 4.896 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1sccc1CC#N)c1ccc2c(c1)OCCO2 1530678922 XGYXLLMGVHCJER-UHFFFAOYSA-N 446.528 4.997 30 10 IJEE Cc1nc(SCC(=O)O[C@H](c2nc3ccccc3o2)C(F)(F)F)c(C#N)c(C)c1C 1531174312 CRFUJEWYABESBE-QGZVFWFLSA-N 435.427 4.959 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N(CCn2ccnc2)C2CCSCC2)cc1 1532330143 CWYSVFMKWMCHDX-UHFFFAOYSA-N 448.617 4.944 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1533311614 AUEITOGSGNIUKD-HNNXBMFYSA-N 425.579 4.722 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CCCN1C(=O)OC(C)(C)C 1535064555 ACFTZZIASNPKGY-RUZDIDTESA-N 446.507 4.621 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1F 1535504488 GSYCDQOBWGYMAB-AZUAARDMSA-N 448.897 4.717 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(COc2ccccc2F)on1 1537041791 FDVKDHAMQDBHJV-CQSZACIVSA-N 447.388 4.966 30 10 IJEE C=C(C)[C@@H](CC(=O)N(c1ccc(OCC)cc1)C1CCN(CC(F)(F)F)CC1)OCC 1537165322 JYRISLRPGWLYEM-OAQYLSRUSA-N 442.522 4.816 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc(F)c(F)c1 1537692050 ICMRSOBTMBPCNN-QHCPKHFHSA-N 446.453 4.808 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1539051666 DFWGIEFSLHERLO-FQEVSTJZSA-N 447.583 4.628 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCSC1 1539399165 DZKVTZBPLNFMOG-SFHVURJKSA-N 444.670 4.505 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c(OC)c1 1539442503 GKEMZKXSYMGVTG-UHFFFAOYSA-N 426.513 4.813 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCOCC(C)C 1539540059 FHGAYBHJRSJQTK-HSZRJFAPSA-N 432.515 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(OC(C)C)CC1 1539624740 VXFYHETWHVMXCM-VWNXMTODSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1cccc(OCC(F)(F)F)c1 1539660027 QAMGPRJLAQPNTQ-UHFFFAOYSA-N 433.478 4.675 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1539736077 SBFOLWKEBBBQLT-SFTDATJTSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCC(C)CC2)CC1 1539829376 XHEJEXWOILESRP-HSZRJFAPSA-N 437.632 4.923 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1539966016 DGFPLQUTTJMSHF-INIZCTEOSA-N 426.458 4.933 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCOC[C@@H]1C 1540194700 YBVZCTUTNKYGLF-JKSUJKDBSA-N 439.387 4.563 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(C)C)C1 1540911985 IIQHKJBGBHDPTQ-SFHVURJKSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1540916030 RHSUPAGXPDRCLS-UNMCSNQZSA-N 442.629 4.832 30 10 IJEE CC(C)(Cn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(F)cc1 1541990228 CDIJOPKUJDPAHO-VWLOTQADSA-N 432.547 4.511 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)C(C)C)cc1 1542540333 RYCWWKVQMCHBHY-WZONZLPQSA-N 428.598 4.792 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC=C(C)C 1545743520 MGVBEFPERDWNNR-JOCHJYFZSA-N 442.567 4.711 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC)C2)c(C)n1 1547036404 HKEZTFHKHNKTBM-FQEVSTJZSA-N 431.588 4.797 30 10 IJEE CCSc1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)ccn1 1552485406 FAKGBMOELAFYBF-INIZCTEOSA-N 441.004 4.816 30 10 IJEE COc1ccc(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1554884495 DDUNXTCKCMGZSM-BCHFMIIMSA-N 444.583 4.666 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCCc2ccccc2)cc1Br 1561403238 BWAXUXXCVUWTHN-LJQANCHMSA-N 447.398 4.887 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3cccc(Cl)c3)CCC2)c(C(F)(F)F)c1 1561844246 COMQRCNWSUQRNR-UHFFFAOYSA-N 428.863 4.631 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC(c3nccc(-c4ccccc4OC)n3)CC2)cc1 1562370160 GAGJPVAEQXRMPP-UHFFFAOYSA-N 442.519 4.576 30 10 IJEE C=CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)[C@@H](C)COC 1563487139 XXEORWCHZNAHLA-CVDCTZTESA-N 434.584 4.598 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(C(F)(F)F)c(I)c1 1584929026 AZLGAVDTYXCLSQ-UHFFFAOYSA-N 448.182 4.522 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)c1ccc(F)c(F)c1 1585438294 ACUVZKIVASFDCY-QGZVFWFLSA-N 437.512 4.802 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@@H](C)n1ccc(C)n1)c1ccc2c(c1)OCCO2 1585493241 TVXVHTBYEODMPB-HXUWFJFHSA-N 447.535 4.712 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(OC)c(OC)cc2I)CCCC1(C)C 1586319370 GTXFECLHJULDGQ-KRWDZBQOSA-N 443.325 4.515 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)CSC 1586452232 WUZKSMBPZOHKSB-GAJHUEQPSA-N 438.593 4.728 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](OCC(C)C)C1 1587723672 QQVINTWXNVWSIW-LJQANCHMSA-N 430.980 4.662 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1587812756 AZYWFOPPLSJTEO-LJQANCHMSA-N 432.490 4.581 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OCCC)nc1 1587939770 FKQAOWXSGYZGIY-UHFFFAOYSA-N 430.339 4.553 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1588452263 OZKZGQHPNSUWOD-UHFFFAOYSA-N 449.624 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCCC 1589496302 XNZVFOHDYIYHDN-YJBOKZPZSA-N 436.398 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)C1CCCCC1 1589570374 UNFXPTZINFCXFQ-SSPYTLHUSA-N 440.636 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nccnc1C 1589614774 GDUSSWVXHRNZIN-UHFFFAOYSA-N 431.371 4.995 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1594225619 CWWGVGYLOKTHAU-XMMPIXPASA-N 447.583 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3cccc(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1594528273 HXNVZYGLJCUZKO-ATIYNZHBSA-N 438.616 4.835 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)ccc1OC)C1CC1 1595071125 ZFGLOJUBWPPXOU-TZIWHRDSSA-N 428.552 4.548 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)C 1595184983 JJJOHVICFNYCBO-VQIMIIECSA-N 448.409 4.665 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[C@@H](O)C2)C1 1595689138 RXNSBAYNINQLJL-WWPVKYPJSA-N 438.616 4.575 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@]2(C)CC2(C)C)ccc1Cl 1596745834 VSDNRRGZDRXQNN-QHCPKHFHSA-N 447.000 4.887 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@H]1C 1596789088 FMLVWDOOINWGKT-KFWWJZLASA-N 434.357 4.879 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(Oc2cccnc2)c(F)c1 1611307255 AMIFHQVQXWSJJM-KRWDZBQOSA-N 436.535 4.980 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC(F)(F)F 1611896801 GSUSJPDMLFFIOY-KBPBESRZSA-N 429.874 4.989 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCC(OC)CC2)CCS1 1614215000 CHBIIAWMSAXFLN-FQUBMZHMSA-N 439.629 4.744 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)c1 1623382267 LPOYLKFQAJQILV-JOCHJYFZSA-N 429.969 4.798 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCC(Oc3cncc(Cl)c3)CC2)cc1 1625400467 FONDEGBITDVJMJ-UHFFFAOYSA-N 447.922 4.869 30 10 IJEE C=CC1(CC(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)CN(C(=O)OC(C)(C)C)C1 1626836045 CYJVAAJMJSLPNQ-HXUWFJFHSA-N 436.556 4.561 30 10 IJEE C#CC(C)(C)NC(=O)CN(CCCCC)C(=O)OCC1c2ccccc2-c2ccccc21 1628013008 PUJTZYSQHYURTK-UHFFFAOYSA-N 432.564 4.956 30 10 IJEE C#CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@@H]1CCOc2ccc(Br)cc21 1628057195 BDRROLFNAHGGSP-HXUWFJFHSA-N 442.357 4.819 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1628245123 FURFSGFKMLWKTQ-OAQYLSRUSA-N 436.961 4.617 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c(Br)nc3n2CCCC3)cc1 1629940534 GNIXCWQKUDDXFY-SFHVURJKSA-N 435.325 4.890 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(OCC)C(C)C)ccc1Cl 1631118600 VJELKHGPEJUCAF-UHFFFAOYSA-N 436.961 4.523 30 10 IJEE C=CCOc1ccc(C(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1OC 1632898884 XXFCDQZHAHXCHQ-RUZDIDTESA-N 446.588 4.663 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1634029719 HOZGPECXLBHGKC-NSISKUIASA-N 448.405 4.687 30 10 IJEE C=CCN(C(=O)CSc1nccc2ccccc12)[C@@H](Cc1ccccc1)C(=O)OCC 1634103786 JAWXGCVQTSHVNF-QFIPXVFZSA-N 434.561 4.516 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)c(F)c1 1634442055 SYAFLAHNWXVCFV-LJQANCHMSA-N 435.515 4.625 30 10 IJEE C=CCC1(CNC(=O)N2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)CCCC1 1635215111 KKWGVXPWQXUKPA-UHFFFAOYSA-N 430.593 4.586 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 1638064586 HZJBMIIDRCYUID-GHTZIAJQSA-N 440.609 4.989 30 10 IJEE C/C(=C/C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccccc1OC(F)F 1639695464 GLEJKUWQTUHWDJ-QINSGFPZSA-N 431.870 4.565 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cc1Cl 1641059810 FELBTSUEEAXNGM-FQEVSTJZSA-N 437.927 4.667 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](C)Oc3cc(C)ccc32)cc1 1641984299 DEQWPBNMHMTUFB-KRWDZBQOSA-N 444.535 4.509 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCCc3ccccc32)cc1 1644799299 CDEDEGPAJHLNSB-UHFFFAOYSA-N 428.536 4.756 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3 1651729992 BSBIUELLNFIULN-FZKQIMNGSA-N 430.570 4.740 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1 1653034995 MAZQDSNREMSHML-UHFFFAOYSA-N 436.943 4.560 30 10 IJEE C=CCC[C@H](NCC(=O)NCc1ccc(NC(=O)OC)cc1)c1ccc(C(F)(F)F)cc1 1657967924 MHMFUEHXLDBMTQ-FQEVSTJZSA-N 449.473 4.797 30 10 IJEE C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)Nc1ccccc1F 1658205907 AJEYZNFNNQVFQL-IRXDYDNUSA-N 430.483 4.752 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](c2ccc(OC)nc2)C2CC2)cc1OC 1658387330 MCDAGZYPEJQULA-HXUWFJFHSA-N 433.346 4.667 30 10 IJEE CC(C)(C#N)c1ccccc1CN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1658449687 DBKLNRWGTNVMNE-UHFFFAOYSA-N 430.474 4.856 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1OC 1662187630 GFDWDXFKXBKOEF-FUHWJXTLSA-N 437.422 4.765 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c(C#N)cn1CC 1662770509 DIYPWQOBSNIQMG-MORSLUCNSA-N 428.920 4.729 30 10 IJEE Cc1csc(-c2ccc(NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cc2)n1 1666615681 BZXBSFDDVARSIM-UHFFFAOYSA-N 431.565 4.776 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1668042045 DXNCCOGSICITTL-MDYRTPRTSA-N 437.531 4.917 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)cc21 1673311375 GSSPPRRFQYJMNA-IYARVYRRSA-N 441.576 4.675 30 10 IJEE C#CC[C@@H](COC)NC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675302614 VJRIGXYYMACENQ-QFBILLFUSA-N 444.362 4.944 30 10 IJEE C=CCOc1ccc(CNC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 1680080213 WTXWUBUXWFPIFT-UHFFFAOYSA-N 425.529 4.640 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H](C1CCCCC1)N(C)C 1690088863 ZJLGMKILRIOWCA-HSZRJFAPSA-N 425.596 4.691 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cscn1 1690238978 PWWSYYWGJJDXPZ-QFBILLFUSA-N 429.977 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(F)(F)F)CC1 1690244180 URDYBUWPQIQJKK-QUCCMNQESA-N 449.521 4.799 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1690316047 URXVHVLSGZYXHF-HXUWFJFHSA-N 435.037 4.693 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCOCCC(C)C)CC1 1690367617 VLFVHIRYGPKHKT-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1690384324 NGPUFCXRRZQIKN-CVDCTZTESA-N 442.629 4.797 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(CC)CC)N(C)C)CC1 1690412039 BIIZVJVHMAGKNZ-HSZRJFAPSA-N 427.612 4.777 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC=C(COC)CC1 1690476754 NIQLPLFFOMZSIL-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccnc(OC(F)F)c1 1690573820 FPXPXLVMPYNKTB-UHFFFAOYSA-N 433.528 4.874 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCNc1ccccn1 1705505558 LQYGRRKXLSZFDP-KRWDZBQOSA-N 441.004 4.579 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](C)(CC)C1 1705516827 JQDYKBWSCYPETF-RUZDIDTESA-N 443.636 4.823 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1705530663 RUJYORNVIHRVND-UHFFFAOYSA-N 436.600 4.931 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)Cc1cccs1 1705601843 XYKVDTZDITZOIZ-NRFANRHFSA-N 446.620 4.877 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)Cc1cccc(OC(F)F)c1 1705687475 FENYGAOFQKHQND-UHFFFAOYSA-N 429.309 4.623 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1705689312 JAWTZTKTCZBDLE-SFHVURJKSA-N 442.361 4.669 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1705704797 ZIGJTENNEFROLN-JTHBVZDNSA-N 446.599 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1705708514 CXBYEHFFGPXQRG-JQVVWYNYSA-N 446.542 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)NC1CCCCC1 1705711361 IHQJQHULXIYAKA-UHFFFAOYSA-N 435.616 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(OC(C)(C)C)nc1 1705718404 LGMILFSGUGIMFW-UHFFFAOYSA-N 449.599 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@]1(C)OCCc2sccc21 1705718874 COBLXSRWCKWREF-JOCHJYFZSA-N 428.627 4.882 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1705720345 PQKDJCAFZDSUQH-UHFFFAOYSA-N 442.523 4.610 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2ccccn2)CC1 1705762874 KPZQKYUFXJKBIE-FQEVSTJZSA-N 433.556 4.611 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1705768007 KLDOXXQCZKRRHG-NRFANRHFSA-N 440.588 4.671 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCC(C)C)CC1 1705777380 HFKVUOMEVFIVNP-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)C[C@@H]1CC 1705801957 WURLQECJAROIPM-MJGOQNOKSA-N 444.649 4.528 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN(C)C1CCCC1 1708654620 AMNPESSUJXKAAK-BVAGGSTKSA-N 434.632 4.824 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722310413 KCOQEDZXXUBHHD-SJLPKXTDSA-N 442.489 4.773 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1722450648 AOYQNTTZJXHGIN-UHFFFAOYSA-N 426.630 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1cccnc1OCCC 1722474603 OOUSHALHZBEMEU-HHHXNRCGSA-N 443.595 4.678 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2CCC[C@H]21 1722479752 HJEPPEGYCIMMRF-XJKSGUPXSA-N 437.769 4.895 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)C1CCCCC1 1722510548 SKLVEDQEXXIKHR-XMSQKQJNSA-N 429.634 4.774 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1722517419 RIPWCBPJDQOIRZ-BJKOFHAPSA-N 437.632 4.834 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1722532249 GMQHAYHSPDEQHT-QZTJIDSGSA-N 433.622 4.637 30 10 IJEE C=C(Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CN(C)CCC)C1)c1ccccc1 1722540387 CXRNXYDNCUJBRD-JOCHJYFZSA-N 430.600 4.530 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCO[C@@H](C)c2ccccc2)CC1 1722584105 WZGVAGGSOVIEST-NRFANRHFSA-N 431.584 4.834 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)CCC(C)C 1722635250 NYPUQASTXTTZEM-GOSISDBHSA-N 427.412 4.579 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCSC(F)(F)F)C1CC1 1722651868 UHIAZIXJJJODME-UHFFFAOYSA-N 426.508 4.882 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCC1(OC)CCC1 1722660507 XDOXVWGHRPEWRK-NRFANRHFSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1(OC)CCCCC1 1722660636 AVKATSKAPVKISY-UHFFFAOYSA-N 449.574 4.945 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1722673528 VKOBQQXCUCHFJJ-DHIUTWEWSA-N 444.627 4.696 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ncc(CC)s1 1722683111 GBXDSNPQACQLOT-UHFFFAOYSA-N 436.354 4.688 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCSCC(F)(F)F)C1 1722719229 YYKAEVNIGXXCLZ-INIZCTEOSA-N 446.926 4.675 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722734587 FIQJEZXKJBREBQ-HKUYNNGSSA-N 430.618 4.896 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCC 1740535721 TZSIJCBGDNRWMM-ZJOUEHCJSA-N 444.023 4.794 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)Cc1ccccc1 1740539604 QEFWFOGNLSMOPB-VQTJNVASSA-N 447.652 4.721 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCC1CCOCC1 1740757960 YKYNJUNVGNPCPK-DNQXCXABSA-N 438.616 4.742 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCCN2CCCCC2)CC1 1740826543 ODOFNDGKDOCKJP-UHFFFAOYSA-N 425.596 4.821 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1740839126 BEEHMHBXIDDXDR-DHLKQENFSA-N 438.616 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1740846347 VWDFQFVTSKULKZ-HNNXBMFYSA-N 426.515 4.683 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@@]1(OCC)CCOC1 1740852525 OZBVHBUUPKOLFJ-WZONZLPQSA-N 430.618 4.936 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(F)(F)CO1 1740856533 VBASDQAUJGGHSG-MRXNPFEDSA-N 425.911 4.600 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1C 1740938820 MWCPLIWTDQLSTD-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC2(C)C)C1 1740975027 QYTYCHJVVHQQNU-WMZOPIPTSA-N 431.378 4.535 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCSC1 1747617384 FGQDWYGNJYTBNZ-PWRODBHTSA-N 439.629 4.600 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1748738941 UNRIJXNJDAMICQ-VWLOTQADSA-N 440.588 4.550 30 10 IJEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)=C(Br)C1 1748757424 ASAWLPSSASUMJU-UHFFFAOYSA-N 438.373 4.574 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1cscc1C(F)(F)F 1748798730 HJVVNVQUXDQTDL-UHFFFAOYSA-N 434.487 4.672 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCC(C)(C)COC 1748876696 PXBLQYJWWXAQQI-UHFFFAOYSA-N 430.955 4.653 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1748917667 HYPREZATAJIESM-HXOBKFHXSA-N 431.987 4.708 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCSC1(C)C 1748944147 NONIFPJPLKKVGX-FQEVSTJZSA-N 435.572 4.651 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)C(C)(C)C1 1749046773 GBLWQNRWPQBBQI-HXUWFJFHSA-N 426.630 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCSC1(C)C 1749148811 HJZNKWCMSIPVJF-QGZVFWFLSA-N 430.618 4.896 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H]1CC 1749216574 QLKXMCUKLOJOAO-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCC[C@@H]2C)CC1 1749347756 GSROASLJMCDGAF-QFIPXVFZSA-N 437.632 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCSCC1 1749357574 VNRGAHQFOPFNAZ-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2oncc2C1 1749390146 BEHZFKQFZVNMTN-INIZCTEOSA-N 427.936 4.979 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1749473252 CEGGSZYRLSOPJK-PKOBYXMFSA-N 433.394 4.699 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1749482984 UVIFSZIXKNBAHR-UHFFFAOYSA-N 430.487 4.645 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)N(C)C)C1CC1 1749527564 JALJHBANFGJTJF-DNVJHFABSA-N 437.632 4.654 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(=C)CC1)C(C)C 1749552948 LLXVCOKPVCZIKV-DEOSSOPVSA-N 430.600 4.672 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1749760107 BZBFXRNNXDTMPH-FGZHOGPDSA-N 442.629 4.541 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N(C)C)CCCC1 1751276397 CRAFRMDBLIXZKW-ROUUACIJSA-N 445.011 4.684 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(OC(F)F)c1 1760104310 WILAREAPJGZBRS-MRXNPFEDSA-N 439.510 4.745 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCC(F)(F)C1 1760222309 GCTILNWUSUTYEO-NJDAHSKKSA-N 446.586 4.875 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccsc1 1760238192 LXBIBEQPPNKUTN-UHFFFAOYSA-N 428.989 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(CC)C1 1760330234 WEMGAWCEWOUOCD-YADHBBJMSA-N 425.621 4.779 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccncc1Cl 1760331069 OPFDWUQXNCXJEQ-UHFFFAOYSA-N 449.784 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1sc(C)nc1C 1760331472 IPYNPJMBZMUNCQ-UHFFFAOYSA-N 441.601 4.876 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760342528 FNUNOYYQARNEAE-LJQANCHMSA-N 441.645 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C2CC2)N(C)C)CC1 1760397126 NCPWFSKXOSMOJU-NFBKMPQASA-N 437.632 4.778 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccccc2Cl)CC1 1760397325 QRZNTCXOQRLCLU-DEOSSOPVSA-N 445.007 4.617 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCSC1)c1ccccc1 1760420262 LSVOSPIBCNLGCP-PZJWPPBQSA-N 439.654 4.935 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@](O)(c1ccccc1)C(F)(F)F 1760487029 HRVMVMVNJOQXQK-FQEVSTJZSA-N 436.503 4.545 30 10 IJEE C=CCSCCn1c(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)nnc1C(C)(C)C 1760568530 LPTUOYLCZWADPW-QGZVFWFLSA-N 449.615 4.656 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1765143483 DTWZJELVCCQKAL-RXFWQSSRSA-N 434.632 4.954 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1 1766360027 GSNKCPPFVNOCTK-GOSISDBHSA-N 446.640 4.642 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCO[C@@H]1CCCC[C@@H]1C)C(C)C 1766509951 CUEGKWGKSXJSKH-SIKLNZKXSA-N 425.577 4.559 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(N2CCCCC2)c1 1768601298 GBAZMJBIJOHKPW-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE COc1cc(/C=C2/SC(=NN=Cc3cccs3)N(Cc3ccco3)C2=O)ccc1O 1772758385 UDCGJFJKTMWWLO-UZCDQVSTSA-N 439.518 4.562 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1862100565 PFWYFUJXEWDOOQ-OAQYLSRUSA-N 430.552 4.501 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1Cl 1862381380 YOYGKZBIBPXHRY-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862431713 NAJXDQGWJKYJOL-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCO)cc1 1862435388 VFUBKRFQWNQYGF-FQEVSTJZSA-N 427.928 4.598 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862582452 FEGAROFQAPBPEW-KRWDZBQOSA-N 434.275 4.680 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621629 VKFNFTWFIYAAFC-QFIPXVFZSA-N 447.874 4.847 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(F)cc2F)cc1F 1862640922 MVMCHSZLNSEKPI-FQEVSTJZSA-N 433.426 4.737 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675628 PQFDZUPYLINBJG-IBGZPJMESA-N 429.419 4.944 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2C)c1 1862698752 NGOWGZZHTRMWIE-DEOSSOPVSA-N 427.500 4.825 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862703574 IZHPSCTYFINJSQ-NRFANRHFSA-N 438.480 4.762 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2)C1=O 1862766694 AUHAACRYYIJKEV-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccccc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862927652 ZAKMEYRFCFZZRO-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1 1862959908 LZHXPBRYVJMBLP-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(CCCc2ccccc2)C1=O 1863306207 VRKVYTCEPDBTCJ-UHFFFAOYSA-N 425.463 4.522 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871412571 VVKRDBARBXRRMC-GLFIFPSUSA-N 433.460 4.927 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CC 1872165277 NYJRPVRSNDHNBL-QFIPXVFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)cc1 1872570678 UGCOVICLYABSLQ-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)[C@H](C)CC 1872605285 RBZUTDBENSPVBI-UZLBHIALSA-N 447.041 4.518 30 10 IJEE Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2nc1C 1872773871 ZVJUSAFQYAHZKX-KRWDZBQOSA-N 442.500 4.631 30 10 IJEE CCCCSc1nnc(CCC)n1/N=C/c1cn(CCOC)c2ccc(OC)cc12 1873501422 VNSVQTUGQUUYIS-HZHRSRAPSA-N 429.590 4.615 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccn2)cc1 1874306339 RICKFRAHBADTGE-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE Oc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1F 1874384281 HWUIPLDHHKEWRO-AFUMVMLFSA-N 434.496 4.876 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2F)o1 1874423308 GPEIFFWMWZJWSX-SSDVNMTOSA-N 442.497 4.700 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)c(Cl)c2)cc1C 1874534539 NSSPJQSTCSQMSO-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Br)c1OCCO 1874603355 OUKBQBXPEINGJG-RMKNXTFCSA-N 427.294 4.878 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccncc1 1874700212 GZQDXJKFGYJTPH-BQYQJAHWSA-N 438.277 4.968 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cnc(C)cn3)c2)c(OCC)c1 1874714903 SSHZWIVRHCMRCK-FMIVXFBMSA-N 432.476 4.698 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875084937 HYBPCGSTGBOIEA-NTCAYCPXSA-N 447.443 4.874 30 10 IJEE COc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)cc1 1875102453 IGKPDZHKICCCDZ-MDWZMJQESA-N 448.471 4.836 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)COc1ccccc1 1875126892 GJQFFEKYZNDGAA-BUHFOSPRSA-N 447.443 4.874 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1 1875130390 RXMLTTJELSRMAD-WUXMJOGZSA-N 429.494 4.938 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1875159981 URSVXGSTBDCHIU-QLKAYGNNSA-N 434.423 4.915 30 10 IJEE C#CC[C@H](CN(C)C(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1901481176 AMEPOQVNLQWQGH-IBVKSMDESA-N 444.575 4.812 30 10 IJEE N#Cc1ccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1F 1902270763 NJYARKRMOKQCAH-UHFFFAOYSA-N 441.462 4.707 30 10 IJEE N#Cc1ccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1 1951577406 PAOALKMRFQNQQT-ZEQRLZLVSA-N 438.483 4.607 30 10 IJEE C#CC(C)(C)C[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2002379368 YVZWXQMAHHPQIA-GJZUVCINSA-N 427.633 4.574 30 10 IJEE CC=CC(=O)OCC(=O)Nc1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N 2040469963 WCELNMWDCKLLLR-UHFFFAOYSA-N 446.459 4.560 30 10 IJEE C=C(COC(C)C)[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041912974 YVZMOINIJHCMLW-ZEQKJWHPSA-N 446.632 4.790 30 10 IJEE Cc1c(C(F)(F)F)nn(-c2cccc(C(F)(F)F)c2F)c1I 2079824415 YEZZAFMCSNFMJV-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(F)c2F)C2CC2)c(I)c1C#N 2079874053 YIUCLUNLNZGIKO-MRXNPFEDSA-N 427.236 4.508 30 10 IJEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1N 2080052439 AFVWXWCIOJMVAK-CYBMUJFWSA-N 439.331 4.818 30 10 IJEE Cc1cc(Br)cc(Cn2nc(C3CCOCC3)c(C#N)c2Br)c1 2080339736 LKXPWCJIWBYWCV-UHFFFAOYSA-N 439.151 4.531 30 10 IJEE COc1ccc(-c2c(C3CCCCC3)nn3c(O)c(C#N)cnc23)c(Br)c1 2081525929 GPAGTNMYUJFEIW-UHFFFAOYSA-N 427.302 4.792 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCCC 2126704339 KUFYMGWNYNPNRS-GJZGRUSLSA-N 433.337 4.717 30 10 IJEE Cc1sc(Br)c(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1C 2157324285 VMULKIDAGRYTAI-UHFFFAOYSA-N 436.180 4.679 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)C(F)(F)CC1 2163688654 UUMQTBHMPWUSBU-HNNXBMFYSA-N 448.283 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCN(c3cc(Br)cc(F)c3C#N)CC2)C1 2174814752 LDOHVSXCKACBNG-UHFFFAOYSA-N 438.341 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2)C[C@@H]1CC(F)(F)F 2176104969 XFVZESOSWUSHJX-AWEZNQCLSA-N 448.283 4.699 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)ccc2c1 2180958437 SJWOMMQWTQBIOF-SFHVURJKSA-N 431.330 4.848 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(Br)cc1C#N 2181044782 JEZWMAQHHGHHOG-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE N#Cc1cc(F)c(Cl)cc1NC1CC2(C1)[C@@H](NC(=O)OCc1ccccc1)C2(F)F 2207112659 AMWAEFDQNODTQD-RPLTXICNSA-N 435.833 4.855 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2215217986 NEIYBEYHXUFRJX-QHCPKHFHSA-N 431.508 4.860 30 10 IJEE Cc1sc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)cc1Br 2226124790 KYDIWDQRUDLXEC-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE CCCN[C@@H](C#Cc1ccc(C)cc1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2231148236 XRGIGIPMVYLPQT-SANMLTNESA-N 449.639 4.742 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CCCC1CN(C(=O)OC(C)(C)C)C1 2235721686 RGKILPHDBVUMBL-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCCCCN1C(=O)OC(C)(C)C 2235727821 QALIUKIQHWPCKH-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#CC(C)(C)C)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428053 HYDKPYJRIANDEV-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)c(OC)c2)C1 2266709336 SXRRJLJWKSKCRL-KRWDZBQOSA-N 425.367 4.722 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CCCC2)c1 2267016025 XNRLKASLISNHDC-UHFFFAOYSA-N 435.373 4.579 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267569645 YWBJWCTXIKDUQZ-MOPGFXCFSA-N 444.381 4.547 30 10 IJEE CC1(C)CC[C@@](O)(C#Cc2cccc(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2296221560 JUUFAVVOYVHFJN-JTSKRJEESA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2296222169 PJCKSYBRIDKEEV-GOSISDBHSA-N 432.358 4.940 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 2296297004 USILXPOZDHJDDU-YZGWKJHDSA-N 433.390 4.638 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C(O)C=Cc1ccccc1 2296938731 XRKZTMHVSPJICB-QHCPKHFHSA-N 426.428 4.777 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccnc1)C2=O)c1ccc(Br)cc1 2314437345 KCCOQWPFTBBZLM-UHFFFAOYSA-N 436.261 4.722 30 10 IJEE C=CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1cccc(C(=O)O)c1 2314546970 ALXVCFAMPVFTCN-UHFFFAOYSA-N 443.322 4.937 30 10 IJEE C[C@@H](Oc1cccc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)c1)C(=O)O 2314932642 XZPLEDSWBCMPOI-SNVBAGLBSA-N 437.304 4.737 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317336007 OVYFPYZRIUXWJE-ZWKOTPCHSA-N 429.370 4.584 30 10 IJEE C=C(C)CSc1nnc(CC)n1N=Cc1cc(Br)c(OCC)c(OC)c1 2321004255 XOLPGCWDURVISM-UHFFFAOYSA-N 439.379 4.561 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CC(C)(C)C)cc(OC)c1OCc1ccccc1 2321936829 KAFLGXWGOSUEOP-UHFFFAOYSA-N 440.569 4.634 30 10 IJEE Cc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccc([N+](=O)[O-])cc2)C4=O)cc1 2322220547 CEDNFDIKOYHIOS-UHFFFAOYSA-N 442.471 4.914 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC 2323098073 NAEIOBRCWVGIOI-UHFFFAOYSA-N 440.496 4.527 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1OC 2323378881 HOIZPPPMYIKYCW-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 2323608931 UUUJXLRIVXMEGO-UHFFFAOYSA-N 447.871 4.875 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccccc1F 2324035322 HVUDSMCINJMDJH-UHFFFAOYSA-N 433.435 4.511 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c1 2324081019 PDDKKEKYMPOGLV-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324115650 GTIOMFNCLUFAIT-UHFFFAOYSA-N 442.471 4.783 30 10 IJEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)c1 2324306585 ASEXBRFMHPSIHH-HNNXBMFYSA-N 433.435 4.857 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)s1 2324800634 MZLFEGMYSVABMW-GOSISDBHSA-N 449.532 4.821 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2325118877 ZXIROKVYBRZTBI-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(OC)ccc1OC 2325513356 VEQIZRGJXCNQRQ-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2325730160 HSTVGTMPJTYFOD-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1C 2325737957 WNWZEHSXFGGLJD-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)cc1 2326140008 PMZIBBIJTCSMCY-UHFFFAOYSA-N 428.945 4.993 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccccc1C(=O)O 2327383602 SYBODLOIAVBMEV-UHFFFAOYSA-N 438.553 4.892 30 10 IJEE CC(C)c1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCCO)cc1 2328000353 ZAVNSUBIAIOTST-UHFFFAOYSA-N 428.989 4.807 30 10 IJEE COc1cc(C=NNc2ccnc(Cl)n2)cc(Br)c1OCc1ccccc1 2328841491 IBJYVIVLIBUUNY-UHFFFAOYSA-N 447.720 4.926 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)C=Cc2ccc(OCCC)cc2)cc1 2328888367 HYSBUOPTHVRECL-UHFFFAOYSA-N 434.536 4.978 30 10 IJEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccc(O)cc1O 2329883752 ICEORAYJENWYPU-UHFFFAOYSA-N 446.532 4.751 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339578544 IFYKHMCRFRIUBN-LJQANCHMSA-N 443.397 4.562 30 10 IJEE CN(C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)CC12CC2)C(=O)OC(C)(C)C 2366104591 OBFLHFPTZHGIJC-CQSZACIVSA-N 438.341 4.543 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccccc2Br)nc2ccccc12 12239863 CGQYMAVGUAOTTN-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1Br 21230841 STNAHVDEGKEDSD-IAGOWNOFSA-N 440.337 4.770 30 10 IJEE COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3onc(C)c32)c1 28052625 DAKXMZMCUOTINR-XDHUDOTRSA-N 446.503 4.967 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(C)c2)Nc2cccc(Cl)c2)c1C 32973296 KLUWHGNSWXHGEF-UHFFFAOYSA-N 437.975 4.922 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)c(OCC)c2)SC1=S 33457135 QHZRZLHETNTARK-CPNJWEJPSA-N 443.521 4.831 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)cc(C)c3C2=O)c1 41432614 SKKDODJUMILTJO-QRVIBDJDSA-N 430.456 4.742 30 10 IJEE CC(C)(C)c1ccc(C(=O)/N=C(\NCc2ccccn2)Nc2ccc3c(c2)OCCO3)cc1 46126707 JWFYRMYVCNFKOB-UHFFFAOYSA-N 444.535 4.548 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)n[nH]2)cc1 59019376 HHTIXNOKTOINOL-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2ccccc2n1Cc1ccc(C#N)cc1 95085904 JEUCTKZYMKGDBZ-FQEVSTJZSA-N 432.524 4.735 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)c2ccc3c(c2)CCCC3)S/C1=N\N=C\c1ccccc1 102890323 IHRJXNUVDZFSBF-WUQQWCGSSA-N 431.561 4.658 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 169953415 VVGOSJVOXCJWAL-XMMPIXPASA-N 442.515 4.853 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968504 OTHKVSQGXQYLKV-JOCHJYFZSA-N 449.409 4.785 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccs2)cc1 169982611 LZNDVHWHFSRXCX-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccn1 169996852 YHEUCXRQPOQINY-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(O)c2)cc1 170080169 ILXNYYCUUGXCSS-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143157 FNGBMKFYSCKNAY-LADGPHEKSA-N 449.547 4.787 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2cccs2)cc1 170157874 LWAUELOIKNWJAI-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)cc1Cl 170191117 DMHOHSUIKLHGRP-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)c1 170249608 IRSWFQCHRPCUJH-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(O)c1 170259128 OFKWBFJMSNQIHR-QFIPXVFZSA-N 429.472 4.801 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cn(C)c3ccccc23)c1 170269476 XRLQPOYBVTYBOI-QHCPKHFHSA-N 432.520 4.955 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 170422543 NGQXSVZYDIBJGH-IBGZPJMESA-N 440.286 4.562 30 10 IJEE CC(C)(C#N)CCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 227002562 GQJMLUOGGQIUAN-OAQYLSRUSA-N 438.549 4.651 30 10 IJEE N#C[C@@H](C(=O)c1cc(I)ccc1Br)c1ccccc1 232468980 VLXHGBMDLJITBF-CYBMUJFWSA-N 426.051 4.544 30 10 IJEE CCOC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(C)n2)CC1 247984509 YQFOKZPKMJQMFN-UHFFFAOYSA-N 446.334 4.651 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C 404373163 JHYBPVLXVXZIAP-ZRBLBEILSA-N 448.460 4.778 30 10 IJEE C=CC[C@@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 427810514 ZOYCKYKPIMTTDP-FGZHOGPDSA-N 428.536 4.728 30 10 IJEE O=C(c1ncc(F)cc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 430073978 FBDUGIZQYNOPKR-AWEZNQCLSA-N 440.290 4.611 30 10 IJEE CCCc1c(NC(=O)Nc2cccc3c2OCC[C@H]3OC)cnn1-c1cccc(C#N)c1 448037994 HQRGKSODCYMDDR-JOCHJYFZSA-N 431.496 4.810 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)Nc3nc4c(cc3C#N)CCCC4)c2C)cc1Cl 484174156 YNBBDXLPUTVPSY-UHFFFAOYSA-N 433.943 4.778 30 10 IJEE CC(C)(C)CN(CCC#N)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 494414552 UIYHRUXYZIEWDL-UHFFFAOYSA-N 429.590 4.924 30 10 IJEE N#CCCCOc1cccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 501712699 AGNWTRMOZGRUEA-JOCHJYFZSA-N 443.551 4.724 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccc3ccccc3n2)cc1OC 520221599 JNHYRNJZMRILDO-UHFFFAOYSA-N 427.342 4.903 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(OC)c1Cl 526802330 DLICAPQHIHRJNY-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2C)cc1[N+](=O)[O-] 526811490 LKBWETYVEINIJW-QRVIBDJDSA-N 439.541 4.939 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2ccc(OCC(C)C)cc2)c1 526825520 AEXVNPLLDQMGGF-CFRMEGHHSA-N 438.553 4.582 30 10 IJEE C=CCOc1c(Br)cc(CNCc2nc3ccccc3n2C2CC2)cc1OC 546260787 GOPYPDWTQODBLN-UHFFFAOYSA-N 442.357 4.997 30 10 IJEE C=C(C)Cn1c(N(C)Cc2cnc(C(C)C)nc2)nnc1C(F)(F)Oc1ccccc1 549303054 YURGCESYBDUXRC-UHFFFAOYSA-N 428.487 4.532 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2cccs2)C1 559010497 JTBYPQCBULWMIK-QGZVFWFLSA-N 445.386 4.923 30 10 IJEE CC(C)Sc1ccc(CC(=O)NCC#CCOc2cccc(Br)c2)cc1 585254382 HREZXNTYHMOXSR-UHFFFAOYSA-N 432.383 4.691 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1 586003514 BIKLRNZBMRCHDT-FQEVSTJZSA-N 441.522 4.837 30 10 IJEE COc1cc(OC)cc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C)c(C)c2)c1 586211530 JQNXGCZWBGUNEP-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE COc1nsc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1Br 690141181 WQVRLFDGZKNHAO-ZDUSSCGKSA-N 438.347 4.916 30 10 IJEE CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=Nc2cccc(Cl)c2)S1 725386313 WGMQLHFTLMDWKM-KRWDZBQOSA-N 436.364 4.651 30 10 IJEE C[C@@H](OC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)NC1(C#N)CCCCC1 732680746 LGBNLWOVWCQSDE-OAHLLOKOSA-N 428.435 4.645 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc(C)c(C)c1 742212430 OTEDZYBAQKFTPV-QFIPXVFZSA-N 449.576 4.686 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 746070500 RZTOIEYFSOBBCB-LIRRHRJNSA-N 425.872 4.969 30 10 IJEE COCCN(CCC#N)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 748320428 MNJWHXHDNQFGRF-UHFFFAOYSA-N 438.325 4.667 30 10 IJEE CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)cc1 759213495 CBLWSLYDFOUPNE-IBGZPJMESA-N 431.517 4.832 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1 778297888 LYYORDPMSUMOSZ-FQEVSTJZSA-N 434.927 4.920 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 804457282 RNGUMWMBBWGISG-LJQANCHMSA-N 440.469 4.774 30 10 IJEE CC1(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CCN(c2ccc(Cl)cc2C#N)CC1 804649887 QWJCEBQLASTQCA-FQEVSTJZSA-N 428.363 4.755 30 10 IJEE C=CCCC[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccccc1 1124235298 HVDXUFBUZLKKST-VUZMPXBXSA-N 434.561 4.979 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n(Cc2ccccc2)n1 1124813283 CQEYPOWGDLIFTR-HXUWFJFHSA-N 445.542 4.705 30 10 IJEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(F)(F)c2ccc(Br)cc2)c1C 1126394073 CSDOLTGLDVQOFM-UHFFFAOYSA-N 445.267 4.854 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 1126752472 CYVVCCYOTTVLEZ-RLWLMLJZSA-N 439.559 4.920 30 10 IJEE C=CC[C@H]1N(C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)CCCC1(C)C 1128473099 GZDIYWIGDKPQEV-LJQANCHMSA-N 431.577 4.996 30 10 IJEE C=C(C)[C@@H](CC(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21)OCC 1129568592 HASOSZJQAMOYHG-IFXJQAMLSA-N 425.342 4.665 30 10 IJEE COc1ccc(OC(F)(F)F)c(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)c1 1130027393 FXXPWGUYNVDNQO-UHFFFAOYSA-N 427.382 4.707 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 1136210260 ZNBJAFDBNWUTPD-SFHVURJKSA-N 446.588 4.720 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC3(c4cccc(C)c4)CCCCC3)ccc2c1=O 1136276909 QTJJNWIKVARPBN-UHFFFAOYSA-N 447.604 4.812 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)COc1ccccc1C(F)(F)F 1136409162 KAVGRWDFYSJCKN-NVXWUHKLSA-N 444.494 4.839 30 10 IJEE C[C@H]1CN(c2ccnc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)C[C@H](C)O1 1148215750 BFKUGQFDMORMIW-IRXDYDNUSA-N 446.482 4.751 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)nc2cc(Cl)ccc2c1=O 1164459207 UEWYRNBCUOKFAJ-YRNRMSPPSA-N 448.032 4.857 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCCC1 1166527833 FPPDSCIOTQYXNV-UHFFFAOYSA-N 430.545 4.883 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(C#N)C1 1167597397 HSZTXJZROAAXMP-HNEHEIDXSA-N 445.563 4.702 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2COc3cccc(Br)c3C2)cc1OC 1179430374 ZLEXLCLQAWGMSG-CQSZACIVSA-N 438.749 4.769 30 10 IJEE C=CCN(Cc1ccccc1)c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 1185939054 DRJRGKASBRPHIB-UHFFFAOYSA-N 443.569 4.644 30 10 IJEE COc1ccccc1[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 1186785987 CARKJCKYKMVZBH-OAQYLSRUSA-N 446.450 4.654 30 10 IJEE Cc1cc(C2(NS(=O)(=O)c3ccc(C#N)s3)CCCCC2)ccc1Br 1191411809 DDKZQPZCTVVZRW-UHFFFAOYSA-N 439.400 4.829 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1200402813 OBNPMQQFWPHXLL-UGKGYDQZSA-N 441.572 4.732 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)OCC(C)C)CC1)c1ccc(C(F)(F)F)cc1 1230694346 SQIHIEQEBABMGU-IBGZPJMESA-N 441.494 4.833 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc3ccn(CCOC)c3c2)CCCN1C(=O)OC(C)(C)C 1266664447 DJMOFFJQLMDIAC-DEOSSOPVSA-N 427.545 4.572 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](OC)C(C)(C)C 1286450889 MRDSHTGHIRQFOU-SFHVURJKSA-N 439.387 4.685 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1286533920 MAYBSNHYIIHWCU-SJLPKXTDSA-N 446.349 4.921 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1cccs1)C(C)C 1286564962 OBMVONBOTZEEFZ-NFBKMPQASA-N 437.613 4.722 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1286634630 YTXCWYPBPOEJRF-RDJZCZTQSA-N 427.515 4.647 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[C@H](OC)C1)c1ccccc1 1286679097 KCAGWBFAVAOEOZ-ZFJSRUIDSA-N 431.584 4.870 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(F)(F)F)cs1 1286713339 DSRURQPJSRXIDK-LBPRGKRZSA-N 441.454 4.703 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 1286731424 MLUDCJBSXVHSBP-YJBOKZPZSA-N 441.542 4.720 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)(C#N)CC1 1286835159 RVNYSPCOJOMUFM-UHFFFAOYSA-N 425.602 4.523 30 10 IJEE CCCC1(Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(CC#N)CC2)CCC1 1294034675 GEFIZWOYMDBGIG-UHFFFAOYSA-N 437.588 4.966 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1300339659 QOYCMLPRUDYXDY-NRFANRHFSA-N 436.604 4.552 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(N(C)C)CCCCC1 1300432526 WZAXRUFDGLXDSW-UHFFFAOYSA-N 444.627 4.687 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1300564801 HGVAHWNDWBDQRL-UNMCSNQZSA-N 439.003 4.903 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1CCN(CCC(C)C)CC1 1300602979 MKPASHSSBDYFHA-UHFFFAOYSA-N 447.671 4.966 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1cccc(C)n1 1300637804 LGKNUKJDMIWVJO-UHFFFAOYSA-N 431.584 4.695 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCC1(F)F 1300655417 XELYGBHORLXCQD-HNNXBMFYSA-N 440.897 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1300874551 KVKXMHYHIMIVMK-FCEUIQTBSA-N 445.007 4.831 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ncccc2C)CC1 1301075927 UOOVEIXWXLCLPI-UHFFFAOYSA-N 442.336 4.755 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1301129916 GXWSAQAJNQXTAV-RTBURBONSA-N 436.526 4.836 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301193969 CNAFEKYRSPFMBY-JOCHJYFZSA-N 438.616 4.962 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1C 1301203578 WTPFUGMRZPVQOW-UHFFFAOYSA-N 428.378 4.957 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1301257518 AKMHFEVZEJHQCC-HXUWFJFHSA-N 432.996 4.691 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@H](O)C2)CC1 1303009053 DCZNWXGCDJIJQS-AEFFLSMTSA-N 448.398 4.933 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)C[C@@H](C(F)(F)F)O1 1305148051 GXFSFFGSNNQYFJ-JXFKEZNVSA-N 447.505 4.943 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2cccc(Br)c2)C1 1307778795 HLQHSHLZOWSRJX-UKRRQHHQSA-N 444.398 4.687 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 1308761206 UDGFCYIUUJRSOR-UHFFFAOYSA-N 445.633 4.792 30 10 IJEE C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H](c2ccccc2)C1 1309578983 GUONOUUKLJEKQY-WBAXXEDZSA-N 433.371 4.571 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 1310316555 KRZDKBOLGWHFEU-QGZVFWFLSA-N 442.357 4.809 30 10 IJEE CC(=O)OC1CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1310923741 HNQAXXNXLLIQFV-UHFFFAOYSA-N 430.320 4.535 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](c3cccc(Cl)c3)C3CCCCC3)CC2)cn1 1312285401 GXUVIXOEMITUQC-QHCPKHFHSA-N 437.975 4.760 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C)c1ccc(F)c(F)c1 1312536727 QRJRXFQWBBTTEQ-UXHICEINSA-N 437.531 4.869 30 10 IJEE N#Cc1ccc(C[C@H](C#N)C(=O)O[C@@H](c2cc(Br)cs2)C(F)(F)F)cc1 1358340847 HQGQDOFSZHONFC-DOMZBBRYSA-N 443.244 4.911 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1cccs1)N1CCCC1 1358883256 RBBXDMRTJVQEFZ-XLIONFOSSA-N 440.016 4.955 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359004602 CPPWWDNYFMOTEY-OYRHEFFESA-N 444.627 4.709 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(c3ccc(C)c(C)c3)CC2)nnc1C(C)(C)C 1359105024 IYMJWZKOGUHOQH-GGAORHGYSA-N 437.632 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1359116298 GFRMUZBUKHXVDL-YCFYUYSTSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C)s1 1359121189 APEZUQRCRKHOBR-SFHVURJKSA-N 445.633 4.975 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1359125650 NIFXQSNXNRBERS-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(F)F)C1 1359192178 YLQCAHGCZGVASO-KRWDZBQOSA-N 434.531 4.950 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@@H](CC)C1)c1ccccc1 1359195250 JHYAPWKFJKLDRW-GMAHTHKFSA-N 433.625 4.956 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1Cc1cc(F)ccc1N1CCOCC1 1359196740 QVHHCJXLXNMKRD-UHFFFAOYSA-N 443.611 4.782 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359204725 YXMPPYRJCSYYTP-GOSISDBHSA-N 439.510 4.556 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1359223315 HVQNPRJIRLILGN-UHFFFAOYSA-N 441.526 4.815 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CC1CCN(Cc2cccs2)CC1 1359255882 NLBJBUJYKHKXMC-UHFFFAOYSA-N 446.624 4.625 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)C(C)(C)C)cc1 1435953679 OWIJLXKVZDFWAM-UHFFFAOYSA-N 441.593 4.876 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2ccc3cncc(Br)c3n2)cc1C#N 1436350759 FGMBLVSGDJIIPS-UHFFFAOYSA-N 425.286 4.694 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 1453936642 SASLBCKSVJCSBL-QZTJIDSGSA-N 437.378 4.972 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC(C)(c3nnc(-c4cccc(F)c4)o3)C2)cc1OC 1462448180 VZDIPQGZFMZGKE-UHFFFAOYSA-N 443.906 4.876 30 10 IJEE CC(C)c1ccc(C[C@@H]2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)cc1 1463466020 CEFSVBKCALLMOS-KRWDZBQOSA-N 447.398 4.697 30 10 IJEE C#CCN(C(=O)CCCN(CCC)CCC)[C@@H]1CCOc2ccc(Br)cc21 1465180042 UZQWOTQTHNUNAT-HXUWFJFHSA-N 435.406 4.637 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N[C@H](c3c[nH]c4cccc(F)c34)C(F)(F)F)C2=O)cc1 1473579336 BTGVXTSNVBRINU-UYAOXDASSA-N 430.405 4.567 30 10 IJEE CC(C)(C)[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1cccc(F)c1 1474881605 FNAZBJDRRBLFGR-QGZVFWFLSA-N 425.323 4.526 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1 1474923488 PKCAORIAAWMIOR-UHFFFAOYSA-N 445.949 4.565 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)C1CCOCC1 1476419938 MEBQUWXMZHIWES-MRXNPFEDSA-N 448.976 4.831 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1477863415 JXYKESHQWMSISR-NRFANRHFSA-N 433.568 4.997 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1478806210 PHEIVLMUQLEEPZ-DHIUTWEWSA-N 441.616 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1507534878 BCNOJPNZHJXATI-GOSISDBHSA-N 425.577 4.524 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C(C)(C)C1 1507555623 UJTVJNOCIGXCBF-MRXNPFEDSA-N 432.410 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC[C@@H]1CC 1507611873 SJYSJIBKKCELEH-DOTOQJQBSA-N 431.378 4.612 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H]1CC=CCC1 1507777276 DJBRAXCORALKHX-INIZCTEOSA-N 447.377 4.663 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSc2ccc(C)cc2)CC1 1507882368 ZPNRSWMRUQJRBE-DEOSSOPVSA-N 442.629 4.576 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507887228 ATXWUXJIXHRZBU-ATIYNZHBSA-N 437.632 4.832 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)COCC)CC1 1507908723 CHBLUKBBZZFGTA-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnn(CC(C)C)c2C)CC1 1507908759 DJGCKQOLJSZWOX-UHFFFAOYSA-N 448.615 4.777 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1507911199 DIFKHFCJXMHOQX-IBGZPJMESA-N 436.560 4.632 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NC(C)C)CC1 1507912492 IKPLMCLIGNQRPZ-UHFFFAOYSA-N 447.631 4.700 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1507956455 NULMQUZEDRJLDC-SFHVURJKSA-N 442.457 4.510 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1507989286 AUOCOYVQMQYDAF-UHFFFAOYSA-N 429.446 4.571 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCCO2)C1 1508124799 CCFSCRBWJJBBES-RTBURBONSA-N 449.020 4.574 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(C)C 1508166712 BUFNANJRAWEVIX-SFHVURJKSA-N 437.654 4.752 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(I)c1C)c1ccc(F)c(F)c1 1517409222 GTXLAEOZBIYJKI-QGZVFWFLSA-N 427.232 4.925 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Br)ccc2OC(C)C)c(OC)c1 1519864164 HZLZXBGKCHDEOW-UHFFFAOYSA-N 434.330 4.991 30 10 IJEE Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc(C)c1Br 1520567572 CFAMWTYSFJDQRJ-UHFFFAOYSA-N 430.321 4.932 30 10 IJEE C=CCOc1ccc(COC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1 1521578156 NGSDOFRCQRIYPH-UHFFFAOYSA-N 431.414 4.575 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1524092150 RQKAYYMFZADNIF-RTWAWAEBSA-N 432.358 4.809 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)C=C)c1 1525860442 WZSNINWRRIWQET-UHFFFAOYSA-N 432.973 4.663 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 1526883093 DOMBQAJFKFIUJX-OAHLLOKOSA-N 432.442 4.888 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCC[C@@H]1CC 1539301601 RPOUWWXJJFQMGI-RBBKRZOGSA-N 426.568 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCCn1ccnc1C 1539391662 HGRQQKMCXXABAQ-UHFFFAOYSA-N 436.579 4.631 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1539506520 JZHCCHUCRAGFTM-FQEVSTJZSA-N 449.624 4.644 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccnc(Oc2ccccc2F)c1 1539558931 QZMSLGUTYNEWQG-RUZDIDTESA-N 433.531 4.843 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1539585975 DZLBAQFKZZBZGK-CHWSQXEVSA-N 425.733 4.881 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1539606487 GSJXWAYAGFEPJZ-VQTJNVASSA-N 429.406 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CCOC)CCCC1 1539659136 KSMRNYPYQUPSEF-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1539916189 HXFLLOXJFYJQTK-IRLDBZIGSA-N 442.579 4.709 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1540021930 WQNVMGAPMGYAAF-RTBURBONSA-N 428.602 4.693 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1540616993 NKRILHXQNHJCNB-DEOSSOPVSA-N 440.609 4.618 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN(C)c2ccccc2F)o1 1542330283 DAWIABDZYVEROH-DEOSSOPVSA-N 436.535 4.642 30 10 IJEE C=CC[C@@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1ccncc1 1543815929 CVIUBJLDGRXQBR-GOSISDBHSA-N 442.585 4.700 30 10 IJEE CCCN1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)C1 1547180165 ASWREMWLPPJCHV-ZWKOTPCHSA-N 447.052 4.694 30 10 IJEE CCOC(=O)c1nc(-c2ccccc2)oc1COc1ccc(Br)c(C#N)c1 1559474845 AOJIBLSIOYJXRU-UHFFFAOYSA-N 427.254 4.731 30 10 IJEE C[C@H](c1ccccc1Oc1cccc(Cl)c1)N(C)S(=O)(=O)c1cncc(C#N)c1 1561878807 CUJFKDLNEDGLFA-OAHLLOKOSA-N 427.913 4.781 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Cl)c(I)c1)c1ccc(F)cc1 1562975492 RNXFJYBCPJRUHF-OAHLLOKOSA-N 428.632 4.580 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(Br)cc1 1564999186 HRMLGMGKXSOIBA-XPWALMASSA-N 449.348 4.898 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1ccc(C(F)(F)F)cc1 1583127928 CMOPIHNCHGJNIX-OAHLLOKOSA-N 448.363 4.914 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H](c1ccccc1)N1CCOC1=O 1585624405 FYXQSDUQTKIKBU-OXQOHEQNSA-N 445.441 4.530 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2)c1ccccc1 1586027909 TVECGEWIBMYSBW-VOSLCCPRSA-N 425.550 4.752 30 10 IJEE Cc1cc(C(=O)N2CC(C)(C)c3ccc(Br)cc32)nn1-c1cccc(C#N)c1 1586474154 CJIKPKQVBULAJG-UHFFFAOYSA-N 435.325 4.753 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1587745849 ADBVGUDCCZTEPY-YADHBBJMSA-N 437.607 4.979 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCSC2(CCCCC2)C1 1587872451 JISBAIJQUZYTKQ-UHFFFAOYSA-N 438.641 4.741 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H]1CC 1589287486 AFTPEQIZKLIKIK-KBXCAEBGSA-N 446.393 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@@H](CC)C1 1589496055 WAAVHHVZFUUTDB-HOJAQTOUSA-N 433.021 4.912 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@H]1C 1593718010 NWFAFTKKHFYINC-JKSUJKDBSA-N 449.393 4.544 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2csc(C)n2)CC1 1594128689 UACLODOLKUFIBC-UHFFFAOYSA-N 429.977 4.675 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC)[C@@H](C)C1 1594573104 OLGYKOUAKZOIFG-OALUTQOASA-N 432.012 4.958 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1594687173 HIPSWZGJWIVZTG-LJQANCHMSA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C)CCOCC1 1594906987 NPXBRWOMXJDFIY-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1cscc1C 1595119703 DFEDENXWMCOUKK-UHFFFAOYSA-N 432.597 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)NC(C)C 1595156378 KKQWJIHFFZINNY-UHFFFAOYSA-N 448.596 4.595 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCc1scnc1C 1595239934 XGJMQVSUCSBSKO-UHFFFAOYSA-N 444.608 4.891 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCOC1 1595244159 TYXACSMRGRZUHP-QGZVFWFLSA-N 444.938 4.992 30 10 IJEE Cc1ncsc1CCn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1611858453 HMSKJZBSMLFVSF-UHFFFAOYSA-N 432.597 4.749 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(C#N)c(Br)c3F)CC2)C1 1612432916 WDOKWJRJZZAPGC-UHFFFAOYSA-N 438.341 4.687 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2ccc(Cl)cc2I)c1 1622954566 MLLKRXYFKYJNBR-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C=CCC[C@H](CO)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1622971309 VLGNPRLAECXMMB-GOSISDBHSA-N 435.446 4.715 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12 1627479175 LLLHDQNYATZSOY-ZFWWWQNUSA-N 449.349 4.530 30 10 IJEE C#C[C@H](NC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)C(C)(C)C 1628948356 STIAEOGRVDYLFM-SFHVURJKSA-N 431.305 4.618 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1636571817 VJSZLYAUPZNOST-MXOMYUGUSA-N 449.954 4.629 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 1637097270 SIXGSEGQWXAUND-RTBURBONSA-N 431.989 4.840 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1637539892 MYRDOEUDRHJHLR-NMIHRBCNSA-N 427.589 4.603 30 10 IJEE N#Cc1cc(F)c(N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1Br 1639577546 CVXIUYSDVXCNRL-AWEZNQCLSA-N 428.305 4.708 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1639967247 WKHJJAJZMKIIDH-OAQYLSRUSA-N 430.508 4.947 30 10 IJEE C#Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1 1640976645 GWVBOQFGEYFYMI-LJQANCHMSA-N 432.442 4.569 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 1645282825 CGSOPMVGSFWRIY-SFHVURJKSA-N 447.645 4.528 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 1645647235 MTJJPHWQXSLPKX-SJLPKXTDSA-N 433.618 4.587 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1651414643 WSDBHYOATIQHJT-AWEZNQCLSA-N 428.451 4.576 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H](C)CC(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540034 IQUVVVNQDQFZKY-JKSUJKDBSA-N 447.670 4.754 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)Cc1c(F)cccc1F 1652415885 AFKGICUCTLECHR-UHFFFAOYSA-N 440.469 4.844 30 10 IJEE C=C(Br)CN1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1655275309 MZEFUZKCZUSCPS-ZDUSSCGKSA-N 431.168 4.993 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(SCC3CCN(C(=O)OC(C)(C)C)CC3)c2c1 1655283256 FPQWLLGGGFDXFI-UHFFFAOYSA-N 443.569 4.863 30 10 IJEE N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 1656984004 AWGSPFMOCAFLMI-UHFFFAOYSA-N 429.951 4.766 30 10 IJEE CCS[C@@H]1CCCCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 1657292611 CQVBMITVNNNALW-HXUWFJFHSA-N 436.625 4.774 30 10 IJEE C#CCN(Cc1c(C)nn(C(C)(C)C)c1C)[C@@H]1CCOc2ccc(Br)cc21 1657513725 LMNUGQMXJQHDLB-HXUWFJFHSA-N 430.390 4.976 30 10 IJEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 1659901518 UFRXSGXMBAKGGR-UHFFFAOYSA-N 432.314 4.566 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(Br)cc1 1668074522 KUFBPQNZDUBYRJ-HXUWFJFHSA-N 447.336 4.860 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 1672210022 OSKHZBWKYMBKQR-FXAWDEMLSA-N 448.336 4.720 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC(OCCCc2ccccc2)C1 1672708905 VWROYRPDLVLGCO-UHFFFAOYSA-N 445.357 4.879 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc1 1681848261 MVTNHCFHXKZADP-NRFANRHFSA-N 445.332 4.941 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccccc1)C1(CO)CCCC1)c1ccc(Br)cc1 1682357313 WZKZNCMCSCPKIZ-NHCUHLMSSA-N 441.369 4.717 30 10 IJEE C=CC(C)(C)CNC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1682601185 FZTAAEYULMMHIM-DHDCSXOGSA-N 442.368 4.541 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 1683106738 LXCXGXIMLWDUOD-QHCPKHFHSA-N 446.620 4.825 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(Br)cc(C)c2C1)c1ccc(Cl)cc1F 1683516544 CVIYQYICWINYGN-IBGZPJMESA-N 435.724 4.992 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 1683854369 DDFSBLYRMWAURS-OFNKIYASSA-N 426.532 4.868 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CCCC1(C)C 1684042593 GNZGXCKHOALUOV-WOJBJXKFSA-N 449.636 4.569 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1686427113 FDQZTOPXMMFXGA-VWLOTQADSA-N 443.588 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1689839806 MTRRWLHDLLQAJB-NQIIRXRSSA-N 437.975 4.877 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1689904329 RVHHBZCVMCBDGM-XMMPIXPASA-N 436.600 4.673 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)CCC 1689928620 SKYMXQPQEKIVQR-VQTJNVASSA-N 431.625 4.678 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1690157375 FHTMZZVKMKSHCN-QKLQHJQFSA-N 431.005 4.817 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC(C)(C)C)CC1 1690159752 LKQSRCVASHNSGY-UHFFFAOYSA-N 433.021 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCCO1 1690193508 LQHFEYOOBPEJDB-NLSFWIRASA-N 428.964 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](C)c1ncc(C)s1 1690212365 JMIHVGQRJUEJOX-MHECFPHRSA-N 435.597 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1690241171 PILBRZWRCSFFBN-SGNDLWITSA-N 438.616 4.740 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCCCCC2)C1 1690360953 CLFQYVOVKVLYEI-RTBURBONSA-N 437.028 4.879 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ncc(CC)s2)CC1 1690402465 DAOMEEZEZGHLFN-UHFFFAOYSA-N 438.557 4.517 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1 1690496755 XILPMAGYGOTOPV-OALUTQOASA-N 441.576 4.903 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1690733976 SCHFNWKOSNZHRL-HTAPYJJXSA-N 429.565 4.606 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CC(C)(C)C2)cc1 1696140491 GYHQPMGDJOGLGO-MZNJEOGPSA-N 441.551 4.695 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1705688499 UZLNHRKPDGBVNX-UHFFFAOYSA-N 427.749 4.615 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCCC 1705702216 FOWYDARTSAWUEB-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1705779065 UHHBSDCZMUCMSJ-AZUAARDMSA-N 440.588 4.570 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC(C)(C)[C@@H]1C 1705826288 AAHMWQCLPMHWON-SFHVURJKSA-N 444.645 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](OC)C(F)(F)F 1705836648 AEWGDHSOUPIOEI-QGZVFWFLSA-N 428.524 4.865 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1C 1705950083 RCIHSQOYGKYOTK-BZSNNMDCSA-N 435.638 4.504 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1722297680 MEHGKUQMPSJYKN-JLMWRMLUSA-N 439.654 4.533 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)[C@H]1C 1722327589 GSKVBWNSUMLCLX-CHWSQXEVSA-N 425.421 4.513 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)C1CCCCC1 1722452487 PFYIUUGHCXOZTR-UHFFFAOYSA-N 433.419 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)C1CCCCC1 1722473880 DLPMNUULRIYBQW-KAYWLYCHSA-N 434.628 4.777 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H]1CC 1722482974 FDWJOIRSQKXWEY-INIZCTEOSA-N 428.334 4.888 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C)[C@@H]1C 1722501889 RALHJWJEHYOHHI-XWQURZDVSA-N 442.629 4.795 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)C(C)(C)C1 1722523542 YLTJTUNEZVPYDZ-GOSISDBHSA-N 431.625 4.841 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1722564887 UDGMOVPLSYVWQT-HBMCJLEFSA-N 440.588 4.524 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722590382 CIMNZDMBYDHFPI-XZOQPEGZSA-N 443.680 4.723 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722596768 ADGNBISPPCAQET-IBGZPJMESA-N 437.544 4.763 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722606149 FZJIBXLMHMQULQ-FGZHOGPDSA-N 425.621 4.749 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CN(C)CCC)C1 1722606946 KYGFGJFFLJKVAJ-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CCCCCn1c(N2CCCc3sccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722610194 LZCWBBIJAZBDIQ-HSZRJFAPSA-N 430.618 4.689 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1)C1CC1 1722652963 PNUBGKTXJKBQEA-BGYRXZFFSA-N 437.588 4.560 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722680607 SMKFXTPHLMCOGJ-MSOLQXFVSA-N 440.485 4.940 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C(C)C)C1 1722734927 LGRNXPSKPSTHGZ-PKOBYXMFSA-N 446.686 4.912 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1F 1722861712 BULIKIDIECEWEV-ZDUSSCGKSA-N 448.365 4.747 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN(CC)CC 1740540181 YJMOBVAJVKKIIS-HXUWFJFHSA-N 432.616 4.542 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC(=C)C 1740574870 JBCUNAIVJVRMQV-HXUWFJFHSA-N 429.609 4.599 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1c(C)noc1C 1740613548 MAEGVMCEFICONR-KRWDZBQOSA-N 435.572 4.633 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(C)s1 1740636500 SEVZEIHOHYFENH-UHFFFAOYSA-N 442.544 4.608 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H]1CCCCN1CCC 1740679405 XJVXGCFPJJOOKI-QHCPKHFHSA-N 425.596 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740761262 VLTZJNXGKLTOST-JZWVFAODSA-N 445.007 4.689 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(F)F)C1 1740780739 LGQZGSLYQOHACN-LBPRGKRZSA-N 429.284 4.904 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nc(C(F)(F)F)cs2)CC1 1740826961 DHBRFVXXJLXQDM-UHFFFAOYSA-N 449.502 4.558 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740883787 FZAOMYYKWWZPNV-RTWAWAEBSA-N 439.648 4.754 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCNC(=O)[C@@H](C)CCC 1740893066 WJQMYEOJFLVYMK-HNNXBMFYSA-N 446.020 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC[C@H](C)C1 1740930336 RPTOOOAUTHVLPT-PMACEKPBSA-N 446.599 4.851 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CCSC 1744872437 FVFVLAQNUBLHTF-SIKLNZKXSA-N 440.661 4.659 30 10 IJEE CCN(CCc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 1746302538 DFCLETOPADVIDR-UHFFFAOYSA-N 449.605 4.969 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)C1 1748468578 AIRBRIWAVGWUDF-OZXSUGGESA-N 444.583 4.657 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nc(C(C)(C)C)cs1 1748689898 JRVFZFXCVRVICF-SQGPQFPESA-N 443.661 4.651 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(CC)CCC1CC1 1749028656 FSRUDWJLNIVYFP-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@]1(C)CCCS1 1749078917 SXYJDJDWOQZSHM-RPWUZVMVSA-N 440.613 4.534 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1749107031 NQGCPNKKEJQNJW-UHFFFAOYSA-N 448.365 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC1(C)C 1749121939 QSDDBWUEIBCPJU-MJGOQNOKSA-N 432.515 4.907 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(C)ccc2OC(F)F)CC1 1749299653 UJOFTQJWNUCSOL-UHFFFAOYSA-N 425.483 4.763 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2Cc2ncccc2C)CC1 1749335798 UJKLXNZKHXWEHP-UHFFFAOYSA-N 438.373 4.862 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCSC1(C)C 1749537886 PIDNRXJNUPOZNN-LEWJYISDSA-N 426.630 4.896 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCC1CC(OC(C)(C)C)C1 1749538479 JZZYVMPKSGLGDX-UHFFFAOYSA-N 446.599 4.912 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 1749553636 JSOYSKNSTLJWOV-IBGZPJMESA-N 428.989 4.955 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749763951 ODHNKILZPUSOHG-ZCNNSNEGSA-N 442.629 4.800 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)C(C)(C)C 1750252354 GVJBHFUIQVNKNM-HSALFYBXSA-N 439.629 4.599 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](C)C2)CC1 1752066640 FTUUXPRUIHAVKA-NZQKXSOJSA-N 434.632 4.810 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)c1c(C)noc1C 1760198707 NTDWCRHAZLRXIG-CQSZACIVSA-N 442.350 4.733 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(C)CCCS1 1760209597 GHFLDDVDALVNIF-OAQYLSRUSA-N 431.030 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@H]1CCCCO1 1760289754 SMAOPWSKHFLHPA-XLNZFTOWSA-N 426.536 4.509 30 10 IJEE C=C(Br)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccccc1F 1760313461 AUCGZKZVQLNQHT-AWEZNQCLSA-N 439.239 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C 1760324455 KLECVPVGUKFOMF-LAUBAEHRSA-N 432.996 4.974 30 10 IJEE C=C(C)COCCn1c(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)nnc1C(C)(C)C 1760361617 OMYIRJCHLIEENQ-VXKWHMMOSA-N 426.605 4.772 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN(CCOCC)[C@@H](CC)C1)c1ccccc1 1760363154 GGNULWFDWXLZPG-QHCPKHFHSA-N 439.648 4.517 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1 1760378226 CJFJPNCEAOLPMT-HXUWFJFHSA-N 432.996 4.903 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCSC)CC1 1760389014 AFNFOQYUFIMXQT-UHFFFAOYSA-N 449.665 4.692 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1760416654 JNIHCTBKQWHFNL-OAQYLSRUSA-N 435.616 4.959 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(cccc2OC)C1 1760432496 NSUJMWHNSAXUPE-UHFFFAOYSA-N 442.361 4.573 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760433172 AUEUMKPOOOJULF-UHFFFAOYSA-N 449.559 4.549 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760446039 FBUGBOZCQIPOFF-GGAORHGYSA-N 438.616 4.841 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1nccs1 1760491321 BQYLBBPCVNEOMT-UHFFFAOYSA-N 444.402 4.894 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@H](F)C1 1760497809 SKAPIVOGGCLGNW-OTWHNJEPSA-N 433.572 4.667 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 1760530344 NXPVFHPKLINFGV-QFIPXVFZSA-N 447.583 4.737 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCS[C@H](C)[C@@H]2C)cc1 1760531555 SFNXKJSMJFCXQE-RBUKOAKNSA-N 426.630 4.954 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 1760566786 DNOMSZRPDZWNBR-UHFFFAOYSA-N 435.037 4.694 30 10 IJEE CC(C)(C)OCc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(C#N)CC2)c1 1760799739 HZLSBLPRWWGBIH-JOCHJYFZSA-N 437.588 4.623 30 10 IJEE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=S)Nc1ccccc1)CCC2 1772749521 BNMNXUHJBAXDDE-UHFFFAOYSA-N 448.548 4.876 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCc2ncc(-c3ccccc3)o2)nc2ccccc12 1859750134 MEENCCCEPIAOOA-UHFFFAOYSA-N 448.486 4.827 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861189507 CJHAZDCVGOPJNV-GMAHTHKFSA-N 447.639 4.799 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(OC)cc1OC 1861561585 QYERLPIYHXIOTD-XEPMYJLFSA-N 432.605 4.869 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC)c1 1862461270 BCMYUERYPBOEEC-FQEVSTJZSA-N 433.426 4.881 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OCC)c1 1862493465 QDCBDCDKMMNHGR-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(Cl)c2)c1 1862556641 BIDJYNKYPVOMQL-QFIPXVFZSA-N 432.907 4.743 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(N(C)C)cc1 1862640292 NGXIWJOQIDLONT-JOCHJYFZSA-N 440.515 4.669 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccccc1F)c1cccc2ccccc12 1862650085 NHFFPWIRQOTNMP-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE CN(C)c1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862797814 QYIJNPBLPDJCEZ-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE N#Cc1c(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)sc2c1CCCC2 1865919183 RUJKVLXRDFPSKJ-UHFFFAOYSA-N 434.517 4.501 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(C)C 1868788281 MZDJTROELIIPDL-QHCPKHFHSA-N 431.536 4.758 30 10 IJEE CCCCCCCCCCn1cc(C(=O)NCCc2ccc(OC)cc2)c(O)cc1=O 1870113344 AGGKCXOSAUWROF-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871215992 CQAYRKXEHFVCEY-UHFFFAOYSA-N 444.535 4.679 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)cc1OC 1871366952 UCUWBOVQSPTBQC-XGKZJJNESA-N 443.455 4.642 30 10 IJEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871379758 YUABZBGCCSGSPA-JJFYIABZSA-N 426.428 4.983 30 10 IJEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871401078 SWMJNXCDDVRDOE-GJUHEBOISA-N 431.282 4.784 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871459771 CHFPYAHTIPWBQD-MTJSOVHGSA-N 448.406 4.676 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872099816 SULMIZYPVXVXSX-VGOFRKELSA-N 432.561 4.618 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872150478 CRUOVOFGTSWSOQ-JOCHJYFZSA-N 427.570 4.518 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1872374176 GNDQCILYKXAKRE-IBGZPJMESA-N 442.915 4.602 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872411965 ZGSUFWMWNFVHHJ-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE CCc1sc(C2=C(N)N(c3ccc(C)c(C)c3)CC2=O)nc1-c1ccc(OC)c(OC)c1 1873530063 YTUXSZWBRWFAKL-UHFFFAOYSA-N 449.576 4.723 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NCCCOC)ncnc21 1873607438 KLIMONIBDFVRLL-UHFFFAOYSA-N 434.327 4.625 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873647231 SSHLKTKNIQSEIG-ROUUACIJSA-N 433.556 4.607 30 10 IJEE O=C1CN(Cc2ccco2)C(NC(=O)c2ccc(Cl)cc2)=C1c1nc2ccccc2s1 1873766040 LLRFDEXDGUMSBS-UHFFFAOYSA-N 449.919 4.726 30 10 IJEE COc1ccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SC)cc1OC 1874215002 QSLZHXFLVAJNMH-OEAKJJBVSA-N 446.960 4.564 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc[nH]1 1874289727 SXDSZVZFIDHDHF-AFUMVMLFSA-N 433.537 4.677 30 10 IJEE CCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2)cc1OCC 1874501441 HMFLIZWSPZUURL-BUVRLJJBSA-N 440.569 4.787 30 10 IJEE Fc1ccc(COc2cccc(/C=N/n3c(S)nnc3COCc3ccccc3)c2)cc1 1874562631 HWYFOJVTTMBWOJ-VULFUBBASA-N 448.523 4.884 30 10 IJEE O=C(CCOc1ccccc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874705944 IIVCWFPYBNZNLH-PKNBQFBNSA-N 430.456 4.728 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1ccc(F)cc1F 1875120922 QAAMMACDDLIOTI-SXQCNTSWSA-N 437.236 4.708 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)C[C@@H](C)C1)n2CCOC 1875226346 ZXLZAQYNJJZJQW-WOJBJXKFSA-N 443.636 4.968 30 10 IJEE C=CCn1c(C(=O)N(CCCC)CCCCCC)cc2c(NCCCOC)ncnc21 1875228579 UVJLYDHHUWXOAF-UHFFFAOYSA-N 429.609 4.888 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1c(Br)cccc1Br 1922057885 QPMPHCZEMGAUKF-SFHVURJKSA-N 440.131 4.587 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1962793690 CAEXNEFOPSSOTK-FUHWJXTLSA-N 437.378 4.812 30 10 IJEE C[C@H]1CN(c2cc(Br)cc(C#N)c2)C[C@H](C)N1C(=O)OCc1ccccc1 2006297153 PTPBFLFSKKBNBR-HOTGVXAUSA-N 428.330 4.557 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)NCC 2012863564 SIILHYYRZJHBAO-YADHBBJMSA-N 432.605 4.542 30 10 IJEE COCCC1(Nc2cc(Br)cc(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 2162309966 ROEWOTQPMUOVCD-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNc2ccc(C#N)c(Br)c2)C1 2163252811 CYLHBULGWSKLPZ-TZMCWYRMSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(Br)cc2C#N)Cc2ccccc21 2174769280 YGJHOTBQEWAYIR-SFHVURJKSA-N 428.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCN2c2cc(Br)cc(F)c2C#N)CC1 2174812872 PVARRNAZECAOQW-UHFFFAOYSA-N 438.341 4.830 30 10 IJEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1cc(Br)c(C#N)cc1F 2174813552 XSHWXDZWOSWSIV-MLGOLLRUSA-N 440.357 4.978 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181143753 LRICSMFCJAJBEN-GOEBONIOSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCCC(C)(C)[C@H]1C#N 2184356738 XHTXUUXFIJCMDA-MRXNPFEDSA-N 436.350 4.950 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CC(=O)Nc1ccc(C#N)cc1Br)C1CCC1 2186783726 PRXFWPHGHROXFP-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(OC)c1 2192138520 APCAFAMYRNINJM-QGZVFWFLSA-N 440.382 4.601 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2235719924 GTZAXFKSVJFKLU-HZPDHXFCSA-N 449.311 4.624 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@H]1CCCN1C(=O)OC(C)(C)C 2235734467 WMSRSOAXVTWBRG-RBUKOAKNSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1CC 2235748084 WJONHLXCEROXPY-SFGWALBWSA-N 435.406 4.862 30 10 IJEE C#CC[C@@H](C[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237379311 CDEYUJBKTKZNFH-YSIASYRMSA-N 436.390 4.685 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(C)n2)CCCCN1C(=O)OC(C)(C)C 2272129865 ZTMRISSJALZWNY-IBGZPJMESA-N 426.355 4.662 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(OCCNc2c(Br)cccc2C#N)ccn1 2285180308 FRYSVQICMXYPAD-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296282853 ACTFQDKHAPTDHH-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2ccc(Br)cc2)c2ccccc21 2296290080 YUQIHQSYHINDDW-RTBURBONSA-N 427.342 4.667 30 10 IJEE C=CCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OCC)cc1OC 2296374261 KPGZVVWOJGLAQC-UHFFFAOYSA-N 433.504 4.836 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=C3Oc4cc(OC)ccc4C3=O)cc2OC)c1 2314527035 BMFKJSHMEHWXAO-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCCOc1ccccc1C=Nn1c(C)nnc1SCC(=O)Nc1cc(C)ccc1C 2321073262 LUMRQXIEEDYWBM-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2cccc3ccccc23)c(C)c1 2321199132 NOXSYRMMGWLRIN-UHFFFAOYSA-N 429.549 4.970 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1OC 2323378973 SJEQMWWCIORAGZ-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2325075906 LLVWBVPHQISHLU-HNNXBMFYSA-N 430.884 4.612 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2325117870 KXNXWYAIDYAQKN-UHFFFAOYSA-N 448.874 4.752 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OCC)c1 2327571142 LBYKWUZGGZBGOO-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccc(OC)c1O 2327771848 RSJIELXGYIOACM-UHFFFAOYSA-N 430.533 4.897 30 10 IJEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccnc2)c1 2329320533 HRNHUYBUDJJRPD-UHFFFAOYSA-N 433.512 4.704 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)COc1ccccc1 2330642705 JXDYNRSKYJNCJJ-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(F)c2)o1 2330840837 LTXGMZZEYYEGMW-UHFFFAOYSA-N 430.505 4.560 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc(C)c2)cc1 2330911284 HVIJWJUAOBIOCI-NRFANRHFSA-N 449.580 4.613 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1F 2331086500 XUZUGTCWVUPEAZ-UHFFFAOYSA-N 431.581 4.698 30 10 IJEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1O 2331294195 AKVUWJITMOLMPB-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)C3CC3)c([N+](=O)[O-])c2)cc1 2331307156 MELOKJGQHWHSOW-UHFFFAOYSA-N 439.464 4.994 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1cccc(Cl)c1)Nc1ccccc1F 2331485507 BGXJYXSLLOTRAU-UHFFFAOYSA-N 443.935 4.951 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(=O)C1CC1 2331564945 LROIIFPKUUQRDL-UHFFFAOYSA-N 437.236 4.947 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccccn1 2331660266 FXKFLMBLSCKRKT-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cnccn1 2331669759 OVWOTVPESQVNLZ-UHFFFAOYSA-N 432.476 4.616 30 10 IJEE Cc1ccc(CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)cc1Br 2364854970 TXIDCVQSMMOSIO-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE C#CC[C@@H](C)C[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703334 BQOJQNIURBTJJG-MWLCHTKSSA-N 426.703 4.588 30 10 IJEE C=C[C@@H](C)CCN(C)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2378199977 YPVQKTIVHZCPRD-YMTOWFKASA-N 425.186 4.717 30 10 IJEE O=C1CCCC2=C1[C@H](c1cccs1)c1c([nH]c(SCc3ccccc3F)nc1=O)N2 17177788 OXZGJQPBCXKQKY-SFHVURJKSA-N 439.537 4.827 30 10 IJEE Cc1c(Cl)cccc1N/C(=N\C(=O)c1cccnc1)NCCc1c[nH]c2ccccc12 32943310 DFHOHPBASVDBFK-UHFFFAOYSA-N 431.927 4.965 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)c1 41287453 WZYMWJIOFJFSBS-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c2cc(OC)ccc21 41589206 MGXPCDZWJJIVCZ-RMORIDSASA-N 430.504 4.909 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2C)n[nH]1)c1ccccc1 59020516 NPZOHISVGBBDKX-JLPGSUDCSA-N 428.949 4.724 30 10 IJEE CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(Cl)cc3)S2)c1 100248786 ZKMTWOQXJBBPPA-GOTYSUTNSA-N 431.945 4.719 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccc(Cl)cc1 100439829 FERMSYRMVBCJOY-LCPUNJGISA-N 434.835 4.875 30 10 IJEE COc1ccc(-c2nnc(S/C(=N\Nc3cccc(Cl)c3C)C(C)=O)n2C)cc1 102659911 QOUZVWOTFFEKRW-CLCOLTQESA-N 429.933 4.559 30 10 IJEE CN1/C(=C/C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)C(C)(C)c2ccccc21 103087250 LEMHZCHCZAHVIE-HZHRSRAPSA-N 444.487 4.569 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(C)nn(CC(C)C)c1C 109912138 OEMCXLKCWYBVNJ-UHFFFAOYSA-N 436.369 4.815 30 10 IJEE N#C[C@H](C(=O)c1csc(I)c1)c1ccc(Br)cc1 124130337 TZWYSLZQNBEDDK-NSHDSACASA-N 432.080 4.605 30 10 IJEE COc1c(Br)cc(Br)cc1/C=N\Nc1nc(C)c(C(C)=O)s1 169940273 POFMWQRSYHQZDC-FMQZQXMHSA-N 447.152 4.634 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1OC 170091818 BSHVPVHCPXBHQK-JOCHJYFZSA-N 445.427 4.826 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccn1 170176142 SNXKNTGSNOMMCC-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE COc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1Cl 170179791 GCTNVQGJJMYGON-UHFFFAOYSA-N 432.332 4.842 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1)c1c[nH]c2ccccc12 170188728 XAZFECZPWKJYRV-NRFANRHFSA-N 429.863 4.999 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccncc2)cc1C 170212633 VZLXQXTZALXZEV-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 170234601 ZKTOUKXFSNDBEF-HXUWFJFHSA-N 429.863 4.999 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F 170250475 DWRQXJYCRLRQBD-OAQYLSRUSA-N 435.451 4.823 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1C 170271867 SNRVZOIVHQYBJY-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccco1)c1ccc(Br)cc1 170281651 CJNMPTDWNNUMKB-SFHVURJKSA-N 442.240 4.964 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(O)cc2)cc1OCC 170448855 IJVLWVLDHUADAV-OAQYLSRUSA-N 439.508 4.705 30 10 IJEE CCOc1cc(/C=C\C(=O)c2ccc3c4c(cccc24)CC3)ccc1OCC(=O)N(C)C 206027283 ILWHUQFXIJWZFL-ZSOIEALJSA-N 429.516 4.700 30 10 IJEE CCCCCCCCCCCCCCCCS(=O)(=O)NN=c1cc(C)ncn1C 254391977 HXSJCGBTKQIGKM-UHFFFAOYSA-N 426.671 4.945 30 10 IJEE COc1ccc2[nH]cc(C3=CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)CC3)c2c1 301327961 ABKHBHMLTRQANZ-UHFFFAOYSA-N 425.448 4.798 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 473772570 LOPMLKQHNKXNEX-UHFFFAOYSA-N 430.545 4.714 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(F)cc4F)cc3)CC2)c(F)c1 482218166 YDTPNUBNAMJLAS-UHFFFAOYSA-N 437.421 4.730 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2cc(C)cn2)CC1 508802893 TWELWRCTAPNTLF-OAQYLSRUSA-N 434.588 4.642 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)ccc2C)cc1[N+](=O)[O-] 526818775 ZVYLWMZSVOPCRL-QRVIBDJDSA-N 439.541 4.939 30 10 IJEE CSc1nc(O)c(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N 537372541 KAMYOEQVJPWHNG-NVXWUHKLSA-N 435.471 4.808 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(Nc2ccc(OC)cc2)n1 553449065 BUSOQBPRFQMJSM-UHFFFAOYSA-N 425.558 4.891 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 559003616 DVIJBKDZVOSNJE-HSZRJFAPSA-N 429.524 4.589 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2)c1C 560766657 ZYKDFHLRELYGFX-UHFFFAOYSA-N 446.526 4.746 30 10 IJEE C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](NP(=O)(OCC)OCC)c1ccnc2ccccc12 575629754 JFCVDRVNJCMKJF-PNQHUFSXSA-N 429.501 4.943 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 576195748 RKOOCCOIRYITNN-MSOLQXFVSA-N 434.462 4.536 30 10 IJEE C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](NP(=O)(OCC)OCC)c1ccnc2ccccc12 642771835 JFCVDRVNJCMKJF-QNLWLWTNSA-N 429.501 4.943 30 10 IJEE C=CCC1([C@@H](O)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 722927733 OLNAOLBHVRGTMW-HNNXBMFYSA-N 430.770 4.819 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)c2)s1 739748585 CVGWXVRFDOTMID-FQEVSTJZSA-N 435.936 4.609 30 10 IJEE COc1cccc2[nH]cc(CCNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c12 778255412 VOYBXNLXLNBUCV-UHFFFAOYSA-N 427.464 4.600 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(OC(C)C)c(Cl)c3)ccc2c1=O 914859105 FGOLMVZFXSVVLB-UHFFFAOYSA-N 429.929 4.564 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CCCN(c3ccc(C)cc3)CC2)c1=S 917486303 WTIRMGPYIIHOPC-UHFFFAOYSA-N 437.588 4.884 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1cccc(F)c1 1084644843 DFMPUMVIBPTJRU-HNNXBMFYSA-N 426.300 4.723 30 10 IJEE COC(=O)c1c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)sc2c1CCC2 1124394837 GZKKWKAYJKMHNG-UHFFFAOYSA-N 432.501 4.726 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Br)c(F)c1C 1124533807 GBYBGCULCWLCKP-UHFFFAOYSA-N 437.261 4.640 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1124756160 HWYVKIQLLKDVBA-QHCPKHFHSA-N 433.533 4.538 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(OCc4ccccc4C)c3)cc2C1=O 1125975488 LQWHJEUMEUTUKK-UHFFFAOYSA-N 426.472 4.608 30 10 IJEE C#CCOc1ccc(NC(=O)c2cc(I)c(Cl)cc2Cl)cc1 1126060980 YBMFPLMXDFIUJS-UHFFFAOYSA-N 446.071 4.862 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCn2ccc3cc(Cl)ccc32)CC1 1139787891 FFDINLCQQAXWIX-JOCHJYFZSA-N 441.362 4.747 30 10 IJEE C#C[C@H](NC(=O)c1c(-n2cccc2)sc2c1CCC2)c1ccc(Br)cc1 1141461575 YVZKMDDLZISYFV-KRWDZBQOSA-N 425.351 4.894 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1141966690 IFJLCSQEAUGBSY-QHCPKHFHSA-N 447.535 4.577 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 1159439580 BCUZFBYOQINHAE-MRXNPFEDSA-N 449.502 4.619 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCc3cc(F)ccc32)cc1 1167755191 FYNQERZISJUGCD-UHFFFAOYSA-N 432.499 4.505 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3)C(=O)OC 1187947765 FOFMFQRBBYGATN-RHSMWYFYSA-N 440.590 4.782 30 10 IJEE C=CCN(CC1CCCCC1)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1190986474 YSGFCUKYYGKBAF-GOSISDBHSA-N 430.548 4.857 30 10 IJEE C#CC1(NC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCCC1 1200569603 BFGQLAOIASVBLB-UHFFFAOYSA-N 429.442 4.703 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 1201297468 HDSIBECCRQFMDP-JLTOFOAXSA-N 436.405 4.850 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN([C@H](CC)c3ccc(F)cc3F)CC2)cc1 1209621539 UKRKKTOYZZTAGP-HSZRJFAPSA-N 434.552 4.541 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)(C)C 1222359763 XUJBETMTQCVSKO-IFMALSPDSA-N 441.666 4.917 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC 1264785337 BLTSUOQYBLTORB-UHFFFAOYSA-N 426.476 4.616 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)CCCc3ccc(Br)cc3)CC2)nc1 1266351145 CCDFWRUTGBDYBL-UHFFFAOYSA-N 442.357 4.545 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(C#N)c2)[C@H](c2ccccc2Cl)C1 1270242177 GEVHIVCNFOWZMS-SFHVURJKSA-N 431.945 4.707 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC[C@@H](C)C1 1286301496 LUXHYYURJIAAJT-IKGGRYGDSA-N 431.378 4.514 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCC(F)(F)C1 1286453933 XJRKKVITRREOAZ-LJQANCHMSA-N 446.542 4.931 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286498442 IFRIDMUIPDLKHG-IFMALSPDSA-N 438.641 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC 1286555538 YGJNHVVGIRWBCL-KSSFIOAISA-N 437.357 4.674 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1286770687 IRGCWVBURHFYPM-MRXNPFEDSA-N 440.544 4.904 30 10 IJEE N#Cc1ccc2nc(NC(=O)Cc3csc(-c4cccc(Br)c4)n3)[nH]c2c1 1287394346 DLNBPQOHWNHXQB-UHFFFAOYSA-N 438.310 4.502 30 10 IJEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1290117958 FXIKNNSUJFRFOH-FPGHNAPASA-N 425.552 4.537 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1-n1nc(C)cc1C 1291531574 FBIWOXSAQZBGGG-BVZFJXPGSA-N 431.588 4.773 30 10 IJEE CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C(C)C)cs1 1295692261 HNHXEYBOHIDOGQ-UHFFFAOYSA-N 436.585 4.593 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1300416152 ALJNDRWHFZBSFM-ISKFKSNPSA-N 434.609 4.948 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1300422288 JSNRSTYDEYEQQH-UXHICEINSA-N 430.980 4.564 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCCC1(F)F 1300655418 XELYGBHORLXCQD-OAHLLOKOSA-N 440.897 4.649 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(Cl)s1 1300656541 IVWQMHFZHYHCJU-UHFFFAOYSA-N 426.929 4.541 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1cccs1)C(C)C 1300743312 MGGHUFBKXADHOB-UHFFFAOYSA-N 441.582 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1300876632 UTIRABAPGOYOGV-SBHAEUEKSA-N 430.618 4.630 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCCC2(C)C)CC1 1301071152 YGRKORCSQBVRHC-JOCHJYFZSA-N 445.405 4.805 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)c1ccc(Cl)cc1 1301309614 GUCVDAZDRKDKRK-HSALFYBXSA-N 432.996 4.860 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H](SC)C(C)(C)C 1301411336 XVJGJOGBKLMVQJ-QUCCMNQESA-N 432.634 4.778 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCc2c(ccnc2O)C1 1301432763 BWRSCBHOAFWQOW-INIZCTEOSA-N 439.947 4.538 30 10 IJEE C=C(C)[C@@H](NCc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1308377100 UYIDKVYKSQGSIQ-LAUBAEHRSA-N 447.530 4.535 30 10 IJEE C#CCOc1cccc(Cl)c1CNCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1308490602 OCSBZPVEHTZYBP-FQEVSTJZSA-N 442.987 4.968 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C)(C)[C@@H](c3ccccc3)C2)cc1 1310131013 JMSSJCXFBXSYHQ-JOCHJYFZSA-N 441.597 4.541 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1C#N 1310458085 BSWDWNJJNCVGTA-SFHVURJKSA-N 449.555 4.680 30 10 IJEE C=CCCC[C@H](NC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)c1ccccc1 1311723681 VBGXGYROYKXNDR-BKSPAHHJSA-N 449.595 4.833 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1312936241 HJEHKUUDZZTACB-OALUTQOASA-N 435.749 4.806 30 10 IJEE CC(C)(NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 1312944124 ADKGNDOJFVWXCH-UHFFFAOYSA-N 444.501 4.776 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 1353183061 BODDFDBCOWRPTR-HNNXBMFYSA-N 438.480 4.862 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1Cc1cc(C(CC)CC)no1 1358895300 GWNPPOMPMZFCEE-GOSISDBHSA-N 430.556 4.679 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C2CCCC2)CC1 1358921308 UUGKCIUBPFVONR-HSZRJFAPSA-N 449.643 4.903 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1ccc(F)c(F)c1 1358942339 RJJMFDMFDFNKMY-UHFFFAOYSA-N 442.535 4.702 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCCC1 1359001214 OHMXQNNSXZXVSA-QFIPXVFZSA-N 437.632 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1359099681 RLDVHOGIACSHJH-PFATUAPWSA-N 437.632 4.563 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)C[C@H]1CC 1359104250 ZLQOCQAVRZUDQP-XSARVHFWSA-N 438.616 4.678 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)CN2CCCC2)CC1 1359159888 HLWCZPXRIWKWJC-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(F)cc2)CC1 1359160861 HDQCNYPFKFTDIF-UHFFFAOYSA-N 430.325 4.574 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359187468 NXVRNJSKEFLRGL-FQEVSTJZSA-N 436.604 4.706 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCC(C)CC1 1359201602 SWQQCWLDLUCUAF-UHFFFAOYSA-N 444.649 4.609 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCC1CCOCC1)C1CC1 1359249020 LETAQKQLRBVQSM-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)F)c1 1359262745 CRSPJMNOQJLIKU-UHFFFAOYSA-N 440.523 4.919 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1c(C)noc1C 1359267624 MRUAAGNGADGBDD-CYBMUJFWSA-N 445.365 4.623 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCc2cccc(C)n2)C1 1359312889 CEQXHMACZBKRFF-ZEQRLZLVSA-N 431.584 4.547 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC(C)=C(Br)C1 1359340636 TWALWGFTDVXEOP-UHFFFAOYSA-N 437.382 4.882 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC2(CCC2)C[C@@H]1CC 1359343921 GFSJZCDMKWLUQU-FQEVSTJZSA-N 426.630 4.956 30 10 IJEE C=CCC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1N)c1ccc(C(F)(F)F)cc1 1446566484 JMHQMLSFCBEGHX-HXUWFJFHSA-N 428.458 4.970 30 10 IJEE C#CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@@H]1CCOc2ccc(Br)cc21 1456446264 KBNCQFCTZGAPHN-HXUWFJFHSA-N 439.284 4.736 30 10 IJEE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)C1 1460566247 CHKXFXKZHQYVRI-HNNXBMFYSA-N 445.610 4.590 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 1464945384 DBZYNNFAOXWNQO-HXUWFJFHSA-N 439.556 4.766 30 10 IJEE N#Cc1ccc(OCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc1Br 1467260545 DHWDSCQXCLNUCN-SJBKTWHCSA-N 439.353 4.884 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1)c1ccc(Cl)cc1F 1469363929 XFVARZYXPMWOMY-KPZWWZAWSA-N 430.842 4.711 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H]([C@@H]1CCOC1)C(F)(F)F 1472934915 QXJKKAORQHAVHJ-MLGOLLRUSA-N 433.883 4.756 30 10 IJEE CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1474985056 GWKIYEBLJZIRPM-ORAYPTAESA-N 434.970 4.789 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 1475930272 XORLYCPYHZPZDJ-WMLDXEAASA-N 425.476 4.855 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1507595953 ZTOKPEXNAGLMOT-SIKLNZKXSA-N 447.410 4.853 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1507596789 PLIXTUWLUMQSNX-AYWYSENESA-N 442.629 4.638 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1507795598 DTXLJXWYDDBZKK-WJFJTQNHSA-N 440.588 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1507814063 BKKVDJDKNCLDGX-UQBPGWFLSA-N 439.604 4.587 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1507860064 IGSVYQJGCABSNY-YJBOKZPZSA-N 427.763 4.726 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1CSC 1507860701 SVWCFWQTHFDTKP-CYBMUJFWSA-N 427.799 4.792 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1507879152 OUMLSDGMBYELOP-HSZRJFAPSA-N 426.948 4.872 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCN1CCCCC1 1508000719 ZCYDKQUHILTXMO-UHFFFAOYSA-N 432.616 4.561 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1nccs1 1508007392 AZDWYYVAFPSCKT-HKUYNNGSSA-N 441.576 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)Cc1cccs1 1508008756 SPMOXOLAFFXVRX-ROUUACIJSA-N 428.627 4.976 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1nccn1C(F)F 1508025788 RXPNWFFAMOTZPV-UHFFFAOYSA-N 428.531 4.742 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CC(F)(F)C1 1508036396 BLGOQJPLGYIKGP-OAHLLOKOSA-N 436.572 4.816 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCOC(C)(C)C1 1508151204 WEKINGWQPJFNTL-INIZCTEOSA-N 432.659 4.666 30 10 IJEE C#CC[C@@]1(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1521577591 AINUIMWEFHJKCN-NRFANRHFSA-N 425.356 4.745 30 10 IJEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1n1cccn1 1521748053 HNVWZQOIHQLNPK-MZYLBHOOSA-N 448.498 4.613 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 1522842834 HXXCCGDZWBGDSY-MGPUTAFESA-N 427.342 4.616 30 10 IJEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1Br 1525919990 CWFRBIWMPPEERJ-UHFFFAOYSA-N 438.256 4.964 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cc1 1536399351 SVQVENLBKGEZQV-LJQANCHMSA-N 445.416 4.828 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(C)(C)Oc1ccc(C#N)cc1 1536694442 JOEVIIMJTBEQHY-UHFFFAOYSA-N 431.305 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(c2ccccc2)CC1 1539034509 FIZIIZNXOYFHBB-FPOVZHCZSA-N 449.599 4.540 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCCCCC1 1539071958 HTJKSOOEORITLE-UHFFFAOYSA-N 443.636 4.967 30 10 IJEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OCCC(C)C)CC1 1539133773 KCEDSQDKUNOWPN-UHFFFAOYSA-N 433.600 4.795 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC=C)Cc1cccc(C#N)c1 1539142342 OHYWJBSTBIZOBR-DHIUTWEWSA-N 431.584 4.674 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1Cc1cccnc1OCCCC 1539540303 KNBIHIIACNRWPR-AREMUKBSSA-N 445.567 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H]1CCSC1 1539691190 NRPJNVYPFIXBHP-ZDUSSCGKSA-N 427.799 4.879 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCC(F)F)CC1 1539831595 KDIHJCZIPORVLH-UHFFFAOYSA-N 441.526 4.791 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1539900290 KAHPAEDQCUXXJL-IBGZPJMESA-N 448.546 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(C)C)C1 1539917444 VEWWMTUTHITCFJ-NRFANRHFSA-N 437.636 4.537 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)c1ccccc1 1539949269 WPMCIDHPRZJPCT-GGAORHGYSA-N 448.615 4.987 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCC[C@H]1C)C1CC1 1540102080 SAXUUIIIUCDLFF-SZNDQCEHSA-N 449.368 4.553 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCO[C@@H](C)C1 1540153970 OMYOARSAJUDPBP-JKSUJKDBSA-N 449.368 4.840 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCC[C@H]1C 1540184602 GGKRDHIOWKEPBK-HOYKHHGWSA-N 440.975 4.978 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1544453979 BMESCUJTTIPGHK-XLIONFOSSA-N 431.964 4.910 30 10 IJEE CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1563990880 HTYIZULJVQHPAK-QGZVFWFLSA-N 426.561 4.791 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C)C(=O)NCCc1ccccc1)c1ccc(C(F)(F)F)cc1 1564406714 MDYJBDUSOKMRRO-UWJYYQICSA-N 447.501 4.759 30 10 IJEE C=CCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)CCOCC1 1565583777 XNURAXWPBNOHDK-UHFFFAOYSA-N 437.515 4.727 30 10 IJEE C#C[C@@H](NC(=O)CSCC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1583565390 HENLZWIDAGEFNH-QGZVFWFLSA-N 436.758 4.509 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccc(Cl)cc1F 1583585090 KSKOKODURJHRBA-LJQANCHMSA-N 436.899 4.893 30 10 IJEE CCCN(CCC)C(=O)c1cccc(C(=O)Nc2c(C)c(C#N)nn2-c2ccccc2)c1 1583840545 DHZQLXGKPOEVQQ-UHFFFAOYSA-N 429.524 4.567 30 10 IJEE C=CCN(C(=O)[C@@H](c1ccncc1)C1CCCCC1)[C@@H](Cc1ccccc1)C(=O)OCC 1585020189 HPAHEAXTMXSLTA-LOSJGSFVSA-N 434.580 4.935 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]1c1ccc(Br)cc1 1585415965 KABVCDVHFHCNCR-CVEARBPZSA-N 443.769 4.758 30 10 IJEE C=C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1ccccc1 1586194629 LQSQKAFWNZBZJY-DEOSSOPVSA-N 433.529 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@](C)(CC)O1 1587575595 YRBCGLMEVSHRBW-PXARDIRTSA-N 449.368 4.652 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(COC)CC1 1587719214 VUMVVSRFTIDJPB-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCc1nc(C)c(C)s1 1588550025 GHIACQVARBBQBZ-UHFFFAOYSA-N 439.604 4.962 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1589059588 HBLFXHCBVZOSLH-UHFFFAOYSA-N 440.457 4.623 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1593643130 PGSSNKLFYVKZNM-UHFFFAOYSA-N 439.604 4.589 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2CCC[C@@H]21 1593770147 XKMWWXKABYGORV-MOPGFXCFSA-N 428.602 4.551 30 10 IJEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1593858452 HVSQLUOQRZZMHN-HXUWFJFHSA-N 446.382 4.640 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1594202079 FGIKSVUDRHMBQZ-RXFWQSSRSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1594455344 OYZBLXHPOUAOIO-LJQANCHMSA-N 441.595 4.886 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(O)CCCCC1 1594992639 NGJNHDPWILHVSC-UHFFFAOYSA-N 432.996 4.569 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(CCC)C1)C1CC1 1595043958 ILPJIYZKSZFMCL-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@H]1C(C)C 1595134212 VJWJFIJZXSFGIW-DHLKQENFSA-N 449.574 4.657 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(F)cc2C(F)(F)F)C1 1595722785 NDXDWSUCLZJRJS-SFHVURJKSA-N 438.469 4.923 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N(C)Cc3cc(Br)ccc3OC)c2c1 1612160991 BTJNQPFIPICZKL-UHFFFAOYSA-N 442.313 4.531 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1612916413 AFCLEOMFLHYDOB-UBBRYJJRSA-N 439.629 4.598 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)C1 1617475222 BOSGVMNFKDXXGT-YZGWKJHDSA-N 427.643 4.680 30 10 IJEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@@H]1CCCc2ccccc21 1617567390 YZEIDLAECFNYKI-JOCHJYFZSA-N 447.535 4.616 30 10 IJEE N#Cc1c(NC(=O)CN2CCc3ccc(C(F)(F)F)cc3C2)sc2c1CCCCC2 1620488524 AVRXRQWLFQKHFV-UHFFFAOYSA-N 433.499 4.904 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 1621710858 MHMJMZSFHUIQIX-UHFFFAOYSA-N 442.487 4.732 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H](Oc4ccc(Cl)cc4)C3)n2)c(Cl)c1 1623279171 AJWYPPHVEJPYBH-QGZVFWFLSA-N 442.306 4.736 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(NS(=O)(=O)CC)c1)c1ccc(C(F)(F)F)cc1 1623621034 ZWDYYUGLRBRSNG-LJQANCHMSA-N 440.487 4.904 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc(OC)c1OC 1624531784 PVIVPLSMPPXKGT-UHFFFAOYSA-N 441.528 4.940 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 1624635164 DSVJFDQUICUNAL-UHFFFAOYSA-N 433.335 4.881 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(Br)cncc3s2)cc1 1624944615 KREVYJUFNDRDEM-UHFFFAOYSA-N 431.315 4.619 30 10 IJEE C#CCN(C(=O)Nc1cncc(Cl)c1C)[C@@H]1CCOc2ccc(Br)cc21 1625279542 ZIQFMNFEHSDJOI-QGZVFWFLSA-N 434.721 4.797 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1)c1ccccc1 1626480713 UMRJVIOIIXNOLQ-PTUXOGIPSA-N 442.600 4.657 30 10 IJEE C=CC(C)(C)CCCNC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 1633930184 VTWSKSUROFGHAA-UHFFFAOYSA-N 429.605 4.977 30 10 IJEE C=CCOc1ccccc1CN(CC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccc(C)c(C)c1 1644907686 AWTVTUZAABWJIR-JOCHJYFZSA-N 436.596 4.901 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN[C@H](CO)c3cccc(F)c3)c2C#N)C1 1645007564 CQZLEBOBNKQZDB-OXJNMPFZSA-N 443.588 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1649538380 CNRZXLFSVSZGPI-GMAHTHKFSA-N 432.572 4.614 30 10 IJEE C=CCn1c(SC2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(Cl)ccc2c1=O 1651555936 SCJLNIMCOLORQW-UHFFFAOYSA-N 435.977 4.728 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 1651591401 OIGGHLIGORKQSW-IBGZPJMESA-N 435.593 4.908 30 10 IJEE C=CCn1c(SCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc2sccc2c1=O 1651648472 SQCRKBMNCPBYLH-OAHLLOKOSA-N 435.615 4.773 30 10 IJEE C#C[C@H]1CCCCN1CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OCC 1656426080 HNJANZFILJNZTB-HNNXBMFYSA-N 430.957 4.671 30 10 IJEE CCc1ccccc1Oc1ccc(Cl)cc1CN1CCN(c2c(C#N)c(C)nn2C)CC1 1659488835 AYQWXBVDEKXBTK-UHFFFAOYSA-N 449.986 4.931 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(OC(C)C)nc1 1661963965 CGAGYKAXLKRAID-UHFFFAOYSA-N 439.512 4.584 30 10 IJEE CCOC(=O)c1c(NC(=O)N(Cc2cccs2)Cc2cccs2)c(C#N)cn1CC 1662775517 HHMLVOVHDSNDKZ-UHFFFAOYSA-N 442.566 4.914 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 1666357945 YUPPCXPUSMQOMG-MRXNPFEDSA-N 439.320 4.603 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1666799613 PTYVMTFCAVQEJP-YADHBBJMSA-N 448.629 4.748 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C(C)C)N1CCC(C)CC1 1670845474 PECLGZGFDCJNQH-LJQANCHMSA-N 438.410 4.892 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)c1 1672524244 PWGNMPILZDIZMD-UHFFFAOYSA-N 429.476 4.606 30 10 IJEE C#C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1672757235 KLFWKJOVXGNHAA-KRWDZBQOSA-N 429.705 4.784 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]21 1675008915 SCAUIVYJIJIWQQ-HMXCVIKNSA-N 427.342 4.807 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 1681266089 DPSNEIJHIDLMJC-IXDOHACOSA-N 445.423 4.665 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 1689892235 BBBHLFQZLBKYQL-PMACEKPBSA-N 443.636 4.678 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1690095456 QYEUKCVFFDQETK-SJLPKXTDSA-N 440.897 4.978 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccccc1C 1690243551 MHGMDNXYGIDBPC-LADGPHEKSA-N 431.584 4.965 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690275976 BFBHYZYPELSCLA-NRFANRHFSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1690317156 SXXIPBLYFQFHNH-QFIPXVFZSA-N 445.007 4.835 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(C)cs1 1690320107 JSYURKFFDOELQN-WOJBJXKFSA-N 432.634 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690424597 UDPABFHPHXZEEZ-UHFFFAOYSA-N 435.597 4.571 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H]1CCO[C@H]1C(C)C 1690580025 XVOZMUPRCKCQFV-OFNKIYASSA-N 437.613 4.579 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1690605724 VDDQCSLBXUFIPS-ZEQKJWHPSA-N 445.567 4.993 30 10 IJEE C=CCn1c(Cc2ccccc2OC)nnc1N(C)Cc1csc(Br)c1 1690644791 NWWNZAKAGKJMPL-UHFFFAOYSA-N 433.375 4.524 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CCS1 1692867357 FBFUVXHHPGGBKZ-GOSISDBHSA-N 431.556 4.974 30 10 IJEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1693676084 DXYIHBFKPUVXPX-HKUYNNGSSA-N 429.515 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@](C)(CC)O1 1705485543 KTULKQAJGBUFEP-NNPDTBDGSA-N 440.588 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCSC1(C)C 1705592658 PUSSZCFGCZLQOD-MRXNPFEDSA-N 430.980 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)[C@H](C)CC 1705669316 IZOIACODWWVBCS-IAIFEWERSA-N 431.584 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N[C@@H](C)CC 1705670665 DZFKKLKEQXSTHM-OYHNWAKOSA-N 448.398 4.549 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705683757 CJIIFYRABHBHAX-QGZVFWFLSA-N 447.333 4.534 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1Cc2cccc(Br)c2C1 1705789591 PVBMKOMSDRFQLB-UHFFFAOYSA-N 441.377 4.564 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(OC(C)C)cc2)n1 1707592708 BIPFCRKGRGYWAI-UHFFFAOYSA-N 430.556 4.614 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722328334 SVMLZBZCSCSAML-TZIWHRDSSA-N 442.007 4.550 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC[C@H]1C 1722374032 QDTPKFFPDQZYDR-OFNKIYASSA-N 425.580 4.862 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1722412177 FRMMJRJCTXWLBO-XMMPIXPASA-N 447.652 4.692 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC1CCC1)CC1CC1 1722523285 LTUWYHLRKGKYKK-UHFFFAOYSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1722583794 YQSYNYZPCLHHSG-UYAOXDASSA-N 428.552 4.604 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1740579483 STODCQBWWPEYHE-MOPGFXCFSA-N 431.625 4.509 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1740584401 GNQKDEYUAPCBNX-DEOSSOPVSA-N 447.627 4.605 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC1CCC(C(F)(F)F)CC1 1740652216 VHMDXCJYDKOZLA-UHFFFAOYSA-N 444.501 4.785 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)COC 1740727246 DUWIHYUYZIHAHC-OAQYLSRUSA-N 449.368 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)C1 1740753751 NQSYMESVHQQXIN-RFWXGWTQSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(c2ccnn2C)CC1 1740787205 COVOAGNSERAKFY-HSZRJFAPSA-N 448.615 4.530 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1740818818 VTTYMDGQOPKCGT-NJYVYQBISA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1740848272 GXVNUBBEGNAMOM-QGZVFWFLSA-N 444.576 4.568 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1740862022 ICBOKVGSINLVCY-SFHVURJKSA-N 430.618 4.893 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740863142 PUTJPGLQYQJBPL-HSZRJFAPSA-N 433.604 4.583 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(Cl)cc1 1740905361 UAOWGLXOFREYRW-IBGZPJMESA-N 445.995 4.868 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)C(C)C 1740927123 RHUKBRTVAOPLMA-FYYLOGMGSA-N 441.664 4.663 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)nc1 1740939469 XLBGCQLMGXEDSN-QGZVFWFLSA-N 437.613 4.522 30 10 IJEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2Br)C1 1744936003 FUXIFGRIZREWMB-AWEZNQCLSA-N 442.386 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@H]1C(C)C 1748652180 XMZPTCZQKOIJEV-KPLVRAHFSA-N 426.630 4.795 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1748702970 SHFWPNHCVMWWBY-NRFANRHFSA-N 430.600 4.774 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)C(F)(F)F 1748867140 ARCGOYGACHRAAY-INIZCTEOSA-N 436.453 4.609 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1748876684 PFLUXOKKLUTVJX-JOCHJYFZSA-N 436.987 4.943 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1COC 1748914021 DREQGIONZFRORV-SFHVURJKSA-N 434.609 4.786 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CC=CCC1 1749032644 OIVRDARESZAKCS-IBGZPJMESA-N 433.581 4.759 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1749046592 CCAQEHWDMTUZFF-GOSISDBHSA-N 445.032 4.893 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(C)ccc1F 1749129116 AYOZDZGVMJTRDF-COPCDDAFSA-N 428.552 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C)(C)CC1 1749140068 LNPOPUAJHJFIIZ-AVRDEDQJSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1749144178 STFGWGOXSAOIDO-PLXFJCCSSA-N 438.616 4.951 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1cc(Br)cs1 1749161808 GBWIKCSAADGPEY-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2cccc(Br)c2C1 1749430822 WXELIMRZZKNJGE-IBGZPJMESA-N 431.378 4.811 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1Cc1nccc(C(F)F)n1 1749541554 RYMSUNOWQWETQM-UHFFFAOYSA-N 430.478 4.683 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1C 1749541766 TVLINDVXAHXDIV-RDTXWAMCSA-N 444.352 4.959 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCC1(C)C 1749596322 VPXRFFXNQMLTOV-NRFANRHFSA-N 434.588 4.596 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1749762553 XZFLZZWTWZEFTC-FXAWDEMLSA-N 432.659 4.958 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@H](C)Cc2cccs2)c1 1760126535 BESJZMCPFMMGLR-RTBURBONSA-N 449.624 4.788 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CC)CCOCC1 1760330489 FJOGYAUHJDBPTC-UHFFFAOYSA-N 434.588 4.944 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)SC)CC1 1760398737 KQLBNNXPWHSJJE-LBPRGKRZSA-N 427.437 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1760410000 PLXQPYBDATVMNF-UHFFFAOYSA-N 444.583 4.805 30 10 IJEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1761089199 FZJMQSKIAUGCMX-IRLDBZIGSA-N 439.579 4.986 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C#N)CC2)o1 1765621740 BWKIHGVKNPIXIH-UHFFFAOYSA-N 448.571 4.511 30 10 IJEE N#Cc1ccccc1NC(=O)c1nn(CCO)c(-c2cc(Cl)ccc2Cl)c1Cl 1859391105 PSXAXXRVEJDTMY-UHFFFAOYSA-N 435.698 4.627 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2ccc3ncccc3c2)nc2c(C)cccc12 1859490671 ZVLBIPLBPNBSML-UHFFFAOYSA-N 432.487 4.638 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)cc1 1860862509 HMKVAZBNFVWGIZ-HSZRJFAPSA-N 438.531 4.661 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432953 QRIIRQRTJTUFDV-OAQYLSRUSA-N 438.911 4.562 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862451782 NGLRWBXCWICPPZ-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2C(=O)O)cc1 1862477599 NTHDYSVTSUCNAJ-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862579747 TXEAFLFZHXPPMX-SFHVURJKSA-N 436.291 4.609 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1O 1862594085 PIGFGOZGZINFBB-QHCPKHFHSA-N 449.503 4.575 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1F 1862663114 PIXVBYZBJAHMGG-JOCHJYFZSA-N 425.500 4.952 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 1862673591 FOAUPJJSAHJGFO-IQMFZBJNSA-N 447.462 4.879 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862687441 KUOPBKWABDVEQI-XMMPIXPASA-N 443.499 4.661 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2F)c1 1862703342 UTAVHSFGJRHJPY-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccccc1F 1864080543 ZGUGNYLHVIQQHB-HXUWFJFHSA-N 442.579 4.776 30 10 IJEE CC(C)(NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866762433 IFMYCJUCBGLEMN-QHCPKHFHSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C\c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1 1870001585 KPKMANXBINFLFF-NVNXTCNLSA-N 449.942 4.760 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871382238 QALCOGSGUBQMDS-VIBAAIGISA-N 430.412 4.610 30 10 IJEE CCOC(COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)OCC 1871416297 VHOZHKVICMLZKV-ODLFYWEKSA-N 433.298 4.843 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCc4nc(O)c5ccccc5n4)cc(C)c3C2=O)cc1 1871430405 JFYCVFMEVQAUNU-UUYOSTAYSA-N 440.455 4.848 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)c1 1871441678 HYDZLZXJMZRNCK-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCc4ccc(OC)cc4)ccc3C2=O)cc1 1871448672 VKWMWRQJYVTEMV-IWIPYMOSSA-N 430.456 4.720 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871844842 LVYKQMKBOQUQHW-JOCHJYFZSA-N 430.570 4.814 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871888815 FJMHTKPYYOPXLN-QHCPKHFHSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872002522 BBPPMHLNYJXTCQ-GHTZIAJQSA-N 434.627 4.985 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 1872269480 ITHDYRICYPGHKB-INIZCTEOSA-N 430.954 4.525 30 10 IJEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872762953 APHJQRNMNQSUHF-LJQANCHMSA-N 437.477 4.762 30 10 IJEE C=CCNC(=O)c1ccc(Cn2c(Cc3ccc(OC)cc3OC)nc3ccccc32)cc1 1873508681 QMLNXOMWURSFFO-UHFFFAOYSA-N 441.531 4.608 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)cc1OC 1874236878 FGZJPZNKCPMVFS-MFKUBSTISA-N 448.548 4.962 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2/N=C/c2ccc[nH]2)CC1 1874285429 GCMLQVODOMDTKE-MFKUBSTISA-N 430.622 4.571 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(C)c1 1874364270 URDLIJVCCGXWSS-PCLIKHOPSA-N 436.581 4.608 30 10 IJEE CCCSc1nnc(CC2CCCCC2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874409438 XITMNNMKHLIRRS-HZHRSRAPSA-N 432.590 4.811 30 10 IJEE CCCCc1nnc(SCC(=O)N(CC)CC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874475507 DNDWORXAYMRECR-WSDLNYQXSA-N 442.416 4.770 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1cccc(C)c1 1874477687 IFQIADKUGCQDCR-OEAKJJBVSA-N 426.542 4.873 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1Cl 1874609912 QYLJURGZNFUGGK-SOFGYWHQSA-N 436.733 4.904 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 1874619170 MRZYKJDRCIVKFC-LSSBLYJVSA-N 445.515 4.856 30 10 IJEE COc1ccccc1OCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccccc2)cc1OC 1875128440 YZDWOGGYCCYIAZ-BUHFOSPRSA-N 448.471 4.593 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2cc(Cl)cc(Cl)c2)c1 1891211173 VNSQLVRXGBDUSG-UHFFFAOYSA-N 433.379 4.971 30 10 IJEE C=C(C)CNc1cc(Br)c(I)c(Br)c1 1931651046 PTPWUINMMBDFQB-UHFFFAOYSA-N 430.909 4.804 30 10 IJEE CCCN[C@H](CC#CC(C)(C)C)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1947469888 MUBSQPPAMBKBDY-HSZRJFAPSA-N 429.649 4.821 30 10 IJEE CC(C)(C(=O)O)C(F)(F)[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 1952996569 OIKKDAPYWOZBQU-SFHVURJKSA-N 435.492 4.570 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CO1 2052552401 RZGCAFAVRVQPAF-IBGZPJMESA-N 442.796 4.608 30 10 IJEE CC(C)Oc1ccc([C@H](C)n2nc(C(F)F)c(C#N)c2I)cc1 2080068532 DNVKAYAKDHPWKS-JTQLQIEISA-N 431.224 4.693 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(F)c1 2080077121 ABINMZLBPGRVPY-ZDUSSCGKSA-N 436.203 4.620 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)cc(F)c2C#N)C1(C)C 2107449494 JGOXYDBXHJNAGT-LBPRGKRZSA-N 426.330 4.907 30 10 IJEE N#C[C@@]1(Nc2ccccc2Br)CN(Cc2ccccc2)C2(CCOCC2)C1 2156318083 HWHRGTVRNXJPJN-OAQYLSRUSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(C#N)c(Br)c3F)C[C@@H]2C1 2206330391 PJBFXSAKLIYCLM-SOUVJXGZSA-N 438.341 4.589 30 10 IJEE CCN[C@H](C#Cc1cccc(Cl)c1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216978241 WTMGXFOAZYZZKO-DHIUTWEWSA-N 442.987 4.780 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1CC1CC1 2233308742 WOOVOGMHUZPJMY-QAPCUYQASA-N 441.414 4.566 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@H](N)C#Cc2ccccc2Br)CC1 2235721833 JHFLMFHRDRESDC-ZHALLVOQSA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2235725358 NLHSCDYPEXOTAO-UHOSZYNNSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)C#Cc2ccccc2Br)cc1 2235727859 LWVLYIXJNKQTAA-UHFFFAOYSA-N 428.326 4.751 30 10 IJEE COc1cccc(C#C[C@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1 2237731613 GYOWGVRLZNYNDU-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1CC#N 2243925484 WQBPOYPGBVSLCZ-DFBJGRDBSA-N 445.563 4.844 30 10 IJEE C[C@H](NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 2255817569 XOFWEIQERWNFAV-HNNXBMFYSA-N 430.354 4.837 30 10 IJEE CN(Cc1ccccc1I)c1ccc(C#N)cc1Br 2265529017 GJDBAHHHWQDHPV-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE C=CCCC1([C@@H](N)Cc2cc(F)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266315799 QUJAJDHIGAYVHF-KRWDZBQOSA-N 427.358 4.661 30 10 IJEE C=CCN(CC[C@@H](NCC)c1ccc(Br)c(OC)c1)C(=O)OC(C)(C)C 2266763929 GNORAPVNBRMYEV-QGZVFWFLSA-N 427.383 4.922 30 10 IJEE CN(Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2267123824 XJKUCMVSHMBFDY-IYARVYRRSA-N 444.381 4.864 30 10 IJEE C=CC[C@]1(COc2cc(C)c(N)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2272231783 JBKVSBDOZIWUJF-FQEVSTJZSA-N 425.367 4.922 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(CCC)n2)CCN(C(=O)OC(C)(C)C)C1 2287690726 NGUPZWWYNVITBV-FQEVSTJZSA-N 440.382 4.774 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2296217825 YHQOABYPMFYDLR-PKOBYXMFSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296220160 VMLQHTLOXMURBX-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](N)(C#Cc2cccc(Br)c2)C(F)(F)CC1 2296284952 WUKONPJRXDSKCR-LJQANCHMSA-N 443.332 4.554 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C1(CCNC(=O)OC(C)(C)C)CCCC1 2296306713 LALREPMFEVYBCZ-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CC(C)Oc1ccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297056461 FTXDFROJDUZKRH-QHCPKHFHSA-N 446.478 4.630 30 10 IJEE CC[C@H](C)[C@@H]1C(=O)C(=C(O)[C@H]2[C@@H]([C@@]3(C)O[C@H]3C)C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@H]32)C(=O)N1C 2297748856 NPWKEUKXVOMELT-IULGVOKRSA-N 429.601 4.532 30 10 IJEE CCCN[C@@H](C#CCSC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2299620972 FPEMRINRPLPJDM-WIOPSUGQSA-N 446.657 4.565 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2305398640 YCCZNQMGHRKCJT-VWLOTQADSA-N 428.573 4.842 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2306619508 DMICNEKONZUGJY-NIJXNBFTSA-N 428.573 4.555 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)c1 2322659482 CSEMGGCKGRXTMT-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Br)ccc1OCCO 2322922796 AYDAWUSKWWYMCB-UHFFFAOYSA-N 425.706 4.687 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323076278 ZEMVENGWDHUUHH-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)C=Cc4ccco4)c3C)C2=O)c1 2323163467 LLHAPOATDOGKOR-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)COc3ccc(C)cc3)cc(C)c2C1=O 2323194076 YYPXTKHIOVSQES-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE Cc1cc(OC(=O)c2cnccn2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2323203304 SFSVJEDMLIYTNI-UHFFFAOYSA-N 427.243 4.927 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 2323653252 XHIGQDKCXNWGBO-UHFFFAOYSA-N 448.269 4.585 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 2324014394 MRZYKJDRCIVKFC-LJQANCHMSA-N 445.515 4.856 30 10 IJEE COC(=O)COc1c(OC)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2324281256 IQXIZJWNRWNCRH-UHFFFAOYSA-N 448.471 4.944 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)cc1 2325719413 XKFZOMQGMAGNDG-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(C)cc(C)c3)ccc2C1=O 2325721346 LFYAWXDEAPVUBG-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] 2325722706 JRBVGQANUDUAIH-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc(Cl)c1O 2326269252 NJTKRRYLMYLZLD-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1cc(C)ccc1O 2326477396 BPQQYJBQSTZPIQ-UHFFFAOYSA-N 438.553 4.820 30 10 IJEE N#Cc1ccc(NC(=O)CCCCCNC(=O)C=Cc2ccc(Br)cc2)cc1 2328706990 DOPPALQPHPZTTM-UHFFFAOYSA-N 440.341 4.649 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2330367163 ANSLQDAGVNLPAO-IBGZPJMESA-N 438.955 4.638 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3F)c(OC)c2)c1 2330777922 LQBHVNMTCLVQSZ-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCCC)c(OCC)c1 2330952080 ACPYDAAYAGQNDK-LJQANCHMSA-N 430.574 4.868 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)c1 2331046937 FXLJIILDHVIHAB-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331097029 ZILZPXMWMQLHOU-IBGZPJMESA-N 436.838 4.997 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccnc2)c(C)c1 2331100617 IABZHJCPMIMNHU-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE CCCOC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(Cl)cc1Cl 2331164287 WLCNGEOCPQEGER-UHFFFAOYSA-N 441.262 4.531 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)c1OC 2331208229 YVPAYDZXGGTRTR-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)cc2)c(OC)cc1Cl 2331687239 AFPISOYZCDBBGB-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccc1Cl 2331706966 WSJZHCPNRKRWHH-UHFFFAOYSA-N 438.944 4.878 30 10 IJEE CC(C)(C)OC(=O)NCCC1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339585983 XJTRBTWVMBWXIC-UHFFFAOYSA-N 444.381 4.800 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@](C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339588021 BOLCNJPJFJYTDM-UUOWRZLLSA-N 444.381 4.941 30 10 IJEE N#Cc1ccc(NCc2ccc(I)c(Br)c2)cc1F 2349834896 HWKSRMSEZVJJLT-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2360194851 SNXFMHKHIXGHFK-FFGOWVMKSA-N 434.374 4.730 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NCc2ccc(Br)cc2F)OC1(C)C 2364914349 RHJXOTGTWQROQO-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 21355867 DZZHUBUAHBYLFD-QHCPKHFHSA-N 437.515 4.798 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 34954429 ILDBOCWUUQFEGU-AWNIVKPZSA-N 433.416 4.727 30 10 IJEE N#Cc1ccc(C(=O)Nc2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)cc1 35088416 YVDCCTZVRZJKEV-UHFFFAOYSA-N 435.892 4.778 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 38592623 NEBMRSIZIMPARD-HYBUGGRVSA-N 445.515 4.699 30 10 IJEE C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1nc(-c2ccccc2)cs1 46549978 FEHSIFSHJXVWHL-GOSISDBHSA-N 437.590 4.943 30 10 IJEE CCn1c([C@@H](C#N)/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 58161752 VFXIYVXNFLBCQE-YEUWRSSNSA-N 434.546 4.603 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccc(Cl)c(Cl)c2Cl)nc1 97991979 FGTGXSIDKXONLN-JJFYIABZSA-N 449.791 4.908 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccccc1O 169942735 FUARCUBFVLWNEB-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1C 169983547 PANUAVQKLFKACO-OAQYLSRUSA-N 449.484 4.577 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 170071736 JEHVSLBKRLUJBM-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 170082638 ZCNMOSMPNAJLDV-HXUWFJFHSA-N 425.362 4.592 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccco2)cc1 170098533 RMCFYIVUERILGN-NRFANRHFSA-N 443.459 4.646 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1C 170102988 XRHZTOHWHSYJCL-HSZRJFAPSA-N 449.478 4.865 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2OC)cc1 170123468 AOPIACXSPARQMJ-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE Cc1ccc(-c2nc(C3=C(N)N(c4cccc(Br)c4)CC3=O)sc2C)cc1 170179383 HBPOZIXNHNTORA-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)cc1 170191192 WBMAYTTYCBDZPB-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)c(C)c1 170227345 XFIIXYZUJCSGIT-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 170254316 CVZBGZSKMSVASN-QHCPKHFHSA-N 438.439 4.680 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c(OC)cccc3OC)[C@H]2c2ccco2)cc1 170283400 CQMWEUVWEOFZDB-JOCHJYFZSA-N 433.460 4.642 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1 170295943 AMCWSAAJHOLWFH-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)o1 170307343 YTAURXYYFPTXQQ-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170347300 WLWXNNVOQZARTH-HSZRJFAPSA-N 439.471 4.523 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(OC(C)C)c2)c1 170347626 JGAYWJWZEZJILN-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE Cc1c(C#N)c(N=CN(C)C)c(C(=O)c2ccc(Br)cc2)n1-c1ccccc1 252594549 BTMBOLBHLKUBQE-UHFFFAOYSA-N 435.325 4.872 30 10 IJEE Cc1ccc(NC(=O)c2c(N)n(N=Cc3ccc(F)cc3)c3nc4ccccc4nc23)cc1 254531881 BNUZRTVHUPGOQZ-UHFFFAOYSA-N 438.466 4.749 30 10 IJEE C=CCn1c(Sc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)nnc1C1CC1 301200574 PJDJMRZDJAVKGC-UHFFFAOYSA-N 444.351 4.904 30 10 IJEE C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508490857 DAFSJPVDDLSKQC-QGZVFWFLSA-N 426.952 4.599 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508936952 AUCYKOBAUVBEQL-INIZCTEOSA-N 444.486 4.623 30 10 IJEE C=CCn1c(CCC(C)C)nnc1N1CCC(N(CCC)C(=O)c2cccs2)CC1 508937454 XPBDFTLBEODBJF-UHFFFAOYSA-N 429.634 4.635 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 516243742 FNWHTXOYIXWRSB-UHFFFAOYSA-N 443.576 4.953 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)cc2OC)c1 526517551 UOJLSGJWGCRWJS-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1O 526606493 KYDMCOHJLCSWNG-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE N#Cc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(F)c(F)c2)C1=O 526660901 OVYGUTOAJHPGHM-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 549057344 STVODBSIXRFGSU-UHFFFAOYSA-N 436.390 4.706 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 555244769 RVHAPQTWTHHGFI-HNNXBMFYSA-N 442.545 4.620 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1Cl 733202423 RGGUTTUYAVSVKR-HXUWFJFHSA-N 439.968 4.940 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)c(C)c1 742212609 VQFQYLOJIWBXON-OAQYLSRUSA-N 437.540 4.816 30 10 IJEE C#CCN(C(=O)CC1CC(OC(C)(C)C)C1)[C@@H]1CCOc2ccc(Br)cc21 754551622 NLBCWRKPXBBJFV-GXOAENINSA-N 434.374 4.718 30 10 IJEE COc1ccc(CN[C@@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)cc1C#N 773082247 GPTWLNJGGXGCFZ-HNNXBMFYSA-N 437.565 4.791 30 10 IJEE CCOC(=O)c1c(NC(=O)CCN2CCC(C)(C#N)CC2)sc(C)c1-c1ccccc1 780334571 YECGHCVFTZOYTG-UHFFFAOYSA-N 439.581 4.855 30 10 IJEE C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 780744763 ZGZPAHKDRSOTDZ-UZLBHIALSA-N 426.923 4.881 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3nc(O)oc3c2)cc(Br)c1OC(F)F 794714278 IGJVUACDXJYIDT-GORDUTHDSA-N 440.196 4.802 30 10 IJEE N#CCC1(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)CC1 797563543 MTPPWURQGVMJNP-HXUWFJFHSA-N 431.458 4.644 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 799214005 CVQNKURVBFMYTK-INIZCTEOSA-N 441.862 4.738 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 800774936 GWDSQGUKIHGKMY-QGZVFWFLSA-N 439.585 4.606 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 809882094 RXGGQNANXSDFMP-IBGZPJMESA-N 431.540 4.589 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1)c1ccc(Cl)cc1 812913935 CEIGBOJIXOETMC-PKTZIBPZSA-N 426.944 4.568 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1124709230 BBADWXVJQMXIKP-DEOSSOPVSA-N 429.561 4.956 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1125637762 HFWFYUNUTCPNRK-OYHNWAKOSA-N 439.383 4.834 30 10 IJEE C#C[C@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Br)cc1 1129608413 FCRWQIICZGVYGS-HNNXBMFYSA-N 443.322 4.769 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1135946837 GXEFPUFTSJUJLK-UHFFFAOYSA-N 438.300 4.575 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 1142073465 IMNICFRAWFTGME-SZTYLXMGSA-N 448.604 4.909 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)C1CC1 1152396297 VRUKBCRHTLKIAT-UHFFFAOYSA-N 426.582 4.929 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccccc1 1158670674 WSYVZENHMDDGNH-HKBQPEDESA-N 440.565 4.766 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 1178974387 LOELFXQUPCUUMP-WMLDXEAASA-N 448.951 4.817 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](C3CC3)[C@H](CO)C3CC3)cc2Cl)c1 1199731168 BERWETHDRAKSAJ-OFNKIYASSA-N 439.943 4.709 30 10 IJEE N#Cc1ccc(C2=CCN(S(=O)(=O)c3ccc(OCc4ccccc4)c(F)c3)CC2)cc1 1211401400 CAFHDTWIQQWXIL-UHFFFAOYSA-N 448.519 4.754 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1216891643 OIUJVHLYFZREED-IAGOWNOFSA-N 441.494 4.972 30 10 IJEE C#CCN(C(=O)Nc1cc2c(cn1)CCCC2)[C@H]1CCOc2ccc(Br)cc21 1218728724 QDLYCFNTQSZGQZ-IBGZPJMESA-N 440.341 4.714 30 10 IJEE C#CCC1(NC(=O)NCc2ccccc2OCCCN(C)C2CCCC2)CCCCC1 1222676714 LQUZYNIXEKRZQE-UHFFFAOYSA-N 425.617 4.855 30 10 IJEE C=Cc1ccc(CCNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 1251314124 SRFYBYAPJUVNCX-ZIAGYGMSSA-N 442.350 4.685 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)cc1F 1252480352 WVUQNNACSZOLBZ-WGGBDISSSA-N 427.951 4.848 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)CCCc3ccc(Br)cc3)CC2)cc1 1271344098 XKOXBKMGTAIGIC-UHFFFAOYSA-N 427.342 4.713 30 10 IJEE CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1277201899 CATODHLPPIWUPS-NSHDSACASA-N 444.347 4.783 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccncc1Cl 1286279557 WDHXZBSQSPUVPZ-LSDHHAIUSA-N 430.339 4.626 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@@H](SC)C1 1286337900 YMLANZRGDPBCQC-GOSISDBHSA-N 433.419 4.843 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1286497119 NAYYRYCEMACJLZ-QGZVFWFLSA-N 441.551 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@@H]1C(=C)C 1286518593 HLTMEDZQIWSZSE-DKYNXLSCSA-N 438.547 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1286558852 RFWUYYWGEXEXPK-IMSXRSKXSA-N 426.580 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CC1(N(C)C)CCCCC1 1286584072 WMHYJMNDVGDYBD-UHFFFAOYSA-N 429.584 4.663 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(C)(C)O)CC1 1286665134 TWGIQFDBBASTRH-UHFFFAOYSA-N 447.023 4.815 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(=O)NC(C)(C)C 1286720564 XWBIWVPBOHLUME-UHFFFAOYSA-N 441.576 4.740 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CCOC)CCC1 1286720651 UQHQVCILHQDINP-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)CN1CCCCC1 1286730887 RBODZGZCVCXQJL-NRFANRHFSA-N 439.648 4.899 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1Cc1nnc(C(C)(C)C)s1 1286743662 OFEPTDWKKAJBSV-UHFFFAOYSA-N 447.612 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(C)COC1 1286747080 HDOKEYNEXOHMBD-QGZVFWFLSA-N 442.560 4.848 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H](SC)C(C)(C)C 1286747898 OXOWEOITXNXGMZ-GOSISDBHSA-N 430.647 4.710 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1286772942 WZAGXQQMHVLWPX-YOFSQIOKSA-N 437.588 4.806 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N(C)Cc1ccc(Br)s1 1286776610 MHXHTRUINBTAIM-UHFFFAOYSA-N 433.375 4.546 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1OC 1298754469 BADPSIGYXPSJRS-RJUIYYSISA-N 429.516 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC1CC(OC(C)(C)C)C1 1300317502 RYECSUJKPBXIOQ-JSOIOWGOSA-N 433.600 4.792 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCC[C@@H]21 1300362989 WAHPHRHKEFPTGJ-FPOVZHCZSA-N 441.620 4.575 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCSC 1300375986 DNEYJODDQDLQDK-MOPGFXCFSA-N 449.665 4.731 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1300770340 TVHIJAQUXBEYQQ-DZFGPLHGSA-N 445.032 4.892 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)C(C)C 1300875796 OLKZMOVJPIOLGL-LPHOPBHVSA-N 433.394 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)C/C(C)=C\c1ccccc1 1300884935 NAOVTINNKLLZDG-WQDCZOJDSA-N 436.600 4.693 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CCCC1 1300898111 WHKIEUWIVPQDCV-WMZHIEFXSA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1300944991 MOBRULBYDLLMIX-NRFANRHFSA-N 432.616 4.874 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301195090 UOYXUAMHMGEEDI-FQEVSTJZSA-N 431.625 4.670 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[C@H]21 1301601165 MZFQJNIOJXEGFS-CHWSQXEVSA-N 425.421 4.677 30 10 IJEE C=CCC[C@@H](C(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21)c1ccccc1 1302619320 CAQIURNLZYVUGZ-UYAOXDASSA-N 430.470 4.935 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1310796933 ABDUAGORGQLEIX-KDURUIRLSA-N 441.553 4.519 30 10 IJEE C=CCCC1(CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 1311547819 CQXFZRZNPXUJJB-UHFFFAOYSA-N 428.455 4.851 30 10 IJEE COC(=O)c1ccccc1CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1312478886 HYLWODPYAHCXQN-SFHVURJKSA-N 427.504 4.615 30 10 IJEE C=C(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 1350170022 ONIMXBXBVMHEOH-UHFFFAOYSA-N 433.618 4.536 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Cl)c(OCCC)c(OC)c1 1351585732 IXIMUOVMVBHSOQ-UHFFFAOYSA-N 448.899 4.880 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(OC)cc1)c1ccc2c(c1)OCCO2 1352836846 BWPURDOZSJPTAV-UHFFFAOYSA-N 431.488 4.878 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 1357232763 UEZSQWCJYOAUHM-AREMUKBSSA-N 435.568 4.667 30 10 IJEE C#CCCCCn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1358917582 VIZSEEPBSBGVOH-HOYKHHGWSA-N 446.542 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](CC)C1 1359093852 UAKFKUALQXWQGS-KPFFTGBYSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ncccc2F)CC1 1359187475 OGGGUSYHNLOWIL-UHFFFAOYSA-N 449.578 4.502 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 1359195001 FGRPOJSHCPHUJL-IBGZPJMESA-N 436.522 4.730 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1359207799 XVRSJUKHHXRKLQ-GOSISDBHSA-N 442.007 4.844 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)Cc1cccs1 1359258280 LPBAMBNJAKLOQF-LJQANCHMSA-N 432.597 4.812 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCc2ccc(F)cc2C1)C(C)C 1359264488 GPDDJCSTEQRFDR-HSZRJFAPSA-N 425.596 4.802 30 10 IJEE C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)Oc1ccc(Cl)cc1 1360548889 HTTSMIIIPFMOBQ-HXOBKFHXSA-N 436.947 4.591 30 10 IJEE COc1ccc(Br)cc1-c1nc(C(=O)N(C)c2cccc(C#N)c2)cs1 1434868344 HXWQEMDYNGMQLG-UHFFFAOYSA-N 428.311 4.729 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(OCC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1434944544 WIBJWDZBRFZPQH-FQEVSTJZSA-N 428.451 4.912 30 10 IJEE COc1ccccc1-c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(O)n1 1435810754 UETFVAVDHAQKNH-GOSISDBHSA-N 428.275 4.764 30 10 IJEE Cc1ccc(C2(CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCCC2)c(C)c1 1436537825 GRZGOMMVKNAJGQ-FQEVSTJZSA-N 449.982 4.810 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 1443629203 HHRWSXURCRYTJV-QZTJIDSGSA-N 436.524 4.572 30 10 IJEE CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1447470087 BZZUSCFESXEQTD-UHFFFAOYSA-N 445.544 4.899 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)c1 1451438092 GAKASCZGNMFKOM-UHFFFAOYSA-N 446.572 4.632 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N2CCN[C@H](c3ccc(F)cc3)C2)cc1Cl 1455440325 DYWCSOUMEOVJOP-NRFANRHFSA-N 435.886 4.930 30 10 IJEE CCN(C(=O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccccc1 1455828915 BQWHJUQAFVVEND-UHFFFAOYSA-N 429.545 4.633 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 1456314743 NFESTYVUKYHJBG-ZJSXRUAMSA-N 430.529 4.801 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@H](O)COc1ccc(SC)cc1 1459419044 NKGHCPDTORYFGJ-QGZVFWFLSA-N 440.378 4.738 30 10 IJEE N#Cc1ccc(N2CC[C@@H](N3CCC(COc4cc(Cl)cc(Cl)c4)CC3)C2=O)cc1 1459510896 DODIUDUKGHCSQQ-JOCHJYFZSA-N 444.362 4.761 30 10 IJEE C=CCCN(Cc1nc(Cc2cccc(Br)c2)no1)OCc1ccccc1 1459973839 PPHNOCNZNHHQSC-UHFFFAOYSA-N 428.330 4.933 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C(F)(F)F)cc1 1460040397 IQXIWAHICFHROG-OAHLLOKOSA-N 428.160 4.799 30 10 IJEE CCN(CCC#N)C(=O)CN(C)Cc1ccccc1Oc1ccc(Br)cc1F 1460799528 DNFDAEHZGYOFHQ-UHFFFAOYSA-N 448.336 4.574 30 10 IJEE C=CCC[C@H](NC(=O)CNC(=O)NCc1ccc(C)cc1)c1ccc(C(F)(F)F)cc1 1466281134 AZMLHYABKNATGB-FQEVSTJZSA-N 433.474 4.637 30 10 IJEE COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)c2ccc(C#N)c(C)c2)c1 1474980555 GBPNLPPHOMYPIV-RUZDIDTESA-N 434.561 4.754 30 10 IJEE Cc1ccc(CC2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)cc1 1478220007 FSPVEGVLHDGWFL-UHFFFAOYSA-N 432.568 4.616 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507547648 PEASUGCTWIPKOK-SRHPJPHMSA-N 444.664 4.884 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(C(C)(C)C)CC1 1507562356 KJHVUVIIDUNLEY-UHFFFAOYSA-N 430.600 4.607 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2C1 1507571416 AHVCABWGATUMGY-QFIPXVFZSA-N 449.599 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507671117 ZPGJRHKRHFIFMX-LEWJYISDSA-N 428.502 4.934 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)CC1 1507752999 HIFGUQDPBOZDCY-UHFFFAOYSA-N 442.938 4.667 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1nccnc1C 1507812070 IKLSANAUGMGNQO-SFHVURJKSA-N 440.979 4.815 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1507916524 AODLRPCHIUJZPI-UHFFFAOYSA-N 429.653 4.698 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2nc(C)cs2)CC1)c1ccccc1 1507923983 GUUJFKIDAOQLOZ-NRFANRHFSA-N 436.629 4.853 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(F)c2F)CC1 1507926849 KHXIKWKXDFOFHS-UHFFFAOYSA-N 427.499 4.808 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@H](CC)C1)c1ccccc1 1507930411 WWQNIRWXFHJLLU-AGILITTLSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1507934941 JNHJRQPKCDENST-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1C[C@H](C)O[C@@H](C)C1 1508025090 OUMQKCDBJPBHKY-AWRGLXIESA-N 438.616 4.611 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccsc1)N(C)C 1517123270 BVKCBLNAICKLDO-NRFANRHFSA-N 436.629 4.739 30 10 IJEE COc1cccc(CO[C@H](C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1521185323 IBDGNCURRQKDQS-QGZVFWFLSA-N 432.524 4.594 30 10 IJEE C#Cc1ccccc1CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1527965136 YAHAIHGIFDPGRV-DEOSSOPVSA-N 428.532 4.746 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2cnn(C)c2)ccc1F 1529485834 PSXKTVUHKWDFLZ-UHFFFAOYSA-N 446.295 4.956 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc(Cl)c(Cl)c1 1530230205 UIERQVQDMSAAMA-INIZCTEOSA-N 444.336 4.845 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](OC)C(=O)OC(C)(C)C)c1ccc(C)c(C)c1 1531214606 VSTVOPKWTHWKLG-QHCPKHFHSA-N 439.552 4.758 30 10 IJEE C=CC[C@]1(C(=O)NCCOc2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1534819824 IHAZKOCDBWJGPO-OAQYLSRUSA-N 443.371 4.834 30 10 IJEE C=CC[C@@]1(C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1536467582 ANTKODFIOIPCSU-WTYVLRPYSA-N 426.966 4.669 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC)[C@@H]1CCOc2ccc(Br)cc21 1538199465 UEDMTOJPIBXQME-NLWGTHIKSA-N 440.337 4.547 30 10 IJEE CC(=O)c1ccc2ccccc2c1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1538510208 HKKRWTBPTMCQBX-KRWDZBQOSA-N 431.879 4.559 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1539053456 SJNVCQHHBVRJOC-FXAWDEMLSA-N 445.405 4.936 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1539194309 XACREGPZSHFKEB-AOYPEHQESA-N 436.600 4.564 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(C)C)C1 1539498961 ZWQQQPFSUTWIFE-QZTJIDSGSA-N 433.021 4.920 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1539728660 KAVMZBANXUOYKP-OAQYLSRUSA-N 440.979 4.538 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCC(C(F)(F)F)CC1 1540059000 KWUKIVLGPSNXQW-UHFFFAOYSA-N 436.478 4.707 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCN1CC 1540133914 PJPJTLVYKBATSZ-HSZRJFAPSA-N 435.641 4.997 30 10 IJEE Cc1ccsc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1C 1542117946 FFGLJSOGNZCISO-UHFFFAOYSA-N 433.537 4.685 30 10 IJEE C=CCn1c(SC[C@@H](OC)[C@H]2CCOC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1559307992 VVXVMDFBKVXXTB-PKOBYXMFSA-N 442.606 4.763 30 10 IJEE N#CC[C@@H](O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1CCc1ccccc1 1559331689 ACFRYGSJHXZKGP-LJQANCHMSA-N 447.585 4.734 30 10 IJEE CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc(C#N)ccc1Br 1559525736 CWKRQOKFULQIEC-UHFFFAOYSA-N 427.321 4.915 30 10 IJEE C=C(C)[C@H](NC[C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)c1ccc(F)c(F)c1 1560764396 JHNICAKCXDQPEK-VGSWGCGISA-N 448.558 4.597 30 10 IJEE C#CCC1(NS(=O)(=O)c2c(Br)cc(C)cc2Br)CCCCC1 1561958660 UADPWYWLVZHLKR-UHFFFAOYSA-N 449.208 4.525 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1COc2c(C)cccc2C1 1562321698 CRXJBGLPBSUHPF-QFIPXVFZSA-N 427.504 4.879 30 10 IJEE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1567154224 DKORTXLVVCOXMU-XMMPIXPASA-N 431.536 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 1585692426 AHGLIHJRADJTKO-QHCPKHFHSA-N 425.460 4.638 30 10 IJEE CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2=O)cc1 1585707578 AURNUFPFLBLOEF-IBGZPJMESA-N 441.487 4.741 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)C(F)(F)F)cc1 1587315763 WOXJMFAOKPLUIA-OXQOHEQNSA-N 433.451 4.590 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1588292913 GKZRZXAIGWFBIH-HXUWFJFHSA-N 444.526 4.636 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)[C@H](C)C1CCC1 1588993188 FUQDVSQMNJALII-GOSISDBHSA-N 434.613 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589514695 HTCNOIVDKBRKLW-CLWJZODNSA-N 434.506 4.793 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1oc2ccccc2c1C 1589599711 KANMULJFSDWLAC-VWLOTQADSA-N 438.572 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1589663572 OTWINCOYUMNENO-LJQANCHMSA-N 433.641 4.916 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](Cc2ccccc2)C1 1589721849 FDVPHBMWHCBFFQ-SFHVURJKSA-N 440.389 4.691 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1589722186 XUROJWRXSJFYSN-GOSISDBHSA-N 440.389 4.925 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1594128334 PPJNVKBAFDVUHJ-KNQAVFIVSA-N 428.552 4.748 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(O)CCCC2)CC1 1594430947 RPBHMJHZLANEAH-UHFFFAOYSA-N 438.616 4.862 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)c1ccccc1 1594534347 KFASVJQZJQHJPZ-JRFVFWCSSA-N 448.615 4.562 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(F)(F)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1594552788 SMEMLLABKNGKED-NZQKXSOJSA-N 446.542 4.524 30 10 IJEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(C)(C)C)C1 1594824562 LHNNXNKWGLLGJT-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(SC)CCOCC1)C1CC1 1595026202 GKTCESWHEDBNGA-NRFANRHFSA-N 426.630 4.887 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCC[C@H]1C 1595243783 FEPMLLLYZVFECK-HOYKHHGWSA-N 440.975 4.978 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCC(C)C 1595282346 FLZFBGVMNDWWEL-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC=C(C(F)(F)F)CC2)cc1 1595614556 XLDNZCBUXQDOHC-HXUWFJFHSA-N 448.489 4.832 30 10 IJEE CCc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(C)(C)CC)cc1 1613784338 AESSARPZXFPIHQ-UHFFFAOYSA-N 443.599 4.537 30 10 IJEE C#CC[C@H]1CCN(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)C1 1622958150 ZPTDBIKCEPUCSI-FQEVSTJZSA-N 436.987 4.539 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 1623847739 NUNWAOBPSMXWGW-HXUWFJFHSA-N 435.355 4.869 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CC2(C)C)ccc1Cl 1625156724 DKPWNXWIDQUJMJ-KRWDZBQOSA-N 447.000 4.982 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 1625285703 KWMRSCPIXJUGDS-PGRDOPGGSA-N 430.907 4.535 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccnc1O 1626097651 MNGZSZQNDFNJDY-QHCPKHFHSA-N 443.503 4.599 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccccc1 1627429611 FYJQEMBDCJJYFK-SSEXGKCCSA-N 436.562 4.703 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1OC)C[C@H]1CCCO1)c1ccc(Cl)cc1F 1636566817 HKYUNEMLOQSCIH-WIYYLYMNSA-N 430.907 4.553 30 10 IJEE C#C[C@H]1CCCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C1 1639240335 FHBGNJBNRJECPN-SFHVURJKSA-N 431.561 4.977 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1nc(-c2cc(F)cc(F)c2)ns1 1642393982 KLZWCNLMLIVLMX-UHFFFAOYSA-N 443.504 4.991 30 10 IJEE C=CCn1c(SC[C@H]2CN(c3ccccc3)CCO2)nnc1-c1cccc(Cl)c1 1643810305 PQZGISKRJJQMSH-HXUWFJFHSA-N 426.973 4.782 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCC(=O)c1ccc(F)c(F)c1 1644269785 FKUQEUXYQYYGBP-UHFFFAOYSA-N 431.030 4.623 30 10 IJEE CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(c2ccc(Cl)c(C#N)n2)CC1 1652284369 AGKNMDCVPJRZEE-UHFFFAOYSA-N 426.948 4.670 30 10 IJEE Cc1ccc(-c2nc(C)c([C@H](C)N(C)S(=O)(=O)c3ccc(C#N)c(C)c3)s2)cc1 1654243237 AWVYRLSHTFHFKB-KRWDZBQOSA-N 425.579 4.989 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CC(C)C)CC[C@H](C)C3 1656072784 YKOVDSPVQNMQBT-INIZCTEOSA-N 447.670 4.756 30 10 IJEE CCCCN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1659691822 BFBDVHVUOSHUED-UHFFFAOYSA-N 445.551 4.677 30 10 IJEE C#CCN(C(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1)[C@@H]1CCCc2ccccc21 1663156480 JROQZOIZXHXRNI-HHJKRLRDSA-N 435.543 4.984 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1OC)c1ccccc1 1663909719 HSQMANYBCYMETC-KRWDZBQOSA-N 442.350 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 1667609555 JPRFLVPKMWPEJV-GIVPXCGWSA-N 429.358 4.819 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](CCc4ccccc4)C3)cc2)nc1 1668482126 AOYDFWBRBZSRKQ-HSZRJFAPSA-N 428.492 4.611 30 10 IJEE CCCc1c(NC(=O)N[C@@H]2CCCc3ccc(OC)cc32)cnn1-c1cccc(C#N)c1 1668964197 GBTICODWYZJAQX-JOCHJYFZSA-N 429.524 4.904 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C1 1672504964 ARCQGJRHSUPTBS-HXUWFJFHSA-N 426.561 4.644 30 10 IJEE C=CCCC(C)(C)CNC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1673996058 BOVLQLHFYJHABV-VQIMIIECSA-N 425.976 4.533 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1674395528 OSSBNIPOOSUMEO-HSZRJFAPSA-N 431.561 4.843 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 1676503032 CRMMGXDQPISXIM-UHFFFAOYSA-N 426.801 4.724 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCN1C[C@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1676840190 GQBSUWHMYDWPFR-FUHIMQAGSA-N 427.511 4.511 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCCC1(C)C 1677181353 QHWVIUYNFOXQTO-QFIPXVFZSA-N 433.040 4.628 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 1677417101 HNTTZNLWCCVSOY-FCHUYYIVSA-N 440.588 4.708 30 10 IJEE CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1678506326 FOMWVSBCUGSUBX-QFIPXVFZSA-N 438.547 4.715 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)c1ccccc1 1684987966 BXNIPWHARPNXID-RPWUZVMVSA-N 442.003 4.798 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCCCC1)c1ccc(F)c(F)c1 1686173691 NIKXKFQHJYIPQA-RXVVDRJESA-N 435.515 4.769 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H](c1cccs1)N1CCCC1 1689858419 LWJXKANWNYLKME-JTHBVZDNSA-N 447.652 4.810 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCSC1 1690053843 JJNJYYYAAWJDJG-NRFANRHFSA-N 436.625 4.505 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690062226 HRQXXFYVWNZBKQ-QGZVFWFLSA-N 445.995 4.561 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H](C)c1ccco1 1690156478 XKIOLPDPXBKJEN-IAGOWNOFSA-N 428.533 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ncccc1N(C)C 1690257834 VTEXCRCKNVVWJN-UHFFFAOYSA-N 430.600 4.660 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCc2c(ccnc2O)C1 1690294762 ZXYWNBDZUSPSIV-UHFFFAOYSA-N 433.556 4.528 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 1690441570 BBPUBDZWXAAJAC-NZQKXSOJSA-N 433.604 4.660 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C1CCCCC1)N(C)C 1690532855 VZWAYLXDMIWPOC-HSZRJFAPSA-N 425.621 4.607 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 1690537967 YVHUEWUSBLDCEJ-QKLQHJQFSA-N 430.980 4.777 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](SC)C(C)(C)C)C1 1690695023 ZTIWCHCROHLMMB-FXAWDEMLSA-N 430.618 4.513 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705515783 MJYHZZDZZIZQBL-LADGPHEKSA-N 441.664 4.804 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCCSCC 1705669818 XOKJSAUIPFIBQU-HXUWFJFHSA-N 433.419 4.843 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CCC(C)C 1705682840 MPYUYBSADCIZDK-UHFFFAOYSA-N 437.773 4.668 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(CCc1cccc(F)c1)C1CC1 1705686567 CHZNZHYMWBCMOH-UHFFFAOYSA-N 442.336 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1705716468 LXHRTAHUMHGKML-DEOSSOPVSA-N 426.536 4.528 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCCCC2)CC1 1705776187 ACRFPRRVXRGAPZ-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cnn(C)c2C)CC1 1705784981 RDSQDXXRFPDPAF-UHFFFAOYSA-N 448.615 4.782 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1705801195 WYHJNCPXLZIPTB-UHFFFAOYSA-N 437.632 4.904 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1705849780 VYXANYLQBRRWSS-UFYCRDLUSA-N 441.595 4.832 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1c(C)noc1C)C1CC1 1705851205 YBHMEXZMCYUSLS-UHFFFAOYSA-N 427.936 4.609 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H]1N(C)CCCC1(C)C 1705857361 DJRFOBHSLSPGKD-JOCHJYFZSA-N 434.632 4.760 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2[C@@H]2C[C@H]2CCC)C1 1705917567 VTWLEMCAFYQLDL-ATZDWAIDSA-N 431.378 4.850 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C)C1 1705942534 WFHNYYPGGMCQDW-INIZCTEOSA-N 444.601 4.957 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1705947559 OWFCIHUIHLBVES-HXUWFJFHSA-N 447.048 4.694 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1706748162 GPUOCHWLNWSOHT-ICSRJNTNSA-N 444.624 4.711 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)n1 1707838893 DIFBYMBFPLYASD-SFHVURJKSA-N 431.588 4.593 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCC(C)CC1 1722476447 VXXIUPSOYVIYSM-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1722568410 KZVNJCXXVJTTDT-IBGZPJMESA-N 438.494 4.598 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1722605953 ZCLFXPOLZNXPJT-FQEVSTJZSA-N 445.405 4.927 30 10 IJEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1 1726541414 IETYEMOGAYWKFY-AOMKIAJQSA-N 447.505 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc(Cl)nc1 1740543637 UDNLQMFPKMSVQX-SFHVURJKSA-N 437.975 4.925 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)C[C@@H]1CCCO1 1740565756 GPFJFNVJSMGFKK-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2)CC1 1740568888 UEKOHJIRNLFAOT-UHFFFAOYSA-N 426.008 4.857 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCC(F)(F)C1 1740675740 VZXWQVCBMRZWJK-SFHVURJKSA-N 432.515 4.541 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CSCCS1 1740770532 VRIKLKQMWGEPSL-MRXNPFEDSA-N 439.050 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCC[C@H]1CC 1740777164 PDQUAJNSUIRGGV-YPAWHYETSA-N 431.669 4.864 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC(F)(F)C2)CC1 1740819018 AOSZLUGZQHSPPW-AWEZNQCLSA-N 440.336 4.638 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1740819951 KSGUUNPUMVHFEC-ICSRJNTNSA-N 445.405 4.988 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCC)CC1 1740838162 IAULANKUNITESY-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccccn2)CC1 1740858420 QJZSZBUBPVVANP-HSZRJFAPSA-N 430.600 4.898 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740866505 GDRSOAVXXXQPCC-YMPZKCBVSA-N 443.680 4.864 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740866512 GJJFYXKKSWYKBS-WOJBJXKFSA-N 442.629 4.941 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OCCC)CC1 1740871059 OXTGWHAOTAFELK-QGZVFWFLSA-N 436.398 4.787 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCN1CCCC 1740893516 MPKMJUOFSJLQHI-NRFANRHFSA-N 433.604 4.612 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1740896238 LOQZRJFIEZMRPX-OYRHEFFESA-N 434.632 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC1(CC)CCCC1 1740924624 XQQGQSMUMININY-UHFFFAOYSA-N 427.618 4.625 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccccc2C(C)C)C1 1740980615 QOIGSIOPETZZBR-REWPJTCUSA-N 440.588 4.503 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)[C@@H](C)CC 1748646954 GEWQRJMQGJAARX-ABSDTBQOSA-N 437.613 4.896 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1749032875 SNGVAOBDGFLAHR-UYAOXDASSA-N 435.597 4.981 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)Cc1cccs1 1749090313 LSVAIYRVQCJTCB-UHFFFAOYSA-N 448.346 4.850 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1749207181 FPUQGKZHHMGVKL-UHFFFAOYSA-N 448.518 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1749375347 ANSZXKXVIMVKDW-RUZDIDTESA-N 437.588 4.726 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)s1 1749529590 IHQBSJFYBVKLKE-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C 1749537890 PIDNRXJNUPOZNN-RTWAWAEBSA-N 426.630 4.896 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C(C)(C)C)C1 1749614082 QAEHXJOMTDGSDO-INIZCTEOSA-N 439.785 4.798 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N 1750243673 HKDKMACYTOWORE-QWHCGFSZSA-N 428.389 4.511 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](OCCC)CC1 1760145037 HAYROQPDMLPYSM-CTNGQTDRSA-N 428.552 4.756 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OC(C)C)CC1 1760145214 KHOMDVMYNCNUOR-SFHVURJKSA-N 430.980 4.879 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(F)(F)F)CC1 1760277979 ITPSLRDSGZVZAT-UHFFFAOYSA-N 428.911 4.744 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCCCC1 1760319536 OKIGEICQHIAKTP-CVDCTZTESA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1(C)C 1760340644 IIQSSYRLKQYBLL-LJQANCHMSA-N 425.602 4.663 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(Cl)s1 1760342290 FORSGAGZWFQBES-UHFFFAOYSA-N 426.771 4.963 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1760364495 RZXSJKHRISDLSQ-UHFFFAOYSA-N 443.382 4.752 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760407290 ZFGXOHCPIHXPFD-YLJYHZDGSA-N 442.583 4.933 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(OC)C1 1760408123 CKJHJTLOLBENED-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760408552 OHLRDJBOBNIDAA-KRWDZBQOSA-N 447.986 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccccc2C)CC1 1760410837 SOAAMUYVJGQFIT-UHFFFAOYSA-N 444.627 4.881 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](NC(=O)OCC)C1)c1ccccc1 1760417808 IUPZVJNOBUBERZ-NNWRFLSQSA-N 439.604 4.866 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)C1CCCC1 1760437509 GIRXSPYPKUAAKL-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1760452292 KMLUEPQEMYUZAQ-XMSQKQJNSA-N 437.613 4.609 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CCO[C@H]1C(=C)C 1760484603 FDNDUJHBFYRAPG-BWKNWUBXSA-N 447.558 4.577 30 10 IJEE Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)c1 1858840868 AHLCHDUSIYUWLS-QGZVFWFLSA-N 429.480 4.620 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C1CCN(Cc2cccc(F)c2)CC1 1861184411 LZFMANFWIMIEOM-XMMPIXPASA-N 445.623 4.505 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1F)c1ccc(F)cc1F 1862411173 AZXAXYORHMCBEG-HXUWFJFHSA-N 443.446 4.986 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862450530 JVRRKPSMZCFNPO-IBGZPJMESA-N 444.871 4.722 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1OCC 1862683230 HUFSQGRKEVSYGS-OYHNWAKOSA-N 441.499 5.000 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2F)cc1 1862687675 NXVCWHMJSKWVNU-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)c1 1862736326 ICIISIMASGEGOU-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862736979 QORALSDOFCVHTO-QHCPKHFHSA-N 442.471 4.724 30 10 IJEE CCCOc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)c1 1862753394 XKBQPCYZXHQCRM-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cc(F)ccc2F)=C(c2c[nH]c3ccccc23)C1=O 1863136243 DTDANESJSQMQGH-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE C=CCN1C(=O)C(Nc2cc(NC(C)=O)ccc2C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863285644 RGNGBNRELLIQOP-UHFFFAOYSA-N 444.318 4.638 30 10 IJEE CC/C(=C\C(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(OC)cc1 1866688523 QWXYJSNCFYRPHQ-WFBCFIKKSA-N 439.515 4.856 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccccc1C#N 1866705094 ZQGZIGYAQJLCOC-ZCYQVOJMSA-N 440.547 4.593 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C 1868651028 NURGICJIJGJQHT-FQEVSTJZSA-N 443.975 4.722 30 10 IJEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ncccn1 1870232786 JTBHQSGIQBGCTD-UHFFFAOYSA-N 434.565 4.962 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN2CCN(CC)CC2)cc1=O 1870412543 BKXNZRBDTUZMPN-UHFFFAOYSA-N 439.644 4.692 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN(CC)CCO)cc1=O 1870414032 DGHLXRDZXRFIMJ-UHFFFAOYSA-N 435.008 4.713 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(Br)cc2)cc1=O 1871009212 KEVPQUPZNAOJRT-UHFFFAOYSA-N 437.337 4.592 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871410767 BRBBHXWUWHZZLP-BDQMVGTNSA-N 433.460 4.927 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCc4ccc(C#N)cc4)ccc3C2=O)c(OC)c1OC 1871417306 HOSPYTOVJDBFTJ-FMCGGJTJSA-N 443.455 4.779 30 10 IJEE C=CCN=c1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871508730 KMOUWJYRRWOOLX-KDURUIRLSA-N 430.556 4.910 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1871768135 NUUBLRAAXNBRGU-OAQYLSRUSA-N 426.563 4.613 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871873670 IHBITKCORBNADY-VGOFRKELSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872523934 KIGGBIRDUXFRSV-HRAATJIYSA-N 434.627 4.985 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(F)cc1 1874235922 HGRSNYGIRHJSSH-ZMOGYAJESA-N 426.517 4.945 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCCO)n2/N=C/c2c[nH]c3ccccc23)c1C 1874255450 CBLPHUYLGSKMDX-VULFUBBASA-N 449.580 4.620 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874342260 HEIJMGRQPAQTDN-FSJBWODESA-N 426.929 4.771 30 10 IJEE CCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC)cc1OCC 1874380244 JYCSAOPZZSLJJD-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1O 1874427273 ZSSGALFKUDSATJ-AFUMVMLFSA-N 434.496 4.973 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(C)cc1 1874458474 QDFZTWTWHMSZSU-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2sccc2C)cc1 1874489300 KRBLPKGIUGPOPH-WSDLNYQXSA-N 427.599 4.768 30 10 IJEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706494 KXCMJMZYXPYQFK-PKNBQFBNSA-N 430.456 4.511 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1C 1875108375 MBADPGPPIHVAHB-RMKNXTFCSA-N 429.494 4.857 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1 1875129034 HUQJFJSAQFPETP-OJWOGGGRSA-N 430.884 4.728 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)[C@H]1CCCO1 1875144007 BGEJYCMXRSTBND-BREAQWACSA-N 436.504 4.721 30 10 IJEE COc1ccc2c(Cl)c(C(=O)N3CCC(Oc4ncccc4C#N)CC3)sc2c1 1890561040 WWLMSFLNGHQVMD-UHFFFAOYSA-N 427.913 4.514 30 10 IJEE CCCCC#CCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1903042239 ALUWMLVBOKZLCS-HSZRJFAPSA-N 437.561 4.905 30 10 IJEE C#Cc1ncccc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1903692932 DOJZATFYZNFLRP-RUZDIDTESA-N 439.515 4.565 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C[C@@H]1C 1926491029 OGLWGICOVVCUAF-QMHKHESXSA-N 431.533 4.586 30 10 IJEE C[C@@]1(Nc2ccc(Br)cc2C#N)CCCN(C(=O)OCc2ccccc2)C1 1998959732 ZZHNTDVCCRNVJG-OAQYLSRUSA-N 428.330 4.924 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC1CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2020333424 VZIUFXGZISYXPB-UHFFFAOYSA-N 437.625 4.759 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2024621412 VGNUHXBDALKOFO-XMMPIXPASA-N 431.577 4.853 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Cl)c(C)c(Br)c1 2048648876 AURAKDDJVGZZMG-MRXNPFEDSA-N 428.754 4.829 30 10 IJEE CCc1ccc([C@H](n2nc(CC)c(/C=N/O)c2I)C2(C)CC2)cc1 2079051005 XCGCWEZVWQCKPK-RHLNUJDMSA-N 437.325 4.810 30 10 IJEE CC[C@@H](c1ccc(OC)cc1C)n1nc(C(F)F)c(C#N)c1I 2079936431 QPSGDLQBMOPMOW-ZDUSSCGKSA-N 431.224 4.613 30 10 IJEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)c(Br)c3)c(C(F)F)nn2c1N 2081479632 GYERGZDSHKGMOM-UHFFFAOYSA-N 432.150 4.569 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1cc(Br)cc(F)c1C#N 2107438640 NXHSMKKWTLSERP-MLGOLLRUSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNc2ccc(C#N)c(Br)c2F)C1 2115610007 QHVALOQYYHJORC-CKSWESSHSA-N 430.293 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1cc(Br)cc(F)c1C#N 2163697170 JAMIYXJXCNPEKL-QGZVFWFLSA-N 448.283 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C)C(=O)Nc1ccc(Br)c(C#N)c1 2180925034 ZJVYZZVZOLJBRT-JXFKEZNVSA-N 436.350 4.733 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181102133 BIOKLBRLJILQSO-DVOMOZLQSA-N 436.350 4.541 30 10 IJEE CCC[C@@]1(C(=O)Nc2ccc(C#N)cc2Br)CCCN1C(=O)OC(C)(C)C 2181136628 JJPJLMZXUXVUTD-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1c1cc(Br)cc(C#N)c1 2185155302 VYULGYSAEIJYEM-INIZCTEOSA-N 444.320 4.840 30 10 IJEE O=C(NC[C@H](Nc1ccc([C@@H](F)C(F)(F)F)cn1)C(F)(F)F)OCc1ccccc1 2199321596 YZCTXPZAUQLFCC-DZGCQCFKSA-N 439.331 4.924 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](O)C#Cc1ccc(Cl)cc1 2212453902 YVGHAGAGFHBUEA-FCHUYYIVSA-N 429.944 4.553 30 10 IJEE C=C([C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229121783 YDAROWCRCOVYEU-ROUUACIJSA-N 441.486 4.907 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2235726680 YDCCHGXDYASPMX-RBUKOAKNSA-N 435.406 4.718 30 10 IJEE C[C@@H]1CC[C@](O)(C(=O)C#Cc2ccccc2Br)[C@@H](OCc2ccccc2)C1 2235730621 VVABCDFWFLNFTM-VSDWSMLSSA-N 427.338 4.506 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 2235748276 YBTFNHKTYYLDFD-HSALFYBXSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)C2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2249323008 IHMCTWGKPVWNEL-MEWABEDBSA-N 434.541 4.509 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2262198762 BOHNODKLPDJCBA-OFVILXPXSA-N 447.572 4.657 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2262199825 LOYVETBYJFIAJI-DQEYMECFSA-N 447.572 4.704 30 10 IJEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267184243 LKFHWPBYTNWASI-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE N#Cc1cc(F)c(NCCc2cccc(I)c2)cc1Br 2289508268 KERAFFJZUCAHRY-UHFFFAOYSA-N 445.073 4.719 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12 2296110504 RHVYBLOTRIPGQI-JOCHJYFZSA-N 435.907 4.951 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296218582 FVYYEKAMRFIMOI-OALUTQOASA-N 434.374 4.731 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C=CCCN1C(=O)OC(C)(C)C 2296221787 LTHOFXFMHNBWOD-UXHICEINSA-N 433.390 4.734 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]12C[C@H](CN1C(=O)OC(C)(C)C)C2 2296223898 FDNGUJQZJRSXLP-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@H](O)C#Cc2ccc(Br)cc2)CC1 2296284196 OFECWAXEXFMBAP-COFLGROHSA-N 436.390 4.883 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1(C)CC1 2296286452 LNBWTEQOPSMQKQ-RBUKOAKNSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(N)C#Cc1ccc(Br)cc1 2296295586 FIZSGZHPTGMZEX-VGSWGCGISA-N 433.390 4.603 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC1(CNC(=O)OC(C)(C)C)CCC1 2296295969 IZNGMLLRLQTWBP-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2296310253 HHGLNSITAPFOSK-MISYRCLQSA-N 435.406 4.720 30 10 IJEE C#CCCOC(=O)Nc1cc(Br)c(Br)c(Br)c1 2300715977 IUOFSFDPXCYXGN-UHFFFAOYSA-N 425.902 4.546 30 10 IJEE CCOc1cc(C=NN=C2SC(=Cc3ccccc3)C(=O)N2Cc2ccco2)ccc1O 2314819038 QSLKTOWGYLEFAO-UHFFFAOYSA-N 447.516 4.891 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@@H](COC(=O)C=Cc3ccc(Cl)cc3Cl)C2)c1 2321486510 NTQAYXJCHKGKFY-QGZVFWFLSA-N 443.330 4.974 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2323603934 OTGZJMLIMWKPNB-UHFFFAOYSA-N 430.412 4.610 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2325235179 IASJDEWKJFIMIV-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(OCCC(=O)OC)c3C)C2=O)c2cc(OC)ccc21 2325405819 ZMCAGOPQKMRJMR-UHFFFAOYSA-N 435.476 4.536 30 10 IJEE CCCOc1c(OC)cc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1OC 2326461161 WRGGGVBQMKQRJO-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(N(CC)CC)cc1 2328624311 LZWLKAPIRMPHHG-UHFFFAOYSA-N 437.613 4.912 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(Br)cc1 2328871415 YLIGTIYRBMJOMF-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE C(=Nn1c(CCOc2ccccc2)nnc1SCCc1ccccc1)c1ccccn1 2329200346 SXAAYZAGOZQIJM-UHFFFAOYSA-N 429.549 4.512 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Br)cc1 2329351773 LBOBKNDPEQVRRL-UHFFFAOYSA-N 443.370 4.918 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3Cl)n2N=Cc2ccco2)o1 2329566778 XYXLXIMMYYXABO-UHFFFAOYSA-N 442.884 4.746 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(C)c1 2329622418 FWXOJRFOSSCFEZ-UHFFFAOYSA-N 428.945 4.834 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(OC(C)=O)cc1 2331165095 VJXBVXWUVZTQMR-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)COC 2331327642 BGESPOVOWZNXIP-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(I)ccc1Br 2339567799 MUVUTCRDVKWTEF-IAQYHMDHSA-N 432.143 4.754 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576447 IGRBLHHYFFJKLB-RTBURBONSA-N 444.381 4.798 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)c2cc(Br)cc(OC3CC3)c2)C1 2362788725 LVNYNEVBELOFII-GOSISDBHSA-N 438.362 4.885 30 10 IJEE CC1(C)OB(c2cc(O)c(C(=O)N(Cc3ccccc3)c3ccccc3)cc2F)OC1(C)C 2364949751 AQESMODALGRXMS-UHFFFAOYSA-N 447.315 4.678 30 10 IJEE N#CCc1ccc(COCc2cc(I)ccc2Br)cc1 2367286101 SDLMOEGYWIANMO-UHFFFAOYSA-N 442.094 4.837 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Oc1cc(Br)cnc1C#N 2381061648 GALXYCDSOBKHJR-MEGQDDJESA-N 436.350 4.567 30 10 IJEE C#CCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc3ccccc3c2)cc1 25143267 VMCLHUOIBYJVMF-UHFFFAOYSA-N 437.499 4.574 30 10 IJEE C=CCNC(=O)C1CCN(C(=O)c2cc3ccsc3n2Cc2ccc(Cl)cc2)CC1 33280624 BPTPCPBIHHSUQH-UHFFFAOYSA-N 441.984 4.559 30 10 IJEE CCOc1ccc(Br)cc1/C=N/Nc1nnc2c3ccccc3n(CC)c2n1 64981524 FJTVYAKKULRDNK-WSDLNYQXSA-N 439.317 4.607 30 10 IJEE CCOc1cc(/C=C\C(=O)c2ccc3cccc4c3c2CC4)ccc1OCC(=O)N(C)C 98002047 BJFKJTPFSCJLFC-ZSOIEALJSA-N 429.516 4.700 30 10 IJEE CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 100244837 WGOUJWFHCCEGJN-YQMDHOPXSA-N 431.945 4.637 30 10 IJEE CN1/C(=C/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(C)(C)c2ccccc21 103434615 UPKXGKMMCJWDDK-HKOYGPOVSA-N 438.593 4.746 30 10 IJEE CCOc1c(Cl)cc(/C=N\n2c(COc3ccccc3)nnc2SC)cc1OC 169916508 WRKBVYWQPLEAIJ-UUYOSTAYSA-N 432.933 4.522 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccnc2)c1 170012112 QOYSXQULKWNLAZ-HSZRJFAPSA-N 430.479 4.659 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccncc2)c1 170025864 QCXROWKKRNDEAY-HXUWFJFHSA-N 433.533 4.550 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(C)c2)cc1C 170148296 AIMKRHFKYLWZLA-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)cc1C 170168156 DWYIHBUOBHHSNG-NRFANRHFSA-N 434.517 4.629 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1 170242461 JNBFYBBJOAZALB-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170244766 HBEDULDHSQYTML-QHCPKHFHSA-N 437.536 4.742 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266351 FZIVSJUOMRRLFR-QHCPKHFHSA-N 431.488 4.938 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)cc1OC 170272095 IFBLKQKBAWYLCN-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)o1 442139513 VZNMVWAWLRTGGX-MGPUTAFESA-N 448.548 4.775 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(Cl)ccc1OC(F)F 466778591 OTKXMSHBFRCTPL-UHFFFAOYSA-N 425.819 4.747 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 508893404 HINSZNBFQXINOB-QHCPKHFHSA-N 429.499 4.705 30 10 IJEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1ccccc1C(=O)O 526605729 FASBPMIZMJQQKH-OAQYLSRUSA-N 430.847 4.967 30 10 IJEE N#Cc1ccc(N2C(=O)C(Sc3ccc(Cl)cc3)=C(N3CCCCCC3)C2=O)cc1 526687941 DPIYMZSDTBJSLZ-UHFFFAOYSA-N 437.952 4.965 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cccc(OCC)c1 526827790 IIOCLGLFSPBMOW-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(CC)c2nc3ccccc3s2)nnc1-c1ccco1 533198216 XCWJPQMRODFCSK-UHFFFAOYSA-N 439.566 4.869 30 10 IJEE CCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H](C)Cc1ccc(OC)cc1 543889608 ACNZKWHNCYNVKH-MRXNPFEDSA-N 437.931 4.891 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 549734184 WJXRZGHBZZTWGY-CQSZACIVSA-N 447.406 4.761 30 10 IJEE C=C(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586258059 DAIHXKIQZSQYGO-UHFFFAOYSA-N 430.751 4.883 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)n1 611904749 KNOPADDHXRTVDC-UHFFFAOYSA-N 447.760 4.515 30 10 IJEE Cc1sc2nc(CS[C@H](C)C(=O)OCC#Cc3ccccc3Cl)nc(O)c2c1C 746952879 FAFBPPSNSJZTHB-CQSZACIVSA-N 446.981 4.884 30 10 IJEE CC#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 762493519 FSVNZSXPKMRJTG-SFHVURJKSA-N 445.466 4.689 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3cc(Cl)nc4ccccc34)nnc12 771751473 UBVNDHVULRLSOV-UHFFFAOYSA-N 433.924 4.724 30 10 IJEE COc1ccc(CNC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)cc1C#N 778937505 WTCQXOFYCZSDAV-RUZDIDTESA-N 444.531 4.522 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 780672839 KBDQAZYVFWWKGS-QFBILLFUSA-N 439.516 4.583 30 10 IJEE N#C[C@H](C(=O)CN1CCCCC[C@@H]1/C=C\c1cccs1)c1nc(O)c2ccccc2n1 783029998 DZDXRCVAUFSDTL-JUFQSTKVSA-N 432.549 4.531 30 10 IJEE N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1cccc(Cl)c1 786534728 MGUGBRMUMZWHNC-SLHXSTLSSA-N 441.236 4.964 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)n2)[n+]2ccc(CCC)cc2)c1 811724538 NWARVBJFBYQKBB-UHFFFAOYSA-O 430.553 4.635 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1ccccc1C#N 917704816 PFMKBYNCLZCGAU-LJQANCHMSA-N 438.940 4.666 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(C(C)C)c1 917712064 CMTPQMGJWROAHM-NRFANRHFSA-N 437.565 4.993 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1)NC1CCCC1 1084158605 AAZCFQKLFHFNDJ-UHFFFAOYSA-N 444.564 4.708 30 10 IJEE C=CC[C@]1(C(=O)NCc2cnc(-c3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 1126676025 ACUOWCXFFBJPLF-HSZRJFAPSA-N 427.570 4.772 30 10 IJEE COc1cc(-c2ccccc2)sc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1127329533 FWXKBKQFRDKLBN-UHFFFAOYSA-N 433.533 4.810 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(OCCCC)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1128132456 MPYGXTRLEPYNQH-DEOSSOPVSA-N 448.991 4.928 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Br)c(Cl)c1)c1ccc(Br)cc1 1129730302 FLSIBJFGAQAOAX-HNNXBMFYSA-N 427.523 4.969 30 10 IJEE C=CCC1(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)CCCC1 1131251324 DOCLDPHAIKHXFH-UHFFFAOYSA-N 448.592 4.944 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)CCCN1C(=O)OC(C)(C)C 1137795911 QRNVPUCUCXHIRR-BKMJKUGQSA-N 441.616 4.768 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccc(Br)cc1 1141460975 LHDHKOOTXODXQO-HXUWFJFHSA-N 430.305 4.892 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1142976178 ABRQJXVMCWOJHS-LJQANCHMSA-N 435.911 4.812 30 10 IJEE C#C[C@H](NC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1156084294 LMJZPKISHNDMOZ-DEOSSOPVSA-N 432.564 4.858 30 10 IJEE C=CCn1c(SCCCCC2(C)OCCO2)nc2sc3c(c2c1=O)CCCCC3 1164444387 VCFXAESYGSPNDC-UHFFFAOYSA-N 434.627 4.938 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1cc(OC)ccc1Br 1169252869 MGCWCKOTFVBFJM-HNNXBMFYSA-N 437.403 4.554 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-n3cncn3)c(Cl)c2)cc1OC 1178033745 VNQIDMFNOMJARW-UHFFFAOYSA-N 449.736 4.869 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc2c(c1)CCC(=O)N2CCC 1178310852 LDQKAKQXWUGYIK-UHFFFAOYSA-N 427.342 4.762 30 10 IJEE C=CCn1c(SCCc2ccccc2C(=O)OC)nc2sc3c(c2c1=O)CCCC3 1188252978 SANOKHARASKGIL-UHFFFAOYSA-N 440.590 4.644 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C 1199048239 IBANMQQTDDLKLY-OAHLLOKOSA-N 430.911 4.881 30 10 IJEE CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C#N)ccc1OC(F)F 1199740458 FCTVYOGKHHUCTQ-UHFFFAOYSA-N 429.345 4.721 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)Cc1nc(Br)c(Br)n1CC 1204374298 HRGKYDADGSPDPC-UHFFFAOYSA-N 443.183 4.625 30 10 IJEE COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c2cccnc12 1211482572 ABEGQVJZGGQFBH-QGZVFWFLSA-N 443.528 4.822 30 10 IJEE CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H](CO)c1cccc(Cl)c1Cl 1217645797 GPLKVFRPQWJDPR-HNNXBMFYSA-N 443.128 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1246900634 WEAGNDKUEAUHHM-DENIHFKCSA-N 428.573 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1264265007 JFLNNLCBAXITIC-WOVHNISZSA-N 448.563 4.805 30 10 IJEE C=CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1264785181 WDNKPKHCSVZTOF-PGRDOPGGSA-N 430.907 4.981 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1)c1ccccc1 1265140666 WSWPZBRZKDVGSD-ISKFKSNPSA-N 434.580 4.573 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C 1275388987 BDDLREVROFRURV-ZDUSSCGKSA-N 427.339 4.598 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(C)C1CCCCC1 1286275171 NDQWOWXWVHPDBD-OAQYLSRUSA-N 444.627 4.914 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCN(CCC(C)(C)C)CC1)c1ccccc1 1286616851 DWUOPVKFPBTWRL-UHFFFAOYSA-N 444.627 4.536 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](OC)C2CC2)CC1 1286647647 JRHOKDHAUJWVDS-QFIPXVFZSA-N 445.007 4.833 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2sccc2C)CC1 1286664409 XDYVYTHXHIFUGO-UHFFFAOYSA-N 433.581 4.744 30 10 IJEE C=CCCCCn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286691040 BANVABGXIQTJDY-XMMPIXPASA-N 446.542 4.516 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ncccc2F)CC1 1286695242 SATXLXAJCFQJPQ-OAQYLSRUSA-N 434.563 4.647 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1C(F)(F)F)C1CC1 1286733760 IEKYPJRKWPILMT-UHFFFAOYSA-N 429.446 4.571 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1286832367 KFIWWAIHUREDRK-QHCPKHFHSA-N 439.673 4.956 30 10 IJEE Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCC#N)CC2CC2)s1 1289699631 BKUCZLGFMNRYLD-WOJBJXKFSA-N 427.618 4.745 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1300339665 QSAITEAIWKACHA-VXKWHMMOSA-N 433.600 4.967 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCCC(C)(C)COC 1300800345 PUDFROONPJQQTC-AREMUKBSSA-N 433.600 4.882 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1300901633 PTVTYABZFFUTJC-NZQKXSOJSA-N 430.980 4.729 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1 1300996151 AECFSICKTRWENF-UHFFFAOYSA-N 436.522 4.825 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301189584 XVIFYKASJUERHO-UHFFFAOYSA-N 429.653 4.888 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1301202641 MVBOMQDBCWKBIP-HXUWFJFHSA-N 446.599 4.511 30 10 IJEE C=CCCOCCn1c(N2CCS[C@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1301262436 SZONJYJJJQBLCY-OAQYLSRUSA-N 426.630 4.673 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1csc([C@@H](C)OC)n1 1301346924 LLRSPRRPIZEYAN-GOSISDBHSA-N 446.580 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](F)COC 1301358109 WZWFTABHPYZMBU-QGZVFWFLSA-N 426.517 4.930 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](C)C[C@H](C)C1 1301482354 VRQUCRVYMXMKRX-GJZGRUSLSA-N 444.004 4.598 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1301556259 HFDUQUAKEYXWDU-XMMPIXPASA-N 437.632 4.543 30 10 IJEE C=CCC[C@H](C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21)c1ccccc1 1302619316 CAQIURNLZYVUGZ-ICSRJNTNSA-N 430.470 4.935 30 10 IJEE CCN(C[C@@H](C)C#N)C(=O)CN[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1307626217 HLTBQTVXLQAQRT-MBSDFSHPSA-N 442.401 4.505 30 10 IJEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 1309975909 FIWJPWFQVFSHDS-INIZCTEOSA-N 439.409 4.545 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)C2(CO)CCC2)cc1 1310196513 RRAGLRXNULDAQK-HSZRJFAPSA-N 433.552 4.526 30 10 IJEE CSc1cccc(F)c1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1316417961 HFYCZYHILFPWPV-AVRDEDQJSA-N 429.565 4.559 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(F)c1F 1344097646 FMROZIKLJALVPP-SFHVURJKSA-N 445.491 4.597 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 1350582377 HSUZXHNZXDNMSF-UHFFFAOYSA-N 446.459 4.778 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(SC)n1)c1ccc2c(c1)OCCO2 1350583575 NRFJKGKRASDWQZ-UHFFFAOYSA-N 448.544 4.987 30 10 IJEE Cc1nc(SCC(=O)Nc2nc3ccccc3n2-c2ccccc2)c(C#N)c(C)c1C 1350724901 HODKIIZOCUXSJU-UHFFFAOYSA-N 427.533 4.948 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H](c1cccnc1)C(C)C 1358990552 RPQSTXSVIFXVGD-QFIPXVFZSA-N 431.971 4.896 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC[C@H]1CCCCO1 1359068170 QMZOWILQVQKHNT-VGOFRKELSA-N 443.389 4.659 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1359076492 CWLFGILQPZSCST-QUCCMNQESA-N 446.437 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1snnc1C 1359107544 OYTAUTRSTLIABX-HNNXBMFYSA-N 432.981 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1359110697 XWAVKGXMYLLNQT-UHFFFAOYSA-N 442.354 4.745 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)CCCS2)CC1 1359182040 PWBSDMODTLXEBY-QHCPKHFHSA-N 428.602 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359192465 GKBRATMUMVBDEX-SVMVAKDDSA-N 440.579 4.649 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2nc(C(F)(F)F)cs2)C1 1359317401 HUYZSRMDKBLMHI-OAHLLOKOSA-N 449.502 4.558 30 10 IJEE C#CCN(C(=O)[C@@H](OCC)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1360311422 UYJYSUOTULCASS-FPOVZHCZSA-N 428.326 4.512 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1360478276 HLEUJKMQODWFAY-JUXOCIIHSA-N 427.568 4.588 30 10 IJEE C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N)c1nccs1 1360583638 HFJBUQOJIISRBL-GJZGRUSLSA-N 430.965 4.509 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2)s1 1360597199 FFYDUQQNFKSFDY-LJQANCHMSA-N 449.963 4.605 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(F)(F)F)cc1 1436240314 TXBSFYQOQMVSOB-OAHLLOKOSA-N 428.160 4.799 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc3[nH]c(-c4cccs4)nc23)cc(OC)c1OC 1442517336 JXBADDSQVARKRT-UHFFFAOYSA-N 433.533 4.967 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 1445047153 GRBCXDRZDYBNCY-XMSQKQJNSA-N 436.552 4.846 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Br)ccc2C1 1447647688 FBPQWFQKKKTIMK-SFHVURJKSA-N 437.378 4.583 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(C(C)(C)C)co2)nnc1-c1ccc(Cl)cc1 1461250930 NXQNJQOVAWZMLL-UHFFFAOYSA-N 431.949 4.801 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@](C)(O)c2ccc(F)cc2)cc1OCC 1461412231 PQRLIZBAKWJHBI-OAQYLSRUSA-N 438.337 4.549 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1461775134 WTAAXPZWZLQGGV-ZCXUNETKSA-N 444.531 4.671 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2c(F)cccc2F)CCCC1 1464756286 UHCLPTACXLTWRM-QGZVFWFLSA-N 442.934 4.929 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 1465381053 CWPRDKZWSUZLAA-SFHVURJKSA-N 443.345 4.828 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)cc1OC 1474511547 ZFMNRSDIRGQTMU-UHFFFAOYSA-N 430.907 4.968 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCc3cnc(Cl)cn3)cc2Cl)c1 1476099008 DOVDHEGDRCREMH-UHFFFAOYSA-N 428.279 4.556 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCCCO2)on1 1496678780 DKAOECANLXDGMX-NRFANRHFSA-N 448.571 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCOC[C@H]1C 1507519755 KBJDCXRQAAIIKT-OWCLPIDISA-N 428.989 4.944 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1507555782 DSCHCDCCYDIELG-QFIPXVFZSA-N 449.986 4.937 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OCC 1507641612 BJKSOHWPSSDLGE-IBGZPJMESA-N 442.991 4.576 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1507659654 BZFGHSMVSSEKIN-ZCYQVOJMSA-N 431.628 4.557 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)C/C(C)=C/c1ccccc1 1507787549 IDCIHCVIPYNFAM-GHRIWEEISA-N 438.373 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1C 1507797628 PWEOVCQLGYBDKH-QRFRQXIXSA-N 445.405 4.986 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1507837084 IIEAFMXVQPAWMK-DLBZAZTESA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1507876571 MLSPUKAGNXGVHJ-WOJBJXKFSA-N 437.588 4.507 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C)C1 1507966654 VKKWAPRXZCCMHH-HXUWFJFHSA-N 426.605 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21 1508007515 DCZOGZVKFAOCEQ-VWLOTQADSA-N 436.625 4.955 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)c2c(C)noc2C)c1 1511201092 FJQQEAKXAHLFMF-CJAUYULYSA-N 448.571 4.704 30 10 IJEE Cc1ccc(Br)cc1CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1520486446 GOWNBRZGUQHXQD-UHFFFAOYSA-N 429.705 4.650 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCCC[C@H]3c3ccc(Cl)cc3)cc2C1=O 1521191698 LIMAFIYUPAFOTJ-SIKLNZKXSA-N 436.939 4.968 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 1521590464 OCHXXELJMDBRAF-QRWLVFNGSA-N 434.565 4.636 30 10 IJEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)cc1 1522957143 MQSOSXSCLSYEQF-BOKVAXDPSA-N 438.593 4.886 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(N)=O)c(Cl)cc1Cl 1525610052 SEAZQQLTBXNHLS-UHFFFAOYSA-N 433.213 4.928 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ncc(-c2ccc(OC)cc2)n1C 1527051205 YZOHJNBQJSZFRT-UHFFFAOYSA-N 431.414 4.932 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)cc1OC 1530652042 OPUREMZXLVWFIG-FCZSHWAVSA-N 434.580 4.783 30 10 IJEE C=CCC1(C(=O)N2C[C@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)CCC1 1536017319 PYNZFQUWMYABJK-VQTJNVASSA-N 440.584 4.889 30 10 IJEE C=CCCC[C@@H](C(=O)NCC(=O)Nc1cc(Br)ccc1C)c1ccccc1 1536590624 FCNGZQUDGDMLOU-LJQANCHMSA-N 429.358 4.952 30 10 IJEE C#CCN(C(=O)c1cc(C2CC2)cnc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1538198127 FZZJQGJJTINRSV-GOSISDBHSA-N 445.744 4.974 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)o3)CC2)cc1 1538547328 FRAHZFZOXDSAEI-UHFFFAOYSA-N 439.437 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12 1538572586 WWBQMYSEKZWMMY-BTYIYWSLSA-N 429.358 4.894 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1539134004 OTOYKLGSIUQIEL-UHFFFAOYSA-N 448.592 4.740 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1sccc1C 1539245859 FNRIIGUAMSTSPK-UHFFFAOYSA-N 439.382 4.507 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1occc1C 1539338413 ZWRUKEKQLGAVPI-UHFFFAOYSA-N 443.334 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1539538143 DFWPHLJALIAZMM-ZVVFGRKBSA-N 442.991 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](CCC)C1 1539615470 JAMSAPFGERDSIK-LWSSLDFYSA-N 438.616 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCO1 1539622941 YWHFHBIGTVCMGM-MZYLBHOOSA-N 438.616 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1539635456 GKPFHFUNMRMWFF-UEXGIBASSA-N 429.634 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCCCCC1 1539641773 OENFMQAQSLSYRN-XXBNENTESA-N 442.629 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1539643538 MNABWTJKWHMHHR-ZQAYVECASA-N 445.007 4.974 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1539775813 PQPFRPXZFKWSRF-JTSKRJEESA-N 449.020 4.903 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(C(F)(F)F)CC1 1539982289 TUPXOWHQUPZDHS-UHFFFAOYSA-N 430.272 4.701 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C(F)(F)F)cc1 1540107945 WYCFTVUUCSGLAE-LJQANCHMSA-N 439.411 4.665 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)[C@@H](C)CC 1540122661 YNKZXVCSZSCJEB-AVRWGWEMSA-N 433.556 4.708 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC(C)CC1 1540126183 GVLBOGIBYCSIKL-QFIPXVFZSA-N 430.600 4.653 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CC(F)(F)c1ccccc1 1540187003 KSGZDPCPTPDNNS-IBGZPJMESA-N 442.510 4.792 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 1540550021 FRHBYZMIXCQHDN-LOSJGSFVSA-N 445.950 4.869 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)C(F)(F)F)C1 1540885487 KAUARQIVAHMHAH-MRXNPFEDSA-N 428.886 4.968 30 10 IJEE CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 1543247251 CMZHFOZELKLBLT-UHFFFAOYSA-N 449.532 4.537 30 10 IJEE COC(=O)COc1ccc([C@@H](C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 1556126902 FJSYMEXXTVALSN-QGZVFWFLSA-N 446.528 4.752 30 10 IJEE C=CC[C@@H](Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1CC=C)C(=O)OC 1559307568 LCYWCFGIRJZFRO-QGZVFWFLSA-N 426.563 4.829 30 10 IJEE C=C[C@@H](Sc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)C(=O)OC 1559332706 OXIPGYCBZIXHOQ-MRXNPFEDSA-N 437.399 4.772 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1562197256 HIZUARYLQDOROL-OALUTQOASA-N 427.520 4.981 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c(Cl)c1 1563327743 WYXSOZWIFLELSU-ATZDWAIDSA-N 431.964 4.867 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C 1570575644 HNFWBTSONUPCRC-IRXDYDNUSA-N 445.000 4.525 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 1583066794 GDLUHGHPZLZFFK-INIZCTEOSA-N 433.940 4.570 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 1586497373 SVNJUQCXEGALFU-QFIPXVFZSA-N 447.579 4.737 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC2(CCOCC2)C1 1587677110 CMSJZYRMXFIWBH-QGZVFWFLSA-N 445.032 4.889 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCO[C@H]1C(C)C 1589687916 TUGJMUKEPFRVMJ-QPPBQGQZSA-N 426.605 4.937 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCC2(C)C)CC1 1594009453 KPTIGZLKZWOBAV-IBGZPJMESA-N 442.007 4.844 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nnc(CC)s2)CC1 1594014576 SWVDLPODSFXKJD-HNNXBMFYSA-N 444.992 4.690 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1594591399 VEMTUMBAUZROCO-IBGZPJMESA-N 425.577 4.652 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCOCC(=C)C)C1CC1 1595033333 FWIAHTZYNXNAIP-UHFFFAOYSA-N 431.378 4.764 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@H]1C 1595238905 ANDYVVPTVFNUCS-OFNKIYASSA-N 431.584 4.556 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2(COC)CCC2)C1 1595705564 BCMYTYRTUHBMJA-GOSISDBHSA-N 430.980 4.587 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](C)[C@H](OC)C1 1595844899 JGFGKRNYGHLQHQ-HTAPYJJXSA-N 437.613 4.582 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1611052998 NGLIKKRIUQBQFR-NRFANRHFSA-N 433.305 4.806 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cc1csc(-c2ccc(OCC)cc2)n1)c1ccccc1 1616817560 HBPHMSWRDOVDBM-LJAQVGFWSA-N 426.563 4.991 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C#Cc1ccccc1)c1ccc2c(c1)OCCO2 1628565870 SSOIKXWGJBQVKA-UHFFFAOYSA-N 425.484 4.608 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1633345105 BHRSFXIAVTZSAM-NRFANRHFSA-N 437.540 4.938 30 10 IJEE C=CCC1(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)CCCCC1 1635575724 BYGHNSUFQJHWDS-UHFFFAOYSA-N 431.627 4.904 30 10 IJEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCN1Cc1ccccc1 1636287027 AZEGKKOALPFTDV-GMKZXUHWSA-N 436.987 4.786 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1636687475 YWYYOHYNJAZLGF-IAGOWNOFSA-N 440.506 4.887 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1639668875 OJLDPPQHYUGTNS-MRXNPFEDSA-N 426.460 4.591 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 1640868694 RRZNWZIAARCSQR-QZTJIDSGSA-N 432.952 4.652 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(O)cc2)nc2sc3c(c2c1=O)CCCCC3 1643347603 UJQIPKJPTFAVSW-UHFFFAOYSA-N 426.563 4.594 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@H](C)C(=O)Nc1cccc(C#N)c1 1645023507 FWOVUKFZUGWBKN-VGSWGCGISA-N 444.501 4.895 30 10 IJEE CCC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1)OC 1649634088 HYLILSOXJJBDAV-OTPAQWSUSA-N 439.604 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)Nc2ccc(CC#N)cc2)C1 1657641025 GUOWNXJOVUMUOU-FPOVZHCZSA-N 426.561 4.786 30 10 IJEE C=CCOc1ccc(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)OC)cc1 1659759073 AKBADZSLZKWIAG-UHFFFAOYSA-N 446.334 4.820 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 1662577218 LDOZDDGDIIXGMK-KRWDZBQOSA-N 444.373 4.752 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3cccs3)cc2)cc1 1667322023 LLXHXMFIWKZXHR-UHFFFAOYSA-N 441.578 4.543 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1668042047 DXNCCOGSICITTL-VPWXQRGCSA-N 437.531 4.917 30 10 IJEE C#C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccc(Cl)cc1F 1668247005 VVAAEXFRAVOLPA-KRWDZBQOSA-N 428.254 4.686 30 10 IJEE C#CC[C@H](CO)NC(=O)Nc1ccc(Oc2ccc(C)cc2Br)c(Cl)c1 1668420344 SHEAOXKMDOTJKH-CQSZACIVSA-N 437.721 4.709 30 10 IJEE CCN(CC)CCN(Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 1670680910 BXTPPMMCDGXOHU-UHFFFAOYSA-N 442.007 4.962 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)c1 1671080233 ANNKIIMPYWLJGK-FQEVSTJZSA-N 426.542 4.583 30 10 IJEE Cc1cc(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(C#N)cc1N(C)C 1672555220 GLJLFAVTFQIMNM-HNNXBMFYSA-N 432.355 4.640 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](CO)c3ccccc3C(F)(F)F)c2)nc1 1674863620 CRZHBUAXDZEZFP-LJQANCHMSA-N 442.397 4.619 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1 1675610920 YNFMGWMFOZWMBR-RTWAWAEBSA-N 445.485 4.986 30 10 IJEE C=CCOc1ccc(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 1675861409 UCNRWEBCNRPRJX-NRFANRHFSA-N 431.939 4.680 30 10 IJEE C=CC[C@H]1N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCCC1(C)C 1677181352 QHWVIUYNFOXQTO-JOCHJYFZSA-N 433.040 4.628 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc(Br)cc1 1677692079 SGXYNOGVBRPGAG-VXKWHMMOSA-N 440.385 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCn2cc(C)nc21 1689829446 YMHDDXIGEULMRW-ILWGZMRPSA-N 446.599 4.575 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCSC1 1690038405 OLOWRZJHHNFOMX-MRXNPFEDSA-N 433.408 4.858 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](OCCC)CC1 1690166011 RBDIDTUGJNENPY-NRFANRHFSA-N 449.624 4.645 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)c1ccccn1 1690211119 TUUBMGRENQMKKA-HHHXNRCGSA-N 443.595 4.839 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690220898 DPQVAIIVMKEYRH-NVXWUHKLSA-N 437.769 4.512 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690247812 GQUBVDDKCHPYHV-HYVLGVRCSA-N 433.600 4.591 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1690251812 ZNZGMVTUMYVWEX-REWPJTCUSA-N 439.560 4.535 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1690279387 FJQWHKYJGJAKRP-IEBWSBKVSA-N 429.996 4.696 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)C[C@@H](C)C1 1690332464 ATPQWWIAPQKOPU-CHWSQXEVSA-N 439.785 4.951 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(CC)C1)c1ccccc1 1690444469 HQZWJROPEXGBGF-JYFHCDHNSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690476736 MXJMQQARKNPUIF-CGTJXYLNSA-N 449.368 4.532 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](CN(CC)CC)C1 1690478287 RRONLIUBRWMHQG-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1690497178 JLQBUKIQBDJOLF-SFHVURJKSA-N 443.979 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CCc1ccc(OC)c(OC)c1Cl 1690574367 XXRLLTAOGNWWGP-UHFFFAOYSA-N 432.977 4.754 30 10 IJEE C=CCn1c(N(Cc2cccs2)Cc2cccs2)nnc1[C@]1(OC(C)C)CCOC1 1690653134 DEONIDMWIWTWOY-QFIPXVFZSA-N 444.626 4.835 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2CCCCC2)C1 1690714468 MZMPEHDJDRFWDQ-FQEVSTJZSA-N 442.629 4.941 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCCS1 1705503395 WENKRKXKZSUDEH-UUOWRZLLSA-N 426.630 4.898 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1705535640 TZDOWONACMXHIP-UHFFFAOYSA-N 440.035 4.638 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1705695682 JRHNCYPAEXQQOQ-UTKZUKDTSA-N 443.954 4.849 30 10 IJEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1705751314 HPISSOFGQNFKJM-GFCCVEGCSA-N 432.753 4.912 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1705765093 YFWBQLFCOSSPHJ-UHFFFAOYSA-N 429.446 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)[C@@H](C)CCC)CC1 1705777886 SLDSYNVIVFQQMZ-INIZCTEOSA-N 447.986 4.692 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCc2ncc(CC)s2)CC1 1705783453 IEDYJKIQRQOHNC-UHFFFAOYSA-N 437.613 4.542 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC2CC2)CC1 1705788738 LLSJJINISBDEKO-UHFFFAOYSA-N 439.560 4.851 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705813430 HPTRYTZTCOCIRS-QVKFZJNVSA-N 437.371 4.602 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1ccc(OC)nc1 1705860278 FJJRWUXXQIAIFL-UHFFFAOYSA-N 442.567 4.527 30 10 IJEE CC(C)(C)c1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)s1 1706102286 GMLNHFYSANSCDR-UHFFFAOYSA-N 435.601 4.785 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)N(CC)CC 1722281742 VPLNKCJNEONVRG-MSOLQXFVSA-N 436.629 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(CC)c1 1722499684 DKMIIBNBYBQAEF-QGZVFWFLSA-N 428.968 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1722503213 RTABNACZQFFTBP-OAQYLSRUSA-N 437.632 4.904 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1OCCC1(C)C 1722511588 DEWDRGSOFNHUAV-JOCHJYFZSA-N 442.604 4.958 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](OCCOC)C1 1722518733 IOPNAKDUFDUSJU-QHCPKHFHSA-N 449.599 4.561 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722555704 FPVUESGHFMZKCL-SJCJKPOMSA-N 445.778 4.778 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1722560877 FWYASEGFRODYMM-GJZGRUSLSA-N 437.407 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@](C)(OC)CC1 1722587440 OOSMGDUEJIIBPQ-XMMPIXPASA-N 426.561 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1722588250 NYVWRQJQCNWSSC-NRFANRHFSA-N 435.547 4.663 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1722593213 KENLABHZFMAONC-UDIDDNNKSA-N 438.616 4.987 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1722613921 VGZGBKHXHYIXFB-HXUWFJFHSA-N 429.927 4.620 30 10 IJEE CS[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1731045881 BIKQQWPMYUAJSS-OXJNMPFZSA-N 439.963 4.957 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740567091 NUUQIVBXBIYJHW-CTNGQTDRSA-N 440.563 4.614 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSC[C@H]1C 1740568173 ZSBUHKXQOSOVQM-MOPGFXCFSA-N 428.602 4.562 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740574276 XJKHSWGEJPAVHG-QFIPXVFZSA-N 426.992 4.721 30 10 IJEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1740587638 QKVWNLGTKQGLKN-MRXNPFEDSA-N 449.584 4.673 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)[C@@H](C)C1 1740720364 WDBLLGZSKNMKBY-OALUTQOASA-N 447.048 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CCC 1740758204 VEPDOACBXFASAD-QTEQDKRBSA-N 434.588 4.737 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1oc2ccc(F)cc2c1C 1740769524 YSKNRSSHYQBYPE-DEOSSOPVSA-N 442.535 4.575 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1740788516 VLRWAIJAYCDKNY-SFTDATJTSA-N 445.007 4.975 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCOC2)C1 1740857752 AWEYDAWFXVQAIW-OAQYLSRUSA-N 431.378 4.681 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740859229 IIRPKPWNMOKMJT-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC[C@H](C)N1CCCCC1 1740916078 CHXNAAWWKKPMQV-NRFANRHFSA-N 432.616 4.874 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)s1 1740936876 MMEXWIJBXBPOTA-UHFFFAOYSA-N 439.610 4.880 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C3CC3)CC2)cc1Br 1748600799 APXRAXBXTWHDSM-AWEZNQCLSA-N 444.377 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1ccc2ccccc21 1748689913 JYMJNSNVDGZYFS-XKCSPQBFSA-N 433.600 4.700 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[C@H]1CC 1748776842 RVQUUKXRBWJVFW-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@H]1CCCCO1 1748859851 OMOMNKOUAAEORV-HSZRJFAPSA-N 448.611 4.577 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1CCO[C@H](C)C1 1748916850 GIJFFSYFECTVSP-CVEARBPZSA-N 449.368 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@@H](C)C1 1749058991 UCSMQFIOZHURPH-BXTJHSDWSA-N 449.418 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCCN1C[C@H](C)O[C@H](C)C1 1749150556 XWURIOICFPCDIJ-KDURUIRLSA-N 432.012 4.500 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC(=C)Br 1749537592 LLHYLWMIOLPAQM-UHFFFAOYSA-N 444.402 4.735 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1749762477 WIVOTTABXFUYMM-JOCHJYFZSA-N 435.597 4.533 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1760152604 RLVFLIAPJHGLFP-QFIPXVFZSA-N 434.632 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(CC)C(C)C 1760289930 UBLFCYASHGYUPF-YADARESESA-N 444.023 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1N(C)CCCC1(C)C 1760330564 HOPNPQIJNMQHBL-HSZRJFAPSA-N 447.631 4.858 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCCCC2)CC1 1760392553 UTGTUJDFVQDBAV-UHFFFAOYSA-N 429.996 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760413313 DWAFABQIEGKONG-UHFFFAOYSA-N 433.641 4.963 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1760430085 YRKSBUYUXQSSPA-SFHVURJKSA-N 429.634 4.890 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760433781 MFVARUSVBHEMDW-UKRRQHHQSA-N 437.407 4.739 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1760435042 VRVOICDTBKXLTE-UHFFFAOYSA-N 426.948 4.954 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1760442762 HVKFYJHSXJDIAZ-UHFFFAOYSA-N 445.633 4.732 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@@H]1OC 1760477504 CAQZRYALWSLCTG-PUHATCMVSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1=CCCCC1 1760488148 NBUFSSDTTIXQCP-FPOVZHCZSA-N 428.602 4.757 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CSCCS1 1760489019 MKSKMPUYKBUXOE-HXUWFJFHSA-N 426.655 4.775 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1Cc1nc(C)c(C)s1 1760499272 SXHVQWCFNHIOIO-UHFFFAOYSA-N 432.597 4.640 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCOc1ccccc1C 1760508179 MKIDNJFYGWYJLN-UHFFFAOYSA-N 433.375 4.779 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760511442 IGSBFFCPQRYEIG-INIZCTEOSA-N 436.915 4.626 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CCc2cccs2)c1 1770745736 CTTCJYLZIGFQJV-UHFFFAOYSA-N 431.487 4.900 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1772543445 WIVLRSXPYVTPNQ-SFHVURJKSA-N 441.576 4.517 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1OCc1ccc(Cl)cc1Cl 1772792913 QOHDECZYGMQSOS-UHFFFAOYSA-N 442.254 4.940 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cc(Cl)ccc2C)c(=O)cc1C(=O)O 1857890050 GDSORQLQAYZVEZ-UHFFFAOYSA-N 448.947 4.886 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1862236393 XWAYQXKPIIFVPM-YIJROUQKSA-N 432.564 4.764 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1862433260 YGXYBLGSPDMGSI-IBGZPJMESA-N 435.854 4.622 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 1862448700 SRIZUTIWTUCBMB-IBGZPJMESA-N 426.856 4.769 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(F)c1 1862524754 MKUSTOVIXIOOAM-GOSISDBHSA-N 432.289 4.823 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862539448 RXAMJMLPNZDVER-FQEVSTJZSA-N 447.362 4.696 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862583345 YTHXZKOGAWQDJV-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1862735067 BCWYSCXAFZPLSS-QFIPXVFZSA-N 446.434 4.555 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862946444 OBEJLXOOSCYIQW-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE CC(C)Oc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863110575 VRBYYCAAJNCJHJ-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1870136652 CUABVPGTAPGDCI-UHFFFAOYSA-N 430.295 4.550 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCC)c(OC)c2)cc1 1870149928 SWLKZACQDCXDIM-RVDMUPIBSA-N 445.523 4.541 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CSc1nccn1C 1870232256 KDEFJFJNKBZZDB-UHFFFAOYSA-N 436.364 4.946 30 10 IJEE CCCCCCCOc1cn(CCOCCO)c(CNc2ccc(C(C)C)cc2)cc1=O 1870837975 ILJCBSVCNJMAMY-UHFFFAOYSA-N 444.616 4.942 30 10 IJEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(C)c(F)c1 1871118241 HNSXZEAFCSXURB-UHFFFAOYSA-N 445.579 4.913 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)C1 1871354988 LUANZFXVFNXXPI-IWIPYMOSSA-N 449.595 4.561 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)C(=O)Nc1ccc(F)cc1 1871401021 RQIASAPEILXCMX-ZDXHCBJDSA-N 448.406 4.756 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)C(=O)Nc1ccccc1 1871403857 BRDLMCSUMUFTOU-PXNCGERRSA-N 430.416 4.617 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)c1 1871438742 PKCLZJIKNQGHPV-MTJSOVHGSA-N 433.485 4.893 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514645 YOBUEUWMTVMNPN-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871791801 GXGSXYBXOJVCDK-SFHVURJKSA-N 445.343 4.727 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(C)(=O)=O 1871795968 QDTVWNPPSJNXTP-GOSISDBHSA-N 427.353 4.511 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872029623 JHLYOCCARVPQJD-QFIPXVFZSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872267576 IUKVXIBJFWAERL-AVRDEDQJSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872532960 NOPJWCZMFXKKHI-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE COc1cc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)ccc1OC(=O)c1ccccc1 1873470516 JXPOQWLPHUQSPB-JVWAILMASA-N 438.443 4.887 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCCCOCCCC)ncnc21 1873608392 ZDDQJFHPLIEJOG-UHFFFAOYSA-N 443.498 4.767 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCCCCN(CC)CC)ncnc21 1873629984 DWTOTIJHNKSKQO-UHFFFAOYSA-N 448.615 4.966 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874279736 QFEXLKVBMDLFTH-FSJBWODESA-N 449.363 4.517 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(O)c(O)c2)c1 1874374902 TWXTVTJBCZTEPL-VULFUBBASA-N 448.523 4.902 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc(F)c2)o1 1874423697 ZNZGHTGUNYDBQK-SSDVNMTOSA-N 442.497 4.700 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874438846 WSXZEYDBWTWVTM-LPYMAVHISA-N 425.514 4.655 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)ccc1O 1874452952 WTDPQJQWMXTTEK-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(O)c2)c1 1874483927 VGHQVCXSSVRELK-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE Oc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1Cl 1874569059 FJQQVXYWPPCSIL-ZVHZXABRSA-N 438.940 4.973 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccccc2OCC(=O)N(CC)CC)c1 1874585988 QBWLAVWAXGOSJQ-FYWRMAATSA-N 425.525 4.627 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Br 1874616263 QDXCWDVNNZNOJJ-XYOKQWHBSA-N 430.342 4.901 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875127083 NTCJSDIIJKZLQL-UXBLZVDNSA-N 439.370 4.754 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 1875146875 KBAUMTBFYZALBO-WLRTZDKTSA-N 429.472 4.639 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OC(C)=O)c(Br)c2)c(OC)cc1Cl 1875173210 DDJCELYWOQBNTO-GQCTYLIASA-N 439.689 4.941 30 10 IJEE CCN(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 1893241138 FAWBBESDWLENHM-UHFFFAOYSA-N 430.195 4.770 30 10 IJEE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccnc1C#N 1952452015 FCSSTKMKCBFJKU-HSZRJFAPSA-N 441.487 4.644 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1953158334 RZDSYPREJGYMKB-DEOSSOPVSA-N 429.561 4.963 30 10 IJEE C=C1C[C@@H]1CNc1cc(Br)c(I)c(Br)c1 1958230226 VWJLSGXZXFLWLS-SSDOTTSWSA-N 442.920 4.804 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1976224368 FGHUYBKXGGBZIP-DZGCQCFKSA-N 446.183 4.518 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 1986261443 COSNFIWUVGGLFN-QZTJIDSGSA-N 430.511 4.829 30 10 IJEE CCN[C@@H](CC#CC1CC1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2029724500 LWELEVSASHFWNO-DEOSSOPVSA-N 439.644 4.718 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2080052595 ODSHEHJFUKPTMZ-SFHVURJKSA-N 433.293 4.635 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2082165587 LOHXXUUQQVEZJN-TUGCOKMYSA-N 446.632 4.572 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2118192580 QKNNCVOSXAPYGX-KBPBESRZSA-N 426.330 4.732 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2118193539 BKZVMTHYIJJVHN-KGLIPLIRSA-N 426.330 4.589 30 10 IJEE CC1CCC(C#N)(NC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CC1 2181051878 AYEAOUYQOCONMZ-UHFFFAOYSA-N 436.350 4.998 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNc1cc(Br)c(C#N)cc1F)C2 2182503027 CAHYTPMGIHNBMG-WRSAYESZSA-N 438.341 4.907 30 10 IJEE Cc1cnc(Oc2ccccc2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2224118323 SNJUUVJZSOQYAV-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE Cc1cc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)ccc1NC(=O)OC(C)(C)C 2224139994 QRKYULBNYKLMSX-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2235734787 XTGGTZCUVSRALQ-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(N)C#Cc2ccccc2Br)C1 2235736048 WIXWXARVABNMNA-FCHUYYIVSA-N 433.390 4.699 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)c1c(F)cccc1I 2243441422 QNJPIXMEEJNATO-IBGZPJMESA-N 425.285 4.854 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247921261 MCNAGHGMHGVBPZ-INIZCTEOSA-N 428.407 4.519 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)C1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 2250204848 XEYAPVSWQYYLJP-YZDHWTPESA-N 426.601 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)C#Cc2ccccc2Cl)C1 2252767037 BCHWFEFVFDXYPH-UHFFFAOYSA-N 439.939 4.715 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1cscc1Br 2261826775 MLVDKEXFVSXIFW-LJQANCHMSA-N 425.344 4.990 30 10 IJEE C=CCCC1(C(=O)N(C)Cc2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2266280409 CIFMZFUEBWKWTH-UHFFFAOYSA-N 443.407 4.672 30 10 IJEE CC1(C)OB(C2(C(=O)NCCc3ccc(OCc4ccccc4)cc3)CCC2)OC1(C)C 2267457888 SHODMMURZDPZPT-UHFFFAOYSA-N 435.373 4.941 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268631491 YZINPDBLRPNVAT-LJQANCHMSA-N 442.365 4.792 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2273825784 ZHPJCTKAOSFHMS-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(Cc3ccc(Br)cc3C#N)[C@@H]2C1 2290211410 YJTZAHZSCDALAL-HNAYVOBHSA-N 434.378 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](O)C#Cc3cccc(Br)c3)CCCC[C@@H]12 2296231639 GMOXIEMBSWBGGI-XQBPLPMBSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H](CC)CN1C(=O)OC(C)(C)C 2296274989 XAECIBVUEPYRFL-NSISKUIASA-N 435.406 4.814 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@H](N)C#Cc2cccc(Br)c2)CC1 2296289010 NFYJPAOBRBIKCE-COFLGROHSA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC 2296298771 NLYGPPWBLFSLOC-XUVXKRRUSA-N 435.406 4.814 30 10 IJEE O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2C=NO)cc1 2296474378 RFBCEOPXMISSBQ-UHFFFAOYSA-N 430.052 4.507 30 10 IJEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)cc1 2297060263 MDJWOBLRNRCBCW-OAQYLSRUSA-N 432.407 4.669 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2304626992 XOAISACPNBRKEQ-STWLZBDKSA-N 428.573 4.555 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1c(O)ccc2ccccc12 2318571364 IZBXVLADALLTSA-UHFFFAOYSA-N 446.532 4.660 30 10 IJEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc1c2CN(CCCCN2CCCC2)CO1 2322119003 XYDRRXYCOBWSGG-UHFFFAOYSA-N 438.955 4.984 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccccc3[N+](=O)[O-])c2C)C1=O 2323153621 LYWJQIVHRWQHTM-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccccc1F)O2 2323388325 VZJUVUZQWRLTOT-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2323472415 GRQMUPCKRHUFBX-GXBSGKDESA-N 442.600 4.992 30 10 IJEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323933770 XNXSJULOAPPNIH-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1OC(=Cc1cccs1)C2=O 2325522857 IEOIMYPOXMGIME-UHFFFAOYSA-N 427.428 4.968 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 2325716846 OFDMXSUJHQYLGV-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(=O)O)cc1 2326542316 JWXBDSUGENOQNC-UHFFFAOYSA-N 444.944 4.901 30 10 IJEE COc1cccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)c1OC 2326868083 KEMVDUZDZLMDED-UHFFFAOYSA-N 426.586 4.658 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc(OCC)c1 2327498354 FWAKMELDDRTNSH-UHFFFAOYSA-N 432.496 4.918 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(OC)c(O)c1 2328846810 OFDBLDUFZJHTLL-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(O)c(O)c1 2329713132 SKQALRNOAFCMDV-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330201574 LFJBHXPDQTXYEZ-UHFFFAOYSA-N 436.581 4.508 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)CC 2330643573 VBCIQBNYIDABLX-UHFFFAOYSA-N 448.269 4.968 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170184 MBRYRMDAEZPXOX-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(O)cc1 2331391960 ZLVTVSUMMBUJDU-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cnc(C)cn1 2331673123 AVKOMGDJEUQMNS-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE CC#CCN(C[C@H](NCCC)c1ccc(Br)cc1F)C(=O)OC(C)(C)C 2337908631 ZOSAPYXLKZLQOJ-SFHVURJKSA-N 427.358 4.889 30 10 IJEE CN(CCCCCNC(=O)OC(C)(C)C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339590132 IRNVNUKAVMCARZ-UHFFFAOYSA-N 445.413 4.857 30 10 IJEE C=C1CC(C[C@@H](NCCC)[C@@H](O)c2sc(Cl)cc2I)C1 2366647787 KCRQNLDMKOCHOX-TZMCWYRMSA-N 425.763 4.764 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(N(C)C)cc1)N2 13644069 MTMNOVHODMEYGC-PPJWLVRDSA-N 449.620 4.942 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccs3)n2)cc1 20834170 ZHXBJNMTUNGGGK-CNRHGSOZSA-N 428.587 4.947 30 10 IJEE Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCN(C)CC3)/C2=N/C2CCCCC2)cc1 22937240 RFMPPYYNFHWXFK-UPIHBEMDSA-N 436.644 4.639 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccccc2OC)c1C 32971768 MXNQFTMNFBAPKG-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)cc1 40077116 WHPDEYTVGOKKQS-LJQANCHMSA-N 444.325 4.836 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(Cc1ccc(F)cc1)CO2 41650115 OOIKPGNZFNMZRM-RMORIDSASA-N 445.446 4.831 30 10 IJEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 100153477 QADXJNAPGSKOBM-UHFFFAOYSA-N 437.584 4.676 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(F)cc2)no1 102718953 WXRBVCMDSGCNNP-AGGMBTAESA-N 436.439 4.536 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)ccc1F 169964513 ZKLXPJXKLPWXAG-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(C)c2)cc1 169972141 OOWDDZGYCWQMED-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccncc2)cc1 170016538 JIBVFEYQHAVJPB-JOCHJYFZSA-N 443.459 4.896 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 170049976 ANURMWWTLBGXJO-QHCPKHFHSA-N 427.456 4.761 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OCC)c1 170127707 LAWMXFZTKKUFGI-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2)c1 170221321 PJZVMSMIKHAGDI-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1 170237114 FSXFIENUPICYAQ-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1F 170247483 LPMSTPMUASSAMX-HSZRJFAPSA-N 437.511 4.708 30 10 IJEE NC(=NO)c1cc(F)c(N(Cc2ccccc2)Cc2ccccc2)cc1Br 309755491 WXDFUOCAOKUDEM-UHFFFAOYSA-N 428.305 4.890 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 409479708 YJPYSQTWYHJYTO-ZDUSSCGKSA-N 435.293 4.776 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)OC 477721813 ORXDFAMDPAWXFF-UHFFFAOYSA-N 438.450 4.880 30 10 IJEE O=C(N[C@@H]1CCCC(F)(F)C1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 488958738 XRLYFAUVZSXJSJ-SNVBAGLBSA-N 435.311 4.877 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 503028936 FBXLNGBKKYKNDS-SFHVURJKSA-N 438.962 4.543 30 10 IJEE C=CCn1c(COc2ccccc2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 508834491 UXFZRLXAHPNAPH-UHFFFAOYSA-N 427.552 4.764 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 508890038 VITYZDUQRPFXHE-FQEVSTJZSA-N 445.611 4.585 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2cccc(C)c2C)CC1 508905322 ZJLWCLPBWDWNOK-ZCYQVOJMSA-N 443.595 4.653 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508997973 SHUBIZMRGJPNHK-GOSISDBHSA-N 436.466 4.534 30 10 IJEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Br)ccc1O 526808639 YUEPIKMVJLTXCB-NHDPSOOVSA-N 431.359 4.792 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 549644831 DQPYVVKEHCDWAY-UYAOXDASSA-N 446.530 4.934 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(Oc2ccc(F)cc2)CC1 573391240 GURDZALIGPGZRG-QHCPKHFHSA-N 434.515 4.717 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@@H]4CCCC[C@@H]4CS3)COC2)cc1 705692333 ORRZZOWNVBPAQC-DNQXCXABSA-N 435.637 4.709 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(c2cccc(Cl)c2)C(=S)N[C@H]1c1csnn1 731431074 QOOIORPPXCSHLA-IBGZPJMESA-N 440.981 4.936 30 10 IJEE COc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2cc(Cl)ccc2OCC#N)c1 766123067 YFECIUXFUGLIOF-DEOSSOPVSA-N 436.939 4.987 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1=S 790461175 ROGWFBGZLXMZJH-MRXNPFEDSA-N 425.524 4.920 30 10 IJEE C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 795331952 IILDQWUJKYKSHX-AVRDEDQJSA-N 431.561 4.552 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 802562520 PKIOJWLEKWRZEY-IEBWSBKVSA-N 443.592 4.861 30 10 IJEE C#C[C@H](N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N)C(C)(C)C 807935705 TXCNTOZEUQEMCZ-SFTDATJTSA-N 444.560 4.566 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCCN(c2ccc(C)cc2)CC1 809894265 ALQBRWGBWHEICR-UHFFFAOYSA-N 449.624 4.790 30 10 IJEE CCCC[C@H](CC)OC(=O)CSc1n[nH]c(NN=Cc2ccc(N(CC)CC)cc2)n1 1084582790 NXWZPDAFHHJRFW-IBGZPJMESA-N 446.621 4.701 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(Br)c(OC)c(OC)c2)c1 1125778654 RHAKOIATKWJYFW-UHFFFAOYSA-N 440.293 4.888 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(F)c(F)c1 1128248527 DUQIXFPFCBZQRZ-YOEHRIQHSA-N 430.442 4.591 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1OCC 1137311707 SMWWGEGHKSOFGR-AWEZNQCLSA-N 447.757 4.822 30 10 IJEE C#C[C@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1ccc(F)cc1 1141325816 WOFHOYZTZIHKFQ-SFHVURJKSA-N 443.544 4.501 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(OCC)c(OCC)c1)c1ccccc1 1143126879 OUVAMYDENLFAOS-QHCPKHFHSA-N 427.500 4.819 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H](Cc3nccs3)C2)s1 1155775692 BDLCDUWOFSDERK-AWEZNQCLSA-N 428.048 4.776 30 10 IJEE C=CCn1c(SCc2cc(OC)ccc2OC)nc2sc3c(c2c1=O)CCCC3 1164599099 ILPXHUXPMUKENE-UHFFFAOYSA-N 428.579 4.832 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)Cc2ccc3c(c2)c2ccccc2n3CC)c1 1167050338 YOXZBLXBAKTCGV-UHFFFAOYSA-N 438.531 4.576 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccn(Cc2ccccc2)n1 1219086833 PXYCQKYNBJIUQM-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE CCOC(=O)c1c(NC(=O)N2CC=C(c3cccc(Cl)c3)CC2)c(C#N)cn1CC 1219176216 DRSOTWOPBZKONB-UHFFFAOYSA-N 426.904 4.531 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CCCc2ccccc21 1221901721 VGQYTOWEFXSSAK-PZJWPPBQSA-N 439.506 4.589 30 10 IJEE C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1225596677 DVORMBUUCMEALK-INIZCTEOSA-N 426.358 4.841 30 10 IJEE C=C(CC)CNC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 1230063968 XSMJIMRLZQAARV-SFHVURJKSA-N 427.408 4.701 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 1251988272 HVCOUFKROOCQRH-HSZRJFAPSA-N 433.943 4.698 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)c(OC)c1 1270952896 VGYGDWYXWIXKMM-UHFFFAOYSA-N 426.419 4.907 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Br)c(F)c2C)CCCN1C(=O)OC(C)(C)C 1278849983 DCDOSUHGVQKKIC-HXUWFJFHSA-N 439.325 4.628 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC(F)(F)C1 1286436597 OMXAZEIPBDVMQY-ZDUSSCGKSA-N 441.295 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1286516954 MARXEUULVFTQPJ-AREMUKBSSA-N 448.567 4.834 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](CC(C)C)C1 1286602042 SDAREQTVGRJTQX-OAQYLSRUSA-N 439.604 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1286671390 QVKHDNOPFAMRNK-UHFFFAOYSA-N 435.616 4.855 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ccccn2)CC1 1286673930 JLOGBQMACASKKE-UHFFFAOYSA-N 444.627 4.777 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1286692122 AXLFJLDWUHYMJK-INIZCTEOSA-N 433.959 4.513 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286693144 USHFXVJAOHWVQO-IBGZPJMESA-N 429.996 4.696 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286696001 QAVOIBLMJCSHLX-RTWAWAEBSA-N 440.588 4.712 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1286731053 XXJABAWWPWSYJL-OALUTQOASA-N 446.039 4.889 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1286735431 ZSCHVCORXADBHT-MRXNPFEDSA-N 429.565 4.504 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCOC[C@H]1C)C1CC1 1286739417 BSRAATJPLHJSBK-WOJBJXKFSA-N 438.616 4.982 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286755930 MVERGGFOXSJGGF-SFTDATJTSA-N 437.632 4.574 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C1)c1ccsc1 1295396136 BMLJCZSSSWTOKA-AVRDEDQJSA-N 434.613 4.808 30 10 IJEE CNc1ccc(C#N)cc1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 1296943485 FRGXECCZEOHXCU-UHFFFAOYSA-N 426.307 4.833 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccnc(SCC)c1 1300441509 QBFFAHIZFUAOMC-MRXNPFEDSA-N 437.638 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CCCC 1300876650 UVTTXGSRHQGKJQ-IRLDBZIGSA-N 439.604 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCn1cc(C)cn1 1300925409 UZCFUBSKZBULLP-UHFFFAOYSA-N 449.386 4.771 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 1301165953 NIIQOYNDZGYIHQ-DHIUTWEWSA-N 435.616 4.647 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1F 1301202767 QKJBVGWCQMGETH-UHFFFAOYSA-N 432.341 4.820 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC1(SC)CC1)C1CC1 1301320853 PVKFHKHWKHNWIO-UHFFFAOYSA-N 437.382 4.897 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)s1)C1CC1 1301331780 UMTWHVVCVOGHLQ-IBGZPJMESA-N 443.617 4.923 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CCSC(F)(F)F)C1CC1 1301331812 VSUMHQHQHLJPSC-UHFFFAOYSA-N 432.899 4.918 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1cnc(C)s1 1301342526 WSCSMGJWFBBAFH-UHFFFAOYSA-N 432.597 4.888 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1CCc1ccccc1C(F)(F)F 1301394339 NMZNYUYSMVJSKM-UHFFFAOYSA-N 427.474 4.704 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(Cc2ccccc2)CC1 1305475917 AJZRFNXLISSVEM-HFZDXXHNSA-N 434.632 4.834 30 10 IJEE CN(CCC#N)CC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 1307509147 AMTAGEGNCNHJIW-YUEZXFGGSA-N 448.517 4.933 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(CCc2ccccn2)Cc2ccc(F)cc2)cc1C 1307531224 ICSKBFZPRBJQNM-UHFFFAOYSA-N 444.554 4.829 30 10 IJEE CCOc1c(Br)cc(Br)cc1CNc1n[nH]c(C2CC2)c1C#N 1308429823 GIFNWKPMLWSAQW-UHFFFAOYSA-N 440.139 4.695 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(-c2nnnn2C)cc1)c1ccc(C(F)(F)F)cc1 1311000374 OMAVKOVIAAYYEO-GOSISDBHSA-N 430.434 4.725 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 1311999915 OVCDBTSCPILUCP-UHFFFAOYSA-N 445.357 4.767 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1F 1312231709 RZOPHIYLGPKZRE-ADLMAVQZSA-N 441.703 4.985 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)C1 1320184174 BVCSUVQCHRFIAY-GOSISDBHSA-N 431.330 4.837 30 10 IJEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)c2C#N)C1 1348984231 ACHXFWADODTHKV-QGZVFWFLSA-N 448.592 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(NC(C)=O)c1 1358877449 FCZLNVFUZGJKPV-QGZVFWFLSA-N 447.608 4.740 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(C)cc1 1359019896 LGERKZCPOMDESL-UHFFFAOYSA-N 448.636 4.913 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1c(CC)noc1C 1359109673 KGPVDQHABQNILD-UHFFFAOYSA-N 429.952 4.917 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCO[C@H]1CCCC[C@@H]1C 1359110055 YVIFHEIBANDKKL-ICSRJNTNSA-N 426.561 4.672 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1359160056 KVSLWHUMOJNTDS-HKBOAZHASA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1359184694 XCYCQABBPPNJCW-HOTGVXAUSA-N 433.394 4.924 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1359220369 XBHKMDNCBCRPFP-UHFFFAOYSA-N 447.583 4.883 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1Cc1nc(C(F)(F)F)cs1 1359262668 APIWMSWXEDRBMT-UHFFFAOYSA-N 425.505 4.933 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC(F)(F)Br 1359263355 ZDVCNTWEJYZZJB-UHFFFAOYSA-N 440.317 4.582 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1ccc(OC(C)(C)C)nc1 1359269754 OJRGNQWJJANVRZ-UHFFFAOYSA-N 433.556 4.753 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1359284109 QWIVRECRXRMDFN-DLBZAZTESA-N 437.357 4.673 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1359342061 NXAPVLORJYXTSB-SFHVURJKSA-N 431.675 4.800 30 10 IJEE CC(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H](C)CN1CCCCC1 1359785925 FHJDAPFAPDZOML-OAQYLSRUSA-N 434.632 4.639 30 10 IJEE C#CCN(C(=O)CC[C@@H]1CC1(Cl)Cl)[C@H]1CCOc2ccc(Br)cc21 1435175761 NLCFFJCRHGWFQY-DOMZBBRYSA-N 431.157 4.709 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c(OC)c1 1436452806 XKOQAFSPGLDLRB-AOMKIAJQSA-N 449.469 4.810 30 10 IJEE Cc1ccc(-n2nc(Br)cc2C(=O)Nc2cc(C#N)c3ccccc3n2)cc1 1459903765 HMOSXRVYSHQRLX-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(CCCC)cc2)C1)c1ccc(Cl)cc1F 1460792891 YTDIMKFMPLGMAB-VGSWGCGISA-N 426.919 4.665 30 10 IJEE C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1463794867 LGSWPDQWSZUSNQ-ROOORRATSA-N 432.326 4.945 30 10 IJEE CC(C)Oc1cc(Br)cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 1465503469 BOEUDOGKEACDCF-UHFFFAOYSA-N 444.329 4.855 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)c1 1467518738 DFTSJRHKVMDDCJ-LJQANCHMSA-N 438.528 4.714 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(OCc2ccccc2)c1 1469466294 VGPVXOXJKFNYPG-HXUWFJFHSA-N 425.529 4.849 30 10 IJEE C=CCN(CC(=O)NC1(c2ccccc2)CCC1)Cc1cc(Br)ccc1F 1473141125 NMWKWDQQJZTHNF-UHFFFAOYSA-N 431.349 4.772 30 10 IJEE CS(=O)(=O)Nc1cccc(CNc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1 1474190691 AMHVECBDZOKCHB-UHFFFAOYSA-N 444.372 4.960 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 1475216088 GRECHPXXZGJHGR-GOSISDBHSA-N 437.334 4.588 30 10 IJEE Cc1cc(NC(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)c(C#N)cc1N(C)C 1476702457 ATSHRQPSPVPROQ-UHFFFAOYSA-N 436.947 4.554 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)c1ccccc1 1478257747 PBUNNBRCVZAUBA-QFIPXVFZSA-N 427.976 4.754 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccc(F)cc1 1478760598 OUHKXEVKNWUODS-VXKWHMMOSA-N 439.531 4.628 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC[C@H](O)C2)cc1 1492461368 CYVHXRGPXLYGNV-MZLICYQSSA-N 439.629 4.560 30 10 IJEE COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)CC#N)cc1 1504265067 CQZGSEOXGADPLD-CYBMUJFWSA-N 446.374 4.564 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1Cc1oc(CC)nc1C 1507702222 HBZGYBUSBASILZ-UHFFFAOYSA-N 449.555 4.616 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1507904303 MGHUELSFHIBZNK-BVAGGSTKSA-N 438.616 4.822 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1508036946 HJGXJROEMSOCOV-PMACEKPBSA-N 447.505 4.824 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ccc(Br)cc2c1 1520902334 AJJBJTSDROLOCO-UHFFFAOYSA-N 436.353 4.678 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3cc(Br)ccc3C2)CCCN1C(=O)OC(C)(C)C 1521794673 UOXYGLUKDRHWMI-QFIPXVFZSA-N 449.389 4.680 30 10 IJEE C#CCN(C(=O)C[C@H](C)c1cccc(OC)c1)[C@H]1CCOc2ccc(Br)cc21 1521818269 BFTURVQGQPEQDZ-KKSFZXQISA-N 442.353 4.937 30 10 IJEE C=CC[C@H](CC)NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 1524814828 BTFNMFQZHWUDDF-QRJOEMBSSA-N 436.552 4.659 30 10 IJEE Cc1nc(SCC(=O)NCC2(c3ccc(F)cc3F)CCCC2)c(C#N)c(C)c1C 1529460680 BFICGCHJXKTWSS-UHFFFAOYSA-N 429.536 4.877 30 10 IJEE C=CCC[C@@H](C(=O)Nc1nc2ccc(I)cc2[nH]1)c1ccccc1 1533729893 CWCQRSBDEOGTFG-OAHLLOKOSA-N 431.277 4.856 30 10 IJEE CCn1ncc(Br)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 1534829017 GEVMLSSHTJJNKA-UHFFFAOYSA-N 425.286 4.890 30 10 IJEE C=C(CC)CNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 1536092559 KJRRMPAQRNHLGD-UHFFFAOYSA-N 426.748 4.654 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C)cc1 1537697290 MBVBTORDLZESPF-UHFFFAOYSA-N 434.496 4.786 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 1538455591 GJDYHCGRVDBXAO-UHFFFAOYSA-N 437.805 4.904 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1C[C@H](C)C[C@@H](C)C1 1539154597 LGJIWEXMICKXGQ-WOJBJXKFSA-N 439.673 4.713 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCO[C@H]1C(C)C 1539161478 MGKANMUVQJGHNL-RDPSFJRHSA-N 448.567 4.638 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(Cl)ccc1I)c1ccccc1 1539185343 CCDIAYHWRKTHEC-QFIPXVFZSA-N 445.709 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(F)(F)F 1539541868 NSNRDQPBZZPKPG-QGZVFWFLSA-N 444.299 4.616 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c1 1539557899 JEWMYFMKDXEBSH-UHFFFAOYSA-N 425.466 4.924 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1539586214 JPJTYSVZPISPSH-QGZVFWFLSA-N 428.334 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)c1nccs1 1539658997 FXYMYRUSVBIMIC-MRXNPFEDSA-N 427.574 4.625 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C2(CCC2)C1 1539701483 IXMGKYRUZSRQGQ-PMACEKPBSA-N 443.636 4.985 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2nnc(C)s2)CC1 1539832364 SFSGUTBWKXCSMQ-INIZCTEOSA-N 442.564 4.506 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCSC2)CC1 1539894578 MCWPSCZPTZHNCK-OAQYLSRUSA-N 426.630 4.618 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CC(=C)Br)CC1 1539896919 XGKICPNPVWTGPJ-UHFFFAOYSA-N 431.378 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)S[C@H](C)C1 1539905527 BNUOTVNBNLPRCZ-ZIAGYGMSSA-N 438.439 4.968 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(C(C)C)n1)C1CC1 1540102141 STJVWEVTQKAWIM-UHFFFAOYSA-N 428.993 4.971 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1540102690 QCMOYHKRDVJHTN-BGYRXZFFSA-N 437.632 4.865 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1Cc1cnc(C)s1 1540120585 TXPYRAAZDQFHQS-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(OC)CC1 1540880193 AJDCZDRKNLPESG-RUZDIDTESA-N 426.605 4.875 30 10 IJEE C=CCSCCn1c(N2CCSC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1540922419 NQVUBRUTIAFJAW-UHFFFAOYSA-N 428.671 4.999 30 10 IJEE CC(C)(C)CCCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1541191039 CCOWPHFJPLUDMB-UHFFFAOYSA-N 426.584 4.739 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(OC)c1O)c1ccc2c(c1)OCCO2 1543115114 HEIVJPHOVWRXHM-UHFFFAOYSA-N 447.487 4.584 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCC(C#N)CC1 1543376796 HTSXBRLEVONQGD-SFHVURJKSA-N 432.572 4.602 30 10 IJEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCC)CCC2)C1 1546808438 GFEHGMHVMRVIDL-QFIPXVFZSA-N 448.615 4.672 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(CCN(Cc3ccccc3)CC2)C1 1559869711 BSTZCBUJKYSCPY-QFIPXVFZSA-N 437.653 4.639 30 10 IJEE Cc1cc(NC(=O)[C@@H](C)N2CCC(c3ccc(C#N)cc3)CC2)ccc1Br 1560182326 IBTIJXRRVPKMAF-MRXNPFEDSA-N 426.358 4.836 30 10 IJEE O=S(=O)(NCc1ccc(F)cc1C(F)(F)F)c1cc(C(F)(F)F)ccc1Cl 1561125992 FPTLWTVTTJRZAQ-UHFFFAOYSA-N 435.748 4.995 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc(Cl)cc1 1563436463 CDRYPMUXOCTDIT-WOJBJXKFSA-N 434.342 4.943 30 10 IJEE C#CCN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCCc2ccccc21 1564642571 NCMPVUZJHVXKMG-VQTJNVASSA-N 443.316 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1sccc1C 1587579335 FGLSNVSFRRKYCG-AWEZNQCLSA-N 445.386 4.592 30 10 IJEE C=C(C)CCNC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl 1587881207 CRDFFIQZUIFXRO-UHFFFAOYSA-N 441.380 4.905 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCC1(C)C 1588104909 CSVQUUFJMVGHFD-LJQANCHMSA-N 439.401 4.915 30 10 IJEE C=C[C@H](CC)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1588118378 DNSBXCMWKOGZEX-YUSFRKCESA-N 427.353 4.748 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1cc(Br)cs1 1589528863 IUZXPPBQXQTNEX-PBHICJAKSA-N 437.407 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1589599981 QYLBIJZHNLJMSY-ZILOHOTNSA-N 428.552 4.590 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC2CCOCC2)CC1 1594070205 AFDJCOUJZZXJAX-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1594070436 FVLVEZYVXYRKIW-HXUWFJFHSA-N 437.588 4.749 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2CCOC2)CC1 1594209179 TUZIACHJLNVEQC-KRWDZBQOSA-N 431.378 4.537 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1594535006 PDOKQSQHOZSSJX-PZJWPPBQSA-N 440.563 4.970 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(F)(F)C1)C1CC1 1595027152 YSYITTPSKHWUTE-ZDUSSCGKSA-N 440.336 4.636 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCOC2(CCCC2)C1)C(C)C 1595170577 DYTPBHUYRRLBCN-JOCHJYFZSA-N 443.680 4.715 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1595377287 YXVFXPGRMZKZGI-APWZRJJASA-N 445.995 4.914 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1 1603011173 DXQRPYUIXXCZHV-HSZRJFAPSA-N 437.588 4.560 30 10 IJEE C=CC[C@H]1CCN1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1603353232 SJFXCWMWPFRQKG-IBGZPJMESA-N 434.565 4.520 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCC=CCC2)c1 1616697343 DVOGNKCPIYZTND-UHFFFAOYSA-N 444.984 4.950 30 10 IJEE C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(-n2cccn2)cc1 1616737711 DNYGOLZWOIFMRL-SJORKVTESA-N 433.581 4.610 30 10 IJEE C=C(Cl)C[C@@H](NCc1cc(Br)c(C)cc1Br)C(=O)OCC 1621478538 CKSHVJMGISDNGC-CQSZACIVSA-N 439.575 4.684 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1 1625151109 YVPAWSKGXSERFD-UHFFFAOYSA-N 427.448 4.601 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](O)c1ccccc1Cl 1625538119 DBOBODQGZOPYMI-MRXNPFEDSA-N 425.710 4.522 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(Cl)cc1F 1625630813 ZETDEMGOFMCCHZ-CZUORRHYSA-N 447.747 4.804 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1626007600 TZAVISFKBHQGMA-AABGKKOBSA-N 436.980 4.649 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3Cc4cc(Br)ccc4C[C@@H]3C)cc21 1627746306 GCFDRZPUSWEPTR-AWEZNQCLSA-N 425.330 4.964 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)[C@@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3O)cc21 1627746644 OINREBWLXQEAMS-VQTJNVASSA-N 431.323 4.651 30 10 IJEE C=C(C)COc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)c1 1627924326 HGNPLXOYNUXFRH-XMMPIXPASA-N 430.504 4.847 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCCCC)Cc2ccc(Cl)cc2)c1 1629532005 IBRYZZHDCNMJPH-UHFFFAOYSA-N 431.985 4.970 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 1630616726 CBHSNAILPZQUNV-KRWDZBQOSA-N 437.968 4.579 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 1631792718 PQPPMDYGCKZBDF-UHFFFAOYSA-N 447.362 4.896 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 1632268958 WNZLYPTUYBOBAI-LJQANCHMSA-N 441.597 4.944 30 10 IJEE CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1633106896 DOUDMAJYOBAXFP-GOSISDBHSA-N 440.975 4.729 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 1636631467 MOJYUAJTPCBAGP-HXUWFJFHSA-N 434.367 4.865 30 10 IJEE C=CCOc1cccnc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1636890905 FZEPEMKSLZHMKS-RUZDIDTESA-N 447.966 4.847 30 10 IJEE C#CCN(C(=O)c1sc2ccc(C#N)cc2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1638331217 NPURCPGSYMPCPW-UHFFFAOYSA-N 437.565 4.556 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)CCCC1(C)C 1639766769 XUULMYGTBLCPRY-QFIPXVFZSA-N 446.547 4.704 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)C1 1641029781 LHJQDTAUMGRGBB-KDOFPFPSSA-N 429.413 4.660 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 1641303017 UNKILVNVWVIURP-NHYWBVRUSA-N 449.748 4.801 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)n(-c2ccccc2)c1C 1642929988 ATVKNDXGESMRPJ-CLIRFAGPSA-N 448.611 4.556 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(Cc2ccc(Br)cc2C#N)C1 1654771146 HZFJSNKEWUHYER-LJQANCHMSA-N 442.357 4.777 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cccc(Br)c2Cl)cc1 1656933234 LRLAUGITUQESLQ-UHFFFAOYSA-N 429.767 4.521 30 10 IJEE CCOc1ccc([C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C(C)C)cc1OCC 1658008395 FLHMHXKDLIIRGR-HSZRJFAPSA-N 429.948 4.934 30 10 IJEE C=CCOc1c(Br)cc(CNC2CCN(c3ccncc3)CC2)cc1OCC 1658154147 GGXJJKPLWZEMEA-UHFFFAOYSA-N 446.389 4.566 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)c(Br)c2)c1 1660031202 HNCHYQOGALZFOW-UHFFFAOYSA-N 444.325 4.965 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)c1 1666342984 RLIROFHANWXAQI-UHFFFAOYSA-N 433.199 4.892 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1667821596 LWCPQQTWVAEHSP-SFHVURJKSA-N 447.457 4.816 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CSCc2ccc(Br)cc21 1669536341 IFYIKZOBBZTEJK-QGZVFWFLSA-N 435.318 4.710 30 10 IJEE CC(C)(C)c1cc(NC(=O)NCc2cnccc2C(F)(F)F)n(-c2ccc(C#N)cc2)n1 1671278864 FQTZPVSIHLMCBM-UHFFFAOYSA-N 442.445 4.777 30 10 IJEE CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)n[nH]1 1671278942 IELSCPZXEYAXRO-LSDHHAIUSA-N 434.548 4.556 30 10 IJEE C=C(C)[C@H](NC(=O)NCCCCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1671851748 JKFPKUNDQPZZBA-IBGZPJMESA-N 425.520 4.966 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)C1 1673875566 CPUHQWPAYPEEOD-AUSIDOKSSA-N 445.563 4.762 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc(Br)cc1 1674026270 WBSQWDNEQDBUOC-SJLPKXTDSA-N 433.733 4.640 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1Br 1674452214 HHPJJRRCNXIRRM-SUMWQHHRSA-N 434.359 4.556 30 10 IJEE C#CCN(C(=O)Nc1c(C)noc1C(C)C)[C@@H]1CCOc2ccc(Br)cc21 1674863439 WYWGMINMSYCZLI-MRXNPFEDSA-N 432.318 4.860 30 10 IJEE C#C[C@@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)c1ccc(Cl)cc1F 1681743277 MSNZXKCKNFBJMH-QGZVFWFLSA-N 448.723 4.939 30 10 IJEE C=CCCCCNC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1681816726 YBXYKJZCRGGQMA-FQEVSTJZSA-N 443.588 4.935 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 1682356830 NYVWEHQLUPVECQ-HKBOAZHASA-N 445.332 4.560 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 1687011327 TYBCNQHQGBALEB-DNQXCXABSA-N 447.579 4.625 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1689824045 GJOHHADZWMLVDE-LNLFQRSKSA-N 447.505 4.899 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1689901268 HDGQCXYFNOHQKI-HXUWFJFHSA-N 430.556 4.887 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ncc(CC)s1 1689913304 LIAFDJMIIVGEIC-MRXNPFEDSA-N 427.549 4.626 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1690001365 JNWDNQDYPIOPMY-CTNGQTDRSA-N 443.620 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnn2ccccc12 1690258402 FGBVVOKXJLIGSB-UHFFFAOYSA-N 438.482 4.645 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1690264603 XZKAJODSWQYRGV-LEWJYISDSA-N 432.012 4.878 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(Br)o1 1690295607 DZPRDBMHHBCLIQ-UHFFFAOYSA-N 431.334 4.734 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC2CCN(CC)CC2)CC1 1690404814 SRAPEVLAWSYTIL-UHFFFAOYSA-N 429.012 4.518 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)CN2CCCC2)CC1 1690412089 CNVDDCOGIGRFNV-UHFFFAOYSA-N 443.586 4.672 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1690464832 LGWFMMTYGJLXEM-UHFFFAOYSA-N 443.599 4.579 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1690491771 IHGSBNMKCYKJKG-OAQYLSRUSA-N 430.980 4.872 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1690515782 UJTDSXJOFFUBHN-LPHOPBHVSA-N 432.515 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCc1scnc1C 1690569831 NPHFJKKRIFRRDL-UHFFFAOYSA-N 434.544 4.679 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC[C@H](SC)C1 1690631293 ZXEHKOUUMJVFIJ-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE CC(C)c1csc(Cn2c(CCCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)n1 1691621718 BMFRYERWBKZKCH-HSZRJFAPSA-N 438.576 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](CC)c1ccccc1 1705480580 TUECPLSIVMKMPB-IAGOWNOFSA-N 440.389 4.698 30 10 IJEE C#CCCCCn1c(-c2cnccn2)nnc1N(Cc1cccs1)Cc1cccs1 1705514411 VQJXRGPLOYRFQY-UHFFFAOYSA-N 434.594 4.868 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CC1CCC(C(F)(F)F)CC1 1705577810 URCRJOFQGNEIRA-UHFFFAOYSA-N 428.502 4.949 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H]1CCSC1 1705664302 MERUVSGDHWRPLY-IBGZPJMESA-N 444.670 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCCOc1ccc(F)cc1 1705699863 MMGFHIOWCDRZFI-REWPJTCUSA-N 442.579 4.961 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](CC)C1 1705730420 KDELYXGEMOCRRX-RTWAWAEBSA-N 444.645 4.959 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccc2C)CC1 1705778440 WJYYSEYAQVQWSE-UHFFFAOYSA-N 440.389 4.989 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(c2ncccc2F)CC1)c1ccccc1 1705795267 GJXGVQWDEOPFLI-OAQYLSRUSA-N 434.563 4.622 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1705797612 ZBBQZSJFEYCQFR-ZJSXRUAMSA-N 431.584 4.953 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCC(F)(F)C1 1705840373 LMSMAISHFJVHSH-SFHVURJKSA-N 426.515 4.969 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CCc1nccs1 1705857702 ZVNUYPMMMBDFOL-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCNC(=O)OC(C)(C)C 1705861831 QHMRIIJPWYYODD-UHFFFAOYSA-N 425.577 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1705864522 DXFQGQBAXTYNJS-WWNPGLIZSA-N 442.579 4.913 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(C)c1C 1705887184 RZPJLCQWJKCBEX-KRWDZBQOSA-N 428.968 4.553 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCSC2)C1 1705921245 OJUYLLZNELRROT-SJLPKXTDSA-N 449.020 4.532 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CC(C)C)CC2)C1 1705923956 QZQJDZDFGMMLRD-SFHVURJKSA-N 430.543 4.755 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccs2)CC1 1706241814 BOEZZMZNDOEVQV-UHFFFAOYSA-N 434.613 4.887 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)c(C)o1 1707043729 GRALHRZQDQXEEG-GKVSMKOHSA-N 445.523 4.725 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccsc1 1710019288 BKAWIYUDYSMEOV-REWPJTCUSA-N 437.617 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCOC1CCCCC1 1722399237 RHZHEABKHDDQAT-UHFFFAOYSA-N 443.595 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCCCC1 1722499975 GEECFYOBYLZYEF-HXUWFJFHSA-N 429.584 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCC(C(F)(F)F)CC1 1722504350 HIKQEZYJBDVIKN-NGICGMGXSA-N 444.542 4.701 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)CCC)C1)c1ccccc1 1722539999 GRHWGKLPDDFYNO-QFIPXVFZSA-N 449.624 4.529 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1722551721 CBASDALIOKQZGR-OFNKIYASSA-N 437.975 4.621 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCSCc2ccccc2)CC1 1722567158 NCJYUPCVCCUDES-UHFFFAOYSA-N 425.627 4.724 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722577773 QCJOXLRCGFQWGV-XJUOHMSHSA-N 429.653 4.680 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 1722596718 MUXGXPQHRJMRBX-HXAGEGRHSA-N 438.616 4.611 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722655288 ASJWTASMZUOEDD-RBUKOAKNSA-N 427.593 4.897 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCCC3)nnc2N(C)Cc2ncc(Cl)n2C)cc1 1722705362 BUIRHSFFZIMEOP-UHFFFAOYSA-N 440.979 4.572 30 10 IJEE Cc1nc(CCn2c(CC(C)C)nnc2N(Cc2ccc(C#N)cc2)C2CC2)sc1C 1724084039 ATCRWCYGEJTGDQ-UHFFFAOYSA-N 434.613 4.833 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(-c2ccsc2)nc1 1740560369 HOALFBPCAPHQHR-LJQANCHMSA-N 443.576 4.529 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC2(CCOCC2)C1 1740568581 ZORFTXFLXLCNQU-UHFFFAOYSA-N 443.389 4.518 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC1(OC)CCC(C)CC1 1740675467 DAVGUBVOFPOLAD-UHFFFAOYSA-N 426.580 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC(O)(CCC)CCC 1740734359 ZQQUYVDDHHFMPZ-RUZDIDTESA-N 438.616 4.797 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1740743995 KARJMAYYRWFTHK-UHFFFAOYSA-N 431.378 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCc2cccc(Br)c2C1 1740751930 QAAWRGKLPZLJHY-XLIONFOSSA-N 445.405 4.708 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740780211 LJVBMEHYCVSRQQ-UXHICEINSA-N 435.572 4.612 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](SC)C1 1740785978 KYAOPAWQANPFIH-MSOLQXFVSA-N 435.638 4.648 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)nc1 1740920830 HEWXGHXKBHNYEM-LJQANCHMSA-N 441.938 4.601 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740934019 OTCZUHDVOMKAOL-BOCITWAFSA-N 443.680 4.886 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CCC 1740996614 FXBKFMROMUZBJZ-AWEZNQCLSA-N 426.428 4.590 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1747492363 BEPJLJVQROBGMJ-ICSRJNTNSA-N 427.643 4.682 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1748641501 HYVCUOZHPLATJZ-NTLWEQJWSA-N 428.964 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)C1CC1 1748668706 OKMPXZNXVUJYOP-RBUKOAKNSA-N 443.636 4.677 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CCOC)CCCC1 1748912319 CBOYOKQQICRHGK-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(OC)cc1 1748914267 HOZGBXDDUQDSCR-SFHVURJKSA-N 434.609 4.842 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1749026796 QGFZZMCVLHVOKZ-CQSZACIVSA-N 447.942 4.836 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N(C)C1CC1 1749091885 HAWQEAIWMOIIMA-UHFFFAOYSA-N 435.366 4.640 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2oc(CC)nc2C)CC1 1749288304 QUNIOMNTGYXOCU-UHFFFAOYSA-N 429.471 4.610 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1749383449 XOOJIBSRNXVYDW-GHTZIAJQSA-N 447.549 4.978 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCOC(C)(C)[C@H]1C 1749408051 DWMNILPJHVSGED-GOSISDBHSA-N 430.618 4.939 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1Cc1nc(C2CC2)cs1 1749576655 RNAZYVYNZFPJHW-UHFFFAOYSA-N 427.524 4.708 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC1(c2ccc(F)cc2F)CC1 1749579426 PBOVXAZURGQYNH-UHFFFAOYSA-N 441.551 4.822 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(-c2ccccc2)c1 1749582310 IGUKFTPOTZZDLE-DHIUTWEWSA-N 446.599 4.609 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1CC(=O)NC1CCCCC1 1749584146 HUMQYJLRTNEGEK-UHFFFAOYSA-N 435.616 4.620 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 1749689681 IXUJTIOLYGGLLK-UHFFFAOYSA-N 426.605 4.874 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@](C)(OC)CC1 1749689793 KJJGLDFMQQMLRE-SANMLTNESA-N 447.583 4.657 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749747186 VNDVTLLSMDDBDD-DENIHFKCSA-N 439.673 4.835 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1749752490 REZDZUHJALINOF-UHFFFAOYSA-N 448.640 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760118598 IWVIEFKRDIOZFQ-XLNZFTOWSA-N 433.600 4.649 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCS1 1760196141 LDRXHNOFOCGYAT-HNNXBMFYSA-N 426.998 4.782 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCC1(F)F 1760298110 WAWUTVNTSKAPPE-VGOFRKELSA-N 432.490 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(CC)C1 1760326574 XMQZJVXLBSZDLR-JKFKMHIGSA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1760360820 BDZRCBZPXCSWKM-UHFFFAOYSA-N 446.020 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@H](O)C1 1760486882 CMBVTEOAVMWVMM-UNMCSNQZSA-N 436.625 4.983 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760568054 WPMGTMGLNSADLS-QAPCUYQASA-N 443.469 4.870 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CCSC)o1 1763930101 AAONKCYLZXWTKA-MRXNPFEDSA-N 438.601 4.692 30 10 IJEE Cc1cccc(-c2ncc(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c(C)n2)c1 1859649495 QNLIUFJCFHBVRP-UHFFFAOYSA-N 445.486 4.618 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)/C=C/c2ccc(OCC)c(OCC)c2)c1 1860728423 BJTVNAKMRMBEES-ACCUITESSA-N 439.508 4.662 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862398267 SFFCMJXPPCCXIE-HXUWFJFHSA-N 447.453 4.619 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Br)c1cccc(O)c1 1862599100 BPVXTLWCSBGOEZ-IBGZPJMESA-N 442.309 4.676 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C(C)C)cc1OC 1862602357 ZTFGEQGUMYEWJN-QFIPXVFZSA-N 439.508 4.566 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2 1862626503 CSMOASFNEIELPT-OAQYLSRUSA-N 439.895 4.980 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)c1 1862949952 YXOLZKCZTUEZFL-UHFFFAOYSA-N 447.466 4.955 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(F)c3)C2=O)cc1 1862970239 STMPUPUIIOPZQN-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3ccccn3)C2=O)c1 1863284593 VDAMBBOTAAKLRS-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866974165 PPMURVLEJVBESZ-PMACEKPBSA-N 442.357 4.594 30 10 IJEE CC(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1cccc(C#N)c1)c1ccc(Br)cc1 1866977304 ONDXAJBAJQPFRT-LJQANCHMSA-N 442.357 4.594 30 10 IJEE C[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867117093 LUJAGOBVRHFENB-UZLBHIALSA-N 433.458 4.502 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(-c3ccccc3)n2)cc1 1868377051 VMWWGZQEDCTRHD-QHCPKHFHSA-N 434.503 4.732 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)/C=C/c1cccc(Cl)c1 1870107579 PBZMHGDDMABLBU-BQYQJAHWSA-N 432.698 4.810 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870300805 VYWDKZPVZOKPQA-UHFFFAOYSA-N 429.545 4.527 30 10 IJEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(C)c(F)c1 1870806604 RDHVZUFPGIMFER-UHFFFAOYSA-N 426.463 4.821 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870837456 GYAGVRXTWJLGQS-UHFFFAOYSA-N 439.604 4.638 30 10 IJEE C#CCOc1cn(CCc2cnc[nH]2)c(CNc2cc(C(C)C)cc(C(C)C)c2)cc1=O 1871007002 GOBDBCPLEZUEBO-UHFFFAOYSA-N 432.568 4.685 30 10 IJEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871011573 VIBXTZLGBPJIKC-UHFFFAOYSA-N 433.430 4.849 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)cc1 1871431426 YSNFJVJFITUCGB-UUYOSTAYSA-N 426.428 4.539 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871441741 LOQMGAWWXZNKHK-JJFYIABZSA-N 433.435 4.776 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OCC(=O)NCc4ccco4)ccc3C2=O)c2ccccc21 1871445245 OLBNMMXMFHPZFX-MSXFZWOLSA-N 442.471 4.566 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872002525 BBPPMHLNYJXTCQ-WIYYLYMNSA-N 434.627 4.985 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CCCC 1872162087 OPIJRZNGDLZZOY-HXUWFJFHSA-N 438.634 4.981 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1)S(=O)(=O)CCCC 1872306215 YIQCALPFDZVXMG-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872499599 PXDGWIQPABGRGJ-OAQYLSRUSA-N 434.989 4.859 30 10 IJEE N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765228 KFDNUPZTENRUHM-OAHLLOKOSA-N 428.267 4.971 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787327 HJVZEHBGJILBJD-OAHLLOKOSA-N 430.316 4.723 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[nH]1 1872807090 AGLCLMOQFXLVJM-UHFFFAOYSA-N 443.459 4.688 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 1873504827 NKAFNESQHKZVDD-BYWZACNXSA-N 444.944 4.542 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636197 ISUMDFIQSDLMSZ-UHFFFAOYSA-N 431.471 4.629 30 10 IJEE CCCOc1cccc(/C=N/n2c(CCc3ccccc3C)nnc2SCCCO)c1 1874363628 ONHYGTKLCSRWOF-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874425736 XRCYPMBLVAIGRL-AFUMVMLFSA-N 430.537 4.503 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)c1O 1874445167 ABZXCDBYAZCDNJ-AFEQLLIESA-N 438.553 4.635 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2)o1 1874487646 HSYJXAQYZCDHDA-FSJBWODESA-N 430.505 4.560 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccs2)c(C)c1 1874492230 FGIZJDKPMLIFMX-WSDLNYQXSA-N 427.599 4.768 30 10 IJEE CCOc1ccc(/C=N/n2c(C)nnc2SCc2c(F)cccc2Cl)cc1OC 1874534893 HELURYDPOYXVJV-FOKLQQMPSA-N 434.924 4.961 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 1874611564 OPQZDUCYTKMBPF-ACCUITESSA-N 432.432 4.517 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(Br)cc1 1875110036 QFZIWKQVSNQHSA-LREOWRDNSA-N 444.159 4.721 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1 1875114624 YRGGUNLGZNADNC-KRXBUXKQSA-N 429.188 4.822 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Br)s3)ccc21 1890341867 MVESAEFLYDLFAO-UHFFFAOYSA-N 435.343 4.701 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 1909322866 RHTDASDDKLVSSU-XHVFSLISSA-N 426.557 4.680 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]23CCC[C@]2(C1)CN(c1cc(Br)ccc1C#N)C3 1965684762 CZZKESKXKWSHKH-NHCUHLMSSA-N 432.362 4.548 30 10 IJEE CN[C@@H](CC#C[Si](C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2014156615 NCTQOYDDVUMPJK-WIOPSUGQSA-N 444.692 4.689 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Cl)ccc(Br)c1F 2058352970 TURFIGJCSVCQAD-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE CCOP(=O)(OCC)c1cn(Cc2c(F)cccc2C(F)(F)F)nc1C(F)(F)F 2080387139 WTLQCLNXEKDHDU-UHFFFAOYSA-N 448.275 5.000 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)c1cc(Br)cc(F)c1C#N 2118154327 YUFCKJCJUNRRQZ-MLGOLLRUSA-N 426.330 4.542 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2118191882 JXIAEPWDTNKTSD-BLLLJJGKSA-N 426.330 4.732 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c2nsnc12 2137393045 YPFACNIJIKRNMR-KGLIPLIRSA-N 441.395 4.574 30 10 IJEE C=CCN(CC[C@H](Cc1ccc(OC)c(Br)c1)NCC)C(=O)OC(C)(C)C 2155516274 IGPUAZULULLOJM-QGZVFWFLSA-N 441.410 4.792 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCCC 2159121615 WTXOFFBCGPTACQ-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2159124709 JGFGTUJHVLYLBY-MOPGFXCFSA-N 437.422 4.975 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 2159128591 UEXOTSNBBQJZBU-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2c2cc(Br)cc(F)c2C#N)C1 2174770499 XJLMCYYMWMQANI-CXAGYDPISA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(Br)cc(F)c3C#N)C(C)(C)[C@@H]2C1 2174807660 FHVFQSGSDHAMDQ-IUODEOHRSA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)N1C2CCC1(CC(=O)Nc1cc(Br)ccc1C#N)CC2 2181046400 QKMFORPKBUKQEN-UHFFFAOYSA-N 434.334 4.581 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CCN2c1cc(Br)c(C#N)cc1F 2197340408 MQVVAZYBBWECIA-VLIAUNLRSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(O)C#Cc2ccccc2Br)C1 2235738763 CMKZOOTUOXBZKC-JBYIUTFZSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C#Cc2ccccc2Br)C(F)(F)CC1 2235744495 QPNSWYBMLWTTDA-LJQANCHMSA-N 444.316 4.588 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@@H](N)C#Cc1ccccc1Br 2235747515 QNZPNGXWHVQLHQ-RBUKOAKNSA-N 433.390 4.698 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)CC2CCC2)c(B2OC(C)(C)C(C)(C)O2)s1 2247832099 JXVATKMOVGDNEV-UHFFFAOYSA-N 425.403 4.798 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(Cl)c2C)C1 2266483136 RQLJVJMWHZBWKL-UHFFFAOYSA-N 441.753 4.656 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@@H](N)C#Cc1ccc(Br)cc1 2278817805 KAFSPHGOIIZKSU-IRXDYDNUSA-N 441.435 4.553 30 10 IJEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1ccco1 2285963699 QDYMULZWHGNRMW-UHFFFAOYSA-N 449.331 4.869 30 10 IJEE C=CC[C@@]1(COc2ncc(Br)c(C)c2N)CCCN(C(=O)OC(C)(C)C)C1 2287855810 YSFCJMQWPPDOQD-HXUWFJFHSA-N 440.382 4.707 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(c3ccc(C#N)c(Br)c3F)[C@H]2C1 2290258683 JDFRCCBZYUFXTJ-CJNGLKHVSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2cccc(Br)c2)CC12CCCC2 2296221127 FWYVQRNVTXJUCC-MJGOQNOKSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](O)C#Cc2cccc(Br)c2)CC1 2296232573 OTJJEQVMONODRC-LJQANCHMSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@@H](O)C#Cc3ccc(Br)cc3)c2C1 2296281354 KIMHVLRRUSEUIY-FQEVSTJZSA-N 428.326 4.785 30 10 IJEE N#Cc1cc(N2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N3CCCC3)C2)ccn1 2296584829 RNSSEGBTUPBYOT-NDEPHWFRSA-N 436.559 4.682 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)C[C@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 2306624542 YLJZZIXQFIOZPB-NHCUHLMSSA-N 428.573 4.555 30 10 IJEE CC#CCN(C[C@H](NC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2316109780 NOKGYUFTNAWLKU-HNNXBMFYSA-N 433.749 4.763 30 10 IJEE CCN[C@@H](C#Cc1ccnn1C1CC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2319381053 PMTKMUBSKBTLFQ-JOCHJYFZSA-N 436.600 4.765 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)Nc1nccs1 2322484028 DCSWWZWYHVIKEM-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE CCN(CC)c1ccc(C=NNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1 2322609810 ZZEQLCPVQHJYGJ-UHFFFAOYSA-N 430.339 4.832 30 10 IJEE CC(=O)c1ccc2c(c1)CCN2C(=O)C(=O)C=Cc1cccc(OCc2ccccc2)c1 2323230944 WHIBYVVDCBJLBH-UHFFFAOYSA-N 425.484 4.640 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])ccc3C2=O)o1 2323282913 HEWZQPCWRCQBMS-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE C[C@H](NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O)c1ccccc1 2325019304 HNDGNTQSVBVHNX-SFHVURJKSA-N 442.515 4.625 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(OC)cc1OC)C2=O 2325079518 NETFWRPCBQQUML-IBGZPJMESA-N 440.492 4.739 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2325722207 AIYXVHTWUNPXKM-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326513078 TZUAZEMVELVNKN-UHFFFAOYSA-N 431.905 4.721 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1)Nc1ccccc1F 2330631816 GWSKSNPDCIEWEM-UHFFFAOYSA-N 431.496 4.697 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 2330672886 FQQDZNIIEVKTEI-UHFFFAOYSA-N 432.480 4.957 30 10 IJEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1N=Cc1cc(Cl)ccc1O 2330899568 DBNXRHFFNYNOCV-LJQANCHMSA-N 428.945 4.972 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)Cc2cccs2)c(OC)c1 2331052017 PWDFHRPJRVNCFC-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2)c1C 2331173912 KHGFJMKECMVFJS-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2cccc(Cl)c2)o1 2331392994 CYRJJFSOISPXQB-UHFFFAOYSA-N 432.933 4.783 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(C(F)(F)F)cc1 2331408317 WHKPFVRUSKATQO-UHFFFAOYSA-N 442.507 4.768 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C(C)C 2331892253 QNPRBAHYIPXFBA-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@@H](O)C#Cc1cccc(Br)c1 2360196442 QTJCHBMDNBOTQB-FFGOWVMKSA-N 434.374 4.730 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(N)C#Cc1ccc(Br)cc1 2380876486 WPWJTAAUJLBQMC-DEVSCXNHSA-N 433.390 4.602 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C 10367133 HGVUYPWWTYUEAP-UHFFFAOYSA-N 439.968 4.640 30 10 IJEE CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)c(OC)c2)C3)c1 21226083 SWHCOOZXLMOEAG-PZJWPPBQSA-N 449.547 4.885 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(OC)c(OC)c2)cc1 28052434 JEBWQEVGETWZFD-MZNJEOGPSA-N 446.503 4.967 30 10 IJEE Cc1cc(Cl)ccc1OCC(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1O 38623220 DGBVKZZFUGAVPQ-MRXNPFEDSA-N 436.895 4.567 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)N(CC)C2=O)cc1 100246435 PDUUMBDOXYWSQM-QAYQYMSWSA-N 431.945 4.719 30 10 IJEE COC(=O)c1ccc(/N=C2/S/C(=C\c3c(OC)ccc4ccccc34)C(=O)N2C)cc1 100279481 WHNHMRAEWSWYMZ-YCBMQGOFSA-N 432.501 4.869 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)/C=C1/NCCc2cc3c(cc21)OCCCO3 102601703 MUACAIZAHBBQCU-HTMJNSLASA-N 434.319 4.678 30 10 IJEE CCCCCCCCc1nnc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 104986651 NXCUKWVUSYDSPT-UHFFFAOYSA-N 428.518 4.787 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 106103206 ZWSKZOFYPVQHDV-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccc(C)c2)cc1 169967324 MXIRPJPGQMKSNE-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccncc2)cc1 170016531 OZCHTDHLUSDDCU-JOCHJYFZSA-N 443.459 4.896 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccncc2)cc1Cl 170021652 CXKOMLTXZNRMRI-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccccc1 170048619 KAVNGMDOWPYMBR-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2F)c1 170069332 ZSZORQXFQRSDPH-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)c1 170161799 PNNDNOWEYQULQY-KUHUBIRLSA-N 447.940 4.558 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccn2)c(C)c1 170175662 QMSZRCSZVOFZBD-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@H]3c3ccncc3)oc12 170204614 CQZXEJZXZDJOIV-QFIPXVFZSA-N 440.455 4.928 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1c1ccncc1 170210890 ZTIJDNJTBDXVNM-GOSISDBHSA-N 441.281 4.579 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccccn1 170274476 KWSYIUXLWRWLIH-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccco2)ccc1Br 170295640 LSNIZJBCCAXLOO-SFHVURJKSA-N 430.298 4.871 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(O)c1)c1ccccc1 170423641 SERAPALUNFSFOI-DEOSSOPVSA-N 438.483 4.695 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)c(F)c2)OC1(C)C 404995137 GXRATMPVLSQXMU-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C 410353085 KLNNVXAIRKRLTC-FQEVSTJZSA-N 429.358 4.961 30 10 IJEE Cn1c(=O)ccc2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc21 427833529 PLCPMZCAHGKBFY-UHFFFAOYSA-N 425.513 4.955 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 429077124 KFBNENWFIQEYIS-OAHLLOKOSA-N 434.384 4.964 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460550924 CSCULVHNWAGCIP-ZQHDKMAOSA-N 426.561 4.904 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1cc(COc3c(Cl)cccc3Cl)on1)CCCC2 484182389 YODLRNJSDGZJRB-UHFFFAOYSA-N 443.290 4.958 30 10 IJEE CCCOc1c(Br)cc(Br)cc1CN(CCC#N)CCC#N 499235594 GWXTVFIXTVKHFR-UHFFFAOYSA-N 429.156 4.630 30 10 IJEE C=CCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 508460522 CXRIDPYVANUFME-IBGZPJMESA-N 430.487 4.704 30 10 IJEE C=CCn1c(-c2ccccc2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508802052 OJZZOPKDGQGTGB-NRFANRHFSA-N 433.943 4.737 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)Cc3ccc(Cl)c(Cl)c3)c2C#N)C1 526858241 KZVQRHCEBHNXOX-LUGWNYHVSA-N 441.405 4.939 30 10 IJEE Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc12 538273084 ITUDIFSHHNTIIF-UHFFFAOYSA-N 445.523 4.991 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1ccc(Br)o1 568785833 PDSBDTAYQUUXKS-UHFFFAOYSA-N 447.333 4.530 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](c2cccs2)C1 572859721 WOIIDPPQYBJJJA-QGZVFWFLSA-N 445.386 4.923 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 576840076 DFTOYFRMZMTHAW-DPZBCOQUSA-N 444.579 4.851 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 580261215 XQNOBOWGMZBATI-GOSISDBHSA-N 430.618 4.578 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 609356613 PXTMSELIMMQGDI-AMHTUMDSSA-N 431.536 4.534 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 730137490 DYFGMACXTAAAIY-HNNXBMFYSA-N 427.998 4.746 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OCc1ccccc1 730587739 AUSGPMURDSFVRY-DHZHZOJOSA-N 429.472 4.891 30 10 IJEE N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)CCN1C1CC1 732647252 AWNMYAIVKFWNKB-RBAUTDOXSA-N 440.572 4.595 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nc2ccccc2c(=O)n1-c1cccnc1 735302728 CODAYEKZGMYVBQ-UHFFFAOYSA-N 434.908 4.629 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)c2)s1 739748587 CVGWXVRFDOTMID-HXUWFJFHSA-N 435.936 4.609 30 10 IJEE COc1ccc(CNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1C#N 746857324 GDYUBQHLGGSABP-UHFFFAOYSA-N 427.382 4.703 30 10 IJEE C=CCOCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccsc1 790749817 JTILSWZMRIBJEA-KRWDZBQOSA-N 449.985 4.564 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 802558584 RTBBXUCAWIXUOK-UHFFFAOYSA-N 426.948 4.872 30 10 IJEE CC[C@H](C)NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811724151 DJCMKNJEHQIMHE-KRWDZBQOSA-O 430.553 4.818 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1)C1C2CC3CC(C2)CC1C3 1084416062 KJFOZUXDAVDMAO-UHFFFAOYSA-N 429.977 4.638 30 10 IJEE COc1ccc(-c2nc(SCc3nc(-c4ccc(C)c(F)c4)no3)nc(O)c2C#N)cc1 1087664709 RQDRXWBUMUNUBD-UHFFFAOYSA-N 449.467 4.519 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1OC 1124306771 JKXTZQKGVPCPIP-ZRDIBKRKSA-N 434.517 4.739 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCC(F)F)nc1 1124884457 GMLDSLFVJKXTPD-UHFFFAOYSA-N 425.410 4.892 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)Oc2cc(C)c(Br)cc21 1126824108 CPZNFMSCEISEPW-CQSZACIVSA-N 432.314 4.759 30 10 IJEE C#CCN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)[C@H]1CCCc2ccccc21 1134311237 PFCMNHCYFVYTBY-SANMLTNESA-N 443.568 4.814 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1137381038 HIJKVKVGPCZEMB-INIZCTEOSA-N 432.536 4.605 30 10 IJEE Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)O2 1139077298 CHUGTACTYZWADB-NRFANRHFSA-N 434.414 4.810 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 1141816669 GDWGDAKJKWYFGV-UHFFFAOYSA-N 436.394 4.931 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1142976177 ABRQJXVMCWOJHS-IBGZPJMESA-N 435.911 4.812 30 10 IJEE C=CC[C@@H](Cc1ccccc1)Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 1163488707 LBSAPWGLATXFAY-INIZCTEOSA-N 434.849 4.899 30 10 IJEE C=CCn1c(SC[C@@H]2CCC[C@H](C(F)(F)F)O2)nnc1[C@H]1COc2ccccc2O1 1188283078 TXBJXNCWQDAQJJ-IAOVAPTHSA-N 441.475 4.569 30 10 IJEE CC[C@H](C#N)Oc1cc(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1OC 1200459546 FXAODBCJSLXCSG-OAQYLSRUSA-N 439.556 4.691 30 10 IJEE Cc1csc(NC(=O)N[C@H](C)c2ccccc2NS(=O)(=O)c2cccs2)c1C#N 1204888524 GOBIQJVEGCRAPX-CYBMUJFWSA-N 446.579 4.673 30 10 IJEE CN([C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)c(F)c1 1210540700 AEABAANVHTZBOX-NRFANRHFSA-N 432.879 4.900 30 10 IJEE C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1214965046 CXLZNBXXHWODAF-KRWDZBQOSA-N 431.471 4.627 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H](O)c3cccc4ccccc34)c2)s1 1222125248 CPYFIGGBTCDSRD-QHCPKHFHSA-N 427.529 4.973 30 10 IJEE N#C[C@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CCN1Cc1ccccc1 1224564242 HYLYCWGYZHIEKD-QHCPKHFHSA-N 436.987 4.571 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)COc1ccc(F)cc1Cl 1264905949 TULGKYJRGFZVLM-UHFFFAOYSA-N 430.676 4.974 30 10 IJEE CCOC(=O)CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H](C)c1ccccc1 1267355914 ABOGZPINNMDVJQ-FQEVSTJZSA-N 442.515 4.904 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(OC)c1OC(F)F 1275383505 XQGSFMWQWGIGCU-UHFFFAOYSA-N 428.229 4.876 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CC[C@H]3C[C@@H]3C2)nnc1-c1ccc(Cl)cc1Cl 1278276367 NUPRROUARAQLLO-GZBFAFLISA-N 437.396 4.835 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)Cc1cccs1 1286405100 ZATHMUVTKLAZGY-KRWDZBQOSA-N 440.519 4.560 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H](C)CN1CCCCC1 1286456535 RNCGKKLRUVYGPK-NRFANRHFSA-N 437.607 4.837 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cccs1 1286499505 SHWKFORYQMWILK-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccoc1C 1286542580 BWMZSNVEXYOCML-UHFFFAOYSA-N 429.362 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1286551185 LAFLGCPEEGHNPX-CGYQNGNCSA-N 443.954 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)C(C)C 1286565126 AWYSJGHMHCDCCS-AWEZNQCLSA-N 427.412 4.843 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H](OC)C1 1286631865 ZVTFPRYSMDZSPW-GOSISDBHSA-N 439.387 4.619 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2nc(C)cs2)CC1 1286638804 MWMURRUGXWFCBS-CYBMUJFWSA-N 447.406 4.761 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCCCOCCc2ccccc2)CC1 1286644929 OAAJQWKMILCAAY-UHFFFAOYSA-N 431.584 4.844 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(CC)C(C)C)CC1 1286654206 BZQVAQDNDDHOOB-LJQANCHMSA-N 429.584 4.690 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](OC)C2CC2)CC1 1286655868 UJCMTGJZGLGLFZ-OAHLLOKOSA-N 437.407 4.597 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1286733853 KQCNKECRXDDSSF-FQEVSTJZSA-N 445.558 4.822 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1Cl 1286834011 XKGDZUBHIVHNIG-UHFFFAOYSA-N 434.034 4.843 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1289407030 QOLISRRVEDMPQQ-LJQANCHMSA-N 437.378 4.818 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCSC1)OC 1291941237 DYGAAXAHHKOAGL-SFTDATJTSA-N 427.618 4.600 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)C1 1292380580 GGMGZSMTRMROEV-OAQYLSRUSA-N 434.632 4.955 30 10 IJEE CN(C)C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 1296983134 GZAFIYCSBRYJEG-XMMPIXPASA-N 433.939 4.823 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1csc2ccccc12 1300276241 JLMQVBMVBLCBRJ-CYBMUJFWSA-N 440.370 4.757 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC2(CCCC2)C1 1300342111 OHAXSGDSOLKZHO-QFIPXVFZSA-N 436.600 4.988 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)c1cccs1 1300512683 SCAMDCAOSHIOOK-GOSISDBHSA-N 436.556 4.669 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCC1CCOCC1 1300936623 GHNSJBGWSHDBEX-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1301158513 HUNSRMZDUWOWNN-CPJSRVTESA-N 442.579 4.666 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1301199036 VLYUKNPQVGJAPX-HXUWFJFHSA-N 438.551 4.699 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(Cl)cc1 1301293571 CSXVAUGLQOCTMI-GOSISDBHSA-N 445.995 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)OC 1301405098 AEXHDFIEBWCMKK-MRXNPFEDSA-N 445.361 4.571 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccco1 1301531221 GARZFXJTOHUTRH-FQEVSTJZSA-N 446.555 4.543 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301600949 KYDMPZRQKHJYOR-RLAPIPATSA-N 440.657 4.759 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCCCC1 1303063339 DSCBUYLWXXVEJQ-UHFFFAOYSA-N 447.631 4.847 30 10 IJEE C#CCN(C(=O)Cc1nc(C2CCCCC2)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655544 HVBZYPUBEXNKLR-UHFFFAOYSA-N 445.629 4.595 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1 1309425363 ARIOAVORMVZJMZ-UHFFFAOYSA-N 439.762 4.542 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C#N)c(OC)c1)c1ccc2c(c1)OCO2 1347909798 NSIIEEOUBSFRMM-UHFFFAOYSA-N 442.471 4.707 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 1350754247 ISCILPYDMRDGTM-OALUTQOASA-N 437.536 4.811 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)c1 1352619865 IARBJTLOFZRVCA-DEOSSOPVSA-N 431.580 4.669 30 10 IJEE C=CCN(C(=O)[C@@H](OC)c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352762284 DTYHUOPGLJTTEB-IBGZPJMESA-N 427.457 4.764 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1OC 1353515822 ZUMBJBFUQFVPIS-OWBHPGMISA-N 442.559 4.771 30 10 IJEE C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F 1358496062 DHCNCDTZIKVULF-SNVBAGLBSA-N 427.220 4.879 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)c1cccs1 1358876871 SBGYOZVQJWWDBV-QGZVFWFLSA-N 430.581 4.832 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC1(CCOCC)CCC1 1359005818 XEBIEFHAOMBYEQ-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCc2cc(Br)ccc2C1 1359090578 CWOBKTHDNFRDPG-ICSRJNTNSA-N 445.405 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCc1ccccc1C(F)(F)F 1359115114 KTTUDFQAGVWKMW-UHFFFAOYSA-N 429.490 4.928 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1359173155 XHUDEUNLBKHDLR-MJGOQNOKSA-N 431.625 4.624 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1359205099 LQDDRBAJCFLFCA-UHFFFAOYSA-N 441.595 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1OC 1359263601 GIPJCGYZZSFZFA-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CSC2(C)C)nnc1-c1ccc(Cl)cc1Cl 1436012247 LHDLKUKXNOCQFN-AWEZNQCLSA-N 443.425 4.540 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1436152937 HIWWYXTUUGMRQW-KRWDZBQOSA-N 432.351 4.808 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)c1 1436480152 BTZACOKJZYMTHO-HUUCEWRRSA-N 445.610 4.588 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1ccccc1)c1ccccc1 1443693577 WVLPEBBRFBSJMO-NHCUHLMSSA-N 444.959 4.959 30 10 IJEE C=C[C@H](C)ONC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1452740973 WFBUTMQFUVFZLF-INIZCTEOSA-N 432.476 4.554 30 10 IJEE N#CCCN(C(=O)COc1cc(C(F)(F)F)ccc1Br)c1ccccc1 1459178864 FNXMEYMMQAOBQP-UHFFFAOYSA-N 427.220 4.794 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2ccc(COC(C)C)cc2)Cc2ccccc2)c1 1459788615 CEVGWQBZBKAGKX-UHFFFAOYSA-N 426.560 4.916 30 10 IJEE C[C@@H](NCc1cc(C#N)ccc1Br)[C@@H](OC1CCOCC1)c1ccccc1 1461352179 BMSFPIMUJNTVLJ-OPAMFIHVSA-N 429.358 4.736 30 10 IJEE C#CCCCCCC(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1462971904 DTZXKWFGUIVSRZ-RTWAWAEBSA-N 440.584 4.727 30 10 IJEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)/C=C\c1ccc(C)cc1 1463114384 SQJUTZVZGGVNTJ-QKQONQEDSA-N 446.366 4.517 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1470462410 YCLZPGYTSFATPF-KKUQBAQOSA-N 445.513 4.607 30 10 IJEE C#C[C@H](Nc1ncnc2ccc(I)cc12)c1ccc(Cl)cc1F 1472780406 DRZFDNZQCZPTQT-HNNXBMFYSA-N 437.643 4.813 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(C)cc1OC[C@@H]1CCCO1 1474061600 UZVCQJBZZHOMMS-NRFANRHFSA-N 444.369 4.617 30 10 IJEE CCOC(=O)N1CCC([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1476463191 GFBIYHLQPFZNQX-KRWDZBQOSA-N 436.512 4.729 30 10 IJEE C#CCN(C(=O)N[C@@H](C)CCc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1477263070 VYUCLEDXEWABDA-LAUBAEHRSA-N 441.369 4.939 30 10 IJEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCCC(F)(F)C2)cc1 1504215288 BNRXIVJIKBDCFK-QUCCMNQESA-N 445.558 4.883 30 10 IJEE C#CCCCCn1c(N(C)[C@@H](C)c2cc(F)ccc2F)nnc1[C@]1(OC(C)C)CCOC1 1507576501 YHKHTZWVJYQVBK-UUOWRZLLSA-N 446.542 4.598 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(OCC)c1 1507682335 LXIDIIMPOHBBJI-UHFFFAOYSA-N 445.386 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CCC(OC)CC1 1507772800 UQTQQRBLUQNZDG-NSQFWZPASA-N 442.648 4.784 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCOC(C)(C)[C@@H]1C 1507840248 YPGPVYCZXCUPSS-ROUUACIJSA-N 444.645 4.728 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507888753 BWOJSZJOJJEFPT-DNVJHFABSA-N 443.680 4.721 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2c(CC)noc2C)CC1 1507897880 UCHLIKYEFBSVOT-QGZVFWFLSA-N 439.535 4.867 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1507898454 YVMSWISCQPUIBA-UHFFFAOYSA-N 431.968 4.526 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H](C)c2ccccc2)CC1 1507898978 XXYQSFNKQNSMPX-LVXARBLLSA-N 438.616 4.915 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2OCCOC)CC1 1507905961 XPCPPRKOOVUZOP-UHFFFAOYSA-N 438.616 4.795 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1507908942 LKHLLFJAHSDWPC-FQEVSTJZSA-N 432.996 4.974 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507934227 ZFUHPXNVQQCWKZ-UHFFFAOYSA-N 444.023 4.573 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCOc1ccc(Cl)cn1 1508005167 UQSNZWKJJUEYJB-UHFFFAOYSA-N 448.958 4.604 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H](OC)c1ccccc1 1508006674 JRFHKNLKHNRRQS-QFIPXVFZSA-N 431.565 4.982 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1508062507 HETUVENLWPPPLZ-LJQANCHMSA-N 437.613 4.661 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1508162667 RLONVDARHVPALK-XMMPIXPASA-N 426.630 4.812 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 1521711774 BYTSSGMDGBOBJJ-QFIPXVFZSA-N 427.895 4.871 30 10 IJEE CC(=O)CCc1ccc(O[C@H](C)C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cc1 1522957142 MQSOSXSCLSYEQF-AMSVNNNPSA-N 438.593 4.886 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1ccc(Cl)cc1F 1528107610 CXNHHSGPZXFICC-LJQANCHMSA-N 446.707 4.591 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1528416030 SJIPNPRHONYKQS-SFHVURJKSA-N 429.358 4.865 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1 1530534003 SMITUNKHBSBXBF-DENIHFKCSA-N 444.984 4.677 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1 1531363623 IKQFYCZJNKUEOK-UHFFFAOYSA-N 448.375 4.840 30 10 IJEE C#CCN(C(=O)/C=C\c1ccc2[nH]ccc2c1)[C@H]1CCOc2ccc(Br)cc21 1531552696 FVDCUYRUPFTQEM-DJHHFUNSSA-N 435.321 4.929 30 10 IJEE C[C@H](OC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(C#N)cc1 1533618406 AYSWCAXAPSCRCK-ZDUSSCGKSA-N 426.398 4.953 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)C(C)(C)C 1535366306 YNOAQRBGHXPRRU-UHFFFAOYSA-N 440.519 4.565 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1536226581 QMXIKNVSUAOZQC-XNTDXEJSSA-N 426.398 4.744 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)c1ccccc1 1537266777 QHINRFRZBXZUFL-OAHLLOKOSA-N 436.249 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OCC 1538970606 CVUQMGNEGLAUFC-QZTJIDSGSA-N 432.996 4.961 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](c1cccs1)N(C)C 1539147981 LPQMMFFDQIKBNO-LPHOPBHVSA-N 444.004 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCCCN1CCCCC1 1539311709 XRKJAHOPTZCMNR-UHFFFAOYSA-N 438.019 4.718 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCN1CCCC[C@@H]1CC 1539391416 COJDWNSTNPGAPS-QHCPKHFHSA-N 439.623 4.910 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(OC(C)(C)C)nc1 1540084288 QXGXQPFQMQFMHD-UHFFFAOYSA-N 430.556 4.524 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)C1 1540089926 OSLBNGBADHKJSW-KRWDZBQOSA-N 432.520 4.966 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C1CC(C(C)(C)C)C1 1540138001 YAMZBBWVRVRLFH-QLOJAFMTSA-N 425.552 4.558 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(CC)C1 1540147496 ROGYJTREQXIHEQ-HXUWFJFHSA-N 439.604 4.604 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC12CCC(CC1)C2 1540191945 RYNFRDPZLWAART-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1Cl 1540575819 LWRHBQZDAHZDGO-UHFFFAOYSA-N 435.915 4.659 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1540880816 QYFQUGGICHAZKH-NSHGMRRFSA-N 446.542 4.513 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1540916019 RDIVUKLVJVIRHX-NHCUHLMSSA-N 428.602 4.789 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CN(C(=O)OC(C)(C)C)C1 1543275957 NVTJROFOFCAARV-GOSISDBHSA-N 449.389 4.926 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2csc(C)n2)c1 1557715417 MZVDPKZLDYMAJA-KRWDZBQOSA-N 435.977 4.771 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(I)cc1 1559359298 YWDYIXFKSPISMF-UHFFFAOYSA-N 447.345 4.952 30 10 IJEE C#CCN(CC#C)CC(=O)N(Cc1ccccc1)c1nc2ccc([C@H](C)CC)cc2s1 1559554747 KBJRGSKTXHQHAZ-HXUWFJFHSA-N 429.589 4.911 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1 1562073926 HWTBDTHNTZJAGO-UHFFFAOYSA-N 425.532 4.597 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)c1ccc(Cl)cc1F 1583579211 PAHCWPOZUZGHJI-UZKHVXGDSA-N 427.903 4.795 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)c1 1583933454 GYCHIJCRAOQQGS-UHFFFAOYSA-N 437.483 4.553 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 1587448590 HRAAODWLMKDGGM-UHFFFAOYSA-N 449.557 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cccnc1OCCCC 1587614623 LXDGRZWOIZYLDO-LJQANCHMSA-N 442.567 4.517 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@H]2CCOC2)CC1 1587724021 ZDNBHULUJMMTBS-IBGZPJMESA-N 442.991 4.664 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(NC(=O)OC)c1 1587931915 FQDNOCZKEMTSMR-UHFFFAOYSA-N 449.580 4.572 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCN1CCC 1588198387 QXZWKACVGZBQEC-IBGZPJMESA-N 444.410 4.589 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CCOCC1 1588265493 BRBHUUQJMYJOJM-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1588612920 MMVTVHVXCPNVHO-IFMALSPDSA-N 438.616 4.569 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)c1ccccc1 1589391169 XBEUGYPGBUUGSF-TZRRMPRUSA-N 443.547 4.792 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C)C(C)(C)C1 1589556141 AEZKKOMGFHGHTR-HFMPRLQTSA-N 438.616 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccoc1 1589568801 MRRJMSOFCVFBLS-QPPBQGQZSA-N 436.556 4.685 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1593721981 IPQKXOSZWNIHKH-LJQANCHMSA-N 442.604 4.818 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1593844484 BSCPNMTYDZPUDP-UHFFFAOYSA-N 442.972 4.867 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CCOCC)CC2)CC1 1594241357 NPLWFLRVDJOURZ-UHFFFAOYSA-N 430.543 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(OC)c(C)cc2C1 1594504017 CUJVUQAUQBBZOW-UHFFFAOYSA-N 431.584 4.746 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H]1C)c1ccccc1 1594534612 MVVZWXLJMJCPBN-SFHLNBCPSA-N 430.556 4.520 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1594651868 SBVUUPSNHLFSHP-HXUWFJFHSA-N 436.560 4.597 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@H](C)C1 1594788916 VMNRQGMFTGACJL-OAQYLSRUSA-N 449.599 4.561 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1ccnc(SC)c1 1595093542 FPAOWTHBJUBCJG-UHFFFAOYSA-N 430.581 4.775 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCN1CC 1595190840 JLHZKQUHWJGIBR-IBGZPJMESA-N 429.996 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)C1CCCCC1 1595200404 BJKLMRWMZIVJLL-SANMLTNESA-N 446.599 4.641 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1595343111 AMWCUFMWNBDEFI-SFHVURJKSA-N 439.604 4.780 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CSc3nncn3-c3ccc(C(C)C)cc3)cc21 1598315249 BMKDIHVYMDTNGQ-UHFFFAOYSA-N 432.553 4.657 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1611768659 AGBUHGQGGIGHLI-DBXWQHBBSA-N 432.494 4.688 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccc(C)cc3)C2=O)nc2sc(C)c(C)c2c1=O 1613269846 OSJOASVOCYSFRM-GOSISDBHSA-N 439.606 4.857 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c1 1616274680 DKXCZEGAMPLRSF-UHFFFAOYSA-N 444.623 4.554 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCC2(C)C)cc1OC 1616331014 DEZNTEXETFEXIU-HKUYNNGSSA-N 425.577 4.917 30 10 IJEE COCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1619645396 FGYDIXNUDCZODJ-KRWDZBQOSA-N 445.995 4.800 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@]1(C(F)(F)F)CCC[C@H](C(C)C)CC1 1625631612 XNXLXRMWBSRKOK-KKSFZXQISA-N 425.495 4.862 30 10 IJEE C=CCONC(=O)c1csc([C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)n1 1627707282 IVZLMYXOHPLMGO-HNNXBMFYSA-N 449.532 4.590 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](C)CSc1ccccc1OC)c1ccc(Br)cc1 1631352986 WYBBNVPKWIVKPO-YJBOKZPZSA-N 447.398 4.860 30 10 IJEE CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1632790621 HSWAJPHDFRNUHQ-RBBKRZOGSA-N 436.556 4.692 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O 1633505720 WUXOZJWEXULGDO-UHFFFAOYSA-N 446.547 4.705 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl 1634392421 HTVZVSNJIUAMPU-GOSISDBHSA-N 432.973 4.938 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2Cl)c1C(C)C 1634591449 APPNWQPFPITYGU-KRWDZBQOSA-N 444.963 4.894 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccc(Br)cc1 1636562540 MUXTXQFAIJJROG-MOPGFXCFSA-N 443.341 4.687 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@H]3[C@H](O)c3ccccc3)c2)cc1 1639409597 BQHBZZPMEFVPDI-IZZNHLLZSA-N 426.516 4.866 30 10 IJEE CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 1642485379 CSWARGSBKIWYSR-JOCHJYFZSA-N 434.337 4.646 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](c3ccccc3)C[C@@H]2C)n(-c2cccc(F)c2)c1C 1644613922 HFBDNUGHKHQERB-UWJYYQICSA-N 430.527 4.921 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CCCC[C@@H]1C(=O)OC 1651648411 QOCQSLXQLJIUPE-QAPCUYQASA-N 435.977 4.768 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(SCc2ccc(C)cc2)n[nH]1 1653707357 DWIVLFKLQPPABE-QGZVFWFLSA-N 445.589 4.594 30 10 IJEE COc1cc(N[C@@H]2CCCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)cc(OC)c1 1655260234 AFPNMAGYVMWFEQ-GOSISDBHSA-N 445.567 4.582 30 10 IJEE C=C(CC)CSc1nc(C[C@@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1656224512 IIHLYKOLYNBNLV-ULQDDVLXSA-N 428.602 4.585 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1)[C@H]1CCCc2ccccc21 1660392779 RAKRBHDBYZDGTG-QHCPKHFHSA-N 442.519 4.512 30 10 IJEE C=CCc1cc(CN[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)cc(OC)c1O 1662536311 KIXFGKKHWMDJBO-BKMJKUGQSA-N 449.522 4.809 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-n2ccc(O)n2)cc1 1663808394 RPRWDVUPCQMHHO-UHFFFAOYSA-N 445.292 4.700 30 10 IJEE C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(S(C)(=O)=O)cc1 1674397135 BMUFDICHYQOLON-KRWDZBQOSA-N 449.532 4.679 30 10 IJEE C[C@H](CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1c(Cl)cccc1Cl 1676569852 GAVISXCXYOGPHE-CQSZACIVSA-N 435.330 4.639 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CCCC2)cc1 1680624490 FMCVILJJWPJRFQ-QHCPKHFHSA-N 446.595 4.925 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(F)c(F)c1 1681556945 OLLMGAALOFWPLM-SYNHAJSKSA-N 437.531 4.774 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 1682682061 BCRBFKGDWGOJJS-FXAWDEMLSA-N 438.385 4.550 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(O)CCCC1(C)C 1689831564 MXPMKHDWZDCRLN-PPHZAIPVSA-N 445.611 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)CCC(C)C 1690195788 PKVQLPVUMXSISF-SXOMAYOGSA-N 445.611 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1690271207 HWRBKRTXFLZKJC-GCJKJVERSA-N 432.996 4.974 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ccc(Br)o1 1690291723 SLHZZIXRYUAKOC-UHFFFAOYSA-N 440.345 4.918 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2csc(CC)n2)CC1 1690412194 HPFFJWSXXJPRPS-UHFFFAOYSA-N 428.005 4.992 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC[C@@H](SC)C1 1690632507 ABGDHGBBNHDCOR-OAHLLOKOSA-N 437.407 4.624 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](OC)c2ccc(Cl)cc2)C1 1690689342 BZLYPTDALIWUMK-CTNGQTDRSA-N 442.947 4.669 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)SC)s1 1694561946 DDMLVDXTVRNTGZ-UHFFFAOYSA-N 426.615 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC1CCN(CCC(C)C)CC1 1705483428 UORYPVROXCZOEL-HXUWFJFHSA-N 433.600 4.907 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(C)s1 1705623993 MLUGGQOSOAJJTM-UHFFFAOYSA-N 435.380 4.756 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1705732432 ZBROCOLVJGXVCV-FQEVSTJZSA-N 438.616 4.841 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1705735708 WABUYYVYXPEQNP-FQEVSTJZSA-N 434.943 4.509 30 10 IJEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705748081 BKUAGSLRMZNUCS-UHFFFAOYSA-N 449.864 4.594 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1705797434 WGTNDOGTMNJKOS-VWNXMTODSA-N 445.611 4.877 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc2c(s1)CCCC2 1705844389 BUHZQLVGAHMTKU-UHFFFAOYSA-N 428.005 4.723 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2c(Cl)cccc2C1)C(C)C 1705869187 OMPOLDQUGVIOQF-JOCHJYFZSA-N 428.024 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705871840 ZYYGBYHRKRZADA-NHCUHLMSSA-N 430.600 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1ncc(C)s1 1705880948 VSHVTOJTKOFBTP-QGZVFWFLSA-N 434.569 4.737 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N 1705941111 ZEDOCDIRUMUFSZ-INIZCTEOSA-N 438.626 4.892 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C1 1710775444 AGKVJIPEMNUAKS-IBGZPJMESA-N 435.597 4.719 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(N(C)C)CCC1 1722275679 BABKEVCTAZNJSR-HNNXBMFYSA-N 428.005 4.755 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1cc(C(CC)CC)no1 1722346622 QUOOAYKXGRBRIF-UHFFFAOYSA-N 442.361 4.717 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC1(CCOCC)CCCC1 1722378861 SMPFTEQGUTTYSE-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@@H]1C 1722466073 YXUNWASEJLQXQQ-UXHICEINSA-N 426.630 4.890 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1722562656 HIKVWZXVESFRJB-FDDCHVKYSA-N 429.012 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC=C(Br)C1 1722587537 RYQXJGKGKILEPB-UHFFFAOYSA-N 426.362 4.908 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)C1CCN(CCC)CC1 1722609901 IHTBONPOSFRLLB-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722620060 IMTGAZHLQFQFHR-BHIFYINESA-N 442.579 4.880 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(OC)CCCC1 1722678877 GBQQZVZMGYJCGD-UHFFFAOYSA-N 444.645 4.874 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC#N)CC1 1722734083 AGEAUNBWUUQYTQ-UHFFFAOYSA-N 433.528 4.596 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H](C)CC#N)c1cccnc1 1723123468 DHRLROXHPBBWDD-AVRDEDQJSA-N 436.535 4.569 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCS2)C1 1724003693 DAIXRJIMTIILBF-UTKZUKDTSA-N 433.528 4.572 30 10 IJEE CO[C@@H](Cn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C(C)(C)C 1729874738 DNEAASYQWNHHIS-QHCPKHFHSA-N 442.567 4.567 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740577809 QAHMCVSNCJMBJX-UYAOXDASSA-N 434.506 4.912 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1740593322 XISKXHVBRVNZJS-HXUWFJFHSA-N 437.588 4.879 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CCC 1740633406 HAIZTMAEFLLMCD-QFIPXVFZSA-N 449.668 4.613 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCCC1(F)F 1740681914 GHFMPCLKISCLMW-GOSISDBHSA-N 428.483 4.603 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)C(C)C 1740712668 QGYPYTJELXMIOS-UHFFFAOYSA-N 441.826 4.962 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(=C)CC1 1740712849 WAGOWCDVFFGAEH-UHFFFAOYSA-N 431.403 4.539 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 1740743597 ADNYMWVSJLCVPZ-IBGZPJMESA-N 449.393 4.852 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N(C)CCOC(C)(C)C)c1ccccc1 1740802823 QHXWIFTYAREZAQ-UHFFFAOYSA-N 425.602 4.599 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2ncc(CC)s2)CC1 1740826488 MNLLVJXQMKNOPC-UHFFFAOYSA-N 429.540 4.565 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740852573 PLRWTKHTAZTEHM-XRXFAXGQSA-N 431.669 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccs1 1740921930 OCNURNXXQGJEPJ-QFIPXVFZSA-N 437.594 4.563 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC1(c2ccc(OC)cc2)CCC1 1740929993 MHOYLTLTGHJKPZ-UHFFFAOYSA-N 429.568 4.957 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccc(Cl)s1 1740940636 NQLRUMSIPUYMLJ-UHFFFAOYSA-N 427.961 4.828 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@H]2C)cc1Br 1748606650 AUAJDNLVXSYYFR-INMHGKMJSA-N 446.393 4.748 30 10 IJEE C#CCCCCn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748727407 RESQIVDCFGNZPV-SLFFLAALSA-N 443.636 4.725 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(CC(C)C)c1C 1749056872 WKCGGONOORRAJN-XMMPIXPASA-N 436.991 4.800 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(OC(C)C)c1 1749095765 BZUVGZIPIVFUMU-UHFFFAOYSA-N 430.350 4.605 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)S[C@@H](C)C1 1749218751 VWTXPHYZACTOLC-HOTGVXAUSA-N 437.009 4.530 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1749390495 GRDCTSUNRIKMMI-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccnc1OCC 1749502453 VLRVUNWGUBZXSU-UHFFFAOYSA-N 429.977 4.688 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)C1)C(C)C 1749558884 ZEIBZVGUQJQFBL-UYAOXDASSA-N 429.012 4.538 30 10 IJEE Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C#N)CC2)N2CCCC2)cc1 1751452109 GGCMQCOKFIGFSA-QHCPKHFHSA-N 434.632 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCCSC 1760289384 MXFUTFVLWPVBPB-LJQANCHMSA-N 437.382 4.592 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](C)(CC)C1 1760324962 NJCZKRKFTWSDPX-DSBYRVASSA-N 438.616 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCc1ccccc1F 1760326810 ZZHDTACHZFCERV-NFBKMPQASA-N 440.588 4.730 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 1760363147 FYQPWZSSORWTPV-UHFFFAOYSA-N 439.604 4.684 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(F)cn2)CC1 1760382500 RJPAEMPSCZUHJA-GOSISDBHSA-N 437.519 4.556 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CC2(C)C)CC1 1760385350 RVMIFCCSLZPFLW-MRXNPFEDSA-N 431.378 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC(C)C)C1 1760411429 LWVIHBUETMNVTJ-IBGZPJMESA-N 448.615 4.667 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760424210 AFWKHYBTDNFCPZ-NRFANRHFSA-N 425.483 4.553 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCSC1 1760498494 UFWLKNFJCUEHGO-LJQANCHMSA-N 438.597 4.925 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)n(Cc2cccc(Cl)c2)n1 1862364481 WANANRPEZIDGAT-UHFFFAOYSA-N 449.938 4.837 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1 1862385197 JTCRZVCPJOFTCW-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2)cc1C 1862400706 KSKVMFGFIFCYSA-JOCHJYFZSA-N 433.529 4.886 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2Cl)cc1 1862536150 RVHJRUBBGYAWHK-JOCHJYFZSA-N 449.938 4.768 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)c1 1862556644 BJEOOYWEKJBYKO-NRFANRHFSA-N 436.870 4.840 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2F)cc1 1862590369 HMHVTFVRZXYWLY-IQMFZBJNSA-N 447.462 4.879 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862593446 TXFSJCQSSQPCBS-QFIPXVFZSA-N 437.536 4.695 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862618843 ZQIUCYOSHSFPDO-HXUWFJFHSA-N 427.928 4.862 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862625718 MKOGMZXHIJAIKB-XKDCRVNJSA-N 433.504 4.881 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 1862628131 WQRDLKJVYFESQW-QFIPXVFZSA-N 447.874 4.847 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862713001 FNHKJMWTNHQDDH-VWNXMTODSA-N 427.500 4.906 30 10 IJEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCc2cccc(Cl)c2)c1 1867125638 JWNLRGBOTJTXJW-XMMPIXPASA-N 445.950 4.901 30 10 IJEE CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(C#N)nnn1Cc1cccc2ccccc12 1870109145 KZYGNOXHQOJHSJ-GOSISDBHSA-N 439.519 4.881 30 10 IJEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871067763 PVFDDDOOBCMVBY-UHFFFAOYSA-N 446.547 4.892 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871255287 TVROLUHQNOIUGS-UHFFFAOYSA-N 441.535 4.833 30 10 IJEE Cc1c(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871377689 YTUGEVWPWROJRB-HCYZRJLASA-N 428.400 4.533 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(=O)C(C)C)c4)ccc3C2=O)o1 1871390081 DQFQQLNAFKSVPG-XKZIYDEJSA-N 432.428 4.985 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCC(N3CCCCC3)CC2)C1=O 1871398415 IAJHQVJKUGUVRF-JCMHNJIXSA-N 438.593 4.829 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871453666 LMCJGYKEGJYQKK-UUYOSTAYSA-N 430.416 4.537 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872215414 AANYMKBHYDSKGN-MBSDFSHPSA-N 428.598 4.853 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872245914 AXIITSRRYBOJOE-FOIQADDNSA-N 438.952 4.709 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 1872260980 UDXDCFYYXZANKN-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)c1cccs1 1872562848 ZOKSIRAJYZEHNV-JOCHJYFZSA-N 440.590 4.922 30 10 IJEE CC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872765428 OPXPFSMYBMQKSS-QGZVFWFLSA-N 441.306 4.988 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2/N=C/c2ccccc2F)cc(C)c1Cl 1874217769 JJDVWIZRBAGIGZ-WYMPLXKRSA-N 448.951 4.623 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874280023 ZWVJMCWKOSHWDD-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccn1C 1874299791 SKOIEFQUHQBEHF-MFKUBSTISA-N 431.565 4.987 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2cccs2)cc1 1874335062 FTBFEQZSZSAXLZ-KCDOPAPYSA-N 439.610 4.547 30 10 IJEE CSc1nnc(CCc2ccccc2C)n1/N=C/c1cc(Br)ccc1F 1874359920 FVNNVODYQBIHMY-WSDLNYQXSA-N 433.350 4.877 30 10 IJEE CCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCC)cc1OCC 1874375314 PXWWDMQEFDFHGM-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCCCO)nnc2[C@H](C)c2ccccc2)cc1 1874398612 CGNCYQVVQMDDJD-VWBBVOOFSA-N 438.597 4.966 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccc2ccccc12 1874435481 JFOYPIQQYDXEHY-PCLIKHOPSA-N 437.613 4.863 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)cc1O 1874455897 PICDZYYCMYRDPJ-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE Cc1ccsc1/C=N/n1c(SCc2nc(O)c3ccccc3n2)nnc1C1CCC1 1874496988 OIRONLRWKGNUAP-SSDVNMTOSA-N 436.566 4.739 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(CC)cc2)o1 1874513017 CBKATUPAWMZHFY-YDZHTSKRSA-N 426.542 4.908 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)OCC(C)C)c2)cc1Cl 1874599131 WSJJPDNYGYFHEV-CMDGGOBGSA-N 432.900 4.831 30 10 IJEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc2OC)cc1 1874707722 TVBNUFFCZYXRMH-XCVCLJGOSA-N 432.428 4.548 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 1874734415 YDZHRWAUVNBEFU-GOSISDBHSA-N 427.928 4.960 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1875099251 YFNJMZKHGFSUAY-MKMNVTDBSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)cc1 1875114138 LSUBOWQXZCHQOU-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc([N+](=O)[O-])c1OC(=O)CC 1875166882 JJIJVTIVFUJKDI-CSKARUKUSA-N 427.453 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C(F)(F)C1 1901034130 LSKOYRVHVLGKLP-FQEVSTJZSA-N 429.508 4.705 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 1962794373 UFCNHRPVRKDABW-UHFFFAOYSA-N 429.399 4.775 30 10 IJEE C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)N(C(=O)OC(C)(C)C)C1 1963648994 RODUSBREFIRKKG-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)c(O)c1 2079049191 ZTZDFVKNDATWOR-CQSZACIVSA-N 443.235 4.701 30 10 IJEE COC(=O)c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079197089 RPRXWTRMKPWATD-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C#N 2079937549 VWPCNJDMGVWKQJ-GOSISDBHSA-N 435.309 4.634 30 10 IJEE CCCOc1ccc([C@H](C(C)C)n2nc(CC)c(C#N)c2I)cc1 2080128074 JUPQMHAHIZIWDB-SFHVURJKSA-N 437.325 4.956 30 10 IJEE COc1c2c(nc3c(-c4nc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CSC2 2081461430 CBCJDWYALSXZOO-UHFFFAOYSA-N 438.328 4.723 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CO[C@@H](C(F)(F)F)C1 2129108421 ZJBKDRUDVOEGHG-CZUORRHYSA-N 435.240 4.804 30 10 IJEE CCCN(c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2172774125 KYQSWBPOWNPXEC-UHFFFAOYSA-N 449.448 4.570 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC1CC1)c1ccc(C#N)c(Br)c1 2174812957 QMJVWUKHTRHYMA-SFHVURJKSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(Br)cc2C#N)CCC1(C)C 2193423054 TZPVGMPPWNKLBW-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](Oc3cc(Br)cnc3C#N)C[C@H]2C1 2204111984 BDJFEFUSPHZPMO-DZKIICNBSA-N 436.350 4.520 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(C#N)cc2Br)CC1 2205400245 CDPCNIMOFPFPHX-CTYIDZIISA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(C#N)c(Br)c3F)C[C@H]2C1 2206330390 PJBFXSAKLIYCLM-RRFJBIMHSA-N 438.341 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](N)C#Cc1ccccc1Br 2232125749 WUTMZLZYWLYRGI-DLBZAZTESA-N 441.435 4.553 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2ccccc2Br)C2(CCCC2)C1 2235733111 TXIKPWVEWJMVIZ-HKUYNNGSSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](O)C#Cc3ccccc3Br)C[C@H]21 2235739751 JVLTZFUAJNQIDI-XEYPJELSSA-N 434.374 4.587 30 10 IJEE C#CC1(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC2(CCCC2)C1 2244935106 KHQKFFHKCWBZDR-LJQANCHMSA-N 442.559 4.756 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](C#N)CC12CC2 2245102950 GRDZXSHZVANNNZ-GOSISDBHSA-N 443.547 4.598 30 10 IJEE CCN[C@H](C#Cc1ccccc1Cl)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2252754792 QMNMAZPDQKGTAK-DHIUTWEWSA-N 442.987 4.780 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2255531389 CRDZYQBLNNBXBA-HXUWFJFHSA-N 426.410 4.514 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 2261825607 GBOXWMMUNNVLGR-DFBJGRDBSA-N 447.572 4.657 30 10 IJEE CN(Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2267582007 XJKUCMVSHMBFDY-UHFFFAOYSA-N 444.381 4.864 30 10 IJEE C=CCN(C[C@@H](N)c1cc(Br)cc(OC(F)(F)F)c1)C(=O)OC(C)(C)C 2273014526 YLRMXLRQIAHRRK-CQSZACIVSA-N 439.272 4.771 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 2296136228 WFAJPTPEMBAGEQ-NRFANRHFSA-N 426.582 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296231633 GLOQKJWBCGLHAU-OALUTQOASA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2296231811 IAINARUSMQUWNY-WDSOQIARSA-N 432.358 4.938 30 10 IJEE CCC[C@@]1([C@@H](O)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296276857 MMYMTSUMRORPKG-SIKLNZKXSA-N 436.390 4.979 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2cccnc2)c1 2314477063 ANSAXLZDYHSYLI-RUZDIDTESA-N 440.499 4.658 30 10 IJEE Cc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccc([N+](=O)[O-])c2)C4=O)cc1 2321958636 PYMVGFXXHFVDKO-UHFFFAOYSA-N 428.444 4.872 30 10 IJEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc(C)c2=O)cc1OCC 2323013001 MDGVPJQMHWLYTD-UHFFFAOYSA-N 432.590 4.646 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)NN=Cc1ccccc1OCc1ccc(C)cc1 2323387551 BKRVGUQFOBGILH-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2OCC)cc1Br 2323524584 RMGNWVCHHUVVII-UHFFFAOYSA-N 447.358 4.676 30 10 IJEE CCOC(=O)CN(C)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2324009951 PDOLWOOJULUDKS-UHFFFAOYSA-N 437.536 4.609 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccc(C#N)cc3)ccc2C1=O 2324756670 CGPFKOYYHRTQQU-UHFFFAOYSA-N 443.455 4.779 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OCC 2325642756 WWUCLOYNMQNQSX-UHFFFAOYSA-N 430.504 4.691 30 10 IJEE Cc1cccc(C=Nn2c(COc3ccc(C)cc3C(C)(C)C)nnc2SCCO)c1 2325906501 WVPUVSSOAYCYOP-UHFFFAOYSA-N 438.597 4.738 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2N=Cc2ccc(OC(C)C)cc2)o1 2326838895 BOIYGJDVVCNTDM-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cc(OC)ccc1OC 2326991991 BQEQEUPSECRHCC-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2cccnc2)cc1 2328436635 BPJAOHYZKQPIJK-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cnc(C)cn1 2330911259 CJBJVCZFKRROFR-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)cc1 2330934992 BJDKMXVXEPGANO-FQEVSTJZSA-N 426.517 4.842 30 10 IJEE COc1ccc(CC(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331163137 AGBRKLRIVFJHQM-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1 2331377541 IXTRKVPQQLVRNI-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cnc(C)cn1 2331632314 WZYDDOLEGNTSOR-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339543760 WCZNXHRQPKLZBK-RTBURBONSA-N 443.397 4.974 30 10 IJEE CCCOc1ccc(/C=C2\S/C(=N\c3ccc(O)cc3C(=O)O)N(CC)C2=O)cc1 16927768 WORIDUMCLUUXHK-WXUMLGSOSA-N 426.494 4.503 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)c(OC)c1 33560621 CCLKGULYEIASJC-FSJBWODESA-N 432.428 4.548 30 10 IJEE N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)c1 34734264 SJYQXZUUIOPJOT-UHFFFAOYSA-N 442.494 4.711 30 10 IJEE CCOc1cc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 35444270 SEQRHLQIWWEZFC-VVNKITKKSA-N 445.471 4.562 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccccc3)oc12 39756913 VIFOOSBNCQPVMN-JOCHJYFZSA-N 440.455 4.615 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4cccnc4)ccc3C2=O)c2cc(OC)ccc21 41293605 SMBWEQRWZJTIRR-MYKKPKGFSA-N 440.455 4.900 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(Cc4ccccc4)CC3)C2=O)c1 41584904 OIPJXHBLJBTRKV-ONUIUJJFSA-N 440.543 4.635 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(C)cc2)n[nH]1)c1ccc2ccccc2c1 59021923 XOIURQUUCRERES-QQXSKIMKSA-N 430.537 4.833 30 10 IJEE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)[C@H]1CCCN(CCC#N)C1 62039387 REASAQHCCOCWHQ-IBGZPJMESA-N 439.581 4.718 30 10 IJEE CCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(C)C)cc1 100280627 WCOARQDAMCNLDI-QHCPKHFHSA-N 444.616 4.825 30 10 IJEE CCCCCOc1ccc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1OC 169913615 GPFFGYXNYNMXDK-IWIPYMOSSA-N 428.533 4.757 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1cccc(C)c1 169941916 LTVWNSICYJMLKA-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccnc2)ccc1F 170010008 NJUNCFFQWNUTKQ-FQEVSTJZSA-N 438.842 4.671 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccncc2)cc1 170014962 VBZYLSZQHAZAQL-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccncc3)nc2c1 170027302 XVQNIZRUJQKUBY-FQEVSTJZSA-N 444.878 4.703 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 170081563 QXSZQGYXIKTIRE-OAQYLSRUSA-N 449.846 4.557 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccc(O)cc1 170136693 PLCCPLMDULXVPG-LJQANCHMSA-N 444.325 4.842 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(O)cc1 170137258 HVUFSRHTKQLANX-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(C)c2)cc1C 170143591 IVTCFFZSMBPOFB-XUZZJYLKSA-N 449.547 4.850 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)c(C)c1 170172661 JZHORJLTUQOHFC-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccnc1 170191072 WXXDOEYDNWEKGX-QFIPXVFZSA-N 428.488 4.798 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccncc1 170211041 CLDYGYACUPSFJK-JOCHJYFZSA-N 438.524 4.648 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 170239667 ISAIHBITKVQISW-CMJOXMDJSA-N 429.447 4.932 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3ccccc3F)ccc2O1 170248962 ONOOYKQHAWRJBR-QKFKETGDSA-N 445.446 4.638 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cccc(O)c1 170263326 CUNCCZIAVNRAHO-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170289086 SBMYYIMHQHOSSC-JOCHJYFZSA-N 433.460 4.864 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC)c(O)c1 170322525 NSJZNUYNJDHYOC-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccccc2)cc(Cl)c1O 170366327 ZRAQJPOYKGGDGS-SFHVURJKSA-N 441.892 4.899 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170367949 VKBKILVDMHTZQH-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)cc1Cl 170376549 ZSSALSXDXDKDFW-IBGZPJMESA-N 427.815 4.864 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 170446249 OFQHKWITZGSEQZ-NRFANRHFSA-N 426.944 4.569 30 10 IJEE COC(=O)c1ccc(N=C2S/C(=C/c3ccc(OC)c4ccccc34)C(=O)N2C)cc1 254826682 IEWIMEOAORCFME-ZOQGDPGVSA-N 432.501 4.869 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 406877809 YYCKBAFARGWINT-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE C=CCN(C[C@@H](NCCC)c1c(Br)cnn1CCC)C(=O)OC(C)(C)C 407045778 YUVMGGWFZMGYQZ-MRXNPFEDSA-N 429.403 4.519 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1 442143817 XSKKGIJMVAEBCK-AYBZRNKSSA-N 425.554 4.921 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)c1 526489844 JSGWPRZKUXKSPC-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)c3c(F)cccc3I)c2C#N)C1 531600370 BSSUFWKQLXRQPX-VIFPVBQESA-N 440.281 4.741 30 10 IJEE CCn1c(COc2ccc(OCc3ccccc3)cc2)nnc1N1CCC(C)(C#N)CC1 549052897 FDZNLOKPEDQXSC-UHFFFAOYSA-N 431.540 4.586 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 549653986 HHMIACVYCBUQOI-SFHVURJKSA-N 438.551 4.734 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2ccccc2C)CC1 549675647 OYGKICOYZZXBPV-ZCYQVOJMSA-N 443.595 4.734 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 549684355 SLKWYPWDDCUFSN-OAQYLSRUSA-N 435.535 4.871 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 555265214 ILLSKLDWEHGOII-UHFFFAOYSA-N 447.558 4.502 30 10 IJEE C=CCn1c(SCc2ccn(C)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 557186398 HLNVKRQGSQJVBL-UHFFFAOYSA-N 426.542 4.784 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC3(CC3)c3ccccc32)n(Cc2ccc(F)cc2)c1C 571931803 ZDBBQKNYOKORCT-UHFFFAOYSA-N 428.511 4.654 30 10 IJEE C=CCN(CC=C)C(=O)N1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 585949665 BYFMSQOHTAJAKB-UHFFFAOYSA-N 431.580 4.583 30 10 IJEE C=C(COCCC)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693641097 UTPPTPNRAXGRQV-JYFHCDHNSA-N 445.648 4.507 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cncc1Br 698967584 JZRZLWUPUQZHDK-LBPRGKRZSA-N 433.144 4.818 30 10 IJEE C=CCC1([C@H](Cc2ccc(Br)c(F)c2F)NC)CN(C(=O)OC(C)(C)C)C1 722943043 YEHPDBKWDVGNTD-HNNXBMFYSA-N 445.348 4.671 30 10 IJEE COc1cc([C@H](C#N)NC(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc(OC)c1OC 742060300 PQYIXJQSKDQSQW-VEMDQMBVSA-N 434.414 4.516 30 10 IJEE N#Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c1 766957150 MSKQABCQBXJSCC-UHFFFAOYSA-N 441.491 4.573 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc2c(c1)CCO2 917612104 HBLRETDPANSVAU-UHFFFAOYSA-O 428.537 4.666 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3cccc4ccccc34)n[nH]2)cc1 1084200632 HAKKUMMFZPPQAI-UHFFFAOYSA-N 430.537 4.833 30 10 IJEE COc1ccccc1C=NNc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1 1084212828 ROGPLPSITSZNRG-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE N#CC[C@@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 1124485406 AOJWXICPWOCQNG-OAQYLSRUSA-N 433.552 4.896 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)c1 1125188071 XLWMOVZTDOECKP-DEOSSOPVSA-N 432.907 4.539 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2(C3(C)CC3)CC2)c1 1128966139 NVPKVMOLWFGKSW-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)CCCN1C(=O)OC(C)(C)C 1134526202 SDQOFKUYJCVMQP-IZZNHLLZSA-N 438.568 4.799 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@H]2C(F)F)nnc1-c1ccc(Cl)cc1Cl 1135034732 USZIKUIEMZNUJT-AWEZNQCLSA-N 447.338 4.786 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 1136915482 GALNPBVEOPMBAF-RBZQAINGSA-N 445.563 4.819 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 1141879576 CZWIMZFARRBRMR-FQEVSTJZSA-N 436.360 4.768 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)c3cc(CCc4ccccc4)ccc3O)CC2)nc1 1151347963 GCQOJVQWGRPNDT-UHFFFAOYSA-N 441.531 4.564 30 10 IJEE O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 1154403807 FMVREQGIYIELJR-SFHVURJKSA-N 448.382 4.886 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 1186394600 ALJCHJNDRURZLO-HKUYNNGSSA-N 442.325 4.601 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C(=O)c2ccccc2Cl)CC1)C(C)C 1220600939 YLNALPPSSQRYQA-QFIPXVFZSA-N 432.008 4.643 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1224389305 SCGKPVRSPRCAKH-DHIUTWEWSA-N 439.600 4.820 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 1227281554 QBMLMHWOVSUGSB-UHFFFAOYSA-N 430.379 4.803 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCn2c(CCc3ccccc3)nnc2C1)c1ccccc1 1254753333 AGWAFYVJXOJKHR-QHCPKHFHSA-N 429.568 4.686 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286356015 IJKMURAOSZVXOS-FQEVSTJZSA-N 435.597 4.728 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC=CCC1 1286534903 KJDVLRJKHDCDKA-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)CN(C)C)CC1 1286638044 SSRUXMKOLJFSJA-NRFANRHFSA-N 425.621 4.779 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(Br)s2)CC1 1286646820 WOHYTCVGQSAAIL-INIZCTEOSA-N 437.407 4.743 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2ccc(Cl)nc2C1 1286695885 MDEPEDWMPCTNRC-UHFFFAOYSA-N 439.947 4.540 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1ncc(CC)s1 1286772116 NQXRMJCIPAHIKZ-UHFFFAOYSA-N 435.553 4.958 30 10 IJEE C=CC[C@]1(C(=O)NCc2coc(-c3ccc(C)cc3)n2)CCCN1C(=O)OC(C)(C)C 1288695044 RYDDNSLVIOGQMH-XMMPIXPASA-N 425.529 4.612 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccsc1 1288943162 GPSNHOUCJSLNBG-VLIAUNLRSA-N 431.924 4.623 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1OC 1294551904 BCEGDRASHHGRIP-JEUHMDCOSA-N 446.591 4.786 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)CC)cc1OC 1294927765 AACBHJUMKDBIMI-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE CC[C@@H](Cc1ccccc1Br)NC(=O)CCCC(=O)Nc1ccccc1C#N 1294931167 BONYGCUNPCHULE-SFHVURJKSA-N 442.357 4.567 30 10 IJEE C#C[C@@H](NC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)c1ccc(Cl)cc1 1298926043 MWPHAOPHKIDLMO-GOSISDBHSA-N 429.973 4.956 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(C)C)[C@H](C)c2ccccc2Cl)c1 1299945567 YWEKRUUMSPGRHN-QGZVFWFLSA-N 434.989 4.664 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(OC)CCC(C)CC1 1300430465 MYCBEWXXPDSWKC-FRIYVGAWSA-N 430.980 4.736 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CC[C@@H](F)C1 1300509611 QJKGBEUDFDQQLM-IRFCIJBXSA-N 442.966 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCOc1ncccc1Cl 1300785661 AXFVDMZANCIKDV-CJFMBICVSA-N 449.986 4.940 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1300936856 PBYVMLCZSCXEAX-VQTJNVASSA-N 425.533 4.603 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1301096092 WOMLWSVNMYJHHJ-HSZRJFAPSA-N 449.599 4.998 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOc2ccc(Cl)cn2)CC1 1301127894 XHVOVYSLLDDUPG-UHFFFAOYSA-N 441.938 4.538 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(CC)s2)CC1 1301134413 JXMPWXVWMOLFHY-UHFFFAOYSA-N 438.597 4.940 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1301150550 WZXGHWQFJBKZNA-NRFANRHFSA-N 448.571 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1301154406 RKKUYYJDVOSVLN-LJQANCHMSA-N 441.576 4.645 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C2CC2)ccc1F 1301271288 QUZXWBLCIHEMGP-UHFFFAOYSA-N 444.352 4.733 30 10 IJEE C#CC[C@H]1CCN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1301428625 PAXDYIFUNSKNBV-FQEVSTJZSA-N 444.575 4.956 30 10 IJEE C=CCSCCn1c(N2CCC(CN(C)Cc3ccccc3)CC2)nnc1C(C)(C)C 1301621151 RUKUVLXOPNKYQP-UHFFFAOYSA-N 441.689 4.843 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N(CCC(C)C)C2CC2)c(C)o1 1304149302 FJVNQTPOFDGQBN-SANMLTNESA-N 447.583 4.949 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCSC1 1305601273 CBGJQLSMIFHIDL-QUCCMNQESA-N 427.618 4.744 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1306810656 HZGGEKSGCPTHBK-UHFFFAOYSA-N 448.571 4.795 30 10 IJEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N 1307565142 CSZBWDCUFSQEEE-GAJHUEQPSA-N 448.633 4.548 30 10 IJEE C=CCOc1ccccc1CN(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)c(C)c1 1307568802 FBVWNLOOSXEENP-JOCHJYFZSA-N 442.625 4.546 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 1310372955 ZTJLZVXWUJBZGZ-UHFFFAOYSA-N 427.423 4.725 30 10 IJEE C=CCN(CCC#N)C(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1311192630 WTCXDTJWOPZLNL-UHFFFAOYSA-N 437.203 4.552 30 10 IJEE CSc1nc(O)c(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)cc1C#N 1338359895 JZQOMBKUKJSFEN-OPAMFIHVSA-N 429.545 4.600 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1C 1350075681 AJQYULYSIGPAGA-UHFFFAOYSA-N 433.483 4.974 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 1351336316 OGJCPLCZILUHEM-QFIPXVFZSA-N 432.973 4.965 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1351959336 BJNOVRLMBGXTBR-NLFFAJNJSA-N 438.572 4.881 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 1357232764 UEZSQWCJYOAUHM-SANMLTNESA-N 435.568 4.667 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1358988221 IJXHPTKOKYIIRO-FCHUYYIVSA-N 432.612 4.911 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(C)CCCS1 1359016857 NTIMYWACSOFVGA-NFBKMPQASA-N 428.577 4.584 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCS1 1359066475 CDFYDIIVCFQAOG-LAUBAEHRSA-N 445.430 4.904 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1OCCC1(C)C 1359109667 KDBMTCPFTVOHRQ-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(C)(C)COC)CC1 1359160718 AWETVAUCBZUWSQ-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cnn(CC(C)C)c2C)CC1 1359166222 KIBXRLSPPHWTAV-UHFFFAOYSA-N 439.007 4.888 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1359175254 FNOOZAFKNOPIKF-UHFFFAOYSA-N 438.601 4.553 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC(F)C1 1359211465 DYNACVKVVOPGNE-UHFFFAOYSA-N 425.321 4.997 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](N2CCCCC2)C1 1359212480 NFCALEUNXORJMI-GOSISDBHSA-N 444.421 4.738 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCC[C@@H]1C)C1CC1 1359248101 ANKUQQOEUBQWNC-KRWDZBQOSA-N 444.421 4.655 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N1CCC(C)CC1 1359273847 QLIPASZHDLBMJI-OAQYLSRUSA-N 432.616 4.649 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1cc(C2CC2)ccc1F 1359926827 DBLSVQSQDDGIRO-UHFFFAOYSA-N 433.535 4.566 30 10 IJEE C#CC1CCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 1452176747 MLJZMOBLJGELEA-GOSISDBHSA-N 425.356 4.773 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@](CC)(C(=O)OC)c2ccc(Cl)cc2)cc1OC 1459979911 IXGHZPKOZVFIGM-VZAKSBQTSA-N 443.927 4.521 30 10 IJEE CCOc1cc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)ccc1OCC(=O)OC 1460375009 BFVLWDRQADNZGA-UONOGXRCSA-N 442.537 4.508 30 10 IJEE C=CCCSCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 1461409044 OMKRSBNFJSVGIM-KNQAVFIVSA-N 428.623 4.966 30 10 IJEE CC(C)(C)CCOc1cnccc1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1466342925 GKDJLMKMAGRHPO-UHFFFAOYSA-N 436.434 4.989 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3ncc(Br)cc3C#N)cc2C1 1472694444 TVRABLSEZBKTIX-UHFFFAOYSA-N 429.318 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 1474485560 NKZWZJVDXYCYDH-HNAYVOBHSA-N 439.503 4.917 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)N2CCCCC[C@H]2c2ccccc2)cc1Br 1474903676 BZTCGGAVJMAAQS-SFHVURJKSA-N 437.334 4.766 30 10 IJEE C#C[C@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1ccc(Cl)cc1 1476461841 KBXBZPUSERLETM-SFHVURJKSA-N 443.732 4.843 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1noc2ccc(F)cc12 1479146368 BXIKFBDRDYTHFN-UHFFFAOYSA-N 436.256 4.766 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)[C@H](C)CC 1507517004 FBFAFGYDDHPPFB-QZTJIDSGSA-N 436.629 4.565 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507559813 ZJFPQDCWMBMBCJ-QGZVFWFLSA-N 443.979 4.505 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)c1ccccn1 1507618742 PKCDYILDYLBFLW-UHFFFAOYSA-N 431.584 4.597 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCC[C@@H]1C 1507680383 AINYDLUEGPMTCW-INIZCTEOSA-N 428.005 4.757 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1cscc1C 1507699610 HGDGHVJKVGSTMH-UHFFFAOYSA-N 431.540 4.846 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2CC(OCC)C2)CC1 1507877267 FUDHWXBJPNVGPY-UHFFFAOYSA-N 432.515 4.908 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)COCC)CC1 1507881489 UZCZWHSSMWEOOB-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507883910 BLRAUFFXRGTROQ-IBGZPJMESA-N 431.625 4.670 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnccn1 1508152441 YJNQUVAIZWSIQI-UHFFFAOYSA-N 435.384 4.598 30 10 IJEE N#CCC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1521143039 CNIFWZPGLGKUID-UHFFFAOYSA-N 444.436 4.676 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H]1n1cccn1 1521747975 HNVWZQOIHQLNPK-MDNUFGMLSA-N 448.498 4.613 30 10 IJEE C=CCC(F)(F)C(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 1525308528 REBNKFDEPQARDG-MRXNPFEDSA-N 434.346 4.764 30 10 IJEE Cc1cc(Br)c(COC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1Cl 1528369076 DYKJIEPRYZYIRO-UHFFFAOYSA-N 430.689 4.825 30 10 IJEE N#Cc1cc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cs1 1529689504 GYGPHAJOBYJZQW-UHFFFAOYSA-N 440.322 4.565 30 10 IJEE CCN(C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)[C@@H](C)C#N 1533905803 DZOHPUAPTAEPRJ-HNNXBMFYSA-N 437.927 4.603 30 10 IJEE CCc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)nnn1Cc1ccccc1 1534340112 DMCWBPZJNBAXRM-QGZVFWFLSA-N 433.581 4.835 30 10 IJEE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 1534555994 DHSJEMGZUQNIEE-XZOQPEGZSA-N 445.544 4.718 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 1535567176 OIYBPRDTCDWDAS-GOSISDBHSA-N 430.342 4.977 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(C)c(C(=O)c3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1536178942 DVQSROXOZZBOOI-HHHXNRCGSA-N 446.547 4.958 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 1537448739 YSBYPRXPUQAODQ-LJAQVGFWSA-N 444.456 4.945 30 10 IJEE COc1ccccc1Cn1cnc2cc(C(=O)NCc3ccc(C#N)c(Cl)c3)ccc21 1538238049 DZVCOZBAHOIQQA-UHFFFAOYSA-N 430.895 4.548 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCC2CCCC2)c1 1539040356 RKAJOZJZMDJMHQ-UHFFFAOYSA-N 445.567 4.873 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCC1(C)C 1539301307 OCKPRRFWDIQONO-LJQANCHMSA-N 439.401 4.997 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1539690718 GMAKAMWEMIPWAR-PMACEKPBSA-N 430.980 4.967 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 1539751559 PJGFBWKLUYKREM-IBGZPJMESA-N 449.393 4.511 30 10 IJEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1539769781 BLNBJWDMDCBPAN-UNMCSNQZSA-N 438.597 4.722 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1539779567 BJNLLAIPGQJWRS-ZIAGYGMSSA-N 437.769 4.703 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1539888224 NWKADAWPVZMPAH-TZIWHRDSSA-N 428.552 4.571 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCN(CC(C)C)C1 1540062260 JDABIFAKNNFNDQ-GOSISDBHSA-N 446.437 4.698 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CCOc1ccc(Cl)cn1)C1CC1 1540098414 BLYLPHCBXKBZQI-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1CC(F)(F)Br 1540119960 NSOQWUWAGJVCSD-UHFFFAOYSA-N 429.309 4.590 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@@H](O)C1 1540140929 WVTBDPYILZUTLL-RTBURBONSA-N 438.597 4.759 30 10 IJEE C=CCc1cc(CNC(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)cc(OC)c1OC 1544363307 SBUBINWNPBQNLV-UHFFFAOYSA-N 439.552 4.578 30 10 IJEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1548082351 AJEUGFPTLRYYBC-UHFFFAOYSA-N 435.494 4.691 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 1556571953 DUOHFBBVPPIWKY-MJGOQNOKSA-N 438.490 4.718 30 10 IJEE C#CCN(C(=O)c1ccc(C#Cc2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370477 NNGXFOYRRQCOFA-UHFFFAOYSA-N 442.559 4.561 30 10 IJEE C=C1CCC(CNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)CC1 1561905672 XCTQEAWAXKWCJD-IZZNHLLZSA-N 438.637 4.629 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1 1565078153 YNPQPBZBMJGULG-PKTZIBPZSA-N 427.976 4.942 30 10 IJEE Cc1csc(Oc2ccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cc2F)n1 1568159282 DWCYHAJRRXUKKJ-HNNXBMFYSA-N 440.475 4.859 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1ccccc1 1583037501 MYFGPQRGBJYRHX-VWLOTQADSA-N 438.527 4.963 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccn(-c2c(F)cccc2F)n1 1584641454 AGLKMDGQZMOXNI-UHFFFAOYSA-N 434.240 4.730 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccco1)N1CCCC1 1587679295 ZRWPSTUIDUAEHQ-IFMALSPDSA-N 449.624 4.767 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1587706934 UQNJWKHDGARAIZ-CTNGQTDRSA-N 447.549 4.696 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C1CCN(CCC)CC1 1587807969 LPGZLHSLLOTNJC-JOCHJYFZSA-N 437.632 4.759 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)c2C#N)[C@H](C)C1 1588270444 DRDCTJHTWSSGGE-UONOGXRCSA-N 440.569 4.978 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1csc(C)c1 1588281025 WJPAOAVLGDRUKW-UHFFFAOYSA-N 433.350 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCC[C@H]1CCCCO1 1589242819 KYJFZIHIICPVJU-ATIYNZHBSA-N 436.600 4.815 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCCS2)CC1 1594070833 NSZDEWDHMLVKFS-LJQANCHMSA-N 428.602 4.793 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1594473306 QCJJLVSHKCLLEL-CALCHBBNSA-N 430.618 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)CC1CCC1 1594483829 FEGZWUGCYUYJFI-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21 1595120671 YCINQRMYYXQGLL-HXUWFJFHSA-N 436.579 4.990 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CCN1CCc2sccc2C1 1595196268 OMKURRCEEPKIIQ-UHFFFAOYSA-N 440.016 4.897 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC(F)(F)C1 1595261936 XHGTYIBRSCKGOJ-GOSISDBHSA-N 427.499 4.527 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)c(C(=O)OCC)c1 1597039397 LQRYBIPTLFYJCB-UHFFFAOYSA-N 425.872 4.520 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCSC2)cc1 1607164981 CEQXQBZKSBNBFV-FDDCHVKYSA-N 443.592 4.565 30 10 IJEE C[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1612996976 HTEFPTJTCIRLLS-YJBOKZPZSA-N 441.988 4.841 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1CSC)N(C)C 1613507260 AORUFWLQXYVCQT-VXKWHMMOSA-N 440.661 4.515 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 1625190601 ZIPSUHWTUNSCDB-NHCUHLMSSA-N 426.944 4.852 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 1627182304 ZVBOQPNJXWFSES-QGZVFWFLSA-N 426.344 4.516 30 10 IJEE C=CCCc1ccccc1NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1634902593 WKTQCQZUDIGPER-UHFFFAOYSA-N 447.576 4.506 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NCc1ccc(C#N)cc1Br)C1CCCCC1 1642424800 GXYCYMSFFTUKCG-IBGZPJMESA-N 436.394 4.884 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1nccc(Oc2cccc(C#N)c2)n1 1643243578 HUCYFMZGNPGGNP-IFMALSPDSA-N 443.507 4.743 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCC(=O)c3cc(Br)ccc3OC)cc2n1 1645276051 PYFDAWNGWBMCAQ-UHFFFAOYSA-N 442.313 4.595 30 10 IJEE CC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c2ccccc2O1 1652595123 GKIPWNSJIGJFPD-OAQYLSRUSA-N 446.526 4.780 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1654439424 FPJYTWMCQVRARS-KRWDZBQOSA-N 426.542 4.870 30 10 IJEE Cc1oc(NC(=O)CN[C@H](Cc2ccccc2)c2nc3ccccc3s2)c(C#N)c1C 1654460880 BVBYWINOOUCPRU-HXUWFJFHSA-N 430.533 4.890 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 1654476162 BKLFSDVHVRSKGZ-NYHFZMIOSA-N 429.923 4.864 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc2c(cc1Br)OCCCO2 1658619903 FRSMFEVIDKHEGK-UHFFFAOYSA-N 434.378 4.966 30 10 IJEE Cc1nn(-c2ccccc2Cl)cc1CN1CCN(c2ccc(C#N)cc2Cl)CC1 1659028053 CXYBTTWRZYAKPB-UHFFFAOYSA-N 426.351 4.681 30 10 IJEE C#CC1(O)CCN([C@H](C)C(=O)Nc2nc(-c3ccc(CCCCCC)cc3)cs2)CC1 1659570924 BIHYLQFNLNHTTB-LJQANCHMSA-N 439.625 4.720 30 10 IJEE O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1C[C@@H]1c1cccc(F)c1 1661109675 BAFHNWKFWOBOME-OWCLPIDISA-N 441.368 4.923 30 10 IJEE Cc1cc(S(=O)(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)ccc1C#N 1661512606 CRLFIFXGUVELFK-IBGZPJMESA-N 437.334 4.588 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCC([C@H]3CCCCO3)CC2)n(-c2ccc(C#N)cc2)n1 1661695191 CSQRFIIMCSGBHE-OAQYLSRUSA-N 435.572 4.854 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1662648589 BBRYSQBJIPZVJW-NSHDSACASA-N 447.276 4.721 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnc(OC)c(Br)c1C 1664684789 SWHSOFHQBBJKOW-UHFFFAOYSA-N 436.354 4.549 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(OCCCOc3ccccc3)c(Cl)c2)CCOCC1 1664940957 HYTRXHWCXIOETK-UHFFFAOYSA-N 442.943 4.882 30 10 IJEE C#Cc1cccc(NC(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)c1 1666473723 XULGNMBWVATUFZ-CPJSRVTESA-N 431.580 4.685 30 10 IJEE CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N(CCOC)Cc1ccc(C#N)cc1 1669592768 HPJFVPJGMLKCIN-FQEVSTJZSA-N 433.474 4.756 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 1670053443 BGBUZXUURQFQTB-HXUWFJFHSA-N 434.565 4.622 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Br)c(C(=O)OC)c1C 1671068164 PXFFOOAKNCKJNA-INIZCTEOSA-N 431.330 4.853 30 10 IJEE C=CCCCCCCCNC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1673406213 NQWYGGKGCUZXSG-DLBZAZTESA-N 435.531 4.858 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 1677417103 HNTTZNLWCCVSOY-VXKWHMMOSA-N 440.588 4.708 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1679173917 SITFIHWQSTYLRF-RBUKOAKNSA-N 433.474 4.651 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)c1ccccc1 1679252359 RZBGLGJHZPFQPJ-NRFANRHFSA-N 429.923 4.654 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c(Cl)c1 1680875197 KPTNDGPTUJQFKL-LJQANCHMSA-N 445.869 4.775 30 10 IJEE C=CC[C@@H](CC)NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1681887512 LOGDBPDTEFXGEK-HXUWFJFHSA-N 443.588 4.715 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1)c1ccc(Br)cc1 1683512825 RBNMUHHKILYOEE-KXBFYZLASA-N 447.760 4.990 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1684450291 VCHGJBCHHHBTRM-NMIHRBCNSA-N 427.589 4.951 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@H](CSc2ccccc2)C1)c1ccc(Br)cc1 1686919547 HNZJKXZAJMZOJZ-UZLBHIALSA-N 429.383 4.947 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@H](C(C)C)C1 1689914913 JCJWCYCPUVHFCV-SFHVURJKSA-N 433.419 4.699 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccnc(C(F)(F)F)c1 1689951473 ZATIONAMYRQKCU-AWEZNQCLSA-N 445.514 4.663 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)SC 1690196438 KLXDQVSGCWVIDI-SJKOYZFVSA-N 425.421 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1690236512 NWNZZIJPODYBHV-JBACZVJFSA-N 430.980 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1690260416 KIUPVEJIGGNNAT-UHFFFAOYSA-N 449.546 4.816 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1CC 1690320627 YMPYFYYKPYTDFQ-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690406768 RUTOVVMUHUJWLP-MSOLQXFVSA-N 445.405 4.661 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2c(ccnc2O)C1 1690451769 OVTVHMKNFXJTGC-KRWDZBQOSA-N 437.519 4.577 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](NC(C)=O)C1 1690455885 PNPCDFOPBCALKU-XLIONFOSSA-N 441.645 4.593 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C2CC2)C1 1690463006 SYGXYOKSPDYOJR-NHCUHLMSSA-N 443.636 4.985 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CCOc1ncccc1Cl)C1CC1 1690539148 VWDHQVYAOYALMJ-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1690546549 AVKCXPJGACDAFT-BGYRXZFFSA-N 425.596 4.531 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1692292263 IDJKKMARNTYGKF-JWQCQUIFSA-N 434.588 4.744 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1705523162 LRTXDYUWBVHKKH-WRURNZQNSA-N 429.609 4.572 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCC(F)(F)C1 1705548275 BKOUSVALBYRPES-OAHLLOKOSA-N 437.332 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCO[C@H](CCc2ccccc2)C1 1705694091 NWHDNRYGBVHOPE-BUZMGHMJSA-N 438.616 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(C)cs1 1705696558 ORDFZTRVPICYTO-XLIONFOSSA-N 444.004 4.981 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1705797180 RLAPDDNHLPBDIM-XZOQPEGZSA-N 438.616 4.785 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1705807584 ICIIUYOJYQUUGX-SFHVURJKSA-N 444.004 4.913 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCSC1(C)C 1705858410 WQQDKPLPDPPICE-TZIWHRDSSA-N 442.629 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCN(C)C1CCCCC1 1705865638 PJSNZKTVEBDBCU-UHFFFAOYSA-N 436.629 4.859 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705887437 HBWIQSMIZSGGID-HXUWFJFHSA-N 425.577 4.529 30 10 IJEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705888088 DYAKFOIBCSBMEI-IBGZPJMESA-N 438.576 4.520 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1705892194 KESLLDUKPJUGST-FQEVSTJZSA-N 437.613 4.605 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](SC)C(C)(C)C)C1 1705928083 BBYSPVMVZASWLB-FXAWDEMLSA-N 448.608 4.555 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)Cc1csc(Br)c1 1722318362 ZNLWJLQZLSWKLL-UHFFFAOYSA-N 444.402 4.528 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1722340805 IQOPERHQNHZXSY-WOZUAGRISA-N 441.620 4.778 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(C)c1 1722419656 BIWNETMUQDVKGB-UHFFFAOYSA-N 434.609 4.718 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1csc(C(C)C)n1 1722430417 FGRPNYXBRFFJEI-UHFFFAOYSA-N 446.580 4.882 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOCC(F)F 1722469523 GTYGAFHBKZRUSH-HSZRJFAPSA-N 448.583 4.939 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1722512495 DQUNWZBMFFJYIG-XMMPIXPASA-N 432.616 4.832 30 10 IJEE C=C(C)COCCn1c(N(C)Cc2cc(Br)cs2)nnc1C(C)(C)C 1722537358 YGOMURLCETYMJI-UHFFFAOYSA-N 427.412 4.629 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC[C@H]1C)c1ccccc1 1722540630 FXTYVMYRQOXWEZ-HMXCVIKNSA-N 426.630 4.852 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN(C)CC(F)(F)F 1722634191 AHXXFJRDZPVWQB-HNNXBMFYSA-N 441.567 4.638 30 10 IJEE CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](c1ccco1)N1CCCCC1 1723139225 FKSJQMQORCRILK-JOCHJYFZSA-N 432.572 4.730 30 10 IJEE N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1731185373 ADELPHFMEWVQLZ-OAHLLOKOSA-N 437.441 4.722 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1C 1740541220 VBFJWFQTQFMNTP-HNNXBMFYSA-N 429.387 4.778 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(Br)cs1 1740631734 WREDLACXGCGGMN-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCC(F)(F)F 1740650192 RUGKCBFFVICZNK-INIZCTEOSA-N 434.531 4.937 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOC)CCCC1 1740650944 UGFLQYZUAMGDEN-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](CC(C)C)N(C)C 1740728084 LMHBWHKXUUCARP-NTKDMRAZSA-N 444.023 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC(=O)NC1CC1 1740769957 AIRDSECJGDCGKF-UHFFFAOYSA-N 436.387 4.713 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC)CC1 1740787536 FLLUCCGMSLSNCL-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1740826461 LXKDGDYHEXLGMH-JOCHJYFZSA-N 428.024 4.799 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C3CC3)ccc2F)CC1 1740834145 LEVJRYVVINBBFY-UHFFFAOYSA-N 439.579 4.664 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1740844961 ZHTDWXQBAPPGEW-FQEVSTJZSA-N 449.599 4.646 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740866081 VVUAZRCLVZKYRZ-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1ccccn1)C1CC1 1740913118 FLNVUWBEOOOITG-UHFFFAOYSA-N 431.584 4.947 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCc1cc(F)cc(F)c1 1740937768 OJAKZIICZKQUNN-QFIPXVFZSA-N 442.510 4.869 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740997461 SWUOEEHZFOGYAK-QGZVFWFLSA-N 444.992 4.593 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCC#N)CC1CC1 1741301161 BRLIREGOXMSXCA-DEOSSOPVSA-N 441.645 4.813 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H](C)C#N 1741495920 DLDTVIUTXCRHJU-RHGYRFJNSA-N 443.661 4.914 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1(O)CCCC1(C)C 1748646492 ABGXAGVAGRJCSZ-GKVSMKOHSA-N 449.624 4.776 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2nccs2)CC1 1748706291 GRTTZLZTBGAIMC-UHFFFAOYSA-N 426.977 4.638 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H]1CCCCN1CCC 1748940268 GZEFIFUPWVLYET-NFBKMPQASA-N 425.596 4.835 30 10 IJEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1749031584 BJFBBJJGGINSTD-UHFFFAOYSA-N 449.477 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCCC[C@@H]1C 1749149045 OXKQNMOFHMPTBY-FQEVSTJZSA-N 439.604 4.731 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1749207209 FTALJOFHODCPGH-NRFANRHFSA-N 449.643 4.703 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1 1749218752 VWTXPHYZACTOLC-HZPDHXFCSA-N 437.009 4.530 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1749303678 NDTQWPPZAFVOSX-WOJBJXKFSA-N 443.636 4.985 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(C)(C)OC[C@@H]1C 1749447484 FQSWJBDTBFWPSD-ROUUACIJSA-N 444.645 4.728 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCCCCC[C@H]21 1749448940 GEDMMTZLJSHGHB-SIKLNZKXSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCN(C)C1CCCC1 1749528367 MUQPPKCNGAYYNV-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1749553632 JPXHVOOERDSBLO-SFHVURJKSA-N 445.633 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1749561151 HKQVLACCQUQFME-NHCUHLMSSA-N 437.632 4.889 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nccs1 1749592828 ZTFYJICWUZMXDW-UHFFFAOYSA-N 446.001 4.957 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1C(C)(C)C 1749690123 RIDMLBOEDCGHSK-RUZDIDTESA-N 426.605 4.830 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1749751550 YOPFBAJLCJNBOI-PGRDOPGGSA-N 437.613 4.799 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1C 1749810177 ALSGLVSBGINPSA-GCJKJVERSA-N 433.556 4.807 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H]2C(C)C)C1 1750830684 GAAICDYRMXSUAL-LADGPHEKSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCN(C(C)C)C1 1760106036 JCTDLNCNDYFWNP-DLBZAZTESA-N 434.415 4.830 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1760289270 LGVUGSBTRUJCJI-CJFMBICVSA-N 440.035 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)c1cccs1 1760340850 QHSKYPGXXPTPSE-XMMPIXPASA-N 440.613 4.846 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760409576 ZQTXGCKBIISVSX-GOSISDBHSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760415881 NFPJPJADCQCZFK-QRVBRYPASA-N 431.625 4.887 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C)CC1)c1ccccc1 1760416370 BMIOKLJNGLDAHF-OAQYLSRUSA-N 444.583 4.912 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1760447757 QKEGRQAEPSLYLC-QZTJIDSGSA-N 431.378 4.535 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760447765 QOKWVFDCQNXTRU-NVXWUHKLSA-N 436.398 4.643 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1760448330 ZNELHIUKZVXXRX-WOJBJXKFSA-N 445.007 4.834 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1C 1760501015 DXCLNQCDRFEZCE-YZGWKJHDSA-N 441.576 4.759 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@@H]1CSCCS1 1760501549 UMGZQYBEXZBCLE-LJQANCHMSA-N 446.667 4.607 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(F)(F)F)c2)C1 1760546529 QDQSUPUGEAUAFC-IBGZPJMESA-N 448.514 4.779 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)[C@@H]1C 1760561896 PTHLJIUQVHFGKP-LSDHHAIUSA-N 439.050 4.857 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@@H](F)C1 1760688357 GPSMIEGFVIGWFU-HZSPNIEDSA-N 438.320 4.581 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@@H](SC)C2)CCC1 1769579292 ADLZQUGBGKETJE-OAQYLSRUSA-N 439.629 4.745 30 10 IJEE COc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 1857811292 NELOFFVLUMGKDW-UCQKPKSFSA-N 433.562 4.930 30 10 IJEE CCc1cccc(CC)c1NC(=O)COc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858828901 FOQUGZPKQHDIIU-UHFFFAOYSA-N 443.507 4.740 30 10 IJEE N#Cc1cccc(NC(=O)Nc2ncccc2OCC(=O)Nc2cccc3ccccc23)c1 1858831141 LXRWKXGOCJADGD-UHFFFAOYSA-N 437.459 4.768 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2c(C)c3cc(Cl)c(C)cc3oc2=O)c(C#N)c1C 1859735985 GYYNJCWVRVITEY-UHFFFAOYSA-N 444.896 4.734 30 10 IJEE N#Cc1ccccc1NC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 1860587845 ABQZFOOKZUERGA-UHFFFAOYSA-N 437.543 4.958 30 10 IJEE CCOc1cccc(C(=O)N2CCC(C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)c1 1860632169 YGOMXHGGTNHCSJ-UHFFFAOYSA-N 439.581 4.807 30 10 IJEE CC(C)(C)c1nc2ccc(C(=O)NCCCCCC(=O)Nc3ccc(C#N)cc3)cc2[nH]1 1860855767 DBUOFUYWZKVMFR-UHFFFAOYSA-N 431.540 4.661 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc2ccccc12)c1ccc(Cl)cc1Cl 1862384207 VSRNWMLQUDVRPQ-HXUWFJFHSA-N 442.298 4.717 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCOC(C)C)cc1 1862413348 AQPYPJWXLMQLCG-NRFANRHFSA-N 429.463 4.531 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862483432 AACDCKVDSCVJLR-IBGZPJMESA-N 429.900 4.741 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(=O)O)cc2)c1 1862493635 VBKZHTNKQNSSLQ-QHCPKHFHSA-N 441.483 4.780 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862536720 FTWQUPSRBWNOLU-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)CC)cc1OCC 1862602199 WSKHBNTUBQVFBR-QRQCRPRQSA-N 439.508 4.566 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2c(F)cccc2Cl)cc1 1862620289 PAOIFGVNYGXTGD-HXUWFJFHSA-N 445.918 4.737 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc3ccccc23)cc1 1862692110 DBQBABRZSNVXOO-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccc(F)c2)c1 1862702470 CWXMIBVLSUQUIR-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCCOc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 1862768589 VEAKIGVAWRZTJJ-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863151699 IKHNSRDESIKKEU-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1863216646 WSRMKNFAOBGVQU-VGOFRKELSA-N 429.520 4.728 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccco1 1864462686 BDFPYQLHLMSZDT-FQEVSTJZSA-N 448.567 4.851 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(Cc3cccc(C)c3)CC2)nc(-c2ccccc2)n1 1867972695 RDLVADWSSOBLQT-UHFFFAOYSA-N 439.607 4.953 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2C[C@@H](C)Cc3cc(OC)ccc32)n1 1868262474 VWZAVYNOQLAVHN-KRWDZBQOSA-N 429.524 4.620 30 10 IJEE Cc1cccc(OCCCC(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)c1 1870110459 RTRKZBHYCSKUTM-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870162214 ORQRSLGCAAQCKP-LSDHHAIUSA-N 432.698 4.841 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1CCCCCCO 1870465891 VXZSOZYKOGTQOS-UHFFFAOYSA-N 438.612 4.716 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871251125 OMYYHBJXZCQFSS-UHFFFAOYSA-N 445.563 4.955 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O3)CN(CCN(C)C)CO2 1871346557 LYPVNCFKCLPDAE-OCKHKDLRSA-N 433.335 4.632 30 10 IJEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)c(OC)c1OC)C3=O 1871346697 RRXRGWNUXBZLMS-NDENLUEZSA-N 439.508 4.589 30 10 IJEE Cc1cc(OC(=O)c2cnccn2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871370200 UJJHSECTBFYALR-NVMNQCDNSA-N 427.243 4.927 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 1871441085 WZOWIMKEFIBDGV-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871789822 JSMKXORVFYJSBO-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 1872358633 UWNCSRUBUFIEIX-LJQANCHMSA-N 440.487 4.690 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(F)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872380512 OQMLNUQBWHRRNQ-KUHUBIRLSA-N 442.553 4.647 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872434428 QERMRBVELIPUDK-NRFANRHFSA-N 434.989 4.859 30 10 IJEE COc1cccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cc(C)ccc3C)C2=O)c1 1873218031 XDCANANKOJBVDB-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE C=CCNC(=O)c1ccc(Cn2c(Cc3ccc(NC(C)=O)cc3)nc3ccccc32)cc1 1873508986 ZXPBAUDFCDGINS-UHFFFAOYSA-N 438.531 4.550 30 10 IJEE Cc1cc(OCc2nnc(SCCO)n2/N=C/c2ccc(C(C)C)cc2)ccc1Cl 1874231511 NSYQZWFWUYXUQP-ZMOGYAJESA-N 444.988 4.909 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1c[nH]c2ccccc12 1874241425 GHDQTUVBLFCBMJ-MFKUBSTISA-N 433.537 4.897 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc([N+](=O)[O-])c1 1874244016 KLVPPEICKZBUQG-OEAKJJBVSA-N 425.558 4.939 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874473357 ALMKJDXCLNUWEZ-YZSQISJMSA-N 445.592 4.861 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1F 1874483523 AAFKKCRXGZIRFN-OPEKNORGSA-N 447.486 4.606 30 10 IJEE C=CCSc1nnc(C(C)C)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874514267 PTUWYAFKHOLENV-BUVRLJJBSA-N 436.537 4.790 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1c(F)cccc1Cl)Nc1ccccc1F 1874516578 FLRKDVQBVFDXEX-YSURURNPSA-N 447.898 4.700 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccccc2OC)cccc1OC 1874576960 ORJATEUWXBQIGW-CCEZHUSRSA-N 425.525 4.627 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 1874594855 HFWFKXKCJWZXPB-POUQMFDLSA-N 445.515 4.856 30 10 IJEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1875150718 BDCMNEHDMIYPFC-RMKNXTFCSA-N 431.400 4.747 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875158593 DGLGZHUGQGSNQE-WUXMJOGZSA-N 435.407 4.787 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3c[nH]c4ccccc34)ncnc2n1CCC 1875204651 XUSLCYXWOFILER-UHFFFAOYSA-N 442.567 4.791 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)c3cccc(-n4ccc5ccccc54)c3)CC2)c1 1891611768 HSFJSGBERSMRSP-UHFFFAOYSA-N 436.515 4.828 30 10 IJEE O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@@H](COc2cc(C(F)(F)F)ccn2)C1 1891852674 JJGCTYTXBMPVFX-SNVBAGLBSA-N 436.327 4.588 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@](C)(O)c1cccc(NC(=O)OC(C)(C)C)c1 1922074748 QHBPYBJRAZOPHH-DHLKQENFSA-N 426.557 4.602 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1951533076 REOKKVZNQBLNRY-RPWUZVMVSA-N 438.483 4.607 30 10 IJEE CC(C)(C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)C(F)(F)C(F)(F)F 1951901747 VHVCATFMGJYHSD-LLVKDONJSA-N 433.320 4.615 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1ccc(C#N)cc1Br 1954225209 SKINYCVKPDKTGD-UHFFFAOYSA-N 430.346 4.852 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC23CN(C(=O)OC(C)(C)C)C3)cc1 2059128583 DNPQPXBUXZILFD-DEOSSOPVSA-N 443.544 4.730 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cc(Br)cs1 2066515761 FCZPRNLDLTYWPL-GXTWGEPZSA-N 431.396 4.890 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(O)c1 2079848581 JXIZWWHRBGPNDI-AWEZNQCLSA-N 430.224 4.640 30 10 IJEE Nc1c(C(=O)O)c(C(F)(F)F)nn1[C@H](c1ccc(C(F)(F)F)cc1F)C1CCC1 2079971476 HQVBRBUWQWPUGF-LBPRGKRZSA-N 425.304 4.730 30 10 IJEE CCOc1ccc([C@@H](CC)n2nc(C(F)F)c(C#N)c2I)cc1 2080117317 CKCXQRZGPFLALZ-CYBMUJFWSA-N 431.224 4.695 30 10 IJEE N#Cc1cnc2c(-c3ccc(I)cc3)c(C3CCCCC3)nn2c1O 2081545787 UXLLOGAIJGYYPG-UHFFFAOYSA-N 444.276 4.626 30 10 IJEE CC1(C)OB(c2ccc(CN(Cc3ccccc3)CC3CCOCC3)c(F)c2)OC1(C)C 2095821225 ROZUYYADSQINFI-UHFFFAOYSA-N 439.380 4.554 30 10 IJEE Cc1cc(C#CCCO)cc(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1 2095882518 CXJPWQANAFISSC-UHFFFAOYSA-N 440.587 4.503 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C1 2106023877 MAFQBYNUVJGWKE-JSGCOSHPSA-N 426.330 4.955 30 10 IJEE N#Cc1ncc(Br)cc1NCc1c(Br)cccc1Br 2111323412 KMOBSXUFLDJHSE-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE C[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2118198320 FTNQPCZCGOACCC-TZMCWYRMSA-N 426.330 4.589 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2142154545 BXAUUPUKINZSFW-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(c2ccc(C#N)c(Br)c2)CC1 2174768011 QJZXORDNHHPENA-OAHLLOKOSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CN(c2ccc(Br)cc2C#N)C2CC2)CC1 2174809458 AAEUMFOXWBHFMX-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1 2180911830 GOKTZTPJWMTTOJ-KGLIPLIRSA-N 436.350 4.590 30 10 IJEE CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(C#N)cc1Br 2181052956 IQJFHPXQDITNBV-CQSZACIVSA-N 438.366 4.980 30 10 IJEE CC1(C)CCC[C@](CNC(=O)OC(C)(C)C)(Oc2cc(Br)cnc2C#N)C1 2201447388 IMMCWDQELKNPCA-FQEVSTJZSA-N 438.366 4.958 30 10 IJEE C=C([C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221685084 MRALNGPUACAYQN-IAGOWNOFSA-N 427.459 4.646 30 10 IJEE Cc1sc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c(Br)c1C 2231047756 JIGDOLXNJKOORR-UHFFFAOYSA-N 428.201 4.826 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235733790 UYEIEIWJPUPHDU-FUHWJXTLSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](CC1CCCC1)NC(=O)OC(C)(C)C 2235734641 WZJMVEDYXCZSQS-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@@H](O)C#Cc2ccccc2Br)C1 2235740643 QBTBQKBUCUJUNX-HKUYNNGSSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@H](N)C#Cc1ccccc1Br 2235745977 GRJZVJWJIZWQFQ-DENIHFKCSA-N 435.406 4.992 30 10 IJEE CC1(NC(=O)OCc2ccccc2)CCC(C#N)(N(C(=O)OC(C)(C)C)C2CC2)CC1 2241906253 WHZZGFVXXBZGLV-UHFFFAOYSA-N 427.545 4.907 30 10 IJEE CCN[C@@H](C#Cc1ccccc1F)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255274506 ZKBMWAHEPCHUOE-GOTSBHOMSA-N 440.559 4.656 30 10 IJEE CN(Cc1ccccc1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(=O)OC(C)(C)C 2265993639 YZRZGZQANGMRSB-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267580806 KGOSPIHNUOBOEM-ZWKOTPCHSA-N 444.381 4.867 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296218200 BOCNEAUHBZEAHQ-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@@H](N)C#Cc1cccc(Br)c1 2296219980 TYUATXYIEOCEDE-PMACEKPBSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](O)(C#Cc2ccc(Br)cc2)CC12CCCC2 2296286342 KGZRFZBYHLAKLX-JOCHJYFZSA-N 434.374 4.875 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296305605 WCGABWBYQQYCCD-SFHVURJKSA-N 439.369 4.505 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2296310812 ODOSSVSIVJFFGH-DENIHFKCSA-N 435.406 4.958 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)c(C)c1 2296604247 RUIAUKSAMPMNPW-QFIPXVFZSA-N 448.906 4.674 30 10 IJEE CCc1ccc([C@H]2C(=C(O)c3ccc(OC)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc1 2297740381 UUXFFVGFXUDSBZ-DEOSSOPVSA-N 442.515 4.583 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2313014662 YJZPGACXPLVNEE-PEOGOYOCSA-N 448.568 4.900 30 10 IJEE Fc1ccc(COc2cccc(C=Nn3c(S)nnc3COc3ccccc3)c2)cc1 2321968708 ISFMXZGUMRYZIJ-UHFFFAOYSA-N 434.496 4.746 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)OCO2 2322687885 QHTYQJDCDJXZKS-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCC(=O)OCC(C)C 2322698847 SRZQYLZTFABCBR-UHFFFAOYSA-N 446.883 4.551 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)c1 2323068450 XJJIOUDUHDRDIB-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 2324014800 BSUJPNFQYNDHKC-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)o1 2324035361 NAUHPTOJZFWPDD-UHFFFAOYSA-N 434.444 4.703 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1cccs1)O2 2324969544 BMIRFIFYQWWARH-UHFFFAOYSA-N 436.445 4.598 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(C)C)c(OC)c1 2325592508 ICUZKRMHVIMTKW-UHFFFAOYSA-N 428.533 4.950 30 10 IJEE O=C(N[C@@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2)C1)c1cc(Cl)cc(Cl)c1 2328343762 RWTQPWAAFQKLCL-MOPGFXCFSA-N 437.754 4.780 30 10 IJEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(C(C)C)cc1 2329588029 TYMNDSFBQDFPFX-UHFFFAOYSA-N 428.945 4.869 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SC)cc1OC 2329624331 RRSCXRRCVBYSHG-UHFFFAOYSA-N 430.599 4.916 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)c1O 2330651812 ZSSGALFKUDSATJ-UHFFFAOYSA-N 434.496 4.973 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccn2C)c(C)c1 2330701203 QBLKNXQWEWMZHC-UHFFFAOYSA-N 444.564 4.513 30 10 IJEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C(=O)O)cc1 2330824366 SLVAITRWHMLQFH-UHFFFAOYSA-N 426.517 4.879 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3nccs3)nnc2C2CCCC2)cc1 2331059265 AROLHTLXFKELRG-UHFFFAOYSA-N 440.598 4.568 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCOC)nnc2SCCC)cc1OCC 2331300510 MAAPFLMWCWEADZ-UHFFFAOYSA-N 434.606 4.819 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc(Cl)c1 2331429958 ZNVSZCHKYMVXSU-UHFFFAOYSA-N 427.961 4.743 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2F)cc1 2331440448 UWINZFWZWDIVBL-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE COCCCCCSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2349806966 GCPYRQMJJIRDEY-UHFFFAOYSA-N 429.229 4.798 30 10 IJEE Cc1ccc(NCc2ccc(I)c(Br)c2)cc1C#N 2349841596 UANXTGUVXGNXJD-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE Cc1cccc2c1N(C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)CCN2C(=O)OC(C)(C)C 2352860652 ZBGPFPPCFIMEFQ-SJORKVTESA-N 442.365 4.565 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2360193961 CEBUSSRHZWHOQT-YSIASYRMSA-N 435.406 4.862 30 10 IJEE N#Cc1ccc(N[C@@]2(C(=O)O)CCCC[C@@H]2OCc2ccccc2)cc1Br 2374914756 HEQOKIYLMXBCOK-FPOVZHCZSA-N 429.314 4.715 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(Br)nn1C(C)C 2382020509 ODMLRNMQOCSSHW-HUUCEWRRSA-N 444.418 4.522 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2cccc(OC)c2OC)C3=O)cc1 2098746 DCLKCIUFPBXKSY-YDZHTSKRSA-N 446.455 4.686 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2cc(Cl)ccc2c1=O 9353226 HXEKYZNVNQOEER-UHFFFAOYSA-N 438.311 4.759 30 10 IJEE Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc(C(=O)O)cc4)nn32)cc1 9856503 SCHYXUWIRBSFOK-NRFANRHFSA-N 446.532 4.599 30 10 IJEE Cc1ccc(NC(=O)/N=C(\NCCc2ccc(Cl)cc2)Nc2nc(C)cc(C)n2)cc1 14157152 HXTWCXWNVJBNPD-UHFFFAOYSA-N 436.947 4.888 30 10 IJEE CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)S/C1=N\c1ccc(O)cc1C(=O)O 16927891 HKZMBIWXGYJLDJ-VYOHFLELSA-N 428.897 4.837 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(OC)cc2)Nc2cccc(C)c2C)c1C 32972258 ZYWAKCPFWDXBLD-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1cccc(F)c1 35766235 AVIGAIITWWWWAZ-UHFFFAOYSA-N 435.499 4.710 30 10 IJEE Cc1cc(OCC(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)ccc1Cl 38623101 BABQVFRTMKLZIN-MRXNPFEDSA-N 436.895 4.567 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 59794733 WZMHBJJCJONGIR-UHFFFAOYSA-N 447.391 4.889 30 10 IJEE C=CCOc1ccc(NC(=O)CNc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1 66096190 OTTSZEWZOYYANB-UHFFFAOYSA-N 429.520 4.574 30 10 IJEE CCCOc1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 103226075 KPMMIGRMHRKJBV-SADKCHQCSA-N 434.517 4.554 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 110339926 ZPPSSGYUOJHKNP-SIKLNZKXSA-N 448.498 4.557 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953450 FBPLPCKEFUHDTF-QHCPKHFHSA-N 428.488 4.544 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 169964549 CZWTXKSRKBWEKC-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2C[C@H](C)O[C@H](C)C2)C1=O 169993767 GMXSAEFPLMEZKV-BGYRXZFFSA-N 442.600 4.635 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c1 170049998 MHTYVHQNBFDXOK-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1 170055411 OISAZKYCUARTBT-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OC)c1 170121222 VXVPJLWYTKDZBG-MWTRTKDXSA-N 435.520 4.787 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccn1 170172106 FOUNFCOWJRTOFH-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3cccnc3)ccc2O1 170188658 BNGJPPGHKCOHGT-FPTDNZKUSA-N 446.890 4.841 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)cc1 170201872 OIWKOIFRGJYOCU-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1c[nH]c2ccccc12 170255206 ZVVOJDHMBKKZCJ-JOCHJYFZSA-N 434.492 4.564 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1cccc(O)c1 170263292 PQJZZHQZFVWYSS-LJQANCHMSA-N 434.517 4.812 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)cc1 170275129 FKOWEXURYOAZTD-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1c(C)[nH]c2ccccc12 170312374 MMHONMMYUNAWST-FATZIPQQSA-N 430.504 4.788 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N3CCCC3)cc2)c1 170342674 FPMCHOJNQOHEBP-QHCPKHFHSA-N 428.488 4.971 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccncc2)cc1 170413978 NOMNQPDAYZMZBF-XMMPIXPASA-N 441.531 4.706 30 10 IJEE Cc1ccc(C=Nn2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4)c(C)nc32)cc1 254593176 QOXFCSCNQPXJGO-UHFFFAOYSA-N 444.498 4.783 30 10 IJEE CC(C)CCC[C@@H](C)[C@H]1CC[C@H](C2=C[C@H](O)[C@H]3C[C@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO 256299630 JBBOTAYOANLXIB-WSWJQTDOSA-N 434.661 4.901 30 10 IJEE N#C[C@H](CNc1cc(Br)ccc1I)c1ccccc1 311567271 PWQSDPPPJQTKAX-GFCCVEGCSA-N 427.083 4.773 30 10 IJEE CC(C)[C@@H]1CN([C@@H]2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CCN1C(=O)OC(C)(C)C 382673328 GFFQIMPARFBTNV-UXHICEINSA-N 434.430 4.674 30 10 IJEE N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)ccc21 436386302 HBNMQOQOZDHGRE-XGAFWQRZSA-N 436.943 4.991 30 10 IJEE N#Cc1cc(NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)ccc1Oc1ccc(C(F)(F)F)cc1 438547269 QOYRRTRYBLJQCY-IRXDYDNUSA-N 431.414 4.889 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1c1cccc(F)c1 460559362 MEPCGIAPSWPVKV-AOMKIAJQSA-N 444.514 4.897 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 482053272 UIHRXVUSCXIRIK-INIZCTEOSA-N 425.495 4.851 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 482169943 PASRPNWIGWNEOH-QGZVFWFLSA-N 425.495 4.994 30 10 IJEE N#Cc1ccc(CN(C(=O)Cc2ccc(OCCOc3ccccc3)cc2)C2CC2)cc1 497909355 NCHXLRPDXOXLFK-UHFFFAOYSA-N 426.516 4.750 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1nc(C(=O)OCC)cs1 501951536 WCCUQXOHIXFAPO-UHFFFAOYSA-N 447.969 4.858 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2C(=O)O)cc1 526486850 SDCRBMXRMUNOIN-QHCPKHFHSA-N 440.455 4.712 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCCC3)nnc1N1CCC(C(=O)N(C)C)CC1 549644201 KXBURUVDNSVHKH-UHFFFAOYSA-N 441.645 4.546 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 555238511 UPFSMPLXIZGNGN-PKTZIBPZSA-N 437.632 4.567 30 10 IJEE C=C(C)CN(c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244322 CVBYIIHHJKODPC-UHFFFAOYSA-N 441.380 4.601 30 10 IJEE C=CCCCN(C)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 605645496 LZDQPOMPSNSGAB-UHFFFAOYSA-N 428.508 4.729 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 742159344 NYWOYKNTHFLGDC-IERDGZPVSA-N 442.535 4.965 30 10 IJEE COc1cccc(-c2nn(C(C)(C)C)cc2/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c1 759664775 CBDBEUDGGYDCKU-CSKARUKUSA-N 431.492 4.541 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1cccc(Cl)c1Cl 773358253 SWAXXFUMCKHMLG-UHFFFAOYSA-N 437.226 4.820 30 10 IJEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)(C)CCC#N)c1 798877672 XOVFYCRJWNEDQW-UHFFFAOYSA-N 448.972 4.647 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)c1ccc(F)cc1 812747627 AGEYRYIBZBTDNA-QFIPXVFZSA-N 444.531 4.611 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(C)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084421200 QWSSJCOUTFSPMS-UHFFFAOYSA-N 438.601 4.848 30 10 IJEE COc1ccc(-c2nc(SC)nc(SC(=S)Nc3ccccn3)c2C#N)cc1 1088666829 ASJYJSNJUJMGSK-UHFFFAOYSA-N 425.564 4.630 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2OC)cc(OC)c1OC 1128033594 OLVPKVJFNDJEJR-CYBMUJFWSA-N 434.330 4.694 30 10 IJEE N#Cc1ccc(NCC(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 1137386473 DXDGXVXMFWYGPI-QFIPXVFZSA-N 438.300 4.778 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 1142205523 HVKBSIYMWNKBTJ-UHFFFAOYSA-N 441.325 4.702 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1(C)C 1161809726 FUULLFACRVVCJG-OAQYLSRUSA-N 434.540 4.820 30 10 IJEE Cc1cc(Oc2ccc(CN(C)S(=O)(=O)c3ccc(C#N)o3)c(Cl)c2)ccc1F 1194233173 DDMKYZWFNLOYGH-UHFFFAOYSA-N 434.876 4.865 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc1 1200402784 NHNVWRFZIHGPGG-DEOSSOPVSA-N 434.467 4.766 30 10 IJEE N#Cc1ccc(C2=CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)cc1 1211401350 AZHKMZTYRSRGMV-UHFFFAOYSA-N 426.847 4.708 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 1216744109 WUABDWVDEOVQRI-HXUWFJFHSA-N 441.572 4.590 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1219256914 PIOPQSZRQLCGQK-UHFFFAOYSA-N 428.348 4.911 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1230509876 BXQWDCPUPYLXIU-PZJWPPBQSA-N 442.918 4.804 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1264894598 PALWQJZDIYYEHT-UHFFFAOYSA-N 430.545 4.784 30 10 IJEE C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1264914236 DALIJUFPKQUMFD-LJQANCHMSA-N 442.563 4.520 30 10 IJEE C=CCc1cc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc(OC)c1OC 1264960892 HAENIUIHPRNANW-JOCHJYFZSA-N 442.987 4.870 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCOc3ccc(OCC)cc32)s1 1269720950 ARJPSJIVOLJFOQ-INIZCTEOSA-N 439.002 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCC[C@@H]1C 1286279001 SELYCRVCADHXFL-LYXWCMDISA-N 445.007 4.697 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C(=O)OC)CC1 1286337898 YFRHHWFTISHRCA-UHFFFAOYSA-N 442.972 4.616 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCCC(F)(F)C1 1286415118 DIDOMIQJOQRILZ-OAQYLSRUSA-N 440.538 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1csc(C)n1 1286421506 YJTPKJVRUZXLFQ-FQEVSTJZSA-N 447.608 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCC(F)(F)C1 1286421678 GHTDISZZRKVTQZ-IBGZPJMESA-N 433.506 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc(C)c(C)s1 1286524478 MKOJKFDGQNOSMQ-HSZRJFAPSA-N 440.016 4.830 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCN1CCCC[C@H]1CC 1286527681 HHUUCKKJIFPZGY-SHQCIBLASA-N 433.644 4.710 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC(C)C 1286535207 GLTGTEPTEVWHBR-OAHLLOKOSA-N 425.346 4.948 30 10 IJEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1286621935 KTQFJDAJZZKNSF-HKUYNNGSSA-N 443.979 4.620 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)SC)C1CC1 1286732570 ADQUJHHEPJXNAM-ZDUSSCGKSA-N 437.407 4.623 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)[C@H](C)CC 1286746732 DXKFVQAZLMUQFP-UTSGNWPNSA-N 430.568 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)CN1CCCCC1 1286749035 ILPTXXBSIQKTRA-IFMALSPDSA-N 443.661 4.896 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1N(C)CCCC1(C)C 1286761423 YKBBTLVUTRTCDZ-XMMPIXPASA-N 446.643 4.639 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2ccco2)C1 1287736509 AGLBESVPCKDJKV-RBBKRZOGSA-N 446.599 4.975 30 10 IJEE Cc1cc(C(=O)N(C)Cc2ccccc2OCc2ccccc2)nn1-c1cccc(C#N)c1 1287741541 FZYZRJOZKGBTRG-UHFFFAOYSA-N 436.515 4.904 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H]2CCCCO2)C1 1288974483 FWDKJIQYRIUJIW-JTSKRJEESA-N 431.943 4.827 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCOC2)c1C 1289103615 GYSHMXMHIQZZIK-IFMALSPDSA-N 437.588 4.592 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC2(C)C)c1 1289461716 HQKVOQKBYKEYAK-UUOWRZLLSA-N 425.552 4.777 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1295361115 XUDSDTORHXFDHD-HHHXNRCGSA-N 428.963 4.798 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)OCC 1296822363 CWNURYDNKFXPTR-SJORKVTESA-N 439.396 4.995 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@H](CO)Cc1cccc(Br)c1C 1297970746 WJGYJZMHURTGDS-MRXNPFEDSA-N 434.399 4.617 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 1298732308 CZGZSMBOLNYQTB-HXUWFJFHSA-N 434.458 4.738 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)cc1OCC1CC1 1300287190 VRHMKAVHJHRLHO-KRWDZBQOSA-N 435.959 4.597 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1300510737 ADIAIKIVYTUFFD-RBZQAINGSA-N 432.612 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCOC[C@@H]1OC 1300905029 JOTIUWVLVYNIST-PMACEKPBSA-N 444.645 4.729 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1300983046 UVOXPLUIVLUUNE-WIYYLYMNSA-N 435.399 4.866 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1300983049 UWOSECAOYUIYQQ-HSZRJFAPSA-N 437.632 4.630 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2oc(CC)nc2C)CC1 1301135005 QPJCYWNPVLHORO-UHFFFAOYSA-N 435.572 4.729 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1301209032 JNDQWLUIUCASIM-UHFFFAOYSA-N 436.991 4.590 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1301272853 LKFKVBIGFPNJQC-UYAOXDASSA-N 427.593 4.603 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCO[C@@H](C(C)C)C2)cc1OCC 1308410229 OAMISDDLCXAEJR-VQIMIIECSA-N 426.395 4.953 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](c2ccccc2F)[C@H](C)O)cc1OCC 1308454537 HIRKCSVZLCDLHF-XOBRGWDASA-N 438.337 4.763 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c1 1310188436 NDSJFNWEAKHDPD-XMMPIXPASA-N 430.504 4.900 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)c1 1312520123 DMHRSJWYIADFJC-LJQANCHMSA-N 430.321 4.670 30 10 IJEE COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1315832009 FGVFZHRBAUFMNG-GOSISDBHSA-N 429.515 4.505 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCOC2)C1 1321324690 HHUOKELSVAEENO-CVEARBPZSA-N 444.988 4.631 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(Nc3ccc(SC(F)F)cc3)sc2=S)C1 1323715538 NQCJQONBPPVEJP-ZDUSSCGKSA-N 430.571 4.967 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C(C)C 1358871899 LUFWMJDFLJQHDN-NSHGMRRFSA-N 432.996 4.817 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC)CCCC1 1358888971 UYLBGJGJJNNQRJ-LJQANCHMSA-N 443.636 4.821 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2sccc2C1 1359050119 GZDMWDCUKBAMGN-UHFFFAOYSA-N 446.548 4.537 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H](C)c1ccco1 1359060652 CTLBEZMIBSRUHT-MRXNPFEDSA-N 430.961 4.667 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOCC 1359063774 CYBGDNZZNIVCOO-FDDCHVKYSA-N 430.980 4.717 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359086226 OPDQHXSVBKOKLA-INIZCTEOSA-N 429.353 4.791 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CC1CCCCC1 1359103516 PERLLFQTGFDYCV-RCZVLFRGSA-N 438.616 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cccnc1-n1cccn1 1359107662 SAPSNBZXSAFWNK-QHCPKHFHSA-N 441.583 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cn(C)nc1-c1ccccc1 1359115426 YOACOFWCOBBWBF-UHFFFAOYSA-N 432.597 4.782 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1359136596 PAYUBHUPHOWVOZ-OALUTQOASA-N 432.659 4.802 30 10 IJEE C=C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCSCC(F)(F)F)CC1 1359163758 RCQHWSCHCDCZGS-UHFFFAOYSA-N 435.519 4.889 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(OC(C)C)nc2)CC1 1359181169 IMHAPSJHKUXXQJ-UHFFFAOYSA-N 447.583 4.798 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCCN2CCCCC2)CC1 1359182068 QYLUYCBZSSDMSK-UHFFFAOYSA-N 437.632 4.698 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@H](COC)C1 1359201281 IRPZHYXRRQMBGV-NRFANRHFSA-N 434.588 4.740 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CCc1ccsc1 1359261275 CGSADCJEHGTKED-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC(C)(C)CN1CCCC1 1359261310 DIGAPCYLCAPPCG-JOCHJYFZSA-N 441.595 4.583 30 10 IJEE C=CCn1c(Cn2nc(C)cc2C)nnc1N(Cc1cccs1)Cc1ccccc1OC 1359289317 VCWTWDLRIFEEKJ-UHFFFAOYSA-N 448.596 4.603 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](SCC)C1 1359344924 NHOLVPBCLNBUEE-GOSISDBHSA-N 437.704 4.665 30 10 IJEE C#CCN(CC1CC1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1435585675 WCZLEQANGSEBEC-UHFFFAOYSA-N 436.968 4.552 30 10 IJEE Cc1c(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cnn1-c1ccc(F)cc1F 1435641502 DCHHQGANJLVWAQ-KRWDZBQOSA-N 431.311 4.771 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 1435671443 SVZALZUQCTWHHB-MRXNPFEDSA-N 445.357 4.941 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1435949776 ADSMZMRNGBQHAK-LAUBAEHRSA-N 426.479 4.795 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1C#N 1446529172 BNCMOBKFWDXTNF-INIZCTEOSA-N 446.548 4.642 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1OC 1447362364 ONFTVTMBMBJGLE-GTOQVXEWSA-N 429.516 4.790 30 10 IJEE C#C[C@@H](NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)c1ccc(Br)cc1 1460785927 ODGHCFHYWZNMAS-LJQANCHMSA-N 437.341 4.566 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)cc2)cc1 1461654103 XBRVIJGWUARIGD-UHFFFAOYSA-N 440.499 4.989 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c1 1465535577 OEZXZYDZQAOPOE-GOSISDBHSA-N 438.478 4.920 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 1467547502 AGPAUCGEZSHKTD-MOPGFXCFSA-N 449.389 4.728 30 10 IJEE C#CCN(C(=O)NCc1cccc(COC2CCOCC2)c1)[C@@H]1CCCc2ccccc21 1468606702 CZGDIMDXTZOYLS-AREMUKBSSA-N 432.564 4.605 30 10 IJEE COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c2ccccc21 1471620208 ATPRXTNBPPRKQH-PKTZIBPZSA-N 426.472 4.790 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H]1CCCN(c2ccccc2F)C1=O 1473140197 FPDANBKZPTWCMJ-HXUWFJFHSA-N 435.312 4.911 30 10 IJEE C=CCOc1c(Br)cc(CNc2nc3c(OC)cccc3n2C)cc1OC 1474252745 WAPWNZJCQIDHRB-UHFFFAOYSA-N 432.318 4.530 30 10 IJEE COC1(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H](C)CC#N)CCC1 1504039176 HIFFBBJKNCIGCZ-IAGOWNOFSA-N 431.968 4.769 30 10 IJEE C#CCCCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1507590622 FASVHTMOXMAXER-SFHVURJKSA-N 437.613 4.816 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1507681910 GCOHSAPRVRBBRE-UNMCSNQZSA-N 435.959 4.621 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCC1CC(OC(C)(C)C)C1 1507697521 ABXBDQJNGLDHHI-UHFFFAOYSA-N 445.007 4.954 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)C2CCCC2)CC1 1507881647 SOIWYKKQJAUGAO-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCc2cccc(Br)c2C1 1507950360 DIBQVMUBTLBWPU-UHFFFAOYSA-N 438.373 4.555 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1507991543 YUWLTQKCOXHKQU-UHFFFAOYSA-N 434.853 4.610 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nccs1 1508007398 AZDWYYVAFPSCKT-PKOBYXMFSA-N 441.576 4.764 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C 1508015021 ZTLDLSRSMCLPCI-LEWJYISDSA-N 431.669 4.569 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCC(F)(F)CC1 1508041401 ABBBBGHMGGMUTL-RTBURBONSA-N 440.579 4.661 30 10 IJEE C#Cc1cncc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)c1 1515767013 NAGXYIYLFSHRIC-DEOSSOPVSA-N 429.589 4.777 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1(C)C 1516374774 CBERWFAIUZFZGB-CEWLAPEOSA-N 439.629 4.600 30 10 IJEE C=CCCOCC(=O)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCC2 1519681001 DGZIBARTLMCUBD-UHFFFAOYSA-N 434.355 4.762 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)c2cccc(Br)n2)s1 1523969441 FTWSMXAQIHBVJL-UHFFFAOYSA-N 432.796 4.659 30 10 IJEE C#CCOc1ccc(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)cc1 1524498733 AJYFVHWFJBYIMX-UHFFFAOYSA-N 441.395 4.599 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)CCCN1C(=O)OC(C)(C)C 1525425757 UIQBJTVPKONRLC-AREMUKBSSA-N 444.535 4.733 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)cc1 1525685896 VJLKPIHXWVPFOQ-NNWRFLSQSA-N 428.573 4.826 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1527807391 QUWYQIOXBKFDGG-NRFANRHFSA-N 442.332 4.643 30 10 IJEE CC(C)Cc1ccc(CCCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 1527920786 DTRBYEISDFJOGI-UHFFFAOYSA-N 440.591 4.976 30 10 IJEE C#CC[C@]1(C(=O)N(CC)Cc2cccc(-c3ccncc3)c2)CCCN1C(=O)OC(C)(C)C 1531504261 QNIYDKNWZAPKMO-HHHXNRCGSA-N 447.579 4.890 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](C)C2)ccc1Cl 1537748911 HSIWTYXHNSLREH-WMZOPIPTSA-N 432.973 4.640 30 10 IJEE C=CCN(C(=O)c1cccc(-c2ccccn2)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1538618212 GCPXAWBJNAYNGG-RUZDIDTESA-N 428.532 4.860 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1538715330 GUXNGVSUSQXNLR-SZNDQCEHSA-N 425.356 4.964 30 10 IJEE N#Cc1ccccc1N(C(=O)c1nn(-c2ccccc2F)cc1Br)C1CCC1 1538979825 GFWGXANLMRBHEV-UHFFFAOYSA-N 439.288 4.845 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1F 1539399691 PTDVBLKADLTDNN-UHFFFAOYSA-N 438.572 4.549 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCC2(CCOCC2)C1 1539497454 MOKXQNRUKAZQBE-QFIPXVFZSA-N 438.641 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1539619907 IKFLJJVTDDPFTB-JLMWRMLUSA-N 439.629 4.995 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1540014482 OANNRAKIEMJXPF-UHFFFAOYSA-N 429.584 4.521 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H](OC)C(C)(C)C 1540120566 SUABFCOJZDZYBZ-JOCHJYFZSA-N 435.572 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1(OC)CCCCC1 1540142338 JWJMBHVGDPOZCZ-UHFFFAOYSA-N 425.602 4.887 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1)C(C)C 1540146949 HBZPLQNDQNMAEQ-DEOSSOPVSA-N 444.627 4.896 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(Br)c1 1540171198 WPFLTNRJUNHWMN-UHFFFAOYSA-N 433.394 4.865 30 10 IJEE C=CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(C)c(Br)c1 1540861171 FQBXWDBDPPEWAA-HNNXBMFYSA-N 435.276 4.722 30 10 IJEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 1542768526 GKUHSESCYOIUJR-XMMPIXPASA-N 432.955 4.861 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)C)C2)c1 1542859976 HTRBUNLOHKTPLS-OAQYLSRUSA-N 448.640 4.944 30 10 IJEE O=C1/C(=C/c2cccnc2)S/C(=N\N=C/c2cc(Cl)ccc2O)N1Cc1ccco1 1554646300 AAALHUHLYKDBTJ-USLNWTEASA-N 438.896 4.540 30 10 IJEE C#CCN(C(=O)/C=C\c1ccc2cc(OC)ccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1558369910 GMXVIZBUTHEGDF-WQLSENKSSA-N 448.563 4.723 30 10 IJEE CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(CCC#N)CC(C)(C)C 1559553544 FYIRRJDSZDOTEO-UHFFFAOYSA-N 427.570 4.792 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cc1OCC 1560560005 ASJPGBRSSURAIU-IYBDPMFKSA-N 440.378 4.623 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2Br)c1 1561221057 RWOVPIVHYQCPSB-UHFFFAOYSA-N 444.325 4.965 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 1565795919 HBTRKOMKGQAAHT-GOSISDBHSA-N 447.919 4.857 30 10 IJEE C#CCOc1ccc(CNC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1 1583105002 DCBOWRGAFDPYSF-UHFFFAOYSA-N 438.936 4.904 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1 1584443173 KDLQNQFKZUAWLL-RZDIXWSQSA-N 447.352 4.564 30 10 IJEE C[C@@H](CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)C1CCCCC1 1585534080 ICKFVXKMBQVZFI-UWJYYQICSA-N 432.406 4.764 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(C)OCCc2sccc21 1587574231 DQMYUMQGGVZOTD-QRQCRPRQSA-N 426.973 4.606 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1587865647 UGCVFQAAAMQKAQ-RPWUZVMVSA-N 433.644 4.682 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)cc1OC 1587965321 YTEWBNPFZDUSAL-ZRDIBKRKSA-N 440.565 4.674 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1588604576 LVFHUFLPAQIOQF-QGZVFWFLSA-N 436.934 4.900 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC)(CC)C1 1589442718 CNHBQKLWUXATNB-UHFFFAOYSA-N 444.377 4.654 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2cnn(C)c2)CC1 1594473528 VFSGLXLCCGRPEX-UHFFFAOYSA-N 439.995 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1594484150 OAWFGESXMOEJHN-JOCHJYFZSA-N 431.584 4.699 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1594581821 CKVXYNCRUXUBSY-UHFFFAOYSA-N 438.557 4.940 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1594581854 DILXWVCSWKSQMO-QHCPKHFHSA-N 432.616 4.775 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](F)(C#N)C1 1594590802 APUIFCPMTSCWAL-IBGZPJMESA-N 436.304 4.645 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1594687238 JKQIKBUVOWGSJS-UXHICEINSA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(OC(C)(C)C)nc1 1594886235 ZREHMXWBMDLYPL-UHFFFAOYSA-N 443.555 4.578 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1csc(C)c1 1594895069 DMSJNQRGGDBQQP-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCc1scnc1C 1595093499 DQFWRTWWDVJKTE-OAQYLSRUSA-N 448.596 4.592 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1595133604 IUWGUBBHUAPMGV-BWKNWUBXSA-N 442.579 4.537 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCO[C@H]1CCCC[C@@H]1C 1595133944 PDGGGJOIEYBACP-WPYKKVEZSA-N 442.579 4.709 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1CCN(C)C1CCCC1 1611742531 GAISFWQFTGXDSB-ROUUACIJSA-N 445.011 4.684 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@@H](C)CC(C)C)nc2sc3c(c2c1=O)CCCCC3 1613118060 HDJLHNOLQDYGPG-INIZCTEOSA-N 447.670 4.898 30 10 IJEE C=CCn1c(SCC(=O)NC(C)C)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1613171737 RYABTVYIBVMAMG-MRXNPFEDSA-N 432.659 4.960 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@@H](C)[C@H](c3ccccc3)C[C@H]2C)n(Cc2ccco2)c1C 1618195415 BPSJOFHVLUFCFH-DHJUGAMNSA-N 430.552 4.823 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 1622907431 JRDPUJUNZMLXPE-QFIPXVFZSA-N 433.895 4.854 30 10 IJEE CC(C)[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CCN1C(=O)OC(C)(C)C 1625285486 DRIAHHLJBMPJLQ-MRXNPFEDSA-N 426.344 4.583 30 10 IJEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](C)C[C@H]1C 1627767285 CZHZLUONUPCUIZ-FLFXDLLNSA-N 434.536 4.576 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1629896193 XRGSDLFUPJVGSQ-FQEVSTJZSA-N 432.923 4.619 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)c1ccccc1 1636820408 GMMNKENFEFHALF-IBGZPJMESA-N 442.562 4.692 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 1637028955 ABFYBDMYZDYCKZ-UHFFFAOYSA-N 432.545 4.955 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(C#N)CC1(C)C 1641778821 LHFYCRNXJHHFAT-KCWPFWIISA-N 443.547 4.668 30 10 IJEE N#Cc1ccc(CN2CCOc3cc(F)c(Br)cc32)c(Br)c1 1643228668 BLKVDCSUGOLTHF-UHFFFAOYSA-N 426.083 4.621 30 10 IJEE C[C@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)N1CCC(Cc2ccccc2)CC1 1648673584 CITZSDYWODVVHD-GOSISDBHSA-N 430.577 4.963 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1651408084 UGMILDNONWQPIK-QGZVFWFLSA-N 437.740 4.622 30 10 IJEE CC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)C1 1651576710 CNMKDAVFZRTIQV-HOYKHHGWSA-N 445.563 4.702 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3ccc(Cl)cc3)n3cccn3)c2c1 1651594516 ADHMXXDFXTVEAN-HXUWFJFHSA-N 433.899 4.675 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1OC 1651838662 QEMHVAMDVUTLHT-KRWDZBQOSA-N 438.996 4.992 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)cc1 1658516067 FWGUGSRDOJMMBC-VWNXMTODSA-N 427.504 4.989 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1 1660696112 CDJSLSLBVJMCQB-UHFFFAOYSA-N 425.529 4.810 30 10 IJEE CC(=O)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1F 1661965192 WQTYIIXRQXRTMP-UHFFFAOYSA-N 440.471 4.743 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1)c1ccc(Cl)cc1F 1663151915 CNKGFNAWVWMARF-QTCYRWPVSA-N 433.886 4.728 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1665214767 GZOLPLJLNXYGRC-HXUWFJFHSA-N 426.442 4.938 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2Oc2ccc(OCCC)cc2)cc1 1668818843 TVWMUZYDTGBVOY-LOSJGSFVSA-N 436.552 4.677 30 10 IJEE C=C(C)[C@@H](NC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)c1ccc(F)c(F)c1 1677367791 QGMLHYZUIZDDRD-HSZRJFAPSA-N 444.522 4.947 30 10 IJEE C=CCc1cc(CNC(=O)N(CC)Cc2nc3c(s2)C[C@H](C)CC3)cc(OC)c1OC 1677640796 BMBLSRMXKQQVQC-MRXNPFEDSA-N 443.613 4.745 30 10 IJEE Cc1cc(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C#N)cc1N(C)C 1678199307 HCKPTWRZRHQCPI-CHWSQXEVSA-N 436.400 4.964 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)CC1 1678373705 BHBRGWRLUCRCTB-NRFANRHFSA-N 434.422 4.596 30 10 IJEE C[C@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 1679702284 CGCANKGXSVEDTD-GAJHUEQPSA-N 448.567 4.889 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21)C1CCN(C(=O)OC(C)(C)C)CC1 1681676638 JYUNAVWZZWTJJQ-HSZRJFAPSA-N 439.600 4.842 30 10 IJEE Cc1cc(C2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)ccc1Br 1682015535 HBVZBVSUKJRSCD-UHFFFAOYSA-N 430.321 4.858 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)Cc1ccccc1OC 1682185974 YGZHCHQVSCKVPM-HNNXBMFYSA-N 435.337 4.926 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](c3ccc(F)c(Cl)c3)C3CC3)CC2)c(Cl)c1 1682638029 HUWDJEABIYKFMM-OAQYLSRUSA-N 447.341 4.987 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1686918740 TURDRFDQQDJMNA-OAQYLSRUSA-N 441.959 4.881 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1689829117 VDNCRGFAQYFZPK-CVEARBPZSA-N 441.576 4.817 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1689904555 ZIUWOHPWNSEXHQ-UHFFFAOYSA-N 432.490 4.976 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1690294499 ITUZFQAZTYUNSR-QGZVFWFLSA-N 431.378 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCC(C)CC2)nc1 1690522019 SJSMKQWFPKUQRU-UHFFFAOYSA-N 436.991 4.900 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)C[C@@H](C)C2)cn1 1695616072 FGOSFVGDSIMABL-BGYRXZFFSA-N 443.599 4.589 30 10 IJEE C#CCCCCn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1cccn1C 1705521742 KIIXIRXSKVDEAT-UTKZUKDTSA-N 425.964 4.929 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1705527612 DRIQEISZMLQFSN-QFIPXVFZSA-N 449.002 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccco1)N(CC)CC 1705609152 RUYYLSKSQVRCKG-HXUWFJFHSA-N 425.964 4.734 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CCCC1 1705613032 AUKWAFDMCQVCQH-FQEVSTJZSA-N 443.636 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C(C)C)N1CCCC1 1705671165 YJROALNMOKGJDX-ZJSXRUAMSA-N 443.998 4.850 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1705680771 HEMCYVUIFXKETL-MRXNPFEDSA-N 435.366 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1Nc1cnn(C)c1 1705709355 NVHFUCLGJQCVPW-YWZLYKJASA-N 444.992 4.682 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)c2cccs2)CC1 1705765378 JFKIBZJQWFHCFD-OAQYLSRUSA-N 432.952 4.863 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705766107 NBVMJNJXCBAPKE-FGZHOGPDSA-N 432.616 4.731 30 10 IJEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1705773132 HDHFTBWSVMVRKY-VJANTYMQSA-N 442.526 4.527 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(F)ccc2OC)CC1 1705777995 XFDIFUTYBNZLMW-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1705796740 JIKNMDQAWOUBBI-PXNSSMCTSA-N 433.522 4.588 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1705810382 WTAHEOAPJDOROR-VAMGGRTRSA-N 447.624 4.616 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705814044 BFEJGPUZKTWHSV-UHFFFAOYSA-N 437.544 4.572 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1705822684 NMSBOMYHNCIXNC-QFIPXVFZSA-N 437.632 4.795 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCn1cc(Cl)cn1 1705865697 RMYPLMKHYGPKKZ-UHFFFAOYSA-N 428.949 4.651 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1)C(C)C 1705867441 NOVWBYXJXVMXAJ-ZJSXRUAMSA-N 432.616 4.752 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N1CCC[C@H](C)C1 1705872110 LJTTWPLXKJWWIQ-SFTDATJTSA-N 432.616 4.736 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCOc2ccccc21 1706462653 FZJBWDBBONDOHC-OAQYLSRUSA-N 444.583 4.596 30 10 IJEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(C)CCCS2)ccc1OC(C)C 1711640851 HMJIWADZDRMXIL-GAJHUEQPSA-N 443.617 4.765 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C)CCCC1 1722277975 ONBMZTCIGLNFLV-OAHLLOKOSA-N 431.378 4.754 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2ccnn2C)CC1 1722314725 PJNBJRGLHYFCOY-UHFFFAOYSA-N 440.954 4.659 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(OC(C)C)CC1 1722327204 CJHDRKPAJNDGBR-UHFFFAOYSA-N 445.405 4.823 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722617373 JYCSXHIBTXYKCB-KRWDZBQOSA-N 429.977 4.523 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)Cc1cccs1 1722657373 ZSKHSMHYYQRLKQ-DENIHFKCSA-N 447.608 4.787 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(CN2CCCCC2)cc1 1722668903 FNFAGQHWPCUESU-UHFFFAOYSA-N 442.611 4.861 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCSC1 1722679185 PYPQEWRYFATFPO-MSOLQXFVSA-N 446.686 4.913 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722683950 GTXQCNJWOWZJPI-UHFFFAOYSA-N 449.958 4.759 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@H]2C)C1 1722713384 BBCFJXSVKAVFPN-FGTMMUONSA-N 445.405 4.925 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCN1C1CC1 1723386846 DSGQOTCDNMVJRV-XMMPIXPASA-N 445.615 4.600 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1726661779 DGGNIDBBTIFXAB-YJBOKZPZSA-N 435.494 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1740555897 CLIFVZNFXMPILJ-WFXMLNOXSA-N 430.980 4.564 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1740566815 CDAOVBCOSBUXGF-QGZVFWFLSA-N 443.389 4.516 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)C)CC1 1740566863 CDMWJNNYFGEFCC-HXUWFJFHSA-N 444.023 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CC=CCC1 1740729113 AEOAQHXTJWHSLP-HHHXNRCGSA-N 447.627 4.624 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCC(C)CC1 1740741954 XGRBDHNMJRRKIC-UHFFFAOYSA-N 440.183 4.853 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCc1ccc(Cl)cc1 1740756934 LVADBISWARTETA-UNMCSNQZSA-N 437.975 4.654 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1740785145 LZFRJZRUWVATAG-LJQANCHMSA-N 434.506 4.872 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2Br)n1CC1(O)CCC1 1740856117 QGYSMPZCDUYJMV-UHFFFAOYSA-N 433.394 4.805 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1740871439 DBYZIJUIJRMXEJ-JOCHJYFZSA-N 428.577 4.568 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(c2ccnn2C)CC1 1740879788 OFOJMAQKAQZFAK-UHFFFAOYSA-N 434.588 4.558 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCCN(C2CCCC2)CC1 1740879997 SFBJXPNHEVKGPI-UHFFFAOYSA-N 437.632 4.840 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCCC[C@@H]1C)C1CC1 1740906602 JEBJBWUBJBVWGZ-SFHVURJKSA-N 429.012 4.803 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(N(C)C)CCCCC1)C1CC1 1740913182 HVURZWUPKHWJAV-UHFFFAOYSA-N 437.632 4.893 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740922792 SNFRFMQLDYCZGH-MRXNPFEDSA-N 427.540 4.540 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740943536 VEYUWPAREMGRAN-HLAWJBBLSA-N 439.604 4.746 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740945044 AEVKGMVRQBIGTD-IBGZPJMESA-N 448.571 4.515 30 10 IJEE C[C@H]1C[C@@H](CCn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CCO1 1742947314 CDFWMNDLMWSZTC-PMACEKPBSA-N 433.600 4.946 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CC=CCC1 1748647055 HSXMTTCWTUWKJX-MRXNPFEDSA-N 425.989 4.533 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCn1nc(C)cc1C 1748777153 AJZDUCLLGKICIE-UHFFFAOYSA-N 448.571 4.786 30 10 IJEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@]2(CC=CCC2)C1 1749039763 AKWUFTICAWFWBC-RUZDIDTESA-N 436.625 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccccc1C 1749135904 JKJONZFRBXSZAF-SLSDLSHTSA-N 448.615 4.627 30 10 IJEE C=CC[C@H](Cn1c(N2CCN(c3ccccn3)CC2)nnc1C(C)(C)C)c1ccccc1 1749386242 YHXDQZZECYGRGA-JOCHJYFZSA-N 430.600 4.657 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2ccco2)C1 1749448760 BMYVJAPFEDCYHD-FQEVSTJZSA-N 446.910 4.501 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)N(C)C)C1CC1 1749527565 JALJHBANFGJTJF-XPWALMASSA-N 437.632 4.654 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN1CCCC[C@H]1CC 1749538541 XAASYYTZKMPTNY-BJKOFHAPSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@](C)(O)c1ccccc1 1749550627 FHXSJISRZDNJAH-VWLOTQADSA-N 447.608 4.836 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](SC)C(C)(C)C 1749551346 XAXQADPHGBENLG-SFHVURJKSA-N 428.631 4.767 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)CC 1749554137 PFUUAQMBYPCDIE-QFIPXVFZSA-N 431.005 4.937 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CC=CCC1 1749689646 MDUYRYATVBMGJV-NRFANRHFSA-N 429.568 4.670 30 10 IJEE C=CCSCCn1c(N(C)C[C@@H]2CCCOC2)nnc1C1(c2ccccc2)CCC1 1749763916 NEZCDNKNNXGJFZ-FQEVSTJZSA-N 426.630 4.530 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)OCCc2sccc21 1760116533 QOLYTNGIJKHLGD-WAIKUNEKSA-N 441.000 4.530 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCC1CCOCC1 1760162821 HOBPOTIXSBMPEP-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C(C)C)C1 1760275653 DGBRQIBMFRCBRB-ZWKOTPCHSA-N 428.671 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCc1ccsc1 1760291417 NXGHXZSYGNXVDZ-JOCHJYFZSA-N 426.973 4.903 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CCOCC1 1760332183 VOBNMPCOUYXLAE-UHFFFAOYSA-N 436.556 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1oc2ccccc2c1C 1760340943 TXJSUUNZAGFULM-UHFFFAOYSA-N 449.580 4.775 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1760360444 BXAXJXFYVXLHLE-UHFFFAOYSA-N 444.564 4.645 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2occc2C)CC1 1760384492 ZEMUPQIXIJQPPY-UHFFFAOYSA-N 431.309 4.953 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1760445277 FJUNIGXCIOFGAF-RBBKRZOGSA-N 437.588 4.509 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CCC 1760456866 YYEJZLGVVQKLRH-VXKWHMMOSA-N 425.621 4.922 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCCCCC1)C1CC1 1760471526 YAZZNDYOYXZSIN-GOSISDBHSA-N 428.552 4.797 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC(F)(F)C1 1760504231 LTZQCJRHQGOYQG-OAHLLOKOSA-N 440.922 4.681 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760509232 QKIQRZBUDGNDNR-OAQYLSRUSA-N 434.588 4.674 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CCOCC1 1764399078 GPSICBJYYUQFLZ-SFHVURJKSA-N 441.551 4.504 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 1766886977 CAMYOSLUHHIWLG-RCZVLFRGSA-N 438.595 4.725 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H](C)CC#N)cs1 1769550087 DJNFUXKNYHFDCU-CHWSQXEVSA-N 448.955 4.688 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862412871 PBRQBDBMPQNHRR-QHCPKHFHSA-N 449.453 4.931 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429058 FICNNGQYJLKLSR-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1862431336 FHAVGZLDWDPFSV-IBGZPJMESA-N 434.319 4.997 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(F)c1 1862501588 GHTSYBORWOBYLU-JOCHJYFZSA-N 442.506 4.583 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862536611 CFKNUZHGINMGMZ-VWNXMTODSA-N 449.547 4.795 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1OC 1862553567 MSODIGZHVZMCRW-DEOSSOPVSA-N 449.547 4.959 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862555956 LVSGKRPQXIQSNK-DEOSSOPVSA-N 444.506 4.791 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC)cc1 1862645835 RMTIGAFPVAVDOX-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862694778 ROOXMHHQEZTYKJ-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862754498 MLIRGNHUOODJKS-NRFANRHFSA-N 438.480 4.618 30 10 IJEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3cccc4c(O)cccc34)C2=O)c1 1863111047 UIYDNEDZAPMCKG-UHFFFAOYSA-N 437.480 4.875 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1863445666 FVZBRFVSOYNYGA-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccccc1C#N 1866693930 CQJCBKOQZVMDGT-UKILVPOCSA-N 440.547 4.593 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(-c3cccnc3)n2)c1 1868553721 UDGRKUIFTYTASU-QHCPKHFHSA-N 434.503 4.732 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1 1868724480 JREYAGIIPXFEBB-DNQXCXABSA-N 440.534 4.972 30 10 IJEE CCCCCCCCCCNC(=O)c1cn(CCc2ccc(OC)cc2)c(=O)cc1O 1870121352 SJHIDEGUZLCHGW-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN(CC)CCCC 1870568838 WIFAEPIQVCCGBQ-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN(CC)CCCC 1870683215 YFVBXGWETAWXBB-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1870944325 FCVIYUHIKAKAPE-UHFFFAOYSA-N 445.563 4.525 30 10 IJEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 1871281853 HBRZCKHKLRVVDP-UHFFFAOYSA-N 442.928 4.658 30 10 IJEE O=c1c(Br)c(N/N=C/c2ccc(Cl)cc2)cnn1-c1ccccc1Cl 1873528592 CHVHTZWNIQTJSK-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE C=CCn1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc2c(N(C)C)ncnc21 1873561064 DBTIHQQEUBIPTF-UHFFFAOYSA-N 425.536 4.526 30 10 IJEE C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1873870458 TXXDPNZXOKGEDM-SRUBGTOFSA-N 444.531 4.868 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1c(F)cccc1Cl 1874277515 VLLBTHWCFCDBFG-HKNSOBRKSA-N 437.972 4.569 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccccc1F 1874400875 BNKIULXSFDMCJH-VEMXNMSTSA-N 440.544 4.743 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874427714 XEZUMMYSXKFPOY-WGOQTCKBSA-N 435.597 4.743 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)c1 1874452662 HCENELPDSRCBQJ-LPYMAVHISA-N 425.583 4.919 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccccc1Cl 1874503750 YAGNBPLJGGONBW-YDZHTSKRSA-N 427.961 4.805 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CC2)cc1 1874516277 PLHJPTKAWSHCLL-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)ccc1O 1874523009 UHUUMXYPPKYSBA-LSFURLLWSA-N 447.879 4.736 30 10 IJEE O=C(Oc1ccc(/C=N/n2c(S)nnc2CC2CCCCC2)cc1)c1ccc(F)cc1 1874560824 QUVFOYNWNVATLS-MFKUBSTISA-N 438.528 4.930 30 10 IJEE Cc1cc(OCCCc2nnc(S)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 1874571180 ZSPDZAUPQAMAHA-WSDLNYQXSA-N 445.932 4.639 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1 1874577945 NGESAPPVFHNPBI-YRNVUSSQSA-N 439.895 4.923 30 10 IJEE CC(C)COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)OCCO2 1874581940 NWEBDORVZWCIBU-ZZXKWVIFSA-N 430.884 4.585 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)NCc1ccco1 1874603089 LPVXJZZNDVBXEW-XYOKQWHBSA-N 445.515 4.758 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 1874735345 HUAIFHGDLUPFLR-UHFFFAOYSA-N 428.872 4.714 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875135222 GPOCZQLVSDCILT-CZXUKVBWSA-N 436.247 4.882 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C2CC2)c(OC)c1 1875180764 XLZJFHKVSNJGPV-VMPITWQZSA-N 430.884 4.886 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2nc(C(C)C)[nH]c2Br)C1 1892691018 GMNCRLDGENJTJE-CQSZACIVSA-N 427.387 4.560 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1902331396 DEXKTVKGNJMBBM-KFWWJZLASA-N 435.487 4.761 30 10 IJEE Cc1cc(C[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1C#N 1951961119 FRYYZLCJHNGPFX-MHZLTWQESA-N 440.499 4.791 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 1965565558 HUSZNJMZEJJMCW-GUYCJALGSA-N 438.341 4.686 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 1988817555 VYCMUKWSNJMZBC-CKOFKNITSA-N 425.545 4.794 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCN(C)C(=O)OC(C)(C)C 2002704577 VBPMPHODGLOZPC-HSZRJFAPSA-N 433.549 4.976 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C2(CCC2)C1 2019916519 FGTUAIDIYYXYQK-GJZGRUSLSA-N 447.498 4.715 30 10 IJEE CCCCC#CC[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024377924 GBNSUGURHALPAX-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)c2ccccc21 2044528077 KJGMIHAXJAUNED-GOSISDBHSA-N 430.398 4.987 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Cl)ccc(Br)c1F 2058352969 TURFIGJCSVCQAD-BBRMVZONSA-N 433.749 4.809 30 10 IJEE Cc1cc(C#N)ccc1NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2067210318 ORTBCAKMHYZRIW-UHFFFAOYSA-N 434.584 4.838 30 10 IJEE CCOc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080096309 UIBPLSAIHBGNPZ-GOSISDBHSA-N 433.293 4.635 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)CC1CCOCC1 2095822953 DVQRKUDFYMALAZ-UHFFFAOYSA-N 435.417 4.723 30 10 IJEE C=CCC1(C(=O)Nc2ccc(Br)c(F)c2C)CN(C(=O)OC(C)(C)C)C1 2124499378 KACXKBGQBHZZIF-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2185919882 MJXJACPZXUMNQZ-QGZVFWFLSA-N 438.341 4.686 30 10 IJEE C=C([C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221676150 NFUTYZHWTNTMHM-DLBZAZTESA-N 428.443 4.679 30 10 IJEE C=CCC(C)(C)OC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125198 CFEYBBJNRCNJPP-MRXNPFEDSA-N 426.351 4.783 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(O)C#Cc2ccccc2Br)C1 2235716274 MLFJRJHXQTVAEK-VXKWHMMOSA-N 434.374 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@H](O)C#Cc1ccccc1Br 2235740131 MUVDIADYEQYMCT-AZUAARDMSA-N 436.390 4.883 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)cc1B1OC(C)(C)C(C)(C)O1 2247916220 SIZRCAMDEQVDEA-UHFFFAOYSA-N 425.765 4.776 30 10 IJEE CC#CC[C@H](COc1nc2ccc(Br)cc2s1)NC(=O)OC(C)(C)C 2264301315 IRXYBKBYAAZRNM-CYBMUJFWSA-N 425.348 4.744 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2267118972 PUURHUVSYHMSDN-FKBYEOEOSA-N 440.437 4.666 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2267571953 PERDHFXMARIQRM-UHFFFAOYSA-N 446.353 4.853 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2C#N)C[C@@H]1CC(F)(F)F 2285168050 APPWQITXWSGPGC-ZDUSSCGKSA-N 448.283 4.699 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCCN)CCc2cc(Br)ccc2C1 2294335476 BRKNKJUJYYWASV-QHCPKHFHSA-N 430.386 4.815 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2294938843 YVCKRDIWGLQOAG-LCLWPZTBSA-N 433.390 4.567 30 10 IJEE CC[C@](NC(=O)OC(C)(C)C)([C@@H](C#Cc1ccc(Br)cc1)NC)C(F)(F)F 2296299993 BMWCTGRWEXXSAW-QAPCUYQASA-N 449.311 4.624 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C1CC1 2296300062 CKHVGMRMWMXSKX-RBUKOAKNSA-N 435.406 4.718 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2296305385 SVYHQQNXYXBUCS-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(F)F)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302312978 MPENTKGCWVFWIP-NJYVYQBISA-N 436.543 4.513 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2307506706 WBRJMFLIOLNVSE-UAKAABGRSA-N 437.625 4.519 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 2308471374 FFSARNOSYJRGFK-WVCKHHOPSA-N 443.544 4.728 30 10 IJEE CCc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1 2314477058 ALPPWQDBBSBOBM-VWLOTQADSA-N 432.564 4.569 30 10 IJEE CN(C(=O)OC(C)(C)C)C(C)(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317351249 FPAJALWLFAXFBU-UHFFFAOYSA-N 432.370 4.751 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccccc2C)cc1 2321121989 BTAZOOJCRAWULZ-UHFFFAOYSA-N 437.569 4.687 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C2CCC2)cc1OCc1ccc(Cl)cc1 2321901766 VULIVZBZQLTWEJ-UHFFFAOYSA-N 428.945 4.958 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OC(=O)c3ccccc3)c2C)C1=O 2322662842 HRNSUSCHWMVCJI-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)COc4ccccc4OC)ccc3C2=O)cc1 2323118183 CLFXKVSWEASULX-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)c1 2323126751 SYWWGRFOSVVURJ-UHFFFAOYSA-N 426.346 4.948 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323370848 ZPCOISUMTLDDSF-UHFFFAOYSA-N 444.439 4.578 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)c1 2323889982 VEWMDJKKEOXVEC-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OCC 2324623453 YSYWBRVVXQEION-UHFFFAOYSA-N 431.916 4.548 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)c(OC)c1 2325761678 ZFJRHNDSHBWOFK-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2cc(Cl)ccc2O)cc1 2326289741 LRUDPJPGBFZOLB-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(C(F)(F)F)cc1 2327410465 JJPDERPWVVSXJT-UHFFFAOYSA-N 428.386 4.758 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2327975889 PWFXVZGOVDACCQ-UHFFFAOYSA-N 427.917 4.785 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1cccc(OC)c1OCC 2329918651 ZLTCUWKXRWVRKP-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCCC2)cc1 2331046478 FFWNCTDJZFHCCV-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2331138182 JXZRJWUCDPHKMJ-UHFFFAOYSA-N 435.431 4.996 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 2331502943 MYBRWKYBZOYLGN-UHFFFAOYSA-N 438.469 4.537 30 10 IJEE C=CC[C@H]1CCC[C@H]1NC(=O)c1cc(I)ccc1Br 2337074083 HTODPPGWCVHGEF-IINYFYTJSA-N 434.115 4.528 30 10 IJEE CC#CCN(C[C@@H](NCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2337908083 UYPWHQAINHOBDJ-MRXNPFEDSA-N 431.321 4.638 30 10 IJEE CCC[C@H](CN[C@@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2338511412 FPCBKNZBZYIRAW-RTWAWAEBSA-N 446.441 4.720 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(Br)ccc2OC)C1 2339212528 VNJKTKMTKLYOCL-QGZVFWFLSA-N 425.367 4.579 30 10 IJEE CCCCCCC[C@H](Cc1ccc(I)c(Br)c1)NN 2349841237 IASUGMWZLHYXBY-CYBMUJFWSA-N 439.179 4.789 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2365228457 PSRKGTMREKCTAV-MSOLQXFVSA-N 439.394 4.723 30 10 IJEE COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)c1 9731716 OFCRQCFEBMTOKH-NRFANRHFSA-N 436.899 4.638 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2C)Nc2cc(C)ccc2OC)c1C 32972223 ZPARWOMFOLCBJA-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE COc1cc(/C=C2/C(=O)ON=C2c2ccccc2)cc(Br)c1OCC(C)C 33456641 XKFSLUIQUCDHJW-CXUHLZMHSA-N 430.298 4.837 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)SC1=S 33645748 HCLQSAZWEHQDFJ-UYRXBGFRSA-N 425.531 4.610 30 10 IJEE CC(=O)/N=C1/N=C(O)/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)N1C 33731123 VJLBENBKNHQVLC-CXUHLZMHSA-N 448.357 4.551 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OC)c2)c(OC)c1 34954723 OJYLMLAWOGBPQB-XYOKQWHBSA-N 436.435 4.967 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)c1 35420838 LRRYBTBSJXSWSN-GJCOWUBNSA-N 444.512 4.890 30 10 IJEE Cc1c(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N 38623657 BIIPZUCNDUNUFY-MAUKXSAKSA-N 449.309 4.695 30 10 IJEE C=CCOc1ccccc1NCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 66062503 GVSMHGKJBBRNJP-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE C=CCn1nc(SCCC(=O)N2CCCCCC2)nc1-c1ccc(Br)cc1 72261990 WXIXOWGYPYSFGV-UHFFFAOYSA-N 449.418 4.778 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1 102911831 FALLUFXCCVFCIL-SADKCHQCSA-N 434.517 4.552 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 169926881 JTRURDUONWBODE-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)c1 169934784 UNEDKWGNHVSURL-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169987810 BBDMZEJSKOJFOD-GOSISDBHSA-N 442.399 4.717 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccc(O)c2)cc1C 170083460 CNUMOHRKNCRMOO-QFIPXVFZSA-N 439.471 4.668 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1 170094594 BUOAFFRZZRRCLN-QFIPXVFZSA-N 430.460 4.638 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(C)o2)c1 170102586 YEDZNBOEGZGETE-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)c1 170138452 VQDNFSZLYGOAMW-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccn1)c1c[nH]c2ccccc12 170176461 RKZWOKNUKQAMNI-NRFANRHFSA-N 431.398 4.624 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)cc1Cl 170198176 LJBCEKLOKNTTOI-IBGZPJMESA-N 440.908 4.584 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccncc2)c1 170200536 XVSAKLHUWHNSDX-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)c1 170225492 JLUQJLJCGFFTJQ-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1 170237534 GOBYXGOISURQTG-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccc1F 170253168 UBIZVDDWYOZNSM-NRFANRHFSA-N 427.472 4.611 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCO2 170296212 FKZSSTBIRZYLQD-JOCHJYFZSA-N 433.435 4.522 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)c1 170296376 GBUSGKGOVHEBQF-DEOSSOPVSA-N 443.499 4.946 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccc(C)o1 170304669 CFQWXFCQBAWMSI-NRFANRHFSA-N 437.423 4.533 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170346983 ZJNZWLVNYIGANP-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OCC)c2)c1 170363405 VKJCARQLPKRWHV-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC)c(OCc2ccccc2)c1 170439044 KLWISDOTWPQZCW-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCN=c1scc(-c2ccc(Br)cc2)n1N=Cc1ccc2c(c1)OCO2 254701239 OIUZSOLAWVLXFL-UHFFFAOYSA-N 430.327 4.511 30 10 IJEE CC(=O)Nc1ccc(C(C)=NOCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 254759256 PGRGCDDFWRRZBQ-UHFFFAOYSA-N 429.520 4.615 30 10 IJEE Cn1c(Sc2cc(C#N)c3cc(Cl)ccc3n2)nnc1[C@@H]1COc2ccccc2O1 301936389 UNRDIOVGMPEXGN-SFHVURJKSA-N 435.896 4.552 30 10 IJEE C=CCCCCCCNC(=O)c1cc(Br)ccc1I 311618848 LIPJYGRQKRWJPJ-UHFFFAOYSA-N 436.131 4.920 30 10 IJEE N#C[C@H](CNc1ccc(I)cc1Br)c1ccccc1 381773689 BSRCYKMRRXAHLG-GFCCVEGCSA-N 427.083 4.773 30 10 IJEE N#CC1CCC(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)CC1 441013004 MTTJOLGTIVSALV-UHFFFAOYSA-N 431.540 4.728 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 465377878 RJKRPKDBKLAJLE-LBPRGKRZSA-N 427.979 4.802 30 10 IJEE C=CCN(C(=O)c1cccc(-c2nnc(CCOC)o2)c1)c1nc(-c2ccccc2)cs1 498245416 XJFWBCYDZBFONO-UHFFFAOYSA-N 446.532 4.882 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 500524167 LFXYLNRBSJOKAS-FCHUYYIVSA-N 429.996 4.651 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2cccc(Br)c2)CC1 522494069 ZEFJAKNPKSCJSO-UHFFFAOYSA-N 444.329 4.787 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 558983838 CJPLUQSVYFSUSS-WIYYLYMNSA-N 446.530 4.934 30 10 IJEE CCOc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccs2)cc1OCC 586220618 VJCSMGALNZYXAM-UHFFFAOYSA-N 442.562 4.813 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)c(F)c1 609254379 PPEQIZNDIFOUMQ-UHFFFAOYSA-N 435.480 4.941 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 669816258 KICUTQCFNWMMLP-RDPSFJRHSA-N 448.567 4.752 30 10 IJEE COc1cccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)cc(Cl)c2)c1 738014268 RLFXZRGNUQWUNI-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1C#N 752195875 KALVKQPUUZDRQE-CVEARBPZSA-N 433.386 4.767 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C(=O)O)c2ccc(Cl)cc2)cc1OC 756334156 ZHFSDFFEHXNTKQ-QGZVFWFLSA-N 440.721 4.591 30 10 IJEE COc1cccc(Cc2cnc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)s2)c1 757922399 VGWKAPUKGUTEBZ-UHFFFAOYSA-N 443.532 4.772 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1csc(Cc2ccc(Cl)cc2)n1 780176050 MGXCPMDAIVQHAB-NRFANRHFSA-N 434.945 4.692 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2ccc(C(C)(C)C)cn2)nnc1-c1ccco1 785553350 RINHUPXTQPBMSG-UHFFFAOYSA-N 426.542 4.642 30 10 IJEE C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 790698682 RDIMUMMUYSOVNB-GCJKJVERSA-N 449.576 4.766 30 10 IJEE C#CCN(C(=O)NCC(C)(C)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 801064405 ZMXWSUHZZNWZCU-AWEZNQCLSA-N 433.268 4.506 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccoc1C 832022554 DDIUVTPNXPOKKM-KRWDZBQOSA-N 437.569 4.752 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 918172533 CCKVKMODEPRDQI-SFHVURJKSA-N 437.565 4.839 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(OC)cc1 1084312167 JTXWNJVTNKYPHO-SFHVURJKSA-N 447.919 4.634 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 1126141261 KEUIMNMQTZQART-UHFFFAOYSA-N 425.598 4.855 30 10 IJEE C=CCc1cc(C(=O)N2CCc3c(ccc(OC)c3OC)[C@@H]2CC)cc(OC)c1OC 1130550937 TWEWYCWPNVURES-FQEVSTJZSA-N 425.525 4.599 30 10 IJEE C=CC[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccncc1 1136820500 XDDHURPNYGKWOX-CJAUYULYSA-N 441.531 4.742 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)c1C#N 1138226957 AEZYHKDFJWZWKP-UHFFFAOYSA-N 435.471 4.722 30 10 IJEE C=CC[C@@H](CC)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1139357256 WAFVTSCKOHTUTR-OAHLLOKOSA-N 441.380 4.808 30 10 IJEE C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)OCc1ccccc1 1144131189 IDVJDPZFIHCTAM-GOSISDBHSA-N 430.529 4.712 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1166623513 YLQACWVQZOSSNK-UHFFFAOYSA-N 430.533 4.528 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F 1175944485 HQFPPESHVXKARL-SIKLNZKXSA-N 440.421 4.615 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1ccc(OCC(F)(F)F)cc1 1194213790 UXJJGZDQIBRERW-MRXNPFEDSA-N 426.504 4.724 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC1 1197694545 KYNQUPPZMDTBAV-UHFFFAOYSA-N 425.476 4.688 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2cccc(Br)c2)cc1 1199059426 TURAPFFUVFQHJN-UHFFFAOYSA-N 442.357 4.628 30 10 IJEE C=CC[C@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)c1ccncc1 1222021447 IJFPGYFPYIVCEJ-FQEVSTJZSA-N 433.462 4.791 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)C1 1248676593 PNVFRVRHXPIWMW-SFHVURJKSA-N 429.923 4.510 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1263293454 NSPKENHOSWXQCS-UHFFFAOYSA-N 429.568 4.537 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCc3cc(Br)cc(C)c32)c(OC)c1 1264925940 AZLZVAIERNNGEE-UHFFFAOYSA-N 430.342 4.853 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCCN1C(=O)OC(C)(C)C 1270612503 DKNOGDPMMLHPJO-AREMUKBSSA-N 448.567 4.618 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(F)(F)Br 1286280948 GFYUOIOIDLYASF-ZDUSSCGKSA-N 425.321 4.688 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](c1ccco1)N(C)C 1286438429 VSFSEGKXQSXHAW-IBGZPJMESA-N 437.613 4.631 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1286585111 BDNOASNYDDOWNK-BJLQDIEVSA-N 448.995 4.505 30 10 IJEE C=C(C)Cn1c(N(CC2CCC2)CC2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286598474 LXWRPBTUMVDMJZ-BGYRXZFFSA-N 429.609 4.641 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1286664472 XIICUIBFZZMPFV-QFIPXVFZSA-N 437.588 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC)[C@H](C)C1 1286675605 QLGLQNHTFDVYTC-OAQYLSRUSA-N 425.621 4.607 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1286678544 ZBNKJWLUGCQJFR-JTHBVZDNSA-N 433.600 4.895 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@@H](C)C[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1286680812 FMPKYWMIWKEWPR-HRKISDNUSA-N 438.616 4.772 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC[C@H](C)C1 1286748607 XKZRGLPHFJXPOS-VQTJNVASSA-N 436.579 4.725 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Cn1c(C)c(Br)c2ccccc21 1291877847 SICBHSOKVYZTOZ-UHFFFAOYSA-N 427.342 4.936 30 10 IJEE C[C@@H]1CN(c2ccnc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2)C[C@@H](C)O1 1296261609 AEHMQXYXZMOTCQ-VAMGGRTRSA-N 440.547 4.725 30 10 IJEE C[C@H]1CN(c2ccnc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2)C[C@@H](C)O1 1296261610 AEHMQXYXZMOTCQ-ZCNNSNEGSA-N 440.547 4.725 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1300347634 FQTTYFUQZFILEP-UHFFFAOYSA-N 444.457 4.843 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1300356681 DSIGUAOTVVUPCC-UXHICEINSA-N 446.599 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1Cc1c(CC)nn(C)c1CC 1300907700 OYXQVNNLAVFTHC-UHFFFAOYSA-N 426.996 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1301141913 SFJSUTAOMYWWOA-HDICACEKSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2Cl)CC1 1301146300 ZFKTUHHBODRNAW-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC2CC2)CC1 1301153885 HFJLSMIVYZZFGG-UHFFFAOYSA-N 428.024 4.657 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1301244990 CFQBXCGKUQTOSN-LEWJYISDSA-N 440.588 4.714 30 10 IJEE C#CCN(C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 1308633279 IHFZWHKRQCZFQL-BDNZGDGKSA-N 425.370 4.987 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(I)cc1OC 1308783168 SWJJQJNRKKJMGW-UHFFFAOYSA-N 427.669 4.577 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 1309640089 XVHTZNAHMHHURE-VXKWHMMOSA-N 427.566 4.654 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCCO[C@@H]1CC(C)C 1312562384 WENYUHQIFYLEQD-RTBURBONSA-N 427.358 4.880 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccc(Br)s2)CCCN1C(=O)OC(C)(C)C 1350423908 UEXGWLPFUGIEAU-LJQANCHMSA-N 443.407 4.815 30 10 IJEE COc1cc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)ccc1C(F)(F)F 1351222869 GXEHZTGSUKNHCQ-UHFFFAOYSA-N 432.427 4.746 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3Cl)nc2)cc1 1351529518 XYEQWBPLYWCUAN-UHFFFAOYSA-N 432.911 4.864 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1354035606 DGCZWLGLNHYWMA-LHSJRXKWSA-N 425.356 4.964 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)CCCN1C(=O)OC(C)(C)C 1355304464 SIOTXNZHRBQLGZ-XMMPIXPASA-N 439.487 4.745 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(C(=O)N4CCCCC4)c3)cn2)cc1 1355411877 HWMPYFAILAOFBX-UHFFFAOYSA-N 426.476 4.624 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cccc(CSc3ccc(C)cc3C)c2)c1 1358017514 CNRDCPBZMHJOIY-UHFFFAOYSA-N 428.557 4.946 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)S[C@@H](C)C1 1358907040 AWVLVYJQMZMZLQ-KBPBESRZSA-N 439.448 4.903 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1358936375 LYUSOSTWGWZLNS-KYFSNAEOSA-N 439.431 4.630 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H](C(CC)CC)N(C)C 1359005352 FGMSZBCZNSVTLB-FQEVSTJZSA-N 446.437 4.534 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1nc(C)c(C)s1 1359017716 PGNVJSWFTLASHS-UHFFFAOYSA-N 437.588 4.911 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOCCC(C)C)CC1 1359176217 PRTXHURQOVGDIV-UHFFFAOYSA-N 426.561 4.529 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCCC[C@H]2CC)CC1 1359181282 MXTUKDJRTKWMAG-HSZRJFAPSA-N 437.632 4.832 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCCC[C@H]2C1 1359199020 IOJSWOGGVUYEFJ-IBGZPJMESA-N 431.531 4.577 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359220051 MMOSILLKHSULKO-HXUWFJFHSA-N 437.632 4.751 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1359221736 LZYUYQXIHUDRIN-MOPGFXCFSA-N 437.371 4.981 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCCOC1 1359224699 ZQYGSRXPUQKJJP-INIZCTEOSA-N 439.387 4.707 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCc2cc(Br)ccc2C1 1359227547 DQOOPHFASAFPOV-UHFFFAOYSA-N 447.421 4.785 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1Cc1cc(Cl)c(OCC)c(OC)c1)C1CC1 1359249941 VZDUKIVENBLSDZ-UHFFFAOYSA-N 439.947 4.604 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCOC1 1359267557 KPYZHAXDMOJZGF-JOCHJYFZSA-N 431.584 4.958 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(C)C 1359309025 GANXJHTVTFTTLU-UHFFFAOYSA-N 444.377 4.741 30 10 IJEE N#CC1(c2ccccn2)CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 1436045260 FPBWBGMEZACQPC-UHFFFAOYSA-N 427.291 4.741 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCC[C@H]3c3ccccc3)CC2=O)cc1Cl 1436262987 DPWUKBGUJQHTGN-VWPQPMDRSA-N 435.955 4.655 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(NCCc4ccccc4)cc3)n[nH]2)c1C 1457597021 AJYZHUGVLQLQSS-UHFFFAOYSA-N 440.551 4.983 30 10 IJEE COC(=O)c1ccc(Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)c(C#N)n1 1458155561 BQGNBGMJEMEBBL-UHFFFAOYSA-N 440.459 4.619 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C(F)(F)F)cc1 1460040387 IQXIWAHICFHROG-HNNXBMFYSA-N 428.160 4.799 30 10 IJEE COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3cccc(Cl)c3C#N)s2)cc1 1463106780 HMDZJOQEMJPMHV-ZDUSSCGKSA-N 447.969 4.692 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 1470075748 ZMCJVIZWUSROAH-VGOFRKELSA-N 430.545 4.800 30 10 IJEE CCc1ccc([C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)N(CC)CC)cc1 1470355514 GXHSGMMMQWIUMM-AREMUKBSSA-N 448.611 4.757 30 10 IJEE C=CCn1c(SCCN(C)Cc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472907325 ARHABKCXBBJCCO-QGZVFWFLSA-N 439.650 4.993 30 10 IJEE Cc1c(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)sc2ccc(C#N)cc12 1475089983 DQGXRYSFVNEIAF-UHFFFAOYSA-N 439.587 4.726 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)c1 1476151548 YOFUPPUTRWDRDM-XMMPIXPASA-N 434.467 4.766 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 1478313028 XIWAOEPVCBDNGC-QRWLVFNGSA-N 433.321 4.509 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 1478806646 LNMFKIVKLSVZIX-VQIMIIECSA-N 426.866 4.879 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@@H]1C 1507523711 QUOLEQPRHRVDTG-UXHICEINSA-N 439.673 4.998 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1507526454 HNJFAULQLGSMON-PXNSSMCTSA-N 425.964 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1507537207 SRALFWRABXIEFJ-XTJBDQBJSA-N 447.652 4.780 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1507580212 VZBPLPABKWMVKQ-SANMLTNESA-N 436.600 4.790 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCCS1 1507704469 DBWPIOJWGPZLHW-DEOSSOPVSA-N 426.630 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)CC1 1507796141 LBUSJENUQLPANL-ICSRJNTNSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@](C)(OC)CC1 1507807482 VTIFOTIRJZGNMI-KTIWRFAQSA-N 438.616 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1507813851 BYUFWSZGHDTLMZ-SFHVURJKSA-N 435.572 4.826 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1507826997 NPOAFTIIKRFHNI-IBGZPJMESA-N 445.405 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCn2nc(C)nc2C1 1507910822 CIYZQMKIEVUHOT-UHFFFAOYSA-N 433.604 4.765 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1507917037 KHMKQYHUVDCZHH-LJQANCHMSA-N 431.669 4.846 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCCCO1)c1ccccc1 1507928778 LSTSNCOJOYKTAO-ZEQRLZLVSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1507933766 SJAUAGVDAGPOQJ-UHFFFAOYSA-N 439.604 4.591 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1507936685 IANZIEHWNBBJKS-PZJWPPBQSA-N 442.007 4.987 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1cccc(C)c1 1507955196 WCTGBUGROUPQTM-FQEVSTJZSA-N 441.576 4.629 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1Cc1cc(COC(C)(C)C)on1)C1CC1 1507996965 MUCXCAZCWKAIRX-UHFFFAOYSA-N 435.572 4.684 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC1(OC)CCCCC1 1508007531 DIGAUNOJXZXDIP-UHFFFAOYSA-N 437.613 4.867 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1508061221 LKXIYDXBVBAQIE-ICSRJNTNSA-N 429.609 4.595 30 10 IJEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1 1517213508 BXXVWQJEPYZFFY-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE CC(C)N1C(=O)C[C@@H](C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 1524075281 DYRNDFQXBXXCBI-IIBYNOLFSA-N 448.325 4.619 30 10 IJEE CO[C@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccccc1Br 1526158413 DMUMDWWAQDGVRM-FQEVSTJZSA-N 425.282 4.835 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 1531440920 FMIVDDYAGDGRMI-SFHVURJKSA-N 426.582 4.549 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(F)ccn2)c1 1531690840 VTCCSKAJUFUBDD-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1csc(C)c1 1539301681 VAKJZSLADNWTMG-UHFFFAOYSA-N 425.561 4.683 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1539499034 BTNHGXRMKKVCJH-HOTGVXAUSA-N 447.446 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC(C)CC1 1539672204 TWZHWQMGLBQCDM-UHFFFAOYSA-N 431.575 4.672 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2ncc(CC)s2)CC1 1539828035 CXFMTYSMZRGGGM-QGZVFWFLSA-N 441.576 4.975 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1539963523 WKVPHFKKMBWIRT-DENIHFKCSA-N 427.568 4.730 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCC[C@H]1C 1540128638 NZQXPLMCJAJAAL-IBVKSMDESA-N 433.600 4.626 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N(C)Cc1csc(Br)c1 1540880524 IXBONRWNXWDEQA-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCCC1(F)F 1541358730 IEAQXRQGKLZZBJ-FQEVSTJZSA-N 442.558 4.815 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 1542132525 ONBWYLMMXWHIKG-LPHOPBHVSA-N 449.979 4.676 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 1542616683 KUUIHPSSTMGMIR-UHFFFAOYSA-N 439.560 4.521 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C)n(-c2cnn(C)c2)c1C 1542727785 MFTWEVOQKJCMHB-UHFFFAOYSA-N 445.336 4.558 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 1543967916 FEPGYXOCXKOSSE-IERDGZPVSA-N 443.906 4.686 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccsc1 1552853040 BKQYUJAKUGMZSI-NRFANRHFSA-N 434.613 4.808 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 1559743164 GCWZWHBALBGSCA-FQEVSTJZSA-N 428.483 4.610 30 10 IJEE O=C(CN(CCC(F)(F)F)CC(F)(F)F)N[C@H](c1ccc(F)cc1)C1CCCC1 1559804922 BJZAFVJPSFGEEA-KRWDZBQOSA-N 428.392 4.990 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1[C@H]2CC[C@H]1CC(c1noc(C)n1)C2 1562929035 FJJVOJIGBRJIPE-HOTGVXAUSA-N 447.333 4.648 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Cc2ccccc2F)CC1)c1ccc(Br)cc1 1564999383 JGLBOEJTQFIZMM-NRFANRHFSA-N 429.333 4.927 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 1565277075 FKUAXESOUPCXSJ-QNWVGRARSA-N 427.495 4.633 30 10 IJEE Cc1cccc(N2CCN(CCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 1565669192 DNQVGLMNGRVBEC-UHFFFAOYSA-N 440.547 4.810 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(F)c(SC(C)(C)C)c(F)c3)cc2C1=O 1583222815 KMDHPMAERFNBIJ-UHFFFAOYSA-N 430.476 4.890 30 10 IJEE CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCCC[C@@H]1c1ccccc1 1583894582 FAWSSUOHVHECPA-YLJYHZDGSA-N 427.342 4.884 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCc1nccs1 1587567159 CJQVJDATONAKAZ-GOSISDBHSA-N 444.608 4.900 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1588105405 XAVQYBUJZFZMFV-VWLOTQADSA-N 445.655 4.826 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1CCCC[C@@H]1C 1588302469 ZBGOLNHJCZNJSK-NRFANRHFSA-N 432.616 4.551 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1589615314 PCBVYIYMLQPFQY-QGZVFWFLSA-N 448.999 4.699 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1593654964 OSGFVOGEYCPJMW-MRXNPFEDSA-N 428.631 4.613 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1OCCC1(C)C 1594560233 ZRDDPBPUDVHACN-FCHUYYIVSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1594687013 BGJZJUUTGVEMBD-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC[C@](C)(CC)O1 1594895164 GFHSTLNJLMQNQA-IERDGZPVSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCC(=O)Nc1ccccc1 1595157225 YSPKZTGLGHECPX-UHFFFAOYSA-N 432.553 4.556 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2ccccc21)C(C)C 1595171792 YMWHISBEERNRGH-DNQXCXABSA-N 435.616 4.913 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@H](CC)NC(=O)OC(C)(C)C 1595196067 KCCNJTWGQIRANU-KRWDZBQOSA-N 429.540 4.566 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(F)cccc1Cl 1595223577 XRMKPPQRGJXTCM-UHFFFAOYSA-N 436.922 4.536 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)c2cccs2)CC1 1595319181 DRJURCWMAINRMJ-MRXNPFEDSA-N 440.544 4.904 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)cc1 1596797856 CMVXCNHIOBUZBX-ZDUSSCGKSA-N 448.365 4.747 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CC1CC1 1597203828 FBURDWACBOCVEJ-PKTZIBPZSA-N 446.599 4.788 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC#N)N1CCCC1 1598264635 FYYZHUYBWCYBCM-JXFKEZNVSA-N 432.975 4.596 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@]3(C2)CC(F)(F)C3(F)F)s1 1616349154 CIWIMQQUGKUGIL-AWEZNQCLSA-N 428.904 4.732 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)c3ccc(C(F)(F)F)cc3)n[nH]2)c1C 1616570418 WWTIGCIIFWMOJV-UHFFFAOYSA-N 445.489 4.802 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 1618356546 ARUGIDXNMVIMPA-CQSZACIVSA-N 436.858 4.911 30 10 IJEE C=CCN(C)CCN(CC)C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 1618807328 MOMDIWZHMYCUAO-UHFFFAOYSA-N 445.394 4.976 30 10 IJEE C=CCN(Cc1cn(-c2ccccc2Cl)nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1621253722 HHDIUVGVELGYNP-DEOSSOPVSA-N 437.971 4.997 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 1622976015 HOMNKKRHKHUNCL-UHFFFAOYSA-N 448.473 4.770 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1623086268 CFZCJFBGXJMDEF-PMACEKPBSA-N 441.572 4.590 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2csc(Br)n2)cc1 1626174867 BURAIUOCUINSFF-UHFFFAOYSA-N 430.302 4.759 30 10 IJEE CC(C)(C)OC(=O)N(CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)CC1CC1 1628411704 BYGVLLHPDMEJAA-UHFFFAOYSA-N 439.581 4.940 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 1634513350 DZLLOOSEDAOEMW-SFHVURJKSA-N 425.342 4.542 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)cc1 1635152411 OEUSVKFMNWFAFS-UHFFFAOYSA-N 439.556 4.618 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)nnc1-c1ccco1 1635935997 SKHSLCMNKAUXOS-KOMQPUFPSA-N 444.507 4.547 30 10 IJEE C#CCN(C(=O)[C@H](C)Sc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1649382406 HUKONOYXEBHBRK-INIZCTEOSA-N 437.005 4.682 30 10 IJEE CN(C[C@@H]1CCCCN1c1cc(Br)c(C#N)cc1F)C(=O)OC(C)(C)C 1651426283 JVIGUGPZCQQPMA-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](c2nccn2C)C(F)(F)F)cc1OCC 1651709271 IJTKMIREYVUWDV-MRXNPFEDSA-N 448.283 4.539 30 10 IJEE C=CCn1c(SCCCCCNC(C)=O)nc2sc(-c3ccccc3)cc2c1=O 1652569671 PCAXZMQKFDVFJQ-UHFFFAOYSA-N 427.595 4.710 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCSC[C@H]3C3CC3)c2C#N)C1 1653665711 HPMKUSHZFBWZMU-APWZRJJASA-N 431.671 4.927 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(Cl)c2nonc12)c1ccc(C(F)(F)F)cc1 1654703017 WPDVIXDCCLNUKO-AWEZNQCLSA-N 445.850 4.881 30 10 IJEE C=CCn1c(SC[C@H](COC)c2ccc(Br)cc2)nc2ccccc2c1=O 1656040144 OUHWWLYFUWWESA-INIZCTEOSA-N 445.382 4.867 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)COc2cc(Br)ccc2Cl)cc1 1656388911 FGFKJZBQBSBVSI-UHFFFAOYSA-N 437.721 4.827 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2COc3cc(F)cc(F)c32)cc1OCC 1657156419 QRZTULYCBCIYQV-MRXNPFEDSA-N 440.284 4.914 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@](C)(O)c2ccccc2)cc1OCC 1657616294 VNPBJKWLNVYWAD-ZHRRBRCNSA-N 434.374 4.798 30 10 IJEE C#CCN(CCCP(=O)(OCC)OCC)[C@@H]1CCOc2ccc(Br)cc21 1658569336 ZNRXJLRBWJNZMI-GOSISDBHSA-N 444.306 4.864 30 10 IJEE C=CCN1CCC(NC(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OCC)c2)CC1 1660153443 QRJCRHGKEIOBAE-UHFFFAOYSA-N 439.581 4.786 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1 1660441272 ZFOHVFKGZYBHPD-XMMPIXPASA-N 447.560 4.649 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@@H]4CC[C@@]43CNC(=O)OC(C)(C)C)cc2n1 1664854971 WUFGJFIQSPXFNB-HOYKHHGWSA-N 439.560 4.524 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)c1 1666772979 ACRUYNSSFJOVME-SFHVURJKSA-N 431.334 4.953 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 1668965010 LCRIBHICRXBEQS-UHFFFAOYSA-N 443.425 4.751 30 10 IJEE N#Cc1cc(NC(=O)N2CCN(CCOc3ccccc3)CC2)ccc1Oc1ccccc1 1670536420 CZDLCKYUWDUJPY-UHFFFAOYSA-N 442.519 4.579 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2cccs2)C2(CO)CCC2)cc1 1673819441 FMBAAOYDTZNJOV-NRFANRHFSA-N 439.581 4.588 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 1676881333 TXXIGOJNMNVLQM-SFHVURJKSA-N 425.960 4.766 30 10 IJEE O=C(NCc1cc(F)ccc1OC(F)F)Nc1ccc(OCC(F)(F)F)c(F)c1 1676890781 ATMRHGCSCSSIMV-UHFFFAOYSA-N 426.288 4.829 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1)c1ccc(Cl)cc1F 1683517021 OLCPXRBJYUDRGM-ILBGXUMGSA-N 439.962 4.851 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(Br)c(F)cc2C1)c1ccc(Cl)cc1F 1683690386 ZIRXIKDDQYLNRT-SFHVURJKSA-N 439.687 4.823 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1Cc1ccc(OC)cc1)c1ccc(Br)cc1 1686920458 YNWIYFHJCWUUPG-IFMALSPDSA-N 441.369 4.939 30 10 IJEE C#CCN(C(=O)NCC(C)(C)C(C)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1687339234 MRENIZJJOBXVET-OAHLLOKOSA-N 429.305 4.599 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccco1 1689881261 LDXZWBRJXMVQHJ-UHFFFAOYSA-N 431.309 4.880 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1689922355 KLBISJBJASTCDQ-NRFANRHFSA-N 440.035 4.960 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1690048343 IGOHMDMAWXBCFE-REWPJTCUSA-N 439.003 4.581 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCS1 1690064919 CZZFRGVKCDTEJE-AWEZNQCLSA-N 439.810 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1nccs1 1690193694 PLECYYLKZUDUSQ-OPAMFIHVSA-N 441.988 4.763 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCCO 1690195943 SKYZJTZFPSZVOD-XMMPIXPASA-N 435.597 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690200280 QTFVLUYZPLUQTL-AOJNWGRGSA-N 431.584 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1cnn(CC(C)C)c1C 1690201751 WTWXYHKSEGGHOH-XMMPIXPASA-N 436.991 4.800 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690278479 CFQZDPSQJZNSPY-IEBWSBKVSA-N 441.645 4.593 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1690515558 PENJLQDRFQLACK-MRXNPFEDSA-N 427.549 4.735 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 1690554205 XQHLDIPWOZNOBP-BDKRGJGYSA-N 430.637 4.803 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1CCCCO1 1705483127 NYIIKSITJWLSRE-CABCVRRESA-N 437.407 4.576 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C/C=C\CC)CC1 1705634576 CDNJGSISHVLOKZ-YVMONPNESA-N 425.989 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1Nc1cnn(C)c1 1705709354 NVHFUCLGJQCVPW-QRWLVFNGSA-N 444.992 4.682 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1705737043 IQSSSXIQTXJANT-FQEVSTJZSA-N 432.996 4.691 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705811094 QTQMNLICDWXAGP-RTWAWAEBSA-N 439.604 4.753 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCC[C@H](COC)C1 1705827054 RZUVAIXLPCXAKE-NRFANRHFSA-N 449.599 4.647 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCc1ncc(CC)s1 1705865706 SGGQVBJZAVVLNJ-UHFFFAOYSA-N 436.610 4.856 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1Cc1cc(COC(C)(C)C)on1 1705866017 FBNYNKWDHNTYFO-UHFFFAOYSA-N 427.574 4.761 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)c1nccs1 1705881972 HRFROTMLZFRPLT-AWEZNQCLSA-N 435.956 4.637 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)[C@@H]2C[C@@H](OCC)C2(C)C)nnc1C(C)(C)C 1705914138 HIXLYPGWUPDEDU-NHCUHLMSSA-N 426.605 4.829 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(C)(F)F)c2)C1 1705919454 FCCHPMQZAPCMHJ-LJQANCHMSA-N 428.483 4.788 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(c3ccccn3)CCC2)cc1C 1707531569 BFZLSFWTBVJQON-NRFANRHFSA-N 444.583 4.729 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1722348502 DHHSGSHPGCIZNO-UHFFFAOYSA-N 445.995 4.751 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)CC 1722419409 ADJGNSCMPCJWDW-UHFFFAOYSA-N 433.600 4.875 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722465568 OEIMFYSSTKXIRF-FPOVZHCZSA-N 426.630 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN(CC)C1CC1 1722503416 SZNCOBQJIZZRNL-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1c(C)noc1C 1722585649 DPOHMFWPKJRTFR-UHFFFAOYSA-N 439.560 4.806 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(-c2ccsc2)nc1 1722642685 LPGGLKISPIBDKA-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](CN2CCCCC2)C1 1722687989 ASQWSJMZPSCBBA-JOCHJYFZSA-N 437.632 4.787 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)c2cccs2)C1 1722720725 FWGXNTNMHXWDEA-NRFANRHFSA-N 436.625 4.998 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(COC)CC1 1740566998 FJUBECVBBQJRQE-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[C@H]1CCCCO1 1740734918 QPTBQZXNLLCPND-ATIYNZHBSA-N 436.600 4.815 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(Cl)ccn1 1740753322 IETGGWWTJFQRJR-OXQOHEQNSA-N 427.936 4.513 30 10 IJEE C=C(C)COCCn1c(Nc2ccn(C)n2)nnc1[C@@H](C)Oc1c(C)cc(Cl)cc1C 1740799546 OTBCSXVXYTTZKK-QGZVFWFLSA-N 444.967 4.758 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCCC2(C)C)CC1 1740842739 KNQVNWVHYLOYQH-FHAGJXEFSA-N 430.637 4.540 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740844915 YCFUPBFGFGYMCR-OAQYLSRUSA-N 434.588 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740851222 RDNUJZFOBUSHGY-CRAIPNDOSA-N 440.485 4.766 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1CSC)c1ccccc1 1740855621 NEBKBBFJELLABL-PKTZIBPZSA-N 433.625 4.956 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C(CC)CC)N(C)C 1740895631 OPQAGUDXNHBAAP-IBGZPJMESA-N 434.426 4.696 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1740901422 PYWAFVSIJADUML-QZTJIDSGSA-N 431.575 4.526 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1740911832 ZUTQAWKZJOOVTR-XLIONFOSSA-N 429.609 4.736 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccccc1Cl 1740921835 KXCAMWKRFYYFGR-UHFFFAOYSA-N 436.972 4.885 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CSCCS1 1740923520 NZZCQTNIHZGKJK-MSOLQXFVSA-N 436.672 4.622 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1740999489 JPLFTBOKMCRHAA-UHFFFAOYSA-N 443.661 4.767 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](c1cccs1)N(C)C 1741343493 FYBXFCQPMMNBHK-QFIPXVFZSA-N 446.624 4.931 30 10 IJEE CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OCC2CC2)nc1 1741508695 AXRFQYQKVSBEOC-UHFFFAOYSA-N 430.556 4.531 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OCC)C1 1748702433 HNJYNDFMQLXSHD-IBGZPJMESA-N 445.405 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1749136600 PMXNZYIKJFISAN-AJDBGRLRSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1749163517 MHXXYBVLTGBUSO-NQIIRXRSSA-N 431.650 4.878 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC=CO2)CC1 1749331409 ZNRKGAKKTFHHEZ-KRWDZBQOSA-N 447.352 4.942 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1749449817 VFYHGJHLWBMREG-QHCPKHFHSA-N 437.632 4.630 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CCCCC2)C1 1749461657 VAFDIHICHSAJLZ-NHCUHLMSSA-N 430.637 4.950 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1749512272 WKSSUYYPUUAYAW-SFHVURJKSA-N 429.565 4.551 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC(F)(F)C1 1749746993 RSKDJEABDLNWPE-UHFFFAOYSA-N 435.363 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1760102657 OBDVIVABRUJTAH-GREBRCKQSA-N 449.624 4.556 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1760134969 DRYBTFXMSWAXLH-UHFFFAOYSA-N 430.512 4.529 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)s1 1760140474 OQENTOYAMZTUOX-UHFFFAOYSA-N 444.402 4.528 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C1CC(C(C)(C)C)C1 1760242749 NEGHEUIWMAKPQG-LMDPOFIKSA-N 428.552 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](OCC)C1CCCC1 1760291411 NTDIOGRLIRZPSD-JYFHCDHNSA-N 431.584 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(C)C1 1760315860 JTKNRGZMBQJWDA-IPJJNNNSSA-N 426.536 4.695 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760358272 QAPRKQBYPDNBHS-QFIPXVFZSA-N 426.605 4.554 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C(CC)CC)N(C)C)CC1 1760392091 CUBVDNFGUJDVHW-HSZRJFAPSA-N 425.621 4.688 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760433608 VALVHGHTKMPAHW-MOPGFXCFSA-N 438.551 4.641 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(F)c1 1760502156 POXIMLFAECBHNG-QGZVFWFLSA-N 440.588 4.958 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1scnc1C 1760567544 FFESGTQVWFUKPZ-UHFFFAOYSA-N 438.626 4.671 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1Cc1nc(C2CC2)cs1 1762648404 BMEMNICJONAGDJ-INIZCTEOSA-N 436.585 4.540 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](F)(C#N)C1)OC 1764045370 CKEDUQAFRRECDP-NTKDMRAZSA-N 439.535 4.975 30 10 IJEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)o1 1764606838 BYEOLPCZQUQQIE-UHFFFAOYSA-N 430.512 4.732 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCN1C1CCCCC1 1768633047 CBYQIFMSWHOINO-HSZRJFAPSA-N 434.632 4.881 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1 1862390914 OPBLCRNHEPYPTR-HSZRJFAPSA-N 438.543 4.698 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862477273 KEIYUZOJNYDCQU-HSZRJFAPSA-N 449.453 4.931 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862482364 PCGGELDUVWGMNR-NRFANRHFSA-N 436.464 4.520 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)c1 1862505834 GLOGHFOQUDSNLY-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862536609 CFKNUZHGINMGMZ-LADGPHEKSA-N 449.547 4.795 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(O)c1 1862613871 RLTZYACBKPYRLZ-QFIPXVFZSA-N 437.536 4.693 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(F)cccc1Cl 1862653352 QXSXMNCKDPUECC-OAQYLSRUSA-N 439.870 4.857 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(OCC)c1 1862655482 JNGUAEUYCZZOQH-HSZRJFAPSA-N 429.472 4.708 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1 1863073125 XTZVCXCFSFQIKH-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H](C)O)=C(c2ccc(OC(C)C)cc2)C1=O 1863695655 UCAUIMFSVFTGQY-HXUWFJFHSA-N 444.616 4.665 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)c1 1866073369 JPUYFRYIRNJBQA-UHFFFAOYSA-N 441.874 4.845 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1 1868669384 ARGYOVFPXFZDTR-UCPLLFFYSA-N 426.626 4.535 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1 1868680653 MVZMZLGMDTXQKD-XZOQPEGZSA-N 428.642 4.626 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(C)(C)c1ccc(C)cc1 1868731371 HECHBUXWOJGKGO-VWLOTQADSA-N 448.607 4.687 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1C 1870099756 WQEUTLSGHMKELQ-UHFFFAOYSA-N 443.532 4.532 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(CC)cc2)cc1 1870145325 ZKQZDWQAOYVECU-UHFFFAOYSA-N 431.540 4.842 30 10 IJEE CCCCCCCOc1cn(CCCOC(C)C)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870411997 VKYZBCJBJPNBCV-VXKWHMMOSA-N 436.637 4.622 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C)cc2C)cc1=O 1871006743 VBUSFDDWVYWHCU-UHFFFAOYSA-N 425.532 4.813 30 10 IJEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(F)c(F)c1 1871213165 ORDMIFSMYIWYES-UHFFFAOYSA-N 426.463 4.691 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(C[C@@H]1COc3ccccc3O1)CO2 1871359713 XGARVXRHUGSMFI-ULDGNCBVSA-N 441.483 4.603 30 10 IJEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1C 1872787379 IRNOJXKQDGXKMR-SFHVURJKSA-N 436.533 4.872 30 10 IJEE COc1ccc(-c2nc(C3=C(N)N(c4ccccc4C(C)C)CC3=O)sc2C)c(OC)c1 1872796294 UBGBSHNDKZORGF-UHFFFAOYSA-N 449.576 4.976 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C(=O)OCCCC)c2)[nH]1 1873469950 PNDUDTZQJHEBJU-UHFFFAOYSA-N 442.523 4.536 30 10 IJEE CC(C)c1ccc(NC(=O)CSc2nncn2/N=C/c2cc3ccccc3n2C)cc1 1873502052 BZWDCWXEAZANQE-DHRITJCHSA-N 432.553 4.506 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1sccc1C 1874369613 JARLKPGARWYPAD-SRZZPIQSSA-N 434.974 4.896 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCCO)cc1 1874404172 LITVJIOHJBGHCO-NCELDCMTSA-N 438.597 4.599 30 10 IJEE CCCSc1nnc(-c2ccccc2)n1/N=C/c1cc(Br)cc(OC)c1O 1874429236 YOOGGJDRKJAMRB-CIAFOILYSA-N 447.358 4.806 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1C 1874440186 NOVPDBHQOOZRCC-LFVJCYFKSA-N 429.634 4.798 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)c1 1874482728 KEFXTMNIEBGPDH-LPYMAVHISA-N 425.514 4.667 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)ccc1O 1874482822 PHVGCGKPOKEAIQ-ZMOGYAJESA-N 428.533 4.994 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2)c1 1874489135 BLOQAFHTSBUDRQ-DHRITJCHSA-N 439.560 4.846 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)C)cc1 1874512980 ABMQWYOWIIZVPZ-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCO3)cc1C 1874583108 WUBVXLKFRSCBRM-DHZHZOJOSA-N 429.472 4.946 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccccc2OCC)CSc2nnc(COC)n21 1874871758 GDXXTBGBGPNSET-LJQANCHMSA-N 446.617 4.885 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1scc(Br)c1Br 1916314158 FJYVWBOFURNQSG-UHFFFAOYSA-N 443.986 4.810 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCCN1C(=O)OC(C)(C)C 1944716319 GZSPIRGGTBFWAM-AEFFLSMTSA-N 431.533 4.728 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3ccc(Cl)cc3Br)C2)OC1(C)C 1965479676 GCHAECQHOPJDHE-LBPRGKRZSA-N 428.563 4.801 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1984694269 JFSVWPGKEHINBV-QWHKJSHPSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C#N)Cc1ccc(I)c(Cl)c1 1995484389 TVPXWLGCMZHMAZ-QGZVFWFLSA-N 446.716 4.780 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C[C@H]1C 2070622648 WQNYFBIBPJEJBR-JJTGBXKASA-N 446.632 4.526 30 10 IJEE C=C(c1ccccc1)[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2076577578 AHDAAVBIUGOJMB-RPLLCQBOSA-N 435.612 4.847 30 10 IJEE CCC(CC)(CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N(C)Cc1ccccc1 2098953997 LECZOJJBJBTBQX-UHFFFAOYSA-N 436.449 4.766 30 10 IJEE C[C@H]1C[C@@H](CNc2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2115833132 QSKQPXJPOHZCAP-STQMWFEESA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(c2cccc(Br)c2C#N)CC1 2174769129 XGXQPVRGVRVDCH-HNNXBMFYSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2ccc(C#N)cc2Br)C1 2174807647 FDCLSMVSBBKSRP-AWEZNQCLSA-N 444.320 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC1CC1)c1ccc(C#N)c(Br)c1 2174812956 QMJVWUKHTRHYMA-GOSISDBHSA-N 434.378 4.937 30 10 IJEE CC1(C)C[C@@H](C(=O)Nc2ccc(C#N)cc2Br)CN(C(=O)OC(C)(C)C)C1 2181106439 WGSZZMZDUOSURZ-CQSZACIVSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)ccc1Br 2184352167 BGMMLVUDAANCCF-MRXNPFEDSA-N 436.350 4.950 30 10 IJEE C[C@H](NC(=O)c1cc(Cl)sc1Cl)c1cscc1B1OC(C)(C)C(C)(C)O1 2186627281 HMXIDODJSLZSGM-VIFPVBQESA-N 432.203 4.907 30 10 IJEE C=CC1(CNC(=O)c2ccc(I)c(Br)c2)CCCCC1 2189597133 JBLNHYDXKWIVPC-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Br)cc(OC)c2)C1 2201025846 HKIIKEDPXQVEDF-SFHVURJKSA-N 439.394 4.969 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CCCCCNC(=O)OCc1ccccc1 2220585438 CNBQIIGANGXVDS-NRFANRHFSA-N 443.385 4.875 30 10 IJEE C=C([C@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(F)(F)F 2229116227 LAEQJVIPXDLPCP-GJZGRUSLSA-N 437.300 4.591 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235719482 FXMAZMRPOBFTBX-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C 2235749095 GQXJCCUJXTYJEP-YNVMFWSZSA-N 435.406 4.670 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2296286130 IGKGMRVTHFJSQI-IEBWSBKVSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2296286332 KEWQPVSDLOZGAI-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296288060 BUZWFRDXIIPGPS-OALUTQOASA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2296288568 IQQXPMVPEPVYPH-OALUTQOASA-N 435.406 4.957 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2296298046 GBJZSLSHHSKEGZ-LQBOVUBWSA-N 433.390 4.568 30 10 IJEE CCN=C1S[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C1CCCCC1 2297451530 XYTSGRASIQPJSI-INIZCTEOSA-N 428.385 4.975 30 10 IJEE C=CCN1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=Nc1nccs1 2314486173 BDSJJBQSNWHBSR-UHFFFAOYSA-N 437.506 4.632 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NC[C@@H]2CCCCN2Cc2ccccc2)OC1(C)C 2317254801 HCSUYBMXEHNZHG-FQEVSTJZSA-N 441.812 4.501 30 10 IJEE CCOc1cc(C=Nn2cnnc2SCc2ccccc2)cc(Br)c1OC 2318574394 JXTMTPIVEADRMX-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2cc(C)ccc2C)cc1 2321215837 YBGGOFYRYJYYOB-UHFFFAOYSA-N 437.569 4.687 30 10 IJEE COc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2321993765 XHABIRAKANSMCX-UHFFFAOYSA-N 442.515 4.730 30 10 IJEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCCCN2CCCC2)C3)C1=O 2322381384 FKZMJIQCBGXCPV-UHFFFAOYSA-N 432.564 4.948 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1 2322455983 MZSQVFJOASLKQQ-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 2323395889 UQMQIERXZNBECB-UHFFFAOYSA-N 429.428 4.976 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2ccc(C)c(C)c2)ccc1OCc1ccccc1 2323396292 SHIKYWVCXPTKPW-UHFFFAOYSA-N 438.549 4.594 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OCCO)c(OCC)c2)cc1 2323840320 NAFAGNCFCQRPOP-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c1 2324584989 HABGUIZQGUCPIJ-GOSISDBHSA-N 435.461 4.625 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325714545 JJIFQNDQJXOLFW-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2N=Cc2cn(C)c3ccccc23)cc1OC 2325885175 LRJUKVUMZBXYLV-UHFFFAOYSA-N 449.580 4.566 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc(OC)c1OC 2328559500 ITBBPCPCPPFIEM-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1ccccc1)Nc1ccc(F)cc1 2330542756 HSEGFNHEJWBXJL-UHFFFAOYSA-N 437.525 4.759 30 10 IJEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2F)cc1 2330805460 RRURTEHUCJMBOJ-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)c1OC 2330887195 ORJBTLQZPRLLQI-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE COc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 2330961554 OFKCWWDLTUOCRY-LJQANCHMSA-N 428.945 4.966 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2331184805 WOJYBASAQHIEQZ-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1cnccn1 2331414121 IJXWXAOXWVQKOX-UHFFFAOYSA-N 446.503 4.907 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339595658 KLVRFKXUWXVZCF-LJQANCHMSA-N 444.381 4.798 30 10 IJEE CC1(C)OB(c2ccc(CSCCOC3CCC3)cc2Br)OC1(C)C 2349808248 LEQZGCCGNSNZDY-UHFFFAOYSA-N 427.213 4.551 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[C@@H](Nc1cc(Br)cc(F)c1C#N)C2 2358985149 WRQYDOAFAXZGJR-YCCRMZCTSA-N 438.341 4.954 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C(=O)C#Cc3cccc(Br)c3)CCC[C@H]21 2360196896 ZZEOXLJFAPHHFD-IPMKNSEASA-N 432.358 4.795 30 10 IJEE CC1(C)OB(c2ccc(CO[C@H]3CCCC(F)(F)C3)cc2Br)OC1(C)C 2377311128 RQFRLGCXKMZXMJ-AWEZNQCLSA-N 431.126 4.843 30 10 IJEE CC1(C)C[C@@](Nc2ccc(C#N)c(Br)c2)(C(=O)O)[C@H]1OCc1ccccc1 2378739211 GNHXYSATHSDUKL-RXVVDRJESA-N 429.314 4.571 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470885 GXQNYXQETXPZMF-MRUHUIDDSA-N 445.928 4.539 30 10 IJEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCCC(=O)NCc1ccco1 20291033 KWUQHWVCIPFBRN-UHFFFAOYSA-N 447.564 4.621 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 20829698 ZJRHIMRDFATREU-JOCHJYFZSA-N 432.593 4.535 30 10 IJEE CC1(C)Cc2c(C#N)c(SCc3ccc(Cl)cc3)nc(N3CCOCC3)c2CO1 21150597 QGSJJXNTORRIEA-UHFFFAOYSA-N 429.973 4.587 30 10 IJEE COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)c1 21233699 POODYWHCJSCDSD-GCJKJVERSA-N 449.547 4.743 30 10 IJEE Cc1c(C(=O)C(c2ccccc2)c2ccccc2)c(O)n(CCCOC(C)C)c(=O)c1C#N 38621812 RXPYCRXRGRGJTO-UHFFFAOYSA-N 444.531 4.564 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(O)c(OCC)c1 39914513 DPWXDMLWCUDRIC-QFIPXVFZSA-N 439.899 4.580 30 10 IJEE COc1ccc(Br)cc1/C=N/Nc1nnc(SCc2ccc(C)cc2)[nH]1 59019014 ATBSMUHGDKTQOX-KEBDBYFISA-N 432.347 4.623 30 10 IJEE CCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1 102586871 RMJCGIVVIGDMBE-LCPUNJGISA-N 429.900 4.579 30 10 IJEE COc1cccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)c1 103133477 HMTZOMCIURBNTF-DEDYPNTBSA-N 440.546 4.551 30 10 IJEE CC[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Br)cc1 110895996 MLGLKXXZAVPTNI-FQEVSTJZSA-N 442.357 4.743 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922234 LGDKXWQOOMVPPP-IBGZPJMESA-N 438.480 4.691 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1c[nH]c2ccccc12 170078062 FNKYAIIPAIOPPV-VWLOTQADSA-N 437.499 4.660 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C 170087666 HMCSPHMQOLRAKN-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1 170132058 DZENDSHQBGBJIW-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1)c1c[nH]c2ccccc12 170173764 RGYXFRLOYKEVHL-OAQYLSRUSA-N 429.863 4.999 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)c1 170184769 MEDBHEUEKGNICV-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1 170189107 KRLBPUXBSYFWAH-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccncc1 170198986 YFZRRXRORNOJGP-JOCHJYFZSA-N 436.552 4.691 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)c1 170205119 COIBVJMANCUWAX-XMMPIXPASA-N 440.499 4.757 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccncc2)cc1C 170212631 VZLXQXTZALXZEV-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OCC)cc1 170213965 ZTJYVMBDHFAEHO-LJQANCHMSA-N 444.325 4.836 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccccc1 170222585 ARMHSDXRHYQJAF-HXUWFJFHSA-N 443.927 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1)c1ccc(Br)cc1 170233938 MSUJXZPUHLBJGH-IBGZPJMESA-N 426.310 4.970 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170268494 ZBROWPJUZRQPDE-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccncc1)c1cccs1 170358566 JISULHIODSSKOR-QGZVFWFLSA-N 441.306 4.689 30 10 IJEE CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N[C@H](C#N)c2ccc(F)cc2F)cs1 208412988 OJCXMYSIYPKPFT-CIGMURNLSA-N 438.459 4.500 30 10 IJEE N#Cc1cc(Br)c(OCc2cc(F)ccc2[N+](=O)[O-])c(Br)c1 247651282 NEHOJTCUQWDHBD-UHFFFAOYSA-N 430.027 4.710 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C3/Sc4ccccc4N3C)C(=O)N2CC)cc1 254877123 DDKCAVWGGHZGGF-LBYYOSJDSA-N 439.562 4.857 30 10 IJEE C=CCCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 410342950 CTUFSIVTWQBNJF-UHFFFAOYSA-N 426.582 4.551 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1Cc2ccccc2C2(CC2)C1 460944950 JBGMJVJTXCTDKV-UHFFFAOYSA-N 446.551 4.599 30 10 IJEE CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(F)(F)F 471212538 VUKZECQGGBUNAT-AEFFLSMTSA-N 437.849 4.637 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H]1CCN(C(=O)c2ccccc2)C1 509074249 HYQIQXIQVAUOJH-HXUWFJFHSA-N 448.592 4.606 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526801317 KBNFTRUWVYOJQT-CFRMEGHHSA-N 428.533 4.950 30 10 IJEE C=CCn1c(SCCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1ccccn1 537195842 ABGUQKCGPFHGCH-UHFFFAOYSA-N 428.945 4.676 30 10 IJEE N#Cc1ccc(CN(C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)C2CC2)cc1 544163670 YBHDBMLZCNMBIU-UHFFFAOYSA-N 425.410 4.852 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(Oc2cnccn2)CC1 549667601 BHQXQQVYYVRHFO-UHFFFAOYSA-N 445.354 4.666 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC(C2CCOCC2)CC1 558673832 SYJJTEGVLNLTRY-UHFFFAOYSA-N 437.407 4.598 30 10 IJEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)Cc1ccc(Cl)cc1 577424762 FFQSIWBJROSEJL-HNNXBMFYSA-N 434.931 4.501 30 10 IJEE C=CCCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccccc1Cl 586171392 QDMWYHDQGIAWHQ-UHFFFAOYSA-N 437.989 4.947 30 10 IJEE CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1 732595962 FTDGLIHCZPVHNL-QHAWAJNXSA-N 446.528 4.879 30 10 IJEE Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)cc1F 762445523 QKFBBEQXTFCWOF-UHFFFAOYSA-O 440.907 4.976 30 10 IJEE C=CCn1c(CCN2CCCCC2)nn(CN(C)Cc2cc(Cl)ccc2F)c1=S 766090989 JWIWWZSFOJBLMT-UHFFFAOYSA-N 438.016 4.510 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 790387426 PFRLTHARGJYMAX-UHFFFAOYSA-N 448.954 4.751 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 809926988 YJMVMCFMILJJIA-RYLXDESZSA-N 433.383 4.729 30 10 IJEE Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)sc1-c1ccccc1 1124918412 BJDLSPBWQHJMFI-INIZCTEOSA-N 436.924 4.635 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3nc(Br)c4ccccn34)cc2)c1 1125753202 AANPJKXSZDKCGT-UHFFFAOYSA-N 447.292 4.800 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C(C)(C)C)cc1 1128143541 KOIVTWCDMHIJAK-UHFFFAOYSA-N 427.457 4.817 30 10 IJEE C=C(Cl)C[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OCC 1132192521 JERRVRZSDKIMKA-WSNITJDQSA-N 443.771 4.928 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(CN3CCCCC3)c2)CCCN1C(=O)OC(C)(C)C 1141581488 DCLGFEOQLLDCIH-RUZDIDTESA-N 427.589 4.957 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3cccnc3)Cc3ccccc3C)n[nH]2)c1C 1142039766 WNPIEWRWDGVUAE-UHFFFAOYSA-N 440.551 4.622 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 1142075778 ODGWIJXDXVGDJU-OAQYLSRUSA-N 434.561 4.713 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 1142470025 QXQFXRPCPPKFPQ-SJORKVTESA-N 444.906 4.818 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(F)c1C 1166203710 UEGBAPUYUOZGIM-ZDUSSCGKSA-N 435.721 4.871 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(I)c2)nc2ccccc21 1188053077 IGVFZUZGPPQXRM-UHFFFAOYSA-N 449.317 4.558 30 10 IJEE C[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 1188546822 GOWDGXFHSOOFDR-SNVBAGLBSA-N 429.357 4.773 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1(C(=O)OC(C)(C)C)CCCC1 1206194850 RZNMXLGWRQHJFC-UHFFFAOYSA-N 439.350 4.790 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@]1(C)Cc1cc(F)c(F)c(F)c1)C(C)C 1211221290 CJDKJPHNAUVHBT-URXFXBBRSA-N 437.550 4.909 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN2CC(F)F)cc1Cl 1214721265 APLPOYDOWUMYDZ-PKOBYXMFSA-N 432.902 4.846 30 10 IJEE CC[C@@](C)(COc1ncccc1Cl)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1217007915 GOBJHWDYHHGQOF-SFHVURJKSA-N 442.825 4.874 30 10 IJEE C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1224388210 CHRBMIOPSRPAJG-OAQYLSRUSA-N 448.611 4.541 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 1264834873 WNSWUIRCSLIBRL-AUSIDOKSSA-N 434.337 4.862 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccccc2Sc2ccc(S(=O)(=O)CC)cc2)c1 1275917126 GBOKBHXFKGJEFC-UHFFFAOYSA-N 435.570 4.543 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(C)C 1286291615 DDNJAUZQYFWAHS-OALUTQOASA-N 431.625 4.533 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H](C)CCSCC 1286534170 BYPSXYJCABKKJW-HNNXBMFYSA-N 439.423 4.830 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC(C)C)C(C)C 1286560633 HGKMMIMBGFBNAL-ZJSXRUAMSA-N 448.615 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](CC)OC 1286565978 IVOJXZGARVJXRJ-HNNXBMFYSA-N 437.382 4.544 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286588058 JSEQVONANUGFQH-KRWDZBQOSA-N 430.961 4.823 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Cc2cccs2)CC1 1286654145 BAVZEHAUPWIZMN-YADARESESA-N 444.645 4.661 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1286659280 NGBTUDFRFVZGOL-RBUKOAKNSA-N 443.586 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCOCC1 1286667589 KGIUBRORYXBZQC-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286674193 AIHZAHIYKJAONX-IRLDBZIGSA-N 437.632 4.695 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 1286677168 ZOXZVWNMAYNOTN-MOPGFXCFSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1286684079 DHVYUKBOPWHNBV-UHFFFAOYSA-N 442.608 4.713 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C 1286694815 YHPHCKBJEVWXPB-MRXNPFEDSA-N 433.394 4.986 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)[C@@H](C)CC)C1CC1 1286734729 FYYHISDGFVKFSJ-YCRPNKLZSA-N 433.394 4.660 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CCC2CCOCC2)cc1 1286796407 LXUZNSHBBKGRLI-UHFFFAOYSA-N 426.605 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(CC)s1 1300273717 GYHLFKZHBJYQMT-ZWKOTPCHSA-N 438.597 4.947 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC1CC(OC(C)(C)C)C1 1300317503 RYECSUJKPBXIOQ-LWEYNCJUSA-N 433.600 4.792 30 10 IJEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1300422730 XXNHSHIHBXMWNP-JOCHJYFZSA-N 429.524 4.639 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1300600924 CARIXQDFRGFVPG-BBTUJRGHSA-N 428.964 4.512 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccsc1 1300999797 GSBQYVGGVMSDEL-HXUWFJFHSA-N 442.560 4.992 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2=CCCCC2)CC1 1301112490 XIHCMHHDXYOCDE-UHFFFAOYSA-N 438.572 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(CC)s1 1301357055 IEBDCZMAWXCFPX-UHFFFAOYSA-N 447.593 4.533 30 10 IJEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC(c3ccsc3)CC2)cc1 1301528600 CZGAHJVGQLSYGY-UHFFFAOYSA-N 438.597 4.873 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccsc2Br)C1 1301556441 HNYJFCGETRSBHR-HNNXBMFYSA-N 439.423 4.520 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)n2)c1 1307100591 CHCIMVLIZDVHQE-INIZCTEOSA-N 425.414 4.850 30 10 IJEE N#Cc1ccc(Br)c(OCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1 1307382717 DJVRHSUHUREWCY-UHFFFAOYSA-N 447.638 4.948 30 10 IJEE C[C@@H]1[C@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 1310763897 GXTXVZOKJDVENY-CRAIPNDOSA-N 430.549 4.645 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](c2ccc(OC)cc2)C1 1310864445 XPGBMDBXHKZKIZ-FQEVSTJZSA-N 447.329 4.628 30 10 IJEE C#C[C@H](NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1312936338 HFOVYUYHBUFPLS-ZWKOTPCHSA-N 429.706 4.883 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@H](C)[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 1350085159 ITTDWDBSNZMCRX-UGKGYDQZSA-N 437.536 4.761 30 10 IJEE C=CC[C@]1(C(=O)N(CCOC)Cc2ccc(C)cc2C)CCCN1C(=O)OC(C)(C)C 1354365997 ZCWUJKGTFFMTJG-RUZDIDTESA-N 430.589 4.624 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C)[C@H](OC)C1 1358916493 MXHADRPTQBMYLQ-XUZZJYLKSA-N 438.616 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCCOC(C)C 1359066477 CFMFKTBQPVZFCV-JOCHJYFZSA-N 445.405 4.905 30 10 IJEE C=C(Cn1c(-c2cccc(C)n2)nnc1N1CCC=C(Br)C1)c1ccccc1 1359139646 ZRWDLAWKQIEORG-UHFFFAOYSA-N 436.357 4.851 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccnc(SCC)c2)CC1 1359175395 KBVJHYZEWZTMEO-UHFFFAOYSA-N 435.597 4.911 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359210780 HIDBNWNBWGMGJR-MRXNPFEDSA-N 444.942 4.854 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CCN1CCCCCC1)C1CC1 1359253888 YBFSZKZBMIQURU-UHFFFAOYSA-N 425.646 4.910 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC(C)CC1 1359260231 XKWWJTDATZDENS-FQEVSTJZSA-N 436.579 4.725 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C)c1 1359287379 ZTAIKAYSPSVIGZ-HXUWFJFHSA-N 425.577 4.523 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(C)CC2)C1 1359315008 MNTZOLSCUDBMRM-INIZCTEOSA-N 449.368 4.818 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)CCCN1C(=O)OC(C)(C)C 1435115152 BZYXTFGGEPFQQC-RUZDIDTESA-N 435.524 4.914 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(OCc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1438199508 RHIBGCYQXJOPMP-AREMUKBSSA-N 434.536 4.997 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)C1CC1 1442318365 CTLIKIIZNCJSCT-HSZRJFAPSA-N 449.938 4.551 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cnn(-c2cccc(F)c2)c1CCC 1446761714 WXPQNDOOKNOTQA-UHFFFAOYSA-N 445.498 4.967 30 10 IJEE C#CCN(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C1CSC1 1460377387 UIHVVLYKDVCHEP-UHFFFAOYSA-N 438.394 4.852 30 10 IJEE C=C(CCC(=O)OC)C(=O)Nc1nc2cc(Br)ccc2n1-c1ccc(C)cc1 1465404010 UDTIFVNPFMMORV-UHFFFAOYSA-N 442.313 4.544 30 10 IJEE Cc1ccc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)c(O[C@H](C)CC(C)C)c1 1469389518 HEYUALDBKMJIAC-LJQANCHMSA-N 440.613 4.773 30 10 IJEE C#CCN(Cc1ccc(Cl)c(Br)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1473796919 KZBPMGFJGLOLQH-UHFFFAOYSA-N 441.797 4.937 30 10 IJEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1496057093 CVQXNPOAQDWMAC-PTLVVNQVSA-N 439.604 4.662 30 10 IJEE CCc1nc(C)c(Cn2c([C@H](C)CC)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)o1 1498259926 CZDNLUIDZLIYSA-QGZVFWFLSA-N 448.571 4.618 30 10 IJEE CN(CCOC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1(c2ccccn2)CCC1 1503625408 HBSJLLDHTUISCR-UHFFFAOYSA-N 444.583 4.585 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCO[C@H]1CCCC[C@H]1C 1507606629 SGRVCWXVRHKHHC-QUCCMNQESA-N 426.630 4.940 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)c1ncc(C)s1 1507606874 AFAWGWODQRGLLK-AWEZNQCLSA-N 444.402 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(OC)C1 1507807021 QAUITXWICNFJMO-KWNHSTDBSA-N 438.616 4.807 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1507837160 JRTXOSHGURDBGX-RDJZCZTQSA-N 436.398 4.643 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](CCC)C1 1507839985 WVBQUJSUTREEBP-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1507911627 NQSPSWQLWJSBBU-INIZCTEOSA-N 446.979 4.599 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCSC1 1507929477 RAQXPQONXAOGAK-HSZRJFAPSA-N 426.586 4.742 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1507947506 GMXGGIUAZCBGLT-IBGZPJMESA-N 431.378 4.852 30 10 IJEE C=CCN(c1nnc([C@@H](C)CC)n1CCc1ccc(OC)c(Br)c1)C1CC1 1507991897 WPOOUZCSUIHAEP-HNNXBMFYSA-N 433.394 4.960 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2cc(Cl)ccc2C1 1508067826 QVLQWCJQSNYNQK-IBGZPJMESA-N 443.979 4.752 30 10 IJEE CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H]2C)on1 1513304120 IFRNQBYTEBYPAG-MSOLQXFVSA-N 448.571 4.903 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(SCCCC)c(C(F)(F)F)c2)c1 1517117339 OPJSSOVJCVZLOO-UHFFFAOYSA-N 434.483 4.947 30 10 IJEE C=CC[C@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 1521366792 QKQOIFPQLFRRKA-FQEVSTJZSA-N 427.547 4.839 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1ccc(OCC(F)(F)F)nc1 1523803414 PNNQOFYDXGIEOK-UHFFFAOYSA-N 435.320 4.963 30 10 IJEE N#Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)ccc1Br 1526374258 DSCFZSVNEGHWRS-UHFFFAOYSA-N 439.235 4.587 30 10 IJEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(Br)c(C#N)c1 1527158238 FQCGLYXJBNRAIP-MRXNPFEDSA-N 438.366 4.835 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2CCCC)C1 1534784489 ILWCVYAGRMYRNZ-MRXNPFEDSA-N 441.519 4.751 30 10 IJEE C#CCN(C(=O)c1ccc(-c2ccccn2)nc1)[C@@H]1CCOc2ccc(Br)cc21 1538199454 SZRCMFYCHCWAQO-OAQYLSRUSA-N 448.320 4.505 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539052941 KGHGOGCHHMURJS-DEOSSOPVSA-N 447.627 4.605 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(C)CCCC1 1539319596 CDQHICOYDXDAJU-UHFFFAOYSA-N 434.584 4.786 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC1C[C@H](C)O[C@@H](C)C1 1539389901 GCZWUGGTOKZKEB-PMACEKPBSA-N 447.558 4.631 30 10 IJEE Cc1cc(C)c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Br 1539528829 FXOZAJBLAFQOCR-UHFFFAOYSA-N 431.305 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1OCCC 1539558873 ORXLBOFASCSIMV-RUZDIDTESA-N 449.986 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCCN1CCC[C@@H](C)C1 1539566040 CHSUNTTZAFDPOT-YIXXDRMTSA-N 449.643 4.670 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC(F)(F)C1 1539566042 CHZWHYOGTBGXDM-WMZHIEFXSA-N 428.527 4.901 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2ccccc2Br)nnc1C(C)(C)C 1539642135 PDLGSYYUDQRFQB-PKOBYXMFSA-N 447.421 4.956 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(C)CCOCC1 1539655461 MKYHMUKCIOTGRD-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)c1cccs1 1539676010 HIYYJWFPYUJBGV-HSZRJFAPSA-N 426.586 4.537 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539751536 PAENLSRQZOTVAJ-JOCHJYFZSA-N 438.616 4.631 30 10 IJEE C=C(Cl)Cn1c(N2CCc3sccc3[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1539820775 QRMZLESHESNBOQ-UTKZUKDTSA-N 437.009 4.647 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1539905661 DOMFVNWPUMAAAR-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)=O)CC1 1539909715 PNWZNMLXMTXYGO-UHFFFAOYSA-N 437.632 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3ccccc3CC2)nnc1[C@]1(OC(C)C)CCOC1 1539931355 KJDNCZTZHHICMM-SANMLTNESA-N 438.616 4.526 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1nc2c(s1)CCCC2 1540048468 VVPUHJAIXPIPOA-MRXNPFEDSA-N 441.576 4.757 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(CN3CCCC3)cc2)s1 1540473620 LWCGAFJLHGDUCJ-UHFFFAOYSA-N 436.046 4.751 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(CSC)cc2)C1 1540893603 GYQPJYAVKQGHPL-OAQYLSRUSA-N 440.638 4.623 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1540915150 HLQJANDNCBBIES-HXUWFJFHSA-N 434.556 4.886 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC(C)(F)F 1541799492 GNMFRZUXAUOHCN-MRXNPFEDSA-N 429.471 4.901 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C 1545044888 CWCZXWUENMTJRI-GOSISDBHSA-N 433.552 4.741 30 10 IJEE COCCC1(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCCCC1 1555438819 ABLBVAKXMJYKJJ-REWPJTCUSA-N 429.609 4.637 30 10 IJEE C=C[C@@H](CC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1ccccc1 1556857926 NRRGRGQNYWUROY-PXNSSMCTSA-N 425.878 4.994 30 10 IJEE C=C(C)[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1559766202 BUVZULPUBYFXFT-KRWDZBQOSA-N 444.219 4.885 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](COc1ccccc1)c1ccccc1 1561236013 CALFMANQATZQKA-FQEVSTJZSA-N 446.450 4.676 30 10 IJEE N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1583716734 FHRPQWBLOAYMLQ-LJQANCHMSA-N 437.421 4.717 30 10 IJEE C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1583777403 BBVVWAYNIGMIRS-INIZCTEOSA-N 431.467 4.722 30 10 IJEE COc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(OC)c1OC 1585707736 GSBUOPDWSVJWJU-UHFFFAOYSA-N 432.476 4.948 30 10 IJEE C#CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)C[C@H](C)C2 1585813980 WYQORUIFBCGNLE-PMIVHWTLSA-N 435.527 4.965 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[C@H]1C[C@H](F)C1 1588104858 AYOONPHHMDGBDW-KOMQPUFPSA-N 449.755 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1589164591 VTPYIRMCQFJSAQ-AXHZCLLHSA-N 426.008 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](OC)C1CC1 1589242436 AFAVYOGKLVWZPR-SIKLNZKXSA-N 449.382 4.581 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2nc(C)cc2C)CC1 1594438572 VPQGTILEFNAGMB-FGZHOGPDSA-N 440.636 4.503 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1594545558 UMAPRLKJMRIQQU-XMMPIXPASA-N 430.600 4.621 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc2ccccc2s1 1594551970 DCYGRIUFYPVEFL-UHFFFAOYSA-N 437.613 4.960 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCOC1CCCC1 1594885242 BQTGHBWMKFWCOC-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)c1nccs1 1594997733 LZTYHZZRPNQAOU-AWEZNQCLSA-N 448.390 4.502 30 10 IJEE C#CCN(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)[C@H]1CCCc2ccccc21 1611222471 BUUSUDHSDRJDCA-IBGZPJMESA-N 425.410 4.908 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2cnc3sc(C(=O)OCC)c(C)c3c2)CCCC1(C)C 1622084313 UYMXYWQFESRJMI-KRWDZBQOSA-N 436.599 4.537 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)C#N 1624962720 GMXPHPLYLRXXMB-HSZRJFAPSA-N 431.536 4.526 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC[C@@H](c4ccc(Cl)cc4)C3)ccc2c1=O 1626505110 IKCIQPHGPSLGEP-CRAIPNDOSA-N 439.968 4.591 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1 1627292288 VHANLTYWAXNZPF-UHFFFAOYSA-N 430.593 4.691 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CC(C)(C)CC(C)=O)c1ccc2c(c1)OCCO2 1627421546 SYRUIARDSYUPSQ-UHFFFAOYSA-N 437.536 4.951 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 1629302006 MKMLVPHDCCMSHF-OALUTQOASA-N 436.980 4.619 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1NC(C)=O 1631189599 FRDQBSSQSNUMQA-HNNXBMFYSA-N 449.857 4.638 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 1632272738 APMUGQJDHRIDAN-CYBMUJFWSA-N 443.356 4.833 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc2[nH]c(O)nc2c1)c1ccc(C)c(C)c1 1633066977 XSZGIWVCBOUCHH-UHFFFAOYSA-N 428.492 4.692 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCC1(C)C 1634322021 UWYADEKUNJFIAK-OAQYLSRUSA-N 448.535 4.973 30 10 IJEE CC(C)(C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1)C(N)=O 1637013953 GZRSXSWGTSZQAS-INIZCTEOSA-N 439.943 4.758 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540582 UTWXLFPRGFRCBV-ZMSDIMECSA-N 445.654 4.556 30 10 IJEE CC(C)N(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cc(Br)ccc1F 1652369382 GDVWVOSZSOUEAW-UHFFFAOYSA-N 438.728 4.962 30 10 IJEE COc1ccccc1CN(CCCOc1cccc(C#N)c1)c1ccc2nc(O)[nH]c2c1 1653643729 ZYWVMYCIHUTJNF-UHFFFAOYSA-N 428.492 4.624 30 10 IJEE C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(Cl)cc1 1654150742 HVYXBFPZLRRUDR-ONUMYQOESA-N 439.762 4.650 30 10 IJEE C[C@@H](Cc1c(Cl)cccc1Cl)NS(=O)(=O)c1ccc(C#N)c(Br)c1 1654812895 ANFHOWXCCKQCIQ-JTQLQIEISA-N 448.169 4.537 30 10 IJEE C=CCn1c(SCCCC(=O)NCCC)nc2scc(-c3ccccc3)c2c1=O 1656066571 DNSJNRIZLLQKFM-UHFFFAOYSA-N 427.595 4.710 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 1659604531 NXVIZTHUQNNLMI-LJQANCHMSA-N 441.261 4.889 30 10 IJEE C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(OCc2ccc(F)cc2)cc1 1661951179 GSMIAHAOCLDHHT-OAHLLOKOSA-N 444.915 4.969 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)[C@H]1CCCO1 1666426412 FBVKPEPXIWXTEN-AZUAARDMSA-N 445.441 4.568 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(Br)ccc1OCCC 1666878930 QWBMQCFJEMMQRJ-UHFFFAOYSA-N 438.387 4.657 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 1668489711 HHKBSCUYBIOEPH-FXAWDEMLSA-N 433.371 4.559 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCCc3ccccc3OC(F)F)c2)s1 1669370285 FRTAMJPLZBGRHY-UHFFFAOYSA-N 427.476 4.930 30 10 IJEE O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)N1CC(F)(F)OC(F)(F)C1 1669834231 FHZJCCWHHYAGDZ-UHFFFAOYSA-N 445.118 4.984 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](CC1CCCC1)C(=O)OC 1672214477 PNYQUYDYHJUTKS-HNNXBMFYSA-N 439.350 4.505 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 1673275705 FVKJCDMIZIGGAT-SZOBAZRNSA-N 434.540 4.929 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccc(F)cc1 1674014604 DBWMPJHREKBVGQ-XMSQKQJNSA-N 438.547 4.985 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)cc21 1675096020 VZDQVJLZTGZOFK-QGZVFWFLSA-N 438.837 4.750 30 10 IJEE CC#CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675723770 LYMYQNNELAPEMK-APWZRJJASA-N 444.362 4.680 30 10 IJEE COc1cccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2)c1 1676876048 GUWSCFGSELYGID-CYFREDJKSA-N 440.547 4.873 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 1678356490 XGJYTZWSQXBURB-AEFFLSMTSA-N 435.362 4.827 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)[C@@H]1CCCO1 1678956368 CLWRCGLVMLVHDP-HBMCJLEFSA-N 435.326 4.896 30 10 IJEE C=CCCCNC(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 1680813269 QXGHYNWMWQKKBU-UHFFFAOYSA-N 448.430 4.971 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCOC[C@H]1CC1CCOCC1)c1ccc(C(F)(F)F)cc1 1680855817 QMRQTIGKCGXYJQ-NHCUHLMSSA-N 440.506 4.940 30 10 IJEE Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1682100641 DCNPRTCSJFXSMX-HSZRJFAPSA-N 433.512 4.557 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 1686786785 VVBMHMYDFCTDFV-UHFFFAOYSA-N 433.552 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1nccs1 1689835913 UZPQSMWAGZSTSY-PMPSAXMXSA-N 425.627 4.850 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1689923030 IJRGJGRPFGGOTQ-INIZCTEOSA-N 436.357 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC[C@H](OCC)C1CCCC1 1690198466 PAYOFWKOIQPFBW-GBXCKJPGSA-N 442.007 4.971 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690220772 AAOCQFYIIDELSW-CXAGYDPISA-N 437.769 4.511 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 1690229703 DEBSNWKETIGVIE-UHFFFAOYSA-N 431.712 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCCCCC2)nc1 1690262759 MOOWKCQNILUOKR-UHFFFAOYSA-N 445.615 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1690265023 IRYFPGCEGITKSD-BJKOFHAPSA-N 437.632 4.720 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1690412347 MURUSSYAZHRGKB-OFNKIYASSA-N 429.008 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1690422054 BTQNMWKHAWBTJW-UHFFFAOYSA-N 429.572 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1690426609 UCVMEDWZHRAHNP-JOCHJYFZSA-N 436.648 4.891 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(O)(CCC)CCC 1690520250 OSWZWCUKUDZNSS-UHFFFAOYSA-N 439.373 4.800 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccco1 1690571904 NAAHGDAQDRAADB-DEOSSOPVSA-N 426.536 4.699 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CC1(COC)CCC1 1690585815 XAVUBDLGWMHBNJ-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1nc(C(C)C)cs1 1690609100 CYGKUKGCBXHYNZ-LJQANCHMSA-N 427.574 4.586 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C)(C#N)CC2)cc1 1690679318 QMHOKCURMAHGPD-UHFFFAOYSA-N 448.958 4.737 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1705536718 UYSNJOMGLSNAPG-UHFFFAOYSA-N 441.645 4.611 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705608100 DZNIMLWHOJZIMO-WKCHPHFGSA-N 448.567 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCc1ncc(CC)s1 1705677454 PDAWRQIDZRDAAR-RUZDIDTESA-N 449.624 4.728 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccco1 1705709281 NATPLULYGHRVJP-HYBUGGRVSA-N 436.556 4.685 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1705796351 CZCIFJMBMDCURR-HSZRJFAPSA-N 430.600 4.667 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCOc1ccc(Cl)cc1)C1CC1 1705855297 ATAMMRMREWFBCZ-UHFFFAOYSA-N 429.977 4.521 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Br)n1CC(C)(C)O 1705865656 QAZBKSMCTYZTFH-UHFFFAOYSA-N 447.402 4.733 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1Cc1cc(C)on1 1705867572 QGDVFLICWVEZRD-UHFFFAOYSA-N 435.553 4.764 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1sccc1Br 1706135728 ALWLXJZGDGRBIE-LJQANCHMSA-N 436.423 4.869 30 10 IJEE CC(C)(C)CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCCCC2)CC1 1706147642 CTIHTZGUJZEMOK-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1722492903 FQHVGMUJFAMVJN-WMLDXEAASA-N 431.334 4.982 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)Sc2ccccc2)CC1 1722573121 PQYAMUCZYIICGA-GOSISDBHSA-N 441.645 4.780 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCCC2(C)C)CC1 1722579109 KJORHKSKJMQYST-SANMLTNESA-N 438.616 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1722586962 VCFUGRQHHRYFPT-GOSISDBHSA-N 442.608 4.617 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722610410 PYZYIKMLYRSRMT-NFBKMPQASA-N 449.599 4.559 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)[C@H](C)CC 1722659075 OAXODSDSRLZKGY-MZNJEOGPSA-N 426.536 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCn2ccnc21 1722667405 YLSBAFCCRHHLFK-KRWDZBQOSA-N 438.963 4.560 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2ncc(CC)s2)C1 1722715059 MVEFNCUQCBKUQL-GOSISDBHSA-N 444.004 4.641 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2c(C)coc2C)C1 1722720908 CFKPPPRDBAHKDF-FQEVSTJZSA-N 442.947 4.550 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCSc2ccc(C)cc2)C1 1722721999 XXJIIHPNHCPASW-OAQYLSRUSA-N 426.630 4.893 30 10 IJEE C[C@](O)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1)C1CC1 1723960651 CNXZTDYXBJBDHQ-NRFANRHFSA-N 434.371 4.543 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCc2ccccc21 1740536647 KJBLCROATLLPRF-NVXWUHKLSA-N 438.373 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCN1CCCC 1740538271 LEIWGRMNEPGBJV-FGZHOGPDSA-N 444.627 4.914 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(CN(C)C)c1 1740539182 NRFCDRMNOZURHL-OALUTQOASA-N 447.652 4.699 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1740577434 DPDXFKGJKZTPPQ-JOCHJYFZSA-N 446.580 4.639 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1c(C)noc1C 1740663421 IQOSQCMDXWGKOQ-UHFFFAOYSA-N 442.567 4.660 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCCC1 1740728078 LIQZCKRIKKJXIC-YADARESESA-N 426.008 4.713 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1740745284 QVOJKILHAFUYMS-MRXNPFEDSA-N 435.410 4.938 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nnc1C(C)(C)C 1740748316 DIZRYWLLIZQWAW-HNNXBMFYSA-N 443.393 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[C@@H](COCc2ccccc2)C1 1740760153 GYARZEGUDXJLIS-CUYJMHBOSA-N 438.616 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)C1CCCCC1 1740771803 MOYKWWHLZSXDNU-AREMUKBSSA-N 448.615 4.865 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CCC 1740794627 FHXMKUGFCYJKHE-PMACEKPBSA-N 449.640 4.610 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2ccsc2)CC1 1740842905 PWYDFYIJCWGNFX-YOSAUDMPSA-N 444.645 4.568 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740843905 SLOLPPABZIVNAU-SFHVURJKSA-N 426.565 4.629 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC(C)(C)C1 1740889592 PVDBRWTYNADSIF-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CCC)C1 1740921432 UDBRKZSEPSWZGK-REWPJTCUSA-N 441.595 4.583 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](C)[C@@H]1C 1741001054 JWPOYOJEFACRME-DLBZAZTESA-N 441.626 4.850 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Br)cs1 1748756040 HLOKGYHMOKDDAP-UHFFFAOYSA-N 447.377 4.882 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1749024454 QUKCFUAIQASMQA-VQIMIIECSA-N 432.540 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)C1CCCCC1 1749056365 FZJPIIAFJUVFQH-DNQXCXABSA-N 426.992 4.922 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](COCC)C1 1749120827 HVWHMCNOVBOPKL-CBQOVEMMSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCc1nccs1 1749122180 SRHWHKKHCFIRID-IRLDBZIGSA-N 437.613 4.624 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOCCC(C)C)CC1 1749285562 OPJWHPPUAUHTJV-UHFFFAOYSA-N 439.604 4.756 30 10 IJEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[C@H](OC)C(CC)CC)CC1 1749303412 JUHPURDCFHPABO-REWPJTCUSA-N 440.588 4.788 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1749370321 GVLREUNVGMHKEF-QFIPXVFZSA-N 432.616 4.897 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 1749412043 JDIBRHFEDHPSQM-SFHVURJKSA-N 446.592 4.626 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCNC(=O)OC(C)(C)C)C1CC1 1749511474 JGVUUEXJNNIOSB-UHFFFAOYSA-N 449.958 4.807 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1749520899 DDWWHNLRHVVFLN-IBGZPJMESA-N 425.596 4.673 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1749574627 ANNYRXKCAOPJRG-RTBURBONSA-N 438.469 4.972 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1749642482 IZVQUWKELDLNOH-QGZVFWFLSA-N 427.549 4.640 30 10 IJEE Cc1ccoc1Cn1c(-c2ccc(Br)s2)nnc1N(CCC#N)CC1CC1 1751363332 AXDNEGHHFPPIRE-UHFFFAOYSA-N 446.374 4.849 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCN1CCC 1760101255 LRCKAJYIYLDFCU-LEWJYISDSA-N 430.600 4.524 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760130868 NBXKAVHNNCMLPB-PKTZIBPZSA-N 429.568 4.676 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccc(Cl)cc1 1760173095 JMHMEGCLZAOTDN-INIZCTEOSA-N 441.000 4.933 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1ncc(C)s1 1760196627 KKGSYLBTYFXBOM-QGZVFWFLSA-N 449.649 4.917 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1760306625 GXJPAZDYKLLPEG-OAHLLOKOSA-N 436.423 4.857 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)CC1 1760397346 QZBMMAMELIQPME-HNNXBMFYSA-N 446.477 4.600 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1760404509 CIZUNFDJKPTWNE-IEBWSBKVSA-N 430.980 4.728 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1760429005 NQZCQRYSEADAKG-IEBWSBKVSA-N 445.633 4.636 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1OC 1760449341 HNMVTGXLDCAWNE-JOCHJYFZSA-N 433.556 4.591 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC(CC(F)(F)F)CC1 1760451897 XNYRQQUKEYHVBH-UHFFFAOYSA-N 436.522 4.939 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1csc([C@H](C)OC)n1 1760468260 NLKNINSBWDFECU-INIZCTEOSA-N 429.615 4.713 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(C)C)C1CC1 1760475294 BLLVDNPKTSIZCV-JTSKRJEESA-N 430.980 4.726 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCc1sccc1C 1760499213 ROJTZJWEJDYISV-UHFFFAOYSA-N 432.597 4.526 30 10 IJEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)N1CCC[C@@H](C)C1 1762822745 HPVXFNXMORZSFI-YOEKFXIASA-N 434.632 4.952 30 10 IJEE CN(C)c1ccc(/C=C2/SC(=NN=Cc3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 1772758144 PHMNNETYGPUWHH-HWVQBVCISA-N 446.532 4.558 30 10 IJEE Cc1csc2nc(Cl)c(/C=N/NC(=S)NC(c3ccccc3)c3ccccc3)n12 1860498420 WEHMLLMTBCLYNZ-FSJBWODESA-N 439.997 4.945 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 1860862894 PGQVAHCNGNPTNZ-QHCPKHFHSA-N 438.531 4.661 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC)c1 1861067154 RHXRULZXJBCGCU-QFIPXVFZSA-N 440.584 4.522 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862384520 TZEIXWCDSLPDAL-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(N(C)C)cc1 1862459263 GGBHNLVIIVKXAR-OAQYLSRUSA-N 446.469 4.938 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C(=O)O)cc1 1862478070 YGCKVKGFWKFPPK-FQEVSTJZSA-N 433.485 4.533 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCC)cc1 1862533248 JXDNXOKAINOAAK-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590633 MHKPPEWWEVWVKS-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862596072 FRHISBSHWQVKQB-HSZRJFAPSA-N 429.472 4.569 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862624042 YQMBFQOCXSQMDX-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862628052 UPKGAJWAWAMTJG-BIFSNJIPSA-N 449.503 4.581 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862666653 JDJMTKVPEDOAOD-QFIPXVFZSA-N 435.520 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 1862682584 PYCLYGXHZFCOQH-JOCHJYFZSA-N 437.467 4.508 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(Cl)c2)c1 1862700889 QWLDXEXCSFPMBC-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC(C)C)cc1 1862740341 QUPZXUOFJWLHPU-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862744934 XYMUHBSWGUCTSG-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE CCCOc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862927176 KYSVXQCXPZGFPV-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2Br)=C(c2ccc(OCC)cc2)C1=O 1863216307 GDJJCKJYVRADSD-UHFFFAOYSA-N 441.325 4.534 30 10 IJEE C=CCN1C(=O)C(N[C@H]2CCCC[C@@H]2C)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706909 RCZCFGCXLLCZOI-CVDCTZTESA-N 430.548 4.700 30 10 IJEE Cc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCC(c4ncncn4)CC3)n2)cc1 1868312987 UAPKJHOLBWNGOZ-UHFFFAOYSA-N 448.534 4.636 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)n(-c2ccccc2)n1 1870001356 AXEOYGUJYBEXTB-FQEVSTJZSA-N 445.567 4.975 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2cc(C)ccc2C)cc1=O 1870838703 PTCKJJCDJZICCI-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)C1 1871356007 QFNBNAWHORZGPC-MTJSOVHGSA-N 426.944 4.758 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871444257 VRFDEUZMXAZBHC-OYKKKHCWSA-N 443.499 4.623 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccnc2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871502533 QQZGPJHKSBZPGK-UHFFFAOYSA-N 429.572 4.565 30 10 IJEE C=CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2c(N3CCCCC3)ncnc21 1873561919 FVVUSPYZLKXZTK-UHFFFAOYSA-N 443.595 4.703 30 10 IJEE CCCCCCCCNC(=O)CCC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc2[nH]ccc12 1873891722 KPLSFGOSRRRYQB-SANMLTNESA-N 449.599 4.622 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(O)cc1 1874219767 CQBNFEBNDKHUKD-BUVRLJJBSA-N 438.553 4.554 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874327763 ZRWWVSIUKPDROU-FSJBWODESA-N 437.525 4.933 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cccc(OCCC)c1 1874479768 PXIYHXZWIPMEPM-OEAKJJBVSA-N 432.590 4.583 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cc(C)ccc2O)c1 1874482380 CBYVMCYHHVRJCS-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE COc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1O 1874522854 OIZFGGGJLYKGGN-AUEPDCJTSA-N 432.908 4.837 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccccc2OC(C)C)c1C 1874530124 SFYPTUIVFQEDQV-ZMOGYAJESA-N 437.569 4.604 30 10 IJEE Cc1cccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874581684 ALSAQHXRIGIAQF-PKNBQFBNSA-N 429.472 4.680 30 10 IJEE COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc2c(c1)OCO2 1874582860 KJDWBVVMEBHVDW-DUXPYHPUSA-N 440.087 4.845 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OC 1874608016 SJCYCWBOBQNNQX-DHZHZOJOSA-N 439.552 4.936 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874698242 NCLJPPKYDKNGHX-XNTDXEJSSA-N 447.443 4.874 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c(OCC)c2)cc1 1875138955 KLSIMIBKCYXCOO-VZUCSPMQSA-N 432.476 4.779 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC(C)(C)N(c2ccc(C#N)c(Br)c2F)C1 1878988366 XEDCAOLWTLUCST-ZDUSSCGKSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(C#N)N(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 1943919769 WVMGIEVDEHETTO-YZZKKUAISA-N 437.581 4.522 30 10 IJEE N#Cc1cc(F)cc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1962350733 GIWOGQMGGAPUCH-UHFFFAOYSA-N 431.467 4.970 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)CC#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2032520816 RWGUPGQAFHFXGR-DEOSSOPVSA-N 439.644 4.847 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)c1ccc(C#N)c(Br)c1F 2118150957 KHNXXXRENVKBQS-GXTWGEPZSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132678251 SKTBYTFVKFVKOX-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE N#Cc1cc(Br)cc(N[C@@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)c1 2156296690 QCWHCTICBVKIAB-FCHUYYIVSA-N 426.358 4.556 30 10 IJEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)c(Br)c1 2156351064 CVQOXTRAMBLMNR-LJQANCHMSA-N 426.358 4.556 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)c(C#N)cc1F 2174809409 ZMVDZCZPINDODE-QDMKHBRRSA-N 438.341 4.827 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1cc(Br)c(C#N)cc1F 2174816031 ZGTBFVCXRMOVPQ-IRXDYDNUSA-N 438.341 4.828 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C#Cc1ccccc1Br 2235745935 XABBCQUZVXGGDB-PGRDOPGGSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)cc1 2254744421 RICGCXAKDYWQBP-UHFFFAOYSA-N 430.285 4.659 30 10 IJEE CC#CC[C@@H](COc1nc2ccc(Br)cc2s1)NC(=O)OC(C)(C)C 2264301316 IRXYBKBYAAZRNM-ZDUSSCGKSA-N 425.348 4.744 30 10 IJEE CC(C)(C)OC(=O)NC1(c2cccc(NC(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)c2)CC1 2267581252 OYUKUNWBZLMLHM-ROUUACIJSA-N 442.365 4.621 30 10 IJEE N[C@@H](C#Cc1cccc(Br)c1)c1ccc(Cl)c(I)c1 2278737706 NRPJVCBMGHIUON-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(N)C#Cc2ccc(Br)cc2)C1 2296220278 WLSMOLOXTXNBNS-JUXOCIIHSA-N 433.390 4.555 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2296222148 PFQFWLHNWYIVKV-RTBURBONSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(O)C#Cc1ccc(Br)cc1 2296271565 FYFSLIIUHBACSR-VFXZUJCTSA-N 434.374 4.635 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC=CCC1 2296274700 VUDCOAQCUTTWJS-DFQSSKMNSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](C(=O)C#Cc2ccc(Br)cc2)CC1 2296276896 MVZZNJPQQIPSPC-NBEIKUQISA-N 438.337 4.793 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2296278748 HLKQKNSMVGZOIJ-OALUTQOASA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](O)C#Cc2ccc(Br)cc2)C12CCCC2 2296290803 HRQFNYHOMXXTMH-RTBURBONSA-N 434.374 4.731 30 10 IJEE Cc1ccc(C=C2N=C(c3cc(I)ccc3Cl)SC2=O)o1 2296737781 QBOACJKCBDMOEX-UHFFFAOYSA-N 429.666 4.907 30 10 IJEE COc1cc(OC)c(C=CC(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2O)c(OC)c1 2297628331 ZKNJYUVMPHFUBW-UHFFFAOYSA-N 442.508 4.840 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1 2297740932 OIUVGBDUWFNQEL-XMMPIXPASA-N 443.499 4.937 30 10 IJEE O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccccc1 2297746827 HIPLPTPOMQSXJU-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1ccccc1C 2321911894 RGNOMFPBJTUJKT-UHFFFAOYSA-N 434.521 4.995 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 2322192784 UCDYMATUWUPMNL-UHFFFAOYSA-N 427.435 4.670 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cc1OC 2322203201 NKCXHMMSKWYEPW-UHFFFAOYSA-N 432.549 4.795 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CCCOc2ccccc2Cl)ccc1OC 2322234895 WQLUVGLJDAARHO-UHFFFAOYSA-N 446.960 4.521 30 10 IJEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCN(CC)CC)C4)C2=O)cc1 2322408290 IUMXERMJZQJUCZ-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE Cc1c(OC(=O)N2CCOCC2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2322833092 IXRRBLVCQKMURU-UHFFFAOYSA-N 434.275 4.749 30 10 IJEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(C)cc(C)c1OC 2322847227 AJSOMZVOASWBRD-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccccc2)cc1Br)Nc1nccs1 2323809248 QCILLPJNMGQTSB-UHFFFAOYSA-N 443.322 4.819 30 10 IJEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 2324035247 PTNQBPRUIIODLU-LJQANCHMSA-N 443.499 4.610 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)Nc1ccc(F)c(F)c1F 2325530277 FGOWXOHMACCPJQ-UHFFFAOYSA-N 443.352 4.877 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nncn2N=Cc2ccc(OCc3ccccc3)cc2)cc1 2325649451 NRYFLRVBILSYLD-UHFFFAOYSA-N 445.504 4.940 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccccc3OC)c2)cc1OC 2325723918 CUPLXOGJZITBTO-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CN(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2325727616 HGQCMPWHNRVFCK-UHFFFAOYSA-N 432.451 4.525 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccccn1 2325732186 GLTSYFLZSHHTDE-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OC)c(OC(=O)C(F)(F)F)c2)c(OC)cc1Cl 2325758475 WLGNYGQTYZVKBK-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE Cc1ccccc1C=Nn1c(CCCOc2ccc3ccccc3c2)nnc1SCCO 2325884660 ZLMAWIMZZFUUJG-UHFFFAOYSA-N 446.576 4.718 30 10 IJEE Cc1ccc(CSc2nnc(COc3cc(F)ccc3F)n2N=Cc2ccc[nH]2)cc1 2327422420 PHVFUNPHKFFKSA-UHFFFAOYSA-N 439.491 4.946 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)C=Cc1ccc(C)cc1 2328563485 JVUXMNADANTIPZ-DEOSSOPVSA-N 434.605 4.627 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2329039386 XVDNXDWSGFBFSX-SFHVURJKSA-N 427.618 4.684 30 10 IJEE CCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)c1 2330899627 HHQSMZDLCGLZIZ-FQEVSTJZSA-N 426.517 4.842 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 2330953265 JGKVTFIBOWRIRF-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2-c2ccco2)cc1 2331224549 IVRKTWCDOCUJPE-UHFFFAOYSA-N 442.541 4.500 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccccc1O 2331352332 IXIMSOVZSJNXNL-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE CCSc1nnc(C(C)(C)C)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331388972 BTIKNNARBNZQBC-UHFFFAOYSA-N 438.553 4.798 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339603717 FDHBVOLDDPPSKC-QHKCDQCESA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339606859 WRMSPFPNXINQJY-PGCWRHLGSA-N 441.381 4.538 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](COc1cc(Br)cnc1C#N)c1ccccc1 2360274083 MGGWWFCYJFYBHZ-QGZVFWFLSA-N 432.318 4.703 30 10 IJEE C=C1CC(C[C@@H](OCCC(=O)O)c2sc(Cl)cc2I)C1 2366703408 CEFVBWZAPQPKKD-LLVKDONJSA-N 426.703 4.895 30 10 IJEE COCCCCN(Cc1ccccc1)Cc1ccc(C#CCCO)c(Br)c1 2377349021 AQOKEXNTRJGODP-UHFFFAOYSA-N 430.386 4.612 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@@H]2c1ccccc1O 17098061 GJDBEBFXAOFUKK-OAQYLSRUSA-N 432.549 4.934 30 10 IJEE COc1cc(-c2[nH]c(=S)[nH]c(=O)c2C#N)ccc1OCc1c(Cl)cccc1Cl 19651558 XAPFYYNQVMCGBP-UHFFFAOYSA-N 434.304 4.866 30 10 IJEE C=CCOc1ccc(Cl)cc1/C=C1\C(=N)N2N=C(c3cccs3)SC2=NC1=O 33448183 HOFLFCOCSHRQEF-CAVDFQQASA-N 428.926 4.634 30 10 IJEE COc1cc([C@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1ccc(C)cc1 35531283 OYABYFKUCKZELG-QFBILLFUSA-N 427.547 4.797 30 10 IJEE CCCCCn1c(O)c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O 40522557 XLIHEZMTYVEIEL-CYBMUJFWSA-N 437.323 4.881 30 10 IJEE Cc1nc(-c2cccc(NC(=O)CNc3ccc(OCC(F)(F)F)c(C#N)c3)c2)cs1 108365156 MNKNKYUXUSHLOZ-UHFFFAOYSA-N 446.454 4.982 30 10 IJEE O=C1C=Cc2ccccc2/C1=N\Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1 136983098 AULACELNXWKQIV-NNRWMFKNSA-N 432.461 4.761 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2CCc2ccccc2)ccc1OCc1ccccc1 169911197 ABKQQKDJGDBPLK-ONUIUJJFSA-N 444.560 4.822 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OC(=O)c3ccco3)c2)NC(=S)N1C 169934932 YUGXZXLLFBCXLA-OAQYLSRUSA-N 432.501 4.517 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)ccc1F 169964515 ZKLXPJXKLPWXAG-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccc(C)c2)cc1 169973262 PQUOABKBCYXMBM-QFIPXVFZSA-N 439.471 4.663 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccn1 169994602 ZMYXOOUZRXFPLP-NRFANRHFSA-N 448.862 4.555 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2cccnc2)cc1 170006731 MZFFVTWPIPBXEY-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2F)cc1 170072823 MIIBFXXTAFXSTO-OAQYLSRUSA-N 427.435 4.793 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1 170102922 XTGFWAGGIOQFTB-QHCPKHFHSA-N 449.478 4.947 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1O 170110777 VULZJVADQQKGRZ-JOCHJYFZSA-N 445.427 4.519 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 170130143 PCXTZGVMJCVVPO-OAQYLSRUSA-N 430.485 4.714 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccs2)cc1C(C)C 170154975 MSRQINJLPOBZIG-OAQYLSRUSA-N 443.565 4.883 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1cccs1 170155201 MDWADZCAYSTETO-GOSISDBHSA-N 449.956 4.722 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccn1 170168958 LIKGDWDILVKLSL-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccccc3)ccc2O1 170222876 YJDHWLHTXKFZFR-WNSKOXEYSA-N 429.447 4.932 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170258010 LRSIIVBPARFUMJ-QFIPXVFZSA-N 428.419 4.796 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCN(C)C)cc1 170267245 NFEWKCMXBOWFCI-RUZDIDTESA-N 442.559 4.932 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2C)cc1C(C)C 170270078 ZJALAIAPJRVVIZ-QHCPKHFHSA-N 437.536 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccn1)c1cccs1 170350860 JYYKTMRILFONBR-QGZVFWFLSA-N 446.406 4.825 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1c[nH]c2ccccc12 170423041 SFAAXTMCPSZZIE-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]2CCCC[C@H]21 230132200 CBQADHRYCMWRCD-DBVUQKKJSA-N 437.565 4.657 30 10 IJEE CCn1nc(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)c2ccccc2c1=O 254351448 MHHAFLVGNRCYCT-UHFFFAOYSA-N 434.565 4.807 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(O)\C=C/c1ccccc1 254407520 DXRNOFPZWAOQQM-PFQBGXJPSA-N 426.428 4.777 30 10 IJEE Cc1cc(C)cc(NC(=O)c2c(N)n(N=Cc3ccccc3)c3nc4ccccc4nc23)c1 254508366 LBNVDAXSWXPGLY-UHFFFAOYSA-N 434.503 4.918 30 10 IJEE N#C[C@H](CNc1ccc(Br)c(I)c1)c1ccccc1 311612470 FRQGQXQPVVDNCB-GFCCVEGCSA-N 427.083 4.773 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(Oc2cnccn2)CC1)c1ccc(C(F)(F)F)cc1 425928574 YOKRRCNUKLOETH-LJQANCHMSA-N 434.462 4.756 30 10 IJEE C=CCN(C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nc(C(=O)OCC)cs1 429854156 WDAYWLPVXLGKPD-UHFFFAOYSA-N 425.485 4.717 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 446121974 JVOJMVKURLKWSX-LJQANCHMSA-N 429.402 4.818 30 10 IJEE C=C(C)C[S@](=O)CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 526884092 ILMBLKDOQALGIB-MHZLTWQESA-N 425.959 4.509 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)CC1 554915844 BIIFPPCGOHOMQX-RVHGLCJRSA-N 445.051 4.594 30 10 IJEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(OC)c(OC)c2)cc1 586240249 RKRPKDSISBLYSO-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE CCOC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1CCCCCC1 708725762 JPVWLGRDSJSHJH-HSZRJFAPSA-N 439.597 4.770 30 10 IJEE C=CCn1c(-c2ccco2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932478 LDWIVXPTBUBXFX-UHFFFAOYSA-N 430.961 4.766 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC 743132177 VXFGDUGEZYKEQI-UHFFFAOYSA-N 439.487 4.507 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)c1ccc(CC#N)cc1 781662424 ZUMPVJZIIFUMNP-UHFFFAOYSA-N 429.314 4.708 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccsc1 790748725 VWCUNGBESWASJJ-QGZVFWFLSA-N 431.970 4.694 30 10 IJEE O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 790804961 IBTBMTMSBJKERT-SFHVURJKSA-N 447.457 4.657 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 792588150 FWULWTLZYCVZIO-XMMPIXPASA-N 437.499 4.747 30 10 IJEE Cc1cc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)c(C)o1 1125383718 BNAXOFHNGRDWFY-CQSZACIVSA-N 440.912 4.537 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cccc(OCC(F)F)c2)s1 1125683163 ASMUUURJEOCJSA-UHFFFAOYSA-N 432.945 4.799 30 10 IJEE C#Cc1cccc(N(CC)C(=O)Cc2cc(OCC)c(OCC)cc2Br)c1 1125842800 MIRCSOCJACZDKN-UHFFFAOYSA-N 430.342 4.823 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1128727504 OQBBTZZEOTYJDK-JLHYYAGUSA-N 433.277 4.526 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)Cc1ccc(C)s1 1141314252 IFYUZJXXULXMNF-JOCHJYFZSA-N 440.609 4.935 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(Cl)c(Br)cc1OC)C(C)C 1144204617 RWIWKLRJZWQNDM-QGZVFWFLSA-N 429.786 4.540 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 1155858475 YBHYWWMMBAWNNA-UHFFFAOYSA-N 435.955 4.795 30 10 IJEE COC(=O)[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)Cc1ccc2ccccc2c1 1162482363 HSBCCUQDNMGJJY-QFIPXVFZSA-N 438.487 4.738 30 10 IJEE C#CC[C@H]1CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1 1176071343 XHBJKJIHAYCRTM-INIZCTEOSA-N 429.383 4.884 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)c2cnn(CC3CCC3)c2)cc1OC 1179764373 RTCKNULQCHAKFG-OAHLLOKOSA-N 434.378 4.870 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1OC 1205169498 GQLOTYPGBKUJPB-SFHVURJKSA-N 430.980 4.611 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)cc1 1211248829 CHGQKICVODUAPX-JOCHJYFZSA-N 445.462 4.763 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](CC(=O)OC)c2cccc(Br)c2)c(Cl)c1 1220235680 ZBSLYTHGLXKYJQ-QGZVFWFLSA-N 435.705 4.510 30 10 IJEE C#CC1(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CCCC1 1220533891 LYFDGVWWGOSYPP-HXUWFJFHSA-N 428.001 4.746 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C 1227924148 JYIMPGFPXFFZKU-VQIMIIECSA-N 427.342 4.549 30 10 IJEE C=CCc1cc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc(OC)c1OC 1264262575 NGMMZBOQEKEMHG-UHFFFAOYSA-N 430.548 4.544 30 10 IJEE C#CCN(C(=O)COc1cccc(C(C)C)c1)[C@@H]1CCOc2ccc(Br)cc21 1265211032 ZLBFNJDHKXZTCF-OAQYLSRUSA-N 442.353 4.937 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCC(C)CC1 1286277944 JIXGQPMZPVQPLA-FZQSFKQPSA-N 428.552 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1cccs1 1286282924 PNXYUGWWWYXMBE-ZUOKHONESA-N 435.380 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1 1286305654 OXZSLHQKCRJNAZ-BTYIYWSLSA-N 447.029 4.651 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286338512 CHZGOIRQLJXFQY-UHFFFAOYSA-N 443.979 4.505 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2sc(C)nc2C)CC1 1286665380 CNZWSDXWPQWACO-TZIWHRDSSA-N 443.661 4.915 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1scnc1C 1286666541 FMKFCHJKKZEBNS-UHFFFAOYSA-N 439.585 4.720 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1cccc(C(F)(F)F)n1 1286742932 RULGFECJUAPGIP-UHFFFAOYSA-N 440.473 4.928 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cccnc1 1286766708 VZFQTHAUMJWZAI-UHFFFAOYSA-N 432.355 4.528 30 10 IJEE C#CCN(C(=O)c1cc(COc2cccc(C(C)=O)c2)on1)[C@@H]1CCCc2ccccc21 1289232264 ADJXIZRANRDCJV-RUZDIDTESA-N 428.488 4.609 30 10 IJEE C=CCN(Cc1cccs1)C(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 1290528745 CCEXICYTDPQAQX-JQHMZKTJSA-N 436.643 4.832 30 10 IJEE COc1ccc(Br)cc1C(=O)CCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 1299758112 COKJHRQCRSFHBB-CQSZACIVSA-N 429.314 4.512 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CCC(F)(F)CC2)cc1 1300049025 GOOPTTJGJHYGHO-JOCHJYFZSA-N 429.515 4.909 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)c1ccccn1 1300283538 NMGVRVLXZNILFJ-ROUUACIJSA-N 433.625 4.962 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1CCC(F)(F)CC1 1300511961 FEFOBJBKCOACEQ-UHFFFAOYSA-N 433.506 4.700 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1cc(Cl)ccc1OC(F)F 1300633395 IIHUJLBJDQDRAS-UHFFFAOYSA-N 436.915 4.693 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1300989875 RVIYWMZXTQCFBZ-OAQYLSRUSA-N 448.970 4.899 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)OC(C)(C)C1 1301023026 ALRKTIALSSJRTK-UHFFFAOYSA-N 445.814 4.915 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1Nc1cnn(CC2CCC2)c1 1301051173 ZNUPRGOPMKBLME-UHFFFAOYSA-N 426.952 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)[C@H]1C 1301143136 DXCABCCWISGTCA-QGZVFWFLSA-N 441.645 4.545 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1301208723 BNVDYHMRMKNIBM-UHFFFAOYSA-N 449.946 4.635 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnn(C)c1)C1CC1 1301313640 DEMGZGBFSAZUGA-KRWDZBQOSA-N 440.979 4.625 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 1309640090 XVHTZNAHMHHURE-YADHBBJMSA-N 427.566 4.654 30 10 IJEE Cc1cc(NC(=O)NCc2ccc(COc3ccc(F)cc3)cc2)c(C#N)cc1N(C)C 1310837826 DLIHSGMSGSONRS-UHFFFAOYSA-N 432.499 4.973 30 10 IJEE C=C(C)Cn1c(-c2oc3ccccc3c2C)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 1343387482 UKOUFGPVWVHEFW-GOSISDBHSA-N 443.555 4.886 30 10 IJEE C=CCN(C(=O)c1cn(-c2ccccc2)cn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352764361 SDNCMIGPYZIXKS-UHFFFAOYSA-N 431.477 4.737 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(C)c(C(F)(F)F)c1Br 1355026916 FDJYZZYDMNEBGL-UHFFFAOYSA-N 442.688 4.745 30 10 IJEE Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3ccc(Cl)c(C#N)c3)cc2)c1 1356103240 BKYRTCHVLZRWCS-UHFFFAOYSA-N 447.922 4.510 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C 1358095655 QAGLVYSCFGPIQM-UHFFFAOYSA-N 449.436 4.949 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1CC 1358988112 CUMKJJALWMDLLQ-DEOSSOPVSA-N 431.628 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC1CCN(CCC(C)C)CC1 1359072579 JLRISIGOVBJGSO-MUUNZHRXSA-N 447.671 4.814 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359076605 GZPBLNWBMAAFRB-BEFAXECRSA-N 449.393 4.504 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@@H](C)CCC 1359078570 HREABLJGKHUBDV-AWEZNQCLSA-N 437.382 4.743 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCCOc1ccccc1C 1359094708 DSJWXPANYFKZEJ-ZJSXRUAMSA-N 447.583 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1359114385 JUDOOHZJRUYDGI-IBGZPJMESA-N 443.555 4.520 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1359122899 DWNGISDPAQPBCY-OAQYLSRUSA-N 426.561 4.831 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359148773 BZYJRPUJFBWUTR-INIZCTEOSA-N 430.339 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2nccs2)CC1 1359174794 OWKAQIGJPVHOPC-UHFFFAOYSA-N 447.406 4.527 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@H](CC)C1)c1ccccc1 1359195248 JHYAPWKFJKLDRW-FYYLOGMGSA-N 433.625 4.956 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359219786 CTFSWPLYUWEEEY-RBBKRZOGSA-N 437.632 4.794 30 10 IJEE C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1359246688 IOYMGYBKTLJOFB-NQIIRXRSSA-N 447.549 4.859 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C(C)C 1359258717 ZVDILRMISCQJGK-FQEVSTJZSA-N 425.964 4.857 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCCC1 1359263861 ODEAVMXOCBQLHU-CTNGQTDRSA-N 429.634 4.506 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)C1CCC(C)CC1 1359311208 UTLKYUXLUSSICQ-UHFFFAOYSA-N 431.584 4.892 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359336889 FDMDCOOJEVRMBU-VSKRKVRLSA-N 426.630 4.745 30 10 IJEE CCN(C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccc(C#N)c(Cl)c1 1435578405 ICWKLVPWAPYGCE-FQEVSTJZSA-N 427.932 4.906 30 10 IJEE Cc1cc(C)c(-c2cc(NC(=O)CN(CCC#N)CCC#N)n(-c3ccccc3)n2)cc1C 1459891216 BOODBZGMRPQMKB-UHFFFAOYSA-N 440.551 4.532 30 10 IJEE C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1463794863 LGSWPDQWSZUSNQ-AXDNMFEOSA-N 432.326 4.945 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)CN(Cc3cccnc3)c3ccccc3)cc2)nc1 1464539407 BVPYIKDYOUJFMO-UHFFFAOYSA-N 435.487 4.786 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)cc1OC 1465750576 QBFOGBUKCKRICY-LUAWRHEFSA-N 431.454 4.993 30 10 IJEE C=CCN1CCC(NC(=O)Nc2nc(C)c(Cc3cccc(Br)c3)s2)CC1 1466542733 VTPUXIKOBFSSDM-UHFFFAOYSA-N 449.418 4.577 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc2[nH]cc(I)c2c1 1466916782 GQBBZIHPDCNVNW-UHFFFAOYSA-N 446.288 4.923 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OC(F)F)c3cccnc23)CN(C(=O)OC(C)(C)C)C1 1466964076 MWSTVVFTRRYIAK-UHFFFAOYSA-N 433.455 4.588 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(c3ccc(F)cc3C)CC2)cc(OC)c1OC 1468361658 LYMKAZXYRHJBLW-UHFFFAOYSA-N 426.532 4.969 30 10 IJEE O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H]1c1cccc(F)c1 1474822333 FMMVJUARHFBNTM-RFBJSHEKSA-N 433.389 4.511 30 10 IJEE Cc1cc(S(=O)(=O)NCC2(c3ccc(Br)cc3)CCCCC2)ccc1C#N 1475010927 BHOHEKJHDCWAHL-UHFFFAOYSA-N 447.398 4.810 30 10 IJEE Cc1csc([C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C(F)(F)F)n1 1475929695 HIOPNDPTOXLTEY-AWEZNQCLSA-N 437.472 4.796 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 1476728587 FZQCAUKSCVDFFF-QGZVFWFLSA-N 444.373 4.752 30 10 IJEE C#CC[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 1477580538 VJUFTQQPCVUKGQ-OFVILXPXSA-N 439.515 4.648 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccc(F)c(F)c1 1478470245 CTYUSFVEXJXLQC-DENIHFKCSA-N 442.510 4.968 30 10 IJEE C=CCCCNC(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 1478575065 XLJKIFCZZRDNOS-UHFFFAOYSA-N 448.430 4.971 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)c(Cl)c1 1478581173 GRSXUYFRRWLZEG-UYAOXDASSA-N 426.923 4.519 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(C#N)C1)OC 1494973743 DDJKSIOXBVCPPU-LERMDLETSA-N 445.995 4.798 30 10 IJEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(Oc2ccccc2F)c1 1495452317 GWARXXXBYWQVSY-HJPURHCSSA-N 438.482 4.608 30 10 IJEE CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1)OC 1496507463 DDDWPCIDJPGWGA-WMZHIEFXSA-N 443.567 4.682 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)CCS1 1497716417 DXXYSAVMPLIXRH-UHFFFAOYSA-N 439.629 4.888 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCCO1 1507556870 LJSGPNNBZGCTQF-HSZRJFAPSA-N 431.584 4.771 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C)CCCC1 1507663718 ABNJQHPCFVTEGM-UHFFFAOYSA-N 434.584 4.784 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCO[C@H]1CCCC[C@H]1C 1507668896 ODCRXBAXFLOYLH-QPPBQGQZSA-N 441.579 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CC(C)(C)C1 1507684938 JUPQJRSHBYMAGY-UHFFFAOYSA-N 431.378 4.612 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1507787433 DKWSQPROGOBXKJ-KUHUBIRLSA-N 431.378 4.735 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1507824880 LZTBOURNGVXGHM-FQEVSTJZSA-N 441.620 4.704 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1507870364 IZSGZYURZQEIAN-LJQANCHMSA-N 428.005 4.965 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1507879310 DSIWYXHHEYNQGL-HSALFYBXSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1507897847 ROFXNPUROMIAER-IBGZPJMESA-N 443.592 4.798 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1507916391 PQRGBIUQWQBBOY-QFIPXVFZSA-N 440.636 4.852 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1cc(C)cc(OC)c1 1508032709 GXTSFKXJTRVAQZ-QHCPKHFHSA-N 436.556 4.713 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1508038992 VGSZQHUHNUVHAZ-KRWDZBQOSA-N 437.613 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCC(F)(F)F)C1 1508115393 ONTYLXHWRNPQMT-QGZVFWFLSA-N 445.489 4.926 30 10 IJEE CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)CCOCC1 1513605986 APYYKOZNYJSIFN-UHFFFAOYSA-N 427.980 4.935 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)c1 1517116948 KLKBVKFIRORDFY-UWWJJSIVSA-N 441.358 4.928 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2cccnc2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1522166053 LCDVSIJUILNZAN-DEOSSOPVSA-N 430.504 4.677 30 10 IJEE C#C[C@H](NC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1528087397 CZBXRPZLCGQQHR-ZGKFYVQTSA-N 430.298 4.501 30 10 IJEE C=CCC(F)(F)C(=O)Oc1ccccc1C(=O)OCc1ccc(Br)cc1 1528167375 QQVOFRDZCWHEKH-UHFFFAOYSA-N 425.225 4.923 30 10 IJEE N#Cc1cc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cs1 1529742415 BYOROTGSVMDCKU-UHFFFAOYSA-N 429.423 4.821 30 10 IJEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 1530857632 CMOLECSJBRECJW-UHFFFAOYSA-N 446.484 4.535 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2cc(Cl)cc(Cl)c2)nnc1-c1ccco1 1532268429 IMOFUAJJRNXKCL-UHFFFAOYSA-N 437.352 4.830 30 10 IJEE C=CCc1cc(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc(OC)c1OC 1532363225 YNRUUNJDAFWFAC-UHFFFAOYSA-N 426.513 4.709 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Cl)cc1I 1532684715 BGKGXALCPQEYTF-UHFFFAOYSA-N 443.668 4.770 30 10 IJEE C#CCN1CCC(C(=O)Nc2ccc(Br)cc2Oc2ccc(C)cc2)CC1 1533489455 ZYFSDBAWMOEFAG-UHFFFAOYSA-N 427.342 4.834 30 10 IJEE CC(C)c1ccc(C2(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCC2)cc1 1536962012 FYWFTIGVZZBYPO-DEOSSOPVSA-N 429.564 4.805 30 10 IJEE C#CCSc1ccc(COC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 1538704636 UCDLKZUSPKSMNI-XMMPIXPASA-N 443.524 4.711 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1c(CC)noc1C 1538992650 VYANGQXVAHPRDG-GOSISDBHSA-N 435.572 4.735 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCC[C@@H](C)C1 1539149580 YRHPVFIREWCWGX-WOJBJXKFSA-N 444.023 4.653 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(Cl)c(OC)c1 1539154307 IBUMETGZCSVSLO-OAHLLOKOSA-N 441.000 4.911 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCSC1(C)C 1539328235 ORAOQYVUMQAILK-IBGZPJMESA-N 427.017 4.517 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1539379381 ONNBYDZCTHEAEE-OZIPEELISA-N 447.432 4.537 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1539524479 GDPAQCQGFOBVKB-NRFANRHFSA-N 445.032 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCOC(F)F 1539538738 MKVLQYRRIOUSFC-QVKFZJNVSA-N 438.906 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCCO1 1539622031 VAYYCHMGEZDQDL-JBACZVJFSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN(C(C)C)C1 1539676361 NUICJAAFVZFVMT-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(F)ccc2F)CC1 1539831272 FVGUTPWUAVAXRC-UHFFFAOYSA-N 448.315 4.529 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)C2CCCCC2)CC1 1539856295 XLHYLLSENLPDLW-AREMUKBSSA-N 438.616 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1539906435 NVEHMOUEOCHRKN-FQEVSTJZSA-N 435.532 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539921097 QRJKFVQVEQWKIW-FQEVSTJZSA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1539924742 YGEXJEFZMLTRKG-RUZDIDTESA-N 436.625 4.939 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 1540095826 WTOZSXRYLXSLOE-YLJYHZDGSA-N 443.389 4.844 30 10 IJEE COC(=O)[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1F 1544565449 FTLGJLCGVXNKIU-NRFANRHFSA-N 438.842 4.787 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1cscc1C 1545535138 BBTHPHZETKPVCU-MRXNPFEDSA-N 438.576 4.547 30 10 IJEE COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N(C)[C@H](C)CC#N)N2CCCC2)c1 1554991496 CZYKUEDDTBMRHL-AUSIDOKSSA-N 436.604 4.520 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(NC(=O)NC2CC2)c1 1556967296 DTAUCYKKVSFPMR-UHFFFAOYSA-N 430.302 4.550 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)ccc2C#N)CC[C@@H]1C(F)(F)F 1559282561 XITWLMMVHDESQH-UONOGXRCSA-N 448.283 4.603 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1ccc(F)cc1Br 1559807661 MDTZAJFTKVVCFR-CQSZACIVSA-N 425.367 4.685 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C1 1559947589 XEFDUGJOSBAQJD-LJQANCHMSA-N 433.552 4.828 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 1562619993 RTYXQLDFQHHRNJ-UHFFFAOYSA-N 425.960 4.796 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 1563683583 CEIZAZMPRBROER-JOCHJYFZSA-N 430.379 4.822 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1 1564066724 DICBNHCOESFOTH-UHFFFAOYSA-N 448.394 4.669 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1564190024 SULYSOWUHFTWGX-NRFANRHFSA-N 432.561 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cccnc1OCCC 1587679261 YXEWKZFMHZJURF-IBGZPJMESA-N 435.597 4.569 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1587777745 PXXOEZWYXKGMOI-VPTFNQTCSA-N 440.638 4.669 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1ccccc1 1588595082 MUYQVYRIVRTDNM-HXUWFJFHSA-N 448.636 4.850 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCc1c(C)noc1C 1589251076 IPVYMZQSVPXZSN-XMMPIXPASA-N 435.597 4.718 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1589287487 AFTPEQIZKLIKIK-KDOFPFPSSA-N 446.393 4.681 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccccc1C 1589544832 KGGBAIAXMQIGFP-NFBKMPQASA-N 426.605 4.672 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccc(F)c1 1589599762 LLBFDFHRBROLCA-RUZDIDTESA-N 444.595 4.838 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)cc1 1589600278 ZOJLNYKFSQNCFD-UHFFFAOYSA-N 432.341 4.636 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@H](CC)C1)c1ccccc1 1594553346 YYHGLJKSCAZHNQ-XZOQPEGZSA-N 433.625 4.956 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1C(C)C 1594573528 SUFONENXWPQEFL-LJQANCHMSA-N 444.649 4.528 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(F)c1 1594626626 NHXVALGNMXJSIO-UHFFFAOYSA-N 449.578 4.584 30 10 IJEE C=CCCCCn1c(CCOc2ccccc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1594644460 BREALHOCYZHHRB-VWLOTQADSA-N 426.605 4.897 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1594767248 QCZROTSDMWJHAC-OAQYLSRUSA-N 425.646 4.910 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C)C(C)(C)C1 1595658702 JBRZPISRGCEXTB-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCCCCC2)c1 1598290977 JNBZDXVRIARNEV-HSZRJFAPSA-N 443.632 4.928 30 10 IJEE CCOc1c(Cl)cc(Cn2c([C@H](C)CC)nnc2N2CCC(C#N)CC2)cc1OC 1616296679 HUUDXFSAEAGKOG-OAHLLOKOSA-N 431.968 4.641 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1618344999 PEEWSKFLABBASX-QFIPXVFZSA-N 447.000 4.808 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C)cc(I)c1 1624546161 MJPLSKHRYUUPNW-UHFFFAOYSA-N 436.293 4.828 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 1626645223 KURDCDDNROMRLT-UHFFFAOYSA-N 436.533 4.921 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCNC(=O)c1cccc(Br)c1)c1ccccc1 1630798592 ZRDPOUIJEGIQIJ-HXUWFJFHSA-N 444.373 4.576 30 10 IJEE C=CCSCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1633879760 LCYIPLWNZUQLIP-UHFFFAOYSA-N 446.638 4.742 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O 1635395597 SKEGZYRRHJGIQV-BZSNNMDCSA-N 426.985 4.553 30 10 IJEE Cc1cccnc1Oc1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 1635679617 HGKIZGWKGAQJOO-QHCPKHFHSA-N 446.938 4.858 30 10 IJEE Cc1ccc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 1638607731 APXSAZJPUNNMAA-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE C=CCn1c(Sc2ccnc(-c3ccc(OC)cc3)n2)nnc1-c1ccccc1OC 1642016106 FLRDTQBOJMUTAB-UHFFFAOYSA-N 431.521 4.757 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1642732704 HLRLMMFXNSDBIY-IBGZPJMESA-N 433.512 4.665 30 10 IJEE Cc1cc(F)ccc1N(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(C#N)cc1 1644857949 CBYHYWYCQOQVCT-UHFFFAOYSA-N 431.515 4.963 30 10 IJEE C#CCC1(NC(=O)[C@@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 1645146664 FWPLEGKYMHVJEA-RUZDIDTESA-N 442.559 4.922 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)c(Cl)c1 1645997713 KYECPNXBYXHWLP-UHFFFAOYSA-N 426.806 4.810 30 10 IJEE N#Cc1cc(F)c(N2CCc3c(F)cc(Br)cc3C2)cc1Br 1650858908 FSHFDULHYPHNHA-UHFFFAOYSA-N 428.074 4.924 30 10 IJEE C#CCN(CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1)CC1CC1 1652932053 LLOMDJGAFAVBEK-UHFFFAOYSA-N 433.552 4.828 30 10 IJEE COc1ccccc1N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C(C)C 1653777366 FBMXPUWSXKVXIX-UHFFFAOYSA-N 434.515 4.967 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(C)C)[C@H](C)c2ccccc2Cl)c1 1661943159 OQVJPIPTNXULSZ-QGZVFWFLSA-N 434.989 4.664 30 10 IJEE C=CC[C@H](NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1ccncc1 1662217490 VDTXTBDKUPQWFB-INIZCTEOSA-N 439.484 4.820 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)cc1 1668388961 CRAQBFQPJFFYLZ-SFHVURJKSA-N 448.542 4.884 30 10 IJEE N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(Oc3cc(F)cc(F)c3)nc2)CC1 1672062843 ALOPQESTZRZLMQ-UHFFFAOYSA-N 435.434 4.636 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(OCC)c1OC(F)F)c1ccc(Cl)cc1F 1685612381 IWXVHJYUDIGJLP-INIZCTEOSA-N 426.822 4.653 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CC)CC1CC1 1690157579 KEEWLFPZVABCFQ-UHFFFAOYSA-N 433.625 4.955 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1690230614 LDKOOIMXOMOTIE-JCURWCKSSA-N 436.423 4.557 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690405010 YNXIOJXNPZAEQF-FGZHOGPDSA-N 446.643 4.977 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1690455953 QNOMMVGFUDUWFD-OAQYLSRUSA-N 428.577 4.757 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[S@@](=O)C(C)(C)C 1690516440 JKXHBLQXOHQLSP-SSEXGKCCSA-N 443.642 4.546 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CN1CCCC1 1690519815 YPUMUHQQPSCTOP-UHFFFAOYSA-N 446.437 4.760 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCO[C@H](C)C1 1690605659 SNQCYDBJIZNAMZ-UXHICEINSA-N 436.556 4.597 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1Nc1cnn(CC2CCC2)c1 1690649569 BAZMARKKUYQSMK-UHFFFAOYSA-N 443.349 4.546 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(Cc1ccnn1C)C1CC1 1690737625 RHWCQOIFPISSAU-UHFFFAOYSA-N 446.983 4.559 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC(C)(C)C1 1690747296 XOQICPAPCTXYJI-XLIONFOSSA-N 428.602 4.582 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1692477190 IAJSAEOOXKKXHL-DEOSSOPVSA-N 447.564 4.794 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1)SC 1694262754 GGUREEUFVVGIAQ-UWJYYQICSA-N 439.629 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC1CCCCC1 1705484330 MZIPPJUDXPQIDE-OAHLLOKOSA-N 448.398 4.549 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCCC[C@@H]2C1 1705509614 IEMHTZXIYZOZIS-XZOQPEGZSA-N 435.616 4.513 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705513620 SJXLOQOXTYSDGJ-QHCPKHFHSA-N 436.600 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[C@H]1C 1705609966 XNEFGMGLIKDUMF-WBVHZDCISA-N 431.378 4.612 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCC2(C)C)CC1 1705633068 IMRPYXXBQUCBAP-PKTZIBPZSA-N 449.643 4.616 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(Oc3ccc(C)cc3)CC2)nnc1C(C)(C)C 1705707473 LQZGEDFODZWLBT-NFBKMPQASA-N 438.616 4.913 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1705759637 SSSSNFLURPGJRP-CRAIPNDOSA-N 445.753 4.769 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)c2nc(C)cs2)CC1 1705770506 JIRQCJOFTYVFAH-SFHVURJKSA-N 437.613 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)c1ccco1 1705789572 PICNNZKSUWCRAI-INIZCTEOSA-N 432.528 4.987 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1705814670 WOGMGMPHZSLJMK-UHFFFAOYSA-N 431.565 4.944 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705829554 VKNGOAKZWUNLOX-UHFFFAOYSA-N 445.489 4.896 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1705836226 KURXNVFLZVMODV-UHFFFAOYSA-N 439.361 4.804 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1nc(C(C)C)cs1)C1CC1 1705851080 UDNFQNWLXINMQO-UHFFFAOYSA-N 439.585 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N1CCC(C)CC1 1705866173 JHACPOQGHSFYRU-IFMALSPDSA-N 443.661 4.894 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC([C@@H]3CC3(F)F)CC2)cc1 1705911242 CFRSMKQONKPUBT-NRFANRHFSA-N 430.543 4.961 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1CC1CC(C)(C)C1 1712018367 DAFKHHVEIRHNBC-UHFFFAOYSA-N 425.602 4.755 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(C)CCOCC1 1722282277 YDXBCFALVBWEFN-LJQANCHMSA-N 431.584 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCSCC(C)C 1722288416 ZXLMAZYBJQGZKK-MRXNPFEDSA-N 435.435 4.945 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccncc1Cl 1722302004 DXVUDXSMRWBWEY-QGZVFWFLSA-N 437.975 4.709 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(CC2CCCCC2)CC1 1722340185 PUNGWDUPUQWHAE-UHFFFAOYSA-N 449.643 4.535 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](Cc1ccccc1)OC 1722404925 GXQPHRKECRZSKC-KNQAVFIVSA-N 448.636 4.849 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCSC(CC)(CC)C1 1722465303 IOLWLLSKGQBOAI-UHFFFAOYSA-N 444.670 4.644 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C)CC1 1722493207 XEKWQBNIFXCASQ-JQVVWYNYSA-N 426.536 4.695 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1722584350 YPDJWMKXDCZFGZ-HSZRJFAPSA-N 439.623 4.778 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1722592807 ZMDQNYSIAVHSIZ-LJQANCHMSA-N 442.629 4.935 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccco1 1722606227 IDKWDWHHEZUIIK-QGZVFWFLSA-N 425.558 4.560 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1oc(CCC)nc1C 1722664188 SAQRRAZDDREQLL-SFHVURJKSA-N 441.601 4.723 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC(F)(F)CO1 1722664209 SKYRINYRKDMMAM-SFHVURJKSA-N 448.514 4.686 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722684155 WXQAEVQQSWZBFF-UHFFFAOYSA-N 443.260 4.673 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(Br)s1 1722688200 SUULQKPHMXZEQF-UHFFFAOYSA-N 433.375 4.812 30 10 IJEE C=CCSCCn1c(N2CCCN(C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1722739057 DQFLROZEUYDLHG-UHFFFAOYSA-N 439.673 4.588 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1730355292 HDTZRYJLWDBJJT-YTQUADARSA-N 427.618 4.829 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)cc1SC 1740562524 MCXVDDLXFWMIGB-FBBABVLZSA-N 426.630 4.733 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1cccc(Cl)c1 1740570018 NLBSTQNCYILAFG-UHFFFAOYSA-N 444.366 4.966 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](OCCC)CC1 1740584393 GHYIAXSPYXHWBX-VQTJNVASSA-N 428.552 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCC1(F)F 1740666220 GWHAVFFMQWOOEG-HNNXBMFYSA-N 437.332 4.993 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cccs1 1740728123 NRQRXGSNTAJPIG-XMMPIXPASA-N 436.581 4.843 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(=C)CC1 1740789668 HYEZJAIJQQBSJM-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cc3ccccc3s2)CC1 1740833145 LXCAJFJOSWHSIY-SFHVURJKSA-N 440.613 4.862 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1)c1ccccc1 1740856406 SPFNJLSLNMUJHQ-VXKWHMMOSA-N 437.588 4.620 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740857757 BGFQHUVVTZBBPE-AGQFNQOXSA-N 428.552 4.511 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740861037 ZGSIOBDQMRELIY-LJQANCHMSA-N 438.494 4.858 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740997600 YCPTVPBRYANPHZ-RHSMWYFYSA-N 426.508 4.508 30 10 IJEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1)Sc1ccccc1 1741858413 DNAKIAHUHXRNJJ-YADARESESA-N 432.597 4.575 30 10 IJEE C[C@H](CN1CCCC1)Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1741870757 GAMWYJBLPPPGAB-HXUWFJFHSA-N 434.632 4.639 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)CC 1748713988 GIXIZULVYXIIMT-VQTJNVASSA-N 431.625 4.678 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1749106314 BIYAXDXIVNAIMO-GOSISDBHSA-N 442.361 4.669 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C(F)(F)F)c1 1749142129 QQZAUOCHCGITRQ-UHFFFAOYSA-N 437.510 4.666 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749213523 MCHSAUOOJGFUBK-XZOQPEGZSA-N 438.616 4.544 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](CC)N2CCCC2)CC1 1749286782 RDWKBRFMEWFNTP-FPOVZHCZSA-N 427.568 4.588 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1749402992 UIDKJJXMLUOTKX-CTNGQTDRSA-N 430.980 4.760 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)CC1 1749439817 KBZYWYRWLVBRGS-UHFFFAOYSA-N 434.053 4.968 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCn2cc(C)nc21 1749466341 OZUGYOCGHIUQEW-QZTJIDSGSA-N 440.979 4.776 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@](C)(O)C1CCCCC1 1749537931 CHQPKTMEIUAMMI-SANMLTNESA-N 433.600 4.808 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1 1749574459 VTLHXYVLAKDHJC-NRFANRHFSA-N 437.588 4.619 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccncc1Cl 1749587018 FKVUUMOVXFGROM-UHFFFAOYSA-N 444.926 4.742 30 10 IJEE C=CCn1c(-c2cccc(C)n2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1749633755 KYOIENVWCIJQMJ-UHFFFAOYSA-N 432.503 4.698 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749641000 PJQGAPQWVIZZMP-QFIPXVFZSA-N 448.615 4.995 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(C)(F)F)cc1 1750791978 GTSLEYRLAXZHRI-UHFFFAOYSA-N 441.530 4.605 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccncc1Cl 1760237477 KQKIUJHUKBDURC-UHFFFAOYSA-N 437.975 4.845 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1760275478 YDSCNNYQXFYAOL-INIZCTEOSA-N 430.574 4.622 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](CCC)C1 1760276306 ZCXJYTMHBFUZAC-IEBWSBKVSA-N 444.670 4.503 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1760276994 VRXHIABUKBXUCR-UHFFFAOYSA-N 441.988 4.542 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1760320318 XBHFILWAFCBQIR-LEDOBFOHSA-N 425.964 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CC1CC2(CCOCC2)C1 1760340264 RANRLRNHCOGTDF-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@](C)(CC)C1 1760367336 HOWGPQXOGJSYCD-GOSISDBHSA-N 443.748 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760415356 WMXOGSDDPVEYMY-LJQANCHMSA-N 447.505 4.651 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](COCC)C1 1760422615 OPKGEMJGDVNUGN-INIZCTEOSA-N 436.398 4.645 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](COCC)C1 1760422616 OPKGEMJGDVNUGN-MRXNPFEDSA-N 436.398 4.645 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C2CC2)C1 1760446112 HRASSUIGYXUTAZ-HNNXBMFYSA-N 437.407 4.598 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC1CC(F)(F)C1)C1CC1 1760469402 HMQXXUJNIVMEHU-UHFFFAOYSA-N 429.334 4.969 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CCN1CCC[C@H]1C 1760498557 VTHRLQWGVAOWPX-LJQANCHMSA-N 439.991 4.911 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC(F)(F)C2)cc1OC 1766269526 FZRQDHMHDYLTMU-IRXDYDNUSA-N 447.530 4.916 30 10 IJEE COc1cc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)ccc1O 1772734541 FTIUXKNQLVWDAT-RNUJJHFSSA-N 446.484 4.908 30 10 IJEE CCCCCCCCCOc1cccnc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1858750067 JQSKTQYTXVLOAT-GOSISDBHSA-N 437.540 4.834 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OC)cc2)cc1 1862392250 SPAHKBRVIGQNRD-UPVQGACJSA-N 449.547 4.795 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1862432834 NZVVYBQHSIZLBO-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC)cc1OCC 1862454349 VVJQDWLASWKAIC-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 1862515569 SZTOSJPVXXHTDQ-GGAORHGYSA-N 435.520 4.541 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862568206 KKKTVTYWWQQRRQ-DEOSSOPVSA-N 442.515 4.836 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862642749 OXKBBYFVCVUBCD-HXUWFJFHSA-N 442.443 4.511 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(F)cc2)cc1 1862662090 HHSYSYSZSICKKR-JOCHJYFZSA-N 425.500 4.690 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862744328 MNRZDDCKATXWGK-GOSISDBHSA-N 448.397 4.848 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1 1862968093 WKKGWSCHYKBDSU-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE CCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(NC(C)=O)cc2)C1=O 1863548719 WQMZVSBCRXOPJL-UHFFFAOYSA-N 427.589 4.721 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2cccs2)C1=O 1863808198 IFRPQKRQBRTGFY-UHFFFAOYSA-N 433.662 4.900 30 10 IJEE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867132137 OHHLHSBXIHHPHU-ZJSXRUAMSA-N 447.485 4.892 30 10 IJEE CC[C@@](C)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867352466 PZJXZKALCINHBQ-SHQCIBLASA-N 425.532 4.942 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(-c3cccnc3)n2)cc1 1868576344 RPPIOWQCQFJMOC-UHFFFAOYSA-N 435.447 4.756 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(C(C)C)cc2)c(C(C)(C)C)c1 1870144783 KYAPBYWYSQWXNW-UHFFFAOYSA-N 431.540 4.886 30 10 IJEE CC(C)(C)c1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2cccc(Cl)c2)cc1 1870146007 ZTSAAWJNUDKNNF-UHFFFAOYSA-N 437.931 4.888 30 10 IJEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN(CCOC)CCOC 1870353798 RULKVTNIGJNQMN-UHFFFAOYSA-N 438.653 4.729 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(C)C)cn1CCOc1ccc(OC)cc1 1870354614 KRPPZNCDSXQWAR-UHFFFAOYSA-N 440.584 4.535 30 10 IJEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870813611 TVVCCQVDSNTNTN-UHFFFAOYSA-N 428.891 4.875 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1cc(C)cc(C)c1 1871237257 KYOSRLYOXWHLMJ-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871375714 ZPCOISUMTLDDSF-MSXFZWOLSA-N 444.439 4.578 30 10 IJEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616243 CNXNLNNXZWIKGM-FQEVSTJZSA-N 439.652 4.534 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872511653 LGPTXVXZZNLCSO-QHCPKHFHSA-N 428.598 4.904 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1C 1872765002 DNQDSSJJGMLMCO-MRXNPFEDSA-N 436.493 4.591 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203125 ANIFDZBAORCTEN-UHFFFAOYSA-N 427.504 4.643 30 10 IJEE CCOc1ccc(/C=N/Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1OCC 1873526683 RAMNWKPGGFWKBH-WYMPLXKRSA-N 447.322 4.783 30 10 IJEE COc1cc(/C=N/Nc2ccnc(Cl)n2)cc(Br)c1OCc1ccccc1 1873795413 IBJYVIVLIBUUNY-FOKLQQMPSA-N 447.720 4.926 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SC)cc1 1874295906 ABXUEJYAJGFBEO-PXLXIMEGSA-N 425.514 4.560 30 10 IJEE CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(Br)ccc1O 1874339472 XXDKRCWSWSPVJU-KEBDBYFISA-N 437.750 4.595 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874342607 YVGHHKTXVANJLS-FSJBWODESA-N 428.945 4.787 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc(O)cc2O)cc1 1874388695 ZXTZMODGIUNQCF-VULFUBBASA-N 448.523 4.902 30 10 IJEE C=CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874462309 RGXYURNHJPQWFJ-ZMOGYAJESA-N 432.427 4.676 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874491391 OYXLNTTUZAQJIF-LSFURLLWSA-N 443.400 4.957 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC 1874627720 SIWLQQGSSRGFTB-VMPITWQZSA-N 437.870 4.818 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC(=O)C3CC3)c(OC)cc2Br)c1 1874694995 GCJHBSBUKFGCBA-CMDGGOBGSA-N 431.282 4.678 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)COc1ccccc1 1875144094 FJCQKUTZFHZBQB-ZRDIBKRKSA-N 432.472 4.893 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCc3ccccc3F)ncnc21 1875231283 HOFWGEQGUJMFLF-UHFFFAOYSA-N 429.499 4.641 30 10 IJEE C#Cc1cccc(N(C)C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1962736560 FWNBZCXYNLWQMS-UHFFFAOYSA-N 436.511 4.702 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)ccc(Cl)c1F 2041204459 QNOQMGZITQWDPX-CZUORRHYSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CCCB1OC(C)(C)C(C)(C)O1 2044532018 UYHQVQCZJPRSOU-UHFFFAOYSA-N 430.398 4.946 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2047971197 RBHFKAOKBBGDFT-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE COc1ccc([C@@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1C 2079933845 RUJQXCAFOWUALR-MRXNPFEDSA-N 441.313 4.557 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2ccc(C#N)c(Br)c2)CC1 2106957172 RDLVAHGHXMWJLT-QGZVFWFLSA-N 426.330 4.718 30 10 IJEE CC1(C)OB(c2cnc3c(N(Cc4ccccc4)C4CCCC4)ccnc3c2)OC1(C)C 2116148344 OPZWJIQCDWNZEG-UHFFFAOYSA-N 429.373 4.878 30 10 IJEE C=CCN(CCC(=O)NCc1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2221898869 FCQKLTSLRHDAQV-UHFFFAOYSA-N 431.396 4.557 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2235718664 DQKZKVDRROBEGU-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)cc2OC)C1 2239665687 PMHQEPKJBOFAOA-GOSISDBHSA-N 439.394 4.969 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Nc1cc(Br)c(C#N)cc1F)C2 2241100915 XMGNOVJBKDBNGW-XYZKALLWSA-N 438.341 4.954 30 10 IJEE N#C[C@H]1CCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)C2(CC2)C1 2245104604 SNIZVGDBPZVUNO-IBGZPJMESA-N 443.547 4.600 30 10 IJEE C=CCC1([C@@H](NC)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266712032 SADCFOYFMOXFNW-KRWDZBQOSA-N 425.367 4.531 30 10 IJEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCC1 2270449819 YUKDLNDGXUTLFQ-UHFFFAOYSA-N 437.364 4.876 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CC(F)(F)F)C(=O)C#Cc1ccc(Br)cc1 2278791082 WKCIMFYBEOEORU-QGZVFWFLSA-N 434.252 4.606 30 10 IJEE C=CCCC1([C@@H](NC)c2c(Br)cnn2C(C)C)CN(C(=O)OC(C)(C)C)C1 2281031132 BCIDOHMZUZFWCA-KRWDZBQOSA-N 441.414 4.690 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCN[C@@H](C(F)(F)F)C1 2294736268 OGUXCOMBYJSYAZ-PBHICJAKSA-N 448.283 4.767 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@H](O)C#Cc1cccc(Br)c1)C2 2296229476 JYSPCGZPSJWCGT-SLFFLAALSA-N 434.374 4.730 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)o1 2296247639 QYGZBAFKMPSCNQ-OSPHWJPCSA-N 443.499 4.576 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cc(C)n(C)c2C)C1=O 2297454396 ZYSHNCYZIGJXSC-UHFFFAOYSA-N 426.538 4.584 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3cc5ccccc5nc3O)CC(=O)O4)C2=O)o1 2297591983 NCLUYZSTWPIDQM-QGZVFWFLSA-N 439.423 4.899 30 10 IJEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)NCc1ccco1 2322952645 FICYMQLLKYJHTD-UHFFFAOYSA-N 433.504 4.805 30 10 IJEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC 2323289039 JUOSJTBUXTWMPD-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1Br 2323561567 MDJFEZFLEXEMPZ-UHFFFAOYSA-N 447.325 4.994 30 10 IJEE Cc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1 2325738552 APPRNIAPTCIWCE-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1cn(C)c2ccccc12 2326846285 CLZBODSPUDOAJK-UHFFFAOYSA-N 447.564 4.908 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2329097472 XMXDIGSVOFPIID-UHFFFAOYSA-N 427.917 4.981 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(O)cc2O)cc1 2329799745 KXCZOBCUJPSGRQ-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccco2)cc1 2330075821 WASCDNYIHCDNLC-GOSISDBHSA-N 445.548 4.944 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccn1 2330085882 JFVDSIQKIJTJTQ-QGZVFWFLSA-N 444.520 4.908 30 10 IJEE Cc1ccc(COc2ccc(C=Nn3c(CC(C)(C)C)nnc3SCCO)cc2)cc1 2330880158 FPZZXSXTPHYGRY-UHFFFAOYSA-N 438.597 4.721 30 10 IJEE CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2330946224 ZNYUVVLJHAWNAZ-FQEVSTJZSA-N 438.553 4.711 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2331320669 SFJAOYMUSOTTDU-UHFFFAOYSA-N 443.960 4.593 30 10 IJEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCC(=O)Nc1ccccc1F 2331430119 MFPVWQQRCJDAKX-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1cc(OC)c(OC)cc1OC 2331632539 IKALURCTJVHUMI-UHFFFAOYSA-N 440.569 4.739 30 10 IJEE CN(CC(C)(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339579298 UGIUOHDVUNQYIU-BUHFOSPRSA-N 446.397 4.998 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339582944 SQJBRPLRFXVWJY-DEOSSOPVSA-N 443.397 4.928 30 10 IJEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339588514 JQMKDKHMNLMBMV-IEBWSBKVSA-N 443.397 4.784 30 10 IJEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339590680 QIDGELOSBOQWDG-KQDNUWKFSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339601480 YNTVYSSABWKGIK-WTWCKAPFSA-N 444.381 4.798 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)Nc3ccc(Cl)cc3)nc12 12289454 SKKSJBKUEJDKDS-UHFFFAOYSA-N 432.871 4.907 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)nc2sc(C)c(C)c2c1=O 16715547 PIEWXDKKFFHFSP-AWEZNQCLSA-N 431.558 4.828 30 10 IJEE COc1ccccc1[C@H](CNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)N1CCCC1 23982383 VKOZSRAWIMGDKB-AAJFVQQISA-N 442.563 4.530 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(OC)cc2)Nc2cc(C)cc(C)c2)c1C 32972257 LMJYVCDAHNSGMO-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE O=C1N/C(=N\N=C\c2ccccc2OCc2ccccc2)S[C@H]1Cc1ccc(F)cc1 39888259 LENVWCSPGJVBEM-WGLQLPMYSA-N 433.508 4.569 30 10 IJEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccc(N(C)C)cc1 54641655 MTNCRRMYKIFHRZ-NRFANRHFSA-N 437.544 4.653 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)/C=C/c4ccccc4)sc3C)cc21 96470116 WOKIMCDWQKVYOF-FMIVXFBMSA-N 431.517 4.682 30 10 IJEE CCOc1cccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3)N(CC)C2=O)c1 101663251 DAMOGCXEZXMIAN-JQBIEYAESA-N 431.945 4.719 30 10 IJEE O=C1/C(=C/NCc2ccccc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 105286326 YLIVEOACUSEJPO-JCMHNJIXSA-N 438.936 4.504 30 10 IJEE C=CCC[C@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 169679500 KXVWLNHJRHJJMQ-GMAHTHKFSA-N 428.960 4.671 30 10 IJEE COc1cccc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)c1OCc1cccc(C)c1 169905502 LPBRJOASASPCGY-MFKUBSTISA-N 438.549 4.512 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(C)c1 169906661 BLEOIFBHAZCWCH-ZVHZXABRSA-N 428.941 4.848 30 10 IJEE CCN1C(=S)N[C@H](c2cccc(OC)c2OCc2ccccc2F)C(C(C)=O)=C1C 169933132 DIWKUYJTOKUKTE-OAQYLSRUSA-N 428.529 4.527 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c1 169957660 HSVGQPGBLBURAE-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972446 YUTHKUSNCSRQEE-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1 169997604 OXFBKWHWLYNQPO-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC 170056315 IFMSRHBIAJBPKJ-UHFFFAOYSA-N 442.496 4.652 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(F)cc2)c1 170060521 NKCGTEGKQVBDNX-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170066794 SWTLKNPKBQQRNT-XUZZJYLKSA-N 449.547 4.884 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170076824 PATZTTVHQVXRTJ-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(O)c2)cc1 170080414 VMBSWMGZFWJKIQ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cn1cc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085930 BFWLKADTGLTURK-XMMPIXPASA-N 442.515 4.634 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170123115 FQPISECMCJCRJG-GBXCKJPGSA-N 443.499 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170135735 DAWWXJVIFHCNSM-HSZRJFAPSA-N 433.504 4.628 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(OCC)c1 170149319 KABXZTQFAZBJAY-QHCPKHFHSA-N 431.488 4.932 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)cc1C 170168229 XAWQUINDTQXFDG-NRFANRHFSA-N 434.517 4.547 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)c1 170184757 AGXQYGLKGNINHB-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc2ccccc12 170220349 LPAQCGFZHUEQAG-QHCPKHFHSA-N 426.472 4.546 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266453 NHXVFMCCLUSQAH-JOCHJYFZSA-N 435.451 4.768 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1C 170275023 MPYDONMKSZVRCV-HSZRJFAPSA-N 442.515 4.794 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1C 170275779 XXSVEQCVJAOXJS-HSZRJFAPSA-N 437.536 4.645 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccco2)cc1 170297457 IWMAHTHSNBCBMU-NRFANRHFSA-N 443.459 4.726 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2cccs2)o1 170298177 ROMKNPYBPUAKOI-OAQYLSRUSA-N 435.501 4.753 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C)o2)cc1 170308572 ULXFUKQXNZNVCY-JOCHJYFZSA-N 441.524 4.772 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)ccc1OC 170441144 MBIUYWZCBDJSAA-OAQYLSRUSA-N 439.508 4.623 30 10 IJEE C/C(=N\Nc1nnc(SCCCCOC(=O)c2ccccc2)[nH]1)c1ccc(F)cc1 253577217 WUHDIYUPOXFACY-BUVRLJJBSA-N 427.505 4.509 30 10 IJEE Fc1ccc(-c2ccc(C=NNc3nc(N4CCCCC4)nc(N4CCCCC4)n3)o2)cc1 254808572 SLBQNYJBJMDZNF-UHFFFAOYSA-N 449.534 4.697 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCC(F)(F)C2)nnc1-c1ccc(Cl)cc1 427342791 RUZBRDWBJQGNJZ-OAHLLOKOSA-N 426.920 4.571 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 460783594 PIKHUAPKNJEROL-SGNDLWITSA-N 448.567 4.878 30 10 IJEE C=CCc1cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC 505258387 UMTBWCTYZYTCAH-UHFFFAOYSA-N 431.414 4.889 30 10 IJEE COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2=O)cc1Cl 521373219 BEAICZCFRLMBRU-OAQYLSRUSA-N 447.878 4.757 30 10 IJEE Cc1ccc(-c2noc(CS(=O)(=O)Cc3ccc(-c4ccccc4C#N)cc3)n2)cc1 531405977 QOWVFGHTQDTUNL-UHFFFAOYSA-N 429.501 4.699 30 10 IJEE CC1(C#N)CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCCO2)CC1 549678414 NIXMUCHZYVISPI-GOSISDBHSA-N 446.020 4.923 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(CCC2=CCCCC2)Cc2ccc(C#N)cc2)c1 586140649 DJABEPJZRATNPM-UHFFFAOYSA-N 440.565 4.657 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2sc(CC)cc2C(=O)OCC)cc1 586682150 JMUXBYPSMIPNIP-UHFFFAOYSA-N 441.553 4.945 30 10 IJEE COC(=O)c1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)ccc1Br 611407324 LJDBNXRYNFJNGE-UHFFFAOYSA-N 428.069 4.666 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccccc1Br 642727330 OGSKQGWTHIXTIG-HXUWFJFHSA-N 438.373 4.944 30 10 IJEE CC#CC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686827436 YCANFHLHHYGPPA-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ncoc1-c1ccccc1Cl 745406316 XCBOBFSSQQWRNI-AWEZNQCLSA-N 430.913 4.817 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(OC)c(C#N)c2)cc1OCC 746742167 QISTVQZITPUAQN-UHFFFAOYSA-N 431.330 4.583 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2cccc(C3SCCS3)c2)CC1 782686253 ATIVHNPALKSVBA-UHFFFAOYSA-N 440.594 4.944 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)cc1 810161065 DMDGGJQVPGAGGG-GOSISDBHSA-N 437.849 4.691 30 10 IJEE CSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)/C=C\c2ccccc2)n1 1083900031 BYDZRBNNLGFNMN-VOZCIILUSA-N 438.582 4.759 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1124217504 HKCZMZSSBOQLNC-NTMALXAHSA-N 437.477 4.944 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](OC)c1ccccc1)c1ccc2c(c1)OCCO2 1124425769 FOLAJAZXPZKNQM-AREMUKBSSA-N 445.515 4.944 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc(C)c(Cl)c2)c(C(=O)OCC)c1C 1124820130 ADGOGYYLPNXZQL-UHFFFAOYSA-N 435.929 4.719 30 10 IJEE C#CCOc1cccc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 1126060759 SYUVRFWIKIOOTN-UHFFFAOYSA-N 447.331 4.833 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)CCCN1C(=O)OC(C)(C)C 1128338673 ZJJJLHQYWUIUJA-QHCPKHFHSA-N 442.947 4.566 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 1128811500 ZAAIGSYDRZZRLO-QHCPKHFHSA-N 436.600 4.764 30 10 IJEE C=CCCC1(CNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CCCC1 1131111393 IUSAUVNQGJMSBM-OAQYLSRUSA-N 425.573 4.606 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)n[nH]2)c1C 1136180766 NECCKAZSKAUIEF-UHFFFAOYSA-N 443.473 4.900 30 10 IJEE C=CCC[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1151867062 JDZMIVJAGDFALQ-WOJBJXKFSA-N 433.474 4.937 30 10 IJEE C=CCCCCCN(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1187181454 VXUZXVWNZAVVPI-UHFFFAOYSA-N 430.286 4.715 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(OCC)cc1)C(=O)OC 1188169457 HWEBXHJBBMYQMB-HXUWFJFHSA-N 439.537 4.551 30 10 IJEE CCOc1ccc(C[C@@H](C)CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 1202434416 GUBLJQCVMOZUTH-MRXNPFEDSA-N 437.931 4.796 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@H](CC)Oc2ccccc2C(F)(F)F)cc1 1210500321 YEDOYTPDHMYDAG-KRWDZBQOSA-N 427.488 4.960 30 10 IJEE C#C[C@@H](NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 1230477873 BEJKEKGGFIROCC-AREMUKBSSA-N 429.539 4.844 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(N(CC)C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1252479797 SXUICIRIJFJHEV-LJQANCHMSA-N 437.943 4.584 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccccc1Oc1ccc(F)c(Cl)c1)C1CCOCC1 1253348900 VFWUQZKVGPLPHT-NRFANRHFSA-N 430.907 4.841 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1)c1ccccc1 1265140669 WSWPZBRZKDVGSD-VWNXMTODSA-N 434.580 4.573 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(C(F)(F)F)cc1 1266463761 XATHBEWBGHRMDB-PXNSSMCTSA-N 447.413 4.930 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC(c3ccccc3Br)CC2)c(OC)c1 1269523668 WPOOLZJYBMNKHQ-UHFFFAOYSA-N 444.369 4.971 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CSCCS1 1286278461 DBUCZNUZTUTFHZ-RDJZCZTQSA-N 432.684 4.582 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C)C1 1286316427 KRAIPCIZUQBPRJ-RBUKOAKNSA-N 428.602 4.562 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCC[C@@H]2C)CC1 1286474272 GNKIVLORSIVDAX-LADGPHEKSA-N 449.643 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1286558894 RUGHWIAOBBPYRY-BWKNWUBXSA-N 437.632 4.563 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(I)cc2)CC1 1286646367 PRSIRTSCBTWRGZ-UHFFFAOYSA-N 448.352 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1286669397 DSYGUEMLARWYOY-SFHVURJKSA-N 427.549 4.721 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1286694903 JWMJPJAXBSBLKS-ICSRJNTNSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](COC)C1 1286696746 PRKNJVWTHCPWLY-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccs1)C1CC1 1286733800 IVJHEXRSPFOYEV-HSZRJFAPSA-N 430.618 4.513 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCc1csc(C(C)(C)C)n1 1286753622 GTSSATKJFROJGW-UHFFFAOYSA-N 432.597 4.992 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12 1299310585 XQKGRABCINDYLI-JXFKEZNVSA-N 431.552 4.614 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1300362941 VVGZSHVCZDTXBM-AWEZNQCLSA-N 438.416 4.644 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1CSC 1300421952 CYHSDKMLGFNPTP-INIZCTEOSA-N 439.412 4.909 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)Oc1ccc(C)cc1 1300441357 LVHWCSQEWLWBAG-HNNXBMFYSA-N 445.386 4.614 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1csc([C@@H](C)OC)n1 1300476089 FHJGRHPXLPDJBS-CQSZACIVSA-N 448.017 4.505 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1300637601 HVKLFKUYGIRGSW-OAQYLSRUSA-N 442.991 4.852 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCOC)CC(C)C 1300831971 CIKDCPITVFWHSA-UHFFFAOYSA-N 445.764 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(F)(F)F 1300876707 SBQUXGXFHAZXJF-DYVFJYSZSA-N 444.885 4.587 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1c(C)nn(-c2ccccc2)c1C 1300919069 TZYKLRJRBCDXKE-UHFFFAOYSA-N 441.583 4.517 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC1CCN(C2CC2)CC1 1300925445 VZWZSLLWMYFNMO-UHFFFAOYSA-N 444.023 4.787 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H](OCC)C2CCCC2)CC1 1301072093 CXEAUAUOESZYFB-QFIPXVFZSA-N 439.560 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OC)C1 1301141349 KTDPOGLUNPSOGV-OAHLLOKOSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1301160486 SPXIIJJANQZPEM-XMMPIXPASA-N 442.629 4.801 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)CCC)C1)c1ccccc1 1301162829 CQCYNZLRVAFNOH-YADHBBJMSA-N 446.599 4.518 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCC=C(Br)C1)c1ccccc1 1301168712 UMWOXMXBFRPRPG-SFHVURJKSA-N 431.378 4.663 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)CC1 1301176534 CRJDWBUEHPYRHN-XMMPIXPASA-N 428.577 4.714 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1301245932 KIQFZNLJIFHFIO-PMACEKPBSA-N 445.007 4.834 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCC2)C1)C(C)C 1301368193 YUMQVHVAWIJFFA-XMMPIXPASA-N 444.627 4.896 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)c1ccsc1 1301383458 IEQXGKGQXKWZTO-XMMPIXPASA-N 447.564 4.748 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(F)cc1F 1301436069 LLYCXEUNNPWGEL-UHFFFAOYSA-N 425.302 4.870 30 10 IJEE C=CCC[C@@H](C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21)c1ccccc1 1302619314 CAQIURNLZYVUGZ-AZUAARDMSA-N 430.470 4.935 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc4c(c3)OCCN(C(=O)OC(C)(C)C)C4)cc21 1304216962 ZJLCAEHORRSFQX-UHFFFAOYSA-N 448.523 4.604 30 10 IJEE C=CCn1c(SCCc2nnc(C)o2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1307251636 FUOFUPUWYLSSLY-UHFFFAOYSA-N 442.541 4.785 30 10 IJEE FC(F)Oc1ccc(CNCc2cccc(OCC(F)(F)F)n2)c(OC(F)F)c1 1308395471 ACPDJOQQQCHHSP-UHFFFAOYSA-N 428.304 4.515 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(Br)sc1Cl 1309417156 CUJMRPOGPLXFIU-UHFFFAOYSA-N 436.780 4.863 30 10 IJEE CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H](C)Cc1ccc(C#N)cc1 1347947012 FZGVRAYQVBUZQU-OAHLLOKOSA-N 432.351 4.921 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3ccc4cncc(Br)c4n3)cn2)cc1 1355411122 DLQWBWUQWOYESQ-UHFFFAOYSA-N 446.264 4.704 30 10 IJEE C#Cc1ccccc1CC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1357120904 SFLXFHAYZHSSBT-XMMPIXPASA-N 446.641 4.910 30 10 IJEE C=CC[C@@]1(C(=O)Oc2cc(Cl)cnc2Br)CCCN1C(=O)OC(C)(C)C 1357844228 TWKMWKFJMMXSPR-SFHVURJKSA-N 445.741 4.749 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1sc(C)nc1C 1358878855 FUBHWXQSUZFTPG-ZDUSSCGKSA-N 444.402 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1CCCC[C@H]1C 1358891694 LCEQEJZDCUDDQB-VQTJNVASSA-N 428.024 4.635 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCc2ccccc2F)CC1 1358912201 KYNWJKNUCVEZCN-QHCPKHFHSA-N 440.563 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CSc2ccccc21 1358998837 VLZHYWHUNJETRV-KJXAQDMKSA-N 448.636 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@H](OC)C(F)(F)F 1359111964 UDQDAKMUKCYOTM-IBGZPJMESA-N 449.477 4.970 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359124350 YDYSUDSTNIKRQR-OAQYLSRUSA-N 426.605 4.982 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccncc2Cl)CC1 1359161022 NFJRVNHPEDJOTF-UHFFFAOYSA-N 431.874 4.800 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2ccccc2F)CC1 1359180680 OFKWRUZEBPRGTK-UHFFFAOYSA-N 425.577 4.808 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359223802 WLQPHZSPNWJGMV-REWPJTCUSA-N 437.632 4.508 30 10 IJEE C=CCN(C)c1nnc(-c2ccccn2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1359237384 WVAJJLWQRYMKBZ-UHFFFAOYSA-N 434.544 4.552 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCc1ccc(NC(C)=O)cc1 1359275888 JVQBJQOZRZKZHU-UHFFFAOYSA-N 435.572 4.605 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(C)C 1359337990 IBZAOZJEJYBINH-UHFFFAOYSA-N 427.387 4.858 30 10 IJEE C=CCc1ccc(OCC(=O)N(CC=C)Cc2cc(Br)ccc2F)c(OC)c1 1434996109 MYDZIZVTZDJGJL-UHFFFAOYSA-N 448.332 4.919 30 10 IJEE C=CCC[C@@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccc(C(F)(F)F)cc1 1435635177 OLWYQQXWOWBQRM-QGZVFWFLSA-N 439.507 4.723 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 1445047147 GRBCXDRZDYBNCY-PGRDOPGGSA-N 436.552 4.846 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1cc(Br)c(Br)s1 1450368562 YWUGIQPFOBUXOO-ZDUSSCGKSA-N 449.208 4.732 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc1OC 1458968844 RGLHDLCGNRPZRU-SDQBBNPISA-N 435.442 4.829 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCC(c4ccc(Br)cc4)CC3)C2=O)cc1 1460010189 ARPJEVMHXLHBEU-QFIPXVFZSA-N 438.369 4.696 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)C(C)C 1464871393 OTXYBOHOFOOQIU-OAQYLSRUSA-N 445.007 4.512 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C 1466355924 LFLCVUHCGKIBJN-GOSISDBHSA-N 431.533 4.897 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1ccccc1OCc1ccccc1Br 1467727856 SVTCEOVNUCBKLF-UHFFFAOYSA-N 431.374 4.608 30 10 IJEE C=CC[C@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C)c1ccncc1 1468886558 ZYPADJZPRJCSJG-ICSRJNTNSA-N 428.577 4.520 30 10 IJEE CC(C)(C)Oc1cccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 1477131560 GZYSRHUTNWSWMQ-UHFFFAOYSA-N 429.524 4.638 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)CCS1 1494235357 FZVZTGHXBHISHJ-SJLPKXTDSA-N 431.556 4.974 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1507555920 XIGWSKXSOZCLCO-LJQANCHMSA-N 440.588 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1507818994 YRCZZMHOTGMGPS-ROUUACIJSA-N 428.577 4.568 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507830859 IQRBFZRLXLIAQC-QFIPXVFZSA-N 425.596 4.677 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(OC)c(C)c1 1507940347 ZUSGCBKUWFUSRV-UHFFFAOYSA-N 444.377 4.955 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN1CCCC[C@H]1C 1507973894 AUSHJIAJVKDYPV-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CC[C@](C)(CC)O1 1508037748 OMQWLXWIDZCPGJ-IBVKSMDESA-N 449.599 4.788 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCc2c(F)cc(F)cc2C1 1508046958 JTBHKNPDKNTZKH-UHFFFAOYSA-N 437.313 4.796 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1508124328 OUTIOQPGINSYAX-CADBVGFASA-N 442.526 4.670 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCC1(F)F 1517123844 DVUUAZOMMVFATK-HXUWFJFHSA-N 436.510 4.597 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 1526776984 IAZYAOSRXOSABK-FZMZJTMJSA-N 436.726 4.749 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ncc(Cc3c(F)cccc3F)s2)c(OC)c1 1532749925 HASGMWRHLLRHLE-UHFFFAOYSA-N 430.476 4.767 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCn2c(=O)n(CCC)c3ccccc32)c1 1537134003 HEZYYXWSQIFGDG-UHFFFAOYSA-N 437.543 4.818 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C=C)CC1 1539066153 PQQQHBBETIPLSW-OAQYLSRUSA-N 441.620 4.599 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC=C)CCc1ccccc1 1539097525 QGANFRYYDWDDQQ-UHFFFAOYSA-N 438.373 4.684 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCC[C@@H]1CC 1539338180 PQFPYMKWESRTPI-SFTDATJTSA-N 436.625 4.868 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC(C)C)nc1 1539350256 FUWQOVUYLTWCCP-GOSISDBHSA-N 449.624 4.821 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1539402389 BIPIJEBASSNDCL-PZJWPPBQSA-N 445.007 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(CN2CCCCC2)cc1 1539660146 UPGUUTFSQAWLRR-UHFFFAOYSA-N 430.600 4.777 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1539790160 DIKBRZIDBCGSOD-CQSZACIVSA-N 448.980 4.540 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1539891379 AJIMRMILNFBUTB-HXUWFJFHSA-N 431.584 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1539908786 AKJKEKPCVUEKQJ-UHFFFAOYSA-N 435.616 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1539929632 ZARDZHYKWBXIPZ-UTKZUKDTSA-N 428.552 4.602 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nnc1C(C)(C)C 1539931861 QYVPEYBIYRNLGY-FQEVSTJZSA-N 437.632 4.824 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC=C(Br)C1)c1ccccc1 1539939607 JGRKPMACRDEIRL-MOPGFXCFSA-N 443.389 4.631 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1C(C)(C)C)c1ccccc1 1539949127 VJTNNZHZAYSPLK-UNMCSNQZSA-N 437.632 4.629 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1540087740 AHVPFHKNPCEQQQ-KRWDZBQOSA-N 443.020 4.929 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)[C@@H](C)CC 1540122662 YNKZXVCSZSCJEB-BVZFJXPGSA-N 433.556 4.708 30 10 IJEE C=CCC1(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCOCC1 1540671244 JJSXSZKWXKSZRI-QFIPXVFZSA-N 448.563 4.806 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC)C1 1540916014 RBCVNRNHKUXSJJ-MOPGFXCFSA-N 449.665 4.548 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1541118663 FJNBLRZMKOVHAW-RQTOMXEWSA-N 448.659 4.907 30 10 IJEE C=CC1(CC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)CN(C(=O)OC(C)(C)C)C1 1543328536 WYDZDNCTSPLLTH-UHFFFAOYSA-N 437.584 4.996 30 10 IJEE C=C(Cl)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CCCC 1559310511 HXGPVAXMJIBTRV-UHFFFAOYSA-N 428.023 4.856 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1C 1559881184 DCFSIABHHIZXBA-UHFFFAOYSA-N 448.567 4.812 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C2c3ccccc3-c3ccccc32)cc1 1562197199 GAPYSMFYKCMPFC-UHFFFAOYSA-N 447.560 4.727 30 10 IJEE C=CCCSCCNC(=O)Nc1nc(Cc2ccccc2Br)cs1 1562533906 HDVVSECUUMOCKK-UHFFFAOYSA-N 426.405 4.927 30 10 IJEE C#C[C@H](NC(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(Cl)cc1F 1565002266 IUUAAXNJZIZSNM-FUHWJXTLSA-N 449.231 4.556 30 10 IJEE C#CCN(CC(=O)Nc1nc(-c2ccc(CC(C)C)cc2)cs1)C(=O)OC(C)(C)C 1565625340 KMJCYBDHGCBFQD-UHFFFAOYSA-N 427.570 4.817 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](COc3c(C)cccc3C)C(C)(C)C)n[nH]2)c1C 1566414305 WWVNSQGRTVRSEL-JOCHJYFZSA-N 449.599 4.916 30 10 IJEE O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)c(O)n1 1568347598 GZUQYRGKTCWPMW-UHFFFAOYSA-N 430.251 4.721 30 10 IJEE C#CCCOc1ccc(C(=O)O[C@H](c2cccc(Br)n2)C(F)(F)F)cc1 1583740369 ZWVHZOQCLUQASN-MRXNPFEDSA-N 428.204 4.707 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(CN2CCCCCC2)CC1 1587778034 ZMZSMJLZOKEQAE-UHFFFAOYSA-N 439.673 4.826 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1587807317 BBVCCQBFZMPFLO-INIZCTEOSA-N 439.922 4.582 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1588105239 RDSKWGLIKXZWSZ-DHIUTWEWSA-N 445.655 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(COC)CCCCC1 1588251908 ZYGDFLGKMJUYIF-UHFFFAOYSA-N 448.611 4.534 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1589715130 FAMIFHYPWVRASH-OAQYLSRUSA-N 449.624 4.728 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(F)cn2)CC1 1594127638 CKYWWHWYLWWLSR-UHFFFAOYSA-N 435.547 4.893 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(C)C)CC1 1594181515 NERDGOSXTKGOLN-UHFFFAOYSA-N 444.023 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@H](CC)C1 1594473520 VAHSVNDLIHNIDZ-GOSISDBHSA-N 430.618 4.896 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(CN(C)C)c1 1594895939 QHSPMFCIKXXCEA-GOSISDBHSA-N 435.641 4.864 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1Cc1cc(C)no1 1595165230 CYHZBCGMJMKDNJ-UHFFFAOYSA-N 435.553 4.764 30 10 IJEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1oc2ccc(F)cc2c1C 1595307976 RVXAEQJHPBEUFX-UHFFFAOYSA-N 426.536 4.892 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595878132 JCFQPADTSWDDEY-HKUYNNGSSA-N 449.665 4.594 30 10 IJEE C=CCC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1O)c1ccc(C(F)(F)F)cc1 1597058836 VRDLTLTVNHOSMQ-LJQANCHMSA-N 434.458 4.663 30 10 IJEE C=CCCSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1-c1ccc(OC)cc1 1613289500 HGLYWHXJCSWNGZ-UHFFFAOYSA-N 445.610 4.733 30 10 IJEE C=CCSc1ccccc1NC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] 1613749941 JGXBXYWXZSVVLV-UHFFFAOYSA-N 441.278 4.792 30 10 IJEE N#CCCN(C(=O)CCC(=O)NCc1ccccc1SC(F)(F)F)c1ccccc1 1616936197 GPLJEJMAEXCOCH-UHFFFAOYSA-N 435.471 4.642 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2cccs2)n1CC)[C@@H]1CCCc2ccccc21 1617567075 PWTCXYBCCCFNFE-LJQANCHMSA-N 436.606 4.658 30 10 IJEE C=CC[C@]1(C(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)CCCN1C(=O)OC(C)(C)C 1617684882 IAVWOUJYVFPJTB-NTKDMRAZSA-N 430.593 4.816 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cccc(NC(=O)c3ccncc3)c2)cc1OC 1620742502 INEVUEGZOJJZHW-UHFFFAOYSA-N 437.927 4.851 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](CC(C)C)C(=O)OC(C)(C)C)cc1OC 1620855442 WXDDNPFBEKNVBP-QGZVFWFLSA-N 442.394 4.869 30 10 IJEE C=CCC(C)(C)CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1622174820 PVMRCPCZUSRZQF-XZOQPEGZSA-N 447.044 4.830 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)CC1 1623484538 MEVAHFNMWQBEMI-UHFFFAOYSA-N 431.895 4.666 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 1624745239 KLYGZYDLJCHDQG-QGZVFWFLSA-N 438.952 4.991 30 10 IJEE C#C[C@H](C)NC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1625828822 YWRYSRNMIMPHRS-PMACEKPBSA-N 430.548 4.566 30 10 IJEE C=CCNc1ncc(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 1630933850 YHFJFRVCVKBESU-KRWDZBQOSA-N 435.475 4.577 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1632411742 APFATJCLQCVVDA-VWNXMTODSA-N 440.609 4.882 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](CF)C1 1633199774 RBTNZWFSYKRVNN-HOYKHHGWSA-N 436.527 4.678 30 10 IJEE CC1(C)C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c2cc(F)ccc2O1 1636673538 BSFOLYXYCKNUNN-HXUWFJFHSA-N 441.478 4.692 30 10 IJEE C#CCN(C(=O)/C=C/c1ccccc1O[C@@H](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1638330700 AXJZQQJSLBTOIK-AIGDTVQASA-N 440.584 4.738 30 10 IJEE CCOc1cccc([C@H](C)NCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)c1 1642464569 ICRIAUONYDPROW-IBGZPJMESA-N 442.563 4.916 30 10 IJEE C=CCCC[C@H](NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccccc1 1644332526 IYDQCBFLKMXMGS-QHCPKHFHSA-N 437.609 4.501 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 1644504628 NYRURQPAUMPAER-CQSZACIVSA-N 435.337 4.995 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Nc2ccccc2C#N)CC1 1647923022 KMEPAMQRJRSZLO-UHFFFAOYSA-N 429.442 4.859 30 10 IJEE C#CCN(CCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCOc2ccc(Br)cc21 1652516606 YCXSZDUAAHWKCY-LJQANCHMSA-N 447.760 4.890 30 10 IJEE COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(C#N)c(C)c2)cc1 1656507788 GOURTQVENNRXIC-VWLOTQADSA-N 425.488 4.632 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 1656728835 PJUVUOOBFONPPR-OAHLLOKOSA-N 449.776 4.545 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCC1(C)C 1657619310 VUVRIHGXOYGROP-OAQYLSRUSA-N 433.618 4.850 30 10 IJEE C#CC[C@@H](NC(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1)c1ccccc1 1659769054 ZCNHMGJGNDTMAR-JOCHJYFZSA-N 428.488 4.938 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 1661393271 NYIAWQXIXVUUAJ-UHFFFAOYSA-N 439.459 4.638 30 10 IJEE C=CCC[C@H](NCc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1661985747 DSBRFZRFGURCSC-IRLDBZIGSA-N 425.577 4.647 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(c3cccs3)CCCCC2)cc1 1665968842 HRBQGBHOQZTIJI-UHFFFAOYSA-N 447.626 4.578 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 1668205664 SWPXGHJWBJKNGQ-UHFFFAOYSA-N 447.457 4.913 30 10 IJEE CC[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)NCc1cccs1 1668949822 BKYBFWPUBDXFHQ-NRFANRHFSA-N 434.521 4.629 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N[C@H]1COc2cc(F)ccc2C1 1669035530 DOALEVPZXMSSBN-WBMJQRKESA-N 436.327 4.751 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1671424697 FDGRMMQSHQFFMN-AOYPEHQESA-N 430.596 4.782 30 10 IJEE COC(=O)C[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c1ccc(SC)cc1 1671569840 CDHBTTCXEQDAGK-IBGZPJMESA-N 441.553 4.883 30 10 IJEE CC(C)(C)c1csc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1C#N 1672201530 AVTJGDMFWRYZGV-IBGZPJMESA-N 447.004 4.766 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCSCC(F)(F)F 1680402396 LXWQSOLHMSYWOG-UHFFFAOYSA-N 429.277 4.581 30 10 IJEE C=C1CCC(CNC(=O)NCCOc2ccc(Br)cc2C(F)(F)F)CC1 1681029127 OSDSOWOZIOLCPA-UHFFFAOYSA-N 435.284 4.892 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)cc(OC)c1OC 1683367226 KJGJPJSEWGKMEZ-HXUWFJFHSA-N 446.588 4.618 30 10 IJEE C#C[C@H](NC(=O)N(CCC)[C@H](C)CC(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1686922655 MYJQTDIZKJWPGJ-IERDGZPVSA-N 429.923 4.992 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](CC)C1 1689892211 APUVZCPBUBXXAF-FQEVSTJZSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)Cc1cccs1 1690001261 IFYYSLHYLPTACG-MOPGFXCFSA-N 436.556 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1([S@@](C)=O)CCC1 1690258666 OWPGYHWFAFCQLS-NOVUIFNWSA-N 446.686 4.835 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCCCC)C1)c1ccccc1 1690324278 NDBMKZKACBOHSX-JOCHJYFZSA-N 437.632 4.713 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(F)(F)CC1 1690327971 BTUNMUOSPYRSDK-OAHLLOKOSA-N 426.895 4.805 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](CC)N2CCCC2)CC1 1690364405 PVAILALHGVKZJK-VQTJNVASSA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOCC2CC2)CC1 1690367093 AXHVIYBFLJDTQV-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2oc(CC)nc2C)CC1 1690369784 YIXXJELWVILSQM-UHFFFAOYSA-N 442.361 4.771 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1690434709 DKGJYQQPMBHDKC-AREMUKBSSA-N 431.584 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1690435114 RNZJSIUHPRWQHU-NZQKXSOJSA-N 431.584 4.833 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1690519449 JSHQEBDDZGDYSZ-KNQAVFIVSA-N 445.405 4.843 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1690553658 BTRREKKQCPMHGD-ISJBWFOZSA-N 438.616 4.718 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC1CCN(CCC)CC1 1690563111 HETBSORXBPLXFE-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CC[C@@](C)(CC)O2)C1 1690689943 OJJLOTYONCPQDI-TXTKFYIRSA-N 430.980 4.728 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccco2)C1 1690711533 CLGCDUPNBZPPRR-QFIPXVFZSA-N 436.556 4.577 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(C)C)CC1 1690740223 NHPHQXZLGOCFOB-UHFFFAOYSA-N 436.629 4.922 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccsc2)CC1 1690749832 QWBFJIJCEWDRAT-UHFFFAOYSA-N 442.658 4.504 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCC[C@H]1C 1694238874 IBPMHXMQCOPNMU-ZJSXRUAMSA-N 434.632 4.824 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccsc1)N(CC)CC 1705608555 WGLXFNQJZGBULL-IBGZPJMESA-N 443.020 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](C)C1 1705695609 COZHIWOTFHMFRS-VAWZGJIGSA-N 440.588 4.644 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705738952 PSXIDXPOTKFDON-UHFFFAOYSA-N 438.547 4.783 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCSc2ccccc2)CC1 1705761656 WCCHLJPMLAXETG-UHFFFAOYSA-N 427.618 4.535 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705795329 HNLGINZGLUSDPY-YPAWHYETSA-N 429.653 4.823 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CC(C)(C)OC[C@@H]1C 1705809531 ULPJUJLSXGBLOT-SFHVURJKSA-N 430.618 4.939 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705826686 ZSXGTIJPIHXEDW-OAQYLSRUSA-N 440.979 4.538 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCc2ccccc21 1705836417 SKJUXLCDBXTSQL-MRXNPFEDSA-N 426.362 4.778 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)s1 1705864842 AOKIPBDWSDLEEW-UHFFFAOYSA-N 430.990 4.696 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C 1705867902 XSWXTNURTVPDBW-MQSCRBSSSA-N 439.673 4.974 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1705946804 RIBJQXJMMOFQKN-UHFFFAOYSA-N 444.645 4.842 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1706747023 HMCWOHDLVGFXKV-PGYGNJIDSA-N 427.568 4.730 30 10 IJEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)CCO1 1708855601 ANKPREITJQZGQE-BVAGGSTKSA-N 444.583 4.657 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1722308286 JXSJEDWSCFVPNH-GCJKJVERSA-N 438.503 4.532 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1SC 1722319607 OMHPXOQCEFJIJJ-UHFFFAOYSA-N 444.608 4.678 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722452259 OEKUVNJFYZDZJI-IBGZPJMESA-N 433.021 4.749 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CC(C)(C)C1 1722507106 XUAFSSJHJPJGEQ-UHFFFAOYSA-N 428.577 4.810 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1722522492 SBNZIIPPVKPVMP-LJQANCHMSA-N 439.535 4.611 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1722579539 HVFGCMGNAZWWFD-MRXNPFEDSA-N 435.380 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722589926 QUUFTLGSXBHTMW-CTNGQTDRSA-N 428.552 4.746 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1722618901 OXNMLPDAJMAAKL-UHFFFAOYSA-N 444.551 4.663 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ncc(C)s1)C1CC1 1722653564 HZEMRUHXHQTGCK-KFKAGJAMSA-N 429.634 4.920 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1CC 1722664015 NVQZEORMNJUQIJ-HXUWFJFHSA-N 439.604 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CSCCS1 1722688370 AAOQNPIPQWUABF-HXUWFJFHSA-N 430.643 4.501 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)CC1(C)C 1726603055 BHAWCOXLVDAEKL-HXUWFJFHSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1740533321 QLOFOGLUNOBOTO-BJLQDIEVSA-N 445.007 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCOC1CCCC1 1740535650 SSQBILBUYJFKSG-MSOLQXFVSA-N 430.980 4.879 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740666359 MHMYKIANPIMKMX-NFBKMPQASA-N 431.584 4.794 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1740746034 CKOVIZIGCPMPTR-HUUCEWRRSA-N 446.418 4.589 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C 1740753781 ODVXMHBFILMVSI-IEZWGBDMSA-N 431.378 4.678 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1740791662 OYFWBSFKUZZDIP-NZQKXSOJSA-N 434.588 4.738 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740814930 IHMRCUFXBNYMDV-QFBILLFUSA-N 441.790 4.938 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740816185 XTJNELHUDDGMJO-QAPCUYQASA-N 439.412 4.982 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2ccccc2)C1 1740870787 JZBZSZBSSXMJMW-LJQANCHMSA-N 442.361 4.580 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ncc(CC)s1 1748798856 BAKQOLLWASZQAZ-UHFFFAOYSA-N 432.018 4.555 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1Cc1ccnc(C(F)(F)F)c1 1748915384 XMEIKODEICJSKK-UHFFFAOYSA-N 425.414 4.613 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC[C@@H]1C 1748951452 VMOQNESWOKUEGV-NZQKXSOJSA-N 445.611 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC(C)(C)CN1CCCC1 1749060961 GVSSZXQNYVCVEI-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1csc(CC)n1 1749137226 XBRUBNWFQFQHMX-AVRDEDQJSA-N 429.634 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CN(C2CC2)C1=O 1749146964 UIUTTWUOBGKJAZ-QFIPXVFZSA-N 448.398 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(OC(F)F)c1 1749162597 QUUQHDWWANGHAJ-UHFFFAOYSA-N 447.917 4.969 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCCOC)CC1 1749287796 BCESFFSTTSFRGG-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(Cl)s2)CC1 1749294353 XMSZBWOZZBBVEA-UHFFFAOYSA-N 430.961 4.882 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CCc1sc(C)nc1C 1749537873 PHVZLEIOXFUWRK-UHFFFAOYSA-N 444.608 4.773 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CCC(=O)NC1CCCCC1 1749563326 CPHOVXOELSPPBD-UHFFFAOYSA-N 433.556 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccccc1Cl 1749578509 AEMMTKHFSYOQCZ-QFIPXVFZSA-N 428.989 4.670 30 10 IJEE Cc1ccc(Cn2c(N3CCC(Oc4cccc(C#N)c4)CC3)nnc2C(C)(C)C)s1 1751526841 BRNBRDWRUFFUNX-UHFFFAOYSA-N 435.597 4.913 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2nc(C)no2)CC1 1760145681 SZANITQORIWFFM-LJQANCHMSA-N 448.571 4.524 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C1CCN(CCC)CC1 1760149682 PPAYHBIUZFLQPR-UHFFFAOYSA-N 434.415 4.976 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCS1 1760198766 OQXHWLWNBXFEQF-IBGZPJMESA-N 436.581 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N(CC)CC 1760332030 SSZRDIZYOJDKJJ-KRWDZBQOSA-N 434.426 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760368471 CUGLVCLAPMLSOX-SFHVURJKSA-N 441.963 4.577 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 1760368560 GLLMXMURINHXGR-VXGBXAGGSA-N 446.176 4.727 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(CC)C(C)C)CC1 1760398442 YPEBZRRZKWXHQD-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](COC)C1 1760409288 PXEUXRLZCGJZOX-SFHVURJKSA-N 427.549 4.709 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)OCCCO2 1760419285 NIWKWVAQBUOJRI-OAQYLSRUSA-N 440.588 4.564 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cccc(F)c2[C@H]1C 1760430779 TYEKMVXSKSFBSE-LZNRXBQRSA-N 428.552 4.621 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)OC 1760485830 RMVUELMZGXCKCZ-OAHLLOKOSA-N 447.402 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCO1 1760488391 UAYGCECBIYLZEE-FQEVSTJZSA-N 438.597 4.907 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1cc(CC)n(Cc2ccccc2)n1 1860999893 CDFKBSYCWNZNQJ-XMMPIXPASA-N 438.616 4.575 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1C(=O)O 1862545563 CQHXVJGKYFGIRT-QRQCRPRQSA-N 433.504 4.640 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1F 1862662100 HLXXZQUYUSGIOF-HSZRJFAPSA-N 438.543 4.869 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862677581 CWQOLWDRJAAELC-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862946348 JKWYNFQGQGZNQD-UHFFFAOYSA-N 445.425 4.550 30 10 IJEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1 1863118992 WDOMZSBFLUNCSH-UHFFFAOYSA-N 425.513 4.895 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccccc3C#N)=C(c3cc(C)ccc3C)C2=O)cc1 1863408768 NQSJQIWWKUONCZ-UHFFFAOYSA-N 435.527 4.918 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCCO)C1=O 1863682267 MZNOZOKJGMJYAE-UHFFFAOYSA-N 444.616 4.668 30 10 IJEE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)c1ccc(C#N)nc1 1866038733 XUAHLLLJLQPZAJ-UHFFFAOYSA-N 431.517 4.990 30 10 IJEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1870152992 VRMBKDVMCHOVDG-SAPNQHFASA-N 449.514 4.932 30 10 IJEE C=CCOc1cn(Cc2cccnc2)c(CSc2ccc(Br)cc2)cc1=O 1870244383 MOKZTBKZLGWAHY-UHFFFAOYSA-N 443.366 4.911 30 10 IJEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CSc1nccn1C 1870266722 LGCFROOAUIUTFX-UHFFFAOYSA-N 449.617 4.567 30 10 IJEE CCCCCCCOc1cn(CCCOC(C)C)c(CN2CCC(N(C)C)CC2)cc1=O 1870411588 GIXISLLKLIMHOA-UHFFFAOYSA-N 449.680 4.539 30 10 IJEE CCCCCCCOc1cn(CCCCc2ccccc2)c(CN(C)CCO)cc1=O 1870413131 SJJPKVOFDZFKPF-UHFFFAOYSA-N 428.617 4.645 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCCCC)cn1CCC(C)C 1870420436 OQMYFIOJUMPNBP-UHFFFAOYSA-N 432.605 4.571 30 10 IJEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871372621 BIBCVGUEPKWLQO-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871886500 XORVMZARPUBINZ-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)C1CC1 1871945900 MFIKRJGWNVWOLT-GOSISDBHSA-N 433.401 4.717 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872055338 VXVMQKWTQPLWCT-NRFANRHFSA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872087504 OSOWJUVCSQLAHN-FOIQADDNSA-N 438.590 4.816 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccccc1 1872567854 UOUTZEQAAYZRDO-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(N(CC)CCc3ccncc3)ncnc21 1873663517 CZABXXUMHQLFFF-UHFFFAOYSA-N 440.551 4.642 30 10 IJEE CC(C)c1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCCO)cc1 1874264249 NYPMNYBBIULLAE-YDZHTSKRSA-N 430.961 4.601 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874353324 DMXGJDOLMLORHM-SSDVNMTOSA-N 449.349 4.891 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccn2)cc1 1874426530 MUDGAOJCSJPTEK-WGOQTCKBSA-N 442.548 4.516 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2F)c1 1874487528 OIIIJRKGUWAYLD-BRJLIKDPSA-N 443.523 4.676 30 10 IJEE C=CCSc1nncn1/N=C/c1cc(Br)c(OCCCCC)c(OC)c1 1874539306 XSGXPMYGDUPJAJ-CIAFOILYSA-N 439.379 4.779 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCc2ccc(Cl)cc2)cc(Cl)c1OC 1874566299 RHUBDGHFERQENI-SSDVNMTOSA-N 437.352 4.558 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCO)c(OCC)c2)c(OCC)c1 1874632413 WDPDUTMENUYLNN-JXMROGBWSA-N 434.916 4.803 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1OC 1874693969 FZSNSIKDZDOXMB-JXMROGBWSA-N 436.435 4.967 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 1922106488 DEYQWHCWMLGSBG-WIOPSUGQSA-N 432.605 4.544 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 2078849738 YTARYKLZXRFONO-DVECYGJZSA-N 445.560 4.976 30 10 IJEE CC[C@@H](c1ccc(OC)c(F)c1)n1nc(C2CCC2)c(C#N)c1I 2080103856 NBNNAZCGJNEUJR-HNNXBMFYSA-N 439.272 4.774 30 10 IJEE COC(=O)[C@@H]1C(=O)C(C)=C2O[C@]3(C[C@]2(C)[C@@H]1C)[C@H](C)CC[C@@H]1C(C)(C)C(=O)CC[C@@]13C 2080459291 XKJJMXDQESYKLS-OYGBXPKSSA-N 430.585 4.875 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1cc(Br)cc(C#N)c1 2105982711 DFGMIXLLARMVDN-QGZVFWFLSA-N 430.293 4.767 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111259033 NILHUWDDZJAIEL-ROUUACIJSA-N 443.813 4.848 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNc2cc(Br)cc(F)c2C#N)C1 2111963165 TXLDBVZUXADTIG-CKSWESSHSA-N 430.293 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC1CC1)c1cc(Br)ccc1C#N 2174813475 WVSDCQSDEMCOIZ-GOSISDBHSA-N 434.378 4.937 30 10 IJEE CC[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCN(C(=O)OC(C)(C)C)C1 2180960773 GUNJFPRBDVEWMW-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)C1(C)C 2186215128 RMZXCABVCGARRY-XJKSGUPXSA-N 436.350 4.589 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C[C@H]1CCCCN1Cc1ccccc1 2219963138 FVESLZOWXSTFNQ-JOCHJYFZSA-N 440.462 4.534 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1(CCNC(=O)OC(C)(C)C)CCC1 2235748182 XIXBUPAFUFZVGU-IBGZPJMESA-N 435.406 4.864 30 10 IJEE C=C(COCc1ccccc1)C1(OCC(=O)O)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2262201059 XUGVGQYZESNUBA-DQEYMECFSA-N 435.564 4.532 30 10 IJEE C=CCCC1(C(=O)Nc2ncc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266309586 GRUBZLRQUICAOJ-UHFFFAOYSA-N 444.757 4.639 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CN(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CC1)CC2 2267502155 JQGRFRIVYDWFOF-UHFFFAOYSA-N 442.365 4.545 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2267579347 QVDFYRIBGYWWLL-PGDQXMHPSA-N 439.405 4.701 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1 2268719414 DFRXDOZLSXWJDZ-SFHVURJKSA-N 446.328 4.623 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2ccc(Br)cc2)cs1 2278794818 ZDGSAJIZGMYCAA-BLLLJJGKSA-N 437.359 4.576 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc(Br)c2C#N)[C@H](C(F)(F)F)C1 2281039194 AFHJMWZMVFXMEF-ABAIWWIYSA-N 448.283 4.745 30 10 IJEE Cc1cc(C(=O)N2CC[C@@]2(C)CCOCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2282701988 ZRJOMMFCUZVRMF-MHZLTWQESA-N 449.400 4.506 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@@H](O)CC#CC1CCCC1 2289924187 HVMZNIVSOYAHCM-UXHICEINSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C#Cc2cccc(Br)c2)C12CCCC2 2296217128 QXZFBJQMVVIMPQ-JOCHJYFZSA-N 434.374 4.875 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C#Cc2cccc(Br)c2)C(F)(F)CC1 2296233499 YDLZILLMIFNRIO-LJQANCHMSA-N 444.316 4.588 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@@H](O)C#Cc2ccc(Br)cc2)C1 2296273594 PPWIGHZKXYHLEB-MOPGFXCFSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296277314 QRJJGSLPURBNQJ-WOJBJXKFSA-N 428.326 4.528 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 2306530445 XDYOCJMXXMZRSA-NLFFAJNJSA-N 428.573 4.603 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=Nc1ccncc1Cl 2314542826 PKMMLMLUNLAKPB-UHFFFAOYSA-N 429.929 4.932 30 10 IJEE C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2317354962 SUFREIQJDSALCF-INIZCTEOSA-N 432.370 4.797 30 10 IJEE CC(C)[C@@H]1C[C@@](O)(C#Cc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321508894 SWJDUUXQBGSNAM-GMAHTHKFSA-N 442.353 4.599 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2322969015 JQHRPVTZMBGCMF-UHFFFAOYSA-N 431.419 4.928 30 10 IJEE CCCCCCOc1c(OC)cc(C=NNc2nc(C)c(C(C)=O)s2)cc1[N+](=O)[O-] 2323858069 ANRMBBXOGCZGSZ-UHFFFAOYSA-N 434.518 4.976 30 10 IJEE Cc1c(OC(=O)CCc2cccs2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2323972722 OFTQCDOSSBDSAX-UHFFFAOYSA-N 434.469 4.940 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)c1 2325019348 OCIFQJDQHKQIOH-KRWDZBQOSA-N 429.472 4.568 30 10 IJEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)o1 2325628118 SQWTVXFYVZUMLW-AWEZNQCLSA-N 434.404 4.518 30 10 IJEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1[N+](=O)[O-] 2325722431 PNEVEEYSMMDLBH-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(F)cc1F 2326200100 FOOCOLXOEUZMIX-UHFFFAOYSA-N 444.507 4.519 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccnc1 2328243727 AXZLQQOINZIDMM-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2F)nnc1[C@@H]1CCCO1 2330961381 IPGFYBFIHNWPPS-SFHVURJKSA-N 432.908 4.802 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331421732 MUAZZSACDUMUPT-UHFFFAOYSA-N 442.416 4.626 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1F 2331456489 UAVJTESTORMDRI-HXUWFJFHSA-N 449.272 4.577 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(SCC(=O)Nc3nccs3)nnc2C2CC2)cc1 2331741055 IPLPAKOZRLHBLR-UHFFFAOYSA-N 440.598 4.523 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339574367 HGGQZVLYTLDXHE-OALUTQOASA-N 443.397 4.832 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339586206 BASVLGZOGSVLGP-RIBQSRIRSA-N 443.397 4.784 30 10 IJEE CN[C@H](C#C[C@@H]1CC1(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2365083200 OPWUPYYULQEVMG-BHIYHBOVSA-N 435.406 4.522 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2366191512 YZJBWFHCEUOMHS-SPEDKVCISA-N 433.390 4.568 30 10 IJEE CC(C)n1ncc(Br)c1CC1(C=O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2367997112 HLRSLWRYGPTMPH-DBIVSCPCSA-N 440.382 4.516 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)/C=C/c3ccc(Cl)cc3)nc12 12289316 UFHDXTIADGTSAN-DHZHZOJOSA-N 443.894 4.915 30 10 IJEE CCOc1ccc(/N=C2\S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)cc1 12797759 UBKRAGFUGCUZSY-TYGLDRHGSA-N 441.597 4.576 30 10 IJEE COc1cccc(CN/C(=N/C(=O)Nc2ccc(Cl)cc2)Nc2nc(C)cc(C)n2)c1 14156133 LMVIARMGOLXKLX-UHFFFAOYSA-N 438.919 4.545 30 10 IJEE Nn1c(N/N=C/c2ccccc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 20528211 IZOMEOFIWWGFJN-ODCIPOBUSA-N 427.748 4.690 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)cc1Cl 21229921 JAUCVUUQBBZXAS-AEFFLSMTSA-N 425.912 4.752 30 10 IJEE CCOc1ccc(/C(C)=N\Nc2nnc3c4cc(Br)ccc4n(C)c3n2)cc1 27473136 UWZGKKCYOOYSAV-FMCGGJTJSA-N 439.317 4.514 30 10 IJEE COc1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 28052620 ZYMOLLKMKRGOHF-BXKMTCNYSA-N 446.503 4.967 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)N1C[C@@H](C)O[C@H](C)C1)n2Cc1cc(F)ccc1F 35927887 LEPPJXIWOCLBOI-IAGOWNOFSA-N 440.490 4.782 30 10 IJEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2ccncc2)nc2ccccc21 40183839 NEFOVCZPDPGDJD-UHFFFAOYSA-N 426.520 4.559 30 10 IJEE CC(=O)Nc1cc(C(=O)/N=C(/NCc2ccccn2)Nc2cccc(C(C)C)c2)ccc1C 46126957 XCTIJFNNFYEARU-UHFFFAOYSA-N 443.551 4.870 30 10 IJEE O=C(CSc1nc2ccc(/N=C/c3c(F)cccc3Cl)cc2s1)N1CCOCC1 59500653 SGTVSSVDTLAAJN-FOKLQQMPSA-N 449.960 4.790 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 102495506 YIAZBYHMCITRBZ-UGUGFTGJSA-N 446.478 4.631 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(F)c2)cc1Cl 102524768 XYQKGAUZRGPQQC-GOBJLOIFSA-N 438.842 4.509 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 169962522 XBYWMJZYCGXBAN-OAQYLSRUSA-N 435.863 4.843 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccs1)c1cccc(Cl)c1 169983379 VRJUIGDAEROTIC-IBGZPJMESA-N 439.876 4.913 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccs2)c1 169989108 JJTGYYOWEGOVDO-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccnc2)cc1 170006946 FKFDLKYUSOOHBQ-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccc(O)c2)cc1C 170080862 WDJQWINRHXTFEW-XMMPIXPASA-N 441.483 4.727 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100710 SYRBSKCVARNKOB-FQEVSTJZSA-N 437.835 4.753 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 170140926 VFPOACMPEFHZRA-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccc(C)c1 170145912 UPAKVMFSBQKEPG-FQEVSTJZSA-N 443.927 4.580 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccccn1 170181065 ZDVXNSJRLQCZCQ-QFIPXVFZSA-N 438.524 4.648 30 10 IJEE Cc1sc(C2=C(N)N(c3ccc(OC(F)(F)F)cc3)CC2=O)nc1-c1ccccc1 170181107 VSCTZOVLVJDHLK-UHFFFAOYSA-N 431.439 4.734 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1cccnc1 170185294 RUYXZBKHJZTEMY-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OCC)cc1 170214349 SHUFAQSBWSAEFN-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)cc1C(C)C 170283622 SRVLFEKSHBZZHI-QFIPXVFZSA-N 433.460 4.900 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccco1 170285060 RZLDFBMOBOJHAF-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)c1 170317439 KPJCBYQYIOLGMR-HXUWFJFHSA-N 441.549 4.985 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(OCc2ccccc2)c1 170457603 PVJGVBASPOTKTJ-QHCPKHFHSA-N 431.488 4.979 30 10 IJEE COc1ccc(C=NOCc2nc3c4c(C)c(C)n(C5CCCCC5)c4ncn3n2)cc1 254841197 OHTDKOKVXBFHNV-UHFFFAOYSA-N 432.528 4.760 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](CN2CCCCCC2)C1 303796889 WAUYQCJRFDYEQE-NHCUHLMSSA-N 428.646 4.607 30 10 IJEE CC(C)[C@@]1(C)CSC(=Nc2ccc(I)c(Br)c2)N1 398488254 FIGSYNZGHHSNDV-CYBMUJFWSA-N 439.160 4.792 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCCCC[C@H]2C(=O)O)cc1OCC 426741888 NGFRBZXYAQVVJS-AEFFLSMTSA-N 440.378 4.926 30 10 IJEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 441211784 SWEOMIQZESQWAO-NRFANRHFSA-N 444.466 4.577 30 10 IJEE N#Cc1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1 469760487 KRVKVWMURWKAAJ-CQSZACIVSA-N 434.361 4.871 30 10 IJEE N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 480104261 HFJWLAPMZCATRX-KRWDZBQOSA-N 439.441 4.936 30 10 IJEE N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 488175836 JLKRULGCHZDOEM-AWEZNQCLSA-N 435.409 4.958 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 508955422 GJLQNWQXPOWBMV-OAQYLSRUSA-N 440.494 4.543 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 531869729 MNKHLTDWAYYUBZ-HXUWFJFHSA-N 434.536 4.721 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C 586155406 BIEYYEZAFWZYBM-UZLBHIALSA-N 432.973 4.990 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2ccc(C(=O)OCC)cc2)cc1 586233015 YCVNBKDUUZHDFL-UHFFFAOYSA-N 428.554 4.705 30 10 IJEE CCOc1ccc([C@@H](O)C[C@H]2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)cc1 606656540 GZPQYGXGGYVYRO-DLBZAZTESA-N 425.337 4.735 30 10 IJEE C#CCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686826244 DLJTWEAMDGXRMR-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728297491 GVEJLCCWTQACRX-ROUUACIJSA-N 447.510 4.963 30 10 IJEE Cc1cc(COc2ccc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)cc2)oc1C(=O)O 731564514 HUARWMNVJMXOSR-XBXARRHUSA-N 447.365 4.881 30 10 IJEE C=C(COC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C(=O)OCC 734026240 IQPMRDAHSOZRBF-UHFFFAOYSA-N 427.526 4.634 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741183299 GJLVWBAEONUIDU-MSOLQXFVSA-N 425.410 4.824 30 10 IJEE N#Cc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)c(F)c1 781108362 POXKUSJRGNCMND-DUXPYHPUSA-N 425.051 4.824 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 799211841 CWDXABQWMZXJAB-KRWDZBQOSA-N 437.899 4.907 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3Cc4ccc(Cl)cc4C3)s2)cc1 800525564 OAYYSPDOOVNZPQ-KRWDZBQOSA-N 441.969 4.644 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809891686 WOGVZADTLBAVDP-RUZDIDTESA-N 434.609 4.595 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccc(Cl)cc1 810472978 AOUKZACOCRFGJE-GOSISDBHSA-N 440.286 4.610 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC2(CC1)OCCO2 812179741 BRBCLSIRACPMRC-UHFFFAOYSA-N 440.544 4.732 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1)c1ccccc1 1084113239 XCSFVTJQRYAPSO-UHFFFAOYSA-N 448.474 4.781 30 10 IJEE Cc1cc(C)c(CSc2n[nH]c(NN=Cc3cc(Br)ccc3O)n2)c(C)c1 1084373774 OZMZBCFEUNPXAV-UHFFFAOYSA-N 446.374 4.936 30 10 IJEE Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3cc(Cl)c(O)c(Cl)c3)S2)c1 1084444622 YLGVKMVIPXJUMZ-HNNXBMFYSA-N 438.336 4.598 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 1084589260 SRRMPDYETZDRAA-XETYBRLSSA-N 444.923 4.829 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](COCc3ccccc3)c3ccccc3)C2)c(F)c1 1126274734 DTGYDGVDBPGZCM-ILBGXUMGSA-N 443.522 4.598 30 10 IJEE CC(C)(C)c1ccc([C@@H](O)CCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 1137628499 DJPGVISAWKYSEA-VNXZQDSDSA-N 435.568 4.571 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)C1 1163027841 UGFQZZVVJXEXBS-QGZVFWFLSA-N 438.574 4.578 30 10 IJEE C=CCn1c(SCc2noc(C(C)(C)C)n2)nc2sc3c(c2c1=O)CCCCC3 1164443732 GKBUVNRQAMMKJP-UHFFFAOYSA-N 430.599 4.886 30 10 IJEE C=C1CCC(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)CC1 1177326084 DELMEEKWKKDMAC-SFHVURJKSA-N 437.378 4.878 30 10 IJEE CN(CCOc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 1211512203 DNKMHRBGVBBFQM-UHFFFAOYSA-N 445.356 4.563 30 10 IJEE CCCc1c(NC(=O)N[C@H]2CCCc3ccc(OC)cc32)cnn1-c1cccc(C#N)c1 1216752845 GBTICODWYZJAQX-QFIPXVFZSA-N 429.524 4.904 30 10 IJEE COC(=O)CCSc1cc(Cl)ccc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 1219773287 DTXMMIBMLZJISE-QGZVFWFLSA-N 429.929 4.676 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@](C)(OC)c1ccccc1 1228605970 AGBGPKPXDXTRKI-OAQYLSRUSA-N 435.337 4.848 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1252459822 YFGLSDHGBFZUBQ-QGZVFWFLSA-N 425.248 4.984 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)cc1OC 1273650813 FCBPILGZWJNNFE-LCYFTJDESA-N 439.512 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(F)(F)Br 1286280945 GFYUOIOIDLYASF-CYBMUJFWSA-N 425.321 4.688 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ncccc1C 1286437818 RMSMNAKIGXGXDU-UHFFFAOYSA-N 428.565 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1286525270 OPMPAPBRDRLLCT-TYBLODHISA-N 439.673 4.681 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)C1 1286549104 DHHPAMCBYPYSAQ-CXAGYDPISA-N 426.870 4.564 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(F)(F)C1 1286570156 OBFAMKKEYBTIOP-ZDUSSCGKSA-N 428.325 4.874 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C)C1 1286603058 KPYCPZIYPUHMGW-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1286664970 NGTODRUMRWNVCM-GOSISDBHSA-N 437.613 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N(CC)Cc1cnn(C)c1 1286673253 AMKDFQFGYZBIIL-UHFFFAOYSA-N 431.588 4.643 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCC2(CCCC2)C1)c1ccccc1 1286678202 SAHPHAILNLJLFN-QFIPXVFZSA-N 435.616 4.937 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC[C@@H](F)C2)C1 1286801875 JOTOJOVSYVGVEA-ATZDWAIDSA-N 449.368 4.627 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1286827694 XIMLLKKWYKLVKW-HXUWFJFHSA-N 433.021 4.913 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnc2[nH]c(O)nc12)c1ccc(C)c(C)c1 1293123576 RDJGTFLKOQXUNZ-UHFFFAOYSA-N 428.492 4.692 30 10 IJEE C=CCC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CCCC1 1297804524 SGJZZGSINZOYDI-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCOCC(F)F 1300283585 VHGCHSVPHHRHNS-CQSZACIVSA-N 434.487 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCSc1nccs1 1300321055 KTNVUPXEPUYAJL-GOSISDBHSA-N 441.626 4.571 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1300392292 QVJSRCRZGPTEFB-GOSISDBHSA-N 441.988 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)N(CC)CC 1300443361 FCSFQAGFUCEGEA-KRWDZBQOSA-N 425.577 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1c(CC)noc1C 1300602551 GUUXULSASHJTAU-UHFFFAOYSA-N 442.567 4.719 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CCC(=O)Nc1cccc(Cl)c1C 1300780743 VTCOUZRBGSYSSZ-HSZRJFAPSA-N 427.980 4.558 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H]1CCCCO1 1301023596 HXBRSQRWSSAFGB-INIZCTEOSA-N 439.785 4.774 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(C)C)C1)c1ccccc1 1301166190 QSXRYSXOPZGNQC-XZOQPEGZSA-N 435.616 4.633 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1301177399 ZGFCEJJPDHQJBQ-NRFANRHFSA-N 430.618 4.896 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1301225971 OGTCEBLZLGTXQD-HXUWFJFHSA-N 437.613 4.993 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1301246576 UNTQJOPAZKPKJT-XMSQKQJNSA-N 440.519 4.545 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H](CC)N1CCCC1 1301334198 FEPQCBKUPCCGKN-NRFANRHFSA-N 425.621 4.651 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 1301354610 DLKNEQQPOVCBFC-UHFFFAOYSA-N 433.512 4.775 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1Cc1nnc(C(C)(C)C)s1 1301375169 KMDMOECJCAMMBP-UHFFFAOYSA-N 428.993 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C(F)(F)F)cs1 1301404689 RJCFMRCMQNMYOZ-UHFFFAOYSA-N 437.466 4.710 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H]2CC=CCC2)cc1 1301526683 PXBAMXSOAGFJAD-JOCHJYFZSA-N 429.568 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCC2(F)F)C1 1301557588 VICZKHUXSPCQFX-RTBURBONSA-N 434.506 4.615 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2=CCCCC2)C1 1301566599 RGIONZVBMVXFTJ-QFIPXVFZSA-N 426.536 4.668 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(C)c2C)CC1 1301610442 YVTPHETWSWXJAS-UHFFFAOYSA-N 448.640 4.511 30 10 IJEE C[C@@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)[C@H]1C 1305250348 BJAZVLNLJINSAA-KBPBESRZSA-N 430.002 4.910 30 10 IJEE CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)Oc1cccc(F)c1 1305832715 ANORAGJWPYJLAO-HXUWFJFHSA-N 427.568 4.993 30 10 IJEE N#C[C@H](C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccco1)c1ccccc1 1307311919 HRSRSRBHZCNJFP-IBGZPJMESA-N 432.480 4.694 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CCc2cc(Br)ccc2NC1=O 1307764344 UCVZCLHRVGRFQN-HXUWFJFHSA-N 431.378 4.558 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1 1307802055 FQINOECFZCEETQ-XMMPIXPASA-N 444.623 4.618 30 10 IJEE CC(C)(C)c1csc(NC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)c1C#N 1310780927 BGVSOUAEUBWURU-UHFFFAOYSA-N 433.537 4.886 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCOc4ccc(Br)cc43)cc21 1311253614 VQIOKMYKGFDFMT-QGZVFWFLSA-N 427.302 4.630 30 10 IJEE C#CCC1(NC(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCOCC1 1312111513 CUUNEFZNWIBPHH-UHFFFAOYSA-N 432.442 4.869 30 10 IJEE C=CCC[C@H](NC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F)c1ccccc1 1312333987 GCVBSOJJFQTPCJ-MOPGFXCFSA-N 431.458 4.513 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)C#N)C(C)C 1314056598 AXTKXBDURIWAIP-LPHOPBHVSA-N 448.409 4.755 30 10 IJEE CCOCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@](C)(C#N)C1 1314289591 HSYRWYACKSLPHN-VWLOTQADSA-N 439.604 4.612 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C(C)=C\c1ccc(Br)o1 1351585879 JHAAYRFVYFKCTA-XFXZXTDPSA-N 435.270 4.575 30 10 IJEE C#CCSCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1351846966 BVNOKXCDYOSMHK-AWEZNQCLSA-N 441.405 4.995 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1OC 1356034423 JAUCPTGFDJWBLO-YBEGLDIGSA-N 442.515 4.842 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CCC)C2CC2)c1 1357622519 MFCZYZSINVRAGS-UHFFFAOYSA-N 432.973 4.736 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cc(C(CC)CC)no1 1358871683 JAUQWPLLOLPTMT-IAGOWNOFSA-N 439.535 4.955 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)c1c(C)noc1C 1358942684 FLKFSQJJUKNNMO-QGZVFWFLSA-N 445.523 4.595 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359083836 SCNGCLRBOLCJPC-BBRMVZONSA-N 434.209 4.864 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1359180012 OFCQAMAGTWVHCH-IFMALSPDSA-N 437.632 4.896 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359201254 IBATXTFGUYIICF-UHFFFAOYSA-N 427.499 4.956 30 10 IJEE C=CCCCCn1c(N2CCC(Oc3c(OC)cccc3OC)CC2)nnc1C(C)(C)C 1359206446 FIYJFZWRHSGEES-UHFFFAOYSA-N 442.604 4.997 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1359211958 UZGMXSSZSGNTJD-GOSISDBHSA-N 428.577 4.712 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC=C(C(C)(C)C)CC1 1359223345 IRLIMFVIUFGLOJ-UHFFFAOYSA-N 440.588 4.738 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(CC)(CC)SC 1359245405 OBWVXILLQLMAOP-KRWDZBQOSA-N 437.654 4.894 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1359337107 JTXYIRUNCIWGFW-WZONZLPQSA-N 448.608 4.872 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(Cl)cc1F 1460792962 ZBYLOHBWAFAZJI-LJQANCHMSA-N 426.900 4.575 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 1467152882 YFNZNMFZDVZJQC-LEWJYISDSA-N 437.540 4.954 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)c1 1467326007 IEXGDKJSJZPGOK-UHFFFAOYSA-N 431.941 4.711 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](CC)c2ccccc2OCC(=O)N2CCCC2)c(Cl)c1 1467401052 CAFFAQYZUHTLCE-HXUWFJFHSA-N 439.943 4.595 30 10 IJEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CCCc2ccccc21 1468419171 PNQXPSQMIATXEL-HSZRJFAPSA-N 427.504 4.754 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@]3(Cc4ccccc4)C=CCCC3)n[nH]2)c1C 1471045143 CARYPQMGSFBOEA-SANMLTNESA-N 429.568 4.775 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Br)c2ccccc2c1 1471773896 TUPQVCQPIQHQEQ-LJQANCHMSA-N 445.357 4.525 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1Br 1475720785 OQWYRLIRIGBRBS-GOSISDBHSA-N 438.774 4.804 30 10 IJEE C#CCN(C(=O)Nc1ccc(CCC#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 1477094296 PKNIVNZUZUZUET-HXUWFJFHSA-N 438.325 4.896 30 10 IJEE C#C[C@H](NC(=O)N[C@]1(C)CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(F)cc1 1478893117 BOUAQQAPBOPRAP-UNCTUWKVSA-N 441.550 4.858 30 10 IJEE CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(C#N)CC1)Oc1cccc(F)c1 1497370331 IEXDRIYIWXOMHY-NRFANRHFSA-N 425.552 4.747 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1507676473 MGAQZEVJBYPXDJ-OFVILXPXSA-N 436.625 4.689 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1507782358 BZABXONFNRHWCM-QGZVFWFLSA-N 442.336 4.690 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC1 1507790373 HOWCRBXXPMSNTM-UHFFFAOYSA-N 433.394 4.909 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1nc2c(s1)C[C@H](C)CC2 1507819482 ZWLUCPGTPBBKGH-QGZVFWFLSA-N 437.613 4.986 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2cccnc2)CC1 1507897488 JRTZWUHDWMIVNI-UHFFFAOYSA-N 425.483 4.587 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCOc2ccc(C)cc2)CC1 1507908740 CTXOUUKQPYQCRT-UHFFFAOYSA-N 448.615 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1507922764 HJHZJQVDUDFTOO-JOCHJYFZSA-N 444.627 4.577 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507944454 RMZQLNGTAMGCPJ-OAQYLSRUSA-N 439.604 4.967 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN1CCC 1508005717 UXYNDFKCMOEVNN-NRFANRHFSA-N 434.563 4.546 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2COc3ccccc3O2)n1CCC=C(C)C 1508034500 VZKDSFHRFGTUOT-HSZRJFAPSA-N 434.540 4.975 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1C(F)(F)F 1508154150 UYWOGXDNPZBVKF-UHFFFAOYSA-N 435.519 4.858 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccc(Br)cc2)no1 1519444345 BXDJHXPMCBTHSA-UHFFFAOYSA-N 447.292 4.853 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC(c2ccccc2C)=NO1 1520237529 ZQJGQFHJEVEJTE-FQEVSTJZSA-N 431.305 4.604 30 10 IJEE C=C(C)C(C)(C)C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1523059090 NDFXEAIDLKGAHO-UVTDQMKNSA-N 427.353 4.748 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(NC(=O)c4ccc(OC)cc4)s3)cc2n1 1536229898 NNIPPUSSUBSWBS-UHFFFAOYSA-N 432.505 4.797 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccccc1 1537447748 KNKHJOJMJSZYJO-POXGOYDTSA-N 437.348 4.586 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc([C@H](C)OC)n1 1538984721 OKSNOCXRFTUEKA-SJORKVTESA-N 437.613 4.913 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cccnc1Oc1cccc(F)c1 1539023120 MLDKTMWWWZSZNL-QGZVFWFLSA-N 447.539 4.763 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1539060125 ZKZYVUUMLDQLAT-JOCHJYFZSA-N 442.629 4.734 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 1539425406 UVHSPFJQXNCBRE-UHFFFAOYSA-N 438.281 4.561 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539496197 DSUCDODPFAICHI-RTBURBONSA-N 442.604 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC1(OC)CCC(C)CC1 1539566687 NLNAGLKBGRPMCF-XXBILOIISA-N 436.600 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C)C1 1539618979 CMFWVXOKMCRDTH-KPFFTGBYSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1539624987 XQGNJXNYEREJKJ-MJGOQNOKSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C 1539643186 UZDLNJXUQZOOQQ-URVUXULASA-N 426.580 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1OCC(F)(F)F 1539661398 BFXBWMNTYSKNOQ-UHFFFAOYSA-N 433.478 4.973 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CCc1csc(C)n1 1539676841 WCJHGOGZYQVZOG-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1539835213 ASSNVYURQLLLJX-UHFFFAOYSA-N 430.600 4.953 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539959176 GUBZJDULMUHDCV-LJQANCHMSA-N 425.577 4.713 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 1539966550 LELHGELUDSTABU-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1539990857 SYASAQLUPHFHPQ-WOJBJXKFSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1540148244 SIGKRMIKXWAUMS-ZILOHOTNSA-N 443.661 4.894 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 1543285392 VHLGRBNQTVUJOX-QUCCMNQESA-N 436.568 4.985 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(C)(F)F)cc1OC 1547266042 BNFUSKVMGSCDCD-QFIPXVFZSA-N 447.530 4.918 30 10 IJEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)c1nccs1)C(C)(C)C 1554638355 DHOLWZRCSIVRGT-VQIMIIECSA-N 438.601 4.574 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(Cl)s1 1555555463 CXXJYJFPOKQMHW-UHFFFAOYSA-N 436.368 4.728 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(OCc3ccccc3)nc2)CC1 1559802519 CQPAZOPRHFGDKF-DEOSSOPVSA-N 432.955 4.696 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc2scnc12 1561209129 XQWFRHQWNJELPT-UHFFFAOYSA-N 441.347 4.575 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1 1562235694 NVCBGFYBIHXUJU-NSHDSACASA-N 426.826 4.552 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccccc1 1562369984 AIYLKLJQWAPQLE-GGAORHGYSA-N 442.581 4.858 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2)c1ccc(Cl)cc1F 1562813374 OKIQYZUCCYPMNC-MRXNPFEDSA-N 433.936 4.717 30 10 IJEE CC(C)CN(CCC#N)C(=O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1583564118 HNSJYXYPVDXIKL-UHFFFAOYSA-N 445.563 4.798 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2)cn1)c1ccc(Br)cc1 1583565926 OLYDQPMIGXSSKS-LJQANCHMSA-N 425.257 4.880 30 10 IJEE O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(F)c(-c2nc[nH]n2)c1 1586362070 ABGLKYGYCYYIQZ-UHFFFAOYSA-N 448.298 4.666 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1587786883 CBVRWBVURZJJGN-SFHVURJKSA-N 432.490 4.671 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1CCc1ccc(Br)s1 1588298056 RQUAWOUVKPPUEP-UHFFFAOYSA-N 429.387 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1CC 1589150586 HLURZCXLCQJYTK-DRMXPCRNSA-N 442.007 4.548 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1589568760 MFKWWRHGCZDCJH-SLSDLSHTSA-N 436.600 4.939 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1593763691 OTEMZPBBZWWKAG-KDURUIRLSA-N 443.542 4.601 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1csc(CC)n1 1595115172 FRSVTCDVYYQWHM-UHFFFAOYSA-N 430.581 4.908 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@H](F)C1 1595120466 ULHWHAIMSSFRRQ-UXHICEINSA-N 425.577 4.965 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]2CCC[C@@H]21)C(C)C 1595170691 HWXYIMJQMRKSEJ-JLLPCOHGSA-N 441.664 4.640 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCCN1C(=O)OC(C)(C)C 1597219649 FNTHUBYTTBTULJ-BKMJKUGQSA-N 441.616 4.503 30 10 IJEE C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1611455604 CTKYMVHRXHTRPS-IAGOWNOFSA-N 431.923 4.874 30 10 IJEE C=CCn1c(SC[C@@H](C)NC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CCCCC3 1613118771 YNUKOXZTQARJHU-CQSZACIVSA-N 449.642 4.918 30 10 IJEE C=CCn1c(SCC(C)(C)C(=O)OCC)nc2scc(-c3ccccc3)c2c1=O 1613283550 HAZGETXZTYXEEH-UHFFFAOYSA-N 428.579 4.992 30 10 IJEE C#CCN(C(=O)CC[C@@H](O)CCCCCC)[C@@H]1CCOc2ccc(Br)cc21 1617600524 LKTWHHALJMFQLW-AZUAARDMSA-N 436.390 4.846 30 10 IJEE COC1(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)CCC1 1619044026 DNLUGQIOEMAJTF-ICSRJNTNSA-N 425.577 4.733 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(F)(F)F)CCCCC1 1619784258 FKDZVVFTDLCIAB-UHFFFAOYSA-N 435.494 4.802 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cn(C)c2cc(Cl)ccc12 1625261051 AZBAZBNTBPOLMV-LJQANCHMSA-N 433.980 4.740 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cccc2c1CCN2C(C)=O 1625539510 XVRPAZFBVWIQED-UHFFFAOYSA-N 430.302 4.567 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](Cc2nc(C)cs2)C1 1625542350 IUEBJPQEHNDBJE-CQSZACIVSA-N 436.375 4.875 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(COC(C)(C)CC)c2C)c1 1626714666 TVEJQVPDGLIXIG-UHFFFAOYSA-N 427.566 4.750 30 10 IJEE C=C(C)[C@@H](NC(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 1634436272 XGCGIMUAKFTTNG-NZQKXSOJSA-N 430.495 4.981 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)NCCc2cccc(-c3ccccc3)c2)CC1 1634460538 FNZLMUIXNMNBNZ-UHFFFAOYSA-N 440.547 4.852 30 10 IJEE C#CCOc1ccc(CNC(=O)C[C@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)cc1 1636916156 UQHOERSFTHHCQP-MHZLTWQESA-N 430.548 4.627 30 10 IJEE C=C1CC(C)(C(=O)N2CCC3(CC2)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2O3)C1 1637945768 ZWDSGCJLSKSAMD-IBGZPJMESA-N 426.557 4.752 30 10 IJEE CN1CCN(Cc2cccc(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)c2)CC1 1640748655 CMJLZDQBNLSKGA-UHFFFAOYSA-N 442.588 4.709 30 10 IJEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCCC1 1641105159 BWFOSHXKENFACI-UHFFFAOYSA-N 449.551 4.705 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCN(c3cccc(Cl)c3C)CC2)cc1 1643077420 HLWOJVLNQHHBPU-OAQYLSRUSA-N 439.003 4.804 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 1645353840 RFHNAPTZJOFBLC-GOEBONIOSA-N 431.627 4.760 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNc1ccn(-c2ccc(Cl)cc2C#N)n1)CC(F)(F)F 1650838993 DXXDGPKXKMZTIV-CQSZACIVSA-N 443.857 4.655 30 10 IJEE C=C[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccc(OCC)cc1)C(=O)OC 1651656763 FNBRDSMJUXZCMM-GOSISDBHSA-N 429.929 4.806 30 10 IJEE C=CC[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)OC 1652455336 VAQKJQTVWYYWLS-KRWDZBQOSA-N 435.332 4.902 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCN(c2cccc(Cl)c2C)CC1 1654437876 RCDMJISRHANTHG-IBGZPJMESA-N 432.033 4.825 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 1657158647 WIVYPMPZBDESKA-FQEVSTJZSA-N 435.312 4.735 30 10 IJEE C#C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)c1ccc(Br)cc1 1659304083 GLDMLGABGYTKNW-ZDUSSCGKSA-N 430.121 4.645 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cc1 1661860258 HILQQBPJALVZTL-FQEVSTJZSA-N 442.544 4.916 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC(O)(c4ccccc4C(F)(F)F)CC3)cc2n1 1664854612 UGEWGEZZSCEMMM-UHFFFAOYSA-N 444.457 4.757 30 10 IJEE Cc1ccnc2c(S(=O)(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cccc12 1666612957 CJACFCWQHSXROW-UHFFFAOYSA-N 445.519 4.945 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 1666944603 OGOLELSVTYTQRZ-UHFFFAOYSA-N 447.457 4.893 30 10 IJEE C=CCc1cc(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc(OC)c1OC 1667711591 ZMYIUBXCLHTFSA-UHFFFAOYSA-N 447.579 4.882 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2COc3cc(F)cc(F)c32)cc1 1668066314 HVFACZQWSVBEKC-GOSISDBHSA-N 437.402 4.893 30 10 IJEE C#CCOc1ccccc1NC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 1670328035 WETRBPRFYRUVIT-UHFFFAOYSA-N 430.504 4.950 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1Br 1671735685 CWZLLKXXSANVSK-INIZCTEOSA-N 442.235 4.585 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2(CO)CC=CC2)cc1 1673820087 RYIQBRFOYAYDPN-DEOSSOPVSA-N 445.563 4.692 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1675286114 AIPGMWMTUDZTGO-XMMPIXPASA-N 430.939 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)c1ccc(Br)cc1Cl 1680700156 LIPUPSRRJFINOT-GUYCJALGSA-N 429.786 4.661 30 10 IJEE C#CC1(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)CCCC1 1683007036 XICYZRDMJYPRED-SFHVURJKSA-N 427.545 4.881 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 1684504817 AYZIXFSPCDRGHE-VWLOTQADSA-N 437.632 4.997 30 10 IJEE C#CCN(C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C1CCCCC1 1687323222 SLOYJMDAGHQGQV-IBGZPJMESA-N 425.573 4.893 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1cccc(C)c1 1690230425 CNLNJFCVADKNPQ-FQEVSTJZSA-N 438.373 4.822 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2nccs2)CC1 1690249552 ZFMQQDXYNMAZAY-AZUAARDMSA-N 429.634 4.688 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1690402839 RPBUQXORHXRWPT-FDDCHVKYSA-N 434.588 4.799 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CC)CCCC2)CC1 1690415139 YXPLCGMAEAANFG-UHFFFAOYSA-N 427.618 4.642 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)cc1F 1690446801 GQPHCBYJVAJHKE-UHFFFAOYSA-N 433.959 4.538 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1690471089 UBBAWBFKBJNFAW-IBGZPJMESA-N 429.572 4.504 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC1CCC(OC)CC1 1690556164 OMKQQOANMMBUIH-UHFFFAOYSA-N 449.599 4.690 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@](C)(O)c1cccs1 1690572096 SLTKYSSIWSPWKQ-HSZRJFAPSA-N 428.577 4.778 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1690585755 UQBKEBLYKGWFPL-UYAOXDASSA-N 445.405 4.947 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCO[C@H]1C(C)C 1705577227 WIIXWVRNRBIGRT-UTKZUKDTSA-N 445.394 4.776 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCC1(C)C 1705591990 NOPRHUHCOHDRRJ-OAQYLSRUSA-N 426.568 4.624 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCc1cccs1 1705705730 KUCWJBDHILNXTA-GHTZIAJQSA-N 428.627 4.652 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705792069 LSGSHJICOYCRAS-RBUKOAKNSA-N 429.634 4.842 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1C2CCC1(C)CC2 1705826679 ZPAXKTVTNGDFBZ-UHFFFAOYSA-N 449.368 4.961 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC1(OC)CCCC1)C1CC1 1705850781 IDRXUZSCRLAUNR-UHFFFAOYSA-N 449.368 4.961 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1706737424 FHFGFFMWTXZLAR-HXOBKFHXSA-N 437.569 4.805 30 10 IJEE CCC1(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(CCC#N)CCOC)CC1 1708879065 FLCSKUDSZWVKMJ-UHFFFAOYSA-N 427.618 4.832 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N1CCCCC1)C(C)C 1709937925 DMWBAXCQFJVGFP-QFIPXVFZSA-N 432.572 4.872 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(OC)CCCC1 1722466784 FLBZUXZFYBTUNZ-WZONZLPQSA-N 426.536 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1722476402 TYABGVJAYCUGDR-WXVAWEFUSA-N 449.643 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@](C)(CC)C1 1722491110 HTKXULFOWASIBK-KWNHSTDBSA-N 438.616 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(C)C 1722492345 FFFVAQVRLRHOGH-MJGOQNOKSA-N 433.394 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1722516191 VYZFLWNBRMXDIK-QFIPXVFZSA-N 425.621 4.688 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1722535544 CWNSQQBXLDRSAU-PMACEKPBSA-N 426.605 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1722589144 MSOOIPURWJKRNJ-HSZRJFAPSA-N 448.615 4.790 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)CC(C)(C)C1)c1ccccc1 1722596114 CKWMDLOCNURNQB-RBBKRZOGSA-N 435.616 4.633 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722615446 QKUNBMADEIMVBG-FQEVSTJZSA-N 430.980 4.627 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)C1 1726516279 FEPJCTOWTQIKRV-BVYCBKJFSA-N 432.572 4.728 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1740576634 BUFHDOJXAPTUOP-LJQANCHMSA-N 448.537 4.871 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)C(C)C 1740650465 BHAJRSVUBUFBHQ-UHFFFAOYSA-N 436.600 4.886 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1740712117 XGNVHAZQCMTIEN-SJLPKXTDSA-N 434.556 4.928 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1ccco1 1740725543 RPYLRQZAZKJBLZ-LIKDZFNVSA-N 448.567 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1740733500 GQVGAUVWJLDITH-PMWMKWCKSA-N 436.600 4.609 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1740743856 GYPYVAXFTCQRPT-DYVFJYSZSA-N 441.320 4.904 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCCC[C@H](SCC)C1 1740747102 YPEPLKIOBLIGBX-INIZCTEOSA-N 441.464 4.951 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H](C)c1ccco1 1740748170 HWEGSCZLLMITAH-OAHLLOKOSA-N 447.333 4.565 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1740819909 JLIUPWHIIXTQFT-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1740820834 SZCWKDNRALGZCF-QFIPXVFZSA-N 435.572 4.786 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCCCC2)CC1 1740824339 JSBSNEMPVFQTKF-SFHVURJKSA-N 430.980 4.923 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(COCC)cc2)CC1 1740836745 MZFGBBZIJLBPSZ-UHFFFAOYSA-N 437.975 4.981 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740871244 VKZYJALJIRRJEK-HNNXBMFYSA-N 444.004 4.836 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1740943586 XTFFNRADFGCPDJ-QZTJIDSGSA-N 442.560 4.990 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)n1 1742321724 GWPSJOOMROXXFP-BGYRXZFFSA-N 449.647 4.535 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1748723992 GIFWYNXVHKMSKJ-XLIONFOSSA-N 443.389 4.802 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1748744136 SWAVZYKCFHXFKR-QGZVFWFLSA-N 439.922 4.594 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCO[C@@H]1CCCC[C@@H]1C 1748775296 IFEIYQQJYAWOJO-CMKODMSKSA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCC1(F)F 1748913175 QNJGXPGPIRFXNR-INIZCTEOSA-N 437.332 4.993 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749024500 SRTNFLVHDBUBBT-IBGZPJMESA-N 438.597 4.842 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)(C)CC1 1749136983 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C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCOC1 1760131723 YOBRLPNTNIKTGS-OALUTQOASA-N 430.980 4.738 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCC1CC(OC(C)(C)C)C1 1760168764 OTELKDYOCOXKEZ-UHFFFAOYSA-N 445.405 4.761 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC[C@](C)(CC)O1 1760241392 YKSXETWWBSDECG-OFVILXPXSA-N 436.531 4.973 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nc(C)cs1 1760331794 NFYNFIUYOSVUQP-UHFFFAOYSA-N 427.574 4.568 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760442149 HGRSCZDMVVODJM-WIYYLYMNSA-N 446.382 4.715 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1 1760480938 JFLMPLSXYNTAAZ-NVQXNPDNSA-N 438.616 4.696 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)[C@@H](C)CC 1760482592 ZHKAXQMRJCZNSP-MHECFPHRSA-N 439.991 4.983 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCn1cc(C)cn1 1760488806 GCMODMYWVVFJPA-UHFFFAOYSA-N 445.596 4.761 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC1 1760488832 GQELFMHOTMQJLI-OALUTQOASA-N 430.980 4.903 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCC#N)CC1CC1 1760973653 BBDSKDKTWFJLBB-DENIHFKCSA-N 425.552 4.665 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 1761372853 BULVORCASSKQSQ-INIZCTEOSA-N 434.594 4.850 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CC1(C)C 1761872168 GPELYQYJZNEZBC-FUHWJXTLSA-N 426.996 4.689 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(C)C)CC2)CC1 1763015923 GXIPZKVBMLWUGA-UHFFFAOYSA-N 434.632 4.811 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860933547 BLXJLFJBOPQWHU-DEOSSOPVSA-N 430.568 4.601 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1)c1c(F)cc(F)cc1F 1862456985 FITATNKQPQOGIV-HXUWFJFHSA-N 431.410 4.721 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478435 HFIPMZMJMRLLDC-HXUWFJFHSA-N 434.473 4.743 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1862584375 XHAIPTWDWSBLDH-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649725 FEXCJMFQULQBMD-QHCPKHFHSA-N 433.479 4.720 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCCO)c1 1862662871 MNFYSAPRNPGTOO-QHCPKHFHSA-N 437.536 4.560 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862673847 POLVHJZYCPQSFX-QFIPXVFZSA-N 445.425 4.620 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOc2ccccc2)c1 1862674304 LVBBFOZVOQAVRF-QHCPKHFHSA-N 431.463 4.791 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(O)c1 1862735528 MYFIZOZUFXABTN-IVZQSRNASA-N 444.443 4.640 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 1862836304 HUMJNYMDWLSRTK-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCn2ccnc2)C1=O 1863779843 VERUWFQUTIJNBU-UHFFFAOYSA-N 442.991 4.657 30 10 IJEE CC(C)(C)c1ccc(-c2ccc(OCC(=O)NCC(=O)Nc3cccc(C#N)c3)cc2)cc1 1868151988 QNQFXSZURBCZCF-UHFFFAOYSA-N 441.531 4.656 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)c1ccccc1Cl 1870140298 JGUNFLVPUNTAHU-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C#CCOc1cn(CCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871008105 GYIWZGYMRZPDAC-UHFFFAOYSA-N 444.579 4.558 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871010307 IBHODBTYOTYBQD-UHFFFAOYSA-N 442.437 4.548 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CCCn1ccnc1)CO2 1871349156 HCCWCEZZUDPWBK-MTJSOVHGSA-N 435.911 4.703 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3C1=O)cn2C 1871401218 WYJDPPSDRMXDHA-MBTNSHOVSA-N 435.476 4.522 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(O)cc4)c3C)C2=O)cc1 1871443219 VGBNGAJVZNKLRV-UCQKPKSFSA-N 445.471 4.733 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@@H](C)CC)c2)=C(c2ccccc2Cl)C1=O 1873194885 ICZLUKKIBUOJGW-HNNXBMFYSA-N 438.911 4.673 30 10 IJEE CCCCCCCCCCNC(=O)CCCCCNC(=O)N1CC(=O)Nc2ccccc21 1873935433 QHGJQQWMHVYZTE-UHFFFAOYSA-N 444.620 4.972 30 10 IJEE Cc1ccccc1/C=N/n1c(CCCOc2c(C)cccc2C)nnc1SCCCO 1874226359 GJKQLFQEIXOMRW-KOEQRZSOSA-N 438.597 4.572 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(OC)c(O)c1 1874315760 JJSDBFCKVPNOST-BUVRLJJBSA-N 438.553 4.554 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874353587 QWZAKXHPQHPETG-CIAFOILYSA-N 431.359 4.752 30 10 IJEE CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874441929 NELJTPAMDNLYAV-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc(OC)c1O 1874483569 BTTYEGJBKHZZJJ-ZMOGYAJESA-N 440.569 4.781 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2F)c(C)c1 1874514511 BMFDRQVXZGKXPH-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1/N=C/c1ccc(OCCCC)cc1 1874568263 ORISIXRODOWZHF-LFVJCYFKSA-N 438.553 4.772 30 10 IJEE COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1ccccc1 1874571330 IAEBQRGDLIYWJH-BUHFOSPRSA-N 432.432 4.517 30 10 IJEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1874604087 UQYYTFYFRYGQCH-YRNVUSSQSA-N 437.492 4.948 30 10 IJEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1C 1874705839 CGQWRNDVGXEXDS-JXMROGBWSA-N 444.483 4.955 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc([N+](=O)[O-])c1OC(C)=O 1875192612 UHIINOWSYMVODF-PKNBQFBNSA-N 435.432 4.977 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccccc3)ncnc2n1Cc1ccco1 1875233083 LWBGUOFFUNOJEA-UHFFFAOYSA-N 441.535 4.541 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 1879577051 WNPUJCRGKJUYGO-INIZCTEOSA-N 441.391 4.506 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OC(C)(C)C 1922070332 YILMANBILIEZLN-BVSLBCMMSA-N 434.621 4.834 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2005330045 XQFGZCORCSUUKU-BTYIYWSLSA-N 434.541 4.511 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@H]1CCC[C@@](C#N)(NC2CC2)C1)Cc1ccccc1 2034740129 UNQUBCULLGACLX-IXCJQBJRSA-N 430.640 4.825 30 10 IJEE C#CC[C@H](C[C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2076092708 QWPINYVYZREBIM-FKCDAAJZSA-N 440.628 4.858 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 2078849740 YTARYKLZXRFONO-YADARESESA-N 445.560 4.976 30 10 IJEE CC[C@H](c1ccc(OC)c(C)c1)n1nc(C(F)F)c(C#N)c1I 2080037996 OTLJMWYBDUCZCZ-GFCCVEGCSA-N 431.224 4.613 30 10 IJEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(O)c1 2080048041 MXJQTNAMFWLLDU-KRWDZBQOSA-N 434.334 4.609 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCN(c2cc(Br)cc(F)c2C#N)C1(C)C 2118150045 BDZGCGCIEPPYHX-GFCCVEGCSA-N 426.330 4.589 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cc(Br)c(Cl)s2)CC1 2137175087 IUXZKVUEPHTVNO-UHFFFAOYSA-N 446.603 4.958 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1Br 2163304808 FGZAZEMDKMHOAC-QFIPXVFZSA-N 428.349 4.952 30 10 IJEE CN(Cc1ccccc1)C1(CNc2cc(Br)cc(F)c2C#N)CCOCC1 2163697501 KOKVLOZIQRAANB-UHFFFAOYSA-N 432.337 4.553 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3c(Cl)cccc3Br)cc2)OC1(C)C 2169454951 VFLZYCWHXRUNFW-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1(C)C 2180919573 CXFKPJWKKXYVGG-YESZJQIVSA-N 443.426 4.875 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181103334 NFVDPORUCOQSNB-XJKCOSOUSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN2c2cc(Br)cc(F)c2C#N)C1 2182068845 JJJOYPOEFKZIMB-FQEVSTJZSA-N 438.341 4.830 30 10 IJEE Cc1sc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c(Br)c1C 2229367677 DJHQVEUCBVDELP-UHFFFAOYSA-N 426.185 4.531 30 10 IJEE CC1(C)OB(c2ccc(Nc3cc(F)c(Br)c(Cl)c3)nc2)OC1(C)C 2232254758 FOCAXOUPOGEXSB-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@H]2CNCC[C@@H]21 2233795308 ONCJRNRLJSJJOQ-YWMUFLPLSA-N 434.378 4.863 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccccc2Br)CCC2(CC2)CC1 2235715703 BWLIAXRPQZAXPA-UHFFFAOYSA-N 432.358 4.987 30 10 IJEE C#CC[C@@H](CC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237412621 SDMKCXGEZVGTBU-HKUYNNGSSA-N 434.374 4.894 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)ccc1Cl 2251310425 IXZZNHHURBLCKD-DHZHZOJOSA-N 436.745 4.604 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(C[C@H]1CCCCN1C(=O)OC(C)(C)C)OCC(=O)O 2262198883 CSCGBAABRKCTJX-BWKNWUBXSA-N 447.572 4.799 30 10 IJEE CC1(C)OB(c2ccccc2C(=O)Nc2ccccc2OCc2ccccc2)OC1(C)C 2267572216 SKUBIQCCXWZELW-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE CN[C@@H](CC#CC1CCCC1)c1ccc(I)c(Br)c1 2274122698 PTSBLNSGHUFTCR-INIZCTEOSA-N 432.143 4.898 30 10 IJEE N[C@H](C#Cc1ccccc1Cl)c1ccc(I)c(Br)c1 2277847140 AUBOULBPVVHVCW-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE Cc1ccnc(C(=O)Nc2cccc(OCc3ccccc3)c2)c1B1OC(C)(C)C(C)(C)O1 2282007509 COBONGIJIGLEED-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)C#Cc1ccc(Br)cc1)C2 2296220883 CRXRFWGNBMXILE-UHFFFAOYSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2cccc(Br)c2)CCC12CCC2 2296227224 NAJLIQNIOAOTTE-QGZVFWFLSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@@H](O)C#Cc1ccc(Br)cc1 2296271707 FYQKQNRMINSMPB-UGKGYDQZSA-N 430.342 4.602 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296276555 JFFMYXTVLNHIJE-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCC[C@@H]1NC(=O)OC(C)(C)C 2296296818 RWBMQHNUZIYKEW-XQBPLPMBSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(F)cc2)c(OC(=O)c2ccc(OC)c(OC)c2)c1 2296797094 YTUNULNMKYQQMF-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE O=C(CCSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1ccc(Cl)cc1 2313800483 NHEZKBUUGHTBBL-UHFFFAOYSA-N 426.933 4.690 30 10 IJEE COc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3c(OC)cccc3OC)cc1)C2=O 2314527307 OWVWHWJOWGYHJK-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE Cc1ccc(COc2ccccc2C=C2SC(=Nc3nnc(C)s3)N(C)C2=O)cc1 2314544348 ZEOAPVPIJIEIAP-UHFFFAOYSA-N 436.562 4.968 30 10 IJEE CC#CCN(C[C@@H](NC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2316109781 NOKGYUFTNAWLKU-OAHLLOKOSA-N 433.749 4.763 30 10 IJEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3COc3ccccc3)c2)cc1 2321968697 GEJKPVURLSKZSK-UHFFFAOYSA-N 430.533 4.915 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(S)n1N=Cc1ccccc1OCc1ccccc1 2322095725 HPJGKRMYGRIAAE-UHFFFAOYSA-N 445.504 4.527 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(Cl)cc1Cl 2322214397 AVPHQSASLXFWLG-UHFFFAOYSA-N 435.336 4.900 30 10 IJEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2C1=O 2323562000 SAWOOSOQTQKLTC-UHFFFAOYSA-N 430.437 4.998 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3CCCC[C@H]3CCO)C2=O)c2ccccc21 2324140734 KPTJAFWGZUNHHK-IBGZPJMESA-N 446.547 4.720 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1cccc(F)c1 2325513602 NWPSGSUFIKDMGD-UHFFFAOYSA-N 430.505 4.704 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)COCc1ccccc1 2325723363 AHFMKAGKNNHVPJ-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE CCCC(=O)Oc1cc(C=CC(=O)c2ccc3c(c2)OCO3)c(Br)cc1OC 2325747228 GKENWPVWMWZSED-UHFFFAOYSA-N 447.281 4.788 30 10 IJEE O=C(COc1ccc(Cl)cc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747521 ZETFTYGRLVHPNC-UHFFFAOYSA-N 436.847 4.949 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cc(Cl)ccc1O 2328584669 VIPXUWMBFXHGSB-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329674004 SORBZNZYKMBYJJ-UHFFFAOYSA-N 436.990 4.877 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(F)cc1 2330529795 GNMKGCUDRDDULE-XMMPIXPASA-N 440.559 4.749 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 2330620267 GGZTUBRFRXXDNS-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)CCOC 2330726784 CBWFYRYMSRYEHO-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Cl)cc1Cl 2330726836 OCQQRTDLQJWTJM-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Br)c1OC(=O)COC 2330765692 RLCKVKJQTMWNNJ-UHFFFAOYSA-N 447.325 4.858 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)c1 2331382733 AVJQSWKUQORHFG-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(OC)cc2)cc1 2331496378 PWXGLUGQGPBLLZ-UHFFFAOYSA-N 449.580 4.730 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(OC)cc1 2331674726 GIFZSGDHLBCRGH-UHFFFAOYSA-N 437.569 4.586 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)COC 2331711427 IDCWUFSUGUWPTR-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE Cc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cccc(OCc3ccccc3)c2)cc1 2332188498 DZTPOODKTGSTJL-UHFFFAOYSA-N 435.487 4.678 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339577570 UREVINGMPSXDEM-PKOBYXMFSA-N 444.381 4.751 30 10 IJEE Cc1cc(CN2CC[C@@]2(C)CCOCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2343695396 XEXVMUUMLBFVKH-MHZLTWQESA-N 435.417 4.866 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[C@@H](Nc1cc(Br)c(C#N)cc1F)C2 2358985290 XMGNOVJBKDBNGW-YCCRMZCTSA-N 438.341 4.954 30 10 IJEE Cc1cc(CN2C[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369736869 FJWRQTUNCAUALH-XZOQPEGZSA-N 448.460 4.637 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(O)C#Cc1cccc(Br)c1 2381071915 HTVOKIXKVOMJSF-YVCBRDFCSA-N 434.374 4.635 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C 15219943 OKHUPBJQIHXJSS-UHFFFAOYSA-N 441.984 4.864 30 10 IJEE C=C(C)CN1C(=O)C(=Cc2csc(N(C(C)=O)c3ccccc3F)n2)SC1=S 24976175 KTQIYRHFBFFVIE-UHFFFAOYSA-N 433.555 4.744 30 10 IJEE O=C1/C(=C\c2ccc(Br)cc2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 37857924 NOQJVZOGTNCTJX-SRZZPIQSSA-N 449.304 4.812 30 10 IJEE COc1ccc(/C=C2\S/C(=N/c3nnc(C)s3)N(c3ccccc3)C2=O)c(OC)c1 39866397 OWBNLJHZNFXSFH-CXSMVCKMSA-N 438.534 4.672 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC)c(OC)c1 40097463 MZQSEBGLEMGAQP-JOCHJYFZSA-N 435.476 4.828 30 10 IJEE CC(C)c1ccccc1OCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 40899786 BITPPFMDBGDJNS-AWEZNQCLSA-N 427.595 4.760 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCN(c3ccccc3)CC2)C1=O 41585167 PDGOZJOKRGVJJR-JCMHNJIXSA-N 432.545 4.701 30 10 IJEE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C 87493023 GUERPVMWCQXYEU-WLYJZUSDSA-N 444.656 4.820 30 10 IJEE CC1(C)Cc2cccc(OCC#CCNC(=O)C3c4ccccc4Oc4ccccc43)c2O1 90733362 AODCHDFBLQVIJO-UHFFFAOYSA-N 439.511 4.836 30 10 IJEE COc1ccc(N(Cc2cccs2)C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 104792142 JRRQTROSKFNBJY-WUXMJOGZSA-N 434.517 4.914 30 10 IJEE CCN(CC)c1ccc(/C=C2\CCC(/C=N\Cc3ccncc3)=C2N2CCOCC2)cc1 105867865 HVMKTNUVAYZHMS-QREIXFCHSA-N 430.596 4.962 30 10 IJEE Cc1cc(=O)[nH]c(N/N=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)n1 169887820 PHAKWHXYDGCWFZ-UEYTXEIUSA-N 448.530 4.880 30 10 IJEE COc1cc(/C=N\Nc2nc(C)c(C)c(=O)[nH]2)ccc1OCc1c(Cl)cccc1Cl 169895952 ZFOPDIOVANORSE-VROXFSQNSA-N 447.322 4.727 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2)cc1 170052823 RWEAXHOPQVDZAE-XMMPIXPASA-N 441.483 4.803 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 170068771 YKFZEWBJESKRFI-LJQANCHMSA-N 434.319 4.835 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2F)ccc1F 170071412 NTYPMCWIISEUMF-QFIPXVFZSA-N 430.410 4.928 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1sccc1C 170107289 VCASZNQAGOAQRM-FQEVSTJZSA-N 426.582 4.593 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccccc1OC 170124879 YXINWZPTCKRWKB-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(O)cc2)c1 170132159 JPGRDKJJSISHLU-XMMPIXPASA-N 441.483 4.809 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(OC(C)C)c1 170153191 WLXSWTSCERGAIB-QFIPXVFZSA-N 437.492 4.581 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)c1 170167947 BTFJXKRKNYICSL-NRFANRHFSA-N 434.517 4.710 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)ccc1Cl 170183015 BDPNRUSCYKBAMP-LJQANCHMSA-N 440.908 4.584 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1OC 170234229 DFZULXDRIVQYMI-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2CCCOC)cc1 170266787 ORTZSUIERYLBJL-NRFANRHFSA-N 443.927 4.526 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1cccs1 170312580 XGHXFEPXYMAPMK-KRWDZBQOSA-N 440.502 4.805 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 170417884 FLGNDUUCYYNPDJ-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(OC(C)C)cc1 170472993 XKYIKWCNECQYIL-XMMPIXPASA-N 437.536 4.993 30 10 IJEE CC(=O)Oc1ccc(C(C)=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 254429081 SSKGBBFVZUMLCS-UHFFFAOYSA-N 425.532 4.724 30 10 IJEE COc1ccc(CNc2ccc(Br)c(I)c2)cc1C#N 312248773 JTUCHNZWRJXPRL-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE N#Cc1cc([N+](=O)[O-])ccc1Nc1cc(I)ccc1Br 312513929 DXILPHAAVSPPFM-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE COc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CS 382697621 LTNSEDAWQKQIOK-CRAIPNDOSA-N 436.371 4.740 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 460384066 XHPCXGCGEHLHDU-JOCHJYFZSA-N 434.540 4.889 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)Cc1ccc(Br)cc1 482562370 XYBVGRJGMVKELI-QGZVFWFLSA-N 433.394 4.945 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 508932529 UHQCAZBMNQNQNM-QGZVFWFLSA-N 440.979 4.858 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)c1 526606015 BNXAGNVLJKWEFC-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2ccccc2)cc1OC 526798804 ADDRQDCIXNYMGP-UCQKPKSFSA-N 426.542 4.567 30 10 IJEE COc1cc(Br)cc(/C=N\n2cnnc2SCc2cccc(C)c2)c1OC 526808115 ITLMQNNKRMIDBI-YVNNLAQVSA-N 447.358 4.541 30 10 IJEE N#CCCCn1cc(-c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c2ccccc21 575091411 CYLPIXOPHVOMHT-UHFFFAOYSA-N 440.912 4.622 30 10 IJEE CCOc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(C)c(C)c2)cc1 586298796 NTLJVEHHODJSJN-UHFFFAOYSA-N 434.517 4.610 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c2)cc1 589446060 HWHKIJRUWAVHNX-RUZDIDTESA-N 430.479 4.921 30 10 IJEE N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 609496113 BJDBJQYNUYTTIV-UHFFFAOYSA-N 429.524 4.731 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2oc3ccccc3c2C)C1=O 734295662 HOVLFSKREBPBQM-IBGZPJMESA-N 441.940 4.662 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@]3(C)CCCN3C(=O)c3ccccc3)n2)cc1 735209159 XPGLTWFLLLHAJU-CJFMBICVSA-N 445.544 4.690 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccsc1 790285683 SVOGUZHHCIVUFL-SFHVURJKSA-N 429.567 4.683 30 10 IJEE CCCOc1c(Cl)cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1OC 1128439953 CHSCNGXDOLMXED-UHFFFAOYSA-N 448.350 4.625 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 1130165395 BQQCTBJNJKCZDJ-ZBFHGGJFSA-N 449.860 4.653 30 10 IJEE C#CCN(C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)[C@@H]1CCCc2ccccc21 1134092198 BVEXTFPTGDDXBV-XMMPIXPASA-N 439.552 4.695 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)cc21 1134572787 UANZGBMLTNEUOP-OAQYLSRUSA-N 439.357 4.760 30 10 IJEE Cc1cccc(C2=CCN(C(=O)COc3cccc(Br)c3C#N)CC2)c1C 1134783911 AGMXDZDFSZNSMB-UHFFFAOYSA-N 425.326 4.632 30 10 IJEE C#CCN(C(=O)c1ccnc(Cl)c1Cl)[C@@H]1CCOc2ccc(Br)cc21 1136804474 CHKBNVLZGLNIOR-CQSZACIVSA-N 440.124 4.750 30 10 IJEE C#CCCNC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1146488504 LAMDYTDLSDRNHC-HXUWFJFHSA-N 430.548 4.567 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](CC)c2ccccc2)CC1 1148142979 WLTBIGINEMIQAH-FCHUYYIVSA-N 429.605 4.532 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cnn(C)c1)c1ccc(C)cc1 1154729057 YUNIUALQIRIFFT-OAQYLSRUSA-N 426.561 4.511 30 10 IJEE C#CCN1CCC[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 1177397513 AODCITHWANBIOJ-FQEVSTJZSA-N 435.326 4.981 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@](C)(O)c2ccccc2Cl)cc1OC 1201890333 XOFXKEHVHPDEOU-FQEVSTJZSA-N 440.765 4.673 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Br)c(F)c2C)cc(OC)c1OC 1207548242 VMHIBVFNNDRNEF-UHFFFAOYSA-N 437.309 4.964 30 10 IJEE C#CCN(C(=O)Nc1ccnc(SC)c1)[C@@H]1CCOc2ccc(Br)cc21 1207766317 CLISVAKEBWWTTC-MRXNPFEDSA-N 432.343 4.557 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc1 1211053646 YKUZLVHHDOEAMJ-CQSZACIVSA-N 426.351 4.616 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1251830869 NNPBEGRLBBBITL-YADHBBJMSA-N 435.568 4.839 30 10 IJEE C#CC[C@]1(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1264611928 AQFYNXGPRHDXJL-AREMUKBSSA-N 448.519 4.637 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCCC2)C1 1286315649 BAMQLGPZTWMINN-UHFFFAOYSA-N 449.418 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(F)F)c1 1286524029 COHDMCHNQQKAPS-JOCHJYFZSA-N 427.524 4.612 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H](C)CCC 1286541716 CCLJFXDNYJKSDI-OAHLLOKOSA-N 432.366 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cnn(C)c1C 1286569433 PODVEVRLKZQANS-UHFFFAOYSA-N 446.555 4.610 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cscc1C(F)(F)F 1286583534 XTMKFDWXBHYQCC-YOEHRIQHSA-N 444.523 4.533 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286591520 ZXSWNEFRJSXSMZ-ZWKOTPCHSA-N 433.394 4.924 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1286592386 BXZVUFABPIFCCX-RTBURBONSA-N 431.625 4.572 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@H]1C 1286602906 DVMSHNFSXSFVDI-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1286613319 XJTBYFDOXTXFCX-CTNGQTDRSA-N 430.568 4.676 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1Cc1cccs1 1286633467 RXWHHXUKICTXBX-SFHVURJKSA-N 428.989 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC)[C@H](C)C1 1286666700 DJBQIBSWQDGIHD-MOPGFXCFSA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@H]1C 1286668308 REHGJTDOVXJINI-CYBMUJFWSA-N 425.396 4.597 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@H]1C 1286714543 RLBLEULKEXIRJY-JKSUJKDBSA-N 439.387 4.991 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCCC1 1286743553 KZWZHXULBIULBF-NRFANRHFSA-N 430.600 4.573 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1286748608 XKZRGLPHFJXPOS-WOJBJXKFSA-N 436.579 4.725 30 10 IJEE C=C(Cl)C[C@H](NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)C(=O)OCC 1287777035 MMEQCPSVPMVGEZ-QFIPXVFZSA-N 436.939 4.943 30 10 IJEE C#CCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1290040040 BBDUFOOFCMWRAT-UHFFFAOYSA-N 449.370 4.690 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1scnc1C)C(C)C 1296484386 HKZAVRCUOATHTQ-HXUWFJFHSA-N 438.601 4.669 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)[C@H](C)CC 1300563929 PXCSHHLFHNGOEF-KBMIEXCESA-N 438.641 4.536 30 10 IJEE C#CCN(C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CSC1 1300608903 AMMUTTYWVRTXAL-PDGQHHTCSA-N 434.586 4.813 30 10 IJEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1ccc(Cl)s1 1300742327 FDIPQRRVHDTUFB-UHFFFAOYSA-N 442.013 4.925 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(C)o1 1300777122 RIXONKVCUJXJRP-IBGZPJMESA-N 440.544 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CC(O)(CC)CC 1300816404 NRJDRXRRQRGBAW-RUZDIDTESA-N 438.616 4.832 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS1 1300912635 HMMQZEMASKLWPS-RBUKOAKNSA-N 449.665 4.691 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1300983378 IEMDNMHKYSZZKO-XXBNENTESA-N 433.556 4.529 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC)c2ccccc2)CC1 1301109481 JPXHMCQCVGYFSF-BKMJKUGQSA-N 438.616 4.915 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301120493 TTYSVDRDUFPROD-FQEVSTJZSA-N 429.609 4.738 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1301135002 QMWGQEZXXHHURU-KBMIEXCESA-N 426.605 4.619 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 1301165998 NXTPMKHKHRFHSL-NZQKXSOJSA-N 449.643 4.894 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1301259108 DOIRZWHELXZBPL-OALUTQOASA-N 430.543 4.756 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@@H](C)N1CCCCC1)C1CC1 1301330244 JCEPKLFZIVEGCN-GOSISDBHSA-N 429.559 4.566 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@@H](C)C1 1301347646 ZAEVMDLFFCMCTP-JJTGBXKASA-N 438.616 4.948 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)cc1C 1301406836 WIDALBFZIQRPNQ-UHFFFAOYSA-N 442.567 4.591 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)c2cccc(OC)c2)C1 1301542170 KUMZMERLGOHNRG-OAQYLSRUSA-N 436.556 4.614 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC2CCCC2)C1 1301556522 JYWSXJGBVYVQPC-IBGZPJMESA-N 430.543 4.899 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC(C)(C)COC 1305554855 HONRHMHSEUKUGC-UGKGYDQZSA-N 439.604 4.694 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)s1 1305961370 FRBUYKPLURWLBB-HZPDHXFCSA-N 427.549 4.968 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2sc3c(c2c1=O)CCCC3 1307260707 FHVDITGMHYNCCQ-YQQAZPJKSA-N 445.654 4.556 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 1310374817 YVMRIKUVOONTCF-UHFFFAOYSA-N 434.870 4.544 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cc1 1310888243 DHKOJZJOGYGXGG-WOJBJXKFSA-N 443.956 4.775 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1ccccc1 1312678561 LMXOAAAGWOAKJO-WOJBJXKFSA-N 437.893 4.939 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)NC(C)C)cc1 1350075924 DNAGIRWIMDBOSQ-UHFFFAOYSA-N 429.495 4.991 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 1352239192 VKEHZTYEGCQSQA-KRWDZBQOSA-N 430.545 4.784 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(CC#N)cc2)c(C(=O)OC(C)(C)C)c1C 1355098292 CHOMVWURFZSHKX-UHFFFAOYSA-N 428.510 4.507 30 10 IJEE C#CC[C@@]1(C(=O)O[C@H]2CCc3c(OCC4CC4)cccc32)CCCN1C(=O)OC(C)(C)C 1356457964 KXLSKUYZHXNYCA-NVQXNPDNSA-N 439.552 4.799 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)C(F)(F)F 1358953441 XRYXQJQZWKEHEW-UHFFFAOYSA-N 435.277 4.822 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1F 1359097831 UORKXUROAIOQMR-YDHSSHFGSA-N 435.547 4.966 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1359131253 MZIXMQPUZCRJEA-IBGZPJMESA-N 439.629 4.751 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359205245 QYMBRGLZRNXGGD-UHFFFAOYSA-N 439.604 4.667 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1359216760 CPVWJUXPOGRFQW-RTBURBONSA-N 430.543 4.756 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)OC 1359264171 WTQFTLGNNDYEBI-UHFFFAOYSA-N 432.540 4.826 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2occc2C)C1 1359313891 SUJSCALDPYYADE-PXNSSMCTSA-N 442.947 4.803 30 10 IJEE O=C(OCc1cccc(OC(F)(F)F)c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 1435369430 DJHCWFLTGHJHER-UHFFFAOYSA-N 449.282 4.681 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 1437634801 BOUPZZBKMDOFGI-UHFFFAOYSA-N 437.952 4.815 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 1443629200 HHRWSXURCRYTJV-MSOLQXFVSA-N 436.524 4.572 30 10 IJEE C=CCCCCCN(C)C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 1444423541 LZBMIEQTDKSHIW-OALUTQOASA-N 442.629 4.540 30 10 IJEE COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1451453043 FJDBWCVCEQZOMM-UHFFFAOYSA-N 449.482 4.691 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(F)ccc1Br 1460780499 HKFQLSYBDLXZJT-UHFFFAOYSA-N 430.071 4.563 30 10 IJEE C=CCC1(CNS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CCCC1 1463692863 VQTAGEQEPPHGNL-UHFFFAOYSA-N 441.416 4.987 30 10 IJEE Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1 1465557102 DCJLSWIISFIIMJ-UHFFFAOYSA-N 449.319 4.555 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1 1466369743 GPNQQHGRDUGFFE-UHFFFAOYSA-N 436.920 4.836 30 10 IJEE C[C@@H](NC(=O)CCc1ccccc1N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1466800724 GULGCNWFXQVQEH-OAQYLSRUSA-N 439.559 4.872 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)C(=O)OCC 1468125133 KIGGLIPTWCHXAB-NRFANRHFSA-N 448.519 4.547 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccccc1 1469468732 NQRMXIKXBWWCDG-QHCPKHFHSA-N 427.976 4.754 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 1474367431 AMMIHFTXFFWFFU-UHFFFAOYSA-N 437.996 4.793 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1Cc2ccccc2N(C)C[C@@H]1C 1476728956 NOQOSRRFQXDNTR-HNNXBMFYSA-N 430.346 4.886 30 10 IJEE C=CCN(C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)[C@H](C)COC 1478157360 BSMHVZLVMWHCTE-ZIAGYGMSSA-N 438.391 4.866 30 10 IJEE Cc1ccc(SCc2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(F)cn2)cc1 1492452297 GLEDHNPZJHJOQM-UHFFFAOYSA-N 436.560 4.591 30 10 IJEE CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1499398631 GLFQAIDVAOBXIC-LPHOPBHVSA-N 436.947 4.569 30 10 IJEE CCCN(CCC)CCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C#N)CC1 1500852679 FDKKHUFGXJZDBX-UHFFFAOYSA-N 445.615 4.745 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@](C)(CC)C1 1507559205 YMBBCVFYWHVLOU-UUOWRZLLSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1507563428 VRQPUHCPQIWSAF-LJQANCHMSA-N 440.588 4.550 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1507573896 KRLPKPZOPOXSOZ-HXUWFJFHSA-N 441.595 4.529 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(F)(F)F)cc1C 1507663860 KYHBWKOVTBTJCR-UHFFFAOYSA-N 426.442 4.685 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1507802676 CMYVPLLVOYWRBX-NQIIRXRSSA-N 428.602 4.544 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2ccnc2C)CC1 1507892646 WADSUCAXPZQUPG-UHFFFAOYSA-N 443.020 4.975 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2(COC)CCC2)CC1 1507909678 OIXMGPONPPHLPM-NHCUHLMSSA-N 430.637 4.806 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOCC2(CC2)C1 1507926244 CQGQPSVPPZYCKK-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](CC)C1)c1ccccc1 1507930420 WWQNIRWXFHJLLU-ZTCOLXNVSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(N2CCCC3(CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507937254 ORBCVUMCZODZST-KDURUIRLSA-N 429.609 4.786 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1507961509 AHQJGXQZISXXBO-NTKDMRAZSA-N 447.583 4.837 30 10 IJEE C=CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C(F)(F)F)cc1C)C1CC1 1507996709 IOWZONJUCGKROA-UHFFFAOYSA-N 427.474 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1508005931 CEYJJANUQDMCTP-IBGZPJMESA-N 435.597 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCC1(C)C 1508018750 YYFTYNVOEDCUAL-IBGZPJMESA-N 446.599 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCc2cc(OC)ccc21 1508021097 UFUVHQHXQYABQB-OAQYLSRUSA-N 429.568 4.571 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1508160785 WJJRHSZPWRBWGF-KBWCOIMZSA-N 448.677 4.655 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC#N 1514035276 FJODGSKQUBVEBF-SJLPKXTDSA-N 432.975 4.740 30 10 IJEE C#CCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1518008722 WKKXPLCFTVEHFK-UHFFFAOYSA-N 428.923 4.895 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)CCCN1C(=O)OC(C)(C)C 1520259548 CYYDMNAPMHEQKG-VWLOTQADSA-N 436.556 4.529 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C2CCC(C)CC2)CC1 1539141134 YNNXXACLYVVTBU-UHFFFAOYSA-N 449.643 4.534 30 10 IJEE C=CCCCCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1539609752 URBJPOFHDJPHRV-UHFFFAOYSA-N 434.646 4.574 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cc(C(C)(C)C)no1 1539651824 LDKFHJWRJACDEQ-UHFFFAOYSA-N 439.560 4.699 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1539794327 XYEVLEVAIBVXIZ-INIZCTEOSA-N 428.993 4.804 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(CCOC)CCC2)CC1 1539829281 WOQZUSPXNACGLB-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](CC)N2CCCC2)CC1 1539859949 YXDDBXWLRFLZOT-HXUWFJFHSA-N 441.645 4.610 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOCC(=C)C)CC1 1539877985 NHVBWXPJCQUKSK-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1539894608 NPZFPQMYIZFSNL-PKTZIBPZSA-N 435.660 4.976 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1540915398 KZLCAVFRJJCLJN-VQTJNVASSA-N 449.020 4.670 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)Cc1ccccc1 1544142790 HXFSCXVWRRUGAN-JOCHJYFZSA-N 442.987 4.993 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 1544273155 GWTLUKPUSZZTCB-REWPJTCUSA-N 434.632 4.810 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(-c2ccccc2C#N)cc1 1559606597 FRDAVDFKVXHUDF-UHFFFAOYSA-N 445.588 4.818 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@@H]2CSCCN2Cc2ccccc2)cc1OC 1560438618 BFBLZXPJZJHNKH-HXUWFJFHSA-N 433.017 4.621 30 10 IJEE C#CCN(C(=O)Nc1cnn(C2CCCC2)c1)[C@@H]1CCOc2ccc(Br)cc21 1563279284 QLQOTOTXVDXDEB-LJQANCHMSA-N 443.345 4.752 30 10 IJEE C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1564547015 DRZNLCFKNADIGX-YADARESESA-N 430.552 4.627 30 10 IJEE C#C[C@H](NC(=O)N1Cc2ccc(Br)cc2C1)c1ccc(Br)cc1 1564998903 FCIJEAPWDCGQJC-KRWDZBQOSA-N 434.131 4.611 30 10 IJEE C#CCN(CC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)C(=O)OC(C)(C)C 1565567500 JUHUZUYFQMILFK-UHFFFAOYSA-N 427.932 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCC(F)(F)F 1587672761 GGHLHMBVXSLPEZ-GFCCVEGCSA-N 435.277 4.964 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1587759801 ZVRPXDGOKZKZCE-ZEQRLZLVSA-N 431.584 4.654 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)Nc3c(C)c(C#N)nn3-c3cccnc3)cc2)cc1 1588079907 BUVGRYHBHVFGGR-UHFFFAOYSA-N 437.459 4.695 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)CCSCC 1589421370 KIQNYSHMEXSJKB-OAHLLOKOSA-N 441.414 4.885 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1589434401 GEOJWFVKSWZHKG-HXUWFJFHSA-N 445.405 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@@H](C)C1CCC1 1589506178 SJWFVFPMNNDUAW-WEYGHZABSA-N 439.560 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1ccc(OC)cc1 1589528895 JHUXYDBRDKJQAM-MZYLBHOOSA-N 440.588 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1589636755 FUYMTNHVROQFEZ-DEOSSOPVSA-N 448.615 4.532 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1593757668 LWPUSFGRJBGDBE-QFBILLFUSA-N 441.428 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1594478856 YOBOGAQONSBKMB-UHFFFAOYSA-N 434.588 4.578 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1594545234 RYLRBQJNLQHOCL-DNQXCXABSA-N 431.584 4.951 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1CCN1CCCC(C)(C)C1 1595076106 UGUIMROHFXPZCX-UHFFFAOYSA-N 437.632 4.869 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCN(C)c1ccccc1 1595344034 ZRWNGYQUUSOCGG-UHFFFAOYSA-N 432.391 4.528 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N(C)[C@H](C)c2sc(CC)nc2C)cc1 1595613918 KQZFWCQQCWMPTL-QGZVFWFLSA-N 425.602 4.978 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C1 1595700987 VPJHFASUELDOJU-SFHVURJKSA-N 439.972 4.556 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc21 1595844907 JJTKILJAHJFPKS-UHFFFAOYSA-N 444.402 4.660 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(CCc3ccccc3)nnc2N(C)[C@H](C)CC#N)C1 1612662030 BVDLIOSEKWPZCR-BHIFYINESA-N 436.648 4.558 30 10 IJEE CCc1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)s1 1613846626 CHVMGEJAFJWDRS-UHFFFAOYSA-N 434.594 4.624 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC#N)CC1 1614537527 GKAUKPHHIRKGQP-XMMPIXPASA-N 445.615 4.601 30 10 IJEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](SC)C(C)(C)C 1615563094 DIRXSFAIYDTJMM-VQTJNVASSA-N 427.618 4.600 30 10 IJEE C=CC[C@@]1(C(=O)N2CCOc3c2cccc3C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1616265427 XLRIPZHBIOFKNP-NRFANRHFSA-N 440.462 4.777 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2Cc2sccc2C)cc1 1616396723 HFNCABYIVVGAAV-ZWKOTPCHSA-N 439.585 4.973 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)OCC)C(C)(C)C 1620595196 PJZONRQPHYAAOD-UHFFFAOYSA-N 432.973 4.917 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl 1621327031 GIZOTPNCKCXXJE-UHFFFAOYSA-N 428.964 4.564 30 10 IJEE CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1F 1621804137 CFZJWUWFDYBOJY-UHFFFAOYSA-N 442.899 4.949 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cccc([C@H](C)C(=O)OC)c1 1625543256 YFIWQOJNARUYEE-ZDUSSCGKSA-N 433.302 4.934 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(Br)cc1N 1626170575 FHRXPWBVQPJICT-UHFFFAOYSA-N 426.108 4.611 30 10 IJEE O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1631779092 ZJIWQJKEALWASV-CQSZACIVSA-N 449.326 4.867 30 10 IJEE N#CCc1ccccc1CC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1632097970 CYVJXALGZLXNNK-HHHXNRCGSA-N 443.978 4.882 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 1632367172 ICZHPIQXQUWZOY-KSSFIOAISA-N 444.457 4.524 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC([C@@H](F)c4ccccc4F)CC3)n[nH]2)c1C 1636264908 KOULKGJUFFVDAR-HSZRJFAPSA-N 439.510 4.778 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 1639991865 IIKOMUNHSGGTJQ-QGZVFWFLSA-N 434.487 4.553 30 10 IJEE COc1ccc(C(NC(=O)CSc2cccc(F)c2C#N)c2ccc(OC)cc2)cc1 1641162701 FECJZHUPVLSLNW-UHFFFAOYSA-N 436.508 4.712 30 10 IJEE C=CCn1c(S[C@H](Cc2c(F)cccc2F)C(C)=O)nc2cc(Cl)ccc2c1=O 1643356679 DSAQEGJUMQINSF-LJQANCHMSA-N 434.895 4.807 30 10 IJEE C#C[C@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 1651098918 MLYNVSDLKGWGAM-ZDUSSCGKSA-N 436.224 4.668 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCC(=O)c1cc(F)ccc1F 1652234621 CFNZSRAAFWZTEB-UHFFFAOYSA-N 431.030 4.623 30 10 IJEE C=CCn1c(SCC2(C(=O)OC)CC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1652412728 ZEUYLSSMNGQYGF-UHFFFAOYSA-N 444.553 4.804 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3cnc4ccc(C)cc4c3=O)c2C#N)C1 1652600883 HMEPNKFPLGHQFN-INIZCTEOSA-N 448.592 4.818 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N1CCc2sccc2C1 1653289987 PXRASFAHCDHIHX-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE CC(C)Sc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 1654096862 FEAQEGZPYIRWAR-CYBMUJFWSA-N 439.400 4.861 30 10 IJEE C=CCn1c(SCCC(C)(C)CC(=O)OCC)nc2sc3c(c2c1=O)CCCC3 1656066770 GFKGHPNYUOREGO-UHFFFAOYSA-N 434.627 4.984 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3c(F)cccc3F)C2=O)nnc1-c1cccc(Cl)c1 1656402720 AWCBLQFWHTXRBW-KRWDZBQOSA-N 446.910 4.960 30 10 IJEE Cc1ccc(S(=O)(=O)N[C@@H](CN(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2)cc1 1657115145 BGVQVGQCOHFUEA-SANMLTNESA-N 447.604 4.797 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)c1 1659230842 ZOJWNBHETPSPQO-DHIUTWEWSA-N 449.551 4.613 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2c(C(C)C)nn(Cc3ccccc3)c2Cl)c1 1663850747 PRWBZJOCGOSBFS-UHFFFAOYSA-N 434.971 4.760 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc(OC)c1OC)c1ccc(C(F)(F)F)cc1 1668176243 HFWLOPYQHCYXRV-MRXNPFEDSA-N 429.460 4.708 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 1675119981 GUZJCEDFRBEGCD-LOSJGSFVSA-N 435.612 4.955 30 10 IJEE C=CC(C)(C)CCCNC(=O)NCC1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 1681853703 ZZHLMBYCILMELX-UHFFFAOYSA-N 433.637 4.998 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1 1683733723 JIEFJNGSQKQAES-QHCPKHFHSA-N 439.987 4.834 30 10 IJEE CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1685894307 HKYRVECEJMOFSV-AVYPCKFXSA-N 430.346 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](c1ccco1)N1CCCC1 1689829438 YKPUFYDHNGKAQA-MDNUFGMLSA-N 431.584 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1689831689 PLMVIGLXRTVXNA-YADHBBJMSA-N 433.644 4.717 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1689877123 QXIZKFGTOYXDTK-FPOVZHCZSA-N 440.563 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)C1CCCCC1 1690200073 KADBCIRBQHVTJZ-RPWUZVMVSA-N 426.992 4.922 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(F)(F)F)CC1 1690244181 URDYBUWPQIQJKK-UYAOXDASSA-N 449.521 4.799 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1F 1690250897 MTXGMELBWOUSAV-DENIHFKCSA-N 426.561 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H](c1ccsc1)N(C)C 1690260439 LBAUGYCABAESIP-FQEVSTJZSA-N 425.602 4.721 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690332463 ATPQWWIAPQKOPU-BETUJISGSA-N 439.785 4.951 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690353080 ZDAFOLXJHJKNHY-HLAWJBBLSA-N 445.007 4.903 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690419990 HSPZIRLKVKCLNM-JKSUJKDBSA-N 449.441 4.557 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690453355 AOBOOLVNVFXPNE-UHFFFAOYSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2C[C@H]1CO2 1690468325 YKQQLYQVHOCIKS-IRXDYDNUSA-N 437.371 4.888 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1F 1690601172 SEXGTXQRFGFYSF-FQEVSTJZSA-N 441.551 4.716 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2(COC)CCCC2)C1 1690688726 ZSFUSSZADLXBER-OAQYLSRUSA-N 445.007 4.977 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(Cl)cc1F 1691010375 GKZXDPXBIYKIND-LSBZLQRGSA-N 433.959 4.633 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705513634 TVBOFETZEUTYDO-UHFFFAOYSA-N 447.627 4.676 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1705530146 JWLWEUSKHNFUGR-FCHUYYIVSA-N 434.613 4.655 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC1CCC(OC)CC1 1705577665 OTKIEMSCGBKQEP-UHFFFAOYSA-N 432.612 4.911 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H]1OC 1705621061 PXMSURZQVJNSNS-IFMALSPDSA-N 438.572 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCC(F)F 1705697952 YZVJCQRHOULDFM-UGSOOPFHSA-N 428.886 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 1705707157 GBCGJIXQDMNKEB-VTJKKSGASA-N 430.637 4.803 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCCC[C@H]2CC)CC1 1705770224 WHLHONQPJNJBJL-JOCHJYFZSA-N 428.024 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccco1 1705791663 BAXCCHPEHVZYHS-IBGZPJMESA-N 449.603 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CC)C1 1705791936 INBPXRXZQCZYOJ-HXUWFJFHSA-N 437.636 4.681 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705803489 RZGSTSZKMVDNQW-UHFFFAOYSA-N 445.011 4.539 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1705816106 UZXFTKXMFYDFED-JOCHJYFZSA-N 437.975 4.910 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CCc1ccc(Cl)cc1 1705879780 LFKZSVFLLUNAHR-OAQYLSRUSA-N 426.948 4.854 30 10 IJEE CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC(=O)N1CCCCCC1 1708417758 HGXCXULIPHVIEL-FQEVSTJZSA-N 448.615 4.625 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)c(F)c1 1722322322 JEZLLMXJXPUTGM-WIYYLYMNSA-N 430.543 4.915 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)S[C@H](C)C1 1722339028 QFDIMBQKJSGPLC-RTBURBONSA-N 447.048 4.995 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1722339285 SGPZQWWXRHWUFG-GOSISDBHSA-N 428.512 4.812 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1722363349 XDHGPTDWBJSEIL-VXKWHMMOSA-N 439.673 4.706 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCc2ccc(Cl)nc2C1 1722484113 GEGMDAHUPHAGGN-UHFFFAOYSA-N 444.764 4.773 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2nccs2)C1 1722591021 DGDFYXYDKJKFJS-FQEVSTJZSA-N 437.613 4.814 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1722602449 AXZBBNRBTZVEOD-NRFANRHFSA-N 433.531 4.935 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1722630024 SWODMUCJYTZPBF-HSZRJFAPSA-N 432.996 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCc1cccnc1 1722664430 ZLOYGYSPMCXBRW-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722738906 QIFKTSGPFZHGML-UHFFFAOYSA-N 429.634 4.537 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCc2c(F)cc(F)cc2C1 1722742340 QKFNWHWPPMVEHB-UHFFFAOYSA-N 432.565 4.691 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1740568654 LGDBSJNMMKFWIZ-UHFFFAOYSA-N 430.581 4.769 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOC(F)F 1740646911 LLLLYBRJIXSIGD-UHFFFAOYSA-N 448.926 4.905 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OC)CCCCC1 1740664356 NIVMUTYKAWCEQS-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=C)c1ccccc1 1740675764 WLFGWJDKBVEPEF-NRFANRHFSA-N 435.572 4.523 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1740752059 RZPJPOAEFHPUTN-OYDLWJJNSA-N 448.615 4.654 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1740784863 YXXPYIHQVZFPNZ-LPHOPBHVSA-N 431.378 4.965 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](CC(C)C)N(C)C)CC1 1740840974 FIACKMXRYNGEDV-HSZRJFAPSA-N 439.648 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740844377 HWJKJSYDKFRXHO-YJBOKZPZSA-N 438.494 4.712 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740859711 PUULSDXPMSCALM-YUXAGFNASA-N 442.629 4.720 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740877016 QZWJGCCPEYNXHX-UHFFFAOYSA-N 436.991 4.512 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(c2ccccc2)CC1 1740880051 VIWDZQGQDIIFRL-UHFFFAOYSA-N 435.597 4.620 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740884383 ZHJXFLMGRBDREZ-GOSISDBHSA-N 441.601 4.842 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N(C)Cc1cc(Br)cs1 1740886153 YCGCEACCJBRBQR-UHFFFAOYSA-N 425.396 4.599 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCCC1(C)C 1743935537 AOXACJNEVMWJKG-LPPUWEFUSA-N 435.616 4.891 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCCCC2)cn1 1745815045 DJALMBLOBRGVFU-UHFFFAOYSA-N 430.556 4.818 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1748725291 YMEYTCNDSPAPFR-UPVQGACJSA-N 425.665 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC1CCC(C(F)(F)F)CC1 1748882572 XLUQPRBVIFWNAH-UHFFFAOYSA-N 444.501 4.785 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1N(C)CCCC1(C)C 1748915404 YBXPNUSVZAUIJU-PGRDOPGGSA-N 439.673 4.711 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1Cc1cn(CCCCC)nc1C 1748915423 YQHXFQFTGCALFF-UHFFFAOYSA-N 430.556 4.894 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)OC1CCCC1 1749027718 STDFNXWNGHVFQF-UHFFFAOYSA-N 449.418 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CC1(SC)CC1 1749056554 KWXBLAYMYAHHAW-LJQANCHMSA-N 449.393 4.734 30 10 IJEE C=C(Br)Cn1c(CC)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1749103576 CCCCZGLREKITDY-CQSZACIVSA-N 446.162 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@H](SC)C1 1749125836 YRQWHAMRDYEWJH-BVSLBCMMSA-N 442.629 4.657 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(N(C)C)CCSC1 1749146314 CEBYJNTWTYGMHE-QHCPKHFHSA-N 425.602 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CCCNc1ccccn1 1749149684 CYKUSINDMNUZDX-UHFFFAOYSA-N 427.556 4.793 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCOC(C)(C)C)CC1 1749294038 LFFXQFPSFBGLML-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOCC2(CCC2)C1 1749356188 YNHHCNWMAUHASW-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](CC)C1 1749356240 ZKNWKUFJNDWOOI-GOEBONIOSA-N 436.398 4.642 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H]1CC 1749424339 GPWMMXGOXGSSEO-MOPGFXCFSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCc1c(C)noc1C 1749531974 OQIOYPKAEOUDQJ-UHFFFAOYSA-N 430.556 4.848 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1Cc1ncc(CC)s1 1749547321 OHDZAJMFDAMPOJ-UHFFFAOYSA-N 448.571 4.663 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1c(CC)noc1C 1749561290 LIBVOWVJQXEWNA-UHFFFAOYSA-N 442.361 4.793 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1749646413 QNDAVDNHBZQASM-NRSPTQNISA-N 437.588 4.919 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](OCCC)CC1 1749690049 MARMDNCPHAAKSA-NRFANRHFSA-N 435.572 4.672 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)c1cccs1 1760195474 DWLKJJTXBDBRFG-UHFFFAOYSA-N 440.519 4.659 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Sc1ccccc1 1760239152 YENIDVRGMBMGGM-HMXCVIKNSA-N 426.630 4.837 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760351601 JKMKCRGSQFTSOK-RTWAWAEBSA-N 439.648 4.754 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C)CC1 1760368556 GJIDRQTWQZTGPE-UHFFFAOYSA-N 425.758 4.705 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](OC)C(C)C)CC1 1760384532 AVVOMRCIFKYOLD-QHCPKHFHSA-N 436.556 4.945 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1760447488 OOWADDFNVLHFLZ-ZWKOTPCHSA-N 448.995 4.668 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760477603 FKQBKGJKYJDTJD-CEQLMSFQSA-N 426.605 4.980 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccccc1C1OCCO1 1760483948 HPTKSGFWXUQKEW-UHFFFAOYSA-N 438.597 4.923 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1cc(Cl)ccc1OC 1760499740 HYCSEKUIVQIRKZ-UHFFFAOYSA-N 437.931 4.812 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1760567939 RETVVULOACBGSI-NRFANRHFSA-N 430.593 4.647 30 10 IJEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C(C)C 1767050442 CWRDSVDBURGAAG-NRFANRHFSA-N 434.613 4.778 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862402387 XQVUOADRROAHAQ-XMMPIXPASA-N 442.515 4.740 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862417678 XDRFDOWITAGHSW-IBGZPJMESA-N 435.854 4.623 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cc(Cl)cc(Cl)c1 1862444469 ZDYVDFHTYPGDAG-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccccc2Br)ccc1F 1862510279 ZWAASTHRTULLPW-SFHVURJKSA-N 430.273 4.637 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC)cc1OCC 1862513401 UWUGZJDLPRZASE-QFIPXVFZSA-N 441.499 4.920 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1 1862662936 NUEHCCRWKPLBOS-JOCHJYFZSA-N 425.500 4.952 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc(OC)c1O 1862670080 LQFKJLFEPRFOHP-NRFANRHFSA-N 439.508 4.520 30 10 IJEE COc1ccc(C)cc1NC1=C(c2cc(C)ccc2C)C(=O)N(c2cccc(C#N)c2)C1=O 1863030952 UFFHTJRGZQHWTR-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE CCOc1ccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863036868 JTQUTRDIXUKEIV-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2cc(OC)ccc2OC)C1=O 1863717878 FPCVAMFNVNDSEK-UHFFFAOYSA-N 430.589 4.780 30 10 IJEE CC[C@@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 1867048549 FQSNUQDSBODYDO-XMMPIXPASA-N 432.549 4.538 30 10 IJEE CC(C)(NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867122933 OUVRHTKCBUGICW-OAQYLSRUSA-N 447.485 4.892 30 10 IJEE CC[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867697091 OFWDJJGLVAJRRY-RPWUZVMVSA-N 427.504 4.677 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868377900 CMXVUUGYNGLYRO-OAQYLSRUSA-N 427.556 4.988 30 10 IJEE Cc1ccccc1C(=O)Nc1c(C#N)nnn1-c1ccc(OCc2ccc(Cl)cc2)cc1 1870156667 ZDDGNMGDCQIEDW-UHFFFAOYSA-N 443.894 4.932 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccc(F)cc3)c(CN3CCCCCC3)cc2=O)cc1 1870347941 APCXZVZZHNFUMU-UHFFFAOYSA-N 445.538 4.862 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(Br)cc2)cc1=O 1870811305 SUJNIBXRZIITOD-UHFFFAOYSA-N 435.362 4.603 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)c1OC 1871348114 RBQICMQFXHQVPX-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCCCN(C)C)CO4)C2=O)cc1 1871348326 DYFMSPULWJXZHO-UQQQWYQISA-N 449.595 4.643 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871425595 HBZCKZWZHUGVFM-VUZLNAKASA-N 433.485 4.973 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871782736 KWWGMGHTCBLFTO-GOSISDBHSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C)S(=O)(=O)CCCC 1872354466 LBERCGACOQUOAD-GOSISDBHSA-N 434.524 4.677 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872525038 UZEUGSZRAMQKKC-FDDCHVKYSA-N 428.598 4.924 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)CC1=O 1872996751 MFPHTMWPYGSRRJ-OFVILXPXSA-N 439.575 4.768 30 10 IJEE C=CCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873129997 VDHMJQBSMGATPE-UHFFFAOYSA-N 445.346 4.545 30 10 IJEE COc1cccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1873209696 MZURDDSOSOXVIL-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCn1c(C(=O)NCCCOC)cc2c(N(CCCC)CCCCCC)ncnc21 1873591300 GMYXZFSGEUOIEA-UHFFFAOYSA-N 429.609 4.570 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873594739 ACBJAAQEJQWAJU-CALCHBBNSA-N 437.975 4.683 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OCc3ccccc3)c2)cc2c(NCC)ncnc21 1873613586 IUTKHWGQMUFNIS-UHFFFAOYSA-N 427.508 4.880 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641646 DYULUNYDXYRDJY-UHFFFAOYSA-N 440.551 4.856 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)cc1 1874349514 PJGXJDVBXRXYPX-CVKSISIWSA-N 433.512 4.586 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OC)cc1OC 1874379921 SPXSVXJELGXLGJ-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)ccc1O 1874428745 ZMSZWXXXZFJHLL-KOEQRZSOSA-N 430.533 4.876 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)c1OC 1874481692 JLKPHEJEQBSQRK-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1F 1874577018 RHQZVEHSZLYEGN-CCEZHUSRSA-N 435.451 4.757 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2cc(OCC)c(OCCCO)c([N+](=O)[O-])c2)cc1 1874607365 KMOLUWNHQQOKRI-JLHYYAGUSA-N 427.497 4.993 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCC 1874609949 SKINLPOXOYBNFS-CSKARUKUSA-N 446.341 4.649 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)c1 1875102513 UWXJGAPIDRXMRG-PKNBQFBNSA-N 448.387 4.627 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117109 IVAJODKCZWGURF-CXUHLZMHSA-N 447.443 4.874 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1 1875119829 OSMMNQIMFITRCD-GXDHUFHOSA-N 432.472 4.757 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)cc1C 1875186820 LFBIUMFWPSJBMB-VOTSOKGWSA-N 438.398 4.693 30 10 IJEE COCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1Br 1875189034 UPMVAKFIZWIUHL-ZZXKWVIFSA-N 439.689 4.559 30 10 IJEE Cc1cc(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c(Br)s1 1879738366 UDVHRNMEWXSMNN-KZULUSFZSA-N 426.185 4.517 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@@H]21 1912177445 FAKLUJWJFWQCFJ-HYFFOGBASA-N 448.568 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cc(OC)ccc1Br 1922125210 LPJOJVVNWDSQQA-FCHUYYIVSA-N 434.374 4.632 30 10 IJEE C#Cc1ccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1 1951586065 UTGVINWQIDLMIJ-DQEYMECFSA-N 437.495 4.717 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)C1(C#N)CN(C(=O)OCc2ccccc2)C1 1955016244 BUQYHBOXWWTXRB-UHFFFAOYSA-N 441.915 4.996 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959031394 RHWCEUDOVXAKQL-GBXCKJPGSA-N 439.487 4.918 30 10 IJEE C=CCOc1ccccc1CNCCNC(=O)OCC1c2ccccc2-c2ccccc21 1960162699 IRZCTADZVOWWHD-UHFFFAOYSA-N 428.532 4.880 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(CC#N)CC1 1963192244 WCBUGNRBAFZBII-MHECFPHRSA-N 445.563 4.750 30 10 IJEE N#Cc1c(F)ccc(N)c1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1977665529 AAOSKFQHROARAA-UHFFFAOYSA-N 446.482 4.552 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNCc1ccc(Br)c(Br)c1 1991583157 RGQHHNAXNFJBHU-UHFFFAOYSA-N 448.199 4.772 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2020326649 LENLAYDWBIYCHK-WOJBJXKFSA-N 437.625 4.615 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)CO2 2052935011 ZWFIGTIWXRMAHA-QHCPKHFHSA-N 449.592 4.618 30 10 IJEE CC[C@H](C)[C@@H]1CSC(=Nc2ccc(Br)c(I)c2)N1 2081319679 QLMPFFFJNAIBEU-UFBFGSQYSA-N 439.160 4.792 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(Br)c1F 2089288654 JBBNXYCJYYERDE-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc(Nc3ncc(Br)cc3C#N)c2C1 2162417253 AGEDFARKJKVMIB-UHFFFAOYSA-N 429.318 4.753 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(Br)c(C#N)cc2F)C2(CCC2)C1 2174822157 NGFCFEYYICKJID-ZDUSSCGKSA-N 438.341 4.734 30 10 IJEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(F)c1Br 2193224560 JTQLCMBFYLOMOX-ZBFHGGJFSA-N 442.254 4.935 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@]1(CCF)CCCN1C(=O)OC(C)(C)C 2235723827 FHBOUNFLYYYJBZ-RXVVDRJESA-N 439.369 4.518 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237398013 JRDYRCASXJDLDN-OALUTQOASA-N 437.422 4.913 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1sccc1C#N 2241652085 NUBZAGPOSNYJJZ-UHFFFAOYSA-N 431.517 4.876 30 10 IJEE C[C@H]1[C@@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CC(C)(C)CN1Cc1ccccc1 2267455904 FMFGHIMLQZSVNF-FPOVZHCZSA-N 440.437 4.808 30 10 IJEE C[Si](C)(C)C#CC[C@H](OCCN)c1cc(Br)c(Br)s1 2276736392 AHMKBFFJBFKSFT-NSHDSACASA-N 425.262 4.560 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2280424873 WLDHAXRHKQDAFD-WIYYLYMNSA-N 439.369 4.518 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 2296132811 LHZKGAQBJXYDDG-OAQYLSRUSA-N 436.439 4.537 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296215717 CXVNPDIWFZUHDI-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@H](O)C#Cc3cccc(Br)c3)c21 2296221333 HTDVIMZVOJULKO-LJQANCHMSA-N 428.326 4.832 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)C(=O)C#Cc1cccc(Br)c1 2296224089 GWGXZQFFOGKOMC-OAHLLOKOSA-N 448.279 4.852 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296224981 PSNNPXVFNVRVPW-UHOSZYNNSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@H](N)C#Cc1cccc(Br)c1 2296285003 XEUHQPZUQMDDKH-HXUWFJFHSA-N 435.406 4.945 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(NC(=O)OC(C)(C)C)n1 2296311472 XIZQPQTUPNGDSR-KRWDZBQOSA-N 430.346 4.893 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 2296565368 IJSFPSFXZNEQFS-SFHVURJKSA-N 429.259 4.916 30 10 IJEE CCCOc1ccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296605002 VIRXOYSPEWSWES-NRFANRHFSA-N 436.439 4.537 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 2297062197 WJKBRXZPOGJMOR-IBGZPJMESA-N 448.525 4.993 30 10 IJEE C=CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C=Cc2ccccc2)cc1 2297485424 YCTZWTNAIZXSAT-UHFFFAOYSA-N 428.507 4.917 30 10 IJEE CCc1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2c2nnc(SC)s2)cc1 2297746190 MUMWHGALAYFGQK-HNNXBMFYSA-N 443.575 4.510 30 10 IJEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1 2313602082 FBLIBHJBHDEHOV-UHFFFAOYSA-N 426.933 4.690 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1c(F)cccc1Cl 2320992288 LKLIZVIBSHJWEO-UHFFFAOYSA-N 445.951 4.863 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)cc1 2322075991 BMCHEFRFAQYPAG-UHFFFAOYSA-N 433.504 4.964 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OCC(=O)OCC(C)C)c2)c1 2323260912 VLEOGAGWYAYIAE-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)OCC(C)C 2323969050 NRWWHIRIBYHKNV-UHFFFAOYSA-N 430.472 4.625 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)NCc1ccco1 2324178614 IWGYPUSLKNYBHU-UHFFFAOYSA-N 443.858 4.672 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3OC(=Cc3ccc(C)o3)C4=O)CC2)c1 2324190738 CSVXSNPPBGSAER-UHFFFAOYSA-N 444.531 4.849 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1 2324430153 PKCHCAIWWRTDGM-IBGZPJMESA-N 448.500 4.642 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)cc1OC 2325514220 ZBVDIUVBTPDDAE-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)c(OC)c1 2325713471 BRNOIKWCJLVSJZ-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccccc1C(=O)O 2327383380 SFCZIYNIXXOOAC-UHFFFAOYSA-N 436.537 4.668 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)OC)nnc1-c1ccccc1Cl 2329587843 OIOVBAYQZNSZIX-UHFFFAOYSA-N 444.944 4.535 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1C 2329622127 GBFIBOBFPXYZIO-UHFFFAOYSA-N 428.945 4.834 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCC)c(OC)c1 2329758578 ONQLCGUKWDTYBE-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccncc2)c1 2330242738 WXROQGCVAJVCSW-UHFFFAOYSA-N 448.596 4.717 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1cc(Br)ccc1O 2330399375 XOLUTFYUFAALPA-UHFFFAOYSA-N 435.372 4.559 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1ccc(CC)cc1 2331344358 IEFHBRKYBDJYOY-UHFFFAOYSA-N 429.634 4.806 30 10 IJEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331645553 MOFYNMCHUQKLMM-NRFANRHFSA-N 438.520 4.918 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1(C)CC1 2339578623 JNEJYFASPGQDJM-BJRSVTDJSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1)c1ccccc1 2342480247 BEZZYLBURSSVSH-DEOSSOPVSA-N 444.381 4.513 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2362723143 XVBRJJQGDJCDOL-MOPGFXCFSA-N 437.378 4.558 30 10 IJEE C=CCC1(C(=O)CCc2ccc(OC)cc2Br)CN(C(=O)OC(C)(C)C)C1 2364941469 FPUIIYKMCOXQIA-UHFFFAOYSA-N 438.362 4.773 30 10 IJEE Cc1cc(CN[C@H]2CCN(Cc3ccccc3)C(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369692489 PSZYNOGNVFNXES-DEOSSOPVSA-N 448.460 4.827 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Oc2nnc3c(c2C#N)CCC3)ccc1Br 2370353578 SCMPBXCWSVPKPV-UHFFFAOYSA-N 431.290 4.739 30 10 IJEE Cc1cscc1CN(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377419909 LTFNNGKPJADGBO-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE O=C1/C(=C/Nc2ccccc2F)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 20575850 JYBYFSLXAISCTD-WQRHYEAKSA-N 432.473 4.513 30 10 IJEE CCc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CN(Cc1ccccc1)CC2 33317866 TXEQWYIJLFKUAU-UHFFFAOYSA-N 442.588 4.805 30 10 IJEE CCCOc1cc(Cl)c(/C=C2\S/C(=N/c3ccc([N+](=O)[O-])cc3)NC2=O)cc1OC 33457602 PFYBEADFTZPJSW-ZDLGFXPLSA-N 447.900 4.937 30 10 IJEE O=C(/C=C/C=C\c1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21 33729864 GUSNRNDBVDHXCS-UJCPIUTPSA-N 427.475 4.789 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4cccs4)ccc3C2=O)c(OC)c1OC 33899041 QTCMMTIHNFEFFY-WOJGMQOQSA-N 438.457 4.609 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOC)cc1 34943303 XQXGSRKLKHQFEE-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE COc1ccc(C(=O)/C=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 34954428 ILDBOCWUUQFEGU-MLPAPPSSSA-N 433.416 4.727 30 10 IJEE COc1ccc(Br)cc1/C=N/Nc1nnc(SCc2cccc(C)c2)[nH]1 59019012 ICDYUIBRGCLPDJ-KEBDBYFISA-N 432.347 4.623 30 10 IJEE CC(C)(C)CC(C)(C)/N=C1\Nc2ccccc2CN[C@@H]1c1ccccc1S(=O)(=O)O 85393214 APHMOGYPQLWMDF-HXUWFJFHSA-N 429.586 4.803 30 10 IJEE COc1ccc(/C=C2/c3cc([N+](=O)[O-])cc(C#N)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100352560 MZGIFQDMJPFZCL-FMQZQXMHSA-N 444.359 4.861 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102735285 LCUMJTPPJIWSNP-QQYUXEJHSA-N 442.515 4.799 30 10 IJEE CCCOc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102736419 VIRXOYSPEWSWES-AGGMBTAESA-N 436.439 4.537 30 10 IJEE O=C(/C=C\Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cc1 103877220 FIKACGORPWFUKK-FPLPWBNLSA-N 426.064 4.928 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)cc1 169962105 MMKDZXCKZHDINW-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccc(C)c2)c1 169966152 YRNMNCCJZIRBRU-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCC[C@@H](CO)C2)C1=O 169985773 ZKKBXPWIFSCNIJ-HXUWFJFHSA-N 444.591 4.751 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1 169991042 NGMASRMYUZDFAC-OAQYLSRUSA-N 433.895 4.584 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 170066171 IAZYNYKVQGGHKF-HSZRJFAPSA-N 437.536 4.822 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 170068531 GUMYUKGDQYEMQV-JOCHJYFZSA-N 440.971 4.993 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc(O)c2)c1 170080199 XDABLMXGKAAISF-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OC)c(OCC)c1 170127511 HZCXGMHKMSMGOD-QFIPXVFZSA-N 434.492 4.564 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170135068 GZLPNTNLQSNEGD-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccs2)cc1C 170160468 VRPQONJFTVDEDP-OAQYLSRUSA-N 435.501 4.862 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(C(=O)OCC(C)C)cc4)CC3=O)n2)cc1 170180124 YNSJCIYWEWTCAF-UHFFFAOYSA-N 447.560 4.648 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccnc2)c1 170182688 JJNGAGFHUHQCST-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170201697 CLKQOEPKTGVDKR-OAQYLSRUSA-N 446.846 4.970 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc3ccccc23)cc1C 170220594 PXENHLVMYNSMPS-DEOSSOPVSA-N 445.515 4.772 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1O 170314711 MUNNJPTZECAYQG-QKKBWIMNSA-N 447.512 4.868 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccco1)c1ccccc1 170424508 ASNHXKPSSWFYBO-XMMPIXPASA-N 442.515 4.523 30 10 IJEE Cc1ccc(C)c(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)c1C 170536927 KCQYSEDJLAUCKN-UHFFFAOYSA-N 425.492 4.543 30 10 IJEE Cc1cc(C)c(NC(=S)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)c(C)c1 254478922 HFDHACVOZLVMGL-UHFFFAOYSA-N 446.551 4.988 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](COc3ccccc3)C2)cc1F 484521717 QBHOWLBACNDLOR-NRFANRHFSA-N 447.466 4.801 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 518558911 HRPWZKIEPZEDST-JOCHJYFZSA-N 439.943 4.880 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)c(OC)c1 526607038 MGKQXESYKZRDQW-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc1OC 526801413 PCCYALGMGPGVHB-CFRMEGHHSA-N 444.532 4.570 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(OC)c(OC)cc1OC 526812142 ZPOCPSGLJIKZBT-CFRMEGHHSA-N 440.569 4.658 30 10 IJEE COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 543212736 BPVXVHULUYVOGY-DNQXCXABSA-N 442.515 4.905 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1Cc1ccccc1OC 567314048 WAZWSKXVCYOYBT-CUYJMHBOSA-N 444.579 4.929 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCCC 719443927 PFIMESACKBABDP-IRXDYDNUSA-N 443.813 4.930 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(OCC(F)(F)F)c(C)c1 743477279 IEDLLYFIQFINFI-INIZCTEOSA-N 435.446 4.692 30 10 IJEE C=CCc1ccc(OCC(=O)O[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c(OC)c1 746137289 CASQLICEGSKBRY-AWEZNQCLSA-N 428.872 4.810 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC)cc1 790280617 INRFDGOKENMWHA-HXUWFJFHSA-N 441.528 4.761 30 10 IJEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 790562477 SWYNTLPIIKXSAC-QGZVFWFLSA-N 443.400 4.652 30 10 IJEE O=c1c(C(F)(F)F)cc(C2CC2)nn1CN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 800861903 BWKHQYPNEUGQMZ-SFHVURJKSA-N 449.370 4.687 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)c2)s1 805143321 GUZMBTZWTVPNAA-IBGZPJMESA-N 445.466 4.838 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(N2CCCOC2=O)cc1 814769962 MUZZLDHFEGYISL-UHFFFAOYSA-N 429.402 4.831 30 10 IJEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)C4CC4)cc3)c2C#N)C1 1124238755 DNMGSLUVOZXIMD-HNNXBMFYSA-N 442.606 4.959 30 10 IJEE C[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)N1CCc2ccccc2C1 1125584945 FSPACHYNZHVJBE-LJQANCHMSA-N 427.573 4.886 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)C(C)(C)C)cc1 1128143276 DDOWIDIJFUSNTD-HSZRJFAPSA-N 446.591 4.920 30 10 IJEE C=CC[C@]1(C(=O)NCC2(c3c(F)cccc3F)CCC2)CCCN1C(=O)OC(C)(C)C 1129747713 TYGPDHBAQJVSBE-XMMPIXPASA-N 434.527 4.849 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1(c2ccc(Br)cc2)CCOCC1 1129783452 AWCWNUCMYLAXLS-OAQYLSRUSA-N 428.370 4.801 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C 1130691759 FNDUDGJJPGRSJV-HSZRJFAPSA-N 438.487 4.957 30 10 IJEE C=CCCC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1131968321 QUBIPONBCQIIEE-UHFFFAOYSA-N 447.428 4.503 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1136493678 JYSZANZKVUVHBL-LEWJYISDSA-N 434.552 4.583 30 10 IJEE C=C(CC)CSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCN(CC)C3 1188447060 UCHIDKKAKOEWBW-UHFFFAOYSA-N 441.622 4.892 30 10 IJEE C#CCN(C(=O)Nc1ccc(I)cc1)[C@H]1CCCc2ccccc21 1196370794 OVVJGIYMJRFCIE-IBGZPJMESA-N 430.289 4.836 30 10 IJEE C=CCN(Cc1ccc(C(=O)OC(C)(C)C)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1205411837 PYSMWHUDICZRRS-FQEVSTJZSA-N 429.582 4.866 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1C#N 1205447981 CWKAVLDMYNCCQL-UHFFFAOYSA-N 446.507 4.580 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1)C(C)C 1220598558 WKMKCMCKAJYTFP-CTNGQTDRSA-N 434.422 4.647 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 1229051400 LZRYWWQXPXRWCW-HXUWFJFHSA-N 431.577 4.601 30 10 IJEE C#C[C@@H](NC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 1252448035 FFEATQXSWWGHFR-PKTZIBPZSA-N 448.954 4.600 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC)c1ccccc1 1254762600 HNTHYYIFRZWVTC-VXKWHMMOSA-N 445.604 4.751 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)ccc1F 1267000134 JTRCHPWAZDMXIL-JOCHJYFZSA-N 444.572 4.781 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCC1CC(OC(C)(C)C)C1 1286303148 PSBMAFGAHOWPQR-VRKFHHGPSA-N 433.600 4.723 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1sc(C)nc1C 1286368267 RAEAZADLKDCJHD-UHFFFAOYSA-N 447.564 4.503 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC12CCC(CC1)C2 1286416855 SHQABVZEXANWEY-UHFFFAOYSA-N 430.596 4.942 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](OC)[C@H](C)CC 1286420773 JQHYGAQMCNBTGG-TZIWHRDSSA-N 438.641 4.800 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC=C(C(F)(F)F)CC1 1286543623 ABZWVCJUYVXRGS-UHFFFAOYSA-N 433.297 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1C 1286582752 FJKBKUHWTFNTDO-MOPGFXCFSA-N 430.618 4.654 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286696769 QFVCJNLDFRFROK-KRWDZBQOSA-N 444.505 4.532 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCC(N2CCCCC2)CC1 1286705541 FIGZWCOYPHNBHL-UHFFFAOYSA-N 437.632 4.840 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1cc(C(F)(F)F)ccn1 1286722254 SRYHIBQKHWSQQJ-UHFFFAOYSA-N 440.473 4.716 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)SC)C1CC1 1286732569 ADQUJHHEPJXNAM-CYBMUJFWSA-N 437.407 4.623 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCc2c(F)ccc(F)c2C1)C(C)C 1286752254 XZQTVGFQXBNDFX-HSZRJFAPSA-N 441.570 4.695 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2cc(F)c(Br)cc2F)c(OC)c1 1287874015 YNGUKXSRJZSWIK-UHFFFAOYSA-N 427.241 4.587 30 10 IJEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1288575879 BECOMTFJQQWYLU-MHECFPHRSA-N 444.624 4.569 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H](C)C#N)n1 1290317309 DRFXNTNYZGJTIH-QAPCUYQASA-N 438.601 4.638 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)CN(C(=O)OC(C)(C)C)C1 1299493889 OOVDQCCVOGFWBY-UHFFFAOYSA-N 444.919 4.674 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOC)CCCC1 1300284635 UANVDXANFIKLOQ-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)CCOc1cccc(Cl)c1 1300848521 GLZJHJGPKBHOLA-UHFFFAOYSA-N 441.801 4.944 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1300888159 IHEVMTSLUBZFQI-VWPQPMDRSA-N 443.661 4.915 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC(C)C 1300896714 IRWSQMWHPFWXKJ-XMSQKQJNSA-N 432.996 4.974 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1301044349 HCALFKBSUVLGCT-IBGZPJMESA-N 430.911 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC=C(Br)C1 1301155468 OFKAFWMWEKBIQU-UHFFFAOYSA-N 436.423 4.725 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)C(C)(C)C1 1301186588 CPSMMSVQLFYPAB-HXUWFJFHSA-N 437.636 4.681 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1301236911 KONNKMFURFNGQL-CIAFKFPVSA-N 430.637 4.806 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccccc1CN1CCCC1=O 1301357052 HZFAOQPYRZPOMT-UHFFFAOYSA-N 449.624 4.826 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOc2ccccc21 1301397366 SIHSWEWSEAKOOZ-XKCSPQBFSA-N 436.600 4.941 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2nc(C(C)(C)C)cs2)C1 1301553013 CCKOPALNYIAQSA-INIZCTEOSA-N 441.576 4.668 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)CC1 1301611748 GXYWQUPIEPRCHT-LJQANCHMSA-N 449.665 4.548 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cccc(Sc2cccc(Br)c2)n1)C(=O)OCC 1303111986 PMOFAFWHBDDTAP-QGZVFWFLSA-N 449.370 4.623 30 10 IJEE C=CCn1c(SCc2ccnc(Br)c2)nc2sc3c(c2c1=O)CCCC3 1307261396 SHOWWOIPJALPBB-UHFFFAOYSA-N 448.411 4.973 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)NCCc3cc(Cl)cc(Cl)c3)CC2)c(F)c1 1311764633 CAUKQIMZZFCSEA-UHFFFAOYSA-N 436.314 4.800 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 1312987905 IIVRFHCBBDWBPS-VLCRHTCISA-N 445.579 4.916 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(F)cc2)CC1 1316534560 GPVOTMZVIHEQAB-UHFFFAOYSA-N 446.349 4.696 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1351046777 JTRDOJDLXQSVJR-NRFANRHFSA-N 439.581 4.880 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1353183029 ATUWKJOIMYTSEM-FCHUYYIVSA-N 431.536 4.666 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)c(C(=O)OCC)c1C 1355010916 ZUQDFUNQIZTNHV-LBPRGKRZSA-N 435.929 4.972 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(OC)ccc1OCC(F)(F)C(F)F 1357176652 URMSGZOWKYSWGG-UHFFFAOYSA-N 429.385 4.942 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCC1(C)C 1358953506 ZOGXONAQMAEQSM-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1csc([C@H](C)OC)n1 1359014232 BEGDAWJWDJJNTF-KRWDZBQOSA-N 441.626 4.551 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCc1nc(C)c(C)s1 1359068407 ZFJCKAVPURYANJ-JOCHJYFZSA-N 425.989 4.907 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1359076493 CWLFGILQPZSCST-UYAOXDASSA-N 446.437 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(c2ccccc2F)C1 1359112372 HWMIVSUYSNBZPK-SIKLNZKXSA-N 427.568 4.588 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(C)C 1359128051 IUZTWUMLERYXHK-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359145142 GZTXCICSQZBNLZ-QGZVFWFLSA-N 449.983 4.682 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)s2)CC1 1359161090 PAVLMCGOZFQNHH-UHFFFAOYSA-N 432.391 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359185937 OIDICBXULMSQLY-UHFFFAOYSA-N 449.574 4.656 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(CC)C(=O)C1 1359198926 FRUHVXWTZKJENJ-UHFFFAOYSA-N 441.645 4.690 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(C)(C)C)C1 1359202689 AAROCOQNWOMISJ-NRFANRHFSA-N 437.636 4.681 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1359251760 VLAUTNKODCBGTH-GOSISDBHSA-N 431.625 4.669 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1359261133 XRTWYLHXSSBQDD-PMERELPUSA-N 434.625 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@H]1C[C@@H]1C 1359262069 GIKSOEMFDATVRF-YJBOKZPZSA-N 440.569 4.806 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1359279929 YCDHOWWCKFLCRO-GMAHTHKFSA-N 436.556 4.653 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3Cl)cc2C1=O 1435095892 PLECLIPFWVWXBI-SNVBAGLBSA-N 437.710 4.920 30 10 IJEE CC(C)c1ccc([C@@H](CNC(=O)c2ccc(C#N)c(O)c2)N2CCc3sccc3C2)cc1 1441463609 IBXJMHPZNVLSHR-HSZRJFAPSA-N 445.588 4.978 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 1442073317 AZFBKUDBGLWVHH-COPCDDAFSA-N 446.563 4.535 30 10 IJEE CN1c2cc(Br)ccc2N(CC(=O)Nc2cc(Cl)ccc2C#N)CC1(C)C 1460042652 ADVKEQXMDCILQK-UHFFFAOYSA-N 447.764 4.648 30 10 IJEE C#CCOc1ccc(CN[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)cc1 1461180213 DQHWZYVSDCWCLM-WXVAWEFUSA-N 432.608 4.684 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1csc(NC(=O)OC(C)(C)C)n1)c1ccc(F)c(F)c1 1469857569 VQQHZBZGSUPHCP-INIZCTEOSA-N 438.500 4.885 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1471093851 KKUTTZLAQBLKTR-KOUNCHBCSA-N 443.588 4.884 30 10 IJEE C=C(Br)CNC(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 1476571950 UZPHKKLZCXNPRK-LBPRGKRZSA-N 425.541 4.787 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1507545575 LGKXXMCKMWJGRX-QGZVFWFLSA-N 447.539 4.626 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1507594501 QCZJCGGLULCTKN-REWPJTCUSA-N 434.609 4.895 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1507776931 AAJWBUTZKUIPJY-UHFFFAOYSA-N 426.318 4.733 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507839049 OUOFIQBIZYUQAR-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1507890064 XHLQYCQOXRCAML-UHFFFAOYSA-N 431.584 4.784 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1507892788 ZRLMEBAFZLEZNX-PMACEKPBSA-N 442.629 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1507911109 ILXBSVDEWOQGIN-LJQANCHMSA-N 444.023 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2cccn2)CC1 1507912683 RZQTVZMRYAXHDO-UHFFFAOYSA-N 449.559 4.569 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1C(C)C)c1ccccc1 1507921662 WVUODIGCUPQMRZ-YADHBBJMSA-N 444.583 4.910 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H]2C(C)C)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1507930211 UKGDGTQQGSPTND-PLXFJCCSSA-N 438.616 4.915 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCCC1(C)C 1507982684 PULMXDFZQVTZBA-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccn(C)n1 1508007591 FRMFCKPDRUCSKS-UHFFFAOYSA-N 438.988 4.558 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCc2ccccc21 1508015212 NMFVJLLYUXUNLS-KRWDZBQOSA-N 438.373 4.944 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 1522733292 DTIADJVIHCMEAD-JTQLQIEISA-N 434.311 4.855 30 10 IJEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 1522886340 HBDBNBKEIYCEME-UHFFFAOYSA-N 437.381 4.979 30 10 IJEE C#C[C@H](NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccc(Cl)cc1F 1525070616 WCRVKZKFXKCGDA-QFIPXVFZSA-N 445.881 4.591 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)cc1 1528315739 CQFHAMNKXMCGBD-RXVVDRJESA-N 443.588 4.625 30 10 IJEE C=C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccccc1 1532388151 TXAYDZJWPPFXRX-XMMPIXPASA-N 433.529 4.518 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H](C)c2ccc(I)cc2)cc1 1537415984 AXHBSFQYIVLTGB-AWEZNQCLSA-N 436.314 4.863 30 10 IJEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1)C(C)(C)C 1538022720 YVYMOOQUEKMIDF-UHFFFAOYSA-N 444.984 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOc1ncccc1Cl 1538984979 UMVRSMPXLWQATG-QGZVFWFLSA-N 437.975 4.828 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCC2(CCCCC2)O1 1539147578 ILIZEFIAXWYSRI-MOPGFXCFSA-N 426.536 4.509 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc3c(Br)cccc23)CC1 1539378811 BYUSWFATSMGTFK-QFIPXVFZSA-N 434.337 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=CCC1 1539640422 HQQVBLGBWNHDLT-IIBYNOLFSA-N 449.382 4.911 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1539677561 HELVDYWVUIPODW-AXHZCLLHSA-N 445.007 4.854 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1539787607 PRRPOPRDXYPGCY-KKSFZXQISA-N 448.995 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(C)C)C1 1539917447 VEWWMTUTHITCFJ-OAQYLSRUSA-N 437.636 4.537 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(CC)C1)c1ccccc1 1539948002 NPACQSQWNQFAGN-OZXSUGGESA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1539973648 APFNEORKQKTKLX-UHFFFAOYSA-N 437.632 4.977 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C(F)(F)F)cc1 1540108416 YURFKGOMQUKYJJ-SFHVURJKSA-N 431.391 4.981 30 10 IJEE C=CCN(c1nnc(Cc2ccncc2)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 1540111324 GXGXNPKDBLRGKJ-UHFFFAOYSA-N 443.473 4.560 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1 1540121615 LILMHVRTBZPFTE-PMACEKPBSA-N 442.567 4.608 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOC)[C@H](CC)C1 1540854098 GTSZNIXMOYJLHV-MRXNPFEDSA-N 446.020 4.546 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCCC1 1541106953 DBKUHAJGSKVJEE-IBGZPJMESA-N 440.661 4.747 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 1542713879 BNGPBWBCEDVNSF-FQEVSTJZSA-N 443.519 4.879 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)Cc4ccc(C#N)cc4)n3CCC(C)(C)O)cc2C1 1543865263 BZWKOEADOAIOSC-QGZVFWFLSA-N 449.624 4.800 30 10 IJEE C#Cc1ccc(CNC(=O)C[C@H](C)CCc2ccc(I)cc2)cc1 1544038516 LRGYHLHCMUOXIJ-MRXNPFEDSA-N 431.317 4.548 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2ccc(F)c(Br)c2C1 1560020788 MVBMOKPQKDKEFY-CQSZACIVSA-N 437.378 4.611 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 1584080553 DCCGCEDTYINOTQ-SFHVURJKSA-N 441.576 4.957 30 10 IJEE C=C[C@H](C(=O)N[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[C@H](C)CC)c1ccccc1 1585704626 JLAWZPHCIXONOO-NYMACZPPSA-N 432.608 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2Cl)C1 1585923553 AAEHSDUXALQZDA-HXUWFJFHSA-N 425.916 4.646 30 10 IJEE C=CC1(CC(=O)N[C@H](CC)Cc2ccccc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1586929948 ZBOJZWOUKOJVFI-QGZVFWFLSA-N 440.506 4.956 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1587783047 JOKQJCMMPUXTSI-JOCHJYFZSA-N 435.597 4.810 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3cc(Br)ccc3c2)c1 1587912506 ZYIGTXSWNKBOIY-UHFFFAOYSA-N 442.334 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1588276673 VAPRRBMHAKNHFP-HRFSGMKKSA-N 444.627 4.772 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(CC(C)C)C(C)C 1589569618 PQALFIHEXFJSFF-CVDCTZTESA-N 430.568 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1NC(=O)CC1(C)C 1589615447 QLSPFAJOBQZXNH-KRWDZBQOSA-N 436.387 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC2(F)CCC2)CC1 1594202355 MYIWAKBEWNRALE-UHFFFAOYSA-N 444.551 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1594484151 OAWFGESXMOEJHN-QFIPXVFZSA-N 431.584 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1594511078 KGVMUGKUVDGYKD-HXUWFJFHSA-N 448.590 4.720 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(CC)C1)c1ccccc1 1594552020 FAIYZEFTHJGRFZ-BKMJKUGQSA-N 431.584 4.629 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(C)(C)C)CC1 1594789009 XPMNDWLEPSIDTK-HSZRJFAPSA-N 439.648 4.723 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1594923118 ICWKCOPEHDBTKW-SIKLNZKXSA-N 442.604 4.816 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)OC(C)(C)C)C1CC1 1595033139 BJPVHYPWTFQQRA-UHFFFAOYSA-N 439.604 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCN(C)CC(F)(F)F 1595156953 SVQTXZULJJDGNO-UHFFFAOYSA-N 427.540 4.684 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC 1595260344 INFWNMZWFZJAHW-IBGZPJMESA-N 443.592 4.631 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1595860435 OTPLXLAWPWFIGB-PMACEKPBSA-N 427.643 4.846 30 10 IJEE C#CCN1CCC[C@H]1C(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1597036719 LGGUZYOUYMBYTH-FQEVSTJZSA-N 433.390 4.834 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)o1 1614434275 BZLIMYUSEKCNNC-HNNXBMFYSA-N 442.951 4.546 30 10 IJEE COC(=O)c1cc(C)cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 1614581188 GVAJCOPIEONCBW-UHFFFAOYSA-N 425.916 4.552 30 10 IJEE Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCc2ccc(C#N)cc2)cc1 1617464965 CEINCKPLZOKQFC-UHFFFAOYSA-N 429.545 4.570 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1618344998 PEEWSKFLABBASX-JOCHJYFZSA-N 447.000 4.808 30 10 IJEE C#CCC1(NCC(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)CCCCC1 1620612128 VSKFBQSPPHXZAP-XMMPIXPASA-N 443.591 4.740 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 1626140965 IRYRDGYFLZHJNS-QGZVFWFLSA-N 445.498 4.561 30 10 IJEE C#CC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2)C(=O)OC 1626188450 ZIBXQGOFRUVSCX-UZOYXQLSSA-N 444.918 4.670 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 1627692297 MIFOLNSJYMXRRL-KRWDZBQOSA-N 446.238 4.855 30 10 IJEE C=CCC[C@H](NC(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC)c1ccccc1 1632525343 QVMLHTAGXOXRDG-IBGZPJMESA-N 429.948 4.992 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 1633039614 DAKJCTDOUINUIH-UHFFFAOYSA-N 434.393 4.575 30 10 IJEE C#C[C@H](CC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1635862670 BRKYRALRYVLVIO-HXUWFJFHSA-N 426.582 4.543 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1)C1CCOCC1 1637127132 AXCIUTAONBMCGT-VGOFRKELSA-N 431.001 4.973 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H](O)c3ccccc3Br)c2)cc1 1639092432 DRDKWKSEIGCLHZ-OAQYLSRUSA-N 437.293 4.576 30 10 IJEE C=C[C@H](C)ONC(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1639677956 JKXFLVIYYCBTEF-KSFYIVLOSA-N 440.927 4.659 30 10 IJEE C=CCn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nc2sc(C)c(C)c2c1=O 1643465198 XPLGSCHXQPTMFK-UHFFFAOYSA-N 431.539 4.730 30 10 IJEE O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 1651891304 AIUFBVCQLKILPJ-UHFFFAOYSA-N 434.355 4.821 30 10 IJEE C#CCOCCN(C)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1654000053 BOZHQPZIBBOFON-UHFFFAOYSA-N 439.353 4.638 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN(Cc2ccccc2)[C@@H](CO)c2ccccc2)c1C 1655340734 HFHXXQWYQGLNNX-MHZLTWQESA-N 441.575 4.786 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3cccc(Br)c3)C2=O)nc2ccccc21 1656005239 WDRGLUPHCROYLD-GOSISDBHSA-N 428.355 4.882 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)CCC(=O)N3CC)cc1OC 1657145867 VEXHLKIJSGTLSB-UHFFFAOYSA-N 445.357 4.934 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCCN2C2CCCCC2)cc1OC 1657270040 POOVEBDGMAOPCA-IBGZPJMESA-N 437.422 4.909 30 10 IJEE N#Cc1cc(F)ccc1S(=O)(=O)NC1(c2ccc(Br)cc2)CCCCC1 1664416664 FZOZCMDZNMKIRS-UHFFFAOYSA-N 437.334 4.598 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1665391852 WLSWUDISTDYBIN-WOJBJXKFSA-N 447.645 4.953 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@@H]2C[C@H](OCC)C23CCCCC3)cc1 1667589569 KZFKPWSWMNMWLU-YADHBBJMSA-N 427.589 4.974 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(-c2ccccc2F)c1C)c1ccc(Br)cc1 1668166572 GUJIZZXKMSIWEJ-KRWDZBQOSA-N 427.277 4.578 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccn(-c2ccccc2C(F)(F)F)n1 1671117960 MDQRAVMTLGNUQF-UHFFFAOYSA-N 434.418 4.587 30 10 IJEE COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1671797614 HMBFUWORONPPHN-QFIPXVFZSA-N 445.567 4.763 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1 1672277987 IVTUSMDVPJFNCS-CYBMUJFWSA-N 427.448 4.648 30 10 IJEE CC(C)(C)c1ccccc1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1672985257 BRIADWZOFFBKRF-UHFFFAOYSA-N 428.540 4.600 30 10 IJEE C=CCCC[C@@H](NC(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1 1675610448 KJDLFTCABYMXFZ-LJQANCHMSA-N 440.487 4.877 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 1686919360 DXRAVMSEQOCXLS-RTWAWAEBSA-N 425.573 4.620 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cn1)c1ccc(Cl)cc1F 1686922815 QSDJDGOOWXEETP-WMZOPIPTSA-N 436.712 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](OC)[C@@H](C)CC 1690198199 GSVWCGPTMDGMQL-ITSWEJNFSA-N 430.980 4.660 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCC(F)(F)C1 1690214595 PGAJKORRXGWFPL-WZONZLPQSA-N 444.526 4.683 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC=C(C)C1 1690241571 UITRXULIDFIGLQ-MAUKXSAKSA-N 449.418 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690251358 TXLNPOXWPOCDAY-MYZZLAAOSA-N 440.535 4.546 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1690252275 BVXLJJJOHCLIFO-RBODFLQRSA-N 449.599 4.725 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)C)CC1 1690328110 FFDJNXZCEKUQGF-INIZCTEOSA-N 438.403 4.791 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2sccc2C)CC1 1690365701 DNGFJHQWYSMPBJ-UHFFFAOYSA-N 432.391 4.621 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CC(C)(C)C2)CC1 1690367342 KPXFGQDECSQHGZ-UHFFFAOYSA-N 426.561 4.564 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@@H]2OC)CC1 1690368717 IZZLQAXIJLUCSR-KXBFYZLASA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1690412345 MURUSSYAZHRGKB-NFBKMPQASA-N 429.008 4.986 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N(CC)CC)CC1 1690415446 LYQCGYORHXEPFH-NRFANRHFSA-N 425.621 4.607 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1CC(C)(C)C1 1690613653 PBTCQHARRLVUNC-UHFFFAOYSA-N 433.394 4.783 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1cnc(C)s1 1690648241 RFIVWWJUHXDKDZ-UHFFFAOYSA-N 431.993 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOC(C)(C)C 1705482504 AQXZFLQCXWIJRV-ZDUSSCGKSA-N 439.785 4.634 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705617888 LAMWMHNLYFQFSB-SZPZYZBQSA-N 439.673 4.706 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CC[C@](C)(CC)O1 1705620589 YOWDJMQQJMBALJ-BWKNWUBXSA-N 426.580 4.993 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1705689190 FEGVAXUEVMAUSV-HZPDHXFCSA-N 441.464 4.949 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCC(F)F 1705708729 GKIYFUCZEFCDHX-GCJKJVERSA-N 434.531 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC(C)CC1 1705710207 VTRUTLAGDPGYSV-CVDCTZTESA-N 442.629 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CSCCS1 1705719625 FLIDJIRUAIIPBN-SFHVURJKSA-N 439.050 4.762 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)CC(C)(C)C1 1705731520 ZVRZNOQYCMPYTA-LJQANCHMSA-N 434.588 4.800 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1705782041 NCGKHDKXZXPYLC-IEBWSBKVSA-N 449.368 4.658 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705805584 KHDVCHBKGHKWGX-OYRHEFFESA-N 431.669 4.549 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705826685 ZSXGTIJPIHXEDW-NRFANRHFSA-N 440.979 4.538 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(C)nn(C)c1C)C1CC1 1705850210 LKOXUUHSOBQSOQ-UHFFFAOYSA-N 431.371 4.805 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](SC)C(C)(C)C)C1 1705928084 BBYSPVMVZASWLB-PXNSSMCTSA-N 448.608 4.555 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cc(Cl)ccc2OC(F)F)n1 1707577610 AHOWIKSRRZKNJZ-CQSZACIVSA-N 446.889 4.690 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1OCCC1(C)C 1722405578 NJKCBGMKODHFCU-QHCPKHFHSA-N 431.584 4.627 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CCCCC1 1722420497 JZLZIBLFNCBTII-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1722469491 FQGKDOBICDVCEE-BCQCSXDESA-N 444.627 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ncc(CC)s1 1722505751 SEOCCTRSVFJSFO-GCJKJVERSA-N 429.634 4.647 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1722520016 QGEBJJWRJKVABD-GCJKJVERSA-N 440.519 4.912 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722524356 FFIJPUYNYNFMTP-NRFANRHFSA-N 439.604 4.589 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2nc3cccc(Cl)c3n2C)CC1 1722580561 DMTLTPWIEJCPRD-UHFFFAOYSA-N 426.996 4.858 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCCCN2CC)CC1 1722581373 CJTSDSLBELGJKC-QHCPKHFHSA-N 437.632 4.696 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1722610165 LPOVTDCUXFEGGU-MRXNPFEDSA-N 434.993 4.579 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@]2(CCOC2)C1 1722619561 GUKXYQUNINJBAG-DEOSSOPVSA-N 445.007 4.835 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OC(F)(F)F)C1CC1 1722650337 XUACJWDOHBUSMB-UHFFFAOYSA-N 429.446 4.750 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCO1 1722679373 YQNLVUNATGEDID-HSZRJFAPSA-N 449.599 4.561 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722682726 DWIRZFZYWZYHSL-IZBJGVDFSA-N 430.980 4.736 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCC=C(Br)C1 1722707830 ZTYJOTMWXWFLPS-UHFFFAOYSA-N 429.362 4.648 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1727245663 BXSGDZVFHCCEFR-WBVHZDCISA-N 435.403 4.722 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)CC1 1731188954 CRKDTFNGTAYKQF-INIZCTEOSA-N 434.371 4.809 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1CCC 1740535688 TZSIJCBGDNRWMM-IRFCIJBXSA-N 444.023 4.794 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1scnc1C 1740661582 FVWWELGIEVVOGD-MRXNPFEDSA-N 429.977 4.539 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1740782617 IXGCJECDXRLGCT-GOSISDBHSA-N 427.593 4.541 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](CC(C)C)N(C)C)CC1 1740837351 KAKQQURMIFZSJF-QFIPXVFZSA-N 448.615 4.979 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCO[C@H](C)C1 1740894454 UWMIDFBDVVZFPJ-ZIAGYGMSSA-N 439.785 4.798 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCCc1nnc(C)s1 1740923240 HESHHAJEFCHWCH-UHFFFAOYSA-N 430.647 4.914 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(N(CC)CC)CC1 1740968875 GZWRUGXYXCZABO-UHFFFAOYSA-N 439.648 4.790 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1748755214 GHOQFOJTCIWDSW-IBGZPJMESA-N 441.570 4.586 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1CC(C)(C)C1 1748868231 UCAWBCVSQPBDTR-HXUWFJFHSA-N 434.584 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1c(C)nn(C)c1C 1749146275 AJOBMHBMKAMJBR-UHFFFAOYSA-N 443.393 4.509 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)CCCCC)CC1 1749260821 WXMVQPMXOWOLOB-UHFFFAOYSA-N 433.959 4.502 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1749324452 VXPGENMXMXUYBH-OALUTQOASA-N 431.625 4.652 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1C[C@H](C)O[C@@H](C)C1 1749474161 XOZNMCMBDSSJJA-STQMWFEESA-N 425.396 4.595 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1Cc1cc(COC(C)(C)C)on1 1749547685 WGXATMVOKYAWKA-UHFFFAOYSA-N 439.535 4.839 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCS[C@@H](C)C1)C(C)C 1749557065 GFBIXAJPNKFJJA-GMAHTHKFSA-N 439.673 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1Cc1cccc(C(F)(F)F)n1 1749579451 QAQUCDAZVQTIAA-UHFFFAOYSA-N 427.474 4.704 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](OCC(C)C)C1 1749690534 SVCYCUWVQHYVDK-OAQYLSRUSA-N 426.605 4.731 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(Cc1cccc(F)c1)C(C)C 1760139833 QNZFHNRGFUULSB-UHFFFAOYSA-N 425.577 4.991 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCSC(F)(F)F 1760213586 IBTCRMLFOCXUFL-UHFFFAOYSA-N 434.531 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@](C)(OC)C1CC1 1760292633 GENVYNXUZATYLB-YADHBBJMSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)cc2)nnc1N1CC=C(C)CC1 1760303613 SFLMMJIDHDNSOW-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(Cl)cccc2C1 1760354391 ZBZNGPKZLVKCDY-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1760391337 ZENFSKIYQISDGR-QFIPXVFZSA-N 437.563 4.841 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760423289 VHUJNECMEQIAHJ-OAQYLSRUSA-N 437.632 4.904 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1Br 1760441932 ZTLYKQFWDBWDBL-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1nc2c(s1)CCCC2 1760469010 QRLACNNWLZJQMS-DYESRHJHSA-N 443.661 4.787 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760568908 WUMMTJALSQHRQH-QYZOEREBSA-N 449.665 4.752 30 10 IJEE CCCOc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1766295364 DHDPUFQWGBVQFF-UHFFFAOYSA-N 432.572 4.607 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 1768850836 CGWNCSCJAQDJHI-HSZRJFAPSA-N 449.605 4.526 30 10 IJEE COc1ccccc1[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C#N)CC1)OC(C)C 1770383726 HVMIUOXRGVENMH-HSZRJFAPSA-N 449.555 4.761 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C\c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 1772759625 VVJZTPJYNQUGQZ-KGXKECERSA-N 446.532 4.558 30 10 IJEE C=CCNC(=O)Nc1ncccc1OCC(=O)Nc1ccccc1Sc1ccccc1 1858788611 PRSADEUHMGDWFZ-UHFFFAOYSA-N 434.521 4.558 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(N(C)C)cc1 1861831797 ANCDVUGTBHQJFE-JOCHJYFZSA-N 435.678 4.861 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(N(C)C)cc1 1862415077 OOLRMLAQMAIYEN-OAQYLSRUSA-N 428.479 4.655 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478434 HFIPMZMJMRLLDC-FQEVSTJZSA-N 434.473 4.743 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862537872 ANLWPLUAGVDLOP-CWTRNNRKSA-N 434.319 4.515 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1OC 1862622383 ICSHAVKIMGXBFN-QFIPXVFZSA-N 437.536 4.988 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2cccs2)c1 1862736544 JSRCBTZXUVFSMV-OAQYLSRUSA-N 448.500 4.786 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1863216645 WSRMKNFAOBGVQU-JTSKRJEESA-N 429.520 4.728 30 10 IJEE CC[C@@](C)(NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866772988 WEWOQWJVBSBZMD-HFZDXXHNSA-N 435.568 4.929 30 10 IJEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871372687 FYBZCQQVYDPLII-ZDLGFXPLSA-N 425.780 4.985 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871453955 AIYXVHTWUNPXKM-OYKKKHCWSA-N 429.472 4.891 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871857012 HOLSAJYBINSRSX-NRFANRHFSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871865085 RSDFHZNHOBJMLV-SFHVURJKSA-N 445.343 4.727 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872167411 SMDGXLNFAKQSHU-NZQKXSOJSA-N 449.661 4.648 30 10 IJEE CC(C)(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)n1 1872769877 ZPVKPGDTHAWTDL-SFHVURJKSA-N 447.491 4.870 30 10 IJEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872788138 DWDUQZBLNYENEW-HNNXBMFYSA-N 428.897 4.979 30 10 IJEE COc1cccc(/C=N/Nc2cnn(C(C)(C)C)c(=O)c2Cl)c1OCc1ccccc1 1873526667 QJEAUMJOWNKXOF-DHRITJCHSA-N 440.931 4.685 30 10 IJEE CCCCCCCCCCNC(=O)CC[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O 1873936951 UGPPGRCOMYKEIU-HXUWFJFHSA-N 435.996 4.798 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1OC 1874237071 OJRDGPRYFMHSDL-CVKSISIWSA-N 447.564 4.697 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)cc1 1874292537 IVUIDCMAFDFYOO-VULFUBBASA-N 449.511 4.574 30 10 IJEE CCCOc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCCO)c1 1874343217 DXTIMOPXFPTUJI-LFVJCYFKSA-N 444.988 4.668 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc[nH]1 1874406903 VPTHZZSVHJBWHR-MFKUBSTISA-N 436.585 4.650 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)cc1 1874445835 MIDDZLZUGFFNHJ-LSCMLXDISA-N 425.533 4.509 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874477225 PSUSIXOREMZYHU-FYJGNVAPSA-N 440.485 4.612 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C(C)(C)C)cc1 1874485667 HJVRVBBWPKDJGW-ZVHZXABRSA-N 446.617 4.928 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C2CCC2)c1OCc1ccccc1Cl 1874558355 ATDFXUPLYSLOGY-FSJBWODESA-N 428.945 4.958 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1nccs1 1874613574 BJYAVRVQJNPZSU-ZHACJKMWSA-N 434.517 4.794 30 10 IJEE CN(CC1CCN(C(=O)CCc2cc(Cl)cc(Cl)c2)CC1)c1ncccc1C#N 1890111087 HCGRPNFCLLUCRQ-UHFFFAOYSA-N 431.367 4.568 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 1890933246 IDMVZINNVAPIOH-ZDUSSCGKSA-N 449.370 4.999 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@H](O)c1ccc(-c2ccc(Br)cc2)o1 1922065429 MJRMZCJYPYGLMU-FGZHOGPDSA-N 428.326 4.843 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CC2 2016351098 NTTZOONZHSQRHZ-NRFANRHFSA-N 434.541 4.750 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2020139989 UXGSEOZRTAWCET-YCRPNKLZSA-N 436.557 4.852 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(C)cc1Br 2060604035 ZHGKLIBVGNSVCY-AWEZNQCLSA-N 429.742 4.656 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c1N 2079955598 CPRCJRHZRXINDQ-GFCCVEGCSA-N 427.320 4.674 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 2159128609 UIOKDAIWVUHVDN-PMACEKPBSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)CN(c1cc(Br)cc(F)c1C#N)C2(C)C 2174807661 FHVFQSGSDHAMDQ-SWLSCSKDSA-N 438.341 4.542 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174807751 FZLXIXRVXLYTPF-YIONKMFJSA-N 438.341 4.827 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181140969 GVXJXPAIYWWRPJ-RDJZCZTQSA-N 436.350 4.733 30 10 IJEE Cc1ccc(C#C[C@H](N)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223371008 WUMSMUNHGVFUFT-RPLLCQBOSA-N 434.580 4.518 30 10 IJEE C=CCC1([C@@H](NC)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2225603187 MQVRRNNUKGNBQU-INIZCTEOSA-N 431.321 4.801 30 10 IJEE COc1ccc(C#C[C@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2237744531 MHTZJWZOCMOVOQ-IBGZPJMESA-N 432.314 4.890 30 10 IJEE C[C@@H](C1CC1)N(CCC#N)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243911542 SXXMCLURCFDTPF-IBGZPJMESA-N 445.563 4.846 30 10 IJEE Cc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1CNC(=O)OC(C)(C)C 2267506219 UVFLBNQCTHLUMB-UHFFFAOYSA-N 444.381 4.975 30 10 IJEE CC1(C)OB(c2cc(N[C@@H]3CN(Cc4ccccc4)C4(CCCC4)C3)ccc2N)OC1(C)C 2283011724 JFTRALAIDSDZJR-QFIPXVFZSA-N 447.432 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc(C(=O)C#Cc3cccc(Br)c3)c21 2296230248 RHUJVKOBRFUUJK-UHFFFAOYSA-N 426.310 4.981 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)o1 2296247567 GPMBIALFYZEGMB-HJPURHCSSA-N 429.472 4.533 30 10 IJEE COc1c(I)cc(C=C2Sc3ccccc3C2=O)cc1[N+](=O)[O-] 2297326998 FTFHGKOWBLHERV-UHFFFAOYSA-N 439.230 4.538 30 10 IJEE CC(C)COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 2297745058 SXPMDMSMFWTWLD-XMMPIXPASA-N 442.515 4.738 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 2307589212 ABPNCVRANUZPKG-VBVDBJQASA-N 433.593 4.999 30 10 IJEE COc1ccccc1C=NN=C1SC(=Cc2ccc(F)cc2)C(=O)N1Cc1ccco1 2314819101 SCRWRRZHQZYACR-UHFFFAOYSA-N 435.480 4.934 30 10 IJEE CCC[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317355184 AXPIBTMTNHUWLH-JKGDOXCYSA-N 431.386 4.832 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C(C)C)c1OCc1c(F)cccc1Cl 2321885844 JZHPNKGFRNJDJV-UHFFFAOYSA-N 434.924 4.953 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1OCC 2322211696 HVRQOLHDVJJRHR-UHFFFAOYSA-N 446.960 4.787 30 10 IJEE C=CCN(CC=C)C(=O)C1CCN(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)CC1 2322659785 KHJCJRCXWCHBDF-UHFFFAOYSA-N 444.575 4.718 30 10 IJEE CCOc1ccc(S(=O)(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 2323378512 NEPORZCAFBHWDD-UHFFFAOYSA-N 444.940 4.630 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2cccc(OC)c2)cc1OCC 2323499400 AZPDNGCHCKKXGZ-UHFFFAOYSA-N 431.916 4.548 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)o1 2323719141 PTLYXRJHBHMXLO-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)[C@H]1CCCO1 2330681485 YUAUAKHGXDWYQP-JOCHJYFZSA-N 436.504 4.563 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)COc1ccccc1 2331039537 NHBBWTRTZWJDNO-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)c1 2331382829 MMGJTVMPLBXWNE-UHFFFAOYSA-N 440.492 4.713 30 10 IJEE CCOc1c(Br)cc(C=Nn2c(SCC)nnc2C(C)(C)C)cc1OC 2331389217 GAZPOAGNABLVOI-UHFFFAOYSA-N 441.395 4.740 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)C)cc(OC)c1O 2331668629 IBFAYBRLFXPKPM-UHFFFAOYSA-N 426.542 4.607 30 10 IJEE CC#CCN(C[C@H](NCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2337903865 KPQZXXVGDGYBBE-INIZCTEOSA-N 431.321 4.638 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339540538 XFQQGDGTHIJKBA-QRVBRYPASA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCN[C@H]1C(F)(F)F 2370258127 OCQTUEGALHHCPD-PBHICJAKSA-N 448.283 4.767 30 10 IJEE COc1ccc(Br)cc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 20881894 BRZCCUXANSYOHR-MAUKXSAKSA-N 440.337 4.770 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CCc3sccc3[C@H]2C)c1=S 23854542 KRMHIHARQWMLKQ-OAHLLOKOSA-N 430.574 4.956 30 10 IJEE CCCCSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccccc1-2 32997136 RWFGAZFWVZDNBC-JOCHJYFZSA-N 431.521 4.747 30 10 IJEE C=CCc1ccc(OCCn2c(CCCCCNC(C)=O)nc3ccccc32)c(OC)c1 35146646 IQWMCESEOXVDET-UHFFFAOYSA-N 435.568 4.701 30 10 IJEE C[C@@H]1CS/C(=N\c2c(Br)cc(Br)cc2Br)N1 35286966 FZXAPZAJGBBOKW-RXMQYKEDSA-N 428.975 4.687 30 10 IJEE Cc1cc2oc(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccc(F)cc4)c3O)c(C)c2cc1C 38623987 LGIMDNWLVONQAO-UHFFFAOYSA-N 444.462 4.824 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)COc1ccccc1Cl 40844636 PVBUZCQJXJUJBH-UHFFFAOYSA-N 448.858 4.796 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1OC 41652281 BAVHDGMWNJFRLT-ROTLSHHCSA-N 443.499 4.981 30 10 IJEE O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccccc1 102904559 QDBQLIJELKVABC-GOBJLOIFSA-N 434.835 4.875 30 10 IJEE CC(C)(C)/N=C1/[C@H](N2CCOCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 105421638 QFZAVOMZERERTG-KHIYJPSVSA-N 427.536 4.777 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2Cc2cccs2)c1 169928330 QJTGIWTUUMFDTO-NRFANRHFSA-N 435.501 4.544 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2cccnc2)c1 170004888 SHGLWVYHXVDPNX-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 170058212 NEOIOMMJMBCPAW-PZJWPPBQSA-N 425.912 4.660 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)c(OC)c1 170141628 UIWVLQMWRPSHDG-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170214833 JTTYTAFQAAKTAJ-XMMPIXPASA-N 447.531 4.931 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1ccccc1 170227618 DIIZLZXFZCDNGM-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccco1 170280109 KKQMPDVXKZWQQA-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccco1 170288661 FEMUENLWDNVWGY-IBGZPJMESA-N 438.823 4.933 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(C)o2)c1 170297787 WHGCOSJBLDBXQP-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE C=C(Br)COc1c(Br)cc(C[C@@H](N)CC)cc1Br 234053004 LDYUNPAJXYPOQI-JTQLQIEISA-N 441.989 4.779 30 10 IJEE COc1ccc(C#N)c(Nc2ccc(Br)c(I)c2)c1 311518862 DKIRWGDNVKFHRJ-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE C=CCn1c(SCC(=O)[C@H]2Cc3ccccc32)nnc1-c1ccc(Br)cc1 475968261 RRNXQBFHBWVJHD-SFHVURJKSA-N 440.366 4.895 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 485944457 XGHIPHNBAARSPC-WOJBJXKFSA-N 432.442 4.555 30 10 IJEE COc1cc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc(OC)c1O 526806165 WSZWWELIAMLZSM-CFRMEGHHSA-N 440.569 4.781 30 10 IJEE CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)Cc1cccc(C#N)c1 530675318 XHWHHBLTKNTPDE-UHFFFAOYSA-N 437.849 4.649 30 10 IJEE COc1ccc([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3Cc3ccccc3)C2)cc1 549500754 PKELGMIOXKADMP-DEOSSOPVSA-N 435.531 4.868 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)c1 552929946 GMUUTCOLPBAMEW-MRXNPFEDSA-N 434.883 4.894 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 558982964 KPAQSFJOZBAKJS-HXUWFJFHSA-N 448.596 4.762 30 10 IJEE C=CCN1C(=O)N(c2ncc(Cc3cccc(Cl)c3)s2)C(=O)[C@@H]1Cc1ccccc1 561029782 GNUMCJLIVKILBI-FQEVSTJZSA-N 437.952 4.953 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2)c1 698442931 NYLXERVPIUJZSL-HSZRJFAPSA-N 431.533 4.730 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)SC1=Nc1ccc(Br)cc1 725387463 RXHBBJQFCHLESP-QGZVFWFLSA-N 446.370 4.738 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1cc(Cl)ccc1OCC#N)O[C@H](C)C2 735349036 FCPIUHHEYPDANA-HEFCMCLBSA-N 441.911 4.811 30 10 IJEE C=CC[C@@H](c1ccncc1)N1C(=O)[C@@H](c2ccc(Br)cc2)N(C(C)C)C1=O 761271497 ZMJOJAWYOOHIDE-RBUKOAKNSA-N 428.330 4.875 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 764545961 CFNCTSSAJVNCFK-ZBFHGGJFSA-N 427.998 4.745 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 777300982 BLOYVMOHNPIDCW-FQEVSTJZSA-N 434.927 4.920 30 10 IJEE C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H](c2ccco2)C1 785107142 QFXMZBTUHXQYPD-YSZBQJHXSA-N 427.504 4.873 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 800784651 PWQDPGFRKZXQCH-UHFFFAOYSA-N 431.968 4.526 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1ccco1 812179561 VDPIPXMEIDVYLY-RBUKOAKNSA-N 441.576 4.903 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCCC(C)C)c1 1124959155 WAEJNIXBCYNQBC-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C=CCOCCCC(=O)Oc1ccccc1C(=O)OCc1ccc(Br)cc1 1125769677 GQRMGHWUJBTVQJ-UHFFFAOYSA-N 433.298 4.694 30 10 IJEE N#Cc1cc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cs1 1125991987 IAXHAXLWQDMXQT-QFIPXVFZSA-N 436.581 4.949 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)cc1 1129224784 JVJYGDHSLVECGW-UHFFFAOYSA-N 449.293 4.705 30 10 IJEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)c1 1129225814 DOSIMJPKWJYFET-GJZGRUSLSA-N 445.610 4.587 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1)C(C)(C)C 1133977313 QONIPFICQNJPRX-UHFFFAOYSA-N 448.592 4.604 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1136809771 DDXUMIUXIZSIBH-UHFFFAOYSA-N 435.907 4.870 30 10 IJEE COc1cc(CN(C)Cc2ncc(C)c(OC)c2C)ccc1OCc1cccc(C#N)c1 1170603877 GWKMSOSZQARTLW-UHFFFAOYSA-N 431.536 4.798 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC 1182272942 YGSYFJZOUORTSW-AWEZNQCLSA-N 449.345 4.860 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 1189488640 GMQQBRUAWXYGHC-FQEVSTJZSA-N 441.553 4.570 30 10 IJEE COC(=O)c1cc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)cc1Br 1204962374 BIOVDUDOYHNVEH-ZDUSSCGKSA-N 430.302 4.641 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC)c(OCCN(CC)CC)c1)c1ccc(Cl)cc1 1215082953 VMGIYVGRDKQWNY-FQEVSTJZSA-N 429.948 4.565 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)c(F)c1 1220602930 FEIJNBJNLNVSEL-FGZHOGPDSA-N 449.929 4.608 30 10 IJEE C=CCC1(NC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)CCCC1 1221933220 TYNCQEZWXIRHDA-QHCPKHFHSA-N 440.609 4.984 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1229989872 OJDGUMUGDUEWFV-GOTSBHOMSA-N 441.616 4.852 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1OC 1264248953 LVAJUMVNPPYOAV-CLFYSBASSA-N 426.494 4.539 30 10 IJEE Cc1c(C#N)c(NC(=O)c2nn(C(C)(C)C)cc2Br)n(-c2ccccc2)c1C 1264507326 AEGIFAQDYNBPFE-UHFFFAOYSA-N 440.345 4.932 30 10 IJEE CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1277201898 CATODHLPPIWUPS-LLVKDONJSA-N 444.347 4.783 30 10 IJEE C=CCn1c(SCC(=O)NC(CC)(C2CC2)C2CC2)nnc1-c1ccc(Cl)cc1 1279319641 KUDHNOFZVFRHCQ-UHFFFAOYSA-N 431.005 4.962 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCC[C@@H](C)C1 1286272233 AKNXSQPKWYDYAP-RTBURBONSA-N 445.558 4.517 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1CC1CCN(Cc2cccs2)CC1 1286445821 BAZPPJLYECXROY-UHFFFAOYSA-N 447.652 4.611 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1Cc2ccc(Br)cc2C1 1286505957 CMJDBLFJHKIQPF-UHFFFAOYSA-N 431.403 4.585 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1286538985 VCRRTLXASCKLBL-UHFFFAOYSA-N 432.322 4.531 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1 1286540398 ANHJBYBFYHZIAU-UHFFFAOYSA-N 439.373 4.820 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCc2nccc(C(F)(F)F)n2)CC1 1286655172 ORMMUMUMPSSSNK-UHFFFAOYSA-N 446.452 4.538 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1286718580 OPKWJIFAGMPNEI-VGOFRKELSA-N 446.437 4.840 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)c1ccsc1)C1CC1 1286732376 RDJYUZDNPPEBSO-HJPURHCSSA-N 442.560 4.681 30 10 IJEE C=CCN(c1nnc(-c2cnccn2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1)C1CC1 1286733503 BEAUKZRVPCSPFH-GOSISDBHSA-N 432.425 4.511 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1Cc1nnc(C(C)(C)C)s1 1286763464 JYANGUVSSBUFAS-UHFFFAOYSA-N 448.596 4.971 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCC(C)(C)C2)C1 1286806010 YIBBLGYKGNJFAR-IBGZPJMESA-N 444.023 4.502 30 10 IJEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 1289030597 GHPPKQHSHJLBAP-GOSISDBHSA-N 429.515 4.648 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1292934326 VXGVYNWIXCGNIH-BBRMVZONSA-N 434.886 4.789 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1CSC 1300352552 MOXQJYKXYWTGFU-INIZCTEOSA-N 433.419 4.843 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCc2cccnc21 1300641145 CJKCHQYBFDYZEN-NRFANRHFSA-N 431.559 4.870 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1301236913 KONNKMFURFNGQL-DXBBTUNJSA-N 430.637 4.806 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CC2(CCOCC2)C1 1301309205 PPKWPQLBWSUTNX-UHFFFAOYSA-N 438.616 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(F)cc1 1301372111 INFYERMXEHEKNI-UHFFFAOYSA-N 444.352 4.606 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(-c2ccccc2)nc1C 1303607829 MDSZJZPENWTYDZ-SFHVURJKSA-N 429.586 4.984 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)c1ccccc1 1304738088 RNYXCNOZMIEECX-SSEXGKCCSA-N 440.594 4.524 30 10 IJEE CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1CCc1ccc(Br)cc1 1305405832 GXUJQASVMGJJHW-INIZCTEOSA-N 430.394 4.927 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)Cc1cc(Br)ccc1F)c1ccc(Cl)cc1F 1312322596 YDYMPDWOXBYNAP-BBATYDOGSA-N 441.703 4.985 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CC[C@H](C)C2)ccc1OC(C)C 1315291506 HKRFTHJYBBPBOP-OTWHNJEPSA-N 425.577 4.773 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CC2)C1)C(C)(C)C 1316397495 FAPQOVGVEWYKIS-FQEVSTJZSA-N 439.629 4.887 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(COc2ccc(F)cc2)o1 1351080728 QWQSBOVNVIZZNX-UHFFFAOYSA-N 440.423 4.741 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1358907328 LBLBCHKXTFOZHP-DYVFJYSZSA-N 444.860 4.697 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc2c(n1)CCCC2 1359000906 HBIWYWVOFBXFKN-NRFANRHFSA-N 443.595 4.817 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cccs1 1359003800 YAPSHUAIYLWXHG-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccsc1Br 1359007132 WLQIXOCKLRNYNQ-UHFFFAOYSA-N 440.370 4.758 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](c1ccco1)N(C)C 1359014053 VPAKPRSEUZSUCJ-JOCHJYFZSA-N 449.599 4.510 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(CC(C)C)C1 1359015389 RWGNCCLPXDHSBQ-JOCHJYFZSA-N 439.623 4.723 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C)s1 1359019779 GPABYJSQSXDXJI-UHFFFAOYSA-N 440.638 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCC1CCN(CC(F)(F)F)CC1 1359071471 QPXVTJACIDNOQY-JOCHJYFZSA-N 439.570 4.523 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](CC)C1 1359093851 UAKFKUALQXWQGS-HQRMLTQVSA-N 445.405 4.925 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)[C@H](C)C1CCC1 1359120898 JYZHSGNIUPZNFQ-GOSISDBHSA-N 434.588 4.656 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[C@H]2C)CC1 1359174745 NQAOQUXSYIJDDS-WBVHZDCISA-N 432.410 4.885 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1359196327 CTTRGOXQXKXZJX-AQYVVDRMSA-N 439.579 4.955 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1359199856 KDKDOAFAPJHMLP-UHFFFAOYSA-N 437.979 4.826 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCCN(C(C)C)CC1 1359200432 FNSRZUHKWLCSRX-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C(C)C 1359222448 JAROQTGEXFCZOW-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1359247160 UJQYDESMSIPNLX-OKZBNKHCSA-N 430.980 4.899 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1359272984 KHCSQGCOSNPEQV-VWNXMTODSA-N 426.992 4.906 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H](O)C1 1359276229 WFPOCRZNXBQFFB-JTHBVZDNSA-N 436.625 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)c1nccs1 1359277694 SQKOEBNKNBHTRB-IEBWSBKVSA-N 427.574 4.608 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 1448919354 GXIUWQHYYZLPJO-DNVJHFABSA-N 442.600 4.786 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC(C)=O)C(C)C 1450240997 WLDXKXGCNCHCRL-VWLOTQADSA-N 448.563 4.686 30 10 IJEE C=CCn1c(SCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1cccc(OC)c1 1458983420 WMMTZXLOVSJXGL-QGZVFWFLSA-N 444.601 4.879 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 1459933214 YRMIIIYOFFCLDT-WIJYMUHASA-N 438.955 4.616 30 10 IJEE C=CCCN(C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(OCC)cc1)CC[C@H](C)C2 1459959328 PJFXKQUAQZYWLR-KRWDZBQOSA-N 440.609 4.949 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 1466163471 REMGOPQZFZDCCO-QHCPKHFHSA-N 432.545 4.599 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1467613641 KOINFCKMLUMLCA-NHCUHLMSSA-N 428.001 4.698 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1467935599 WKTPJXVLTIHMRA-IBGZPJMESA-N 428.891 4.881 30 10 IJEE C=C(C)[C@@H](NC(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1469856099 HXTIHEKQWSMTKX-HXUWFJFHSA-N 437.531 4.871 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2ccc(OC)c(C#N)c2)c2ccc(OC)cc2OC)cc1 1476996771 GFGXEPMEEJXRIN-DEOSSOPVSA-N 447.491 4.504 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 1478046290 FEESCOYABHRIBW-XMMPIXPASA-N 432.907 4.681 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 1478062511 VJDSVOUVZKYQCO-PGRDOPGGSA-N 448.535 4.598 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1(CCOC)CCCCC1 1498882283 FKRHAHGLIAEGRW-UHFFFAOYSA-N 433.600 4.993 30 10 IJEE CS[C@@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1505162937 AZMNCCGWJFWOHY-RYUDHWBXSA-N 442.814 4.851 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)c(OC)c1 1507522072 TVIATOLYFUYXJQ-SJLPKXTDSA-N 434.609 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507526091 KUIUKEHMTGBMRV-QFBILLFUSA-N 445.995 4.606 30 10 IJEE C#CCCCCn1c(N2C[C@H](CCN3CCCC3=O)c3ccccc32)nnc1C(C)(C)C 1507575096 SIPCWWKSSILZHT-FQEVSTJZSA-N 433.600 4.627 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCCCC2)C1 1507757149 PMIMXWACAVECMF-UHFFFAOYSA-N 428.577 4.523 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C)Cc2ccccc2C1 1507811638 CNDHUBKKNHJHIO-SANMLTNESA-N 438.616 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1cccc(Cl)c1 1507818839 XQIBEZYTNBLDLL-JOCHJYFZSA-N 446.382 4.957 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2ccnn2)CC1 1507913111 XAUWADSUESECEH-UHFFFAOYSA-N 439.995 4.709 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1507942845 TZZHDSGQTANODB-DEOSSOPVSA-N 447.631 4.601 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CC)s1 1508009485 ZSXHFYQNCXTIQQ-GOSISDBHSA-N 426.561 4.786 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@]2(CC=CCC2)C1 1508060563 ABEWNDIYFOBPEP-CJFMBICVSA-N 441.620 4.905 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](C)(CC)C1 1508074367 RVWMOAQKGBEXHQ-JOCHJYFZSA-N 444.004 4.742 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)C[C@H](C)c2nccs2)cc1 1508100426 JXMMTBSCZQOEFX-SFHVURJKSA-N 448.596 4.593 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCC2CCOCC2)c2ccccc2n1 1510603615 BUQIODPWWLUCGV-SFHVURJKSA-N 432.572 4.604 30 10 IJEE CCO[C@@H](CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H](C)C#N)C(C)C 1516105688 HIFQSDSLENIYHZ-MBSDFSHPSA-N 434.588 4.849 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2sc(-c3c(C)noc3C)nc2C)cc1 1517880101 TXALNPPHKOYCHC-UHFFFAOYSA-N 425.510 4.985 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1 1522663583 BIUJJSBGKIIJHE-UHFFFAOYSA-N 441.409 4.925 30 10 IJEE C=CCN(C(=O)/C(=C\c1ccccc1)C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1522961746 YPGCZXZEGJLTAD-UZLGTAQGSA-N 431.454 4.821 30 10 IJEE C=CC[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 1523114279 GTPMCVKVGBLDDL-GOSISDBHSA-N 433.430 4.622 30 10 IJEE COc1cccc(Oc2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)nc2)c1 1523316869 HHTAEMYVUMQERM-UHFFFAOYSA-N 439.475 4.809 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)[C@@H](OC)c2ccc(OC)cc2)s1 1527126579 FPCAYXGPBDNCSU-AUUYWEPGSA-N 441.018 4.740 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1529764620 PRIYVMHQOLQKQG-UHFFFAOYSA-N 446.459 4.664 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1C#N 1533753134 AWASOWNUTGQSSX-UHFFFAOYSA-N 447.392 4.726 30 10 IJEE Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(Br)c(C#N)c1 1534574957 ABOUVZRARLHMQY-UHFFFAOYSA-N 448.324 4.705 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCC(=O)NCc1cc(C#N)ccc1F)CC1CCCCC1 1534982107 APSAICGZCVELRO-HXUWFJFHSA-N 431.552 4.957 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3[S@@](=O)C(F)(F)F)c2)s1 1538704926 DNRUKYCZBOINHN-GDLZYMKVSA-N 434.464 4.844 30 10 IJEE C=C(C)[C@H](NC(=O)c1ncc(Br)cc1Br)c1ccc(F)c(F)c1 1538997406 SEPHIWPUKBINCX-AWEZNQCLSA-N 446.089 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCN(C2CC2)CC1 1539035238 NQGSXGKFKFIHQS-KRWDZBQOSA-N 444.048 4.556 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCCC1(C)C 1539305829 QRFIMUYPZFOGOR-HSZRJFAPSA-N 445.394 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1OCC[C@H]1C 1539569201 KYBXIJJNVOWHER-YIFZBPKDSA-N 449.382 4.581 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC1CC1 1539616014 MZKYHNVHXCMAEE-JLMWRMLUSA-N 428.552 4.775 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1539786123 JEXTVRYQMPOTLF-UHFFFAOYSA-N 441.334 4.612 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2Br)CC1 1539885167 XJLNCCCAMIVGDF-UHFFFAOYSA-N 438.373 4.862 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1539959718 POYBDLMOBZZPQX-NRFANRHFSA-N 431.588 4.505 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1539991130 FUCIJIRJZGPPDV-GOSISDBHSA-N 429.977 4.908 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1540006187 AIFBBYFXCZOKJM-ILBGXUMGSA-N 431.584 4.834 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1540129673 WWIXTMQWXGBTJO-LADGPHEKSA-N 433.600 4.912 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1540172415 ZXQNNJWRIFFYIM-PMACEKPBSA-N 428.024 4.821 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1540854696 YFPWLJBGOMJJDY-AWEZNQCLSA-N 448.752 4.533 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)c2nccs2)C1 1540886230 YLEHYLMPXKMQIB-CRAIPNDOSA-N 429.977 4.640 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2nc(C)c(C)s2)C1 1540886830 KBNLRFYHNXDJHC-IBGZPJMESA-N 444.004 4.696 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCc1cccnc1 1542053113 DFTXUZOSUDWISP-KRWDZBQOSA-N 443.580 4.753 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C(=O)N(CCC)CCC)cc3)n[nH]2)c1C 1544499352 JPOLDJLADQCLKN-UHFFFAOYSA-N 448.571 4.591 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1554357845 HYNZXJDPMLEPDC-RDPSFJRHSA-N 441.023 4.849 30 10 IJEE COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N(C)[C@H](C)CC#N)N2CCCC2)c1 1554991499 CZYKUEDDTBMRHL-XXBNENTESA-N 436.604 4.520 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCCCc1ccc(I)cc1 1556796903 JRDJMXHQIWSTFH-SFHVURJKSA-N 439.337 4.530 30 10 IJEE C=CCn1c(SCc2ccc(Cl)cc2OC)nnc1[C@H]1COc2ccccc2O1 1559333281 LPZGQNMINILHST-LJQANCHMSA-N 429.929 4.931 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1cccc(OC)c1 1559381416 RHZNRNOTSDTNFD-WOCWXWTJSA-N 428.602 4.561 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 1561247707 RCBRYXSBDJEHLC-HXUWFJFHSA-N 436.980 4.541 30 10 IJEE C#CCN(C(=O)NCC1(COC)CCCCC1)[C@H]1CCOc2ccc(Br)cc21 1564853574 XDMOGPKIQCZHLJ-IBGZPJMESA-N 449.389 4.514 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)NCc3ccc(COc4cccc(F)c4)cc3)on2)c1 1585980359 HHIGTTYMQKQXOS-UHFFFAOYSA-N 427.435 4.861 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCc1nccs1 1588198174 JJKXTTRNQOJDKC-UHFFFAOYSA-N 431.609 4.795 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCC1=CCCCC1 1588445362 LIJNYTRAQUDZNU-UHFFFAOYSA-N 443.389 4.970 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@]2(CCSC2)C1 1589721976 KAPCOPIECNLPDE-LJQANCHMSA-N 437.382 4.756 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCCCOC)CC1 1594064467 NSVLLWOIHVGJEE-UHFFFAOYSA-N 425.396 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1594504445 RWGWRVKXPJTBOW-FQEVSTJZSA-N 439.623 4.921 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CC1 1594535379 UGHYHFHIEUOBCK-CTYIDZIISA-N 431.319 4.873 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21)C(C)C 1595165223 CVYSRYYZHQGGAZ-TZRRMPRUSA-N 430.600 4.504 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)s2)C1 1595674101 MOMLGRCGYMYHLI-PXNSSMCTSA-N 442.560 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ncccc2C)C1 1595700860 SNZLMLBTSZYGCY-QGZVFWFLSA-N 444.366 4.785 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)OC 1596795309 YDZGFKROQLHNDF-MRXNPFEDSA-N 434.901 4.637 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCOc3c(Cl)cccc32)n(-c2ccc(F)cc2)c1C 1615833499 DGXBNNFUBYSGKP-UHFFFAOYSA-N 438.890 4.596 30 10 IJEE CC(C)[C@H]1CCc2nc(NC(=O)COc3cccc(Br)c3C#N)sc2C1 1616744561 FFKXHZGBHBKNMZ-LBPRGKRZSA-N 434.359 4.556 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1623171773 MOYDDKWFEBYBPE-UHFFFAOYSA-N 431.439 4.646 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 1623172150 ZYMJSNIKHWQMCN-MRXNPFEDSA-N 426.488 4.688 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 1625150491 PKDKFMGNAUZLPG-LJQANCHMSA-N 435.528 4.584 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 1625538318 GVQHKAOHFIJEMK-SFHVURJKSA-N 448.361 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1631509845 UYENLDFEMGEHOL-UHFFFAOYSA-N 437.565 4.741 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 1636892254 QDALCVVUFZRXFN-TWGBQZSLSA-N 449.636 4.615 30 10 IJEE C=CCOc1ccc(CNC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1 1640361946 CZYSTRFYJOEMJD-UHFFFAOYSA-N 440.341 4.746 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)CCCN1C(=O)OC(C)(C)C 1641470501 UKIXPSACXWBNIY-QHCPKHFHSA-N 428.529 4.706 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](c3ccccc3)C[C@H]2C)n(-c2cccc(F)c2)c1C 1644613921 HFBDNUGHKHQERB-UTKZUKDTSA-N 430.527 4.921 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@@H](C)C(=O)Nc1cccc(C#N)c1 1645023503 FWOVUKFZUGWBKN-JTSKRJEESA-N 444.501 4.895 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCCC[C@H]2CC)nc2sc3c(c2c1=O)CCCC3 1652458740 QEWMSFDHQXWUPG-HZPDHXFCSA-N 445.654 4.795 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(C(=O)OC(C)(C)C)c1 1652545322 NOBHSLCUKGXODM-UHFFFAOYSA-N 442.629 4.740 30 10 IJEE C#CCN(Cc1cc(OC)c(O)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1657514973 ZVADNKWGOKNHRS-KRWDZBQOSA-N 436.733 4.776 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 1662577094 IXZRRHNDDPSQSQ-GOSISDBHSA-N 436.325 4.577 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OCC)c(Br)c1 1665746584 VCZXPKHJQFWSMR-HXUWFJFHSA-N 448.382 4.549 30 10 IJEE CCc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)N(C)C)cc1 1667191067 FWECNGHWCAXSIN-QHCPKHFHSA-N 429.524 4.732 30 10 IJEE CCN(CC)[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1ccc(C(F)(F)F)cc1 1667541704 FUMYOVORMQDZJE-HXUWFJFHSA-N 436.453 4.598 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 1670921384 NREXLTVGXMBEFW-UHFFFAOYSA-N 444.944 4.999 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 1674150113 URAYGKLVCXCGHQ-QRWLVFNGSA-N 434.462 4.871 30 10 IJEE C=CCCC[C@H](NC(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1 1675610447 KJDLFTCABYMXFZ-IBGZPJMESA-N 440.487 4.877 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc2cc(Br)ccc2o1)C(C)C 1675964641 SAICAFSIYMRUFN-IBGZPJMESA-N 434.378 4.693 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)c1ccccc1 1683734052 ORSAVHOTOYZQRZ-VWLOTQADSA-N 448.611 4.667 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1(CC)CCOCC1 1690055579 XPEUQWGHMYPWRY-UHFFFAOYSA-N 436.625 4.549 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@@](=O)C(C)(C)C 1690060682 FJSLOEUCCWTIFP-GDLZYMKVSA-N 449.045 4.820 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1 1690251657 XONXHPDRSOYPOM-AVRDEDQJSA-N 429.996 4.677 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1cc(Cl)c(OCC)c(OC)c1 1690261525 PRYUPKKEOOEANN-UHFFFAOYSA-N 443.979 4.795 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(N(C)C)CCOCC1 1690517174 ZCUVAEJBUSKSFV-UHFFFAOYSA-N 446.020 4.546 30 10 IJEE C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)c1nccs1 1692732480 HRGUSSHREBUPQF-NWFVXXGESA-N 442.633 4.587 30 10 IJEE CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)Oc1cccc(F)c1 1694394885 GAFMEPWWASTSHF-DVECYGJZSA-N 427.568 4.993 30 10 IJEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1705520059 GUFWDXDTVUZPET-NRFANRHFSA-N 447.608 4.723 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)CCCC 1705670840 KWGHCTMBOFQEBN-JOCHJYFZSA-N 434.415 4.976 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccccc1 1705683237 YQSBBZMJUKQYBW-UHFFFAOYSA-N 432.753 4.929 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2ccc(OCC)cc2C1 1705700919 AGEVOVHGMOPDMV-HYBUGGRVSA-N 438.616 4.809 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1csc(CC)n1 1705711451 LYSLDVDMIAWFEY-UHFFFAOYSA-N 435.395 4.505 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1705721902 IAYJWGVKHRCWRQ-UHFFFAOYSA-N 436.629 4.910 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCN(C)C(C)C)CC1 1705766145 OPPIMHHSWGGSKE-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CC(C)C)C1)c1ccccc1 1705797921 GPSJJKMKZSLPSL-FYYLOGMGSA-N 435.616 4.633 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@]1(C)OCCc2sccc21 1705799495 YIJHFQFTJKOADW-WZONZLPQSA-N 430.618 4.514 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cccs2)CC1 1705800621 DJVSYZMNCWNPIS-UHFFFAOYSA-N 443.020 4.734 30 10 IJEE C=CCCCn1c([C@H](C)OCCOC)nnc1N1CCSc2c([nH]c3ccccc23)C1 1705812081 QSTLVDUNXJWENN-KRWDZBQOSA-N 441.601 4.562 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705813930 XLFMTCPQYLHHLE-UHFFFAOYSA-N 448.880 4.936 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccc(F)c1 1705836410 SBELSWAXAOYLFT-UHFFFAOYSA-N 432.341 4.775 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1OCCC1(C)C)C1CC1 1705851173 WZJKCWZBOZXUHX-SFHVURJKSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccsc1 1705861373 DAXGWSWVWPLRRZ-VWLOTQADSA-N 445.592 4.810 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1ncccc1N(C)C 1705878562 SZPGNWQIKHOJSP-UHFFFAOYSA-N 432.616 4.611 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705887398 DQSNOUYLQYDAKO-SFHVURJKSA-N 439.604 4.874 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1705947444 LDRZTSZACADEGS-QFIPXVFZSA-N 435.597 4.533 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1706743792 FLZIIDOMGNPGKT-NBOOPKSLSA-N 428.378 4.882 30 10 IJEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)CCO1 1709551133 AMFXAUITFSVAGL-RPWUZVMVSA-N 444.583 4.657 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cccc(F)c1 1722404930 HAVKPPZYGCSTSM-KRWDZBQOSA-N 438.572 4.809 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCC(F)(F)F 1722496964 PKZSSHFLZXYHJK-PBHICJAKSA-N 428.886 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@@H]1C 1722497728 ZWLUYJDTHOFOSV-LJCCNALRSA-N 445.405 4.924 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCCCCC[C@@H]21 1722546065 FMQDLDPNFSKUFB-ZBFHGGJFSA-N 438.801 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCC2CCOCC2)CC1 1722562645 HAFJJIFLJBNIIZ-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(F)(F)Br)CC1 1722568250 FCHFAKPHHSSNEG-UHFFFAOYSA-N 441.320 4.618 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC[C@H](C)N2CCCCC2)CC1 1722569497 BYDYOHPXFRCEAP-QFIPXVFZSA-N 437.632 4.840 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)CC1 1722569509 CPWXZSWRTYJMRE-UHFFFAOYSA-N 441.988 4.832 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 1722598043 YXGYSXTWPFFBGZ-NFBKMPQASA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722599629 DMNDVIVTRGULGD-UHFFFAOYSA-N 425.577 4.524 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)C 1722655031 BXEHYCZPRBPNHU-UHFFFAOYSA-N 439.361 4.756 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CC1([S@@](C)=O)CCC1 1722659110 QFVGOUGXWMCNNT-SSEXGKCCSA-N 426.630 4.505 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1722737490 ISCVEFWCTQKMHA-INIZCTEOSA-N 441.551 4.970 30 10 IJEE C[C@H]1CCC[C@@](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)(N(C)C)C1 1726518114 GRFLIOCQTFHCDM-MHECFPHRSA-N 441.023 4.849 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CC(C)C)C2CCCC2)C1 1728118771 DXWXZXVZMOJMAH-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)CCC1 1730648337 BJWOVEFCQMFQLT-UXHICEINSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Sc1ccccc1 1740563897 XOTPMTWNUSKMRZ-UYWIDEMCSA-N 426.630 4.835 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740568359 VUORTLQJOVKEQF-RCZSKKKRSA-N 426.536 4.509 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1740569957 SXMGZHZGIMOQJP-HNNXBMFYSA-N 448.518 4.936 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1740572302 HOTOSKVGZZJQDY-FCHUYYIVSA-N 431.584 4.937 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC1CCC(F)(F)CC1 1740734762 NIOAKHSZFPMBSK-JOCHJYFZSA-N 432.490 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ncccc1N(C)C 1740770383 QEZPPCQBQHGSHZ-UHFFFAOYSA-N 440.979 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC1CCCC1 1740773672 AQLYJLAMGUKLPB-QFIPXVFZSA-N 426.561 4.542 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(Cc2ccsc2)CC1 1740778563 KWRGKABQPBRDHO-UHFFFAOYSA-N 445.539 4.506 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)c2cccs2)CC1 1740820354 ABXOAJGCTODFSU-QFIPXVFZSA-N 444.988 4.733 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)no1 1740919575 KTASVLBNOMLLNP-FGZHOGPDSA-N 435.572 4.734 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@]1(C)CCCS1 1740920387 MGSKMQDFXHUNOK-XMMPIXPASA-N 437.588 4.881 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(CCCC)CCOC 1740944506 MXFBZCOOEJTNJB-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCC[C@H]1C 1742046501 BFURLMOYYNMNEZ-ZWKOTPCHSA-N 449.628 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1749126608 FDCZIAYTCWAIPH-UCFCWBNQSA-N 438.616 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCCC[C@H](SC)C1 1749136442 NIXWSBFEUBHTRO-GPXNEJASSA-N 440.657 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1749146280 AYHWTCLSAPETPT-UHFFFAOYSA-N 441.583 4.571 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1749334775 MNVCTXINVSIQDX-QGZVFWFLSA-N 428.886 4.968 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1749367036 PGFXYERIDWAEJH-NRFANRHFSA-N 445.558 4.727 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(Br)n1 1749384290 YDRCUXRWBLUEKL-SFHVURJKSA-N 448.409 4.908 30 10 IJEE C=CCCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749407956 BFPCRKRBBKZRJC-LJQANCHMSA-N 438.494 4.543 30 10 IJEE C=CCCCCn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1749407987 CJQMDCMKLHYZGY-UHFFFAOYSA-N 449.643 4.988 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1749512130 TXZHOQRQUQUFMX-IRXDYDNUSA-N 445.405 4.986 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(NC(=O)c2ccco2)cc1)C1CC1 1749518929 BEMPLXOTXVGEEF-UHFFFAOYSA-N 433.556 4.915 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OC 1749549222 SHMMVQGPROMQIG-UHFFFAOYSA-N 442.548 4.523 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1749585268 ZLEHWABIOCMDMS-PKTZIBPZSA-N 444.627 4.696 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCn1cccn1 1749746517 GIWJJGNPZROWPB-UHFFFAOYSA-N 437.400 4.504 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CCCN3CCCCC3)cc2C1 1752081320 FGVVMTJNKAOLSQ-RBUKOAKNSA-N 440.661 4.746 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCc1ncc(CC)s1 1760239978 CRCCBRJHYYEMCA-QGZVFWFLSA-N 425.577 4.832 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1760391495 FMHSAOWUBIXKBV-GJZUVCINSA-N 437.632 4.567 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c(CC)nn(C)c2CC)CC1 1760392487 RPIFHSMASMSPDE-UHFFFAOYSA-N 448.615 4.537 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)cc2F)CC1 1760403418 RJKXNWROQVMIOC-UHFFFAOYSA-N 431.968 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1760410318 AGELDUXYQBIHBL-JOCHJYFZSA-N 443.599 4.612 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)c1c(C)noc1C 1760504559 UDIULBKOJNTDDT-CQSZACIVSA-N 447.942 4.785 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccc(Cl)nc2)C1 1760536077 BYIMCAGZNQBGCZ-RTWAWAEBSA-N 437.975 4.698 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC2(C)C)C1 1760539228 ZITXGJXETWGFIV-ABSDTBQOSA-N 430.980 4.899 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCC(F)(F)C2)C1 1760549812 NELJQBGAVRCLAH-UXHICEINSA-N 446.542 4.691 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(C)C)CC1 1760565911 HJSQZRMUYZIXOK-OAQYLSRUSA-N 428.602 4.582 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCOCC2)on1 1764070640 BDSOEDONENOBMN-UHFFFAOYSA-N 448.571 4.619 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)s1 1764602329 BINASTWMZSBKDL-SIXWZSSISA-N 436.585 4.834 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(CC)CC)C1 1768378006 CIASWOBPARQXTA-JOCHJYFZSA-N 440.661 4.661 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1772523122 HMEBGMLNIBSURP-UMTXDNHDSA-N 449.643 4.704 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1[N+](=O)[O-])CC2=NOC(=O)c1ccccc1 1772722412 FJKSVISJZLHKJG-RPWUZVMVSA-N 435.480 4.963 30 10 IJEE COc1ccc(/C=C2/SC(=NN=Cc3ccccc3O)N(Cc3ccco3)C2=O)cc1 1772756836 DXMWZBJOGLDEOZ-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE Cc1ccc(NC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)c(Br)c1 1860726307 MPCOSCDHCPWCJW-QPJJXVBHSA-N 441.094 4.880 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(C)c1 1862380056 RWTOMMCPLIXUQF-IBGZPJMESA-N 434.319 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1C 1862401210 WATUCVVBYZLTGY-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862498703 ODZCEJGITBEGON-DJJJIMSYSA-N 434.319 4.569 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862501359 BBBCNDNQCNTGDE-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862535327 YMQWUTJEWFDCOH-XMMPIXPASA-N 442.515 4.821 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591862 PSKOAALXYDTQJP-FQEVSTJZSA-N 439.920 4.928 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862656816 ODPVKYYYNFVHKF-FQEVSTJZSA-N 437.879 4.806 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862684099 YRPZWUZVLZZPJH-SFHVURJKSA-N 438.282 4.747 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OCC)c(OCC)c1 1862684478 XSIJKPAYPCTVAL-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 1862686754 AUINOXFXOQMNFO-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862701890 PITLTGVZKLKAAJ-JOCHJYFZSA-N 449.503 4.695 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862724902 WSYZUCTZKBHQBT-CJAUYULYSA-N 441.527 4.875 30 10 IJEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)C2CC2)c1 1866731263 UZLSTSJWUZMNHN-CLJLJLNGSA-N 437.543 4.808 30 10 IJEE CCCCOC(=O)c1ccccc1NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868171809 UENYEUXXMCRPLM-FQEVSTJZSA-N 425.554 4.620 30 10 IJEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2c(F)cccc2Cl)cc1 1870106518 PLWDYCFIRXIUSB-FMIVXFBMSA-N 437.906 4.940 30 10 IJEE C=CCOc1cn(CCCCCCCCCC)c(CN2CCC3(CC2)OCCO3)cc1=O 1870386084 ZDZHBPYSWKAYFF-UHFFFAOYSA-N 446.632 4.893 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(N(C)C)cc2)cc1=O 1870808991 KBLQLCQUSMLAAO-UHFFFAOYSA-N 442.563 4.815 30 10 IJEE N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1871284777 ONEXRIDZAYFMMN-UHFFFAOYSA-N 429.501 4.604 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871348618 JKAXOJPIZPBVFC-MTJSOVHGSA-N 444.934 4.897 30 10 IJEE Cc1c(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cccc1[N+](=O)[O-] 1871372497 VLJRFZIGAVEUMG-NHDPSOOVSA-N 446.371 4.647 30 10 IJEE CCn1cc(/C=C2\Oc3cc(O[C@@H](C)C(=O)OCCOC)cc(C)c3C2=O)c2ccccc21 1871438045 LNZJKTUCTOIHBC-ICODJCHTSA-N 449.503 4.543 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871776023 JXKAZSAYVHZDFD-XXBNENTESA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1872007390 SDLQSGLXPPNOSL-LJQANCHMSA-N 428.598 4.805 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872130682 DXCNXYBKNYOOMK-JOCHJYFZSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872247277 OSGJUZOHXATOJV-UWJYYQICSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CCCC 1872583515 GMQGWOFAVPAJQQ-JOCHJYFZSA-N 437.650 4.566 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C)cc1 1872604699 AVIWBOLSCCQKCD-HSZRJFAPSA-N 448.604 4.500 30 10 IJEE CCCCc1ccc(-c2csc([C@H](C#N)C(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1 1872762499 OQIHJUOSTUIZEX-HXUWFJFHSA-N 443.528 4.625 30 10 IJEE CC(C)C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872766585 LWZHRFZOWMCALV-TZIWHRDSSA-N 443.528 4.697 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872780412 HQQSDJXMNYFOAK-MRXNPFEDSA-N 442.924 4.908 30 10 IJEE C=CCN(CC=C)c1nc(Nc2cc(C)c(C)cc2Br)c2cnn(C)c2n1 1873490579 INCBYWURMACFOW-UHFFFAOYSA-N 427.350 4.665 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccccc1F 1874220144 WRPHBHCBCGXSIP-MFKUBSTISA-N 440.544 4.988 30 10 IJEE COc1cc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)cc(OC)c1O 1874233415 HSCSUIYSEQUKQP-MFKUBSTISA-N 448.548 4.543 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874266610 FTMTZNWWIQJXIS-SSDVNMTOSA-N 443.916 4.969 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccccc2C(=O)O)CC1 1874286417 FLXGUODKPKLMOU-LFVJCYFKSA-N 444.601 4.797 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(O)c2)c(C)c1 1874457934 OOLLUDVQSSLKKM-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE CCCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874462280 PZKBUODYYQISHI-ZMOGYAJESA-N 434.443 4.900 30 10 IJEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc2c(c1)OCCO2 1874464469 LHLLJBSQAHTUDZ-ZVHZXABRSA-N 432.505 4.792 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C(C)(C)C)cc(OC)c1OC 1874484349 REWDZAAJOOYKTJ-ZVHZXABRSA-N 440.569 4.776 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CC2)cc1OC 1874517922 QWYHGKPOUKDLFH-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)OCC(C)C 1874570322 VXUIRUUOPMFDFD-BQYQJAHWSA-N 447.871 4.731 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)CCc1ccccc1 1875148526 GUVSBRKSQALRQW-YRNVUSSQSA-N 444.483 4.901 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1F 1877008297 CZFSREHRGGZSKV-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(N4CCCCC4)cc3)ccc21 1890564566 ABSUYZWEODBFPA-UHFFFAOYSA-N 433.552 4.867 30 10 IJEE C=C([C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922996194 LGZQLDFNYDVMMZ-SJORKVTESA-N 427.459 4.646 30 10 IJEE N#Cc1ccc(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1951421731 VFLLSBARMOYDHA-FQEVSTJZSA-N 440.499 4.730 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1)c1cccc(Br)c1 2072717449 ILPRVLWBBMTRRK-IBGZPJMESA-N 438.277 4.821 30 10 IJEE CCc1ccc([C@@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)cc1 2079035437 DRPKGWVIKHVAKF-MBTVCVBTSA-N 425.314 4.802 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2079192066 PBOGHJLNZBPOHH-KEZOAJOQSA-N 444.616 4.542 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CN)c1Br 2079853511 FCWGHTNOZDLWNE-ZCFIWIBFSA-N 434.153 4.890 30 10 IJEE O=c1cc(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2c(Br)c(C(F)(F)F)nn12 2080948574 IVPINHFHHQPNMA-UHFFFAOYSA-N 444.104 4.629 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083815220 CEIGOGJVXSBKKV-NVQXNPDNSA-N 444.616 4.552 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(C#N)c(Br)c3F)C(C)(C)[C@@H]2C1 2174808790 RUYBQQUYRNKSDA-ZIAGYGMSSA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](COc2cc(Br)cnc2C#N)C1 2198820123 MZRQYJIVFUDJNQ-AWEZNQCLSA-N 436.350 4.522 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3cc(Br)c(C#N)cc3F)C[C@@H]2C1 2206331048 VZHKIKLUSDEYGN-VHDGCEQUSA-N 438.341 4.589 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2235716130 DQGSWASQMHRQBL-PKOBYXMFSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)C1 2235728456 RDFFIMSLSOXSRB-NBCNXNJRSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235733815 VCNDNXNCGLNMEX-GCJKJVERSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2235749831 OHTJWXDWUOTEDZ-QQTQMKHKSA-N 435.406 4.670 30 10 IJEE CC(C)(C)C#CC=CC[C@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2256737232 KLGGIMKULIWNES-QHCPKHFHSA-N 439.644 4.869 30 10 IJEE C=CCCC1([C@H](O)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266234979 XGNOUUSLKIRXIH-MRXNPFEDSA-N 432.305 4.964 30 10 IJEE C=CC[C@@]1(COc2ncc(Br)c(C)n2)CCCN(C(=O)OC(C)(C)C)C1 2272147682 FGISLSXXSMTXEN-LJQANCHMSA-N 426.355 4.520 30 10 IJEE C=CCCC1([C@@H](NC)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2281458646 RBDSBYLZEKQAST-SFHVURJKSA-N 439.394 4.922 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 2296136023 NQRSFWNHGCQANF-GYCJOSAFSA-N 443.474 4.771 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@H](N)C#Cc1cccc(Br)c1 2296225827 ZFBMDNNIISNNQP-MOPGFXCFSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2296302468 JJJGCTZURTWHDF-ZWDAVXSWSA-N 435.406 4.672 30 10 IJEE COc1cccc([C@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)c1 2296597352 NGSKNEKJAZTDRV-QHCPKHFHSA-N 444.487 4.504 30 10 IJEE C#CCOc1c(Cl)cc(C=C2SC(=O)N(c3ccccc3OC)C2=O)cc1OC 2297361373 BQYDFPOOMRSWQY-UHFFFAOYSA-N 429.881 4.610 30 10 IJEE CCS[C@H](C)C[C@@H]1CC(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)[C@@H]1C(=O)OC 2297624151 KGOWJVJUFBNYEV-SEDUGSJDSA-N 444.380 4.768 30 10 IJEE C[C@@H](Oc1ccc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)cc1)C(=O)O 2314928981 FQKCEDSMPWOGDW-SNVBAGLBSA-N 437.304 4.737 30 10 IJEE CC(C)[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317355884 YFQBTMBKBUORLV-GOSISDBHSA-N 432.370 4.654 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)C1 2321164847 QHRKULJJXWJWFS-MHECFPHRSA-N 445.560 4.655 30 10 IJEE Cc1c(OC(=O)C2CCC2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2322825045 ARJMWQRFZDKOOA-UHFFFAOYSA-N 426.852 4.837 30 10 IJEE COC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1Br 2324697083 QSJFVCSJUPYLLX-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c1 2324807296 FDTRLYOVMGAKJP-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc1[N+](=O)[O-] 2326433202 AVVZUQPJMVIPHR-UHFFFAOYSA-N 425.514 4.685 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2cccc(Cl)c2Cl)o1 2326838754 DNPHVNXEWMNQQT-UHFFFAOYSA-N 439.324 4.838 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccc2O)cc1 2329277904 VDVSVGGDIPADEN-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(O)c2)cc1 2331044438 JBSHKGGVBCVOKU-UHFFFAOYSA-N 449.580 4.817 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)c1OC 2331396297 JLKPHEJEQBSQRK-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C(F)(F)F)c(OC)c1 2331876366 QOIYGDQCKLVAJG-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342483887 YABOORWXPUHAGL-QHCPKHFHSA-N 448.344 4.871 30 10 IJEE Cc1cnc(NCc2sc(Cl)cc2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2343920382 WVJVKCGOBUCDGF-UHFFFAOYSA-N 443.603 4.779 30 10 IJEE Cc1cccc2c1N(C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)CCN2C(=O)OC(C)(C)C 2352853778 ZBGPFPPCFIMEFQ-IAGOWNOFSA-N 442.365 4.565 30 10 IJEE C=CCC1(C(=O)c2cc(Br)cc(OC3CC3)c2)CN(C(=O)OC(C)(C)C)C1 2362610643 HCTZQFWTRHRWED-UHFFFAOYSA-N 436.346 4.986 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(N)C#Cc1ccc(Br)cc1 2380876487 WPWJTAAUJLBQMC-DVRVPYBTSA-N 433.390 4.602 30 10 IJEE Cc1c(/N=C\c2c(O)ccc3cc(Br)ccc23)c(=O)n(-c2ccccc2)n1C 1507178 LCINCOZXSVEFDR-CFRMEGHHSA-N 436.309 4.856 30 10 IJEE C=CCOc1ccccc1NC(=O)COc1ccc(Br)cc1Br 9815244 CQPNIHZIMIMWIE-UHFFFAOYSA-N 441.119 4.794 30 10 IJEE C=C(C)CN1C(=O)[C@H](C)Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21 12229371 WMKCSKHEZFRZDP-ZDUSSCGKSA-N 435.307 4.701 30 10 IJEE C/C(=N\NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C2CCCCC2)cc1 12569871 SMAWKJTVSBCGDY-HYARGMPZSA-N 435.933 4.998 30 10 IJEE CCOC(=O)c1ccc(N/C(=N\S(=O)(=O)c2ccc(C)cc2)c2ccc(F)cc2)cc1 16740639 LLTUVGNSGOWABI-UHFFFAOYSA-N 440.496 4.558 30 10 IJEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccccc2Cl)n[nH]1)c1ccc(F)cc1 21082047 GAOJGHLAJCWSFI-WYMPLXKRSA-N 432.912 4.554 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)CC1 21761790 CWLJPYWDTWAIEV-FAGJFJLWSA-N 431.993 4.547 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2cc(OC)ccc2OC)C1=O 33730961 IOJASGTWNFTCIB-LDADJPATSA-N 445.924 4.901 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4)c3C)C2=O)c(OC)c1OC 41251047 LKRWJXHKUFNVLA-STZFKDTASA-N 446.455 4.856 30 10 IJEE COC(=O)c1cccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2cccnc2)c1 46127974 KKOIQTOMBMKGHY-UHFFFAOYSA-N 444.535 4.564 30 10 IJEE COc1cc(/C=C/C(=O)NC2(c3cccc(Br)c3)CCC2)ccc1OCC#N 72012316 JUHJWPQYWXWDEP-VQHVLOKHSA-N 441.325 4.569 30 10 IJEE CCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(C)C2=O)cc1OCC 110718212 LQSADNXXWIOMAW-ZSICUCBDSA-N 440.521 4.504 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169921935 UZQHFYUGKWGGQM-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)c1OCc1cccc(Cl)c1 169936654 GVGMUHSSRGSKFI-FQEVSTJZSA-N 430.957 4.652 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)c(C)c1 169983250 XHYNNYBEDAPULT-OAQYLSRUSA-N 449.484 4.577 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)c1 170102042 FVBYONQLJGKDTC-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(C)o2)c1 170103140 CXHQRMNFJADTMV-OAQYLSRUSA-N 443.459 4.646 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2sccc2C)ccc1F 170107716 SGPDDWUUDQQIDC-LJQANCHMSA-N 431.529 4.897 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(C)c1 170140290 VVGVITIRNJCOHJ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccn1)c1c[nH]c2ccccc12 170176807 YBAHOJVBOFHBCZ-NRFANRHFSA-N 431.398 4.624 30 10 IJEE CC[C@@H](C)OC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)c1 170181257 GYWQMXNKFPEORK-OAHLLOKOSA-N 447.560 4.790 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 170190819 YYDODJMNVFGPMS-HSZRJFAPSA-N 439.471 4.525 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1C(C)(C)C 170207966 IYQSXKDQWBDBKY-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)c1 170275337 QMCCDULZVSECGM-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccco2)cc1 170279425 SFKYECJJDQLSAJ-QHCPKHFHSA-N 446.503 4.917 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303266 NVNYIVJXLVYBSP-NRFANRHFSA-N 435.863 4.959 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170473523 XWIPBRQBJVGLMQ-QFIPXVFZSA-N 447.443 4.578 30 10 IJEE CC1(C)OB(c2ccc(OCCSc3cccc(Br)c3)cc2)OC1(C)C 394390603 ZXQBFAMWFXSILV-UHFFFAOYSA-N 435.192 4.919 30 10 IJEE N#Cc1ccc(CNc2ccc(I)cc2Br)cc1F 404150990 RYHWQZQDQBMZHM-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C=CCN(C[C@H](Cc1cc(Br)ccc1F)NCCC)C(=O)OC(C)(C)C 406713760 QIUPOFPJLLBGJD-KRWDZBQOSA-N 429.374 4.922 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)Cc1nc([C@H](C)OC)no1)c1ccc(C(F)(F)F)cc1 441537274 SUUJHMUBIRMJEW-XJKSGUPXSA-N 426.439 4.645 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1noc(-c2ccccc2C)n1 471213039 OMYVXTYLJGZGMJ-UHFFFAOYSA-N 437.500 4.833 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 475550083 NNCYHZFVMQPANF-NRFANRHFSA-N 449.595 4.991 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1cc(F)ccc1C 481367960 DGUICVVIUYXGDP-KRWDZBQOSA-N 440.544 4.918 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)o2)cc1 505971000 MIUKJUNNHPRFCJ-GOSISDBHSA-N 429.398 4.683 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)NCc3cc(-c4ccccc4)no3)s2)cc1 510234597 CHSOOUYQDZJUJW-UHFFFAOYSA-N 448.533 4.679 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 521079733 LSGMCDGJCTWXCU-AWEZNQCLSA-N 448.317 4.825 30 10 IJEE Cc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(Br)ccc1O 526815926 XQWZYNMYQYRLFF-UKWGHVSLSA-N 437.750 4.883 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OCC)c1O 526823569 XWNPAKWBHSZIPZ-MYYYXRDXSA-N 435.553 4.771 30 10 IJEE COc1cccc([C@@H](CNC(=O)Cc2cccc(C#N)c2)c2c[nH]c3ccccc23)c1OC 531149356 QAIKUSUSUAGEIG-HSZRJFAPSA-N 439.515 4.548 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CN2CCCC2)CC1 549298564 YACIDSLVYBFSEM-UHFFFAOYSA-N 425.646 4.767 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](c2ccc(Cl)cc2)C1 555243170 JVUNDEFBTGSKHL-KRWDZBQOSA-N 446.942 4.817 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 698373661 LXCHLJRTXQXGFN-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE C=C(COC(C)C)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705409940 PTJPBAAZXCPJMB-PMVMPFDFSA-N 434.621 4.834 30 10 IJEE C=CCC1([C@@H](Cc2cc(F)cc(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 722914734 UUVZZPQWTPTBAU-QGZVFWFLSA-N 427.358 4.532 30 10 IJEE C=CCC1([C@H](O)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 722962777 VDLOBHLAMDPBRH-MRXNPFEDSA-N 430.770 4.819 30 10 IJEE C=CCOc1ccccc1CN(CC(=O)NC1CCN(C2CC2)CC1)c1ccc(C)c(C)c1 729469493 GGDXDLBMYDMCRA-UHFFFAOYSA-N 447.623 4.618 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 731399824 GEQCWCYMZJMITR-DLBZAZTESA-N 432.590 4.849 30 10 IJEE COc1ccc(OCc2nc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)cs2)cc1 731564498 HHCPUXXUILFMLS-WAPJZHGLSA-N 436.411 4.746 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC3(CCCCC3)C2)c1=S 742165234 FQGPSYVWAPFZFE-FQEVSTJZSA-N 426.586 4.726 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)OCc3cc(C#N)ccc3Br)o2)cc1 755531430 RNXLVNWKQHNOJF-UHFFFAOYSA-N 441.281 4.660 30 10 IJEE CC(=O)N1C/C(=C/c2nc3ccc(Br)cc3s2)C(=O)c2ccccc2C1 773144037 UMOUTOIYMRLTSI-ZSOIEALJSA-N 427.323 4.687 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NC(C)(C)C)cc1 917614066 RNTOBOGNNMLUFM-UHFFFAOYSA-O 440.633 4.932 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 1084169859 MMKDZGDZNGTJIG-ZOKROOOJSA-N 446.458 4.665 30 10 IJEE C#CCOc1ccc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 1124464095 MJTCFYRDDGZTMO-UHFFFAOYSA-N 427.529 4.885 30 10 IJEE N#Cc1ccc(CSCC(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1 1127763384 FKTDAEVWCOPVRD-UHFFFAOYSA-N 435.774 4.792 30 10 IJEE C#CCOc1ccc(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 1129126938 NLRVKULYBNRCRS-UHFFFAOYSA-N 444.318 4.695 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)cc1 1129378944 DZCHQTUVJGPVDF-RBBKRZOGSA-N 443.385 4.930 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1135408661 CUBKRSIEUURITR-VWLOTQADSA-N 430.548 4.991 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Oc1ccc(NC(=O)c2cccs2)cc1 1135677984 FOKWJAFFUKMHRK-UHFFFAOYSA-N 445.500 4.970 30 10 IJEE C=CCOc1ccc(C(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1OC 1137284897 CPJYUBORBRSDLT-QGZVFWFLSA-N 440.540 4.776 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)C(C)C 1138583143 XQJMAAHPQOBCMK-BJKOFHAPSA-N 431.536 4.524 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](COc1ccccc1)c1ccccc1 1144832931 IEPGGNFUSFZWKZ-XMMPIXPASA-N 427.504 4.604 30 10 IJEE C/C(=C/c1ccc(F)cc1)C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1147951791 DUPCRPIQQQSKTJ-DVESRUBUSA-N 435.339 4.814 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCCC(C)C)nc2sc3c(c2c1=O)CCCCC3 1164444500 ZLNDWBBEOVPPGK-OAHLLOKOSA-N 433.643 4.556 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c1C 1167553673 HGIGTALEUQXQIY-NDEPHWFRSA-N 444.623 4.538 30 10 IJEE COc1cc(C#N)ccc1CN(Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 1169853380 FFNHJICADWPJFV-FQEVSTJZSA-N 429.358 4.819 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2c(F)ccc(Br)c2C1 1194746413 UKWWZDKDDDLUQF-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE COc1ccc(Br)cc1CN(C)C(=O)Nc1cc(C#N)ccc1OC(C)C 1214911655 DBSDGPJPSMFBBG-UHFFFAOYSA-N 432.318 4.780 30 10 IJEE C[C@H]1CN(c2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cn2)C[C@H](C)O1 1217246734 FAOOMCLDRVOWTE-IRXDYDNUSA-N 447.564 4.617 30 10 IJEE C=CCc1cc(CNC(=O)N(CC)Cc2ccccc2Br)cc(OC)c1OC 1221552292 LOQLMFJZNYDDSD-UHFFFAOYSA-N 447.373 4.927 30 10 IJEE C#C[C@H](NC(=O)N(CCOC)Cc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1F 1230509683 AVRUDTPBPWOTAR-IBGZPJMESA-N 427.278 4.804 30 10 IJEE C[C@](Cc1cccc(Br)c1)(NC(=O)NCC1(CC#N)CC1)c1ccccc1 1248024794 BLXWFKZXXHGROM-OAQYLSRUSA-N 426.358 4.900 30 10 IJEE N#Cc1ccc(CN(C(=O)c2cc(Br)ccc2Br)C2CC2)cc1 1266572278 BRRBJUOJBGPTON-UHFFFAOYSA-N 434.131 4.888 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CC[C@H](C)N(C)Cc1ccccc1 1286517370 ULMOXFBRVTYEFX-RXFWQSSRSA-N 431.584 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(Br)cc2)nnc1C(C)(C)C 1286566527 NGKLAZXVQJEBCC-HKUYNNGSSA-N 447.421 4.956 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C)C1 1286604246 HHWFWRFHNLGHIV-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(SC)CC2)CC1 1286638633 HTAPIEWJGVWZPF-UHFFFAOYSA-N 437.382 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(COC)CC1 1286667769 MOCRENNOIAGLHG-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1286724173 INAUPCOTZSUNDX-BGYRXZFFSA-N 430.040 4.903 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286744626 KETNOYCEDHSKGV-BGYRXZFFSA-N 427.612 4.929 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCCN1CCCC[C@@H]1C 1286747265 GOJPSOSYADPBFG-FQEVSTJZSA-N 436.629 4.859 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCCCCC[C@H]21 1286782634 AMWNXBWONQQXHE-HNAYVOBHSA-N 448.398 4.713 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286835308 UHUKCZKIMUQKMM-QGZVFWFLSA-N 440.535 4.863 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@H](F)C1 1286962695 FNSQSGHGWFVTCQ-MCIONIFRSA-N 438.320 4.581 30 10 IJEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1300357878 AKDYEMXYCCPSDD-QGZVFWFLSA-N 445.489 4.778 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCn2cc(C(F)(F)F)nc2C1)c1ccccc1 1301004202 VLIVCKZAUYTCQX-OAHLLOKOSA-N 430.478 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1301148786 SASYKYJAILAOLY-UHFFFAOYSA-N 426.590 4.885 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)[C@H](C)CC)C1CC1 1301317361 QQPCQHUWLWDMKN-UKRRQHHQSA-N 439.423 4.985 30 10 IJEE C=CCOc1ccc(CC(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 1304065649 FNSYNEVIHRKWAF-HXUWFJFHSA-N 436.552 4.839 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@@H]1CC(C)(C)CO1)c1ccc2c(c1)OCCO2 1348530260 MFYNHRWLIWSXEW-OAQYLSRUSA-N 437.536 4.761 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1350849314 ZRKZYRJMDQRNSQ-AREMUKBSSA-N 448.519 4.637 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1351046780 JTRDOJDLXQSVJR-OAQYLSRUSA-N 439.581 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 1354122223 ZWNKDGZLISZNGH-UNMCSNQZSA-N 431.001 4.694 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)C1(CNC(=O)OCc2ccccc2)CCCC1 1358078488 YZLZRLSQENPBTE-UHFFFAOYSA-N 431.536 4.560 30 10 IJEE CCCc1ccc(N2C[C@@H](C(=O)N(Cc3ccco3)c3ccccc3C#N)CC2=O)cc1 1358171299 BXFHNBMHFIQXSH-NRFANRHFSA-N 427.504 4.690 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC[C@@H](COC)C1 1358906471 ITCPCGGQXAHYGF-GOSISDBHSA-N 432.515 4.603 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(C)oc2ccccc12 1358998995 ZEZINPGIPGBFGA-ZJSXRUAMSA-N 444.579 4.763 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359051723 IJLLAWRENICCNP-IRLDBZIGSA-N 438.641 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1Cc1ccc(C)s1 1359074843 SOTPXKQQJMCFKJ-HSZRJFAPSA-N 438.622 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C)C1 1359096037 WBAQEFCGDXNVCE-RFWXGWTQSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccccc1F 1359098364 AJHQBMCDPSSCBQ-GCJKJVERSA-N 430.568 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359108809 DOQJVJVWNAUWDF-KDURUIRLSA-N 446.039 4.889 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cc(C)nn2C)CC1 1359173337 CUROVNMCEHRDGL-KRWDZBQOSA-N 440.979 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc3ccccc3[nH]2)nnc1[C@]1(OCC)CCOC1 1359192120 WVARAJSNNFVTJP-VWLOTQADSA-N 437.588 4.650 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1occc1C 1359196791 SYLNYSLOCDTBOX-UHFFFAOYSA-N 432.528 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@@H]1C 1359262011 DNDDBBZWPMALMO-KBPBESRZSA-N 432.391 4.946 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C 1359264907 SHSNBTCNKUNSPF-NJDAHSKKSA-N 443.661 4.875 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CC1(COC)CCC1 1359268033 AYDNTPFUEUGTJO-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359278670 CBIPBFFDGBRWQI-WKCHPHFGSA-N 449.599 4.644 30 10 IJEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1359933108 CEFROENMHVUIFI-IBGZPJMESA-N 434.613 4.808 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)c1 1439499960 IEHCHLVTQAWVCH-UHFFFAOYSA-N 435.867 4.984 30 10 IJEE N#Cc1cc(CNC(=O)c2ccccc2SCc2ccc(Br)cc2)ccn1 1448860110 ARWYRNVEHHELLE-UHFFFAOYSA-N 438.350 4.938 30 10 IJEE C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC 1456128053 XLYYRKJRKDBSMR-FCHUYYIVSA-N 430.589 4.786 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)C1 1461136155 VKVZPHODZODYCI-CQSZACIVSA-N 441.314 4.670 30 10 IJEE COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3cnc(OC)c(C#N)c3)C2)n1 1467268097 HAECURBXZPHDGU-HNNXBMFYSA-N 449.536 4.505 30 10 IJEE C=CCC1(CNC(=O)N[C@H](CC)c2ccccc2OCC(=O)N2CCCC2)CCCC1 1468078784 MKAZOKQDQAYIFM-OAQYLSRUSA-N 427.589 4.575 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc2c(c1)CCCN2C 1468320100 MFQHTFAMGZAPED-UHFFFAOYSA-N 446.364 4.868 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 1469490910 GQSPHDMVKNEPGK-RHSMWYFYSA-N 437.428 4.991 30 10 IJEE C#C[C@H](NC(=O)N1CCc2sc(Br)cc2C1)c1ccc(Cl)cc1F 1470665169 CACXKLDGUJBUNK-AWEZNQCLSA-N 427.726 4.745 30 10 IJEE C#CCN1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1 1471938429 MNHBHQIADPLEPN-UHFFFAOYSA-N 436.474 4.823 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 1472729025 HBPIOXHLUPWUGR-ZWKOTPCHSA-N 437.588 4.614 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1476463255 HHLIBVZSBUTUSE-QGZVFWFLSA-N 449.532 4.679 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N1CCCC1 1500040323 IDDBFRIPAZNSKE-DENIHFKCSA-N 432.572 4.872 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@]1(C)CCCS1 1507766829 ZATKCNXBMAFPTC-RTWAWAEBSA-N 445.430 4.985 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H]1C 1507793483 AOKSCEWEJKNNPV-QXOCSCLMSA-N 445.405 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(F)cn1 1507817472 JCVLMXMIYKVUPM-UHFFFAOYSA-N 430.325 4.692 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507827415 OFRTWVFQRJZEME-INIZCTEOSA-N 448.398 4.571 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1507887629 RFBTZLXHOHJFJU-UHFFFAOYSA-N 435.572 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1507914293 JXNXADMQZHIMJT-UHFFFAOYSA-N 427.568 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC(C)(C#N)CC1 1507920713 YJTHSLWAWZILHP-UHFFFAOYSA-N 437.588 4.988 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1507949215 ZABHMKOAGWSDNS-VQTJNVASSA-N 434.943 4.856 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCc1ccccc1F 1507986953 KCJHUMAZLTWGNY-FQEVSTJZSA-N 443.567 4.744 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)[C@H]2C[C@@H](OCC)C23CCC3)nnc1C(C)(C)C 1508108750 LGUIUVOYQZZMCX-FCHUYYIVSA-N 438.616 4.973 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)C1 1508151558 DHILXCNGLWQYFX-LJQANCHMSA-N 430.618 4.569 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C)c1cccnc1 1508850420 FTVLGUNFDWFTAT-YDHSSHFGSA-N 446.624 4.982 30 10 IJEE CCC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1)OC 1514322603 AJSTUJXUSVQYBD-PZJWPPBQSA-N 425.577 4.590 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)(C)C 1519835673 AFDSOAPFTNBCNR-FCEWJHQRSA-N 429.659 4.925 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(F)c(Br)c1F 1529893110 STKAXEIEUSRPTH-CYBMUJFWSA-N 446.292 4.643 30 10 IJEE CO[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)c1ccccc1Br 1530580679 HKQOXXRKSRYHDZ-FQEVSTJZSA-N 438.281 4.834 30 10 IJEE Cc1cc(Br)oc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1532370824 BLGNOSVACHRYSY-UHFFFAOYSA-N 427.302 4.958 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(C)c(C(=O)c3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1536178943 DVQSROXOZZBOOI-MHZLTWQESA-N 446.547 4.958 30 10 IJEE COc1ccc2c(c1)C=C(C(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)CO2 1536486978 BFXPONRCJZUVFU-UHFFFAOYSA-N 428.444 4.782 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccccc1 1537448473 VALOSSUJPWQVMJ-PMERELPUSA-N 434.546 4.849 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)CCCC1(C)C 1538657134 IHPMLTXDEVOQJV-QHCPKHFHSA-N 448.567 4.704 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)cc1 1538703982 GPOHQXXRIWLEDP-RDGATRHJSA-N 435.545 4.504 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H](C(F)F)C1 1539109206 KVVORBSGLQFXCU-GOSISDBHSA-N 432.515 4.637 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCC[C@@H](C)C1 1539651310 DDSIBSXHFUXFDL-GOSISDBHSA-N 433.547 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(c2ccccc2C)CC1 1539676109 IVNOKLNBENSNHK-UHFFFAOYSA-N 449.624 4.712 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1539967559 IXMJCLOCXRWVSW-HXUWFJFHSA-N 441.576 4.707 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(C)(F)F 1540153894 MGVKQCHOXJBRND-UHFFFAOYSA-N 441.320 4.940 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 1544296884 HJCPOVGBMANINX-ZDUSSCGKSA-N 433.733 4.589 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1556995027 WCCLULPDHVSIMR-QHCPKHFHSA-N 434.580 4.826 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4ccc(Cl)c(Cl)c4C3)n[nH]2)c1C 1557399650 DWHLWRDZNFIAPI-UHFFFAOYSA-N 430.339 4.581 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)c1ccc(F)c(F)c1 1561486688 DGDQUNKTPRQHSR-INIZCTEOSA-N 436.705 4.976 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CCN2CCCCC2)cc1)c1ccc(Br)cc1 1562239631 FUQHBPKFPOGIMC-JOCHJYFZSA-N 440.385 4.974 30 10 IJEE CC[C@H](C)Sc1ccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)c1 1562290153 FBAYQZMGJSTLIZ-FCEWJHQRSA-N 432.590 4.766 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl 1562566344 IKHXZMHRHZBPLB-ZBFHGGJFSA-N 428.842 4.708 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 1564063228 OAWHHUCHRVPYSB-LJQANCHMSA-N 448.350 4.871 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 1584393759 FICOLGGWUYLPOX-NVXWUHKLSA-N 447.432 4.528 30 10 IJEE N#Cc1cccc(OCC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1 1584418623 HVCCQOLJDPPITF-AREMUKBSSA-N 445.950 4.524 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)c1 1585977591 KZCCMALQGUYNSV-UHFFFAOYSA-N 438.574 4.781 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1C#N 1586785972 ATBUHTGYJREHSD-HNNXBMFYSA-N 426.973 4.605 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1587788152 XNKTVJNXLOVWND-JOCHJYFZSA-N 442.991 4.709 30 10 IJEE C=C(C)[C@H](CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)OCC 1587854974 MRZMZRGFVQBCHE-FCEUIQTBSA-N 448.579 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1ncc(C)s1 1587932535 VKEGGNGUTOOXDG-HNNXBMFYSA-N 425.627 4.914 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccoc1 1589568803 MRRJMSOFCVFBLS-XUZZJYLKSA-N 436.556 4.685 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](CC)C1 1589578054 FJJKIMJRVIDLBZ-YDHSSHFGSA-N 442.629 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCC[C@H]1C 1589599596 IWUXSCGJVBWCDS-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=C(C)COCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(CC)cc1 1593769467 NUNWAWCDTUGOST-IBGZPJMESA-N 428.487 4.620 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1593914137 BZVQQMMWTUMMDM-UHFFFAOYSA-N 444.023 4.619 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H](C)c1ccccc1 1595013848 MALOHLZQEABJFB-SESVDKBCSA-N 439.604 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(C)c(OC)c1 1595148930 CPLWTDIAXQVEKK-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(Br)c1C 1595169871 ZQHVCJMPBXZRKV-SFHVURJKSA-N 439.394 4.666 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H]1CCO[C@@H](C)C1 1595184830 DEZQYOIOCGNVCM-VQTJNVASSA-N 432.572 4.719 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCC1 1595228474 DIUXIUSHMAIIAX-UXHICEINSA-N 427.593 4.885 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 1596737358 YYQMXNCLZYKUBB-HXUWFJFHSA-N 436.886 4.840 30 10 IJEE COc1cc(F)c(Br)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 1597933264 CGUAHEZLAOZOLX-UHFFFAOYSA-N 445.244 4.893 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)OC)C1(C)C 1616539833 HVLASOJIJHWYTM-NHCUHLMSSA-N 439.604 4.662 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1 1621404341 GHNLUIRWWDWPEI-IBGZPJMESA-N 449.599 4.570 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1621725746 XUXSPFSBMMGQIL-UHFFFAOYSA-N 448.304 4.887 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 1621968185 ZLSHVZGTRKVTAH-MRXNPFEDSA-N 425.381 4.669 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1624414526 FAUTZHFSEOHKDJ-VWLOTQADSA-N 440.609 4.933 30 10 IJEE C#CCN(C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCCc2ccccc21 1626710833 OJZIIHOABBZBSD-RUZDIDTESA-N 430.548 4.575 30 10 IJEE CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1628894921 FVTNRTIQWIMNPF-NRFANRHFSA-N 446.378 4.807 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1632362539 FRPJTOBOAUXWQG-FQEVSTJZSA-N 434.989 4.734 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1633352057 QOFOHSIFBXVTJO-ZLNRFVROSA-N 439.600 4.820 30 10 IJEE C=CCC[C@H](NC(=O)CNC(=O)CCc1ccc(C)cc1)c1ccc(C(F)(F)F)cc1 1636926065 KCPOHJHHRATUPM-NRFANRHFSA-N 432.486 4.886 30 10 IJEE C=CC1(CC(=O)N2CCC(Cc3cccc(F)c3F)CC2)CN(C(=O)OC(C)(C)C)C1 1637862397 LJVWBIAIIFUGOF-UHFFFAOYSA-N 434.527 4.559 30 10 IJEE C[C@H](NCC(=O)N[C@H](C)Cc1c(F)cccc1F)c1ccc(-c2cccc(C#N)c2)cc1 1642684924 HZTZJZQLRDJMNN-MSOLQXFVSA-N 433.502 4.901 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N[C@H](C)Cc3cccc(Br)c3)c2c1 1651453478 HGPWFSSTHAWLAU-CYBMUJFWSA-N 426.314 4.929 30 10 IJEE C=CCC[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(C(F)(F)F)cc1 1653910962 LHBMSGQRJCGGTB-RTBURBONSA-N 428.495 4.938 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-n3cncn3)cc2)cc1OCC 1656777127 YVRYJTSRKHAPDB-UHFFFAOYSA-N 429.318 4.605 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1)c1ccc(Br)cc1 1658444301 NBUICKFFVFXQRF-FCEWJHQRSA-N 442.357 4.559 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCO[C@@H](c3ccc(OC)c(OC)c3)C2)cc1OC 1660233050 YLOCDYHIEFGPHU-JOCHJYFZSA-N 433.932 4.504 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OCCC(C)C)cc1)c1ccc(Br)cc1 1663547686 BNIHNCVMHFHROP-HXUWFJFHSA-N 436.371 4.527 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Br)cc2OCC)cc(OC)c1OC 1667804552 RVWCWVNNLWBMTJ-UHFFFAOYSA-N 449.345 4.915 30 10 IJEE C=CCCCCNC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1668053081 GLKVXSNDBBEEGF-HXUWFJFHSA-N 445.560 4.721 30 10 IJEE CC[C@@H](C)Oc1cc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)ccn1 1669880931 HRKBKUKIOHXJSB-QGZVFWFLSA-N 446.555 4.935 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 1670349766 JCRUDCPUEAONOM-CZUORRHYSA-N 442.869 4.862 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CC)c1nnc2n1CCCCC2 1672209471 DSHZDLXEWYBIQO-OAHLLOKOSA-N 448.365 4.605 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1)c1ccc(F)cc1 1673031982 XZIKHDCPOIIZSO-GOSISDBHSA-N 435.724 4.947 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(Cl)cc1F 1673239712 VEIPUNCRQNLTBI-VFNWGFHPSA-N 427.907 4.731 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@H]2COc2ccc(Br)cc2)cc1 1674524147 JNODHHNDVFLYDQ-SFHVURJKSA-N 429.314 4.536 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(I)cc1Br 1675116602 RHJOVARBMMAMKQ-TXEJJXNPSA-N 447.114 4.769 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1681741745 PLDZPNRQLRTJBY-OXJNMPFZSA-N 437.506 4.744 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C 1682626903 LFSVFQQPPGFPHN-JOCHJYFZSA-N 429.634 4.577 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(C)cc1 1684426250 VLFMIUXNRUGZIL-IBGZPJMESA-N 445.357 4.730 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(F)(F)c1ccccc1 1689951434 XBHCBKKADFNUCC-INIZCTEOSA-N 426.536 4.993 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(C(C)(C)C)no1 1690006289 MRACCMLJSCWHFB-KRWDZBQOSA-N 447.608 4.538 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)C(F)(F)F 1690038158 FJRFUQPYZIQGLL-UHFFFAOYSA-N 426.845 4.789 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1690247505 BMCHCBCTQHDJFM-KNQAVFIVSA-N 446.517 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc2ccccc12 1690272739 NGPILXPRINGRRJ-UWJYYQICSA-N 426.586 4.668 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccc(F)cc2)CC1 1690366005 MYJXMIOKYXHINS-RUZDIDTESA-N 442.579 4.592 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690406922 XVFQNNNLCSHKIT-SFHVURJKSA-N 425.577 4.508 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1690415718 VWLIXZDDOYGLMH-FQEVSTJZSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(CC)C(=O)C1 1690422279 JUANNPVXYABBFY-UHFFFAOYSA-N 437.632 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1690435115 RNZJSIUHPRWQHU-OFNKIYASSA-N 431.584 4.833 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1690511137 QRGVFBCWDSJDEV-IBGZPJMESA-N 426.605 4.939 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2CCCCCC[C@@H]21)C(C)C 1690583360 IGYPSKUADUHGAD-CJRSTVEYSA-N 441.664 4.987 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)cc2SC)C1 1690696598 FTIYSVMKDMUZNY-HXUWFJFHSA-N 435.597 4.508 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1691005640 DFZFWWUAKOESMS-PGYGNJIDSA-N 427.568 4.588 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1cccs1)N1CCCC1 1705483821 CUTAJRUZEPUYOS-SIKLNZKXSA-N 433.625 4.864 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](CC)C1 1705526758 LEAHKDWXXXPBIC-CYBMUJFWSA-N 425.421 4.514 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1705531325 FZZHLZPXNWEOSW-HXUWFJFHSA-N 446.599 4.522 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)c1cc(OC)cc(OC)c1 1705697933 YXRWXTRRUQDOQR-VGOFRKELSA-N 438.528 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(F)(F)F 1705700567 VSMTZWVYMJBWRD-LPHOPBHVSA-N 447.461 4.580 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705731564 XBZJMVDJHPMQFV-JTHBVZDNSA-N 448.615 4.660 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1705796915 MWWDGBWDODUHHZ-QNWVGRARSA-N 430.600 4.619 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CC(C)C)C1)c1ccccc1 1705797923 GPSJJKMKZSLPSL-GMAHTHKFSA-N 435.616 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC(C)(COC)CC1 1705802455 MGSRUMCBHRHRPK-UHFFFAOYSA-N 430.568 4.851 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc2ccccc2o1 1705826384 UBDBZWOVHCELDR-UHFFFAOYSA-N 437.931 4.969 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1CC2(CCOCC2)C1 1705834783 RYGISNOPPKVQKO-IBGZPJMESA-N 440.588 4.646 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705949067 NJTKQICNFWAUJE-FGZHOGPDSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(N2CCS[C@H](C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1705950359 YMZJINLNVWYJGW-RBUKOAKNSA-N 428.671 4.998 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1722326866 XUBFPDIZDCEGCI-HXUWFJFHSA-N 435.597 4.824 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722340042 KVGGBHXEVWUBAK-WIYYLYMNSA-N 433.383 4.599 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)S[C@@H](C)C1 1722455364 KGQDRKZGIUVSJL-KBPBESRZSA-N 441.453 4.949 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cccc(OCC(F)(F)F)c1 1722472287 BJXNZLYUTUPPFH-JOCHJYFZSA-N 434.506 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1cn2ccccc2n1 1722502540 VMHIFBSMEXWZLU-LJQANCHMSA-N 448.546 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)Cc1cccs1 1722512467 HRILAOHEPMSVMK-KRWDZBQOSA-N 448.596 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)C1CCCCC1 1722517724 XMHBHLJDURYFQO-XMMPIXPASA-N 430.568 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C)c1 1722588957 IAWLSTVEQYRDAI-UHFFFAOYSA-N 437.613 4.817 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)c1ccccc1 1722594830 RGJHRQYCFWWUMA-FYYLOGMGSA-N 434.588 4.556 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(N(C)C)CCCCC1)C1CC1 1722645946 BBOMWXALYUVOON-IBGZPJMESA-N 441.595 4.977 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC1(CC)CCCC1 1722661025 QIUCXAJHNUGYBD-UHFFFAOYSA-N 439.579 4.703 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1722671025 GBMOAWZEYKRWHE-IBGZPJMESA-N 427.593 4.514 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCc1sc(C)nc1C 1722672974 DMRHDDFISIJJCP-UHFFFAOYSA-N 432.597 4.824 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@@H](C)C1 1722734112 ASJVZNXAVAGZTE-KRWDZBQOSA-N 425.627 4.663 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC(C)(C)C1 1722736630 CZVCKWKABIFJSH-UHFFFAOYSA-N 427.618 4.693 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1c(C)coc1C 1740634072 FBOHOIXVGDBSNF-UHFFFAOYSA-N 430.552 4.701 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CC[C@](C)(CC)O1 1740642110 RMXHBLCOMUIFDS-AMGIVPHBSA-N 448.611 4.709 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccc(OC)c1 1740675114 FXLFSOWVJPMPDD-FGZHOGPDSA-N 438.616 4.643 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C(CC)CC)N(C)C 1740728269 SUPOHGLCAYVKKQ-ZJSXRUAMSA-N 428.024 4.957 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](CC)C1 1740740271 AFZANVUECCXELY-NSHDSACASA-N 446.212 4.914 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1740767507 VNVXRKKDIZHZSB-JTHBVZDNSA-N 425.621 4.576 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2cccc(C)c2)nnc1[C@]1(OC(C)C)CCOC1 1740817071 UGWUONCGAUQJQD-OFNKIYASSA-N 430.980 4.721 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCNC(=O)OC(C)(C)C)CC1 1740834643 FADVPMSUNXNLAU-UHFFFAOYSA-N 445.995 4.916 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1740856041 OJMAFYRHKXFFAZ-BBWFWOEESA-N 427.515 4.705 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(Br)cs1 1740950492 SCQUDCIWLWGOTR-UHFFFAOYSA-N 439.329 4.794 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCCSc2nccs2)C1 1740977030 BWWQFGLECHUWSL-INIZCTEOSA-N 445.589 4.504 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1740977300 FWAIBDIBCCFIJO-XUVXKRRUSA-N 445.489 4.892 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](SC)C(C)(C)C 1748779831 WRLXOOLOYGENNA-MRXNPFEDSA-N 439.398 4.694 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CC1CCC(C(F)(F)F)CC1 1749071559 IPSLOGOFYADVDV-RKOYOZNISA-N 431.506 4.625 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC2CC2)CC1 1749354741 YHTIENPYQONFJD-IBGZPJMESA-N 441.595 4.692 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749393531 YWAHRKIWWUJWRJ-LJQANCHMSA-N 425.968 4.696 30 10 IJEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1749459519 LWHSTSYYZORWQP-UHFFFAOYSA-N 445.611 4.723 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1sccc1Br 1749529698 KIGHFNUAIOLPMG-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1749558387 UIZCZWMUBHNIHB-DNVJHFABSA-N 443.680 4.743 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1749606488 ZRUJITDQPNHBBP-MRXNPFEDSA-N 427.936 4.688 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1749622480 XCZPAYVXAIWROM-UHFFFAOYSA-N 445.276 4.827 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1749640796 GSRXQTWUWAPMME-VQTJNVASSA-N 430.980 4.871 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(O)CCCCCC2)C1 1749699080 ZENCPGWBOYRBDE-GOTSBHOMSA-N 438.616 4.687 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1760135462 WUBSWAMQBSEPNO-PMACEKPBSA-N 446.599 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@@H](c1ccsc1)N(CC)CC 1760215645 IKZSYLKZMXEIMC-QHCPKHFHSA-N 449.599 4.692 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)(CC)C1 1760326617 XMQZJVXLBSZDLR-OUOWLKGYSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1760383086 GZJQSMOPIPZHQG-SQNIBIBYSA-N 430.515 4.527 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@H](CC(C)C)N(C)C)CC1 1760399593 SAEQZXLRBPFOKJ-QFIPXVFZSA-N 432.616 4.872 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760422162 BIPVGXGEEYVPCR-IBGZPJMESA-N 438.576 4.520 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760433009 XZOUDXDWKGEDQZ-MJGOQNOKSA-N 444.649 4.528 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1760437001 NXYFXRZWMFTHJA-HZPDHXFCSA-N 431.378 4.917 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1760445998 CKKXYGMOXBSHFQ-JOCHJYFZSA-N 431.540 4.906 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H]1C(C)C 1760479036 BZRLEHDSPLUNCT-LADGPHEKSA-N 445.567 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1Cc1c(CC)nn(C)c1OC 1760485807 QVQNRRMYJJBBKF-UHFFFAOYSA-N 448.596 4.552 30 10 IJEE COc1ccccc1Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCCC1(F)F 1768907924 BMHVZHPBDASREC-FQEVSTJZSA-N 443.542 4.833 30 10 IJEE CC(=O)c1ccc2c(c1)CCN2C(=O)C(=O)/C=C/c1cccc(OCc2ccccc2)c1 1860637443 WHIBYVVDCBJLBH-JLHYYAGUSA-N 425.484 4.640 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 1862391270 XCTKPWANJVHBIT-GMAHTHKFSA-N 437.511 4.926 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431461 HVBOWHXYNNTMLL-DNVCBOLYSA-N 432.303 4.751 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862432937 QGTDEYUPNNECCX-OAQYLSRUSA-N 438.911 4.825 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1862433144 VQKNCXACOVDHOA-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1F 1862477920 VQLCKWRKPGDXLC-JOCHJYFZSA-N 442.506 4.583 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 1862583412 ASCHDDNGPMKMQT-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(O)c2)cc1F 1862638991 OLESAVMOHUYGAV-BPSNYSSFSA-N 439.483 4.697 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1 1862651742 BSYMJHDLEAODJC-HSZRJFAPSA-N 443.499 4.861 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc2ccccc12 1862720453 WPXYMHFSMHJGSC-SSOJOUAXSA-N 437.495 4.952 30 10 IJEE COc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862798790 QGONVYAXZWDQPU-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc4c(O)cccc34)C2=O)cc1 1862926247 DHRLGYHSHQCXBD-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE Cc1cc(C)cc(OCCN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)c1 1863478898 QVJHUZVJJJEMJT-UHFFFAOYSA-N 443.528 4.508 30 10 IJEE CC[C@@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867014176 WDQUAZAZPAYTCJ-ZEQKJWHPSA-N 433.552 4.764 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867124959 ZDPJIAPQBIKAQI-XMMPIXPASA-N 445.950 4.901 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2cccc(Cl)c2)cc1=O 1870838765 SHSALMVBOHARGT-UHFFFAOYSA-N 433.980 4.599 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871983408 DSEUJOFJHMCEPV-FQEVSTJZSA-N 444.597 4.523 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872559391 KONFLKLAMCNIIL-QFIPXVFZSA-N 428.598 4.823 30 10 IJEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)C)C2)n1 1872777624 RVSQLEDTRAWBAD-MAUKXSAKSA-N 439.581 4.549 30 10 IJEE CCc1sc([C@@H](C#N)C(=O)CN2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(OC)c(OC)c1 1872799216 FFFWBILHIQIYMR-JZXOWHBKSA-N 441.597 4.544 30 10 IJEE CCOc1ccc(CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1OCC 1872847438 LZVPZBZNMOULRS-UHFFFAOYSA-N 444.531 4.907 30 10 IJEE C=CCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276328 ASXPCYDUZSNLNF-UHFFFAOYSA-N 425.444 4.640 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(F)c(F)c3F)c(=O)oc2c1C 1873911577 GOWIVFFNSJNLPW-UHFFFAOYSA-N 431.410 4.963 30 10 IJEE CCCCCCCCCCNC(=O)CCNC(=O)c1cc2c(OC)ccc(OC)c2[nH]1 1873934924 DPOSRIHKDZFZBJ-UHFFFAOYSA-N 431.577 4.562 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccccn1 1874289720 SNMWRUFCORJUFP-CVKSISIWSA-N 445.548 4.744 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(O)c(OCC)c1 1874317741 JDGWGTQOXAGQKM-JJIBRWJFSA-N 438.553 4.554 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc(OC)c1O 1874327872 LQGJMHDZOFBLFD-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccncc2)cc1 1874348075 UTSSKKSQEJEXKK-WGOQTCKBSA-N 429.549 4.755 30 10 IJEE CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874370872 VUYJENVDZAHVDE-HYARGMPZSA-N 430.599 4.915 30 10 IJEE Cc1ccsc1/C=N/n1c(CCc2ccccc2)nnc1SCC(=O)OCC(C)C 1874403944 AILPEGWKIOKQAS-YDZHTSKRSA-N 442.610 4.607 30 10 IJEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1O 1874428305 CGHBHEWBEMHXEX-KOEQRZSOSA-N 430.533 4.876 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1 1874428652 USAIJEKFGJEVRQ-PCLIKHOPSA-N 433.581 4.677 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)ccc1O 1874442425 BOBDUCOQWHSQND-LSCMLXDISA-N 438.553 4.717 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)c1 1874447957 PRRURYQYQJVJDW-GQBLCDNYSA-N 438.553 4.630 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874480328 RWHPQZNSHHFFCE-MFKUBSTISA-N 441.988 4.565 30 10 IJEE CCCSc1nnc(C(C)(C)C)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874484726 KMBSYAOUSCSGJS-RGVLZGJSSA-N 441.395 4.827 30 10 IJEE CCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2)cc1OC 1874501463 IUCODAAGOGKOLF-BUVRLJJBSA-N 440.569 4.787 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC 1874594405 INEDWRYWFRFNFU-ACCUITESSA-N 425.525 4.627 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OCC(=O)NCc1ccccc1 1874594449 KUEWWVWXJGSGIF-YRNVUSSQSA-N 437.442 4.565 30 10 IJEE CCN(CC)C(=O)COc1cccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)c1 1874599126 WKLHNKNXEIPCNQ-ZHACJKMWSA-N 431.916 4.501 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)Nc2nccs2)cc1 1874638846 VMINRJOJVNRBMN-XBXARRHUSA-N 428.897 4.719 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692345 BETJKTCSUFTTEC-NTEUORMPSA-N 447.443 4.874 30 10 IJEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Cl 1875097278 CXTSKYNNSLWVOX-UXBLZVDNSA-N 428.912 4.683 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1C 1875107593 YIKDPWZRNVWMHM-UKTHLTGXSA-N 431.444 4.956 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c1 1875144792 PDHRMPDFEAVVON-DHZHZOJOSA-N 433.416 4.727 30 10 IJEE CCCCc1ccc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)cc1 1891475839 DIDSMXZJLOBMSL-BJKOFHAPSA-N 435.593 4.933 30 10 IJEE N#Cc1cncc(C2=CCN(S(=O)(=O)c3cccc(-c4ccc(Cl)cc4)c3)CC2)c1 1891727315 ODCMSLRCJHDNMA-UHFFFAOYSA-N 435.936 4.752 30 10 IJEE C=C(Cl)C[C@H](N)[C@@H](O)c1cc(Br)cc(Br)c1OCCC 1921887721 DTGVASMLMXOQBT-STQMWFEESA-N 427.564 4.504 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1922082579 IFRKJKDZIOIJLV-MVERNJQCSA-N 446.632 4.526 30 10 IJEE C=C(C(=O)O)[C@@H](Cc1cccc(OC)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951602713 RVDUWZHBQZCGSX-RUZDIDTESA-N 443.499 4.786 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CCC12CCC2 2008287767 XBNPUIVPYHOICE-NRFANRHFSA-N 434.541 4.750 30 10 IJEE Cc1nn([C@H](c2ccc(C3CC3)cc2)C2CCC2)c(I)c1/C=N/O 2078994151 LZAJXKMGLPFFEP-NIQDBXHUSA-N 435.309 4.871 30 10 IJEE O=c1cc(-c2c(F)cccc2C(F)(F)F)[nH]c2c(Br)c(C(F)(F)F)nn12 2080939471 FEYYPXUZSUTHTR-UHFFFAOYSA-N 444.104 4.629 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2106591379 OSFVPEFZPWKMPA-UHFFFAOYSA-N 446.441 4.501 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(c2cc(Br)cc(F)c2C#N)C1 2118156300 JNEQTPMULOFDMA-CHWSQXEVSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)c2ccc(C#N)c3ccccc23)C1 2118199688 WBIYTRMDQHWFJC-UHFFFAOYSA-N 443.547 4.700 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(F)cc(Br)cc2F)C1 2126683931 DTEQERRRGOLGQB-MRXNPFEDSA-N 431.321 4.849 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1c(F)cc(Br)cc1F 2170705146 DKNBHRPTNZFFIQ-SFTDATJTSA-N 440.328 4.902 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cnc2C#N)c2ccccc2C1 2174709288 DBERVDDNSJJVME-UHFFFAOYSA-N 429.318 4.605 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2N1c1cc(Br)c(C#N)cc1F 2174766063 UCCWGHZJWRAAGS-IFIJOSMWSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2cc(Br)cc(F)c2C#N)CC12CCC2 2174812144 HPBUUZHOLMMKBG-CYBMUJFWSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CNc1cc(Br)c(C#N)cc1F)C2 2182503028 CAHYTPMGIHNBMG-YEWDVWPNSA-N 438.341 4.907 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1CCC 2224251584 YBJKPSRJNWAHRS-PBHICJAKSA-N 429.403 4.566 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2235733091 SZBBIXXAAQPCHG-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CN(Cc1ccc([C@H](O)C#Cc2ccccc2Br)cc1)C(=O)OC(C)(C)C 2235742801 ZKXRJIOMQLEZPU-HXUWFJFHSA-N 430.342 4.901 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2235748293 YDFUGMVNACZKNB-NZSAHSFTSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(C[C@H](N)C#Cc1ccccc1Br)C(F)(F)F 2235750683 XTJDZXRHECPKTD-RDTXWAMCSA-N 449.311 4.611 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(OC)c1 2266708522 QDPKBDATCANGOI-SJLPKXTDSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2268639577 QOZHJBIWQWDOEW-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@@H]21 2296273385 OOFKXKFHIWWGFS-TVTNDZMWSA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@H](N)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296273567 PMCXTHVIUHKGJN-GCJKJVERSA-N 435.406 4.801 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296284095 NEBGRABLJPKZBN-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC 2296289415 RJZUGJFSKGJBMA-ZCNNSNEGSA-N 435.406 4.814 30 10 IJEE C=CCCC1([C@H](C#Cc2ccc(Br)cc2)NC)CN(C(=O)OC(C)(C)C)C1 2296293574 LAZRXSHDUYMZPF-IBGZPJMESA-N 433.390 4.592 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](N)C#Cc1ccc(Br)cc1 2296297307 XLSDKEKAJMICLM-UXHICEINSA-N 435.406 4.992 30 10 IJEE Cc1csc(N=C2SC(=C3C(=O)Nc4ccc(F)cc43)C(=O)N2c2ccccc2)n1 2314543825 NFXJXTCTFYJKSU-UHFFFAOYSA-N 436.493 4.722 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1cccc(C(=O)O)c1 2314547941 NFFVKYXJUNBDSM-UHFFFAOYSA-N 443.322 4.937 30 10 IJEE COc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1O 2320922047 OIZFGGGJLYKGGN-UHFFFAOYSA-N 432.908 4.837 30 10 IJEE CC(C)[C@H]1C[C@@](N)(C#Cc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321505006 OIYGYVFRVGKFNV-GGAORHGYSA-N 441.369 4.565 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1 2323094472 VYKTYQJPDYBCEK-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)C[C@H]2CNC(=O)OC(C)(C)C 2323301448 WDBHZPMAPFYGCE-PMWKKSSLSA-N 442.600 4.993 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)OCC(C)C 2324009964 VQPSUOKWTVYFDN-UHFFFAOYSA-N 426.509 4.876 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)OCc4ccccc4)cc(C)c3C2=O)cc1 2324221194 YQTOUGRYPXFLFK-UHFFFAOYSA-N 430.456 4.742 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)C(=O)Nc1ccc(F)cc1 2324306755 NGYGICMXAPGTOH-AWEZNQCLSA-N 448.406 4.756 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325045236 YDGNCXJBKQUOPB-UHFFFAOYSA-N 425.437 4.632 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325121103 BXSIIWIOIAVRFK-UHFFFAOYSA-N 433.460 4.847 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325234858 JDBVNQJSNATMGV-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)c1 2325610295 UQDBTVFFYWEFRY-UHFFFAOYSA-N 448.288 4.766 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)[C@@H]1CCCO1 2325751183 LEDDDEJRAMJZTL-SFHVURJKSA-N 449.272 4.577 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1c(F)cccc1Cl 2326421529 RAVSJMYOBLSQEV-UHFFFAOYSA-N 432.908 4.819 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2cccc(Cl)c2Cl)c1 2326752382 VBDDFCVKDIJCLE-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OCC)c1 2327576095 NAROMXFIIQJGMM-UHFFFAOYSA-N 446.960 4.999 30 10 IJEE C=CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc2ccccc12 2327878682 WYJSFNWUTNLWKN-IBGZPJMESA-N 433.581 4.706 30 10 IJEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330632837 ZARKYVXCAJCSJO-UHFFFAOYSA-N 446.415 4.937 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cn(C)c2ccccc12 2331319329 HXOBSOIGGMTTDF-UHFFFAOYSA-N 446.580 4.725 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccccc1 2331406405 JMHBLDOYAKQIRP-UHFFFAOYSA-N 430.456 4.511 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)C=Cc1ccc(F)cc1 2332188521 NPTLGCUJRHDPTQ-UHFFFAOYSA-N 439.450 4.509 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](CCc1ccc(OC)cc1Br)NCCC 2364852545 KGEMTODVGDRYRE-RBUKOAKNSA-N 441.410 4.838 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1 8413354 NGZWKKTZPQFIFX-DEOSSOPVSA-N 430.552 4.534 30 10 IJEE COc1ccc2c(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)coc2c1 14621361 RGSRTVYJWYELCH-UHFFFAOYSA-N 436.518 4.638 30 10 IJEE C=CCn1c(SCCC(=O)Nc2c(Cl)cccc2Cl)nnc1C(F)(F)F 20840074 NCLLCDMVLRFDLO-UHFFFAOYSA-N 425.263 4.911 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(C(=O)O)c(Cl)c2)cc1OC 20879241 LOWURIUBHPUKFU-UHFFFAOYSA-N 426.694 4.986 30 10 IJEE Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c(C)n1-c1ccc(C#N)cc1 33664122 LVONVFQZYTZXBC-CIAFOILYSA-N 444.491 4.777 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)c3oc4cc(C)ccc4c3C)c(C)c(C#N)c2=O)cc1 38624449 JORSOCKICVUGPS-UHFFFAOYSA-N 426.472 4.685 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 41285166 ZALLGBVQELCPEC-UCQKPKSFSA-N 446.455 4.856 30 10 IJEE COc1cc(/C=C/C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)ccc1OCC#N 59584998 UVQKWDGEDOMSIA-UXBLZVDNSA-N 425.916 4.893 30 10 IJEE CSc1nnc(C)n1/N=C\c1cc(Br)c(OC(C)C)c(Br)c1 169914962 XMLVDULOCPXXLE-IDUWFGFVSA-N 448.184 4.503 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)cc1C 169956126 YODIZPQTXUFWDJ-DEOSSOPVSA-N 441.531 4.543 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccc(O)c2)cc1 170080346 DPMQKXFTFPTQQK-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170113576 LBESBHJKNCMKTK-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(OC)cc1 170115839 OCSUSRWRHVEWEU-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)cc1C(C)C 170203359 MKBYROCKTSUODW-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1O 170271943 SZYGDYXZVZRCAJ-FYSMJZIKSA-N 441.483 4.807 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)c1 170297204 HXFGKNBSWDMBKC-MZNJEOGPSA-N 443.499 4.998 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)cc1OC 170298954 KRVAFNXEJJVBDH-NRFANRHFSA-N 437.423 4.527 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccccc1)c1ccco1 170370954 LNUCQVSLWIEHBT-SFHVURJKSA-N 429.350 4.961 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])c(C#N)n2)nc2scc(-c3ccccc3)c2c1=O 302739583 QNJMRJGTSKKXQX-UHFFFAOYSA-N 447.501 4.637 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)N1CCCC[C@@H]1C)C(C)C 489639224 FDXIEXOOACAKOK-SIKLNZKXSA-N 442.629 4.869 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 510986867 XIJFEBLKCKMBFD-QFIPXVFZSA-N 439.943 4.760 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)cc2)ccc1OC 526516102 NJFHKBBZQCZSOO-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2c(CC)nnc2SCc2ccccc2)cc1OC 526800224 VNWUFRFJWCMPRC-IWIPYMOSSA-N 440.569 4.821 30 10 IJEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1[N+](=O)[O-] 526801217 GCAGUVMSRSPTOU-UUYOSTAYSA-N 429.477 4.597 30 10 IJEE Cc1ccc(CCCC(=O)N[C@@H]2CCN[C@H](C(=O)/C=C/c3cccc(OC(C)C)c3)C2)cc1 585838058 FWLGOHDLFGNHEX-GBCOPJIJSA-N 448.607 4.624 30 10 IJEE C=C(C)CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(C)c(C)cc1OC 586162244 QXCLRLRSXPXFRD-UHFFFAOYSA-N 442.625 4.543 30 10 IJEE N#Cc1ccnc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)c1 766956120 HUCCYJUUZBFKSF-UHFFFAOYSA-N 430.265 4.578 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)O[C@@H]3CCCN(c4ccc(F)cc4C#N)C3)o2)cc1 789475431 FUGNJLVSZYBQDB-OAQYLSRUSA-N 449.482 4.506 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 802550801 HIYLHOMHFCSPER-UHFFFAOYSA-N 429.565 4.567 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1cccc(C)c1 812174945 GJCVIXIFFSFZTJ-QHCPKHFHSA-N 445.567 4.931 30 10 IJEE O=C1C(=Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc2N1CN1CCOCC1 1084475152 WYKGARUQYWDEJY-UHFFFAOYSA-N 447.922 4.889 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OC(C)(C)C3)c(C(=O)OCC)c1C 1124820166 BLMMVSDBTARVER-UHFFFAOYSA-N 443.521 4.542 30 10 IJEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(Cl)c2)cc1C#N 1128318576 GRQJJYFULKKCTD-NRFANRHFSA-N 439.943 4.954 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Br)c(F)c1C)c1ccc(Br)cc1 1129610586 NEYKZZNOVXMSEL-HNNXBMFYSA-N 425.095 4.763 30 10 IJEE C=C(Cl)C[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)OCC 1132415027 DZRNBYBYSQOMEK-AWEZNQCLSA-N 447.771 4.850 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 1138257673 SUTNKZLGTKGDAM-UHFFFAOYSA-N 431.536 4.693 30 10 IJEE C=CCc1cc(C(=O)N2CC(Cc3ccccc3Br)C2)cc(OC)c1OC 1150537830 BTFYGUJEKIOMLJ-UHFFFAOYSA-N 430.342 4.510 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 1165507115 ADMFGLRBWLRKJZ-UHFFFAOYSA-N 434.323 4.549 30 10 IJEE C#C[C@H](N[C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1 1182043813 PAEWQCVXGPPLIS-NCOADZHNSA-N 432.280 4.623 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCCc2cccc(-c3ccccc3)c2)c(C(F)(F)F)c1 1192931798 FMTWZICNRRXOSA-UHFFFAOYSA-N 430.451 4.765 30 10 IJEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1200287579 WGPJQIBDVMGWCT-CQSZACIVSA-N 435.705 4.761 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 1209213038 GKAYLKKSIDQKGE-UHFFFAOYSA-N 439.920 4.503 30 10 IJEE C#C[C@@H](NC(=O)NCC1(N2CCCCC2)CCCCC1)c1ccc(Br)cc1 1210837567 RBPAFHAAHDZWQF-HXUWFJFHSA-N 432.406 4.611 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1 1214912495 XJTYOLCWEXLTAN-UHFFFAOYSA-N 447.457 4.764 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C)c1ccc(Br)cc1 1217214887 MAYDDKNNNGANQA-QGZVFWFLSA-N 445.267 4.624 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1221032366 RHELZDNNIAYJNE-IRLDBZIGSA-N 445.563 4.904 30 10 IJEE CCCc1ccc([C@@H](NC(=O)N2CCN(c3snc(C)c3C#N)CC2)C(C)C)cc1 1221701812 FNSVHCAVMUGYFK-NRFANRHFSA-N 425.602 4.505 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 1223583344 KUTZRGCAZDZCNW-UHFFFAOYSA-N 436.581 4.985 30 10 IJEE C#CCN(C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCc2ccccc21 1226632343 LTGKOVWRZGQXRZ-OAQYLSRUSA-N 434.927 4.655 30 10 IJEE C#CCN(C(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCCc2ccccc21 1230020680 KTSKBTMIBZZRTE-XLGIIRLISA-N 429.608 4.865 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(OC)c(Br)c(OC)c2)c1 1264919219 LZNDDZIZRUBAIF-UHFFFAOYSA-N 440.293 4.888 30 10 IJEE C#CCN(C(=O)[C@H](CC)OC1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 1265209821 JSXUYIGSTUJMHY-PMACEKPBSA-N 434.374 4.862 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2Cc3c(F)cc(C)cc3N2C(=O)OC(C)(C)C)cc1 1272015189 MYAORSPLOWEBBL-QFIPXVFZSA-N 440.515 4.682 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCSC2(CCCCC2)C1 1286333624 MHOWASVSJILHHV-UHFFFAOYSA-N 438.641 4.959 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CSc2ccccc21 1286368850 SPVAILHWJKXSRJ-ZDUSSCGKSA-N 445.411 4.728 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCC2(CCCCC2)O1 1286453789 WURMBCGGOJEKQJ-WOJBJXKFSA-N 440.563 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CCOC)CCCC1 1286528690 KWRCXMBHCHUYBV-DNRQZRRGSA-N 442.648 4.786 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)CN2CCCC2)CC1 1286663976 NOPSCWRSVGEXPJ-OAQYLSRUSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1286671162 SCXNFKFKGARHMK-IBGZPJMESA-N 434.588 4.737 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CC[C@]3(CCSC3)C2)nnc1C(C)(C)C)C(C)C 1286752494 XWIJRFKVJRTCJX-YKSBVNFPSA-N 431.694 4.608 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286771570 YIOZGPCPZHGJHZ-ZWKOTPCHSA-N 449.393 4.542 30 10 IJEE Cc1nc(C)c(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@H](C)CC#N)s1 1290373836 CCMUIAMNCXKXLY-ZIAGYGMSSA-N 440.642 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(C(F)(F)F)c1 1300324902 OIOJZPIAIGQLHE-MRXNPFEDSA-N 445.514 4.799 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300347311 CJBRAZWGMZBVGU-UHFFFAOYSA-N 449.555 4.552 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(CCOC)CCCC1 1300566007 ZSAODNWPRABZNJ-UHFFFAOYSA-N 442.966 4.797 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C 1300873009 DXNSNGFXPGWOQF-RXVVDRJESA-N 441.963 4.821 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1301000201 MRFKBSWEWAZUOS-JOCHJYFZSA-N 442.604 4.542 30 10 IJEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cc(Cl)ccn1 1301050086 KERYQOGAESOUPQ-UHFFFAOYSA-N 427.339 4.718 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 1301154023 IYXNBJPTUMMQFO-UHFFFAOYSA-N 448.590 4.634 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 1301231646 LXBLCORAJWYCMH-UHFFFAOYSA-N 444.023 4.931 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1301239824 VEBBROVJWGLJMQ-NHCUHLMSSA-N 449.599 4.559 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CCCC1(C)C 1301406355 QHUWVMAZRGOBBI-RUZDIDTESA-N 438.547 4.854 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1301618759 XUVPRESJOWJTMF-UGKGYDQZSA-N 426.630 4.896 30 10 IJEE N#Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1 1307240030 DTEAWYJBTOXUNK-UHFFFAOYSA-N 431.904 4.886 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1 1307802054 FQINOECFZCEETQ-DEOSSOPVSA-N 444.623 4.618 30 10 IJEE COC(=O)c1cc(Br)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 1351999780 FQIOCLKUZFKMDE-SNVBAGLBSA-N 433.327 4.546 30 10 IJEE C=CCN(C(=O)c1cnc2nccn2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1353537814 AJBFVGIADSZGNB-UHFFFAOYSA-N 430.320 4.992 30 10 IJEE CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 1355123652 ACZVFSBFXDZPCK-GOSISDBHSA-N 443.956 4.890 30 10 IJEE C=CCC[C@@H](NC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1ccc(C(F)(F)F)cc1 1357298356 VEPIUAHXOKOGNS-OAHLLOKOSA-N 446.878 4.595 30 10 IJEE Cc1ccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1N1CCOCC1 1358424457 FCZRBDVPWBBIJP-UHFFFAOYSA-N 443.522 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccs1 1358987483 IHVVLLOXVGFQCS-SFHVURJKSA-N 434.634 4.899 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1358988355 MAGDZKXWMPUSMC-FGZHOGPDSA-N 443.595 4.522 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1c(C)noc1C 1359003261 FFPBKEVKBMBJFD-AWEZNQCLSA-N 442.361 4.576 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCc1sc(C)nc1C 1359015617 ZIPLJDZLGFEGMX-INIZCTEOSA-N 425.577 4.887 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1scnc1C 1359094289 ZDKLPJRQKGHIEZ-FXAWDEMLSA-N 444.004 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1359110455 NCVAQRBNDPZDFR-XMMPIXPASA-N 446.599 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](OC)c1ccc(Cl)cc1 1359115096 KICJNPCKSHFHGJ-OAQYLSRUSA-N 425.964 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](CCC)OC 1359116535 OZRBGIPFAPSFAK-MOPGFXCFSA-N 435.613 4.568 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359167674 PIYPDFIFTKBHNA-AREMUKBSSA-N 434.584 4.727 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)OC(C)(C)C)CC1 1359175980 HXRJOOCMHBSPSI-UHFFFAOYSA-N 449.958 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C(=O)OC)C1 1359184083 BPRFRYKNOWKJRS-IAGOWNOFSA-N 442.629 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1359184948 GQBFBCZYRTUNCK-SFHVURJKSA-N 440.548 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1359185272 PZKJQCABXFYQJX-VWLOTQADSA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1359234420 OLIMUDGHBWYEJS-IEBWSBKVSA-N 433.394 4.781 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359337643 XKGNFTSEEGQBDQ-HFSMHLIXSA-N 446.592 4.624 30 10 IJEE C#CCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)[C@H]1CCOc2ccc(Br)cc21 1435174635 GVKTTYPYFUCKSO-SFHVURJKSA-N 443.297 4.519 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(-c2ccc(OC)cc2)nn1)c1ccc(C(F)(F)F)cc1 1435636223 YNQZLJHKUHBAQC-IBGZPJMESA-N 430.430 4.732 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 1435690371 CUPBXHKHENZHNT-KRWDZBQOSA-N 429.289 4.591 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2nnn(Cc3ccccc3)c2CC)C(C)(C)C)cc1 1435953703 PNLXLSGZMHYOQB-UHFFFAOYSA-N 432.568 4.895 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C(=O)N1c1ccccc1 1456971699 GGCPDGARAHEYRF-IIBYNOLFSA-N 445.906 4.928 30 10 IJEE C=CCn1c(SCc2ccc(Cl)cc2-n2cncn2)nc2sc(C)c(C)c2c1=O 1458828157 ZMEROEHGVCKLIE-UHFFFAOYSA-N 443.985 4.787 30 10 IJEE Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Br)c(C#N)c3)cc12 1460567019 FDDBUIIGNRORAF-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 1460842336 AEHLHNCMJSFDQN-DHLKQENFSA-N 426.516 4.546 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 1463861341 HREQOOSLBOISNC-FQEVSTJZSA-N 429.948 4.820 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 1464920449 QHHNOKDIGVBTOI-ROUUACIJSA-N 432.952 4.571 30 10 IJEE C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(=O)N1c2ccccc2C[C@@H]1C 1466272901 CGRWNYUZBVLJDT-ROUUACIJSA-N 440.503 4.838 30 10 IJEE CC(C)(C)c1csc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1C#N 1466646408 BOTXFUMESPEIAY-IBGZPJMESA-N 447.004 4.766 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(Cl)cc1 1470663638 VDXVNBRVSCSBOY-UYAOXDASSA-N 425.964 4.769 30 10 IJEE C#CC[C@H](NC(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1478246960 ZFCZXKKIAULIBV-QHCPKHFHSA-N 433.552 4.544 30 10 IJEE C[C@@H](NC(=O)N[C@H](COC(=N)O)Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 1478416039 CNOLOSHBAKEMPQ-KOSHJBKYSA-N 442.519 4.706 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@H](c4cccc(Cl)c4)C3)CC2)c(F)c1 1478807777 FQWJOFNODMUSEE-FPOVZHCZSA-N 440.950 4.909 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H](c4cccc(Cl)c4)C3)CC2)c(F)c1 1478807779 FQWJOFNODMUSEE-TZIWHRDSSA-N 440.950 4.909 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)c1nccs1 1507578427 YFEKLEGZHLSSQW-HNNXBMFYSA-N 444.402 4.817 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507595655 SPSZQKCHTWSDLS-XMMPIXPASA-N 449.643 4.671 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCc1ccc(Cl)s1 1507602753 PVCGYAPVGDSIKN-MRXNPFEDSA-N 444.988 4.844 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCc1coc(-c2ccc(C)cc2)n1 1507819886 WLQLGXTZUWELFR-OAQYLSRUSA-N 435.572 4.781 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507880815 MZKJXJGWETZVSZ-VGSWGCGISA-N 445.405 4.724 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1507897977 UJDXQVWXRCCXOM-SJLPKXTDSA-N 445.405 4.925 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(Cc2cscn2)CC1 1507943932 NLPLXJHWGOXCBY-JOCHJYFZSA-N 436.629 4.565 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@]1(C)CCCO1 1507998434 GNJYQZDBDXHHRN-DEOSSOPVSA-N 433.581 4.564 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCO[C@H]1CCCC[C@H]1C 1508003893 FTTDCCXIPFJCFK-OFNKIYASSA-N 432.572 4.523 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2ncc(CC)s2)C1 1508112467 PLENQPMMMIPLSM-INIZCTEOSA-N 444.004 4.641 30 10 IJEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CC1 1510322383 ADKIOMAHQSYKJC-QHCPKHFHSA-N 425.602 4.641 30 10 IJEE C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 1512106264 GNGULIHTSFQSMT-AOMKIAJQSA-N 447.505 4.537 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1)[C@@H]1CCCO1 1517656891 NZUVCRBXQXEEPP-ROUUACIJSA-N 448.375 4.672 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 1519576036 DMMHESQWMAYUHU-JOCHJYFZSA-N 427.386 4.843 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1csc(-c2cc(Br)cs2)n1 1521849496 JTQZDJONTWQPIY-UHFFFAOYSA-N 433.352 4.576 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cnn([C@H](C)c3ccccc3)c2)nnc1-c1ccco1 1529488164 AOKVUUHJHYNRIW-QGZVFWFLSA-N 448.552 4.651 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 1532434588 KUAIVUHMQKBGOT-ZRDIBKRKSA-N 425.286 4.758 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@](C)(OC)C1 1539052458 PGXMIFQEMDFWBN-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1539078286 XFPNVJOWUJYDDB-UHFFFAOYSA-N 447.652 4.835 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(OCC2CC2)CC1 1539096341 YSHHZNLYYIVCIT-UHFFFAOYSA-N 443.389 4.516 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C)c1ccccc1 1539185224 AIKPUTGRQGVBOB-WRGVRERRSA-N 426.582 4.793 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCCCC1 1539343466 KJQIOBOVNOCPID-QFIPXVFZSA-N 437.632 4.759 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(F)(F)F)CC1 1539497214 IHTATNJPNHAHLR-UHFFFAOYSA-N 428.911 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCOc1cccc(Cl)c1 1539547307 WZMQOIFZIWRFJK-JOCHJYFZSA-N 442.350 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C)cs1 1539566701 OCQBBQUYWYSLAB-RUZDIDTESA-N 449.624 4.960 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCN(CC)C1 1539656050 SKKKOPMOTUFNEK-OALUTQOASA-N 427.662 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCOC1 1539910074 UAAIJXAHAQYKRG-OAHLLOKOSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1539913124 ZPQZIARLNVRPAN-GOSISDBHSA-N 439.633 4.738 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1539992334 XVTBMOXZGHDRBM-SFHVURJKSA-N 444.023 4.943 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1540006542 WBFRSFIMZWCIRS-UHFFFAOYSA-N 436.579 4.704 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1csc(C(C)(C)C)n1 1540053755 ITXNGLSJUFYRHK-UHFFFAOYSA-N 441.601 4.581 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC1C[C@H](C)O[C@@H](C)C1 1540137574 VAYDSODWJHWIGH-CNNODRBYSA-N 442.579 4.707 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCc2ccccc21 1540857639 JRYXHEQGVCTBHE-TZIWHRDSSA-N 437.588 4.702 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOCC1 1540911658 XYFKLGPMPSKWQA-UHFFFAOYSA-N 430.574 4.569 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)CCCCCO[C@H]3CCC[C@@H](C)C3)c2C#N)C1 1540918651 RZBFJWNHOZEMMM-AEFFLSMTSA-N 431.602 4.619 30 10 IJEE C#CC[C@@]1(C(=O)OCc2c(Cl)ccc(F)c2Cl)CCCN1C(=O)OC(C)(C)C 1544091140 SPPMLRFUZAYCFQ-FQEVSTJZSA-N 430.303 4.969 30 10 IJEE C=C(Cl)CNC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1544096458 ODRREAWDQKCZKH-GOSISDBHSA-N 438.955 4.906 30 10 IJEE CC(C)c1ncc(Br)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)n1 1545025014 CMYHGMZKOCCRRD-UHFFFAOYSA-N 438.285 4.674 30 10 IJEE C#CCOc1cccc(Cl)c1CN(CCN(C)C)Cc1ccc(Br)cc1 1560809274 FUNCZKQKFHXWNZ-UHFFFAOYSA-N 435.793 4.678 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 1562303959 ABNZIGZBJHKWTM-JOCHJYFZSA-N 448.498 4.923 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)cc1OC 1583861550 WAOLDSCWXUJPNJ-ALCCZGGFSA-N 426.822 4.657 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 1584070982 DQAZBOKTAPTXFV-FQEVSTJZSA-N 429.442 4.731 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccco1 1584490538 AVHYBFHJTSHRRZ-KRWDZBQOSA-N 436.581 4.963 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@H]21)c1ccc(Br)cc1 1584709351 ZYNLJCRLRXKECK-QXCFHYIPSA-N 445.154 4.588 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)cc21 1585551675 IIELKSLVMJGINU-UHFFFAOYSA-N 425.330 4.837 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1587807318 BBVCCQBFZMPFLO-MRXNPFEDSA-N 439.922 4.582 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCN1CCCCC1 1587921591 CJWGNVKVLZWJND-UHFFFAOYSA-N 428.005 4.759 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1CC 1588189094 DCRQVQCQOPMVLM-ICSRJNTNSA-N 439.401 4.997 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@](C)(CC)O1 1588279762 AXRWZXZVNFPILO-IERDGZPVSA-N 449.368 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CCC(F)(F)F 1589559631 TXFBIYBRGXRXCL-CTNGQTDRSA-N 436.522 4.823 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CCOC)C1 1593712026 PIVZIOYORJHMDP-HXUWFJFHSA-N 426.605 4.698 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2c(C)noc2C)CC1 1594023296 HTABUVLPFJNAIW-CYBMUJFWSA-N 445.365 4.601 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1594202393 ODIIJLIKLJWQJH-IEBWSBKVSA-N 432.515 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1594484776 WNORAXIPSULJBH-GOSISDBHSA-N 442.608 4.711 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 1594535540 SHTUAAZQGOWEOP-FYYLOGMGSA-N 438.616 4.783 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN1CC 1595099400 AIEFYTGJBXHLMB-HSZRJFAPSA-N 434.632 4.805 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC1(SC)CC1 1595120066 LOKUIQOFJBKZAF-UHFFFAOYSA-N 425.627 4.722 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccccc21)C(C)C 1595171797 YMWHISBEERNRGH-ZEQRLZLVSA-N 435.616 4.913 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(C)s2)C1 1595680175 HQHFANKNSLGUTI-ROUUACIJSA-N 442.560 4.757 30 10 IJEE C#Cc1ccc(NC(=O)CCc2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)c(Cl)c1 1598567618 NDCJUPNQVGAKRW-GFCCVEGCSA-N 425.941 4.728 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(c3ccccc3C#N)CC2)s1 1613799379 HZTPRJXDYZEVNC-SFHVURJKSA-N 434.613 4.662 30 10 IJEE C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 1618114007 FCQCKADMFIZMQG-BFUOFWGJSA-N 437.849 4.631 30 10 IJEE C=C(Cl)C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)C(=O)OCC 1621479089 SNQLRPFNRNLNCF-AABGKKOBSA-N 436.980 4.791 30 10 IJEE CCNc1ccc(C#N)cc1NC(=O)Cc1cc(OCC)c(OCC)cc1Br 1622946929 DOZQSTVKDCZKJR-UHFFFAOYSA-N 446.345 4.731 30 10 IJEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1cc(C#N)ccc1OC(C)C 1622963052 GWOAFZLDTXJDPM-GOSISDBHSA-N 430.549 4.599 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1cc(C(=O)OCC)ccc1I 1626964102 PZWIVNWDFUMJSA-UHFFFAOYSA-N 444.313 4.582 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F 1627607297 HNVJRCYFYTZRHR-VUCTXSBTSA-N 431.512 4.788 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(c3ccc(OC)cn3)CC2)s1 1628464626 DERYALKYKHTODS-UHFFFAOYSA-N 438.018 4.648 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1ccccc1OC(F)F 1629763346 ZZTJKMVCOYTQCB-HUUCEWRRSA-N 432.895 4.891 30 10 IJEE COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1629932257 BGKWJMRGPQJHSN-UHFFFAOYSA-N 445.519 4.860 30 10 IJEE C=CCC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1634038842 GZTOKLOISDFDOT-CEXWTWQISA-N 440.506 4.898 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCCC1(C)C 1634973547 WOFHLFHWHIDVBO-INIZCTEOSA-N 433.350 4.775 30 10 IJEE CC(C)Nc1ccc(Br)cc1NC(=O)CCCC(=O)Nc1ccccc1C#N 1634999440 DTHCESPNYOEAKZ-UHFFFAOYSA-N 443.345 4.889 30 10 IJEE CCOC(=O)c1cnc2ccc(OC)cc2c1OCc1ccc(C#N)cc1Br 1641469343 CIUNAPLCDNWBBL-UHFFFAOYSA-N 441.281 4.633 30 10 IJEE C#CCOc1cccc(NC(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)c1 1649401962 XFRNALFEYRMIKS-NRFANRHFSA-N 449.551 4.967 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccccc2O[C@@H]2CCOC2)cc1OC 1656739142 ZQJSZNQQFAOZDK-MRXNPFEDSA-N 434.330 4.802 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2cc(Cl)c(Br)cc2C)c(OC)c1 1660321584 AGPFNOJRFVMSAJ-UHFFFAOYSA-N 431.735 4.916 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1OC 1660408997 SXRAOBWMDAZVSZ-UHFFFAOYSA-N 428.960 4.616 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl 1661862349 HLDOKMRMLBLLCS-QFIPXVFZSA-N 444.915 4.736 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)[C@@H]1CCCO1 1666426414 FBVKPEPXIWXTEN-ICSRJNTNSA-N 445.441 4.568 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(C)cc(CNC(=O)OC(C)(C)C)c2)cc1 1671131744 KROWGBKYWKCXPP-UHFFFAOYSA-N 425.529 4.906 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@](C)(O)c1ccccc1 1674202057 AUEQGRVRJIRUFM-AREMUKBSSA-N 429.520 4.817 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCCC(=O)OC(C)(C)C 1675198912 ZVYILIBMROPIDN-UHFFFAOYSA-N 443.357 4.798 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 1677622880 XXRRTHRHFAAKCC-FOIQADDNSA-N 433.346 4.589 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)c1ccc(F)c(F)c1 1680284297 LOQQRKXGIGKEQZ-DPLHUUCSSA-N 425.523 4.746 30 10 IJEE C#C[C@H](NC(=O)N1CC(Cc2ccccc2Br)C1)c1ccc(Cl)cc1F 1683516775 ISERCALUMGKEER-IBGZPJMESA-N 435.724 4.800 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N1CCC[C@H](C)C1 1689836077 XXAAEEYFZIBTFI-LWYYNNOASA-N 439.673 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCSC 1689837502 HJFDKEITMYVTTA-LBPRGKRZSA-N 427.799 4.572 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccccc1F 1690006563 STYGSKZBEITRRH-SFHVURJKSA-N 432.568 4.586 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1Cc2cccc(Br)c2C1 1690311647 QEUMIJOCIRIHCC-UHFFFAOYSA-N 431.378 4.811 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CCSC2)C1 1690333182 ZGGYGMPKPHRLLP-LJQANCHMSA-N 426.920 4.632 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCOC(F)(F)F)CC1 1690366396 ZHXIXZFRTNJQGY-UHFFFAOYSA-N 445.283 4.791 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ccnn2C)CC1 1690422678 WHYOYZXODXVZLB-UHFFFAOYSA-N 449.559 4.573 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690449570 KVCJWGLVXMSJKO-FPOVZHCZSA-N 426.609 4.759 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690460485 JAWHFABHFSJMLV-HXUWFJFHSA-N 448.615 4.771 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1690482883 CIPXPXOAGLNZBL-WOJBJXKFSA-N 448.514 4.665 30 10 IJEE C=CCCOCCn1c(N2C[C@@H](C)S[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1690511433 ZZTPQVKCTMTZAO-WOJBJXKFSA-N 426.630 4.671 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1690529784 AIIZKIGAGKSYBE-REWPJTCUSA-N 437.613 4.732 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)C 1690567487 FPKACWSANSFTDY-OYRHEFFESA-N 439.604 4.897 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1690663819 FDQTXJSHXGJYEH-UNMCSNQZSA-N 435.616 4.704 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690737221 DWHCAOOYXDPVOM-MGPUTAFESA-N 449.020 4.530 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1690742634 WYINMFKEVXJSSU-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1690744307 MDRPBVRJOFHBEM-ZWKOTPCHSA-N 433.647 4.588 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC(F)(F)C1 1690997306 IAFIJPBRJZPMDI-NEPJUHHUSA-N 444.349 4.800 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1692923119 IECWWLJRDWDSOR-WZONZLPQSA-N 433.556 4.950 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1693624815 HGVOOOSDEQZDAB-ZFGGDYGUSA-N 434.632 4.954 30 10 IJEE CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N(CC)CC 1694868989 CDFRZYGLYZDELI-FGZHOGPDSA-N 432.572 4.872 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(N2CCCCC2)CC1 1705519946 CEEFUZXKIUMWDH-UHFFFAOYSA-N 449.643 4.732 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(F)F)C1 1705527458 YSQGIEQWXYQTMR-GFCCVEGCSA-N 429.334 4.664 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705537483 HKTRZSDGBAIDSM-FXAWDEMLSA-N 431.005 4.643 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCSC1(C)C 1705546946 QRGGKGVRRLOOBW-GOSISDBHSA-N 436.581 4.718 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705653795 QAWFMXNSSXZFHF-LZQZEXGQSA-N 431.005 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CCC)CCc1cccs1 1705704589 WWUHYOGDNYJANH-UNMCSNQZSA-N 437.613 4.842 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1cscn1 1705706674 YIRNNURWJUEBAT-OFNKIYASSA-N 437.613 4.528 30 10 IJEE C=C(Cl)Cn1c(C(C)C)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1705747797 VSQFPWCUHPPJAH-HNNXBMFYSA-N 447.958 4.625 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1OCCC1(C)C)C1CC1 1705851199 XTWWESPWMIHWKG-JOCHJYFZSA-N 440.588 4.711 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)C 1705856831 HSZOASMNIFZOIR-UHFFFAOYSA-N 444.377 4.893 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1 1705862067 XWNAKMAVGJXDFD-FGZHOGPDSA-N 431.584 4.662 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](C[C@@H]3CCOC3)C2)nnc1C(C)(C)C 1705913969 CMJBFNXUICZPIJ-RTWAWAEBSA-N 438.616 4.832 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705942609 YCZYWSDOXABOAQ-YQVWRLOYSA-N 446.686 4.912 30 10 IJEE N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[C@H]2CCCCO2)CC1 1712881641 CAKTYZACVFKCBM-LJQANCHMSA-N 445.514 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](CC)N1CCCC1 1722301638 DDZREFMVDCWPLA-HKUYNNGSSA-N 432.037 4.556 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)Cc1csc(Br)c1 1722312793 JMPBVYYPYKNDEL-UHFFFAOYSA-N 432.391 4.548 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1N1CCCC1 1722314455 NZAWRBWICTUKQP-UHFFFAOYSA-N 428.584 4.689 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1722317640 HQSMTENTTQGCLO-HZAQMHFWSA-N 426.630 4.749 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1722388030 OEHONQCZAVYTMQ-FHWLQOOXSA-N 425.001 4.733 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCC[C@@H]1C 1722404745 CYQRKVRERVDYKL-AXHZCLLHSA-N 445.007 4.699 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C2CCC1(C)CC2 1722451764 NSKKWMXJGDNDSS-GENZYMQKSA-N 431.005 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC(F)(F)CO1 1722469548 ICEQGJPIQICNIT-AUSIDOKSSA-N 428.527 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N(CC)CC 1722493587 JZZYZEDXVDUBLC-BEFAXECRSA-N 449.393 4.544 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1722533510 ACMIVHCXPXDJDI-UHFFFAOYSA-N 445.489 4.728 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(O)c2cccs2)CC1 1722561390 SOOUKNHLKZZWRD-QFIPXVFZSA-N 446.523 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(OC2CCCC2)c1 1722666570 PVYJAHOVZDFHRJ-UHFFFAOYSA-N 440.551 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC12CCOCC2 1722689933 JEXRFPMKUAFUSO-SFHVURJKSA-N 428.964 4.506 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1727712677 FZNATNUZKIIRPD-DNQXCXABSA-N 448.659 4.986 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCc1nc(C)c(C)s1 1740676043 PHSDREXRCXXKMT-UHFFFAOYSA-N 425.577 4.671 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1Cc1ccc2c(n1)CCCC2 1740677822 ROMIJBJPIWVYNK-IBGZPJMESA-N 431.559 4.893 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(OC)CCCC1 1740764923 LVCOWFGJTNKJHZ-UHFFFAOYSA-N 425.577 4.509 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1740827403 VKYDTHCHDXEMJI-JOCHJYFZSA-N 436.629 4.565 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2ccsc2)CC1 1740872660 RBPPBAWHMVIULP-UHFFFAOYSA-N 428.005 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCSC(F)(F)F 1740921259 OQBGPAZYXZSKKJ-INIZCTEOSA-N 444.498 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1Cc1ccnc(OC(F)F)c1 1740923259 HSOHKIJEIQGXLJ-UHFFFAOYSA-N 431.512 4.844 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C 1740927581 VRFIZSIXPZWEOH-RBBKRZOGSA-N 429.653 4.638 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1740937376 FTMLSBHVDBUXLX-UHFFFAOYSA-N 448.571 4.516 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1740978777 CCQZYTHMICKITG-OTWHNJEPSA-N 449.521 4.799 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 1740997357 YWADVUJAQQHPTB-HNNXBMFYSA-N 426.508 4.712 30 10 IJEE CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(Cc2cccs2)CC1 1745558559 FAHDLYOTBLIFJU-UHFFFAOYSA-N 434.613 4.637 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)CC1 1745835114 AAWPVJQVOHSSPH-XUZZJYLKSA-N 439.629 4.888 30 10 IJEE COC(C)(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@](F)(C#N)C1 1748358405 GOJSMMFLEHMLQY-JOCHJYFZSA-N 443.523 4.680 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1748680030 NBXTZRAKEHAWNP-XZDHIHRUSA-N 433.600 4.580 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1748739096 VYVYCCBFZCALIW-OAQYLSRUSA-N 435.959 4.593 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 1749266467 IBRPZGCNKCRHML-MRXNPFEDSA-N 442.894 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1 1749370301 GSQGFOJYYQNVSB-VWLOTQADSA-N 426.605 4.875 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCSC1 1749529247 AKQOZRXFGARYLE-IFMALSPDSA-N 442.629 4.864 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](F)C1 1749553911 WZWYOUJUZZKYMT-MOPGFXCFSA-N 428.581 4.532 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@H](C)C1 1749592479 NMXWAFOJVPLGLI-DLBZAZTESA-N 433.394 4.783 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1749763948 ODHNKILZPUSOHG-SLFFLAALSA-N 442.629 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C(C)(C)C)cs1 1760124232 QCZGUMRIZFVYSH-OAHLLOKOSA-N 444.004 4.771 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](CC)C1 1760145232 KNQPGCFQRNMPMV-AZUAARDMSA-N 430.980 4.717 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1760391183 UGKCKNPQKJFDQQ-BGYRXZFFSA-N 443.586 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760408782 RQWMEMWWOWGFPM-LEWJYISDSA-N 440.588 4.712 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1760423847 OIMDNZXUNLTJJD-QHCPKHFHSA-N 441.938 4.587 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760433669 KOJSRUYUSDHKHI-LJQANCHMSA-N 441.645 4.546 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1760493342 BKRJWXKKIMBUQI-NRFANRHFSA-N 447.539 4.592 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@@H](C)CC#N)C1 1766077899 BVQVEUGIZFFVCB-QYZOEREBSA-N 440.661 4.602 30 10 IJEE CS[C@H](C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N 1770409333 HFZYFPRCERLEAV-LSDHHAIUSA-N 426.615 4.724 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CC1 1772516700 GLCKYOXAPGKPKJ-UHFFFAOYSA-N 449.407 4.522 30 10 IJEE O=C1NC(=NN=Cc2ccco2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 1772724207 KHTBVPGWRIMIGG-CLDDIGBZSA-N 439.500 4.726 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccccn4)oc3c2)c(C#N)c1C 1859736078 HYSPFLVARNUOHZ-UHFFFAOYSA-N 432.461 4.560 30 10 IJEE CCC(CC)C(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 1860089496 DKQMNJYTWSFCEH-UHFFFAOYSA-N 425.554 4.891 30 10 IJEE COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860132701 HHSONQUJPGRGPQ-OAHLLOKOSA-N 449.894 4.879 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862434985 LMGJLPSKBNDJSO-HXUWFJFHSA-N 439.895 4.648 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862480891 QXGYYVNXDSUWCN-HXUWFJFHSA-N 431.891 4.791 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccccc2Cl)c1 1862491443 SSJVPVNFFRPGMH-OAQYLSRUSA-N 435.911 4.501 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 1862580393 ISUAGZVEUYMVRF-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862603047 PVFXSFJVWCRPEB-XMMPIXPASA-N 441.483 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(Cl)cccc2Cl)cc1F 1862643192 MJBVDDAZNKSLDC-GOSISDBHSA-N 436.266 4.882 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 1862746841 FFSOOFZBQCIVDL-AOMKIAJQSA-N 428.444 4.934 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(c3ccc(Cl)cc3)C2=O)c1 1862799130 XOIINCBMGPLELX-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccccc1F 1864068221 COYMWNVKQIJMEG-HXUWFJFHSA-N 442.579 4.683 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NC(=O)c1ccccc1-c1ccccc1 1870146691 DZHYYEHPYVAVKH-UHFFFAOYSA-N 434.503 4.658 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1cccc(Cl)c1C 1871022420 PCJLEQMESBXTHY-UHFFFAOYSA-N 444.959 4.863 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c(OC)c1 1871386713 JFLOMUPZGWFCIF-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871390263 NFNZLKRFHNBGML-XKZIYDEJSA-N 443.455 4.787 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4C)c3C)C2=O)cc1 1871453787 RERHMLMNBHLVEC-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE CN(Cc1ccccc1)c1nc(Nc2ccc(C#N)cc2)nc(N(C)Cc2ccccc2)n1 1871731433 RKRJQDOGHMCMPW-UHFFFAOYSA-N 435.535 4.760 30 10 IJEE Cc1cccc(N2CC(=O)C(c3nc(-c4ccc(Br)cc4)c(C)s3)=C2N)c1 1873529974 UHSFDBTYEUTKBQ-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE C=CCn1c(C(=O)NCCc2ccccc2)cc2c(N(CCCC)CCCC)ncnc21 1873591909 WXHPACRBYNPVLR-UHFFFAOYSA-N 433.600 4.996 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1O 1874212895 KRDGJPKXOWSOIX-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1O 1874461525 RDDIIFNRVSJZFP-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cc(Cl)ccc1O 1874503684 VEKOGSHKJDXWOA-FSJBWODESA-N 443.960 4.511 30 10 IJEE Fc1ccc(COc2cccc(/C=N/n3c(S)nnc3CCOc3ccccc3)c2)cc1 1874562647 JCHQPHDGXDSQNW-WGOQTCKBSA-N 448.523 4.789 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)N[C@@H](C)c3ccccc3)c2)c1 1874593867 FXBORRWSPNSODZ-XUDAUXSOSA-N 445.515 4.856 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)c1 1875102366 RTQKIGVLENIADU-ZRDIBKRKSA-N 447.443 4.622 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccccc3)CC1)n2C 1875197448 HDRUWGXGLZAEIJ-UHFFFAOYSA-N 448.615 4.703 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H](C)Oc3ccccc3Cl)ccc21 1890683215 LAQLFIGYUGVLOH-OAHLLOKOSA-N 428.916 4.684 30 10 IJEE N#Cc1ccc(CC(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)cc1 1890700368 SQNWUABNYOEZPD-UHFFFAOYSA-N 433.515 4.512 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(-c4ccc(C)cc4)on3)ccc21 1890929353 YCAMGPDPDGAMIT-UHFFFAOYSA-N 431.492 4.840 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)NCCC 1922106398 CLWKYEAQVPAZTC-OALUTQOASA-N 430.511 4.973 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 1922808856 BITXWZBHDDXQJR-GJZUVCINSA-N 446.632 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 1990177327 QPLJGLHDRVLRNO-FGZHOGPDSA-N 428.598 4.943 30 10 IJEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2065622945 VVGRCMPWNUNRMD-YADARESESA-N 445.560 4.736 30 10 IJEE N#Cc1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1I 2079183413 SCEYLLLEPZFAQV-UHFFFAOYSA-N 449.067 4.525 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2089291833 MYDOVBMGHMVFPM-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cccc(Br)c2C#N)[C@H](C(F)(F)F)C1 2163252858 DEVZHZIVMLPQOH-WCQYABFASA-N 448.283 4.778 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181103333 NFVDPORUCOQSNB-WWGRRREGSA-N 436.350 4.541 30 10 IJEE Cc1cnc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2190478366 LIHCXHPMGJLORM-ZPFZUWPUSA-N 448.416 4.509 30 10 IJEE CN(C[C@@H](Oc1cc(Br)cnc1C#N)C1CCCCC1)C(=O)OC(C)(C)C 2198829543 PERLTVFWBJTROX-GOSISDBHSA-N 438.366 4.910 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](O)C#Cc1cccc(Cl)c1 2212454750 MGDGMJQVRIFAIF-YADHBBJMSA-N 429.944 4.553 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2C(=O)C#Cc1ccccc1Br 2235721356 IIJNHWWXXHRKJN-LMMKCTJWSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@@H](N)C#Cc2ccccc2Br)C1 2235748746 CHCHBFPUDZMUNH-HKUYNNGSSA-N 435.406 4.801 30 10 IJEE Cc1cc(Cl)c(Br)cc1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284349777 GVVXMOAUXOKIMD-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE C=CC[C@]1(COc2cc(OC)c(Br)cc2N)CCCN1C(=O)OC(C)(C)C 2287691326 TZZVDEQHCCOHHR-HXUWFJFHSA-N 441.366 4.765 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296277610 USWLRROUKZCJSZ-XMSQKQJNSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2296297248 WTEBZGCBMJUHDN-YVWKXTFCSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2296308219 FIEAWCBALGGKLY-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C(F)(F)CN(C)C(=O)OC(C)(C)C 2296308319 GLXLKAZHZWVAED-KRWDZBQOSA-N 445.348 4.671 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@H](N)C#Cc1ccc(Br)cc1 2296310853 OSKKRIDQZOJRMI-KNQAVFIVSA-N 435.406 4.992 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccccc2OC)CO3)C1=O 2321993723 KMXFBEUOCYAPLA-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2COCc2ccccc2)cc1OC 2322016114 WRZRNCYRLTUTTA-UHFFFAOYSA-N 440.569 4.743 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(Cc1nc3ccccc3[nH]1)CO2 2322192805 FNERIPYDEIAXEW-UHFFFAOYSA-N 441.462 4.979 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCC(N)=O)cc1 2322401904 QLPZDKRISZNWKH-UHFFFAOYSA-N 446.341 4.561 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)NCc1ccccc1 2322481627 VTNQFIJURNXXCM-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c1 2323186783 FRXJKTXRUXUECE-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2323186957 NDDPVIYOBGBBTE-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE COc1cccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c1OCc1cccc(C)c1 2323370458 JCHDELPDSOFCSX-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1 2325481532 HFEHPDSDNRQFBV-UHFFFAOYSA-N 428.517 4.742 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OC)c1O 2327649276 AEXPHVVAAGGCJQ-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OCC)c1 2328075493 DOGHBHKWBBALJY-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE Cc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCC(=O)OCC(C)C)c1 2330209983 GJVUYEXIYQKRIN-UHFFFAOYSA-N 436.581 4.545 30 10 IJEE Cc1ccsc1C=Nn1c(SCc2nc(O)c3ccccc3n2)nnc1C(C)(C)C 2331403784 JKTCAWUNCYEYFR-UHFFFAOYSA-N 438.582 4.769 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(COC)c1 2337130243 HGNZSSSRKZPFIE-QZTJIDSGSA-N 427.383 4.716 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]1C(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339575653 AOEJKBOYFMCCPN-SFHVURJKSA-N 444.381 4.893 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197398 LJXOLONCJDYFCD-BTHPGYMESA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2360197526 OGOIOKVZGCGKIN-YTQUADARSA-N 432.358 4.938 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](CCc1ccc(OC)cc1Br)NC 2364846750 OIEMWULAHIOCOK-OALUTQOASA-N 441.410 4.838 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1C(F)(F)F 20839747 JXJNMVOHAHFHJY-UHFFFAOYSA-N 444.788 4.886 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c(OC)c1OC 33719337 USIGISXHQAKLNI-FYJGNVAPSA-N 432.428 4.548 30 10 IJEE CCc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 35444462 LUKFFKHDQDPJAI-QSRJBLIVSA-N 441.531 4.514 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)c1 41287600 YDEGIDDSJXNFLU-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(Cc1ccccc1)CO2 41650223 FZOXMIVMKFLESV-KSEXSDGBSA-N 427.456 4.692 30 10 IJEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 103111752 KCMHMXOQWYDPPL-RKKARLDVSA-N 446.890 4.926 30 10 IJEE Cc1nc(-c2ccccc2)sc1CO/N=C(/N)c1ccc(OCc2cccnc2)cc1 110271195 CIZUKJLVCYIQML-UHFFFAOYSA-N 430.533 4.930 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(O)cc2)c1 169965327 PUUBJQYAJAUFAI-JOCHJYFZSA-N 439.471 4.668 30 10 IJEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)c1 169981588 AWUVMXGTRGJQIG-DEOSSOPVSA-N 447.531 4.930 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)c1 169983347 OXRDOMIWAMLTDP-OAQYLSRUSA-N 433.485 4.877 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)c1 170009481 JVCNHMMACIJGAI-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1cccc(C)c1 170147052 DDUQSLQRZVVQNE-FQEVSTJZSA-N 429.900 4.654 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1C 170161227 AEAOVCMARGWEAJ-OAQYLSRUSA-N 430.485 4.720 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)cc1Cl 170170512 RFVPQBWZAFMEPZ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170178370 RCFVYZKOWGUDFC-IBGZPJMESA-N 440.286 4.562 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)c1 170188042 FLBQGYSMBKDVKF-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 170190834 AFTYKNBOIAFSEN-QHCPKHFHSA-N 439.471 4.523 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)c1 170233663 BJZNCMZRWNXVFF-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)c1 170238817 IQDYYYMOLLHRPE-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1Cc1cccs1 170269784 UIWAQJJAXSPTCC-JOCHJYFZSA-N 447.512 4.606 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCOC(C)C 170277938 BNASPQHKLLVYBB-HSZRJFAPSA-N 432.520 4.870 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1 170305203 ZQKWIGPDRCADPO-JOCHJYFZSA-N 428.444 4.641 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 170413805 XQNZCMCHPALHON-DEOSSOPVSA-N 441.531 4.706 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cc3cccc(Cl)c3[nH]2)nc2ccccc12 170509538 PXZDZUFIUQDIEK-UHFFFAOYSA-N 426.867 4.988 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](c1ccccc1)c1nc[nH]n1)c1ccc(C(F)(F)F)cc1 446652813 KBJXUVSRCFEPAN-RBUKOAKNSA-N 429.446 4.920 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 460384059 XHEYWGYXNCLAOL-FQEVSTJZSA-N 448.523 4.609 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)nnc1-c1ccco1 482040897 VHTFNEQRVUIJPY-OAHLLOKOSA-N 442.507 4.643 30 10 IJEE CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCN(c2ccccc2F)C1=O 490220889 GWCLXCAHUKTNCC-QHCPKHFHSA-N 444.466 4.759 30 10 IJEE C=CCCc1ccccc1NC(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 505006788 WLVHUHHFARJIAC-UHFFFAOYSA-N 436.600 4.954 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 508702022 XZXYMBIIGZWAEC-OAQYLSRUSA-N 434.588 4.821 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 509010456 GPVXDQCDBORCOA-QGZVFWFLSA-N 426.952 4.599 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 523907283 XGQYCVYKSCDZJZ-PMERELPUSA-N 429.542 4.862 30 10 IJEE C[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(-c2ccc(F)cc2)cc1 539869274 ZMCRQVQEUTUSKD-GOSISDBHSA-N 445.494 4.991 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 543873148 GVFZNUGDFPWPRQ-ACJLOTCBSA-N 449.498 4.528 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 549637911 DODLLXBRXKZKEZ-RTWAWAEBSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](Cc2csc3ccccc23)C1 549638438 KEIRKZSDUZPVGD-RXVVDRJESA-N 438.597 4.616 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1F 698377490 SLNILAYWOYALLF-QGZVFWFLSA-N 428.346 4.732 30 10 IJEE COc1cc(Br)c([C@H](C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1OC 698964374 LJNHNUSXQUIQEC-ZDUSSCGKSA-N 440.298 4.578 30 10 IJEE C=CCC1([C@H](Cc2ccc(Br)c(F)c2)NC)CN(C(=O)OC(C)(C)C)C1 722930884 YJTMPJDCRHKZNA-KRWDZBQOSA-N 427.358 4.532 30 10 IJEE C=CCC1([C@H](Cc2ncc(Br)s2)NCCC)CN(C(=O)OC(C)(C)C)C1 722941014 NTNZSDVMOBKANS-AWEZNQCLSA-N 444.439 4.630 30 10 IJEE N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)CCN1C1CC1 732649613 LUDFPWONYMFWMX-JXAXNMIRSA-N 434.543 4.534 30 10 IJEE Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(F)c(Cl)c1 736274674 MUDPMDPULNMGMC-UHFFFAOYSA-O 440.907 4.976 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(CN4CCOC4=O)cc3)c2)s1 740443228 GCKPABMTGMBLFQ-UHFFFAOYSA-N 432.505 4.561 30 10 IJEE CC(=NNc1cc(C)ccc1F)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 759651927 DCTWIZBMFDNDMR-QHCPKHFHSA-N 445.498 4.732 30 10 IJEE C=C(C)CNC(=S)/C(=C(/O)c1ccc2c(c1)C(C)(C)C(=O)N2)[n+]1ccc(CCC)cc1 763103743 ZDJCRIIUTPWCQI-UHFFFAOYSA-O 436.601 4.533 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@@H]1CC(C(=O)N[C@](C)(C#N)CCc1ccccc1)C2 796332873 VVRHFYLEKNZPEJ-HVXHQWDNSA-N 439.600 4.737 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)c1ccc(Cl)cc1 810473529 DMSLLNJHBPAKAU-HXUWFJFHSA-N 448.954 4.561 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 1084613953 VFUFUAWFMAWZAZ-HNNXBMFYSA-N 426.300 4.723 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2c(Cl)cc(C#N)cc2OC)s1 1124152183 AQKNROXDWGVDTP-UHFFFAOYSA-N 429.350 4.978 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c(C(=O)OCC)c1C 1124820388 FWJQREITMMZYGP-MWTRTKDXSA-N 427.522 4.708 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CCCC1(C)C 1128467739 AVJPBQRJRQZHSX-HSZRJFAPSA-N 438.593 4.645 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C(F)(F)F)cc1 1128968930 USITUSYSYJVVCJ-FQEVSTJZSA-N 434.410 4.849 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)C(=O)OCC 1133157175 GYLDSXKVEDKXGO-GOSISDBHSA-N 427.526 4.504 30 10 IJEE C=C(CC(C)C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1141396217 ZVKNCXCSLZJLOG-CXUHLZMHSA-N 427.353 4.748 30 10 IJEE C=C(CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 1141793101 CGLKTJNYZVMYLU-UHFFFAOYSA-N 440.952 4.892 30 10 IJEE C=CCc1ccc(OCC(=O)NCC2(c3ccc(Br)cc3)CCC2)c(OC)c1 1142066779 YKWABUBZRKIMGG-UHFFFAOYSA-N 444.369 4.803 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(OCC)c(OCC)c2)c1 1142211661 ZZIZYPDRTORZJL-UHFFFAOYSA-N 427.500 4.626 30 10 IJEE CCc1nc(-c2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc2)n[nH]1 1143482111 ARBURROKXNCUIR-UHFFFAOYSA-N 441.466 4.876 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C)c1ccc(Br)cc1 1159634628 OTSFLJBTHSEGDY-LJQANCHMSA-N 428.717 4.701 30 10 IJEE N#Cc1ccc(S(=O)(=O)CCN(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1 1167353295 IACPNDGGMLCWAS-UHFFFAOYSA-N 436.499 4.796 30 10 IJEE CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@@H]1c1ccccc1 1187778269 FYJUJSWNNALGEU-BEFAXECRSA-N 433.371 4.525 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1)c1ccc(Cl)cc1F 1214412633 IXEZQAKNAYUSSN-OAHLLOKOSA-N 430.785 4.925 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 1227996204 BXLABSJWSQPKEB-AZUAARDMSA-N 436.339 4.597 30 10 IJEE C=C(CC)CNC(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 1230063558 RULWFSYWKJMQGQ-UHFFFAOYSA-N 448.430 4.971 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc3c2OC(C)(C)C3)c(C(=O)OCC)c1C 1264357223 IAYVBURQIPCWIC-UHFFFAOYSA-N 443.521 4.542 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 1264942689 BTFYTRNSVYOFFC-OAQYLSRUSA-N 428.919 4.908 30 10 IJEE C=CC[C@H](OC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)c1ccc(Cl)c(Cl)c1 1270234812 CBAKTXZNIYWKQY-BONVTDFDSA-N 445.393 4.819 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)c(OC)c1 1271139481 IJOBHUQMIWQRCF-UHFFFAOYSA-N 444.959 4.965 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C 1275388986 BDDLREVROFRURV-CYBMUJFWSA-N 427.339 4.598 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(CC)c1 1286316346 BELBTTZVUWVLKS-UHFFFAOYSA-N 431.371 4.908 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1286334665 XYYJNFHNIFQINT-JOCHJYFZSA-N 449.643 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)CCC 1286518023 OZYAQCYDJIVROF-RPWUZVMVSA-N 426.630 4.819 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2Cc2cccnc2OCC(F)(F)F)CC1 1286643909 ALAZQSGLOJPLDJ-UHFFFAOYSA-N 447.436 4.625 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)COCC)CC1 1286665103 RYAJAGOIWXQPNG-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(CC)CC)CC1 1286665978 BFCXFPHMDATGEZ-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCCCCn1c(N(C)Cc2ccoc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286691683 NVOKKPDCKABIBF-BGYRXZFFSA-N 443.592 4.943 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1286695030 MNKIGCQQOPFDHW-RLLQIKCJSA-N 448.995 4.505 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccccc1Cl)N(C)C)C1CC1 1286735174 PQJQGVNXOKQDSH-FQEVSTJZSA-N 425.964 4.958 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccnc(SC)c2)cc1 1292503203 GSIGYEUUDUMYHR-XMMPIXPASA-N 432.597 4.803 30 10 IJEE CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 1293175548 CWJTVPDXDNPATK-FQEVSTJZSA-N 448.311 4.508 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)c1 1296416924 JWSHXCMDPQQJOD-UHFFFAOYSA-N 447.959 4.518 30 10 IJEE C#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CCC2 1298689576 JLFPMTROAPXUSZ-NZCCEVMUSA-N 430.935 4.879 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1300345266 RNQHAGCFFGGDHN-UHFFFAOYSA-N 449.502 4.869 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCC[C@H]1OC 1300591367 OWYYMJSLJVTXIA-ISKFKSNPSA-N 448.611 4.567 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@H]1OC 1300602387 QHKBKVKEYDTMMV-QKNQBKEWSA-N 445.007 4.963 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H]1N(C)CCCC1(C)C 1300649904 YFRRVJGTKHCGDQ-HSZRJFAPSA-N 437.607 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1cccc(OCC)c1OC(F)F 1300802108 HNUNYOVHUZCFJU-XMMPIXPASA-N 444.526 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCN1CC 1300816330 MCUWUALYLLWHCE-WXVAWEFUSA-N 449.643 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Cl 1300886470 XTPYMEIQJKITQQ-JBACZVJFSA-N 430.980 4.791 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1301119659 RGGHAVOINPFJMN-FNZWTVRRSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301149067 WBEPAGNPVZMWIW-LEWJYISDSA-N 428.552 4.839 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(=C)CC1 1301150204 NVOKZXKRNMOPOK-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1301155702 RZSRQONJZFFJCM-LEWJYISDSA-N 439.648 4.593 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301207461 WMYUVZYMILTWIR-IBGZPJMESA-N 442.514 4.760 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@H](C)C1 1301335157 YDHFOSSLSQEYPL-RTWAWAEBSA-N 449.599 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1Cc1ncnn1-c1ccccc1 1301356558 BIBVUSFFTNTMHJ-SFHVURJKSA-N 433.585 4.675 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(c2ccsc2)CC1 1301473407 AXVJUMGFFWNPNQ-IBGZPJMESA-N 443.617 4.982 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC=CCC2)C1 1301542151 KPVNXQFVSGAVEE-HZPDHXFCSA-N 449.418 4.907 30 10 IJEE CCN(CC)c1ccc(-c2nnc(SCc3cccc(C(=O)OC)c3C#N)n2CC)cc1 1307247669 HIGVUDUZHSSZAC-UHFFFAOYSA-N 449.580 4.762 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1)c1ccc(F)cc1 1310192810 ZPGOMALPQRZLBA-OAQYLSRUSA-N 428.939 4.507 30 10 IJEE Cc1ccccc1COc1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 1310293499 HYMXCZDYSGJGFP-UHFFFAOYSA-N 444.510 4.939 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2ccnc(C#N)c2)c2ccccc2)cc1Br 1311071692 ARWKSUOJHQYJIK-HXUWFJFHSA-N 437.297 4.635 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1312671670 KGNCRAJPRRUWPE-UHFFFAOYSA-N 447.501 4.688 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)cc2C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1346076239 BLTUVPOSIYXOKA-UHFFFAOYSA-N 443.595 4.845 30 10 IJEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CCCC1 1348612550 RQBONJNYHAUHOM-GHDARCQNSA-N 430.614 4.865 30 10 IJEE C=CCc1ccc(OC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c(OC)c1 1349158462 LKKLXAQMXBZWOP-UHFFFAOYSA-N 429.472 4.559 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1OC 1357491939 GJDDISVYVIUNPQ-LQPQSIOESA-N 446.591 4.690 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C(C)C 1358871896 LUFWMJDFLJQHDN-BJLQDIEVSA-N 432.996 4.817 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1358920770 HPSZOOKQMRAQNX-YADHBBJMSA-N 447.558 4.815 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@]2(CCSC2)C1 1358923850 DDBNCZNWNIFXMM-HXUWFJFHSA-N 449.393 4.594 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)Cc1csc(Br)c1 1359049959 ZYFYWLPSPJGNQV-CYBMUJFWSA-N 427.437 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)SC 1359067397 LWKUBBZJYQZKRD-XMMPIXPASA-N 442.629 4.876 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCC(C)C)C1CC1 1359078983 VDOCXFRDKGJSFM-UHFFFAOYSA-N 434.338 4.777 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1c(F)cccc1F)C1CC1 1359098955 ICEKRQYKTCHTIF-GAJHUEQPSA-N 430.543 4.905 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(Cl)c1C 1359107399 LNIVHVYVHBCESF-HSZRJFAPSA-N 432.996 4.731 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359146732 IHRUPADBUKBXSA-CTNGQTDRSA-N 444.023 4.795 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2CCCCO2)CC1 1359160739 BVFUTTMENRXWES-LJQANCHMSA-N 431.378 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)Cc1nc(O)c2sccc2n1 1359189658 QQMIFTSTYFWVEC-UHFFFAOYSA-N 428.606 4.816 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCO[C@@H](C)C1 1359199785 HUTMBFKYDWNKSE-INIZCTEOSA-N 449.393 4.688 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@@H](C)C#N 1359200084 RLLRLKPGCBUTIU-HNNXBMFYSA-N 432.366 4.668 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cc(Cl)ccn1 1359285519 NHWDYWZSWKCCPN-UHFFFAOYSA-N 448.752 4.587 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(c2cccs2)CC1 1359339960 WKGHISGULTXFFI-UHFFFAOYSA-N 425.627 4.561 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1c(C)cccc1C 1458842598 CKOFHJJEKDZDKQ-IBGZPJMESA-N 435.593 4.908 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)cc1 1465385858 HJEORFGNAQCFLI-QFIPXVFZSA-N 432.524 4.796 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccccc3CN(C)Cc3ccco3)cc2n1 1467353533 LUIQKUNBVFPRFG-UHFFFAOYSA-N 429.524 4.769 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)NCC3(c4ccc(F)cc4Cl)CCCC3)C2)cc1 1469885693 IBCNETVLWIPGQT-UHFFFAOYSA-N 427.907 4.635 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)OC 1471126311 XETLXVUOQYUXNW-HXUWFJFHSA-N 440.927 4.611 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1sc(C(F)(F)F)cc1C(=O)OCC 1476700268 VUZHTOPFUGQMHD-UHFFFAOYSA-N 430.379 4.739 30 10 IJEE C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1477256914 GIWBWQNDJWZKAK-LIRRHRJNSA-N 436.408 4.817 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccccc1OCC 1477747788 ASHCDFGOLNOMEL-UHFFFAOYSA-N 435.337 4.927 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2Oc2ccc(OCCC)cc2)CC1 1477803547 UYZXIUDYTYIIMW-ZEQRLZLVSA-N 429.605 4.505 30 10 IJEE C#CCN(C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1478176998 WNLIQJPOXDCHRC-IRLDBZIGSA-N 427.589 4.792 30 10 IJEE C#CCN(C(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1)C(C)C 1478371344 QVYIXAJNQMOMEV-UHFFFAOYSA-N 445.357 4.590 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC)c1ccc(Cl)cc1F 1478899103 AUUHSATYOWMHJO-QFBILLFUSA-N 437.943 4.584 30 10 IJEE COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)C[C@@H](C)C#N)c(C(F)(F)F)c1 1504265367 FYKGCVAMIFUCRG-ZDUSSCGKSA-N 433.434 4.518 30 10 IJEE COc1ccccc1[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@@](C)(C#N)C1)OC(C)C 1504367334 ATDSWGLLRQMKSQ-DHLKQENFSA-N 439.604 4.782 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC1(C)C 1507532482 KZMWBZUOTIAVEL-UFYCRDLUSA-N 443.636 4.677 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507802746 CJBUHGYXGFNURH-KHHDVDEJSA-N 448.533 4.793 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1507836256 CPXOFVUYPJRAKJ-CZUORRHYSA-N 443.539 4.885 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC(C)(C)C1 1507837408 OMDFOMDXOCLSLU-UHFFFAOYSA-N 449.599 4.561 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1507874873 XLFYLVSNEZWFMA-UAFMIMERSA-N 432.971 4.891 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1507912931 MEZHNFQZDUANNX-XMSQKQJNSA-N 434.588 4.877 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1507919661 HARQADUGMBHAEJ-UWHLTILDSA-N 430.637 4.662 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1nc2cccc(Cl)c2n1C 1507928733 HWDPAYMKTJCWLL-LJQANCHMSA-N 442.995 4.901 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCc1scnc1C)C1CC1 1507988732 QDUOUZLPYCNIRR-UHFFFAOYSA-N 444.402 4.870 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1csc(C)c1 1508002782 MVSWIOYTJMISRQ-UHFFFAOYSA-N 432.597 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)O 1508006156 KFDVQWZPSIFFBH-MRXNPFEDSA-N 430.549 4.582 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccccc1F 1508060704 DHDIPWQQJVYQFF-IBGZPJMESA-N 443.567 4.744 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 1519432301 OUFLAYUGMDFUJM-UHFFFAOYSA-N 434.902 4.854 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 1524636252 BHIMNWLIFLFBKE-DEOSSOPVSA-N 433.939 4.966 30 10 IJEE C#C[C@@H](NC(=O)[C@]1(c2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1525037904 GADLBQIXCABWIO-DNRQZRRGSA-N 438.955 4.756 30 10 IJEE Cc1ccc(Br)cc1CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1526743160 HDDVDOJVPCBLSO-UHFFFAOYSA-N 429.705 4.650 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 1527931504 GEKXOBCLRHVNCJ-WIOPSUGQSA-N 438.543 4.739 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2O[C@H]2CCOC2)cc1F 1531188758 ARPHKRQJZVOUIF-FQEVSTJZSA-N 432.451 4.839 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCN(c2ccccc2F)C1 1536695208 UCJFEJIXNHPMNG-OAHLLOKOSA-N 435.312 4.768 30 10 IJEE CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1537703230 BHNHGGSZAZDROY-CRAIPNDOSA-N 441.984 4.942 30 10 IJEE C#CCN(C(=O)[C@@H](CC)Oc1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1538199562 VBKBINGWGFCVSQ-NHCUHLMSSA-N 442.353 4.901 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCC(C)CC1 1538977521 WQBSBWJZMBLIRV-QHCPKHFHSA-N 433.644 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1538984006 ZZNABXXYICFCRS-FKSLSLAPSA-N 426.630 4.793 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1539076667 UWPGXBYKFMCAGK-NRFANRHFSA-N 434.613 4.525 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCC[C@@H](C)C1 1539352172 SJUQKOSZBWKWQN-GOSISDBHSA-N 431.987 4.709 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCC1(C)C 1539542073 SCQKHDYRNLVDED-KSFYIVLOSA-N 444.421 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1539549731 QQFKDWKRXIDXPK-IATMXGELSA-N 436.600 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539617561 XGNHAVSIAWOWAO-SGNDLWITSA-N 433.600 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1539643995 CQUWDYIZHZQKBH-UWGQAIRJSA-N 432.515 4.586 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539691357 WSHZFNPCHPQXEK-QGZVFWFLSA-N 426.508 4.619 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCCCO1 1539728039 BUHNQKCYYNLRIC-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539855403 XDTSASYGTJBICX-BGYRXZFFSA-N 427.662 4.843 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1Cc1sccc1C 1540119585 FNNXXLUCOLJSOW-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc2c(n1)CCCC2 1540194546 SAPSWLHMSKKIPT-UHFFFAOYSA-N 437.975 4.559 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1cccs1 1540880898 SVHDMISFECUGFC-QFIPXVFZSA-N 438.597 4.873 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCCO2)C1 1540886459 DIOWKFUJHBOSRK-IAGOWNOFSA-N 437.371 4.602 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(N(C)C)CCCCC2)C1 1540887809 DYZIHJMDNGIPLG-LJQANCHMSA-N 444.023 4.644 30 10 IJEE C=C1CCC(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1542567992 GSEOUOLIVXHXNE-LJQANCHMSA-N 442.556 4.928 30 10 IJEE C=CC1(CC(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)CN(C(=O)OC(C)(C)C)C1 1543416423 GXAJOCOOKNSROO-UHFFFAOYSA-N 436.556 4.638 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CCC#N)CCOC 1546636876 BZIMOGNMNABZLV-PZJWPPBQSA-N 432.572 4.686 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)C1CCCC1 1547351555 HBEYIVUJJPVGMM-NHCUHLMSSA-N 434.632 4.954 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)c2cn[nH]c2c1 1558444501 NUJRWNWQSOQKRX-UHFFFAOYSA-N 427.386 4.585 30 10 IJEE C=CCN(CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1cc(Br)ccc1F 1559518521 WVBOQDQAIGWZDL-KRWDZBQOSA-N 433.365 4.632 30 10 IJEE C=CCOc1cccc(NS(=O)(=O)c2cc(Br)cc(Br)c2)c1 1561414551 ZEIAEOCFRPDWEN-UHFFFAOYSA-N 447.148 4.577 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccc(F)c(F)c1 1564597809 QSTQQDFFRFQBQI-LJQANCHMSA-N 442.915 4.528 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C 1569685499 KCTNIASTXOZNFE-XLIONFOSSA-N 435.996 4.627 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2)nc1 1584065888 PDARXSRDXUKVKI-FQEVSTJZSA-N 425.529 4.740 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1587706943 UQNJWKHDGARAIZ-PZJWPPBQSA-N 447.549 4.696 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(C)C1CCCC1 1587921716 GWZHQJMOTDOPOS-UHFFFAOYSA-N 428.005 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC2(CCCCC2)O1 1588281043 WPFJTHYWRNFULL-HXUWFJFHSA-N 444.526 4.888 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1nccs1 1589026258 DWXDOPMTWUFXKR-UHFFFAOYSA-N 438.409 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCC)C1 1589516131 WZMFKNPMJQVYOG-OPYAIIAOSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC[C@@H]1C 1589614757 FRAUASOWSRQDSJ-FUHWJXTLSA-N 433.394 4.783 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC2(CCCC2)C1 1589701328 XXWIAZXBTOFRDB-UHFFFAOYSA-N 427.980 4.598 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1593611348 RYJWUXZWPSIWJO-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)CCOC)CC1 1594070954 SQVWWHXNPVCINX-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1594102586 SPLDKAYPWIFQNH-NRFANRHFSA-N 425.596 4.532 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1594133612 AJRXSCKYKUYRNF-BOCITWAFSA-N 443.680 4.864 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](COC)C1 1594454879 IQQMTAAPMIAYEV-FXAWDEMLSA-N 448.995 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)OC1CCCC1 1594455595 STOWJTYIAGJVHI-UHFFFAOYSA-N 436.398 4.959 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1594687239 JKQIKBUVOWGSJS-VQTJNVASSA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCS1)C1CC1 1595021062 RNGQFAKWHHAJEV-HXUWFJFHSA-N 425.602 4.588 30 10 IJEE C=CCn1c(Cc2csc(C)n2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1595421479 JSUKTKFYMYPDRH-CYBMUJFWSA-N 444.402 4.706 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCO[C@@H]2C(C)C)C1 1595700080 KJYMZEFRDGOHST-HGHGUNKESA-N 448.970 4.580 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1595879533 XDJQEAUEPUVJDP-JOCHJYFZSA-N 442.629 4.832 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCc2sccc2C1 1595889930 CWEZTFKSJGXLAH-UHFFFAOYSA-N 432.565 4.691 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1596167717 LLLSPCSFUSEHRL-RUZDIDTESA-N 444.572 4.513 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](F)C2)nnc1-c1ccc(Cl)cc1Cl 1611069141 BIQKMPHWFFLIQV-KBPBESRZSA-N 443.375 4.927 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c1 1611459095 UIWMWTOTIFXHSL-UHFFFAOYSA-N 449.576 4.528 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)C[C@@H](C)O1 1614215666 ADPOEXRFVAOJIM-CTUHWIOQSA-N 444.583 4.655 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1 1618572992 JFORCDOJKXTCPD-OAHLLOKOSA-N 428.945 4.697 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 1623168901 BZQYMRSXYZYYAR-UHFFFAOYSA-N 429.495 4.722 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)CCCN1C(=O)OC(C)(C)C 1623872999 WQQCKPDIQUWEMO-JOCHJYFZSA-N 438.490 4.936 30 10 IJEE C#CCC1(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)CCCCC1 1626452045 YULFPAOEXGZPBD-PZJWPPBQSA-N 428.548 4.619 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1 1627291429 JQSPLMNDFAGSDH-MRXNPFEDSA-N 447.605 4.725 30 10 IJEE C#CCN(C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1632053993 ZHJGTHFDTJHYMN-QETWGEEDSA-N 425.573 4.545 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1635342391 DHUHRYUEJCUOQB-CYBMUJFWSA-N 438.380 4.818 30 10 IJEE C=CC1(CC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)CN(C(=O)OC(C)(C)C)C1 1638050439 WIEHWYRDLSHEBX-UHFFFAOYSA-N 435.515 4.707 30 10 IJEE COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN(C)[C@@H](C)CC#N)cc1 1642257758 CJRSNNUMLXUYLG-AFMDSPMNSA-N 440.547 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1649539297 KJKADTGEJISZGD-UHFFFAOYSA-N 431.588 4.735 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2nc3c(s2)CCC3)cc1OCC 1651534653 PPTKMJKJHQBWJN-UHFFFAOYSA-N 437.403 4.690 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@H](C)C3 1652492450 LXFSQQBOOWKFBG-OXJNMPFZSA-N 440.634 4.855 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1653251595 GEXUDFBYVQVXTP-MRXNPFEDSA-N 447.520 4.605 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN(CCC(F)(F)F)CC(F)(F)F 1654344477 DRGTXFZAWRZXLQ-GFCCVEGCSA-N 427.414 4.694 30 10 IJEE C=C(Cl)C[C@H](Nc1nc(CN(C)C)nc2scc(-c3ccccc3)c12)C(=O)OCC 1655759635 HNSKCBSAQSETPL-KRWDZBQOSA-N 444.988 4.906 30 10 IJEE C=CC[C@@H](CC)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1663061713 NPHSHXFMEKHMMW-XPWALMASSA-N 433.017 4.582 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1665791616 DSQLBQUUXLOLSE-DEOSSOPVSA-N 426.495 4.762 30 10 IJEE CCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3ccc(C#N)c(F)c3)cc2)cc1 1666440268 BWWZTMCHVVVETJ-UHFFFAOYSA-N 432.455 4.670 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1668101826 OEUYFFBYEBANEN-FQEVSTJZSA-N 430.612 4.807 30 10 IJEE C#CCN(C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)[C@H]1CCCc2ccccc21 1668653989 VNVXFPGLJDDODS-QFIPXVFZSA-N 427.589 4.744 30 10 IJEE C#CCN(C(=O)N[C@@H](CCC)c1ccc(F)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1670509995 RWWYXXDBNUTOMI-NRFANRHFSA-N 449.542 4.850 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1)[C@@H]1CCCO1 1673338040 YFFFKDCTYHHXCJ-MOPGFXCFSA-N 435.362 4.711 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 1673998064 YPWILEJBWJXMOC-ZRZAMGCNSA-N 433.552 4.877 30 10 IJEE C#C[C@H](CCC)NC(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1676571206 DQIKNTGLWGTKQU-TZIWHRDSSA-N 433.552 4.808 30 10 IJEE C#CCC1(NC(=O)NCC2(c3cccc(Br)c3)CCCCC2)CCOCC1 1679628802 WIDRVMGRBYZCQH-UHFFFAOYSA-N 433.390 4.523 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)CSc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1680625533 OYAOMAZQWCFPET-IBGZPJMESA-N 445.629 4.602 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1 1685479083 RSHPYEVRLUCMGR-HXUWFJFHSA-N 427.932 4.903 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C)c1ccc(Br)cc1 1686647883 ZDEDDSSJTFNNFO-KBXCAEBGSA-N 431.330 4.509 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCC(OC)CC1 1689838280 XCEGGSDZRKSCCK-MUYFXNHWSA-N 445.405 4.679 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC)(CC)C1 1690183170 ONGVZJNITHRLHT-UHFFFAOYSA-N 426.630 4.857 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC(F)C1 1690304450 CGPIVIGDCAQQGF-UHFFFAOYSA-N 443.386 4.546 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCC(F)(F)F)CC1 1690366304 WKLYAULOAXVWHQ-UHFFFAOYSA-N 432.288 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690434798 HLFMWHKZLIJDTJ-GOSISDBHSA-N 430.980 4.514 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1690451729 OATJCXAHDCGVMD-OAQYLSRUSA-N 430.556 4.932 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1690467671 FIRJGWXLIDQLMV-IBGZPJMESA-N 448.036 4.685 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCC1 1690500437 VPRAIIMALZERRW-UHFFFAOYSA-N 425.758 4.554 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1690500511 XRVFVWLNRAGGNH-XXBNENTESA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1CC1CC2(CCOCC2)C1 1690555994 KDTUJXYJSKJWSD-UHFFFAOYSA-N 438.616 4.885 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690629364 UBUXZEQLEYFLMC-FPOVZHCZSA-N 439.604 4.699 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](CCOC)C1 1690736115 TWJQGEGWBBRTCT-IBGZPJMESA-N 437.613 4.584 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(F)(F)C1 1690737238 FMWQDNIHCJICQI-UHFFFAOYSA-N 447.324 4.611 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1692346491 GOWQWXIQTPUZMR-PZJWPPBQSA-N 426.609 4.881 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)N2CCCCC2)CC(C)(C)C1 1693772007 AEKMMXPBYGTYHI-SFTDATJTSA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705510449 PYRWWHFQHOFAMB-TZIWHRDSSA-N 440.563 4.614 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 1705535213 FGYBBRFENLBEIM-HXUWFJFHSA-N 427.524 4.667 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCc1csc(CC)n1 1705676411 AGRVXJFQVRSMNQ-RUZDIDTESA-N 433.625 4.707 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@@H]1CCCC[C@H]1C 1705678500 DKBXXNVEXYWGTJ-DZNIXNCWSA-N 442.648 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(CC)Cc1ccc2c(c1)OCO2 1705693353 FOWGKIQILCQQTA-JUXOCIIHSA-N 426.561 4.528 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CC=CCC1 1705719630 FRZYUFSYSFSHEA-UHFFFAOYSA-N 437.632 4.819 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1705738210 PMARRDXAHNGTTK-VWLOTQADSA-N 447.627 4.934 30 10 IJEE C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705752090 IEHGNOVOSNZEGM-KRWDZBQOSA-N 427.980 4.973 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(=O)OC)C1 1705786602 TUOPOOFKJMFEJJ-PMACEKPBSA-N 440.588 4.637 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1705800307 UBQFUTDYRIGNGN-QUCCMNQESA-N 427.980 4.597 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1705811051 PHZKQWJVECWVKP-UHFFFAOYSA-N 444.461 4.547 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1705813712 QVXFINXOGLXSGN-XMMPIXPASA-N 428.577 4.712 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)OC 1705864615 HKEGDRUUTTUNFZ-KCZVDYSFSA-N 444.595 4.953 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1cccc(F)c1 1705866384 OPDKOZRFKUCEAX-LJQANCHMSA-N 426.561 4.808 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1705870888 PRACRIZEGJZYCJ-QHCPKHFHSA-N 442.567 4.815 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cc1 1705910098 RFRIFBLFDQBBEG-SANMLTNESA-N 449.599 4.538 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCC=CO1 1706743247 GJHVILYNGIBYAW-QUCCMNQESA-N 433.512 4.548 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1Cc1ccnc(OCc2ccccc2)c1 1706746439 AMDJFAHVBBUJLR-IBGZPJMESA-N 432.572 4.627 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C)s2)cc1 1707565025 DMQCSBOWUKIJAC-OAQYLSRUSA-N 427.574 4.739 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cccs1 1711008987 FQDVINJXOJEWPX-FQEVSTJZSA-N 434.613 4.808 30 10 IJEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)C(C)C 1712008458 HDEMDJROMMOCOH-DEOSSOPVSA-N 425.577 4.678 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1sc(C)nc1C 1722304069 UMKRKGMPDJGZCR-INIZCTEOSA-N 437.613 4.734 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC[C@@H]1CCO[C@H](C)C1 1722422768 QJQKHLVLNRWDKQ-IFMALSPDSA-N 438.591 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(OC)C1 1722496304 KIHNXKJLYUAEQE-DHJUGAMNSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1722532636 RVGHWNBGWCAFFX-FGZHOGPDSA-N 429.653 4.619 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCC1CC1 1722554311 DCNLBBPOPPRPEF-UHFFFAOYSA-N 438.016 4.772 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722597031 FAGXKXWTMONOPQ-SIKLNZKXSA-N 426.605 4.839 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSC[C@@H]1C 1722602891 CYINZZGOZGUCKK-SFHVURJKSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1Cc1cn2ccc(C)cc2n1 1722658906 LWQILWWQIIDYTK-UHFFFAOYSA-N 432.547 4.912 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(OC(C)(C)C)nc2)C1 1722713499 CDJVYBHMYOFZJS-NRFANRHFSA-N 447.583 4.655 30 10 IJEE Cc1ncsc1CCn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1 1724097640 AGXGYJLKPLYUPU-UHFFFAOYSA-N 426.977 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1740556002 QDSMSBAPCWPDLT-ZVZYQTTQSA-N 425.989 4.864 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1=CCCCC1 1740563731 VZPXRRWMIDFFBK-QUCCMNQESA-N 427.593 4.699 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1740720485 AFHXPTOZNFXMJW-UHFFFAOYSA-N 428.602 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(CCOc2ccccc2)n1Cc1ccc2c(n1)CCCC2 1740775692 CLMAHSMKBFVZLY-UHFFFAOYSA-N 431.584 4.624 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1740790521 SZTCKRFTYGSJJV-HXUWFJFHSA-N 438.597 4.819 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740861079 ACJRELQIVNSXIE-IBGZPJMESA-N 434.588 4.668 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1740864901 PUIOVVDSXJXAIV-AUSIDOKSSA-N 435.547 4.726 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](c1ccco1)N1CCCC1 1740892383 VLCKAXFSSDJIAK-WIYYLYMNSA-N 439.535 4.610 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C)cs1 1740919122 VKRVCLIFMFNAAH-UHFFFAOYSA-N 436.972 4.999 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1sccc1C 1740934585 KKCZBWUIKHZMRD-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(F)(F)F)C1 1740979588 ANILCVACAUUDGO-KRWDZBQOSA-N 428.886 4.646 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccccn1)c1cccnc1 1741311009 FCGCCBXDPYVKIT-DEOSSOPVSA-N 437.551 4.683 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(N(C)C)CCCC1 1748777559 QWKDKVWPTPWLNG-UHFFFAOYSA-N 437.588 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCSCC(C)C 1749054742 XXHRNWFYYGRGMZ-FDDCHVKYSA-N 430.593 4.939 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCOC1 1749122174 SOGOQGRQPHBERM-WPYKKVEZSA-N 438.616 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCc2cc(OC)ccc21 1749163542 MVGHTUUMSDVEIQ-QFIPXVFZSA-N 431.584 4.795 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(CC)C(C)C)CC1 1749293082 ABBJTVONLDQUIS-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1F 1749353810 BHOKLGSBKUFGOM-KRWDZBQOSA-N 436.535 4.864 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749354573 UHWAUDQDWNIFSY-YADHBBJMSA-N 437.632 4.917 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1c(C)noc1C 1749397498 XOIGWZZPJIFGGR-UHFFFAOYSA-N 431.544 4.728 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1749473906 IGHBDYXNYQTZCV-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=CCn1c([C@@H]2CCCCO2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1749627622 SLDQCLFHCLUEQS-NRFANRHFSA-N 425.508 4.569 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)CN(C)C)C1 1749701837 ZNJJPTMOXDVCEC-QFIPXVFZSA-N 439.648 4.612 30 10 IJEE N#Cc1ccc(CN(c2nnc(Cc3ccccn3)n2CCCC(F)(F)F)C2CC2)cc1 1750382083 BGBVDWFIGOWKLN-UHFFFAOYSA-N 440.473 4.647 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1CCC[C@H](C)C1 1760110773 HANYYWYKYGZPSH-VQTJNVASSA-N 446.599 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C(C)(C)C)cs1 1760124231 QCZGUMRIZFVYSH-HNNXBMFYSA-N 444.004 4.771 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC2CCCC2)CC1 1760145859 WOKAXZCFCMRYAG-LJQANCHMSA-N 440.563 4.899 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCCC)nc2)CC1 1760399403 LCNRMORGGUZEFP-UHFFFAOYSA-N 438.963 4.628 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2sccc2C)CC1 1760404150 UNFXJGKIENXLMN-UHFFFAOYSA-N 435.597 4.968 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC2)CC1 1760422176 JAPLVBBOAZAELX-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1760439557 KZCYBBCEXCYGKM-UHFFFAOYSA-N 442.032 4.872 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1760441680 QFMVDJLRQKURSG-HXUWFJFHSA-N 444.004 4.831 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C)C1 1760446193 JRTZRSHNYZNWDI-MRXNPFEDSA-N 433.394 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C 1760486687 WLWKYUWVWZJVEX-WMZHIEFXSA-N 430.618 4.715 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1760507263 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426.444 4.811 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2cccc(C)c2)cc1 1862515656 UEECOMTXGWPPNH-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(OCC)c1 1862532916 HTWBQLDBSGVAQX-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1OC 1862572342 COXFKWKSHHQSDE-HSZRJFAPSA-N 448.519 4.810 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)ccc1O 1862655161 ATHYPPRUWQHICU-QHCPKHFHSA-N 431.488 4.931 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)c1 1862663820 UMPQLVYXGHVYMP-HSZRJFAPSA-N 437.536 4.822 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862693891 VVFHJRDAEVHUGZ-HXPMCKFVSA-N 444.871 4.634 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(O)cc2)c1 1862702884 OGZANEDBCZAORN-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(F)c2)c1 1862703891 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4.776 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 1871871377 KBWCSKBLJALOJL-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871908968 PQDXFLGXZBDEES-JOCHJYFZSA-N 448.560 4.599 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872227650 OTWVIEFSFJUFEH-AWEZNQCLSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1872290363 KQHAQBXQPSYOQA-YKSBVNFPSA-N 442.625 4.858 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(OC)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872330062 FDSGRBZIFUNCNO-MBSDFSHPSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872344971 BHYPLUBXEWDLOO-NZQKXSOJSA-N 449.661 4.648 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872451290 YVKPDTFDKHOHIA-HSZRJFAPSA-N 444.597 4.803 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872471580 WJPZDDIYJRJURX-HSZRJFAPSA-N 428.598 4.850 30 10 IJEE Cc1sc([C@@H](C#N)C(=O)CN2CCC[C@@H](C)C2)nc1-c1ccc(Br)cc1 1872800240 PCLZJGZCAVVRGC-DYVFJYSZSA-N 432.387 4.789 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C/c1c(C)nn(C)c1C 1873500245 LUVAXHSGLHYULL-SRZZPIQSSA-N 447.406 4.518 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C(F)(F)F)c1)n2CC 1873655942 DZTIBFSLMQVTMZ-UHFFFAOYSA-N 429.446 4.901 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1OC 1874213049 RZDZNPSRQYAWQI-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccn2C)c1 1874308012 ASYLFGGIUYOXBH-WGOQTCKBSA-N 449.555 4.724 30 10 IJEE CCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)c1 1874448353 ZMBAXOQKPSXYGA-LSCMLXDISA-N 426.517 4.842 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccccc1F 1874494943 MITNAIBOBMNLTD-AFUMVMLFSA-N 437.544 4.860 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874528875 GEUIQVVLLLCIBC-FOKLQQMPSA-N 434.924 4.825 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1OC 1874572000 RCJKQLKGZDYFHV-OCKXMSAZSA-N 445.515 4.856 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)OCC(C)C 1874601915 KCXJVDIYQNWLSX-BQYQJAHWSA-N 447.871 4.731 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1nccs1 1874625722 SXJXPCYOYNPLOA-YCRREMRBSA-N 426.469 4.595 30 10 IJEE C=C(C)COc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC 1874639751 NLAJZESCPPNHCJ-CSKARUKUSA-N 428.481 4.581 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cnccn1 1875110685 WSYVPPWJXOYBQG-MDZDMXLPSA-N 434.879 4.982 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)CCCSC 1875147960 UXEFJWFRQGTBRJ-RMKNXTFCSA-N 442.533 4.801 30 10 IJEE COc1ccc2c(Cl)c(C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)sc2c1 1890354791 HIALJICBQLJKES-UHFFFAOYSA-N 440.956 4.571 30 10 IJEE Cc1cc(C)c2nc(C)cc(C(=O)NCC#CCOc3cccc(C(F)(F)F)c3)c2c1 1891419755 CEBQGCVJXJVHQU-UHFFFAOYSA-N 426.438 4.991 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(OCCCC)cc3)ccc21 1891468762 VQHHZQBLJZSONB-UHFFFAOYSA-N 436.552 4.984 30 10 IJEE C[C@@H](C(=O)Nc1cc(Br)c(Br)c(Br)c1)[C@@H](C)S 1946433515 XXAMXZPEYFPDEK-PHDIDXHHSA-N 446.002 4.867 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 1950026360 OAXYQWZCJBXMCI-FMKFIRIRSA-N 431.508 4.859 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1950333485 UIWSUCDFNKWRDU-OPXMRZJTSA-N 427.589 4.739 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950375298 RGRXAILJDFLECY-PXDATVDWSA-N 429.605 4.843 30 10 IJEE C=CCCCCNc1cc(I)cc(I)c1 1975334654 DCIPIBMGEGDNCQ-UHFFFAOYSA-N 427.067 4.664 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(C)cc1Br 2029266132 BWVQFRGSGYUQCS-OAHLLOKOSA-N 430.412 4.963 30 10 IJEE CCOc1ccc([C@@H](CC)n2nc(C(C)C)c(C=NO)c2I)cc1 2080079767 LMLLSHUYNVIBRH-MRXNPFEDSA-N 441.313 4.817 30 10 IJEE Cc1cc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2116068933 KMWFPCHBCCOEOW-FYYLOGMGSA-N 436.405 4.509 30 10 IJEE C[C@H]1CCN(c2cc(Br)c(C#N)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 2118198923 MFMRMRYWAFNXCH-JSGCOSHPSA-N 426.330 4.589 30 10 IJEE CCCCCC#CC[C@H](NN)c1ccc(I)c(Br)c1 2139054512 YVBCNQAXHBGXAK-HNNXBMFYSA-N 435.147 4.532 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 2159128334 QRKXZBVYTKAORN-HZPDHXFCSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)cnc2C#N)C2(CCCCC2)C1 2174715686 NSRNRWXZKCWHGF-HNNXBMFYSA-N 435.366 4.522 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H]1CN(c1cc(Br)cc(F)c1C#N)C2 2174823351 ZXFWVYMJRFMINC-ZUOKHONESA-N 438.341 4.734 30 10 IJEE N#Cc1cc(F)c(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Br 2186708520 RKFXZDKJTPUPCS-SFHVURJKSA-N 442.254 4.713 30 10 IJEE CCCc1ccc(C#C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223330205 SVFIGTYAPIOVHP-BUUDZMLXSA-N 437.580 4.850 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H](N)C#Cc2ccccc2Br)cs1 2227493300 MPHXTGROSNQNEI-DOMZBBRYSA-N 436.375 4.543 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2235720909 CYMIIWPEADZFGR-NLWGTHIKSA-N 435.406 4.862 30 10 IJEE C=CCCC1([C@@H](N)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266304313 BZXCAZWNIUEQJZ-KRWDZBQOSA-N 425.367 4.661 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274206739 JEWZCGFVEHHQIS-INIZCTEOSA-N 426.330 4.542 30 10 IJEE O[C@@H](C#Cc1ccccc1Cl)c1ccc(Br)cc1I 2277836892 FKJZRNXJBORXJS-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2cc3ccccc3o2)[C@@H]1c1ccc(C(C)(C)C)cc1 2296110768 YISNYMCMCVRRRH-QHCPKHFHSA-N 446.547 4.714 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C#Cc1cccc(Br)c1 2296222503 SJTYPMHLVRXYDN-PGRDOPGGSA-N 436.390 4.835 30 10 IJEE COc1cc([C@@H](O)C#Cc2ccc(Br)cc2)ccc1NC(=O)OC(C)(C)C 2296277994 ZAONEGZBIUBCMS-SFHVURJKSA-N 432.314 4.890 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 2296305413 TYCFTNQURIFLHJ-COFLGROHSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCC1CC(NC(=O)OC(C)(C)C)C1 2296309965 CNTACIZCZPJIIW-SYYJFZTOSA-N 435.406 4.862 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 2296871112 OYKQJGSVZXTACE-UHFFFAOYSA-N 430.840 4.863 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2306623306 ODBZBHPKLBJDAJ-OHUGHZGNSA-N 428.573 4.554 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1ccc(Cl)c(Cl)c1 2321121840 WDPVDMKGQRNGFX-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)c(OC)c1 2322051961 NFEGBJZKHWNMRH-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)C2)cc1OC 2322424129 QYAFYCDBHCMJFA-UHFFFAOYSA-N 447.487 4.882 30 10 IJEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccn2)C3=O)cc1OC 2323693740 SBXBVJOPFCFSCJ-UHFFFAOYSA-N 443.455 4.724 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1cccs1 2325893789 KQIJSYJWMGKUIE-UHFFFAOYSA-N 430.599 4.916 30 10 IJEE CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC)c(Br)c1 2326216789 VIVBRIAHDQUCHA-UHFFFAOYSA-N 431.359 4.786 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(OC)c(O)c1 2327296630 RKPVENXWZLWIDU-UHFFFAOYSA-N 438.553 4.657 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 2330627752 ORQLJPVBNZHWBZ-UHFFFAOYSA-N 427.533 4.867 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(F)cc1 2331646814 OOYIIGFVHXSCML-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2334271182 RVFYUQVOOALAQZ-VJRSKZRISA-N 438.421 4.513 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345711871 FBNYGNOOGAIMMM-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362711039 WJPKNORWKVWTQL-MOPGFXCFSA-N 437.378 4.558 30 10 IJEE Cc1cc(CNC[C@H]2CCCCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369697389 OEJLXTYPVBJKNM-RUZDIDTESA-N 448.460 4.686 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCCCC)c(Br)c1 14041203 PIWJQQDILZPZEC-UHFFFAOYSA-N 431.330 4.796 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1ccc(OC)cc1C 20290493 HMPSIEVWLRYPTD-UHFFFAOYSA-N 436.581 4.687 30 10 IJEE N#Cc1ccccc1NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 20829655 GNIWJDSHWAZKFP-UHFFFAOYSA-N 439.544 4.655 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)N(c3ccccc3)c3ccccc3)n[nH]2)o1 21081082 NPUBAIURKGNBOK-LFVJCYFKSA-N 446.536 4.999 30 10 IJEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)c(OC)c1 21219425 VDTPUHZDKAMFFR-AVRDEDQJSA-N 449.547 4.743 30 10 IJEE Cc1cccc(N/C(=N\C(=O)c2cccc(N(C)C)c2)NCCc2c[nH]c3ccccc23)c1 32943043 RAXDESPWEOSNDR-UHFFFAOYSA-N 439.563 4.983 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)c(OC)c1 34954717 UWMHXTVOFRYTSG-UUILKARUSA-N 436.435 4.967 30 10 IJEE C=CCOc1ccc([C@@H]2NC(=O)c3oc4cc(C)c(Cl)cc4c(=O)c32)cc1OCC 38702989 OBALGAGDUSWNFO-FQEVSTJZSA-N 425.868 4.551 30 10 IJEE C=CCc1ccccc1OCCn1c(CNC(=O)c2ccccc2OC)nc2ccccc21 40277605 BMBZTEFSGPARRF-UHFFFAOYSA-N 441.531 4.782 30 10 IJEE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/Nc2ccccc2)CCC3)cc1OC 40824146 TXPWAJQWHWKQAK-ZTKZIYFRSA-N 447.535 4.730 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4)cc(C)c3C2=O)c(OC)c1OC 41251213 VAPSUFQHLUOWIW-BKUYFWCQSA-N 446.455 4.856 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 62889321 RLVURHAUNVTMLC-UHFFFAOYSA-N 428.448 4.935 30 10 IJEE CC[C@H](C)[C@@H]1C(=O)/C(=C(/O)[C@@H]2[C@@H]([C@]3(C)O[C@H]3C)C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@@H]23)C(=O)N1C 102216246 NPWKEUKXVOMELT-OHDDQNCOSA-N 429.601 4.532 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(CC)cc2)cc1 102519973 ZAIQTVAWLOBDIU-RKKARLDVSA-N 432.476 4.570 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102606243 SBHDJGXRNFMJOT-VFJWVMJUSA-N 446.890 4.925 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(O)c(OCC)c1 169974477 YCFCMNBOKWKGOP-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccs1)c1ccc(Cl)cc1 169983437 XQPMUVHKQPWQKY-IBGZPJMESA-N 439.876 4.913 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2ccncc2)cc1 170022657 LGCWVWNWOILVNR-NRFANRHFSA-N 434.879 4.786 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2)cc1 170029190 ZWJMICDCGZEVNN-FQEVSTJZSA-N 434.517 4.942 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2C)c1 170086488 ZXDXQPLTOXJIIV-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@H]2c2ccco2)c1 170098897 GBPSIJZGCTXQAB-NRFANRHFSA-N 443.459 4.564 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(OC)cc1 170116219 ZNIIWQMPFLVHLG-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)c1 170200083 RUDDHSRHHNMPJO-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC)cc1 170215052 HNGKEQAAEOBMLI-XMMPIXPASA-N 445.515 4.853 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)c(OC)c1 170286565 WKPYPTDONKPBNC-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302325 GAPJSYQBHCFFJW-HSZRJFAPSA-N 445.471 4.759 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)o2)c1 170310442 MTZBTEXBTWAAEG-JOCHJYFZSA-N 441.524 4.770 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(C)c2)c1 170344047 SEZKAMGIIKFEGJ-QHCPKHFHSA-N 441.483 4.955 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(C)c2)cc1OC 170363053 FATMVSBSTNKFAV-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)o1 170401486 LLLRSJYBUIRRJR-SFHVURJKSA-N 444.365 4.665 30 10 IJEE C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(O)cc1 299804151 CUBFUIFHXXSWKP-YALZWYRPSA-N 425.535 4.561 30 10 IJEE N#Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)o1 427984806 YUWHYTGCZFTWEO-UHFFFAOYSA-N 436.276 4.511 30 10 IJEE Cc1nn(C)c(NC(=O)NCC2CCC(C#N)CC2)c1-c1ccc(Br)cc1 441644746 LNMPXQOEPGJQPR-UHFFFAOYSA-N 430.350 4.610 30 10 IJEE C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1ccc(Cl)c(Cl)c1 483527089 FIRIZUZAXDCTJT-NEPJUHHUSA-N 426.325 4.562 30 10 IJEE C[C@H](N[C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 487910018 GIGYIEYGQRWJKE-CVEARBPZSA-N 432.549 4.974 30 10 IJEE CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1 503402905 QXHJRUVMHVTIIM-SANMLTNESA-N 440.584 4.568 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3C[C@@H]12 504463671 YNCPTBSBAATVIL-WRDBPHBTSA-N 429.004 4.776 30 10 IJEE biogenic C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 508835418 ZRKAPDUHGVQYFQ-VRUIKYSZSA-N 449.643 4.800 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 508905980 CCHWFNDGJSZOIE-GAJHUEQPSA-N 431.515 4.642 30 10 IJEE O=C(c1ccnc(OCC(F)(F)F)c1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 512387761 VTGJFQDJDAKHQU-KRWDZBQOSA-N 436.327 4.752 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cc(OC)ccc2OC)cc1 526517044 SFAIURTURDYALS-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(O)c(Cl)c1 526827792 IJMKZYDWXWFZBL-FMCGGJTJSA-N 444.944 4.551 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCO1 549607960 MCAHHPOJQAWHQV-OAQYLSRUSA-N 440.551 4.514 30 10 IJEE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 617599885 WNUIVYHDQRVBSM-HXUWFJFHSA-N 439.563 4.520 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(c2nc(-c3ccccc3)no2)CC1 670197215 CLTFFPAEOZUNPO-UHFFFAOYSA-N 446.580 4.941 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698883147 GLPCMVOLZSGPIB-DEOSSOPVSA-N 439.487 4.872 30 10 IJEE COc1ccc(CC2(C=O)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1Br 712727463 PVUBIBQIVDNVRJ-GWTOYCKXSA-N 438.362 4.747 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)cc1OC 737600363 QYWDGMDMZJDDTE-PUJDGOIQSA-N 436.552 4.521 30 10 IJEE CC(C)(C)OC(=O)c1ccc(C=Nn2c(S)nnc2SCc2ccccc2)cc1 764901082 RXFYHTTVPDTWLO-UHFFFAOYSA-N 426.567 4.697 30 10 IJEE N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)s1 771659612 AMHPFVIUVBTSQE-IBGZPJMESA-N 428.460 4.597 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2CCC(c3nc4cccc(C)c4o3)CC2)c1=S 780504954 YLSHCHCUZUGHBG-UHFFFAOYSA-N 446.580 4.949 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 801637518 FSHJVKYKDLHBRI-LJQANCHMSA-N 425.357 4.849 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1 1124874689 BXUBDRCNLIMLQY-XMMPIXPASA-N 443.572 4.513 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)c1 1128566237 HEEDWFDRQSRKFO-UHFFFAOYSA-N 443.278 4.530 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)CCN3C(=O)CCc4cc(F)ccc43)c2C#N)CC[C@H]1C 1129473624 BMCXGPCXEDKEPP-KGLIPLIRSA-N 425.529 4.753 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)c1 1129684575 DRIRZZRHKUTEAH-UHFFFAOYSA-N 426.270 4.757 30 10 IJEE COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1C#N 1132759711 DEYMTLYIRVWLEK-OAQYLSRUSA-N 433.895 4.720 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)cc1 1136611808 DEMMVYIVPHACBS-PWRODBHTSA-N 425.326 4.680 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F 1137857660 XEIABZJNCHJUNY-HZPDHXFCSA-N 434.886 4.702 30 10 IJEE Cc1cc(C)n(-c2ccc(CNC(=O)[C@H](C#N)CCc3ccccc3)c(C(F)(F)F)c2)n1 1142423665 CRIFTUOXOLRRPN-IBGZPJMESA-N 440.469 4.897 30 10 IJEE Cc1ccc(Cn2c(SCC(=O)c3cccc(C#N)c3)nc3ccccc3c2=O)cc1 1164453271 CLQORBGKJXVWEC-UHFFFAOYSA-N 425.513 4.600 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)sc2ccc(C#N)cc12 1211461522 HBVWKWHGCQALJJ-UYAOXDASSA-N 444.553 4.761 30 10 IJEE Cc1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)ccc1N1CCCC1=O 1214965120 FTZUFDGYALERDU-UHFFFAOYSA-N 427.464 4.825 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)cc(Br)c1)c1ccc(F)cc1 1219595401 ZNKQFQVVFNNPOD-HNNXBMFYSA-N 426.083 4.847 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccccc1)N(CC)CC)c1ccc(Br)cc1 1221086099 OHFROSUHEKNCLD-LEWJYISDSA-N 428.374 4.506 30 10 IJEE C=CCC[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)c1ccccc1 1224274118 DKLOFGAAGGNLJA-LJQANCHMSA-N 430.346 4.784 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 1227996207 BXLABSJWSQPKEB-UYAOXDASSA-N 436.339 4.597 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1228086416 HOTWJEWYIIKTIQ-FCHUYYIVSA-N 440.588 4.531 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCOCC12CCCC2 1251614769 VBMILCMTQXCHRN-SFHVURJKSA-N 425.342 4.635 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C[C@@H]1CCCCO1 1286343654 LPUVCBFFMWHYAD-NRFANRHFSA-N 434.540 4.536 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1cccs1 1286450545 DTLTUEOAQMCLGX-OPAMFIHVSA-N 444.988 4.500 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1286519926 PDMXZTKAGIXPGQ-WIYYLYMNSA-N 431.437 4.887 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1286623400 HLNGUQFVQJEAME-GJZGRUSLSA-N 437.769 4.561 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C)CCOCC2)CC1 1286656663 PLMGCUBBYQSKJU-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)[C@@H](C)CC)C1CC1 1286734726 FYYHISDGFVKFSJ-BTYIYWSLSA-N 433.394 4.660 30 10 IJEE C=CCOc1ccc(Cn2c(N(CCOC)[C@H]3CC[C@@H](C)C3)nnc2C(C)(C)C)cc1 1286796364 JYQXATRETVRRRP-CTNGQTDRSA-N 426.605 4.830 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC(OC(C)(C)C)CC3)nnc2C(C)(C)C)cc1 1286797430 XCIRAMBMSXLIHF-UHFFFAOYSA-N 426.605 4.973 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1286797980 FNSCYRJHXQXRHB-TUNNFDKTSA-N 442.629 4.853 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H]1CCO[C@@H](C)C1 1286960034 BWUXGGONXPYDKO-ZSYWTGECSA-N 441.645 4.932 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](F)c1ccc(Br)cc1 1300299225 MJRYKMBKGBPMDT-CRAIPNDOSA-N 442.336 4.580 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C2(CCC2)C1 1300341012 BOXOENRGOQIHJB-KRWDZBQOSA-N 444.421 4.866 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1300421545 JXJFNAZCSLUINT-LEWJYISDSA-N 426.630 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC=CCC1 1300569384 JDCDZUORZJEQBO-NRFANRHFSA-N 432.568 4.560 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2c[nH]c3c(C)cccc23)CC1 1301107892 HOPNABJGYLNABS-UHFFFAOYSA-N 448.615 4.631 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2c(C)coc2C)CC1 1301109493 JULCSMNOIQRCHW-UHFFFAOYSA-N 444.377 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301155305 LREMXHIJCXFKHK-JOCHJYFZSA-N 435.547 4.583 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1301166044 ORLCWRXXXVTZRF-RLWLMLJZSA-N 446.599 4.736 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1301176476 BEPSVAXDJLGEMZ-FQEVSTJZSA-N 448.340 4.514 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1301218366 NPIXGVUDAQQTRM-MRXNPFEDSA-N 433.478 4.940 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301262814 ZSVHECSHNMSVQT-KZNAEPCWSA-N 444.542 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1N(C)CCCC1(C)C 1301280489 NDEAPQIGOTYFHW-IBGZPJMESA-N 446.437 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H](C)c1c(C)noc1C 1301359193 GRJFYXUCLBNCMM-INIZCTEOSA-N 436.585 4.946 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1301360184 WVVZVRBMKYRRTQ-QFIPXVFZSA-N 444.988 4.658 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1 1302118994 GFHCTWLEHPJVAZ-GGAORHGYSA-N 427.637 4.982 30 10 IJEE CCc1ccc2c(c1)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)CC2 1308173042 BJXUUSUEHMQJKX-UHFFFAOYSA-N 444.554 4.723 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)cc1 1310177783 IRQTXOZXROPVHR-UHFFFAOYSA-N 444.491 4.651 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cc2n1 1311237145 BIVNFPLSRJWIKM-HXUWFJFHSA-N 441.329 4.590 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1311434988 DSKVWVOLTZTTTL-QHCPKHFHSA-N 447.604 4.912 30 10 IJEE C#CCOc1ccc(CNC(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)cc1 1312735955 GSEYPBFJJOLLFS-UHFFFAOYSA-N 432.442 4.518 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 1313024645 OCRXMZBXBZYWFB-UHFFFAOYSA-N 447.373 4.645 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1 1352429530 LVVXHWRQMQAEDQ-UHFFFAOYSA-N 435.936 4.759 30 10 IJEE O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccn(-c2ccccc2C(F)(F)F)n1 1353582313 COKGTMUHBPWISD-UHFFFAOYSA-N 431.311 4.979 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)Cc2ccccc2Br)cc1OC 1356058051 IOKGCXQPDMEZIF-UILAEWCASA-N 430.342 4.783 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 1357803850 OYFCBDZDOQAMTQ-FQEVSTJZSA-N 448.332 4.974 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCNc1ncc(Cl)cc1Cl 1358876052 BBLPPCGPZJSRQQ-CYBMUJFWSA-N 449.773 4.870 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CCC 1358912798 YSRHUSJEPUHVHF-VQTJNVASSA-N 431.625 4.821 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCSC1 1358938866 KUWQDSYJDQOCAA-ZWKOTPCHSA-N 433.021 4.901 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCc1cc(C(F)(F)F)ccn1 1359002871 PTKCTIVKOSZSLC-UHFFFAOYSA-N 433.865 4.715 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1359004394 VBXNSPDLFCHSRS-DENIHFKCSA-N 433.383 4.917 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1359048820 BZDADEZAXGISDR-QGZVFWFLSA-N 444.004 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(N(C)c3ccccc3)CC2)nnc1C(C)(C)C 1359105027 IZDYUOPZTOPKBB-NFBKMPQASA-N 437.632 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCn2cc(C)nc21 1359116109 YAESRIIEAPPWCB-OAQYLSRUSA-N 434.588 4.650 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1359130803 WQSIHHXMSXNSAX-AUSIDOKSSA-N 433.556 4.529 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](OCC2CC2)C1 1359155714 HLINWFMRWVEPNU-HXUWFJFHSA-N 430.980 4.567 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359198229 LMTHBHRNJBSIEI-SVFBPWRDSA-N 427.568 4.586 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1359208705 ROUACMUUXQBKOQ-PMACEKPBSA-N 427.568 4.588 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCCS1 1359233553 JHUPDRYSGOFVFM-CQSZACIVSA-N 425.371 4.755 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCCn1nc(C)cc1C 1359257694 SGRVSEUMPJXJSK-UHFFFAOYSA-N 430.556 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CCN1CCc2sccc2C1 1359268561 UTKYERMTGMNAIT-UHFFFAOYSA-N 433.625 4.806 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H](O)C1 1359276227 WFPOCRZNXBQFFB-GGAORHGYSA-N 436.625 4.717 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 1434917687 DOSIBJWJFZHPSN-UHFFFAOYSA-N 435.531 4.952 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)c2)cc1 1435696050 BDVIDORIRYQZJG-HXUWFJFHSA-N 449.913 4.938 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1OC 1436548443 JJJHPFTYZYIGGS-RNYZQXAPSA-N 434.536 4.668 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 1459920039 LJQKEVCVIRVQPS-DEOSSOPVSA-N 430.935 4.863 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1OC 1462351311 SBVXQVCBRAWMHD-QHCPKHFHSA-N 431.960 4.533 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccc1 1462812996 DGMNTZKYHIYXIL-KRWDZBQOSA-N 425.323 4.526 30 10 IJEE C[C@H]1CCCCN1Cc1ccc(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 1466153648 GISSQUBGPQXDEH-SFHVURJKSA-N 446.530 4.579 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc(Cl)ccc1OC 1466816678 KNFGYGCGUJAYDX-UHFFFAOYSA-N 425.710 4.998 30 10 IJEE CC[C@H](c1ccc(Br)cc1)N1CCN(c2nc(Cl)c(C#N)s2)CC1 1472689284 GUMTYARAIVXBSE-CQSZACIVSA-N 425.783 4.704 30 10 IJEE N#Cc1cccc(OC2CCN(Cc3cccc(Br)c3OC(F)F)CC2)c1 1473154841 CBPPRCCIJAZTJW-UHFFFAOYSA-N 437.284 4.966 30 10 IJEE CC[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)Cc1cccc(Br)c1 1474988601 HDIQKPMHKZVPPB-ZDUSSCGKSA-N 441.778 4.521 30 10 IJEE C[C@](O)(CNC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(F)cc1F 1476533096 HXJXFCLZXMCQEE-KRWDZBQOSA-N 440.315 4.614 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C#N)CC1 1494869379 DZYOYIBTZISEES-XDHUDOTRSA-N 441.645 4.813 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1507556397 IEWGUVLPDYBQGY-ZDXQCDESSA-N 436.600 4.844 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(COC(C)(C)C)on1 1507681658 ACCYQYNIFVQOCQ-UHFFFAOYSA-N 445.926 4.549 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507682240 KXDFRZBLWQUCCC-SFTDATJTSA-N 433.600 4.909 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](CCOC)C1 1507749350 USFXPVXSMLEECN-GOSISDBHSA-N 444.670 4.505 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507838536 CYISLCXLLJQNEF-HALDLXJZSA-N 437.407 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507877163 BUBDREIMALSQJV-VFNWGFHPSA-N 449.368 4.554 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1507925932 LHVVZUJBBGCHQR-UHFFFAOYSA-N 448.962 4.567 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1507943786 HJMWVNAZVALSER-GOSISDBHSA-N 429.996 4.553 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](F)c1ccc(Br)cc1)C1CC1 1507993065 ACUCSGPINNRFKX-QGZVFWFLSA-N 430.325 4.901 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507998685 IFHOZEYNCWOGMC-KZTDQWPFSA-N 449.599 4.788 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(Cl)c(F)c1 1508049705 GDMLZJPQZDLZRO-UHFFFAOYSA-N 438.732 4.661 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1508050438 FCAFTWLNYDFGGI-GOEBONIOSA-N 437.357 4.674 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2Nc2cnn([C@@H]3CC3(F)F)c2)cc1 1508104051 JCDLSGXPGVSMTG-LJQANCHMSA-N 428.487 4.610 30 10 IJEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)CCO1 1514383312 ATWHOBQGFZDQNJ-NRFANRHFSA-N 425.577 4.560 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc1 1515902891 RCNUFVFHGYKUSD-QGZVFWFLSA-N 446.638 4.958 30 10 IJEE C#CC[C@]1(C(=O)NCCOc2ccccc2-c2ccccc2)CCCN1C(=O)OC(C)(C)C 1519045293 JAXHJOZOQQGULL-HHHXNRCGSA-N 448.563 4.642 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(Br)c3cccnc23)c(OC)c1 1519455152 FYOPHNPTIWJZGC-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE C#Cc1ccc(C(=O)Nc2nc3c(Br)cc(OC(F)(F)F)cc3s2)cn1 1520125923 GWGUFEWJXFFBLT-UHFFFAOYSA-N 442.216 4.586 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC2(Cc3ccccc3)CCCC2)nnc1-c1ccco1 1521571229 BMEUMXFTNMAJRR-UHFFFAOYSA-N 436.581 4.878 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 1526208514 HSAAZKHTUKPGGA-IIBYNOLFSA-N 426.358 4.677 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc(Cl)c(Cl)c1 1530230206 UIERQVQDMSAAMA-MRXNPFEDSA-N 444.336 4.845 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC23CC3)c1 1534910879 GACPAHMYDXLPPB-NRFANRHFSA-N 444.984 4.784 30 10 IJEE CC[C@@]1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)OCCc2ccccc21 1535048390 DCWPPNBIOMUSOG-MHZLTWQESA-N 426.516 4.745 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)cc1 1537417115 YHOYWLYBLLHKAS-PMACEKPBSA-N 427.522 4.719 30 10 IJEE C#CCN(C(=O)[C@H](CC)Oc1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1538199565 VBKBINGWGFCVSQ-SFTDATJTSA-N 442.353 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1539615496 JKIBAVMECUQANT-LWSSLDFYSA-N 438.616 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC1(C)C 1539623579 MQHPALBCWIMIFD-UZLBHIALSA-N 430.980 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(O)CCCCC2)CC1 1539835697 DJHYTPWXGXNJQZ-UHFFFAOYSA-N 445.405 4.868 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)CN(C)C)CC1 1539896015 FBVFSXYNXORSAR-UHFFFAOYSA-N 443.661 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC(C)(C)C1 1539905558 CNLDDDAFDWBUDE-UHFFFAOYSA-N 430.618 4.577 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1 1539975009 YQBFOVXSNGVMEV-NRFANRHFSA-N 425.602 4.663 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C2CCC1(C)CC2 1540006097 QFSOVCITRYLDPL-UHFFFAOYSA-N 429.609 4.880 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCOC(C)(C)C)C1CC1 1540099058 QEMQUVYFGLAGOL-UHFFFAOYSA-N 425.396 4.739 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1sccc1C 1540186739 GSWCKSJDWULJEM-LJQANCHMSA-N 426.586 4.613 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1540186914 ILQWBBDLPLNLRZ-NFBKMPQASA-N 426.605 4.900 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1540922436 ODRXXHYDWCHXCS-PMACEKPBSA-N 444.670 4.661 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1ccc(F)c(Cl)c1 1541512953 BKVSJXHHIHWFFE-UHFFFAOYSA-N 426.927 4.947 30 10 IJEE C[C@H]1CCC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)C1 1543898733 BGGCBFXXHMYZLQ-FXAWDEMLSA-N 448.537 4.716 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C 1556564034 BQKZFCUMRZQCKH-JOCHJYFZSA-N 440.588 4.943 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 1557705834 KYVMESQJTSGCQS-HXUWFJFHSA-N 437.536 4.665 30 10 IJEE C#CCN(c1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1CCOc2ccc(Br)cc21 1559108032 XPWRHPANJKAXSY-QGZVFWFLSA-N 431.286 4.719 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C)[C@H]1CCCc2ccccc21 1562319109 VSFWAPFZKUYKQD-DEOSSOPVSA-N 447.604 4.729 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccc(-c3csc(C(F)(F)F)n3)cc1)C2 1562739409 CWHRJDJAQOGOMP-UHFFFAOYSA-N 449.483 4.934 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](Cc2nc(C)cs2)C1)c1ccc(Br)cc1 1565000570 ZVOHPLPDJDWWNG-MAUKXSAKSA-N 432.387 4.553 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1565803572 LQDKBDBKILRXGA-PUHATCMVSA-N 443.632 4.748 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1Br 1569508616 FSEJZLAJSSMGMZ-MRXNPFEDSA-N 427.339 4.646 30 10 IJEE COC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c2ncccc2c1 1585185308 FLZMUFBMBMPZAL-UHFFFAOYSA-N 437.455 4.724 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)c1ccccc1 1586027908 TVECGEWIBMYSBW-KLPRIGBJSA-N 425.550 4.752 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1587592609 DYWZXVHCIJSFSF-IBGZPJMESA-N 449.599 4.533 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1587883645 IBHJESHDNQNQSZ-XMMPIXPASA-N 449.643 4.527 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@H](C)C1 1588089646 MARPXUUXOOBUMA-REWPJTCUSA-N 425.580 4.862 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1CC 1588189093 DCRQVQCQOPMVLM-AZUAARDMSA-N 439.401 4.997 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)SC 1588198318 ORNQEUYGPHTRLT-UHFFFAOYSA-N 448.592 4.722 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1588550771 XOIIZAPAICZNHJ-NHCUHLMSSA-N 437.607 4.835 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1csc(CC)n1 1589026099 BKSPZPQEKIKPHZ-UHFFFAOYSA-N 425.627 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CCN(CC)C(=O)OC(C)(C)C 1589608062 BDVVNOJYELVGRY-UHFFFAOYSA-N 443.592 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1ccsc1)N(C)C 1589609431 XWBLCPAZUVLTCB-HXUWFJFHSA-N 440.573 4.620 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1594035416 IQADGGIJLSZNGR-NVXWUHKLSA-N 449.368 4.554 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2c(CC)noc2C)CC1 1594194380 VUSVDQJDSRTJTJ-KRWDZBQOSA-N 439.535 4.867 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](COC)C1 1594454882 IQQMTAAPMIAYEV-YLJYHZDGSA-N 448.995 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1594511070 KABRWKCOOSAGBR-MJGOQNOKSA-N 431.625 4.572 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 1594552101 HDURZRWDTQJFQZ-VMYYHUPOSA-N 438.616 4.844 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](CC)C1 1594572539 DUHRQUNGCJGLCR-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]2CCC[C@@H]21 1594793023 DSLNXDYQTAWUNF-XLIONFOSSA-N 430.980 4.969 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(C=C)cc1 1595014145 SKNKECYRONOLJA-OYRHEFFESA-N 437.588 4.557 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@@]1(C)OCCc2sccc21 1595133819 NBWQTGJANVETBH-HSZRJFAPSA-N 426.561 4.722 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(CCOC)CCCC2)C1 1595680308 IOSUBHQZFCXCBH-NRFANRHFSA-N 445.007 4.977 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1595838112 LGDOVRLKFWQJCG-UHFFFAOYSA-N 437.654 4.547 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3cccc(Br)c3[nH]2)cc1OC 1597549454 PZBRNMMZVVBRKM-CSKARUKUSA-N 428.286 4.551 30 10 IJEE C#CCN1CCC(Nc2ncnc3scc(-c4ccc(Br)cc4)c23)CC1 1612939447 DRLPOVQKLCLZAD-UHFFFAOYSA-N 427.371 4.630 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N/c1ccccc1C(=O)O 1614234423 MLMAJTMXYIYJSJ-TWGQILOBSA-N 438.505 4.582 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1619486528 BVCVFVLYOSCHTI-IEBWSBKVSA-N 441.988 4.983 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 1621589557 MNGGOTBKVKYQOJ-UHFFFAOYSA-N 446.616 4.901 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 1622919109 YULQETOAGQTWDT-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2OC)cc1 1623010561 DISBJQQEUICTHD-QPPBQGQZSA-N 429.476 4.793 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(OC)ccc1OCCCC 1624344322 YWHXEQMWXLCRQT-KRWDZBQOSA-N 426.941 4.849 30 10 IJEE CCCCCCCCCN(C)C(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12 1625458058 MWOQGPUWZXTKKA-UHFFFAOYSA-N 425.529 4.815 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1625801169 PWZULAHQKNFLOX-XZOQPEGZSA-N 431.536 4.755 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccccc2F)s1 1626096494 WWNTXAAZPXMJJR-MRXNPFEDSA-N 439.940 4.847 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 1628895143 MTTTXFBDVPPBOI-SANMLTNESA-N 438.531 4.655 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncccc2SC)nnc1-c1ccc(Cl)cc1 1632006139 BZMNBLQDOBKRTA-UHFFFAOYSA-N 431.974 4.632 30 10 IJEE C=CCCOCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC 1633738021 HTMCTOFVXNRZAS-NRFANRHFSA-N 446.588 4.579 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)c1ccccc1 1636977906 NMRFAVUXWIFHLC-MYGHRHJXSA-N 443.569 4.653 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 1637243827 KLECZJXDGXLPBJ-UGKGYDQZSA-N 436.552 4.789 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(c4ccc(F)cc4F)CCCC3)n[nH]2)c1C 1637594774 SEMDJNFRTXPBBK-UHFFFAOYSA-N 425.483 4.554 30 10 IJEE C=CCn1c(Sc2ccc(Br)c(C(=O)OCC)n2)nnc1-c1ccccc1 1639213541 KYTPOJGEHZRYIY-UHFFFAOYSA-N 445.342 4.617 30 10 IJEE Cc1cc(Br)c2c(c1)CN([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 1642798774 CLBIQBNCSDAUOJ-MRXNPFEDSA-N 444.348 4.590 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCCOc1cccc(Br)c1 1652600963 KOOJGRVMOAOXTB-UHFFFAOYSA-N 430.371 4.989 30 10 IJEE C#CCN(CCC(=O)Nc1cccc(F)c1C)[C@H]1CCOc2ccc(Br)cc21 1653388213 GVUAUMVFACVOQF-FQEVSTJZSA-N 445.332 4.684 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 1653590599 AIMXNVMYBGQGQK-NRFANRHFSA-N 436.980 4.713 30 10 IJEE C=CCCn1cc(CNc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)nn1 1658513395 FBINAUIULIINAE-UHFFFAOYSA-N 426.446 4.883 30 10 IJEE C#CCN(Cc1ccc(F)c(F)c1N(C)C)[C@@H]1CCOc2ccc(Br)cc21 1658568799 GFMJYDRTCKSRMN-GOSISDBHSA-N 435.312 4.752 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c1 1659226775 UEPGUUKXMQZNLU-QHCPKHFHSA-N 430.504 4.821 30 10 IJEE C#CCN(C(=O)Nc1cccc(C(F)(F)F)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1659751373 CZNCRUFVOBKVRP-UHFFFAOYSA-N 439.478 4.880 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3COc3ccc(F)cc3)s2)cc1 1667655302 CYCCQZCEEOXGHX-IBGZPJMESA-N 436.512 4.820 30 10 IJEE C=CCCCCNC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1668053079 GLKVXSNDBBEEGF-FQEVSTJZSA-N 445.560 4.721 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1c[nH]c2cccc(OC)c12 1672708799 SPDCULYILIRCKP-UHFFFAOYSA-N 444.329 4.868 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 1674221467 KCJHWJUEWKLHAB-QWFCFKBJSA-N 429.561 4.799 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](c3ccccc3OC)N3CCCCC3)cc21 1674679134 CBQVNUBEESUZRW-QHCPKHFHSA-N 433.556 4.580 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1c(F)cc(C)cc1I 1675732287 XCDBWEJSQILCCQ-UHFFFAOYSA-N 442.203 4.534 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c(OC2CCCC2)c1 1677425496 FJHAEAPNBVXGDP-UHFFFAOYSA-N 444.329 4.972 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@H](C)Oc1ccccc1Br 1678506138 CVKLWOVIXIEAPI-QGZVFWFLSA-N 433.346 4.936 30 10 IJEE C#CCC1(NC(=O)NCCSCCOc2cccc(Br)c2)CCCCC1 1679249473 RDJVDJKRFOPSGH-UHFFFAOYSA-N 439.419 4.587 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)C1 1685266659 GAPHEMZXMBUVHJ-SQJMNOBHSA-N 433.596 4.941 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1685913928 QBTWVNUZDQRRBT-OAQYLSRUSA-N 445.485 4.594 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1686533054 NOPPZUKRIOWNMQ-QYZOEREBSA-N 445.560 4.669 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1689900507 GZGIJVBOMQOXJK-RUZDIDTESA-N 433.644 4.915 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)Nc1ccccc1 1690063965 WABOUSVJFORSTA-UHFFFAOYSA-N 447.608 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1Cc1nc(C)cs1 1690199874 BZCDPYKECKWMLH-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCc2sccc2C1 1690332502 BXNVUMOZBGZYGL-UHFFFAOYSA-N 430.961 4.729 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690465685 JLRFQZHJNQNQKH-RUZDIDTESA-N 426.605 4.875 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCc1csc(C(C)C)n1 1690563436 RGBFKZLYYMYQKW-UHFFFAOYSA-N 445.596 4.750 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690579632 PYGTXMQSQLZBLP-GHTZIAJQSA-N 432.634 4.910 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1c(F)cccc1N1CCCC1 1690579895 WRWKGZXVSJXDPS-UHFFFAOYSA-N 425.577 4.882 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1696175554 HAFXDGZTYTYALA-UHFFFAOYSA-N 442.523 4.667 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1705593249 LNXRPRXAHPUQEN-DLBZAZTESA-N 435.881 4.750 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@@H]1CCO[C@H](C)C1 1705608580 WYBWKPMLNSLIAB-NHCUHLMSSA-N 448.567 4.782 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C 1705681802 FVZGJNBCJLJSFB-LBPRGKRZSA-N 426.156 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@@H](COC)C1 1705697735 XMTNFFHBQRGCLS-CBQOVEMMSA-N 445.007 4.833 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CCCOC2)C1 1705721904 IBEKGPHQAJGYAG-OAQYLSRUSA-N 431.378 4.599 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1705784797 JKRXIRVNKLBWLV-RDPSFJRHSA-N 442.579 4.850 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1705787129 IQSOIXIMCMKHBU-MSOLQXFVSA-N 444.023 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccccc1C 1705789687 TUQIIWUCZCNQHA-UHFFFAOYSA-N 435.572 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCCCCC1 1705791937 INMPVAJNKJDSTH-UHFFFAOYSA-N 437.636 4.825 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1cc(F)ccc1F 1705868290 ICWHAYMWURAWHY-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCc1csc(CC)n1 1705872744 JQKVHLUKNPLPJR-UHFFFAOYSA-N 430.581 4.933 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1cccs1)N(C)C 1706743047 BHAQVHMTYQJULY-KBXCAEBGSA-N 446.983 4.840 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cccnc1 1706750908 BNVJTOGBOPRZIJ-LJQANCHMSA-N 432.572 4.531 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1712740069 CYNNCIPQBFEEFJ-CYBMUJFWSA-N 440.400 4.655 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCc2cccnc21 1722393112 RRCHAYOEJLELRV-IBGZPJMESA-N 447.945 4.716 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C(CC)CC)no1 1722414465 XOHJMBYHNTYHPD-UHFFFAOYSA-N 427.499 4.547 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CC)C1 1722465614 PPJUMGFEGGTIOC-OAHLLOKOSA-N 439.412 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1csc(C)n1 1722526907 QHLBGRJWZAQFEB-UHFFFAOYSA-N 433.585 4.541 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)COC)CC1 1722561663 ZXBLWZVPZSVWAY-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1722568287 GEPFBHRAYRROMI-HXUWFJFHSA-N 446.542 4.735 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)c2c(C)noc2C)CC1 1722583258 TVIADSDZPUYAEW-SFHVURJKSA-N 435.572 4.976 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1722606639 RTXOVTWGKHLTBP-HXUWFJFHSA-N 439.585 4.556 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO[C@H]1C(C)C 1722637015 OBZWJETYJMPGFG-LPHOPBHVSA-N 433.394 4.781 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCN1CCCC[C@@H]1CC 1722657995 RLOVJOTXOIARAM-BJKOFHAPSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C(C)C)C1 1722658600 XORKINGAGZYUFY-QHCPKHFHSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1Cc1c(CC)nn(C)c1CC 1722659154 PLHZWZICEOHWKE-UHFFFAOYSA-N 438.595 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCO[C@@H]1CCCC[C@H]1C 1722662678 KNBBHABVEIIVJS-WIYYLYMNSA-N 438.601 4.585 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CCOCC1 1722665095 GEPODFWTRQCGCR-UHFFFAOYSA-N 431.584 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2C(F)(F)F)C1 1722717088 CYNKQIPQZLJMDN-QGZVFWFLSA-N 432.446 4.695 30 10 IJEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)CC(F)(F)F 1729517839 DQKKGBPDLPUULK-LJQANCHMSA-N 448.537 4.573 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1740547580 YCKJTCIWTIAEFQ-QRFRQXIXSA-N 442.489 4.882 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1Cc1cccs1 1740741711 PVXVKTNEIFWREN-HNNXBMFYSA-N 430.375 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1Cc1occc1C 1740775995 KAVVJDDFPAGSFE-UHFFFAOYSA-N 445.361 4.972 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740845214 IVEGNZIQSJZCGF-FQEVSTJZSA-N 437.632 4.803 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@](C)(C#N)C1 1740870424 NRVGTMGEBUQZDH-HXUWFJFHSA-N 432.341 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1cc(C)oc1C 1740924353 NWBQPEJHRFPBBC-OFNKIYASSA-N 442.585 4.501 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1ccc(C#N)o1 1740935983 DFGLZNKJACXZSC-UHFFFAOYSA-N 433.899 4.940 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1740943587 XTFFNRADFGCPDJ-ROUUACIJSA-N 442.560 4.990 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(Cc2ccco2)C(C)C)cc1 1740965901 GFSPPYPYQHMIEH-OAQYLSRUSA-N 436.556 4.793 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCC=CO1 1741967697 BMXFVTVUPJUHAO-NYDSKATKSA-N 441.963 4.894 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1748721435 IYBRVJXOIVTWBO-UHFFFAOYSA-N 427.474 4.723 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1 1749021788 AJVBEZDXPOJWBF-QZTJIDSGSA-N 430.593 4.796 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H]1CCCO1 1749085252 ADCCCZYBZQEQNI-QZTJIDSGSA-N 449.393 4.559 30 10 IJEE C=C(Br)Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1749112502 JYGKFBIHJNNQQY-QGZVFWFLSA-N 445.405 4.660 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C)(C)CC1 1749140070 LNPOPUAJHJFIIZ-PGRDOPGGSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC(=O)NCCC)CC1 1749287962 IICSXOVVPPAEBG-UHFFFAOYSA-N 444.004 4.886 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)c2ccsc2)CC1 1749343999 YCIZSXWKZRROIN-QHCPKHFHSA-N 444.551 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1749368473 KETKZECTCNQICI-UHFFFAOYSA-N 439.652 4.781 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)C)C1 1749436984 ARLBOJHQBFFEEO-QFIPXVFZSA-N 426.605 4.982 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 1749460636 DSZIMTUZWHRAGT-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCC(C)CC1 1749499782 MXCOXZCJSRJLQN-UHFFFAOYSA-N 425.621 4.643 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCCN(C)C(C)C)C1CC1 1749515173 QYPDFLSZTRBOSO-UHFFFAOYSA-N 432.410 4.593 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1749557369 HWMFIXHVPXDKML-XZOQPEGZSA-N 436.648 4.911 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(C)C)c(F)c1 1749587174 KFNWBFOXPHJUSR-UHFFFAOYSA-N 449.530 4.928 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1749751524 XMRQTMFCJXAUTB-GOSISDBHSA-N 440.642 4.662 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCCC1 1750059464 ACQKBDOPUAYNOQ-MOPGFXCFSA-N 445.011 4.543 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(OCC(F)(F)F)c1 1750468262 FQMBYUUUGSDKIC-JOCHJYFZSA-N 449.521 4.986 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCc1nc(C(F)(F)F)cs1 1760103761 LRODPEIVKGMFFO-CYBMUJFWSA-N 445.470 4.867 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCc1cc(C(F)(F)F)ccn1 1760104331 WTZWYIDQVAKVRB-HNNXBMFYSA-N 439.441 4.806 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1760107922 YJAJSBPYBPCKEU-INIZCTEOSA-N 431.471 4.679 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCSC1 1760167091 CCVCSBIBIGDEJN-ZDUSSCGKSA-N 439.810 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCCC1(C)C 1760226338 CKHMIIBUVFHNAC-XDHUDOTRSA-N 426.630 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1760340594 GBAJSQSXHVHDTR-OFNKIYASSA-N 439.648 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CSCCS1 1760340981 VDEZGKXYAOCWPH-FQEVSTJZSA-N 432.659 4.725 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccccc1 1760362988 BHBHLRAOUBNIKR-QFIPXVFZSA-N 436.522 4.720 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CC=CCO2)CC1 1760392329 MQHQKZYFXBDZTH-QGZVFWFLSA-N 435.355 4.665 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccsc2Br)CC1 1760403414 RDSBPRCGHKBDHD-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](SC)C1 1760408582 PFGFWZYABZMGTJ-GOSISDBHSA-N 428.602 4.998 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cccs2)CC1 1760433822 WHSHYFKJLQMQKQ-GOSISDBHSA-N 441.576 4.912 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(-c2ccsc2)nc1 1760463624 JPRDNQVVZKUJDF-UHFFFAOYSA-N 437.519 4.941 30 10 IJEE C=CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1)C1CC1 1760473901 IUODYDLQNHNTEX-HKUYNNGSSA-N 438.469 4.948 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(C)CCCS1 1760500562 NUKWYSWAHROHQL-XMMPIXPASA-N 437.613 4.726 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC1(CC)CCOCC1 1760501310 MTHFNCWHIGAJGS-NRFANRHFSA-N 428.577 4.555 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(Br)s1 1760513610 OJCXDRRSQZDZND-UHFFFAOYSA-N 433.375 4.812 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@H](C)C2)C1 1762712728 ADIHEJOYFGFYJM-PCCBWWKXSA-N 434.632 4.810 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)C1 1766479865 AOPPATJWXFXOCK-UYAOXDASSA-N 435.597 4.620 30 10 IJEE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)c1 1772751078 HBORGUXVZNFNCD-UHFFFAOYSA-N 433.537 4.571 30 10 IJEE Cc1ccc(-c2nn(-c3ccc(N4CCC(C)CC4)cc3)cc2/C=N\NC(N)=S)cc1C 1857807525 NECZNAPFDNLAAB-DICXZTSXSA-N 446.624 4.560 30 10 IJEE CCCCCCCCCCn1cc(O[C@@H](C(=O)OC)c2ccccc2)c(=O)cc1C(=O)O 1857890890 IEXKWMXRSLYFMV-HSZRJFAPSA-N 443.540 4.980 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(-n2cccc2)cc1 1861778369 XPTPWKFTAURGLE-JOCHJYFZSA-N 429.630 4.806 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482345 OUZIMAGMDXAYBY-HXUWFJFHSA-N 447.453 4.755 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862503785 FMWIVCHEIDMLME-QFIPXVFZSA-N 436.483 4.620 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1C 1862507970 VWPKBIATFDSPQN-HSZRJFAPSA-N 438.543 4.753 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594335 CLDUAVXXZWSBFL-OAQYLSRUSA-N 439.389 4.588 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1)c1cccc2ccccc12 1862648666 HXGKXINMPPQSKJ-DEOSSOPVSA-N 437.499 4.705 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCO)cc1 1862656177 YBPLDNSOHZVZIS-XMMPIXPASA-N 445.515 4.589 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(c3ccc(F)cc3F)C2=O)cc1 1862945688 HCQKVZSFSQJANT-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)c1 1863146036 MURSKDSOKWYMLW-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)c(C)c2)C1=O 1863254309 WKMCBCFVIQXQKJ-UHFFFAOYSA-N 431.536 4.574 30 10 IJEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1863492299 FMXNAGJILYUWIF-UHFFFAOYSA-N 436.446 4.571 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2cccnc2)C1=O 1863651611 XVFLJZSECRPRBM-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](C)C(=O)Nc1cccc(C#N)c1 1866676247 VBZISUXJPCFOSJ-MRXNPFEDSA-N 444.535 4.505 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C(\C)c1ccc(CC)cc1 1868661610 SCFLYIWWFHPNAH-ZOFLOHRWSA-N 434.555 4.720 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 1870106134 YOIWYGIDFZFPQX-SFHVURJKSA-N 431.540 4.851 30 10 IJEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870106881 XUICFTUAZVIYLZ-FNORWQNLSA-N 432.698 4.810 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1Cl 1870142311 LQHWALVNPBTFMX-XVNBXDOJSA-N 448.697 4.760 30 10 IJEE CCN(CCO)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871392604 HEDBRTGSAWDTQK-JLPGSUDCSA-N 429.516 4.798 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871432545 KNGZGNILVQATIU-CFRMEGHHSA-N 445.446 4.970 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)OCCOc4ccccc4)cc(C)c3C2=O)o1 1871461938 GBJUPSQYPHMTNY-XKZIYDEJSA-N 434.444 4.514 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2C[C@H](C)O[C@H](C)C2)n1 1871515663 GIQTVXMBWPYENF-HDICACEKSA-N 430.572 4.562 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871873668 IHBITKCORBNADY-HTAPYJJXSA-N 446.588 4.981 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872445000 SWIMOGALHSSXRT-JOCHJYFZSA-N 432.561 4.933 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1cccs1 1872453795 NANGSRKYUDTVHX-SFHVURJKSA-N 426.991 4.550 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1[N+](=O)[O-] 1872767575 VNOYBAGGXUWOLH-ZDUSSCGKSA-N 444.375 4.703 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OC)c(Cl)c3)c(=O)oc2c1 1873936300 DKNXVZDHKYXPGA-UHFFFAOYSA-N 427.884 4.900 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(Br)cc1 1874295301 UJTZGDBEMSZAJF-UDWIEESQSA-N 446.330 4.534 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccccc1C 1874391355 DSLZGEICVNVTGB-DUYBAWCLSA-N 435.597 4.581 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874475078 IGRWEPGQMREZGI-ZMOGYAJESA-N 429.496 4.512 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)cc1 1874516021 BSWCLLHUWDSRIJ-ZMOGYAJESA-N 439.972 4.984 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccc2ccccc12 1874533934 JMVTWWQARWVKDE-SCELWYEFSA-N 429.549 4.591 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1874629771 TXKGZDAQLMQRCZ-BQYQJAHWSA-N 445.943 4.775 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1 1875135966 QKFGANTXPFKMFZ-YRNVUSSQSA-N 432.388 4.927 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]2C[C@H]21 1880013542 CXUQWXBXLNJXMA-XLNZFTOWSA-N 427.545 4.715 30 10 IJEE CN(CCc1ccc(F)cc1F)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1890526242 BYFBKCMTWHNZPW-UHFFFAOYSA-N 447.347 4.866 30 10 IJEE C=C(Cl)C[C@H](N)[C@H](O)c1cc(Br)cc(Br)c1OCCC 1921887720 DTGVASMLMXOQBT-QWHCGFSZSA-N 427.564 4.504 30 10 IJEE Cc1cc(C#N)cc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951476788 MQBIJQJJRMUEME-VWLOTQADSA-N 440.499 4.791 30 10 IJEE C#C[C@@H]1CC[C@H](NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)C1 1965443283 OJGDHTRVLTZXKK-MUFBNLQYSA-N 444.575 4.858 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C[C@H](C)C#N)C1CC1 1984689948 DHKZMMJHLXCJRD-CJAUYULYSA-N 445.563 4.700 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(N(C)C(=O)OC(C)(C)C)CC2)cc1 2000204890 DUKLVESSZIQJES-SFHVURJKSA-N 431.533 4.728 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2016843142 UFZBOQSVJGPZDI-VWKPWSFCSA-N 434.541 4.606 30 10 IJEE N#Cc1ncccc1Nc1cc(Br)c(Br)c(Br)c1 2034335084 QACDUDDARVJWHI-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1O[C@@H](C)C(=O)N(C)C 2040463956 UHBFMHLHGIIKDX-SFHVURJKSA-N 447.531 4.999 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(Br)cc1C 2060545176 DJVOGNYECROUHB-ZDUSSCGKSA-N 431.396 4.637 30 10 IJEE CCc1ccc([C@H](CC)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2078977569 MHLLXGLZVGEBCM-QOJWJBQSSA-N 433.240 4.795 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2079061142 SOSVBEOKCAMYQH-PZEXIZOFSA-N 445.251 4.931 30 10 IJEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1O 2079952249 FULLLAKOMPRQIE-KRWDZBQOSA-N 434.334 4.609 30 10 IJEE CC(=O)Oc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080080435 UYTUIDKPSVPYIR-KRWDZBQOSA-N 434.334 4.676 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)c1cc(Br)cc(F)c1C#N 2118154328 YUFCKJCJUNRRQZ-WBMJQRKESA-N 426.330 4.542 30 10 IJEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)c(Br)c1F 2118195186 SLVYYJYYFXTNCE-ZDUSSCGKSA-N 426.330 4.543 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1cc(Br)cnc1C#N 2167614613 URAQKJWSELUULK-CXAGYDPISA-N 435.366 4.601 30 10 IJEE N#C[C@H](C(=O)c1ccc(Br)cc1I)c1ccccc1F 2207270242 BRFWDKWZSSJJQW-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1OC 2229023917 FLXRWHIOZNMYAI-UHFFFAOYSA-N 425.323 4.579 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 2235734155 WBJDBTDOGRONBT-WDSOQIARSA-N 439.369 4.516 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]12C[C@@H]1CCCN2C(=O)OC(C)(C)C 2235745985 GRQQLIUIUHFDSE-KPLVRAHFSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2249348165 IHMCTWGKPVWNEL-QUUZMZQQSA-N 434.541 4.509 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254802413 WTKJQWOVTHIZDM-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CC(C)(C)N(Cc1ccccc1)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2255543319 HGXCMHPQFBVEGH-UHFFFAOYSA-N 429.316 4.705 30 10 IJEE N#Cc1cccc(Br)c1N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2257506977 RFVMNZODWAWQAC-NSISKUIASA-N 440.341 4.922 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1sc(CC)cc1Br 2262199861 LZCSTJTZXJECBW-SFHVURJKSA-N 425.344 4.988 30 10 IJEE CC1(C)OB(c2cnc(NCCc3cccc(OCc4ccccc4)c3)c(F)c2)OC1(C)C 2284351843 SEHAERVUWLJUOJ-UHFFFAOYSA-N 448.347 4.754 30 10 IJEE N#Cc1cc(N2CCC[C@H](c3nccnc3Oc3cccc(C(F)(F)F)c3)C2)ccn1 2296586974 MBRPPTCJXAKWDJ-HNNXBMFYSA-N 425.414 4.938 30 10 IJEE C=CCOc1c(Br)cc(C=C2SC(=NCC)N(CC)C2=O)cc1OCC 2313556503 BGGVSADVZOMVDG-UHFFFAOYSA-N 439.375 4.725 30 10 IJEE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)c1ccc(Br)cc1 2313601832 ZRVVTUJVFYSGTD-UHFFFAOYSA-N 442.342 4.653 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1 2315390233 MDAFJJRNPLALOF-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CCC[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317352134 UFSKIMNRWVXWTG-SFHVURJKSA-N 432.370 4.798 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 2323494603 RAVAURGSBQJLSW-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 2323812656 PVYKTMIDKGONFB-GOSISDBHSA-N 430.460 4.747 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)c(OC)c2)cc1 2323937474 VIGJXEMEGYJTTB-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324406312 GYBAJMKEJBUDFJ-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE CC(C)c1ccc(C=CC(=O)C(=O)Nc2ccc(I)cc2F)cc1 2325494646 HVSWVDZBYOLVAS-UHFFFAOYSA-N 437.252 4.775 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)c1cccnc1 2325715390 OPVKZJSEBVNFJQ-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2N=Cc2c(F)cccc2Cl)cc1OC 2325885211 XVGKQRXUTSJNFP-UHFFFAOYSA-N 448.951 4.867 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cccc(F)c1 2326766280 VVUASWZBZKZKLC-UHFFFAOYSA-N 426.517 4.721 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccccc1C 2326878838 VLHXOTZBBJIRAS-UHFFFAOYSA-N 426.542 4.872 30 10 IJEE CO[C@@H]1C[C@](C#N)(Cc2ccc(I)c(Br)c2)C1(C)C 2349878902 WSILXLNYGNYJHO-HIFRSBDPSA-N 434.115 4.551 30 10 IJEE N#Cc1ccc([N+](=O)[O-])cc1Oc1cc(Br)cc(I)c1 2364001316 HYILJIQNPGIGKY-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE C=C([C@@H](NCCC)[C@@H](O)c1sc(Cl)cc1I)[Si](C)(C)C 2366648706 UMAQCNWOUNFZTG-CHWSQXEVSA-N 443.854 4.841 30 10 IJEE CC1(C)C[C@](Nc2ccc(C#N)c(Br)c2)(C(=O)O)[C@@H]1OCc1ccccc1 2378739215 GNHXYSATHSDUKL-WIYYLYMNSA-N 429.314 4.571 30 10 IJEE CCOc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(C#CC(C)(C)CO)s2)cc1 2727526 CEPOJZAODCHUDO-HXUWFJFHSA-N 446.663 4.961 30 10 IJEE C=C(C)CN1C(=O)COc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081251 WSJZKZOSQIQUSV-CYBMUJFWSA-N 435.307 4.701 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)n[nH]2)o1 21080919 QKKXWVNOKCBJSA-OEAKJJBVSA-N 432.509 4.609 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2c1C(=O)/C(=C/c1ccccc1F)O2 41585076 QMLYCIKZMFGPFH-JLPGSUDCSA-N 444.506 4.778 30 10 IJEE C/C(=N/Nc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc2c(c1)OCO2 59016516 AZOLEQQUDZWUGD-YVNNLAQVSA-N 436.324 4.969 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@@H]1CCCN(CCC#N)C1 62039360 FKDIRUDUVRURCQ-LJQANCHMSA-N 439.581 4.773 30 10 IJEE COc1ccccc1[C@H](C#N)NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 78454763 PVAUZJPMAQDICL-FQEVSTJZSA-N 443.334 4.728 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O 103214739 ZTVDYUQDNFXOLO-AQTBWJFISA-N 440.477 4.537 30 10 IJEE CCN/C(=N\Cc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 105616269 DBOGXVMMWFHHHF-QGZVFWFLSA-N 436.364 4.524 30 10 IJEE CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Br)cc1 110895998 MLGLKXXZAVPTNI-HXUWFJFHSA-N 442.357 4.743 30 10 IJEE CC/N=C1/S/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C(=O)N1CC 141696518 GMHDKYGUKACBEW-AULJNTNUSA-N 432.549 4.860 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921338 AHSJDADAYDKTML-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 169928130 PCPJOUJIAJEECX-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C 169957094 SOZXZKXFBNJPNP-DEOSSOPVSA-N 448.563 4.981 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C(=O)O)cc3)[C@H]2c2ccccc2)ccc1F 170051237 WMODBGJSNZJJKW-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170096777 YMSPFAALRMMPRA-OAQYLSRUSA-N 437.879 4.763 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C)o2)c1 170099602 XNQWBCDMGNRSBU-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170117151 ZZAZIWGAWILRNO-NPMXOYFQSA-N 433.504 4.540 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(N(CC)CC)cc1 170138801 WNKQIWAOJKTKLH-HSZRJFAPSA-N 436.552 4.838 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170150003 LHHZWDQMWQXBTM-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)ccc1Cl 170161840 HTJHTZFHEQFOGS-IFXJQAMLSA-N 447.940 4.558 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccc(F)cc1 170243370 HUUCFLLULRQZPK-GOSISDBHSA-N 432.289 4.885 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2C)ccc1Cl 170275665 JLAIXYWRLWLURC-OAQYLSRUSA-N 443.927 4.662 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)c1 170286859 YOLNZJMLRIQPGF-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306165 CULYOQIHQQNZTL-LJQANCHMSA-N 440.358 4.557 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)c1 170330487 XAWZNTQBRPEZMK-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCCCCOC(=O)C(C)(C)C)[nH]2)cc1 253578997 ZBDJZDVGYAROJT-XQNSMLJCSA-N 446.621 4.559 30 10 IJEE FC(F)(F)COCCN1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469454686 MREJPMAQDXJGDF-ZDUSSCGKSA-N 425.291 4.676 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 480095860 UWOIPTKJYYMUNL-UHFFFAOYSA-N 435.553 4.666 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1F 481344511 HYHDVXVAYVWONF-QGZVFWFLSA-N 440.544 4.918 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 508461241 KGICAHCUGNGCHX-UHFFFAOYSA-N 446.551 4.841 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 508846745 HYUURBIPYRHZEP-IBGZPJMESA-N 436.560 4.513 30 10 IJEE COc1cc(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)ccc1OCc1cccc(C#N)c1 513537753 CINZEIJQCPXVCX-JNSABCDYSA-N 434.580 4.907 30 10 IJEE N#Cc1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(F)cc3F)C2=O)c1 526659369 PEHOUTOXETXMDZ-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE Cc1cc(C)nc(-n2nc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2C)n1 541998666 WRBGMULLNJHUQG-LJQANCHMSA-N 436.519 4.617 30 10 IJEE Cc1ccc(C(=O)c2c(NC(=O)c3ccc(F)c(C#N)c3)sc3c2CCN(C)C3)cc1 551304894 GQXPOPYVYBNMMY-UHFFFAOYSA-N 433.508 4.539 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 572169367 NMLAQDIZSHOFTL-GOTSBHOMSA-N 445.523 4.787 30 10 IJEE C=CCN(CCCOc1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586153409 MJZZWWGIMQMIQR-UHFFFAOYSA-N 430.353 4.648 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2CCC(Cc3ccccc3OC)CC2)c1=S 726591490 JDCJGLFQKQCSNW-UHFFFAOYSA-N 435.597 4.583 30 10 IJEE CC(=O)N(c1ccc(F)cc1)c1nc(C=NNc2ccc(Br)cn2)cs1 727262882 BODMJLGKESRTFX-UHFFFAOYSA-N 434.294 4.570 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 733196418 AYELBMOPTWDECG-QHCPKHFHSA-N 441.556 4.501 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(COc3ccccc3)cc2)c1 733802799 CTBULUDWWKQVKN-QHCPKHFHSA-N 429.520 4.946 30 10 IJEE N#C[C@H](C(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nc2cc(Cl)ccc2s1 753920797 LLDPDGIKJMQQGO-MRXNPFEDSA-N 437.908 4.592 30 10 IJEE COc1ccc([C@@H]2[C@H](C(=O)N3CCC(C)(C#N)CC3)CCC(=O)N2c2ccc(C)cc2)cc1 780779459 GDQDYUJHELWBGN-ILBGXUMGSA-N 445.563 4.640 30 10 IJEE CCOc1ccc(N2C(=O)/C(=C\NCC3CCC(C#N)CC3)c3ccccc3C2=O)cc1 799742761 IGROLJAOIPFLQX-ULJHMMPZSA-N 429.520 4.533 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 807468486 VLUQVEJXCPSZGW-LJQANCHMSA-N 428.479 4.605 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 1125146344 ZDTYNQMORQOKEJ-UHFFFAOYSA-N 434.467 4.581 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 1125468572 XBQLGDDEALBTEB-UHFFFAOYSA-N 447.579 4.557 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(Oc3cc(F)cc(F)c3)nc2)c(OC)c1 1131676252 UAHLVYDTNJXHEQ-UHFFFAOYSA-N 426.419 4.907 30 10 IJEE C=CC(C)(C)CC(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1134015682 JADBXTQFGWOANT-MOPGFXCFSA-N 428.573 4.745 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 1141853419 NUSWYNXHQUYZMB-SFHVURJKSA-N 438.609 4.787 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)CC#N 1141962232 OBWCGYJLKDLBKA-DEOSSOPVSA-N 445.563 4.916 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C 1144972167 IFVAVOGWYPYHAA-JOCHJYFZSA-N 444.934 4.863 30 10 IJEE COc1cc(C#N)ccc1OCCN(Cc1ccccc1C)c1ccc2nc(O)[nH]c2c1 1167788981 HPPMANUPLJAADS-UHFFFAOYSA-N 428.492 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2cc(Br)ccc2C#N)CC1 1185080732 CNXKIOZMSFHHHU-GOSISDBHSA-N 434.378 4.937 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1c(F)cccc1Cl 1191614310 FOURMEBEYYLJTC-GFCCVEGCSA-N 434.842 4.742 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(Cc2ccccc2F)no1 1200392463 ADLVKTRRMVYJEW-CQSZACIVSA-N 425.489 4.515 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 1201299401 VPIDZBLWJPWCRO-KRWDZBQOSA-N 435.524 4.888 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 1227346756 GSJBHZWPFGBLIF-XUTJKUGGSA-N 442.485 4.745 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)cc1 1228139018 TUVAEQIQNASDIS-UHFFFAOYSA-N 430.504 4.608 30 10 IJEE C=CCC1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 1228269765 GUTNXWTUYDWOCO-CVEARBPZSA-N 433.515 4.610 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)NCc2cc(Cl)ccc2Oc2ccc(C)c(C)c2)C1 1254764939 ZCJQLBMJVUVEKO-OAQYLSRUSA-N 425.960 4.646 30 10 IJEE C=CC[C@@]1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCCN1C(=O)OC(C)(C)C 1264414263 WTXAANPPQUEAGD-VWLOTQADSA-N 427.589 4.589 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286303350 BIEQSSHCGFOIIC-BDTNDASRSA-N 439.673 4.705 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCSC2)C1 1286342108 MGVGLEVTYRGZLM-VGSWGCGISA-N 431.005 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(OCC2CC2)c1 1286569411 OXSPTXOQPKTOSH-UHFFFAOYSA-N 438.963 4.628 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCCC2(C)C)CC1 1286651173 VKIIMMRCRPYGTL-XMMPIXPASA-N 442.629 4.677 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccnc2OCCC)CC1 1286655121 OEOBVAPNMCRDGL-UHFFFAOYSA-N 433.556 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1286666620 KIPYDTHQAWOYDE-WIYYLYMNSA-N 439.604 4.615 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C)CCOCC1 1286681291 UEDNJVDMPUGWGE-QFIPXVFZSA-N 440.588 4.790 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1286684484 IHYUPWSDORRMNE-LJQANCHMSA-N 442.629 4.721 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)cc1SC 1286759613 RVDKIRXDDASWFM-UHFFFAOYSA-N 425.627 4.891 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(C)nc2)C1 1286802186 PPXDSTVNDFGCBM-SFHVURJKSA-N 444.366 4.785 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286825930 RLKLJWMCXGEYNY-FSSWDIPSSA-N 426.630 4.745 30 10 IJEE Cc1nc(C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(C)(C)C)C2)no1 1290446410 BFTZCFZRMMPMKV-HXUWFJFHSA-N 447.587 4.794 30 10 IJEE C=CC(=O)N1CCC(C(=O)Nc2cccc(C#Cc3ccccc3)c2)(c2ccccc2)CC1 1290516916 KWLDNBBGGDYNNI-UHFFFAOYSA-N 434.539 4.771 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccnc1)C(C)C 1295744178 FCNHDMUXUVDVCY-RPWUZVMVSA-N 444.583 4.657 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC(F)(F)C2)cc1OC 1296723919 CBHCROMUWXTHRG-HOTGVXAUSA-N 433.503 4.526 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC(C)=C(Br)C1 1300963070 MXFAJAYQFOCRPR-UHFFFAOYSA-N 431.378 4.875 30 10 IJEE C=CCCCCn1c(N2C[C@@H](F)[C@@H](c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301196970 CAKIOKLTEBFYCH-RQTOMXEWSA-N 442.579 4.617 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cccs2)CC1 1301225740 KCWQPXPDLKBROY-UHFFFAOYSA-N 428.005 4.877 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](COC)C1 1301231282 GEGDJOQXSMWDMC-MRXNPFEDSA-N 439.387 4.993 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1C1CC1 1301308230 BJQVIDQDRNCWFR-QFIPXVFZSA-N 437.632 4.794 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(CCC)C1)C1CC1 1301317663 WNUPSSRDRFRFMI-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1Cc1ccc(Oc2cccnc2)c(F)c1 1301405986 NGGVCMOJBXQOKE-UHFFFAOYSA-N 433.487 4.789 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)C[C@H]1C 1305149711 FHDLYCBOJIRJKA-ZIAGYGMSSA-N 442.386 4.781 30 10 IJEE Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1S(=O)(=O)Nc1ccccc1F 1306281671 HDQQFZKVKCYMIP-UHFFFAOYSA-N 429.517 4.738 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCC(C)(C)C(=O)OC(C)(C)C 1310862891 ZQVODTYKWUGISI-UHFFFAOYSA-N 441.366 4.893 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 1311999904 OLTOZUHUPIWHEP-JOCHJYFZSA-N 429.511 4.508 30 10 IJEE C#CCCCC(=O)Nc1sc2c(c1C(=O)c1cc(OC)cc(OC)c1)CC[C@H](C)C2 1349121015 IGNXOHHNVVUMQG-HNNXBMFYSA-N 425.550 4.863 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 1351263080 FZIAEJBMVDWWPI-UHFFFAOYSA-N 429.557 4.744 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1351959333 BJNOVRLMBGXTBR-NBGIEHNGSA-N 438.572 4.881 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)CCCN1C(=O)OC(C)(C)C 1352903646 AVSDKDHESOEKOA-SANMLTNESA-N 449.551 4.968 30 10 IJEE CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 1355197993 COACIXPCOLFMHS-GOSISDBHSA-N 441.494 4.779 30 10 IJEE COc1ccc([C@H](NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C(F)(F)F)cc1 1357476606 CJFGGSRPOZKTSX-AWEZNQCLSA-N 441.299 4.931 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 1357693442 AEKPITSZIRTOIL-UHFFFAOYSA-N 448.935 4.664 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC1CC(OC(C)(C)C)C1 1359006683 FIXOPNWSKDOCCT-UHFFFAOYSA-N 446.599 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCc3c(F)cc(F)cc3[C@H]2C)nnc1C(C)(C)C 1359104714 FHARECXBMKDJOS-ZOCZFRKYSA-N 430.543 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)c1cccc(C)c1 1359116058 WCHRLUXHDNOTHI-LJQANCHMSA-N 437.613 4.784 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1359201068 BHRNJUMKTMPOHG-IBGZPJMESA-N 433.478 4.561 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1359223950 AZXOIULHKDYDOZ-IBGZPJMESA-N 441.938 4.719 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)c1cc(C)oc1C)C1CC1 1359248569 UAZYLEYIGJTYKK-HSZRJFAPSA-N 426.948 4.871 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1 1359254456 SEPYEAFFFXAAQJ-NHCUHLMSSA-N 447.583 4.747 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)S[C@@H](C)C1)C(C)C 1359265728 KWSDCRLUWSPEOV-KJJMTIBFSA-N 447.693 4.549 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCc2cc(F)cc(C)c2C1)C(C)C 1359266094 SQDXUPAQAJURQZ-DEOSSOPVSA-N 437.607 4.864 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1359285407 FTGVVCJYGBJCDA-DOTOQJQBSA-N 449.393 4.544 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1359345353 CYNVJYPEHVNPQH-PMACEKPBSA-N 442.629 4.576 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)c1 1359863180 GTSOUVPNABSAQU-QFIPXVFZSA-N 440.568 4.976 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCCC2)C1 1360138635 IDZLJNFXXWDKBE-HSZRJFAPSA-N 434.632 4.954 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cc1 1360469369 BLXPDHUWOCCVTG-GFCCVEGCSA-N 434.338 4.695 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2)s1 1360597190 FFYDUQQNFKSFDY-IBGZPJMESA-N 449.963 4.605 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)c1ccccc1 1435777345 MPHUTOCRPWWUFG-HSZRJFAPSA-N 439.987 4.563 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc1 1457482095 XDVRZSGSXZDRFT-AREMUKBSSA-N 435.495 4.856 30 10 IJEE O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC(=O)N(c2ccccc2F)C1 1458872942 CWQVUKIMZFQUGJ-PIGZYNQJSA-N 448.338 4.617 30 10 IJEE C#CCN(Cc1ccc(-c2ccccn2)nc1)[C@@H]1CCOc2ccc(Br)cc21 1459516075 RTYZJELPOTTWDP-JOCHJYFZSA-N 434.337 4.865 30 10 IJEE C#CCOCCN(C)[C@@H](C(=O)Nc1nc(-c2ccc(CC)cc2)cs1)c1ccccc1 1459891867 DWPSDGVIXRYNMJ-HSZRJFAPSA-N 433.577 4.634 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)C1CCCCC1 1464648723 IXBDYHOSSIRKRY-UHFFFAOYSA-N 444.984 4.857 30 10 IJEE Cc1nc(SCC(=O)Nc2cc(Br)ccc2NC2CC2)c(C#N)c(C)c1C 1465621411 HYFFFFOXQBHOFN-UHFFFAOYSA-N 445.386 4.946 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4c(F)ccc(Br)c4C3)cc21 1467381344 ICKHGXITTCOROU-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1ccc(Cl)cc1 1470662240 GPKKFZHDSYKGDQ-RTBURBONSA-N 433.980 4.739 30 10 IJEE C#C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 1472575085 GYNPMRQFUFMHIN-BJKOFHAPSA-N 446.934 4.668 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNCc2c[nH]nc2-c2ccc(Br)cc2)c1 1474007506 FRTBHIQHQQEAPW-LJQANCHMSA-N 425.330 4.810 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(C)C 1476312374 LVUUXDSVLAXMQC-FQEVSTJZSA-N 435.494 4.711 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 1478711885 WTZPZNGGKWITEE-UHFFFAOYSA-N 448.327 4.902 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H]1CCCCS1 1507522221 BMLUULBEFKPHEF-UYAOXDASSA-N 442.629 4.876 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@@H]1C(C)C 1507525751 CVJJEVCTAXAQNP-MZLICYQSSA-N 448.567 4.636 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507566883 MPAOQDVDOKLAPG-DEOSSOPVSA-N 430.600 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCCCC1 1507766855 ZWDSMIRXCGJMAU-XMMPIXPASA-N 426.008 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@@H](SCC)C1 1507797882 SXJCIGSLKBOJOC-SBHAEUEKSA-N 430.618 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(NC(=O)CCC)cc1 1507818133 USBBTOXCNYXFHG-UHFFFAOYSA-N 432.572 4.838 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Oc1ccc(C)cc1 1507826651 WSJOISNRKXCFCW-GOSISDBHSA-N 425.602 4.812 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CCCO)CC1 1507852565 BHXCJXTZESLRJA-INIZCTEOSA-N 439.387 4.813 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCCOCCOC)CC1 1507881329 SXQOIRYAERTFCA-UHFFFAOYSA-N 439.387 4.852 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1507899578 MAPCPHCAXOYDKF-OAQYLSRUSA-N 430.600 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1507914658 MURCAZPKHKYALC-QGZVFWFLSA-N 427.559 4.858 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507926957 WJSXXQZLOWZNDE-JYFHCDHNSA-N 448.615 4.662 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507940912 HJEWAUMTTTXIFX-JOCHJYFZSA-N 449.603 4.572 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCC1CCN(CC)CC1 1508005226 VEXHRXDEKDVBQC-XMMPIXPASA-N 437.632 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)c1ccccc1 1508006570 IBZWRZRFQDBEIE-NQIIRXRSSA-N 435.597 4.677 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1508018172 PJGXJPMARVEEFD-ZJSXRUAMSA-N 446.599 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1CC1CC2(CCOCC2)C1 1508021529 NZRGDGFEUHPOOV-UHFFFAOYSA-N 442.991 4.896 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cccc(C#N)c2)n1 1511440994 GGWJXVGKTKDSQO-OAHLLOKOSA-N 432.553 4.923 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1518362160 PSPQZWRHCSLAPF-URXFXBBRSA-N 439.987 4.582 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCCC[C@@H]3c3ccc(Cl)cc3)cc2C1=O 1521191697 LIMAFIYUPAFOTJ-KNQAVFIVSA-N 436.939 4.968 30 10 IJEE CC(C)(C)c1cc(NC(=O)COc2ccc3c(c2)CCCC3)n(-c2ccc(C#N)cc2)n1 1525745303 FDHPBYPSOMLHJA-UHFFFAOYSA-N 428.536 4.938 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)c3sccc3S(=O)(=O)C(F)F)c2C#N)[C@H](C)C1 1527031742 CWUFVBLSBKKRRT-RKDXNWHRSA-N 430.523 4.616 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)cc1 1528728548 VUCHSIRXZFPPRU-UHFFFAOYSA-N 426.516 4.622 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)CC(C)(C)c2ccc(C)cc2)nnc1-c1ccco1 1531017411 ZHKHIRVFYPGFFF-UHFFFAOYSA-N 438.597 4.951 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CC(C)C)c1 1534459183 JRFORFVDJMZSIX-KRWDZBQOSA-N 434.989 4.886 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C 1534730846 CPRHVPLFGPNSRL-UHFFFAOYSA-N 428.463 4.763 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cc(C)c(Br)c(C)c2)CCCN1C(=O)OC(C)(C)C 1537225368 UGUTYPJEZBXQKE-NRFANRHFSA-N 436.346 4.764 30 10 IJEE C=CCN(C(=O)c1ccnc(SC(C)(C)C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618457 KPBRHNNPGFRADZ-FQEVSTJZSA-N 426.582 4.775 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1cscn1 1539095748 JTUNDBVUXPIISR-UHFFFAOYSA-N 434.594 4.883 30 10 IJEE C#CCN(C)c1nnc(Cc2ccccc2F)n1Cc1c(C)sc(C)c1Br 1539186361 QWDORVJKDATHSI-UHFFFAOYSA-N 447.377 4.567 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1cccs1 1539238162 QYTLWSPGTVUWJW-UHFFFAOYSA-N 443.601 4.754 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1539318823 YTZWKFXXTFAHLL-WOJBJXKFSA-N 448.464 4.604 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC1(C)C 1539496219 DWLKWKWECAJRRH-SFHVURJKSA-N 428.602 4.562 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](Oc2ccccc2OC)C1 1539559556 CGPGXYPFQZDVHH-QGZVFWFLSA-N 435.442 4.962 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOCC)CC1 1539686313 OWGOOFXZRVMYTF-UHFFFAOYSA-N 446.020 4.548 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([S@@](C)=O)CCC2)CC1 1539836006 LHTWMVOYUDYZIE-MUUNZHRXSA-N 439.412 4.710 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1539841779 KPCQQBLSJLTLCC-MRXNPFEDSA-N 439.913 4.639 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1539888118 LNNMEIAOGOMRSU-IRLDBZIGSA-N 443.661 4.719 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCCC1 1540141631 CJGUOBWVFQNOOT-IBGZPJMESA-N 436.629 4.635 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC(F)(F)CO1 1540147344 PGBKPLZRWQCZTI-KRWDZBQOSA-N 448.514 4.686 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC1CCN(Cc2ccccc2)CC1 1540168454 OBQCQSCIJUULFA-XMMPIXPASA-N 435.616 4.610 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1nccs1 1540182284 NGRBECQTVAMMNH-UHFFFAOYSA-N 425.945 4.931 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1540912096 MQHCGTIAGUPYGL-UXHICEINSA-N 430.593 4.787 30 10 IJEE CC(C)CCCn1c(-c2ccccc2Cl)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541500145 HPIVLYIOIALHSI-UHFFFAOYSA-N 436.947 4.570 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@H](c1ccsc1)N(C)C 1542707363 FHEKXONOBBRCEN-JOCHJYFZSA-N 434.613 4.748 30 10 IJEE C#CCN(CC(=O)NC1(c2ccccc2Br)CCCCC1)C(=O)OC(C)(C)C 1556620048 YUQTWNSNMAXRQD-UHFFFAOYSA-N 449.389 4.595 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br 1558216651 NCAASPYBENOCPT-HXUWFJFHSA-N 436.309 4.591 30 10 IJEE C#C[C@H](NC(=O)CCC(=O)c1ccc(OCC)c(OCC)c1)c1ccc(Cl)cc1F 1568895106 PFEWLOHJPXKHDC-IBGZPJMESA-N 431.891 4.730 30 10 IJEE C#C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccc(F)cc1 1583539112 MSKZJVMTTGBNKX-VWLOTQADSA-N 439.490 4.720 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1587851022 BHFXHXQVIFASPK-HXUWFJFHSA-N 430.499 4.528 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H](OCC)C(C)C 1588200671 YZPVYEKZEDDIFY-NRFANRHFSA-N 430.955 4.652 30 10 IJEE Cn1nc(C(F)(F)F)c(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c1Cl 1588264202 HYLSQVOZAMFYKM-UHFFFAOYSA-N 435.683 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1ccc(OC)cc1 1589177537 KLOHYSZVFVSLCN-RUZDIDTESA-N 449.986 4.972 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1593757501 GNJZZSOSDGPMIF-INIZCTEOSA-N 429.565 4.563 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCOC(C)(C)C)CC1 1594014827 WLGWIIJRYCXQIL-LJQANCHMSA-N 428.577 4.788 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1594064492 OMDGTHMTXBOJHO-IRXDYDNUSA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCOCC)CC1 1594070860 OXUIAFJNIJUZNL-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccnc(OC(F)F)c2)CC1 1594122415 PMYQXUPEBVAGBO-UHFFFAOYSA-N 439.510 4.655 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](OC)C(C)(C)C)CC1 1594430058 HCRBSJWSMMHIGP-QFIPXVFZSA-N 426.605 4.883 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@]1(C)CCCO1 1595251266 QTTFFHVVXITFET-QHCPKHFHSA-N 426.948 4.996 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCc2cccc(C)n2)C1 1595700149 LARNZLQJBAAPFF-QFIPXVFZSA-N 437.975 4.716 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(CSc4ccc(F)cc4)cc3)CC2=O)cc1 1597190008 FALMKXBTRMEUDK-IBGZPJMESA-N 445.519 4.981 30 10 IJEE O=C(CC1CCN(CC(F)(F)F)CC1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1617928686 CBANIEYOGBMJOZ-OAHLLOKOSA-N 434.783 4.863 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(OC)c(C)c2)c1 1621595900 VCXRMDZDYLJNFK-UHFFFAOYSA-N 438.501 4.567 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 1623170323 ICGFBKNUYHYNKG-GOSISDBHSA-N 431.305 4.839 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 1625472425 IOMFRCZODXNSEH-QFIPXVFZSA-N 442.600 4.974 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F 1626172404 QXRZBLBSCNFGIO-QGZVFWFLSA-N 448.235 4.694 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12 1626750835 IXOBXTJSYREHSC-UHFFFAOYSA-N 430.390 4.763 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 1627242600 BYRAIKKNUCXULD-SFHVURJKSA-N 432.973 4.736 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)C(=O)OCC 1627751441 CLZZPMBCWMZSBJ-OAHLLOKOSA-N 427.444 4.941 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1scc(C2CC2)c1C(=O)OCC 1627826341 LUFQQPPNEGOCHC-CQSZACIVSA-N 442.965 4.777 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1628875737 DNRWBHHBADFHKR-DEOSSOPVSA-N 444.528 4.732 30 10 IJEE COc1ccc(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)nc1 1628977685 GLWLKXBJOCWOPW-UHFFFAOYSA-N 427.382 4.954 30 10 IJEE C=C(CNC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 1630055462 FBQYEXJPVZNSMD-OAQYLSRUSA-N 427.504 4.597 30 10 IJEE C#CC[C@H]1CCCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1630864703 VKRSOPBGANPXOM-NRFANRHFSA-N 444.575 4.957 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]c4cc(F)c(F)cc4c3=O)cc2F)c1 1632262318 GBMHXZSVYJDILR-UHFFFAOYSA-N 449.388 4.648 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 1633039927 HIKGPDSHHKDFQN-UHFFFAOYSA-N 436.552 4.585 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)c1ccccc1 1636977907 NMRFAVUXWIFHLC-NMEJYPJZSA-N 443.569 4.653 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1scc(C2CC2)c1C(=O)OCC 1640244148 GUUDJIFAFXMBJG-INIZCTEOSA-N 436.574 4.990 30 10 IJEE C=CC[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C)C(=O)OC 1640686483 VITBIACEVWLEIM-LJQANCHMSA-N 428.941 4.866 30 10 IJEE C=CCCC(C)(C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1641191675 UYBKGJJJJJHCEX-UHFFFAOYSA-N 442.625 4.937 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2CCc3ccccc32)C(C)C)nnc1-c1cccc(OC)c1 1643757943 ZEFFZZONWARZEW-JOCHJYFZSA-N 448.592 4.846 30 10 IJEE C#CC[C@H]1CCN(CC(=O)Nc2cc(-c3ccc(Cl)cc3)sc2C(=O)OCC)C1 1644469871 LRLIVCCCBLAYCC-HNNXBMFYSA-N 430.957 4.529 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CCCF 1644945248 SWEAEDKSNHSREQ-JOCHJYFZSA-N 444.934 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C(CC)CC)N(C)C 1649540403 VPRXHDSDAQZLRE-JXFKEZNVSA-N 446.437 4.532 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCN(C(C)C)CC3)c2C#N)C1 1652434603 DMIOSVKIBUJXSA-SFHVURJKSA-N 430.662 4.515 30 10 IJEE C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1cccc(Cl)c1C#N 1654673351 DNSDPHSJSNNXCX-BXKMTCNYSA-N 436.964 4.979 30 10 IJEE CN(CC1CCN(c2cc(Br)c(C#N)cc2F)CC1)C(=O)OC(C)(C)C 1655114057 BPGCSXMKJXZMTI-UHFFFAOYSA-N 426.330 4.543 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 1657505285 MADWVESHDIHHLP-QFIPXVFZSA-N 435.568 4.898 30 10 IJEE CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cc(Br)ccc1C#N 1661000431 BKNMTVUWJXMOCW-CYBMUJFWSA-N 433.327 4.839 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2 1662067734 QTUIRQOQLLTXLD-QGZVFWFLSA-N 441.959 4.741 30 10 IJEE COc1cccc([C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)OC)c1 1666204530 ACXBYLYJLQPMLB-RUZDIDTESA-N 445.519 4.849 30 10 IJEE C#C[C@@H](NC(=O)N1CCn2c(cc3c(Cl)cccc32)C1)c1ccc(Br)cc1 1674026008 QCZCRUPGALCCJW-LJQANCHMSA-N 442.744 4.957 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@@H]1CCCc2ccccc21 1678140586 OWHDKDOZXKVOAD-IFMALSPDSA-N 437.971 4.650 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2cc(OC)c(OC)cc2Br)CCCC1(C)C 1678519168 VHQIHWPWPBQQTJ-GOSISDBHSA-N 425.367 4.743 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCCc1c[nH]c2cccc(Br)c12 1679223319 RBZKCJMKWXCGQI-UHFFFAOYSA-N 428.330 4.537 30 10 IJEE C=CCC1(CNC(=O)N2CCC[C@H]([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCC1 1682500789 LAQVBTURCONVCT-HBMCJLEFSA-N 449.636 4.617 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](CC)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 1685367555 ZTCPAQUFKXLFLI-SMIHKQSGSA-N 443.538 4.561 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](C)c2ccc(O[C@H](C)c3ccccc3)cc2)n1 1686978038 NZVVTDLLYYLZMT-NHCUHLMSSA-N 430.552 4.949 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(Oc2ncccc2F)CC1 1689895372 RFHMZSVVVBUOFL-UHFFFAOYSA-N 447.558 4.563 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1CC 1690091326 POKTUCIRXWKOQG-PKTZIBPZSA-N 431.559 4.869 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccco1 1690184589 LEGSIKCSLGDCSJ-LJQANCHMSA-N 442.972 4.811 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ncc(CC)s1 1690193928 VYDYJJKUCURRIE-QMHKHESXSA-N 439.560 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@](C)(CC)C1 1690241554 UFPNAFNLHAEMJJ-CGYQNGNCSA-N 448.970 4.724 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1690506172 FQSJEKMRNZRYTD-NZQKXSOJSA-N 434.588 4.738 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCSC1)C1CC1 1690539475 AXQXVCIDUCDIPX-HNNXBMFYSA-N 433.419 4.924 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@H](C)C1 1690569865 OEGTWYCCSINUOE-REWPJTCUSA-N 441.595 4.583 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C)C2(CCC2)C1)C(C)C 1690580732 DYTOTFCWOWCIKV-GMAHTHKFSA-N 436.648 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C(F)(F)C12CCC2 1690585016 AQIBRHZKGDSQEW-OAHLLOKOSA-N 438.320 4.650 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1690594724 DTEIUGNBYHROPV-RPBOFIJWSA-N 449.643 4.653 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(C)C)C1 1690688709 ZNMNBHGWRQZBQP-INIZCTEOSA-N 437.357 4.674 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2Cc2ccsc2Br)C1 1692851247 CYXFCHCPZUNIRO-IBGZPJMESA-N 434.407 4.938 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1705605096 AUKMSDBZEBAECX-HSZRJFAPSA-N 444.627 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1Cc1nc(C)cs1 1705669756 VRRRDMCAPPDUBQ-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CC(C)C 1705693544 HTSPECWYTKJLBI-UNMCSNQZSA-N 439.604 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC[C@H](OC)C(F)(F)F 1705716592 OYDRQMUCQKNKKR-KRWDZBQOSA-N 432.437 4.517 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1705812230 UOCRQVQGBAXTAB-GOSISDBHSA-N 438.551 4.641 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705827228 YGFZTPKNBGEQPN-QHCPKHFHSA-N 432.996 4.833 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCC1)C1CC1 1705849075 BPNUSFMKNMDOOM-KRWDZBQOSA-N 429.996 4.711 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1CC 1705856860 JBWONXHMVUMNGB-SFTDATJTSA-N 434.588 4.706 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC[C@@H](C)N1CCCCC1 1705865787 WNDZSELOJWJYIO-HXUWFJFHSA-N 436.629 4.859 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC(C)(C)C1)C(C)C 1705866991 DYGINBZUOYVIPA-HSZRJFAPSA-N 436.648 4.974 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705880713 NSKXFTYAVJQARH-NHCUHLMSSA-N 425.621 4.884 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1705886886 VEYLSADIFWHAQN-HOCLYGCPSA-N 437.357 4.674 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2ncc(CC)s2)cc1 1705910032 PIOSFYVWHVXSRS-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705941851 YROCDLJCYTXYRV-QFIPXVFZSA-N 436.629 4.773 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@](F)(C#N)C1 1709638724 DSOBJUTWKFQKCG-RDGATRHJSA-N 438.595 4.604 30 10 IJEE CCSc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1710930954 FWCHMFFSZPSVJX-DEOSSOPVSA-N 432.597 4.554 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCCC2)cs1 1711500749 DZBOSEMJMXCFKJ-QGZVFWFLSA-N 436.585 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722287111 MUHPLFVEORVEFR-HRCADAONSA-N 436.478 4.714 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](CC)O[C@H](C)C1 1722310769 OOYVGQPGLUNCFE-NSHGMRRFSA-N 426.630 4.939 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCC1CC(OC(C)(C)C)C1 1722386198 SECMHARSIWKIOK-UHFFFAOYSA-N 448.611 4.531 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H](SC)C(C)(C)C 1722408367 CIQYXJPDZGYKDH-QGZVFWFLSA-N 435.435 4.945 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCc1sccc1C 1722408964 ZMMVRTPHRPPYIE-UHFFFAOYSA-N 429.387 4.780 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCO[C@@H]1CCCC[C@@H]1C 1722418410 PNVOXASVBPHWGD-GBXCKJPGSA-N 449.574 4.658 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC(C)C)C1CCCC1 1722457427 DOLJVRZTHFGJPC-UHFFFAOYSA-N 448.640 4.902 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccco1)C(C)C 1722511214 XWDKCAQRRGPIAJ-GCJKJVERSA-N 441.601 4.623 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1722520918 RXISJZJAJWXSDG-NRFANRHFSA-N 447.631 4.944 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC(C)(C)CC1 1722536226 LQACJRDTUASOLA-UHFFFAOYSA-N 430.618 4.798 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1722591751 PMJQGVYCGDIOFS-UHFFFAOYSA-N 435.616 4.889 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1722594601 AOPHUVCVIDPIKH-MOPGFXCFSA-N 432.572 4.850 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1722596226 FMWSZWYJBBAAPO-ISKFKSNPSA-N 445.611 4.875 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722615872 BPWCWDURFFQPGJ-OAHLLOKOSA-N 444.448 4.661 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1 1722618964 XTODUAVEOOCDFT-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCOC1 1722659422 VSPCBFYKCHMQKV-DNVJHFABSA-N 438.616 4.816 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1Cc1cccc(C(F)(F)F)n1 1729396291 BYIRTEIHOAZOCC-UHFFFAOYSA-N 440.473 4.906 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cnccc1OC 1740537551 FHTXCDGRUHGSIW-CQSZACIVSA-N 437.956 4.723 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CC[C@H](C)C2)c1 1740564808 YFWDFAQUPYOFOO-SIKLNZKXSA-N 433.600 4.503 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCS[C@@H](C)[C@@H]1C 1740572502 MULMHFNMUZEJTE-HOTGVXAUSA-N 433.419 4.841 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCN(CC(C)C)C1 1740603064 FPIWMZAGABZUEY-UXHICEINSA-N 439.673 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCN1CCCC1 1740734693 MHLQQSFBVJHMMS-HHHXNRCGSA-N 449.643 4.633 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C)CC1 1740753080 FIEMQVIOWGQUQQ-AZUAARDMSA-N 443.389 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC12CCOCC2 1740768031 CSHBOFWUIBLCQM-SFHVURJKSA-N 432.515 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)c1ccc(F)cc1 1740770497 UXPJMYGRMHGTGP-LJQANCHMSA-N 429.927 4.923 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC2CCCCC2)CC1 1740780189 JKYFHQGKAQKTPB-UHFFFAOYSA-N 444.023 4.886 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCCN2CC)CC1 1740827949 QEKDQDFGFYMBIB-QFIPXVFZSA-N 437.632 4.930 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCC(F)(F)C2)CC1 1740828875 BAYGXKPHABVQPC-GOSISDBHSA-N 432.515 4.848 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCOCC2(CCC2)C1 1740853059 XEWFXLUUMDDABL-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(C)(C)C)CC1 1740865426 NMYWWPUEZSSCNH-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCO[C@@H](C)C1 1740879646 PFWBYRUXURRGEZ-IBGZPJMESA-N 432.996 4.833 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)CN1CCCC1 1740892671 LDJZVPKNUHPHIN-SFHVURJKSA-N 436.629 4.731 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CC2(c3ccccc3C)CCOCC2)C1 1740972929 OOCDIFSWYAPUEA-RBBKRZOGSA-N 438.616 4.630 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C/C=C\c2ccccc2)C1 1740986354 YUTZGRFTVDWVIA-IBVCJSHFSA-N 436.600 4.691 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC(C)C)nc1 1748639301 FCOHTPDPRVYRJC-FPOVZHCZSA-N 447.583 4.723 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1nc(C(C)(C)C)cs1 1748658699 VUJYXZXYZJZESW-QGZVFWFLSA-N 444.608 4.948 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1748725290 YMEYTCNDSPAPFR-LADGPHEKSA-N 425.665 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCc1sccc1C 1749072513 QAUYOUAWQAHNOM-RUZDIDTESA-N 434.609 4.677 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCSC(F)(F)F 1749078017 DJYMVDJUZQQWDA-HXUWFJFHSA-N 438.519 4.719 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCc1cccs1 1749124893 QXLDBGWGRUQVCF-GMAHTHKFSA-N 447.608 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccoc1C 1749140121 MJALJJNUZRATDI-YUMYIRISSA-N 442.604 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@](C)(O)C1CCCCC1 1749149048 PBLUPNJCMHAIIX-RUZDIDTESA-N 442.604 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CCc1nccc(C(F)(F)F)n1 1749150236 QNPXQRAGMPNNGR-UHFFFAOYSA-N 434.441 4.538 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCSCc2ccccc2)CC1 1749345715 RYVWDBOGROQPFC-UHFFFAOYSA-N 439.654 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1749360478 ZYYTZPALHGVCCL-IBGZPJMESA-N 441.595 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCCC2(CCOCC2)C1 1749376192 QTEWXEJFRVGVEG-UHFFFAOYSA-N 442.579 4.996 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCN1CCC 1749554322 RHWPCLKLYKITBA-NHCUHLMSSA-N 443.661 4.691 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1751731599 BRVYRJMMTHSORJ-UUOWRZLLSA-N 434.613 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCSC1(C)C 1760098709 WEESOTHEOWZJQH-FHWLQOOXSA-N 442.629 4.806 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1760124936 MYLJYZFAMGRHPT-OFNKIYASSA-N 439.673 4.847 30 10 IJEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1760175301 XIGYHGNMCDDCFK-HOCLYGCPSA-N 426.433 4.585 30 10 IJEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)C1CCCCC1 1760279894 AWWANIMGZMHWFQ-AVRDEDQJSA-N 440.613 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)[C@@H](C)CC 1760289073 MABWIYGELBKHKQ-WYWSTJKSSA-N 438.616 4.824 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC[C@@H]1CCCCO1 1760289755 SMAOPWSKHFLHPA-YDIMBITNSA-N 426.536 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760315413 FFGBRVBWZOVJLK-KEZOAJOQSA-N 443.680 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(N(C)C)CCSC1 1760329628 GJXQQVWQWMCASD-QPPBQGQZSA-N 427.662 4.660 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1760369275 IKMFVKVDOYISLH-SFHVURJKSA-N 438.988 4.972 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1760391328 YSWYVBJURHREMX-UHFFFAOYSA-N 445.995 4.594 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2nc(C)c(C)s2)CC1 1760404677 GEZOKHSKOIFQRA-UHFFFAOYSA-N 441.576 4.715 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCC2CCN(CC)CC2)CC1 1760405398 SDQJYGDZKMDUTP-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCCCO1 1760407772 OARMBLVWMYNZMS-NRFANRHFSA-N 439.604 4.755 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC(N(C)C(=O)OCC)CC1)c1ccccc1 1760417882 JVNXWYNWIAAKCK-OAQYLSRUSA-N 437.588 4.573 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCc2oncc2C1 1760443520 IQPWEDPSPHLODH-UHFFFAOYSA-N 434.327 4.681 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CC)CCCC2)C1 1760538975 XLKGVPQKSDHLNP-KRWDZBQOSA-N 448.409 4.787 30 10 IJEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)C[C@@H](C)O1 1762752958 FQCPNNDMMKLROM-CEQLMSFQSA-N 437.588 4.559 30 10 IJEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1)OC 1763865618 IENFFTIJGWBIOK-RBBKRZOGSA-N 449.555 4.713 30 10 IJEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(C)CC1)c1cccs1 1766887202 DZTYJVULBRAMMD-FQEVSTJZSA-N 434.613 4.808 30 10 IJEE CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=Nc1nc(-c2ccccc2)cs1 1772739164 SIPGRPSJFVCIAP-ILRWQIJNSA-N 446.557 4.781 30 10 IJEE NC(=S)N/N=C\c1cn(-c2ccc(Oc3ccccc3)cc2)nc1-c1ccc(F)c(F)c1 1857807214 WEOOHGLNWNCOJH-WKIKZPBSSA-N 449.486 4.777 30 10 IJEE COc1ccc(OCCCSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860465996 ASAZTSBCFOZFKP-UHFFFAOYSA-N 427.913 4.944 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2cc(OC)ccc2OC)n(Cc2ccc(C)cc2)n1 1862351566 XBFGLYPQUFUBOL-UHFFFAOYSA-N 431.536 4.738 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862414675 GAAZGWGQOOXNTC-QFIPXVFZSA-N 445.425 4.620 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCn2ccnc2)c1 1862441854 DJPPITWUYPMBFM-OAQYLSRUSA-N 435.911 4.514 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862446448 SMNCWPYBCJSGOP-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F 1862467657 BLWNFVZAGCBZJR-XIKOKIGWSA-N 432.289 4.965 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@@H]2c2ccc(C)cc2)cc1 1862533766 OIUUYGROFKWTEM-XMMPIXPASA-N 434.580 4.868 30 10 IJEE Cc1cc(C)cc(OCCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2)c1 1862588392 OQFRJPCEBRJFDE-DEOSSOPVSA-N 443.499 4.666 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1 1862591821 OYVQALXQLAFNIL-OAQYLSRUSA-N 443.927 4.831 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc(Cl)cc(Cl)c1 1862631595 DKHATJBEGWVQLF-LJQANCHMSA-N 448.302 4.956 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862673916 QZSOTTSUEKIOSM-HXUWFJFHSA-N 425.456 4.847 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862682374 IUWNJVFLBBDRDL-SFHVURJKSA-N 438.282 4.747 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(C)cc2)c1 1862699550 VJSBNGFYFBJYCE-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CSc1ccc(C)cc1 1870306102 URPBNBMJKWDCFR-UHFFFAOYSA-N 427.566 4.890 30 10 IJEE C#CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871006650 POOWADZQVUPOOD-DEOSSOPVSA-N 428.532 4.627 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872138227 PWQSODTYOWGWHV-XMMPIXPASA-N 434.561 4.942 30 10 IJEE COc1cccc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 1872762650 SUGGOEXMZIQPAQ-FQEVSTJZSA-N 447.560 4.722 30 10 IJEE CCCOc1c(/C=N/Nc2oc(-c3ccc(Br)o3)nc2C#N)cccc1OC 1873462229 UHICAVDHICNBNG-SSDVNMTOSA-N 445.273 4.812 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(NCCCCN(CC)CC)ncnc21 1873630328 WGRVFVCXSPDMKD-UHFFFAOYSA-N 434.588 4.712 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccccc1OC 1874221536 POZWYGCBUGWZSB-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2O)cc1 1874427155 TWPHGJKYUOHAHH-MFKUBSTISA-N 443.532 4.572 30 10 IJEE CCCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2ccc(F)cc2)c1 1874471465 LNLNUPZAUMNDFT-BUVRLJJBSA-N 428.533 4.569 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccccc1F 1874476128 DKRRGYWZEIFKFT-MFKUBSTISA-N 439.560 4.935 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(OC)ccc1OC 1874477322 VEQIZRGJXCNQRQ-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)cc1 1875143575 GWMYAWXPQOZBSW-VGOFMYFVSA-N 432.472 4.893 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1891579631 OUKNONRCUZAXCE-ZDUSSCGKSA-N 449.370 4.999 30 10 IJEE C[C@](Cc1cc(C#N)cs1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952058008 BGYVFWQYOQYVIL-XMMPIXPASA-N 432.501 4.544 30 10 IJEE CC(C)(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccc(C#N)o1 1952446131 HSVKRSBVYOZPQQ-JOCHJYFZSA-N 444.487 4.811 30 10 IJEE C#CCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CCC1 1984778119 BTBXWTKZODIYHE-BCHFMIIMSA-N 444.575 4.954 30 10 IJEE C=CCC(C)(C)OC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2014036505 SIKAUIAYQKZHGU-UHFFFAOYSA-N 430.589 4.834 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2037929193 FZDKCVLZUPLNDZ-PHTYHVAFSA-N 442.648 4.616 30 10 IJEE Cc1cc(O)c([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2080003020 GXMHMGHZWNBSOM-KRWDZBQOSA-N 449.336 4.979 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](NC(=O)OC(C)(C)C)COC1(C)C 2081878263 ZYDRXTXDTYROGH-MHECFPHRSA-N 445.560 4.701 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441471 DEDSVQOKTLYCKK-INIZCTEOSA-N 426.330 4.907 30 10 IJEE C=CCC1([C@H](NC)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266712033 SADCFOYFMOXFNW-QGZVFWFLSA-N 425.367 4.531 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](O)C#Cc1cccc(Br)c1 2278743725 JMGSIWPYGSAOLT-IAGOWNOFSA-N 442.419 4.587 30 10 IJEE C=CC[C@@]1(COc2nc(C)nc(C)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2287838048 QEUMTSZJEGZZGU-HXUWFJFHSA-N 440.382 4.828 30 10 IJEE COc1cc(C=C2SC(=Nc3ccccc3Cl)NC2=O)cc(Br)c1O 2294064391 OYJUXOCIPXZXAI-UHFFFAOYSA-N 439.718 4.708 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@]1(C(=O)C#Cc1cccc(Br)c1)C2 2296220339 XGLCEBXUODZXSB-RQXXJAGISA-N 430.342 4.548 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296273378 OOFKXKFHIWWGFS-AQOAWAETSA-N 432.358 4.843 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1cccc(NC(=O)OC(C)(C)C)n1 2296279417 OPGLIAPFMMMKJI-QGZVFWFLSA-N 430.346 4.893 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2296290352 BSCBMODTWAWCKZ-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE SC[C@H](COCc1cc(I)ccc1Br)C1CC1 2302772812 RZMZJFGKUGFBHV-NSHDSACASA-N 427.145 4.526 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c(OC)c1 2314430113 WQOKHCQBZUCMLY-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cccc(Cl)c1 2321061640 PRERXQHXCYSXKA-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE CCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccccc1OCC 2322192772 NQJQHYMZZDROQD-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE O=C(C=Cc1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc2c(c1)OCO2 2322687761 LUVLTYBBNSJHLV-UHFFFAOYSA-N 426.428 4.539 30 10 IJEE Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2322833136 XQGHOQWEHWZAAD-UHFFFAOYSA-N 434.275 4.749 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)c1 2322884567 SIWSJEIYQQQDSE-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE CCCOc1ccc(C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1OCC 2323228886 RTHGWVZFHWFXQE-UHFFFAOYSA-N 426.904 4.519 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)cc1OC 2323289281 WKZMUYIOBZGRRD-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 2323674918 NMCFCYQSJJNUIS-SFHVURJKSA-N 430.460 4.747 30 10 IJEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)cc(Cl)c1O 2326668769 DDPVNSUAPOGLEE-UHFFFAOYSA-N 441.944 4.644 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(O)c(Cl)c1 2326763532 BOXVQXMMUYYOAO-UHFFFAOYSA-N 444.944 4.551 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)cc1 2328577393 MUIMJEKHSHHGMK-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(OC)c1OC 2329837256 MVVAMHDTXFESEB-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2sccc2C)cc1 2331123005 PXJYAYREIUWBHU-UHFFFAOYSA-N 439.488 4.588 30 10 IJEE Oc1nc(CSc2nnc(C3CCC3)n2N=Cc2cccc(F)c2)nc2ccccc12 2331535305 HJTIZZDNZMCNCL-UHFFFAOYSA-N 434.500 4.508 30 10 IJEE COCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Br)ccc1F 2331558942 VXCCUAHQZFBCLL-UHFFFAOYSA-N 449.349 4.809 30 10 IJEE CCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1c(Cl)cccc1Cl 2331661630 SQBPDWWCUSJMNS-UHFFFAOYSA-N 429.373 4.711 30 10 IJEE CC(C)CN(CCNC(=O)OC(C)(C)C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588398 IDISXBPXPXGBMT-OUKQBFOZSA-N 445.413 4.713 30 10 IJEE CC1(C)OB(c2cc(Nc3ccc(Br)c(Cl)c3)ncc2F)OC1(C)C 2345741410 PKVAGYSFDMTTQL-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362709005 NNVMLTAZJDCLKR-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2362723144 XVBRJJQGDJCDOL-OALUTQOASA-N 437.378 4.558 30 10 IJEE Cc1cc(CNC[C@H]2CN(Cc3ccccc3)C(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369683207 XAWGXBVLNNUUOC-DEOSSOPVSA-N 448.460 4.685 30 10 IJEE Cc1cc(CN2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369729063 XYVRZAHBKFTXSM-RJGXRXQPSA-N 448.460 4.778 30 10 IJEE CCN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)Cc1cccs1 2377311199 SESJNGNWMYPALC-UHFFFAOYSA-N 436.224 4.832 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc3ccc(OCC)cc3s2)nnc1C(C)(C)C 20839567 IPXZPWAKMHJOFU-UHFFFAOYSA-N 431.587 4.501 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c(Cl)c1 34943185 IHGXZMQJNLJRRY-LJQANCHMSA-N 434.319 4.835 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 39827095 URYODLLKEQGZAO-NRFANRHFSA-N 443.927 4.600 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 41287725 XFLDIGQKGZPAPW-QRVIBDJDSA-N 429.472 4.905 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN(Cc1cccs1)CO2 41648387 GGYHSHMGPQLCHF-JMIUGGIZSA-N 434.473 4.933 30 10 IJEE Cc1ccc(N/N=C2\C(=O)C(C(=O)Nc3ccccc3C)=Cc3ccccc32)c([N+](=O)[O-])c1 137007314 ZNLGWAUDRMDHTH-NFFVHWSESA-N 440.459 4.633 30 10 IJEE in-vitro COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922056 UFBPBQZXYAXSAG-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2C)c1 169937140 QWFNYVBEEXTAAD-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945608 OAZSAVIURZFKAQ-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(O)cc2)c1 169962412 DAELXQILHVRLGF-QHCPKHFHSA-N 445.471 4.588 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@@H]3c3cccnc3)nc2c1 170014097 DUDWUPXOIZMXQN-QFIPXVFZSA-N 449.470 4.531 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(F)cc2)s1 170064507 SKNUPVRDJXRDHR-SFHVURJKSA-N 444.434 4.960 30 10 IJEE CC1CCN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)CC1 170066212 HFSRJOYIMOFLSQ-UHFFFAOYSA-N 440.330 4.881 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1 170122588 GJRTVPOPOFYYSY-VOIUYBSRSA-N 441.483 4.802 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1 170138236 SLQMLIDDXBWHLR-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccn1)c1cccc(Cl)c1 170169449 XXQAMLNBAVMITI-LJQANCHMSA-N 426.806 4.796 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170193407 CCJUEYKSVWCKCF-NRFANRHFSA-N 445.862 4.655 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccncc2)cc1 170205198 HYQRPWWLKMMSON-QHCPKHFHSA-N 444.487 4.667 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2)cc1C(C)C 170222364 ZWPOSPDSDRYTBL-QHCPKHFHSA-N 437.536 4.822 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)cc1Cl 170264267 VISBLFUIVYIRRM-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(CC)cc2)c1 170265712 URCWMSFPAZCCFF-LADGPHEKSA-N 449.547 4.795 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(CC)cc2)c1 170265714 URCWMSFPAZCCFF-ISKFKSNPSA-N 449.547 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)cc1C(C)(C)C 170292837 VXHFFYNUUGHINV-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(C)o2)c(C)c1 170306054 WJYJOIJVMFKAEB-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)[C@@H]3c3ccc(C)o3)oc12 170307438 BMWMVPXKTHHAFQ-OAQYLSRUSA-N 444.443 4.516 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1ccco1 170316404 BLNHYLBHGNPEMM-FQEVSTJZSA-N 435.501 4.753 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1C1CCCCC1 170317592 XXBCTEQDUTTWBU-IBGZPJMESA-N 425.506 4.696 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCC)c1 170324453 PCCJQZAYXHKYNR-HSZRJFAPSA-N 435.520 4.947 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1ccncc1 170422014 RPKNFIPYTLYGFN-OAQYLSRUSA-N 436.870 4.695 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(N(C)C)cc2)c1 170446774 YOXCWRZIQIHPOY-QFIPXVFZSA-N 436.552 4.662 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@@H]1c1cccnc1 170481700 YHUISMXQYNILPE-MRXNPFEDSA-N 445.903 4.999 30 10 IJEE N#Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)o1 427991488 YPKGHYUVHISQTI-UHFFFAOYSA-N 436.276 4.511 30 10 IJEE C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 438617552 BNARWGQFPWPHIF-JEYLPNPQSA-N 434.323 4.534 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 460779654 ABCHQJVKCVSJBP-FQEVSTJZSA-N 439.567 4.985 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(OC)c5)[C@H](C)C4)[C@H]3C[C@@H]12 504197496 QJALQDMFCVLXKM-WTZWTYFESA-N 438.612 4.520 30 10 IJEE biogenic C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(F)(F)F)C1 508873867 OTKJBSAKBWNLGL-LLVKDONJSA-N 433.247 4.811 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@]2(C1)OCc1ccccc12 508954946 COMANOBHYVJQIA-JOCHJYFZSA-N 437.341 4.529 30 10 IJEE Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 526645428 LIEIZVWNNIPVOK-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(Nc3ccccc3C#N)=C(SCc3ccco3)C2=O)c1 526666963 DUNILSIVNQYYAL-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccccc1Cl 526830565 NVIWKTGECUKNBC-UUYOSTAYSA-N 432.933 4.828 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 538956059 JPZURJHEEDMNLK-UHFFFAOYSA-N 425.410 4.876 30 10 IJEE COc1ccc(CCN(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)cc1 586168384 BZVLRYMPPARBBQ-UHFFFAOYSA-N 440.952 4.654 30 10 IJEE COc1c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)nn1C 698459143 VARAQOQMVXGBMU-HNNXBMFYSA-N 435.322 4.506 30 10 IJEE Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 739595230 GLLCRFUDGPQYNP-QGZVFWFLSA-N 449.601 4.972 30 10 IJEE COCCN(C(=O)NCc1ccc(OC)c(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 746775709 OTYSAYOZCKJIMI-HNNXBMFYSA-N 435.446 4.505 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)c1ccccc1 757616699 FOYVNVAMYZTRBC-QYNZQUMISA-N 430.529 4.594 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CC[C@H]2C)c1 795185872 YQMHVPJUZJBQCK-IPHXSNPTSA-N 435.524 4.566 30 10 IJEE N#CC1CCC(CNC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)CC1 799735146 LLLFQNWEUDACQA-UHFFFAOYSA-N 446.370 4.823 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 802562521 PKIOJWLEKWRZEY-MJGOQNOKSA-N 443.592 4.861 30 10 IJEE C=CCC[C@@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1 807248970 HWWGDHDVTIXJCM-JOCHJYFZSA-N 429.545 4.727 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C\c3ccccc3)n2)cc1Cl 1084534726 DYAUQQTVXRQVEV-ZXPANVQOSA-N 426.933 4.608 30 10 IJEE C=CCN(C(=O)[C@H](C)c1ccc2c(c1)OCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124415015 GFWJJKQNYFLEJV-CQSZACIVSA-N 437.477 4.770 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1125612664 PHKBSWWIYHBMIX-IBGZPJMESA-N 430.545 4.784 30 10 IJEE C#CCN(C(=O)[C@@H]1Cc2ccc(Cl)cc21)[C@H]1CCOc2ccc(Br)cc21 1126231431 PNZDKTJVHZPFLP-MJGOQNOKSA-N 430.729 4.728 30 10 IJEE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1 1131371204 CLHCEUCIOWRQCZ-WOJBJXKFSA-N 445.563 4.926 30 10 IJEE CCCCc1ccc(N2C[C@@H](C(=O)N3CCC(c4ccc(C#N)cc4)CC3)CC2=O)cc1 1134270401 FCVCJMABGJPJND-DEOSSOPVSA-N 429.564 4.660 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1136514702 QAOKVLQUCXOORB-UHFFFAOYSA-N 447.457 4.784 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 1141853418 NUSWYNXHQUYZMB-GOSISDBHSA-N 438.609 4.787 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 1148732805 FYVCFJZHFZGMGK-NRFANRHFSA-N 434.552 4.583 30 10 IJEE C#C[C@H](NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Br)cc1 1159634744 RJHNCJGCFDRWNJ-IBGZPJMESA-N 443.341 4.681 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCc2cn3cc(Br)cc(C)c3n2)c1 1199787060 MAFJHPZYOBKGKY-UHFFFAOYSA-N 429.318 4.682 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 1221200187 CWKUMLLTPASKTC-IBGZPJMESA-N 446.334 4.571 30 10 IJEE C#CC[C@@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1 1228393946 USFDBNCZCUHSSZ-LSDHHAIUSA-N 432.387 4.997 30 10 IJEE C#CC[C@@H](NC(=O)NCc1cc(Br)ccc1Br)c1ccccc1 1230566615 VDOSZITXIDNRQK-QGZVFWFLSA-N 436.147 4.775 30 10 IJEE C=CCC[C@@H](NC(=O)NCC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1230693079 AYELWRLXIIJVOZ-GOSISDBHSA-N 441.494 4.879 30 10 IJEE C=CCCC1(CNC(=O)N(CCO)Cc2cc(Br)ccc2F)CCCC1 1230920201 VGPZGOVVBNYJOM-UHFFFAOYSA-N 427.358 4.619 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccco1 1264219704 VTWAEJWQNWPINW-UHFFFAOYSA-N 447.358 4.916 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ncc(-c2ccccc2F)o1 1264280749 FHQARPWHVMSRMA-UHFFFAOYSA-N 439.439 4.543 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1264314688 QWUOETYUNAJUCY-UHFFFAOYSA-N 430.327 4.709 30 10 IJEE C#CCN(C(=O)c1ccnc(-c2ccco2)c1)[C@@H]1CCOc2ccc(Br)cc21 1265210598 RKEUSCDQJJVKFL-LJQANCHMSA-N 437.293 4.703 30 10 IJEE C=CCN(C(=O)c1ccnc(-c2ccc(Cl)cc2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1269219801 NYLQGEWUDBLFPN-QFIPXVFZSA-N 449.938 4.600 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCOC[C@@H]3c3cc(F)cc(F)c3)c2)cc1 1279380555 HDHKIPMEEQCQHE-XMMPIXPASA-N 434.442 4.629 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCCN1CCCC[C@H]1C 1286418934 TWDFPBNKGLEDIZ-OAQYLSRUSA-N 438.019 4.716 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1286510248 NLQWDZUJJPUWKF-UHFFFAOYSA-N 446.045 4.720 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1286607033 JGEYDWBYGGKRLN-HXUWFJFHSA-N 434.588 4.596 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1286619336 ACEYOZBAVRADHE-GUYCJALGSA-N 439.785 4.885 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCC2)C1 1286682355 LJHLRAIZWOMGPR-UHFFFAOYSA-N 437.407 4.885 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1286708317 CSYABOCSEGGKCE-UWJYYQICSA-N 442.560 4.705 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccc(OC)c1 1286718081 XAPWYVQXQBEJQP-UHFFFAOYSA-N 444.377 4.644 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1 1286749620 BBEMIIPZMGQSIM-HXUWFJFHSA-N 425.627 4.804 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2CCC[C@@H]21)C(C)C 1286750609 DTIIMEJFRLNZTP-OEMFJLHTSA-N 434.632 4.726 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286829528 IYJCOZCUMXTWEB-LJQANCHMSA-N 443.020 4.765 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CCCN1C(=O)OC(C)(C)C 1290838702 FXRTVJOXKOZMNS-DEOSSOPVSA-N 425.529 4.857 30 10 IJEE C=CC1(CC(=O)NCc2ccc(-c3cccc(OC)c3)cc2)CN(C(=O)OC(C)(C)C)C1 1293414752 GBEVSORVRAVNOI-UHFFFAOYSA-N 436.552 4.792 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCC(F)(F)F 1300277023 VCYRKFNTCFSXKG-LLVKDONJSA-N 433.247 4.647 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1 1300277849 CRVHKYLSASDRND-UHFFFAOYSA-N 432.867 4.781 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1CC 1300371264 BATPVHOOYNAKDL-GOSISDBHSA-N 431.378 4.802 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1300423872 XGVLDUWEGRNXPL-WOJBJXKFSA-N 431.005 4.785 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)CC1 1300743123 ZBMWIVBITLFYOO-UHFFFAOYSA-N 428.911 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(CCOC)CCC1 1300816532 OIUHKYMTPDDZSH-HSZRJFAPSA-N 442.991 4.709 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1300883415 APAWOQWQKQLBOL-UEXGIBASSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1300891173 JTNRVQYZUGFMKR-FFHOAYQKSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccccc1OC 1300906365 OMODMSNYFVSYJO-KRWDZBQOSA-N 441.963 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1301155063 FWYQYUOENRQXCP-UHFFFAOYSA-N 436.648 4.567 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C)C1 1301187191 RTHSYAGAZBQRDX-OALUTQOASA-N 449.665 4.691 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1Cc2ccc(Br)cc2C1 1301189975 KNXXCHRIUPBPGI-UHFFFAOYSA-N 438.373 4.903 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1301194280 GXBKAZNQAGYOON-YLJYHZDGSA-N 437.419 4.516 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301259715 PSZVJVJYFCKJMC-GOSISDBHSA-N 438.494 4.537 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@@H]1CCOC1 1301373572 YWTBYBQNEUTGGN-LJQANCHMSA-N 435.597 4.982 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1CC(=O)N(C)C1CCCCC1 1301406923 YCUUEFRVOOTRQM-UHFFFAOYSA-N 447.583 4.564 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc([C@@H](C)O)cc1 1301956212 GLTPMLHESMJFII-RCCFBDPRSA-N 449.624 4.829 30 10 IJEE C=CCN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350013050 RRDOSWARWKDWJL-HXUWFJFHSA-N 448.548 4.759 30 10 IJEE Cc1nc(NC(=O)c2cc(C)n(-c3ccccc3Br)n2)sc1SCC#N 1350691105 FBZYXYUFVCOOMQ-UHFFFAOYSA-N 448.371 4.576 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2ccccc2OC)c(C(=O)OCC)c1C 1352311782 LAFOIVAEODKMAH-CQSZACIVSA-N 445.537 4.717 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F 1352319341 QVIFFWQFGSBWPZ-GJZGRUSLSA-N 438.259 4.850 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CSc1ccc([N+](=O)[O-])cc1 1358208810 UJOFODWCOILAEQ-UHFFFAOYSA-N 439.306 4.803 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1358908605 CZMYIQKHWAYGHS-QHCPKHFHSA-N 449.643 4.850 30 10 IJEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccsc1)N(CC)CC 1358945653 PHEVWZHPVCUGBA-HSZRJFAPSA-N 446.624 4.651 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[C@@H]1CCCCO1 1359003531 OJOPJUKNMBSLIF-ICSRJNTNSA-N 426.630 4.940 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCc2cccnc21 1359004106 JXWLYAAKIZODPG-GOSISDBHSA-N 435.959 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1359091699 QTBATAJHVPNSMR-LGKPFJOYSA-N 438.616 4.805 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1359160312 QYIABLFCAFICFL-PZJWPPBQSA-N 447.549 4.861 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1359178556 VBJABFPVCVYVBX-REWPJTCUSA-N 437.632 4.704 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1359193470 FAFIIJJZTUNXJS-OAQYLSRUSA-N 447.974 4.723 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1359227730 KAKUDKGATCIXPK-QHCPKHFHSA-N 435.616 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1359268021 AFMZTALRFATLPF-OAQYLSRUSA-N 434.540 4.549 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1Cc1noc2c1CCCC2 1359274772 YSYHDCAYKFUREK-UHFFFAOYSA-N 439.947 4.604 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1359290621 JPTCWUXWJBJBPR-GUDVDZBRSA-N 429.634 4.840 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@@H](C)C1CCC1 1359342858 GISWUWHJALUBSW-UWJYYQICSA-N 428.602 4.725 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCOC1CCCCCC1 1359475297 HLDSOJWKZLLEHR-LJQANCHMSA-N 434.588 4.685 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1436963252 AXAYDEHSWOGVTC-KRWDZBQOSA-N 425.467 4.778 30 10 IJEE Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1438345224 IBNWMGKTVKSEIW-UHFFFAOYSA-N 440.425 4.503 30 10 IJEE C=C(C)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c1 1439928884 BQYXMFXVHYRERS-UHFFFAOYSA-N 431.521 4.745 30 10 IJEE C=C[C@@H](C)ONC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1452740974 WFBUTMQFUVFZLF-MRXNPFEDSA-N 432.476 4.554 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCC(=O)c3cc(Br)ccc3OC)cc21 1456536386 ZMAMABPSUMXGPU-UHFFFAOYSA-N 442.313 4.595 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 1456891018 AEYUZHONYTXWCH-OLRZCDJHSA-N 437.348 4.586 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)[C@H]1CCCO1 1459222712 IGGPCZHVOMLQPY-SIKLNZKXSA-N 435.321 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1459628152 IWSXYQHKVICGDB-RVFVQDDPSA-N 438.999 4.653 30 10 IJEE N#Cc1cccc2c1CCN2C(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 1461039954 GOUZYLMPPRSWHP-UHFFFAOYSA-N 431.492 4.631 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1465331166 GABDJJTUOQFBOS-JTQLQIEISA-N 433.386 4.586 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC(F)F)nc1 1466318971 VUCPPYMGQSBLMQ-UHFFFAOYSA-N 430.224 4.805 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)C(=O)OCC 1468125711 OOCOVVWDCGRSLB-MRXNPFEDSA-N 431.945 4.677 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1470068180 DJSMCEINTRDIFH-IBGZPJMESA-N 434.342 4.946 30 10 IJEE C=CC(C)(C)CNC(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1 1470193608 PRUUEAIUVRDNDY-IBGZPJMESA-N 426.342 4.610 30 10 IJEE C=CC1(CC(=O)N2CC3(CC3)c3ccc(Br)cc32)CN(C(=O)OC(C)(C)C)C1 1470242878 WLZUHACJLOPHGV-UHFFFAOYSA-N 447.373 4.641 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)c1ccc(Br)cc1 1470663471 OHUPPDTZOXNMNA-SFTDATJTSA-N 427.342 4.514 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3F)cc21 1472163475 QCWULBJPZXIRMF-HXUWFJFHSA-N 442.466 4.705 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)c2noc(-c3ccccc3)n2)cc1OC 1474069848 ROWNXBYDCKBKNR-AWEZNQCLSA-N 444.329 4.923 30 10 IJEE Cc1cccc(C)c1OC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 1475076890 DVFQPRNTRJYUFH-OAQYLSRUSA-N 440.952 4.927 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br 1476877791 KHIUQSPFMWGVSM-LKFCYVNXSA-N 441.219 4.590 30 10 IJEE C[C@H]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 1493452467 DPLJNLOTJKJTCR-RBUKOAKNSA-N 438.595 4.640 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@](C)(C#N)C1)OC 1497210391 HLJPEEJCGZWHSY-UQBPGWFLSA-N 449.555 4.672 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCCC[C@@H]2C)cc1 1497901276 GFDWMRWDILQDNE-NRFANRHFSA-N 434.632 4.902 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CC2)C1 1503326525 DTURCRMGLSSEHQ-IBGZPJMESA-N 427.643 4.824 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507546999 SVXLDWQEWTWWJC-GJYPPUQNSA-N 438.469 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507547736 PTOWXYFLKPXBAQ-XGHQBKJUSA-N 431.005 4.663 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Br)s1 1507566248 IALYAZKFNPITGH-UHFFFAOYSA-N 444.402 4.528 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CCC 1507794450 FNDPHSBBMSHNFU-DAYGRLMNSA-N 436.398 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cnc(C)s1 1507798505 VSEBRZLPJRPZLH-UZLBHIALSA-N 444.004 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CC)CCOCC1 1507818499 TZFJGEHOJASTED-UHFFFAOYSA-N 434.588 4.740 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1507838355 QMTXGNRCFFOTNY-AUSIDOKSSA-N 438.616 4.839 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccc(O)c2)CC1 1507881021 OXNYBZNHUZSFAD-UHFFFAOYSA-N 431.359 4.679 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccnc(SCC)c2)CC1 1507887255 LKXLGIINBQGESE-UHFFFAOYSA-N 435.597 4.611 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1507928136 APILTLXCXMKMEK-UHFFFAOYSA-N 433.959 4.513 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1507944060 LZPDLSSQFOBVLV-QFBILLFUSA-N 433.394 4.843 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(Cl)cc1F 1507970959 NSDZMPJTRRYJTC-UHFFFAOYSA-N 438.732 4.509 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1508007950 IPFMSZXAAIHMRE-HXUWFJFHSA-N 436.579 4.973 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1Cc1nc(C(F)(F)F)cs1 1508011899 WYPDVYLKOOVFMN-UHFFFAOYSA-N 443.520 4.592 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCC[C@H]1CC 1508012922 HSWKPRXMWDTXGC-JOCHJYFZSA-N 430.600 4.936 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@H](C)c1cccc(C)c1 1508025854 DDJJEEAXXIYJLV-FQEVSTJZSA-N 428.540 4.675 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1cccs1 1508073723 OXSOXFUCRMVCEA-PMACEKPBSA-N 435.597 4.525 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)o1 1508106348 XKSHRJGIAQWTGH-UHFFFAOYSA-N 443.345 4.761 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)c2ncc(C)s2)C1 1508119945 XYVPYRSLRNPVLY-KXBFYZLASA-N 444.004 4.948 30 10 IJEE Cc1nc(SCC(=O)NCCc2cccc(OCc3ccccc3)c2)c(C#N)c(C)c1C 1518180791 GDTNVGXHNUMCLP-UHFFFAOYSA-N 445.588 4.909 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC 1519864702 IJBJMTIRAMXHGE-UHFFFAOYSA-N 427.479 4.508 30 10 IJEE C=CCOc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 1520958378 RHQHJBLYHUZIRZ-RUZDIDTESA-N 428.532 4.737 30 10 IJEE C=CCN(C(=O)c1oc(=O)c2ccccc2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1522119989 XVOZZFPDPDDWNL-UHFFFAOYSA-N 447.472 4.966 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1522166039 LBSKSMCBCHWPDO-GCJKJVERSA-N 429.944 4.605 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3c(Br)cc(C)cc3C2)cc1OC 1523838652 VUBYEZNMZIHEOP-VURMDHGXSA-N 442.353 4.929 30 10 IJEE O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1525973689 BHULJEMIRJRUAK-OAHLLOKOSA-N 448.338 4.789 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1526856166 DRBSOXXOPPBLOY-DHZHZOJOSA-N 431.677 4.795 30 10 IJEE C#CCN(C(=O)c1cc2ccncc2s1)[C@H]1CCOc2ccc(Br)cc21 1529627625 SHLIDMWLNIPDFO-INIZCTEOSA-N 427.323 4.658 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1530359373 RPGHAVJRHOWVGE-XMMPIXPASA-N 432.564 4.639 30 10 IJEE C#Cc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)c1 1532232744 QNOBSANBHIYNMH-SFHVURJKSA-N 429.314 4.635 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 1534330122 CCJPDEZCSACZMI-UHFFFAOYSA-N 433.471 4.755 30 10 IJEE C#CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 1536278780 FZNCPPUMMLPRIG-QHCPKHFHSA-N 431.536 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1ccc(C)cc1 1538973461 MQOZNJSABKNGEF-HOTGVXAUSA-N 426.362 4.606 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)F 1539391663 GSKXXPBHUXVHJH-QZTJIDSGSA-N 438.469 4.538 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCC(C)(C)C)CC1 1539431625 TXSUPWZBHCNGCT-JOCHJYFZSA-N 437.632 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOc1ccccc1 1539570332 SLTWVPAHPNUUSO-XLGIIRLISA-N 436.600 4.658 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C#N)o1 1539652433 SUWIDOCZVZHNAT-UHFFFAOYSA-N 444.308 4.762 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1539856404 ZSXHLLQANMWEOG-UHFFFAOYSA-N 449.502 4.846 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](OC)[C@H](C)CC)CC1 1539859090 KBMOGWPFPJTHKV-UYAOXDASSA-N 430.618 4.797 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C2CCC1(C)CC2 1539953888 PCHLDIUVRZKWHH-UHFFFAOYSA-N 426.561 4.849 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1540126221 HGTPYEGQCUNBEI-OAQYLSRUSA-N 437.588 4.748 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H](c1cccnc1)C(C)C 1540126686 MXPCQJLRNKJPSC-HSZRJFAPSA-N 439.567 4.763 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC[C@H](C2CCC2)C1 1540859462 FRDQOZGYWZBQBB-HXUWFJFHSA-N 445.007 4.690 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1540915586 MLNNNFLGRQELLW-UHFFFAOYSA-N 449.665 4.548 30 10 IJEE C#CCN(C(=O)Cc1cncc2ccccc12)[C@@H]1CCOc2ccc(Br)cc21 1543685550 IKLRXSCNPMEZFQ-OAQYLSRUSA-N 435.321 4.525 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2F)nnc1-c1ccc(Cl)cc1Cl 1543755777 XNYIUEGOBPYIKE-JKSUJKDBSA-N 443.375 4.927 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CC2)C1)SC 1545792455 ASNSXHBPHKZNEJ-FQEVSTJZSA-N 439.629 4.887 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1556618094 AFSVAWMKHGMLEP-FQEVSTJZSA-N 435.549 4.955 30 10 IJEE C#Cc1ccc(CNC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1556666092 QPPVUPZVRHMEPP-UHFFFAOYSA-N 438.527 4.555 30 10 IJEE C=CCN(C(=O)CN1CCOC[C@@H]1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1559545412 XLWCINMLGPRNMS-HNNXBMFYSA-N 440.396 4.747 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)Cc2nnnn2-c2ccc(OC(F)F)cc2)c1 1559630459 RRMWZMYSCHFOLT-UHFFFAOYSA-N 437.475 4.513 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](Cc2ccccc2Cl)c2ccccc2)c1 1559710529 KVPJXKDNJCISEX-HSZRJFAPSA-N 431.923 4.543 30 10 IJEE C#CCN(C(=O)Nc1cc(F)c(SC)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1562616345 VVKDBUKEZOGROW-UHFFFAOYSA-N 439.528 4.553 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CCCC1(C)C 1568326946 XDVDHOYXIJOAED-QFIPXVFZSA-N 442.581 4.703 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)c1 1583057858 CNKFZUCIGKQFDF-UHFFFAOYSA-N 445.906 4.908 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)c1 1583564644 VIAGXSIMPPMDMB-GOSISDBHSA-N 434.561 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccnc1 1587561937 JBQFIHYLIRGOAZ-RTBURBONSA-N 437.975 4.784 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1nccs1 1589150828 LXSQAFRSYJCNLH-SEPYTNNBSA-N 439.560 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H](OC)[C@@H](C)CC 1589192359 QIBDSXCUMJENRX-XWFZLUIHSA-N 445.405 4.761 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1589608059 BCIQBUNZNOFNQE-RTBURBONSA-N 446.039 4.889 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[C@@H]21 1593763269 FWNAWPWZZZVRAK-YJBOKZPZSA-N 437.371 4.745 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 1593770309 YOLZAFADPLYLAE-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1593781885 APGCBDKRQQWANE-KRWDZBQOSA-N 445.489 4.633 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 1594616642 SKVJWRYWNYYUML-FQEVSTJZSA-N 443.592 4.978 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@@H]1C(=C)C 1594914251 YUOABAPTSOCZFZ-AUSIDOKSSA-N 434.540 4.721 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1cccc(F)c1)C1CC1 1595038385 VWGVWZMVRHJIQR-HNNXBMFYSA-N 427.911 4.755 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(OC2CCCCC2)c1 1595212901 UMMAFCDBXVSNTG-OAQYLSRUSA-N 437.588 4.505 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccc(C)o2)ccc1Cl 1595527705 DFXZUMRJLWFGIZ-UHFFFAOYSA-N 444.940 4.553 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1596821540 CUQAXDFNDHCRTG-QUCCMNQESA-N 444.624 4.569 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccccc1 1603510301 JKKNLFKKVFGPKJ-OLRZCDJHSA-N 437.348 4.586 30 10 IJEE C=CC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)C(=O)OCC 1611408070 FTIIXMOPVQCJKL-HIVNOOBXSA-N 426.516 4.959 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CC(F)(F)C2)c1C 1611824657 DMBPLMIOYGMAFC-IERDGZPVSA-N 433.478 4.522 30 10 IJEE C=CC#C[C@@]1(O)c2c(OC)cc(OC)cc2O[C@]1(Cc1ccccc1)c1ccc(OC)cc1 1615946069 APVVLJFCFCAUDP-VSGBNLITSA-N 442.511 4.620 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 1624371820 YCWZHCYDRZYNSA-SFHVURJKSA-N 435.524 4.724 30 10 IJEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1624973605 GIZHHTOZDWUVHK-CRAIPNDOSA-N 430.549 4.645 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)C(C)C 1627127520 IUTHIIDFTILVLS-INIZCTEOSA-N 449.311 4.776 30 10 IJEE C=CCOc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1OC 1628197296 JDIFEBUGSAWKNF-QGZVFWFLSA-N 430.342 4.727 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(F)F)[nH]n1)c1ccc2c(c1)OCCO2 1628565030 DIQPABNKFLAGRB-UHFFFAOYSA-N 441.434 4.530 30 10 IJEE C#C[C@H](NC(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1F 1632975413 YQRRMBYHGMVKAQ-SFHVURJKSA-N 442.947 4.731 30 10 IJEE CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 1634691244 APAVWSJLUALEJO-UHFFFAOYSA-N 449.532 4.537 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1635632232 NEMIJRRYCGFNJM-QILAJZQNSA-N 433.596 4.979 30 10 IJEE C#C[C@@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)c1ccc(Cl)cc1 1635894812 SAEQPZHQKSSJBX-QGZVFWFLSA-N 430.733 4.800 30 10 IJEE C=C(C)[C@H](NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccc(F)c(F)c1 1638962799 WCSHDKFLYOUYTK-FQEVSTJZSA-N 437.471 4.748 30 10 IJEE COc1ccc(OCc2nnc(Sc3ccc(C#N)c(C)n3)n2-c2ccccc2F)cc1 1639220140 DKXFAXJICKXEEP-UHFFFAOYSA-N 447.495 4.720 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c1 1643270009 MGVQGAMCPRSWQM-HXUWFJFHSA-N 445.485 4.582 30 10 IJEE C=CCNC(=O)c1ccc(NCc2cc(Br)cc(C)c2OC(F)F)cc1 1651183923 LZWUHFRDYKTJEF-UHFFFAOYSA-N 425.273 4.887 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)CCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652348948 HLLDGZVKRKTAHT-RRFJBIMHSA-N 433.643 4.554 30 10 IJEE C=C(C)COc1cc(CNC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)ccc1OC 1656672292 SBMMUOXDRCBCPQ-FQEVSTJZSA-N 429.866 4.843 30 10 IJEE C=CCOc1cccc(CNCc2cc(Cl)c(I)cc2OC)c1 1657871690 YYYKHVCPPGADEF-UHFFFAOYSA-N 443.712 4.808 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(Cl)cc1-c1nc(CC(C)C)no1 1659689824 OMXSZALXSAZTNL-UHFFFAOYSA-N 438.915 4.922 30 10 IJEE C#CCCS(=O)(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1666020659 FKOWBXUWLWLVOU-HSZRJFAPSA-N 428.557 4.910 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(OCCN(CC)CC)c1)c1ccc(Cl)cc1F 1666697438 LDDSDXBCIIXCKZ-HXUWFJFHSA-N 447.938 4.704 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccn(-c2ccccc2C(F)(F)F)n1 1671117387 BOJMRWNCKZTBHY-UHFFFAOYSA-N 425.414 4.983 30 10 IJEE C=CC(C)(C)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1672782566 RSLYIDUUCNISAU-UYAOXDASSA-N 433.568 4.678 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1 1677504022 FJWXEHYZMUTYMM-VQTJNVASSA-N 427.932 4.580 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cnc(O)c2ccccc12 1678356162 NOIZMLZKVWBABZ-UHFFFAOYSA-N 428.286 4.589 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](C)Oc1cccc(Br)c1)c1ccc(Cl)cc1F 1679589996 UBFPBTHBXDWNDB-KZULUSFZSA-N 439.712 4.683 30 10 IJEE CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 1681081878 CZRKTRBIDXTODF-RPWUZVMVSA-N 430.552 4.554 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CCCCOC)c1ccccc1)c1ccc(Br)cc1 1682303752 UAWSDPGTUPSUHJ-LEWJYISDSA-N 429.358 4.981 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@@H]2CC3(CCC3)Oc3ccc(Br)cc32)c1 1683339060 KSSPYHAHVRIHPC-LJQANCHMSA-N 425.326 4.676 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1)c1ccc(Br)cc1 1683512926 SKWKOAPFKBCCPC-NHCUHLMSSA-N 441.369 4.903 30 10 IJEE C=CCCC1(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CCCC1 1683984788 JUQJSGANLVCVNP-RTBURBONSA-N 443.554 4.878 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1689881567 UTHPLPDBLOKXPT-OAQYLSRUSA-N 435.959 4.593 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)Cc1cccs1 1690027067 YCUHBIRRIVNUBV-GOSISDBHSA-N 438.984 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC=CCO1 1690214657 RHSXIWNOHFXBRZ-PGRDOPGGSA-N 428.989 4.561 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690231481 CWFZGUAOOPGBTJ-MRXNPFEDSA-N 443.311 4.751 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690414684 GJTCMCCFESUDSM-SFHVURJKSA-N 431.625 4.574 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)C(C)C)c1ccccc1 1690441871 IDYWBZRGEXFWCT-JOCHJYFZSA-N 447.583 4.882 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1690444491 IHPSYNKWHIGSEZ-LJQANCHMSA-N 447.974 4.723 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@](C)(O)CCC(C)C 1690517793 PLDZTGRFIDSKEB-HXUWFJFHSA-N 439.373 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1690519448 JSHQEBDDZGDYSZ-DENIHFKCSA-N 445.405 4.843 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Br)cc2)n1CCOCC 1690574276 VDYGDZDIZBLFQL-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1N(C)CCCC1(C)C 1690588416 VJUYTZQANNXDLM-HSZRJFAPSA-N 430.600 4.792 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1692271303 CFLJXVCQBSHJOO-GMAHTHKFSA-N 434.632 4.810 30 10 IJEE CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CCCC1 1692870014 FQHXPGZAEPCGJZ-OAQYLSRUSA-N 448.615 4.528 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CC(C)(C)C2)cc1 1696140498 GYHQPMGDJOGLGO-XDHUDOTRSA-N 441.551 4.695 30 10 IJEE CO[C@@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cccc(C#N)c1 1697110272 GYJOXGFHRHLTSE-SJORKVTESA-N 435.597 4.674 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCSC(F)(F)F 1705606735 DNSFKQGGTJYJAV-UHFFFAOYSA-N 428.549 4.988 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(C)C)C1 1705654406 HEXWDKRFQYJXTG-AWEZNQCLSA-N 439.448 4.618 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@@H](C)C1CCC1 1705683803 DSEJSQYXYCOBHT-AWEZNQCLSA-N 434.338 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CCSC1 1705698048 ZBUDJHJJYBFASC-OGWOLHLISA-N 436.984 4.661 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@](C)(CC)C1 1705727559 MVZWWICRZFSBMB-HXUWFJFHSA-N 425.360 4.745 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1705827123 VHJVUDDNBAFNSF-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNC(=O)c1cccc(C)c1 1705837387 ZJVPCEPJPMLESE-UHFFFAOYSA-N 449.624 4.636 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cccc1OC(F)F 1705871388 IHOUSKITLTVXAL-UHFFFAOYSA-N 449.864 4.961 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@@H](C)C2)C1 1705921381 QYFHQMAPRBPSOT-ZHALLVOQSA-N 430.980 4.825 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)Sc2ccccc2)C1 1705927194 SIDYZRAHSPFXIM-FPOVZHCZSA-N 426.630 4.973 30 10 IJEE CC(C)CC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)CC1 1706370282 CCAHWXDGMPPNRL-INIZCTEOSA-N 434.371 4.807 30 10 IJEE CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708306228 OKGFFGADYYETBJ-UHFFFAOYSA-N 436.947 4.570 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)Cc1cccs1 1722387539 HHKMQOUQPYUDJN-FQEVSTJZSA-N 434.634 4.892 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCCN1CCC[C@@H](C)C1 1722418542 URCKULGJNIWKRU-OAQYLSRUSA-N 448.590 4.564 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCSC(CC)(CC)C1 1722534379 OZBCLHFTKWMDCJ-UHFFFAOYSA-N 432.609 4.713 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCCN2CCCC2)CC1 1722567748 JTIAFWZUOCEBTR-UHFFFAOYSA-N 429.559 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1722585784 JHFDLPJWFUKMTR-NRFANRHFSA-N 433.556 4.609 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1723363804 ASHOWJPFGRBDTP-XMMPIXPASA-N 444.023 4.840 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(CCOC)CCCCC2)cc1 1727379264 HSOXUKNYPHEYJL-RUZDIDTESA-N 439.579 4.936 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1740560596 MAHSWAXFCQSDJB-LEDOBFOHSA-N 425.646 4.613 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCCO1 1740712479 JRUHFNKHWMOKQV-NRFANRHFSA-N 426.630 4.614 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1740721386 HIJRFEVGKAGYNN-DENIHFKCSA-N 438.641 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCO[C@@H]1C(=C)C 1740728284 UCSNMJXUPWGZPC-AYPBNUJASA-N 428.939 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCS[C@H](C)C1 1740754363 RUHUOBGCRKSRRL-YJMBLLCNSA-N 426.630 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CSC 1740761640 XSVMTYSHASCBEX-DWLFOUALSA-N 447.048 4.835 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](COC)C1 1740787539 FSNQACWULNXYPQ-RBUKOAKNSA-N 444.645 4.587 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nccs2)CC1 1740820737 PFOGIMVGSJAEJY-UHFFFAOYSA-N 434.338 4.508 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1740842303 UZAZMUQOGFPXAM-NTKDMRAZSA-N 428.552 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1740847397 HJMZXPJFZVXXHT-HKUYNNGSSA-N 429.609 4.594 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@H]1CC)c1ccccc1 1740855677 KSTDHMHZELBKOI-ZXGKGEBGSA-N 438.616 4.987 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)(F)F)C1 1740863356 VUOGCNZYHOOJOO-LPHOPBHVSA-N 436.478 4.926 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1740865589 YIUZUJVXSHUUGS-UHFFFAOYSA-N 429.568 4.720 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)nc1 1740921200 NJCYLUYLKVLAES-UHFFFAOYSA-N 428.515 4.732 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C#N)CC1)C(C)C 1740927860 YCATWFJUAIVXQA-HSZRJFAPSA-N 436.579 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCCN1CCCC1 1740928316 CEKRDEYBRZNVOM-UHFFFAOYSA-N 448.384 4.511 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](C)C2)cc1 1740967963 VXHCTUBZDPDIRH-SFHVURJKSA-N 437.613 4.873 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@@H]1CC 1748760316 ZTKLGMLMEJALLP-AEFFLSMTSA-N 431.378 4.658 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H](OCC)C1CCCC1 1748779353 HEPGPYUXPIJAHW-HXUWFJFHSA-N 430.980 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](OC)C(C)(C)C 1749056591 MDMDKFPDZLNTNL-FDDCHVKYSA-N 432.515 4.600 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)CCc1ccccc1 1749090909 ZXOOGYBUFUHSNP-UHFFFAOYSA-N 446.780 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](COCC)C1 1749124233 LMCRONUQGMMINN-IPJJNNNSSA-N 445.007 4.833 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749218259 JOUJOWSKKVRWRH-JTHBVZDNSA-N 438.616 4.841 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C(F)(F)F)CC1 1749285371 HHINRLDSSFKNAQ-UHFFFAOYSA-N 435.494 4.892 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC=CCO2)CC1 1749348746 YGWYXDCYAAZFLZ-QHCPKHFHSA-N 436.600 4.902 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749461129 NTFTYZCQTJJROX-BGYRXZFFSA-N 448.558 4.794 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C(C)C)N1CCCC1 1749473929 SLRMGTWLHZOERC-HNNXBMFYSA-N 438.439 4.512 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CC[S@](=O)C(C)(C)C 1749587366 QPHGRBSBNGOHSP-HKBQPEDESA-N 440.613 4.629 30 10 IJEE C=CCSCCn1c(N(C)C[C@H]2CCCOC2)nnc1C1(c2ccccc2)CCC1 1749763917 NEZCDNKNNXGJFZ-HXUWFJFHSA-N 426.630 4.530 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C)C(C)(C)C 1750252356 GVJBHFUIQVNKNM-VAMGGRTRSA-N 439.629 4.599 30 10 IJEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCC(C)(C)C 1751359735 BNUSMUNPCBCPDW-UHFFFAOYSA-N 438.601 4.956 30 10 IJEE Cc1ccoc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1751373742 AOMLHXQIXXSKIE-XMMPIXPASA-N 437.519 4.546 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1760303078 AFUOASSOHFHKQX-CQSZACIVSA-N 449.393 4.743 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760303209 GQEVXILZDLNGMN-HZPDHXFCSA-N 433.394 4.765 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cc(C)cs1 1760323893 GOYPCGJGRRAMEP-WMZHIEFXSA-N 440.588 4.996 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(C#N)C1 1760324616 LQUVTLOXNMCUGY-DSBYRVASSA-N 449.599 4.585 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C)=C(C)C1 1760422551 NGQQXBPOWFQUEL-UHFFFAOYSA-N 426.561 4.874 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760430039 XQHPJWAONINLRG-KRWDZBQOSA-N 444.885 4.634 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1760430964 ZWHKZYJQMMPZLV-FYYLOGMGSA-N 429.653 4.967 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760466874 MJAFLZSKXLKEPG-DYESRHJHSA-N 432.996 4.974 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC2CCCC2)nc1 1760468923 NIBWSXOXRPNGBE-IFMALSPDSA-N 439.604 4.584 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1cnn(CC)c1)C1CC1 1760475488 JIKFGXMJJJMPFI-UHFFFAOYSA-N 428.993 4.643 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCCC(F)(F)F 1760479935 FILJTGATHZYCCU-UHFFFAOYSA-N 440.473 4.671 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCO[C@@H](C)C1 1760499554 BWZXUVKNOPLDSF-LEWJYISDSA-N 435.572 4.682 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C)[C@@H]1CC 1760515398 NATQQBNRPLDRHS-HOCLYGCPSA-N 444.004 4.740 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccc(C)s2)C1 1760547831 SKJLADZVZAAUOT-FQEVSTJZSA-N 438.597 4.619 30 10 IJEE CC(C)(C)OCc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C#N)CC2)c1 1760799740 HZLSBLPRWWGBIH-QFIPXVFZSA-N 437.588 4.623 30 10 IJEE COC(=O)c1ccc(/C=C2/SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1 1772734066 BMTCBHNPPNEQQR-VDCIBEPTSA-N 429.501 4.985 30 10 IJEE O=C1/C(=C\c2cc(Cl)ccc2O)SC(=NN=Cc2cccnc2)N1Cc1ccco1 1772758585 ZDTQVSVONHYWQY-XXVCZTEOSA-N 438.896 4.540 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1860728146 YMPFNOWASUKYBL-HWKANZROSA-N 447.331 4.962 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(F)cc1 1861481955 TXJDFDWDAOEUDA-QHCPKHFHSA-N 430.539 4.712 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C(=O)O 1862380907 NQYICDIMOHDXOU-QGZVFWFLSA-N 434.275 4.678 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862564819 JJEFQOXRNXBIQN-QHCPKHFHSA-N 434.536 4.969 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 1862580392 ISUAGZVEUYMVRF-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 1862580908 VBGNNGWIBRRZHI-IBGZPJMESA-N 442.302 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccccc1)c1cccc(O)c1 1862589129 FKJYFZFJUSXFMJ-XMMPIXPASA-N 427.500 4.993 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862591500 ICLKZXDMCOIHHO-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)cc1 1862725977 WFVSRFNZUROYHM-XMMPIXPASA-N 443.499 4.587 30 10 IJEE COc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968524 SAAYAMUWOIBKFA-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccc(Br)cc2)C1=O 1863196810 APPJRQXHPRZFDP-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)COc2cccc(Br)c2)c1 1866134370 OOVMISNYPXKDPL-UHFFFAOYSA-N 449.304 4.878 30 10 IJEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1c2c(nc3ccc(F)cc13)CCCC2 1866280625 RKEKYCVTOQDXMK-UHFFFAOYSA-N 429.430 4.701 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)/C=C/c1cccc(Cl)c1 1870107802 ZFALQDRYGZRDQA-FNORWQNLSA-N 432.698 4.810 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN(CC)CCCC)cc1=O 1870386927 JRNXCZIHKQRWCL-VWLOTQADSA-N 437.628 4.872 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1CCCCCCO 1870408565 RBBNSWHTRGYTHA-UHFFFAOYSA-N 445.003 4.807 30 10 IJEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870847227 GCJMHRPJCJTWAO-UHFFFAOYSA-N 426.557 4.522 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871004423 DTHMOVQKRPXBTB-UHFFFAOYSA-N 426.438 4.848 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871159354 IHPOCVUPJKHMHH-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1OC 1871367216 ZTMYYUYKTSRDHK-DLIPNDDOSA-N 443.455 4.642 30 10 IJEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871429536 RHNXRJPAVNMDIK-UUYOSTAYSA-N 438.476 4.698 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OC[C@@H]3CCCO3)c2C)C1=O 1871450415 WMJQVOVLGMWFMS-VBNMEBLOSA-N 445.309 4.940 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871457088 OOHPGIWFKOJHQB-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871459446 VCZFEKBNSQTGHN-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872092065 TZGDJJKCEDEWHE-QFIPXVFZSA-N 428.598 4.768 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(C)(=O)=O 1872157991 RYTJHEWMZPNNEM-QFIPXVFZSA-N 429.586 4.765 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCC 1872355648 PBRYAZYCNGMDER-GOSISDBHSA-N 434.524 4.677 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872375554 PFWFXHUNQACBMI-FQEVSTJZSA-N 448.516 4.583 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872439956 ZQRNQEHTDHNQEV-AUUYWEPGSA-N 441.018 4.940 30 10 IJEE Cc1sc([C@@H](C#N)C(=O)CN2CCC[C@H](C)C2)nc1-c1ccc(Br)cc1 1872800241 PCLZJGZCAVVRGC-GUYCJALGSA-N 432.387 4.789 30 10 IJEE CCOc1ccc(/C=N/n2c(Cc3ccc(Br)cc3)nnc2SC)cc1 1874211356 CIASSKHYNZKFMM-FYJGNVAPSA-N 431.359 4.634 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874215825 WZPLJMCPGGOKIV-UFFVCSGVSA-N 431.905 4.640 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 1874416963 QXNXFFFDXGKXKB-PCLIKHOPSA-N 428.517 4.742 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(O)c2)o1 1874438121 LMWRPDXOKAUSNL-YDZHTSKRSA-N 442.541 4.517 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc(Cl)c2)cc1 1874444719 JDLUQCPDPQRCGZ-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccncc2)c1C 1874452117 DZWNLUQGGZDLQP-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1OC 1874458916 MMYQJQIBSGBJAN-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cccc(Cl)c1 1874462586 WBKNVEIVQWPVSG-FOKLQQMPSA-N 447.914 4.573 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1cccc(Cl)c1 1874479646 KMGPAWZAGMMOGE-HZHRSRAPSA-N 436.025 4.897 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)OCC(C)C 1874612171 GKIWSBHQWCOTPH-CMDGGOBGSA-N 432.900 4.831 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-])Nc1ccccc1 1874627310 JEWJKKAWJQLTAL-UXBLZVDNSA-N 438.386 4.787 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1OC 1875098784 PRZPEYDXVHRWQF-PKNBQFBNSA-N 440.492 4.713 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)c(OC)c2)cc1 1875115355 ZKPAIRHCLNXYGL-LNKIKWGQSA-N 446.455 4.744 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC(C)(C)N(c2cc(Br)cc(F)c2C#N)C1 1878986005 HGQMKWWXIIZAJS-CYBMUJFWSA-N 426.330 4.732 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C)cc3Br)ccc21 1890478246 JVABCELDJAWUSK-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)ccc1Br 1898261489 QYBZONWSNLEIKF-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN1Cc1ccc(Br)cc1C#N)C2 1966354938 DGXLALXBGUQEPZ-VFNWGFHPSA-N 434.378 4.590 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCC1 1985179132 FXNDPARTYWAYNY-HOYKHHGWSA-N 445.563 4.892 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017959367 UYYZQCQCSUFWHT-CVEARBPZSA-N 436.557 4.852 30 10 IJEE CC#CCCCC[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2019511701 XZPIZRYXEBBEAC-ZEQKJWHPSA-N 427.633 4.718 30 10 IJEE C#CC[C@H](C)C[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2020078040 JVKOEPWAERHAAU-SYVJQLTCSA-N 427.633 4.574 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)c1O 2033814080 YMXKJMUQXNKPQT-FQEVSTJZSA-N 435.501 4.549 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(C)cc1Br 2060604036 ZHGKLIBVGNSVCY-CQSZACIVSA-N 429.742 4.656 30 10 IJEE COC(=O)[C@@H]1C(=O)C(C)=C2O[C@]3(C[C@]2(C)[C@@H]1C)[C@H](C)CC[C@H]1C(C)(C)C(=O)CC[C@]13C 2080459292 XKJJMXDQESYKLS-PKYRIWFWSA-N 430.585 4.875 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2089291834 MYDOVBMGHMVFPM-ROUUACIJSA-N 443.813 4.930 30 10 IJEE CCCN[C@@](C#N)(CN(CCC(F)(F)F)Cc1ccccc1)C1(Br)CC1 2141690823 WUKPHVZOMRUIGA-SFHVURJKSA-N 432.328 4.630 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)Nc1cc(Br)ccc1C#N 2181043355 AUNOUSBOTBORJM-OXQOHEQNSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)Nc1cc(Br)ccc1C#N 2181103342 NINGULOCTDQLJR-MRXNPFEDSA-N 436.350 4.829 30 10 IJEE C[C@@H](C#N)C1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CC1 2236698898 HNRCAPHXGSFFJS-ZDUSSCGKSA-N 436.350 4.808 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(CCF)CCCN1C(=O)OC(C)(C)C 2296305858 ZIVGSHGSVWVVGG-GHTZIAJQSA-N 439.369 4.518 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296310851 OQYHVULTCNVGEE-UXHICEINSA-N 435.406 4.958 30 10 IJEE CCCN[C@@H](C#C[C@@H]1CC1(F)F)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302312976 MPENTKGCWVFWIP-HKBOAZHASA-N 436.543 4.513 30 10 IJEE C=C(Br)CCN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2315911098 BYFSSOSSTPCDGM-ZIAGYGMSSA-N 429.321 4.843 30 10 IJEE Cc1nnc(SCCCO)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321178534 UTCHGTZHPZQCTR-UHFFFAOYSA-N 432.549 4.675 30 10 IJEE COc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1ccccc1Cl 2321757950 GQDUAEFEVYIIMV-UHFFFAOYSA-N 442.850 4.709 30 10 IJEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1cc(OC)ccc1OC)C2=O 2324121635 CGLOOPGDCBWBEE-UHFFFAOYSA-N 425.525 4.956 30 10 IJEE Cc1ccsc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2C1=O 2325302857 IZQRGMCGTJEPIF-OAHLLOKOSA-N 430.485 4.950 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2325610359 PPWQLZDQPIUDBD-UHFFFAOYSA-N 432.167 4.708 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccn1C 2328677676 ZGHWVFCURIRZCR-UHFFFAOYSA-N 445.592 4.893 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1 2330992542 XWQJHZRYOGECKS-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1F 2331382773 GNJIFFIGARQQOY-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)c1OC 2331455679 GLTFQULNHBXNRJ-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C2CCC2)cc(OC)c1O 2331489057 UTQGTTXZDHQVRN-UHFFFAOYSA-N 438.553 4.751 30 10 IJEE Cc1cc(CN[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2343582363 DFQGSLAERWDTRY-ZEQRLZLVSA-N 435.417 4.768 30 10 IJEE C[C@@H](SCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)[C@H]1CCCO1 2349807597 IYNHTCMIYGWUBK-CXAGYDPISA-N 427.213 4.549 30 10 IJEE CC#CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1Br)C(=O)OC(C)(C)C 2363121668 XTOXGFCBGOKMRI-UHFFFAOYSA-N 449.267 4.667 30 10 IJEE Cc1cc(CN[C@H]2CCCCCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369692288 WCLHNFFYSZLHDX-VWLOTQADSA-N 448.460 4.829 30 10 IJEE Cc1cc(CN(C)Cc2cc(Br)cs2)ccc1B1OC(C)(C)C(C)(C)O1 2369730956 HAZPGCDMFWXSHA-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@H](CC(=O)Nc2c(C)cc(C)cc2C)C(=O)N1C 8816003 LVRISRZUMWJQIC-FNWSHLARSA-N 445.972 4.864 30 10 IJEE Cc1cc(C)cc(N/C(=N/C(=O)c2ccccc2)N2CCN(Cc3ccccc3F)CC2)c1 15729157 YKNLLJYCUZOGHN-UHFFFAOYSA-N 444.554 4.869 30 10 IJEE O=C1/C(=C\Nc2ccccc2F)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 20558952 CFHTWKAVFVDVAY-FYJGNVAPSA-N 442.899 4.965 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1)N2 20678543 YVVXDWCTFHCCED-TZBSWOFLSA-N 436.577 4.884 30 10 IJEE C=C(C)n1c(=O)n(CC(=O)N(COC)c2c(CC)cccc2CC)c2cc(C)c(C)cc21 40311308 LRGQAGMCDMOYPQ-UHFFFAOYSA-N 435.568 4.672 30 10 IJEE CCOc1cc(/C=N\N=C2\S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 47137628 QSLKTOWGYLEFAO-QXZAMSPYSA-N 447.516 4.891 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(/C(C)=N\OCc2ccc(Cl)c(Cl)c2)cc1 59524500 TUHCYGQBUAGXCS-HMAPJEAMSA-N 429.369 4.965 30 10 IJEE C[C@H](Sc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)c1nnc(C2CCC2)o1 59879205 ANYHQQADUUAGDN-XPAGJJBOSA-N 448.350 4.517 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 63403039 TXESRVXUSQIRSG-UHFFFAOYSA-N 436.512 4.621 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95087534 BHCOJNWKYPOUEM-NRFANRHFSA-N 445.567 4.697 30 10 IJEE COc1ccc(C(=O)/C=C\c2cn(C[C@H](O)CN3CCCCCC3)c3ccccc23)cc1 96498689 SFTBTYLQZYDNTR-MGYADMTCSA-N 432.564 4.783 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)s1 169953555 QSIJFFWFISNRNU-HXUWFJFHSA-N 433.533 4.609 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccn2)cc1 169995097 VIQUSVNTZCHCRY-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 170082258 OONULSSSBVLXOY-HXUWFJFHSA-N 425.362 4.592 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)s1 170098321 XODIGKQFOFSTKO-MRXNPFEDSA-N 437.502 4.746 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)c1 170162710 DCFOYSFPIHROJR-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccn1 170176298 DBNGWYYPCAZSDH-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCCCc1ccc(N2CC(=O)C(c3nc4cc(N5CCCCC5)ccc4[nH]3)=C2N)cc1 170178598 HNBYBVODQNAGRG-UHFFFAOYSA-N 429.568 4.612 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)c1 170185115 VECBKQTUHYXYNP-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)c(OC)c1 170222704 HMXNRDGDRXAFMH-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1 170222824 RNFACXDWZIDCAH-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)cc1 170257850 RRTOTODZLVWVAN-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)[C@@H]3c3ccco3)ccc2O1 170290608 XWRWENNJKQYRCN-LAJNKCICSA-N 437.398 4.664 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306332 APTAFWRGEWDJAI-QGZVFWFLSA-N 430.432 4.722 30 10 IJEE Cc1ccc(C)c(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c1C 170536840 MVUCCGYLQYEVQH-UHFFFAOYSA-N 439.519 4.852 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 438604553 GTJCYKQLQRBKLV-UHFFFAOYSA-N 431.517 4.694 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1C(F)(F)F 438645433 KGPSBYSNLPAZQT-UHFFFAOYSA-N 425.357 4.931 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCO1 461152139 LEORZFCMLLPDBP-LJQANCHMSA-N 431.565 4.926 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnn2CC2CCCCC2)nnc1-c1ccoc1C 510373065 FKRJKTNDOAIADZ-UHFFFAOYSA-N 440.573 4.540 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)cc2)cc1OC 526489845 SYLDFGKBMKIUCP-XMMPIXPASA-N 426.472 4.941 30 10 IJEE C=CCc1cc(CN[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc(OC)c1O 532322243 WOZXFDALKNAXBZ-MRXNPFEDSA-N 441.881 4.565 30 10 IJEE CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 540120525 SIULNSLFEGNHRB-RUZDIDTESA-N 430.552 4.737 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 558452425 JLVPYKQMKJKAHL-FQEVSTJZSA-N 441.583 4.765 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCC2CCCC2)CC1 558978574 HPSNALMVMHPYBG-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cc(OC)ccc2OC)cc1 586241767 PNUALKIJUGOIMC-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE CCCc1noc2nc(C3CC3)cc(C(=O)OCc3cc(Cl)ccc3OCC#N)c12 735343257 BUHVDKAPQCZUJI-UHFFFAOYSA-N 425.872 4.965 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 735350151 VGABDKYYENGRSO-UHFFFAOYSA-N 437.839 4.715 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCCc1cc2cc(Br)ccc2o1 779837976 UQVXKCMTSPNZJQ-FQEVSTJZSA-N 436.302 4.543 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 804924677 UCTGXGCESVIFNL-YKSBVNFPSA-N 443.547 4.664 30 10 IJEE CC[C@@H](C)NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811724152 DJCMKNJEHQIMHE-QGZVFWFLSA-O 430.553 4.818 30 10 IJEE COc1cccc(Oc2ccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cc2)c1 1125256069 BSMPNTJOPMGUDX-SFHVURJKSA-N 431.467 4.963 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)c1 1125737865 AWKHVWANTRHJFO-UHFFFAOYSA-N 426.398 4.616 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1129663244 ADQGYQGYOKPVCO-FQEVSTJZSA-N 439.556 4.706 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 1137860944 UPHFFNHNULBERE-JTSKRJEESA-N 425.573 4.699 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c[nH]c3ccc(Br)cc23)n1 1183068296 BLZVBUHQGUJCDR-UHFFFAOYSA-N 440.688 4.893 30 10 IJEE CC(C)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(Cl)cc1 1185056867 GGCBVXITRLBTRT-QGZVFWFLSA-N 427.751 4.650 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1212008694 JIFQSFYTSNPYTF-RBBKRZOGSA-N 448.629 4.605 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCCC1(C)C 1225867511 HNJQZMCUSXGKPL-RBUKOAKNSA-N 448.405 4.639 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 1253384160 YQCHPIZSQZRCMW-DFQSSKMNSA-N 433.296 4.763 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1ccncc1C)c1ccc2c(c1)OCO2 1264077493 DRSGHRKNQNIJOF-FLIBITNWSA-N 428.488 4.930 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)COc2ccc(C#N)c(Br)c2)C(F)(F)F)cc1 1272444985 WSKJMPZMKCQHJQ-GOSISDBHSA-N 438.199 4.528 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCc1nc(C)cs1 1286282801 QJBDWKPIGARRSL-GOSISDBHSA-N 430.581 4.739 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CC=CCC1 1286419703 DARBNIPTSGFVLT-FCHUYYIVSA-N 432.568 4.636 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1Cc1ccc(OC(C)C)nc1 1286454193 HRDHIORHKSARIM-IBGZPJMESA-N 435.547 4.801 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286602096 XREZDRVTZWODTE-JOCHJYFZSA-N 437.632 4.795 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCCC1 1286603652 VYXKLDBXFJIBCZ-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1286623297 FJXOCPYWNHJWQK-GOSISDBHSA-N 438.906 4.694 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1286707431 DHQHFJYXFMOTPN-UHFFFAOYSA-N 437.975 4.711 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccccc1Cl)C1CC1 1286738054 ZLFUUPMQHNCLCZ-QFIPXVFZSA-N 428.989 4.646 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CCc1nccnc1C 1286747490 MYPRZQODHLXABX-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCCc2sccc2C1 1286826231 AYUNQFUVBTVACE-UHFFFAOYSA-N 426.611 4.887 30 10 IJEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2C[C@@H]2CCCC2(C)C)n1 1290610653 BRDXYEQFVNBXOK-NRFANRHFSA-N 425.625 4.732 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4ccc(F)cc4)c3CCC)n[nH]2)c1C 1296373839 NGQHOWVBZLRIIK-UHFFFAOYSA-N 447.518 4.606 30 10 IJEE CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C1 1296688371 CQQFNJHYSKCBIP-LJQANCHMSA-N 447.608 4.746 30 10 IJEE CO[C@@H](C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(CC#N)CC1 1299545004 BRRMARGWHHGBHQ-IBGZPJMESA-N 425.577 4.535 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1300393781 KMUPOURDNUXTCT-SFHVURJKSA-N 447.549 4.729 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC2(CCCCC2)O1 1300446504 LKOPREFQWFUDPS-SFHVURJKSA-N 428.964 4.558 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCNC(=O)OC(C)(C)C 1300608677 BVMNKCAFWLZZLW-UHFFFAOYSA-N 449.958 4.502 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C)C2(CCC2)C1 1300747039 WTCSNMDJKRGLJB-QGZVFWFLSA-N 445.032 4.990 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CC=CCC1 1300950353 BBBCOUVKABAEKC-PMACEKPBSA-N 429.609 4.761 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2)C1 1301018629 IDOJZVYDMBEUAC-HNNXBMFYSA-N 432.753 4.782 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1301085945 CPSQSVWOZURMAH-LJQANCHMSA-N 443.586 4.814 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@](C)(c2ccccc2)C1 1301236679 IBEHUBKMWFVXRH-DRLORSAXSA-N 438.616 4.915 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nccs1 1301403346 XYRJRAXBNIEMKA-PZJWPPBQSA-N 437.613 4.667 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOC(C)(C)C 1301414659 IBIAGDBFGCYBIE-QGZVFWFLSA-N 432.634 4.585 30 10 IJEE C[C@@H]1CCc2c(sc3nc(CCC(=O)N(O)CCCCc4ccccc4)nc(O)c23)C1 1306893840 AABYVMPYQVUKPF-MRXNPFEDSA-N 439.581 4.695 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 1309151370 BHAGYFNTVCYQQZ-UHFFFAOYSA-N 440.446 4.954 30 10 IJEE C=CC[C@H]1CCN(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)C1 1311343200 DCGQZCIVWXNFSE-AVRDEDQJSA-N 433.552 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCCSc1ccccc1Br 1312045974 MOOHEDUWCQAJKG-QAPCUYQASA-N 427.408 4.602 30 10 IJEE C#CCO[C@H](C)C(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1350907029 ACAOKOHZGCVYMD-UKRRQHHQSA-N 439.364 4.667 30 10 IJEE CC(C)CN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccc(C#N)cc1 1353221119 CKBNDFKJWPNUSL-MRXNPFEDSA-N 430.335 4.907 30 10 IJEE CCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H](C)c1ccccc1OC 1353497010 GTGBRUFMULOYLV-HNNXBMFYSA-N 431.330 4.708 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)CCn2c(=O)n(CCC)c3ccccc32)c1 1357998072 YIHXDCVURAAOHW-UHFFFAOYSA-N 443.572 4.879 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1 1358187179 WBJVTKSPTHOSOC-OWBHPGMISA-N 434.948 4.842 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358878734 CNLCHYJMNPWVRF-DLBZAZTESA-N 445.995 4.559 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(OC(C)C)CC1 1358924472 XNEFOQCWRGIJIQ-UHFFFAOYSA-N 449.368 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1358998029 NJZGBILQCXJQOO-PKOBYXMFSA-N 448.464 4.753 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCOC1 1359074158 SWFOFXZDYGBEPU-RXFWQSSRSA-N 436.600 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359101425 OCIAQGHYUYHMLT-RXVVDRJESA-N 434.506 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359102426 BBFZXXDICFGTSL-VWPQPMDRSA-N 448.533 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(C)(F)F)cc1 1359107392 LFQFHYQKNFDIIZ-XMMPIXPASA-N 448.558 4.881 30 10 IJEE C=C(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1359120407 KZWCTSQTIHIYTN-SFHVURJKSA-N 432.341 4.769 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccc(C)o1 1359126841 APMYSFIKNYPSII-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC1CCOCC1 1359156370 CWUBPLLUCINGLU-UHFFFAOYSA-N 427.401 4.839 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2CN(C)C(C)C)CC1 1359180126 SFUFVQSVIFJJJR-UHFFFAOYSA-N 444.627 4.555 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 1359195198 IUSKFHVVQXOFKN-GMAHTHKFSA-N 448.615 4.503 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc2c1OCCCO2 1359196523 KFAYYOVEHBQGKQ-QFIPXVFZSA-N 440.588 4.912 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)CC[C@H]1C 1359223356 IVNCCMYRNIYTJV-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(C(C)(C)C)CC1 1359226105 WQICPFVCKCIMEI-UHFFFAOYSA-N 446.599 4.906 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H](c1ccco1)N(C)C 1359260212 WZLXZDBAPIMSBK-QFIPXVFZSA-N 446.530 4.568 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCn2ccnc21 1359267222 ZDJALMZQDVXGSL-YADHBBJMSA-N 446.599 4.987 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1359342812 FWINXOCSNJUKHU-LQWHRVPQSA-N 428.602 4.725 30 10 IJEE Cc1cc(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)C[C@H](C)C#N)no1 1361070231 GDFIVKBNKBWLOB-GFCCVEGCSA-N 426.933 4.754 30 10 IJEE C=CC1(CC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1441117232 JJWBXHQYYGAYDQ-UHFFFAOYSA-N 426.479 4.867 30 10 IJEE C=CC1(CC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CCCCC1 1456102450 LJSSSOUINJADIJ-UHFFFAOYSA-N 428.577 4.604 30 10 IJEE Cc1nc(SCC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)c(C#N)c(C)c1C 1458087667 FFTHYVNOSUOSJV-LBPRGKRZSA-N 444.398 4.707 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)C1 1465760889 YFXZVRBQOPHDFA-OAQYLSRUSA-N 447.558 4.951 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2O)n1 1466382821 BXYBXQYIUQZURC-UHFFFAOYSA-N 444.878 4.934 30 10 IJEE C[C@H](NC(=O)c1c[nH]c2cc(F)c(F)cc2c1=O)c1ccc(-c2cccc(C#N)c2)cc1 1466800718 GPJJWOQQWKQSGX-AWEZNQCLSA-N 429.426 4.836 30 10 IJEE C=CC[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccncc1 1468883896 ICPHHQZCIJYOPS-PZJWPPBQSA-N 436.556 4.927 30 10 IJEE C=CCC1(CNC(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)CCCC1 1470148377 XJRFQUZGSKOEOY-GOSISDBHSA-N 434.422 4.974 30 10 IJEE C#C[C@@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 1470662251 GQMHSLGLXKMSEX-HXUWFJFHSA-N 445.991 4.837 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](O)c2cccc3ccccc23)cc1 1476041479 GUGYMXNLFPOJCW-DEOSSOPVSA-N 429.520 4.509 30 10 IJEE CCCc1c(NC(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)cnn1-c1cccc(C#N)c1 1476333193 CADFZMCNEXWYLF-UHFFFAOYSA-N 443.486 4.974 30 10 IJEE N#Cc1ccc(NC(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)cc1F 1476707213 DPNNQFBNZYFNBY-DEOSSOPVSA-N 443.526 4.791 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(n1)CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1477065304 ZPWBLBXNLYCHTJ-LJQANCHMSA-N 440.341 4.714 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1OC)c1ccc(Cl)cc1F 1478447131 FHDIRHVQIYZMKY-APPDUMDISA-N 439.712 4.985 30 10 IJEE Cc1cccnc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C#N 1492606368 CWRHLLQTZQNWEA-GOSISDBHSA-N 432.572 4.502 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccsc1 1507759901 PLDITVQEFVLJOQ-HSALFYBXSA-N 444.670 4.966 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1507780680 FCHDVXHQWNESJV-NRFANRHFSA-N 437.345 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@H](C)C1 1507813978 HVPLUKHDCWWZBL-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CC1([S@@](C)=O)CCC1 1507823483 IXPPLNDQLYHPOO-GDLZYMKVSA-N 432.659 4.582 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1507827291 DVNHZHJTGJFKRV-UHFFFAOYSA-N 439.604 4.967 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccccc1F 1507972205 ZPTSLLHHHDLSLO-UHFFFAOYSA-N 432.341 4.775 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)cc1 1508033106 KAQPENACBOKEDM-UHFFFAOYSA-N 433.943 4.794 30 10 IJEE CC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CC1 1510344363 GYRPAQSVYKLFME-GOSISDBHSA-N 438.732 4.603 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1 1525055258 ZZWHCMBGPGASJA-INIZCTEOSA-N 442.294 4.585 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1cc(I)cc(C(F)(F)F)c1 1525487869 NWRGPQVQKSGVLY-UHFFFAOYSA-N 443.206 4.586 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)c1ccc(C(F)(F)F)cc1 1526559979 CRCLHGMFIDUNDC-MRXNPFEDSA-N 437.462 4.832 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)c(C#N)c2[C@@H]1C 1527534218 DGYVQQPBHFEIGY-UPJWGTAASA-N 429.492 4.575 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C#N)c2)C1 1528304115 IBGBIFQKRWZFJX-YLJYHZDGSA-N 431.964 4.853 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1 1529137321 TWRSVXNTYSUQPT-KSZLIROESA-N 447.000 4.838 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)CC2)c(Cl)c1 1530699608 AVSAQTFNOZQTHJ-UHFFFAOYSA-N 428.241 4.846 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H](C)c1cnc(-c2ccc(Br)cc2)s1 1534531369 YXDUAUJJRDCSQD-LRDDRELGSA-N 437.359 4.648 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOC1CCCC1 1539246588 UJYXJWNTENZPEM-UHFFFAOYSA-N 436.625 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1539301624 SVKDYKGGMRBIOW-HXUWFJFHSA-N 438.019 4.572 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539816768 DGCMACYONSKXGK-SFHVURJKSA-N 444.023 4.537 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1539854298 BWMGGDHCSLOGQQ-NRFANRHFSA-N 425.577 4.529 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539917842 GRSLWGRVTPKFNC-OAQYLSRUSA-N 435.616 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539929249 POUHFWMIDCMJCG-OAQYLSRUSA-N 442.604 4.719 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1cnn(C)c1 1539944599 CWIYGHGOFGAFAS-UHFFFAOYSA-N 443.393 4.672 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1539948185 OOBFLEGJDKMLGD-ZCYQVOJMSA-N 449.643 4.723 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1539966177 FZKDVTVZEQTFDX-TZIWHRDSSA-N 430.980 4.760 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1539999516 KYGIOSIYBYHZMV-HSZRJFAPSA-N 430.600 4.716 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCN(C(C)C)C1 1540127572 VMYJDECQAAROST-QHCPKHFHSA-N 432.616 4.597 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C)CC1)C(C)C 1540152618 YFJPGAULPNXUBT-XUZZJYLKSA-N 436.648 4.974 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1cnc(C)s1 1540179917 DBLREBZYUHPTLN-UHFFFAOYSA-N 430.581 4.697 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(OC(C)C)CC2)cc1 1540877325 QYBTZMYJVREXPA-UHFFFAOYSA-N 436.556 4.853 30 10 IJEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CC[C@H](F)C1 1541151740 CMBCMQPZOQQLMV-OALUTQOASA-N 425.552 4.633 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CN2CCSCC2)ccc1C 1542456046 BHGBREIIUXBFTR-HXUWFJFHSA-N 447.645 4.732 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)CCCN1C(=O)OC(C)(C)C 1543879837 IIMHWSDIEYOKGB-UQBPGWFLSA-N 427.589 4.810 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1OC(F)F 1556099667 XJMLYRVHQWHZKN-LBPRGKRZSA-N 425.259 4.916 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCOC[C@@H]3C)cc2)cc1OC 1560378565 GWVKBWPJLRYKKV-INIZCTEOSA-N 447.373 4.860 30 10 IJEE C#C[C@H](NC(=O)NCCOc1ccccc1C(C)(C)C)c1ccc(Br)cc1 1563991816 HHVNDTHALJOGJP-IBGZPJMESA-N 429.358 4.799 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 1567216072 IBXZFUWXXCXWHE-NHCUHLMSSA-N 427.520 4.676 30 10 IJEE COc1ccc([C@H](CO)CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 1570199333 CYCOTPVTFFKECC-IBGZPJMESA-N 436.895 4.518 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C(C)(C)c1ccc(OC)c(OC)c1 1583506162 NECFPXYPLHEPIL-UHFFFAOYSA-N 434.330 4.947 30 10 IJEE COc1ncc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1C#N 1584819164 GXRIFSDFWSEZKD-UHFFFAOYSA-N 432.530 4.995 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2cccc(C#N)c2Br)c1 1585444891 IAMMGIXBHPMAFH-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(Cl)c1 1585664558 DMIDRHVFVTZVAH-UHFFFAOYSA-N 438.936 4.707 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 1586632530 AOUWFNONVUPABB-MRXNPFEDSA-N 425.357 4.786 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)N(C)C 1588472246 CVWHVJBQTDPOHJ-HXUWFJFHSA-N 439.604 4.719 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](CC)C1 1588983673 BIDAFILLSBIJDL-WOJBJXKFSA-N 444.670 4.733 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](CC)Oc1cccc(F)c1 1589197989 NFGLJDNQTYFOPH-NBGIEHNGSA-N 433.531 4.637 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(F)F)C1 1589449838 RSUOSAWCPBGORB-HNNXBMFYSA-N 441.320 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1589545667 OLZUEWZADJCQLZ-OYRHQHFDSA-N 438.616 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1589608679 LRPJZEKUEWQLGZ-KDLAUNOPSA-N 446.542 4.890 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)c1cccs1 1593735489 IFKPMDXHBAANOC-LJQANCHMSA-N 448.596 4.982 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1593746362 CIDYTJBBKHJUND-ISKFKSNPSA-N 437.632 4.518 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1)c1ccccc1 1593775984 FSFFRSFYJAGNAZ-HXUWFJFHSA-N 449.603 4.505 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 1594036819 YBSOIYGGLVAXNY-UHFFFAOYSA-N 429.446 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1594484027 MFMUWEVAUHVFAF-UHFFFAOYSA-N 433.600 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H](C)c1nccs1 1595162094 VXMWOZDUINZKKZ-QGZVFWFLSA-N 436.610 4.778 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCn2ccnc21 1595178315 IZGOAEHYAGRJQE-MOPGFXCFSA-N 436.535 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCc2cccnc21 1595191674 VJYIAOMGCLDEBW-NRFANRHFSA-N 445.567 4.656 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Br)cc1Cl)c1ccc(Br)cc1 1596976779 CVZQDWXZSBUFEM-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3c(s2)CCC3)CC1 1602776853 GOVQGLNNLXMSHE-SFHVURJKSA-N 433.618 4.587 30 10 IJEE C=CCn1c(SCCc2cnn[nH]2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1613171619 LWCQVNGXTQYRKA-HNNXBMFYSA-N 428.631 4.797 30 10 IJEE COc1ccc(-c2nc(SCc3coc(-c4ccccc4F)n3)nc(O)c2C#N)cc1 1613307777 IRKTXHHSVPZCMH-UHFFFAOYSA-N 434.452 4.816 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)CC1 1625398973 ALOLPBAOKDCOGS-SAZUREKKSA-N 441.314 4.716 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)c1C#N 1627078939 CLPGJLKXAYXIAJ-INIZCTEOSA-N 440.638 4.517 30 10 IJEE CC(C)c1ccc([C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)NC(=O)OC(C)(C)C)cc1 1628499896 ANFMDDKKRLFUEW-NLFFAJNJSA-N 425.573 4.966 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)C3(c4ccccn4)CC3)s2)c(C(F)(F)F)c1 1630487414 DIKBRNKUGNAGAU-UHFFFAOYSA-N 428.439 4.690 30 10 IJEE C=CC1(CC(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)CN(C(=O)OC(C)(C)C)C1 1632617158 ITIDCSPOOIEDSA-HSZRJFAPSA-N 436.552 4.714 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 1640027919 ZKLGZWGIDXZGCE-ZWOKBUDYSA-N 434.964 4.623 30 10 IJEE C=CCn1c(S[C@H](CCc2ccccc2)C(=O)OCC)nc2cc(Cl)ccc2c1=O 1652366075 XQMDITOABZEOMU-HXUWFJFHSA-N 442.968 4.893 30 10 IJEE C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1653307035 HAVDSCGVJFQRAP-YWZLYKJASA-N 444.000 4.943 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 1654808561 BIMXFIMQVXEGIG-IQGLISFBSA-N 437.971 4.701 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1ccnc(-c2ccc(OC)cc2)n1 1654925067 QQTCZFIJGCNDDV-UHFFFAOYSA-N 449.511 4.799 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(Cl)ccc(C)c1Cl)c1ccc(Br)cc1 1655459529 XJESOJDWGBXYRO-AWEZNQCLSA-N 433.154 4.717 30 10 IJEE CC(=O)[C@](C#N)(CCSc1nnc(NCCc2cccs2)s1)c1ccccc1 1656190316 CUHJCRAYQQGBDZ-HXUWFJFHSA-N 428.608 4.787 30 10 IJEE COc1cc(NC(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)c(F)cc1C#N 1663615780 GTGZVMVIFDLFRP-KRWDZBQOSA-N 448.292 4.846 30 10 IJEE COC(=O)[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)Cc2ccccc21 1666350997 DHVVEKYLWNEPMT-QFIPXVFZSA-N 427.460 4.655 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CCOCC1 1668687932 HQMPUVKBSRABHS-UHFFFAOYSA-N 432.442 4.978 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1671515605 KAZFTUQYPZAIRG-GOSISDBHSA-N 429.314 4.900 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC)c1ccc(F)c(F)c1 1671773338 ZOAKBHZRGPSYJP-GOSISDBHSA-N 437.874 4.768 30 10 IJEE COc1ccc(C(NC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c2ccc(OC)cc2)cc1 1672050592 FDFXCRURHMLKEU-UHFFFAOYSA-N 444.535 4.861 30 10 IJEE CC1(C)CCCc2sc(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)nc21 1672054498 GOJCLXZOBHNVMT-UHFFFAOYSA-N 425.558 4.535 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1672542844 VDYXMKCZODKZTG-OALUTQOASA-N 448.405 4.702 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 1672708230 HZNXKHYQFPDWTE-HYEGPXJVSA-N 437.378 4.807 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)cc21 1673311327 FGWRPIWIDMNQHB-FQEVSTJZSA-N 430.430 4.847 30 10 IJEE C=CCC1(NC(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)CCCCC1 1678420622 HYXISNIMQBREHS-UHFFFAOYSA-N 440.357 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)c1ccc(Br)cc1Cl 1680700153 LIPUPSRRJFINOT-CXAGYDPISA-N 429.786 4.661 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)C(C)(C)C 1683005196 CCTKAZBUENZIKR-MJGOQNOKSA-N 429.561 4.983 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 1685955544 HKKXVSDBPSASJH-TYCQWZJGSA-N 434.342 4.799 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1cc(F)c(Br)cc1F 1687093694 ZLSKYLYWCKZJBP-GFCCVEGCSA-N 443.288 4.662 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC[C@@H](C2CCC2)C1 1689912820 BJTNICKWVQZKMJ-GMAHTHKFSA-N 436.600 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1690070904 KFQHPUGTXXEGAW-UHFFFAOYSA-N 446.624 4.893 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cn2ccsc2n1 1690083729 MPDQMPPPRPZNLJ-UHFFFAOYSA-N 448.596 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccoc1 1690213055 ZWMKMWOCEKBKHO-OAQYLSRUSA-N 431.323 4.797 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(C)C)C1 1690221930 DETNZPCJLGCTHQ-MRXNPFEDSA-N 443.748 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690260463 LYOXGQUEXGEBSN-KDURUIRLSA-N 446.039 4.889 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ncc(Cl)n1C 1690328114 FIHKUDAVMOXRGB-INIZCTEOSA-N 449.386 4.811 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690424278 JKIDRDBZRGGFJE-HXUWFJFHSA-N 439.604 4.993 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)[C@@H](C)CC 1690576395 ZHKBTYCAVFGPAV-UUOWRZLLSA-N 435.597 4.868 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CCC1 1690594980 LDYOXWLELKMLEJ-LJQANCHMSA-N 429.609 4.761 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C)nc1 1690609493 QHYBBUGVXRFXEJ-UHFFFAOYSA-N 449.505 4.727 30 10 IJEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 1697397867 ADHUIURMFXLGHB-NZSAHSFTSA-N 449.521 4.961 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1705528736 QFDCBWOXMNBFDZ-XMMPIXPASA-N 448.567 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=C)Cl 1705589972 XYKRWOXHAKKRRC-GOSISDBHSA-N 431.367 4.904 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1CCCC1 1705600964 RUVRYVGWQPCMOU-UHFFFAOYSA-N 439.003 4.905 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC(=C)C 1705655119 DLJBBZXDXRCAIS-UHFFFAOYSA-N 437.382 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCC=C 1705678091 NJXITRJHSFNUMB-YADARESESA-N 427.593 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H](c1ccco1)N1CCCC1 1705713499 IKJAZOYBFACAGC-NRFANRHFSA-N 435.572 4.786 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1705732440 ZDRQINWLZOYGTL-NRFANRHFSA-N 433.581 4.985 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1705783710 RBWOHMDKCDXOBW-MRXNPFEDSA-N 441.576 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CCCO)CC1 1705792827 CGQMQXMVCCZWKA-UHFFFAOYSA-N 432.559 4.738 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCOc2ccc(Cl)cc2)n1 1707592933 HAVJNEGCQRLTFZ-UHFFFAOYSA-N 436.947 4.511 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1722324575 UQGHLRPPABAKMG-PCCBWWKXSA-N 440.563 4.614 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC1CC(F)(F)C1 1722451910 PSHORZWTYNFBAP-GOSISDBHSA-N 448.583 4.883 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1722451956 QJYUZIUAOLFHMY-BBTUJRGHSA-N 428.577 4.693 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1722456487 UVQWYQCTJYHJTM-UHFFFAOYSA-N 426.630 4.658 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CCC 1722494277 BZBUCIPOSSFNQF-DENIHFKCSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC1CCCC1 1722498474 APBNXHWJKRHBJA-AUSIDOKSSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCCOC 1722505099 MTVSNIOZDYHFQG-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CC2(OC)CCC(C)CC2)CC1 1722569666 JNJXMJNRPNYGSD-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722623567 IWTUJOIHKGESPH-OAQYLSRUSA-N 426.605 4.697 30 10 IJEE C=CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)C(C)C)C1CC1 1722646852 MLDWXQKIPFZHGH-UHFFFAOYSA-N 436.629 4.872 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1740566814 CDAOVBCOSBUXGF-KRWDZBQOSA-N 443.389 4.516 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(COCC)cc1 1740603291 MNNVNGJDQAYSIS-SFHVURJKSA-N 434.609 4.786 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)SC 1740663864 ANGRMUCAWOHVQG-GFCCVEGCSA-N 427.799 4.572 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N(C)Cc1cc(Br)cs1 1740746291 HRXIMMCXOXONEY-UHFFFAOYSA-N 446.212 4.600 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@H](F)C2)CC1 1740825244 KUPCZWQHBMDRRU-QUCCMNQESA-N 447.599 4.687 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740843904 SLOLPPABZIVNAU-GOSISDBHSA-N 426.565 4.629 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740866058 VCLVDHPOXVZOCO-OTWHNJEPSA-N 427.618 4.641 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)ccc1OC(F)F 1740905434 WXBVSJOKWDIGMD-IEBWSBKVSA-N 434.531 4.777 30 10 IJEE C=CCSCCn1c(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C 1741004632 HHIUILXYXMBMBN-SFHVURJKSA-N 439.000 4.865 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1745249156 GQNITXGVWIAENW-LEEZEASISA-N 439.604 4.805 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC(F)C1 1748740049 MVIJCOYXMFTMRP-UHFFFAOYSA-N 439.760 4.959 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OCCC)nc1 1748833546 UTGFQAIHUIREBM-UHFFFAOYSA-N 441.579 4.548 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC[C@H](C)C1 1748912489 FBSMTBXTAJVVNK-IBGZPJMESA-N 448.640 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCc1cccs1 1749078887 RVRUXUCSAYSIAV-XMMPIXPASA-N 436.581 4.552 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1749105503 JDMLXHUYEMWXLJ-CQSZACIVSA-N 445.739 4.912 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)CC 1749215794 FXBKTYZCRQANOO-AWEZNQCLSA-N 427.412 4.844 30 10 IJEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C1CCCCC1 1749229307 JDSHSOVFJFXVQD-QFIPXVFZSA-N 426.561 4.542 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1749311320 MHWQTCWCEISYIA-NBGIEHNGSA-N 440.588 4.760 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749404221 WFRIGQUBRWROCA-UHFFFAOYSA-N 426.590 4.536 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749413170 RTQQHUPYBPUBNK-RTWAWAEBSA-N 441.595 4.836 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1749417553 KRDVZYLHFLKEQI-KRWDZBQOSA-N 447.986 4.837 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(C)COCCO1 1749548362 BHYDREKLIODSLY-QFIPXVFZSA-N 444.988 4.658 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1749574624 ANNYRXKCAOPJRG-MOPGFXCFSA-N 438.469 4.972 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(Cl)s1 1751090781 AIWUHEDHJCMDCF-SNVBAGLBSA-N 439.770 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](OC)C(C)(C)C 1760122366 KKTBCJMZLCYKSS-UGKGYDQZSA-N 426.605 4.808 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccncc1Cl 1760165325 OLFJMTSVYYPMQF-UHFFFAOYSA-N 428.348 4.979 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC[C@H](C)C1 1760215995 WCRNJLXKFOEPQQ-FQEVSTJZSA-N 438.019 4.572 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2(C)CCCC2)CC1 1760258521 NHEYOLWMKHAJOX-UHFFFAOYSA-N 449.643 4.706 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](c2ccco2)C1 1760276697 MEBLQOWDFFKGFB-MRXNPFEDSA-N 442.972 4.560 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1760306440 HHUPRBMWWUPBGP-GOEBONIOSA-N 431.334 4.634 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1760403397 QMZKVXXIBULSGZ-NHCUHLMSSA-N 439.623 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C 1760408135 CPSGJGUVQIEZLX-SFHVURJKSA-N 425.968 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1CSC 1760408397 BAYCZFFQZUPOLR-GOSISDBHSA-N 430.618 4.896 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H](C)N1CCCCC1 1760455958 DEIOHHWGQOPICF-MOPGFXCFSA-N 432.012 4.958 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760501771 BOODUSPMFOESDP-CYFREDJKSA-N 446.039 4.748 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760512412 GPIDQRPQGMXRAE-PKTZIBPZSA-N 437.632 4.751 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1760533641 KMKJNVHLWHBURH-ROUUACIJSA-N 440.638 4.874 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2CCCCC2)C1 1760537715 RHENJQJXBOVECO-IBGZPJMESA-N 430.980 4.969 30 10 IJEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCc1ccc(Cl)s1 1760937010 AQCHYMAJYZJPTH-LJQANCHMSA-N 441.988 4.809 30 10 IJEE COc1ccc(/C=C2/SC(=NN=Cc3ccccc3OC)N(Cc3ccco3)C2=O)cc1 1772758033 WKCSTEDCZFEZML-HWVQBVCISA-N 447.516 4.803 30 10 IJEE CCOC(=O)c1sc(NC(=O)C2(Oc3ccc(OC)cc3)CCCCC2)c(C#N)c1C 1859736341 YAPUIAZWGADNMN-UHFFFAOYSA-N 442.537 4.834 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(OCC(=O)c3ccc(Br)cc3)cc2)c1 1860160126 WXZAMNCKGKIWMM-UHFFFAOYSA-N 435.277 4.835 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)CCCOc1ccccc1C 1861708411 QFPOQHNRAVXWQY-OAQYLSRUSA-N 436.662 4.869 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc2c(c1)CCCN2C 1862421701 NZJYMGCYJNMUSM-QFIPXVFZSA-N 440.490 4.726 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1862432632 JHGOSANRFLCREF-IBGZPJMESA-N 433.335 4.523 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 1862448183 HTXFFTBNMCBWNJ-LJQANCHMSA-N 438.823 4.620 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1O 1862448954 YTFIYCWQKQXZLV-FQEVSTJZSA-N 429.900 4.679 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cccc3ccccc23)cc1 1862666961 PCOOOEIXKOJSED-XMMPIXPASA-N 429.516 4.924 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862712998 FNHKJMWTNHQDDH-ISKFKSNPSA-N 427.500 4.906 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3cccs3)C2=O)cc1C 1863254033 IXLJRDOPDBRVTQ-UHFFFAOYSA-N 427.529 4.671 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)cc1 1863316258 MMQSECACNQVUKR-UHFFFAOYSA-N 443.453 4.580 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)c1 1863316291 NYGSHBQQNJEWCA-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@H](C)c3ccccc3)C2=O)ccc1F 1863462458 BWLRVYYEFOUBAQ-QGZVFWFLSA-N 425.463 4.959 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cc3ccccc3n2C)n(-c2ccc(Cl)cc2)n1 1870002507 NNGJMCYSTZXLHA-UHFFFAOYSA-N 446.942 4.843 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccccc1C(F)(F)F 1870112790 XKDILEGPJRQYMW-UHFFFAOYSA-N 440.212 4.776 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN1CCCC1 1870421127 XYXXMPPENRBOFC-UHFFFAOYSA-N 434.621 4.917 30 10 IJEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CNc2cccc(C)c2C)cc1=O 1870813179 AEDSSEAEAPJZHP-RUZDIDTESA-N 447.579 4.651 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870830075 AMBQJBXADSVCBA-UHFFFAOYSA-N 446.588 4.863 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O)CN(CCN(C)C)CO2 1871352347 BWZRQZTUXMCIIS-OCKHKDLRSA-N 433.335 4.632 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)COc3ccccc3)c2C)C1=O 1871364891 YLTISRAGMAMKAS-HAHDFKILSA-N 430.456 4.994 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871394238 MJBQVFOAJHODRR-UQQQWYQISA-N 443.547 4.534 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871436004 JKHUCXLVPJPTMR-OFNOZLENSA-N 430.485 4.950 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871453766 QKDKMABDKFNDFW-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871457253 XGICPVSQYBLEIB-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(N3CCCCC3)cc2)[nH]c(N(C)C)n1 1871607778 HKBJZWLGUXOVLC-UHFFFAOYSA-N 425.625 4.866 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 1871754708 CIZDUMWRSOENRF-JOCHJYFZSA-N 432.561 4.754 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871875306 HOFAOMNDBQMIKM-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872183972 LVCLHJZNTUUYQD-PGRDOPGGSA-N 436.618 4.589 30 10 IJEE CCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1873079086 YAWRQTGEEBSIEB-UHFFFAOYSA-N 449.595 4.807 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2/N=C/c2ccccn2)CC1 1874285020 LBZHUEICUHKRNN-WGOQTCKBSA-N 442.633 4.638 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2O)o1 1874427871 GBIYELWPHGXCDI-ZVHZXABRSA-N 448.504 4.595 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2F)c1 1874437285 TWCFKYHUXGGUHB-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C(F)(F)F)cc1 1874460695 BKYYGINCELDVHJ-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2cccc(F)c2)o1 1874488504 ZUCDZBYPKMDTFS-FSJBWODESA-N 430.505 4.560 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(OCC)cc2)o1 1874513467 ZLXPUCWJRFMYFT-YDZHTSKRSA-N 442.541 4.744 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)cc2)c1 1874698105 WASWYQLDKMTTJU-LFIBNONCSA-N 432.472 4.974 30 10 IJEE C#CCOC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)CC1 1891788002 KNLVICSWOFCDNN-UHFFFAOYSA-N 449.348 4.919 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](O)c1ccc(Cl)c(Br)c1F 1922086021 NDUGMNYEBRCEOD-RTBURBONSA-N 428.729 4.636 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1949109453 HVXOJVUMSQFTDO-PNCHPQGNSA-N 431.508 4.859 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 1990169362 JMKOFOOZEOFPJT-SFTDATJTSA-N 434.646 4.869 30 10 IJEE C[C@@H]1CN(c2cc(Br)cc(C#N)c2)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297154 PTPBFLFSKKBNBR-HZPDHXFCSA-N 428.330 4.557 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 2037376893 XTQCFMIRJALIPS-AZUAARDMSA-N 445.560 4.512 30 10 IJEE CSc1ccc([C@@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1 2080101226 CSFMIMPMCNCUPK-OAHLLOKOSA-N 443.354 4.962 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](C)(O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2082128757 CQXZYKOTWGASRN-ZGXDEKTJSA-N 446.632 4.572 30 10 IJEE C=CCC1(Nc2cc(F)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2106208509 SOWBJHQGXJJILQ-UHFFFAOYSA-N 428.346 4.928 30 10 IJEE CC1(C)C[C@@H](CNc2cc(Br)cc(F)c2C#N)N(C(=O)OC(C)(C)C)C1 2107442419 IXHAONSGEVRVLT-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC 2110508467 BVMIFLDRHQKGMY-LSDHHAIUSA-N 447.776 4.679 30 10 IJEE Cc1c(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)ccc(Br)c1Cl 2138180968 UJEURFUNTPGQQJ-AWEZNQCLSA-N 444.757 4.937 30 10 IJEE CC(C)N[C@@](C#N)(CN(CCC(F)(F)F)Cc1ccccc1)C1(Br)CC1 2141687987 IIGLAVKYXZFASE-SFHVURJKSA-N 432.328 4.629 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CN(c1ccc(C#N)c(Br)c1F)C2 2174810024 HNZWNWRYBCSVQR-VBKZILBWSA-N 438.341 4.591 30 10 IJEE CCN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2174811212 VGKMMQRIFDAIMP-LSDHHAIUSA-N 440.357 4.980 30 10 IJEE C=C([C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221676151 NFUTYZHWTNTMHM-IRXDYDNUSA-N 428.443 4.679 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@@H](O)CC#C[Si](C)(C)C 2229105824 YXRPMIMOPLUBKC-ROUUACIJSA-N 440.454 4.517 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](N)C#Cc1ccccc1Br 2232131387 WUTMZLZYWLYRGI-IAGOWNOFSA-N 441.435 4.553 30 10 IJEE Cc1cnc(NCc2cccc(OCc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2232310238 SGADFQYOYKKLCY-UHFFFAOYSA-N 430.357 4.880 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2235722526 CWDOUGYQZAZDJE-QAPCUYQASA-N 449.311 4.624 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2235723490 UFGNTDFSRHNLQB-MJGOQNOKSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@@H](O)C#Cc2ccccc2Br)CC1 2235739267 GWITWYDIFWFWOC-DJPFJPOOSA-N 440.353 4.585 30 10 IJEE Cc1nc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2241476740 YOOYHXZWXJUVLI-UHFFFAOYSA-N 448.397 4.593 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)C#Cc2cccc(Cl)c2)C1 2248507502 BFXDYKQOPRKCLA-UHFFFAOYSA-N 439.939 4.715 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@]4(CS3)C[C@H]3CC[C@H]4C3)COC2)cc1 2256610760 NDUAREAYZYCEQP-DPZBCOQUSA-N 447.648 4.709 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C 2261821362 TXGATZQBGYSMIR-JVFUWBCBSA-N 447.572 4.655 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 2261827792 QXTRSPYTKDFEFQ-VWLOTQADSA-N 445.556 4.553 30 10 IJEE CN(Cc1ccccc1I)c1cc(Br)cc(C#N)c1 2265528944 ONZAGPLMOJSTBL-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE Cc1cc(Br)c(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1Cl 2284372899 JWHQQALARAQVNH-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE C=CCC1(COc2nc(C)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2287843004 VSPJQWMNKRBNLQ-UHFFFAOYSA-N 440.382 4.707 30 10 IJEE O=C(C#Cc1cccnc1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2295697356 RCEUUQLMLJNTCQ-LJAQVGFWSA-N 449.506 4.894 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@H](O)C#Cc2cccc(Br)c2)cn1 2296222271 QGXJZXKEVHSMMU-GOSISDBHSA-N 431.330 4.691 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](N)C#Cc3cccc(Br)c3)CCC[C@@H]12 2296270970 CANFKWZKROYZOQ-JQVVWYNYSA-N 433.390 4.698 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@H](N)C#Cc1cccc(Br)c1 2296279476 PFNYZGJFWJXNKW-GOSISDBHSA-N 431.330 4.856 30 10 IJEE CN1C(=O)C(=Cc2ccc(I)o2)SC1=Nc1ccc(Cl)cc1 2297366977 MFBSVHUXXWNKLP-UHFFFAOYSA-N 444.681 4.771 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2306612953 ORNAOFBZZYWXOE-LOSJGSFVSA-N 428.573 4.699 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(OCC)cc2OCC)cccc1OC 2322922661 RMSBUVWTBMAFPV-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)cc1OC 2322948434 ZLWOMPXHMCRVQL-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCC(=O)N[C@@H](C)c1ccccc1 2323212655 PXOUGYABYRMRGE-SFHVURJKSA-N 433.479 4.987 30 10 IJEE CCOC(=O)c1sc(NN=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)nc1C 2323854477 HRTKCGZVHVDMPN-UHFFFAOYSA-N 439.537 4.970 30 10 IJEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@H]1CCO 2324140382 KJGCQIKEVBUVAR-AWEZNQCLSA-N 431.891 4.538 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325652687 AZXQESQDINMNFB-UHFFFAOYSA-N 438.520 4.867 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)C(F)(F)F 2325731887 IPWSMNWYNQQGTE-UHFFFAOYSA-N 429.188 4.822 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccc(O)c1 2325817467 DPPYVERSYNLDKV-UHFFFAOYSA-N 440.569 4.863 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc(OC)c1O 2326315650 WSZWWELIAMLZSM-UHFFFAOYSA-N 440.569 4.781 30 10 IJEE CCCOc1ccc(C=Nn2c(COc3ccc(OCC)cc3)nnc2SC)cc1 2326629240 QGGJYFURZFBZSF-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccccc1Cl 2326868163 YMVSNPMXBXMZFC-UHFFFAOYSA-N 432.933 4.827 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCCO)n2N=Cc2cccc(Cl)c2)c1C 2327304875 MEJIREPCGOREBF-UHFFFAOYSA-N 444.988 4.792 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cc(Br)ccc1O 2329851157 BVMDRXZTRRDGDH-UHFFFAOYSA-N 447.333 4.636 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2C)c(C)c1 2331005327 WRUTVCRHVFTWQQ-NRFANRHFSA-N 449.580 4.668 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331097954 QIEUYCWIZPJLCW-UHFFFAOYSA-N 443.358 4.980 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccs2)cc1 2331437741 JYMYIWRGCJBQBX-UHFFFAOYSA-N 427.599 4.714 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2c[nH]c3ccccc23)cc1 2331502855 AZTLEGZXFSKMDY-UHFFFAOYSA-N 444.564 4.948 30 10 IJEE COCCOCC(=O)Oc1c(Cl)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2331762543 LIOSTMAVANNBHL-UHFFFAOYSA-N 446.927 4.738 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1 2332189012 VTPDPIZPKROVFK-UHFFFAOYSA-N 442.567 4.935 30 10 IJEE CC[C@@H](NC1CCN(Cc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514010 WMZSGIGGSCKQRI-RUZDIDTESA-N 434.433 4.691 30 10 IJEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588249 FQDCODZTMYJSPV-FDPSAONLSA-N 445.413 4.808 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@](C)(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339598778 HRWRLMXBRRWMLI-BVSMPEJXSA-N 444.381 4.798 30 10 IJEE CC#CCN(C[C@@H](Cc1cc(Br)ccc1F)NCCC)C(=O)OC(C)(C)C 2363119641 RQSLLWNNXOWYIC-GOSISDBHSA-N 441.385 4.759 30 10 IJEE C=CCN(C(C)(C)C)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2373892038 UTLPZGCUNREDJF-CQSZACIVSA-N 425.186 4.859 30 10 IJEE COc1ccccc1NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 9073514 RNFNNCVWIIJYBO-UHFFFAOYSA-N 432.501 4.655 30 10 IJEE O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21255855 AJVYMTACZOXGSM-ZIAGYGMSSA-N 430.287 4.726 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Br)cc2)cc1 21259811 KSNCSJZSLPDWJA-VQIMIIECSA-N 440.337 4.852 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1 33539361 BIOYSYONEDKMJZ-AGXIJRPPSA-N 445.519 4.668 30 10 IJEE O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Br)c(Br)o1 33758588 DJFFLFSFLLMJTR-XFFZJAGNSA-N 428.105 4.696 30 10 IJEE CCc1ccc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)cs2)cc1 33958962 OJLNKRPMLSLVPR-HZHRSRAPSA-N 442.610 4.849 30 10 IJEE COc1ccc(OC)c(/C=C\C(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c1 34955318 MPUJDYZUTHIVAP-GHXNOFRVSA-N 448.471 4.836 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4ccccc4F)CC3)C2=O)c1 41585448 WZAOXFSDOBSHCY-XYGWBWBKSA-N 444.506 4.778 30 10 IJEE CCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccccc3)cnn21 64874226 LTHDHYGPINJZDV-QHCPKHFHSA-N 428.492 4.556 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1nc(-c2ccncc2)no1 72025339 SDZQDIIWWPTKAC-UHFFFAOYSA-N 425.448 4.675 30 10 IJEE COC1=CC=C(Br)/C(=C\Nc2cccc(NC(=O)c3ccccc3)c2)C1=O 136007827 YZNCFLZEHJQHPC-GHRIWEEISA-N 425.282 4.627 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925417 AMUWWRYMDOFQSX-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccc(C)c1 169967820 YJIHOBQPOQDVRW-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOC(C)C)c1 170035267 GGVSUSJHOXPHMM-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2)cc1 170048436 ARNCYJAMUUJAJF-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)c1 170060752 XLQKEDVDXDWJML-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(C(C)C)cc1 170066712 NOCSCBBBFMKVMG-YKSBVNFPSA-N 449.547 4.884 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 170083029 AOYQUGUOKMSYIP-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 170160962 LFTRVNALNBENTO-OAQYLSRUSA-N 425.469 4.884 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@H]3c3cccs3)ccc2O1 170161264 IGXJXHNUCAWMEY-FPTDNZKUSA-N 442.496 4.726 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1cccs1 170164933 SCKGZMFVNIEFKY-SFHVURJKSA-N 435.929 4.797 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccn2)cc1C 170171786 UGROIQPUXSSYBD-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(Br)c2)=C(c2ccc(OCCC)cc2)C1=O 170173788 LKMKQEYNBSQTIS-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)ccc1Cl 170204315 WHSIXHQCZKDLDI-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 170258187 JQQBJBDOKBFIKE-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccco2)c1 170288005 BNXJBVHSAQWYHJ-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299822 DKAZYKCQQGOWTQ-RCDICMHDSA-N 433.435 4.833 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)cc1 170394989 JGZPMEJUXBCEFI-DEOSSOPVSA-N 438.483 4.970 30 10 IJEE CC(=O)c1c(C)oc(NC(=O)CCCOc2ccc(Cl)cc2Br)c1C#N 170528336 QUQQEQUWIPHOQT-UHFFFAOYSA-N 439.693 4.876 30 10 IJEE C=CCOc1ccc(CN[C@H](C(=O)O)c2c(C)nn(-c3cccc(Cl)c3)c2C)cc1 426808254 QWJOFOAJWCGRJK-QFIPXVFZSA-N 425.916 4.623 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1=O 439466551 XSGABIVGQBOWDI-GOSISDBHSA-N 440.956 4.867 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2c(F)cc(F)cc2C1 460373583 HTRMVCNRTXCWJY-GMAHTHKFSA-N 436.506 4.940 30 10 IJEE CC1(C#N)CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 508048285 CGOOUKZYPNXJDO-HXUWFJFHSA-N 443.016 4.836 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCCOC1 508696198 HGLCSYLQZNOEIJ-FQEVSTJZSA-N 436.531 4.712 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)ccc1O 526707174 DTCBAYOUQMAFTH-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cccc(OC)c1OC 526817061 GEUIQVVLLLCIBC-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)[C@@H](C)n1cnc(C#N)n1 547379862 NCICABXDIOEEJN-RKVPGOIHSA-N 444.926 4.581 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](c4ccccc4)C3)n2Cc2ccccc2)cc1 549133947 GYJIWYDDWMSBCX-XMMPIXPASA-N 435.531 4.771 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c1 552929945 GMUUTCOLPBAMEW-INIZCTEOSA-N 434.883 4.894 30 10 IJEE C[C-](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C-](O)CCC4=C3[C@@H](C3=C=C=C(N(C)C)C#C3)C[C@@]21C 585671136 LIEVSGDFXVBRDG-WKWWZUSTSA-N 431.576 4.552 30 10 IJEE C=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)C(=O)OCC 733871083 SDKSDQNGKMUHOK-UHFFFAOYSA-N 435.336 4.848 30 10 IJEE N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741431501 QURMFQVDPQQEPU-MCIONIFRSA-N 440.780 4.829 30 10 IJEE C[C@@H](OC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 766999620 CRTXPPKDGCQLAL-VXGBXAGGSA-N 447.354 4.545 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2nc(-c3cc(Cl)ccc3Cl)cs2)n1 789761861 MSKPRHIVYNTROY-UHFFFAOYSA-N 435.380 4.595 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1C)c1ccc(Cl)cc1 810472200 FYFIQAAUYVJGGZ-QFIPXVFZSA-N 432.907 4.657 30 10 IJEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccccc2)n1 1084408105 SQRNIUCPAHLYIR-UHFFFAOYSA-N 440.598 4.874 30 10 IJEE C=CCC1(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)CCOCC1 1125742946 WAAULZXWHGQFHS-HZPDHXFCSA-N 426.479 4.630 30 10 IJEE C#CCN(C(=O)CCOc1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1126228977 LZVRDYZNGWLEES-FQEVSTJZSA-N 428.326 4.512 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CCCN1C(=O)OC(C)(C)C 1126498678 WNHPHEICLAQUSY-AOJNWGRGSA-N 442.600 4.925 30 10 IJEE CCN(C(=O)COc1cccc(Br)c1C#N)[C@H](Cc1ccc(F)cc1)C(C)C 1126550552 BWXQJNVTSATWRD-HXUWFJFHSA-N 447.348 4.954 30 10 IJEE C=CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)CCCCC1 1129028755 NGDANMSHWAJVAP-KRWDZBQOSA-N 439.021 4.769 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(Br)cc2)CC1 1136322491 SQPWLDSFYDEDNJ-KRWDZBQOSA-N 437.378 4.804 30 10 IJEE C[C@H]1CN(c2ccnc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)C[C@@H](C)O1 1148215748 BFKUGQFDMORMIW-CALCHBBNSA-N 446.482 4.751 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1149317353 JQVJAWYWUBJRFL-PEBXRYMYSA-N 432.952 4.739 30 10 IJEE C#CCN(C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1155366624 BTGRCYCERLRLSY-UYAOXDASSA-N 448.966 4.834 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cc2n1 1156691194 ZOAWGVBKECGCNV-INIZCTEOSA-N 429.307 4.521 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 1157520565 BOYCUTOCIQXKST-LJQANCHMSA-N 438.490 4.751 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 1161650882 WWYUQEZTBVXSIE-UHFFFAOYSA-N 438.837 4.547 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)C1 1163027954 VQOXOCISHJDNNY-SFHVURJKSA-N 439.581 4.956 30 10 IJEE C=CCn1c(SCC(=O)c2ccncc2Cl)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164430533 OYLXDASDCGMBFZ-GFCCVEGCSA-N 445.997 4.792 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)C1 1176070830 QOUIZTWGWMRNRV-OAHLLOKOSA-N 430.957 4.529 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H](c3nc4c(s3)CCC4)C2)ccc1Cl 1197881455 HRLZGTYHZXHWCF-KRWDZBQOSA-N 443.016 4.720 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 1198877403 CZAKQGZGOXGHGO-IBGZPJMESA-N 432.524 4.714 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCC1)c1ccc(F)c(F)c1 1223434064 VWFIXMZTYKCRGK-GGAORHGYSA-N 429.511 4.727 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC)c1ccccc1 1254762598 HNTHYYIFRZWVTC-FCHUYYIVSA-N 445.604 4.751 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1 1271204632 PSXUWXUDNUAMMN-UHFFFAOYSA-N 448.375 4.840 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccccc2I)C(F)(F)F)cc1 1272443020 HUYRLNMVZVGZGK-OAHLLOKOSA-N 430.163 4.733 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C)c1ccccc1 1272703359 DQBVWHVIGYIODH-MSOLQXFVSA-N 442.401 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C2CC2)cs1 1286275549 ROAXZSOMVYHKHB-CYBMUJFWSA-N 442.386 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCS1 1286515375 IOTASMCEVNAOJS-FXAWDEMLSA-N 431.403 4.595 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)[C@@H](C)CC 1286516941 ATBNGZJBBBWBBS-PCYHDRSOSA-N 440.657 4.921 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286600773 HRONAQVOCSTKQW-PMACEKPBSA-N 425.621 4.650 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(Cl)s2)CC1 1286662270 CZUOWCXFABZWMJ-UHFFFAOYSA-N 434.034 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](C)C1 1286671415 XZWQKQJZALYEGN-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C)C(=O)OC(C)(C)C 1286719346 GTCGRVZHWBVIQE-UHFFFAOYSA-N 437.947 4.617 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OCC 1286747287 HIFUYUJYYKBXAE-UHFFFAOYSA-N 435.553 4.943 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCO[C@H]1C(C)C 1286767055 DQYSWKHNALEUBH-URXFXBBRSA-N 449.599 4.583 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1286822497 DVIADBHNIKJXCQ-MRXNPFEDSA-N 431.993 4.731 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1300733384 JRSFXFHOKQYVFL-RTBURBONSA-N 428.577 4.716 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300833292 YOXRSIPERSSETK-SFHVURJKSA-N 444.377 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1300883416 APAWOQWQKQLBOL-WFXMLNOXSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@@H](C)C1 1300907937 VIWKUDXWLJKFRS-HXUWFJFHSA-N 439.604 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2ncc(C)s2)CC1 1301070068 LROBKFVAETVTNZ-CYBMUJFWSA-N 447.406 4.761 30 10 IJEE C=CC[C@@H]1CCN1C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1304672883 YPLNKTMKSRMUAL-OAHLLOKOSA-N 444.457 4.611 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1305310195 DFDVKEFZFSVVIR-YYTKYJTOSA-N 427.593 4.570 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)Cc3cc(Br)ccc3OC)cc21 1311253018 YYILOMAPUUGWNV-UHFFFAOYSA-N 429.318 4.657 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 1311755231 ITUNFMFQNNPKCD-UHFFFAOYSA-N 436.552 4.891 30 10 IJEE C=CCN(C(=O)CSc1nncn1C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1350742855 WSHPKWCXUFSDGX-UHFFFAOYSA-N 447.589 4.917 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 1351975532 FTLGXVGOQPKMID-JOCHJYFZSA-N 445.541 4.611 30 10 IJEE C=CCN(C(=O)c1ccc2ccncc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1354212568 PYRYMAWFWRZDCU-UHFFFAOYSA-N 449.557 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCSc1nccs1 1358881421 GCVXJIOSXYLDNK-MRXNPFEDSA-N 434.594 4.590 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CCCCC2)C1 1358921876 LVULMKAPNKYZPQ-UHFFFAOYSA-N 438.572 4.545 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(C2CC2)CCC1 1359004724 HDSBZOXFZFMAHK-UHFFFAOYSA-N 431.353 4.887 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(=C)CC1 1359050276 MDSQDHRHCYFCSD-UHFFFAOYSA-N 435.622 4.900 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1CSC 1359051556 ASXHSRTZMSBLRV-HXUWFJFHSA-N 428.671 4.941 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCc2cccc(Br)c2C1 1359126773 YTZNTFBKXOPTAD-INIZCTEOSA-N 433.394 4.710 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 1359137377 NNWPQFDQEBQBRR-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1359184735 YEMMSYAIZLHOAN-ZWKOTPCHSA-N 430.618 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359193139 XXKTWZQNHNMZIN-AQNXPRMDSA-N 443.636 4.887 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C[C@H]1CC)c1ccccc1 1359195243 JGBZHCDUEMZKGJ-ZXGKGEBGSA-N 438.616 4.987 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCc1nc(C(C)(C)C)cs1 1359243537 VFFNYEKAMLHUFS-UHFFFAOYSA-N 434.613 4.900 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1C[C@H]1CCCn2ccnc21 1359254472 SJJGKFZNFRCDSK-PZJWPPBQSA-N 434.588 4.767 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1Cc1occc1C 1359274073 ZISAZGQXCNXDQB-UHFFFAOYSA-N 443.345 4.748 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(CCN(C)C3CC3)c2)CCCN1C(=O)OC(C)(C)C 1435717452 HDVCXTRPWWAHEQ-VWLOTQADSA-N 427.589 4.608 30 10 IJEE COc1ccc(-c2nc(CC(=O)N(c3ccc(C#N)cc3)C3CCC3)cs2)cc1OC 1437962720 BSLYECWHIXSORY-UHFFFAOYSA-N 433.533 4.827 30 10 IJEE CC#CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1446921460 FBPOMZLHWCXAKU-UHFFFAOYSA-N 445.375 4.863 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C)[C@@H]2C)c1 1457490143 AYNXMDBJMMBICV-SJORKVTESA-N 432.973 4.592 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 1458874822 MPWITPJAOQOTJT-SJORKVTESA-N 444.567 4.522 30 10 IJEE C[C@H](CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)N(C)C(=O)OC(C)(C)C 1465012895 ACOPHIAEVWEQSS-MRXNPFEDSA-N 441.503 4.865 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 1465529545 PVOZEUWVEFKOIL-HUUCEWRRSA-N 431.524 4.750 30 10 IJEE C=CCCC1(CNC(=O)N2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCCC1 1470796003 YAMRHZNSSUOBMI-FQEVSTJZSA-N 449.636 4.713 30 10 IJEE CCc1ccc(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)cc1Cl 1473467109 AFIMCXRXENEGLE-FQEVSTJZSA-N 439.003 4.668 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H](c1ccco1)N1CCCCC1 1507540903 GSJADIJTPYAYLU-ISKFKSNPSA-N 445.611 4.732 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=C)Br 1507679505 XASRJMQUKHWGFI-UHFFFAOYSA-N 438.373 4.721 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC[C@@H](C)N1CCCCC1 1507702204 SAHMFWSISHZAGF-OAQYLSRUSA-N 425.596 4.520 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(CC)CC(C)C 1507856201 FPULGSCBNASVPE-UHFFFAOYSA-N 427.774 4.951 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OCC)cc2)CC1 1507877740 OEIWKNBKFCEESH-UHFFFAOYSA-N 442.361 4.639 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CC=CCC1 1507934933 KWZMSZUKNIBIIS-OAQYLSRUSA-N 435.620 4.601 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507938981 GVIQBICBZLEYOR-IBGZPJMESA-N 445.558 4.825 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1507964711 KFMKPILPFLWKPF-UHFFFAOYSA-N 448.558 4.785 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1507986047 UFJOLJPVUNPVSK-SFTDATJTSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(C)CN(C)C1=O 1508006749 VPFVKRLJFWAVSN-SQJMNOBHSA-N 449.624 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1nccs1 1508007396 AZDWYYVAFPSCKT-MJGOQNOKSA-N 441.576 4.764 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCOC2(CCCCCC2)C1)C(C)C 1508014523 VJIOWMNVDJRXFJ-HSZRJFAPSA-N 441.664 4.784 30 10 IJEE C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1521996742 AWAFEXOKNUWEHP-PSLIRLAXSA-N 425.300 4.753 30 10 IJEE C#CCO[C@H](C)C(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1523307903 LGKYROPUZWWWQJ-BFUOFWGJSA-N 438.724 4.680 30 10 IJEE N#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1Br 1525276936 GYISHKRYJGIIMB-QFIPXVFZSA-N 439.284 4.744 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C3CCC3)CC2)c1 1527346037 SZPQATHLVFCLRK-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C=CCCn1cc(C(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)nn1 1528150239 GMJYWAXQZHWMFS-UHFFFAOYSA-N 430.430 4.938 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 1529743920 LSIGQMZGAIHRPC-UHFFFAOYSA-N 436.433 4.798 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1CCCC[C@H]1C 1539035094 MDKJWACAZYSALR-LEWJYISDSA-N 425.646 4.601 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCCCCC1 1539104169 FTBJKHMIOACRPP-UHFFFAOYSA-N 431.378 4.900 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1539246699 PRWSCRHULKHNKP-ISKFKSNPSA-N 432.612 4.767 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1(OC)CCCCC1 1539392497 QWQCOWAZBOMLSA-UHFFFAOYSA-N 426.580 4.995 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCc1cccs1 1539569011 HNBYNFZFFKQSQY-HSZRJFAPSA-N 438.622 4.875 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CC)CC(C)C 1539585798 ASFMUCZKXSFFQA-UHFFFAOYSA-N 427.774 4.998 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cccs1 1539622385 FNLJKYMWJHFNCH-YLJYHZDGSA-N 444.004 4.715 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](CN(C)CCC)C1 1539691130 JRTOAHYTQZQXAG-GOSISDBHSA-N 446.437 4.760 30 10 IJEE C#C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(C)C 1539776810 MWRGVISBMSCNMF-OAQYLSRUSA-N 436.353 4.618 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C)[C@H](C)CC)CC1 1539836886 ZJKVCIGCSFPFIC-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1539854571 GCYOOQUIABQHKD-GHTZIAJQSA-N 429.634 4.632 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1539859822 WHPZQPUAVMSKKF-HKUYNNGSSA-N 433.021 4.931 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1539888619 SPJKQQBAVYXFBB-IRLDBZIGSA-N 427.593 4.598 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1539946449 BLDPBNBVVQKVEZ-LZTCXMBHSA-N 438.616 4.772 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1539971770 ROBMEKYOTYDSPM-LJQANCHMSA-N 445.633 4.780 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1539982649 PMFRLJUPLAANJG-IBGZPJMESA-N 429.584 4.834 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCc2cc(F)cc(F)c2C1)C(C)C 1540146499 CDJSOOWSTAJGLG-QHCPKHFHSA-N 443.586 4.941 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1540912944 GLAAUTIEEAOLCG-DENIHFKCSA-N 435.597 4.534 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1544383039 UBPJXQACOQZTHF-BHIFYINESA-N 430.589 4.862 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC([C@@H](CC(=O)OCC)c3ccccc3)CC2)cc1 1544400680 BFZSAGJMSJMYGG-VWLOTQADSA-N 433.548 4.678 30 10 IJEE N#Cc1nc(N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)ccc1Cl 1559094109 CWLGRIKFMQVWPP-UHFFFAOYSA-N 445.670 4.715 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1)c1ccccc1 1583037144 KDQYGOPTJYWNPH-QFIPXVFZSA-N 426.582 4.653 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CCCN1C(=O)OC(C)(C)C 1585015185 HAUBWURDLORSFQ-HXUWFJFHSA-N 427.328 4.734 30 10 IJEE C#CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CCCc2ccccc21 1585188967 INQDKZSJZKDZEA-HXUWFJFHSA-N 436.305 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CC(F)(F)CO1 1587575581 YJJVBSQBDSCQRK-QWHCGFSZSA-N 436.915 4.695 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1587759800 ZVRPXDGOKZKZCE-RPWUZVMVSA-N 431.584 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(SCC)c1 1588185816 NKJHJINTGRIXDP-QHCPKHFHSA-N 443.620 4.838 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCSC1 1588193281 AGUFAQPPVPLTEF-OALUTQOASA-N 438.666 4.738 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1(CC)CCC1 1588194513 WSCMUBAUKHRSHH-UHFFFAOYSA-N 431.403 4.812 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccccc1C(C)C 1588458132 CRTMFVHRYOHQID-FYYLOGMGSA-N 438.616 4.859 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589434323 CTMIOJHWCBRZGN-GASCZTMLSA-N 439.348 4.699 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1593796353 QGZGJQJQKOWKEB-OAQYLSRUSA-N 437.613 4.599 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CSCCS2)CC1 1594013290 FCAUIVCCVYIMKV-LPHOPBHVSA-N 434.606 4.562 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCCN2CC)CC1 1594035076 BKRJCVQENUADFF-IBGZPJMESA-N 431.531 4.577 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC(F)F)CC1 1594208657 LLEYZLRKOGBCFP-UHFFFAOYSA-N 447.349 4.801 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1594226787 RFPHEKIVUHHJIK-DEOSSOPVSA-N 430.600 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2)CC1 1594511939 YCDJCNSXGMSDNS-UHFFFAOYSA-N 430.600 4.583 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1594646295 VGFUERAKKWYJJY-HXUWFJFHSA-N 431.625 4.861 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@H]1CSCCS1 1595076200 WWAVUVQEBZSROF-FQEVSTJZSA-N 430.643 4.595 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccnc(OC2CCCCC2)c1 1595212817 SPOCALUJJMKGLT-JOCHJYFZSA-N 437.588 4.853 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1595414974 GFMVLMQOUMFSAR-HNNXBMFYSA-N 442.466 4.648 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)OCc2ccc(O[C@H]3CCOC3)cc2)s1 1595434401 WGTNODTWGHSJJO-KRWDZBQOSA-N 439.986 4.750 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(Cl)c2OCC(F)F)CCCN1C(=O)OC(C)(C)C 1596025123 BFTPHASXUCYVFS-NRFANRHFSA-N 442.890 4.715 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1[C@@H](NC(=O)OCc2ccccc2)[C@H]2C=C[C@H]1C2 1616398911 GTAISGXRLZGRJD-QORCZRPOSA-N 446.547 4.640 30 10 IJEE C=C[C@@H](OC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1)c1ccccc1 1617550541 WPDAHVSTCCVFQK-QGZVFWFLSA-N 428.872 4.810 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C 1618139543 BBAZGSPKNDORAZ-SFHVURJKSA-N 448.972 4.988 30 10 IJEE Cc1nc2cc(NC(=O)c3cccc(COc4ccccc4C#N)c3)ccc2n1[C@@H](C)CO 1624073741 GIZNBSAFGVGADG-KRWDZBQOSA-N 440.503 4.601 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](CF)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 1624709738 SQHFUXSAJHVMOB-SFHVURJKSA-N 448.926 4.843 30 10 IJEE C#Cc1ccc(C(=O)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)cc1 1624770073 MFXOTKVRHGQXGX-UHFFFAOYSA-N 426.516 4.704 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2cc3cc(Br)ccc3o2)c(OC)c1 1625306055 KAECPUQVPCRSQS-UHFFFAOYSA-N 430.298 4.628 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CN1Cc1ccccc1 1631343577 FHUUFKWGMWHFNE-CJFMBICVSA-N 425.532 4.530 30 10 IJEE C=CC(C)(C)CNC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1640616803 GOZHYPIMKZOZPG-UHFFFAOYSA-N 428.598 4.972 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cccc(SC(F)(F)F)c3)ccc2c1=O 1642145633 UEHGWPAQPHQAAC-UHFFFAOYSA-N 437.468 4.735 30 10 IJEE Cc1ccc(-c2noc([C@H](C)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)n2)cc1F 1642944433 ARIUPVOEOZBEOK-KKSFZXQISA-N 439.922 4.781 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1)C(=O)OC 1644819172 CLFRXQPSUWFCKS-DEOSSOPVSA-N 445.563 4.843 30 10 IJEE C#CC[C@@H]1CCN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 1648293342 ZMSLBIDRECOSOO-VGOFRKELSA-N 446.532 4.743 30 10 IJEE N#Cc1ccc([C@@H](O)CN(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 1658776687 GFYJNLHSDICRJS-QFIPXVFZSA-N 440.316 4.591 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2F)c(C(F)(F)F)c1 1661633673 IDVMHFZGIHYAAV-HXUWFJFHSA-N 448.441 4.978 30 10 IJEE C#CC[C@@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC)c1ccccc1 1669003982 IMHXTFBUYLSSIR-RSXGOPAZSA-N 444.531 4.866 30 10 IJEE CCCc1c(NC(=O)N[C@@H]2CCCOc3c(F)cccc32)cnn1-c1cccc(C#N)c1 1670351761 AUOUIAQCGYRPJZ-HXUWFJFHSA-N 433.487 4.871 30 10 IJEE CC(C)CN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1671576231 GDVZNQSKSNSPRV-QFIPXVFZSA-N 438.959 4.575 30 10 IJEE CC1CCN([C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)c2ccccc2)CC1 1671735719 DBMJLFQURBJDGD-OAQYLSRUSA-N 441.373 4.915 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)[C@H](CC)CO 1672214281 JDTLYKZZBHOZTD-GOSISDBHSA-N 433.346 4.819 30 10 IJEE CN(C)c1ccnc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 1674192799 HPAPMZYOUBTYHM-UHFFFAOYSA-N 435.915 4.573 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1 1676480054 OSRIVHNAUGACLC-UHFFFAOYSA-N 432.476 4.830 30 10 IJEE C=CCN1CCC(NC(=O)NCC2(c3ccc(Br)cc3)CCCCC2)CC1 1678389704 AZIHOKVQXITYPN-UHFFFAOYSA-N 434.422 4.601 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccccc1)C1CCOCC1)c1ccc(Br)cc1 1678827552 FXYQVRIANBFEOQ-LEWJYISDSA-N 427.342 4.591 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccn1)c1ccccc1OC)[C@@H]1CCCc2ccccc21 1681254518 IFLVWUVLLJOTGO-AOYPEHQESA-N 425.532 4.902 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1 1683106246 CKCMNMGQAXXEPV-NRFANRHFSA-N 439.625 4.962 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CCCC[C@H]3Cc3ccccc3)CC2)nc1 1683928441 ICGPFTWDWTZRGA-FPPAHVCDSA-N 432.568 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C(CC)CC)no1 1689863607 XKAXBIYCEHNHKA-IBGZPJMESA-N 435.572 4.872 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC[C@H]1C 1690059290 NLQHQKJIJIYTQQ-HSALFYBXSA-N 445.007 4.820 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1690185031 RQFDPQBOTANAEM-QGZVFWFLSA-N 436.597 4.727 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1690263908 KVPLFHLDMBROGC-OAQYLSRUSA-N 440.592 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](OC)C1 1690422726 YNGDWHZSNCMRMV-KRWDZBQOSA-N 433.394 4.843 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1690447003 JHOXDORGCQFYPK-GBXCKJPGSA-N 428.577 4.757 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690472458 OATZPLJJUJZEGI-URVUXULASA-N 425.621 4.920 30 10 IJEE C=CCN(c1nnc(COc2ccccc2OC)n1Cc1ccc(Cl)s1)C1CC1 1690550414 WCBFPBGXXYMXSQ-UHFFFAOYSA-N 430.961 4.784 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(C)C)C1 1690711538 COAVERGUCVPQBK-NRFANRHFSA-N 426.605 4.937 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(F)cn2)cc1 1693165738 GBPCNCPBCMNXTQ-HSZRJFAPSA-N 436.560 4.591 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N 1695998518 DCPXWRZLYWNNGH-CQSZACIVSA-N 440.375 4.717 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1705527256 XWOWSBFFNCQKAU-UHFFFAOYSA-N 445.558 4.518 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705670362 QVGUIGOREVKWRT-WDZJFXIESA-N 436.600 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1705674559 LWYKCWSDFXGPCA-WNCULLNHSA-N 449.643 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CC1=CCCOC1 1705677630 WHKFCOSTVUXMLG-AREMUKBSSA-N 434.584 4.628 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705681491 WDQGOZDPKDGCAB-KFKAGJAMSA-N 433.394 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(c2ccccc2CO)CC1 1705694051 NJRSCTIIGLBKTR-LEEZEASISA-N 438.616 4.649 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1705779067 UHHBSDCZMUCMSJ-QUCCMNQESA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(C)Cc2ccccc2)CC1 1705780684 WNSGTBMQWMUXEC-UHFFFAOYSA-N 430.600 4.573 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705808413 MAIDTQWKYCKEHO-UHFFFAOYSA-N 442.677 4.691 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCC1)C1CC1 1705855991 BKFLOZZOHHCKFG-ICSRJNTNSA-N 427.593 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)[C@@H](C)CC 1705870431 IIHHKXOAECCBAM-KKSFZXQISA-N 433.394 4.683 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 1705941661 QPANYMAUXVWQSH-ZIAGYGMSSA-N 427.401 4.785 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@H]2CCCCO2)CCS1 1706344568 BFJYXJYDAMUKKL-FGZHOGPDSA-N 439.629 4.744 30 10 IJEE CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C#N)CC1)c1ccccc1Cl 1710996565 IARIXMOOJDHHHT-HXUWFJFHSA-N 429.012 4.563 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1722328539 WAJBJVJCSFLKCU-VXKWHMMOSA-N 445.567 4.501 30 10 IJEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1722333860 PHQWPXKRXWBPAM-RBUKOAKNSA-N 427.618 4.549 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722339093 WEJIFCKEVABMBU-GGAORHGYSA-N 436.600 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(CC)CCOCC1 1722511832 NBUQRWHTLQMQNR-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722512987 OZIORKSVUBZXJT-QGZVFWFLSA-N 431.556 4.742 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@H](OC)C1 1722555706 FPVUESGHFMZKCL-YVEFUNNKSA-N 445.778 4.778 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCSC2(C)C)CC1 1722569602 HKEDYEHLXMNQBO-GOSISDBHSA-N 428.602 4.554 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1722577788 QNEYELVZVFGTMA-FGZHOGPDSA-N 444.023 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)CC1 1722588382 RNQQGJCRMDNXAE-UHFFFAOYSA-N 430.040 4.903 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 1722608804 MDOPRVBDKSFMBY-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC1CCCC1 1722618440 RHYLTSYGRZSZNR-SFHVURJKSA-N 433.597 4.669 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1snnc1C 1722631085 CJBVDDQQELGTNJ-HNNXBMFYSA-N 432.981 4.519 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1722634404 OMKXDGJCQPBNQW-NTKDMRAZSA-N 428.577 4.711 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@H](C)c1ccc(C)cc1 1722662149 GRXBIACEEFCYJB-FQEVSTJZSA-N 449.624 4.767 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c(C)coc2C)C1 1722721520 UAGQKENIVJCDDY-OAQYLSRUSA-N 436.556 4.513 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 1740535889 WEZZRGNTQHLBGT-WIYYLYMNSA-N 447.549 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(CC)C1CC1 1740539301 CBGFOJPMCDNDMQ-QGZVFWFLSA-N 437.588 4.755 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1740572442 LGWRLRTWIMWHFY-IBGZPJMESA-N 442.007 4.535 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCC([C@H]2CCCO2)CC1 1740579573 LRJIQUXSJXBNPO-XMMPIXPASA-N 436.600 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740732941 VTQZDPXEQLHDII-TUACAJSNSA-N 426.992 4.862 30 10 IJEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H](C)c1ccccc1C 1740736126 FPYRRKIZVREYKO-MRXNPFEDSA-N 448.409 4.611 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740738796 PLNKTWUQWFJLOL-SFHVURJKSA-N 449.393 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(OC)nc1OC 1740767013 OCNLHGMNLHZASL-UHFFFAOYSA-N 447.583 4.611 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H](OC)C(F)(F)F)CC1 1740827581 BQSBFHMHYCZEBC-LJQANCHMSA-N 438.494 4.598 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2sc(C)nc2C)CC1 1740828334 ZDGKJYOJDMPNDX-UHFFFAOYSA-N 437.613 4.946 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1740838114 GPPGZJJTYRSLEL-UHFFFAOYSA-N 432.515 4.801 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@H]1CCO[C@H](C)C1 1740894066 HRVBYTYNLLSCGO-KGLIPLIRSA-N 425.396 4.597 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1 1740920677 TUWUWMMBHHMQOX-NRFANRHFSA-N 437.588 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(C(C)(C)O)cc1 1740922237 YWLVSRCYBUMUIY-UHFFFAOYSA-N 447.608 4.813 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740945219 PGTWSNAIGSYSMS-QFIPXVFZSA-N 433.556 4.609 30 10 IJEE CC(C)N(C)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1743009804 ICAGFTVFCNUCQZ-QZTJIDSGSA-N 428.650 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCCCC1 1748651427 MGOJVFQVSOYJBE-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CC 1748652283 YYBGCGUCTGHCJF-AZUAARDMSA-N 425.646 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc(C(F)(F)F)cs1 1748673746 KRSOEWDWMUNZNB-LBPRGKRZSA-N 439.894 4.504 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](COC)C1 1748701640 NEJUWZPRBIXKQL-JOCHJYFZSA-N 431.584 4.629 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1748772439 OAZLKSXZAQWHGP-YRPNKDGESA-N 445.007 4.961 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H](OC)C(F)(F)F 1749060242 MCZXVZKCQQQARW-QFBILLFUSA-N 444.860 4.697 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)CCCC 1749080260 IVRNDELBQQXBFP-HSZRJFAPSA-N 446.064 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 1749140801 SOVZCHTZBARUPE-BIRZXAFVSA-N 430.637 4.660 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1749341525 HFTKDFVABMDQGC-LJQANCHMSA-N 435.494 4.579 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1749342063 VBDAXVGVUINROO-KNQAVFIVSA-N 444.023 4.531 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)c1ccccc1 1749384750 GWTINRRNBRIJDO-PLVHLFARSA-N 438.616 4.609 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2c(ccnc2O)C1)c1ccccc1 1749385691 SYWGICUGPJWXIH-FQEVSTJZSA-N 431.584 4.890 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cccc(F)c2[C@H]1C 1749448876 DCHZHLNISSRKQN-MRXNPFEDSA-N 441.938 4.849 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1Cc1ccc(C)s1 1749529973 QOBOYDBNCZTNBG-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1ccc(F)cc1 1749545109 SVRXSXRCJGJRIW-QGZVFWFLSA-N 441.576 4.613 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCc1cc2ccccc2o1 1749594995 XGFPBAGPGWETJP-UHFFFAOYSA-N 437.931 4.621 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[C@@H]2C)C1 1749699146 ZVOMAVDZVJKEJZ-PSHVLCQKSA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1749762557 YBAIUPZCLAOLGF-AUSIDOKSSA-N 449.624 4.779 30 10 IJEE CSC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750257826 GGJUAKBYVUNLMY-QFIPXVFZSA-N 443.592 4.708 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(OC2CCCC2)nc1 1750709592 GHXKHKDGTRAJML-UHFFFAOYSA-N 444.583 4.749 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](Cc1ccccc1)OC 1760103628 JJHRQAAVPPHDPL-XQBPLPMBSA-N 448.636 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(Cl)s1 1760106478 CSIVDDLPLTZKBH-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccco1 1760129544 QTRNBKBEQKVGLJ-OAQYLSRUSA-N 431.540 4.885 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1760317433 FZTMSHCTPKQXBB-GMAHTHKFSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccnc(OCc2ccccc2)c1 1760340153 LZRIUNHIWWAPDF-JOCHJYFZSA-N 433.556 4.554 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760343941 HJHDAPCLSIOHQT-KRWDZBQOSA-N 430.961 4.823 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760370727 BULDVGGJSQINHE-OAHLLOKOSA-N 448.358 4.636 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCCO2)CC1 1760398548 CECPRJWZLRTUJN-LJQANCHMSA-N 445.405 4.988 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCO[C@H]2CCCC[C@H]2C)CC1 1760403609 ZQHANUOYAMHYKG-OFNKIYASSA-N 438.616 4.875 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)CN2CCCC2)CC1 1760404448 AWLNRZODZQKNFU-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1760406632 IRZQRDRALPKOIF-UHFFFAOYSA-N 427.568 4.542 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 1760530341 NXPVFHPKLINFGV-JOCHJYFZSA-N 447.583 4.737 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCSC1 1761518080 DAOONBJXSFQUFR-IEBWSBKVSA-N 443.592 4.830 30 10 IJEE CC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 1761558979 COPJOCXYFZADOT-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC[C@@H]1C)OC 1764045847 GXGKXXRFVFSWKV-LAUBAEHRSA-N 427.618 4.600 30 10 IJEE COc1ccc(CCn2c(C(C)C)nnc2N(CCC#N)CC2CC2)cc1Br 1768596564 BTRWBZLPVVKGLX-UHFFFAOYSA-N 446.393 4.545 30 10 IJEE N#Cc1cccc(C(=O)N2CCOc3cc(NC(=O)c4c(F)cccc4Cl)ccc32)c1 1858472235 HACDATGMKUWBDX-UHFFFAOYSA-N 435.842 4.642 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)[C@@H](C)CC 1861073614 GBYYMBMCYJEXNX-PYBAQSHJSA-N 432.605 4.725 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446313 PKAWSKYERXENNL-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478960 VKVPHRIPTQGEQN-CNDZOEFASA-N 433.504 4.850 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(N(C)C)cc2)cc1 1862520083 ZSVUJOAVZCRYSD-HXOBKFHXSA-N 436.552 4.918 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862569654 RQIWUIZYTADUFI-HSZRJFAPSA-N 437.536 4.891 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCc1cnc[nH]1 1862613432 HZZQVVRBESHGNV-HSZRJFAPSA-N 443.547 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621628 VKFNFTWFIYAAFC-JOCHJYFZSA-N 447.874 4.847 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 1862716815 OLXRPCBRYDPXCL-HXUWFJFHSA-N 442.298 4.717 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)cc3Cl)=C(c3ccc(F)cc3)C2=O)c1 1862769154 UOUMIGYDLIDOAR-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccc(C2=C(Nc3cccc(SC)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862961236 XVEZUDZXIVOJHF-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1868291139 INBVYVRATKJKPP-OAQYLSRUSA-N 431.565 4.957 30 10 IJEE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2cccnc2)n1 1868572625 FGPRYHISIQLWRN-XMMPIXPASA-N 436.523 4.637 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3cccc(Cl)c3)C2)nc(-c2cccnc2)n1 1869372089 PFMZYDKXDDSBJE-QFIPXVFZSA-N 447.970 4.948 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCC[C@H](C)C1 1870330905 RFYQNEOLAZOMQW-NRFANRHFSA-N 434.621 4.773 30 10 IJEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCOCC1 1870548359 DAXIMQDLJFMXFW-UHFFFAOYSA-N 436.637 4.625 30 10 IJEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc(F)c(F)c2)cc1=O 1870812604 FSTDXSFZGWLZLP-QFIPXVFZSA-N 446.881 4.690 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)c1 1871346857 DLZYXZVUWTYGGI-MSXFZWOLSA-N 447.462 4.811 30 10 IJEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871409528 QLPYNAOTTDPXTA-VJLQILQTSA-N 443.455 4.746 30 10 IJEE CCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871411598 PYHCRWXQENYTIL-WQRHYEAKSA-N 431.282 4.706 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCOc4ccc(OC)cc4)ccc3C2=O)cc1 1871414723 LPXQESKTGMXXCA-IWIPYMOSSA-N 446.455 4.556 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871775721 GOIVIMFRUHAAPN-LAUBAEHRSA-N 434.989 4.879 30 10 IJEE Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872767504 TXVKOCGXCWCYMM-AWEZNQCLSA-N 444.375 4.703 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1872773731 WTFYGIYKVSGZPV-BBOMDTFKSA-N 448.500 4.836 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 1872776185 KHIRJVBATWHCCB-AWEZNQCLSA-N 426.385 4.564 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)Cc1ccc(C)c(C)c1 1873685350 MKPLTRNAPAWEOD-UHFFFAOYSA-N 436.577 4.922 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2/N=C/c2c[nH]c3ccccc23)cc1OC 1874197254 AHJGEOIGKPGYAM-MFKUBSTISA-N 435.553 4.556 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874248697 SIVHIIMJLNWYPQ-PXLXIMEGSA-N 425.514 4.501 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874432621 PEDABKCPGXKZMA-LGJNPRDNSA-N 439.560 4.525 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1/N=C/c1ccc(C(F)(F)F)cc1 1874480623 GKHGLLOLUIFGEO-FSJBWODESA-N 428.480 4.567 30 10 IJEE Sc1nnc(COCc2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874562746 OVYLFRUZWLAPLU-MFKUBSTISA-N 430.533 4.745 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1OC 1874568328 SGUYIUMJVNZUAS-FSJBWODESA-N 446.960 4.787 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 1902202490 XCUOXUYDMNXZNN-KUHUBIRLSA-N 435.487 4.858 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1cccc(Br)c1C#N 1954225564 ZKDYIIBOIIGXLD-UHFFFAOYSA-N 430.346 4.852 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCC[C@]1(F)CN(C(=O)OC(C)(C)C)C2 2004736373 UUTRLGAPRBYSBQ-TUSQITKMSA-N 432.580 4.867 30 10 IJEE Cc1csc(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c1C#CCCO 2039333372 ZXYMBLPYNUVBKR-UHFFFAOYSA-N 446.616 4.613 30 10 IJEE CCc1nn([C@@H](c2c(C)cc(C)cc2C)C2CC2)c(I)c1C=NO 2079980054 YKZBHWQAPLCCRL-GOSISDBHSA-N 437.325 4.783 30 10 IJEE C[C@H]1C[C@@H](CNc2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2115818076 IUNBUBWBEZTGBW-STQMWFEESA-N 426.330 4.907 30 10 IJEE O=C(NC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F)OCc1ccccc1 2146529497 WJENPDPVMNPNGT-MRXNPFEDSA-N 438.343 4.791 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180863777 FHNGZLOQFOAVEM-WWGRRREGSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@H](O)CC#C[Si](C)(C)C 2229106539 WKJYIQAOHJQDMM-QZTJIDSGSA-N 440.454 4.517 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)C#Cc1ccccc1Br 2235725302 JFDGYOXHBNRLCO-LJQANCHMSA-N 428.326 4.506 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2235744884 ACDXYBYGHPPABN-MSOLQXFVSA-N 433.390 4.568 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](F)[C@@H](C)CNC(=O)OC(C)(C)C 2235749185 HTHNWZIGOIYWLJ-KFKAGJAMSA-N 441.385 4.668 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)c1 2256898750 BVDSBZYMZUNMAY-UHFFFAOYSA-N 430.285 4.659 30 10 IJEE O[C@@H](C#Cc1cccc(Br)c1)c1cc(Cl)ccc1I 2278803899 UIIBXQHKXLRIQI-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1 2281948292 UBYIGVCLYRMHLY-UHFFFAOYSA-N 445.372 4.606 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2296216729 NCJHYCCPNPHKAJ-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC1CCCC1)NC(=O)OC(C)(C)C 2296272770 MBVGJZLWKRJQDD-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296294902 YOBHWUIWLABDCP-RTBURBONSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C 2296296158 KRYWXBLWPCERLJ-IRXDYDNUSA-N 445.348 4.669 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)no1 2296554296 JMEKKGMBZSPFDF-GOSISDBHSA-N 429.259 4.916 30 10 IJEE O=C1C[C@H](c2cccnc2)c2c(ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)O1 2297590571 YVTDSUHUGWLZKM-MRXNPFEDSA-N 435.382 4.740 30 10 IJEE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1N=CC1C(=O)CC(C)(C)CC1=O 2297736449 LQIPBFZECHDMLF-UHFFFAOYSA-N 427.522 4.877 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1c(F)cccc1Cl 2321090477 KYCNTLDACHWBBL-UHFFFAOYSA-N 431.924 4.554 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2321193348 CQJOYKMTRDSFRI-QGZVFWFLSA-N 435.597 4.736 30 10 IJEE COc1ccc2ccccc2c1C=Nn1cnnc1SCC(=O)Nc1cc(C)cc(C)c1 2321250777 YMBCIKZIPHHVSP-UHFFFAOYSA-N 445.548 4.670 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1OC 2322209613 MRPHMRIOWIGGRP-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2322722450 GMRAJIDPZRRDLO-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 2322969218 UPRUKUVCKUBUKT-UHFFFAOYSA-N 436.424 4.845 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)Nc1nccs1 2323022328 ZBTZIKATIKVAER-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1OC 2323097687 LWKVHIBOGFHWBB-UHFFFAOYSA-N 448.446 4.997 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)c(OC)c1 2323283038 FJIAWFRYFQVPEQ-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 2325737746 KFCJKACTIVYCGV-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1OC 2325747365 GOFJIQLKXIYEIL-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(=O)OC)cc1 2327674346 WJMPLGHPORIFAB-UHFFFAOYSA-N 444.944 4.681 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc(OC)c1O 2328744586 XOHSHFYORHREMV-UHFFFAOYSA-N 438.553 4.554 30 10 IJEE Cc1cccc(C=Nn2c(CCc3cccs3)nnc2SCC(=O)OCC(C)C)c1 2329687306 KSNJKAHNAQJVLQ-UHFFFAOYSA-N 442.610 4.607 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1OC 2330955057 UOPYWVVLNFWLAW-FQEVSTJZSA-N 438.553 4.711 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1 2331276438 XJCFXQGCALJVRV-UHFFFAOYSA-N 431.444 4.922 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1F 2331408147 CQIGTAQIMVSECG-UHFFFAOYSA-N 434.419 4.721 30 10 IJEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1C(=O)OC(C)(C)C 2339574765 MPDVEPDVHGMMGC-QJPGBWLHSA-N 443.397 4.560 30 10 IJEE C[C@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339589291 VPISRLKPNLSBIC-HKUYNNGSSA-N 444.381 4.893 30 10 IJEE C[C@@H](Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)c1cscc1Br 2364752850 CAARZJBVAVOJAI-GFCCVEGCSA-N 433.180 4.855 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 21355821 CWKSAIUWYNPLCA-XMMPIXPASA-N 449.551 4.668 30 10 IJEE COc1ccc(OC)c([C@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 28886648 KMZFLTOLXYADAL-GJZGRUSLSA-N 427.570 4.584 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C)nc2C#N)cc1Cl 33959298 LQBJGEMCBHHKSA-BRJLIKDPSA-N 432.871 4.815 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1 41587289 FAJCRHHRVDTPCD-FBHDLOMBSA-N 447.512 4.811 30 10 IJEE Nc1ccnc(/C(O)=N/c2c(Br)cc(Br)cc2Br)c1 50700644 KOGMAOBBGQYZJK-UHFFFAOYSA-N 449.928 4.588 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)c1 59015781 PRHJMHBISDEJPV-LSFURLLWSA-N 449.367 4.905 30 10 IJEE O=C(c1ccc(C(F)(F)F)s1)N1CC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96310027 FPNKWWQOHZOQFK-HXUWFJFHSA-N 449.502 4.625 30 10 IJEE biogenic CCCCCCCC(=O)N1CCC(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1 102992014 OJQIHRFLPILVFI-UHFFFAOYSA-N 441.660 4.709 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1C 165780957 DCGTXOBWYCPTSY-JXMROGBWSA-N 445.471 4.646 30 10 IJEE CCCCCCCCCOc1ccc(/C=N/Nc2cn[nH]c(=O)n2)cc1Br 169888002 GWRGCRIBUCUMIQ-FYJGNVAPSA-N 436.354 4.503 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 169930958 DLOLPCRSZJBFHL-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1OC 169951446 RONCRKNLQVPYGY-NRFANRHFSA-N 439.483 4.672 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(C)c1 169970508 SAVVLRNMNNLKGI-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)s1 169994248 VOPUJMGCGLDYLX-GOSISDBHSA-N 439.924 4.900 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2c[nH]c3ccccc23)c1 170074858 RDZYFKWVARNKKS-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103232 RTIHPESSVCQGNE-IBGZPJMESA-N 433.851 4.901 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140179 FDHFFWCURBGKMC-NRFANRHFSA-N 432.407 4.825 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1ccccn1 170180432 ILBLGWSHPSYYAP-QGZVFWFLSA-N 435.307 4.775 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccncc3)oc12 170203540 ZTXPLKWDQQPZBU-NRFANRHFSA-N 426.428 4.619 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1 170230895 NWXIWNINPDZIPL-OAQYLSRUSA-N 448.906 4.831 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccco2)c1 170279118 SYHHMXVZECJWSS-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCN(C)C 170318422 SYBHGDCNPWMLFO-MRXNPFEDSA-N 439.364 4.503 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1)c1ccccc1 170353960 ZYOSQUCNONRBAQ-IBGZPJMESA-N 440.377 4.763 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170367751 QKLPEBMMHKHVTC-OAQYLSRUSA-N 434.879 4.786 30 10 IJEE Cc1cccc([C@@H](C#N)C(=O)c2cc(I)ccc2Br)c1 235928995 SQPAMZFPLULOBU-CQSZACIVSA-N 440.078 4.852 30 10 IJEE COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 252462651 VARMMZSQFVVUGX-NRFANRHFSA-N 431.517 4.860 30 10 IJEE COc1ccc(C=NNc2ccc([N+](=O)[O-])cn2)cc1OC(=O)c1cccc2ccccc12 254591933 GMQFMBUFZPHTQG-UHFFFAOYSA-N 442.431 4.817 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460567960 QTPCZGGOMYSXER-HYHKQLJDSA-N 447.608 4.948 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O 473771633 FBEADIIUWVDMGU-UHFFFAOYSA-N 442.002 4.537 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(Oc4ccc(F)cc4F)cc3)CC2)cc1 483113092 BGORWNYJEICLRL-UHFFFAOYSA-N 433.458 4.587 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](c2ccsc2)C1 508831648 FSKRLDHISXNVBE-KRWDZBQOSA-N 449.349 4.672 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCc1noc(Cc2ccc(Br)cc2)n1 521365661 ACKQWPZKDJQYGL-UHFFFAOYSA-N 430.258 4.639 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 555238510 UPFSMPLXIZGNGN-GOTSBHOMSA-N 437.632 4.567 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 558993471 MHMACMOIFXRWHF-UHFFFAOYSA-N 447.558 4.748 30 10 IJEE Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c1 572327327 CPADLQVKZHXICG-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C=C(C)CN(c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251940 VNLRDWRDNWOFDF-UHFFFAOYSA-N 433.570 4.781 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 669816259 KICUTQCFNWMMLP-YKSBVNFPSA-N 448.567 4.752 30 10 IJEE COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728667870 DPBLAHAVYBKPBJ-ZWKOTPCHSA-N 444.487 4.782 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2oc3ccccc3c2C)C1=O 734300306 NTFHCYLXHOSHSM-NRFANRHFSA-N 435.549 4.626 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1=S 742162036 LMNXCPPZQNKXIY-PGRDOPGGSA-N 438.572 4.749 30 10 IJEE C#CCN(C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12)C1CCCC1 757086944 YOVQRBFQHDPMGR-HSZRJFAPSA-N 445.563 4.904 30 10 IJEE C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807247740 DVVUBPZGMFMMPA-MRXNPFEDSA-N 443.528 4.869 30 10 IJEE O=[N+]([O-])c1cccc([N+](=O)[O-])c1C=NNc1c(F)c(F)c(C(F)(F)F)c(F)c1F 1088703842 CUMYSMKVEZENOX-UHFFFAOYSA-N 426.204 4.524 30 10 IJEE CN(CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(=O)OCc1ccccc1 1124238612 AYLYRFUQACGJNE-QGZVFWFLSA-N 439.581 4.978 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(-c2cccc(C#N)c2)cc1 1127993143 BOWOINWXOAEWRC-OYLFLEFRSA-N 431.442 4.874 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)c1 1134626969 WIHXNFFDYOHPNT-UTKZUKDTSA-N 442.581 4.838 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncc(Cc4ccccc4F)s3)n[nH]2)c1C 1136301583 HFWNNSBFFXFWGS-UHFFFAOYSA-N 436.516 4.515 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(Cc3ccccc3)Cc3ccccc3)n[nH]2)c1C 1136434175 MUIVUQFOLKEYKM-UHFFFAOYSA-N 439.563 4.660 30 10 IJEE CCCc1c(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cnn1-c1cccc(C#N)c1 1154625770 GYDPNSPVIDJXNS-OALUTQOASA-N 443.551 4.562 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)C1 1163027953 VQOXOCISHJDNNY-GOSISDBHSA-N 439.581 4.956 30 10 IJEE C=CC[C@H]1CCN(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)C1 1192905787 RKBBPNJGSRAHOB-AWEZNQCLSA-N 440.334 4.967 30 10 IJEE C=C[C@H]1CCCCN1CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 1193941891 IVSYUCSLEYYASY-PGRDOPGGSA-N 442.485 4.828 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(Br)c2C)cc1 1199059152 NCALHCQTPFTCMP-UHFFFAOYSA-N 442.357 4.893 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 1206338533 UMUBOKKPGWVQCZ-UHFFFAOYSA-N 439.928 4.862 30 10 IJEE CN1CCC[C@H]2CN(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CC[C@@H]21 1219255743 BJMKRKHCHQJHGI-WFASDCNBSA-N 441.391 4.924 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)cc2n1 1220157444 JZHYFDUODYIRGN-HXUWFJFHSA-N 441.329 4.590 30 10 IJEE C#CCOc1ccc(CNC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)cc1 1221493600 LDTMDKMBDDJTNC-QFIPXVFZSA-N 447.501 4.600 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1cc(F)ccc1Oc1ccc(Cl)cc1)[C@@H]1CCCO1 1226724837 OBQUWOBQCDPCET-IRLDBZIGSA-N 430.907 4.984 30 10 IJEE C#C[C@H](NC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1252478835 GGDIIQNYMIIIMZ-GBXCKJPGSA-N 444.934 4.752 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc(OC)c1OC 1265117102 MWJJGCMLNBNEMN-FQEVSTJZSA-N 446.588 4.636 30 10 IJEE C[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1ccc(Cl)c(Cl)c1 1271548235 GOXZQUFIOKPFBD-SNVBAGLBSA-N 428.113 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@H]1C 1286283501 XQIJANIZIBTSIO-ZWKOTPCHSA-N 437.588 4.755 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(F)c1 1286317731 OKKNRULIOLLGGK-UHFFFAOYSA-N 427.911 4.581 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1ccsc1 1286338397 MCXRQZYWTHRLCT-NRFANRHFSA-N 433.581 4.964 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCO[C@@H]1CCCC[C@H]1C 1286433814 LYIYYNGOKRAKHM-ILBGXUMGSA-N 448.611 4.532 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC=C(C(F)(F)F)CC1 1286684841 NXPYSANGWVHSCF-UHFFFAOYSA-N 434.462 4.771 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286696391 CEJPUUSGOGKICH-UHFFFAOYSA-N 436.869 4.800 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)c1ccsc1)C1CC1 1286732377 RDJYUZDNPPEBSO-MWTRTKDXSA-N 442.560 4.681 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1C[C@H](C)O[C@@H](C)C1 1286741048 BCHWGFITKGEION-OALUTQOASA-N 430.556 4.541 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCCO[C@@H](C)C1)C(C)C 1286750592 DNCUVHFUVBIZKW-LADGPHEKSA-N 437.632 4.567 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1 1287305888 BCGQEOFWVLUCOT-FCHUYYIVSA-N 435.597 4.966 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)C1)OC 1291941487 GIDJLCJHPIGOCW-LAUBAEHRSA-N 427.618 4.600 30 10 IJEE C=CCOc1ccc(CNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)cc1 1297642164 WITVAOFWTYOGEX-UHFFFAOYSA-N 427.570 4.694 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC(C)(C)CN1CCCC1 1300644216 YPBPYIPODAXUOG-FQEVSTJZSA-N 425.596 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1)C(C)C 1300884862 MJKOQKCGNGTJCM-XJUOHMSHSA-N 442.579 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H](C)c1ccco1 1300893203 YDJAXJNTQBOYJA-SKPFHBQLSA-N 436.556 4.671 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(CCc2ccc(F)cc2)C2CC2)nnc1C(C)(C)C 1300898453 XPXSGKOWEYEYLZ-DENIHFKCSA-N 426.580 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)c1ccccc1 1300925257 SNRLCPZGUCXIKC-DNRQZRRGSA-N 426.605 4.507 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]2CCC[C@@H]21 1301001810 NOYDUNMTRSREII-UXHICEINSA-N 442.629 4.941 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1301033358 HNPXPUSUYZUFLX-UHFFFAOYSA-N 440.979 4.615 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2ccccc2OC)CC1 1301137111 KNAKHYWUWUKWQO-HXUWFJFHSA-N 425.621 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Cl)s1 1301149952 JAKHWMNZEOTPDM-UHFFFAOYSA-N 447.992 4.959 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCCCO1 1301207220 RMAKAEAGUNWIQV-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1301215992 ARXGFZJJHKPSJH-UHFFFAOYSA-N 440.588 4.967 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cscn1)c1cccnc1 1302513073 HMHMZCFJZPOFBZ-QFIPXVFZSA-N 443.580 4.744 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1)C(C)C 1311389252 XNLGJQMGXZSMSI-RCZVLFRGSA-N 435.616 4.664 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccco1)c1ccc(Br)cc1 1312880302 XABWROWBLTZPLM-PZJWPPBQSA-N 439.309 4.814 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CCOC)C1 1314596110 AVMGOULEAONYHR-NRFANRHFSA-N 441.645 4.991 30 10 IJEE Cc1nc(SCC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c(C#N)c(C)c1C 1349560715 FKFPQIPUHYAGDH-HXUWFJFHSA-N 442.654 4.622 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nc3ccc(C)cc23)c1 1350924531 UBCOEMIITJOJMU-UHFFFAOYSA-N 439.540 4.964 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](OC)C1CCCC1)c1ccc2c(c1)OCCO2 1351530929 HKEJXQAQMIXDML-RUZDIDTESA-N 437.536 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CCCNc1ccc(C(F)(F)F)cn1 1358882487 AQWKDCGIUAQYDJ-QGZVFWFLSA-N 442.489 4.627 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCCOC1 1358921134 PKRNRVGBMWLDJA-JOCHJYFZSA-N 431.584 4.629 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1359062144 XHOWIZRXZWYILT-RBUKOAKNSA-N 444.670 4.960 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1ccc(O)cc1 1359066416 ABPHNJKHXAFQMG-HXUWFJFHSA-N 443.370 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1359066583 HDANTFRLVFSVGN-UMEGOILYSA-N 440.035 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359103393 NOGHYJZEUJJWBK-QRICJDHISA-N 444.570 4.772 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1359119200 AUUMFNLTNLYOAK-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CN(CC)CC)C1 1359124202 ONWWCPMTIFVZNX-OAQYLSRUSA-N 439.648 4.899 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCc2csc(CC)n2)CC1 1359181577 XXVQUFRHKADNHZ-UHFFFAOYSA-N 437.613 4.830 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)C(C)(C)C 1359260811 OSMMKIRJUMESJK-CTNGQTDRSA-N 430.568 4.565 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)O 1359264357 CNGYJZVSANILAQ-UHFFFAOYSA-N 432.977 4.536 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C 1359265664 KBODGZXNXGHXST-MBDNFAEBSA-N 447.693 4.549 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCCCC1 1359266977 QUCXBNBZDZCSHU-IBGZPJMESA-N 428.552 4.821 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCOC[C@H]1C 1359267546 KDUJJQCKDUQKOZ-HZPDHXFCSA-N 449.368 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)[C@H](C)CC 1359268685 ZKSNGNSVDCTXHJ-VGOFRKELSA-N 447.421 4.992 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1C[C@H](C)O[C@@H](C)C1 1359278669 CBIPBFFDGBRWQI-PMACEKPBSA-N 449.599 4.644 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359308980 DSYWKDWFEROMFB-GOSISDBHSA-N 443.473 4.732 30 10 IJEE CC(C)(C)c1csc(Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)n1 1359499988 DMTVBSYJAURMSB-UHFFFAOYSA-N 448.640 4.996 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2 1359926118 CXWLWWKJSNHPBW-UHFFFAOYSA-N 431.968 4.641 30 10 IJEE C#CCN(C(=O)C/C=C\c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1360310600 IZMNFKJQLYNLTL-XQQSMPNESA-N 428.301 4.977 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 1440936858 IPPHJIYESXGMLM-ZDUSSCGKSA-N 434.842 4.526 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(CC)CC(=C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1458727604 BYQLOIWWHRTLTQ-HOTGVXAUSA-N 445.654 4.674 30 10 IJEE COc1cc(CN2CC[C@@H](N(C)Cc3ccccc3)C2)ccc1OCc1cccc(C#N)c1 1459617125 CHNISTOMHHBVOU-AREMUKBSSA-N 441.575 4.852 30 10 IJEE COC(=O)C[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccc2ccccc2c1 1460671089 CFTJMDZTIAUFAF-QFIPXVFZSA-N 447.560 4.544 30 10 IJEE N#CCc1cccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 1462723234 HFYOVCANGUOEER-JOCHJYFZSA-N 449.963 4.998 30 10 IJEE CSc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)N(C)C)cc1 1465431219 AHPZUVWNQQUJDS-JOCHJYFZSA-N 447.564 4.892 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)cc(OC)c1OC 1468362242 VAERAGRRYHBRPR-BTYIYWSLSA-N 432.948 4.661 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 1468848050 LZTQBFQHCRDXOG-UHFFFAOYSA-N 432.442 4.686 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1476008197 ZQLKUIYUGKLMMX-NSHDSACASA-N 445.397 4.687 30 10 IJEE C#CCC[C@H](O)CNC(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1477111463 MUIMNLSARXGHRB-SFHVURJKSA-N 437.378 4.694 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1 1477465399 WCFLREFYQAIVLC-SJCJKPOMSA-N 436.147 4.946 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(CC)C2)c(C)n1 1500518212 CUNSFSBFDOLCRP-RUZDIDTESA-N 431.588 4.797 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1C(F)(F)C12CCC2 1507642134 GXHQAXXZHWAIOU-TZIWHRDSSA-N 438.522 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1CCO[C@@H](C)C1 1507762608 WSQKMXAZFXYAJG-HOOSLVGPSA-N 442.991 4.804 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1csc(Br)c1 1507798254 GPTSPCIOKBOQPY-NVXWUHKLSA-N 437.407 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN1CCCCCC1 1507816419 LBZWUSRXEKMDIX-UHFFFAOYSA-N 446.437 4.986 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC(C)C)C1CCCC1 1507931124 TZBBQIGBVIPKHC-UHFFFAOYSA-N 448.615 4.953 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)c1ccc(C)cc1 1507940058 WPWIKIJIWBNUHQ-UHFFFAOYSA-N 438.601 4.589 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1ccccc1)C1CC1 1507987476 DBWFMJMLUZHNKK-HNNXBMFYSA-N 426.362 4.994 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H](c1c(F)cccc1F)N(C)C 1508008117 KQDAXAJPVMNEPN-LJQANCHMSA-N 431.556 4.676 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCc1ccccc1OC 1508008197 DLWPLJOWAOAURT-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC(C)C)CC1 1508047430 CQFJXASACPHQCG-LJQANCHMSA-N 432.012 4.652 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](CN(C)CCC)C1 1508050839 BZKZYTAJGMNYOU-JOCHJYFZSA-N 432.616 4.707 30 10 IJEE C=CCOc1ccc(Cn2c(Nc3cnn([C@@H]4CC4(F)F)c3)nnc2[C@H](C)CC)cc1 1508103485 DORWKBUGDMLTHV-DNVCBOLYSA-N 428.487 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(Cl)s2)C1 1508125795 IYYJKSUTUPQCCB-MRXNPFEDSA-N 435.018 4.669 30 10 IJEE C#Cc1cccc(N(C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)C(C)C)c1 1520607065 XYJXLEOFQWCICQ-SFHVURJKSA-N 439.353 4.533 30 10 IJEE CCc1ccc(C(=O)OCc2ccccc2Oc2ccccc2C#N)cc1S(C)(=O)=O 1521370454 FMGAKMPFDDYCHY-UHFFFAOYSA-N 435.501 4.673 30 10 IJEE N#Cc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1Br 1524606224 GBFFACHEADOZCN-QFIPXVFZSA-N 435.321 4.800 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)c1ccc(Br)s1)c1ccc(Br)cc1 1525054423 NCJIUTJFFBQFEH-GWCFXTLKSA-N 427.161 4.867 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 1529135090 HBSWKVGAHZEFME-NRFANRHFSA-N 429.950 4.738 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3ccc(Br)cc3C2)cc1OC 1532498371 KRNROXSYWBKCSJ-WEVVVXLNSA-N 428.326 4.621 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc(I)c1C 1533107277 FTQDNSOLSVBVNS-BETUJISGSA-N 446.126 4.685 30 10 IJEE CC[C@H](CNC(=O)c1ccc(Br)cc1C#N)Oc1ccccc1C(F)(F)F 1533917751 DRDBYYDYBCHOHD-CQSZACIVSA-N 441.247 4.927 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)c1ccc(Br)cc1 1535484062 VYHQGDLBCLCMQA-NVXWUHKLSA-N 449.142 4.568 30 10 IJEE C#CC[C@]1(C(=O)Oc2cc(C)c(Br)c(C)c2)CCCN1C(=O)OC(C)(C)C 1537225369 UGUTYPJEZBXQKE-OAQYLSRUSA-N 436.346 4.764 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1538440785 NVADPQXPPZDYFS-XMMPIXPASA-N 448.966 4.920 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](N(C)C)CCc3ccccc32)s1 1538770216 FQXSAMARLCPZTC-KRWDZBQOSA-N 436.046 4.748 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1oc(CCC)nc1C 1539566011 BMSGGQAWJLBLMS-AREMUKBSSA-N 447.583 4.763 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(COC)CC1 1539624880 WVDOSKOQZKHQQK-LAUBAEHRSA-N 448.970 4.582 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1539690919 UDYSVMFPRWXZAA-KRWDZBQOSA-N 425.964 4.893 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](CC)OC)CC1 1539854208 NRHRKFLCAHRWDD-HXUWFJFHSA-N 432.996 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(N(C)C)CCCC2)CC1 1539874826 KMIHSEZOQVWDKJ-UHFFFAOYSA-N 445.558 4.823 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1540005689 LYHDBHQOZKDRQL-UHFFFAOYSA-N 439.604 4.637 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1csc(CC)n1 1540087067 MRWKODMFOWPHOI-UHFFFAOYSA-N 425.602 4.978 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(C(=O)NCC)CCC1)C1CC1 1540098469 DFNVAJMIGCRETN-UHFFFAOYSA-N 435.616 4.704 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ncc(CC)s1 1540159157 XYAOIVNHEHIDRH-UHFFFAOYSA-N 429.977 4.853 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1540909348 FOVWYBOAMXSWHJ-YPAWHYETSA-N 426.630 4.602 30 10 IJEE C=CCC[C@@H](C(=O)NCc1c(Br)cncc1Br)c1ccccc1 1543870628 AITLZMNKVNZTHL-CQSZACIVSA-N 438.163 4.973 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)c(OC)c1 1544184724 KCHUTXSLTVZKAY-QFBILLFUSA-N 444.369 4.970 30 10 IJEE COc1ccccc1[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC#N)OC(C)C 1555036330 CNPQONLXFOOWII-AUSIDOKSSA-N 448.571 4.562 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C 1556660253 JOEYLRCHVYGAJS-HOTGVXAUSA-N 447.016 4.675 30 10 IJEE C=CCC1(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)CCOCC1 1557420382 OCAMXLXAHVEZGJ-UHFFFAOYSA-N 425.579 4.692 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)c1ccccc1 1558718395 GSTOSTONLRXWSP-PMERELPUSA-N 435.427 4.829 30 10 IJEE C=CCN(Cc1ccccc1F)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1559495554 JXGMHBADLROZIA-OAHLLOKOSA-N 440.500 4.873 30 10 IJEE CC(C)COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccco1 1559735195 HGGLWHNBTHWXIM-LPHOPBHVSA-N 429.586 4.670 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 1561011221 DXTBZXDIOHLCAS-NVXWUHKLSA-N 446.897 4.630 30 10 IJEE COCCN(Cc1ccc(C)c(C)c1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1562533929 HYCGCCLUNZNVMR-UHFFFAOYSA-N 437.931 4.695 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCC[C@@H](O)COCc2ccccc2)cc1 1562811906 DOXCSVHPQFBHSY-JOCHJYFZSA-N 447.560 4.799 30 10 IJEE COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)NCCc1ccc(C#N)cc1 1565064411 HBUSOUBWLWZBNM-NRFANRHFSA-N 427.548 4.952 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(COc3ccccc3C#N)o2)nc1 1585320057 FXNBSAWBXFCWLD-UHFFFAOYSA-N 434.455 4.844 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1587759798 ZVRPXDGOKZKZCE-BJKOFHAPSA-N 431.584 4.654 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CC)CCOCC1 1587909722 RNLSWURFQVCKHD-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C/C=C/c1ccccc1 1588386517 PQFLQWPBKPADGV-SDNWHVSQSA-N 449.599 4.566 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(OC)CC1 1588985540 UQWVIXVKPLYTMI-URXFXBBRSA-N 426.630 4.582 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C(C)(C)C)C1 1588993203 GNNCQIMFDSZHCK-LJQANCHMSA-N 434.613 4.574 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCOc1ncccc1Cl 1589669383 SGXBCQVQRLNOCD-UHFFFAOYSA-N 447.917 4.677 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1)c1ccccc1 1594552237 JRXPHYFJVDGBSE-VWNXMTODSA-N 438.616 4.755 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(F)(F)CC1 1594573685 XDDMEXDRWHXJPA-UHFFFAOYSA-N 436.503 4.563 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1594624746 ATNOXBQKGSEEOM-UHFFFAOYSA-N 444.023 4.839 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1cnn(CC(C)C)c1C 1595085268 STRIKPNFXGNNBA-UHFFFAOYSA-N 431.588 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCN1CCC[C@H](C)C1 1595196559 XCJNJGCFFMHBPM-SFHVURJKSA-N 444.421 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1595223685 YKEUPZXUTDDHEW-FQEVSTJZSA-N 439.604 4.611 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C)[C@@H]1C 1595844609 FJZICGAOWCXQCR-ULQDDVLXSA-N 436.622 4.807 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1595866362 HZFXLFANGSEDDQ-MRXNPFEDSA-N 428.631 4.784 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 1595884289 JJKSAPSVQVJTKE-GOSISDBHSA-N 425.602 4.921 30 10 IJEE C=CC1(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CN(C(=O)OC(C)(C)C)C1 1596611802 RASGGDZJOIAMQA-UHFFFAOYSA-N 431.533 4.625 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 1597769915 PEVDQLAJEYRTRN-UHFFFAOYSA-N 444.940 4.605 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1611365735 ADUMPGWFBYWBCO-YCRPNKLZSA-N 429.952 4.981 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@@H](C)[C@@H](c3ccccc3)C[C@H]2C)n(Cc2ccco2)c1C 1618195419 BPSJOFHVLUFCFH-MONBJTKQSA-N 430.552 4.823 30 10 IJEE CO[C@@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1)C(C)(C)C 1618974929 ABYSYTHKAOABQX-KKSFZXQISA-N 441.645 4.932 30 10 IJEE COc1ccc2c(c1)OC[C@H](NC(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2 1622944816 DIBAHTIRDNVIED-LJQANCHMSA-N 429.476 4.793 30 10 IJEE Cc1ccc(S[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2)c(C)c1 1623849523 BSOBGVKXDWLMBJ-VWLOTQADSA-N 442.588 4.752 30 10 IJEE C#C[C@@](C)(CC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1627870555 IRXVKNCEHVXZLK-HNEHEIDXSA-N 432.564 4.858 30 10 IJEE C=CCCC[C@H](C)NC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1632683053 KOUNIMSYSLYWOR-HTAPYJJXSA-N 443.385 4.710 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 1638168862 UGEIYWAQMOQRJW-UHFFFAOYSA-N 433.040 4.628 30 10 IJEE Cc1ccc(-n2cnc(=O)n2CCC(C#N)(c2ccccc2)c2ccccc2)cc1Cl 1641180084 DIYGDSCWSRXHPU-UHFFFAOYSA-N 428.923 4.896 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(C)c1NC(=O)c1ccncc1)c1ccc(Br)cc1 1641517588 LFDNJZAHCVLPGE-HXUWFJFHSA-N 448.320 4.509 30 10 IJEE C=CCn1c(SCc2ccnc(N(C)C)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652349405 XPJYHKGSAXWQQL-CQSZACIVSA-N 426.611 4.522 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 1653659517 RDAITXBQVRDTBI-MSOLQXFVSA-N 425.476 4.670 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)Cc1ccc(Br)cc1C)c1ccc(F)c(F)c1 1655032325 XSOYEWBUFYYXPY-SFHVURJKSA-N 430.314 4.773 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2cc(Br)ccc2OCCC)CCCC1(C)C 1655171734 LIUWIMBKYKWVPW-SFHVURJKSA-N 430.408 4.993 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CC[C@H](c4c(F)cccc4F)C3)c2C#N)C1 1655547955 DIRMQZFGEKKQKA-GJZGRUSLSA-N 429.536 4.841 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1Br 1655652703 GUWGVCNRBSGGNZ-CZUORRHYSA-N 439.762 4.589 30 10 IJEE C#C[C@@H](N[C@H](C)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1F 1658081236 HITRZUFNNQXLGC-OPAMFIHVSA-N 426.919 4.988 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 1662453888 DFCAOEHIGPFKGE-GOSISDBHSA-N 448.498 4.682 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 1665131850 VVXJRCFDYLBXNP-LJQANCHMSA-N 435.524 4.756 30 10 IJEE C=CCC[C@@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1668876408 APPMBVOETFBGSC-LJQANCHMSA-N 437.437 4.581 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H](COCCC)Cc2cccc(Br)c2)c1 1669079617 XESYLQNJUHOKQO-HXUWFJFHSA-N 445.357 4.621 30 10 IJEE C#C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1ccc(Cl)cc1 1674020062 BFDHSSHNXCZITP-FQEVSTJZSA-N 448.792 4.550 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)Nc1cccc(Br)c1I 1678775297 XVFJRJMTJGZTPF-SNVBAGLBSA-N 435.103 4.626 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 1681091027 XXLCMOVOYXQADW-DEOSSOPVSA-N 432.545 4.599 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21)c1ccc(Cl)cc1F 1682366579 GTTUBVFFYRLQLL-GDAAHCPNSA-N 433.708 4.553 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 1682684547 UHHXRNRHDCTDHL-PIUNOOANSA-N 447.988 4.810 30 10 IJEE Cc1ccc(CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(OCC(F)(F)F)c1 1685467431 FVXZNZUWGJNATE-UHFFFAOYSA-N 431.458 4.897 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1689842911 KYTSUBXOASQCSG-PVAVHDDUSA-N 434.462 4.500 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(SC)CC1 1690007741 IGIVIOCDRPCRIN-UHFFFAOYSA-N 436.581 4.781 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCC[C@@H](O)C1 1690061418 XJQHRLNYRQBKBM-JKSUJKDBSA-N 428.989 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(Cl)c1 1690242795 CNVMSHRBQNVZEG-UGKGYDQZSA-N 437.975 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)c1nc(C)cs1 1690271032 AZAPGROQAQVNOZ-MRXNPFEDSA-N 429.565 4.967 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1690305794 IFDNCDMDUOKHQD-NQIIRXRSSA-N 437.975 4.969 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1690335952 OFMFSFYGTKHKQZ-SFHVURJKSA-N 430.339 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690422416 OBYBLDZAGOMBOC-LJQANCHMSA-N 445.995 4.916 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC(C)(C)C1 1690451768 OUQGALHKDLCYEP-UHFFFAOYSA-N 429.996 4.844 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690465964 SJLXDCTYNLKNKN-KRWDZBQOSA-N 443.539 4.538 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C(C)(C)C)no1 1690601007 NLWHVMKRXBOAMY-UHFFFAOYSA-N 435.572 4.986 30 10 IJEE N#CCC1CCN(c2nnc(C3CCC3)n2Cc2ccccc2OCC(F)(F)F)CC1 1698491473 CPIQWBUYGWLWJL-UHFFFAOYSA-N 433.478 4.665 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1csc(CC)n1 1705477805 SCJAOXVMSPXJJV-CVEARBPZSA-N 444.004 4.791 30 10 IJEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CC1CCC(C(F)(F)F)CC1 1705580272 GOWSYGVXHJSBSH-UHFFFAOYSA-N 439.485 4.868 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cccs1 1705617917 LVIGLOSVTYGDPA-UHFFFAOYSA-N 435.380 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H](C)N1CCCCC1 1705712932 MNWYOQJWUUIYIN-IBGZPJMESA-N 426.565 4.520 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1705721878 FQULQOZOZZSEAU-QHCPKHFHSA-N 439.648 4.756 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)[C@@H](C)CC)CC1 1705766404 ZFHBNRCTLGXODG-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCC(C)C)CC1 1705768205 YCHGFAOCTGGBHH-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](CC)N2CCCC2)CC1 1705777317 FFGFVAFPWYTYLA-HXUWFJFHSA-N 445.558 4.823 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C/C=C/CC)CC1 1705781559 CFUBZHWEQMDVGD-CMDGGOBGSA-N 429.609 4.761 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCN(C)C(=O)OC(C)(C)C 1705834364 JJSOYGKYEYFDCP-FQEVSTJZSA-N 427.593 4.699 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1705871270 DFVZIIGCGDQPKZ-RTBURBONSA-N 443.039 4.928 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)[C@H]2C[C@@H](OCC)C2(C)C)nnc1C(C)(C)C 1705914137 HIXLYPGWUPDEDU-LEWJYISDSA-N 426.605 4.829 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(CC)CC2)C1 1705921424 RTYQWTZLSPFOPT-MRXNPFEDSA-N 449.368 4.818 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCCc1nc(C)cs1 1722300337 YSHJXMSCMULLHY-HXUWFJFHSA-N 437.613 4.720 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCCN1CCC[C@H](C)C1 1722343938 FUOHGTSUCYBIHU-NZQKXSOJSA-N 437.632 4.616 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccnc1OCCCC 1722345271 HCFOKODGKKSDQH-SFHVURJKSA-N 449.624 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC(F)(F)C1 1722390121 BCVOPEWHOZUZPD-QZTJIDSGSA-N 446.929 4.970 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(CCC)Cc1ccc(F)cc1C 1722481939 CKILFMHCBUWQHH-QGZVFWFLSA-N 437.357 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)CC(C)(C)C1 1722492086 DIXAUVNTBPCLHH-QFUCXCTJSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)cc1F 1722509086 LOAGPSIZVVUASV-PGRDOPGGSA-N 444.551 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1722516332 XPBNZFLPGMKUPL-QHCPKHFHSA-N 439.648 4.595 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1oc2ccc(F)cc2c1C 1722518596 ZKWCYJXTMIDYLU-JTSKRJEESA-N 442.535 4.647 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1722579167 LDODFFJSUZBLCM-LJQANCHMSA-N 448.615 4.745 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC1 1722594966 HSPOJMHQTBBGDD-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC1CC(F)(F)C1)c1ccccc1 1722595855 ZYHPHEVIYYMXKH-LJQANCHMSA-N 426.515 4.520 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C(C)(C)C 1722692914 XAPABTBXCWUMBT-RBUKOAKNSA-N 447.624 4.590 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2NC(=O)OC(C)(C)C)C1 1722709098 JNHCIMWIIMSACH-LJQANCHMSA-N 441.576 4.578 30 10 IJEE CC(C)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1723096425 AIQGTFOGZLAQJT-JOCHJYFZSA-N 449.555 4.582 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)N(C)C)C1 1726454067 FFPFAJHWCQPWKG-JXALWOEJSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CCC)CCC1 1740554986 YXEOKBZSCVJKFI-PMACEKPBSA-N 443.636 4.821 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740568860 SMLFFLUCFKOLDY-ICSRJNTNSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](OCC(C)C)C1 1740572642 RELJLQWQTFYBNI-GOSISDBHSA-N 445.405 4.762 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cn(CCCC)nc1C 1740613731 RUOZNBPLUUIDPD-UHFFFAOYSA-N 448.615 4.577 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@@H]1C 1740688060 LQJHWABPEZQUPS-LEWJYISDSA-N 438.616 4.677 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1CC 1740753040 DZIUJHFJSBJTAU-BJLQDIEVSA-N 432.515 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1740761676 PFDOUEFTJWWBRC-OFNKIYASSA-N 440.588 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCCCCC1 1740770129 HIPHZMBUZFHUAA-UHFFFAOYSA-N 442.604 4.840 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@](C)(CC)C1 1740787964 MVUBUEJSHZSIPW-DEOSSOPVSA-N 444.645 4.874 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)c1cccs1 1740860316 ZRPDFRTVOKVXLJ-QGZVFWFLSA-N 444.626 4.964 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@H]2CCOC2)CC1 1740869446 NNDYKVPCSMWWSU-SFHVURJKSA-N 430.980 4.826 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740903762 KFDKUWQHGDKXTH-LJQANCHMSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1nccs1 1740915163 WMNFWNXSGBSTFR-GOSISDBHSA-N 443.580 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1Cc1sc(C)nc1C 1740916390 LLCCNYFLIRNHQV-NRFANRHFSA-N 448.596 4.706 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(SC)CC1 1740938959 PDQBVHLPDDZTPV-UHFFFAOYSA-N 427.401 4.786 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)C1 1744229704 DEWGELXVZDNPIF-QHCPKHFHSA-N 436.947 4.571 30 10 IJEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1746034925 GPHFWZWMVZJXMT-XZOQPEGZSA-N 448.615 4.624 30 10 IJEE CN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC(C)(C)C1 1747784388 AQJCNZHNQVJJAG-UHFFFAOYSA-N 434.613 4.637 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1CCCC[C@@H]1C 1748657799 JMDRODONLXGRMZ-SFTDATJTSA-N 430.600 4.606 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1748724837 JSKXUJQIFQZPSG-HXUWFJFHSA-N 425.646 4.759 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C1CCN(CCC)CC1 1748735227 NGDSDMCANLQACX-UHFFFAOYSA-N 439.673 5.000 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@@H]1CCO[C@@H](C)C1 1748770702 DLSKNPCDUYXPJR-SLFFLAALSA-N 445.007 4.963 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCOCCCC 1748828282 ADLPAYVYUMUWMR-UHFFFAOYSA-N 426.973 4.703 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C)(C)CC1 1749124755 OZWSVOPWWDBSBI-PGRDOPGGSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1749143909 OIDZGLPFSFTXQN-RTBURBONSA-N 431.625 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1749163518 MHXXYBVLTGBUSO-RXVVDRJESA-N 431.650 4.878 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(Sc3ccccc3)CC2)CC1 1749285617 QMXKKKHLBRUUJN-UHFFFAOYSA-N 439.629 4.678 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2CCOCC2)CC1 1749288307 QYQDJIODUKGLCB-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(c3ccccn3)CC2)nnc1C(C)(C)C)c1ccccc1 1749386243 YHXDQZZECYGRGA-QFIPXVFZSA-N 430.600 4.657 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749396342 ZYQPSVMEFDXTJB-QGZVFWFLSA-N 429.977 4.989 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749402820 SRFCJUVUFDDBJJ-UXHICEINSA-N 447.624 4.712 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1749407115 VBVDRJLIUQXPRT-GOSISDBHSA-N 439.585 4.869 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@H]1C 1749444952 GVMQAKXWNCELCX-IAGOWNOFSA-N 437.009 4.606 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 1749511111 DKNYBBFJDGZKHJ-UHFFFAOYSA-N 437.588 4.529 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCCCCC1)C1CC1 1749527337 ACHAJYVQCWKPBL-UHFFFAOYSA-N 430.980 4.751 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C 1749558362 TXQCRYGNUOTUSQ-SFTDATJTSA-N 431.669 4.569 30 10 IJEE C=CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1749634922 MNVWILJGHWHPHW-UHFFFAOYSA-N 425.455 4.614 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)CC(C)(C)C1 1760130383 JEGQRFGDEHIPKW-MRXNPFEDSA-N 432.410 4.722 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC1CCCCC1 1760195685 IVOREXFFODWRSL-UHFFFAOYSA-N 441.579 4.614 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cccc(C)n1 1760239455 JIYVYRMERMBXJP-UHFFFAOYSA-N 444.366 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)CCOc1cccc(Cl)c1 1760316746 WPARSNVQRAHKOZ-OPYAIIAOSA-N 432.996 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1760322523 UBHYARCBBIOTQU-LSQMVHIFSA-N 438.616 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1cc(Br)ccc1OC 1760332929 QMDNJFMPWWNGIM-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1760345765 SMMJZKSCCKTERW-CABCVRRESA-N 441.523 4.955 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760355304 FDHZQISYONHFQM-VWLOTQADSA-N 437.588 4.661 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CCCC1 1760423191 YTLRXTABTUEPLN-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1760438632 LACJJRVQUGPMEK-JTHBVZDNSA-N 429.653 4.967 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(OC)CC1 1760444584 LDYPPBVJFSXXAR-YADARESESA-N 447.624 4.712 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C1CC(C(C)(C)C)C1 1760479228 IPEHJEOVMVMXGL-UHFFFAOYSA-N 427.556 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](C)c1ccc(F)cc1 1760486106 CXKACMWXOAUZPG-KRWDZBQOSA-N 434.544 4.932 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](O)CC3(CCCC3)C2)cc1 1760529260 BHHJNPBXJQNUDL-NRFANRHFSA-N 438.616 4.611 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2(CCOC)CCCCC2)C1 1760539669 SOEUZWJQRFXUDE-FQEVSTJZSA-N 428.577 4.615 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(Oc2ccccc2)nc1 1761023302 CQBVMRVMQYNSLJ-VWLOTQADSA-N 430.556 4.842 30 10 IJEE CCC[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1763714110 DJCDDGXBTPTTGY-NLFFAJNJSA-N 439.604 4.716 30 10 IJEE CCCOc1ncccc1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1764625047 FZNOXRMLCOSZIH-UHFFFAOYSA-N 444.583 4.751 30 10 IJEE COC[C@@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@](C)(C#N)C1 1770747496 AOVXXBJCYTZZAS-NBGIEHNGSA-N 439.604 4.702 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CC[C@@](C)(CC)O1 1772522887 DSYJEYPYKNBKEN-DQMJNTIXSA-N 442.991 4.947 30 10 IJEE O=C(O)c1cccc(N=C2S/C(=C/c3ccc(O)c(O)c3)C(=O)N2C2CCCCC2)c1 1772738455 VUCZUUDWOFDUPH-KRCJOYDVSA-N 438.505 4.733 30 10 IJEE C/C(C=NN=C1NC(=O)[C@H](CC(=O)c2ccc3c(c2)CCCC3)S1)=C\c1ccccc1 1772759908 FIRIWSVVOGKCKR-WZTLTOKKSA-N 431.561 4.815 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1ccccc1C(=O)O 1772761712 MTEDRJBZRCLLIQ-CLEIAUBXSA-N 431.311 4.771 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(O)cc2)cc1OCCC 1862426371 TYMTYACIOOPUQX-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C)cc2)cc1 1862516130 ZBJCPSJFUGPMMI-QHCPKHFHSA-N 437.536 4.525 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(OCC)c1 1862532913 HTWBQLDBSGVAQX-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862625631 LBNKTGGBEOXHEW-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862650813 DYYXAWJHOMIMRT-UZUQRXQVSA-N 449.453 4.875 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 1862676822 RWWJNMWVNALIFD-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE CCc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863095292 PTUMNPIHHDKVCI-UHFFFAOYSA-N 425.463 4.965 30 10 IJEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCCCc2ccccc2)C1=O 1863636296 RWMOZGKFYIPPSS-UHFFFAOYSA-N 429.347 4.872 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccco1 1864452509 JUCWEJBYFPXLHI-QFIPXVFZSA-N 448.567 4.945 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1867118631 MBUIYPQGKPFYMW-VWLOTQADSA-N 443.522 4.695 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(C)C 1868848959 OXUUFBPKEHVMHN-PMACEKPBSA-N 435.406 4.530 30 10 IJEE CCCCOCCCn1cc(OC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870295055 CBRWJWIDSTUKPD-UHFFFAOYSA-N 429.586 4.548 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN(CCC)CCCC)cc1=O 1870384230 XOCOCUWIHITCDL-UHFFFAOYSA-N 442.600 4.685 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1CCCN(CC)CC 1870484619 PBDZCADNEINNEZ-UHFFFAOYSA-N 429.649 4.713 30 10 IJEE CCCCCCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCC2(CC1)OCCO2 1870610171 TWYHLAXRYKLSNM-UHFFFAOYSA-N 446.632 4.893 30 10 IJEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(C(=O)OC)cc2)[nH]1 1871298865 LXNZGVHTTCVWLX-UHFFFAOYSA-N 438.576 4.868 30 10 IJEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c1OC 1871404251 KFBZBRZPVWBRFV-GMPVXANTSA-N 445.471 4.726 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872087507 OSOWJUVCSQLAHN-YWZLYKJASA-N 438.590 4.816 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccccc1 1872102804 FOPVROIVJUXVRD-HSZRJFAPSA-N 439.581 4.932 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCCC 1872174145 LXSMGAWFTFBDML-JOCHJYFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872245916 AXIITSRRYBOJOE-QRWLVFNGSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872259125 YGPGXFRIOQKSPC-ZDUSSCGKSA-N 445.343 4.727 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(C)C)S(=O)(=O)c1ccccc1 1872261141 BEIQFNWGJKGEAA-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1)S(=O)(=O)C1CC1 1872459008 FBKIMQUJYCMWHZ-NRFANRHFSA-N 432.973 4.699 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1873319646 FRAUYCRUDSZWCE-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(NCc3ccccc3C)ncnc21 1873619059 WHKKAVKPHPBEJN-UHFFFAOYSA-N 440.551 4.856 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2c(N(CC)CC)ncnc21 1873670496 AATTTXXUIVRWGZ-UHFFFAOYSA-N 442.361 4.787 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874299907 YPRNLZCPLSMEOG-FSJBWODESA-N 437.525 4.933 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874327667 FBJPNWBRHHJZNQ-LPYMAVHISA-N 425.514 4.766 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccco1 1874393257 HYQRDKSQAUDOEI-BIKZULFDSA-N 445.548 4.944 30 10 IJEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1O 1874416372 MNDZETZCZPOWJX-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cccs1 1874458667 ZOYICJDWDULSCJ-LSHDLFTRSA-N 439.488 4.534 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1Cl)Nc1ccccc1 1874464398 HXBXKOXNEHYTAD-YDZHTSKRSA-N 437.912 4.805 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1cccc(F)c1 1874472209 RHIXZDJXEIQJKM-BUVRLJJBSA-N 428.533 4.569 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C2CCC2)cc1 1874496047 SOYKSJGWQBTFGB-BUVRLJJBSA-N 425.602 4.531 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OCC)cc1 1874496875 IPORRBYFMJGSFO-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)cc1 1874518339 OPIWMOWTHNLIGS-FSJBWODESA-N 425.945 4.730 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F)Nc1nccs1 1874576486 PHXDLFLZABDYIV-ORCRQEGFSA-N 434.851 4.988 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874692979 HMCNXAAUMFKSPC-CSKARUKUSA-N 448.387 4.627 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)c1 1875145711 PHWRZQPQDALPLR-GXDHUFHOSA-N 432.472 4.722 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)c1 1875172471 WCVCTTOIRABDGN-JXMROGBWSA-N 427.453 4.850 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c1 1879743277 LFYWKJIACZAQMO-OSPHWJPCSA-N 442.365 4.732 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 1890867352 FXPCTVNMIDVTCY-UHFFFAOYSA-N 446.557 4.975 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1962793599 AJJPEFJWMAFJNO-RDJZCZTQSA-N 429.399 4.583 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2cc(Br)cnc12 1963800543 AXAUEMJXLXGOOX-INIZCTEOSA-N 434.334 4.795 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Cl 2010543840 OYUJJYPSCMEEAO-YWZLYKJASA-N 443.931 4.649 30 10 IJEE C=C1CC(C[C@@H](NCCC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2011044188 SMNMAHTXXAFEQI-BVAGGSTKSA-N 427.633 4.880 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2013354728 MPRMJCPYPKTWMX-SFTDATJTSA-N 434.541 4.607 30 10 IJEE CC#CCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2019510872 USPQSVSNIPVMQO-XMMPIXPASA-N 429.649 4.965 30 10 IJEE C#CC[C@H](C[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC)C1CC1 2020083858 XDQVWJXFKLQBCN-SGNDLWITSA-N 428.617 4.904 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C(C)C)N(Cc2ccccc2)C1 2029765633 WLAAQHCPIDQTFC-OZXSUGGESA-N 442.648 4.758 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(NCc2occc2B2OC(C)(C)C(C)(C)O2)ccc1F 2039815547 GAVXCLXJQCZWTK-UHFFFAOYSA-N 432.301 4.677 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC[C@@H]1CC 2045214669 XJMFHVVUSPRPDC-JCYRPKCISA-N 446.632 4.526 30 10 IJEE CC[C@]1(Nc2cc(Br)cnc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2048692953 XGXIJIPSGHVGKF-NRFANRHFSA-N 443.345 4.709 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cc(O)n2nc(C3CCCCC3)c(C#N)c2n1 2080849492 PWOQUHSQDKSNBL-GOSISDBHSA-N 425.533 4.816 30 10 IJEE C=CCN(CC[C@@H](Cc1ccc(F)c(Br)c1)NCC)C(=O)OC(C)(C)C 2099288278 RRRHXPOUIFEJIY-INIZCTEOSA-N 429.374 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H](CNc2cc(Br)c(C#N)cc2F)C1 2105980148 XVTPEKWKKQSJEH-CYBMUJFWSA-N 426.330 4.909 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2110504280 QUGOGGRJKIYCIE-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3cc(Br)cc(F)c3C#N)C[C@]2(C)C1 2172915099 ZFLXXCLNGIVNSR-TVSHIAKJSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)Nc1ccc(C#N)cc1Br 2181044197 GMFNXJUMOKTMEC-OXQOHEQNSA-N 436.350 4.733 30 10 IJEE CC1(C)CC([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(Br)ccc2C#N)C1 2181113802 CRUREANEXKNACZ-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CC[C@]1(C(=O)Nc2ccc(C#N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2181140574 BYAYTPUVPVRIAP-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](O)CC#C[Si](C)(C)C 2229100185 WKJYIQAOHJQDMM-MSOLQXFVSA-N 440.454 4.517 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2235734507 XJGFCPALGWOIKA-CVEARBPZSA-N 449.311 4.624 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2235735620 ZTNXAWDYRZYKEN-QAPCUYQASA-N 449.311 4.624 30 10 IJEE COc1ccccc1[C@@H]1C(=C(O)c2ccco2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1 2296132733 GVHDDYWVXCYEEQ-HXUWFJFHSA-N 446.484 4.833 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)[C@@H](N)C#Cc1cccc(Br)c1 2296221761 LLHOIBOEQPPSOL-GJZGRUSLSA-N 449.311 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@@H](N)C#Cc3cccc(Br)c3)C2)C1 2296276239 FVXFBVYHSHBDPT-OZWAEMERSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](O)C#Cc3ccc(Br)cc3)CCC[C@H]12 2296276652 KIQCSPIPPQXYJL-CNNODRBYSA-N 434.374 4.731 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296297607 AQRPCLMWYLTDLR-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2296302931 PLHHRTOGKKHJTE-CVEARBPZSA-N 449.311 4.624 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296304996 NPAWFPZVZIENQC-XNFNUYLZSA-N 435.406 4.670 30 10 IJEE Cc1nnc(N=C2SC(=Cc3ccc(N(C)C)cc3)C(=O)N2C2CCCCC2)s1 2314547189 DUIWMTUHVAZBBJ-UHFFFAOYSA-N 427.599 4.849 30 10 IJEE COc1ccccc1C=C1SC(=NN=Cc2ccc(O)cc2)N(Cc2ccco2)C1=O 2314818652 IMNNYTFQTBAKDS-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE O[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319049098 YUFBSRGANKLFCN-FXSWLTOZSA-N 426.512 4.774 30 10 IJEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O 2322145439 DQPYBVXTHNSCKN-UHFFFAOYSA-N 438.480 4.570 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4c(OC)cccc4OC)cc(C)c3C2=O)c1 2322748928 XXVNNWAQNKWZIN-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2322904095 JUBKDWLGOAJQEJ-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 2323138558 KAWGAKGIHQAKJS-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)cc1 2325748704 JBVAGGHPGSMPQB-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC)c(O)c1Cl 2326681314 ZVLLQEYLWIKGGF-UHFFFAOYSA-N 441.944 4.644 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(O)c(OC)c1 2327383535 OSCYNRDHVIZHRS-UHFFFAOYSA-N 438.553 4.684 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCO)n1N=Cc1cccc2ccccc12 2328561067 NAUULJYSVVCHTM-UHFFFAOYSA-N 432.549 4.594 30 10 IJEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329413928 BFGIJZXQQDEWDI-UHFFFAOYSA-N 430.961 4.848 30 10 IJEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330201750 CETMBPRSKWOZMA-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2[C@H]2CCCO2)c1 2330894242 UZYHSJIDCLFUDL-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2331051320 XUSNVIOJMGGJKM-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)ccc1O 2331072162 YIKSGJASRRPLEI-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331281181 QCTZISPDXDCNJL-UHFFFAOYSA-N 446.617 4.985 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2331399526 UFRUHOILISZKTF-UHFFFAOYSA-N 434.009 4.652 30 10 IJEE COCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1Br 2331664951 QLDLUDQNDKDWIP-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2339199355 ADGJTSDQKLGWRB-AEFFLSMTSA-N 427.383 4.968 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582501 QXFVVGPUFMIVTB-PKOBYXMFSA-N 444.381 4.751 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2362710417 UDQGPOUEIQWTFD-UXHICEINSA-N 435.406 4.667 30 10 IJEE N#Cc1ccc(COCc2ccc(I)c(Br)c2)cc1F 2377641301 DOGCHCPUNIDLAX-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE Cc1cccc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)c1 12241656 BGYIIDQSCMFUSK-UHFFFAOYSA-N 425.492 4.543 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)c1 33445841 RIOJJPWFEJATRU-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC)c1 35273044 BMMAOXVCNRDLPE-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE C=CCc1ccccc1OCCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 40185311 MLIFXPWXIBXADI-UHFFFAOYSA-N 440.547 4.901 30 10 IJEE C=CCn1c(SCc2nnc(C3CCC3)o2)nnc1-c1ccc(Br)cc1 59877952 DNKKEKFSNHTLBW-UHFFFAOYSA-N 432.347 4.836 30 10 IJEE COc1ccc(Nc2nc(SC)nc(-c3ccc(OC)c(OC)c3)c2C#N)cc1OC 96470619 KRLNMLOAPDXQDV-UHFFFAOYSA-N 438.509 4.515 30 10 IJEE Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1/C=C\C(=O)c1cc2ccccc2oc1=O 96854240 ZAHWWDWKLDJPBB-SEYXRHQNSA-N 436.471 4.584 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C 97008122 AZKBVGAJSBNGKT-UHFFFAOYSA-N 433.533 4.665 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2cccc(OC)c2)S/C1=N/c1ccc(C)c(Cl)c1 100194404 WHGKEOMJJPDXEJ-QAYQYMSWSA-N 431.945 4.637 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccc(C)c2)c1 169967277 KXUUGXIWQFLDHR-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1 170059482 FEEFFIVGUJVMIF-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccnc2)cc1C 170197613 CFQULFWBOBEYHG-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1ccccc1F 170253304 MFHJXGJPLZTKIS-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 170265160 OCHKOYXNYQWLLS-OAQYLSRUSA-N 427.928 4.906 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(=O)O)cc3s2)[C@@H]1c1cccs1 170478016 GPUZRBMLFOCCJK-QGZVFWFLSA-N 442.518 4.571 30 10 IJEE COc1ccc(-c2ccc(Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)nn2)cc1 170547625 OEIJJNTZPFEFTL-UHFFFAOYSA-N 433.475 4.810 30 10 IJEE COc1c(Cl)cc(Cl)cc1/C=C1\SC(=Nc2ccc(C(=O)O)cc2)N(C)C1=O 252615105 JOXHXFDKQMQEGX-HQNNINPFSA-N 437.304 4.934 30 10 IJEE COc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CS 382702820 PTNRGGDKXOZXQC-YJBOKZPZSA-N 436.371 4.740 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 407124626 PWWINRXDMRITKV-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccccc1C 460772042 YAJKTIYPBCFWOF-FQEVSTJZSA-N 431.588 4.534 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2 475015400 KCBZMCLLFVYTEU-LJQANCHMSA-N 428.536 4.922 30 10 IJEE Cn1ccc(CNC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 482350921 WLYCFQBSDVDMKV-LBPRGKRZSA-N 448.289 4.561 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 483197204 NLHMWIOMXDZIDG-UHFFFAOYSA-N 433.458 4.981 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(c2c[nH]c3c(CC)cccc23)CC1 508479610 ZCDOVZUFLOJKNF-UHFFFAOYSA-N 426.568 4.878 30 10 IJEE C=CCn1c(N2C[C@H](C)O[C@@H](c3ccsc3)C2)nnc1C(F)(F)Oc1ccccc1 508938555 KQOWUKZUXHVUAE-MAUKXSAKSA-N 432.496 4.620 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(Cc2cccc(Br)c2)no1 518282481 DSIPTGSPQCMZQI-UHFFFAOYSA-N 430.258 4.639 30 10 IJEE COc1ccccc1[C@@H]1C(c2cccc(OC)c2OC)=C(O)C(=O)N1c1ccccc1C#N 526606315 DNJWDDBIQPOYNA-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE N#Cc1cccc(CC(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)c1 530674310 CLOJARYCYJEPAF-UHFFFAOYSA-N 428.467 4.863 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C(=O)N(C)C)CC1 549256842 DNLWFVDBQITTJB-UHFFFAOYSA-N 444.004 4.694 30 10 IJEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549669769 NYWJMZUXDXUBAT-NRFANRHFSA-N 448.958 4.522 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(OCC4CCCC4)CC3)n2C[C@@H]2CCCCO2)cc1 555471886 UUGYLCDLGRELTI-DEOSSOPVSA-N 449.599 4.561 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)c3cc4c(Br)cccc4[nH]3)CC2)c(F)c1 557662548 LNSAOGNWFKXEIT-UHFFFAOYSA-N 442.288 4.625 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccc(C#N)c2)cc1 586149226 FHPHUEUENJEGIL-UHFFFAOYSA-N 434.561 4.779 30 10 IJEE Cc1ccnc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586244133 SYFPOKOBJPYYQB-UHFFFAOYSA-N 432.332 4.964 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 669805354 JZSXLHVINZTDFI-MRXNPFEDSA-N 449.342 4.522 30 10 IJEE Cn1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c1Br 712435725 OTRAEKXYLKRUIL-CQSZACIVSA-N 425.714 4.842 30 10 IJEE N#Cc1ccc(NC(=S)/C(=C(/O)c2ccc3c(c2)OCO3)[n+]2ccccc2)cc1Cl 726570750 KHOHNEYOEJJPOH-UHFFFAOYSA-O 436.900 4.551 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 730489005 HAFNZKJLQZOOSB-NQSCKRDGSA-N 441.531 4.648 30 10 IJEE COc1ccc(N(Cc2cc(Cl)ccc2OCC#N)S(=O)(=O)c2ccccc2)cc1 735303936 CGQURXYDFSYHNZ-UHFFFAOYSA-N 442.924 4.646 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC(C2CCCC2)C2CCCC2)CC1 735447113 ARISAHUHLUFRAM-UHFFFAOYSA-N 436.556 4.888 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C#C)c1 742213390 IBUXUWIRTWJYGD-HSZRJFAPSA-N 443.572 4.658 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@H](c3ccsc3)C2)c1=S 765072571 DCJYUYPFCRUPQP-FQEVSTJZSA-N 442.610 4.580 30 10 IJEE N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 772645584 NHDWVJRYYCUKNE-CYBMUJFWSA-N 447.800 4.790 30 10 IJEE Cc1cc(C)n(CC(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)n1 783520019 ONVXJAQAJOTHHV-OAQYLSRUSA-N 449.536 4.721 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2C1CCCC1 1126228639 LQLYKSPZQQINMW-OAQYLSRUSA-N 440.540 4.618 30 10 IJEE C#CC[C@]1(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)CCCN1C(=O)OC(C)(C)C 1128338672 ZJJJLHQYWUIUJA-HSZRJFAPSA-N 442.947 4.566 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H](OC)c2ccccc2Br)C(F)(F)F)cc1 1128968388 KXTVDPIBAMAYNI-IAGOWNOFSA-N 427.216 4.965 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCCC(=C)C)ccc1Cl 1129080576 MLBOCLWDKHHFQF-UHFFFAOYSA-N 436.936 4.556 30 10 IJEE CCC(CC)CN(CCC#N)C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1136679298 HVEQJCPRFKPIPX-UHFFFAOYSA-N 447.988 4.933 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C(C)C 1144198183 XCYYAZRGGBXQKT-ONSKCLHQSA-N 437.466 4.925 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 1154171022 DJKSAVFBANZGRD-BVAGGSTKSA-N 430.479 4.694 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)cc1Br 1154367046 GZOOYCJODXGWCP-UHFFFAOYSA-N 444.304 4.924 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cc(Br)c(C#N)cc2F)CC1 1164372083 MYJVXJFXLSSZML-CYBMUJFWSA-N 426.330 4.909 30 10 IJEE N#Cc1cc(Br)ccc1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 1165825985 DSZNSODFDZPZLW-UHFFFAOYSA-N 437.293 4.917 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)C(=O)OC 1177958369 GPTPIZJIYCNBFJ-OAQYLSRUSA-N 448.519 4.547 30 10 IJEE C#Cc1cccc(N(C)C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1203646775 QITIHJSUTNBGTH-NRFANRHFSA-N 426.442 4.920 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)cc1 1214912299 QJTTVEANKFLVNA-UHFFFAOYSA-N 440.632 4.865 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1)c1ccc(Cl)cc1 1222227689 GZEODVSXONQLLX-DEOSSOPVSA-N 445.950 4.752 30 10 IJEE C#C[C@H](NC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 1252448038 FFEATQXSWWGHFR-XZOQPEGZSA-N 448.954 4.600 30 10 IJEE C=CC[C@]1(C(=O)OCc2cc(F)cc(Br)c2)CCCN1C(=O)OC(C)(C)C 1265727238 AYJWRXKENKMYMA-HXUWFJFHSA-N 442.325 4.977 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)(C)C 1275502694 MCTBJOJTYNSWOB-DFBJGRDBSA-N 444.575 4.812 30 10 IJEE C=CCCC1(CNC(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CCCC1 1279011265 LOPPISUBNOWBRD-OAQYLSRUSA-N 430.589 4.774 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCOc1ccccc1 1286281379 JBZYMHVQYVJZED-HNNXBMFYSA-N 445.386 4.696 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](OCC(C)C)C1 1286338776 HMELATLAFJXHLF-QUCCMNQESA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286450270 CDXXAVMKOFTPQS-IFMALSPDSA-N 438.616 4.855 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1cccc(Br)c1 1286549342 XNOBCXMPVPQMEX-PKOBYXMFSA-N 433.394 4.782 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C1CCCCC1)N(C)C 1286567882 YBBVBUZTRUYIPR-JOCHJYFZSA-N 440.592 4.766 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@](C)(O)CCC)CC1 1286649515 WSRGDXDBYQCFPB-XMMPIXPASA-N 447.023 4.959 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)c1nccs1)c1ccccc1 1286680231 XHIVEXLXDLIERG-UYAOXDASSA-N 447.612 4.735 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C)CN1CCCCC1 1286743811 UBPIUYCDZREYGL-JOCHJYFZSA-N 430.600 4.655 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCSC1 1286755622 GPDOGSXMJPWGRZ-HNNXBMFYSA-N 449.418 4.648 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(Cl)cc2)C1 1286814613 UMOSTMBIBHKCCD-PWRODBHTSA-N 445.007 4.680 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C2CCCCC2)CC1 1286834094 ZWZOZBNOYIBMNO-UHFFFAOYSA-N 439.673 4.551 30 10 IJEE C=C[C@H](CC(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 1290340848 HGNNZRYHBGFDCN-HSZRJFAPSA-N 425.576 4.785 30 10 IJEE CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1Oc1cccc(F)c1 1291505237 FUMUQYUZOIQGET-QMHKHESXSA-N 438.482 4.608 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2cccc(OCC#N)c2)c2ccccc21 1293361131 FUMYJJYOJQSEIF-LJQANCHMSA-N 435.524 4.524 30 10 IJEE C[C@H](NC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1)c1ccc(-c2cccc(C#N)c2)cc1 1296261607 AEHMQXYXZMOTCQ-AQNXPRMDSA-N 440.547 4.725 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCN(C)C1CCCCC1 1300647603 GLTFCQXXHLCLJD-UHFFFAOYSA-N 448.590 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H](C)C#N 1300870973 WQYWAHMZJPZWNF-AYMMHLMVSA-N 439.629 4.708 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1301056707 HPLNTHTYLQIQNP-DYVFJYSZSA-N 439.785 4.997 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 1301165759 KAPMCDIHPMFSQM-DEOSSOPVSA-N 449.643 4.675 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1301166674 YATSAJQUPHIQTK-LJQANCHMSA-N 426.996 4.860 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)c(Cl)c1 1301270654 KFDBMEOFBSKRSP-UHFFFAOYSA-N 438.732 4.509 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccncc1 1301351170 LPMWKQOWDPMVEO-UHFFFAOYSA-N 448.933 4.963 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCc1ccsc1 1301351497 UPNRJWFXXULNPC-FQEVSTJZSA-N 426.561 4.808 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)c1 1303315643 CKGHDELKQMDMHW-UHFFFAOYSA-N 447.922 4.869 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1cc(COC(C)(C)C)on1 1303633231 DNKZTMXEIKOQAB-OAHLLOKOSA-N 442.951 4.688 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCSC1 1305601272 CBGJQLSMIFHIDL-ICSRJNTNSA-N 427.618 4.744 30 10 IJEE C#CCN(C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O)[C@H]1CCCc2ccccc21 1310496615 IINGWGZLKDMEKW-VWLOTQADSA-N 425.532 4.750 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Br)c2ncccc12 1311005237 RMIVBFOHDWMEBP-UHFFFAOYSA-N 430.302 4.693 30 10 IJEE C=CC[C@H](NC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccncc1 1312022409 UIHVWJCBGKZDGS-ZEQRLZLVSA-N 429.520 4.525 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1 1352076555 CKTOEDICRPWSAC-UHFFFAOYSA-N 430.455 4.943 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)Oc1ccc(C)cc1 1358941832 ZJTRLDBSDPKPBM-RTBURBONSA-N 434.609 4.977 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1c(F)cccc1F 1359096358 AFEFRAYZYFLISD-IERDGZPVSA-N 427.499 4.559 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1359180461 GIIOXBCCAKRLMU-UHFFFAOYSA-N 431.625 4.718 30 10 IJEE C=CC[C@H](Cn1c(N2CCO[C@H](COC(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1359195948 UWPMPRMFGAOEMK-YADHBBJMSA-N 426.605 4.566 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1359337376 QFOIUQNJJWSIGG-GOSISDBHSA-N 428.650 4.628 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1Cc1ccc2ncccc2c1 1359929510 HVHKONWSPKELSM-UHFFFAOYSA-N 439.567 4.627 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1360321075 CPAKARWNFVKDBO-WZONZLPQSA-N 444.934 4.658 30 10 IJEE C#CCSCC(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1435161387 BMCNSARROFRHBU-LJQANCHMSA-N 432.383 4.962 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc1OC 1435383146 BIRDIJBCGGSIRL-LUAWRHEFSA-N 432.442 4.689 30 10 IJEE C#CCN(C)C(=O)c1cc(F)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 1447640060 NLSORXRLPUDPAD-UHFFFAOYSA-N 428.463 4.892 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 1448919372 GXIUWQHYYZLPJO-ZLNRFVROSA-N 442.600 4.786 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CCCc3ccccc3)CC2=O)cc1Cl 1458179223 DCBHFSXZMMBVDT-FGZHOGPDSA-N 449.982 4.969 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(OC(C)C)cc2)nc2sc3c(c2c1=O)CCC3 1458828208 ZPPXSAIWRHHLAA-UHFFFAOYSA-N 440.590 4.895 30 10 IJEE N#C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC12CCCC2 1463652224 DJMMURKTIXOUIZ-OAQYLSRUSA-N 429.929 4.553 30 10 IJEE C=CC1(CC(=O)N(Cc2ccco2)c2ccc(OC)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1465298100 VAHYLHBMPKLMCT-UHFFFAOYSA-N 444.503 4.774 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1ccc(Cl)cc1 1470662237 GPKKFZHDSYKGDQ-RBUKOAKNSA-N 433.980 4.739 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1ccc(F)cc1 1472930129 BGDGHNXLXRLLCC-GOSISDBHSA-N 428.920 4.821 30 10 IJEE Cc1nc2c(s1)[C@@H](N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)CCC2 1473248746 GNUBOQZVCBGXFK-NRFANRHFSA-N 433.581 4.679 30 10 IJEE C=CCCn1cc(CNCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)nn1 1474014852 FENVAGLPGWDEAO-UHFFFAOYSA-N 431.855 4.637 30 10 IJEE C#CCN(C(=O)Nc1cccc(CC(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1476222566 SUWNAUIQIFVNPV-UHFFFAOYSA-N 439.478 4.658 30 10 IJEE N#CCCN1CCN(C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 1477853206 ACQXMXWVLAXAGD-OAQYLSRUSA-N 449.357 4.657 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(Cl)cc1F 1478901266 RQCAKLWOTLJUPQ-SJLPKXTDSA-N 449.231 4.556 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(F)cc(F)c1 1507555093 GPAZENNHQJPYHM-UHFFFAOYSA-N 448.315 4.754 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccsc1 1507579336 SKKATHRZCWQQBT-KRWDZBQOSA-N 444.402 4.863 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507661918 AQYLXYPLXNALAL-XUZZJYLKSA-N 448.636 4.720 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507703243 RXDVJWAXPLZHQP-MLCQCVOFSA-N 436.600 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507763291 TXSDVIPNLCCFLL-BCQCSXDESA-N 444.627 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)cc(F)cc2C1 1507910312 NHGYETZFRVAUDN-UHFFFAOYSA-N 445.558 4.640 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1507924399 MVKKMPDAJYYKSN-VXKWHMMOSA-N 435.616 4.647 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1)c1ccccc1 1507924832 UOOICHXUUPNHFZ-UNIVCBNLSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1507935774 UNIOTSFBAYZCGN-IFMALSPDSA-N 445.007 4.742 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1507958940 DMVPJFVLNOTVOP-SIKLNZKXSA-N 438.597 4.874 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1cccnc1OC1CCCC1 1507986291 XQPNRWRLMSKYPN-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1C[C@H](C)C[C@@H](C)C1 1508017903 JLOBQDONEIBESK-NHCUHLMSSA-N 432.616 4.973 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@@H](C)N1CCc2ccccc2C1 1508019124 BQQKOAYITFDCHW-HXUWFJFHSA-N 433.625 4.556 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)C1 1512062524 FUBSIRFHAYCSCI-PNCHPQGNSA-N 425.602 4.639 30 10 IJEE C=CCc1cc(C(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)C)cc(OC)c1OC 1517920212 XGLJNVAQVHZLHH-UHFFFAOYSA-N 427.541 4.890 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(OC)ccc1OC)c1ccc2c(c1)OCO2 1523443453 DPUASOGJIUWSAZ-UHFFFAOYSA-N 447.487 4.844 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)NCc2cc(C#N)ccc2F)s1 1523591684 CVGYMYBWPZQGRO-UHFFFAOYSA-N 446.301 4.522 30 10 IJEE Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(C#N)c1Br 1529123745 DWYYIPWOWQWMJL-UHFFFAOYSA-N 448.324 4.705 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)C1 1529815377 JVSBHKHWBILVFX-IBGZPJMESA-N 448.592 4.768 30 10 IJEE C=CCCC(C)(C)NC(=O)c1csc(I)c1Br 1533391682 NBIXKWRPRGPXSJ-UHFFFAOYSA-N 428.133 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCCN1CCCC[C@H]1C 1538970170 AJXWOYDLWRUQSL-HBMCJLEFSA-N 441.595 4.670 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1539087542 WGTZWBRUHHYHRL-RBUKOAKNSA-N 446.064 4.946 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C[C@H](C)C1 1539601299 YUNRIIVEKMJVPF-STQMWFEESA-N 425.321 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCSC(C)(C)C1 1539622133 DQRVKZNUJPXPAB-APWZRJJASA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nccc(C(F)F)n1 1539677441 CJNXGHWCCGZGRJ-UHFFFAOYSA-N 442.514 4.652 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)[C@@H](C)CC)CC1 1539842832 YLSGQKLRCCGWQY-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1539891378 AJIMRMILNFBUTB-FQEVSTJZSA-N 431.584 4.554 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1539902411 GZQNRZARRYQQMN-BHIFYINESA-N 435.616 4.670 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(C)(C)C)CC1 1539981677 IHTZGGGBOSNKHV-HXUWFJFHSA-N 441.620 4.704 30 10 IJEE C=CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cc(Br)cn1C 1540019850 DRPFRTUFKBOZNP-UHFFFAOYSA-N 444.381 4.753 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1540053225 BTMOMCJACMMCJQ-UHFFFAOYSA-N 443.592 4.659 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1CCN1CCC[C@H]1C 1540147596 UCGGWHCCBLHFLP-OAQYLSRUSA-N 435.641 4.916 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C(C)C 1540707843 AEUJWBAVRUMAOG-JOCHJYFZSA-N 426.944 4.903 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCC(OC)CC2)C1 1540886216 YFXQNIXHHMTHTH-FBPXKMNZSA-N 430.980 4.585 30 10 IJEE CC1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(COC(C)(C)C)on2)C1 1542000616 CKKDGXUMBYQDCG-UHFFFAOYSA-N 448.571 4.795 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1562071014 ZXNVTWUMNQVIJW-OEMYIYORSA-N 433.618 4.513 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N(CCO)C2CCSCC2)cc1Cl 1562207089 AURUZPKHTGIGPN-HXUWFJFHSA-N 429.973 4.717 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 1583070438 KSMRBULNBPEMEP-JLTOFOAXSA-N 425.342 4.523 30 10 IJEE C#Cc1ccc(NC(=O)c2cnn(-c3cc(F)c(OC)cc3F)c2CCC)c(Cl)c1 1585668854 VMCLHGJIFKSHNW-UHFFFAOYSA-N 429.854 4.999 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2c(F)ccc(Br)c2F)c(OC)c1 1585892523 LCPDOGNYTRJZPR-UHFFFAOYSA-N 427.241 4.587 30 10 IJEE N#Cc1ccc(N(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C2CCC2)cc1 1586911315 FAGSFYNJPGEULS-UHFFFAOYSA-N 428.458 4.774 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)c1nc(C)cs1 1588205294 IKNCNKKZHCITIY-GOSISDBHSA-N 440.576 4.525 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC[C@H]1CCCCO1 1588265602 FCGOBIQDLDJBNR-UYAOXDASSA-N 430.980 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C(C)C)C(C)C 1588284880 ZXZDUNKTRLDMKE-UHFFFAOYSA-N 446.437 4.594 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@H](C)C1 1589163953 OUNOFHHIIXQSQZ-HYFFOGBASA-N 443.389 4.515 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)Cc1cccs1 1593621740 XOICJFMRGMZOGK-UHFFFAOYSA-N 448.596 4.900 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C(CC)CC)no2)CC1 1594122740 WONAJPIJRDULQZ-UHFFFAOYSA-N 435.572 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cnc(C)s1 1594472411 DPVWAKYQFWBBJT-UHFFFAOYSA-N 441.601 4.966 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1594499114 ZUBVLAYSZVDACW-JTHBVZDNSA-N 437.632 4.880 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(Br)o1 1594703993 PLSBIXNTGFYCDG-UHFFFAOYSA-N 431.334 4.912 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1N(C)CCCC1(C)C 1594857666 NXMAPGXLDLFBII-FXAWDEMLSA-N 432.012 4.814 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cnn2ccccc12 1594923381 NVVGGQSPXDAXAR-UHFFFAOYSA-N 430.556 4.688 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1nc2c(s1)CCCC2 1594998171 YTWHINNDYRPJMV-UHFFFAOYSA-N 437.613 4.674 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC[C@H]1C)C1CC1 1595033802 QFGGEIFTRWCNPT-ZIAGYGMSSA-N 437.407 4.597 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCCS1)C1CC1 1595038117 PTDHMPKUFCDKDX-LJQANCHMSA-N 428.602 4.793 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCCN(C)CC(F)(F)F 1595140936 AZAXVZZODBWELU-UHFFFAOYSA-N 429.556 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC(F)(F)F)cc1 1595222740 IVSRMBUEEXXPLJ-UHFFFAOYSA-N 449.502 4.759 30 10 IJEE C#CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)[C@H]1CCCc2ccccc21 1611222664 HBYNESXQSPHWBL-DEOSSOPVSA-N 428.536 4.516 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)C(C)C)cc1OC 1616343276 DUXMMPACFVDUEQ-UHFFFAOYSA-N 425.577 4.775 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)cc1OC 1616798959 QHILLEJNCWGWDA-ACCUITESSA-N 442.519 4.922 30 10 IJEE CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 1621767795 CJINSMIVIAVFSS-CCDWMCETSA-N 445.673 4.890 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 1623171777 MQODSUARGQYAEB-UHFFFAOYSA-N 447.551 4.919 30 10 IJEE COc1cccc([C@@H](CNC(=O)c2csc(C#N)c2)c2c[nH]c3ccccc23)c1OC 1623882054 BCURUEAYZBXMIT-HXUWFJFHSA-N 431.517 4.680 30 10 IJEE C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1=O 1625091251 CHPZVNOEOBXRIC-AUUYWEPGSA-N 442.560 4.930 30 10 IJEE C=C(C)c1cccc(NC(=O)NCCC(=O)N(C)Cc2ccccc2Br)c1 1628031184 OVGZBKIYJKUSEG-UHFFFAOYSA-N 430.346 4.652 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O)c1ccc(Br)cc1 1628543325 SBSDMYHZQROLKQ-LJQANCHMSA-N 438.325 4.568 30 10 IJEE CN(Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1S(=O)(=O)C(F)(F)F 1639232026 FNFNTQRHTGQPIN-UHFFFAOYSA-N 431.329 4.654 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1cc(Br)ccc1OC 1642336352 OLYNGHNXZPHHNI-OAHLLOKOSA-N 437.403 4.554 30 10 IJEE CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 1644085228 DPRXHWBXEHRSGU-XMMPIXPASA-N 445.542 4.512 30 10 IJEE C=CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 1651889574 QZCJVGFOXXHHJW-UHFFFAOYSA-N 446.916 4.872 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2nc3ccc(Br)cc3o2)CC1 1653479646 CCIFPGDWOHIHOO-SFHVURJKSA-N 445.748 4.626 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@](O)(c3ccccc3)C2)cc1 1658869419 HEBLCLYXVIINDV-SANMLTNESA-N 443.503 4.875 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1 1659036282 GROIQXURJQEQGR-IBGZPJMESA-N 435.515 4.557 30 10 IJEE N#Cc1cc(S(=O)(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)ccc1C(F)(F)F 1659995594 FHSVWCJLQUXCGZ-UHFFFAOYSA-N 448.388 4.606 30 10 IJEE CC(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC#N)C2)NC(=O)OC(C)(C)C)cc1 1668529387 CXIKJDMOMUAISQ-GHTZIAJQSA-N 428.577 4.711 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1ccc(I)cc1Br 1669629618 IIXNTNZHXIWGIY-UHFFFAOYSA-N 437.119 4.920 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1F 1670129028 CEODKZBIUPUCTD-GTNSWQLSSA-N 433.270 4.917 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)COc1c(F)cccc1F 1670845127 IMZIFVLKGLSTEM-LBPRGKRZSA-N 441.272 4.881 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)CC1 1671203897 ILVQCBCXIBGVPC-INIZCTEOSA-N 430.763 4.692 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F)c1ccc(F)c(F)c1 1671483002 NFDTYSLSQUIOEW-IBGZPJMESA-N 441.475 4.695 30 10 IJEE CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NCc1cccs1 1671555651 CQEUIVQXJSBYGB-GAJHUEQPSA-N 446.576 4.742 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1)c1ccccc1 1672547528 CBKCPOWRDVSGGC-RTWAWAEBSA-N 440.385 4.708 30 10 IJEE C#C[C@@H](NC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccc(Cl)cc1F 1674036682 SMYQPERCLZMWTR-HSZRJFAPSA-N 439.962 4.851 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2csnc2-c2cccc(C(F)(F)F)c2)n1 1674967493 CVGUWERXJDNWNB-UHFFFAOYSA-N 433.459 4.713 30 10 IJEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@H]1CCCc2ccccc21 1678459976 RLTAEQPPWUDPSX-IRLDBZIGSA-N 427.589 4.648 30 10 IJEE C=CC[C@H](NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 1679334448 LKAUAXSJGVATJQ-YADHBBJMSA-N 442.604 4.768 30 10 IJEE O=C(NCc1cccc(C(F)(F)F)n1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 1680180194 HACAYIQSLHXGIY-UHFFFAOYSA-N 435.343 4.789 30 10 IJEE C=CCC[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1684018115 KBOJMYQVHCQQKB-IBGZPJMESA-N 437.418 4.999 30 10 IJEE C=CCC1(CNC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CCCC1 1684166102 UAJOZOCMXPEOPR-OAQYLSRUSA-N 434.024 4.928 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 1684893693 GBHLKEWCLVBADI-LEWJYISDSA-N 445.485 4.986 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nccs1 1690161663 MVXOBKNUTVDENL-UHFFFAOYSA-N 425.627 4.702 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CC1CCN(c2ccncc2)CC1 1690260212 CISDFWDSCJHGRB-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690301842 ZJKGXYARLHKJNC-RPWUZVMVSA-N 438.616 4.808 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCSC[C@@H]1C 1690304408 ALEQAINHPRJDCZ-SJORKVTESA-N 432.659 4.666 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 1690324037 GPRLMOAZCFIIAZ-NRFANRHFSA-N 438.616 4.602 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCCCCC2)CC1 1690430564 NRBLHCWVSNSCTK-HSZRJFAPSA-N 443.680 4.867 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C1CCCCC1)N(C)C 1690532856 VZWAYLXDMIWPOC-QHCPKHFHSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCc1scnc1C 1690563194 JMFMQGADPKKTBK-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(SC)c1 1690602677 UTWYTEAKSPJHIG-UHFFFAOYSA-N 430.581 4.674 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccccc1-n1ccnc1 1690609149 FFIJUBIVZWFOKW-UHFFFAOYSA-N 444.583 4.929 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(SC)cc2)C1 1690710574 UCXXQUKFDXLACD-NRFANRHFSA-N 426.630 4.757 30 10 IJEE CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)Oc1cccc(F)c1 1694394889 GAFMEPWWASTSHF-YADARESESA-N 427.568 4.993 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)C[C@@H](C)C2)cn1 1695616074 FGOSFVGDSIMABL-WOJBJXKFSA-N 443.599 4.589 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(C)CCCO1 1705477901 UANVVWQQHYIXMC-IXFSTUDKSA-N 430.980 4.715 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705483007 LVTXXSZQJVSPOL-ROUUACIJSA-N 447.549 4.585 30 10 IJEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC[C@H]1c1ccc(C)o1 1705537414 FOAMTASQRPERIS-FQEVSTJZSA-N 434.540 4.912 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705664153 WACGHABCMRKBMS-OAQYLSRUSA-N 444.595 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](OCCC)CC1 1705695357 ILFJPKDCHPIONB-SJBKTWHCSA-N 428.577 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CC1(C(=O)N(C)C)CCCC1 1705712865 KLOWRQSTEDFMQK-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(C(N)=O)CCCC1 1705712929 MKZYMIDBVKRGFJ-UHFFFAOYSA-N 441.645 4.724 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705765332 HCXCNUDFAIPLPM-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705790226 NHYNJXSXMANTPP-GOSISDBHSA-N 445.007 4.975 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2CC2)C1 1705916354 OYNHESWVQRMFLI-YLJYHZDGSA-N 430.980 4.880 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CC1 1708140443 AFCJYUOAEFKOAW-XUZZJYLKSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CC(F)(F)C1 1722285345 RREVDMUKKORHKH-MRXNPFEDSA-N 426.467 4.620 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccncc1Cl 1722285806 XYPVHDYOBRAMMJ-KRWDZBQOSA-N 447.926 4.672 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1722325865 MPAZDBFZWLKPMJ-GOSISDBHSA-N 440.016 4.957 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCC(C)(C)COC 1722344855 UBQJPDVMBBQWCK-UHFFFAOYSA-N 433.600 4.875 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCC[C@H]1OC 1722375506 DMAOILODCOHLNH-SJLPKXTDSA-N 438.984 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H]1CCCCO1 1722391060 ZQIVVWSEDBVWIW-FPOVZHCZSA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCCc1nc(C)cs1 1722408633 NKOGYLLNZFOVCB-UHFFFAOYSA-N 430.581 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CSC 1722495922 IMZONEQBFAYSMO-RLLQIKCJSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)nnc1C(C)(C)C 1722498856 FOYHRBNPLQOWOX-HJOGWXRNSA-N 447.627 4.888 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722553009 YXDZLUDJNXPFAT-HNNXBMFYSA-N 428.861 4.771 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CCC(F)(F)CC2)CC1 1722563262 WLMKTJYDVWUADC-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)CN2CCCCC2)CC1 1722575744 UPLOMFVTSFKCME-SFHVURJKSA-N 429.012 4.518 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCSc2nccs2)CC1 1722580763 YHQNWEPVJVNOAF-UHFFFAOYSA-N 431.656 4.972 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722585049 OZOBDVOSTSQHOL-IBGZPJMESA-N 436.560 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722589683 NLLLYQJQPXMROL-OAQYLSRUSA-N 441.595 4.663 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722601825 WYVCUJFNCXBVLC-LJQANCHMSA-N 430.641 4.749 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1722622845 NNPSEEWNSNYESU-SFHVURJKSA-N 444.008 4.623 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1OCC(F)(F)F 1722632095 HJXBCPDAQLMCMQ-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccnc(OC2CCCC2)c1 1722643636 UXYSEMDGIBVUDS-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)c1ncc(C)s1 1722663889 KIVGZYNRTFRQNR-RDJZCZTQSA-N 429.615 4.605 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1722669529 VGKCLTUDWHCWJS-LADGPHEKSA-N 429.568 4.995 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2OCC(C)C)C1 1722717697 LYFNHSUMGKPJCC-NRFANRHFSA-N 436.556 4.711 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCSC1 1723986962 AIZUVYMAKIERGV-JKSBSHDWSA-N 446.020 4.955 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCSC(F)(F)F)c2ccccc2n1 1724203292 AOJUVHHKQIPLTN-AWEZNQCLSA-N 434.491 4.793 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1c(C)noc1C 1740543404 OPXWACAYMVJCGG-GOSISDBHSA-N 435.572 4.675 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCCSC 1740557877 RMSDQDVUNKTCFL-AWEZNQCLSA-N 427.401 4.765 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)(COC)CC1 1740585493 UEBAWJVNPQDDIH-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCCO1 1740595928 NGSCUPBKGQVZLN-QGZVFWFLSA-N 437.371 4.583 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1N1CCCCC1 1740675473 QBEWXTQUDIMYGA-ISKFKSNPSA-N 449.643 4.695 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)c1ccco1 1740716521 SXGBPHLJGPRHQA-KRWDZBQOSA-N 433.537 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC[C@H]1C 1740769393 XPZRYHWETIEHOS-AEFFLSMTSA-N 433.394 4.783 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740859655 OZVLAZRJTRQDAN-RBUKOAKNSA-N 446.661 4.857 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1ncc(C)s1 1740892273 DYWKRWQFWCBMTJ-ZDUSSCGKSA-N 432.391 4.898 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H](c1cccs1)N1CCCC1 1740903825 MPVUHJKJWDUJBI-NRFANRHFSA-N 437.613 4.686 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1740941538 NHWROSNCMJKLDM-LADGPHEKSA-N 440.632 4.982 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCN1CCC[C@@H](C)C1 1748775839 XVOJRZMXPYRZRU-WOJBJXKFSA-N 439.673 4.713 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1749026360 AEQSMIIJCJKXHB-XMMPIXPASA-N 440.682 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCC 1749065965 FFHXLNDFBOOTDA-NTKDMRAZSA-N 429.609 4.575 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC)Cc1cccs1 1749175885 SSEYVBYVRWQMOT-UHFFFAOYSA-N 428.558 4.635 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1749217853 DCMCSBPBNLUSKS-UHFFFAOYSA-N 436.959 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749370927 SYBULQNXKDDFBY-OAQYLSRUSA-N 447.583 4.533 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN1CCCC1 1749549140 QSGJNHVCKGOIMZ-GOSISDBHSA-N 425.602 4.833 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1749627749 XVDSNZBKOSFSLS-MOPGFXCFSA-N 429.609 4.595 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749637940 NBZFSWVAXUBSOR-HXUWFJFHSA-N 445.007 4.569 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC(F)(F)F)C1 1749718388 CUSAWXIPNXKZLX-QGZVFWFLSA-N 444.885 4.634 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1749751023 IMNWDNWTYOPPSG-QGZVFWFLSA-N 440.642 4.662 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(C)(C)C)C1 1749760791 MOGMTHXYXSUGFM-NRFANRHFSA-N 444.645 4.644 30 10 IJEE CC(C)N(C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1 1750875654 BTXKEGDTJMMEBA-UHFFFAOYSA-N 436.648 4.885 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1csc(C)c1 1760240757 AVVUTKJVZRKLOQ-UHFFFAOYSA-N 431.540 4.846 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(CC)C1 1760324964 NJCZKRKFTWSDPX-PMWMKWCKSA-N 438.616 4.680 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCN(C)C(C)C)CC1 1760385060 MAHRCQNYODISPO-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)OC(C)(C)C1 1760409212 NKGXWZPSZWRQLQ-UHFFFAOYSA-N 427.549 4.849 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC(N(C)C(=O)OCC)CC1)c1ccccc1 1760417881 JVNXWYNWIAAKCK-NRFANRHFSA-N 437.588 4.573 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1768359785 FUDAAYDVAVSUDG-RTBURBONSA-N 431.556 4.972 30 10 IJEE CCCCCCCCCNC(=O)CCCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 1860305482 RTAZIDOHGXHHMH-UHFFFAOYSA-N 447.576 4.952 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 1861034595 OVVMQXLIEBXALD-HXUWFJFHSA-N 437.606 4.703 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862396582 IWYDLWQMHZVGFI-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1862432578 ICXXIACJMHOZLG-IBGZPJMESA-N 435.854 4.623 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCOC(C)C)cc1 1862458162 HLCCVNBMJIKZRL-NRFANRHFSA-N 447.453 4.670 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862474627 QKSSMXPEBLMKCR-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccccc2)c1 1862486975 PFRGUQNAMAACIY-XMMPIXPASA-N 432.564 4.758 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862499114 YSXVKURBLAQGAG-IBGZPJMESA-N 434.319 4.571 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 1862525079 UJJYXDVDUZJCRW-SFHVURJKSA-N 432.289 4.967 30 10 IJEE Cc1cc(C)cc(OCCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2)c1 1862554986 PFQCCYNSKKNDNS-DEOSSOPVSA-N 442.515 4.543 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862600466 UGJCBBNEULWMEY-IBGZPJMESA-N 445.899 4.528 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 1862616257 PNYSEQYZECFLNE-IFMALSPDSA-N 437.511 4.881 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(O)cc2)cc1 1862663335 RVRRYRKRRCBWAL-QHCPKHFHSA-N 428.488 4.689 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(Cl)cccc1Cl 1862760349 MQHZECNSWBAJAZ-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(Cl)cc2)C1=O 1862805089 QIDBTXFMCBDOHB-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3ccc(F)cc3F)C2=O)c1 1862946282 GKEBRUVTQXNNBJ-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccccc2Cl)C1=O 1862947269 FIYUGFGITXKLFC-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)c1C 1862953476 MJBVCNUYDNRBSW-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(F)c3)C2=O)c1 1863032297 GKMVDKCZALKDBV-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCN(CC)CC)C1=O 1863643995 ZBLOKLCSJQNMOK-UHFFFAOYSA-N 431.596 4.588 30 10 IJEE C[C@H]1C[C@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3ccc(Cl)cc3)n2)C1 1870023518 OMKAWUJIGNFQNP-HOTGVXAUSA-N 434.931 4.527 30 10 IJEE CCCCCCCCCCNC(=O)c1cn(C[C@H](O)c2ccc(Cl)cc2)c(=O)cc1O 1870120894 IJNBFMFLEBSPTH-QFIPXVFZSA-N 448.991 4.811 30 10 IJEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(C(F)(F)F)c2)cc1 1870150850 VIHHIOJTUNTQLD-UHFFFAOYSA-N 447.848 4.945 30 10 IJEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CN(C)Cc1ccccc1 1870367643 SXJRIBHFFYVOGA-UHFFFAOYSA-N 428.617 4.992 30 10 IJEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870794640 ZXTYRJAODFSAFQ-UHFFFAOYSA-N 439.339 4.675 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)COc3ccc(C)cc3)ccc2C1=O 1871371548 WHHPZRLUNSKLOO-OYKKKHCWSA-N 430.456 4.994 30 10 IJEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCC(CO)CC1 1871397262 VGYPWUOBFGQEAZ-QQXSKIMKSA-N 441.527 4.880 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871462415 RWOCREAFBSCSMO-HAHDFKILSA-N 448.446 4.751 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871762509 DSFRAZOIVLVNGP-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871983625 UTDQOTVETLAVFH-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872059320 HMWNOYLEUQUVRN-NRFANRHFSA-N 432.561 4.735 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872267371 GJJIFVRDSSITJW-XXBNENTESA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 1872372903 DILIHLZPWHBXKW-OAQYLSRUSA-N 436.524 4.729 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872406630 APQHFOWOXJWREI-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872504086 HZPWKOVMYJHUQR-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276768 SBGFWVICZJBBAK-UHFFFAOYSA-N 437.499 4.690 30 10 IJEE Cc1cccc(CN=c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(C#N)cc3)[nH]2)c1 1873477658 TUJNXFPYRWJKBH-UHFFFAOYSA-N 431.503 4.773 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)N[C@H](C)c3ccc(OC)cc3)c(=O)oc2c1C 1873937551 NFBAPRBVHUZGDJ-GOSISDBHSA-N 435.520 4.793 30 10 IJEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874346776 FYSXUCIRSVROTM-HYARGMPZSA-N 443.916 4.622 30 10 IJEE Fc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874466225 CUSRSFOVZHEVCN-ZMOGYAJESA-N 436.468 4.623 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2F)cc1 1874472786 XHUBPUKSESLXHP-BUVRLJJBSA-N 428.533 4.569 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCCCO)cc1OCC 1874479543 GEEUNXCMGUYSRH-HKOYGPOVSA-N 448.633 4.945 30 10 IJEE CCSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874481861 BTIKNNARBNZQBC-BUVRLJJBSA-N 438.553 4.798 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2F)c(C)c1 1874492106 ZNBXYPWAARXDJS-DHRITJCHSA-N 439.560 4.846 30 10 IJEE COc1cc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCCO)c(OC)cc1Cl 1874587318 HBTOSIIDKGMBSL-AATRIKPKSA-N 441.307 4.677 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC(=O)OCC(C)C 1874598282 DRHRZVRPWXVIJD-JXMROGBWSA-N 426.509 4.795 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 1875102800 FPVYMNAIGRQYPH-VZOQVYJPSA-N 439.464 4.536 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1cnccn1 1875144401 QWVISYFCONQARR-CMDGGOBGSA-N 444.487 4.646 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1C 1875187868 ILAXYLAZWBEDSR-VQHVLOKHSA-N 432.432 4.731 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cc(F)c2C#N)CC1(C)C 1878906403 UCGXSZPSWPGQAV-LBPRGKRZSA-N 426.330 4.907 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CC3)c1 1925711640 YBBUPRFOWNPXGR-DEOSSOPVSA-N 443.544 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 2033813862 IVABIOHENHDXOH-IBGZPJMESA-N 429.419 4.944 30 10 IJEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(I)c1C#N 2080025069 MWXUFGXDPHYIOW-AWEZNQCLSA-N 431.199 4.686 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NC 2110509880 MHDRKICHZFLZMJ-GJZGRUSLSA-N 447.776 4.679 30 10 IJEE N#Cc1ccc(Br)cc1O[C@@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2162012639 WSPAAIWTDSKLCT-FPOVZHCZSA-N 430.298 4.682 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)CCC1(F)F 2174812376 KKAUSOJKYHGXHR-OAHLLOKOSA-N 448.283 4.589 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181145778 BYSOCXANGKWVEN-IGCXYCKISA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 2208933159 JDAVDEZWXIGGTJ-DEOSSOPVSA-N 427.545 4.717 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1cn(CCCNC(=O)OC(C)(C)C)cn1 2218264061 NNHOAUOEPRRPKV-QHCPKHFHSA-N 442.604 4.612 30 10 IJEE CC1([C@H]2CSC(=Nc3ccc(Br)cc3I)N2)CC1 2223679351 ONDIVBDLIHAYMT-LLVKDONJSA-N 437.144 4.546 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C(F)(F)CCNC(=O)OC(C)(C)C 2235749785 NRQIYBGQGYKIEQ-QGZVFWFLSA-N 445.348 4.719 30 10 IJEE N#Cc1ccc(Nc2ccc(Br)cc2I)cc1[N+](=O)[O-] 2240326282 XLZBEHOOYZQESD-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2244328936 VFZFOXVKTJPATK-XVQYUUQNSA-N 433.574 4.634 30 10 IJEE CCN[C@@H](C#CC1CCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2251408849 XDWWCZNTRHAGEA-QHCPKHFHSA-N 426.601 4.612 30 10 IJEE C[C@@H](Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1)c1ccccc1NC(=O)OC(C)(C)C 2266708923 RESWYORYFMJUQI-MRXNPFEDSA-N 440.349 4.868 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)c1 2268649832 FTZKSSQQMPRMGC-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1 2268653430 MWLWYWKMMPKIOT-LJQANCHMSA-N 442.365 4.508 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(CC)n2)CCCN(C(=O)OC(C)(C)C)C1 2287698199 QYROBWUGFINMDN-HXUWFJFHSA-N 440.382 4.774 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@H](N)CC#CC1CCCC1 2289847574 JNVRVPTWNFFYRC-WOJBJXKFSA-N 435.406 4.796 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cccc(C(=O)O)c3)[C@H]2c2ccc(Cl)cc2)cc1 2296088582 FUDKYUROYRNCIQ-NRFANRHFSA-N 447.874 4.973 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 2296218275 CINNMNRIQQHYHQ-IPMKNSEASA-N 439.369 4.516 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C#Cc1cccc(Br)c1 2296222504 SJTYPMHLVRXYDN-XMSQKQJNSA-N 436.390 4.835 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2296224149 HJVKNNPQUHQXBM-OALUTQOASA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2ccc(Br)cc2)CCC12CCC2 2296268725 IGQCZPBXGNXYSO-IEBWSBKVSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2296295412 CNTACIZCZPJIIW-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F 2296305997 ATVQUWVYAIDMPC-OXJNMPFZSA-N 445.348 4.575 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)c1 2297059768 HSYQGXQUIWRJOP-DEOSSOPVSA-N 442.515 4.836 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1c(F)cccc1Cl 2320930036 VPCQEUHVKWGMGF-UHFFFAOYSA-N 445.951 4.863 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(CCCCN(C)C)CO2 2322381415 SYINOGMDTIVVHY-UHFFFAOYSA-N 445.563 4.597 30 10 IJEE COc1ccc(C=C2Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)cc1OC 2325103554 SEJFUQYJTPGKCY-UHFFFAOYSA-N 440.492 4.678 30 10 IJEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2326810176 CDXTYNHHLSGQCX-UHFFFAOYSA-N 425.514 4.848 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc([N+](=O)[O-])c1 2327082395 SIVHIIMJLNWYPQ-UHFFFAOYSA-N 425.514 4.501 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc([N+](=O)[O-])c1 2327288823 XDDUYWSZLACDNE-UHFFFAOYSA-N 437.525 4.851 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2329115637 KSJXQGJWQMPRGF-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1cccc2ccccc12 2330520782 RRAIFARJWXSPLJ-UHFFFAOYSA-N 444.560 4.950 30 10 IJEE CCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)c1 2330961048 AYISPBJMFUCTMB-HXUWFJFHSA-N 426.517 4.842 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2C)cc1 2331116099 JNCKGFOWGFAYSD-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1c(OC)ccc2ccccc12 2331417499 UTEUXUFGVRKLGI-UHFFFAOYSA-N 440.569 4.665 30 10 IJEE CCSc1nnc(C(C)C)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2331691917 QBVUEBLKRDIILJ-UHFFFAOYSA-N 441.395 4.954 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)c(OC)c1 2331717230 JXZFNBUVOMULIS-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1 2331717365 DXGSFNOFMWVDFL-UHFFFAOYSA-N 445.470 4.787 30 10 IJEE CC#CCN(C[C@@H](NCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2337912668 KQFFPDNESKIPLI-QGZVFWFLSA-N 427.358 4.808 30 10 IJEE Cc1cc(CN[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2343582361 DFQGSLAERWDTRY-DNQXCXABSA-N 435.417 4.768 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2360196346 OWHOVAGIIQTECW-JLEJFLCFSA-N 433.390 4.602 30 10 IJEE Cc1cc(CN[C@@H]2CCCCCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369692286 WCLHNFFYSZLHDX-RUZDIDTESA-N 448.460 4.829 30 10 IJEE CC1(C)C[C@@](Nc2ccc(C#N)c(Br)c2)(C(=O)O)[C@@H]1OCc1ccccc1 2378739209 GNHXYSATHSDUKL-NQIIRXRSSA-N 429.314 4.571 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)N 2381199284 YGRHMYPFYKGPKQ-UFNANVBGSA-N 434.378 4.990 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2cccc(C)c2C)NCCc2cccs2)n1 14159015 YTXVGCYXLFGAIE-UHFFFAOYSA-N 438.626 4.769 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 21231104 CHNQODULFIJCBO-UYAOXDASSA-N 434.492 4.696 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1 34955316 ACANILNRTWVZDT-JYRVWZFOSA-N 448.471 4.836 30 10 IJEE C=CCc1ccc(OCCn2c(CCNC(=O)C(CC)CC)nc3ccccc32)c(OC)c1 40198125 UPPUXXNFNYWQHY-UHFFFAOYSA-N 449.595 4.947 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)cc1 41285790 RAOUTTBHRHEVML-XKZIYDEJSA-N 444.439 4.626 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 41586783 BBSCKJWYEZHJHQ-NYAPKIOYSA-N 445.446 4.831 30 10 IJEE CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)cc(Br)c1O 101512874 XBXLMFFUVKCVPS-BRQLWOPXSA-N 433.327 4.787 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2O)cc1 169923943 XVVVJWLSBDFMJA-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970895 WFBYBGPOXNAYRD-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 169979460 ZVXRSPQQPHUKHE-XMMPIXPASA-N 447.531 4.930 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103094 MNPWHKWOCZYPGN-OAQYLSRUSA-N 438.443 4.729 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2C2CCCC2)c1 170121509 YJJVBPFLTDAXIL-NRFANRHFSA-N 441.911 4.878 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1 170203925 MZJBUBMISUZTJV-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)cc1 170204497 CYQRHZPGKJMVAH-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc(OCC)c1 170217819 LBCYWAXCGBVHEM-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2F)c1 170250745 ZVBQYDZREVYHNS-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170279366 GFGXMDUWPLCVJG-JOCHJYFZSA-N 428.444 4.875 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccco1 170295465 MGWXAGDMSHVILC-SFHVURJKSA-N 438.307 4.980 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2OC)cc1 170411480 CDQSOGSQUBYABX-QFIPXVFZSA-N 449.528 4.586 30 10 IJEE N#CCCn1cc(/C=C\C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c2ccccc21 206294928 JHULAUGXQPLYCI-RAXLEYEMSA-N 432.487 4.941 30 10 IJEE Clc1nc2ccccn2c1C=NN1CCN(C(c2ccccc2)c2ccccc2)CC1 254456807 DLYBQCQBXFAMNS-UHFFFAOYSA-N 429.955 4.729 30 10 IJEE C=CCn1c(SC[C@H](O)CC(F)(F)F)nc2sc(-c3ccccc3)cc2c1=O 470030605 IBVFNYJVOGAYPV-CYBMUJFWSA-N 426.485 4.716 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 470549816 QIWWJRDAQASKCK-UHFFFAOYSA-N 429.524 4.805 30 10 IJEE C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(Oc2cccnc2)cc1 487910025 GIGYIEYGQRWJKE-JKSUJKDBSA-N 432.549 4.974 30 10 IJEE C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCO[C@@H](C2CC2)C1 508897330 WTNZMUCBNPZAHY-HSZRJFAPSA-N 427.508 4.555 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 508929549 IBYYSAFYHCMQJC-GOSISDBHSA-N 448.502 4.914 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 610766964 YBJBEYQYLAZNIJ-GOSISDBHSA-N 436.512 4.721 30 10 IJEE CC#CC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686827435 YCANFHLHHYGPPA-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE CC(C)(C)C#CC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686843311 FAOYSUZYXWWQEM-JOCHJYFZSA-N 428.617 4.737 30 10 IJEE COc1ccc(-c2csc3ncnc(NN=C(C)c4ccc5c(c4)NC(=O)CO5)c23)cc1 744754914 DYMOJPGGABAMLO-UHFFFAOYSA-N 445.504 4.534 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2CCO[C@@H](c3cccc(OC)c3)C2)c1=S 765150579 PPTUSRQXVDPHFY-JOCHJYFZSA-N 436.581 4.615 30 10 IJEE CC(=O)[C@@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 768699836 YJMWPRVGRBMNDG-LJQANCHMSA-N 440.377 4.520 30 10 IJEE C#CCOc1ccccc1OC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 788356976 CHAHVFJRNDYVNH-KRWDZBQOSA-N 444.915 4.617 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccsc1 790748392 NDQDDSDIEQITSG-OAHLLOKOSA-N 439.484 4.913 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C1SCCCS1)c1ccc2c(c1)OCO2 1124144968 HZIFWCVMYCZFPZ-UHFFFAOYSA-N 429.563 4.710 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(Br)c(C)c2)CCCN1C(=O)OC(C)(C)C 1129650714 IYZQQGJFFVNPLA-NRFANRHFSA-N 437.378 4.720 30 10 IJEE Cc1cc(C)c(C#N)c(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 1130814812 FQPRWLIMJAZLNV-OAQYLSRUSA-N 432.911 4.723 30 10 IJEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCCc2ccccc21 1134093604 QVDZZRWFIHTANW-JTSKRJEESA-N 441.358 4.886 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)C1 1143068193 LMDUKHUQWIKAAJ-SFHVURJKSA-N 444.984 4.633 30 10 IJEE C#CCN(Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCOc2ccc(Br)cc21 1167420705 JMIXYYZQUZOIEN-LJQANCHMSA-N 448.744 4.970 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)n(-c2ccc(F)cc2)c1C 1171399287 CYLWKTUXBPYZPO-SFHVURJKSA-N 429.499 4.608 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 1178974386 LOELFXQUPCUUMP-RHSMWYFYSA-N 448.951 4.817 30 10 IJEE COc1cccc([C@@H](CNc2nc3c(c(C#N)c2C#N)CCCCCC3)N2CCCC2)c1 1184562547 AWNUERLJRFTPHP-RUZDIDTESA-N 429.568 4.742 30 10 IJEE Cc1ccc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cc1Br 1188742938 CHIHHNCBOSCVSE-UHFFFAOYSA-N 432.115 4.755 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1)c1ccc(F)c(F)c1 1234566774 QDKJIYMPFDNMIR-MAUKXSAKSA-N 449.523 4.723 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1286367541 KUGYQILOAZBOLW-UHFFFAOYSA-N 445.741 4.671 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC(F)(F)C1 1286440984 OXFGJBBNROUKCM-CYBMUJFWSA-N 441.295 4.742 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(CC)Cc1ccccc1C 1286563366 JJMKVQHFMZDDBX-UKILVPOCSA-N 431.584 4.580 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286590194 WKHGXCMMUQJURS-SFHVURJKSA-N 428.943 4.969 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCCCC2=O)CC1 1286638993 SXWZXHARXHSSBN-UHFFFAOYSA-N 427.980 4.548 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286682947 YLGQGJAPJMWRSK-MRXNPFEDSA-N 428.943 4.821 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc2c(n1)CCCC2 1286718671 RTRZBRJKLZIAKA-UHFFFAOYSA-N 444.402 4.713 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1cccs1 1286832291 RKRJMBYBSZKODR-QFBILLFUSA-N 442.610 4.969 30 10 IJEE COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1 1297713032 DINHYPYVTQQLAX-DEOSSOPVSA-N 429.520 4.700 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 1299432594 SXXIIOBQGLUAAF-MRXNPFEDSA-N 429.483 4.960 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC1CCN(CCC(C)C)CC1 1300612042 RTLGATIKMSLYMP-UHFFFAOYSA-N 428.024 4.816 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1CCOc1ccc(Cl)cn1 1300789872 BNENHJXGOZOQDW-XMMPIXPASA-N 435.959 4.627 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1Cc1cccnc1OCCCC 1300809098 SQHFCPHUDFNLLS-AREMUKBSSA-N 447.558 4.622 30 10 IJEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCSC)CC1 1301120648 YGYXFKPHMBNMFX-UHFFFAOYSA-N 438.601 4.530 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1301146301 ZFSSZWUGGXZFLJ-UHFFFAOYSA-N 438.963 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2CCCO2)CC1 1301154465 SDKWTHMMPPYFOA-HSZRJFAPSA-N 438.616 4.875 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1301173364 GHIWSZMERHXLES-UHFFFAOYSA-N 428.556 4.687 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1301186074 QTSMLYZVAYWCEY-OALUTQOASA-N 434.588 4.827 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(CCOC)CCCC1)C1CC1 1301316273 JTKJKZVXBSUNAM-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC[C@H](C)N1CCCCC1 1301351487 UICPMIPJYPWKIJ-NRFANRHFSA-N 448.590 4.936 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1301542204 LELNHDMPGMDSNZ-XGHQBKJUSA-N 430.980 4.583 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(SC(F)(F)F)c1 1303777085 KCLFMJPRLWTYIO-CZUORRHYSA-N 430.492 4.782 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCC[C@@H](C)C1 1305047413 GFSWERAGMJDGSA-MSOLQXFVSA-N 447.052 4.694 30 10 IJEE CCOc1ccc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1OC 1310721574 AJGJJPNFVVGUEM-UHFFFAOYSA-N 447.539 4.770 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 1311749043 XTWCLYVXSUVEGW-HNNXBMFYSA-N 436.474 4.882 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccccc1 1312333915 FDWZBKBRVBIVCK-QHCPKHFHSA-N 425.536 4.646 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cncc(OC)c1C)c1ccc2c(c1)OCO2 1351622457 IOBSBAGJMSZWDP-UHFFFAOYSA-N 432.476 4.539 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 1353401430 DVMFPEFUWFYYGL-YPAWHYETSA-N 425.573 4.578 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)c(OC)c1 1353974127 SACQEEMKIIORPX-UHFFFAOYSA-N 444.531 4.680 30 10 IJEE COc1cc(C#N)ccc1C(=O)O[C@H](c1cc(Br)ccc1F)C(F)(F)F 1354890291 DJZKUJJGXJBHKN-OAHLLOKOSA-N 432.167 4.929 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359052219 YHMGHEQTQBZUHM-RXVVDRJESA-N 449.451 4.894 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)c2c(C)noc2C)CC1 1359180315 ABAJIWIGWJGMTK-GOSISDBHSA-N 435.572 4.711 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359186236 ZCCWWONHDSQEFZ-QUCCMNQESA-N 442.604 4.552 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccccc1 1359194339 TZZPOWPKKXOUFL-GMAHTHKFSA-N 431.584 4.870 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 1359195397 LSIWXWRJQQDRKW-OALUTQOASA-N 436.522 4.994 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 1359219747 BLPXIJRCBWOSQT-UHFFFAOYSA-N 444.023 4.931 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1)C(C)C 1359265150 ZLHDTMHCAKJVOZ-ZFGGDYGUSA-N 432.616 4.608 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1359755796 GTHBVBFYISKQPA-IRLDBZIGSA-N 435.597 4.618 30 10 IJEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1360816962 AGZJJNYXSMHNSK-SFHVURJKSA-N 429.515 4.791 30 10 IJEE CCc1c(Br)cc(C(=O)NCc2ccc(C#N)c(F)c2)cc1Br 1436750564 DTDUDLMNZZLSTB-UHFFFAOYSA-N 440.110 4.715 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1ncc(-c2ccccc2)[nH]1 1442315591 WMTBNLJHDJFEIU-DLBZAZTESA-N 432.952 4.680 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC)cc1OC 1447576898 SDWCRFYINIXJSC-DDNJPHGJSA-N 444.572 4.521 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1)C(C)(C)C 1450591082 DOGKOAZGFTXGSC-QFIPXVFZSA-N 440.609 4.871 30 10 IJEE C#CCOc1cccc(NC(=O)Cc2csc(-c3sccc3Br)n2)c1 1456314707 MMMNBKBYEYUPCX-UHFFFAOYSA-N 433.352 4.827 30 10 IJEE CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)o1 1456596500 IAZLYVDINJKEQQ-DYESRHJHSA-N 439.943 4.864 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(-c2ccncc2)cc1 1457339257 AWULNYXLEZZGKY-HRAATJIYSA-N 444.922 4.504 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 1465092917 AJPGOZFJPUCQBD-UHFFFAOYSA-N 448.535 4.974 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 1465814822 URRYKKVSXOXQJY-UHFFFAOYSA-N 445.850 4.971 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C 1470156269 MWWPVNBDJIBQMX-ROUUACIJSA-N 440.943 4.540 30 10 IJEE C=CCn1c(SCc2nc(C3CCC3)no2)nnc1-c1ccc(Br)cc1 1472935771 KLIBSUBIVZEALA-UHFFFAOYSA-N 432.347 4.836 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(NC(=O)C3CC3)nc2)cc1OCC 1474079697 AUSOBDOWRJLWRK-UHFFFAOYSA-N 446.345 4.768 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 1477535744 WOPYKOZLBOWPKA-OAQYLSRUSA-N 430.907 4.555 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccc(C)cc1)c1ccccn1)c1ccc(Br)cc1 1478579073 XAYVVZVVNVHYIZ-RBBKRZOGSA-N 434.337 4.916 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CC1CCC(F)(F)CC1 1498052658 DJBWLJPDMJKSFJ-QGZVFWFLSA-N 431.531 4.841 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(F)cc1Cl 1507547951 QNMKXVDARMXJER-XFQXTVEOSA-N 432.971 4.690 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCC1CCCC1 1507643897 VMVVTXKZDRGWNQ-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)c1cccs1 1507665912 WSPMEQCFBGQGRX-UHFFFAOYSA-N 441.604 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1507761432 GXDYHBXVQPLRAA-MFSJNOQSSA-N 442.007 4.827 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCC(F)F 1507810692 LQHGRVSIWLFJPT-UWJYYQICSA-N 436.572 4.951 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H]2C)CC1 1507894736 KJKZIFBKGUYBKI-YLJYHZDGSA-N 442.007 4.700 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507900374 LTJNUWVGAOIHIE-FQRUVTKNSA-N 432.616 4.730 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1507925327 AAYKFXSLOWUJHW-UHFFFAOYSA-N 446.876 4.988 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1507955777 QVEYQVMMUXWLDN-QFIPXVFZSA-N 426.605 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C)c1ccccc1 1508006572 IBZWRZRFQDBEIE-WIYYLYMNSA-N 435.597 4.677 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1508025933 DUYAKJCKIRWUHR-NZQKXSOJSA-N 435.572 4.619 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2Cc2cscc2C(F)(F)F)C1 1508113143 VKXZMVGQUSSCSC-QGZVFWFLSA-N 434.487 4.855 30 10 IJEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCC#N)CCC(C)C)cs1 1511558035 ANZBBTPIFBSZGU-UHFFFAOYSA-N 433.585 4.591 30 10 IJEE CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@@H]2C)on1 1513304163 IFRNQBYTEBYPAG-ROUUACIJSA-N 448.571 4.903 30 10 IJEE C#CC[C@]1(C(=O)NCc2cccc(COc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1517566354 RGGVQTBFOYOZQV-HHHXNRCGSA-N 448.563 4.675 30 10 IJEE C=CCN(C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1522165085 GJGBUNBKWFOGGU-PMACEKPBSA-N 437.433 4.905 30 10 IJEE Cc1cccc(F)c1-n1nc(C(=O)Nc2ccc(Br)c(C#N)c2)c2c1CCC2 1527158142 DYDFACIHOAJBSE-UHFFFAOYSA-N 439.288 4.695 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](C)CSc2ccccc2OC)CCCN1C(=O)OC(C)(C)C 1530576247 WGXAGPWXZHTUSL-KOSHJBKYSA-N 448.629 4.885 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 1532102893 AYJQPMGRCOFRIL-UHFFFAOYSA-N 426.394 4.966 30 10 IJEE C#Cc1cccc(N(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)C(C)C)c1 1537135599 XUYLDONGXCVMEQ-UHFFFAOYSA-N 427.529 4.548 30 10 IJEE Cn1ccc(-c2cc(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)no2)n1 1537451842 BQLAXJYYSXCRFT-UHFFFAOYSA-N 436.287 4.617 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H](C)c1cccs1 1539097520 PSACLSVDMQKLBZ-MRXNPFEDSA-N 440.569 4.643 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1C 1539305106 PKQOPRYDMCXOTH-PKOBYXMFSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCC1(COC)CCCC1 1539351050 KDKNGCSEKXOKNM-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C)CC1 1539622079 VKOGCVQMPAGPCL-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(C)ccc1F 1539759802 KWBIAZKNBFOFED-IFMALSPDSA-N 444.595 4.873 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1539824233 QAOFTTGMICRIIL-DEXNDLTESA-N 447.838 4.969 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1CSC)c1ccccc1 1539939597 JELUCUPPGMUTLP-BHIFYINESA-N 426.630 4.864 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](SCC)C1 1539971437 GWZBVQUKLJSJKX-OAQYLSRUSA-N 438.645 4.985 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCCO2)C1 1540886461 DIOWKFUJHBOSRK-SJORKVTESA-N 437.371 4.602 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CCCN1C(=O)OC(C)(C)C 1542203581 MMJNPPLGHQYHNZ-HXOBKFHXSA-N 448.633 4.659 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1OCCN1CCCC[C@@H]1C 1544465592 POANSHDYDONESM-QFIPXVFZSA-N 438.616 4.936 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)cc1 1544716743 ZEHXYESUYMQJLR-FQEVSTJZSA-N 428.326 4.837 30 10 IJEE C#CCOCCSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 1559313935 KPTYRNXTOBDHRU-UHFFFAOYSA-N 442.382 4.692 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc3cc(C(F)(F)F)ccc3s2)c1 1559348653 UQJQBHCWTPFFMM-UHFFFAOYSA-N 435.452 4.737 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(C(C)(C)C)cc2)nnc1-c1cccs1 1559382817 XOQXFGMTJIIXGJ-UHFFFAOYSA-N 440.638 4.941 30 10 IJEE CO[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(Cl)cc1 1562533048 BHNAQEUVTMEWDZ-SFHVURJKSA-N 430.295 4.560 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 1562543634 AFMDNUBQPLTELY-NRFANRHFSA-N 439.924 4.637 30 10 IJEE C[C@H](NC1(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCCC1)c1ccccc1 1562613078 GDSWVMHGXNULRA-SFHVURJKSA-N 446.530 4.668 30 10 IJEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3)c3ccccc32)cc1 1562623346 FKBIEZVCQUAPBK-VGOFRKELSA-N 431.517 4.556 30 10 IJEE C#CCN(C(=O)Nc1ccc2ccnc(Cl)c2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1562972176 XMMMAAJLJSMXEE-UHFFFAOYSA-N 442.947 4.755 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)C1 1563486735 OAPHXYJRRACWLU-YKSBVNFPSA-N 428.580 4.811 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1565000019 RTMDUBBDHAWCJF-XUVXKRRUSA-N 449.776 4.834 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1566676021 QZEVOIXDEPGGCG-ROUUACIJSA-N 444.494 4.759 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 1584641698 JGXQJGIOFPMVOB-UHFFFAOYSA-N 443.341 4.505 30 10 IJEE CCCCc1ccc(C(=O)CCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 1587500774 HJUWZHDWOSHKCR-XMMPIXPASA-N 435.543 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1Cc1ccnc(OC2CCCCC2)c1 1587604217 TZAZYQFWZNPUKD-FQEVSTJZSA-N 429.568 4.866 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CC)CCOCC1 1588280165 HMHUINOSPIGFAI-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1sccc1C 1588604216 DVPLDRHCAHNNMQ-UHFFFAOYSA-N 449.407 4.951 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CCC(C)CC1 1589047738 HIQDWJVCOHTNFB-UHFFFAOYSA-N 434.613 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(C)C)C1 1589557398 HRGBEEJCCCOVSX-SLSDLSHTSA-N 438.616 4.731 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCC(C)CC2)CC1 1594013056 BJHKSMYZBRHPFE-SFTDATJTSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1594521518 PZCWALIPXJIXGS-RTWAWAEBSA-N 440.636 4.526 30 10 IJEE C=CCCCCn1c(N2CCCN(C(=O)CCc3ccccc3)CC2)nnc1C(C)(C)C 1594661168 RSANSKVFSCEMKF-UHFFFAOYSA-N 437.632 4.603 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1Oc1cccc(F)c1 1595211785 HVNQUEZSDIAUCI-HXUWFJFHSA-N 449.530 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCCCCC1 1595229536 UBRLCVOHCICWAP-UHFFFAOYSA-N 430.980 4.774 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(Sc2ccccn2)c1 1611125224 XLPIBBJBYCTUSW-HNNXBMFYSA-N 434.949 4.602 30 10 IJEE C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 1618114010 FCQCKADMFIZMQG-YJYMSZOUSA-N 437.849 4.631 30 10 IJEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2C[C@@H](SC)C(C)(C)C)cc1 1619232897 BEZGBWDERYMSFG-OAQYLSRUSA-N 441.645 4.590 30 10 IJEE C#CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 1620613461 GPSVXYTXFNNPMF-FQEVSTJZSA-N 446.288 4.712 30 10 IJEE C=CC[C@@H]1CCN1C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1623101814 FMWXTXVHLJEOKH-LJQANCHMSA-N 428.330 4.561 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1ccccc1 1624054076 FNYWJDYLTCNFOG-JOCHJYFZSA-N 425.504 4.517 30 10 IJEE N#Cc1ccncc1N1CCN(C(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)CC1 1625326710 FGLMTHCOHJVWPW-HSZRJFAPSA-N 448.979 4.789 30 10 IJEE C=CC1(CC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)CN(C(=O)OC(C)(C)C)C1 1631511325 WXCMAFNXVACTEB-GOSISDBHSA-N 428.577 4.521 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C 1632046358 AGWQRIFIWUPTCK-JIROWCAOSA-N 448.563 4.542 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)cc1OC 1632829459 GXRLAHNDDRIOEL-FTXPHJNYSA-N 434.580 4.786 30 10 IJEE C/C(=C/C1CCC(C)CC1)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1633104399 MBAPHSDMBJSRQU-JGPBRBIHSA-N 444.417 4.931 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 1633417667 PFYDINQCUKXWCV-JOCHJYFZSA-N 437.975 4.522 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](C)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 1633467376 UGDBBQWRHGIFJJ-OXQOHEQNSA-N 433.474 4.717 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1634029720 HOZGPECXLBHGKC-UXPWSPDFSA-N 448.405 4.687 30 10 IJEE C#CCN(CC(=O)Nc1c(-c2ccc(Cl)cc2)ncn1C(C)C)C(=O)OC(C)(C)C 1635503594 NPKCNIGGHPJTFW-UHFFFAOYSA-N 430.936 4.593 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCC(C)(N2CCC2)CC1 1638809526 LOTHPNKMONEBOU-UHFFFAOYSA-N 438.385 4.693 30 10 IJEE COc1ccc(CSc2nnc(SCC(=O)[C@@H](C#N)c3ccccc3)s2)cc1 1643490764 DYNJZLSGQPRKPQ-KRWDZBQOSA-N 427.576 4.808 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 1644837246 BDBAOFFKLVDKEY-SANMLTNESA-N 440.547 4.690 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(Cc2ccccc2)C[C@H](O)c2ccccc2)cc1C 1645613887 FXDMFALXCGXAFR-MHZLTWQESA-N 441.575 4.786 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)c1ccc(Br)cc1 1645728469 YIMUWYOIBDIEAT-WBMJQRKESA-N 445.785 4.705 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)C1 1646391664 IKNCJYKOSADKOV-OAHLLOKOSA-N 430.957 4.529 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540581 UTWXLFPRGFRCBV-BFYDXBDKSA-N 445.654 4.556 30 10 IJEE C#C[C@@H](NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccc(Cl)cc1F 1655294783 ATMDPDXNIZDMKZ-LJQANCHMSA-N 441.858 4.662 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CC(=O)OC(C)C)C(C)C 1662577033 HEHKRLAQSAFCSE-HNNXBMFYSA-N 427.339 4.502 30 10 IJEE C=C(C)[C@H](NC(=O)NCCc1coc(-c2ccc(OC)cc2)n1)c1ccc(F)c(F)c1 1667986459 RNNQRJNNTLFWGQ-NRFANRHFSA-N 427.451 4.788 30 10 IJEE C[C@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)c1ccc(-c2cccc(C#N)c2)cc1 1668534986 FSUNJPXRBUKFTG-AWEZNQCLSA-N 442.443 4.586 30 10 IJEE CC#CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1Oc1cccc(Br)c1 1670068639 DGILKWPELWQVPZ-OAHLLOKOSA-N 437.721 4.791 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)c1ccccc1 1670775666 PVZOUPFJYCIUDD-OAQYLSRUSA-N 426.630 4.975 30 10 IJEE C#CCC1(NC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CCOCC1 1674394067 RLSZPKGZBOAKRF-UHFFFAOYSA-N 445.441 4.652 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC3(Cc4ccccc4Br)CC3)cc21 1675098415 IBISYXDSGRWENW-UHFFFAOYSA-N 425.330 4.882 30 10 IJEE Cc1cccc(C(NC(=O)N2CCN(c3ccsc3C#N)CC2)c2cccc(C)c2)c1 1680129002 DJODEJOSFFSSFL-UHFFFAOYSA-N 430.577 4.858 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 1686919359 DXRAVMSEQOCXLS-NHCUHLMSSA-N 425.573 4.620 30 10 IJEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCC)CCc1cccs1 1689922728 YCNQDRFUPGAZOZ-UHFFFAOYSA-N 436.581 4.650 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1690161411 FARGWGBNLGJGBR-MRXNPFEDSA-N 429.615 4.738 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1690266584 BQGXNLCJWXKRHE-QFIPXVFZSA-N 427.612 4.778 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690404441 DKDBRLKDFWLDFT-IBGZPJMESA-N 443.020 4.760 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1690506704 YSMSGXBBDZDPKR-OAQYLSRUSA-N 434.588 4.596 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1690601896 DUHYZCYBJWLIQO-UHFFFAOYSA-N 441.366 4.824 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(C)(F)F)cc1 1690607396 LRYSGFSMEBHKET-IBGZPJMESA-N 442.510 4.770 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1CC1C[C@@H](C)O[C@H](C)C1 1690609627 VLIIMEOXWXUYTI-RTBURBONSA-N 440.613 4.962 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1C 1690736102 SUTSINGWMBLJJZ-CYBMUJFWSA-N 425.371 4.755 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCSC1 1690738465 NSAJOBZIYXWZOQ-AWEZNQCLSA-N 439.448 4.569 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(F)F)C1 1705522177 XFNZNJUCRKYIPG-KRWDZBQOSA-N 434.556 4.864 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1CSC 1705527590 CSHGBYZQTVQEDG-QGZVFWFLSA-N 433.419 4.761 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCCN1CCC(C)CC1 1705558318 RXJXUHBCOUEPHJ-UHFFFAOYSA-N 446.064 4.805 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](OCCC)CC1 1705654464 JOLODVRRFUQWJT-FQEVSTJZSA-N 438.597 4.843 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1705701737 CTYWUEPSPVNTAA-FOIQADDNSA-N 449.382 4.834 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CCCC 1705704257 RPBXXGSEKNJBAQ-NFBKMPQASA-N 434.588 4.738 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCN(C)C(C)C)CC1 1705763586 YNWYPYIAYJCNJJ-JOCHJYFZSA-N 425.621 4.922 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CC1 1705768348 PSGWEOCKJSTZOK-SFTDATJTSA-N 441.620 4.905 30 10 IJEE C=CC[C@H](Cn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1C(C)(C)C)c1ccccc1 1705797974 HXDHVNGQNJRNEQ-JOCHJYFZSA-N 448.615 4.554 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1705801197 WZCIPOXIAVORRO-QGZVFWFLSA-N 429.931 4.527 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705805425 GWQFPGKJLNRJHV-GMAHTHKFSA-N 429.653 4.619 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1705808509 PKZFUZXQYQUYHY-OAQYLSRUSA-N 441.576 4.707 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](OC)C(C)C)C1 1705920152 RHHWSESOOLJEKS-YADHBBJMSA-N 426.605 4.695 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1CC 1722314109 HIXMDXDJADUJKK-UGKGYDQZSA-N 446.599 4.664 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCN1CCCC[C@H]1C 1722473791 DCMBMPZJQPJPBV-YIXXDRMTSA-N 433.644 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]1CSC 1722495920 IMZONEQBFAYSMO-HOJAQTOUSA-N 433.021 4.912 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN(C)C(C)C)CC1 1722561783 YTYFMEORRBDHIR-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2cccc(C)n2)CC1 1722568738 XVYJJAFYVLETGA-UHFFFAOYSA-N 431.584 4.967 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1722579193 CESRTFUVXXGHLL-UHFFFAOYSA-N 437.613 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722589927 QUUFTLGSXBHTMW-FPOVZHCZSA-N 428.552 4.746 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)c1ccsc1 1722643571 SJWVPRJWYQRQAX-DEOSSOPVSA-N 440.613 4.746 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1722653241 XEYRTOYWTDNMDD-UHFFFAOYSA-N 425.577 4.965 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)C(C)C 1722667073 UAJCKJLRZLCHKU-SDHSZQHLSA-N 449.643 4.649 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1ccco1)N(C)C 1722667204 ZVZXXPICMYTSIB-QHCPKHFHSA-N 442.567 4.876 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1723358696 FOBRDXBGLUMLIW-DENIHFKCSA-N 449.521 4.783 30 10 IJEE CC(C)N(CCn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1723541394 FBNFYJGGIXHNJJ-SANMLTNESA-N 436.648 4.702 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1nc(C)c(C)s1 1740533500 BTTMAUOALXMPKT-VQIMIIECSA-N 437.613 4.809 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC)C1 1740571896 VZCOXOUWGNTUBH-FQEVSTJZSA-N 446.599 4.666 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740584333 KIDDTBXEGLPRGJ-LJQANCHMSA-N 442.350 4.638 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1740717519 UZTIAHBBICIONO-SFHVURJKSA-N 431.675 4.690 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCCCO 1740724697 HOLOLCIPABARTF-NTKDMRAZSA-N 445.007 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1ccccn1 1740729799 MTPJYPKEQBSKEY-HHHXNRCGSA-N 443.595 5.000 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)c1nccs1 1740754000 BGTIPIUKTAMORZ-HLIPFELVSA-N 441.576 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCOC(C)(C)C 1740769551 OILATWKNAGDVCK-UHFFFAOYSA-N 427.412 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)c1ccsc1 1740776039 KRHOESXJPICNLH-XMMPIXPASA-N 440.613 4.846 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@@H](C)C1CCC1 1740787494 DLKROWHNQGFXBJ-HNNXBMFYSA-N 436.398 4.643 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1740796433 WMGXUTIWDLJVLM-DEOSSOPVSA-N 437.632 4.709 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@](C)(OC)CC1 1740806128 GVYDXEBQUQKLSG-LJQANCHMSA-N 439.785 4.856 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740846406 XRYIIYSVXYOSIV-UHFFFAOYSA-N 443.555 4.618 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](C(N)=O)C1 1740858311 NXNYDMLMSNAFRE-HNNXBMFYSA-N 444.004 4.871 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(COC)CC1 1740872027 WLUWQWWKYWVEHL-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCN1CC 1740918417 JKOARQXZNDCJSV-QHCPKHFHSA-N 430.600 4.716 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740943495 RDFIISHYEGIUDX-HSZRJFAPSA-N 435.616 4.625 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1740945555 YPKNWJFPLASXAV-ROUUACIJSA-N 431.378 4.678 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1740996336 MGKOIFKSOJZWEI-IKGGRYGDSA-N 436.622 4.807 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)C1 1740996709 QHVLERKIGAJRCS-MJGOQNOKSA-N 432.659 4.896 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1741409242 DJAWUVUAXZJZSN-UWJYYQICSA-N 445.970 4.929 30 10 IJEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CC[C@H](F)C2)cc1C 1742267783 FWVZWLGXIUZCCK-RTWAWAEBSA-N 425.552 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1nccs1 1748641405 GOVZLIPOPQDQLI-PMPSAXMXSA-N 429.977 4.790 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN(C(C)C)C(C)C 1748686189 KOXHWDXFZBDIKR-OAQYLSRUSA-N 439.648 4.731 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCO[C@@H]1CCCC[C@@H]1C 1748916804 DQZMEJZCHIZKLL-FXAWDEMLSA-N 430.980 4.662 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCN(CCC)CC1 1748939216 UJMXSBGZYCZDPX-UHFFFAOYSA-N 446.064 4.805 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCCC1 1749058479 KGCBDAZKKNTWBR-XUZZJYLKSA-N 426.008 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)c1c(C)noc1C 1749147994 WEQQUROMQNTMSG-MRXNPFEDSA-N 439.560 4.773 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H](C(=O)N[C@H](C)CCC)C2)nnc1C1(c2ccccc2)CCC1 1749207201 FQMNUASKTNKHNX-YADHBBJMSA-N 449.643 4.845 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nc(C)c(C)s2)CC1 1749305756 QDRDXBGJCYUMBF-UHFFFAOYSA-N 429.540 4.620 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCC[C@H]2C)CC1 1749335958 VOLGDTYLPHLUGS-WAIKUNEKSA-N 430.980 4.561 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1749348133 ZMNPWZWBSZKEGU-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1760145455 PIDFPKVJALEYRN-INIZCTEOSA-N 427.911 4.655 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCc2cccnc21 1760177761 NMMZYUWKTRXIJJ-JOCHJYFZSA-N 443.595 4.873 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1760226115 KRAMEPMJLQDVTB-RTBURBONSA-N 428.024 4.815 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCC1(C)C 1760243490 MEQAHPKQWWRSIA-JOCHJYFZSA-N 431.559 4.869 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C(N)=O)c1 1760330580 IHALZSAWXXWGTA-KRWDZBQOSA-N 449.624 4.681 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@@H]1CCOC1 1760350689 PZAMLLFDIHWDBD-INIZCTEOSA-N 447.004 4.879 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2nc(C)no2)CC1 1760382468 QVQYPCXSIXGALO-INIZCTEOSA-N 442.951 4.552 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@](C)(O)C2CCCCC2)CC1 1760393040 GFWPPWYYFBLWGZ-SANMLTNESA-N 438.616 4.907 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cccs1 1760431359 MKOWJZCNNUASFJ-UHFFFAOYSA-N 429.977 4.526 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760433095 QDXXGGQOXGXLRF-QRVBRYPASA-N 432.012 4.957 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CC1(N2CCOCC2)CCCCC1 1760481737 GJOXKXIEBAWHOP-UHFFFAOYSA-N 437.632 4.629 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C)c(C)s1 1760490583 AXYKXYNFEUMOFA-UHFFFAOYSA-N 431.512 4.847 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760506764 LWDLEBBSIFJIRL-OTWHNJEPSA-N 432.012 4.793 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2CC)CCS1 1765307425 HMLFUFBXOWVTQN-KCZVDYSFSA-N 439.629 4.887 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCC2)C1 1766780081 AWEQPMHPCQWFBE-LEWJYISDSA-N 439.629 4.744 30 10 IJEE CCCCCOc1ccc(CN2C(=O)C(=NO)c3cc(Br)ccc32)cc1OC 1772728837 FIIINLUMGPYGQC-UHFFFAOYSA-N 447.329 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1ccccc1)c1ccccc1Cl 1862429733 TZWQXJPXVUVHLY-QFIPXVFZSA-N 447.874 4.847 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862595819 QFYUBOKJYIFJKE-NRFANRHFSA-N 437.854 4.963 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 1862655700 NNXIZSIYSYXEGO-HSZRJFAPSA-N 429.472 4.621 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862688155 SLXZIUPVJYBYLJ-MWTRTKDXSA-N 429.472 4.740 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862736775 OFLBLKLTBWPNJY-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)C3CCCCC3)cc2)=C(c2ccccc2F)C1=O 1863300663 GUNSTEBHDOBJAZ-UHFFFAOYSA-N 447.510 4.723 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)CC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863390000 WFOMZUQYFXPXCS-UHFFFAOYSA-N 444.318 4.720 30 10 IJEE C=CCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCCCCCCCCC)C1=O 1863545994 WGCFAMMESWNZEX-UHFFFAOYSA-N 425.573 4.641 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccccc2Cl)C1=O 1863778408 LSTJBSGJCMJDDP-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE N#Cc1ccc(NC(=O)CCCN(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 1866047215 XWYMMURBLMEYJH-UHFFFAOYSA-N 428.492 4.888 30 10 IJEE O=C(CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1868147608 OSPAWFXCOCVQQF-CVEARBPZSA-N 448.338 4.722 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(C)c1 1870145884 UFCHTFPYCLMCNP-UHFFFAOYSA-N 447.539 4.551 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)COc2c(C)cccc2C)cc1 1870160305 LABNXHMEDUBDFP-UHFFFAOYSA-N 447.539 4.732 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)c1c(F)cccc1Cl 1870160674 DXGRTDKKTQOLOT-UHFFFAOYSA-N 447.857 4.763 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870162024 IWXSZYCMAVTEIV-VQTJNVASSA-N 446.942 4.525 30 10 IJEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCOC(C)C 1870350123 QONHHEFMZGUSMN-UHFFFAOYSA-N 439.600 4.736 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CN(CCC)CCCC 1870594974 ATWPBGLRYQHUIA-UHFFFAOYSA-N 442.600 4.903 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)cc1CN(C)CCCC 1870597162 OVZVJYICHKFCDF-UHFFFAOYSA-N 439.600 4.581 30 10 IJEE O=C(CCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871383993 JXARZWMVEGIGTJ-HMAPJEAMSA-N 431.400 4.586 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCOCC2)n1 1871585346 XSGWQTLSONJJGY-UHFFFAOYSA-N 440.636 4.989 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871861154 CLXSKEMBFMXTTA-JOCHJYFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871997225 KYDFHILGOJCSQG-GCJKJVERSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1cccs1 1872013374 GHCUUMFDRBMGED-FQEVSTJZSA-N 434.627 4.886 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872295536 RYLYXMUKMXUWAV-NFBKMPQASA-N 449.661 4.504 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)c1cccs1 1872479175 QDECBKJFTYXOBM-QFIPXVFZSA-N 440.590 4.867 30 10 IJEE COc1ccc(OCc2nnc(SC)n2/N=C/c2ccccc2F)c(C(C)(C)C)c1 1874194512 UBZOAMTWWFOXOT-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE COc1cc(/C=N/n2c(COc3ccccc3Cl)nnc2SC)ccc1OC(C)C 1874265631 HNHDDKYFHTWSFJ-FSJBWODESA-N 446.960 4.910 30 10 IJEE COc1ccc(CCc2nnc(SC)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874304692 MDPFNTOEJMHYHJ-PCLIKHOPSA-N 432.549 4.838 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccc2)o1 1874407721 MCSZVMZEXZWDBC-BUVRLJJBSA-N 438.553 4.955 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(F)c2)o1 1874428154 UNUWFLZEDRXKHT-ZMOGYAJESA-N 436.468 4.638 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874438964 CUYCMWZZCPEGHU-YDZHTSKRSA-N 439.541 4.963 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(F)cc1F 1874475285 RZULSDSLDJFUHC-BRJLIKDPSA-N 447.486 4.651 30 10 IJEE CC(C)Cc1nnc(SCCO)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874492268 GKEVTPYZGNBADC-ZVHZXABRSA-N 444.988 4.676 30 10 IJEE COc1ccc(Cc2nnc(S)n2/N=C/c2cccc(OCc3ccc(C)cc3)c2)cc1 1874562604 GIBLOPNASBXUQH-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE O=C(COc1ccccc1/C=C/C(=O)c1cccc(Br)c1)Nc1nccs1 1874575686 AJVUOYKRGXSVTA-CMDGGOBGSA-N 443.322 4.819 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(CCCOc3ccc(C)cc3)nnc2s1 1874772307 XMUSADQYRPLCIQ-UHFFFAOYSA-N 443.617 4.873 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1 1875147996 WLTKWSJOTRKBFL-DHZHZOJOSA-N 430.456 4.972 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cnccn1 1875190967 VXSUZFGMIPHLIG-QHHAFSJGSA-N 429.259 4.907 30 10 IJEE C=C(CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OC 1892320249 BHCZYNPYEQWFSU-NRFANRHFSA-N 441.549 4.650 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1922047204 PPYXQWQKZODAAX-JUDWXZBOSA-N 434.624 4.686 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922073794 HOUPRZPDCLTUMV-DHIUTWEWSA-N 426.557 4.818 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)C1CCOCC1 1922124033 DOOANYLLWNKXMJ-DNQXCXABSA-N 446.632 4.695 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 1922135475 ZSBHHOZLJSYBDU-HSZRJFAPSA-N 426.557 4.867 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1976227526 PGKAFRZSHLOOSQ-ZFWWWQNUSA-N 447.167 4.552 30 10 IJEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)c1ccccc1 1984696032 TWHDJAPBNDIYAE-IBGZPJMESA-N 439.515 4.860 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CCC2 1988285172 ORGKDJPGWUGJOT-JOCHJYFZSA-N 433.574 4.921 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2076117201 ANQWHASJCSAYPE-VRUMLPLGSA-N 446.632 4.524 30 10 IJEE CCOC(=O)c1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079240775 VUTOYWBJZJPQPI-UHFFFAOYSA-N 449.120 4.988 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn(Cc2c(F)cccc2C(F)(F)F)c1Br 2080230519 KTCFYCRLGCBHMN-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](Nc2cc(Br)cc(C#N)c2)(C(F)(F)F)C1 2105981214 IBEQPFZXWZGHEP-INIZCTEOSA-N 434.256 4.675 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1cc(Br)c(C#N)cc1F 2106012598 YKCBPURSYGQBLU-LRDDRELGSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Br)ccc2C#N)CC1(C)C 2181097922 IGWPLJCUZQYPBJ-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181099307 BMXZKPNOKVGAGM-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ccc(Br)cc1C#N)C1CCCC1 2204188632 XEWHMHVRZQLCBT-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE Cc1ccc(C#C[C@@H](O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223327700 BUQHKLJRJVWJLW-SQHAQQRYSA-N 435.564 4.551 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CC1CC1 2233309552 YOQLIEWTTKLUAV-YJBOKZPZSA-N 441.414 4.566 30 10 IJEE C=C(c1ccccc1)[C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237402978 PVNLCJYBEQXDQI-VQTJNVASSA-N 431.374 4.926 30 10 IJEE Cc1cnc(N[C@H]2CN(Cc3ccccc3)CC3(CCC3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241047719 XLDVKZJHAMQPGE-JOCHJYFZSA-N 447.432 4.546 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 2249368409 RAFHOGKGQRURPN-HJFCPUAFSA-N 433.593 4.999 30 10 IJEE C=CC[C@@]1(CO)CCCCN1C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2250431159 PLRHNIJEJPJIEM-VWLOTQADSA-N 430.589 4.524 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2255615334 KDCLTIPYBIDFOA-JCGIZDLHSA-N 430.354 4.693 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1cc(Br)cc(OC(F)(F)F)c1 2273103262 ZDDDIDKCIZZVKP-CYBMUJFWSA-N 438.240 5.000 30 10 IJEE C=CCCC1([C@H](NC)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2281032742 MNCQKXBNOJQJLE-GOSISDBHSA-N 439.394 4.922 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@@H]21 2296231304 CCTKVHQJTAMYTN-TVTNDZMWSA-N 432.358 4.843 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C1CC(CNC(=O)OC(C)(C)C)C1 2296275046 XNXDPTLZFDPAGH-AFMYVXGZSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C 2296280981 GIWHIAQHVHZWND-NNMXDRDESA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1cccc(C)c1I 2296285467 AXJWMAWUFBUTOV-MRXNPFEDSA-N 440.122 4.674 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)Cc1ccc(NC(=O)OC(C)(C)C)cc1 2296285512 BHIZLVXQNWPEBO-FQEVSTJZSA-N 429.358 4.978 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccc(Br)cc2)CCC2(CC2)CC1 2296286251 JJYRHYUTOUNAGF-UHFFFAOYSA-N 432.358 4.987 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296309107 QMYVDKJVJBHICX-OSGXGRJZSA-N 433.390 4.602 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c(OC)c1OC 2296867512 USIGISXHQAKLNI-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 2296932723 JRZJLIIWTKBYAX-XMMPIXPASA-N 434.580 4.882 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CCOCC1 2302435560 FNCBAGKCLGVAFC-SFHVURJKSA-N 437.581 4.522 30 10 IJEE Cc1nnc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc(Cl)c2)s1 2314475625 ZKYUCLZWPSGFIR-LJQANCHMSA-N 437.908 4.682 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2O[C@@H](CC)C(C)=O)SC1=Nc1cccc(O)c1 2314927638 IMPDAKYQJWXKCS-FQEVSTJZSA-N 436.533 4.929 30 10 IJEE C=CCNC(=O)Oc1ccc(CNC(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1 2318703706 DRFPLSAYVYVCRD-UHFFFAOYSA-N 442.515 4.870 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318829626 OIAYRMLQLIXDLA-PPJWLVRDSA-N 446.632 4.668 30 10 IJEE COc1ccc2[nH]cc(C=Nn3c(SCc4ccc(C(C)(C)C)cc4)nncc3=O)c2c1 2321647540 BYQXBTMBDKBUAS-UHFFFAOYSA-N 447.564 4.600 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3cccc(C)c3)c2)c1 2323178102 JLZNVDSEFRBZDL-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 2323306873 YRCRQCIJWFFOCC-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)NN=Cc1cc(Cl)c(OCC(C)C)c(Cl)c1 2323423600 LXJZPZQYXPDPFF-UHFFFAOYSA-N 445.368 4.658 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(OC)c2)cc1 2323843061 VMHPUKKULXPONZ-UHFFFAOYSA-N 437.536 4.818 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2325589448 DEHRJEACLJCXAW-UHFFFAOYSA-N 426.881 4.739 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(O)c1 2325951637 WMKKHZSVTADFEZ-UHFFFAOYSA-N 443.370 4.887 30 10 IJEE COc1ccc(Br)cc1C=Nn1c(C)nnc1SCc1cccc(C)c1 2326374860 QJPUZVSYTSSTCY-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccncc2)c1 2328604935 INRBLZNAIJGONY-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)cc1 2329258419 INYIUQXAIAWRTP-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2cccnc2)cc1 2330246154 IDGPXXNJJKXZPY-UHFFFAOYSA-N 448.596 4.717 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)NC1CCCCC1 2330854752 RBCNOGSLTPIRHY-UHFFFAOYSA-N 433.647 4.660 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2O)c1 2331042504 GBWCQIAUFXBZJT-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)c1 2331138082 LHRNOOSODIAMEL-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)cc1OC 2331208085 BHBKELFAEQCRDR-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2334262456 RVFYUQVOOALAQZ-DTUBNOLGSA-N 438.421 4.513 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582979 UAEVDWOTMVJDES-PSVMIJIFSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339596764 LNWBSBQNFFYDDM-JXOMPUQVSA-N 444.381 4.656 30 10 IJEE CC1CCC([C@@H](COc2cc(Br)cnc2C#N)NC(=O)OC(C)(C)C)CC1 2379817990 WEFNRQDBFGZSCS-MQBCKMQZSA-N 438.366 4.814 30 10 IJEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 9054371 FCVGKYNNSYFEOJ-GAISBVLPSA-N 428.891 4.617 30 10 IJEE C=CCSc1nnc2c(n1)O[C@@H](c1cccc(C)n1)Nc1ccc(Br)cc1-2 9601922 URLMVGNKUSXCOR-KRWDZBQOSA-N 442.342 4.786 30 10 IJEE N#Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1 11373485 ZRDWXXFHMOJBBQ-DEOSSOPVSA-N 438.487 4.516 30 10 IJEE C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C 19365699 KQWVAUSXZDRQPZ-VHSZZVNMSA-N 449.639 4.847 30 10 IJEE biogenic,in-vitro CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Cl)c1O 20881646 PNEGCQVKSACXBE-DOTOQJQBSA-N 425.912 4.757 30 10 IJEE COc1ccc(OC)c(/C=N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)c1 32694185 VLSIGSFYNWXKFN-QYOPUDTASA-N 431.536 4.572 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1 35514549 DDELBARWVKUKJC-QFIPXVFZSA-N 428.419 4.642 30 10 IJEE C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1 36316060 BIDCQNMQIKYHDG-QHCPKHFHSA-N 449.595 4.963 30 10 IJEE Cc1cc(Br)c2c(c1)/C(=C/C(=O)c1ccc(Br)s1)C(=O)N2 101010844 CPERZGWFENRBSO-TWGQIWQCSA-N 427.117 4.800 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1 103104528 VYDNCOOIQQCEHC-UGUGFTGJSA-N 446.478 4.631 30 10 IJEE C=CCN(C(=O)CCNC(=O)c1ccc(F)cc1Cl)c1nc(-c2ccccc2)cs1 107761631 IZBGJRSMIHKXMJ-UHFFFAOYSA-N 443.931 4.942 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccnc1 170006334 XKFSMFJZHXXWTR-NRFANRHFSA-N 448.862 4.555 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)cc1 170157822 DHTYPIJTXIOBQA-QFIPXVFZSA-N 447.512 4.865 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3ccccn3)ccc2O1 170173686 NIXNIUWJFYAOLE-PEBXRYMYSA-N 446.890 4.841 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)c1C 170225838 VUXMEQJWDMFPFD-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 170250813 CGWQPZZKLPPODF-QFIPXVFZSA-N 428.419 4.745 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)c(C)c1 170258378 NWSOUHSMZSAODT-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(CC)cc1 170268276 XMZUMSRNOPKPER-XMMPIXPASA-N 448.563 4.846 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1CCN(C)C 170276528 AOKLHQHZHZWNAG-NRFANRHFSA-N 438.911 4.535 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2ccco2)c1C 170285968 RMZVFYUWSLJTMQ-HSZRJFAPSA-N 444.487 4.508 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)o1 170306835 UTPGKKBFCOXGPA-QRWLVFNGSA-N 441.867 4.745 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccccc2C)cc1Cl 170397301 GGPGKERIYJHIRC-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2sccc2C)c1 170405095 LJVUBLYTJOEPSL-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE Cc1ccccc1CN(Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2nc(O)[nH]c2c1 440742304 SSOQZFGDGFQJGM-UHFFFAOYSA-N 436.475 4.705 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCc2[nH]c3ccccc3c2C1 460773096 JJIAJJVSDIQBCX-UHFFFAOYSA-N 427.552 4.692 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 471609923 DSUYTGNMXDWYGF-UHFFFAOYSA-N 432.490 4.857 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(O)c2)cc1OC 526518062 UVPUWIPUNZPFFO-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 526806389 FJKSGDCLFAOEEP-NHDPSOOVSA-N 431.905 4.721 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539355196 LPWWNBOORCCZQR-HXUWFJFHSA-N 436.493 4.656 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 549675293 GHNHNOIYBPIJFC-OAHLLOKOSA-N 446.395 4.852 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N4CCC(C)(C#N)CC4)n3C[C@@H]3CCCCO3)cc2C1 550030595 AKIFMYOBFRIQDO-HKUYNNGSSA-N 439.629 4.831 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](Cc2ccccc2)C1 581417274 POCCAXAQLFVYRK-DSITVLBTSA-N 444.579 4.547 30 10 IJEE N#Cc1cc(Nc2ccc(N3CCc4sccc4C3)nc2)nc2ccc([N+](=O)[O-])cc12 615488896 HEIVITQIRPSLCG-UHFFFAOYSA-N 428.477 4.777 30 10 IJEE Cc1ccc(C#N)c([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687748191 WPAOQJNVLDLGOR-XMMPIXPASA-N 426.472 4.921 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1csc(C#N)c1 687755086 HFAFHPBWIANPSU-XMMPIXPASA-N 432.501 4.848 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCCC 719443919 PFIMESACKBABDP-DLBZAZTESA-N 443.813 4.930 30 10 IJEE C=CCC1([C@H](Cc2c(F)ccc(Br)c2F)NC)CN(C(=O)OC(C)(C)C)C1 722920545 NQNLVSSUTBVMEO-INIZCTEOSA-N 445.348 4.671 30 10 IJEE COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C(=Nc3ccccc3)S2)cc1 725396043 UQQOPFHJNANYPT-QFIPXVFZSA-N 445.544 4.856 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C1C[C@H]2COC[C@@H](C1)C2=O)c1ccc(C)c(C)c1 739490207 TYSHEHCNXAWJIP-NOTZXAQLSA-N 433.548 4.643 30 10 IJEE N#CCOc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(I)cc2)c1 743104205 YTGSZSNRWLXMSN-GOSISDBHSA-N 447.276 4.563 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccsc1 790748722 VWCUNGBESWASJJ-KRWDZBQOSA-N 431.970 4.694 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1CC1CCCCC1 809921778 OYWXMVXGXSBVQA-QFIPXVFZSA-N 437.588 4.830 30 10 IJEE CO[C@@H]1CC[C@@H](N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)C1 1116748869 RWQJKCKUTHHDIY-NJDAHSKKSA-N 437.565 4.523 30 10 IJEE C#CCOc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1154541110 IAOXNCKVMBIAQR-UHFFFAOYSA-N 433.817 4.868 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1 1171835337 FXXLIIHLPIGPJQ-UHFFFAOYSA-N 425.935 4.901 30 10 IJEE C=CCN(C(=O)CN(C)[C@H]1CC[C@H]1OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1198667662 OZZZHGWWNSQBBJ-ZWKOTPCHSA-N 440.396 4.745 30 10 IJEE COc1cc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)ccc1OC1CCCC1 1208385539 HAKSXZNCYAHUOK-AWEZNQCLSA-N 434.945 4.581 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2nc(Cc3ccccc3Br)cs2)CC1 1216110834 SSOJATOXFYWWLW-UHFFFAOYSA-N 449.418 4.658 30 10 IJEE C[C@H]1CN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCN1CC(F)(F)F 1226074561 CQYHPFOINNMSBI-DLBZAZTESA-N 430.474 4.564 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccc(F)c(F)c1 1226647947 XWBRLSVWLRPFSE-GOSISDBHSA-N 441.309 4.816 30 10 IJEE C=CCC1(CNC(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CCCC1 1228269868 HPGJXRUCYBTRLK-UHFFFAOYSA-N 440.506 4.801 30 10 IJEE C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1277207422 BKGCPIXXNYHHOF-JTQLQIEISA-N 428.348 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CCCC1 1286293342 NWWBEVLDXUTMOL-VQTJNVASSA-N 443.636 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCC[C@H]1CC 1286436944 BSTBIGVKNMSJQZ-OAQYLSRUSA-N 430.600 4.526 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1scnc1C 1286450934 OMRDVTPTPGQKEN-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOC(C)(C)C 1286588367 RKRWHCYYPFBUIU-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1286605239 KGKXOLHDUKKWRN-HOTGVXAUSA-N 431.378 4.535 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)cc(F)c1 1286614207 OHFIETFCEOMMMJ-NHCUHLMSSA-N 448.558 4.704 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286696476 GCKKGLPTIIWJLI-UHFFFAOYSA-N 435.597 4.680 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(c2nc3ccccc3o2)CC1 1286710584 APHSRRZBIZKIJF-UHFFFAOYSA-N 437.588 4.985 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](CCC)OC)C1CC1 1286734898 IXMICQSCHXOKMG-SFHVURJKSA-N 433.394 4.986 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCCCCC2)nc1 1286755284 SJAURPIZQAYIIX-UHFFFAOYSA-N 443.599 4.651 30 10 IJEE C#CCN(C(=O)c1scc(C)c1I)[C@H]1CCCc2ccccc21 1289232256 AAGAUPBLDHMDNW-INIZCTEOSA-N 435.330 4.814 30 10 IJEE Cc1nn(C)c(C)c1Cn1c(-c2cc3ccccc3o2)nnc1N(CCC#N)CCC(C)C 1290552935 CJPAZIBLERYOMM-UHFFFAOYSA-N 445.571 4.856 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1293346680 CORRFDZGIFCGJE-PKOBYXMFSA-N 437.979 4.666 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cc(Cl)ccn1 1300353191 RHDQCSYAEPBFBF-UHFFFAOYSA-N 430.943 4.982 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)c2ccccc2)CC1 1300368497 XEEGLCKGVYIDBU-UHFFFAOYSA-N 448.640 4.543 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)N(CC)CC 1300443362 FCSFQAGFUCEGEA-QGZVFWFLSA-N 425.577 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OC)c1ccccc1 1300517088 XCVCTKFNWGMQKA-SIKLNZKXSA-N 444.604 4.592 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1CC1CCCCC1 1300668425 CKUOTJCFLYAESI-UHFFFAOYSA-N 425.602 4.899 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CC)C1 1300837486 POCRYLQQHFZFDB-CYBMUJFWSA-N 440.183 4.853 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1300980882 XHYIQOSSSPPHKC-NRFANRHFSA-N 449.599 4.540 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccsc2)CC1 1300993588 CMSSRUJKOGDKIT-UHFFFAOYSA-N 443.642 4.672 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1301019681 WRHSPWUSYHNSNZ-HXUWFJFHSA-N 436.991 4.596 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)C(C)C)CC1 1301105091 CTHAOZSYLNAFGY-CJFMBICVSA-N 426.605 4.844 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1301151066 IMBBTKOMZIGBNR-XLIONFOSSA-N 448.970 4.755 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@@H](C)C1 1301221732 NTABYOXJGMKEQA-WOJBJXKFSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC=C(Br)C1 1301231240 FIBDBWHAMMAZLC-UHFFFAOYSA-N 431.378 4.929 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC[C@@H]1CCCCO1 1301354795 JKCXYCDAGHASPO-QFIPXVFZSA-N 435.547 4.555 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1301379798 TXULBCHIYOIDGW-SFHVURJKSA-N 428.602 4.672 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1301438004 FVUNRGUIWZDCFB-OALUTQOASA-N 445.405 4.986 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1301594663 IIXVAHGSBBEUJN-QGZVFWFLSA-N 430.593 4.949 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCOCC1 1303909890 DKGMVHZPSDANDA-HXOBKFHXSA-N 443.979 4.628 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2Cl)nnc1-c1ccc(OC)cc1 1307251540 DMDNDOZYULELFN-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OC 1308314415 GMYLLLJAQFJMMQ-UHFFFAOYSA-N 431.341 4.550 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(F)cc(Cl)c1 1309137824 AQHGJPPWOUEEIX-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC2CCCC2)CC1 1316366671 CRAQQSPBBPBDJR-UHFFFAOYSA-N 439.629 4.886 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CCC1 1316403019 GGVCPEYNYBOACU-UHFFFAOYSA-N 435.519 4.881 30 10 IJEE C#CCCCC(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 1349917725 YKLMKNDDIBTDHZ-UHFFFAOYSA-N 431.399 4.625 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(C#Cc3cccs3)c2)CCCN1C(=O)OC(C)(C)C 1353550578 CHUAIOHOJOFWIN-RUZDIDTESA-N 434.561 4.879 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(OC)cc1F)c1ccc2c(c1)OCO2 1353965812 OZTBPBSRMPNMFZ-UHFFFAOYSA-N 435.451 4.975 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCCN1C(=O)OC(C)(C)C 1354220189 AAXKIGSOPADKKP-XMMPIXPASA-N 440.540 4.850 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)c2ccc(CC)cc2)c(C(=O)OCC)c1C 1355008318 LFNCYNAJRPYSBZ-AWEZNQCLSA-N 429.538 4.881 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1355291070 YLYLMIVURGKLQC-FQEVSTJZSA-N 430.495 4.788 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1358904408 DISCSOHSKLMJIZ-VLCRHTCISA-N 426.536 4.509 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCOc1ccccc1 1359157539 MITPXJLDBJAMNT-WOJBJXKFSA-N 432.996 4.855 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(OCCC)nc2)CC1 1359176874 QTHWZJCVRXFXMZ-UHFFFAOYSA-N 433.556 4.588 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1359199486 XNPJQXBSENZFES-UHFFFAOYSA-N 439.604 4.678 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359206939 UJTYOGOJBAFCPJ-HZPDHXFCSA-N 426.458 4.987 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2sccc2C1 1359209273 HMKKLZBNLLHPIU-UHFFFAOYSA-N 432.391 4.637 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1359234607 UUXOXWLQIBXXNW-HDICACEKSA-N 446.437 4.698 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[C@@H]2OC)C1 1359316098 IANDWVPEERCKRW-WWNPGLIZSA-N 438.616 4.839 30 10 IJEE CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 1359519274 DHNDZKPXQPHWLL-RBUKOAKNSA-N 427.643 4.538 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@H](O)C2)c1 1361122190 FHPDZXSKUCDYMQ-HKBOAZHASA-N 439.604 4.578 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F 1435506414 AQEGBZAXEFWQFH-GOSISDBHSA-N 435.268 4.732 30 10 IJEE C#CC[C@@]1(C(=O)N(C)c2nc3c(Cl)cccc3s2)CCCN1C(=O)OC(C)(C)C 1436147515 CSEKIHJSBRTFIE-NRFANRHFSA-N 433.961 4.706 30 10 IJEE CC1(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)CCN(c2ccc(Cl)cc2C#N)CC1 1439084619 GBDYIRZUSKZKDS-UHFFFAOYSA-N 428.323 4.987 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)cc21 1439758515 ZXLZBSZRLOVLFJ-UHFFFAOYSA-N 429.377 4.818 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3c(C)cc(C(F)(F)F)cc3C)ccc2c1=O 1455529986 RWZVFUIBESIDGP-UHFFFAOYSA-N 433.455 4.759 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 1461930770 AANKYCPHGWIBNX-ZDUSSCGKSA-N 425.381 4.939 30 10 IJEE C=CCC1(NC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)CCCCC1 1468531086 JCVNIIWIFFWIBD-UHFFFAOYSA-N 427.570 4.566 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)C1 1469920645 NMWNTAJIFQRLGF-OAHLLOKOSA-N 443.341 4.835 30 10 IJEE Cc1ccnc2c(S(=O)(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)cccc12 1475418343 HAKSUHTTXGBCAP-HNNXBMFYSA-N 433.455 4.665 30 10 IJEE C#CCCCCNC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1476315064 YVJVTKLCNXPNJM-UHFFFAOYSA-N 436.253 4.882 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](CO)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1478272666 OHFMMNGBUPJILB-RXVVDRJESA-N 436.474 4.797 30 10 IJEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 1497786725 AODRCKKNLKCKLJ-OAQYLSRUSA-N 447.505 4.537 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1507577319 QQUUPYJTXUUQSE-QFIPXVFZSA-N 449.643 4.848 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)=C(Br)C1 1507593912 WJUWBUPSHPMLPN-UHFFFAOYSA-N 443.389 4.766 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1507597036 SDVFFSFTMFXZIP-YMPZKCBVSA-N 436.600 4.613 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nc(C(F)(F)F)cs1 1507679621 YLUDOJXENXEQIE-UHFFFAOYSA-N 445.514 4.731 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCc1ncc(CC)s1 1507699087 BIXPUDCHYHPMQP-UHFFFAOYSA-N 425.577 4.616 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@@H](C)C1 1507704544 GIYDGVWJTXJVSZ-AEFFLSMTSA-N 445.405 4.538 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C2CCC1(C)CC2 1507748341 MRRUKKDPPLAZOS-UHFFFAOYSA-N 431.403 4.595 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C(C)C 1507809245 IUWBWMKMFGWULP-SLFFLAALSA-N 447.624 4.566 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCNC(=O)OC(C)(C)C 1507815294 ASEYAJRWPBYSQG-UHFFFAOYSA-N 433.984 4.916 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CSCCS2)CC1 1507891998 ILPIRRGKRVAFRT-QGZVFWFLSA-N 448.683 4.584 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2CC[C@@H](OC)C(F)(F)F)CC1 1507900816 VSCZDSJUDVCYDY-LJQANCHMSA-N 445.489 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCNC(=O)C(C)C 1507910768 ABUCWVQBKFHOPW-UHFFFAOYSA-N 435.975 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1507918328 AQTRAIDZDIBCFH-QFIPXVFZSA-N 449.643 4.655 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(Cc3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)C 1507921398 UOYOVTGOVVCRGM-UHFFFAOYSA-N 443.611 4.648 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 1507924807 UACYPOAFEWSPIA-RBBKRZOGSA-N 447.583 4.707 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1c(C)noc1C 1507927967 ARSCOMYOHNEMMO-UHFFFAOYSA-N 437.544 4.552 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507934724 GIMKSIGBATXCAG-RTBURBONSA-N 428.581 4.766 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@@H](F)c1ccc(Br)cc1 1508019360 DKCCZAFAVNSHND-QZTJIDSGSA-N 435.341 4.781 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@](C)(OC)C2CC2)C1 1508119719 XLYMWBBDXXMQSW-BKMJKUGQSA-N 438.616 4.839 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1515203492 DVPYYRYORZVLMB-DEOSSOPVSA-N 444.583 4.548 30 10 IJEE CCCc1c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cnn1-c1cccc(C)c1 1521678187 CUPNPRCNIGQOCJ-UHFFFAOYSA-N 428.471 4.582 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1cnc(OC)nc1)c1ccc(C)c(C)c1 1523054308 NNGMCTOGNSAASB-QBFSEMIESA-N 429.520 4.913 30 10 IJEE C#CCSc1ccc(COC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 1523211283 XKFSOHVNSTYPOQ-UHFFFAOYSA-N 435.402 4.508 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)cc1 1525586228 QCWDLEKDXJABKU-UHFFFAOYSA-N 449.576 4.788 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N(Cc3ccc(F)cc3Cl)CC3CC3)C2)c(F)c1 1525632339 IFJBBXDXOOMCRT-GOSISDBHSA-N 429.898 4.755 30 10 IJEE CC(=O)c1sc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)nc1-c1ccccc1 1525782317 AWWMTNLCPOEDIG-INIZCTEOSA-N 442.541 4.538 30 10 IJEE CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1526132702 IFERZNNVLKIPHN-KRWDZBQOSA-N 430.335 4.655 30 10 IJEE C=CCCSCCNC(=O)c1cc(I)c(Cl)cc1Cl 1527934216 WFIPXHDGOAEIDB-UHFFFAOYSA-N 430.138 4.637 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)c1ccc(Cl)cc1F 1528109357 QUKMVRIGBDNQMB-HXUWFJFHSA-N 432.886 4.841 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)cc1 1529312287 HHDBDKBLTYKFMD-IBGZPJMESA-N 448.441 4.922 30 10 IJEE CCN(C(=O)[C@H](C)Oc1ccc(F)cc1Br)c1ccc(C#N)c(Cl)c1 1535604929 HCADHDSRXGYCOF-NSHDSACASA-N 425.685 4.934 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1 1536762738 NIZIBECSRMFCST-UHFFFAOYSA-N 432.259 4.929 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccccc2OCCC(C)C)CCCN1C(=O)OC(C)(C)C 1537099711 XVWCGQJWEIPSOL-RUZDIDTESA-N 428.573 4.521 30 10 IJEE CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1538235099 BIUBGOTVAQDJKC-JXQFQVJHSA-N 432.568 4.623 30 10 IJEE CCCc1noc2nc(CC)cc(C(=O)OCc3cc(Br)cc(C#N)c3)c12 1538646857 IFBYUYMSVFJJDY-UHFFFAOYSA-N 428.286 4.729 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1cccc(F)c1 1538984111 BIDGXLQMENHGAX-QGZVFWFLSA-N 438.572 4.952 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C)(C)CC1 1539068607 YHELVSDOYIUXNA-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ncc(CC)s1 1539116370 NKHMLUWAJMSSMX-UHFFFAOYSA-N 432.553 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(OC)CCCC1 1539539055 OFWGMUOFXOQTPY-PXDATVDWSA-N 436.600 4.986 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1539775811 PQPFRPXZFKWSRF-HTAPYJJXSA-N 449.020 4.903 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539911065 VKJGEGAXHCLECH-OAQYLSRUSA-N 429.572 4.666 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(CN(C)CC)c1)C1CC1 1540102592 ZSMFODKUXMJZKQ-UHFFFAOYSA-N 436.991 4.648 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CC(F)(F)Br 1540119357 CARSFVOUJHSQAF-CQSZACIVSA-N 438.320 4.844 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CC=C(C(F)(F)F)CC1 1540919359 OSBPEXJQMOZLSF-UHFFFAOYSA-N 447.530 4.899 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1)C1CCCC1 1541546228 FQTMMXLZWXIICQ-FQEVSTJZSA-N 439.629 4.887 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)CCCN1C(=O)OC(C)(C)C 1543879835 IIMHWSDIEYOKGB-KBMIEXCESA-N 427.589 4.810 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N)c1ccco1 1547436521 DPXGJANUPXGTJY-FXAWDEMLSA-N 440.979 4.870 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 1557910123 LTWWSTPNPDQONH-XZOQPEGZSA-N 443.632 4.797 30 10 IJEE C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c1C 1559381891 KIECHPXBBSPEDL-UHFFFAOYSA-N 429.549 4.909 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)C(=O)OCC 1569184239 MFAHBSLJBJKXLX-HXUWFJFHSA-N 440.565 4.507 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](C)[C@@H](C)C1 1586813952 ZNWRHJMTHCLCCQ-MHPIHPPYSA-N 432.564 4.974 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](c1cccnc1)C(C)C 1587663224 VCICCOHVRLUULM-NFBKMPQASA-N 426.568 4.574 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1587798095 BPWJNRSIHPBHBZ-WOJBJXKFSA-N 448.489 4.530 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(Cl)cc1OC 1587932396 RMOICJSMMBPLIX-HNNXBMFYSA-N 441.000 4.911 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)c1ccc(F)cc1 1589178186 UWXTYVPDORPSLZ-WMZHIEFXSA-N 439.922 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC1(COC)CCCCC1 1589243300 ZUXACTYBXODQCR-RUZDIDTESA-N 436.600 4.755 30 10 IJEE C=CCCC[C@@H](NC(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1589390870 UJOIULIOTNWTSI-NLFFAJNJSA-N 441.572 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1589651976 LGJUKBYHEQQWLP-JOCHJYFZSA-N 436.648 4.549 30 10 IJEE C=C(C)Cn1c(N2CC[C@H](c3ccccc3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593682771 BNSAMFISXVHMRO-PCCBWWKXSA-N 437.588 4.619 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccsc1 1593703107 DCFHNVRMXPZGGZ-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc2ccccc2o1 1594448643 KSMZBOUHNIGJME-UHFFFAOYSA-N 444.539 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1594503904 AGKLZYQZEQAHQY-UHFFFAOYSA-N 441.620 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2ccccc2)CC1 1594504579 XOQOUEZFVSHINA-UHFFFAOYSA-N 430.600 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1594520992 IXLPDTPZKAKRJP-JOCHJYFZSA-N 437.632 4.567 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1sccc1Br 1594972622 VILKIPGSVYBOEZ-UHFFFAOYSA-N 439.329 4.642 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@](C)(CC)O1 1595133761 MHOVOJQXYAUFNH-GJZUVCINSA-N 449.574 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccccc1 1595140913 AICXMQCPNLSJMO-XMMPIXPASA-N 438.597 4.621 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCOC[C@H]1C 1595149459 ONVUZHOMANEWOF-RTBURBONSA-N 438.597 4.880 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2CCC(OC)CC2)C1 1595705766 DUXCQPNJMZFOLP-ACBHZAAOSA-N 430.980 4.585 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3)o2)cc1 1596260790 FGFBPRWYLFRQIV-KRWDZBQOSA-N 439.874 4.531 30 10 IJEE CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1602714700 HCNRMHZBRBNOAT-POGFHVCPSA-N 434.632 4.832 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1)Cc1ccccc1 1617791937 NRGHXTFEPLKXIE-MHZLTWQESA-N 437.543 4.508 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1623825555 JQOPGZDKRRTBRX-NQIIRXRSSA-N 444.934 4.796 30 10 IJEE C#Cc1ccc(NC(=O)NCC2(c3cccc(Br)c3)CCOCC2)c(Cl)c1 1627810416 BORDWJLTSVFJSI-UHFFFAOYSA-N 447.760 4.954 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 1627864517 PZTFSUNDPYFVKR-INIZCTEOSA-N 446.897 4.889 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccc(Br)cc1 1629624815 NIWSZUSYDUFZBX-QFIPXVFZSA-N 440.385 4.609 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCc2cc(OC)c(OC)cc21 1636779880 VLPCEZJYWZNOIW-VQTJNVASSA-N 446.588 4.837 30 10 IJEE C=CCOc1ccc(-c2nnc(SCC[C@H]3Sc4ccccc4NC3=O)o2)cc1 1640985217 BRLUHVWLXIIQKZ-GOSISDBHSA-N 425.535 4.897 30 10 IJEE C=CCn1c(Sc2cc(Cl)nnc2O)nc2sc(-c3ccccc3)c(C)c2c1=O 1642012914 UWMYYOSBADYHRB-UHFFFAOYSA-N 442.953 4.920 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]2(C)Cc2ccc(Cl)c(F)c2)c1 1648883646 CJVWWCZVZLJBCP-QHCPKHFHSA-N 447.959 4.514 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(CCC)[C@H](C)c2ccccc2Br)c1 1653172883 SBYFCJSDXVSDDM-MRXNPFEDSA-N 442.357 4.552 30 10 IJEE Cc1cccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1C#N 1654518967 FRAOJTUZBNEBNN-CYBMUJFWSA-N 431.970 4.992 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(c3ccc(Cl)cc3)CC2(C)C)c1C 1654574786 CVWAIAKFYCEDOH-UHFFFAOYSA-N 439.003 4.804 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1OC 1657188916 HYHPDTODBWJOTI-UHFFFAOYSA-N 432.923 4.903 30 10 IJEE Cc1cc(F)ccc1N(CCc1c(C)nc2sccn2c1=O)Cc1ccc(C#N)cc1 1657660828 FLKXJAZGBGFNSF-UHFFFAOYSA-N 432.524 4.633 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2c(c1)CCCO2 1667057430 FWQMDFRYJNASLC-UHFFFAOYSA-N 436.508 4.726 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc(OC)c1OC 1667417836 JSLOJMKLPMIZRG-UHFFFAOYSA-N 444.491 4.813 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccc(Cl)cc1F 1668247081 VVAAEXFRAVOLPA-QGZVFWFLSA-N 428.254 4.686 30 10 IJEE Cc1ccccc1COc1cccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)c1 1668450332 ARHJYJYNXZRFMY-UHFFFAOYSA-N 432.549 4.861 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1669029892 FGNMQVKDGZKAOP-LJQANCHMSA-N 433.474 4.952 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1669191782 MQJAJZSRRCHMIW-BDTNDASRSA-N 442.604 4.768 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1669509120 GLHCCUKKJPWWLM-UHFFFAOYSA-N 431.414 4.873 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)cc1 1673441713 WERXKVNYNMMRCV-OAHLLOKOSA-N 443.935 4.517 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1676972854 DPZWWBZNUWVSTF-UHFFFAOYSA-N 428.532 4.984 30 10 IJEE C#C[C@@H](NC(=O)NCC1(CCOCc2ccccc2)CC1)c1ccc(Br)cc1 1681621098 UOVOPIYRJODTFT-OAQYLSRUSA-N 441.369 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)ccc1F 1689836147 ZDBUFQTXCFVKBW-CABCVRRESA-N 426.536 4.916 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCc1cccc(C)n1 1689843366 URUXNCJAUNJGNV-QGZVFWFLSA-N 438.373 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccco1)N(CC)CC 1689844919 LEQWBABKJAZECN-XXBNENTESA-N 444.583 4.571 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1689940137 ORERAEAGBNZLDK-OXJNMPFZSA-N 431.005 4.641 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1690284529 GJOVMOPZCYROTL-JTHBVZDNSA-N 430.600 4.714 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)C)CC1 1690328111 FFDJNXZCEKUQGF-MRXNPFEDSA-N 438.403 4.791 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690369607 QVBBREFXZBHCMQ-ACDBMABISA-N 440.588 4.712 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1690384323 NGPUFCXRRZQIKN-AUSIDOKSSA-N 442.629 4.797 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cnn(CC)c2)CC1 1690398717 FJXPNTCNTFPKAK-FQEVSTJZSA-N 434.588 4.702 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)CN(C)C)CC1 1690402862 SIUYUIJDTNZZDP-UHFFFAOYSA-N 433.547 4.537 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690472909 YTZZUUXRPOVXCH-MSOLQXFVSA-N 440.979 4.765 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690563556 WHDZIZZUOYLKTK-FSSWDIPSSA-N 439.648 4.872 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c[nH]c3ccccc23)n1CC(F)(F)F 1690609693 XIKSSBNFCFIVDJ-UHFFFAOYSA-N 429.446 4.741 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1690636217 MSCHYLLKEVTMJQ-WBVHZDCISA-N 431.378 4.919 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1Cc1ccccc1 1705525698 RPFKWBSTNWBWHD-IBGZPJMESA-N 438.373 4.661 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705526423 JWHWVCNOMWXZGE-IBGZPJMESA-N 439.922 4.594 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(CC1CC1)C1CCC1 1705653175 AVZFEWOMJHLFKD-UHFFFAOYSA-N 445.430 4.843 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1705680651 DTVDUGITSCCRKJ-UHFFFAOYSA-N 435.210 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC1(C)C 1705693898 LWDJLCPKXOHAMG-FPOVZHCZSA-N 437.588 4.507 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C(C)C 1705695588 IXQZKZSYGCJFKB-WIYYLYMNSA-N 441.963 4.983 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1 1705696714 IGTMNAJJDVNTPZ-PZJWPPBQSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1nc2ccccc2s1 1705703488 UVKUXFNLRWRBIY-VGOFRKELSA-N 425.602 4.704 30 10 IJEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1705725631 LNANZJFHRWYBBY-VQIMIIECSA-N 439.585 4.891 30 10 IJEE C=CC1CCN(c2nnc(C(C)C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1705781433 ZJQKRJORLQHGLN-LJQANCHMSA-N 429.609 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H]1CCCOC1 1705786159 HSBBVHIPXYBFTN-IBGZPJMESA-N 434.588 4.800 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2[nH]c3ccccc3c2CC1 1705799944 KSUKIFLBNIMIJO-UHFFFAOYSA-N 448.615 4.639 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705803468 RKJOUBSHFHSZRE-OAQYLSRUSA-N 446.599 4.591 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1705825608 XZBZTLIAEYCNOY-LJQANCHMSA-N 441.595 4.555 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CC1(OC)CCCCC1 1705865137 RTACFGAUMAVHIM-NRFANRHFSA-N 442.579 4.853 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN1C1CCCCC1 1705875079 HBQXSNVTWNRSCN-QHCPKHFHSA-N 437.607 4.984 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)CC1 1709875514 CSAHOMPOVGVRRT-UNMCSNQZSA-N 439.629 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1722301791 NNINLHOSQBQQGZ-DHLKQENFSA-N 433.644 4.771 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1722320658 GGZGQXCZTSUCAT-HXUWFJFHSA-N 433.021 4.892 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1722336923 SFWRREDGTCJTHO-RTWAWAEBSA-N 426.992 4.579 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C 1722511345 YGJMNSJAGAEICT-DENIHFKCSA-N 447.023 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1N(C)CCCC1(C)C 1722516331 XPBNZFLPGMKUPL-HSZRJFAPSA-N 439.648 4.595 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cnc2ccccc21 1722516626 BWGKQPSMEMFSDP-DENIHFKCSA-N 436.604 4.649 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccnc(SC)c2)CC1 1722563915 CCSPSDAMTGCUQC-QGZVFWFLSA-N 439.560 4.879 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](F)COC 1722663217 WXDWCSIHOMJDCF-INIZCTEOSA-N 425.533 4.665 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCc1cccc(C)n1 1722673373 PTWLGMFQPCUIHA-XMMPIXPASA-N 431.584 4.701 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC2(CCC2)C[C@H]1CC 1722695569 IFIILKHWCCAQPR-MRXNPFEDSA-N 448.398 4.713 30 10 IJEE CCc1nc(C)c(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)o1 1727449265 BXVYCHWWFATBCQ-NLFFAJNJSA-N 432.572 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCN1CCCC 1740533718 CRYLEQCVKPZIPI-ACRUOGEOSA-N 441.595 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN(C)c1ccccc1 1740563795 XCENLZSKAWRKGS-YMPZKCBVSA-N 437.632 4.571 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@](F)(C#N)C1 1740565963 AKGUFARGDQIGKM-JPYJTQIMSA-N 443.954 4.934 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1740717240 MYIFFGDVECYUTK-JOCHJYFZSA-N 435.641 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1(CCOCC)CC1 1740733931 OWFJSVIEYBUFEH-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1740741220 HGRMJMHPXGVHIN-FUHWJXTLSA-N 426.362 4.575 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1740783313 DLHHALCQSDLEMM-QFIPXVFZSA-N 436.556 4.829 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCCOCC1 1740788975 AORJHHVXXXMYEQ-UHFFFAOYSA-N 442.560 4.632 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2CCN(CC)CC2)CC1 1740842354 WNEADAQWXIETRY-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740868286 IEOXITGCWXBSEI-GCJKJVERSA-N 428.552 4.919 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1740875928 ACPZGZWQTOGDBO-UEXGIBASSA-N 428.602 4.867 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)CCC(F)(F)F 1740888880 JZOCXABATQATBT-UHFFFAOYSA-N 447.299 4.689 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)OC 1740920636 SLOZBZCGXNAKHN-FBBABVLZSA-N 430.568 4.563 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCc1cccnc1 1740925039 IUGJFSJPQDXPBZ-UHFFFAOYSA-N 442.336 4.663 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccsc1 1740932690 UCTLTVQQVJBWJR-IBGZPJMESA-N 443.617 4.681 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(F)(F)F 1740935563 PSMSDBVIRCMVSO-UHFFFAOYSA-N 432.494 4.502 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1CC(C)(C)c1cccs1 1747706285 ARXVKBCPIJBRJT-UHFFFAOYSA-N 442.592 4.811 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OCC)C1 1748708945 LPJIYYUORMKZBF-QGZVFWFLSA-N 431.378 4.516 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(CC)(CC)OC 1748775372 KBUBLUYDMZAYFQ-UHFFFAOYSA-N 439.785 4.636 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1748935984 ISMKWOVAACOOEP-RCZVLFRGSA-N 447.652 4.667 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H](C)C1CCC1 1749134012 SYBBEGNPIAGINC-NBCNXNJRSA-N 429.634 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1749144162 SMQHXMTUQULVRZ-GMAHTHKFSA-N 425.621 4.576 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(SCC)c2)CC1 1749292683 ULINICHTOZEJBJ-DEOSSOPVSA-N 442.629 4.635 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1749298746 HMSIGOFJCRYHEF-UHFFFAOYSA-N 435.572 4.676 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)[C@H](C)CCC)CC1 1749336399 ZVTLNMAUKPCUQR-QGZVFWFLSA-N 429.996 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749376216 RGOWBXFWXDDIFW-YADHBBJMSA-N 438.616 4.939 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749398439 HFSDGUWEZNVAMJ-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1749449169 JRKPLZIKYJALSN-SFHVURJKSA-N 448.970 4.583 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1749474319 PTLRNQCSSBDZPY-MRXNPFEDSA-N 441.963 4.512 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@H](c1c(F)cccc1F)N(C)C)C1CC1 1749525032 FGEMKJPWYSBJNR-HXUWFJFHSA-N 443.567 4.666 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(OC)C1CC1 1749548664 HALHJZMKGYBQNH-DEOSSOPVSA-N 433.581 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)C 1749578892 HQOMHEMCMBMXJC-NBGIEHNGSA-N 433.600 4.980 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(SC)CCC2)C1 1749697468 KQMLWCCGIMUSIE-ROUUACIJSA-N 446.592 4.624 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 1752117691 FRGKSRJQQVGWGW-XXBNENTESA-N 449.555 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC=CO1 1760289107 MFLDWGTWRCPVGN-HCLVMJGWSA-N 426.948 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1760323513 DAOHCEFQUPXSGQ-VLHNPEIBSA-N 430.637 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCN1C1CC1 1760330037 QKKPMIQYWFVGFO-CTNGQTDRSA-N 441.595 4.977 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CN(C)CCC)C1 1760512616 VGKBVWFXLSSXHA-HXUWFJFHSA-N 425.621 4.509 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@H](OC)[C@H](C)CC)C1 1760538788 WJNWYIYTDFHFDK-FPGHNAPASA-N 449.599 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H](C)c2ccccc2)C1 1760546874 XYYVHOFOIWPHII-XMSQKQJNSA-N 437.613 4.609 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](COC)C1 1760560715 CRVDURWCQVNXCT-DLBZAZTESA-N 432.659 4.523 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(C)CCCS1 1768987010 DWRGKKJNBGLKGJ-IERDGZPVSA-N 431.631 4.603 30 10 IJEE CSC1(Cn2c(-c3ccc(COc4ccccc4)o3)nnc2N(C)C[C@@H](C)C#N)CC1 1771409339 GQTOATXICJEWHM-KRWDZBQOSA-N 437.569 4.609 30 10 IJEE CCCCC(=O)Nc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 1860137225 WTDONDAOZGLHAF-OAHLLOKOSA-N 425.554 4.891 30 10 IJEE CCCCCCCCCNC(=O)CCC(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1 1860366168 CXRZVJXMPRAEFU-UHFFFAOYSA-N 427.589 4.708 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)[C@H](C)CC 1860944347 SSTPHNGMQUGPER-WZONZLPQSA-N 444.595 4.847 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861189506 CJHAZDCVGOPJNV-GGAORHGYSA-N 447.639 4.799 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861192079 BKLPMUQVHBVEOZ-ATIYNZHBSA-N 447.639 4.799 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C(C)C 1861840482 RTKWWOVSHXLEDB-QHCPKHFHSA-N 432.605 4.552 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)cc2)cc1C 1862401202 VYORYTDAJSQKAT-UYGSHGSRSA-N 435.520 4.866 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862413376 AXWFEQVBOZCKDW-FQEVSTJZSA-N 443.446 4.986 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)c(OCC)c1 1862419076 QIOHGTXQJFDFGS-NRFANRHFSA-N 445.462 4.838 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862474887 XSMTXIOBCPJXIM-XMMPIXPASA-N 427.500 4.912 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862480520 IOOPXORNJWROBO-NRFANRHFSA-N 444.934 4.708 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)c(O)c2)c1 1862489530 XHFROUYZCFDRHI-QUZZAMIASA-N 435.520 4.872 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2c(c1)CCCN2C 1862552684 BNEWAZAEYCABGD-RUZDIDTESA-N 444.575 4.935 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccccc2)c1 1862555251 SVNHQNFTRAJEQA-XMMPIXPASA-N 426.516 4.870 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862676768 QPRCTINPRXYYPD-XWRIVVANSA-N 438.455 4.891 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1 1862680613 GNRBANHGALCLJD-XIKOKIGWSA-N 432.289 4.965 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862688327 UVVSRVSRERQSHM-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)O)cc1 1862715701 YONXKMDFUQUDSX-JOCHJYFZSA-N 429.472 4.916 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc(C)c2)cc1 1862746621 HNOHRUHWRPSOLN-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccc(N3CCCC3)cc2)C1=O 1863107394 MFIIADLVLIRZJJ-UHFFFAOYSA-N 440.528 4.617 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OC(C)C)c2)=C(c2cccc3ccccc23)C1=O 1863225119 WAOVXQIXESABMG-UHFFFAOYSA-N 440.499 4.783 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2Cl)=C(c2ccc(F)c(C)c2)C1=O 1863466701 OBKBIODGLFXGOW-UHFFFAOYSA-N 449.707 4.928 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2c(F)cccc2Cl)cc1 1867929032 SUJBPBLSNGFPIM-VXKWHMMOSA-N 449.913 4.510 30 10 IJEE CC(C)c1ccccc1OCCCC(=O)Nc1c(C#N)nnn1Cc1cccc(Cl)c1 1870111432 NIPSCXRKBFDZHQ-UHFFFAOYSA-N 437.931 4.773 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(=O)cc1CN(CC)CCCC 1870713282 YYRCMICOLHSVGZ-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cc(C)ccc2C)cc1=O 1871006465 HXVQCWJMALDRGV-UHFFFAOYSA-N 425.532 4.813 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871370079 DWNYCYJJOPDMSU-NDENLUEZSA-N 436.485 4.974 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)COc4ccc(C)cc4)cc(C)c3C2=O)c1 1871370203 UMLJSCKXHUNWBK-QRVIBDJDSA-N 430.456 4.913 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871427123 OVYPOYORRVTXED-HMAPJEAMSA-N 440.492 4.741 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCC 1871805601 CCFWOSGNJZSCNM-SFHVURJKSA-N 434.524 4.677 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872061708 UOZSUPNQGYQJKS-JOCHJYFZSA-N 432.561 4.591 30 10 IJEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 1872761617 RJUCJOAUIKSOEQ-INIZCTEOSA-N 436.449 4.987 30 10 IJEE CCCOc1cccc(/C=N/n2c(COc3ccccc3OC)nnc2SCC)c1 1874288382 BZIBDKKHKYHRMS-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CCc2ccccc2C)nnc1SCCCO 1874363639 PDKCJTSVEFPFFK-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874402179 LTAYYIJMGHVWEN-PCLIKHOPSA-N 444.520 4.541 30 10 IJEE CCCSc1nnc(CC(C)(C)C)n1/N=C/c1cc(Br)cc(OC)c1O 1874439961 CAOOZAXGAFAORD-RGVLZGJSSA-N 441.395 4.728 30 10 IJEE Cn1cc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)c2ccccc21 1874493280 DMSUYHZEFYRVHZ-AFUMVMLFSA-N 444.564 4.650 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CC2)c1 1874516142 INICOVJGSCYQKN-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(Cl)cccc2Cl)c1 1874529988 LXIBYXZNJLOSSE-LSHDLFTRSA-N 434.352 4.815 30 10 IJEE Cc1ccccc1OCCCc1nnc(S)n1/N=C/c1ccc(Br)cc1 1874567047 BQMHNJKWYVXCJU-FYJGNVAPSA-N 431.359 4.532 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCc3cccc(OC)c3)n21 1875037456 AHLWRQSNOHWFSY-SFHVURJKSA-N 430.618 4.781 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 1891403577 SUAIRGNIQPOXKJ-QHCPKHFHSA-N 429.545 4.857 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 1922097555 AYLYXFRRYOVVDX-VAMGGRTRSA-N 442.522 4.783 30 10 IJEE C#CCN(C[C@@H](NCCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 1926710591 LGPVIILCTRRDIM-QGZVFWFLSA-N 427.358 4.808 30 10 IJEE C=C(C[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)OC 2004194712 RRWBCLONNWTIFK-WIOPSUGQSA-N 432.605 4.749 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@@H](O)CC#C[Si](C)(C)C)CCN(Cc2ccccc2)CC1 2014163509 WFUXMODQFQWPLR-QFIPXVFZSA-N 444.692 4.568 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037435413 DEBCGWLWKWELAB-NVQXNPDNSA-N 439.600 4.741 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2110499958 FLQWGKCPXWVBGV-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2118195679 YHNBFAPDFXPZMF-MLGOLLRUSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3cc(Br)cc(F)c3C#N)C[C@@H]21 2174813124 SFENCBGZCFKFJA-ISTRZQFTSA-N 438.341 4.589 30 10 IJEE CC1(C)CC([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(Br)ccc2C#N)C1 2181113801 CRUREANEXKNACZ-INIZCTEOSA-N 436.350 4.589 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2235718660 DQKZKVDRROBEGU-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2235731723 XSSGYNAHTPQKFT-FOIQADDNSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)c1 2255623010 ICVJJJCFTSYANE-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CN(Cc1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1)C(=O)OC(C)(C)C 2255653793 NYFWJMMENDDSNO-UHFFFAOYSA-N 430.354 4.618 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267114038 CHCUTHTWBGOJMT-HDICACEKSA-N 444.381 4.565 30 10 IJEE CC(C)c1ccc(NC(=O)OC(C)(C)C)c(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)c1 2268714208 HNXKYGGHSNOXKC-UHFFFAOYSA-N 442.365 4.522 30 10 IJEE COc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1I 2280501415 UCPXXGXBLXSTKI-UHFFFAOYSA-N 447.045 4.817 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@]2(C)CCOCc2ccccc2)c1 2282680966 BPYVLLOINXSNPU-MHZLTWQESA-N 449.400 4.506 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3cccc(OCc4ccccc4)c3)c(O)c2)OC1(C)C 2282806538 MUKQIQLRHOJJAG-UHFFFAOYSA-N 445.324 4.523 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2cccc(Br)c2)CC(C2CCC2)C1 2296231277 BSVWIPXGAXJCKQ-IMYXXEESSA-N 434.374 4.635 30 10 IJEE Cc1ccc(C=Cc2nc(C#N)c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)o2)cc1 2296746617 CLCJQWZEVXMUNW-UHFFFAOYSA-N 432.911 4.641 30 10 IJEE CCCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 2297744849 OBCWFDNHJFCPBY-DEOSSOPVSA-N 442.515 4.882 30 10 IJEE Cc1nnc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)s1 2297747385 UZSQVNBYKVYNJN-QGZVFWFLSA-N 425.535 4.658 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300752588 MBPPJNOEQAFVAY-RCZVLFRGSA-N 440.609 4.532 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)cn1 2317213107 BUQLPXNWJYBDAI-UHFFFAOYSA-N 446.744 4.520 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317349568 FJGHWFCFNDFLFD-ROUUACIJSA-N 427.354 4.619 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 2318788721 QHOCKQBJGFUBPL-UHFFFAOYSA-N 429.516 4.972 30 10 IJEE CCCOc1ccccc1C=Nn1c(C)nnc1SCC(=O)Nc1cccc(C)c1C 2321079926 HXRRVASPAYGREQ-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2c1ccc1c2CN(C2CCCC2)CO1 2322015972 HHLGTYPQAAAQLK-UHFFFAOYSA-N 439.895 4.917 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)ccc3C2=O)cc1 2323259781 HDFBETZDTGMUQK-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 2324023732 QHJRDCQMSYACMZ-UHFFFAOYSA-N 427.453 4.862 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2324983611 WAPSITUDCBLRRD-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O 2325027759 QYTUETDUYNBLHI-UHFFFAOYSA-N 440.492 4.822 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(OC)cc1OC)C2=O 2325079519 NETFWRPCBQQUML-LJQANCHMSA-N 440.492 4.739 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccccc1F 2325894245 KXEQHMVLFNXWFU-UHFFFAOYSA-N 442.560 4.994 30 10 IJEE CCOc1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SCC)cc1OC 2328729919 NCPDEBWOXPHWHH-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329857875 PISYXQNBCQDZPO-UHFFFAOYSA-N 432.908 4.536 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccncc1 2330639943 YQCIRWDWZXXENA-UHFFFAOYSA-N 442.548 4.516 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)ccc1O 2331138326 MQNIRDBKQQWYTQ-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1N=Cc1ccccc1Cl)NC1CCCCC1 2331212070 YSTGZRGLLSEONM-UHFFFAOYSA-N 443.960 4.615 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccccc1F 2331319438 SNXLRGKEBSEQOS-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(C)cc1 2331344289 CIPWRKPNWGQYRV-UHFFFAOYSA-N 432.553 4.752 30 10 IJEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1OC 2331432768 WNMIZQQKGKYIBV-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331460175 VBRHCFFAAOGOBN-UHFFFAOYSA-N 431.416 4.599 30 10 IJEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)cc2)cc1Cl 2331809681 FHEZYJNWLOYXIU-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c([N+](=O)[O-])c2)c2ccccc12 2331869499 UYEJHBUMPKUCSB-XMMPIXPASA-N 447.443 4.737 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(OC2CC2)c1 2337564630 ASOHZHRWSCIPOZ-ZWKOTPCHSA-N 425.367 4.720 30 10 IJEE CCN[C@H](C#Cc1nccs1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2338240157 SKCVKGYNCSNINV-MRXNPFEDSA-N 436.375 4.955 30 10 IJEE CCC1(NC(=O)OC(C)(C)C)CC(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339545479 WVFCAUSHBQHNGA-UHFFFAOYSA-N 443.397 4.974 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)C#Cc3ccc(Br)cc3)C[C@@H]21 2360195182 ZDEQGHCJFLPYCM-MSQSPTIYSA-N 430.342 4.548 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Br)cc(COC)c2)C1 2362290495 JMQLHTKQIICYND-SFHVURJKSA-N 439.394 4.860 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(Br)c(F)cc2F)OC1(C)C 2364849449 RRIOZCHWYPJCPX-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE Cc1cc(CN2[C@H]3CCC[C@H]2CN(Cc2ccccc2)C3)cc(B2OC(C)(C)C(C)(C)O2)c1 2369728361 SMUPIYICBVHRLO-UIOOFZCWSA-N 446.444 4.533 30 10 IJEE CC1(C)OB(c2ccc(COC[C@@](C)(F)C(C)(C)F)cc2Br)OC1(C)C 2381657691 AZWSQNUELYIVEX-LJQANCHMSA-N 433.142 4.741 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(C)o3)n2)cc1 20834923 ZRUWCCLCJFAVQE-CYGNYLSHSA-N 426.546 4.787 30 10 IJEE Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 26843034 FDJBWYRLJRQLFT-CYBMUJFWSA-N 437.546 4.724 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccc(OC)cc2)c(C)n1 32972947 SLABFBGCRDXNOW-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(CC)cc2)c1 35279580 XODKIMDXPLYHOI-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE Cc1c(/N=N/c2ccc(Br)cc2)c(O)n([C@H](C)c2cccnc2)c(=O)c1C#N 39870451 SELGJAPSDNWOEN-YSMKLKLISA-N 438.285 4.916 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)cc1 54559760 ULHUGCMKOHTPGG-JOCHJYFZSA-N 434.492 4.806 30 10 IJEE C=CCNC(=O)CCSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 59809110 WUODQGXGLYWYPY-UHFFFAOYSA-N 443.576 4.817 30 10 IJEE CCOc1ccccc1/C=C1/Oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2C1=O 103022326 YFUKHFVAVWGKQM-FOKLQQMPSA-N 430.412 4.649 30 10 IJEE CCCOc1ccc([C@@H]2NC(=S)N(CCC)C3=C2C(=O)CCC3)cc1Br 169930037 MIODHQPXEQPHNX-IBGZPJMESA-N 437.403 4.886 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930688 PQVWYTYXGLSSBA-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945605 OAZSAVIURZFKAQ-XMMPIXPASA-N 438.483 4.967 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2ccncc2)ccc1F 170022780 OXQBDHYMMCCKDS-HXUWFJFHSA-N 438.842 4.671 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140588 YTGLRFAFAWZOHG-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccncc1 170200583 KMGYIMVJWKTGKL-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)c(C)c1 170227659 YJYCZLZWWHNIGR-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)cc1C 170227881 LIYXCWKGNLNVLU-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)ccc1OC(C)C 170230184 WDOLVTAWMHFWSG-REWPJTCUSA-N 435.520 4.540 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12 170256546 HTBVDKOBCZBJRS-HSZRJFAPSA-N 446.503 4.706 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)c1 170259436 IXROKBBVIRLKQT-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)o2)cc1C 170310710 OGVHTEHEEGGCBL-QFIPXVFZSA-N 441.524 4.607 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Oc2ccccc2)c1 170457295 GTYYYAQMIMLDFD-DEOSSOPVSA-N 436.552 4.741 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1cccc(OC(C)C)c1 170475095 PZSXKDCVMPWQQU-JOCHJYFZSA-N 437.536 4.993 30 10 IJEE CC(=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 254384605 CAXFFMMKGMVUFC-UHFFFAOYSA-N 434.334 4.544 30 10 IJEE COc1ccccc1NC(=S)NN=C1C(=O)N(Cc2cc(C)ccc2C)c2ccccc21 254457958 OFOBHHSFLUJVGH-UHFFFAOYSA-N 444.560 4.550 30 10 IJEE C=CCN(C[C@H](Cc1cc(F)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 407529689 ZOPYMEUVBLTDII-SFHVURJKSA-N 429.374 4.922 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1cccc(Br)c1 460962449 WMYJYSPBAZQYFE-HXUWFJFHSA-N 438.373 4.944 30 10 IJEE C=C(C)Cn1c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccncc1 481338613 LBYGOWQJGMUCBX-LJQANCHMSA-N 435.597 4.834 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nc2c(cc1C#N)CCCC2 484160731 LZGCZPZPEXZTPS-NSHDSACASA-N 434.721 4.654 30 10 IJEE C=CCN(C(=O)c1sc(NC(=O)C(C)(C)C)cc1C)c1nc(C(=O)OCC)cs1 501946944 KOGFENVCRDRCSS-UHFFFAOYSA-N 435.571 4.507 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 508496400 DHZXLENGMVJMML-ZDUSSCGKSA-N 447.406 4.625 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 508860966 AHBOBZCOKVNGNH-VFNWGFHPSA-N 442.922 4.899 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)cc2C1=O 512004808 AJPTVECSBSWFJY-MRXNPFEDSA-N 431.345 4.596 30 10 IJEE COc1ccc(OC)c(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 524437869 DJTYXICSQGAWHK-UHFFFAOYSA-N 445.519 4.827 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(SCc3ccco3)C2=O)c(C)c1 526667854 KISZZTQAWRWHBW-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 549667838 JGHQWUDHMBOIKP-UHFFFAOYSA-N 428.577 4.508 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccccc1OC)C1CC1 568918697 JWCMLZVOBCFMPG-UPVQGACJSA-N 430.552 4.887 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)c1ccc(Br)cc1 586257524 JMEBZEACHJKOGZ-UHFFFAOYSA-N 443.750 4.610 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670197765 DUXHSCSXZAZZGS-FPOVZHCZSA-N 438.551 4.788 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCCC 701328937 IQYURGITHXLUGO-JKSUJKDBSA-N 445.348 4.555 30 10 IJEE CCCCCCC[C@@H](NN)c1ccc(I)c(Br)c1 721316142 ZNMLEZLPXGSKDX-CQSZACIVSA-N 425.152 4.919 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 737581095 NMUOSARWPKJKOB-PNLZDCPESA-N 444.984 4.640 30 10 IJEE Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)ccc2C)c(F)cc1F 748994923 IJKVTZJBZYAPBB-UHFFFAOYSA-O 438.479 4.770 30 10 IJEE C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 759842328 BTGKEDHMGPEYHW-STQMWFEESA-N 444.940 4.541 30 10 IJEE N#C[C@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787064364 NFEPSQQXGIQJPD-WAEYIKQSSA-N 449.463 4.501 30 10 IJEE C#C[C@@H](NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)cc1 794893784 PIRLVLWWYYPSHV-YRRMMHPESA-N 434.467 4.522 30 10 IJEE O=[N+]([O-])c1ccc(C(CSc2nc3ccccc3[nH]2)=NNc2cccc([N+](=O)[O-])c2)cc1 1083972477 MSAJZTPAFGNMGO-UHFFFAOYSA-N 448.464 4.988 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 1124606662 AVHBKZWAIIBBER-UHFFFAOYSA-N 441.480 4.777 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)c1ccccc1 1125305839 FODIGJPUALXIFI-WWCBRRATSA-N 439.581 4.578 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](c3ccccc3F)C3CCCC3)CC2=O)cc1Cl 1126918855 GUEQLOOGKFVDIJ-SBUREZEXSA-N 439.918 4.751 30 10 IJEE C#CCOc1ccc(CNC(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)cc1 1129126487 ABTOFRVBWPRCGE-HXUWFJFHSA-N 428.370 4.982 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1CCCC 1129928567 XZAOWELZVIFSCK-KSSFIOAISA-N 441.519 4.655 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3csc(-c4ccccc4Cl)n3)CC2)c1 1130341336 HOQWZIPXZOXUEW-UHFFFAOYSA-N 436.968 4.730 30 10 IJEE C#CCN(C(=O)c1ccc(OCc2cscn2)c(OC)c1)[C@@H]1CCCc2ccccc21 1134093333 NTWDXMGQCOJJNZ-JOCHJYFZSA-N 432.545 4.884 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1138160152 MYRFTPIVENETFG-WZONZLPQSA-N 431.536 4.709 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)cc1Cl 1153669639 ANJXELBRVKFUSC-UHFFFAOYSA-N 434.883 4.820 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](c4ccc(C)cc4)C3(C)C)ccc2c1=O 1153712836 LMAFYMADONSELU-HXUWFJFHSA-N 433.577 4.588 30 10 IJEE Cn1c(O)nc2ncc(-c3cccc(C(=O)Nc4ccc(OC(C)(C)C)c(C#N)c4)c3)cc21 1158949664 DXIHLMYZQLTALR-UHFFFAOYSA-N 441.491 4.642 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC(C)(C)c3ccc(C(F)(F)F)cc3)ccc2c1=O 1161759997 SUBFEKWOCDTFFX-UHFFFAOYSA-N 447.482 4.555 30 10 IJEE CCc1nc(C#N)cc(Sc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)n1 1162049030 IAVZJLQAJZSHCV-UHFFFAOYSA-N 442.548 4.838 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(F)cc1F 1188221482 ADTUYXCWHFHRSJ-KRWDZBQOSA-N 432.414 4.921 30 10 IJEE N#Cc1c(NC(=O)CN2CCc3cc(Br)ccc32)sc2c1CCCCC2 1192347192 DGIDTSXOLPLMQA-UHFFFAOYSA-N 430.371 4.652 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1235107190 QRRWCQLEOALCEI-LJQANCHMSA-N 431.577 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1sc(C)nc1C 1286306280 RXOFIEJHHMRATO-CQSZACIVSA-N 446.045 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CCC1=CCCCC1 1286434908 YIZDYIZLKQJCNT-UHFFFAOYSA-N 434.609 4.932 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCOC1CCCC1 1286441191 TWSCLTCFQIXANC-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(O)(CCC)CCC 1286516313 ZZBSRNZLUOZJGC-RUZDIDTESA-N 446.599 4.659 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@H]1CCOC1 1286602948 GESPULBGMZZEON-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](CC)C1 1286604363 JRHHODOYIMAUGO-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1CCCCC1)C1CC1 1286734368 RIXREKDEOYTRSG-UHFFFAOYSA-N 445.558 4.966 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@](C)(O)c1cc(C)oc1C 1286742134 NWQAKWXKPVWJKS-SANMLTNESA-N 445.567 4.727 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCCO[C@H](C)C1)C(C)C 1286750591 DNCUVHFUVBIZKW-ISKFKSNPSA-N 437.632 4.567 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2c(F)cccc2Cl)C1 1286811261 BDQNVFOHOPEKPE-MRXNPFEDSA-N 432.952 4.553 30 10 IJEE CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 1287340346 FAPQGHVXVWAILA-UHFFFAOYSA-N 447.505 4.537 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H]1CC 1300362552 QXPDXGRMCMRHPJ-TZIWHRDSSA-N 443.636 4.821 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)c1ncc(C)s1 1300443918 PKGCMTREJJBKPS-KRWDZBQOSA-N 447.564 4.755 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCc1nc(C)c(C)s1 1300643025 OBOFFDGSHJJJCE-MRXNPFEDSA-N 425.577 4.887 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc2c[nH]nc2c1 1300925586 XYKLEDVKOKMJGS-IFMALSPDSA-N 436.604 4.718 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1300972189 KBSGSELHBUUKDB-ICSRJNTNSA-N 428.552 4.623 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCc1cccs1 1301278140 FWSSRKOXZILPFS-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](CC)N1CCCC1)C1CC1 1301321161 XVGHPXNRKAZXBA-QGZVFWFLSA-N 444.421 4.737 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1ccc(C)c(OC)c1 1301366519 DFMVENRSVVHXKG-OAQYLSRUSA-N 438.597 4.943 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccn1 1301399082 FNZUKYQARRSAFK-UHFFFAOYSA-N 444.970 4.866 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2cccs2)C1 1301566190 LFKRONHKYANHJE-GOSISDBHSA-N 428.627 4.751 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1301611874 SJCMWXNYSSRUPA-KRWDZBQOSA-N 449.690 4.728 30 10 IJEE Cc1ccccc1-c1ccc(CN(CCS(=O)(=O)c2ccc(C#N)cn2)C(C)C)s1 1307437837 CLQSQHJAPGZVGC-UHFFFAOYSA-N 439.606 4.675 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@H](C)[C@H]3CCNC(=O)OC(C)(C)C)cc2n1 1311235542 NLQCWQJMCXIBBW-LAUBAEHRSA-N 441.576 4.770 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CC[C@H]1CCO[C@@H](C)C1 1315660237 BRXOOJMJKNFWAN-QYZOEREBSA-N 443.617 4.523 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)cc(OC)c1OC 1358049144 JPPVJPGXQATIOC-UHFFFAOYSA-N 445.441 4.567 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(Br)c(OC(C)C)c2)cc(OC)c1OC 1358055996 JPDBMFQJGFCLJG-UHFFFAOYSA-N 448.357 4.912 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1358935966 YMOXGTQZQYTGJB-RTWAWAEBSA-N 426.630 4.932 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC(F)(F)F)cc1 1359113069 ZBJYMYGRTJISEZ-SFHVURJKSA-N 438.494 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1359192480 GTGFNVQTGLJGOI-FQEVSTJZSA-N 436.600 4.740 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359211226 VXJPWIAPYFNNIC-UHFFFAOYSA-N 442.007 4.936 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC(C)(C)OCC)C1CC1 1359247576 HQZRMRIEUXDXSC-UHFFFAOYSA-N 425.396 4.739 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)c2ccccn2)C1 1359315702 ADRHVAWQFAFHOH-JOCHJYFZSA-N 431.584 4.662 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1359339546 JADPKIZAKQQIBY-HKUYNNGSSA-N 428.602 4.650 30 10 IJEE N#Cc1cccc2c1CCN2C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 1436918319 HEFBICNUYZELFN-UHFFFAOYSA-N 431.536 4.714 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 1441387065 YMSVDITWIPNTJO-OAQYLSRUSA-N 444.579 4.742 30 10 IJEE C#CCOc1ccccc1NC(=O)C[C@@H](C)CCc1ccc(I)cc1 1447866020 KRWCKZKPTMIASZ-INIZCTEOSA-N 447.316 4.901 30 10 IJEE C#CCN(C(=O)[C@H](C)CCOc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1456443820 FDIILXHXBFCWCE-UTKZUKDTSA-N 442.353 4.840 30 10 IJEE C#CC[C@@]1(C(=O)OCc2cccc(Br)c2C)CCCN1C(=O)OC(C)(C)C 1458520483 NKWPAIUBDUUOBK-NRFANRHFSA-N 436.346 4.594 30 10 IJEE C#CCOc1ccc(COC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 1458828728 ZAWAYXIUWVOJPN-SFHVURJKSA-N 446.330 4.601 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)ns2)cc1 1460187118 JLUDGHAZJBKRCY-UHFFFAOYSA-N 427.323 4.515 30 10 IJEE N#Cc1cc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)cnc1C(F)(F)F 1461473442 BAIOBHVOCKWHGT-UHFFFAOYSA-N 443.332 4.762 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCNC(=O)OC(C)(C)C)Cc3ccccc3)cc21 1467381531 NQQBMRBWQAKOJO-UHFFFAOYSA-N 449.555 4.781 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)c(Br)cc1F 1474860597 BUKVSNUTNXQSOY-UHFFFAOYSA-N 448.741 4.627 30 10 IJEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(Sc4ccc(F)cc4)cc3)C2)nc1 1478295932 CXOVOYGRPMESEZ-HXUWFJFHSA-N 448.523 4.606 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 1493309904 CAUHCTKJBWBPGO-KURKYZTESA-N 441.551 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCCc1nc(C)cs1 1507544728 BCWWMUDHJDVYJF-KRWDZBQOSA-N 444.004 4.756 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)C)CC1 1507556400 IEXPQOAIZBVSEB-LJQANCHMSA-N 444.023 4.842 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1507663725 JIKVSHBIBGEVPK-MHZLTWQESA-N 432.612 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCOC 1507796549 MHFLIOCGHCMBEW-SVMVAKDDSA-N 444.645 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CCC1 1507803207 FGHMJIDRFKNIMM-LZNRXBQRSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCCCCC1 1507809292 JCPYNXGNRIQLQQ-RDPSFJRHSA-N 440.588 4.617 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2cccc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1507875100 NKYIVCPMMMJQHN-DENIHFKCSA-N 434.943 4.552 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1507879318 DSIWYXHHEYNQGL-UFYCRDLUSA-N 428.552 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1507880809 MZKJXJGWETZVSZ-HTAPYJJXSA-N 445.405 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1507912880 LQQXVBSJJRENML-LJQANCHMSA-N 436.629 4.887 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1C(C)C)c1ccccc1 1507921654 WVUODIGCUPQMRZ-FCHUYYIVSA-N 444.583 4.910 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1)c1ccccc1 1507924873 VGEVFJWRVFZGIU-DEOSSOPVSA-N 435.616 4.565 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@@H]1CCOC1 1507926041 NJXWFCBLCNTPKO-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCOCC(C)C 1507973397 BXSURTZDJCLXSS-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCN(c1nnc([C@H](C)CC)n1CCc1ccc(OC)c(Br)c1)C1CC1 1507991898 WPOOUZCSUIHAEP-OAHLLOKOSA-N 433.394 4.960 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(C)c2)CC1 1508164476 IUCIZICWTPJUMZ-UHFFFAOYSA-N 425.646 4.565 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1508168855 ZIBKOAOVTPGBIR-VLCRHTCISA-N 437.613 4.663 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1510288422 GRLXOZBAVHXDII-UUOWRZLLSA-N 425.552 4.953 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2sccc2C)cc1C 1510934300 HETLMLCWSNEZLD-DEOSSOPVSA-N 448.596 4.696 30 10 IJEE CCC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC#N)CC1)OC 1514332748 HLDFTOUKYRPTBB-SFHVURJKSA-N 431.968 4.552 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1OC 1519657562 GLRIKZGXIUWIPL-SOGBHIHOSA-N 430.342 4.783 30 10 IJEE C=C[C@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccccc1 1520561676 LLLULAQAQONWNL-MRXNPFEDSA-N 433.430 4.622 30 10 IJEE C#CCN(C(=O)C[C@H](C)c1cccc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1521818266 BFTURVQGQPEQDZ-HRAATJIYSA-N 442.353 4.937 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 1525037791 DEKUBFVXXQEESX-AGHHOFFYSA-N 447.337 4.921 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)C(C)(C)C 1535510645 YFNNUIZCTJGMDX-NRFANRHFSA-N 448.592 4.508 30 10 IJEE C#CCCCCCC(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1536479348 CTAZJRVAMQLUHA-UHFFFAOYSA-N 442.556 4.765 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 1537204494 OKFWKVQZCNUEIT-IBGZPJMESA-N 432.973 4.736 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(N(CC)CC)CC1 1539094278 NJCODFRUAIFNSM-IBGZPJMESA-N 444.023 4.796 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Br)s1 1539116083 KXLCFVHYLPGGNG-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@H]1CC 1539369617 NJKPQSPCYPDHRJ-CTNGQTDRSA-N 443.636 4.678 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)nnc1-c1ccc(Cl)cc1Cl 1539459008 ZTOKPXLHOARJDE-HACGYAERSA-N 437.396 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cccc(NC(=O)C2CCC2)c1 1539556267 AGONSHBOAIWTNX-AREMUKBSSA-N 433.600 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CC)Cc1c(F)cccc1F 1539629726 XZHLFLBUXXGKQK-VGSWGCGISA-N 441.526 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCOCC1 1539908799 ASXOKEIQJJJKMP-UHFFFAOYSA-N 436.556 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)c1nccs1 1539924576 UJFMKUKWWDHBJQ-GOSISDBHSA-N 449.628 4.815 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1539952592 HFISDBXNIINFRL-NHCUHLMSSA-N 441.595 4.978 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C=C)CC1 1540029732 XPXNVZDLIGSZGJ-UHFFFAOYSA-N 437.407 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1540139778 FASYGXBUINJHRV-SFHVURJKSA-N 443.617 4.630 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1Cc2cccc(Br)c2C1)C(C)C 1540146971 HTVAZBLJVCWVCT-NRFANRHFSA-N 444.421 4.568 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(C)C 1540180198 JKTKPBRHZJSFMK-UKILVPOCSA-N 445.611 4.945 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2coc(-c3ccc(C)cc3)n2)C1 1540882178 CWNPTINEJHTWND-SIKLNZKXSA-N 435.572 4.779 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCC(F)(F)C2)C1 1540889608 QCICOWMPJJSOGN-RBUKOAKNSA-N 431.531 4.645 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1540915400 KZLCAVFRJJCLJN-WOJBJXKFSA-N 449.020 4.670 30 10 IJEE C=CCSCCn1c(N2CCC[C@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540922540 QOYLWPICXBMOTI-GBESFXJTSA-N 449.665 4.594 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 1543245426 ULXZGZCGUMQGHQ-KRWDZBQOSA-N 431.583 4.848 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 1543771800 VWMGPRQHFFBYFH-MAUKXSAKSA-N 427.570 4.602 30 10 IJEE CCN(CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1547477403 FNNPYPBAIKTVPG-SANMLTNESA-N 436.648 4.887 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)Cc3ccc(OC)nc3)c2C#N)C1 1559990937 BWXTTZKFFNIFAZ-KRWDZBQOSA-N 440.613 4.635 30 10 IJEE C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](Sc2ccc(Br)cc2)C1 1560021304 GZAHLQXZENUNGN-KUHUBIRLSA-N 430.371 4.514 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)c1cccc(SCC#N)c1 1570561243 CYUYDPJOTRAJES-KRWDZBQOSA-N 429.586 4.554 30 10 IJEE C=CC1(CC(=O)N[C@@H](C(=O)OCC)c2c(C)nn(Cc3ccccc3)c2C)CCCCC1 1584818692 MWKYOAGNJXLDCN-XMMPIXPASA-N 437.584 4.795 30 10 IJEE CCN(CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1585961502 GGPGSDWTMVSNNA-UHFFFAOYSA-N 449.986 4.690 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)OC1CCCC1 1587765930 MYYVVCWSBSBKFD-UHFFFAOYSA-N 445.608 4.507 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)C(=O)OCC 1588122202 NFLCCTIRZIQOOM-LJQANCHMSA-N 428.891 4.633 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H]2c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593682741 AEAUJXASTCNSKO-KSZLIROESA-N 427.549 4.559 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(F)(F)F 1593710939 AZBWIPJRIDZOQU-UHFFFAOYSA-N 428.524 4.867 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CC=CCC2)CC1 1594194446 VXYZCKWSVUTELZ-LJQANCHMSA-N 442.007 4.736 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccccc2OC)CC1 1594582391 PQRSTUAWTJSJKC-UHFFFAOYSA-N 435.572 4.534 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1594829572 LQVHARYMVRVEKA-KDURUIRLSA-N 433.021 4.909 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCC)C1CC1 1595058572 PTBURLBMWOSDEA-JOCHJYFZSA-N 428.024 4.942 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC[C@H]1CCO[C@H](C)C1 1595076046 RPTXPCYYNAHCOU-RTWAWAEBSA-N 447.583 4.747 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccsc1 1595134332 YPWQSTOZZUKDLM-HSZRJFAPSA-N 428.577 4.778 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3c(F)cccc3F)cc2n1 1597381595 YKNNVTANYDOFED-HXUWFJFHSA-N 442.466 4.705 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3)C(=O)OCC 1613104267 AVMRBYWXOUAXDA-CQSZACIVSA-N 440.590 4.783 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1618325862 UDSKXUDCZFWGCU-PKOBYXMFSA-N 442.556 4.536 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1 1620239841 BYKDUHMWIUJXEA-UYAOXDASSA-N 427.643 4.682 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(Br)ccn2)cc1OC 1621062614 DTROWGJAUUDYPD-UHFFFAOYSA-N 428.124 4.792 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2cc(Cl)c(OC)cc2Br)CCCC1(C)C 1622084286 TXSUAADEICGABN-INIZCTEOSA-N 436.799 4.867 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc2ccccc2nc1Br)C(C)C 1623728353 UJPLBBNOMBPCIR-IBGZPJMESA-N 431.378 4.817 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1 1624528800 BZNHMDNDHSIBFS-UHFFFAOYSA-N 444.514 4.591 30 10 IJEE C#CCOc1ccccc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 1625436647 PJUWUZVICKKIDL-UHFFFAOYSA-N 440.499 4.566 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[C@]1(C)c1ccccc1OC 1625538531 KDFJVYWGRTXKOP-PZJWPPBQSA-N 431.330 4.874 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)cc1 1629022687 YCLOJULODVMYCI-UHFFFAOYSA-N 434.289 4.944 30 10 IJEE C=CC[C@H](NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)c1ccncc1 1631877874 KTKOYQOYIPJPQE-NSHDSACASA-N 432.215 4.517 30 10 IJEE C#CCOc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1634334024 NDSOSPPVMURYNI-UHFFFAOYSA-N 425.463 4.872 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)CC1 1635679544 FHTKXWVGKFAFOS-OAQYLSRUSA-N 428.363 4.725 30 10 IJEE C=CCN1CC[C@H](Sc2nnc(-c3cccc(C)c3)n2-c2ccc(OCC)cc2)C1=O 1640593548 GFKOLNAQIOYBLW-NRFANRHFSA-N 434.565 4.520 30 10 IJEE C=CCn1c(SCCN2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccc(Br)cc1 1640709691 PPLQTRHNKJWZDR-IYBDPMFKSA-N 435.435 4.964 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)nc2sc3c(c2c1=O)CCC3 1643464432 IXBYTDKGNUXEDV-OAHLLOKOSA-N 439.606 4.869 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCSC[C@H]2C(C)(C)C)n(-c2cccc(F)c2)c1C 1644304979 DNPSZYSIJIZDIO-FQEVSTJZSA-N 428.577 4.507 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl 1644617654 FTJORCIGAQBVJA-IRXDYDNUSA-N 445.387 4.735 30 10 IJEE COc1ccc2c(c1)N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CCCC2 1646329793 FCSIUZPWCAKWBC-UHFFFAOYSA-N 446.526 4.895 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1646493725 GAHHESVPFPJTNO-OAQYLSRUSA-N 432.545 4.945 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 1646501117 YCVXIKYJIKAACV-JTQLQIEISA-N 438.759 4.749 30 10 IJEE C=CCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nc2sc(C)c(C)c2c1=O 1656058161 NBQRLEIRYVCYBF-UHFFFAOYSA-N 447.589 4.919 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1)c1ccc(Cl)cc1 1659117803 INDQPVGRQBEHME-OAQYLSRUSA-N 436.943 4.659 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2ccc(-c3ccc(NC(C)=O)cc3)cc2)c(OC)c1 1660989436 CTVWEMLVRRSCJD-UHFFFAOYSA-N 437.517 4.817 30 10 IJEE O=S(=O)(N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1669932282 GHQNAISJOUIBOL-OAHLLOKOSA-N 440.340 4.908 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCCN3CCC4(CCCCC4)CC3)n2)c(Cl)c1 1670162730 GKBAITGLODOZCK-UHFFFAOYSA-N 440.979 4.565 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(Oc2ccncc2C)CC1 1670844929 GHBGNMWEPUIPBE-UHFFFAOYSA-N 446.345 4.793 30 10 IJEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1672083491 FIGGZAYDCOONFA-UHFFFAOYSA-N 432.565 4.750 30 10 IJEE N#Cc1ccc(CN(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)C2CC2)cc1 1674043361 GRDIFBKBPVOLQQ-QFIPXVFZSA-N 440.950 4.862 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1674455826 ZYAYKCNHUDGKMT-XMMPIXPASA-N 430.552 4.715 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(OCCOC)cc1C 1678351177 BFNKDYKNYDCPDU-UHFFFAOYSA-N 435.318 4.992 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1683289221 PUDUZHPSNQGOBO-LJQANCHMSA-N 433.474 4.841 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)CN1CCCC1 1689831425 KTUWEOGBEUAZMG-RTBURBONSA-N 448.640 4.567 30 10 IJEE C#CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)Cc1cnn(C)c1 1689877245 UKULVJCMYWUINP-UHFFFAOYSA-N 438.988 4.987 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1690049740 FEQHCPBWMKDCSR-HXUWFJFHSA-N 428.502 4.687 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(C)C)C1 1690219437 DWAILYBXEPWDDW-CVEARBPZSA-N 437.357 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CCOc1cccc(C(F)(F)F)n1 1690259575 OFXSMZGTNVMXKU-UHFFFAOYSA-N 435.450 4.742 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1690430529 MPYSEBQCFBAARW-LJQANCHMSA-N 439.560 4.852 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690454985 BIHLMPBKGMLVML-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690467438 WQGITTQAPQVZJB-LJQANCHMSA-N 438.494 4.598 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](CCC)C1 1690492640 YDAQIUVZPLWTFN-LJQANCHMSA-N 449.393 4.591 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H]1C(C)C 1690662270 WXZSIQXLANYTEF-MRXNPFEDSA-N 444.004 4.740 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](OC)C(C)(C)C)C1 1690711970 LLEQWWDCRUZKAH-PZJWPPBQSA-N 444.645 4.721 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1690744305 MDRPBVRJOFHBEM-QZTJIDSGSA-N 433.647 4.588 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1cnn(C)c1C 1705510004 MPZMDBYFVHCMOG-NRFANRHFSA-N 434.588 4.517 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H](C)c1ncc(C)s1 1705619651 YAQKNBYVPSFVQC-KRWDZBQOSA-N 446.555 4.688 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1CC 1705654246 APPVFFYAJRMINK-QGZVFWFLSA-N 433.419 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSCC1 1705695562 CDSLZSJDPFLUPE-URVUXULASA-N 442.629 4.569 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)CC1 1705729862 AYUXVGFOZCKLPW-MRXNPFEDSA-N 440.922 4.900 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705757628 RUKHNFPKLDCANP-FQEVSTJZSA-N 432.996 4.608 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1705796206 BABOROANRMRGJS-VWNXMTODSA-N 437.632 4.846 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705807635 JRDCNFGDFCFQNO-VWLOTQADSA-N 436.604 4.514 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Cn2cccn2)CC1 1705811500 FMGFIWODOYBIBZ-IBGZPJMESA-N 438.551 4.637 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1Cc1sccc1C 1705857585 XQALVBZOBVDHSK-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC(C)(C)C1 1708233999 FOSZDACWBAMGNU-CTNGQTDRSA-N 437.588 4.560 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)CCOCC1 1708889885 ASRDTEKVBITFDA-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@H]1C 1722278512 QPUINUUPJFVZAT-QZNHQXDQSA-N 437.632 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1occc1C 1722279675 IBGXSQZDPQAMAB-CYBMUJFWSA-N 433.737 4.769 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC1(CCOC)CCCCC1 1722299811 TUAXJJIEMMWKFT-JOCHJYFZSA-N 438.616 4.919 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1722311919 ODIJOPIGNYIIPW-QFIPXVFZSA-N 449.986 4.635 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722330895 QXBNZEJFUGJQRU-MOPGFXCFSA-N 445.405 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C(CC)CC)N(C)C 1722474431 DJBUFHIWMWXQKX-UXGLMHHASA-N 443.680 4.555 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CCC(F)(F)F)CC1CC1 1722506949 NQWZDVIWXDQRSP-UYAOXDASSA-N 449.521 4.799 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCS[C@@H](C)C1 1722536106 REGWRNICZZTXGO-FQEVSTJZSA-N 444.645 4.823 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1722646822 LWLVTBWXPGEHAN-VQTJNVASSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H](c1ccco1)N(C)C 1722658200 AXZGGBLIYWVCKS-JOCHJYFZSA-N 448.546 4.511 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCSC1 1722679188 PYPQEWRYFATFPO-ZWKOTPCHSA-N 446.686 4.913 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC)[C@H](C)C1 1722734104 AOQCTROMZKELLV-GOSISDBHSA-N 445.702 4.725 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1728134795 BLBLAUNCXYCWSO-LJQANCHMSA-N 442.558 4.563 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCC1(F)F 1740559821 VPFPQVGFQCZUOU-QZTJIDSGSA-N 432.515 4.539 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCS[C@H](C)[C@@H]1C 1740572504 MULMHFNMUZEJTE-JKSUJKDBSA-N 433.419 4.841 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740595772 KFMNBNWUZSTIAA-UHFFFAOYSA-N 438.616 4.962 30 10 IJEE C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cc(Cl)ccn1 1740808210 BYVPMSCHDTTYEA-UHFFFAOYSA-N 427.339 4.874 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1740824836 CRPPOBIYLVONCQ-IBGZPJMESA-N 436.478 4.817 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2OCCC2(C)C)CC1 1740835789 CUBAWNSIXLVKCS-HXUWFJFHSA-N 430.980 4.825 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCSC)CC1 1740837983 BYOSMVSHGTVPEZ-IBGZPJMESA-N 449.665 4.548 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC2(CCOCC2)C1 1740860574 INAXSVANCHSENF-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740865425 UGIAZGWGBHKGPS-AQNXPRMDSA-N 447.624 4.616 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1740866186 YYPIQKLVWAZRCT-GHTZIAJQSA-N 448.970 4.899 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCCN1CC 1740900995 AOTDHVNXDOHEKP-HXUWFJFHSA-N 435.572 4.614 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(C)(C)O)cc1 1740921617 BXVUTMHFOCYPIX-UHFFFAOYSA-N 433.581 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1 1740923644 QZRFXCWEEXRACB-KRWDZBQOSA-N 441.601 4.760 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CC12CCOCC2 1740925818 NWQHGOXJVLJSSH-RBUKOAKNSA-N 426.536 4.552 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21)C(C)C 1740926848 LUGHYJZQINAVPC-UQUMJBAASA-N 425.665 4.800 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCCC1(C)C 1740938680 KNWMLJSLZMSILV-AREMUKBSSA-N 440.632 4.823 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)Oc2ccc(Cl)cc2)C1 1740974363 FFAWKOOHUIWKSM-XLIONFOSSA-N 442.947 4.749 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1744853393 DTJRDULBHLYWJZ-SJORKVTESA-N 445.409 4.992 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)c1nc(C)cs1 1748667043 MBLZMHSOXCWYLM-NVXWUHKLSA-N 432.553 4.627 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CCO[C@H]1C1CC1 1748834325 JHNNGYWRKFDKAJ-REWPJTCUSA-N 443.378 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H]1C 1749126051 ZUICORXMRPSCND-RFWXGWTQSA-N 440.588 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(N(C)C)nc1 1749147803 QQPWWYCAJMADPT-UHFFFAOYSA-N 441.583 4.713 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cc(F)cc(F)c2)CC1 1749288355 SJVAINJSJUFWLX-UHFFFAOYSA-N 448.315 4.713 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2CC(F)(F)Br)CC1 1749335249 NGXHDKKZULKKNG-UHFFFAOYSA-N 448.315 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnc(C)s1 1749355522 KQGCHZYYXCOHRN-UHFFFAOYSA-N 441.601 4.966 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1749390580 HANKDECAIFDBFY-UHFFFAOYSA-N 447.631 4.659 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749391481 PPOAKRWYVJRMBA-IPJJNNNSSA-N 428.552 4.919 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC1COC(C)(C)OC1 1749415881 VXFTUHOWPYPHRB-QGZVFWFLSA-N 444.645 4.933 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1CC1=CCCCC1 1749530326 YVRYECBJTJKVOH-UHFFFAOYSA-N 429.568 4.966 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760123625 AGTJFKYRTOMHRV-ZJPYXAASSA-N 433.021 4.885 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C(F)(F)F)CC1 1760399334 JBFLBVRIAFMWEH-UHFFFAOYSA-N 438.494 4.953 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)C)C1 1760421399 NJTDTDIGUQYGIP-LJQANCHMSA-N 429.996 4.700 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760424464 INXSOBXSHAIWME-SIKLNZKXSA-N 444.023 4.502 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1760430965 ZWHKZYJQMMPZLV-JTHBVZDNSA-N 429.653 4.967 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCc2ccc(Br)cc2C1 1760445403 IOENLCFZGFYAIQ-MRXNPFEDSA-N 433.394 4.710 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@@H](O)C1 1760487902 GVUAZVFTJOIPCV-FGZHOGPDSA-N 436.625 4.869 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2occc2C)C1 1760536139 DCTKOPYSMHYVRK-LEWJYISDSA-N 436.556 4.766 30 10 IJEE C[C@@H]1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)C[C@@H](C)O1 1762752960 FQCPNNDMMKLROM-RTBURBONSA-N 437.588 4.559 30 10 IJEE Cc1c(C(=O)N=C2NN=C(c3ccccc3)CS2)c(=O)oc2c(Cl)cc(Cl)cc12 1859740269 LKOUFLQBVQGEHF-UHFFFAOYSA-N 446.315 4.645 30 10 IJEE N#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(Cl)c2)cc1 1860860205 GANDZEIZJHIQEB-QHCPKHFHSA-N 442.906 4.673 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(Oc2ccccc2)c1 1861765737 OFNDVGWUYWRGMN-QPPBQGQZSA-N 438.568 4.531 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1[N+](=O)[O-] 1862418813 LROAIXJWPWROLH-LJQANCHMSA-N 430.407 4.642 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OCC)c1 1862447059 HGPNQIWQFCAKRA-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862491536 VXYZIMXTWMLLND-AUSIDOKSSA-N 430.504 4.542 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862538496 IHLOSVFDBKBXRR-CWTRNNRKSA-N 434.319 4.515 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862557754 PEESONFYKTUUJZ-HSZRJFAPSA-N 432.520 4.746 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862592255 YUEZRPWDBBOZOC-LJQANCHMSA-N 425.893 4.886 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)c1 1862625879 PPDIBPPFXSQGNP-XMMPIXPASA-N 441.483 4.811 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 1862749326 VZVHRXCKTLFFIO-XWRIVVANSA-N 438.455 4.891 30 10 IJEE CCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Br)cc2)C1=O 1863198905 BYPLQOHCGUUWMR-UHFFFAOYSA-N 438.325 4.703 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1 1863447520 WNNWIFUCDAWYIP-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1863805411 WKRPARRALYFFPJ-UHFFFAOYSA-N 436.581 4.855 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)CCc1nc(-c2ccc(F)cc2)cs1 1868916477 LFDDSCWVQMMCDL-HXUWFJFHSA-N 443.588 4.757 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(C)C 1868995407 ZQKSIYHIMDDKIF-XMMPIXPASA-N 437.584 4.657 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccs2)n(-c2cccc(Cl)c2)n1 1870002190 FGTASLVLIPCNQZ-ZHACJKMWSA-N 425.945 4.813 30 10 IJEE CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C#N)nnn2-c2ccc(C(C)(C)C)cc2)cc1 1870145615 IPNCRFGFULARBC-KRWDZBQOSA-N 431.540 4.966 30 10 IJEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1870156886 GYXRYHIIQBQPOG-ZDUSSCGKSA-N 444.322 4.975 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)COc2ccccc2CC)cc1 1870157583 GBVNEDBJKZGMCD-UHFFFAOYSA-N 447.539 4.678 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCN(C)CC1 1870342506 XSFJSVZKEMJXSX-UHFFFAOYSA-N 443.607 4.674 30 10 IJEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871004575 MKHPJNCFFOWCKN-UHFFFAOYSA-N 444.428 4.873 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1ccc(CC)cc1 1871186932 NIAWUUVVZLSFTR-UHFFFAOYSA-N 445.563 4.789 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)cc1OC 1871364909 ZLWOMPXHMCRVQL-UCQKPKSFSA-N 446.455 4.613 30 10 IJEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871429707 UMDKOBMBPDKBJT-BKUYFWCQSA-N 439.464 4.878 30 10 IJEE CC(C)CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871429738 WGRMNDMOBVZDMJ-BKUYFWCQSA-N 425.437 4.569 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccco2)nc(Nc2ccc(N(CC)CC)cc2C)[nH]1 1871710505 DQMZQKIUVVWCCK-UHFFFAOYSA-N 447.587 4.575 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CCCC 1872162086 OPIJRZNGDLZZOY-FQEVSTJZSA-N 438.634 4.981 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2c(Cl)cccc2Cl)C1=O 1873289545 SCEAGFJIXQWWPW-UHFFFAOYSA-N 427.209 4.789 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@@H](C)CC)c2)=C(c2cc(C)ccc2C)C1=O 1873396484 KCXZQYHETQHJRQ-SFHVURJKSA-N 432.520 4.637 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(NC[C@H]3CCCO3)ncnc21 1873612281 MBZCHOXYLPNJBL-HXUWFJFHSA-N 449.555 4.639 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(Cl)c1 1874219145 WYSKWHWJYVGMCY-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1C(=O)O 1874230842 FSDZASKPXODEGB-FSJBWODESA-N 442.928 4.677 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC)cc1OC 1874261483 IWKJLEDOUTXEGP-WYMPLXKRSA-N 448.495 4.537 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2)cc1 1874417815 UJFXCZWVHJUVML-LFVJCYFKSA-N 429.505 4.952 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)C)cc1 1874514994 LZZNZUPPONDVEF-ZMOGYAJESA-N 432.553 4.787 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1C 1874581971 PERXMUXOZJJQDQ-DHZHZOJOSA-N 443.499 4.988 30 10 IJEE C=CCn1c(C(=O)N2CCC[C@@H](C)C2)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1875227615 GQHQZVSWKQYLCF-GOSISDBHSA-N 442.567 4.625 30 10 IJEE C=CCn1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc2c(NCC)ncnc21 1875227847 OIQWODOPIWNZIW-UHFFFAOYSA-N 425.536 4.892 30 10 IJEE CO[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1904977343 FRUMUAOVTOUJHR-SJORKVTESA-N 439.940 4.513 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 1930238628 LIMZFULXYUFKEX-HXUWFJFHSA-N 429.561 4.963 30 10 IJEE CC1(C)C[C@@H]([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1938245723 ZXBVCCUDTJGXQY-UONOGXRCSA-N 435.487 4.714 30 10 IJEE CCCC[C@@H](CC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2060637098 GNEHHBPCFICJCT-MSOLQXFVSA-N 438.418 4.545 30 10 IJEE Fc1ccc(C(F)(F)F)c(Cn2nc(I)cc2C(F)(F)F)c1 2079172849 DPFGVWHMZYLRCK-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE CC(=O)Oc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080095955 RLROIBXPBQPGFE-QGZVFWFLSA-N 434.334 4.676 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CNc2ccc(C#N)c(Br)c2F)CC1 2105974356 LUYQQHHNALZGHI-UHFFFAOYSA-N 426.330 4.955 30 10 IJEE CN(CCCCCCNC(=O)OC(C)(C)C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2106599144 DLPIPVXBGOPQFG-UHFFFAOYSA-N 446.441 4.503 30 10 IJEE CN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)Cc1ccc(Br)cc1C#N 2174626080 JTPQZWHYNCOCSM-UHFFFAOYSA-N 431.334 4.695 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2c(F)ccc(Br)c2F)NC)C1 2183054157 XXZGOAWEWCLWFS-MRXNPFEDSA-N 445.348 4.719 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C)(C(=O)Nc2ccc(C#N)c(Br)c2)CC1(C)C 2199605467 IAPXMXSIKQEIPW-HXUWFJFHSA-N 436.350 4.685 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2219965243 YVHLSZNMXCFLLG-FGZHOGPDSA-N 441.446 4.863 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(C)c(C)c1Br 2221899412 JTWBKHZYPWQADW-CYBMUJFWSA-N 431.396 4.603 30 10 IJEE N#Cc1ccc(CNc2ccc(Br)cc2I)cc1F 2231677884 KKRNKBNYCCDZAI-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)o1 2235729928 UGNPVFPDZGSMNP-SFHVURJKSA-N 433.346 4.769 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1(CNC(=O)OC(C)(C)C)CCCC1 2235733138 TXVQYBQIRLNFLP-LJQANCHMSA-N 435.406 4.864 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239652443 KPIUSCBRRSIBFV-MJGOQNOKSA-N 439.394 4.805 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)c1C 2256726438 JESKGGUDKQKYMJ-UHFFFAOYSA-N 430.354 4.568 30 10 IJEE Cc1c(Br)cc(F)cc1NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 2287978348 JUWXBJPVWCCXEE-OAHLLOKOSA-N 442.329 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(c3ccc(C#N)c(Br)c3F)[C@H]2C1 2290258682 JDFRCCBZYUFXTJ-BBRMVZONSA-N 438.341 4.686 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)no1 2296098675 GVQABCUZZFYYQO-SFHVURJKSA-N 429.259 4.916 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296225050 QMKAXYQQWKZUEA-JUXOCIIHSA-N 433.390 4.698 30 10 IJEE CCC[C@]1([C@H](C#Cc2cccc(Br)c2)NC)CCCN1C(=O)OC(C)(C)C 2296267531 UTCGZEPYMDDEFQ-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C 2296278652 GNZBOHUNFFVWPA-PWIZWCRZSA-N 437.422 4.964 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H](C)C1 2296289487 SCXHAJMWTJGPJQ-PERKRYKHSA-N 435.406 4.862 30 10 IJEE CCC[C@]1([C@H](C#Cc2ccc(Br)cc2)NC)CCN(C(=O)OC(C)(C)C)C1 2296306682 KOISYGGGZGVILX-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)o2)[C@H]1c1cccc(Oc2ccccc2)c1 2296923886 FDQVPQQGDHXURA-HSZRJFAPSA-N 447.487 4.839 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 2314524344 SGHVDFMXKJBMAX-HSZRJFAPSA-N 436.552 4.507 30 10 IJEE COc1ccc(C=NN=C2SC(=Cc3ccccc3)C(=O)N2Cc2ccco2)cc1OC 2314818658 IQZGQXWPLDKIGU-UHFFFAOYSA-N 447.516 4.803 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1cccc2ccccc12 2321088470 QBFVVEHRHUMKTE-UHFFFAOYSA-N 429.549 4.915 30 10 IJEE COc1ccccc1C=Nn1c(S)nnc1CCCOc1cc(C)c(Cl)c(C)c1 2322286389 YPBAIJDLJKBDKS-UHFFFAOYSA-N 430.961 4.739 30 10 IJEE COc1ccc(OCCN2COc3c(cc4c(c3C)OC(=Cc3cccs3)C4=O)C2)cc1 2322321678 UFRZHGHFSZKTJB-UHFFFAOYSA-N 449.528 4.912 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4ccco4)cc(C)c3C1=O)cn2C 2322657682 JXVSJAOEBRICGU-UHFFFAOYSA-N 429.428 4.924 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCC(=O)NC1CCCCC1 2322785106 XVFNIXKDCWATNZ-UHFFFAOYSA-N 429.463 4.697 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)c1OC 2323226531 XKRNLWKWZFJNFL-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE COc1c(Cl)cc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)c(OC)c1Cl 2323543970 BAHHGNPHCQPRBA-UHFFFAOYSA-N 441.315 4.503 30 10 IJEE CCOc1cc(C=NNc2nc(-c3ccccc3OC)cs2)cc([N+](=O)[O-])c1OCC 2323850885 UJDKNLKBCJGPLU-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 2324430193 UKSVMWBKAJWCIP-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1Br 2324609995 SLCYTBUMMBUHMK-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(OC)c2)cc1C 2324649299 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C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1cc(Br)cc(OC2CC2)c1 2337408902 PIQWTQSMGRFODE-ZWKOTPCHSA-N 426.351 4.883 30 10 IJEE CCCN[C@H](C#CC1CC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362771825 FTLJNIYDBAIPLZ-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE Cc1cc(C#N)ccc1COCc1cc(I)ccc1Br 2367270569 GJUJEOCJIYJBOS-UHFFFAOYSA-N 442.094 4.951 30 10 IJEE C=CCSc1ccccc1N[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371199376 KRJZIXXKSPYXKM-QHCPKHFHSA-N 426.538 4.633 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/c2cc(OC)ccc2OC)C3=O)cc1 2154931 ZSNQCUYHYDJPHU-DHRITJCHSA-N 446.455 4.590 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 9697040 OZMLIPWKIDTUMY-UHFFFAOYSA-N 448.544 4.836 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(O)cc1)c1ccco1 32555285 ICEGXYTVFMBOSP-GOSISDBHSA-N 429.350 4.787 30 10 IJEE C=CCN1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 33335120 RSCKEFHVNSYHFK-ISLYRVAYSA-N 426.950 4.644 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2OC)c1 34955315 QWXZXBUNHQGGRD-DHZHZOJOSA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)/N=C(/NCc2ccncc2)Nc2cccc(C(C)C)c2)cc1OC 45940530 VNPXHJJRFQXDSY-UHFFFAOYSA-N 432.524 4.620 30 10 IJEE Cc1ccc(CN/C(=N/c2cccc(C(=O)O)c2)N2CCN([C@@H](C)CC(C)C)CC2)cc1 46021984 ZRRXBEKDHZHYIN-NRFANRHFSA-N 436.600 4.523 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](COc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95085428 MYNSLJLBYARNIE-NRFANRHFSA-N 446.551 4.982 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C\c2cc(OC)ccc2OC)C1=O 103200664 RLWYLCBUCCNKKG-UYRXBGFRSA-N 425.506 4.556 30 10 IJEE COc1cc(/C=N/Nc2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169876939 HPNZJFKNJDWNGO-ZMOGYAJESA-N 435.436 4.635 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC)cc1 170032904 CFQOEJKKIMLHDT-QHCPKHFHSA-N 448.519 4.572 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143276 DXUDMSVXWZECHV-VWNXMTODSA-N 431.532 4.631 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(OCC)cc1 170214137 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30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 526829237 XZSUQCNBGRFMQC-NHDPSOOVSA-N 431.905 4.721 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 536081581 XGFLHHOPYSSHBW-UHFFFAOYSA-N 429.480 4.730 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cc(C)ccc2C)cc1OC 586227248 FBHOVYYRFQVPNR-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(N2c3ccccc3C[C@H]2C)CC1 609385213 DBBLBWMYKZWWDY-WOJBJXKFSA-N 448.636 4.792 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)COc2cc(O)ccc21 710736545 NBNBLLKMASRDLV-HXUWFJFHSA-N 431.286 4.708 30 10 IJEE N#CCSc1ccccc1C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727412092 AGLFKMSDTSYCKU-FQEVSTJZSA-N 425.941 4.544 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 741546505 JDOLMANDBHKHCU-PZJWPPBQSA-N 441.572 4.523 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1)c1ccccc1 757762337 OMVXIHIFNIMPJT-BHIFYINESA-N 425.573 4.572 30 10 IJEE N#CC1(CS(=O)(=O)NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CCCCC1 760402810 XOQUENVKNYTGQL-UHFFFAOYSA-N 449.532 4.542 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCc3nc4ccc(C)cn4c3[C@@H]2CC(=O)O)c1 821243867 DGJHIAYCYOTXAN-NRFANRHFSA-N 446.551 4.695 30 10 IJEE C=CCOc1ccc(CN2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1Cl 856560942 QLMSNTWXXYXWAP-JOCHJYFZSA-N 429.992 4.793 30 10 IJEE COc1cccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(Cl)c(Cl)c3)S2)c1 1084004169 ALWHOFFBBNBNDW-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2ccc(I)cc2)C(F)(F)F)cc1 1128968316 JMAYSBSYGDZXBR-KRWDZBQOSA-N 444.190 4.662 30 10 IJEE C#CC[C@@H]1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)C1 1148870779 AOZWYQZNMAXYBJ-QGZVFWFLSA-N 431.005 4.796 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@H](c3cccc(Cl)c3)C2)c1 1169013223 CZJPJTYCPKPLLT-XXBNENTESA-N 425.960 4.666 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 1182489288 CGOZRTVXFXZKHR-UHFFFAOYSA-N 448.526 4.722 30 10 IJEE CC(C)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(Cl)cc1 1185056866 GGCBVXITRLBTRT-KRWDZBQOSA-N 427.751 4.650 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1cccc(Cl)c1Cl 1187172836 FLIQYXLCAOKYDU-SECBINFHSA-N 434.142 4.667 30 10 IJEE N#Cc1ccc(OC2CCN(CC(=O)Nc3cccc(Oc4ccccc4)c3)CC2)c(F)c1 1194141576 FJESJQCMGFGWNS-UHFFFAOYSA-N 445.494 4.972 30 10 IJEE CCN(CC)[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccsc1 1217007703 CENCPIQKGGGQSS-INIZCTEOSA-N 426.464 4.723 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(F)c(F)c1 1220879408 AZMYGITYCIGBRM-GGUMNFRJSA-N 443.538 4.691 30 10 IJEE CC(C)C[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1cccc(C(F)(F)F)c1 1221705115 HSHRMSKCQIVFHB-OAQYLSRUSA-N 445.489 4.591 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(Br)c2Cl)c1 1227996736 GAQUFOOCBQMLRT-HNNXBMFYSA-N 436.737 4.783 30 10 IJEE C#CCCOc1ccc(C(=O)N(CC(=O)Nc2ccccc2)c2cc(C)cc(C)c2)cc1 1265060804 UFZJDMCACFSBHS-UHFFFAOYSA-N 426.516 4.991 30 10 IJEE 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C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCCC(C)(C)C1 1286743741 QLPXHFDOVKVMKR-UHFFFAOYSA-N 444.627 4.963 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@@H]1C 1286746696 CHMQCBCPXNMKJT-HNAYVOBHSA-N 441.988 4.697 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1288557900 GUWVGXURZMVNBW-AZUAARDMSA-N 435.597 4.620 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@@H](C)C1)C(C)C 1296483841 DCVNGTRDGACMQQ-BBTUJRGHSA-N 427.618 4.598 30 10 IJEE C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1297432616 NFVQSNAOBSMTES-CQSZACIVSA-N 439.364 4.634 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C1 1299749853 DLLRIEWZFCXJKW-QFIPXVFZSA-N 429.515 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCc2cccnc21 1300273581 GDORNOSXJDZRLF-NLWGTHIKSA-N 433.531 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1300275310 SVWZHNTWZXWXIK-JQVVWYNYSA-N 440.563 4.897 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CCCC 1300876652 UVTTXGSRHQGKJQ-RBBKRZOGSA-N 439.604 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(F)c1 1300881290 NITXUDFHRCUVCR-GCJKJVERSA-N 439.510 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(C)(C)O)c1 1300905671 CHOMGPAQJZDIMJ-UHFFFAOYSA-N 425.964 4.672 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1300973458 XMKSWBVLFUCTBW-RBUKOAKNSA-N 440.519 4.737 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1301007113 CRGGZBIDIRKWGM-NRFANRHFSA-N 447.583 4.549 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1301136962 JAVXLSHWJYGGQC-GOSISDBHSA-N 437.579 4.670 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc2ccccc2[nH]1 1301165098 ZGJFQRARFFSVBZ-UGKGYDQZSA-N 437.588 4.722 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1301198136 BTQBAHKRWQLJIS-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1301554382 FXMWLRQRAQCTGS-QHAWAJNXSA-N 430.637 4.947 30 10 IJEE CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1306790660 HQHLFWHIGVDRRF-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE CC(C)[C@@H](CCN(C)c1ccc(C#N)c(Br)c1F)NC(=O)OC(C)(C)C 1306982053 KDKNYIXPWMIRGX-CQSZACIVSA-N 428.346 4.835 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nc2ccccc2c1=O 1307256007 RKFKWUWYKDFPSG-JTSKRJEESA-N 433.577 4.677 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3F)c2C#N)C1 1307400651 GQSQATVNTYAJLX-CQSZACIVSA-N 448.585 4.712 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H](c1cccc(Cl)c1)C1CCCC1 1307627754 DYAXKKIHXWSYBW-QHCPKHFHSA-N 433.943 4.857 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(Br)ccc1N1CCCC1)C(C)C 1310398312 ANMZLEFBYRGFQY-OAQYLSRUSA-N 449.437 4.869 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCC)c(C)n1)[C@@H]1CCOc2ccc(Br)cc21 1311028357 AHBIMOYYNYJLLR-QGZVFWFLSA-N 444.329 4.542 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)ccc1F 1350086611 GIEPVLTYLCSDBL-UHFFFAOYSA-N 444.553 4.507 30 10 IJEE CCN(CC)[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1 1354969774 CFDPXKDAIQIYDL-SANMLTNESA-N 427.548 4.950 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 1356461023 NSWACPZPNWTZCT-UHFFFAOYSA-N 448.544 4.759 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1C1CCCCC1 1358898142 NCSQCPJNGBALSU-XUZZJYLKSA-N 449.643 4.675 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)CC1 1358920855 JFZTUXFHJRJXMG-WZONZLPQSA-N 430.980 4.880 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1358934164 RYXVGOJHOUGXLV-DNQXCXABSA-N 449.643 4.670 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cc(C)on1 1358934673 JRGVMKRQJVVGIC-UHFFFAOYSA-N 434.327 4.510 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCOc1ccc(C)cc1 1359003267 FNIFEUAGPFEKSN-UHFFFAOYSA-N 445.386 4.616 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1359177013 XKGCGUXJQRUPRL-XMMPIXPASA-N 449.599 4.861 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1359184947 GQBFBCZYRTUNCK-GOSISDBHSA-N 440.548 4.533 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359205145 NPLJALUFTRPUMH-HXUWFJFHSA-N 437.975 4.931 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1359214735 LBJLLWUBQGANEG-ZDUSSCGKSA-N 426.405 4.807 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nnc(C(C)(C)C)s1 1359234057 BGYXYBFYAGDUBO-AWEZNQCLSA-N 442.658 4.951 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC[C@H]1C)C1CC1 1359246625 HAEBXWQCQYAZCS-NVXWUHKLSA-N 431.378 4.535 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359340627 SUVSNYIIBLUVPZ-INIZCTEOSA-N 429.977 4.504 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCCC1(C)C 1359476472 FJVZCPZAUCSSEC-OPAMFIHVSA-N 448.036 4.761 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@H](C)C#N)C1 1360007873 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CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](c2ccco2)N2CCCC2)cc1 1497828727 FFVTXEOHYVAUMK-DENIHFKCSA-N 432.572 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H](c1cccs1)N(C)C 1507819465 ZMLQSDIFLSLGMH-IBGZPJMESA-N 425.602 4.721 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)CCc1ccc(Br)cc1 1507843874 WUQSZHYMLAFCLZ-UHFFFAOYSA-N 433.394 4.580 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1507845176 BFUAIGASVIVFAW-UHFFFAOYSA-N 425.621 4.849 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1507857916 WYHNFYIKVAHZHI-QZTJIDSGSA-N 425.964 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1507914493 JSJSQCZTVTUXIB-JOCHJYFZSA-N 435.547 4.968 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C)c1ccccc1 1507925017 XGCZIKJCCORNMM-PUHATCMVSA-N 448.615 4.678 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1507938817 IFGXDGZXLRDKGC-HSZRJFAPSA-N 426.561 4.524 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1507945358 GCYKQMZNTWHZMZ-UHFFFAOYSA-N 425.483 4.632 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC1CCN(CCC)CC1 1508005600 YEBMPECPGXKRCL-XMMPIXPASA-N 437.632 4.834 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@@H]2CCCCO2)C1 1508118845 XMTNHRPDVBEEOM-RBUKOAKNSA-N 448.970 4.868 30 10 IJEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1514252932 CGSGEHLIAUUNHS-RDPSFJRHSA-N 435.597 4.943 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)(C)C 1517863270 HBSXKAWXBGPOOL-RXVVDRJESA-N 439.604 4.662 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc1 1523487209 YKZZPGMKTNYFSO-UHFFFAOYSA-N 428.488 4.945 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C)c1ccccc1 1537027499 YZSYEAVASVCWBM-JOCHJYFZSA-N 428.598 4.899 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1539053296 OSZYKZVGFSDUQR-CNNODRBYSA-N 442.991 4.880 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 1539076862 WEJHIOWENKZHON-UHFFFAOYSA-N 437.607 4.512 30 10 IJEE C=CCc1cc(C(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc(OC)c1OC 1539389924 VWKYFRVRLOOOKV-UHFFFAOYSA-N 428.492 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1cccc(OC)c1 1539546366 ISENSHPOZFLDJA-RUZDIDTESA-N 449.986 4.972 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC1CCN(Cc2ccccc2)CC1 1539557494 VPCQECYJIJRNIP-HHHXNRCGSA-N 433.644 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCCC[C@@H](SC)C1 1539647096 VGXKUKRXSMVGNG-SBHAEUEKSA-N 432.659 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1CCc2ccccc21 1539676945 ZLXDSTCPARERCU-HXUWFJFHSA-N 449.624 4.792 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1539684820 IXOZUKXEGDRQSJ-CTNGQTDRSA-N 439.604 4.842 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2CC(C)C)cc1 1540068590 SFYVWMKBTPYXJD-ZJSXRUAMSA-N 434.584 4.727 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1OCCC1(C)C)C1CC1 1540098594 FXDZWCCITCQUSK-HNNXBMFYSA-N 437.407 4.739 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)c1ccccn1 1540154084 OXQQLZITTALUPP-UHFFFAOYSA-N 439.567 4.886 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 1540586179 LKJPHDUAKJYTHC-UHFFFAOYSA-N 440.590 4.994 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccsc2)cc1 1540878701 FNCNGAUPVDYNMM-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1OC 1543517527 DBVAIXHNFLRFMT-XZBOQHEZSA-N 434.580 4.863 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F 1543968745 GTQAAKWYFAVMCG-QGZVFWFLSA-N 432.458 4.966 30 10 IJEE CCOc1cc(CCCn2c(-c3ccc(C)o3)nnc2N2CCC(C#N)CC2)ccc1OC 1547938667 BUXWSWXRXFPGFF-UHFFFAOYSA-N 449.555 4.627 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccoc1 1557510277 KZOCPVDGTVFTRQ-RUZDIDTESA-N 444.531 4.812 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 1558728217 RZBNCSUKTCKMFC-UHFFFAOYSA-N 444.434 4.740 30 10 IJEE C=CCN(C(=O)CN1CCC[C@@H](OC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1559662176 RZOKURPDWDNZPI-OAHLLOKOSA-N 440.396 4.747 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](c3ccc(OC)c(F)c3)C2)cc1 1562262968 FMLBLHPNXPIFLK-FQEVSTJZSA-N 437.515 4.670 30 10 IJEE C=CCC1(O)CCN(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)CC1 1564035202 YIOBKQBMDGHVGB-UHFFFAOYSA-N 435.446 4.505 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)cc1 1564732758 KYASQHXRLKFDOV-UHFFFAOYSA-N 446.503 4.508 30 10 IJEE C=CC1(CC(=O)NCc2ccc(-c3ccc(OC)cc3)cc2)CN(C(=O)OC(C)(C)C)C1 1565731682 OGWIJGRNTGXLRM-UHFFFAOYSA-N 436.552 4.792 30 10 IJEE N#CCCN(C(=O)CCC(=O)N1CCC2(CCc3ccccc3C2)CC1)c1ccccc1 1583595847 HHNKSPQVGKKUQM-UHFFFAOYSA-N 429.564 4.511 30 10 IJEE CCn1c(NC(=O)CSCc2ccc(Br)cc2)nc2cc(C#N)ccc21 1584062588 GSNRNBLPUFQSRB-UHFFFAOYSA-N 429.343 4.562 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC(F)(F)C1 1587921981 OIWQAHLSQIDEBJ-MRXNPFEDSA-N 427.524 4.882 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1 1589043389 YCHGTBCNNFYHHL-FQEVSTJZSA-N 440.544 4.532 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)CC(C)(C)C 1593711966 NKKHUCGMFYEFKT-UHFFFAOYSA-N 427.412 4.844 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(=C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594527835 CFWSUHUEEYONJI-KDURUIRLSA-N 429.609 4.808 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1)c1ccccc1 1594544834 NBZDCJXVQRZJLX-NVQXNPDNSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1594590978 HFDRNRMICJBQJT-HXUWFJFHSA-N 439.604 4.995 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@@H]1C)C(C)C 1595165723 LBROZPIOLPJYPB-SIKLNZKXSA-N 444.023 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)C(C)C 1595178144 GMYKZKSGBTWQEL-SANMLTNESA-N 433.600 4.938 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1602995102 CXQSJJXZJUEPDT-HXUWFJFHSA-N 436.947 4.569 30 10 IJEE C[C@@H](CCn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCCC1 1611400994 CFBXHGXHLHLHNZ-WNCULLNHSA-N 448.659 4.848 30 10 IJEE C=CCn1c(SCc2coc(-c3ccccc3C(F)(F)F)n2)nnc1-c1cnccn1 1613600895 LSECCUFDCLDTAH-UHFFFAOYSA-N 444.442 4.887 30 10 IJEE CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)N1CCCC1 1613624864 IACNGFQLFFHQRU-LJQANCHMSA-N 426.996 4.603 30 10 IJEE CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)NOCc1c(F)c(F)c(F)c(F)c1F 1615199755 QOVVJDVKLAGGES-RVLUYLEASA-N 437.714 4.887 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)c1 1616692238 UWNOOXKZONGMSR-KRWDZBQOSA-N 431.467 4.598 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 1616735205 SYYLUBFPYFIXQS-UHFFFAOYSA-N 435.307 4.598 30 10 IJEE CSc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)ccn1 1620230941 FJQQLBZJPNLGDT-UHFFFAOYSA-N 442.951 4.643 30 10 IJEE C#CCN(C(=O)Nc1cc(-c2ccccc2)ns1)C1CCN(C(=O)OC(C)(C)C)CC1 1623152238 MUGVIRPJKRUPBS-UHFFFAOYSA-N 440.569 4.677 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1623620799 RQAOMCFAOBWGIV-RYQLBKOJSA-N 426.479 4.990 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1627830000 YCDYHSLIDAMWJY-FQEVSTJZSA-N 428.451 4.547 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C)C(C)C 1628249116 LIMYVXVQYZQTBI-BXXSPATCSA-N 447.664 4.760 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(C)cc3OCCC(C)C)n[nH]2)c1C 1629713112 BTCIQLKVNHWBIS-UHFFFAOYSA-N 435.572 4.739 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C 1630084665 OQADJWPISDVUDH-IRXDYDNUSA-N 447.016 4.533 30 10 IJEE C=CCONC(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 1635640755 NENACPXBTPCOPH-GHRIWEEISA-N 446.503 4.595 30 10 IJEE N#C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCN1Cc1ccccc1 1636287033 AZEGKKOALPFTDV-OEMFJLHTSA-N 436.987 4.786 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2n[nH]c(CC)c2-c2ccc3c(c2)OCO3)cc1OC 1637989512 CQTMFHBSIYRBJA-YRNVUSSQSA-N 447.491 4.593 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1(C)C 1638023122 AXHGDRNQTUUCFT-JOCHJYFZSA-N 449.551 4.655 30 10 IJEE C=CCCC[C@H](NC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1)c1ccccc1 1638030443 WFNNZIONMRVSLV-XJUOHMSHSA-N 442.506 4.960 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(Cl)c(Br)c1C 1638563643 YHEKCZCUQUUBHR-GFCCVEGCSA-N 446.773 4.994 30 10 IJEE C=CCn1c(SCc2nc(C(C)(C)C)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640556722 YQVJEXDHVNHDSR-GFCCVEGCSA-N 430.599 4.742 30 10 IJEE N#CCCN(C(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(Cl)c1 1641222444 DHDIWSBKNBTQFS-JOCHJYFZSA-N 428.001 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1csc(CC)n1 1649538824 ICMGDNVHNWUXBW-KRWDZBQOSA-N 444.608 4.878 30 10 IJEE C=C[C@@H](C)Nc1cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc(Oc2ccccc2)n1 1651639070 WXFSWDBHKPQIGB-QZTJIDSGSA-N 439.560 4.749 30 10 IJEE Cc1ccc(Cc2sc(NC(=O)CN3CC=C(c4ccc(C#N)cc4)CC3)nc2C)cc1 1654015065 FCFQOLLLEUPXGM-UHFFFAOYSA-N 442.588 4.950 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)C2(CO)CCCCC2)cc1C 1654740951 BSIWWSHPASRXPV-SANMLTNESA-N 433.596 4.824 30 10 IJEE C=C(Br)CSc1nnc2n(-c3cccc(C)c3C)c(=O)c3ccccc3n12 1656161015 BQNPDPCOCDVXJP-UHFFFAOYSA-N 441.354 4.651 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)c1ccc(Cl)cc1 1659720715 HODFMQJZJOUASR-HXUWFJFHSA-N 439.943 4.861 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 1664590474 GRNKKXVFXIDWPI-CQSZACIVSA-N 438.471 4.522 30 10 IJEE CC#CCN(C)C(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1668314860 LVQYKQRVVUOJQI-UHFFFAOYSA-N 441.329 4.999 30 10 IJEE CC(C)[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1Cl 1668957944 GOPQMDWHZMHIIJ-RWWKDMOOSA-N 426.948 4.993 30 10 IJEE C=C(C)[C@@H](NC(=O)N(C)CCCOc1cc(OC)cc(OC)c1)c1ccc(F)c(F)c1 1671852479 ZHWJSVCJWVGWRJ-JOCHJYFZSA-N 434.483 4.710 30 10 IJEE N#Cc1ccc(CN(C(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)C2CC2)cc1 1671946118 BAQCLRRXWNCKLU-UHFFFAOYSA-N 431.517 4.588 30 10 IJEE C=CCCC(C)(C)CNC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1675762407 CXEMMGJDOBDZFV-UHFFFAOYSA-N 440.554 4.509 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 1677649730 HXELXHNJXIUDME-LJQANCHMSA-N 436.519 4.709 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 1678457053 ODLMWIZTIVNXDG-LJQANCHMSA-N 446.320 4.759 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 1679244353 OWLXTERAEJLMIU-IBGZPJMESA-N 445.382 4.537 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C 1680020050 WLHFRCFIHCXZBS-UHFFFAOYSA-N 435.613 4.635 30 10 IJEE C#CCN(C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682181587 UBPRSWRBMWQVGO-UXHICEINSA-N 433.637 4.883 30 10 IJEE C=C1CCC(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(OC)cc2)CC1 1687543726 DOMDXSACZIWAJO-JOCHJYFZSA-N 443.588 4.745 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(F)c(C)c1 1690005935 FBLMKAGBOLJSIJ-UHFFFAOYSA-N 432.568 4.844 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CCCCC1 1690222261 PZIIQIHYFAVJNR-UHFFFAOYSA-N 434.338 4.921 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CCC 1690238324 HXDIDSUSRPHZFI-RFWXGWTQSA-N 434.588 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(CC)CCc1cccs1 1690241563 UIQCAMZCRZTIFA-NQIIRXRSSA-N 426.586 4.958 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CCOC)CCC2)CC1 1690412052 BQSBICIPMUISSY-UHFFFAOYSA-N 430.543 4.756 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCOCC2(CC2)C1 1690453756 HYWAQNMXAKMQHW-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1690496622 UHQVBZOVAHDWFS-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(C)cc1 1690579750 RRUXVBMXGSUGCJ-UHFFFAOYSA-N 446.624 4.945 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1cccs1 1690643681 NYUMZXBMEDMNKO-MRXNPFEDSA-N 431.606 4.838 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1690736367 BOAPIJUPCHBCDQ-HXUWFJFHSA-N 441.626 4.979 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1690751274 YCOUVYALOXTANL-SFHVURJKSA-N 430.618 4.657 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C2CC2)C1 1705511452 VETLTNUGKHUGCY-MRXNPFEDSA-N 431.353 4.887 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cccc(C)c1 1705576883 SHWOZKZUEZRUNQ-FQEVSTJZSA-N 444.604 4.592 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)cc1C 1705607957 XXDNTGJQIOYVOM-UHFFFAOYSA-N 447.377 4.919 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)OC 1705677226 GOWVUDGMSDYLAP-OAQYLSRUSA-N 437.371 4.581 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](c3nc(C)cs3)C2)nnc1C(C)(C)C 1705707880 UEQRIJXWIXDBAD-OTWHNJEPSA-N 429.634 4.706 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1705726857 LDBKPRAKLOKFES-UHFFFAOYSA-N 429.634 4.774 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC(CC)(CC)C1 1705795578 MYANZFCXUMXCOJ-OALUTQOASA-N 436.666 4.716 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705799048 KBCOSKYQGVGUFT-PKOBYXMFSA-N 429.634 4.942 30 10 IJEE C=CCCCCn1c(N2CCN(c3ccc(C#N)cc3Cl)CC2)nnc1C(C)(C)C 1705809926 IFOYALGDMOIKGM-UHFFFAOYSA-N 426.996 4.784 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705812141 RQVBLFGLYFIWSZ-AZUAARDMSA-N 428.552 4.776 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@@H]1C 1705827367 CEBZEUSRQWBUIO-HOTGVXAUSA-N 449.393 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C(=O)NCC)cc1 1705836790 GBIMQEUBALGGTE-KRWDZBQOSA-N 449.624 4.552 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1705861725 NCDUVQNJKQBADN-FPOVZHCZSA-N 439.604 4.679 30 10 IJEE CC[C@@H](Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C)N1CCCC1 1708811926 DFLTXCVIIBEAET-QHCPKHFHSA-N 432.616 4.615 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1709292385 DSHWWJKYGSAXBI-UHFFFAOYSA-N 446.502 4.967 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](c2ccco2)C1 1722324268 ODTKPTBJBHYISF-UXHICEINSA-N 434.540 4.817 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCCN1CCC[C@H](C)C1 1722394325 VCGKTIVGCYBVPY-NRFANRHFSA-N 438.019 4.574 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCCCN1CC 1722420697 FCCMJTYQNJIBQP-DEOSSOPVSA-N 437.607 4.664 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C2CCC1(C)CC2 1722478936 CNYAXNXDXCMAKT-ZUIJCZDSSA-N 435.341 4.987 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)CC1CC1 1722488964 DXFURGDCRXASSN-UHFFFAOYSA-N 425.758 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1c(C)noc1C 1722513574 AMMVVSSFSZCNPF-HNNXBMFYSA-N 429.515 4.958 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC2CC2)CC1 1722542818 ICDVUUDDZOFXCF-MRXNPFEDSA-N 434.943 4.705 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN(CC)C(C)C)CC1 1722562789 LNAILWICCWWHAG-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2(COC)CCC2)CC1 1722564383 PCJQENAWEALORD-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1722577691 NSVMMDUKLUNOIO-PZJWPPBQSA-N 430.980 4.616 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCCCC2)CC1 1722605838 UPMTXNDSRJWXSB-UHFFFAOYSA-N 437.632 4.689 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccco1 1722606226 IDKWDWHHEZUIIK-KRWDZBQOSA-N 425.558 4.560 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccsc1)N(C)C)C1CC1 1722653860 MMXXMRPNDFCOSU-QHAWAJNXSA-N 443.661 4.716 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)CCCO1 1722660741 FMSLRVRRHPCDKM-QHCPKHFHSA-N 441.576 4.535 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@](C)(O)[C@@H](C)CC 1722666101 JNXRGHOMZDMTTD-KKSFZXQISA-N 433.394 4.683 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOC(C)(C)C)C1 1722713278 CQQLKADMNWFCNB-PKOBYXMFSA-N 444.645 4.728 30 10 IJEE CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1726899297 HNZSELNMMXQXDX-UYAOXDASSA-N 444.624 4.569 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1727707959 AUTQWQKZNNZLJS-HKUYNNGSSA-N 447.505 4.537 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1728227106 DWFCGSZRFLUKHH-RBUKOAKNSA-N 430.556 4.531 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1sccc1Br 1740536494 IATKBQIFRZDJOX-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1740567821 QDTMLTITVUVFBE-QFIPXVFZSA-N 438.641 4.726 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@H](C)C1 1740636060 PAKHALDFIBMZGC-SFTDATJTSA-N 428.536 4.626 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1noc2c1CCCC2 1740675962 ZILNPHFDTIWLTH-UHFFFAOYSA-N 441.988 4.598 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC1(C)C 1740740804 JNSLWTULUFZNIB-UHFFFAOYSA-N 425.758 4.895 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CCCC1 1740760798 RVZYTHBEMQWOHK-FDDCHVKYSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1740771312 AHDIHOYMAGYMRN-FYYLOGMGSA-N 432.616 4.976 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1C1CCC1 1740788966 AHCCPLJCCHMVMF-HXUWFJFHSA-N 430.980 4.969 30 10 IJEE C=C(C)COCCn1c(N2CCCC[C@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1740799700 STBRKPBLNRYCOP-QFIPXVFZSA-N 438.616 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCCOC1 1740846355 WARLVIFZWIVSKQ-FQEVSTJZSA-N 434.588 4.596 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCSC1 1740855978 NUUURJFZAOOUQF-QGZVFWFLSA-N 438.601 4.530 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@H](C)C1)C1CC1 1740915496 JAOLSZZINNJYLH-HCXYKTFWSA-N 429.609 4.640 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2ccco2)C1 1740999904 RCBGYGGEIPGZCK-LJQANCHMSA-N 430.961 4.689 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1741308836 HERCYJJPPNHCFZ-YADHBBJMSA-N 448.036 4.761 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1741409056 AMKJQTVWLVCZHM-RFWXGWTQSA-N 427.980 4.790 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1745249159 GQNITXGVWIAENW-ZCVJKFOLSA-N 439.604 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ncc(CC)s1 1748640981 CDKLFOVPPZRBNB-LSDHHAIUSA-N 429.977 4.597 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OCC)C1 1748708944 LPJIYYUORMKZBF-KRWDZBQOSA-N 431.378 4.516 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C1CC(C(C)(C)C)C1 1748956439 SCAGAGDSHWATGJ-UHFFFAOYSA-N 445.405 4.791 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1749072171 HVWIEQMZFXNEOC-IPVFLDMMSA-N 425.665 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749118506 GVLFBQCRFQVICN-TWWGPRNNSA-N 428.577 4.854 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1749239410 JOLWSMXHGYGWIU-DENIHFKCSA-N 428.552 4.748 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN(CC)CC)CC1 1749335138 PHPLLYMHQOQJDQ-UHFFFAOYSA-N 432.012 4.741 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2Cc2nccc(C(F)F)n2)CC1 1749345262 ALPQBPZTVWGZFE-UHFFFAOYSA-N 438.526 4.632 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(C)(C)C)CC1)c1ccccc1 1749382655 OGTNXOGUIZDMOA-JOCHJYFZSA-N 432.616 4.944 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1749451648 BWAOGFGFLSMRSI-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cccs1)C1CC1 1749510929 BNODAHUCTKKLRS-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCCCNC(=O)OC(C)(C)C 1760099070 CAXKHOHBBPFVEG-PZJWPPBQSA-N 439.604 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760107354 SSEAZNTVZRFIKE-DLBZAZTESA-N 445.995 4.702 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1760159090 ZDRHSYOZMUKRBZ-HNNXBMFYSA-N 437.371 4.581 30 10 IJEE C#CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(Br)c1 1760161491 HSSDDHVTGWQHSN-INIZCTEOSA-N 447.287 4.641 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1760280015 GYBRHRRTOVKKDR-LJQANCHMSA-N 430.643 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCSCC(C)C 1760298868 YABTUSVENAFRGW-XMMPIXPASA-N 426.630 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1760330167 UQJFQBVGYDAKAL-RTBURBONSA-N 444.551 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1ccc(C)cc1 1760330267 WWJBFKPCQRUVJV-BWKNWUBXSA-N 426.605 4.833 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCCC2)C1 1760417101 VNQTWYUGKQVYKD-WOJBJXKFSA-N 430.637 4.948 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@@H]1C 1760438033 WZWGRLRTPWPQPT-MOPGFXCFSA-N 434.588 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1nc(C)cs1 1760454799 SZWSCVHTDYUTKI-ZDUSSCGKSA-N 432.391 4.898 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@@H](c1c(F)cccc1F)N(C)C)C1CC1 1760476055 FIYCYQIZQZQOGF-NRFANRHFSA-N 429.559 4.747 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC[C@@H](O)C1 1760490886 MLUOZRNPXVEXRZ-CMKODMSKSA-N 426.630 4.861 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)c2cccc(C)c2)C1 1760546273 LZXZFAXYAIMPJR-AVRDEDQJSA-N 437.613 4.527 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 1760563878 HFZKBMQWBDSPAI-SFHVURJKSA-N 425.602 4.597 30 10 IJEE CN(C)C1(Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)CCCC1 1766900912 IDPAJZAXNOSRMY-UHFFFAOYSA-N 426.996 4.603 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCc1sc(C)nc1C 1768314163 FFPZASHCDRLPPV-ZDUSSCGKSA-N 444.992 4.519 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)C1 1768359550 DJKYDAXLDRQTNP-LEWJYISDSA-N 439.629 4.744 30 10 IJEE Cc1cc(Br)cc2c1N(Cc1ccc(OCCC(C)C)cc1)C(=O)C2=NO 1772729021 QCNCPUZCOLLAAY-UHFFFAOYSA-N 431.330 4.908 30 10 IJEE CC1(C)[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)[C@@H]1/C=C(\Cl)c1ccc(Cl)cc1 1772793500 NUKASACQDZGNAX-BYOZRPMQSA-N 430.287 4.946 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](CC)C(=O)OCC)c1 1858737005 LCDWAYAPZYRPHD-LJQANCHMSA-N 425.529 4.892 30 10 IJEE CC(C)Oc1ccc(CC(=O)Nc2ccc(CC(=O)Nc3ccccc3C#N)cc2)cc1 1859132696 PXHZSZRARTWBCU-UHFFFAOYSA-N 427.504 4.708 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1C#N 1859741942 IPBRJNWKFQVLDF-UHFFFAOYSA-N 435.823 4.960 30 10 IJEE Cc1ccc(/C=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc2C#N)cc1 1860827738 AXWVSSGHXMWOID-BOMYWPOKSA-N 448.526 4.727 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2)cc1C 1862396403 BANMPDFLILJVDY-XMMPIXPASA-N 443.499 4.661 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1862547086 MGIDEFUCWRLBLU-HSZRJFAPSA-N 446.503 4.995 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 1862673926 HJOPVAFWNVNNDH-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862674070 RYVZQAKCUVYSEM-JOCHJYFZSA-N 435.426 4.622 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862684291 TXXWMIMVZHPRTC-OAQYLSRUSA-N 427.472 4.610 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862687184 HMLHRLATQAYPSD-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)OCCO2 1862720433 WHPKVRBXDYADRC-QHCPKHFHSA-N 429.472 4.598 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 1862725114 BBVRVVUFJQIFFW-HSZRJFAPSA-N 447.918 4.968 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)cc2)C1=O 1862894657 ZCENXVBVRTULDD-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(F)c3F)=C(c3ccccc3F)C2=O)cc1 1862925802 GWFLYNSOOFQYQR-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE COc1ccc(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862960696 MGYTUIXTDFTQKW-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE N#Cc1c(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)sc2c1CCCC2 1865875387 SSAABDONVHBNAS-RCCKNPSSSA-N 427.529 4.908 30 10 IJEE C[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866772025 KRLZGVYWOWVCTM-MWTRTKDXSA-N 433.458 4.502 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)c(C)c1 1867093163 YPCCDRHAYAVTTN-SANMLTNESA-N 439.515 4.634 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2c(Cl)ccc(Cl)c2OC)n(C(C)(C)C)n1 1870000689 SXROZYXFZYIVGW-UHFFFAOYSA-N 438.359 4.779 30 10 IJEE CCc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1870152589 APDIDMABAYLUDH-SFQUDFHCSA-N 449.514 4.932 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cccc(OC)c2)cc1=O 1870809064 MYFSCCIAINCBCP-UHFFFAOYSA-N 429.520 4.758 30 10 IJEE C#CCOc1cn(CCCCCCO)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871009132 GBPWVJLGSQVAPR-UHFFFAOYSA-N 446.547 4.817 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 1871359720 XVPAZRJWHHEUPP-VFCVOOQNSA-N 437.879 4.743 30 10 IJEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871377575 RVOKZEJMBLJYDB-YAWPGIFISA-N 431.375 4.969 30 10 IJEE CCOC(COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)OCC 1871415945 CKXGDIRBAZYQRZ-ODLFYWEKSA-N 433.298 4.843 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871841195 QRHCWRSFCFQJID-HSZRJFAPSA-N 444.597 4.803 30 10 IJEE CCCCCCCCNC(=O)Cc1nonc1OCC(=O)Nc1ccc([C@@H](C)CC)cc1 1872646199 YWEKRIIWPPEQDO-SFHVURJKSA-N 444.576 4.620 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccc(C)c1 1874209674 GEARASLNEIUYED-RVWJGDDESA-N 445.592 4.653 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874279235 ANZCXJUNSUMBSX-OEAKJJBVSA-N 428.945 4.799 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccco1 1874312828 OXYNDQUJHFDOJL-MFKUBSTISA-N 436.512 4.979 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(N(C)C)cc1 1874314191 HDTBSSZGDQCFCK-PCLIKHOPSA-N 435.597 4.688 30 10 IJEE Cc1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCC(=O)OCC(C)C 1874374011 CPJCTZVEKPWBJV-YDZHTSKRSA-N 442.610 4.607 30 10 IJEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874407354 SAERMPUGNQDSEB-ZVHZXABRSA-N 434.009 4.555 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccccc1F 1874505485 ZUYURFCMRBXVMD-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cn(C)c2ccccc12 1874529187 WGCYHCWNDXNTFR-DHRITJCHSA-N 446.580 4.562 30 10 IJEE COC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1Br 1874636455 AWXHHBCOEAFTCU-FNORWQNLSA-N 433.298 4.522 30 10 IJEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c(C)c1 1874706110 PKMCBCZDNUJCRT-VQHVLOKHSA-N 444.483 4.955 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)cc2OC)CSc2nnc(CC)n21 1874835434 VHDXPPNPFQRPLT-LJQANCHMSA-N 446.617 4.920 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 1875132446 SGXRCGSKXKXMGS-IZZDOVSWSA-N 432.388 4.927 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1890933388 QFNKCZMZBXIWSB-CYBMUJFWSA-N 449.370 4.999 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCc2cc(Br)ccc21 1922075218 UVFKEUQQHWLFDB-PKTZIBPZSA-N 430.386 4.724 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1922082578 IFRKJKDZIOIJLV-JCYRPKCISA-N 446.632 4.526 30 10 IJEE N#Cc1csc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1928769462 FXKZKUJZQIRTBT-UHFFFAOYSA-N 433.533 4.570 30 10 IJEE CC1(C)C[C@@]1(C[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952414312 FFHHGAWWKMZFCC-MYYSRTQBSA-N 425.550 4.715 30 10 IJEE C=CCC1([C@@H](NCCC)c2nc(CC)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2143951560 NJANPMCXHVXQOE-INIZCTEOSA-N 441.414 4.589 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)C1 2181155163 NFVHPYPSLHOLGI-KGLIPLIRSA-N 436.350 4.590 30 10 IJEE C#C[C@H](C1CCC1)N(C)C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2202417911 AHYYPRHTWPMKCI-GOSISDBHSA-N 435.362 4.978 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1C(C)C 2224257461 GRKHJWXOEJEUED-RHSMWYFYSA-N 429.403 4.737 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CC1(C)C 2235720239 PBONZKZTHYVERN-GCJKJVERSA-N 435.406 4.862 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2282146538 ALKVALRSCLSQCC-QFIPXVFZSA-N 449.400 4.504 30 10 IJEE C=CCC1([C@H](Cc2c(F)cccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 2289566331 UZCQDNUDZUEGSZ-SFHVURJKSA-N 441.385 4.922 30 10 IJEE COc1cccc(C=C2Oc3c(CN4CCCC4)c(O)c(CN4CCCC4)c(C)c3C2=O)c1 2293039451 SSFBNZQGXCAXBU-UHFFFAOYSA-N 448.563 4.517 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2296268075 ABXMATJYIPWRME-LNKGRISISA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@@H]21 2296278179 AYDFIHKINUWGNR-LMCOJAPRSA-N 433.390 4.696 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2296305168 PWMXYDNTEDBAJP-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE C=CCOc1ccc(C=C2C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC 2297296567 FVBVYAFBZSBRCQ-UHFFFAOYSA-N 427.298 4.829 30 10 IJEE COc1c2c(c(OC)c3occc13)O[C@](O)(C(F)(F)F)C(=CNc1ccc(C)cc1)C2=O 2297472542 AWEHTLPFWQAHGI-NRFANRHFSA-N 449.381 4.580 30 10 IJEE CCCN[C@H](C#CCSC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2299620970 FPEMRINRPLPJDM-RCZVLFRGSA-N 446.657 4.565 30 10 IJEE COc1cc(C=C2SC(=Nc3ccc(C)cc3C)NC2=O)cc(Br)c1O 2313514011 JJMPCVDPOOOQAK-UHFFFAOYSA-N 433.327 4.672 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OC)c2)c1 2314429389 GGJHZSMQQLNFIS-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Cl)cc(Br)c1F 2315463491 RMSVVPGXEUMLJX-HOCLYGCPSA-N 433.749 4.809 30 10 IJEE COc1cc(C=NNC(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1 2318776697 QEHZUHURMVZSAQ-UHFFFAOYSA-N 439.968 4.926 30 10 IJEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCC(=O)Nc1cccc(C)c1 2322703684 IETKPYJHBQZCDM-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)c1 2323494742 YSAGYJBHFODVHY-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)NCc1ccco1 2323767910 MHOLWERLWIWNKE-UHFFFAOYSA-N 439.895 4.923 30 10 IJEE COc1ccc(-c2csc(NN=Cc3cc(OC)c(OC(C)C)c([N+](=O)[O-])c3)n2)cc1 2323851952 APNNMQQMDIDDKZ-UHFFFAOYSA-N 442.497 4.969 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(C(C)C)cc1 2325918215 PTDFAGRQYOVSDD-QFIPXVFZSA-N 447.608 4.912 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccco2)c1 2330530987 QRMNHYZDFFFTJM-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccc(F)cc1)Nc1ccccc1F 2330631813 GLESRXJCIXDPON-UHFFFAOYSA-N 449.486 4.836 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(F)cc2)cc1 2331046430 WCMYNHHCXPCRIZ-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)COCCOC 2331329065 UZJAIOSZFVEYPB-UHFFFAOYSA-N 438.520 4.505 30 10 IJEE CCN[C@@H](C#Cc1cccs1)c1ccc(Br)cc1I 2338249051 JKVYWAWJXANJKY-HNNXBMFYSA-N 446.151 4.818 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578731 LGSHZJMBUBBBEM-SWDTZWKESA-N 443.397 4.610 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1C 2342474573 MHGRDYPLJJZGTN-QGZVFWFLSA-N 444.381 4.959 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364735011 WJTKNLJDIPYXDZ-OALUTQOASA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(O)C#Cc1ccc(Br)cc1 2381035315 WNUSNYPQVMUVTN-DEVSCXNHSA-N 434.374 4.635 30 10 IJEE Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1[N+](=O)[O-] 21255716 CFKJPDHLQRMEGG-PZJWPPBQSA-N 448.519 4.942 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 35724867 UYTZXRMWSYJKEO-HNAYVOBHSA-N 448.552 4.560 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2sc(Br)cc21 37543281 IUCJIMUPRQQQPY-UHFFFAOYSA-N 433.327 4.700 30 10 IJEE C=CCOc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCC)cc1OC 38706034 ZEFYTJCBYGZKFF-VWLOTQADSA-N 447.535 4.928 30 10 IJEE CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 39372810 PVHMQDVAHBSABQ-NRFANRHFSA-N 425.484 4.828 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccc([N+](=O)[O-])cc1 59791893 DIQYHBAKDWYBFG-UHFFFAOYSA-N 447.879 4.563 30 10 IJEE CCCCOc1ccc(C(=O)/C=C\Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 103029450 GCZBWONAEVAIJV-NXVVXOECSA-N 442.581 4.849 30 10 IJEE O=C1/C(=C\Nc2cc(F)ccc2F)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 103133437 UKFLSQGLFSJWAT-WOJGMQOQSA-N 432.473 4.513 30 10 IJEE CCCOc1c(Br)cc(C(=O)N[C@H](C#N)c2ccc(F)cc2F)cc1OC 111219874 XQXQJYXNPQRMHW-MRXNPFEDSA-N 439.256 4.519 30 10 IJEE COC(=O)c1cc(Br)cc(Br)c1NCc1ccc(C#N)s1 161119946 GEXAFAXQYRTKSS-UHFFFAOYSA-N 430.121 4.543 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(OC)c2)cc1 169929016 VFAUGCBFRQCQDM-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N(C)C2CCN(C)CC2)C1=O 170001578 REBJIOVVPAHBDF-UHFFFAOYSA-N 439.644 4.770 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 170049823 RONKVFZOVFNNEC-RUZDIDTESA-N 441.483 4.560 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170116883 BSWUDRWWICFAPE-NRFANRHFSA-N 441.911 4.878 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143576 TYTIQRBIOKRYPS-XUZZJYLKSA-N 449.547 4.848 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)c1 170167954 NYMKDUVSHCFMOL-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccn1 170176076 DXBCWQIPLPEINL-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)ccc1Cl 170176098 AWERAQFBCUHOSQ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCO2 170203873 MVXYWTHFLKVRRY-JOCHJYFZSA-N 446.890 4.843 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)ccc1OCC(C)C 170212207 XESVOJLITMLPQZ-QHCPKHFHSA-N 434.536 4.946 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(O)c(Cl)c1 170219564 RVHASFHSGSFRAU-HXUWFJFHSA-N 429.900 4.741 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)c1 170259779 QZSXPFGRNNERAA-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1CCOC(C)C 170270438 PQCVTURILDALDB-HSZRJFAPSA-N 437.536 4.786 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301809 ZOBHSZHSIXVLBL-JOCHJYFZSA-N 431.444 4.716 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(C)o1 170306015 JXPRKOZIDZPRNH-FQEVSTJZSA-N 443.377 4.797 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC(C)=O)cc1 170320192 DXVUWOXRUYBPPN-JOCHJYFZSA-N 433.460 4.737 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 170434614 RMODIZCJKLIWFE-QHCPKHFHSA-N 439.508 4.618 30 10 IJEE CCOc1cc(Cl)c(/C=C2/SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 252640030 YPUGYEKMGPAKJC-QWQVIQCHSA-N 446.912 4.679 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460798794 XEYWZBJZXACCAV-KRWDZBQOSA-N 435.450 4.988 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460945643 WGUJATHYDKZMQX-SANMLTNESA-N 448.636 4.985 30 10 IJEE C=CCn1c(SC[C@H](O)CC(F)(F)F)nc2cc(-c3ccccc3)sc2c1=O 470039139 RASNSUUBZYNUHK-CYBMUJFWSA-N 426.485 4.716 30 10 IJEE Cc1csc(NC2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)n1 474820870 IKZFCWLIVUKERS-UHFFFAOYSA-N 432.549 4.619 30 10 IJEE CCOc1cc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526606621 HOVPYQXJCARZPP-HSZRJFAPSA-N 430.435 4.859 30 10 IJEE COc1ccc(C)cc1NC1=C(Sc2ccccc2)C(=O)N(c2cccc(C#N)c2)C1=O 526636269 LPHRSIJVMXQCCP-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCCCN(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 549127853 GNGRXOCNJWPPDK-UHFFFAOYSA-N 442.611 4.813 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 558982963 KPAQSFJOZBAKJS-FQEVSTJZSA-N 448.596 4.762 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 562033079 QCTVHMBLEJKRQP-UHFFFAOYSA-N 431.565 4.900 30 10 IJEE COc1ccc(S(=O)(=O)Nc2cccc(CNc3ccc(Cl)cc3C#N)c2)cc1 609670644 FMVZIVZPDCBZLM-UHFFFAOYSA-N 427.913 4.633 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 684803795 YFZWFGUULAPYFX-NUEKZKHPSA-N 435.284 4.723 30 10 IJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693698923 UWTYVSLASLGFLC-WNCULLNHSA-N 441.660 4.964 30 10 IJEE CCCN[C@H](CC#CCOC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 698943677 DREAGPZGRODFJT-GOSISDBHSA-N 425.367 4.877 30 10 IJEE CC1(C)OB(CCC[C@H](N)c2ccc(I)c(Cl)c2)OC1(C)C 713789397 OGPWZUUFHAUEQH-AWEZNQCLSA-N 435.542 4.817 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 735969553 UWFOLLJKJHCAML-SFHVURJKSA-N 449.910 4.986 30 10 IJEE COc1c(C(=O)OCc2cc(Cl)ccc2OCC#N)sc(C)c1Br 745502747 CLJGWKIHJQZKMX-UHFFFAOYSA-N 430.707 4.740 30 10 IJEE N#Cc1cc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)ccc1N1CCC(O)CC1 762242566 SDQRLTGEQJUPKJ-UNOMPAQXSA-N 449.860 4.757 30 10 IJEE COc1ccc(C=Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccccc12 1084155495 XSNZNPKQNCAYPV-UHFFFAOYSA-N 446.532 4.807 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)OC1CCCCC1 1084310476 BORKHSSMVZQQJW-UHFFFAOYSA-N 428.345 4.526 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](C)Cc2ccc(OCC)cc2)CCCN1C(=O)OC(C)(C)C 1129625412 AZGKUHWBIOPJIY-CLOONOSVSA-N 430.589 4.726 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2noc3c2CC(C)(C)CC3)s1 1133293618 WSHXTFLWPZQTCY-UHFFFAOYSA-N 426.007 4.658 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@](C)(C#N)CC 1136560388 LSQQTQJJSAOYLF-OZXSUGGESA-N 431.536 4.668 30 10 IJEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)C[C@H](CC#N)c1ccccc1 1162711969 FFQIQZSXPDEJIR-CTNGQTDRSA-N 425.573 4.712 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](c3ccccc3)C2)n(-c2cccc(F)c2)c1C 1194533487 BTOIEJVUEPNBAT-NRFANRHFSA-N 430.527 4.923 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)c1ccccc1 1202766608 GBQMRVBUUASTBW-OAQYLSRUSA-N 427.570 4.655 30 10 IJEE C[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1(c2ccccc2)CCCC1 1226515366 FGKIOLYWSOJEPY-BVVFMGSASA-N 432.568 4.843 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286334829 ZBTGHSQKVPCEEQ-XZOQPEGZSA-N 433.600 4.794 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC2CCCC2)CC1 1286357976 FHIWTOCEZCGMKI-FGZHOGPDSA-N 428.621 4.538 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1286419658 CFCGVLKBBBQOON-GVAUOCQISA-N 432.612 4.734 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CCC)CCc1cccs1 1286537385 AMIUQIOKYJMLTJ-INIZCTEOSA-N 439.423 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)c1ccccc1 1286581629 MMFIOAZNZVJWBH-NRFANRHFSA-N 445.615 4.658 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](OC)C(C)C)CC1 1286656282 NCAAMRDOLYCUAK-IBGZPJMESA-N 433.394 4.781 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286686006 ZVPPCAFBULADRE-SFHVURJKSA-N 442.514 4.630 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=C)Cl 1286765059 LDPLELKDEOHRSN-UHFFFAOYSA-N 429.977 4.768 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccnc(SC)c2)C1 1286800652 OKASUYFSEKRZKW-FGZHOGPDSA-N 449.624 4.767 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCOC2(CCCCC2)C1 1286834319 DFVJAHOTPRSMRF-UHFFFAOYSA-N 442.629 4.624 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1300376051 FGBSTGJKZCRNDD-SSGKUCQKSA-N 438.591 4.942 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1 1300376828 OTGQXTPLMSOWLV-AQNXPRMDSA-N 429.609 4.636 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1300446750 SADVYFCNCHBECS-GHTZIAJQSA-N 440.016 4.813 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1300763451 WKDICPHYSPOHNT-HXUWFJFHSA-N 434.556 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C)CCCC 1300788079 QTBOHQIOGMLCRP-NTKDMRAZSA-N 444.023 4.796 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](CN(CC)CC)C1 1300936782 KVWPBERTVOKOCX-OALUTQOASA-N 427.662 4.876 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC(C)(C)C1 1300950692 MVEMSURZKMVLJO-OALUTQOASA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2c(C)noc2C)CC1 1301112157 LWLNLSWVULVMQJ-UHFFFAOYSA-N 442.361 4.763 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301181680 AJWOKULXWNEWHU-UHFFFAOYSA-N 437.975 4.838 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1301279247 ZJEXJCFULSWRMF-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCC1)C1CC1 1301313581 BTHDFBMJQOWUHD-SFHVURJKSA-N 429.996 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ccc(OC)nc1OC 1301362568 FZXVXWDPJMMAAU-UHFFFAOYSA-N 441.601 4.581 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1 1301363043 NDHQPRKNNBLMFZ-CYFREDJKSA-N 444.645 4.758 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCCCCC1 1301373008 QYQOJAKKHCSVFQ-UHFFFAOYSA-N 445.405 4.971 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@H]1CSCCS1 1301402196 KJUQXNYCYFRBCL-FQEVSTJZSA-N 430.687 4.950 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F 1309489063 PRGDHFGOEWTBOB-OAHLLOKOSA-N 437.117 4.548 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 1312725944 MRBBRTFDQZFPJP-XMMPIXPASA-N 432.545 4.604 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 1348634792 VRNBEJPEQCOLMW-MBSDFSHPSA-N 438.524 4.656 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N1CCCSC1=Nc1ccccc1 1349450036 UVKJQXUVFQGFHK-HNNXBMFYSA-N 438.578 4.610 30 10 IJEE C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)C[C@H](C)O1 1353138395 BWXSQQAKNNDKRT-ROUUACIJSA-N 428.492 4.611 30 10 IJEE C#CCC(C)(C)C(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 1355188583 IZOLRHVNMWHXKR-UHFFFAOYSA-N 445.426 4.871 30 10 IJEE C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@@H](C)O1 1357218830 CLGCIEXRGBGZRN-CALCHBBNSA-N 441.959 4.622 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@](C)(CC)O1 1358939643 ARSIEZDGZWPLKO-GJZUVCINSA-N 431.584 4.770 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1c(F)cccc1F 1359096359 AFEFRAYZYFLISD-IIBYNOLFSA-N 427.499 4.559 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359102222 YMWIXMWHUBGHNQ-YNVMFWSZSA-N 436.572 4.639 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1359119212 BWUVEZUJCDZUPN-CQSZACIVSA-N 432.849 4.861 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2CC(OCC)C2)CC1 1359179943 LVFBIFSVYTXOBM-UHFFFAOYSA-N 430.543 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC[C@H]1C 1359184733 YEMMSYAIZLHOAN-QZTJIDSGSA-N 430.618 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1359186822 UJERATZDBVSFKP-LJQANCHMSA-N 438.645 4.831 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 1359194247 RQDVMXNIUCUBNL-GBXCKJPGSA-N 449.643 4.893 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)CC(C)(C)C1 1359202947 FTZQDLJXGKLUPH-HXUWFJFHSA-N 437.636 4.681 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCCN(c2ncccc2F)CC1 1359212456 MMIRGHOARMMIOP-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1359234333 LOZPBOXHYXCGAH-UNMCSNQZSA-N 432.597 4.584 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@@H](CN3CCCC[C@H]3C)C2)cc1 1359308429 OCTNEWFIRXLVCS-GGAORHGYSA-N 437.632 4.544 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@H](CC)C1 1359345865 STHZQOYEWSHPLP-LJQANCHMSA-N 432.659 4.725 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F)cc1 1436239648 QRNZVALFAJSUFT-MSOLQXFVSA-N 438.446 4.792 30 10 IJEE C=CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2)C(=O)OCC 1447548361 FVVZYASKQGIMHD-QWYDYZLZSA-N 430.504 4.942 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 1466816245 CATIODDUNIOINZ-DOMZBBRYSA-N 437.256 4.635 30 10 IJEE C#C[C@@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1468173402 OGNSOMNSAHDCJQ-IGKIAQTJSA-N 432.564 4.858 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)cc(OC)c1OC 1468362244 VAERAGRRYHBRPR-VFNWGFHPSA-N 432.948 4.661 30 10 IJEE C#C[C@@H](C)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 1470656893 IHZJSGZHMDEJCV-QFQXNSOFSA-N 428.532 4.533 30 10 IJEE C[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1472679143 DBRZFOPMBZKNFM-QZTJIDSGSA-N 437.588 4.931 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1475819908 AAUKYJDHTQDYJR-QFIPXVFZSA-N 427.570 4.690 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCc3c(cccc3OC)C2)cc1 1476041372 DBJWQCJTGPCZFI-JOCHJYFZSA-N 433.552 4.579 30 10 IJEE CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1493904889 BQIQVVVXMFSWTC-OYRHEFFESA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)CCC(C)C 1507516327 KLDGUMDPPCZZSA-PIBDYAPNSA-N 426.605 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1c(C)sc(C)c1Br 1507524534 WJHSDJYRJDWCSN-LLVKDONJSA-N 433.375 4.794 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cc(C)cs1 1507746572 DICGBXMQVXEHFN-UHFFFAOYSA-N 433.606 4.866 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1507761237 ICAFXOUBUWCNJP-KBMIEXCESA-N 443.636 4.747 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1507802678 CMYVPLLVOYWRBX-RXVVDRJESA-N 428.602 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)CC 1507810740 XXFVRRDIKKPKMG-SPEDKVCISA-N 432.996 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCCCCC1=O 1507825883 ACBYXXDUHXNZEP-UHFFFAOYSA-N 448.615 4.545 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1507830666 PIIQWWJGLPGMNC-UHFFFAOYSA-N 430.666 4.519 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2ccc(CC)o2)nnc1[C@]1(OC(C)C)CCOC1 1507875143 NVUPVSQTXFGMIT-GCJKJVERSA-N 434.968 4.568 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1507927292 PITJJHJPFAZGNK-HKUYNNGSSA-N 426.561 4.706 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1507935677 TYTAFZTXXOSOKM-VWNXMTODSA-N 437.632 4.629 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccs1)C1CC1 1507994666 WVTXCRKZELECFI-UHFFFAOYSA-N 443.617 4.657 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](COc2ccccc2)C1 1508046532 BOVYAXVLRQLTFW-HNNXBMFYSA-N 445.386 4.860 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(Br)c1)[C@H](Cc1ccccc1)C(=O)OCC 1529015159 SVXUSBMTBNZUTL-HXUWFJFHSA-N 430.342 4.560 30 10 IJEE CCCOc1ccc(Cl)cc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1529583262 ARFYZQBCSSQVAW-UHFFFAOYSA-N 434.927 4.511 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 1530714307 SSPINPZYSXULCM-ZAQQZEBGSA-N 434.561 4.780 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 1531957891 GFXVONWRLMANTA-OAQYLSRUSA-N 439.559 4.715 30 10 IJEE C#CCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1533375232 NLEOBSSLXBKELA-HXUWFJFHSA-N 431.319 4.639 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1cn(CCCCC)nc1C 1538993915 UZTVFLGGXGKGIK-LJQANCHMSA-N 441.583 4.695 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1539049992 WQGZORZJVDTHAK-SFHVURJKSA-N 440.897 4.950 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1539599426 FFSIQHOMHBGOQZ-TZIWHRDSSA-N 447.421 4.989 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539642748 RTJCSUFLVDKEJH-ZJSXRUAMSA-N 438.616 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1c(C)coc1C 1539652514 WJQPAOKILNWEOZ-UHFFFAOYSA-N 440.544 4.631 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCCC)CC1 1539682155 OBCUOMFYBIBHJF-OAQYLSRUSA-N 425.577 4.509 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1539849621 YWKIZNPRUHNYPV-IBGZPJMESA-N 426.605 4.919 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)[C@H](C)C1)c1ccccc1 1539947502 KJQFISLPLJIGKJ-DCLXLUIPSA-N 432.616 4.982 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](OCCC)CC1 1539955027 MXYCZQNNYFQXKX-OAQYLSRUSA-N 440.588 4.858 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 1540028575 GGZCLBPLIWNFLY-HNNXBMFYSA-N 439.387 4.848 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 1540596067 YPHRCMIXPATFPU-SFHVURJKSA-N 436.339 4.999 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CCCO)CC1 1540910542 JOKRNBVYJBDKBV-UHFFFAOYSA-N 426.586 4.599 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2cccnc2)n1Cc1cccc2cccnc12 1541513854 HOYJLLIZLMUNFZ-UHFFFAOYSA-N 439.567 4.627 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)c2nc(C)cs2)c1 1542157691 CJAGGECRMYAFKL-HKUYNNGSSA-N 438.601 4.781 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1)c1ccccc1 1545981637 YJAKSBIXFUWQSR-FQEVSTJZSA-N 428.458 4.970 30 10 IJEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@@H](C)C#N 1547679702 ADOWSIBIQMYBTP-VLCRHTCISA-N 438.620 4.505 30 10 IJEE C#CC[C@H](NC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1)C(=O)OC 1556971203 RYXJBPZILISYEG-UCPLLFFYSA-N 445.540 4.549 30 10 IJEE Cc1ccccc1NC1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCCC1 1561748551 IFFZCRZMGZXQIW-UHFFFAOYSA-N 437.487 4.589 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)CC1 1562420603 LOQDWXBXXJMPDC-UHFFFAOYSA-N 445.357 4.963 30 10 IJEE C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1568071203 GSCVOURUTNYTIU-KSFYIVLOSA-N 434.540 4.973 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(C)nc2c1cnn2C(C)C 1583506201 NSVAZELSISNAIW-UHFFFAOYSA-N 429.318 4.900 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)cc21 1585552017 MJAPLVMMWVMRHL-AGHHOFFYSA-N 438.572 4.977 30 10 IJEE C[C@H](CC#N)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1585744306 GOVVJBBVRSRAAD-CJAUYULYSA-N 439.515 4.685 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 1586247328 RDLISIIUSKQFQD-UHFFFAOYSA-N 435.527 4.849 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1587830782 BNDKBXCZYCMJJN-CQSZACIVSA-N 427.886 4.809 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(CN(C)C)c1 1588280640 OKIFZZWIWNVJES-UHFFFAOYSA-N 447.652 4.845 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1589295415 GJQXFHCRVGWARF-QGZVFWFLSA-N 447.421 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1cccs1)C(C)C 1589559359 QKJCHLWBEOJWND-CVDCTZTESA-N 437.613 4.722 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1593782181 IUUMIMMPGKLKEC-IBGZPJMESA-N 437.975 4.960 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCCC2(CCOCC2)C1 1594651749 PYAROEXZDMGKEQ-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](COCC)C1 1594692740 DZNVHGSBWHAGFV-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(OC)c1 1595156005 DMRZJLADOYZGFJ-UHFFFAOYSA-N 435.553 4.593 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)SC 1595266383 FBWRSASAJUELTG-UHFFFAOYSA-N 425.602 4.582 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@](C)(O)C2CCCCC2)C1 1595688858 PWYNZIYLLWNTCA-BVAGGSTKSA-N 438.616 4.620 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 1596511658 RSMCRIBEBVGQDR-LEWJYISDSA-N 444.934 4.991 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1598327001 GHSODVVSYWEGKU-PJUBBZNESA-N 430.335 4.604 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3nc4c(F)ccc(Cl)c4s3)ccc2c1=O 1611620466 OEUAVAJVPNLUAN-UHFFFAOYSA-N 446.916 4.526 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2nc(C(C)(C)C)cs2)c1 1612233050 ADEZLESRDOJWGF-KRWDZBQOSA-N 438.601 4.706 30 10 IJEE Cc1nc(CCn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1612423600 HROFCJSGYRIPIZ-DEOSSOPVSA-N 434.613 4.591 30 10 IJEE CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)N1CCCC1 1613624863 IACNGFQLFFHQRU-IBGZPJMESA-N 426.996 4.603 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCC[C@]1(C)Cc1ccc(I)cc1)OCC 1616262798 LCOLDJWITHATJV-UYAOXDASSA-N 441.353 4.586 30 10 IJEE C#CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c1 1623086290 CZTXGIDHJJVNDS-HHHXNRCGSA-N 426.516 4.567 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 1624610723 WHYWUMZGTKECOE-GOSISDBHSA-N 445.387 4.564 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1624852620 BPTNWBPWPVITAJ-UHFFFAOYSA-N 431.546 4.815 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1CN1CCCC[C@H]1C 1625578033 UOTBEVVPUAPDRT-OAQYLSRUSA-N 444.579 4.742 30 10 IJEE C#C[C@H](NC(=O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1)C(C)(C)C 1628947953 JESNBDAAIAOZSD-DEOSSOPVSA-N 430.548 4.564 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)[C@@H]1CCc2ccccc21 1653214168 BBHQJZDXKUTGNH-RUZDIDTESA-N 440.522 4.666 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1OC 1658664732 LUXXZMIRHDCZDS-UHFFFAOYSA-N 425.960 4.713 30 10 IJEE C=C(C)COc1cc(CNc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)ccc1OC 1662083810 PTCNKSHNTUYIEK-UHFFFAOYSA-N 439.556 4.950 30 10 IJEE C#Cc1ccc(NC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)c(Cl)c1 1664985669 PKWFLKSNORJJCL-UHFFFAOYSA-N 446.776 4.870 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1669272574 SQJJURQUGFPZJL-LJQANCHMSA-N 433.549 4.732 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)CC1 1673692886 SUGFLJPLTCXBHJ-AQYVVDRMSA-N 443.588 4.627 30 10 IJEE C#C[C@@H]1COCCN1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675724367 XUGXUEUVQNYXGV-APWZRJJASA-N 442.346 4.650 30 10 IJEE C=CCCC1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCCC1 1679121347 DLUJNRMSCIBBNR-IBGZPJMESA-N 435.515 4.609 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 1681578083 IARCNVRRTULAHZ-XZOQPEGZSA-N 427.976 4.720 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1F 1684421575 BEOGUSROKMVUMG-DNVCBOLYSA-N 439.840 4.750 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(F)(F)CC1 1690161432 FSOSOMYSRLXMAJ-OAHLLOKOSA-N 436.597 4.733 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1Cc1cccc(COC(C)(C)C)c1 1690204648 PMZCPDLJJLUBAF-BKMJKUGQSA-N 436.600 4.528 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1690224111 BKNGVEMTKQTJEQ-ZDUSSCGKSA-N 446.299 4.651 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1690364099 JLDFIIQODYGCDW-UQBPGWFLSA-N 440.588 4.788 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1690369576 PPEOPWHPCLOPML-XXBNENTESA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(F)(F)F)C1 1690419326 NSXFWXVGZPTLGZ-HNNXBMFYSA-N 429.531 4.578 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCC1CCN(CC)CC1 1690588410 VCNZJSUTMOHFLG-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1C[C@]1(C)OCCc2sccc21 1690599043 JWYYSBDQVNSSLX-VWLOTQADSA-N 434.609 4.791 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCCN2CCC)C1 1690690253 UYPLAZMWDNWNPA-FGZHOGPDSA-N 444.023 4.644 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CCOCC2)c1C 1692893855 BJWGPJRDEWTOBW-NLFFAJNJSA-N 437.588 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](CCC)OC 1705477467 OJMWATRJBMHHHE-NLWGTHIKSA-N 432.996 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1cccs1)N1CCCC1 1705483819 CUTAJRUZEPUYOS-DENIHFKCSA-N 433.625 4.864 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705537814 RSFOFUNCVWUMES-IBGZPJMESA-N 445.032 4.769 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1705603975 BVDVCJSBBHTMGP-QGZVFWFLSA-N 439.560 4.572 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOC(C)C 1705607694 MXSUGQZSESUPMD-UHFFFAOYSA-N 439.785 4.636 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccc(C)s1 1705658129 FRUSYNGKVMBZCK-UHFFFAOYSA-N 448.621 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCSC1 1705668885 WJRISVYMJRPMNL-GSHUGGBRSA-N 431.005 4.817 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1705722232 BNMCLQWVYUJIOT-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705748098 BXJXFJQLLOXESS-FQEVSTJZSA-N 448.995 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705787974 LWBHBABREVFERL-UHFFFAOYSA-N 434.569 4.894 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)CC1 1705806799 MRXKQERCMCEOGM-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705811093 QTQMNLICDWXAGP-NHCUHLMSSA-N 439.604 4.753 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC=C(C(F)(F)F)CC1)C(C)C 1705867483 ONKXBFJENBHHGT-HXUWFJFHSA-N 448.537 4.671 30 10 IJEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)C1 1706897458 CAFRDHRRHKZSFF-NTKDMRAZSA-N 435.597 4.658 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](c2cccnc2)C(C)C)cc1 1707531927 AJHJCOFHLAKZHA-NFBKMPQASA-N 432.572 4.596 30 10 IJEE CSc1cc(Cn2c(C(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)ccn1 1712764140 BCWSUIDHWXLXFH-UHFFFAOYSA-N 430.581 4.732 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(-c2ccsc2)nc1 1722302452 IHAOQFYKSMZBJQ-KRWDZBQOSA-N 447.539 4.626 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1722312722 KNWWDZVOFZEYPA-GCJKJVERSA-N 436.581 4.785 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1722312809 JUTNBRCSUJNXOD-JOCHJYFZSA-N 431.540 4.502 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722327592 GSKVBWNSUMLCLX-STQMWFEESA-N 425.421 4.513 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnc(C)s1 1722346261 VKWJCHYAAJUNSR-HNNXBMFYSA-N 429.977 4.571 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722389388 SFKPMFGRQBICIG-KDYSTLNUSA-N 443.595 4.665 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1722471553 JCVXSQPCTIAVQF-GBXCKJPGSA-N 427.543 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](CCC)OC 1722498121 PMTDRKPDDBYZFN-BKMJKUGQSA-N 438.616 4.962 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@H](OC)C1 1722524799 RQFCPLAKVGFTRB-KBXCAEBGSA-N 425.360 4.601 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](CC(C)C)C1 1722531455 RYGOJUFEXYHWGR-HXUWFJFHSA-N 434.588 4.800 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722553847 CRRNQKSNHSHCJM-SJLPKXTDSA-N 438.016 4.503 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2OCCC2(C)C)CC1 1722574769 RPQHAGHLLKXRQE-UWJYYQICSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)c2nc(C)cs2)CC1 1722583812 ZHYAYCYQEQYQNC-INIZCTEOSA-N 441.576 4.967 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(C)(C)C)C1)c1ccccc1 1722596523 KHKZWKXGKKCHHW-YADHBBJMSA-N 435.616 4.633 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccn(C)n1 1722662173 GXIZCAQTNDPTIT-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1Cc1nc(C(C)(C)C)cs1 1722663268 TZJALLNOWNSJPS-UHFFFAOYSA-N 431.631 4.871 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](C)C2)CCS1 1726512571 DTXWUIFQTSFELQ-CBQOVEMMSA-N 439.629 4.743 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC=CCC1 1740539133 NGXYIAFVYMZBCX-CVEARBPZSA-N 429.362 4.530 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1740590658 HPBYUQOTECPJCQ-JOCHJYFZSA-N 429.008 4.884 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 1740709093 JICSZQRBUHPEJP-QGZVFWFLSA-N 425.627 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(C)o1 1740761533 XLHBCVSGVOILPY-HXOBKFHXSA-N 442.510 4.666 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740859264 IQXNCMISJKYUKN-SFHVURJKSA-N 443.567 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H](F)c1ccc(Br)cc1 1740929387 SCHPUTATSYPLTR-LJQANCHMSA-N 442.336 4.992 30 10 IJEE Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)sc1C 1742041340 DXPZIFYINUDJIG-HOCLYGCPSA-N 442.564 4.612 30 10 IJEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@@H](C)C1 1742068579 AMKMBWZJIIIRCY-APWZRJJASA-N 436.585 4.566 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC1CCC(OC)CC1 1748667318 RIIDCHIHHRTWJO-JSOIOWGOSA-N 433.556 4.653 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1748701674 NSVWCMSRQQTHOY-GGAORHGYSA-N 446.599 4.774 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](CCOC)C1 1748702280 AYIQOCZEQYTDOK-SFHVURJKSA-N 445.405 4.682 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 1748714702 KTLKOJHIGNWTJT-HXUWFJFHSA-N 429.609 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC(=O)N(CC)CC 1749058365 GCDGASFNLKCNJW-HHHXNRCGSA-N 449.643 4.883 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1749066100 GZPMNWUGNJSPSB-ZRCGQRJVSA-N 428.964 4.553 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1CC 1749119506 SSNPSUJDMIXAMY-YXTQBTIXSA-N 428.552 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccccc1C 1749133217 JCVGYBVHURJXPZ-HOKHCIIBSA-N 431.584 4.751 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1749148193 ZGMYYNARSIYWFQ-LJQANCHMSA-N 443.592 4.659 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCCCC2)C1 1749174438 QAASHVRCIPREEK-HXUWFJFHSA-N 440.588 4.932 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(CC)CC2)CC1 1749312329 JITUVESSSYYHPM-UHFFFAOYSA-N 431.378 4.966 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1sccc1Br 1749384226 WAHFIWSCCMVIOS-UHFFFAOYSA-N 449.422 4.734 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749395237 DSICPEJOBUQRLR-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCN1CCCC[C@@H]1CC 1749532724 WZDMZHQZCSEVSI-DEOSSOPVSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccsc1 1749536769 XAZSGWUJCLEHRV-DEOSSOPVSA-N 438.597 4.621 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1749557436 ITPJNNUINXPWBI-ONJIFJTESA-N 441.664 4.640 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1749753941 CXACIZXUIBHBNU-JOCHJYFZSA-N 435.597 4.604 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)c1ccccc1 1760104340 XACIYCADBONBJO-GOEBONIOSA-N 445.386 4.615 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@]2(CC=CCC2)C1 1760146473 NKZUCRXGXBIUAA-JOCHJYFZSA-N 442.405 4.786 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(C)CCCC1 1760245067 PYRMAOHPCHWYBX-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CC1 1760317227 CJRGETWSKZDJAD-QFBILLFUSA-N 431.378 4.596 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1760344823 KOZFJRDCQVTBGP-MOPGFXCFSA-N 434.588 4.524 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCc2ccc(Cl)nc2C1 1760353255 LMBSJAZEXDJONE-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccnc(SC)c2)CC1 1760392354 NJBYQAKPIVLYSP-UHFFFAOYSA-N 435.597 4.796 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@@H]2CCOC2)CC1 1760399054 XEKPJANYQRAQQQ-OAHLLOKOSA-N 437.407 4.598 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1ccnc(SC)c1 1760481747 GPTNULIWPSFTRY-UHFFFAOYSA-N 428.565 4.698 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1ccnc(SC)c1 1760499335 VACDQKQJGHTFAP-JOCHJYFZSA-N 449.624 4.920 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1760512413 GPIDQRPQGMXRAE-XZOQPEGZSA-N 437.632 4.751 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C)CCCC1 1761362612 DZYVUZUELUJMAO-SFHVURJKSA-N 444.624 4.711 30 10 IJEE CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CCCC1 1761574480 ABBPODCABWKVHE-NRFANRHFSA-N 437.588 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](SC)C(C)(C)C 1772516407 GBBUBECQOBHNQA-JOCHJYFZSA-N 438.641 4.715 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)OCC(C)C)c1 1858735179 XRXNEKOFIKQJLD-UHFFFAOYSA-N 425.529 4.750 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(=O)OC)cc1 1862382272 HLTVNVOUFCCKJF-GOSISDBHSA-N 448.302 4.768 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(O)c2)cc1C 1862401133 URYSWEDDOZHXTG-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862405984 JMSCPKYKBQEQMB-IBGZPJMESA-N 431.410 4.787 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCN(C)C)cc1 1862414829 JQDLTUDOMJGOIE-QFIPXVFZSA-N 442.506 4.618 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862421699 NZHLBXSDBLAWEV-OAQYLSRUSA-N 428.479 4.798 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1862432379 CPCBPXBVSCOKMG-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862433808 LRPIQXCNYXNBAL-JOCHJYFZSA-N 447.922 4.580 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862437349 PCJYDUBMBSUPAN-RNODOKPDSA-N 429.900 4.821 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(Cl)c2)cc1 1862515516 CIUCPYYQLTXERX-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2Cl)cc1 1862515647 DMNHNKJTUFRUII-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1862650400 UVPRPIDYHFIULT-HSZRJFAPSA-N 432.495 4.509 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2F)cc1 1862686730 AHUNTRZOSFUKLR-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(SC)c2)C(=O)N(c2ccccc2C#N)C1=O 1863065587 VQAABZBMWKLRCL-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE Cc1cc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100532 SHRWMLAIHXWNQW-UHFFFAOYSA-N 448.457 4.951 30 10 IJEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1863705299 JWDQSYCTSIGVDM-FQEVSTJZSA-N 438.527 4.882 30 10 IJEE C=CCNC(=O)[C@@H](CC(C)C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865899740 UXOQKWYLGSPWOP-MRVPVSSYSA-N 438.138 4.613 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)Cc1cccc2ccccc12 1870151814 MWWFKXRUEIUEIU-UHFFFAOYSA-N 446.308 4.544 30 10 IJEE CCCCCCCOc1cn(CC)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870411206 XZLAEOVWWVPMCS-UHFFFAOYSA-N 429.580 4.679 30 10 IJEE CCCCCCCOc1cn(CCCCC)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870411771 MUJMEPWBHAGPQO-UHFFFAOYSA-N 449.636 4.662 30 10 IJEE Cc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C4=O)c1 1871348016 KYSFEALDSNJJLU-FMCGGJTJSA-N 428.444 4.872 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871373919 LKVBRIHCCYNKRW-UWVJOHFNSA-N 436.807 4.787 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871441257 HDOIEKOAVWBGDA-JMIUGGIZSA-N 438.842 4.816 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871441440 CXMUQRNRRYHTGA-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1ccccc1 1871818302 JEJXQIKVDIMJHC-HSZRJFAPSA-N 428.598 4.869 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872285176 NNIUYOMMZVCJOU-HSZRJFAPSA-N 428.598 4.612 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 1872350857 AMUHDDWQRHBXPK-MRXNPFEDSA-N 440.487 4.608 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774410 QCAWINDKLLJZRF-SUMWQHHRSA-N 440.908 4.878 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(NC(C)=O)c2)n1 1872788724 OVJKZAPWIXUUTJ-KRWDZBQOSA-N 425.897 4.921 30 10 IJEE C=CCOc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)o1)c1c[nH]c2ccccc12 1873678772 WFGRLOSYIREKHU-OAQYLSRUSA-N 430.504 4.961 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)cc1 1874221247 BIKCHVITHXGGDT-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE Oc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1 1874346550 UVJNCVCYNUKMHF-KOEQRZSOSA-N 430.533 4.780 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(OC)c1OCCC 1874376191 JNZTZEKLHURDBJ-PCLIKHOPSA-N 440.544 4.966 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2[C@@H]2CCCO2)ccc1OCc1ccc(C)cc1 1874442349 ZHDKSARDEUVGKP-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1nccs1 1874589871 HJCNRGXPYPLETF-CMDGGOBGSA-N 436.533 4.991 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2nccs2)cc1Cl 1874591086 RCWCFXCAWQHMGS-SOFGYWHQSA-N 428.897 4.719 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 1874753115 QKLNZHYNTRTSTL-SFHVURJKSA-N 426.944 4.993 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cc(OC)ccc1Br 1922125212 LPJOJVVNWDSQQA-VXKWHMMOSA-N 434.374 4.632 30 10 IJEE C=CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1I 1969551101 JGQLXOUUKGFBQT-YGRLFVJLSA-N 434.115 4.528 30 10 IJEE CCc1nn([C@H](CC)c2ccc(C(C)C)cc2)c(I)c1C=NO 2079902277 AQYNSOZEJUPRIK-QGZVFWFLSA-N 425.314 4.981 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCNc2cc(Br)cc(F)c2C#N)C1 2107451540 POCSMXWVHZCVNH-JSGCOSHPSA-N 426.330 4.955 30 10 IJEE C[C@H]1CN(c2cc(Br)cc(F)c2C#N)C[C@@H](C)CN1C(=O)OC(C)(C)C 2118200445 FKFJGSQXAMWZGF-OLZOCXBDSA-N 426.330 4.542 30 10 IJEE CC(C)[C@H]1[C@@H](Nc2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2126371891 MXAXGVKPONDFHA-YOEHRIQHSA-N 426.330 4.906 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCCC 2126713449 YZKNICOWAVEGQZ-JKSUJKDBSA-N 433.337 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1cccc(Br)c1C#N 2162295812 KGXQQFPKZVGTBP-RTBURBONSA-N 428.330 4.923 30 10 IJEE COC[C@@]1(CNc2ccc(C#N)c(Br)c2)CCCCN1C(=O)OC(C)(C)C 2162418802 WTFJDYXTVSFMPT-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)c(Br)c1F 2174808365 NAHVBEBSUQTJAJ-QDMKHBRRSA-N 438.341 4.827 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Br)cc1C#N 2181138697 DYGDKIFQYLCFNY-CZUORRHYSA-N 436.350 4.733 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2248081910 WQXGSPXFVGKXLC-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2249346695 FNDVHSRMQQPZCM-GPMRDQACSA-N 447.498 4.761 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2249581001 ZQKAVVNTYRWPGN-RSQQPWMTSA-N 431.508 4.716 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296144544 DYSJNXVMRZVDAJ-IEBWSBKVSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@H](N)C#Cc2ccc(Br)cc2)CC1 2296272374 KHLQOBYNCJFQRU-BLIXFSHQSA-N 439.369 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@@H](O)C#Cc3ccc(Br)cc3)cc21 2296285259 ZVCWAIKMBHJYEM-FQEVSTJZSA-N 428.326 4.832 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@H](O)C#Cc1ccc(Br)cc1)C1CCCC1 2296287698 ZFAJSVXOGAMJPK-AZUAARDMSA-N 436.390 4.883 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)c1 2296565370 IZQSOHCCNUMCAG-QFIPXVFZSA-N 432.476 4.741 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(O)c(Br)c2)C1=O 2297315800 KGOHBNIEKZBZLI-UHFFFAOYSA-N 446.322 4.698 30 10 IJEE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1c(Cl)cccc1Cl 2313601741 KHZZIVHMLBAHGS-UHFFFAOYSA-N 447.351 4.953 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317312021 ZQDYTLQAAKNDFA-UHFFFAOYSA-N 431.386 4.689 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c1 2322788562 SHTCLVKGIHDYMW-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(=O)OCCC 2323688231 VXMBSLRPTCAFPM-UHFFFAOYSA-N 439.464 4.560 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325086343 HPFBMFUIAGLWID-GOSISDBHSA-N 425.437 4.630 30 10 IJEE CCN(CC)c1ccc(NC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)c(C)c1 2325610178 QOFWHUZFMWQDGD-UHFFFAOYSA-N 433.321 4.964 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccncc1 2328219259 JBKZPFIWXNDYAK-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE CCCOc1ccc(C=NNc2ncnc3c2[nH]c2cc(OC)c(OC)cc23)cc1OCC 2328801451 XYUSGIYWMGCOPA-UHFFFAOYSA-N 449.511 4.762 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1ccccc1)Nc1ccccc1F 2330533368 GQKNPVGRLZJMNZ-UHFFFAOYSA-N 437.525 4.759 30 10 IJEE Cn1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)c2ccccc21 2330899529 BLEUGOMPBMWSLS-NRFANRHFSA-N 435.528 4.935 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)ccc1O 2331154820 KUDSWAQNUYWFEP-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2cccs2)c(C)c1 2331159522 HOEZKCLZIAAJJH-UHFFFAOYSA-N 439.488 4.588 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)c1 2331168001 FVVRROFNLDLWKX-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)cc1Cl 2331232638 QDNHQVZYYGMPIY-UHFFFAOYSA-N 439.324 4.772 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc(OCC)c1 2331320359 CYLYXTPKNUDYTA-UHFFFAOYSA-N 437.569 4.632 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C(C)(C)C 2331362752 KVTWXVGEPYWFFV-UHFFFAOYSA-N 449.580 4.753 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(Cl)c2)cc1 2331687297 KOPXDWPAZRTHCR-UHFFFAOYSA-N 427.961 4.976 30 10 IJEE CC#CCN(C[C@H](NCCC)c1ccc(Br)c(F)c1)C(=O)OC(C)(C)C 2337909930 LMTXANDFSGMFRA-SFHVURJKSA-N 427.358 4.889 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]2(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339594594 WSXROTUSSKMWQR-KOSHJBKYSA-N 442.365 4.505 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CCOC[C@@H]3OCc3ccccc3)nc2)OC1(C)C 2339601179 VLJMVLGSQLNUNM-QWSZJCSHSA-N 436.361 4.512 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(NC1CC1)[C@H]1CC12CCC2)Cc1ccccc1 2345020331 BTQXSSMUQDLSHK-YTMVLYRLSA-N 442.651 4.825 30 10 IJEE Cc1cc(C)c(C#N)c(OCc2cc(I)ccc2Br)n1 2367518915 BQDJMHHKPFOYIB-UHFFFAOYSA-N 443.082 4.516 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1)N2 13635422 YVVXDWCTFHCCED-SGIRGMQISA-N 436.577 4.884 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(C(F)(F)F)cc2)NC2CCCC2)n1 14156411 ANYBDOXJQSTZKZ-UHFFFAOYSA-N 436.507 4.809 30 10 IJEE C=CCn1c(SCC(=O)NC(C)(C)CC)nc2cc(-c3ccccc3)sc2c1=O 19285986 RCQUGOSDUGOTOG-UHFFFAOYSA-N 427.595 4.708 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2ccc(OC)cc2)c(C)n1 32972941 WATPLLGDHCFPCO-UHFFFAOYSA-N 439.947 4.662 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)N1C[C@H](C)O[C@H](C)C1)n2Cc1c(F)cccc1F 35927865 KHHWUNSJAQBHPC-CALCHBBNSA-N 440.490 4.782 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(Cc1ccc3c(c1)OCO3)CO2 41645260 WNMXMPVGTNARNI-NKVSQWTQSA-N 433.485 4.754 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1)c1ccc(C)cc1 59021259 ZHVDSPWVVRVDAT-ZMFRSBBQSA-N 448.474 4.699 30 10 IJEE CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O 59566826 ABYNPXAYHTUOOK-RKPNYOAGSA-N 445.331 4.767 30 10 IJEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2csc3c2CC[C@H](C(C)(C)C)C3)cc1 71528635 KLGPSGZDFMRVRG-AWEZNQCLSA-N 434.583 4.817 30 10 IJEE Cc1c(C(=O)Nc2ccccc2)sc2[nH]c(SCc3cccc(C#N)c3)nc(=O)c12 96534181 NYKVDJWMMXUPSR-UHFFFAOYSA-N 432.530 4.709 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)c(Cl)c1 100195031 OLGNQBYGGBQACS-COPMAWBXSA-N 445.972 4.946 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 110068208 FHDUQAHZMJANDN-UHFFFAOYSA-N 432.249 4.806 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C)cc2)c1 169935030 KUSOBHLZYIEBDY-XMMPIXPASA-N 441.483 4.721 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(O)cc2)c1 169958920 LJEUCNJFCMXQKU-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccccc1OC(C)C 169976392 RZFWTRVHXIQQBA-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccn2)c1 169993203 YXGACEUGSHYGAK-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)cc1 170092619 HVZJZNDEAPXXHU-IBGZPJMESA-N 427.815 4.864 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170162043 DABZXHWPOVFHJC-YVEFUNNKSA-N 438.332 4.812 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)cc1C 170178098 OFQRDCZRUSTSEO-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE Cc1sc(C2=C(N)N(c3ccc(Br)cc3)CC2=O)nc1-c1ccccc1 170181325 YIBNIJRUTXOEPF-UHFFFAOYSA-N 426.339 4.598 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c1 170223832 KKHSZEQOLRMMNC-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccc(C)o1 170305023 JALDGRXSWRXLOU-NRFANRHFSA-N 448.862 4.905 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1sccc1C 170317897 HTNPFIHMIKRHKE-FQEVSTJZSA-N 443.565 4.767 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(C)c2)ccc1OC 170337033 FCTVASRFIODAEE-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE COc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(Cc3cccnc3)C1=O)OCO2 244708064 KMXSDOCGGMZWAS-UHFFFAOYSA-N 445.500 4.623 30 10 IJEE COc1ccc(C=Nc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1Br 252621001 MQOAJVMLJYHFIH-UHFFFAOYSA-N 429.274 4.919 30 10 IJEE COc1ccc(N=C2C(=O)N(CN3CCC(C)CC3)c3ccc(Br)cc32)cc1 254482569 QMOQTGFTSMUNDS-UHFFFAOYSA-N 442.357 4.615 30 10 IJEE N#Cc1ccc(C2=CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@@H]3CCOC3)CC2)cc1 461708365 XDGMWLLWSHHPCK-IBGZPJMESA-N 445.954 4.800 30 10 IJEE COc1ccc(C)cc1C1(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCOCC1 465753213 NJWOWKGLZKSZBW-UPVQGACJSA-N 447.579 4.533 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccccc1 468115160 LJMWRLVEGSNPKD-MRXNPFEDSA-N 430.537 4.641 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 487852828 HHZXNBTXVWBFHL-VQTJNVASSA-N 444.535 4.868 30 10 IJEE CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 501434893 KDCFBUMWOPBQEZ-UHFFFAOYSA-N 436.512 4.588 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 508475237 YBIQDBACWPVGCL-MRXNPFEDSA-N 444.992 4.560 30 10 IJEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508503361 FVBOZRYBPLODHP-UHFFFAOYSA-N 428.458 4.520 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])s2)cc1 526486400 PATRQALRBIISRC-NRFANRHFSA-N 447.472 4.984 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(C(F)(F)F)cc2)cc1 526827248 LRUPIOKTASYKGN-MYKKPKGFSA-N 434.443 4.566 30 10 IJEE C=CCn1c(Sc2ccc3ncccc3c2[N+](=O)[O-])nnc1[C@H]1COc2ccccc2O1 535008443 HJEBJRGIMSKNGA-GOSISDBHSA-N 447.476 4.584 30 10 IJEE C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)[C@@H](C)n1cnc(C#N)n1 547379848 NCICABXDIOEEJN-IIDMSEBBSA-N 444.926 4.581 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)cc1Cl 557276370 ALRPUJNIFCGVRA-QGZVFWFLSA-N 434.883 4.894 30 10 IJEE COc1cc(Br)c([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCC2)cc1OC 712312406 MDJYWDZNHJXYGH-HNNXBMFYSA-N 425.323 4.821 30 10 IJEE Cc1ccc([C@H](C#N)C(=O)c2ccc(I)c(Br)c2)cc1 721300873 DLELIIKXSKMWDT-ZDUSSCGKSA-N 440.078 4.852 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2nc(-c3cn(CCC#N)c4ccccc34)cs2)CC1 727462513 KIZRYFUDMUSLJZ-UHFFFAOYSA-N 437.569 4.736 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@H]2CCCc3ccccc32)nc1C 731051918 WDSWTUTYKSWRSV-OAHLLOKOSA-N 425.583 4.633 30 10 IJEE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)N1CCC(C)(C#N)CC1 780333641 BBTGMRCNLGIVSV-MRXNPFEDSA-N 425.554 4.544 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 780676702 CVYGILWBPWOSJY-QKKBWIMNSA-N 438.915 4.611 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 790281034 ZHAUVPAGUCHQMR-MRXNPFEDSA-N 439.553 4.568 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](C(C)(C)C)C1 802578744 ZSUDIWVEPMREEL-HXUWFJFHSA-N 425.577 4.543 30 10 IJEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 1083940645 DLOJZLRLZRIRKK-UHFFFAOYSA-N 443.912 4.820 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC=CCC2)ccc1Cl 1125455306 HOVAAYHXWGJKBR-GOSISDBHSA-N 444.984 4.807 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(I)ccc2C)cc1 1128193637 OTISICRLSLKAJJ-UHFFFAOYSA-N 449.288 4.861 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1OC 1128523450 YYDMQCRPVKRUCE-SOFGYWHQSA-N 425.435 4.591 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc1Cl 1128598097 LARRQEWTIRXOPQ-ZIAGYGMSSA-N 433.401 4.641 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c(C#N)c2C)cc1OC 1129955201 WHSWRBFZDGETMT-UXBLZVDNSA-N 427.298 4.855 30 10 IJEE C=CCOc1ccc(CC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1135677077 RYUAMGCHCGANOJ-UHFFFAOYSA-N 432.432 4.560 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3cccc(C)c3)Cc3ccccn3)n[nH]2)c1C 1136615394 HMEDSGXHZUQCGQ-UHFFFAOYSA-N 440.551 4.622 30 10 IJEE N#Cc1ccc(NCC(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)nc1 1136741537 HHTKHUUNJFDZFB-HXUWFJFHSA-N 443.309 4.911 30 10 IJEE N#Cc1ccc(C2CCN(Cc3ccc(Br)cc3N3CCOCC3)CC2)cc1 1138712316 GWCOVBHOUOJQTO-UHFFFAOYSA-N 440.385 4.537 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 1146875622 CWUHWQAKZLQUBU-KNQAVFIVSA-N 429.605 4.578 30 10 IJEE C=CCN(C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)[C@H](C)COC 1147132450 OOOKBIGIIKLWKY-MRXNPFEDSA-N 445.585 4.744 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 1159778349 KSNADYVSUUXVQU-OAQYLSRUSA-N 430.504 4.754 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1161580621 ORHIQQFQBLLIDN-LADGPHEKSA-N 445.563 4.696 30 10 IJEE C=CCCN(OCc1ccccc1)c1ncnc2ccc(I)cc12 1163091338 AASQDGMACVYZJW-UHFFFAOYSA-N 431.277 4.749 30 10 IJEE C=CCn1c(SCC(=O)NCCO[C@@H]2CCCC[C@@H]2C)nnc1-c1cccc(Cl)c1 1165888964 JABZYUADVVIITO-QFBILLFUSA-N 449.020 4.588 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@@H](c4cccc(OC(F)(F)F)c4)C3)cc21 1209774447 NQNVVBGMCFRNBR-HXUWFJFHSA-N 446.429 4.726 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cs1)c1ccc(C(F)(F)F)cc1 1211149310 WNYLFWYEAAWKER-OAHLLOKOSA-N 433.473 4.539 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCN1c2ccccc2C[C@@H]1C 1221591873 HLKMNJVAFQTALN-INIZCTEOSA-N 446.364 4.737 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1227923908 GRBBZNIJDDIXCW-OAQYLSRUSA-N 446.469 4.779 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OCC)c1ccccc1 1286365806 JWXQJRWTJCQQTM-GHTZIAJQSA-N 434.609 4.979 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)oc2ccccc12 1286424933 RDLHNCNAPKORSC-UHFFFAOYSA-N 429.911 4.559 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1286447348 NIAFHHMIBAHFEE-WIOPSUGQSA-N 447.652 4.781 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCCCCC1 1286551155 GPUDWAZSROXEBM-AUSIDOKSSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)CC1 1286666865 GKMSOXUIVXDDJJ-GOSISDBHSA-N 430.618 4.577 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](C)C1)c1ccccc1 1286680993 HMGKYOJJKPFJPZ-IRFCIJBXSA-N 449.624 4.722 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](COC)C1 1286682876 WUQIKRZVIXQGBL-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(OCc2ccccc2F)CC1 1286686493 HZBQVJLIVHGXLO-NRFANRHFSA-N 442.579 4.853 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(F)(F)C1 1286693271 XFQSFJOBXZQXTD-UHFFFAOYSA-N 427.293 4.528 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1286706701 TVHNCPNJEDPUQJ-INIZCTEOSA-N 434.993 4.579 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1Cc1c(C)coc1C 1286741294 ITTDPCBUWHHVDK-UHFFFAOYSA-N 438.535 4.586 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1286769774 QWBBADQPWSLLOE-UHFFFAOYSA-N 426.933 4.521 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](COCC)C2)cc1 1286795444 BGZWMJKSAKMNCY-OAQYLSRUSA-N 426.605 4.733 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C2CCOCC2)C1 1286830516 RIQXZSYTNCYQNU-GOSISDBHSA-N 433.021 4.771 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H]2CCCCO2)C1 1288974488 FWDKJIQYRIUJIW-VGSWGCGISA-N 431.943 4.827 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)N(C)C)CC[C@H]1C 1291154512 ADZXQGRWGQMOLF-YOSAUDMPSA-N 434.632 4.810 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(CC)C1 1300361541 HFIWRXQKQUQVBJ-NLFFAJNJSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCSC1 1300522315 BCOFTLKBIKTOBW-NRFANRHFSA-N 436.625 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H]1CCO[C@H](C)C1 1300788582 FGXBIHVLAKOXTI-NXMSCROESA-N 444.526 4.744 30 10 IJEE C=C(Br)Cn1c(COCC)nnc1N(CCC)Cc1ccc(F)cc1C 1300862111 RAUUHITWVYMBLC-UHFFFAOYSA-N 425.346 4.587 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 1300891370 KJNHAPRTMRUJKM-LADGPHEKSA-N 443.680 4.550 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCC(F)(F)C1 1300909501 USCPSUCHNXWZES-SFHVURJKSA-N 426.515 4.969 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1301086511 KGPUVCRVYLXKPV-WZONZLPQSA-N 430.543 4.755 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2CC2)CC1 1301125657 PUIOSFJQIMJDJL-UHFFFAOYSA-N 429.609 4.595 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301159783 GGQBQSZEZNOHRT-YTFSRNRJSA-N 438.616 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301160438 QYADTSBNLJQYTR-FGZHOGPDSA-N 438.616 4.939 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CCC)C(=O)C1)c1ccccc1 1301163734 MFGDPOUSDLLMNG-QFIPXVFZSA-N 447.583 4.655 30 10 IJEE C=CCCCCn1c(N2CCc3sccc3[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1301198081 AWYSJQGSQHXJSF-XXBNENTESA-N 430.618 4.862 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301214548 CHLPVAIKQYWNSG-FYYLOGMGSA-N 432.616 4.739 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](CC)C1 1301241062 MLBNSVLFHSUQEM-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCCN(C3CCCC3)CC2)cc1 1301527538 YOSVPYSRKLLMTL-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)ccc1OC(F)(F)F)c1ccc(F)cc1 1310911484 HYMOQJYUKSJAEF-CYBMUJFWSA-N 431.183 4.983 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)C(C)C 1310921344 ROTHOHLEDRFNJQ-UYAOXDASSA-N 440.485 4.908 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)C1 1325262108 KFKXGSOERNTCMW-NSHDSACASA-N 445.397 4.946 30 10 IJEE C=CCN(C(=O)c1nc(CC)ncc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1348496614 DXGYFQOYGLIPEL-UHFFFAOYSA-N 429.889 4.557 30 10 IJEE CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1ccc(C#N)cc1OC 1351547840 FRGZXGAQQSDCQD-UHFFFAOYSA-N 436.489 4.733 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 1355027226 ISCIKLMMVKFLTE-KRWDZBQOSA-N 441.778 4.556 30 10 IJEE C=CCc1ccc(OCC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)c(OC)c1 1356596108 QGRMFUYRUFMSKA-HNNXBMFYSA-N 430.342 4.538 30 10 IJEE C=CC[C@]1(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)CCCN1C(=O)OC(C)(C)C 1358356697 HBPYGNCDWWQREZ-JOCHJYFZSA-N 447.919 4.779 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)c1ccccc1 1358878193 SHRNKYOAQTWPMN-RTBURBONSA-N 433.625 4.726 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1359063591 YLGCCUDSXLFUOZ-VAXXYWNWSA-N 425.646 4.712 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1359095319 NFIUMFGHRBAFHW-PGRDOPGGSA-N 442.579 4.849 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1359145745 BCDUNMWPEGRTJD-MRXNPFEDSA-N 432.330 4.954 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCC(C)CC2)CC1 1359161748 PGWVFEBGPFWYKW-UHFFFAOYSA-N 438.576 4.522 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1359167973 CLKWQUPQJYFGGF-UHFFFAOYSA-N 446.599 4.611 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N(C)Cc1csc(Br)c1 1359224660 YWQJZUGSOICUAP-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCCC1(C)C 1359255657 FYSSVKXULPSGSB-SANMLTNESA-N 445.567 4.852 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1OCC[C@H]1C 1359268473 RMIZCPPAVHDPLP-VQIMIIECSA-N 431.378 4.619 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1C 1359274517 PQIMSDKUCPDPAR-ZCNNSNEGSA-N 429.609 4.965 30 10 IJEE C#CCN(C(=O)c1cccc(OC(C)(C)C)n1)[C@H]1CCOc2ccc(Br)cc21 1360311714 ZUVIGYMBPUSTDD-SFHVURJKSA-N 443.341 4.621 30 10 IJEE Cc1cccc(F)c1-n1nc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c2c1CCC2 1360330017 CWRLWPVUTDGSBL-UHFFFAOYSA-N 449.370 4.765 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C(=O)OC(C)(C)C)cn1 1360644084 NNWWQKZPLXBCQX-UHFFFAOYSA-N 449.320 4.767 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)ccc1Cl 1436900565 QCWNHRHTCBSRGC-RCCFBDPRSA-N 447.000 4.838 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](C)Oc1ccc(F)cc1Br)c1ccccc1 1439948536 ATDDGWFODHFKJX-ZJWNCGCPSA-N 426.307 4.595 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 1442182462 MUSKLDJXHNAPBO-AEFFLSMTSA-N 438.952 4.609 30 10 IJEE CSc1nc(O)c(C(=O)Oc2cc(Cl)c(Br)cc2Cl)cc1C#N 1458993154 JHOHNORKBGNXBR-UHFFFAOYSA-N 434.098 4.669 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)s1 1459809988 MYTOMCDKLSRHFV-MJGOQNOKSA-N 448.057 4.982 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1 1460185897 ACNVJMWBXNKPDC-UHFFFAOYSA-N 432.545 4.652 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1460844133 LQDKUUTWIGASHQ-WNCULLNHSA-N 434.580 4.869 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)cc1OCC 1461495300 WSMIFGQHSZKTBO-KRWDZBQOSA-N 448.283 4.539 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 1468178473 HXJPMRWOEHZFSE-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NCc3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 1474109345 HMJDZZYEZFRNCC-RUZDIDTESA-N 429.495 4.562 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 1477092905 VPQXBOWBTSNWAE-UHFFFAOYSA-N 426.476 4.670 30 10 IJEE C=CCCC1(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CCCC1 1478968532 VFAFEJJMLXJUNQ-HXUWFJFHSA-N 449.636 4.618 30 10 IJEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)o1 1498272445 DCVPYWQDXZNXCI-QGZVFWFLSA-N 444.461 4.503 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1cccnc1)C(C)C 1507708771 MTAAEGJMPPXZQJ-OAQYLSRUSA-N 437.975 4.519 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1507746080 KMFWURDVRITGID-KFKAGJAMSA-N 431.005 4.673 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1507859880 GJJQDUPTFHPTEJ-KRWDZBQOSA-N 441.929 4.717 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CC)C1)c1ccccc1 1507927752 CMXKODKBGNZLKE-BIHRQFPBSA-N 438.616 4.988 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CC1 1507934421 CLHIWGGNSFLZJN-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1507940297 YRVFHDCLJYOSKT-PGRDOPGGSA-N 437.613 4.957 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(F)cc1)N(C)C)C1CC1 1507989707 DQXZDXAFJQGNRV-HXUWFJFHSA-N 440.954 4.590 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@H](O)C1 1508027990 QECFUDMOBCRGAI-OALUTQOASA-N 440.975 4.978 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCSC2(C)C)C1 1508117962 SUQVKINDILBFIW-PKOBYXMFSA-N 433.021 4.912 30 10 IJEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCC2(C)C)CC1 1508298483 DEKAMDLYKCGKPT-DDRJZQQSSA-N 448.615 4.527 30 10 IJEE COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@H](C)Cc3ccc(C#N)cc3)c2)c1 1520996418 CHHLNXQVKHKEFT-GOSISDBHSA-N 430.504 4.863 30 10 IJEE C=C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1521720429 RVOKZOSVEUKYBU-DYESRHJHSA-N 441.369 4.729 30 10 IJEE C=CCN(C(=O)[C@H]1CCN(c2ccccc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1522119340 PDPWUINIKXZSGK-SFHVURJKSA-N 434.521 4.764 30 10 IJEE C=C[C@@H](CC(=O)Nc1sc2c(c1C(=O)NCCCOC)CCCC2)c1ccccc1 1523011923 NYUPGDQYODJTSS-KRWDZBQOSA-N 426.582 4.692 30 10 IJEE C=CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524296808 SXRUPGAIFPALPX-MRXNPFEDSA-N 432.505 4.988 30 10 IJEE C#C[C@H](NC(=O)c1c(C)nc(-c2ccco2)nc1SC)c1ccc(Br)cc1 1525054230 JSWZGWLXHWCHQV-HNNXBMFYSA-N 442.338 4.634 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 1525488406 VRORTYHOBZHMLJ-UHFFFAOYSA-N 434.565 4.797 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 1526039089 LXIREDNMMRUOJR-UHFFFAOYSA-N 427.529 4.569 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CCCC1(C)C 1530837415 AISKGXCAKYBIEE-JQVVWYNYSA-N 432.630 4.560 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c1 1530877914 YAHLPKKBZMKZOH-XKGZKEIXSA-N 444.984 4.640 30 10 IJEE C=CCc1cc(C(=O)Oc2ccc3cccnc3c2Br)cc(OC)c1OC 1533866127 RNDVKKKTYKKABB-UHFFFAOYSA-N 428.282 4.962 30 10 IJEE C=CC1(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCCCC1 1534268476 KMVFFSAILNUQQY-NJNXFGOHSA-N 431.602 4.745 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(-c4ccccc4)ccc3Cl)C2=O)cc1 1536962192 GWBFOPRKCUICDK-HSZRJFAPSA-N 429.907 4.804 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 1538891267 IELGWJBJSLACRB-GFCCVEGCSA-N 434.115 4.625 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)C1CCCCC1 1538974726 YPHFGTCTXAUHKK-AFMDSPMNSA-N 431.584 4.591 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C)c1ccccc1 1539185221 AIKPUTGRQGVBOB-WENCNXQZSA-N 426.582 4.793 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C2CC2)CCC1 1539190522 LFNLICXTXSXNJH-UHFFFAOYSA-N 426.992 4.901 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(F)CCC1 1539382780 ROYRNRGIHQGQQC-UHFFFAOYSA-N 425.335 4.906 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CCCOCc2ccccc2)nnc1C(C)(C)C 1539642605 RHKJQNWZVNCSKR-FCHUYYIVSA-N 426.605 4.600 30 10 IJEE N#Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1Br 1539831756 GREOSKWSAKAAQQ-UHFFFAOYSA-N 437.322 4.878 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1539890274 LUNFPTMGTHVOIU-UHFFFAOYSA-N 434.531 4.732 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2Cl)CC1 1539930728 BIOWHAVCLNOFLY-HXUWFJFHSA-N 429.996 4.712 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1539939775 KCWYZAGFPNEIRY-DHIUTWEWSA-N 433.600 4.895 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1539981928 KMNMBXMVQAHJLF-MOPGFXCFSA-N 438.551 4.641 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1oc2ccc(F)cc2c1C 1540051328 DDUBKFVSSWDHRN-UHFFFAOYSA-N 444.308 4.900 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCc1ccncc1)C1CC1 1540099391 YCWKEJCKYGVJFS-UHFFFAOYSA-N 442.336 4.639 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1540119319 IJWSQWIPRKKOAU-GJZUVCINSA-N 438.616 4.982 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1cscc1C 1540181976 DRNHIEWQCLXICZ-UHFFFAOYSA-N 446.624 4.793 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2c[nH]c3c(CC)cccc23)C1 1540893172 YFZZEORQSXBYHW-NRFANRHFSA-N 435.616 4.934 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1562071016 ZXNVTWUMNQVIJW-WKRCXCSHSA-N 433.618 4.513 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(CCC)cc2)C(C)C)cc1 1562197163 FEYJAPRKAFKMFQ-QHCPKHFHSA-N 443.613 4.964 30 10 IJEE CC1(c2ccc(Cl)cc2)CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1563138359 FDJRLMCTRZMIND-UHFFFAOYSA-N 433.737 4.955 30 10 IJEE C#C[C@H](NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F 1564840802 CCHLEFOBRBMMPV-KRWDZBQOSA-N 442.705 4.788 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(Br)cc1 1564999185 HRMLGMGKXSOIBA-RJGXRXQPSA-N 449.348 4.898 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c(OC)c1 1565895022 CEHWUSPXGBNIKJ-UHFFFAOYSA-N 448.607 4.850 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OC(F)F)cc1Br 1584329156 FHDGRYZROHUPCV-UHFFFAOYSA-N 431.620 4.593 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[C@H]1C 1587599834 RJXWGQCGCBIVCY-VYDXJSESSA-N 431.378 4.610 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(NC(C)C)CC1 1587893758 HWAGYGKZRDCDEL-UHFFFAOYSA-N 432.037 4.604 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCSC1 1588181086 OKTQCQMGJHBLPF-OALUTQOASA-N 443.016 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(COC)CCCCC1 1588205521 ORNZFCHOLBBHSH-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1oc(CC)nc1C 1589150943 OEDJHVRFNHDKPD-FQRUVTKNSA-N 447.583 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1cnc(C)s1 1589614764 FUOGBAVYVPXFIT-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCC2(CCCC2)C1 1593757901 QLRLGMMNZKTTQW-UHFFFAOYSA-N 438.616 4.825 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCC=CO2)CC1 1594035317 HTMSJZBCRVWOSZ-QGZVFWFLSA-N 445.361 4.565 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC(OC(C)(C)C)C2)CC1 1594128350 PUWUSPWTQJIUEU-UHFFFAOYSA-N 449.599 4.869 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C#N)o2)CC1 1594194604 XJUIOUAOXJJLMP-GOSISDBHSA-N 447.539 4.732 30 10 IJEE C=CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](F)(C#N)C1 1594582933 WNNZKTHZNJNKOD-DEOSSOPVSA-N 435.503 4.915 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)cc1)C1CC1 1595027093 XYSXDNVABNVZIS-UHFFFAOYSA-N 430.325 4.572 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC[C@@H]1CCCCO1 1595075832 LDPXPQIEUBSLLU-QFIPXVFZSA-N 433.556 4.501 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)c(OC)c1 1595569802 YOWNHYVVDROXJK-UHFFFAOYSA-N 428.960 4.583 30 10 IJEE C=CCC1(C(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CCCCC1 1596352168 YAAHTQOAMOCVGS-UHFFFAOYSA-N 428.577 4.604 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Br)cc1O 1611098737 ARJPGYZGAXNBRX-UHFFFAOYSA-N 443.110 4.885 30 10 IJEE CCCC(O)(CCC)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C#N)CC1 1614419677 CZFNVGAJLLXYMC-UHFFFAOYSA-N 439.604 4.545 30 10 IJEE C=CCc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc(OC)c1OC 1624487620 FYJSHYSDLHWTFP-OAQYLSRUSA-N 428.960 4.653 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC)cc1Br)c1ccc(Br)cc1 1624937308 GPBSAYVJICHYSD-OAHLLOKOSA-N 438.119 4.716 30 10 IJEE COc1ccc(CN2CCCN(C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)cc1 1625087416 BLDYYMVDLDUCCA-UHFFFAOYSA-N 426.586 4.666 30 10 IJEE CC(=O)N/C(=C\c1cccs1)C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 1627430736 FZROBJJTKLWDSE-XKZIYDEJSA-N 433.508 4.778 30 10 IJEE COC(=O)c1cc(OC(C)C)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1628045519 CPGQTUGXTRSCJG-UHFFFAOYSA-N 434.448 4.556 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)CC 1628389052 MCSBOOSVGPGGBZ-JOCHJYFZSA-N 426.944 4.905 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccc(F)c(F)c1 1634453025 FXGMRDIVASPYPR-UYAOXDASSA-N 448.311 4.994 30 10 IJEE Cc1sc2ncnc(Sc3ccccc3C(=O)NCC3(C#N)CCOCC3)c2c1C 1637331791 FEOHGMHSVPBCNG-UHFFFAOYSA-N 438.578 4.510 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 1638333495 GABCNAFKJOWDDJ-WBVHZDCISA-N 437.378 4.771 30 10 IJEE C=CCn1c(SCCc2ccc(C(N)=O)cc2)nc2scc(-c3ccccc3)c2c1=O 1640693103 LKSCHJDKXKBNEF-UHFFFAOYSA-N 447.585 4.745 30 10 IJEE C=CCn1c(SCCn2cc(Cl)cn2)nc2scc(-c3ccccc3)c2c1=O 1640693338 UJVKQBRCOVGOPM-UHFFFAOYSA-N 428.970 4.953 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccc(Br)cc1 1641517164 BXQGLIKYXRQWGW-HSZRJFAPSA-N 448.316 4.945 30 10 IJEE C=CCn1c(SCC(=O)c2nccs2)nc2sc(-c3ccccc3)cc2c1=O 1643604316 CETGEQJCMRKBQH-UHFFFAOYSA-N 425.560 4.743 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(Br)c(O)c(Br)c2)c(Cl)c1 1648156190 YVGDPFKNQFUMQB-UHFFFAOYSA-N 429.495 4.804 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCOC1CCCC1 1649539154 KBTRSAWQNALINB-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE N#Cc1cc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)ccc1Oc1ccccc1 1661010516 GRIRQBJOMBIJDI-UHFFFAOYSA-N 441.466 4.715 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC1(c2c(F)cccc2F)CCCC1 1661300464 BBGDWYOUMOBTBE-UHFFFAOYSA-N 444.425 4.646 30 10 IJEE COc1ccc(-c2cc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)on2)cc1 1665855216 FOPZGQVAFBKVCS-UHFFFAOYSA-N 441.447 4.731 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 1668388907 AOQCJBRKTFJRJJ-RUZDIDTESA-N 437.540 4.767 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@@H]1CCOc2ccc(Br)cc21 1668910730 IXXIGJOMNKJMJE-JSFADZTLSA-N 431.374 4.886 30 10 IJEE COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(OC)cc1 1669147515 CDSAVXMOURSFSS-QFIPXVFZSA-N 445.475 4.785 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1669191783 MQJAJZSRRCHMIW-FKBYEOEOSA-N 442.604 4.768 30 10 IJEE C#Cc1ccc(S(=O)(=O)NC2(c3ccc(Br)c(C)c3)CCCCC2)cc1 1669768897 BDVJIMWQWUUXSM-UHFFFAOYSA-N 432.383 4.877 30 10 IJEE N#Cc1cccc(CNC(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 1673345495 ICYJAGGZBCQPRN-UHFFFAOYSA-N 449.308 4.895 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1673507655 CNAFROZZZJCEQR-BHIFYINESA-N 440.588 4.515 30 10 IJEE C=CCOc1ccc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 1675923396 NOMQCROMRBWMAI-UHFFFAOYSA-N 448.485 4.818 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)cc(OC)c1OC 1676275595 XYJGUHCKLPUGBS-MRXNPFEDSA-N 428.960 4.957 30 10 IJEE C#C[C@H](NC(=O)NCc1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 1677767364 SZPDSUJGRPGJRI-AWEZNQCLSA-N 434.746 4.886 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)c3ccc(Br)cc3OC)cc2n1 1680704364 SBZRWUAIOBXFGK-CYBMUJFWSA-N 429.318 4.876 30 10 IJEE C#CCN(C(=O)NCC(C)(C)C(F)(F)CC)[C@H]1CCOc2ccc(Br)cc21 1687312421 GAHLJPJSCBUKAZ-INIZCTEOSA-N 443.332 4.989 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690026680 IIHNKLHBOQTHRN-VQTJNVASSA-N 444.501 4.840 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1C1CCCCC1 1690082840 QDJWXSNTOBQQNZ-RUZDIDTESA-N 433.644 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1ccccc1OC 1690241920 YYFAQVJWNCLQCB-OFNKIYASSA-N 436.556 4.515 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCc2cccnc21 1690517918 UECUBRFODQREMT-GOSISDBHSA-N 425.483 4.684 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1690528815 FGQDPVINJOPRBC-UHFFFAOYSA-N 445.583 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCn2cc(C)nc21 1690588452 WMVBOASJPIELDD-KRWDZBQOSA-N 440.954 4.999 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccoc1 1690604249 QQULIASIZKVGFD-UHFFFAOYSA-N 445.523 4.617 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC)n1Cc1ccc(N2CCCCCC2)nc1 1690604280 RILMYRLHKBTQRQ-UHFFFAOYSA-N 444.627 4.899 30 10 IJEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1692728061 BTYNBOCLHYTOSF-HXOBKFHXSA-N 444.986 4.600 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(C(F)(F)F)c2)C1 1694856845 HZIGTZWCDPPIIZ-MRXNPFEDSA-N 440.473 4.905 30 10 IJEE CCN(CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N)C(C)C 1695751469 DHQHRYCYNUMWFI-GOSISDBHSA-N 428.650 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1CCC(OC)CC1 1705477444 OGOYKDYVDJQHNZ-NQAMIAIDSA-N 428.552 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(OC)c1 1705481525 IJGNJJKQORKPDC-MSOLQXFVSA-N 434.609 4.841 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(OC)CCCC1 1705501663 LUBIICIOGYNKBT-OAHLLOKOSA-N 437.371 4.581 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC)Cc1ccc(F)cc1F 1705703717 ONKJDCGSEVGHJH-GCJKJVERSA-N 441.526 4.949 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CCC1 1705704552 WIJDKPKDQSWECW-XLIONFOSSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705705892 MNZDXCQOTADTOM-PTLVVNQVSA-N 444.645 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C(F)(F)C12CCC2 1705711502 MVQPZZOYUIPFPW-OAHLLOKOSA-N 440.336 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCC[C@H](C)C1 1705720094 WXSNOFXMMUFBNH-IBGZPJMESA-N 432.012 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705788672 JFJVPTWSZWJDDU-GAJHUEQPSA-N 430.980 4.585 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1CC 1705817214 FFYFJGIDFLLIDF-ZCNNSNEGSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1705824272 LIGYSADWCNTLRW-PLACYPQZSA-N 430.637 4.947 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1705840779 BYVASPAHLZFTNG-UHFFFAOYSA-N 434.588 4.684 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1CC(F)(F)F 1705867251 KLANMPBXKBTGFV-UHFFFAOYSA-N 426.439 4.813 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1CCC(F)(F)CC1 1705882912 OYUKSERVAZXTIA-UHFFFAOYSA-N 441.526 4.958 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC(C)=C(C)C2)cc1 1705910897 QYNDDNQKSZSJHO-UHFFFAOYSA-N 435.597 4.793 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](OC)C(C)(C)C)C1 1705921523 UGKXFSRDVMDOGY-QFBILLFUSA-N 436.959 4.580 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1705947443 LDRZTSZACADEGS-JOCHJYFZSA-N 435.597 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C1CCCCC1)N(C)C 1722281759 VQMXOABBKMBTKM-CPJSRVTESA-N 444.627 4.770 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC2(CCCCC2)O1 1722283606 SXWSRODOZNXCJZ-IEBWSBKVSA-N 442.991 4.947 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)C[C@H]1CCCO1 1722311134 SYKILRSRRQDLPQ-UYAOXDASSA-N 426.630 4.940 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCc2[nH]c3ccccc3c2CC1 1722477965 MXUOOXRPEVTGEM-CQSZACIVSA-N 428.378 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(F)cc1F 1722495175 QFJCDSRPUNRXRQ-UTKZUKDTSA-N 428.483 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C(C)(C)C 1722517397 QFNWTQBBQVGZHZ-OALUTQOASA-N 449.640 4.814 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1722530074 LVEZVFNKTCZDIL-PMACEKPBSA-N 442.604 4.816 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1conc1COC 1722668700 XOCSROCWJPRXBT-UHFFFAOYSA-N 434.327 4.613 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)C1(C)C 1728918290 BRRSOJQUJFUXNO-HBMCJLEFSA-N 439.604 4.518 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC1CC(OCC)C1 1740542764 ZJHUMXRMWQYZEP-HPUBIQBYSA-N 449.368 4.510 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCCCC2)C1 1740584529 HNEHOLLDYJVTPE-IBGZPJMESA-N 426.536 4.510 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS[C@H](C)[C@@H]1C 1740584924 SUDUZDQMMVARNW-RBUKOAKNSA-N 436.581 4.861 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1Cc2ccccc2[C@@H]1C 1740591620 PZMLNFUMXDRTTD-IBGZPJMESA-N 449.599 4.887 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCS1 1740645437 NAGWEMHBLPRMDE-LJQANCHMSA-N 431.030 4.582 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCc1ncc(CC)s1 1740677706 ZPGNEMLGJJMZIJ-UHFFFAOYSA-N 437.588 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1C/C=C/CC 1740734434 DURWAFCDMAEXDR-IRUYWQDXSA-N 429.362 4.578 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1740787900 LYHXPXHENWRFHZ-CTNGQTDRSA-N 425.533 4.605 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1740832668 FZWKWUCZZYZZFN-CQSZACIVSA-N 434.487 4.572 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2ncc(CC)s2)CC1 1740840107 WNRPJZAUWTXTEE-UHFFFAOYSA-N 443.567 4.811 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740859771 QNDCCZXIZCWBFC-QFIPXVFZSA-N 435.616 4.800 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(OC)C1 1740866125 XHAOQNDZJRVSJZ-UHFFFAOYSA-N 425.360 4.745 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nnc(C)s1)C1CC1 1740914048 ZXFZCFCYAYCCCT-UHFFFAOYSA-N 438.601 4.652 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1740998633 PDINMPXTBPCWPB-IBGZPJMESA-N 438.601 4.755 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1741001077 KOBXPVMZJASCRR-UHFFFAOYSA-N 447.048 4.996 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1741770412 BDZHKOARNYTSMP-URKNILKWSA-N 436.304 4.506 30 10 IJEE CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1744292773 GLFWEIJONFTCPY-JOCHJYFZSA-N 437.588 4.679 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)N(C)C 1749058736 PHSARMQUYTUUTJ-BXKMTCNYSA-N 437.588 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(C)cs1 1749132706 CGCKZDBFZMFDQN-XXBNENTESA-N 440.588 4.996 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CCCCC2)CC1 1749184435 VXGRGIWMBAHQHT-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C)c1 1749189392 IHCYWFLSHNOXIR-NRFANRHFSA-N 439.604 4.914 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1cccs1 1749587464 VPXYTQPAYURIJV-HSZRJFAPSA-N 438.553 4.644 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC)(CC)C1 1749690009 PXNJETSPHAKKSJ-UHFFFAOYSA-N 448.615 4.769 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(OC(F)F)c(OCC)c1 1760119090 SZRGECIIXGOBPU-MRXNPFEDSA-N 432.515 4.517 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760140372 LKNDTCGVPJMKSC-XZOQPEGZSA-N 438.591 4.986 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1760142220 VXCXKNBFUDVVAO-DHIUTWEWSA-N 436.600 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc2c(n1)CCCC2 1760198162 YVSKLTIXTLTDAK-UHFFFAOYSA-N 437.591 4.638 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1760300123 AENROTMBEAPALV-INMHGKMJSA-N 449.393 4.818 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760304401 SYIAIDDIMPNMGL-HXUWFJFHSA-N 437.357 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1760322405 SFGJSJAIFFLTPN-QPPBQGQZSA-N 436.600 4.847 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(CN3CCCCCC3)CC2)nnc1C(C)(C)C 1760327767 LQZVBEOKPVTAEX-XZOQPEGZSA-N 443.680 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1760340701 KSLLZRMQADNZLG-URXFXBBRSA-N 426.605 4.937 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(C)c1C 1760341751 UYKJUUSFDXOEJC-SFHVURJKSA-N 442.995 4.943 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@](C)(O)c2ccsc2)CC1 1760382540 SHFWLKPYRCQSAS-SBUREZEXSA-N 442.560 4.683 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CC2CCN(Cc3cccs3)CC2)CC1 1760389205 FZAOMNSYIZDWEM-UHFFFAOYSA-N 427.662 4.997 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCc2sccc2C1 1760429516 FXDITMSCPLWMNH-UHFFFAOYSA-N 441.626 4.640 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1Cc1cn2ccsc2n1 1760480211 NZXPSIIVTVPFPX-UHFFFAOYSA-N 445.596 4.688 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1760491500 JKJXPSTZNMJBRW-LJQANCHMSA-N 441.576 4.672 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCSC2)C1 1760537786 QFASLBNAUWIDIE-PCCBWWKXSA-N 442.629 4.569 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCCC2)CC1 1760566912 JLSUMMNMQWIMIP-UHFFFAOYSA-N 439.673 4.551 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1771528588 CDULMRCJAOQZHF-BIENJYKASA-N 425.405 4.820 30 10 IJEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@](C)(O)C(C)(C)O)C[C@H](O)C[C@@H]1O 1775953642 KRGCLKZOZQUAFK-AEGUBONJSA-N 444.656 4.842 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1Cl 1862503094 PNBCNKKJKCTOGK-NRFANRHFSA-N 444.934 4.708 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1O 1862549403 OHNAGZOVJWVOCV-QHCPKHFHSA-N 435.520 4.514 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccc1Cl 1862569054 FDZFIPGRUWCQKX-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccs2)cc1 1862626419 BBQRNUQIARNGDF-QFIPXVFZSA-N 447.512 4.818 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(F)c2)cc1F 1862637352 FHENZVJUFOUKHU-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C(=O)O)cc1 1862678989 TYIVPWMKDAPIGY-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)OCCO2 1862719805 OZSNKDGHBSMXFK-XMMPIXPASA-N 443.499 4.845 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862725441 JEWBOWWATUBOTI-WAIKUNEKSA-N 447.918 4.966 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 1862748562 FBICIMPKSIOAQM-JOCHJYFZSA-N 446.434 4.555 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccccc2Cl)C1=O 1863083074 FSZDFBBUOPNWRS-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)cc1 1863315934 YFUNPCMWCWFDGV-UHFFFAOYSA-N 443.453 4.580 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)c2ccc3c(c2)CCCC3)=C(c2ccc(OC(C)C)cc2)C1=O 1863695701 VPTVFUTVEUSSJU-IBGZPJMESA-N 444.575 4.969 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)c2ccc(OC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863727655 YXQPRHWGALZOEZ-ZDUSSCGKSA-N 431.319 4.619 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2cc(Cl)ccc2O)c(Br)c1 1866106503 QCEDOHWSQFCNQE-UHFFFAOYSA-N 430.483 4.695 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(Cc3ccc(C)cc3)CC2)nc(-c2ccccc2)n1 1867972707 RWPMMOKFYBTXNQ-UHFFFAOYSA-N 439.607 4.953 30 10 IJEE CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)cc1 1870145816 QNZHINSGUQEELN-CYBMUJFWSA-N 444.322 4.975 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CSCc1ccccc1 1870269080 XMVZOYWREHQZMO-UHFFFAOYSA-N 437.561 4.934 30 10 IJEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(OC)cc1C 1871050939 IHAJGXRLWSSPLF-UHFFFAOYSA-N 434.536 4.594 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1ccc(C)c(C)c1 1871186994 QEAJPNXLVJESNZ-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1ccc(C)c(F)c1 1871237174 GPZJFNWOHYHFKR-UHFFFAOYSA-N 449.526 4.728 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H]3COc5ccccc5O3)CO4)C2=O)c1 1871353269 OLLRNLUWNSMSOA-VPCUTTBHSA-N 441.483 4.603 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)cc1 1871385852 PLKHGRBCSZQJKQ-HAHDFKILSA-N 428.440 4.628 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871912468 WGGSCYKFXRFIMI-FDDCHVKYSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872151687 ONOCXEFNQXXSTG-QFIPXVFZSA-N 429.586 4.765 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 1872278792 XOEAOKQIBVRSEW-OAQYLSRUSA-N 448.588 4.790 30 10 IJEE CCCCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 1872721800 VFYRGNXNLJDSLP-UHFFFAOYSA-N 434.577 4.686 30 10 IJEE Cc1ccccc1/C=N/n1c(CCc2cccc3ccccc23)nnc1SCCCO 1874233874 GSFGIBXXGYFOMR-NLRVBDNBSA-N 430.577 4.882 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(C(F)(F)F)cc1 1874296766 RJRBVNDXPTWJOI-ZMOGYAJESA-N 447.442 4.956 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874303632 JWEXBVVCNCLJBF-OEAKJJBVSA-N 437.525 4.726 30 10 IJEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc(OC)c1OCC 1874346987 QDHZMFHMZMDUCE-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874411092 HKIUHPPDHSQECR-OEAKJJBVSA-N 434.993 4.982 30 10 IJEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)ccc1O 1874437303 UIVIJDPAHCQYJC-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1cccc(O)c1 1874476263 IBFQTYBFBCQNCW-BUVRLJJBSA-N 437.569 4.502 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874488900 OWURWCHCYJGGSM-YDZHTSKRSA-N 427.961 4.743 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1OC(C)C 1874504332 MNUHOJPZRZQVIC-BUVRLJJBSA-N 437.569 4.631 30 10 IJEE CCCSc1nnc(C(C)C)n1/N=C/c1cc(Br)c(OCC)c(OC)c1 1874514670 FVMVTBMPLKBKQD-RGVLZGJSSA-N 441.395 4.956 30 10 IJEE CCOc1c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CC2)cccc1OC 1874518053 YXUADVPIQQFCNI-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(Cl)cc1 1874522463 UZXAWWKEFSHTLV-FSJBWODESA-N 427.961 4.724 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874535815 XOVVGGIZWKIOLO-HJQVIKLGSA-N 448.379 4.745 30 10 IJEE COc1cc(/C=N/n2cnnc2SCc2c(F)cccc2Cl)cc(Cl)c1O 1874540400 NKVFMHCSRGZGBI-QPJQQBGISA-N 427.288 4.613 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCC(=O)OCCC 1874607018 RJYBZERNALCOMV-PKNBQFBNSA-N 438.520 4.969 30 10 IJEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 1874610825 NMCFCYQSJJNUIS-QJKHOBJASA-N 430.460 4.747 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874698207 LFNWAEPDGSENSL-NTUHNPAUSA-N 433.416 4.727 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 1875104119 HKTYTJMIQDBCRG-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)COc1ccccc1 1875119968 VSERVUZTYYQIRZ-FYWRMAATSA-N 432.472 4.974 30 10 IJEE C#Cc1ccccc1[C@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1952873049 VWLPDASNOVLYJU-NDEPHWFRSA-N 437.495 4.645 30 10 IJEE CC[C@H](C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 1961710899 XXTCAIVJCXBVRG-INIZCTEOSA-N 445.210 4.948 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1984694271 JFSVWPGKEHINBV-ZVOWCHSISA-N 445.563 4.844 30 10 IJEE CC[C@]1(Nc2ncc(Br)cc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2043971788 RIOBXZTYQFJLNM-NRFANRHFSA-N 443.345 4.709 30 10 IJEE CC1(C)OB(c2cnc(Sc3cccc(Cl)c3)c(Br)c2)OC1(C)C 2052600063 RCFSGFCWORQEQX-UHFFFAOYSA-N 426.572 4.948 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2ccc(Cl)c(Br)c2)C1 2063052371 VCDWAJAUQDRSEK-MRXNPFEDSA-N 429.786 4.833 30 10 IJEE COc1ccc(-c2cc(N)n3nc(C4CCCCC4)c(C#N)c3n2)c(Br)c1 2081431125 NTCHGFZOSDJIBE-UHFFFAOYSA-N 426.318 4.669 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)cc(F)c2C#N)CC1(C)C 2118199516 SYYVXFDUJNLKNF-INIZCTEOSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1c1cc(Br)cc(C#N)c1 2174809994 HDKLGGLOUJGDCT-QGZVFWFLSA-N 448.283 4.747 30 10 IJEE CC(C)(C)OC(=O)NC1(CCC(=O)Nc2ccc(Br)cc2C#N)CCCC1 2181103648 QNPIIUMBSIZCIT-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Br)cc2C#N)cc1 2181139623 PVYDDJYLJGVWOG-UHFFFAOYSA-N 430.302 4.849 30 10 IJEE CC1CCC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)cc2Br)CC1 2194365323 AOROJPFBLCIMRE-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE C=CCC1([C@H](NCC)c2cc(Br)nn2C(C)C)CN(C(=O)OC(C)(C)C)C1 2232481830 CYOVMBMRMFNKEQ-QGZVFWFLSA-N 441.414 4.690 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]12CC[C@H]1CCN2C(=O)OC(C)(C)C 2235732874 SSGRCAYSUWAMCG-KPLVRAHFSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@H](O)C#Cc2ccccc2Br)C1 2235740646 QBTBQKBUCUJUNX-PKOBYXMFSA-N 436.390 4.835 30 10 IJEE C=C(C[C@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)OC 2237402778 NUZWGFACNHBDLS-OALUTQOASA-N 441.410 4.803 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@@H](N)C#CC2CCCCC2)C1 2251402161 TUQBXOJPEFRLNA-JYFHCDHNSA-N 426.601 4.741 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2254789774 DZFGCGKOVZHZCD-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)c1 2255854603 DNUZWFDNHBGHGG-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)C(C)C 2296216305 JDJAFDLJTHSLKV-QUCCMNQESA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(O)C#Cc2cccc(Br)c2)C1 2296225547 WFJWFPKCKMIARS-FGZHOGPDSA-N 434.374 4.733 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)C#Cc2ccc(Br)cc2)C1 2296275296 YVASOTIWIXSWKV-JTSKRJEESA-N 432.358 4.797 30 10 IJEE CCc1ccc([C@H]2C(=C(O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 2296348675 KAQMBPBZAUZKEA-QKKBWIMNSA-N 446.528 4.655 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2306617147 JILPDEAAQTWHPB-RPBOFIJWSA-N 428.573 4.699 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C(=O)C=Cc3cc(OC)c(OC)c(OC)c3)cc2)cc1 2314429364 FMBUWQRCPBDIBW-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2321993783 BLMPRBHFOWBWMT-UHFFFAOYSA-N 435.501 4.604 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(CCCCN(C)C)CO2 2322122690 UUXXYYRFDPKXRK-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE Cc1ccc(C(=O)C=Cc2cc(Br)cc(Br)c2OCCO)cc1 2322591622 SGEBLJIHAAAWPG-UHFFFAOYSA-N 440.131 4.787 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)CC(C)C)c3C)C2=O)c(OC)c1OC 2323767273 VSCCOTIKWFAMLQ-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)NCCC 2323985328 CXESWDDLBBXZCF-UHFFFAOYSA-N 425.500 4.672 30 10 IJEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2324484177 ICVDKNVWNDMHGC-QGZVFWFLSA-N 428.488 4.975 30 10 IJEE SC[C@@H](COCc1ccc(I)c(Br)c1)C1CCC1 2325381218 KGBRRIIZIRJUGC-GFCCVEGCSA-N 441.172 4.916 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325449002 CHEXCKIOVDNRRU-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2325731427 OOHPGIWFKOJHQB-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)Cc1ccc(C)cc1 2325744736 WGUULBDWWXGRBY-UHFFFAOYSA-N 444.483 4.819 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(F)cc3)c2)c(OC)c1OC 2325786253 CKATXAMDJNQAFW-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1ccc(OC)c(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)c1 2326561689 MGSMJUDBMQVBLG-UHFFFAOYSA-N 432.549 4.838 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(OCC(C)C)c1 2326821074 LDFAGZOFSRIIMK-UHFFFAOYSA-N 439.541 4.958 30 10 IJEE CCOc1c(C=Nn2c(COc3c(C)ccc(C)c3C)nnc2SC)cccc1OC 2327235211 JECPSUMPCZDVIG-UHFFFAOYSA-N 440.569 4.794 30 10 IJEE OCCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1c[nH]c2ccccc12 2327987679 XULDDELMUXEUMY-UHFFFAOYSA-N 439.972 4.555 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2N=Cc2cccs2)cc1 2328988574 FTBFEQZSZSAXLZ-SFHVURJKSA-N 439.610 4.547 30 10 IJEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1cccc(OC)c1OCC 2329353478 ONRLSPRONIJBRV-UHFFFAOYSA-N 440.569 4.787 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(Cc2ccc(C)cc2)nnc1SCCCO 2330023023 GPPBTJVKQTZFFS-UHFFFAOYSA-N 446.576 4.696 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1OC 2330705951 YKCGIHRTGXCEMG-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1OC 2331170345 UOCSJZQQSPTMDM-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccccc1F 2331352090 CJKJKQNDWOMDHU-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2)cc1 2331440299 ATEDQMMRQANFNQ-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C(C)C)cc1 2331449014 BPOKVZZMUYXEMN-UHFFFAOYSA-N 442.614 4.670 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2)cc1C 2331488535 CNPMVQBYQRDFBO-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CCC2)cc1 2331541368 SWJZYCLVXXPPEF-UHFFFAOYSA-N 430.574 4.508 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCC2)n1N=Cc1c(Cl)cccc1Cl 2331546321 KDHXAXXJYMPCHH-UHFFFAOYSA-N 427.357 4.780 30 10 IJEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](C)N1C(=O)OC(C)(C)C 2339596522 JPAGFFFFOBLHRJ-IZGBJUCLSA-N 443.397 4.560 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3cccc(Cl)c3)nn1[C@H]2c1ccc2c(c1)OCO2 9731843 AYOKKNLWCIPRPA-NRFANRHFSA-N 448.910 4.985 30 10 IJEE C=C(C)CN1C(=O)[C@@H](C)Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21 12229377 WMKCSKHEZFRZDP-CYBMUJFWSA-N 435.307 4.701 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)cc1 29984884 RANYCLNKWVILEV-UHFFFAOYSA-N 436.515 4.715 30 10 IJEE C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC 36308422 CNVNWVGJKBALJK-URXFXBBRSA-N 447.579 4.584 30 10 IJEE CC(=O)C1=C(C)/C(=N\Nc2cccc(C(=O)OCc3c(F)cccc3Cl)c2)N=C1C 100770049 GNUBCBIDIXDLNR-SZXQPVLSSA-N 427.863 4.942 30 10 IJEE COc1cc(/C=N\Nc2nc(C)c(C)c(=O)[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 169895991 BYPJAZKNKDFFAF-VROXFSQNSA-N 447.322 4.727 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 169964428 SJDPRZIIBKKUEN-QHCPKHFHSA-N 431.463 4.872 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccnc2)c1 170000820 AUKXCYCUGZMOLN-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170044068 GPNYVYBGFZYNQL-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2c[nH]c3ccccc23)c1 170077068 FHWAMTANYBAVCQ-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@H]1c1ccco1 170094828 SIAPEOOEDJGZSG-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE CCOc1ccc(C2=C(Nc3cc(C)cc(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170114083 LMRYPTWENVDTPQ-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccco1 170123340 IYAWJCHLGFWWOU-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(O)cc2)cc1 170133218 NQVOLYIPTFSQCU-XMMPIXPASA-N 441.483 4.809 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)c(OC)c1 170145323 BZSNSLCGSWRCEP-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170149535 ZOYKHTUNSANXSZ-FQEVSTJZSA-N 427.928 4.862 30 10 IJEE CCCCOC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)cs3)=C2N)cc1 170180048 MDBODRMKKOBKSB-UHFFFAOYSA-N 447.560 4.792 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(OCC)cc1 170213807 MMBPIBRMUMHXJW-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1C(C)(C)C 170291970 UGMGRYSUWVCXPI-NRFANRHFSA-N 435.476 4.957 30 10 IJEE COC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)S/C(=C\c2ccc(C)cc2O)C1=O 210368010 ZSZDIWQVTRKDPC-YBEGLDIGSA-N 435.423 4.873 30 10 IJEE Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1N=Cc1c[nH]c2ccccc12 254871081 NWXFUIHRLJMBFA-UHFFFAOYSA-N 445.486 4.783 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1 435754170 VEUOZLLDFGNRFT-UHFFFAOYSA-N 439.493 4.564 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 475547672 KWXWBABDGRJNAT-KRWDZBQOSA-N 429.586 4.672 30 10 IJEE CCc1nc(C(=O)Nc2nc3c(cc2C#N)CCCC3)nn1-c1c(Cl)cccc1Cl 484145617 MIYDQOBBHIZWSY-UHFFFAOYSA-N 441.322 4.534 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 508475372 YXELDYWXTMEVRL-UXHICEINSA-N 434.540 4.556 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NCCc3cccc4ccccc34)c2)cc1 523073076 RBAZFDVDLLQHOH-UHFFFAOYSA-N 435.483 4.801 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC(C)=O)cc2)c1 526515556 JRHDZCWUNAVYAE-DEOSSOPVSA-N 440.455 4.549 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 526516581 PNZRGKPGJZSTBW-JOCHJYFZSA-N 427.416 4.532 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)cc1 526657021 FZNWXPCWVNPGCO-UHFFFAOYSA-N 441.512 4.946 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(=O)OCC)o2)cc1Cl 526829612 RJNXAJVSMNJVRA-KSEXSDGBSA-N 448.932 4.665 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccccc1C 526830326 GEIYJQBBYTTYQS-UCQKPKSFSA-N 426.542 4.873 30 10 IJEE COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 542420880 BEUPGFSYXDENJY-LJQANCHMSA-N 444.329 4.715 30 10 IJEE C[C@H](NCC#CCN[C@@H](C)c1nc(C2CCCCC2)no1)c1nc(C2CCCCC2)no1 551703442 AABOLFADZQVHCA-ROUUACIJSA-N 440.592 4.553 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N(C)Cc1cnccn1 555259296 YHZLZVOXSARVAG-UHFFFAOYSA-N 437.507 4.756 30 10 IJEE C[C@]1(c2ccccc2)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CCO1 558900869 IQILIHXVXDKDSM-HHHXNRCGSA-N 435.531 4.617 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@@H](C)OC)no1 573341871 WWAOMPJLECKFMJ-CQSZACIVSA-N 448.980 4.527 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3cccc(OCC)c3)C2)c1 586006739 TWIBRQLATVXSNO-QHCPKHFHSA-N 449.595 4.958 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1ccc([N+](=O)[O-])cc1Br)C2 712805899 LFDGTYIHMMPLQV-KBPBESRZSA-N 436.306 4.681 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 732427615 FLYACHFHPOIBLM-GOSISDBHSA-N 436.512 4.790 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OC)c(-c2ccccn2)c1 754817166 ITBXQOOFMFLPRO-OAQYLSRUSA-N 427.504 4.843 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(F)cc2)[n+]2cc(O)cc(Cl)c2)cc1 762444641 ARRVRAUFVNMLIP-UHFFFAOYSA-O 426.880 4.667 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)n(C(C)C)n1)c1ccc2c(c1)OCCO2 1124367740 ISRIIJMTFCIJCR-UHFFFAOYSA-N 447.535 4.955 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 1125779787 GUMFLIYXYBBCNE-UHFFFAOYSA-N 449.717 4.510 30 10 IJEE COC(=O)c1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1C(=O)OC 1126621046 AJOHGMFVPLMLNC-UHFFFAOYSA-N 446.484 4.535 30 10 IJEE C=CCC[C@@H](NC(=O)CN(CCOC)C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1127411758 SXCNNVKENSDADU-GOSISDBHSA-N 444.494 4.712 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)C(=O)OCC 1132934696 SKRDCDGGEFOYMV-JOCHJYFZSA-N 448.519 4.547 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(Br)cc2OC(F)F)c(OC)c1 1134769384 MHZWDULCYVWUAS-UHFFFAOYSA-N 442.256 4.805 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCc3ccc(Cl)cc3)CC3CC3)n[nH]2)c1C 1146284968 PVGUKBLUZZYTPX-UHFFFAOYSA-N 437.975 4.824 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(Br)c(CO)c2)s1 1164011233 JPKRQWAPOJFQAN-UHFFFAOYSA-N 447.807 4.732 30 10 IJEE C=CCN(CC1CCCCC1)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1190986475 YSGFCUKYYGKBAF-SFHVURJKSA-N 430.548 4.857 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1 1218059023 AXDLSTUOBVZKRQ-RUZDIDTESA-N 429.545 4.877 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 1220476971 CISXIKXPXHQEMD-XMSQKQJNSA-N 431.536 4.514 30 10 IJEE C=CCn1cc(CNC(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nn1 1230271568 HRIVNGAQICVVBI-UHFFFAOYSA-N 430.339 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286291915 WROSEVDXIVVEPZ-VQTJNVASSA-N 449.599 4.501 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccnc1OCC 1286303688 CBZZOFHGPWLILO-MRXNPFEDSA-N 441.988 4.524 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCSCC(F)(F)F)CC1 1286664402 WXWABSBQDLSMHO-UHFFFAOYSA-N 440.535 4.863 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCO[C@@H]1C(C)C 1286721057 YRNFGNBCWHWIBN-KBXCAEBGSA-N 437.357 4.530 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](CCC)OC)C1CC1 1286734896 IXMICQSCHXOKMG-GOSISDBHSA-N 433.394 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCCC1 1286752165 XDIPUIPJGKJHGL-WOJBJXKFSA-N 444.645 4.756 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC=CCC2)C1 1286813710 AFMYRPAIMLKOEE-WOJBJXKFSA-N 440.613 4.717 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1286831239 WKDHPBKOZGTQDY-REWPJTCUSA-N 439.673 4.954 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CC2(C)C)c1 1289461713 HQKVOQKBYKEYAK-HOYKHHGWSA-N 425.552 4.777 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl 1295754252 ATVIDNVXDGIDIG-RRQGHBQHSA-N 431.360 4.568 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1300352540 MMCRTHOWXFGMPY-HXUWFJFHSA-N 437.588 4.503 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1300423101 HWOZVZCEEMSZPL-OAQYLSRUSA-N 434.613 4.639 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C(C)C)C1 1300983365 XQTPKROCAHPUDL-QGZVFWFLSA-N 433.394 4.783 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1300999974 MGJZGCMCFZILSY-SANMLTNESA-N 447.583 4.648 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CCC2)CC1 1301135732 PRZTVPISPRXVKL-KDURUIRLSA-N 429.609 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301154295 ONPHKCRTXVWDPH-JOCHJYFZSA-N 435.547 4.583 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1)C(C)C 1301368002 WSSRGERIWLNLEG-PKTZIBPZSA-N 443.680 4.886 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1301542192 LAWFZFCZMUFVKQ-SFHVURJKSA-N 448.445 4.575 30 10 IJEE Cc1cccc(CCCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@H](C)CC#N)n1 1304485753 HPQOIAINCSRRCE-LJQANCHMSA-N 441.539 4.675 30 10 IJEE C=CCSc1ccccc1C(=O)NCC[C@H]1C(=O)N(Cc2ccccc2C)N=C1CC 1306838130 CSWRXPITZGDXQP-HXUWFJFHSA-N 435.593 4.818 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 1348612009 YWHQSTIDPOUUBV-UHFFFAOYSA-N 429.472 4.559 30 10 IJEE CC1CCC(N2C[C@@H](C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)CC2=O)CC1 1350946399 BYQUMPAJZKQWFD-VMQIMYIWSA-N 447.554 4.653 30 10 IJEE C=CCN(C(=O)c1cc(I)ccc1Br)c1ccccc1 1352312283 RKZRJGVVZHHUPV-UHFFFAOYSA-N 442.094 4.887 30 10 IJEE C=CCN(C(=O)C[C@@H](C)n1cc(Br)cn1)c1nc(-c2ccccc2)cs1 1355120188 RELMGFBTCPGXQF-CQSZACIVSA-N 431.359 4.939 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)Cc3ccc(Cl)cc3Cl)cc2C1=O 1355494582 SPOSTCYEKZDJRS-UHFFFAOYSA-N 431.319 4.527 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1 1355767651 INEPLOAEGHCOEG-LOSJGSFVSA-N 429.539 4.651 30 10 IJEE C#CC[C@]1(C(=O)NCC2(c3c(F)cccc3F)CCCC2)CCCN1C(=O)OC(C)(C)C 1358361667 FOEFAWDOBXVYNA-RUZDIDTESA-N 446.538 4.686 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C2CC2)C1 1359060760 GZJFBBWJUOSXJE-OAQYLSRUSA-N 438.641 4.892 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1359084125 YNWHANNIJOCEPX-RBUKOAKNSA-N 431.378 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@@H](OC)C(F)(F)F 1359111965 UDQDAKMUKCYOTM-LJQANCHMSA-N 449.477 4.970 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1359116160 ANLOXVIYIFCDFH-WOJBJXKFSA-N 447.624 4.712 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359117646 MIBQLRNXSZVGCN-GHTZIAJQSA-N 428.577 4.644 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@@H]1CC 1359128447 UMPVBPYEJCROHB-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1359136097 ZAJDCTJHEYXCRU-ISKFKSNPSA-N 443.680 4.694 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@H]1CC 1359149676 GCGHREKWJWOSNG-KBAYOESNSA-N 438.016 4.770 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1359175397 KCHWGJKNQVTWJO-UHFFFAOYSA-N 448.571 4.827 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CC1 1359181278 MWJXGRAJNBPLPM-UHFFFAOYSA-N 441.526 4.957 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 1359194911 CZMFGAFCYAHEDT-REWPJTCUSA-N 431.584 4.628 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccsc1)C1CC1 1359250820 UWLAHHNPIZSRBB-SFHVURJKSA-N 443.617 4.657 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@](C)(O)c1cccs1 1359261721 SXYWGBCLIBBDLS-QHCPKHFHSA-N 426.561 4.532 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CCOC)CCC2)C1 1359317536 LCWXNPSZRVZKEY-GOSISDBHSA-N 430.980 4.587 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC2CCCC2)CC1 1359339003 PBVSYEQNUFPAPO-UHFFFAOYSA-N 448.036 4.841 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(c2ccccn2)CCC1 1359466376 AFGBWURPQQDJOU-MOPGFXCFSA-N 448.546 4.670 30 10 IJEE Cc1nc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@@H](C)CC#N)sc1C 1360902141 DECUAQLGEURUSJ-KBPBESRZSA-N 440.642 4.991 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(OC3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1434986840 DCLKFJMHKBLNSR-SANMLTNESA-N 440.584 4.807 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc3c(c2)C(=O)CCCC3)nnc1-c1ccco1 1436844930 LVAFRMMEOBTRMH-UHFFFAOYSA-N 436.537 4.754 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nccn1-c1ccc(OC)cc1C 1459042697 UIRRSPORIAIJNP-QGZVFWFLSA-N 427.595 4.946 30 10 IJEE C=CC[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 1459457121 YTAAVUVEVIHWSZ-SFHVURJKSA-N 437.279 4.882 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)cc1OC 1462169937 YMVXEPVHOZIHOH-UHFFFAOYSA-N 432.351 4.761 30 10 IJEE N#Cc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)ccc1C(F)(F)F 1463550494 DAXXWOKHSLXGFT-QKNQBKEWSA-N 434.483 4.924 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 1464560234 HLUFOUVTQWXVIG-QGZVFWFLSA-N 427.372 4.694 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1464652369 UFUJSHXLGUTAOI-FQEVSTJZSA-N 425.529 4.618 30 10 IJEE CCCN(C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC)[C@H]1C[C@H](OCC)C12CCCC2 1466880597 HGCKBAKGWOXFCO-OALUTQOASA-N 444.576 4.538 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCCc3c[nH]c4cccc(Br)c34)cc21 1467381468 MANXAKGPUDDFBG-UHFFFAOYSA-N 438.329 4.830 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1468237360 AJNZOKWDRHJDJE-HSZRJFAPSA-N 435.568 4.695 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCc3ccccc3Sc3ccccc3)CC2)c(F)c1 1468700685 BVMNKXHPGKQBJH-UHFFFAOYSA-N 446.551 4.880 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C 1469297196 VBSYVXQHWZGVFE-OALUTQOASA-N 438.609 4.739 30 10 IJEE C#C[C@H]1CCCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 1477965975 NMMVNVAYJSABSW-AWEZNQCLSA-N 431.851 4.734 30 10 IJEE CCCc1nc(C)c(Cn2c(CSc3ccc(C)cc3)nnc2N(C)[C@@H](C)CC#N)o1 1500222527 CVDCHEAYFHBIKH-KRWDZBQOSA-N 438.601 4.914 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOc1ccc(Cl)cn1 1507524101 URMLDJKALVHUSH-QGZVFWFLSA-N 437.975 4.828 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1507539863 XVCYAOTXNJBNOK-SFHVURJKSA-N 439.604 4.914 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CCSC 1507747275 BWBIZVVPZFULKC-AWEZNQCLSA-N 427.014 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H](C)CCSC 1507798116 URFNYECCQSVGDY-LMNJBCLMSA-N 430.618 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(OC(C)C)c1 1507800129 MCIRKYJRDCHIOF-NFBKMPQASA-N 435.572 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1507812763 PQPNPHNQPRCDSK-JQVVWYNYSA-N 428.552 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1507912258 PPTRXZXVTMCGDZ-UHFFFAOYSA-N 429.996 4.505 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(CSC)cc2)C1 1508132453 UXVDROAZAWPJEO-JOCHJYFZSA-N 426.630 4.703 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC1CCCC1 1510265790 GLMQJOFRZTWCNG-UTKZUKDTSA-N 443.979 4.771 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCO[C@H]1CCCC[C@H]1C 1512137948 CQGIDWFNHLHOBL-UGTOYMOASA-N 437.588 4.559 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)cc1 1528317151 ZSJPOCLKAJABJS-UHFFFAOYSA-N 428.536 4.864 30 10 IJEE C#CCN(C(=O)CCSc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1529627864 ZXVLNSPLPFLBTM-IBGZPJMESA-N 430.367 4.917 30 10 IJEE CCCc1c(C(=O)OCc2cc(Br)cc(C#N)c2)cnn1-c1ccc(F)cc1 1530822201 GZCQUELTRKWVDJ-UHFFFAOYSA-N 442.288 4.955 30 10 IJEE C=CCCC1(CNC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CCCC1 1531944846 YNFRNOKIPQBVFT-MRXNPFEDSA-N 442.419 4.502 30 10 IJEE CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1532341169 CBGAGOLCEBKXSY-SFHVURJKSA-N 441.915 4.745 30 10 IJEE CN(C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccc(C#N)cc1F 1536653403 IEGWEFHCHCKNTL-UHFFFAOYSA-N 437.515 4.927 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@H]1CC 1538971097 FZNRJQLUPVJMQW-ACIOBRDBSA-N 437.632 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1539034306 BRSJUKXCHGXEOF-ORQYLMBXSA-N 445.032 4.623 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1(c2cc(Br)ccc2OC)CC1)c1ccccc1 1539186934 SGHWLNYMIRVBGI-AREMUKBSSA-N 434.355 4.729 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCC[C@H]1CC 1539350428 LJDJZUICDKWRLV-TZIWHRDSSA-N 439.673 4.855 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C)[C@H](OC)C1 1539587118 WBYRCPKJFMKTSA-BDJLRTHQSA-N 443.748 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1SCCc2ccccc21 1539676130 JJSZUJGLAMPXBC-QFIPXVFZSA-N 436.629 4.573 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1539786765 ZZKHXAYOTDFJRY-BLLLJJGKSA-N 433.170 4.766 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(COC)CC1 1539816599 BNEHYRZPIVIGHB-UHFFFAOYSA-N 432.996 4.770 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCC)C1 1539820327 FECPFSJDZVXJMB-OAHLLOKOSA-N 445.778 4.922 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1539836275 ONWZNWXJVYAANG-QZTJIDSGSA-N 430.980 4.969 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(N(C)C)CCSC2)CC1 1539875302 VZBMAJRJGCLYEP-RCZVLFRGSA-N 439.673 4.660 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1540019586 KEHPESRSVMFRSI-MRXNPFEDSA-N 433.394 4.880 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCSC(C)(C)C2)cc1 1540878979 NZMWCMVEJLLGNI-UHFFFAOYSA-N 440.638 4.875 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1540913866 VXTXVVRUODPUMI-UHFFFAOYSA-N 448.640 4.511 30 10 IJEE C=CC1(CC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1544973674 HLSFOTFPLCCVOA-QHCPKHFHSA-N 434.580 4.942 30 10 IJEE CC#CCN(C)C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1556823649 FSXMURNMPUKORN-UHFFFAOYSA-N 431.483 4.677 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CC[C@@H](Cc4ccc(F)cc4)C3)c2C#N)C1 1559546665 BQDWMZBQHHPQFW-WMZOPIPTSA-N 425.573 4.777 30 10 IJEE Cc1ccc(-c2c(C)sc3nc(CN(C)C[C@H](O)c4cccc(C#N)c4)nc(O)c23)cc1 1559976112 KDVBNXAEIFYWAX-FQEVSTJZSA-N 444.560 4.718 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 1566618137 KAWVIJZZSYKZHL-ZDUSSCGKSA-N 432.830 4.556 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)CC#CC)c1)c1ccc(C(F)(F)F)cc1 1566675991 QTAFQMFTSVMFOY-OAQYLSRUSA-N 449.494 4.940 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(N[C@@H](C)c2cc(Cl)ccc2Cl)c(C)c1)C(=O)OC 1570221888 ZTRXCBIUGHSBRW-VBKZILBWSA-N 433.335 4.770 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 1584737028 WEQSXRVQLIZQHS-UHFFFAOYSA-N 440.496 4.834 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C(F)(F)F)cc1 1587315284 JPZSGBURAHUQQY-IAGOWNOFSA-N 443.874 4.984 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)c1c(C)noc1C 1588194304 SDRMAOPYHJVMNV-QGZVFWFLSA-N 427.508 4.563 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1594600231 MXJZDHVFSRCMQL-QFIPXVFZSA-N 432.616 4.741 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccoc1C 1594788250 IUQYFHFQFRCOGA-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1595127403 OBBCGYCSKXFCSS-UQBPGWFLSA-N 425.596 4.998 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CC1CCC(F)(F)CC1 1595250803 JKNYIEFCUBTCNB-UHFFFAOYSA-N 427.499 4.994 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(C)o2)nnc1-c1ccc(Cl)cc1Cl 1595528096 HRBMLHFWWCHVIH-UHFFFAOYSA-N 437.352 4.748 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1)OCC 1616262796 LCOLDJWITHATJV-ICSRJNTNSA-N 441.353 4.586 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)[C@@H](C)CSc2ccccc2)nnc1-c1ccco1 1616685785 BNZZTZITZOMYDN-KRWDZBQOSA-N 442.610 4.846 30 10 IJEE CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 1622897417 DBIQDZNJAYEFMJ-PZJWPPBQSA-N 438.959 4.906 30 10 IJEE C=C(C)CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 1624588415 VAJFYAFNNKTDPT-UHFFFAOYSA-N 446.878 4.856 30 10 IJEE C=CCN(C(=O)Cc1nc(-c2ccccc2)cs1)[C@H](Cc1ccccc1)C(=O)OCC 1625224773 QTJZFJSJYSBZIJ-JOCHJYFZSA-N 434.561 4.542 30 10 IJEE CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1626676857 IBGGCWTWMAUMDF-UXHICEINSA-N 432.351 4.560 30 10 IJEE C#Cc1cccc(NC(=O)c2ccc(Br)cc2NC(=O)c2ccc(OC)cc2)c1 1628196471 KKYLVHTZIVAEOH-UHFFFAOYSA-N 449.304 4.944 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 1631011911 XSBLRTPFRYSOOG-UHFFFAOYSA-N 427.508 4.800 30 10 IJEE C=CC1(CC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CCCCC1 1631697279 CUXSKJVEVMJNNA-NJYVYQBISA-N 434.621 4.966 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccc(C)cn4)cc3)n[nH]2)c1C 1633330114 FZDUVLRULLMEIA-UHFFFAOYSA-N 428.496 4.824 30 10 IJEE C#CCC[C@@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 1635011881 NABZXUSGEKCPHR-NZCCEVMUSA-N 430.935 4.879 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1 1640488137 XQRNCOUBMPJRLU-JOCHJYFZSA-N 432.927 4.745 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1641503409 RXWOTQNXCPLMJW-FGZHOGPDSA-N 440.584 4.588 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)s1 1641965441 SRCJFBVQWJPQNG-UHFFFAOYSA-N 425.354 4.953 30 10 IJEE CCO[C@H]1C[C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C12CCCCC2 1642983405 CIJYQDATDUMMLP-RPWUZVMVSA-N 448.611 4.681 30 10 IJEE C=CCn1c(SCc2cc(OC)ncc2Br)nnc1-c1ccccc1C 1643753437 PKHRGFYWPRAXDT-UHFFFAOYSA-N 431.359 4.898 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1643854709 QWQDGXYWDAMELI-FNZWTVRRSA-N 444.575 4.764 30 10 IJEE C#CCN(CC(=O)NCc1ccccc1COc1ccccc1)[C@@H]1CCCc2ccccc21 1648423561 AAFQHRVYAAMJED-MUUNZHRXSA-N 438.571 4.895 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)cc(OC)c1OC 1650937523 HXGJCRCTCMRQTC-UHFFFAOYSA-N 437.584 4.523 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)c2ccc(OC)cc2)nc2cc(Cl)ccc2c1=O 1651553327 YKGGOBOGYUSYRQ-IBGZPJMESA-N 428.941 4.998 30 10 IJEE C=CCn1c(SCc2cc(C)c(C(=O)OC)o2)nc2sc3c(c2c1=O)CCCC3 1651638188 WJKJDEWSEJDZOO-UHFFFAOYSA-N 430.551 4.503 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O 1654431487 UNPOQSODPMFDCR-GOTSBHOMSA-N 440.588 4.699 30 10 IJEE COc1ccc(-c2ccncc2)cc1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1657957663 IFRUZTABCGPOLK-XMMPIXPASA-N 432.955 4.793 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1659596273 BCAJMPGAMIQVLG-MRXNPFEDSA-N 432.320 4.864 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1)c1ccc(F)c(F)c1 1661498516 HCHMDIFDXHYYMX-GOSISDBHSA-N 444.297 4.526 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc(Br)cnc1-n1cccn1)c1ccc(F)c(F)c1 1668672016 QHRRHFALXQPFHH-KRWDZBQOSA-N 448.271 4.747 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 1668963512 PKSZSNYUFHONHZ-UWJYYQICSA-N 439.353 4.648 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)[C@@H]1CCCO1 1669350765 RUSKXZVYBGTRIM-HKUYNNGSSA-N 433.277 4.683 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCC)C2CCN(Cc3ccccc3)CC2)cc1 1672134320 OOPJHVVQQAWFKO-UHFFFAOYSA-N 426.626 4.871 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl)c1ccccc1 1672950269 OIBLTSTZMLWFQS-SFHVURJKSA-N 429.904 4.914 30 10 IJEE C=CCc1cc(CNC(=O)NCC2(c3cccc(OC)c3)CCCC2)cc(OC)c1OC 1677637186 ITRYLBHWDHGCHH-UHFFFAOYSA-N 438.568 4.752 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 1682155623 BLIYHSNFZMHQJV-GMVOTWDCSA-N 432.362 4.588 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1685817314 LGHIFPPYSSGNEJ-MAUKXSAKSA-N 425.495 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N1CCC[C@H](C)C1 1689839442 GMUHRIGRMOBNMN-YESZJQIVSA-N 434.415 4.830 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCC(F)F 1690241955 ZGHLXEBVTJHPOA-LAUBAEHRSA-N 427.499 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)CC 1690253726 SJKYXLKHXJOJTM-ZHRMCQFGSA-N 426.605 4.937 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](CC)C1 1690428105 DSRCBEWNDVGIBX-INIZCTEOSA-N 438.601 4.528 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1690461234 WPXUMJRWWFIZTN-HXUWFJFHSA-N 436.629 4.950 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1Cc2cccc(Br)c2C1 1690507697 UJJWWXZDHSVIPF-UHFFFAOYSA-N 431.378 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNC(=O)c1ccc(C)cc1 1690518458 KMDYPTBXEAPZHN-UHFFFAOYSA-N 449.624 4.636 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1690563347 OJLQNPMXZTUUTR-FCHUYYIVSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@H]1C 1690580073 YYBPEIINUSPTAD-VGSWGCGISA-N 428.627 4.736 30 10 IJEE C=CCN(CCOC)c1nnc([C@H](C)CC)n1Cc1c(C)sc(C)c1Br 1690611251 GEOWMYZPYUEKFZ-CYBMUJFWSA-N 441.439 4.920 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1690750208 CVVOAKDQUKXUPF-KRWDZBQOSA-N 436.622 4.637 30 10 IJEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)s1 1694553844 ACAMAWURDMDRPP-QGZVFWFLSA-N 434.613 4.951 30 10 IJEE COCC(C)(C)CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1 1697717304 CMFLVGOJCJQGFB-SFHVURJKSA-N 443.567 4.750 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCN1CC 1705603952 BCXYFLQATGTZDB-CTNGQTDRSA-N 444.023 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705701906 JOXFNOKWHQKVHG-UTKZUKDTSA-N 447.027 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1705707415 KWBIYXMDDAKYGA-DBVUQKKJSA-N 434.943 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1nccs1 1705712024 WWEWYNPCENTYER-CQSZACIVSA-N 449.422 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705790951 KCNBHZFTRQFELG-MJGOQNOKSA-N 431.625 4.887 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@@](=O)C(C)(C)C 1705835331 HJBMJTYRZSKXNZ-MUUNZHRXSA-N 437.034 4.983 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C1CC1 1705861914 SOVPLHMHJAYTJB-UHFFFAOYSA-N 437.588 4.920 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CCCN(C)C(=O)OC(C)(C)C 1705864174 SQXVUJICBDXFMB-UHFFFAOYSA-N 433.622 4.913 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1707959020 DOPWRARLJOKLBN-WOJBJXKFSA-N 445.615 4.538 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1712792683 BSLDNHDMVGSXLD-RCCFBDPRSA-N 427.618 4.598 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(OC(C)C)CC1 1722327060 BNLVKAWFIJUDMS-UHFFFAOYSA-N 448.567 4.924 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(Cl)cc1F 1722347192 WUNKHWTWWYKGPA-UHFFFAOYSA-N 439.741 4.679 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCSC(C)C 1722405339 MTEJUUKOMUVSDE-UHFFFAOYSA-N 441.826 4.962 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(F)cc1F 1722495169 QFJCDSRPUNRXRQ-DYESRHJHSA-N 428.483 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccsc1Br 1722514071 UMFZFPHLXUZSSC-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=C(Cl)Cn1c(N2CCC(N(CC)CC)CC2)nnc1C1(c2ccccc2)CCC1 1722556669 DPFYXTAQAQSNNP-UHFFFAOYSA-N 428.024 4.811 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN(CC)CCC)CC1 1722565102 VQRUQRCBZAZWIC-IBGZPJMESA-N 432.012 4.960 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1722575930 CDMURDDOWANXPK-GOSISDBHSA-N 447.583 4.826 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCCN2CC)CC1 1722581367 CJTSDSLBELGJKC-HSZRJFAPSA-N 437.632 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722588131 LAJYPBFASWNDBA-IBGZPJMESA-N 439.007 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1722589643 MFKRTQILLFPRGC-JOCHJYFZSA-N 449.599 4.584 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC=CCO1 1722594693 BXKDKZIOOYKDPX-QGZVFWFLSA-N 434.382 4.563 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCO1 1722596776 AFWMJMQRMFWHLC-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccco1 1722624127 UIUMVPFGRWZLRL-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1722675455 MTSWILVWSJGHHY-SFHVURJKSA-N 436.556 4.610 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCC[C@H]21 1722733876 PTWFTVTZLBZEBZ-FUHWJXTLSA-N 433.419 4.924 30 10 IJEE CC(C)OCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1723726794 BRMXVCVULIKPNS-UHFFFAOYSA-N 434.009 4.779 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1729100752 GZRZOULVKGSQSQ-TZIWHRDSSA-N 441.645 4.847 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1740571045 WHQNWVJWIJBLKX-HXUWFJFHSA-N 439.922 4.514 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1740578461 ARIBBJWTLDBINY-UHFFFAOYSA-N 428.552 4.584 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1740630585 KCZRRZITLJIULZ-MRXNPFEDSA-N 442.947 4.588 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(Cl)s1 1740651803 MDHJBFWPCDOAKZ-UHFFFAOYSA-N 431.952 4.719 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@@H](CC)Oc1ccccc1F 1740730721 GYCBFZHEDHMVQE-MEKIYTOJSA-N 426.536 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1CSC 1740761642 XSVMTYSHASCBEX-VCOUNFBDSA-N 447.048 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740769688 QZEAEDJEDQARSL-BGYRXZFFSA-N 437.588 4.593 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1740771168 VBLGOCBYBIVNLY-OYRHEFFESA-N 425.621 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)C1CCCCC1 1740771805 MOYKWWHLZSXDNU-SANMLTNESA-N 448.615 4.865 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1740794053 ZSZGRGOYHHZCEM-UHFFFAOYSA-N 439.648 4.560 30 10 IJEE C=C(Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C)c1ccccc1 1740798173 BNGKSIITCIKSCT-IFMALSPDSA-N 446.599 4.508 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C)CC1 1740848927 UPTORKNOTHRVOI-FQEVSTJZSA-N 437.636 4.681 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1740912798 SJLZBZVMKSWJFO-UHFFFAOYSA-N 447.530 4.936 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCN(C)c1ccccc1 1740921800 JDIGKHXIIPGVGG-UHFFFAOYSA-N 430.581 4.731 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccccc1Cl)N(C)C 1741804362 BBYYBJFQOUAMKA-UTKZUKDTSA-N 429.012 4.705 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 1748731112 UQKZARNAUVHIDV-FQEVSTJZSA-N 429.609 4.923 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)c1ccc(C)cc1 1749213468 KTMFACGVNFFSTG-UHFFFAOYSA-N 444.377 4.715 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1749390570 GLZABLZXKPWQII-UHFFFAOYSA-N 430.666 4.834 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749391099 LBEYURMEOLNXNB-BKMJKUGQSA-N 438.616 4.951 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OCC2CC2)C1 1749409765 ZDMMIGRSSLMYKT-BHDDXSALSA-N 430.637 4.948 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(OC)cc(OC)c1 1749450571 LYYDXRDACHHCEL-FGZHOGPDSA-N 442.604 4.817 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC[S@@](=O)C(C)(C)C 1749538217 FMISIFQRBHCFQZ-SSEXGKCCSA-N 426.586 4.586 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCC1 1749560993 YAWHQNXRWAXXHO-SFHVURJKSA-N 430.980 4.945 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=C)Br 1760166380 BEORXDNVZOJIHS-UHFFFAOYSA-N 431.334 4.791 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCO[C@H]1CCCC[C@H]1C 1760240773 BPHKWMKMNRFOSY-XXBNENTESA-N 435.547 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO[C@@H]1C(C)C 1760296305 PWGQYHBTWGMAPV-DVKBMCPXSA-N 442.554 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760326254 VJUOPHRGUDJNKL-PWHSHALESA-N 442.579 4.850 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1760409886 LQAUOMHJQFHNTG-KDURUIRLSA-N 446.039 4.746 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760422658 PNJQNZPJHUQPBK-OAQYLSRUSA-N 440.979 4.749 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1760426120 GSOXLJWOFNHPIU-HXUWFJFHSA-N 443.498 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@H]1C 1760485917 VQVLRZKKUOWMBH-QUCCMNQESA-N 438.597 4.880 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1760507873 MINMEKSMFZGQSP-OALUTQOASA-N 444.023 4.884 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCC(C)(C)C)C1 1760537801 QKISXQTWIGCNPZ-FQEVSTJZSA-N 434.588 4.943 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCCC[C@H]2C)C1 1760540236 DNVBMJJXQFGYRI-NHCUHLMSSA-N 441.595 4.520 30 10 IJEE C[C@H](NC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1761461440 HPFWZMUHWMBILL-DFBJGRDBSA-N 438.595 4.582 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)C1 1761542391 HBJLJSNUOFWBHS-QVKFZJNVSA-N 434.371 4.809 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)C1 1768377889 AGMROMWLUXHBNP-YADHBBJMSA-N 439.629 4.888 30 10 IJEE CS[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1771396898 GUAMDXKRZSSHJW-LDJQZATESA-N 449.571 4.777 30 10 IJEE Cc1ccccc1C(=O)Nc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1860142202 GUYSMAIXEHOIJS-UHFFFAOYSA-N 431.517 4.687 30 10 IJEE N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1860858835 YSKWNBWUKCEGQP-UHFFFAOYSA-N 434.839 4.553 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCc1ccc(Br)cc1 1861108559 AQMGSDLIZQAIMX-LJQANCHMSA-N 425.411 4.753 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862397485 MOBVESFGCIPFGY-NRFANRHFSA-N 438.480 4.630 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1C 1862407752 VPPCZGBXICOFDE-JOCHJYFZSA-N 449.503 4.613 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862414674 GAAZGWGQOOXNTC-JOCHJYFZSA-N 445.425 4.620 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862487424 AIRHXFHVSPMXJL-IBGZPJMESA-N 428.872 4.791 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862583980 NSVYBVCJMODVHK-BMLIUANNSA-N 440.710 4.606 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 1862674470 XRPXXZIVGZKRON-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1c(F)cccc1Cl)c1ccc2ccccc2c1 1862720394 VZHNEHPPGLTVDC-NRFANRHFSA-N 439.870 4.593 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 1862749324 VZVHRXCKTLFFIO-MMACOIQUSA-N 438.455 4.891 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863269678 OKIDEZKWQRZDAJ-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1863314371 NXSOWSIRHMVUTD-HNNXBMFYSA-N 429.426 4.790 30 10 IJEE Cc1cccc2c(C(=O)Nc3c(C#N)cnn3-c3ccccc3F)c3c(nc12)CCCC3 1866275805 SPNJRTMNWLYDQT-UHFFFAOYSA-N 425.467 4.871 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C 1868650479 NLWNLIXCIYHGBX-HXUWFJFHSA-N 443.975 4.722 30 10 IJEE CCCCCCCCCCn1cc(C(=O)NCCOc2ccc(OC)cc2)c(O)cc1=O 1870119141 DBEMYXUBHJWOTD-UHFFFAOYSA-N 444.572 4.512 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870142282 JZCSIWKSCTVMHT-QHHAFSJGSA-N 436.661 4.890 30 10 IJEE C#CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871006430 FOTZELYWBRDCDF-XMMPIXPASA-N 438.568 4.611 30 10 IJEE Cc1cccc(/C=C2\Oc3c(CN(CCO)Cc4ccccc4)c(O)cc(C)c3C2=O)c1 1871393637 AUAGBGCEXYJOQI-IWIPYMOSSA-N 429.516 4.620 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872149490 DHRBSUIIQATAQP-WMZHIEFXSA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCCCC)cc1)C(C)C)S(=O)(=O)C1CC1 1872161761 SFZPWVWOSFUIMA-QFIPXVFZSA-N 436.618 4.589 30 10 IJEE CCc1sc([C@@H](C#N)C(=O)CSc2ccccn2)nc1-c1ccc(OC)c(OC)c1 1872728112 OFRSUFHTKWVCDJ-HNNXBMFYSA-N 439.562 4.753 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OC)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276545 MYMKNWWYTMYVBD-UHFFFAOYSA-N 438.483 4.518 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(OC)cc1 1874207125 BCQOANXFVGRKKE-FYJGNVAPSA-N 431.359 4.634 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccco1 1874296222 QHALLGGRNFOGQL-OEAKJJBVSA-N 433.493 4.853 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874343039 VTFMVGAPNROWRI-OEAKJJBVSA-N 428.945 4.678 30 10 IJEE OCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874369580 HOSMJSHSPMCEDD-FOKLQQMPSA-N 426.851 4.584 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1Cl 1874485297 NPRQBPBXRANIRA-OEAKJJBVSA-N 436.025 4.852 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccccc1F 1874507207 RAKANNYFQSWWHC-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1/N=C/c1ccccc1OC(C)C 1874532014 NBXNWJNORONCBB-ZMOGYAJESA-N 437.569 4.604 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)cc1 1874602250 BTIZQEOCFHFZPK-XYOKQWHBSA-N 446.459 4.825 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCCCO)c(OCC)c2)cc1 1874615166 KSLWYIXRAAKBKH-IZZDOVSWSA-N 449.341 4.904 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@H](C)C1)n2CCOC 1875226345 ZXLZAQYNJJZJQW-PMACEKPBSA-N 443.636 4.968 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 1886450411 WWWSWDJIAQYOOZ-OALUTQOASA-N 429.561 4.961 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1890917605 GCAHVZXJWYTYKA-UHFFFAOYSA-N 440.387 4.516 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1 1894965517 BFDSNDACKYTYBB-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE CN(CCN(Cc1ccccc1)Cc1sc(Cl)cc1C#CCO)Cc1ccccc1 1903701209 APFGKBIRQNTRGL-UHFFFAOYSA-N 439.024 4.880 30 10 IJEE CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ocnc1C(=O)O 1952313965 ZXONMXVSWQWEMH-HXUWFJFHSA-N 438.505 4.661 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(Br)c1F 2047924679 FQWARMCHHZDVIU-ZDUSSCGKSA-N 432.717 4.660 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1F 2079140931 UZZKIVZUCYINOS-INIZCTEOSA-N 435.284 4.858 30 10 IJEE CC[C@@H](c1ccc(OC)cc1)n1nc(C2CCC2)c(C=NO)c1I 2079854611 KRKNGWGAXCIWNN-INIZCTEOSA-N 439.297 4.571 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3cc(Br)cnc3C#N)CCCCC[C@H]12 2167613443 NBMSKPPHGMDWJW-FXAWDEMLSA-N 435.366 4.840 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 2180925746 MYPYZIUDSJTPLM-KRWDZBQOSA-N 435.362 4.839 30 10 IJEE CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1C#N 2181045545 HJEQVZSQAGDYPI-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE CC1(C)CC([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181115958 YMLSZWVWNNZPAR-INIZCTEOSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@@H](O)CC#C[Si](C)(C)C 2229116778 RDROOWNGGCJUHT-MSOLQXFVSA-N 440.454 4.517 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2ccccc2Br)CC12CCCC2 2235722664 KFRGOZQIXCLBAO-MJGOQNOKSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)cc1 2256027047 KKFCMOUAXWCPSG-UHFFFAOYSA-N 426.322 4.707 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)cc21 2267113633 WUWJETRBPRQZQA-QAQDUYKDSA-N 442.365 4.795 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274206740 JEWZCGFVEHHQIS-MRXNPFEDSA-N 426.330 4.542 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1csc(NC(=O)OC(C)(C)C)n1 2278813076 CLARBTCAMMPZGU-HNNXBMFYSA-N 436.375 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccccc2Br)C[C@H]2CCCC[C@@H]21 2288287652 RJJNSOATISHQGJ-ZRAXVTTISA-N 433.390 4.602 30 10 IJEE O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296116249 WOPTWPFWTIOJOD-DNVCBOLYSA-N 432.303 4.594 30 10 IJEE CC[C@@](NC(=O)OC(C)(C)C)([C@H](C#Cc1ccc(Br)cc1)NC)C(F)(F)F 2296299992 BMWCTGRWEXXSAW-MAUKXSAKSA-N 449.311 4.624 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2296300076 CNTACIZCZPJIIW-YSIASYRMSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCCC[C@@H]1NC(=O)OC(C)(C)C 2296300278 GCQXXWIXVDUGTO-XQBPLPMBSA-N 435.406 4.862 30 10 IJEE CCCOc1cccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 2296580470 VEMGJBFFOOHGIA-NRFANRHFSA-N 436.439 4.537 30 10 IJEE C[C@@H](Oc1ccccc1C=C1SC(=Nc2ccc(Cl)cc2Cl)NC1=O)C(=O)O 2314932943 QJJGPGRCLQWFNP-SNVBAGLBSA-N 437.304 4.737 30 10 IJEE CCC[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317355185 AXPIBTMTNHUWLH-KAUXGEHWSA-N 431.386 4.832 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2COc2ccc(C)cc2C)ccc1OC(C)C 2322052018 GZFPHLJPNNKFAK-UHFFFAOYSA-N 440.569 4.831 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(Cc1ccc3c(c1)OCO3)CO2 2322102157 IRYNUPXXKHHUCI-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE O=C(C=Cc1ccc(OCCCO)c(Br)c1)c1cccc(Br)c1 2323652924 RLTFCJPRENSMMU-UHFFFAOYSA-N 440.131 4.869 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1F 2323808682 LMRDXZLBONSNOQ-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOc1cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc([N+](=O)[O-])c1OC 2323866146 VOPLNYWLQYPRLV-UHFFFAOYSA-N 428.470 4.580 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)cc1 2325633044 DZEARSDWIKWILN-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2326315616 MNSMWEZIARHNEV-UHFFFAOYSA-N 439.541 4.755 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)cc1Cl 2326667270 HOHKDDNITNDUSS-UHFFFAOYSA-N 425.945 4.939 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cn(C)c2ccccc12 2326796562 FQJRBGVROQQVCC-UHFFFAOYSA-N 447.564 4.683 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccccc1F 2326876400 WVHLDCIFHOPGSX-UHFFFAOYSA-N 430.505 4.702 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCC)c(OC)c1 2329920732 HKNVWMIZMVYTCQ-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2ccco2)cc1 2329966178 KIWOXCKCZQVREN-UHFFFAOYSA-N 433.493 4.853 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330012160 OVVZSTCLWBZYAK-UHFFFAOYSA-N 436.581 4.622 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(Cl)cc1 2330529874 OGUJNGZCDHOJKT-UHFFFAOYSA-N 433.990 4.503 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 2331279536 KMOWMRVLERUYFJ-UHFFFAOYSA-N 432.432 4.812 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(N(CC)CC)cc1 2331348470 CDIRYNFTDQGAMY-UHFFFAOYSA-N 445.633 4.640 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339586875 MHGASQMNVOPSAI-QFQMRYFISA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2339592547 RHRUZJUZIFITGS-OTWHNJEPSA-N 442.365 4.503 30 10 IJEE C=C1CC([C@H](Cc2ccc(I)c(Br)c2)NCCC)C1 2349821295 AOOZGLJWKPVGKS-INIZCTEOSA-N 434.159 4.931 30 10 IJEE CO[C@@H](CSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)C(C)C 2349827599 CQSMXROXOXCMSP-KRWDZBQOSA-N 429.229 4.653 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 2360197668 RTDDHQPEIFQWTG-VDGAXYAQSA-N 435.406 4.957 30 10 IJEE C=C1CCC(C[C@@H](NC)[C@@H](O)c2sc(Cl)cc2I)CC1 2366654355 LQOCGNDEJMVAGP-TZMCWYRMSA-N 425.763 4.764 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1 8905119 ULAMTERVIPVCED-UHFFFAOYSA-N 449.370 4.928 30 10 IJEE CCc1cccc(N/C(=N/C(=O)c2ccc(OC)cc2)NCCc2c(C)nn(CC)c2C)c1 32973303 DFAPUVMDZOHZEA-UHFFFAOYSA-N 447.583 4.531 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2cc(OC)ccc2OC)C1=O 36258193 VZWJFWLKZUTRGD-WOJGMQOQSA-N 445.924 4.901 30 10 IJEE Cc1cccc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)c1C 38623079 RLQJBHHAMRXRNZ-OALUTQOASA-N 430.504 4.610 30 10 IJEE Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3cccc(C#N)c3)n2)cc1 64757977 ZJYUIKCSHYCEAE-UHFFFAOYSA-N 427.489 4.710 30 10 IJEE C=CCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)c1 66064662 BNPKXVWHAYZKFN-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE O=C1/C(=N\NC(=S)Nc2ccccc2F)c2ccccc2N1Cc1ccc(Cl)cc1 100554959 KTSOJEIKIFCTDA-QOMWVZHYSA-N 438.915 4.717 30 10 IJEE Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 110360529 TWZUAHRALUWIPO-FDDCHVKYSA-N 425.960 4.566 30 10 IJEE O=S(=O)(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 169902731 IWBKPODFQGZHHR-YDZHTSKRSA-N 435.332 4.885 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3F)c(OC)c2)C(C(C)=O)=C1C 169930391 IXQIVODVDWPHEH-QHCPKHFHSA-N 442.556 4.918 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccc(C)c2)c1 169965955 KJNHNUSNUACVMJ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)cc1 169987925 OHOXRESETMOVRQ-IBGZPJMESA-N 427.428 4.818 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170076000 IDODJBHLKINAFJ-WZONZLPQSA-N 430.504 4.542 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103189 DMCGYNGHVGAHND-NRFANRHFSA-N 427.460 4.864 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(OC)cc1 170116196 YBGWOCCVDDUZFU-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(O)cc2)cc1 170133228 XGVMCCTUWZUWBJ-VOIUYBSRSA-N 441.483 4.807 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(O)cc1 170136912 YALIWEYPZFVGIR-IBGZPJMESA-N 429.900 4.741 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(OC(C)C)c1 170153099 VUZXFHHJBPAAHP-OAQYLSRUSA-N 438.480 4.760 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)c1 170157375 RBSHFJWOZSCEDR-IBGZPJMESA-N 441.892 4.899 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)cc1C(C)C 170161981 JRDOIRMHKWOTBU-IERDGZPVSA-N 441.549 4.637 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccs1 170162659 PWAXCUWZFASULU-IBGZPJMESA-N 440.908 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1)c1ccc(Br)cc1 170264285 UMXHDOVHABCCEW-IBGZPJMESA-N 442.309 4.676 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2sccc2C)cc1 170312967 BXGWJVUVLLRKND-FQEVSTJZSA-N 443.565 4.850 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1ccncc1 170340085 VXMCBWFDDLIIOX-LJQANCHMSA-N 441.270 4.877 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC(C)=O)c2)cc1 170408080 CGJUAZCCNWUMKQ-QFIPXVFZSA-N 431.444 4.550 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)ccc1OC 170439384 BJUWTMZNRQPZMC-HXUWFJFHSA-N 445.462 4.887 30 10 IJEE N#Cc1c(NC(=O)[C@@H]2CCCC[C@H]2CN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 170573605 BDFLXAQXPWYXIW-JKSUJKDBSA-N 447.560 4.540 30 10 IJEE C=CC[C@H]1CC(C)=C[C@@H](CC=C)N1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 209179205 QELPOVOUSULFHC-RTWAWAEBSA-N 445.523 4.516 30 10 IJEE C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 253489169 DEJAHKJPCKIYLY-GOSISDBHSA-N 432.520 4.924 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)Nc1ccc(Br)cn1 475557430 BHSZPATUDQBRFA-UHFFFAOYSA-N 445.361 4.798 30 10 IJEE COc1cccc([C@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccccc2C#N)c1 526606563 GDOVZXXZMKVLCI-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE CC(=O)c1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2cccc(C#N)c2)C1=O 526660510 HULZCGUTYJRKPC-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OC)c1OC 526803312 UVBZYTUSLYXAJS-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(Cl)c2)cc1[N+](=O)[O-] 526811252 GKVIOQAJMDHGNT-UUYOSTAYSA-N 445.932 4.975 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(Oc2cnccn2)CC1 549270846 RIIFLEWXGIKNSX-UHFFFAOYSA-N 426.524 4.512 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2cc(C)cn2)CC1 559006101 DQFMUCNEOHGNED-UHFFFAOYSA-N 428.943 4.735 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccccc3OC)C2)c1 586000680 ALAANSNLOPOKTC-NRFANRHFSA-N 435.568 4.567 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 586214785 LTMFTYSUWBSRDN-UHFFFAOYSA-N 449.576 4.645 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1F 586217013 BJMLLLQIYWXGSY-UHFFFAOYSA-N 442.487 4.857 30 10 IJEE N#Cc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c(F)c1 609228489 IAASHGRKXLMXAC-UHFFFAOYSA-N 430.414 4.847 30 10 IJEE C=CCCCN(C)C(=O)c1cccc(NC(=O)c2ccccc2I)c1 609908612 JRHNESFJAQOVQO-UHFFFAOYSA-N 448.304 4.582 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12)C1CCCC1 757086946 YOVQRBFQHDPMGR-QHCPKHFHSA-N 445.563 4.904 30 10 IJEE CCO[C@@H]1C[C@]2(NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)C1(C)C 771821272 YVIOEBDMFOYXSN-DRMXPCRNSA-N 437.927 4.625 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 780076083 WCXNJSUWPGLXQF-DLBZAZTESA-N 431.467 4.599 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1c(C)nn(C)c1C 802550627 FDFRHDNLBSNMAS-UHFFFAOYSA-N 446.555 4.680 30 10 IJEE CC(=O)N(c1nc(C=NNc2ccc(F)c(F)c2F)cs1)c1ccc(F)cc1F 814944895 BLDYAQXSYMUERE-UHFFFAOYSA-N 426.370 4.969 30 10 IJEE COc1ccccc1CNN=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 1083998333 MZCMZWPBWDAZME-UHFFFAOYSA-N 430.258 4.750 30 10 IJEE CCC(C#N)(CC)C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 1128663534 CRXVAFLKZAQWQF-UHFFFAOYSA-N 431.334 4.535 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 1128703289 RGXKXLAANOXLFV-UHFFFAOYSA-N 435.574 4.791 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O 1128907346 IWPBBAFMHLDGDP-UHFFFAOYSA-N 436.556 4.635 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1 1129015986 MVZQCNSDHWEOPD-UHFFFAOYSA-N 431.517 4.819 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CC1 1133096891 HSGKYMFQOKGSDU-JKIUYZKVSA-N 445.563 4.976 30 10 IJEE C=C[C@H](CC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12)c1ccccc1 1133673928 PKLCOEBNDKUJIN-CQSZACIVSA-N 442.313 4.572 30 10 IJEE C#CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(C)C 1134183171 JNCRGDDVWGOPBM-UHFFFAOYSA-N 436.353 4.715 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Br)c1COC 1136539340 XPWSUMUSOPTXQK-HNNXBMFYSA-N 447.757 4.570 30 10 IJEE C=CC[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1136904741 YWLPZGBOYLVAOR-XZOQPEGZSA-N 437.584 4.795 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1 1140312414 BNSWVKLUAXVSPO-UHFFFAOYSA-N 434.459 4.551 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C/c1ccc(Br)cc1 1141359414 RMPFXFUDHGPIAW-BLGFXRMMSA-N 437.378 4.828 30 10 IJEE CC(C)c1nccn1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1141873602 CGTKCQYWWIQWKI-UHFFFAOYSA-N 433.459 4.583 30 10 IJEE C#C[C@@H](Nc1ncnc2scc(-c3ccc(Br)cc3)c12)C1CCOCC1 1163759303 ICZARLHSXBGYRJ-QGZVFWFLSA-N 428.355 4.961 30 10 IJEE Cc1ccc(OC2CCN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CC2)cc1 1190953277 CFDYHFICWHPTEP-UHFFFAOYSA-N 425.960 4.747 30 10 IJEE COc1ccc([C@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)N2CCCC2)cc1 1218287691 BXHSAFJWFIUUFD-QFIPXVFZSA-N 436.556 4.703 30 10 IJEE C#CCN(C(=O)N[C@](C)(C1CC1)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1220262506 WJMDNCVUXDVDMN-CRAIPNDOSA-N 445.279 4.649 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CCCc2ccccc21 1220478438 ZDFAETAXFZDCQO-CLJLJLNGSA-N 431.580 4.555 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1)c1ccccc1 1254754350 IPFPRVANKMJXEQ-QUCCMNQESA-N 425.602 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1286300271 QJCNROCOUBFHGC-WIBUTAKZSA-N 425.989 4.864 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(F)cccc1SC 1286451789 AZCWKZDBDBKQBP-OXQOHEQNSA-N 430.593 4.566 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC(C)(C)[C@@H]1C 1286498360 GHOMZGYUWRYJQZ-KRWDZBQOSA-N 444.670 4.646 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC=C(Br)C1 1286533012 PXVQUISSTGGLMS-UHFFFAOYSA-N 438.167 4.651 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCCSC 1286535442 IOWVJUXPYKETGN-AWEZNQCLSA-N 443.386 4.655 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1ccccc1Cl 1286557828 KQYDEQGLYPCTLR-XMSQKQJNSA-N 432.996 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1286560818 JCQWVLCWWFYNHI-SRYPRDQNSA-N 442.579 4.707 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC(C)(OC)C1 1286603192 OLHIIBWZUCUEFL-UHFFFAOYSA-N 442.560 4.631 30 10 IJEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccccc1C 1286610123 XTNWUMHVNSVGQK-NRFANRHFSA-N 444.583 4.615 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCCc2cc(OC)ccc2OC)CC1 1286649014 OSGXTINDJXOWCE-UHFFFAOYSA-N 438.597 4.737 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN(C)[C@H](C)CC)CC1 1286651785 LKLPJJUFLMZZKG-RTBURBONSA-N 429.584 4.690 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cccnc1OCC 1286716841 MNDWOBWJOBASBY-UHFFFAOYSA-N 446.580 4.841 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1286732378 RDJYUZDNPPEBSO-QMHKHESXSA-N 442.560 4.681 30 10 IJEE Cc1nc(C[C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(C)(C)C)C2)no1 1290446460 CNHAGJRUKLWOIW-FQEVSTJZSA-N 447.587 4.794 30 10 IJEE C#CCN(C(=O)CCC[C@@H](O)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1293513852 RUXDVBGXNSFHHH-LEWJYISDSA-N 442.353 4.638 30 10 IJEE N#CCCN(C(=O)CCC(=O)N1CCC[C@@H](CCCc2ccccc2)C1)c1ccccc1 1295276366 CNSHGGPXCQXFLY-XMMPIXPASA-N 431.580 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N[C@H](C)c1ccccc1 1300286271 HBIWOJRYCVUIJT-ZWKOTPCHSA-N 436.991 4.581 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCN1CCCCC1 1300321463 NCAWBKQBRYUYBH-QFIPXVFZSA-N 437.632 4.623 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCCCC1 1300345430 WPJXKKGNSMEDOJ-UHFFFAOYSA-N 431.378 4.900 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(OCC)CCCC1 1300612302 YBFYGBMXLABXBS-UHFFFAOYSA-N 437.407 4.578 30 10 IJEE C=CCN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O)[C@H](C)COC 1300717740 MJVOOHFJYQRZJJ-CYBMUJFWSA-N 437.323 4.614 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(F)c1 1300881295 NITXUDFHRCUVCR-XMSQKQJNSA-N 439.510 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCC[C@@H](C)C1 1300900065 MLWNJLRIHVNJMP-WOJBJXKFSA-N 429.584 4.692 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1300971937 HTBWLSHMKGXNOV-SFHVURJKSA-N 429.634 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)cc2C)CC1 1301070661 RWRNURPFPLLACI-UHFFFAOYSA-N 426.362 4.857 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(CSC)cc2)CC1 1301088625 CHAIVQLFQQRTQX-UHFFFAOYSA-N 425.627 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1301143262 GTLTTWNDDKXYAP-GOSISDBHSA-N 440.548 4.533 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301229701 XUYZGIQHZIPGJG-UYAOXDASSA-N 431.625 4.717 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)c1ccccn1 1301951552 BACPSMGEIXAMNH-ZWKOTPCHSA-N 436.535 4.526 30 10 IJEE C#CCN(C(=O)CCC[C@H](C)c1cccc(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656563 YVYGVJJXWMZCMG-FQEVSTJZSA-N 442.600 4.830 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC(C)(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307237547 DFIOHURTHUYUES-KSSFIOAISA-N 447.670 4.800 30 10 IJEE CC(C)(C)c1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n2)cc1 1347918124 AODKTKRTKFOIJP-GOSISDBHSA-N 444.560 4.971 30 10 IJEE C=CCN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1348496542 BSGPDDJBKPFEMR-SFHVURJKSA-N 425.554 4.943 30 10 IJEE C=CC[C@]1(C(=O)NCCOc2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1350807994 YUAKJHIGJVMBJW-OAQYLSRUSA-N 442.478 4.546 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1C[C@H]1C(F)(F)F)c1ccc2c(c1)OCCO2 1351532571 SZOFTLVKDQUTAV-QZTJIDSGSA-N 433.426 4.754 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)c1 1354646021 LSJOYSKEBANLOT-UHFFFAOYSA-N 436.870 4.963 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC1(Cn2cnnn2)CCCCC1 1355695845 FWDXMDJGECGIEF-UHFFFAOYSA-N 446.530 4.566 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCOC1CCCC1 1358883038 MLJGQBMTSKYNJL-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1358909150 VRLXMKKOWSGVGG-YLJYHZDGSA-N 443.389 4.516 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC1CCCCC1 1358942876 NLJLXZBANOTFQE-UHFFFAOYSA-N 445.405 4.825 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)ccc1SC 1359014635 QPPMCVKYELSJBB-UYAOXDASSA-N 430.593 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1(C)CC1 1359070215 IEPDOTJFUANSTI-RUZDIDTESA-N 441.620 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)c1cccs1 1359116101 XWLQJEMWTVIUNQ-XMMPIXPASA-N 440.613 4.846 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1359134323 SCVLAFADEBTFFY-IBGZPJMESA-N 443.661 4.789 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ncccc2C)CC1 1359158852 GOSZIIQHZIWKSP-HXUWFJFHSA-N 433.556 4.725 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1359160998 MEXMDDYQKYBAOU-HRAATJIYSA-N 433.394 4.661 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC[C@@H]2OC)CC1 1359161239 VMPBKSKTRRLEBK-KXBFYZLASA-N 449.368 4.818 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCN2CCCC)CC1 1359169105 UOKXJDDMGYVAPM-OAQYLSRUSA-N 441.595 4.807 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359188960 XTRSKKGSZMLVLL-NRFANRHFSA-N 426.609 4.544 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1359194685 ZTKATDGJKVIYAV-DHIUTWEWSA-N 437.632 4.800 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1359198996 HWROOLQUTZFJEY-UHFFFAOYSA-N 425.621 4.950 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1359208707 ROUACMUUXQBKOQ-VQTJNVASSA-N 427.568 4.588 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC[C@@H](C)C1 1359232720 CCRIGOKABHBUIX-HXUWFJFHSA-N 432.616 4.707 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCC[C@@H]1C 1359268113 DNIRNWUCEMVUCU-IBGZPJMESA-N 425.646 4.938 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1359926770 AXZQIKGDNYVQKE-UXHICEINSA-N 434.588 4.744 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCCN1C(=O)OC(C)(C)C 1435353415 XDVHNQDMIDSYIC-QVKFZJNVSA-N 441.355 4.889 30 10 IJEE C=C[C@H](CC(=O)N[C@@H](C(=O)OCC)c1ccc(OC)c(Br)c1)c1ccccc1 1435686382 GNWJTHPSNKYTEO-QVKFZJNVSA-N 446.341 4.538 30 10 IJEE C=CCN(C(=O)[C@H](C)c1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1435899864 LFOVTHZRAUTZCS-DYESRHJHSA-N 444.369 4.742 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 1437442484 OIUPEISHYLDLBM-UHFFFAOYSA-N 428.532 4.556 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCc3ccc(OCC(F)(F)F)c(OC)c3)cc21 1439758291 YHGWLUACNVZUMP-UHFFFAOYSA-N 433.430 4.743 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)C(C)C)ccc2c1=O 1449111046 VCFSYOFKEBZXLH-IBGZPJMESA-N 441.984 4.694 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C)[C@@H]2C)c1 1457490140 AYNXMDBJMMBICV-IRXDYDNUSA-N 432.973 4.592 30 10 IJEE C=CCN(C(=O)c1ccnc(OC2CCCCC2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1459001310 QHIWWUJSRMLJIB-HSZRJFAPSA-N 436.552 4.596 30 10 IJEE N#Cc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)c3ccccc32)ccc1C(F)(F)F 1463628434 BXSTVFSYAUFVBG-IBGZPJMESA-N 428.435 4.918 30 10 IJEE C#CCN(C(=O)Nc1cnn(CCCC)c1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1466412600 LCFOIXIYXXSWTA-UHFFFAOYSA-N 445.608 4.673 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N(Cc3ccccc3)C[C@H](O)C(F)(F)F)c2)cc1 1466790520 HWCLKZWFPPFSMP-QFIPXVFZSA-N 439.437 4.867 30 10 IJEE C#CCN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCCc2ccccc21 1472071306 XISCRQNHGMZONT-CTNGQTDRSA-N 441.358 4.886 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@H]2C)cc1OC 1501223482 ICCUFOURKSUSRS-GGPKGHCWSA-N 425.577 4.917 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1507566763 LZJLNYLGNGBPPH-HXUWFJFHSA-N 434.506 4.529 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1507567558 PYEQBZYKEFOKGA-UHFFFAOYSA-N 432.568 4.863 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1F 1507571413 ADBNEAVYSRYBEO-TZIWHRDSSA-N 430.543 4.915 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@H]1CC 1507644767 NKIQTKFTKSJATE-JOCHJYFZSA-N 449.668 4.613 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H](SC)C(C)(C)C 1507648400 ZSCQWLHTHPNHNF-GOSISDBHSA-N 445.430 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](OC)C(C)C 1507762322 SHRYPIDNVIMJCE-WIYYLYMNSA-N 449.368 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1507802876 DEUDSKPYARTZBG-MZKRTTBSSA-N 444.620 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCSC1(C)C 1507816400 NUDODSPQRSTWSX-SFHVURJKSA-N 428.602 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC1CCN(Cc2ccccc2)CC1 1507819429 QYXFPYJGMLYWHM-XMMPIXPASA-N 437.632 4.834 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1507901508 LBVSARYMYURKAF-NRFANRHFSA-N 439.604 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1507922503 BYNRTBZXXOOHKV-UHFFFAOYSA-N 433.556 4.621 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1noc2c1CCCC2 1507986611 QZXLZDDFUKYUQW-UHFFFAOYSA-N 429.977 4.761 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1507989345 BVDQMGFUAWJOLT-HOTGVXAUSA-N 431.378 4.535 30 10 IJEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1509307230 HPLHYMFVSIHJIL-HSZRJFAPSA-N 434.632 4.811 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1Cc1cnn2ccccc12 1511244094 HCQVNZMAUUZZJY-UHFFFAOYSA-N 427.556 4.716 30 10 IJEE Cc1ccnc(Oc2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2)c1 1520809188 GKFNJIFBTJAHOE-UHFFFAOYSA-N 431.467 4.877 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)c1 1523591712 CZRJZGOGNCRMBX-UHFFFAOYSA-N 437.515 4.581 30 10 IJEE Cc1nn(-c2cccc(F)c2)cc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 1526463686 FXWWMJPKCPHQQY-RYUDHWBXSA-N 437.359 4.959 30 10 IJEE C=CCCC[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 1527489710 MNLKRNFDYWYHBX-ZEQRLZLVSA-N 426.988 4.970 30 10 IJEE Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(C#N)c1Br 1529124150 HXUQKPPQGFOUQO-UHFFFAOYSA-N 430.283 4.788 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(C)C)C2)ccc1Cl 1532822488 XVMZDYBJWHWBSJ-LJQANCHMSA-N 447.000 4.839 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnc(-c3cccc(Cl)c3)s2)cc1 1534002814 KBDYHPGCWPRDNO-UHFFFAOYSA-N 447.969 4.522 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(c2cccc(F)c2C)[C@@H]2CCO[C@@H]2C)cc1OC 1534920075 KACAYNXXFDZJPU-PNNDPPIWSA-N 425.500 4.931 30 10 IJEE C#C[C@@H](NC(=O)CCc1cc(Br)cs1)c1ccc(Br)cc1 1535483626 OVHPWBLYYCWRLT-OAHLLOKOSA-N 427.161 4.696 30 10 IJEE Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCN(c2ccccc2C#N)CC1 1536523907 CCQIQIDHJPCGRQ-UHFFFAOYSA-N 441.318 4.791 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)c1 1536870158 BGOFDEZVYJVMBO-UHFFFAOYSA-N 440.503 4.784 30 10 IJEE C=CCN(C(=O)Cc1coc2cc(Cl)ccc12)[C@@H](Cc1ccccc1)C(=O)OCC 1537325438 OFRJNLSHNOENCJ-NRFANRHFSA-N 425.912 4.818 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1539066598 XQOPJBFUELSJDL-FQEVSTJZSA-N 443.389 4.690 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1539102483 GEQQRWVPVHXVFK-UHFFFAOYSA-N 447.627 4.637 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccccc2)C1 1539142531 SGOZPWSPJPBPGH-VXKWHMMOSA-N 449.599 4.757 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(SC)CCC1 1539296714 TZCMFJUEBOSOJY-GOSISDBHSA-N 443.016 4.820 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1cccc(C)c1 1539347410 SBZVFSYIXXXHLE-QGZVFWFLSA-N 440.389 4.618 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(CCC)Cc1ccc(F)cc1F 1539509869 AGVBRALJLVOGEN-UHFFFAOYSA-N 441.551 4.710 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(C)cccc2C1 1539586714 OBZQXTSNGPPSMF-UHFFFAOYSA-N 444.764 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)c1ccsc1 1539651821 LAWFPFNSXAEDFJ-JOCHJYFZSA-N 448.539 4.918 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1539694702 JYOALRZYSPFCAP-GCJKJVERSA-N 428.577 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)c(F)c1 1540146787 FKFQAXNZTYELOA-OAQYLSRUSA-N 442.560 4.774 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)C1 1541375772 BPNAZRFSYNLJOH-QPPBQGQZSA-N 434.632 4.954 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 1542303937 QVOUUJZMXVZBNQ-UHFFFAOYSA-N 437.912 4.861 30 10 IJEE CCO[C@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1547843944 AUYHKXRHOSFCPS-ZJSXRUAMSA-N 427.568 4.589 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1CC1(OC)CCC(C)CC1 1555555479 DBQHJJUYOZQQPE-UHFFFAOYSA-N 445.995 4.560 30 10 IJEE C#CCC1(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CCCCC1 1558513728 JWXRRGLOLLEHNM-UHFFFAOYSA-N 434.565 4.521 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1Cl 1559346876 DCEWBYAOEKIPMY-KRWDZBQOSA-N 448.036 4.574 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC[C@@H]3CC(=O)OC)c2C#N)C1 1560056312 FIQWGNWXQVHUPD-IAGOWNOFSA-N 445.629 4.517 30 10 IJEE C[C@@]1(NC(=O)Nc2cccc(OCC#N)c2)CN(Cc2ccccc2)C[C@H]1c1ccccc1 1562195690 IASBWRHOULLCNF-AHKZPQOWSA-N 440.547 4.769 30 10 IJEE C#C[C@H](NC(=O)CCCCC(=O)c1ccc(OC)cc1)c1ccc(Br)cc1 1569673781 NSMUMMJCEJWQQU-FQEVSTJZSA-N 428.326 4.692 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1583585449 UMCBHBKDELCZTD-VQTJNVASSA-N 430.907 4.926 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(C)nc(N2CCCC2)c1 1587562607 RDRLVBFDOPDIHW-XUZZJYLKSA-N 442.611 4.630 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC2(CCOCC2)C1 1587718718 MSMZSCBICLUTDK-UHFFFAOYSA-N 449.418 4.580 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1588452280 PVCJGCPUAVJLFL-OFNKIYASSA-N 426.630 4.790 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1c(C)coc1C 1588697199 QWYASIYCEMMUSN-UHFFFAOYSA-N 444.988 4.568 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1589721982 KFBHYGSJHBNXEN-NVXWUHKLSA-N 426.362 4.994 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1593718434 YHBPLCWRZBPAJW-ICSRJNTNSA-N 428.577 4.570 30 10 IJEE C=C(Cn1c(-c2cccnc2)nnc1N1CCC(C)=C(Br)C1)c1ccccc1 1593781914 AXCJTAMGGWYKPP-UHFFFAOYSA-N 436.357 4.933 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1594473476 SNQLLLKNMCEASP-KDURUIRLSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC2(CCCC2)C1 1594522170 YXUONATZXKVDGE-UHFFFAOYSA-N 438.616 4.824 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1594581966 IUANNTSDBCZRBY-CTNGQTDRSA-N 437.588 4.534 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1N1CCOCC1 1594583120 XWYAFVRPKHBXFV-UHFFFAOYSA-N 435.572 4.676 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CCCS1 1595171546 WMWPWTWEMOLIIG-HSZRJFAPSA-N 425.602 4.611 30 10 IJEE C#CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)[C@@H]1CCCc2ccccc21 1611222665 HBYNESXQSPHWBL-XMMPIXPASA-N 428.536 4.516 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F)C(C)C 1615883654 AQMMHYBIQOMDIC-HXUWFJFHSA-N 434.506 4.628 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1ccc(Br)c(I)c1 1623031825 WJGNKLWSCJHWAD-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE C#CCN(CC1CC1)C(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1623230764 HHMXASCKYCNBED-AREMUKBSSA-N 442.559 4.732 30 10 IJEE CCN(CC)[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)c1ccc(C(F)(F)F)cc1 1625504915 AYQZEGHWTROCOY-ZDUSSCGKSA-N 445.898 4.892 30 10 IJEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1627608594 JRCCVXUUOMDRSB-SFHVURJKSA-N 437.378 4.694 30 10 IJEE C=C[C@@](C)(CC)C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1629683991 HSNYQWMMFVMWIC-VWLOTQADSA-N 444.620 4.833 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cc1F 1632849635 AAJCXDKZXYDBJO-RZRCNZQPSA-N 427.951 4.609 30 10 IJEE C#CCN(C(=O)NC[C@@H](OC)C1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 1637282658 LLGCMEWFGALMBK-PZJWPPBQSA-N 449.389 4.513 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c2ccccc12 1637341176 DEVRHYHABPETCV-SFHVURJKSA-N 431.330 4.848 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)ccc1N 1638813823 DVOYNMQQHFEQFB-UHFFFAOYSA-N 426.108 4.611 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CCCF 1644945249 SWEAEDKSNHSREQ-QFIPXVFZSA-N 444.934 4.854 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)cc2n1 1646451031 UHHXNGOSPFEYHI-OAQYLSRUSA-N 432.524 4.695 30 10 IJEE Cc1c(Br)cc(C#N)c(=O)n1Cc1cccc(OCc2ccc(F)cc2F)c1 1651914595 FMGXBPDHAPZWBF-UHFFFAOYSA-N 445.263 4.696 30 10 IJEE C#CCOCCSC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 1652345216 CNHWJAJVNKKAFM-LGMDPLHJSA-N 432.954 4.537 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1cnc(Br)c(C)c1 1652469072 AFIVXHJSMQJFIA-UHFFFAOYSA-N 449.349 4.940 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc1 1654034021 OKXRFODELPCBLT-JOCHJYFZSA-N 433.017 4.792 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 1654703098 YLRJWLMAUAVMDY-MRXNPFEDSA-N 432.395 4.739 30 10 IJEE CC(C)(CNC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccc(Br)cc1 1655919947 DPCOMQBFLBAZFR-UHFFFAOYSA-N 428.374 4.973 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(F)c2)nnc1-c1ccc(OC)cc1 1656026012 YLHQAJBEDMORFQ-UHFFFAOYSA-N 432.908 4.663 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@]2(CO)CC[C@H](C)c3ccccc32)cc1OC 1657132240 SLPWJHWZMMYBTF-QMHKHESXSA-N 446.385 4.897 30 10 IJEE Cc1oc(NC(=O)[C@H](C)N2CCc3c(Br)ccc(Cl)c3C2)c(C#N)c1C 1658129442 DQJVADMNVUONHK-NSHDSACASA-N 436.737 4.569 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(Cl)cc1F 1658319978 DKBCFCLSHJXLSQ-LAPQFRIASA-N 433.886 4.728 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(S(=O)(=O)C4CCCCC4)c3)CC2)cc1 1662113444 HMZULMYANRELJW-UHFFFAOYSA-N 449.576 4.986 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(Br)ccc2OC(F)(F)F)cc1 1662889675 YNYWMPRAFDZHCN-UHFFFAOYSA-N 443.219 4.681 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(C(=O)OCc4ccccc4)cc3)cc21 1664933760 XAVWLZDKPBCTTB-UHFFFAOYSA-N 440.503 4.901 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(OC)cc2C)c2ccccc2Cl)cc1 1667537878 BPFPMKMIEDPEOM-HSZRJFAPSA-N 425.937 4.706 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCSCC2)c(C)c1)c1ccc(Br)cc1 1668652512 BNIBZABCZWAMQP-LJQANCHMSA-N 444.398 4.807 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)cc1Cl 1673458181 DRJMEVGIWRWTIW-FPOVZHCZSA-N 439.943 4.533 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 1673641981 DYRDENVHHZGQAY-MJGOQNOKSA-N 426.923 4.519 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1673851421 UIZGVDPFPFYAJW-GOSISDBHSA-N 435.446 4.715 30 10 IJEE C=CCc1cc(CNC(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)cc(OC)c1OC 1675381977 RRMVFYPITGRYPO-UHFFFAOYSA-N 436.421 4.742 30 10 IJEE C=CC[C@H](NC(=O)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccncc1 1679335919 WWYXHWJLSVXBIE-FBLLAGFSSA-N 447.510 4.588 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ncc(Br)cn1)c1ccc(C(F)(F)F)cc1 1680632235 ALXGTIBSTMUMAP-OAHLLOKOSA-N 443.267 4.765 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1680750617 MCMKJGDONQELDI-KHOMTPLRSA-N 443.588 4.934 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 1686762108 JBQLSGAPYPCACZ-IBGZPJMESA-N 432.486 4.886 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1687263733 FYJUJLKHKPHZBS-OAQYLSRUSA-N 440.588 4.682 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCc2ccccc21 1689838237 WECMDIWKUNHFOT-HOCLYGCPSA-N 441.398 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1coc(-c2cccs2)n1 1689858009 GQLOSSVEIZRTGV-SFHVURJKSA-N 431.565 4.676 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCc2cccnc21 1690059658 VCXGZSKLTZWVMU-ICSRJNTNSA-N 433.531 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(N(C)C)CCC2)CC1 1690402408 AYRUWFCJVUVTBU-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 1690465471 BTKKMUQMRHYKCQ-UHFFFAOYSA-N 435.597 4.781 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@](C)(CC)C1 1690469102 DMWGEKNIVLYBLU-CYFREDJKSA-N 447.624 4.712 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC1(CC)CCOCC1 1690603876 KBQVBIPJQYYUIS-QHCPKHFHSA-N 438.616 4.962 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2csc(C)c2)C1 1690689717 KFTYONPURHKOII-QGZVFWFLSA-N 432.952 4.937 30 10 IJEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1692109194 BYWNMHXUSCOTIZ-UHFFFAOYSA-N 434.519 4.591 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1Cc1ccc2ncccc2c1 1692346462 FUAHIIMFAWUXTB-QHCPKHFHSA-N 432.572 4.882 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)C1 1693664357 FUISMLOPJYQWEW-RTBURBONSA-N 441.023 4.849 30 10 IJEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2c(C)noc2C)C1 1694865205 BBOXUNATMUBDSB-PXNSSMCTSA-N 448.571 4.764 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 1705527839 LSCXFWRADDVOHT-AWEZNQCLSA-N 426.870 4.799 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCSC1 1705573262 CPYPLWQQCDGMLN-OALUTQOASA-N 443.016 4.514 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCCCC1 1705604522 NXOIPQPTRQSTGH-IBGZPJMESA-N 445.007 4.843 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CSCCS1 1705607346 ZSMUEEPPCFLVSM-QGZVFWFLSA-N 432.684 4.584 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705654334 DUPDRDDBSGPMRX-IYBDPMFKSA-N 433.419 4.556 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](SC)C(C)(C)C)CC1 1705771933 FVLDSDNBECJIKX-HXUWFJFHSA-N 425.602 4.663 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2CCOCC2)CC1 1705778389 UTFOSSDVXCTHGZ-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(F)F)C1 1705794026 SANGUMHGVHHOFO-QGZVFWFLSA-N 428.531 4.600 30 10 IJEE CCC(C)(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C#N)C1 1708303436 CHWADNXJCKDHCT-PKOBYXMFSA-N 445.995 4.853 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(C)C)CC1 1722307909 CAUOXSUXOVPXDN-QHCPKHFHSA-N 437.632 4.616 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C)C1 1722321108 WDFGDIDETAODTJ-KRWDZBQOSA-N 431.378 4.659 30 10 IJEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722357168 SIUHVTCHGYHSNC-OALUTQOASA-N 429.490 4.719 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cnc(C)s1 1722401255 QMHUPCQISWPLGQ-UHFFFAOYSA-N 447.608 4.565 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(C)C1CCCCC1 1722498862 FPFZSBOJKLFRAO-NTKDMRAZSA-N 440.588 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](CC)C1 1722586047 RFNAEWWEMPFLRS-HXUWFJFHSA-N 442.604 4.958 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1csc(CC)n1 1722602298 WCQZMAKFYHYCJN-UHFFFAOYSA-N 425.558 4.685 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCCCC1 1722677361 BLYZIPNTFOFAHY-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(c2ccccc2C)CC1 1722683249 GNPXXUMULVIBSZ-UHFFFAOYSA-N 444.402 4.590 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722739065 DXGYCOAHGVOLQE-OAQYLSRUSA-N 444.645 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H](OCC)C1CCCC1 1740537813 ZUBGANWFLFPEHS-DVECYGJZSA-N 446.599 4.779 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(CC)CCOCC1 1740725889 WCEQABSJFOJPFG-NTKDMRAZSA-N 440.563 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C(C)(C)C)C1 1740754865 HIPXUHKDTSIEAQ-YYWHXJBOSA-N 445.007 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@@H](F)C1 1740774269 PLJXLFLHGFSJLT-AZUAARDMSA-N 449.615 4.933 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1740836872 NZOFDWHFQQQIAU-SFHVURJKSA-N 429.012 4.516 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740860022 URXMFVPTQUJTJJ-FQEVSTJZSA-N 439.585 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H]1CCN(c2ccccc2OC)C1 1740922942 AIMBMENGVVKVRJ-IBGZPJMESA-N 437.613 4.630 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccccc1F 1740924027 CNWQIGNVCYRNHG-DYESRHJHSA-N 442.560 4.990 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN(CC(C)C)C1 1740930107 MQXIKJLBTQMFHP-QFIPXVFZSA-N 446.643 4.983 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1N(C)CCCC1(C)C 1740937495 HPSBGPAVKMJROL-QHCPKHFHSA-N 448.615 4.597 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C[C@@H]1CCOC1)C1CC1 1740942856 NOTNBTVQXAONRD-ROUUACIJSA-N 430.980 4.880 30 10 IJEE CC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)OC 1744168160 BCCQQYFCPNLYDS-SFHVURJKSA-N 434.009 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1csc(C(C)C)n1 1748649608 QOGKADRXIIBCTK-KRWDZBQOSA-N 445.596 4.616 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1748718204 GVSXWPIKBFUJFX-LJQANCHMSA-N 438.601 4.624 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1748739151 XPRSLCIQXFRAHZ-UHFFFAOYSA-N 435.959 4.763 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1748762079 GBSPFYMTWLVRIA-IBGZPJMESA-N 445.032 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1nc(C)cs1 1748858999 OTOBPNZLHFBVME-GOSISDBHSA-N 435.622 4.520 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H]1CCO[C@H](C)C1 1748918066 VTUCYWJSYQCEBE-QZTJIDSGSA-N 445.405 4.681 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1Br 1749129444 DHNAUXBIYKVOIU-WIYYLYMNSA-N 447.421 4.857 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749183074 NEULGIWCILNBHV-OAQYLSRUSA-N 448.615 4.749 30 10 IJEE C=C(C)COCCn1c(CC2CC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1749232096 CKGOYAYZYJNUJB-MRXNPFEDSA-N 445.405 4.710 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C2CC(C(C)(C)C)C2)CC1 1749331025 BTTNRBDRLVEMMP-UHFFFAOYSA-N 442.629 4.748 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 1749334672 JVOWSGAKUBYJRA-JOCHJYFZSA-N 432.597 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1749360037 RVPZITCYXACCQI-LJQANCHMSA-N 447.505 4.967 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1Cc1nccn1C(F)F 1749540970 HXULUDPVLHDROG-UHFFFAOYSA-N 442.445 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)c1ccsc1 1749564384 VTURFHIMQNFTSD-QFIPXVFZSA-N 444.988 4.755 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCCO1 1760225596 UGCXHRQMJQACPE-QUCCMNQESA-N 430.980 4.717 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 1760227504 GMWQMQPWNSXDTD-OAHLLOKOSA-N 441.988 4.913 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1c(F)cccc1Cl 1760359413 NDFYAVDDAOTUTK-UHFFFAOYSA-N 449.983 4.655 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1760392683 ZFKWTPHJGPDLRR-QFIPXVFZSA-N 429.584 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCCCC1 1760412129 VFXCNIFESSMVED-UHFFFAOYSA-N 448.615 4.811 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N(C)Cc1scnc1C 1760415809 LEGXQSGBBZHLJA-UHFFFAOYSA-N 429.565 5.000 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)OCCc2sccc21 1760458698 QRRIYGUMRYWVRF-OAQYLSRUSA-N 432.952 4.909 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1ccnc(SC)c1 1760498156 HFDCLASCLMLZFD-OAQYLSRUSA-N 435.597 4.530 30 10 IJEE Cc1ccsc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1 1761629034 CQOHOYXGXBOYGG-MBSDFSHPSA-N 439.560 4.895 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1764656108 GCFVFIFKFRKSST-DUXSXAKTSA-N 448.340 4.519 30 10 IJEE CSC1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)[C@H](C)CC#N)CC1 1770476162 FUNBLWIGIPHVDA-CYBMUJFWSA-N 440.400 4.798 30 10 IJEE COc1cc(OC)cc(C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)c1 1860461649 KPQJYQRKDQEZMR-UHFFFAOYSA-N 435.867 4.733 30 10 IJEE N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 1860858845 ZBANZNQDESHSEL-UHFFFAOYSA-N 434.839 4.553 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCCn1ccnc1 1862429545 POFOASOIQLEEAG-OAQYLSRUSA-N 435.911 4.514 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(O)c1 1862430683 PGKVVDZARNXNNC-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)ccc1O 1862436233 OICXTDUJOKZECT-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862461449 FWGFIDDQJHWKIO-HXUWFJFHSA-N 447.453 4.626 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCCCO 1862649509 ZUTSFBMZDGDYIG-XMMPIXPASA-N 429.516 4.889 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862687681 NZKIFUJGGTWWRV-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCOC)C1=O 1863626500 QITGIVHTDDZANI-UHFFFAOYSA-N 427.372 4.670 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc(CC)cc1 1865503336 SSXBOLGWGVCLGZ-JOCHJYFZSA-N 448.611 4.559 30 10 IJEE CCOC(=O)c1sc(NC(=O)CCCCCC(=O)N2CCCCCCC2)c(C#N)c1C 1866198143 XBQGAHZHMRWOMO-UHFFFAOYSA-N 447.601 4.787 30 10 IJEE CC(C)[C@H](C(=O)N[C@@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(F)cc1 1866972217 YBEXCBANDCZHPR-BJKOFHAPSA-N 429.495 4.933 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868398828 QGZZXIMGKYFMBY-GOSISDBHSA-N 432.597 4.989 30 10 IJEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870809541 IRHINBTUKUDMIF-UHFFFAOYSA-N 428.536 4.924 30 10 IJEE C#CCOc1cn(Cc2ccc(O)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871008629 GBHCMQXCECLIFB-UHFFFAOYSA-N 429.303 4.533 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 1871456755 UUOLITKHJVKCMX-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871907473 UTDOYXHDSFGBNE-QFIPXVFZSA-N 444.597 4.686 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCC 1872285702 ACOJBOXFPCAMRE-HSZRJFAPSA-N 449.661 4.504 30 10 IJEE CCCOc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773957 CJQNYXGJZPHHHO-IBGZPJMESA-N 434.517 4.789 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777536 PZFWHUYLDAQKKN-OAHLLOKOSA-N 433.405 4.598 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(CC)cc1 1874237688 QAIDTKJDCCKMQF-MFKUBSTISA-N 436.581 4.999 30 10 IJEE OCCCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874385431 OUQXXWIPVGKODE-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCCC)cc1 1874430156 VMBGASOSGJWKPD-LFVJCYFKSA-N 438.553 4.661 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)c1O 1874455838 NDYFVBAPQSPCAM-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(F)(F)F)c1 1874458186 AIVYDYIPZFNLJY-OPEKNORGSA-N 447.486 4.835 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2cccs2)c1 1874459122 XOKALAABFISOKJ-LSFURLLWSA-N 439.488 4.588 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(F)c2)cc1 1874489151 CKGKIHYPOJPRSW-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CCC2)cc1 1874497328 FKJLAFPGFMUTHM-ZVHZXABRSA-N 444.601 4.898 30 10 IJEE COCc1nnc(SCCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874502001 KWRQUZSELWEUML-WSDLNYQXSA-N 449.349 4.543 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2)c1 1874509037 IECFZSYMCNGXLN-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCC(=O)NCc1ccco1 1874592794 CCJQFTBDGYAWGE-XYOKQWHBSA-N 445.515 4.758 30 10 IJEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCC(N)=O)c([N+](=O)[O-])c2)cc1 1874624441 DFOVUKLNIVCOHJ-NTUHNPAUSA-N 440.496 4.704 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c(C)c1C 1874628159 OQSGLQCMLDRMPD-RVDMUPIBSA-N 429.516 4.903 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC 1874693905 CCEBSZLTHNBQQY-DHZHZOJOSA-N 448.471 4.836 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)c1 1874695283 SQWGCYVZZZPQHM-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE N#Cc1ccc(CNS(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)s1 1891489445 DMPLCAXPZUCXMK-UHFFFAOYSA-N 438.452 4.909 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@]1(NC(=O)OC(C)(C)C)CCSC1)NCCC 1922119109 LYDMEKQFBZKGEX-ZJSXRUAMSA-N 434.646 4.918 30 10 IJEE CC#CCCCC[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2019508985 JWXIQWKZSJVWOT-BJKOFHAPSA-N 429.649 4.964 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1 2037224077 MTWVTDQIHJDKAL-IECBHUPTSA-N 443.544 4.728 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038664527 DMMCWBVJOGEYEW-ATIYNZHBSA-N 439.600 4.884 30 10 IJEE CC(=O)Oc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080080543 WLMFTRYLOGDQRV-IBGZPJMESA-N 432.318 4.646 30 10 IJEE C=CCO[C@H]1[C@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H](SCC)[C@@H]1OCc1ccccc1 2081158816 LABRSGYDXODRRZ-OBRABORZSA-N 442.577 4.735 30 10 IJEE CC(C)(C)c1nn2c(N)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc2c1C#N 2081200459 REEWAJJTZMTNLB-UHFFFAOYSA-N 438.251 4.929 30 10 IJEE O=C(C1=CCC(F)(F)CC1)c1ccc(Br)cc1I 2086149760 RZJNOBWLRMIKEQ-UHFFFAOYSA-N 427.026 4.982 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3cc(Br)cc(F)c3C#N)CC[C@H]2C1 2163692754 QIWZKPRBXYHZDH-GUTXKFCHSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cccc(Br)c1C#N)CC2 2174808591 PXALFMRSESQLDE-UHFFFAOYSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1Br)C1CCCCC1 2181107950 NLIJGFHLJUXRIO-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)n1 2190477375 DWSISSGVQFUPJQ-JVNMPXIPSA-N 448.416 4.509 30 10 IJEE N[C@H](C#Cc1ccccc1Br)CCCCCNC(=O)OCc1ccccc1 2214987934 MSYZOWJMZVWZAP-FQEVSTJZSA-N 429.358 4.615 30 10 IJEE COc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1NC(=O)OC(C)(C)C 2255816195 AMKLLQIIJFUSDB-UHFFFAOYSA-N 432.326 4.607 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267579051 MSSVQTASVQUZOG-UHFFFAOYSA-N 437.389 4.683 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)c1 2268652979 YBBMTXIZZSIAFL-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2289683109 AVKAPZXRVZDZTC-PMACEKPBSA-N 435.406 4.667 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2296221665 KOSDCCWRVBVANY-MAUKXSAKSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@@H](O)C#Cc2cccc(Br)c2)C1 2296223647 BYWHDNRXOAHUGU-MOPGFXCFSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(O)C#Cc2ccc(Br)cc2)C1 2296288396 GTCSRXDHXKRADN-VXKWHMMOSA-N 434.374 4.733 30 10 IJEE N#Cc1cc(N2CCC[C@@H](CCc3ccnc(NC(=O)c4ccc(F)cc4)c3)C2)ccn1 2296587270 WWEQPCQLEMESLX-IBGZPJMESA-N 429.499 4.589 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2306522202 KAIDLQCINXETNM-QDMVCWPOSA-N 428.573 4.601 30 10 IJEE C=CCOC(=O)C=Cc1ccc(OCc2ccccc2F)c(I)c1 2314019464 XEZMBBMAWIKLMO-UHFFFAOYSA-N 438.236 4.752 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2317352724 BWWVEIBOJHVTHS-UHFFFAOYSA-N 430.354 4.505 30 10 IJEE O[C@H](C#CC1[C@@H]2COC[C@@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319049099 YUFBSRGANKLFCN-KKUQBAQOSA-N 426.512 4.774 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2319668331 FXJYCSSRRBUWJH-QHCPKHFHSA-N 430.354 4.732 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C3CC3)cc(C)c2C1=O 2322775054 GOVFZBHHALTYOT-UHFFFAOYSA-N 429.266 4.698 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324088410 MJBQVFOAJHODRR-UHFFFAOYSA-N 443.547 4.534 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301747 NXRIBJSTKSTTOK-HNNXBMFYSA-N 428.419 4.720 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(F)cc1F 2326269053 ASWHAYCOYDYITJ-UHFFFAOYSA-N 444.507 4.737 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2326405889 OURFVMROYSHWIB-UHFFFAOYSA-N 430.961 4.999 30 10 IJEE COCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1OC(C)C 2331245887 FAWHMILQQOYPNA-UHFFFAOYSA-N 428.533 4.568 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccccn1 2331447474 YQYPAKZPYGHXMY-UHFFFAOYSA-N 443.455 4.663 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2)cc1 2331684107 SXJSEICDEPOZTQ-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2cc(Cl)c(OC(C)=O)c(OC)c2)cc1Cl 2331695242 BVVPEVIQTHBTFF-UHFFFAOYSA-N 425.264 4.841 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(F)cc2F)c1 2331717269 OTYHLHGMYKJRAR-UHFFFAOYSA-N 441.507 4.664 30 10 IJEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2339536641 LMKRCRFJKKADGY-DEWHONNTSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1(C)CC1 2339578624 JNEJYFASPGQDJM-GPZRYRNASA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339597212 PLVJVPDYCVMPIN-CYNGKWMKSA-N 443.397 4.785 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(COC)c1 2362288345 LYODJWNCGDLCON-OALUTQOASA-N 439.394 4.553 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@@H](O)C#Cc2cccc(Br)c2)C1(C)C 2370360313 QRNKJCLRCJGTGU-NZSAHSFTSA-N 436.390 4.881 30 10 IJEE O=CC1(Cc2ccc(I)c(Br)c2)Cc2ccccc2C1 2377430192 UTTIPFFSQGBWMM-UHFFFAOYSA-N 441.106 4.580 30 10 IJEE CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)C2 20884571 ILNIBVPWGJRVEA-AZUAARDMSA-N 449.547 4.885 30 10 IJEE CCOc1ccccc1NC(=O)CCSc1n[nH]c(N/N=C(\CC)c2ccccc2)n1 21081692 LTJVKPQZJCHDQH-KOEQRZSOSA-N 438.557 4.551 30 10 IJEE CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccs1 21648647 AUTDQZYLORHJPS-LLVKDONJSA-N 429.596 4.568 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 41358159 GIWMFNURKGHFNM-IWIPYMOSSA-N 443.499 4.834 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(C(=O)/C=C\c3ccccc3)c2)c1 59522320 JSEPNMLMOUYZMX-QXMHVHEDSA-N 441.487 4.752 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@H]3c2ccc(C)c(C)c2)cc1OC 98036942 GHIGEHBECLKRGT-VGSWGCGISA-N 445.519 4.708 30 10 IJEE CCOc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1 110521530 BDUINCPOTXPKBT-ZMOGYAJESA-N 446.455 4.938 30 10 IJEE CN1C(=S)N[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)C2=C1CCCC2=O 169936459 UJWFORGIDZJEPO-OAQYLSRUSA-N 430.932 4.926 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccc(C)cc1 169944850 HNWXTVBEBWRSLC-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)c1OC 169951376 MJJTXPHZUMHQPX-JOCHJYFZSA-N 435.520 4.842 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(O)cc1 169959954 OOMFWVHLGSYQOD-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccnc2)cc1C 170012085 IFAYVGIIPCBOLE-QHCPKHFHSA-N 430.479 4.659 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170082883 JCAAKYRBXRRGNM-HSZRJFAPSA-N 442.446 4.791 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170102090 UVUUMYDUVXRKAG-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(N(C)C)cc1 170128879 HRLRSZLANKGIDD-QFIPXVFZSA-N 436.552 4.756 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)cc1C 170154419 BAFXFLFWWUTDDE-IBGZPJMESA-N 425.531 4.905 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccccn1 170181045 KNDPYMUDZHIRLK-HXUWFJFHSA-N 444.915 4.521 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccnc2)cc1C(C)C 170186273 DEKWLYMCQBPRMG-HSZRJFAPSA-N 444.487 4.702 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)ccc1OC(C)C 170208174 JXCYEDSFANRDMQ-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccc2)cc1 170225032 CIYRARNVASORPD-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)cc1OC 170240150 JIEOYOSLUUXSIF-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)cc1 170242006 MNCQPODHEHWHAA-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(Cl)c1 170246527 DIGNHCJJFRXRBX-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(CC)cc2)cc1 170265172 MKCLBHLZMXIKAR-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1cccc(O)c1)c1cccs1 170384643 CXPGYBMOAGNUKS-JOCHJYFZSA-N 446.528 4.837 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)cc1 170428892 QJDNNPQNOUKQMV-HXUWFJFHSA-N 433.508 4.704 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(O)c(OCC)c3)C(=O)N2CC)cc1 252622491 NWKVQUNSCOJKJS-KWKLDLJFSA-N 440.521 4.592 30 10 IJEE O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 254623494 MFOLYMFHYVBCPJ-CMEWOCMCSA-N 445.544 4.920 30 10 IJEE O=S(=O)(Nc1ccc(F)cc1)c1ccc(N=Cc2cc(Br)ccc2O)cc1 254756789 HCFTXMIJZPFTRL-UHFFFAOYSA-N 449.301 4.845 30 10 IJEE N#CCOc1ccc(CNc2ccc(I)c(Br)c2)cc1 312255523 LEDGWXBUFVYNME-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE C=CCn1c(SCC(=O)N(CC(C)C)CC(F)(F)F)nnc1-c1ccc(C)cc1 489611235 AGPNLQTZWMJHJZ-UHFFFAOYSA-N 426.508 4.579 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 508893886 ITUUENBFVQKHDS-IBGZPJMESA-N 443.320 4.611 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)s2)cc1 523813667 BFQHJPVFBMVVLO-UONOGXRCSA-N 428.489 4.722 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(Cl)cc2Cl)o1 526829806 AYQDPHFOQYDFIF-NKVSQWTQSA-N 439.324 4.838 30 10 IJEE COc1ccc2cc(-c3noc(CCC(=O)N(CCC#N)c4ccccc4)n3)ccc2c1 546977481 KYPSBCNAEJQGKC-UHFFFAOYSA-N 426.476 4.778 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCc2ccccc2)CC1 558946054 RDYVPNVSXGCDBL-UHFFFAOYSA-N 438.535 4.973 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2cnn(C)c2)CC1 580702805 ZJCJJIQPTUDZHJ-HXUWFJFHSA-N 434.588 4.729 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)c2c(F)cccc2Cl)cc1 585827848 JJKXVBHCRFROAZ-LKYLCZLLSA-N 428.935 4.593 30 10 IJEE CC(C)(C)C#CC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686843314 FAOYSUZYXWWQEM-QFIPXVFZSA-N 428.617 4.737 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCC2(C1)OCCO2 712792936 BJWYJOXJJSIZPZ-IBGZPJMESA-N 437.334 4.770 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)c2)[n+]2cc(O)cc(Cl)c2)c1 738007490 LSBKUCBBOGTMRL-UHFFFAOYSA-O 437.928 4.646 30 10 IJEE C#CCN(CC)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C 746457626 NLOKKJOZSNJREW-ZHACJKMWSA-N 430.577 4.686 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCCN(c3ccc(C)cc3)CC2)c1=S 764912213 YYPACYZCENTNJP-UHFFFAOYSA-N 434.613 4.530 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nn(CN2CCO[C@@H](c3cccc(OC)c3)C2)c1=S 765147887 ATQASAPEAJPNBN-JOCHJYFZSA-N 436.581 4.615 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnc(Cc2ccccc2F)s1 773980965 VYZQULSLQMAGCW-SFHVURJKSA-N 435.524 4.959 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(Cl)cc1Cl 787043673 BMLARVKHYDCJLB-BSLXNSKLSA-N 437.273 4.961 30 10 IJEE Cc1ccccc1-c1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 796212727 CQLPZBBJTBFVGO-AWEZNQCLSA-N 435.505 4.564 30 10 IJEE C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 799215532 MNLKCHXPJGMSPC-SFHVURJKSA-N 445.466 4.607 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(OC)c1 1124590469 FWUNBMJGTHMXJQ-UHFFFAOYSA-N 439.493 4.781 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)C(F)(F)F)cc1 1128972567 YNEVDAWDNVWPAK-INIZCTEOSA-N 440.443 4.610 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](C)Sc3ccccc3S(=O)(=O)CCC)cc21 1134354318 WJCBUQHLSGBVBK-INIZCTEOSA-N 443.594 4.525 30 10 IJEE CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1138451262 BGGKKIVGSMHXAK-HSZRJFAPSA-N 447.922 4.859 30 10 IJEE C=C1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 1166321884 OWDOMXXRKFIMHR-FQEVSTJZSA-N 443.334 4.606 30 10 IJEE C=C[C@@H](C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1C(C)C)c1ccccc1 1167531703 QVDLUKJMDLOGHI-CYBMUJFWSA-N 435.368 4.685 30 10 IJEE C=CC[C@@H]1CCCN(CC(=O)Nc2c(Br)cc(C)cc2Br)C1 1171848085 XXDNSHCWUQZSPQ-CYBMUJFWSA-N 430.184 4.747 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2c(F)ccc(C3OCCO3)c2Cl)cc1 1178895748 ZPCPKXCRYZFIEG-UHFFFAOYSA-N 430.907 4.951 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(SC)cc1 1209064110 IGNNXBKDDXUWKY-UHFFFAOYSA-N 430.364 4.687 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cccc(Oc4ccccn4)c3)CC2)c1 1215476891 AIYKZLXXLDWJFZ-UHFFFAOYSA-N 427.508 4.532 30 10 IJEE C[C@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1219885688 HXDPPIVPXBDYLC-VOJFVSQTSA-N 425.357 4.849 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 1222659645 HBGDXGZGXKJNQW-SZPZYZBQSA-N 437.584 4.515 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC)c1ccccc1 1252448927 MGZVMJRTYVYSOL-VXNXHJTFSA-N 433.552 4.582 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)Oc2cccc(Br)c2)cc1OC 1265581142 RKFQSPGERHVDOG-PXUDHTSWSA-N 446.341 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1Cc1cn(CCCCC)nc1C 1286517351 GHUCSCPDDPOEGH-AREMUKBSSA-N 446.599 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCSC1 1286566484 NBKGZBDQWQXXPD-QFIPXVFZSA-N 432.659 4.546 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286589792 DNYOPUYYANXPNO-RBUKOAKNSA-N 431.378 4.740 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1286599471 VOXBRCJIDOKIDX-MRXNPFEDSA-N 441.567 4.623 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C)C1CC1 1286731604 BSABQCSXSHGRDS-MSOLQXFVSA-N 432.012 4.793 30 10 IJEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](SC)C(C)(C)C)C1CC1 1286736943 ICFREYWDQPTMFL-GOSISDBHSA-N 438.601 4.526 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC[C@H]1C[C@H](F)C1 1286744295 HAKIJWFAUXTJFM-MXVIHJGJSA-N 425.577 4.965 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC[S@@](=O)C(C)(C)C 1286760102 JVPGOJUBWUNQSX-WJOKGBTCSA-N 440.613 4.629 30 10 IJEE C[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Br)s1 1291131601 FYYGNYZYFKNGQE-CQSZACIVSA-N 442.386 4.872 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 1295408961 PTUAHCMYBBSLAF-AZUAARDMSA-N 440.588 4.827 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1300338152 AEOKNLKZLLKBGC-IBGZPJMESA-N 431.378 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)C1CCC1 1300875710 NZKPYJXUJRJKFS-CVDCTZTESA-N 440.588 4.712 30 10 IJEE C=C(Cl)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1c(C)nn(C)c1C 1301023057 BNJNINBEFBEVCG-ZDUSSCGKSA-N 445.036 4.871 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1301027311 PARMACTUDGNMLL-RXVVDRJESA-N 444.023 4.781 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN(C)C2CCCC2)CC1 1301135160 TZQJVXROENLUHT-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)CCC(F)F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301158507 HOZBTANTDLHNKG-IYBDPMFKSA-N 441.567 4.743 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1301190442 SGFNQMSJLBILRZ-UHFFFAOYSA-N 435.597 4.781 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301229698 XUYZGIQHZIPGJG-AZUAARDMSA-N 431.625 4.717 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC(C)(C)CCOC)C1CC1 1301317197 SLFNNGUPPQZGBS-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1csc(C(C)C)n1 1301363105 OUNNNKVWVBDRMH-KRWDZBQOSA-N 443.642 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccc(F)cc1 1301365705 WOBGBAGEWBLNBR-HSZRJFAPSA-N 426.561 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301379471 MBNFLXFPYNQLLY-FDDCHVKYSA-N 446.954 4.644 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccsc2)C1 1303302182 DTIZULHFXPRKFK-HXUWFJFHSA-N 434.613 4.635 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCS1 1304057775 CAFFZOJXKBKKRG-YJBOKZPZSA-N 438.626 4.869 30 10 IJEE C[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(F)(F)F)cs1 1305052729 FWESFVWEOXKOSW-CYBMUJFWSA-N 432.475 4.523 30 10 IJEE COc1cc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1C#N 1308642387 BDLVUMLJXQREQU-UHFFFAOYSA-N 433.502 4.752 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1 1309891149 ZAOZKBRFWXOZTA-OAQYLSRUSA-N 431.916 4.555 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1C 1312003533 NBOICDTUEHXYIZ-FQEVSTJZSA-N 427.342 4.816 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1312960141 TUXXHEXFVOMOQY-UHFFFAOYSA-N 445.510 4.887 30 10 IJEE Cn1cccc1-c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCC(F)(F)F 1314911854 FRQFCRKXLDGOID-UHFFFAOYSA-N 440.473 4.791 30 10 IJEE CS[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N(CCC#N)CC1CC1 1316374067 ATOFHTJUYCTXMJ-GFCCVEGCSA-N 440.436 4.651 30 10 IJEE C=CCN(C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C)c1nc(-c2ccccc2)cs1 1350012830 PKANJOQFJDFVNR-GOSISDBHSA-N 427.570 4.975 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)CCCN1C(=O)OC(C)(C)C 1354008912 HTQBFFPDSVYXRA-OAQYLSRUSA-N 446.598 4.615 30 10 IJEE CN(CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)C(=O)OCc1ccccc1 1355247872 DQBLDHUJGPEEJL-UHFFFAOYSA-N 431.517 4.592 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CC(F)(F)CO1 1358879775 YJZGXVWXXMXFHN-RHSMWYFYSA-N 446.498 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CC2(CCOCC2)C1 1359108169 DWOTTWGQRLNNRN-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1359116297 GFRMUZBUKHXVDL-QTDDQOEGSA-N 430.637 4.804 30 10 IJEE C=C(C)COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1359127741 ZAUGTARVNOGRMO-APWZRJJASA-N 441.576 4.764 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1359132040 LKGCYCBYSUOSKX-OAQYLSRUSA-N 430.980 4.760 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC=C(C)C)CC1 1359165165 IVIPRJKWXRQIJB-UHFFFAOYSA-N 429.609 4.905 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nc(C(F)(F)F)cs2)CC1 1359168517 XVMLGLOHDWBVFQ-UHFFFAOYSA-N 449.502 4.846 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@@H](F)C2)CC1 1359182475 HUPQZBAPCNOBQZ-VNTMZGSJSA-N 447.599 4.589 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1359204908 GBNSRRMHDYVTTB-UHFFFAOYSA-N 440.598 4.633 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359208335 KDIYUDVIMYMZPK-FPOVZHCZSA-N 438.551 4.870 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1359342246 SLNJIDLRIAYOSR-IEBWSBKVSA-N 447.674 4.842 30 10 IJEE N#CCSc1cccc(C(=O)N(CC2CCOCC2)c2ccc(Br)cn2)c1 1436570601 ICTFUVFYPGBZAW-UHFFFAOYSA-N 446.370 4.533 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN(C)Cc2ccccc2)CC1 1443113457 YCODADMKCSRUCN-QHCPKHFHSA-N 443.632 4.607 30 10 IJEE COc1ccc([C@@H](NC(C)C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 1457594055 DIRBPLQIJBMKQH-RUZDIDTESA-N 447.510 4.963 30 10 IJEE C=CCN(Cc1cc([N+](=O)[O-])ccc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1459956323 XUQUPTKQCPQOBR-FQEVSTJZSA-N 447.329 4.520 30 10 IJEE C#Cc1cccc(CNC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)c1 1460890581 VPNDPWSZBXSGJM-UHFFFAOYSA-N 445.569 4.595 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)C(=O)OCC 1462157430 POQFLOGVBQGWRS-AWEZNQCLSA-N 429.872 4.821 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Br)ccc1C1=NCCO1 1467278607 KBIYQACWEDWUNF-UHFFFAOYSA-N 432.293 4.585 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1467701910 FEQYJEJBACHEKD-VXKWHMMOSA-N 445.519 4.544 30 10 IJEE C=CCC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C)C(=O)OCC 1468125813 QMJGSZHWQNWBJK-IBGZPJMESA-N 426.513 4.815 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2n[nH]c3c(Br)cc(C)cc23)cc1OC 1470668662 WYSOGVHHUQFBHU-SOFGYWHQSA-N 442.313 4.859 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 1473313563 BEWOTWOBUZUJTI-SLHLXQHXSA-N 425.960 4.971 30 10 IJEE C=CCN(CC(=O)OCC)Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 1474311809 ZSPYGLHFZAXTEU-UHFFFAOYSA-N 425.529 4.647 30 10 IJEE CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1cc(C#N)c(F)cc1F 1477013796 AZPYBXQNWHJOLJ-UHFFFAOYSA-N 431.830 4.583 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](C)Oc3ccc(Br)cc3)cc2n1 1477121627 WSFOKENBOLCJHW-AWEZNQCLSA-N 429.318 4.574 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C(C)C)C(C)C 1507524823 XKKDWSISNDGYQA-RBUKOAKNSA-N 427.662 4.708 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1cccc(C)n1 1507530639 VTVDEOMGKXPUBZ-HXUWFJFHSA-N 441.535 4.521 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCC[C@H](C)C1 1507545974 HRGDCSZCCOGUDZ-VXKWHMMOSA-N 439.673 4.849 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C1CCCCC1)N(C)C 1507609447 WJGFLABRSFGYQR-HXUWFJFHSA-N 434.415 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507764109 KCMCPKAILWEHDS-LGVUCKNBSA-N 449.643 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1507809425 VAEVKYJTFLPEKO-XTCWOQMQSA-N 432.515 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCc1ccccn1 1507818415 MEDRNHVBVZOYEF-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1F 1507819973 XTNDLQUBMOCCAQ-UHFFFAOYSA-N 432.341 4.636 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C)C(C)(C)C1 1507839872 VYWCICFMBGIRBG-LJQANCHMSA-N 434.588 4.800 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@](C)(CC)C1 1507859163 OXQHWDWGYGDUGK-IBGZPJMESA-N 439.785 4.774 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(C)C)CC1 1507872231 BOZCESWYFGVTKF-SFHVURJKSA-N 438.016 4.975 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1507923613 AVGUNIBKQANRDU-FXAWDEMLSA-N 433.522 4.588 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CCN1CCCC(C)(C)C1 1507997706 WWHWZDIQSFSEAB-OAQYLSRUSA-N 434.632 4.978 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CC[C@@H](F)C2)C1 1508131221 YWZCGKHYWSTFRU-XUVXKRRUSA-N 430.593 4.798 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)Cc3csc(COc4ccccc4)n3)n2)c1 1519604188 HZVNGKNBLJAQKW-UHFFFAOYSA-N 432.530 4.898 30 10 IJEE COc1ccc([C@@H](NC(=O)c2ccc(C#N)c(C)n2)c2ccc(C(F)(F)F)cc2)cc1 1520006436 GZUGDIWSMNBOEF-NRFANRHFSA-N 425.410 4.809 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1522906174 PEOJILPCIKLXIJ-FQEVSTJZSA-N 428.623 4.776 30 10 IJEE C#C[C@H](C)N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1524939155 NPWDWIJJUPSGOQ-AWEZNQCLSA-N 445.375 4.813 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(C(C)(C)C)n2ncnc2n1)c1ccc(C(F)(F)F)cc1 1526560146 HGNSRYPAHFPDAX-INIZCTEOSA-N 431.462 4.878 30 10 IJEE Cc1cc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)nn1-c1cccc(C(F)(F)F)c1 1530726223 APASNOGKWYLXAG-UHFFFAOYSA-N 449.330 4.910 30 10 IJEE C=CC1(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCCCC1 1534268475 KMVFFSAILNUQQY-DAFNUICNSA-N 431.602 4.745 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1 1536694804 QBPMSQJXMUYNPG-NRFANRHFSA-N 445.332 4.913 30 10 IJEE C#CCOc1ccc(COC(=O)Cc2csc(-c3sccc3Br)n2)cc1 1538178334 YEGPXNFBERDUDK-UHFFFAOYSA-N 448.363 4.932 30 10 IJEE C=CC[C@H]1N(C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CCCC1(C)C 1538657370 LHVNJPAKOOXJKV-NHCUHLMSSA-N 430.589 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1538983778 XHDPUPQWEWENBS-IRXDYDNUSA-N 432.515 4.636 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1=CCc2ccc(OC)cc21 1539383999 RXMUEGVHYDQDBX-ISKFKSNPSA-N 448.611 4.695 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(SC)CCC1 1539539606 VZJZJCWLQGPNPF-VGOFRKELSA-N 428.577 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C)C1 1539618978 CMFWVXOKMCRDTH-HQRMLTQVSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CC1CCN(CC(F)(F)F)CC1 1539674100 JFGWMJSAWZANRT-UHFFFAOYSA-N 441.567 4.607 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CC[C@H]1C2 1539758806 NIFOHDCQDVJWNP-RDJZCZTQSA-N 437.371 4.745 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCn2cc(Cl)cn2)CC1 1539836705 XKOXPBPRDXADHA-UHFFFAOYSA-N 437.762 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCN2CC)CC1 1539836902 ZQPWDUITFVXKFW-IBGZPJMESA-N 444.421 4.657 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCSC2(C)C)CC1 1539840033 KILOOUPMJHWRPI-QGZVFWFLSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@@H](CC)C1 1539906016 HKKWMYOTTSXRLT-FQEVSTJZSA-N 430.618 4.896 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2csc(I)c2)C(F)(F)F)cc1 1540105920 AXDKZUJIGPHWLF-CYBMUJFWSA-N 436.192 4.794 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc2c(n1)CCCC2 1540191999 UFHURNNCUAQSCK-UHFFFAOYSA-N 437.975 4.559 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc(N3CCN(CCC)CC3)c(Cl)c2)cc1OC 1543854509 CYRCWKWCZHPMAD-UHFFFAOYSA-N 443.975 4.698 30 10 IJEE C#CC[C@@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1ccccc1 1559702045 IUSZQZBCBCOUSC-GGAORHGYSA-N 431.923 4.965 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCO)C1CCC(CC)CC1 1562929564 ZDQVEGOIUAEXGR-UHFFFAOYSA-N 425.367 4.809 30 10 IJEE C=CCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1568585650 WFGFNVKNKCWBOV-UHFFFAOYSA-N 427.353 4.799 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1C)c1ccc(Br)cc1 1584708880 WSKLLWYPHSNZET-GOSISDBHSA-N 428.717 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nc(C)c(C)s1 1588193738 KSPFHSSZYWCYJY-INIZCTEOSA-N 449.649 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1csc(CC)n1 1589687442 GCPQBLVDMFFCAF-UHFFFAOYSA-N 425.602 4.944 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCN2CC)CC1 1594127637 CGPJHURAZMESCR-HXUWFJFHSA-N 429.996 4.541 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCCC[C@H]2CC)CC1 1594128457 QOGAEVXMYSNESS-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)CC1 1594218484 HLAAXPWIMQAMGL-UHFFFAOYSA-N 444.486 4.743 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@H](C)[C@@H]1C)c1ccccc1 1594552936 UGXKJNASBXOHCS-TUNNFDKTSA-N 433.625 4.954 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(C)(C)C)nc1 1595116894 WVIHGNSFXJRMSQ-JOCHJYFZSA-N 447.583 4.595 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1595854995 VLFTUSFZDAHRMN-IBGZPJMESA-N 426.561 4.974 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)c1ccccc1 1596621762 PRNKXLRJTXVDPT-TZRRMPRUSA-N 436.552 4.626 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)OCC 1596778829 XQQAKIYTWDCMSV-GOSISDBHSA-N 433.291 4.808 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1597057200 DHGBBQGBHXCUGM-IKGGRYGDSA-N 439.396 4.813 30 10 IJEE C#CCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCCc2ccccc21 1597626287 GTIHMCROWMSWSK-IBGZPJMESA-N 436.964 4.824 30 10 IJEE CN(C)c1ccc(/C=C2/S/C(=N/N=C/c3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 1615300719 PHMNNETYGPUWHH-WTGMLGSZSA-N 446.532 4.558 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](O)c2c(F)cccc2Cl)cc1OC 1620811276 RCWALWGGCWAQNS-MRXNPFEDSA-N 444.728 4.638 30 10 IJEE C=C(Cl)C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)C(=O)OCC 1621479092 SNQLRPFNRNLNCF-UFYCRDLUSA-N 436.980 4.791 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 1625399424 IUHRPBUHTQHUFF-SAABIXHNSA-N 426.442 4.604 30 10 IJEE COc1ccc(-c2cc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)n[nH]2)cc1OC 1634081000 DPGDTPXPOYVVOZ-UHFFFAOYSA-N 444.516 4.624 30 10 IJEE C=C(CO)C(=O)NCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 1634961197 NXLLMEICXIOVMT-UHFFFAOYSA-N 431.113 4.713 30 10 IJEE CS[C@@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C[C@@H]1N1CCCC1 1638041280 CWAGPHHUULLCMX-RBBKRZOGSA-N 441.984 4.656 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCCc1ccc2nc(O)[nH]c2c1 1639660619 AKEOBXGCWXYQEF-AWEZNQCLSA-N 430.430 4.551 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CCC[C@@]2(CCOC2)O1 1643491158 LWUYWXATVHJECB-RXVVDRJESA-N 435.977 4.517 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 1643574120 YESWGUDGYOLLPJ-CALCHBBNSA-N 444.567 4.522 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)c2)c1 1644093242 FDUNTNMWMCDQJK-UHFFFAOYSA-N 447.922 4.869 30 10 IJEE CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)c1c[nH]c(C#N)c1 1644938471 CKCCMWYGOAGAAY-UHFFFAOYSA-N 428.261 4.852 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1ccccc1C(F)(F)F 1654808594 CHUWZWNTFQUMPN-RHSMWYFYSA-N 446.391 4.878 30 10 IJEE CCO[C@@H]1COCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1659578867 BMWAWBJMZRSBCO-UYAOXDASSA-N 449.429 4.685 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c(Cl)c1 1660758162 DXIFVSWRRGVMRI-UHFFFAOYSA-N 426.847 4.708 30 10 IJEE COc1cc2c(cc1O)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3OC)cc1)C2 1666638383 AWBQFPXLBYRWSG-UHFFFAOYSA-N 445.475 4.664 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(Br)ccc1-n1cccn1 1667023407 JNDQYHSLIZFAIG-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1ccc([Si](C)(C)C)cc1 1672708873 VIQBMATUCBSNEY-UHFFFAOYSA-N 447.449 4.923 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3Cc4ccccc4[C@H](C(=O)OC(C)(C)C)C3)cc21 1674679998 XJKHAMLMPBNXMU-OAQYLSRUSA-N 432.524 4.695 30 10 IJEE C=CCCC1(CNC(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CCCC1 1678127534 DJZIAJZQWRNVGF-HXUWFJFHSA-N 426.605 4.830 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CCC34CCC4)cc21 1680805944 GBCUSPSBGXTLBU-UHFFFAOYSA-N 439.560 4.620 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 1682356831 NYVWEHQLUPVECQ-PCCBWWKXSA-N 445.332 4.560 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccc(Cl)cc1F 1683517250 UBVVIQKFUNOMBS-FQEVSTJZSA-N 438.890 4.793 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccc(Cl)cc1F 1683689748 RYVOJECGDSOBKY-OAQYLSRUSA-N 445.325 4.952 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1684572016 ARYXUSAMQABXKV-FQEVSTJZSA-N 443.613 4.972 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C(CC)CC)N(C)C 1689835960 VXOIDHSZVXKFLP-LQWHRVPQSA-N 441.689 4.956 30 10 IJEE C=C(Br)Cn1c(N2C[C@H](OC)C(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1690234060 ZNZOVNDVLZOSIV-SFHVURJKSA-N 445.405 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)C[C@@H](C)Cc2ccc(OC)cc2)nnc1C(C)(C)C 1690252191 AVUDUGVTCWTOIL-RRPUWOKSSA-N 440.632 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)OC 1690259489 LJGMNQVAYTYIDR-UHFFFAOYSA-N 437.382 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](C)N1CCCCC1 1690272897 XQPVVLFSRJEONS-YPAWHYETSA-N 431.669 4.864 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2=CCCOC2)CC1 1690396717 KHVQTPLAZQZMDZ-LJQANCHMSA-N 438.572 4.566 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CC)C1)c1ccccc1 1690442188 OATXBKYRTTVPDV-IRLDBZIGSA-N 444.583 4.912 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@H](COC)C1 1690475192 INQVPGGYXWHLSA-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)Nc1ccccc1 1690518662 QTZYJHPBFZGSIS-UHFFFAOYSA-N 435.597 4.927 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCc1nc(C)c(C)s1 1690565867 VWRKCWVISGZMIU-OAQYLSRUSA-N 437.613 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)c1ccccc1 1690571838 KMNMPGPZIAQUCZ-HXUWFJFHSA-N 449.624 4.962 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 1690579122 DLCYBVLAUXGLPK-IBGZPJMESA-N 444.988 4.944 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1cccc(Cl)c1 1690588187 LQPMJWNUCOFZCS-JOCHJYFZSA-N 444.366 4.733 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690736206 WSTWVLLJLMEGPJ-MSOLQXFVSA-N 440.535 4.507 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OC(C)C)CC1 1690737765 WKOIDLNJNJMUPN-UHFFFAOYSA-N 437.613 4.806 30 10 IJEE CC(C)C(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1691010166 CYIHRESPQSZAIV-MSOLQXFVSA-N 432.613 4.628 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2C[C@H](C)O[C@H](C)C2)cc1 1693157879 CXDYMXUFKBBBRP-YSTOQKLRSA-N 427.618 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CCC(OC)CC1 1705481391 FZVQGHANYPTZJK-BRJVHFRTSA-N 426.630 4.795 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1705517820 GBGSWHRBIYVPMB-QHCPKHFHSA-N 429.008 4.884 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](CC)C1 1705529421 IIHOWAWBKXMBAF-OAHLLOKOSA-N 437.382 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](OC)C(C)(C)C 1705668687 RHEPLIJVMNUFMD-WSCWJOSJSA-N 428.552 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H]1N(C)CCCC1(C)C 1705673586 FJFDREGPPNMCNU-HYBUGGRVSA-N 426.008 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)OC1CCCC1 1705698784 YRTDZCBBRDQIPS-FGSXEWAUSA-N 444.551 4.849 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1705831830 DXURUZHRHOBCHW-NQIIRXRSSA-N 430.980 4.872 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(CC)(CC)SC 1705848592 XZNIWOAIOYLRPP-CALCHBBNSA-N 437.654 4.593 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H](C)N1CCC(C)CC1 1705863300 NCYNPGCIBHZZPQ-HSZRJFAPSA-N 444.627 4.577 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@H](C)C1 1705877377 FGOAXSQGUJMALZ-LWYYNNOASA-N 429.609 4.663 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705893057 AKMJLTUZVTWMIH-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(C)C)C(C)(C)C 1712748977 HDEIBAVSCMJWDR-FQEVSTJZSA-N 429.634 4.989 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCCc1cccc(C)n1 1722391476 NTMCKWSUMZANBU-VWLOTQADSA-N 425.580 4.619 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 1722535531 CNCRIGHHXPCDEW-UHFFFAOYSA-N 428.936 4.662 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)C[C@H](C)C1 1722536510 OTEMRWZQKOCRPD-OALUTQOASA-N 430.618 4.654 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1722544202 FFOQGGVVGJUCLZ-GOSISDBHSA-N 425.964 4.700 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2sccc2C)CC1 1722576242 LUPPOIRMAQYDAS-UHFFFAOYSA-N 438.597 4.977 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1722592593 WQXLHXGBZCCOFJ-IBGZPJMESA-N 439.560 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722592744 ZYJAUIZZPCZYPI-UWJYYQICSA-N 434.415 4.886 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(F)(F)F 1722624261 YMXWEAYICKDSLQ-AWEZNQCLSA-N 428.524 4.723 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)c1ncc(C)s1 1722663890 KIVGZYNRTFRQNR-WBVHZDCISA-N 429.615 4.605 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C(C)C)cs1 1740536199 ANZUMEQAJRQLKD-CQSZACIVSA-N 431.512 4.633 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1nc(C(C)C)cs1 1740546857 YYKTWBJXZHNTFX-CQSZACIVSA-N 444.402 4.794 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740596733 DSNSTRHHIMDUSS-VXKWHMMOSA-N 438.641 4.935 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740632939 YMPIVJNYFBMDSE-ISKFKSNPSA-N 444.623 4.662 30 10 IJEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCC(F)(F)C1 1740643914 WMRCDEZNQDCPAN-FQEVSTJZSA-N 435.522 4.570 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@@H](SC)C1 1740721684 QCUKIFYVGPWBIN-HXUWFJFHSA-N 444.670 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCC1CCN(CC)CC1 1740727432 LLIWQGHRYKGLIA-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCO[C@H]1C(=C)C 1740728285 UCSNMJXUPWGZPC-ITSWEJNFSA-N 428.939 4.711 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCc2c(ccnc2O)C1 1740780672 IJODBQUZTSPPCQ-UHFFFAOYSA-N 433.556 4.609 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1cc(C)on1 1740783626 OZEHBAMATVOEDJ-UHFFFAOYSA-N 429.952 4.760 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1740789916 SGKILTBAPDLREO-UHFFFAOYSA-N 426.605 4.884 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCCCC1 1740789997 NSJYZNPQLCYCJU-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1740790427 YLOZVVIYZTVZSG-UHFFFAOYSA-N 440.979 4.741 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCC)CC1 1740841996 IHFOTOWXKBNREL-NRFANRHFSA-N 444.023 4.787 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1csc(CC)n1 1740873304 OOTJDLFNRYHNPN-UHFFFAOYSA-N 433.585 4.752 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1748760112 SZUGOSVGRNPCDT-GOSISDBHSA-N 445.405 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)CCC 1749059138 XBZYGHWZCCNIPN-VWMXVWASSA-N 426.630 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](OCCC)CC1 1749125775 XVMCGAMTNIEKFR-QTEQDKRBSA-N 442.579 4.851 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@](C)(OC)C1 1749200846 YYCAXAOLMWPTEI-HSZRJFAPSA-N 432.996 4.833 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(Br)c1 1749266438 HUVNBRSAVAEMQS-INIZCTEOSA-N 425.758 4.671 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCC=CO2)CC1 1749293927 YOMSVMJAPRXJDU-GOSISDBHSA-N 429.362 4.865 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2cccs2)CC1 1749316277 DPLXDDAQFKYNPH-IBGZPJMESA-N 443.617 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C(C)(C)C)cs1 1760102351 IPTJFADEXIXHTP-AWEZNQCLSA-N 445.539 4.807 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(CN2CCCCCC2)CC1 1760134508 PFYKDSIWYARUGQ-UHFFFAOYSA-N 449.643 4.850 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)OCC 1760288559 GIEXAIAVNKNZFC-KBMIEXCESA-N 440.588 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1760289973 UKUVHGOKFZSISV-MWJRIHONSA-N 440.563 4.897 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC)CC1 1760310390 CZSVHKNCAURQLE-UHFFFAOYSA-N 428.378 4.816 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(F)c(F)c1 1760317725 JQUXUUCVXCWHTM-DYESRHJHSA-N 428.483 4.742 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2cccc(OC(F)F)c2)nnc1C(C)(C)C 1760327414 GWQGOOMLOHWXKJ-PKOBYXMFSA-N 434.531 4.795 30 10 IJEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1760360989 CUQKPXBHAFJVMV-REWPJTCUSA-N 440.588 4.617 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1760434160 ZMAVHHJFEOKOCA-LAUBAEHRSA-N 426.492 4.694 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1sc(C)nc1C 1760482280 DUIDQYVHRKPVKM-UHFFFAOYSA-N 430.581 4.578 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCN(C(C)(C)C)CC1 1760506423 RJEYWNODBCEQGC-UHFFFAOYSA-N 432.616 4.849 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1760541729 GSYQUKQURGDFDP-PLACYPQZSA-N 446.636 4.531 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760559071 CHJQCVNNMHQKPF-CLAROIROSA-N 426.630 4.600 30 10 IJEE CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=Nc1nc(-c2ccccc2)cs1 1772738265 PJFXKAKZGMMVPK-IINGUQHUSA-N 432.530 4.756 30 10 IJEE CCCOc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1C 1860865397 IJFGUTJHYODCRK-UHFFFAOYSA-N 441.531 4.767 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861170694 DPPPRZNVOUAVGX-XMMPIXPASA-N 445.623 4.505 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)cc1 1862413654 IAXGKZHQZVORNU-JOCHJYFZSA-N 443.490 4.921 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862460696 ORWQBYASAFDVBG-IBGZPJMESA-N 448.397 4.637 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c1 1862488775 ICIDAGSUVDOULQ-QHCPKHFHSA-N 447.462 4.632 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1 1862535919 MPNMRYQATUUHDW-QFIPXVFZSA-N 449.938 4.768 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(c3ccc(Cl)cc3)C2=O)c1 1862798265 FYYIPZYHFYMMLM-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868350187 DKKYJMTYGKVOMZ-NRFANRHFSA-N 446.599 4.807 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](c1ccc(F)cc1)C(C)C 1868842205 BAURSGIGUXRYSQ-ZEQRLZLVSA-N 440.534 4.633 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)cc1CSC(C)C 1870229852 WHVDPPNYYONAKI-UHFFFAOYSA-N 440.487 4.712 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc([N+](=O)[O-])cc2)cn1CCCCC 1870685038 FLNGPHVYBQVQHJ-UHFFFAOYSA-N 425.529 4.700 30 10 IJEE C#CCOc1cn(CCCCCCCC)c(CNc2cc(OC)cc(OC)c2)cc1=O 1871007063 KKZPVIBCNCQNAF-UHFFFAOYSA-N 426.557 4.850 30 10 IJEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 1871350671 PAFDHSDZSKRDPU-JLPGSUDCSA-N 436.552 4.728 30 10 IJEE CCc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCn3ccnc3)C4)C2=O)cc1 1871355184 WJMVKLJFIQPCLR-QRVIBDJDSA-N 429.520 4.612 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 1871441352 AMHNUFBBVIQCJG-FMCGGJTJSA-N 445.471 4.646 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccs1)C2=O 1871441952 RYWBNRXNVRQOTG-MTJSOVHGSA-N 433.485 4.893 30 10 IJEE C=CCN=c1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871508731 KMOUWJYRRWOOLX-OALUTQOASA-N 430.556 4.910 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)S(=O)(=O)CCC 1871824794 GRKSMDHWXHLPDG-IBGZPJMESA-N 440.487 4.613 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871868000 ASHJHERQSAAHFP-IBGZPJMESA-N 441.380 4.833 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 1872614013 XNFXYAIZVYARSJ-HSZRJFAPSA-N 430.614 4.963 30 10 IJEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 1872761257 JIQOEHOPQUONCT-FQEVSTJZSA-N 443.528 4.625 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)cc1Cl 1872789373 HHROUYBJEWNPBV-MRXNPFEDSA-N 425.897 4.921 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCCO)c1 1874233798 BSMNHWAEPZDQSA-YZSQISJMSA-N 446.576 4.587 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874283634 RKWBTBKQQLKWOE-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874293792 VEIGRGRTNKLTPI-ZVHZXABRSA-N 433.537 4.518 30 10 IJEE COc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)c1O 1874402461 BJTXBQWLCVOELB-YZSQISJMSA-N 444.560 4.952 30 10 IJEE C=CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874449061 RRAPHSODRZYRQC-KMYAOZERSA-N 430.574 4.868 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1C 1874475072 HYIRUOXXMJSGAV-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccccc1C 1874487689 PLELZURFTRZOSV-MFKUBSTISA-N 435.597 4.960 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COC)nnc1SCc1ccccc1Cl 1874501866 DGWYLCBMCMDZNG-YDZHTSKRSA-N 428.945 4.817 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCC(=O)Nc2ccccc2)cc1 1874522072 ZYCPBDBWVFNJBH-LFVJCYFKSA-N 437.569 4.632 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1F 1874621502 HARUDGIYYMWNQM-QPJJXVBHSA-N 443.858 4.672 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)c1 1874704714 XZXYFXQPPYYPID-NYYWCZLTSA-N 436.435 4.967 30 10 IJEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c1 1875117186 CJZVXOFDQKJFLO-VZUCSPMQSA-N 432.388 4.927 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875190625 YHDZUJVYXYGFCA-RMKNXTFCSA-N 439.464 4.830 30 10 IJEE C=C(I)COCc1cc(Br)cc(Br)c1 1887394499 HXQPJVOMIMLNPB-UHFFFAOYSA-N 431.893 4.677 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(F)c(Br)cc1F 1891918775 LTXXOBLRIHIVNQ-UHFFFAOYSA-N 448.185 4.558 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)CC1 1962840583 ORQGLQWENDPEGL-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(c3cc(Br)ccc3C#N)C2)C1 1965650918 PYWQUOLJTORCKY-MRXNPFEDSA-N 434.378 4.794 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](N)c2c(Br)cccc2Br)C1 1991984238 QXZAVDAQLZZNJB-AWEZNQCLSA-N 446.183 4.825 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCOCC2 2037761018 YBKNMVBAXWDAGN-XMMPIXPASA-N 449.592 4.618 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(Br)cc1C 2039290052 MQXBNNFLFFCMKL-CQSZACIVSA-N 430.412 4.963 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)c(C)c1 2079094773 WJEMNLNXFRBLPU-SJTXTDJHSA-N 445.251 4.850 30 10 IJEE CC(C)Oc1ccc([C@@H](C)n2nc(C3CC3)c(C=NO)c2I)cc1 2080119253 ICTLQEINAVGDKO-GFCCVEGCSA-N 439.297 4.570 30 10 IJEE COc1c2c(nc3c(-c4cc(F)ccc4C(F)(F)F)c(C(F)(F)F)nn13)CCOC2 2081474216 IJDYDTDGUUNVKC-UHFFFAOYSA-N 435.299 4.654 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174568114 MQCCOXFENPAUOO-BEFAXECRSA-N 436.394 4.836 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@@H]2CCCC[C@@H]21 2174813939 BMTHQDDENYNRLS-CABCVRRESA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1C#N)C1CCCCC1 2181115751 XDSMXPQMZYHDHP-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE Cc1cc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)ncc1B1OC(C)(C)C(C)(C)O1 2190480142 ZALPJISHSBDEEG-HYVLGVRCSA-N 448.416 4.509 30 10 IJEE CSCC1(NC(=O)OC(C)(C)C)CC(C#N)(Nc2ccccc2Br)C1 2223028917 XANOCNNZKZHSCI-UHFFFAOYSA-N 426.380 4.544 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@H](O)C#Cc2ccccc2Br)c1 2235739285 GZXWVISRHKIGPJ-LJQANCHMSA-N 432.314 4.890 30 10 IJEE C#CC[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2244548009 JGEPFJNUVKJHPO-FNZWTVRRSA-N 444.575 4.954 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2scc(Br)c2Cl)C3)OC1(C)C 2264616515 PGHFUPWYBDZQIW-DYZYQPBXSA-N 446.603 4.862 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2267465592 XRAUZUFSJJCLGX-UHFFFAOYSA-N 446.353 4.997 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2294938842 YVCKRDIWGLQOAG-IZBJGVDFSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2296288725 KACSMECMERBOJS-JLMWRMLUSA-N 434.374 4.731 30 10 IJEE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1sc2c(c1C#N)CCCC2 2297453375 MWNIZSOBRFMPNK-UHFFFAOYSA-N 441.354 4.980 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3cccc(OC)c3)cc2)SC1=S 2297624843 VBHCOVNBRSZZMU-UHFFFAOYSA-N 441.574 4.930 30 10 IJEE C=CCN1C(=O)C(=O)C(=C(O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 2297746216 MZRRHVLYVIRWBQ-KRWDZBQOSA-N 432.701 4.710 30 10 IJEE COc1ccc(COc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2OC)C3=O)cc1 2314437081 BZBHKAFQLDADEX-UHFFFAOYSA-N 448.471 4.916 30 10 IJEE Cc1nnc(N=C2SC(=Cc3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)s1 2314548253 RQIJFSKPFNPSGQ-UHFFFAOYSA-N 428.539 4.512 30 10 IJEE COc1ccc(C=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c(OC)c1 2314549015 ZNPNHHNSYIFEEL-UHFFFAOYSA-N 444.582 4.800 30 10 IJEE CCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2321841170 OHFRCXVVRYKPOI-INIZCTEOSA-N 449.503 4.925 30 10 IJEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2321853771 DJTZPZPOGNOVFR-UHFFFAOYSA-N 431.400 4.827 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN(CCc1ccccc1)CO2 2322286909 HYGDIVBVBDNEFC-UHFFFAOYSA-N 442.471 4.914 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2323076008 MKLMGJFWLXYVGU-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2323120172 BAYCXBIGVGTBEM-UHFFFAOYSA-N 434.419 4.743 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)cc1OCC 2323222484 FDHMWAKXHRKVAM-UHFFFAOYSA-N 435.564 4.938 30 10 IJEE Cc1cc(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323435495 BPXHIBHKBNCDIL-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)o1 2325631134 JUGQGFLTYGUUQC-OAHLLOKOSA-N 448.431 4.827 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2325728407 WJMIXTXYYZBQIJ-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE COc1ccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SC)cc1OC 2325974698 OAQRDBKGMDTAMI-UHFFFAOYSA-N 446.960 4.564 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(Br)c1 2326238649 YQDIOBVPBCYYQL-UHFFFAOYSA-N 449.349 4.925 30 10 IJEE CCCOc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)CCCc3ccc(C)cc3)CCN2)cc1 2328263775 RNEMLCKXZNGIGG-RSXGOPAZSA-N 448.607 4.626 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2329097454 KRRKSWZLHAPMDS-UHFFFAOYSA-N 427.917 4.981 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc(O)cc2O)cc1 2329943689 ZXTZMODGIUNQCF-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(F)c2)o1 2330667818 UNUWFLZEDRXKHT-UHFFFAOYSA-N 436.468 4.638 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1OC 2330736029 AXNBNYMGGUYLHY-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2F)o1 2330840780 DOOGENKGTFBMJB-UHFFFAOYSA-N 430.505 4.560 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)cc2)cc1C 2331029194 KBSXWPATJQHVQF-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C1CC1 2331402214 AMPYSUGTYJFZMA-UHFFFAOYSA-N 428.868 4.721 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C(C)C)cc1 2331687289 JIRIRRJUDIHZOK-UHFFFAOYSA-N 437.569 4.722 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)CCc1ccc(OC)cc1Br 2339441929 BWNVIKWMOZYMEH-QGZVFWFLSA-N 426.351 4.819 30 10 IJEE C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339596999 NMULOZONYBUAAC-HKUYNNGSSA-N 444.381 4.751 30 10 IJEE Cc1cc(CNC[C@H]2CN(Cc3ccccc3)CC2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682951 SOQNFWDWUADCAY-DEOSSOPVSA-N 448.460 4.542 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1ccccc1Cl 21079096 RCFPYLRALYUAGG-BBUOLYQXSA-N 426.933 4.690 30 10 IJEE C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(=O)O)c3)N(C)C2=O)cc1 33349476 XHOFMZPBRFQJOW-NWJIYFRJSA-N 428.897 4.837 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(O)c(OC)cc5[C@@H]4C)[C@@H]3C[C@H]12 34388581 KWBZASDHYSHVQB-CQIXSCKTSA-N 425.569 4.634 30 10 IJEE biogenic C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc2c(c1)OCO2)C3=O 41661317 WGDIAEAUSNSQNV-VJLQILQTSA-N 427.456 4.945 30 10 IJEE C=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)N(C)Cc2ccccc2)c1 66096230 PEXWEVFOHPWWSS-UHFFFAOYSA-N 443.547 4.964 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1cccc(C(F)(F)F)c1 100193907 SJTBBFFXPNZHJD-QKGJBPELSA-N 439.434 4.825 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923021 ASUZCBJPXVDZNW-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2O)cc1 169923850 LSPLEAIPDIWRFW-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1OC 169942786 LOOXDXFNBGFZCG-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccs2)cc1C 169982684 XMIIIVFWFSYRHU-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccccn1)c1ccc2c(c1)CCO2 169996164 ZRBFVDXSHJQUEV-VWLOTQADSA-N 448.478 4.953 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)c1 170039510 UDLZNPZCRNBFQK-XMMPIXPASA-N 447.531 4.931 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)c1 170102476 XJYRUHOIHVTUFO-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2sccc2C)cc1 170105868 FTFHCUGJHCZWHU-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(C)c1 170141383 SOPGEBWHPYZJSH-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(C)c2)cc1C 170144088 WHWYMRLEGVPGDR-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccs2)c1 170160549 PPNYQFISKAFHIJ-KRWDZBQOSA-N 426.519 4.618 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c(OC)c1 170239817 LSUCVFJVTWZIQD-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(O)c1 170259613 QVVOMRCRKATBOP-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccco2)c1 170278973 SGUUKNJMKMGSHK-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE O=C(CSc1cccc(N=Cc2cccnc2Cl)c1)Nc1ccc2c(c1)OCCO2 254521749 RJIAYFRESQLTCO-UHFFFAOYSA-N 439.924 4.988 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 410343378 FMZBLXJGJJNVJF-HNNXBMFYSA-N 436.371 4.616 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@@H]1c1nc2ccccc2s1 433952697 GZRZVLHIKNCTOM-YLJYHZDGSA-N 434.565 4.777 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435352860 CFSNXJFXOSTJSF-QAPCUYQASA-N 437.487 4.843 30 10 IJEE C=C(C)Cn1c(SC[C@@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1ccncc1 443417608 WWGXXDDJHPFBSG-KRWDZBQOSA-N 434.487 4.631 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 476078166 GMWHBVCQIOLSAP-UHFFFAOYSA-N 432.611 4.566 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1nc2cc(Br)ccc2n1CC 479152152 QLMKOUIKJBPSLN-UHFFFAOYSA-N 427.346 4.717 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 507815521 RDSYCWHQXVEVQE-LJQANCHMSA-N 426.314 4.542 30 10 IJEE CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC 508229829 GUJFQOYZYNSTOA-UHFFFAOYSA-N 447.727 4.520 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c(OC)c1 526523320 XBKZRYJJSCOPSN-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526608542 KBPSYYKAGNKGGS-XMMPIXPASA-N 426.472 4.941 30 10 IJEE COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1 542420878 BEUPGFSYXDENJY-IBGZPJMESA-N 444.329 4.715 30 10 IJEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@]2(CC=CCC2)C1 566573758 CSYZOEVROVDORA-AREMUKBSSA-N 444.583 4.578 30 10 IJEE Cc1cc(Cl)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586208822 TVQNMISRNLEFQH-UHFFFAOYSA-N 441.896 4.824 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1ccc(C)c(C)c1 586274280 FNTOTVUDQKPEMI-UHFFFAOYSA-N 434.517 4.528 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 717984281 ZNMDZRKSHJKYSU-FCHUYYIVSA-N 428.370 4.935 30 10 IJEE C#CCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 743731142 LJCDTHSXIJRHLE-UHFFFAOYSA-N 432.973 4.627 30 10 IJEE COc1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)cc1C#N 746869794 ZRMYPTABWLKMDL-UHFFFAOYSA-N 443.334 4.535 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(C3CC3)C3CC(c4ccccc4C)C3)ccc2c1=O 797733104 WKDDCZCOHLNZLH-UHFFFAOYSA-N 445.588 4.730 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccccc2)n1)N(c1ccccc1)c1ccccc1 1083971328 YILRSLRNLKGDLD-UHFFFAOYSA-N 428.521 4.708 30 10 IJEE O=S(=O)(Nc1nccs1)c1ccc(N=Cc2ccc(Br)s2)cc1 1084298189 QDDKGAFAXMNVTF-UHFFFAOYSA-N 428.358 4.519 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1124173360 VPXKCEHSTJZAEG-QFIPXVFZSA-N 426.582 4.858 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)cc1 1126884389 HNOBZVDYCWOBOD-UHFFFAOYSA-N 447.579 4.672 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC=C(C)C)ccc1Cl 1128046769 XCFMBHQFDPJEKM-UHFFFAOYSA-N 432.973 4.807 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1128072599 TWEBRZYEAFJCQQ-YMPZKCBVSA-N 444.616 4.732 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](c3ccc(F)c(Cl)c3)C(F)(F)F)C2)c(F)c1 1128385492 BAJCRXMTOPEANY-FZKQIMNGSA-N 443.803 4.736 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1F 1129616396 QAGQOXAWZBPYFS-DNQXCXABSA-N 446.909 4.537 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc1ccc(Cl)cc1 1136073268 XZHJFXBLPKTSNF-QGZVFWFLSA-N 431.360 4.651 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N2CCCN(c3ccccc3Cl)CC2)c1C#N 1140260851 CVPDMXXEDQBPJV-UHFFFAOYSA-N 426.973 4.558 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2ccc(-n3cncn3)nc2)cc1 1142401293 BCLVQZTUEDCZII-UHFFFAOYSA-N 432.896 4.591 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1nc(-c2ccccc2)c(C)s1 1147361367 MUXNRSJGPLEENQ-UHFFFAOYSA-N 444.560 4.842 30 10 IJEE C#CCCCCNC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1150711201 JFKZMIBQYKPAEU-NRFANRHFSA-N 444.575 4.957 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl 1154367305 SAWKENUEAQLWQQ-UHFFFAOYSA-N 428.337 4.547 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1158741847 MNKFWACSTFBUHP-UHFFFAOYSA-N 426.513 4.879 30 10 IJEE C#C[C@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccc(F)cc1 1159134083 WUQHUAZVHDXVSU-NRFANRHFSA-N 447.897 4.899 30 10 IJEE C#C[C@@H](NC(=O)C(CC)(CC)CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 1159634905 TZCBYTQXMVRHEO-QGZVFWFLSA-N 437.378 4.571 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1160487878 IQDTZSIUBNVFFO-KRWDZBQOSA-N 446.960 4.580 30 10 IJEE C=CC[C@H]1CC[C@H](Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1206159425 MEJCJSBDVGROHF-SFTDATJTSA-N 429.605 4.775 30 10 IJEE CC1(C)[C@H](NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@@H]2CCO[C@H]21 1206776968 APYKCUWBOUCXNL-YNEHKIRRSA-N 428.348 4.911 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(OCCC)c(C(C)(C)C)c1 1211815234 FTDNAZCGQLIHRS-UHFFFAOYSA-N 435.586 4.625 30 10 IJEE C#CCOc1ccccc1NC(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 1216743885 OHQZUSJYWYZGAF-UHFFFAOYSA-N 430.504 4.820 30 10 IJEE C=C(C)Cn1c(SCC(=O)n2ccccc2=NC2CCCCC2)nnc1-c1ccco1 1264316545 RWRSLEJNJVGUBC-UHFFFAOYSA-N 437.569 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@@H](F)C1 1286282355 PFFZTXCTOOYSPA-KCQAQPDRSA-N 439.760 4.957 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H](C1CCCCC1)N(C)C 1286458338 QOODBPIIQOIZEQ-DEOSSOPVSA-N 439.623 4.766 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(F)(F)F)CC1 1286504328 QBCSWWMIFWFHPP-UHFFFAOYSA-N 447.530 4.962 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1286548417 BAEOPQOIAIWIPD-VELGLUOQSA-N 429.996 4.990 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](COCC)C1 1286633208 HZZCJUJLKWOFIA-CQSZACIVSA-N 445.778 4.779 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ncc(CC)s2)CC1 1286640218 HXIGGYKDQYAFQZ-UHFFFAOYSA-N 445.539 4.965 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCCO2)CC1 1286657208 VMAIPHSCWXKXNW-IBGZPJMESA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1286674559 GQLRPCRPSNXTJD-GOSISDBHSA-N 441.645 4.888 30 10 IJEE C=CCN(c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)C(C)C)C1CC1 1286733814 JKEIYZUPYAFBFL-UHFFFAOYSA-N 432.616 4.848 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1C 1286743285 DGGZMIANXHWETJ-CRAIPNDOSA-N 426.362 4.820 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCOC[C@@H]1C 1286750349 YREVJADTUUPFFN-AZUAARDMSA-N 440.588 4.935 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](SC)C(C)(C)C)C1 1286805835 UZPFKKWUJBXOBV-WOJBJXKFSA-N 430.618 4.513 30 10 IJEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1)N1CCC[C@@H](C)C1 1291104786 AQDZUCCKTFYNFK-HSALFYBXSA-N 432.572 4.728 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1 1293357959 BSXRCRFZMYDWKD-VQTJNVASSA-N 425.552 4.953 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(c2ccccc2)CC1 1300441315 KJCHLRMJCAKDKH-UHFFFAOYSA-N 427.371 4.570 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1300601628 JLVQIQMWLNSRHO-OHUGHZGNSA-N 441.595 4.527 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(OC)C1CC1 1300601928 LXXQIJJNGNVWDS-KOSHJBKYSA-N 445.007 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OCC)c1ccccc1 1300790848 XVEPWIBDNXLRDL-GBXCKJPGSA-N 435.959 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(F)c1 1300881288 NITXUDFHRCUVCR-AVRDEDQJSA-N 439.510 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[S@@](=O)C(C)(C)C 1300901532 ZURKNKWQOWMVHF-PLTNMMHCSA-N 446.661 4.985 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1301026819 AFCRRNGLZPQMSR-IBGZPJMESA-N 444.366 4.584 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1301095437 HQKDQQVJHMDIGE-AUSIDOKSSA-N 428.552 4.604 30 10 IJEE C=CC[C@@H](Cn1c(N(C)CC(C)(C)C)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301169036 ZJLKCZBGRXGJAQ-OFVILXPXSA-N 426.605 4.772 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1301170003 LHGSWDGZKZPYRK-GOSISDBHSA-N 444.649 4.737 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@]2(CCOC2)C1 1301176217 SPWBRCCNWFPDPH-OAQYLSRUSA-N 449.368 4.820 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@](C)(OC)CC1 1301177924 AJCNIADRKMMKHS-DEOSSOPVSA-N 428.577 4.714 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCSCC(F)(F)F 1301273984 ZNHXUIBSULTZLQ-ZDUSSCGKSA-N 434.915 4.989 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCCN1CCC(C)CC1 1301354540 CNTGQYJZVVWZSU-HSZRJFAPSA-N 441.595 4.583 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)C1 1320933032 SXFFOJLZPQQBFP-LJQANCHMSA-N 433.430 4.767 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 1350249360 BKFQGTOLRHPUKS-UHFFFAOYSA-N 439.895 4.537 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)cc(Br)c1F 1352522972 XCZUZAGWLHEPNO-UHFFFAOYSA-N 437.261 4.640 30 10 IJEE COc1ccccc1-c1ccc(C(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)c(O)n1 1353439461 HECUFHJZEBZIBR-UHFFFAOYSA-N 438.487 4.994 30 10 IJEE CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C#N)cc1)N(C)C 1355667815 HQOBWJYIAKOJJJ-QFIPXVFZSA-N 448.394 4.859 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCc1ccnc(C(C)(C)C)n1 1358885606 NERWDDZIQAXDRH-GOSISDBHSA-N 441.583 4.605 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1c(C)coc1C 1358987640 NNVMCBQENDKHTF-UHFFFAOYSA-N 432.593 4.997 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCc2cc(OC)ccc21 1359004568 BKVJBZUKLQMRPB-LJQANCHMSA-N 435.959 4.582 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCC2(C)C)CC1 1359032372 MJJSMLOIAZAFAN-KRWDZBQOSA-N 446.426 4.833 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccoc1 1359094081 WZDPRUBPTCSCRP-OXQOHEQNSA-N 430.911 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)c1ccco1 1359111581 GNNGYKBOFFYMOD-DEOSSOPVSA-N 433.512 4.503 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCSC2)CC1 1359174363 AUKTWFRKUJNVFN-HNNXBMFYSA-N 436.423 4.581 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1359182256 YSZZJBWTSCAOII-LJQANCHMSA-N 446.064 4.968 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359202092 IUZXXNHKMNYMMJ-PMACEKPBSA-N 434.588 4.875 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359210909 MMSPDIPEFZXZQM-UHFFFAOYSA-N 425.577 4.531 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(F)(F)F)C1 1359224914 HBWRTNJFSDDBRE-HNNXBMFYSA-N 428.886 4.970 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)s1 1359274694 WVSCOTZMSOONJA-HDICACEKSA-N 443.617 4.645 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@H]1C(C)C 1359275059 JHUBLUHDGOTRFK-VWNXMTODSA-N 431.584 4.636 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1359277246 GJSNFAYGERUCLZ-SQNIBIBYSA-N 438.494 4.904 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](OC)c2ccc(Cl)cc2)C1 1359324463 LLWBFVYSMNEGDO-FGZHOGPDSA-N 445.007 4.833 30 10 IJEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1ccc(C)cc1 1359347231 HCEQQPRDVIHYHT-FKBYEOEOSA-N 442.629 4.571 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)cn1 1359673513 DWOYTSBPPLEDTQ-LJQANCHMSA-N 447.612 4.510 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1435384126 HTTJPEVLPYQSPG-SFHVURJKSA-N 444.329 4.834 30 10 IJEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 1437268103 AJYYHDBTIMCGRK-QFIPXVFZSA-N 448.320 4.815 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccccc1 1439948479 APYJVNOCMITCDQ-KTBRYMIGSA-N 446.572 4.932 30 10 IJEE N#CC1(CC(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)CCCCC1 1456406954 BRPMNMBRCHDHPC-UHFFFAOYSA-N 432.311 4.838 30 10 IJEE C=CC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 1457632972 PDYMZKZOCVOLIP-UHFFFAOYSA-N 439.364 4.832 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)nnc1-c1ccc(Cl)cc1 1458673786 UZNHDMPBOZOROE-ZWKOTPCHSA-N 449.020 4.585 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(c3c(Cl)cccc3Cl)CCC2)c1 1467740090 UHBPZHQBDGURCE-UHFFFAOYSA-N 436.360 4.600 30 10 IJEE C#C[C@H](NC(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)c1ccc(Cl)cc1F 1467935310 PHBVAZRJADFRAP-ABAIWWIYSA-N 437.924 4.626 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](CO)c2c(F)cccc2F)cc1OCC 1473998622 DYYYHYSWEHGWFF-QGZVFWFLSA-N 442.300 4.514 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 1476446695 RQGKKPBXOPDWRQ-QGZVFWFLSA-N 430.348 4.820 30 10 IJEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CCO1 1497615812 FDVIQRWVIFBPAN-NRFANRHFSA-N 427.961 4.585 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)CC)CC1 1499441661 FKWSTKAUPHLAHX-FYYLOGMGSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(CC)CC1 1507594410 FOQVSNLKTAUKAR-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@@H]1C 1507664433 RLJACHMWKKFNGR-PXNSSMCTSA-N 439.401 4.915 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](OCCOC)C1 1507827321 HYPKDOHTDOIEIP-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1507853283 DDIPTLJWNPHPKG-KSSFIOAISA-N 436.387 4.629 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncnn1C(C)(C)C 1507928964 LOFCZWDYWLNGTM-UHFFFAOYSA-N 442.999 4.571 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 1507932803 ZWAWACKXXDQIKX-UHFFFAOYSA-N 425.474 4.515 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(C)cs2)cc1 1508106799 WVXHNCXJNNXFBD-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE CC(C)c1csc(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)n1 1508415065 BLWUYPATQIMKIA-INIZCTEOSA-N 431.569 4.717 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC1CCCC1 1510265792 GLMQJOFRZTWCNG-UWJYYQICSA-N 443.979 4.771 30 10 IJEE N#Cc1cc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)ccc1OC(F)(F)F 1524655877 AWXDFMLIIRXGHI-UHFFFAOYSA-N 425.366 4.706 30 10 IJEE COc1ccccc1[C@@H](CC(C)C)NC(=O)COc1cccc(Br)c1C#N 1525089955 HGYDSJCKDMSXLL-GOSISDBHSA-N 431.330 4.612 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(OC3CCC(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1530748265 UWDAFYPMMWTUMM-OZTQUORISA-N 434.621 4.919 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)c1ccccc1 1537452868 LXXLSTMACFQECK-WJOKGBTCSA-N 432.545 4.778 30 10 IJEE C#CCCCCCC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1537829425 IZMYVVAHLGEZKF-UHFFFAOYSA-N 443.341 4.649 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1538892608 SNWXVVIGLFKKHT-LJQANCHMSA-N 447.000 4.732 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1538992174 MKRBERPERGHBHP-IRXDYDNUSA-N 432.515 4.636 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 1539119882 OHCLOCZHTZJDMY-GOSISDBHSA-N 443.617 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1OCCC1(C)C 1539656579 YHYNXIZVPWWPFH-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(OC)CC1 1539731122 YMOBXBFAWOHAMV-CYFREDJKSA-N 446.567 4.545 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCN(CC)C(C)C)CC1 1539884489 LJIMIPDPMIGQHE-UHFFFAOYSA-N 434.588 4.733 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1539892200 UWYKQQQVFDVZFA-VXKWHMMOSA-N 435.660 4.948 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCn2ccnc21 1540155101 LMCLDBLRSAMGAA-RTBURBONSA-N 436.535 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC1CCN(CC(F)(F)F)CC1 1540162011 JXRBSPINFMYRAW-UHFFFAOYSA-N 433.522 4.706 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2C[C@H](F)c2ccc(Br)cc2)C1 1540882926 QPENFDVDVBFRNW-ROUUACIJSA-N 437.357 4.656 30 10 IJEE N#Cc1n[nH]cc1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1543038239 HAGPVMKUKJGUJN-UHFFFAOYSA-N 434.297 4.763 30 10 IJEE C=C(CCN(C)C)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1546069540 OXBWTEOPFSZMDI-ZDUSSCGKSA-N 436.318 4.952 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCC(F)(F)F)Cc3ccccc3)n[nH]2)c1C 1556203558 QWOAMOSWCQOKTK-UHFFFAOYSA-N 431.462 4.671 30 10 IJEE C#CCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CC1 1556660138 GHSLKJORNDYXBO-BVZFJXPGSA-N 430.548 4.564 30 10 IJEE CC[C@@H]1CCc2nc(O)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)cc2C1 1557130793 ZLLPNLFAJPKUNP-HUUCEWRRSA-N 431.458 4.875 30 10 IJEE C=CCOc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c1 1561414442 VNFFYNSWWNQRKX-UHFFFAOYSA-N 436.249 4.834 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)cc1 1562197956 XXZUKLBLPVBZPP-REWPJTCUSA-N 441.597 4.589 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)cc(OC)c1OC 1562525696 LRFAPOBPNTZRAK-UHFFFAOYSA-N 434.540 4.865 30 10 IJEE C=C(C)CONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 1583434726 FQHICTOGQDMDSB-UHFFFAOYSA-N 429.373 4.624 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1)c1ccccc1 1583624935 IGLXXYNUFGELQF-JOCHJYFZSA-N 430.552 4.971 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 1583735875 HZUPCDFFLMKIPA-JOCHJYFZSA-N 425.532 4.993 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1584864104 QGALTUMGBZWOFB-HSZRJFAPSA-N 448.588 4.737 30 10 IJEE C#Cc1cncc(C(=O)Nc2sc(Br)cc2C(=O)c2ccc(C)cc2)c1 1586796875 XSTXPXFHTRRSLL-UHFFFAOYSA-N 425.307 4.679 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1589006760 IDCNGPWLQHJDJA-RTWAWAEBSA-N 438.597 4.698 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(C)C 1593704457 WRGIWSDZRKUEBZ-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(N(C)C)cc2)CC1 1594134238 MXYAEPNWRQKALA-DHIUTWEWSA-N 437.632 4.662 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1OC)C1CC1 1595026791 RYWVKGKMVQGTTP-VQIMIIECSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1CC1 1595058387 KOBITDZQDYXVFZ-LJQANCHMSA-N 443.636 4.811 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)Cc1ccc(Br)o1 1595367032 WNZJNZGBIGLWKC-UHFFFAOYSA-N 447.333 4.530 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cc1 1595613735 HISZLGJFGUPKEN-VWLOTQADSA-N 426.605 4.731 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2N(C)CCCC2(C)C)C1 1595706878 QTCMFYVOWMYZRB-GHTZIAJQSA-N 444.023 4.500 30 10 IJEE COc1ccc([C@@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C)c1OC 1595973062 FWRDKLYBAIXHCN-GOSISDBHSA-N 430.504 4.954 30 10 IJEE C=CCC(CC=C)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)OC(C)(C)C 1598441622 CNEIOXXOCBXAOV-IBGZPJMESA-N 442.556 4.950 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2sc(C(=O)OC)cc2c1 1603122059 DBQSPAUTVMLDCT-MRXNPFEDSA-N 432.542 4.876 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)C(C)C 1615883937 JYZYIJDCRKNCMW-QFIPXVFZSA-N 436.556 4.836 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)c1ccccc1 1618597230 KWAAMEDZBYJQDH-WJOKGBTCSA-N 435.593 4.648 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 1618673686 OGFVGDLHUMGLKD-TZIWHRDSSA-N 438.572 4.587 30 10 IJEE N#Cc1c(F)cccc1S(=O)(=O)NC1(c2ccc(Br)cc2)CCCCC1 1622346368 AADIRRJXGCCMOF-UHFFFAOYSA-N 437.334 4.598 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 1622954850 WUTVIVAJMQCKND-SFHVURJKSA-N 448.363 4.842 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)NCC1(c2cccc(F)c2)CCCCC1 1625515893 HYHNZFPGSAORDV-UHFFFAOYSA-N 445.332 4.857 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCC[C@H]3COC(=O)NC3CCCCC3)cc21 1627746244 DIYQJOOZJVRIHD-NRFANRHFSA-N 439.560 4.668 30 10 IJEE C=CC1(CC(=O)N(CCc2ccc(OC)cc2)CC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1627934829 RRIAGCPLTFCCLQ-UHFFFAOYSA-N 444.616 4.926 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)c1 1631999225 DSNACZWZPUONRT-QHCPKHFHSA-N 426.582 4.592 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(C(F)(F)F)n1 1635413220 QYMMVNGRFNYIFO-UHFFFAOYSA-N 446.242 4.900 30 10 IJEE C#Cc1ccc(CNC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 1635835214 DSBXLUJTBJCBKC-UHFFFAOYSA-N 445.569 4.595 30 10 IJEE C=C[C@@H](C(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1636483884 ZKANJRWBYBOSMP-SJLPKXTDSA-N 426.563 4.696 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)C(=O)OCC 1636822548 QTUSHOQDZQGVAH-NRFANRHFSA-N 434.540 4.615 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1OCCC(C)(C)C 1637220002 DCXZHODTWWVFQH-KRWDZBQOSA-N 439.984 4.549 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]2(C)Cc2cccc3ccccc23)cc1 1641129718 UBVBCBFHNDMMTB-AREMUKBSSA-N 448.588 4.542 30 10 IJEE C#CCN(C(=O)[C@@H](CC)Oc1ccccc1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1644790285 UODGIQGMUIEGGU-JOCHJYFZSA-N 442.600 4.829 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCC(F)(F)C1 1649604940 BHAXCGTURLOLLI-MBSDFSHPSA-N 443.542 4.985 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 1650814489 HZQIQCSIYKGSDH-UHFFFAOYSA-N 435.365 4.805 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(c2ccc(Br)cc2)C2CC2)cc1C 1653634681 FVTKPSLIAYICEQ-UHFFFAOYSA-N 426.358 4.982 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)C1(CO)CCCC1 1653814612 DSSZWRYQSQONKB-NTKDMRAZSA-N 437.609 4.903 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2c(Cl)cccc2N2CCOCC2)cc1 1658083899 SPLBJBYIPKMTTI-UHFFFAOYSA-N 425.960 4.603 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 1662323578 LPMCUHAKKFPLAI-MRXNPFEDSA-N 432.261 4.511 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 1665838865 ARYHJCMEHISXPI-MRXNPFEDSA-N 433.430 4.508 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccc(F)cc1 1669360271 PGENLJXHVQGKPI-GFCCVEGCSA-N 437.117 4.548 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(F)cc1I)c1ccc(Cl)cc1F 1669629433 BBVJPRLPNOQIDO-CQSZACIVSA-N 446.622 4.719 30 10 IJEE N#CCOc1ccc(NC(=O)Nc2cc(Br)ccc2OC(F)(F)F)cc1 1671147998 ATRMWJZJPGKWAG-UHFFFAOYSA-N 430.180 4.894 30 10 IJEE COc1ccc(NC(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)cc1C#N 1673850027 BBIANWXZERNZMA-UHFFFAOYSA-N 435.524 4.934 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@@H](OC)C1(CC)CC 1685832629 BXMPDBUQZGJAIX-ZWKOTPCHSA-N 427.358 4.880 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cn1)c1ccc(Cl)cc1F 1686922812 QSDJDGOOWXEETP-AEFFLSMTSA-N 436.712 4.858 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCN1CCCC1 1690060722 GLRWWVLKPQRCDV-UHFFFAOYSA-N 428.005 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1690238176 GDZMAJQABQAVCV-MRSOFBGISA-N 428.552 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1690264065 OMUULXICWHTVII-QUCCMNQESA-N 431.625 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](c1cccnc1)C(C)C 1690268269 DHYDRMNMGAUXSM-QHCPKHFHSA-N 443.599 4.754 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690382572 UFKIOMQVRISRKY-RBBKRZOGSA-N 438.616 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690424583 TUNYYERWNBUXRC-JOCHJYFZSA-N 432.616 4.731 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1690521652 DLAVLPKCPHFSTQ-UWJYYQICSA-N 425.577 4.851 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC1(N(C)C)CCCC1)C1CC1 1690538185 CPBLMDJSGIHLFM-UHFFFAOYSA-N 444.421 4.737 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1C[C@H]1C 1690604024 MTFVYLWZBPPFTE-UXHICEINSA-N 433.556 4.631 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@H](CC)C1 1690682762 YLOZCHLWPZLIBS-HXUWFJFHSA-N 435.597 4.593 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](CC)C1 1690736427 DMXRQZWYOAJJNT-AEFFLSMTSA-N 432.659 4.666 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(CN2CCCCC2)cc1 1691137023 GFUKNYDBQLETMO-UHFFFAOYSA-N 434.632 4.641 30 10 IJEE CCC[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1695047970 IDZCPGVEYHWQTO-FGZHOGPDSA-N 448.036 4.905 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCCN1CCC(C)CC1 1705619098 HLHUSCMJEPBKCU-OAQYLSRUSA-N 425.596 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705677326 KPGFIHHTWFLQEQ-PCGJDWNTSA-N 449.643 4.586 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1705758960 GWZLQAVGPWDOLG-HXUWFJFHSA-N 446.064 4.944 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(=C)Cl)CC1 1705784963 QFEBJGGBQVORCV-UHFFFAOYSA-N 437.769 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)C1 1705789274 FJHQBMIDKIXYTQ-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1705795177 DSMTXDJFICNILR-AZUAARDMSA-N 435.538 4.836 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1705798497 SYCJHTNRHJCCPR-DEOSSOPVSA-N 444.627 4.544 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](OCC=C)C1 1705801699 NQDGGPSDGAFSQF-IBGZPJMESA-N 431.378 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC)Oc1cccc(F)c1 1705836562 XIVMTAKZPHEFGU-INIZCTEOSA-N 448.340 4.655 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCOCC1)C(C)C 1705867190 JFLZVRMXOKYEDS-JOCHJYFZSA-N 444.023 4.524 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1Cc1sc(C)nc1C 1705880886 SYMPKDZZPWERFZ-UHFFFAOYSA-N 449.580 4.903 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705890260 GVSNLCJOAUEDHM-XUVXKRRUSA-N 429.609 4.595 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCN(c3cccs3)CC2)nnc1C(C)(C)C 1705916089 YRMCOTNKTXQXLX-UHFFFAOYSA-N 437.613 4.577 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1722312646 HNTBTOIWOWUNBX-QHCPKHFHSA-N 449.986 4.747 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722327466 LPNBYOMKCLDHSV-NFBKMPQASA-N 448.533 4.763 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](C)c1ccc(OC)cc1 1722416782 SMTYMPFKWRUBQJ-WWPVKYPJSA-N 438.616 4.859 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1722430400 DOGAWQJYSHMSCQ-IBGZPJMESA-N 431.437 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(SC)CCOCC1 1722502751 VYQCLNIFKDMQSP-GOSISDBHSA-N 448.608 4.872 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCCN(C)C(C)C 1722512556 GFWMKWREKRQVFW-UHFFFAOYSA-N 434.426 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(OC)CC1 1722545994 DPCBGJGATPHBHT-IBGZPJMESA-N 439.785 4.856 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722570401 ZXVGNALWEQRJMA-INIZCTEOSA-N 440.947 4.804 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1722594605 AOPHUVCVIDPIKH-RTBURBONSA-N 432.572 4.850 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1Cc1ccc(C#N)o1 1722654876 XUDWQRVQCNEBTF-UHFFFAOYSA-N 431.540 4.725 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCC2)C1 1722721928 KHMIHQVGABJLMU-SFHVURJKSA-N 428.602 4.551 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2csc(C(C)(C)C)n2)cc1 1730045547 HJCASKJNDJLPST-INIZCTEOSA-N 438.601 4.689 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1c(C)nn(C)c1C 1740569487 DHZRLGFWCSOOCZ-UHFFFAOYSA-N 428.943 4.528 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1740580638 FCXHUUHNNLNFSU-LPHOPBHVSA-N 431.378 4.545 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C(CC)CC)N(C)C 1740603379 QOYAZPUFESPGAX-YLJYHZDGSA-N 427.662 4.567 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1c(C)noc1C 1740613549 MAEGVMCEFICONR-QGZVFWFLSA-N 435.572 4.633 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CC[C@@](C)(CC)O1 1740633286 CFLGZONTWSWFHF-NBGIEHNGSA-N 436.625 4.696 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCC(C)(C)C1CC1 1740634199 AJILHROKUNNDKJ-UHFFFAOYSA-N 443.364 4.746 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCSC1(C)C 1740666110 CIRYMJZGGICICT-OAHLLOKOSA-N 433.419 4.699 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1740746002 BPUQHFWEUADKQF-SFHVURJKSA-N 442.361 4.669 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CCC1CCOCC1 1740780199 KAMWLTRDRQBXKX-UHFFFAOYSA-N 436.556 4.946 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1740783734 RZVKCIMMYZNAAI-HXUWFJFHSA-N 432.996 4.689 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1740820879 VKWHIGZUVRQWRI-UHFFFAOYSA-N 431.968 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1740842461 ALWCYFDZGAAKGI-UHFFFAOYSA-N 449.521 4.772 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCCC(C)(C)C1 1740904055 VSNPYQCGSWQDKR-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(c1nnc(C(C)(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1CC1 1740907147 RAZSOVRGNRTCJA-GOSISDBHSA-N 429.609 4.520 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1740914052 ZXPNIJOXYXGZLA-WZONZLPQSA-N 428.552 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(Cl)cn1 1740921724 GPYWKKVJBKAGQW-UHFFFAOYSA-N 449.971 4.621 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc2ccccc2o1 1741135749 BMGGORIUQBKBRX-UCNVEGJOSA-N 435.572 4.781 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H](C)CCSC 1748738548 HUKPNZRCLWFOOK-AWEZNQCLSA-N 439.398 4.838 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@H](CC)C1 1748740834 YSNYFAYHOQQOLX-QGZVFWFLSA-N 433.419 4.761 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCC1=CCCCC1 1748946927 UVLYFESAPZGCED-UHFFFAOYSA-N 429.543 4.933 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](C)C2)CC1 1749316357 FVPHETYYZMCKNM-ZGXWSNOMSA-N 429.609 4.641 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1749402002 HLAWZKZRDTZFPL-MOPGFXCFSA-N 430.980 4.840 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F 1749451705 DHVGWJHXEOHENQ-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1749467444 PHODZTFGPWKKNG-HDICACEKSA-N 446.437 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)C(C)C 1749553106 NNCGUMLTERTQGH-RUZDIDTESA-N 449.624 4.942 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCN(C(C)C)C1 1749564356 VGYSCXWFRPLTKF-IBGZPJMESA-N 444.023 4.906 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1749752448 QETUPVNBAAMYJX-NRFANRHFSA-N 435.597 4.616 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCS2)c1C 1751317315 COWKPRYJPPWYBG-AZUAARDMSA-N 425.602 4.671 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCC2)C1 1760406653 JCEQJXQSAWJCTL-GOSISDBHSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2C[C@H]1CO2 1760409221 NQAUDKSVENEHKA-HOTGVXAUSA-N 449.368 4.817 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@H]1CCCOC1 1760415293 UEWSSYNEVAFSIQ-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1760424201 ZUDOCYNRCKNGGL-HSZRJFAPSA-N 430.980 4.970 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H]1CCOC1)C1CC1 1760469806 PECTYFAVNILJGN-INIZCTEOSA-N 431.378 4.597 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCC1)C1CC1 1760475270 APIXLHPXUSCWRY-UHFFFAOYSA-N 432.037 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1cnn(Cc2ccccc2)c1 1760484239 RSRRWNDKRZJWNB-UHFFFAOYSA-N 432.597 4.949 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CSCCS1 1761077669 FGWCRFBGAFMCPE-HXUWFJFHSA-N 447.649 4.623 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CCC)CCC1 1772563770 DEZORSHDEZGKPH-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE Cc1ccc(-c2ncc(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)s2)cc1 1859742189 VFXWGPGGKTVFDV-UHFFFAOYSA-N 436.500 4.976 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1cccc(Br)c1 1860731385 NFZPOAGXEXFCCO-FNORWQNLSA-N 427.067 4.572 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862412154 XWJLXHNJGDENIV-NRFANRHFSA-N 439.389 4.588 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862438271 KIZKJQSZTWLMDX-QGZVFWFLSA-N 436.291 4.696 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)c1 1862446990 FZEAZIAWOZALMY-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862539940 CFAMFLYACVVAAW-IBGZPJMESA-N 429.900 4.605 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cc(OC)c(O)c(OC)c1 1862656727 MJMRPULVPLRZOF-QFIPXVFZSA-N 447.487 4.551 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675629 PQFDZUPYLINBJG-LJQANCHMSA-N 429.419 4.944 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678518 RVVNPSSWNOIITM-HSZRJFAPSA-N 433.479 4.720 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Br)cc1 1862709668 AVTJEKSKEDUHNO-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862748567 FBJWPDXFOPXAQO-OAQYLSRUSA-N 448.500 4.997 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)c(C)c2)C1=O 1862877502 RVEHOJGLXDSVRQ-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1 1863068665 UNWNVPAFIUXPKX-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE Cc1cc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863092689 CDEGPXIQSZZTRC-UHFFFAOYSA-N 448.457 4.951 30 10 IJEE COC(=O)c1c(NC(=O)c2ccc(OCC#N)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1865939666 HMOYWBSYVGRCLE-OAHLLOKOSA-N 426.538 4.840 30 10 IJEE CCCOc1cn(Cc2cccnc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180932 ZMTZRDWGVWIIOL-UHFFFAOYSA-N 434.565 4.565 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870835863 AFIXPUMHOMVTTP-UHFFFAOYSA-N 448.571 4.652 30 10 IJEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)C1 1871355520 CTPRZBJYUWHORO-UCQKPKSFSA-N 437.536 4.979 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551081 IDOMQNAGDIFVAE-UHFFFAOYSA-N 449.441 4.840 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1872299035 VERZIJCQDGBLFO-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1872605567 YZOAJGLGTFWNRI-IBGZPJMESA-N 437.433 4.917 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872780235 DAUUOCKDVHFYIG-GOSISDBHSA-N 436.533 4.872 30 10 IJEE CCCCCCCCCCN1C[C@H](C(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1=O 1873011664 FQZXTEUGMULTBK-JOCHJYFZSA-N 444.616 4.578 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2ccccc2C(=O)OCC)=C(c2cccnc2)C1=O 1873268840 IDJLEGLMVSHMSD-UHFFFAOYSA-N 449.551 4.811 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCCCN(CC)CC)ncnc21 1873626398 XWDDVKYLAJBDTA-UHFFFAOYSA-N 434.588 4.630 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)cc1 1874445027 QRRVKYNQCAAOKZ-LSCMLXDISA-N 425.533 4.509 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 1874451451 ZRNQSABRNSCLKS-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c(OC)c1 1874464548 PDQFZFRYMQNPKR-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)(C)C)c1 1874485867 QCONWHGSCQGPAA-BIKZULFDSA-N 435.597 4.736 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1cnnc1SCC(=O)Nc1ccc(C)c(C)c1 1874534713 XBXNLHZDPWGFKY-LGJNPRDNSA-N 445.548 4.670 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1cccnc1 1874540954 ZRAZKTYKYYTQRW-YDZHTSKRSA-N 436.368 4.986 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1/N=C/c1ccc(Cl)c(Cl)c1 1874567987 BNHPWTRFQKKXEH-SSDVNMTOSA-N 435.336 4.900 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC(=O)NCCC 1874627301 IRTZRGKMCODBKK-JXMROGBWSA-N 429.463 4.503 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)cc1OC 1874694018 IGBMMAUHMYQKTE-ACCUITESSA-N 432.472 4.722 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)C3CCC3)c2)cc1Cl 1874711654 GMKUVJFXFZOSQX-VQHVLOKHSA-N 430.884 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cnc(C)cn3)c2)cc1Cl 1874716811 KSYIRVRVVRFWRS-QPJJXVBHSA-N 438.867 4.571 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)[C@H]1CCCO1 1875159943 SFKQBLMRKGFPIT-CHHNCHTKSA-N 449.272 4.577 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)CC(C)(C)C 1875194874 CVYUMMMRONYAAJ-DHZHZOJOSA-N 442.508 4.959 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1c1ccc(C#N)cc1 1890994739 HYWKFRRZMQFPTM-VQTJNVASSA-N 448.375 4.897 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)cc1F 1895030916 YLIRKHHZOFQRCA-SJORKVTESA-N 431.321 4.685 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 1903084190 RGRBDUAFJPBXMA-LIRRHRJNSA-N 433.471 4.634 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)ccc2C#N)C(F)(F)CC1 1965668679 UMRGYBJMAXFONZ-OAHLLOKOSA-N 430.293 4.767 30 10 IJEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCC1 1984724659 TWZYWBYANUNJEZ-SANMLTNESA-N 444.575 4.954 30 10 IJEE CC(C)(C)OC(=O)NCC1CC2(C1)CC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2 2000797092 STMOQFQXRVOFHD-UHFFFAOYSA-N 447.498 4.763 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2002377509 HXHFKBAUVRFICE-GJZUVCINSA-N 428.617 4.858 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1c(F)cccc1Cl)c1cccnc1 2033813249 MFAYFJMVLYRBIE-GOSISDBHSA-N 428.872 4.714 30 10 IJEE CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]21C 2053578003 GUERPVMWCQXYEU-KGZWKRKDSA-N 444.656 4.820 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(F)c1 2080077120 ABINMZLBPGRVPY-CYBMUJFWSA-N 436.203 4.620 30 10 IJEE COc1cc(-n2nc(C3CCCCC3)c(C#N)c2Br)nc(C(F)(F)F)c1 2080306153 IQVMSXTXCCZKLK-UHFFFAOYSA-N 429.240 4.977 30 10 IJEE CCN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2174811148 USCYEBPNAZRPSI-CXAGYDPISA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@H]2CNCC[C@@H]21 2233794402 JSNWPLQWYCEICZ-QYWGDWMGSA-N 434.378 4.863 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 2235721113 QINLKAIEQSOHPE-WOJBJXKFSA-N 429.358 4.655 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2235727752 KNSWSCAIBRGVIM-OALUTQOASA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCCCN1C(=O)OC(C)(C)C 2235728454 MHRMETZYEMEWFH-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C1CC1 2235745722 DZOAOHPPCMWJOM-RBUKOAKNSA-N 435.406 4.718 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267100248 RVFYUQVOOALAQZ-KJKGYJNUSA-N 438.421 4.513 30 10 IJEE Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2267574754 ZOVRQHWUAJMFNU-UHFFFAOYSA-N 444.381 4.831 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C#Cc1ccc(Br)cc1 2296266230 FSZUZCLIBZYKNV-PGRDOPGGSA-N 436.390 4.835 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2296283466 HFDLTVQHAVSROH-IYWMVGAKSA-N 433.390 4.567 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)C(C)C 2296310049 DOZJEJYEVDZCMH-WOJBJXKFSA-N 437.422 4.966 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2296311392 WPRRCUYTQUGLAG-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21 2296867530 VRTZYLGSBPUDRT-UHFFFAOYSA-N 427.456 4.801 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)c2ccccc21 2296871945 NKHDKWNKXMSYJM-UHFFFAOYSA-N 439.467 4.917 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2OCCOc2ccc(OC)cc2)SC1=S 2297335695 XMBMUSLKNXRFIB-UHFFFAOYSA-N 427.547 4.540 30 10 IJEE COc1cc(C=C2SC(=Nc3ccccc3)N(C3CCCC3)C2=O)cc([N+](=O)[O-])c1O 2297616338 DLPPVOXNNQLABK-UHFFFAOYSA-N 439.493 4.856 30 10 IJEE C=CCN1C(=O)C(=O)C(=C(O)c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 2297745518 KYIHVQZQRJWKQA-KRWDZBQOSA-N 432.701 4.710 30 10 IJEE CCC[C@@H](CS)COCc1cc(I)ccc1Br 2302771361 ABQYENRKZHLUBP-SNVBAGLBSA-N 429.161 4.916 30 10 IJEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccco2)C4=O)cc1OC 2322260262 GPJWGAUHEZTRRZ-OAHLLOKOSA-N 433.460 4.826 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CO2 2322436472 JRWRYWOBBIZXPV-YVXWMLCYSA-N 443.543 4.847 30 10 IJEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2323039046 VUFXEUSSENHTHH-UHFFFAOYSA-N 441.650 4.616 30 10 IJEE Cc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323081235 AQDHDQUFCLZBMV-UHFFFAOYSA-N 428.440 4.878 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)OC)c2)cc1OCCC 2323117163 KJMMHHISSPQXCU-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)CC(C)C)cc(C)c2C1=O 2323767425 UJQKXVVMBABWSO-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1 2325707447 VBGHYUPYLZBNSC-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325731022 JSSFEMLRRAQFEC-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OCC)c1O 2326681554 XWNPAKWBHSZIPZ-UHFFFAOYSA-N 435.553 4.771 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2327760042 KCWFINSIAQTAEA-XZOQPEGZSA-N 444.616 4.544 30 10 IJEE Cc1ccccc1CCc1nnc(SCCCO)n1N=Cc1cccc2ccccc12 2329510483 HUOFWWJLEUSQBO-UHFFFAOYSA-N 430.577 4.882 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1cccc(OC)c1OCCC 2330408101 ILCAHRDWSWNNKJ-UHFFFAOYSA-N 428.583 4.888 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc(Cl)c1 2331436468 XEDISDBVIYUSQY-UHFFFAOYSA-N 445.951 4.882 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1c[nH]c2ccccc12 2331467336 DYNGIUKGUZOFJD-UHFFFAOYSA-N 440.617 4.581 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C1CCC1 2331543420 POPNRUMZPMJXEX-SFHVURJKSA-N 433.581 4.706 30 10 IJEE Cc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(OCc3ccccc3)cc2)cc1 2332188980 UAVYBYGBDMXCRO-UHFFFAOYSA-N 435.487 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339543656 UQOOCFOEYZPWNF-MOPGFXCFSA-N 443.397 4.832 30 10 IJEE CC[C@@]1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339597820 UKYYODTZTGTUSA-XMMPIXPASA-N 444.381 4.895 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339600258 QXFVVGPUFMIVTB-KICKTSRDSA-N 444.381 4.751 30 10 IJEE Cc1cc(COCc2ccc(I)c(Br)c2)ccc1C#N 2377641040 AVWOJERZTLDACF-UHFFFAOYSA-N 442.094 4.951 30 10 IJEE CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)NC[C@@H]1CCCO1 22691078 LPKRVFIOELEUNZ-INIZCTEOSA-O 438.400 4.551 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 33414407 RQDPDDWHELXZBW-SYKNXGGPSA-N 426.428 4.777 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 38592615 NEBMRSIZIMPARD-RDPSFJRHSA-N 445.515 4.699 30 10 IJEE C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCCOc2ccccc2)c(OC)c1 66132679 ZZSMHHOTGHZRDW-RUZDIDTESA-N 430.504 4.906 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1ccc(OC)cc1 100197770 URCWLYBZBDRWMN-YQMDHOPXSA-N 431.945 4.637 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCCC)cc2)S/C1=N/c1ccc(F)cc1 104220586 LHOQCAABFFVFRQ-FXFSXJFASA-N 441.528 4.761 30 10 IJEE CCOc1ccc(/N=C2\NC(=O)S\C2=C\c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)cc1 110568005 ALDBHRXMDHKQPK-WOJGMQOQSA-N 435.465 4.911 30 10 IJEE COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OCc1ccccc1 169938265 ZANHIIRQUZVYNZ-DEOSSOPVSA-N 444.556 4.950 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccnc1 170009549 XYZWOSNBSCMTOW-NRFANRHFSA-N 448.862 4.555 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)c1 170200292 KQQJFJMXOQQYTO-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OCC)c(OC)c1 170216408 FEUMNTQPJTXLKN-JOCHJYFZSA-N 435.476 4.828 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1ccccc1F 170253134 HLAPGECSIBKWGB-NRFANRHFSA-N 427.472 4.611 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2C)ccc1OC(C)C 170273796 MCXCVWLMEYCZCW-GBXCKJPGSA-N 449.547 4.848 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccco2)cc1C(C)(C)C 170280576 MORDBXDESHAQKI-OAQYLSRUSA-N 441.524 4.589 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2sccc2C)cc1C 170316991 CHMVYYWAYWLLKO-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(OC(C)C)cc1 170335438 CVQNQJJTHFZMCD-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cn(C)c3ccccc23)cc1 170395176 WEUAXJRGHBIQEX-JOCHJYFZSA-N 428.444 4.563 30 10 IJEE O=C1N/C(=N\N=Cc2ccc(Cl)cc2)S[C@@H]1Cc1ccc(SC(F)F)cc1 245265016 FPPYOTMLMPYRQM-OAHLLOKOSA-N 425.913 4.819 30 10 IJEE Oc1c(Br)cc(C=NNc2nc3ccccc3s2)cc1Br 252605818 GMVKDPOJUGMWTJ-UHFFFAOYSA-N 427.121 4.973 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCCC 406715315 SSNGCWRJRYCOMT-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)cc1F 437464947 CYMSANOPXNPIRZ-WOJBJXKFSA-N 435.499 4.857 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1c1cnn(C)c1 460382158 BPCDTUNGXXOEJN-SFHVURJKSA-N 447.370 4.815 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)c1 487904991 DDMWCMUNCONRMG-QFIPXVFZSA-N 431.580 4.865 30 10 IJEE CC1(C#N)CCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)CC1 507824286 IUNVGPLYDJTBOH-UHFFFAOYSA-N 444.304 4.606 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 520258578 WTBGTURVHSMMMX-UHFFFAOYSA-N 429.568 4.609 30 10 IJEE CCN(C1=C(Sc2ccccc2)C(=O)N(c2cccc(C#N)c2)C1=O)c1ccccc1 526680242 IXANDAYRUAWPSP-UHFFFAOYSA-N 425.513 4.962 30 10 IJEE COc1ccc(Br)cc1/C=N\n1c(C)nnc1SCc1ccccc1F 526803010 QSUBGIJBABZDMX-FBHDLOMBSA-N 435.322 4.671 30 10 IJEE N#Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(I)cc2)ccc1F 536059430 PJFBXPOOIRUHOF-KRWDZBQOSA-N 435.240 4.671 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549263262 WNZLYCAJUMQYMS-HXUWFJFHSA-N 425.964 4.727 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 581278975 FYEGTXROGBWSAO-APTRMMRNSA-N 432.568 4.785 30 10 IJEE Cc1ccc(C(=O)NC2CCC(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 586506568 KNQMNLQVYYIQGZ-UHFFFAOYSA-N 429.582 4.739 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2cccs2)CC1)c1ccc(Cl)c(Cl)c1 586508874 TWZAKJMRFGBZQQ-UHFFFAOYSA-N 434.366 4.501 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 670232396 RAHUMYBOIXHNKS-SFHVURJKSA-N 443.507 4.775 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)C1(C#N)CCN(C(=O)OCc2ccccc2)CC1 698815290 LPLAUXCMWZGCGH-UHFFFAOYSA-N 427.545 4.861 30 10 IJEE Cc1ccc(CNc2cc(I)ccc2Br)cc1C#N 701828444 WMXAGQJXLMTIRA-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CC(=O)N(C)c1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 745977538 XHEVKANTUPUVLJ-UHFFFAOYSA-N 426.108 4.651 30 10 IJEE C#CCOc1ccccc1-c1noc(Cn2c(-c3scnc3C)nc3ccccc32)n1 761997161 ZWSUNZBEWWMSRQ-UHFFFAOYSA-N 427.489 4.579 30 10 IJEE N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cc(Oc2cccc(Br)c2)ccn1 762066627 AGIASZYUDNXMHQ-GOSISDBHSA-N 436.265 4.598 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 779493149 CFFTWUTUBGEJDO-UHFFFAOYSA-N 440.500 4.840 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 787063015 VLOOASVLZCFSBC-OAQYLSRUSA-N 449.850 4.679 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 818857065 LDGABXBILMZFHB-WOJBJXKFSA-N 444.572 4.512 30 10 IJEE C=C(C)[C@@H](O)CC[C@]1(C)C=Cc2c(cc(OC)c(C(=O)/C=C/c3ccc(O)cc3)c2O)O1 1077991937 UXOHDTSKWKSNCQ-SDVNCEFNSA-N 436.504 4.884 30 10 IJEE biogenic C=CCN(C(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1)c1nc(-c2ccccc2)cs1 1124413305 GWOWWKVQPPRMNO-JOCHJYFZSA-N 449.532 4.540 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1125613382 ZOVKDOGHILTXPC-XLIONFOSSA-N 430.545 4.784 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2ccc(I)cc2)C(F)(F)F)cc1 1128968320 JMAYSBSYGDZXBR-QGZVFWFLSA-N 444.190 4.662 30 10 IJEE C=CC1(CC(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1137719084 SRSWQFSJBKSIQR-YADHBBJMSA-N 442.600 4.695 30 10 IJEE C=CCn1c(SCC(=O)N2CC(Cc3cccs3)C2)nnc1-c1ccc(Cl)cc1 1150568249 QRRLUXFZAJRRTL-UHFFFAOYSA-N 445.013 4.639 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCOc1ccc2ccccc2c1 1150585166 RPUNZPSGECCFDQ-FQEVSTJZSA-N 432.948 4.761 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 1151866581 DWDWBPQBALKSPH-JOCHJYFZSA-N 432.486 4.975 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 1165768758 KTIFZPLNUQMMMZ-NRFANRHFSA-N 436.581 4.885 30 10 IJEE C=CCOc1ccc(CNc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1OC 1178361458 VQMYYIUUGOQLOS-UHFFFAOYSA-N 425.529 4.560 30 10 IJEE C=C(C)CS(=O)(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1187592319 CCFYXZFLXFAGDJ-UHFFFAOYSA-N 426.376 4.597 30 10 IJEE N#CCCN(CCN1CCOCC1)Cc1ccccc1Oc1cc(Cl)cc(Cl)c1 1204153384 FLRWNYQWUWMXSA-UHFFFAOYSA-N 434.367 4.834 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)n1 1205621084 IIEQEOVUSNKTBO-UHFFFAOYSA-N 445.897 4.889 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1 1215117493 OJSSLFSYVRSYBB-JTSKRJEESA-N 425.504 4.654 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCc2ccccc21 1226593713 NOPVKYGJUAVBJA-URVUXULASA-N 425.573 4.545 30 10 IJEE C#CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CCC2 1270087047 IQJCBYAVIIOETO-XUTLUUPISA-N 434.543 4.777 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H]1CCO[C@H](C)C1 1286279108 SPKFQOIINXDCKY-ZSYWTGECSA-N 430.980 4.735 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1286317136 JQFXNHNQWVLBKB-VQIMIIECSA-N 441.988 4.825 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@H](SC)C1 1286500530 YHHYKBTUGIOTNT-IBGZPJMESA-N 437.638 4.582 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1286537479 CWKFNPVPJPFMGR-NEWSRXKRSA-N 431.378 4.811 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H]2c2ccc(COC)o2)nnc1C(C)(C)C 1286561888 HDOMSZOCBYHRLG-LMNJBCLMSA-N 428.577 4.638 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(N2CCOCC2)CC1 1286566604 OUBOXPRDWWTZEW-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1286588412 FMZCIZOCNCZAMV-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1286670732 MPBFXRYQXBGRNQ-UHFFFAOYSA-N 433.604 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1286675764 SEDQHPINYYRPOC-HDICACEKSA-N 425.602 4.661 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(F)F)C1 1286685589 SYBSFABLOQEEEO-AWEZNQCLSA-N 442.352 4.884 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(Cl)cc1F 1286759556 QSTBFZKMVDDFRY-UHFFFAOYSA-N 436.922 4.536 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1CC[S@@](=O)C(C)(C)C 1286763311 WTAPWMHNYLPSRO-SSEXGKCCSA-N 428.646 4.718 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C#N)c1)c1cccnc1 1287154696 AQTBKOIMTLSEDP-JOCHJYFZSA-N 425.540 4.616 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2c(C)noc2C)c1 1290333180 GYJMPSFNVAIGMB-UHFFFAOYSA-N 432.553 4.671 30 10 IJEE C=CCCC[C@H](C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1300325747 JHLHYSGBACQGTQ-BHIFYINESA-N 430.589 4.515 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C)=C(Br)C1 1300395089 VWGPKQPRVQODTF-UHFFFAOYSA-N 425.330 4.984 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 1301164410 SRJQJMFPGMQPRZ-XUZZJYLKSA-N 449.643 4.990 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1CC1(O)CCCCCC1)C1CC1 1301331265 HZRBJXPYTVOIGL-UHFFFAOYSA-N 442.629 4.819 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC[C@@H]2C)C1 1301541640 AUJSCIUXNFOJHD-YQVWRLOYSA-N 430.980 4.825 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCc2csc(C(C)C)n2)C1 1301546058 PGTWILFLAKPURJ-FQEVSTJZSA-N 437.613 4.857 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)C1 1302667815 GPBOOPBETUXJBD-DENIHFKCSA-N 427.643 4.824 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1CCN(CC(F)(F)F)CC1 1305379378 FGKYESSYQDPOLE-KRWDZBQOSA-N 448.537 4.574 30 10 IJEE COc1cc(CN2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)ccc1OCc1cccc(C#N)c1 1307790727 BHSRYVMIDDQYFW-BGYRXZFFSA-N 449.595 4.613 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1310833902 FFUBFEDJBZGMKP-FPOVZHCZSA-N 441.535 4.635 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(-c2nnnn2C)cc1)c1ccc(C(F)(F)F)cc1 1311000375 OMAVKOVIAAYYEO-SFHVURJKSA-N 430.434 4.725 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1312371540 UVDMWLRZKPRBKQ-FUHWJXTLSA-N 436.394 4.605 30 10 IJEE C=CCN(C(=O)[C@@H]1CCC=CCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352002902 DWECMFXPVAWWLJ-GOSISDBHSA-N 430.595 4.869 30 10 IJEE CC(C)(C)N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1=O 1354662685 DKPZGDNZAYPOBA-OAHLLOKOSA-N 445.441 4.955 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)CCCN1C(=O)OC(C)(C)C 1357573037 ALJLNUWRJDQRDV-DFBJGRDBSA-N 440.588 4.500 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCn1ccnc1C 1358874053 RNDRCDOAHQDHHY-QZTJIDSGSA-N 440.979 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1noc2c1CCCC2 1358897874 HRWSYYUSZKOXCN-GOSISDBHSA-N 447.583 4.528 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCSC(C)(C)C1 1358908374 VFCSXNOOLKRTKA-UHFFFAOYSA-N 442.629 4.876 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1358927671 GFAGOXXCOFWNFJ-YADHBBJMSA-N 433.556 4.653 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1(COC)CCC1 1358940212 RDWKALAIRRYBGK-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H](C)c1ccccc1 1359065339 OPHXVUVCBLYLKV-LPPUWEFUSA-N 436.600 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1359109262 UQHYJHBVDKNGLS-QFIPXVFZSA-N 430.556 4.649 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1359125649 NIFXQSNXNRBERS-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1OC 1359131039 GMVQEYCAHMEBQL-JOCHJYFZSA-N 433.556 4.591 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C)CCOCC2)CC1 1359174600 ITZYABFRTQFLDI-UHFFFAOYSA-N 432.515 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1359192908 RJPNSAGDJLZONB-IQGLISFBSA-N 442.579 4.795 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(c2ccnn2C)CC1 1359206253 ZIVLHXWLHNLBDS-UHFFFAOYSA-N 434.588 4.639 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359212135 AXBUQQFITDCHFP-FQEVSTJZSA-N 425.577 4.747 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1C(C)C 1359222447 JAROQTGEXFCZOW-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CCO[C@H]1C1CC1 1359235340 WJTWYNNYMVVGGJ-GHTZIAJQSA-N 449.368 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)s1 1359265097 XZWJUWKPQQDUGE-UHFFFAOYSA-N 438.626 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCOC[C@H]1C 1359267544 KDUJJQCKDUQKOZ-CVEARBPZSA-N 449.368 4.698 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCSC1 1359275730 CYQQDVFPFGSSEN-JOCHJYFZSA-N 433.625 4.642 30 10 IJEE C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1435008172 HXDMUCPROQQWSO-INIZCTEOSA-N 441.503 4.718 30 10 IJEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)C2)nc1 1436539790 GXSKNQNGFBLKNP-HXUWFJFHSA-N 443.469 4.854 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@@H](C)Oc3cc(Br)ccc32)cc1OC 1438014234 CDRFTVZCCGQMLP-WCLQSUPFSA-N 444.325 4.850 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 1444404730 GODDSWCOMIRUSW-UAPYVXQJSA-N 439.581 4.986 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 1446033495 LUZZBJNDUVSGME-PKTZIBPZSA-N 436.552 4.598 30 10 IJEE C#CC[C@H]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C1 1454048849 KEMRTNARMQABMG-SFHVURJKSA-N 431.561 4.977 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 1458729293 KPOWMQZNWLXRCM-CIAFOILYSA-N 428.326 4.911 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nccn2C)cc1 1463978003 MTUQGHKJKLKOJT-INIZCTEOSA-N 436.965 4.546 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)CCCN1C(=O)OC(C)(C)C 1464219847 QKHXPSBIPANZRI-AREMUKBSSA-N 448.567 4.687 30 10 IJEE CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1Cl 1465429919 ARZSRAINJAWGEZ-NRFANRHFSA-N 435.915 4.823 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2ccccc2)C(=O)C1)c1ccc(C(F)(F)F)cc1 1469492189 SVHQGWOXMYNXJJ-FQEVSTJZSA-N 431.458 4.771 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 1470142653 KWKBFLIFQGMGBR-HSZRJFAPSA-N 445.437 4.910 30 10 IJEE C=CC(C)(C)CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1470455031 YHDGOUKCDCVHMI-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 1476231410 BMTAMOYCWNMBNL-UHFFFAOYSA-N 426.801 4.724 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN([C@@H](CC)c3ccc(Br)cc3)CC2)cc1 1477192980 YQDKGUJKGFMBMU-NRFANRHFSA-N 426.358 4.731 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1477860459 ZFNLFDPWEXLKSW-QZTJIDSGSA-N 428.813 4.859 30 10 IJEE C=CCN(CCOC)C(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1478306365 PADNOZRPDRCGEX-HXUWFJFHSA-N 440.437 4.809 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)cs1 1503921214 ASJRHWGEOIDBCL-OLZOCXBDSA-N 448.955 4.546 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C(C)C)N1CCCC1 1507521698 PMLRNXXCHMJXCU-ZJOUEHCJSA-N 439.673 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1c(C)sc(C)c1Br 1507524537 WJHSDJYRJDWCSN-NSHDSACASA-N 433.375 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(SCC)c1 1507537598 WDXYSTMJKCGYBU-INIZCTEOSA-N 425.989 4.536 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCC2)CC1 1507573447 HLNUGXISMWVYIT-IBGZPJMESA-N 442.007 4.550 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCC(F)(F)F 1507705290 AWJOHSUUIHZTPP-OAHLLOKOSA-N 440.535 4.560 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(C)C)C1 1507757749 BPNSJQXQVYJBOG-IBGZPJMESA-N 444.670 4.818 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1507890303 ZKVMDMLFNILJPT-INIZCTEOSA-N 444.004 4.911 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccsc2)N(C)C)CC1 1507902654 ZJAUGIZKTNDIOO-HSZRJFAPSA-N 435.641 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CCC)C1 1507912371 UKOZXQQISQHGJV-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)C 1508019344 FXKQXOQNBLBLPC-FDDCHVKYSA-N 430.543 4.777 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CCS1 1513599317 AXRBUCNMWTVLTI-NQIIRXRSSA-N 439.629 4.601 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1513982781 AEUGWWBCBZXUSQ-OOICKAIWSA-N 434.632 4.810 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)CCS(=O)(=O)Cc2cccc(C)c2)c1 1520385335 RQSABHVMYSARLK-UHFFFAOYSA-N 437.586 4.576 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1521932409 PWLHBCLQCMEEQU-ZDUSSCGKSA-N 439.364 4.631 30 10 IJEE C=CCCCCNC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1523750302 ISBBVFCZCWTLDY-UHFFFAOYSA-N 429.380 4.847 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(I)c(F)c1 1524185281 DUAFEBIDINOZHU-UHFFFAOYSA-N 435.689 4.974 30 10 IJEE CC[C@@](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)(C(=O)OC)c1ccccc1 1525728227 HDSZMAVSRGNJII-SANMLTNESA-N 428.488 4.867 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1526472755 GZGIOCCDGNXNFJ-HXUWFJFHSA-N 445.350 4.564 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 1528005969 DTZZYBLHJJILNQ-KRWDZBQOSA-N 443.341 4.505 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 1529074644 NIBZXCKCOOPKGL-OAQYLSRUSA-N 431.363 4.855 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CCCN1C(=O)OC(C)(C)C 1537651131 MAJRAVJNMWCGTB-DFBJGRDBSA-N 426.557 4.895 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)C(C)(C)C)cc1 1539005924 BOWXZIUXSHMEPR-QFIPXVFZSA-N 444.522 4.924 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](OC)[C@@H](C)CC 1539345869 ZCIUTTRBUWDIPC-YADARESESA-N 433.600 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(OC)CCCCC1 1539570595 ZCPDIIWGJDVEGW-YOSAUDMPSA-N 428.621 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1cccc(C)c1 1539629997 COTFABIBNVEJCR-OFNKIYASSA-N 426.605 4.672 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCCCCC1 1539641771 OENFMQAQSLSYRN-CVDCTZTESA-N 442.629 4.941 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539750484 PZJJMPFRQJSROX-XMMPIXPASA-N 447.023 4.756 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCN(CCC)C2)CC1 1539828613 MJRXTCXBFAIIHD-UXHICEINSA-N 444.023 4.960 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1cccs1)c1ccccc1 1539940950 XPYTVRHGEFOPHL-HXUWFJFHSA-N 430.581 4.835 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)nnc1C(C)(C)C)c1ccccc1 1539947377 JNDWBRFQERFGJL-GDLBMTQOSA-N 438.616 4.708 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@H](CC)C1)c1ccccc1 1539948614 QPIPWHONDBACHD-KIFXHHALSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1539960885 IKXMCKMJBTVWLV-UHFFFAOYSA-N 445.611 4.826 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1CC(F)(F)C1 1540119131 HLYGRQCFHMUAEG-UHFFFAOYSA-N 425.483 4.587 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)c1ccccn1 1540121150 HKKVMTXPXPPLHG-UHFFFAOYSA-N 437.551 4.710 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCOC1 1540133553 HKKIJSWLVAFMDY-QGZVFWFLSA-N 441.938 4.752 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1540142585 MORFLDUCINLREF-PMACEKPBSA-N 443.661 4.689 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cscn1 1540910654 GGJGOQMYICXQOW-UHFFFAOYSA-N 436.006 4.619 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCC1 1547505195 HYSDWAJTQIWPMI-UHFFFAOYSA-N 441.988 4.863 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 1556575479 RMWZELRDVJYYSV-GOTSBHOMSA-N 443.996 4.983 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cccc(F)c3[C@H]2C)n(-c2ccc(F)cc2)c1C 1559557493 AIWPRLXULNQAFK-QGZVFWFLSA-N 434.490 4.802 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)cc1 1562235840 UHZKAFFLHIWQOC-LJQANCHMSA-N 442.357 4.810 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1562900513 GUTCTAYSYNLGNN-QGENPCKLSA-N 434.540 4.929 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(Oc4ccnc(Cl)n4)cc3)CC2)c1 1562957987 CRQFVPMTXIETPC-UHFFFAOYSA-N 449.898 4.869 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)cc21 1563315228 FACUUWVRHOCZOW-QGZVFWFLSA-N 430.339 4.930 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12 1565396164 AZQLYHFXPXEHMY-UHFFFAOYSA-N 436.462 4.813 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)s1 1566426120 HHLRYYUYHZCHST-LPHOPBHVSA-N 440.009 4.539 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 1583093255 XEDBMGSXVRZXHA-QFBILLFUSA-N 438.996 4.904 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(I)cc2)C(F)(F)F)cc1 1587315648 SVJRFXAPFQLDAY-OAHLLOKOSA-N 430.163 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccc(OC)cc2)CCC1 1587594499 XKELGIGQYIABMZ-QGZVFWFLSA-N 435.959 4.582 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCCCCC[C@@H]21 1587813286 LDUAOPBUXCSMMT-AEFFLSMTSA-N 430.394 4.619 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)cc1OC 1587820449 UHCGWSILCPKKKJ-LUAWRHEFSA-N 447.453 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@](C)(O)[C@@H](C)CC 1589251672 QNUOVUIWPZVHPZ-WUMKDDEVSA-N 426.630 4.668 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1589742786 ZHXCHGGAZLBYBB-UHFFFAOYSA-N 434.563 4.679 30 10 IJEE C=CC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[S@](=O)C(C)(C)C)CC1 1594192268 GRCOKHBAHUMCFH-HKBQPEDESA-N 440.657 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1594460803 CGXYNODCHGYROZ-AREMUKBSSA-N 437.632 4.807 30 10 IJEE C=CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCn1cccn1 1594680789 VJCGHHYKIAHOMY-UHFFFAOYSA-N 433.585 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1C[C@@H](C)O[C@H](C)C1 1594914263 YZBHQKDZWFCXJJ-ZIAGYGMSSA-N 437.357 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCn1cc(Cl)cn1 1595178651 NEPUBVXDWKEALZ-UHFFFAOYSA-N 433.947 4.530 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCCc1nccs1 1595196595 YAVGUOSTRFGGBB-UHFFFAOYSA-N 444.402 4.975 30 10 IJEE C=CCC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 1596592903 DJLLZGLOAHNQMB-UHFFFAOYSA-N 432.929 4.943 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2cc(Br)c3c(c2)OCO3)cc1 1620962286 XUUJCWXYPCFQQD-UHFFFAOYSA-N 429.314 4.604 30 10 IJEE CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1621712716 CTUKFWJKKZGTDX-KRWDZBQOSA-N 425.323 4.622 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CSCc3ccc(Br)cc32)cc1 1622329630 JEYDMKKSPGTZQO-LJQANCHMSA-N 438.412 4.834 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 1635835610 HKDUZEFHQHPJQV-UHFFFAOYSA-N 446.572 4.632 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 1640397661 VXVZGDHUQRGRGM-SIKLNZKXSA-N 426.582 4.969 30 10 IJEE C=CC[C@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 1641030465 YGYJISXZVNPDLE-SFHVURJKSA-N 436.556 4.980 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(Br)c1F 1641200247 FSKGADCOGPZGIP-LLVKDONJSA-N 439.684 4.702 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(C)c(Br)c2C1 1641207263 UFZSYOSEIHYTOV-QGZVFWFLSA-N 437.378 4.849 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 1645036400 VZUZJZYDTOTLID-UHFFFAOYSA-N 436.899 4.691 30 10 IJEE C=C(C)[C@H](NC(=O)NCCN(Cc1ccccc1)c1ccccn1)c1ccc(F)c(F)c1 1686173238 DTPUBLQEXBEICV-DEOSSOPVSA-N 436.506 4.983 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 1686301170 BYUFRCFNBWIHPP-OAQYLSRUSA-N 428.577 4.562 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1c(F)c(F)c(Br)c(F)c1F 1686856023 DZXGZZPKWQUOKA-UHFFFAOYSA-N 437.256 4.965 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1csc(-c2ccco2)n1 1690040751 NFBDAWBSGFSPBZ-UHFFFAOYSA-N 447.951 4.826 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1690476383 AVGOPPIXPGKABA-XMMPIXPASA-N 428.577 4.712 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](OCC)C1 1690492335 SAAUIXGKNFFBQH-IBGZPJMESA-N 449.393 4.591 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1690547086 UUCCKOAWDPTAQV-UHFFFAOYSA-N 437.613 4.835 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCN1CC 1690577945 OLRONROUXVXDJK-PZJWPPBQSA-N 429.634 4.648 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCN1CC 1690605514 MQAHVCLAXKJJIA-HSZRJFAPSA-N 444.583 4.519 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCC1(F)F 1690607106 CUOPIAPFJJLMED-IBGZPJMESA-N 427.499 4.994 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1690738778 YBTWJAIHTXDGJD-HZPDHXFCSA-N 433.419 4.719 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1691164219 DJSGEZHDIRAPGF-HOFKKMOUSA-N 448.659 4.561 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(C)(C)C 1705577688 PWCFVYPQCXMMOM-UHFFFAOYSA-N 427.390 4.915 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H]1OC 1705621064 PXMSURZQVJNSNS-UNMCSNQZSA-N 438.572 4.524 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC(CN(C)CCCC)CC1 1705685503 BHYQJMLZGSQUQF-UHFFFAOYSA-N 438.458 4.793 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)CC 1705711576 PHGJYACOJVKGFX-QHCPKHFHSA-N 425.602 4.940 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1705723475 WKWBQMZAHQTUFU-HXUWFJFHSA-N 441.938 4.894 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1705784798 JKRXIRVNKLBWLV-YKSBVNFPSA-N 442.579 4.850 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1705804882 QRRHGYKRLJSSKB-GMAHTHKFSA-N 445.615 4.581 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705823639 QTMHCKAVIVKGPT-INIZCTEOSA-N 442.457 4.510 30 10 IJEE C=CCCCn1c(COCC)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1705823648 RDMORVPPQVDVOX-GOSISDBHSA-N 425.360 4.666 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1C 1705877447 HNMXFXOKUZRGTB-DNVCBOLYSA-N 426.362 4.852 30 10 IJEE CC(C)SCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](F)(C#N)C1 1706712570 FEBXZPKTAYTYKN-NRFANRHFSA-N 433.622 4.859 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1csc(CC)n1 1722405587 NUHVFFZZVBVHBS-UHFFFAOYSA-N 448.621 4.904 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CCCCC2)C1 1722487609 SVNHFTOPCDOGSO-UHFFFAOYSA-N 436.423 4.703 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1722502071 HWXAOXACIUFFGH-YADARESESA-N 440.588 4.777 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722573490 ZPTCPJJAPJJNJP-JTHBVZDNSA-N 449.599 4.531 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1722577790 QNEYELVZVFGTMA-YADHBBJMSA-N 444.023 4.878 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1C1CCC1 1722624672 FCPNKIKBWYELQE-FQEVSTJZSA-N 430.980 4.969 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722629446 RGUAVVXMXDFFFG-SIKLNZKXSA-N 449.426 4.790 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCc2cccc(Br)c2C1 1722630394 ZMCDIPMDWMDNGK-UHFFFAOYSA-N 447.421 4.785 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(C2CC2)CCC1 1722679179 PPKHVMVRCQQVRN-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722683038 ACJDBZBKILPHOR-INIZCTEOSA-N 449.393 4.686 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1722733420 ACOOADFWQTXKCD-CRAIPNDOSA-N 440.535 4.583 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CCCO)CC1 1740566607 WOVNBCXNWBSERQ-IBGZPJMESA-N 440.657 4.924 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OC)CCC(C)CC1 1740603627 YSPGHIHSTSLZDL-RKDDFOCISA-N 426.630 4.796 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC=CCC1 1740679655 GCZATSMPLXLNGY-HSZRJFAPSA-N 443.595 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCCCN1CCCCC1 1740734015 WMCFMGFWVSBQAI-XMMPIXPASA-N 425.646 4.579 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1 1740779105 OIKGODKCLUPQIQ-OAQYLSRUSA-N 435.547 4.978 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 1740886321 CTZDYNCZDBSPOB-UHFFFAOYSA-N 438.547 4.783 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1740908182 NOPOAVRSUVBWLL-SFHVURJKSA-N 445.558 4.822 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(SC)CCC1 1740938370 DZIHKIUZYIRGNR-UHFFFAOYSA-N 437.613 4.726 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2sccc2C)cc1 1742296106 HCFQQIHUWILZEY-JOCHJYFZSA-N 441.601 4.933 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)s1 1744415132 ADMZFOSHBGQTJT-QGZVFWFLSA-N 438.626 4.615 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1(O)CCCC1(C)C 1748646493 ABGXAGVAGRJCSZ-NSYGIPOTSA-N 449.624 4.776 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCO[C@H]1C(C)C 1748775422 LNHCNNKMJPHKOG-KNQAVFIVSA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H](OCC)C(C)C 1748917636 GUJQONMHXTXHSW-FQEVSTJZSA-N 447.421 4.927 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1749135860 IQOWAZPTRQUAIS-YIOKTVOASA-N 448.970 4.676 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)cc1OC 1749417443 HDQZCXPRMROZGY-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)C)CC1 1749417715 MWDQOJDYJZGMKM-UHFFFAOYSA-N 432.410 4.513 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1749467448 PHODZTFGPWKKNG-ROUUACIJSA-N 446.437 4.698 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@]2(OCC)CCOC2)n1C1CC(C(C)(C)C)C1 1749586182 NVSQALNKOKJKOA-OZTQUORISA-N 442.604 4.756 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1749608173 QKOMAGYMSXOTSB-CRAIPNDOSA-N 426.362 4.615 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2scnc2C)C1 1749701849 ZTVJKFATEMMLNS-MRXNPFEDSA-N 447.967 4.527 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCSCC(C)C)C1 1749707322 VFMPWJPKPRHRCZ-LJQANCHMSA-N 439.629 4.607 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCC2(C)C)C1 1749719095 NQXWQYKMOFFKSK-GHTZIAJQSA-N 428.552 4.604 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCc1cccc(F)c1 1760167178 FRNSNRAATOIZNF-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1coc(-c2ccc(C)cc2)n1 1760229509 UKEZXOGGWQEHDY-UHFFFAOYSA-N 446.942 4.659 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC1(c2ccc(OC)cc2)CCC1 1760337917 AOFDFTSHHYHNPL-UHFFFAOYSA-N 431.584 4.797 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 1760352926 BOWYQLZHISGNCR-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1760406821 MQQQJRZNEOJRIG-SFHVURJKSA-N 429.584 4.868 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1760418087 MMMYRXIMKWIRBJ-FYYLOGMGSA-N 431.584 4.953 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760434769 MDPYSBJUAWUWSB-OXQOHEQNSA-N 445.405 4.986 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](CC)C1 1760560443 VSRDDYFOHPCDPR-AEFFLSMTSA-N 437.009 4.606 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1760564955 KXQMRYXQNSIBPE-HXUWFJFHSA-N 425.646 4.566 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCC2(C)C)cc1C 1761805007 CJVBXKKHKDRESM-FQEVSTJZSA-N 434.588 4.714 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1nccs1 1772725114 XNSTVKVEJCDHLA-LVTLTCAPSA-N 437.502 4.891 30 10 IJEE CCCN1C(=O)/C(=C/c2cccc(O[C@H](CC)C(=O)O)c2)SC1=Nc1nc(C)cs1 1772761846 KWTQYVMXDGUTBN-PXMQSNMNSA-N 445.566 4.708 30 10 IJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H](CCOc1ccccc1)C(=O)N1CCC(C=O)CC1 1860623033 SFYUYGCYWRYMSP-HVHOJJEHSA-N 429.601 4.739 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862437884 BCJUUCHVQBAEQO-FQEVSTJZSA-N 429.900 4.734 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2c(F)cccc2Cl)cc1 1862481207 ZHFVKUHIJAAFFQ-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1Cl 1862502454 AHQXAZYKLYUFHR-FQEVSTJZSA-N 431.891 4.792 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1862536420 XVRCZFXXSRRWNS-DEOSSOPVSA-N 443.499 4.747 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538100 DBRYWIFTGWZQSZ-CWTRNNRKSA-N 434.319 4.515 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862559692 UUOYAWZMJGARIY-DEOSSOPVSA-N 445.563 4.804 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccccc2)cc1 1862616294 SWVBQUPDWIMWRR-QFIPXVFZSA-N 429.520 4.528 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(F)c1 1862626878 HPISYOFKRKTRDZ-NRFANRHFSA-N 425.456 4.713 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc2c(c1)OCO2 1862627377 NYMNFCLJQIWSGK-QFIPXVFZSA-N 447.874 4.847 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(OC)cc2)cc1 1862689560 TVLAVFNOEODTCE-FQQGMQMYSA-N 435.520 4.861 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862746477 GKPSVXXWCBEBOR-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1862795626 INEIGESTVHIEQY-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)cc1 1870145444 AFLYSEYYWAFACW-ZDUSSCGKSA-N 444.322 4.975 30 10 IJEE CCCCCCCOc1cn(CCCN2CCOCC2)c(CN(CCC)CCC)cc1=O 1870412755 HXSSEKMSNGBNIV-UHFFFAOYSA-N 449.680 4.542 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)c(OC)c1 1871344522 JCCJWJGCYJGLPH-QFEZKATASA-N 443.499 4.715 30 10 IJEE COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871408675 FMRJXWRXXXMWGB-PJICWNCHSA-N 439.851 4.964 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872127776 UHGLWXVPNLJSGH-JOCHJYFZSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872490235 LXHYQCIDHSKXNV-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE CC(C)CN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872770958 IVYLYAJXBDZNCU-MRXNPFEDSA-N 435.530 4.614 30 10 IJEE N#Cc1cccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3cccnc3)C2=O)c1 1873285696 OSAYRPJZNPHNOM-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(CCCc3ccccc3)C2=O)c1 1873320157 ADESILSMZHLLOR-UHFFFAOYSA-N 443.453 4.661 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(N(C)C)cc2)c2cnn(-c3ccccc3)c2n1 1873481512 BUUGRXAJZJALQC-UHFFFAOYSA-N 425.540 4.804 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617634 ZROQPOPXSCMOED-UHFFFAOYSA-N 437.507 4.666 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCCCCCCO)ncnc21 1873642769 JSDCBDUDYVNVDY-UHFFFAOYSA-N 445.926 4.627 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(O)c(OC)c1 1874255644 BVEIGRVIZGRDRY-ZMOGYAJESA-N 440.569 4.881 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2/N=C/c2c(Cl)cccc2Cl)cc1C 1874332613 PZNZAVUJKMEESQ-ZMOGYAJESA-N 449.407 4.954 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(CCc2ccccc2C)nnc1SCCO 1874365285 VAAQUPYFGOUBNR-YZSQISJMSA-N 446.576 4.500 30 10 IJEE Oc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 1874382949 QMJGLIXDSGCFPG-AFUMVMLFSA-N 434.496 4.876 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1O 1874398864 RJHDHEFIJFCSIB-CVKSISIWSA-N 448.523 4.788 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2cccc(Cl)c2)o1 1874487360 BZBMSZVXFHPRTR-SSDVNMTOSA-N 432.933 4.684 30 10 IJEE CCCOc1cccc(/C=N/n2c(CC)nnc2SCC(=O)Nc2ccc(C)cc2)c1 1874524224 DDMGUQGWXSJLLZ-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(F)(F)F)cc2)c(C)c1 1874533905 HWNMQFWELUPUII-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)cc2)c1 1874630755 SFPDMDOZWVOCAA-RVDMUPIBSA-N 425.525 4.627 30 10 IJEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 1875117497 IJJDXYXJKGTRMP-WUXMJOGZSA-N 446.415 4.856 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(OC)nc(C)c(Cl)c3C)cc21 1890614251 WESZCBJPJOYTNE-UHFFFAOYSA-N 443.931 4.550 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NN)c1cc(Br)c(Br)s1 1922048016 XLPNWESDONUKEX-CQSZACIVSA-N 432.181 4.551 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1999931755 PRGYBKYHXDLBIZ-KKSFZXQISA-N 436.557 4.853 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)ccc(Cl)c1F 2037655550 ZYTYZOOSALSVTO-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCCN(c2cc(Br)cc(F)c2C#N)C1 2118154315 YLOPFPFIWLETCE-CQSZACIVSA-N 426.330 4.734 30 10 IJEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)cc1Br 2181048407 YIIPKVWWCUEKLK-OAHLLOKOSA-N 438.366 4.836 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181114365 JWRYOKQALJNRQE-NFAWXSAZSA-N 436.350 4.541 30 10 IJEE CN(Cc1ccccc1)[C@H]1CCCCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2219964587 OTJQBDYVZYVGTG-QFIPXVFZSA-N 440.462 4.534 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)C#Cc3ccccc3Br)CCC[C@@H]12 2235727047 QBGFRUCTMWMUPA-XMSQKQJNSA-N 432.358 4.940 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(OC)c1 2266736424 RFSIDXYKTQZXNA-WMZOPIPTSA-N 427.383 4.968 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 2296930439 YHLUVWYEUKHOCN-QFIPXVFZSA-N 444.443 4.538 30 10 IJEE C=CCNC(=O)c1cc2ccc(OC(=O)C=Cc3ccc(Cl)c(Cl)c3)cc2oc1=O 2314751081 NXVZEGCTSWWHMW-UHFFFAOYSA-N 444.270 4.634 30 10 IJEE COc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1 2318571104 CFLRTQYBCUMPJN-UHFFFAOYSA-N 439.544 4.924 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)c(O)c1 2321392535 UIWYAZXIQVTGNA-UHFFFAOYSA-N 446.960 4.575 30 10 IJEE CCOc1ccc(Cc2nnc(S)n2N=Cc2ccc(OC(C)C)c(OCC)c2)cc1 2322083180 BBMYDQJMEJINHV-UHFFFAOYSA-N 440.569 4.624 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2cccc(Cl)c2)cc(Br)cc1OC 2322527896 RRXWVEDTWVZAPS-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1OC 2322748313 SYOUYBGLUYUHKU-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c1 2324035289 AMZKHTHRHBRQBM-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3c(C)cccc3C)ccc2C1=O 2325493203 RJGPISXQDKXFMV-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COC(=O)c1cccc(CSc2nncn2N=Cc2ccc(OC(C)C)c(Cl)c2)c1 2326749732 BHZIHVMLOHFILQ-UHFFFAOYSA-N 444.944 4.680 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)cc1 2328567263 ZMZFSGXWOQNDSK-UHFFFAOYSA-N 429.549 4.837 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1cc(OC)c(OC)cc1OC 2330377287 WXUZDBDWFBWTIP-UHFFFAOYSA-N 444.582 4.507 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c1 2331182688 YITPWVOCHACODU-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)CCCSC 2331404046 UXEFJWFRQGTBRJ-UHFFFAOYSA-N 442.533 4.801 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1 2331757253 RISYIDDVSQYBEM-FQEVSTJZSA-N 445.855 4.546 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC(C)(C)[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582142 OYXKQZOIEHZHID-JXGFJBPRSA-N 444.381 4.797 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339586579 HXEXFRSNQBXDTE-FJOTYRSKSA-N 443.397 4.974 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339601478 YNTVYSSABWKGIK-PKMDAXGDSA-N 444.381 4.798 30 10 IJEE Cc1ccsc1CN(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377310809 OIPWKKQTTWBGEI-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CC1(C)C[C@@](Nc2ccc(C#N)cc2Br)(C(=O)O)[C@H]1OCc1ccccc1 2378747845 IQLVUMFIAHNJIF-RXVVDRJESA-N 429.314 4.571 30 10 IJEE O=C(NCCc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 33686614 JRZCIGBSYOPPES-WNMDNWPKSA-N 443.572 4.567 30 10 IJEE O=C1/C(=C\c2ccccc2Br)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 37857958 SWKQGPCBUPUHGL-UFFVCSGVSA-N 449.304 4.812 30 10 IJEE Cc1c(C(=O)[C@@H](C)Oc2ccccc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38623143 KCKAQPSWGKVRRD-JKSUJKDBSA-N 436.895 4.647 30 10 IJEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2CCCO2)C4)c2ccccc21 41650878 JNTGTLNXPCSUES-BTMMFNIDSA-N 444.531 4.917 30 10 IJEE Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C23CC4CC(CC(C4)C2)C3)NC1=O 72434626 ALKYWJJEMRWADB-CTEACUEPSA-N 431.989 4.533 30 10 IJEE CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1cccc(C(=O)O)c1 101132315 VBFABFCLPUJUAN-GTXWLNMASA-N 449.444 4.787 30 10 IJEE Cc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c2cnn(Cc3cccs3)c2n1 105700893 TVDGFRMQHKBFSZ-UHFFFAOYSA-N 449.539 4.897 30 10 IJEE CCOc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1 169904201 VYXMOVCHEBUJIP-SSDVNMTOSA-N 445.368 4.739 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC(C)C)cc1 169927983 XHMDMNNSOBDPEE-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 170034142 XJGWCBVPUPSIRH-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 170081837 FKLUOMVHKSEGCP-OAQYLSRUSA-N 430.847 4.700 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccco2)cc1 170097276 PQRJNVQPWUYSJT-IBGZPJMESA-N 438.505 4.530 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC)c1OC 170127298 JIWLCUWGPHSALP-JOCHJYFZSA-N 431.488 4.845 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 170131158 NAAVBVOWZYOQKA-QFIPXVFZSA-N 428.419 4.796 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(C)c2)ccc1Cl 170144871 KKNMGIPFILCKOQ-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(OCC)cc1 170213809 MMBPIBRMUMHXJW-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OCC)c(OC)c1 170216273 QCYPENAMYVVRRP-JOCHJYFZSA-N 434.492 4.564 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)c1 170223745 WZBIPVOIEFEWMB-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1F 170249779 XWXZNUBLRROWGO-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1 170289791 PSROSDRUOMQVOQ-JOCHJYFZSA-N 428.444 4.723 30 10 IJEE CC(C)c1ccc(NC(=O)CSCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 244133238 ULSXYNHLDZZLFB-UHFFFAOYSA-N 427.595 4.932 30 10 IJEE N#CCC1(CNC(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 431045717 AAHBHNZVINCOAS-HNNXBMFYSA-N 435.368 4.501 30 10 IJEE COc1ccc(OC)c(CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 438652993 DNWDMAADOIOUPY-UHFFFAOYSA-N 435.455 4.871 30 10 IJEE COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2cc(C#N)c(SC)nc2O)c1 439958233 GIZJTJFUTGNXLL-QFIPXVFZSA-N 447.560 4.720 30 10 IJEE C=CCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)c1ccc(C(F)(F)F)cc1 441580683 NHAGNLIMCPXKSF-HXUWFJFHSA-N 439.499 4.865 30 10 IJEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)NCC4CCC(C#N)CC4)cc3)sc2c1 443331302 DGMJZFKGFVFDIK-UHFFFAOYSA-N 432.549 4.656 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 460368976 JRIPWUROSKDAIF-QFIPXVFZSA-N 434.588 4.940 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCOC[C@H](C)C1 460794042 PHBUYRZOINEJKD-LJQANCHMSA-N 436.531 4.712 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cc(OC)c1OC 495303732 BCIOPMHTPSLEEI-UHFFFAOYSA-N 428.529 4.895 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(OC)c(OC)cc1OC 526802651 JXSJRIXZSMJHAI-CFRMEGHHSA-N 444.532 4.570 30 10 IJEE C=CCn1c(SCc2coc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1ccccc1 542938640 XCNQNZYCTFVYRA-UHFFFAOYSA-N 432.505 4.865 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 549262077 IVCZWUKDVYFYEU-UHFFFAOYSA-N 448.615 4.848 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 555264944 ZDSHHUGNJAMTPG-ZWKOTPCHSA-N 431.378 4.537 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2Cc2cccs2)CC1 559158992 CLHGKLUUFKJDGH-UHFFFAOYSA-N 430.537 4.840 30 10 IJEE C=CCN(C(=O)c1cnc(OC)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 585734633 FDCNORVGDKRVBX-UHFFFAOYSA-N 430.873 4.608 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)c1 586003110 YONOKRFJIQGBMN-QDEBQFNMSA-N 431.580 4.958 30 10 IJEE CCCCCCC(=O)NC1CCC(OS(=O)(=O)c2ccc(Br)cc2)CC1 586508608 KRQXWTCTAXUVOX-UHFFFAOYSA-N 446.407 4.552 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(C(F)(F)F)nn(CC)c1C(F)F 672239851 ACRGKEWPYGMVCU-UHFFFAOYSA-N 433.425 4.855 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 698370816 CMGGWGNOOROJBM-HOYKHHGWSA-N 429.561 4.963 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCc2c(Br)cccc21 698371778 FYJCIKKXVXIHCH-NRFANRHFSA-N 436.394 4.693 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@]3(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698816611 QPFKQSOSCFMUGV-MWUZLLDJSA-N 431.577 4.704 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 710404751 NMILNVNNVWITGT-NAKRPHOHSA-N 447.623 4.576 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1OC 726932148 TZOHIFRTKQNVQD-VZUCSPMQSA-N 427.407 4.900 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C 735969844 XTXPVBKXLDXGFI-IBGZPJMESA-N 438.940 4.580 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2cccc(NC(C)=O)c2)=C(/O)c2ccc(C#N)cc2)cc1 762441844 VVBZUXUWWRIFSC-UHFFFAOYSA-O 443.552 4.690 30 10 IJEE C=CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 783233983 XOCRUPBRFGJBSG-VWPQPMDRSA-N 444.938 4.541 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)CCCN1C(=O)OC(C)(C)C 792531396 ZUYBYLQDAJFSOA-QHCPKHFHSA-N 449.979 4.763 30 10 IJEE C=CC[C@]1(C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CCCN1C(=O)OC(C)(C)C 804513125 DWLILGHGGGWQGN-ATIYNZHBSA-N 442.600 4.613 30 10 IJEE COc1ccc(N=C2S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1Cl 1084372596 SCFNVVAQJUICIZ-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE C=CCN(C(=O)c1ccc(P(C)(C)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124413891 QWVXBDWHGWUCMQ-UHFFFAOYSA-N 441.449 4.799 30 10 IJEE C=CCC1(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)CCOCC1 1125742945 WAAULZXWHGQFHS-HOTGVXAUSA-N 426.479 4.630 30 10 IJEE C=C[C@H](COC)NC(=O)c1cc(-c2ccc(C)cc2)nc2nc(N3CCCCC3)sc12 1128242755 FZOIKMIUTIDOLB-GOSISDBHSA-N 436.581 4.588 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCc2nc(CC)sc21 1137339106 HMXCEDIPMKAANZ-CABCVRRESA-N 427.998 4.577 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 1137547577 GSXHTJODMQPPTB-UHFFFAOYSA-N 428.319 4.942 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(C(F)(F)F)cc1 1137721511 DEFSJRYNUKDQMU-HCXYKTFWSA-N 438.490 4.942 30 10 IJEE CC#CCN(C)C(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1160068234 VMYDKQWPWCUKSV-HXUWFJFHSA-N 430.548 4.519 30 10 IJEE CN(Cc1cc(Br)ccc1Cl)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1193372487 CMZXDLHKEXQQRY-LJQANCHMSA-N 432.749 4.602 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)C1 1197868820 NNOKLAXUYPDGBV-SFHVURJKSA-N 443.569 4.624 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C(C)C)c1ccc(Br)cc1 1211981886 NFEFCQLYAZKJSA-SFHVURJKSA-N 436.371 4.542 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c1 1214885620 HAAWTLSIWWFISB-AQNXPRMDSA-N 429.561 4.797 30 10 IJEE C#C[C@H](NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1252478711 FDHFGJOUVGFWGU-XXBNENTESA-N 427.951 4.707 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1cscc1C 1286379096 GMHFJYWKRGBRLF-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(F)(F)F)cc1C 1286382166 VGFBIYTYYDQGPM-RTBURBONSA-N 434.506 4.642 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1N(C)CCCC1(C)C 1286454566 KLHGOHCVMZCURW-QHCPKHFHSA-N 449.574 4.746 30 10 IJEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1286611206 HMOVQMQEHMMWCH-HXUWFJFHSA-N 448.571 4.676 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3sccc3c2)CC1 1286653453 XFEDRLBBZRTDIW-UHFFFAOYSA-N 437.613 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286666807 FLPMGARCRVVBQH-FQEVSTJZSA-N 442.007 4.792 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1286671777 ZGYNTDMWDYXNKQ-DHIUTWEWSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C)CC1 1286687567 QGHJBRZXMGBAEB-HXUWFJFHSA-N 429.609 4.905 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286696530 HPVOMSXVICLQOC-UHFFFAOYSA-N 425.577 4.524 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1286719504 ISWQDMCRHOHMNK-HUUCEWRRSA-N 449.393 4.542 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCC1 1286746928 GIGTZZTUMXDZFA-QGZVFWFLSA-N 442.560 4.726 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1286760110 JUCOSMNXVUWWLP-ROUUACIJSA-N 430.980 4.893 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286772023 GVIQAWZOBYJOCZ-ROUUACIJSA-N 433.394 4.842 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2(OC)CCC2)C1 1286801631 FCEFYGDSEWWMGS-JOCHJYFZSA-N 438.616 4.983 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCSC1 1287597142 FDIPXSVNPKLKKS-IBGZPJMESA-N 449.628 4.854 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 1293690657 QTJGEPCAEUDBTQ-FQEVSTJZSA-N 432.561 4.741 30 10 IJEE C=CC1(CC(=O)Nc2cc(F)c(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 1296719385 AZLXXRVVZBWSGV-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@@H]1C(C)C 1300564322 CPFNIKGOQXRJLG-LAUBAEHRSA-N 445.394 4.776 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccnc1OCCC 1300606138 GORKPKUXWCPBSK-GOSISDBHSA-N 449.624 4.823 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1300746807 VKJZVQKNOHFPSR-LJQANCHMSA-N 441.963 4.841 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1300832197 HFAWHXOWOFVNGL-LJQANCHMSA-N 433.394 4.667 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CC=CCC1 1300873552 HHZGBUIDOMVOSP-CUWPLCDZSA-N 427.980 4.767 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1301054913 BBDXIHMBACKYPU-LJQANCHMSA-N 433.021 4.884 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N(Cc1ccnn1C)C1CC1 1301055527 MBOGOCHAVIMUAS-UHFFFAOYSA-N 449.411 4.879 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCn1ccnc1C 1301270452 HVQMFVDLIRMNQS-UHFFFAOYSA-N 429.572 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN(C(C)C)C1 1301363077 NZRHXGSNZMLLLY-UNMCSNQZSA-N 443.661 4.894 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccc(F)cn1 1305428074 BHPSBHHKQUQMLR-LLVKDONJSA-N 439.379 4.695 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN([C@H](C)c2ccc(Br)cc2)CC1 1308564812 OGJVAGBXQDUTJG-QGZVFWFLSA-N 447.804 4.993 30 10 IJEE C=CCc1ccc(OS(=O)(=O)Cc2cccc(Cl)c2Br)c(OC)c1 1308995443 VAVRNQRSMNTARB-UHFFFAOYSA-N 431.735 4.748 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1Br)c1ccc(F)c(F)c1 1309417859 GNPMBGVGHQIZTC-INIZCTEOSA-N 436.705 4.976 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 1310006370 WDWHOCKVTCHGJI-UHFFFAOYSA-N 429.476 4.994 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1311995266 VKZTWLZGHKBNSA-FGZHOGPDSA-N 431.502 4.766 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@H]1C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 1312340289 AAIYIEWCBWRFBR-AABGKKOBSA-N 426.479 4.692 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1313766003 FRMKFLJAUONAKV-UHFFFAOYSA-N 436.947 4.571 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccccc2)C1 1321463679 UGCVCNGQTACWGY-FQEVSTJZSA-N 439.357 4.537 30 10 IJEE N#CCCCN1C(=O)CCc2cc(NC(=O)NCc3cnc(-c4ccccc4)s3)ccc21 1343434376 PWOICQRZOJAXKX-UHFFFAOYSA-N 445.548 4.715 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1351726678 YVSQGSRSAVXLPN-FQEVSTJZSA-N 428.451 4.547 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 1355028280 YFWIXQJIWPVWPG-KUHUBIRLSA-N 441.355 4.928 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1 1357220727 TVTGMSYHBIOPKH-MJGOQNOKSA-N 427.342 4.626 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1OC 1357491940 GJDDISVYVIUNPQ-YJUBCCDLSA-N 446.591 4.690 30 10 IJEE C=C(C)[C@H](CC(=O)NCCOc1c(Cl)cc(Br)cc1Cl)OCC 1358080138 JGJUDZDKVYMZDC-AWEZNQCLSA-N 425.150 4.622 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1cccs1)N(C)C 1358899399 MKZBJFIHQIGQDR-UYAOXDASSA-N 439.654 4.701 30 10 IJEE C#CCCCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)nnc1C(C)(C)C 1358917080 GNYXJWNFLROJKL-OALUTQOASA-N 431.625 4.509 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(F)cc1 1358987437 GEKKMPSPXHENTD-UHFFFAOYSA-N 432.568 4.926 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](COCC)C1 1359143584 GPRPQGIDYLGQFI-GOSISDBHSA-N 425.964 4.807 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1359174258 ZACWYNBBPVNECQ-ZIBCJSCZSA-N 443.636 4.697 30 10 IJEE C=CCCCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359206017 RBZROCDBAJTHIF-YLJYHZDGSA-N 447.505 4.793 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C2CCC1(C)CC2 1359223152 BUXBDSGMJUTIQD-UHFFFAOYSA-N 437.407 4.883 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC(=O)N(C)C1CCCCC1 1359257533 NAMCZDDEIFUOLE-UHFFFAOYSA-N 447.583 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCN1CC 1359268966 JYFJCDXKLKNYBR-SFHVURJKSA-N 444.421 4.760 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@H](SC)C1 1359345739 PAPOIXALWQLKIC-FQEVSTJZSA-N 441.670 4.922 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CCCS2)c1 1361151854 FUTWEXWPJYNWAQ-XMMPIXPASA-N 439.629 4.890 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@@H]2CCCCO2)c1 1361155777 GHQPADFRCNLNLS-OFVILXPXSA-N 437.588 4.563 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)cc1 1434886498 ZCIMJNDUZWPFLK-INIZCTEOSA-N 432.442 4.926 30 10 IJEE C#C[C@H](NC(=O)[C@H](CCOC)Cc1cccc(Br)c1)c1ccc(Cl)cc1 1436647342 BKSBBTURNAHWBX-XLIONFOSSA-N 434.761 4.788 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1438146235 HCHSVBCBNJYCBI-SNSWJRJYSA-N 440.543 4.888 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 1448825223 YIXQPYVQACAYJK-SFHVURJKSA-N 425.356 4.992 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 1456444825 HDDPKFDPTYROHM-UHFFFAOYSA-N 425.891 4.648 30 10 IJEE C#CC[C@@]1(C(=O)N(C)Cc2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1457744321 BTZYVHFOPUSJJE-NRFANRHFSA-N 425.356 4.745 30 10 IJEE CCC1(CC)Oc2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2O1 1457751697 IEWCBWDFVHCHIW-UHFFFAOYSA-N 431.286 4.626 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C/C(=O)OC)cc2)nnc1-c1cccc(C)c1 1458777123 RUSDXSVJUGZVFF-JLHYYAGUSA-N 435.549 4.797 30 10 IJEE C#CCN(CC)[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 1459604622 ARNQTESMHHGNBY-JTSKRJEESA-N 438.593 4.685 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)OC(C)(C)C 1464616197 RWIVIJUSCISOOH-ZWKOTPCHSA-N 430.545 4.784 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](c1ccccc1)c1cnn(C)c1 1466816918 PSGMLWIDLGNGCE-HXUWFJFHSA-N 441.329 4.659 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](c3ccc4cccnc4n3)C2)s1 1469991217 IVKYJGJXPGSZKM-INIZCTEOSA-N 445.013 4.798 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC)c1ccc(Cl)cc1 1470662959 MDFWUVSINDZJPN-GKVQRAMASA-N 439.003 4.660 30 10 IJEE C=CCn1c(Sc2ncc([N+](=O)[O-])c(C)c2Br)nnc1-c1cccc(C)c1 1472647534 QBYPVTDVMNBLCB-UHFFFAOYSA-N 446.330 4.965 30 10 IJEE C=CCn1c(SC[C@@H]2C[C@H]2C(=O)OCC)nc2scc(-c3cccs3)c2c1=O 1472917118 ADAJFCDFHZXXAU-QWHCGFSZSA-N 432.592 4.664 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](CC)[C@H](O)c2ccccc2F)cc1OC 1474026575 GCXRTCMBQQVYIP-UYAOXDASSA-N 438.337 4.763 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 1478806360 XCSCIVMPUQSSMJ-RSXGOPAZSA-N 441.575 4.747 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1)c1ccc(Br)cc1 1478895487 CUVSMMKWARAYKU-HKUYNNGSSA-N 443.389 4.664 30 10 IJEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H]2CC)ccn1 1503311397 HFFKLKVBVHGPAF-FQEVSTJZSA-N 448.596 4.663 30 10 IJEE COCCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1504764541 AYNHSDRVXKNZTP-QFIPXVFZSA-N 431.943 4.637 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC1(N(C)C)CCCCC1 1507702315 TVIDQYCXHNRQQI-UHFFFAOYSA-N 437.607 4.979 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1507807276 PIYWFMMCLXGSQM-XMSQKQJNSA-N 442.947 4.721 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1507832561 DFKHMKJLZUJYRT-SIKLNZKXSA-N 445.007 4.833 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCSC[C@@H]1C 1507847520 IHISKDJOGSBINC-FQEVSTJZSA-N 444.645 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2OCC(F)(F)F)CC1 1507899485 JEHLODDKTMVPCO-UHFFFAOYSA-N 431.462 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1507912419 HVAYRJPPLNUSMT-UHFFFAOYSA-N 433.600 4.758 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@]1(C)CCCO1 1507998436 GNJYQZDBDXHHRN-XMMPIXPASA-N 433.581 4.564 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1515244858 GJXFMLDRACQUPE-JUXOCIIHSA-N 447.505 4.708 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(OCc3ccccn3)c2)CCCN1C(=O)OC(C)(C)C 1526751302 YYDBTYAILNXULT-RUZDIDTESA-N 437.540 4.945 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1538440784 NVADPQXPPZDYFS-DEOSSOPVSA-N 448.966 4.920 30 10 IJEE C=C1CCC(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)CC1 1538532292 ZGEBTMZXUPCFDH-UHFFFAOYSA-N 449.370 4.935 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC)[C@@H](C)C1 1539095275 BFWSBZJGFMIUNZ-INIZCTEOSA-N 428.005 4.757 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1csc(Br)c1 1539124793 RPYRUSDDAZQAHX-UHFFFAOYSA-N 447.377 4.882 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCCC 1539305613 IWGGVYLEAZIYBX-HSZRJFAPSA-N 438.019 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1539305710 MFUNDTVGIKFPAD-HXUWFJFHSA-N 444.432 4.931 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCC(C)CC1 1539350380 JTGGRYATYNXLLP-FQEVSTJZSA-N 439.673 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1539632923 VTIFHCBFBCDOBA-TZIWHRDSSA-N 443.661 4.997 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1539736073 SBFOLWKEBBBQLT-NHCUHLMSSA-N 440.588 4.714 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(C)C)C1 1539759041 OHXCQJPXWNRVNZ-JOCHJYFZSA-N 426.605 4.939 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@](C)(OC)CC1)c1ccccc1 1539767418 UCWROROPJJIDBJ-DEOSSOPVSA-N 437.613 4.743 30 10 IJEE C=C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@](C)(O)C(C)C)CC1 1539830988 BCTNUAKGCXQWFX-DEOSSOPVSA-N 437.613 4.940 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1539855124 PAXGAMWPPBFHLX-HXUWFJFHSA-N 441.576 4.787 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1539859990 ZRZLSKWQWRMODI-FQEVSTJZSA-N 441.645 4.588 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1539946407 AVXXZKPKDQXVQZ-OAQYLSRUSA-N 433.625 4.956 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2OCCC[C@H]2C1)C(C)C 1540151988 NZWXLUPPMYTISX-ZRBLBEILSA-N 443.680 4.571 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCOC[C@H]1C 1540187950 YIUQWWAUAMYKFB-FYYLOGMGSA-N 434.584 4.678 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CCCCO1 1540913793 TYCRMFYXHFCFME-LJQANCHMSA-N 439.585 4.525 30 10 IJEE CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCC(C)(C)C)c2ccccc2c1=O 1541110907 AFUSGDJABHVYJW-SFHVURJKSA-N 449.603 4.658 30 10 IJEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1)C1CC1 1541510686 GOOFEARUQRIGDS-DEOSSOPVSA-N 435.597 4.801 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CCCN1C(=O)OC(C)(C)C 1544357523 KRBUAJIDAQBOGJ-QFIPXVFZSA-N 430.936 4.810 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 1544741588 YEIOQZJXSPBINC-FQEVSTJZSA-N 429.561 4.501 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)c1ccco1)N(C)C 1545807153 BOFHRXIHAJRBEN-AVRDEDQJSA-N 434.588 4.974 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)s1 1546247569 BNMGEFFECGJLLJ-QRQCRPRQSA-N 443.523 4.671 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C)C(C)C)nc2sc(-c3ccccc3)cc2c1=O 1559352576 TVDOFCRYOZGYSY-OAHLLOKOSA-N 427.595 4.658 30 10 IJEE C=C(C)COc1cc(CNCc2ccn(-c3ccc(Br)cc3)n2)ccc1OC 1560589573 UJEFKVXBZNNVRR-UHFFFAOYSA-N 442.357 4.888 30 10 IJEE COc1cccc(COc2ccc(CN3CCCN(c4ccccc4C#N)CC3)cc2)c1 1560683608 FCEDZQTUGDFXJB-UHFFFAOYSA-N 427.548 4.858 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)C1 1562296676 BZLCERRSIACFME-DLBZAZTESA-N 429.952 4.783 30 10 IJEE C#C[C@H](CC)NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1568624963 WMAHSWCLZPPFLR-WOJBJXKFSA-N 430.548 4.566 30 10 IJEE C=CCN(C(=O)c1cc(C2CC2)nc2ccccc12)[C@@H](Cc1ccccc1)C(=O)OCC 1585016692 ZWCIQTFGWKWDND-VWLOTQADSA-N 428.532 4.915 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H](c1ccccc1)N1CCOC1=O 1585624403 FYXQSDUQTKIKBU-JXFKEZNVSA-N 445.441 4.530 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 1587178882 OFNXVTIZNXRHJG-UHFFFAOYSA-N 446.530 4.798 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOC1CCCCCC1 1587562311 NWXPNIFVILCNSJ-RBUKOAKNSA-N 428.552 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC1CCC(F)(F)CC1 1587673447 OEYOXPIXEPBBST-KRWDZBQOSA-N 432.515 4.539 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCc1nc(C(C)(C)C)cs1 1588205215 HBZUKUQBMRMGBJ-UHFFFAOYSA-N 431.609 4.713 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC(OC(C)(C)C)CC1 1593752547 KZIMUERXLRSLAA-UHFFFAOYSA-N 426.605 4.554 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1593914896 RJKLGOHHBBLZGR-KRWDZBQOSA-N 434.878 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1594461301 PPADTJJTCHTDCE-UHFFFAOYSA-N 433.556 4.610 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1594546268 XQKRZISSRDWURO-NPDDRXJXSA-N 426.630 4.862 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1C(F)(F)C12CCC2 1595282808 KGRYNRCOIYALHX-KRWDZBQOSA-N 440.897 4.812 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 1596955202 YCYGVSGKUVDTBF-OALUTQOASA-N 435.738 4.742 30 10 IJEE Cc1cc(Br)ccc1NC(=O)CCNc1c(Br)cccc1C#N 1611908295 DBFMXWSXMDQAOF-UHFFFAOYSA-N 437.135 4.832 30 10 IJEE COc1ccc(Br)c(CN(C)c2c(C#N)cnc3c(OC)cc(OC)cc23)c1 1612255016 IATWZUDIHFGLRQ-UHFFFAOYSA-N 442.313 4.531 30 10 IJEE CCOC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2C#N)sc(C(C)=O)c1C 1613583918 AQONDESMRDLMGR-UHFFFAOYSA-N 436.942 4.692 30 10 IJEE C=CCn1c(SCC[C@](C#N)(C(C)=O)c2ccccc2)nnc1-c1cccc(OC)c1 1613596454 DVWIRMULQFCHKU-DEOSSOPVSA-N 432.549 4.672 30 10 IJEE COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C[C@H](O)COc2ccc(CC#N)cc2)c1 1616558537 APXHCGCNMUUQOB-SAAIGDAKSA-N 442.559 4.732 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)CCCC1 1619048954 CCIGGZJVOLQYLD-QGZVFWFLSA-N 443.979 4.771 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F)C(C)C 1623627370 GROUEJLASCQIHC-LJQANCHMSA-N 435.494 4.711 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](C)CCc2ccc(F)cc2)nc1C 1627230057 HDSOBQUQJRBQHF-GFCCVEGCSA-N 431.562 4.531 30 10 IJEE CCc1csc(CC2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)n1 1628087020 BKGMFBVXTPYTTI-UHFFFAOYSA-N 435.549 4.844 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1ccccc1 1631090329 HHHNTRABXNWESK-JOCHJYFZSA-N 440.590 4.664 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccnc1SCc1ccc(Br)cc1 1635310235 DXIWCARGKHFOMY-QFBILLFUSA-N 447.398 4.847 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Oc3ccc(C)cc3C)c2)cc1 1635981414 HBHAHMRYDZQWRV-UHFFFAOYSA-N 436.533 4.812 30 10 IJEE C=CC1(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C2CC2)CN(C(=O)OC(C)(C)C)C1 1637064253 IYWBSZABWNMHEP-SFHVURJKSA-N 428.573 4.636 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1637229145 IYPATAYXPNXQDQ-DFBJGRDBSA-N 428.548 4.715 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 1638739156 GTKSLTBIAHXSSN-NRFANRHFSA-N 449.389 4.916 30 10 IJEE C/C(=C/C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccccc1C(F)(F)F 1639699048 UZQYYCVROBNMOM-QINSGFPZSA-N 433.861 4.983 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)Cc2cc(Br)cs2)n(C2CCCC2)c1C 1641515339 FXEJOOQOXZAXDA-UHFFFAOYSA-N 449.418 4.986 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(COc2ccccc2)cs1 1642732888 PYEONFYZEOATBT-MRXNPFEDSA-N 437.949 4.697 30 10 IJEE CC(C)(COc1ncccc1Br)Nc1cc(Br)c(C#N)cc1F 1651651787 AIWTZOLJHQMZQW-UHFFFAOYSA-N 443.114 4.887 30 10 IJEE CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)S(=O)(=O)N(C)C[C@@H](C)C#N 1654231515 HRZWXCPQWOXFAG-KRWDZBQOSA-N 433.643 4.871 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 1655297884 HGLNTBOOVDFXNZ-UHFFFAOYSA-N 446.853 4.970 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCc3nc(C)ncc32)cc1OCC 1656449327 FOUCQYXRJKMWDW-GOSISDBHSA-N 432.362 4.678 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCC/C=C\c2ccc(Br)cc2)cc1 1658516568 SIRUYTYZXBAKFS-HYXAFXHYSA-N 428.330 4.590 30 10 IJEE CC(=O)N(c1nc(CN2CCc3c(CC#N)cccc3C2)cs1)c1ccc(F)cc1F 1659779003 JLXKYCQASLWKQU-UHFFFAOYSA-N 438.503 4.730 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](Oc2cccc(F)c2)C1 1659820854 HYHDMIJHOJNZPP-QAPCUYQASA-N 427.545 4.508 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC2CCCCC2)c2ccccc2)c1 1661245725 DZNGMNDHDQMSNP-HSZRJFAPSA-N 426.582 4.592 30 10 IJEE C=CCC1(NS(=O)(=O)c2scc(Br)c2Br)CCCCC1 1661992583 BGBPRKJUXDDAHK-UHFFFAOYSA-N 443.226 4.830 30 10 IJEE C#CCCCS(=O)(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1664305963 LJSJYUWSLNIRIZ-UHFFFAOYSA-N 440.334 4.556 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)C(C)(C)C 1667157140 SNDLFIOZBYZJFI-LJQANCHMSA-N 442.357 4.549 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccccc2OC)CCC1)c1ccc(Br)cc1 1671510146 URJIRBRHGFEKQW-IBGZPJMESA-N 427.342 4.553 30 10 IJEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1CCCc2ccccc21 1673082064 PWULLBIZWWBQMR-DEOSSOPVSA-N 436.577 4.948 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2ccc(Oc3ccc(F)c(C)c3)cc2Cl)C1 1676035610 RZPNYSJHMXYYPI-IBGZPJMESA-N 443.950 4.819 30 10 IJEE C#CCN(C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F)C1CCCCC1 1677513778 SEJHEXRQTZQVTB-UHFFFAOYSA-N 432.490 4.985 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1679560987 UUHVBMOPBRLYOZ-MISYRCLQSA-N 437.506 4.631 30 10 IJEE C#CCN(C(=O)NCCCSCC(C)C)[C@@H]1CCOc2ccc(Br)cc21 1680675059 HIDGUSLKTWCDGQ-GOSISDBHSA-N 439.419 4.697 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)c1ccc(Br)cc1Cl 1680700158 LIPUPSRRJFINOT-SUMWQHHRSA-N 429.786 4.661 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(C(F)(F)F)cc1 1680854080 BPBPOGGGQFFESJ-WOJBJXKFSA-N 449.448 4.957 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc(OC)c1OC 1683367254 LHWZANXLOMBLAJ-UHFFFAOYSA-N 449.576 4.824 30 10 IJEE C#CCN(C(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1683477302 POIYDQRSNKTECQ-AUSIDOKSSA-N 439.600 4.744 30 10 IJEE C#CCN(C(=O)NCC(C)(C)[C@H]1CCCCO1)[C@H]1CCOc2ccc(Br)cc21 1684376663 FUAGVYUOIUOFCD-AZUAARDMSA-N 449.389 4.513 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC[C@@H](C)C1 1689847907 KWDCSELNVCIGCO-NHCUHLMSSA-N 446.599 4.570 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(Cc2ccsc2)CC1 1689913798 VMAVALXICCGDTR-QHCPKHFHSA-N 433.625 4.617 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OC)[C@H](C)CC 1690037488 WPNGGHQBGWEAED-ZVDOUQERSA-N 438.641 4.655 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)CC(C)(C)C1 1690159874 PIOJCGXGPFKRQH-GOSISDBHSA-N 434.613 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccc(OCc2ccccn2)cc1 1690190540 YAVBUVLHRJXFDG-AREMUKBSSA-N 429.568 4.590 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 1690224214 GUSYRETVIJRBSF-ZDUSSCGKSA-N 445.283 4.641 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC1 1690232307 GXZDWIFPISLKBA-UHFFFAOYSA-N 432.149 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC)C1 1690238268 HFNDBOZCJIIDIM-NRSPTQNISA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1C(C)C 1690307123 POIPUMGWIORLBJ-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1690365902 KKXCIIDMMYCUEB-LJQANCHMSA-N 433.547 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1690439580 JUZLMJOUXOWYKP-UHFFFAOYSA-N 442.604 4.862 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSC(C)(C)C1 1690454143 VUMZIUBFXGANAD-UHFFFAOYSA-N 446.617 4.659 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccccn2)CC1 1690466153 ZIDLREBRGOVFBL-UHFFFAOYSA-N 436.991 4.600 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1OC 1690586875 VLFJCKQTPOANAA-HKUYNNGSSA-N 431.378 4.701 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCO[C@H](c3ccc(Cl)s3)C2)cc1 1690680513 UBTQODMERQKSHY-SFHVURJKSA-N 444.988 4.746 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1)c1ccsc1 1696595162 BBQCUGSYVNAIPO-NRFANRHFSA-N 438.576 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1cccnc1Oc1cccc(F)c1 1705675084 XCMYFCNBNUJJAI-RUZDIDTESA-N 433.531 4.843 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@](C)(CC)C1 1705748183 HCGKXVZJBLXMOP-GOSISDBHSA-N 443.748 4.605 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1705783240 YHWICUATHSTQQG-IBVKSMDESA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC)[C@H](C)C1 1705787860 HCQUBCDBMRRVJK-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705789050 XASJKBAXBHXEDD-KRWDZBQOSA-N 429.565 4.552 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705803433 QJMLAANRVCEFAQ-UHFFFAOYSA-N 436.629 4.643 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1705820189 DWBAZWBXVSGZMB-IBGZPJMESA-N 433.394 4.783 30 10 IJEE C=CCCOCCn1c(N2CCC[C@H]2c2ccc(OC)c(OC)c2)nnc1C(C)(C)C 1705833198 XLUKXTSNBRMLHV-IBGZPJMESA-N 428.577 4.527 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C)cc1OC 1705880483 GOGDERVBZFOUDV-JOCHJYFZSA-N 436.556 4.713 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1722415404 QTZPEBDQOHTCLF-OFNKIYASSA-N 425.646 4.615 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 1722508668 KBUGGYRMKDDNQF-LAUBAEHRSA-N 444.004 4.596 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCC2)C1 1722528600 LAWRERKLROURHG-UHFFFAOYSA-N 437.371 4.604 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(OC)C2CC2)CC1 1722562433 AAXUIXRGPFLSRW-OAQYLSRUSA-N 449.368 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC1CCN(CCC)CC1 1722667110 WHPXVRABWWFFTM-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1722733421 ACOOADFWQTXKCD-MAUKXSAKSA-N 440.535 4.583 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CCC1 1727969602 BQLVANFOHFUMLU-LJQANCHMSA-N 437.588 4.703 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C(CC)CC)no1 1740557400 MPJPFEXAWMOQDW-INIZCTEOSA-N 441.963 4.908 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1740576586 AMGQSKGPSSJXJT-HXUWFJFHSA-N 433.383 4.919 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1740729535 JBBYSHOFWQWCJF-AREMUKBSSA-N 428.584 4.658 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1740743677 BCMYBCJKUGCZKG-MRXNPFEDSA-N 435.366 4.610 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCN1CC 1740766356 FZYCPNKQXZHIGJ-WOJBJXKFSA-N 429.584 4.834 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1nc(C(C)(C)C)cs1 1740855197 FEHRZMYKTRHGNQ-UHFFFAOYSA-N 425.606 4.720 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(CC)C[C@H]1CCCO1 1740869622 SSFOQTJYQLZPJQ-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC1CCN(CCC(C)C)CC1 1740900865 AMMQJQAONHDXNM-UHFFFAOYSA-N 431.575 4.527 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCn2ccnc2C1 1740927250 BNDAWELIPOSCDX-INIZCTEOSA-N 443.382 4.889 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740943537 VEYUWPAREMGRAN-HMXCVIKNSA-N 439.604 4.746 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)CN2CCCCC2)C1 1740976493 XBVIOWCBZJGEPQ-KNQAVFIVSA-N 444.023 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)N(CC)CC 1748655657 DEIOJYGSIWAIGH-WIYYLYMNSA-N 436.991 4.535 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccc(F)c1)C1CC1 1749026894 SBHSXZDALKQWCF-UHFFFAOYSA-N 441.963 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1CCCCO1 1749158123 CPUWAPFQGOEASR-UGKGYDQZSA-N 426.561 4.542 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1nccc(C(F)F)n1 1749554329 RIBWPYYGFBSIEN-KRWDZBQOSA-N 446.527 4.550 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749579890 YKCFSMVHEYHRDZ-AJTFRIOCSA-N 446.643 4.970 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCSC1(C)C 1749597384 DXZZGUIUNAXVNC-QGZVFWFLSA-N 425.602 4.597 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1nccs1 1760130887 QVRBPKHFXGGDPV-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(CC)s1 1760212622 YXDCVAVCJLZLBX-UHFFFAOYSA-N 428.605 4.883 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1Cc1sccc1C 1760299394 SVPRCZOWWYPBNI-HSZRJFAPSA-N 438.622 4.989 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1760317133 AYSNZMDJPFPIDX-AZUAARDMSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@H](CC)C1 1760325503 QDMHPUCLPFQOKM-UZKOGDIHSA-N 447.048 4.835 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCSC2)CC1 1760396878 JXVSKQJAZZNEDC-UYAOXDASSA-N 442.629 4.972 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOC(C)C)CC1 1760398724 JYEQQYOYFKZHNB-UHFFFAOYSA-N 433.394 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760409600 ACLGMKYBAYBDAN-FQEVSTJZSA-N 432.616 4.730 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)C)CC1 1760431977 DINVIHBEMQYNJE-IBGZPJMESA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1760484553 DDFLKXYIKXCIMF-LJQANCHMSA-N 443.567 4.791 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCC(C)(C)C)C1 1760537802 QKISXQTWIGCNPZ-HXUWFJFHSA-N 434.588 4.943 30 10 IJEE CCCCCCCCCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1C(=O)O 1857891153 OMNYGRSSARXWMM-UHFFFAOYSA-N 433.501 4.646 30 10 IJEE CC(=O)Nc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)c1 1860461585 HTCYIGFVDPMYTM-UHFFFAOYSA-N 432.867 4.675 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1ccc(F)cc1F 1862411815 PQYVRZKCLVWTIP-LJQANCHMSA-N 429.419 4.944 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC)c(O)c1 1862436485 UWAPDMDFHDMWFT-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC)cc1 1862472798 VGFNHJWPCJMHSL-IBGZPJMESA-N 444.325 4.836 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(Br)c1 1862496674 PXGRDAQHGDKXKH-IBGZPJMESA-N 426.310 4.830 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1 1862508140 XPOBPHSNSCRIBA-JOCHJYFZSA-N 425.500 4.919 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c(OCC)c1 1862596824 PUIORZZVJBHDAV-JOCHJYFZSA-N 439.508 4.655 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862599157 CVWCFIOJNHEOIH-LJQANCHMSA-N 444.871 4.578 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862925764 FGRYXOBFGHKBGF-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(F)cc3F)C2=O)c1 1863078496 RIUXHOVMWKOFSO-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2c[nH]c3ccccc23)C1=O 1863817497 YKEHQTNJYZEDSQ-UYTITELCSA-N 429.564 4.628 30 10 IJEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868221418 LQKAEHAMQFCILP-LJQANCHMSA-N 427.508 4.938 30 10 IJEE CCCCCCCOc1cn(CCCN2CCOCC2)c(CN(CC)CCCC)cc1=O 1870413112 RVMVGXZQTJFDEJ-UHFFFAOYSA-N 449.680 4.542 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(CC)CC1 1870468762 SFWSIXYBRZWIMS-UHFFFAOYSA-N 439.644 4.925 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2C1=O 1871380728 DSTPSJDTMJZMRG-UUYOSTAYSA-N 436.847 4.949 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)cc(C)c3C2=O)c1 1871381872 GVVYBTJIWZOVFQ-QRVIBDJDSA-N 444.439 4.764 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC[C@H]3CCCO3)ccc2C1=O 1871449561 QKFAQDNOCPMHOA-HSGPEQJXSA-N 431.282 4.632 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)OCCOc4ccccc4)ccc3C2=O)c1 1871461671 XOQYRJMINQDNHP-IWIPYMOSSA-N 430.456 4.612 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1871764695 NQZPJEVULWGWAP-XMMPIXPASA-N 434.561 4.942 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871888958 AIEGBOJOIBEDTO-DYESRHJHSA-N 434.989 4.960 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872071048 HMOHGIHZPZWGHZ-HSZRJFAPSA-N 438.524 4.691 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(N(C)C)cc1)S(=O)(=O)c1cccs1 1872400606 VUVCOZNUWLEFOD-FQEVSTJZSA-N 449.642 4.578 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCC)c(OCC)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330471 ISXGJULKADMFCC-UHFFFAOYSA-N 434.536 4.787 30 10 IJEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3COc3ccccc3)cc2)cc1 1873502541 NEQBKSHEXQASII-MFKUBSTISA-N 430.533 4.915 30 10 IJEE O=c1c(Br)c(N/N=C/c2ccccc2Cl)cnn1-c1ccc(Cl)cc1 1873526925 CFIVKCUGWDLUHG-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(NCCC3=CCCCC3)ncnc21 1873639551 YUVRXXIAOSNDFS-UHFFFAOYSA-N 445.523 4.901 30 10 IJEE CCCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(CCCOC(C)C)C2=O 1873935695 WFEHJKSPPWAGPD-UHFFFAOYSA-N 430.589 4.968 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1cc2cc(OC)ccc2n1C 1873935765 YOSKSKVGAHQXAY-OAQYLSRUSA-N 429.605 4.952 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(OC)c(O)c1 1874243780 ARJYMJRXJSDVFD-ZVHZXABRSA-N 426.586 4.745 30 10 IJEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)c1C 1874323169 BDDFFNGVIIJZOW-MFKUBSTISA-N 431.565 4.987 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(O)cc1 1874454528 INJRWQNSEXUOTG-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccccc1F 1874487804 RYEMGRIFGRNYOJ-AFUMVMLFSA-N 439.560 4.791 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1874700619 CMRMHPNLAROYRY-ZRDIBKRKSA-N 448.471 4.836 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875109034 SLROEYXKFWCPGT-NMXNWIABSA-N 436.504 4.721 30 10 IJEE C#C[C@H](C)N1C(=O)NC(=N)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875686963 NMYXUHPYYNQXJJ-DFBJGRDBSA-N 439.515 4.910 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(F)cc1Br 1898224649 LCLIYSJHRJDTLA-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE N#Cc1cnc(Nc2ccc(I)c(Br)c2)c(Cl)c1 1917231250 VBNMIEFWIXKWDP-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CSCCN(C(=O)OC(C)(C)C)C1 1922111700 IVHVVDKSQDSIQL-YADHBBJMSA-N 434.646 4.728 30 10 IJEE C#CC[C@H](C[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2076106915 MOYFOHYRLOSOIC-DSNGMDLFSA-N 441.660 4.820 30 10 IJEE C=CCN(CCOc1ncc(Br)cc1C(F)(F)F)C(=O)OC(C)(C)C 2078080178 MTKSUGQGMIPUKN-UHFFFAOYSA-N 425.245 4.665 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079979160 LZHZAFYPIXAORH-QGZVFWFLSA-N 447.320 4.727 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(C)cc1Br 2116838286 GABZKHSBKRMSFE-WMZOPIPTSA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1c(Cl)cc(F)cc1Br 2124445510 ACRLMRQKBPEYRY-CYBMUJFWSA-N 448.720 4.767 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(F)c(Br)cc2C)C1 2126627886 RRLPKEZZYHBCOL-UHFFFAOYSA-N 427.314 4.696 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)CN1Cc1ccc(Br)cc1C#N 2174563146 RUGPOOGAPUJFKN-RTBURBONSA-N 436.394 4.931 30 10 IJEE C[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)[C@H]1CCNC(=O)OC(C)(C)C 2174766292 VQRBQDMILRKROI-ZFWWWQNUSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181102310 DDVXCYSWPJKKBH-OAHLLOKOSA-N 436.350 4.542 30 10 IJEE CC[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CCCCN1C(=O)OC(C)(C)C 2181109659 GZTALFQUCNPVRS-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE CCC1(C#N)CCN(C(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CC1 2182942877 PUKVYURAOJRWCO-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC2(CCC2)N(c2ccc(C#N)c(Br)c2F)C1 2193439261 MHINSLFSKQOGRH-AWEZNQCLSA-N 438.341 4.876 30 10 IJEE CC1(C)CCC(CNC(=O)OC(C)(C)C)(Oc2cc(Br)cnc2C#N)CC1 2198815077 HWSMXYOUDMSWAB-UHFFFAOYSA-N 438.366 4.958 30 10 IJEE O=C(NC[C@@H](Nc1ccc([C@H](F)C(F)(F)F)cn1)C(F)(F)F)OCc1ccccc1 2199321597 YZCTXPZAUQLFCC-HIFRSBDPSA-N 439.331 4.924 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCC(=O)Nc2ccc(Br)c(C#N)c2)C1 2203262400 QJVOLXNRMYJBGH-HIFRSBDPSA-N 436.350 4.733 30 10 IJEE C#CCCN(CC(C)(C)C)C(=O)c1ccc(Br)cc1I 2207025460 JWJUWSGTBUFNDR-UHFFFAOYSA-N 448.142 4.565 30 10 IJEE C=CC[C@@](C)(O)[C@@H](NC)c1sc(Br)c(Br)c1Br 2216393829 MIEOIVDQZGTVNW-GXSJLCMTSA-N 448.018 4.623 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C 2221710749 ADWKDHGUDUVZRG-ZEQRLZLVSA-N 439.600 4.659 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)C#Cc2ccccc2F)C1 2255253238 HXAOFFQCGPXAAQ-AREMUKBSSA-N 437.511 4.590 30 10 IJEE CN(Cc1ccccc1I)c1cc(Br)ccc1C#N 2265531554 ZEEZTFCKYLKXKL-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2296289641 TYWZEZXCQJJOMI-AZUAARDMSA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 2296307266 RSLLJMMAJDSYLF-SFGWALBWSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 2296308423 IKHGPQCRTCYPLQ-XUVXKRRUSA-N 435.406 4.862 30 10 IJEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1cc(OC)c(OC)cc1OC)C2=O 2296604922 HASGYEPKNZDRBL-UHFFFAOYSA-N 441.524 4.656 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2306618780 WKNCQEJHZURLLS-DNRQZRRGSA-N 428.573 4.555 30 10 IJEE CSC1(C#CC(=O)c2cc(I)ccc2Br)CCC1 2314706584 MVQIXFMTNYPRDF-UHFFFAOYSA-N 435.124 4.526 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)o1 2320847635 OGJMIGXSKHONEZ-UHFFFAOYSA-N 430.917 4.753 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2320955915 CDYKHCJBYHDWFE-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1c[nH]c2ccccc12 2320990672 MVKDUFGFRJEYOL-UHFFFAOYSA-N 432.553 4.552 30 10 IJEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C(=O)OC)o2)cc1 2321143283 BVPVKVBNNIUKJU-UHFFFAOYSA-N 442.541 4.710 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cc(OC)cc(OC)c3)ccc2C1=O 2322799071 HDORABARYVKPKX-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1cccc(C=C2Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)c1 2323395705 XFQIVXCKSHTHSV-UHFFFAOYSA-N 429.428 4.976 30 10 IJEE COc1cc(C=NNc2nc(C)c(C(C)=O)s2)cc(OC)c1OCc1ccccc1 2323874350 NVQUCKRRJOHPND-UHFFFAOYSA-N 425.510 4.696 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O)C(=O)Nc1ccccc1 2324400474 HYXJEYXOXJPRMV-QGZVFWFLSA-N 428.488 4.775 30 10 IJEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324406370 NGXGGTNTYKSTEI-INIZCTEOSA-N 444.443 4.925 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c(OC)c1 2325684174 UPOMSYHHPZHNNS-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1cccc(OCCC)c1 2326426203 FKBVOHYMTRXLHE-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2ccc(O)c(Br)c2)c1 2326589426 NVCOJLIVNGOOGY-UHFFFAOYSA-N 431.359 4.846 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccco1 2328280245 MBDZDLCYYGHYJO-UHFFFAOYSA-N 438.484 4.772 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)cc1 2328578119 DWMKOUKUDCJURN-UHFFFAOYSA-N 443.576 4.684 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330119093 PIYYDBDSQVUTSG-ZDUSSCGKSA-N 449.363 4.884 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1N=Cc1c(F)cccc1Cl 2330619621 QPTHARLMZILJQY-UHFFFAOYSA-N 438.937 4.727 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)c1 2330645915 RBDFEYJPDABJPW-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Br)cc1 2331245729 OEWOXATVILLBQU-UHFFFAOYSA-N 445.386 4.712 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C(C)C)cc1 2331332714 AWPNBXYWLZGGMO-UHFFFAOYSA-N 442.614 4.814 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2331362255 OLOZLCDWFJCDCN-UHFFFAOYSA-N 432.553 4.670 30 10 IJEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)[C@H]1CCCO1 2331645554 MOFYNMCHUQKLMM-OAQYLSRUSA-N 438.520 4.918 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1 2331876922 JHLDXNZZDHVUSJ-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE COc1cc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(Br)cn1 2336977415 KAUSKUDPIVAVBU-OAHLLOKOSA-N 438.347 4.916 30 10 IJEE N#Cc1cc(Br)ccc1COCc1cccc(I)c1 2341794727 IXNLQIZVLAWNOX-UHFFFAOYSA-N 428.067 4.642 30 10 IJEE CC[C@H](NCCc1nccn1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363838729 MZLBBWMJQPWCAN-DEOSSOPVSA-N 445.416 4.514 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CC[C@]4(CCN(Cc5ccccc5)C4)C3)nc2)OC1(C)C 2365105674 XUSIIANDOIJFSH-MHZLTWQESA-N 445.416 4.829 30 10 IJEE COc1cccc(/C=N/Nc2nnc(SCCC(=O)Nc3cccc4ccccc34)[nH]2)c1 21040347 VNNDPQXKFACBIH-BUVRLJJBSA-N 446.536 4.533 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)cc1 41355101 RTGXHKADMNKBNS-HMAPJEAMSA-N 428.440 4.925 30 10 IJEE Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\C23CC4CC(CC(C4)C2)C3)NC1=O 72434624 ALKYWJJEMRWADB-IYZRDUGGSA-N 431.989 4.533 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@H]1c1ccccc1 97437064 SUZNQNRXMHUOAS-SYKNXGGPSA-N 425.440 4.567 30 10 IJEE O=C1/C(=N\Nc2ncnc3sc4c(c23)CCCC4)c2ccccc2N1Cc1ccccc1 103926118 XCLXMQAUMHLJPB-SLMZUGIISA-N 439.544 4.933 30 10 IJEE Cc1cc(/C=N\[C@H](CO)[C@H](O)c2cccc(O)c2)c(C)n1-c1cc(Cl)ccc1Cl 105893500 FKNSKBGQKBTFRA-KVKPUHJXSA-N 433.335 4.620 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)cc1 169963345 XCDXXQNQOMOPEI-HSZRJFAPSA-N 436.423 4.793 30 10 IJEE Cn1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085737 RCOGHERYJTYGQI-JOCHJYFZSA-N 445.475 4.607 30 10 IJEE CC(C)(C)Oc1ccc(CN2CC(=O)C(c3nc(-c4ccc(F)cc4)cs3)=C2N)cc1 170179480 JSKUXIIISUVHKL-UHFFFAOYSA-N 437.540 4.839 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccnc2)cc1C 170197549 GIZYRYZHGPJPRI-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCO2 170256592 QWAXXBBMPUGBJJ-QHCPKHFHSA-N 428.488 4.624 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)cc1C 170271906 IZSQPNFEPWGQGL-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(O)cc3)sc2c1 170451450 ZBAZNLVRRFPYFF-FQEVSTJZSA-N 446.484 4.940 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1nc(O)c2ccccc2n1 489670428 GLWIFIDINCCKIE-INIZCTEOSA-N 433.537 4.854 30 10 IJEE C=CCn1c(SC[C@@H](O)COc2c(Cl)cccc2Cl)nnc1-c1ccoc1C 515321042 FDQXXYJSJKHMBO-ZDUSSCGKSA-N 440.352 4.871 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526520688 JFTQTYQTOBOFFZ-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CS(=O)(=O)c1ccc(-c2nc(CSc3nc(-c4ccccc4)ccc3C#N)co2)cc1 534199779 SIKNFIARYVTPKJ-UHFFFAOYSA-N 447.541 4.971 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 558963567 OTFIJDQBBWIKAN-UNMCSNQZSA-N 433.512 4.644 30 10 IJEE N#C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 568590071 JGVWFXZJWGWZPR-GFCCVEGCSA-N 433.264 4.507 30 10 IJEE N#Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(c2cccc(F)c2)[C@@H]3c2ccccc2)cc1 581800106 DMSGTEVITJYGNN-XMMPIXPASA-N 439.490 4.708 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(=O)O)cc2)cc1 586252128 STTXRCMHHLVJST-UHFFFAOYSA-N 448.544 4.949 30 10 IJEE C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](NP(=O)(OCC)OCC)c1ccnc2ccccc12 642771831 JFCVDRVNJCMKJF-AAUAJYIVSA-N 429.501 4.943 30 10 IJEE N#Cc1ccc2nc(S)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 706701087 VTAQFLZWTBLZLI-UHFFFAOYSA-N 440.572 4.668 30 10 IJEE C[C@H](OC(=O)[C@@H](C)CSc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 756711955 BRQSOPCTRHRMEF-STQMWFEESA-N 432.542 4.546 30 10 IJEE C[C@@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl)c1ccccc1 762439762 HHESPDFNIRFLFP-OAHLLOKOSA-O 436.944 4.767 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=S 764971780 KWYZVHIPNNUDCA-LJQANCHMSA-N 435.553 4.575 30 10 IJEE N#C[C@H](C(=O)CCc1cc2ccccc2nc1O)C(=O)Nc1ccc(SC(F)F)cc1 767431660 GONNDTGHNMDSDR-QGZVFWFLSA-N 441.459 4.535 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)c1ccccc1 767947030 IHVNIRMWWRFYHG-QFIPXVFZSA-N 446.551 4.941 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](c2ccccc2)[C@H](C)C1 800773836 NFXMGYBQKDHZMB-NFBKMPQASA-N 445.567 4.521 30 10 IJEE COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C\c2ccc(Br)cc2)C1=O 1084310536 YNQFMYCYUBQWLV-UNOMPAQXSA-N 426.310 4.943 30 10 IJEE C=CCN(C(=O)CCn1c(=O)n(CCC)c2ccccc21)c1nc(-c2ccccc2)cs1 1124353417 WKGWIAPTICPIOI-UHFFFAOYSA-N 446.576 4.946 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 1129714882 NJSRVCHXDMWGJE-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE C#CCN(CC(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1)C(=O)OC(C)(C)C 1137144242 OYVYNXXSICBUDS-UHFFFAOYSA-N 439.383 4.645 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C(C)C)C1 1137559586 ABOCYXNCARRIIO-VWLOTQADSA-N 432.564 4.974 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCN(CCc2ccccc2)C1 1142766753 HSPWXDYGZVPJBE-UGKGYDQZSA-N 443.513 4.901 30 10 IJEE C=CCCSCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 1165657858 JMXWQUYUNZFIQU-UHFFFAOYSA-N 446.638 4.760 30 10 IJEE O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cc(F)ccc1O 1166452659 DAYSKKKTYKGTPU-UHFFFAOYSA-N 427.272 4.666 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F 1185213005 CNQXOIGQGBSOQF-UHFFFAOYSA-N 434.277 4.845 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](CCCc2ccccc2)c2ccccc2)c1 1191664761 ZEYALOSIBWGTSN-RUZDIDTESA-N 425.532 4.670 30 10 IJEE CCOc1ccccc1Oc1ccc(CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)cn1 1205941532 AGZQINZXCYGPFC-UHFFFAOYSA-N 445.523 4.840 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4ccc(Cl)c(F)c4)C[C@@H]3C)cc21 1209774839 RHBDAOPDBJXUFN-HNNXBMFYSA-N 427.911 4.757 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1221846072 QUJSVKFZEGVIMN-STZQEDGTSA-N 434.024 4.926 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccc(C)c(C)c1 1264255378 UJNQZUMCMXIULC-YADHBBJMSA-N 449.469 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nccc(C(F)F)n1 1286567231 KYUZTQZRJRAWGM-SFHVURJKSA-N 426.515 4.998 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCN(CC)C1 1286569330 MRLKLODLXNDTOZ-SFHVURJKSA-N 446.437 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1cnccc1OC 1286571759 UBZYGTYCIAFWJN-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCc2oncc2C1 1286585164 CFDZSOYKKCHERF-INIZCTEOSA-N 427.936 4.815 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286612295 CMHVIUGHDVVXTB-KDURUIRLSA-N 448.558 4.740 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(CC(C)C)c2C)CC1 1286664488 YCXHDXYWMHIYQK-UHFFFAOYSA-N 448.615 4.777 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@H]1CC 1286687016 LDVVAAISPVSWEK-RTBURBONSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCO1 1286750212 UAYGCECBIYLZEE-HXUWFJFHSA-N 438.597 4.907 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCSC(C)C)cc1C 1289799196 HCLZVZUUUZISJZ-UHFFFAOYSA-N 427.618 4.746 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CCOCC1 1290020562 QAEUNCASFXGKSE-UHFFFAOYSA-N 448.972 4.761 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 1294180491 KGBRQZYVUVEMPK-UHFFFAOYSA-N 441.462 4.951 30 10 IJEE C=C[C@@H](C)ONC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1300210616 JDVBUAFXIJLYTL-QGZVFWFLSA-N 436.581 4.946 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1300446751 SADVYFCNCHBECS-NQIIRXRSSA-N 440.016 4.813 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](OC)C(C)(C)C)CC1 1301074592 DBCZHYZTQRTLJJ-NRFANRHFSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCCC2)C1 1301160688 VJHAZRMSXNWZBS-UHFFFAOYSA-N 427.618 4.642 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCC1CCOCC1 1301308250 BZHBXQFHYOLQQC-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1Cc1ccnc(C(F)(F)F)c1 1301349301 IISNOLIKRVRTAJ-UHFFFAOYSA-N 427.474 4.885 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc([C@@H](C)O)cc1 1301364940 CQMCATFWJUYADR-LJQANCHMSA-N 445.592 4.620 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCCCC1 1310922940 CDFCDWVZBCSEJJ-LBPRGKRZSA-N 429.380 4.972 30 10 IJEE C=CCc1cc(C(=O)N(CC)CCOc2ccc(Br)cc2)cc(OC)c1OC 1354559250 ZYCAKKKAYSTPRO-UHFFFAOYSA-N 448.357 4.736 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN1CCCC1 1358872585 WGRIMIQEHSRIKL-RTBURBONSA-N 444.023 4.651 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@H]2CCCCC2(F)F)c1 1358901736 VJUBYMHTYTUJNW-IEBWSBKVSA-N 443.542 4.673 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(COC)CC1 1358916595 QLJLVOVJGSXHGM-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC[C@H](OCC)C(C)C 1359003449 LKTGULWCRBXFBF-HNNXBMFYSA-N 439.423 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC(F)(F)F 1359065301 NHJACMJARMCIKT-JOCHJYFZSA-N 443.473 4.720 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccc(F)cc1 1359157915 XZPXYTRAHYDXLE-MLGOLLRUSA-N 438.841 4.830 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCSC2)CC1 1359168380 RPDMQAZBCHTXFP-INIZCTEOSA-N 449.418 4.529 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1359175916 FTKJQSCUBXXYMB-UHFFFAOYSA-N 446.599 4.646 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1359227567 FJWLSXUZTLXXTP-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(C)nc(N2CCCC2)c1 1359232621 ZFVYXMSFIUFPOM-QHCPKHFHSA-N 430.600 4.794 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1CC1(O)CCCCCC1 1359255408 XLIJLLHNMOOYQE-UHFFFAOYSA-N 426.605 4.763 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cc(C)on1 1359278606 AHNZVNQMUXZCGB-UHFFFAOYSA-N 443.960 4.797 30 10 IJEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)Cc2cccs2)CC1 1360497331 HCPDQDCTLQNCMH-LJQANCHMSA-N 448.640 4.724 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c1 1361103422 AFSBNCVKQVISQK-JOCHJYFZSA-N 428.557 4.620 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2ccc3c(c2)OC(F)(F)O3)s1 1437267876 JTLZFEWTYQBBME-UHFFFAOYSA-N 446.928 4.519 30 10 IJEE C=CCn1c(SCC(=O)c2c[nH]c3ncc(Br)cc23)nc2ccccc21 1458760873 VXRNGRZCJWJSBK-UHFFFAOYSA-N 427.327 4.836 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccccc2-c2ccc(Cl)cc2)c1 1459846823 ZAGPVPLLPJUNJO-KRWDZBQOSA-N 431.923 4.987 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1464648608 HRXLCBRGUQDWMK-VWLOTQADSA-N 428.532 4.511 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1465455515 BBBLCBLKBDBOET-FKBYEOEOSA-N 430.589 4.829 30 10 IJEE COc1ccc(C2=NO[C@@H](CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)cc1 1465608291 FQBVCYJLJOTNKU-HSZRJFAPSA-N 442.475 4.674 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1467932469 MPPHEFVMKDVOED-SFHVURJKSA-N 440.540 4.606 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCOc2ccc(Br)cc21 1468422618 BOWQPAURFMPJQR-LJCCNALRSA-N 431.374 4.744 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)c1 1468963393 AUTZEZDSNCIROK-UHFFFAOYSA-N 438.281 4.751 30 10 IJEE C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 1470286903 UDCIYIZRDSAVQL-UHFFFAOYSA-N 446.878 4.808 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 1470656369 AYTKEZJGAQJSMF-ONTIZHBOSA-N 443.563 4.569 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1 1470662813 KNHXZQRJDBKODS-LJQANCHMSA-N 431.964 4.589 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1507576516 XDOMBCLZGFUFBG-XZOQPEGZSA-N 435.616 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(SCC)c1 1507664194 PFCDGGFKRFXNIG-UHFFFAOYSA-N 435.984 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1(OC)CCC1 1507766245 YTZCDRRNVHCNBV-WZONZLPQSA-N 426.536 4.509 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(OC(F)F)cc2)nnc1C(C)(C)C 1507810743 LULWJRACZOUHGO-PKOBYXMFSA-N 434.531 4.795 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC[C@@H]2CCCCO2)CC1 1507881556 ODSPIELHVPAYHP-RTWAWAEBSA-N 440.588 4.932 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1SCCc2ccccc21 1507928024 BSBUFKDVXYQIPV-IRLDBZIGSA-N 426.630 4.995 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC=C(Br)C1 1507958912 KIFDRCJORKXTAB-UHFFFAOYSA-N 431.378 4.589 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1507959768 HZJHGGKCXABONE-LJQANCHMSA-N 440.979 4.538 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1508004662 PAXFUYUQBJOQQP-FYYLOGMGSA-N 444.627 4.962 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@]1(C)CCCO1 1508011598 TZHWHGRJTUWTHQ-QHCPKHFHSA-N 442.560 4.819 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(=C)C 1508023192 BBNJCGDLQKYDGP-ZCYQVOJMSA-N 443.595 4.865 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@H]2CCCCO2)C1 1508118847 XMTNHRPDVBEEOM-RTBURBONSA-N 448.970 4.868 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1508160840 XQCUYYGAJIYFCE-IRXDYDNUSA-N 435.663 4.964 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1 1517301781 IZHHUMXZMBNJTP-UHFFFAOYSA-N 445.466 4.921 30 10 IJEE C=CC(C)(C)CC(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1520088170 PCWUIFQFSIOLBX-UHFFFAOYSA-N 430.545 4.784 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)n1 1525225389 PULZZZOWQLPGFY-UHFFFAOYSA-N 437.547 4.648 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)c1 1528137376 DZBRDDXXCYPZHV-JOCHJYFZSA-N 440.540 4.725 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2ccc3cc(C(=O)OC)oc3c2)s1 1529424470 DYPIEIFGIMEGGZ-UHFFFAOYSA-N 437.926 4.977 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OC 1530855601 QGZCQYKLJNRCKL-YLJYHZDGSA-N 446.588 4.588 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)CCCN1C(=O)OC(C)(C)C 1531593379 UIJCYQGCWBUHRA-NBGIEHNGSA-N 445.579 4.565 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 1533789780 GKMPNYNIBJRYDF-OAQYLSRUSA-N 435.524 4.721 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1ccccc1 1534344310 QFQQMSBFTLNOGK-FCHUYYIVSA-N 437.609 4.762 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1Cl 1537758405 COHDAWUGDQKUDK-LJQANCHMSA-N 449.869 4.678 30 10 IJEE C=CCc1cc(C(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)cc(OC)c1OC 1538482534 LZXGYQNMGRVMAL-CYBMUJFWSA-N 432.314 4.623 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCCC1(F)F 1539147228 DHXCOTKEFZWESJ-MSOLQXFVSA-N 432.515 4.712 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCc1ccc(Cl)s1 1539377631 LJBQEROOXRNVCW-UHFFFAOYSA-N 428.989 4.891 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1539733797 PLIAIIUQCWHKSJ-PMACEKPBSA-N 430.618 4.795 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1539811084 AQBUFMVOTAGUMM-HXUWFJFHSA-N 428.989 4.521 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1539859483 RAGISORJSFXWRN-CVDCTZTESA-N 440.613 4.717 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccco1 1539966433 JJUZGJMQBFGLCA-LJQANCHMSA-N 435.576 4.599 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C2CCCC2)CC1 1540005937 QAPHHCATLKQFIV-UHFFFAOYSA-N 429.559 4.568 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1540049902 VKTNIBVOVWUOQY-ORQYLMBXSA-N 430.980 4.635 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@H]1C(=C)C 1540133163 CMZNYOCKQKXATD-OFNKIYASSA-N 433.531 4.653 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(C(C)(C)C)no1 1540191704 PTNXIZZRJZYFKN-UHFFFAOYSA-N 429.952 4.571 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)Cc1ccccc1F 1540857573 FWBBAOWACRNDMG-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1540881022 WZWRMOYCZHUKNB-YADHBBJMSA-N 437.632 4.544 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCc2coc(-c3ccc(C)cc3)n2)C1 1540882177 CWNPTINEJHTWND-KNQAVFIVSA-N 435.572 4.779 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)C(C)C 1544402083 FJQCMINJKSOJPZ-INIZCTEOSA-N 443.391 4.786 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 1558050251 CLLSPIHXBWWGRL-AABGKKOBSA-N 436.980 4.926 30 10 IJEE C#CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CC[C@@H](C)C3 1559325641 TUQTUAIJTTVDAC-OAHLLOKOSA-N 438.618 4.931 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](O)c1c(Cl)cccc1Cl 1560486688 NMQADLBFKJSBLK-MRXNPFEDSA-N 429.141 4.591 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CCCCC1 1569103686 QUBHSENQUVBNEU-UHFFFAOYSA-N 448.972 4.855 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(-c2nnc(S)o2)cc1 1570213406 DBFLOPACRFXJPL-UHFFFAOYSA-N 432.299 4.605 30 10 IJEE C=CCOc1ccc(CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C(C)(C)C)cc1 1585443069 BISLMAKWVDQSRU-UHFFFAOYSA-N 435.490 4.783 30 10 IJEE N#Cc1ccc2nc(NC(=O)[C@@H](Oc3cccc(Br)c3)c3ccccc3)[nH]c2c1 1587347197 AZRHMLKLDRTOEX-FQEVSTJZSA-N 447.292 4.956 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C/C=C/c1ccccc1 1587632390 LJIDWMRLYASWBY-RDPWEWGOSA-N 449.599 4.564 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1588446030 WDILHIVMPYZAFU-YKSBVNFPSA-N 436.600 4.595 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN1CCC 1589151285 WMDCQJCUZXDNIM-VMODYCNZSA-N 449.643 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)CCC(C)C 1589242993 RXZLFXNMCCUPKV-FTJBHMTQSA-N 438.616 4.653 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccccc1)C1CC1 1593826258 KBDDYCFPDKATKL-UHFFFAOYSA-N 446.780 4.968 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccnc(SC)c2)CC1 1594014160 PCFUXPUDWGTJQA-QGZVFWFLSA-N 439.560 4.879 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2Cc2cccc(C(F)(F)F)n2)CC1 1594134902 XXOASUZYKDERRQ-UHFFFAOYSA-N 447.436 4.615 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 1594545570 UPTHBHROOUWDFR-NFBKMPQASA-N 435.616 4.599 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1594573510 SLPSSFIIGFYJIA-RBUKOAKNSA-N 438.551 4.641 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC1(CC)CCCC1 1595094051 LEQUEDGACDNWPZ-UHFFFAOYSA-N 429.572 4.713 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1CC 1595132879 ACOZJXLJVZGNJK-UXHICEINSA-N 439.579 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC1(N(C)C)CCC1 1595184870 DZHQPVATDAFNFI-UHFFFAOYSA-N 448.384 4.509 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 1595234591 VMOCKNUGXPPFEA-DENIHFKCSA-N 441.595 4.629 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)SC)C1 1595674475 QDRYQAAIZKNGEN-GPMSIDNRSA-N 437.009 4.604 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(Cc4ccccc4)ccc3O)n[nH]2)c1C 1598168093 FSKFPLRJPWLAGL-UHFFFAOYSA-N 427.508 4.625 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)N2CCC[C@@H](C)C2)cc1 1613778472 ANPTYXWNOQYAEM-IPVFLDMMSA-N 434.632 4.758 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1620297692 DWTQUHLDXOSJBK-DRKIFQHWSA-N 439.629 4.523 30 10 IJEE C#CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1622846606 DPFPCGKPKWOZHX-UHFFFAOYSA-N 426.344 4.860 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)OCC)c2)c1 1625355721 JQRCRIAWTBHDNK-SZPZYZBQSA-N 433.508 4.831 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1626289135 NIYKTEDDJKFTMU-UHFFFAOYSA-N 448.588 4.975 30 10 IJEE C=CC[C@@]1(C(=O)NCc2nc3ccccc3n2C(C)C)CCCN1C(=O)OC(C)(C)C 1629845511 IAICNMWVUBSZNH-DEOSSOPVSA-N 426.561 4.579 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccc(Cl)cc2)on1)[C@@H](Cc1ccccc1)C(=O)OCC 1634103792 JBXHENNGMVOMCV-NRFANRHFSA-N 438.911 4.798 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1635970842 GVPDSWRXLCFUQJ-BBIKYKNESA-N 449.532 4.985 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N3CCC[C@H](CC#N)C3)cs2)cc1 1640336771 CMUBDOWQPABROG-QGZVFWFLSA-N 440.569 4.847 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(Cl)cc1 1642103317 VFDDYLHUTRRTJD-HKUYNNGSSA-N 434.870 4.675 30 10 IJEE C=CCn1c(SCC/C=C\c2cncc(OC)c2)nc2sc3c(c2c1=O)CCC3 1643465075 WQVYRGVHJJLXDQ-DAXSKMNVSA-N 425.579 4.732 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)COCC 1649540071 TZGNFQYVDOWQHS-QGZVFWFLSA-N 437.613 4.898 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)CCS1 1649592838 FUKGVQNYTKRPSU-UHFFFAOYSA-N 439.629 4.745 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(O[C@H](C)c3ccccc3)ccn2)CCCN1C(=O)OC(C)(C)C 1651137406 OIVIGRIUEXKSPY-NIYFSFCBSA-N 449.551 4.953 30 10 IJEE C#Cc1ccc(NC(=O)CCN(C)Cc2cccc(OC)c2OCc2ccccc2F)cc1 1653400726 WJMXNNRNDOBDBJ-UHFFFAOYSA-N 446.522 4.855 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccc3cc(Br)ccc3c1)C2 1659764000 FCTKLQDHKXESCH-UHFFFAOYSA-N 427.327 4.708 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@H](COC)Cc1ccccc1 1662573720 NIOHYJCYUZBHDL-SFHVURJKSA-N 433.346 4.735 30 10 IJEE COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1662725267 DNETWZGNXWPLEN-HNNXBMFYSA-N 426.925 4.927 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2C)n1 1664825496 ASQVJLZJFQZRQX-UHFFFAOYSA-N 443.267 4.660 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@@H]2CC(c3ccc(OC)c(C)c3)=NO2)cc1OC 1665572298 QFRYPRLQOZPELM-SFHVURJKSA-N 430.932 4.513 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@@H]2C[C@@H](OCC)C23CCCCC3)cc1 1667589566 KZFKPWSWMNMWLU-FGZHOGPDSA-N 427.589 4.974 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2-c2nc(CC(C)C)no2)cc1 1669103733 RINSKWLSUARSTL-UHFFFAOYSA-N 438.915 4.922 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Br)cc2Br)cc1 1672990317 VFGRDHJPFSMFTD-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=CCC1(CNC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCC1 1673063425 ZOWGGVDOBFSSIA-UHFFFAOYSA-N 427.570 4.770 30 10 IJEE C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(Br)c(C#N)n1 1673983398 CLIDCSGOSSMWQL-SNVBAGLBSA-N 427.224 4.959 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)cc21 1674685482 ZQGABFZJMRTNQW-UHFFFAOYSA-N 445.445 4.711 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 1675015221 WROWEUZOWJNUML-UHFFFAOYSA-N 435.543 4.890 30 10 IJEE CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1 1679280728 BQABQWSTBDDSDX-WOJBJXKFSA-N 444.373 4.951 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1ccc(C(F)(F)F)cc1 1679305165 LJFQOBPQKSRWEP-AIWVZJMLSA-N 440.506 4.985 30 10 IJEE C#CCN(C(=O)NCCc1ccc(C=C)cc1)[C@H]1CCOc2ccc(Br)cc21 1682577280 HZZAFXQXFGSHDT-NRFANRHFSA-N 439.353 4.803 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl 1683288970 JYAPHSBANCBWGU-OAQYLSRUSA-N 448.394 4.829 30 10 IJEE C#C[C@H](NC(=O)N1CCOc2c(Br)cccc2C1)c1ccc(Cl)cc1F 1683516808 JGVIHKUNCTYODW-KRWDZBQOSA-N 437.696 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1csc(C(C)C)n1 1689829313 XENHSAWFUZYYJQ-SJORKVTESA-N 441.576 4.838 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCC1CCOCC1 1690195969 UAEMPTLWQKEAQV-XMMPIXPASA-N 444.526 4.745 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC=C(C)C1 1690241570 UITRXULIDFIGLQ-CRAIPNDOSA-N 449.418 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H](O)C1 1690260261 FQFRSOQCHINRQV-DLBZAZTESA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1690412624 YRMKGXHPBHLCPF-AZUAARDMSA-N 431.625 4.525 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCC(C)CC1)C1CC1 1690536511 ALOPAMBRSRGIQW-LJQANCHMSA-N 444.023 4.958 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)C1)C(C)C 1690583326 HBJCKIXZICKTBP-BXXSPATCSA-N 443.680 4.742 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC1CCN(Cc2cccs2)CC1 1690594976 LDALQHRJPGSWKS-QFIPXVFZSA-N 441.645 4.672 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCCOC2)C1 1690737416 LXGGWXBUFDPACS-NRFANRHFSA-N 436.984 4.664 30 10 IJEE CC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCC(C#N)CC2)CC1 1692874172 HDAAPLOLJZILRC-UHFFFAOYSA-N 434.769 4.901 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C2CC2)CCC1 1705593882 XJLMDUWPTFTCFD-UHFFFAOYSA-N 446.595 4.784 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1705735145 KHSJZJHEGDLQHC-DHIUTWEWSA-N 440.588 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705788546 DWHJOPXHWLNNFI-HXUWFJFHSA-N 445.571 4.570 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1705832356 VLCUGFKHPCSWSI-HXUWFJFHSA-N 439.629 4.665 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1705853984 LGTJKUIAYAJACZ-LJQANCHMSA-N 439.604 4.588 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CCN1CCC(C)CC1)C1CC1 1705856277 NIFGQMVYFXSONP-UHFFFAOYSA-N 425.646 4.766 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC(C)C 1705866942 CXMBDQVVDLEJSO-WOJBJXKFSA-N 432.634 4.876 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](C[C@@H]3CCOC3)C2)nnc1C(C)(C)C 1705913970 CMJBFNXUICZPIJ-SFTDATJTSA-N 438.616 4.832 30 10 IJEE CN(Cc1ccsc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1 1711115779 DNYVTYONOHRGCZ-KRWDZBQOSA-N 443.523 4.862 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(F)(F)F)CC1 1722336532 MKFOCEOZZZIDLZ-UHFFFAOYSA-N 426.433 4.729 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC=CCC1 1722406899 AVTSHHFMXSGLSP-MRXNPFEDSA-N 429.362 4.532 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1ccc2c(n1)CCCC2 1722417888 XMSZMWSSWUCZLO-UHFFFAOYSA-N 431.559 4.677 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCO2)CC1 1722576015 GYDULYHIXCDDJP-IBGZPJMESA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCSCc2ccccc2F)CC1 1722577393 FTHXUDKOVALTDG-IBGZPJMESA-N 430.593 4.647 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN(C)C(=O)OC(C)(C)C 1722633441 HFWIXPSSCIVVRU-UHFFFAOYSA-N 439.604 4.627 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1cc(C(C)(C)C)no1 1722658746 KVPAZTZGZWREOD-UHFFFAOYSA-N 442.567 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCC1(O)CCC1 1722663915 LDOHBABLABOYTF-UHFFFAOYSA-N 426.561 4.567 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC(C(F)(F)F)CC1 1722707011 CRYJADKRGPYZBH-UHFFFAOYSA-N 445.489 4.675 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1740560676 NTBYZZCBWXIYPE-AZUAARDMSA-N 430.543 4.745 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC[C@H](OC)C(F)(F)F 1740676885 AWQOZRDWZJOJJG-YJBOKZPZSA-N 426.458 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccncc1Cl 1740724744 ICZJRDZYLRIDMF-QMHKHESXSA-N 439.922 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1740732213 VIUJWLMEIKDXSU-SHQCIBLASA-N 433.644 4.771 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1740738469 IBAHFKWXFGKPIY-WBVHZDCISA-N 432.366 4.682 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1740778175 MIDWDGGABZSDPN-GOSISDBHSA-N 431.378 4.537 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCCN2CCCC)CC1 1740826973 DPZGGZUIBIXUGG-HSZRJFAPSA-N 437.632 4.689 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(CC)C(C)C)CC1 1740835644 IGKVNDDUGQDPLA-UHFFFAOYSA-N 433.547 4.679 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(OC)c(OC)c2)CC1 1740840919 NQWKPPRXCAIGOG-UHFFFAOYSA-N 438.597 4.593 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1740861778 YJOXLMYWBVTROI-FQEVSTJZSA-N 443.498 4.809 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C2CC2)C1 1740867167 ZWSVEKXVHSCCFI-PMACEKPBSA-N 429.609 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC(F)(F)Br 1740928730 SNAULRQLYRBPIB-UHFFFAOYSA-N 434.288 4.659 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740945045 AEVKGMVRQBIGTD-LJQANCHMSA-N 448.571 4.515 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCC(C(F)(F)F)CC1 1741127545 DKENVEQFJCUCAP-UQPPLGOBSA-N 449.477 4.638 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C1CCCCC1)C1CC1 1741514536 CNFSIOMIUCIATC-UHFFFAOYSA-N 448.615 4.623 30 10 IJEE Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)cs1 1742595867 ANWCQEODIIBNIK-QAPCUYQASA-N 438.601 4.638 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@@H]2CCOC2)CC1 1748724237 PBQUWMSFYCDKOP-HSZRJFAPSA-N 436.600 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@H]1C 1749054511 UJRJOTWVSHPUJC-YDIMBITNSA-N 442.007 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCOC1CCCCCC1 1749069111 UVBJRXQCTLSULV-RUZDIDTESA-N 442.554 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccco1 1749136446 NLQAYCJBLXZQIZ-RDPSFJRHSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCC[C@H]1C 1749146308 CCIIXRXNDXJEOG-AUUYWEPGSA-N 439.423 4.723 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1749218362 MTIZSKYKZPBHNQ-IBGZPJMESA-N 441.938 4.719 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCS[C@@H](C(C)C)C1)c1ccccc1 1749386038 YCGNALDUFIJQTP-YPAWHYETSA-N 426.630 4.720 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(C)(C)C)CC1 1749419826 QXFVBNLZFGBMKC-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749430779 TZMGOCIFJIMLIO-IBGZPJMESA-N 428.024 4.799 30 10 IJEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)C(C)C 1750892759 FSBCIQVHAJRFHH-LADGPHEKSA-N 434.632 4.952 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCSC2)c1C 1751317526 FEXIZPCVMYVDJJ-UYAOXDASSA-N 425.602 4.528 30 10 IJEE C#CCCCCn1c(N2CCC(N(CC)CC)CC2)nnc1C1(c2ccccc2)CCC1 1760142984 SQKIXRAQBRDIBU-UHFFFAOYSA-N 433.644 4.862 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 1760158818 TUYUWVZBLHHVDX-UHFFFAOYSA-N 432.355 4.707 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1760168752 OFBDAVGQCYGOIE-FQEVSTJZSA-N 428.527 4.875 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1760228300 ADUYZBZEMXHFFR-LJQANCHMSA-N 449.555 4.550 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc2c(n1)CCCC2 1760239875 YWGVMQINIGEDDT-UHFFFAOYSA-N 431.609 4.660 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1760273613 AAXQOIMIBYAFPK-JKSUJKDBSA-N 433.419 4.556 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc2c(s1)CCCC2 1760331589 NFZVKILZHWXLER-UHFFFAOYSA-N 432.597 4.797 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)C1CCCCC1)C1CC1 1760477087 OWQZVPBKQOLPJV-UHFFFAOYSA-N 428.024 4.942 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)C[C@H](C)C#N)o1 1763928755 AGLSXRVGRVOPLB-CQSZACIVSA-N 442.951 4.500 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCc2sccc2C1 1764906287 AFAVLDQMDBOIAD-SFHVURJKSA-N 434.613 4.561 30 10 IJEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1765437322 GLWLOYHITUXDIS-NRFANRHFSA-N 435.494 4.537 30 10 IJEE CC1CCN(c2ccc(Nc3ccc(NS(=O)(=O)c4ccccc4C#N)cn3)cc2)CC1 1858437710 JZLLDWOUUZJOJA-UHFFFAOYSA-N 447.564 4.734 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(-n3c(C)nc4ccccc43)cc2)nc1C 1859757382 PJCKUJJFNWHSNR-UHFFFAOYSA-N 432.505 4.694 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1C(=O)O)c1ccccc1Cl 1862433750 KANLCDRZERUPID-FQEVSTJZSA-N 439.895 4.949 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(Br)cc1 1862470358 LXIYWYDSPUVRIJ-IBGZPJMESA-N 437.293 4.671 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862474503 PDNDLHVVWHAVKK-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2C(=O)O)cc1 1862477866 UDSDTJOQGJCFLF-HSZRJFAPSA-N 441.483 4.780 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862498359 GJYKWJAHMYAYAM-DJJJIMSYSA-N 434.319 4.569 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(O)cc2)ccc1F 1862507296 IJUSZRNZTLUPEQ-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862536802 HWNAMPAFKJVQDI-UPVQGACJSA-N 449.547 4.795 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OCC)c(OC)c1 1862554153 WRJIVVDBKNQVJH-XMMPIXPASA-N 447.531 4.737 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(C)c2)cc1 1862554487 DQLXTIMAJILANK-MZNJEOGPSA-N 442.515 4.925 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c(OCC)c1 1862564055 QTTKFZQAQBTDFM-QFIPXVFZSA-N 438.524 4.532 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862744595 QADYRNAATQTKBJ-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1862956702 MIGYEYLYUXQGGM-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(CCCCN2CCCC2)C1=O 1863804053 VHBQAMYGDMHDRB-UHFFFAOYSA-N 431.646 4.654 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 1870156343 ILGVPGGCTUYFII-UHFFFAOYSA-N 448.483 4.567 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CSc1ccccc1 1870229103 KXTCKYUFRAJXLF-UHFFFAOYSA-N 434.561 4.961 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2Cl)c(=O)cc1CN(CC)CCCC 1870645762 ZNPSDSZAZQZWEA-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1871010357 JOODAUIFTUJQHS-UHFFFAOYSA-N 447.966 4.774 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccncc2)cc1 1871250545 JRYHCIKWEAHQCD-UHFFFAOYSA-N 436.515 4.663 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871456909 DENWSNMYDHLWGA-ABVWVXPPSA-N 427.456 4.885 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871760182 RMIOMYGLOZKWEV-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 1872141479 BQQKTELUIIUYEH-HXUWFJFHSA-N 449.576 4.943 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)CCCC 1872301792 SNDCYPPKRLUUAD-IBGZPJMESA-N 447.066 4.717 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872402222 DRIUTRRRWPXPKZ-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872420125 MWUIDRITLDNVBG-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(Cl)cc3)n2)c(C)c1 1872786409 JKPVVQBQOUGZNR-SFHVURJKSA-N 437.952 4.995 30 10 IJEE CCCCN(CCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 1872797388 JQUCBQCERVYQML-FQEVSTJZSA-N 426.586 4.765 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)cc1 1872874664 WGNNACYECSAMNX-UHFFFAOYSA-N 431.923 4.753 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCSC[C@H]2c2ccc(OC)cc2)CC1=O 1872976803 SASXVZVGNMRTSW-UNMCSNQZSA-N 432.630 4.521 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3ccncc3)ncnc21 1873618760 WJZXIIWGQUPLOA-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cc(OC)ccc1OC 1874321189 DKVSSIJQAVBBIN-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE C(=N/n1c(CCOc2ccccc2)nnc1SCCc1ccccc1)\c1ccccn1 1874346528 SXAAYZAGOZQIJM-LGUFXXKBSA-N 429.549 4.512 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N(CC)CC)nnc2[C@@H](C)c2ccccc2)cc1 1874391824 UNQODSUAZCBMNK-OJWZXOLNSA-N 449.624 4.835 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2ccco2)c1C 1874416432 PBWSNXLLJQUPOS-MFKUBSTISA-N 445.548 4.692 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)c1 1874454650 SCHBSVLFQMGPQY-MFKUBSTISA-N 449.580 4.866 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2c[nH]c3ccccc23)cc1 1874489196 FRNZKKXPNQTAAU-VULFUBBASA-N 446.580 4.879 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1O 1874521739 JFLVSIUPRWNIJE-SRZZPIQSSA-N 431.359 4.792 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874698994 YGMWYNIJUSHPRY-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875162947 XSDYKOUOLXRSLY-UXBLZVDNSA-N 439.370 4.997 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 1891620108 VDBLPBPOIWFWFO-UHFFFAOYSA-N 435.534 4.740 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CNC(C)C)c1Cl 1914946030 GYCGYOARANKGGK-UHFFFAOYSA-N 427.397 4.868 30 10 IJEE CC(C)(C)OC(=O)NCc1ccsc1C(=O)Nc1ccc(C#N)c(Br)c1 1964767763 PQWDFWOKAGBTCE-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C=O 1985135828 YBQFYQBSMFKVCU-CEYNDMKZSA-N 448.563 4.520 30 10 IJEE CCCN[C@@H](CC#C[Si](C)(C)C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1987480425 UETYJWZZBFSLHH-FCHUYYIVSA-N 432.681 4.736 30 10 IJEE C[C@]1(Nc2ccc(C#N)c(Br)c2)CCCN(C(=O)OCc2ccccc2)C1 1998955719 BOMAHFHMFQVDOU-NRFANRHFSA-N 428.330 4.924 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2008612757 CZUVSVUIYBMBOD-AQNXPRMDSA-N 442.522 4.925 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2038877893 WYCFLLFLPPXEQA-VIICAESSSA-N 446.632 4.574 30 10 IJEE CC[C@@H]1[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@@]1(C#N)NC1CC1 2058747919 XWHZWUYLFKPNBB-FCEKVYKBSA-N 430.640 4.824 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2060625545 LKTNPWXGMDRZTE-GOSISDBHSA-N 438.418 4.546 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)[C@@H](C)c2cscc2Br)C1 2077089524 IFFMAWUKONAWJH-LBPRGKRZSA-N 429.380 4.644 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](C)(O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2082138572 CQXZYKOTWGASRN-FCBCXNLDSA-N 446.632 4.572 30 10 IJEE N#Cc1ccc(CNc2cc(Br)c(Br)c(Br)c2)cn1 2104040484 GAGBVRIIKZOVIU-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCNc2cc(Br)c(C#N)cc2F)C1 2106041672 IRDYPHOMINYJMU-GXTWGEPZSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)NCC1CC2(C1)CC(Nc1ccc(C#N)c(Br)c1F)C2 2164523996 MTJOUCOECQATJQ-UHFFFAOYSA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCCC2)c2cc(Br)ccc2C#N)C1 2174763933 SIOIQYWWIFEWTN-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181137734 SJSFNZNNLBICPQ-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2Oc1cc(Br)cnc1C#N 2198815599 NUHRCCVXTAHRLK-RRQGHBQHSA-N 436.350 4.519 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(Br)cnc3C#N)CCCC[C@@H]2C1 2198830735 XRXWDLOADQUTQG-JLTOFOAXSA-N 436.350 4.664 30 10 IJEE CC#CC[C@@H](COc1ncc(C(F)(F)F)cc1Br)NC(=O)OC(C)(C)C 2232223267 QSCCSEJNPJUXIK-LBPRGKRZSA-N 437.256 4.548 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2235729784 NOSLOOWCLRCHQI-ILZDJORESA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CC(C)C1 2235730525 VNOUMBQIBRQKJQ-COFLGROHSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2235736634 ZOPCPHAQNWBZQS-OALUTQOASA-N 435.406 4.814 30 10 IJEE CC1(C)OB(c2cnsc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2255652831 ZXQSSYNWKOHAMH-UHFFFAOYSA-N 440.418 4.665 30 10 IJEE C=CC[C@]1(COc2nc(Br)ccc2OC)CCCN1C(=O)OC(C)(C)C 2272119725 XVXSPWAQTCLOSI-LJQANCHMSA-N 427.339 4.577 30 10 IJEE C[Si](C)(C)C#CC[C@@H](OCCN)c1scc(Br)c1Br 2277297931 FSFDFYLAIXRCKX-LLVKDONJSA-N 425.262 4.560 30 10 IJEE C[Si](C)(C)C#CC[C@@H](OCCCN)c1scc(Br)c1Br 2294480603 AMJDTWHMXLOMOW-GFCCVEGCSA-N 439.289 4.951 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(CC)CC(NC(=O)OC(C)(C)C)C1 2296293283 HYLLWCGCWDTNSY-LVIWNVNYSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296296187 LEXLWGDDLWDPKE-RBUKOAKNSA-N 435.406 4.672 30 10 IJEE C=CCn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 2297460984 BOBBLDBVTUEVLO-UHFFFAOYSA-N 435.936 4.620 30 10 IJEE CSCC#C[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2299660711 PIEIXFQFEQKAMY-JYFHCDHNSA-N 433.573 4.572 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(NN=CC=Cc3ccccc3)n2)cc1 2314414147 QUUSYFZZHONUIM-UHFFFAOYSA-N 440.594 4.952 30 10 IJEE C[C@@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2317355111 VAJKFZQUUMMJPP-KRWDZBQOSA-N 432.370 4.751 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2322667484 LJGDQBCMWCDVQK-UHFFFAOYSA-N 429.472 4.680 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323627700 KZUSGWTWNQMWSD-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c1 2323693758 SZLJPCGBLONLFX-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(OC)c4)ccc3C2=O)cc1 2325571984 PNIVVAVAXJGQAI-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCSC)c2)c1 2325744052 OUCBQNANHJWIQD-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326224882 QZPJQLHMXZMEPU-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE CCCOc1cccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCC)c1 2328515119 CYYTVVFRJFGPJL-UHFFFAOYSA-N 439.541 4.950 30 10 IJEE Cn1cccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccc(F)cc1 2329162374 LGPRGEGPUGJGNT-UHFFFAOYSA-N 435.528 4.552 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccco1 2330282754 ZTTHXWILCRVJKS-UHFFFAOYSA-N 431.606 4.617 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 2330707556 XDQBVYZALBGCJU-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)c(OC)c2)cc1 2330990575 ZKPAIRHCLNXYGL-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)cc1 2331429873 OWURWCHCYJGGSM-UHFFFAOYSA-N 427.961 4.743 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)cc(OC)c1O 2331520971 UZBHIYHPKMKPFY-UHFFFAOYSA-N 442.516 4.582 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(COC)c1 2337139221 BHUXUVJUJSFOTO-ROUUACIJSA-N 427.383 4.716 30 10 IJEE CCC1(NC(=O)OC(C)(C)C)CC(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339585645 RXMKNMYADQFAOU-OUKQBFOZSA-N 444.381 4.941 30 10 IJEE Cc1ccc(CNC(=O)OC(C)(C)C)cc1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2344995878 AWWKRCZJAGFFAD-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2360193991 DCACBRANXDOLKY-RLLQIKCJSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2360196454 RAQYYWVXNGJIFX-AHRSYUTCSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@H](O)C#Cc2cccc(Br)c2)C1(C)C 2370008546 QRNKJCLRCJGTGU-QXAKKESOSA-N 436.390 4.881 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)Cc1ccc(Cl)o1 2377309625 ZNULBRKBKLMLJA-UHFFFAOYSA-N 440.574 4.627 30 10 IJEE CC(C)CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C#N)cc1Br 14645789 LUAHNZBQHDTPDS-UHFFFAOYSA-N 446.370 4.872 30 10 IJEE Cc1ccc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2cccc(C)c2C)cc1F 32973712 LNRFURWHFJQTFQ-UHFFFAOYSA-N 435.547 4.542 30 10 IJEE CC(=O)N1c2ccc(C)cc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccccc1C#N 32997561 VWTYSCIEDPMBNI-QHCPKHFHSA-N 445.548 4.911 30 10 IJEE C=CCOC[C@@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C 36249908 GHADVQLYUVMBMH-QFIPXVFZSA-N 429.605 4.598 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)cc1 41284353 BQMXGLMUYSJDRX-XKZIYDEJSA-N 428.440 4.925 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4OC)c3C)C2=O)c1 41285631 WKJBTDBCYHILSC-UCQKPKSFSA-N 446.455 4.856 30 10 IJEE Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59250091 DKCOZTXHTPDTTH-YSURURNPSA-N 440.839 4.593 30 10 IJEE CCCOc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 103088860 XEXNBSOFTGWSII-QQYUXEJHSA-N 442.515 4.801 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2ccc(F)cc2)/C1=C(O)\C=C\c1ccccc1 103102205 QSQYGJQYAYILDM-RIGPGGCQSA-N 443.430 4.706 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170072570 VEMAFWVFSHIRGS-HSZRJFAPSA-N 447.437 4.678 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccco2)cc1OC 170091874 YWXLTQAOVHYMGI-NRFANRHFSA-N 437.423 4.527 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 170134389 IVRXANUNCLQDDB-HSZRJFAPSA-N 447.487 4.799 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)c1 170191213 NVPHHZCRVLJWFK-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccncc1 170212278 JXPBJLPSEVFWIU-LJQANCHMSA-N 426.900 4.573 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cn(C)c2ccccc12 170269542 HTOGPYQPRGUVCO-NRFANRHFSA-N 438.911 4.829 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)ccc1Cl 170274963 LTSHHGXDAOLFBD-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302436 ZJIXLDWASYXSLS-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2sccc2C)cc1C 170316058 CUXGXHCLHZSMGT-PXNSSMCTSA-N 441.549 4.521 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1 170433217 XYIKFQNNNGCZKS-HSZRJFAPSA-N 439.508 4.618 30 10 IJEE COc1cc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OC(=O)c1cccs1 252590897 AWYCDGOCNHAJFB-UHFFFAOYSA-N 447.516 4.524 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C\c3cc(OC)ccc3OC)C(=O)N2CC)cc1 252615675 JUSSMLVVQFHWKU-KWKLDLJFSA-N 440.521 4.504 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(OC)cc1 254310093 QXTWBZLBQSGXCM-YTGHUJMRSA-N 427.551 4.698 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1OC)NCC 407006310 WYUMFJGNFHFSTR-MSOLQXFVSA-N 441.410 4.838 30 10 IJEE C=CCC[C@@H](NC(=O)C(=O)Nc1sc(CC)nc1C)c1ccc(C(F)(F)F)cc1 426967565 DKYMNUIQSFHEGF-OAHLLOKOSA-N 425.476 4.795 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@H](CC(F)(F)F)C2)nnc1-c1ccc(Cl)cc1 434009526 ZIGPOZFQLRVUIX-ZDUSSCGKSA-N 444.910 4.678 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C 435326861 FBTUHGMTGIEXAW-UHFFFAOYSA-N 429.274 4.758 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 476161038 QMUKZGAXYWTDJD-UHFFFAOYSA-N 426.582 4.965 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)nnc1-c1ccco1 482520137 QPXPABTVNWFFAI-IAGOWNOFSA-N 426.542 4.799 30 10 IJEE C[C@@H](N[C@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 487910022 GIGYIEYGQRWJKE-HZPDHXFCSA-N 432.549 4.974 30 10 IJEE CCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccc(F)cc1 489616828 AZVWJPWSOLCJEC-BXFSZVDSSA-N 429.565 4.516 30 10 IJEE N#Cc1cccc(CS(=O)(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 490409714 FJOOHKBERYELAH-HSZRJFAPSA-N 440.952 4.589 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 508997586 KIJHEPFAOBCVSV-UHFFFAOYSA-N 439.922 4.779 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1ccc(OC)cc1 514290556 CHKPBEIAYUKOAK-UHFFFAOYSA-N 444.354 4.877 30 10 IJEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c1C 523534585 CHAWKOQCWUERTH-MRXNPFEDSA-N 430.537 4.670 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)s2)cc1 523813665 BFQHJPVFBMVVLO-KBPBESRZSA-N 428.489 4.722 30 10 IJEE CC(=O)c1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccccc2)C1=O 526659185 LFWSCBAHHQUMFV-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 549669706 LELAVHJBCHACMF-RDPSFJRHSA-N 448.567 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 558989910 CTMTXTCNLIPGIT-QGZVFWFLSA-N 427.574 4.755 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@H]2CNCC[C@@H]2NC(=O)c2c(F)cccc2Cl)cc1 585827847 JJKXVBHCRFROAZ-HXORGJGYSA-N 428.935 4.593 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 586506260 JECSJTVQKNYHID-UHFFFAOYSA-N 433.545 4.570 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCNC1(c2cccc(C#N)c2)CC1 611669244 QUAVKRYZRDVXII-UHFFFAOYSA-N 426.358 4.935 30 10 IJEE Cc1c(Br)ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)c1F 619114299 IGBCDPVKZUTZSJ-AWEZNQCLSA-N 426.083 4.654 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1(C)C 698866617 JXDSBXZDHZZOLY-IBGZPJMESA-N 435.487 4.858 30 10 IJEE C=C1CCC(C[C@H](NC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 724611029 OVTWKJOTQKBGRV-OZXSUGGESA-N 427.633 4.880 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc(Br)c1O 731562488 CNBRCKCYGHBIMG-HWKANZROSA-N 432.192 4.569 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CC[C@@H](CC(F)(F)F)C2)c1=S 766115852 CWOSINYPUIHTPX-AWEZNQCLSA-N 430.471 4.550 30 10 IJEE C=CCn1c(C)cc(C(=O)COC(=O)c2c(C(F)(F)F)nn(CC)c2C(F)F)c1C 768143534 BJBSSSJVFVYBHH-UHFFFAOYSA-N 433.377 4.503 30 10 IJEE C[C@@H](OC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)C(=O)N(CCC#N)c1ccccc1 780192156 DTVUJWJKPHGJRH-CQSZACIVSA-N 441.459 4.580 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CCC)c2ccc(Cl)c(Cl)c2)n1 788927494 UXGWGLJBQRGYLV-HXUWFJFHSA-N 437.371 4.523 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 806163197 NJZCBSUDEDHSGK-JOCHJYFZSA-N 427.504 4.704 30 10 IJEE C=CCN(C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)c1nc(C(=O)OCC)cs1 920244121 VEOVEIFBLLGEEY-MDZDMXLPSA-N 427.913 4.754 30 10 IJEE O=C(CCSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1ccccc1Cl 1084139585 RCFPYLRALYUAGG-HKGULWOWSA-N 426.933 4.690 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1126179877 OTTOMAZUZGQXCI-UHFFFAOYSA-N 438.524 4.806 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 1130824716 SVSBVEPITPDTEJ-OAQYLSRUSA-N 448.346 4.917 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(C3C(C)(C)C3(C)C)[nH]n2)nnc1-c1ccco1 1143444649 VTYYXZPEYYZYCC-UHFFFAOYSA-N 440.573 4.718 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C 1144972168 IFVAVOGWYPYHAA-QFIPXVFZSA-N 444.934 4.863 30 10 IJEE C=CC1(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCCC1 1147503573 AXJUKCYAWGUIQF-NRFANRHFSA-N 429.605 4.961 30 10 IJEE C#CCOc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 1154541241 IJSIQDJPXNQPRL-UHFFFAOYSA-N 426.266 4.885 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1 1158173410 PNEFLPXOWJWLGU-OAQYLSRUSA-N 442.581 4.629 30 10 IJEE C=CCN(Cc1cc(F)ccc1Oc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 1180157474 ICOUEKZMQLPNHZ-KRWDZBQOSA-N 427.900 4.586 30 10 IJEE C=CCOc1cccc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)c1 1188585933 CLGOKUXQKULYIS-UHFFFAOYSA-N 436.249 4.834 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccc(F)cc4)c3)cc21 1209768068 QPLCCNGEBMRRGE-UHFFFAOYSA-N 443.482 4.935 30 10 IJEE N#Cc1cc(NC(=O)NCCc2cccc(Br)c2)ccc1OC(F)(F)F 1217007958 HZRWWIMVPRWTBZ-UHFFFAOYSA-N 428.208 4.584 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 1223549463 YOSHVBULKNGNIT-HSZRJFAPSA-N 427.976 4.883 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C 1230656981 LZEDOWAPFVDMSS-HSZRJFAPSA-N 447.579 4.978 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 1275698325 GPFWFIBFWZZIEJ-QFIPXVFZSA-N 425.532 4.919 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1nnc(-c2ccsc2)o1 1276765983 GFSNDMXXCRPRDN-CYBMUJFWSA-N 434.443 4.690 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1286276708 YWBQNQZHIVSTTK-YTZAWJCFSA-N 445.558 4.515 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(CCCO)CC1 1286337355 FCJIXPFHIXCUIA-UHFFFAOYSA-N 449.624 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](CC)C1 1286552794 SHTAQKZJUPKUOU-LZJOCLMNSA-N 430.980 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cc(C)on1 1286555335 XOIYDSLLRQFYDN-WWNPGLIZSA-N 435.572 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1scnc1C 1286560530 FYIAGMKLVUNCID-JXFKEZNVSA-N 444.004 4.981 30 10 IJEE C=C(Cn1c(N2C[C@@H](C(=O)NCCCC)CC[C@H]2C)nnc1C(C)(C)C)c1ccccc1 1286619773 VZYLVPRNAWTDBC-IRLDBZIGSA-N 437.632 4.810 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286620150 GJDGPTXEDOQAMK-HKUYNNGSSA-N 444.942 4.656 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2nccs2)CC1 1286640546 KUPYHXLRBONMSB-UHFFFAOYSA-N 444.402 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286674713 UOAOXLBPEMEWDV-UGKGYDQZSA-N 426.605 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286675192 NDQOZJDTBXQEFW-VXKWHMMOSA-N 437.632 4.749 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1286677668 HHSBVMORGURJSS-JOCHJYFZSA-N 441.583 4.687 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC2(CCCCCC2)C1 1286693239 WKKLBIXKAGVEIN-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOCC2(CCC2)C1 1286694837 ZATICYWSSZCODM-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286696114 UIWYQWIDTIBFHH-QGZVFWFLSA-N 442.926 4.542 30 10 IJEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286713828 GUAZPIRFLOYNFR-IEBWSBKVSA-N 447.505 4.508 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)C(F)(F)F 1286740386 KXAIUZZPTONVRD-QGZVFWFLSA-N 438.494 4.572 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCSC1 1288924655 CCJYUWRATFJYRK-BSRJHKFKSA-N 443.592 4.830 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C)c1ncc(C)s1 1292580295 FNXUZCXDOUSZDP-IRXDYDNUSA-N 438.601 4.584 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 1297651474 WRUWLGUFBBPOKY-ZWKOTPCHSA-N 445.387 4.783 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCC1CCOCC1 1300284607 SSFMWMFZIKOVFJ-QZTJIDSGSA-N 426.630 4.796 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)C1CCCCC1 1300284930 VWKCMQJTIUOWKO-RBUKOAKNSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1C 1300319272 AFAZNPWBDDRYAL-IKGGRYGDSA-N 431.378 4.514 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(OC)C1CC1 1300601929 LXXQIJJNGNVWDS-MHECFPHRSA-N 445.007 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H](SC)C(C)(C)C 1300816517 OHUGBIAJPPNBDL-GBXCKJPGSA-N 442.629 4.636 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC)c1 1300832965 RLZRCQQYCVNRNM-UHFFFAOYSA-N 448.752 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCN(CCC)C1 1300905517 ABTBBXISHQBXAW-SFHVURJKSA-N 432.012 4.741 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1300996394 GDEUDZOAHVTQBJ-HXUWFJFHSA-N 429.634 4.752 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCCCC2)CC1 1301105100 CXQZGEWHVLWPCL-JOCHJYFZSA-N 437.632 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1301155079 GLURULFSBGKFHF-UHFFFAOYSA-N 431.588 4.805 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Cc2ccccc2)C1 1301159894 IOGDMYGULZBGMW-HSZRJFAPSA-N 432.616 4.811 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(Cl)ccn1 1301176179 RMBWWENJLSCTEU-UHFFFAOYSA-N 426.908 4.894 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1csc(C)n1)C1CC1 1301313469 AJPTXGKLHMJVSD-HNNXBMFYSA-N 427.549 4.720 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccsc2)N(CC)CC)C1 1301535478 LIKDXTDNGDDTKT-VQTJNVASSA-N 431.650 4.502 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C)[C@@H]2C)n1 1302540891 DFKVYEHRGMWEFH-JKSUJKDBSA-N 438.626 4.775 30 10 IJEE C=CCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1307684215 KNISHBODXJWGDS-HXUWFJFHSA-N 435.351 4.594 30 10 IJEE C=CC[C@@H]1N(CC(=O)Nc2ccc(I)cc2C)CCCC1(C)C 1307729662 NQJLFKLPKRWDMY-KRWDZBQOSA-N 426.342 4.605 30 10 IJEE N#Cc1ccc(N2CCN(Cc3ccnc4c(Br)cccc34)CC2)c(Cl)c1 1308722883 CXGQIMNOIZZAPS-UHFFFAOYSA-N 441.760 4.845 30 10 IJEE C=CCC[C@@H](NCc1cn(-c2ccc(Br)cc2)nc1C(C)C)C(=O)OCC 1308769060 CKQUNFDHURRWPH-LJQANCHMSA-N 434.378 4.746 30 10 IJEE C=CCC1(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)CCCCC1 1309501791 UIIXXYLXLJBZLX-SFHVURJKSA-N 427.994 4.845 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1cccc(C2SCCS2)c1 1351179127 HMPIYKWLYQKTNG-UHFFFAOYSA-N 435.368 4.817 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(F)cc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1353583618 LHAPPOCGLANYNV-FQEVSTJZSA-N 430.442 4.807 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccn(C(C)(C)C)n1)c1ccc2c(c1)OCCO2 1355190171 KFDYLVORQNKIJF-UHFFFAOYSA-N 447.535 4.821 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(I)cc(C)c1C 1357285904 UCLQKUANWDKDSL-UHFFFAOYSA-N 430.289 4.608 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 1358207189 ALGAVIRIQOQROV-UHFFFAOYSA-N 446.276 4.666 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCn1ccnc1C 1358874812 DFTKEQASVKKHHJ-HNNXBMFYSA-N 438.988 4.866 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(OCc2ccccc2)CC1 1358914942 MRLJXVVMULXRBY-UHFFFAOYSA-N 434.609 4.920 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1358934028 NJMBQCRTJUGKBK-FQEVSTJZSA-N 436.600 4.573 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCO[C@H]1C(=C)C 1359111699 JXCJYRXGZNRHJP-OFNKIYASSA-N 433.556 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359182921 XYEUUZQHNZRZTM-LJQANCHMSA-N 433.641 4.583 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1359204117 FBNKEPRURJZNET-UHFFFAOYSA-N 425.939 4.975 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccc(COc3cccc(Br)c3)o2)c1 1359925644 KKVWADJOUOXXCN-UHFFFAOYSA-N 427.250 4.852 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1cccc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1435176916 ZEURGMUQTFJBCF-RDOKFVIMSA-N 440.337 4.847 30 10 IJEE C=CCN(C(=O)c1cc(-n2cccc2)ccc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1435902184 YPVQQNCLFIPSKY-QHCPKHFHSA-N 436.939 4.933 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1435992173 FKGFJARMGOTKNJ-DEOSSOPVSA-N 430.976 4.839 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C(F)(F)F)cc1 1436240417 URMNDZRAHZVIRA-IRXDYDNUSA-N 425.200 4.581 30 10 IJEE C=C1CCC(CNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)CC1 1439151592 LDOLUHCAGBPTHB-UHFFFAOYSA-N 428.374 4.990 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)C1 1452478144 VADABZZKLWKJBI-FQEVSTJZSA-N 438.593 4.624 30 10 IJEE C=CCn1c(SCCN(C)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1458738650 YAXCSXWHEARTSY-INIZCTEOSA-N 425.623 4.997 30 10 IJEE C=CCCn1cc(C(=O)O[C@H](c2ccc(Br)cc2Cl)C(F)(F)F)nn1 1461412411 NWLJJOPIURYCPH-CYBMUJFWSA-N 438.631 4.731 30 10 IJEE C#CCN(C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C)C(C)C 1471997367 DEHVYNZNTCSEDR-UHFFFAOYSA-N 439.606 4.686 30 10 IJEE COc1ccccc1[C@H](NS(=O)(=O)c1c(C)cc(F)cc1C#N)c1ccccc1Cl 1475012515 GSVWGGLZKFXBQH-OAQYLSRUSA-N 444.915 4.736 30 10 IJEE Cc1ccc(C2(CNS(=O)(=O)c3ccc(C#N)c(Br)c3)CCCC2)c(C)c1 1475343570 BFBLYCICCMNVQA-UHFFFAOYSA-N 447.398 4.728 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1)C(C)(C)C 1476007267 RHKRJJMXXDYGDZ-IBGZPJMESA-N 431.895 4.909 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 1476510729 YLVYYERYXHRTHJ-UHFFFAOYSA-N 443.290 4.909 30 10 IJEE C#C[C@@H](NC(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1478895223 CCRMMUXRXGRDCP-FXAWDEMLSA-N 433.980 4.741 30 10 IJEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)C1 1493695332 FGRPIPWERRATJX-OALUTQOASA-N 434.613 4.635 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2C)C1 1503318424 BLGVGDRGZRATRW-SFTDATJTSA-N 432.597 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC1(C)C 1507532486 KZMWBZUOTIAVEL-ZCNNSNEGSA-N 443.636 4.677 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1507537201 SRALFWRABXIEFJ-NIRIFSCTSA-N 447.652 4.780 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1507575947 WXBNUFDSCAKONA-JOCHJYFZSA-N 438.641 4.935 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1sccc1C 1507618533 OBVBLBDXJLLFJO-UHFFFAOYSA-N 435.380 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)N(CC)CC 1507765091 XSMLWSQRAPBAQL-MPCDZSKCSA-N 439.673 4.854 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507827090 SFPHUSXPIRFZNN-IRXDYDNUSA-N 432.410 4.511 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(Br)c1 1507827308 GNOYXOZUWRFMLA-UHFFFAOYSA-N 432.753 4.969 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1507851160 GZHNZQCTECCIOP-FQEVSTJZSA-N 437.613 4.600 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2OCCC2(C)C)CC1 1507897469 OPZJTXCVGATXIH-LJQANCHMSA-N 445.405 4.925 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C(C)C 1507955022 USBLTWISEWFQDJ-HXUWFJFHSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1Cc1cc(C(C)(C)C)no1 1508006352 PDKHBLJURLLWBC-HXUWFJFHSA-N 439.535 4.795 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1508117902 PDTMFPZHSIXIHT-PKOBYXMFSA-N 449.452 4.676 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](OC)C(C)C)C1 1508118019 QGXRXZZPTHDTQJ-WOJBJXKFSA-N 444.645 4.728 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C)C1 1508151420 LVKMSEWKBOSRHC-GOSISDBHSA-N 430.618 4.896 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1508155025 HSQWWJDWPAMGOK-UHFFFAOYSA-N 431.968 4.997 30 10 IJEE C=CCSCCn1c(CC)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1508162020 JJLUTDCPENCBQF-UHFFFAOYSA-N 443.617 4.669 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2F)C2CCC2)nnc1-c1ccco1 1518916965 WHLSVNWMDMXBSY-UHFFFAOYSA-N 440.544 4.927 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 1521898509 TTZOTBHVBAKWTK-WOJBJXKFSA-N 437.536 4.777 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)Nc1nc(-c2ccc(I)cc2)cs1 1524961491 RICVLPNDGWEWRF-KRWDZBQOSA-N 442.322 4.582 30 10 IJEE C=CCC(CC=C)C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1527058672 XPLMCLRRJZAVBJ-UHFFFAOYSA-N 425.554 4.736 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCOc4c(Br)cccc43)c2)c1 1538381707 HMHBXMATYURPSD-UHFFFAOYSA-N 449.304 4.939 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C1CCCCC1)N(C)C 1539154704 MOWIBQNIPLKPBD-RXVVDRJESA-N 439.673 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(OC)CCCCC1 1539300716 XCIYOBYJYZMMOC-UHFFFAOYSA-N 441.579 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1cc(Cl)c(OC)c(OC)c1 1539564344 XLBVOTKYSCMWON-XMMPIXPASA-N 442.991 4.722 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H](C)CCC 1539619451 FWZHSLPWAPVSHN-CUWPLCDZSA-N 427.549 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1539623746 OLNCCUDNWWTSFB-PXNSSMCTSA-N 448.489 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(OC(C)C)nc1 1539672263 WGHCOUHGZSZFRD-UHFFFAOYSA-N 441.526 4.780 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1nc2cc(Cl)ccc2s1 1539673948 BAJSZBOSHFSSPF-UHFFFAOYSA-N 438.988 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(OC)C2CC2)CC1 1539831607 KHEXSPSFHKWXGL-NRFANRHFSA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Br)cc1 1540092964 UOYSGYRKKUMSAP-RTBURBONSA-N 447.421 4.824 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CC1(OCC)CCCC1 1540137107 PTWZRTBDASLINK-NRFANRHFSA-N 442.579 4.853 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1c(CC)noc1C 1540140358 OMHCWVPBAULBPN-UHFFFAOYSA-N 444.564 4.978 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)C 1540151293 FYKQDGOOCZZRAH-NRFANRHFSA-N 429.653 4.638 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCn2ccnc21 1540155100 LMCLDBLRSAMGAA-RBUKOAKNSA-N 436.535 4.510 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@H]3c3ccc(OC)cc3)n[nH]2)c1C 1540600547 RGNPEEGMUGRRMR-QHCPKHFHSA-N 433.556 4.842 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(CCC)CC2)cc1 1540877737 DIZYEPHQJKNDDS-UHFFFAOYSA-N 439.648 4.790 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cscc2C)C1 1540892168 GXYNKSVXSNWWJY-FQEVSTJZSA-N 428.989 4.722 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 1542970679 XNSKUIJGSNQXLI-KGLIPLIRSA-N 432.735 4.710 30 10 IJEE CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1544083370 GDYWRLHISJTEBI-OAQYLSRUSA-N 435.524 4.676 30 10 IJEE Cc1ccc(CC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)cc1C 1545077695 CGAYJPSGQUNBFH-JOCHJYFZSA-N 449.982 4.663 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccc(C(F)(F)F)cc1 1546025375 IJOWTHKDMZLLKQ-QGZVFWFLSA-N 447.482 4.678 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)SC)cc1OC 1547264388 GEQMSVYOZZSTPJ-QGZVFWFLSA-N 443.617 4.624 30 10 IJEE O=S(=O)(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1F 1561879555 GXMISCOQXHWPTK-GXTWGEPZSA-N 427.341 4.698 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1Cc1cccc(OC)c1)c1ccc(Br)cc1 1565000251 VNMPVIHGQIHKSX-CTNGQTDRSA-N 427.342 4.549 30 10 IJEE C#Cc1ccc(CNC(=O)CCc2cc(Br)c(Br)s2)cc1 1583382436 XDTHMDTUFWIZGX-UHFFFAOYSA-N 427.161 4.503 30 10 IJEE COC1(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)CCN(C(=O)OC(C)(C)C)CC1 1584028416 AMZHKTZYUBICMB-GJZGRUSLSA-N 447.601 4.660 30 10 IJEE C#C[C@H](NC(=O)c1sc(Cc2ccccc2)nc1C)c1ccc(Br)cc1 1584707575 AHSRYYNFKSMTFI-SFHVURJKSA-N 425.351 4.909 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nnn(-c2cccc(Cl)c2)c1CCC)c1ccccc1 1586028131 YQLKGXAQLCDPIU-LJAQVGFWSA-N 428.945 4.727 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sc2cc(Br)ccc2c1Cl 1586782173 CKABDEQWBJIGPB-UHFFFAOYSA-N 442.762 4.734 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccnc1 1587561934 JBQFIHYLIRGOAZ-MOPGFXCFSA-N 437.975 4.784 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1588117757 PNJIPLMQEOBILS-RBUKOAKNSA-N 437.469 4.860 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@@H]1C 1588283983 JNGYWQHKYIFIIN-FQEVSTJZSA-N 439.673 5.000 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC1(C)C 1588580944 ADRXCJMSDXVKPI-LJQANCHMSA-N 435.597 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)Cc1cccs1 1589224156 XJKNECFKPAJIPZ-UQBPGWFLSA-N 434.609 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCOC 1589506452 WKIPIWVZNAEUTH-KXBFYZLASA-N 439.387 4.706 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCCCCC2)CC1 1594134763 WIHFLDBFRZTWHI-UHFFFAOYSA-N 425.646 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C)[C@@H]1C 1594472326 DHAOWCRPCWUFDY-DLBZAZTESA-N 428.602 4.649 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1 1594830185 URVNZEJYSPWGFK-VLCRHTCISA-N 442.604 4.692 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1Cc1cn2ccc(C)cc2n1 1595085413 VFFYXMZYYLONJO-HXUWFJFHSA-N 439.567 4.860 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CCC)C1 1595094742 YBJAPPNYCFEXCX-HSZRJFAPSA-N 444.583 4.643 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C(C)C 1595170779 JNSNYASHFOBWDQ-BKMJKUGQSA-N 443.680 4.886 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC[C@@H](C)C2)C1 1595688388 IDMWPTXBNVFOQH-MBOZVWFJSA-N 445.405 4.925 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(C)C)CC2)c(C)o1 1611902942 DEVSJZIGPIPMDN-AREMUKBSSA-N 447.583 4.807 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccccc2C)nc2sc3c(c2c1=O)CCCC3 1613283340 BQIWUJKKGDOBSA-IBGZPJMESA-N 440.590 4.838 30 10 IJEE CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1=O 1618313184 IADAWETXIVVUCL-MXSFIFILSA-N 429.564 4.851 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1 1625078356 WLVKMLXNGHTDHF-WZONZLPQSA-N 439.397 4.583 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCC1(C)C 1626454469 PWLXGNMEDMQTCV-QFIPXVFZSA-N 442.581 4.703 30 10 IJEE C#C[C@@H](NC(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21)c1ccc(Br)cc1 1627872409 NXJMPXGQJLWHGB-MJGOQNOKSA-N 437.259 4.827 30 10 IJEE C#CC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O)c1ccccc1 1632034929 OGTRWEQUFXIGAC-INIZCTEOSA-N 433.817 4.745 30 10 IJEE CC(C)[C@@H](C(=O)NCC1(CC#N)CC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1634427700 FZYWNJKQIQUPBC-DEOSSOPVSA-N 445.563 4.702 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1634721252 YZKCRWQTEKAZLN-DFBJGRDBSA-N 432.564 4.954 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1635191242 DXXAPPOGMMPHCV-RTWAWAEBSA-N 442.918 4.804 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 1637345113 KCYBLYSXFSJBMN-JOCHJYFZSA-N 436.527 4.585 30 10 IJEE C=CC1(CC(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CN(C(=O)OC(C)(C)C)C1 1641157268 FGCWWLBCKKNZTG-CQSZACIVSA-N 432.952 4.549 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1647997898 GHNCUKHDBYXZTD-RUZDIDTESA-N 425.488 4.718 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)C(=O)OC)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1652384367 DAJGEAUGZHTHHF-ZFWWWQNUSA-N 447.626 4.566 30 10 IJEE C=CCC[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1 1654686093 ARBNIQDCPRVHLC-YADHBBJMSA-N 447.000 4.572 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)Nc1ccnc(C#N)c1)CC(C)(C)O2 1663858119 AIVWMGDTVUGIGP-GOSISDBHSA-N 437.500 4.724 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1666389418 GKEGTSMJCGSTHX-IBGZPJMESA-N 444.938 4.924 30 10 IJEE N#Cc1ccc(NC(=O)NCCc2nc3cc(Cl)ccc3s2)cc1Br 1669823316 DTQWVVOJBRFMOG-UHFFFAOYSA-N 435.734 4.948 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cccc(OCc2ccccc2OC)c1C 1670449151 HQQURGVLSFJUTG-UHFFFAOYSA-N 430.504 4.916 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1cc(N2CCOCC2)ccc1Br 1671419912 QCOLINZGPXZDNY-UHFFFAOYSA-N 430.346 4.506 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC[C@@H]1OCCc2ccccc21 1672712284 NZJWJGKBOXPBQS-IBGZPJMESA-N 431.330 4.840 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CC)COCC(F)(F)F 1681392314 ODCBIVYDQFPESP-AWEZNQCLSA-N 441.263 4.643 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1)c1ccc(Br)cc1 1682357140 UDMTWGUCXUQJFV-PGRDOPGGSA-N 446.433 4.810 30 10 IJEE C#C[C@H](NC(=O)N(CC)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1683521513 GVANJTUXCNOUPG-IBGZPJMESA-N 437.943 4.584 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CCC#N)CC1CC1 1689915400 ZURJKRIEJUOQTG-UHFFFAOYSA-N 430.581 4.921 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OCCC 1689951327 TWPVSLJSJOGSEO-UHFFFAOYSA-N 435.597 4.577 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(OC)CCC(C)CC1 1689954383 XFYILHYZLKLGJB-UHFFFAOYSA-N 449.368 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(O)(CCC)CCC 1690193629 OFMLYIMRUXSUQC-YADARESESA-N 442.579 4.881 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cl)cc1F 1690198587 UWERISWYHGMBKL-OAQYLSRUSA-N 430.314 4.826 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(CC)CCc1cccs1 1690241565 UIQCAMZCRZTIFA-WIYYLYMNSA-N 426.586 4.958 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)CC 1690253707 SJKYXLKHXJOJTM-JLGINSKQSA-N 426.605 4.937 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@@H]1C 1690300485 CPCUQPSJRCZOTJ-ICSRJNTNSA-N 430.618 4.569 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(C)c1 1690328216 HIHIJCBQNYRLCR-MRXNPFEDSA-N 449.386 4.811 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1690430401 KEAJXFHFEDHUAF-HKUYNNGSSA-N 431.625 4.887 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CC)(CC)C1)c1ccccc1 1690447414 OMJIUKSSDWGLAN-JOCHJYFZSA-N 435.616 4.777 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1690455227 FQNXWMOXIYHJMF-GOSISDBHSA-N 425.508 4.785 30 10 IJEE C=CCCOCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCSCC1 1690497786 WSGRHKYLQSXXPW-UHFFFAOYSA-N 441.626 4.523 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1690500249 PLOSBANPDNILIB-PZJWPPBQSA-N 434.588 4.943 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1690511153 RAHVTKZBMCABCI-RTBURBONSA-N 432.659 4.802 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(Cl)nc1 1690520025 HFDJCJMDBQTRCZ-UHFFFAOYSA-N 436.716 4.566 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nccc(C(F)F)n1 1690585600 PFTBNYLFKADJRW-UHFFFAOYSA-N 447.493 4.756 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOC[C@@H]1C 1690586365 LQQJETGODYWNIU-GJZGRUSLSA-N 437.407 4.620 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1690737800 XVUXGKYJFYHZGF-QZTJIDSGSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1690747161 UWZWHEJGTPCFJI-OAQYLSRUSA-N 433.710 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)Cc1cccs1 1705489115 KDORKFNXFZMLIU-MOPGFXCFSA-N 430.581 4.529 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(COC)CCCCC1 1705490968 UVMBWTGQNPJHDR-IBGZPJMESA-N 433.556 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CC(OC(C)(C)C)C1 1705506457 YWUFKVWCXLOZON-BEQLGVGBSA-N 430.637 4.638 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1cccc(Cl)c1 1705698957 ATQYMPDPWQAJNP-NQIIRXRSSA-N 430.980 4.695 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(F)c1 1705705872 MDXMOEFOCCBGCA-SIKLNZKXSA-N 426.561 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1705764611 GDGSGTSNXDGMHJ-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCC[C@@H]21)c1ccccc1 1705795210 FCAWEUAAMGSVGL-XPNTWCBSSA-N 435.616 4.935 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCCN1CCCC[C@@H]1C 1705864393 AFHGWIRUIMHSBN-NZQKXSOJSA-N 441.595 4.726 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1csc(Br)c1 1705892425 DXKBUHVIOGJKEZ-UHFFFAOYSA-N 442.386 4.928 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2CC(F)(F)C2)C1 1705914891 GCPSQAGFKBERCO-ICSRJNTNSA-N 446.542 4.862 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2OC)CCC1 1722284685 ZGDAZACKSWQWDA-QGZVFWFLSA-N 435.959 4.582 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCC2=CCCCC2)c1 1722304830 JCXVBWKQNDXVLA-UHFFFAOYSA-N 443.551 4.793 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC(F)(F)F 1722325735 NYRFHQDSSDHWQK-UHFFFAOYSA-N 445.283 4.518 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)C(C)C 1722403731 CHAGSWYFLGEOSY-HSZRJFAPSA-N 426.561 4.679 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CCC(=O)Nc1cccc(Cl)c1C 1722512520 FPVGNCIDCXNKIG-UHFFFAOYSA-N 440.979 4.677 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(C)(F)F)CC1 1722560726 DBAJUKLYULHEGM-UHFFFAOYSA-N 441.320 4.918 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C)C2CCCC2)CC1 1722561612 XVALXXYKOPWUDH-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ccc(C#N)o2)CC1 1722575494 LMXHFYGTSJBCCC-UHFFFAOYSA-N 447.539 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C)[C@H]1C 1722585073 PZYYQNFIUBJUNK-KGLIPLIRSA-N 438.439 4.968 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1c(F)cccc1Cl 1722633015 MFWMCTSWWLNFSG-UHFFFAOYSA-N 438.732 4.509 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@@H](C)C1 1722667293 CZGLTVIBLNQGMH-GJZGRUSLSA-N 437.407 4.763 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)S[C@@H](C)C1 1722707800 ZHQJHHFPMWLKSJ-OALUTQOASA-N 435.597 4.592 30 10 IJEE CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1727150072 AIKVWBRBPNLIHE-UHFFFAOYSA-N 439.604 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1740557862 RGWHUDJUSKPPQS-APWZRJJASA-N 449.624 4.561 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OCC2CC2)CC1 1740573132 JKUXRCKCEHJXQJ-UHFFFAOYSA-N 426.992 4.721 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1740576226 ZOAHUGWKCBDLHD-PMACEKPBSA-N 445.652 4.800 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccccc1OCC 1740603561 XAHDWMYEFHVRMJ-SFHVURJKSA-N 434.609 4.842 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(C)(C)C)C1 1740758663 AHWYIRAZZFECOM-HFMPRLQTSA-N 438.616 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn2ccsc2n1 1740766457 HCVFQEPQKSDFHH-INIZCTEOSA-N 440.548 4.717 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccccc2C)C1 1740778071 DTCJMPBYEUXZGU-KRWDZBQOSA-N 440.389 4.925 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 1740785480 IHIXPIAKKZTLPZ-UHFFFAOYSA-N 429.996 4.541 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@H]1CCCCN1CC 1740936371 RIHHYLPGPJXVEI-HXUWFJFHSA-N 437.563 4.787 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC=C(C)CC1 1740996897 KFSDVOILUKROFY-UHFFFAOYSA-N 437.382 4.922 30 10 IJEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2C)s1 1742620273 HQSMQEFKNOIZOC-LPHOPBHVSA-N 436.585 4.566 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1746990648 AEWMSNLLNKLSEI-UHFFFAOYSA-N 441.645 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccsc1Br 1748653891 CXFAKFDQLHGLHR-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCSCc1ccccc1F 1748656584 TVOCRDZJKUNPKB-HNNXBMFYSA-N 429.952 4.524 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCC[C@@H]2CC)c1 1748694320 DUVLFDONSLFBBC-XZOQPEGZSA-N 447.627 4.893 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1748721223 FAIRMENSBSBTEM-YKSBVNFPSA-N 429.568 4.664 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@@H]1C(C)C 1748773274 VOKIMNOTAWWADL-QKNQBKEWSA-N 445.007 4.819 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCCS1 1749080903 XKSUUHXUMPINDM-WZONZLPQSA-N 442.654 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccnc(OCc2ccccc2)c1 1749156081 QXWMLTVKTPQBMY-HSZRJFAPSA-N 447.583 4.944 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1C[C@@]1(C)OCCc2sccc21 1749537601 LZWRCINVYHWYED-XMMPIXPASA-N 438.597 4.557 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCCCC1 1749539123 UHANIDUTYLUNRB-VWNXMTODSA-N 437.632 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1OC 1749552500 DEIBJLLMEQKRKR-XLIONFOSSA-N 443.642 4.703 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)OCCCO2 1749585840 DKPQGGIVXNBYQI-UHFFFAOYSA-N 436.556 4.613 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC1C[C@H](C)O[C@@H](C)C1 1749592291 GKSGRSPFMOKOLW-SFTDATJTSA-N 438.616 4.591 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1749749764 PVGGRMJWOSJDPG-IAGOWNOFSA-N 448.658 4.602 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1csc(-c2ccco2)n1 1750062681 HUJPNAJRGYTPHS-CQSZACIVSA-N 438.944 4.959 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760158635 QIOILZAYBKFGOY-QHCPKHFHSA-N 446.599 4.542 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(C)s1 1760213276 WXAJOQNOTRNKOK-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@H]1C(=C)C 1760227441 FHQHUCRBHWRDLE-RDGATRHJSA-N 443.595 4.793 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CC=CCC1 1760278311 QLAYWWUMHPYANO-QGZVFWFLSA-N 445.430 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCC(F)F 1760324519 KYQXYUITAZVXRM-AVRDEDQJSA-N 434.531 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCn1cc(Br)cn1 1760333014 VAXAMRQULADRSN-UHFFFAOYSA-N 449.784 4.660 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCCN(CCC)C(=O)C1)c1ccccc1 1760418056 MAXPUDLAIDFTSR-QHCPKHFHSA-N 435.616 4.744 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@H](SC)C1 1760569520 QTTNPYXCZIZGSY-FQEVSTJZSA-N 432.659 4.807 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1 1761077694 GBESZOVCVSHGOU-IBGZPJMESA-N 444.624 4.916 30 10 IJEE CCC(CC)(Cn1c(C(C)C)nnc1N1CCN(c2ccccc2C#N)CC1)SC 1762119934 BSVUGLXAOYTNQB-UHFFFAOYSA-N 426.634 4.522 30 10 IJEE CCCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1763909519 AORWLHAYQRWQQB-FQEVSTJZSA-N 432.341 4.730 30 10 IJEE COc1ccc([C@@H](C)CCn2c(CC3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1769958263 CSSLUQAQRYTJHE-UUOWRZLLSA-N 425.552 4.655 30 10 IJEE COc1cc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)ccc1O 1772734530 FTIUXKNQLVWDAT-QJDZWDSLSA-N 446.484 4.908 30 10 IJEE CCCN1C(=O)/C(=C/c2ccc(O[C@H](CC)C(=O)O)cc2)SC1=Nc1nc(C)cs1 1772763557 BEUUYFMVMLAZLZ-PXMQSNMNSA-N 445.566 4.708 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)OCc2ccc(CN(CC)CC)cc2)cc1OCC 1860737994 WWKUDJPLSSHXMI-FYWRMAATSA-N 439.552 4.652 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCN(C)C)cc1 1862432277 ARPZSELRXDGHPY-OAQYLSRUSA-N 426.944 4.603 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 1862477441 XDNNBMGIKSMYKB-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OC)cc1 1862524818 ONFKFNHKYZUABK-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Br)c1 1862527183 RDWHNTKVDBRDNS-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862583981 NSVYBVCJMODVHK-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc2ccccc12 1862592432 CSIFDXVIPBDPNO-DEOSSOPVSA-N 445.515 4.939 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Br)c1 1862599517 HVZZQIYERBNQID-IBGZPJMESA-N 444.325 4.779 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 1862627086 JPASDHRJESQFHN-JOCHJYFZSA-N 437.467 4.856 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1c(F)cccc1Cl)c1cccc2ccccc12 1862652045 DXYPVMNINMSHCH-OAQYLSRUSA-N 439.870 4.593 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(F)c1 1862703303 TYUAJVWMAQBWBW-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Br)ccc2F)c1 1862709475 XBOMGMDVPITUKU-SFHVURJKSA-N 448.288 4.584 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2ccc(F)cc2)C1=O 1863507613 XXQIZSJSCBCDHP-UHFFFAOYSA-N 440.563 4.602 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(F)c(C)c2)C1=O 1863791974 QEMYPKAKJKDQMH-UHFFFAOYSA-N 432.580 4.979 30 10 IJEE N#Cc1cc(Br)c(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1 1865955677 RIMRGAFVRSDLBL-UHFFFAOYSA-N 428.511 4.918 30 10 IJEE N#Cc1cc(Br)c(NC(=O)Cc2c(F)cccc2F)c(Br)c1 1866156328 BLSDUVMGZBXEON-UHFFFAOYSA-N 430.046 4.543 30 10 IJEE CC[C@](C)(NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866772989 WEWOQWJVBSBZMD-LVXARBLLSA-N 435.568 4.929 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1 1868715518 JUIFDLYOFXGCRG-QHCPKHFHSA-N 426.507 4.582 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)c1ccccc1 1868840433 SJPKBRXLILEZDR-DYESRHJHSA-N 441.369 4.611 30 10 IJEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)CCCOc1ccc(Cl)cc1Cl 1870111902 HNMVGVVBNCXETK-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CSc1ccccc1 1870248857 DINZFINHYNIXEW-UHFFFAOYSA-N 448.544 4.547 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871345910 ZIVGNTRDQPOPOH-CFRMEGHHSA-N 441.483 4.750 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)NC4CCCCC4)c3C)C2=O)cc1 1871438039 LJBYPCSVUYBYLI-HAHDFKILSA-N 435.520 4.838 30 10 IJEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCCN3CCOCC3)ccc21 1871449782 WRBHTWDZUAMZRV-ITYLOYPMSA-N 427.500 4.681 30 10 IJEE CCCCCCCCCCN=c1[nH]c(=NCc2ccccc2)[nH]c(=NCc2ccccc2)[nH]1 1871463772 UQRSATDNIHDTQG-UHFFFAOYSA-N 446.643 4.914 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871960076 XICUXHUYFSNDAY-KSSFIOAISA-N 435.417 4.965 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872167413 SMDGXLNFAKQSHU-REWPJTCUSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872571755 LXNQEBWMBCHEMQ-XXBNENTESA-N 428.598 4.924 30 10 IJEE C=CCOc1ccc(-c2no[nH]c2=NC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1 1873439292 UUGAJTYAIZUAAY-HSZRJFAPSA-N 425.488 4.688 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N(CCC)CCCC)ncnc2n1Cc1ccco1 1873564580 XJQFOVDZDVBSEU-UHFFFAOYSA-N 435.572 4.903 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(C)cc(C)c1)n2CCCOC 1873656564 DOIIUBOVIDIMLZ-UHFFFAOYSA-N 433.556 4.515 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SC)cc1OCC 1874346178 YSGYTBAORSCBGX-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(F)cc1 1874369809 SHZIBDKIENRMTB-FSJBWODESA-N 432.908 4.665 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccccc2)o1 1874402493 DARUZOPOGJNVBW-PCLIKHOPSA-N 446.532 4.617 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(O)c2)cc1 1874452700 JBSHKGGVBCVOKU-MFKUBSTISA-N 449.580 4.817 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OC)cc1OC 1874476535 OURZFLXVWHGCDR-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(F)c2)c1C 1874483037 AWNWIGDVTCAGQN-DHRITJCHSA-N 439.560 4.945 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(F)c2)c(C)c1 1874487069 XYLPXWVICDRODQ-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CC2)c1 1874516731 IKJPMPGAWKGDCQ-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1c[nH]c2ccccc12 1874518125 CSKKZIVJCIOVID-DHRITJCHSA-N 430.537 4.558 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(Br)cc2)cccc1OC 1874574469 OIGOAQVTDMBYQV-SDNWHVSQSA-N 446.341 4.601 30 10 IJEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(OC)ccc3OC)ccc2OC)cc1 1874704625 VQKAAHCKLJPOMG-LFYBBSHMSA-N 448.471 4.836 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707826 YMGUIORNALXYTO-PKNBQFBNSA-N 432.428 4.548 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccncc1 1875094289 LCWAKYCUKPGZFH-CMDGGOBGSA-N 444.443 4.842 30 10 IJEE COCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1875111448 BRPMXRKLUZHTJN-BQYQJAHWSA-N 439.689 4.559 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 1875151231 AXJJIIVZTJRFGG-XCVCLJGOSA-N 432.428 4.548 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1c[nH]c2cc(Br)c(Br)cc12 1914563799 MZRIBZNZHGRHKQ-UHFFFAOYSA-N 446.142 4.969 30 10 IJEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1945793909 DWFVGWVAMYEQPS-VQIMIIECSA-N 433.549 4.880 30 10 IJEE O/N=C/c1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079232263 RAWDGHGPGJWWKI-LKNXVUQUSA-N 434.109 4.679 30 10 IJEE CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C)c(C#N)c1I 2079932954 FYZINQYFFDTCHM-ZDUSSCGKSA-N 437.178 4.825 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1cccc(Br)c1C#N 2105983765 QECPDBTZOBNWEU-QGZVFWFLSA-N 430.293 4.767 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2ccc(Cl)c(Br)c2F)C1 2126685634 SVUSXUZZEDSLAN-CQSZACIVSA-N 447.776 4.973 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)c(Br)c1 2156284073 JALJIGOFXFKLQL-UGKGYDQZSA-N 426.358 4.556 30 10 IJEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)c1cc(Cl)sc1Cl 2157037712 JUNGJXWNJGOIRW-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2ncc(Br)cc2C#N)C1 2162310513 QHQFPIJDMPJPFH-UZLBHIALSA-N 435.366 4.697 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2174766078 UGVRSLAPUFTOCL-CFVMTHIKSA-N 438.341 4.684 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3cccc(Br)c3Cl)c2)OC1(C)C 2178284385 BBPRPKRWKDMRPT-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CC(C)(C)OC(=O)NC1(CCC(=O)Nc2ccc(C#N)cc2Br)CCCC1 2181103726 RLRVPRYJVXDAGB-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2ccc(Cl)cc2Br)C3)OC1(C)C 2194123396 HLMYBSNJBUPSFB-HXPMCKFVSA-N 440.574 4.801 30 10 IJEE C=CC1(O)CCN(c2sc(Br)c(Br)c2Br)CC1 2216419675 LCLLVIIKKJBXPZ-UHFFFAOYSA-N 446.002 4.553 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2235729107 NFSFYBBSFLOJKR-RTBURBONSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2235747784 SOGYUJNORUEMMY-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE Cc1cnc(NCc2cc(Br)ccc2Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2241053482 BZOOHKNYWSKEGT-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2249379897 AHAMPLWFHYLWTB-UHFFFAOYSA-N 431.744 4.829 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2255617575 WAZOXFSICNKSMK-TZWRJOPASA-N 427.394 4.701 30 10 IJEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1CCCC1 2267518603 FLRTWANAGXGIDI-UHFFFAOYSA-N 435.373 4.579 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(Nc1cc(Br)ccc1C#N)C2 2270310425 DNVGTNSMGHMHTD-HZPDHXFCSA-N 438.391 4.616 30 10 IJEE N[C@H](C#Cc1cccc(Br)c1)c1ccc(I)c(Cl)c1 2278794846 ZHIRQZJRPSDMBO-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE C=CCCC1([C@H](N)Cc2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2281037648 LHEPQKZICNIBAZ-OAHLLOKOSA-N 445.348 4.800 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc(Br)c2C#N)[C@@H](C(F)(F)F)C1 2281039195 AFHJMWZMVFXMEF-IAQYHMDHSA-N 448.283 4.745 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1c(F)cccc1I 2282787065 MGIUXRZSPCACAE-HNNXBMFYSA-N 444.085 4.505 30 10 IJEE C[Si](C)(C)C#C[C@@H](OCCC(=O)O)c1cc(Br)c(Br)s1 2290653848 AWBNNOJUGUJFDX-SNVBAGLBSA-N 440.229 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCCC(=O)Nc2ccc(Br)c(C#N)c2)C1 2296100304 CHKPTFHQMYEYPU-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@H](O)C#Cc3cccc(Br)c3)CCC[C@H]21 2296216908 OXYYVLBUNLIPNP-UAFMIMERSA-N 434.374 4.587 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2296266501 JCYIWKIMPLARLW-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C 2296268533 GANDOYDZUCBPKH-XNFNUYLZSA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(N)C#Cc2cccc(Br)c2)C1 2296279317 NODPYLIBWGGMKI-FCHUYYIVSA-N 433.390 4.699 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CCCC1CN(C(=O)OC(C)(C)C)C1 2296284683 TVSJBKDKVNYWRD-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CN(CC(F)(F)F)C(=O)OC(C)(C)C 2296288269 FBRQBPPSLSRNKD-MRXNPFEDSA-N 449.311 4.578 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@@H](N)C#Cc2ccc(Br)cc2)C12CCC2 2296311144 SQYGLSJUORXUCQ-YTQUADARSA-N 433.390 4.602 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=Nc1ccccc1C(=O)O 2314926580 MLMAJTMXYIYJSJ-UHFFFAOYSA-N 438.505 4.582 30 10 IJEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccncc3)C4=O)C2)cc1 2322437212 NACUWSGODWYNOI-QGZVFWFLSA-N 428.488 4.928 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2323473314 KILAYHADLQBNFX-VVZHRXSXSA-N 442.600 4.945 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C)c2C1=O 2325019816 UJPXKEQSPGYYQC-SFHVURJKSA-N 443.499 4.876 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3cc(OC)ccc3OC)ccc2OC)cc1 2325743739 VQKAAHCKLJPOMG-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccn1 2325883936 GOXOEEFJTSNHOW-UHFFFAOYSA-N 429.549 4.998 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccccc1O 2325893777 GGHYFKNYXBHKHH-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE CCOc1cc(C=Nn2cnnc2SCc2ccc(C)cc2)cc(Br)c1O 2326287353 DUBXSGWVVPQTKQ-UHFFFAOYSA-N 447.358 4.628 30 10 IJEE CCOc1ccc(C=CC(=O)N[C@H]2CCNC[C@H]2C(=O)C=Cc2ccc(C(C)C)cc2)cc1 2328297477 PPNUKXUHGADWAI-FTJBHMTQSA-N 446.591 4.599 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(F)cc1F 2328380851 SQOGICFOTGQFCH-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1cccs1)Nc1nccs1 2330260509 PKGFVOJOOOVOQT-UHFFFAOYSA-N 446.627 4.532 30 10 IJEE O=C(CSc1nnc(C(F)(F)F)n1N=Cc1cccc(Cl)c1)Nc1ccccc1 2331109434 YJZQQCKUVMZISC-UHFFFAOYSA-N 439.850 4.563 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331432533 FEKTVOORDFOBDK-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2)c(C)c1 2331473769 AYAHNWQPPYSBHB-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2)c(C)c1 2331545260 PDKYYJDFMDMTDI-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)[C@@H]1CCCO1 2331552535 VSFJDTPVIIIBIY-QHCPKHFHSA-N 438.520 4.982 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Br)c2)c(OC)c1 2331723923 QLKURIIOXPDTDN-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2)ccc1Br 2332187117 BQDYJCJHEXRLQJ-UHFFFAOYSA-N 442.704 4.515 30 10 IJEE N#Cc1cc(Br)ccc1N[C@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2374896912 BSKTYVGTLICQJU-PZJWPPBQSA-N 429.314 4.715 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NC[C@H]2CCCO2)cc1 22691231 DOCBUYLOKSCWDN-LJQANCHMSA-O 447.571 4.863 30 10 IJEE Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)c3cccc(C#N)c3)CC1)=N2 34813765 AXASIAIJDYKYET-UHFFFAOYSA-N 436.515 4.817 30 10 IJEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccnc2)C4)cc1 41646351 ZSPNGTIWHPAQHG-FMCGGJTJSA-N 428.488 4.757 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1OC 41653399 CISVFJHKEDIETK-MSXFZWOLSA-N 447.462 4.811 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1ccc(C(F)(F)F)cc1 59311192 ZBHMMDJDHTXVLW-UHFFFAOYSA-N 426.468 4.676 30 10 IJEE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101109913 AFYFVUFHIQIPCC-MSXFZWOLSA-N 439.368 4.657 30 10 IJEE CCc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccccc3OC)C(=O)c3ccccc32)cc1 103746747 VEBBDQBONDHECI-HPNDGRJYSA-N 446.528 4.628 30 10 IJEE CCC(CC)c1nnc(S)n1/N=C\c1cc(OC)c(OCc2ccccc2)c(OC)c1 169910213 AIGXOUINFQUSCK-OYKKKHCWSA-N 440.569 4.949 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccnc2)cc1 170007030 BEEISKYAEDPMLK-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2c[nH]c3ccccc23)cc1 170077426 QSFKHAVPRQGDNC-DEOSSOPVSA-N 437.499 4.904 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170094610 OAKAXWIZDMWRED-JOCHJYFZSA-N 442.427 4.767 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 170131156 NAAVBVOWZYOQKA-JOCHJYFZSA-N 428.419 4.796 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)cc1 170183191 LTCCOVWMFJEFJC-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)cc1C(C)C 170237554 QTOVJRRKDIBCBM-JOCHJYFZSA-N 441.499 4.573 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1F)c1c[nH]c2ccccc12 170248707 ULAIOIQORXBSRH-JOCHJYFZSA-N 428.419 4.796 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccco2)ccc1Cl 170295369 KJEVFENZIDSBKT-HXUWFJFHSA-N 447.915 4.725 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(N(C)C)cc2)c1 170443093 CMYUYAUWCMYIII-HSZRJFAPSA-N 446.503 4.917 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170452994 WBSMHADHIUPZDY-HSZRJFAPSA-N 446.503 4.917 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)SC1=Nc1cccc(C(F)(F)F)c1 252624395 PNFZODLOGOLONL-QGZVFWFLSA-N 435.471 4.994 30 10 IJEE CCc1cccc(C)c1NC(=S)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 254572122 DIKNTNVPXPLHNH-UHFFFAOYSA-N 446.551 4.934 30 10 IJEE Oc1ccc2ccccc2c1C=NNc1nc(Nc2ccccc2)nc(N2CCCC2)n1 254800757 YKNGVAZGCBMSIV-UHFFFAOYSA-N 425.496 4.520 30 10 IJEE Cc1ccc2c(-c3ccccc3)nc(NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)nc2c1 254839882 NLWNRSBDKXFQPZ-UHFFFAOYSA-N 427.420 4.688 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)nnc1-c1ccccc1C 481385040 BWKPEPHOHMMKRY-ZWKOTPCHSA-N 436.581 4.806 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)O[C@H](C)C2 503868179 CDXHTTKRBRBFRB-UWSIMGETSA-N 428.532 4.700 30 10 IJEE C=CCn1c(-c2cc3c(C)nn(-c4ccccc4)c3s2)nnc1N1CCC(C)(C#N)CC1 508694964 DFDKQQAZEJCDGA-UHFFFAOYSA-N 443.580 4.970 30 10 IJEE O=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 511429730 SAEANCDFORRGAH-HNNXBMFYSA-N 441.372 4.961 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 521807925 GERIMYQKZNAFJQ-UHFFFAOYSA-N 441.247 4.892 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)c(O)c2)cc1 526604691 VTCSEEGGWJGCHM-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526807219 OEGSALYKKZTUFY-FMCGGJTJSA-N 446.960 4.694 30 10 IJEE C=C(C)CN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(OC)ccc1OC 586249264 JBGGONXACDWMRL-UHFFFAOYSA-N 444.597 4.712 30 10 IJEE C=CCC1([C@@H](Cc2cc(Br)ccc2F)NCC)CN(C(=O)OC(C)(C)C)C1 722923449 RLPNQJAQXVIUOQ-GOSISDBHSA-N 441.385 4.922 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2cccc(Br)c2)[n+]2ccccc2)cc1 762445700 XHPLZBKLSBSUOX-UHFFFAOYSA-O 437.342 4.932 30 10 IJEE C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1cccc(OC)c1 768410697 GTPODVGUMBEIKE-UHFFFAOYSA-N 426.929 4.988 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc(Cl)ccc3OCC#N)CC2)CC1 792331151 BYGWPOIFZVQOGF-UHFFFAOYSA-N 433.980 4.855 30 10 IJEE C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2o1 804427494 BYMCJUJYKFVITB-INIZCTEOSA-N 436.943 4.879 30 10 IJEE C#C[C@H](NC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 811963037 FLZWKHVTGFGMNW-KRWDZBQOSA-N 438.742 4.991 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H](OC)c2ccccc2Br)C(F)(F)F)cc1 1128968390 KXTVDPIBAMAYNI-SJORKVTESA-N 427.216 4.965 30 10 IJEE C#C[C@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccc(Br)cc1 1129608367 DRKFQIZVUKOQPA-FQEVSTJZSA-N 437.293 4.506 30 10 IJEE C#C[C@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 1129731661 YBSBMZPEIORRBO-BBRMVZONSA-N 428.355 4.610 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)NCCc1cccc(-c2ccccc2)c1 1131603633 BWIBBQBOQFTSFU-UHFFFAOYSA-N 435.321 4.725 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)c(OC)c1 1184545339 PLCXFOARILCUEJ-UHFFFAOYSA-N 434.460 4.989 30 10 IJEE CCC1(CC)CN(S(=O)(=O)c2ccc(C#N)cc2F)c2ccc(Br)cc21 1210663301 AYDLCNUEOIXSLS-UHFFFAOYSA-N 437.334 4.727 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1220417091 LXMVFVJDRAEAON-SQNIBIBYSA-N 429.565 4.805 30 10 IJEE C=CCONC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1251128979 DKQLZJSBBBCQRM-KRWDZBQOSA-N 426.369 4.571 30 10 IJEE C=CCC(C)(C)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1251421196 BWADQDVJDANIIH-WOJBJXKFSA-N 433.568 4.820 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1)c1ccc(Br)cc1 1252457867 GJBIGMRTLQIDDW-UXHICEINSA-N 443.341 4.506 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(F)(F)c1c(F)cccc1F 1264178462 GIHIYSZDXVQNLN-UHFFFAOYSA-N 436.327 4.551 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2C(=O)NCCC)cc1OC 1264671422 CAKGLNBNPPAMBN-XFFZJAGNSA-N 428.916 4.705 30 10 IJEE COc1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1OCc1cn2ccccc2n1 1264705866 HXDIQMNUYCOPMT-NRFANRHFSA-N 426.476 4.558 30 10 IJEE C=CCc1ccc(OCC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c(OC)c1 1264961507 ZBLOAXOMEUNVSO-QFIPXVFZSA-N 442.987 4.627 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@](C)(OC)CC1 1286317413 FRNYIEXMDBIEMT-JOCHJYFZSA-N 445.405 4.907 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCC(F)(F)F 1286400506 HNSZBLCOJNNUPZ-UHFFFAOYSA-N 443.498 4.792 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)COCC 1286515154 FERQDAUQTAWMNC-AREMUKBSSA-N 431.584 4.857 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(C)noc1C 1286516828 LOCJKUGUQVNKRG-OAQYLSRUSA-N 430.339 4.897 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@](C)(C#N)C1 1286621419 HTHGPLRWJHXGAX-SFHVURJKSA-N 438.732 4.729 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2ncc(CC)s2)CC1 1286664278 UKBPJIGIXPYZDL-UHFFFAOYSA-N 437.613 4.830 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CCSC 1286672082 GJVYAAQPTPGJNY-YLJYHZDGSA-N 430.618 4.971 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286682542 QWBBKXJIGCTFAD-UHFFFAOYSA-N 426.952 4.578 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CCOC)CCCCC1 1286715711 QVCBMFFYBTYWMA-UHFFFAOYSA-N 439.604 4.756 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1286724176 INAUPCOTZSUNDX-WOJBJXKFSA-N 430.040 4.903 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CCCC(=O)N(C)C 1286747401 LLNSGBHYKHFWDC-UHFFFAOYSA-N 444.004 4.721 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)CC(C)(C)C1 1286798427 HOXMUAMMKKGVRX-LJQANCHMSA-N 448.615 4.625 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCSCC(F)(F)F)C1 1286803797 KBTBFIHSFPDNBO-MRXNPFEDSA-N 446.926 4.675 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)CSc1nccn1-c1cccc(Cl)c1C 1294181202 YCNIMIRUKVLEQY-UHFFFAOYSA-N 429.904 4.716 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 1299065037 ASJCSRXGZDJQMD-NRFANRHFSA-N 438.963 4.630 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1300363328 YBTHLDQPOKJOPY-SFTDATJTSA-N 428.964 4.555 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1300394569 SRVCDLCKQOKMKW-LJQANCHMSA-N 444.526 4.637 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCSC(F)(F)F 1300601300 FXBGFLMFRNGTLP-CYBMUJFWSA-N 432.899 4.784 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC[C@H](C)C1 1300734542 WSZBCMZJTMEINB-VQTJNVASSA-N 442.629 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1Cc1ccc(Cl)s1 1300817243 DZHPCLQQWLKRQZ-JOCHJYFZSA-N 442.972 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1 1300886016 UXUWTKHJUUXWRT-CVDCTZTESA-N 444.595 4.892 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nc(C(C)(C)C)cs2)CC1 1301087715 RHOBPXYSDJLNML-UHFFFAOYSA-N 437.613 4.836 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301198883 TUZWJVZEKYTFFB-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1c(CC)nn(C)c1CC 1301273959 ZETVOMHEPLBVAR-IBGZPJMESA-N 436.604 4.564 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1Cc1ccncc1Cl 1301405288 DASBTXDKGJXOIF-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1Cc1cccc(NC(=O)OC)c1 1301410201 AFBWXPBLWSOERE-UHFFFAOYSA-N 449.555 4.990 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](Nc2ccc(Cl)c(C#N)n2)C1 1307162423 GXAHUVYOWUQNTA-VQIMIIECSA-N 430.911 4.951 30 10 IJEE CC(C)Cn1c(SCc2ccccc2C#N)nc2ccc(Br)cc2c1=O 1307267595 FFGFCEZJLOVEBQ-UHFFFAOYSA-N 428.355 4.979 30 10 IJEE C#CC[C@H](NCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1)c1ccccc1 1307632122 HEXWSPOJTIJYGM-AHKZPQOWSA-N 437.543 4.727 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCc1ccccc1Cl 1309139675 VRWMKDOGHDJMFA-UHFFFAOYSA-N 446.769 4.802 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)CC1 1310967939 JYOHPFPFWQUGRH-UHFFFAOYSA-N 447.304 4.763 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br)[C@H]1CCCO1 1312541632 LAGZUXJROAOPBZ-VQTJNVASSA-N 447.398 4.712 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1314284621 GRQIKCQUVPIRFC-SFTDATJTSA-N 441.645 4.990 30 10 IJEE CC(=O)N[C@@H](C(=O)Nc1cccc(C#Cc2ccccc2)c1)c1cccc(Br)c1 1353353807 JPIQQXNAKQOGAV-HSZRJFAPSA-N 447.332 4.665 30 10 IJEE C#CCN(C(=O)Cc1ccc(F)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1353635667 UGIPAHMLVGVWRV-SFHVURJKSA-N 436.708 4.770 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)CCCN1C(=O)OC(C)(C)C 1353765087 YTGVERKFOHDTTL-RXFWQSSRSA-N 439.600 4.650 30 10 IJEE C=CCc1cc(CNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)cc(OC)c1OC 1358049657 XNDXDTBSVQVZPO-AUSIDOKSSA-N 444.369 4.789 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)C(F)(F)F 1359065883 GRLVTEJALNRTFR-JOCHJYFZSA-N 442.489 4.916 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccccc1F 1359098366 AJHQBMCDPSSCBQ-XMSQKQJNSA-N 430.568 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC[C@H]1C 1359110640 VTVDYKLQQDNDGN-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1359124381 ZWJRUFOBUSEFAM-UHFFFAOYSA-N 444.023 4.787 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2ccsc2)N(C)C)CC1 1359166265 LPJKQVFCTFOLAB-NRFANRHFSA-N 443.567 4.668 30 10 IJEE C=CCCCCn1c(N2CCc3cc(F)cc(F)c3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359207127 ZSSMNUOFSQECNM-XMMPIXPASA-N 446.542 4.516 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ncc(CC)s1 1359234793 AVIKYAFMGZEHEH-UHFFFAOYSA-N 436.354 4.536 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCCC)c(OC)c1 1359245669 YPADKVJGQFEAMJ-DENIHFKCSA-N 442.604 4.665 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1C[C@@H]1CCCn2ccnc21 1359254470 SJJGKFZNFRCDSK-CTNGQTDRSA-N 434.588 4.767 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1359255306 UPBZDIDNGJIBSR-OFNKIYASSA-N 426.605 4.883 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@@](=O)C(C)(C)C 1359267888 VXJFWKXPGSQPBN-WJOKGBTCSA-N 437.613 4.527 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1359268470 RLWXBHKBDLJKHT-ICSRJNTNSA-N 445.405 4.947 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nccs1 1359277852 XSRMQMFWFHHOFM-UHFFFAOYSA-N 439.972 4.855 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(CC)CCOCC2)C1 1359315715 ALJZQTGNLVIHLJ-HXUWFJFHSA-N 430.980 4.587 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CSC2(C)C)nnc1-c1ccc(Cl)cc1Cl 1436012248 LHDLKUKXNOCQFN-CQSZACIVSA-N 443.425 4.540 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H]2COc2ccc(Br)cc2)cc1 1439761438 WQZIGDWENGHEEM-IBGZPJMESA-N 428.326 4.535 30 10 IJEE C#CC[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 1459848764 JHSGAOFIEHECFL-JOCHJYFZSA-N 431.923 4.885 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1460028434 DEUJNXPGJYVSIS-YADARESESA-N 442.515 4.809 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc3ccccc3n2C(C)C)nnc1-c1ccco1 1461628773 MSIBIHPVLBOHAN-UHFFFAOYSA-N 436.541 4.776 30 10 IJEE C#CCN(Cc1ccc(O[C@@H](C)COC)cc1)[C@H]1CCOc2ccc(Br)cc21 1461987023 NRQPHCLOXGHWRJ-JTSKRJEESA-N 444.369 4.822 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(Br)cc1 1463773794 GZOQGLGSGVVHEL-CQSZACIVSA-N 437.117 4.548 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCc1ccc(I)s1 1466315299 IKRCWVICXYYWKE-UHFFFAOYSA-N 426.323 4.836 30 10 IJEE C=CCCC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)C(=O)OC 1471894899 HXRSFGJMPQEUAG-GUMMAJAESA-N 430.504 4.942 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OCC)cc1)C(=O)OC 1472921342 OHUHQTRNMHNEGF-HXUWFJFHSA-N 439.537 4.551 30 10 IJEE N#Cc1cccc(S(=O)(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c1 1475009561 DCFSGKIPOLFTLF-UHFFFAOYSA-N 433.371 4.501 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(C(=O)OC)ccc2OCc2ccccc2)cc1 1476253026 GOXXDKPYRLZIAO-UHFFFAOYSA-N 446.503 4.939 30 10 IJEE CCOC(=O)c1c(NC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c(C#N)cn1CC 1476760276 CENONPIDMHLTCT-HNNXBMFYSA-N 448.445 4.597 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccc(C(F)(F)F)cc1 1478272447 LEZOGXNYBXFWLX-LJQANCHMSA-N 436.453 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1507547734 PTOWXYFLKPXBAQ-FVJLSDCUSA-N 431.005 4.663 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cccs2)CC1 1507558814 LJXFBPBDNMXLQS-UHFFFAOYSA-N 425.989 4.790 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCC)CC1 1507661617 BJCYCAVXQQDABA-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC1CCCC1 1507687716 SCPDYEKAHBUMLU-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1OCCC1(C)C 1507703183 RDPUNCGXUQUERM-OAQYLSRUSA-N 438.572 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1507793171 CIZBBYDMGSQTML-HQRMLTQVSA-N 429.996 4.847 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1507834041 YEJQANIQYQRLIX-JOCHJYFZSA-N 448.615 4.978 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1507838244 NNFKWDGRKMKTSC-QHCPKHFHSA-N 436.556 4.580 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1507853281 DDIPTLJWNPHPKG-KBXCAEBGSA-N 436.387 4.629 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1507898563 YUSHAIBCPPIGHH-HSZRJFAPSA-N 444.583 4.624 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2OCCC2(C)C)CC1 1507899038 ZOCCZIQNSDFXIW-LJQANCHMSA-N 432.515 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507911711 NACZZPNEJMQYOE-SFHVURJKSA-N 429.996 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1507917723 UXSSWZGESRPJJE-HXUWFJFHSA-N 438.620 4.637 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C1CC1)N(C)C 1508015466 XJAAGIQBYPZIHF-XLIONFOSSA-N 425.646 4.650 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1508127283 UQCKQDPBDRUUMC-IEBWSBKVSA-N 436.934 4.739 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H]1CCSC1 1508152812 RLCWFNLJQXZGNM-QGZVFWFLSA-N 425.627 4.663 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)CC1 1509073734 GVZJBINVMUIBFK-UHFFFAOYSA-N 435.494 4.944 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1512935668 ITSYLEYNWLZHLF-JQFCIGGWSA-N 448.493 4.620 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 1515034705 CJYLUKLIPJNQTF-IBGZPJMESA-N 446.304 4.994 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 1522163094 SJZFMLSZCKBTQP-XLIONFOSSA-N 434.367 4.911 30 10 IJEE CC#CCCCC(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1523435430 DMJUJTULSBGGGQ-XZOQPEGZSA-N 426.601 4.945 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 1523570103 ZOIBMKOBNWTPJD-PXNSSMCTSA-N 440.341 4.767 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1)c1ccc(Br)cc1 1525055245 ZKUQNFKRKJIXTC-QFIPXVFZSA-N 448.316 4.793 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc1OC 1527917426 JBWGGYXKMGZFGM-FNORWQNLSA-N 427.369 4.887 30 10 IJEE C=CCN(C(=O)c1cc(Br)c(C)cc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1529015086 RHTQUCNILMAGMY-NRFANRHFSA-N 444.369 4.869 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(OCC)c(Cl)c1 1536694166 GKHHPYYTRNSUEN-UHFFFAOYSA-N 427.701 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc([C@@H](C)OC)n1 1538984718 OKSNOCXRFTUEKA-DLBZAZTESA-N 437.613 4.913 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1539024565 WSZLXPUBAUOYAT-KRWDZBQOSA-N 447.539 4.763 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1Cc2ccc(Br)cc2C1 1539616643 RSOQSBIOIGBZQD-VQIMIIECSA-N 431.378 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CSCCS1 1539659359 UGOLUNCGNAHWIW-GOSISDBHSA-N 448.658 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1539659885 OTFYGADPZITYHB-UHFFFAOYSA-N 444.370 4.689 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1539898529 VCWIOSZNJRUSQK-HKUYNNGSSA-N 430.980 4.586 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)C(=O)OC(C)(C)C 1540009704 HHQBZVJPFCTHPE-HSZRJFAPSA-N 438.593 4.703 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCOC[C@H](C2CCC2)C1 1540020424 IBRKMVYZIWRAPV-HXUWFJFHSA-N 442.629 4.798 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C)CC1 1540029117 MBWQDUCBNDLKOQ-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1540088464 DUNCCPCLMSLMQA-AJTFRIOCSA-N 449.595 4.870 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC1(C)C 1540169056 YSSQQDPJYBDMSU-RTBURBONSA-N 429.609 4.617 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC1(F)F 1540180853 XBFJYUBONHXPNO-NRFANRHFSA-N 440.542 4.739 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 1540404945 LUYBPHVCYNDWHY-HXUWFJFHSA-N 436.512 4.576 30 10 IJEE C=CCSCCn1c(N2CCC(CCN3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C 1540922144 FMWKQJBNFVLHJM-FQEVSTJZSA-N 433.710 4.976 30 10 IJEE C=CCC1(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1 1543765920 AWJHPXFTSFPEFC-UHFFFAOYSA-N 437.550 4.860 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CCOC)CCCC1 1545740652 BMHFNCUKGZPSNB-OFVILXPXSA-N 439.579 4.859 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C#N)cc1)N(C)C 1545807312 GCJWOFLHGUTELP-QFIPXVFZSA-N 434.588 4.721 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccccc1 1558718585 LFKPTQKIRBUSPB-UKPGIYTDSA-N 440.565 4.761 30 10 IJEE C=CCCC1(CNC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CCCC1 1562067923 FLRJKEQYXHZQQV-UHFFFAOYSA-N 446.617 4.586 30 10 IJEE C[C@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1564547014 DRZNLCFKNADIGX-NTKDMRAZSA-N 430.552 4.627 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 1565727714 LMHJZRHQXKTCSV-UHFFFAOYSA-N 442.581 4.705 30 10 IJEE C=CC[C@]1(C(=O)NCCc2csc(-c3ccccc3)n2)CCCN1C(=O)OC(C)(C)C 1566380247 KPRKDUBMAZFSRL-XMMPIXPASA-N 441.597 4.815 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 1585090047 NHGYZVGJGJTNQQ-UHFFFAOYSA-N 446.572 4.979 30 10 IJEE C=CC[C@@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(Cl)c(Cl)c1 1585918902 HIVKIWKAWJRCRL-GOSISDBHSA-N 433.251 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1CCC 1587593944 QGONEPHKCCDXKT-FUHWJXTLSA-N 434.415 4.974 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)/C=C/c2cc3ccccc3nc2OCCC)cc1 1587965280 ZLKSLJWSTHJQKL-NTEUORMPSA-N 430.508 4.983 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCOC)CC(C)C 1589505789 OKRMOXNZOCWXOE-PZJWPPBQSA-N 432.996 4.689 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](C)O[C@@H](COC)C1 1589715967 YNMYLYXZSWPJGT-LSDHHAIUSA-N 432.977 4.629 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCNC(=O)OC(C)(C)C)CC1 1594070640 JKGJUBNBKZZZAT-UHFFFAOYSA-N 448.571 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCOC(C)(C)C 1594484028 MFPSYPOBWATZOP-UHFFFAOYSA-N 436.604 4.984 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1594709522 XUESQRIMBFBGOV-APWZRJJASA-N 445.995 4.914 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@]2(CC=CCC2)C1 1594824268 DWQPNRPDDPYHCB-HSZRJFAPSA-N 427.618 4.553 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1ncc(CC)s1 1594906113 CPHXAELPOZKIIL-UHFFFAOYSA-N 446.418 4.900 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1595085498 WNVCUKJIXOBOJO-OAQYLSRUSA-N 437.632 4.552 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1CCc1csc(-c2ccccc2)n1 1595212730 SCNOSBNRTLLTGS-FQEVSTJZSA-N 435.597 4.717 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(C)C)C1 1595489899 JYYFIHNWLAHJHW-OAHLLOKOSA-N 444.004 4.598 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1595507156 XXFFNQKKAAWJHI-HZPDHXFCSA-N 448.398 4.571 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 1596854081 MEDIERYJFMCEKF-XLIONFOSSA-N 438.996 4.947 30 10 IJEE C#C[C@@H](NC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccc(Cl)cc1F 1597001195 ALLQIXYCQAYDQU-LJQANCHMSA-N 434.939 4.697 30 10 IJEE CC#CC[C@H](CO)NC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(OCC)cc1 1622766052 PZYMIZZADKRWCJ-MRXNPFEDSA-N 436.430 4.792 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCc2cccc(NC(C)=O)c2C1 1625542455 KPXJMXGFXFKZOO-UHFFFAOYSA-N 444.329 4.563 30 10 IJEE C=CCCCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1627339145 QTZZBIPCIPNFGE-UHFFFAOYSA-N 432.973 4.520 30 10 IJEE C#CCC1(NC(=O)N[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CCCCC1 1633579192 ICLROSSDQXJNJZ-PZJWPPBQSA-N 433.955 4.555 30 10 IJEE C=CCC1(NC(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CCCCC1 1638116595 XJBQXWZSIBWVOL-NRFANRHFSA-N 427.589 4.927 30 10 IJEE C=CCn1c(S[C@@H](CC(C)C)C(=O)OCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640556171 MMPGVZKVFZOADH-PBHICJAKSA-N 434.627 4.839 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2Br)c1C 1641581963 CCEQQMLOWNUNHN-FQEVSTJZSA-N 429.358 4.997 30 10 IJEE C=CCC[C@@H](NCC(=O)N(C)CC(=O)Nc1ccc(C)cc1)c1ccc(C(F)(F)F)cc1 1642443860 MMRLMYLVKSMSEH-OAQYLSRUSA-N 447.501 4.708 30 10 IJEE C#CC1(NC(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)CCCC1 1643516772 RQMHHIZUBMYANO-UHFFFAOYSA-N 438.593 4.769 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1644905229 GGDDVZYZWGAOLC-ZBFHGGJFSA-N 428.989 4.754 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1651179510 PXSHIKUAOLUHJO-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1cc(=O)oc2c(C)c(O)ccc12 1652423842 KWEIDTWCTLAAQZ-UHFFFAOYSA-N 432.289 4.897 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 1662906122 DRLUIGYGHRGILS-KRWDZBQOSA-N 433.821 4.948 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 1668963510 PKSZSNYUFHONHZ-LAUBAEHRSA-N 439.353 4.648 30 10 IJEE C[C@@H](C#N)CNC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1671539573 GLPJCTBSTSJNFL-UGSOOPFHSA-N 437.396 4.613 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1)c1ccccc1 1672547529 CBKCPOWRDVSGGC-SFTDATJTSA-N 440.385 4.708 30 10 IJEE CC1(C)CN([C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)CCO1 1672793404 BYJXALCDNHQEHS-HXUWFJFHSA-N 447.366 4.839 30 10 IJEE CC(=O)c1ccc(Br)c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 1673979690 CDPWZUHZQRGQMM-UHFFFAOYSA-N 442.313 4.599 30 10 IJEE COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1C#N 1674297869 BXURHFVOBMCAFW-QHCPKHFHSA-N 449.532 4.825 30 10 IJEE CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1676977417 DQZJSWPDKWQAMZ-MRXNPFEDSA-N 441.450 4.965 30 10 IJEE C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 1679702287 CGCANKGXSVEDTD-UZUQRXQVSA-N 448.567 4.889 30 10 IJEE C#CC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 1680515638 RLHDCAYSNGSIKX-RTBURBONSA-N 430.335 4.553 30 10 IJEE C=CCSCCNC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1681506742 SXOKPLIIVQFDEF-FQEVSTJZSA-N 447.695 4.788 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 1685375223 AMOQDCGUZUPLHB-FGZHOGPDSA-N 432.612 4.882 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1686425406 BHIIJQCIUAMJHS-HXUWFJFHSA-N 448.350 4.871 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CCN(CCC)CC1 1689835121 GOGJKGXBYICKNT-RBUKOAKNSA-N 439.673 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCSC1(C)C 1690035768 JFRGDLMFFAWQGY-GOSISDBHSA-N 444.551 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC)CCc1cccs1 1690244075 SPTFZIFJSHGVFJ-NQIIRXRSSA-N 425.602 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1cccc(Cl)c1 1690247873 HLNRCUKHHQLPNT-GCJKJVERSA-N 432.996 4.626 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1690291692 PFPWVZWOPCRISK-FQEVSTJZSA-N 439.585 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCN1C1CC1 1690588549 ZTJAWVOYOYDEBT-HXUWFJFHSA-N 442.007 4.802 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](OCC(C)C)C1 1690682318 LLLRCIKSBJLKDV-JOCHJYFZSA-N 447.583 4.513 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C2CC2)cs1 1690992963 CGODUSNAUGXASL-LSDHHAIUSA-N 440.548 4.535 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705522993 PWKLYZHMILDXGA-XRXFAXGQSA-N 430.637 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCC[C@@H]1CC 1705593383 PKGBUIHDARVOKB-UNMCSNQZSA-N 434.584 4.642 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](c1cccnc1)C(C)C 1705603978 BVMBKLZYFBJPNC-PZJWPPBQSA-N 435.547 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCSCC=C 1705670663 DXYPRFVYQWSIIN-HXUWFJFHSA-N 449.393 4.758 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N(C)CC1CC(F)(F)C1 1705690071 JOAXQPGPDIZJSQ-UHFFFAOYSA-N 439.348 4.844 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1705732606 FLTCBHIVURLCIB-JOCHJYFZSA-N 434.588 4.501 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(NC(C)=O)c1 1705837070 OWHHSENJIFFIRM-MRXNPFEDSA-N 435.597 4.760 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1ccco1)C1CC1 1705849293 IULDLDKQXABPRQ-UQBPGWFLSA-N 436.556 4.690 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC(C)(C)C(F)(F)F 1705860874 PSMULFHIPDGKAV-GOSISDBHSA-N 433.478 4.782 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCCN1CCCCCC1=O 1705862139 ZOQNIXLDPFVBDH-UHFFFAOYSA-N 435.616 4.921 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1 1705880373 CZTKYVBYOCNMIV-SFHVURJKSA-N 441.576 4.556 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCO[C@@H]2C(C)C)C1 1705915726 LMYFSNRBRXPDEW-MOUTVQLLSA-N 438.616 4.662 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCSC(F)(F)F)C1 1705917083 UGKXXUCMWJBBKF-MSOLQXFVSA-N 440.535 4.854 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1705949415 YICZNVMVDBTEIB-GHTZIAJQSA-N 428.602 4.554 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1)C1CCCC1 1706494632 CFXCRPAERFHDMJ-UHFFFAOYSA-N 444.583 4.771 30 10 IJEE CCc1ccc(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)C[C@@H](C)C#N)s1 1708930423 HDPKXBLQGMLQBW-INIZCTEOSA-N 431.569 4.603 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1c(C)noc1C 1722315349 LHEGIKVETSEGBF-UHFFFAOYSA-N 430.512 4.645 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]1C(C)C 1722327611 RDAKUIAGIAURRI-GOSISDBHSA-N 431.378 4.754 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)cc1 1722389719 LDWBNGYUMHKENM-IBGZPJMESA-N 444.604 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1cccs1 1722390564 DISWEUPBNXISJV-SFHVURJKSA-N 438.984 4.839 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCc2cccnc21 1722391696 SCHXTENCBGGMPT-JWQCQUIFSA-N 437.591 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC(C)(C)SC 1722475123 PSILYZCPJMTHOC-JOCHJYFZSA-N 430.643 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C[C@@H](C)CC 1722492638 GDXNCABRJISSIH-DSKINZAPSA-N 427.549 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC(F)F 1722493009 VQUJUDHKBHJXRE-GUXCAODWSA-N 438.494 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1722494085 LLVMIIZUSCCAOV-KKSFZXQISA-N 446.473 4.881 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(C)(C)OC[C@@H]1C 1722531246 POEHFQXPLMWYDU-MSOLQXFVSA-N 444.645 4.728 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](CC(C)C)N(C)C)CC1 1722573969 FESUABALDHBBGN-PZJWPPBQSA-N 443.611 4.936 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722591000 KDEVBEYFOLGGAI-INIZCTEOSA-N 444.992 4.630 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C1CC(C(C)(C)C)C1 1722658226 BJFNWPZLVUGOKQ-UHFFFAOYSA-N 439.579 4.843 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC(C)C)nc1 1722658675 ZQNUSQIJZRARQD-HSZRJFAPSA-N 447.583 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC1(N(C)C)CCC1 1722666957 SSJIILNSSDLGIM-UHFFFAOYSA-N 448.384 4.509 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2cccc(F)c2)C1 1722718928 VWZCWUOYMBGPSR-HXUWFJFHSA-N 441.938 4.547 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1cccc(C)c1 1722743042 OOFGJMKRRZMRNT-QFIPXVFZSA-N 436.629 4.709 30 10 IJEE CC(C)(Cn1c(Cc2ccccc2F)nnc1N(CCC#N)CC1CC1)c1ccccn1 1723029607 BNBRARKPSCBHTB-UHFFFAOYSA-N 432.547 4.511 30 10 IJEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](C)C2)CCS1 1726512573 DTXWUIFQTSFELQ-SYYKKAFVSA-N 439.629 4.743 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H](OCC)C1CCCC1 1740537815 ZUBGANWFLFPEHS-YADARESESA-N 446.599 4.779 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC1CCC(OC)CC1 1740538181 DMFORSOFQKKUAM-ZRZPHAQCSA-N 445.405 4.761 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1740721553 MHUKAENZDAUPSU-GGAORHGYSA-N 438.641 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C)[C@@H](C)CC 1740724763 ILFIYOHPBHQIKS-UNIVCBNLSA-N 437.632 4.757 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1740744875 HFLCXDCCWWLENX-OAQYLSRUSA-N 433.394 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccco1 1740770597 YCWMAPXZHGTSIK-UHFFFAOYSA-N 431.334 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCSC1 1740777387 XRQZUICNCUXDGB-OALUTQOASA-N 449.665 4.896 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCCCC2)CC1 1740825590 XKMPUHGHFHKVAN-LJQANCHMSA-N 429.996 4.714 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1740839129 BEEHMHBXIDDXDR-RCZVLFRGSA-N 438.616 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1740851493 XTSBIJRFHQMDHO-UHFFFAOYSA-N 442.579 4.732 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1740856043 YGFFJDYJYJIYAM-IFMALSPDSA-N 437.632 4.846 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C)C1 1740882269 GMOPGDKKSLSHJC-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCSC2(CCCCC2)C1 1740883033 GQOAWSLMMWOONU-UHFFFAOYSA-N 442.629 4.803 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1740886730 QOCZMIWWUVKXFD-FXAWDEMLSA-N 444.626 4.551 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740999784 OHJMOOSXYSRXNN-IBGZPJMESA-N 441.626 4.516 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(C)(C)C 1748715040 NAXRSWFDPAMBLQ-UHFFFAOYSA-N 431.625 4.678 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CC(OC(C)(C)C)C1 1748914760 IUZLBOFLEBRPQT-UHFFFAOYSA-N 446.542 4.990 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCSC1(C)C 1748944148 NONIFPJPLKKVGX-HXUWFJFHSA-N 435.572 4.651 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1749028915 IFYMUWWCCIFGKW-UHFFFAOYSA-N 436.581 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 1749125742 XMYZXKXFEFGXEX-DNVCBOLYSA-N 447.352 4.594 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@H](C2CCC2)C1 1749181570 MEBFEUFIKYKGCV-MRXNPFEDSA-N 449.368 4.676 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1749220848 RGOAHBYQJGQNNI-ZEQRLZLVSA-N 447.583 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](COC)OC)CC1 1749330815 ORQRHRUWQVIQEI-MRXNPFEDSA-N 447.004 4.877 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1-n1nc(C)cc1C 1749506670 LRGBFOJXMBJMQY-FYYLOGMGSA-N 448.615 4.670 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccc(CC)cc1)N(C)C)C1CC1 1749516234 VPSRTOZNZYDNGQ-XMMPIXPASA-N 430.600 4.669 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC[C@H]1CCO[C@@H](C)C1 1749537196 BRQNVPCRFUUBSP-VXKWHMMOSA-N 431.584 4.662 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](N2CCCC2)C1 1749606428 XGJGAGOVFJHKPY-FPOVZHCZSA-N 444.023 4.939 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1749745655 CRLPFBSYBGBJFQ-QUCCMNQESA-N 427.574 4.932 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1749746571 HUJLUSBFDMNPBK-LPHOPBHVSA-N 430.599 4.794 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCOCCC(C)C 1760103312 CMGOZGJAIWXWEF-QGZVFWFLSA-N 433.394 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1760124301 RFMAASOLCULAKY-BBWFWOEESA-N 436.478 4.617 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1csc(CC)n1 1760225772 YDSBPZHPKYHPLT-LJQANCHMSA-N 437.613 4.756 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760276620 KAKYZOOMROJOGF-FUHWJXTLSA-N 433.021 4.988 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1760291567 UNCIVCQZXVPYEX-GBXCKJPGSA-N 426.008 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCSC(C)(C)C1 1760318412 NYCIQWCFLBSDMW-NHCUHLMSSA-N 426.630 4.821 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1760361316 WCPALPBNWMVFMV-KZNAEPCWSA-N 444.542 4.568 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(OCc2ccccc2)CC1 1760377465 CIARYHYDNGRRSZ-UHFFFAOYSA-N 428.989 4.869 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCCS2)CC1 1760382274 MZJJBNYLURGYDL-RXVVDRJESA-N 428.602 4.869 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](SC)C(C)(C)C)CC1 1760384628 AWUOVSBBXBNPTO-FQEVSTJZSA-N 430.618 4.896 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760429004 NQZCQRYSEADAKG-HKUYNNGSSA-N 445.633 4.636 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)c(F)c1 1760432291 KKAJKOFRZQEFPT-UHFFFAOYSA-N 436.304 4.917 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)c1nccs1 1760482985 YYEUVQDDVOXMMW-SFHVURJKSA-N 447.612 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1CC1=CCCOC1 1760488300 RDPFBLLIMJXWSF-UHFFFAOYSA-N 440.544 4.597 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(c3ccccn3)CCC2)c1 1761661737 ASLZKNUAYBDTJZ-NRFANRHFSA-N 444.583 4.729 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@@H](C)CC#N)cs1 1769550089 DJNFUXKNYHFDCU-QWHCGFSZSA-N 448.955 4.688 30 10 IJEE C/C(=N\O)c1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 1860471530 YMLBJXWVRWPPGD-WLXKGNRNSA-N 433.464 4.794 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4ccnc(Cl)c4)cc3)CC2)c1 1860707132 YRNRBCYIOVTJHQ-UHFFFAOYSA-N 445.906 4.846 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)c1 1862414332 XPOCNHCUSPTJFK-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862445105 OLAUPBVHABVWKI-HXUWFJFHSA-N 427.884 4.662 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc(Br)c2)ccc1F 1862510166 XYLNZWQIHQOXJG-GOSISDBHSA-N 432.289 4.883 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1Cc1ccccc1 1862604451 DPTJLAHYFAHYBB-XMMPIXPASA-N 441.483 4.545 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CCCC2)c1 1862640454 OSPVOWZXWSHEOQ-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862726259 BLSYHMUFJNVBLI-QFIPXVFZSA-N 427.456 4.650 30 10 IJEE CN(C)c1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863136408 MWLJIUBIHODOJR-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1 1863179826 IAMKECGBYBQPRL-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2Cl)=C(c2ccc(C)cc2)C1=O 1863274204 NDTWEQIWZXBCCV-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C=CCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633641 XDQBMNDNDRZXNC-UHFFFAOYSA-N 440.330 4.573 30 10 IJEE CCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(CCCCC)C1=O 1863714546 ZJQBUDMUCJYGBZ-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE CC[C@](C)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867352464 PZJXZKALCINHBQ-IGKIAQTJSA-N 425.532 4.942 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2-c2ccc(C)cc2)c2ccccc2)cc1 1870142337 MPUJJPTZJKZGEF-KQWNVCNZSA-N 435.487 4.635 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC)cn1C[C@@H](O)c1ccc(Cl)cc1 1870665987 SBHWMJHAHKNCAF-HSZRJFAPSA-N 430.976 4.588 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871195164 BHRAZPSMEWPYIA-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE N#Cc1ccc(COc2cn(CCCCCCO)c(CNc3cccc(F)c3)cc2=O)cc1 1871254908 KUSDNMYJCZCQSA-UHFFFAOYSA-N 449.526 4.603 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)C[C@@H](C)O1 1871395276 MPOJKFAOYIUJMO-KGPIEMBISA-N 434.319 4.924 30 10 IJEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871431332 OZJSXDQLBSFVMA-CFRMEGHHSA-N 443.455 4.748 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871758934 JGBXRLNQPSTTCY-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871974160 ISDPIEXRCHYJFN-HSZRJFAPSA-N 438.524 4.773 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)CCCC 1872013378 VJMBDOLFOQHLQX-FQEVSTJZSA-N 440.675 4.662 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCCC 1872171789 JQUKMFFGCDSAPO-JOCHJYFZSA-N 438.634 4.837 30 10 IJEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)cc1 1872770108 JZENTZQOTCLQKH-NRFANRHFSA-N 433.533 4.976 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2cccc(Br)c2)C1=O 1873228742 ZPLREJLBNQLOPW-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)C(C)C)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330617 MEAZCFFUSVRQLA-UHFFFAOYSA-N 431.536 4.584 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCCCCCO)ncnc21 1873629836 WTOODQMJKPZBLZ-UHFFFAOYSA-N 435.572 4.742 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 1873892143 UIUWDSZRVCQAFW-KRWDZBQOSA-N 426.586 4.682 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874342793 JICJJYUBTXLXBJ-OEAKJJBVSA-N 428.945 4.787 30 10 IJEE CCCOc1ccccc1/C=N/n1c(Cc2ccc(Cl)cc2)nnc1SCCCO 1874343411 PXKVPHFWUSBUBK-LFVJCYFKSA-N 444.988 4.668 30 10 IJEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874345485 RAWRFIRICMNKON-YDZHTSKRSA-N 428.945 4.809 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c(O)c1 1874451902 UMDVNUWACQDMQF-TXRNYMQSSA-N 448.907 4.508 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2O)c1 1874452636 GBWCQIAUFXBZJT-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874471431 UKMCZIZURLLNMS-MFKUBSTISA-N 436.581 4.905 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1 1874473629 OGTAPPUEEBQKPY-PCLIKHOPSA-N 432.549 4.803 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)c1 1874483301 OPHDKTXGKWMAEG-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(F)cc1)c1ccccc1 1874485637 GJFZPEFPBTXCIM-FRQJIFLKSA-N 439.560 4.566 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874490327 KYMPWXJCILPHAL-YDZHTSKRSA-N 434.009 4.553 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1C 1874597268 CQIJQFVISJBKJG-JXMROGBWSA-N 429.472 4.946 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccc(F)cc1 1874693218 TWNQGHVYXRCZSB-YRNVUSSQSA-N 435.407 4.787 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c1 1874706294 ZCGVTDDIZAWEQW-SOFGYWHQSA-N 446.455 4.590 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 1875136005 SEEDGYSEAKJXFU-UKTHLTGXSA-N 447.443 4.792 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCCOC)c(Cl)c2)cc1 1875137444 MTLGXPIGQBVAJW-ONNFQVAWSA-N 432.900 4.593 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc2c(c1)OCCO2 1875146948 MOFLPSRNRZTVIU-YCRREMRBSA-N 440.373 4.990 30 10 IJEE COCC(C)(C)N(Cc1ccccc1)Cc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 1915626177 ZCBKDXHMGBODNI-UHFFFAOYSA-N 427.369 4.552 30 10 IJEE C=C(COCCC)[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479292 KWYVQRGAZLFBHR-DHIUTWEWSA-N 434.621 4.838 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1962793937 JCMNGTXBKFAENV-UHFFFAOYSA-N 435.362 4.517 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C1(COc2ncnc(Cl)c2C#N)CCC1 1986473666 ICZCYZOQAYGJQN-UHFFFAOYSA-N 428.920 4.740 30 10 IJEE N#Cc1ccc(NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)cc1Br 2026166584 KTCOAPXHUOIWGZ-MOMVYJMYSA-N 426.314 4.580 30 10 IJEE CCC(CC)N1CC(=Cc2ccc(C(=O)O)cc2)C(=O)C(=Cc2ccc(C(=O)O)cc2)C1 2041190048 DWLYMSCBAXNXNK-UHFFFAOYSA-N 433.504 4.623 30 10 IJEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)C=Cc3cccc(OCCCC#N)c3)c2)cc1 2042455326 XLTATGCKZLRYDK-UHFFFAOYSA-N 434.517 4.612 30 10 IJEE COC(=O)c1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079196748 YNOSPJINNLQNEM-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(I)c1C#N 2079873975 XEJATAKPMLMGCH-AWEZNQCLSA-N 449.189 4.825 30 10 IJEE CC[C@H](c1ccc(OC)c(F)c1)n1nc(C(C)(C)C)c(C#N)c1I 2080118189 PVJCIPQUUIAVJS-CQSZACIVSA-N 441.288 4.804 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNc1cc(Br)c(C#N)cc1F 2106092403 ZQYHGGFQXYKBHF-OLZOCXBDSA-N 426.330 4.765 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3cccc(Br)c3Cl)C2)OC1(C)C 2132688927 JDGKRNGPXOUSKQ-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(c2cc(Br)cc(C#N)c2)C1 2174814366 HFOJKIQWTRVDIZ-LPHOPBHVSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 2184352933 FEFVJZDWCBYKEE-MRXNPFEDSA-N 436.350 4.950 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)Nc1ccc(C#N)c(Br)c1)C1CCC1 2186785359 YRXYMCHLBZYYGU-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE C=CCC1([C@H](NCC)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2201020145 MHGHLQGWPIQHEF-GOSISDBHSA-N 439.394 4.922 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](N)C#Cc1cccc(Cl)c1 2212467275 VBXMOXJDUKBLSL-VXKWHMMOSA-N 428.960 4.519 30 10 IJEE C[C@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C)[C@H](C)N1Cc1ccccc1 2219965797 WHILCKMYNHRHSV-ZCNNSNEGSA-N 440.462 4.531 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(C)c(C)c1Br 2221899416 JTWBKHZYPWQADW-ZDUSSCGKSA-N 431.396 4.603 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2235717778 BPWDAFQQHUMKHP-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2235745733 FDDJNXGULQVELG-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267002835 GPMGJZMMMUIBHH-IBGZPJMESA-N 436.405 4.809 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)ccc1F 2267819641 DMKKSHFIZLIQNI-UHFFFAOYSA-N 443.328 4.798 30 10 IJEE CN(CCCOCc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2269896736 XBZBJIGIKSJJJF-UHFFFAOYSA-N 432.373 4.577 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@]2(C)CCOCc2ccccc2)c1 2282680965 BPYVLLOINXSNPU-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE CCN1C(=C(O)c2ccccc2)C(=Nc2ccc(OC)cc2)c2ccccc2S1(=O)=O 2295998937 MLIRAEKQPDBIQI-UHFFFAOYSA-N 434.517 4.767 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1Cl 2296088791 PWWSPIRJHVYJMB-QFIPXVFZSA-N 448.906 4.756 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)C#Cc1cccc(Br)c1 2296232588 OVDHRLHNSRENLC-UHFFFAOYSA-N 428.326 4.751 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@@H](N)C#Cc1cccc(Br)c1)C1CCCC1 2296271249 DUNRJQHDTNSUCM-ICSRJNTNSA-N 435.406 4.849 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 2296287054 RYAYPRHBNNELBJ-JXFKEZNVSA-N 435.406 4.672 30 10 IJEE COC(=O)C=C1SC(=Nc2ccc(F)cc2)N(CC23CC4CC(CC(C4)C2)C3)C1=O 2297555753 LSJAROGZFWCOLX-UHFFFAOYSA-N 428.529 4.662 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc3c2[C@H](c2ccccc2OC)CC(=O)O3)C1=O 2297591384 DKHCANVZRIYOQP-SFHVURJKSA-N 428.440 4.761 30 10 IJEE C[C@H](Oc1cccc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)c1)C(=O)O 2314932641 XZPLEDSWBCMPOI-JTQLQIEISA-N 437.304 4.737 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CC2)cc1OC 2320855467 FHBQWFSCRNAKNH-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE CCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cc(OC)c(OC)cc1OC)C2=O 2323744350 VKCSZOAATAKRTL-UHFFFAOYSA-N 426.465 4.733 30 10 IJEE COC(=O)c1sc(NN=Cc2ccc(O)c(Br)c2)nc1-c1ccccc1 2323865049 AOHWMIHPDLOCQT-UHFFFAOYSA-N 432.299 4.511 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc(OC(C)=O)c3)c2C)C1=O 2323900463 QZLOTACKAYOKQV-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cn(C)c2ccccc12 2326251992 BIYTYLJBKXZLCF-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc[nH]1 2328745021 BVVGOLWVJOXJLT-UHFFFAOYSA-N 435.528 4.931 30 10 IJEE CCc1ccc(C(C)=CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)cc1 2329524261 NVYQVKXBDCOIOS-AREMUKBSSA-N 437.543 4.890 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1F)Nc1ccccc1 2330455855 ZUFQRRYVVYKDJN-UHFFFAOYSA-N 445.523 4.621 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 2330959159 ONYQXSTWKXAJGF-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)c1 2331485149 VWKSMNBSJAAKOS-UHFFFAOYSA-N 449.580 4.789 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339577471 SWSBLJBCYAMDCL-IBGZPJMESA-N 444.381 4.895 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2342476099 WENNMVQBBAHATB-LPHOPBHVSA-N 444.381 4.581 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CCN(Cc3ccccc3)CC23CCC3)n1 2362152538 GEZJKJYAGMBZMP-HSZRJFAPSA-N 447.432 4.546 30 10 IJEE CC#CCN(C[C@H](NCCC)c1cc(Br)ccc1OC)C(=O)OC(C)(C)C 2364630430 JPLSTLWYRPHXKA-SFHVURJKSA-N 439.394 4.759 30 10 IJEE C#CCCCC[C@@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366661806 WZMMLETVNIUROG-OCCSQVGLSA-N 425.763 4.601 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)CC(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369725077 QPXSTPLDAPMHIP-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cccc(OC)c2)c(C)n1 32972816 RVLCJTZLYBGGPI-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE CCOC(=O)c1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1 32984164 SMPWCWPBQYMDTF-UHFFFAOYSA-N 447.512 4.821 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3C2=O)cc1 41292920 NJAFJFOGLXBXFT-RMORIDSASA-N 432.428 4.548 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 41501941 CWUVJXADSJKYOA-UCQKPKSFSA-N 430.456 4.985 30 10 IJEE O=[N+]([O-])c1ccc(-c2ccc(/C=N/N=C(\O)C(F)(F)C(F)(F)C(F)(F)F)o2)cc1 59147439 SFJVHKZZBIJMEC-HCGXMYGOSA-N 427.232 4.978 30 10 IJEE Cc1c(C(=O)Nc2c(Cl)cccc2Cl)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101110066 VZVGKGBWBMDTIQ-MSXFZWOLSA-N 439.368 4.657 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N/c1cccc(C(=O)O)c1 101132845 CAZLKYAQWDKEJY-UYOSYTDPSA-N 433.283 4.530 30 10 IJEE CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N/c1cccc(C(F)(F)F)c1 101662082 IMVSNNDSELEXSA-WZTHKDHVSA-N 441.862 4.949 30 10 IJEE COc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1cccc(Cl)c1 169936622 GJSJHLLMTHLSNF-OAQYLSRUSA-N 430.957 4.652 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2OC)c(C)c1 169942544 HWYHJLIDRJXMPS-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)c1 170038633 KYKHRJJBLMPCDT-HSZRJFAPSA-N 442.471 4.938 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccn2)c(C)c1 170175670 SAGUGOVIIAOFEQ-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)cc1Cl 170184090 MFRBZOFRCJXZHQ-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccncc2)cc1 170197861 GMRALIZFLFMXDI-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2)cc1 170234653 YKNNPUOXLREHTC-QFIPXVFZSA-N 439.471 4.745 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1cn(C)c2ccccc12 170269293 NIYQQSNSUWODGE-QHCPKHFHSA-N 432.520 4.874 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccco2)cc1C 170280160 NQYQOWRARDWWEA-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccc(N(Cc2cccs2)C(=O)/C=C\c2ccc(OCC#N)c(OC)c2)cc1 212999385 JRRQTROSKFNBJY-SDQBBNPISA-N 434.517 4.914 30 10 IJEE N#Cc1ccc(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 426147630 CQWMQRFDIUWCRC-UHFFFAOYSA-N 436.865 4.970 30 10 IJEE C[C@H]1CCc2nc(NC(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)sc2C1 435009592 SPSDLHLJTJXOTN-AWEZNQCLSA-N 432.505 4.509 30 10 IJEE CCCc1c(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cnn1-c1cccc(C#N)c1 439679783 IEWFWHCPIBJMMO-SFHVURJKSA-N 428.540 4.569 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 442212584 GZSJREVHZVMGSM-UHFFFAOYSA-N 429.402 4.767 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 442288374 XFPDWNQBCJOKNI-HXUWFJFHSA-N 437.506 4.757 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)nnc1-c1ccco1 482520136 QPXPABTVNWFFAI-DLBZAZTESA-N 426.542 4.799 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2c(Br)cccc21 524403702 IDOYZTPJCKRLBG-LJQANCHMSA-N 430.302 4.742 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)c(OC)c2)c1 526488491 JSDVDIOVELZXEG-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1ccc([C@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516066 MPKAQQRUHBSWAM-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OC)c2OC)cc1 526603660 GOTJOLMTIFTQKA-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 549272194 ALIXZRBALBYMGJ-UHFFFAOYSA-N 445.523 4.837 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@]2(CCCOC2)C1 558991115 JASKZIKFWCAJKO-NRFANRHFSA-N 449.368 4.820 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 564549250 JOZQNVIWVFMYMD-HNNXBMFYSA-N 445.313 4.781 30 10 IJEE Cc1ccnc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586299151 UFZHQBSKZXCFRZ-UHFFFAOYSA-N 433.533 4.595 30 10 IJEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2Cl)c(F)c1 619062201 XDDLSLUQBZPBIT-UHFFFAOYSA-N 442.277 4.926 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1=S 749678887 ZGMRHRRLNYYVCL-RBUKOAKNSA-N 447.649 4.546 30 10 IJEE N#Cc1ccsc1N1CC[C@@H](OC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1=O 764056152 LLYGKNKTAIJQPL-KQGZCTBQSA-N 440.830 4.568 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)/C=C\c1ccccc1Br 796123286 VJZBAQXURUARSF-KTKRTIGZSA-N 438.391 4.605 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 802551419 UJVRITSOVHPFLC-HNAYVOBHSA-N 427.911 4.675 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1CC1CCCCC1 809921776 OYWXMVXGXSBVQA-JOCHJYFZSA-N 437.588 4.830 30 10 IJEE COc1ccc([N+](=O)[O-])cc1N=Cc1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 1084045663 PSIGDFYPDKDJKG-UHFFFAOYSA-N 436.420 4.640 30 10 IJEE CN(c1ccccc1)c1ccc(C=NN=C2C(=O)Nc3ccc(Br)cc32)cc1 1084457724 WKZKQRCMYUQJEK-UHFFFAOYSA-N 433.309 4.992 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](F)CC2CCCCC2)c(C(=O)OCC)c1C 1124820206 CLHYANQNQOQODI-OAHLLOKOSA-N 425.522 4.823 30 10 IJEE CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 1125021299 HMHDKGBIQUTAHB-UHFFFAOYSA-N 435.430 4.826 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)cc1 1126534602 XZEKAPBHFZSGIQ-UHFFFAOYSA-N 446.532 4.817 30 10 IJEE C#C[C@@H](NC(=O)c1c(F)ccc(Br)c1C)c1ccc(Br)cc1 1129611285 WZQDTBPYKRJHIC-OAHLLOKOSA-N 425.095 4.763 30 10 IJEE C=CC[C@@H](C(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1131832851 PBJTYVIZJWHUFN-XZOQPEGZSA-N 442.600 4.611 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 1133172822 FVZFZKUBCAAUCA-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 1136048024 PEGQVEYYKWTSRJ-UHFFFAOYSA-N 440.590 4.994 30 10 IJEE C=C(C)CONC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1144640048 JFHQLZCNXAUDKD-UHFFFAOYSA-N 435.471 4.819 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(S)nc3c2)cc1 1158767790 SEWMDWWEOJZBCQ-UHFFFAOYSA-N 425.513 4.525 30 10 IJEE CCC[C@H]1CN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CCN1Cc1ccccc1 1168434958 AXASGUMSAKMWAK-SANMLTNESA-N 432.612 4.537 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cc(C)n(-c2ccc(F)cc2F)n1 1202667547 RJRXKTUJEXUXBB-UHFFFAOYSA-N 432.268 4.846 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCCOC)c(Br)c1 1210154567 ZERLHTFSVPJEGU-UHFFFAOYSA-N 444.329 4.566 30 10 IJEE C=CCN(C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)[C@H](C)COC 1214671585 TWSYYHFNGXYPQG-CYBMUJFWSA-N 425.407 4.606 30 10 IJEE COc1ccc(CN(CCCO)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 1215484217 DPLXJPRYLIRKOY-UHFFFAOYSA-N 449.482 4.915 30 10 IJEE CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)n1 1218287847 DQVFDTYNVBXFDT-QGZVFWFLSA-N 442.541 4.738 30 10 IJEE COc1cc(CNC(=O)Nc2scc(C(C)(C)C)c2C#N)c(Br)cc1O 1218513512 GBPMRFXCLGXWAW-UHFFFAOYSA-N 438.347 4.716 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)c(Cl)c1 1220235490 WNIAHOMAPJPVAF-WOJBJXKFSA-N 425.916 4.634 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)C1 1248676881 SWOLWRMIEHHNLM-GHTZIAJQSA-N 430.017 4.642 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1264434181 BMTRTYSVRPTKOZ-LJQANCHMSA-N 447.457 4.801 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1264591705 ICUFKIHXDWTEOK-DVECYGJZSA-N 429.589 4.714 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1(CC(C)C)CC1 1286423285 INNGMLOGLLMQST-UHFFFAOYSA-N 439.401 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](CCC)C1 1286551602 MPUQKXMFWPGRHG-BLIXFSHQSA-N 448.970 4.724 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(Br)cc2)nnc1C(C)(C)C 1286566531 NGKLAZXVQJEBCC-IEBWSBKVSA-N 447.421 4.956 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1286593136 JGTIFVXOOIBBOB-JSXRDJHFSA-N 443.636 4.984 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(CSC)c2)CC1 1286649705 WZKKEOUJRCQUNS-UHFFFAOYSA-N 425.627 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1286673028 OEAXHSPBSUJEJW-UHFFFAOYSA-N 429.490 4.920 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1286679199 LWKJPPGHBRHVHT-YADHBBJMSA-N 438.616 4.926 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 1286705785 FIOSQNZSUFJTEP-RBUKOAKNSA-N 448.995 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCCC[C@H]1C 1286755568 DKDKACVRTLTKOP-OAQYLSRUSA-N 430.600 4.936 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCS1 1299903542 FRIRENFVNDWLRN-HRAATJIYSA-N 431.993 4.633 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccccc1 1300284476 SLZXMGNMAMOXHT-AVRWGWEMSA-N 434.609 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(CC)s1 1300292473 JZAIIYRLOQUCFM-AWEZNQCLSA-N 429.387 4.838 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1coc(-c2cccs2)n1 1300431546 XLUXHJGLTAKXIL-GOSISDBHSA-N 447.564 4.869 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1c(C)sc(C)c1Br 1300554577 FMYHMXIVLYNHFQ-AWEZNQCLSA-N 433.419 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC1(SC)CCC1 1300797552 DWWRNXFCEXJBNB-HXUWFJFHSA-N 445.430 4.985 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1300809215 VKNDWOUNJYTKNP-AREMUKBSSA-N 447.558 4.621 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1300988818 KCQVGZTVNOLDJG-IBGZPJMESA-N 438.494 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCCCC1 1301149613 BXEYWMUANOCLBL-UHFFFAOYSA-N 434.588 4.563 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1301240578 CRYZPZXODYAULE-KXBFYZLASA-N 449.368 4.818 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ccncc1 1301415670 ZMKKITBWYFNKTK-UHFFFAOYSA-N 432.355 4.528 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1301618217 MWSKFRREJRTUEA-VQIMIIECSA-N 429.461 4.950 30 10 IJEE Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 1307283114 FVOQIPCLPJHDJC-OAHLLOKOSA-N 429.826 4.971 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 1310195308 FTRJVVMQIZQJKD-AREMUKBSSA-N 432.568 4.865 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 1310862678 RGKUFKAUWPOJJW-FQEVSTJZSA-N 445.357 4.819 30 10 IJEE C#CCOc1ccc(CNC(=O)NCC(C)(C)Sc2ccc(Br)cc2)cc1 1312096157 YVIMAGBDGLGMLX-UHFFFAOYSA-N 447.398 4.831 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1 1350826209 LTCFVVUVDLNHLY-LJQANCHMSA-N 430.504 4.562 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CC1CC(F)(F)C1)c1ccc2c(c1)OCCO2 1351532800 VKCCHNUBFWKZDT-UHFFFAOYSA-N 429.463 4.991 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1 1353815285 ZRABHBQGJNJNKP-UHFFFAOYSA-N 440.341 4.904 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)c1 1354647745 YMXCHCDIIMEZRX-RUZDIDTESA-N 446.934 4.847 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(OC)ccc2OC(F)(F)F)cc1 1357632544 XLMFSRGLASKGTQ-UHFFFAOYSA-N 434.414 4.660 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C1CCCC1 1358899534 PDBSQZYDFLOXRP-KRWDZBQOSA-N 432.037 4.556 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cc(Cl)ccn1 1358915630 KPZLZYHVZYFORB-UHFFFAOYSA-N 432.959 4.769 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1358931366 YODKGQBMDRGGQA-UHFFFAOYSA-N 436.991 4.536 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCc1nc(C)c(C)s1 1359014477 KNFSBOJEQWIYAI-UHFFFAOYSA-N 425.627 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359102219 YMWIXMWHUBGHNQ-HNAWSFBYSA-N 436.572 4.639 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cccnn2)CC1 1359183428 KZKOREGJWLCHJN-QFIPXVFZSA-N 445.615 4.539 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1359184734 YEMMSYAIZLHOAN-ROUUACIJSA-N 430.618 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1359187426 NACHMFXIDMYJHN-UHFFFAOYSA-N 445.970 4.513 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccccc1F 1359202160 LEEAQPKQHOTKKE-INIZCTEOSA-N 425.508 4.699 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)c2cccs2)CC1 1359218347 GLMNEGCDQPTANP-UHFFFAOYSA-N 441.626 4.761 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1CC1CCOCC1 1359265130 ZBEYOQJHEMDBCY-UHFFFAOYSA-N 442.560 4.677 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1359339976 XCVISADOPLIIKD-MSOLQXFVSA-N 446.642 4.703 30 10 IJEE C#CCN(C(=O)C/C=C/c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1360310603 IZMNFKJQLYNLTL-YADGQWAMSA-N 428.301 4.977 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1c(-c2cccc(Br)c2)noc1C 1360572157 VKYDRYZIHNLQMI-UHFFFAOYSA-N 427.298 4.907 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccccc2CCSC)nnc1-c1ccco1 1438252037 DDHJTGZMYPNQLI-UHFFFAOYSA-N 428.583 4.751 30 10 IJEE O=C(NCc1ccc2oc(O)nc2c1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1439114234 BWZTYQKTIRAYDC-UHFFFAOYSA-N 436.283 4.753 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(CC)(CC)C2)c1 1450195020 RAHHNOKJTKELPG-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 1451174657 GTFHAXGNGIUXHY-MRXNPFEDSA-N 431.113 4.993 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1OC 1458212895 YCJASCXQMWTGFZ-WSCHBXBGSA-N 427.369 4.971 30 10 IJEE COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)cc1C#N 1462310449 BCVSCWVSPTWXGW-UHFFFAOYSA-N 434.805 4.736 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCc3c(C)nn(Cc4ccc(C)cc4)c3C)cc2n1 1462995762 UBCFOGILYHGZSI-UHFFFAOYSA-N 427.552 4.964 30 10 IJEE C#CCN(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C1CSC1 1465618638 JBRQSIAEEDUNIL-UHFFFAOYSA-N 425.407 4.614 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(COC)CCCCC1 1470364506 WPWSGJJSGKCUKP-UHFFFAOYSA-N 427.358 4.883 30 10 IJEE CCCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1475954428 DODXLXQPEJGDLL-OAQYLSRUSA-N 444.491 4.829 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCc3ccccc3N3CCCCC3)n2)c(Cl)c1 1476319052 BAHUMMSTDCNTKJ-UHFFFAOYSA-N 434.931 4.709 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 1478563152 DMTYIRBNTJCADB-GOSISDBHSA-N 434.367 4.979 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H](OCC)C(C)C 1507607193 LLOHDQOKHIVMEX-LJQANCHMSA-N 433.394 4.537 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1N(C)CCCC1(C)C 1507682596 RVTGHEFSHVBEGV-JOCHJYFZSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C(C)C)N1CCCC1 1507770887 YTORQZPQELACFK-SHQCIBLASA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1507795809 KELQMFAORQGBCG-QRFRQXIXSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1cccs1 1507804708 MGFVNQZJQVBBJW-AUSIDOKSSA-N 438.597 4.557 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1COCCC 1507986926 JTWNOLNVPSXMAF-FGZHOGPDSA-N 426.605 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1 1508008296 LXYLOUSWMWEDEP-NRFANRHFSA-N 437.588 4.881 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1508153230 IZBOQSBFZDQOST-UHFFFAOYSA-N 425.385 4.772 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1508167820 PYTLNONASVLZPZ-GOSISDBHSA-N 430.618 4.657 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@](C)(O)c2cc(C)oc2C)cc1 1513636816 CWAYXQBDCDWLQZ-SANMLTNESA-N 447.583 4.755 30 10 IJEE COc1cc2c(cc1CNC(=O)c1ccc(Oc3ccc(C#N)cc3C)cc1)O[C@H](C)C2 1519852543 BEUFQIXZLWNZCL-QGZVFWFLSA-N 428.488 4.921 30 10 IJEE Cc1nn(-c2ccccc2)c2nc(C(=O)OCc3cc(Br)cc(C#N)c3)ccc12 1519854208 AETXPBZGUFLGBF-UHFFFAOYSA-N 447.292 4.720 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 1520377501 SKDUQSUUOUBEPG-HXUWFJFHSA-N 448.975 4.965 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)c1 1520813299 ZWWXDXJYAFCUCK-UHFFFAOYSA-N 431.536 4.814 30 10 IJEE Cc1cc(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)nn1-c1cccc(C#N)c1 1522743502 AHKPBULABPZNSJ-HNNXBMFYSA-N 443.334 4.899 30 10 IJEE C=CCN(C(=O)CCc1cccc(C(F)(F)F)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1522961236 VNUVKNJIUNCBIV-NRFANRHFSA-N 433.470 4.827 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](CC)Oc2cccc(F)c2)s1 1524735238 CUMYJBXFXKPVBQ-OAHLLOKOSA-N 428.982 4.952 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCc3c2ccc(F)c3Br)cc1OC 1526248589 GQGIFZHSFMKXBS-CZIMKVFHSA-N 446.316 4.979 30 10 IJEE C#CC[C@]1(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1530926340 CDAPYQGKRSASEZ-AJTFRIOCSA-N 430.548 4.958 30 10 IJEE C=C(C)COc1cccc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)c1 1537048564 IIUSEDWGRNCWQQ-PXLXIMEGSA-N 443.532 4.993 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1539077899 MHQVARWZWYKUSJ-NRFANRHFSA-N 443.636 4.555 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCC[C@H](COC)C1 1539102100 SUGFYLJJQGVQHX-OALUTQOASA-N 426.630 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCc2ccccc21 1539306293 FYPKGPQWCHIORX-NRFANRHFSA-N 429.955 4.577 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC1CCN(CCC)CC1 1539392847 WADBPSTYSKRHFS-UHFFFAOYSA-N 437.607 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCOC1CCCC1 1539538036 AOAFULSWEVRGHK-KBMIEXCESA-N 440.563 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C)CC1 1539620693 MTMFVHBPHKMBJR-GJYPPUQNSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCCOc1ccccc1 1539629766 YHCWZKODQBASAZ-XUZZJYLKSA-N 447.583 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCCOCc2ccccc2)nnc1C(C)(C)C 1539642608 RHKJQNWZVNCSKR-YADHBBJMSA-N 426.605 4.600 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[C@H]2CCCCO2)CC1 1539882669 TUCFPDYHJWGXQH-HXUWFJFHSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1539882796 YBBJKFPILCAOAO-OPVJXMOQSA-N 440.588 4.568 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1539896244 KGSZOPXEVZYSLF-LJQANCHMSA-N 448.514 4.580 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1539897710 JBCZMYIVEMZIRS-QFIPXVFZSA-N 437.632 4.690 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1539903314 WGQNGWXCLGDXTA-QZTJIDSGSA-N 441.624 4.538 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1539917172 CCUFKUCSKQLVIY-HZPDHXFCSA-N 439.560 4.529 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C2CCOCC2)C1 1539991106 FGBKCWJMVXBTGW-SFHVURJKSA-N 445.405 4.927 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1C 1540191247 IIIHAIVNICSTIF-AEFFLSMTSA-N 433.394 4.783 30 10 IJEE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1540215287 HFHOCSMLXBVWEN-JHVJFLLYSA-N 438.911 4.950 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCOC2(CCCCC2)C1 1540919533 DCCJDYYZDAWNJK-UHFFFAOYSA-N 442.629 4.624 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CC(C)C 1542662219 QNDGKBSDFIRXLY-DFBJGRDBSA-N 445.563 4.914 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc1C#N 1562845069 GQVWFCPHMWMOOI-LHSJRXKWSA-N 435.484 4.532 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)Nc3nc(Cl)c(C#N)s3)cccc21 1562924575 GNLMYVVLQWXBIX-UHFFFAOYSA-N 447.948 4.678 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)cc2n1 1563300488 NPSUVGHIGGUAHD-DEOSSOPVSA-N 433.556 4.580 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 1564798415 KEESJOKFLWVFNR-QHCPKHFHSA-N 432.499 4.665 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCO[C@@H](C)C1 1566426770 WSZWDVBWWBXTDO-CEYNDMKZSA-N 448.563 4.544 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2ccc(OC)cc2)cn1)c1ccc(Br)cc1 1584708184 LUYMLUGBWRZSKS-FQEVSTJZSA-N 437.293 4.749 30 10 IJEE C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N1c2ccccc2C[C@@H]1C 1587570374 HSHBIWZPHJGWKE-ROUUACIJSA-N 441.556 4.806 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1587777800 RNWXXJWLONWBHK-NRFANRHFSA-N 441.000 4.965 30 10 IJEE C=CCCC[C@@H](C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1587800220 IDHIPVJHELJHEJ-AREMUKBSSA-N 433.596 4.866 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@](C)(CC)C1 1589027644 PPSWLGZRXKNWPO-HXUWFJFHSA-N 439.412 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)C(C)C 1589164405 SYPOFRGMMXGRNY-RPBOFIJWSA-N 449.624 4.776 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1594600021 GGNXGIYRAZQEIQ-LJQANCHMSA-N 446.555 4.850 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1594635589 WTCAOPFBVLBRCT-NRFANRHFSA-N 444.023 4.620 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1594986120 PSVJIBBVNHWWCJ-PMACEKPBSA-N 434.632 4.729 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(OC)nc1)C1CC1 1595070874 PWMPNTZYULRRJX-UHFFFAOYSA-N 441.988 4.831 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccsc1 1595084174 IEIFXMOGKHGCBK-KOSHJBKYSA-N 435.597 4.825 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1Cc1ccncc1Cl 1595094549 USOMFXBCOGQDSJ-JOCHJYFZSA-N 448.958 4.681 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@](C)(O)C1CCCCC1 1595100349 PWRPECQPDXATFT-SANMLTNESA-N 435.616 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCC[C@@H]1C 1595149892 WYMSHHIIAQIKMW-UUOWRZLLSA-N 438.597 4.759 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@H](N2CCCC2)C1 1595428591 ULEDOMIFAMOJAE-NRFANRHFSA-N 444.023 4.502 30 10 IJEE C=CCn1c(SCC(=O)NCCCCC)nc2cc(-c3ccccc3)sc2c1=O 1613381087 WYZNZVUTGXPNMM-UHFFFAOYSA-N 427.595 4.710 30 10 IJEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)o1 1613864827 CQCQDJBKZZUOOQ-KRWDZBQOSA-N 448.571 4.508 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C#N 1614534727 DUVNSACBEGZLRP-FPOVZHCZSA-N 434.588 4.942 30 10 IJEE C=CCCC(C)(C)CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1622434027 JSLJBVRQDSFOTB-BJKOFHAPSA-N 444.616 4.706 30 10 IJEE C=CCC[C@@H](C(=O)Nc1nccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1)c1ccccc1 1623637958 VPORSNYVRHFXRP-WOJBJXKFSA-N 436.556 4.890 30 10 IJEE C#CC[C@H](NC(=O)N(C[C@@H](O)COc1cccc2ccccc12)C(C)C)c1ccccc1 1633351032 JJELEYMKWOLLMJ-NOZRDPDXSA-N 430.548 4.764 30 10 IJEE C=C[C@@H](CC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)c1ccccc1 1635199085 RXOWOHVQRYGLSO-HRAATJIYSA-N 426.479 4.795 30 10 IJEE Cc1c(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)sc2ccc(C#N)cc12 1638762662 AMUHUNGPMSKRBA-OKZBNKHCSA-N 439.581 4.847 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)CCCC(=O)Nc2c(CC)ccc(Cl)c2CC)c1 1641536257 BRQRRORJWUSTOT-UHFFFAOYSA-N 439.987 4.735 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Cl)cccc1OC(F)F 1642821823 RLWTZFKQNJMOHV-ZDUSSCGKSA-N 439.286 4.594 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)ccc1OC 1651116339 GZSSNRDDBQZTNT-PGRDOPGGSA-N 426.532 4.631 30 10 IJEE COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCCS(=O)(=O)c2ccc(C#N)cc2)c1 1653071060 AOXQFQXMXCNBOF-SANMLTNESA-N 448.588 4.531 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c(Cl)c1 1653073408 YBTKYZNUXDZGLJ-UHFFFAOYSA-N 442.899 4.822 30 10 IJEE Cc1ccc(C)c(OC2CCN(S(=O)(=O)c3sc4ccc(C#N)cc4c3C)CC2)c1 1653779383 BCARLWRNKRCUIZ-UHFFFAOYSA-N 440.590 4.930 30 10 IJEE CCN(Cc1ccccc1Br)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 1654268471 HHTXDTRYYKOYPY-INIZCTEOSA-N 432.337 4.745 30 10 IJEE C#CCN(Cc1c[nH]nc1-c1ccsc1)[C@H]1CCOc2ccc(Br)cc21 1657513790 NAESUVYWSNQUFN-SFHVURJKSA-N 428.355 4.860 30 10 IJEE C#CCN(Cc1cc(Cl)cc2c1OCC2)[C@@H]1CCOc2ccc(Br)cc21 1659177951 STLLLCBRWKOEHJ-LJQANCHMSA-N 432.745 4.996 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CO)c1cccc(Cl)c1Cl 1659506480 HMDOQIAHRSQJAI-CXAGYDPISA-N 438.380 4.507 30 10 IJEE C[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(C(F)(F)F)cc1 1660672296 GTEIPOMNGDTCEE-CYBMUJFWSA-N 431.393 4.827 30 10 IJEE CCC[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1Cc1ccccc1 1661200850 HLVFKSUDHDVTMF-HXUWFJFHSA-N 446.473 4.975 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1665679094 DFQFMETXYPYENA-OAQYLSRUSA-N 427.589 4.818 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 1668095112 DZQDBGSQFBRJSJ-UHFFFAOYSA-N 442.604 4.953 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccnn1Cc1c(OC)cc(OC)cc1OC 1671096927 NOSUUSIGGFDPPH-UHFFFAOYSA-N 442.560 4.557 30 10 IJEE CCC(CC)(CNC(=O)Nc1ccc(Br)c(C#N)n1)N[C@@H](C)c1ccccc1 1672168790 IACWKQRGZOXAOI-HNNXBMFYSA-N 444.377 4.747 30 10 IJEE C=C[C@H]1CCCCN1C(=O)Nc1cc(Br)cc(I)c1C 1673499493 RBVDUUBTAIOCMV-LBPRGKRZSA-N 449.130 4.935 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1Br)C(C)C 1674145382 HTUKJOVZLOVEHA-SFHVURJKSA-N 428.802 4.600 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1685817313 LGHIFPPYSSGNEJ-CRAIPNDOSA-N 425.495 4.659 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1689931699 FTQQWSSIAUJHPU-UHFFFAOYSA-N 445.652 4.754 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@](C)(CC)C1 1690161893 UTBIISWGDOSQJA-DEOSSOPVSA-N 426.630 4.614 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[C@@H]21 1690224655 REIDYZTXBMDSKN-WFASDCNBSA-N 438.167 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCO[C@@H](C)C1 1690271397 NVVIGXRGZJQIGV-RBUKOAKNSA-N 430.618 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690440154 ZQURAVLIUORKPS-UXHICEINSA-N 444.645 4.721 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@H](C)C1)C1CC1 1690554257 ZIMHVYMEFMJKAO-BJLQDIEVSA-N 429.609 4.941 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1Cc1ccc(CC)s1 1690555767 CSCBFEBMTPXNQY-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1ccnc(C(F)(F)F)c1 1690558448 QFLUMCVUNZNAFU-UHFFFAOYSA-N 440.473 4.928 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C/C=C/CC)C1 1690689314 BITNHSODMMQYCF-DKFQHHCZSA-N 431.378 4.764 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC(F)F)C1 1690690202 TUZUINUWZZLHBO-AWEZNQCLSA-N 447.313 4.663 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN(C(C)C)C(C)C)c2ccccc2n1 1692986495 HYSJGBCYZUGLBN-LJQANCHMSA-N 433.604 4.516 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1693247786 FMOQRZGWPPUYNM-GKBBYZSKSA-N 434.632 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCCC1(F)F 1705486000 UTFNLZVGNWJMAR-SJLPKXTDSA-N 432.515 4.636 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS[C@H](C(C)C)C1 1705514469 XSGIHKBJWOMNRS-QFIPXVFZSA-N 434.613 4.512 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1Cl 1705577087 UMUAOZVGOMIWHW-QGZVFWFLSA-N 434.996 4.906 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1OCCCC 1705592654 PUAAROAOBWRGIU-UHFFFAOYSA-N 447.970 4.684 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@H](C(C)C)N(CC=C)CC=C 1705673492 ATUNYTXVWWJNBF-ZEQKJWHPSA-N 435.591 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CSCCS1 1705719624 FLIDJIRUAIIPBN-GOSISDBHSA-N 439.050 4.762 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCSC(F)(F)F)CC1 1705783904 ZMQLNMQGJPNUAI-UHFFFAOYSA-N 426.508 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1705787097 HYDWKEXUEXEDSA-IBGZPJMESA-N 439.604 4.753 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(C)C)CC1 1705795575 MWMAXJIQDWBDPQ-NHCUHLMSSA-N 431.669 4.720 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1705797609 ZBBQZSJFEYCQFR-QPPBQGQZSA-N 431.584 4.953 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705800647 FFTQVPBDBUVBDD-ZFWWWQNUSA-N 429.874 4.506 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nc(C)c(C)s1 1705834387 JQTMUSMGVQGOBX-INIZCTEOSA-N 427.574 4.561 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](F)COC)C1CC1 1705850021 DDRMNRMABYXVHT-ZDUSSCGKSA-N 443.748 4.500 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H]1CCC(F)(F)C1 1705859901 IKRSKEQQCXHEGN-FQEVSTJZSA-N 434.494 4.840 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1c(F)cccc1Cl 1705866548 TXJANLLQEMOTEA-HNNXBMFYSA-N 432.952 4.877 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(OC)CCCCC2)C1 1705918273 GDBMJSZPSJROCC-GOSISDBHSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCO[C@H](C)C1 1705942101 HMMGTRXDCAURJD-QGZVFWFLSA-N 432.659 4.810 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccs1 1706068330 IEBCXSSDYUARMV-ZDUSSCGKSA-N 447.406 4.671 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1707022649 GZRAOAWDWFBIQY-UHFFFAOYSA-N 434.613 4.546 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCc2cccnc21 1722279343 BNSLGQJEEBYHAE-FUHWJXTLSA-N 435.959 4.580 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccc(OC)c1 1722301281 BPCOAIMJBKUEJS-VLCRHTCISA-N 438.616 4.641 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1cc(Cl)c(OCC)c(OC)c1 1722465779 CUSVDTRKUCMHEJ-HSZRJFAPSA-N 430.980 4.677 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@H](c1c(F)cccc1F)N(C)C 1722471554 JCVXSQPCTIAVQF-HYBUGGRVSA-N 427.543 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(CCC)CCC 1722475834 XJSVWGSMPLNGGR-XLGIIRLISA-N 443.680 4.701 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)C/C(C)=C/c1ccccc1 1722483610 QAXPTHPQVHQACX-BAILOTOSSA-N 431.378 4.620 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](COCC)C1 1722548568 KZURAOKVHYPEBZ-HNNXBMFYSA-N 439.785 4.713 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1722576927 RNZMSDNWQPZVMM-KRWDZBQOSA-N 425.964 4.807 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740568358 VUORTLQJOVKEQF-DWLFOUALSA-N 426.536 4.509 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@H]1C 1740603451 STJGQKNQMNDXGQ-LJQANCHMSA-N 425.646 4.609 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CCc1csc(C(C)(C)C)n1 1740678894 KSLNSVCMLNEQDQ-UHFFFAOYSA-N 425.577 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1cccc(NC(=O)C2CCCC2)c1 1740724389 BDYQLTQBEYMBQV-NIYFSFCBSA-N 433.600 4.961 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1c[nH]c2c(CC)cccc12 1740776676 XOROGNZGLGZHGF-UHFFFAOYSA-N 445.615 4.829 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1740825054 IFWHKMWIPPLXEC-NRFANRHFSA-N 440.588 4.564 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740868546 NBARMEGJMFRWDD-WIYYLYMNSA-N 437.519 4.576 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CCC1 1740883784 FYSRDWDDUPVTOF-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCC[C@H]1C 1740923377 KUWSQLPMMYYEFR-NLFFAJNJSA-N 436.625 4.983 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1741005800 RQJOHAANXZFZRJ-SFHVURJKSA-N 425.602 4.520 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1744938228 AIBWPPUDAUYZHT-SFTDATJTSA-N 434.632 4.811 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H]2CC)o1 1745324261 FLOOCTYTMVMJNJ-XLIONFOSSA-N 448.571 4.651 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1748707632 HYTOQVUZLKAYJP-HXUWFJFHSA-N 443.473 4.673 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(c2ccccc2)CC1 1748730440 MPFCJDHHUKWZEQ-DNQXCXABSA-N 449.643 4.717 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC(CN2CCCCCC2)CC1 1748758279 XXZHTPFEZULCLO-UHFFFAOYSA-N 447.671 4.959 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1ccc(OC2CCCC2)nc1 1748918465 GTYKLCNMNZOFKW-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCC(F)(F)F 1749133449 LXUVLXQUZWIHAD-AUUYWEPGSA-N 444.448 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](c3ccccc3Cl)C2)nnc1C(C)(C)C 1749139437 FFQDMXUNCSMDOY-UIFIKXQLSA-N 445.007 4.788 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CCC 1749364110 NIDGLPDJUIZFOF-GOSISDBHSA-N 436.604 4.902 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCc1sc(C)nc1C 1749550976 NOCLOAFEZOYLBO-UHFFFAOYSA-N 436.610 4.910 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C 1749558502 WUHLQDQKPNKULX-RLLQIKCJSA-N 439.570 4.879 30 10 IJEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC1CCCC1 1750641513 COPCTJIRMILPMO-UHFFFAOYSA-N 434.632 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCOC1CCCCC1 1760104079 ROSATKBWDIRYOC-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1760209445 CRDWIGJMMGZSGS-ZJZGAYNASA-N 430.596 4.934 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760284120 GDYCPIZHRKRSGC-RXVVDRJESA-N 426.630 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@H]1C(C)C 1760291283 JDBKGRJIWYNYKJ-QATBIIFWSA-N 442.991 4.660 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1cscc1C 1760298049 UAXWJYSUBSDDOR-JOCHJYFZSA-N 426.973 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760331475 IQXOOLILEIHBDA-LJQANCHMSA-N 427.593 4.851 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760378342 HJAGZJACNVSRGJ-QGZVFWFLSA-N 432.996 4.911 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1760385442 QXFVGFVPPBGSPT-FUHWJXTLSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCN2CC)CC1 1760398124 MHZZCGUPVZPTEZ-HXUWFJFHSA-N 444.421 4.594 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760432449 MDSKLCFFWNHYIZ-KRWDZBQOSA-N 428.577 4.810 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1760448328 ZNELHIUKZVXXRX-UXHICEINSA-N 445.007 4.834 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)CC[C@@H]2C)cc1 1760531381 NOVKSOFIPFIJPD-MSOLQXFVSA-N 437.613 4.872 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H](C)CC#N)cs1 1769550088 DJNFUXKNYHFDCU-OLZOCXBDSA-N 448.955 4.688 30 10 IJEE Cc1nnc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)s1 1772738985 RQIJFSKPFNPSGQ-PMCKANNTSA-N 428.539 4.512 30 10 IJEE COc1ccc(NC(=O)C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 1860728529 PACMLOOREGRTEQ-FMIVXFBMSA-N 447.487 4.512 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(O)c2)c1 1862489435 BPIITYLCPUAAHM-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC(C)C)cc1OC 1862538777 PZNSHZNLTDEIPA-QHCPKHFHSA-N 437.536 4.891 30 10 IJEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(O)c2)cc1 1862589263 HSWFYMPPCDUINB-VOIUYBSRSA-N 443.499 5.000 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Br 1862599499 HSAKPDATJHRSPG-KZULUSFZSA-N 430.298 4.532 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCc2cccs2)cc1 1862626157 WNNZGTDZLRAXSE-QFIPXVFZSA-N 447.512 4.606 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2Cl)cc1F 1862641488 UMAHQHNXWJPBQY-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862663646 BKTPAHSWWJUIPR-LADGPHEKSA-N 449.547 4.966 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)cc1OC 1862681522 BYIYSUCXRYWKRJ-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CC[C@@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867013748 QHBAJDDGCYRXCO-ZEQKJWHPSA-N 433.552 4.764 30 10 IJEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)c1 1870144569 GMEUSGLHZUBDHJ-UHFFFAOYSA-N 425.492 4.707 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870162026 IWXSZYCMAVTEIV-WOJBJXKFSA-N 446.942 4.525 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1CCCN(C)C 1870488320 WYFWUGDOJXIVAR-UHFFFAOYSA-N 445.607 4.706 30 10 IJEE C=CCn1cc(OCCCCCC)c(=O)cc1CN1CCN(c2cccc(Cl)c2)CC1 1870675053 YSHFTBKROOAZSO-UHFFFAOYSA-N 444.019 4.969 30 10 IJEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1871266232 OHNCHEZNKQECHM-UHFFFAOYSA-N 443.588 4.541 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)Nc1ccccc1C(=O)O 1871430134 DYFXVDXSUPHHSP-NHDPSOOVSA-N 449.846 4.672 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)c1OC 1871446651 HJFSYCSRCALMTJ-HAHDFKILSA-N 445.471 4.728 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 1871458475 KIVIJHOQXJZPGG-OYKKKHCWSA-N 429.472 4.891 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1872245008 NAQQDYMJQSMRNN-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872292246 RXNVRFYSASDKKQ-GOSISDBHSA-N 434.989 4.778 30 10 IJEE CCOc1ccc(-c2nc([C@@H](C#N)C(=O)CN3CCc4ccccc4C3)sc2C)cc1 1872800294 QCGCVTRJOIOLDH-QFIPXVFZSA-N 431.561 4.752 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(O)c(OCC)c1 1874324888 XOYVAOYXLSQRSB-ZVHZXABRSA-N 440.569 4.963 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1C 1874332334 FMRGAQNYRPMIBY-VULFUBBASA-N 448.514 4.666 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccn2C)cc1 1874350343 HNIAKTUSRSAJFU-PCLIKHOPSA-N 431.565 4.699 30 10 IJEE OCCCSc1nnc(COCc2ccccc2)n1/N=C/c1cccc2ccccc12 1874354293 BSTGBEMAQRDIQX-PCLIKHOPSA-N 432.549 4.505 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCCCO)nnc2-c2ccccc2Cl)cc1 1874367836 HILIWOFZEBGSQH-HZHRSRAPSA-N 430.961 4.744 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2[C@H]2CCCO2)c1 1874444246 UZYHSJIDCLFUDL-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)cc1 1874461610 WKNYJZMQEALUMH-OPEKNORGSA-N 448.470 4.875 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(C(C)C)cc1 1874463092 SPCDBNWWVPMCBO-NUGSKGIGSA-N 428.480 4.594 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874482423 DBZKEYBAXFFQOM-CIAFOILYSA-N 440.485 4.567 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2c[nH]c3ccccc23)o1 1874495479 NFELCUNNLIJBLR-DHRITJCHSA-N 449.536 4.971 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(CC)cc1 1874508727 RWIICNAWKOAPDW-ZVHZXABRSA-N 432.553 4.616 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1cccc(Cl)c1 1874517960 SWJIQXGWGUFNSU-ZMOGYAJESA-N 439.972 4.984 30 10 IJEE COCCc1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1874559652 FBMBLUCDTOPCDD-SSDVNMTOSA-N 437.352 4.524 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(OC)cc2C(C)(C)C)cc1 1874570910 OFFXEVXWPGZIMG-ZVHZXABRSA-N 440.569 4.733 30 10 IJEE CCCOC(=O)COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC 1874600484 OUZQRICIDJCLMK-SOFGYWHQSA-N 432.900 4.894 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c([N+](=O)[O-])c2)c(C)c1 1874617469 CXAWIIUVFCRXTJ-QPJJXVBHSA-N 437.477 4.582 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)c1OCCO 1874631543 IHHCVRDLJTXZCI-AATRIKPKSA-N 441.307 4.677 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cccc(OC)c3)c2)cc1 1874694911 AMGJKWXHSZUJEM-XNTDXEJSSA-N 432.472 4.974 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 1875113866 BUEIYSRSMNJLHP-SWGQDTFXSA-N 448.387 4.627 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)CCCSC 1875116626 KNENTTBLVDCTKH-IZZDOVSWSA-N 445.493 4.557 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 1875116970 BGCSJYXJOMBCHV-WLRTZDKTSA-N 447.443 4.656 30 10 IJEE C=C(CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OC 1892320250 BHCZYNPYEQWFSU-OAQYLSRUSA-N 441.549 4.650 30 10 IJEE C#C[C@H]1N(C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1(C)C 1899917058 YKXPROKSQMROKR-LOSJGSFVSA-N 444.575 4.810 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC2 1912158127 VPTGKBCEPZKAMR-VUZGARFFSA-N 434.541 4.654 30 10 IJEE CN(C[C@@](C#N)(N(C[C@H]1CCCO1)C(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1944385847 NETKZRGTJISFER-UZUQRXQVSA-N 439.597 4.578 30 10 IJEE CC(C)(C)OC(=O)N(CCCC(=O)N(CCC#N)CC(F)(F)F)Cc1ccccc1 1985173220 RRTGGXIALTUELX-UHFFFAOYSA-N 427.467 4.508 30 10 IJEE Cc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3Cc2ccc(C#N)cc2Br)cc1 2087918542 FSOURTQIHJXTHU-UHFFFAOYSA-N 447.288 4.816 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 2094848578 DMZWVHMNPGXUOF-UHFFFAOYSA-N 438.377 4.623 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2cccc(CC#N)c2)C1 2124696582 IAWGVGWSFITRIF-SANMLTNESA-N 449.551 4.535 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CN(c1cc(Br)cc(F)c1C#N)C2 2174810027 HOBDTZJOKJYYSL-RNODOKPDSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1c1ccc(C#N)c(Br)c1 2174811221 VLMPZNWEXJXUPD-QGZVFWFLSA-N 448.283 4.747 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 2180957273 LOMQQCILEFXAQW-UTKZUKDTSA-N 441.410 4.870 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN2c2ccc(C#N)c(Br)c2F)C1 2182069957 RCCMKPAWJARYTF-FQEVSTJZSA-N 438.341 4.830 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@@H](N)C#Cc2ccccc2Br)C1 2235723715 LMSQOFJIHPQOJK-JLMWRMLUSA-N 433.390 4.555 30 10 IJEE COc1cc([C@@H](N)C#Cc2ccccc2Br)ccc1NC(=O)OC(C)(C)C 2235726012 XEBJFZFXOFEOOG-KRWDZBQOSA-N 431.330 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(O)C#Cc2ccccc2Br)C1 2235738762 CMKZOOTUOXBZKC-HMFYCAOWSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2255797857 MJNDBSLLIXIWAJ-UHFFFAOYSA-N 430.354 4.666 30 10 IJEE CC1(C)OB(c2cnc(C(=O)N(Cc3ccccc3)c3ccccc3)c(Cl)c2)OC1(C)C 2267155262 RCFKCZXPNDAADG-UHFFFAOYSA-N 448.759 4.881 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)CCC2)OC1(C)C 2267455533 AYALFOYCPLQKIV-KOUNCHBCSA-N 438.421 4.562 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)c1 2268993807 NKRXCISPNHXNNY-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CCC[C@]1([C@@H](O)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296224338 IZLQZFQIIDJKAJ-UGKGYDQZSA-N 436.390 4.979 30 10 IJEE C[C@H](Oc1ccc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)cc1)C(=O)O 2314928980 FQKCEDSMPWOGDW-JTQLQIEISA-N 437.304 4.737 30 10 IJEE CN(CC(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317351834 OROBIBAZEZHQER-UHFFFAOYSA-N 432.370 4.751 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2cccc3ccccc23)cc1 2321106674 UFRGBPRSHDGPBN-UHFFFAOYSA-N 429.549 4.915 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(NC(C)=O)c4)c3C)C2=O)cc1 2322959125 FHILGHLJPQBTDU-UHFFFAOYSA-N 443.455 4.797 30 10 IJEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(OC)c(Cl)c1 2322974875 CBWAWAKHJMQVAU-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)c(Br)c1OCCCO 2323053046 JOXIYTWIOXHALO-UHFFFAOYSA-N 445.353 4.994 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1OCC 2323541002 OYAZQBJXTFNLFB-UHFFFAOYSA-N 428.533 4.757 30 10 IJEE O=C(C=Cc1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 2324041670 YJRWQCMJBROCOU-UHFFFAOYSA-N 431.444 4.884 30 10 IJEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OC 2324474626 ZFFWOFSLWXEPSG-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc(OC)c1 2326272444 MOITUKLKJSNXMY-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(SCCO)n1N=Cc1ccc(Cl)cc1 2326417712 ARCWAVSVPWRWRZ-UHFFFAOYSA-N 444.988 4.527 30 10 IJEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(C(=O)OC(C)C)o2)cc1Cl 2326862729 IPXDSWIZOOVSOM-UHFFFAOYSA-N 448.932 4.663 30 10 IJEE Cc1ccsc1C=Nn1c(Cc2ccccc2F)nnc1SCC(=O)OCC(C)C 2329777343 SRCJTPYFJVJVJU-UHFFFAOYSA-N 446.573 4.551 30 10 IJEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1CCCO1 2330999245 YCOGVIFJZKXEAP-KRWDZBQOSA-N 436.368 4.949 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2F)cc1 2331046521 LUVYWKCWZKTCKN-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE COCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(F)cc1F 2331312411 RXDAHYLUMPMDKC-UHFFFAOYSA-N 440.878 4.712 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332188291 CXGVEZDJBIGJDK-UHFFFAOYSA-N 425.879 4.972 30 10 IJEE CC[C@@H](CN(CC)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339544690 KJOQLZHHWYAABB-IBGZPJMESA-N 445.413 4.856 30 10 IJEE O[C@H](C#Cc1ccccc1Br)c1ccc(Cl)cc1I 2340036824 LJHBHHINPSSLGN-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC(=NOCc1nc2c3c4c(sc3ncn2n1)C(C)(C)NC(C)(C)C4)c1ccc(C)cc1 846164 XSAGUYFAUDEGKH-UHFFFAOYSA-N 448.596 4.748 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(-n3cccc3)cc2)nc2c(C)cccc12 12240301 RDVHPXKJJAKFOQ-UHFFFAOYSA-N 432.487 4.952 30 10 IJEE Cc1cc(C)c2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccccc4)c3O)oc2c1 38619842 LJKQOZQHSNDAHU-UHFFFAOYSA-N 426.472 4.685 30 10 IJEE C=C(C)n1c(=O)n(CC(=O)N(c2c(C)cccc2CC)[C@@H](C)COC)c2cc(C)c(C)cc21 40311302 GIPVGWPGQZJQDN-NRFANRHFSA-N 449.595 4.849 30 10 IJEE O=C(c1ccc(Cl)s1)N1CCC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96309794 PECDPAHWFYPDCL-NRFANRHFSA-N 429.977 4.650 30 10 IJEE biogenic CC[C@@H](C)[C@H]1C(=O)/C(=C(/O)[C@@H]2[C@@H]([C@]3(C)O[C@H]3C)C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@@H]23)C(=O)N1C 102216257 NPWKEUKXVOMELT-ZVEHCZCQSA-N 429.601 4.532 30 10 IJEE CCCCCCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 102219780 DLCCOSCILRWOBM-UHFFFAOYSA-N 439.556 4.963 30 10 IJEE COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/C=C/c2ccccc2)C3=O)cc1 102729996 QSNYIWOZCYUZHQ-RCSBLCLSSA-N 434.469 4.635 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923119 VDOAWAPATWKOHF-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccn2)cc1 169998392 PVJKHGLCDFXYNU-HSZRJFAPSA-N 430.479 4.604 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(C(=O)O)cc3)[C@H]2c2ccccc2)c1 170051182 NHUGJSOLCJFPAQ-QHCPKHFHSA-N 441.483 4.780 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170162246 JXCVLYKRKLQXSQ-IFXJQAMLSA-N 443.908 4.905 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccs1 170164240 JZFGBQIQGACGRX-MRXNPFEDSA-N 426.321 4.670 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)cc1 170168102 OSOXPAYLGOLTNE-NRFANRHFSA-N 434.517 4.709 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)c1 170185379 FXUBBWTZNJQLRK-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)c1 170185482 YLEPEQFGYRFBCE-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)cc1 170187458 TZYJMVMOSYHPEP-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)cc1C 170187884 NZGKPKCLNZJCDA-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccncc2)c1 170200756 LUGHMGOAFGNIFL-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)ccc1Cl 170209223 TVVIZELHTCVBNC-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170241234 YKAZUEDIWNRZEP-QFIPXVFZSA-N 433.435 4.522 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(O)c2)cc1C 170258954 ONXVEKYCSOPICZ-HSZRJFAPSA-N 445.471 4.588 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccco2)cc1 170279420 ZHXVNOURHNRWHW-JOCHJYFZSA-N 432.476 4.527 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccco1 170282745 BEJNJWUMPWYVMH-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170409797 KSNAMSXSRYYTFH-QHCPKHFHSA-N 439.471 4.525 30 10 IJEE N#CC1CCC(CNC(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)CC1 441016858 WCMXQMXSNJBBAG-UHFFFAOYSA-N 427.442 4.885 30 10 IJEE C=CCN1CCC(NC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)CC1 443938091 DCWIBZSOANWWDM-UHFFFAOYSA-N 437.931 4.847 30 10 IJEE N#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1C#N 477363031 FCRTUDBCZXJQGV-UHFFFAOYSA-N 432.509 4.517 30 10 IJEE Cc1ccccc1-n1nc(C)c(CN(C)C(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1C 498293148 RWFIYBFXQMFQQV-RUZDIDTESA-N 430.552 4.731 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1OC 513238668 OWCDPCOLJGRTGY-GOSISDBHSA-N 430.504 4.515 30 10 IJEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC(C)=O 526516528 OYARVNRLIOYZID-JOCHJYFZSA-N 446.484 4.611 30 10 IJEE Cc1ccc(SC2=C(N3C[C@@H](C)C[C@H](C)C3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526685678 DDIAVQKGZPBRCG-ROUUACIJSA-N 431.561 4.722 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(OC)c(O)c(OC)c1 526826227 WZEOHYTUGPWTBU-CFRMEGHHSA-N 444.532 4.657 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 549271922 VSHGKWLHRXHMBY-UHFFFAOYSA-N 443.595 4.616 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 555238739 XLQHXWPBRSJZHN-XMMPIXPASA-N 437.632 4.663 30 10 IJEE CCOc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 609028539 CAUAXAFMXSVFOL-OAQYLSRUSA-N 431.448 4.567 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)cc1OC 737600365 QYWDGMDMZJDDTE-VKKDNOAKSA-N 436.552 4.521 30 10 IJEE COc1ccc2sc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c(C)c2c1 745342049 GCDJVYMVGQFKPP-LBPRGKRZSA-N 440.546 4.824 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CCc3ccc(C(C)=O)cc3CC2)c1=S 755773236 FDMQDRFSFSCNJD-UHFFFAOYSA-N 448.592 4.537 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1cc(Br)ccc1F 759205429 JJRCFPGTFKXTIK-GOSISDBHSA-N 445.332 4.993 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3cc(N4CCCC4=O)ccc3Cl)c2)s1 760388787 AIZVIXHUPOAKAL-UHFFFAOYSA-N 435.936 4.997 30 10 IJEE C=CC[C@@]1(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)CCCN1C(=O)OC(C)(C)C 791717852 LVKCIDHINWHSFJ-OSPHWJPCSA-N 441.528 4.995 30 10 IJEE CC(C)(C)NC(=O)CCSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084262514 BQWWUTDZCHWVAM-UHFFFAOYSA-N 446.580 4.954 30 10 IJEE C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1126549266 DZWKXVWJSGLGBS-LBPRGKRZSA-N 432.336 4.624 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3OCCC)cc2C1=O 1126826107 TYJDMJDMTDJQBL-JOCHJYFZSA-N 434.536 4.775 30 10 IJEE COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)CSCc2ccc(C#N)cc2)c1 1126984878 FZACBTOAPGRGHM-UHFFFAOYSA-N 446.528 4.796 30 10 IJEE C=CCc1cc(C(=O)N(CCCOC)[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc(OC)c1OC 1128323935 AJOOSILRCPLZCU-FUBOCBINSA-N 427.585 4.736 30 10 IJEE C#Cc1ccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)c(Cl)c1 1134435005 IMYPRNDDZQTXFH-UHFFFAOYSA-N 436.718 4.767 30 10 IJEE C#CCC1(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCCC1 1136233515 XLSRTDFNQYNZPR-UHFFFAOYSA-N 432.492 4.678 30 10 IJEE C#C[C@@H](NC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)nc1O)c1ccc(F)cc1 1141326038 ZBOKRISOJVCFQW-JOCHJYFZSA-N 429.495 4.961 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1147118063 STBSBTLWUHFDNK-JOCHJYFZSA-N 442.600 4.680 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1148674579 LNCAWYIILGGVTJ-SJORKVTESA-N 441.450 4.516 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C)C(=O)OC 1155467157 QDKHDTNOKHSGRA-QHCPKHFHSA-N 431.536 4.784 30 10 IJEE C#CCN(c1cc(C(F)F)nc(SC)n1)[C@@H]1CCOc2ccc(Br)cc21 1162523019 ARKLDLVXHDVHLI-CQSZACIVSA-N 440.313 4.862 30 10 IJEE C=CCn1c(SC[C@@H]2CCNC(=O)CC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1165446899 ZHLGSMJAFSBZMT-INIZCTEOSA-N 439.606 4.628 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc([S@@](C)(=N)=O)cc2)cc1OC 1179640991 HGGRNWVOOOMAQI-VWLOTQADSA-N 425.348 4.670 30 10 IJEE C#CCN(C(=O)Nc1ccc(N(C)CCCC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1200196935 IYJUZZDTADITLL-UHFFFAOYSA-N 442.604 4.790 30 10 IJEE C/C(=C\c1ccccc1OC(F)F)CNc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1202638697 QAFHKOYLKZQUAD-FFTBHQOMSA-N 449.523 4.616 30 10 IJEE CCCc1c(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)cnn1-c1cccc(C#N)c1 1204995416 FJOREJVWGYXLQG-UHFFFAOYSA-N 425.496 4.835 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cc(-n2ccnn2)ccc1F 1265007686 BAVHQGUVYXQYGP-UHFFFAOYSA-N 431.858 4.778 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)c(OC)c1 1286302765 ABNYZVFWLCFQDS-YRISNDGFSA-N 445.007 4.559 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCSC(C)C 1286304025 DLYJWOGVKGRGED-CQSZACIVSA-N 427.401 4.763 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@@H](c1cccs1)N1CCCC1 1286458500 VWLCSAMUWFFFPJ-NRFANRHFSA-N 437.588 4.518 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 1286496857 WYEQCKVJAKETIJ-UHFFFAOYSA-N 436.629 4.522 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1286505250 YYVJPDFVBDUZJL-UHFFFAOYSA-N 446.567 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1286584145 XJQMXVFYQMONMC-ZCYQVOJMSA-N 448.615 4.710 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1Cc1cn2ccc(C)cc2n1 1286680272 IVEBSBWKOABGIS-UHFFFAOYSA-N 429.572 4.836 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC1(OC)CCCCC1 1286746001 MKZIQIDRMNZPGG-UHFFFAOYSA-N 431.584 4.806 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C(C)(C)C)no1 1286754447 QGKVMNGFBPDAPS-UHFFFAOYSA-N 445.365 4.548 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1cccs1)N(C)C 1288516846 FKRZGJACKCNLPR-OXQOHEQNSA-N 433.585 4.529 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccnc2Oc2cccc(F)c2)o1 1289530692 DCCUQAZMMMHYJD-INIZCTEOSA-N 446.486 4.817 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)cc1 1289845153 WVRWLRORNPLAHW-NRFANRHFSA-N 442.600 4.728 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C1CC1 1295588473 GUHNXTUQBVERIK-JOCHJYFZSA-N 441.988 4.719 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 1296528517 AAXKIYTUXVRVAQ-MLGOLLRUSA-N 434.886 4.961 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1c[nH]nc1C 1300602257 BTWNRXISMYPPRB-UHFFFAOYSA-N 438.988 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1300872170 FQEUPJQRWKMIIG-CMMJUNJQSA-N 430.637 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1300876043 RFXMXQIVMSQODX-YCAMKHIRSA-N 443.680 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1300906892 UPXLTOWAFAHIOH-HSZRJFAPSA-N 433.600 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(-c2ccsc2)nc1 1300919025 QRBPEXFJAOEFCY-UHFFFAOYSA-N 430.581 4.838 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1300944692 DPCBMCDYPQTCDB-JPYJTQIMSA-N 440.588 4.712 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1Cc2ccccc2O[C@H](C)C1 1301207384 VJAHMDJGCLSBSB-OAHLLOKOSA-N 442.361 4.789 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301234340 IQXKETDJHVJAGU-HXUWFJFHSA-N 442.629 4.619 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@H](C1CCCCC1)N(C)C 1301351160 LLRBUAUSOLWALK-QHCPKHFHSA-N 425.596 4.998 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCSC1 1301364821 AEQHDZOOQSRASF-SFHVURJKSA-N 440.638 4.885 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CC(F)(F)C2)C1 1301567471 WZYDWUKHECXGLR-GOSISDBHSA-N 434.556 4.705 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 1303047104 RLADITGBWMESBV-FQEVSTJZSA-N 430.504 4.788 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1)C(=O)OC 1307253264 SPJMCRYXWRBBPC-SFHVURJKSA-N 429.929 4.806 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 1310018705 LRAZEEIRJOOAAH-OAQYLSRUSA-N 426.992 4.791 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCc2c(Cl)ccc(Br)c2C1 1310463238 GJEWLTVFGLBCJI-LBPRGKRZSA-N 434.721 4.984 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 1312541803 ASFDTFGOSGZUAL-GOSISDBHSA-N 433.474 4.691 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CCCN(c3ccccc3OC)CC2)c1=S 1335301178 ROQBXCSOZQUMEG-UHFFFAOYSA-N 449.624 4.754 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(Br)cc3cccnc23)cc(OC)c1OC 1358049142 JOJIYBQOZAADNH-UHFFFAOYSA-N 441.325 4.673 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(OC(F)F)c1 1358910347 LVYWUWZLRNVSSV-UHFFFAOYSA-N 425.483 4.690 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCN1CCCC[C@H]1C 1358972683 OQHLFJVZXNTBPS-HSZRJFAPSA-N 445.655 4.970 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1359125631 MNDXRGFCZWATFV-HAGHYFMRSA-N 429.609 4.941 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCC(F)(F)C(F)F)CC1 1359165979 AZAIUNPTTDUZTL-UHFFFAOYSA-N 446.876 4.596 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCC(C)CC2)CC1 1359166365 PTFLHNCHEXWTOY-UHFFFAOYSA-N 428.024 4.801 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)N(CC)CC)CC1 1359175005 WOIGFESRGODULY-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC=C(C)C)CC1 1359182519 JDJFAPIKSDYLSM-BGYRXZFFSA-N 429.609 4.808 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](OC)C(C)(C)C1 1359223370 JGLAOUSESADTBW-UWJYYQICSA-N 444.645 4.585 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CC1(O)CCCCC1 1359254986 KJXUILPCMRSACN-UHFFFAOYSA-N 426.605 4.763 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H]1OCCC1(C)C 1359260786 OEPLHVKSPGMXGP-NHCUHLMSSA-N 428.552 4.667 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1Cc1sc(C)nc1C 1359278326 QIZOXEYDISJDKW-UHFFFAOYSA-N 425.602 4.961 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCSCC(C)C)C1 1359316874 XXVZOMNYJYXZOL-KRWDZBQOSA-N 439.000 4.908 30 10 IJEE C#CCOc1cccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 1359925920 WBEQNOULJQYZPR-XUZZJYLKSA-N 431.513 4.768 30 10 IJEE C=CCCC[C@H](C(=O)NCC(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 1361053115 ZZKSFRXRYBJOBH-IBGZPJMESA-N 429.358 4.952 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1 1361104766 WVORGDRTPGNWMO-UHFFFAOYSA-N 434.858 4.790 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1435221601 NTJYTRCLXGKUOX-LJQANCHMSA-N 432.561 4.981 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 1436004794 ZYJGXISAEINIPJ-UHFFFAOYSA-N 440.462 4.567 30 10 IJEE C=CCc1cc(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)cc(OC)c1OC 1438150391 HBVCCPZKTVYWDK-GOSISDBHSA-N 425.359 4.801 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1440664851 GPACMYVYUWQLSO-UHFFFAOYSA-N 448.431 4.640 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)c1 1441547885 OBPROVXCVVFTQP-OAQYLSRUSA-N 443.977 4.718 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)C(C)(C)C)c3)n[nH]2)c1C 1443868973 QZZNDGUJDVSEHC-UHFFFAOYSA-N 434.544 4.621 30 10 IJEE CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1459638788 GNAHAACVKFLCGE-DEOSSOPVSA-N 428.580 4.917 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1cc(Br)ccc1Cl 1459937358 CDKIAXKRSRBZSN-OAHLLOKOSA-N 434.765 4.870 30 10 IJEE N#Cc1ccc2nc(NC(=O)[C@H](Oc3ccc(Br)cc3)c3ccccc3)[nH]c2c1 1461916468 GWQUUDJJWSGBPY-HXUWFJFHSA-N 447.292 4.956 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccnc1 1463617344 GGVPRMOHKBSKNN-RUZDIDTESA-N 441.531 4.571 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(c2ccccc2)c2ccccc2)cc1 1465256849 DJUFRJQKTASRIF-UHFFFAOYSA-N 449.576 4.578 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCCN(c2ccccc2)C1 1466817321 YORHNNSGFBVCCV-QGZVFWFLSA-N 430.346 4.804 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 1470785607 AVWMUYXFUQXDNL-JLZZUVOBSA-N 449.311 4.935 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 1475930274 XORLYCPYHZPZDJ-YOEHRIQHSA-N 425.476 4.855 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1ccc(Br)c(Br)c1 1476429680 KSDCVASRPZIHBP-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCN(C)C)Cc1ccccc1 1476728774 LJUGRPSSKDZLML-UHFFFAOYSA-N 432.362 4.610 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Br)cc2OC)cc(OC)c1OC 1476921832 WURHOXVVIOVYCK-UHFFFAOYSA-N 435.318 4.525 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1)c1ccc(Br)cc1 1478023483 KKGMJJJVJXAUFD-HJNYFJLDSA-N 441.369 4.899 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1 1478257089 HBUANHRDSWTVPE-UWJYYQICSA-N 449.364 4.746 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc(Br)cc1 1478534949 OHSNPJAGNIMVSY-RYQLBKOJSA-N 448.158 4.741 30 10 IJEE C[C@H]1C[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1493311249 FWWVDKOVBVDPAK-AJYBTWMASA-N 441.551 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCOC1CCCCCC1 1507517382 PTDBZTOYFSZAJY-RBUKOAKNSA-N 428.552 4.755 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)noc1C 1507555992 CZLAFBRDUHPNHS-SFHVURJKSA-N 425.508 4.602 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1507743716 BJLDEMIYQAUGDN-QAPCUYQASA-N 433.419 4.699 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1507755567 OXILVSVUGPYGRE-QHCPKHFHSA-N 438.641 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(Cl)c1 1507800862 YUTVDRBRHVIVRD-TYPHKJRUSA-N 430.980 4.791 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN(C)[C@H](C)CC)CC1 1507880095 HGWJQXPGNVHSFO-GOSISDBHSA-N 446.437 4.903 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(OC)c(Br)c1 1507919985 IXZZYVHRBWKYSS-UHFFFAOYSA-N 445.365 4.796 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1507943798 HJMWVNAZVALSER-SFHVURJKSA-N 429.996 4.553 30 10 IJEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1507960312 OINQQOROLWNNCL-UHFFFAOYSA-N 433.556 4.558 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1(F)CCC1)C1CC1 1507994598 VVIRXTXDCLIIBX-UHFFFAOYSA-N 447.599 4.830 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1cccc(OC)c1 1508008390 NWKNITJWJALCAH-HXUWFJFHSA-N 438.597 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@H]1OC 1508011839 OLICFCHENACARY-HUUCEWRRSA-N 437.407 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCCCC1 1508012226 ZIHIDTIYYKZFJZ-HXUWFJFHSA-N 429.634 4.648 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCOC[C@@H]1OC 1508015305 QRFNUNGZIATHAR-PMACEKPBSA-N 442.629 4.505 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1ccc(C)c(OC)c1 1508027788 OPVMQTXFEZAWGN-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1508412344 AWUHGFSWQGGOKL-OSWQYVSFSA-N 434.588 4.798 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@](F)(C#N)C2)C1 1512173174 HDHQWZJDLBGIDN-GAJHUEQPSA-N 444.986 4.551 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(CC)CCOCC1)C1CCCC1 1515442223 CICWAKCJKDJBQC-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2cc(Cl)ccc2OCC)CCCN1C(=O)OC(C)(C)C 1518662062 YJHVTTOIMODASS-QHCPKHFHSA-N 436.980 4.743 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2cccnc2)n1CC1CCC(C(F)(F)F)CC1 1521154594 GHNKBOPMGAVBOP-UHFFFAOYSA-N 432.494 4.839 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(c3ccc(C)c(C)c3)CC2)s1 1521353619 BXUZTLJERMIDAL-UHFFFAOYSA-N 436.046 4.804 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1526889579 USCSUTJRYCNOQG-QGZVFWFLSA-N 447.000 4.956 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1530354796 GPZMKAPNXKBQCB-VWLOTQADSA-N 444.572 4.947 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCOc4cc(Br)ccc43)c2)c1 1531617889 FZBQNZOZOMTWMC-UHFFFAOYSA-N 449.304 4.939 30 10 IJEE Cc1nc(SCC(=O)OCc2cnc(CCc3ccccc3)s2)c(C#N)c(C)c1C 1532684518 BUDQCWCCXACIBQ-UHFFFAOYSA-N 437.590 4.956 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(Br)ccc2NC(=O)OCC)cc1 1535773118 XEMDUNXBTFZNSA-UHFFFAOYSA-N 433.302 4.764 30 10 IJEE C=CCCC[C@H](NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccccc1 1537027298 WOFMEQUWIHHURA-IBGZPJMESA-N 445.489 4.906 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3C)CC2)cc1OC 1537542634 SQAGLKCSZXUICB-PKNBQFBNSA-N 426.944 4.584 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCCC1(F)F 1539147230 DHXCOTKEFZWESJ-QZTJIDSGSA-N 432.515 4.712 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1539194908 IMNOLCUBUBHPES-YJBOKZPZSA-N 440.897 4.949 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCC1CCC(OC)CC1 1539558867 OKPPTRJKBLIAAP-ZPHNUYGRSA-N 442.554 4.735 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1539676281 LSYPUNMLLORGOH-NHCUHLMSSA-N 442.652 4.772 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(OC)CC1 1539731123 YMOBXBFAWOHAMV-DVECYGJZSA-N 446.567 4.545 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1539788155 YYMHWEKKJLQMCN-HSZRJFAPSA-N 448.995 4.890 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)CN2CCCC2)CC1 1539860009 ZYDHFWDGOAWZTK-UHFFFAOYSA-N 437.632 4.698 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2OCCC2(C)C)CC1 1539874307 LNDLFVGNFLSRSC-DYESRHJHSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1539910753 OCQZJTGPLMOUEA-JOCHJYFZSA-N 438.664 4.978 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(C2CCCC2)CC1 1539974795 VGAHCMNIEKSPIU-UHFFFAOYSA-N 441.595 4.807 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cccnc1OCC)C1CC1 1540101422 BGKNGQSNKGMSFW-UHFFFAOYSA-N 439.947 4.604 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCSCC=C)C1 1540885292 FYSNRPINZLEAAF-HKUYNNGSSA-N 444.670 4.832 30 10 IJEE C#CCN(C(=O)c1cc(Cl)cc(C)c1N)[C@@H]1CCOc2ccc(Br)cc21 1543685209 ATBOMFALLXKEFN-QGZVFWFLSA-N 433.733 4.592 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3C[C@H](C)CN3CCCC3)cc2C1 1543858974 BWLBPJHLVFHKNO-GUDVDZBRSA-N 440.661 4.602 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 1544936859 HFGBGUKRMPMFPY-RTBURBONSA-N 437.540 4.914 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3ccc(S[C@@H]4CCOC4=O)cc3)cc2)c1 1547445997 GYOLKSHNWJIUMV-HSZRJFAPSA-N 444.512 4.797 30 10 IJEE CO[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N)C(C)C 1554670214 ANWOFBVENJXPIV-RDTXWAMCSA-N 440.375 4.573 30 10 IJEE C=CCCCN(CC)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1558698520 CEANIYBCHIPGIF-UHFFFAOYSA-N 443.632 4.751 30 10 IJEE C=CCn1c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCC3 1559328746 LTZANSJCNNGHDF-UHFFFAOYSA-N 433.942 4.987 30 10 IJEE C=CCn1ncc2ccc(N[C@H](C)CC(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc21 1561028448 JQBBAZKOLSMECU-CQSZACIVSA-N 440.569 4.907 30 10 IJEE C#Cc1cccc(CNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)c1 1583841023 MHGOVFLYYIBCIH-UHFFFAOYSA-N 443.856 4.945 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccc(CC)cc2)on1)[C@H](Cc1ccccc1)C(=O)OCC 1585020461 KMPBXNMJJBRCRT-HSZRJFAPSA-N 432.520 4.707 30 10 IJEE C=C[C@@](C)(O)CC(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1586115513 QNCHGDRQWHVSIA-DENIHFKCSA-N 432.358 4.923 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1586666926 GWBMQCJHPSUOSP-JOCHJYFZSA-N 434.536 4.864 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC[C@H]1CCCCO1 1588180784 KQXZCUCJBBOAPO-BJKOFHAPSA-N 448.611 4.847 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1589006836 IUNYNNVJSGTDBY-UHFFFAOYSA-N 448.592 4.905 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1589543736 BEFORBIBZHUKPB-OFNKIYASSA-N 439.991 4.634 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@](C)(CC)C1 1593660052 FKIOPEMEBLKGNB-HSZRJFAPSA-N 432.996 4.833 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(CCc1ccc(F)cc1)C1CC1 1593895457 PXEZKLCFUUMJPZ-UHFFFAOYSA-N 431.968 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1594472459 FFCAPUBSUHSSER-QFIPXVFZSA-N 437.632 4.851 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@H]21 1594829033 AEQLOQYBSLMALF-DXBBTUNJSA-N 430.637 4.948 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1)C1CC1 1595064827 BXNBRVLMYMMPQI-UHFFFAOYSA-N 444.023 4.930 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@H](F)C1 1595120468 ULHWHAIMSSFRRQ-WOJBJXKFSA-N 425.577 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCN1CC 1595185424 YQPAKOJDSLVPMX-FQEVSTJZSA-N 444.421 4.760 30 10 IJEE C=CCn1c(SCC(=O)c2cccnc2OC)nc2scc(-c3ccccc3)c2c1=O 1613284386 XVEWAZHTSKIDHJ-UHFFFAOYSA-N 449.557 4.690 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 1616440225 NGOBQYOGUUWKIT-UHFFFAOYSA-N 427.541 4.598 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CCCC1(C)C 1634321733 ORKWFEPOQAXVQT-QHCPKHFHSA-N 440.609 4.680 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 1640258164 VXAUHMGSXGDDCN-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1640641710 MATYVYLGQQKXJT-OAHLLOKOSA-N 432.542 4.802 30 10 IJEE C=CCn1c(SCC(C)(C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O 1643333998 JGOZITBWMXGCOL-UHFFFAOYSA-N 428.579 4.911 30 10 IJEE C=CCn1c(SCc2ccc([N+](=O)[O-])c(OCC)c2)nc2sc3c(c2c1=O)CCC3 1643464883 SNDZUCFSRQMGBJ-UHFFFAOYSA-N 443.550 4.732 30 10 IJEE C#CC[C@H](NCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 1645099938 HMTQYZDMACEHBW-MHZLTWQESA-N 448.570 4.569 30 10 IJEE C#CC1CCN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CC1 1646385463 JZDIYZYHFBEXKY-QFIPXVFZSA-N 446.532 4.743 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)CN2CCC[C@@H](C)C2)cc1OCC 1648914011 MKWDSTYKKVYGBE-SJORKVTESA-N 425.411 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1649538378 CNRZXLFSVSZGPI-FYYLOGMGSA-N 432.572 4.614 30 10 IJEE Cc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2C#N)c2cccs2)cc1 1651866375 DFHOVNKQQMTYTL-OAQYLSRUSA-N 441.350 4.975 30 10 IJEE C=CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1cc(Br)ccc1F 1653289077 AEVKXPDFPBTRLY-JOCHJYFZSA-N 431.349 4.844 30 10 IJEE C=CCn1c(Sc2nccc(Oc3cccc(C#N)c3)n2)nnc1-c1ccc(F)cc1 1654929897 QNVFVZGNJXHDRG-UHFFFAOYSA-N 430.468 4.875 30 10 IJEE Cc1cc(S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc(C)c1OCc1ccccc1 1655201326 GGJOFQFUBNJCDA-XMMPIXPASA-N 432.545 4.720 30 10 IJEE C[C@H](Sc1nnc(O)n1CCc1ccccc1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 1656035971 QXKZGFNFKJFPJV-DBZAVIBRSA-N 448.592 4.588 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1OC 1656790303 KFJUEOXFNIAJRW-MRXNPFEDSA-N 441.881 4.696 30 10 IJEE C=C(CC)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1657618482 JQAGWFBRCDZFAO-UHFFFAOYSA-N 431.558 4.597 30 10 IJEE C=CCc1cc(CN[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc(OC)c1O 1657765300 LLWSEQVYUSBWPZ-QIJUGHKUSA-N 430.589 4.643 30 10 IJEE C#C[C@H](N[C@H](C)CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 1659877670 CXHVTNCBMRWRKT-IERDGZPVSA-N 439.353 4.568 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2cnc3c(Br)csc3c2)CCCC1 1665005926 PMELDLQDXLYDMY-UHFFFAOYSA-N 429.405 4.864 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1666921790 ZBFSXLMDVCCPNB-OAQYLSRUSA-N 441.597 4.560 30 10 IJEE Cc1cccc(Oc2ccccc2NC(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 1667477424 FDKIHFYTTWGTAU-UHFFFAOYSA-N 433.537 4.778 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1669277026 SVWVTWQZFFJLKE-QUCCMNQESA-N 437.506 4.993 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)cc1 1670647808 NYLAQTYUDJPDBC-UHFFFAOYSA-N 426.626 4.869 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCO)[C@H]1CCc2ccccc21 1672209805 JYYKFHAFSPBOTB-IBGZPJMESA-N 431.330 4.528 30 10 IJEE C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1673265046 AVJUVSXJQJTVGU-WMZOPIPTSA-N 436.512 4.720 30 10 IJEE C=C[C@H]1CCCCN1C(=O)Nc1cc(Br)cc(I)c1 1673414263 UCJJRRSPKKUGFH-ZDUSSCGKSA-N 435.103 4.626 30 10 IJEE C=CC[C@@H]1N(C(=O)NC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)CCCC1(C)C 1678027287 WNMUCTIBJIQRBX-GOTSBHOMSA-N 425.617 4.948 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1678328540 ZXLNMIXISLDFND-NFBKMPQASA-N 438.591 4.515 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(Br)cc1 1683680810 HLXKSXWHBWNACN-OALUTQOASA-N 425.326 4.869 30 10 IJEE C=CC[C@H]1N(C(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)CCCC1(C)C 1683754705 FQLWSSPTUCHVAP-GOSISDBHSA-N 448.633 4.713 30 10 IJEE C#CCN(C(=O)NCC(C)(C)C(F)(F)CC)[C@@H]1CCOc2ccc(Br)cc21 1687312422 GAHLJPJSCBUKAZ-MRXNPFEDSA-N 443.332 4.989 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1(F)CCC1 1690003205 GZJWCLVTBQGDNF-UHFFFAOYSA-N 429.543 4.708 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC1(c2ccccn2)CCC1 1690038257 JDQHDJRINYSENI-UHFFFAOYSA-N 429.955 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC1CCOCC1 1690192691 CHZOJACLURHFGD-QFQXNSOFSA-N 436.600 4.844 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C)C1 1690222974 ARQMISGNSFVGFR-HNNXBMFYSA-N 449.393 4.886 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690274752 CGCGTCNRBJXGMC-PKTZIBPZSA-N 437.632 4.923 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ncccc2N(C)C)CC1 1690368699 IQMSOLJWVBXHDT-UHFFFAOYSA-N 443.382 4.918 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690451892 SIKNUBKWPFLOSQ-AGQFNQOXSA-N 428.552 4.511 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1690480383 GOGPXHMEETVASU-LJQANCHMSA-N 446.555 4.769 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)c(OC)c1 1690578397 WGQDTZJEBDBIEM-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1CCc1nc(C(F)(F)F)cs1 1690588282 PUYWJFLQYKLLLE-UHFFFAOYSA-N 449.502 4.850 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@H]1C 1690600999 NDQMLWJFAAEXKZ-VGSWGCGISA-N 433.021 4.953 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N)OC 1693952666 CKHUEIYKSHTQTF-ZIFCJYIRSA-N 429.634 4.932 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1c(F)cccc1F 1705540433 ZTMCSNBOUAVVTK-DYESRHJHSA-N 430.543 4.915 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1705706882 AGGTVVYAFLRJHQ-ROUUACIJSA-N 439.604 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nccc(C(F)F)n1 1705711808 SNUYMSSSXRCRQX-UHFFFAOYSA-N 449.509 4.980 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](CC)C1 1705730419 KDELYXGEMOCRRX-NHCUHLMSSA-N 444.645 4.959 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCCC2)C1 1705746919 BADNBNNTPQCXJV-QGZVFWFLSA-N 434.943 4.849 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(OCCc2ccccc2)CC1 1705795019 ASACEMABFGZSBW-HSZRJFAPSA-N 438.616 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705802950 ZUSVWQDFUSDXQF-INDMIFKZSA-N 429.609 4.640 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C)CC1 1707039974 CXKXRSBGEPEMDH-OPAMFIHVSA-N 431.943 4.930 30 10 IJEE CCOc1c(Cl)cc(Cn2c(CC(C)C)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1710498330 BRHNGLGAUIFCQT-HSZRJFAPSA-N 445.995 4.716 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722334624 DMZNXTAECCPLQZ-JOCHJYFZSA-N 425.665 4.905 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N(C)CC1CC(F)(F)C1 1722507185 WYHPYKXSFPRJPE-IFMALSPDSA-N 430.543 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1722509440 PFUIIAICAOZEIK-LQWHRVPQSA-N 431.650 4.983 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1CC(CC)(CC)NC(=O)OC(C)(C)C)C1CC1 1722649586 VEPBQOKCPCEICY-LJQANCHMSA-N 447.624 4.758 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1 1722673561 WHWVZHFWPWNQRW-RTWAWAEBSA-N 430.543 4.843 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1CC1(c2ccccc2C)CCOCC1 1722679895 PEINFMMMFISHGD-UHFFFAOYSA-N 438.616 4.631 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2csc(C)c2)C1 1722722343 NBGZOGIYRSVJBU-NRFANRHFSA-N 438.597 4.619 30 10 IJEE CO[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1729861775 BQUDPACUXCJEDB-JXFKEZNVSA-N 445.995 4.873 30 10 IJEE COCC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1730519026 IFNVOUBGFQFLMR-HSZRJFAPSA-N 439.629 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN(CC)C(C)C 1740734880 FVBIGTLUZORFAS-HSZRJFAPSA-N 446.064 4.946 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(Cc1ccc(F)cc1)C(C)C 1740757562 PQAWPJMSHYNWGI-NZQKXSOJSA-N 435.547 4.875 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1740796434 WMGXUTIWDLJVLM-XMMPIXPASA-N 437.632 4.709 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOCC2(CCC2)C1 1740801440 ABGUJAAYYPQWIS-INIZCTEOSA-N 437.371 4.831 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740829065 JBQCGOMOYRYJBQ-HXUWFJFHSA-N 444.023 4.787 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCN2CCC)CC1 1740842340 VZCNQSSGFZIFIU-NRFANRHFSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1740849519 LROURTMBUCGYOD-OAQYLSRUSA-N 447.583 4.533 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)CC[C@@H]1C)c1ccccc1 1740853516 FLQLWZKGKORYDG-RZUBCFFCSA-N 444.583 4.910 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740866256 YAQSFQLXWUWKTB-VWLOTQADSA-N 437.588 4.726 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CCOC)C1 1740866417 CXLQUCIGDISTIM-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)N(C)C)C1CC1 1740906964 NJYQWVSPCIURGG-INIZCTEOSA-N 425.577 4.918 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCc1nccs1 1740921402 SUBWMGYEXHJJGG-LJQANCHMSA-N 427.549 4.551 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740924504 UTPFXQKABHOXSF-GBXCKJPGSA-N 437.613 4.866 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC(=C)Br 1740935613 RVJMZGPPMQPJCO-UHFFFAOYSA-N 427.346 4.990 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC(C)=C(Br)C1 1740968160 DENVRJKTWLWNSI-UHFFFAOYSA-N 431.378 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(F)CCC2)C1 1740973087 RBCIIVFQWFFIAB-FXAWDEMLSA-N 432.515 4.621 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(n1)CCCC2 1743912382 CQRGBOZRIASKHB-WMZHIEFXSA-N 428.584 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1sccc1C 1748656562 SUQTWGLOHSBSNE-AWEZNQCLSA-N 447.377 4.917 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1sc(C)nc1C 1748772425 VPPPHWHWWIMKGH-UHFFFAOYSA-N 434.594 4.568 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCO[C@@H]1CCCC[C@@H]1C 1748867291 FEMNVDYIMNQIOI-UKILVPOCSA-N 444.623 4.806 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1749106662 HQXBPNJDABHMFV-HUUCEWRRSA-N 428.378 4.741 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749218256 JOUJOWSKKVRWRH-FYYLOGMGSA-N 438.616 4.841 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1749293751 UGMLHUFJZGERRC-GOSISDBHSA-N 436.556 4.899 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2OCCC2(C)C)CC1 1749294016 KMGTZFYRMZGLOL-SFHVURJKSA-N 449.368 4.818 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(=O)OC)CC1 1749391178 NCZDQFHROVXDLW-KRWDZBQOSA-N 446.979 4.817 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](n2cncn2)C1 1749417737 NIIIUYUJQOTZKH-MRXNPFEDSA-N 432.359 4.651 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 1749445741 WYTYOWFYQQJEQI-OAHLLOKOSA-N 426.895 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCC(OC)CC1 1749572884 FSDSNCROZJEILR-UHFFFAOYSA-N 432.572 4.514 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1749574626 ANNYRXKCAOPJRG-RBUKOAKNSA-N 438.469 4.972 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCO1 1749589852 JSVJGPWATSZQJP-YPAWHYETSA-N 442.604 4.594 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1749658564 MCRCJWWCZXHREJ-NRFANRHFSA-N 435.616 4.704 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)C1 1750065942 DDUSHIIGPUXFNA-IAGOWNOFSA-N 449.430 4.968 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccnc1OC1CCCC1 1750468228 DWMBXQSDFJTZSR-VWLOTQADSA-N 436.604 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)OCCc2sccc21 1760116522 QOLYTNGIJKHLGD-HJPURHCSSA-N 441.000 4.530 30 10 IJEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1760140933 DRRWBNYGOQDBEJ-OAQYLSRUSA-N 447.608 4.723 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cc(C(C)(C)C)no1 1760178055 XUIXOHZHKSOFRN-UHFFFAOYSA-N 435.572 4.692 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1C1CC1 1760228181 WZVUUUGIBVPAND-NQIIRXRSSA-N 442.007 4.548 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760326251 VJUOPHRGUDJNKL-MSYCTHLASA-N 442.579 4.850 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H]1CCSC1 1760352510 YWPCSKCDBUJYIR-SJLPKXTDSA-N 432.659 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)C)CC1 1760412154 WBCMPDCBKYUMEZ-UHFFFAOYSA-N 434.588 4.733 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760447638 OQFHUYODODRJDU-CZUORRHYSA-N 446.876 4.965 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1c(F)cccc1Cl 1760449667 QRARHSPRTUTTQU-UHFFFAOYSA-N 429.927 4.670 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(n2ncc3ccccc32)CC1 1760451923 YEYYFFBYOQKLKH-UHFFFAOYSA-N 436.604 4.651 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(OC)CCC(C)CC1 1760457739 FKEZGEPTUBCAPD-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CCC1CCN(CC(F)(F)F)CC1 1760486844 BEANAOXBIGTYHF-UHFFFAOYSA-N 441.567 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCN(CC)C1 1760490972 OVXSGAOCRMPJHT-IBGZPJMESA-N 425.646 4.796 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CCc1sc(C)nc1C 1760496698 CKVMDSLCAOFGIW-UHFFFAOYSA-N 432.597 4.776 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)C[C@@H](C)c2nccs2)cc1 1760530613 WIRJGISESPGFDT-GOSISDBHSA-N 446.580 4.650 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(C(F)(F)F)c1 1761358846 GUEPVAIBGGSQAQ-ZDUSSCGKSA-N 434.853 4.799 30 10 IJEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nc(C)cs1 1763386164 IFLOWYOVROVHHW-APWZRJJASA-N 436.585 4.676 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCC2)C1 1766780083 AWEQPMHPCQWFBE-RTWAWAEBSA-N 439.629 4.744 30 10 IJEE COCCCN(C(=O)CCc1ccccc1OC)[C@H](C#N)c1cccc(Br)c1 1857958551 SAMNOPZQCMWQPF-HXUWFJFHSA-N 445.357 4.520 30 10 IJEE Cc1cc(C(=O)Nc2c(C#N)cnn2-c2ccccc2)c2cc(Br)ccc2n1 1859651222 HEADFGUOSAVHLM-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2)c1 1860093299 XAYDOWMMMOZPAM-UHFFFAOYSA-N 431.517 4.687 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4ccc(F)cc4)cc3)CC2)c1 1860705828 JSPHSISYSNONRU-UHFFFAOYSA-N 428.463 4.936 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862412287 ATHRYUTWECGAJU-QFIPXVFZSA-N 435.426 4.622 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1862443734 PPUPEFPMEYMFKL-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc(Cl)c1O 1862453146 SNBVSDVZZAYEIA-KRWDZBQOSA-N 436.291 4.694 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862477485 YEOBAUUQYMMBJF-QFIPXVFZSA-N 433.529 4.886 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504170 NPIDPMKSMCMXRK-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(C)c2)cc1 1862554412 BWIZIBYUUUWTEE-DEOSSOPVSA-N 426.516 4.707 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862595441 BNALXNMFJFOGMQ-NRFANRHFSA-N 435.501 4.631 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862662991 MUKAQHLQAABJNU-JTHBVZDNSA-N 435.520 4.576 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)c1 1863174088 WOPYIFXBSKQDBF-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)/C=C/c1cccc(Br)c1 1866124714 WBCKLQNBSSLRNW-MDZDMXLPSA-N 425.261 4.512 30 10 IJEE CC(C)(NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1866778378 DZIMNCSARUQWDK-UHFFFAOYSA-N 447.485 4.892 30 10 IJEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CSc1ccc(Cl)cc1 1870285349 RSBYPLRRWGZWRJ-UHFFFAOYSA-N 434.989 4.617 30 10 IJEE C=CCn1cc(OCC(=O)N(c2ccccc2)c2ccccc2)c(=O)cc1CN(CC)CC 1870329454 JHBSBOGUHCNHTL-UHFFFAOYSA-N 445.563 4.620 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1Cc1ccc(F)cc1 1870345662 IFPMLCCXMSHULW-UHFFFAOYSA-N 436.502 4.928 30 10 IJEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870663565 OQTJOCNZHFIKGX-UHFFFAOYSA-N 447.664 4.865 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CNc1ccc(F)cc1 1870823956 LMVRVGCKQULGGV-UHFFFAOYSA-N 449.526 4.674 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccc(CCCC)cc1 1871029433 ZEKGYMGHKOPVAQ-UHFFFAOYSA-N 440.584 4.957 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(Cc1ccccc1F)CO2 1871352615 SXKFPJXHYKOGPY-AQHIEDMUSA-N 445.446 4.831 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)c1 1871380247 DVCJGEXNORZKGH-SXJABBKVSA-N 443.455 4.642 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871457322 AAOCUDHIBNOGDR-NHDPSOOVSA-N 434.879 4.986 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)OCCOc4ccccc4)cc(C)c3C2=O)c1 1871462166 LKAONTLNQXXAJD-IWIPYMOSSA-N 444.483 4.921 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(F)cc2)nc(Nc2ccc(CC)cc2)[nH]1 1871584758 ZCMJKIXIRHHLMG-UHFFFAOYSA-N 432.547 4.572 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872108889 KRFMDDARFZCRTN-ZHRRBRCNSA-N 443.544 4.537 30 10 IJEE CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)n1 1872774649 YEKYNYLJBOVUJR-GOSISDBHSA-N 433.464 4.696 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N(C[C@@H]2CCCN3CCCC[C@H]23)C(C)C)CC1=O 1872991384 CMXBZTPWXMLLAN-KMDXXIMOSA-N 433.681 4.697 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccc(O)c1 1874194219 DPPYVERSYNLDKV-ZVHZXABRSA-N 440.569 4.863 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cn(C)c2ccccc12 1874297096 KLVXIKFVOWDRAW-ZMOGYAJESA-N 446.536 4.819 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccco1 1874314391 QWZSXVOTAYVGPB-MFKUBSTISA-N 436.512 4.979 30 10 IJEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874355458 ZUAWRYFEERVIMZ-WSDLNYQXSA-N 445.932 4.941 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1Cl 1874575118 WPPXFWPPFIBERW-VQHVLOKHSA-N 436.733 4.904 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(F)cc2F)cccc1OC 1874576390 KZOMCGCFCCDRPZ-FMIVXFBMSA-N 431.479 4.897 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1OC 1875098294 BWCDWYKWQCPYAF-CSKARUKUSA-N 442.508 4.959 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 1875145377 JOAXLORDSNMXGF-UKTHLTGXSA-N 433.416 4.727 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1C 1875187299 XTSHMETZKSJVAL-CMDGGOBGSA-N 447.487 4.840 30 10 IJEE C#Cc1ccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1 1894505648 UTGVINWQIDLMIJ-LOSJGSFVSA-N 437.495 4.717 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 1922085751 LEJJOOHPQAOJGT-WIYYLYMNSA-N 430.511 4.973 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1937518461 AFTCCAUVUZOYAJ-KUHUBIRLSA-N 435.487 4.715 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 1950026041 LOYHRWABUMAVIB-WIRVKHDMSA-N 431.508 4.859 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1991908313 BRTHCJWQIIJUFX-JKSUJKDBSA-N 429.508 4.703 30 10 IJEE N#Cc1c(C2CCOCC2)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1Br 2080334986 RISKKKYWSIRWNK-UHFFFAOYSA-N 432.215 4.617 30 10 IJEE CCOP(=O)(OCC)c1c(C(F)(F)F)nn(-c2ccc(F)cc2C(F)(F)F)c1N 2080389800 JNVMATUBPGNWEY-UHFFFAOYSA-N 449.263 4.523 30 10 IJEE CCCN[C@@H](CC#CC1CC1)c1cc(I)ccc1Br 2090187096 BTDUBXLXDVLFML-INIZCTEOSA-N 432.143 4.898 30 10 IJEE C[C@@H]1C[C@H](Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)C1 2105990954 DMUQRKQNYMJILG-TZMCWYRMSA-N 426.330 4.907 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCCC 2159126195 SCRKCVICBNRNAL-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)CN(Cc1ccc(Br)cc1C#N)C1CN(C(=O)OC(C)(C)C)C1 2174565544 OCRXDBFMUAXXDL-UHFFFAOYSA-N 436.394 4.788 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(Br)cc1C#N 2174569227 XHVFUCKFSCVWBZ-RBUKOAKNSA-N 434.378 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CN(c2cc(Br)ccc2C#N)C2CC2)CC1 2174810232 JUULAZNSOWDEIP-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190477305 DNWZIVMGFQKERE-CONSUNNSSA-N 447.428 4.802 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CCNc2cc(Br)cc(F)c2C#N)C1 2205222043 ITHOBOVANMKAKU-RNODOKPDSA-N 438.341 4.909 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2225599786 IPWWGAPEMLGCAG-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CC(C)[C@@](NC(=O)OC(C)(C)C)([C@H](N)C#Cc1ccccc1Br)C(F)(F)F 2235717773 BVGASDKPDFJEHD-CRAIPNDOSA-N 449.311 4.610 30 10 IJEE C#CC[C@@H](C)C[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248473742 KXRQYYHMXIUXPO-GGAORHGYSA-N 428.617 4.858 30 10 IJEE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2255823581 WGICMHWJGSACPG-UHFFFAOYSA-N 430.354 4.618 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2262207221 RMDWZRLGBBDPHY-RUZDIDTESA-N 445.556 4.553 30 10 IJEE C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267115884 POXIYZPBIYEBDE-YJMBLLCNSA-N 440.437 4.664 30 10 IJEE C=C(CS(=O)(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)B1OC(C)(C)C(C)(C)O1 2267474231 RBQYMFXVTCJEJI-UHFFFAOYSA-N 426.558 4.576 30 10 IJEE C=CCCC1(C(=O)Cc2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2273780242 UMDGTNBMWLTWHZ-UHFFFAOYSA-N 426.326 4.903 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2ccc(Br)cc2)cs1 2278735012 KNHFKAARKKIGTB-GFCCVEGCSA-N 435.343 4.726 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccc(SC)cc2)C1=O 2294017368 FEDLEKBKSTYWNV-UHFFFAOYSA-N 427.547 4.961 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(O)C#Cc1cccc(Br)c1 2296220024 UIBQLDRMFSKPAV-VFXZUJCTSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)C#Cc3ccc(Br)cc3)CCC[C@H]12 2296221945 NPILNHLZXZRVJA-AVRDEDQJSA-N 432.358 4.940 30 10 IJEE COc1cccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 2296926508 PXMCXTWXNGPDTL-FQEVSTJZSA-N 446.484 4.833 30 10 IJEE CC1(C)C(=S)N(c2ccc(C#N)cc2)C(=NC2CCCCC2)[C@@H]1N1CCSCC1 2297382581 FLAGTMGGFZGMQU-FQEVSTJZSA-N 426.655 4.880 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)c1 2314430190 YLFLAOPTRVKJTG-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCn1cc(C=C2Oc3c(ccc4c3CN(C[C@@H]3CCCO3)CO4)C2=O)c2ccccc21 2321961805 WJWQMCRJLNTNPH-SFHVURJKSA-N 430.504 4.608 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(CCOc1ccccc1)CO2 2322339331 OVCMJCJTFPNWDJ-UHFFFAOYSA-N 431.463 4.981 30 10 IJEE COc1c(Cl)cc(C(=O)C=Cc2c(OCC(N)=O)ccc3ccccc23)cc1Cl 2322969437 MTLBBXQXVDRLOM-UHFFFAOYSA-N 430.287 4.915 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCCCO)cc1Cl 2322974922 RHUXPOKOKNAZCM-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE O=C(C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1)c1cccc([N+](=O)[O-])c1 2323046665 DIPXWPMCLUZFBQ-UHFFFAOYSA-N 427.416 4.719 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCC(=O)Nc1nccs1 2323053070 PPPLWZIHMHCLDI-UHFFFAOYSA-N 448.544 4.944 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OCCO 2323434186 DAUNWTFFSINXGS-UHFFFAOYSA-N 431.326 4.604 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(Cc4ccccc4)CC3)C2=O)cc1 2324191886 GSQVKGWVRJJAEF-UHFFFAOYSA-N 440.543 4.635 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)cc1 2325669719 TYPUXUCFHHLIKR-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2325715699 CPXFAJHWOUVLOP-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1OC 2326287460 RTPGABCUYARUCQ-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CCc1ccc(OCCCc2nnc(SCCCO)n2N=Cc2ccccc2C)cc1 2326342533 KMGPIWJZVJHZED-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(OC)c(O)c1 2327026474 CAVYOCMTVFHODQ-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2328075453 MHBDKJWSDQCQQR-UHFFFAOYSA-N 428.945 4.799 30 10 IJEE Cc1ccsc1C=Nn1c(CCc2cccs2)nnc1SCC(=O)OCC(C)C 2329687473 ZTQWOVBSMBEGNK-UHFFFAOYSA-N 448.639 4.668 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCCc1ccccc1 2330493635 MYEAZXAAYIQRCT-UHFFFAOYSA-N 443.532 4.994 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)cc1 2330993273 PGCBVEZPMITCQX-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)c(OC)c1 2331108611 BKGJIELDKWFLBU-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE Cc1ccsc1C=Nn1c(SCc2nc(O)c3ccccc3n2)nnc1-c1ccco1 2331222394 PUPCUGWWEDARBV-UHFFFAOYSA-N 448.533 4.731 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1c[nH]c2ccccc12 2331659231 SBABKHHOSDDHMX-UHFFFAOYSA-N 443.536 4.535 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1N=Cc1c[nH]c2ccccc12 2331706855 KQCLUQYISGIOIP-UHFFFAOYSA-N 426.590 4.506 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(C(F)(F)F)cc1 2331707452 AKZFKTDCQGOUTC-UHFFFAOYSA-N 428.480 4.594 30 10 IJEE CCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC 2331885503 YJLPVFZFFZTVCF-UHFFFAOYSA-N 434.872 4.586 30 10 IJEE N#CCc1ccc(COc2cc(Br)cc(I)c2)cc1 2338897112 NKPAOYXOQXUSHS-UHFFFAOYSA-N 428.067 4.699 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339544313 DZEVRGHINRLKIA-IEBWSBKVSA-N 443.397 4.641 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339595162 GFHMRRVITSUITJ-ARQVRZPZSA-N 447.360 4.534 30 10 IJEE CC1(C)OB(c2ccc(COCc3cscc3F)cc2Br)OC1(C)C 2349835988 OEBCKCLHAQSESQ-UHFFFAOYSA-N 427.144 4.666 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2360196347 OWHOVAGIIQTECW-UYZIEWPDSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@H](O)C#Cc1ccccc1Br 2363476621 LYYFGSUYMFTBIX-RTBURBONSA-N 436.390 4.977 30 10 IJEE CC(C)(C#N)c1ccnc(Nc2ccc(Br)c(I)c2)c1 2363654311 KRTUBNZCIAMWMQ-UHFFFAOYSA-N 442.098 4.993 30 10 IJEE C=CC1(C[C@H](NCC)[C@H](O)c2sc(Cl)cc2I)CCC1 2366667525 MDIULCXUAVBWLY-AAEUAGOBSA-N 425.763 4.764 30 10 IJEE Cc1cc(CNC[C@@]2(C)CN(Cc3ccccc3)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369617156 YHLQPSICIKJQFY-DFHRPNOPSA-N 448.460 4.542 30 10 IJEE Cc1c(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)ccc(Br)c1Cl 2371992193 LJQUXOVCXSUJPL-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE C#CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c2ccccc21 2988516 PHTHVNZZOLLDPV-XKZIYDEJSA-N 443.528 4.566 30 10 IJEE C[C@@H](OC(=O)c1ccccc1OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 22665318 DIWAUTUWJNJIBF-MRXNPFEDSA-N 446.528 4.871 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1 35272757 KCFANCWAXMNLOU-UPVQGACJSA-N 449.547 4.966 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(C)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59310636 QWSSJCOUTFSPMS-CVKSISIWSA-N 438.601 4.848 30 10 IJEE C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 102539655 NQRSFWNHGCQANF-LKNYRVCGSA-N 443.474 4.771 30 10 IJEE COc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(C)cc3C)C(=O)c3ccccc32)cc1 103746247 SQLGCWLLNKLSNL-SLEBQGDGSA-N 446.528 4.682 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2Cc2cccs2)cc1 169921136 VJPDTHXDQDWNDY-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1Br 169938311 WYYGCJMNMGPPEB-IBGZPJMESA-N 445.382 4.914 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)c1 170021705 GONLKKYLHUOFSK-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 170039019 HUEAFJBHOKEIJQ-DEOSSOPVSA-N 431.488 4.776 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170041007 LTHVHNQXVHXXRE-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c1 170049933 RDVLHIPLEPEHSK-HSZRJFAPSA-N 443.455 4.597 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cccc(OC)c1 170120307 MKOUEVHWRGTGAI-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(N(C)C)cc1 170129119 QQBTWMPIGLDVRA-OAQYLSRUSA-N 442.943 4.793 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)ccc1OC(C)C 170162195 FXRHUDCQQPKYFY-LAUBAEHRSA-N 441.549 4.601 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)cc1C 170163016 KKADXDOSZDIIPN-OAQYLSRUSA-N 434.517 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccn1)c1cc2ccccc2o1 170176573 WWRWHPLZIBIOMX-NRFANRHFSA-N 432.382 4.889 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1C(C)C 170188142 YQDWMNRQCNCIAI-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)c1 170188781 WFBJVSFLVALAHD-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccc(OCC)c1 170218091 NKZDFJQEFFFFRB-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170256969 LCCAKIUIPJRERN-JOCHJYFZSA-N 447.512 4.557 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccco2)c1 170278901 ODRADCAMHUMSPM-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccco2)cc1C 170297504 FREFOCQLXACSGX-OAQYLSRUSA-N 443.459 4.646 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2cccnc2)o1 170307525 BKSACBHGYBZDRL-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OC(C)=O)c1 170321030 IBTJWOBLZPLLEV-HXUWFJFHSA-N 427.884 4.644 30 10 IJEE N#C[C@H](C(=O)c1ccc(F)cc1I)c1ccccc1Br 236209495 XFLWIEQSMWLJOZ-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]2CCCC[C@H]21 250394766 GQYGTAFSWQBURW-LPTQZCDUSA-N 437.927 4.632 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccc(F)cc2)/C1=C(O)\C=C/c1ccccc1 254740352 QSQYGJQYAYILDM-OXTHERODSA-N 443.430 4.706 30 10 IJEE CC1(C)OB(c2ccc(CNC(=O)c3ccccc3OCc3ccccc3)s2)OC1(C)C 405023614 IVXCTDHKFLBFQY-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H]2C 439223458 IEGKPKXUVDIWEH-SFHVURJKSA-N 444.539 4.655 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)c1cc(O)nc2ccc(Br)cc12 468893025 KAXJLQROQXFLRL-UHFFFAOYSA-N 425.286 4.649 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 504090876 JNGVLTWMWBZJEU-QHCPKHFHSA-N 440.450 4.708 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 509012936 SDZHYFUMDMQCCU-UHFFFAOYSA-N 443.526 4.861 30 10 IJEE C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 526070459 PWBPDDXWRDWDAG-UHFFFAOYSA-N 447.276 4.683 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)ccc1O 526706937 CIJCDNWSZLXQTN-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1ccc(CN(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)cc1 586167976 FJNSEFNWJLABJK-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE C=CCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1 586210466 MEOQEMPCKISYMQ-UHFFFAOYSA-N 436.249 4.729 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 731026257 DULMOFDDGPAEAZ-UHFFFAOYSA-N 427.618 4.679 30 10 IJEE C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(=O)N(CCC#N)c1ccccc1 741373982 XOUSIPKHZNUROQ-KFKAGJAMSA-N 446.425 4.567 30 10 IJEE CCCc1cc[n+](/C(C(=S)Nc2ccc3c(c2)OCO3)=C(/O)c2ccc(C#N)cc2)cc1 762437748 CHXKZZHZBUEEES-UHFFFAOYSA-O 444.536 4.850 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=S)NC[C@@H]2CCCO2)=C(/O)c2ccc(C#N)cc2)cc1 762439348 RLXIQEYJRIMMGR-QFIPXVFZSA-O 436.601 4.729 30 10 IJEE CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2ccnc(C#N)c2)cs1 795967420 WMDCMLAUTSOVJA-UHFFFAOYSA-N 447.303 4.758 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)c1nc(C)c(C(=O)OCC)s1 1124450123 BRAJNCDKQSRHLN-UHFFFAOYSA-N 436.508 4.525 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC=CCC2)ccc1Cl 1125455307 HOVAAYHXWGJKBR-SFHVURJKSA-N 444.984 4.807 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3s2)[C@@H](C#N)C1 1126947875 GBOSGWUTLGLSLY-AWEZNQCLSA-N 439.459 4.505 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1OC 1127430808 GHTSJJQGLUUMMB-JXOZOUPFSA-N 431.536 4.644 30 10 IJEE C=CCN(C(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1)C1CC1 1127604466 VAIAQMHLPWGSCB-GJZUVCINSA-N 448.563 4.674 30 10 IJEE C=CCC1(C(=O)Nc2cc(I)cc(C(=O)OC)c2)CCCCC1 1127696669 OLULQVWJNBPJLQ-UHFFFAOYSA-N 427.282 4.543 30 10 IJEE C#CC[C@]1(C(=O)N2CC3(CCCC3)c3cccc(F)c32)CCCN1C(=O)OC(C)(C)C 1127945358 CTGIYIVGXBVKHV-RUZDIDTESA-N 426.532 4.777 30 10 IJEE C[C@H](CNC(=O)COc1cccc(Br)c1C#N)c1ccc(C(F)(F)F)cc1 1128055384 CYJMEPUEBBIFGY-GFCCVEGCSA-N 441.247 4.638 30 10 IJEE CC(C)(C)C(=O)NC1CCC(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 1128923689 HCGQHRKLHQDBRF-UHFFFAOYSA-N 449.599 4.701 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@H]1CC(c2cccnc2)=NO1 1130125735 BJTQOVZFNIGVHF-CQSZACIVSA-N 435.299 4.503 30 10 IJEE Cc1csc(=O)n1CCC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1130331875 DUXMPMFVNCTLNT-UHFFFAOYSA-N 430.345 4.536 30 10 IJEE COc1cccc([S@@](=O)CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 1141625042 BRQLUSOPNUYDSF-DFXYEROKSA-N 438.936 4.750 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(Br)c(C)c1N 1141989194 NTNDMDDLHJSBNF-UHFFFAOYSA-N 440.135 4.919 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2cccnc2)nc2ccccn12 1143870358 WHWIDTSRTWOFEL-SFHVURJKSA-N 435.528 4.584 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2OC)cc1 1166683479 MBIWVZPOECEJOR-HXUWFJFHSA-N 428.326 4.837 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC(C)(c3ccc(Br)cc3)CC2)cc1 1169655861 KFKIUJWSQQPDKY-UHFFFAOYSA-N 425.370 4.813 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)N(CC=C)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 1176068951 FXHADHDSFZPGHI-OAHLLOKOSA-N 434.392 4.981 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCCCC3 1187972587 UGQDFGUZIIEHRC-OAHLLOKOSA-N 445.654 4.842 30 10 IJEE C#CC1(O)CCN(C(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(C)c2)CC1 1225532201 NMIIMPVIHVKXEQ-UHFFFAOYSA-N 433.335 4.764 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CCCSC)nnc1C1(c2ccccc2)CCC1 1286566202 MPQGBRLLVQVEIS-RBBKRZOGSA-N 440.657 4.919 30 10 IJEE C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1286585064 VAUFMEYCIQXNNJ-DLBZAZTESA-N 441.567 4.839 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2cccc(C)n2)CC1 1286653863 CPOHRXMDEUKVNC-UHFFFAOYSA-N 439.510 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1c(C)noc1C 1286670344 GXRWTWXQNNGEQP-UHFFFAOYSA-N 445.571 4.974 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@@H](C)C(=O)NC 1286683907 BMYNISYXCVUAFK-OAHLLOKOSA-N 446.020 4.988 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1OCCC1(C)C 1286739201 SOQUNYPPYQNBRZ-JOCHJYFZSA-N 436.556 4.863 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCC[C@H]1CCCCO1 1286742625 RDXQSZMYOSHNOK-RPWUZVMVSA-N 449.599 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCc1ncc(CC)s1 1286753380 BNQUSFOSLWWQHO-UHFFFAOYSA-N 430.581 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(F)c(F)c1F 1286756398 VYXWBFSWSDRXFA-UHFFFAOYSA-N 433.865 4.832 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](OC)[C@H](C)CC 1292602302 BHQYEPREZDAXBG-OPJGWUQDSA-N 439.604 4.611 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)CN(C(=O)OC(C)(C)C)C1 1293012127 RVTMHERVZRRLBU-UHFFFAOYSA-N 443.569 4.879 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](OC)C(F)(F)F 1300281411 CMKHBLMVYJCKBN-RDTXWAMCSA-N 440.535 4.701 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(C)C1CCCCC1 1300861194 BMRYYDFSSVDHBA-UHFFFAOYSA-N 435.366 4.543 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1301041069 JQKWUVSTCFEZQV-SJORKVTESA-N 436.025 4.889 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2Cl)C1 1301327926 LYNRJQCWFOTMKI-INIZCTEOSA-N 448.972 4.578 30 10 IJEE C=CCCCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1306902041 DOQWUHHTTSTVEZ-UHFFFAOYSA-N 436.961 4.578 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C(=O)OC)c(Cl)c1 1307312256 NGQLQCJTIUVOJS-UHFFFAOYSA-N 429.929 4.775 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC2(CCCC2)c2cc(Br)ccc21 1309295267 AAROMEFRSWQJDU-UHFFFAOYSA-N 449.345 4.789 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(OC)cc1OC)c1ccc2c(c1)OCO2 1347910228 QSJVUGGQYDQCLH-UHFFFAOYSA-N 447.487 4.844 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1352043189 IWSGGRFXZWQTNH-OAQYLSRUSA-N 431.363 4.855 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cc1sc(SCC(C)C)nc1C 1352522115 QGUUVKQGFHGLOY-UHFFFAOYSA-N 449.594 4.871 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCn2ccnc21 1358896995 QLQQWFNTOFVHFJ-SFTDATJTSA-N 446.599 4.521 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1 1358905163 UBXBNKAVNCTOCO-QGZVFWFLSA-N 427.936 4.808 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cc(COC(C)(C)C)on1 1358943041 SPPMTRXCYOHWIQ-UHFFFAOYSA-N 448.354 4.673 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@@H]1C 1358972415 DEOUUCMCLLRWEC-QFBILLFUSA-N 425.374 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CCCC1 1358998200 VIFIVDIGPAFCAA-UHFFFAOYSA-N 431.367 4.817 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnccc1OC 1359004116 KERFVKTZNYIBNW-UHFFFAOYSA-N 447.539 4.724 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(CC(C)C)CC1 1359020500 FQEHRYVOBPTSDQ-UHFFFAOYSA-N 445.405 4.620 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1359049333 MUPWDSBWLVCPKO-OALUTQOASA-N 430.593 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCSC1(C)C 1359109934 UTQQIIGRYFPUAM-GOSISDBHSA-N 430.618 4.896 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1359179975 MZJWPVOSACGQHO-URXFXBBRSA-N 426.580 4.862 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(CC)s2)CC1 1359181652 BVWHSXNDMZWVKU-UHFFFAOYSA-N 438.597 4.940 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C)C1 1359191511 CGEQKVAHJQMPTD-LJQANCHMSA-N 426.605 4.982 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(C)C)C1)c1ccccc1 1359194323 SZPHVBFGYIRMPL-ISKFKSNPSA-N 431.584 4.870 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359338811 IQKFFVGJIJNKPN-BEFAXECRSA-N 436.984 4.662 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CCCS2)c1 1361151853 FUTWEXWPJYNWAQ-DEOSSOPVSA-N 439.629 4.890 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCC[C@H]3c3ccccc3)CC2=O)cc1Cl 1436262985 DPWUKBGUJQHTGN-SJBKTWHCSA-N 435.955 4.655 30 10 IJEE CN(C(=O)c1nn(-c2ccccc2F)cc1Br)c1ccc(C#N)c(Cl)c1 1438270946 DQMFMQSXWFLUPO-UHFFFAOYSA-N 433.668 4.576 30 10 IJEE O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)C1(Cc2ccc(F)cc2)CC1 1444833231 HPKVLGBNAFRKQU-LJQANCHMSA-N 449.366 4.734 30 10 IJEE C=CCN(C(=O)/C=C\c1csc(C(F)(F)F)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1459000216 NQVDSVZEXXWXJY-LENZSSGSSA-N 437.483 4.969 30 10 IJEE C#CC[C@@]1(C(=O)NCC(C)(C)c2cccc(Cl)c2F)CCCN1C(=O)OC(C)(C)C 1459353480 NQXLBIWKHTZJKF-QHCPKHFHSA-N 436.955 4.666 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c(OC)c1 1459730671 UVWOFSGDZGCTMP-KRWDZBQOSA-N 435.351 4.504 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 1465381039 CVMIPMFEIXLNGM-ORAYPTAESA-N 432.318 4.617 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1ccccc1OCCC 1465710906 SIVOBLWKIJEZKE-RTWAWAEBSA-N 430.589 4.986 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 1467699386 HRCVQNDQFSRKMD-QGZVFWFLSA-N 443.803 4.660 30 10 IJEE C=C[C@H](C)ONC(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1469733378 QWCNZXLORGCHGK-KRWDZBQOSA-N 436.552 4.952 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1469857836 YRISOKDUISUEEF-YSGRDPCXSA-N 437.531 4.917 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1471010678 FWRJIAIFCMBUNQ-XUTJKUGGSA-N 447.624 4.635 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)COc2c(F)cccc2F)cc1OC 1474204519 GCEUBRNXKUYAPA-ZDUSSCGKSA-N 442.300 4.858 30 10 IJEE COc1ccc2c(c1)CN(S(=O)(=O)CC1(C#N)CCCCC1)[C@H](C1CCCCC1)C2 1475077029 HAYNCQRDMCRASS-QHCPKHFHSA-N 430.614 4.806 30 10 IJEE C#CCN(C(=O)Nc1scc(C)c1C#N)[C@H]1CCOc2ccc(Br)cc21 1476558836 KDLPTEBDZVAHIO-INIZCTEOSA-N 430.327 4.682 30 10 IJEE CCC(C)(C)C1CCC(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1477280962 BIYJLNWVMDULOF-UHFFFAOYSA-N 433.600 4.933 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)CC[C@H]1C 1493919366 BZDXTDSZPRTJEX-DBXWQHBBSA-N 434.613 4.663 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](C)C2)cs1 1503921975 GLIURSSATMMZHF-IXDOHACOSA-N 436.585 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1507540915 GSNVJOUAPTUEQM-UWDQQESISA-N 447.652 4.666 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1507566259 ILJZWKYELQWTOD-UHFFFAOYSA-N 442.554 4.581 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCCC2(CCOCC2)C1 1507579145 MEXCGAYIOYAVST-UHFFFAOYSA-N 443.389 4.518 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)N(CC)CC 1507641189 ALMWLINHOLQXIR-QGZVFWFLSA-N 440.016 4.616 30 10 IJEE C#CCSCCn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1ccccn1 1507758732 SBTQOOJJQDWGOY-OXQOHEQNSA-N 441.988 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC[C@@H](C)N1CCCCC1 1507761324 LYIXTJLNUYMJDK-NTKDMRAZSA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCS1 1507764319 NESJFEXRWSBBNG-XMSQKQJNSA-N 432.540 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1C 1507803560 HSLRQUVZHKLYPY-CZSZKKDXSA-N 431.584 4.751 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cccs1 1507814781 DUTQLIHOBVGBEF-UHFFFAOYSA-N 448.596 4.577 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1507873663 TUBUXBQXHZFIBS-MRXNPFEDSA-N 447.967 4.898 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1507942847 TZZHDSGQTANODB-XMMPIXPASA-N 447.631 4.601 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1508038858 ULNVWFLPJLHGJL-IFMALSPDSA-N 426.605 4.734 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1508039111 WKRXQYNVEFCKJD-HZPDHXFCSA-N 443.901 4.926 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1508166723 CXRFWUDVTBXONY-CVEARBPZSA-N 439.050 4.760 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2sccc2C)cc1C 1510934305 HETLMLCWSNEZLD-XMMPIXPASA-N 448.596 4.696 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)cc1 1517796029 CZJIUKAFEWWBEG-NRFANRHFSA-N 433.895 4.659 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 1521679096 JSXMTEBIKMFJNV-LJQANCHMSA-N 442.737 4.801 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 1529655676 YUDRWYPJAWKJQW-UHFFFAOYSA-N 435.520 4.918 30 10 IJEE N#Cc1ccc(N(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C2CCC2)cc1 1529862559 HHIILVMTJKSBEA-UHFFFAOYSA-N 427.957 4.711 30 10 IJEE N#Cc1cc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)ccc1Br 1534574969 AHLQRACBNCSIEY-UHFFFAOYSA-N 431.677 4.595 30 10 IJEE O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC(c2cccc(F)c2)=NO1 1535020132 GSXUXOKHYOUYCN-CVEARBPZSA-N 434.311 4.757 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)OCc2c(F)cc(C(=O)OC)cc2F)s1 1538149882 DEOKBXMRPHYYIS-UHFFFAOYSA-N 447.912 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1539035884 VDWNFEPJQFVDLJ-TYBLODHISA-N 439.673 4.847 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 1539751560 PJGFBWKLUYKREM-LJQANCHMSA-N 449.393 4.511 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CCc2ccc(OCC)cc2)s1 1539782343 LKZWDROLBOCLQD-UHFFFAOYSA-N 425.019 4.938 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1539835604 FCRQTWMUYLNSMK-INIZCTEOSA-N 448.514 4.563 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)[C@H](C)CC)CC1 1539875439 ROJDPAKXIXQYCZ-CJAUYULYSA-N 434.588 4.535 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1539881598 CAPQEVWCTCXTNF-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1539890261 LHSIPRHWDHNRDW-QFIPXVFZSA-N 425.621 4.581 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1539906346 MNHNFKHQRGTHDS-UHFFFAOYSA-N 446.599 4.580 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1539929372 UQMYMXJNJDZAKW-ROUUACIJSA-N 430.618 4.798 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1540006646 FUJTXXYSJASYKB-QAPCUYQASA-N 426.417 4.620 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1 1540012769 BLBIREXCTGJZDB-HXUWFJFHSA-N 426.605 4.984 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(Br)c1 1540013486 QJAPSENJGWEAHV-UHFFFAOYSA-N 443.393 4.505 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1540028917 USJTWXADPINASP-NRFANRHFSA-N 437.975 4.889 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC1CCN(CCC)CC1 1540127144 RCBXHUUSARIOMI-UHFFFAOYSA-N 444.627 4.963 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2CN(C)C(C)C)C1 1540887158 QWZLGYDMIMABKW-HSZRJFAPSA-N 449.599 4.516 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@H]1C 1540909980 TXYZRQKHRDUJHW-WOJBJXKFSA-N 444.645 4.958 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccccc1OC 1540918363 POLJQBWINPYABT-NRFANRHFSA-N 435.597 4.533 30 10 IJEE Cc1cc(-n2cc(COC(=O)c3cccc(COc4cccc(C#N)c4)c3)nn2)ccc1F 1542555305 AGVBIKUQSBVMJQ-UHFFFAOYSA-N 442.450 4.523 30 10 IJEE COc1ccccc1[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC#N)OC(C)C 1555036331 CNPQONLXFOOWII-CVDCTZTESA-N 448.571 4.562 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H]1CCOc2ccc(Br)cc21 1560129804 FOJBTYNMHHIBIS-KDOFPFPSSA-N 435.387 4.527 30 10 IJEE CC(C)Sc1ccc([C@H](C)NS(=O)(=O)c2cc(Br)ccc2C#N)cc1 1561239161 DTNPIIUDDRBATO-ZDUSSCGKSA-N 439.400 4.861 30 10 IJEE C=CCN(C(=O)OCc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1561470810 BBUSGAZEJFEPKZ-FQEVSTJZSA-N 446.341 4.748 30 10 IJEE C#CCN(C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CCCc2ccccc21 1562344694 XHSRTURXBYXFFB-LADGPHEKSA-N 446.551 4.532 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1 1565767407 HKCSINIKDUKITA-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE C=CCC[C@H](NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)c1ccc(C(F)(F)F)cc1 1566675837 LZKOKIYPDVDRPU-REWPJTCUSA-N 430.470 4.677 30 10 IJEE C=C[C@H](C(=O)N1CC[C@H](Cc2cccc(I)c2)C1)c1ccccc1 1569420564 UCZQATNVYPQPBV-XLIONFOSSA-N 431.317 4.652 30 10 IJEE C#CCCOc1ccc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1 1586894508 OVQMJKNZWNUEOK-FQEVSTJZSA-N 430.367 4.858 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@H](c3cccc(Cl)c3)OCC2(C)C)c(OC)c1 1587438135 LILMGZJZQTYVHO-JOCHJYFZSA-N 429.944 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@@H]1C 1587563114 XSXTXUBSLYQMCA-UFYCRDLUSA-N 444.023 4.794 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(CC#N)CC1 1587719258 XFYHFKFJAQQJKM-UHFFFAOYSA-N 432.391 4.703 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C1CCC1 1587856778 RHOJTIXTLWUEPX-RTWAWAEBSA-N 441.620 4.575 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 1589434885 XXELQDDHESXSPO-UHFFFAOYSA-N 442.188 4.871 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1589580607 OKEHOGWFPDTDMA-PSWRPDDJSA-N 442.604 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCn1cc(Cl)cn1 1589625295 ANRWNOFQRAWMSY-UHFFFAOYSA-N 449.784 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1nc(C(C)(C)C)cs1 1589687912 SVWXLJCTKHLDMS-UHFFFAOYSA-N 441.649 4.539 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1593605210 LDAULQQNNPOZLH-KRWDZBQOSA-N 425.945 4.686 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCSCC(F)(F)F)CC1 1594102706 XWOIEKPEBCOFEB-UHFFFAOYSA-N 432.462 4.599 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1594246990 CXZCSRJLMMUQNN-OAQYLSRUSA-N 435.547 4.663 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1594431145 XWCYRBLSBJDNLG-ROUUACIJSA-N 428.552 4.602 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1594497605 JYQNTOZFZNSICQ-XZOQPEGZSA-N 438.616 4.960 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 1594545574 UPTHBHROOUWDFR-OFNKIYASSA-N 435.616 4.599 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(Cl)s1 1595219768 XPFSGAZXXJBSIZ-SFHVURJKSA-N 428.945 4.732 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1cccnc1Oc1cccc(F)c1 1595266389 FFFHUBRYMXIXFB-UHFFFAOYSA-N 439.535 4.589 30 10 IJEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1607686196 AUVAYAIRGQOTOE-AZUAARDMSA-N 429.515 4.503 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2(c3ccccc3C)CCCC2)n1 1611072526 AGTUONFESQUEFG-UHFFFAOYSA-N 439.610 4.559 30 10 IJEE Cc1cc2c3c(c1)/C(=N/c1ccc(Cl)cc1)C(=O)N3C(C)(C)C=C2CN1CCOCC1 1615168292 LDSUUBANMUGRCF-QYQHSDTDSA-N 435.955 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 1618423240 FYLJETPVZRDRSB-XMMPIXPASA-N 437.565 4.839 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 1623432092 CZDYTSHBOSQCRM-INIZCTEOSA-N 444.881 4.771 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 1627707973 BFOKOIBEDARFDK-IRXDYDNUSA-N 445.412 4.992 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 1628527480 DEJGECBVPJCDBR-RTBURBONSA-N 440.569 4.721 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)CC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1636253742 ALKWWIAPWKQMGD-WFASDCNBSA-N 433.268 4.506 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1636558193 WSGJTGUIVCBYIU-RTBURBONSA-N 433.980 4.739 30 10 IJEE C=C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1)c1ccccc1 1636877615 NVIYKCJATJCFJP-XZOQPEGZSA-N 436.552 4.785 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)C(=O)OC 1638401660 SWGAWDBWANNPAF-LJQANCHMSA-N 439.899 4.685 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc4cc(Cl)c(Cl)cc4n3C)n[nH]2)c1C 1638791675 XEZWKRQTCRWIKN-UHFFFAOYSA-N 444.326 4.522 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C1CC1)[C@@H](C)C#N 1640027930 ZRFMJGAZRIDTCK-AVRWGWEMSA-N 443.547 4.763 30 10 IJEE Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCC(Oc4cccc(C#N)c4)CC3)n2)cc1 1641731070 FGJOWCUWAKMFMF-GOSISDBHSA-N 446.576 4.861 30 10 IJEE C#CCN(Cc1cc(Br)ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1644505094 ZHMVRMNWKYAZCZ-UHFFFAOYSA-N 441.797 4.937 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(C(=O)OC)ccc1F 1652469373 MRZUVKRXQRXFIZ-UHFFFAOYSA-N 447.919 4.915 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(Cc2cccc(F)c2F)CC1 1653869082 HOQPRSCXGWKAMT-GOSISDBHSA-N 441.522 4.563 30 10 IJEE CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1cc(Br)cc(C#N)c1 1655189095 MSNVRZOVDKIXCA-UHFFFAOYSA-N 449.109 4.598 30 10 IJEE C=CCc1cc(CNCc2ccccc2CN(C)C(=O)OC(C)(C)C)cc(OC)c1O 1656568997 GIFLOWHZCWVKDV-UHFFFAOYSA-N 426.557 4.786 30 10 IJEE C=CCOc1ccc(CN[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1OC 1656790302 KFJUEOXFNIAJRW-INIZCTEOSA-N 441.881 4.696 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 1658023779 OPFFZWIWEDGYBS-AZUAARDMSA-N 441.645 4.697 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCO[C@H](c3ccc(OC)c(OC)c3)C2)cc1OC 1660233051 YLOCDYHIEFGPHU-QFIPXVFZSA-N 433.932 4.504 30 10 IJEE Cn1cc(CNCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)c(-c2ccc(C#N)cc2)n1 1665576383 GKLPHQBPHWBWFG-UHFFFAOYSA-N 435.503 4.735 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 1667785691 GUFXMGDSYQQHCY-UHFFFAOYSA-N 430.549 4.504 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1671424694 FDGRMMQSHQFFMN-AHWVRZQESA-N 430.596 4.782 30 10 IJEE CC[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCN1Cc1ccccc1 1675688223 GEVLDZKTENNYCV-FQEVSTJZSA-N 448.958 4.526 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC 1676479816 GFCBXVAEGCTFBB-RUZDIDTESA-N 446.503 4.636 30 10 IJEE C#C[C@@H](NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)c1ccc(Br)cc1 1679183651 GUPZQCAEERNGMZ-OXJNMPFZSA-N 428.374 4.552 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1)c1ccccc1 1680804171 JIPLXUWXKUGLQU-CVDCTZTESA-N 439.987 4.832 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@H](c2ccccc2)C1 1681580588 HDAITHPWBZDQOK-BQUWKETFSA-N 432.568 4.915 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1683106399 GHLIDYUPRJBNLG-QHCPKHFHSA-N 437.584 4.910 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1)c1ccc(Cl)cc1F 1683688760 HDDKMVBJUKHERV-QHCPKHFHSA-N 427.951 4.707 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCN1CCC[C@@H](C)C1 1690008157 XPWJYJNWMGBPIJ-HSZRJFAPSA-N 445.655 4.828 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1ccc(OC(C)C)nc1 1690090036 TYRPTOZKASPOIS-UHFFFAOYSA-N 433.531 4.555 30 10 IJEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC(C)C)C1CCCC1 1690174518 DVIFKBYLWHBMHZ-QFIPXVFZSA-N 440.613 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCSC1(C)C 1690257528 MGFVSEAILDFJRP-CQSZACIVSA-N 438.439 4.970 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H](C)c1nc(-c2ccccc2)no1 1690261492 OMKSGGKRIYFQNK-SFHVURJKSA-N 431.544 4.540 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1690308236 GZJLCTUMAFXQMV-KRWDZBQOSA-N 429.515 4.511 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1690363970 GHMCEEJALOTYIC-WIYYLYMNSA-N 439.535 4.610 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCC=CO2)CC1 1690398707 FDJPTCLBAMGRIO-WMZHIEFXSA-N 438.572 4.912 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1690465531 DSSBTWJFXOXJSI-XMMPIXPASA-N 436.648 4.569 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690465752 LLTDJTQXXJOGAN-UHFFFAOYSA-N 444.023 4.620 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1Cc2ccc(Br)cc2C1 1690465760 LPRWFYVMNWHHLI-UHFFFAOYSA-N 438.373 4.903 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CCNc1nccc(C(F)(F)F)n1 1690563609 XPTBCASPJAOIMS-UHFFFAOYSA-N 445.493 4.515 30 10 IJEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CCSC)CCOCC1 1694477185 GDHSQLCFMUAQAO-SFHVURJKSA-N 427.618 4.601 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1CC(F)(F)C1 1705500681 RTZFCUBUDQKFFF-MRXNPFEDSA-N 436.934 4.755 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cc(C)on1 1705511699 CSWRWCQEXRTZDP-UHFFFAOYSA-N 446.324 4.583 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC(C)(C)C1 1705540318 UYFDTWYGCLOEMD-MOPGFXCFSA-N 429.609 4.636 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCCCC1 1705702987 PZQMXVGVIUCHSE-UZUQRXQVSA-N 430.543 4.897 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(OCCCOC)CC1 1705722478 NHSLWYJGHYCNJR-SFHVURJKSA-N 444.645 4.729 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1705749176 NIRCYNJRSHFYNG-FQEVSTJZSA-N 426.948 4.827 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705758796 DQRQSAHUFHXBGM-HKUYNNGSSA-N 432.996 4.911 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@](F)(C#N)C1 1705786461 ONFSCHNKEMLTQE-UUOWRZLLSA-N 441.551 4.861 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1705787100 IAJNYUCDZHKKET-MSOLQXFVSA-N 432.634 4.995 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1705795179 DSMTXDJFICNILR-QUCCMNQESA-N 435.538 4.836 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(F)(F)C1 1705806641 JALYAUAPCGOOJU-UHFFFAOYSA-N 439.551 4.594 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1705831866 FVNWVHSVNZNCCS-JOCHJYFZSA-N 445.007 4.835 30 10 IJEE C=CCN(c1nnc([C@H]2CCCO2)n1C[C@H](F)c1ccc(Br)cc1)C1CC1 1705856559 WYPJMAVBBASXPY-ZWKOTPCHSA-N 435.341 4.758 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1ccsc1 1705861465 GUSPANIWXRLGDI-QPPBQGQZSA-N 438.597 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1705871685 UGTFLHDQNNXBJA-NRFANRHFSA-N 436.991 4.783 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(N(C)C)CCCCC2)C1 1705919823 LHCQFNQZNIITTQ-HSZRJFAPSA-N 437.632 4.553 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1705943933 OJEJKRTUFJTMRM-UHFFFAOYSA-N 448.640 4.511 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CCCCC1)N(C)C 1709202777 GKYCAKWSBCKEBY-IEXUWNMDSA-N 434.632 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnccc1OC 1722285782 XKGKAINABKGBOJ-MRXNPFEDSA-N 447.539 4.723 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCc1csc(C(C)(C)C)n1 1722375528 OVWOHBYYRWAXHA-UHFFFAOYSA-N 438.000 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(OC)CCC(C)CC1 1722512082 WPZVHOVGLGUZDU-UHFFFAOYSA-N 426.561 4.672 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1722524685 LIBKKCCBKFFHGL-OALUTQOASA-N 430.980 4.730 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCO[C@H]2CCCC[C@H]2C)CC1 1722569561 FIWJBXKENVHMBZ-CTNGQTDRSA-N 428.552 4.748 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCc2ccccc2F)CC1 1722577394 FTHXUDKOVALTDG-LJQANCHMSA-N 430.593 4.647 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 1722595325 VZSQPUOXXOEXNE-HXUWFJFHSA-N 441.526 4.594 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1)c1ccccc1 1722597552 UIACWQXGTOVLBU-PKTZIBPZSA-N 432.616 4.954 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(F)cc2)CC1 1722605361 FGQOQIUPBBEVFM-UHFFFAOYSA-N 425.577 4.752 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(Br)cc1 1722620976 XQLHJHVHDGOGRC-UHFFFAOYSA-N 443.393 4.505 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1F 1722861711 BULIKIDIECEWEV-CYBMUJFWSA-N 448.365 4.747 30 10 IJEE CCCC(O)(CCC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1727961230 IBWJJAWOHINQNY-UXHICEINSA-N 439.604 4.542 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCC1CC(OC(C)(C)C)C1 1740680647 KAGSLBZBUOFAGN-UHFFFAOYSA-N 445.007 4.668 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(SC)CCC1 1740726183 VLQMQEMLHLOUJX-VGOFRKELSA-N 428.577 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1740731199 RAXYEADBDHILFJ-UQBPGWFLSA-N 441.620 4.575 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[C@H](COCc2ccccc2)C1 1740760155 GYARZEGUDXJLIS-LSQMVHIFSA-N 438.616 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H](C)c1nccs1 1740764858 ZBLBTYNISXNHSO-POAQFYNOSA-N 443.642 4.608 30 10 IJEE C=C(C)Cn1c(N(C)[C@H]2CC[C@H](SCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740784982 FSXKLHIPLLPIEL-RDGPPVDQSA-N 449.665 4.735 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740815679 GZVQOSFIMBNQFC-GOEBONIOSA-N 427.401 4.980 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)N(CC)CC)CC1 1740820426 CKVVNGRSTKNNGI-FQEVSTJZSA-N 441.620 4.628 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCN2CCC)CC1 1740833771 XYMALNGAMOLELE-UGKGYDQZSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1740839133 BEEHMHBXIDDXDR-WIOPSUGQSA-N 438.616 4.731 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740879525 IKDKPCNBYUAILJ-WOJBJXKFSA-N 428.552 4.605 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1740909729 XPOADRZBGAUXAQ-UHFFFAOYSA-N 434.491 4.521 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740916261 IHKAEBQVWYFTQH-FQRUVTKNSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1740922046 RORJKZZUGOGXRA-PMACEKPBSA-N 438.645 4.895 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCC([C@@H]3CCOC3)CC2)nnc1C(C)(C)C)C(C)C 1740926801 LDTFSGDNIBENNT-PKTZIBPZSA-N 443.680 4.527 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1conc1COC 1740928226 YSKQZGZGLKALOE-UHFFFAOYSA-N 439.585 4.637 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1CC1(c2ccccc2C)CCOCC1 1740929262 NKSPUTNEYZQZSA-UHFFFAOYSA-N 429.568 4.575 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](n3nc(C)cc3C)C2)cc1 1740967876 STXDKEQPEWKWBG-QHCPKHFHSA-N 448.615 4.745 30 10 IJEE CC(C)(C)CCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1741201737 FMKMZEUBLXNAQO-JOCHJYFZSA-N 430.556 4.616 30 10 IJEE Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)n1 1742347643 AKVCOHQFQJNLNU-GOSISDBHSA-N 438.963 4.585 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1748701961 UTFVOBSDEMHKLL-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1ccncc1Cl 1748944759 DLUMWYFEKQXDHS-UHFFFAOYSA-N 446.917 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCn2ccnc21 1749149068 PRCHYYACVAXOPP-KRWDZBQOSA-N 440.979 4.784 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(F)(F)CC1 1749257871 DSPOSFIMLNAPAW-UHFFFAOYSA-N 426.895 4.729 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[C@H]21 1749376891 IMYYQVJNUZUMLC-QRVBRYPASA-N 429.609 4.941 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)CC1 1749391129 LXFUJLSRYQDCMS-HXUWFJFHSA-N 436.398 4.787 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@H](C)C1 1749393444 VIOIPLZDJHLTIO-HUUCEWRRSA-N 437.357 4.817 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1749398295 CIFUNNDRHDZYBG-UHFFFAOYSA-N 427.637 4.957 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCSC1 1749471626 RNICFSMLNZYJDW-CYBMUJFWSA-N 425.371 4.612 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)N1CCCCC1 1749473586 KUIOTWVWXBENCV-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCc1ccccc1C)C1CC1 1749511414 WUUQXPYVGVFIPP-UHFFFAOYSA-N 440.389 4.752 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CCN1CCc2sccc2C1 1749537156 AVOGJKUYWGRFSK-UHFFFAOYSA-N 435.641 4.789 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCC2=CCCCC2)C1 1749719219 QMPMUMRENQDLRH-FQEVSTJZSA-N 426.536 4.668 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1760115429 GLCDXJYTLYMZPT-GHTZIAJQSA-N 426.992 4.862 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC(C)=C(Br)C1 1760141365 ROILUNMHUKHUNG-UHFFFAOYSA-N 443.389 4.582 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)SC 1760196416 MXVYIZKSXKEKQB-UHFFFAOYSA-N 431.609 4.567 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1c(C)noc1C 1760197458 XJJFTKJBYKRBKZ-IRXDYDNUSA-N 447.608 4.613 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H](C)CN1CCCCC1 1760240644 XVVZVPVCPLBOQD-LEWJYISDSA-N 425.596 4.693 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1760276808 PQPUICAQYKLHEG-UHFFFAOYSA-N 434.487 4.868 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1760278216 NDDKHADXMYYGLX-FQEVSTJZSA-N 437.638 4.769 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCC2(CCCC2)C1 1760309761 HKCLEHZOYHGEAD-UHFFFAOYSA-N 431.378 4.557 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1760344733 CMBWNXNADLUFRO-FQEVSTJZSA-N 448.615 4.915 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccs2)CC1 1760383456 QSRGPUPVYSCCLN-QHCPKHFHSA-N 430.618 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H](C)C(=O)NC 1760408650 DOKRNRYHYDWXOY-IAGOWNOFSA-N 443.661 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1Cc1cccnc1-n1cccn1 1760483326 MMBWDQDHNLFQBX-UHFFFAOYSA-N 445.546 4.536 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(C#N)C1)OC 1762128422 HTTUUDQMPZBNLK-JOCHJYFZSA-N 445.995 4.942 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(C(=O)Nc3ccccc3C(F)(F)F)n3ccccc23)c1 1858242402 ZFJYTLXKXXYVIG-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)cc2)cc1 1860916026 SYUNWHMBOJQQTG-UHFFFAOYSA-N 447.498 4.737 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 1861175208 YWHRBYFGNSBVQD-LJQANCHMSA-N 436.040 4.533 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1862444399 ZXZYRMHXPQTVRI-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446349 QDDHMRPMNQZDMQ-LJQANCHMSA-N 434.319 4.734 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 1862448031 DKOBEQRAQJLVDU-LJQANCHMSA-N 438.823 4.620 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862557541 MTQMYZQRQBAIRD-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 1862627427 MPPSGAPZVHAAHJ-KEQGGVEFSA-N 437.467 4.711 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1862649975 KSKIZWFPLJAZQI-QHCPKHFHSA-N 433.479 4.982 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674827 VFJHNYJOVAZVMH-QHCPKHFHSA-N 431.463 4.742 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1862677222 BGZSBSMIGNAFNS-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 1862680416 BFHJBMCXMZCLKC-IBGZPJMESA-N 444.846 4.908 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)c1 1862773318 HJFSQEKXGVTXBM-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)c1 1863038711 QUERDUJBIXUIBU-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE COc1ccccc1C1=C(Nc2cccc3cccnc23)C(=O)N(c2ccccc2C#N)C1=O 1863065500 QTDFHPDZMYNQDL-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE C=CCN1C(=O)C(Nc2cc(OC)c(Cl)cc2OC)=C(c2cccc3ccccc23)C1=O 1863217797 WFXBBCPOVBPWMR-UHFFFAOYSA-N 448.906 4.888 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(F)cc3)C2=O)c1 1863408846 RJMYJKJYRSPUIO-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2cc(OC)ccc2OC)C1=O 1863718085 PFDGEJKVQJXKEA-UHFFFAOYSA-N 440.540 4.527 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870107768 XRMSSPJQLQWKEQ-VQHVLOKHSA-N 426.307 4.774 30 10 IJEE CCCCCCCCCCn1cc(C(=O)N(CC)CCc2ccncc2)c(O)cc1=O 1870123876 MGUXLZGDUYGJFX-UHFFFAOYSA-N 427.589 4.794 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccccc2)cn1CCc1ccccc1 1870599081 JGPWYZYHHGIRLQ-UHFFFAOYSA-N 444.575 4.723 30 10 IJEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(OC)c(OC)cc1OC)C3=O 1871352091 OVQADTKVYSMWEZ-ISXXMWLLSA-N 439.508 4.587 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)c1 1871390996 JZEYCUJOZJSVJP-HMAPJEAMSA-N 443.455 4.931 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN(CC)CCc3ccncc3)C2=O)cc1 1871394214 LHIIXPIPKAGMKT-UQQQWYQISA-N 444.531 4.867 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3ccc(C)o3)C4=O)CC2)c1 1871397642 FAEAAFDNTWULIX-IWIPYMOSSA-N 430.504 4.540 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871456935 FRWZPRWJQBGVEV-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE CCCCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871717275 MZVAQEZEFKTHPN-HXUWFJFHSA-N 440.636 4.954 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872523935 KIGGBIRDUXFRSV-IERDGZPVSA-N 434.627 4.985 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c(Br)c(OC)c1OC 1872774677 YVYUYPDSKQXSOT-LLVKDONJSA-N 439.331 4.545 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccc(C)cc1 1873504681 HLMXBIQWCBFXDS-LSCMLXDISA-N 438.553 4.587 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cn(C)c2ccccc12 1874219069 SYIQLLOMWUPPIW-MFKUBSTISA-N 449.580 4.566 30 10 IJEE CCOc1ccc(OCc2nnc(SCC)n2/N=C/c2cccc(OCC)c2)cc1 1874235633 SIINWTASMCIBJK-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(C(F)(F)F)cc1 1874239738 XBPOQJWBAOGYIS-WYMPLXKRSA-N 436.459 4.879 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3c(C)cccc3C)nnc2SC)cc1OCC 1874298562 HEZASESJOOSDAX-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c(OC)c1 1874320257 IHEMLQZVCWYURN-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874342691 DGRMOUQYAXUXKZ-CIAFOILYSA-N 431.905 4.520 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccnc2)cc1 1874348053 SVJKAOMARBZVEJ-WGOQTCKBSA-N 429.549 4.755 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1[C@H](C)c1ccccc1 1874401359 MDUAFJFDQXDBCG-UXHMZNKVSA-N 442.610 4.973 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(C(C)C)cc1 1874464209 XESLMULXPDFTRB-OEAKJJBVSA-N 425.558 4.504 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)ccc1O 1874494769 YJTQJUZJXREHJM-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE COCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874499251 LSCSNPQRYRVNPI-WYMPLXKRSA-N 444.532 4.534 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccccc1F 1874503731 XEJLMTCHQLHXBQ-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1 1875100893 MUSSUHGVBLVLOT-AKERNLMBSA-N 429.310 4.992 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 1875112451 JGKVTFIBOWRIRF-YIXHJXPBSA-N 436.435 4.967 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)c2cccc(-n3ccc4ccccc43)c2)CC1 1891612075 YUIUWUWDWBSYHZ-UHFFFAOYSA-N 436.515 4.828 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Br)c1 1891689240 CXIOZTODRMKRBW-UHFFFAOYSA-N 446.650 4.934 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)c1 1891710874 CTGYMSQMYDIEQX-IBGZPJMESA-N 438.487 4.693 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNc2ccc(C#N)c(Cl)c2)C1 2025251360 ZVUPVNFBBYKSTD-OAQYLSRUSA-N 440.975 4.745 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2038636547 FFTFYNOSBSLWSP-YADHBBJMSA-N 448.568 4.997 30 10 IJEE COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccc(Cl)cc2C#N)ncn1 2053600750 CUJDXGQTUGMHRF-UHFFFAOYSA-N 437.839 4.747 30 10 IJEE C=CCN(CC[C@@H](Cc1c(F)ccc(Br)c1F)NC)C(=O)OC(C)(C)C 2099288683 UYKVRDASYUVYGW-ZDUSSCGKSA-N 433.337 4.671 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C#N)(c2cc(Cl)c(Br)cc2[N+](=O)[O-])CC1 2103807810 OIFBDSKIAUSEHV-UHFFFAOYSA-N 444.713 4.803 30 10 IJEE C[C@@H]1C[C@@H](CNc2ccc(C#N)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2115936294 KBMZBWJUBNNOII-OLZOCXBDSA-N 426.330 4.765 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(Br)cc(OC)c2)C1 2136329701 NLWPPSLCSQBQHK-KRWDZBQOSA-N 425.367 4.579 30 10 IJEE N#Cc1ccc(N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cc1C(F)(F)F 2162314380 HDARRMBTROUOAS-INIZCTEOSA-N 431.336 4.846 30 10 IJEE C=C(Br)Cn1c(SCC(=O)O)nc2cc(Cl)c(Br)cc21 2169019674 QGKULFXQIXDHAH-UHFFFAOYSA-N 440.544 4.538 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(C[C@H](O)c1ccccc1Br)C2 2169752808 ZZKIAMHAAWCVQI-MPGHIAIKSA-N 438.362 4.620 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3ccc(Br)cc3C#N)CC2)CCC1 2174810054 HSBUUIUTAOBFTC-UHFFFAOYSA-N 434.378 4.985 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CCN2Cc1ccc(Br)cc1C#N 2197343204 TYLDCODRAATKAL-DYESRHJHSA-N 434.378 4.590 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2219966095 ZRLRNPSKQBFQMP-OAQYLSRUSA-N 440.462 4.532 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2224080860 OJIRZJMMEVHEBR-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CCC 2232466269 LBTBAJKHRXVNFT-QAPCUYQASA-N 443.430 4.956 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235732877 SPDVJJPKZQFKNM-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](O)C#Cc1ccccc1Br 2235740373 OFXSOAQLYFMYLS-CMKODMSKSA-N 436.390 4.691 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421531 HYDKPYJRIANDEV-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C#N 2243918241 CUDPFGJVQANSLK-UQBPGWFLSA-N 445.563 4.844 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2247886837 GXQKBKDFRLNUQZ-UHFFFAOYSA-N 427.781 4.938 30 10 IJEE COCC#C[C@@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275545657 ZLYQKMWFSSWHOV-XMMPIXPASA-N 446.499 4.637 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(c3cc(Br)cc(F)c3C#N)[C@H]2C1 2290259144 NCNPVLAHXKMVNS-UGSOOPFHSA-N 438.341 4.686 30 10 IJEE C=CCc1cc(C=C2NC(=O)NC2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 2294034247 RGPJLUAZAYFLGK-UHFFFAOYSA-N 447.318 4.880 30 10 IJEE CC(C)n1ncc([C@H](O)C#Cc2cccc(Br)c2)c1NC(=O)OC(C)(C)C 2296228205 WOWATJVWCOIRJF-QGZVFWFLSA-N 434.334 4.659 30 10 IJEE CCC1CCC(NC(=O)OC(C)(C)C)([C@H](N)C#Cc2cccc(Br)c2)CC1 2296272078 HUWPDPFZMSTRMM-COFLGROHSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2296296991 URQXTJOTFQTRAM-DXIQSLLYSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CC1(C)C 2296308299 GEDCMVZKVFNUMW-AVRDEDQJSA-N 435.406 4.862 30 10 IJEE N[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319048754 VYDSSVWVMPITHC-SSUZURRFSA-N 425.528 4.740 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(C(C)(C)C)cc1 2321000301 LOMQGXKORMEOTM-UHFFFAOYSA-N 426.542 4.692 30 10 IJEE COCCc1nnc(S)n1N=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2321911714 KWVOSAGPRLNCRF-UHFFFAOYSA-N 437.352 4.524 30 10 IJEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCC(=O)Nc1nccs1 2322339095 LEMUIJZNICMXOK-UHFFFAOYSA-N 448.544 4.944 30 10 IJEE N#Cc1sccc1COCc1ccc(I)c(Br)c1 2325387111 UFDGDFMGWPNQCG-UHFFFAOYSA-N 434.096 4.704 30 10 IJEE COc1cc(Br)cc(C=Nn2c(C)nnc2SCc2cccc(C)c2)c1O 2325616577 ZQHLKTXWKMIEMG-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE COc1ccc(OC)c(NC(=O)C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 2325652616 RLVUROVRSJUZCY-UHFFFAOYSA-N 447.487 4.512 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1c(OC)cccc1OC 2325722814 DOUDELDSVBDSIB-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325722846 LFNWAEPDGSENSL-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)cc4)c3C)C2=O)cc1 2325728028 PLVHEDSXNYEUES-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(N(C)C)cc1 2326618457 RDPGAJFCELBNIT-UHFFFAOYSA-N 430.375 4.590 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(C(=O)O)cc1 2327117289 YGYNOJQQKBEZDF-UHFFFAOYSA-N 438.553 4.681 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C=Cc1ccc(Br)cc1)c1ccccc1 2328571231 LYCKTOVHMUNFHQ-QFIPXVFZSA-N 439.353 4.520 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc(OC)c1OC 2328857385 FZRCSNFAEGVKII-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE Cc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCC(=O)OCC(C)C 2330209958 YYSAYCIBSZUZCL-UHFFFAOYSA-N 436.581 4.545 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2330684963 SRQHHTOHQCHQCC-UHFFFAOYSA-N 428.444 4.984 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2c[nH]c3ccccc23)cc1 2330935710 HJDGUBMHUASRQS-HXUWFJFHSA-N 448.508 4.694 30 10 IJEE COc1cccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3OC)cc2OC)c1 2331051997 NTICJMLAWLUZHR-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCCO)nnc2C2CCCC2)cc1OC 2331087208 FEERTSPTQWNSOO-UHFFFAOYSA-N 446.617 4.870 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2339199356 ADGJTSDQKLGWRB-FUHWJXTLSA-N 427.383 4.968 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(NC1CC1)C1CC2(CC2)C1)Cc1ccccc1 2344880942 JMYFJQSXJCDSNF-LJAQVGFWSA-N 442.651 4.825 30 10 IJEE C=CCCC1([C@@H](O)c2cc(Br)cc(COC)c2)CN(C(=O)OC(C)(C)C)C1 2362295643 PRSMDQDBDXLHBK-SFHVURJKSA-N 440.378 4.832 30 10 IJEE COc1ccc(Nc2nc(N/N=C/c3cccc(O)c3)nc(Nc3ccccc3)n2)cc1 8872844 CKOMBVUPZYNXNH-BUVRLJJBSA-N 427.468 4.519 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc([N+](=O)[O-])c1 11762852 LFCQOGSMEORAPN-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1ccc(Cl)cc1 12648211 GBIOZLXFAVQGNC-NWIBBQCFSA-N 443.956 4.913 30 10 IJEE Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C#N)o3)C2=O)c1 20408225 YGOKKWDZAPQKSM-MTJSOVHGSA-N 443.484 4.802 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@@H]1CCCO1)[C@@H]2c1ccco1 21355890 ZTZGKADJJBQRFH-QMHKHESXSA-N 435.524 4.785 30 10 IJEE CSc1cccc(N/C(=N\C(=O)c2cc(C)cc(C)c2)NCCc2c(C)nn(C)c2C)c1 32973677 KUMCQXKKHRSFIZ-UHFFFAOYSA-N 449.624 4.816 30 10 IJEE C=CCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)c1ccccc1OC 33398155 MORXJXVIUZJQLX-UHFFFAOYSA-N 434.561 4.614 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)c1 33431318 GRBDISZPDGCTSY-JOCHJYFZSA-N 435.451 4.986 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(CCc1cccs1)CO2 41588242 HUNZAKYYOSFSBQ-NHDPSOOVSA-N 448.500 4.976 30 10 IJEE O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cc(Cl)c(O)c(Br)c1 96471518 BCORTEGJNJFORP-QPEQYQDCSA-N 427.682 4.839 30 10 IJEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccccc2)S1 100414947 MUXZCSDSRYGEEE-AQTDBHCXSA-N 433.508 4.986 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2OC)c1 169939649 LZDBSJJNRQFKEZ-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccn2)cc1 169994969 WOYORBLBGGPHBI-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)c1 170024431 ICGGJJBSROUHLS-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccncc1)c1ccc2ccccc2c1 170026830 VHYVGHDHALKYGL-QHCPKHFHSA-N 446.466 4.894 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOC(C)C)c1 170035268 GGVSUSJHOXPHMM-NRFANRHFSA-N 443.927 4.742 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2)c1 170036406 JJCTYCXIRXURSP-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE N#Cc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCC(Cc4ccccc4)CC3)C2=O)cc1 170048142 XODKXYBSIPNEKU-UHFFFAOYSA-N 447.538 4.797 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1ccc(N(C)C)cc1 170087193 VBBOWQYRSPVYOC-QHCPKHFHSA-N 430.479 4.983 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170132344 YAZQIMKVRLUAFS-DEOSSOPVSA-N 441.483 4.760 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccs2)cc1 170157867 CDKBMCHZCSMRIG-QGZVFWFLSA-N 426.519 4.613 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccs2)cc1 170164247 FRSRDULGTOMEIZ-OAQYLSRUSA-N 443.565 4.932 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 170185420 JUGUWIQZAYBVEP-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3ccccc3F)ccc2O1 170248966 ONOOYKQHAWRJBR-PSLXWICFSA-N 445.446 4.638 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1C 170274611 OFKJKRAHPRHOTH-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(C)o2)cc1C 170301225 OPGXUAVVPAEOPQ-QFIPXVFZSA-N 433.460 4.702 30 10 IJEE N#Cc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1 247642576 IIXGBZUEOPWQEE-UHFFFAOYSA-N 436.496 4.714 30 10 IJEE C[C@H](N/C(N)=N/Cc1cccc(COC2CCOCC2)c1)c1ccc(Cl)cc1Cl 304761376 UJIXEXPAZAZEON-HNNXBMFYSA-N 436.383 4.855 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 429077122 KFBNENWFIQEYIS-HNNXBMFYSA-N 434.384 4.964 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 460776999 YMCWQYZLFXRFRB-JOCHJYFZSA-N 445.464 4.934 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@@H]1CCCCO1 461865170 JIFCPLUKWPMMBS-UGKGYDQZSA-N 436.581 4.778 30 10 IJEE C=C(C)C[C@H](C)C(=O)Nc1cccc(C(=O)N2CCCN(C(=O)[C@@H](C)CC(=C)C)CC2)c1 467115827 DQBIYSZGOVSYHP-SFTDATJTSA-N 439.600 4.504 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)o2)cc1 486603024 TWUKXLFBHLYNPP-UHFFFAOYSA-N 433.552 4.994 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 503796029 MJKPWNIOSHHHRC-UHFFFAOYSA-N 439.512 4.823 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508919626 RLZQOSYVOGOGPX-IAGOWNOFSA-N 440.523 4.634 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 521714642 PRSGEKJGSQMPCS-FQEVSTJZSA-N 425.485 4.681 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)cc1OCC 526490354 MPCXQEYTQVSBSX-XMMPIXPASA-N 441.487 4.808 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc1OCC 526825063 IBJLQXYHCPMGSY-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 549604316 ZVPSPIQRXUSPPQ-UHFFFAOYSA-N 448.542 4.714 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 558992037 QYVQMPQKDVKPGJ-GOSISDBHSA-N 442.007 4.650 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccc(F)cc3F)C2)c1 586052057 AJJRLBRFUXWCES-HXUWFJFHSA-N 441.522 4.837 30 10 IJEE Cc1nc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)sc1SCC#N 608939220 XBBNOBXQWVLUMN-UHFFFAOYSA-N 429.596 4.532 30 10 IJEE C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1ccc(C#N)cc1F)OCCO3 609254557 SCRXYQUWVJJGQM-INIZCTEOSA-N 435.499 4.567 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(N2c3ccccc3C[C@H]2C)CC1 609385215 DICHINUJLHFJCN-UXHICEINSA-N 448.636 4.935 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](OC(F)F)C1 642700186 LWTGRBIGNYFLHK-INIZCTEOSA-N 431.512 4.771 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)[C@H]2CCCN[C@@H]2C1(C)C 703233708 HOCHMYFQCDKITP-XGHQBKJUSA-N 434.378 4.861 30 10 IJEE C=CCC1([C@H](NCCC)c2sncc2Br)CN(C(=O)OC(C)(C)C)C1 722941779 WCKAUNBPYQFWFD-OAHLLOKOSA-N 430.412 4.760 30 10 IJEE CC(C)CCc1nc(COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)cs1 744511759 JNVSPXGQONBQCJ-UHFFFAOYSA-N 445.488 4.558 30 10 IJEE COc1cc(C[S@](=O)Cc2cccnc2Cl)ccc1OCc1cccc(C#N)c1 751457416 LQNCAMDFHIXKAV-LJAQVGFWSA-N 426.925 4.643 30 10 IJEE C=CCn1c(C)nn(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1=S 753810508 FHVHWTCYIRAFEP-SFHVURJKSA-N 430.622 4.642 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 759230619 GNNNVWMCTODHDC-NJDAHSKKSA-N 428.488 4.657 30 10 IJEE N#CCOc1ccc(Cl)cc1CSCC(=O)NCc1ccc(F)cc1C(F)(F)F 762810790 DIFFCGCBMNKIQY-UHFFFAOYSA-N 446.853 4.950 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1=S 764972716 OQCMWWSUDYWLOE-INIZCTEOSA-N 426.567 4.852 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1=S 783967745 FHUWWVOHHDQTFB-OAHLLOKOSA-N 444.008 4.670 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CCCN1C(=O)OC(C)(C)C 790668728 HNCLNUFHGQRNHD-XMMPIXPASA-N 438.528 4.862 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 800783182 QABLJTWNKFOKPM-DOTOQJQBSA-N 431.968 4.524 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccccc1CCC(F)(F)F 1127173348 DFYKFSCVTILGEA-UHFFFAOYSA-N 427.220 4.833 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2c(C)cccc2C)cc1 1136354959 FLIAUMLWSGNDIO-UHFFFAOYSA-N 436.533 4.812 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 1137860945 UPHFFNHNULBERE-VGOFRKELSA-N 425.573 4.699 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)c1ccc(Cl)cc1F 1140478924 VUTGACUKVPNTRJ-LJQANCHMSA-N 442.947 4.568 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CCCCC2(F)F)c1 1141372309 GUHQNDJNIJNAAI-KRWDZBQOSA-N 443.519 4.844 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 1146933636 IUPPMNFRFQOSKT-CQSZACIVSA-N 434.842 4.526 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 1153695696 PUOHUSWOQWHJOR-RTWAWAEBSA-N 444.959 4.539 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1C#N 1158939893 FXPUKWVHXMQLAD-QHCPKHFHSA-N 441.531 4.715 30 10 IJEE C#C[C@@H](N[C@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)c1ccc(Cl)cc1 1182152552 PAMYYIKJQSOZSZ-FZKQIMNGSA-N 432.973 4.876 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)cc(Cl)c1O 1183111435 IZOQOPIJERTKBU-CYBMUJFWSA-N 447.757 4.996 30 10 IJEE C=CCc1ccccc1OS(=O)(=O)c1ccc(Br)cc1Br 1184545135 LDCJJFMQWDFEPW-UHFFFAOYSA-N 432.133 4.708 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)cc2n1 1209582670 VXKBAPYAQCMXOT-FQEVSTJZSA-N 430.430 4.847 30 10 IJEE CC[C@@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)c1nc(C(F)(F)F)cs1 1210159595 DZVLXTKXDCYRHL-GFCCVEGCSA-N 445.513 4.986 30 10 IJEE C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1211185323 DBYLQNAZUFYINB-NSHDSACASA-N 447.276 4.721 30 10 IJEE CC(=O)N(c1ccc(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1)[C@@H]1C[C@@H]1C 1218460536 WJSBOCAYRSESPM-CJMONDIMSA-N 430.430 4.745 30 10 IJEE C#CCC1(NC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CCCCC1 1225836276 JCUWOKFVPLKINL-UHFFFAOYSA-N 433.390 4.523 30 10 IJEE C=CCCCCCCNC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1228041464 XNUJWHVKPDTHHB-LEWJYISDSA-N 437.625 4.617 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1)c1ccc(F)c(F)c1 1234556728 WFVSVMSQODGJFC-UZUQRXQVSA-N 445.510 4.885 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)c1 1264920382 XKLKXIRYRUCIAO-UHFFFAOYSA-N 428.467 4.951 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccc(C)cc2)cn1)[C@@H](Cc1ccccc1)C(=O)OCC 1269219668 JQGCUGRZOPMVLF-VWLOTQADSA-N 444.531 4.985 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)COc3ccc(C#N)c(Br)c3)c(C#N)c2[C@@H]1C 1274491349 CFPVFNQNKGLWPP-VXGBXAGGSA-N 444.354 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCC(C)(C)COC 1286282700 RWCNZNXNIWGHNP-AWEZNQCLSA-N 439.423 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCCC1(C)C 1286300676 BONKUVLNYAOCSC-NIYFSFCBSA-N 438.616 4.554 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C[C@H](C)CC 1286347049 GMWHGHLCHHUYQM-WOJBJXKFSA-N 431.625 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1286522933 QJSKVNWHFDFNRA-YIXXDRMTSA-N 449.643 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)CCC(C)C 1286527706 OWZANGLAJSKSHA-DNQXCXABSA-N 445.007 4.690 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286570910 JUISYIHMJAMKPZ-MBSDFSHPSA-N 430.980 4.729 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1286619330 ACEYOZBAVRADHE-CXAGYDPISA-N 439.785 4.885 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 1286646921 XPBVGWNDTVTIOE-QFIPXVFZSA-N 437.632 4.869 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1)c1ccccc1 1286677804 KBECCXFTBCBPPR-DEOSSOPVSA-N 449.643 4.990 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286685537 WDKAINQLLDJNHS-IBGZPJMESA-N 441.595 4.819 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1286760078 JFVXZFBMWVTBAZ-LJQANCHMSA-N 449.624 4.974 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC[C@H](F)C2)C1 1286800109 GFBUAXDHHHFKER-LNRXMEIDSA-N 442.579 4.954 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccoc2)C1 1288981617 GCXUXDKNAPDZOD-NRFANRHFSA-N 427.961 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1nc2c(s1)C[C@H](C)CC2 1300324546 HFNGYWOELFYRQO-QZTJIDSGSA-N 449.624 4.507 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(OC(C)C)nc1 1300556203 FDZYZQURRKLQHM-XMMPIXPASA-N 441.579 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCC1CCOCC1 1300813914 VDGDAIRJCXEYGP-AREMUKBSSA-N 436.600 4.673 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCOC(C)(C)C 1300852589 ATPQYKYHVIOOJT-UHFFFAOYSA-N 446.393 4.510 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1300970094 JVHDWXXPZSMMMG-NHCUHLMSSA-N 439.560 4.850 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1300988274 ALHGCRKZCWPPFQ-IBGZPJMESA-N 438.494 4.768 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1301112254 ONQOPGHIYVVFLP-OPVJXMOQSA-N 440.588 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1301112278 PKVHAWWVHKTWHG-JOCHJYFZSA-N 432.597 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1301150272 QBPGDHYHHSDDFD-IBGZPJMESA-N 434.588 4.737 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC2(CCC2)C1 1301208747 CILNXTQJZLNLJM-UHFFFAOYSA-N 435.341 4.572 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1cc(C(F)(F)F)ccn1 1301309395 QVGUDLDSFQHXNW-UHFFFAOYSA-N 445.489 4.753 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1C(F)(F)C12CCC2 1301379766 SGCQKNCXDQTVPP-LJQANCHMSA-N 430.499 4.576 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1301531598 RHLXRHYTOANLQT-HKBOAZHASA-N 442.629 4.506 30 10 IJEE COC[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC#N)CC1 1315792505 HZNUFQFPJFGGOB-LJQANCHMSA-N 439.604 4.567 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CC(c2ccccn2)=NO1)c1ccc(C)c(C)c1 1350664055 VCFHMMBEVDENIK-AREMUKBSSA-N 441.531 4.990 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 1351527537 BYGDIZDIOIOXKX-UHFFFAOYSA-N 442.475 4.723 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)OC(C)(C)C2)[C@@H]1CCOc2ccc(Br)cc21 1353634975 PJWGGLMFYRYAPH-LJQANCHMSA-N 440.337 4.762 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CC1 1354155416 DVXPVMINPZHMLA-HXUWFJFHSA-N 437.565 4.743 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1358910171 GRCUCVSFXFQZRG-JOCHJYFZSA-N 435.959 4.683 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1359082835 VFEZVLGASWFJID-HXUWFJFHSA-N 444.421 4.555 30 10 IJEE C=C(C)COCCn1c(N2CCS[C@@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1359137600 UNYLCBQQIQLTAN-NRFANRHFSA-N 426.630 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H]2C[C@H]1CO2 1359186025 RBPLETNXJITNRH-HOTGVXAUSA-N 431.378 4.678 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1359198804 BLPWEGXYYMKTDO-UHFFFAOYSA-N 427.499 4.808 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1359235141 OSWUHMDHLLRQRW-UHFFFAOYSA-N 436.991 4.900 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1359287876 ANAIGAUOLVKNLA-UHFFFAOYSA-N 428.024 4.801 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 1359344120 MNNKATPGLWDYHW-QFIPXVFZSA-N 435.037 4.837 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1CCc1ccc(F)c(F)c1 1359926783 BPYCEPYFMCNUCM-UHFFFAOYSA-N 426.515 4.571 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCCS2)c1 1361031752 ACUHYIXTJLXCIW-XUZZJYLKSA-N 439.629 4.890 30 10 IJEE C=CCOc1cccnc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)C[C@H]1CCC 1435678648 LQIAOVSALPYTAG-LJQANCHMSA-N 433.474 4.796 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)C(C)(C)C)ccc1Cl 1436510151 GFSJHLLLTQRNHA-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@@H](C)Oc3cc(Br)ccc32)cc1OC 1438014221 CDRFTVZCCGQMLP-IZIDJEDMSA-N 444.325 4.850 30 10 IJEE C=CC1(CC(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)CN(C(=O)OC(C)(C)C)C1 1450824394 HQSQLWQTDVMTOV-PMACEKPBSA-N 428.573 4.504 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](OCC)C1 1452961467 FCNGDKKCWNTIOA-MPCDZSKCSA-N 448.563 4.544 30 10 IJEE Cc1cc(F)c(Br)cc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1455324855 DNTARKRYVMMEOS-UHFFFAOYSA-N 426.135 4.595 30 10 IJEE COc1ccc(CCn2c(C)cc(C(=O)COc3ccc(C#N)cc3F)c2C)cc1OC 1458995250 FXBAZSRIAOSWMZ-UHFFFAOYSA-N 436.483 4.637 30 10 IJEE C#C[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Br)cc1 1460791104 WXGPVTDTVNOEMJ-QFIPXVFZSA-N 448.316 4.550 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1c(C)c2cc(Br)ccc2oc1=O)c1ccccc1 1463269508 GNRAZIYHNYEWQG-MHZLTWQESA-N 446.322 4.717 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 1465872885 CSGUUVLKLYJDKF-FQEVSTJZSA-N 426.561 4.756 30 10 IJEE C=CCCCN(CC)C(=O)Nc1cc(Br)cc(I)c1 1467087493 VNSQZNUXMRVBPG-UHFFFAOYSA-N 437.119 4.874 30 10 IJEE C=CCCC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)C(=O)OC 1471894905 HXRSFGJMPQEUAG-NBRGKURFSA-N 430.504 4.942 30 10 IJEE C#CCOc1ccc(NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1 1476150197 BRUJMSFMPNNPCM-UHFFFAOYSA-N 427.548 4.865 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccnc(SC)c1 1507522419 VSAXOYVRGJUZAX-CVEARBPZSA-N 437.638 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCC(F)(F)C1 1507545853 MPCQKMCWOWWWIT-ROUUACIJSA-N 432.515 4.539 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1507884253 RKNGPIIGCDGGGG-LJQANCHMSA-N 448.514 4.529 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2CC2(SC)CCOCC2)CC1 1507887322 NERDCIHMFHKRMN-UHFFFAOYSA-N 426.630 4.522 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H]2C)CC1 1507894734 KJKZIFBKGUYBKI-XLIONFOSSA-N 442.007 4.700 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccoc2)CC1 1507897319 HMCMEQJINBPJDW-UHFFFAOYSA-N 431.309 4.890 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)C1CCCC1 1507925484 HDSUIINHRWQBOC-UHFFFAOYSA-N 444.649 4.672 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507944211 PSEMBQMCQSPBTD-NHCUHLMSSA-N 425.577 4.501 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1507949208 ZABHMKOAGWSDNS-PMACEKPBSA-N 434.943 4.856 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1507968238 RDBYONFNPWOPTR-HRAATJIYSA-N 432.515 4.514 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 1507989933 KAOUOAAOJOEXAZ-UHFFFAOYSA-N 425.577 4.712 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)SC 1507998524 CJDZZNVDMKQCSK-MRXNPFEDSA-N 438.988 4.809 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC1(O)CCCCCC1 1508005473 QVKPIKWQLVEPMP-UHFFFAOYSA-N 435.547 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)ccc2C)n1Cc1cnn(C)c1 1508011211 PFUSKLHLCJCXCR-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1509972248 DMYHPAXNBBUWDN-INIZCTEOSA-N 427.524 4.993 30 10 IJEE CN(CCCn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)C1CCCCC1 1517297132 HRAVAGBUVKCASW-UHFFFAOYSA-N 426.653 4.795 30 10 IJEE Cn1cccc1-c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC(C)(C)C 1517403537 BUXQJHCGSZXDBF-JOCHJYFZSA-N 432.572 4.559 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)c1cnc(-c2ccccc2Br)s1 1517581624 GWWBNJQUJOYPJA-UHFFFAOYSA-N 432.274 4.866 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 1521123098 PEYSDZINSKBBDD-MHZLTWQESA-N 441.527 4.894 30 10 IJEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cc1 1522957144 MQSOSXSCLSYEQF-RVYVDECRSA-N 438.593 4.886 30 10 IJEE C=CCC[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O)c1ccccc1 1524035808 VTSHQIWSWLWOGI-DGNXNODXSA-N 434.561 4.898 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)[C@@H](OC)c2ccc(OC)cc2)s1 1527126581 FPCAYXGPBDNCSU-IFXJQAMLSA-N 441.018 4.740 30 10 IJEE C=CCC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 1529475101 ZXENLSQONOXYGQ-RTWAWAEBSA-N 428.479 4.650 30 10 IJEE C#CCOc1ccc(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 1530635190 GQRHWLSJAOUUOI-UHFFFAOYSA-N 426.394 4.835 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](c3cccc(F)c3)c3cccc(Cl)c3)CC2=O)cc1 1533876726 FXIULHUKOOQARL-NTKDMRAZSA-N 447.897 4.609 30 10 IJEE C=CCc1cc(C(=O)N2CCCc3cc(Br)cc(F)c32)cc(OC)c1OC 1536652875 DBGBRBKIZKBCPQ-UHFFFAOYSA-N 434.305 4.927 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccccc1 1537431226 ZKHYFSGVTNVPPZ-AREMUKBSSA-N 425.528 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nccnc1C 1538971999 GLFBWBUWGXCRNN-AWEZNQCLSA-N 436.972 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1538994588 FUQMQPLYTHUGMC-NJNPRVFISA-N 437.588 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cccnc1Oc1cccc(F)c1 1539023118 MLDKTMWWWZSZNL-KRWDZBQOSA-N 447.539 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539632927 VTNQAVIIMTYABR-GSLIJJQTSA-N 447.627 4.789 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(c3cccc(OC)c3)CC2)nnc1C(C)(C)C 1539640781 JOAYVOKOJOBIQQ-GGAORHGYSA-N 438.616 4.949 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1539805126 GKVZNWIVTVTWDH-VQTJNVASSA-N 432.971 4.935 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539859825 WHPZQPUAVMSKKF-PKOBYXMFSA-N 433.021 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C(=O)OC)C1 1539906079 JDJHKLGTGPCYSC-GOSISDBHSA-N 442.629 4.877 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@H]21 1539916483 LDKRVCAYZOCDGE-XUVXKRRUSA-N 443.636 4.984 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1540012121 BHVQVNJEHPLJCI-UHFFFAOYSA-N 441.645 4.516 30 10 IJEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1540039563 BGISGJYMPBURJO-BGYRXZFFSA-N 448.558 4.794 30 10 IJEE Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCC#N)CC2CC2)c(C)c1 1542402147 BRMGUTRIKMOTSL-DHIUTWEWSA-N 435.616 4.992 30 10 IJEE C=CCc1ccc(OCC(=O)NCC/C=C/c2ccc(Br)cc2)c(OC)c1 1542563527 VBRUHYITNODFOK-QPJJXVBHSA-N 430.342 4.785 30 10 IJEE C[C@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)CCO1 1543634721 FURDAKUOGRZFOU-VQTJNVASSA-N 437.588 4.560 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cc1OC 1545441486 PGCSNNSLHNJIIE-IZKUIKQZSA-N 426.601 4.776 30 10 IJEE CC[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)Oc1cccc(F)c1 1562533092 CWLBGXFNTVHNEZ-INIZCTEOSA-N 427.867 4.516 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(OC)c(Br)c1)c1ccc(Cl)cc1F 1563544840 IUCXRSOXGCYZJY-DIFFPNOSSA-N 439.712 4.985 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](c1nccn1C)C(C)(C)CO)c1ccc(C(F)(F)F)cc1 1564407069 VMQFJQBWGINBDK-MSOLQXFVSA-N 438.494 4.505 30 10 IJEE COc1cccc(-c2nc(C)c(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)[nH]2)c1 1565846596 BAJMXWMUZXVMSP-UHFFFAOYSA-N 428.517 4.924 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)c3ccc(OCc4ccccc4)cc3)n[nH]2)c1C 1567667343 NEKWQCNUKAEQAJ-UHFFFAOYSA-N 441.535 4.932 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1570662126 RLDKRFHYRXTDCN-HXUWFJFHSA-N 430.548 4.519 30 10 IJEE C[C@@H](CC#N)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1585744305 GOVVJBBVRSRAAD-BVZFJXPGSA-N 439.515 4.685 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC2CCCCC2)CC1 1587783732 VWCMQHOFBUXBRR-UHFFFAOYSA-N 449.643 4.671 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1588266114 LSZKFSPYSFDBSO-UXHICEINSA-N 441.595 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C(C)C)N1CCCC1 1589164646 XCPXSVREHYFWOR-XUZZJYLKSA-N 426.008 4.711 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC2CCCCC2)CC1 1589722147 UOFWKASDIBELJR-UHFFFAOYSA-N 445.558 4.825 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1594545934 WGQWGTDQHGBCDV-NRFANRHFSA-N 430.556 4.885 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1594928947 AWVFZHRWVOWMMI-IBGZPJMESA-N 425.577 4.523 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(CCC)C1)C1CC1 1595043959 ILPJIYZKSZFMCL-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(CC(C)C)C1 1595108911 OKYBTFNXDWTSRJ-QHCPKHFHSA-N 432.616 4.834 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CC[C@@]2(C1)OCc1ccccc12)C(C)C 1595166406 STRJJWPDFMDCPE-SQHAQQRYSA-N 449.643 4.736 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)OCC 1596778830 XQQAKIYTWDCMSV-SFHVURJKSA-N 433.291 4.808 30 10 IJEE C#CCN(CC)C(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1597334036 KLKVRDVKXZQTIQ-UHFFFAOYSA-N 438.527 4.821 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)Nc3nsc(Cc4ccc(F)cc4)n3)o2)cc1 1598005745 BLFLHGMOLFADEX-UHFFFAOYSA-N 434.452 4.564 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OCC)C(C)C)nc2sc(-c3ccccc3)cc2c1=O 1613426075 IRAQWHIGVDMQEA-GOSISDBHSA-N 428.579 4.991 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(CSc2nc[nH]n2)cc1 1626171745 LHKDEKIBWDMHKI-UHFFFAOYSA-N 445.342 4.677 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1Oc1ccc(C)cc1 1626473885 OBMWPYVNYUIGQK-QFIPXVFZSA-N 436.552 4.753 30 10 IJEE N#CCCN(Cc1ccccn1)C(=O)c1cnc(-c2ccccc2Br)s1 1628449216 FYTBBHMSUKZXFZ-UHFFFAOYSA-N 427.327 4.524 30 10 IJEE C=CCOc1ccc(C(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1OC 1632898885 XXFCDQZHAHXCHQ-VWLOTQADSA-N 446.588 4.663 30 10 IJEE C=CC1(CC(=O)NCCc2nc(-c3ccccc3)c(C)s2)CN(C(=O)OC(C)(C)C)C1 1634064880 DQMNDLHADXJYON-UHFFFAOYSA-N 441.597 4.590 30 10 IJEE C#CCN(C(=O)NC1CC(c2ccccc2)C1)[C@H]1CCOc2ccc(Br)cc21 1634700712 KWIJBLLPGLWELD-XTXLOEGASA-N 439.353 4.864 30 10 IJEE C=CC1(CC(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1635066174 JHHIGHJHHYFZHO-OAQYLSRUSA-N 440.584 4.844 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)C(=O)OCC 1636838222 RGWVZXPXIAAXDE-JOCHJYFZSA-N 434.540 4.615 30 10 IJEE C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)CN1C(=O)OC(C)(C)C 1637513967 HPIWPPMEPYPWCF-QZTJIDSGSA-N 435.524 4.820 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 1637758017 PUPCCOHMXOGVJS-GOSISDBHSA-N 429.314 4.776 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)C(=O)OC 1638401659 SWGAWDBWANNPAF-IBGZPJMESA-N 439.899 4.685 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccc(Cl)cc3)sc2C(=O)OCC)C1 1643559901 UPCNWWWKVAFLBF-MRXNPFEDSA-N 444.984 4.919 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C12CCC2 1643983487 GATRPAAXJVDGOD-YADHBBJMSA-N 447.535 4.916 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c1 1648556804 XNCAEFIZDNWCMY-HXUWFJFHSA-N 433.335 4.789 30 10 IJEE C=CCn1c(SCC(=O)NC2CCC(C)CC2)nc2sc3c(c2c1=O)CCCCC3 1651548622 IWUJPYGVYLZUQB-UHFFFAOYSA-N 445.654 4.700 30 10 IJEE C#C[C@@H](NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1652446732 SZSAWTMCAODOJX-RWWKDMOOSA-N 449.353 4.903 30 10 IJEE C#CCN(Cc1sncc1Br)[C@@H]1CCOc2ccc(Br)cc21 1652514873 FWELUZQDSJZCOE-CQSZACIVSA-N 442.176 4.627 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3ccccc3F)C2)n(Cc2ccc(F)cc2)c1C 1653693565 CREPHPCPXJZRPH-FQEVSTJZSA-N 448.517 4.731 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CC1 1657500862 LUOXROJPRZJTPE-UHFFFAOYSA-N 432.318 4.571 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](Cc2ccc(Br)cc2)C1 1658740249 YPDFAXXPUDIBGQ-IEBWSBKVSA-N 447.442 4.978 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC2(c3ccc(Br)cc3)CCC2)cc1 1661550885 MYWYNBHZVIQGMM-UHFFFAOYSA-N 434.399 4.968 30 10 IJEE CC(C)c1ccc(C2(O)CCC(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 1664274860 HITAJNKFUQWTHR-GQMSDEBMSA-N 431.580 4.597 30 10 IJEE COC[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)cc1 1665855235 GJWDTCNEIHFWCT-GOSISDBHSA-N 436.899 4.951 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 1671187691 XLVAMKIYOKVHKK-UHFFFAOYSA-N 426.460 4.549 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(C#N)n1)CC(C)(C)O2 1672592712 BOIUFZZIZYOXHD-KRWDZBQOSA-N 437.500 4.724 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 1675374379 XXMQFCPERUHEBS-UHFFFAOYSA-N 427.523 4.733 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cc1 1675406287 YUIRMTXOMQYVMK-UHFFFAOYSA-N 446.532 4.654 30 10 IJEE C#CCC1(NC(=O)Nc2cc(F)c(Cl)cc2I)CCCCC1 1679583216 UNFXOKUGEKXJFO-UHFFFAOYSA-N 434.680 4.931 30 10 IJEE CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1680490958 DCEZAKWMHJPVMP-OSFYOIPJSA-N 436.556 4.628 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1Cc1ccc(OC)cc1)c1ccc(Br)cc1 1686920459 YNWIYFHJCWUUPG-IRLDBZIGSA-N 441.369 4.939 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCCCCC1 1689938643 ROIMZVSLQUSPPD-UHFFFAOYSA-N 431.378 4.804 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCC(F)(F)C1 1689975462 XRPQIMZKIHMOIU-CYBMUJFWSA-N 429.298 4.669 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)CCC 1690065079 KGOKJDVNLUWERK-QHCPKHFHSA-N 426.561 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@](C)(O)C(C)C 1690200209 OPDNLXRRTQSXBR-FTJBHMTQSA-N 438.616 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(F)cc(C)c2C1 1690247955 ISCFFFFTCRFUEV-XXBNENTESA-N 426.580 4.858 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CCOCC1 1690278774 QICRBZBDLLYCAP-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1ccccn1 1690292716 NDURBMXRCNKKKD-UHFFFAOYSA-N 425.964 4.859 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1690294708 XHVCVFUJMFHREI-NRFANRHFSA-N 438.616 4.984 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690301133 PUIIRHXZNWTSEC-ZEQRLZLVSA-N 448.615 4.759 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[C@@H]2OC)CC1 1690368714 IZZLQAXIJLUCSR-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCSc2ccccc2)CC1 1690398616 BGMPKPMNCDQJRO-DEOSSOPVSA-N 442.629 4.515 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCSC1 1690420013 IHGHZUDXTOEBLJ-QGZVFWFLSA-N 446.617 4.515 30 10 IJEE C=CC[C@H](Cn1c(N2CCC=C(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690447892 ZJCBLFNBWKWUCZ-ZEQKJWHPSA-N 436.600 4.835 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCSC1(C)C 1690525823 QRXPEKDMZBRQLM-SFHVURJKSA-N 449.665 4.547 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC1(OCC)CCCC1 1690560153 PRPHYGDFRKHLGW-HSZRJFAPSA-N 449.599 4.586 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(C)C)nc1 1690567714 MSVFFPPNTRJBAL-JOCHJYFZSA-N 433.556 4.553 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1OCC 1690587912 BFBOKIFLFGBSGW-UHFFFAOYSA-N 427.911 4.758 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CCS1 1692867362 FBFUVXHHPGGBKZ-SFHVURJKSA-N 431.556 4.974 30 10 IJEE C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1)N1CCCCC1 1693772005 AEKMMXPBYGTYHI-RTWAWAEBSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](SC)C(C)(C)C 1705486696 KAKNPVCIMFNMKA-WMLDXEAASA-N 435.435 4.943 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CCc1cc(Br)ccc1F 1705498757 CYKZFVVFFXNQAN-OAHLLOKOSA-N 433.369 4.613 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCSC1(C)C 1705547364 RJIQMQGFVGQSQN-GOSISDBHSA-N 437.638 4.978 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@@H](F)C1 1705592776 TYTBSEZRFASPNO-NHCUHLMSSA-N 446.526 4.718 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC(C)CC1 1705604052 DKWPBQDLTULBKZ-UXHICEINSA-N 444.023 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1705712361 QZPNSEWNPBVJNN-CYFREDJKSA-N 428.577 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1705719684 HMUMTBDEXCIXBV-URXFXBBRSA-N 426.605 4.937 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1705734005 ZZBPUFCUURGOEK-MRXNPFEDSA-N 429.927 4.923 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705761089 ZXVNQMHGKLEKDG-FJIDUMEYSA-N 436.000 4.570 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nccn2C(F)F)CC1 1705785438 IIRLSGLDDWLNHK-UHFFFAOYSA-N 444.555 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1705785652 QJYHGCGLVDSBNI-INIZCTEOSA-N 431.531 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN(C)CCC)C1 1705787932 KDIIUHYPBUXMIX-GOSISDBHSA-N 431.028 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](CC)C1 1705789606 QFNMTEUHXADWED-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1705800975 PGBRIUKJEKFLDB-INIZCTEOSA-N 432.849 4.861 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCOc1cccc(C(F)(F)F)n1 1705836601 YSIXSAUKTWBQRC-UHFFFAOYSA-N 437.853 4.714 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(CC)(CC)C1 1705944285 AFBSMZQFRUVUKO-UHFFFAOYSA-N 427.643 4.848 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C(C)C)C(C)C)CCS1 1709327198 BGAKJSXDVKHYCH-JOCHJYFZSA-N 440.661 4.657 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCCCC 1722283589 VUAVGFVASUIFKN-AWEZNQCLSA-N 439.785 4.636 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1scnc1C 1722308084 FYOHOZYJVDGPBT-KRWDZBQOSA-N 427.549 4.762 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722314340 KUIIZCSHLKZVNN-UHFFFAOYSA-N 447.627 4.682 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1722340993 OULPUDKGBHXSPH-WXFUMESZSA-N 449.643 4.715 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@@H]1CCO[C@H](C)C1 1722344312 OBGLOMVLXWQFGD-IEBWSBKVSA-N 435.597 4.652 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](C)c1ccccc1 1722402574 WNVZRNXHAYLEAJ-GMKZXUHWSA-N 432.612 4.853 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722605326 DCNNGOMAPZCINP-AZUAARDMSA-N 431.625 4.717 30 10 IJEE C=CCCCCn1c(N2CCC(NC(=O)c3cc(C)oc3C)CC2)nnc1C(C)(C)C 1722611128 RMXBQEICUQMJLP-UHFFFAOYSA-N 427.593 4.541 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1722633188 DAIJPLFSVHJEMD-YBVWCTEOSA-N 430.980 4.899 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1722643649 VLTXYIQTUIFFRQ-CVDCTZTESA-N 426.605 4.838 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1722721677 KRFNVDVZWWYSLA-ICSRJNTNSA-N 434.506 4.615 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1722743233 VGTSQMLCZZZWJR-RBUKOAKNSA-N 432.659 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1740536153 ZWXSOEORKBZZIJ-OALUTQOASA-N 444.023 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCC1CC(OC(C)(C)C)C1 1740652556 DWROIPYMYGWYKT-UHFFFAOYSA-N 443.595 4.873 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)=C(C)C1 1740709653 QBHCJZCSLJRGGL-GOSISDBHSA-N 431.005 4.984 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740727900 FJVFUVBTZPSPNL-BMCPXHGSSA-N 430.955 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CCC)CCc1cccs1 1740758245 VMMKCBINSXYJEE-UGKGYDQZSA-N 437.613 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCSC1 1740775951 JJQAPNBHCVCIOI-XMMPIXPASA-N 444.645 4.559 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ncccc2C)CC1 1740832785 IIQKKDCXPXOLOB-FQEVSTJZSA-N 447.583 4.971 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1740864155 FXQRZFQRDCJCEA-XMMPIXPASA-N 430.600 4.725 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1740949064 CRHGZFDPUQJMEM-GOSISDBHSA-N 428.487 4.861 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCC 1741005167 TTXZJQOABCXHNI-ROUUACIJSA-N 437.654 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H](C)c1nccs1 1748639388 GGBXYSAWQBKNKQ-BZSNNMDCSA-N 439.585 4.535 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@](C)(C#N)C1 1748737046 VNPOOTGHVHDWLL-XMMPIXPASA-N 430.581 4.921 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(CC)CCCC1 1748888966 CNPZCOIGMCVZAJ-UHFFFAOYSA-N 434.584 4.786 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](C)N1CCCCC1 1749069433 YMFYEKDYCYKFHN-NBGIEHNGSA-N 440.035 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)s1 1749129249 BUEGEWKDBHAXOF-MDZRGWNJSA-N 437.009 4.505 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](C)SC)CC1 1749288049 KSYSWUPKNGTAFO-CQSZACIVSA-N 437.407 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(F)cc(C)c2C1 1749373313 LSLITYDIJAOJSC-UHFFFAOYSA-N 436.579 4.752 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@](C)(OC)C1 1749415420 PMSRQOQOEIMATO-NRFANRHFSA-N 449.393 4.688 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749689502 KFBGJFOBEQPAKS-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC2CC2)C1 1749701788 YQLSDLNBECSKNW-GOSISDBHSA-N 431.378 4.597 30 10 IJEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](CC)c1ccccc1 1752727914 DTMBFLDKKIKUJK-MSOLQXFVSA-N 430.556 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCCN1C1CC1 1760340835 PYONFFDZLFORON-HSZRJFAPSA-N 437.632 4.893 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1scnc1C 1760367127 DAPUXBHVRSQORH-UHFFFAOYSA-N 438.782 4.861 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(CC)C(C)C)CC1 1760405206 OTQGFPCHRHBEDP-UHFFFAOYSA-N 432.012 4.643 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCCC1(C)C 1760457730 FBGCFRYGCPONIH-OAQYLSRUSA-N 433.394 4.579 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1cccnc1)C(C)C)C1CC1 1760469716 MXJWGKRDNOMQEV-QFIPXVFZSA-N 432.528 4.843 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1Cc1csc(C)c1 1760478332 DEUJKEPRYUUGJS-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1 1761354504 GWYKADFSHMFTRK-GOSISDBHSA-N 444.564 4.625 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C1 1764331991 BZMPMMSCJNCYQB-XUZZJYLKSA-N 434.613 4.808 30 10 IJEE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729537 SXVZUCPKSSWDPJ-UHFFFAOYSA-N 439.368 4.657 30 10 IJEE N#Cc1c(NC(=O)CSc2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CCC2 1860809171 BVCCZWZVDMFYSC-UHFFFAOYSA-N 441.559 4.691 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861449256 JYEIQOLQVBWSMY-OAQYLSRUSA-N 426.605 4.942 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862462242 XVPQXAASHPXWMM-PRWKNARSSA-N 449.425 4.585 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CC)cc1OC 1862602745 JQHKNMWGHBSUCW-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 1862606586 VNLWQIKPNORDJV-JOCHJYFZSA-N 439.483 4.756 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 1862627426 MPPSGAPZVHAAHJ-JVJLVOBOSA-N 437.467 4.711 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 1862652016 DKRSCECTXWVZSJ-CRICUBBOSA-N 437.495 4.952 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2ccccc2c1 1862712582 UUSJTTSXURAROZ-HSZRJFAPSA-N 429.472 4.772 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862720126 WJHFNNUSGZRVOM-FQEVSTJZSA-N 437.879 4.806 30 10 IJEE CC[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1866759229 XYPIAUJSLJVYKE-DEOSSOPVSA-N 447.485 4.892 30 10 IJEE CCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867012030 TYTDORPOHOHDAH-DNQXCXABSA-N 433.552 4.764 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccc(C)cc2)n1 1867966444 XUQMQKSAFRMWPV-UHFFFAOYSA-N 425.580 4.957 30 10 IJEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868494201 BWGSNOXBHMLEFX-UHFFFAOYSA-N 446.986 4.809 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)C12CC3CC(CC(C3)C1)C2 1870113234 UNDLNKMFOPCBQE-UHFFFAOYSA-N 430.339 4.660 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(C)c1 1870145466 BGQGTFHAQHZZBU-UHFFFAOYSA-N 431.540 4.851 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1871008697 JIUVYINDYAGHBZ-UHFFFAOYSA-N 446.400 4.558 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1cccc(C)c1 1871186676 BYCSUIZLTVFQKC-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(CCCCCO)CO1 1871351859 DNIYOLOTIWRUGM-JAIQZWGSSA-N 434.319 4.924 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(C24C[C@H]5C[C@@H](CC(O)(C5)C2)C4)CO3)C1=O 1871353651 UHPHHWIASDGQBH-MGDPDBMJSA-N 443.543 4.847 30 10 IJEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3nc5ccccc5[nH]3)C4)C2=O)o1 1871355799 WINMBAXDOVGZJG-UUYOSTAYSA-N 441.487 4.784 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)C(Cl)(Cl)Cl)c3C)C2=O)cc1 1871363099 GNSVVMQYNQKGMD-DHDCSXOGSA-N 427.667 4.895 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1 1871394952 YZMMFUVQORYTKA-MYYYXRDXSA-N 427.500 4.965 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871407971 OLYPCOWVTISSJJ-GEWRUKCFSA-N 444.443 4.925 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c(C)c1 1871418605 BSRYSKFIXRQBSS-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)s1 1871444321 XRDOOHRJDIGZEI-VUFYJBQKSA-N 449.532 4.740 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1871755415 WAJDWVOMAGXGAJ-QHCPKHFHSA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1872368223 CDTVWUJYEGLUKN-LJQANCHMSA-N 442.915 4.602 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872512206 RKQCSSWHYCTVOF-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=CCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166610 STWPVTRVSFIWLL-UHFFFAOYSA-N 445.950 4.803 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(NCc3ccco3)ncnc21 1873623697 NRZOSIUZIWFJMV-UHFFFAOYSA-N 442.523 4.675 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636224 JKBVZJRVIMTRNK-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N(C)C)cc1)n2CC(C)C 1873656532 CMTCTMGAGWEXOJ-UHFFFAOYSA-N 432.572 4.584 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(CCCC)cc1)n2CCOC 1873657040 UPXFFKXAAQCWNN-UHFFFAOYSA-N 447.583 4.851 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(F)cc1 1874222436 QMKXBOXIADVYLM-BUVRLJJBSA-N 428.533 4.604 30 10 IJEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccn2C)c1 1874344314 HQHGBKRYATXUBI-KOEQRZSOSA-N 431.565 4.721 30 10 IJEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874389925 LLODRQFKQFDMRV-YDZHTSKRSA-N 430.961 4.929 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCC)c(OC)c1 1874412192 GXAMZOBEOVSWNZ-LPYMAVHISA-N 428.583 4.888 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)NCCC)cc1 1874439327 WCFUYYNQGMSYCC-PCLIKHOPSA-N 445.633 4.546 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874477068 HMKIDVSOHOMQQM-FYJGNVAPSA-N 440.485 4.612 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccs1 1874480165 LBPJUFAIAUOCNM-CAUNFOBBSA-N 427.599 4.534 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2cn(C)c3ccccc23)o1 1874519525 XEZRFVNVWQYPJI-WYMPLXKRSA-N 449.536 4.591 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)OCC(C)C 1874575259 DNJCQGJFOUTRLX-RMKNXTFCSA-N 447.871 4.731 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1F 1874707359 BLVLQSUUQAPHOF-VMPITWQZSA-N 426.465 4.949 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)c(OC)c1 1874715020 YXRXKZYCDCVOPQ-JLHYYAGUSA-N 433.416 4.727 30 10 IJEE COCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1875126849 YQIPPJYRAITMDY-FPYGCLRLSA-N 439.689 4.559 30 10 IJEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1875185927 VSUPNAUQYUMABZ-DHZHZOJOSA-N 440.536 4.766 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(CO)CC1)n2CC(C)C 1875211037 XPKLIYGEQNNLLT-UHFFFAOYSA-N 443.636 4.704 30 10 IJEE Cc1csc(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c1Br 1879735157 KPIRUJJYQIWYBF-KZULUSFZSA-N 426.185 4.517 30 10 IJEE C[C@@H](COc1cc(Br)cnc1C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1896153157 SYGJZVOMYRVZAS-HNNXBMFYSA-N 446.345 4.920 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CC1(NC(=O)OC(C)(C)C)CCOCC1)NCCC 1922119375 NOLGZQFSKQXKAV-JOCHJYFZSA-N 432.605 4.592 30 10 IJEE C#Cc1ccnc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1 1985621767 ZDXGAJAJOXGDQN-RUZDIDTESA-N 439.515 4.565 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079024437 DKNAVGQPXZBSCZ-BTZNOAQDSA-N 435.309 4.655 30 10 IJEE COc1ccc(Br)c(-c2cc(Cl)n3nc(C(F)(F)F)c(C#N)c3n2)c1 2081164802 CGYORHDRDPQEJD-UHFFFAOYSA-N 431.599 4.711 30 10 IJEE N#Cc1ccc(COc2c(Br)cc(Br)cc2Br)cn1 2104049839 ZAEKUDMZXHDULG-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1C#N)c1cccs1 2124722398 SCIGAHVGYAORNY-HNNXBMFYSA-N 436.331 4.587 30 10 IJEE C[C@@H]1CCCN(c2cc(Br)c(C#N)cc2F)[C@H]1CCNC(=O)OC(C)(C)C 2174765956 RXFKWIFKKNDRKK-DYVFJYSZSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(C#N)c(Br)c2F)CC12CCC2 2174811758 BYGDOQSPSZBACJ-CQSZACIVSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)C2(CCC2)C1 2174820399 YBFYBDAPNKCOKU-CQSZACIVSA-N 438.341 4.876 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2235720869 AHMKBHXUMGUBJX-VQTJNVASSA-N 435.406 4.862 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 2255617501 VNPGXXBPLGXTJS-JLSDUUJJSA-N 430.354 4.693 30 10 IJEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2267520205 LYOSTUSQOVYQDE-LJQANCHMSA-N 437.389 4.681 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2273825783 ZHPJCTKAOSFHMS-ROUUACIJSA-N 429.374 4.968 30 10 IJEE C=CCC1([C@H](NCC)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2281447773 PTVRYNMDRKOAAD-GOSISDBHSA-N 439.394 4.922 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C 2296288140 CNOVSNQLONGXTP-FFZOFVMBSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2296297934 DXAHYQIOKIQDRX-VQTJNVASSA-N 435.406 4.862 30 10 IJEE COc1cc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2ccccc2)ccc1O 2296917071 FIPNWKDLZYPFQW-XMMPIXPASA-N 427.456 4.583 30 10 IJEE COc1ccccc1OCc1nnc(S)n1N=Cc1ccccc1OCc1ccccc1 2322104177 JNRJKPAPHBKRKS-UHFFFAOYSA-N 446.532 4.616 30 10 IJEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1 2323186765 CNGDSQXQGMJCTF-UHFFFAOYSA-N 443.499 4.934 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(OC)c2)c1 2323511076 PBNDLTCBHRRBKA-IBGZPJMESA-N 445.515 4.856 30 10 IJEE CCOc1ccc(CCNC(=O)C(=O)C=Cc2ccc(Cl)cc2Cl)cc1OCC 2325712676 NTCUBGJZNNKRSY-UHFFFAOYSA-N 436.335 4.732 30 10 IJEE CCN(CC)Cc1ccc(COC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)cc1 2325724119 GZOIPLWBQICISV-UHFFFAOYSA-N 448.332 4.756 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)Cc1ccc(F)cc1 2325744630 PMDQWWODADMCOD-UHFFFAOYSA-N 448.446 4.650 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1C(F)(F)F 2326811174 PXESVIIFOBLMAN-UHFFFAOYSA-N 435.431 4.942 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2327202823 ZBCHAVJMDSFNCR-UHFFFAOYSA-N 437.525 4.667 30 10 IJEE CC(C)(C)N1C[C@@H](c2nnc(SCc3ccccc3)n2N=Cc2ccccc2)CC1=O 2327863632 OKLOMPRDXSZCOW-FQEVSTJZSA-N 433.581 4.567 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328567158 XWCWZEVCPUQTMG-UHFFFAOYSA-N 437.525 4.726 30 10 IJEE C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2329926212 TXXDPNZXOKGEDM-JTSKRJEESA-N 444.531 4.868 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccccc1 2330019623 AWAGPSRCVWVYKF-UHFFFAOYSA-N 449.624 4.800 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1ccc(Br)cc1 2330131472 ONPFKICUBSFRJW-OAHLLOKOSA-N 445.386 4.549 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1ccc(Cl)cc1 2330376039 ZZFLHVNZHPZIGG-VXKWHMMOSA-N 435.008 4.572 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccco1 2330833634 ZLJKBUVYQMBFEA-UHFFFAOYSA-N 425.558 4.690 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1C1CCCC1 2331046959 JLQRGOLUVCNORP-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(C)cc1 2331115574 QDFZTWTWHMSZSU-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1Cl 2331340055 PYQBBFXTAOGCIB-UHFFFAOYSA-N 434.009 4.697 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(C)cc1 2331350725 OIFKMQIFDJNSLO-LJQANCHMSA-N 435.597 4.781 30 10 IJEE CC#CCN(C[C@@H](NCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2337907400 OGEZLWUVEPQOSP-MRXNPFEDSA-N 431.321 4.638 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2cc(F)cc(Br)c2)OC1(C)C 2339442674 GCTIWYQPEKHVGX-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC(Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2339539717 LXAXOEFYZHGKEL-UHFFFAOYSA-N 441.381 4.538 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339585070 JQNASICSKKCQQZ-SDNWHVSQSA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587997 BHWLWEIKIRNMFX-NUPXTWTDSA-N 443.397 4.832 30 10 IJEE CC(C)=C(CN1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2340334087 KVSHDDLVJBUDCA-AHCIIZGASA-N 436.449 4.797 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)CC1 2362583200 TYCFTNQURIFLHJ-BPXKWBHBSA-N 435.406 4.862 30 10 IJEE C=CCOc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC 16694361 FVBVYAFBZSBRCQ-WQRHYEAKSA-N 427.298 4.829 30 10 IJEE C=CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OCC 21725611 YOBVABCLCUHUJH-MRXNPFEDSA-N 446.532 4.920 30 10 IJEE C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 22644610 FUVJJOHBYFKRJB-INIZCTEOSA-N 430.529 4.888 30 10 IJEE CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)NC1=S 33286678 BFOJRSPDTVQJRR-RQZCQDPDSA-N 432.332 4.522 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CN3C(=O)C(C)(C)Oc4ccc(Cl)cc43)c2C#N)C1 71512570 MIIORPNVEKVBBG-GFCCVEGCSA-N 443.956 4.541 30 10 IJEE CCN(CC)c1ccc(/C=C2/CCC(/C=N/Cc3ccncc3)=C2N2CCOCC2)cc1 89969219 HVMKTNUVAYZHMS-JIGWDGLRSA-N 430.596 4.962 30 10 IJEE CN/C(=N\c1cccc(C(F)(F)F)c1)S[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 105535087 HVPUCJSSDAQUSO-KRWDZBQOSA-N 435.471 4.594 30 10 IJEE C[C@H](Oc1cccc(C#N)c1)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 110633317 XEWIKURAMAZWJO-FQEVSTJZSA-N 436.515 4.554 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2OC)cc1 169939710 IAAHIZYRNNQWDB-NRFANRHFSA-N 435.501 4.544 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 169975120 MJIDCDZJUQPVGA-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2F)s1 170073051 FIQDJTIBKZQDFI-GOSISDBHSA-N 448.479 4.558 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(O)cc1 170133272 LAUQCYBXAYRLNG-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1Cl 170184837 OLYQVDDACKGLNT-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)c1 170190092 SJYSZMILJUJKHX-QHCPKHFHSA-N 444.487 4.666 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)c1 170227681 JMFXNGFCADTYIO-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)cc1 170228580 MOUGUTFNPFPZHY-XMMPIXPASA-N 436.467 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170241411 HVJKVZZHSFKSIS-JOCHJYFZSA-N 428.419 4.745 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC)cc1 170266878 NBERSOMRNRBMEP-XMMPIXPASA-N 433.548 4.743 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2C)cc1 170270555 DRVNLEQBORGFAN-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccco2)cc1 170279437 MNMBVXOIWMWDGJ-QHCPKHFHSA-N 446.503 4.916 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)c(OCC)c1 170286245 FLTGTXFEERKIFF-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc1 170536774 ZYEJKJZYZFJJEB-UHFFFAOYSA-N 425.492 4.652 30 10 IJEE COc1ccc(-c2ccc(C#N)c(S[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)n2)cc1 261526648 FUVBMYXQSWGYIY-HXUWFJFHSA-N 449.919 4.706 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@@H]1CCCO1 461055599 JZEXIRYJVFPRAW-SDHOMARFSA-N 444.579 4.895 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1nc(N)c2c(C)c(C)sc2n1 489640707 BETKNTFYDJKUMH-UHFFFAOYSA-N 438.582 4.539 30 10 IJEE COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC(C)(C#N)CC2)c(OC)c1 507838674 RITKEACVCBVTMW-UHFFFAOYSA-N 431.536 4.937 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508463586 HWHSDBORAIESPD-MJGOQNOKSA-N 432.503 4.544 30 10 IJEE COc1cccc([C@@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526520624 IFUGVFWYASHMPO-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(SCc3ccco3)C2=O)c1 526665915 HOCFKCZUBUHOPO-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526811770 RSOJZHCYLYRWFL-UUYOSTAYSA-N 425.514 4.549 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccccc1C(F)(F)F 526826911 CQSNSTKGKFDZBS-ROTLSHHCSA-N 448.470 4.820 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1OCC 526828233 BVRBBBVWJZBSEM-QRVIBDJDSA-N 441.513 4.548 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)CC2)cc1 540106644 PMDVCZLYRGRLLP-UHFFFAOYSA-N 437.421 4.977 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc([C@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)c1 547062139 BDQHUELREDMTNI-IRXDYDNUSA-N 429.398 4.822 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 555255068 ARSGRNFJPBLCFP-FQEVSTJZSA-N 444.482 4.910 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 569133638 JNTURPWPEUXGTL-HSZRJFAPSA-N 436.531 4.501 30 10 IJEE C=CCN(CCCOc1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586132566 LTZSUDIEQBGDMU-UHFFFAOYSA-N 430.353 4.648 30 10 IJEE N#Cc1cccc(CN(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 586208571 LRDPFNZOFGWFLT-UHFFFAOYSA-N 427.323 4.716 30 10 IJEE CCCCC1CCC(C(=O)NC2CCC(OS(=O)(=O)c3ccc(F)cc3)CC2)CC1 586507680 OAMIWUWLDXANJX-UHFFFAOYSA-N 439.593 4.955 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cccc(C#N)c1 610366705 RPSJDIALHANMTO-VLIAUNLRSA-N 432.351 4.887 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)[C@H]2CCCN[C@H]2C1(C)C 703233705 HOCHMYFQCDKITP-CSODHUTKSA-N 434.378 4.861 30 10 IJEE COc1ccc(Oc2ccc(C#N)cc2Br)cc1I 712931431 TVAXCCRUYZEBDX-UHFFFAOYSA-N 430.039 4.726 30 10 IJEE O=C1/C(=C\c2cnn3ccccc23)CN(Cc2ccccc2)C/C1=C/c1cnn2ccccc12 729641430 HUAVECZFDHBKCS-MQDDAKQZSA-N 445.526 4.534 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1F 733200094 AMFNACJACBCIPZ-FQEVSTJZSA-N 441.503 4.565 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2oc3ccccc3c2C)C1=O 734300600 STJATCMLFLYPBQ-NRFANRHFSA-N 435.549 4.626 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 742215531 YWYRCBZPXXGSRM-IBGZPJMESA-N 443.931 4.853 30 10 IJEE COc1cc(C#N)cc(Cl)c1OC(=O)Cn1c(-c2scnc2C)nc2ccccc21 744353937 LLURTUOWUHVCAY-UHFFFAOYSA-N 438.896 4.608 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1C)c1ccc(Cl)cc1 810472199 FYFIQAAUYVJGGZ-JOCHJYFZSA-N 432.907 4.657 30 10 IJEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 1084039634 NDDWIKCKOCIREK-UHFFFAOYSA-N 443.912 4.820 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccn1-c1cccc(I)c1 1124813041 XEWFSKVPPYTHNY-UHFFFAOYSA-N 442.300 4.910 30 10 IJEE CC1(C(=O)NCCc2c(F)cccc2Cl)CCN(c2ccc(Cl)cc2C#N)CC1 1126872604 FXSWIQYCBAWBQP-UHFFFAOYSA-N 434.342 4.970 30 10 IJEE C=CCCOCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br 1130353144 CMZLWIKVXQAVFZ-UHFFFAOYSA-N 431.124 4.752 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2ccc3c(c2)CC(C)(C)O3)nnc1-c1ccco1 1130945220 ZCUUNNCYJLHRQF-UHFFFAOYSA-N 439.537 4.663 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 1136339360 ATYOFHRMTRUOPU-OAQYLSRUSA-N 443.588 4.747 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)C(C)C 1144197129 FESNLMOMIYNNKB-HSZRJFAPSA-N 441.616 4.803 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 1158884343 TVJAVROJNGDJTG-RHSMWYFYSA-N 434.968 4.985 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCc2ccc(Br)cc2)c(OC)c1 1202483042 FAYTVVFUCFRPLO-UXHICEINSA-N 432.358 4.860 30 10 IJEE CC[C@@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1210942019 GWYLJYDCJBTTHB-CQSZACIVSA-N 426.460 4.541 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC 1211744192 QRBSOZBQDNAAEP-UHFFFAOYSA-N 428.337 4.547 30 10 IJEE N#Cc1cccc(CNC(=O)Nc2nc(Cc3ccccc3Br)cs2)c1 1216109899 CWHHZNWPXGVYCJ-UHFFFAOYSA-N 427.327 4.690 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(Sc2ccc(OC)cc2)ns1)c1ccc(Cl)cc1 1218985231 LKKARHRQHBCPAS-MRXNPFEDSA-N 430.942 4.847 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1cccc(C(F)(F)F)n1 1219084575 RDFIGHVTEIUUOP-UHFFFAOYSA-N 444.251 4.792 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1230488763 CHPVDUMZBZMUAQ-WOJBJXKFSA-N 439.943 4.680 30 10 IJEE C=CCOc1ccc(COC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 1268826620 PVXQMTYSLYMQFB-UHFFFAOYSA-N 428.488 4.924 30 10 IJEE C#C[C@H](NC(=O)c1c(C)ccc(F)c1Br)c1ccc(Br)cc1 1275475555 ZOINRXPZODUKJW-AWEZNQCLSA-N 425.095 4.763 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 1286318661 VRRDDNXUOGXXSB-VQTJNVASSA-N 445.007 4.965 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(Cl)nc1 1286515400 IQQYYAOBVPQYFE-JOCHJYFZSA-N 443.885 4.635 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC1(SC)CC1 1286517520 IHGMUXBTIXDWNI-QGZVFWFLSA-N 437.432 4.657 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCCSC 1286535445 IOWVJUXPYKETGN-CQSZACIVSA-N 443.386 4.655 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 1286593091 BZQALSHTKFJORZ-LJQANCHMSA-N 448.514 4.875 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@](C)(O)c2cccs2)CC1 1286649072 ISLWFMMCGHZBCX-DEOSSOPVSA-N 438.597 4.545 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(C(C)(C)C)CC1 1286716163 IFZSAQSVBLKZFS-NHCUHLMSSA-N 430.637 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cc(C)oc1C 1286747896 OTVDKIVZQHWVOB-HSZRJFAPSA-N 437.569 4.645 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1286831659 BSUOJTITJKELRT-OAQYLSRUSA-N 439.673 4.956 30 10 IJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 1288552557 AXVYPTASKPBCKP-SFHVURJKSA-N 437.378 4.659 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 1290672552 GWSPHYMIRAYYNT-QHCPKHFHSA-N 437.948 4.656 30 10 IJEE Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1-c1ccccc1Br 1293837036 HTKXXRBINSPHAS-WIYYLYMNSA-N 449.352 4.855 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC1CCC(OC)CC1 1300439371 CLXHOSULSJPKDR-UHFFFAOYSA-N 449.368 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC=CCC1 1300561141 MBBSFZKRWDJGMA-KRWDZBQOSA-N 441.348 4.666 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H]1CCCCO1 1300602353 CHSBDIWYQMTXSQ-HXUWFJFHSA-N 435.597 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1Cc1c(CC)nn(C)c1CC 1300787598 MAZPAAPWZUDWME-JIPXPUAJSA-N 444.627 4.719 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC(C)C)C(C)C 1300877981 YZTGCHZTZPBHOL-REWPJTCUSA-N 440.588 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1300944349 LIMDSMVTDQPMBM-HXUWFJFHSA-N 439.604 4.913 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1301145703 DXGBUUOKXPIZEJ-JOCHJYFZSA-N 432.616 4.834 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC=C(c2ccccc2)C1 1301173904 LXLCMVDYXVWIFD-UHFFFAOYSA-N 428.540 4.575 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1301196845 KSALCPJQUJUXBQ-IAGOWNOFSA-N 430.984 4.661 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301202478 KIKHCFVILYJOFJ-RVKKMQEKSA-N 442.457 4.679 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC=C(C)C)C1CC1 1301327729 VTGXZGABYRBZSQ-UHFFFAOYSA-N 429.609 4.904 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C 1301366290 AQPYQGJVSJHFEL-FUPPJEDESA-N 439.673 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccccc1-n1nc(C)cc1C 1301374961 HQHZJXVNXJTGJL-UHFFFAOYSA-N 428.540 4.876 30 10 IJEE C#CCOc1ccc(NC(=O)Nc2cnn(-c3cc(F)c(OC)cc3F)c2CCC)cc1 1310302416 AQAFHWIRELFNMQ-UHFFFAOYSA-N 440.450 4.768 30 10 IJEE CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1313625714 DKKPLBZEIRINSO-QFIPXVFZSA-N 432.572 4.729 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nnc(COc4ccccc4-c4ccccc4)o3)cc2C1=O 1326963007 ZNNRMCRNKILBQF-UHFFFAOYSA-N 437.455 4.765 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1 1350826208 LTCFVVUVDLNHLY-IBGZPJMESA-N 430.504 4.562 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1ccnc(Oc2ccccc2F)c1 1358985289 UXXPPHMRYXFQPM-IBGZPJMESA-N 431.515 4.629 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1c(C)sc(C)c1Br 1359004312 RMTPJZNGDHOZPQ-UHFFFAOYSA-N 433.375 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)[C@@H](C)CC 1359065703 YYFPRWSSXHYVTH-RXFWQSSRSA-N 430.600 4.524 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc2ccccc2[nH]1 1359085893 COJXGOHOSADQOG-UHFFFAOYSA-N 442.386 4.957 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C)C1 1359096035 WBAQEFCGDXNVCE-LEDOBFOHSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCN(C2CC2)C1 1359116719 WEJLARVUZXYHER-FQEVSTJZSA-N 425.646 4.766 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1359176797 OIBURTGSDOZXDB-UHFFFAOYSA-N 447.583 4.978 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359272898 GRPVSJPSNHJVPN-NHCUHLMSSA-N 439.623 4.943 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1359340751 YEZQSPVLVZASJK-UHFFFAOYSA-N 435.597 4.616 30 10 IJEE C#CCN(C(=O)Cc1ccc(OCC=C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1435176434 UUKHEJJOEJLRRH-OAQYLSRUSA-N 440.337 4.542 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl 1436095118 KKXYMBCWVKGSQP-QGZVFWFLSA-N 432.973 4.736 30 10 IJEE C=CCCOCCCCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 1437546119 CTIGIEOKOYGPST-FGZHOGPDSA-N 430.589 4.659 30 10 IJEE C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1453717435 PQEMOOAMWIQSKY-UHFFFAOYSA-N 427.353 4.751 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)Cc2nc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1457716206 ZXUJXAJURILNLD-WAIKUNEKSA-N 429.586 4.689 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(OCC#N)cc3)c2C(=O)OC(C)(C)C)C1 1459942388 BDMUCGYCFJMTTA-OAHLLOKOSA-N 440.565 4.912 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn2c(C(F)F)cc(C)nc12 1460779969 BONROMZCKVTMAA-UHFFFAOYSA-N 437.244 4.555 30 10 IJEE C#Cc1cccc(CNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)c1 1463877521 SULLJOKGFWPWKM-UHFFFAOYSA-N 426.335 4.576 30 10 IJEE Cn1c(O)nc2ncc(-c3cccc(C(=O)N[C@H](C#N)c4ccc(C(C)(C)C)cc4)c3)cc21 1464905941 GFNGEPHRKIVMCX-OAQYLSRUSA-N 439.519 4.633 30 10 IJEE C#CCN(C(=O)Nc1c(C)cc(C)nc1C)[C@H]1CCOc2ccc(Br)cc21 1466754950 JZDKSEHBCFUHRL-SFHVURJKSA-N 428.330 4.760 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)CCCN1C(=O)OC(C)(C)C 1467465015 WBZWMCAUSMZMHZ-STWLZBDKSA-N 444.572 4.653 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1 1472406908 HMMGSEWFIWCCQB-RTBURBONSA-N 432.609 4.594 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1F 1474870300 AZQHXPSTZSNXQX-UHFFFAOYSA-N 426.435 4.506 30 10 IJEE C[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 1478416038 CNOLOSHBAKEMPQ-HOYKHHGWSA-N 442.519 4.706 30 10 IJEE Fc1ccccc1OCc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C1CC1 1505312197 FURRKWZYFRTDOL-UHFFFAOYSA-N 438.347 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@@H]1C(=C)C 1507546289 PWHAWEVFUKFCTR-GCKMJXCFSA-N 449.382 4.603 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OC(C)C)nc1 1507546550 KSDWPEHGBWDCHI-LJQANCHMSA-N 435.597 4.567 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1507555316 MDRQMGCEEAKRAQ-UYAOXDASSA-N 440.588 4.789 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(CC)C(C)C 1507642040 OHMLKHRUTUBOTB-UHFFFAOYSA-N 440.016 4.616 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1507681908 GCOHSAPRVRBBRE-IRLDBZIGSA-N 435.959 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1507795798 KELQMFAORQGBCG-HQRMLTQVSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507796918 BXXHMMFHEYWOJG-WIYYLYMNSA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)CN1CCCC1 1507817093 MZNRXOGBHGIITO-UHFFFAOYSA-N 434.632 4.961 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC=C(COC)CC1 1507871660 XGTICSGUEZFTAO-UHFFFAOYSA-N 430.980 4.824 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2ccc(CC)o2)nnc1[C@@]1(OC(C)C)CCOC1 1507875144 NVUPVSQTXFGMIT-PGRDOPGGSA-N 434.968 4.568 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCNc2ccccn2)CC1 1507892678 WWYSFQBOYVJDEP-UHFFFAOYSA-N 434.613 4.932 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccccc2Cl)CC1 1507904149 KQDLTBWLRJWFBY-UHFFFAOYSA-N 428.005 4.932 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1c(C)nn(C)c1C 1507945641 JFCCIHUVGHYXHK-UHFFFAOYSA-N 431.544 4.553 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCN1CCC(C)CC1)C1CC1 1507989086 WLBOSJHMMQTXIZ-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)c1ccco1 1508015228 OEMWZHHKYMBWLP-BXKMTCNYSA-N 438.597 4.811 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccnc(SC)c1 1508034016 SCWLAZDLNCBOFX-UHFFFAOYSA-N 425.602 4.860 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2ccc(F)cc2)C1 1508113843 AYVUGTBJOKDGAZ-UZLBHIALSA-N 441.938 4.718 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C(C)(C)C)cc1 1523246950 VFWDYXPXKBZJKZ-SFHVURJKSA-N 442.506 4.710 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cccc(OCc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1526088342 QSOBIOJDVRBIQE-SANMLTNESA-N 435.520 4.964 30 10 IJEE C=CCc1ccc(OC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c(OC)c1 1529604384 NBAUZTJIXHZZTB-LJQANCHMSA-N 429.488 4.777 30 10 IJEE Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n(C2CCOCC2)n1 1529882319 AVVRIEQZVBWFHZ-OAHLLOKOSA-N 426.586 4.880 30 10 IJEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)CCCC1 1532538144 GQQCGDNLQXJSQC-LJQANCHMSA-N 438.593 4.693 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(Br)cc2C)nnc1-c1ccco1 1535633204 BSOLFWFTRMHKAV-UHFFFAOYSA-N 448.342 4.883 30 10 IJEE C=C/C=C/CCNC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2)ccc1Cl 1536823947 ZTVRRBQOULERKY-AATRIKPKSA-N 430.957 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC(C)C)CC1 1539011518 FXRZYTXHCQEUAS-IBGZPJMESA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c(N(C)Cc2ccc(F)c(Cl)c2)nnc1[C@]1(OC(C)C)CCOC1 1539087686 XLWSXLYDVLQLRN-QHCPKHFHSA-N 448.970 4.551 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1cc(Br)cs1 1539351699 DOTGEFBAHHLLEO-UHFFFAOYSA-N 429.387 4.839 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1539499119 DTNHBMSDIYSNOO-UXHICEINSA-N 439.673 4.528 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1539875027 NZFPHQSYCYTBFJ-VWLOTQADSA-N 442.604 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539910983 SAGYKMXKNKAUIX-FQEVSTJZSA-N 449.603 4.606 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1539963130 LONMHTUEOMAVBO-JOCHJYFZSA-N 443.636 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCO[C@H]1CCCC[C@@H]1C 1540142599 MQGNHXZGQCQJGU-RXVVDRJESA-N 440.617 4.528 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccco1 1540332891 OAGNSVUMTREONK-XMMPIXPASA-N 430.504 4.769 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540855373 PGNAZHWGEKWTGT-HNNXBMFYSA-N 439.551 4.534 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2cccc(C)c2)C1 1540887134 QMRYDIDLTIKYAD-GHTZIAJQSA-N 437.975 4.887 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1540916029 RHSUPAGXPDRCLS-RBBKRZOGSA-N 442.629 4.832 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1541806147 FYOMYUGJGDDHFO-GHTZIAJQSA-N 441.551 4.616 30 10 IJEE C=CCn1c(SCc2cc(O)cc(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 1559333103 FYIMFACXUOBMQT-SFHVURJKSA-N 449.454 4.993 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](COCc3ccccc3)C2)n(C2CCCCC2)c1C 1559564571 AZZPRQCOFZZNQY-HSZRJFAPSA-N 448.611 4.959 30 10 IJEE CCN(CCC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1)CC(C)C 1559674293 HFRLBXFJYQTFFD-UHFFFAOYSA-N 444.689 4.907 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)ccc1C(F)(F)F 1561495057 CJEUNCXULCXGEH-UHFFFAOYSA-N 428.863 4.799 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@H](COCCC)Cc2cccc(Br)c2)cc1 1562371052 UEEOGZQOANAKQI-FQEVSTJZSA-N 445.357 4.621 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(F)cc1OC1CCOCC1)c1ccc(Br)cc1 1562782848 VFPMHLSYRWTUTQ-GOSISDBHSA-N 447.304 4.642 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 1565627243 FEQNPBFXSTYQEX-UHFFFAOYSA-N 428.580 4.926 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)C1 1570662104 QROIPOPSJCYICV-CQSZACIVSA-N 437.396 4.626 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCCCc3cc(OC)c(OC)cc32)cc1OC 1583469718 FDYKRMUEXRZMEP-BUVUWQSRSA-N 437.536 4.874 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1583750164 JGLPAWVCVUSSQD-XXBNENTESA-N 434.964 4.666 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 1584070756 AUSRUTFAEDMBAM-GOSISDBHSA-N 429.973 4.539 30 10 IJEE CCOC(=O)c1c(NC(=O)Cc2sc(SC3CCCC3)nc2C)c(C#N)cn1CC 1585297736 HVKPBJYRZVHJQF-UHFFFAOYSA-N 446.598 4.537 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1587807565 GMPIAMKVYUATSF-KRWDZBQOSA-N 448.489 4.929 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ncc(CC)s1 1588451662 DNJMPUAUCBSUCT-UHFFFAOYSA-N 432.018 4.751 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCOC[C@H]1C 1589625312 AWUJCRPTGOEFRM-CTNGQTDRSA-N 442.604 4.816 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1593889100 ATJOAZFSAVENSY-UHFFFAOYSA-N 440.032 4.703 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1594478101 NJDRWVBSLCEOCI-UHFFFAOYSA-N 441.595 4.770 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Br)o1 1594697774 GYUNYHUJUDEPRO-UHFFFAOYSA-N 436.741 4.952 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1595094072 MCMKAYHARSZJGT-HJOGWXRNSA-N 449.599 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H]1C(C)C 1595149651 RFBXVGJAWAEIIJ-RXVVDRJESA-N 425.602 4.599 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCCC1(C)C 1595178817 PKRHUYDDEABJDX-QFIPXVFZSA-N 445.405 4.827 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C)c(C)s1 1595179103 XRDJARRNAPXIJJ-MRXNPFEDSA-N 427.549 4.857 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccsc1Br 1595191344 PULQZAAHRRTOGI-UHFFFAOYSA-N 440.370 4.867 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 1596169818 PRDVGBAGULGPJJ-GJZGRUSLSA-N 438.849 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 1618172417 AGRFNJZBPDDHQW-LIRRHRJNSA-N 433.371 4.706 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C2 1623918927 HULIAYJBAWJVSJ-CQSZACIVSA-N 448.392 4.592 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1623968750 CJSGXZXKRMFXIS-AWEZNQCLSA-N 440.443 4.822 30 10 IJEE CC(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1624848703 GEAGKWLXFXPNLO-GOSISDBHSA-N 436.581 4.726 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 1626632442 ZPNARIFBNCYRLY-OAQYLSRUSA-N 426.601 4.829 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3C[C@H](C(=O)OC(C)(C)C)c4ccccc43)cc2n1 1627664109 CZWAGAWYUQBCNV-RBBKRZOGSA-N 432.524 4.914 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)s1 1631635988 GAVXAZWHOQRGTK-GOSISDBHSA-N 437.030 4.638 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 1633039953 HRDLGGLYXLLWBY-UHFFFAOYSA-N 437.565 4.643 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(=O)OCC 1636821319 FSUIQRAWAAREDC-AZUAARDMSA-N 446.341 4.583 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H]1CN(C2CCCCC2)C(=O)O1 1641675381 KIPBJTUFATVWQC-SFHVURJKSA-N 425.342 4.730 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)Cc2nc3cc(S(=O)(=O)CC)ccc3o2)c1 1642247231 SWWCZNBXQIGKLP-UHFFFAOYSA-N 430.529 4.810 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3c(Cl)cccc32)n(Cc2ccc(F)cc2)c1C 1644869121 ADLKPIHOBKCHAD-UHFFFAOYSA-N 436.918 4.819 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOCC1CCC1 1645917699 DHMOQSUURIHHPF-DEOSSOPVSA-N 434.536 4.708 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(O)nc2c(Br)cccc12)c1ccccc1 1646627248 ZXBORRPIACGRMG-SANMLTNESA-N 431.311 4.556 30 10 IJEE C=CCOc1ccc(CNS(=O)(=O)c2ccc3ccccc3c2Br)cc1 1655292465 QOJYFVXFMCAPDM-UHFFFAOYSA-N 432.339 4.646 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(c3ccc(C#N)c(Br)c3F)C[C@]2(C)C1 1655729961 KGGXREUAXDRIJW-BGYRXZFFSA-N 438.341 4.543 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C)c(Br)c1 1656154834 YOUPMRQLGYHHAN-UHFFFAOYSA-N 435.435 4.856 30 10 IJEE N#Cc1ccc(CN2CCC(NCc3ccc(C(=O)OCc4ccccc4)cc3)CC2)cc1 1656356686 GVZJPRBPPOMYOF-UHFFFAOYSA-N 439.559 4.669 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC)c1ccc(Cl)cc1 1659720714 HODFMQJZJOUASR-FQEVSTJZSA-N 439.943 4.861 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1)c1ccc(Cl)cc1 1662829245 CKBGAQWAVHMXHF-FQEVSTJZSA-N 425.916 4.613 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 1663299122 LVJIYGUBOVJELB-UHFFFAOYSA-N 433.320 4.846 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 1665005495 CLNNTZVGNJJRSQ-XHDPSFHLSA-N 426.298 4.881 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 1665468284 AUJKDLFTESGEIS-CADBVGFASA-N 441.572 4.822 30 10 IJEE C[C@@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)no1)c1ccc(-c2cccc(C#N)c2)cc1 1671555833 IFKVULJHMGSDKV-CHWSQXEVSA-N 429.402 4.748 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 1672708516 OWOGRIKUKSRXMK-KRWDZBQOSA-N 435.293 4.838 30 10 IJEE C#CCN(C(=O)NCc1ccc(OCCN(CC)CC)cc1)[C@H]1CCCc2ccccc21 1673959412 DPSPMCNFSKDJCA-SANMLTNESA-N 433.596 4.630 30 10 IJEE C#C[C@@H](NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 1674020311 HUWYAEAXQKFIDL-MOPGFXCFSA-N 433.733 4.560 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 1679595135 KRFZLFPOYMVBRZ-AVRDEDQJSA-N 448.535 4.598 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccccc2Br)CC1)c1ccc(Cl)cc1F 1684892133 KOCAFDLVCCXKGZ-SFHVURJKSA-N 435.724 4.947 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](C)OC(C)(C)C1 1690161873 TWRNHIOSHRYHCU-SJORKVTESA-N 444.670 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccc(F)cc1 1690246126 RCIFAUWFFCPILP-HJNYFJLDSA-N 428.552 4.667 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 1690300698 IKVNOJBUXJWTCE-RBUKOAKNSA-N 448.995 4.506 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCCCC2)C1 1690319749 XRJUKECSVJKHQB-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1690328190 HBOHHQLXQBKAEP-IRXDYDNUSA-N 434.968 4.573 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](OC)c2ccccc2)CC1 1690366267 VHJUAFRUXPEDIY-IBGZPJMESA-N 442.361 4.580 30 10 IJEE C=C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690378835 DUEJKJQRATUEQP-DEOSSOPVSA-N 434.632 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@H]1C 1690420056 JAYAJDZEJCCQLV-CQSZACIVSA-N 438.439 4.590 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1nc2c(s1)C[C@H](C)CC2 1690450036 YFZVHDKUEMXEOF-MOPGFXCFSA-N 443.661 4.984 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1690462363 FEADYYYHGHYREL-OAQYLSRUSA-N 440.563 4.767 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCCN1CCC(C)CC1 1690518447 KAJZZKVKZIMWEQ-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@H](C)C1 1690556096 MSFRZMFGPCTNHP-NZQKXSOJSA-N 431.584 4.901 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)cs1 1694592906 CKDCSDNCHJKBSP-LJQANCHMSA-N 438.601 4.533 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(C)nn(C)c1C 1705480521 WDOFOWFVEIVGCS-CYBMUJFWSA-N 438.988 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1nnc(C)s1 1705481455 GPYHEGBHPWYGMN-HNNXBMFYSA-N 440.642 4.526 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC)C1 1705510418 PWOSUBFAWYXKOA-GHTZIAJQSA-N 430.980 4.880 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccco1 1705510908 BXDVIGYIYRYCMW-UHFFFAOYSA-N 431.309 4.880 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1705528332 CMAQSGOJVDEZFP-UHFFFAOYSA-N 448.489 4.855 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCC(C)CC1 1705604063 DQNCSOUHAABOQK-IQJRZOLZSA-N 428.552 4.612 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccsc1 1705665715 BPKXVPGFLNLQSE-IBGZPJMESA-N 442.585 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C(F)(F)F 1705672400 WNECTFAOURACCM-JOCHJYFZSA-N 442.489 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@H](c1ccco1)N1CCCC1 1705713500 IKJAZOYBFACAGC-OAQYLSRUSA-N 435.572 4.786 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C2CCC1(C)CC2 1705748667 WDDAHMDTVGKELQ-UHFFFAOYSA-N 437.769 4.990 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(O)c2ccsc2)CC1 1705764565 DPACBBKGZXTAST-QFIPXVFZSA-N 446.523 4.672 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@H](C)C2)CC1 1705771681 BJUABXAASAYIRJ-MOPGFXCFSA-N 428.602 4.551 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nnc(C(C)(C)C)s2)CC1 1705772078 MIRGKKGGVDVVAO-SJLPKXTDSA-N 444.649 4.550 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccccc1 1705787290 NLWWLLHIKAWNPL-FQEVSTJZSA-N 430.556 4.869 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(C)OCCc2sccc21 1705834050 CGVBTNRYLCGLEP-MWTRTKDXSA-N 442.560 4.729 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)CC1)C(C)C 1705867929 XZJNIMFDDMFIDW-DEOSSOPVSA-N 432.616 4.752 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@H]1OCCC1(C)C 1705880048 SIIDEOWWZDLUKO-HXUWFJFHSA-N 426.586 4.574 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccsc1 1705947351 IPUFHUDJQNPTFP-SFHVURJKSA-N 431.656 4.956 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CC1 1708140444 AFCJYUOAEFKOAW-ZJSXRUAMSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722340039 KVGGBHXEVWUBAK-GHTZIAJQSA-N 433.383 4.599 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H](OCC)C(C)C 1722467853 HLYPVZOMIKRIMD-ZEQKJWHPSA-N 446.599 4.779 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@@H](OC)C(C)(C)C 1722475863 YBJMDFKXJJSQBE-HYBUGGRVSA-N 442.629 4.632 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCn2nc(C)cc2C)CC1 1722583070 RAXAAVFHNQQODN-UHFFFAOYSA-N 448.615 4.780 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1722627285 JXOVWOOYGRIDFL-QFIPXVFZSA-N 445.007 4.742 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCCN1CCCCC1)C1CC1 1722647372 SSSSENDHDBSXGL-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1722653532 GNOMGMHZDVSJQS-MOPGFXCFSA-N 444.023 4.786 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C 1722662844 OMZVWQSTTIGBOG-LJQANCHMSA-N 426.436 4.999 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1729861841 BQUDPACUXCJEDB-OXQOHEQNSA-N 445.995 4.873 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1740642339 OTMJRGLAWWNPSG-FQEVSTJZSA-N 446.473 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCCN1C[C@H](C)C[C@@H](C)C1 1740678073 ZIYXQZFOYHVQEN-YPAWHYETSA-N 439.623 4.939 30 10 IJEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1740713933 NTRABZVITYORED-NRFANRHFSA-N 431.565 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CC1(N2CCSCC2)CCCC1 1740771249 YEAJFMGIXFDWIK-UHFFFAOYSA-N 443.636 4.848 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(SC)CCN(C)CC2)CC1 1740836411 KCQFHLDHWGUMJD-UHFFFAOYSA-N 446.064 4.828 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(=O)N(CC)CC)CC1 1740840189 XUDBADQAFYQQTC-UHFFFAOYSA-N 444.023 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)(COC)CC1 1740845657 XBQANRFOGJGITL-UHFFFAOYSA-N 442.604 4.818 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740879254 ILPSKIKSFMVLIF-UHFFFAOYSA-N 447.583 4.883 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CC=CCC2)C1 1740972071 CJCAKIUCOGGXQE-CNNODRBYSA-N 426.536 4.695 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC=CCC2)C1 1740972072 CJCAKIUCOGGXQE-NNMXDRDESA-N 426.536 4.695 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1748642355 NRNRAOCOWRSUOO-NVXWUHKLSA-N 447.530 4.996 30 10 IJEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(F)F)C1 1749091671 CXYMZAMLVGEZHK-OAHLLOKOSA-N 448.315 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCOC1 1749122072 SOGOQGRQPHBERM-NWSQWKLXSA-N 438.616 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1ccc(Cl)cc1 1749132036 XJYBFEMOTGBGEB-NNWRFLSQSA-N 445.007 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCSC)CC1 1749330813 OPSNHWQFOWMOTN-UHFFFAOYSA-N 438.439 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CCOC)C1 1749354166 KMSHVFNBSRHFCO-FQEVSTJZSA-N 439.604 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1749360200 VIFQUVUCODQITQ-UHFFFAOYSA-N 434.632 4.976 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS[C@@H](C)[C@@H]1C)c1ccccc1 1749384914 JKMVRRCJCVRENI-SEIRJHJZSA-N 426.630 4.862 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1749386026 XZHQFKWQZQDCMY-XMMPIXPASA-N 445.611 4.877 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749417450 HGMONPHYGGZYLI-UFRUDQCGSA-N 445.405 4.579 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1Cc1cnccc1OC 1749529888 OECYRTPQOVBZEC-UHFFFAOYSA-N 433.556 4.589 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(=C)CC1 1749746414 YOPZEIJRSSUPPU-UHFFFAOYSA-N 449.418 4.792 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1749754901 BXSCTBXJNIEGRV-UHFFFAOYSA-N 443.661 4.511 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1749765548 HFBQIFMDFJCURU-GZNCHQMQSA-N 434.650 4.613 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)c1c(C)noc1C 1760165071 ILGNZOAITUBCFG-HNNXBMFYSA-N 446.580 4.855 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCCCC=C)CC1 1760256279 TZUPZGLUPANPTL-UHFFFAOYSA-N 449.599 4.924 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H]2CCC[C@H]21 1760300577 HZNQRDHXYRPRPF-FRQCXROJSA-N 447.377 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C)(C#N)CC1 1760315113 ALNXSOJDQYESNS-ZLNRFVROSA-N 433.600 4.931 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC)CC1 1760316155 MWTTUEOPYOPGBG-QFBILLFUSA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)c(OC)c1 1760340209 OVZLPSMXKMDFOL-DENIHFKCSA-N 442.604 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)c1cccs1 1760340849 QHSKYPGXXPTPSE-DEOSSOPVSA-N 440.613 4.846 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1760359312 FJJJMUXVTXLANC-JOCHJYFZSA-N 447.539 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760409461 VRQKPIQJUBQLDB-UZUQRXQVSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760413703 QTOITKPNNHKUDI-UHFFFAOYSA-N 439.652 4.627 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1c(C)nn(C)c1C 1760432802 URSQBSISIWBKIB-UHFFFAOYSA-N 429.572 4.755 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CC[C@](C)(CC)O1 1760498695 BLYMYSIOTYGELP-BVAGGSTKSA-N 431.584 4.923 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C2CC2)cs1 1760504448 PVFWGDHBBSKBTA-UHFFFAOYSA-N 447.967 4.759 30 10 IJEE CCOCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1767728854 DLXADVUFFLQPTB-KRWDZBQOSA-N 445.995 4.874 30 10 IJEE O=C(O)c1ccc(N=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 1772728088 MXFYVVVUXWIUGS-OAQYLSRUSA-N 434.492 4.898 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)Cc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1C#N 1859485111 RDZHOONNKCXIGX-UHFFFAOYSA-N 449.850 4.889 30 10 IJEE C=CCNC(=O)[C@@H](CCC)NC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 1861427014 BYMUZYBLENZCKG-JOCHJYFZSA-N 426.520 4.584 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861839030 PADCOJVNIXWCDM-GOSISDBHSA-N 443.997 4.576 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Br)c1 1862421281 GYHVTDXKWHYTCY-QGZVFWFLSA-N 436.252 4.716 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446338 PYNJHDQKZODDNH-MJGOQNOKSA-N 432.303 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1C(=O)O)c1cccc(Cl)c1 1862447376 OUJFMMAPKKXUSF-FQEVSTJZSA-N 439.895 4.949 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Br)ccc1F 1862500120 YACSGULCQLPUHZ-GOSISDBHSA-N 432.289 4.803 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Cl)cc1 1862535208 CACYKXQFQCJVAJ-NRFANRHFSA-N 427.928 4.907 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 1862580904 UYUKLSCVSWFUOL-IBGZPJMESA-N 434.319 4.998 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674858 VTMCYNLQRGJMAP-NRFANRHFSA-N 437.854 4.963 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cccc2ccccc12)c1ccc2ccccc2c1 1862720283 VABNLZXRBVPAJS-VWLOTQADSA-N 437.495 4.954 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862744460 NMJXAYNCMSHLGR-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866717551 JQUXTZXTIIXAFR-IZZNHLLZSA-N 437.543 4.808 30 10 IJEE CC[C@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 1867048618 HSPZBOUUPWYJJB-DEOSSOPVSA-N 432.549 4.538 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)COc2ccc(Cl)cc2Cl)cc1 1870105842 KMVMEFYRQYVPCC-UHFFFAOYSA-N 444.322 4.646 30 10 IJEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc2ccccc2c1 1870144745 KIPWGPJGFHPUGK-UHFFFAOYSA-N 425.492 4.652 30 10 IJEE COc1cccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)c1 1870147017 STJGZEYIFKGKHY-UHFFFAOYSA-N 439.475 4.511 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCC(O)CC1 1870614627 VJSMPOJLYUWAHV-UHFFFAOYSA-N 444.591 4.884 30 10 IJEE C=CCOc1cn(CCc2ccccc2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870810224 SBYGMAWBNNAQBV-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE CN(C)CCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1Cl)C3=O 1871346166 KJLCFTWUAPPIBH-JMIUGGIZSA-N 433.335 4.713 30 10 IJEE Cc1cc(O)c(CN2CCC(N3CCCCC3)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2 1871398548 JOLOLHVJVIZLNG-ULJHMMPZSA-N 432.564 4.767 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872167412 SMDGXLNFAKQSHU-OFNKIYASSA-N 449.661 4.648 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872214888 ZMRNWQQHLYMHFO-IBGZPJMESA-N 428.598 4.805 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1872614113 ZVJIJIJFNYMEPS-HNNXBMFYSA-N 437.433 4.917 30 10 IJEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872764112 ZXCASEHBPQDVBX-KQEHZQRSSA-N 435.461 4.625 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c2ccccc12 1872788482 JIEWPOWTMJOVSQ-BEFAXECRSA-N 447.560 4.795 30 10 IJEE CCCCCCCCCCNC(=O)CC[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O 1873936918 SIDJIRGLNMQYMB-SFHVURJKSA-N 441.494 4.566 30 10 IJEE CCOc1cc(/C=N/n2c(COc3c(C)cccc3C)nnc2SCC)ccc1O 1874299571 IDEHBOJVWZKWDC-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874379948 UQGYVZOMKADGEY-AFUMVMLFSA-N 440.544 4.966 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874385699 CYBHPYGRVUBPIG-CIAFOILYSA-N 429.889 4.579 30 10 IJEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874403480 CETMBPRSKWOZMA-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)ccc1O 1874454851 YAUVOYLFWHDQFK-FSJBWODESA-N 441.488 4.863 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)c1 1874465408 HYIGSILLXDQXGY-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(OC)cc1 1874477463 BKZJYZHCPMDYFU-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C(C)(C)C)cc1 1874485576 CKWANEYZSSPILT-YDZHTSKRSA-N 432.590 4.538 30 10 IJEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cc(Cl)ccc1O 1874512017 HKMLAWYPSQJDHN-UFFVCSGVSA-N 431.905 4.843 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(F)cccc2Cl)c(C)c1 1874534085 QLGJIXKLXXEMGJ-AUEPDCJTSA-N 431.924 4.609 30 10 IJEE CCOc1c(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cccc1OC 1874567764 PKWJEKCUEUALEM-PCLIKHOPSA-N 432.549 4.795 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875112531 CGUDMXJIPKOUOD-OJWOGGGRSA-N 430.884 4.728 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)cc2)cc1F 1875152474 NEABJHRBMKLMNV-UKTHLTGXSA-N 436.435 4.723 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(C)=O 1875163789 CXGVQDRMENLGLY-QPJJXVBHSA-N 425.225 4.947 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1890933325 NBYDCOZGNLDEHO-OAHLLOKOSA-N 449.370 4.999 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 1891741657 ZKQXUYAZBULRGW-UHFFFAOYSA-N 437.540 4.551 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCCC[C@@H]1CNC(=O)OC(C)(C)C 1922057577 NPLXQFKHYCVCMY-UMFSSWHCSA-N 446.632 4.574 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1cc(Br)c(Cl)s1 1922087024 VQDGKLUUAGLRGN-IAGOWNOFSA-N 430.795 4.949 30 10 IJEE C#C[C@@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 1925426551 MAFAOOARIPTVCN-GGAORHGYSA-N 427.633 4.574 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 2037376896 XTQCFMIRJALIPS-UYAOXDASSA-N 445.560 4.512 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079263162 QQEAKIUZCQKSMR-AREMUKBSSA-N 442.648 4.902 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNc2ccc(C#N)c(Br)c2F)C1 2111958859 CKGGUMPLYNVFEH-MXXVBZNESA-N 430.293 4.515 30 10 IJEE C=CCC1(C(=O)N(C)[C@H](C)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2130025273 GILMNCGEEXCXCY-CYBMUJFWSA-N 443.407 4.843 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1ccc(C#N)c(Br)c1F 2174771305 KDNNZSNQTFRJPS-BBRMVZONSA-N 440.357 4.932 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)N(c2ccc(C#N)cc2Br)CCN1C(=O)OC(C)(C)C 2174816365 DBBTYFPPQWDWHS-IAQYHMDHSA-N 448.283 4.697 30 10 IJEE CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(Br)cc1C#N 2181053734 OPOXKNJDBYUXNZ-CQSZACIVSA-N 438.366 4.980 30 10 IJEE CC[C@@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCCN1C(=O)OC(C)(C)C 2181110395 NDMRPIQYKGAXLN-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE Cc1cc(CNC(=O)c2scc(Cl)c2Cl)sc1B1OC(C)(C)C(C)(C)O1 2202302194 XAKWASGMJGFLBW-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C)NCC 2213057557 ZMRDWIYDAPXEIE-FGZHOGPDSA-N 432.605 4.542 30 10 IJEE C=C([C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221688180 LGZQLDFNYDVMMZ-IRXDYDNUSA-N 427.459 4.646 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2235719038 FFXZCYPBADEJDE-ZWKOTPCHSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C#Cc1ccccc1Br 2235725300 JFDGYOXHBNRLCO-IBGZPJMESA-N 428.326 4.506 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2 2240549374 GDARQVJLVFZVJE-FIKGOQFSSA-N 441.410 4.631 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](N)C#Cc1ccccc1Cl 2245950371 IIIZPRJBXVFSPU-NHCUHLMSSA-N 428.960 4.519 30 10 IJEE C=CCCN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2260203657 KNWWHFBAUPZEKR-UHFFFAOYSA-N 432.295 4.982 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 2261825609 GBOXWMMUNNVLGR-UQBPGWFLSA-N 447.572 4.657 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267002836 GPMGJZMMMUIBHH-LJQANCHMSA-N 436.405 4.809 30 10 IJEE CC(C)[C@H]1[C@@H](C(=O)Nc2ccc(C#N)cc2Br)CCN1C(=O)OC(C)(C)C 2279441438 FSCLJMZWZJKEKS-YOEHRIQHSA-N 436.350 4.541 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2296215981 GJEIOVKVRDDZHN-YSIASYRMSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC1(CNC(=O)OC(C)(C)C)CCCC1 2296218627 GDGXBIYKNZOKSO-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2296228461 ZGRSSEVDAIFRFK-OALUTQOASA-N 434.374 4.899 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296229405 JFFARMMEPSDIHM-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2296323514 PBLVRLKVZVTMEX-JOCHJYFZSA-N 444.443 4.620 30 10 IJEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)c1ccccc1 2314437169 FCECQHMNUHQDIG-DEOSSOPVSA-N 445.427 4.894 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317347915 FORKSMNSSCSNBM-JUWLWVHDSA-N 429.370 4.584 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318950444 YFENATUDMLUBII-RCZVLFRGSA-N 447.572 4.799 30 10 IJEE Cc1ccc(C=Nn2c(SCc3ccc(Br)cc3)nnc2C(F)(F)F)[nH]1 2321780213 XJDCCXBPMHAHDN-UHFFFAOYSA-N 444.280 4.870 30 10 IJEE COCCc1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2321885807 HWWGZRFBPSGBRN-UHFFFAOYSA-N 437.352 4.524 30 10 IJEE COc1cccc(CCc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2)c1 2322071747 HVXQLELHOCUWPN-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(C)cc2)cc1OC 2322166914 XOEGAXKKNIDOEI-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)c(OC)c1 2322312251 AZQBYRROWJVMHX-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2C(C)C)cc(OC)c1OCc1ccccc1 2323580266 RKCRFPMOQFUUOD-UHFFFAOYSA-N 426.542 4.602 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)c(OC)c1 2323720271 FWFYSTCMYHBYFP-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2324297899 MLBQQEAVHNURSA-UHFFFAOYSA-N 442.508 4.557 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2324693446 PECDIXYTHKQZGA-UHFFFAOYSA-N 433.504 4.658 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2325549747 XASNMBCECPRBDT-UHFFFAOYSA-N 440.569 4.739 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2325722432 PSBXANBNMMUPSJ-UHFFFAOYSA-N 444.443 4.791 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 2326357002 YVRRDYCKMYEJLF-UHFFFAOYSA-N 445.932 4.975 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCCO)n2N=Cc2c[nH]c3ccccc23)c1C 2327304836 CBLPHUYLGSKMDX-UHFFFAOYSA-N 449.580 4.620 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)cc1 2328572057 WWOXZXLHYWDGPW-UHFFFAOYSA-N 435.528 4.714 30 10 IJEE Fc1ccc(C=NNC(=S)NCc2cccc(C(F)(F)F)c2)cc1Br 2330441635 UOAOKUYNYUQGRJ-UHFFFAOYSA-N 434.256 4.605 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2331709313 DAGKURZYEALYQM-INIZCTEOSA-N 441.988 4.907 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2334262442 QVDFYRIBGYWWLL-FHEJEKGWSA-N 439.405 4.701 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339574369 HGGQZVLYTLDXHE-RTBURBONSA-N 443.397 4.832 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2ccc(OCCC)c(Br)c2)cc1 14647719 UDFDJDHIWSRVPR-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nccn1-c1cc(C)cc(C)c1 25370761 FAUMPRDMDFMIGA-LJQANCHMSA-N 434.565 4.925 30 10 IJEE CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 33751201 QBZODPXJAFXWQK-HFTWOUSFSA-N 433.474 4.949 30 10 IJEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1 35844943 AUJPAEWCFZEQJI-UHFFFAOYSA-N 447.535 4.756 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c1 41654876 FFKHWSPMINVCQF-JJFYIABZSA-N 435.501 4.734 30 10 IJEE O=C1/C(=C2\Sc3ccc4c(c3C2=O)C(=O)c2ccccc2C4=O)Sc2ccccc21 104361803 WZINPJXIUDOHCN-WCWDXBQESA-N 426.474 4.951 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170059290 IYWGWXRPJQVRER-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(C)o2)cc1 170102298 WOMIVTTXQDMQIV-XMMPIXPASA-N 431.488 4.694 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccs2)c1 170139200 MOXZXLNDSHKAEP-NRFANRHFSA-N 433.485 4.564 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2Cc2cccs2)c1 170139249 YBLPONKPJCDESH-JOCHJYFZSA-N 431.513 4.770 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)c1 170184754 AGXQYGLKGNINHB-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(O)c(Cl)c1 170219736 JCWGJBUMXXCFID-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 170223213 KBEPURCFIYQXNW-JOCHJYFZSA-N 433.410 4.683 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)c1 170284887 LARFXFSHXIMATR-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)c(OC)c1 170285912 YJDZDMOZNUTEBB-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)o1 170306943 OEPJRCKYYKBISS-JOCHJYFZSA-N 435.476 4.994 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OCC)c2)cc1 170364993 AROXDUFYRFTDCY-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC)c2)c1 170409489 XUMFZAQROGNCGB-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE COc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3c(OC)cccc3OC)cc1)C2=O 210090105 OWVWHWJOWGYHJK-LPYMAVHISA-N 432.428 4.548 30 10 IJEE CCOc1cc(/C=C2\S/C(=N\N=C/c3ccccc3)N(Cc3ccco3)C2=O)ccc1O 210512267 XLRMRLOXSHCZMZ-DOSRWIIRSA-N 447.516 4.891 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cc(C)cc1C 252626610 RCAUWMUENXYAIX-LJQANCHMSA-N 425.529 4.897 30 10 IJEE CN(C)c1ccc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)cc1 254877817 RQRAJEAWLDYHJI-UHFFFAOYSA-N 447.407 4.833 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cc(OC)ccc1Br 316028869 UQLONYKOCWGBSD-UHFFFAOYSA-N 425.120 4.844 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 379652873 YCIBTFCQCLTIDW-PGRDOPGGSA-N 427.386 4.604 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(Br)c1F 407400178 JKNIUEUGRAUQLE-PBHICJAKSA-N 431.321 4.685 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 506722714 ZYGZCRTXMUVQSU-GOSISDBHSA-N 447.453 4.662 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508473156 NMQZMHIZVHDYBX-INIZCTEOSA-N 429.977 4.845 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 508904355 SYBMESLIQBTOQU-IEBWSBKVSA-N 426.952 4.604 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 508997154 IJNJJDIQCAGSPA-INIZCTEOSA-N 446.386 4.563 30 10 IJEE CC(C)(C(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1cc(F)cc(C#N)c1 511526141 ZNEKERNAPLTKPU-OAQYLSRUSA-N 439.918 4.603 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)CCC(=O)N(CCC#N)c3ccccc3)s2)cs1 524615684 UYLSSIMUJMAXRN-UHFFFAOYSA-N 438.578 4.523 30 10 IJEE COc1ccccc1[C@H]1C(c2cccc(OC)c2OC)=C(O)C(=O)N1c1ccc(C#N)cc1 526490296 LGSBVIQPJJTREA-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(C)c2)cc1OC 526607211 TUHXGTAWMVKIMJ-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CC(C)n1ncc2c(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc(-c3ccco3)nc21 537173578 ZOATWTFMAWIAIO-UHFFFAOYSA-N 426.480 4.670 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 549667811 HXGRUDKJUKEFPF-VXNXHJTFSA-N 448.542 4.816 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 559005605 QAQAVLHKDFLPSI-HNNXBMFYSA-N 435.475 4.642 30 10 IJEE O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585206483 DNPHVOXKQKWDTB-HNNXBMFYSA-N 445.281 4.904 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)cc1OC 586173590 POWQPLSQQSTNRV-GOSISDBHSA-N 436.533 4.528 30 10 IJEE CC(=O)c1ccc2c(c1)CCN2C(=O)Nc1cccc(OC(=O)c2cccc(C#N)c2)c1 586526129 PPFZQDDAZVNLAO-UHFFFAOYSA-N 425.444 4.575 30 10 IJEE C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccccc1-c1ccc(Cl)cc1 586863828 BHZQGNHTHCSDRF-HNNXBMFYSA-N 435.886 4.511 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 698487485 URWNBGPFLBXVBE-HSZRJFAPSA-N 431.533 4.730 30 10 IJEE N#CC[C@H](c1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 700360817 WFEUMBFZYYQKCA-HOYKHHGWSA-N 426.472 4.676 30 10 IJEE C=CCC1([C@@H](NC)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722921627 ZMYJFLMXACFEFF-INIZCTEOSA-N 431.321 4.801 30 10 IJEE COc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2C)cc1Cl 725401936 HZNPMPCGUOOWKE-GOSISDBHSA-N 431.945 4.556 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)OCO3)[n+]2ccccc2CC)c1 726572998 UOQDJFOOGNYJPD-UHFFFAOYSA-O 429.521 4.570 30 10 IJEE Cc1ccc([C@H](C)CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)cc1 737414663 RUHHBFJQUCLWSL-IERDGZPVSA-N 439.556 4.538 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(-n2ccnc2C)cc1 751528790 LZCAYRZKVGZSIO-UHFFFAOYSA-N 437.429 4.888 30 10 IJEE CC(=O)Nc1ccc(C(C)=NOCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 774804764 NLZNEYOEEURJPS-SANMLTNESA-N 441.531 4.560 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 789719370 OJUBZIJHZFPMOP-INIZCTEOSA-N 425.460 4.577 30 10 IJEE CN(Cc1nc(-c2cccs2)no1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 805143258 FEHYUWGYAWUSLR-UHFFFAOYSA-N 435.534 4.740 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccccc1)c1ccc2c(c1)OCCO2 1124368412 RDSFVXYUQSZJKP-UHFFFAOYSA-N 431.488 4.635 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc([N+](=O)[O-])cc1Cl 1125735520 GPJQJITXSHXUNX-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(-c3cccc(OC)c3)cc2)CCCN1C(=O)OC(C)(C)C 1126167246 GVDWEURNJPWBPX-MHZLTWQESA-N 448.563 4.771 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccccc1OCC#N 1127430702 BPYMVAVKENVVCK-LJQANCHMSA-N 431.458 4.739 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 1129702825 MUKYTCVPCFQXRN-INIZCTEOSA-N 443.341 4.568 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncsc2C2CC2)nnc1-c1ccc(Cl)cc1 1133060210 BSNWEQFMIFVJHD-UHFFFAOYSA-N 431.974 4.849 30 10 IJEE C=CC(C)(C)CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1181918503 LYBUULCGPRRFRO-LJQANCHMSA-N 428.573 4.998 30 10 IJEE C#CCOc1ccccc1OS(=O)(=O)c1cc(Br)c(Cl)cc1Cl 1186734056 OQGJQJGZJSTMFT-UHFFFAOYSA-N 436.110 4.536 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2cnc3c(Br)csc3c2)CCCC1(C)C 1189784050 BSTFVJXBLNMYQW-OAHLLOKOSA-N 429.405 4.814 30 10 IJEE CCCc1c(NC(=O)N(CCOC)Cc2ccc(C)c(C)c2)cnn1-c1cccc(C#N)c1 1203572509 HSUHNIHIWNZPKX-UHFFFAOYSA-N 445.567 4.994 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 1215117124 AVGFVKYWOBIMNU-FQEVSTJZSA-N 441.484 4.754 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC)c1ccccc1 1252448911 MGZVMJRTYVYSOL-SGNDLWITSA-N 433.552 4.582 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2ccc(C)c(C)c2)C[C@@H]1C)c1ccc(Br)cc1 1252458954 NXWZCVXANNQPSN-AVRDEDQJSA-N 440.385 4.661 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]21)c1ccc(Cl)cc1F 1252478876 GQDRFNOJDBWMCH-ZWQIFLOQSA-N 433.708 4.553 30 10 IJEE Cc1cc(Br)cc2c1N(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)CCC2 1264926770 FQWPCICLVBQLPO-KRWDZBQOSA-N 442.332 4.574 30 10 IJEE C=CCN(C(=O)c1ccnc(-c2ccc(Cl)cc2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1269219800 NYLQGEWUDBLFPN-JOCHJYFZSA-N 449.938 4.600 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)cc1OC 1274912171 RKECNAMSFJFQPV-POHAHGRESA-N 425.435 4.684 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC(C)(C)C1 1286283294 QZJBVOGKDMIRNR-INIZCTEOSA-N 434.415 4.832 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1286542632 CUSVPUPBBYTLOM-KRWDZBQOSA-N 447.421 4.995 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)nc1 1286565685 HBZFWOOWYPYWIQ-KRWDZBQOSA-N 437.613 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1286579654 QMRUDCZACBVPIV-HSZRJFAPSA-N 434.588 4.773 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@H](C)C1)c1ccccc1 1286680994 HMGKYOJJKPFJPZ-SFHLNBCPSA-N 449.624 4.722 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286687506 JXLOHHIDZKQTEA-RDTXWAMCSA-N 444.448 4.659 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)c1ccc(Cl)cc1)C1CC1 1286736809 IUVGDSAJONOCBJ-FQEVSTJZSA-N 444.004 4.830 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)s1 1292667188 AHCNTKLQQCSKBN-HNNXBMFYSA-N 449.609 4.846 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1)c1ccc(Cl)cc1 1298926288 QDOXPPMUBVPRHA-HXUWFJFHSA-N 448.906 4.714 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCC1CCOCC1 1300319267 ACHDTKWCANQBPQ-OAQYLSRUSA-N 438.616 4.954 30 10 IJEE COc1cccc(C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)c1 1300328903 BUPSRWGVQSVGDT-QFIPXVFZSA-N 437.588 4.636 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(F)(F)F 1300391019 CYDTUEKMLXDDAT-UHFFFAOYSA-N 433.247 4.649 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)[C@H](C)CC 1300563927 PXCSHHLFHNGOEF-CLOONOSVSA-N 438.641 4.536 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1300971864 GWXLAAQOIDGBPY-AREMUKBSSA-N 449.599 4.790 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1300997308 TVHXYLBBBYIFDC-UHFFFAOYSA-N 436.600 4.703 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301024642 PCIXVPSHWFBIIW-UHFFFAOYSA-N 438.837 4.792 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)CCOc1ccccc1Cl 1301048108 WIKCTBKJXPNACY-UHFFFAOYSA-N 438.384 4.555 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1301074720 HSQHPLGNMLYELL-QGZVFWFLSA-N 429.540 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1301137087 JSBHJAGWZZQABE-UHFFFAOYSA-N 449.590 4.815 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1Cc2ccccc2[C@@H]1C 1301159803 GOMMIXZYGRNPAL-KRWDZBQOSA-N 435.597 4.953 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(F)(F)F)C1 1301206733 KIZJOJPYKYPWLU-LBPRGKRZSA-N 432.288 4.781 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC1(N2CCC(OC)CC2)CCCC1 1301280717 UGDXIJAYURGEFQ-UHFFFAOYSA-N 437.632 4.553 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC(F)(F)C1 1301415084 ODZCCDVRRCDJQC-AWEZNQCLSA-N 428.886 4.812 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2cccs2)C1 1301538668 JUHUXZJBTSCLCJ-QZTJIDSGSA-N 442.560 4.643 30 10 IJEE C#CCN(Cc1ccc2c(c1)OCCCCO2)[C@H]1CCOc2ccc(Br)cc21 1308634787 RNZOHHGHNVFYOM-FQEVSTJZSA-N 442.353 4.960 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 1310106316 LADNKSYFHHCZBN-UHFFFAOYSA-N 445.585 4.777 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC3(c4cccc(F)c4)CCOCC3)cc2)nc1 1310210493 AHVRAKFLTBYPRF-UHFFFAOYSA-N 432.455 4.712 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(I)ccc1Br 1310256859 XLPCVAATZMXBEN-TXEJJXNPSA-N 447.114 4.769 30 10 IJEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(C)c2)C1 1311766995 ZFGUBPQRQKKPGS-IBGZPJMESA-N 446.378 4.991 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCN(CC(C)C)C1 1312339737 ZCOLUYSTPFKPNI-QGZVFWFLSA-N 440.401 4.654 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 1351448450 HJCSVWVJEUBWKV-HXUWFJFHSA-N 443.478 4.519 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)CCCN1C(=O)OC(C)(C)C 1352948525 SXYNCOIRVKHYAW-MZNJEOGPSA-N 439.581 4.780 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Br)c(Br)c1 1356352820 OZRQGILUXWAHMF-UHFFFAOYSA-N 448.158 4.841 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 1357693971 LPPXRRWYYVSPJQ-UHFFFAOYSA-N 444.434 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCN(CC(C)C)C1 1358874804 DCRBJYNSVXAHPB-FCHUYYIVSA-N 444.627 4.628 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1358909124 VCLXSSHPHIGUKB-NQIIRXRSSA-N 433.383 4.777 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCCC 1358953873 MXWBXYISLZQAQC-FQEVSTJZSA-N 446.064 4.948 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1CC(C)(C)C1 1358981287 DDATVIOWRZQWEI-UHFFFAOYSA-N 439.003 4.761 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)Cc1ccon1 1359049974 AYLTUWOLVLEKFH-UHFFFAOYSA-N 443.985 4.804 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCSC2(C)C)CC1 1359161261 WQJZQZFUCVRMKG-CQSZACIVSA-N 436.423 4.724 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1359173156 XHUDEUNLBKHDLR-PKOBYXMFSA-N 431.625 4.624 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cnn(Cc2ccccc2)c1 1359275706 CDXQDQMHOMBXIA-UHFFFAOYSA-N 444.583 4.697 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359308851 ALYNYLFUGNIGQL-OAQYLSRUSA-N 448.615 4.826 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1434982625 XAFHZTNZQSEGQT-KRWDZBQOSA-N 430.545 4.784 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)COc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 1436135426 OKEBULZGQCSLBU-UHFFFAOYSA-N 439.726 4.967 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(CC)cc2)n1 1459756983 FMMWFLIWCKTSDB-UHFFFAOYSA-N 437.547 4.594 30 10 IJEE CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)CC1 1460469617 GLOOUBNRINMHRH-WBVHZDCISA-N 447.670 4.557 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccccc1 1464383524 RKUDEKIUUVAZEX-MRXNPFEDSA-N 429.767 4.873 30 10 IJEE Cn1c(O)nc2ncc(-c3cccc(C(=O)N[C@@H](C#N)c4ccc(C(C)(C)C)cc4)c3)cc21 1464905936 GFNGEPHRKIVMCX-NRFANRHFSA-N 439.519 4.633 30 10 IJEE C#C[C@@H](NC(=O)CSc1nccn1-c1cccc(C)c1C)c1ccc(Cl)cc1F 1467935272 OCOYMYFCOKSQDX-LJQANCHMSA-N 427.932 4.864 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)cc1 1470123080 LAQYGUPPGFNJNM-UHFFFAOYSA-N 448.473 4.844 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F 1470787964 VLVGEEDUAZVJHW-NZSAHSFTSA-N 432.914 4.952 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(CC)c2O)nnc1-c1ccc(Cl)cc1 1472182127 IRGCFGVQNAFJHJ-UHFFFAOYSA-N 428.945 4.783 30 10 IJEE COC(=O)Cc1sc(NC(=O)N[C@H](CCC#N)c2ccccc2)nc1-c1ccccc1 1476593981 ADCJEIQXHHKAPK-GOSISDBHSA-N 434.521 4.692 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCCOC2)C1 1507556504 IYTHUQAVQRZAPG-NTKDMRAZSA-N 442.991 4.882 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@H](CC)C1 1507559320 QTRGXDVYIUVDLU-IRXDYDNUSA-N 431.378 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)C(C)C 1507662958 YPCGSMXKCYWFCQ-UHFFFAOYSA-N 445.380 4.992 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](SC)C(C)(C)C 1507774015 ZHXNZELTFUYHAK-DCLXLUIPSA-N 440.613 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1Cc1nnc(C(C)(C)C)s1 1507822588 XVWJUJMDNMOTDA-UHFFFAOYSA-N 440.617 4.765 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1507899698 QLQKAMFANFGIQJ-WOJBJXKFSA-N 425.596 4.855 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1507931507 ATKCPNALFWCZOW-QHCPKHFHSA-N 428.584 4.971 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCN(C2CC2)CC1 1507985648 LHZYQUHFTVAXHV-UHFFFAOYSA-N 437.632 4.651 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[C@H](C)C1)C(C)C 1508012350 CMRYJWAKFCMJDO-PQNGQFLHSA-N 436.648 4.829 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1508024036 HSDDWRPRUSVRSI-BJKOFHAPSA-N 429.568 4.556 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 1508100016 BIPALPRRWZVSLS-UHFFFAOYSA-N 447.583 4.655 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508163050 SLXVHOLOIDPPQE-DEOSSOPVSA-N 428.646 4.738 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)CCCN1C(=O)OC(C)(C)C 1520560268 JTYBJLQJDUWZBM-DSFVOBFGSA-N 429.586 4.778 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CCCN1C(=O)OC(C)(C)C 1522380635 KBNKHBWNEUEBHF-RUZDIDTESA-N 444.572 4.837 30 10 IJEE C=CCOc1ccc(CN(C(=O)COc2ccc(N3CCCC3=O)cc2)C(C)(C)C)cc1 1523247059 WLSQPJDHJGBJGD-UHFFFAOYSA-N 436.552 4.584 30 10 IJEE C#C[C@H](NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl)c1ccc(Cl)cc1F 1525070576 VOUAWPABTUGSBM-AWEZNQCLSA-N 448.730 4.684 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN(CC)CC 1538977169 SRAUYVYNFKCGAO-GOSISDBHSA-N 436.629 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1538985465 AFAKOFRFARXOCW-QRVBRYPASA-N 446.014 4.954 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)CCCC1 1539235981 ZTDFEFYPPVAFGC-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1Cc1nc(C2CC2)cs1 1539337476 PHFSLOIOWVWFGO-UHFFFAOYSA-N 447.633 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1ccc(C(F)(F)F)cc1C 1539549749 RFVRZRCFRVHOMJ-JOCHJYFZSA-N 425.458 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1Cc2ccc(Br)cc2C1 1539633191 XDBGGCLFTMMXTH-UTKZUKDTSA-N 445.405 4.741 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539691264 RMLRSCYEJAILMT-SFHVURJKSA-N 433.394 4.843 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1539842159 GSPISFCSHKAVPR-JOCHJYFZSA-N 436.629 4.950 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCC[C@@H]1C 1539945303 NBKLWSRWNJPKOP-JTJYXVOQSA-N 440.588 4.524 30 10 IJEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCC=C(Br)C1 1540028593 GMTRFWDLMVYHMM-UHFFFAOYSA-N 443.345 4.773 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)OCC)C1CC1 1540099393 YGBIWDSMEVELCU-UHFFFAOYSA-N 449.393 4.686 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSCC1)C(C)C 1540147136 JCMMQIJDWORSGC-NRFANRHFSA-N 446.064 4.850 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(C)C1)C(C)C 1540148497 XNDIIXRRUZWDRN-OAQYLSRUSA-N 441.023 4.849 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(C)(F)F 1540184616 GTSUFSMQOZWMRI-UHFFFAOYSA-N 430.455 4.547 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@H](CC)C1 1540855153 DHAQAUJQJYWGGG-CYBMUJFWSA-N 427.799 4.879 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(Br)cc2O)s1 1540967437 NTBDYZURJDISOJ-UHFFFAOYSA-N 433.780 4.945 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1541512931 AZAKQAVCKLFFGY-WOJBJXKFSA-N 434.588 4.865 30 10 IJEE C=CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CCCCC1 1543288036 CJWZMUMTGRMLTP-UHFFFAOYSA-N 439.021 4.914 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1CC(=O)c1ccco1 1545446760 UVVDTPZMCCJWMI-DLBZAZTESA-N 438.952 4.660 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1547831322 DGFSNCJCCKVLCP-AZUAARDMSA-N 425.577 4.559 30 10 IJEE C=CCC1(NC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CCCCC1 1556621876 AOAGQZUBNMVWRU-UHFFFAOYSA-N 440.609 4.976 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](O)c2cccc3ccccc23)cc1OC 1560528285 NPPTVYZRJKDUPS-OAQYLSRUSA-N 442.353 4.999 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C)[C@@H]1CCCc2ccccc21 1562192876 GZACVWGGPWYPNR-OAQYLSRUSA-N 443.469 4.832 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(F)c(F)c1 1563892011 AWGHXHOEIZPNEG-FGZHOGPDSA-N 449.929 4.608 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1564195987 OKFXNJSGRCBAOE-GMAHTHKFSA-N 426.582 4.628 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 1564998717 AUSHYCQSYGSJPP-DHIUTWEWSA-N 449.348 4.823 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)CC2CCCC2)c1 1583618668 MOLIZUPDRQVPOK-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1584712518 FHGNAUCPFWNYPN-KRWDZBQOSA-N 426.451 4.956 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1589078371 MZJKORCOSKTIHD-FQEVSTJZSA-N 442.629 4.592 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1589544435 HFZQSGDJKHLJAJ-NOZRDPDXSA-N 431.584 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNC(=O)C(C)(C)C 1589608726 MXRZEYWTNZQPSN-KRWDZBQOSA-N 443.661 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccccc1Cl 1589641748 OILHYEGFFUXPEC-HSZRJFAPSA-N 425.964 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1CC(C)(C)C(F)(F)F 1589687869 RIJLDKAANKCFES-UHFFFAOYSA-N 426.483 4.857 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccco1 1593826887 RSCHMKTVAUMBTL-MRXNPFEDSA-N 444.919 4.658 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(OC)CCCC2)CC1 1594070651 JOODYGLNBWEMFS-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)COc2ccccc2OC)CC1 1594236974 LDBJUZOHXVKFSO-AUSIDOKSSA-N 440.588 4.646 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1594559194 HDUDSIBHADJMJW-IBGZPJMESA-N 442.608 4.855 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOCC2(CCC2)C1 1594692925 KKAFNKHMTXJZNW-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccccc2F)C1 1594774894 OJOMVXUPELRBQN-BAGYTPMASA-N 442.579 4.880 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCc1ncc(CC)s1 1595116242 QKAICGCSGQQFNP-NRFANRHFSA-N 437.613 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1OCCC1(C)C 1595196624 YYNDBIULHSGAJD-GOSISDBHSA-N 431.378 4.701 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCC2(C)C)C1 1595752882 DGNCPOMLDRMOTQ-UWHLTILDSA-N 430.637 4.804 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2CC2(C)CCCC2)cc1C 1612100479 DCRVVZUKIUOMEL-UHFFFAOYSA-N 434.588 4.858 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2Cc2occc2C)cc1 1616402195 DPYVRIPNIMFGBW-SFHVURJKSA-N 435.528 4.507 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)ccc1OC 1620965724 QUHKYBZYWKVUOO-PCCBWWKXSA-N 430.589 4.775 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1OC 1626692264 LVRJHASBLBPGNN-YPNIWSFNSA-N 429.557 4.634 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 1627404449 SNBYECGHPBKJNU-UHFFFAOYSA-N 434.561 4.667 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc3c2CN(CC(C)C)C3)CCCN1C(=O)OC(C)(C)C 1631294480 JIWQOEPUOLUYBW-VWLOTQADSA-N 427.589 4.943 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC3CCCC3)c3ccccc3)ccc2c1=O 1632322363 WJCAVNNWHYNFNQ-NRFANRHFSA-N 433.577 4.923 30 10 IJEE Cc1cc(C[C@H](C)NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 1633379784 BSLXUYDGXUOVSQ-IBGZPJMESA-N 427.552 4.573 30 10 IJEE C=CCC1(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)CCCC1 1635345731 HHRZOCGPUZESBI-UHFFFAOYSA-N 434.508 4.632 30 10 IJEE C#CCN(C(=O)NCc1cccc2[nH]ccc12)[C@@H]1CCOc2ccc(Br)cc21 1637932107 ILNFBWNBSCWYSZ-HXUWFJFHSA-N 438.325 4.599 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2c(cccc2C(F)(F)F)C1 1643208412 VXQXBPLYINPRLC-UHFFFAOYSA-N 427.426 4.654 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCCC2)CCS1 1649593050 GWHFMOPLFJQCOM-UHFFFAOYSA-N 439.629 4.888 30 10 IJEE C=C[C@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1CCCC)C(=O)OC 1652373749 JWRTUPAPEOXLIN-INIZCTEOSA-N 432.542 4.884 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1Cc1ccc(Br)cc1C#N 1653975310 CZIGBTKIMHKTFR-INIZCTEOSA-N 448.405 4.932 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)C3=Cc4ccccc4O[C@H]3C(F)(F)F)s2)cc1 1654176425 GZWWLPJNPBZYAQ-LJQANCHMSA-N 441.434 4.951 30 10 IJEE C=C[C@@H]1CCCCN1c1nc(CN2CCCCC2)nc2sc(C(=O)OCC)c(C)c12 1655430333 HSNPZGQEYQLJJT-QGZVFWFLSA-N 428.602 4.707 30 10 IJEE CN1CC[C@H](CNCc2cc(C#N)ccc2Br)[C@H]1c1ccc(Cl)c(F)c1 1656020594 FDLNKGWQVYHYFR-FOIQADDNSA-N 436.756 4.896 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CN1CCC(c3ccc(C#N)cc3)CC1)C2 1656288751 GOYMKXHSRHAKHO-HSZRJFAPSA-N 439.600 4.544 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1658063609 IFLBXMOHUOCUCA-GCJKJVERSA-N 427.570 4.768 30 10 IJEE C=CCOc1ccc(OS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 1660485284 NDOYUJGWIWVLBW-UHFFFAOYSA-N 437.233 4.800 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1 1660711396 RMIAOMBSQRQTIS-JOCHJYFZSA-N 427.957 4.659 30 10 IJEE C=CCNC(=O)CNCc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1 1662056273 VHGZXKAJIUANDQ-UHFFFAOYSA-N 444.156 4.940 30 10 IJEE CCC1(CC)CN(S(=O)(=O)c2ccc(CC#N)cc2)c2ccc(Br)cc21 1662665475 DIZQKORADPTBQU-UHFFFAOYSA-N 433.371 4.782 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(F)c2)c1 1662703024 AHSFVQYAZMRGFU-HXUWFJFHSA-N 445.313 4.528 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(Cl)cc(Br)c1OC)C(C)C 1666810438 FEQDRRDRZSUTCI-KRWDZBQOSA-N 444.801 4.931 30 10 IJEE CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@]1(O)CCCOC1 1667397768 GPXVAMNVNDVPQQ-YKSBVNFPSA-N 441.959 4.685 30 10 IJEE Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)cc1Br 1667452793 DOUQLBQDQKBLKD-MJGOQNOKSA-N 433.371 4.526 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)CCCC1(C)C 1668915609 PEVJESMXBVQPIR-OAHLLOKOSA-N 436.799 4.867 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccccc4)c3)cc2n1 1675012806 HRCPCFKKEOOYHH-UHFFFAOYSA-N 425.492 4.796 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1 1678432457 KKSPFDOJYLQHNO-UHFFFAOYSA-N 430.917 4.657 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H](C)CCc1ccc(I)cc1 1680778564 HCFHZNFINPMTNG-OAHLLOKOSA-N 428.358 4.904 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(Br)cc1 1683680721 FZKSUSKCQMCLRT-SFHVURJKSA-N 437.341 4.589 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1)c1ccc(Cl)cc1F 1683689782 SLSUHZAESXIGJD-OAQYLSRUSA-N 429.898 4.529 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 1686761944 DFNFFDGOPFBJSP-FCHUYYIVSA-N 431.536 4.524 30 10 IJEE C#C[C@H](NC(=O)N(CCN(CC)CC)Cc1cccs1)c1ccc(Br)cc1 1686919624 JQDOZUSMRNRSOW-FQEVSTJZSA-N 448.430 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1oc(CCC)nc1C 1689835022 DSPMOBNZJVXEHL-HOTGVXAUSA-N 437.613 4.887 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1689921166 WWHIPDDJHFEZAR-YJBOKZPZSA-N 431.378 4.754 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc2ccccc2o1 1690230377 ATQRGUPQXQTEGA-UHFFFAOYSA-N 438.329 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(CN2CCCCC2)cc1 1690268624 RWDKCDMRSWLEKP-UHFFFAOYSA-N 444.627 4.701 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1690394490 BHFHPPDLGJYDCT-WMZOPIPTSA-N 441.542 4.893 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CC(C)(C)C2)CC1 1690402642 KJJOEROFVYDIKO-UHFFFAOYSA-N 440.588 4.810 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(Cl)nc2)CC1 1690417456 SAZJRNIUYBWTMZ-UYAOXDASSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccccc2CO)CC1 1690460141 ANMSQYYUCYEDNA-UHFFFAOYSA-N 431.584 4.881 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CC1CCN(CC(F)(F)F)CC1 1690563453 RTWYSNPRELDEJC-UHFFFAOYSA-N 435.538 4.868 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1Cc1nc(C(F)(F)F)cs1 1690601296 XFVDYRMXESOJKU-UHFFFAOYSA-N 449.502 4.868 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@H]1C 1690605688 UCJITBFLDRBHQZ-KOSHJBKYSA-N 440.975 4.978 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCSC1 1690609518 RHLNSBMJPGKVEU-IBGZPJMESA-N 440.588 4.979 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(CCOC)Cc1ccc(C)o1 1690634595 FAPPPYBUQWPXGD-UHFFFAOYSA-N 449.324 4.587 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1690663814 FDQTXJSHXGJYEH-IFMALSPDSA-N 435.616 4.704 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C)C2(CCC2)C1 1690749059 PUSLSELOQIEHII-IBGZPJMESA-N 426.630 4.813 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1691934188 DLMJLGLKDBWVCJ-LJQANCHMSA-N 440.473 4.904 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1694844643 DEPAHGJFCCGHMK-UYWIDEMCSA-N 439.629 4.885 30 10 IJEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCCC1 1696758212 ALPXNDKOEQNDCU-JOCHJYFZSA-N 437.588 4.562 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(C)CCCO1 1705477899 UANVVWQQHYIXMC-BSRJHKFKSA-N 430.980 4.715 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1c(C)noc1C 1705482498 APYXZLLYWDHSHQ-NWDGAFQWSA-N 448.390 4.636 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1705680426 APGOLSVLFUONDA-UHFFFAOYSA-N 437.357 4.635 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC 1705694573 CLVSMGZILCLRGU-VQIMIIECSA-N 449.393 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1705703994 XXTNXPUAQPIAHC-URXFXBBRSA-N 433.600 4.889 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCCC2)C1 1705732336 WBTADIOWDFQYFH-UHFFFAOYSA-N 438.616 4.985 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(N(C)C)CCC2)CC1 1705771599 AELFHUUGZSFOJM-UHFFFAOYSA-N 432.037 4.865 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2oc(CCC)nc2C)CC1 1705772834 WANWAVMTGJUMAC-UHFFFAOYSA-N 435.572 4.928 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CC(C)C)C1)c1ccccc1 1705794994 AGRQEGDSWPAMQU-FYYLOGMGSA-N 435.616 4.746 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705799721 DZYTUYDBZSTZOB-HSZRJFAPSA-N 435.616 4.625 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cccc(C(F)(F)F)n1 1705838546 SQSZSALXKUTHAY-UHFFFAOYSA-N 437.853 4.691 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1705847907 BDVPWBMHAHBATF-RXVVDRJESA-N 449.393 4.590 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705862586 PFINDTXYHXLRTK-LEWJYISDSA-N 448.590 4.792 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(C)[C@@H](C)CC)C1 1705919280 ALRLKXXIUCSPTO-NZQKXSOJSA-N 439.648 4.754 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(CC)Cc1c(F)cccc1F 1722318572 CIKFUPVALYOWJD-UHFFFAOYSA-N 429.540 4.742 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CCC)CCC 1722494808 SICUMDJSKXYICU-IFMALSPDSA-N 439.604 4.755 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N(CC)CC)CC1 1722519725 IFWSBDRUMTWHLE-NRFANRHFSA-N 425.621 4.922 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(Cc1ccco1)C(C)C 1722522764 AQLQNXDQBBCCAV-UHFFFAOYSA-N 446.555 4.649 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC2(COC)CCCC2)CC1 1722569013 JPXYWRIMTFOITA-UHFFFAOYSA-N 438.616 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1722586531 IDNGXYMSVUDHKU-QHCPKHFHSA-N 446.643 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722588132 LAJYPBFASWNDBA-LJQANCHMSA-N 439.007 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722589522 SBBQALLFSZRLCC-UHFFFAOYSA-N 449.624 4.694 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1722653535 GNOMGMHZDVSJQS-RTBURBONSA-N 444.023 4.786 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(CCC)C1 1722667737 IFKGDPHIPKMBSA-GOSISDBHSA-N 444.421 4.618 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C2CC2)ccc1F 1722678805 YXHMFRQGCXTNRB-UHFFFAOYSA-N 441.938 4.697 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1723365782 GWLBXXUCZUAKEU-JOCHJYFZSA-N 449.521 4.783 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2scnc2C)n1 1724514456 DWRLZVUTVALTLL-UHFFFAOYSA-N 443.580 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1740541520 AVDLJMJOWWMWTG-HKUYNNGSSA-N 442.629 4.731 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740567558 LHWUTJQETRPAGT-WDYCEAGBSA-N 430.394 4.854 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](SCC)C1 1740572426 LACHIOMUNKJVCI-LJQANCHMSA-N 426.586 4.589 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SC)C1 1740721854 VYWIXEHVRGIJBZ-NRFANRHFSA-N 444.670 4.562 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(F)(F)F 1740747916 AUNVBJUSFNMJNM-UHFFFAOYSA-N 447.299 4.771 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740815991 RCDMVDLDAWUXQU-NVXWUHKLSA-N 438.428 4.649 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1740832387 DBECXPOCGAWPLW-INIZCTEOSA-N 437.510 4.773 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCc2cc(OC)c(C)cc2C1 1740849339 GKIGQSKFRGQJQM-UHFFFAOYSA-N 431.584 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740850041 BBVVKMXYTMZVGH-GOSISDBHSA-N 444.570 4.881 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1F 1740882280 GYWMYZVJGVZBRJ-UHFFFAOYSA-N 433.890 4.501 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC2(CC2)C1)C(C)C 1740927040 PXFYVZPTEYYRSO-FGZHOGPDSA-N 427.637 4.599 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CCc1ccc(Br)s1 1741128807 CWAUOZJGJRLYKL-ZDUSSCGKSA-N 448.365 4.747 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCC1)c1cccnc1 1741319952 IBEJSPCXCNNWBI-DEOSSOPVSA-N 444.583 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(CC)CCC(F)(F)F 1748654478 IQIRKVMKVVIDQP-GOSISDBHSA-N 449.565 4.975 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1748710312 MEMJFXWWMJKFHG-IBGZPJMESA-N 443.636 4.869 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](CCOC)C1 1749085576 BVQXIKINYHOATK-HKUYNNGSSA-N 433.394 4.591 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1SC 1749129521 FASMWYLRGXSWDY-URVUXULASA-N 442.629 4.512 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1749187488 NMHCBOBNSQWMMK-IBGZPJMESA-N 434.588 4.514 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1749284125 GATRLNJNRHFLNZ-BRSBDYLESA-N 425.017 4.589 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](CCC)OC)CC1 1749294378 YGXJKOSASTVRMG-HXUWFJFHSA-N 428.577 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1749417811 QNOUGRACAARMQI-UHFFFAOYSA-N 429.565 4.696 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1749460991 LMFNJXVNKXMXOP-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCCC1 1749540748 AWENONSUHISNEI-VWLOTQADSA-N 442.579 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1ncnn1C(C)(C)C 1749553264 HYWOOJWJHBPCQF-UHFFFAOYSA-N 425.606 4.585 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749579895 YKCFSMVHEYHRDZ-CUNXSJBXSA-N 446.643 4.970 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCC[C@@H]2C)C1 1749696065 OWOCQXXBDUNBLQ-SIKLNZKXSA-N 444.023 4.644 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1750059538 ARXHTOOKGRWMRG-MOPGFXCFSA-N 448.546 4.670 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760135461 WUBSWAMQBSEPNO-BGYRXZFFSA-N 446.599 4.522 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C1CCCCC1)N(C)C 1760164763 ZIBFCAIPVGVDFV-GMAHTHKFSA-N 437.632 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CCN(CC)C(=O)OC(C)(C)C 1760332512 DSEOCGHCBOSEHX-UHFFFAOYSA-N 431.556 4.744 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](c3cccc(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760430312 FYOVAIKLLNJADB-BVAGGSTKSA-N 438.616 4.977 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nccn1C(F)F 1760502350 WEKAPMUASQQQKO-UHFFFAOYSA-N 444.530 4.521 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1760503265 DPNGCYCBUSZCNE-SFHLNBCPSA-N 430.980 4.583 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C2CC2)C1 1760560679 BWLUABJCEYBOGT-CQSZACIVSA-N 439.448 4.925 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C1CCN(CCC)CC1 1760564083 OGTXVLSYTNFQRI-UHFFFAOYSA-N 438.645 4.656 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)C)C1 1766795403 IBRGYQWXXCKUHC-SFTDATJTSA-N 427.618 4.600 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 1772560113 BAPDLWWQYFEIGH-NRFANRHFSA-N 427.566 4.830 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C/c3ccccc3F)C(=O)N2Cc2ccco2)cc1 1772759775 YFRRKBYYPKONDT-ISIQRHQGSA-N 448.523 4.991 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862396555 FYRRKVPOEMLTPW-QHCPKHFHSA-N 435.520 4.811 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862411278 CUPBWKWGVCLZGP-NRFANRHFSA-N 427.447 4.972 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCOc1ccccc1 1862411491 JBRQGYAFZYRTEX-QHCPKHFHSA-N 449.453 4.931 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCC)c(OCC)c1 1862497465 LAIXPNILJFYTCI-QHCPKHFHSA-N 435.520 4.865 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCC)c(OCC)c1 1862512541 STGOHBKZCYQHAE-QFIPXVFZSA-N 439.483 4.696 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(OC)c1 1862524317 BVZZTHIWORRUEF-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1F 1862597286 YFFOAQSXOQWOOM-XFPJRNFQSA-N 427.447 4.827 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 1862605678 ZXGLQJSTKMTDRR-BVZALQNUSA-N 433.504 4.615 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862618097 OYONTKRIXGNIEG-OAQYLSRUSA-N 440.971 4.777 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862619770 BYVRXOIVHSEWNG-XCLFUZPHSA-N 445.918 4.736 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(OC)c1 1862661518 CJHKMMCALBVPKT-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(F)cc2)cc1 1862686759 AYLWTASGGHHTOY-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@H](C)O)c1 1862721456 FPHCZWQGCPHLFE-MHECFPHRSA-N 427.500 4.621 30 10 IJEE COc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863083583 QNPBDRWDOZQNKI-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1863679219 VUAFGPIRBUUEJA-QFIPXVFZSA-N 442.600 4.684 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccccc1C 1865010573 HNTIHHVIZTUCAW-OAQYLSRUSA-N 438.616 4.945 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 1865773370 QGEYMMGKADTTOM-OAHLLOKOSA-N 442.581 4.580 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)/C=C/c1ccc(Br)cc1 1866125770 XAXPBKSRGROQBJ-DHZHZOJOSA-N 425.261 4.512 30 10 IJEE CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C#N)nnn2Cc2c(F)cccc2Cl)cc1 1870106083 VYGOSWPPGLYBPI-CQSZACIVSA-N 441.894 4.520 30 10 IJEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870833588 OQINYRQALZZFNU-OAQYLSRUSA-N 442.556 4.717 30 10 IJEE COc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c1 1871252233 PTOSWNCWCUBBPY-UHFFFAOYSA-N 431.536 4.966 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871377077 TXWXPEZVWHIVDA-AMUWGTMJSA-N 443.411 4.838 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871389097 JRJIWTLGMIAIOD-XKZIYDEJSA-N 432.403 4.977 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(N3CCCCC3)cc2)[nH]1 1871609681 MQLIUDWONGHJQO-UHFFFAOYSA-N 435.620 4.664 30 10 IJEE C=CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N(CC)CCCC)n1 1871635999 MEIBYHJFQONWSW-UHFFFAOYSA-N 432.572 4.840 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(F)cc1 1872245027 NNLLOSHSRSFFKO-QFIPXVFZSA-N 432.561 4.754 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872441696 SATMUZCUBKNWKQ-GAJHUEQPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872466875 STOQEMNDHAXNRU-KKSFZXQISA-N 434.989 4.879 30 10 IJEE CC(C)C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872770951 ISIQNIYUTUPQIF-AEFFLSMTSA-N 449.557 4.759 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCc2cnc[nH]2)C1=O 1873102087 CLRYBUNUDCFWGK-UHFFFAOYSA-N 436.600 4.771 30 10 IJEE N#Cc1ccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3ccccn3)C2=O)cc1 1873335778 OJBYKBGYLMZKGI-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccco2)cc1 1874344320 HUUAUASYMBKPPI-HZHRSRAPSA-N 449.492 4.575 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(F)c2)c1 1874481231 PQNFLEYECSVANG-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)C)cc1 1874517208 OEMKYJRSOCTSOH-BIKZULFDSA-N 435.597 4.816 30 10 IJEE CCCCCOc1c(Br)cc(/C=N/n2c(C)nnc2SCC)cc1OC 1874531340 DXUCNYAXPLRVKW-UDWIEESQSA-N 441.395 4.921 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874535816 XOVVGGIZWKIOLO-HKNSOBRKSA-N 448.379 4.745 30 10 IJEE Oc1ccc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)cc1Br 1874565748 SDUJUUIFNMJYGX-WSDLNYQXSA-N 439.338 4.661 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1Cl 1874632888 ZXXRBOOVEUPIRM-YRNVUSSQSA-N 431.916 4.501 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OCC 1874636322 VGYHYGLGFNUUBS-RMKNXTFCSA-N 432.900 4.975 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1ccc(OC(C)=O)cc1 1874698842 QLLPBCJWWVEMME-RIYZIHGNSA-N 446.455 4.744 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)c(OC)c1 1875179303 XRYGHJOFYFDHRS-JXMROGBWSA-N 430.884 4.967 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H](OC)CCN1C(=O)OC(C)(C)C 2014392889 GGGRAOGILSQFFT-VABKMULXSA-N 432.605 4.542 30 10 IJEE C#CC[C@H](C[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076090219 AOCOTSRDVZDWQJ-RPWUZVMVSA-N 439.644 4.574 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1C 2079954460 MJZLOXUUTVJUTO-GOSISDBHSA-N 435.309 4.799 30 10 IJEE O=C(NC[C@H](Nc1ncc(C(F)(F)F)cc1F)C(F)(F)F)OCc1ccccc1 2106008061 BPRAJDPZEZNAQT-ZDUSSCGKSA-N 425.304 4.509 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)c1ccnc2cc(B3OC(C)(C)C(C)(C)O3)cnc12 2116148253 NNOBIAXLEGCPFM-LJQANCHMSA-N 431.389 4.980 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2118203782 AEERCOLEIRFJNP-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c2nsnc12 2137388856 CRIDPRFSNCQNPH-UONOGXRCSA-N 441.395 4.574 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1ccc(C#N)cc1Br 2162298164 YSFRIFXWTSYSDE-RTBURBONSA-N 428.330 4.923 30 10 IJEE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1C#N 2174809067 VQUOGNMFBGPQGT-KRWDZBQOSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C)C(=O)Nc1ccc(Br)c(C#N)c1 2180925037 ZJVYZZVZOLJBRT-UZLBHIALSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)C(=O)C#Cc1ccccc1Br 2232046756 YFFQWFYTQMTDFI-MRXNPFEDSA-N 440.403 4.795 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2235727492 QOGHKOOPBDFWAQ-MJGOQNOKSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC=CCC1 2235732662 ZSNBRGHFGPHCDT-DFQSSKMNSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2240677316 RTXSZPPBIYKLNZ-MDNKFWRPSA-N 433.390 4.696 30 10 IJEE C#CC[C@H](C)C[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248473744 KXRQYYHMXIUXPO-JTHBVZDNSA-N 428.617 4.858 30 10 IJEE CCN[C@H](CC#CC1CCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2261102656 IFYZZUVUCKEQHW-SHQCIBLASA-N 439.644 4.718 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2262200117 OFOWWOKJOQQOIJ-PXDATVDWSA-N 447.572 4.799 30 10 IJEE C=CCCC1(C(=O)N(C)Cc2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 2281015623 YAWFDJGTPHOWMF-UHFFFAOYSA-N 437.378 4.611 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCN[C@@H](C(F)(F)F)C1 2294626419 OLOBJQOJHJRNJQ-PBHICJAKSA-N 448.283 4.767 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2296217916 ZBLXEVZWLFPGPP-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2296219866 SDXFTVPFBCNSPL-UXHICEINSA-N 435.406 4.720 30 10 IJEE O=C(C[C@@H](N=Cc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 2297152461 UATKMMKWSZSPTD-MRXNPFEDSA-N 444.658 4.934 30 10 IJEE CC[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2317359325 ZUKYXIITZMQQKY-NEXPLYTHSA-N 432.370 4.797 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1 2322211017 GAPZIOZNSZYATI-UHFFFAOYSA-N 429.977 4.836 30 10 IJEE CCOc1ccc(S(=O)(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 2323378412 AVMZVMKMOYVKSY-UHFFFAOYSA-N 432.586 4.698 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(O)c2CN2CCN(c3ccccc3)CC2)C1=O 2324161902 ZNYPYRWPKLWXRB-UHFFFAOYSA-N 426.516 4.639 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1O 2325444009 RQGCXZARXGGLFM-UHFFFAOYSA-N 448.523 4.788 30 10 IJEE COc1ccc(OC)c(C=Nn2c(CCCOc3ccccc3Cl)nnc2SC)c1 2326037625 RRBPBORQFNHFKA-UHFFFAOYSA-N 446.960 4.564 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2327208411 NLAKSQYQXQFAQX-UHFFFAOYSA-N 439.541 4.891 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1OC(C)C 2327880802 KHHRARKSNUBVNV-SFHVURJKSA-N 443.617 4.564 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccccc2OC)CC1 2328178949 HRYADQWSBSGABW-UHFFFAOYSA-N 444.601 4.898 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cccc(OC)c1 2331326714 LPSHOJIQWZPHIK-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(OCCC)cc1 2331348477 CLFNYIYNXJZSEX-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339598942 JTYKXNPABJNATI-ZWRKILNWSA-N 444.381 4.941 30 10 IJEE C[C@@H](c1cc(Br)cs1)N(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2371991050 GJHOUPJHDOLHOI-NSHDSACASA-N 441.175 4.541 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3c(OC)cccc3OC)cc1)C2=O 8823884 CSMBPRAUMYDVHM-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE C=C(C)CN1C(=O)COc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081354 YCPJWKZWEYLBIF-ZDUSSCGKSA-N 435.307 4.701 30 10 IJEE C=CCc1ccc(OCCCn2c([C@@H]3CCCN3C(C)=O)nc3ccccc32)c(OC)c1 21524500 OXUOTHDOBHMORZ-QHCPKHFHSA-N 433.552 4.926 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccco1)C/C2=N\OC(=O)c1ccccc1Cl 33960435 FLPJCPWWMGVIRS-YVZPWASOSA-N 428.916 4.979 30 10 IJEE COc1cc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)S2)ccc1OC(C)C 39888469 DQAGSNQBBUYVEU-FDCKDHBTSA-N 439.581 4.770 30 10 IJEE COc1ccc(/C=C2\S/C(=N/N=C\c3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 47137930 XGJNGTPKYBOXIP-ZJHZAIRNSA-N 435.480 4.934 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N/N=C\c3ccccc3F)N(Cc3ccco3)C2=O)cc1 47138945 ZHWDOWVBCOARNR-DOPZRVNGSA-N 448.523 4.991 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(C)c1 100221936 ORNMDATVKLYXKV-QHCPKHFHSA-N 444.616 4.790 30 10 IJEE Cc1cccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)c1C 103133607 NFPUVSBEDNYWFC-UDWIEESQSA-N 442.537 4.990 30 10 IJEE O=C1/C(=C\Nc2cccc(F)c2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 105337688 IYEWUVVGFJQUTB-WOJGMQOQSA-N 432.473 4.513 30 10 IJEE N#C[C@@H](NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1F 111028898 AXCDEHROHPGLFO-OXHGWOFKSA-N 441.441 4.607 30 10 IJEE CCOCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(C)cc1 136432993 RCWPSTBWUZGDRM-ZHHPLPSFSA-N 437.536 4.550 30 10 IJEE CCCCCOc1ccc(/C=N\Nc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)cc1 169895298 GXBXHEJYWLZMLY-MYYYXRDXSA-N 440.931 4.910 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 169928132 PCPJOUJIAJEECX-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(O)cc2)c1 169960698 JOPJAPVMIRZEPX-XMMPIXPASA-N 441.483 4.727 30 10 IJEE N#Cc1ccc(N2C(=O)C(c3ccc(Cl)cc3Cl)=C(N3CCCCC3)C2=O)cc1 170066210 BNKOWCGIIZKXGZ-UHFFFAOYSA-N 426.303 4.635 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@@H]3c3ccco3)nc2c1 170098439 HXDOROMIKRRKKZ-NRFANRHFSA-N 427.460 4.864 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@H]2c2ccco2)cc1 170098943 SZKLCYREMSYKOA-NRFANRHFSA-N 443.459 4.564 30 10 IJEE CCOc1ccc(C2=C(Nc3cc(C)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170114103 DJSBNKDORFKOJH-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170149584 ASXGVCNEQURNIF-QFIPXVFZSA-N 437.536 4.526 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccs2)c1 170154007 GHUSECLGJGYPLJ-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccn1 170169656 NFTCUGJUZRXLGD-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)cc1 170190728 DKSODDNWZASWOW-XMMPIXPASA-N 435.483 4.615 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1cn(C)c2ccccc12 170269165 XNEQBRVZUKLAPA-HSZRJFAPSA-N 448.519 4.574 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1)c1cccs1 170417180 PUNNBFDRXZMGHY-GOSISDBHSA-N 444.434 4.940 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 170443435 LTYXZILZEBFSMH-HSZRJFAPSA-N 435.568 4.724 30 10 IJEE Cc1cccc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c1C 170536832 QECGMPOXSVFJEB-UHFFFAOYSA-N 425.492 4.543 30 10 IJEE Cc1cccc(C)c1N=C([C@@H](c1ccccc1)N1CCOCC1)n1nnc2ccccc21 252693798 FOLOPIXOTNTXLO-RUZDIDTESA-N 425.536 4.700 30 10 IJEE CC[C@@H]1NC(=Nc2ccc(Br)c(I)c2)S[C@H]1C 395411510 DEJNFBCOAIVTMR-CPCISQLKSA-N 425.133 4.545 30 10 IJEE N#CC1CCC(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 442125692 MGUHUOXNCYGAKG-CPAJTMIGSA-N 426.904 4.848 30 10 IJEE C=CCCCNC(=O)C(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 448372603 CQVXNKYALGCRDD-UHFFFAOYSA-N 439.899 4.595 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCc2ccnc(O)c2C1 460964220 SEIUAMMOQHPGNL-SFHVURJKSA-N 441.535 4.811 30 10 IJEE Cc1ccc2nc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[nH]c2c1 467716905 ZRCGHUZPALVXRW-UHFFFAOYSA-N 429.455 4.783 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 508814770 WJKMEJFFNUWOLG-UWJYYQICSA-N 428.458 4.763 30 10 IJEE N#Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccccc3Cl)C2=O)cc1 526669166 MFMCCABAMNUECZ-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](c4cccc(F)c4)C3)n2Cc2ccccc2)cc1 549156883 KQNXJFIXBCRHGS-XMMPIXPASA-N 439.494 4.582 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 549676344 MVKSRRHUIKKTCN-DEOSSOPVSA-N 443.551 4.599 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N(Cc1ccc(Br)cc1)C(C)C 583721171 NXDLQBSAITXBTM-UHFFFAOYSA-N 426.362 4.627 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1 610304406 YUDHBEHFORGJJN-RUZDIDTESA-N 436.515 4.585 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc3ccccc3n2)nnc1-c1ccc(Cl)cc1 642367597 QBWNBXPRDRQSML-UHFFFAOYSA-N 449.967 4.741 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 676751265 BRNPVUOHWHKFAU-UHFFFAOYSA-N 430.299 4.757 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C(C)=C\c1cccc(Cl)c1 758882805 DRHFZZPKOSSRSE-YHKKIHSWSA-N 426.900 4.630 30 10 IJEE Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1ccc(C#N)cc1 762441567 UQYTUMHWKWJKGE-UHFFFAOYSA-O 447.927 4.708 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 783076847 JQSRCMXVKFVCAM-KUHUBIRLSA-N 432.442 4.945 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)/C=C/Sc2cc(F)ccc2F)c1C#N 798211771 QBPWNOUBQYYEHP-MDZDMXLPSA-N 428.489 4.989 30 10 IJEE C=CCc1cc(/C=C2/S/C(=N\C)N(C)C2=O)cc(OCC)c1OCc1ccccc1C#N 1083917024 ZCROIGAZQNVHES-LEMJEDKYSA-N 447.560 4.796 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N=c3sccn3Cc3ccccc3F)c2)c1 1124540074 HYNCDZKHZXWSOX-UHFFFAOYSA-N 443.503 4.929 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 1127856935 WPEPVOGZHJDFDP-RUZDIDTESA-N 427.500 4.562 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 1128431448 BSXJAKHFQUOQOA-UZLBHIALSA-N 429.973 4.819 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCN(c3cccc(Cl)c3C)CC2)c(OC)c1 1128842809 UEWQVBFCUSUSIS-UHFFFAOYSA-N 428.960 4.503 30 10 IJEE C=C[C@@H](O)C(=O)NCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 1155585181 KUDHYUNPWOSDEI-OAHLLOKOSA-N 431.113 4.711 30 10 IJEE C=CCn1c(SCCCS(=O)(=O)c2ccc(C)cc2)nc2cc(Cl)ccc2c1=O 1187995407 QLAXDJMTXBCTKK-UHFFFAOYSA-N 448.997 4.500 30 10 IJEE C=CC[C@@H](Sc1nc2sc(-c3ccccc3)c(C)c2c(=O)n1CC=C)C(=O)OC 1188540371 XFRIYADXIULTNB-MRXNPFEDSA-N 426.563 4.829 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)ccc1Cl 1191075880 DEYIUVYSFQYLIP-CVDCTZTESA-N 425.960 4.666 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1229989874 OJDGUMUGDUEWFV-PKTZIBPZSA-N 441.616 4.852 30 10 IJEE C#C[C@@H](NC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1ccc(Cl)cc1 1230488769 CNDDKWKLEARDPE-HXUWFJFHSA-N 435.326 4.898 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1276831905 INTBPFQTFHPZPK-INIZCTEOSA-N 434.458 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCSCC(F)(F)F 1286273409 DYHVYQCAEWYCRD-OAHLLOKOSA-N 433.503 4.555 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccsc1)N(CC)CC 1286371145 FSWJZWAZBWXMDN-FQEVSTJZSA-N 428.005 4.813 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(CCOC)CCCCC1 1286517902 LWWQXSKEPCALBS-RUZDIDTESA-N 431.584 4.796 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1286656860 QFHNKMOWIKPRRT-OPAMFIHVSA-N 445.405 4.661 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286689204 YPFHBORWQYRJRM-SFHVURJKSA-N 430.543 4.635 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1286702585 TZZWPHMQSNXDBV-QFIPXVFZSA-N 433.556 4.589 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCS1 1286741551 ITTWMLPGQXFVAD-OAQYLSRUSA-N 430.581 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCc1sccc1C 1286742324 OXAWVDLHJDBNFR-JOCHJYFZSA-N 447.608 4.849 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@](C)(CC)O1 1286753347 BDSBHVFFLCFVMU-JXFKEZNVSA-N 434.382 4.562 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 1288101238 HQQKZQYDLGRIDO-HSZRJFAPSA-N 431.540 4.522 30 10 IJEE CC(F)(F)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1288981555 DQDNKOHDDCKFTI-HSZRJFAPSA-N 436.510 4.554 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)c1C#N 1290890878 HYWUNZWYERNQBJ-KRWDZBQOSA-N 434.609 4.857 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C 1294496488 RXUARSBTRIQYPY-QGZVFWFLSA-N 428.533 4.796 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N(C)C)CCCCC1 1299891988 DHMPPXATXMYKQN-KRWDZBQOSA-N 445.011 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCC(OC)CC1 1300319696 DMSUTEAXOLBTAJ-YMISUZCDSA-N 438.616 4.818 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1300385731 DDELJZWPEAYLCE-XZOQPEGZSA-N 431.584 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@@H](c3ccc(CC)cc3)C2)nnc1C(C)(C)C 1300895300 OPTWNJONJRWWNL-ZRBLBEILSA-N 438.616 4.697 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1300948965 KFWAYBJWLGKKMM-OALUTQOASA-N 437.371 4.981 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1300973970 AJRQSVUVCRTAJC-HSZRJFAPSA-N 432.996 4.833 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)C1 1301000682 WSIIBOIRDUKISL-OAHLLOKOSA-N 425.360 4.603 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2ccccc2)C1 1301136930 IHONZZIGMYPLBE-OAQYLSRUSA-N 444.583 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1301141932 SQXFBGWZIDGJDT-UHFFFAOYSA-N 426.458 4.580 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(C)C)CC1 1301160410 QDYMJWKJODLFLW-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCN1CCCC[C@H]1C 1301283297 VEOHAJCQDMMJEG-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCCC1CCOCC1 1301339842 ACCYWLIMIOLESI-UHFFFAOYSA-N 442.567 4.611 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCC2(C)C)C1 1301565995 INISECUUKWFMPE-FYYLOGMGSA-N 438.616 4.680 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccnc1OC1CCCC1 1304520085 AIQVFPRAIOEELR-IBGZPJMESA-N 430.556 4.757 30 10 IJEE CCc1nc(C)c(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)o1 1306013247 BILZHHHDTJOWSV-UHFFFAOYSA-N 448.571 4.511 30 10 IJEE N#Cc1cnc(N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c(Br)c1 1307115957 CIYNASIXUISZHI-UHFFFAOYSA-N 445.670 4.715 30 10 IJEE Cc1ccc(S(=O)(=O)C2CCN(c3c(C#N)cnc4c(Cl)cccc34)CC2)cc1 1307200208 AZUMKMARRTVTNH-UHFFFAOYSA-N 425.941 4.511 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)cc21 1311252976 XMQHDOCCGBLITR-GOSISDBHSA-N 429.446 4.642 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1cc(Br)ccc1OC(F)F 1311824879 WTGHMJSKJVTQJH-UHFFFAOYSA-N 439.300 4.991 30 10 IJEE C=CCC[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC)c1ccc(C(F)(F)F)cc1 1312344136 VZCLFHBRNWNHTB-MSOLQXFVSA-N 427.467 4.633 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 1348998705 WTOYLHMMWPSEDP-RPWUZVMVSA-N 426.516 4.924 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 1349066779 IZPXENGGIOWOLV-ZDUSSCGKSA-N 438.398 4.602 30 10 IJEE Cn1ncc(Br)c1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 1353493947 CRXJOJVRIYJGJV-UHFFFAOYSA-N 429.705 4.555 30 10 IJEE C#CCN(C(=O)c1sc(CCC)nc1C)[C@@H]1CCOc2ccc(Br)cc21 1353633194 BZAMQNXANVZFBS-MRXNPFEDSA-N 433.371 4.766 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)c1ccccc1 1354212523 OXVILIOTGBQPDW-XMMPIXPASA-N 433.596 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1cccs1)N(C)C 1358899397 MKZBJFIHQIGQDR-ICSRJNTNSA-N 439.654 4.701 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1358905900 PANNAEZSVLCNFA-JXFKEZNVSA-N 443.389 4.515 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)C1CC1 1359060640 CHARUULWEPEMOM-UHFFFAOYSA-N 425.385 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CC)C1 1359094611 CUESSJHRWPYQGZ-RFWXGWTQSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1359130990 FABLSNOIIPONLJ-HSZRJFAPSA-N 433.556 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1359162051 BETMXNCIINYBHF-UWJYYQICSA-N 428.964 4.745 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC2(O)CCCC2)CC1 1359162354 NNLZMQCVRYNAIE-UHFFFAOYSA-N 440.588 4.594 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1359168443 USMCFCVGCWCHKL-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1359178994 IUQFMCPMEPYNFQ-HXUWFJFHSA-N 431.625 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CC1)N(C)C 1359262576 YDVRDUQPYOEFKX-IBGZPJMESA-N 443.020 4.588 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359273738 MDTCUXCNFAWLFU-HXUWFJFHSA-N 429.609 4.589 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1359339979 XCVISADOPLIIKD-ZWKOTPCHSA-N 446.642 4.703 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 1359344450 YEJFJCBSFRMTRB-UHFFFAOYSA-N 435.037 4.835 30 10 IJEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1359933109 CEFROENMHVUIFI-LJQANCHMSA-N 434.613 4.808 30 10 IJEE CCn1c(NC(=O)COc2ccc(OCc3ccccc3)cc2)nc2cc(C#N)ccc21 1435766887 BJXKJZJJAJIHDW-UHFFFAOYSA-N 426.476 4.524 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)ccc1Cl 1436900551 QCWNHRHTCBSRGC-BZSNNMDCSA-N 447.000 4.838 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 1440741580 YKJCLZKSZLTCCX-HNNXBMFYSA-N 446.466 4.824 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 1453883883 ODTBNGYEJLTWLW-OYRHEFFESA-N 425.573 4.578 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC2CCCCC2)C(C)C)nc2cc(Cl)ccc2c1=O 1458726788 CZIWYSFPWOQYES-IBGZPJMESA-N 434.005 4.802 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2nc(C(F)(F)F)cn2c1 1461063462 CLIMFMPISLMWER-LBPRGKRZSA-N 440.347 4.926 30 10 IJEE CC(C)c1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n(Cc2ccccc2)n1 1461236893 CVNHTYBYKRPMLV-UHFFFAOYSA-N 445.542 4.921 30 10 IJEE C=CCCC[C@H](C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1462426755 PDBJBZZOWHUVGJ-PZJWPPBQSA-N 441.369 4.959 30 10 IJEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)cc2)CCCC1 1464357706 FGWWHGSKKYXPNO-UHFFFAOYSA-N 444.553 4.580 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1464654481 XLPHTQZSDTYOCI-UHFFFAOYSA-N 434.580 4.780 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)cc1 1465340726 XFHBGSSJGRXGCZ-CRAIPNDOSA-N 442.357 4.775 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2cc(CC#N)ccn2)c2ccccc2Cl)c(OC)c1 1467112217 BUVVKOJQQAXVMG-QFIPXVFZSA-N 436.899 4.729 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1)C(C)C 1467660784 YYRFYFZNTXZHRE-RUZDIDTESA-N 449.643 4.665 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1467931778 HCBWKGVBRJADGE-KRWDZBQOSA-N 428.529 4.576 30 10 IJEE C=CCCCCCCCCNC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1470384572 MXOKVSJUSAEVIF-SFHVURJKSA-N 425.495 4.723 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Br)cc2)CC1 1471254764 DKTYWXLGQFXEIM-UHFFFAOYSA-N 426.358 4.974 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cc(N3CCOCC3)ccc2Br)CCCC1(C)C 1476603704 BEVLIEGYSCLHTG-IBGZPJMESA-N 436.394 4.884 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1507516967 OCRPVMPIHUDEHY-DENIHFKCSA-N 431.584 4.899 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)CN1CCCC1 1507548700 WFFLNWMSKDPQEH-GOSISDBHSA-N 446.064 4.804 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@H](CC)C1 1507559318 QTRGXDVYIUVDLU-IAGOWNOFSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(Cl)ccn1 1507571550 FMJKPJZHHVQQER-WOJBJXKFSA-N 429.996 4.685 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)[C@H](C)C1CCC1 1507750242 NQLIGKUPWOMQLI-LJQANCHMSA-N 434.613 4.512 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(F)cc2C1 1507780131 MJXHFMXNWBWPHP-UHFFFAOYSA-N 448.727 4.604 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccccc1OC 1507783134 CELBUKSZYWRJPH-MJGOQNOKSA-N 447.377 4.778 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1507840219 YEVBHEWKOLFBRK-BJLQDIEVSA-N 444.645 4.585 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(C)C)C1 1507847084 BZRZREMCEBMTHS-IBGZPJMESA-N 432.996 4.976 30 10 IJEE C=C(Cn1c(N(C)Cc2ccsc2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507851008 YAHGSEFYAQIJHQ-DEOSSOPVSA-N 438.597 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnccn1 1507912882 ZJWZDLNZDUAIKL-UHFFFAOYSA-N 426.952 4.636 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507938528 FAPVMINFRFKPPA-KRWDZBQOSA-N 432.494 4.652 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1507939455 PTNQTJVJVKBSAE-UHFFFAOYSA-N 446.643 4.951 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1507940189 XWETYAWIVCARKI-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](CC)C1 1507947316 BNTQURBMHFWRPF-RBUKOAKNSA-N 449.665 4.691 30 10 IJEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507965986 UAUUYYFGYHMKON-SFHVURJKSA-N 438.494 4.537 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1cnn2ccccc12 1508011554 HHDDBRUWOYCDEJ-UHFFFAOYSA-N 449.356 4.582 30 10 IJEE C=CCn1c(Cc2csc(C)n2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1508060665 ANAPNEGBZCXANO-UHFFFAOYSA-N 425.583 4.990 30 10 IJEE CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1512628419 CQOVHMPNUGVJJZ-UHFFFAOYSA-N 430.556 4.696 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N 1516424039 DVFMAFMTSGNRQX-HNNXBMFYSA-N 434.382 4.509 30 10 IJEE COc1ccc(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(OC)c1 1519231942 GOWWYXVHYQYXGF-UHFFFAOYSA-N 436.895 4.994 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(CC=C)c(OC)c(OC)c1 1519358993 BUKHRNSPWCXCBU-UHFFFAOYSA-N 435.442 4.946 30 10 IJEE CSC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1519905505 DEEIFMINHGGCPY-HXUWFJFHSA-N 433.528 4.572 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1521577896 GWQCHOXYJMPPIP-UTKZUKDTSA-N 434.319 4.821 30 10 IJEE C=CC[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)c1ccccc1 1534268583 NBIDJXODKNWRCV-WWCBRRATSA-N 439.581 4.578 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1538972556 KLSDOHFHOPISGE-OALUTQOASA-N 444.023 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCSc1ccccc1 1539036110 YDXVQURXIVHZSH-CEWLAPEOSA-N 426.630 4.837 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(CC)(CC)SC)c1 1539041996 APRASACDBJEASX-UHFFFAOYSA-N 439.629 4.524 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2sccc2[C@@H]1CC 1539104173 FVANOWZOBCCGIF-IBGZPJMESA-N 436.581 4.951 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)c(Cl)c1 1539131654 WYFKQYYSCZBVBN-OAQYLSRUSA-N 437.927 4.877 30 10 IJEE Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)COc2cccc(Br)c2C#N)cc1 1539161846 BWMXETSVEWUZEM-YLJYHZDGSA-N 427.342 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1C 1539620132 JMNYXDPDMDNWOM-DOXZYTNZSA-N 449.368 4.817 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCSCC(F)(F)F)CC1 1539846470 RQCVRRYRYGVHDI-UHFFFAOYSA-N 430.927 4.974 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nnc(C)s2)CC1 1539874499 NKGXXBWKYLQGIZ-KRWDZBQOSA-N 438.601 4.646 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1539952591 HFISDBXNIINFRL-LEWJYISDSA-N 441.595 4.978 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1sc(C)nc1C 1540174741 PLLZCOHCGVXSJT-UHFFFAOYSA-N 432.597 4.845 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1OCCC1(C)C 1540188012 ZJZOWBWBODVYGQ-QFIPXVFZSA-N 438.547 4.651 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 1543358546 JTEWHMCLRXCUKC-NRFANRHFSA-N 426.488 4.650 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@H](C)C2)c1 1543736766 JEYRHLMCOQVTTP-ROUUACIJSA-N 447.000 4.887 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCc2sccc2C1 1545719352 FOVBPKDGWUFMQF-DENIHFKCSA-N 448.640 4.536 30 10 IJEE C#CCCS(=O)(=O)N(C)Cc1ccccc1Oc1ccc(Cl)cc1Br 1561878764 BCAYJIUGFAJWDV-UHFFFAOYSA-N 442.762 4.680 30 10 IJEE C#CCOc1cccc(NC(=O)N2Cc3cc(Br)ccc3OC3(CCC3)C2)c1 1562371336 ZOGWXNCFJKGTES-UHFFFAOYSA-N 441.325 4.810 30 10 IJEE C#C[C@H](NC(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2)c1ccc(Cl)cc1F 1562813373 OKIQYZUCCYPMNC-INIZCTEOSA-N 433.936 4.717 30 10 IJEE C=CCSCCNC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1564545211 FPVQQVJIWVUVBK-JOCHJYFZSA-N 430.017 4.676 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCCC[C@H]2Cc2ccccc2Br)cc1 1564798132 DFLXFBLPBLHWJU-FQEVSTJZSA-N 441.369 4.768 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12 1565157070 XTFDYHOSGYBILN-QHCPKHFHSA-N 430.548 4.989 30 10 IJEE COC(=O)CCc1ccccc1C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 1565656576 HOFBOIAZHZWATD-UHFFFAOYSA-N 430.479 4.958 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N3CCN(c4c(F)cccc4F)CC3)cc2)cc1 1584703605 BHSPGGXDWSYNCD-UHFFFAOYSA-N 433.458 4.786 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)[C@H]1CCCO1 1585511121 CKHBXQSQROTDCG-DENIHFKCSA-N 435.321 4.575 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](CCC)C1 1587712454 VOVAGYFBYDXQNV-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C1CCCCC1)N(C)C 1588289039 VQFZUVBFHFRBBI-OAQYLSRUSA-N 444.023 4.577 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H]1C 1589006300 DBCSFIZUNCKFLQ-ZDUSSCGKSA-N 439.810 4.716 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1594115165 NPUCGVLPKZEJLO-PMACEKPBSA-N 442.677 4.548 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1594431144 XWCYRBLSBJDNLG-QZTJIDSGSA-N 428.552 4.602 30 10 IJEE C=CCCOCCn1c(CC(C)C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1594819779 LGXBGORHGFEBAI-QGZVFWFLSA-N 447.421 4.956 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1594928948 AWVFZHRWVOWMMI-LJQANCHMSA-N 425.577 4.523 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCn2ccnc21 1594997740 MDASYUAXQBAAPP-IBGZPJMESA-N 434.588 4.551 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1595062444 QZRJBBJHCRGANR-NQIIRXRSSA-N 443.636 4.811 30 10 IJEE C=CC[C@H](C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1)c1ccccc1 1610410780 IAOUVGQLJFKFSA-KRWDZBQOSA-N 443.288 4.980 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC(F)(F)F 1611896803 GSUSJPDMLFFIOY-UONOGXRCSA-N 429.874 4.989 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1O[C@H](C)COC 1616553285 QHPSDMMELQOUND-CJNGLKHVSA-N 447.359 4.728 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3nc(CC)n(-c4c(Cl)cccc4Cl)n3)cc2n1 1617520580 LYNQMNSOKYERND-UHFFFAOYSA-N 441.322 4.925 30 10 IJEE C=CCC1(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCCC1 1623628233 YQLZUBFLIBBJQD-UHFFFAOYSA-N 437.550 4.860 30 10 IJEE COc1cccc2c1CN(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)CC2 1624687336 CBTJTSVOPFJIIF-UHFFFAOYSA-N 429.524 4.640 30 10 IJEE Cc1nc(CN2CCC(CNC(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)oc1C 1625091373 GUBGHVJZYWUBEF-UHFFFAOYSA-N 429.590 4.556 30 10 IJEE Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)C 1625370245 FRMUINJZADHXIE-FNZWTVRRSA-N 427.548 4.867 30 10 IJEE Cc1ccc(SCCC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1C 1626676498 AKTGIWQCZKAQGE-JOCHJYFZSA-N 428.001 4.848 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 1628290720 IWSFDPVGURWUQH-XOKHGSTOSA-N 431.360 4.568 30 10 IJEE C=CCN(CCC#N)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1628430803 VQUSZLLPCMCWNP-VWLOTQADSA-N 445.563 4.868 30 10 IJEE C#CCN(C(=O)c1cc(NC)ccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1629238971 XEVHTUPZPYVROE-GOSISDBHSA-N 433.733 4.743 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)c1 1630433517 OGDLOEHBBRVKLH-DEOSSOPVSA-N 428.532 4.777 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1630864704 VKRSOPBGANPXOM-OAQYLSRUSA-N 444.575 4.957 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2c(C(=O)OCC)oc3ccccc23)cc1OC 1632167886 KEZSLCNWEKJEBS-ACCUITESSA-N 435.476 4.513 30 10 IJEE C#CC[C@@]1(C(=O)N2CC=C(c3cccc4ccccc34)C2)CCCN1C(=O)OC(C)(C)C 1632614329 HCALYPZLQGKQLS-MHZLTWQESA-N 430.548 4.858 30 10 IJEE C=C(CNC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccccc1 1635923769 VDXWFWGMSAQZFD-IBGZPJMESA-N 432.305 4.851 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCSC[C@@H]1c1ccccc1OC 1637501175 JGTOVKZWEKLJKN-WOJBJXKFSA-N 448.629 4.951 30 10 IJEE C#CC[C@@]1(C(=O)Nc2c[nH]c3ccc(Br)cc23)CCCN1C(=O)OC(C)(C)C 1638103998 YQYUYBSMRLZBTC-NRFANRHFSA-N 446.345 4.662 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1641354086 PNZGARCPSNOWLU-GHTZIAJQSA-N 442.581 4.669 30 10 IJEE N#C[C@H](c1cccs1)N1CCN(C(=O)CSC(c2ccccc2)c2ccccc2)CC1 1643353108 BHGXJOGJLBXLNB-JOCHJYFZSA-N 447.629 4.980 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccc(N(CC)CC)cc2)n1-c1ccccc1)C(=O)OC 1643546964 ZLZLAYXAPYMYKR-NRFANRHFSA-N 436.581 4.990 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3nnc(-c4ccsc4)n3)c2C#N)C1 1643569659 CCNJFWQOXMMYPZ-CQSZACIVSA-N 440.598 4.515 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1 1644454090 GVQWGCVISJRYGC-UHFFFAOYSA-N 442.478 4.695 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(C)Cc2cc(Br)ccc2F)cc1C 1644503990 CYVNCJMFBFFUJX-UHFFFAOYSA-N 432.337 4.584 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)CCOC 1649607118 FXXMYDPZADNZKN-RUZDIDTESA-N 439.604 4.612 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1653619945 KWIIALPDVKJDQL-NRFANRHFSA-N 444.362 4.797 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)C1 1657660126 VPWCFZNPFPHXQI-XRYLAESTSA-N 445.629 4.610 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1 1658437118 DVDLCAZVIUWTMN-UHFFFAOYSA-N 434.433 4.856 30 10 IJEE CCc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)c2cccc(F)c2)cc1 1661136714 CDJLHKUOGAEHAY-QFIPXVFZSA-N 428.916 4.981 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 1661486326 TVOUOPSDLUOMCR-UHFFFAOYSA-N 431.297 4.600 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1 1668825478 ZPKXEXAMLANKIE-FPOVZHCZSA-N 434.342 4.771 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CCCC1 1672770388 QZSJRMTWIDEDID-UHFFFAOYSA-N 433.618 4.755 30 10 IJEE C=C(CC)CNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1673614869 LWBBURJDYDDHCB-UGKGYDQZSA-N 440.515 4.715 30 10 IJEE C#CCN(C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1)[C@H]1CCCc2ccccc21 1675707954 OOZSPJVEXGFJSN-QFIPXVFZSA-N 432.503 4.605 30 10 IJEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1)[C@H]1CCCc2ccccc21 1678370292 YNXGADKHYHBWDD-VWLOTQADSA-N 438.531 4.556 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)cc1 1678870534 BHZLFDAFHJYNIW-UHFFFAOYSA-N 426.427 4.761 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC 1679248822 FAKJGDXEFKDRLI-LJQANCHMSA-N 443.341 4.516 30 10 IJEE C#CCOCCNC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1 1679423007 NHSYCQJFALGBJP-UHFFFAOYSA-N 425.287 4.716 30 10 IJEE C#C[C@@H](NC(=O)NCCCc1ccc(Br)cc1OC)c1ccc(Cl)cc1 1680717746 XOMQFAHUOZPBLY-GOSISDBHSA-N 435.749 4.717 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 1683288760 CKSAXBNWBNPIBT-JOCHJYFZSA-N 433.518 4.966 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(Br)ccc2C1)c1ccc(Br)cc1 1686919814 MTWKDQSXCJTOFK-GOSISDBHSA-N 448.158 4.654 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](OC)C1 1689913027 GNNFHCYOMRNAPK-AZUAARDMSA-N 430.980 4.717 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC(C)C 1690034316 CYZVWKRMWHLFLL-UHFFFAOYSA-N 443.595 4.631 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCc1ccc(Cl)s1 1690098326 DQXQCAMKNFRPHL-UHFFFAOYSA-N 435.380 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](COCC)C1 1690240982 NBMDZBQAXHFMGL-FIKGOQFSSA-N 448.970 4.582 30 10 IJEE C=C(Cn1c(N(C)[C@@H](C)c2ccco2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690326303 YYKQTAJSOFCIQL-CPJSRVTESA-N 436.556 4.823 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC(F)(F)F)CC1 1690417575 YABSYZFZFKZSHC-IAGOWNOFSA-N 430.515 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1690433231 UJRNPKFCYAHXAP-HXUWFJFHSA-N 441.664 4.602 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690565403 IYORYXYNZYUWCO-DNVJHFABSA-N 438.616 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(F)cc1F 1690575908 FTLAQQBBOSGIMP-UHFFFAOYSA-N 425.508 4.864 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1690750292 FOYNLJYZXYTUFC-IRLDBZIGSA-N 437.613 4.807 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1693640981 AZRXSZWELLUTOZ-XLIONFOSSA-N 429.515 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)c1ccccn1 1705547237 ZIROHIRODASSMZ-UHFFFAOYSA-N 441.535 4.559 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CN(C)C(C)C)CC1 1705705228 FGTNNEWPHXJBPF-ILBGXUMGSA-N 443.680 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(F)(F)F)cc1C 1705718994 HMNVKKZTCIAXAG-UHFFFAOYSA-N 446.521 4.918 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1705771957 GVNKXMUWUFWYQJ-AUSIDOKSSA-N 428.552 4.604 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1705796548 GZYXFFYNIPCSBX-URXFXBBRSA-N 431.584 4.953 30 10 IJEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1705816361 DBAVRTLYJMWTIU-AWEZNQCLSA-N 449.506 4.561 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1705866170 JGIMEOFTNSCQPK-HLAWJBBLSA-N 430.618 4.835 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1705867318 LOHAKDJXRRGSNV-IMSXRSKXSA-N 436.648 4.829 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCSC(F)(F)F)C1 1705917084 UGKXXUCMWJBBKF-QZTJIDSGSA-N 440.535 4.854 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccco1 1705942487 UPZSJNAVPQDHNK-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1706074574 ANAFTAJTULKTSF-QGZVFWFLSA-N 438.576 4.731 30 10 IJEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1711143971 GXWKCYCLZQTTCF-FQEVSTJZSA-N 429.515 4.648 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722313711 CFGKLGBQDNOSHU-SFHVURJKSA-N 438.963 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1cccnc1 1722466895 HVXSBMUXVMHGAC-MHECFPHRSA-N 435.959 4.701 30 10 IJEE C=C(Br)Cn1c(N2CC[C@@H](COCC)C2)nnc1C1(c2ccccc2)CCC1 1722489232 NURBGJNINNRNOR-GOSISDBHSA-N 445.405 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](CC)OC 1722512032 UXIXUINEAWKEEB-MRXNPFEDSA-N 437.382 4.544 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CCCCC2)CC1 1722520035 QLROGQAFJOQCJI-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1722580080 OQMCDRIQFJHFLX-HSZRJFAPSA-N 435.641 4.944 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)[C@H]1CC 1722601285 TZSCWLONBLOFIO-MRXNPFEDSA-N 444.004 4.884 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722601473 XFIHKNCJRXAGQZ-QFIPXVFZSA-N 439.510 4.861 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1cccs1 1722674463 CPPDFLQHLJPKQQ-UHFFFAOYSA-N 435.622 4.979 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1ccc(C)s1 1722675046 IXYKBBDFNLHILZ-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE COCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CCC1 1730510793 GIAVPQZQOHGBKZ-SFHVURJKSA-N 441.551 4.504 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@H](F)C1 1740658207 FPOTUQXDKJMESG-AEFFLSMTSA-N 449.357 4.765 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1740783025 FFRQIWGVPHYHMU-KRWDZBQOSA-N 443.567 4.668 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)c2nccs2)CC1 1740818600 OIKVSDYVEQHOHK-IRXDYDNUSA-N 427.549 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740852419 NFRLQKUEMICVKH-DVECYGJZSA-N 428.577 4.508 30 10 IJEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1740876237 PICIEOUJVKCCQV-LSDHHAIUSA-N 441.523 4.608 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C(C)C)N1CCCC1 1740892537 XBVDBQYIETULRE-FGZHOGPDSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CSCCS1 1740923522 NZZCQTNIHZGKJK-ROUUACIJSA-N 436.672 4.622 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCCN(C4CCCC4)CC3)nnc2C(C)(C)C)cc1 1740969320 XJBAAMWIXTYZIR-UHFFFAOYSA-N 437.632 4.643 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(C)CC1 1740970664 AXEQODMWJSUEIU-FYYLOGMGSA-N 436.600 4.966 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCOC(C)(C)C)C1 1740972687 LFGMRFHHTCMFNJ-LEWJYISDSA-N 442.604 4.631 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2CCN(CC)CC2)C1 1740973681 BRJOGOKVVGOHBT-QFIPXVFZSA-N 444.023 4.502 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C(C)C)N2CCCC2)C1 1740975461 VCGVLKGDPTVBTI-YADHBBJMSA-N 444.023 4.500 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC1CC(OCC)C1 1749078770 PCBWAGBBCIEXFV-SXKUEDQZSA-N 442.991 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1cccn(CC)c1=O 1749171247 STRIFQXPZHFLFM-UHFFFAOYSA-N 437.613 4.511 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749364059 LOVADENXBPAQCY-IBGZPJMESA-N 433.556 4.527 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749390619 HJDHGGDRXYGAQS-RBUKOAKNSA-N 432.515 4.766 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1cnccc1OC 1749536520 NMJAOLRUSSIOMS-UHFFFAOYSA-N 442.567 4.527 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(c2ccnn2C)CC1 1749620780 SQOUIGQHFUGETI-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1749754217 HNLMNGHSUARZCV-DYESRHJHSA-N 430.593 4.960 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CC3(C)CCOCC3)cc2C1 1752081129 DDCWHWLKNLNADJ-DLBZAZTESA-N 427.618 4.686 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1sccc1C 1760242583 INDXSCUEXMIGOO-FQEVSTJZSA-N 438.597 4.539 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1760275497 YNOHBEQRJQUSGH-BEFAXECRSA-N 436.984 4.528 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC1CCCCC1 1760283888 BYRFPIDBNFUUPY-UHFFFAOYSA-N 426.630 4.857 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCOC2)C1 1760406618 IJUXKAZYLWQCFV-KOSHJBKYSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760435129 YUPSABISWNCOET-OAHLLOKOSA-N 448.398 4.713 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CC1(OC)CCC(C)CC1 1760499136 PJWJLHSDCWLCMW-UHFFFAOYSA-N 446.599 4.566 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[C@H]2CC)C1 1760536199 FELDQQWADULXJI-JFIYKMOQSA-N 448.409 4.643 30 10 IJEE C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1763207357 DCETYGCHQMSTSH-NVXWUHKLSA-N 431.943 4.540 30 10 IJEE COc1cc(C=NNc2nnc3c4ccccc4n(C)c3n2)ccc1OCc1ccccc1 1772764999 NTMZHSVJWYVHNN-UHFFFAOYSA-N 438.491 4.550 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCCCCCC(=O)O)n2)ccn1 1857835169 HQBGDXMOIABLSW-UHFFFAOYSA-N 431.540 4.927 30 10 IJEE Cc1ccc(NC(=O)c2nc(C(=O)Nc3cccc(C#N)c3)n3ccccc23)cc1Cl 1858242340 WSBBJQZIPBSXOY-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE COc1cc(C(=O)O/N=C(\C)CCc2ccccc2)c(Br)c(OC)c1OC 1860469075 HEXUJCYVHRHNLF-LPYMAVHISA-N 436.302 4.640 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1862489320 UWTSMFGFBBLZJO-DEOSSOPVSA-N 443.499 4.536 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1F 1862507068 ZBTAVIISNNCLKF-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCC)c(OCC)c1 1862513153 YOTZBRPBWMVWAL-JOCHJYFZSA-N 441.499 4.920 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862557618 KWOZYHZPNJFVEA-OYHNWAKOSA-N 443.459 4.517 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(Br)c2)c1 1862566192 QFNBGDNKIXAHIE-IBGZPJMESA-N 441.325 4.552 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(F)c2)cc1OC 1862571843 PYKVJSJVJWBIKA-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC)c1 1862664440 JAKPOJVEDBAEFW-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1C 1862686659 BDEZIXKIWRZXAV-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1 1862725988 WOQZJAFZOSWFDK-HSZRJFAPSA-N 449.453 4.593 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C(=O)O 1862726210 AOYRZPJXUYGCOP-JOCHJYFZSA-N 427.456 4.650 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(F)cccc1Cl 1862755974 IKYITHTUMRFQAM-SFHVURJKSA-N 432.835 4.766 30 10 IJEE CCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(OCCC)cc2)C1=O 1863685613 QCKQKVFVGYHEAV-JOCHJYFZSA-N 442.600 4.684 30 10 IJEE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866770272 CAZFLHOCXNMKRY-ATIYNZHBSA-N 435.568 4.929 30 10 IJEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868466784 CSJMREVTJICZSS-UHFFFAOYSA-N 436.519 4.981 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)nc(-c2cccnc2)n1 1869370062 XHEPURORGJQRGT-CVDCTZTESA-N 445.542 4.823 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(OC)cc1C 1870872677 RQANJZHOQFCWFV-UHFFFAOYSA-N 444.572 4.690 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]1 1871661965 KPWRYZQOHQFLQZ-UHFFFAOYSA-N 449.647 4.910 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1)S(=O)(=O)CCC 1871802077 WFJSQHOWZCHRQA-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)CCCC 1872218078 BSFSLDJNCBNOKV-FQEVSTJZSA-N 440.675 4.662 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872374591 RNPQGARONAYYDI-HXUWFJFHSA-N 436.524 4.566 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1cccs1 1872492631 CCWDOXASNMFJLK-UTKZUKDTSA-N 434.627 4.931 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc(Br)c1)n2CCCC 1873612564 BGBIWKUSMKIQNF-UHFFFAOYSA-N 428.334 4.844 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874267616 HANXDMORADBOLN-WSDLNYQXSA-N 430.917 4.593 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)cc1 1874442885 NAFCFRLDUQGXFT-LSCMLXDISA-N 425.533 4.509 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874483124 FUZQOKOLBGLUFB-SSDVNMTOSA-N 429.477 4.503 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)cc1 1874493419 LOUWQFJLQPVDGJ-PCLIKHOPSA-N 449.580 4.947 30 10 IJEE CCCSc1nnc(COC)n1/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1874502694 VBJASFSQAYLLDP-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE CCOc1c(/C=N/n2c(C)nnc2SCc2c(F)cccc2Cl)cccc1OC 1874535006 MXMLEGDIKHXWTD-FOKLQQMPSA-N 434.924 4.961 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)NCc1ccco1 1874632939 CZBYMPCFBVHZHE-DHZHZOJOSA-N 433.504 4.886 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc2c(c1)OCO2 1875120359 QIIWJTBLFKFGKT-JXMROGBWSA-N 432.428 4.548 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1Cl 1875188920 PRHPUTPBEGMVAO-VMPITWQZSA-N 438.823 4.767 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3cc4ccccc4n3-c3ccccc3)C2)c1 1891611791 ITFFGMOKZNSLDT-OAQYLSRUSA-N 436.515 4.828 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)c2cc(-c3cccc4ccccc34)on2)CC1 1891709075 NRYGPUOSOLHPPZ-UHFFFAOYSA-N 438.487 4.693 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 1903084188 RGRBDUAFJPBXMA-KUHUBIRLSA-N 433.471 4.634 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1934662726 AXEMPORXQISTGA-JXQFQVJHSA-N 427.545 4.715 30 10 IJEE CCC#CCNc1cc(Br)c(I)c(Br)c1 1962116810 DCVYMMZCITZSHU-UHFFFAOYSA-N 442.920 4.642 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2)C(F)(F)CC1 1965668040 NAEWQURSPXYCHG-HNNXBMFYSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2007656109 IXGAWJFCMQYNEP-UHFFFAOYSA-N 434.541 4.654 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC12CCOCC2 2037761017 YBKNMVBAXWDAGN-DEOSSOPVSA-N 449.592 4.618 30 10 IJEE CCc1nn([C@H](c2ccc(OC)cc2C)C(C)(C)C)c(I)c1C#N 2079844208 KYFMRSFAEQMRLE-QGZVFWFLSA-N 437.325 4.874 30 10 IJEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C=NO)c2Br)cc1 2080074366 JTWYIDRMGNNQQS-IBGZPJMESA-N 434.334 4.892 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(C#N)c2)C(F)(F)CC1 2106011642 UGJUNMJEKQWFMK-HNNXBMFYSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2F)C1(C)C 2127899034 JOJAZJAOJKQDOR-TZMCWYRMSA-N 426.330 4.811 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181145475 HHUADFOJXWAGIJ-QRWLVFNGSA-N 436.350 4.733 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1(C2(NC(=O)OC(C)(C)C)CC2)CC1 2235727638 PTCOSQTZKJYTLM-GOSISDBHSA-N 433.390 4.616 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1cccc(F)c1I 2235745488 CTZKMRUITNYILM-OAHLLOKOSA-N 444.085 4.505 30 10 IJEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)C3CCC3)c2Cl)OC1(C)C 2243432258 WXTVTUWNMLPAHH-UHFFFAOYSA-N 431.794 4.896 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2247900146 UHRQMXHXCRAXHJ-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE Cc1cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)ccc1NC(=O)OC(C)(C)C 2254754270 IURWIKLFFWWIGI-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCCN(C(=O)OC(C)(C)C)C12CC2 2262208404 XJNDUMXCKKYCBL-VWLOTQADSA-N 445.556 4.553 30 10 IJEE C[C@@H]1C[C@@](C#N)([C@@](C)(O)c2cc(Br)c(Br)s2)CCS1 2266453329 FYGVDAVWRHKFJO-JCOFBHIZSA-N 425.211 4.906 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1 2268639916 SNLLWDSBAKVRSB-LJQANCHMSA-N 442.365 4.792 30 10 IJEE CC1(C)OB(c2cnc(Oc3ccc(Br)cc3Cl)c(F)c2)OC1(C)C 2269011119 AVDPORMPWRZABB-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C=C[C@H]1COCCN1[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2269838890 LHZXVSSAIMVPFR-IZZNHLLZSA-N 444.575 4.731 30 10 IJEE CN(CC[C@H](Nc1cc(Br)cnc1C#N)C(C)(C)C)C(=O)OC(C)(C)C 2278534270 SGMJWXHXDSHNDU-INIZCTEOSA-N 425.371 4.799 30 10 IJEE CC1(C)OB(c2cnsc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)OC1(C)C 2282613012 INUWFGVOYABRKF-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2296215845 FCGUOKXNASUNDH-FUMNGEBKSA-N 433.390 4.567 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 2296218272 CHZGDAKRTWCRAQ-VQTJNVASSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)F 2296271363 DZGOPHASGSPIBX-MSOLQXFVSA-N 441.385 4.810 30 10 IJEE C[C@H](C[C@@H](N)C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296282094 SFOIGMBMNFMGPB-KPFFTGBYSA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)nc1 2296295468 DGNSSVQAAJYTLK-GOSISDBHSA-N 430.346 4.893 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C 2296296159 KRYWXBLWPCERLJ-SJORKVTESA-N 445.348 4.669 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CCCC1CN(C(=O)OC(C)(C)C)C1 2296301094 QPFPPPXJMOQTRO-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1OC 2296303868 ZXZSYZGJQKUJAS-FQEVSTJZSA-N 429.900 4.579 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1C(C)C 2296303953 AOQVEXWOJCQKAW-JQVVWYNYSA-N 435.406 4.718 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)c(OC)c1 2296865697 CCLKGULYEIASJC-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCCCCCCC1=NN2C(=N)C(=Cc3cc(OC)c(OC)c(OC)c3)C(=O)N=C2S1 2297500308 ZBKAEPCORURCRA-UHFFFAOYSA-N 444.557 4.692 30 10 IJEE CC[C@@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317353629 INRMXLDFKVGTDF-JKGDOXCYSA-N 432.370 4.751 30 10 IJEE C=CCSc1nnc(C)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2321166002 RBCRMLMLTBBAMH-UHFFFAOYSA-N 428.945 4.988 30 10 IJEE COc1ccc(Br)cc1C=Nn1c(S)nnc1CCc1ccc(C)c(C)c1 2322044818 MMRLPKRDUFFWDA-UHFFFAOYSA-N 445.386 4.622 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(C[C@H]2COc4ccccc4O2)CO3)C1=O 2322234775 UMGKTXHRVQIYQU-IBGZPJMESA-N 441.483 4.603 30 10 IJEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccccc2OC)C3)C1=O 2322318118 LUPLACSPLZXWSD-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1cc(C=NNc2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 2322922918 BGSHCFCNYWIIPR-UHFFFAOYSA-N 449.463 4.943 30 10 IJEE O=C(C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc2c(c1)OCCO2 2323181965 YUJQWJDDEVUICM-UHFFFAOYSA-N 440.455 4.582 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1OC 2323438322 RPJLGLJUHFDAHC-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(OC)c2)cc1 2323648519 MTSCRZZIQFAQGE-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)NCc1ccccc1 2323711015 PRLKFCYIACECOI-UHFFFAOYSA-N 445.515 4.685 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCc1ccc(C(=O)OC)o1 2323714054 UMEVCQNGUFVQDO-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323882177 KDYSGDDQLOGANN-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)o1 2324464714 YDLVNJCXXBQWLU-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(C(=O)OCC)o1 2325589733 DEZGUPDTKODPHE-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE CCN(CC)Cc1ccc(COC(=O)C(=O)C=Cc2ccccc2Br)cc1 2325723984 NEKBYZGLSRMKRG-UHFFFAOYSA-N 430.342 4.617 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccccc1F 2325744924 KLMQGBPBJYIKHY-UHFFFAOYSA-N 434.419 4.721 30 10 IJEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1OC 2325745412 JNQQHRKERAGTPD-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE COc1ccc(OC)c(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c1 2326112489 UXJRPGZQZNOBFI-UHFFFAOYSA-N 446.960 4.749 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OC)c1OC 2327970572 YKBTXRYZOWSSAC-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE CCOc1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SC)cc1OCC 2328711802 OZVXEBFNZPISRH-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)c1 2330627399 WBTDLBSAWFWSCG-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331030690 AZJYSFGGBLBFIA-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331033872 COPVAXSHRWWDOT-UHFFFAOYSA-N 428.397 4.503 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2F)o1 2331069059 MTFQPEXCWQDLOA-UHFFFAOYSA-N 428.489 4.629 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1F 2331451100 NLAUXMFQKAKXGI-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCOc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c1 2331688818 FDECMCSSVWXVHJ-UHFFFAOYSA-N 425.514 4.883 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 2331724104 VRSMVYFEGOTOJI-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362709003 NNVMLTAZJDCLKR-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)C#Cc2ccn(C3CC3)n2)c1 2366108853 MEQXBJHZXFNFST-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE Cc1scc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)c1Br 2369507276 NPBOHAPKSNHOBL-UHFFFAOYSA-N 440.143 4.510 30 10 IJEE C=CCN1C(=O)/C(=C\c2cccc(OCCOc3cccc(OC)c3)c2)SC1=S 8872462 JOHZMWWBJGKGFV-XSFVSMFZSA-N 427.547 4.540 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(Br)cc2)nc2ccccc12 12239653 NMJIZSBOICFHQJ-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1OC 16694359 VPCMWOVEZJHPQZ-PDGQHHTCSA-N 427.298 4.829 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O 23559688 UFMUQQSCIJKYAM-GDBMZVCRSA-N 427.595 4.619 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(OC)c2)S/C1=N/c1ccc(C)c(Cl)c1 58946459 WHGKEOMJJPDXEJ-JQBIEYAESA-N 431.945 4.637 30 10 IJEE CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O 97943292 UTSXERRKRAEDOV-UHFFFAOYSA-O 435.695 4.548 30 10 IJEE N#Cc1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)ccc1OCC(F)(F)F 107573149 CCMZJARXOLIBAA-UHFFFAOYSA-N 433.361 4.865 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170031124 FERAUNDXQFTIDO-HSZRJFAPSA-N 442.471 4.938 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccccc2)c1 170056051 PTJOEDQZBHCZJS-QFIPXVFZSA-N 439.471 4.663 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)c1 170097657 SNTRAJTVHPODRG-QHCPKHFHSA-N 442.471 4.938 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OC)c1OC 170126975 BJANQGSWTCPDMZ-IBGZPJMESA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1)c1c[nH]c2ccccc12 170173397 CMCWFNVLJDRYOA-NRFANRHFSA-N 429.863 4.999 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)c(C)c1 170185090 YBQOGCDYFKKBBF-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1cccnc1 170195940 DYIQCCKEPWJILU-FQEVSTJZSA-N 444.915 4.521 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170239347 OMRYUCPVVWLZHN-QHCPKHFHSA-N 445.446 4.639 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(O)c2)c1 170258759 FHUCGECAXXCAOP-QHCPKHFHSA-N 445.471 4.668 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1ccco1 170316410 CQUHINKUSFBEAT-VLIAUNLRSA-N 435.501 4.751 30 10 IJEE O=c1c2c3c(sc2nc(NN=Cc2ccc(F)cc2)n1Cc1ccccc1)CCCC3 252620105 LXMAXLDESAXMRM-UHFFFAOYSA-N 432.524 4.970 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1OC 254789682 XWWXQRYCCRTBSI-YTGHUJMRSA-N 427.551 4.698 30 10 IJEE O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F 410400895 CWDWUYBAWLYPMH-UHFFFAOYSA-N 426.244 4.946 30 10 IJEE Cc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1NC(=O)c1ccc(Br)cc1 436006303 JOEITCSQKZLTSL-UHFFFAOYSA-N 435.281 4.529 30 10 IJEE N#CCC[C@@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 438865073 FJXLZYNKURLXGM-IRLDBZIGSA-N 436.943 4.842 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)[C@H]2C 439883986 RGWCCGNRUWIGHT-HNNXBMFYSA-N 435.915 4.936 30 10 IJEE COc1ccc(F)c(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 446443373 DHIIVRVASRCSFH-UHFFFAOYSA-N 441.299 4.969 30 10 IJEE N#Cc1cc(N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)ccc1C(F)(F)F 480116300 LNXSTPZNZNTULK-OAHLLOKOSA-N 431.462 4.813 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 489671281 JBTZTHQEWMZCBR-JOCHJYFZSA-N 448.592 4.637 30 10 IJEE Cc1cc(C)nc(-n2nc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C)n1 490721221 RFULPKMLJXGKBF-QGZVFWFLSA-N 448.939 4.855 30 10 IJEE C=C[C@H](CC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 501217986 ZXHTVNQQQWLGKQ-KNQAVFIVSA-N 428.536 4.728 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 508474999 XJHYYEXVPWDCJF-CJAUYULYSA-N 434.515 4.769 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)Cc1cc(C)on1 508697141 IUDRKUQLXKOLJV-UHFFFAOYSA-N 433.487 4.782 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 508908194 RFIJBDFDVXGIHA-MSOLQXFVSA-N 440.979 4.602 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1 511017708 QIAJPRAUQQJPNF-LJQANCHMSA-N 447.539 4.521 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 536498823 YDYHDDNFNPIUDC-UHFFFAOYSA-N 436.508 4.646 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 577563377 NGCYEEBCZKWIQM-UHFFFAOYSA-N 434.500 4.693 30 10 IJEE N#Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586135176 XJHKDCXYCYEONV-UHFFFAOYSA-N 432.332 4.651 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 733337671 QMBUPVOGVWBPIX-WOJBJXKFSA-N 425.326 4.605 30 10 IJEE CCOc1cccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC)c1 743738156 BVSYAXWQNVDWDQ-FQEVSTJZSA-N 425.554 4.682 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cc(N)cc(Cl)c2Cl)c1 747025662 VFEUPXCPZYCBTD-AWEZNQCLSA-N 434.323 4.685 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1=S 764915913 SRFFDQWOFRWGIT-SIKLNZKXSA-N 436.581 4.599 30 10 IJEE C=CCOc1c(Br)cc(CN2CCC[C@@](CO)(c3ccccc3)C2)cc1OC 802655543 ABGKHLZFGLBNJG-HSZRJFAPSA-N 446.385 4.549 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 803082928 PDIOAVAUFYWJLD-UAZFBGOLSA-N 427.545 4.636 30 10 IJEE O=[N+]([O-])c1ccc(Oc2ccc(C=NNC(=S)Nc3ccccc3)cc2)c([N+](=O)[O-])c1 1083946077 KZEFCPNHEUSCPY-UHFFFAOYSA-N 437.437 4.616 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C(=O)OC(C)(C)C)C(C)C 1125672437 LYCZGJJGLDJZEQ-QGZVFWFLSA-N 428.342 4.717 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(Cl)c3SCC(F)F)cc2C1=O 1126167371 HKVXYXCOWSOSAG-UHFFFAOYSA-N 436.867 4.732 30 10 IJEE C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1127418635 FBLYWCDQSUKDAY-LBPRGKRZSA-N 445.704 4.566 30 10 IJEE C#C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 1129602197 MWVYHHANANSBKD-HSZRJFAPSA-N 426.907 4.751 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](c1ccccc1)N1CCSCC1 1129702806 LWHKAQGQAVILSY-HXUWFJFHSA-N 447.398 4.743 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 1131105075 AVPHBPYMBFWYJG-PBHICJAKSA-N 433.936 4.591 30 10 IJEE C=CC[C@@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1136904740 YWLPZGBOYLVAOR-PKTZIBPZSA-N 437.584 4.795 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 1142422427 HGDPSYVUEAMFKF-JTHBVZDNSA-N 433.552 4.578 30 10 IJEE C#C[C@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)c1ccc(Br)cc1 1159634886 SVALZBOZBKUGFX-AWEZNQCLSA-N 428.252 4.524 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 1161720245 OLVPYMMBGLNCLH-UHFFFAOYSA-N 434.989 4.541 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCC3)C(=O)OCC 1164647444 PIVVMKIRLASUHY-UHFFFAOYSA-N 440.590 4.764 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C 1169524645 FGBJECZUTJAOPY-UWJYYQICSA-N 432.486 4.911 30 10 IJEE C=CCCn1cc(CNC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)nn1 1177289681 IBJHGKOOHYOUGQ-JOCHJYFZSA-N 439.654 4.527 30 10 IJEE C=CCn1c(SC[C@@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)nnc1C1CC1 1188268578 CRPMJCCUXBNKPM-GOSISDBHSA-N 444.601 4.751 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)CC2)cn1 1199938004 AGBPADBCHXIMBT-UHFFFAOYSA-N 435.890 4.767 30 10 IJEE N#Cc1ccc(CCNC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 1226814972 CDSHVMKLGSRIBE-UHFFFAOYSA-N 435.531 4.512 30 10 IJEE C#CCC1(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CCCCC1 1227069725 KKZKJTSAIXSVQO-NRFANRHFSA-N 432.008 4.517 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1230817191 KJKBTFJEKLMLEE-WOJBJXKFSA-N 433.568 4.820 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)c1ccc(Cl)cc1 1252449400 PMEPANJQBBUCRM-FQEVSTJZSA-N 445.922 4.678 30 10 IJEE C#CCOCCC(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 1265078315 MSBPVPQEOLBOBS-UHFFFAOYSA-N 428.326 4.772 30 10 IJEE COCCN(CCOc1ccc(F)cc1)C(=O)c1ccccc1Oc1ccccc1C#N 1265127568 CAQGBPXZZBYXBS-UHFFFAOYSA-N 434.467 4.657 30 10 IJEE CC(C)(C)Oc1c(F)cc(NC(=O)COc2cccc(Br)c2C#N)cc1F 1266542583 BNYPOXLPTDUKJM-UHFFFAOYSA-N 439.256 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCOC1CCCCCC1 1286280652 CMZLSWVDDVCKIY-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1286328240 NIZYNJAVQIPEAQ-LEWJYISDSA-N 441.645 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCC1 1286528705 LQRTVKLVIPXIGJ-ZYLNGJIFSA-N 439.604 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCC1 1286528742 MUKQZKPLPQTWSU-HSZRJFAPSA-N 444.048 4.702 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286589795 DNYOPUYYANXPNO-RTBURBONSA-N 431.378 4.740 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCOCC1 1286620000 FPRBSOGTDUNTHQ-INIZCTEOSA-N 425.360 4.668 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](OC)C2CC2)CC1 1286649407 NMYUDQVFSGPDLU-LJQANCHMSA-N 437.371 4.745 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)OCC)CC1 1286655080 NPLVPGZHKPCVPE-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2Cc2nccc(C(F)F)n2)CC1 1286655987 UWLHGSINCIDXPE-UHFFFAOYSA-N 430.890 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1Cc1cccnc1OC 1286750225 UOJMLPIODVGAIZ-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC[C@@H]1C 1286754065 PINOLGWFESQSHX-IRXDYDNUSA-N 431.378 4.559 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1C(F)(F)F 1286769922 DEFAFWXRNOWEJF-UHFFFAOYSA-N 440.267 4.877 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCc2cccc(Br)c2C1 1286830469 NMQNOOHMXUIXQD-UHFFFAOYSA-N 433.419 4.790 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1c(C)noc1C 1286830995 YMXFHNXMCUSJKY-UHFFFAOYSA-N 434.569 4.654 30 10 IJEE C=CC[S@](=O)(=NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 1289585785 DJWBADKVCZSPQB-SSEXGKCCSA-N 441.431 4.655 30 10 IJEE C=CCOc1ccccc1CNC(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1293524980 KRYNGKCGHUGJSU-UHFFFAOYSA-N 444.560 4.960 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C 1297341907 NFESVWRJBXRGCD-GOSISDBHSA-N 444.963 4.894 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](CCO)c3cccc(C(F)(F)F)c3)o2)cc1 1298312696 HXHSYTZOQJQJFU-FQEVSTJZSA-N 444.409 4.603 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(CC(C)C)CC2)c1 1299937298 GSSUCFSKDZEEQC-UHFFFAOYSA-N 437.588 4.919 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1300362996 WAMZWAVOZQWFSP-ATKRNPRHSA-N 428.621 4.540 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1300422014 WIPBRAABUMPXQG-FGZHOGPDSA-N 437.632 4.621 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(Cl)nc1 1300438596 ODIBMTTYMYIHJU-UHFFFAOYSA-N 428.348 4.979 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCC(F)(F)C1 1300511008 CQCJOBPEADENMS-KRWDZBQOSA-N 448.464 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccs1 1300901376 NVFZJLUTBVGVLQ-HSZRJFAPSA-N 432.634 4.760 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC)c(OCC)c2)CC1 1301129601 XLLCTXCNUGLUNJ-UHFFFAOYSA-N 438.597 4.788 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1301136157 ZSSHVXQPNUIZJQ-LJQANCHMSA-N 436.478 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301139032 KKNSMAYRMDYSSL-UZUQRXQVSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301144008 SNMMSFZWDXUBTL-PMACEKPBSA-N 448.970 4.724 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1CCCCC1)c1ccccc1 1301162861 DKSHVBHSIFBCNN-HSZRJFAPSA-N 435.616 4.891 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCCc1ccccc1 1301312855 OXCCRHFXHVEOPE-OYRHEFFESA-N 439.604 4.694 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1C[C@@H]1C 1301346550 DZDSKXDXYVLDMQ-FUHWJXTLSA-N 440.389 4.895 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CCN1CCCC(C)(C)C1 1301354499 BPKFSTVIOMNMSO-UHFFFAOYSA-N 427.612 4.930 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1nc(C(F)(F)F)cs1 1301379711 QLBOOFZXRYVTHX-UHFFFAOYSA-N 435.475 4.656 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)c2nccs2)C1 1301542003 HSKLEMFARLAVRB-QAPCUYQASA-N 429.977 4.640 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccnc3)Cc3ccco3)cc2)nc1 1310210556 CHVBVLGIHZXRNG-UHFFFAOYSA-N 425.448 4.968 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(F)c(F)cc1Br)c1ccc(Cl)cc1F 1312655892 IQBSXBFBESZKLQ-MRXNPFEDSA-N 431.639 4.694 30 10 IJEE COCC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1315850967 ICUNDAHSKUOEFG-IBGZPJMESA-N 439.604 4.667 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1348037929 XMHZGRXASFCOKR-CQSZACIVSA-N 445.397 4.547 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(OC)c1 1349158706 PTEMTBJNAIEDRK-SFHVURJKSA-N 434.319 4.941 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1ncccc1C)c1ccc2c(c1)OCCO2 1350583599 NXXLUXQMESPOMF-ACCUITESSA-N 442.515 4.973 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cccc(-c3nc(C)cs3)c2)CCCN1C(=O)OC(C)(C)C 1352300545 QNBMIUSHQYLZIC-QHCPKHFHSA-N 426.538 4.817 30 10 IJEE C=CCC(CC=C)C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1353674516 PASPPVZUJYPXIU-VBKFSLOCSA-N 439.364 4.914 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(C(C)(C)C)cc3)C(F)(F)F)cc2C1=O 1355714674 LEPJKDMCTWJPBB-LJQANCHMSA-N 444.453 4.800 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)c1 1356026048 DBBZYBXMCZSBIN-UHFFFAOYSA-N 444.343 4.809 30 10 IJEE C=CCC[C@H](C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1)c1ccccc1 1357193567 XVPZYJUMUYWTNC-IBGZPJMESA-N 425.330 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CC)CC1CC1 1359092637 DBBMNFIBYKUNLL-QUCCMNQESA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359100328 ZYPRQYVOIIMFPP-ZEYPLWLESA-N 442.579 4.565 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CC1 1359169619 OSAGFTKTAIPXQS-SLFFLAALSA-N 427.593 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1359184078 BMIYERUTGBNYSU-KRWDZBQOSA-N 444.601 4.553 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1sccc1Br 1359196981 ZSBWHGNAZZIPST-UHFFFAOYSA-N 447.406 4.790 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)CCc1ccc(Br)cc1 1359201506 PXEKWVUGIBVAPZ-UHFFFAOYSA-N 441.377 4.533 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(C#N)CC1 1359218729 TXUWYIBTMJCUMO-UHFFFAOYSA-N 427.980 4.958 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359223839 XPUHTJFMSBLMFH-DHIUTWEWSA-N 438.616 4.983 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1359227729 KAKUDKGATCIXPK-HSZRJFAPSA-N 435.616 4.790 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1sc(C)nc1C)C1CC1 1359252490 TVNTWNYZWHXSPW-UHFFFAOYSA-N 429.540 4.618 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CSCCS1 1359262519 WIBOTDZRPJCNQQ-KRWDZBQOSA-N 432.640 4.949 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)Oc1ccc(C)cc1 1359263941 QGAGGWRLVIRWEV-UXHICEINSA-N 438.597 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1=CCCOC1 1359268494 RVESLUHBGRLZGP-UHFFFAOYSA-N 449.780 4.886 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC(C)CC1 1359275454 URAFVYBPRNMUFJ-QHCPKHFHSA-N 446.643 4.639 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCCCC1 1359279362 CQOMLEHOJUJCFR-UHFFFAOYSA-N 439.387 4.586 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@](C)(O)c2ccsc2)c2ccccc2n1 1361044881 HNBMTZCLEGLJHD-BXKMTCNYSA-N 446.580 4.509 30 10 IJEE Cc1nc(SCC(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)c(C#N)c(C)c1C 1436156880 BQFXURMUWAKUQE-INIZCTEOSA-N 436.364 4.917 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2ccc(-c3csnn3)cc2)n(-c2ccc(C#N)cc2)n1 1436221517 IDDXUCHEMDLCPO-UHFFFAOYSA-N 428.521 4.812 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)cc1 1436300087 PJZMKKCKAZYZFR-QFIPXVFZSA-N 448.563 4.573 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)c1ccc(Cl)cc1F 1436652573 KZYRGTZTFKSPTQ-GOSISDBHSA-N 442.899 4.906 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCC1 1443591741 YVKZOHGSESJKKX-XMMPIXPASA-N 445.563 4.892 30 10 IJEE C=CCc1ccc(OCC(=O)N(C)c2ccc(NC(=O)OC(C)(C)C)cc2)c(OC)c1 1454279632 YNWPEMDIXJWMKA-UHFFFAOYSA-N 426.513 4.813 30 10 IJEE C[C@H](N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1)C(F)(F)F 1457062681 BSCJNWUXEMJCRC-AWEZNQCLSA-N 437.849 4.713 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)Cc2ccc(Br)c(F)c2)cc1OC 1458929699 XPZQRLYSBNOTFB-JXMROGBWSA-N 434.305 4.833 30 10 IJEE COc1cc(C#N)ccc1OCCN(Cc1ccc(Cl)cc1)c1ccc2nc(O)[nH]c2c1 1459697713 FRGDOGMIEPPGOF-UHFFFAOYSA-N 448.910 4.888 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 1461771172 YCCHBBOGJCYHFJ-UHFFFAOYSA-N 438.952 4.779 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)cc21 1463118487 BNHRGCZPLSXMHF-NGHDKMLMSA-N 448.954 4.909 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 1465389255 HWKBYOCQVRNHDQ-UHFFFAOYSA-N 430.980 4.728 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1465781055 FRGNDEVFAJFRKT-MRXNPFEDSA-N 441.503 4.745 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(Cc2ccccc2)cs1)c1ccc(Br)cc1 1465980563 HJNZRLYTWSWECO-GOSISDBHSA-N 426.339 4.992 30 10 IJEE CC(C)(C)c1csc(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1C#N 1466646470 DSNNHFNMSZLVGO-UHFFFAOYSA-N 425.341 4.984 30 10 IJEE Cc1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)nn1-c1cccc(C(F)(F)F)c1 1467448423 DCQCTSISRGETMQ-UHFFFAOYSA-N 425.414 4.898 30 10 IJEE CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3ccc(Cl)cc3C#N)nc(=O)c2c1C 1472997243 IBUJYRFBVOLANX-SNVBAGLBSA-N 433.942 4.848 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)N2CCC(c3ccc(C#N)cc3)CC2)c(Br)c1 1473836560 BXQJVHQAIZTEJR-INIZCTEOSA-N 426.358 4.836 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1474731450 JHSOLWIFKGKDRK-RYUDHWBXSA-N 447.753 4.955 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 1475903228 YCKLLYVAEVRVDE-UHFFFAOYSA-N 445.382 4.982 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccccc1 1478257082 HACUEEBRHBBENV-YTFSRNRJSA-N 427.976 4.718 30 10 IJEE CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1500463611 CTTGYESGVZWOOI-KRWDZBQOSA-N 426.721 4.603 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1507537357 UVGKXAGAMJNLEO-CVEARBPZSA-N 440.016 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1507545854 MPCQKMCWOWWWIT-ZWKOTPCHSA-N 432.515 4.539 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCCO1 1507573713 JFPBRRUAOPVYEM-AZUAARDMSA-N 430.980 4.717 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1507576531 MILOSZHLRKWWDB-HXUWFJFHSA-N 445.405 4.907 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(CCC)C1 1507763767 FOIPXDPGHKRCHQ-VMODYCNZSA-N 449.643 4.759 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CC=C(C(F)(F)F)CC1 1507808448 QTLZBLDKTVFTFM-QFBILLFUSA-N 438.519 4.610 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(CC)CC1 1507809065 SEKDJLBZJKWHAC-WIOPSUGQSA-N 438.616 4.680 30 10 IJEE C=C(Cn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1507850247 DJTHPNXMGQNAFU-QFQXNSOFSA-N 438.616 4.905 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OCCOC)C1 1507912204 PHFUPCBTHILDOF-HXUWFJFHSA-N 432.996 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1507913318 XMHUEYSTAASNEQ-UHFFFAOYSA-N 430.600 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1507919792 QKGOSMBRMWSVOF-HXUWFJFHSA-N 441.645 4.586 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1noc2c1CCCC2 1507967654 IXIIVZQIASUNGD-HNNXBMFYSA-N 427.936 4.609 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1)N(C)C 1508007219 WCCIMRRHQYHPBQ-HSZRJFAPSA-N 446.624 4.841 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1508010340 RBKMOEKRPCDBJW-OPYAIIAOSA-N 442.526 4.791 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](C)C2)cc1 1516302215 HFMFWMDXXRVJPF-LUCIHVKJSA-N 441.551 4.695 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)n1 1522136625 ANQIPSFVTMQIJL-UHFFFAOYSA-N 425.197 4.920 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)c1 1524540183 HPPDILMWLNLTTM-SSEXGKCCSA-N 434.395 4.610 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)[C@H](OC)c2ccc(OC)cc2)s1 1527126583 FPCAYXGPBDNCSU-LIRRHRJNSA-N 441.018 4.740 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)CCCN1C(=O)OC(C)(C)C 1529422214 TVVVWTAKJDZHNB-XMMPIXPASA-N 445.629 4.833 30 10 IJEE C#CCN(CC#C)C(=O)c1cc(/C=C/c2ccc(C)o2)nc2ccc(Br)cc12 1532346446 CVMMRPXCPFMNEJ-CSKARUKUSA-N 433.305 4.778 30 10 IJEE C=CCc1cc(CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC 1535674058 JQBTYAWVKSWMML-UHFFFAOYSA-N 440.540 4.638 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1539075670 DNXJRUDJEVFOTL-UHFFFAOYSA-N 445.464 4.862 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccncc1Cl 1539251811 QZZFYBXUBSRIIX-UHFFFAOYSA-N 447.970 4.540 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC[C@H](C)C1 1539359685 OGOLSQQVNIVJKG-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CCSCC 1539628553 RGGAXHRNESFIBO-SBHAEUEKSA-N 429.634 4.598 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC(C)(C)C 1539639690 AZVJAFDGEGZGJD-NFBKMPQASA-N 426.605 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1539647695 XUHBFLUUJINZQR-SQMWVJLWSA-N 444.645 4.553 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1Cc1cccs1 1539787852 VPXHZFSEHKKHEL-QGZVFWFLSA-N 444.988 4.988 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1539848444 VGNSUHYHYPWHDD-UHFFFAOYSA-N 426.561 4.556 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1539878233 WLXHKOCRBIOMRJ-QHCPKHFHSA-N 426.948 4.810 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(OCCC)nc2)CC1 1539891674 IUUAKGDEQUPJQK-UHFFFAOYSA-N 431.584 4.812 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2N(C)CCCC2(C)C)CC1 1539896045 GDDUDNNZPYLHDC-JOCHJYFZSA-N 441.595 4.519 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cc(Cl)ccn1 1539963215 OLWMQUJTXRXKTM-UHFFFAOYSA-N 449.946 4.635 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1539989010 MUUFNIPQIGMTBK-GOSISDBHSA-N 442.951 4.649 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCN1CC)C1CC1 1540095955 ZRWPTCMVANNFLH-GHTZIAJQSA-N 427.568 4.586 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1540854504 LUZBGFJSDKJISF-WBVHZDCISA-N 426.362 4.615 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1541806150 FYOMYUGJGDDHFO-WIYYLYMNSA-N 441.551 4.616 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2Cc2cscc2C)cc1C 1542424144 HYNCTJCBQQSPOA-UHFFFAOYSA-N 448.596 4.696 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 1543923821 BCWQTYDHKWNBDQ-UGKGYDQZSA-N 440.588 4.916 30 10 IJEE CSC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CC1 1555858342 GSVXTMMRIBKGGD-HRAATJIYSA-N 429.565 4.583 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)nc2sc3c(c2c1=O)CCC3 1559328545 FEBZBKUXPWEWMZ-LBPRGKRZSA-N 445.997 4.905 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCc2ccccc2C1 1562673317 FVDPSXRZOFGOIL-LJQANCHMSA-N 426.520 4.919 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(OC)c1OC1CCCC1 1565700298 WNNXXWQVEWBGGJ-UHFFFAOYSA-N 447.535 4.697 30 10 IJEE C=CC1(CC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)CN(C(=O)OC(C)(C)C)C1 1566274811 VOMWABAFGZRGLI-UHFFFAOYSA-N 445.947 4.733 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Oc1ccc(Cl)cc1C)c1ccccc1 1586782354 IPSCKHPCESPFOM-QFIPXVFZSA-N 427.928 4.572 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOC)CCCCC1 1587603145 HBHWWTJWMKLCDT-FQEVSTJZSA-N 431.584 4.938 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)C1 1587788211 YHVZWVNLIOQFAQ-UHFFFAOYSA-N 437.371 4.583 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(C)(C)OC(C)(C)C1 1587827243 INEWBOXVHUXYIT-UHFFFAOYSA-N 448.567 4.924 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1587830780 BNDKBXCZYCMJJN-AWEZNQCLSA-N 427.886 4.809 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCCC2(CC2)C1 1593702902 ABCHQDWWKUHVKI-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C(Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1C(C)(C)C)c1ccccc1 1593795936 BPXOETGMHREIFM-JOCHJYFZSA-N 436.522 4.819 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](COC)C1 1593840267 DPNOKTNGJXJIJK-OAHLLOKOSA-N 439.785 4.631 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(SC)CCC2)CC1 1594133910 GTFFTLKIGVXANM-SFHVURJKSA-N 447.649 4.792 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1594218830 USBWMCYCZHJULQ-KSFYIVLOSA-N 447.421 4.907 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1594484056 NDKIZLUANSSOGX-UHFFFAOYSA-N 437.573 4.612 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N1CCCCC1 1594866310 BXCYHGJYVHIERP-UHFFFAOYSA-N 444.004 4.838 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1C1CCCCC1 1595014361 XMWPIJFHYITBNU-YPAWHYETSA-N 429.653 4.616 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)c(C)c1)C1CC1 1595027068 XIVLSODPIDLHKM-UHFFFAOYSA-N 444.352 4.697 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1Cc1ccnc(OC(F)F)c1 1595119918 JMUSTAGSABTCCR-UHFFFAOYSA-N 445.489 4.952 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)c1ccco1 1595161757 KYYCIWRVAKVNGN-RUZDIDTESA-N 448.592 4.932 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1CCc1nc(C(F)(F)F)cs1 1595229158 PCOACXMEIKBDDA-UHFFFAOYSA-N 425.524 4.907 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)C[C@@H](C)c1nccs1 1595648444 CGXISTUNCDZUCR-GOSISDBHSA-N 446.580 4.650 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(C)cs1 1595658915 NFXPRETWHLUFFY-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1611159967 FYYLJPCRHOPHSO-GHTZIAJQSA-N 441.023 4.935 30 10 IJEE CCCC(=O)Nc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1614297426 DTNLVLLTKVJIOF-SANMLTNESA-N 448.615 4.928 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCOc1ccc(C(F)(F)F)cc1 1617198793 RXWLEEOEMIHGJD-MRXNPFEDSA-N 426.504 4.681 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC[C@]2(c3ccccc3)CC2(C)C)nnc1-c1ccco1 1618506800 IRSRBJPPYQVDHX-DEOSSOPVSA-N 436.581 4.690 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 1622506448 NFGFXVVCHTWZNH-KRWDZBQOSA-N 439.331 4.733 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 1624012558 NRZSPHVNRBUCCQ-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE CC(C)(C[C@H]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1)C(N)=O 1624478458 HKUATYCOKNERSU-HXUWFJFHSA-N 435.593 4.604 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1 1625197735 XYOSKXYINIPZRN-UPVQGACJSA-N 440.609 4.610 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1OC 1625214882 FPTXDXYLMYUXIF-ZRDIBKRKSA-N 434.580 4.822 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1626007601 TZAVISFKBHQGMA-HSALFYBXSA-N 436.980 4.649 30 10 IJEE C#CCC[C@@H](O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1626046945 SXASMASLYGUCRP-RUZDIDTESA-N 435.527 4.710 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CN(C)c1nc2ccccc2s1 1627692364 PNFPBGGDBGKBMJ-UHFFFAOYSA-N 448.361 4.849 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)cc1OC 1632829460 GXRLAHNDDRIOEL-GSQIGPBRSA-N 434.580 4.786 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1)c1ccc(Br)cc1 1636562190 INPNXVRQPOHVIC-FQUBMZHMSA-N 446.433 4.665 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C)C1CC1 1637243754 IKAIIDWPUYASTO-UHFFFAOYSA-N 426.582 4.929 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 1638333492 GABCNAFKJOWDDJ-DOTOQJQBSA-N 437.378 4.771 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1(C)C 1638563747 HKNZGJVIIDOYQC-FCHUYYIVSA-N 449.551 4.967 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1640186233 DEHHDMLVLWVEFS-WINIVTDRSA-N 430.548 4.566 30 10 IJEE C#CCN(C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1640949790 YEKHJPAADYBKFV-VWLOTQADSA-N 430.548 4.564 30 10 IJEE C#CCN(C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@H]1CCc2ccccc21 1644410556 CBFIKHPWSJVDLJ-SXOMAYOGSA-N 444.600 4.637 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)c1 1647130554 UOLIWJRMHNIPAC-PMACEKPBSA-N 441.531 4.807 30 10 IJEE Cc1ccc(-c2nc(C)c([C@@H](C)N(C)S(=O)(=O)c3ccc(C#N)c(C)c3)s2)cc1 1654243245 AWVYRLSHTFHFKB-QGZVFWFLSA-N 425.579 4.989 30 10 IJEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCN(c2ccc(F)cc2C#N)CC1 1655357556 GWVGMJPRODQKMP-UHFFFAOYSA-N 437.950 4.535 30 10 IJEE CC[C@H](c1ccccc1)N(CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1657118908 GWPCIGTVQADRMH-ZJSXRUAMSA-N 448.611 4.829 30 10 IJEE CC(C)(C)c1nn(-c2ccccc2)cc1CNC1CCC(Oc2ncccc2C#N)CC1 1657196868 GZLRCCZYIOQFBO-UHFFFAOYSA-N 429.568 4.916 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)Cc2ccccc2)c1 1657774453 IJKFEKSBMNJBHB-UHFFFAOYSA-N 439.559 4.795 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(Cl)c(OC)cc1Br 1659681309 XRCKYBBZRXUFJO-UHFFFAOYSA-N 448.741 4.627 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)c1 1662186622 BXHVJKSSZQSHIM-CTDFXDFQSA-N 445.382 4.967 30 10 IJEE C=CCCc1ccc(S(=O)(=O)Oc2cccc(CNC(=O)Nc3ccccc3)c2)cc1 1663095938 XLMUJVQHKNXYBZ-UHFFFAOYSA-N 436.533 4.895 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C)c1ccccc1 1667298228 ZIIVTUAGKCSKDZ-FQEVSTJZSA-N 429.586 4.901 30 10 IJEE CCN(C)Cc1cccc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1669880627 DLRIQDYDBYSBRB-UHFFFAOYSA-N 444.583 4.815 30 10 IJEE CN(CCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C(=O)OC(C)(C)C 1670053502 CHOGXGGARWVWJK-UHFFFAOYSA-N 426.542 4.698 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c2ccccc2)cc1 1670296673 DWLURTYCBWWBHC-OAQYLSRUSA-N 446.450 4.654 30 10 IJEE C=CCC[C@@H](NC(=O)NCCNC(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1 1678917187 WCDIQPYQIDVPBK-HXUWFJFHSA-N 433.474 4.750 30 10 IJEE C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1679185746 GCCKOIMXEUHEKW-KRWDZBQOSA-N 434.540 4.846 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1679189930 HXILJGTZAKDYQN-FCHUYYIVSA-N 439.600 4.868 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)c(Br)cc1F 1679468378 VCEJWZKYJNJBRB-UHFFFAOYSA-N 431.689 4.937 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)Cc3cc(OC)ccc3Br)cc21 1680802367 NYUCSEFICFLXDH-UHFFFAOYSA-N 429.318 4.657 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1682726251 SQBCPTZSVJELQE-LJQANCHMSA-N 428.527 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1689830875 DFDMFCFUUGIXAX-ZLNRFVROSA-N 433.644 4.574 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](OCCC)CC1 1689878502 KXXIIICMHWMQCL-QFIPXVFZSA-N 446.599 4.924 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C[C@@H]1CC 1690230040 OYMHIWJDXFEEJI-JSGCOSHPSA-N 425.321 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)CC[C@@H]1C 1690254167 YGVZYPKVBIGDSB-KCESLBEFSA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CC)CCCC1 1690262527 DTBMAXGNIIORJU-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CCOC)Cc1ccc(C)o1 1690279422 HSXASROONIVUNM-UHFFFAOYSA-N 430.936 4.738 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCS2)CC1 1690366073 PQAVAXNHHCXRBC-HNNXBMFYSA-N 437.382 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCCC1 1690433505 XHENCYXKQGIEOM-UHFFFAOYSA-N 437.636 4.681 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H]1CCCCO1 1690473779 HEQAPRXXABKVEI-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 1690515271 IYPVETQOIIEIJE-FQEVSTJZSA-N 435.538 4.717 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1690585349 ICJIGSINOCXORI-JXQFQVJHSA-N 442.991 4.881 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1690611455 MKRSWJSZDOILFH-IBGZPJMESA-N 446.039 4.748 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)C1 1691919027 CUMVFRKQMJKKAJ-LJQANCHMSA-N 449.628 4.886 30 10 IJEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CC1CCC(F)(F)CC1 1696756247 FNXDDJAZNIEADV-LJQANCHMSA-N 429.515 4.505 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1OCCCC 1705497028 SLMPRIBYBNQKQG-GOSISDBHSA-N 437.975 4.602 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1705656032 PARZNOKCHNVCNC-XLIONFOSSA-N 438.000 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@@H](F)C1 1705669377 KPZDYSVTPNECEY-FQELHTAISA-N 431.353 4.838 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC2(O)CCC2)CC1 1705771197 KWXFEJIRCLWFAR-UHFFFAOYSA-N 445.007 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1705788397 ZGZDQXSEGNNHIU-UHFFFAOYSA-N 436.560 4.631 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1CC(=O)N(C)C1CCCCC1 1705858153 QISNMQXYYIXYMI-FQEVSTJZSA-N 448.615 4.647 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1OCC(F)(F)F 1706407891 GLBIGUFNJGGAMP-NRFANRHFSA-N 435.494 4.596 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCc2nc(C(C)(C)C)cs2)n1 1707592971 HQWCGHXEVLHOSM-UHFFFAOYSA-N 449.628 4.775 30 10 IJEE COc1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCC(C)(F)F)ccc1OC(C)C 1711648140 COAQKLKYUDHIQK-UHFFFAOYSA-N 447.530 4.916 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)cc1C(F)(F)F 1722284473 YGBMIMRDTTXTLH-ZDUSSCGKSA-N 449.864 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCCc1nc2c(s1)CCCC2 1722302322 RIPASBVCDSBBMI-FQEVSTJZSA-N 447.652 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C1CCCCC1)N(C)C 1722391809 VBISQNTYGVTTCN-UIOOFZCWSA-N 445.655 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1722393355 AJSUUXXWUMVXEU-MXVIHJGJSA-N 429.955 4.884 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](c1cccnc1)C(C)C 1722406402 OOFHMWQCZIZJIG-QFIPXVFZSA-N 439.567 4.630 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@H]1CC 1722422795 QQLHDWALIIGMAN-XZOQPEGZSA-N 431.559 4.869 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)S[C@H](C)C1 1722455386 KGQDRKZGIUVSJL-ZIAGYGMSSA-N 441.453 4.949 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1722483936 FJJRINKDAUWDDL-UHFFFAOYSA-N 433.394 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1722514919 LBRJHVSTGQKJOT-UHFFFAOYSA-N 438.620 4.991 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCSC1 1722529613 XMUBEQYKWGNSOV-AEFFLSMTSA-N 437.009 4.606 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1722551718 CBASDALIOKQZGR-NFBKMPQASA-N 437.975 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C2CC2)C1 1722584074 AWKWOAJQNWKSNE-MRXNPFEDSA-N 432.410 4.885 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722614448 NTKWKEFBDQLSOG-GOSISDBHSA-N 434.588 4.524 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)cc1)C1CC1 1722645306 HYLQVQFSRGPNKR-UHFFFAOYSA-N 426.362 4.558 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccncc1Cl)C1CC1 1722648588 UHNBSHHVTRMALA-UHFFFAOYSA-N 439.947 4.604 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Br)n1CC1CC1 1722675147 JWBMWQJAFCILJD-UHFFFAOYSA-N 427.346 4.946 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCC(F)(F)CC1 1722680356 IKYXXQYFSDLDHL-UHFFFAOYSA-N 443.542 4.815 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@@H]2C)C1 1722713646 GJDXBBNBRHAJBS-ILZDJORESA-N 445.405 4.925 30 10 IJEE CCC(CC)(Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C 1727146337 AYALWKLYFLLKFN-HSZRJFAPSA-N 444.624 4.759 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCOc1ccccc1C 1740603165 IPFRGTYJGOVDLH-UHFFFAOYSA-N 445.386 4.616 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C1CC(C(C)(C)C)C1 1740682078 JVVNRZBAQXSKRI-UHFFFAOYSA-N 445.405 4.791 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1740780694 IXMFOLCKTLWLFP-QGZVFWFLSA-N 449.393 4.544 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CC)C1 1740796266 AGILEQZLVGPKLB-HXUWFJFHSA-N 426.605 4.984 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1740855728 NYFHYYVBSHYDEC-NRFANRHFSA-N 449.624 4.767 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740869270 IAKBPQMOEUCMLV-MOPGFXCFSA-N 443.592 4.942 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2ccccn2)C1 1740976370 WGDSTJUJIIMYDY-GOSISDBHSA-N 444.366 4.671 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](Cc2ccccc2)C1 1740998791 VCHZUJSLVCKJCW-LJQANCHMSA-N 440.016 4.982 30 10 IJEE CCCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1745302782 HEOQPFVXPMFBOG-XMMPIXPASA-N 434.588 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(C)OCCc2sccc21 1748643379 VHIXDWCUGYIBRE-KHOMTPLRSA-N 434.609 4.828 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1ccsc1 1748656302 PVUOLUKGYKCGCD-CYBMUJFWSA-N 433.350 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(CCOC)CCCCC1 1748661217 CFWUOKWVWVLGFT-FQEVSTJZSA-N 433.600 4.882 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(N(C)C)CCCC1 1748684546 LHRWFVUSZBLURT-OAQYLSRUSA-N 437.632 4.621 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H](C)Cc2cccs2)c1 1748690547 USAHAHITHSDLQK-SFHVURJKSA-N 449.624 4.572 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H]1CCO[C@@H](C)C1 1748918067 VTUCYWJSYQCEBE-ROUUACIJSA-N 445.405 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749069184 VMGBCVNAMNKYGN-LIKDZFNVSA-N 437.607 4.511 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](C)C1 1749112205 DQKRHYXLBSBACN-KBPBESRZSA-N 437.407 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)c2cccs2)CC1 1749119266 PLLPOXGLNIRWOO-LZNRXBQRSA-N 442.629 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](COCC)C1 1749120829 HVWHMCNOVBOPKL-UZKOGDIHSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCOc2cccc(Cl)c2)nnc1C(C)(C)C 1749139725 IPQNEEJVULBLHS-PXNSSMCTSA-N 432.996 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CN(C2CC2)C1=O 1749146963 UIUTTWUOBGKJAZ-JOCHJYFZSA-N 448.398 4.665 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749218633 RCQLGCKASIJGPD-DEOSSOPVSA-N 448.615 4.755 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H](C)N2CCCCC2)CC1 1749351851 AXEOWUPQSLKZJQ-YMPZKCBVSA-N 443.680 4.864 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749397049 ODHQLGKLCPGBLL-LJQANCHMSA-N 442.608 4.713 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1CC(F)(F)C1)C1CC1 1749510894 AZOHUALGIJNIHO-UHFFFAOYSA-N 432.515 4.941 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)cc1 1749683816 HDFOXPVHXUNIBO-CRAIPNDOSA-N 431.462 4.521 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1csc(C)n1 1760100264 SYTDAMNQDNSXAC-OAHLLOKOSA-N 448.621 4.843 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1760131735 YTBLWTKQOLAVBK-SFHVURJKSA-N 425.533 4.551 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1760231726 DVJRVTOFBBPVLQ-UYAOXDASSA-N 442.489 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN(CC)C1CC1 1760332373 ZEHQXRRONIHCFO-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CCCCC1 1760338278 HUJDYHXOOLAQND-UHFFFAOYSA-N 444.627 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(SC)CCC1 1760340267 RDSMPIWLFGPGEE-HDICACEKSA-N 449.665 4.737 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1760341103 ZIXZFOYFOILEHX-MCEYFSPLSA-N 438.616 4.818 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1760355394 IOJBKSUJPIUHPT-UHFFFAOYSA-N 429.927 4.670 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1760359228 JRJVQDGZLLJNRR-XMSQKQJNSA-N 437.613 4.609 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2sc(C)nc2C)CC1 1760392694 ZQRVLPHAXOVIBP-UHFFFAOYSA-N 444.004 4.983 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCc2nc(C)c(C)s2)CC1 1760393726 XQNDQNYRZCEQBZ-UHFFFAOYSA-N 437.613 4.892 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@](C)(O)C(C)C)CC1 1760396405 CQQACLDRDDWYIU-DFBJGRDBSA-N 442.604 4.626 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nc(C)cs2)CC1 1760397535 WOCSDTSIEZIFFX-INIZCTEOSA-N 427.549 4.773 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1760401495 KKDVLIWVLZSFIG-HXUWFJFHSA-N 448.514 4.580 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(c2nc(C)no2)CC1)c1ccccc1 1760420287 MDNAVQSNSWHDKE-QFIPXVFZSA-N 434.588 4.912 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](COCC)C1 1760434841 OLXPXOGSQDIREY-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC2(CCCCC2)C1 1760437253 WPBHYCXTCSTEHD-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1760442495 CBRMNROEGHCRRL-UHFFFAOYSA-N 437.613 4.897 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760443189 PDIQMLORWIJYFU-WIYYLYMNSA-N 435.399 4.886 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760455526 RJODCDYEYKXZLP-QHCPKHFHSA-N 441.583 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)OCCc2sccc21 1760458697 QRRIYGUMRYWVRF-NRFANRHFSA-N 432.952 4.909 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCNc1ncc(Cl)cc1Cl 1760466935 NSOCTAYWMYTPNK-UHFFFAOYSA-N 447.370 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1csc(CC)n1 1760487488 VVASIBSRRHUDSH-QGZVFWFLSA-N 443.642 4.688 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC(F)(F)C1)C(C)C 1760487811 DWPMFRQMIZEORL-OAQYLSRUSA-N 429.559 4.798 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1[C@H]1C[C@H]1C 1760501012 DXCLNQCDRFEZCE-HOJAQTOUSA-N 441.576 4.759 30 10 IJEE C=CCSCCn1c(N(CC)CC2CCN(c3ccccn3)CC2)nnc1C(C)(C)C 1760568817 UHKHFQDJAGQXSQ-UHFFFAOYSA-N 442.677 4.633 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(n1)CCCC2 1761531983 HHDUOUOUWQIWOL-MSOLQXFVSA-N 448.546 4.618 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCC(F)(F)C1 1763655454 MICAAUITUHWETE-JKSUJKDBSA-N 444.530 4.542 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccccc2C)nnc1N1CCC(CC#N)CC1 1764623238 FWOVRNJUBPLCNW-UHFFFAOYSA-N 430.556 4.616 30 10 IJEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1770903787 FHYWYPRNHLMVLP-URXFXBBRSA-N 444.583 4.514 30 10 IJEE Cc1cc(Br)ccc1NC(=O)C(=O)/C=C/c1ccc(Br)cc1F 1860731590 XLLYEGXSMHFDNN-XVNBXDOJSA-N 441.094 4.880 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862420515 MNLGXOQROXYTIM-OAQYLSRUSA-N 443.446 4.590 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(F)c1)c1cccc(O)c1 1862590271 FLVPSTXOQQTEHQ-QHCPKHFHSA-N 431.463 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594594 GTJPFFUYWLGNGD-HSZRJFAPSA-N 449.453 4.882 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C 1862674177 LDQHLROKTBVLCF-QFIPXVFZSA-N 425.500 4.919 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2F)c1 1862702879 OFAZIUNQPFPRLA-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)OCCO2 1862719786 OVLLVDDOSYTVRJ-GYCJOSAFSA-N 443.499 4.988 30 10 IJEE CCOc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)cc1 1870106910 ZEHGYEHYPBMJMO-BJMVGYQFSA-N 442.306 4.555 30 10 IJEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 1870110109 ACDKUJIVCVBZIC-NSHDSACASA-N 434.714 4.900 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2Cl)cn1CCOC 1870345374 UXSWNCJIJGWDSB-UHFFFAOYSA-N 437.367 4.555 30 10 IJEE C=CCOc1cn(C[C@H]2CCCO2)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870810534 HMMNAPLJUWVZNT-RUZDIDTESA-N 446.547 4.783 30 10 IJEE CCCCCCCOc1cn(CCCO)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870837692 SSXSKRSIOLLQCR-UHFFFAOYSA-N 441.616 4.792 30 10 IJEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(F)cc1 1870882813 SLDCVIVLUPJOMM-UHFFFAOYSA-N 428.891 4.897 30 10 IJEE C#CCOc1cn(Cc2cccnc2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871005739 VXMSWEJCWOXAAZ-UHFFFAOYSA-N 445.563 4.875 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1OC 1871374272 BBOGLQZBPUBTRS-QRVIBDJDSA-N 448.446 4.916 30 10 IJEE COc1ccccc1CNC(=O)COc1cc(C)c2c(c1)O/C(=C\c1sccc1C)C2=O 1871433936 JQRRKLBIFWPJNE-MTJSOVHGSA-N 449.528 4.685 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872078108 HEIOZSNBAMSIDQ-HSZRJFAPSA-N 428.598 4.788 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872217751 VBPSJYICNRPPMZ-QHCPKHFHSA-N 428.598 4.997 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872357624 HMYOWKULEYWAPX-GOSISDBHSA-N 434.524 4.821 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872516780 ZMGZPMGYRLYITH-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE N#Cc1ccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3ccco3)C2=O)cc1 1873335772 OCNAYYQCOGCICW-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2cccn2C)c1 1874295620 LKANSPMZUOBOJU-BUVRLJJBSA-N 446.536 4.599 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccn2)c1 1874406938 XHTKRVLIXBSZJR-WGOQTCKBSA-N 448.596 4.717 30 10 IJEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874435347 AQHYFBFRXXXXPZ-YDZHTSKRSA-N 439.541 4.963 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1O 1874463289 AZPCBHXCCKBLIG-HCGXMYGOSA-N 446.813 4.675 30 10 IJEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874482842 QHXBGDFONUZOKU-ZMOGYAJESA-N 426.517 4.660 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccccc1OC(C)C 1874524559 UFYNNAKUSQDEQZ-ZVHZXABRSA-N 437.569 4.549 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874528964 KOPOPUXNHNMKFT-FOKLQQMPSA-N 434.924 4.825 30 10 IJEE Fc1ccc(COc2cccc(/C=N/n3c(S)nnc3COc3ccccc3)c2)cc1 1874561216 ISFMXZGUMRYZIJ-AFUMVMLFSA-N 434.496 4.746 30 10 IJEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc(C)cc2)cc(Br)cc1OC 1874579663 AMJPDTKRAMCJDG-MDZDMXLPSA-N 446.341 4.567 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl)NCc1ccccc1 1874621307 RMOXDNDTSJCBPQ-RMKNXTFCSA-N 449.890 4.660 30 10 IJEE N#Cc1cncc(C2=CCN(C(=O)c3ccc(C(F)(F)F)cc3Br)CC2)c1 1890053682 PZCJOVKFPFRXDH-UHFFFAOYSA-N 436.231 4.664 30 10 IJEE N#CC1(c2ccccc2)CCN(S(=O)(=O)c2cccc(Oc3ccc(F)cc3)c2)CC1 1891760009 STRNDJKRVSXBLG-UHFFFAOYSA-N 436.508 4.864 30 10 IJEE Cc1ccc(CN2C[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1921510329 YWDXKQXQWXYFOD-GGAORHGYSA-N 448.460 4.637 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2cccc(Br)c2C#N)C1 1957283955 CREFNQDPRYWHPW-UHFFFAOYSA-N 442.357 4.947 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2ccc(Br)cc2C#N)C1 1957284814 XGDFICCUEUKOSJ-UHFFFAOYSA-N 442.357 4.947 30 10 IJEE N#C[C@H](C(=O)c1cc(Br)ccc1I)c1ccsc1 2035111145 OWIQQPSTZWJXGP-NSHDSACASA-N 432.080 4.605 30 10 IJEE COc1ccc(C(=O)Nc2cccc(C=C3SC(=Nc4ccccc4)NC3=O)c2)cc1 2040447911 ZGKIXKDQMCLWCK-UHFFFAOYSA-N 429.501 4.839 30 10 IJEE O=C(C1=CCOCC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071355192 HYUHMUSOHDJOBD-MHZLTWQESA-N 430.500 4.794 30 10 IJEE COc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1C 2079954011 GKCCBQNHXRMPJB-GOSISDBHSA-N 447.320 4.943 30 10 IJEE C=CCC1([C@@H](O)Cc2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2110516362 SOOQXTNSIBNMGB-AWEZNQCLSA-N 448.760 4.958 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC2(CC1)C[C@H]2CN 2158293784 WDIOPXNGSVKBFM-VUZGARFFSA-N 434.378 4.992 30 10 IJEE C#CC1(Oc2ncc(Br)cc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 2198816392 WUAZHKUJXQKIRC-UHFFFAOYSA-N 449.267 4.645 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@@H](O)C#Cc1ccccc1Br 2232074697 ZKTMISIANOPZEI-IRXDYDNUSA-N 442.419 4.587 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@@H](N)C#Cc1ccccc1Br 2235721502 ISKSXRSJKQWTIQ-ICSRJNTNSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](N)C#Cc3ccccc3Br)CCCC[C@H]12 2235725344 WOOCRJMAIGJNGY-IPJJNNNSSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2235735628 UKLAGVSGTUZFOH-LMCOJAPRSA-N 433.390 4.567 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 2235746015 HGKHWWHCMDOZKX-OXJNMPFZSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Nc1ccc(C#N)c(Br)c1F)C2 2241103345 CBBMCXFIVLCBNJ-MZGVZZPPSA-N 438.341 4.954 30 10 IJEE CC1(C)OB(c2cc(Cl)ccc2C(=O)N(Cc2ccccc2)CC(F)F)OC1(C)C 2247915545 DVOJMCVOERHUIH-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE C=C(CS(=O)(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1)B1OC(C)(C)C(C)(C)O1 2247962932 RXYVCTIRQCCRIZ-SFHVURJKSA-N 447.431 4.829 30 10 IJEE COc1ccc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c(NC(=O)OC(C)(C)C)c1 2269726892 NQIULLMGTFRWDW-UHFFFAOYSA-N 442.321 4.529 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@H](N)C#Cc1cccc(Br)c1 2278738024 QXTCQONVJZYCTM-SJORKVTESA-N 441.435 4.553 30 10 IJEE CN(Cc1ccccc1I)Cc1ccc(Br)cc1C#N 2280339242 BHKNTCVQPVKAKV-UHFFFAOYSA-N 441.110 4.557 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)ccc2C#N)[C@@H](C(F)(F)F)C1 2281042383 RSELLGSDMRDQMO-DZGCQCFKSA-N 448.283 4.745 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296284094 NEBGRABLJPKZBN-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C 2296297846 DEZIDDHMTNLCCJ-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2Cl)C1=C(O)c1cccs1 2296927114 RTJQYORUCBOHPM-SJCJKPOMSA-N 438.332 4.656 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC(=O)NC1CCCCC1 2323176674 YXUSXWGWVQPTOV-UHFFFAOYSA-N 437.536 4.736 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccccc2Cl)cc1Br 2323603552 QWWBURKXPCDUTQ-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2)CC1 2324161801 QBRKZXUEVQBQMP-UHFFFAOYSA-N 438.527 4.887 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OCC(=O)OC 2324637670 DBAAEDNUDFEUDO-UHFFFAOYSA-N 432.900 4.812 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326358174 IFEISEQKZYBYCE-UHFFFAOYSA-N 445.932 4.975 30 10 IJEE COc1cc(Br)cc(C=Nn2cnnc2SCc2cccc(C)c2)c1OC 2326369364 ITLMQNNKRMIDBI-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccn2C)cc1 2328570651 NQGSVXDUYCKPBM-UHFFFAOYSA-N 445.592 4.893 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C=Cc1ccc(Br)cc1)c1ccccc1 2328571230 LYCKTOVHMUNFHQ-JOCHJYFZSA-N 439.353 4.520 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(O)cc1O 2329805444 JJQDOYAVXQIEQS-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE Cc1ccsc1C=Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1 2330454513 OWAHPOGQNNXCRJ-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)CCOC 2330668912 HEPPHUBREYFMCZ-UHFFFAOYSA-N 449.459 4.985 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2330810538 OBNCMTTYURGADC-LJQANCHMSA-N 436.247 4.882 30 10 IJEE CC(C)(C)c1nnc(SCCO)n1N=Cc1ccccc1OCc1ccccc1Cl 2331414390 CCSLVRBTHRPFFM-UHFFFAOYSA-N 444.988 4.775 30 10 IJEE CC[C@H](NC[C@H]1CCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514044 TZPCCOGBZPVFKR-RPBOFIJWSA-N 434.433 4.691 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339547310 OZDBXCIEPJOXQN-SFHVURJKSA-N 443.397 4.562 30 10 IJEE C[C@H]1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339577429 SHBZPGZWHBFQEV-QGUQWCRPSA-N 444.381 4.751 30 10 IJEE C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339597000 NMULOZONYBUAAC-IEBWSBKVSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](Nc1cc(Br)c(C#N)cc1F)[C@@H]2F 2358238542 ZYUVDKSDYCDGHX-JKEMJCCQSA-N 442.304 4.750 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2360193979 CNOVSNQLONGXTP-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CC(C)(C)CN(Cc3ccccc3)[C@H]2C)n1 2362169461 UPOQJXDOMHANOE-REWPJTCUSA-N 449.448 4.790 30 10 IJEE C=CCN(CC(=C)Br)[C@](C)(C(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2373999539 FSOPGRWFWLATEL-FQEVSTJZSA-N 439.350 4.730 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(F)c2)c1 3024148 ZMCFPDYQUKMODQ-UHFFFAOYSA-N 428.460 4.598 30 10 IJEE O=C(NC1CCCCC1)c1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 16524138 WITSSTSTQCNYPZ-FVDSYPCUSA-N 444.579 4.660 30 10 IJEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1Br 21230825 STNAHVDEGKEDSD-IRXDYDNUSA-N 440.337 4.770 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccccc2Cl)Nc2ccccc2C)c1C 32973173 VIYDXAMSBLKTQS-UHFFFAOYSA-N 437.975 4.922 30 10 IJEE C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C 36345869 KXFUWIIKEAKXCX-DEOSSOPVSA-N 447.579 4.503 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1OC 40077153 SVYHLBNLNVLEQW-IBGZPJMESA-N 444.325 4.836 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(OCCC)cc1 40099109 QXZPHHYJNPYHNI-LJQANCHMSA-N 428.554 4.927 30 10 IJEE C=CCOc1cccc(NC(=O)CNc2ccc(C(=O)N(CC)c3ccccc3)cc2)c1 66092106 ONVCGLDALSGNMP-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE COc1cc(/C(C)=N\Cc2ccccc2)c([C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC 101461975 RZWGKAQFJMAOPC-BCDHINTGSA-N 442.515 4.760 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccs2)cc1 103095774 VGOGAANWEATFLC-LYHOESIGSA-N 440.546 4.846 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccncc2)cc1 170016534 JIBVFEYQHAVJPB-QFIPXVFZSA-N 443.459 4.896 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccncc2)cc1Cl 170021775 ZIAZFLRUFZXQOZ-NRFANRHFSA-N 448.862 4.555 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2)cc1 170052514 VLDCDCRBHWQVEL-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C 170130108 OPXUIJADOMWKAJ-DEOSSOPVSA-N 448.563 4.899 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)c(OC)c1 170155335 QLCGHWAYEXKAOF-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccn1 170177851 XDLUBEIDSOOJDS-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccncc2)cc1 170201310 HJDQKRZVHOXEJI-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccncc1 170210548 XUYBPCMTBYWUHY-IBGZPJMESA-N 440.883 4.868 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)c(OC)c1 170258452 JBBKULVDUSKNEC-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2sccc2C)cc1C 170313347 QLXSPXJPNQZSBZ-FQEVSTJZSA-N 443.565 4.767 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(CC(=O)OC(C)C)cc2)c1 170459818 YNGLOFOGHYAKEC-HSZRJFAPSA-N 435.520 4.614 30 10 IJEE COc1ccc(C=Nn2cnnc2S)cc1COc1ccccc1Cc1ccccc1 254404666 VUNSUTQEHBHTDM-UHFFFAOYSA-N 430.533 4.627 30 10 IJEE CCOc1cccc(C=Nc2cccc(-c3nn4c(C(F)(F)F)nnc4s3)c2)c1O 254740344 QGAWBIXOMNWBDM-UHFFFAOYSA-N 433.415 4.727 30 10 IJEE C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 256321093 RQXFIFSIGRFXOD-LMIZKKRYSA-N 446.672 4.899 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 441831971 ZLSKFEWYBIKXLB-HRAATJIYSA-N 444.491 4.585 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 481248537 CTEHORKVBUHCDA-UHFFFAOYSA-N 428.480 4.712 30 10 IJEE COc1cccc(Cn2ccc3ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc32)c1 504591425 IEAIKEUTPHNTLE-AREMUKBSSA-N 447.535 4.898 30 10 IJEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1 505245319 RMJUEMZGKJWKLU-UHFFFAOYSA-N 431.414 4.588 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)cc1 526658329 FAWDNDZYBYVFFE-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 559005480 LJKROMQUPJFBMP-HNAYVOBHSA-N 442.361 4.578 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 571108049 ICLURLFRRIWOMQ-LJQANCHMSA-N 431.378 4.679 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc2cccnc12 586243930 NDWNTLCCQXENFQ-UHFFFAOYSA-N 443.528 4.819 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc(C)c1 586258811 MLGLDBUASRCEMX-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE CCCN[C@@H](CC#CCOC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 699008628 VHXYCZAXANFBKL-KRWDZBQOSA-N 425.367 4.877 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)OCO3)[n+]2ccc(CC)cc2)c1 726572401 CCMOPMCHUYAILH-UHFFFAOYSA-O 429.521 4.570 30 10 IJEE N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727627012 BRBDEHVVRKGNSR-KRWDZBQOSA-N 438.940 4.514 30 10 IJEE O=C1/C(=C\c2cnn3ccccc23)CN(C2CCCCC2)C/C1=C/c1cnn2ccccc12 729644492 VUMPITDABLZJPF-VMTNTFKOSA-N 437.547 4.666 30 10 IJEE C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(N2CCCC2=O)cc1 734320971 OXQYQENRMGOVMS-LJQANCHMSA-N 439.515 4.755 30 10 IJEE CSc1ccc2cc(COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(Cl)nc2c1 780179628 YDHWPCYLGQCCPM-NRFANRHFSA-N 434.945 4.915 30 10 IJEE N#CCOc1ccc(Cl)cc1CS[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786798405 BBPAOAAFCHXUAE-FQEVSTJZSA-N 436.911 4.945 30 10 IJEE C=CCOC(=O)N1CCC(OC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 790843187 QYLNIHQBFWVRSO-UHFFFAOYSA-N 440.443 4.773 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)/C=C\Sc2cc(F)ccc2F)c1C#N 798211700 QBPWNOUBQYYEHP-KTKRTIGZSA-N 428.489 4.989 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cc(C)cc(C)c1 799216204 AAKOFOPLNBTTAI-IBGZPJMESA-N 445.972 4.946 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 800784367 GOYAINWROITQIW-UHFFFAOYSA-N 431.968 4.668 30 10 IJEE CCCCNC(=O)CSc1nc2ccc(N=Cc3ccc([N+](=O)[O-])cc3)cc2s1 1083928745 RIECMVCDPHAALA-UHFFFAOYSA-N 428.539 4.964 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)N(C)[C@H]1CCCc2ccccc21 1125227373 STMRZODEPRXWFA-FQEVSTJZSA-N 447.453 4.963 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 1125784665 ONMXVEZUADKQID-NRFANRHFSA-N 438.959 4.732 30 10 IJEE C[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1nc(-c2ccccc2)cs1 1125971410 FGFUMHLRYNJJNL-CYBMUJFWSA-N 442.338 4.700 30 10 IJEE C[C@H](NC(=O)COc1cccc(Br)c1C#N)c1cccc(Cl)c1Cl 1126316570 CSKNBVXDGWCRRB-JTQLQIEISA-N 428.113 4.884 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccc(C)c(C)c2)CCOCC1)c1ccc(Br)cc1 1129730410 HDWAEIXZUSTMCZ-OAQYLSRUSA-N 426.354 4.605 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 1135296403 STQYMQUYJWWUMQ-FQEVSTJZSA-N 448.485 4.846 30 10 IJEE C=CC1(CC(=O)N2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)CCCCC1 1141808750 RBFIGWYXRYKRFT-IRLDBZIGSA-N 434.621 4.824 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc(C(C)C)[nH]1)c1ccc2c(c1)OCCO2 1144704371 HEPXNGUTZRSRJT-UHFFFAOYSA-N 433.508 4.716 30 10 IJEE C=CCn1c(SCc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164417824 FASPNWIWHHLADF-CYBMUJFWSA-N 427.551 4.969 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1OC 1181622802 ZPXQMFQADZWFDN-IBGZPJMESA-N 447.963 4.918 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1Cl 1188289115 FLYWOJMABVULEN-YJBOKZPZSA-N 428.863 4.845 30 10 IJEE C=CCCOCCNCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1201856814 APGMFGWGYIOLTL-UHFFFAOYSA-N 426.358 4.984 30 10 IJEE CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1(CC)CC 1202433792 AZXVBRBRKCNHMS-OALUTQOASA-N 429.952 4.845 30 10 IJEE COc1ncc(NC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1C#N 1209050231 BQKJEVFPEAUORK-LJQANCHMSA-N 437.297 4.635 30 10 IJEE C=CCOc1cccc(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c1 1214885640 HYLVHWCFMQLFIU-FCHUYYIVSA-N 437.540 4.776 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 1217559159 MQZUCIFPBRLDQL-UHFFFAOYSA-N 444.304 4.660 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1228393185 NWERSVKZKVNFCE-MAZHCROVSA-N 436.375 4.585 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)Oc1cccc(F)c1 1229012217 ICMBENVKNXWKNS-AWEZNQCLSA-N 439.300 4.892 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1)c1ccc(Cl)cc1F 1252479529 OOTOJNGFMRTQHX-FQEVSTJZSA-N 444.938 4.858 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3c(c2)N(CCCC)CC3)CCCN1C(=O)OC(C)(C)C 1266159802 CIYJFTAEWQKBIK-VWLOTQADSA-N 425.573 4.581 30 10 IJEE N#Cc1cc(NC(=O)CCc2ccc(Br)cc2F)ccc1OC(F)(F)F 1270381796 CECCYCJGEFTFHK-UHFFFAOYSA-N 431.183 4.930 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(I)cc1OC 1273938428 KUJRCBUPTGZITH-UHFFFAOYSA-N 425.291 4.830 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)(C)C)CC1 1286317326 OOMDOIQAFFXCKQ-QFIPXVFZSA-N 437.632 4.759 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286334956 PDPOPQHJWNDEQL-AREMUKBSSA-N 438.616 4.919 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(Cc1ccnn1C)C1CC1 1286600754 GYYXBUFUPMCASX-UHFFFAOYSA-N 434.588 4.768 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286690164 DTGTXGPHPQJVDR-UHFFFAOYSA-N 435.616 4.720 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CN(C)C(C)C)CC1 1286698403 XMBJMXCOMUDKJA-UHFFFAOYSA-N 434.632 4.960 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCc1scnc1C 1286746917 HMNSEXSZZXOXCD-UHFFFAOYSA-N 436.560 4.623 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OC1CCCC1 1300291688 FEVQMJSIXUMJJB-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1300751709 OTCSCQABOCSZKZ-VWLOTQADSA-N 449.624 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC[C@H]1CCCCO1 1300817574 QVRJENAIXAFSHK-NTKDMRAZSA-N 440.613 4.530 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCCCCC1 1300856375 CGOHOOINPFXHMM-UHFFFAOYSA-N 428.378 4.960 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1300979525 BVWRYJNYADPRJJ-YTFSRNRJSA-N 438.616 4.554 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C1CCC1 1301000731 XYTOEZRZCDFMDO-OAQYLSRUSA-N 430.980 4.872 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1301091471 FTHXIMCRNVOLDD-LJQANCHMSA-N 435.597 4.538 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1301120513 ULHLQSIZCLFBML-XUZZJYLKSA-N 437.632 4.833 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301177316 XPGIFVVKJSCNFH-HSZRJFAPSA-N 448.970 4.868 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@@H](O)C1 1301365475 QFVKSMRGYOPAOW-UYAOXDASSA-N 440.588 4.813 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CCc1cnc2c(Cl)cnn2c1 1301399755 UHOMZZLMBJZSQD-UHFFFAOYSA-N 449.990 4.575 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301436238 WNNCNFFOPSXEHD-KRWDZBQOSA-N 437.544 4.571 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 1301615795 WPOXDVCIFXZBEQ-UHFFFAOYSA-N 444.620 4.855 30 10 IJEE C=CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCC3 1307266175 LTTWOYWHXFLKKG-UHFFFAOYSA-N 428.579 4.629 30 10 IJEE C=CCn1c(SCC(=C)C(=O)OCC)nc2sc(-c3ccccc3)c(C)c2c1=O 1307282531 JUQFAHABMGJMMN-UHFFFAOYSA-N 426.563 4.831 30 10 IJEE C=CCN(CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1cc(Br)ccc1F 1307450719 YPMWAUCYESMEON-UHFFFAOYSA-N 448.336 4.541 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC([C@H](O)c3cccc(OC)c3)CC2)cc1OC 1308889582 RXEDIRIAAOOCKE-QHCPKHFHSA-N 431.960 4.868 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 1310574391 YTBQWDLMLXUECH-LJQANCHMSA-N 441.572 4.638 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(Br)cc2nc(C)oc12)C(C)C 1310589592 PWCZYNIDILOYLN-GOSISDBHSA-N 435.366 4.719 30 10 IJEE COC(=O)CCSc1cc(Cl)ccc1NC(=O)Nc1ccccc1O[C@H](C)C#N 1311095991 HCWCBDZIPZQSFF-CYBMUJFWSA-N 433.917 4.930 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)C1 1325269102 QJKUSXRKOBWOHD-BBRMVZONSA-N 436.375 4.620 30 10 IJEE C=CCc1ccc(OC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c(OC)c1 1347810426 ZINUFOLDGSMSTO-UHFFFAOYSA-N 442.512 4.745 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(=O)OC)ccn1)c1ccc(C)c(C)c1 1350662937 PDRIAKVPLIIVOJ-UHFFFAOYSA-N 430.504 4.897 30 10 IJEE CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 1351716282 AIHWEROSLPFRLV-OAQYLSRUSA-N 434.883 4.605 30 10 IJEE C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1352479147 ANFJDMBYWDWDDQ-IQMFZBJNSA-N 434.879 4.958 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)CCCN1C(=O)OC(C)(C)C 1355304458 SIOTXNZHRBQLGZ-DEOSSOPVSA-N 439.487 4.745 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 1356233599 GTNDKHKBUOSVRS-UHFFFAOYSA-N 428.454 4.644 30 10 IJEE C=CCOc1cccc(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)c1 1357422186 OOJAURMSEOUDMN-IBGZPJMESA-N 436.430 4.827 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)CC(C)(C)NC(=O)OCc2ccccc2)c1 1358382705 PYWJIKHQFGMLFC-UHFFFAOYSA-N 430.504 4.889 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCCS1 1358879560 UMRGJSDXTXWTQI-FOIQADDNSA-N 433.419 4.760 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1359015431 SPLZGYIWWSNOCB-FQRUVTKNSA-N 439.623 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCC(=O)Nc1cccc(Cl)c1C 1359111406 ZEIAVALYXOZQPM-UHFFFAOYSA-N 438.963 4.733 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1359202258 NVSWKFLYRLTHBQ-UHFFFAOYSA-N 442.007 4.908 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359208336 KDIYUDVIMYMZPK-PZJWPPBQSA-N 438.551 4.870 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccccc1F 1359219364 OSULGMQYHUDREW-INIZCTEOSA-N 427.549 4.572 30 10 IJEE C=CCN(c1nnc(CCOc2ccccc2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1359253069 RJHDVFFBXJSVEM-UHFFFAOYSA-N 443.473 4.517 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1Cc1cccc(C(F)(F)F)n1 1359254593 WVHYTKHVYFELBI-UHFFFAOYSA-N 443.473 4.819 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCSC[C@H]1C)C(C)C 1359265313 CUDBRQGPQQJVDY-DENIHFKCSA-N 443.636 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)N1CCCCCC1 1359267325 CDXCNAWFVGZKOS-UHFFFAOYSA-N 447.627 4.719 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1359276936 WWRAHOUTGYSGEQ-FCHUYYIVSA-N 433.600 4.894 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1Cc1ccccc1 1359344640 FFVHKAZFXPILGS-OAQYLSRUSA-N 439.654 4.765 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@H]2CCCC[C@H]2C)c1 1361017789 CMAGPHKCEZMBHB-XPNTWCBSSA-N 439.604 4.665 30 10 IJEE C=CCC1(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)CCOCC1 1435008175 DYTRPJAFCVPYQI-UHFFFAOYSA-N 429.944 4.787 30 10 IJEE C#C[C@H](NC(=O)CCc1c(C)nn(COCC[Si](C)(C)C)c1C)c1ccc(Cl)cc1 1450840937 GNOYDHJQTGHCOZ-QFIPXVFZSA-N 446.067 4.889 30 10 IJEE C=CCCC[C@@H](NC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12)C(=O)OC 1455838912 XAEVGYZINSBYDM-GOSISDBHSA-N 445.357 4.811 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1459785931 QDAFGWRMPPTXDU-OYRHEFFESA-N 440.609 4.572 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCCc1nc(O)c2ccccc2n1 1461064522 FYEBWQQWGSSESP-HNNXBMFYSA-N 442.441 4.618 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 1463783167 GKNQTCJXFWSGLS-JOCHJYFZSA-N 429.605 4.885 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccccc1OCCC(N)=O)c1ccc(C(F)(F)F)cc1 1465322768 BDEIYKMSJAOWFG-KRWDZBQOSA-N 435.446 4.789 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2ncc(C3CCCCC3)s2)CC1 1466152222 ABELWNIYBJTXHB-UHFFFAOYSA-N 425.558 4.969 30 10 IJEE CCCc1c(NC(=O)NCC2(c3ccc(OC)cc3)CCC2)cnn1-c1cccc(C#N)c1 1466215689 HSGDLLVONGRLIZ-UHFFFAOYSA-N 443.551 4.948 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cc2ccccc2)ccc1O 1466545122 GSOHFYMWTBDJLA-LJQANCHMSA-N 430.932 4.957 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 1467625449 JNURVPPXXUDFHC-NRFANRHFSA-N 443.588 4.809 30 10 IJEE C#C[C@H](NC(=O)C1=Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(Br)cc1 1468452208 XFVAHPKEHODEGY-FUHWJXTLSA-N 436.227 4.647 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)C1 1470488637 XMGPDBOUNRCPGZ-FQEVSTJZSA-N 444.556 4.640 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F 1475721033 SPJYPAYUCODVQT-KRWDZBQOSA-N 443.874 4.940 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)C1 1476106271 ILXQYQPKRLBUSD-IBGZPJMESA-N 433.552 4.647 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1477299704 RIEXWGJGPIUBIZ-NSISKUIASA-N 437.506 4.803 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCN(c3cccc(C(F)(F)F)c3)C[C@H]2CCC)cc1 1478671455 FYURFFLOUPBYHC-JOCHJYFZSA-N 429.486 4.887 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C(CC)CC)no2)C1 1503148428 DHHHQNMAVNJVDC-LJQANCHMSA-N 448.571 4.619 30 10 IJEE COCCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1504738344 FBRNDDXYMMGXCW-KSFYIVLOSA-N 449.958 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC[C@H]1C 1507517912 ROEKGZVNAXAATF-FYQPLNBISA-N 445.007 4.819 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cc(C(CC)CC)no1 1507526036 ACHGKZBRJAWGIU-KRWDZBQOSA-N 430.556 4.835 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)OC1CCCC1 1507555549 BPMKMKIPZGPLFO-UHFFFAOYSA-N 435.341 4.961 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[C@H]21 1507557026 GWHSKQFOQWHKIQ-HNAYVOBHSA-N 429.362 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1Cc1c(C)coc1C 1507764873 WDWRNSDFJZGUTO-JOCHJYFZSA-N 439.357 4.958 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCSC(C)(C)C1 1507779689 FHGVSXSTGFZKFM-UHFFFAOYSA-N 445.789 4.978 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)C)C1 1507807550 PYZYDGGXSTYLKJ-RQTOMXEWSA-N 438.616 4.937 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1507845174 XPWYNGDTCUIVDA-GMAHTHKFSA-N 440.588 4.505 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 1507851151 GOZSBXCKAPGAFG-UHFFFAOYSA-N 449.624 4.650 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1507937991 WBGUHHYTFYIJAE-NJDAHSKKSA-N 426.609 4.628 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1507939447 PQJQUIKWPNKNGA-UHFFFAOYSA-N 437.636 4.607 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)c(F)c1 1507966003 KNLQLNUTWYNDCQ-WIYYLYMNSA-N 448.558 4.704 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1507966219 NGZGINYDYWVTGM-UHFFFAOYSA-N 431.993 4.556 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C 1507995619 AFQRPGFJEWITCZ-FPOVZHCZSA-N 426.605 4.741 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1Cc1nnc(C)s1 1508008181 DAGBQLVHHGPVAC-UHFFFAOYSA-N 436.610 4.970 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1508010266 PCQHFITVAYPQMK-RTBURBONSA-N 429.609 4.760 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 1517878473 KCTDDKXDDFADIU-UHFFFAOYSA-N 440.887 4.597 30 10 IJEE C#CC[C@]1(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CCCN1C(=O)OC(C)(C)C 1518057489 PHZDWSMWTCLMSL-JOCHJYFZSA-N 437.367 4.671 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)C(F)(F)F)cc1 1521343606 GAKYKOTZEQVAFO-NRFANRHFSA-N 444.409 4.546 30 10 IJEE C=CCN(C(=O)/C=C\c1ccccc1OC(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1522958343 DFVCVIZKZGKKBG-KYFVDPIZSA-N 447.453 4.787 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c(C(=O)OCC)c1C 1525887298 FLOCHKXXOBMACN-QWHCGFSZSA-N 449.475 4.596 30 10 IJEE Cc1cc(CN(C)C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F 1527721563 GKTFUUJNZZAUJJ-NRFANRHFSA-N 445.485 4.744 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 1527806990 IMMJGYCFVOTEAJ-GOEBONIOSA-N 438.259 4.993 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1OC 1530155078 KAZRYJUOTYVVCF-MUTRTRFCSA-N 431.536 4.992 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2SC(C)C)ccc1F 1530600808 YTHCGJDAOHLCDC-UHFFFAOYSA-N 442.965 4.696 30 10 IJEE C=C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)c1ccccc1 1532387953 QXGGWERIOCCFPF-YLJYHZDGSA-N 446.316 4.911 30 10 IJEE CCc1ccc(N2C[C@H](C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2=O)cc1 1538704869 BTIIRHBNLLSUTN-HXUWFJFHSA-N 429.545 4.518 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1nc(C)cc1C 1538987918 XROLLGDVRKLNOG-HNNXBMFYSA-N 431.371 4.613 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2(CCC)CCC2)c1 1539043046 MUXZWLJOZNUUGX-UHFFFAOYSA-N 435.616 4.893 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1539085924 URAFIBGEMNPOEQ-NJDAHSKKSA-N 430.637 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)CCC 1539622365 WRTGYUGLKONJRJ-YOEHRIQHSA-N 439.423 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCN(C)CC(F)(F)F 1539652573 YTQBXOINGNLASL-UHFFFAOYSA-N 429.918 4.885 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCCCC2=O)CC1 1539875008 NDKXSSFZQVHTJB-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CSCCS1 1540057966 OCUWFCMYNJSSET-IBGZPJMESA-N 442.610 4.588 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCN1CCCC)C1CC1 1540102085 SAYIUDRUUFKOFR-HXUWFJFHSA-N 429.012 4.803 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCC=CO2)C1 1540884387 OMQHJAXCPSZZCS-JRGCBEDISA-N 444.963 4.546 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 1541090479 QTHFGMUMENJFOH-UHFFFAOYSA-N 436.533 4.542 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1541404692 FETKWFLOVPOKLA-OFNKIYASSA-N 442.007 4.713 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](C)c3c(Cl)cccc3Cl)n[nH]2)c1C 1544892768 OHVFEPHYMXEIRH-LBPRGKRZSA-N 432.355 4.916 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC)C2)c(C)n1 1547036405 HKEZTFHKHNKTBM-HXUWFJFHSA-N 431.588 4.797 30 10 IJEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1554176401 HQEBZIOOMRBHGY-UHFFFAOYSA-N 434.956 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3ccc(C#N)cc3F)n2)CC1 1556855977 BYBQPIJGQBCEHK-UHFFFAOYSA-N 430.505 4.521 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3)C(=O)OC 1559325418 IYMLRTPFRMZRCI-SFHVURJKSA-N 440.590 4.844 30 10 IJEE CC(=O)c1ccc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 1561417156 NTKPKVDHBLIIFL-HNNXBMFYSA-N 443.340 4.629 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1563429090 HCHVHGKLAQCDGG-XMSQKQJNSA-N 442.028 4.946 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 1586882031 NEXQZZTVUOUOMB-UHFFFAOYSA-N 434.970 4.577 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 1587234877 YMASPPVWSMJFFJ-DNVCBOLYSA-N 428.374 4.988 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCSC(F)(F)F 1589164640 WYVQTQBHPRXMKM-HXUWFJFHSA-N 446.502 4.580 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ccc(Br)o1 1589721766 CSDDUBKUGJFWFW-UHFFFAOYSA-N 447.333 4.530 30 10 IJEE C=C(C)Cn1c(N(Cc2ccccc2)Cc2ccco2)nnc1[C@@]1(OC(C)C)CCOC1 1593683882 PXRJTMMTQQATAX-RUZDIDTESA-N 436.556 4.695 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H]1CSC 1594497230 CXRIDHASWTXFNW-FXAWDEMLSA-N 428.602 4.725 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCCCCC1 1594913669 MKIWZLHOGGGNSC-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1595115228 GMUHVCXBIIIADP-JTHBVZDNSA-N 448.615 4.713 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS[C@@H](C)[C@@H]2C)cc1 1595639927 OQVDFJCDOZJHOJ-ROUUACIJSA-N 440.638 4.874 30 10 IJEE C=CCOc1ccccc1Cn1c(C)nnc1N(C)Cc1ccc(Br)s1 1595649247 NMDNDSZEONIBQU-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(F)(F)CC1 1595871313 NEHIWTMBZDSCLR-UHFFFAOYSA-N 431.512 4.755 30 10 IJEE CC(=O)Nc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(CCC#N)CCC(C)C)cc1 1596321572 CZZPTQMYMGYUIT-UHFFFAOYSA-N 434.544 4.619 30 10 IJEE C=CC1(CC(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)CN(C(=O)OC(C)(C)C)C1 1610977056 XFPBNUDUCMWKHF-UHFFFAOYSA-N 426.561 4.623 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC#N)CC1)OC 1613125550 FEOJAJXBMMGKHS-WZONZLPQSA-N 447.587 4.526 30 10 IJEE C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1616285302 USHCUQHIASTGDY-IMVYOHCJSA-N 431.298 4.858 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc2c(OC)ccc(Br)c2s1 1617428538 OGTFMCUZGDFBLB-UHFFFAOYSA-N 449.326 4.893 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 1618132848 KXEMIOFYMGCRHT-LJQANCHMSA-N 444.963 4.861 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)/C=C(/C)c3ccccc3C(F)(F)F)c2C#N)C1 1618706094 QOXIHKYOKQZPOB-XFXZXTDPSA-N 433.455 4.585 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)c1 1621760636 FQZANRAIJSDSGT-UHFFFAOYSA-N 433.154 4.952 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1c(C(=O)OC)sc2ccccc12)c1ccc(F)c(F)c1 1622047065 ICCLMWOZVFWTSR-KRWDZBQOSA-N 437.489 4.562 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)c1ccc(F)c(F)c1 1622047151 KFKCIJIIBYPTAR-MRXNPFEDSA-N 436.705 4.976 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c1 1623086350 FWTFZYWLKJMCNJ-WIYYLYMNSA-N 429.561 4.636 30 10 IJEE C=CCC1(CNC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)CCCC1 1623298847 KYFUKUREMNWMAI-SFHVURJKSA-N 428.577 4.722 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCOC3)CC2)cc1 1623998461 BATXIUWAVUUDBG-GOSISDBHSA-N 437.927 4.948 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1625057687 MPOXBDGMRIEELY-FCHUYYIVSA-N 442.600 4.680 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC[C@H](c4ccc(Cl)cc4)C3)ccc2c1=O 1626505113 IKCIQPHGPSLGEP-MAUKXSAKSA-N 439.968 4.591 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1cc(Br)ccc1Cl)C(C)C 1628517483 UKXUNBZLOXMPAD-LJQANCHMSA-N 442.829 4.943 30 10 IJEE Cc1cc(F)ccc1-n1cc(O)c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)n1 1630579027 AHAQZTZMXNRMTB-CQSZACIVSA-N 446.404 4.599 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]c2ccc(Br)cc12 1634580594 IMWAFKMMEVUCNR-CQSZACIVSA-N 442.741 4.905 30 10 IJEE C#C[C@H](NC(=O)NCCCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1636558081 UIHZUKRMEBUHSG-QFIPXVFZSA-N 427.589 4.868 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 1639518862 IZYIXEZZOAPGAM-IBGZPJMESA-N 426.561 4.545 30 10 IJEE C=CC[C@H](C(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1)c1ccccc1 1642117938 FZMHMWDENVAKGF-VABKMULXSA-N 442.600 4.657 30 10 IJEE C#CCN(Cc1ccc(N2CCCCC2)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1648318516 SBORUAWZDPEPBH-UHFFFAOYSA-N 425.617 4.820 30 10 IJEE C=CCn1c(SCCNC(=O)C2CCCC2)nc2scc(-c3ccccc3)c2c1=O 1656066953 KOGVNMRAASOGIC-UHFFFAOYSA-N 439.606 4.710 30 10 IJEE C=CCn1c(SCCOc2ccc(C(=O)OC)cc2Cl)nnc1-c1ccccc1F 1656074557 QASSFFAAKGYIJD-UHFFFAOYSA-N 447.919 4.881 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCc4ccc(O)cc4C3)c2C#N)C1 1657638630 BPPJRDDZKPVNFQ-SFHVURJKSA-N 437.609 4.863 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc(N(C)C)n(-c2ccccc2)c1Cl 1658083245 YWMQMGSTVKXHGP-UHFFFAOYSA-N 426.996 4.947 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc(C(F)F)c1 1661874933 BPWLUINCPCKZNO-UHFFFAOYSA-N 434.277 4.903 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](CCCc2ccccc2)C1 1662950440 BDZQQSKZGNLQRR-GOSISDBHSA-N 447.398 4.744 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)cc(OC)c1OC 1667711179 KHIUISTUEXIBTP-FQEVSTJZSA-N 430.495 4.627 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1)c1ccc(Cl)cc1 1670212195 BKVYMZOYUAQROI-FQEVSTJZSA-N 430.957 4.861 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC 1670327417 LWUUJYBOXBMFOH-DEOSSOPVSA-N 434.467 4.766 30 10 IJEE C#C[C@H](CCC)NC(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1676571199 DQIKNTGLWGTKQU-CTNGQTDRSA-N 433.552 4.808 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)[C@@H]1CCCc2ccccc21 1676812444 INNGURVDAZBBHW-PKTZIBPZSA-N 432.955 4.885 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccccc1 1679189358 DDGCOZXYKJCWKP-LEWJYISDSA-N 426.358 4.800 30 10 IJEE Cc1ccccc1C(NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1C 1681196110 CZRQYSRUNPACGH-UHFFFAOYSA-N 442.538 4.935 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 1681755566 BDFKEOMEKJEFRK-VBKZILBWSA-N 440.341 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 1682156876 RVQRQNGVHLVGSJ-ZNZIZOMTSA-N 439.644 4.834 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(Cl)cc1F 1682367709 QFZWBOTYHHAQDY-OXQOHEQNSA-N 443.954 4.908 30 10 IJEE C#C[C@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)c1ccc(Cl)cc1F 1682368324 YXDFQHJOAZAIPI-KRWDZBQOSA-N 439.687 4.823 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 1684022554 NQQUUYZOIJLVOV-GOSISDBHSA-N 426.388 4.587 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)C1 1684064886 CPQNNAPLJXTREK-UGKGYDQZSA-N 427.589 4.821 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C 1684612056 LLLXVTBOOPONCX-GOSISDBHSA-N 436.915 4.900 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCSc1nccs1 1689865687 ZXCMDSFLTPBFKY-QGZVFWFLSA-N 443.667 4.976 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1689879857 JJXBHXSRNOCUQX-LADGPHEKSA-N 444.627 4.711 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)c1nc(C)cs1 1690073877 JVOZWDFYXQCOEX-INIZCTEOSA-N 432.553 4.628 30 10 IJEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccsc2)CC1 1690165761 JIRWLINCLGRYQQ-UHFFFAOYSA-N 433.606 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1690239559 YFWCIFJMYWKYGC-QRFRQXIXSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](COCC)C1 1690240985 NBMDZBQAXHFMGL-WWMYMODYSA-N 448.970 4.582 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](COC)OC)CC1 1690366137 RIESDVNDILRESF-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)CCC(C)C)CC1 1690372725 WVZYILYLCAYZOX-VWLOTQADSA-N 435.572 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccccc2C)CC1 1690426659 WENVTVCITSSMTL-UHFFFAOYSA-N 430.600 4.573 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1 1690432955 PKAYPMXYBJMYRN-QGZVFWFLSA-N 445.405 4.710 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C=C)CC1 1690483097 IMOCGVMFNDPTSE-UHFFFAOYSA-N 429.609 4.761 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1690500223 OQHKRMUSMCRMJG-IAGOWNOFSA-N 449.368 4.532 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@@H]1C(C)C)C1CC1 1690538147 BLEXNLGFYRDWHI-YLJYHZDGSA-N 445.405 4.924 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1Cc1ccsc1 1690556434 WZZJPZBNWLZPHO-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nc(C)cs1 1690565305 GOAROIFUTKBEGI-GHTZIAJQSA-N 437.613 4.933 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690633045 FHOLWTUFOWLILB-KRWDZBQOSA-N 438.450 4.766 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCOC(C)(C)[C@H]2C)cc1 1690680978 BTWVANOLQWZZHP-GOSISDBHSA-N 438.597 4.547 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1705526270 HUJRQIYMKBLMNN-OAQYLSRUSA-N 436.581 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC[C@@H]1CCCCO1 1705669965 CKMYAXHHOUDIOT-SIKLNZKXSA-N 443.389 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC(C)(C)c1ccc(OC)cc1 1705672321 TVIRDIRHRJIAIT-AREMUKBSSA-N 429.568 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(Cc1cccc(F)c1)C(C)C 1705707886 UFQNJZMLDCIKJP-FCEUIQTBSA-N 428.552 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)CC(C)(C)C1 1705708599 DZPCCKOIJLIBPV-YYDVJCTNSA-N 442.579 4.850 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccccc2)CC1 1705767978 JYPIZCQMIJUROZ-UHFFFAOYSA-N 437.588 4.597 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1705778715 IAADRAKVLHGUCA-FQEVSTJZSA-N 425.577 4.651 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 1705796765 JXCIILYHLDBFDJ-RBBKRZOGSA-N 437.632 4.579 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cncn2)C1 1705801196 WZCIPOXIAVORRO-KRWDZBQOSA-N 429.931 4.527 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](CC(C)C)N(C)C 1705837428 AUDLBRCKPCKHDL-SFHVURJKSA-N 434.426 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1705872798 LHWXGQWWNOBOKZ-HXUWFJFHSA-N 443.567 4.812 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCc2ccc(Cl)nc2C1 1705947273 GROGGMNVLUYPIA-UHFFFAOYSA-N 440.016 4.708 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1708595669 CRGWXWMTZRJISP-MBSDFSHPSA-N 427.618 4.887 30 10 IJEE CCCN1CCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1709798332 CVWDVAAJFSBZMQ-FXSPECFOSA-N 434.632 4.824 30 10 IJEE COCCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC(CC#N)CC2)CCCC1 1712333297 FHFNTRHOAIWKEQ-UHFFFAOYSA-N 437.588 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1722287037 LTBPXLVTOKTBRH-ACRUOGEOSA-N 444.627 4.708 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1coc(-c2cccs2)n1 1722403803 FHXMUIUEPLSDFF-UHFFFAOYSA-N 441.919 4.962 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CCCN1C[C@@H](C)C[C@H](C)C1 1722513625 CJLMNCKCXNNZIV-SFTDATJTSA-N 427.612 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)C(=O)OC(C)(C)C 1722513859 LNPROUYTXRCBMR-UHFFFAOYSA-N 448.011 4.792 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCCC2(C)C)CC1 1722562318 UZJLXBCFAQPSSW-JOCHJYFZSA-N 445.405 4.805 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2csc([C@H](C)OC)n2)CC1 1722562424 YULKBETUQPXVOH-HNNXBMFYSA-N 429.977 4.967 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722590817 JHHIWKDKTZOYGW-GUXCAODWSA-N 427.420 4.795 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)c1ccccc1 1722594824 REUQFLBZLBRYNF-MQSCRBSSSA-N 438.616 4.926 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1722596173 DMPWVMNYENDSBN-NNMXDRDESA-N 444.645 4.553 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722602101 POZUJFLPHWYEKY-IXFSTUDKSA-N 430.980 4.728 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1cn2ccccc2n1 1722634470 PFANADMOHUISBW-FQEVSTJZSA-N 430.556 4.548 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnc1C 1722661332 AYGVZAIKHPXBNV-UHFFFAOYSA-N 443.580 4.666 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1N(C)CCCC1(C)C 1722663939 LTEJQZCHLVYILG-RTWAWAEBSA-N 443.661 4.894 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1nc(C)c(C)s1 1722675634 POHHEJBQRVXTNI-UHFFFAOYSA-N 444.608 4.621 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccccc1OC 1722740472 OVTILWPMSUWROP-TZIWHRDSSA-N 428.602 4.789 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1722741979 CUOOOGJTTUZPMY-QFIPXVFZSA-N 435.597 4.533 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1ccc(Cl)s1 1740531775 SROXQUJQDPSNOY-MRXNPFEDSA-N 441.988 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@@H](C)N1CCCCC1 1740534431 HLWKYVVVLAMBFH-XJUOHMSHSA-N 437.632 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740553738 XQJNKMMFXFURCZ-WDSOQIARSA-N 434.506 4.704 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1Cc2ccccc2C1 1740575180 LXUDYJQASYJTJV-UHFFFAOYSA-N 449.599 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740648243 HRPIGOOJRNBQMH-CPJSRVTESA-N 438.019 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)C/C(C)=C/c1ccccc1 1740757273 NVLHGJLYSFIUBA-VCVZTXPMSA-N 431.584 4.805 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(F)F 1740774616 WLKGGDXMUTYBGA-UHFFFAOYSA-N 441.567 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1nc(C(C)(C)C)cs1 1740776322 UIONAOBWERPIQQ-UHFFFAOYSA-N 430.647 4.839 30 10 IJEE C=C(C)COCCn1c(Nc2ccn(C)n2)nnc1-c1ccc(-c2ccc(F)cc2)s1 1740799015 FFUAPDQLINSTGF-UHFFFAOYSA-N 438.532 4.883 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740810141 ZVEFRSPLXFAKAS-UHFFFAOYSA-N 426.908 4.724 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740824472 MEHRIOPJPBEYDK-SFTDATJTSA-N 441.595 4.834 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 1740854085 CTWCYAIMRFQVLX-QPPBQGQZSA-N 435.616 4.648 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H](C)Cc1cccs1 1740919223 YWSJQYMQUHXLAJ-LJQANCHMSA-N 430.581 4.868 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1cc(C)nc(N2CCCC2)c1 1740921276 PGNHRUXSMRZDCP-UHFFFAOYSA-N 434.563 4.524 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCOC1 1740923551 OTJMRGSVMKSXQU-GOSISDBHSA-N 428.989 4.813 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2ccccc2[C@H]1C)C(C)C 1740926612 IIXZRZDGDIAUEB-IEZKXTBUSA-N 449.643 4.952 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCc2sccc2C1 1740945835 YXGKMVLLIJHXTR-UHFFFAOYSA-N 445.386 4.917 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)c1ccccc1 1740947392 XQDISGDKBDJCQZ-CTNGQTDRSA-N 439.604 4.819 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC[C@@H](F)C2)cc1 1741527165 DLZRRWIHJRLWMF-NRYAXDJKSA-N 443.542 4.950 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2nnc(C(C)(C)C)s2)cc1 1744339366 HVLJXTHPFXIMOE-XMMPIXPASA-N 449.628 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCOc1ccc(C)cc1 1748650719 COGURLSFRXNSFF-OAHLLOKOSA-N 445.386 4.614 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1749433540 NDIZOUHZCMMNPT-QHCPKHFHSA-N 440.588 4.986 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccc(F)cc1 1749473310 FAELVKMCGVQFOP-XMMPIXPASA-N 440.588 4.945 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCO1 1749553257 HOLODSFZXNPUIW-IBGZPJMESA-N 426.561 4.831 30 10 IJEE C[C@H]1CCC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)C1 1752089030 BFJBBEVVHPDLCQ-NZQKXSOJSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(OC)CCCCC1 1760102835 SHONUYCNGLVZMJ-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCc1cccc(C)n1 1760166552 HVOXJWJVHJIWPY-UHFFFAOYSA-N 441.535 4.523 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1Br 1760343719 OKNRRVAYMICBNW-UHFFFAOYSA-N 432.753 4.969 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CCCN2CCOCC2)CC1 1760344037 QVBNOHPOUMTRQM-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2csc(C)n2)CC1 1760382532 SGOMKOWVDVMZCF-INIZCTEOSA-N 427.549 4.721 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2csc(C)n2)CC1 1760382533 SGOMKOWVDVMZCF-MRXNPFEDSA-N 427.549 4.721 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(Br)s2)CC1 1760385926 DKWWFDJWPDNRIE-UHFFFAOYSA-N 430.375 4.563 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCOC)CC1 1760399411 LNLWPPBJKXYMHQ-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760411539 OLNNHRARLKYMBD-GOSISDBHSA-N 428.581 4.622 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1760442255 KSSZQXQZDYJBJE-ROUUACIJSA-N 431.378 4.678 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1760561452 ANMFMLNNLKNYMH-FQEVSTJZSA-N 444.988 4.997 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OC(C)C)nc1 1762063894 DNRMSEGLBLZOHK-VWLOTQADSA-N 430.556 4.614 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C(CC)CC)no2)C1 1767703926 GDXRGVIGRGVGQE-OAQYLSRUSA-N 448.571 4.762 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2c(C)noc2C)CCCC1 1770991623 BUUFLIZLPFGSKD-UHFFFAOYSA-N 448.571 4.655 30 10 IJEE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729511 RORYPVRNDIGEBY-UHFFFAOYSA-N 439.368 4.657 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1C(=O)O 1857891059 KWDHTENODXQAMA-UHFFFAOYSA-N 428.529 4.705 30 10 IJEE COCCCN(C(=O)CCc1cccc(OC)c1)[C@@H](C#N)c1cccc(Br)c1 1857958224 HTWPUQZSVQQXTO-NRFANRHFSA-N 445.357 4.520 30 10 IJEE COc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4cccc(C#N)c4)cc3)CC2)c1 1860692701 LDTZUOKHYBVTEQ-UHFFFAOYSA-N 440.499 4.806 30 10 IJEE O=C(/C=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860725854 JTBKZZUEAYXVPP-FMIVXFBMSA-N 449.384 4.702 30 10 IJEE CCCCCCCCNC(=O)C(C)(C)NC(=O)CCc1ccc(Br)cc1 1861105801 JLDQXIITHZZLKH-UHFFFAOYSA-N 425.411 4.753 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(Cl)ccc1Cl 1861765410 PBSUIEGYNXURAB-FXAWDEMLSA-N 443.415 4.826 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862445596 ZLSXIYPUQURLPM-FQEVSTJZSA-N 429.900 4.910 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2Cl)c1 1862490895 GPMRDSYSOSFIDI-IERDGZPVSA-N 425.912 4.714 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2cccc(Cl)c2)c1 1862491621 XPRYBBWWPAPBMD-QFIPXVFZSA-N 440.971 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc(Cl)c1)c1cccc(Br)c1 1862527236 SRGXAAYOLADBPJ-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1CCc1cccs1 1862625734 MSDMMNLVMRMKMD-JOCHJYFZSA-N 447.512 4.606 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862676769 QPRCTINPRXYYPD-YFZFPPMRSA-N 438.455 4.891 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)N(c2ccccc2C#N)C1=O 1863065347 JYOHCBUZSQZOFM-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(F)c(C)c2)C(=O)N(c2cccc(C#N)c2)C1=O 1863095611 WKANLXHOKOBTTF-UHFFFAOYSA-N 441.462 4.719 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1863173285 NGOWOUROZANSIB-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863331933 UWRIPXGBWKUXKQ-UHFFFAOYSA-N 427.504 4.649 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(OC(C)C)cc2)C1=O 1863696823 TUQGLYWYBFWCSA-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE CC[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1866757634 OCODZNFXLVJSPN-DEOSSOPVSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccn3)CC2)nc(-c2ccc(Cl)cc2)n1 1867981611 BKUSQDUPRSEXQO-UHFFFAOYSA-N 446.986 4.697 30 10 IJEE CC(C)(C)CN1CCN(c2cc(Nc3ccccc3C#N)nc(Cc3ccccc3)n2)CC1 1868215874 KLOOUBWAKUCATE-UHFFFAOYSA-N 440.595 4.851 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1 1868957562 ABDLPPCHZLTLQC-REWPJTCUSA-N 426.507 4.582 30 10 IJEE Cc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(C(F)(F)F)c2)cc1 1870141475 SRPZBJVKWIAEES-RMKNXTFCSA-N 431.805 4.772 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCCC)cn1CCCn1ccnc1 1870416773 OBNHHQNYZGOSFH-UHFFFAOYSA-N 426.605 4.658 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871345728 KERYKQTWDFCZJX-CFRMEGHHSA-N 441.483 4.750 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1871767732 GPLWCTDGLPAOPO-HSZRJFAPSA-N 438.524 4.691 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871852252 HRDLFJTXHLPFJP-NRFANRHFSA-N 432.561 4.591 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872088572 WJSFQRDQGZZJDC-HJPURHCSSA-N 446.588 4.981 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872205319 SNUYEWDVUPUZTI-XMMPIXPASA-N 440.609 4.995 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872296825 WBCXNMOATIRVIR-HXUWFJFHSA-N 438.952 4.628 30 10 IJEE N#Cc1nc(-c2ccccc2)oc1N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1873471313 ZBPVNZJRGZCGJB-JVWAILMASA-N 437.459 4.677 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccccc1C(=O)O 1874259289 SFCZIYNIXXOOAC-BUVRLJJBSA-N 436.537 4.668 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874270031 AZJHXGKSTLEMTM-PCLIKHOPSA-N 428.517 4.881 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1cccc(OC)c1OC 1874371743 OIULYARWIMPAOH-LPYMAVHISA-N 428.583 4.692 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccncc1 1874394093 YIHRVIRJZRPKEA-STPJHCLOSA-N 444.520 4.908 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(F)c2)cc1 1874437598 JTDMYRZQKQUVSA-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE COc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@@H]1CCCO1 1874450393 ANBMFEFTBNYQFA-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE Oc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 1874463556 PFICBQMDUXWSDS-LIMNOBDPSA-N 430.814 4.970 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(CCOC)nnc2SCc2ccc(C)cc2)cc1 1874469584 MSMBPKHUBOXOOM-KOEQRZSOSA-N 437.613 4.796 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(F)c2)c1 1874486152 DLCRKIQBVHMKJQ-DHRITJCHSA-N 439.560 4.846 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874491290 JOLPBNAIZHSASQ-ZMOGYAJESA-N 430.618 4.948 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccco3)c2)c1 1874599667 YHWWIKVPSGLSKP-ZRDIBKRKSA-N 449.503 4.668 30 10 IJEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 1874607716 BNPIZROBKVSOTB-FPYGCLRLSA-N 439.689 4.559 30 10 IJEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2Cl)CC1 1890703165 MIZZAWYRGUJELK-UHFFFAOYSA-N 430.122 4.529 30 10 IJEE C#C[C@@H]1CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1965442876 MFRAGMJYHWVGIN-XMERXJNXSA-N 444.575 4.858 30 10 IJEE CCC#CC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2005881195 YQWFMTMZXPTBCL-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCC2)C1 2038675370 XTJUVGUBLQWORJ-XCZPVHLTSA-N 434.624 4.687 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Cl)cc(Br)c2)NC)C1 2077084135 DPEJETATRWTWOO-INIZCTEOSA-N 429.786 4.847 30 10 IJEE CCOc1ccc([C@@H](CC)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2080107327 MPRUSMHLAYSIKP-CYBMUJFWSA-N 449.214 4.776 30 10 IJEE Fc1cc(F)cc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)c1 2080862258 OYERCNUVOAHSAI-UHFFFAOYSA-N 442.047 4.928 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 2089284323 SOSCQNWJPYWEPK-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE Cc1nn(C)c(Nc2cc(Br)c(Br)c(Br)c2)c1C#N 2095445075 BODXYUGPOBYLGQ-UHFFFAOYSA-N 448.944 4.631 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CNc2cc(Br)cc(F)c2C#N)CC1 2107449712 KZACDBBZOUFWEU-UHFFFAOYSA-N 426.330 4.955 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2118195677 YHNBFAPDFXPZMF-BLLLJJGKSA-N 426.330 4.589 30 10 IJEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(c2ccc(C#N)c(Br)c2F)C1 2118200352 DOKAVHFNBHHZOJ-OCCSQVGLSA-N 426.330 4.589 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCCC 2145543089 CRPRAZNYJSYENT-RTBURBONSA-N 441.385 4.806 30 10 IJEE C[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)[C@@H]1CCNC(=O)OC(C)(C)C 2174764971 GDAURMZXXIPJOB-CXAGYDPISA-N 440.357 4.980 30 10 IJEE C=CCC1(Oc2cc(Br)nc(C3CC3)n2)CCN(C(=O)OC(C)(C)C)CC1 2184506652 JUUZUYKHPGPWFA-UHFFFAOYSA-N 438.366 4.841 30 10 IJEE C=C(c1ccccc1)[C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2197136465 FSYGTYFGWKAGMT-UXHICEINSA-N 432.358 4.959 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2235749974 PVKDMKHEWVARKL-BHIYHBOVSA-N 435.406 4.814 30 10 IJEE N[C@@H](C#Cc1cccc(Br)c1)CCCCCNC(=O)OCc1ccccc1 2253244738 CNJPFEBKHBZUND-OAQYLSRUSA-N 429.358 4.615 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2255611904 KNOSNMWLLJRWTM-IYBDPMFKSA-N 430.354 4.869 30 10 IJEE C=CC[C@@]1(COc2ncc(Br)c(C)n2)CCCCN1C(=O)OC(C)(C)C 2272233544 DYKLIDUAEUWEHO-IBGZPJMESA-N 426.355 4.662 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CC(=O)C#Cc1ccc(Br)cc1)C(F)(F)F 2278785659 HUWCUFKUQIBDQM-OAHLLOKOSA-N 434.252 4.558 30 10 IJEE CC1(C)OB(c2ccc(O)c(C(=O)Nc3cccc(OCc4ccccc4)c3)c2)OC1(C)C 2282978718 QKLSSHSKOCYGCF-UHFFFAOYSA-N 445.324 4.523 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[C@H]1C 2296226004 AXZDEVZYKYUYOY-WOUAJJJCSA-N 435.406 4.670 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2296270813 BGAIMKOCUUBSFS-UZLBHIALSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)[C@H](N)C#Cc1ccc(Br)cc1 2296296308 MIKPNYFVYVJPOS-CABCVRRESA-N 449.311 4.610 30 10 IJEE CC(C)[C@@H]1C[C@](O)(C#Cc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321362881 WBEAOMQUJHJXML-JTHBVZDNSA-N 442.353 4.599 30 10 IJEE CCCCSc1nnc(CCC)n1N=Cc1cn(CCOC)c2ccc(OC)cc12 2321764135 VNSVQTUGQUUYIS-UHFFFAOYSA-N 429.590 4.615 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2324402042 BUNXZKPQAAZUBD-MRXNPFEDSA-N 443.455 4.746 30 10 IJEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325554645 YULNUMSXBCSWQM-UHFFFAOYSA-N 425.514 4.636 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)cc1 2325699715 WEJVYCKKGOSTNS-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325747700 NVVNVUGWTLTMQE-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OC)cc1OC 2331183536 BMCCMJAKITXDFA-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)c1OC 2331443708 KUDJUWPUCSXTPI-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc(Cl)ccc1O 2331616291 DNGKZBUHPSBULI-UHFFFAOYSA-N 441.315 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339534273 DAJJDIPPNQENHQ-LJQANCHMSA-N 443.397 4.928 30 10 IJEE C[C@@H]1C[C@H](N(C)c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339539390 HALDFGANKZMRSY-OFNKIYASSA-N 433.405 4.825 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2358671090 FDDJNXGULQVELG-POAQFYNOSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@H](O)C#Cc1ccc(Br)cc1 2360194852 SNXFMHKHIXGHFK-IJXRJRJASA-N 434.374 4.730 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2360196578 SZURVFKFELNGHK-RLLQIKCJSA-N 435.406 4.720 30 10 IJEE Cc1ccc(COCc2cc(I)ccc2Br)cc1C#N 2367271412 NYEPXGSMIATIGU-UHFFFAOYSA-N 442.094 4.951 30 10 IJEE COc1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1F 2377290591 KALZBPPUYOWYAK-MRXNPFEDSA-N 436.281 4.998 30 10 IJEE Cc1cc(C)cc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c1 12240820 IBNSKWXNIHKJRU-UHFFFAOYSA-N 425.492 4.543 30 10 IJEE COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(C)c4)nn32)cc1 20134225 IWZCXNVTEXPEPJ-JOCHJYFZSA-N 432.549 4.909 30 10 IJEE C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 22048151 DVFQCOZHIQPAIH-LLVKDONJSA-N 443.985 4.677 30 10 IJEE CCn1c(CCc2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2)nc2ccccc21 33116548 XHJKFTBCBVVYQN-UHFFFAOYSA-N 430.533 4.514 30 10 IJEE Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)S1 34222300 LJGZDRTVFZHIGJ-CCEZHUSRSA-N 448.729 4.625 30 10 IJEE O=C1N/C(=N\N=C\c2ccco2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 35484968 KHTBVPGWRIMIGG-JPCQLYNOSA-N 439.500 4.726 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc(OC)c1OC 35550427 YBHJZLQFRBFGMI-NHDPSOOVSA-N 446.455 4.856 30 10 IJEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccccc4)c3O)oc2c1C 38619845 HDLXVIXDRZSMPQ-UHFFFAOYSA-N 426.472 4.685 30 10 IJEE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/Nc1ccccc1)CCC2 40824133 IWWAOYPYHWOKHQ-ZXVVBBHZSA-N 431.492 4.804 30 10 IJEE CCCCNC(=O)NS(=O)(=O)c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 59466516 FWTSIBGUYXCKGT-WSDLNYQXSA-N 428.341 4.532 30 10 IJEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 64473698 FXJXTIPUWJVULK-UHFFFAOYSA-N 426.854 4.893 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC 65389228 AHZDYSIUGJNASQ-UHFFFAOYSA-N 436.552 4.545 30 10 IJEE N#CCCN1CCN(Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)CC1 100156692 XYZLYCYEEMIINB-UHFFFAOYSA-N 441.575 4.876 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949789 HFIAVXVJQIHIOL-HSZRJFAPSA-N 435.520 4.842 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(O)cc2)c1 169960635 PZVMGXAGBOVQJT-HSZRJFAPSA-N 443.455 4.521 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)cc2)s1 169963919 XFFOOTUQOYZUNN-SFHVURJKSA-N 442.443 4.527 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccncc2)cc1 170019952 UJVNTOBSQPWASH-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1c[nH]c2ccccc12 170077655 WBLPVBDCIGJPMU-RUZDIDTESA-N 437.499 4.660 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2ccco2)cc1 170097003 ZKQOQKOZJKJTCC-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(C)o2)c1 170102545 JDGZMNNWJPPVOH-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE COc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170124785 WUFLOENCUZOVMA-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)c(C)c1 170131896 GELNLTYCWJBDIC-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(C)c1 170145748 BCNPEJJFXTXNFI-LJQANCHMSA-N 434.319 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)c(OC)c1 170155334 QLCGHWAYEXKAOF-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccncc1 170202351 NTBVZRKXMSFYRG-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)cc1C 170225184 PMVYMJPTQMUPPT-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2F)cc1 170247560 BBXSMJDUOGALJA-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170265158 WDMNMUZNBLQTSI-QFIPXVFZSA-N 425.500 4.700 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(O)c(OCC)c2)c1 170463161 LFKXNZXCMCRSEV-OAQYLSRUSA-N 439.508 4.705 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OC(=O)c3ccc(OC)c(OC)c3)c1)C2=O 210089482 GSTAGJIBQSFMEJ-ZMOGYAJESA-N 446.455 4.938 30 10 IJEE CSc1cccc(NC(=S)NN=C2C(=O)N(Cc3ccccc3C)c3ccccc32)c1 254453305 YQJLKJXJVHFTEG-UHFFFAOYSA-N 446.601 4.954 30 10 IJEE C=CCn1cc(Nc2ccc(CC)cc2)n(CC(=O)c2ccc(OC)nc2OC)c1=S 334161326 ADNATUWFCXKVRO-UHFFFAOYSA-N 438.553 4.806 30 10 IJEE O=C(c1ncc(F)cc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 430073979 FBDUGIZQYNOPKR-CQSZACIVSA-N 440.290 4.611 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CC2 474956783 UWWUJYQVRHIYFT-OAQYLSRUSA-N 430.527 4.878 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)c1 498271163 SUTXBHZXIWDYGP-UHFFFAOYSA-N 438.430 4.799 30 10 IJEE Cc1ccc(SC2=C(N3C[C@@H](C)C[C@H](C)C3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526685696 XQVWBOHUZFFKEZ-ROUUACIJSA-N 431.561 4.722 30 10 IJEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(C(=O)OCC)o2)c1 526830036 MPHKNXHXCIVHLR-UCQKPKSFSA-N 442.541 4.574 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)c1 539010996 SECSJTWZGSDCGO-UHFFFAOYSA-N 437.324 4.901 30 10 IJEE N#Cc1ccc(Cc2cnc(NCc3ccc(-n4cncn4)cc3)s2)c(C(F)(F)F)c1 544675498 KHEYIJABPCRXHR-UHFFFAOYSA-N 440.454 4.817 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccsc2)C1 549262667 OUELAUIQDLNYLP-JXFKEZNVSA-N 428.533 4.773 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCO1 550049413 PWUIZHBEZGTVBY-YLJYHZDGSA-N 443.979 4.771 30 10 IJEE CCn1c(Sc2nc(C)cc(C#N)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 574472619 ORBLFCRNFNMDEZ-UHFFFAOYSA-N 437.525 4.714 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(F)c1Br 698379034 RACFZMYKBGNWHP-INIZCTEOSA-N 428.346 4.732 30 10 IJEE C=CCN(C[C@H](Cc1ccc(Br)c(F)c1F)NCC)C(=O)OC(C)(C)C 701318705 OYOGEQAXHIHCAN-AWEZNQCLSA-N 433.337 4.671 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)c1nccs1)[C@@H]1CCOc2ccc(Br)cc21 739048594 DADQLOZMZOXSFX-JKSUJKDBSA-N 434.359 4.525 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccc(F)cc2)n(CC=C)c1=S 745161754 BACVWPUPSOVURQ-UHFFFAOYSA-N 439.516 4.960 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=S 765035888 CTTGFJOUVPORGR-UGKGYDQZSA-N 435.597 4.698 30 10 IJEE CC1(C#N)CCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)CC1 781027749 ONMDICCOORRWRM-UHFFFAOYSA-N 427.614 4.774 30 10 IJEE C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(C#N)cc1F 781420712 CNLVSBHRTWTQTJ-OPAMFIHVSA-N 426.536 4.680 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 807467062 KJGUHKMXAMHZIQ-HHHXNRCGSA-N 438.571 4.981 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1=S 915206438 QTXAYTHARBYLJN-HNNXBMFYSA-N 437.525 4.593 30 10 IJEE Cc1ccc(-n2nc(C)c(C=NNc3ccc(I)cc3)c2C)cc1 1084016822 YIOPUMVIWKHSSQ-UHFFFAOYSA-N 430.293 4.848 30 10 IJEE CC(=NNc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1 1084117496 QWURHHDJQYQSJY-UHFFFAOYSA-N 448.321 4.517 30 10 IJEE C=CCN(C(=O)c1cc(Br)ccc1C)[C@H](Cc1ccccc1)C(=O)OCC 1128003432 OJZPHJNKYNSEIR-HXUWFJFHSA-N 430.342 4.560 30 10 IJEE C#CCOc1ccc(CNC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1 1129127169 UQTSLKCLEYSLNY-UHFFFAOYSA-N 430.451 4.695 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(Br)cc3C#N)C2)CC1 1141809950 IEJQSEUEDXSWRO-UHFFFAOYSA-N 434.378 4.544 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)CC[C@H]3CCCCN3C)c2C#N)C1 1167508318 GEZZBUYUKOAYKR-RBUKOAKNSA-N 444.689 4.906 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CCN(Cc4ccc(C(C)C)cc4)CC3)c2c1 1186601271 AMEVVDFBRYXYMZ-UHFFFAOYSA-N 430.552 4.569 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 1199059371 QSCVSFQEAVEPOU-GOSISDBHSA-N 447.514 4.708 30 10 IJEE C=CCOc1c(Br)cc(CNCCOc2ccc3c(c2)CCC3)cc1OC 1199608742 KDBXOMOIWJIYJU-UHFFFAOYSA-N 432.358 4.680 30 10 IJEE CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1214965084 FIABHMQZQURCDM-UHFFFAOYSA-N 443.507 4.501 30 10 IJEE Cn1cc([C@@H]2N(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2(C)C)cn1 1215091310 AVPZDDMCCDRVSN-QFIPXVFZSA-N 433.487 4.625 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)cc1 1228139203 WHEMSFULSNJQPI-UHFFFAOYSA-N 429.492 4.737 30 10 IJEE C#C[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c1ccc(F)cc1 1230479182 YPJJWDDXWDRJGV-NHCUHLMSSA-N 443.563 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N(CC)CC 1286283370 RLENLWZPUFDIIV-UZLBHIALSA-N 443.954 4.872 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1286326848 GGOPPVKLYLPSQU-UHFFFAOYSA-N 428.024 4.636 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H]1CCSC1 1286530937 GBUIMAMSZQUYRA-OAHLLOKOSA-N 444.402 4.652 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CCSC)c1ccccc1 1286618221 XJUDKFFQRSQEOS-QGZVFWFLSA-N 427.643 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286673559 YMKYUPYALYHSGO-CVEARBPZSA-N 437.009 4.677 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(C(C)C)C1 1286745526 VDKWEUJDFLLLMZ-NFBKMPQASA-N 441.595 4.582 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)N1CCCC1 1286746741 FBDKVNAYTWMUKJ-JOCHJYFZSA-N 448.590 4.855 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CCc1c(C)noc1C 1286763848 WEVAJEIEJSBTFH-UHFFFAOYSA-N 435.503 4.760 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)OC 1286763926 ZEIPJBMNPGEYKO-UHFFFAOYSA-N 431.540 4.746 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC2(C)C)c1 1289461715 HQKVOQKBYKEYAK-MHECFPHRSA-N 425.552 4.777 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1cccs1 1296468934 GMKHYVJXZZMAMP-QGZVFWFLSA-N 439.585 4.803 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1300368319 VAFFVTHJLUHKDS-UHFFFAOYSA-N 448.640 4.674 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1300372403 GKEXVGQFDDEBBG-UHFFFAOYSA-N 442.629 4.776 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](COC)C1 1300383681 FALJXWKOBPLOFO-RTBURBONSA-N 430.980 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC=CCC1 1300606094 DWWJDPDUGLHEQQ-INIZCTEOSA-N 429.362 4.532 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CC1CCC(C(F)(F)F)CC1 1300665897 RTSWLFKKSSNELG-UHFFFAOYSA-N 434.506 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@](C)(C#N)C1 1300897060 NNQJCARZFCICQB-DSBYRVASSA-N 449.599 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(C)o1 1300897121 OGKXFDYEGKLJEY-RDPSFJRHSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1300918702 FYACMNFENCAWJV-OALUTQOASA-N 444.693 4.793 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nccs2)C1 1301018494 DOFANOABUORFGP-MSOLQXFVSA-N 429.977 4.607 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1301056708 HPLNTHTYLQIQNP-GUYCJALGSA-N 439.785 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301143069 CSDMLUXYPRWNGM-OUDXUNEISA-N 438.616 4.883 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1CC1CCN(CC(F)(F)F)CC1)C1CC1 1301330314 KBPMCQZMYDSOQU-UHFFFAOYSA-N 447.549 4.606 30 10 IJEE C[C@]1(Cn2c(Cc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)CCCS1 1303990966 HYSRTJABSKWVJA-JOCHJYFZSA-N 430.021 4.938 30 10 IJEE C#Cc1ccc(NC(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1 1304814613 AYWHQMYGMGPVEZ-UHFFFAOYSA-N 425.554 4.566 30 10 IJEE CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@](C)(C#N)C1)OC 1305699104 FIBJYDHTZRTZOW-XMMPIXPASA-N 439.604 4.809 30 10 IJEE C#CCC1(O)CCN(c2nc(-c3ccc(OC(F)F)cc3)nc3sc(C)c(C)c23)CC1 1307194161 CWXUHPBMGAGBPZ-UHFFFAOYSA-N 443.519 4.931 30 10 IJEE C=CCn1c(S[C@@H](C=C)C(=O)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1307251616 FHNFFTAYAJIIFB-HNNXBMFYSA-N 430.526 4.578 30 10 IJEE C=CCCC[C@@H](NCC(=O)Nc1ccccc1I)c1ccccc1 1308038995 BVAMDCBUOYOZKX-GOSISDBHSA-N 434.321 4.917 30 10 IJEE C=CCOc1ccc(CNS(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)cc1 1309484126 AFVAJRCIUWEDQC-UHFFFAOYSA-N 433.476 4.527 30 10 IJEE Cc1ccccc1CCc1cc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n[nH]1 1310469659 GUPNQCNCYLEVFN-UHFFFAOYSA-N 445.914 4.858 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 1312582808 RTMYWIDSRMQOLK-SFHVURJKSA-N 435.293 4.741 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1312897777 XBEXFNHDWSKTGZ-DHLKQENFSA-N 444.579 4.889 30 10 IJEE COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1-c1ccccc1 1318113621 GIGULPPDCLSZHY-HNNXBMFYSA-N 446.528 4.968 30 10 IJEE C=CCN(C(=O)c1cnn(CC(C)C)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1348496519 BHVCLUUIPCTZNN-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE C=CCN(C(=O)c1ccc(-c2cnn(C)c2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350012491 JYAQNPQXAXXOTB-UHFFFAOYSA-N 445.504 4.952 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)n(-c2ccccc2Br)n1 1351785603 SVYXRLBJLHINNP-UHFFFAOYSA-N 435.325 4.643 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(F)c(Br)cc1F 1356342996 WDLGKMSASMEJNX-AWEZNQCLSA-N 446.292 4.643 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(COc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1356592780 NBCHXSYNBICRSZ-SANMLTNESA-N 434.536 4.997 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)CSc3nc4ccccc4s3)n2)c(Cl)c1 1357457901 CJNUXWACNVLCJZ-UHFFFAOYSA-N 425.926 4.738 30 10 IJEE C=CCC[C@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)c1ccccc1 1357995454 JFIPUXIFINHQQZ-IBGZPJMESA-N 425.330 4.777 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C1[C@H]2CCC[C@H]12 1358933360 QQKIXTVUTPXNOE-PMACEKPBSA-N 426.992 4.900 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC(C)(C)SC 1359017528 IFZMGLXFXNJGEI-UHFFFAOYSA-N 428.602 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1359104033 XDEVMBMZAFLHMT-NMMYMHLASA-N 440.563 4.770 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1359131613 ZMPKUFSYQFPJSE-GOSISDBHSA-N 425.602 4.741 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1359161941 VZPOYXIDBWLWKV-SFHVURJKSA-N 429.565 4.552 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(CC)(CC)OC)CC1 1359174559 HFWPMYUCQFEIQC-UHFFFAOYSA-N 434.588 4.943 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1359194686 ZTKATDGJKVIYAV-GOTSBHOMSA-N 437.632 4.800 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1359211877 RJCLKPDYGHZUFB-HOTGVXAUSA-N 431.378 4.775 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2[C@@H]1CC 1359224232 KVLJYAVAYRHFDE-NRFANRHFSA-N 433.581 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccnc(SC)c1 1359234641 VOBBQYSEOJZWNX-UHFFFAOYSA-N 444.402 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)N(C)C 1359262336 PSZVWNZBNDCRBI-IBGZPJMESA-N 437.569 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC1(SC)CCC1 1359263879 OKXBUBWHQDSJON-UHFFFAOYSA-N 425.627 4.804 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1cccc(C(F)F)c1 1359278077 HPLBOISMHUOUFS-HXUWFJFHSA-N 428.483 4.944 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C 1359342534 ZWNRHBKPZRPAKS-IPMKNSEASA-N 449.665 4.547 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCCCCC2)nc1 1359533482 BLSYERUEZBAUAB-AREMUKBSSA-N 449.647 4.820 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CCc3c(Br)cccc32)CCCN1C(=O)OC(C)(C)C 1359859803 GTQNBVYBPHOGNE-XMSQKQJNSA-N 449.389 4.898 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CCN1CCC[C@H]1C 1359926863 FBHCPSZGQDKJLF-LJQANCHMSA-N 429.012 4.849 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2Cc2occc2C)c1 1361125780 DFGKWDXFLJHWSG-UHFFFAOYSA-N 433.556 4.979 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(Cc2ccc(OC)cc2)c1 1436183496 VLDHSZSEZXCPQL-UHFFFAOYSA-N 431.414 4.776 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2c(F)cccc2F)n1)c1ccc(Br)cc1 1436651981 VRUNKXCIFVSHKX-OAHLLOKOSA-N 433.277 4.955 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@H](Cc1ccccc1)c1cccs1 1463076928 AMUWTPQHOUDART-QGZVFWFLSA-N 447.379 4.645 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 1468106587 VCTIUSZSSAPURJ-NVXWUHKLSA-N 445.357 4.768 30 10 IJEE C=CCC1(C(=O)N2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)CCCCC1 1468729463 WXIQMQSDNMGGCU-NHCUHLMSSA-N 434.621 4.824 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)CC1 1469111449 APUSOZFEUASNGP-NRFANRHFSA-N 432.536 4.889 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1470452349 IXSBRGWTQCPRRU-NRFANRHFSA-N 443.385 4.568 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F)C(=O)OC(C)(C)C 1471948451 BYJPNJGFMYMRSU-OAHLLOKOSA-N 439.261 4.583 30 10 IJEE C#CCN(Cc1cc(OC)c(OC)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1474386128 NFMHLUSHHVRFQR-GOSISDBHSA-N 434.305 4.564 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)C1 1476495046 DZGAWJNRDVVUOV-KRWDZBQOSA-N 446.320 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCCS1 1507521112 KPEHVSWXECAADJ-UKRRQHHQSA-N 437.382 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCn2cc(C)nc21 1507524060 UMHSULWKSQHEJZ-TZIWHRDSSA-N 430.600 4.783 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cc(Cl)ccn1 1507558703 IOSFAOMNMJCZHI-UHFFFAOYSA-N 445.958 4.619 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCCC1(C)C 1507694752 RKIAJAORINXBQX-SANMLTNESA-N 438.616 4.690 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1507746081 KMFWURDVRITGID-SNRMKQJTSA-N 431.005 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cccs1 1507805385 PIOWYXUHBRHQOU-ZHRRBRCNSA-N 444.551 4.826 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCSC(CC)(CC)C1 1507840857 URPIOJPSIPETGZ-UHFFFAOYSA-N 430.618 4.658 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1507849476 YSAAULKHLKLRCX-UHFFFAOYSA-N 444.645 4.865 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2C(F)(F)F)CC1 1507909260 XWPOGJUZJJUKFZ-UHFFFAOYSA-N 444.505 4.609 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1507914196 GUVDCEQPSWQXIE-UHFFFAOYSA-N 436.604 4.938 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1507926806 UXQYIJXOSRQBOZ-MSOLQXFVSA-N 446.979 4.817 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1507961507 AHQJGXQZISXXBO-CYFREDJKSA-N 447.583 4.837 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1507986104 IODNJMGSHXTHSH-FQEVSTJZSA-N 441.576 4.517 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@](C)(O)c1cccs1 1507999730 QIFOIITXPSQBHQ-DEOSSOPVSA-N 435.597 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1ccccc1Cl 1508006273 AACILMHLEHEDLU-UHFFFAOYSA-N 438.988 4.829 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CCCN(C)C(=O)OC(C)(C)C 1508013418 OTNFLZQCVHELSJ-UHFFFAOYSA-N 429.540 4.520 30 10 IJEE CS[C@H](Cn1c(Cc2ccccc2F)nnc1N(CCC#N)CC1CC1)C(C)(C)C 1519867120 BYXKJMGOJRLKMH-HXUWFJFHSA-N 429.609 4.916 30 10 IJEE C#C[C@@H](NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C(C)C 1521050346 LTZPIAJJSBRFFG-GOSISDBHSA-N 445.510 4.970 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(OCC)cc4)cc3)cc2C1=O 1522589662 JVFUAGLKHUVZTM-UHFFFAOYSA-N 442.471 4.912 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(C)c(I)c1)c1ccc(F)c(F)c1 1523651278 HFLQEKIJLPERQX-KRWDZBQOSA-N 427.232 4.925 30 10 IJEE CCc1cc(C(=O)OC)ccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1535350936 FKJYSWKKVLITPV-UHFFFAOYSA-N 430.508 4.682 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1cscc1C(F)(F)F 1539032485 XFDXWNSDXJYBOB-CYBMUJFWSA-N 438.450 4.583 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(Cl)cc2C1 1539097609 SQDFIQXZKYCTBI-UHFFFAOYSA-N 444.764 4.665 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC=C(C)C 1539306310 WPKFGZHMZBCASL-UHFFFAOYSA-N 428.536 4.936 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1sc(C)nc1C 1539377547 KCKHTADSPRVJMC-UHFFFAOYSA-N 437.613 4.870 30 10 IJEE COc1ccc([C@H](NC(=O)c2ccc(C#N)cc2OC)c2ccccc2Cl)c(OC)c1 1539391095 DINGAAJMMHJVFW-HSZRJFAPSA-N 436.895 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC(F)F 1539546372 IXNWZEXZOVHVEB-JOCHJYFZSA-N 443.885 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](c3ccsc3)O[C@H](C)C2)nnc1C(C)(C)C 1539640803 JRJFRULFLMHZDQ-LFGUQSLTSA-N 430.618 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCC[C@@H]1C 1539650720 UTOOJXKNXZGCCW-OWHZGTRUSA-N 426.605 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCn1cc(C)cn1 1539652413 SEJZTRYIYBRCQH-UHFFFAOYSA-N 443.599 4.960 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@](C)(OC)CC1)c1ccccc1 1539767419 UCWROROPJJIDBJ-XMMPIXPASA-N 437.613 4.743 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)c(C)c2)CC1 1539835381 DEBBDWJWVHTQTG-UHFFFAOYSA-N 430.325 4.688 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@H]21 1539916481 LDKRVCAYZOCDGE-VAMGGRTRSA-N 443.636 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539929281 QMSVOIFQTULBNJ-KNQAVFIVSA-N 440.632 4.964 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@H]1C(C)C)C1CC1 1540098357 AGPDMDZNKBXZPS-PXNSSMCTSA-N 445.405 4.924 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCn1ccnc1C 1540154472 XKRZZVBMIHDBQW-GOSISDBHSA-N 436.629 4.905 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC1(C)C 1540194640 WBULDIROTZSEJS-CQSZACIVSA-N 437.357 4.532 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1540470805 FKPQXACOTDTMCQ-JOCHJYFZSA-N 434.337 4.625 30 10 IJEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(CCN3CCCC[C@@H]3C)CC2)cc1 1540877093 KNCYHGBACDPLJA-NRFANRHFSA-N 437.632 4.681 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1554629830 ACLXXMUEOOXMFC-LFAGZIFBSA-N 439.604 4.836 30 10 IJEE C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1556702799 CMETWJNQNMAGJF-ZETCQYMHSA-N 428.201 4.646 30 10 IJEE CCCN(c1cc(C)c(C#N)c2nc3ccccc3n12)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1559098900 GUYXFGPZGAMYCW-GOSISDBHSA-N 433.556 4.893 30 10 IJEE C=CCn1c(SC[C@H](C)COCc2ccccc2)nnc1[C@H]1COc2ccccc2O1 1559333228 KGNBQEVKYRAMAJ-XMSQKQJNSA-N 437.565 4.922 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4ccccc4)c(C(C)=O)s3)n[nH]2)c1C 1567890340 ZDDUJJNIPGHBBU-UHFFFAOYSA-N 446.536 4.654 30 10 IJEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC1 1584573565 BFDAQHABOSFHTP-UNMCSNQZSA-N 446.378 4.806 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1cccnc1)C(C)C 1587594712 XVUXTENUGUWGEY-UTKZUKDTSA-N 437.975 4.900 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1587830838 CMZDDALDNXKWSG-IBGZPJMESA-N 442.350 4.638 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccoc1C 1588984987 NFACEICKRQDWGK-UHFFFAOYSA-N 431.565 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCCS1 1589185618 DRUOMUMMQKQAAS-NTKDMRAZSA-N 440.613 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(F)(F)CC1 1589567231 CADXVEXMGSQQMC-UGKGYDQZSA-N 446.542 4.691 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1593671998 XBLFVHCELMTXDF-UHFFFAOYSA-N 442.995 4.754 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1ncc(CC)s1 1593722223 MHHYFXRPJPHWAI-UHFFFAOYSA-N 448.596 4.741 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@H]1CC 1593770307 YOLZAFADPLYLAE-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1594071089 ZGFFJZOKAIHMNC-AUSIDOKSSA-N 442.604 4.958 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1594552099 HDURZRWDTQJFQZ-JXNNMWDUSA-N 438.616 4.844 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1594693275 WMTWKKWSHKBGMP-CABCVRRESA-N 437.407 4.741 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1ccc(Oc2cccc(F)c2)nc1 1595200333 AMNOIAJEBPJTCK-UHFFFAOYSA-N 444.514 4.837 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC 1595260346 INFWNMZWFZJAHW-LJQANCHMSA-N 443.592 4.631 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC[C@@H](SC)C1 1595366558 FXPYJDVPTYFBLM-CQSZACIVSA-N 425.371 4.755 30 10 IJEE COC(=O)c1ccc(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s1 1598083843 AAIQGWSGFOVQBR-UHFFFAOYSA-N 426.881 4.782 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21 1598316192 MNDYYVJPVITWKR-MJGOQNOKSA-N 426.561 4.834 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3c(s2)CCC3)CC1 1602776833 GOVQGLNNLXMSHE-GOSISDBHSA-N 433.618 4.587 30 10 IJEE C#CCN(CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)C(=O)OC(C)(C)C 1611064150 VBWMJENYWZWMHQ-UHFFFAOYSA-N 433.430 4.576 30 10 IJEE Cc1csc(Cn2c(CC(C)(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)n1 1612372958 FUHHDIFCAVGYNX-UHFFFAOYSA-N 432.597 4.845 30 10 IJEE C=CCn1c(SCc2ccc(OCC)cn2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1613104415 FYZWPDDIAAPCIU-CQSZACIVSA-N 427.595 4.855 30 10 IJEE COC1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCC2)CC1 1619479327 ICNYQKNYIUAKQV-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE C=CCc1cc(CNC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc(OC)c1O 1621004739 HXYXIBRSAHXGLL-XMMPIXPASA-N 428.532 4.616 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CCCC1 1622794926 HDEXGBYPXDJUBN-UHFFFAOYSA-N 427.998 4.629 30 10 IJEE CCOC(=O)C[C@](C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(C)C 1623159538 BEYOQKBCMJFKAU-QHCPKHFHSA-N 427.476 4.979 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(CC)c1C(=O)OCC 1629800504 YWFOQOIVJDVVLW-INIZCTEOSA-N 438.590 4.984 30 10 IJEE CC(C)(C)c1ccc(C(C)(C)CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1633857064 HCHBILRWXWSYAR-UHFFFAOYSA-N 436.575 4.804 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 1633865454 JNARGDYQPJXZAY-CQSZACIVSA-N 434.842 4.526 30 10 IJEE CNc1ccc(C#N)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1634989026 FPOUUYOWIZNAFB-GOSISDBHSA-N 448.445 4.823 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1OC)c1ccc(Br)cc1 1636563336 XCUMFJUZYXNGKV-WOJBJXKFSA-N 427.342 4.549 30 10 IJEE C#CCN(C(=O)NCC[C@H]1CCCC1(F)F)[C@@H]1CCOc2ccc(Br)cc21 1637981995 TVNCRNUYINHKPM-RHSMWYFYSA-N 441.316 4.743 30 10 IJEE CC[C@H](C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)N(C)C(=O)OC(C)(C)C 1638616302 HMVHMRWAIQXYBQ-WMLDXEAASA-N 427.467 4.592 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(Br)cc1 1641517253 FFRHUWTYWXJRKY-OALUTQOASA-N 449.389 4.713 30 10 IJEE C=CCN(CCc1ccccc1)c1ncnc2c1cnn2-c1cccc(Br)c1 1642178897 GELMWODPKPHZOD-UHFFFAOYSA-N 434.341 4.813 30 10 IJEE C=CCOc1ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)cc1OC 1642497823 IQEIWYJGZVIEKJ-UHFFFAOYSA-N 431.536 4.670 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1643151193 WAMOKYXXARGNMI-BDTNDASRSA-N 436.379 4.784 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)OC 1644819402 INILPHAHGHGTBT-NRFANRHFSA-N 437.927 4.820 30 10 IJEE C=C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1)c1ccccc1 1651062313 OGQKXWZMIRKERP-XZOQPEGZSA-N 436.552 4.785 30 10 IJEE N#Cc1cc(S(=O)(=O)NCC2(c3ccccc3)CCCCC2)ccc1Br 1653486699 IAOHHWMKHKOABM-UHFFFAOYSA-N 433.371 4.501 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)c1ccc(F)c(F)c1 1655031091 IDLLBJMRCPOSPW-INIZCTEOSA-N 438.240 4.601 30 10 IJEE C=CCn1c(SCCc2cnn(CC)c2)nc2scc(-c3cccs3)c2c1=O 1656010505 MJOJJTDDFUBFJK-UHFFFAOYSA-N 428.608 4.924 30 10 IJEE N#CCCn1cc(CNCc2cc(Br)ccc2Cl)c(-c2ccncc2)n1 1656981515 HTKLRPHEWMZSSS-UHFFFAOYSA-N 430.737 4.564 30 10 IJEE C#C[C@H]1CC[C@H](NCc2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 1658534554 YUCNDFGASUVMFM-LSNLESRRSA-N 429.564 4.897 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 1663252722 DXBGYLFUYKNSSL-INIZCTEOSA-N 443.725 4.639 30 10 IJEE C=C(C)CNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1 1665496042 WUSZTEKKPDYKJO-UHFFFAOYSA-N 443.569 4.660 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 1666383596 HQAFFRDOENAODS-FXAWDEMLSA-N 426.586 4.903 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)Cc2ccccc2)cc1C(F)(F)F 1666740332 AJETXGNKCOPLEO-UHFFFAOYSA-N 444.478 4.709 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 1668217438 CFXAWQDBPCYLPO-XXBNENTESA-N 449.942 4.995 30 10 IJEE C#CCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCCc2ccccc21 1668221683 HSFVIYFJMQENHZ-OAQYLSRUSA-N 429.911 4.942 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccncc1 1669191466 HDNKPUSJRLKXIT-RDPSFJRHSA-N 428.577 4.664 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccc(Cl)cc1F 1670880239 OGAFJHGCSPWQRZ-AWEZNQCLSA-N 440.656 4.954 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2nc3c(Br)cc(OC(F)(F)F)cc3s2)C1 1675658410 YFEOKZHMTVHDMS-SECBINFHSA-N 448.264 4.835 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2scc(C)c2C#N)c2ccc(OC)cc2OC)cc1 1677351236 CZFBRJIDHVBZFX-NRFANRHFSA-N 437.521 4.865 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C 1677622526 PZDDKCFDQKBEGJ-TZIWHRDSSA-N 445.604 4.866 30 10 IJEE COCC1(CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCOCC1 1678484187 HKOPXDUITSUTBD-UHFFFAOYSA-N 445.972 4.928 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 1680032907 GXMGHLOXVJDUES-HNNXBMFYSA-N 435.337 4.926 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 1680127101 NZOXZBCFKKMCGU-QMMLZNLJSA-N 447.348 4.958 30 10 IJEE C#CC[C@@H](NC(=O)N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccccc1 1680515884 VFAORCDYTJLEAX-ILBGXUMGSA-N 432.495 4.996 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1681951600 OSUUXLWTDRZXJS-FCHUYYIVSA-N 447.501 4.736 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 1682990763 QGPFTBHTUVOTOU-QGZVFWFLSA-N 447.377 4.872 30 10 IJEE CN(C)C[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(C(F)(F)F)c1 1683258799 GYSYSPNXIYQFAT-LEWJYISDSA-N 430.474 4.557 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1685648938 YEMDIKRCSCFBAB-UODIDJSMSA-N 428.580 4.557 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@H](O)C1 1689828303 NEOPHMOWBVJGPB-IWFBPKFRSA-N 445.007 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cscc1C(F)(F)F 1689858627 NVNZHTLNFWWSIT-CQSZACIVSA-N 443.498 4.937 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@@H](C)C1 1689917852 IKDKELPXPOHZSV-ZDUSSCGKSA-N 439.810 4.716 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)CCC 1690157295 CSMGJTUZQUPGPJ-MRXNPFEDSA-N 435.435 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC[C@H](OCC)C1CCCC1 1690209064 IWLQMGBKOBEVNO-XUZZJYLKSA-N 441.645 4.611 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1690228053 MIUJGHMLSQJFDY-NVXWUHKLSA-N 437.407 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)OC1CCCC1 1690251160 PVOFDVPLOBNEHA-YKSBVNFPSA-N 440.588 4.766 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1 1690251660 XONXHPDRSOYPOM-XMSQKQJNSA-N 429.996 4.677 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(C)C)C1 1690253056 MCXIXFPKCXZUTN-SKPFHBQLSA-N 442.579 4.850 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cc(Cl)ccn1 1690303261 WLJJAGUHJKFSLT-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCSCC(C)C)CC1 1690369223 CASPRIVJFJGCCX-UHFFFAOYSA-N 430.618 4.898 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1690426610 UCVMEDWZHRAHNP-QFIPXVFZSA-N 436.648 4.891 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1690447005 JHOXDORGCQFYPK-RDPSFJRHSA-N 428.577 4.757 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1690540798 BQVAHFYGEOQNPM-PXNSSMCTSA-N 429.996 4.990 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(CC(C)C)C1 1690567914 UMOSMPYHSKNWKG-DNQXCXABSA-N 437.632 4.690 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnn2ccccc12 1690613612 OCSWEXUPONZRCI-UHFFFAOYSA-N 444.583 4.577 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCn1nc(C)cc1C 1705502588 HJLHZCMVYMQQTJ-HXUWFJFHSA-N 448.615 4.516 30 10 IJEE C#CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cccc(Br)c1 1705539669 YBOODYYTXMKKCP-UHFFFAOYSA-N 439.361 4.861 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1705766836 QEKVAJABWZJKBT-UHFFFAOYSA-N 431.462 4.557 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1705779823 YVZNAQGOZXABCD-JOCHJYFZSA-N 438.645 4.831 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1705784481 XJOKDFQIZKKLMR-AREMUKBSSA-N 438.616 4.633 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1705804013 MPZQVKKUYNAYMO-UHFFFAOYSA-N 431.584 4.518 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705808685 UZTSMKVHFPFDTQ-JOCHJYFZSA-N 437.632 4.551 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC=CCO1 1705871071 WXPOEWLEMPPPTG-INIZCTEOSA-N 449.780 4.885 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)c1ccc(F)cc1 1705876997 QRYWSOAYCOCHIM-BHIFYINESA-N 442.579 4.902 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC(OC(C)(C)C)CC2)cc1 1705911387 GSEBDWCXOQUNST-UHFFFAOYSA-N 426.605 4.874 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](OC)C(C)(C)C)C1 1705921524 UGKXFSRDVMDOGY-VQIMIIECSA-N 436.959 4.580 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1CC1CC(F)(F)C1 1706743200 FIVYFSZEOXVLPE-SNVBAGLBSA-N 430.322 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCSC1(C)C 1722287963 ULPKVGNTTSCLEC-LSDHHAIUSA-N 433.419 4.697 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](CN(CC)CC)C1 1722325766 OFULYYUDDCUQCC-VQTJNVASSA-N 439.673 4.713 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C(C)C)C1 1722326280 FGTTXCQVXRQKNY-HXUWFJFHSA-N 435.597 4.652 30 10 IJEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(C)cc1 1722480401 QHUTZDVQOTWACC-HKUYNNGSSA-N 449.393 4.561 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1ccc(C)o1 1722487245 NIBKJBPUXIRPGT-UHFFFAOYSA-N 445.361 4.518 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(N(CC)CC)CC1 1722521772 VTFVZKWDKXSXTI-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)c2cccs2)CC1 1722568655 VHJFDECSNIPDCW-DEOSSOPVSA-N 438.597 4.600 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722573488 ZPTCPJJAPJJNJP-GGAORHGYSA-N 449.599 4.531 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1722584351 YPDJWMKXDCZFGZ-QHCPKHFHSA-N 439.623 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1722586774 ACPQSIDTZFFXCZ-UHFFFAOYSA-N 441.583 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1722589464 JQUXHRSDJSBBRE-NRFANRHFSA-N 425.621 4.607 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2O)C1 1722621735 ASBYGLHYKRDSDL-UHFFFAOYSA-N 441.988 4.853 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722643420 NCMJQPHCLWAICG-FGZHOGPDSA-N 439.648 4.853 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1cc(C)ccc1OC 1722664008 NQENWBJPHXHYTG-FQEVSTJZSA-N 438.597 4.596 30 10 IJEE C[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)N1CCCCC1 1723793467 APDOAJMNHFKAKX-OFNKIYASSA-N 434.632 4.954 30 10 IJEE CN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(F)(F)F)cs1 1729508877 HCDSCFZIDXAFQI-UHFFFAOYSA-N 432.475 4.577 30 10 IJEE N#CCCN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCC1(F)F 1731187906 CGMFYZZHHAXGEF-SFHVURJKSA-N 447.505 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1csc(CC)n1 1740534282 GQHSZWWMCWKIGC-GJZGRUSLSA-N 429.977 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc2c(n1)CCCC2 1740536134 ZPHNDEZLZIEWBR-ROUUACIJSA-N 449.986 4.852 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1N(C)CCCC1(C)C 1740542301 SLSNWQAKTNXEHJ-KXBFYZLASA-N 434.415 4.830 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCN1CCC(C)CC1 1740605975 ZRMXEDQLXLJDSS-UHFFFAOYSA-N 434.415 4.833 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1ccccc1 1740633272 BYOMWYUTKFELFM-UHFFFAOYSA-N 428.605 4.981 30 10 IJEE C=C(Cn1c(N2CCN(C(=O)CCC3CCCC3)CC2)nnc1C(C)(C)C)c1ccccc1 1740799990 CLVXBIOTUXEHMP-UHFFFAOYSA-N 449.643 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)[C@H](C)C1 1740845552 SUFWNEUKLMIUOW-QGZVFWFLSA-N 441.645 4.545 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](C)C1)c1ccccc1 1740855353 GSFWBJKTBLDCFR-IGABQKFOSA-N 438.616 4.988 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C 1740866895 QYHMYDATZGAXJK-OALUTQOASA-N 447.624 4.710 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](OC)[C@H](OC)C1 1740870566 HWIUAVIPMPELIR-IYBDPMFKSA-N 432.977 4.629 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC2CCCC2)CC1 1740871264 WKAMJBUNFJJRSW-UHFFFAOYSA-N 448.409 4.930 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)c1cccs1 1740903691 HMWLANXKIKSMQR-XMMPIXPASA-N 440.613 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740927568 JTKUPSSTJBUXAJ-LJQANCHMSA-N 441.576 4.672 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1N(C)CCCC1(C)C 1740937494 HPSBGPAVKMJROL-HSZRJFAPSA-N 448.615 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ncc(CC)s1 1748640979 CDKLFOVPPZRBNB-GJZGRUSLSA-N 429.977 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCCN1CCCC 1748684426 JBBFYZKCDZUKDJ-XZOQPEGZSA-N 437.632 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)NC(C)(C)C 1749144023 RFXBFGAPLNALPS-KRWDZBQOSA-N 448.011 4.779 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2noc(CC)n2)CC1 1749331240 GSEONQRUFQNGRR-UHFFFAOYSA-N 434.588 4.833 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS[C@@H](C)[C@H]1C)c1ccccc1 1749384913 JKMVRRCJCVRENI-NPDDRXJXSA-N 426.630 4.862 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](SC)C1 1749456809 AXLRMIZMNXMBEA-HXUWFJFHSA-N 435.037 4.837 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1ncc(CC)s1 1749465811 IWOOCDIDFAGHRP-GOSISDBHSA-N 425.602 4.919 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCS1 1749528141 FALCQNXIMOYUAM-QFIPXVFZSA-N 435.597 4.827 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccsc1 1749542042 YTLBLHVESBXOSP-XMMPIXPASA-N 449.555 4.641 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](C(F)(F)F)C1)C(C)C 1749557965 PNNUTFDLQVPIRV-OALUTQOASA-N 425.543 4.633 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](CC(C)C)C2)cc1 1749686696 XHDGUWLRFKKHHL-QHCPKHFHSA-N 448.615 4.625 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(OC)CCC(C)CC2)C1 1749700335 JRODNHKOHASJIV-BAOIDCNMSA-N 438.616 4.884 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760132769 OVJKYNLDYZJVEX-IBGZPJMESA-N 429.471 4.528 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC(C)(C)CC1 1760286465 LUSPPVCOGUTKHG-UHFFFAOYSA-N 430.643 4.572 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCCSC 1760320173 SQQXOGQTJDGYCI-DENIHFKCSA-N 437.613 4.664 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1760372906 AJEWDVAPPMKUJA-FQEVSTJZSA-N 443.039 4.882 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1760410357 BHYWZGAKDGWHND-NRFANRHFSA-N 432.572 4.523 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760434574 GCZXTJIWZJKWTL-KSSFIOAISA-N 437.357 4.674 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCc2ccc(Br)cc2C1 1760445402 IOENLCFZGFYAIQ-INIZCTEOSA-N 433.394 4.710 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C 1760482187 COTGOOVUWWOZAM-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCC1 1760484010 JWAJNSTVFNYJRS-KRWDZBQOSA-N 442.560 4.726 30 10 IJEE C[C@@H](Cn1c(-c2ccccn2)nnc1N(CCC#N)CC1CC1)Oc1ccc(Cl)cc1 1761398003 FTMOJQOYXHJRTE-KRWDZBQOSA-N 436.947 4.591 30 10 IJEE CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC#N)CC1)OC 1762144035 CXUMQIADHHHVIB-UHFFFAOYSA-N 439.604 4.809 30 10 IJEE CCOC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1765757135 AMFXOYKTHNQCNK-UHFFFAOYSA-N 430.556 4.504 30 10 IJEE CS[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)(C)C 1770439594 DTDWQBQVJKYYJL-LPHOPBHVSA-N 427.618 4.598 30 10 IJEE COC(=O)c1ccccc1C(=O)ON=C1CC(C)(C)Cc2c1c(C)nn2-c1ccccc1 1772728417 LYCMVWIVCXUCCC-UHFFFAOYSA-N 431.492 4.501 30 10 IJEE Cc1cccc(N=C2S/C(=C3\C(=O)Nc4ccc(F)cc43)C(=O)N2C2CCCCC2)n1 1772737452 OIYAYKTXFXMJAC-UPHCULGKSA-N 436.512 4.788 30 10 IJEE CCCOc1ccccc1/C=C1\SC(=Nc2ccc(O)cc2C(=O)O)N(CC)C1=O 1772760957 KAWJOZIEZVOGMU-OCFWRVAFSA-N 426.494 4.503 30 10 IJEE C=CCOc1ccccc1OCC(=O)N(C)c1nc2ccc(Br)cc2s1 1859483022 PCGWSIBIPGXZCS-UHFFFAOYSA-N 433.327 4.665 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862405985 JMSCPKYKBQEQMB-LJQANCHMSA-N 431.410 4.787 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1862443264 KROYWYQLNJULIL-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862479414 GTFSDFZDPXPTPU-JOCHJYFZSA-N 435.520 4.940 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862487742 IGKJPLNENYCRKZ-BFUOFWGJSA-N 428.872 4.933 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862564512 BVKSYGYCMRSSSG-HSZRJFAPSA-N 435.568 4.884 30 10 IJEE COc1ccc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862960964 RIYPCPUTYGNNFH-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE CCCOc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863110664 ZOIBHQDPUTTYMV-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCCOCC)C1=O 1863687163 HLYUAYDTOKOMLX-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2cc(Cl)ccc2N)c(Br)c1 1866122114 BQIWDXFJONSFOS-UHFFFAOYSA-N 429.499 4.571 30 10 IJEE N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866717550 JQUXTZXTIIXAFR-FTJBHMTQSA-N 437.543 4.808 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@@H](C)c1cccc(Cl)c1 1868996024 XXEVOFWNRAAOIS-WZONZLPQSA-N 442.962 4.901 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCOCC1 1870770525 OYWUUIPGXWXWKJ-UHFFFAOYSA-N 426.601 4.928 30 10 IJEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(Br)cc2)cc1=O 1870813540 PKIHSNBIEUVLBJ-UHFFFAOYSA-N 443.316 4.975 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CNc1cccc(F)c1 1871205016 YAAQMUDJLXSRRA-UHFFFAOYSA-N 446.478 4.779 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(CCCn1ccnc1)CO2 1871349831 WKKBYNQNWTYTAY-MTJSOVHGSA-N 435.911 4.703 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871432580 DFCSPNOPWVJZFB-GFHXCNCHSA-N 440.492 4.739 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C#N)ccc3C2=O)c(OC)c1OC 1871437290 QDRBPKFNWAESPZ-FMCGGJTJSA-N 443.455 4.779 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871752505 ARNPSLBUHDXUEB-QFIPXVFZSA-N 428.598 4.760 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871866799 XQXYYSYGYAGMLN-OAQYLSRUSA-N 432.561 4.735 30 10 IJEE COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c1 1872782161 FWHUHQFQHXJLKI-OAHLLOKOSA-N 428.897 4.979 30 10 IJEE CCCCN(CCO)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 1872799350 HXSJHWHACVELQM-NRFANRHFSA-N 433.577 4.748 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1OCc1ccc(Cl)cc1 1873499892 UPQDPQXWLMAAFH-NUGSKGIGSA-N 442.850 4.709 30 10 IJEE CCN(CC)CCCN1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 1873528168 JMEJFOBBJMNYPR-UHFFFAOYSA-N 446.620 4.721 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N3CCCC3)cc1)n2CCC 1873657110 YJHYSAIGOULZNM-UHFFFAOYSA-N 444.583 4.872 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1c[nH]c2ccccc12 1874238550 DIJFTGIXTFQGKZ-MFKUBSTISA-N 435.553 4.752 30 10 IJEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874304005 CAMGSJCYTWVFSO-OEAKJJBVSA-N 428.945 4.787 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccccc1C 1874360378 DCZWBEDPTWNDSA-MFKUBSTISA-N 436.581 4.722 30 10 IJEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(O)cc2O)cc1 1874396174 BOSROMUNMSTSHF-WGOQTCKBSA-N 444.560 4.957 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874408099 GUUVKEMXRIQMQJ-WYMPLXKRSA-N 440.491 4.567 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)NCc2ccccc2)nnc1-c1cccs1 1874425067 QBMNILHFWXLQCS-MFKUBSTISA-N 447.589 4.606 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)ccc1O 1874450356 ZTDOKHHXEAYJFK-KCDOPAPYSA-N 444.944 4.672 30 10 IJEE OCCCSc1nnc(C2CCCC2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874456339 MHEAWBBGKDGICA-KOEQRZSOSA-N 436.581 4.871 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccs2)c1 1874481470 XLSMCGYIQWJHKD-WSDLNYQXSA-N 427.599 4.867 30 10 IJEE CC(C)Oc1cccc(/C=N/n2c(S)nnc2CCCOc2ccccc2Cl)c1 1874568810 RZJCDMBRHCMYFK-OEAKJJBVSA-N 430.961 4.901 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 1875146690 FXTUJWCTYHPMFP-WUXMJOGZSA-N 430.456 4.511 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1F 1875152931 MVLJCDYRDYAXEE-XNWCZRBMSA-N 439.370 4.997 30 10 IJEE O=C(O)C[C@H](C1CCC1)[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 1952815955 WCRRDZIRYUAUBU-IFMALSPDSA-N 425.550 4.715 30 10 IJEE CCOc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)C(=CNc1ccc(C)c(C)c1)C2=O 2040744674 YDZUKXFBZWEOBU-FQEVSTJZSA-N 448.441 4.623 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC[C@H]1CC 2045214670 XJMFHVVUSPRPDC-MVERNJQCSA-N 446.632 4.526 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2079885149 QCZAUHPMWOOGAI-CQSZACIVSA-N 432.240 4.871 30 10 IJEE Cc1cc(C#N)nc(Nc2cc(Br)c(Br)c(Br)c2)n1 2095446210 RUJUJXFMTFGSKK-UHFFFAOYSA-N 446.928 4.688 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CNc2cc(Br)cc(F)c2C#N)CC1 2107439106 UTMALEQTBKZPGU-ZDUSSCGKSA-N 426.330 4.909 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 2124522173 PTZBEFCAPZOWKV-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE Cc1cc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)c(Br)s1 2157317516 FAKQPERUJGMZNY-UHFFFAOYSA-N 440.143 4.510 30 10 IJEE Cc1sc(Br)c(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1C 2157318099 GVGJCAVUYBBQGB-UHFFFAOYSA-N 436.180 4.679 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)cc(F)c2C#N)C2(CCC2)C1 2174820398 YBFYBDAPNKCOKU-AWEZNQCLSA-N 438.341 4.876 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181115199 RKUCWHQGSXLOCT-XJKCOSOUSA-N 436.350 4.541 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(F)(F)F 2229125120 XVRIAYXITQWKGW-HUUCEWRRSA-N 437.300 4.591 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229138215 MXMHIPRCJRMAAT-MSOLQXFVSA-N 441.486 4.907 30 10 IJEE Cc1ccc(I)c(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 2231928312 FZBXKYWWRNRLRK-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CCC[C@@H]1NC(=O)OC(C)(C)C 2235730414 OQRLPDVMZPPQML-DXIQSLLYSA-N 435.406 4.862 30 10 IJEE C#CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243924606 IVNGHQJOSCULNR-UIOOFZCWSA-N 444.575 4.858 30 10 IJEE C=C([C@H](OCC(=O)O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2275805268 BANLAQRGSUQVQI-NSHDSACASA-N 428.218 4.849 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@@H](O)C#Cc1ccccc1Br 2288117091 UQHCPXVQNNEPJZ-IBGZPJMESA-N 436.390 4.979 30 10 IJEE O=C1NC(=Nc2ccccc2)SC1=Cc1cc(Br)c(Br)o1 2294732709 DJFFLFSFLLMJTR-UHFFFAOYSA-N 428.105 4.696 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@@H](O)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296224487 KTXRYQYDWCEUHD-PGRDOPGGSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@H](O)C#Cc2ccc(Br)cc2)C1 2296273596 PPWIGHZKXYHLEB-RBUKOAKNSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(C)C 2296303956 AOQVEXWOJCQKAW-WOIUINJBSA-N 435.406 4.718 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C1CCC(CNC(=O)OC(C)(C)C)CC1 2296307231 RHRJXGLQXPZOIR-AFMYVXGZSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317305655 FORKSMNSSCSNBM-ZWKOTPCHSA-N 429.370 4.584 30 10 IJEE CCN[C@H](C#C[C@H]1CC1(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2317330884 QQQDCMJNZBCBAL-OBTVHEKISA-N 440.628 4.858 30 10 IJEE C[C@@H]1[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317351266 FWWNHJPDPCXARD-VJXXYTJISA-N 429.370 4.536 30 10 IJEE COc1cc(C=Nn2c(S)nnc2Cc2ccccc2)ccc1OCc1ccccc1F 2318414426 BBAVYRHPZQCLJE-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)c(OCC)c1 2318571961 WYGQPQZEJHLBAP-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2321854420 HHEYHMNHZFQZHM-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 2322099065 OFHUEABDMDJYQJ-UHFFFAOYSA-N 431.419 4.523 30 10 IJEE CCc1ccc(OCCCc2nnc(S)n2N=Cc2ccc(N(CC)CC)cc2)cc1 2322217879 JGUBQVMKCBNSOW-UHFFFAOYSA-N 437.613 4.869 30 10 IJEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)NCc1ccco1 2322437091 HVRLZORCSKDMQI-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3C2=O)c1 2323561781 POHLGIYHNJOPOJ-UHFFFAOYSA-N 440.407 4.637 30 10 IJEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2324608490 ZTLQYCAPSRHTDA-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325338927 TUOXNZIVRDHRMW-QGZVFWFLSA-N 438.520 4.866 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Br)cc2F)cc1OC 2325649518 DDVULHRUVUYUOU-UHFFFAOYSA-N 436.277 4.607 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCC)c([N+](=O)[O-])c1 2326733687 PSUNMTCUPUQNBR-UHFFFAOYSA-N 443.504 4.851 30 10 IJEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327737582 UJSWGFKOIJKLLU-UHFFFAOYSA-N 433.493 4.630 30 10 IJEE CCCOc1cccc(C=Nn2c(SCCC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 2327888401 HYBYJDZNSSZWIE-SFHVURJKSA-N 443.617 4.566 30 10 IJEE CCCOc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SC)cc1OCC 2329150636 YSGYTBAORSCBGX-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccn2)cc1 2329312110 BOMFKMKOPNIARX-UHFFFAOYSA-N 433.512 4.704 30 10 IJEE Cc1ccccc1CCc1nnc(SCCO)n1N=Cc1c(Cl)cccc1Cl 2329515382 FYBMELKIXYKIFP-UHFFFAOYSA-N 435.380 4.645 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccn1 2330731968 SLCWJHXHCULEKK-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)Cc2ccccc2)c(OC)c1 2331054876 NCPKWYYUODRQPY-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cccc(Cl)c1 2331150572 WBKNVEIVQWPVSG-UHFFFAOYSA-N 447.914 4.573 30 10 IJEE CCOc1cc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)ccc1O 2331212053 VZPFPXGIAQOLRJ-UHFFFAOYSA-N 434.521 4.859 30 10 IJEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331434622 GIEGUHGQWINEQI-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE CCOc1cc(C=Nn2c(COC)nnc2SCC)ccc1OCc1ccc(C)cc1 2331569408 TVNUUXHXRJHWHJ-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2331664967 RUDJDNBYCRRYLT-INIZCTEOSA-N 441.988 4.736 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(Nc2cc(Br)c(C#N)cc2F)C1 2336508182 KRWAVQWACDUVPR-INIZCTEOSA-N 434.256 4.516 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339593515 HGGQZVLYTLDXHE-VUDPSUQNSA-N 443.397 4.832 30 10 IJEE CC(C)[C@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604843 VRLMWMSGCFEEQM-KQDNUWKFSA-N 446.397 4.997 30 10 IJEE Cc1scc(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c1Br 2343489569 XNDPPVZQZHBFBE-KPZWWZAWSA-N 426.185 4.517 30 10 IJEE Cc1cc(CN2CC[C@]2(C)CCOCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2343695395 XEXVMUUMLBFVKH-HHHXNRCGSA-N 435.417 4.866 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](C(=O)C#Cc3ccc(Br)cc3)(C2)C1 2360196462 REMMQRSEGQRXMS-VGOFRKELSA-N 432.358 4.797 30 10 IJEE CSC1(C#C[C@@H](OCCCN)c2scc(Br)c2Br)CC1 2361289316 YQFWLNOWLYKJGJ-LLVKDONJSA-N 439.238 4.579 30 10 IJEE CC1(C)C[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CN(Cc2ccccc2)C1 2364747241 ITDNXDODZKVJJR-HSZRJFAPSA-N 445.416 4.570 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Br)c2)cc1 20884967 JDBVQRHOVYKUNC-VQIMIIECSA-N 440.337 4.852 30 10 IJEE O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccccc1)c1ccccc1Br 22735338 QZJGIUSREOVUQM-UHFFFAOYSA-O 440.386 4.508 30 10 IJEE C=CCN1C[C@@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C 22812788 KQWVAUSXZDRQPZ-VHFRWLAGSA-N 449.639 4.847 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ncccn2)cc1 39838361 OWZAHSMBZGNZJJ-HXUWFJFHSA-N 445.862 4.551 30 10 IJEE Cc1ccc(C(=O)C[C@H]2S/C(=N/N=C3c4ccccc4-c4ccccc43)NC2=O)cc1 39843254 CXVHQNLMWKOOEL-JOCHJYFZSA-N 425.513 4.588 30 10 IJEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 41514542 BWYYTZYFUCNONN-XKZIYDEJSA-N 430.460 4.857 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)C1C2CC3CC(C2)CC1C3 59015080 AZCOMLQQSLYVNR-AUEPDCJTSA-N 429.977 4.638 30 10 IJEE C/C(=N\NC(=N)S[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 59489260 XKENEUSJIBRRMX-UJUJBVAOSA-N 442.544 4.667 30 10 IJEE CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc3c(c2)OCCO3)cc1 72471579 WARSVMBJSPVAEQ-KBMIEXCESA-N 442.519 4.588 30 10 IJEE Cc1c(NC(=O)[C@H](C)Oc2cccc(C#N)c2)cccc1C(=O)N1CCc2sccc2C1 108985422 UAAZSICUNFBTHN-KRWDZBQOSA-N 445.544 4.533 30 10 IJEE C=CCn1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(C)c2cc(C(C)C)ccc21 169863493 MBNGTJICTFIOLC-UHFFFAOYSA-N 447.539 4.525 30 10 IJEE CSc1nnc(Cc2ccccc2)n1/N=C\c1ccc(OC(=O)c2ccccc2)cc1 169916204 OXXUZQJYYTZIEA-UQQQWYQISA-N 428.517 4.692 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1ccncc1 169947638 QFHCEDJPAPRLDC-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)c(C)c1 169982059 PYWIYRRTJSHXHK-JOCHJYFZSA-N 448.544 4.914 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)cc1 169983973 PVOBSXKBUNAVFU-IBGZPJMESA-N 427.428 4.818 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)cc1 170034065 GMSILHMWYACBQX-HSZRJFAPSA-N 449.503 4.725 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170058053 QKERAOPTEHIIKS-HRAATJIYSA-N 436.895 4.579 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)C)cc1 170066098 BRAHOJRGBALSFU-QFIPXVFZSA-N 425.500 4.952 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)cc1 170080781 LCZSBUIVWXEPCE-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)cc1C(C)(C)C 170196942 DZHPNEHFAWYSBA-QFIPXVFZSA-N 434.536 4.909 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2)c1 170221298 XLUYSMXPCKZHNN-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)c1 170296005 MKQNXQSQVBBZQB-QFIPXVFZSA-N 435.451 4.984 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(C)o2)c1 170304395 IEUAVEOYIBJZER-QFIPXVFZSA-N 433.460 4.784 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(C)o3)oc12 170307128 OUHNOPBHVWZNFI-HXUWFJFHSA-N 433.416 4.714 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(O)cc2)cc1 170339246 IKYBCYDSZDHBEM-JOCHJYFZSA-N 432.476 4.614 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(Br)c2)o1 170402091 XJGDGDFVKYTHRL-GOSISDBHSA-N 439.265 4.528 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)c1 170410614 CJHHYMZSGPSSAR-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE CC(C)COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(O)cc2)cc1 170450612 YGMHZEYYIXTJRR-QHCPKHFHSA-N 447.487 4.799 30 10 IJEE COc1ccccc1/C=C1\S/C(=N\N=C/c2ccccc2F)N(Cc2ccco2)C1=O 210630377 CGLFVFTXMWLSFL-VBARTGPDSA-N 435.480 4.934 30 10 IJEE COc1cc(C=NOCC(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)cc1 254838403 LSDGMVNKTSYDPM-UTKZUKDTSA-N 444.959 4.973 30 10 IJEE C=C(Br)COc1c(Br)cc(Br)cc1C[C@H](N)CC 311209656 OMEIPYCCGXRQGL-LLVKDONJSA-N 441.989 4.779 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)c1cc(Cl)sc1Cl 404988216 XWKAPRHTCVLZEE-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE N#CC1CCC(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 441132616 FWIZBGOLQCBBDI-ZCYSNTRLSA-N 429.564 4.613 30 10 IJEE CCc1ccc([C@@H]2C[C@@H](C)CCN2CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)o1 464845078 LEHCAOMMEZGDDT-JTSKRJEESA-N 440.588 4.580 30 10 IJEE C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 473395198 MRFKMZDSWKJGIN-KSSFIOAISA-N 447.482 4.702 30 10 IJEE N#Cc1ccc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(Br)c1 481053356 JKDOBMQHBMCTMA-QGZVFWFLSA-N 441.304 4.889 30 10 IJEE C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1ccc(F)cc1 501217002 JDINSLVZMWAADO-UHFFFAOYSA-N 433.468 4.958 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 502769543 YVJDNMZYVJGVSY-FQEVSTJZSA-N 437.468 4.612 30 10 IJEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 508862851 GGJMNVGGECELMY-SFHVURJKSA-N 439.585 4.509 30 10 IJEE C=CCc1cc(CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc(OC)c1OC 524635674 HXGATGYDTATUDH-ROUUACIJSA-N 435.442 4.751 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])s2)c1 526605418 BUEQFNHIOJHFKF-FQEVSTJZSA-N 433.445 4.594 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526803730 KKDUPHWVAPWHSJ-UUYOSTAYSA-N 429.477 4.548 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 549641186 JQBGIXZISIAWAF-MBSDFSHPSA-N 436.531 4.559 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCOCc1ccccc1 555267173 PTXCCXGFQGLVNS-ZEQRLZLVSA-N 432.568 4.752 30 10 IJEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1c1cccc(F)c1 565742014 JHAWOKMSTMCYOJ-YCRPNKLZSA-N 430.487 4.507 30 10 IJEE CC[C@@H](C)c1ccc([C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2cccs2)cc1 585693234 ZLQXRZZFHKQSDI-WAIKUNEKSA-N 449.551 4.794 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C 586155403 BIEYYEZAFWZYBM-JXFKEZNVSA-N 432.973 4.990 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)c(OC)c1 586226929 NUAMWTYCMDKQKP-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc3cccnc23)cc1 586252482 MZQCPTZCMKUZFN-UHFFFAOYSA-N 443.528 4.901 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)C[C@@H]1CCCCN1Cc1ccccc1 719951683 WCEVRMWULDORQV-SANMLTNESA-N 448.460 4.781 30 10 IJEE Cc1cc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c(C)n1-c1ccc(C#N)cc1 741710737 HIMYTDNADTVVJN-HYBUGGRVSA-N 432.593 4.840 30 10 IJEE Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(OC(C)C)cc1 749656547 VMCBTWWUQMNJEU-UHFFFAOYSA-O 446.552 4.970 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C(C)=C/c1cccc(Cl)c1 758882809 DRHFZZPKOSSRSE-ZQHZRZASSA-N 426.900 4.630 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CC[C@@H](C(=O)OC)c3ccccc32)c1=S 766363769 HIGIZGPSOBFNSG-HXUWFJFHSA-N 434.565 4.700 30 10 IJEE COc1ccc(CNC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1C#N 766628698 HBFIQRADFOKTCT-SFHVURJKSA-N 436.512 4.706 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 769944336 DFQSNXRJSSNRQA-QHCPKHFHSA-N 439.515 4.769 30 10 IJEE C=CCOC(=O)N1CCC(OC(=O)c2ccc(SCc3csc(C)n3)cc2)CC1 790843317 AMLYLILCZHDMIV-UHFFFAOYSA-N 432.567 4.688 30 10 IJEE C#CCC(CC#C)C(=O)OCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 803700113 CFUJGCXRSSVQLD-UHFFFAOYSA-N 434.439 4.553 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 804457033 MQZLGCIJYGNCEH-RBPYYZBISA-N 444.531 4.643 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1 1125843070 WRECNOKDIBWMKP-HXUWFJFHSA-N 430.454 4.532 30 10 IJEE C#Cc1ccc([C@H](OC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)C(F)(F)F)cc1 1128970730 MPCATQMQUVBEFO-OCUNKTDNSA-N 441.449 4.767 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1129731777 YUKKNSOEFOBFLQ-SJKOYZFVSA-N 426.232 4.726 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21 1130740742 WCXPYMOYOUUQCV-QGZVFWFLSA-N 447.453 4.907 30 10 IJEE C=C(C)C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)OC 1132421312 FOBZQEPYKRFMJB-NRFANRHFSA-N 426.463 4.670 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1137018501 UVMPBIIUPVENBS-SQJMNOBHSA-N 431.536 4.643 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)n[nH]2)c1C 1143300151 CZOADOGXSYWERS-UHFFFAOYSA-N 446.536 4.642 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 1146875624 CWUHWQAKZLQUBU-SIKLNZKXSA-N 429.605 4.578 30 10 IJEE CC(C)Cc1ccc(C(=O)CCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1164154881 CEHLGGVDOQBYTR-UHFFFAOYSA-N 431.580 4.500 30 10 IJEE C#CC1(F)CN(C(=O)CCc2c(-c3ccccc3)[nH]c3c(Br)cccc23)C1 1176295216 ZBNCTQQIEHWEFV-UHFFFAOYSA-N 425.301 4.714 30 10 IJEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@@H]1CCC[C@H]1C(C)(C)C 1195277337 FHZRNELKNPERQQ-QTGUNEKASA-N 440.632 4.503 30 10 IJEE C#CCOc1ccc(F)cc1NCc1cc(Br)cc(Br)c1O 1200838211 PEVPKSSBTUQKND-UHFFFAOYSA-N 429.083 4.680 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)cc1 1215273750 UAJRNJAPSNXBOB-UHFFFAOYSA-N 428.467 4.783 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 1216743528 APANMJNGSDRGGL-IBGZPJMESA-N 427.342 4.994 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 1221525969 UJNUGGUMPCYMGB-DEOSSOPVSA-N 432.495 4.630 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)C[C@@H](C)O[C@@H]2C 1269568038 HZWOIKLXOMFVJF-CHWSQXEVSA-N 442.537 4.858 30 10 IJEE N#Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1F 1275990954 DDJVZUOZBYFORP-BJKOFHAPSA-N 447.941 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC(F)(F)F)cc1 1286282902 PISVETHEYLMBMX-AWEZNQCLSA-N 449.864 4.593 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCC 1286303801 DAHZUOYIVSJCTE-UYAOXDASSA-N 446.064 4.946 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N1CCC[C@H](C)C1 1286440501 AYYZBIRYJNTXFX-IRXDYDNUSA-N 434.415 4.832 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COCc1ccccc1 1286452675 JQDPZXGPVZEZQC-MDNUFGMLSA-N 438.616 4.509 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(F)F)C1 1286497304 OVZPDNMFEZIABI-RBUKOAKNSA-N 448.583 4.883 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN(C(C)C)C1 1286528412 ZQVSJCNWKWNSAF-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1286647740 AKFDMRFKGFATKU-UHFFFAOYSA-N 444.988 4.806 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(OC)C2CC2)CC1 1286665417 FKJFSSUQNQEUCH-XMMPIXPASA-N 442.629 4.797 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1286689100 JFNFYWCJNLZRFS-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCSC1 1286730770 NLUWIWDPORHBNM-AWEZNQCLSA-N 427.401 4.929 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1286733264 WMAIIGJEQKAXLT-GOSISDBHSA-N 425.577 4.603 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CC[C@](C)(CC)O1 1286753220 XTJKYQYOCRWRIH-NLFFAJNJSA-N 432.572 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1nc(C(F)(F)F)cs1 1286759515 PPITZUWCGFXKEB-UHFFFAOYSA-N 437.466 4.710 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 1289492291 KHDWOLIDQWVFBX-LBPRGKRZSA-N 434.115 4.625 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(CCC)C[C@H]1COc2ccccc2O1 1290950851 PUWUMPBWLJNPKZ-KRWDZBQOSA-N 435.442 4.962 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(CC)C1)CCC(F)(F)F 1295826851 DBPKPMUIGWODFE-QFIPXVFZSA-N 448.537 4.717 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 1296246904 UAAUTQZXBOJGIM-RTBURBONSA-N 434.458 4.866 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(c2ccsc2)CC1 1300422144 GQGQZBOYFVQZBS-UHFFFAOYSA-N 436.581 4.725 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1c(CC)noc1C 1300563357 HSEBXFJLLRSABN-UHFFFAOYSA-N 447.608 4.646 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1300746747 UVWMQONKQNGEKF-OALUTQOASA-N 442.629 4.732 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C 1300873012 DXNSNGFXPGWOQF-WIYYLYMNSA-N 441.963 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](C)C1 1300897493 SDBFUTDFWNRXAD-IPJJNNNSSA-N 444.670 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1c(C)noc1C 1300901945 WMCSLNCMHDGEGS-UHFFFAOYSA-N 431.544 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCc1ccccn1 1300904628 CZWMTAWWOSXRKG-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1300920507 CYTNPPSMVIOVCD-UHFFFAOYSA-N 448.514 4.792 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@H](C)C2)CC1 1301087730 RUMCUNFNDZJYLM-NRFANRHFSA-N 425.596 4.677 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1CC2(CCOCC2)C1 1301281081 AVQBZVZRGCPOKW-UHFFFAOYSA-N 440.588 4.570 30 10 IJEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(C(F)(F)F)CC2)C1 1301296591 AFYZDPYUADXLRC-QPIRBTGLSA-N 447.505 4.658 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 1303115729 RKODTJSZGGFHOK-FQEVSTJZSA-N 441.578 4.771 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cccc(C)n2)C1 1305878093 AYZLESRXFWWDBY-AREMUKBSSA-N 444.583 4.691 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC2CCCCCCC2)C(C)C)nc2sccc2c1=O 1307264694 WPXPLLWBQJGNNX-SFHVURJKSA-N 433.643 4.990 30 10 IJEE N#Cc1ccc(Br)cc1OCc1nc(-c2cccc(Br)c2)no1 1307353934 DXKJPTVCWURMOY-UHFFFAOYSA-N 435.075 4.712 30 10 IJEE COC(=O)C1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCCC1 1310137674 FNHXKMAEWFWUJL-LJQANCHMSA-N 425.916 4.850 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccccc1 1312334258 KEUZCJPLNUGFFM-FQEVSTJZSA-N 429.923 4.654 30 10 IJEE CCN(CCc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC1(C)C 1313793440 DSGLDWPJBOLVTR-IBGZPJMESA-N 435.597 4.905 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C)nc1OC)c1ccc2c(c1)OCCO2 1348530303 OJJLDOFJBABUHX-UHFFFAOYSA-N 446.503 4.582 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(F)c2)c(C(=O)OCC)c1C 1349734724 UQTMFUIBMHTECR-UHFFFAOYSA-N 425.865 4.621 30 10 IJEE C#CCN(C(=O)c1cc2cccc(F)c2o1)[C@H]1CCOc2ccc(Br)cc21 1353634045 HZCHAINNRBLOCX-KRWDZBQOSA-N 428.257 4.934 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccc(SCc4ccccc4)cc3)CC2)c(F)c1 1357643629 APZOZIUFIWCQTE-UHFFFAOYSA-N 431.536 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1noc2c1CCCC2 1358897875 HRWSYYUSZKOXCN-SFHVURJKSA-N 447.583 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)C(C)C 1359066626 HWJKCMFXVHVOHK-VWMXVWASSA-N 426.630 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCN1CC 1359107520 OPXGGKRRXLUOCI-FPOVZHCZSA-N 429.584 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1359109935 UTQQIIGRYFPUAM-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](OCC)C1 1359128538 XDWLBJZVYKMVNX-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccncc2)CC1 1359162603 WWUSSAMPSCNQGY-UHFFFAOYSA-N 442.336 4.641 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1359213738 FIUZWNZICVTGBJ-RTBURBONSA-N 434.588 4.827 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1359237701 JOJMIRHCJRGGQB-QGZVFWFLSA-N 438.576 4.694 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@H]1OCC[C@H]1C 1359264748 OKERKXAIQVULDK-DYESRHJHSA-N 442.560 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCCN1CCC 1359269358 YMUYHOBTMCHSFU-JOCHJYFZSA-N 430.600 4.936 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1359339204 XABBIRACZJHFEH-SFHVURJKSA-N 446.064 4.828 30 10 IJEE CCOc1cccc2c1OCC(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1)=C2 1435023783 HPEPNEQKEVREED-UHFFFAOYSA-N 426.472 4.950 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 1442061937 JOSHPYVBTFRLGN-GOTSBHOMSA-N 443.632 4.825 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1442771425 CXNWKJYJNWUDFT-INIZCTEOSA-N 442.478 4.742 30 10 IJEE C=CCC[C@H](NC(=O)c1ccccc1OCc1ccc(Br)cc1)C(=O)OCC 1449691993 GQRSFEDTSUETTM-IBGZPJMESA-N 446.341 4.656 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1459787339 ZZWDRGWLECDKGJ-UHFFFAOYSA-N 440.609 4.858 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1CCC(=O)Nc1cccc(C#N)c1 1459817371 BHFPDIMGWHNTSG-JOCHJYFZSA-N 444.501 4.897 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 1460796322 BTTVTFJFLLNUFV-WOJBJXKFSA-N 436.625 4.763 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 1464798433 ATRYRAKJAYNPQF-UHFFFAOYSA-N 436.515 4.883 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(SC)c(Br)c1)C(C)C 1467056913 UVAWLMMOWGHUEV-QGZVFWFLSA-N 426.424 4.991 30 10 IJEE C=CCNc1ncc(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)s1 1469829442 OKEDDJPVVNTKGK-QGZVFWFLSA-N 442.585 4.617 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(Br)cc(OC)c2)cc(OC)c1OC 1476357801 JPOZZKOEPYRQJD-UHFFFAOYSA-N 435.318 4.525 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCOc2ccc(Br)cc21 1477284624 ZKBWUKZDXRGYLJ-CVZQNNRQSA-N 431.374 4.742 30 10 IJEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1499802099 HEQARVXFWOIPMD-AATRIKPKSA-N 445.552 4.520 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1507567065 KIMPOWZDGJGZDL-GCJKJVERSA-N 438.572 4.839 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCO[C@@H]1CCCC[C@H]1C 1507607417 USYDKMCMMCQWIQ-YLJYHZDGSA-N 445.405 4.681 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC1(CCOC)CCCCC1 1507645331 XMVIBWSTCJYANX-UHFFFAOYSA-N 430.552 4.751 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@H](F)C1 1507699322 BONVGVBDQCYDSK-XLIONFOSSA-N 441.913 4.911 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCc1csc(CC)n1 1507771322 BYTMPMRAEQTANX-RUZDIDTESA-N 449.624 4.673 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1507830412 SRHJQSUAICLDQK-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](C)[C@H]1C 1507913995 DIRSGGWNXWCDRC-CVEARBPZSA-N 438.601 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1507919497 OBFVOMMPHFKANI-YADHBBJMSA-N 437.632 4.749 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507944808 ZBEVQFQTRMVCIR-UHFFFAOYSA-N 437.632 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)C1CCCCC1 1507971474 UJXYDBMROAIMCP-OAQYLSRUSA-N 433.394 4.661 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 1507990995 QVAUKZBKXHZISR-WMZHIEFXSA-N 440.588 4.568 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCCC(F)(F)F)C1 1508111906 KQXYAGRWPHHWQU-KRWDZBQOSA-N 431.462 4.617 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1cccs1)N(C)C 1509947386 AAMJWSLUGUDDDA-SJLPKXTDSA-N 434.569 4.794 30 10 IJEE COc1ccc(-c2cc(NC(=O)COc3ccccc3C#N)n(-c3cccc(C)c3)n2)cc1 1525496199 BXHXDAATTYJJID-UHFFFAOYSA-N 438.487 4.746 30 10 IJEE C=CCc1cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)cc(OC)c1OC 1526181991 BIRUWJPUSXADAN-UHFFFAOYSA-N 442.313 4.633 30 10 IJEE CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1526237785 HRVAFLTZTOAGDU-GOSISDBHSA-N 444.348 4.723 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)c2C#N)[C@H](C)C1 1527031413 AYJIGMOGBVYCOM-ZIAGYGMSSA-N 428.579 4.742 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)Cc1ccc(OC)c(OC)c1 1527817742 GEZTVENGYDWMGL-HNNXBMFYSA-N 437.458 4.896 30 10 IJEE COC(=O)c1ccccc1N(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CCC1 1528154118 HBOBQPMGCVXRTR-UHFFFAOYSA-N 430.460 4.716 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(C(C)C)[C@@H](c2ccccc2)C(C)C)ccc1F 1529102434 BIEYYIBXAUWQGV-JOCHJYFZSA-N 432.561 4.538 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 1531182566 SWKASEAXZLWGSW-UHFFFAOYSA-N 434.467 4.565 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1 1533831781 KGLGJEYAGJHKBN-OAQYLSRUSA-N 430.545 4.769 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3cccc(Br)c32)CCCN1C(=O)OC(C)(C)C 1535414845 WYIHNNFWHKCPAZ-NRFANRHFSA-N 435.362 4.684 30 10 IJEE COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1536568400 HUPJOZBTWJJMPB-JOCHJYFZSA-N 426.516 4.996 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1539086186 YQRGOIQKWBLEQL-FNAHDJPLSA-N 430.637 4.642 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCN(C)C1CCCCC1 1539542446 ZWPDXPPUSIADPV-XMMPIXPASA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCCCOCC 1539546271 DZQNFGSBRAKSOA-JOCHJYFZSA-N 445.405 4.825 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1ccco1 1539581051 VSDDIDDAERJYSS-CYBMUJFWSA-N 432.278 4.552 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCCc1ccccn1 1539624023 PRLZWKBKZQKEQP-XUZZJYLKSA-N 431.584 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1539656281 VAXHZOZNJFQOIW-NHCUHLMSSA-N 425.621 4.724 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)c1ccccc1 1539946375 AISFJUWWGDTUBR-FGZHOGPDSA-N 449.643 4.722 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)CN(C(=O)OC(C)(C)C)C1 1540595206 PFYBPTXWKULIQA-SFHVURJKSA-N 434.964 4.523 30 10 IJEE C=CCn1c(N2CC[C@H](c3ccccc3)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861055 ZUASQARPUAANQL-PBASOCQRSA-N 437.588 4.617 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(SC)CCC2)C1 1540883910 GWOXZNKLEVGDGS-RTWAWAEBSA-N 426.630 4.887 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C2CC(C(C)(C)C)C2)C1 1540887328 VDYWGZFXCVGXCN-AFMYVXGZSA-N 440.588 4.741 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCC[C@H](C)C1 1541107263 ICTGFOFYHZFKSZ-RBUKOAKNSA-N 440.661 4.603 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Br)c(C#N)c2)cc1C 1544821454 CNKCUHLPTHZRDT-UHFFFAOYSA-N 448.324 4.967 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1)OC 1545302547 DRDJCPIEFRHZCO-QWTQLVPVSA-N 439.604 4.805 30 10 IJEE COC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1554568835 CQJQAUBAHMJYQE-OPAMFIHVSA-N 431.968 4.627 30 10 IJEE C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1)C1CC1 1558958273 SYYHYNDPIHCAMJ-UHFFFAOYSA-N 439.364 4.893 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1562166744 AOHBLOXTOQZLRK-MOPGFXCFSA-N 433.430 4.813 30 10 IJEE C[C@@H]1CCCN(Cc2ccc(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)cc2)C1 1562320212 FZOLTEXUCXTBPW-MRXNPFEDSA-N 428.483 4.713 30 10 IJEE C#CCN(C(=O)Nc1cccc(O[C@H](C)CC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1562871560 MSPFMEVCTOIWIK-GOSISDBHSA-N 429.561 4.731 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 1585106144 LBCMHNALZGDBFJ-UHFFFAOYSA-N 441.508 4.565 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2Cl)c1 1585585287 QAGJGKLPWMGJFT-OAHLLOKOSA-N 425.316 4.500 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccc(C)s1 1587750443 XHMSLANCPZRWDB-UHFFFAOYSA-N 430.581 4.941 30 10 IJEE CCOc1ccccc1-c1cccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 1587767089 HAFRAFDCBRWZJV-UHFFFAOYSA-N 429.495 4.725 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](CC)C1 1587883504 COBXZOYUNMQCLR-OAQYLSRUSA-N 426.630 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnccc1OC 1589178492 YMFLKSJWKWYZJX-AREMUKBSSA-N 429.568 4.687 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1589243258 YYQJAWJYMBCFHI-PCGJDWNTSA-N 449.643 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)COC 1589608324 FMGKKKLNJANCEB-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)cc1OCC 1589676390 SWSFGTUDWHYNIZ-UHFFFAOYSA-N 425.602 4.792 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C2CC2)CC1 1589694457 JLEDHGREHJRTTI-IBGZPJMESA-N 429.609 4.943 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1593826799 RDDBHNSYYRRURX-IUODEOHRSA-N 436.869 4.722 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(OC)CC1)c1ccccc1 1594543634 DAMBXKHMOGURIE-UMFSSWHCSA-N 438.616 4.927 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1594687419 QPPHWYZSMRYUOW-UHFFFAOYSA-N 440.960 4.911 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N(C)C1CC1 1595185377 XZGHFJSGSBYVLZ-SFHVURJKSA-N 425.646 4.937 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1595658526 FZXWEFYLYQJKPK-QFIPXVFZSA-N 437.632 4.544 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(N2CCc3ccccc32)CC1 1595838551 XAEHGSHYWZWUHN-IBGZPJMESA-N 425.646 4.742 30 10 IJEE C#C[C@@H](NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1F 1597003209 PKQBHJGZJNYBQE-OAQYLSRUSA-N 442.918 4.877 30 10 IJEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)C1 1615424847 BKMBFGHLOOTLRK-QFIPXVFZSA-N 434.632 4.811 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCc3c(Br)ccc(F)c3C2)cc1 1617063254 AHIPGEMZGNBVAZ-INIZCTEOSA-N 444.348 4.590 30 10 IJEE COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)C2 1623023824 FQSGFTOSGHURLJ-OAQYLSRUSA-N 445.494 4.964 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)cc1OC 1623323228 AZWNVSAEVPQUPT-WZUFQYTHSA-N 426.476 4.850 30 10 IJEE CC#CCN(C)C(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 1625335822 OAJJJUCYZWJHOG-UHFFFAOYSA-N 445.755 4.543 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 1631379947 BHVZHJVGWXNPBT-UHFFFAOYSA-N 435.524 4.691 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 1631681125 YBUFATXYXAHQPJ-HXUWFJFHSA-N 440.547 4.835 30 10 IJEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)cc1 1639323565 BRBXSUUOAPDKRF-UHFFFAOYSA-N 446.919 4.603 30 10 IJEE N#Cc1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1Br 1639474254 DKEAGHZMKNOLKH-QGZVFWFLSA-N 436.256 4.530 30 10 IJEE C#CC[C@H](CCOC)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1641836834 LNNZFFLJSSPAAV-NZCCEVMUSA-N 449.532 4.680 30 10 IJEE C=CCN(Cc1noc(-c2c(F)cccc2Cl)n1)[C@H](Cc1ccccc1)C(=O)OCC 1642726674 WDOBZPZASMXLAJ-LJQANCHMSA-N 443.906 4.692 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSCc2ccccc2C)c(C(=O)OCC)c1C 1643392156 CXKCGZYENQYJGH-UHFFFAOYSA-N 447.578 4.756 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 1645232755 YNJQUSHWAGPFFM-IEBWSBKVSA-N 435.996 4.532 30 10 IJEE C#CCN(C(=O)c1c(C)[nH]c2ccc(Cl)cc12)C1CCN(C(=O)OC(C)(C)C)CC1 1649383811 UZSDTHWIIVQGDG-UHFFFAOYSA-N 429.948 4.605 30 10 IJEE C=CCn1c(SCCCN2CCN(c3ccccc3)CC2)nnc1-c1ccccc1C 1652701453 ORRPTELBBHETTL-UHFFFAOYSA-N 433.625 4.744 30 10 IJEE Cc1ccc(Br)cc1CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1664501332 CEDNWYSDZNMBBT-UHFFFAOYSA-N 435.368 4.631 30 10 IJEE C#Cc1ccc(NC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C)c(Cl)c1 1664989742 LUZSTBZAWFEMHE-INIZCTEOSA-N 431.964 4.965 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CCCC1 1665141768 SRFNZWBIPAADIT-GHDARCQNSA-N 445.629 4.800 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(F)c(Br)cc1C 1666025352 DCCDEJALVJPQPO-UHFFFAOYSA-N 438.771 4.988 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 1667955766 DEGYOWQFJVYBPK-PXNSSMCTSA-N 447.988 4.604 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](CO)c2ccc(F)cc2F)cc1F 1669489355 DCXJWLSCENKEMO-LJQANCHMSA-N 427.382 4.623 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC)c1ccc(Cl)cc1F 1670009404 QKZMIYXEGOZYPM-SFHVURJKSA-N 425.895 4.817 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)c3ccc(OC)cc3Br)cc21 1673312192 RIATZMLKLZZCDG-ZDUSSCGKSA-N 429.318 4.876 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(C(F)(F)F)ccc1-n1nc(C)cc1C 1673371530 PGOVGAAIIBFGNG-UHFFFAOYSA-N 442.441 4.842 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)c1ccc(Cl)cc1 1675495847 CVBNNGHWLADMFQ-FGZHOGPDSA-N 425.960 4.549 30 10 IJEE CCCc1c(NC(=O)NCCc2ccc(Cl)c(OC)c2)cnn1-c1cccc(C#N)c1 1676503262 HRQZWYHDDBXWHX-UHFFFAOYSA-N 437.931 4.723 30 10 IJEE C=CCCCCCCNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1679878794 LGLLTNGQXAVSFK-LJQANCHMSA-N 436.394 4.689 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1685817462 ONZFMZLDLVDYOG-HXUWFJFHSA-N 433.474 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCCN1CCC 1690196122 ZBTMXOXMFAONEL-ZJSXRUAMSA-N 426.008 4.855 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1F 1690241437 SEHFOEMVKNXXQY-WIYYLYMNSA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)c1ccc(C)cc1 1690269648 CLZIVUSMMXDQHU-IBGZPJMESA-N 437.613 4.784 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCSC2(CCCCC2)C1 1690280574 ZMIWQMPXAAZRAR-UHFFFAOYSA-N 428.602 4.795 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)=C(C)C1 1690304464 CVWGCVSPZHLHCV-UHFFFAOYSA-N 437.407 4.908 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CC2(SC)CCOCC2)CC1 1690414692 GPIRMLYWOMTSDD-UHFFFAOYSA-N 440.657 4.768 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCCN2CCC)CC1 1690415444 LYAGEZINXGKCQC-HSZRJFAPSA-N 437.632 4.832 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690452065 WBWKYYNUUZQYFV-IFMALSPDSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1690456182 YGMQVEHSQFQECA-UHFFFAOYSA-N 438.547 4.916 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(C)nn(C)c1C 1690516505 LFIAWUSXOCQCDZ-UHFFFAOYSA-N 426.977 4.834 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1C[C@H](C)O[C@@H](C)C1)C1CC1 1690539498 BNWLSWFSUIEIEQ-HOTGVXAUSA-N 430.980 4.966 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1690604305 RZVJMEILSDBYFA-VWLOTQADSA-N 449.643 4.504 30 10 IJEE CCc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(C#N)CC2)s1 1694530146 FSBPITIPYMJCJG-UHFFFAOYSA-N 435.597 4.886 30 10 IJEE COC1CCC(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)CC1 1697640591 IBLGTYRILJQIHJ-MPQSDHOMSA-N 429.996 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1=CCCCC1 1705485672 NCAQTVPJRGOBPA-HNNXBMFYSA-N 429.362 4.675 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H](c1ccsc1)N(CC)CC 1705496205 BIYUEBNCSMQWFG-NZQKXSOJSA-N 435.641 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1C[C@@H]1C 1705676523 DYBPVZMDJNMXFG-RGZWJVDOSA-N 426.992 4.900 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCCCc1ccccc1 1705686425 YNDKPYFZPOZJJW-LJQANCHMSA-N 433.394 4.540 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1705692024 WXOCWNOABTZORQ-HNNXBMFYSA-N 441.320 4.556 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccn(C)n1 1705713157 VFYVOTYKADEJOB-UHFFFAOYSA-N 449.784 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1705715008 PBZSIHCDWXYWSQ-DEOSSOPVSA-N 446.599 4.588 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705722247 CJEKSXWZVIZDRZ-UHFFFAOYSA-N 437.544 4.572 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)CC1 1705729861 AYUXVGFOZCKLPW-INIZCTEOSA-N 440.922 4.900 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1cccs1 1705731732 BHCMOQIFLDWBDM-MRXNPFEDSA-N 427.530 4.705 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1705783446 HWEXUEHJHQCQQM-GOSISDBHSA-N 442.677 4.547 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC2(CCCCC2)C1 1722318271 YMIKZAPCIMAULY-UHFFFAOYSA-N 426.992 4.865 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC[C@@H](COC)C1 1722339059 VPPZWWUFASINDV-OAQYLSRUSA-N 438.616 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(C)CCCC 1722376439 OMOAGWHEWMCUDR-UHFFFAOYSA-N 440.016 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC(F)(F)C1 1722390122 BCVOPEWHOZUZPD-ROUUACIJSA-N 446.929 4.970 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C1CC1)N(C)C 1722474874 LYPIQHSKOPZFHY-NFBKMPQASA-N 444.048 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1c(F)cccc1OC(F)F 1722475006 UNOHVSDRIMRGPH-JOCHJYFZSA-N 446.498 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCN(C)C(=O)OC(C)(C)C 1722512443 GRMTUDJDODLISW-UHFFFAOYSA-N 438.576 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC)CC1 1722514748 FMIWUTLMUGNDQZ-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=C(C)COCCn1c(N(Cc2ccccc2)CC2CCOCC2)nnc1C(C)(C)C 1722535439 BJROIDGCKCORQF-UHFFFAOYSA-N 426.605 4.602 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1722543906 ARJNCQHMAVLMKN-INIZCTEOSA-N 447.992 4.931 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN(CC)CCC)CC1 1722565103 VQRUQRCBZAZWIC-LJQANCHMSA-N 432.012 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1722587524 RQKFJHFREXFNLI-NRFANRHFSA-N 448.615 4.552 30 10 IJEE C=CCCCCn1c(N(C)Cc2ccc(C)o2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722609587 FFFOOPZBNXQGHT-KDURUIRLSA-N 443.592 4.943 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@H](C)C1 1722655739 JSYFQCJYMOWMHR-HYBUGGRVSA-N 433.600 4.890 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CC1([S@](C)=O)CCC1 1722659109 QFVGOUGXWMCNNT-PMERELPUSA-N 426.630 4.505 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1C(C)(C)C)C(C)C 1722668108 ZIIGDIZWMIFORM-DHIUTWEWSA-N 443.680 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1740555999 QDSMSBAPCWPDLT-QGPMSJSTSA-N 425.989 4.864 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCCOC)CC1 1740568897 UJVCTLKZFMGGPR-UHFFFAOYSA-N 438.616 4.678 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1cccc(F)c1 1740633713 QQHIAIIZMLWLIL-UHFFFAOYSA-N 448.567 4.566 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1cccs1 1740721662 PNEYAWWLYAMCNG-HXUWFJFHSA-N 438.622 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCOCC(C)C 1740726192 ZCCHYRJQNVMKCJ-YADARESESA-N 428.552 4.612 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@H]2C)CC1 1740842808 MGWHWUSZYFEBDN-PMXSJFBMSA-N 443.636 4.887 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(F)F)C1 1740850819 KWAXFLMBOGEJKW-VQIMIIECSA-N 432.515 4.874 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740879521 IKDKPCNBYUAILJ-UXHICEINSA-N 428.552 4.605 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1740887187 DWSYDHSGQBOVHK-YADHBBJMSA-N 431.669 4.550 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(F)(F)F)n2)C1 1741987362 AJHRYZLJSDDYKK-OAQYLSRUSA-N 432.494 4.603 30 10 IJEE C[C@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)C1 1743029519 HXXCVJFBWNKZJV-FPOVZHCZSA-N 437.588 4.560 30 10 IJEE CCc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@H](C)CC#N)s1 1744359635 FXVXZZXFINPVRV-QGZVFWFLSA-N 436.585 4.558 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)c(F)c1 1748915019 ROXSTGCVKOURFS-UHFFFAOYSA-N 438.572 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN(C)C1CCCC1 1749146911 RVQVELVOTIOLKI-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCC(C)CC1 1749171567 XWUCYYISFUOJKS-FQEVSTJZSA-N 429.584 4.519 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1749222186 BTJGGBMSUITZIY-QGZVFWFLSA-N 427.499 4.717 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1749418113 XRZYDYXIOXOXMQ-UHFFFAOYSA-N 428.005 4.948 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(F)(F)F 1749427099 KXFMMWQBXZFTOB-UHFFFAOYSA-N 445.530 4.747 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C 1749558007 QGFGJYVTJHWARJ-RTWAWAEBSA-N 431.669 4.526 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1749582319 JCVSMEXRLJVRFE-UHFFFAOYSA-N 441.620 4.678 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N(C)Cc1c(C)nn(C)c1C 1749689666 IRRSCBKSXMVPKD-UHFFFAOYSA-N 434.588 4.536 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC2(CCCCC2)C1 1749757958 HXQREJQSDGKCJR-UHFFFAOYSA-N 447.048 4.981 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cc(C(C)(C)C)no1 1760122957 VLIQKRXCXLUSSO-GOSISDBHSA-N 449.599 4.946 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1760158121 DTQQZOMEHOWBAI-NRFANRHFSA-N 432.355 4.707 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC(C)(C)C)nc1 1760173144 KWHIKTIBRWLOEP-UHFFFAOYSA-N 449.624 4.966 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCCS1 1760224870 BJYZIOXZFJRYNX-RXVVDRJESA-N 428.602 4.562 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccoc1C 1760273729 AQHYBSHJYACSBW-QGZVFWFLSA-N 444.988 4.976 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C(C)C)C1 1760301638 GDRJXTPFGCZKIA-QGZVFWFLSA-N 441.377 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(CC)C1 1760318961 JRSGWLRSAARMRA-KDSXSNECSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(F)(F)Br 1760334233 WJNIQFQNDSOJGK-UHFFFAOYSA-N 438.320 4.827 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1760396677 HTWUAQCVTWUBTM-PZJWPPBQSA-N 441.595 4.692 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1OCCC1(C)C 1760467410 YXNFELDGERDGRV-KRWDZBQOSA-N 425.360 4.601 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CCc1nnc(C)s1 1760484379 XNSJNQXIJZHGBU-UHFFFAOYSA-N 440.592 4.745 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2ccco2)C1 1760559858 LNOQEFHHGSJOIG-UNMCSNQZSA-N 438.597 4.910 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1760564684 FIWCSSYDBIEADI-GOSISDBHSA-N 449.665 4.548 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCSC1 1760698150 CSYHYSIRTGRBAS-KGLIPLIRSA-N 440.400 4.513 30 10 IJEE C[C@@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1 1762867175 CHAOPLPRLXASOW-LJQANCHMSA-N 441.023 4.993 30 10 IJEE CC[C@H]1CCCCN1CCn1c(CC2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1765104378 FDEYZUCNKGSAHN-DEOSSOPVSA-N 434.632 4.783 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C(C)(C)C)[C@H]1CC[C@@H](C)C1 1769798122 CQMNYGCMGQVAIW-COPCDDAFSA-N 439.604 4.519 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cc(C)cc(C)c2)CC1 1772554839 NZPXTAWTDXLFOA-SANMLTNESA-N 438.616 4.581 30 10 IJEE CN(C)c1ccc(/C=C2/SC(=NN=Cc3ccccc3F)N(Cc3ccco3)C2=O)cc1 1772759807 ZHWDOWVBCOARNR-ISIQRHQGSA-N 448.523 4.991 30 10 IJEE CCCCCCCCn1cc(O[C@@H](CC)C(=O)OC2CCCCC2)c(=O)cc1C(=O)O 1857890870 HMWIVXPZJFTCCJ-NRFANRHFSA-N 435.561 4.940 30 10 IJEE CCCCOc1ccc(C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)cc1OCC 1859475732 JFVUQKOORCYMKB-UHFFFAOYSA-N 430.526 4.935 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC 1860728990 QPXBRGPPVNSXKK-VQHVLOKHSA-N 447.915 4.766 30 10 IJEE CSc1ccc(Cl)cc1CC(=O)NCCCCCC(=O)Nc1ccccc1C#N 1860832303 JCAWWYXEELTPGI-UHFFFAOYSA-N 429.973 4.791 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCC[C@H](C(=O)Nc2ccccc2C#N)C1 1860894131 XKZRKFIPQYVBLH-KRWDZBQOSA-N 441.984 4.743 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861568814 PPZOMACUHIQQEL-UACNQURRSA-N 430.589 4.623 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccc(Oc2ccccc2)c1 1861765738 OFNDVGWUYWRGMN-URXFXBBRSA-N 438.568 4.531 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(O)c1 1862411833 PWOSIKOBRCJEJN-YIILKADPSA-N 427.447 4.827 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C(=O)O 1862434294 WAORMNAEFHIMTL-IBGZPJMESA-N 427.884 4.807 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1O 1862435662 BGPZAXIUIMVOSI-FQEVSTJZSA-N 429.900 4.679 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 1862510300 AHIRLNZCSJNHHW-LHSJRXKWSA-N 427.472 4.528 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2c(F)cccc2Cl)cc1 1862531607 QXRPLAADTBUZFG-OAQYLSRUSA-N 445.918 4.782 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862534330 QYNDTIPMGJIFHH-DEOSSOPVSA-N 437.499 4.904 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Cl)cc1 1862535210 CACYKXQFQCJVAJ-OAQYLSRUSA-N 427.928 4.907 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862579746 TXEAFLFZHXPPMX-GOSISDBHSA-N 436.291 4.609 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862628478 ZQAIVTQUTFRSSL-HSZRJFAPSA-N 449.503 4.725 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CC(C)C)cc1 1862758917 HKVRIECGMYOEQW-NRFANRHFSA-N 438.480 4.618 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(F)c(F)c3)C2=O)c1 1862799981 QGHRJOPKFUDRBU-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(c3ccccc3Cl)C2=O)c1 1863076717 WWOVGJHBNRCLNR-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(CC)cc2Br)=C(c2ccc(C)cc2)C1=O 1863273243 VWFWGOOWDUCRGB-UHFFFAOYSA-N 425.326 4.698 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cc(C)ccc2C)C1=O 1863408623 MIODIQAKBZHHDB-UHFFFAOYSA-N 431.536 4.574 30 10 IJEE CC(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1ccccc1C#N)c1ccc(Br)cc1 1866976350 BIPYWSBKNBUTNF-LJQANCHMSA-N 442.357 4.594 30 10 IJEE CC(C)C[C@@H](C(=O)N[C@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Br)c1 1867198900 TWGTWDXYSNVQCA-DNVCBOLYSA-N 442.357 4.594 30 10 IJEE CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(C#N)nnn1Cc1c(F)cccc1Cl 1870108986 FWVVBNOQLCSJIQ-CQSZACIVSA-N 441.894 4.520 30 10 IJEE CC(C)COc1cccc(C(=O)Nc2c(C#N)nnn2Cc2cccc3ccccc23)c1 1870109898 OQACPRVBZQCZHS-UHFFFAOYSA-N 425.492 4.638 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1ccccc1CC 1870901324 DPYYGICDBGBYOP-UHFFFAOYSA-N 446.547 4.756 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871009263 MRUSNMDQEZLUQO-UHFFFAOYSA-N 426.438 4.848 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)c3C)C2=O)o1 1871433500 BXBUPXVDGQZKOV-NKVSQWTQSA-N 449.415 4.866 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871888963 AIEGBOJOIBEDTO-UWJYYQICSA-N 434.989 4.960 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc(OCc3ccccc3)c1)n2CC 1873612831 MGNLTAIOHOVHHP-UHFFFAOYSA-N 427.508 4.880 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(F)cc1 1874219173 YGOXBYCAYVNQRV-AFUMVMLFSA-N 440.544 4.770 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(OC)c(O)c1 1874256269 RKPVENXWZLWIDU-ZMOGYAJESA-N 438.553 4.657 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccccc1C(=O)O 1874299666 MQISTDYGXNOHMH-WYMPLXKRSA-N 436.537 4.723 30 10 IJEE CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cc(Br)ccc1F 1874380343 NRJFTYNALALPAS-SSDVNMTOSA-N 437.313 4.904 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCC(=O)OCCC)cc1 1874509583 KCHGXISBOOKJFP-XQNSMLJCSA-N 432.590 4.727 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CC2)cc1 1874516226 MPZQRORKOKMZSN-AFUMVMLFSA-N 433.581 4.948 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC 1874626427 DXNFJSIENFGSFK-DHZHZOJOSA-N 425.525 4.512 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCc3ccc(OC)cc3)n21 1875036260 JCOJATIFJKYGDT-SFHVURJKSA-N 430.618 4.781 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@H](c4c[nH]c5ccccc45)C3)n[nH]2)c1C 1890601608 ZCHIOZKFHLHQNG-SFHVURJKSA-N 428.540 4.577 30 10 IJEE C[C@H](C#N)c1cccc(C(=O)N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)c1 1890807304 SGACCFLDYNBGKO-MRXNPFEDSA-N 430.474 4.716 30 10 IJEE CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)[C@H]1c1ccccc1 1892383467 YVKKTXAQZIWURD-CLJLJLNGSA-N 449.554 4.681 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Cl)c(Br)c2F)NC)C1 1892691636 NYSWIVSMUZZBIX-AWEZNQCLSA-N 447.776 4.986 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1949192574 AAAIQVQHFHUOBA-OAQYLSRUSA-N 434.541 4.607 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1965442873 MFRAGMJYHWVGIN-DYLHXGEVSA-N 444.575 4.858 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CCC1 1987026011 VVYSMPJOWAIRCB-LGIRGXTLSA-N 444.575 4.858 30 10 IJEE C=C(Br)CCOc1c(Br)cc(CNC)cc1Br 1999741332 MXKMXIBMKAJUBN-UHFFFAOYSA-N 427.962 4.609 30 10 IJEE C=C(Br)CCOc1c(Br)cc(C[C@@H](C)N)cc1Br 2045034542 IBHXAHWBWQXBQK-SECBINFHSA-N 441.989 4.779 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 2089284324 SOSCQNWJPYWEPK-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2118186920 DMTYGBCVCIZPHN-AWEZNQCLSA-N 426.330 4.734 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3c(Cl)cccc3Br)C2)OC1(C)C 2132685350 XHEXIMFWCQRNMX-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2ncc(Br)cc2C#N)CC1 2162397118 DDLZZFMCGSZMIG-MRXNPFEDSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C#N)(C3CC3)C2)cc1Br 2181047933 HLIHNBYIGAUWJU-HXUWFJFHSA-N 434.334 4.562 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cc(Br)ccc2C#N)c1 2181132412 GRCPWEPUCWWKMH-UHFFFAOYSA-N 430.302 4.849 30 10 IJEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCCC1 2181140289 YRFBHOQJSUZIGR-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE CC1(C)OB(c2cscc2CN2CC[C@]2(C)CCOCc2ccccc2)OC1(C)C 2214595088 GBOSVJWMCHDSCG-XMMPIXPASA-N 427.419 4.619 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2ccccc2Br)CC(C(C)(C)C)C1 2235730102 JWCFOQXEHBESMT-OJCRERRGSA-N 436.390 4.881 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428598 PFTOVOCXXLQCCL-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE Cc1cnc(NC[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241096216 ZUANZERKKJRRHA-NUNAXRQHSA-N 447.432 4.544 30 10 IJEE C#C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2243924237 DCQPJBXHRCTSHF-UIOOFZCWSA-N 444.575 4.858 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1sc(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2247801793 HQNIRHDDXUFCDV-UHFFFAOYSA-N 425.403 4.883 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247986172 RLFMECCXQAPLQV-UHFFFAOYSA-N 427.781 4.938 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1B1OC(C)(C)C(C)(C)O1 2255608483 MDUBHOVYENDSDQ-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE Cc1csc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1B1OC(C)(C)C(C)(C)O1 2255659265 PQZYJQBFGHGDAC-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2260362738 IIQKHBJKJUMSCL-YLJYHZDGSA-N 447.450 4.865 30 10 IJEE O=C(C#Cc1cccc(Br)c1)c1cc(Cl)ccc1I 2278735233 MULKCGJKJAMLBZ-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE C[Si](C)(C)C#C[C@H](OCCC(=O)O)c1cc(Br)c(Br)s1 2290653847 AWBNNOJUGUJFDX-JTQLQIEISA-N 440.229 4.686 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2296277682 VMMBFPTZHAYDGY-UXHICEINSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296289136 OKWKNHBBYHVRBE-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2296293649 LWNQNIFOWZDPRB-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1 2297378341 CDSUYYKEHRLDOY-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccs1 2297743059 BAYFQVNZRNABPR-NRFANRHFSA-N 443.565 4.550 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CC2)cc1 2320885431 DTWOCVRMYWACNU-UHFFFAOYSA-N 444.601 4.898 30 10 IJEE COc1cccc(C(=O)C=CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 2320940923 WUBGLZLWNOQXEQ-UHFFFAOYSA-N 443.322 4.959 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1OC 2322211742 SGUYIUMJVNZUAS-UHFFFAOYSA-N 446.960 4.787 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4c(OC)cccc4OC)c3C)C2=O)cc1 2322748806 VNVHFBLXIPXADS-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)cc(C)c3C2=O)cc1OC 2323164078 NUDKFFMHHVOGSQ-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1Cl 2323582911 ZSXJZVCXSRZBQA-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(O)c3CN3CCN(Cc4ccccc4)CC3)C2=O)c1 2324193070 OIPJXHBLJBTRKV-UHFFFAOYSA-N 440.543 4.635 30 10 IJEE Cc1cc(O)c(CN2CCC[C@@H](CO)C2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324209892 HRQOEASOCGAPEG-LJQANCHMSA-N 435.564 4.819 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2324745361 BHEDZHJGGVWYME-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324893493 XTUJETZQFQSVFM-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(OC)c1 2325512661 YPCJBGZSHLNANP-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(N(C)C)cc1 2326101404 KQJGEEQRPDLYKR-UHFFFAOYSA-N 429.977 4.797 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327199962 YVPKSNBPKGFNKK-UHFFFAOYSA-N 437.525 4.667 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)cc1 2328563730 HFPSSBYZADXBGL-UHFFFAOYSA-N 447.539 4.976 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccnc1 2328677677 ZRUMAYBHLRONLK-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(C(=O)OC)cc1 2328904720 SKYLQZUGQZSHOV-UHFFFAOYSA-N 438.553 4.645 30 10 IJEE CCCOc1c(C=Nn2c(Cc3ccc(F)cc3)nnc2SCC)cccc1OC 2329827270 SMRQDRJVPLGQFT-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1c(Cl)cccc1Cl 2330008199 TZUVIKNEYXMCMA-UHFFFAOYSA-N 449.363 4.631 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(CC2CCCCC2)nnc1SCCCO 2330283190 MVXXQFFWUZUAOL-UHFFFAOYSA-N 438.597 4.919 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] 2330623487 ZWPVCLUVJXHGKG-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2cccc(C)c2)cc1 2331117749 FRCZUPOLGYMSLH-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)CCCSC 2331175075 OGLLYEYHPXYSGP-UHFFFAOYSA-N 429.494 4.938 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)COc1ccccc1 2331260009 BFKYTSGLDXUTQB-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE COCc1nnc(SCCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2331579785 HEGORPRROKRZDL-UHFFFAOYSA-N 432.549 4.803 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1Cl 2331698632 XGBVGKRYXAABJM-UHFFFAOYSA-N 433.844 4.723 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)c1 2331728719 DMPMPOQGNQXBFW-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE C=CCC1([C@H](NC)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2339213155 XFXXVGMPPMAMOJ-QGZVFWFLSA-N 425.367 4.531 30 10 IJEE O=C1CCCC2=C1[C@@H](c1ccccc1O)n1nc(SCc3ccccc3Cl)nc1N2 17102849 KXQYUFALYGZDLW-HXUWFJFHSA-N 438.940 4.951 30 10 IJEE O=C(Oc1ccc(C=NNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc12 19647078 ZFFKDENIBLOJNN-UHFFFAOYSA-N 448.475 4.511 30 10 IJEE CCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc2sc(C)c(C)c2c1=O 22072067 CTQIJDFMTPMOBD-DRGVTQIHSA-N 446.642 4.506 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)NCCc2ccc(OC)cc2)cc1 22801105 YXHDDGFPMLFUKG-UHFFFAOYSA-O 433.597 4.706 30 10 IJEE Cc1cccc(C)c1/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CC1 28722602 KKSXEQZHMWWXMW-CUBIIZMHSA-N 429.492 4.704 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCSc2cc(C)c3ccccc3n2)nc1C 32528631 NEUTYFYHECLOBU-UHFFFAOYSA-N 427.551 4.772 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)c1 33960215 KYXIXLFLKXMLNY-LPYMAVHISA-N 449.001 4.940 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)c1cccs1 34718751 LHRPCRYZEKXZMX-UHFFFAOYSA-N 426.513 4.646 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1 34954238 WVLMNXQZWGMQBB-KMKOMSMNSA-N 432.428 4.548 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(CCc1cccs1)CO2 41587279 AXPXDNXYYDFNII-NHDPSOOVSA-N 448.500 4.976 30 10 IJEE COc1ccc(/C=N\N=C2\S/C(=C\c3ccccc3F)C(=O)N2Cc2ccco2)cc1 47137610 CJMBSIGBSMLVGK-ZJHZAIRNSA-N 435.480 4.934 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3cccs3)n2)cc1 59038777 ZKAKQZNZELRMFU-DZOGZAPRSA-N 428.587 4.947 30 10 IJEE CC(=O)Nc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)sc2c1 59040962 ORJBCJOEJZSAOC-UHFFFAOYSA-N 442.591 4.797 30 10 IJEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 72002326 BJJNZMHKTRXAAX-KRWDZBQOSA-N 442.494 4.729 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 102904410 OZMXIBDQKZBSHF-GOBJLOIFSA-N 446.484 4.833 30 10 IJEE CCc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(OC)cc3)C(=O)c3ccccc32)cc1 103746202 DNKFNZHFMHJZBQ-SLEBQGDGSA-N 446.528 4.628 30 10 IJEE Cc1ccccc1N/C=C1\C(=O)c2sccc2N(Cc2ccc(F)cc2)S1(=O)=O 105337066 YLITYTRUHYSRDV-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1cccc(C)c1 170139744 UNBKELDTACSSBX-JOCHJYFZSA-N 437.536 4.624 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccs1 170157233 PFNKJOZGMJBZSM-HXUWFJFHSA-N 435.501 4.862 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccn2)ccc1OC(C)C 170171438 AXBVBIWXFAIPOM-HSZRJFAPSA-N 444.487 4.666 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccn2)cc1C 170171445 MYCZRDHKOYINMJ-HSZRJFAPSA-N 444.487 4.667 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 170184497 NJZLNZQZMRVWNB-LJQANCHMSA-N 426.806 4.796 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)cc1C 170185765 LMGLOHBTQLJPJE-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1cccnc1 170187987 BLPVPTJZINRCSC-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccncc1 170211018 HYWQFMCUDLVTBQ-FQEVSTJZSA-N 444.915 4.521 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2C)cc1C 170272888 PREXUSUYUWXNRL-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccco2)c1 170297069 MPQCYJCIEZWHOR-OAQYLSRUSA-N 432.432 4.583 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccco2)ccc1Cl 170297276 GYXDCWZFQNDZCS-LJQANCHMSA-N 449.850 4.601 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2sccc2C)c1 170317119 VMOGMKHKKVCZNJ-FQEVSTJZSA-N 434.517 4.629 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1sccc1C 170318976 FBPVYUXITGNGOQ-LJQANCHMSA-N 429.538 4.842 30 10 IJEE N#CCCn1cc(/C=C\C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c2ccccc21 210347467 IFJYBAGVROHYOB-XFXZXTDPSA-N 432.487 4.917 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C/c2ccccc2)[C@@H]1c1ccc(Cl)cc1 229205768 OXAJWMHQGZRGPP-GQNRTZCHSA-N 438.955 4.660 30 10 IJEE CC[C@H](C)NC(=O)[C@@H]1CCCN1c1cc(-c2ccc(C#N)cc2)cc(-c2ccccc2O)n1 248167241 PCWONXYDEDVTJM-UUOWRZLLSA-N 440.547 4.876 30 10 IJEE N#Cc1ccc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Br)c1 301890643 UCAUGKWPRKZBQT-UHFFFAOYSA-N 425.252 4.815 30 10 IJEE N#CCOc1ccc(CNc2cc(Br)ccc2I)cc1 380006962 CISUWNLPNKHYBV-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2)OC1(C)C 405018127 YTOIPUVMYWEDMI-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 407888316 QWEIRBCYDVJYFD-DLBZAZTESA-N 429.374 4.968 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CC2 474956772 UWWUJYQVRHIYFT-NRFANRHFSA-N 430.527 4.878 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1C#N 490613073 XBHYXEDRPOAGHQ-AWEZNQCLSA-N 437.496 4.590 30 10 IJEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c1C 523534584 CHAWKOQCWUERTH-INIZCTEOSA-N 430.537 4.670 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 523770160 LJISIGJPARGMMZ-XMMPIXPASA-N 430.508 4.980 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 523907284 XGQYCVYKSCDZJZ-SSEXGKCCSA-N 429.542 4.862 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)c1 526523477 YLMKFTJNCMOTCA-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c(Cl)c1)c1ccccc1 526772820 LUCIDYONFZOBNS-NRFANRHFSA-N 449.846 4.557 30 10 IJEE COc1cc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc(Cl)c1O 526816596 ANFVLXMCWLAOGJ-UYOCIXKTSA-N 441.315 4.921 30 10 IJEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)cc1OC 526819184 DIGUEBPXHVOROX-JJFYIABZSA-N 447.358 4.622 30 10 IJEE COc1cc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc([N+](=O)[O-])c1O 526821434 SMGINUZTKVHNMD-FMCGGJTJSA-N 449.492 4.537 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 549247740 BKVBYAAOBCOMNW-UHFFFAOYSA-N 439.579 4.634 30 10 IJEE C=C(C)Cn1c(CCCC)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549263378 GCJIWOORVXFUDH-NRFANRHFSA-N 427.980 4.803 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(c2ccnn2C)CC1 549265554 FTLKGEQBDIWYIR-UHFFFAOYSA-N 448.615 4.983 30 10 IJEE COc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC(C)C)cc2)c1 586259345 PLWZAAILZSMFTC-UHFFFAOYSA-N 436.533 4.750 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCCC 719443930 PFIMESACKBABDP-SJORKVTESA-N 443.813 4.930 30 10 IJEE CN(CCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)OC(C)(C)C 728192257 GOGZGOWVUCEZCC-UHFFFAOYSA-N 441.503 4.862 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 731076616 BKOSPADPYDPBKT-OLMNPRSZSA-N 428.941 4.877 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 735569674 FREBXBPALZTFRT-AVRDEDQJSA-N 445.485 4.922 30 10 IJEE C=C(C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(F)cc1 777450543 UXPLRZPDLUEDRY-HXUWFJFHSA-N 439.512 4.565 30 10 IJEE C=C(C)[C@@H](NC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 779097534 RFILECPUIJNDBH-HXUWFJFHSA-N 440.556 4.831 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C)C[C@H]1c1ccccc1F 809926634 NWITVFHTDITHLM-GCJKJVERSA-N 449.530 4.617 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)C1CCC(CC)CC1 812186688 YVUFWZPHCMRRNS-UHFFFAOYSA-N 425.577 4.686 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 812351813 ANJINZJVEAUXNO-IRFCIJBXSA-N 448.872 4.759 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 914539664 FZDGEECYQSEHLS-QGZVFWFLSA-N 436.364 4.651 30 10 IJEE Cc1ccc(C)c(N=C2NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)S2)c1 1083939412 MFLBGTVOLKZUJE-REZTVBANSA-N 431.311 4.686 30 10 IJEE CC[C@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCCC2)n1 1084033605 IRTDHRCOLNTGLZ-INIZCTEOSA-N 438.605 4.626 30 10 IJEE COc1ccc(C=Nc2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)cc1 1084501119 PVVUBMKYSCWDGV-UHFFFAOYSA-N 441.597 4.611 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1cc(Cl)ccc1Cl 1084571571 ZPXCBDDGXPUWIC-AWVGZZLGSA-N 447.351 4.953 30 10 IJEE C[C@@H](Oc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1)C(=O)O 1084613173 VBXAYTXBHNGJLZ-LYQMGENXSA-N 437.304 4.737 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 1136915483 GALNPBVEOPMBAF-SMIHKQSGSA-N 445.563 4.819 30 10 IJEE CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1141753047 HNBMACAAEDCHPC-QHCPKHFHSA-N 444.491 4.635 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H](c2ccccc2)c2nc[nH]n2)c1 1157831572 HCVLKWFMXCFVAT-FQEVSTJZSA-N 443.894 4.684 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 1161319939 WMVJPMARFODLOA-UPVQGACJSA-N 440.971 4.549 30 10 IJEE C=CCCC(=O)CSC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccc(SC)cc2)N1 1164453616 PSKPZAOTVFAVKY-HXUWFJFHSA-N 432.611 4.903 30 10 IJEE COC(=O)c1cc(Br)ccc1SCc1c(C#N)c(C)nn1-c1ccccc1 1189902209 HMNCSVTWMSVIBQ-UHFFFAOYSA-N 442.338 4.894 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(SCCC(=O)OC)c1)c1ccc(Br)cc1 1216323251 JZMYLHJVMDWPTI-GOSISDBHSA-N 447.354 4.600 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C1CCCCC1 1221909437 HQRUUFFRRAMHRQ-NHCUHLMSSA-N 428.577 4.804 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1264879668 JOVMZJXGXBVQRD-HXUWFJFHSA-N 427.328 4.734 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 1267007291 VRXVBEHSKIXRSW-XMMPIXPASA-N 428.488 4.834 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)N1CCCCC1 1286273015 FALXKJQGWSPNAX-NQIIRXRSSA-N 437.975 4.877 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC[C@@H]1CCO[C@H](C)C1 1286528641 JEFYUGAKTLMZHR-IPVFLDMMSA-N 436.600 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1286578464 ISJWGODMIWVBLW-XMMPIXPASA-N 437.632 4.629 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](CN(C)CCC)C1 1286587642 OPJHDVOPKOBBLS-RTBURBONSA-N 427.662 4.876 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cscn1 1286603266 QNFUVDXVDKMXRT-INIZCTEOSA-N 443.642 4.817 30 10 IJEE C=C(Cn1c(N2CCC(NC(=O)CCCCC)CC2)nnc1C(C)(C)C)c1ccccc1 1286619945 XYAHSIKSYWIJLP-UHFFFAOYSA-N 437.632 4.954 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CCCc1ccnc(C(C)(C)C)n1 1286744957 OJULDBMHGKYIFQ-UHFFFAOYSA-N 436.579 4.893 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCCC1 1286747339 IVYZPPPOSKVQQT-UHFFFAOYSA-N 444.004 4.943 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC(C)(C)c1ccc(F)cc1 1286764433 PDTRYSGXFZJKMW-UHFFFAOYSA-N 446.530 4.680 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)[C@@H]2C[C@@H](OCC)C2(C)C)cc1 1286795160 XBIQKDIYYPPERV-DHIUTWEWSA-N 449.599 4.537 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H]2C(C)C)cc1 1286796023 HNPCHMCMYIZUQY-QFIPXVFZSA-N 437.613 4.872 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)C1 1291012693 CWAOAZLWQCGPJF-SZPZYZBQSA-N 434.632 4.955 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1291956840 WOHKFHVGOVMNJA-XMMPIXPASA-N 432.495 4.607 30 10 IJEE CCCOc1ncccc1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C#N)CC1 1294976832 CYNQCOQCYUEFDT-HSZRJFAPSA-N 444.583 4.792 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(CC)C1 1294980403 ABPIAUJBYODSQW-VWLOTQADSA-N 430.556 4.675 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1OC 1299718943 USAFZDJMMLNHDS-YBDDICJNSA-N 449.938 4.824 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC(C)(C)C)CC1 1300683997 VTULRHFIEWVEKW-LJQANCHMSA-N 444.023 4.653 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCc2cccc(Br)c2C1 1300763067 MXAWVIRWZBZUHZ-UHFFFAOYSA-N 447.446 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H](C)N1CCC[C@H](C)C1 1300816145 IZLIICOQIDINLW-BCQCSXDESA-N 449.643 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCCOc1ccccc1 1300877031 UGRBOIRTJCMQHU-OFNKIYASSA-N 436.556 4.733 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC(F)F)c(OCC)c1 1300946045 ABLCJRBZFRVEDU-UHFFFAOYSA-N 443.498 4.861 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2ccc(C)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1301061458 VFAUUHHTAIEWJO-NFBKMPQASA-N 430.980 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1301154662 YOPFVIXQRYQYDX-UHFFFAOYSA-N 446.599 4.558 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 1301158618 KGXHSLQWQRJRFD-FQEVSTJZSA-N 430.568 4.850 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(C)C)C1)c1ccccc1 1301167651 DAPHKSHMJXCNJN-ZEQRLZLVSA-N 432.616 4.982 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1301173406 GXRDHNCZTWZYRG-OAQYLSRUSA-N 446.555 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccsc1)N(C)C 1301365807 ZUJANNHEPMYUID-WOJBJXKFSA-N 443.642 4.748 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NC1CCCCC1 1301380044 YKYGTXQZUSZEPF-UHFFFAOYSA-N 427.980 4.616 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2cccs2)C1 1301538903 MDRXAWGVKJMLLP-XLIONFOSSA-N 442.560 4.643 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301594362 AZQJNDIWHXLBLF-IRLDBZIGSA-N 427.662 4.810 30 10 IJEE C#C[C@H](N[C@@H](C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1)[C@H]1CCCO1 1307703148 ORFBLWGTCGSATN-MDNUFGMLSA-N 431.561 4.569 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1312943266 OXYPQIZRGRCVOH-QOKNQOGYSA-N 437.943 4.536 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1)OCC 1351449694 SWHUYPISDJZIRA-DEOSSOPVSA-N 442.003 4.972 30 10 IJEE C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)Cc2cccc(OCC#N)c2)[C@@H]1C 1351610038 FDBSSNWGIGECGO-PWHSHALESA-N 434.536 4.714 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(C(=O)c2cccc3ccccc23)cn1C 1353677715 KXLHHBNMONEHAU-UHFFFAOYSA-N 437.499 4.577 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cc(F)ccc1OC)c1ccc2c(c1)OCO2 1353966743 WDVVFZDYYTVMSQ-UHFFFAOYSA-N 449.478 4.904 30 10 IJEE CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1358153083 DAVVXYPGVUSUFE-MRXNPFEDSA-N 449.860 4.632 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1C(F)(F)F 1358424072 GGJKYJCCXQELDG-KRWDZBQOSA-N 437.393 4.921 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C(CC)CC)N(C)C 1358882540 BYIWGKBHHYBLAZ-OXQOHEQNSA-N 446.437 4.532 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1358909485 HUAJABLXIXTEML-UHFFFAOYSA-N 429.568 4.780 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(F)(F)F)CC1 1358919159 UHQBDORQOAPNQO-UHFFFAOYSA-N 447.505 4.729 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1358944419 SLIGOVCDJJLWOL-ZEQKJWHPSA-N 436.600 4.645 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(OCCC)nc1 1358954095 USPVWMZTBPXTRD-UHFFFAOYSA-N 441.988 4.525 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1CSC 1359104624 DLJAJFNMMXVLGX-XIYVOTBMSA-N 448.677 4.510 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359198397 PVALACXTSZAQQW-GMAHTHKFSA-N 438.616 4.951 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC1(C)C 1359223716 ULIJQABNCGQDHV-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1Cc1csc(C)c1 1359256498 HVLDTCSXKNPGOU-JOCHJYFZSA-N 433.581 4.655 30 10 IJEE C=C(CC(C)C)C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 1442801933 LRTPTQKINTVROA-IBGZPJMESA-N 433.321 4.987 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCNC(=O)c2ccc3ccccc3c2)C(F)(F)F)cc1 1460041700 MPILSCAMZMKAML-QFIPXVFZSA-N 425.406 4.788 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)cc1 1463923336 PSFMSUMKMZZHLN-FQEVSTJZSA-N 444.576 4.796 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 1463934527 UXOFASGGOINHTN-ZJSXRUAMSA-N 445.563 4.723 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(=O)[nH]ccc3c2)cc1OCC 1474203261 CFIQUHJQXFPYFZ-UHFFFAOYSA-N 429.314 4.866 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 1477620049 ASZVDCXVRYIEKO-HXUWFJFHSA-N 439.441 4.640 30 10 IJEE C[C@H](NC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1478375881 CRGJPKWJVVZDJV-MBSDFSHPSA-N 448.567 4.985 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc(Br)cc1 1478534948 OHSNPJAGNIMVSY-CGTJXYLNSA-N 448.158 4.741 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1507599796 UGKODZKQNQFINU-GOSISDBHSA-N 446.567 4.864 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1507743948 GFOZIHUJDHMXHF-OALUTQOASA-N 433.021 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1sccc1C 1507761223 HFBBECBEONWXTI-RUZDIDTESA-N 447.608 4.752 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCCCC1 1507799183 VNRNUNNQLZPWGE-AZUAARDMSA-N 432.515 4.908 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1C1CCC1 1507837168 JUCAVBKDILNGCK-AVRDEDQJSA-N 428.552 4.919 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CCOC)C1)c1ccccc1 1507924455 NTDDMRXACUTSMI-FYYLOGMGSA-N 431.584 4.871 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1507935902 WDOGVWXYDWSBOQ-SIKLNZKXSA-N 440.588 4.931 30 10 IJEE C=CCCCn1c(N2CC[C@@H](CC(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507954286 QUVXCFMGWNLHLT-SLFFLAALSA-N 431.625 4.887 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1ccccc1)C1CC1 1507987477 DBWFMJMLUZHNKK-OAHLLOKOSA-N 426.362 4.994 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccco1 1508001422 QMBCZFRYFIVXJV-UHFFFAOYSA-N 438.329 4.870 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1508017938 KJRSCYNTIOWTBR-RUZDIDTESA-N 431.540 4.722 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(C)C)C1 1513600477 DHXFGXCXNWRSFA-UHFFFAOYSA-N 427.618 4.887 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCCCN2C(=O)c3ccccc3C2=O)C(C)(C)C)cc1 1517425992 ZQFCXSVVGOYKJU-UHFFFAOYSA-N 448.563 4.845 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCCc3cc(OC)ccc32)CCCN1C(=O)OC(C)(C)C 1521771890 NSUPDYDSNBKAKL-KBMIEXCESA-N 428.573 4.577 30 10 IJEE C#Cc1ccc(C(=O)Nc2nc3cc(Br)ccc3n2-c2ccc(C)cc2)nc1 1523521773 PHHXNIOJTZQAFB-UHFFFAOYSA-N 431.293 4.725 30 10 IJEE CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1527017395 HEBXXNKWCWJZLE-QHCPKHFHSA-N 429.476 4.646 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c1 1527477006 XQGUNDWQXNDGHW-DEOSSOPVSA-N 432.520 4.738 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(C#N)c2)C1 1528304114 IBGBIFQKRWZFJX-XLIONFOSSA-N 431.964 4.853 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1530768470 RUJSMGVPEUEXTI-DGGJZMOXSA-N 436.499 4.606 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C)c3cc(Br)ccc32)cc1OC 1532271300 PDMZSGQNUCEIFV-POHAHGRESA-N 443.341 4.519 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1538199432 SJDOJJSEIWQBEH-OXJNMPFZSA-N 428.326 4.510 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1C1CC1 1538988038 ZPXNEBAVQVRGEW-CRAIPNDOSA-N 432.399 4.727 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cnc(C)s1 1539237680 IOYRURZZXXNRKS-UHFFFAOYSA-N 437.981 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(OC(C)(C)C)nc1 1539562580 ADBWXKVVMFIBQG-XMMPIXPASA-N 435.597 4.543 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1539735971 VUVXZSSWBURVMM-UHFFFAOYSA-N 439.648 4.658 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1539947531 OFTNFMVHKMYGQT-INIZCTEOSA-N 445.558 4.955 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ncc(CC)s1 1539954891 IKNRVILOMSGVIW-UHFFFAOYSA-N 425.558 4.685 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCCC[C@@H]1C 1540069152 KJCATKYDZAZUOA-FQEVSTJZSA-N 434.588 4.877 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC(F)(F)CO1 1540140866 VCRIKAKRGVJQHO-SFHVURJKSA-N 446.523 4.632 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540855374 PGNAZHWGEKWTGT-OAHLLOKOSA-N 439.551 4.534 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCOCC)C1 1540886337 ANGVKULAGMWAEZ-LJQANCHMSA-N 442.560 4.631 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1543002606 GWKDXIBVFKOROC-AREMUKBSSA-N 445.615 4.848 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 1543381361 HXLKTIJASSMFIS-UHFFFAOYSA-N 426.314 4.676 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 1543994128 AJEPEFLFAUYVQW-PGRDOPGGSA-N 443.378 4.619 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)C[C@@H](C)S1 1544746570 ASFIENQXFVBSIC-ZIAGYGMSSA-N 430.002 4.910 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1ccc(Cl)cc1 1556907178 GPQUHYXOHSFCLV-FQEVSTJZSA-N 428.879 4.573 30 10 IJEE C#CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1560702478 UNQFGDFQZPEISY-QGZVFWFLSA-N 435.705 4.970 30 10 IJEE Cc1cc(Cl)cc2c1N(S(=O)(=O)c1cc(Br)c(C#N)cc1F)CCC2 1561296960 BJBREKMAVJKHJN-UHFFFAOYSA-N 443.725 4.563 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)C1 1585882143 ROOKUOWIDPUGRL-DBTWGZIYSA-N 444.575 4.750 30 10 IJEE C=C[C@H](OC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1 1587278753 GFZMRMDOHFMPKA-OWBBTNHHSA-N 427.522 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(CC)(CC)SC 1587556042 MEDBBCZPQJCOLA-GOSISDBHSA-N 427.618 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)c1nccs1 1587587014 WGZXPNQWJNCSHG-HUUCEWRRSA-N 444.402 4.734 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1=CCCCC1 1588180357 CVLJSIBUIMUKSW-NRFANRHFSA-N 432.568 4.780 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1CCCCO1 1588180786 KQXZCUCJBBOAPO-RPWUZVMVSA-N 448.611 4.847 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)c2C#N)[C@@H](C)C1 1588270440 DRDCTJHTWSSGGE-KBPBESRZSA-N 440.569 4.978 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCO[C@H](C)C1 1588284640 XKHDVINUKVCCMM-RTBURBONSA-N 426.630 4.940 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC2=CCCCC2)CC1 1588876747 HOGWNMKXNJRDGZ-UHFFFAOYSA-N 435.641 4.525 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(CC)C1CC1 1589178387 XAQMIZXYWUUHSX-JOCHJYFZSA-N 432.399 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccccc1C 1589544839 KGGBAIAXMQIGFP-OFNKIYASSA-N 426.605 4.672 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@H](C)C1CCC1 1589559401 QYEAQJYCKBHNRZ-WPWBMXPQSA-N 438.616 4.874 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@H](C)c1nccs1 1589559754 ULUJUIWZVIYXKZ-CUWPLCDZSA-N 429.634 4.688 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cccc(OC)c2)C1(C)C 1593639737 ZKCSKTHRZHFDKZ-MOPGFXCFSA-N 436.980 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1594529866 ZIJXNZZNQGLXLV-GOSISDBHSA-N 433.641 4.871 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](SC)C1)c1ccccc1 1594543407 AEMTZMIQOGASOL-IFMALSPDSA-N 436.629 4.760 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1594697442 BKPGQMINDQPUBU-UHFFFAOYSA-N 446.599 4.594 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCCC2)C1 1594784192 UDFYYUIJHQZOCK-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1595034158 XBLSVZOVPMQMFG-SFHVURJKSA-N 441.576 4.648 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCC(C)CC1 1595119619 BXLZVDKAWMQSSN-QHCPKHFHSA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCC1(F)F 1595119814 GIJMTAFASRAELA-SFHVURJKSA-N 449.521 4.574 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCN1CCC 1595127760 YJWJISBFHVAASW-QFIPXVFZSA-N 448.590 4.936 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS[C@H](C)[C@@H]2C)cc1 1595639928 OQVDFJCDOZJHOJ-ZWKOTPCHSA-N 440.638 4.874 30 10 IJEE Cc1cc(C(F)(F)F)cc(C)c1NC(=O)COc1cccc(Br)c1C#N 1611326643 HKMCMKSLTWTOIP-UHFFFAOYSA-N 427.220 4.974 30 10 IJEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC)CC2)C1 1614386654 FQPGUNOSKVTPFX-KNQAVFIVSA-N 448.615 4.528 30 10 IJEE C=C(C)c1cccc(NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)c1 1616752777 ZSVRWEHQUBROLY-UHFFFAOYSA-N 432.973 4.993 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@]2(c3ccccc3)CC2(C)C)n(Cc2ccccc2)c1C 1620454788 DOWZBCQGFNQXOE-HHHXNRCGSA-N 426.564 4.878 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)cc1 1622929721 UHJMWQSOQMBEGG-GOSISDBHSA-N 434.393 4.648 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccccc2CC(=O)OC(C)(C)C)cc(OC)c1OC 1623167553 ZLYAZOBDBQRWKG-UHFFFAOYSA-N 440.540 4.638 30 10 IJEE CCc1nnc(O)c(CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)c1CC 1624852639 CYELEOSWPUBYAS-UHFFFAOYSA-N 433.537 4.652 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1 1636552278 NDNZPQRAZULNRH-HXUWFJFHSA-N 435.877 4.561 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)Cc1cccs1)C1CCOCC1 1637127133 AXCIUTAONBMCGT-VGSWGCGISA-N 431.001 4.973 30 10 IJEE Cc1c(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)sc2ccc(C#N)cc12 1638762660 AMUHUNGPMSKRBA-FGTMMUONSA-N 439.581 4.847 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)NC[C@H](O)c3ccccc3Br)c2)cc1 1639092429 DRDKWKSEIGCLHZ-NRFANRHFSA-N 437.293 4.576 30 10 IJEE CCc1nnc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C#N)c1CC 1639204114 FJSGIWQEIRIZCO-UHFFFAOYSA-N 447.533 4.663 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 1640613818 BDAOBRCJHRGTAH-UHFFFAOYSA-N 436.478 4.607 30 10 IJEE C=CCC[C@H](NCC(=O)NCCc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 1642443893 NPQKUNGWQIGVJG-FQEVSTJZSA-N 426.429 4.939 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 1643381379 OJWKLNMYRHQDON-CVEARBPZSA-N 432.659 4.964 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 1645353839 RFHNAPTZJOFBLC-GDBMZVCRSA-N 431.627 4.760 30 10 IJEE C#CCOc1cccc(NC(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)c1 1649401963 XFRNALFEYRMIKS-OAQYLSRUSA-N 449.551 4.967 30 10 IJEE C=CCOCCSc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@@H]1CCCO1 1652450699 LMUKJWSJRBNAHM-SFHVURJKSA-N 442.606 4.907 30 10 IJEE N#Cc1cccc([C@@H](NCc2nc(O)c3ccc(C(F)(F)F)cc3n2)C(F)(F)F)c1 1655409484 HXXMUVAGZOMCQE-MRXNPFEDSA-N 426.320 4.619 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC3(CCCCC3)CC2)cc1 1659348154 HZOJTDSOLLGKQH-UHFFFAOYSA-N 434.584 4.959 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 1659524805 KGOLCKGYPMUAGI-HDICACEKSA-N 428.330 4.758 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC(CC)(NC(=O)OC(C)(C)C)CC3)cc2n1 1664855013 XOIBPSUGCGMZRV-UHFFFAOYSA-N 427.549 4.524 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C34CCCC4)cc21 1664933722 VPGLRCKQKRESAA-FQEVSTJZSA-N 439.560 4.666 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1666921789 ZBFSXLMDVCCPNB-NRFANRHFSA-N 441.597 4.560 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 1667554712 UOJWAMVMBFSBQF-INIZCTEOSA-N 429.879 4.760 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ccccc2Br)c1 1669495670 XVFSTIUWEQZLSF-KRWDZBQOSA-N 425.330 4.944 30 10 IJEE CC(C)(CNC(=O)Nc1ccc(Br)c(C#N)n1)c1ccc(F)cc1Cl 1673983607 GTXYZICUSMTJBI-UHFFFAOYSA-N 425.689 4.608 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 1674180406 JXLXFBXOQNULLO-UHFFFAOYSA-N 426.538 4.655 30 10 IJEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCCc2ccccc21 1677300350 DOJCTHOIESJWSX-RLSLOFABSA-N 449.570 4.662 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 1677417102 HNTTZNLWCCVSOY-FGZHOGPDSA-N 440.588 4.708 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(C(F)(F)F)cc1 1679968281 NLKQPNNBAMJLKN-HBMCJLEFSA-N 439.522 4.655 30 10 IJEE COc1ccc(Br)cc1CN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1683258599 BMPUPKHJONQJGM-IBGZPJMESA-N 428.330 4.548 30 10 IJEE C#C[C@H](NC(=O)N(CC)CCOc1ccc(Br)cc1)c1ccc(Cl)cc1 1683676789 VSTLQABLNOCZLW-IBGZPJMESA-N 435.749 4.887 30 10 IJEE C=C1CCC(CNC(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CC1 1685084470 XPBDEYLVVIIUNP-UHFFFAOYSA-N 447.623 4.866 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](CO)Cc1ccccc1Br)c1ccccc1 1685799151 OUOZXHYQDKYMBB-UWJYYQICSA-N 431.374 4.607 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](OCC)C1CCCC1 1689867175 POMSOKILHTTYOZ-PSWRPDDJSA-N 430.637 4.640 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1689876624 FTBDTJBLQGEMKD-VQTJNVASSA-N 440.588 4.624 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccoc1C 1690251705 YDTXOVXORBLAAW-ILBGXUMGSA-N 434.584 4.972 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1CC1(N(C)C)CCCCC1 1690271517 SANUUGLGCQOCFL-UHFFFAOYSA-N 425.621 4.832 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1690412551 VSTYRIWZOUUWSV-FQEVSTJZSA-N 445.652 4.916 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)N2CCCCC2)CC1 1690415711 VRMXCVFIPPXIRT-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690456017 RZUDWHRITWGSNG-UHFFFAOYSA-N 441.885 4.698 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1690460217 CWPRTJGDZQAOQG-HXUWFJFHSA-N 433.556 4.671 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(NC(=O)c2ccco2)cc1 1690579403 LJCDPVGQXJXVTM-UHFFFAOYSA-N 447.564 4.988 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1nc(C)cs1 1690607081 BSJCIRWUQCEOAX-HKUYNNGSSA-N 441.601 4.569 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCc2ccccc21 1690643846 YMZNGZHEVVZGDC-NRFANRHFSA-N 437.588 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1CCCCO1 1705483128 NYIIKSITJWLSRE-GJZGRUSLSA-N 437.407 4.576 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](COC)C1 1705510291 WXQWGONVIKAIMC-RTBURBONSA-N 426.630 4.798 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705511510 WWOYHFBHBKVRTB-WMZOPIPTSA-N 432.410 4.865 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1705735147 KHSJZJHEGDLQHC-PKTZIBPZSA-N 440.588 4.853 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(Nc2cccnn2)CC1 1705811437 DUNOFXFDLWYUPJ-QFIPXVFZSA-N 431.588 4.657 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1(C(C)C)CC1 1705860582 KYPPGUJMPXBKIJ-UHFFFAOYSA-N 426.568 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cnn(CC)c1 1705869620 AAFHAIDDAVFOLH-UHFFFAOYSA-N 445.596 4.820 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCc1c(C)noc1C 1705870831 PCHSOHAYSZMOCT-UHFFFAOYSA-N 448.390 4.795 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](OCC3CC3)C2)cc1 1705911808 QQAWGOQDFRSALZ-QHCPKHFHSA-N 438.616 4.875 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(C)C)C1 1705913768 XPDDPPVCPXDRKY-IBGZPJMESA-N 437.613 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2c(F)cccc2SC)C1 1705919333 BTMTUSZORGYKLS-INIZCTEOSA-N 428.533 4.537 30 10 IJEE CC(C)c1nc(CCn2c(-c3ccccc3Cl)nnc2N2CC[C@](F)(C#N)C2)cs1 1706269227 FUDOTXJGXWUORF-NRFANRHFSA-N 444.967 4.863 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1 1708022210 FZEZXTLVNIBBTE-XDHUDOTRSA-N 441.645 4.668 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1712793100 GOWKRIHNFYVDET-SFHVURJKSA-N 434.613 4.767 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1CCC(C(F)(F)F)CC1 1722299073 DRYXEVNOEMDTKR-LRYGQEGESA-N 434.506 4.704 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(Cc1ccnn1C)C1CC1 1722338604 LJVKGVXBEOSBCV-UHFFFAOYSA-N 441.004 4.540 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@H]1C(C)C 1722403715 BJIQYHYSIQVIGH-QUCCMNQESA-N 445.405 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC(F)(F)C1 1722506022 QEIRULJCFTWTNO-CQSZACIVSA-N 442.352 4.884 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1722528783 ONSYTMMUYUJCHQ-LJQANCHMSA-N 426.605 4.839 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1OC 1722610033 KTRAUBJDSNJSHC-UHFFFAOYSA-N 444.377 4.657 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)Nc1cccc(Cl)c1C)C1CC1 1722649179 LIKRCQWDRNOLEB-FQEVSTJZSA-N 443.979 4.665 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@H](SC)C(C)(C)C 1722674256 AWNSPPLZQDYUAN-HXUWFJFHSA-N 427.618 4.889 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2sccc2c1 1740536682 KXPVMINNLBGDNT-CYBMUJFWSA-N 440.370 4.757 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740568785 PKAODQAOFOZMQE-UHFFFAOYSA-N 441.576 4.534 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1740675002 ATXLRKZFQGENJD-GMAHTHKFSA-N 445.032 4.889 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)C[C@@H]1CCCO1 1740712111 XFEXHJUUTVAFMU-HKUYNNGSSA-N 444.670 4.503 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSCC1 1740738063 CUCFMOMGFPQMCU-ZDUSSCGKSA-N 443.798 4.533 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(OCc2ccccc2)CC1 1740794031 YXUNPYLOECIXPE-UHFFFAOYSA-N 426.605 4.645 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCCn2ccnc2C)CC1 1740839395 HJPRDQDEKYHHBG-UHFFFAOYSA-N 439.007 4.910 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCCCN1CCCC1 1740892911 QDOPRCFZFFGDCK-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2sccc2C)C1 1740978124 ORTUUZRBAVHUGF-KRWDZBQOSA-N 428.989 4.992 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1741003978 LEHPLCJXIICSGZ-QFIPXVFZSA-N 447.048 4.753 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)CN1CCCC1 1741797733 AXDOLTRTOCTWQM-MRXNPFEDSA-N 432.975 4.598 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1CC 1749046947 LFUZXSHCLMCTGT-HXUWFJFHSA-N 426.630 4.900 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1749218302 KVRUDPFPHNLICR-WIYYLYMNSA-N 437.975 4.969 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1749293560 BNHMKPQGOREULI-RTBURBONSA-N 429.012 4.518 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1749343084 AGUCYXQXVIUSHS-UHFFFAOYSA-N 444.627 4.556 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1cc(Br)cs1 1749531007 BPWMUEXGIKMDMF-UHFFFAOYSA-N 442.386 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1ccc(COCC(F)(F)F)cc1 1749549423 WBAIZHJEEHIWCE-UHFFFAOYSA-N 436.503 4.968 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCCN1C1CC1 1749564823 ZWALAEVDYRQAJI-LJQANCHMSA-N 429.971 4.933 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CC[C@H](C)C2)C1 1749719272 RMEFSJCQQCBKOF-SLFFLAALSA-N 442.629 4.797 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CCCN3CCCCC3)cc2C1 1752081322 FGVVMTJNKAOLSQ-RTBURBONSA-N 440.661 4.746 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(OCC)CCCC1 1760101685 UUAFCRYVKFRAFS-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)c1ccccc1 1760104339 XACIYCADBONBJO-GDBMZVCRSA-N 445.386 4.615 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@](C)(OC)C1 1760146656 RSBISVIZCOTFKE-DEOSSOPVSA-N 435.597 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760334029 NQBFQNKWNZMQQR-NHCUHLMSSA-N 434.632 4.960 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760369972 CYOZHQKJEBDANY-RBUKOAKNSA-N 446.979 4.500 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2c(C)noc2C)CC1 1760404953 KRHZHUNIYHRCAX-KRWDZBQOSA-N 446.555 4.540 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1760408853 UNTCQNVWZAWFDE-JOCHJYFZSA-N 442.604 4.816 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)s1 1760419519 UIHDJTAUFQNYLT-UHFFFAOYSA-N 427.574 4.607 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(NC(C)=O)cc1 1760457444 SDJCNIROJXYVNB-QGZVFWFLSA-N 449.624 4.955 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccsc1Br 1760460638 AHAMVOVCCUXTOZ-UHFFFAOYSA-N 428.359 4.921 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCc2cc(OC)ccc21 1760468640 BBYHAKXBWAFCHS-WWPVKYPJSA-N 438.616 4.948 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CCc1scnc1C 1760478019 RQFIHMQLASIPMB-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C 1760486686 WLWKYUWVWZJVEX-CVDCTZTESA-N 430.618 4.715 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CCCCC1)N(C)C 1760497800 SBYYQUKELVGMPE-DNVJHFABSA-N 443.680 4.886 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCOC1 1760498016 BLVCLCHVEYOADY-SFHVURJKSA-N 426.948 4.853 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC2(CCCC2)C1 1760512273 UTPLPMUBXXJAJN-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCC(F)(F)C2)C1 1760549811 NELJQBGAVRCLAH-PMACEKPBSA-N 446.542 4.691 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)c1cccs1 1760698331 GYPBSXOBGLVNIG-INIZCTEOSA-N 427.549 4.631 30 10 IJEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)SC1=Nc1nnc(C)s1 1772737097 KZCTTWWLIRDNLO-TUALIXKCSA-N 435.372 4.789 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@H](CCCC)C(=O)O)n2)ccn1 1857836298 MJRDXFLFZHRKQS-OAQYLSRUSA-N 431.540 4.926 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@@H](C(=O)O)[C@H](C)CC)n2)ccn1 1857836391 OPLYGHUCJKESIT-UZUQRXQVSA-N 431.540 4.781 30 10 IJEE Cc1cccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)c1C 1858840633 QKQJFPDZTVVCEC-QGZVFWFLSA-N 429.480 4.620 30 10 IJEE CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 1859486000 HROAKLRNBLLEPN-UHFFFAOYSA-N 441.409 4.881 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(CCc3ccccc3)[nH]c2c1 1860967057 ZLHDRTCKWQXNTB-HXUWFJFHSA-N 448.611 4.943 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862381800 BDKKGSIVIUVWQY-GOSISDBHSA-N 446.286 4.521 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)c1 1862486801 LLZFRVOOLKQXLY-XMMPIXPASA-N 437.499 4.958 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503201 SIKCOJMBAJHQNK-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1Br 1862540324 LDSRTKVSHHNITO-IBGZPJMESA-N 428.326 5.000 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2c(c1)OCCO2 1862549029 GQCQECOJAMCCMG-VOIUYBSRSA-N 447.531 4.713 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862572629 JYZURRVRTFGQES-QHCPKHFHSA-N 448.519 4.954 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 1862583696 IOJFKTNESBZGKL-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862601318 BIHPGIRLFNUQOR-OYHNWAKOSA-N 439.508 4.565 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1Cl 1862607555 RULWFNQYIZSACE-OAQYLSRUSA-N 441.911 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 1862607807 XPYKVJFWTJRKQA-OAQYLSRUSA-N 439.895 4.632 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862625437 GOZXPAKTNSSYLD-XMMPIXPASA-N 441.483 4.811 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862677432 BMPBLWPNJUXVQK-FQEVSTJZSA-N 443.446 4.986 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1C(=O)O)c1ccc(F)cc1 1862678578 OSBDHSAJTVVNFU-NRFANRHFSA-N 437.467 4.825 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1C 1862886469 LDBINJCKXPVLSI-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2ccccc2Cl)C1=O 1863443368 ONLXLMAXPHJCTO-UHFFFAOYSA-N 435.955 4.954 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(CC)cc1 1864756557 MIPAFCZSVBSJAI-OAQYLSRUSA-N 442.563 4.519 30 10 IJEE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(OCC#N)cc1 1865939523 ARMYGEIXRAMTEJ-UHFFFAOYSA-N 436.489 4.755 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@@H](CC(C)C)c1ccc(F)cc1 1868936791 YDVTYHDQYPCKKY-IFMALSPDSA-N 434.621 4.784 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(C)cc2C(C)(C)C)n(C(C)(C)C)n1 1870000034 CXTTUZBUUAIOMW-UHFFFAOYSA-N 439.604 4.835 30 10 IJEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CSc1nc2ccccc2s1 1870240389 PYPHKHIQJWAJKT-UHFFFAOYSA-N 444.578 4.658 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1CCCCCO 1870486315 AYIBBJAMGYGFBI-UHFFFAOYSA-N 446.591 4.917 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccccc4OC)c3C)C2=O)c1 1871370425 LCLRTLYLQQYAGT-UCQKPKSFSA-N 446.455 4.613 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871460027 RAJXYGQPSQIYFL-NHDPSOOVSA-N 448.406 4.676 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cc(C)ccc1C 1872104718 TVRYXCGHUGKUSX-JOCHJYFZSA-N 439.581 4.769 30 10 IJEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 1872776852 ZMSCLOJNCGQKNH-HXUWFJFHSA-N 443.528 4.796 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OCc1cccc(Cl)c1 1873500000 ZACMFIVJMOZJIK-NUGSKGIGSA-N 442.850 4.709 30 10 IJEE CCCOc1ccc(/C=N/n2c(COc3ccccc3)nnc2SC)cc1OCC 1874382479 RLFMYOKPJAVLAO-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874442302 YJOIQTODOSZERP-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(F)cc1F 1874478221 UVCVZPGACOGSJT-DHRITJCHSA-N 443.523 4.820 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(O)cc2)c1C 1874483139 GNYDABPIMOMURA-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2OC)cc1 1874493988 ORCARAPZKNUWHX-MFKUBSTISA-N 449.580 4.730 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccccc1Cl 1874521963 UYVUCICWHVLIDA-FSJBWODESA-N 427.961 4.724 30 10 IJEE Fc1ccc(COc2cccc(/C=N/n3c(S)nnc3Cc3ccccc3F)c2)cc1 1874561668 BVFIULUGFBJOME-VULFUBBASA-N 436.487 4.897 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(S)nnc1CCCOc1ccccc1C 1874567224 MBLAHJLEFDXQEO-PCLIKHOPSA-N 432.549 4.931 30 10 IJEE CC(C)Oc1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2Cl)cc1 1874568554 FHVCXFNUKZYTOD-OEAKJJBVSA-N 430.961 4.901 30 10 IJEE Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1Cc1ccc(Br)cc1 1874570444 UFESZIJSKDQDID-WSDLNYQXSA-N 439.338 4.661 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 1875135840 KDABSOOARARPKI-RMKNXTFCSA-N 432.432 4.812 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1879744658 YUJFDUZWMWUICE-FYSMJZIKSA-N 442.365 4.732 30 10 IJEE CN(CC1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1)c1ncccc1C#N 1891340248 NHZMGOXQPXFUEM-UHFFFAOYSA-N 426.520 4.734 30 10 IJEE CC[C@H](C#N)SC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307869 VWLSMXDEORJSFB-QVKFZJNVSA-N 438.549 4.792 30 10 IJEE C=C(CNC(=O)C[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 1892600932 SHBKSMZEKDQCAN-MRXNPFEDSA-N 444.381 4.831 30 10 IJEE CCCN[C@H](C#Cc1cccs1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1900748285 NKURCIOIGIYOIN-YADHBBJMSA-N 428.598 4.578 30 10 IJEE C=C(C(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922926229 IGAKENIGBMEALQ-MRXNPFEDSA-N 426.427 4.888 30 10 IJEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2020324652 OXTFDMQQFHXFER-MBSDFSHPSA-N 431.533 4.728 30 10 IJEE CCCCC#CC[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024377927 GBNSUGURHALPAX-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)c1cc(Br)c(C#N)cc1F 2118151744 UDYTVHKNONYRMO-BLLLJJGKSA-N 426.330 4.542 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2154841042 WHAYIDSMFSVVOW-RUZDIDTESA-N 448.460 4.779 30 10 IJEE O=C(NC[C@H](Nc1ccc([C@H](F)C(F)(F)F)cn1)C(F)(F)F)OCc1ccccc1 2199321599 YZCTXPZAUQLFCC-ZFWWWQNUSA-N 439.331 4.924 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](N)C#Cc1cccc(Cl)c1 2212467276 VBXMOXJDUKBLSL-YADHBBJMSA-N 428.960 4.519 30 10 IJEE CCCc1ccc(C#CC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223324694 PUZFLYRRKQSZBJ-DEOSSOPVSA-N 434.580 4.585 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2235717767 BPWDAFQQHUMKHP-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2235734548 XLWUDVASBUURAC-RAUXBKROSA-N 433.390 4.567 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1 2255823684 XNUYHELARAAONO-OAHLLOKOSA-N 430.354 4.837 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1sc(NC(=O)OC(C)(C)C)nc1C 2278808149 XZSLEGOJHDYMMW-HNNXBMFYSA-N 436.375 4.873 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2296230748 WPUOYJFMMKMNKO-ZCNNSNEGSA-N 435.406 4.670 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2296288141 CNOVSNQLONGXTP-LSTHTHJFSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)C1CCCC1 2296288850 LAXJJKGMMJWUOO-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C 2296295794 HHSYDFSEKCUFQS-PWIZWCRZSA-N 437.422 4.964 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(Cl)cc2)cc1 2297741833 UWHFKUQQWALXBX-SFHVURJKSA-N 440.908 4.822 30 10 IJEE N#Cc1cccc2c1N(C(=O)C1(NC(=O)OCC3c4ccccc4-c4ccccc43)CC1)CC2 2302869919 RAEMSOCPFCPNII-UHFFFAOYSA-N 449.510 4.519 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@H]34)CCC2)OC1(C)C 2312849632 KDVQYOCFQMNSBJ-WOZUAGRISA-N 425.378 4.503 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C(F)(F)F)c1OCc1cccc(Cl)c1 2321915056 PKKFPXUBSPMKGS-UHFFFAOYSA-N 442.850 4.709 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC(=O)Nc1ccccc1 2323044429 MGEOXSVCAORGMG-UHFFFAOYSA-N 432.432 4.517 30 10 IJEE Cc1cc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323595812 PQENJYAGWBTFLZ-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323907861 IOIFIDQFFXWTPG-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)C(=O)Nc1ccc(F)cc1 2324306756 NGYGICMXAPGTOH-CQSZACIVSA-N 448.406 4.756 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)cc2)c1 2324386027 SFPDMDOZWVOCAA-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(Cl)c1OCCO 2324588707 KAHYQIXFWZLDEU-UHFFFAOYSA-N 431.699 4.931 30 10 IJEE Cc1c(C(=O)Oc2cccc(C=CC(=O)c3ccccc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2325732933 GDWYHZCDOJCJMN-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccco1 2325918362 GNZQRRFXYFPXRL-XMMPIXPASA-N 440.584 4.983 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C=Cc1cccc(Cl)c1 2325951339 UYXVIVHPQJCQEU-UHFFFAOYSA-N 435.936 4.519 30 10 IJEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326379904 FPJUBJGAWRHQBO-UHFFFAOYSA-N 430.961 4.994 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(O)cc1O 2326542025 YSXMTOGXNGUSJJ-UHFFFAOYSA-N 432.933 4.614 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2)cc1 2330676909 QSGBUVAZNRKXHX-UHFFFAOYSA-N 433.581 4.677 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2F)nc2ccccc12 2331084404 RAIOARRQJCYKBA-UHFFFAOYSA-N 448.527 4.898 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1N=Cc1c(F)cccc1Cl 2331092502 KMAWBSQGABOUML-UHFFFAOYSA-N 438.956 4.902 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(F)(F)F)c1 2331108725 DDBZGHPDVWWZGK-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(F)(F)F)cc1 2331122982 NEQDEIGHDCTPMH-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE COCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2331245828 YHAPWTWKBPCKEG-UHFFFAOYSA-N 449.349 4.543 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCC(=O)Nc1ccc(F)cc1 2331436434 UYUICLJZYQRJRX-UHFFFAOYSA-N 431.562 4.599 30 10 IJEE CCCc1nnc(SCCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331652878 ULQDQNXOYWUEIP-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C(C)C)c1 2331673734 ZTPPNQONGWWKLR-UHFFFAOYSA-N 437.569 4.803 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)C)c1 2331673745 AUCMKCFOXJADGD-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CN(C[C@H]1CCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339592865 XICKNYYCUNJVCD-JKIKYLSZSA-N 443.397 4.562 30 10 IJEE N[C@H](C#C[C@H]1CC1(F)F)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341044064 AVJKSYBYCASJAR-PPJWLVRDSA-N 449.497 4.864 30 10 IJEE CSC1(C#C[C@H](OCCCN)c2scc(Br)c2Br)CC1 2361289317 YQFWLNOWLYKJGJ-NSHDSACASA-N 439.238 4.579 30 10 IJEE Cc1cc(CN(C)[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369726844 IGBWXEMMSGCLIA-DEOSSOPVSA-N 448.460 4.779 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)SC1=S 2938293 NEAFYMWJMKNGLR-LDADJPATSA-N 445.949 4.955 30 10 IJEE COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)c1 9731791 QNBIIGMJTRMEBF-JOCHJYFZSA-N 448.498 4.760 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)S/C(=C/c2ccc3c(c2)OCO3)C1=O 36258309 GZIKUIHUBBAJNJ-LICLKQGHSA-N 429.881 4.612 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 41653382 UMBSKPZKBZSRJE-OYKKKHCWSA-N 431.463 4.845 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1 65034319 CLEVSJNAFYJXNM-UHFFFAOYSA-N 440.425 4.860 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)cc(Cl)c1 100263015 VFUFUAWFMAWZAZ-VGLIXDPASA-N 426.300 4.723 30 10 IJEE CCCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1Cl 169906339 BUEXXMPMZWDIIL-WSDLNYQXSA-N 445.368 4.882 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCC(C)C)cc1 169990259 GCBKDAONHWPTKO-QHCPKHFHSA-N 437.536 4.563 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 170027591 RACUTKYTMQQNHH-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)cc1Cl 170166222 KCGOYHKVCYDZPE-IBGZPJMESA-N 449.956 4.804 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(Cl)cc2C)C(=O)N(c2ccc(C#N)cc2)C1=O 170166924 BWDBJXIQVNSUCG-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)ccc1Cl 170184707 XEIOBFBVBSQKDU-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(F)cc1 170241907 IWSNEOPRAJIENR-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2)cc1 170265529 CVIBYEFPLYOMQO-QHCPKHFHSA-N 427.456 4.761 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)c(OC)cc1Cl 170286221 VRQWDGGMOCQHIT-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(O)cc1)c1ccccc1 170338744 SGJDPWBBBPMMHP-DEOSSOPVSA-N 440.499 4.775 30 10 IJEE C=CCCc1ccccc1NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 410360945 SZDWJZDUXGDLJX-UHFFFAOYSA-N 436.371 4.760 30 10 IJEE C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1 434972564 HYYBNQZAXRXTKB-MRXNPFEDSA-N 432.499 4.737 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)COc2ccc(Cl)c(Cl)c2)c1C#N 445571854 PDPYZUGHVSKXRY-UHFFFAOYSA-N 433.320 4.790 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460560129 NQTUCTDQCOWVGB-HXUWFJFHSA-N 428.895 4.597 30 10 IJEE COc1cccc(-c2ccc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)c1 466130157 OJNFOOGEYZGRIZ-UHFFFAOYSA-N 441.531 4.987 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1 476787614 KPZVYAGMRACOPM-UHFFFAOYSA-N 430.570 4.706 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)ccc2O)ccc1O 526708393 OFPGQGVFSDXBLZ-HSZRJFAPSA-N 445.471 4.588 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC)c(O)c1Cl 526809986 SOOOJFQVSBUAAU-KSEXSDGBSA-N 430.961 4.999 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 549545321 RXPNFTSYPHVEPM-IBGZPJMESA-N 433.531 4.930 30 10 IJEE C=C(C)Cn1c(N2CCO[C@@H](c3cccs3)C2)nnc1C(F)(F)Oc1ccccc1 549690793 INYJAAUPNPOEIF-QGZVFWFLSA-N 432.496 4.622 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 578402623 CNPRWCJPEWQSOZ-NRFANRHFSA-N 427.508 4.537 30 10 IJEE C=CCCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cccc(Cl)c1 586167061 VHWXKSPXGCSPMM-UHFFFAOYSA-N 437.989 4.947 30 10 IJEE C=C(COCC)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686830791 IMZMHBXUHBXZDR-QHCPKHFHSA-N 445.648 4.507 30 10 IJEE C=C(Br)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 726163232 VFNSKROFJOMNEI-GIVPXCGWSA-N 441.369 4.638 30 10 IJEE Cc1cccc(S(=O)(=O)N(Cc2cc(Cl)ccc2OCC#N)c2ccccc2)c1 735303528 UHPARXABBSPQCD-UHFFFAOYSA-N 426.925 4.946 30 10 IJEE COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)SCc2cc(Cl)ccc2OCC#N)c1 735317821 GFLXJXLXUZNXOG-GJZGRUSLSA-N 448.972 4.759 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)ccc1OC 741187516 FKMMUIQNPSKMHA-NJAFHUGGSA-N 448.441 4.695 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CC[C@H]2C)ccc1Cl 743799243 TWYKUTPYXJKQQM-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)ccc1Cl 745238471 GNAUZGSNYOYYDE-IAGOWNOFSA-N 432.854 4.520 30 10 IJEE N#Cc1cccc(C(=O)COC(=O)c2cc(Oc3cccc(Br)c3)ccn2)c1 748305673 GMDIOSGABPBMHK-UHFFFAOYSA-N 437.249 4.548 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1cccc(C(=O)OC)c1 759039675 JGTXREVJBRXKLA-UHFFFAOYSA-O 444.536 4.518 30 10 IJEE N#Cc1cc(F)ccc1COC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 767506089 LZTQXMWPBSPJGW-UHFFFAOYSA-N 440.500 4.890 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 802562904 CGXISFRUEJTESX-UHFFFAOYSA-N 438.522 4.520 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 805782397 KLMLFZOIVRECQJ-YKSBVNFPSA-N 425.532 4.934 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C 916216621 XTJVUTVROZSDKQ-OAQYLSRUSA-N 437.565 4.930 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(OCc4ccc(Cl)cc4)c3)cc2C1=O 1126200787 YXIAXHUDZCXMGP-UHFFFAOYSA-N 446.890 4.953 30 10 IJEE CCO[C@@H]1C[C@H](N(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C12CCCCC2 1126659642 BNHNIJPUNFXQHC-XZOQPEGZSA-N 427.564 4.500 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc1Cl 1128598094 LARRQEWTIRXOPQ-KBPBESRZSA-N 433.401 4.641 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)s1 1128933959 LMQZFCGETIPJGI-IUODEOHRSA-N 425.834 4.881 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1OC 1134187186 NTMBDDAQQNBLMM-QSUDNNBSSA-N 441.499 4.612 30 10 IJEE CCOC(=O)Cc1cccc(N(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 1134870071 DIDADRFBNDTSHW-UHFFFAOYSA-N 432.451 4.872 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 1136493680 JYSZANZKVUVHBL-RTWAWAEBSA-N 434.552 4.583 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)C(=O)OCC 1140929399 HXYAKHQTICEOSM-NRFANRHFSA-N 434.540 4.615 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 1148991716 MATYSXPGQRTIHX-BZSNNMDCSA-N 445.387 4.550 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC2CCCC2)C(C)C)nc2sc3c(c2c1=O)CCCC3 1164599113 ISIKIFBAEAKWBG-IBGZPJMESA-N 445.654 4.698 30 10 IJEE CCCn1c(SCc2ccc(F)c(C#N)c2)nc2ccc(Br)cc2c1=O 1164606360 FNLLGKKWTLFGIB-UHFFFAOYSA-N 432.318 4.872 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](Cc3ccccc3)C2)n(Cc2ccccc2)c1C 1167331967 DTADJRVFQDSZIZ-VWLOTQADSA-N 440.591 4.918 30 10 IJEE C#CCN(C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CCN(C)CC1 1178739987 UXYDNLHFWFYCNW-XMMPIXPASA-N 427.013 4.719 30 10 IJEE C=CCn1c(SC[C@H]2CN(c3ccccc3)CCO2)nnc1-c1ccc(Cl)cc1 1188114418 GZYZQJVRMQLBJW-HXUWFJFHSA-N 426.973 4.782 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC)c1ccccc1 1213548778 NXUKKBHZUBLTIB-SFHVURJKSA-N 441.471 4.868 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccccc1 1224386927 GMBLIVYKHMBIEY-DHIUTWEWSA-N 435.568 4.879 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccc(Br)cc1 1230498965 OIKWFUIHNDLPRJ-ICSRJNTNSA-N 431.305 4.516 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1OC 1264388670 ZREGTPJQPWGRPY-UKTHLTGXSA-N 426.476 4.646 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@](C)(OC)CC1 1286339390 KXUOZLMQDPWYCS-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1Cc1cccs1 1286343762 CGDCOPNUBFYPLM-GOSISDBHSA-N 436.581 4.649 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1286349188 UNOMCWUYUNKTBG-PZJWPPBQSA-N 433.556 4.655 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286356950 OYLLBLBIRLVAIJ-XZOQPEGZSA-N 436.600 4.716 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C2CCCC2)CC1 1286598697 ZHTSFNSUTTUFRN-UHFFFAOYSA-N 425.646 4.910 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1286600014 HBTXZPXJZVSKON-CNNODRBYSA-N 428.552 4.919 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C(C)C 1286626599 BQBVTWSBRBJZNV-LJQANCHMSA-N 440.979 4.613 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2CN(C)C(C)C)CC1 1286661671 JZHOLQWNJXPHGN-UHFFFAOYSA-N 430.600 4.631 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1286664167 QYRIMTAEZIIJOH-FQEVSTJZSA-N 444.023 4.645 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc2cnccc2c1 1286690760 OWQSOAHAOWWKKJ-UHFFFAOYSA-N 429.572 4.681 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286696113 UIWYQWIDTIBFHH-KRWDZBQOSA-N 442.926 4.542 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCN1CCC 1286719611 ABJLDFUQZUGXKI-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1286746272 ULSHDBDCCZGTEO-FQEVSTJZSA-N 435.538 4.553 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286767659 XUPSLOUBPPNMEG-QZTJIDSGSA-N 438.494 4.886 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCSC(CC)(CC)C1 1286826871 WBIITQIJIHAHAL-UHFFFAOYSA-N 432.659 4.985 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C#N)c1)c1cccnc1 1287154697 AQTBKOIMTLSEDP-QFIPXVFZSA-N 425.540 4.616 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1c(C)noc1C 1289154753 CTSHKXFXIDOYNY-CQSZACIVSA-N 447.568 4.626 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nc(C)c(C)s1 1300284153 PRDJZMQIFDOBLH-KGLIPLIRSA-N 425.627 4.711 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC(F)(F)F 1300608709 CYWIOHZQAOWNNC-UHFFFAOYSA-N 445.283 4.518 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cccs1 1300654180 VJLYDODWNJTOJF-UHFFFAOYSA-N 445.592 4.548 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1300830353 UUNALBDEOQDEIP-DOTOQJQBSA-N 446.349 4.778 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C)[C@@H](C)C1 1300833709 AXOXHJWPFGMOLE-GJZGRUSLSA-N 426.362 4.884 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(C)C)CC1 1300851120 MCUQLPNYEBOQSK-UHFFFAOYSA-N 439.348 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1300897462 RQSZVQADSNXABU-ZRXZBVFWSA-N 442.579 4.992 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1301036518 GFCZPOUKNYWGQX-QHAWAJNXSA-N 430.980 4.876 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)COC)CC1 1301113722 CXPOBBOCDBACAC-CQSZACIVSA-N 437.357 4.532 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CC=CCC1)c1ccccc1 1301166290 SWMBTRXIAVTJIG-JTHBVZDNSA-N 433.600 4.553 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1301194281 GYFYWKGQBMWMMQ-HSZRJFAPSA-N 434.588 4.846 30 10 IJEE COCCC1(Cn2c(-c3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1301471461 HENSGXAUZRPKAA-QHCPKHFHSA-N 429.515 4.513 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN([C@H](C)c3cccc(OC)c3)CC2)cc1OC 1308586329 YJSDVYPGKUKXNG-GOSISDBHSA-N 430.976 4.801 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c1 1309435841 CPAMFDUHZQCNHS-UHFFFAOYSA-N 446.153 4.595 30 10 IJEE C[C@]1(Cc2ccccc2F)CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1309619280 BHRLZXRZEAUQQL-LJQANCHMSA-N 426.435 4.502 30 10 IJEE Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1N1CCNC1=O 1354089838 HMINYJYIPBTFJY-MRXNPFEDSA-N 436.581 4.861 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cc(Cl)ccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1354339299 PGERVXGQPXAYIW-NRFANRHFSA-N 444.906 4.903 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)c1ncc(C)s1 1358874504 XXHDAKSXDJUIQL-HLLBOEOZSA-N 427.549 4.584 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccc(Cl)s1 1358944024 DZBYXYCRALPLDP-UHFFFAOYSA-N 430.961 4.575 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 1359048171 HTECDAPYDHCHCI-UHFFFAOYSA-N 444.004 4.947 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(C)(F)F 1359116399 JNSPVHRRIATKNY-INIZCTEOSA-N 427.540 4.798 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1359162152 FYNRNUDONBDARZ-FPOVZHCZSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1359184843 CCYOTWKMTHCHKC-LJQANCHMSA-N 443.039 4.908 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)c1cccc(C)c1 1359203510 QHTUUZYYBISUQM-UHFFFAOYSA-N 431.588 4.885 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](C)CC)ccc1Cl 1360515334 BXTBDLYJGIVKAC-IRXDYDNUSA-N 434.989 4.886 30 10 IJEE C#CCN(C(=O)COC[C@@H](C)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1360556826 DWORYNSERLXAOQ-UTKZUKDTSA-N 442.353 4.555 30 10 IJEE C=CCn1c(SCC(=O)N2CCS[C@H]3CCCC[C@@H]32)nnc1-c1ccc(Cl)cc1 1361179228 PXFIXBZZTDWSNM-ROUUACIJSA-N 449.045 4.763 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2Cc3cc(Br)ccc3O2)C(F)(F)F)cc1 1436240415 URMNDZRAHZVIRA-IAGOWNOFSA-N 425.200 4.581 30 10 IJEE C=CCc1cc(CNC(=O)c2c(Cl)cc(F)cc2Br)cc(OC)c1OC 1442514167 DOQLQKPBJQVDBR-UHFFFAOYSA-N 442.712 4.917 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(OC)CCC(c2ccccc2)CC1 1449128427 QYNPYEARQALFFT-UHFFFAOYSA-N 445.563 4.910 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)c1ccc(Cl)cc1F 1449318748 OOLUDWNZODHVTG-INIZCTEOSA-N 437.780 4.872 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)[C@@H](Sc3ccccc3F)c3ccccc3)n2)cc1 1457027249 COTGRCVOIVATKJ-QFIPXVFZSA-N 443.507 4.809 30 10 IJEE C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(SC(F)(F)F)cc1 1458251088 HDNOLCXMCIYKMJ-CZUORRHYSA-N 434.439 4.827 30 10 IJEE C#CCN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@H]1CCCc2ccccc21 1463020367 SNRBYAXNDVVWCY-BJKOFHAPSA-N 432.564 4.867 30 10 IJEE COCC[C@@H](NC(=O)Nc1cc(OC)c(C#N)cc1F)c1ccc(Cl)c(Cl)c1 1467075814 GVMAMCGXPMMCLA-MRXNPFEDSA-N 426.275 4.912 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)NCc2cccc(Oc3ccccc3)c2)CC1 1467785973 GTVYHPKPIZWRTE-UHFFFAOYSA-N 426.520 4.819 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1ccccc1 1473453240 DLQKMNTUDWALPL-HSZRJFAPSA-N 431.923 4.746 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)c1ccc(Cl)cc1 1475366444 XYGMDGZQTDDUIG-OAQYLSRUSA-N 429.900 4.711 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1Cc2cc(OC)ccc2C[C@@H]1C1CCCCC1 1477916016 RBDOWMGTLMCRII-RUZDIDTESA-N 432.564 4.924 30 10 IJEE C#C[C@H](NC(=O)NCC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1478235723 LVIJMGQATDVVRP-BOCKYXSRSA-N 427.951 4.753 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1)c1ccc(F)cc1 1478894276 WNSYXHYFZCKZCC-JOCHJYFZSA-N 444.510 4.555 30 10 IJEE Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCCC2)s1 1492659974 GGHAGTKWIQQQTM-UHFFFAOYSA-N 436.585 4.621 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)Cc2cccs2)C[C@@H](C)O1 1499696259 GJYIIOIMJGDUMV-DBXWQHBBSA-N 435.597 4.761 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1507594238 NGADMIPKQJDBEC-UHFFFAOYSA-N 426.992 4.566 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(C(C)(C)O)c1 1507606413 KWWFXZIEJKJGAZ-UHFFFAOYSA-N 434.609 4.621 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1C[C@H](C)O[C@@H](C)C1 1507681856 DIYONWFWDWKZJV-ROUUACIJSA-N 426.630 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(C)C 1507761194 KQIHEPNLVMMYJE-OAQYLSRUSA-N 432.410 4.720 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1507837917 HUZWKTGEGRRZJM-HSZRJFAPSA-N 448.995 4.595 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1507838274 OPIGXMUDWJDEQZ-JOCHJYFZSA-N 449.020 4.533 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOC2CCOCC2)CC1 1507896523 HGMBDNDVTGAFFE-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC2(CCC2)C1 1507911617 NKSJIYMSKBQFSY-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCSC1 1507938077 XWENVHXACGPCGG-MSOLQXFVSA-N 435.638 4.648 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(COc2cc(C)cc(C)c2)n1CC(F)(F)F 1508035591 AKHKXCZVUMMLHK-UHFFFAOYSA-N 434.462 4.864 30 10 IJEE C=CCN(C(=O)c1cc(Cl)nc(C(C)(C)C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1522167323 RLWYKXHSNWGMKW-IBGZPJMESA-N 428.960 4.835 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCc3c2ccc(F)c3Br)cc1OC 1526248596 GQGIFZHSFMKXBS-YYLWEKDPSA-N 446.316 4.979 30 10 IJEE C#C[C@H](NC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)c1ccc(Br)cc1 1528087908 IZPUUMOVTQIWBS-IRXDYDNUSA-N 426.232 4.646 30 10 IJEE C#CCOc1cccc(OC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)c1 1528715106 HCFGFONQZJXQIX-UHFFFAOYSA-N 427.287 4.899 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](C)CSc2ccccc2OC)CCCN1C(=O)OC(C)(C)C 1530576245 WGXAGPWXZHTUSL-HOYKHHGWSA-N 448.629 4.885 30 10 IJEE C#CC[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1530735028 LJVXTVXELJPWBS-NUTRWHQKSA-N 440.543 4.888 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1 1536405215 CYWLCQYIOBENAP-IBGZPJMESA-N 448.548 4.929 30 10 IJEE C=CCCC[C@@H](C(=O)NCCOc1ccc(I)cc1)c1ccccc1 1538160138 IEFLJZJNTQSHCQ-HXUWFJFHSA-N 449.332 4.926 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc2c(n1)CCCC2 1538970594 CUPKKCPZOHLVBP-FPOVZHCZSA-N 443.595 4.815 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cc(C(C)(C)C)no1 1539247332 YXULNDDTXUQUET-UHFFFAOYSA-N 429.568 4.649 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ccc(C)nc2)CC1 1539882849 ZLPIQWBPEXKHHT-UHFFFAOYSA-N 447.583 4.895 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2cccc(F)c2[C@@H]1C 1539947116 IVBCRYKNEMZRNE-KRWDZBQOSA-N 427.568 4.816 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1539975321 RMLQVULDUBWURB-PGRDOPGGSA-N 445.558 4.647 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCN1CCCC)C1CC1 1540102083 SAYIUDRUUFKOFR-FQEVSTJZSA-N 429.012 4.803 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1Cc1nc(C)cs1 1540128276 KJNSENKPYNIMAU-UHFFFAOYSA-N 446.605 4.808 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1CCCCO1 1540137993 XVGSGUPOMWKINY-YADHBBJMSA-N 442.579 4.853 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC[C@@H](C2CCC2)C1 1540859461 FRDQOZGYWZBQBB-FQEVSTJZSA-N 445.007 4.690 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1540919942 JDINFDYIGGJIHG-UXHICEINSA-N 449.020 4.578 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1543411403 CMMRLVZKCGKLHD-FQEVSTJZSA-N 444.881 4.768 30 10 IJEE O=C(N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1)C(F)(F)c1c(F)cccc1F 1558301303 DYDXCOOFAQOFSA-UHFFFAOYSA-N 436.327 4.540 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2cc(Br)c(C#N)cc2F)CC1 1559100711 FTROBHFUWVMURD-GFCCVEGCSA-N 426.330 4.589 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1563323066 UQNFEVQSKMKJHY-HNNXBMFYSA-N 426.314 4.579 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CCCC1 1564207146 TYYNDNHHUAQYJU-OAQYLSRUSA-N 448.535 4.646 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1565003973 GKYYGECYYAHCFM-UHFFFAOYSA-N 428.989 4.635 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1565063564 PKZQIRSKXOERTJ-DOTOQJQBSA-N 440.466 4.580 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1583579988 WRDGIEONOHCWSU-UYAOXDASSA-N 430.907 4.578 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3c(C)c4cc(Br)ccc4oc3=O)cc2n1 1585155870 RMCLTBCVPKHSPW-UHFFFAOYSA-N 438.281 4.652 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(SCCOC)cc1 1585662245 XQVGGMLLZDZGPL-MAUKXSAKSA-N 443.009 4.638 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nc(CCC)n(-c3ccccc3F)n2)C(F)(F)F)cc1 1587315408 MVUWSUKBRSWBGY-LJQANCHMSA-N 431.389 4.801 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2c(CCCC)oc3ccccc23)c1 1587387262 SQCHBMOZQUGGIA-UHFFFAOYSA-N 440.565 4.512 30 10 IJEE C=CC(=O)Nc1cc(NC(=O)Cc2sc(SCC(=C)Cl)nc2C)ccc1F 1587597593 JCDZWOKIUQVKEI-UHFFFAOYSA-N 425.938 4.741 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C)C1 1587719277 YDAABOKVTLXBQS-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](c2ccco2)C1 1588984215 GQHCFSBLQSJXLK-MSOLQXFVSA-N 440.544 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3ccccc3o2)n1CC[C@H](OC)C(F)(F)F 1589171799 SVJYIOLSLWORFP-GHTZIAJQSA-N 432.446 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3ccccc3o2)n1CCSCC(F)(F)F 1589172117 ZDMBUWUTFWUOSL-HXUWFJFHSA-N 434.487 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1Cc1nc(C(F)(F)F)cs1 1589192334 PHZNWPGGXBQCKL-HXUWFJFHSA-N 431.487 4.769 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C)(COC)CC1 1589514163 DJUGJTAHPUGSPO-WIYYLYMNSA-N 445.007 4.833 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCSC(C)(C)C1 1589731775 WMVHMTTTXCUQGY-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1593817494 DMGLOSARNZAUDG-FUHWJXTLSA-N 434.943 4.563 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCOc2ccc(Cl)cn2)CC1 1594247118 HGJHGJOZOXUMJQ-UHFFFAOYSA-N 441.938 4.538 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1595062518 TXKGETJDGSHCBO-UHFFFAOYSA-N 425.577 4.965 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@@H](F)C1 1595120467 ULHWHAIMSSFRRQ-VQTJNVASSA-N 425.577 4.965 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(CCC)C1 1595150012 ZYLBLCKSVDKTTI-NRFANRHFSA-N 446.624 4.803 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1595165525 JJBXGWPHXGPQIL-OTNCWRBYSA-N 446.643 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1nc2c(s1)C[C@H](C)CC2 1595222487 BKGGREZGFUOLTJ-GOSISDBHSA-N 433.625 4.985 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(C)(C)C)C[C@H](C(F)(F)F)O1 1612916421 AJNYGMKFWIVRFR-MAUKXSAKSA-N 435.494 4.799 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nc2ccccc2c1=O 1613240927 IFBIGFBRVQJYOV-KRWDZBQOSA-N 435.332 4.896 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 1615366155 DKQRTMBENZEQES-KRWDZBQOSA-N 435.524 4.602 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCCC2(F)F)C1 1620347802 CUJVOPLKKZIZND-UGKGYDQZSA-N 431.506 4.721 30 10 IJEE O=C(N[C@H](CCO)c1ccccc1F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1623899908 GUYUZKHVTOHXPY-HZPDHXFCSA-N 438.343 4.871 30 10 IJEE C=C(Cl)C[C@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)C(=O)OCC 1624252190 SQVGJLLBYJEKCF-FQEVSTJZSA-N 436.335 4.652 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C)cc(I)c1)c1ccc(Cl)cc1F 1624546654 SQSHTSMQKZGKEV-MRXNPFEDSA-N 442.659 4.888 30 10 IJEE CCC(CC)[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)N1CCOCC1 1624788591 BLXQNFMMJMNJCE-HSZRJFAPSA-N 437.609 4.576 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3F)n[nH]2)c1C 1628285690 RQCJXEGWTIJPBW-QFIPXVFZSA-N 443.526 4.929 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)C(C)C 1628517020 HWSMAZVQTCUNLR-KRWDZBQOSA-N 444.567 4.750 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC#CC 1632873221 WKHXIXWVFOMJLY-QHCPKHFHSA-N 436.939 4.566 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2)C(=O)OC 1637697840 YCRMZUAWFJTINL-QYRZDNMNSA-N 444.918 4.670 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)CC1 1638135101 WOHNFGLRLPVRBT-COLUHYSYSA-N 434.580 4.563 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccco1)c1ccccc1OC 1638272878 GUFCXHMZQTYSGQ-WIYYLYMNSA-N 428.529 4.743 30 10 IJEE C=CCNc1ncc(C(=O)N2C[C@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)s1 1638324269 LLNAHTFTASASBA-MRXNPFEDSA-N 427.570 4.682 30 10 IJEE C[C@@H]1CN(c2ccnc(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)c2)C[C@@H](C)O1 1640748613 BLKQHURKKDSJFC-QZTJIDSGSA-N 444.560 4.970 30 10 IJEE COCc1ccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)cc1 1640954552 CNNWCZBSAPXVMF-UHFFFAOYSA-N 435.549 4.852 30 10 IJEE C#CCN(c1cc(O[C@H](C)CC)nc(C)n1)[C@H]1CCOc2ccc(Br)cc21 1650757710 ZHNVMJBOKVLPFP-KDOFPFPSSA-N 430.346 4.688 30 10 IJEE C#CCN(Cc1ccc(F)cc1)Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 1651831534 UOBHHEVNAFEBCX-UHFFFAOYSA-N 426.532 4.612 30 10 IJEE CCOc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)c2ccccc2)cc1 1653599430 GDILJIUALXHMPD-QFIPXVFZSA-N 426.925 4.678 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCSCC2)cc1C)c1ccc(Br)cc1 1658759187 VJCYDLYPMBPNKP-LJQANCHMSA-N 444.398 4.807 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C 1662338141 HOEFBHPOPZUEJP-KOSHJBKYSA-N 434.536 4.773 30 10 IJEE CC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1cc(F)cc(Br)c1 1663440881 HTFPPINQOHWDRE-HNNXBMFYSA-N 431.714 4.543 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1667060928 IKXXGJVRZMDWBQ-NTLWEQJWSA-N 433.618 4.513 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccc(Br)cc1 1667211576 FWQCWJJGOSMFHI-GOSISDBHSA-N 428.330 4.848 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1667740664 SRTWBJACZIFWBJ-LJQANCHMSA-N 443.569 4.767 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)COCc1ccccc1 1670841034 FISPRTIUNPEXCW-INIZCTEOSA-N 433.346 4.988 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)[C@@H](C)CCO 1672210015 OKBTUQUVJXQIDV-INIZCTEOSA-N 433.346 4.819 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C 1672210213 RXLQOWPCRHYONM-APWZRJJASA-N 444.373 4.798 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1672456146 QTEZBLGBUAVQQO-OYRHEFFESA-N 425.554 4.617 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)c1 1674262727 BCLQBAJWTDLMLB-PIPMEXSNSA-N 429.524 4.998 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(I)cc1OC 1677889368 AEQHXTSXYDZJJW-UHFFFAOYSA-N 440.256 4.659 30 10 IJEE Cc1ccccc1[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCC[C@@H](C)C1 1678610210 CPLZNBKDMWHLLL-RZTXVSJASA-N 431.584 4.661 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1 1682560315 IBGIZTCEBSTMJR-JOCHJYFZSA-N 426.582 4.947 30 10 IJEE C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)(C)C)nc1C2)c1ccc(Cl)cc1F 1683516831 JWUNDPKUNGMHHD-DCPHZVHLSA-N 426.923 4.712 30 10 IJEE C=CC[C@H](NC(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccncc1 1684647871 AJOQOQYSSBIFSR-YADARESESA-N 430.593 4.671 30 10 IJEE C#CCN(C(=O)NCc1nccn1CCCc1ccccc1)[C@H]1CCCc2ccccc21 1685371138 ZUTAQGYAFMGORR-VWLOTQADSA-N 426.564 4.738 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1 1689894892 BCPGVXVYXZVRBC-GOSISDBHSA-N 434.481 4.822 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1690260484 MNPLJSULXBHVEO-VXKWHMMOSA-N 434.632 4.977 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCCN2CC)CC1 1690404896 WZXYAWUICCUSRP-FQEVSTJZSA-N 444.023 4.884 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690455621 LYLSGNWJGHKHDS-PKTZIBPZSA-N 438.616 4.983 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690462905 QXLZBXPNKALZOE-UHFFFAOYSA-N 427.568 4.766 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1690477098 ZPZLIZDWVSHOSH-IBGZPJMESA-N 429.996 4.696 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690519593 PAZVRLLASYXBIE-CQSZACIVSA-N 437.947 4.615 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1690537969 YVHUEWUSBLDCEJ-ZWOKBUDYSA-N 430.980 4.777 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC(C)CC1 1690565093 ACPZKIQTDIPIQH-UPVQGACJSA-N 437.632 4.833 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(COC)c1 1690578116 QWBVUFXBFMRPCX-QFIPXVFZSA-N 438.597 4.969 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCSC2)C1 1690683277 GKCSFILSQGDEAV-XMMPIXPASA-N 426.630 4.813 30 10 IJEE Cc1ccc(OC(F)F)c(Cn2c(-c3ccc(C)o3)nnc2N(CCC#N)CC2CC2)c1 1693126172 FZAKTSNPHGOZFT-UHFFFAOYSA-N 441.482 4.935 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)c1cccc(C)c1 1705510957 CYWALFSYLZHYRC-UHFFFAOYSA-N 426.362 4.926 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1ccncc1 1705671534 NMAQTHMQSFTKCL-HHHXNRCGSA-N 443.595 5.000 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@H](COC)C1 1705697736 XMTNFFHBQRGCLS-DWLFOUALSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1705701744 CTYWUEPSPVNTAA-QRWLVFNGSA-N 449.382 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCCC[C@@H](SC)C1 1705701747 IGTWTKVKGVEENQ-ZDXQCDESSA-N 440.657 4.880 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1705765944 IFHDRYDGTAKKNA-NZQKXSOJSA-N 440.588 4.570 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OCC)CC1)c1ccccc1 1705796557 HBQPJVNZTSSNOJ-JOCHJYFZSA-N 437.588 4.574 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1705851287 AOUBTRIDZMQQCA-HZPDHXFCSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C(C)C)C1 1705859183 KOWJTABRDHVONU-QHCPKHFHSA-N 430.600 4.653 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cnc(C)s1 1705882488 YLTIHFALLJTJNH-HNNXBMFYSA-N 443.642 4.583 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(C)C)C1 1705941393 IXGPDDNFBQTAOG-LJQANCHMSA-N 430.618 4.754 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CCCS1 1706927799 CDQYOWAUTQJRNN-PDIWNELESA-N 443.592 4.973 30 10 IJEE CCC(C)(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C#N)C1 1708303433 CHWADNXJCKDHCT-HKUYNNGSSA-N 445.995 4.853 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2C)C1 1710935056 AQLPRQMHDVFBIH-KVJIRVJXSA-N 439.629 4.600 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnc(C)s1 1722309947 FTOKHWSGOXNBSK-UHFFFAOYSA-N 431.569 4.540 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722312713 IRSHNOPNWPLXNU-AREMUKBSSA-N 433.600 4.882 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2cccs2)CC1 1722314350 LAZGVOPZBKLKHU-UHFFFAOYSA-N 433.625 4.695 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](CN(CC)CC)C1 1722325758 OFULYYUDDCUQCC-PMACEKPBSA-N 439.673 4.713 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCCC1(C)C 1722478964 DFFHEDNCRARXFE-UHFFFAOYSA-N 440.183 4.995 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1722517482 KRKSOMIKORDOTB-UHFFFAOYSA-N 431.625 4.717 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1722528425 IKUIBKXWWNAYSH-IBGZPJMESA-N 426.517 4.520 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cnn(CC)c2)CC1 1722568156 CWXLXCXGSKNDJE-UHFFFAOYSA-N 434.588 4.710 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C 1722659086 OHZTYCQTCSPBOA-HOKHCIIBSA-N 442.579 4.867 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(C)CCCS1 1722957819 BALZUKYCLGOMTC-GBXCKJPGSA-N 439.629 4.602 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1728072276 ACYFKKQOSQNYDC-IMSXRSKXSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nc(C)c(C)s1 1740533498 BTTMAUOALXMPKT-LPHOPBHVSA-N 437.613 4.809 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCOC1CCCC1 1740535651 SSQBILBUYJFKSG-QZTJIDSGSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC(C)(C)C1 1740590253 KHCONTLMYTXMPF-VQTJNVASSA-N 443.636 4.678 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1740665252 VGMYBMOJHBMCCG-GBXCKJPGSA-N 446.551 4.558 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740709445 NOGWTICHLSBNTR-UFYCRDLUSA-N 442.604 4.940 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1Cc1cccs1 1740720191 RKLVAQGDDMCELV-OAQYLSRUSA-N 436.650 4.703 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1740721859 WDUCFNIXTAIQRX-RTBURBONSA-N 426.630 4.756 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1 1740754286 DGZFVIFQWDKYHH-YLJYHZDGSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CCC1 1740765975 FHWKXCZQDAGMBP-GCJKJVERSA-N 430.980 4.728 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(C)CCCO2)CC1 1740833369 OLBIEJRPYDOCIB-DFBJGRDBSA-N 440.588 4.788 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740843169 AGWPGATVAGTMPU-GIVPXCGWSA-N 426.605 4.844 30 10 IJEE C=CCN(c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)N(C)C)C1CC1 1740906966 NJYQWVSPCIURGG-MRXNPFEDSA-N 425.577 4.918 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CC2CCN(Cc3cccs3)CC2)C1 1740972254 FURXVDGMAUPDHY-FPOVZHCZSA-N 443.661 4.547 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(N(C)C)CCCCC1 1741798291 AIGMYAXRHWDJOW-LJQANCHMSA-N 447.587 4.603 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C 1749027401 XTFNKRZAUHWURD-RTBURBONSA-N 442.629 4.734 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCc2sccc2[C@@H]1CC 1749028519 AIUTUVFWCFTEKQ-IBGZPJMESA-N 438.622 4.895 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(C)C)C1 1749043616 JSCDAUGYEZCBHU-NRFANRHFSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)CCC 1749059137 XBZYGHWZCCNIPN-VEYWIMSWSA-N 426.630 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nnc1C(C)(C)C 1749139974 KGRBJWVOWAELGT-NRSPTQNISA-N 445.007 4.788 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1749281916 ORJVWVBCAKSZOP-UHFFFAOYSA-N 449.020 4.753 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(C)CCCO2)CC1 1749347080 IEMMHZSBUSZEHY-HSZRJFAPSA-N 428.602 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC2(CCOCC2)C1 1749356260 ZWJBDUIGTAIILP-UHFFFAOYSA-N 439.560 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1749376445 YXJUDRHQIHQCCT-UHFFFAOYSA-N 449.640 4.643 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1749381213 DFSVBCLUDXAYRG-QUCCMNQESA-N 435.538 4.834 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749758043 IEKCALRMCVKHOZ-CQSZACIVSA-N 446.489 4.845 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1749758252 MROLFJLEOLKAED-OAQYLSRUSA-N 435.062 4.775 30 10 IJEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760142713 KODJNTNXEWEXGW-IBGZPJMESA-N 444.526 4.541 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCCS1 1760178716 YHHJRTCICRACHO-LJQANCHMSA-N 425.385 4.519 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCC[C@H]1CC 1760216321 JJCZZBNUZZEOKM-IRLDBZIGSA-N 427.552 4.889 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCCN1CCCC 1760227552 HQSNYXNMJVGFOJ-DEOSSOPVSA-N 433.644 4.862 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1Cc1nc(C(C)C)cs1 1760231275 XXVQTOWNBLYVMV-UHFFFAOYSA-N 444.402 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SC)C1 1760319014 KPATYPQKEQVKHD-FKBYEOEOSA-N 437.613 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(CN3CCCCCC3)CC2)nnc1C(C)(C)C 1760327765 LQZVBEOKPVTAEX-GOTSBHOMSA-N 443.680 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)C(C)(C)C 1760330015 PWRBLGADHRMBMD-QGZVFWFLSA-N 448.011 4.636 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2scnc2C)CC1 1760396694 HZDQKHMAJCJLEB-QGZVFWFLSA-N 441.576 4.967 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1760444080 WXJVKGAIDCWFOF-UHFFFAOYSA-N 441.645 4.729 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C#N)o1)C1CC1 1760471697 FBOBNMGKMLZTND-UHFFFAOYSA-N 442.292 4.514 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@H]1CCCN(CC(C)C)C1 1760478743 QJPBHWWWBCVQEX-DEOSSOPVSA-N 434.632 4.834 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 1760564632 DBJLFIWJTLRCNW-UHFFFAOYSA-N 425.646 4.567 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1760569669 WNOIBALEOBSJBM-UHFFFAOYSA-N 444.645 4.787 30 10 IJEE CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CCCC1 1761574481 ABBPODCABWKVHE-OAQYLSRUSA-N 437.588 4.560 30 10 IJEE Cc1c(C(=O)Nc2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772746990 GGIHENRQUVQILX-UHFFFAOYSA-N 449.423 4.809 30 10 IJEE C/C(C=NN=C1NC(=O)[C@@H](CC(=O)c2ccc3c(c2)CCCC3)S1)=C\c1ccccc1 1772759905 FIRIWSVVOGKCKR-DSIPRBMHSA-N 431.561 4.815 30 10 IJEE CC(=O)Nc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2cccc(C)c2)c1 1859417297 TWRIGSAOQZTYGF-UHFFFAOYSA-N 449.514 4.989 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccccc3C#N)n2)c1 1860566445 UWISDTYXBLGXOD-BUHFOSPRSA-N 426.476 4.645 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861965856 WMSPCAFPRIPFSC-LJQANCHMSA-N 447.362 4.544 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862446542 VFZUQAHGYKVUGB-NRFANRHFSA-N 438.911 4.825 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862487743 IGKJPLNENYCRKZ-DJJJIMSYSA-N 428.872 4.933 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1C(=O)O 1862503943 IXTPVFQVUKISCC-OAQYLSRUSA-N 439.483 4.991 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1F 1862523436 HMQLXXWAWUGJHG-SGTLLEGYSA-N 432.289 4.965 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862716850 PMABDAPTFTWASM-OSPHWJPCSA-N 445.515 4.588 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2ccc(F)cc2)C1=O 1863150228 NKAXDRMWPWCRME-UHFFFAOYSA-N 429.289 4.583 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)c1 1863151331 BJGKWJWVTUPULC-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CCOC(C)C)C1=O 1863564945 JRXGNVUXTZUTNR-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccccc2F)C1=O 1863644941 UJVOLNCVLLQPKM-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE COc1ccc(/C=C/C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1OC 1865909683 KFKZJSILSIGPIH-FMIVXFBMSA-N 426.472 4.767 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866732783 HPFCIBGULJCWIA-PKTZIBPZSA-N 437.609 4.873 30 10 IJEE CCCC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867322126 XRFLLHQSURSFTR-UXHICEINSA-N 432.351 4.972 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(Cc3ccccc3)CC2)nc(-c2ccccc2C)n1 1867960660 COVCBDGDFHXFDE-UHFFFAOYSA-N 439.607 4.953 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(C)C 1868717723 GULRLLPEXAUOFZ-UKILVPOCSA-N 440.534 4.828 30 10 IJEE C=CCN(CC=C)c1cc(N(CCC)CCCN(C)C)nc(-c2ccc(OCC)cc2)n1 1869336838 UZLXQLFTLJJVKE-UHFFFAOYSA-N 437.632 4.889 30 10 IJEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CSCc2ccccc2)cc1=O 1870300581 LMRIAUJGQMLVHE-HSZRJFAPSA-N 439.964 4.681 30 10 IJEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1CN(CCOC)CCOC 1870657284 JQMHKEYYTRSEDH-UHFFFAOYSA-N 438.653 4.873 30 10 IJEE C[C@@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871253773 HYKZHDXXIYVOBR-LJQANCHMSA-N 445.563 4.589 30 10 IJEE CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)CNC(=O)c4ccccc4)ccc3C2=O)cc1 1871366115 SNBQWGHANFQCSB-OYKKKHCWSA-N 441.483 4.762 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(C)cc1)C2=O 1871392573 FDMMIWZLEUXEDO-JCMHNJIXSA-N 437.536 4.790 30 10 IJEE C[C@@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)C[C@@H](C)O1 1871395274 MPOJKFAOYIUJMO-DBRPTBGJSA-N 434.319 4.924 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c1 1871426773 YHLBMXFIPHRIOC-SUVVMJBMSA-N 442.471 4.615 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871432542 KKWBXDYGJDNQET-MSXFZWOLSA-N 431.419 4.662 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871438685 MAIMCJHZNGHZFV-KSEXSDGBSA-N 445.446 4.970 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](C)CC)S(=O)(=O)CCC 1871826472 UKWLENPKJJZZBF-CRAIPNDOSA-N 434.524 4.677 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872110752 OIAYSVHMWCXHQH-HRAATJIYSA-N 445.610 4.850 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1sc(N(C)C)nc1C 1873500429 VPQDDGOJOBDNCY-SRZZPIQSSA-N 435.022 4.889 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1F 1874343892 MNJAFLPIQKQPPX-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE Cc1ccccc1CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc[nH]1 1874361781 VXIYTZRONXQSHQ-MFKUBSTISA-N 446.536 4.783 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccs1)c1ccccc1 1874457489 QZMZHOBBCVDHIH-BRABVMKYSA-N 439.610 4.849 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cc(C)ccc1O 1874477960 LVNGXRXXMMSSKJ-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)cc1 1874482881 SEPQFNHIBDNDCF-LPYMAVHISA-N 425.514 4.667 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(F)c2)c1C 1874494602 ADYZKPLOZMFWJP-DHRITJCHSA-N 437.544 4.915 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1c(F)cccc1Cl 1874524244 DZJBBQIWTSYDIC-FOKLQQMPSA-N 431.924 4.554 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccccc1Cl 1874528922 IPPPFXHDAWPIJZ-FSJBWODESA-N 427.961 4.724 30 10 IJEE O=C(COc1ccccc1/C=C/C(=O)c1cccc(Br)c1)NCc1ccco1 1874576154 ZKNDMRNUTZWQRU-ZHACJKMWSA-N 440.293 4.633 30 10 IJEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)o1 1874594114 SXRBBLVLQVJBNP-DHZHZOJOSA-N 436.460 4.949 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCC(=O)N(CC)CC 1874609353 MDJWFXICFITHCJ-XNTDXEJSSA-N 437.536 4.576 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)CC(C)C 1875146730 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CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2ccc(C#N)cc2Br)C1 2106104813 XWGLFUBFAXDIBO-ZDUSSCGKSA-N 430.293 4.625 30 10 IJEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cc(F)c1C#N 2118193483 AVJZSLJQBUJRKF-UHFFFAOYSA-N 426.330 4.543 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](Nc2cc(Br)cc(F)c2C#N)C12CCC2 2175036000 FRCNRMQJCUSODN-SJKOYZFVSA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](CN(c3cc(Br)cc(F)c3C#N)C1)C2 2176923434 GKARDSDWQTUJMN-XCLFUZPHSA-N 438.341 4.591 30 10 IJEE CC1(C)CN(Cc2ccccc2)[C@H](CNc2cc(Br)cc(F)c2C#N)CO1 2194657335 LZYXBHMGLHRTIV-QGZVFWFLSA-N 432.337 4.551 30 10 IJEE CC(C)N[C@](C#N)(COc1cccc(OCc2ccccc2)c1)C1(Br)CC1 2206669532 WTPAVLKKDCBEAM-JOCHJYFZSA-N 429.358 4.832 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2235726139 XJGFCPALGWOIKA-CVEARBPZSA-N 449.311 4.624 30 10 IJEE C=C(c1ccccc1)[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237406208 AJLRQBJFJFUUBO-PMACEKPBSA-N 431.374 4.926 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](N)C#Cc1ccc(Br)cc1 2242587467 NOPXXWIRFHNORO-FQEVSTJZSA-N 429.358 4.565 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)CC[C@H]1CC 2261959372 REETXSHWJBSCDR-PXDATVDWSA-N 447.572 4.657 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2265859861 MNMFKXHNMFKCKD-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)C=CCCN1C(=O)OC(C)(C)C 2296294741 XKOFMQNOWKQRTH-DENIHFKCSA-N 433.390 4.734 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2296296395 NGKHLTDSDWRZHS-RTBURBONSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC1CCCC1)NC(=O)OC(C)(C)C 2296296457 NWJCWXHKVQADDW-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2318575140 ZRVYXYQWDNBYBA-UHFFFAOYSA-N 440.569 4.739 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCOC)C4)cc1 2322016580 DCDATXQBVLMZQS-UHFFFAOYSA-N 436.552 4.646 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(OCCCC)cc1 2322214451 ORISIXRODOWZHF-UHFFFAOYSA-N 438.553 4.772 30 10 IJEE CCN(CC)C(=O)COc1cccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)c1 2323273842 HPQZBGUNMVOVRW-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325086418 SPXUTFWRBGKRGO-GOSISDBHSA-N 425.437 4.630 30 10 IJEE O=C(C=Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2325571573 GOTDYCHZOBLPNE-UHFFFAOYSA-N 449.384 4.702 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 2325728047 STFODNSBDWLMOH-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cnccn1 2325736928 LSMPYBCGCOGANZ-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE C=CCOc1cn(CCCCCC)c(CN2CCN(CC=Cc3ccccc3)CC2)cc1=O 2325782443 DJRFSWUJLVFNDX-UHFFFAOYSA-N 449.639 4.824 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccccc1OC 2326797730 MUFTUZCRBXNCAA-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE CCCOc1ccccc1C=CC(=O)[C@H]1C[C@H](NC(=O)CCCc2ccc(C)cc2)CCN1 2328263731 GYXGYYYSDPNNRU-JWQCQUIFSA-N 448.607 4.626 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccccc1[N+](=O)[O-] 2328895862 ZRWWVSIUKPDROU-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2[C@@H]2CCCO2)cc1 2330929431 OEYGBZSSEZMBOJ-NRFANRHFSA-N 449.580 4.613 30 10 IJEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cn(C)c2ccccc12 2331282102 DOJCSMLLVJJUCH-UHFFFAOYSA-N 433.581 4.750 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(C)cc2)o1 2331393850 ZPRNABONBWXZCA-UHFFFAOYSA-N 426.542 4.828 30 10 IJEE C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339576944 NMULOZONYBUAAC-LUOJLBBYSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2342469851 MQHLJIHWJAFZEC-GOSISDBHSA-N 442.365 4.742 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCN[C@@H]1C(F)(F)F 2370259270 WYZXGUOYLABZBR-YOEHRIQHSA-N 448.283 4.767 30 10 IJEE CC1(C)OB(c2cc(Nc3c(Cl)cc(F)cc3Br)ncc2F)OC1(C)C 2371994624 RENRTFFTSIOJIM-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CCOC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(C)=O 6179676 AJXWRJDDXBWXFI-MOSHPQCFSA-N 439.309 4.837 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)c1 20905554 VPOBPLIGJBWNNM-ZMOGYAJESA-N 430.537 4.752 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC 22883771 SMRZUCFMZSQGJU-CSKARUKUSA-N 446.469 4.641 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2ccccc2OC)c1C 32971560 RLSAYMSLBASTTK-UHFFFAOYSA-N 439.947 4.580 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 35442962 PHHJYFFQILXCAB-NVEDVNMVSA-N 446.591 4.914 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 35444248 YEKLIQHYPORJGA-TYQNLQDCSA-N 429.472 4.856 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 39840801 XEPXLXDDXUEYQK-HSZRJFAPSA-N 442.446 4.950 30 10 IJEE C=CCc1ccccc1OCC(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OCC 54624946 OUGJMWSHHYYXOH-UHFFFAOYSA-N 445.537 4.544 30 10 IJEE CN/C(=N\c1ccc(C)c(C)c1)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 59446449 CFMHBSXVVBHRGB-KRWDZBQOSA-N 436.364 4.882 30 10 IJEE O=C(c1ccc(Cl)s1)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96309793 PECDPAHWFYPDCL-OAQYLSRUSA-N 429.977 4.650 30 10 IJEE biogenic CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(Br)cc1 100196562 RXHBBJQFCHLESP-DVCONVQISA-N 446.370 4.738 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccnc1 136002748 SYCKGLQXXXVKJN-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953826 HWHFOFBKGABMDP-XMMPIXPASA-N 442.515 4.853 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@@H]3c3ccccn3)nc2c1 169999972 KDJHWBUPQAQARC-QFIPXVFZSA-N 438.487 4.666 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 170050096 HJPQCWZHGVYAGP-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccco2)cc1 170096424 XYHYTELWOGDCDH-JOCHJYFZSA-N 435.451 4.557 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)c(OC)c1 170161436 GPLMLTLHZSVCNK-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccccn2)cc1 170175890 GYJXRDRWFZKNER-DEOSSOPVSA-N 431.451 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 170229651 JPHRLXXRMLYPKZ-JOCHJYFZSA-N 433.410 4.683 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 170240193 SXXJLGCCNOKSSP-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1ccco1 170287795 FEAIKELHOIEUFR-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 170454744 OGPORSBZLITNHB-OAQYLSRUSA-N 428.479 4.936 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(OC(C)C)cc2)c1 170474049 YBTWRXYOXJZMKY-XMMPIXPASA-N 437.536 4.993 30 10 IJEE CN(C)c1ccc(/C=N/N=C2/S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)cc1 210653071 BJUMHVWILOJOPT-JVKKCDPRSA-N 430.533 4.852 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C\c3c(C)n(C)c4ccccc34)C(=O)N2C)cc1 254288055 SDNJGLMJSKZRHZ-NGZUUMTHSA-N 433.533 4.897 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1nc(C(F)(F)F)cs1 508486006 APEFCARDNDDUHO-UHFFFAOYSA-N 432.475 4.735 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 509009448 BYPACDUBMNFPGY-CQSZACIVSA-N 432.981 4.542 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 554630971 MDHZJFPNCHASKM-SFHVURJKSA-N 447.461 4.550 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H]2CCCCO2)CC1 555484436 PYBODEFUHQTBBO-LJQANCHMSA-N 439.629 4.975 30 10 IJEE N#Cc1cccc(NC(=O)c2cccc(N3C(=O)N[C@@H](c4ccc5ccccc5c4)C3=O)c2)c1 562483497 CXPDPIQYVONFBX-DEOSSOPVSA-N 446.466 4.761 30 10 IJEE CCCCCCC[S@](=O)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 586292713 BEVUECMFYCWOBP-HBIPHATFSA-N 427.632 4.707 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 698370825 CMGGWGNOOROJBM-UUOWRZLLSA-N 429.561 4.963 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1cc(Br)c2c(c1)OCO2 698963241 WZHHDPXJLQKVKJ-ZDUSSCGKSA-N 438.282 4.680 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1ccc(F)cc1C#N 728615590 WOIOTXWKUQMIKT-LJQANCHMSA-N 437.298 4.892 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739598163 DXOIKVFWTDZAAH-UHFFFAOYSA-N 426.545 4.948 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@@H]1CCOc2ccc(Br)cc21 741565295 YJAMYFVEMPXGMK-WRWLIDTKSA-N 446.291 4.816 30 10 IJEE C[C@H](OC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(=O)Nc1sc2c(c1C#N)CCC2 745594541 HJYJFQUEUNOYDO-LBPRGKRZSA-N 449.507 4.857 30 10 IJEE O=C1/C(=C\c2ccc(-n3cncn3)cc2)[C@@H](C2CC2)CC/C1=C\c1ccc(-n2cncn2)cc1 749006506 XORJLPVURFKBSM-YKQIRBQLSA-N 448.530 4.704 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1nc2cc(Cl)ccc2n1C 749164163 FWPOVDPXBMRWHE-UHFFFAOYSA-N 445.836 4.934 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2cc(-c3ccco3)nn2-c2cc(C)cc(C)c2)n1 788661166 OJZQNQNWSHFURU-UHFFFAOYSA-N 442.523 4.633 30 10 IJEE C#Cc1cccc(NC(=S)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)c1 789342458 MTHAOMMTZUTMDB-UHFFFAOYSA-N 425.529 4.909 30 10 IJEE C=CCn1c(SC[C@@H](O)c2ccc(F)cn2)nc2cc(-c3ccccc3)sc2c1=O 799608615 PHFNUILTGRSQEO-GOSISDBHSA-N 439.537 4.671 30 10 IJEE C=CCC[C@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1 807248973 HWWGDHDVTIXJCM-QFIPXVFZSA-N 429.545 4.727 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1C1CCCCC1 812177275 AWLXDFOINBFGGJ-JOCHJYFZSA-N 437.588 4.830 30 10 IJEE Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 917612155 KRFQLAAIVGCVIS-UHFFFAOYSA-O 429.569 4.993 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1 1125294151 NWGLXTHSBLZJMO-UHFFFAOYSA-N 445.931 4.967 30 10 IJEE C=CCOc1ccc(OC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1 1126452098 PDYAGNCWUIUHTI-UHFFFAOYSA-N 443.565 4.508 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)/C=C(\C)c3cccc(C(F)(F)F)c3)c2C#N)C1 1131603644 CKISHECYCULJHZ-XYOKQWHBSA-N 433.455 4.585 30 10 IJEE C=C(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 1134837868 BGTCZFBGISDJHU-UHFFFAOYSA-N 426.582 4.883 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 1135342202 AAQPIBOHVIMLQM-WXFJXSOESA-N 444.572 4.521 30 10 IJEE C#CC[C@]1(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CCCN1C(=O)OC(C)(C)C 1136110219 CTQMYPNXSOVDGN-AREMUKBSSA-N 433.552 4.577 30 10 IJEE C=CC1(CC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)CN(C(=O)OC(C)(C)C)C1 1136795186 JQQQWTOIJXFANI-UHFFFAOYSA-N 447.645 4.960 30 10 IJEE C=CCC[C@H](NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1168563601 MGYHZWVIRGPJQM-CVDCTZTESA-N 445.529 4.945 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2(C)C)c1 1197051967 PDIZDGGKIDXIHL-HXUWFJFHSA-N 443.469 4.603 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)CC1 1202813277 RNWLUPUHETZAKU-UHFFFAOYSA-N 427.250 4.869 30 10 IJEE N#Cc1nc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)ccc1Br 1208101796 DUCZXTBNZPHKOP-UHFFFAOYSA-N 442.292 4.748 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc(-c3cccc(OC)c3)[nH]2)cc1 1210854666 AQXCGKXLUXDYNN-QHCPKHFHSA-N 437.565 4.730 30 10 IJEE CC(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC12CCCCC2 1216826943 CEPYCLAKYFCQDT-UHFFFAOYSA-N 432.524 4.749 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1)[C@H]1CCCc2ccccc21 1222683822 CFIXNUJMGPRABH-JTSKRJEESA-N 430.508 4.529 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(C)cc(Br)c2C1)c1ccc(Cl)cc1F 1230511539 WADFTOCTEATVCX-IBGZPJMESA-N 435.724 4.992 30 10 IJEE C#CCN(C(=O)Cc1ccc(C)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1265209775 ITUJVVUSLOQVGO-IBGZPJMESA-N 432.745 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCC[C@H]1C 1286279003 SELYCRVCADHXFL-XMODTWTHSA-N 445.007 4.697 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCc1nccs1 1286436934 BJIGCLQERYFHKH-UHFFFAOYSA-N 448.621 4.926 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H]1CCCc2cccnc21 1286458034 IGBAKPPYPDQMQY-JOCHJYFZSA-N 431.559 4.771 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1286558391 OKZTUAOFOBEBJO-NZQKXSOJSA-N 439.991 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C)nn1C 1286566406 HQCPTVHKCZVPLM-KRWDZBQOSA-N 428.968 4.564 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 1286594553 AQFZOFXQUYSLJR-QFIPXVFZSA-N 438.597 4.701 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[C@H](C)C2)CC1 1286652017 RLPZLWHLWKMAFT-PXNSSMCTSA-N 442.007 4.700 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](OCC)C2CCCC2)CC1 1286664944 MOOAEXRQQSEJGE-HSZRJFAPSA-N 440.636 4.528 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H](C)C2)c1 1290333038 FHVRGNRYSIQWHZ-SFHVURJKSA-N 434.613 4.555 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](O)c1ccccc1C(F)(F)F 1299171419 YPHLAXVAEFWBTM-MRXNPFEDSA-N 430.220 4.705 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@]2(CC=CCC2)C1 1300766206 WUFOAYIDHGLCLY-XMMPIXPASA-N 442.579 4.840 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1300946300 XPBMSJFCGYQBCP-RTBURBONSA-N 434.588 4.656 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1301075685 NZOABOYJVPGECH-JKSUJKDBSA-N 449.368 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccco1 1301139003 JRWPUVXNBIFQGR-UHFFFAOYSA-N 432.366 4.878 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1301178536 OJUCQUJFYGEOQB-UHFFFAOYSA-N 442.489 4.981 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1301195222 WASLZGXVRLSANG-QFIPXVFZSA-N 438.597 4.873 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1301236806 JZFZUOREFOZSBW-LSDHHAIUSA-N 441.523 4.955 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccnc(OC(F)F)c1 1301280865 YLFYMKDKBNDNFW-UHFFFAOYSA-N 440.281 4.919 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1 1301354614 DNIZFRHVZVEXSY-NVQXNPDNSA-N 449.574 4.943 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cscn1 1301597277 MXDCTWYODBFCTC-UHFFFAOYSA-N 436.610 4.814 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1301620531 HANCPNGMJNPCNR-SJLPKXTDSA-N 440.535 4.719 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCSC2)C1 1301621196 SZNCKEDMBXJRJL-HSZRJFAPSA-N 444.670 4.727 30 10 IJEE Cc1c(C(=O)N(CCNC(=O)OC(C)(C)C)CC(F)(F)F)sc2ccc(C#N)cc12 1303210144 APANKKGUGOMVBB-UHFFFAOYSA-N 441.475 4.611 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC2CCCCCCC2)C(C)C)nc2sccc2c1=O 1307264692 WPXPLLWBQJGNNX-GOSISDBHSA-N 433.643 4.990 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(C(=O)NCC)ccc2C)cc1OC 1308320176 RZRRGQHYRBJGAH-UHFFFAOYSA-N 433.346 4.693 30 10 IJEE CC(C)(CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Br)cc1 1308595483 ARROJAIAGWXRAP-UHFFFAOYSA-N 440.385 4.949 30 10 IJEE C#CCN(C(=O)Nc1cc(C)n(C(C)C)n1)[C@@H]1CCOc2ccc(Br)cc21 1310894394 YKFXIADGNXAJGH-QGZVFWFLSA-N 431.334 4.526 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br)C(C)C 1311387744 HSZXBVLBWQOFAG-MOPGFXCFSA-N 438.385 4.573 30 10 IJEE C=CC[C@@H](NC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccncc1 1312018125 AYRGURVLBJVNEZ-RTWAWAEBSA-N 442.604 4.958 30 10 IJEE C=CCO[C@@H]1CCN(Cc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)C1 1325221737 CHIRCMJNHOPVRC-MRXNPFEDSA-N 426.369 4.911 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1 1351104502 ZNUMHGAVMKHQEE-UHFFFAOYSA-N 430.533 4.872 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1cccs1 1358921544 AJZYQYQOWAPPCF-INIZCTEOSA-N 430.375 4.852 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1358934466 CCXPYEITXTUSRG-UHFFFAOYSA-N 449.502 4.691 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1C[C@H](C)O[C@@H](C)C1 1358989231 UPVRWZMOCHAKKU-IRXDYDNUSA-N 445.394 4.918 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)c1cccs1 1359066388 ZBHUEWGZHDFKGH-FGZHOGPDSA-N 426.973 4.560 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@@H]1C 1359262399 RZWUBGSMEXOTKN-GJZGRUSLSA-N 446.418 4.956 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1coc(-c2cccs2)n1 1359268829 DZDYDPVCDFNDQI-UHFFFAOYSA-N 438.944 4.937 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCCS2)C1 1359316156 JGFQCQLNEHYDPQ-DLBZAZTESA-N 436.984 4.805 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2CC(F)(F)C2)cc1 1359497824 FGAYSCSNISKOEF-QFIPXVFZSA-N 447.505 4.642 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2Cc3cc(Br)ccc3O2)c1 1359863832 YCEBVRVYQMLSNU-QHCPKHFHSA-N 432.317 4.967 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)c1 1361103738 HBRIBUUBFCSUJP-UHFFFAOYSA-N 443.430 4.779 30 10 IJEE COC(=O)Nc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1F 1361124552 FPVUDUDJKAHHGC-UHFFFAOYSA-N 437.402 4.846 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1c2ccccc2CC[C@@H]1C 1458292599 AMUHCCPBRTZCGT-LHSJRXKWSA-N 443.341 4.538 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC(NC(C)C)CC3)c2C#N)C1 1459752255 FAVOPUOVQQCLQZ-QGZVFWFLSA-N 430.662 4.562 30 10 IJEE C#C[C@H]1CCCN(CC(=O)N(CC=C)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 1460312716 ZEDKJBVTYWWKLB-HNNXBMFYSA-N 434.392 4.981 30 10 IJEE C=C(Br)CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1460387173 AQIBUSNNRUBRFE-OALUTQOASA-N 439.394 4.677 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1465781044 FHEYASCSRZXKNK-XOBRGWDASA-N 436.405 4.850 30 10 IJEE CC(C)(C)OC(=O)c1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1467008079 FLNHNPUBEWJXDK-UHFFFAOYSA-N 440.931 4.521 30 10 IJEE C=CCC1(NC(=O)NCCc2ccc(OCCN3C[C@H](C)[C@@H](C)C3)cc2)CCCCC1 1469602776 WJJAUNJDGWZWOW-VXKWHMMOSA-N 427.633 4.774 30 10 IJEE C#CCN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCCc2ccccc21 1472071309 XISCRQNHGMZONT-TZIWHRDSSA-N 441.358 4.886 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(C)cc1 1473008914 LMUQDPCOXPEHNB-MRXNPFEDSA-N 426.973 4.890 30 10 IJEE C=CCSCCNC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1476035500 UFAHJMMWDUUWLF-UHFFFAOYSA-N 445.032 4.703 30 10 IJEE N#Cc1ccc(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)cc1C(F)(F)F 1476211284 HDTQUJAHQKRMLQ-QGZVFWFLSA-N 438.450 4.586 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1507543786 XTPDDJSYQGJFHB-BPUDTRNYSA-N 434.609 4.865 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(C)(C)C1CC1 1507666480 DACADSXZDVBWGR-UHFFFAOYSA-N 427.552 4.889 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCC1CC(OC(C)(C)C)C1 1507685678 UPUGTELAEMCYTN-UHFFFAOYSA-N 431.584 4.937 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cccs1 1507754373 WPXGOQBBRMKGFS-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(Cl)c1 1507758299 LIMPGLSVAIMDIK-WOJBJXKFSA-N 447.048 4.853 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](OC)C(C)C 1507816520 OCVYZNVVEQMYPG-SFHVURJKSA-N 439.373 4.920 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2sc(C)nc2C)CC1 1507881809 ZDNMFULCHNZPLN-UHFFFAOYSA-N 429.977 4.885 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccncc1Cl 1507929435 QIQSITRXQZTNMJ-UHFFFAOYSA-N 439.947 4.953 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cc(C)on1 1507951675 HKDHWOBDGAYNSB-UHFFFAOYSA-N 446.349 4.519 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(Cc1c(F)cccc1F)C1CC1 1508157934 CJQMGVMWDDMTSB-INIZCTEOSA-N 434.556 4.539 30 10 IJEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1)N(C)C 1509105737 CSWNNDMWFSHGFN-YFNKSVMNSA-N 434.632 4.810 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCCCC2)C1 1509405365 DCCBYHVTKNYERQ-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(COc4ccccc4)c3C)cc2C1=O 1516756369 LSDMWGKADPHFEC-UHFFFAOYSA-N 426.472 4.608 30 10 IJEE C#CC[C@]1(C(=O)NCC2(c3cccc(F)c3F)CCCC2)CCCN1C(=O)OC(C)(C)C 1522475010 CQIGJOHUBVQKNW-RUZDIDTESA-N 446.538 4.686 30 10 IJEE COc1ccccc1C[C@H]1CCC[C@H]1OC(=O)COc1cccc(Br)c1C#N 1523563052 ATMMVTMROHVXII-OXQOHEQNSA-N 444.325 4.663 30 10 IJEE C=CCN(C(=O)[C@@H](C)OCCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1530619996 XNAZMONWZDNLKG-QGZVFWFLSA-N 437.521 4.885 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](c1cccnc1)C(C)C 1538975170 YKHRCYSAFGCCIQ-ZJOUEHCJSA-N 435.547 4.850 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(N(C)C)cc1 1539350810 ZOVLAXFCGREJEM-IBGZPJMESA-N 447.652 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)OC(C)(C)C1 1539622387 FOBQCRJDJKTMEU-GUXCAODWSA-N 448.970 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1nc(C)c(C)s1 1539656599 ZFQLWZWFAJSDBC-UHFFFAOYSA-N 426.546 4.572 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(Cl)nc2)CC1 1539897720 JGZOOMYECPLEKF-UHFFFAOYSA-N 437.975 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539909576 OCUPBYNCOQYIQM-FQEVSTJZSA-N 437.592 4.574 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 1539941108 ZYUIFPDERJTIOM-GOSISDBHSA-N 444.505 4.904 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1539960725 FVPDWGDWCHPDAI-LJQANCHMSA-N 434.588 4.514 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1 1540855940 HNKWRUFJAVBNBC-HNNXBMFYSA-N 437.357 4.817 30 10 IJEE C=C1CCC(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1542567991 GSEOUOLIVXHXNE-IBGZPJMESA-N 442.556 4.928 30 10 IJEE CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N)N1CCCC1 1545951907 DSVFAILUNAQURX-CMKODMSKSA-N 445.011 4.684 30 10 IJEE C#C[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccc(Cl)cc1F 1556559242 BLPMPDTZVCDVAU-QFIPXVFZSA-N 433.870 4.810 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1558731026 NNTONLIOXJIXAJ-JOCHJYFZSA-N 438.593 4.721 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1560648942 YXVPHKRAESPBTL-UHFFFAOYSA-N 437.754 4.617 30 10 IJEE C=CCCS(=O)(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1561218617 NLXGIBRVIJHTNP-UHFFFAOYSA-N 439.408 4.606 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)CC1 1564600868 AEDFVTQZFHWQOL-NYLDSWQDSA-N 438.959 4.713 30 10 IJEE C[C@@H](NC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1567480398 GVKFPQRYOGXKRA-CRICUBBOSA-N 437.515 4.752 30 10 IJEE COC(=O)Cc1ccccc1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1584879688 GRVKDVACBCTNGU-UHFFFAOYSA-N 434.879 4.649 30 10 IJEE CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1585483690 AXHLYDYPAGCERW-MNLRITNHSA-N 427.932 4.516 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CC(OCC)C1 1587909914 XTGBIRLJJNBDDG-LWEYNCJUSA-N 445.007 4.963 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1csc2ccccc12 1589589897 PLCRDLSWZLRBKI-UHFFFAOYSA-N 446.580 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCC1(F)F 1589687769 NXKNJMRGRHKFTQ-IBGZPJMESA-N 429.515 4.957 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCSC1 1593696198 LDMFECNSWLNKRZ-VQTJNVASSA-N 430.618 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2Cc2sccc2Br)CC1 1594077028 GZBJCKXAXISKHF-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1594128339 PPJNVKBAFDVUHJ-SIKLNZKXSA-N 428.552 4.748 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccncc2Cl)CC1 1594134758 VUDUAPHFLWAFKV-UHFFFAOYSA-N 441.988 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1594478000 LZGNIQXGOJPNLR-UHFFFAOYSA-N 435.616 4.919 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1594627944 YAIVCCOATHVOIG-OAQYLSRUSA-N 444.023 4.504 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@@H]1C 1595099451 BRUACHIULDIJSQ-CVDCTZTESA-N 447.608 4.667 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)c1 1597426355 QAYACXPODWFIRU-QFIPXVFZSA-N 433.508 4.596 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 1614875802 UAZBQPHNMKDWIL-NRFANRHFSA-N 447.878 4.764 30 10 IJEE C#CC(C)(C)N(C)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(OC)cc1 1617175539 DVKOBDGDJZLNJD-AREMUKBSSA-N 439.559 4.870 30 10 IJEE C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2ccc(Br)cc2C#N)C1 1617790874 CGKLDLRFZVKCSW-OXJNMPFZSA-N 434.378 4.544 30 10 IJEE CN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1618200530 FLSBYZWRMVHGMO-UHFFFAOYSA-N 429.515 4.791 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C(F)(F)F)cc1 1621949767 XBMAVQMXOVYJSB-QGZVFWFLSA-N 428.432 4.908 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1F 1623826289 YNBYGSOVHFNFMV-QGZVFWFLSA-N 448.947 4.938 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 1624458586 KJMNQNZVBCYBJE-UHFFFAOYSA-N 439.471 4.909 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1 1626528705 GOIPZJNORIZTGV-UHFFFAOYSA-N 433.533 4.834 30 10 IJEE C#CCN(C(=O)c1cc(CCCCC)[nH]n1)[C@@H]1CCOc2ccc(Br)cc21 1628058039 OLZYKIFFEMYABO-LJQANCHMSA-N 430.346 4.504 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CCC 1631292184 ARDYAYIRXFBWMD-QFIPXVFZSA-N 426.944 4.905 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)cc2)cc1 1631635738 ACZSFQFXQNQZOA-SANMLTNESA-N 426.516 4.958 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3OCc3ccccc3)n[nH]2)c1C 1631889342 ZBGVYQNZHXMBCJ-UHFFFAOYSA-N 427.508 4.907 30 10 IJEE C=CC[C@@H](NC(=O)c1sc2cccc(F)c2c1COc1ccccc1)C(=O)OCC 1632656079 KSLXHXBZSSJMBL-GOSISDBHSA-N 427.497 4.857 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(F)cc2NC(=O)c2ccc(OC)cc2)cc1 1635065143 BTEAETZLEUZUBP-UHFFFAOYSA-N 434.467 4.581 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1649542654 OAMNNNGAUNFRDL-OAQYLSRUSA-N 446.599 4.586 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3ccc(Cl)cc3)n3cccn3)c2c1 1651594515 ADHMXXDFXTVEAN-FQEVSTJZSA-N 433.899 4.675 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(-c2ccc(C(C)C)cc2)nn1-c1ccccc1 1653659672 WDDHKASVXKTREH-NOZRDPDXSA-N 444.579 4.924 30 10 IJEE CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccc(CN(C)C)cc1 1659651989 HMTKILYOFOKLLM-SFHVURJKSA-N 438.641 4.657 30 10 IJEE C#CC[C@H](NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccccc1 1661626522 VLQQMOIEYKNGGN-INIZCTEOSA-N 432.427 4.990 30 10 IJEE CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CCN(Cc2ccccc2)C1 1665660379 GNMSGXVCNQUPAB-JOCHJYFZSA-N 445.592 4.734 30 10 IJEE Cc1ccc(F)c(-c2cc(NC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)n[nH]2)c1 1668245907 CYAXWWLRIDIAID-UHFFFAOYSA-N 435.850 4.879 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1673080895 FDWIBDZOMCZFDC-UHFFFAOYSA-N 442.585 4.753 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2 1674090768 CHMADTXEOXHAQC-UHFFFAOYSA-N 441.988 4.834 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)c1 1674202085 BKTBZBIMFCXYSJ-HZPDHXFCSA-N 431.458 4.969 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1678228192 AEGGVYMIDOZFGU-YFXJRYMSSA-N 426.582 4.614 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)[C@H](OC)c3ccc(Br)cc3)cc21 1680802405 PIPTXPQTMMIEJU-VLIAUNLRSA-N 443.345 4.883 30 10 IJEE C=CCC[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 1680854853 HVHYLZPNAOVHBP-MOPGFXCFSA-N 441.494 4.975 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 1682344712 MPJYZQOUSBGTQD-BVSLBCMMSA-N 443.563 4.711 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br)C1CCOCC1 1684034850 FMSDIYUQNAOHEJ-VXKWHMMOSA-N 441.369 4.608 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1689895068 IBBZINDJLFFHOI-YADHBBJMSA-N 441.019 4.969 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1690244866 ABJQOAQPLVOBTF-TXVWBRJLSA-N 434.650 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690246913 XRFTUNHJVWWSLY-YYWHXJBOSA-N 448.970 4.930 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1690280354 IACSJZIPDYVUCD-FPOVZHCZSA-N 446.599 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cccc(Br)n2)CC1 1690369605 QUSARYZHUPQECW-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@@H](C)N1CCC(C)CC1 1690556171 OOHFGCXDUGYIIU-OAQYLSRUSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCCC1CCOCC1 1690569925 POWGKJKHYUACHO-JOCHJYFZSA-N 442.579 4.711 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCC(=O)NC1CCCCC1 1690578002 PLRJZQNWTHHXQC-UHFFFAOYSA-N 427.618 4.639 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690631029 HJZRKQKPMJXAEN-INIZCTEOSA-N 436.869 4.841 30 10 IJEE C=CCOc1ccccc1Cn1c(N(CCOC)[C@@H]2CC[C@@H](C)C2)nnc1C(C)(C)C 1690684272 CECIOPSZHVYFSC-TZIWHRDSSA-N 426.605 4.830 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(Cl)s2)C1 1690711487 BGXLNFFXGBWZCE-OAHLLOKOSA-N 448.951 4.541 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(F)cn2)cc1 1693165742 GBPCNCPBCMNXTQ-QHCPKHFHSA-N 436.560 4.591 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705526221 CIJMACHUMNFCJC-CZUORRHYSA-N 441.295 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1ccc(C)cc1 1705606520 WGDMJPOUTGZAIK-MRXNPFEDSA-N 426.362 4.607 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705722865 LNJBDOBNCCMBIR-MRXNPFEDSA-N 431.968 4.620 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 1705741823 AHLGVTMJBKOJQD-QAPCUYQASA-N 444.352 4.554 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC2CCC(OC)CC2)CC1 1705771794 DZQKCLAABNZCDG-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1705797431 WGTNDOGTMNJKOS-ISKFKSNPSA-N 445.611 4.877 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705800940 OHENITYDMHUNJX-SFHVURJKSA-N 430.980 4.729 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705808466 NYLCPGOKWMLUHV-SZPZYZBQSA-N 443.680 4.693 30 10 IJEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCOC2(CCCCCC2)C1 1705823837 XGNOUBDGHBBQBX-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1705832355 VLCUGFKHPCSWSI-FQEVSTJZSA-N 439.629 4.665 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccsc1 1705837087 PGIRYIVNUQXVRJ-JOCHJYFZSA-N 428.627 4.867 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705848222 HGLWYIHCTXHOOQ-ACDBMABISA-N 426.605 4.980 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1CCc1cc(Br)ccc1F)C1CC1 1705852598 XUONBRYVSKOINI-UHFFFAOYSA-N 444.352 4.583 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccs1 1705859836 ZUMRTLBATZOBRY-XMMPIXPASA-N 438.597 4.621 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CCCS1 1705859934 KCZJCPRNSFOKAY-ZJSXRUAMSA-N 437.613 4.522 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C)cc1OC 1705880484 GOGDERVBZFOUDV-QFIPXVFZSA-N 436.556 4.713 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@H](C)c1ncc(C)s1 1705880947 VSHVTOJTKOFBTP-KRWDZBQOSA-N 434.569 4.737 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1705893024 XMVUFQUOVBIAMY-UHFFFAOYSA-N 428.552 4.746 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCCCCC[C@H]21 1705947739 WCIOHLSFQUCORU-LEWJYISDSA-N 426.630 4.956 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1722339025 QFDIMBQKJSGPLC-OALUTQOASA-N 447.048 4.995 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1722469492 FQGKDOBICDVCEE-UMTXDNHDSA-N 444.627 4.567 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1722477757 LGBPEZGBHGQOBX-LKUPVBHCSA-N 444.421 4.759 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1 1722505436 BODUSFDGCXUKSE-YFVAEKQCSA-N 429.634 4.954 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1722564746 FPOMFHPTEZIWOX-LJQANCHMSA-N 446.979 4.785 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722581848 FLTUXFBISHWBBV-WMZHIEFXSA-N 442.991 4.894 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(C)(C)C)C1)c1ccccc1 1722593839 BMMPUZTZLBZXFA-VXKWHMMOSA-N 435.616 4.746 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722615871 BPWCWDURFFQPGJ-HNNXBMFYSA-N 444.448 4.661 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1cccnc1OCC(F)F 1722661014 PUIWMNVBDBSQKQ-UHFFFAOYSA-N 447.555 4.917 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCCO1 1722679374 YQNLVUNATGEDID-QHCPKHFHSA-N 449.599 4.561 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCSCC(F)(F)F 1740535591 RZKNNRPTTOVQFK-NVXWUHKLSA-N 440.535 4.788 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCSC(CC)(CC)C1 1740595679 JCAVRQZFQNSQOV-UHFFFAOYSA-N 426.630 4.945 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCC)CC1 1740648342 JAXYLZIWTSXRPI-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC)CC1 1740754977 XBHDEJFUWYUMGK-WMZHIEFXSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740757703 RAEPFSHZFIPWMM-HMHJJOSWSA-N 442.579 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1C 1740765660 BLXRJDRKFWMDAH-HMFYCAOWSA-N 428.602 4.549 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1740848336 ICRNWBFDCXEQME-VXKWHMMOSA-N 426.605 4.643 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740860883 TWRMMWYABDIQKK-MOPGFXCFSA-N 429.996 4.993 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(OCCOC)CC1 1740870268 LNOLECQNPUGJLV-UHFFFAOYSA-N 444.645 4.874 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740904401 JLGUFKVIRUDMHC-CPJSRVTESA-N 425.621 4.552 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCC(F)(F)F)cc1)C1CC1 1740911138 OHMFYHLYMDXHPE-LJQANCHMSA-N 436.478 4.664 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)c1ccccc1F 1740933341 ORLHXVUNGORRPF-UHFFFAOYSA-N 444.558 4.812 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1741004219 SYASVSRTMWASMI-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(OC2CCCC2)nc1 1748655424 XTMMATKIWSRTNF-IBGZPJMESA-N 429.568 4.730 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](OCC)C1 1748739884 KVEAFZBAZKFSDF-OAQYLSRUSA-N 434.540 4.536 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2ccsc2)CC1 1749252402 ACEZCHPAXVPHQY-UHFFFAOYSA-N 434.396 4.735 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1749384448 BQZCMFUWPMGALI-GOTSBHOMSA-N 448.615 4.519 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1749412634 ORLKTQPQBCLBOU-INIZCTEOSA-N 440.523 4.599 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1749429057 DQWDXAYTKLISGX-VNTMZGSJSA-N 429.609 4.594 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)nc1 1749528522 SYTAZXRAPMNAHE-UHFFFAOYSA-N 440.551 4.601 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCSC1 1749531160 CZEQZPKKSINUBW-NRFANRHFSA-N 435.622 4.748 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1749586905 ABXXPYFNXIVFKD-SFTDATJTSA-N 445.567 4.850 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(C)(C)OC[C@@H]1C 1760276011 QMNATBPHGDWDDO-KRWDZBQOSA-N 444.670 4.646 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760284119 GDYCPIZHRKRSGC-NQIIRXRSSA-N 426.630 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1N(C)CCCC1(C)C 1760289446 OUTBRFWATUKCBE-VMODYCNZSA-N 433.644 4.933 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1760302603 JJVHSAJXLAJNAD-UHFFFAOYSA-N 443.267 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(C)COCCO1 1760329724 ISXXLLCOPHTCMA-SANMLTNESA-N 449.599 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@@H](OC)C(F)(F)F 1760333585 ASTOJZIODBZGMJ-LJQANCHMSA-N 435.494 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1760340516 CNXYIOLDNQENOQ-UHFFFAOYSA-N 435.547 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](COC)C1 1760409287 PXEUXRLZCGJZOX-GOSISDBHSA-N 427.549 4.709 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1760444460 ICTDEHMGKAQKAZ-IBGZPJMESA-N 429.565 4.854 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([S@](C)=O)CCC1)C1CC1 1760469326 DPXVYDGTWPUCRN-PMERELPUSA-N 426.630 4.699 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1Cc1ccc(OC)nc1 1760485765 PTIKDFWSMJPAPX-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)CC 1760487694 BIHXZGZOFMTNFD-XMMPIXPASA-N 435.597 4.696 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760488804 GAYFTHGAMRXWEI-ZEVJAHDQSA-N 436.600 4.727 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccnc(OC(F)F)c1 1760494818 WAYANORTUQWEKM-UHFFFAOYSA-N 436.466 4.650 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1 1768989278 AJNIDVNNCDITAL-GOSISDBHSA-N 443.642 4.605 30 10 IJEE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751204 KKCFVJHSXZRBJX-UHFFFAOYSA-N 437.496 4.973 30 10 IJEE CCCOC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)c1 1858866393 SWTKYVVBMCHPAH-UHFFFAOYSA-N 430.464 4.743 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)cc1 1862417913 ARQHZFYRYYIABW-OAQYLSRUSA-N 439.414 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862421142 VFJURNYMZCZGHT-GAJHUEQPSA-N 449.453 4.875 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCC)c(OCC)c1 1862512540 STGOHBKZCYQHAE-JOCHJYFZSA-N 439.483 4.696 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862564766 IGUSDSDVTGJLME-HSZRJFAPSA-N 433.552 4.636 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1 1862680635 HAMZXWAQZWIPKG-SFHVURJKSA-N 432.289 4.823 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862701396 CZDVGJBMCRADQX-NRFANRHFSA-N 437.492 4.552 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(=O)O)cc2)c1 1862701636 JXTPNACBHCFNPN-GNSUPJDDSA-N 449.503 4.550 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)c1 1862749219 SJOGNTQYYNGKSD-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COc1ccccc1C1=C(Nc2cccc3cccnc23)C(=O)N(c2ccc(C#N)cc2)C1=O 1863059237 YONDYHJXMCAEGJ-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863101506 RDUJURSBXWECFS-UHFFFAOYSA-N 442.544 4.863 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCCCC)c2)=C(c2ccc(Cl)cc2)C1=O 1863172054 QTNQEWJUSPCCNG-UHFFFAOYSA-N 438.911 4.675 30 10 IJEE CC(C)C[C@H](C(=O)N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Br)c1 1867196887 DMPFSJKGIJNCGO-YWZLYKJASA-N 442.357 4.594 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(C)C 1868951044 YCILHBQYVNXBQY-BWKNWUBXSA-N 440.534 4.828 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@@H]2C)nc(-c2cccnc2)n1 1869365053 LFOCIVPLMAEDEP-IBGZPJMESA-N 427.552 4.849 30 10 IJEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870154602 ZRSJVSRBPLFFGX-UHFFFAOYSA-N 431.670 4.833 30 10 IJEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870809452 DAKKUMJNQKYRKI-UHFFFAOYSA-N 433.508 4.793 30 10 IJEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870809754 UBQIWZHPNRVISF-UHFFFAOYSA-N 433.508 4.853 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870812253 AAIJYKHQTBJHOG-UHFFFAOYSA-N 444.572 4.638 30 10 IJEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1871009026 ZYFQYKKRORVREO-UHFFFAOYSA-N 441.915 4.925 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871432554 CJEYJNMUDCHVIG-FAPYRAKZSA-N 448.874 4.751 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(C)(=O)=O 1872215837 RSAAPXMELCBHLO-WZONZLPQSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872238029 SAXXJAFAEFZONZ-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872431973 BPGKVDOAKKJQSN-LJQANCHMSA-N 444.597 4.803 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OC)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872582791 UDILQXVOCRGEQV-JPYJTQIMSA-N 444.597 4.542 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1 1872767409 ZSKNJLQWQAPLFZ-HNNXBMFYSA-N 430.316 4.723 30 10 IJEE Cc1ccc2nc(C3=C(N)N(c4ccc(OCc5ccc(Cl)cc5)cc4)CC3=O)[nH]c2c1 1873531254 IVXMPYIIPYXJAI-UHFFFAOYSA-N 444.922 4.820 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc2c(NCCOC)ncnc21 1873603538 GCWNLWLPHADJCB-UHFFFAOYSA-N 443.507 4.720 30 10 IJEE Cc1cc(OCCCC(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)cc(C)c1Cl 1873724650 SMVRWYOOHFIVML-UHFFFAOYSA-N 439.987 4.768 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(F)cc1 1874209730 SNPSVVRETPYRMI-LPYMAVHISA-N 431.334 4.931 30 10 IJEE CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc2c(c1)OCCO2 1874233523 NIKFUDYBEDQJQT-PCLIKHOPSA-N 430.533 4.592 30 10 IJEE CC(C)c1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCCO)cc1 1874281749 ZAVNSUBIAIOTST-BUVRLJJBSA-N 428.989 4.807 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCC)c(OC)c1 1874372335 UILWMJGQERMYKZ-PXLXIMEGSA-N 430.599 4.916 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(OC)ccc1OC 1874476046 AREOWIWZQXGLHF-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CCOc1cc(/C=N/n2c(COC)nnc2SCC)ccc1OCc1ccccc1C 1874499452 QQIIDMPAHDBRIU-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE Oc1ccc(Br)cc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C1CC1 1874517991 VCNWWWBHCUDUCK-LSHDLFTRSA-N 447.333 4.937 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nncn2/N=C/c2c(Cl)cccc2Cl)c1 1874536704 QJJSAKNZPCKFOK-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccccc3OC)cccc2OC)o1 1874577129 XRYWPTCUVYBLDR-WYMLVPIESA-N 436.460 4.949 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)cc2OC)CSc2nnc(C)n21 1874825887 KMEKSVZMKDXDTJ-IBGZPJMESA-N 432.590 4.666 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 1875129772 SQWOEDTXMDRHAX-IZZDOVSWSA-N 447.487 4.921 30 10 IJEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1C 1875150573 UPGRFMNNVBEKCY-XYOKQWHBSA-N 430.456 4.913 30 10 IJEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1945793908 DWFVGWVAMYEQPS-QFBILLFUSA-N 433.549 4.880 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C 1949547851 LMSFFKMVERVROD-YADHBBJMSA-N 434.621 4.836 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1962793691 CAEXNEFOPSSOTK-SJLPKXTDSA-N 437.378 4.812 30 10 IJEE C[C@@]1(C2CC2)CSC(=Nc2cc(I)ccc2Br)N1 2029954515 NGUFWIPHKYOHIP-ZDUSSCGKSA-N 437.144 4.546 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CN(C(=O)OC(C)(C)C)CC[C@H]1CC 2045214671 XJMFHVVUSPRPDC-UMFSSWHCSA-N 446.632 4.526 30 10 IJEE CC[C@@]1(Nc2cc(Br)cnc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2048692954 XGXIJIPSGHVGKF-OAQYLSRUSA-N 443.345 4.709 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(C1)CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2066138279 JICXKYOMSRHMBD-UHFFFAOYSA-N 448.568 4.997 30 10 IJEE CCCc1ccc([C@@H](n2nc(C)c(C=NO)c2I)C2(C)CC2)cc1 2080007699 WRIAHYWTPMAFME-QGZVFWFLSA-N 437.325 4.946 30 10 IJEE CCc1nn([C@H](CC)c2ccc(OC(C)C)cc2)c(I)c1C=NO 2080112659 HYKDEUXWEIOFSO-QGZVFWFLSA-N 441.313 4.645 30 10 IJEE Fc1ccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)c(F)c1 2080697481 GUMVSSCPYJOMLU-UHFFFAOYSA-N 442.047 4.928 30 10 IJEE N#Cc1c(C2CCCCC2)nn2c(O)cc(-c3ccccc3I)nc12 2080829095 GWXAIHSHKADAOG-UHFFFAOYSA-N 444.276 4.626 30 10 IJEE C/C(=N\C[C@@H](O)COC(=O)[C@H](CC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 2085667666 NVRJWPOZGIAWDU-IDTUVQPJSA-N 443.543 4.532 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2174769828 OAFTXXOYENQKMI-KRWDZBQOSA-N 440.357 4.932 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c2ccccc12 2180952129 GNUSSVSBEPBONA-SFHVURJKSA-N 431.330 4.848 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CCN2c1ccc(C#N)c(Br)c1F 2197339679 KUHZIMYVFMYTFY-VBKZILBWSA-N 438.341 4.734 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCCO[C@@H]1CN(C(=O)OC(C)(C)C)C2 2221331919 YQIYYWPZHHCXPJ-MVERNJQCSA-N 444.616 4.544 30 10 IJEE CC(C)[C@@H](CCCC(=O)Nc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C 2235331452 RQOCOXNUKIBVGU-MRXNPFEDSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C[C@H](C(=O)C#Cc3ccc(Br)cc3)C2)C1 2296221903 MWPRBCSZOQEBFL-PIIMJCKOSA-N 432.358 4.653 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296267894 YDGYUEOQNHRMTA-GSEOLPGOSA-N 433.390 4.567 30 10 IJEE C=CCOc1ccc(Cl)cc1C=C1C(=N)N2N=C(c3cccs3)SC2=NC1=O 2296661298 HOFLFCOCSHRQEF-UHFFFAOYSA-N 428.926 4.634 30 10 IJEE Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)cc1F 2297378423 OCLPZABLKCQTAR-UHFFFAOYSA-N 446.500 4.821 30 10 IJEE CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1 2297462728 COHDXUKTNDSKID-UHFFFAOYSA-N 433.327 4.787 30 10 IJEE CC(C)(C)OC(=O)NCCCCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317335009 AZZWRGCMKWRNSL-UHFFFAOYSA-N 432.370 4.800 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1O 2321395029 QXKLRYFORAVMEF-UHFFFAOYSA-N 430.961 4.870 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C=CC(=O)O)cc4)ccc3C2=O)cc1 2323603772 HTRHSLHKLZPEIE-UHFFFAOYSA-N 426.424 4.928 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)cc(C)c3C2=O)c1 2323627673 GVVYBTJIWZOVFQ-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1OC(=Cc1ccccn1)C2=O 2323914786 XKTHZIRMOULKOV-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2324197208 QMAYBQMRMMBXSG-SFHVURJKSA-N 433.479 4.987 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)NCc1ccccc1 2324261404 FLCFLMRUDHSWOE-UHFFFAOYSA-N 437.442 4.565 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2325630862 XRXDFMUKFXOTSC-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OCCN4CCCC4)cc(C)c3C1=O)cn2C 2325669162 KTEWFJJMMSPHGO-UHFFFAOYSA-N 432.520 4.586 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2N=Cc2ccccc2C)cc1 2328988717 GZKJXQASTDUCKX-QFIPXVFZSA-N 447.608 4.794 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1C 2330777828 SQBPCBAXXBANMT-UHFFFAOYSA-N 429.549 4.550 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccccc1F 2331695316 NLMSCJVPBSCDAX-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2C(C)C)cc(Cl)c1O 2331703111 AKVGEMSGRSDXBI-UHFFFAOYSA-N 430.961 4.986 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331708007 LQKVTCWFZKIDFQ-UHFFFAOYSA-N 429.373 4.882 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2334262457 RVFYUQVOOALAQZ-VDHDWPQNSA-N 438.421 4.513 30 10 IJEE C=C[C@@H](C)CCN(C)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2378199975 YPVQKTIVHZCPRD-OTYXRUKQSA-N 425.186 4.717 30 10 IJEE CCOc1ccccc1N/C(=N/C(=O)c1ccc(C)c(C)c1)NCc1c(C)nn(CC)c1C 32971751 NLCZQPZIHLUIIA-UHFFFAOYSA-N 447.583 4.933 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 34954355 TVYGNTGCIUTPSR-QLKAYGNNSA-N 433.416 4.727 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCOC)cc1 39912930 CYLUFLZCPMXJDX-OAQYLSRUSA-N 439.895 4.511 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccc(C)cc1 59021055 OWCXKDGOMCRSJH-QQXSKIMKSA-N 430.537 4.833 30 10 IJEE N#CCCN(C(=O)CCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)c1ccccc1 111192201 GJHKVKIFYVHRNV-UHFFFAOYSA-N 428.536 4.601 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)c1 169935142 GOAVWONHBNIDDJ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1C 169936540 SEFGGULMQUOGFA-DEOSSOPVSA-N 436.577 4.841 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccn2)c1 169990833 KKUUXAADJGBLDU-XMMPIXPASA-N 428.488 4.582 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccnc1 170006338 XKFSMFJZHXXWTR-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccnc2)cc1 170006885 WPGJTZBJJUPSBX-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170077823 ZZSLWKWSOPDHEQ-XMMPIXPASA-N 437.499 4.904 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)c1 170122353 SPLFSDKGLCGHOD-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccc(O)cc3)ccc2O1 170131809 QTQLIWFWSPFAAD-FATZIPQQSA-N 445.446 4.638 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)c1 170132797 MQDZCEIBONEXNJ-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccnc1 170189598 VJZICZKDPJKJNJ-XMMPIXPASA-N 440.499 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170239658 LFQNJKILWBOUDC-QHCPKHFHSA-N 429.447 4.934 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1 170251381 MAICKENUNNGHSL-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccco2)c1 170296351 PZCYOLXTOZUDJS-JOCHJYFZSA-N 447.487 4.692 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1ccncc1 170317329 LNLZOUYSUAEZHR-QVKFZJNVSA-N 446.528 4.553 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 170442562 RUCHMKKLTKFSQA-DEOSSOPVSA-N 437.536 4.531 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 216785042 CQZAGSAGVXRZNS-UHFFFAOYSA-N 447.413 4.569 30 10 IJEE N#Cc1cccc(NN=C2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2c2ccccc2)c1 252462098 PRXJIVLIFLEXLP-UHFFFAOYSA-N 448.511 4.901 30 10 IJEE COCCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)SC1=Nc1ccccc1 252629281 UCQDLXHUUUKMCC-FQGQUVFJSA-N 432.929 4.608 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1OC)NCC 407006319 WYUMFJGNFHFSTR-ROUUACIJSA-N 441.410 4.838 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N3CCC(c4ncc[nH]4)CC3)cc2Cl)c1 429073521 KCPHUFFGGVYGFB-UHFFFAOYSA-N 435.915 4.925 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C 439246082 KFDIDGZAMMVMNM-GOSISDBHSA-N 444.539 4.769 30 10 IJEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(Br)cc1 460563736 VITNNHZMOLBALT-APWZRJJASA-N 449.393 4.682 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 476122799 LQDVZRCNBQDTFK-LJQANCHMSA-N 432.520 4.566 30 10 IJEE CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCN(c2ccccc2F)C1=O 488016234 UDFDXKXVVZUJID-MRXNPFEDSA-N 448.338 4.741 30 10 IJEE C=CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 508797906 PTXIQADYHRBQDO-SFHVURJKSA-N 441.576 4.526 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2cccs2)C1 508917352 JFVPITUSCBIIOE-INIZCTEOSA-N 431.359 4.533 30 10 IJEE COc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 512642371 PAABOIPJZQXEPQ-VOIUYBSRSA-N 438.524 4.550 30 10 IJEE N#Cc1ccccc1-c1ccc(CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)cc1 523984071 GUXXHBXVPDMGTO-QHCPKHFHSA-N 435.405 4.735 30 10 IJEE C=CCC[S@@](=O)CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 526910897 OJBRXPRZHVSXFA-HHHXNRCGSA-N 425.959 4.509 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Br)c2)nnc1N1CCC(C)(C#N)CC1 555272297 LNXNNHLPRLOCJE-INIZCTEOSA-N 444.377 4.887 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@H](Nc4ccccc4)C3)n2Cc2ccccc2)cc1 558929073 SNSGGDZNAPHYFT-VWLOTQADSA-N 434.547 4.946 30 10 IJEE C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(-n2cccn2)cc1 561189365 GYUFSARXENMGGS-GOSISDBHSA-N 447.970 4.881 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@H]2CCN[C@@H](C(=O)/C=C/c3ccc(C(C)C)cc3)C2)cc1 585835493 SLRDAOHAGCXSBU-MJOHNVJBSA-N 446.591 4.601 30 10 IJEE N#Cc1ccc(CN(c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2cccs2)cc1 586221385 SIBJODPDNLIJSA-UHFFFAOYSA-N 438.452 4.914 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 726733078 PJZMIIWZTUQSBY-QGZVFWFLSA-N 447.516 4.625 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCO[C@@H](c2cccc(C#N)c2)C1 761758314 FQBXFBJRJZKOCO-FQRUVTKNSA-N 425.532 4.550 30 10 IJEE N#C[C@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1 765911932 JZSNEWGQXCKEKG-HSZRJFAPSA-N 448.906 4.688 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H](C)c2c(F)cc(OC)cc2F)nnc1-c1ccco1 767499544 JZQDUZZVBRDHNJ-ZDUSSCGKSA-N 449.479 4.798 30 10 IJEE COc1ccc(CNC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1C#N 771344781 UGDGOGHXLWNYOZ-GOSISDBHSA-N 435.471 4.585 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 789455029 HICVTZUHCDPUJL-NRFANRHFSA-N 434.584 4.562 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1)Nc1cccc(Cl)c1 1083918184 UBKLHUIQTAOYAQ-UHFFFAOYSA-N 436.928 4.788 30 10 IJEE C[C@@H](NC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)c1ccccc1 1084041556 UDKMPIPGRSBKIK-GFCCVEGCSA-N 449.367 4.527 30 10 IJEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 1084447744 VHOOWJCEDSOXGN-UHFFFAOYSA-N 428.484 4.778 30 10 IJEE C=CCN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)[C@@H](C)COC 1131090887 RRSPRFSTJROFKS-ZDUSSCGKSA-N 439.737 4.953 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC=C)C1 1131567052 AJASBEVZBSLGNQ-CQSZACIVSA-N 437.396 4.955 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCCC1(C)C 1139510886 HSKOGNVDJZVZLD-OAQYLSRUSA-N 430.545 4.833 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(c2cccc(F)c2F)CC1 1141069127 IZDMNMNAEDQGKW-UHFFFAOYSA-N 440.412 4.901 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1(C)C 1142722331 CVDDQDKSIJGGNN-LEWJYISDSA-N 434.540 4.723 30 10 IJEE Cc1nc(O)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1Br 1143634171 IEBPIUKWILJXQX-UHFFFAOYSA-N 438.281 4.561 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1149317355 JQVJAWYWUBJRFL-RCDICMHDSA-N 432.952 4.739 30 10 IJEE N#CCSc1ccccc1C(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 1176132695 BDGLDPGJTZSGFU-UHFFFAOYSA-N 443.572 4.844 30 10 IJEE C=C(Cl)C[C@H](Nc1nc(COC)nc2scc(-c3ccccc3)c12)C(=O)OCC 1187305635 FJIFQJPLFGZLRP-INIZCTEOSA-N 431.945 4.991 30 10 IJEE N#Cc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CC2)cc1Br 1205019524 BNWJDRLIHWFAPK-UHFFFAOYSA-N 435.119 4.894 30 10 IJEE Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)Nc2scc(C(C)(C)C)c2C#N)nn1C 1205528017 AJMAMLAEIIXIMR-UHFFFAOYSA-N 446.577 4.628 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3cc(C(F)(F)F)ccc3F)c2)s1 1209919009 DHYOIXXKHJGUAP-UHFFFAOYSA-N 440.443 4.923 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1251170148 XFZNJSCEZSDEBA-MOPGFXCFSA-N 449.320 4.865 30 10 IJEE C#C[C@H](NC(=O)N1CCC(N(CC)C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1252479795 SXUICIRIJFJHEV-IBGZPJMESA-N 437.943 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1286283739 UMTYSMPTEQULNU-AVCGJXAMSA-N 449.986 4.928 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286318770 WEDFWLCOORUKCU-LVCYWYKZSA-N 430.980 4.736 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1286337065 VQJVDFMZMYGZEY-OALUTQOASA-N 443.389 4.658 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(CCOC)CCCC1 1286360939 KWCLRFMOYSFESR-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(CCOC)CCCCC1 1286363931 VDPOVMKICBVXFN-LJQANCHMSA-N 428.552 4.614 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)Cc1cccs1 1286365784 JDQVWQNPAMCWQM-OAHLLOKOSA-N 429.387 4.717 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)cc1SC 1286452650 QKEANWFPURLTQF-TZIWHRDSSA-N 426.630 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCc1ncc(CC)s1 1286527897 LZYJBOYXMFGKEZ-RUZDIDTESA-N 433.625 4.707 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1286587445 JJDLRZQIVHBFIA-UYAOXDASSA-N 435.572 4.789 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1286633436 VOXWMILDCKNKPQ-HXUWFJFHSA-N 434.053 4.775 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286705718 HEYHXTCQMZOPTI-VGSWGCGISA-N 449.020 4.574 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1csc(C)c1 1286753743 HPPHDFIMODNJFO-UHFFFAOYSA-N 432.391 4.643 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1286825673 NVEYTHVKKOCHKK-GJZGRUSLSA-N 440.585 4.796 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cccc(C(F)(F)F)n1 1286960527 GQPDTYIPOIFCQY-CQSZACIVSA-N 440.429 4.749 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1289625364 UXFJNIDSGAKXKH-NRFANRHFSA-N 448.364 4.859 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C#N)CC1 1300342550 SGNDUQFCFGFCAK-UHFFFAOYSA-N 430.581 4.921 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1300351944 CYVUFHQWVXSDMA-UXHICEINSA-N 440.613 4.630 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1300367313 CHYDGCDWHQOACW-QFIPXVFZSA-N 435.597 4.787 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)C1 1300742758 UIJNEFTVLGPPLX-CYBMUJFWSA-N 439.810 4.574 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1300769190 BFZAIRVIKWCGDU-PMVMPFDFSA-N 438.641 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1300879134 AKMYGCJGLIPTNU-CEQIKUNHSA-N 427.499 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CC(OCC)C1 1300904769 GLSVGSSDRAYINC-UHFFFAOYSA-N 444.645 4.608 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300928628 JULZAPXHMOXVGT-TZIWHRDSSA-N 434.588 4.858 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC(C)CC2)CC1 1301127386 KZAVEWJVHCJXRV-UHFFFAOYSA-N 439.623 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1301137911 YIFMQZWKVUMTST-RTBURBONSA-N 442.007 4.699 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCSC2)C1 1301169617 CWBCDTNGNQEQLG-XMMPIXPASA-N 439.629 4.837 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1301306091 ZFUGGTQBHQRUDV-NFBKMPQASA-N 426.605 4.535 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCCN1CCCC1 1301359777 OYVRLRKXERRGDE-UHFFFAOYSA-N 425.577 4.824 30 10 IJEE CCCCN(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC2(C)C)CC1 1306679243 GFJCDQQBFFWRKL-QHCPKHFHSA-N 434.632 4.811 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 1311999044 FGDKMFSNGLYYOC-VWLOTQADSA-N 432.520 4.857 30 10 IJEE CN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1314791226 HNXZOUDODAATDF-UHFFFAOYSA-N 426.446 4.515 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@H](C)C1 1316091323 HBWMTESFPCEBCQ-RXVVDRJESA-N 433.556 4.807 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)C1 1316422294 GYICUKYLZONWKT-DENIHFKCSA-N 427.643 4.824 30 10 IJEE C=C(C)COc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 1352553716 ZGMIABGIQHLXPC-UHFFFAOYSA-N 428.488 4.810 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3Cl)c3ccccc3)cc2C1=O 1356431794 DLGKWBGNRZDIEO-QHCPKHFHSA-N 444.918 4.836 30 10 IJEE COc1cccc(C2=NO[C@H](C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)C2)c1 1358424198 BJOFBHILVLVHFF-VWLOTQADSA-N 443.478 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1cccnc1)C(C)C 1358990551 RPQSTXSVIFXVGD-JOCHJYFZSA-N 431.971 4.896 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1358998026 NJZGBILQCXJQOO-HKUYNNGSSA-N 448.464 4.753 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1359049332 MUPWDSBWLVCPKO-MOPGFXCFSA-N 430.593 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1359094354 ADXRDDLTKJNHGE-CECAUBDESA-N 441.526 4.740 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCSC2(CCOCC2)C1 1359204183 HIYBPVHQRXKARF-UHFFFAOYSA-N 426.630 4.636 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1359218782 VJCCXRFGSXXNIX-OAQYLSRUSA-N 449.624 4.543 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CC(F)(F)C1 1359224701 ZRRNTWJTOPHVLD-UHFFFAOYSA-N 428.886 4.812 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(OC)c3ccccc23)nnc1-c1ccco1 1361076462 QTRLHQNZFLEEMV-UHFFFAOYSA-N 435.505 4.974 30 10 IJEE C=CC[C@]1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1435175169 JHWBGRYTWPKAAO-RXFWQSSRSA-N 441.616 4.674 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C)C(=O)OCC 1462507197 QMKBRTGKYVIBOF-OAHLLOKOSA-N 426.460 4.765 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1 1462974174 JLCFQCSYUIVPCF-HXUWFJFHSA-N 448.563 4.823 30 10 IJEE COc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1C#N 1467164419 DTDCYPWAFCMCTC-OAQYLSRUSA-N 432.549 4.549 30 10 IJEE COc1cc(CCNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1 1469756058 GWJKQCPSMFZRQC-SFHVURJKSA-N 429.520 4.845 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1ccc(F)c(F)c1 1469857589 VYZHXXVMOBITPW-YPAWHYETSA-N 427.495 4.622 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 1476102534 FYQLVHHCDNZONH-QGZVFWFLSA-N 438.446 4.513 30 10 IJEE Cc1nccn1-c1ncccc1CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1476606511 HCQOQFZRGPWWHO-UHFFFAOYSA-N 440.532 4.920 30 10 IJEE C#CC[C@H](NC(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n12)c1ccccc1 1476656439 ISGLNDBMRWVTLW-IBGZPJMESA-N 444.926 4.948 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC)c1ccc(F)cc1 1477897634 BILWTYXGVARVAL-ILBGXUMGSA-N 448.494 4.615 30 10 IJEE COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1478475444 BDWQVVFFUJOSPX-PKAPICSWSA-N 448.567 4.835 30 10 IJEE Cc1nc(C)c(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(C)C)s1 1492656721 FETBKVJHGUYYSD-UHFFFAOYSA-N 438.601 4.527 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2C2CCCCC2)cc1 1497836026 GOLMELNINOVQHJ-GBXCKJPGSA-N 434.632 4.900 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1507556326 LCLPYKSICGFPNJ-UHFFFAOYSA-N 440.954 4.659 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)CC 1507564118 MYVOQSRVAQFKTK-IBGZPJMESA-N 431.625 4.678 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1507607414 USYDKMCMMCQWIQ-FXAWDEMLSA-N 445.405 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC1(COC)CCC1 1507770353 NAAFKQXFONKPLG-HSZRJFAPSA-N 426.992 4.721 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2Cc2cc(C)no2)CC1 1507877589 DFFNTAPJAUUCOU-UHFFFAOYSA-N 437.544 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCSC1 1507913113 XAVYXDYHVMCBOG-OAHLLOKOSA-N 438.439 4.590 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507956244 HAJINHIUJHMAIE-HXUWFJFHSA-N 438.551 4.617 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCn2ccnc21 1507986580 QHPQMGQTJWFGGO-OAHLLOKOSA-N 447.370 4.560 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508049977 OPZDKJIPQOYADH-HXUWFJFHSA-N 437.357 4.674 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2CCCC2)C1 1508131012 XXLFIJLHQGAIFN-IBGZPJMESA-N 428.602 4.551 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1508154654 ZNGGKWYOXFQDPF-PKTZIBPZSA-N 449.624 4.863 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)CC2)cc1 1538542915 CYGJEKXDNZCIHJ-UHFFFAOYSA-N 441.869 4.750 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1sc(C)nc1C 1538972757 LKQYIHDNYCQCGQ-GDBMZVCRSA-N 444.004 4.845 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1CSC 1539052132 MUUFXSUKGTYCCP-CQSZACIVSA-N 439.448 4.904 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(Cl)s1 1539159003 OXSFQTWZWPEOGE-UHFFFAOYSA-N 427.780 4.602 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2occc2COc2cccc(C#N)c2)cc1 1539197791 MOLXHTTXRVLPGM-UHFFFAOYSA-N 430.460 4.992 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1nccs1 1539377865 NZYFYUARWBWGGG-SFHVURJKSA-N 437.613 4.874 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1539504526 JADAJONOLQBDHT-SFTDATJTSA-N 426.630 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)c1ccccc1 1539546838 NMPQPJAODSHANP-HOYKHHGWSA-N 434.975 4.511 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1539594152 FVLFHGCVJSDTOL-HNNXBMFYSA-N 437.769 4.765 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1539896221 JSHMHJXNOJOUFW-UHFFFAOYSA-N 426.895 4.520 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN(C)C2CCCC2)CC1 1539897284 BHPUFODEWRIUJI-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1539919506 XCZHRMONVLAXTP-GJZUVCINSA-N 442.600 4.583 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(C)C)CC1)C1CC1 1540107020 GXYZBDHIEZWWBH-IBGZPJMESA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C(C)C)N1CCCC1 1540142082 HHVIUHHVWDEIIA-YADHBBJMSA-N 443.661 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1540177573 RSPICZORSSBDSL-IEBWSBKVSA-N 433.021 4.953 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2ccco2)C1 1540920258 SQJQAPUNNFSWEL-FQEVSTJZSA-N 438.597 4.980 30 10 IJEE C=CCNc1ncc(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)s1 1556519741 SXWSNTLCAHATHS-MRXNPFEDSA-N 449.418 4.519 30 10 IJEE C#C[C@@H](CO)NC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12 1556796126 PJIWOLFYBYNUJT-FQEVSTJZSA-N 442.465 4.879 30 10 IJEE C#CCN(C(=O)c1sc(-c2cccs2)nc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1558370187 JBUCYRSBYRNXEY-UHFFFAOYSA-N 445.610 4.655 30 10 IJEE O=C(CN(CCC(F)(F)F)CC(F)(F)F)N[C@@H](c1ccc(F)cc1)C1CCCC1 1559804923 BJZAFVJPSFGEEA-QGZVFWFLSA-N 428.392 4.990 30 10 IJEE CCn1cc([C@@H](C)NCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)cn1 1559835197 CZCYSSPZXQWYHZ-WBVHZDCISA-N 427.618 4.667 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 1561184046 WJSXQXNRJFQXBZ-UHFFFAOYSA-N 444.560 4.531 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Br)c3ncccc23)cc1 1563071760 QGYGFURBJINOEH-UHFFFAOYSA-N 440.301 4.949 30 10 IJEE C=CCSCCNC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 1564545831 UNEIDWCXFATEAD-UHFFFAOYSA-N 436.046 4.815 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 1586247310 QUSIBZCPNKDZGE-UHFFFAOYSA-N 449.894 4.802 30 10 IJEE C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 1587570375 HSHBIWZPHJGWKE-ZWKOTPCHSA-N 441.556 4.806 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cscc1C(F)(F)F 1587594050 RSOLTIBULLASIT-LLVKDONJSA-N 425.867 4.580 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC1(OC)CCC1 1588089384 KHXRSIGBODVCGS-UHFFFAOYSA-N 438.984 4.845 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCC1CC(OC(C)(C)C)C1 1588144171 VTPNDZUUYGIDFT-UHFFFAOYSA-N 439.003 4.579 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC[C@H](O)C1 1588288691 IIGRHUMZTATFJS-PXNSSMCTSA-N 438.572 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCN1CCCC 1588301779 BLHBIRXJOCPCBE-OAQYLSRUSA-N 432.616 4.551 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCN(C(C)C)C1 1589242975 ROWMRRJJXASSMW-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](CN3CCC(C)CC3)C2)nnc1C(C)(C)C 1589577145 ADQSBTFWEMLGFP-VABKMULXSA-N 443.680 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNC(=O)C(C)(C)C 1589608727 MXRZEYWTNZQPSN-QGZVFWFLSA-N 443.661 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1589626586 YIRLRXWWRXIXDD-QFIPXVFZSA-N 435.572 4.786 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1593711999 OIXDPRSHYORXKJ-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[S@@](=O)C(C)(C)C)CC1 1594014219 QKVGIKDAHVMUJG-PKHCJMHPSA-N 444.645 4.739 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1594713561 FQIWGYDNOYOUOH-VQIMIIECSA-N 430.478 4.732 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1snnc1C 1594906744 LAGQVEHIBRSGIM-UHFFFAOYSA-N 426.546 4.643 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1CCc1cnc2c(Cl)cnn2c1 1595109322 WTCFJLMCGMMLKV-SFHVURJKSA-N 449.990 4.923 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCCN1CCCC[C@@H]1C 1595127117 FRPGOZKAAODRRZ-NRFANRHFSA-N 448.590 4.936 30 10 IJEE C#CCN(C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C1CCN(C(=O)OC(C)(C)C)CC1 1596142592 YNEFSWFPGDZQKC-SFHVURJKSA-N 449.595 4.768 30 10 IJEE C=CC1(CC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CN(C(=O)OC(C)(C)C)C1 1597163994 VUCXRFPQFXYNQY-UHFFFAOYSA-N 439.512 4.592 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1597191829 WBOBQGFBOIAKGM-QFIPXVFZSA-N 440.609 4.557 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1)OCC 1611078026 SWDBPXABMRUWMM-ILBGXUMGSA-N 426.988 4.945 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCCC2)C1 1612740961 CZEUAMZENVIUCK-PQNGQFLHSA-N 434.632 4.954 30 10 IJEE C=CCN1[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@]2(C)C(=O)CCCC[C@H]12 1615772693 RRHXVEFCENAIFY-YGWSKSRPSA-N 426.601 4.901 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccc(F)cc4)cn3)n[nH]2)c1C 1616405770 LUTTTXQHOGWQIV-UHFFFAOYSA-N 432.459 4.655 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 1621968184 ZLSHVZGTRKVTAH-INIZCTEOSA-N 425.381 4.669 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)n[nH]2)c1C 1625166385 IZEKHNZKECXRND-JOCHJYFZSA-N 435.528 4.796 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)c1 1627444970 LPUDKAPVSPKQEW-LJQANCHMSA-N 433.529 4.767 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 1628489861 LWOSJIAALIFHNH-QGZVFWFLSA-N 431.492 4.991 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 1629832763 URTWGPMYMUYWCZ-ICSRJNTNSA-N 442.044 4.525 30 10 IJEE C=CCC[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 1633471373 PQCWFSQUCIRBEI-LEWJYISDSA-N 431.458 4.959 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 1635810741 SRKYGYAGWHGYHG-LJQANCHMSA-N 426.517 4.765 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)CCCC(=O)Nc1ccccc1C#N 1637863040 AUCMGFTYWPCJDX-UHFFFAOYSA-N 440.475 4.792 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 1638134952 QMWAQZXUFCMXKC-FSPWUOQZSA-N 448.407 4.999 30 10 IJEE C=CC1(CC(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)CN(C(=O)OC(C)(C)C)C1 1643801949 QRLJUBSPCSANGR-JOCHJYFZSA-N 442.600 4.600 30 10 IJEE C#CCN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1644787850 HBWGFKLPBLNSDR-UHFFFAOYSA-N 444.881 4.834 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCSc1nccs1 1649538402 QLOSPBQCUDZACL-GOSISDBHSA-N 437.638 4.845 30 10 IJEE C=CCn1c(SCC2(CC(=O)OC)CC2)nc2scc(-c3ccccc3)c2c1=O 1651637575 GMJAEFZMFBYGOQ-UHFFFAOYSA-N 426.563 4.746 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](Cn2cccn2)c2ccccc2)cc1OC 1657266512 RVMWDHRSBBUXML-HXUWFJFHSA-N 442.357 4.750 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1cc(Br)cnc1OC 1659427008 GUKAZHJEBLWQBQ-UHFFFAOYSA-N 428.124 4.792 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C)C[C@@H]1c1ccccc1 1662573949 RRBDCPDALSHOSF-LJQANCHMSA-N 430.346 4.535 30 10 IJEE CC(C)(C)OC(=O)c1c(F)ccc(NC(=O)N(CCC#N)Cc2ccccn2)c1Cl 1663793913 FTASOUMFJGYLCV-UHFFFAOYSA-N 432.883 4.777 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)cc1OC 1664320125 GSYIQOYGRBNRNL-LJQANCHMSA-N 438.996 4.991 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)cc2)cc1 1668491517 ATXXRRJNODCWTM-QFIPXVFZSA-N 426.520 4.994 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCCC[C@H]3c3ccc(Cl)cc3)CC2)cn1 1672633009 BLQTVUQUJXAMFT-GOTSBHOMSA-N 437.975 4.555 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2cccc(F)c2F)CC1)c1ccc(Br)cc1 1674031356 SNSAKPWGPVUSFW-LJQANCHMSA-N 433.296 4.991 30 10 IJEE C#CC1CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)CC1 1675936658 LSNLVGIXEHAAAN-QFIPXVFZSA-N 439.650 4.624 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC)c1ccc(F)cc1 1676068088 AUHDMHFTCZRXMT-RTWAWAEBSA-N 435.465 4.901 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)[C@H]1CCCc2ccccc21 1676665457 OOHPBGOTNFNVGP-GOTSBHOMSA-N 434.490 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1681943423 JGNGLWLVUVFMNJ-UNMCSNQZSA-N 443.588 4.904 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 1686700639 HWWIIHFCTQRDEH-LGPLSSKUSA-N 430.596 4.770 30 10 IJEE C=CCOCCCNC(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1687074619 MZJRVYPSVURMPP-QFIPXVFZSA-N 431.374 4.799 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1690173072 VGZNOUDNQMROKK-GOSISDBHSA-N 429.659 4.876 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1690253333 OYVBIHVNMHNGEG-AYMMHLMVSA-N 430.980 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCS1 1690254959 LQTRADWDSCDFBF-FQEVSTJZSA-N 427.618 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1ccccc1Cl 1690259561 NRVWVYAJNPFWGC-JOCHJYFZSA-N 446.382 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CSCCS1 1690262471 BFAMAPWIAUBLOS-SFHVURJKSA-N 441.626 4.851 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690276262 TUXRGKLEJMUQQK-SFTDATJTSA-N 439.604 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1690419653 YBIHZIXDQVEEAA-UHFFFAOYSA-N 448.615 4.981 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690455328 GZISPDRHPCTFHR-KKSFZXQISA-N 430.980 4.967 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@H]1C(C)C 1690560049 OHUSVEXGQRLAGN-VWNXMTODSA-N 435.616 4.992 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1cccc(F)c1F 1690577032 AHZWULFTWLZHNM-QGZVFWFLSA-N 430.524 4.557 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@](C)(O)CC)C1 1690687594 FELOMWXBZNINMO-QRQCRPRQSA-N 447.004 4.756 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690738113 GBXCRLGLHZNRJI-XJKSGUPXSA-N 446.926 4.674 30 10 IJEE CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F)C1CCCC1 1692406959 AWLZEDWSYOBHBT-UHFFFAOYSA-N 448.537 4.716 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCOC2CCCCCC2)cc1 1693128379 BEIIODXTQGJMGN-FQEVSTJZSA-N 425.577 4.501 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)C1 1693662732 AYWBVYOFBYUWIB-KHCICDEESA-N 441.023 4.849 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1695087115 ARICOJLDQCFDSF-WYRQLCSISA-N 437.588 4.559 30 10 IJEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1698491416 AQNKVKGPPNMFLM-RTBURBONSA-N 432.494 4.688 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705484635 SLRJWJWNEOSDFE-FENNVDPPSA-N 433.383 4.651 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705518347 KOFLOBHLKTYQOE-JOCHJYFZSA-N 447.558 4.563 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CC(C)C)CC1 1705545390 XXWVAFVMJKHJGF-UHFFFAOYSA-N 431.378 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCc1ccc(Cl)s1 1705586994 DSERKLNRAFYCCB-UHFFFAOYSA-N 441.025 4.909 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1705604617 PTSSRUAMKSZOSP-QUCCMNQESA-N 445.007 4.963 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705706005 OHVXHNIBQKKZSH-FQOCKNPQSA-N 430.637 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(C)C)C1 1705709370 OBTJKUPDRVQBTH-FBLLAGFSSA-N 438.616 4.937 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705800157 PWKXPDJAQYWMNK-HSALFYBXSA-N 427.568 4.586 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@H]1CC 1705801911 VUYIGFQRTGSWAO-IEBWSBKVSA-N 444.649 4.528 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705838897 HBLMNSZFQHUDLF-REPLKXPHSA-N 428.577 4.568 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC1(OC)CCC(C)CC1 1705881917 GEDRRFWGRLUEST-UHFFFAOYSA-N 432.996 4.833 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(N(C)Cc3ccc(C#N)cc3)nnc2C(C)(C)C)C1 1707960808 HDTVHHKLVLJBER-WOJBJXKFSA-N 436.648 4.840 30 10 IJEE CC1CCN(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H](C)CC#N)CC1 1708141340 BWQFRVLSHCEYDA-MOPGFXCFSA-N 445.011 4.542 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(C)C)CC1 1722311517 WOJMLTAUTAOVEP-UHFFFAOYSA-N 432.410 4.722 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCCC(F)(F)C1 1722378476 PIFUDLNSBBZFQU-IBGZPJMESA-N 433.506 4.782 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(OCC)CCCC1 1722408021 XATDQCLTTMENMI-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1722575484 LETRWQWAWCLSCS-UHFFFAOYSA-N 448.880 4.858 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2conc2COC)CC1 1722575672 RMHBKAKGOGSWHY-UHFFFAOYSA-N 448.354 4.837 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OCC2CC2)C1 1722590708 ACJCBVWDCXMUPF-FQEVSTJZSA-N 429.634 4.632 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)cs2)CC1 1722604594 GBVIQCSNTALNEL-UHFFFAOYSA-N 436.629 4.625 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1722604714 JASSKZGIUKKCQN-UHFFFAOYSA-N 439.604 4.682 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)Cc1ccccc1F 1722618914 WZYOJCUKXHFKTB-UHFFFAOYSA-N 449.578 4.584 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1722645411 LYAHWGCJPWNBTN-MSOLQXFVSA-N 445.558 4.822 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1csc([C@H](C)OC)n1 1722655582 ODJOTLHTADBLHU-KRWDZBQOSA-N 436.585 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCC1(OC)CCC1 1722666578 QEPSDVGOWYUVOP-UHFFFAOYSA-N 431.378 4.845 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCC[C@@H]2CC)C1 1722713450 BOBGJVXZCNJJOS-PMACEKPBSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1722733817 NJXIMGQYYFCCNO-SFHVURJKSA-N 426.348 4.613 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1 1728461576 ASJLNCDBTJNUBS-UHFFFAOYSA-N 448.571 4.795 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCCc1nc(C)cs1 1740602098 QANAUCTXVUXWNU-UHFFFAOYSA-N 444.402 4.565 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)SC)CC1 1740820757 PYIINNRWGCPYJS-CYBMUJFWSA-N 425.371 4.755 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nc(C)c(C)s2)CC1 1740843006 UTLJUBCGSNPWBU-UYAOXDASSA-N 429.634 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](OC)C1 1740851683 AMAHBOCFVNTZKZ-MRXNPFEDSA-N 439.387 4.991 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740862995 LANOYSUOEGSLJL-NRFANRHFSA-N 434.588 4.684 30 10 IJEE Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)n1 1742347644 AKVCOHQFQJNLNU-SFHVURJKSA-N 438.963 4.585 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(F)(F)F)cc1 1746838352 DOIHUFBKJMZVQG-FOIQADDNSA-N 437.466 4.509 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 1748698031 BVJLEPRWCMPMJQ-NQIIRXRSSA-N 428.552 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)cc1 1748902373 NFEWNVCUTCSVNC-FGZHOGPDSA-N 439.003 4.556 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1748935817 BENWUFLLIDMEGE-UHFFFAOYSA-N 446.643 4.568 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC(CC)(CC)SC 1748944853 HFBMREZRNNYCRY-HXUWFJFHSA-N 444.620 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCC1(O)CCC1 1749059996 HPNWWVNPJYATPN-RUZDIDTESA-N 436.600 4.667 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)C(C)C 1749122596 YJCNGWBZKREZPN-RHSMWYFYSA-N 439.423 4.985 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 1749253137 XPVZTOXONXYBGT-WBVHZDCISA-N 425.360 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1749296465 NZGCWWOWKJFOLR-IBGZPJMESA-N 425.577 4.605 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(N(CC)CC)nc2)CC1 1749312445 KNXAVHAUOWCNCQ-UHFFFAOYSA-N 446.599 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1749471972 VWSCJAZJWFSLMG-MRXNPFEDSA-N 433.984 4.866 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1749527897 VTMSBPDTEUAZEH-JOCHJYFZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1 1749528511 SNSCEDBMNPVWEU-OZXSUGGESA-N 447.583 4.889 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(COc2ccc(Br)cc2)n1C1CC1 1749589613 DLCAQVKODHYSHX-UHFFFAOYSA-N 443.345 4.783 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1N(C)CCCC1(C)C 1751090311 ASKZTUIMNONKCW-DNVCBOLYSA-N 432.975 4.596 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@@H](C)C1CCC1 1760161858 MUONVNLGHGXWNP-FPOVZHCZSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(SC)CCC1 1760210564 TXAGUVKPPZDDJL-NRFANRHFSA-N 436.625 4.784 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCc1cc(C(F)(F)F)ccn1 1760241360 XICCDVJKCUZBPP-UHFFFAOYSA-N 443.448 4.591 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1Cc2ccccc2C1 1760302458 DUFAQDOUPLTOOA-UHFFFAOYSA-N 444.764 4.506 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cnn(CC)c1 1760340517 COXRZOXTLYCQPE-UHFFFAOYSA-N 449.386 4.831 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCOC[C@@H]2C)CC1 1760386473 ZSXCFCSYMOGWAB-DLBZAZTESA-N 431.378 4.537 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)[C@@H](C)CC)CC1 1760393473 RIXQGPGKVGCLIS-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCCOC 1760408708 FIYQHUSKDKHSKG-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](COC)C1 1760408913 IUCQWGKMFIPWRE-LJQANCHMSA-N 444.645 4.729 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760433805 MOUBLUBFCWOITC-GJZGRUSLSA-N 437.407 4.883 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCc1cccc(C)n1 1760491083 SITRKCWKEYQFKU-UHFFFAOYSA-N 438.373 4.832 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@@H](C)C1 1760562146 YGADAJRILZUAEW-KRWDZBQOSA-N 448.658 4.602 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1762878740 BQPCIOSZOFOURD-ZFGGDYGUSA-N 434.632 4.810 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H](C)C#N 1764143374 CQKBMNIUCLABHZ-HKUYNNGSSA-N 447.002 4.988 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1CCc1cccs1 1771099283 DJBGCMXFDRTUSI-UHFFFAOYSA-N 447.564 4.675 30 10 IJEE COc1ccccc1C=NN=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccco1 1772756859 FNGOCYJNVYAQNV-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)c1cccc(C#N)c1 1858724904 ZENSWYXIOHXARW-KRWDZBQOSA-N 442.519 4.736 30 10 IJEE N#Cc1c(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)oc2c1CCCC2 1859755856 DOSXNGLCQFDEQF-UHFFFAOYSA-N 447.672 4.805 30 10 IJEE C=CCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(-c3cccc(OCCC)c3)[nH]c2c1 1860957464 VBCCHYKKWYUVBM-JOCHJYFZSA-N 448.567 4.610 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1OCC(C)C 1861359712 XYEUJEWDFCDUHB-GGAORHGYSA-N 446.632 4.554 30 10 IJEE C=CCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 1861429998 RKVOJPLGNNPLGR-AREMUKBSSA-N 426.520 4.584 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862392416 XKKJUMSNAQXICA-HSZRJFAPSA-N 435.520 4.961 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862417553 UIWNEALTHUDLLX-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Cl 1862433209 XHYTZUFBUDRZDR-LJQANCHMSA-N 434.319 4.998 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1CCCOC(C)C 1862456460 SAMRHRFIBQZBAK-NRFANRHFSA-N 447.453 4.806 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862510508 AMZFYOTZAYUBGQ-CWTRNNRKSA-N 447.890 4.879 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862624045 YQMBFQOCXSQMDX-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862683234 WZPZXABNGKCMOD-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)c1 1862699324 SKWQAWYGKAZPGK-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2c[nH]c3ccccc23)C1=O 1863129027 SSIFCLBMKUWAEQ-UHFFFAOYSA-N 448.482 4.753 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c[nH]c3cc(C)cc(C)c3c2=O)c1 1866414059 MPACNYXZEJZRRQ-UHFFFAOYSA-N 435.483 4.808 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccc(C)cc2)n(-c2ccc(C)cc2)n1 1870001242 VKAUVWFEUXMALE-UHFFFAOYSA-N 445.567 4.860 30 10 IJEE Cc1ccccc1CCC(=O)Nc1c(C#N)nnn1-c1cccc(OCc2ccccc2)c1 1870151692 GZQPHUSEFVHQNO-UHFFFAOYSA-N 437.503 4.598 30 10 IJEE C=CCOc1cn(CCOC)c(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 1870244066 XJANXSYIDCJYMA-UHFFFAOYSA-N 447.560 4.691 30 10 IJEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CSc1ccc(Br)cc1 1870293113 IGQTXVGJKTWCMR-UHFFFAOYSA-N 438.387 4.893 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CNc2cccc(C)c2C)cc1=O 1870813180 AEDSSEAEAPJZHP-VWLOTQADSA-N 447.579 4.651 30 10 IJEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(N2CCC(C)CC2)cc1 1870986707 HINUDLNRCFEQQW-UHFFFAOYSA-N 439.600 4.687 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccco4)c3C)C2=O)cc1 1871369804 ZENKXOLTOZCFGR-HGKZOJRLSA-N 430.412 4.610 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Br)c(C)c2)[nH]1 1871581999 HQZJTXSMDKHGOB-UHFFFAOYSA-N 445.409 4.744 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)nc(Nc2ccc(OC(C)C)cc2)[nH]1 1871722699 RWRUIXOSMDBLIU-UHFFFAOYSA-N 444.583 4.923 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872248636 LZONNOZRNRLYTM-JOCHJYFZSA-N 446.638 4.549 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)c(OC)c1OC 1872787934 BITLOFRALDPAHU-GFCCVEGCSA-N 448.422 4.743 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccccc3OC)cc2[nH]1 1872805093 CKQCYTAYSMVIMK-UHFFFAOYSA-N 429.476 4.968 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OC)c(OC)c1)n2CC(C)C 1873656750 KJTROFNVILVBKM-UHFFFAOYSA-N 449.555 4.535 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874215395 KQJGEEQRPDLYKR-FSJBWODESA-N 429.977 4.797 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874376102 FNSFFLZTFZWZBC-FSJBWODESA-N 432.908 4.536 30 10 IJEE CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874377241 MGKAAPZWFGEWNN-WGOQTCKBSA-N 446.507 4.831 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc(F)c1 1874436749 PNFIFDAENXYMQS-DHRITJCHSA-N 443.523 4.758 30 10 IJEE CCCOc1c(/C=N/n2c(S)nnc2COc2ccc(CCC)cc2)cccc1OC 1874567014 ZZPXZWCWJALHCY-BUVRLJJBSA-N 440.569 4.778 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1OC 1875099517 MDLBGNQXJOHDTD-RMKNXTFCSA-N 445.493 4.557 30 10 IJEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)ccc1F 1875142388 ZIFSXCFXHCBFJP-FARCUNLSSA-N 449.390 4.886 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCc3ccccc3C)ncnc21 1875229796 GCPSQMPDHPYRBM-UHFFFAOYSA-N 425.536 4.810 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1885415966 SOWDHQVOMSCKEF-UHFFFAOYSA-N 431.879 4.689 30 10 IJEE COc1ccccc1OCC#CCNC(=O)Cc1cc(Cl)ccc1Oc1ccccc1 1891674289 GONOGIVEKRNOLI-UHFFFAOYSA-N 435.907 4.882 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(F)c(Br)cc2F)C1 1894894869 KFBYDXXWOWJBQA-MRXNPFEDSA-N 431.321 4.991 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCCCC[C@H]1NC(=O)OC(C)(C)C 1922058294 VTMBEASYWGTRKX-MVERNJQCSA-N 446.632 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](Cc1cncs1)NC(=O)OC(C)(C)C 1922091375 IWKDQUHWTMYGAZ-VXKWHMMOSA-N 445.629 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C=O)Cc1cc(Br)ccc1Br 1982460487 UYLRUWFSNSYIGD-KRWDZBQOSA-N 447.167 4.723 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 1991580957 IEJJJOISYFDKNI-OALUTQOASA-N 425.614 4.521 30 10 IJEE C=CC1(C[C@@H](NC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 2002630348 MPAMRQFDCFOBIC-JOCHJYFZSA-N 427.633 4.880 30 10 IJEE Cc1cc(Br)c(NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)cc1Cl 2082792811 ZBKNCSCUBYEVCA-UHFFFAOYSA-N 429.742 4.656 30 10 IJEE Cc1c(Cl)cc(CN2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)cc1Br 2111258349 HHWJRFFCMXEWRD-ZIAGYGMSSA-N 426.591 4.935 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Br)cc(OC)c2)C1 2136320239 NNCDATDQPRJUPP-KRWDZBQOSA-N 425.367 4.722 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2136322105 BDCABIWDVBBQQL-ZWKOTPCHSA-N 427.383 4.968 30 10 IJEE C=CCN(CC(=C)Br)[C@@]1(CN)CN(Cc2ccccc2)C2(CCCCC2)C1 2156289541 UQFFZLDDCRHOOL-QHCPKHFHSA-N 432.450 4.689 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2cccc(Br)c2C#N)(C(F)(F)F)C1 2167679262 SRGVFQHVVUVWFG-KRWDZBQOSA-N 448.283 4.922 30 10 IJEE COc1cc(Cl)ccc1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172630794 SRLXBXHCAMVASD-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE C[C@H](C1CC1)N(CCC#N)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2181047453 VCNPLSVFPIZTEV-CYBMUJFWSA-N 436.350 4.950 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2cc(Br)ccc2C#N)CCCCC1 2181133494 UIYYPFSHAKCXLB-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181147574 SMXVSYUAFGRLQU-QRWLVFNGSA-N 436.350 4.733 30 10 IJEE CC1(C)OB(c2cscc2CN2CC[C@@]2(C)CCOCc2ccccc2)OC1(C)C 2214595087 GBOSVJWMCHDSCG-DEOSSOPVSA-N 427.419 4.619 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CCC 2224254441 WKNDDBURTZBZOY-RHSMWYFYSA-N 429.403 4.566 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CCC 2224254442 WKNDDBURTZBZOY-WMLDXEAASA-N 429.403 4.566 30 10 IJEE COc1cc(Nc2ccc(I)cc2Br)ccc1C#N 2226049780 JHVUMVKAEWNZFE-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2232467222 NEJDIJRWCMFGDK-CRAIPNDOSA-N 441.414 4.574 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2235729788 NOSLOOWCLRCHQI-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C1(CNC(=O)OC(C)(C)C)CCC1 2235748076 WHRVKGIQJFGOTN-LJQANCHMSA-N 435.406 4.864 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(CCCN(C)C(=O)OC(C)(C)C)OCCC(=O)O 2252114830 RBSQXPKQKBHIBM-XMMPIXPASA-N 435.561 4.657 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2260362735 IIQKHBJKJUMSCL-FXAWDEMLSA-N 447.450 4.865 30 10 IJEE CCN[C@@H](C#CC1CCCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2260993786 ZZVQGVXZUAAIRV-RPLLCQBOSA-N 439.644 4.718 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCC(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2262200212 PDVOBYXOKFEZGR-TYBLODHISA-N 447.572 4.703 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c2ccccc21 2267096834 LRYIDJAAGCUWFP-DLBZAZTESA-N 442.365 4.647 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 2296098885 LDQFAHIFZOKZJH-HSZRJFAPSA-N 428.488 4.805 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2304614444 VRAZWHRHDOIOBB-TYBLODHISA-N 428.573 4.698 30 10 IJEE O=C1C(=Cc2cccs2)SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 2314841336 VPRYJTJDMSYDIH-UHFFFAOYSA-N 438.490 4.756 30 10 IJEE CCN[C@H](C#C[C@@H]1CC1(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2317330882 QQQDCMJNZBCBAL-AZSVPQILSA-N 440.628 4.858 30 10 IJEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C[C@@H]3COc5ccccc5O3)C4)C2=O)o1 2322436936 NMSMHNKIQSMTCA-LJQANCHMSA-N 445.471 4.505 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1OC(=Cc1cccnc1)C2=O 2323303016 YHFHJBADIVLTOZ-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE COc1cccc(C=NNS(=O)(=O)c2ccc(C)c(C)c2)c1OCc1cccc(C)c1 2323399932 LPBRJOASASPCGY-UHFFFAOYSA-N 438.549 4.512 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 2324781235 WFUXZSNXCZYPBK-NRFANRHFSA-N 435.476 4.825 30 10 IJEE O=C(C=Cc1cc(Br)c(O)c(Br)c1)c1cccc([N+](=O)[O-])c1 2325789613 NDYRJTRKYNYAQA-UHFFFAOYSA-N 427.048 4.722 30 10 IJEE CCCOc1ccccc1C=CC(=O)NC1CCC(OC(=O)c2cccc(C#N)c2)CC1 2325807510 VKNBFXULLLNPBY-UHFFFAOYSA-N 432.520 4.645 30 10 IJEE CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1c[nH]c2ccccc12 2325925622 ZFHOFAPDIWLFTJ-UHFFFAOYSA-N 426.343 4.717 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(Br)cc1 2328471603 UJTZGDBEMSZAJF-UHFFFAOYSA-N 446.330 4.534 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2N=Cc2ccc(Br)cc2)cc1 2328561487 ZWAQXCXCNIZSCV-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H]1CCCO1 2330893243 XQSGBBXGKKXLAW-NRFANRHFSA-N 449.580 4.668 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2[C@@H]2CCCO2)c1 2330911463 PZWTUQFUMTWOJY-NRFANRHFSA-N 449.580 4.668 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 2331066063 LCEVXHBKHHKKFP-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)NCc2ccccc2)nnc1C1CCCC1 2331100393 YUJRBBCGNUUWGT-UHFFFAOYSA-N 439.610 4.596 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccc(C)c1 2331349379 OJRJOIQHZUCBAH-LJQANCHMSA-N 435.597 4.781 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(F)c2)cc1C 2331364404 BXAGSORPHAEKDD-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE C[C@H]1C[C@@H](N(C)c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339539389 HALDFGANKZMRSY-NZQKXSOJSA-N 433.405 4.825 30 10 IJEE CC(C)(C)OC(=O)NCC1(CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339601083 WEMBWEPJAJQQQV-GXDHUFHOSA-N 444.381 4.800 30 10 IJEE CCCCC#CC[C@@H](OCCCN)c1sc(Cl)cc1I 2366685504 JNZZHQAEPWSFGF-CYBMUJFWSA-N 425.763 4.996 30 10 IJEE Cc1cc(CN2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369738134 GXCPHUQGJDZLSM-WMPKNSHKSA-N 446.444 4.533 30 10 IJEE COc1ccc(/C=N/Nc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)cc1OC 20258853 HOWNINPBZOUVBE-ZVBGSRNCSA-N 438.340 4.867 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2cccc([N+](=O)[O-])c2)=C(/S)NCCc2ccccc2)cc1 22735015 JPBXPFFWUXAKJN-UHFFFAOYSA-O 448.568 4.606 30 10 IJEE N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)cc1 34735452 CELCKJBDFDRGQE-UHFFFAOYSA-N 430.533 4.633 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 41501917 FPFHFAKOVLASPG-XKZIYDEJSA-N 445.427 4.885 30 10 IJEE CN(C)c1ccc(/C=N\N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 47139219 HGFFKCUITZYALW-DOPZRVNGSA-N 448.523 4.991 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1c(C)cccc1[N+](=O)[O-] 100149445 UVUUFMAJUKIHEJ-CLCOLTQESA-N 434.481 4.526 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccccc1 170048460 LRFCYDIUEZXHLS-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12 170076524 JADSJCUKMVAQNL-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccco2)c1 170090295 LUELDTUZVBKPGH-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1c(C)[nH]c2ccccc12 170104368 HNKAKAQNSKQXHR-OAQYLSRUSA-N 438.911 4.745 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(C)c1 170139301 KTDVAUDXPMZBEM-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143467 SFNAWOJEEJPJDA-FYYLOGMGSA-N 435.520 4.540 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)c1 170144543 APFDAXSJBSQOAX-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(OCC(C)C)cc1 170167522 IIDSPTMDACHMJN-JOCHJYFZSA-N 441.499 4.857 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)ccc1Br 170181935 GPYMBTYFQQYRRK-IBGZPJMESA-N 441.325 4.673 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccncc1 170204862 KNJGJCRHHKXHST-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccncc2)cc1 170206019 NJPXYAFAAASQID-DEOSSOPVSA-N 431.451 4.889 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)cc1 170224229 WNJVPCIOTLDDFE-XMMPIXPASA-N 441.483 4.803 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)cc1C 170227883 LIYXCWKGNLNVLU-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1 170236775 CMVQWJKKQGMTTH-HXUWFJFHSA-N 427.884 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 170254234 HCOJTMDKHNBNOA-QFIPXVFZSA-N 439.427 4.859 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C)o2)c1 170299917 COTOYGLLTUSYBW-HSZRJFAPSA-N 445.471 4.759 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(C)o2)c1 170300107 SZEQDEKZDYISMQ-QFIPXVFZSA-N 431.444 4.716 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1cccc(O)c1)c1ccccc1 170384663 WYWVUYMATGCVTP-DEOSSOPVSA-N 440.499 4.775 30 10 IJEE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]2CCCC[C@@H]21 195548359 GQYGTAFSWQBURW-NQERJWCQSA-N 437.927 4.632 30 10 IJEE CSc1nc(-c2cccc(Cl)c2)c(C#N)c(N2CCN(Cc3ccccc3)CC2)n1 243996844 SFZFCLXYVVGAHX-UHFFFAOYSA-N 435.984 4.713 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C/c3ccc(OCC)c(OC)c3)C(=O)N2C)cc1 252608687 HMVSIQGQZMLRNC-ZOAXWHFDSA-N 440.521 4.504 30 10 IJEE CCCCCOc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)CCCC4)C2=O)cc1 261526942 QYZJDANGWJLEHN-QFIPXVFZSA-N 449.576 4.825 30 10 IJEE CC1(C)OB(CCC[C@H](N)c2cc(Br)cc(Br)c2O)OC1(C)C 383704663 REXDTNIWJIRVJI-ZDUSSCGKSA-N 448.992 4.789 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCCC 407416747 OFPHYTWRUJLBMN-SJORKVTESA-N 445.348 4.555 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCCC(F)(F)C2)c1 427340715 WTGFDFCJVLKQPF-KRWDZBQOSA-N 429.492 4.597 30 10 IJEE N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 443466065 YISPCDVOOLAXIY-UHFFFAOYSA-N 436.880 4.748 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 460554974 PAQFVOHZYLXVTF-IBGZPJMESA-N 436.487 4.643 30 10 IJEE C=CCn1c(SC[C@H](O)C(F)(F)F)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 460596889 LIQIRPFOXWHZMO-ZDUSSCGKSA-N 444.475 4.774 30 10 IJEE N#Cc1cn(CC(=O)c2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2c1=O 460875235 ZYOGHYJHDSURSM-UHFFFAOYSA-N 435.199 4.537 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 504284698 SMSMUUKDDAENQS-UHFFFAOYSA-N 436.533 4.867 30 10 IJEE Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505175676 BHDKBZKLTMHXSS-UHFFFAOYSA-N 427.957 4.890 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)c1OC 526491290 LIPJEJLPECJBOF-FQEVSTJZSA-N 436.851 4.879 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 548957332 NEBQWIGMXSLEGG-QHCPKHFHSA-N 443.551 4.608 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(OCc2ccccc2)CC1 549250582 FEYDJXSNRUJGBL-UHFFFAOYSA-N 432.568 4.661 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)NCc3ccccc3)C2)c1 585933558 XKWAXCWPNNRWHZ-HSZRJFAPSA-N 434.584 4.628 30 10 IJEE Cc1csc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 609052984 JNYHYAKXTOBMIN-CYBMUJFWSA-N 440.912 4.585 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccccc2)C1 619820528 FJMCPHPQTICCAP-JOCHJYFZSA-N 436.357 4.886 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@H](CN)c1cc(Br)cc(Br)c1 698199218 RQOSXORAQNPWGC-CQSZACIVSA-N 434.172 4.635 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 701304924 QIPQKAIMSIUEML-LSDHHAIUSA-N 433.337 4.717 30 10 IJEE Cc1nc(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(Cl)cc1C#N 705855014 WCXOZMXKBBMFBJ-UHFFFAOYSA-N 432.955 4.798 30 10 IJEE Cc1cc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c(C)n1-c1ccc(C#N)cc1 741710740 HIMYTDNADTVVJN-YKSBVNFPSA-N 432.593 4.840 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)c1ccc(F)cc1C 747821330 WKVRZMARDHMPHC-IBGZPJMESA-N 433.936 4.970 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 818857064 LDGABXBILMZFHB-VQTJNVASSA-N 444.572 4.512 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 917712700 GQQPPEUDIHTVBQ-HXUWFJFHSA-N 425.554 4.799 30 10 IJEE Cc1c(/C=C2/SC(=Nc3ccccc3Cl)NC2=O)c2ccccc2n1CC(=O)O 1081102100 QZVZBGGXRROECZ-VCHYOVAHSA-N 425.897 4.579 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n[nH]1)c1cccs1 1083908920 ASFGUEDJOIRHNP-UHFFFAOYSA-N 428.587 4.731 30 10 IJEE CC(=NNc1nc(SCc2nnc(C(C)(C)C)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084338676 KMWXMMRVUCAXBA-UHFFFAOYSA-N 429.594 4.782 30 10 IJEE CCCCCCOc1ccc(OCCOc2ccc(C=Nc3nc[nH]n3)cc2OC)cc1 1084489149 HTKMQAQIHMFAFO-UHFFFAOYSA-N 438.528 4.981 30 10 IJEE C#CCCOc1ccc(C(=O)N(CCC)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 1124156223 OTXFXLRPWQLOGF-UHFFFAOYSA-N 433.335 4.886 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)cc1Cl 1128344796 FDXUARLMZGQWBO-UHFFFAOYSA-N 433.611 4.803 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Cn1c(C)c(Br)c2ccccc21)C(C)C 1136650282 VZXCILBKXLJRRB-HXUWFJFHSA-N 432.406 4.527 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(OCc3cccc4ccccc34)C2)cc1OC 1136995704 BFLCPRUDXMMOPR-WYMLVPIESA-N 429.516 4.854 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c(C(F)(F)F)c1 1189279429 FTUDDLWCORVVIR-UHFFFAOYSA-N 448.388 4.606 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 1189488642 GMQQBRUAWXYGHC-HXUWFJFHSA-N 441.553 4.570 30 10 IJEE N#Cc1ccc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)CC2)cc1 1195462100 GJNVWOAYXMGAHO-UHFFFAOYSA-N 439.762 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1218287948 DSLDDXRZKKBMNI-INIZCTEOSA-N 430.549 4.504 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C 1252972028 WTRPXYCVDULHPY-TZRRMPRUSA-N 436.600 4.766 30 10 IJEE C=CCN(C(=O)[C@H](OC)[C@H]1CCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1264264001 SVNHZUBCBVPWDF-SUMWQHHRSA-N 427.353 4.687 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(Oc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1264893080 MNJYCBPKDWIWDX-AREMUKBSSA-N 434.536 4.888 30 10 IJEE Cc1nc(SCC(=O)O[C@H](C)c2nc3ccc(Cl)cc3n2C)c(C#N)c(C)c1C 1265614171 DZWITNORAIOJCV-CQSZACIVSA-N 428.945 4.815 30 10 IJEE C#CCN(C(=O)c1cccc(Sc2cccc(Br)c2)n1)c1nccs1 1265710790 BHSPLOFQHWCYSL-UHFFFAOYSA-N 430.352 4.732 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F 1280275740 OLTWCACLTCOFPK-TXEJJXNPSA-N 446.807 4.898 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H](C)N1CCCCC1 1286282606 NUCXQPNFRSTGQE-IRXDYDNUSA-N 434.415 4.974 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCO[C@H](C)C1 1286400761 GANIDEZZLISFIZ-WOJBJXKFSA-N 436.625 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1286548416 BAEOPQOIAIWIPD-SFFNPBHPSA-N 429.996 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCC1 1286553817 VTRPIULEJVTWTQ-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@H](C)C1 1286558810 QWLOGNZUIWHHFU-BSRJHKFKSA-N 430.543 4.755 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1Cc2cccc(Br)c2C1 1286611560 LICNJHPTRQBTRP-UHFFFAOYSA-N 445.405 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1286673493 VZSHZEWDOGYYMR-AUSIDOKSSA-N 449.574 4.972 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CC1 1286680861 GBTPKCJAOBCTSE-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1286724175 INAUPCOTZSUNDX-PMACEKPBSA-N 430.040 4.903 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(F)c(Cl)c1 1286731252 FNYWCGFJXDEHDX-IYBDPMFKSA-N 449.958 4.512 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1CCO[C@@H](C)C1)C1CC1 1286731580 QILOJZJGDNXTGB-VQTJNVASSA-N 437.588 4.507 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1Cc1coc(-c2cccs2)n1 1286969477 GNNRZCWDHBHCOK-SFHVURJKSA-N 446.580 4.814 30 10 IJEE CSc1nc(O)c(C(=O)N2c3ccc(Br)cc3CCC2(C)C)cc1C#N 1288526760 PJAXRYGLYMLPCC-UHFFFAOYSA-N 432.343 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSCC(F)(F)F 1300283772 OUFPBOUYSOXIJK-ZIAGYGMSSA-N 442.576 4.885 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1300363320 YALLGAYMIBLEGJ-OAQYLSRUSA-N 444.526 4.919 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCC[C@@H](SC)C1 1300741261 QYFJYCPNTLFHBD-NHCUHLMSSA-N 428.671 4.908 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(F)F 1300872601 BOCOPUWYVIXXNG-LAUBAEHRSA-N 427.499 4.566 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1C[C@H](CC)NC(=O)OC(C)(C)C 1300907470 KJUOEEASVOVOKV-KRWDZBQOSA-N 431.556 4.790 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC(F)(F)F)CC1 1301097348 VDVRCGGJQWXPOG-IYBDPMFKSA-N 443.514 4.548 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCCN(C(=O)CC2CCCC2)CC1)c1ccccc1 1301165777 KLJUQYLEDLTKGO-DEOSSOPVSA-N 449.643 4.819 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301214779 HCVXZHCSGNOENA-UHFFFAOYSA-N 445.489 4.751 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@H]1CC 1301245363 BAANGTKDPFCCOZ-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1Cc1ncc(CC)s1 1301339586 QNDHDHRDFKRNHZ-UHFFFAOYSA-N 434.613 4.998 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC=CCC1 1301354778 JDDAOWPNAXKBRU-NWSQWKLXSA-N 440.563 4.690 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CC1([S@@](C)=O)CCC1 1301354971 MIPXHHGVTMIKGA-WJOKGBTCSA-N 444.620 4.644 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C)c1nccs1 1301399790 UXUZJSVLEXJAHK-IBGZPJMESA-N 430.581 4.835 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1nccs1 1301403344 XYRJRAXBNIEMKA-FPOVZHCZSA-N 437.613 4.667 30 10 IJEE C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1)N1CCCCC1 1303663596 DBNGSAITJVNIAQ-LJQANCHMSA-N 434.613 4.779 30 10 IJEE C#CCN(C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)[C@H]1CCCc2ccccc21 1304065768 FXSKKDDZQOXALR-DEOSSOPVSA-N 448.563 4.976 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(C(C)C)C2=O)nc2sc(-c3ccccc3)cc2c1=O 1307284600 WBRACKMIFBGMJJ-GOSISDBHSA-N 439.606 4.803 30 10 IJEE C[C@@H]1[C@@H](N(CCC(=O)Nc2cccc(C#N)c2)Cc2ccc3c(c2)OCO3)CCC[C@H]1C 1307441372 DSVZTXNZLIAFBA-MSYCTHLASA-N 433.552 4.942 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1)c1ccc(Br)cc1 1310778371 LTBJPOXXGGRTCY-OREJSRFESA-N 440.341 4.706 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3Cc4ccccc4N(C(=O)OC(C)(C)C)C3)cc2n1 1311238172 WGPQCCVLYMWCKB-FQEVSTJZSA-N 447.539 4.710 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)c1 1312011179 DJGHKIXDPUWDPV-PKTZIBPZSA-N 428.536 4.588 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1OC(F)F)c1ccc(Br)cc1 1312436473 KNCBWOSNBBLSCO-BDJLRTHQSA-N 441.247 4.924 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 1312852704 CYRVZODOMYDCCL-OAQYLSRUSA-N 433.577 4.556 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1314710685 FFDOIPFGSJINNH-UHFFFAOYSA-N 428.462 4.761 30 10 IJEE CO[C@@H]1CC[C@@H](N2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)C1 1321764921 XTTULRIDKMXMPW-NJYVYQBISA-N 437.565 4.523 30 10 IJEE C=C[C@@H](CC(=O)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 1348924476 SFFFHHSIEZEOPV-KRWDZBQOSA-N 427.547 4.839 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)c2ccccc2)cc1 1350627064 YBVZQNJMSDBZQL-UHFFFAOYSA-N 435.549 4.513 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 1351081537 ZORMTGRWXZZJPZ-MRXNPFEDSA-N 426.509 4.881 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1357460872 XTHWJNCKFUARGN-FLIBITNWSA-N 431.677 4.795 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cncc(I)c2)c1 1358274574 RAJRXWMIGODKMS-UHFFFAOYSA-N 438.268 4.515 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1358915598 JJONNVVTUZDWBG-UHFFFAOYSA-N 447.627 4.522 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1358916492 MXHADRPTQBMYLQ-URXFXBBRSA-N 438.616 4.954 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1(F)CCC1 1359018974 HKQNDXQANDJPQO-UHFFFAOYSA-N 449.574 4.721 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCN1CCCC[C@H]1C 1359074174 UFILPXFIFMQYKP-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1359116390 JLGIDGUCAKIYHG-CPJSRVTESA-N 443.611 4.909 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1359119121 WBHNCFPLERQUFK-GJZGRUSLSA-N 439.423 4.985 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359207933 BIXWDOZOSHRTCI-ICSRJNTNSA-N 435.538 4.859 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1359218753 UHYRFJSDRPGNIT-UHFFFAOYSA-N 434.569 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CC[S@](=O)C(C)(C)C 1359262360 QUSPPVBAIGSJJA-LJAQVGFWSA-N 432.615 4.648 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCc2cc(F)cc(C)c2C1)C(C)C 1359266095 SQDXUPAQAJURQZ-XMMPIXPASA-N 437.607 4.864 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1359277243 GJSNFAYGERUCLZ-FGTMMUONSA-N 438.494 4.904 30 10 IJEE C#CCOc1ccc(COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 1435848683 ZXKWBDSLVJWUDB-UHFFFAOYSA-N 438.483 4.917 30 10 IJEE N#Cc1cnn(-c2ccccc2NC(=O)c2cc3ccc(Br)cc3s2)c1N 1449224443 DBPTXMZSCJVXBZ-UHFFFAOYSA-N 438.310 4.556 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)Cn3nc(C(F)F)cc3C(F)F)cc2)c1 1455928440 HWFPIOVAZGBVDX-UHFFFAOYSA-N 432.377 4.848 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)CC[C@H]2C)c1 1456865746 QASHTCCCSIHHJZ-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc2ccc(Br)cc2s1 1458680712 FSSODWHTRXHOMR-UHFFFAOYSA-N 438.310 4.677 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(C)c(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1460699019 XWUIGIQTHMCNDM-FQEVSTJZSA-N 439.325 4.628 30 10 IJEE C#C[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 1460786162 DDKZIPUDFRYFDO-GOSISDBHSA-N 436.899 4.893 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 1461905461 ACZWYZGQHMLVPY-QFIPXVFZSA-N 429.347 4.953 30 10 IJEE COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)c2ccc(Cl)cc2C#N)cc1 1462943187 BVIPZCRBBILTHN-NRFANRHFSA-N 444.915 4.622 30 10 IJEE C=C(C)CCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1465098668 DCOQNXRXTMHLIK-UHFFFAOYSA-N 445.585 4.906 30 10 IJEE CCN(CCSC)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1466454232 FBDYVAFOQXXOJJ-UHFFFAOYSA-N 428.505 4.841 30 10 IJEE C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1467185560 IFRNDJLKTYZEKC-CYBMUJFWSA-N 449.299 4.510 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])c1 1474922527 DKDYPCYTHAJOCT-UHFFFAOYSA-N 449.513 4.581 30 10 IJEE CCOC(=O)c1c(NC(=O)N(C2CC2)[C@@H](C)c2ccccc2Cl)c(C#N)cn1CC 1476760223 AMAWRJRAYOQWBN-AWEZNQCLSA-N 428.920 4.967 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)C1 1477140683 WPANHEVIPQOEDX-IBGZPJMESA-N 448.405 4.627 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)c(Cl)c1 1477147484 UBEAHHMOGVOIMX-QGZVFWFLSA-N 425.916 4.809 30 10 IJEE C=CC[C@H](CC)NC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1478537472 BZYRQHMQDLDGLI-KNGSKEOJSA-N 442.368 4.684 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1c(F)c(F)c(Br)c(F)c1F 1478860636 ZHCSMAPQHXPZTA-UHFFFAOYSA-N 435.215 4.539 30 10 IJEE C#C[C@H](NC(=O)N1Cc2cccc(Br)c2C1)c1ccc(Br)cc1 1478896656 QAIJDKIKXPOXCR-KRWDZBQOSA-N 434.131 4.611 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1)c1ccccc1 1479189556 OOWUKEIPWQLJFM-WIOPSUGQSA-N 449.595 4.714 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)C1 1497678252 DCXXWIGGEKUPGH-NRFANRHFSA-N 432.572 4.729 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C(C)C 1500855543 HXTLJNACVOXZKD-XMMPIXPASA-N 437.613 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1CC 1507545993 HVYBOPKWSHEKKL-MUGJNUQGSA-N 429.609 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)CC 1507664141 HSEIETOIDQKEHK-UHFFFAOYSA-N 431.353 4.746 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCc1csc(C(C)(C)C)n1 1507688156 UJZHMFKCGTZVEP-UHFFFAOYSA-N 444.608 4.950 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)Cc1cccs1 1507745446 YTGGSWSCHOXINF-UHFFFAOYSA-N 448.621 4.790 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccsc1 1507756100 GGEJYCHNNIEYIU-FQEVSTJZSA-N 442.585 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@H](C)C1 1507795182 HFVBUPZHZRRUST-LSWJPFSZSA-N 438.616 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)C)C1 1507807554 PYZYDGGXSTYLKJ-SLSDLSHTSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)c1cccc(OC)c1 1507821526 FQMWBHDEVZCLRM-UHFFFAOYSA-N 436.604 4.529 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCN(C(C)C)C(C)C)CC1 1507891651 DIWVUEMLEARQCY-UHFFFAOYSA-N 443.661 4.854 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2OCCC2(C)C)CC1 1507899037 ZOCCZIQNSDFXIW-IBGZPJMESA-N 432.515 4.764 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1507899501 JTWVYBKMWVEJTJ-HSZRJFAPSA-N 435.572 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1CSC 1507910714 BKTIFPDHBRDTJS-HNNXBMFYSA-N 438.439 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1507914328 HSDRQFARDTVWQR-LJQANCHMSA-N 427.637 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1507918678 GWCNXVSRDFGDKP-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 1507941826 NDWCBICPSKUGSP-DEOSSOPVSA-N 425.552 4.953 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1Cc1ccc(-n2ccnc2C)nc1 1508006348 PCYWLLKZXRHEPN-SFHVURJKSA-N 447.612 4.983 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCCN(C(C)(C)C)CC2)cc1 1508096603 HUVJNXXWEAORRN-UHFFFAOYSA-N 449.599 4.770 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)[C@@H]2C[C@H](OCC)C23CCC3)nnc1C(C)(C)C 1508108756 LGUIUVOYQZZMCX-YADHBBJMSA-N 438.616 4.973 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCSC2)c1 1510584656 FXACLZUALGADHK-HYBUGGRVSA-N 439.629 4.747 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC[C@H]1CC 1513040268 BPTJMLFEIJKAPT-TUACAJSNSA-N 434.632 4.812 30 10 IJEE COCCC1(Cn2c(COc3ccc(C)cc3)nnc2N2CCC(C#N)CC2)CCCC1 1518990024 DAEZCPSJNRTGMW-UHFFFAOYSA-N 437.588 4.502 30 10 IJEE C#CCC1(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CCCCC1 1520763971 KCXNXPJWCUYGJR-LJQANCHMSA-N 445.401 4.651 30 10 IJEE C=CC[C@H]1N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCC1(C)C 1524689611 PIFOVKFRWKLVQT-HSZRJFAPSA-N 446.657 4.777 30 10 IJEE Cc1ccc(Br)c(C)c1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1524847688 BPULWORJLJONGQ-UHFFFAOYSA-N 432.749 4.553 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2ccc(CC#N)cc2)C1 1525632081 GTPZSZNHLGZNKE-FQEVSTJZSA-N 426.358 4.531 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(OCCC)c(C)c2)nnc1-c1ccco1 1534440834 IBCQPNKUWRPHSO-UHFFFAOYSA-N 426.542 4.942 30 10 IJEE C[C@H](OC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)c1cccc(C#N)c1 1534849899 FYKZOOVRGZEADF-HNNXBMFYSA-N 425.485 4.579 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(SC)CCC1 1538992386 QIVOVKHAPQGSGL-CYBMUJFWSA-N 437.382 4.590 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1539327578 BOYCZIKQQJAZFG-RBUKOAKNSA-N 432.465 4.765 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC[C@H](C)C1 1539344828 KYGIGVWHHOVFCD-NRFANRHFSA-N 444.627 4.544 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](CC)c1ccccc1 1539541889 OINCLEVBVROYEO-RMUDUWAUSA-N 436.600 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(CC)nn(C)c1CC 1539677410 BJPXCYTWPUKRCD-XMSQKQJNSA-N 442.652 4.506 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1539730709 SCLRECRZWIDJSB-ZJOUEHCJSA-N 444.645 4.958 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2oc(CC)nc2C)CC1 1539898790 YQZPYFAYLOJNJS-UHFFFAOYSA-N 435.572 4.783 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1539916190 HXFLLOXJFYJQTK-RBBKRZOGSA-N 442.579 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1539924241 PRASXFFLMGGZLF-HSZRJFAPSA-N 431.584 4.753 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1539953903 PMVPPIAKLMMWGK-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c(OC)c1 1540060015 PVSGBAJPIOOHLO-QGZVFWFLSA-N 441.524 4.994 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)(C)C)CC1)OC 1545775666 GNEHUEMXYUCAML-UHFFFAOYSA-N 439.604 4.806 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1547831323 DGFSNCJCCKVLCP-ICSRJNTNSA-N 425.577 4.559 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCC(C)CC1 1554713482 DWHWYMUCXNPTMU-ISISGCMPSA-N 432.572 4.542 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CCCC1(C)C 1556416483 WQLZXJXYLIGRAH-JOCHJYFZSA-N 442.581 4.703 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 1557661146 JEJVOGTUDPTBAJ-OAQYLSRUSA-N 438.593 4.515 30 10 IJEE CC[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC[C@@H]1NC(=O)OC(C)(C)C 1559158559 AYFDMZHMCZAANO-WBMJQRKESA-N 426.330 4.589 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NCc3ccc(Oc4cc(F)cc(F)c4)cc3)C2=O)cc1 1560437146 FNLDNSCVXZUENQ-DEOSSOPVSA-N 433.458 4.914 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 1561535224 KUCHNIIHHDDHBC-LJQANCHMSA-N 435.973 4.522 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1)c1ccc(F)c(F)c1 1562572726 RLZWAXHUEFVZPO-OAQYLSRUSA-N 440.450 4.684 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C(N)=O)[C@H](C)c1ccccc1)c1ccc(C(F)(F)F)cc1 1564406672 KYGPWFUUUKQDGX-XPGWFJOJSA-N 433.474 4.670 30 10 IJEE C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 1564916016 IBQGOLPPHAEXBN-NSHDSACASA-N 439.375 4.775 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1565688607 DMLNRERANHHOBW-GFCCVEGCSA-N 434.443 4.808 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 1583105230 GDTUMTYIJYBIAR-UHFFFAOYSA-N 430.451 4.700 30 10 IJEE C=CC[C@@]1(C(=O)OCc2ccc(-c3ccc(C)nn3)cc2)CCCN1C(=O)OC(C)(C)C 1586062922 CUUIEEBXGCZDRT-VWLOTQADSA-N 437.540 4.841 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CCCC1(C)C 1586321062 XVCSRSNBFPKBIQ-JQVVWYNYSA-N 432.630 4.560 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 1587500653 CTJMVNOAISGBFK-JOCHJYFZSA-N 425.573 4.789 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccns2)nnc1-c1ccc(Cl)cc1Cl 1588303903 LPXOVZPFPLAVAW-UHFFFAOYSA-N 426.354 4.625 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1589582001 YDKSYDBSKKXRJB-FIKGOQFSSA-N 446.020 4.801 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1594133613 AJRXSCKYKUYRNF-PIXQIBFHSA-N 443.680 4.864 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C)COC)CC1 1594209473 XNOLICINIQNJLY-OAHLLOKOSA-N 433.394 4.701 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CCOC)CCCC2)CC1 1594430810 PXYQWWMTZGTNDM-UHFFFAOYSA-N 449.599 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](F)(C#N)C1 1594461912 ZCQYAIBNXSJQES-HXUWFJFHSA-N 432.341 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1c(C)nn(C)c1C 1594511023 IOKUCMHQOZVRIO-UHFFFAOYSA-N 445.615 4.939 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCC[C@@H]1C 1594885244 BUDRTMLSJNOZMF-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1595218071 GRILVACXZKQGOY-RBUKOAKNSA-N 431.625 4.691 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC 1595244207 VTCQPAISKFMIBL-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)CCC)cc1 1595607114 AFNLQQDHNBLULJ-UHFFFAOYSA-N 444.377 4.885 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2cn(-c3cccnc3)nn2)cc1 1597759776 AGWSCSSACUQLIR-UHFFFAOYSA-N 432.896 4.591 30 10 IJEE C=CC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2)C(=O)OCC 1611408068 FTIIXMOPVQCJKL-BIHRDVDLSA-N 426.516 4.959 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2CCCCO2)cc1 1612133976 FFWFTSYVMSNRSZ-QFIPXVFZSA-N 437.588 4.645 30 10 IJEE CCC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H](C)C#N)CCC1 1613753181 CHAFXOOBQACKGR-MSOLQXFVSA-N 430.597 4.526 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC3(CNC(=O)OC(C)(C)C)CCCCC3)cc21 1627746978 WZVFIQVBXDPVKT-UHFFFAOYSA-N 427.549 4.571 30 10 IJEE CCOc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c2c[nH]c3ccccc23)cc1OC 1629419901 AFBUINAJESISGB-DSKINZAPSA-N 446.551 4.699 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2c(c1)NC(=O)CCS2 1630579037 AQKZUYMPJSBDCO-ZDUSSCGKSA-N 433.455 4.694 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)c(Br)cc1F 1635716065 ILUBZMDGQREWIJ-MRXNPFEDSA-N 447.320 4.593 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)C(C)(C)C(=O)OC)nnc1-c1ccc(C(C)(C)C)cc1 1651596906 ROWCNIOTNURXPZ-OAHLLOKOSA-N 429.586 4.678 30 10 IJEE C=CCn1c(SCCn2cc(Cl)cn2)nc2sc(-c3ccccc3)cc2c1=O 1651729964 AWEKVLYIZRYRNE-UHFFFAOYSA-N 428.970 4.953 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@H]2CCC[C@@H]2c2ccccc2)n(Cc2ccco2)c1C 1654691019 BJRQHSAWSALFMJ-VWNXMTODSA-N 430.552 4.825 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCc3cc(O)ccc3C2)cc1OCC 1656168329 DFZKTTBFVBWYJF-GOSISDBHSA-N 432.358 4.765 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1656340360 GDUCJLKEMYGLRI-SFHVURJKSA-N 444.601 4.782 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 1658609756 ISFOFHRLYOYBCH-UHFFFAOYSA-N 442.487 4.744 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)OCC)cc1)c1ccc(Br)cc1 1666274019 ZIFCGLIZJUQMIE-GOSISDBHSA-N 430.302 4.538 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)cc1 1667589578 LBVRSZTVNZEELG-UHFFFAOYSA-N 436.899 4.765 30 10 IJEE C=CCCS(=O)(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1667655130 MNBSKVAYFQHSKW-UHFFFAOYSA-N 426.376 4.597 30 10 IJEE CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1671555821 IAOOIHHOQYWOCM-RTBURBONSA-N 448.567 4.842 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Br)c1F)c1ccc(Br)cc1 1679193487 IOHYOKOHVFMURU-ZDUSSCGKSA-N 426.083 4.847 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1680853962 AAGLWLSKYUMBBE-YOEHRIQHSA-N 429.483 4.925 30 10 IJEE C#CCN(C(=O)NCCc1cc(C)ccc1F)[C@H]1CCOc2ccc(Br)cc21 1681169446 BJOBYTHPMWQCBA-FQEVSTJZSA-N 445.332 4.608 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(F)cc1 1681648510 KUNZQEIYLHYMON-FYYLOGMGSA-N 430.458 4.730 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)C1 1682286276 NGOVSBBQAHCEAC-APWZRJJASA-N 429.914 4.710 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1689904491 XFTHLZJGCKTOAA-QFIPXVFZSA-N 436.581 4.853 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCC(C)(C)COC 1690006767 ZOLUIJCQHHJWHP-IBGZPJMESA-N 438.641 4.657 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCc1scnc1C 1690214475 LAXKTYWNZPXPHX-HSZRJFAPSA-N 437.638 4.879 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCS[C@H](C(C)C)C1 1690231506 DSHZSTFHIGZURE-IBGZPJMESA-N 449.462 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1690271208 HWRBKRTXFLZKJC-PGRDOPGGSA-N 432.996 4.974 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1690300773 KITAWSBXHXKYAP-QPPBQGQZSA-N 426.630 4.746 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1ccc(Cl)cc1 1690306060 NUTCPVIGSKRDCC-UHFFFAOYSA-N 446.382 4.919 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 1690320624 YMPYFYYKPYTDFQ-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=C(Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690326305 YYKQTAJSOFCIQL-NLFFAJNJSA-N 436.556 4.823 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690354674 XKKUPBNYCNYCFV-CXAGYDPISA-N 427.401 4.838 30 10 IJEE C=CC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1690408264 BRUHQXHZQRNZSI-LJQANCHMSA-N 446.452 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCN1CCCC[C@H]1CC 1690576390 ZCTJOJYUEKZLFH-HXUWFJFHSA-N 436.629 4.859 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCSC2)c1C 1692886199 GTQNZQUFXNYBAH-SXLOBPIMSA-N 427.618 4.917 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](COc2ccccc2)C1 1705540083 MQGZIWSKNXFAQY-YMPZKCBVSA-N 436.600 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1Cl 1705607800 QVSOHQJVFBQDMF-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1705654692 QKGJUHABGFNJPC-KGLIPLIRSA-N 439.448 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)C1CCCCC1 1705671018 SBMCDHAHHLNDDE-RPWUZVMVSA-N 426.992 4.922 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705683296 CSFJUMBGYBBZCL-SJORKVTESA-N 437.357 4.633 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705683814 DUZUXURQJOLJEV-RHSMWYFYSA-N 449.374 4.783 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)c1cccs1 1705709984 HAIJQJYDZKCJNC-HXOBKFHXSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cc(Cl)ccc1OC(F)F 1705718072 YZHFGXQNEYWJSG-OAHLLOKOSA-N 440.922 4.878 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cn[nH]c1 1705719540 BXWXWTIXBLOLMO-UHFFFAOYSA-N 435.359 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN(C)CCC)C1 1705787933 KDIIUHYPBUXMIX-SFHVURJKSA-N 431.028 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1705789580 PNUWFWMOPAGILH-UHFFFAOYSA-N 430.503 4.519 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@H](COC)C1 1705801033 QQVYMRKVMAYRHQ-ICSRJNTNSA-N 444.645 4.872 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1705881864 DRWBWUVQQMETBF-FYYLOGMGSA-N 440.632 4.943 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)[C@H]2CCCc3c2cnn3C)cc1 1705911865 RVSBLERWCDQLCV-QFIPXVFZSA-N 448.615 4.727 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](C[C@H]3CCOC3)C2)nnc1C(C)(C)C 1705913968 CMJBFNXUICZPIJ-NHCUHLMSSA-N 438.616 4.832 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1Cc1nc(C(F)(F)F)cs1 1707643322 FHEDBEHQVGVTGR-UHFFFAOYSA-N 432.475 4.517 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1nc(C(F)(F)F)cs1 1722283659 GNVJUDNIOHRPMP-GFCCVEGCSA-N 439.894 4.774 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](CCOC)C1 1722310144 HXOAYKFTFZHCJR-RBUKOAKNSA-N 426.630 4.798 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1722336976 TXNIGMGQUWHDBL-UHFFFAOYSA-N 433.522 4.626 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccsc1 1722417839 VUCICNKTBVRVIJ-UZUQRXQVSA-N 426.561 4.540 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722427220 RUNMOJIPEOIGRV-PMACEKPBSA-N 434.506 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CCCS1 1722505502 NUDHQSKZOPCCFT-QHCPKHFHSA-N 446.617 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCCc1ccccc1 1722508128 KJVJMOVFCPISFA-HJOGWXRNSA-N 438.616 4.960 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1cc(Cl)ccn1 1722534980 VCBRIFAIDBCPSM-UHFFFAOYSA-N 436.947 4.704 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1C)c1ccccc1 1722596116 CLIDQAKZLRSNMG-AZUAARDMSA-N 435.597 4.618 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1C)c1ccccc1 1722596118 CLIDQAKZLRSNMG-QUCCMNQESA-N 435.597 4.618 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(F)(F)F)n1 1722599613 YPKYXBBTMSVJNQ-KRWDZBQOSA-N 437.510 4.817 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@H](c1cccc(F)c1)N(C)C)C1CC1 1722651604 OWHFSVOXUQNRLS-NRFANRHFSA-N 425.577 4.527 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1(COC)CCCCC1 1722658712 KDSIDLYVNIOLPC-QHCPKHFHSA-N 438.616 4.962 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C 1722673468 SVBSMZXUGISAOE-NHCUHLMSSA-N 428.646 4.795 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2ccccc21 1740591097 MUHOPLMQVBSEDS-UHFFFAOYSA-N 435.572 4.500 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740711321 LYWOKEHNVORZER-RTBURBONSA-N 436.547 4.965 30 10 IJEE C=C(Br)Cn1c(N(CC)CCOCC)nnc1C1(c2ccccc2)CCC1 1740749437 VKJARXPDDFXMPS-UHFFFAOYSA-N 433.394 4.520 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1740785459 GVGPMUVCAIRMDB-QGZVFWFLSA-N 448.951 4.865 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC(CN(C)C(C)C)CC1 1740785532 LVVSMIUEZLCJTH-UHFFFAOYSA-N 425.621 4.552 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740835747 VLALILGHLHIWGN-IBGZPJMESA-N 439.604 4.851 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cccnc2OC)CC1 1740836840 NTGLMSCTNSZACY-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740851168 WTNUKKXSBQMNHD-QGZVFWFLSA-N 427.559 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1Cc1cccc(C(=O)N(C)C)c1 1740922800 SVGICKCLHXLANV-GOSISDBHSA-N 437.613 4.796 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC(OC(C)(C)C)CC1 1740969551 RHPLQZPHYUQQGP-UHFFFAOYSA-N 449.599 4.681 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(C)CC1 1740971852 YXPNKZROHLGAQM-UHFFFAOYSA-N 448.615 4.768 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC2(C)C)C1 1740973754 CXXCDNJXDGAHAF-AEFFLSMTSA-N 431.378 4.535 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C(C)C)N2CCCC2)C1 1740975453 VCGVLKGDPTVBTI-FCHUYYIVSA-N 444.023 4.500 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@H]1C(C)C 1748652178 XMZPTCZQKOIJEV-JLMWRMLUSA-N 426.630 4.795 30 10 IJEE COc1ccc(OC(F)F)c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c1 1748853970 HYORCIAPUUSLGJ-QHCPKHFHSA-N 447.530 4.655 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1749027249 MGYMNWLWCKFJQW-UHFFFAOYSA-N 433.021 4.749 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1749029033 IXLWLFXUCSRCAC-MOPGFXCFSA-N 433.021 4.605 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 1749139871 JPUXLAKHAGRILL-YMPZKCBVSA-N 440.588 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)SC 1749148823 HOBRCJHKQGLIKQ-CQSZACIVSA-N 439.423 4.870 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1749184142 IHEPNLHSPQPGRT-INIZCTEOSA-N 431.968 4.668 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCCCO1 1749215529 ABPMCKFIHIQNOL-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1749266585 JEWWVYNWEFRUDA-HXUWFJFHSA-N 448.970 4.962 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](C)N(C)C)CC1 1749330642 KHBSRTWDPAKOPE-HXUWFJFHSA-N 432.616 4.705 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ncccc2C)CC1 1749347532 QGMLJOUDBLWYRA-UHFFFAOYSA-N 435.597 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1749368054 ACBMHOOXGKBZIP-JOCHJYFZSA-N 425.596 4.675 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749420451 FVIWPFPXOYYOTE-FQEVSTJZSA-N 446.599 4.591 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2sc(C)nc2C)C1 1749699827 CVFSBADAQADWLG-GOSISDBHSA-N 429.977 4.501 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1749701433 UGGRTQCPUZGGGX-XQBPLPMBSA-N 444.023 4.500 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](COC)C1 1760132821 SLHVXGBRILSKCE-GOSISDBHSA-N 445.405 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1Cc1nc(C(C)(C)C)cs1 1760298278 BCLDREUWQMOZTO-RUZDIDTESA-N 449.624 4.960 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC)CC1 1760320920 ZKUJPSLYUROTGR-REWPJTCUSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760322964 ZXIHIYLWTKQAKO-CUYJMHBOSA-N 443.680 4.550 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)C2CCCCC2)CC1 1760399807 XLHFYGJISFWGMI-UHFFFAOYSA-N 429.012 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1CC 1760491195 WZFIXUBTFCTXNV-UHFFFAOYSA-N 440.389 4.835 30 10 IJEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2Cc2ccc(Cl)cc2)n1 1762428075 COTUBNSERAOZMG-UHFFFAOYSA-N 439.995 4.608 30 10 IJEE C/C(C=NN=C1NC(=O)[C@@H](CC(=O)c2ccc(Cl)c(C)c2)S1)=C/c1ccccc1 1772760045 MVBWGLILEHMUGD-DWPPZCNHSA-N 425.941 4.898 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(CSc2nc3ccccc3s2)cc1 1772790309 MBSDLGMRPIRJBJ-UHFFFAOYSA-N 446.509 4.957 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1c(OC)cccc1OC)c1ccccc1 1861487608 ILKABNYVOKJJRO-QHCPKHFHSA-N 426.557 4.652 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2nc[nH]c2c1 1861757038 LTGPWLXILCTPBL-HXUWFJFHSA-N 432.634 4.671 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc([N+](=O)[O-])cc1 1862460698 ORWQBYASAFDVBG-LJQANCHMSA-N 448.397 4.637 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862491538 VXYZIMXTWMLLND-WMZHIEFXSA-N 430.504 4.542 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cc(Br)ccc1F 1862513438 VZCQEGGRWNRXQK-KRWDZBQOSA-N 436.252 4.634 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862534727 VCRUPXHPCPEYLS-HSZRJFAPSA-N 442.471 4.936 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538101 DBRYWIFTGWZQSZ-HXPMCKFVSA-N 434.319 4.515 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1C(=O)O 1862545562 CQHXVJGKYFGIRT-OYHNWAKOSA-N 433.504 4.640 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862633507 LSWULMPHEAZPOZ-NYHFZMIOSA-N 437.492 4.581 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 1862673590 FOAUPJJSAHJGFO-CMJOXMDJSA-N 447.462 4.879 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863092707 MIHJGGFRKYULPX-UHFFFAOYSA-N 439.446 4.605 30 10 IJEE CCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Br)cc2)C1=O 1863198652 JDDARPIKPZKSMB-UHFFFAOYSA-N 438.325 4.703 30 10 IJEE N#Cc1ccc(NC(=O)Cc2c[nH]c3cccc(OCc4ccccc4)c23)c([N+](=O)[O-])c1 1866266845 PUJCDIOKCVDTNR-UHFFFAOYSA-N 426.432 4.708 30 10 IJEE C[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1866765425 WWONOMXVOPCQAP-MRXNPFEDSA-N 433.458 4.502 30 10 IJEE CC(C)[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(F)cc1 1866971069 IYKRGRJEAJWNOP-BJKOFHAPSA-N 429.495 4.933 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@H]1c1cccc(OC)c1 1868119918 YVECXZXLNZMLOX-HHHXNRCGSA-N 429.516 4.813 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccccc2C)n(-c2ccccc2Cl)n1 1870003529 CQXQDTXBXVAPEC-UHFFFAOYSA-N 435.959 4.979 30 10 IJEE CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(C#N)nnn1-c1ccc(C(C)(C)C)cc1 1870144849 MXNHZXCPJONABY-QGZVFWFLSA-N 431.540 4.966 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871376981 NXECOVGXUYCZEK-ZORZIKPLSA-N 442.423 4.659 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)c1 1871416029 HYOVZZCALXZGGH-CFRMEGHHSA-N 446.455 4.686 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1)S(=O)(=O)CCC 1872273161 FDNPRWTYSPTWJV-HXUWFJFHSA-N 438.952 4.777 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872575048 FZFKEFVDPCNUJC-JOCHJYFZSA-N 444.597 4.605 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872771039 KPAGNYMYWKVSFU-QPGLYAHGSA-N 432.501 4.803 30 10 IJEE Cc1c(C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872777193 IJTSWTOLGOLNKG-HNNXBMFYSA-N 447.432 4.906 30 10 IJEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 1872783395 YVBBIKPCTSDIGR-CQSZACIVSA-N 443.868 4.879 30 10 IJEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCOC)C1=O 1873129153 FUMYJJYXSJNVAY-UHFFFAOYSA-N 427.372 4.670 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1c(F)cccc1Cl 1874238696 GLYISQFUYOHDJD-ZMOGYAJESA-N 446.935 4.839 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874381037 XZRAFKRBUYYAFB-MFKUBSTISA-N 440.544 4.964 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc[nH]1 1874423339 HVAJFKOUQPJHMP-FSJBWODESA-N 436.566 4.565 30 10 IJEE Cc1ccc(COc2ccc(/C=N/n3c(SCCCO)nnc3C3CCC3)cc2)cc1 1874497734 XYHPXDDWPLEKGY-PCLIKHOPSA-N 436.581 4.790 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)C)c1 1874510563 UHPOERKLFMMWBW-WYMPLXKRSA-N 437.569 4.645 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2sccc2C)c(C)c1 1874522761 JRWLOOAIQREPPI-SSDVNMTOSA-N 425.583 4.755 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cnc(C)cn1 1874718235 KYKARQXPUBZUKB-QPJJXVBHSA-N 438.867 4.571 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1OC 1875098544 FKQDLAQERVRRNT-GQCTYLIASA-N 444.789 4.730 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)c1 1875144356 PTQKXLPWWZDKGZ-GQCTYLIASA-N 444.789 4.730 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C#N)cc1 1891057909 RHFDNQXPEIMDAU-VQTJNVASSA-N 448.375 4.897 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2cc(Br)ccc2C#N)C1 1965600375 CKLDAJSTEDMBJT-HNNXBMFYSA-N 444.320 4.792 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Br)ccc1Br 1982458416 WJTRZOADLFMNBY-AWEZNQCLSA-N 447.167 4.793 30 10 IJEE C=CCC1([C@H](O)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047983816 AIJDVWUWMRSDEI-MRXNPFEDSA-N 430.770 4.819 30 10 IJEE N#Cc1c(C(F)(F)F)nn2c(Cl)cc(-c3ccccc3I)nc12 2081405038 RAOCECDHMNXHIE-UHFFFAOYSA-N 448.573 4.545 30 10 IJEE C=CCN(CC[C@H](Cc1cc(F)ccc1Br)NCC)C(=O)OC(C)(C)C 2099289266 XUUKFLZFLOKVFB-QGZVFWFLSA-N 429.374 4.922 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 2159120293 FTCPBZXHQNJXTI-SJORKVTESA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNc2cc(Br)ccc2C#N)C1 2163264532 UJOGLTPADNHLCK-TZMCWYRMSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C#N)C[C@@H]1CC(F)(F)F 2176102347 PRFZKTKIASDIOI-LBPRGKRZSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1N(Cc2ccc(Br)cc2C#N)CCCC1(C)C 2184391226 MDBFXVVHSGPBJE-GOSISDBHSA-N 436.394 4.836 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2200686808 NOVIZFJMCNTLJW-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1ncc(Br)c(C)c1[N+](=O)[O-] 2202046658 FFDMNBFRSYVTCI-GOSISDBHSA-N 444.326 4.547 30 10 IJEE CCCC#C[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2213322268 NEUJGVHZMIQYGC-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE O[C@H](C#Cc1cccc(Cl)c1)c1ccc(Br)cc1I 2231102442 DTKCOKQQQMBZQK-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC1(C)OB(c2cccnc2Nc2cc(Cl)c(Br)cc2F)OC1(C)C 2232313505 JEXJKNYYWJWROP-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CCN[C@@H](CC#CC1CCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251480725 ILPMTVCASHOBCE-BJKOFHAPSA-N 427.633 4.574 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2OCCC[C@@H]21 2260022726 WBQGWBLHGKHHRU-HZLPDVBGSA-N 444.616 4.590 30 10 IJEE CC1(C)OB(c2cscc2C(=O)N(CCc2ccccc2)Cc2ccccc2)OC1(C)C 2266989374 CPWRGTQKTXIKBC-UHFFFAOYSA-N 447.409 4.932 30 10 IJEE C=C(COCCC)[C@H](OCCCN)c1cc(Br)c(Br)s1 2294423666 YCCIXJRNPKDVKU-ZDUSSCGKSA-N 427.202 4.662 30 10 IJEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1 2296226453 RMJCGIVVIGDMBE-HXUWFJFHSA-N 429.900 4.579 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@H](O)C#Cc1ccc(Br)cc1 2296277768 WEZLFLJBINSXSJ-WOJBJXKFSA-N 436.390 4.883 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]12CC[C@H]1CCN2C(=O)OC(C)(C)C 2296300355 HAHMYMZKENSUGH-KPLVRAHFSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2296308462 IZPIBGLBWWOISR-FUMNGEBKSA-N 433.390 4.567 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2296311436 WZYSQKWSRYDEMS-OXQOHEQNSA-N 445.348 4.717 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)C=Cc3ccc(OC)cc3)cc2)SC1=S 2296538369 KMFJUPJDRHPXRF-UHFFFAOYSA-N 437.542 4.701 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 2296766388 HMFYRQMFERGMMH-JOCHJYFZSA-N 449.890 4.984 30 10 IJEE COc1ccccc1C=CC=C1Oc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2C1=O 2296871430 XFMUPZCGYNMXLK-UHFFFAOYSA-N 448.496 4.944 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2298484726 NKEJKCKJJKBVBB-RTEYEHBSSA-N 447.498 4.761 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2305404669 XVCDMFFXMABCSF-OFVILXPXSA-N 428.573 4.698 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)C1(C#N)CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2307672324 YUPGJIRCNDERJO-SZTYLXMGSA-N 431.577 4.566 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc1 2314429726 NHOMLZOJVRYCCE-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE Cc1c(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2323597988 VBODQHVCHDVFRV-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2324426188 FMRJXWRXXXMWGB-ZDUSSCGKSA-N 439.851 4.964 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccc(OC)c1OC)C2=O 2325081372 BDOABJTXXRSTES-SFHVURJKSA-N 440.492 4.739 30 10 IJEE CCOc1ccc(OCc2nnc(SCC)n2N=Cc2cn(C)c3ccccc23)cc1 2326660388 PGRHNDALFJDEPL-UHFFFAOYSA-N 435.553 4.742 30 10 IJEE COC(=O)c1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccs2)c1 2326776208 LCRDLKOPIZWETI-UHFFFAOYSA-N 448.573 4.892 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(=O)OC)cc1 2327975893 QXQWGALPTQZFDX-UHFFFAOYSA-N 440.956 4.664 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OCC)c1 2329117916 JICJJYUBTXLXBJ-UHFFFAOYSA-N 428.945 4.787 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)cc1 2330551816 YVTWVRUWHCXXCE-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C(F)(F)F)c1 2331116145 PJLYIZXAIGUSHB-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CCC1 2331510226 LBBOVDGMZVGOPF-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OCC)cc2)n(-c2ccc(C)cc2)n1 2331660295 KKVIGVDSWABPFQ-UHFFFAOYSA-N 443.551 4.805 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339574431 HXEXFRSNQBXDTE-WGSAOQKQSA-N 443.397 4.974 30 10 IJEE C[C@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339586621 IGHBRPWFVQLENM-PKOBYXMFSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339596444 PZITUCCTTAVWJH-IBGZPJMESA-N 444.381 4.752 30 10 IJEE CC(C)c1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1 17967749 YTPXJHDTZMTBKU-SLEBQGDGSA-N 446.528 4.886 30 10 IJEE CN1CCN([C@H]2/C(=N\C(C)(C)C)N(c3cccc(C(F)(F)F)c3)C(=S)C2(C)C)CC1 22938522 KKRCCNUGBWABHE-DXMZOVICSA-N 440.579 4.692 30 10 IJEE COCC/N=C1\Sc2nc3cc(C)cc(C)c3cc2CN1Cc1ccc2c(c1)OCO2 33360758 PDQFNCBJIYSXLX-IZHYLOQSSA-N 435.549 4.691 30 10 IJEE COc1cc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2)cc(OC)c1OC 34954585 VZBDFCJXCUCXFL-AWNIVKPZSA-N 436.435 4.967 30 10 IJEE C=CCn1c([C@@H](Cc2ccccc2)NC(=O)c2ccc(OC)cc2)nc2ccc(OC)cc21 43255458 WJMCMANOULNXSQ-XMMPIXPASA-N 441.531 4.953 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2SCCC)nnc1-c1cccnc1 59048151 UMNYSYRMKJIFGA-UHFFFAOYSA-N 425.583 4.759 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 62887600 OMRCTZJZUJXGAC-XMMPIXPASA-N 443.503 4.671 30 10 IJEE Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccc(O)c1 64874275 LFZMKUAKBUJZQY-HSZRJFAPSA-N 442.519 4.808 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 100221868 JTHUBVVPDRCYAN-JOCHJYFZSA-N 448.579 4.621 30 10 IJEE C=CCOc1ccc(/C=C2/S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1Cl 102630775 GVTWYRYXDIZVLO-NWJIYFRJSA-N 428.897 4.837 30 10 IJEE CCN(C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 105909919 JHNCILSEIKWXPX-QGZVFWFLSA-N 433.508 4.974 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 169907049 SKKDVMDFHIUHGD-ZVHZXABRSA-N 444.940 4.548 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170092861 MKYZSKBVGGZKDJ-NRFANRHFSA-N 443.411 4.595 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)cc1 170144684 KLSJWVBGVLPGDR-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccs2)c1 170153954 HKKXTFLKWDPVKP-NRFANRHFSA-N 435.501 4.857 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)c1 170170083 MZKCKNRSCIKTQN-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1ccc(F)cc1 170243734 PUGJEYAEPNLNRV-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 170246662 MYVGGIXOPYMCDM-IBGZPJMESA-N 432.303 4.917 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1sccc1C 170318957 KYXHBNHUWIFWMV-KRWDZBQOSA-N 435.929 4.715 30 10 IJEE CCOc1ccc(/C=C(/C(=O)Nc2c(C#N)cnn2-c2ccccn2)c2ccccc2)cc1 170525963 OFMSZZPCDKDHNY-XQNSMLJCSA-N 435.487 4.717 30 10 IJEE C=CCC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 480693314 BILMYIBVJWVQTN-IBGZPJMESA-N 426.435 4.843 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(OC)c(OC)c(C)c1OC 484805685 UQUBLHUIXPAFNP-UHFFFAOYSA-N 425.403 4.857 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 508832460 KQUKDXWOZQUSNK-YERQZKAHSA-N 448.611 4.883 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC(C)=O)cc2)cc1 526514850 HDFHXGYLCLHXAE-XMMPIXPASA-N 440.455 4.549 30 10 IJEE Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 531384921 OAWPXULQCHKVRN-UHFFFAOYSA-N 441.531 4.523 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H](C)Cc1ccc(OC)cc1 553317111 IATBDOOJBCUHNW-GOSISDBHSA-N 448.567 4.518 30 10 IJEE N#Cc1cccc(-c2nnc(N3CC[C@]4(C3)OCc3ccccc34)n2Cc2ccccc2)c1 558925387 IAYWTAUEYTXPJD-HHHXNRCGSA-N 433.515 4.501 30 10 IJEE COc1ccccc1CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 586157293 KXSCHKCPDSYYLG-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669813185 GVWYXDIPMOBGQF-QGZVFWFLSA-N 441.377 4.548 30 10 IJEE CCc1nc(COc2ccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)no1 739595165 GCCKEYBVCKYZEO-UHFFFAOYSA-N 444.516 4.741 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3sccc3Br)c2)s1 739975381 AEDJBCOLIJTRLE-UHFFFAOYSA-N 439.381 4.589 30 10 IJEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 746231875 BDJXKXSNYAHNCY-RQZHXJHFSA-N 437.499 4.876 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)c2nc3ccccc3o2)cc1C 746649714 OGDDUIZYDQROJB-GOSISDBHSA-N 427.508 4.755 30 10 IJEE CC(C)C[C@](C)(C#N)NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 751366763 SHMZFQOQRCKIFT-XMMPIXPASA-N 426.561 4.614 30 10 IJEE C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)c1ccc(Cl)cc1 777215187 HWZQHUYTLZBFBE-QWHCGFSZSA-N 444.940 4.541 30 10 IJEE Brc1ccc(OCc2ccccn2)c(C=Nn2cnnc2-c2ccccc2)c1 818268913 ULSYPPPRJHBRJD-UHFFFAOYSA-N 434.297 4.564 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccccc1Br)[n+]1ccccc1 917613610 OXJBIOAPOIHRRZ-UHFFFAOYSA-O 437.342 4.932 30 10 IJEE COc1ccc(C(=O)CSc2n[nH]c(NN=C(C)C34CC5CC(CC(C5)C3)C4)n2)cc1 1084069215 AKVHSZRZHPCOMF-UHFFFAOYSA-N 439.585 4.793 30 10 IJEE CSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1 1084636148 NNDVEISWQGMKDB-UHFFFAOYSA-N 448.577 4.857 30 10 IJEE COC[C@@H]1CC(=O)C=C2C(Cl)=C[C@H]3[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]4(OC(C)=O)C(C)=O)[C@@]21C 1085227496 GXMMOJSSTKHQSR-IWSPTOSHSA-N 448.987 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cnc(-c2ccccc2Br)s1 1125647847 SQORSWDIJPLEIU-UHFFFAOYSA-N 429.314 4.987 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(OCC3CCCCC3)CC2)CCCN1C(=O)OC(C)(C)C 1126177265 BMKYJIWQHDJBFV-RUZDIDTESA-N 434.621 4.920 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c(OC)c1 1127836320 WKODKXNVYUBDRQ-IBGZPJMESA-N 429.944 4.774 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(Br)sc1C 1129589231 WHARMGFXYISEFV-UHFFFAOYSA-N 432.137 4.794 30 10 IJEE C=CC[C@@H](C(=O)Nc1cc(C(=O)OCC)ccc1I)c1ccccc1 1132447419 DWELEXHGKXWARK-MRXNPFEDSA-N 449.288 4.766 30 10 IJEE C#CC[C@]1(C(=O)N2CCC[C@@H](c3ccccc3OC)CC2)CCCN1C(=O)OC(C)(C)C 1132918841 WWZPHMMWRSENPH-FQRUVTKNSA-N 440.584 4.584 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCOc1ccc(Cl)cc1 1136073267 XZHJFXBLPKTSNF-KRWDZBQOSA-N 431.360 4.651 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 1138104348 TVXWCMMZPCGDQA-ACRUOGEOSA-N 434.552 4.754 30 10 IJEE CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1138451263 BGGKKIVGSMHXAK-QHCPKHFHSA-N 447.922 4.859 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 1153523350 GDWZVVLOXYWCNG-QGZVFWFLSA-N 429.314 4.607 30 10 IJEE Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(Br)c(C#N)c1)O2 1157066210 CFYSQJWTHGDLDT-OAQYLSRUSA-N 429.314 4.674 30 10 IJEE C=CCC1(CNc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)CCCC1 1163286606 ANJHWGFLPIXCEP-UHFFFAOYSA-N 440.525 4.730 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CC[C@H](OC)C(C)(C)C3)c2C#N)C1 1170423201 AJAAGGDBQJNLJP-JXFKEZNVSA-N 431.646 4.846 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4)c3)cc21 1179488523 HCSNAYNFXLWMOH-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)cc1)C(C)C 1198026734 ITOKTOCDAGNROX-MHZLTWQESA-N 439.559 4.870 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc(F)cc1 1199437781 QCWVMPNBKNKCAA-XMMPIXPASA-N 441.506 4.844 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C(=O)NC)c2C)cc1OCC 1199599756 ODOFRZUPAVOPRH-UHFFFAOYSA-N 433.346 4.693 30 10 IJEE CC(C)CN(Cc1ccccc1Br)S(=O)(=O)CC1(C#N)CCCCC1 1210687864 CIPIHLCBYYGLGT-UHFFFAOYSA-N 427.408 4.711 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(F)cc3OC3CCCC3)CC2)nc1 1215800423 BHXGXOBIDSVTBS-UHFFFAOYSA-N 438.503 4.925 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 1223983660 UBFHWOWGVSOHAN-RYGJVYDSSA-N 433.321 4.568 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1c(F)cc(F)cc1F 1255146528 GROWAODEGZTUSP-UHFFFAOYSA-N 431.227 4.903 30 10 IJEE COc1ccc(C2(CNC(=O)c3cccc(OCc4ccccc4C#N)c3)CCC2)cc1 1266530843 FXWUCSCOCBTNLN-UHFFFAOYSA-N 426.516 4.998 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1)c1ccc(Cl)cc1 1275447691 KIRGPNWDMOJSFI-VSKRKVRLSA-N 435.980 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1CC(F)C1 1286566669 SNIVJQKZKBCKCF-JGXXCWGCSA-N 426.580 4.619 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(F)(F)F)cs1 1286572079 YWCHNZWHUIFJEE-UHFFFAOYSA-N 432.475 4.743 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286588059 JSEQVONANUGFQH-QGZVFWFLSA-N 430.961 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCOC1 1286667642 MCTFTGNQPLNRKR-CYBMUJFWSA-N 425.396 4.597 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCO1 1286680294 BGWVFWWCWJBZSK-QGZVFWFLSA-N 436.398 4.787 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286694584 VBJBHAUDTSELMY-HXUWFJFHSA-N 435.616 4.704 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1286707062 AOUJARGEAMXHTE-UHFFFAOYSA-N 436.959 4.724 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@@H]1C(C)C 1286740712 VDMLLHALVWJHSO-ZJSXRUAMSA-N 449.599 4.546 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1286753172 WRSNUZGUDVWFHI-KRWDZBQOSA-N 429.565 4.528 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286772177 RRFYBFYZWAHBME-LJQANCHMSA-N 437.632 4.807 30 10 IJEE C=CCSCCn1c(N2CCCC[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1286836940 RWIBEPULUGCTQD-OAQYLSRUSA-N 440.657 4.920 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1csc(I)c1Br 1289493444 VXISFYXBWJJIQN-VIFPVBQESA-N 440.144 4.686 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1296463010 LIPYFRAYYJBPCU-ZEQKJWHPSA-N 434.536 4.572 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC(CC)(CC)OC 1300276600 NQZSGELOAKJFTR-CQSZACIVSA-N 437.357 4.510 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1csc(CC)n1 1300353370 UGVDHBQLZYJRAR-UHFFFAOYSA-N 430.581 4.952 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Br)c(F)c1C 1300634876 IKYOUFIXQYGTCR-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC1(COC)CCCCC1 1300648029 DAHFLDQTBUYOAY-JOCHJYFZSA-N 440.563 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N1CCC[C@@H](C)C1 1300790301 NASYRKAPGPIVSN-NXMSCROESA-N 443.998 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCCc1ccccc1 1300890871 IHUVAELZBFMHBO-UPVQGACJSA-N 436.625 4.981 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1300944348 LIMDSMVTDQPMBM-FQEVSTJZSA-N 439.604 4.913 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1300973177 TXFVEBUZHMRMDU-SFHVURJKSA-N 428.552 4.623 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)CC)CC1 1301107923 IHOYWAFGHZXSHM-UHFFFAOYSA-N 429.996 4.700 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[C@H]2C[C@H](F)C2)CC1 1301134871 BHCMSZJGIGDJNM-HKJRMUSSSA-N 447.599 4.589 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301140066 ZSBDQIWMYZUOHB-RQNQAMLKSA-N 438.616 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](COC)C1 1301140717 AYYNNPWLOZPMCZ-GOSISDBHSA-N 426.561 4.529 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCC1 1301168960 XTEIVDRJBQIZIJ-UHFFFAOYSA-N 433.394 4.805 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1301270104 BXJISDHPFMRLHR-RZDIXWSQSA-N 444.352 4.926 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccsc1 1301397275 PPIGQBKWDPOTQT-IBGZPJMESA-N 443.617 4.833 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1C(C)C 1301597750 YWWAFBPLNYFSGS-MRXNPFEDSA-N 438.439 4.590 30 10 IJEE C[C@@H](Cc1cccnc1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1310693415 GSKJUCFLVSYEBZ-ZDUSSCGKSA-N 445.470 4.772 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccc(Br)cc2)CC1)c1ccc(Cl)cc1F 1312944366 VFEXDOPNACJFEH-GOSISDBHSA-N 435.724 4.947 30 10 IJEE C=CCCSCCNC(=O)N1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC 1312977789 RZDOKQHWJZTENO-LEWJYISDSA-N 433.618 4.517 30 10 IJEE COc1ccccc1OC[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCC(CC#N)CC1 1315646519 CWFLZICUNBHRRY-IBGZPJMESA-N 437.588 4.789 30 10 IJEE C=CCO[C@H]1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)C1 1323743285 CLZGHZZIIKVTMC-IBGZPJMESA-N 449.020 4.728 30 10 IJEE C=CC[C@]1(C(=O)NCCCO[C@@H]2CCCc3ccccc32)CCCN1C(=O)OC(C)(C)C 1353692629 GZEQITITDFDCLA-ATIYNZHBSA-N 442.600 4.933 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CC(C)(C)C 1358916869 ZFIUGEYIMIKFMB-UHFFFAOYSA-N 433.394 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCCC1(F)F 1358986945 MESQLFHPZBGSMV-HXUWFJFHSA-N 448.521 4.624 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)C1[C@H]2CCC[C@H]12 1359061349 ZHRQZSMMONNBAP-SFTDATJTSA-N 438.641 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCCCCOC 1359066767 OJDGIZWREFPKKS-LJQANCHMSA-N 437.407 4.578 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCCOc1ccccc1C 1359094707 DSJWXPANYFKZEJ-XUZZJYLKSA-N 447.583 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)(COC)CC1 1359191962 RAWZZPFUDTWKJY-UHFFFAOYSA-N 430.568 4.851 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccsc1 1359202182 LVDJOAUYYPWHIF-UHFFFAOYSA-N 448.596 4.729 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@](C)(CC)C1 1359223168 CDMHQYLRJIJHMA-HOYKHHGWSA-N 444.645 4.729 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1C[C@H]1C 1359262400 RZWUBGSMEXOTKN-HUUCEWRRSA-N 446.418 4.956 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccc(OCC(F)(F)F)cc1 1359269705 MIAXLWYCPOQJNX-UHFFFAOYSA-N 429.446 4.508 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1cc(Cl)ccn1 1359285318 YCQHYNJSNCYCRV-UHFFFAOYSA-N 435.915 4.988 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 1359307402 JJCCTVUEAPNOLY-NSHGMRRFSA-N 446.542 4.513 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(N(C)C)CCCCC2)C1 1359316837 XFYKSBWMNWJWOY-OAQYLSRUSA-N 444.023 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2sc(C)nc2C)C1 1359317823 QYRJKPJGCMSTQA-MRXNPFEDSA-N 429.977 4.501 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1359341909 KHGYMTBCWJPDIM-UHFFFAOYSA-N 444.630 4.592 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1359342241 SIPQIWQOKSSDSH-UHFFFAOYSA-N 440.657 4.677 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@H](C)C#N)C1 1360007875 HOKLQUFOKVLREJ-WOJBJXKFSA-N 434.588 4.655 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1434893284 CBNBGOGLEYKZIC-FQEVSTJZSA-N 447.457 4.676 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 1437616106 HNWCMBZUBJCCAF-RXVVDRJESA-N 433.581 4.673 30 10 IJEE COC(=O)c1ccc(N(C)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)c(C#N)n1 1458183575 BAUIGWQZSOZPAA-UHFFFAOYSA-N 429.520 4.881 30 10 IJEE C=CCCn1cc(C(=O)O[C@H](C)c2cnc(-c3ccc(Br)cc3)s2)nn1 1458185374 BVGUWNFKBUXVMB-GFCCVEGCSA-N 433.331 4.658 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(OC)cc(Br)c1OC)c1ccc(F)c(F)c1 1459182819 JBRGVCROAFFUOT-KRWDZBQOSA-N 426.257 4.792 30 10 IJEE COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)CCC(=O)N(CCC#N)c1ccccc1 1461035360 DNWOXOQZDYXJPL-OAQYLSRUSA-N 433.552 4.584 30 10 IJEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1465223090 GXKPZSNNZADWQL-FUHWJXTLSA-N 436.512 4.720 30 10 IJEE O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1466845427 ABTGKXVUAICJOW-AEFFLSMTSA-N 435.339 4.759 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 1468216115 OFPVHNUGIKJELY-FPOVZHCZSA-N 442.401 4.762 30 10 IJEE C=CCCCN(CC)C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1468787691 RXRGHGXRXLGUFR-QHCPKHFHSA-N 428.598 4.794 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 1469876132 BOWCLCWBJZWKFE-SFHVURJKSA-N 434.580 4.803 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C[C@H](C)C[C@@H](c4ccccc4)C3)ccc2c1=O 1472578494 RDUBDAMHMCXWRN-NSISKUIASA-N 433.577 4.573 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)OCC)ccc2C)c1 1474930222 AQZUEPONBQOJFR-UHFFFAOYSA-N 433.529 4.549 30 10 IJEE CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1476580424 BSHMBCIFQJDIAA-INIZCTEOSA-N 444.539 4.883 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@](C)(CC)C1 1507556719 NVNVNDITRZIEOE-AREMUKBSSA-N 448.567 4.926 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1507595866 YFHHNIUTWNGGID-LPHOPBHVSA-N 449.382 4.583 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(Cl)s1 1507609603 BNJXNJNUSMRYEL-UHFFFAOYSA-N 430.961 4.574 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1507846333 IGPNRBHXLPEDNI-OAQYLSRUSA-N 437.613 4.529 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1507929552 QURWNAWYFXFYEE-HSZRJFAPSA-N 437.632 4.531 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1507955776 QVEYQVMMUXWLDN-JOCHJYFZSA-N 426.605 4.822 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@](C)(O)c1cc(C)oc1C 1507996846 KSYMFOFVDOKLGP-HFJWLAOPSA-N 447.583 4.973 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC=C(C)C)C1 1508117620 VDEOSYIZSIJWAI-IBGZPJMESA-N 431.378 4.845 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(CC)CCOCC2)C1 1508124970 NDYHQDWSYAPYHF-OAQYLSRUSA-N 445.007 4.510 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCCO1 1508151489 XFEPMYCRODVCGL-SJLPKXTDSA-N 432.659 4.666 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2ccc(N(C)C)cc2)CC1 1520235854 CWISKHZVPIZQPT-UHFFFAOYSA-N 431.349 4.901 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)Cc1ccc(Br)cc1 1523502018 BTYTUHILRRDYLJ-CQSZACIVSA-N 447.325 4.757 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1c(Cl)cccc1OCC1CC1 1523502416 MEMCJHSKHSKTCF-UHFFFAOYSA-N 430.884 4.872 30 10 IJEE C#C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(Br)cc1 1525053575 CWFWOPHCWVUZIN-SFHVURJKSA-N 436.265 4.524 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccccc2SCc2occc2C(=O)OC)cc1 1525527939 SWNVIADHLMXBKE-UHFFFAOYSA-N 437.517 4.853 30 10 IJEE C=CCC1(NC(=O)c2cc([N+](=O)[O-])cc(I)c2C)CCCCC1 1525769721 AGBMMIFTHDHFBN-UHFFFAOYSA-N 428.270 4.517 30 10 IJEE N#Cc1nc(NC(=O)C2(c3ccc(Br)cc3)CCC2)ccc1Br 1526374028 ANZOPVYAKCZERW-UHFFFAOYSA-N 435.119 4.539 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)c1ccc(Cl)cc1 1528061061 KYKRLHAYKJRICZ-QHCPKHFHSA-N 429.907 4.979 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 1528416127 XKNYHUBGFUBWRA-OAHLLOKOSA-N 437.334 4.566 30 10 IJEE COc1cc(C(=O)Nc2ccc(Br)c(C#N)n2)ccc1OCc1ccccc1 1529891513 DKGJZOGPGGMGQB-UHFFFAOYSA-N 438.281 4.556 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1)C(=O)OCC 1533746648 QFIRZAJFLWFSJX-QFIPXVFZSA-N 435.499 4.615 30 10 IJEE C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(C(F)(F)F)cc1 1535597345 FUWKEJYYSUUJMS-SWLSCSKDSA-N 436.817 4.888 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)cc1 1537825347 JLAZQWJYDLHEGT-UXHICEINSA-N 430.545 4.670 30 10 IJEE CC[C@@H](C#N)N(CC)C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1538447398 HBEMMHKBLJQGMS-ZBFHGGJFSA-N 440.594 4.836 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(COC)CC1 1539051754 GZLYJPNKCOJLEK-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C/C(=C\C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccccc1C(F)(F)F 1539070229 WPBZMLTUQBFWDJ-FYWRMAATSA-N 429.442 4.882 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1oc(CC)nc1C 1539392482 SCOHQIMPVHIJPF-UHFFFAOYSA-N 435.547 4.697 30 10 IJEE C=C(Br)Cn1c(N2CCSC[C@H]2C)nnc1C1(c2ccccc2)CCC1 1539611653 BVPUXKPRJGWRLU-MRXNPFEDSA-N 433.419 4.598 30 10 IJEE C=CC[C@H](OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 1539697062 PEEBNVCNXUZRNT-IBGZPJMESA-N 430.291 4.752 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1539723122 OMYGWFFGILKNEM-JRGCBEDISA-N 446.542 4.629 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCc1nccs1 1539907015 WAESTGSVXIRKOA-UHFFFAOYSA-N 426.546 4.591 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCC(C)CC1 1539976645 BGUZVQAHZIKPBX-UHFFFAOYSA-N 429.996 4.843 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCc1nc(C)c(C)s1 1540133148 CHGYAQMWOQYRAH-UHFFFAOYSA-N 448.571 4.988 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CCc1cccs1 1540135806 BACOLILZEHLOFA-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1540158635 NEAZBHKZCISMMC-HKARXFIJSA-N 430.955 4.857 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1540530139 SUINILLJHCXDBL-MHZLTWQESA-N 438.612 4.959 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1540915687 NHQMKJFMRAQQRA-SFHVURJKSA-N 439.412 4.959 30 10 IJEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCc2sccc2C1)N(C)C 1541413167 DHAJWPJWDQEQDP-JOCHJYFZSA-N 448.640 4.807 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)CN2CCCCC2)cc1 1546188462 AQYDOSXMYIBGLP-NRFANRHFSA-N 434.632 4.760 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1CC(C)(C)c1ccccn1 1546277470 FBLDORQECFJBEF-LJQANCHMSA-N 432.572 4.531 30 10 IJEE COc1ccc(Cn2c(-c3cc4ccccc4o3)nnc2N(CCC#N)CCC(C)C)cn1 1554931301 ABOIKYKNAGRVEV-UHFFFAOYSA-N 444.539 4.909 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2C2CCC2)c1 1557130790 ZKWABGGWXDZZDP-PZJWPPBQSA-N 444.984 4.640 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(OCCC(C)C)c(F)c3)ccc2c1=O 1557275751 IXMBASLIPJFLTA-UHFFFAOYSA-N 441.528 4.688 30 10 IJEE N#Cc1ccccc1N1CCC(NC2CCN(Cc3c(F)cccc3Cl)CC2)CC1 1560551211 DLSRYTCTQVKBBT-UHFFFAOYSA-N 426.967 4.574 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)cc21 1585552021 MJAPLVMMWVMRHL-XJABCFGWSA-N 438.572 4.977 30 10 IJEE C=CCn1c(SCC(=O)N[C@@]2(C)CC2(C)C)nnc1-c1ccc(Cl)cc1Cl 1586803564 KBVHNZNJAZRJQC-IBGZPJMESA-N 425.385 4.835 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1588433167 MKZFMGVLKXCTDN-FYYLOGMGSA-N 447.627 4.970 30 10 IJEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1589096397 BNFYIYMMSQWOSK-GMAHTHKFSA-N 438.641 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCC(C)CC1 1589652226 QVLYHIGPFJGWPB-UHFFFAOYSA-N 434.588 4.734 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccoc1C 1589731182 BJACPKPJBXJGNE-UHFFFAOYSA-N 431.334 4.830 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 1593777369 YMHJGWWOTCRJST-NHCUHLMSSA-N 430.568 4.565 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1594248161 XVDCUTKUPWSGKP-RUZDIDTESA-N 444.627 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1594504179 JNRLHRGLSSZXGV-UHFFFAOYSA-N 438.551 4.686 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1594634109 IWBNCQRQTWZUBM-FQEVSTJZSA-N 439.007 4.996 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1c(F)cccc1F 1595161914 PVEQWQBPFHAKIY-INIZCTEOSA-N 430.524 4.557 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCOCC2(CC2)C1)C(C)C 1595166627 WFDRRGCMRVGESF-XMMPIXPASA-N 449.643 4.569 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1C(C)(C)C)C(C)C 1595170461 COIXNKIQKKYIPO-LJQANCHMSA-N 439.570 4.973 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1)c1ccccc1 1596910344 LPSKYQCVDLIMOP-OAQYLSRUSA-N 445.544 4.764 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1CC1CC(F)(F)C1 1611732570 HTMOATKZGMTWMA-OAHLLOKOSA-N 433.478 4.733 30 10 IJEE Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1csc(-c2ccc(Br)cc2)n1 1613659003 FZHGOIIBDGTPTL-UHFFFAOYSA-N 437.322 4.511 30 10 IJEE C=CCN1[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@]2(C)C(=O)CCCC[C@H]12 1615772689 RRHXVEFCENAIFY-OYSWMMLKSA-N 426.601 4.901 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)n[nH]2)c1C 1624457925 DBHREFCIGWJFKL-UHFFFAOYSA-N 441.491 4.548 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)c1 1626631492 LSCIZSVFYNPRKP-UHFFFAOYSA-N 437.605 4.633 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)c1cccs1 1627737771 HELJYPHRFUWYGJ-INIZCTEOSA-N 449.960 4.975 30 10 IJEE C#CCN(C(=O)NCc1ccc(OCc2ccccn2)cc1)[C@@H]1CCCc2ccccc21 1629782263 XTYKKZXODBXQLS-AREMUKBSSA-N 425.532 4.883 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 1631877550 ICRHHJHRSSNDBE-FGZHOGPDSA-N 442.604 4.768 30 10 IJEE C#CCN(C)C(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1633931979 ZRGDJLQVUCJNIU-HXUWFJFHSA-N 430.548 4.519 30 10 IJEE C#C[C@@H](CC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1635862668 BRKYRALRYVLVIO-FQEVSTJZSA-N 426.582 4.543 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccn2cc(C(F)(F)F)nc2c1 1637678830 UPYUVHZGKNIOEF-UHFFFAOYSA-N 440.219 4.933 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCSC2(CCC2)C1)[C@@H]1CCOc2ccc(Br)cc21 1638809522 LNGKTAVUEOXHDU-SJLPKXTDSA-N 449.414 4.736 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F 1640460120 SCMFLAITVBHRGI-UHFFFAOYSA-N 437.336 4.908 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 1642539976 GPBWPJQAIQFHME-JWQCQUIFSA-N 428.532 4.958 30 10 IJEE CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1644713289 GYIFXPFFHSJLNP-QFIPXVFZSA-N 444.579 4.866 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)C1 1645274408 PLXLTWYVZVXKHV-CQSZACIVSA-N 436.408 4.608 30 10 IJEE C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(Cl)cc1 1662140913 GGEBPIFWVFURTH-YRILPIOLSA-N 439.762 4.650 30 10 IJEE CCOC(=O)c1c(NC(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c(C#N)cn1CC 1662775506 HDVQPPIZRBLLJC-LJQANCHMSA-N 436.556 4.776 30 10 IJEE Cc1cccc(S(=O)(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)c1C#N 1665318038 DHLHUTMTUDKZBB-UHFFFAOYSA-N 447.438 4.551 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCCC(=O)Nc1cc(Br)ccc1C 1668197075 YHRMEYZMTKJLQF-UHFFFAOYSA-N 436.394 4.864 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 1668761055 QQNJKYUUQITERZ-GOSISDBHSA-N 433.430 4.587 30 10 IJEE COC(=O)c1cnc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1 1668939512 HDIKCHGHSWSEGC-LBPRGKRZSA-N 440.456 4.615 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 1669171432 DCJHHHABEXPKKY-JOCHJYFZSA-N 426.476 4.649 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cc(-c4cccc(Cl)c4)on3)CC2)c1 1669384835 ANVUSEWXPULNRJ-UHFFFAOYSA-N 435.915 4.653 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Sc2ccccc2)c(C(=O)OCC)c1 1669650605 UAQNCFFRFGEXFT-QGZVFWFLSA-N 426.538 4.564 30 10 IJEE COc1cccc([C@H](NC(=O)Nc2scc(C)c2C#N)c2cc(F)ccc2OC)c1 1669735543 CAQDLYCCBYWLDQ-FQEVSTJZSA-N 425.485 4.996 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1673799755 UKHFMRDTRLYKCV-HARLFGEKSA-N 443.385 4.797 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccsc1)N(CC)CC)c1ccc(Br)cc1 1674170066 YOJIQWKBLZVGLJ-RBUKOAKNSA-N 434.403 4.567 30 10 IJEE C#CCN(C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)[C@H]1CCCc2ccccc21 1675141271 AHHOOPWNIOPIRB-IBGZPJMESA-N 443.425 4.581 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C(C)C 1678215574 YDOTVYXMTVTNML-CQSZACIVSA-N 449.315 4.683 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)c1ccc(F)c(F)c1 1680280793 QJLWCXUGVUMQQA-SIKLNZKXSA-N 427.495 4.576 30 10 IJEE C#CCN(C(=O)NCCc1ccc(C=C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1682577281 HZZAFXQXFGSHDT-OAQYLSRUSA-N 439.353 4.803 30 10 IJEE C=C(C)CCNC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 1682686074 WCJAURNQOXTRAQ-HXUWFJFHSA-N 431.536 4.926 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc2cnccc2c1 1689897862 KOJWYQCEKASHFQ-UHFFFAOYSA-N 430.581 4.622 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1689900811 QTSFRDREPAWTOM-UHFFFAOYSA-N 427.474 4.853 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1689901986 SUXOWJKGLDVAPW-JOCHJYFZSA-N 431.565 4.935 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](OC)C1 1689913029 GNNFHCYOMRNAPK-QUCCMNQESA-N 430.980 4.717 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCSC2(CCCCC2)C1 1689920510 ACZHGYJIFIQGBH-UHFFFAOYSA-N 440.613 4.632 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)C1 1690156115 ROYDWOUIXHFNJK-QAPCUYQASA-N 433.021 4.901 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)CC(C)(C)C1 1690183875 AANHUEYUNOJKJW-SFHVURJKSA-N 444.670 4.818 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1cccc(O)c1 1690230477 FBBAJJQRVJNPCA-CQSZACIVSA-N 433.375 4.742 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690455772 NVENUDRSMROWPA-FUHWJXTLSA-N 429.565 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@H](C)C1 1690561243 IRGNHSZVHDVRHQ-DVECYGJZSA-N 443.599 4.640 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCCC[C@H](SC)C1 1690683739 TTXUZGXTMQQJEV-QFIPXVFZSA-N 449.624 4.599 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C2CC2)cs1 1690992960 CGODUSNAUGXASL-CABCVRRESA-N 440.548 4.535 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2CC(C)(C)c2ccccn2)cc1 1693160678 HBVLPTVODRDVSR-UHFFFAOYSA-N 446.624 4.992 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C(F)(F)F 1705478903 CQNJMHTXSYPLJL-GFCCVEGCSA-N 429.284 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1nc(C2CC2)cs1 1705483235 QFXANHCLJMOQJJ-LLVKDONJSA-N 448.415 4.609 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](COCC)C1 1705512225 WIHRFODLFXRVMO-GOSISDBHSA-N 430.980 4.664 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N(C)C1CCC1 1705683613 NDBHPUIVFRNNED-UHFFFAOYSA-N 426.156 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](OC)c1ccc(Cl)cc1 1705719152 NGYZNEONSGIKHR-OAQYLSRUSA-N 442.995 4.583 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1705722168 XWQUTIKRNCDJOM-SJLPKXTDSA-N 445.995 4.914 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1705785653 QJYHGCGLVDSBNI-MRXNPFEDSA-N 431.531 4.592 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705813350 DTAKTQPDZOYWAF-SFHVURJKSA-N 429.977 4.908 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 1705817074 BQMGCCBOMHDJJZ-OALUTQOASA-N 431.625 4.841 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1705817726 QVPNFMWMXOUHQM-UHFFFAOYSA-N 444.023 4.756 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@H](F)C1)C1CC1 1705854478 KWTPZTWVNAQVNC-GUDVDZBRSA-N 447.599 4.686 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[C@@H](c3ccnn3C)C2)cc1 1705909796 IEMGJXJFOVDPMP-TZIWHRDSSA-N 434.588 4.522 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1CCCCC1 1705941521 MFXMJDPDJGPEAT-UHFFFAOYSA-N 428.602 4.652 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1 1705948822 GBBDZZCCXVKVNI-UHFFFAOYSA-N 444.645 4.689 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC[C@H]1C 1708024855 FOCDSSQHFFHRKP-AXMKBWGCSA-N 434.632 4.810 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)C1(C)C 1710587997 BZKJWTMPOTUQRY-VQTJNVASSA-N 427.618 4.598 30 10 IJEE CSC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1712762052 FGFKVOGGKBZOMX-NRFANRHFSA-N 427.643 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSCC(C)C 1722390062 OVLVRCCYGJLDIS-LJQANCHMSA-N 440.682 4.984 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)CC1CCCC1 1722456839 HFPCAAZHRFSLKS-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN(CC)C(C)C 1722512447 DCNCHDLSVJDHFC-UHFFFAOYSA-N 434.426 4.840 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(C)(F)F)c2)CC1 1722574729 QQBUJGJGJFLURH-KRWDZBQOSA-N 434.531 4.565 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1722579467 FHEQBNKNUVFQOW-UHFFFAOYSA-N 426.973 4.782 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722587519 RKPFWGOEYONMLT-HXUWFJFHSA-N 437.632 4.867 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1722595882 WXXVUAOQTRFNLF-CPJSRVTESA-N 442.579 4.995 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](c3ccccc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722609851 HGKYJKULCUOFCK-ATIYNZHBSA-N 438.616 4.977 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722617374 JYCSXHIBTXYKCB-QGZVFWFLSA-N 429.977 4.523 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1cc(C(F)(F)F)ccn1 1722635307 VXJUYQJGGRIVII-OAHLLOKOSA-N 449.452 4.836 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCSC1(C)C 1722655132 GHAWFSRNOFVVDF-HXUWFJFHSA-N 432.597 4.869 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccncc1Cl 1722665580 NWHZBUGNIJYKBS-UHFFFAOYSA-N 431.874 4.822 30 10 IJEE COCC(C)(C)CCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C#N)cc1 1730427283 CUFJBMHWTQZDAV-UHFFFAOYSA-N 432.572 4.609 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](COC)C1 1740572748 VKBVSKQVAMXTQA-SFHVURJKSA-N 445.405 4.764 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccsc1 1740590561 NANKSOMURYVYMI-LJQANCHMSA-N 443.617 4.504 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1740743660 AYKVEVRDOKLAMC-RTBURBONSA-N 447.377 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCc2ccccc21 1740770046 DPCIQYXOXTYUJJ-UHFFFAOYSA-N 436.991 4.849 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)N[C@@H](C)CC)CC1 1740820344 ZNHYGGDJSOCNGM-SFHVURJKSA-N 441.645 4.737 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1740855730 NYFHYYVBSHYDEC-OAQYLSRUSA-N 449.624 4.767 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 1740875393 BURPDSXLQBYTTN-AABGKKOBSA-N 429.609 4.738 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC2(CCCCC2)O1 1741805864 GLOQJBMGWBEHOI-UWHLTILDSA-N 443.636 4.817 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](CC)C1 1748731670 IVSRCCSTHUHLOZ-WIYYLYMNSA-N 428.602 4.562 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C)(C)CC1 1749124753 OZWSVOPWWDBSBI-AVRDEDQJSA-N 440.588 4.570 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1749390671 HBYJHJVXILTSMW-YLJYHZDGSA-N 428.556 4.687 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1749414847 KAGZUIYPHWFYPT-FQEVSTJZSA-N 432.515 4.908 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CC=CCC1 1749529241 ADFLFWVJFRNMTP-NRFANRHFSA-N 429.568 4.821 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCCC1 1749587384 RDOMIMADLPEUMY-UHFFFAOYSA-N 444.583 4.521 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC(C)(C)[C@@H]1C 1760133909 UFRHVXFHTVBASQ-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@@H](F)C1 1760211517 JAMQPTDGMILMNU-TZIWHRDSSA-N 447.583 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1760414605 WXVWGUVLXJZBEX-PMACEKPBSA-N 445.652 4.963 30 10 IJEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1760449041 YEJFUJKJQBIHQI-UHFFFAOYSA-N 447.583 4.569 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCC1 1760456375 NUMRJQYVDUTRMP-GOSISDBHSA-N 432.012 4.795 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)c(OC)c1 1760457104 GSYUHGXDAXAOPG-INIZCTEOSA-N 438.597 4.819 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1cccnc1OCCC 1760457977 OAFBEFFGULNRIY-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1oc(CC)nc1C)C1CC1 1760470744 BOZVJBJKAOSQJW-MRXNPFEDSA-N 425.508 4.619 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)n1 1762211457 HTRBUPKQDIYPOW-JKSUJKDBSA-N 431.569 4.658 30 10 IJEE COCC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1770841444 CINDJEHLOVTRSG-FQEVSTJZSA-N 439.604 4.667 30 10 IJEE CCCCCCCOc1cccnc1NC(=O)NC[C@H](c1ccc(OC)cc1)N(C)C 1858798955 JFMPVRMGGGEFAT-OAQYLSRUSA-N 428.577 4.864 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)NCc1cccc(C(F)(F)F)c1 1860736610 VNJBAKFXYHZRGV-FNORWQNLSA-N 430.195 4.506 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccccc1F 1861744136 PWOOOPOGVUPHEY-HSZRJFAPSA-N 430.539 4.712 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862383460 OTSUXCWMZWDPMS-SFHVURJKSA-N 448.302 4.767 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862415485 YHMCFJXVYOYUHB-QFIPXVFZSA-N 445.425 4.620 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862430368 JBIUDPCOQZRXFU-FQEVSTJZSA-N 431.891 4.873 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862433033 SNYDDKQMNIFMDB-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862436421 SHLLAYNJCNVPJB-LJQANCHMSA-N 428.872 4.873 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(O)cc2)cc1 1862613511 JNCPTCITQBMBBV-QHCPKHFHSA-N 442.515 4.863 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)O)cc1 1862651232 OHMSUPMNXSMBAI-JOCHJYFZSA-N 429.472 4.916 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)ccc1O 1862677465 FMBGGCWDFQKLRI-WNSKOXEYSA-N 447.462 4.879 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(C)ccc2C)C1=O 1863028857 TZRDSCRDHQDPKA-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE CCCOc1ccccc1NC1=C(c2cccs2)C(=O)N(c2cccc(C#N)c2)C1=O 1863113836 YHPZTSJBKYEWGJ-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCN(C)C)C1=O 1863788980 NAMGUKBZMIHDLJ-UHFFFAOYSA-N 431.596 4.506 30 10 IJEE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2cccnc2)n1 1868553547 QSLLYNKYTCVZNG-DEOSSOPVSA-N 436.523 4.637 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C 1868658990 CLQJDZRNWUHISK-UHFFFAOYSA-N 437.584 4.585 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1 1868723340 CBUYINWKXBGJPL-GOTSBHOMSA-N 426.507 4.582 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2cccc(C(F)(F)F)c2)cc1 1870144893 MXIHSLGWPKBLQQ-UHFFFAOYSA-N 443.429 4.518 30 10 IJEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870813731 YWTIIHXWPHMOLC-UHFFFAOYSA-N 437.471 4.683 30 10 IJEE N#Cc1c(NC(=O)COc2cc(-c3ccccc3)c3oc(=O)sc3c2)sc2c1CCC2 1871288818 JTGVJKDGCDCNFX-UHFFFAOYSA-N 448.525 4.961 30 10 IJEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2ccco2)CO1 1871345741 LBQQWGDDYYCPFJ-JMIUGGIZSA-N 425.387 4.849 30 10 IJEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 1871352988 KNKBFNSIUZEPBX-KHHQKVBQSA-N 447.506 4.678 30 10 IJEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871371933 PXZRGXHHBDKCOP-NHDPSOOVSA-N 433.391 4.807 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c(OC)c1 1871386093 CKGPQABRNMEWMO-CFRMEGHHSA-N 445.471 4.605 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 1871453775 QVBZKAKRALPLFM-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN=c1nc(N2CCC(Cc3ccccc3)CC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871493847 GJVFYFZSONLOLU-UHFFFAOYSA-N 442.611 4.639 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1)S(=O)(=O)CCC 1872505036 FPKXUWLLJOQNRN-NRFANRHFSA-N 434.989 4.946 30 10 IJEE N#C[C@@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872772279 BSBOBSSEUKWPAD-IBGZPJMESA-N 427.485 4.862 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C(=O)O[C@H](C)CC)cc2)[nH]1 1873469834 JSTHVCPOKLZJDN-QGZVFWFLSA-N 442.523 4.534 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccco2)c1 1874309803 ONEIWOWRSQJHPI-MFKUBSTISA-N 436.512 4.979 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2cccc3ccccc23)cc1C 1874359246 XBCVJKSBEMZWQM-YZSQISJMSA-N 430.577 4.996 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1O 1874421411 LCTOAFUEAANYGV-SSDVNMTOSA-N 426.498 4.731 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1Cl 1874439753 QRECMFSGBODIMV-ZVHZXABRSA-N 448.036 4.943 30 10 IJEE CCCNC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874455512 WCSBYOIAKKQNEE-FOKLQQMPSA-N 440.400 4.743 30 10 IJEE CCCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2ccc(C)cc2)cc1 1874536522 ITSNTKOBEINHDJ-MFKUBSTISA-N 437.569 4.769 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2c(C)ccc(C)c2C)cc1OC 1874566870 RXHYDCOAHYACRN-ZMOGYAJESA-N 440.569 4.751 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1OC 1874567288 ORIJUOYREUKHEG-ZVHZXABRSA-N 426.586 4.615 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccccc1 1874591786 BSJQNLMNENIFGB-ACCUITESSA-N 435.907 4.940 30 10 IJEE Cc1cccc(C)c1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874705810 BFKAKNUGCNJIHZ-PKNBQFBNSA-N 444.483 4.955 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 1874723737 MZSOPIMBZBXZKI-GOSISDBHSA-N 426.944 4.993 30 10 IJEE O=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NCC#CCN1CCCCCC1 1891455029 MQYUPFBARDGODD-UHFFFAOYSA-N 448.010 4.881 30 10 IJEE Cc1ccc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)cc1Cl 1892136937 IXRQGKUBARMXBH-RTWAWAEBSA-N 427.957 4.552 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H](CC)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1901530872 MUMVNBBVBVNGDF-SANMLTNESA-N 438.527 4.948 30 10 IJEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1922772199 QUQAIWJKRGKIJU-IBGZPJMESA-N 435.487 4.715 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)[C@]2(CCOC2)C1 1934841057 BFRJHWAEDRVRAZ-SXOMAYOGSA-N 447.579 4.751 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C1 1941498903 ZHXMYEGFPOOHDR-QMHKHESXSA-N 431.533 4.728 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1992380507 ALMPRPVZZVRDKP-KGLIPLIRSA-N 435.487 4.714 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNc2cc(Cl)ccc2C#N)C1 2025249805 RPQFRFBLSQIPLK-NRFANRHFSA-N 440.975 4.745 30 10 IJEE CCc1nn([C@H](c2ccc(C)cc2C)C(C)C)c(I)c1/C=N/O 2079015422 UOCMKCVFQFQIPY-MZYRPWKCSA-N 425.314 4.720 30 10 IJEE CCc1ccc([C@H](CC)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2079062663 UBWSSEKILVUUAU-YODDIOPGSA-N 425.314 4.981 30 10 IJEE Cc1ccc([C@@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)cc1F 2079072821 YUORPRUVRMQDQL-UPWAIKHBSA-N 429.277 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1c1c(C(F)(F)F)nn2c(Cl)c(C#N)cnc12 2081492921 AAXIXABNIABFOF-LLVKDONJSA-N 429.830 4.735 30 10 IJEE C=CCC1(Nc2ncc(Br)cc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2106023423 GLZKMJUAQDHEDK-UHFFFAOYSA-N 436.272 4.840 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNc2cc(Br)cc(F)c2C#N)CC1 2107449711 KZACDBBZOUFWEU-MQMHXKEQSA-N 426.330 4.955 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111268268 LOQJEQNLDQSKPX-QZTJIDSGSA-N 443.813 4.848 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124519949 PDEFIPMMOKADQV-GOSISDBHSA-N 444.381 4.661 30 10 IJEE O=[N+]([O-])c1cc(Br)c(OC[C@H](CS)C2CCC2)c(Br)c1 2145982972 SUSVRESSVSYBKF-SECBINFHSA-N 425.142 4.845 30 10 IJEE C[C@H](NC(=O)c1scc(Cl)c1Cl)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631401 NIPXZNMAQSZCTJ-VIFPVBQESA-N 432.203 4.907 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3cc(Cl)ccc3Br)c2)OC1(C)C 2178296528 KFQVLBIPPDNUIH-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CN[C@@](C#N)(COc1cc(Cl)c(Br)cc1Cl)C1(Br)CC1 2206640081 OZOFYOOIODBYSQ-ZDUSSCGKSA-N 442.966 4.544 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@]12CC[C@@](C)(CN1C(=O)OC(C)(C)C)C2 2235729831 NVGHGWDRYAUOPY-BWAGFHJFSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@]1(C)CCN1C(=O)OC(C)(C)C 2237729527 LNKAACMBSNWIHZ-AVRDEDQJSA-N 435.406 4.958 30 10 IJEE C[C@@H](C#N)C1CCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243917983 ZOFGUVAQZFNGLA-IBGZPJMESA-N 445.563 4.704 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2261960086 UKHRPLIJDSQJCG-DQEYMECFSA-N 435.564 4.532 30 10 IJEE CC(C)(C)OC(=O)NC1(c2cccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)c2)CC1 2267500379 HZKPRRAACKSEHR-UHFFFAOYSA-N 442.365 4.765 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1c1c(Br)cccc1C#N 2285217610 XGBPMXVMTFKDST-OAHLLOKOSA-N 444.320 4.840 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2296219900 SNFFIFBDBBELDY-OALUTQOASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)C#Cc1cccc(Br)c1 2296220271 WKTLDXJCHBYWFK-IBGZPJMESA-N 426.310 4.736 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2cccc(Br)c2)CCC2(CC2)CC1 2296223789 CYZYNLIGSGRLJG-UHFFFAOYSA-N 432.358 4.987 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](O)(C#Cc1cccc(Br)c1)C2 2296225105 RAWAOMKGZGKXEG-JOCHJYFZSA-N 434.374 4.733 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@H](N)C#Cc2cccc(Br)c2)C1 2296274272 SYVUQSPFDQDDDI-KPLVRAHFSA-N 433.390 4.555 30 10 IJEE COc1cc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2ccccc2)ccc1O 2296917070 FIPNWKDLZYPFQW-DEOSSOPVSA-N 427.456 4.583 30 10 IJEE O=C(C=Cc1ccc2c(c1)OCO2)c1ccc(C(=O)C=Cc2ccc3c(c2)OCO3)cc1 2297342129 MCGKCNNVXULKEU-UHFFFAOYSA-N 426.424 4.936 30 10 IJEE CCCN[C@@H](C#CC1CC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300408202 ZDYKCXZSJRMOPL-OZXSUGGESA-N 426.601 4.612 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2309992069 XNVZTSURPKFCPN-NVTAWBTOSA-N 443.544 4.728 30 10 IJEE Fc1ccc(COc2ccc(C=Nn3c(S)nnc3Cc3ccc(F)cc3)cc2)cc1 2321978824 FMVPNRBLIHOKON-UHFFFAOYSA-N 436.487 4.897 30 10 IJEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)c1 2322119056 OANUDXHGFFXZNP-UHFFFAOYSA-N 448.563 4.648 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(OC)cc4)c3C)C2=O)cc1 2322904094 HQRTXCGNDSCOIZ-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE CCOc1cc(C=CC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 2323212604 IVACGJBGVYCAME-UHFFFAOYSA-N 429.516 4.905 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 2325727947 DBRCKJSBECOSLO-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3)c2)c1 2325743826 MTFJJKOSLSTINE-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OC)c2)c1 2325744440 SHJJFZNNSXDOBY-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCn1cc(C=Nn2c(C)nnc2SCc2ccc(C(=O)OC)cc2)c2ccccc21 2326783759 URQPYUUITDPPMJ-UHFFFAOYSA-N 433.537 4.522 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)c2ccc(-n3cccc3)cc2)cc1 2328215065 SEGBCQVXFKGYTA-FTJBHMTQSA-N 441.575 4.591 30 10 IJEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccc[nH]2)c1 2328486383 LGUWWPHADYKALT-UHFFFAOYSA-N 446.536 4.897 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)C=Cc3ccccc3)C2)c1 2329101168 YONOKRFJIQGBMN-XMMPIXPASA-N 431.580 4.958 30 10 IJEE CCCNC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(C(C)(C)C)cc1 2330566809 BGKFJFUIFNCCSN-UHFFFAOYSA-N 441.626 4.805 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331443787 VVEWLWANMCVZLU-UHFFFAOYSA-N 441.436 4.570 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2cc(Cl)ccc2O)o1 2331696005 BGCGWCRTVCTELH-UHFFFAOYSA-N 448.932 4.705 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339580709 FXDGHZZFPZXPDX-UBJZUDALSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339597348 PZITUCCTTAVWJH-QHSLDKKCSA-N 444.381 4.752 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H](N)C#Cc2cccc(Br)c2)C1(C)C 2370145311 PUSGSFACNKVLHZ-YTQUADARSA-N 435.406 4.848 30 10 IJEE CCOc1ccc(NC(=S)/N=C(\NCc2cccs2)Nc2nc(C)cc(C)n2)cc1 14157251 PTYAGBMHEFRGPD-UHFFFAOYSA-N 440.598 4.508 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 29148300 DDGUIAKWAPREIN-UHFFFAOYSA-N 426.494 4.653 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1ccccc1OC 33787643 GEPJESOXCXAUMY-YQMDHOPXSA-N 431.945 4.637 30 10 IJEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(N/N=C/c4ccco4)n3)c2)C1 33960042 YCZOWDHLPBNCQX-RULQDBOMSA-N 444.582 4.516 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)s1 35567610 JZJJLDSEJFJZKQ-KRWDZBQOSA-N 428.897 4.785 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)CC(c3ccccc3)c3ccccc3)c2C#N)C1 38804639 BUWLFYLSDFONNJ-UHFFFAOYSA-N 429.545 4.685 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC)c(OC)c4)c3C)C2=O)c1 41289456 DLJNXHJHVHVYIU-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE COc1ccccc1/C=C1\S/C(=N/N=C\c2ccc(F)cc2)N(Cc2ccco2)C1=O 47137966 NRUHGZAGUKUFTK-ZJHZAIRNSA-N 435.480 4.934 30 10 IJEE C/C=C/c1ccc(OC/C(O)=N/c2nc(-c3ccc(Br)cc3)n[nH]2)c(OC)c1 63497584 MRKJGSCVOMRXQG-ONEGZZNKSA-N 443.301 4.943 30 10 IJEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)cc1Cl 169897748 OXUXVHZGWUNNPA-XYGWBWBKSA-N 448.995 4.842 30 10 IJEE CCCOc1c(Br)cc(/C=N\n2c(SC)nnc2C(C)C)cc1OCC 169915789 PTLMRPJIFWSHAY-JAIQZWGSSA-N 441.395 4.956 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)c1 170063452 SEYQAMIZWXUPHU-HSZRJFAPSA-N 442.446 4.879 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(O)c2)cc1 170080283 HHXQWHITYRVSQB-HSZRJFAPSA-N 441.439 4.930 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(C)o2)c1 170099568 UJSPJFVIAKIFEZ-NRFANRHFSA-N 448.431 4.678 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170114888 RVBFPBXWIPZAAH-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(N(C)C)cc1 170129145 UNHMKTJSESIWFH-OAQYLSRUSA-N 442.943 4.793 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 170169487 UKRVLGAYVJRQPX-LJQANCHMSA-N 426.806 4.796 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)cc1C 170187205 BQLGEEAVZSGEPH-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccncc1 170203573 HVSYFSRHDPTUSO-HXUWFJFHSA-N 434.879 4.835 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccncc1 170211822 RUWBZJZIUDIHKL-HSZRJFAPSA-N 430.504 4.628 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170223074 RIXBNSJCOFEENH-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 170244743 GCAYOVZRPFODTG-QFIPXVFZSA-N 425.500 4.872 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1C 170250665 KRVGQZSBLOYUGY-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3cccc(O)c3)ccc2O1 170257946 WAHLWMHGRPHIIM-PSLXWICFSA-N 445.446 4.638 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C[C@H]1CCCO1 170273691 IGKUVIRMMLUYCY-NFBKMPQASA-N 435.520 4.540 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccc2ccccc2c1 253575643 UWDSZWBLECEMIA-UHFFFAOYSA-N 425.517 4.887 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2ccc(COc3ccc(Cl)c(Cl)c3)o2)cc1 254558521 KQTJJPWVNXYOPK-UHFFFAOYSA-N 439.320 4.786 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H]2C 439223457 IEGKPKXUVDIWEH-GOSISDBHSA-N 444.539 4.655 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccccc1Cn1ccnc1)c1ccc(C(F)(F)F)cc1 443029741 RXDWTCVKBWNZIE-FQEVSTJZSA-N 449.498 4.936 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 461610852 DMNQJPARICAHJG-YLJYHZDGSA-N 435.959 4.574 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cccc(COC2CCOCC2)c1)c1ccc(F)c(F)c1 477090526 RSJPNNMJUCDUPS-QHCPKHFHSA-N 430.495 4.777 30 10 IJEE CSc1nc(O)c(C(=O)NC[C@@H](Cc2ccc(Cl)cc2Cl)C(C)C)cc1C#N 485437783 ZBVHBXVEFCLQHY-CQSZACIVSA-N 438.380 4.932 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@]2(C1)OCc1ccccc12 509001154 MAJBYAGERPMVJQ-RUZDIDTESA-N 448.592 4.791 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526488508 KBLVMBTYYPVDGA-DEOSSOPVSA-N 425.488 4.690 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)cc1OC 526515554 JOUQLCAJBBKTDZ-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccccc2C(=O)O)c1 526518000 WASVJJASFWZUBG-OAQYLSRUSA-N 430.847 4.967 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)Nc2ccccc2OC)CC1 549250527 XUAKJEUOVRVDFO-UHFFFAOYSA-N 449.555 4.595 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 549636523 AGIQQHHDLRGBOD-SFHVURJKSA-N 448.036 4.685 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](C(=O)OC)C1 558965537 WRQDWJNGUDELQI-RXVVDRJESA-N 434.540 4.537 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N3CCC[C@@H](C)C3)C2)c1 585963159 CFQFAZYGJVZJDR-KNQAVFIVSA-N 426.605 4.570 30 10 IJEE C=CCN(Cc1cccc(C(=O)OC(C)C)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586142577 NOCZFSRGVYELDC-UHFFFAOYSA-N 429.582 4.926 30 10 IJEE Cc1cccc(OCCCC[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 586346974 JLWFUFWLPFBXAT-ZQHDKMAOSA-N 444.622 4.599 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccco3)CC2)cc1 586505994 CIGMPOVIGJJZJT-UHFFFAOYSA-N 433.570 4.849 30 10 IJEE Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 610030450 DYPUYIVETKVEKP-IBGZPJMESA-N 427.504 4.687 30 10 IJEE C=C(C)CN(C)c1nnc(-c2ccccc2OCc2ccc(F)cc2)n1C[C@H]1CCOC1 670347582 IZAKDXWGWMZZEC-HXUWFJFHSA-N 436.531 4.712 30 10 IJEE C=C(COC(C)C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686823731 MZWYQNOXELFVAI-HSZRJFAPSA-N 445.648 4.505 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698379578 XVFFWMQEXRJSAT-HOYKHHGWSA-N 429.561 4.963 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cncc1Br 698383145 YLAYIADBUKIONW-GFCCVEGCSA-N 433.144 4.817 30 10 IJEE C#CCN(C(=O)C[C@H]1CCOc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 735440539 GJOIWSKOIJOVHX-OXQOHEQNSA-N 440.337 4.691 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 786012195 UIDPTUGMRZYUGA-XMMPIXPASA-N 436.515 4.811 30 10 IJEE C=CC[C@]1(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)CCCN1C(=O)OC(C)(C)C 790250791 SNMALORMZRENPV-RUZDIDTESA-N 436.556 4.524 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCC2(CCCCC2)C1 802595364 AWWQENAWDAZXOW-UHFFFAOYSA-N 437.588 4.831 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1)c1ccc(Cl)cc1 810470470 GNPKTRPWVBHROB-RTFZILSDSA-N 438.955 4.865 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCn3c(cc4ccccc43)C2)c1=S 812300237 MHPYPUPMFIHINN-UHFFFAOYSA-N 431.565 4.704 30 10 IJEE CCSc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1126022751 IBHNIUAYVJEXGA-PBHICJAKSA-N 427.957 4.554 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cnc(-c3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 1126676026 ACUOWCXFFBJPLF-QHCPKHFHSA-N 427.570 4.772 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)C1CC1 1129013860 ASTQWMCBJYEAPJ-UHFFFAOYSA-N 444.604 4.948 30 10 IJEE C=CCCCCCCCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C 1129465273 BXDWZOMOHWXSCQ-UHFFFAOYSA-N 430.286 4.764 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)c1 1134838273 TWOUURHKIZASCF-UHFFFAOYSA-N 431.452 4.666 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c1C#N 1136362584 BSBBZWBORLAQFV-HSZRJFAPSA-N 434.609 4.756 30 10 IJEE C=CC[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)OCC 1138146370 LAEFPSPLUDPVFW-MRXNPFEDSA-N 434.901 4.637 30 10 IJEE C#C[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)c1ccc(Br)cc1 1141460988 LVFCQWVXCYZMTE-ROUUACIJSA-N 437.378 4.521 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 1181372307 IFKFFUBVNGORKQ-QPPBQGQZSA-N 447.023 4.559 30 10 IJEE C=CCC1(CNC(=O)N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)CCCC1 1228270794 VNBUGZPLYZAPLZ-UHFFFAOYSA-N 441.597 4.765 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccc(C(F)(F)F)cc1 1230693993 OPOISJSJBSNBFO-VQIMIIECSA-N 425.495 4.611 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 1253384163 YQCHPIZSQZRCMW-YZGWKJHDSA-N 433.296 4.763 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cnc3ccccc3c2C)c(C(=O)OCC)c1C 1264357176 GTBVSWDJHYQYKJ-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE C=CCOc1ccc(CC(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cc1 1265302468 HUZZMHXPVRQEMT-UHFFFAOYSA-N 442.559 4.772 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc1Cl 1273993968 CMNULLJCROXMJQ-ZDUSSCGKSA-N 435.417 4.792 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCCCC1 1286567619 RTBVIHDPQKLYCG-AVRDEDQJSA-N 430.980 4.872 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCN(C2CC2)CC1 1286567900 PGVWBSMACQGYGE-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(COC)CCOCC1 1286569283 KWJMNBNUEQDANK-UHFFFAOYSA-N 436.959 4.583 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CCc2sccc2C1 1286612995 MQGMJLBIFRRESX-UHFFFAOYSA-N 438.597 4.636 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCc1cnccn1 1286622230 NGSJTBMLQDQVSF-UHFFFAOYSA-N 447.974 4.574 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286666034 BWTUCMGOJODAIK-FQEVSTJZSA-N 434.588 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)(C)C)CC1 1286676034 VKNIAWHVDZKVPZ-UHFFFAOYSA-N 428.625 4.526 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H](CC(C)C)N(C)C)C1CC1 1286733268 WOQSCRCEDYUCNK-SFHVURJKSA-N 446.437 4.839 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC=C(Br)C2)cc1 1286796241 JYXMNCOLMVYHRT-UHFFFAOYSA-N 445.405 4.969 30 10 IJEE C=CCN(C(=O)c1ccc(Nc2cccnc2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1296421412 WATWZUGSAASPDX-XMMPIXPASA-N 429.520 4.628 30 10 IJEE C#CCOc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 1296572965 BOAFJRRIVFOHNM-UHFFFAOYSA-N 426.266 4.885 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CN(C)c1nc2ccccc2s1 1299169531 SZIZKUSOTNPXSL-UHFFFAOYSA-N 432.343 4.699 30 10 IJEE CO[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)C1CC1 1299718409 AEKABYWYXSMVAM-FQEVSTJZSA-N 446.020 4.779 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](Cc1ccccc1)OC 1300284283 QXDHVZHNYJWYMT-DENIHFKCSA-N 448.636 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C2CC2)cs1 1300285215 YNEFFYAHWXKHDG-CYBMUJFWSA-N 442.386 4.548 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1300353682 XNIQUYBRFGBVEZ-UHFFFAOYSA-N 444.486 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1300883412 APAWOQWQKQLBOL-LQWHRVPQSA-N 448.970 4.582 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301234039 CRQQGNMXGBEMGU-QGZVFWFLSA-N 443.020 4.917 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCc2sccc2C1 1301280347 IIGZHDCBNSBENI-UHFFFAOYSA-N 435.641 4.985 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1OC(F)F 1301310947 VTJSCWXBIVDZBL-IEBWSBKVSA-N 434.531 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[C@H](O)C1 1301365473 QFVKSMRGYOPAOW-ICSRJNTNSA-N 440.588 4.813 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2[C@@H]2C[C@H]2CF)C1 1301565713 JPKYPJSNBHVSLM-IRFCIJBXSA-N 428.552 4.601 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)OC)c2ccccc2c1 1302884219 FLGPBZIKKQUQRH-FQEVSTJZSA-N 426.513 4.815 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc(OC(F)(F)F)cc1 1303935060 HTXSOIUSHXFKSK-OAQYLSRUSA-N 435.494 4.847 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1306722287 GJJDNALVOACXOI-NRFANRHFSA-N 442.558 4.707 30 10 IJEE C=CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@H](Cc1ccccc1)C(=O)OCC 1308687386 AKUDHZQOTXPPDI-MDNUFGMLSA-N 444.616 4.684 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)c1ccc(Cl)cc1F 1310115337 JLCIMDFPFBUPKH-SFHVURJKSA-N 429.879 4.501 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1)c1ccc(Cl)cc1F 1312941284 DRKXAQBHTICMIO-ZWKOTPCHSA-N 425.262 4.729 30 10 IJEE COCCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H](C)CC#N)CCC1 1315978087 HBBLRDBUVRTGRS-INIZCTEOSA-N 446.393 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Br)nn1-c1ccc(C)cc1 1355768290 RCTFZTWCMPFTGZ-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CCCc2ccc(OC)cc2)s1 1357156479 DTBBQZGPFCPBSQ-UHFFFAOYSA-N 425.019 4.938 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 1358414627 JRQVCBOFUDPTLM-MEDUHNTESA-N 447.347 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](c1cccnc1)C(C)C 1358887599 ZPKQCHXPXYFTES-UGKGYDQZSA-N 440.551 4.893 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359087810 QRTBMZRKGKGTSM-RUYXUALKSA-N 431.378 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C1CCCC1 1359093302 LZUUZDHKCLXNCY-KXBFYZLASA-N 448.409 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1359112592 NUWOGGPENDYYNI-IBGZPJMESA-N 438.494 4.912 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359123883 VNPTXOJWUHDZQG-RTWAWAEBSA-N 425.621 4.784 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC=C(Br)C1 1359131469 VBXPNBJGEJPLJR-UHFFFAOYSA-N 442.361 4.508 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCOC2)C1 1359155626 FEAUORHWASOTBD-LJQANCHMSA-N 443.762 4.533 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359199894 LLBIPGHRUFMTMQ-RUZDIDTESA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C(C)(C)C1 1359213846 JFSAKLUXPQAGMV-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(-c2ccsc2)nc1 1359243390 PTRJMUSKMMXTQC-UHFFFAOYSA-N 445.592 4.866 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCCc1nccs1)C1CC1 1359247157 UHNCSWKHGIYCGL-UHFFFAOYSA-N 444.402 4.952 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(N(C)C)CCSC1 1359268047 BIYMHPHWKQPKQS-RUZDIDTESA-N 439.673 4.858 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1435136562 MANRJGJWHQUTKJ-GCJKJVERSA-N 442.918 4.818 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cccc(OCc4ccccc4)c3)ccc2c1=O 1454251750 MIYIIQJRXUPZPO-UHFFFAOYSA-N 443.528 4.703 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@](CC)(C(=O)OC)c2ccc(Cl)cc2)cc1OC 1459979912 IXGHZPKOZVFIGM-WLXIZUKCSA-N 443.927 4.521 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc(OC)c1OC 1461283814 LARNQWUHNODHQH-LEWJYISDSA-N 437.536 4.732 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1 1463273073 CZBTZULVJDWTJL-UHFFFAOYSA-N 426.847 4.708 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 1463568670 DASURHJSQVDONN-UHFFFAOYSA-N 427.328 4.794 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C 1465997855 FHETYIRBTYVPJZ-LJQANCHMSA-N 446.979 4.648 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC[C@@H](C2OCCO2)C1 1466941250 BPOKTYIRSLRZEX-LLVKDONJSA-N 444.347 4.593 30 10 IJEE C=CCC1(CNC(=O)N[C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)CCCC1 1468078782 MKAZOKQDQAYIFM-NRFANRHFSA-N 427.589 4.575 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1 1469491584 PESXOLVCXBFSOD-HKUYNNGSSA-N 449.448 4.957 30 10 IJEE C#CCCCCCCSc1nnc2n(-c3cccc(OC)c3)c(=O)c3ccccc3n12 1472911203 SMIWMNWWADKAOU-UHFFFAOYSA-N 432.549 4.718 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 1475216089 GRECHPXXZGJHGR-SFHVURJKSA-N 437.334 4.588 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2)c1ccc(C(F)(F)F)cc1 1478272259 KFXAOOPJWUTOOZ-UTRMSSBJSA-N 439.478 4.631 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 1478842754 CXBJIWDPCMVZLK-XMSQKQJNSA-N 438.369 4.972 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC(F)(F)C1 1507524944 XDYACKPGXLPNAQ-STQMWFEESA-N 441.295 4.740 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CC1CCC(C(F)(F)F)CC1 1507667725 VILFQCLXAJMEDS-UHFFFAOYSA-N 432.465 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507761431 GXDYHBXVQPLRAA-LJFZDNNRSA-N 442.007 4.827 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(OCCC)nc1 1507762262 RVBJZGBHWGEGIW-AREMUKBSSA-N 429.568 4.732 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1C1CCC1 1507789537 DRTXTSUAVLFBDI-FQEVSTJZSA-N 445.405 4.749 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCCCCC1 1507818368 LSFOHGBNSHCYAW-UHFFFAOYSA-N 434.588 4.823 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507830858 IQRBFZRLXLIAQC-JOCHJYFZSA-N 425.596 4.677 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1507833954 QXQJDNJNFDNPGG-QFIPXVFZSA-N 436.556 4.902 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1507846577 QCYCGSSIXIRMMN-FQEVSTJZSA-N 426.561 4.656 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1507852534 AWTNCOHTDGVISJ-RTBURBONSA-N 447.986 4.622 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1507909690 OTANUFUEYLXYNQ-DHIUTWEWSA-N 440.588 4.707 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@@H]1CCOC1 1507957798 KXAVLCJUVHPRCU-INIZCTEOSA-N 447.004 4.879 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N(C)C1CCCCC1)C1CC1 1507991300 UOUGRPIHKBHTAF-UHFFFAOYSA-N 427.980 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccn1 1508009514 QPNJPKIZRVJEDM-UHFFFAOYSA-N 446.536 4.745 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1508011432 DQVKTNHKUJSJEB-OYRHEFFESA-N 432.616 4.752 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1508019793 JHWMESFIMMIEIC-ILBGXUMGSA-N 429.568 4.610 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1 1508103643 GACGDMUFHGPGOT-NRFANRHFSA-N 426.605 4.731 30 10 IJEE C#CCCOc1ccc(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)cc1 1525437971 VPPDIYNKXYDIPD-UHFFFAOYSA-N 427.342 4.726 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc(OC)c1OC 1527042897 RQGMYZPYHPKHAM-UHFFFAOYSA-N 435.524 4.899 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1530083711 BBDRXRZGTFONMA-INIZCTEOSA-N 425.326 4.577 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC)c1ccccc1 1538971559 BYMPGHRBRVFOJJ-HOTGVXAUSA-N 426.362 4.687 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1CCO[C@H](C)C1 1539154636 QRPBQYIGRGNQEY-IRLDBZIGSA-N 431.584 4.627 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nc(C)c(C)s1 1539359752 QXXFIQSQHQMLGO-UHFFFAOYSA-N 437.613 4.951 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CCCC1 1539600555 PEYBIMMWYJPLRY-UHFFFAOYSA-N 425.321 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1 1539643091 UACXROIRPUENRA-SSGKUCQKSA-N 438.616 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1N(C)CCCC1(C)C 1539675752 CMXMDMZZQXEHSI-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1539774597 CVYZMTZOJIGGEK-IXDOHACOSA-N 437.009 4.900 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1539823644 HATLGRWHXWGQBF-LJQANCHMSA-N 434.943 4.572 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1539896433 OSEUZUZEXMFYHN-JOCHJYFZSA-N 440.588 4.768 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1)c1ccccc1 1539947813 LXZBXZCTZBTQCP-JOCHJYFZSA-N 448.590 4.697 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1540006774 XHRKKKRDXVKONP-OAQYLSRUSA-N 449.643 4.618 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(CCCC)cc2)C(C)C)c1 1540430698 VVBLZZTVTVFPRW-XMMPIXPASA-N 425.594 4.953 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(Br)ccc21 1542177649 TUSIISTYOHXDHL-KRWDZBQOSA-N 437.378 4.978 30 10 IJEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2[C@H]2C[C@H](c3ccccc3Cl)C2)n1 1543006140 GWGOYLJQBCVTAM-WDSOQIARSA-N 437.979 4.650 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)C(F)(F)F)cc1 1544661284 FELGTQRKAJYKDI-IBGZPJMESA-N 429.394 4.524 30 10 IJEE CCOC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)[C@@H](C)CC#N)CCCC1 1547932103 CGKGWVIDDRJFHL-FQEVSTJZSA-N 425.577 4.562 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccccc2Nc2ccn(C)n2)s1 1558111091 UFUKNJJAVIGHGI-UHFFFAOYSA-N 433.990 4.954 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)CCCC)cc1 1562088019 SRQNOIRHAOMMFF-UHFFFAOYSA-N 429.586 4.717 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3s2)cc1 1562197854 VMZVQZGPKJBLAQ-HNNXBMFYSA-N 429.567 4.591 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 1562441708 LNUNCBFVPMNWLL-UHFFFAOYSA-N 440.450 4.595 30 10 IJEE C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 1564793454 PKQZUMIOZGGCTQ-SYYKKAFVSA-N 445.579 4.774 30 10 IJEE C=CC1(CC(=O)N2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCCC1 1570325663 SJRVTTBVSUWKTL-RTWAWAEBSA-N 434.621 4.824 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1587809080 YQYLZUGEMCJQOX-LJQANCHMSA-N 431.625 4.678 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc(C)c2C)CC1 1587898515 QQQGSLCJBFOKJD-ISKFKSNPSA-N 449.643 4.554 30 10 IJEE C#CC[C@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1588166187 ICWWGSOKGRRZLP-SFHVURJKSA-N 448.364 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCOc1ccc(F)c(Cl)c1 1589178499 YYPZPKJLCXWFKA-JOCHJYFZSA-N 428.895 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCCO1 1589504934 KDCJXEWEUMTATQ-BLIXFSHQSA-N 448.970 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)C/C(C)=C\c1ccccc1 1589559422 RCOZGUVVPITAHH-ATUZDHOJSA-N 443.595 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C1CCC1 1589581954 WXQMGNNMIAEZEL-JTSKRJEESA-N 428.602 4.549 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](C(F)F)C1 1593600467 KRSUXBRQRTXCBT-CQSZACIVSA-N 441.320 4.774 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(CC)CC)N(C)C)CC1 1594134096 LFVJPCHDVWSVAQ-OAQYLSRUSA-N 429.584 4.519 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1594497318 FMWVBZYVLNGWJV-FYYLOGMGSA-N 443.680 4.865 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(CC)C1 1594727210 LUCPXOHPGKYUBQ-YADARESESA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1Cc1csc(CC)n1 1595075592 IMNXRLNXPQWCMX-UHFFFAOYSA-N 434.569 4.542 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCCN1CCCC[C@@H]1C 1595108690 HXCVHKHNSMBALP-QFIPXVFZSA-N 430.600 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H]1CCO[C@H](C)C1 1595184831 DEZQYOIOCGNVCM-WOJBJXKFSA-N 432.572 4.719 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CCc1c(F)cccc1F 1595250585 HXTDKWOZXJKPIT-UHFFFAOYSA-N 435.478 4.689 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1cccs1 1595501409 SFTGCGCAQAGNOL-HXUWFJFHSA-N 449.624 4.948 30 10 IJEE C#CC[C@H](COC)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1595818205 QELPWHLQRKAYHG-OAHLLOKOSA-N 436.364 4.529 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1595838458 SXGYLIBPZYCKMT-TZIWHRDSSA-N 439.629 4.835 30 10 IJEE C=C[C@@H](CC)CC(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1596467177 GTMWKGIZMRWZPG-HOTGVXAUSA-N 436.478 4.563 30 10 IJEE CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)COc2cccc(Br)c2C#N)C1 1596819219 BKMASWRRKMOLLZ-MRXNPFEDSA-N 427.342 4.951 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)OCCc2sccc21 1597238098 HZEBOZYLFAROTF-HSZRJFAPSA-N 427.618 4.546 30 10 IJEE CCOC(=O)N(C)CCCC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1611074588 CHKJNYKIUSDWPB-UHFFFAOYSA-N 432.336 4.783 30 10 IJEE Cc1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@](C)(C#N)C2)sc1C 1611843068 AFEVPBDOGRNHAA-NRFANRHFSA-N 444.967 4.989 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1612916411 AFCLEOMFLHYDOB-GKJHBJHPSA-N 439.629 4.598 30 10 IJEE C=CCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2sc3c(c2c1=O)CCCC3 1613283658 JCPONZOVZXYYFL-UHFFFAOYSA-N 443.550 4.732 30 10 IJEE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C 1616380769 WOZKAUQKUYCAPZ-HSZRJFAPSA-N 440.503 4.529 30 10 IJEE C#CCN(C(=O)CCOc1ccccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1617599451 FTQVWIGSGFYOQV-SFHVURJKSA-N 448.744 4.857 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(Cl)cc2)c1 1621595611 IAFTUIAAJVUXQS-UHFFFAOYSA-N 428.893 4.904 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)Cc3ccc(C(F)(F)F)cc3)n[nH]2)c1C 1625294012 SDTWOGMRBFPCST-UHFFFAOYSA-N 431.462 4.757 30 10 IJEE C=CCC1(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CCCCC1 1627635814 LFGQVUKBMOXDDH-UHFFFAOYSA-N 440.609 4.976 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)CN(C(=O)OC(C)(C)C)C1 1628779450 UYBGLBGTMRKXNM-UHFFFAOYSA-N 443.569 4.879 30 10 IJEE O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1 1630693802 GHDHKMLRPVPOIJ-HNNXBMFYSA-N 429.719 4.678 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC)c1ccccc1 1633305863 KSTGCRBMSXPDKZ-HXUWFJFHSA-N 448.567 4.858 30 10 IJEE C=C[C@H](COC)NC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1634543439 LPFLJHODZGJXHN-OAQYLSRUSA-N 448.394 4.611 30 10 IJEE C#Cc1ccc(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)c(Cl)c1 1636512524 JUICWRAXKVVRCG-UHFFFAOYSA-N 443.981 4.782 30 10 IJEE C=C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1)c1ccccc1 1636877613 NVIYKCJATJCFJP-GOTSBHOMSA-N 436.552 4.785 30 10 IJEE C=CCn1c(S[C@H](CC(C)C)C(=O)OCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640556172 MMPGVZKVFZOADH-RHSMWYFYSA-N 434.627 4.839 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3cccc(F)c3)C2)n(Cc2ccc(F)cc2)c1C 1642912079 BJCZDLWXWHRLPZ-NRFANRHFSA-N 448.517 4.731 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCC[C@@H]1Sc2ccccc2NC1=O 1643752969 FURHLEFFKZKVLN-IBGZPJMESA-N 438.578 4.638 30 10 IJEE C=CCN(CCc1ccco1)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 1653044113 GKEQLUYYEIUPDS-SJORKVTESA-N 444.597 4.700 30 10 IJEE Cc1ccc([C@H]2CSCCN2CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 1653355430 CNHRKXBSQUDJJK-JOCHJYFZSA-N 428.001 4.994 30 10 IJEE CCCn1c(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnc1-c1cccc(C)c1 1656096231 BMMMDPMJGHWXPY-NRFANRHFSA-N 431.565 4.823 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 1658873976 NTGSUZMCCJWPRF-UHFFFAOYSA-N 446.528 4.943 30 10 IJEE CCc1csc(CC2CCN([C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)n1 1659204719 CDLVUVGXNMJWEH-HXUWFJFHSA-N 438.641 4.912 30 10 IJEE CNC(=O)CC1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCCCC1 1667569513 HNXBTPOCYKWXKK-UHFFFAOYSA-N 448.567 4.540 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)C1 1673875569 CPUHQWPAYPEEOD-XXBNENTESA-N 445.563 4.762 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nc3ccc4scnc4c3s2)cc(OC)c1OC 1674899666 SMJHUQLTQLOKQX-UHFFFAOYSA-N 440.550 4.973 30 10 IJEE C#CCN(C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21)C1CCN(C(=O)OC(C)(C)C)CC1 1676373232 XWUNXZDGFUTDIF-FQEVSTJZSA-N 443.588 4.646 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1 1677504020 FJWXEHYZMUTYMM-PMACEKPBSA-N 427.932 4.580 30 10 IJEE C=CC[C@@H](CC)NC(=O)N1CCC[C@]1(C)Cc1ccc(I)cc1 1680634502 HXAUQURRMMNRRE-IEBWSBKVSA-N 426.342 4.753 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCC1(C)C 1690097583 JOVSIVOURHNIFA-QGZVFWFLSA-N 430.980 4.519 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1690158195 ZIVXHCJNGHUSPV-NNMXDRDESA-N 440.613 4.562 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](OC)C1 1690302882 NANLPLWZNNXYLL-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@H](COC)C1 1690337052 AYCJWLDPVDZUHV-SFHVURJKSA-N 448.995 4.746 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[S@@](=O)C(C)(C)C)CC1 1690399201 QGYWMBWLCRSEHM-IIMAJNMQSA-N 428.646 4.770 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1690408290 CQJDKBPRPVEFCC-HXUWFJFHSA-N 432.616 4.815 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@H](F)C1 1690603567 DULVHLFKNBOEEG-GOTSBHOMSA-N 436.579 4.513 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1cccs1 1690993278 HUSAXTNLRLIXID-HOTGVXAUSA-N 429.977 4.972 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCOCC2)C1 1696537709 HWWMBFJTFQLGDH-LEWJYISDSA-N 439.629 4.744 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)C1 1696548254 AKSOCXPCRXQFKE-LJQANCHMSA-N 438.626 4.628 30 10 IJEE C#CCCCn1c(-c2ccc[nH]2)nnc1N(Cc1cccs1)Cc1ccccc1OC 1705530761 UEDRHGYSFPPRHG-UHFFFAOYSA-N 431.565 4.964 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCC1CC(OC(C)(C)C)C1 1705592525 LLWICKSVUAHJSD-UHFFFAOYSA-N 432.612 4.954 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1705607246 WQVMITXYWUVNPD-IRXDYDNUSA-N 436.478 4.715 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705655419 MBOIVKFXSMZNAW-PKOBYXMFSA-N 446.567 4.929 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705664605 VBZGRVVFFUKQKS-VXKWHMMOSA-N 438.641 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(C)(F)F)cc1 1705716096 ZGWLBBZVAMEAJN-UHFFFAOYSA-N 443.498 4.568 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1705757238 DRWGYMBRIYYULM-UHFFFAOYSA-N 448.036 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccccc2)N(C)C)CC1 1705777661 JSVYPQWGPKEZPQ-OAQYLSRUSA-N 436.991 4.699 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1705822595 KOQHDWQTLCRODL-FQEVSTJZSA-N 428.920 4.648 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)CC)C1CC1 1705854908 QTGJDQCPOOJMSJ-SFHVURJKSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)OC 1705863659 AQSMOVXYZZZKIG-HNNXBMFYSA-N 447.402 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)C1CC1 1705865717 SWZZAUKYAIOBKV-MRXNPFEDSA-N 443.020 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1 1705868240 GPNHRGOXAGDNDY-WOJBJXKFSA-N 437.613 4.723 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(Cl)s2)c1 1707141191 GLVZFTQGCWPEKC-INIZCTEOSA-N 429.977 4.833 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[C@H](C)N2CCCCC2)c2ccccc2n1 1707251165 DEVRCBULBIUNAD-RTWAWAEBSA-N 445.615 4.805 30 10 IJEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(Br)C1 1710387398 GAGUDZVHWJWTQZ-UHFFFAOYSA-N 444.377 4.511 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@@H]2C)c1 1711710683 AGUPIGOHHKZVTK-XHSDSOJGSA-N 446.393 4.891 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)[C@@H](C)C1CCC1 1722523376 QDWWSROJXDJEHF-SFHVURJKSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1722621538 XLIXMFVFVKGWDC-VQTJNVASSA-N 428.552 4.605 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1csc([C@H](C)OC)n1)C1CC1 1722646191 KAYVCOKAAGFGRD-AWEZNQCLSA-N 429.977 4.966 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1C 1722654873 XUCPCHTXPFHJOU-IRLDBZIGSA-N 431.584 4.901 30 10 IJEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCC1CCCC1 1727602088 DUIYCDJJQXLQNR-UHFFFAOYSA-N 426.996 4.663 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(OC)C1 1740595489 FNARGZRIBHLHBO-OAQYLSRUSA-N 437.371 4.583 30 10 IJEE C=C(C)Cn1c(N(C)[C@H](C)c2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740784943 DHVDIHIIIBSOLP-ZACQAIPSSA-N 431.606 4.884 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CC)CCOCC2)CC1 1740819144 GAJGLUDCIOKQIN-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1740848670 OCXRZLADMAYDIA-UZLBHIALSA-N 448.970 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740849918 ALSLWTQGDGGCDV-NRFANRHFSA-N 427.662 4.845 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](CC)C1 1740863791 GNPBMBGINCICEQ-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(Br)c1 1740878079 QFRLFWFUNXBWMU-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1740912800 SJPASZICELRSEJ-KNQAVFIVSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@H](CC)N1CCCC1 1740916746 WNDVNTBHXKVGJR-XMMPIXPASA-N 432.616 4.874 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(C3CC3)CC2)cc1Br 1748600800 APXRAXBXTWHDSM-CQSZACIVSA-N 444.377 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1748680028 NBXTZRAKEHAWNP-LEEZEASISA-N 433.600 4.580 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]2CCC[C@H]21 1749028811 HNOLXFQKKSADGO-QFBILLFUSA-N 445.430 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCN1c1cnn(C)c1 1749143922 ONPUVSPZNKQIPP-ISKFKSNPSA-N 447.631 4.625 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(C2CC2)C1 1749143946 PDPLMBOZUAEJAI-FCHUYYIVSA-N 437.632 4.922 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1749257895 FQAZYDCPBQMTKE-CVEARBPZSA-N 437.009 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1749363465 DNBCZQGTEFVISJ-SFHVURJKSA-N 448.615 4.667 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(OCCN2CCCC2)CC1 1749367347 SLDHYOKHURVPNI-UHFFFAOYSA-N 429.653 4.619 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749430207 KTOFAXTWOBGRCG-UHFFFAOYSA-N 444.023 4.572 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](OC)C1 1749445204 JZEKDPDRPJCLSG-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)CCCS1 1749499847 PJNRSGDWSHZPTP-LJQANCHMSA-N 437.407 4.528 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CCNc1ncc(Cl)cc1Cl)C1CC1 1749512371 ZXTSFEZVEKHDMD-UHFFFAOYSA-N 433.343 4.815 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccsc1 1749538411 INUIIXPKGQQOOF-XMMPIXPASA-N 431.565 4.502 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CC1CCCCC1 1750492202 DFMSTEAVFBDYTQ-FQEVSTJZSA-N 442.608 4.670 30 10 IJEE CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(N2CCCCCC2)nc1 1750609594 AEMWQLRMOFGBRB-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nc2c(s1)CCCC2 1760166615 LBNPYPUYMSPNLE-UHFFFAOYSA-N 446.407 4.899 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1760228727 QCVQSIAOAMTZMY-AVRDEDQJSA-N 445.405 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCc1ccnc(C(C)(C)C)n1 1760231727 DWHHYXXLDJUVNJ-UHFFFAOYSA-N 441.583 4.606 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCSC1 1760241150 QFEAYSYMPPJMTI-KRWDZBQOSA-N 441.963 4.526 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)C[C@H](C)C1 1760274725 MQNOKOJXORYSQW-WFXMLNOXSA-N 426.630 4.884 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1760386321 UDBKXXOPMGRSSL-UHFFFAOYSA-N 431.874 4.800 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CC2(CCOCC2)C1 1760456311 LQZJCQJTEJALDB-QGZVFWFLSA-N 430.980 4.901 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1Cc1cscc1C 1760480421 UTBYHZDWZGATQX-OAQYLSRUSA-N 433.581 4.655 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1C1CC1 1760496599 ZWTXIHXCQDNYNA-QFIPXVFZSA-N 426.008 4.718 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760568632 OGAOSNPKKDUVIH-LEWJYISDSA-N 444.670 4.946 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1761372989 CFNWBXGGZGQIHL-IBGZPJMESA-N 448.640 4.678 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 1860278441 POXIWIFYDZJVKJ-FQEVSTJZSA-N 431.532 4.969 30 10 IJEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)n1 1860553902 AZAJJHNFLIMZLM-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862431792 OTNABZOVSLDDGU-PJUBBZNESA-N 441.911 4.908 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(OC)c1 1862448594 QOOXSRVWOLZUMP-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1ccco1 1862456733 YRJWCYRFSDIMTL-HXUWFJFHSA-N 427.378 4.784 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc3ccccc23)cc1 1862481193 YVVNKMWEKSTXTM-XMMPIXPASA-N 429.516 4.889 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccccc2)cc1O 1862481209 ZLOOEEOJILWODD-XMMPIXPASA-N 443.499 4.530 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1OC 1862512004 RMZVXEZLFBCAQI-JOCHJYFZSA-N 441.499 4.776 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1)c1cccc(Br)c1 1862523225 CBMRNNWYNFQIQI-LJQANCHMSA-N 442.309 4.676 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862539548 YJFAXMLZSNLDNN-CWTRNNRKSA-N 434.319 4.515 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862547621 ZAUVWULBHJSQMD-QFIPXVFZSA-N 434.492 4.852 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2cccs2)c1 1862559636 SQORSDOLLCQBLO-JOCHJYFZSA-N 448.544 4.550 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722805 YYEIGTUUAWTHAV-VWLOTQADSA-N 449.510 4.898 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862744817 VOOCBAFWRQZCKW-QGZVFWFLSA-N 434.370 4.602 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3F)C2=O)c1 1863403240 WNUTYESDPCEVDE-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccccc1Cl 1864213760 LZPSJUSDWIYNBW-IBGZPJMESA-N 430.980 4.553 30 10 IJEE CCCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccccc1C#N 1866826059 MVERTPGEKXMBCS-QFIPXVFZSA-N 443.551 4.503 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1870150376 HBVSJQVFBNXSRX-UHFFFAOYSA-N 448.483 4.567 30 10 IJEE CCCCCCCOc1cn(CCN2CCOCC2)c(CSc2ccccc2)cc1=O 1870251325 CWBNBUQUVJRNIO-UHFFFAOYSA-N 444.641 4.822 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(CCOC(C)C)CO2 1871351566 CPICTXYQTDDJRM-FMCGGJTJSA-N 432.520 4.680 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871416352 XWXPLVHVLLAWEL-UUYOSTAYSA-N 431.400 4.577 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871462769 YPYLKBMICWBHRB-HAHDFKILSA-N 448.446 4.751 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 1871908656 IFFQDWZDWAFFNY-HSZRJFAPSA-N 444.597 4.850 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872095697 UGECUDCULSFHRY-QHCPKHFHSA-N 439.581 4.706 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872412279 HZNAPCZQYGIVGA-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872468043 SYRCSTZMBLJPDG-QHCPKHFHSA-N 428.598 4.706 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872496752 ZBOISFVFXLOOPI-AUSIDOKSSA-N 428.598 4.869 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289204 AZBZYMWXVVZWFL-UHFFFAOYSA-N 442.346 4.972 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(N3CCCCC3)ncnc21 1873669112 NRTULZNXUPXPPO-UHFFFAOYSA-N 429.446 4.879 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(F)c1)Nc1ccccc1F 1874426126 SJDFAMZLIZBKGK-VULFUBBASA-N 449.486 4.836 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2C(C)(C)C)ccc1OCc1cccc(Cl)c1 1874559570 ZGBVFMJEPAWYQM-FSJBWODESA-N 430.961 4.988 30 10 IJEE CCOc1cccc(/C=N/n2c(S)nnc2COc2ccc(OC)cc2C(C)(C)C)c1 1874570929 OXADSACMXDEXRN-ZVHZXABRSA-N 440.569 4.733 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NC1CCCCC1 1874620123 KEXMKKGQHATJSZ-XYOKQWHBSA-N 425.500 4.867 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)c1 1874694717 QSIOVFZVWRXXKR-ACCUITESSA-N 432.472 4.974 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C(C)C)c(OC)c2)c1 1875100953 LGIHIYACNQCXFB-CMDGGOBGSA-N 433.298 4.924 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cnc(C)cn3)c(OC)c2)c1 1875101974 TVLWBDSKTBLTMD-BQYQJAHWSA-N 438.867 4.571 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2cc(Br)c(C#N)cc2F)C1(C)C 1885859398 PPILDKXCHLYWEW-LRDDRELGSA-N 426.330 4.811 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1890419654 XPRXZSJQAYDBBD-UHFFFAOYSA-N 449.555 4.513 30 10 IJEE C#CCCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2005491708 KRETVRLUPQYNDW-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C1CC1 2014635223 SNAZAUGVHGSMTB-IERDGZPVSA-N 434.541 4.606 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC12CCCC2 2037760759 XAXJVYKYCHSBSK-MHECFPHRSA-N 449.592 4.618 30 10 IJEE CCN(CC)C(=NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 2042453189 ZHMDPWNMNGGOCQ-UHFFFAOYSA-N 429.767 4.580 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1 2079902534 CTYKKGFLACBPEV-CQSZACIVSA-N 443.235 4.695 30 10 IJEE CC[C@@H](C)[C@@H]1CSC(=Nc2cc(Br)ccc2I)N1 2081319021 JLAGJFWZQAXOQX-PELKAZGASA-N 439.160 4.792 30 10 IJEE Cc1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CCCOCc1ccccc1 2082754384 VSGJKJFUQJYSRE-UHFFFAOYSA-N 443.780 4.883 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)n1 2116150248 NSWXTXCMVZSSIJ-YADHBBJMSA-N 436.405 4.509 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1cc(Br)c(C#N)cc1F 2118151854 VIUKQYHVUGUSQK-SJKOYZFVSA-N 426.330 4.542 30 10 IJEE CN(CC1CCN(c2cc(Br)cc(F)c2C#N)CC1)C(=O)OC(C)(C)C 2118200474 FPCVNYZCIHCQNB-UHFFFAOYSA-N 426.330 4.543 30 10 IJEE C#CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1ncc(Br)c2ccsc12 2140644605 WSYVXENAQHNBDE-IBGZPJMESA-N 439.375 4.992 30 10 IJEE CCC[C@@]1(CNc2cc(Br)cnc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2167618186 XHPYUVUZCLSFDJ-FQEVSTJZSA-N 437.382 4.945 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(C#N)c(Br)c1F 2174763055 IPXXXWCMUHPVEU-MRXNPFEDSA-N 440.357 4.932 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174815350 SBBZNRZUHXTMIJ-DYVFJYSZSA-N 440.357 4.980 30 10 IJEE C[C@@H](CCC[C@H](C)C(=O)Nc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C 2181046768 MNEPZJWDQAYUIV-KBPBESRZSA-N 438.366 4.979 30 10 IJEE Cc1ccnc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2190478360 LHPHSIRTOFFZBT-WBADGQHESA-N 448.416 4.509 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCNCCC1(F)F 2196990405 UXVNVRNSMDLJMM-SFHVURJKSA-N 444.320 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCC(=O)Nc2ccc(C#N)c(Br)c2)C1 2203260798 YSTRECMJLDPLKM-HIFRSBDPSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCCCN1Cc1ccc(Br)cc1C#N 2208034628 YIQAKNPJCMBKBZ-SFHVURJKSA-N 436.394 4.979 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CCCCCNC(=O)OCc1ccccc1 2220585439 CNBQIIGANGXVDS-OAQYLSRUSA-N 443.385 4.875 30 10 IJEE C=C([C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229117741 CVRQGKATRKLDPM-ZWKOTPCHSA-N 441.486 4.907 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC(F)(F)C[C@H]2CC#N)c1 2233993989 FXAOHXQAJPLOMR-GFCCVEGCSA-N 444.276 4.560 30 10 IJEE C#CC1(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC2(CCCC2)C1 2244935105 KHQKFFHKCWBZDR-IBGZPJMESA-N 442.559 4.756 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1c(F)cc(Br)cc1F 2275826221 ZNUNVLIYSFJZPK-LJQANCHMSA-N 427.241 4.643 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2296219951 SZURVFKFELNGHK-DFQSSKMNSA-N 435.406 4.720 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](N)C#Cc1cccc(Br)c1 2296285699 CXVIOCMBUBXDNH-HSALFYBXSA-N 435.406 4.657 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC1(CNC(=O)OC(C)(C)C)CCCC1 2296291259 MMXHIUJUACRBDL-LJQANCHMSA-N 435.406 4.864 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 2296766441 OZMXIBDQKZBSHF-HXUWFJFHSA-N 446.484 4.833 30 10 IJEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 2296935847 KCMHMXOQWYDPPL-QFIPXVFZSA-N 446.890 4.926 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1C=Cc1ccccc1)c1ccc(Cl)cc1 2297709368 YFMILHBHIZZQCC-NRFANRHFSA-N 447.922 4.546 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1 2297741204 YFHXNANXYMVFAD-NRFANRHFSA-N 427.928 4.922 30 10 IJEE Sc1nnc(C2CC2)n1N=Cc1ccccc1OCc1ccc(Br)cc1 2321884393 RQVYNKKAQKMISI-UHFFFAOYSA-N 429.343 4.668 30 10 IJEE Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324066182 HVCVBXKZXVVXOJ-UHFFFAOYSA-N 440.543 4.731 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC(=O)N(CC)CC 2324261502 VHICORHFHRTYJE-UHFFFAOYSA-N 443.490 4.845 30 10 IJEE COc1ccc(C=C2Oc3cc(OCCc4ccccc4)ccc3C2=O)c(OC)c1OC 2324281291 LCFYGQODJACARA-UHFFFAOYSA-N 432.472 4.950 30 10 IJEE COc1cc(C=CC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 2325717357 YBOKJSGUTGKROV-UHFFFAOYSA-N 445.559 4.942 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722527 HISGFNIUUOEPKZ-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(CCc3cccs3)nnc2SCCCO)cc1 2329687182 DXYNWOQDSYIWPL-UHFFFAOYSA-N 428.627 4.779 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1Cl 2330221999 TXTOFRBCCMFUFN-UHFFFAOYSA-N 448.036 4.897 30 10 IJEE CC(=O)NCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1C 2330773177 JUNSGEWRFLNQNX-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1 2330951239 ASTXCMSBWSAIHJ-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1O 2331164110 AZPCBHXCCKBLIG-UHFFFAOYSA-N 446.813 4.675 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 2331211238 UBBBQMUOJWQEID-HSZRJFAPSA-N 436.504 4.803 30 10 IJEE CCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccc(F)cc2)cc1 2331246510 VVVJSODPTXWWQN-UHFFFAOYSA-N 428.533 4.569 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1OC 2331445370 NYINCFRMGGNOPS-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)C)cc1 2331709910 FUHJUFRZYBMEKE-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C(C)(C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2338076869 CZJPJOLKGOUPNV-INIZCTEOSA-N 429.399 4.725 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339543758 WCZNXHRQPKLZBK-OALUTQOASA-N 443.397 4.974 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)Cc3ccc(Br)cc3Cl)C2)OC1(C)C 2368438175 NFABLHDMWNIGRD-LJQANCHMSA-N 442.590 4.730 30 10 IJEE Cc1cc(CNCc2cc(C)c(Br)s2)ccc1B1OC(C)(C)C(C)(C)O1 2369637765 NYIWYNOPQDFWBT-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE COc1ccc(NC2=C/C(=N\S(=O)(=O)c3ccc(C)cc3C)c3ccccc3C2=O)cc1 8974329 SSYVZAYHYBHJKB-HPNDGRJYSA-N 446.528 4.682 30 10 IJEE O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1ccc(C(F)(F)F)cc1 20836484 LFKZFELMWOUTCT-UHFFFAOYSA-N 426.468 4.676 30 10 IJEE COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c(OC)c1 33321205 GWHHDIOBXROPDD-QKFKETGDSA-N 432.476 4.664 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccccc3F)oc12 33522371 IPNYKZPTPHBEJN-NRFANRHFSA-N 447.418 4.952 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1ccc(OCC)c(OCC)c1 39912136 IXFQBTDXLXLZEH-XMMPIXPASA-N 447.535 4.928 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N/N=C\c3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 47137999 ACTTVGHSZXFOOP-DOPZRVNGSA-N 448.523 4.991 30 10 IJEE O=C(CSc1nc2ccccc2s1)NCC#CCOc1cccc(C(F)(F)F)c1 90730313 UKBOHSXWFNJKIM-UHFFFAOYSA-N 436.480 4.606 30 10 IJEE COc1ccc(-c2nn(CCC#N)cc2/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1 96663319 XDSNWGPIJAVBTN-KGENOOAVSA-N 443.532 4.863 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccco2)CC1 106055602 RPVXUZGMTACYKM-QFIPXVFZSA-N 442.475 4.521 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)cc2)cc1 170057137 PRKRSDZOJRYBJU-NRFANRHFSA-N 443.927 4.742 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 170068445 FXUCXCGWSWTSBX-DEOSSOPVSA-N 434.580 4.902 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OC)c1 170121227 VXVPJLWYTKDZBG-QMHKHESXSA-N 435.520 4.787 30 10 IJEE COc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170137201 WPMUUKFBHZTBHY-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170171353 KTDPHXMJIQFSAM-LJQANCHMSA-N 441.270 4.877 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)cc1C 170189378 ZPAAQWNHBFOESE-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)cc1C(C)(C)C 170211959 BFRARTIGODVZAQ-QFIPXVFZSA-N 434.536 4.909 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266241 UZROJMDKWFFNCY-QHCPKHFHSA-N 447.487 4.638 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCN(C)C)cc1 170267456 ONJLNBVMZPIRIF-HXUWFJFHSA-N 447.362 4.696 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(CC)cc1 170267937 HWJCMLOCWGXPMD-IBGZPJMESA-N 428.326 5.000 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)cc1OC 170285578 IPSBQYVMPKLKHR-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccco2)cc1Cl 170297382 KLZHLIUWLQMXTC-IBGZPJMESA-N 449.850 4.601 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(C)o1 170299089 AJRUDVCPTMFSSC-NRFANRHFSA-N 437.423 4.527 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c[nH]c3ccccc23)c1 170382878 DALGGUXKEUVZKL-QFIPXVFZSA-N 428.444 4.943 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(OC)c2)ccc1OC 170439209 BACKTQNBHGCODJ-NRFANRHFSA-N 439.508 4.618 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(F)cc2)ccc1OC 170442200 HNGPIYHTHMFEGI-OAQYLSRUSA-N 441.499 4.744 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccc2OC)cc1 170454051 VDUOKUDYJISDCL-QHCPKHFHSA-N 446.503 4.917 30 10 IJEE N#Cc1ccc(Nc2ncc(Br)cc2Br)c(Br)c1 232483706 BJMHLIXSZYZECC-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(C)C1=O 252635673 WZHOZDHZZNPKHM-SFHVURJKSA-N 431.945 4.556 30 10 IJEE CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 254567661 XEGILWRJWDZWOI-UHFFFAOYSA-N 425.466 4.545 30 10 IJEE C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460380204 MDOBGYKOZZTSBZ-RUZDIDTESA-N 440.547 4.882 30 10 IJEE N#CCCCOc1cccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 501714582 KSOWDOVJCBFFJT-OAQYLSRUSA-N 435.572 4.601 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C(F)(F)F)C1 508481312 PJXOLWDWGXZGBU-GFCCVEGCSA-N 445.283 4.681 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 526514450 FRJLBNVSYBJKJN-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCN(Cc1ccccc1)C1=C(SCc2ccco2)C(=O)N(c2cccc(C#N)c2)C1=O 526693372 MGQUEZXRJVDUCP-UHFFFAOYSA-N 443.528 4.692 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2F)c(OCC)c1 526802614 IWYXGLFLCCVTCZ-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cn(CC)c2ccccc12 526828869 NFIIPBPCUNBXLV-QRVIBDJDSA-N 434.525 4.898 30 10 IJEE C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccc(C#N)cc1 536010654 AWLSHIUOJUUOOT-IFXJQAMLSA-N 445.304 4.771 30 10 IJEE N#Cc1cccc(CN(c2cccc(Br)c2)S(=O)(=O)c2cccs2)c1 586217346 YQCIZPNDAUTCRB-UHFFFAOYSA-N 433.352 4.778 30 10 IJEE COc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cc(C)c(C)cc2OC)c1 586218353 NCEPLWZAJSYKFQ-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 733202115 NVTRTFXDZSABIU-GOSISDBHSA-N 447.894 4.602 30 10 IJEE C=CC[C@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)c1ccncc1 764407672 PKJCBCOAQQWTJK-INIZCTEOSA-N 428.252 4.980 30 10 IJEE C=CC[C@@]1(C(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)CCCN1C(=O)OC(C)(C)C 784941897 GKSROCCPFLYYEB-WNSKOXEYSA-N 445.491 4.826 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(OCc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 790234782 OUTHISQBZXZJJX-RUZDIDTESA-N 428.573 4.540 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CCOC 812144201 IFIIFXYUDPQWQF-GMAHTHKFSA-N 436.531 4.501 30 10 IJEE N#C[C@@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847092 LHAWWODVDAFSDQ-AWEZNQCLSA-N 447.438 4.593 30 10 IJEE CC(C)c1cccc(O[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 919449257 BYHFDBDXHNILKW-LSDHHAIUSA-N 426.538 4.570 30 10 IJEE N#Cc1nc(/C=C\c2ccccc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 1081077605 LVIMVHQCQPWQPU-KXAJWGBNSA-N 434.927 4.855 30 10 IJEE CCCC(C)=NNc1nc(SCC(=O)Nc2ccc3nc(SCC)sc3c2)n[nH]1 1083916345 OUCCRMJBLNBIFS-UHFFFAOYSA-N 449.631 4.845 30 10 IJEE CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1 1124671064 FIMWQRMICIKOJI-IIBYNOLFSA-N 430.335 4.731 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cc(F)c(Br)c(Cl)c1 1128837817 ZXVRCSOUWZEXJQ-CYBMUJFWSA-N 448.720 4.767 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 1128965491 LXWVZHVVFJTLOP-HXUWFJFHSA-N 447.535 4.958 30 10 IJEE C=C(C)[C@H](CC(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21)OCC 1129568599 HASOSZJQAMOYHG-LIRRHRJNSA-N 425.342 4.665 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 1143689458 CFXZXVDOMYOWHK-VXKWHMMOSA-N 429.605 4.579 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 1144562408 LMYWNJPYLLHUBE-DXBBTUNJSA-N 428.573 4.757 30 10 IJEE COC(=O)c1ccsc1N1CC[C@H](N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1=O 1193293273 HKHFTZNQUBMREL-AOMKIAJQSA-N 445.544 4.529 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCn3c(C(F)(F)F)nc(Br)c3C2)c1 1210299503 MPMSYRUTSDXNTR-UHFFFAOYSA-N 429.240 4.745 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)cc(OC)c1OC 1216240092 OFWFBLGPLPROPV-UHFFFAOYSA-N 440.931 4.902 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1248501305 GIGZVMRCLRJCDW-PXDATVDWSA-N 427.589 4.606 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1ccccc1 1264542676 BQSPYSANGWHXGJ-HSZRJFAPSA-N 426.520 4.623 30 10 IJEE CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1265909171 HCZOOSQNUZOSGH-CQSZACIVSA-N 446.732 4.528 30 10 IJEE C#CCSc1ccc(COC(=O)c2ncc(Br)cc2Br)cc1 1269314144 HPESDILTHFIUBH-UHFFFAOYSA-N 441.144 4.689 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC(F)F 1286537351 ZKJASOUDIGLAAM-GFCCVEGCSA-N 433.272 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCC1 1286582910 GXPBRQWNTJIKEQ-SLFFLAALSA-N 429.609 4.808 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1286640561 LNQVSSQBUOIYSS-GOSISDBHSA-N 433.556 4.580 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)c2nccs2)CC1 1286649522 PHHNHQFQROHKCE-MRXNPFEDSA-N 429.977 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286668225 PSBUZZXKTWGEQW-UHFFFAOYSA-N 448.615 4.978 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H]1C(C)C 1286749130 LCLNGYSOXXWORC-KNQAVFIVSA-N 437.613 4.964 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)on1 1286751480 QFUPGOILXHWNDK-WOJBJXKFSA-N 441.601 4.796 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(Cl)nc1 1286754279 PDLWVCWARVCQIN-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(SC)CC2)C1 1286801040 VMZSTQYQTBSAJN-UXHICEINSA-N 442.629 4.712 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1288483834 CLEWASHROKIJSK-WAIKUNEKSA-N 433.537 4.576 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)CC1 1291142484 FPFVADQYKMZBBK-FQEVSTJZSA-N 448.640 4.678 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 1292456859 YHKBZKMZTSHSRU-HXUWFJFHSA-N 431.964 4.910 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)OC(C)(C)C 1295768742 WPSMQILAQQEIHY-SFHVURJKSA-N 444.881 4.796 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2)c1C(F)F 1300131885 OLLMCOFWEPTEKY-INIZCTEOSA-N 434.487 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(C(C)(C)C)n1 1300313056 AIOOJEUXFVFWCF-MRXNPFEDSA-N 442.032 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1sccc1Br 1300313812 OXJDRPBAMICHMG-ZDUSSCGKSA-N 449.805 4.853 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1300423416 OXCBRQQRTHBKJO-ROUUACIJSA-N 431.005 4.500 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(CC)cc1 1300443195 CIXLCCIOKGAYIH-UHFFFAOYSA-N 429.387 4.644 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN(C(C)C)C(C)C 1300492504 FFVAHALAADGHGC-VWLOTQADSA-N 438.620 4.593 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1300839255 FIDTWTXFVVEOGN-ZDUSSCGKSA-N 434.288 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N 1300873290 INWPPWXNHIJNRJ-UGNRZPKXSA-N 443.979 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC12CCOCC2 1300905023 JNRCXDIHCCQAIP-SFHVURJKSA-N 445.405 4.927 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCO[C@H]1CCCC[C@H]1C 1300907596 LLSLDLIDYNMCHX-CTNGQTDRSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@](C)(O)[C@H](C)CC)CC1 1301134749 OCKWHHAKQNSKSG-CJFMBICVSA-N 426.605 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCO1 1301143602 LEOYCQYDONALDZ-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](OCC)C1 1301209423 TXJPCIYLSQCKCC-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1301227139 MUESJMMMKNMJJC-UHFFFAOYSA-N 441.645 4.562 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1301240577 CRYZPZXODYAULE-HNAYVOBHSA-N 449.368 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCOc2ccccc21 1301270252 FPZJOZZUVPOZDJ-HNNXBMFYSA-N 442.361 4.614 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCn1cccn1 1301273906 YALVQGLIFQPNLP-GOSISDBHSA-N 428.968 4.597 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1301333843 CCVGECVOKUCSRJ-PMACEKPBSA-N 425.621 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CC 1301360238 YQVYUHKZVDXGIB-OAQYLSRUSA-N 432.597 4.555 30 10 IJEE C#CCOCCNC(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 1312369358 YXHISEYPWASFOV-UHFFFAOYSA-N 443.341 4.565 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C(\C)c2cccc(OC)c2)c(C(=O)OCC)c1C 1352793440 OWZZBRVNMRWGLI-WYMLVPIESA-N 443.521 4.627 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1OC 1355376804 HLFDLVJZSKEYIR-WJJZCADXSA-N 449.938 4.965 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C)CCCC1 1359004879 NIHKKVSHXCCWLH-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1(N(C)C)CCCCC1 1359066564 GKZDDMGCOJHHSA-HSZRJFAPSA-N 443.998 4.994 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCc1cccs1 1359092391 ALQNDPUSHUENRP-DENIHFKCSA-N 438.597 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1OCCC1(C)C 1359109666 KDBMTCPFTVOHRQ-NRFANRHFSA-N 428.577 4.570 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359125906 YHLAUMMPYJTEBT-NLDJYOPPSA-N 427.420 4.793 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1359153517 JBLZJVRYLPDSFC-ZDUSSCGKSA-N 437.038 4.911 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC1 1359196656 OLBLCVYPKWOZHP-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359200489 HXJSXHJOTBDONI-FQEVSTJZSA-N 444.023 4.503 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1359206183 XBTDQOOJWCWSRU-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359210206 MLRCLBRHKPWMNC-LSDHHAIUSA-N 438.439 4.654 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1ncc(CC)s1)C1CC1 1359252575 WWGVRVZINNCRMY-UHFFFAOYSA-N 428.005 4.939 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCSC1 1359260991 UAQFCQPWKOUOPZ-GHTZIAJQSA-N 430.593 4.995 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C 1359275057 JHUBLUHDGOTRFK-LADGPHEKSA-N 431.584 4.636 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CC(F)(F)CO1 1359275358 RRLDBASAJYEKNV-LJQANCHMSA-N 428.483 4.506 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 1359935352 GFNFCMBKYOXPSC-ZAHGZRRWSA-N 444.572 4.521 30 10 IJEE C#CCN(C(=O)c1cccc(OC(C)(C)C)n1)[C@@H]1CCOc2ccc(Br)cc21 1360311713 ZUVIGYMBPUSTDD-GOSISDBHSA-N 443.341 4.621 30 10 IJEE C=CCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)c1ccccc1 1435619931 HGILBTPYLINDAM-JTHBVZDNSA-N 433.552 4.787 30 10 IJEE C=CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CCCC1 1437729977 QXBVILNQQCBXFY-UHFFFAOYSA-N 444.984 4.710 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)cc1OC 1437876650 NSJSBJSSNNXDHP-CHFKYBQCSA-N 449.547 4.741 30 10 IJEE C#Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(Cl)c1 1439800070 OYHBUMCVRLLMLG-HRAATJIYSA-N 442.943 4.758 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1439944017 UKNXUNYLKAFKJT-HXUWFJFHSA-N 441.341 4.550 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 1440831688 FOSCTICWACETRC-FQEVSTJZSA-N 431.964 4.910 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc1 1451651538 BGDMMFOOEKKCQW-NRFANRHFSA-N 441.984 4.945 30 10 IJEE C=CCOc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 1458765454 GEAMPJMLUOKVGW-HXUWFJFHSA-N 434.319 4.906 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1 1467477486 INMCOOFZRPBYEV-UHFFFAOYSA-N 448.350 4.782 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 1469004058 DUJHGANTTIKQOM-UHFFFAOYSA-N 446.572 4.632 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)c1 1476103959 KNWNPDRFTABFKF-UHFFFAOYSA-N 443.613 4.997 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCCC2)C[C@H](C(F)(F)F)O1 1494235439 GVDIMHVERZNXAY-MAUKXSAKSA-N 433.478 4.553 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OCCC)CC1 1507567449 MUMPGPCJUMMCBZ-IBGZPJMESA-N 430.543 4.736 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1507899592 MOHMSTASAJYEEO-UHFFFAOYSA-N 447.583 4.978 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507933048 FDVRTDJVADWHFR-OAQYLSRUSA-N 437.975 4.931 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1507939759 RUYYTQBBBFUZRC-UHFFFAOYSA-N 440.567 4.517 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1508073306 JJNMEOOUIFSFDO-GDBMZVCRSA-N 436.387 4.569 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1508168852 ZIBKOAOVTPGBIR-NYVOZVTQSA-N 437.613 4.663 30 10 IJEE C=CCN(C(=O)c1csc(Cc2ccc(C)cc2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1516156063 NNHGHPRIGSNVGI-QHCPKHFHSA-N 448.588 4.845 30 10 IJEE COC1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCC#N)CC2CC2)CC1 1518555797 HOSQUZISYMUQBF-UHFFFAOYSA-N 432.572 4.542 30 10 IJEE N#Cc1cc(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)cnc1C(F)(F)F 1520201190 HPECKEGABBOQQD-UHFFFAOYSA-N 429.373 4.876 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc3cncc(Br)c3n2)C(F)(F)F)cc1 1521343412 CNGYNFBTGBLVEI-QGZVFWFLSA-N 435.199 4.834 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1522166035 LBSKSMCBCHWPDO-AVRDEDQJSA-N 429.944 4.605 30 10 IJEE C#Cc1cncc(C(=O)OCc2cc(Br)c(Cl)c(Br)c2)c1 1525353308 GZWQTZSHEOMIIR-UHFFFAOYSA-N 429.495 4.598 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)CC1 1525920402 NUUMQVYVMCPBAP-UHFFFAOYSA-N 446.956 4.681 30 10 IJEE C=C(CNC(=O)c1cccn1-c1cccc(I)c1)c1ccccc1 1527585002 DNRLJDHJYVJGGZ-UHFFFAOYSA-N 428.273 4.525 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Br)c(F)c2C)cc1 1528315624 BFAOJGHCPHJBFH-UHFFFAOYSA-N 431.305 4.963 30 10 IJEE C#CCOCCNC(=O)c1cc(/C=C/c2cccs2)nc2ccc(Br)cc12 1534761478 FFRNLPTZLGCPSH-VOTSOKGWSA-N 441.350 4.609 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 1536382180 FWTFCRQYDDIZDO-NLFFAJNJSA-N 425.532 4.909 30 10 IJEE C#CCN(C(=O)Cc1ccc2cnccc2c1)[C@@H]1CCOc2ccc(Br)cc21 1538198959 NQTUFTJLNAKJNF-OAQYLSRUSA-N 435.321 4.525 30 10 IJEE C=CCN(C(=O)c1ccnc(SC(C)(C)C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1538618458 KPBRHNNPGFRADZ-HXUWFJFHSA-N 426.582 4.775 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCCN1CCCC[C@@H]1C 1538970169 AJXWOYDLWRUQSL-ACRUOGEOSA-N 441.595 4.670 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539104373 IOYXHWAWDUJSCV-NRFANRHFSA-N 444.970 4.738 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1539490829 ILBXOJYVJDNCNT-SFTDATJTSA-N 431.694 4.639 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1539540335 LGFZZZGOUCDXST-GSHUGGBRSA-N 443.389 4.515 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1539735218 LCHHJIYITADNBQ-UHFFFAOYSA-N 435.572 4.676 30 10 IJEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539743936 VTSKXAHUXAYQQD-UHFFFAOYSA-N 433.600 4.743 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCSCC(F)(F)F)CC1 1539856386 ZLNUEGHRAXOZTQ-UHFFFAOYSA-N 440.535 4.926 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2(CCOC)CCC2)CC1 1539896842 UBODUQHIZQDJIJ-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1)c1ccccc1 1539949507 YMLIFLJLGWOKFL-VWNXMTODSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1539975358 SNNOIAMJWGSVMG-DEOSSOPVSA-N 445.007 4.891 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539988833 GZNUIAYTHGYLGR-FQEVSTJZSA-N 425.968 4.615 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C)CC1 1539998642 MMIYPMVMPZGFLP-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1 1540147987 YJFABDZNIHVACP-FQEVSTJZSA-N 425.627 4.804 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H](F)c2ccc(Br)cc2)C1 1540882925 QPENFDVDVBFRNW-QZTJIDSGSA-N 437.357 4.656 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCC2)C1 1543523035 HUQYSAHRJGGCHG-WOJBJXKFSA-N 434.632 4.810 30 10 IJEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCC(F)(F)C2)cc1 1554893309 AXCJOBAYECEZSJ-AUSIDOKSSA-N 443.542 4.637 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 1557540626 VJRXFTWEENLJDC-GOEBONIOSA-N 427.463 4.710 30 10 IJEE C=CCn1c(SCc2ccc(N(C)C)nc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1559307465 HOMWBVIQLQTEAM-CQSZACIVSA-N 426.611 4.522 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1 1559932249 CZUCUMSJDGDJBK-GOSISDBHSA-N 447.608 4.708 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)C1(CNC(=O)OC(C)(C)C)CCCCC1 1560109591 JNARGDNGTFXXME-UHFFFAOYSA-N 436.394 4.980 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 1561876034 COCBTXGTMQAKQW-QHCPKHFHSA-N 435.549 4.710 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCN(C2CCCCC2)C1 1562321740 DTWBLPRTSQOJKT-JOCHJYFZSA-N 432.568 4.974 30 10 IJEE COc1c(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(Cl)cc1C(N)=O 1562783521 CYEDVPOKDKRRDB-CQSZACIVSA-N 448.910 4.869 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1565000015 RTMDUBBDHAWCJF-SLFFLAALSA-N 449.776 4.834 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1c2ccccc2OC[C@@H]1F 1565341604 LQZGUZIBOMCMAO-HKUYNNGSSA-N 437.284 4.758 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 1567637046 CGWWGYITJGTCIT-FQEVSTJZSA-N 425.504 4.606 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 1583087616 MMGQWKLKYIUZGV-IBGZPJMESA-N 433.552 4.932 30 10 IJEE CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[nH]1 1584925852 GNBUVIXJEMWELG-UHFFFAOYSA-N 446.507 4.632 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3[C@@H]4CCCC[C@H]4CCN3C(=O)OC(C)(C)C)cc21 1585552019 MJAPLVMMWVMRHL-WEYGHZABSA-N 438.572 4.977 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)cc1C(F)(F)F 1588289157 ZSRPPWXEACALSA-UHFFFAOYSA-N 437.828 4.659 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1588413007 MVZUKLPFBURBFS-TZIWHRDSSA-N 426.580 4.697 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC1(C)C 1588580943 ADRXCJMSDXVKPI-IBGZPJMESA-N 435.597 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C(CC)CC)N(C)C 1589197627 HNCCWAKSNWJFKP-RPLLCQBOSA-N 446.643 4.795 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@H](CN(C)CCC)C2)nnc1C1(c2ccccc2)CCC1 1593931823 AJKIQJNJLQBOOT-HXUWFJFHSA-N 428.024 4.669 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1594761439 ZZUQWUUUNBABIE-UHFFFAOYSA-N 432.494 4.761 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=C)C 1595119869 IGVYBQKSHKQZKG-OYRHEFFESA-N 437.588 4.818 30 10 IJEE C#CCN(C(=O)c1cc(C)cc(I)c1)[C@@H]1CCCc2ccccc21 1611222668 HFLFBSBLNRJRLG-HXUWFJFHSA-N 429.301 4.753 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cc(F)ccc2C)nnc1-c1cccc(OC)c1 1613596763 ROKYVQHUDTVYGM-UHFFFAOYSA-N 426.517 4.708 30 10 IJEE CN(C)c1ccc(/C=C2/S/C(=N/N=C/c3ccccc3F)N(Cc3ccco3)C2=O)cc1 1615304706 ZHWDOWVBCOARNR-AQNGZRBHSA-N 448.523 4.991 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1 1616475980 DOPXNPDWMFWCJI-LJQANCHMSA-N 435.293 4.790 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)cc1 1621615439 MGDIHVITVJRPPU-UHFFFAOYSA-N 441.380 4.761 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 1623471467 FZPPQJPOPGYESC-UHFFFAOYSA-N 430.552 4.700 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cccc(Br)c1 1626140661 DSXNOAHIPHFBQR-CZUORRHYSA-N 445.785 4.532 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 1630484976 XIKGLAKGPQVCRM-RHSMWYFYSA-N 448.951 4.512 30 10 IJEE C=CCOc1ccc(CNC(=O)NCCc2c[nH]c3cccc(Br)c23)cc1 1635152590 ULHQTLXOWVZGQO-UHFFFAOYSA-N 428.330 4.537 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@H](Cc1ccccc1Br)C(=O)OC)c1ccccc1 1639983055 TYOVZLWVQRDMNV-TZIWHRDSSA-N 444.369 4.790 30 10 IJEE C=CCN(Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1cc(Br)ccc1F 1641675298 IYPDXPKRRGIJKE-UHFFFAOYSA-N 446.276 4.555 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(C#N)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1643337876 GUSVEXCZHPRVIH-AWEZNQCLSA-N 435.574 4.615 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 1645232756 YNJQUSHWAGPFFM-MJGOQNOKSA-N 435.996 4.532 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC 1646069953 DBIKNSNZPKMNAL-LOSJGSFVSA-N 442.559 4.658 30 10 IJEE C#C[C@@H](Nc1ncnc(C(F)(F)F)c1Br)c1ccc(Br)cc1 1651098417 BMEHCEFIVQTTAP-SNVBAGLBSA-N 435.041 4.807 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)Cc2cccs2)c1 1653701773 LIMRZZBFNDQTHJ-UHFFFAOYSA-N 445.588 4.761 30 10 IJEE C=CCNc1ncc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)s1 1654191900 NKXDPSPZADUDGH-UHFFFAOYSA-N 432.593 4.934 30 10 IJEE N#Cc1ccccc1-c1ccc(Cn2nnnc2Cc2ccc(Br)cc2)cc1 1656296149 DZTKOMJUYKUDEW-UHFFFAOYSA-N 430.309 4.613 30 10 IJEE C=CCC1(CNS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCCC1 1661955155 GSNVBBWSNFYGOQ-UHFFFAOYSA-N 426.298 4.883 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](O)c1ccc(Cl)c(Cl)c1 1662921847 DLLVHNDDWYTBIS-KRWDZBQOSA-N 429.141 4.591 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 1668343381 RMQRVGBANPUHGG-KKSFZXQISA-N 447.938 4.627 30 10 IJEE Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)n(-c2ccccc2)n1 1671214274 CTFODEHSXMBZRI-AWEZNQCLSA-N 438.329 4.568 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C(=O)OC)c3ccccc3c2)cc(OC)c1OC 1672670497 ICCWHYKGVOPPMN-UHFFFAOYSA-N 434.492 4.694 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)cc1 1673821358 FJPXPPQQQZWZEW-OXQOHEQNSA-N 430.512 4.947 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)CC1 1674144306 JLPRVUQOSOCZIT-UHFFFAOYSA-N 432.442 4.667 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1676957017 XKORITJKNNKNEY-HSZRJFAPSA-N 441.616 4.990 30 10 IJEE C[C@@H]1COc2ccccc2CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1677479003 HKMJAYLFQJUIMB-QGZVFWFLSA-N 429.524 4.856 30 10 IJEE C=CCc1cc(CNC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)cc(OC)c1OC 1677966409 CJRHPWIJPQNKOT-UHFFFAOYSA-N 434.458 4.760 30 10 IJEE C[C@@H](CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N(C)C(=O)OC(C)(C)C 1678621055 HKBHQECALOLJAW-INIZCTEOSA-N 442.585 4.731 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 1678823724 MWALEUXPQBICAV-AABGKKOBSA-N 433.321 4.710 30 10 IJEE C=CCC[C@@H](CO)NC(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1680794817 PGPXZJCNSPWXSU-AZUAARDMSA-N 440.437 4.591 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1nc2cc(Br)ccc2n1CC 1682331792 LBYPIEIXJZXOBB-SFHVURJKSA-N 441.373 4.805 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1)c1ccc(Br)cc1 1682357283 WKMUSKWDXJIIKK-WBVHZDCISA-N 444.398 4.658 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1c1ncc(Br)cn1)c1ccc(Cl)cc1 1683675361 AAZVQMVUTPJCFD-IRXDYDNUSA-N 433.737 4.504 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCCCC1)c1ccc(F)c(F)c1 1686173689 NIKXKFQHJYIPQA-GHTZIAJQSA-N 435.515 4.769 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690248524 OJYFFORBBFLAQK-JROBLHLSSA-N 444.570 4.886 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC1 1690252209 BDQUZDSXDJXGRX-FOIQADDNSA-N 437.371 4.745 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1OCC 1690259505 LVYRCYZLVNTMNY-UHFFFAOYSA-N 429.927 4.982 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cccc(Br)n1)C1CC1 1690539208 YGSTVHOVCAWKFM-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1(SC)CCC1 1690559813 KNTSFQVHDIXOGQ-NRFANRHFSA-N 437.613 4.870 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1cscc1C 1690569415 HHRUWVFZTZJKOF-IBGZPJMESA-N 426.561 4.922 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1C 1690609671 WTBKTGVSBJNFNC-HKUYNNGSSA-N 425.602 4.898 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1690632894 WNRKKETUUBRAOS-HOTGVXAUSA-N 431.378 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@H](C)c2ccc(OC)cc2)C1 1690696463 CGJHEGWPBQZLGC-WMZHIEFXSA-N 447.583 4.632 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)C[C@@H](C)S1 1693829991 BXHIUVYWPQJBDZ-QZTJIDSGSA-N 425.602 4.639 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1CCCCC1 1705502202 DIFXVNHVVHIFSI-MRXNPFEDSA-N 431.378 4.658 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC2CCCC2)CC1 1705509609 LFJLYCIRBZVQSX-UHFFFAOYSA-N 437.544 4.585 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1705515303 AAZHBFOTBKMNAL-NHCUHLMSSA-N 446.954 4.694 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC1CCOCC1 1705623464 SIMGOXLBRIBDRS-UHFFFAOYSA-N 438.616 4.535 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(OC(F)F)c1 1705670827 KQYJPUNWBXRSHJ-XMMPIXPASA-N 437.494 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCCC[C@H](SC)C1 1705701743 IGTWTKVKGVEENQ-FIXSFTCYSA-N 440.657 4.880 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCSC2)CC1 1705762591 CXCQXCGXZNAJCC-MOPGFXCFSA-N 428.602 4.726 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1705827067 SNLBVUNUFJINHU-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CCC[C@@H]1C 1705836725 DQPDIQZETSLQSK-DJJJIMSYSA-N 439.785 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1cccc(F)c1F 1705866399 PACUGADMLLWQGC-UHFFFAOYSA-N 438.507 4.510 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC[C@H]1OC 1705882380 VJBRTAGEQFRSFI-CMKODMSKSA-N 444.645 4.585 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](N2CCCCC2)C1 1705887151 QJMVZIGOLBHPBE-FPOVZHCZSA-N 444.023 4.939 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705940675 LOVMOPNMRAYJLM-SFHVURJKSA-N 446.064 4.828 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1706076852 DGGPOXBUIGOPMK-FQEVSTJZSA-N 446.599 4.670 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(C)CCCO2)c1C 1706978254 BCSDERCHZZRHOJ-ZPZUNKDASA-N 437.588 4.734 30 10 IJEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722322141 JRWPEEJLDDQVSD-HXUWFJFHSA-N 434.540 4.912 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=C)Br 1722404482 CCGLVXIWZWCMMF-UHFFFAOYSA-N 442.386 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C(CC)CC)N(C)C 1722472474 FRGZDFGFFLBBDR-WIOPSUGQSA-N 442.051 4.881 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1ccc(CC)o1 1722485209 XSAIQECROBZHOG-INIZCTEOSA-N 430.350 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)OCCc2sccc21 1722503164 RHWBBLVTYRUUFY-XMMPIXPASA-N 433.581 4.769 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(CCCN3CCOCC3)CC2)nnc1C(C)(C)C 1722593096 HOXNPEKNRRFLAZ-UHFFFAOYSA-N 431.669 4.507 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cnn(CC(C)C)c1C 1722663038 SBHPZUWRCKBTTH-UHFFFAOYSA-N 447.612 4.803 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CC2CCC(F)(F)CC2)C1 1722721536 UIPKTWLSDYSNFH-OAQYLSRUSA-N 430.543 4.670 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCOC2)C1 1722732799 PHORWEYYXXCQFL-HTAPYJJXSA-N 449.020 4.608 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)SC)C1 1729263863 CVFRDVPGNOFFLS-IMFGXOCKSA-N 445.658 4.591 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCSC(F)(F)F 1740662529 UJWOVUOIZKLEFE-MRXNPFEDSA-N 426.508 4.747 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1740674471 IMVCACBIWALVJP-ATIYNZHBSA-N 438.616 4.962 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCCN1CC 1740776698 YOBOSXJWTNCGOR-JOCHJYFZSA-N 425.621 4.751 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1740860426 DVFPDJPSXMINQD-IBGZPJMESA-N 427.593 4.580 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1 1740922257 ZKEWENSZXZXEPM-HXUWFJFHSA-N 436.629 4.715 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)C[C@H](C)C#N)s1 1744358873 GCLHQQDAGOEJKI-CQSZACIVSA-N 429.977 4.875 30 10 IJEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1746034922 GPHFWZWMVZJXMT-DHIUTWEWSA-N 448.615 4.624 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](CC)C1 1748703399 ZZNCFQKGIJCXMH-CQSZACIVSA-N 439.448 4.904 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1748764722 UIGBTTMCKJJYHR-XPWALMASSA-N 436.600 4.960 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748833097 IVZGHLCSMYMORI-NFBKMPQASA-N 444.579 4.994 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCc1cccs1 1748914195 BDMNXLQKKMLGBL-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H]1CCCCN1CCC 1748940270 GZEFIFUPWVLYET-NZQKXSOJSA-N 425.596 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1noc(CC)n1 1749146985 UXTPRXZVELUADN-INIZCTEOSA-N 440.617 4.722 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(Cl)nc2C1 1749284463 JBRMDVJVGIYWHM-CRAIPNDOSA-N 436.387 4.560 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(O)(CC)CC)CC1 1749293549 QFQYDMWTVPFIJU-UHFFFAOYSA-N 436.556 4.825 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCC2CCOCC2)CC1 1749296476 OIEUXEVMNNAMFQ-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccccc2OC(F)F)CC1 1749297216 BEFAYLCJIAGLRQ-UHFFFAOYSA-N 425.483 4.649 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(CC)CC2)C1 1749697002 GUBHTJHEXUJOTJ-SFHVURJKSA-N 431.378 4.679 30 10 IJEE Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)sc1C 1751333083 DHHRTFVDTQVKQD-GOEBONIOSA-N 442.564 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccnc(SCC)c1 1760099399 GCGBDWDZSOSQFU-IBGZPJMESA-N 431.609 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(NC(C)=O)cc1 1760103577 IGAFMQICPWNAKG-IRXDYDNUSA-N 447.608 4.596 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760154241 QGSIYLNASPEACB-GOSISDBHSA-N 444.963 4.714 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1c(C)noc1C 1760197459 XJJFTKJBYKRBKZ-SJORKVTESA-N 447.608 4.613 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(OC)CCCCC1 1760230208 VHERXZJDEUVWSW-UHFFFAOYSA-N 440.588 4.550 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1760399394 KXAJCSUSCUETNC-ICSRJNTNSA-N 440.588 4.570 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1760435072 WPTDRIHQAVYZJU-UHFFFAOYSA-N 448.958 4.879 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1760453105 NXAPRBSLSBIIFV-UHFFFAOYSA-N 444.645 4.865 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCOc2ccccc21 1760496518 XLZBUMKBTTXTEL-LJQANCHMSA-N 435.597 4.769 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)cc1C 1760499859 MDIYXILMNINIEI-UHFFFAOYSA-N 442.567 4.591 30 10 IJEE C[C@@](O)(Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccc(Cl)c1 1761544403 CPCRDWOSBDCSIF-BJKOFHAPSA-N 442.007 4.702 30 10 IJEE COCCC1(Cn2c(CCCc3ccccc3)nnc2N2CCC(C#N)CC2)CCCC1 1770998039 BEQCZNSLBGYVJU-UHFFFAOYSA-N 435.616 4.790 30 10 IJEE CC(C)c1ccc(-c2nn(-c3ccc(Br)cc3)cc2/C=N\NC(N)=S)cc1 1857807287 ZSHCSSPIXOXPBY-KSEXSDGBSA-N 442.386 4.592 30 10 IJEE C[C@H](Oc1cccnc1NC(=O)Nc1ccccc1C#N)C(=O)Nc1ccccc1Cl 1858846404 JZVWYHIDZLVZTI-AWEZNQCLSA-N 435.871 4.657 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCC 1860728903 WRHWNXZGWJFLQI-WEVVVXLNSA-N 432.860 4.657 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861210086 HBBIODBDOHLMKF-ISKFKSNPSA-N 429.649 4.660 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(OCC(C)C)cc1 1861769084 GDPMIHGSHSRMJF-ISKFKSNPSA-N 446.632 4.554 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)Cc1ccc(OC)cc1 1861847017 DTOBBSRFEXQBPW-JOCHJYFZSA-N 436.662 4.733 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCN(C)C)cc1 1862385279 LIZRYROZRUSTET-HXUWFJFHSA-N 447.362 4.696 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@@H]2c2ccccc2F)cc1 1862474227 LJZDSZIXLVOZPO-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2Cl)cc1OC 1862569277 JITFRSYUDOMPJC-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591110 DCQYILAXZIHIFL-NRFANRHFSA-N 437.854 4.963 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 1862677431 BMMHOEAXVIQRAQ-XMMPIXPASA-N 444.506 4.979 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 1862680395 AHZZXABNRVLKLM-SFHVURJKSA-N 432.289 4.823 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2C)c1 1862699033 PYOXIGCKNIDXTL-JOCHJYFZSA-N 433.529 4.886 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)ccc1O 1862718370 YZBMDHXMHSMLLD-HSZRJFAPSA-N 431.488 4.788 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1OC 1862722417 ZVNVRVFIUHPWPS-QHCPKHFHSA-N 431.488 4.845 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862760741 VGGYFHNBJSPKNM-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N([C@@H](C)c2ccc(OC)cc2)C1=O 1863731927 HXOOVGQMPZEWQW-ZDUSSCGKSA-N 431.319 4.619 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCN(C)C)C1=O 1863787341 ISSQRDJUAAHFKJ-UHFFFAOYSA-N 445.623 4.896 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)c1C 1870145130 UDKKURAPOYECGU-UHFFFAOYSA-N 425.492 4.707 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 1870153805 HTAUFAAVVWEYRW-JXMROGBWSA-N 444.495 4.946 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CSc1ccccc1 1870215595 YQBVPSIVFJURJW-UHFFFAOYSA-N 434.561 4.961 30 10 IJEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CSc1nccn1C 1870225240 MLHXYPOCKIIZNK-UHFFFAOYSA-N 439.581 4.607 30 10 IJEE C=CCOc1cn(CCCN2CCCC2=O)c(CN(CCCC)CCCCCC)cc1=O 1870383121 DXVASKJOGYTISN-UHFFFAOYSA-N 445.648 4.608 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)cc(C)c3C2=O)cc1 1871384512 WBOWDBMFFVNSAC-HAHDFKILSA-N 430.456 4.994 30 10 IJEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871409527 QLPYNAOTTDPXTA-OGQLAUOESA-N 443.455 4.746 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871456196 RJEYBYLZBBJAHX-XKZIYDEJSA-N 444.443 4.845 30 10 IJEE CCCCCCCCCCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2ccccc2)[nH]1 1871601913 USWGQHSTTCSESK-UHFFFAOYSA-N 442.652 4.610 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1 1871842716 VWZXRVIKQXOGAD-KRWDZBQOSA-N 442.562 4.744 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871910315 IVMBMXMZZHRMBW-KSFYIVLOSA-N 432.561 4.673 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 1872612851 HYUPZNFJWBMVNV-FQEVSTJZSA-N 431.042 4.900 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766880 LIXPZSXZQYPJTI-MRXNPFEDSA-N 426.444 4.908 30 10 IJEE N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773775 YBQOQIGOGIZVSA-AWEZNQCLSA-N 427.279 4.791 30 10 IJEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872786970 XSMGFDMTFMGICO-QFBILLFUSA-N 443.528 4.596 30 10 IJEE N#Cc1cccc(Nc2[nH]c(=NCc3ccccc3F)nc3c2cnn3-c2ccccc2)c1 1873477159 GJGLJVZNSABGGS-UHFFFAOYSA-N 435.466 4.604 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617365 LURRLNHJNTWPRU-UHFFFAOYSA-N 440.551 4.856 30 10 IJEE N#Cc1cccc(NC(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2-n2cccc2)c1 1873866746 LIUVOCBGLCOEMD-UHFFFAOYSA-N 437.381 4.686 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cc(Cl)ccc1O 1874248214 FRNXZILRTFYHEL-OEAKJJBVSA-N 430.961 4.951 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874254265 ZBCHAVJMDSFNCR-XQNSMLJCSA-N 437.525 4.667 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(O)c(O)c1 1874258694 DJUGVAIVIXNIII-OEAKJJBVSA-N 426.542 4.605 30 10 IJEE CC(C)c1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCC(N)=O)cc1 1874270688 JRQBWLUKIARHOO-JFLMPSFJSA-N 443.576 4.605 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874371989 BTYRZGINHREXKU-HYARGMPZSA-N 446.598 4.535 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccccc1Cl 1874391412 GJLLTZVNJZSHHR-ZVHZXABRSA-N 442.972 4.758 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccccc1F)c1ccccc1 1874497401 ITBXAQHAXSSWSM-MMDHUZEPSA-N 437.544 4.536 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(OC)c1 1874506178 QOGVPFVRHKUAOJ-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)o1 1874519340 OGJMIGXSKHONEZ-SSDVNMTOSA-N 430.917 4.753 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1874612359 QDFPWEWRZHYUEG-CMDGGOBGSA-N 447.871 4.875 30 10 IJEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875087602 BXEOQAIAVRSWKD-FNORWQNLSA-N 438.417 4.988 30 10 IJEE O=C(Oc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1cnccn1 1875155115 MWTRNAFCWZXTHS-CSKARUKUSA-N 425.400 4.653 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)c(C)c1C 1875164606 RRALBMDQWKFMTQ-WFNSPDMASA-N 444.911 4.955 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc2c(c1)ncn2-c1ccccc1 1891807039 ZBFHGTMVJATFSY-UHFFFAOYSA-N 449.432 4.857 30 10 IJEE C=C(Br)COc1c(Br)cc(Br)cc1C=CC(=O)O 1911800868 WBWBJPRGVXVLSV-UHFFFAOYSA-N 440.913 4.597 30 10 IJEE C#C[C@H](C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 1925426555 MAFAOOARIPTVCN-GMAHTHKFSA-N 427.633 4.574 30 10 IJEE C=CCN(C[C@H](N)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1930729095 PVZPXFLWNYQPMK-ZDUSSCGKSA-N 434.172 4.635 30 10 IJEE Cc1cc(N)c(C#N)cc1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1977659033 JQZWGBMTQHFBQP-UHFFFAOYSA-N 442.519 4.721 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cc(Br)ccc1Br 1982457485 JSASZDJJDGPBGS-HUUCEWRRSA-N 448.199 4.551 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)CCC1(F)F 1991565913 YOZDOEMMRJAKBH-MGPUTAFESA-N 431.524 4.951 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCc2ccccn2)cc1CSCC(=O)O 2041455064 MQHVMSUMUACWGI-UHFFFAOYSA-N 449.528 4.883 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1)NCCC 2065383100 ZLLNGCUDCNTVDE-XZOQPEGZSA-N 444.616 4.686 30 10 IJEE Cc1cc(O)c([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079970062 NAYNXZRPJPRNEM-LJQANCHMSA-N 447.320 4.949 30 10 IJEE CCOc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1 2080108100 YGSKIPPYCBRJIF-GFCCVEGCSA-N 441.313 4.601 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(NC1CC1)C1CCCC1)Cc1ccccc1 2086670170 YKDUDLXHQJBNOL-NDEPHWFRSA-N 430.640 4.825 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cccc1Br 2116832786 GXTKINNEVYKNNY-FUHWJXTLSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2124521634 JBSYODGZIAQBIF-HNNXBMFYSA-N 448.344 4.871 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2cc(Br)cc(F)c2C#N)C(C)(C)C1 2132481283 FBPBMXXWBQOJLA-GFCCVEGCSA-N 426.330 4.589 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 2145541422 MMTHSFMWESOINK-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE Cc1c(Cl)cc(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)cc1Br 2167377107 MWSAKBQPOLVJAB-VIKVFOODSA-N 440.574 4.575 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(Br)c2C#N)Cc2ccccc21 2174768047 QXPSHDYWNRJRGV-GOSISDBHSA-N 428.330 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1c1cc(Br)cc(C#N)c1 2174809993 HDKLGGLOUJGDCT-KRWDZBQOSA-N 448.283 4.747 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(C#N)cc2Br)CC1(C)C 2181098494 NTJYEIVCUIGTNM-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1Br)[C@H]1CC=CCC1 2196084969 IGWCFMPKMRUJEQ-WMLDXEAASA-N 434.334 4.509 30 10 IJEE C[C@H]1[C@H](C(=O)Nc2ccc(C#N)cc2Br)[C@H](C)CCN1C(=O)OC(C)(C)C 2200686344 LOWPVFQVWKDRII-IIYDPXPESA-N 436.350 4.541 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)CC(C)C 2210263899 BRNUIKRIUCCTHJ-UQBPGWFLSA-N 447.579 4.948 30 10 IJEE CCCc1ccc(C#C[C@H](O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223350870 UZFSZGKKLWORDX-DQEYMECFSA-N 437.580 4.852 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cn1 2235730300 OFTWFXFXTWLZJF-GOSISDBHSA-N 430.346 4.893 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239664406 KPIUSCBRRSIBFV-PKOBYXMFSA-N 439.394 4.805 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255528453 AREWLEPUBBZJJA-UHFFFAOYSA-N 425.353 4.813 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2285212622 KNTWBGLCPGFERS-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2296293354 ISMUWVMHIWLTFQ-LNKGRISISA-N 435.406 4.670 30 10 IJEE CC(C)n1ncc([C@H](N)C#Cc2ccc(Br)cc2)c1NC(=O)OC(C)(C)C 2296302578 LDPSQKQBRNGFDP-QGZVFWFLSA-N 433.350 4.625 30 10 IJEE COc1cccc(COc2ccc3c(c2)OC(=Cc2cc(OC)c(OC)c(OC)c2)C3=O)c1 2296844737 ACHQERLWBZBUHE-UHFFFAOYSA-N 448.471 4.916 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccc(F)cc2)C1=C(O)C=Cc1ccccc1 2296930538 QSQYGJQYAYILDM-HSZRJFAPSA-N 443.430 4.706 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nncs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2297747289 NWPZJKBQMUZBSZ-IBGZPJMESA-N 433.533 4.770 30 10 IJEE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1ccc(Cl)cc1Cl 2313601806 WPXFWHUPELSPGG-UHFFFAOYSA-N 447.351 4.953 30 10 IJEE CC[C@@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317357317 WFBNXFGZFDGQOM-QHCPKHFHSA-N 432.370 4.798 30 10 IJEE CCCCC1CCC(c2nnc(S)n2N=Cc2cc([N+](=O)[O-])cc(OC)c2O)CC1 2322106732 FMOFTQLIMPBFML-UHFFFAOYSA-N 433.534 4.535 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)OC(=Cc1cn(CC)c2ccccc12)C3=O 2322145795 ZOGQDYVDWGMIAP-UHFFFAOYSA-N 432.520 4.856 30 10 IJEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)c1OC 2322312263 FQYYCXRXYOOCJZ-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)cc1OC 2322785103 XMSAZVKLXBOGIT-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCc1nc(O)c2ccccc2n1 2323719010 CHQKLRBPTBSLRZ-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccc1 2324186272 RLDJMTPFJQDZMG-KRWDZBQOSA-N 448.450 4.886 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OC)c1OCC 2325553878 CZLYXHDKUXQLRR-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 2325666100 HCNPOVRKAZDHLB-UHFFFAOYSA-N 427.806 4.987 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1ccccc1F 2326477270 UGDYLICBFXVDOL-UHFFFAOYSA-N 426.517 4.945 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2N=Cc2c(Cl)cccc2Cl)o1 2326863102 VNSGAWGOHATLIR-UHFFFAOYSA-N 439.324 4.918 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)cc1 2328567598 QHUDTMUEUCCCNJ-UHFFFAOYSA-N 447.539 4.976 30 10 IJEE CCCSc1nnc(CCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330202560 DWXPXCCAVOXJRG-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccco2)cc1 2330547593 JXAOEUFGUUQFBM-UHFFFAOYSA-N 437.550 4.775 30 10 IJEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)c1O 2330965588 ABZXCDBYAZCDNJ-FQEVSTJZSA-N 438.553 4.635 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)c1 2331182611 LUPCAYSRCLAYDT-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1 2331539602 SZNARCNXVIFZKF-UHFFFAOYSA-N 434.009 4.822 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2ccc(CNC(=O)OC(C)(C)C)cc2)n1 2337036470 QYTHINGONBFTHK-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2339575831 ZYSCUJHIOQISQM-QZASHXROSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]2(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339589386 WSXROTUSSKMWQR-MHECFPHRSA-N 442.365 4.505 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2Oc1cc(Br)cnc1C#N 2381061649 GALXYCDSOBKHJR-XBMZAUBUSA-N 436.350 4.567 30 10 IJEE Cc1ccccc1-c1nc2cc(/N=C/c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3O)ccc2o1 3113257 BJJLELZFYNMMBV-LSHDLFTRSA-N 434.364 4.781 30 10 IJEE C=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc2c(c1)OCO2 12652849 YKAQJXHCXWMITJ-QTOLTWMYSA-N 429.448 4.516 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3sc(C)c(C)c3C#N)cc2)cc1 20571420 VRIUKNHNCBBQPH-UHFFFAOYSA-N 425.535 4.598 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cc(C)cc(C)c2)Nc2ccc(F)cc2)c1C 32973419 LSLMIQCXSCOYKB-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(O)cc3)oc12 33522340 PQAFREZICBTQQE-OAQYLSRUSA-N 445.427 4.519 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)COc1ccc(C)cc1C 40844648 OUNJTJITKVVOCW-UHFFFAOYSA-N 442.467 4.759 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(N(C)C)cc1)C2=O 41285734 FPDKTIAQJLFIJR-HAHDFKILSA-N 429.472 4.905 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C/c2cc(C)n(C)c2C)C1=O 103846661 ZYSHNCYZIGJXSC-CPNJWEJPSA-N 426.538 4.584 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(F)cc2)c1 170061029 KJCBPYPNNWXQTC-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(N(C)C)cc1 170128435 IRYFIPFYZMDYEK-DEOSSOPVSA-N 444.531 4.521 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)cc1C 170157518 ICUJHUOWJHZRCR-NRFANRHFSA-N 435.501 4.862 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccs1 170160128 QUZYSAVZBJYBEK-JLCFBVMHSA-N 447.512 4.863 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)cc1C 170185343 HNYBXOXBAYSPAP-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2cccnc2)cc1 170186128 WZYBNBVDOZPEQO-JOCHJYFZSA-N 432.451 4.575 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)c1 170198106 FQSXYLIVPXCLTD-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccncc1 170210973 QRPHJBFANTXDBG-FQEVSTJZSA-N 428.916 4.902 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)c1 170225494 JLUQJLJCGFFTJQ-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccc(F)cc3)ccc2O1 170237493 VCZXVYGOPCWGNH-FPTDNZKUSA-N 449.503 4.989 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2C)cc1 170272363 NLGMCTWFRZDONP-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(C)[nH]c2ccccc12 170311524 HTFNIJKGSGYLDN-XMMPIXPASA-N 444.531 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)cc1OC 170319587 SBVIEJMJMQPMSO-IBGZPJMESA-N 427.522 4.595 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(O)cc1 170450262 NDAIMKALORXGGN-GOSISDBHSA-N 433.426 4.922 30 10 IJEE O=C(CSc1ccccc1N=Cc1cccnc1Cl)Nc1ccc2c(c1)OCO2 254404913 DRFRFCNPRROIJL-UHFFFAOYSA-N 425.897 4.945 30 10 IJEE COc1ccc2c(c1)/C(=C1\SC(=Nc3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 254704754 XBPBUYZLGJSDDQ-WISIWACDSA-N 427.485 4.826 30 10 IJEE ON=C1C[C@H](Sc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2)[C@H]2CO[C@H]1O2 254867257 CRCGPAKBIIZFSD-AOIWGVFYSA-N 447.438 4.752 30 10 IJEE C=CCCc1ccccc1NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 410352417 OSOOMZWQADQPSC-UHFFFAOYSA-N 426.563 4.513 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)C(C)(C)C)cc1 467884793 AOVRJNLDCNMRAS-UHFFFAOYSA-N 433.556 4.593 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1)c1ccc(F)c(F)c1 477191391 IMKDHMVFHUYXIB-SBUREZEXSA-N 430.495 4.805 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)cc2)cc1OC 526516849 SEWFOFZSOJOFMQ-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1c(C)[nH]c2ccccc12 526828078 WERXMSSWLHGLSQ-QFEZKATASA-N 447.564 4.981 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526829223 XHOBJHIJZDZRAQ-ZBKNUEDVSA-N 438.296 4.682 30 10 IJEE C[C@@H](C(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C)n1cnc(C#N)n1 547379866 NCICABXDIOEEJN-VKJFTORMSA-N 444.926 4.581 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccccc1 549148816 ICHZJUNLBUSJLS-UHFFFAOYSA-N 433.581 4.757 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C[C@@H](c2ccsc2)O1 549539612 QAOVCDXYYZXTGX-MBSDFSHPSA-N 441.560 4.893 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N3CCCCCC3)CC2)c1 586094019 ZPSQGULGTZDVQO-UHFFFAOYSA-N 426.605 4.714 30 10 IJEE N#Cc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 586208812 SKUUVHDJIOJXOK-UHFFFAOYSA-N 427.323 4.716 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(-c2ccncc2)s1 607485456 JHVMJUVRVILETI-UHFFFAOYSA-N 432.318 4.935 30 10 IJEE Cc1nc(C2(NC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CCCCCC2)no1 610697484 PQMKVYFGWDSOPC-UHFFFAOYSA-N 432.484 4.808 30 10 IJEE O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCN(c2ccc(F)cc2)CC1 612804271 HBHSPUTWHDQQJA-NHAGDIPZSA-N 441.391 4.567 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(OCc2ccc(F)cc2)CC1 670231054 OYKDCVYWMBKKAQ-DEOSSOPVSA-N 448.542 4.855 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C2 721767804 HJYCMUQSLISXRD-WHSLLNHNSA-N 434.541 4.606 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 735349552 JWIKIQJLVPIQON-UHFFFAOYSA-N 437.761 4.668 30 10 IJEE C#CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 742784242 GGOAAXMXPPLWOZ-UHFFFAOYSA-N 445.375 4.863 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3CCCN3c3ncnc4ccccc34)c2)s1 750778705 HWVHXADEOXBBIU-JOCHJYFZSA-N 439.544 4.515 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)OCC#Cc3ccc(C(F)(F)F)cc3)o2)cc1 750883572 JCVBIXYPHJJKIG-UHFFFAOYSA-N 429.394 4.897 30 10 IJEE COc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(C#N)CC2)CCC(=O)N1c1ccc(C)cc1 780780624 XBDIJEXNRLKCQT-WIOPSUGQSA-N 445.563 4.640 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2C2(CC2)C1 809908953 KIGVAMLOMPVIBV-HXUWFJFHSA-N 449.599 4.630 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 812351814 ANJINZJVEAUXNO-SVFBPWRDSA-N 448.872 4.759 30 10 IJEE COc1cccc(C(=O)CSc2n[nH]c(NN=C(C)C34CC5CC(CC(C5)C3)C4)n2)c1 1084232447 ZONJPQNHVSZQTP-UHFFFAOYSA-N 439.585 4.793 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(OC)c(Br)c(OC)c2)C(F)(F)F)cc1 1128970037 BXAOHIKPSFWORN-KRWDZBQOSA-N 443.215 4.908 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 1129588439 IIPPZSSTPKKHJF-SFHVURJKSA-N 432.314 4.824 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@H]2CC2(F)F)nnc1-c1ccc(Cl)cc1Cl 1131510247 YBXIRSJVSJQPPF-NSHDSACASA-N 447.338 4.692 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1134901114 VKEPZYACJMJBJF-UHFFFAOYSA-N 438.405 4.957 30 10 IJEE C=CC[C@H](C(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1)c1ccccc1 1141566852 XKJQXSPLFRFNBJ-ISJGIBHGSA-N 432.564 4.900 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(CCc2ccccc2C)[nH]n1 1144119879 VQFOCBDJTMQHSA-UHFFFAOYSA-N 427.508 4.506 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2nc(CC)cs2)nnc1-c1ccc(Cl)cc1 1162782637 XKVIPETWCFQMRL-CYBMUJFWSA-N 448.017 4.773 30 10 IJEE COC(=O)c1cccc(CN(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)c1C#N 1191254693 BGHJARINCXMCPB-RUZDIDTESA-N 442.515 4.879 30 10 IJEE C#CCN(C(=O)Nc1ccc2ccn(CCC)c2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1200994731 DSMVPPNCDHQMNU-UHFFFAOYSA-N 438.572 4.918 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCC(=O)OC)c2ccccc12)[C@@H]1CCCc2ccccc21 1215917922 DTXFPOHMOAJHQV-XMMPIXPASA-N 442.515 4.936 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2cc(C)cc(C#N)c2)c2ccc(OC)cc2OC)cc1 1219113078 GEEZXXKRDARIME-XMMPIXPASA-N 431.492 4.804 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc2n1 1220157856 YKMWRACHQQYIPL-HSZRJFAPSA-N 429.565 4.673 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC(C)(C)COc3ncccc3C(F)(F)F)cc21 1220204580 SKGWUDNYQSIINR-UHFFFAOYSA-N 433.434 4.615 30 10 IJEE C[C@@H](NC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1226074730 FTKIUGAKVFGNTC-LJQANCHMSA-N 430.577 4.875 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(Cc1cccc(Br)c1)CC1CC1 1227923632 DUNIPCFWYQDHRJ-UHFFFAOYSA-N 427.342 4.583 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCO[C@@H]1C(C)C 1229110543 SCQBBDLRRHWVAU-DNVCBOLYSA-N 427.358 4.737 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2(c3ccc(Br)cc3)CC2)cc1OC 1264706107 RZKUPZQSBZUKTA-WZUFQYTHSA-N 428.326 4.841 30 10 IJEE C#CCN(C(=O)Cc1coc2cc(F)ccc12)[C@H]1CCOc2ccc(Br)cc21 1265211037 ZXOKEBDVMIWRLE-IBGZPJMESA-N 442.284 4.863 30 10 IJEE C#CCOc1ccc(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 1265521229 UUSOEHZCYUOHLU-XMMPIXPASA-N 435.907 4.889 30 10 IJEE C#CCSCC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1Br)CCC2 1271573752 MFHUGELIZPOJGP-UHFFFAOYSA-N 448.407 4.844 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CCOCC1 1286315541 AKJDTZTWWHOQDD-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](SC)C(C)(C)C 1286368961 WXOANFOYQPWUOU-CYBMUJFWSA-N 427.437 4.616 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC[C@@H]21 1286508682 PGGSBBPHFKEZSJ-ICSRJNTNSA-N 445.032 4.607 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286591282 LLCDFIJRCVJPNS-QFIPXVFZSA-N 442.604 4.960 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1286600017 HBTXZPXJZVSKON-NNMXDRDESA-N 428.552 4.919 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](CC)C1 1286606071 FYXQQNNLYDXVPG-IBGZPJMESA-N 439.585 4.525 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1286625264 COELWQYEPDJBGP-JOCHJYFZSA-N 434.968 4.500 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCc2c[nH]nc2C)CC1 1286643800 WJUYKGNOIDBYNY-UHFFFAOYSA-N 441.377 4.528 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[C@@H](C)C2)CC1 1286652019 RLPZLWHLWKMAFT-XLIONFOSSA-N 442.007 4.700 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2csc([C@H](C)OC)n2)CC1 1286664971 NGTODRUMRWNVCM-SFHVURJKSA-N 437.613 4.678 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1286667983 NYDZNOLRYIPDQM-MSOLQXFVSA-N 444.551 4.549 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nccnc1C 1286714903 VDQTZZBBDMATMT-GOSISDBHSA-N 440.979 4.652 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1noc(CC)n1 1286718695 ASCCUEBAJPIXPB-UHFFFAOYSA-N 438.532 4.623 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CC)C1CC1 1286739166 RGXFWSHLCULDHW-IBGZPJMESA-N 432.037 4.863 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1Cc1ccncc1Cl 1286760088 JQCGTYRUPPLCJC-UHFFFAOYSA-N 430.943 4.672 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@H](OC)C(C)(C)C)C1 1286802996 FRWXPJSYNHMSDI-YADHBBJMSA-N 438.616 4.591 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2c(F)cccc2Cl)C1 1286811260 BDQNVFOHOPEKPE-INIZCTEOSA-N 432.952 4.553 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 1286827278 JEWHGYKBCIFONW-ZIAGYGMSSA-N 439.398 4.858 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccncc2)n1Cc1ccc(F)c(Cl)c1 1287602151 DACZUTSIGPSGCE-UHFFFAOYSA-N 440.954 4.871 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1 1287605297 HWTIFOYZDBTDAS-GOSISDBHSA-N 435.494 4.615 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC(=O)Nc1cccc(Cl)c1C 1292564335 WGLNOEDQOSQMEP-UHFFFAOYSA-N 440.849 4.991 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccccc2F)c1 1297473074 BLMCMWUUSVDWBL-LJQANCHMSA-N 443.519 4.879 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1csc(C)n1 1300282933 QYIIIFKZLSCJPN-QGZVFWFLSA-N 447.564 4.583 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nc(C)c(C)s1 1300565642 SKGBXOHUOKUFCY-UHFFFAOYSA-N 444.391 4.836 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1300850335 YORCYUFXDCFNRQ-LRDDRELGSA-N 436.225 4.795 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(C)C)CC1 1300975468 UUKRPEJDCKEGSN-UHFFFAOYSA-N 436.398 4.501 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1300980000 BSLMDYVDBGHFOU-XZOQPEGZSA-N 449.599 4.583 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1301036516 GFCZPOUKNYWGQX-HKBOAZHASA-N 430.980 4.876 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1301072244 GIIAUOVJSZIEJL-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC[C@@H]1CCO[C@@H](C)C1 1301279289 ZWGHGGJBBIKSOC-JKSUJKDBSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1ccc(Cl)nc1 1301340574 IYTYAXNFIDHBDW-UHFFFAOYSA-N 441.926 4.501 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1301365477 QLCZLBJRIYSYBZ-QGZVFWFLSA-N 445.633 4.740 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCC2CCOCC2)c1 1304268148 GAEGNDFYAVSSBR-FQEVSTJZSA-N 439.604 4.702 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3sc4c(c3c(=O)n2[C@@H](C)CC)CCCCC4)C1=O 1307240651 UPNSQIVMFQJITO-WMLDXEAASA-N 431.627 4.577 30 10 IJEE CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)Cc1ccc(C#N)cc1 1307415990 BTOKZQCOBCAKMZ-UHFFFAOYSA-N 443.526 4.827 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1310001190 OZQPXZIRTNFCBN-GHDARCQNSA-N 447.645 4.904 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](c3cccc(Cl)c3)C3CCCCC3)CC2)cn1 1312285396 GXUVIXOEMITUQC-HSZRJFAPSA-N 437.975 4.760 30 10 IJEE Cc1ccc(C[C@@H]2CCCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2)cc1 1312537239 CFMMJXCOWHJSNX-KHRZNOOSSA-N 432.568 4.616 30 10 IJEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCCC2(C)C)cc1 1315533565 FLCSVCYYMBHYMR-DFBJGRDBSA-N 437.588 4.822 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CCCN1C(=O)OC(C)(C)C 1355588446 BCADUKFTEAYNOB-SANMLTNESA-N 430.504 4.924 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCN1C(=O)OC(C)(C)C 1355632457 PHHSRPLKTNAFER-SANMLTNESA-N 431.536 4.766 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCCN1CC 1358881438 GILRCBGAJWYVDT-FYYLOGMGSA-N 437.632 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H](c1ccsc1)N(CC)CC 1358882602 DDXSCBQUDCHQPI-RXVVDRJESA-N 437.613 4.556 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(F)(F)CC1 1358907202 HHLCJPFLQCQRKG-UHFFFAOYSA-N 429.334 4.808 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1358910223 HYMDMLWWMVBAJX-QHCPKHFHSA-N 448.659 4.933 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358938709 IAYWVZWWWVVWGX-IKGGRYGDSA-N 438.469 4.995 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](CC)C1 1359052102 USQNVTICBUCBLA-MRXNPFEDSA-N 433.419 4.619 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1coc(-c2ccc(C)cc2)n1 1359116068 WSQAVGSNHJBBCJ-UHFFFAOYSA-N 445.571 4.554 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1F 1359137096 FJMFRHPWSOTMHZ-TZIWHRDSSA-N 448.558 4.704 30 10 IJEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1359154753 AMXSWUGZJRHZEN-OAQYLSRUSA-N 440.979 4.632 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1359186577 LAFCLBNZJZDMER-UHFFFAOYSA-N 434.588 4.637 30 10 IJEE C=CC[C@H](Cn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1C(C)(C)C)c1ccccc1 1359195429 MKWJEABUMNBVHE-RLWLMLJZSA-N 438.616 4.710 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCCC)CC1 1359203800 WCGWXILKZMTXAV-NZQKXSOJSA-N 440.588 4.932 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCCN1CC 1359232820 GIYBIMFVCZXSOI-QHCPKHFHSA-N 432.616 4.849 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1359255807 LLEYGNGJSUGWGS-UPVQGACJSA-N 446.624 4.795 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CCC=C(C)C 1359260760 NFYUPQIELCADRB-UHFFFAOYSA-N 437.519 4.694 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)c(C)s1 1359260854 PWCMTJHUSVDJCF-FQEVSTJZSA-N 441.576 4.973 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(OC)CCC(C)CC1 1359268693 ZSVYNTQYKNUYHJ-UHFFFAOYSA-N 425.533 4.627 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2(F)CCC2)C1 1359313362 KVLQDJMWVCJEGJ-GOSISDBHSA-N 449.368 4.771 30 10 IJEE CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1361233361 CZZWBWWLFNUNKT-GOSISDBHSA-N 441.528 4.766 30 10 IJEE C#CCC1(C(=O)N(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)CCCCC1 1435914828 VMCLSYOFOLITRG-LJQANCHMSA-N 448.401 4.939 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn(C(C)C)c1Br 1436641459 PPCKWFGRDIQGSW-UHFFFAOYSA-N 443.139 4.806 30 10 IJEE C=CCc1cc(C(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 1457193775 JCZRKYUDCKYPSJ-SFHVURJKSA-N 446.588 4.589 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 1459315644 QUXCMVOYSGLXPE-DGDHUYAWSA-N 443.503 4.951 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 1460846629 FQQVUUFQZPCZNS-HXUWFJFHSA-N 432.495 4.760 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)nn1)c1ccccc1 1462505314 NHINUJLAYDQQJD-IBGZPJMESA-N 425.330 4.857 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)C[C@H]2C)cc1OC 1468457613 SNNDCWDOSBXVOK-SXAWMYDMSA-N 426.944 4.664 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 1469493046 YYBTXEFYVCWQJB-QGZVFWFLSA-N 437.428 4.992 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)CC(C)C 1475534624 CLCGELXRWOGBRE-UHFFFAOYSA-N 428.451 4.872 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1477593897 PMYADYVNSGXQGW-RDGATRHJSA-N 449.595 4.989 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1478971471 QWULIIXVWKEJMX-VWLOTQADSA-N 443.522 4.921 30 10 IJEE COC(C)(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@](C)(C#N)C1 1503907007 HWMKQEAMCAJEKE-RUZDIDTESA-N 439.604 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC[C@H]1C 1507517911 ROEKGZVNAXAATF-FUMNGEBKSA-N 445.007 4.819 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CCCCS1 1507522219 BMLUULBEFKPHEF-ICSRJNTNSA-N 442.629 4.876 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1CCC(F)(F)CC1 1507666705 FRRZTJGQMBHGDP-UHFFFAOYSA-N 449.505 4.889 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](SC)C(C)(C)C 1507763391 UNGYXBABQHSPJN-HYBUGGRVSA-N 442.629 4.732 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cc(COC(C)(C)C)on2)CC1 1507885625 IKRPQCSFXMMIRR-UHFFFAOYSA-N 435.572 4.685 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1507909304 ZXOUOHYSLIMBQQ-JPYJTQIMSA-N 426.605 4.937 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1507927701 BLUVEHMKQVNBHA-QFIPXVFZSA-N 433.625 4.956 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1508000816 DWBRSDPZMLYSJE-NHCUHLMSSA-N 439.648 4.656 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CC[C@@](C)(CC)O1 1508037745 OMQWLXWIDZCPGJ-FQRUVTKNSA-N 449.599 4.788 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1509296931 FRFVNPUAUVEYLM-LJQANCHMSA-N 448.537 4.595 30 10 IJEE C#CC[C@]1(C(=O)NCCc2ccc(-c3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1517408551 MWRWDMIYFWDCMO-HHHXNRCGSA-N 432.564 4.805 30 10 IJEE C=CCc1ccc(OC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)c(OC)c1 1521158400 LEDKXCZZSYJIQM-UHFFFAOYSA-N 437.805 4.896 30 10 IJEE CCc1c(C(=O)Nc2sc3c(c2C#N)CCCCC3)nnn1-c1cccc(Cl)c1 1521563980 DDAGXPLSKSSGTN-UHFFFAOYSA-N 425.945 4.937 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1)c1ccccc1 1521660742 HZANTECJAQTNBU-DEOSSOPVSA-N 434.584 4.981 30 10 IJEE C=CC[C@@]1(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CCCN1C(=O)OC(C)(C)C 1521754440 JPUZHSYQXGUVHQ-CPJSRVTESA-N 438.572 4.962 30 10 IJEE C=CCN(C(=O)CCc1cnn(C)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1522422826 LVRNNKSCEMXHEV-UHFFFAOYSA-N 429.549 4.757 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)c1ccccc1 1526811922 XPRMZLYFKMLVAZ-FQEVSTJZSA-N 442.506 4.713 30 10 IJEE Cn1cc(CCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c2ccc(F)cc21 1529796807 FMBAOJBGYKBZKY-UHFFFAOYSA-N 427.479 4.741 30 10 IJEE C#CC[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1530735031 LJVXTVXELJPWBS-ZOECDYFQSA-N 440.543 4.888 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C)CCCN1C(=O)OC(C)(C)C 1531353864 FUSWLHLWLWABQR-QHCPKHFHSA-N 428.508 4.604 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)cc1 1532130220 KXRRUNPMJKSASI-HJNYFJLDSA-N 428.573 4.683 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)cc1 1537826562 XFOYSXNIFJGNFA-HNNXBMFYSA-N 436.430 4.981 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cc(C(CC)CC)no1 1538970130 ACQFKCHGARHEJR-IRXDYDNUSA-N 439.535 4.955 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1539060126 ZKZYVUUMLDQLAT-QFIPXVFZSA-N 442.629 4.734 30 10 IJEE COc1ccc([C@@H](NC(=O)c2ccc(C#N)cc2OC)c2ccccc2Cl)c(OC)c1 1539391096 DINGAAJMMHJVFW-QHCPKHFHSA-N 436.895 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC1CCN(CC)CC1 1539567403 WIRVCBIYUQJWPY-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCO[C@H]1CCOC1 1539656587 YRQTUFTWADNUIM-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1539727948 ALCCDKHORLTVHF-IEZWGBDMSA-N 448.409 4.643 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCCC[C@H](SCC)C1 1539743674 ONHOVOPZPMBSBG-IBGZPJMESA-N 430.618 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2cncn2)CC1 1539906990 VJMCZISSCLYZLK-UHFFFAOYSA-N 439.995 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1539924599 VGJCLEFMIPKVGY-HSZRJFAPSA-N 431.584 4.662 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1540047005 DCJHNQKRHMYOTE-AQNXPRMDSA-N 443.611 4.936 30 10 IJEE C=CCC1(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CCCC1 1540085414 WTCCRGIWHKXHRY-NRFANRHFSA-N 425.573 4.856 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC[C@H]1CCO[C@H](C)C1 1540122498 VRCUKESTEWKDAS-RTWAWAEBSA-N 442.567 4.610 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCCN1CCCO[C@@H](C)C1 1540127842 VRQFCZHTXSMLQI-QFIPXVFZSA-N 449.599 4.540 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)s1 1540134490 SUMRJPZCLLOQFL-UHFFFAOYSA-N 442.951 4.774 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccc2)nc2ccccn12 1540439148 LBCSSCHYHUXVRO-QGZVFWFLSA-N 440.931 4.976 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OC(C)C)CC1 1540919247 LENUPILTTVNIKA-UHFFFAOYSA-N 439.629 4.663 30 10 IJEE C=C1CCN(C(=O)Cn2nc(C)c3c(C(F)(F)F)cc(-c4ccccc4OC)nc32)CC1 1542893128 JZGJDMCODTXFLT-UHFFFAOYSA-N 444.457 4.613 30 10 IJEE Cc1ccccc1Nc1nc2sc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)cc2s1 1546286397 DCUCYEPPODSWKX-QGZVFWFLSA-N 439.610 4.716 30 10 IJEE CS[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H](C)CC#N)C(C)(C)C 1555856756 DNYQDTVRYWUXMA-ICSRJNTNSA-N 429.634 4.990 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)c(Br)cc1F 1556843945 DFJNEVUEPZAWQZ-AWEZNQCLSA-N 435.721 4.871 30 10 IJEE C=CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CCCC1 1557506454 MYLGKRVMKZNROH-UHFFFAOYSA-N 442.581 4.813 30 10 IJEE CCN(CCC#N)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 1559578045 HTVSKRUBGRTDOC-UHFFFAOYSA-N 444.988 4.707 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 1562327648 HWLGXFPISLJYQD-UHFFFAOYSA-N 435.568 4.941 30 10 IJEE COC(=O)c1cnc([C@@H](C)NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)s1 1562811996 GGOWZKACVKKZQF-CYBMUJFWSA-N 438.534 4.835 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)N1CCCC[C@H]1C 1563464019 PBPPQZPPENFSMO-HZPDHXFCSA-N 426.374 4.549 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1564036043 MSXMIPZHTHFDEM-JOCHJYFZSA-N 439.556 4.659 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)C1CCOCC1 1564206794 NLTYKASXDPSNIP-YADHBBJMSA-N 430.520 4.504 30 10 IJEE C#C[C@@H](NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc(F)cc1 1564428987 LQERMCOFNWTPIJ-OAQYLSRUSA-N 434.342 4.771 30 10 IJEE C=CCC1(CNC(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)CCCC1 1564747948 NLRMDKRXPPWNKH-SFHVURJKSA-N 432.914 4.954 30 10 IJEE Cc1cc2c(NC(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)n[nH]c2cc1C#N 1583608727 BXBVJEBMHROTIS-UHFFFAOYSA-N 436.541 4.507 30 10 IJEE C#CCN(C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)[C@H]1CCCc2ccccc21 1585188958 IJAVZRDBNDEICI-VWLOTQADSA-N 441.531 4.510 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)cc1 1585263077 UVVOYFGLJSSLJK-NRFANRHFSA-N 426.354 4.992 30 10 IJEE Cc1nc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)nn1-c1c(Cl)cccc1Cl 1585268970 DHOIPFROAQNWQC-SFHVURJKSA-N 426.307 4.562 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CN(C)c1ccccc1)c1ccc2c(c1)OCCO2 1585492806 NIFQKSKNQBXNOH-UHFFFAOYSA-N 444.531 4.692 30 10 IJEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CCCC1 1586219937 CHGJZBZIRWLWAN-UHFFFAOYSA-N 449.551 4.705 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccnc(Oc2ccccc2F)c1 1587657258 QDMHOHXFUWIEAL-KRWDZBQOSA-N 447.539 4.763 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1587812995 GIMFFPDQEDTGOR-QFIPXVFZSA-N 449.002 4.608 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nc(C)cs1 1588266126 LUENCOQDYKJGOQ-KRWDZBQOSA-N 444.004 4.961 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)[C@@H](C)C1 1589570420 VAFRLKRVFWEKBN-ZNNUDVHBSA-N 438.616 4.937 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1593846155 WUFABUJAZCAOBQ-HNNXBMFYSA-N 432.355 4.822 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(COC)CCC2)CC1 1594128180 MYKXTHBKXVPXGF-UHFFFAOYSA-N 430.980 4.874 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1OC)C1CC1 1595026788 RYWVKGKMVQGTTP-APWZRJJASA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)C1CC1 1595061866 BQJOHGQACDZLOV-UHFFFAOYSA-N 442.917 4.620 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H](OC)C(C)(C)C 1595120028 KVUBXHKVJSHGEQ-NRFANRHFSA-N 439.629 4.888 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCc2ccc(Cl)nc2C1)C(C)C 1595165813 MXACUQNKMQZXGR-OAQYLSRUSA-N 443.039 4.711 30 10 IJEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC)Cc1ccc(Cl)s1 1595329969 FKUKXLADIBDBAN-UHFFFAOYSA-N 448.976 4.898 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1595859848 BKBHFPXKSOZMMJ-LEWJYISDSA-N 426.630 4.957 30 10 IJEE CO[C@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1618973763 FANLHLBMGFHAJL-RCZVLFRGSA-N 432.572 4.603 30 10 IJEE C=CCNc1ncc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)s1 1625458194 AFKULSPMFXENBA-UHFFFAOYSA-N 442.585 4.567 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cc1C 1625644372 FLQBCPGXYWOCKN-QFIPXVFZSA-N 433.508 4.542 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC2CC=CC2)c1 1625749886 JKHDURVVKKHSEE-UHFFFAOYSA-N 444.984 4.807 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 1626836879 RYTVSNKTIZDKCW-RBUKOAKNSA-N 444.963 4.783 30 10 IJEE C#CCN(C(=O)Nc1cc(C)nc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1627702980 XQZGKKHPTOMEFS-INIZCTEOSA-N 434.721 4.797 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC/C=C\c1ccc(Br)cc1 1628326042 JWOMPAHHGUNCFR-SREVYHEPSA-N 438.325 4.643 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C=CCC1 1628774117 QTAPIRZRSHQRGZ-SBUREZEXSA-N 436.939 4.871 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)c1nc2ccc(Br)cn2c1F 1628775094 AMUFZPOIWPAHBE-LLVKDONJSA-N 433.306 4.740 30 10 IJEE C=CCC[C@@H](NC(=O)NCCC(=O)N1CCCCCC1)c1ccc(C(F)(F)F)cc1 1630459986 CPEHRYJIGPXJIV-LJQANCHMSA-N 425.495 4.805 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1 1636193979 NNZWWMPZZBJOOM-UHFFFAOYSA-N 436.552 4.517 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C1CC1)[C@H](C)C#N 1640027932 ZRFMJGAZRIDTCK-CJAUYULYSA-N 443.547 4.763 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccccc3NCCc3ccc(Cl)cc3)CC2)cc1 1642565157 DNLFHXLBISCSMI-UHFFFAOYSA-N 444.966 4.829 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)CCCCC)nc2sc3c(c2c1=O)CCCC3 1651637581 GRQRTFXHYNDWNT-HNNXBMFYSA-N 433.643 4.700 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCN(C3CCC(C(C)C)CC3)CC2)ccc1Cl 1653525579 COAJLVLVJFNIAY-UHFFFAOYSA-N 445.051 4.728 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](c2cccc(Br)c2)C1 1653649150 MZUXSWDIZRMOHC-FUHWJXTLSA-N 433.415 4.903 30 10 IJEE C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(Br)cc2Br)C1 1654177636 GMAKKDJNDPCKFD-STQMWFEESA-N 430.184 4.827 30 10 IJEE C=CCOc1ccc(CNc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC 1656062084 VAHRBFZLDJPQRK-UHFFFAOYSA-N 442.560 4.641 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCC(=O)Cc1ccccc1Cl 1656918459 FSHNUPSLFGCDON-UHFFFAOYSA-N 443.522 4.927 30 10 IJEE C[C@H](NC(=O)CN[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 1658538495 DRNHDLKEFMKQAA-GTNSWQLSSA-N 438.343 4.795 30 10 IJEE CCc1csc(CC2CCN([C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)n1 1659204718 CDLVUVGXNMJWEH-FQEVSTJZSA-N 438.641 4.912 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(Br)c(Cl)cc1C 1660944452 LMWKZQTZPVMWHM-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE C=CCOc1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 1662441211 ZDDMLFUGDJRIBB-UHFFFAOYSA-N 436.249 4.834 30 10 IJEE C[C@@H](NC(=O)Nc1ccnc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 1663858222 DZOQJSSFIWBTNA-LLVKDONJSA-N 428.315 4.722 30 10 IJEE N#Cc1cccc(NC(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 1667574177 DCRGBZQPJCVQCT-UHFFFAOYSA-N 440.547 4.514 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc2c(s1)CCC[C@H]2C(=O)OCC 1670477764 GEFHELHXGDRHGH-QGZVFWFLSA-N 445.589 4.514 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(CCOC)[C@@H](CCC)C1)c1ccc(C(F)(F)F)cc1 1670826900 PREMGKFPTDTKIK-LEWJYISDSA-N 441.538 4.855 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1)c1ccc(F)c(F)c1 1671852345 WESRSIXRELYNLT-GUYCJALGSA-N 426.389 4.590 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(-c2c(F)cccc2F)s1 1672323818 TWFFNHMEHGKNLB-UHFFFAOYSA-N 432.500 4.871 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3nc(SCCCCC)sc3c2)C1=O 1674873980 QNACZHRLKCUTOP-KRWDZBQOSA-N 432.615 4.829 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 1678356387 UGQISRKEOALINU-NRFANRHFSA-N 429.314 4.677 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](C)Oc1ccc(Br)cc1)c1ccc(Cl)cc1F 1679357508 STYCURHDWURUNZ-KPZWWZAWSA-N 439.712 4.683 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cccc(SC(F)(F)F)c3)CC2)c1 1679714685 CZLJGYLFLHMGRL-UHFFFAOYSA-N 434.487 4.956 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cc2ccccc2o1)C1CCN(C(=O)OC(C)(C)C)CC1 1680124448 JIEDXZGCIDMTDD-KRWDZBQOSA-N 425.529 4.538 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 1681778904 HRFGUTAVACSEHX-BFUOFWGJSA-N 445.293 4.628 30 10 IJEE C#C[C@@H](NC(=O)N(CC(=C)C)Cc1cnn(C(C)C)c1)c1ccc(Br)cc1 1682356722 MFBOHGYGZANFDN-HXUWFJFHSA-N 429.362 4.689 30 10 IJEE C=CCC1(CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCC1 1682500984 PIQIQJWRBRYOQK-RYUDHWBXSA-N 434.371 4.935 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 1684893695 GBHLKEWCLVBADI-RTWAWAEBSA-N 445.485 4.986 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCSCC(C)C 1689839304 FSYIFROYGDRMFG-AWEZNQCLSA-N 439.398 4.694 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1689876650 GLFDIYSVODOYTI-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1689910499 HXFSHRFFIYXRQM-RTWAWAEBSA-N 439.629 4.671 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCC[C@@H](C)C1 1690088326 ISRCADDRXFOAFE-UXHICEINSA-N 449.574 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690243318 JJFBLKRWCJNHBG-RXVVDRJESA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1690271118 DPAMDUHIXQZJCF-RUZDIDTESA-N 438.572 4.685 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)(C)C)CC1 1690276242 SIFVDXRUJVMTLW-UHFFFAOYSA-N 432.616 4.849 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@H]1C 1690302821 MFNXAGAKJWXISP-LSDHHAIUSA-N 437.357 4.674 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2cccnc2)CC1 1690382349 LFWPEYWQDVFAES-UHFFFAOYSA-N 431.584 4.949 30 10 IJEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)C1 1693664354 FUISMLOPJYQWEW-RBUKOAKNSA-N 441.023 4.849 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCOCC1 1694181776 HZDPHOMMZZWJCX-SFHVURJKSA-N 427.618 4.601 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)N2CCC(C)CC2)cc1 1694506071 APZGTRDWMNVFCP-LVXARBLLSA-N 434.632 4.758 30 10 IJEE CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1696134019 ADZLQPIFABAQJS-VWLOTQADSA-N 437.588 4.596 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705544778 DGHNHMTXTPDRLA-AQNXPRMDSA-N 439.673 4.569 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H](c1cccs1)N(C)C 1705619344 NSYMAUSECYFFPP-WIYYLYMNSA-N 439.604 4.935 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1705720248 HUSBYNHGAOFHFT-KRWDZBQOSA-N 429.996 4.843 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705722169 XWQUTIKRNCDJOM-WMZOPIPTSA-N 445.995 4.914 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC2CCN(CCC)CC2)CC1 1705772082 HRCXSOQULDJLBS-UHFFFAOYSA-N 437.632 4.698 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1C 1705824559 TXIVVCKHJBIBAO-IFMALSPDSA-N 426.605 4.987 30 10 IJEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cscc1C(F)(F)F 1705844267 YUTXOSBMGFMFGI-QGZVFWFLSA-N 436.459 4.541 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1705863602 YKAFFQBZIRJZCV-UHFFFAOYSA-N 444.583 4.605 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCc2ccc(O)cc2C1)C(C)C 1705866825 ASUHREDGVZWJTD-RUZDIDTESA-N 449.643 4.903 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@H](C)C1 1705879539 CQABZOOGISRZOL-RTBURBONSA-N 426.586 4.574 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705892174 HQAOBLAUWKFRHN-QHCPKHFHSA-N 437.632 4.752 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCC1 1706255285 BQFNYMFPDRUJMV-URXFXBBRSA-N 441.023 4.849 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCC=CO1 1706743248 GJHVILYNGIBYAW-UYAOXDASSA-N 433.512 4.548 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@H](CC)C1 1722310767 OOYVGQPGLUNCFE-CMKODMSKSA-N 426.630 4.939 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC(C)(C)CC=C 1722393337 ADGGTKRKFGLPQW-UHFFFAOYSA-N 425.374 4.773 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCOC(F)(F)F 1722418436 QDBDNZQOSIZDIB-UHFFFAOYSA-N 436.409 4.552 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCCN(C)c2ccccc2)CC1 1722582521 LCSAKKHCSMJBNU-UHFFFAOYSA-N 430.600 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1722591372 HNFPDNPLMKUZIB-XMMPIXPASA-N 445.611 4.704 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCO)Cc1ccccc1 1722593146 IZYDOVKBTKQNIA-FGZHOGPDSA-N 440.632 4.798 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722620245 DGDLTGRAUVBGJW-QFIPXVFZSA-N 434.588 4.787 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722655359 DAMZUIDIJUAALP-IDISGSTGSA-N 446.643 4.805 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCC[C@H]1C 1722667655 HHIKXBVZWAXESZ-VGOFRKELSA-N 445.405 4.746 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(C)cc2)C1 1722722617 QHMIYCZNRGPKGG-DNVJHFABSA-N 438.616 4.529 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC#N 1723235074 AGGNEXXSUQGORC-SUMDDJOVSA-N 446.393 4.507 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C 1728427500 HVQMBHWTUUFAPE-HNNXBMFYSA-N 428.993 4.508 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1740708992 HSCMNDCOBCHWTC-GOSISDBHSA-N 436.629 4.658 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1ccccn1 1740723744 VKOIDEGWHCRZCA-UHFFFAOYSA-N 444.029 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1740764857 KODFVFHKVDVDHJ-NVXWUHKLSA-N 429.531 4.893 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC1(c2ccc(F)cc2)CC1 1740776291 TZTWAVUGYOPWQG-UHFFFAOYSA-N 425.577 4.907 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)CCCS2)CC1 1740835025 BKTPZTJWXGBLNX-LJQANCHMSA-N 436.423 4.724 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740843872 RXJFZEPQTOAEMZ-HLIPFELVSA-N 432.996 4.881 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@H]1C(C)C 1740915914 XKCPOLVTWJLKJI-REWPJTCUSA-N 435.572 4.536 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1740927532 IZONDWFSNBHENB-UHFFFAOYSA-N 434.544 4.603 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1741001189 NMIVKATXJVMLEJ-IBGZPJMESA-N 436.984 4.835 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1748722147 SWNBMBDERLODFR-JOCHJYFZSA-N 426.992 4.721 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccsc1)N(CC)CC 1748774176 VNFBORQMSMNIGB-FQEVSTJZSA-N 428.005 4.813 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(CN(C)CC)c1 1748775299 IHOBMQPTUVHEJK-UHFFFAOYSA-N 447.652 4.845 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCCOCC(C)C 1749055728 NVSTTWICMRPVKI-AREMUKBSSA-N 431.584 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1Br 1749129442 DHNAUXBIYKVOIU-NQIIRXRSSA-N 447.421 4.857 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)CC 1749134953 AKSQHTHFFMNMIZ-FOIQADDNSA-N 439.387 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCC[C@H](C)C1 1749146632 KGCCMZZGEBKCEA-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1ccc(F)cn1 1749150361 UULRKHAIMUAIFX-UHFFFAOYSA-N 430.325 4.692 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccccc1Br 1749209208 QVKWMPYAOXLKJR-OAHLLOKOSA-N 435.276 4.804 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749354571 UHWAUDQDWNIFSY-FGZHOGPDSA-N 437.632 4.917 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](Cc1ccccc1)OC 1749473748 QGHMWFLBHWRGSJ-MRXNPFEDSA-N 447.402 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H](C)c1nccs1 1749554784 ZNSBTIMPXQTQFP-QGZVFWFLSA-N 436.610 4.778 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCn1c(C)nc2ccccc21 1749586336 QJTLTHPRPRPKRI-UHFFFAOYSA-N 432.572 4.762 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCC1CC(OC(C)(C)C)C1 1760125523 ZTZDAPKZAVZORL-VRKFHHGPSA-N 438.616 4.861 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1C1CCC1 1760273901 BYMFQBDLSWSWHL-XLIONFOSSA-N 428.577 4.693 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OCCC)CC1 1760310660 BWMQPEAUKLSXSU-QGZVFWFLSA-N 439.423 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(C)(C)C 1760313385 NGCWDMQZTSDNGW-TZIWHRDSSA-N 439.604 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccs1 1760317446 GDFSBAOXYVPRKB-VQIMIIECSA-N 429.977 4.673 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1cccc(F)c1)C(C)C 1760325996 UUKQMRRTPYUYDS-WIOPSUGQSA-N 449.574 4.799 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC(F)(F)C1 1760368492 DOBZEFKPURPREM-UHFFFAOYSA-N 431.712 4.942 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCOc2ccc(F)c(Cl)c2)CC1 1760388740 ZKGXPEXRAQCXJM-UHFFFAOYSA-N 427.911 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760415880 NFPJPJADCQCZFK-GBESFXJTSA-N 431.625 4.887 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccoc1)C1CC1 1760470288 ZRRPQADBYYEEBI-UHFFFAOYSA-N 429.318 4.512 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 1760529762 KPHUKVOGZBHBKB-HSZRJFAPSA-N 447.583 4.513 30 10 IJEE CCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCCCC2)nc1 1764842706 FFEAQRLTEZXSET-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@@H]2CC)o1 1765621699 ANQKKEVCXBBOFH-UWJYYQICSA-N 448.571 4.651 30 10 IJEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2cccs2)cn1 1768653348 GSSHQPYDXPGLAR-INIZCTEOSA-N 430.537 4.528 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1cccc(C(=O)O)c1 1772736486 MKRFHHPIQBYTLD-NIHZCWFLSA-N 431.311 4.771 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)COc1ccc(C)cc1 1861800464 JBGHLWGKMQAMEM-JOCHJYFZSA-N 436.662 4.869 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862408060 CWCNLCWLZLWISF-BXKMTCNYSA-N 448.563 4.763 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862441771 COHDSNMAWORRAU-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC)c(OC)c1 1862450536 KAVLGJQTYQUHIY-XCLFUZPHSA-N 429.900 4.734 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 1862477440 XDNNBMGIKSMYKB-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862495458 YUTXSTIOXGYWSP-XMMPIXPASA-N 447.531 4.986 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2cccc(Cl)c2)ccc1F 1862502740 IABYLHKQKFLUTO-NRFANRHFSA-N 444.934 4.708 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862535592 GKIPWGARTHWRIX-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591064 CMCCTHGMGSNKSC-NRFANRHFSA-N 437.854 4.963 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2)C1=O 1862767342 YSKNMOPOZQVEBT-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccccc2Cl)C1=O 1863778773 SYIIPIMYZDMWGB-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C#N)nnn2-c2cccc(C(C)(C)C)c2)cc1 1870146010 ZXEVFIAMTAAFTI-KRWDZBQOSA-N 431.540 4.966 30 10 IJEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc(Cl)cc1Cl 1870156804 DICREJCSTFJBCB-UHFFFAOYSA-N 444.322 4.806 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CSc1ccccn1 1870250199 NCLYKRHMZYIHPE-UHFFFAOYSA-N 449.576 4.610 30 10 IJEE CCCCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CSCCO 1870266924 PLYRISQTHOHWCD-UHFFFAOYSA-N 441.634 4.547 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CSc1nnnn1C 1870271505 NKXFUAOGMZGDSL-UHFFFAOYSA-N 441.601 4.604 30 10 IJEE CCCCn1cc(OCCOC(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870299028 FXAHZRAODJKKFP-UHFFFAOYSA-N 443.613 4.936 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1Cc1cccnc1 1870440670 PFUUDMZQYFANQJ-UHFFFAOYSA-N 435.955 4.698 30 10 IJEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1870806310 CBBOFQWDUOVHAI-UHFFFAOYSA-N 433.483 4.854 30 10 IJEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870810290 WEMWRJQLSSNARQ-UHFFFAOYSA-N 433.508 4.739 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(Br)c1)C3=O 1871350878 YDMLKOLHFPWUHF-NDENLUEZSA-N 444.325 4.644 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)cc1 1871436055 LGYLPTVUWJXFMA-ACMDDDSKSA-N 440.455 4.589 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871760721 TYILRNBWIIWNCW-OAQYLSRUSA-N 446.638 4.549 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)C1CC1 1872164411 BRNZWJWUXJSUAN-QFIPXVFZSA-N 436.618 4.733 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872314967 IEZPKLPNYZYBHW-KKSFZXQISA-N 434.989 4.879 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(C(=O)O)[nH]c2ccc(C)cc12 1873500774 CZKYLWPRODYNKK-BHGWPJFGSA-N 437.500 4.642 30 10 IJEE Cc1sc(C2=C(N)N(c3ccc(OC(F)(F)F)cc3)CC2=O)nc1-c1ccc(F)cc1 1873529910 QMHJWNBUOPZLMZ-UHFFFAOYSA-N 449.429 4.873 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873635914 BTCICIIXSGRULU-UHFFFAOYSA-N 449.461 4.769 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)/C=C/c1ccc(C(C)C)cc1 1873675550 CULANJXNUHGVLY-SDNWHVSQSA-N 443.572 4.989 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(CC)cc1 1874273336 FNUFNTARGCZXAY-BBMHEYIBSA-N 425.602 4.505 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2[C@H]2CCCO2)c1 1874453431 JPPCAOXTWFHYLZ-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874478488 CLEFOAQUJVYDJG-OEAKJJBVSA-N 434.009 4.697 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccccc2C)o1 1874487327 AVULWOAYOJDBGG-YDZHTSKRSA-N 426.542 4.729 30 10 IJEE C=C(I)COc1c(F)cc(Br)cc1CNCC(C)C 1895094579 DUDPEIMHYZFQQU-UHFFFAOYSA-N 442.110 4.661 30 10 IJEE CCN[C@H](C#Cc1nc(C)cs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1900803487 BNNQYTNKIITRGN-NRFANRHFSA-N 427.614 4.999 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912174992 HFKARIAYVQNASY-MRUHUIDDSA-N 436.557 4.852 30 10 IJEE C=C(Cl)C[C@@H](N)[C@H](O)c1cc(Br)cc(Br)c1OCCC 1921887718 DTGVASMLMXOQBT-CHWSQXEVSA-N 427.564 4.504 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C 1922120346 SJHRKMDHQAVONN-WIOPSUGQSA-N 432.605 4.544 30 10 IJEE CCOc1ccc(NC(=O)c2ccc(NC(=O)C=CC(=O)c3ccc(F)cc3)cc2)cc1 2040469554 CEPDQFVRPNBMJB-UHFFFAOYSA-N 432.451 4.854 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)CC1CCN(C(=O)OC(C)(C)C)CC1 2045604048 RJAOJZQMGLLDSO-DNQXCXABSA-N 446.632 4.526 30 10 IJEE CC(C)(C)OC(=O)c1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1N 2079165971 VTKJVYPTDCBGDU-UHFFFAOYSA-N 427.320 4.646 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(CCOC)CCN(C(=O)OC(C)(C)C)C1 2082290147 ZHTIUZPVYVWDMX-ZEQKJWHPSA-N 446.632 4.791 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100158060 WSJJGJPUEBMFNP-ZEQRLZLVSA-N 435.417 4.802 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CCC1(NC(=O)OC(C)(C)C)CCCCC1 2124445661 UJCHUUVOCBYCHM-UHFFFAOYSA-N 429.399 4.917 30 10 IJEE CC1(C)CC[C@H](Nc2ncc(Br)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2162313882 ZDLOMGYSYMCOEP-ZBFHGGJFSA-N 437.382 4.847 30 10 IJEE C[C@@H](C1CC1)N(CCC#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2181045689 AMWNPVJRTNHQPC-ZDUSSCGKSA-N 436.350 4.950 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181054004 RRBBWKZOOJDBOO-UONOGXRCSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 2184353760 IKCGEPAHDDDERO-INIZCTEOSA-N 436.350 4.950 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OC)c1Br 2207377821 KDFIOPYBPQNXTG-QFBILLFUSA-N 439.394 4.805 30 10 IJEE C=CCC[C@@](C)(O)[C@@H](N)c1sc(Br)c(Br)c1Br 2216401027 KFTMRCSAXSUDSA-GXSJLCMTSA-N 448.018 4.753 30 10 IJEE C=C([C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221681707 NMDQDZBPBSTXDA-IRXDYDNUSA-N 428.443 4.679 30 10 IJEE Cc1ccc(C(=O)C#Cc2ccccc2Br)cc1I 2227464872 WAYHYGWMAZRZMO-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE N[C@H](C#Cc1cccc(Cl)c1)c1cc(Br)ccc1I 2230993029 PHECZCDRDYNIIJ-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235733792 UYEIEIWJPUPHDU-WMZOPIPTSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@@H](O)C#Cc1ccccc1Br 2235740133 MUVDIADYEQYMCT-QUCCMNQESA-N 436.390 4.883 30 10 IJEE Cc1ccc(I)c(C(=O)[C@H](C#N)c2cccc(Br)c2)c1 2240994174 UVTIJACOEGBLNT-CQSZACIVSA-N 440.078 4.852 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCC1 2247823310 NKHQKEMYDMPKQP-UHFFFAOYSA-N 425.403 4.798 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CC2(CC(F)C2)C1 2251275933 NLTAMZAPQZICGW-MVPSRNBRSA-N 432.580 4.913 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2255856056 WAZOXFSICNKSMK-XSDIEEQYSA-N 427.394 4.701 30 10 IJEE C=C([C@@H](NCCC)C1(O)CCC(C)(NC(=O)OCc2ccccc2)CC1)[Si](C)(C)C 2287027149 RLZJZTUYVTXYHF-DNFKCEGXSA-N 432.681 4.778 30 10 IJEE C=CC[C@@]1(COc2nc(OC)ccc2Br)CCCCN1C(=O)OC(C)(C)C 2287687979 IWQSIEKKYNDFFZ-FQEVSTJZSA-N 441.366 4.967 30 10 IJEE CC(C)n1ncc([C@H](O)C#Cc2ccc(Br)cc2)c1NC(=O)OC(C)(C)C 2296269513 PEYIWBYDNJJTJQ-QGZVFWFLSA-N 434.334 4.659 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](O)(C#Cc3ccc(Br)cc3)C[C@@H]21 2296282363 VYGPQRGFGFHGGK-LZNRXBQRSA-N 434.374 4.731 30 10 IJEE COC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)Nc1cc(C)ccc1C 2297650108 IFAMMEIOXMLBNN-PKOBYXMFSA-N 431.458 4.531 30 10 IJEE CCCN[C@@H](C#Cc1cccs1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2300795861 CGXGKESRPQWUJD-AJSBUHFISA-N 442.625 4.966 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(Cl)cc1 2320997925 BETRZQVZAIDGCK-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE Cc1ccc(COc2cccc(C=Nn3c(S)nnc3CCOc3ccccc3)c2)cc1 2322024017 BIYSKUJSCXFIEJ-UHFFFAOYSA-N 444.560 4.958 30 10 IJEE CCCN1COc2c(cc3c(c2C)OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)C1 2322346868 DXYYJIDJUXBNFA-UHFFFAOYSA-N 427.884 4.693 30 10 IJEE COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccccc1 2322475013 LBPKAZJNHXGMSU-UHFFFAOYSA-N 432.432 4.517 30 10 IJEE Cc1cc(O)c(CN(C)C2CCN(C)CC2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324035237 NLNLQLKQJSEUDN-UHFFFAOYSA-N 444.934 4.635 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1cc(OC)ccc1OC)C2=O)C(=O)O 2324782026 WZJRHQVXZUOZLP-HXUWFJFHSA-N 426.465 4.651 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2325423944 VUKBQXLLSOHSPN-OAHLLOKOSA-N 446.459 4.569 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1cccc(Br)c1 2325610199 VPNSFBGOHGHCHR-UHFFFAOYSA-N 427.067 4.572 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2327566043 YEUKEAUKBYDBJL-UHFFFAOYSA-N 429.889 4.579 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccn2C)cc1 2328568176 ZXIJVQPTAIBYGE-UHFFFAOYSA-N 445.592 4.823 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328568697 JEDJAVWBCSTSGH-UHFFFAOYSA-N 425.514 4.560 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccncc1 2328673031 FYTQSXVAYLRWHG-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(O)c(OCC)c1 2328904136 SUAZQMAHWACVBL-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1 2331164151 HUUSUCVCOIFCGD-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1cc(N)c(C#N)cc1Sc1cc(I)ccc1Br 2338409837 ZBRPKNVDBHDZRT-UHFFFAOYSA-N 445.123 4.967 30 10 IJEE CC1(C)C[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@H]1OCc1ccccc1 2339307333 CKBMQGOSUIBMKO-XZOQPEGZSA-N 432.373 4.653 30 10 IJEE CN[C@H](C#C[C@@H]1CC1(C)C)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2365093809 QGYYZADJKLSFGS-QRQLOZEOSA-N 435.406 4.522 30 10 IJEE COCc1ccc(CN[C@@H](C#N)c2scc(Br)c2Br)s1 2368020161 QYBBPIYBMHAGFO-NSHDSACASA-N 436.194 4.835 30 10 IJEE C[C@H]1C[C@H](OCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C[C@@H](C)S1 2377327364 RKCUCAMIZDEJGJ-MIFYACCESA-N 441.240 4.938 30 10 IJEE CO[C@@H]1C[C@](C#N)(Cc2ccc(I)c(Br)c2)C12CCC2 2377399888 YDWSPOIMXCHJFN-CABCVRRESA-N 446.126 4.695 30 10 IJEE Clc1ccc(-c2nnc(CSc3n[nH]c(N/N=C/c4ccccc4Cl)n3)o2)cc1 20833467 ZCBIYMYVTDMZMN-ZVBGSRNCSA-N 446.323 4.900 30 10 IJEE O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 33349165 OZSLOFJBZABULA-FYJGNVAPSA-N 448.475 4.995 30 10 IJEE CCc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1 46127267 OKKZBIRHWUSPRT-UHFFFAOYSA-N 437.341 4.805 30 10 IJEE COc1cc(OC)cc(C(=O)/N=C(\NCc2cccnc2)Nc2ccc(C(C)C)cc2)c1 46127746 VTXWVJPNGZJXAS-UHFFFAOYSA-N 432.524 4.620 30 10 IJEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1ccc(OCC)cc1 59265813 PGQCMSWBEHJHDY-UHFFFAOYSA-N 437.569 4.596 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 63310169 YRDBGLCXTYMBBQ-UHFFFAOYSA-N 434.823 4.644 30 10 IJEE CCOc1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 103099883 LRPZNFFPRPXURC-AGGMBTAESA-N 437.879 4.954 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(F)cc2)cc1 103112712 GURUIONECLTQPU-HQMFNGAOSA-N 438.480 4.534 30 10 IJEE C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 108985704 RAPOAACJERSVOL-HNNXBMFYSA-N 435.915 4.603 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936299 GNNYXHAIXVBOTO-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 169962741 UFEODSIAWJAYOO-DEOSSOPVSA-N 429.472 4.508 30 10 IJEE CCCOc1ccc(C2=C(N3C[C@@H](C)C[C@@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170091121 INOHIJQYCXTHIF-KDURUIRLSA-N 443.547 4.609 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccncc1 170209542 OTZXKTQSNTUJJT-HXUWFJFHSA-N 440.927 4.963 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170234277 JJFHEFTUMNRJEE-NRFANRHFSA-N 432.407 4.512 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccc1F 170247430 UGUXXRFUSRHSSL-JOCHJYFZSA-N 441.499 4.616 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 170265002 VINHFFIDRFVFOZ-HSZRJFAPSA-N 432.520 4.734 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268679 FGWWYYZUKHXEIT-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)c1 170289303 NOKONZYSTHZSPS-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OCC)c2)c1 170363338 WOYOUWWXKPKBRY-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 170474216 GEMQJNXXEPYXFM-JOCHJYFZSA-N 425.500 4.776 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3)cc2CNC2CCN(c3ccc(C#N)cn3)CC2)cc1 237772545 YHPSZZVJKIBEMO-UHFFFAOYSA-N 448.574 4.873 30 10 IJEE CCN1/C(=C2\SC(=Nc3ncn[nH]3)N(C3CCCCC3)C2=O)Sc2ccccc21 254623734 HWTNYVDBBAHUCP-VISSZMAVSA-N 426.571 4.502 30 10 IJEE N#Cc1ccnc(Nc2cc(I)ccc2Br)c1Cl 310696350 VGQNZHZRLRTGDM-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 499616713 NMOWFRGJMAMCQQ-UHFFFAOYSA-N 437.887 4.535 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 508912177 DZPDAUNZRDQFEM-PNLZDCPESA-N 440.494 4.849 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)cc2)c1 526522946 UIMLJKMJUMAELG-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCOc1cc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526605737 FBTABODIESVXNK-XMMPIXPASA-N 442.471 4.728 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 568536994 ZNJYNOPUUQWDJW-QGZVFWFLSA-N 428.886 4.646 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)cc1OC 586172932 CLHFEFRLBBXKDO-GOSISDBHSA-N 436.533 4.528 30 10 IJEE CCCCCCCCC[S@@](=O)CC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 586344634 BAMDURNGQZTBFW-GDLZYMKVSA-N 434.627 4.952 30 10 IJEE CC1(C)OB(c2cnc(-c3cccc(C(F)(F)F)c3)c(Br)c2)OC1(C)C 607717977 VIBCRYIXBAHZJN-UHFFFAOYSA-N 428.057 4.829 30 10 IJEE CCCOc1cc(NC(=O)NCc2ccc(C#N)cc2F)c([N+](=O)[O-])cc1OCCC 609252662 XXFPPPFNGTWYAA-UHFFFAOYSA-N 430.436 4.505 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 619741849 ZQAUNDIJKKOGIM-QGZVFWFLSA-N 430.468 4.565 30 10 IJEE C=C(C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(F)(F)F 686829057 PJYFSFUCBLIYBY-UHFFFAOYSA-N 426.479 4.624 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nnc(CN2CCCC2)n1-c1ccccc1 735231064 OOEMPYUMBLPLIH-UHFFFAOYSA-N 439.972 4.711 30 10 IJEE C=CCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1Cl 736577216 CSIOMYRKCHFFDM-UHFFFAOYSA-N 436.961 4.578 30 10 IJEE COC[C@@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 752857073 PIYGFPCGMFVWLG-PAPYEOQZSA-N 430.364 4.722 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN(CCc2nccs2)C(C)C)c1=S 753984225 QQJPTJCTVWYPSP-UHFFFAOYSA-N 429.615 4.643 30 10 IJEE COc1ccc(-c2nn(Cc3cc(Cl)ccc3OCC#N)c(=O)c3ccccc23)cc1 768298676 DWHZNKBJVMXPMI-UHFFFAOYSA-N 431.879 4.676 30 10 IJEE Cc1cccc2nc([C@H](C#N)C(=O)C3C[C@@H]4CCC[C@H](C3)C4NC(=O)OC(C)(C)C)[nH]c12 797042404 IKFCCXMPODLJJR-XWMDDUBWSA-N 436.556 4.767 30 10 IJEE CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CC)C1=O 799220597 FJGKDNLXXXZIKE-FQEVSTJZSA-N 425.554 4.764 30 10 IJEE CCCCCSc1nc2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2s1 799836752 ASXZBDGUTYGPSU-UHFFFAOYSA-N 444.626 4.963 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)cc1 1084118426 DFILCXFOLMAODE-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@@H](OC)C2(CC)CC)nnc1-c1ccc(Cl)cc1 1127454839 UEIBDBBLCFMOMY-QZTJIDSGSA-N 449.020 4.587 30 10 IJEE C#CC[C@@]1(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1129324140 DAFWVBRBFXCWHW-CVDCTZTESA-N 449.016 4.826 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)c1ccccc1 1149768734 UHCHGCUMZOZPIG-APWZRJJASA-N 429.358 4.566 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 1159777305 CHAMENNZNDYTJR-HXUWFJFHSA-N 434.367 4.865 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(Cc2nc(C3CCCC3)no2)CC1 1174826612 BEKWKIGGJNRYIA-GOSISDBHSA-N 442.629 4.647 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F 1175944486 HQFPPESHVXKARL-UGKGYDQZSA-N 440.421 4.615 30 10 IJEE C[C@@H](Cc1c(Cl)cccc1Cl)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1188757779 GDCSZPVEOKDWTF-JTQLQIEISA-N 437.270 4.793 30 10 IJEE C#C[C@H](NC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1252478838 GGDIIQNYMIIIMZ-RDPSFJRHSA-N 444.934 4.752 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)cc1 1273521553 FXQCMPYFWRLKMY-UHFFFAOYSA-N 447.332 4.921 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C 1286333873 COFYDHBJEARPTB-AQNXPRMDSA-N 429.609 4.778 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccsc1)N(CC)CC 1286368630 WXSZMUJYMMPOCC-HXUWFJFHSA-N 428.005 4.813 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286498311 DYYDRCQWZMDUHE-PGRDOPGGSA-N 438.641 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(C)(F)F 1286573318 IZXJSFZNEVOUHI-UHFFFAOYSA-N 444.530 4.513 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CCCCC2)C1 1286623022 UWPKAAZFSLXHGX-UHFFFAOYSA-N 438.801 4.959 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn2ccsc2n1 1286681592 PNUVRGFIPHAYON-UHFFFAOYSA-N 441.992 4.934 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](c1cccs1)N(C)C 1286752469 ZXPCMMTXKQNLMU-RTBURBONSA-N 443.642 4.748 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1286764314 LQMFEVISWJBHDA-SIKLNZKXSA-N 437.588 4.943 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1287358430 CMNIXWKOPJEAPM-NHCUHLMSSA-N 436.648 4.741 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)c2c(C)noc2C)cc1 1289860643 FVFXFHOOHLPOMC-DLBZAZTESA-N 438.601 4.883 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1300348031 HLWGJPYQDGLYGM-DNVCBOLYSA-N 432.446 4.651 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C[C@H](C)CC 1300411534 SSXMXAHCDBOPQJ-LJQANCHMSA-N 431.625 4.678 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(C)CCCS1 1300441258 ILOMBPIFIVUPLP-SFHVURJKSA-N 439.810 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)CN1CCCCC1 1300606757 SUVDTKKBVDEYJW-WOJBJXKFSA-N 439.673 4.713 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H]2CSC)CC1 1300713010 DKFOXTQHLZDHOH-NFOQDIRWSA-N 439.629 4.744 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1ccccc1C 1300839460 HVEDQDOZCKOSMG-GOSISDBHSA-N 426.362 4.842 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C 1300895713 BBUWGCGXLRCELY-YOEHRIQHSA-N 437.382 4.549 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2CCC(OC)CC2)CC1 1301072419 HZVDNULSAGAQSZ-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN2CCCC[C@H]2C1 1301159839 HJLRYQHOGZQRRI-QFIPXVFZSA-N 437.632 4.696 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(C)C)CC1 1301176229 SZVYMYHZPVFEHI-UHFFFAOYSA-N 432.616 4.936 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1301190075 MFWKQAGYFRDCII-NRFANRHFSA-N 441.576 4.707 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301240938 IRKFXSMAOYQCBI-MRXNPFEDSA-N 428.886 4.970 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)CN(C)C 1301376168 XPIHAGRNHVBXNU-UHFFFAOYSA-N 438.439 4.535 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccnc(Oc2ccccc2F)c1 1301383941 KWOQZYBHTZVWKX-UHFFFAOYSA-N 442.498 4.893 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301445519 BFXMHQVVDGZEPM-QFBILLFUSA-N 438.494 4.712 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301617740 GNDQTNKAAHWMGF-HDICACEKSA-N 445.583 4.928 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCSC2)C1 1301621222 SZNCKEDMBXJRJL-QHCPKHFHSA-N 444.670 4.727 30 10 IJEE C=CCN(CC=C)[C@@H](CNCc1cc(Br)cc(Br)c1N)C(C)C 1308198417 XCOMKLZRTQCCBD-KRWDZBQOSA-N 445.243 4.582 30 10 IJEE Cc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(OCC(F)(F)F)c1 1309289185 DESPBZFTIKUXOZ-UHFFFAOYSA-N 445.356 4.573 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 1310140694 SUCLNWMTJKWYBO-UHFFFAOYSA-N 445.585 4.566 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)nc1 1311543153 HLNSGEPMFIKBFG-STEQJIOHSA-N 440.547 4.926 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1csc(Br)c1)c1ccc(Br)cc1 1312935925 CSJCBNKTHWQKSO-AWEZNQCLSA-N 442.176 4.789 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1)c1ccc(Br)cc1 1312937403 PUCHPXZNMZFSOS-UZLBHIALSA-N 433.296 4.991 30 10 IJEE COc1ccc(C(C)(C)Cn2c(C3CCC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1315371745 GPQANFRHFNLITR-VWLOTQADSA-N 437.588 4.671 30 10 IJEE N#CCOc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)c1 1321749688 WWKXMBWMGCYDJA-UHFFFAOYSA-N 428.208 4.692 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cc(C#N)ccc2C)sc(C(=O)Nc2ccccc2)c1C 1349411110 GVHYKOAQNRXXDW-UHFFFAOYSA-N 447.516 4.918 30 10 IJEE C=CCN(C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1nc(-c2ccccc2)cs1 1352764311 RYGRXKPCVDERCC-NRFANRHFSA-N 447.560 4.988 30 10 IJEE C=CCC(C)(C)C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1357878329 XYQYETGKJOPSNU-LJQANCHMSA-N 430.545 4.784 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(F)cn1 1359004233 OODZXGXOJMZLRJ-UHFFFAOYSA-N 435.503 4.855 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)C1CCCCC1 1359086478 XXNDERFFNQHWBY-AWEZNQCLSA-N 438.439 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1359096796 HEZNRYMBBSXPIE-REWPJTCUSA-N 440.588 4.571 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccoc1 1359103282 MHDCBWJUBXUOMV-ZJSXRUAMSA-N 436.556 4.630 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1359116889 IYDWWYALGNBOGA-VQTJNVASSA-N 427.618 4.834 30 10 IJEE C=C(C)Cn1c(N(CC)Cc2ccc(F)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359124966 KZNPGHLFDOCUTE-PUZFROQSSA-N 443.567 4.791 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359190955 JCLQJWUMYVDAKL-UHFFFAOYSA-N 449.643 4.966 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1359192165 YBZPTJWJUIUCRU-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCCCO1 1359254246 JXFSOZBUKUEPBU-QHCPKHFHSA-N 447.583 4.809 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H]2CC(=O)N(CCCC)[C@@H]2c2ccc(OC)cc2)c1 1359822323 HMUWMRPGGIJLNV-UKILVPOCSA-N 436.552 4.979 30 10 IJEE C=CCN(C(=O)c1cc2sccc2nc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1435901548 SWSGBEMDSALFPW-SFHVURJKSA-N 428.941 4.752 30 10 IJEE N#Cc1ccc(OCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1Br 1442289131 BMQPFYNSQCRNRM-QFIPXVFZSA-N 447.332 4.874 30 10 IJEE C=CC(=O)Nc1ccc(O)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 1443104258 UKGZMTVZFQJAIA-UHFFFAOYSA-N 427.460 4.528 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1OC 1448508425 VQFIUHPCCOKDKI-HKFHZZIHSA-N 435.568 4.718 30 10 IJEE C#CCN(C(=O)C[C@]12CCCC[C@@H]1C2(F)F)[C@H]1CCOc2ccc(Br)cc21 1456444009 GHZSVUBOIZHMSK-XKGZKEIXSA-N 438.312 4.950 30 10 IJEE C[C@@H](NC(=O)COc1ccc(Br)cc1C#N)c1ccc(Cl)c(Cl)c1 1458991733 AGCKVAIBQLEVSC-SNVBAGLBSA-N 428.113 4.884 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)C1CCOCC1 1464955578 QUQBTZCQNICUBH-FQEVSTJZSA-N 429.314 4.791 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 1466499297 FTZRMRHAGXTRFW-DENIHFKCSA-N 436.552 4.750 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 1467944586 RZNRHNXDFXOUDZ-VWLOTQADSA-N 425.573 4.783 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(Br)cc1 1468450285 DPTZNEMWFZUXDR-VXKWHMMOSA-N 437.381 4.542 30 10 IJEE C=CCn1c(SCC(=O)NC2CCC(C)CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472908425 ZVFGYFSGJAFMTN-HWOWSKLDSA-N 445.654 4.556 30 10 IJEE C=CCn1c(S[C@H]2CCN(OC)C2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1472915978 BMNNFJFCVBKFNR-RDJZCZTQSA-N 446.642 4.598 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@@](O)(c2ccc(Br)cc2)C1 1474733097 PENNPVSWUBCSIE-NRFANRHFSA-N 434.761 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C 1478553116 UCDSZCRVLAQQMO-UXPWSPDFSA-N 429.561 4.542 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@H](C)C#N)s1 1492631233 HUZLIHPBCWCEDZ-CVEARBPZSA-N 447.568 4.765 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CC[C@H](OCC)C1CCCC1 1507611261 JZOPQVSDBXGWMM-FQEVSTJZSA-N 445.405 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1ccccc1F 1507663719 ADNXZNSSWBVZSC-UHFFFAOYSA-N 435.934 4.573 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](OC)c1ccccc1 1507680734 LPEYQQYSBUNEKE-NQIIRXRSSA-N 434.609 4.979 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOC1CCCCCC1 1507681504 WBACFCBPXFIFJT-UHFFFAOYSA-N 432.572 4.534 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@H]1C 1507705638 VJHKSDYEOITXBC-APWZRJJASA-N 445.405 4.538 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507746079 KMFWURDVRITGID-KCUHQSDYSA-N 431.005 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H](c1cccnc1)C(C)C 1507771896 IPWHASYZBFQFEW-JYFHCDHNSA-N 447.558 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1 1507816207 DNOUAOXMTHKUAI-OAQYLSRUSA-N 439.604 4.843 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1507832962 QCSOBRVRECCEFL-QGZVFWFLSA-N 425.602 4.534 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccs1 1507846628 RSWAHICXSVLPNK-SFHVURJKSA-N 429.615 4.630 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCc2ccc(Br)cc2C1 1507865822 IEDJVMVOZQBTCN-UHFFFAOYSA-N 444.764 4.726 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](OC)C(C)(C)C)CC1 1507898691 UKDDKBZKAPFVFG-JOCHJYFZSA-N 434.588 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1507913269 QDJYUSYUZWFTBD-UHFFFAOYSA-N 442.567 4.862 30 10 IJEE 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CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 1526194047 MERRKSGTVHMABF-UHFFFAOYSA-N 438.490 4.838 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC3CCCC3)CC2)c(F)c1 1527690719 HLCPXSIOMWYDHK-UHFFFAOYSA-N 427.907 4.635 30 10 IJEE C=CCOc1ccc(CC(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2)cc1 1529165283 ZEMDODIOEJRQCT-VWLOTQADSA-N 426.516 4.781 30 10 IJEE C=C[C@@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1530555943 KGTGPAAQVPHCGT-WMZHIEFXSA-N 426.988 4.968 30 10 IJEE CSc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1Br 1534130341 AKXMSMQSICOLKR-CYBMUJFWSA-N 434.334 4.647 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCc2sccc2C)c1 1539041977 AGLMPIMCCBHTPK-UHFFFAOYSA-N 447.608 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1oc(CC)nc1C 1539658972 FPAIVKDRMZDABQ-UHFFFAOYSA-N 429.952 4.917 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCc1ccc(Br)cc1 1539661850 LHTIXRFHQWZOKH-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CCCCO)C1CC1 1539779467 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4.759 30 10 IJEE CC(C)n1cc(C2=CCCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)nn1 1569577723 CVEMHROMCZFTGK-UHFFFAOYSA-N 441.535 4.629 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)nc1SC)c1ccc(Br)cc1 1584707819 GHEXFWJKTLKDTF-OAHLLOKOSA-N 432.387 4.671 30 10 IJEE C#CCCCn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1587861590 NQEFJEGEQNHYGZ-HNNXBMFYSA-N 425.524 4.749 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1587964416 JPJFBUVUADHWAT-SFHVURJKSA-N 432.565 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc([C@H](C)OC)n1 1588284719 YUDZZXVEQMKULF-KRWDZBQOSA-N 437.613 4.914 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cccnc2OC)CC1 1594071085 ZAUMRDJPMKWKOU-UHFFFAOYSA-N 447.583 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1594202228 IGAFMVBGAMEZMF-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1594600024 GGPQWAUOZBHBFU-NRFANRHFSA-N 448.615 4.532 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CC1(O)CCCCC1 1595133953 PKOLVBNDSZTZSJ-OAQYLSRUSA-N 428.552 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(CCC)C1 1595150014 ZYLBLCKSVDKTTI-OAQYLSRUSA-N 446.624 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCN(C)C1CCCC1 1595156209 IRGLBJWADGGLNT-OAQYLSRUSA-N 429.634 4.648 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1sc(C)nc1C 1595178748 NTYUPFYDLAORTG-INIZCTEOSA-N 427.549 4.857 30 10 IJEE CC1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)C2CCCCC2)CC1 1612871994 HQQMYWDSJUGYLF-NRFANRHFSA-N 434.632 4.954 30 10 IJEE C=CCNc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)s1 1613423264 ATWLZMVCMOACLS-UHFFFAOYSA-N 438.003 4.952 30 10 IJEE CC1(C)[C@@H](C(=O)NOCc2c(F)c(F)c(F)c(F)c2F)[C@@H]1/C=C(/Cl)C(F)(F)F 1615199754 QOVVJDVKLAGGES-PSWGFCAFSA-N 437.714 4.887 30 10 IJEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 1615909951 DKOPMFPBLPLSBH-DEOSSOPVSA-N 443.478 4.617 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 1618501813 YYLBIKFIAINWBR-HNNXBMFYSA-N 436.459 4.862 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(Br)c(Cl)cc1OC)c1ccccc1 1618596829 DOUNSQJHGGLDIL-DEOSSOPVSA-N 428.735 4.964 30 10 IJEE Cc1cc(C)c(-c2cc(NC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)n[nH]2)cc1C 1623680176 GOGMPCDSJZZBLQ-UHFFFAOYSA-N 429.459 4.842 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-n3cccc3)ccc2Cl)CC1 1626676576 CKQHIVRXPOPQOO-JOCHJYFZSA-N 439.346 4.807 30 10 IJEE C#CCCN1CCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1 1627319309 XMLQBXNBRMCFCV-UHFFFAOYSA-N 436.474 4.777 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 1628489860 LWOSJIAALIFHNH-KRWDZBQOSA-N 431.492 4.991 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCCc2ccccc2)nc1 1633512920 GDSGLIHOLXJDGA-UHFFFAOYSA-N 440.503 4.706 30 10 IJEE C#CCOc1ccccc1NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 1634334137 RZAVHZVPZFNBGD-UHFFFAOYSA-N 434.536 4.904 30 10 IJEE 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C#CCN(C[C@@H](O)c1ccc(F)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1657340474 UDDQLTKIHXKJSX-RTBURBONSA-N 438.724 4.734 30 10 IJEE CC(C)(CN1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccc(Br)cc1 1658478242 BQGJTGAJNOAWPL-UHFFFAOYSA-N 449.396 4.969 30 10 IJEE C=CCOc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1Cl 1658604296 FWLDNFRKRPNFKM-INIZCTEOSA-N 430.923 4.887 30 10 IJEE CC(C)[C@H]1CCc2nc(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)sc2C1 1665170848 BQMWYLQPLZKEBB-ZLPCBKJTSA-N 439.585 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 1667609558 JPRFLVPKMWPEJV-TYPHKJRUSA-N 429.358 4.819 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1 1667787248 GGZALYOKJVZTCK-GOTSBHOMSA-N 428.492 4.584 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 1671186372 XQPIREKHYCQVJK-VIZSFHNOSA-N 429.967 4.959 30 10 IJEE Cc1ccc([C@H](CC(F)(F)F)NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1671382051 AMNVLEDZWPJSJY-QFIPXVFZSA-N 444.501 4.824 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 1673582013 NWBNASLTEWEOQF-BWKNWUBXSA-N 427.589 4.749 30 10 IJEE C#C[C@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C)c1ccc(Cl)cc1 1674020409 KCGXRCTWVROFLY-PXNSSMCTSA-N 445.991 4.835 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(Br)cc1 1677285389 JESMVJXTGABVRL-HOTGVXAUSA-N 429.211 4.865 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCC(=O)N2CCCc3ccccc32)cc1 1677631622 GEXUDKUBCVTIEW-UHFFFAOYSA-N 442.544 4.810 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)NCCN2CCSCC2)cc1 1678484188 HQYWYCRTVSHXDY-UHFFFAOYSA-N 433.002 4.533 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CCN(C)C)Cc3cccc(C(F)(F)F)c3)cc2n1 1680698497 OYJBOZLQGAAVPE-UHFFFAOYSA-N 445.489 4.837 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@]1(C)CCCS1 1689841774 NXMGRUUJEMRASR-UUOWRZLLSA-N 442.629 4.876 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCCC[C@@H]1C 1689948481 XHDNDBYCGLVEBV-PMACEKPBSA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)CN1CCCCC1 1690063552 HLYGODHEIQFYQA-HXUWFJFHSA-N 439.673 4.857 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1690158193 ZIVXHCJNGHUSPV-IPJJNNNSSA-N 440.613 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nnc(C)s1 1690259354 GFIGGLQFXBVZQA-UHFFFAOYSA-N 447.406 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC1CCCC1 1690263090 ZUEPKYZCCJWVBX-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1690417586 YGRHBEDDXFPGRC-PMACEKPBSA-N 442.629 4.797 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1690500508 XRVFVWLNRAGGNH-AUSIDOKSSA-N 440.588 4.714 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NC1CCCCC1)C1CC1 1690539477 BCOSGKDUZNIRND-UHFFFAOYSA-N 435.616 4.846 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCOC[C@@H]1C 1690555855 GDZFLGCBYFEIML-SIKLNZKXSA-N 447.583 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(Cl)nc1 1705588488 GLKFUWYNOUGWSK-FQEVSTJZSA-N 447.970 4.595 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CCCc1nc2c(s1)CCCC2 1705608472 SKSBIGLSXKLLLW-UHFFFAOYSA-N 433.625 4.935 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCC(C)CC2)CC1 1705763430 VINYLMKPPLFHPY-OAQYLSRUSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1705784757 IBTOKJBOILFJBW-AUSIDOKSSA-N 445.007 4.974 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(SC)c1 1705876571 BLFLAZHFNJRICW-UYAOXDASSA-N 427.618 4.540 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)cc1 1705881903 FUXHRIUPXVLUJX-QGZVFWFLSA-N 440.588 4.958 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(c2ccc(C)cc2)CC1 1705887444 HHIKZRFHFWMOOT-UHFFFAOYSA-N 444.402 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(C2CC2)CC1 1722284681 LGACPBPWSLALGJ-OAHLLOKOSA-N 432.399 4.584 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC2(CCCCC2)C1 1722327815 OFLRRNCBXMJUNI-QFIPXVFZSA-N 436.600 4.988 30 10 IJEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1722340214 QYKHQDCGOYDGET-UHFFFAOYSA-N 439.560 4.559 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1722456396 YFXDCGOKVYADFL-UHFFFAOYSA-N 447.530 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)C1 1722495887 IIPJEAHBFBACMV-LEDOBFOHSA-N 430.980 4.585 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1722555419 BKTMGMCYUGYVJR-UHFFFAOYSA-N 430.911 4.931 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1722580726 XWMGVOJKLUSWJL-UGKGYDQZSA-N 443.661 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCSC[C@@H]1C 1722590349 YZQVKDMXYGABEZ-SFHVURJKSA-N 430.618 4.800 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1722595792 ZEJFHRBLSMOBLB-GMAHTHKFSA-N 433.600 4.896 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1C[C@H]1CF 1722674703 GIEAKXJSKVWUTR-DXBBTUNJSA-N 426.580 4.962 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1CCC(F)(F)CC1 1722681623 OPTXJNNXADDDKV-UHFFFAOYSA-N 440.485 4.611 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N 1728730137 AEMHDUVOGMFERX-AWEZNQCLSA-N 440.375 4.575 30 10 IJEE CN(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 1729319844 IBTANINHOWRZFX-RDGATRHJSA-N 426.653 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCC(OC)CC1 1740533478 BSIKKFMDXFPTEC-BRJVHFRTSA-N 430.980 4.735 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)CCC(C)C 1740540802 ZJIBIGHBQAIACW-XFAGBWLFSA-N 428.646 4.777 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1740570236 VODKBONWCDAKSK-FQEVSTJZSA-N 449.624 4.702 30 10 IJEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CCC)CCc1cccs1 1740590808 JWMHGNSHPZVLKG-JOCHJYFZSA-N 436.581 4.725 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)C1CC1 1740753648 MOFCVUFDFJECEW-APWZRJJASA-N 431.378 4.678 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1740788551 VYKHPVWXUKJDDN-IBGZPJMESA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC=CCC2)CC1 1740834752 BPBDJAIGAVLIGR-LJQANCHMSA-N 438.572 4.730 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC(F)(F)C1 1740936847 LFOATKJZTFWBCV-QGZVFWFLSA-N 447.555 4.897 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1ccsc1 1740938838 NAHFQNWDBMYKCY-UHFFFAOYSA-N 433.581 4.745 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCCC1(C)C 1743935540 AOXACJNEVMWJKG-QGUKFAFCSA-N 435.616 4.891 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)s1 1744359766 HJXQQIWKPKNAIF-HZPDHXFCSA-N 427.549 4.825 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1749046733 DUDRTVJNLQPNAN-FGZHOGPDSA-N 438.641 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC1CC(F)C1 1749134944 ACRXZQZJCPNFAF-VSFLDCQPSA-N 442.579 4.639 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)nnc1C(C)(C)C 1749140539 QMJLHLXRBAXLGL-OLPIVMHESA-N 427.420 4.577 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(C)(C)C)CC1 1749203575 CFBWRDYYKXUKRO-UHFFFAOYSA-N 425.621 4.786 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749231266 KHLIKHCIVPMRKK-OAQYLSRUSA-N 447.023 4.899 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749296624 PPYMUHKTIUHLIP-SZPZYZBQSA-N 437.632 4.868 30 10 IJEE COC[C@@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(C#N)C1 1749296913 FIZWZRNAALGELF-SBUREZEXSA-N 427.618 4.688 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCc2cc(Br)ccc2C1 1749395349 HEHDSIHCYCQSJL-UHFFFAOYSA-N 440.389 4.965 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC1CCOCC1 1749449880 WWTVSIVVWYJHQR-UHFFFAOYSA-N 439.387 4.707 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749621485 BQFSOKIXYVLGDC-QGZVFWFLSA-N 433.394 4.986 30 10 IJEE C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1749633823 OCPBCWBICWTKFV-LJQANCHMSA-N 434.588 4.525 30 10 IJEE C=CCn1c(N(C)Cc2nc([C@@H](C)SCC)no2)nnc1C1(c2ccccc2)CCC1 1749642979 AJDKQPINHUSJKW-QGZVFWFLSA-N 438.601 4.768 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(CCOC)CCC1 1760165595 XMAKATZACGFFPH-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1C1CC1 1760228182 WZVUUUGIBVPAND-RXVVDRJESA-N 442.007 4.548 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1ccnc(SCC)c1 1760240642 XTVLTVGIYAQNCU-UHFFFAOYSA-N 437.588 4.910 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC1=CCCCC1 1760244290 PRZYWJZWMUOZLM-UHFFFAOYSA-N 429.568 4.778 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(N(C)C)CCCCC1 1760298842 WZOHPRTVBKJHRG-AREMUKBSSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1760328451 VXFNYWQVBKRMIN-GJPOJAMWSA-N 426.630 4.952 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)c1cccs1 1760340213 OYKMOSGASPFCJC-BOCKYXSRSA-N 432.634 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1760372213 BJDQOZAWVWSRJH-SFHVURJKSA-N 449.864 4.689 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2OC)CC1 1760428944 MBDQUTKYFOSGTP-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CCC)CCC1 1760460664 BGTVTUUAKOUIIH-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1765085441 HPHZGJOPDNOFFD-MJGOQNOKSA-N 437.979 4.666 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)C1 1766780671 BQKMTLYLHBRIEX-PMACEKPBSA-N 436.585 4.580 30 10 IJEE CO[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1769625137 DFLMMSAQZLFPSV-IBGZPJMESA-N 446.393 4.509 30 10 IJEE CC1CCN(S(=O)(=O)c2ccc(-c3csc(NN=Cc4ccccc4)n3)cc2)CC1 1772721533 ZGCOEKBYNLIKSL-UHFFFAOYSA-N 440.594 4.677 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1)CC2=NOC(=O)c1cccc([N+](=O)[O-])c1 1772722870 ZHCAKTHAPJNEDN-RPWUZVMVSA-N 435.480 4.963 30 10 IJEE COc1ccccc1C=NN=C1S/C(=C/c2ccccc2OC)C(=O)N1Cc1ccco1 1772757573 QOVCGYYQHOPYSA-HWVQBVCISA-N 447.516 4.803 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=NN=Cc2ccccc2)N1Cc1ccco1 1772758374 TXQREQVJSCJSGU-FYDGMIJASA-N 432.461 4.694 30 10 IJEE CCCCNC(=S)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1860498922 ZWJLUSSWVFIMHF-MFKUBSTISA-N 428.989 4.972 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1C 1862407670 SXIDQMNRGFUCRX-HSZRJFAPSA-N 436.552 4.694 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)c1 1862447054 HEHDJFBLCVLEFA-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCO)cc1 1862546358 WCVQYRRYDABOJP-DEOSSOPVSA-N 433.548 4.650 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862666918 OMVKAIRSJIRPSR-QMHKHESXSA-N 435.520 4.958 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1862676161 BYAROTLDJRAJMS-OAQYLSRUSA-N 432.407 4.512 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 1862688497 XBIHEJGSLRCNOW-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862694844 TWIHTNKSRJFDSC-NRFANRHFSA-N 438.480 4.762 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2cc[nH]c2c1 1862715507 WOKWWQCIKRBLKX-QHCPKHFHSA-N 426.472 4.546 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)c2ccc3c(c2)CCCC3)=C(c2c[nH]c3ccccc23)C1=O 1863816757 BYBAUXCOPYKTAC-QGZVFWFLSA-N 425.532 4.663 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccc(CC)cc2)cc1=O 1870838448 DTZBSJHYEGLPDQ-UHFFFAOYSA-N 427.589 4.508 30 10 IJEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870890351 TZXJJBHGSVZWCE-UHFFFAOYSA-N 434.536 4.805 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1cccc(C)c1C 1871165712 GATXLGCKPJJDBX-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871646298 XUIHKPDYPXEFDI-UHFFFAOYSA-N 443.596 4.684 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872467947 QWEQXQRHMZDBHM-QHCPKHFHSA-N 428.598 4.788 30 10 IJEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 1872772950 UXSBGNVDBVPCHA-TZIWHRDSSA-N 429.545 4.652 30 10 IJEE CCCOc1ccc(/C=N/Nc2oc(-c3cccs3)nc2C(=O)OC)cc1OCC 1873463394 HQFNBOOPFLZALY-LPYMAVHISA-N 429.498 4.823 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873793184 AUWXNJVEBVFOJS-BRJLIKDPSA-N 439.302 4.677 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cc(C)ccc1O 1874222350 QBMYDXQQZNWSEJ-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCO)n1/N=C/c1ccc(C(C)C)cc1 1874251242 TUXKQDIXTCEBOX-KOEQRZSOSA-N 438.597 4.688 30 10 IJEE Cc1ccc(CSc2nnc(COc3cc(F)ccc3F)n2/N=C/c2ccc[nH]2)cc1 1874259716 PHVFUNPHKFFKSA-RPPGKUMJSA-N 439.491 4.946 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc(Cl)c1 1874274840 VFBGOAIINTVKFP-BRUSPLQXSA-N 431.993 4.596 30 10 IJEE CCOc1ccc(Cc2nnc(SCCCO)n2/N=C/c2cccc3ccccc23)cc1 1874304163 LFCPUNTXOSUPNE-NLRVBDNBSA-N 446.576 4.778 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)cc1 1874420419 LORUPSWYAKOVNL-OEAKJJBVSA-N 449.561 4.628 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccc(F)c1 1874440311 SZPUZZWBEGZBDB-BUVRLJJBSA-N 433.597 4.629 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2C)cc1C 1874444002 QHJYIQSTULJPBK-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)cc1 1874447416 BJDKMXVXEPGANO-PGLVWIQMSA-N 426.517 4.842 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2C(F)(F)F)ccc1OCc1ccc(C)cc1 1874458964 PEMMIUNBLAUORN-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCC(=O)NCCC)cc1 1874477195 OIXXWGMLVMKPMR-KOEQRZSOSA-N 445.633 4.690 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2sccc2C)c1 1874487301 KIIYKEQZOFMWJH-WSDLNYQXSA-N 427.599 4.768 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccccc1F 1874513233 NLMSCJVPBSCDAX-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(C(C)C)cc1 1874520265 JINCVHAZUVZMNF-BUVRLJJBSA-N 427.618 4.902 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cccc(Cl)c1 1874576513 QLQKAARMHJMPSN-SOFGYWHQSA-N 436.733 4.904 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OCC(=O)OC 1874635935 AVDIKUYTYQLJRV-FNORWQNLSA-N 439.291 4.849 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 1875134629 CDHFGWOULRDCLS-ZQAUEJBPSA-N 439.464 4.591 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)cc2)c(OC)c1 1875179212 WCFRCXZWHKZZIE-XNTDXEJSSA-N 448.471 4.593 30 10 IJEE CC1(C)CC[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)N(C(=O)OC(C)(C)C)C1 1964761486 MPZNKDPEWUDKCB-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017959370 UYYZQCQCSUFWHT-JKSUJKDBSA-N 436.557 4.852 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 2032369816 VQBXHGTVRFQCBZ-PXNSSMCTSA-N 445.560 4.976 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CC[C@@](CNC(=O)OC(C)(C)C)(C1)OC2 2043010832 AJNOECVBFFJGRZ-RZFJZAQRSA-N 444.616 4.592 30 10 IJEE COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)C=C3N(C)c4ccccc4C3(C)C)n2)cc1 2054611599 MBQWTVFBJYOPTJ-HNNXBMFYSA-N 434.565 4.842 30 10 IJEE CC[C@@H](c1ccc(C)c(F)c1)n1nc(C(C)C)c(/C=N/O)c1I 2079099721 VAPKLRPFHDBQLX-FULVDIRDSA-N 429.277 4.866 30 10 IJEE CC(C)(C)OC(=O)c1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1[N+](=O)[O-] 2079196681 KDRLSHFYYXQTKU-UHFFFAOYSA-N 443.275 4.913 30 10 IJEE Fc1ccc(F)c(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)c1 2080701015 KABNRMPZGXYPPL-UHFFFAOYSA-N 442.047 4.928 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNc1cc(Br)c(C#N)cc1F 2106092404 ZQYHGGFQXYKBHF-QWHCGFSZSA-N 426.330 4.765 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124519950 PDEFIPMMOKADQV-SFHVURJKSA-N 444.381 4.661 30 10 IJEE C=CCC1(NC(=O)c2cc(F)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2174761488 QJOVRFKMEXBPEN-UHFFFAOYSA-N 441.341 4.664 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(c2ccc(Br)cc2C#N)CC1 2174768400 TWYPLQHBZRARQO-OAHLLOKOSA-N 448.283 4.699 30 10 IJEE C[C@@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2174809856 FNGMDMZKKPLLCD-ZIAGYGMSSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H]1CN(c1ccc(C#N)c(Br)c1F)C2 2174821262 GJSWHUZFEMXEEC-JLTOFOAXSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC(=O)Nc1ccc(C#N)c(Br)c1)C1CCC1 2181105892 PMXUGLUHWKPGQM-HNNXBMFYSA-N 436.350 4.590 30 10 IJEE CCOc1cc([C@H](C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)cc(Br)c1O 2187805822 FCZPYGCNEBZPMZ-ZDUSSCGKSA-N 440.298 4.665 30 10 IJEE Brc1sc(C#CCNC2CCC2)c(Br)c1Br 2212189723 OGLWLOUQAGFNMS-UHFFFAOYSA-N 427.987 4.529 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235719492 FXMAZMRPOBFTBX-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE O=C(C#Cc1ccccc1Br)[C@@H](O)c1cc(Br)c(Cl)s1 2235720654 PUUAWDLPDUJAMT-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2235735344 YVEVSIKYAITFSH-IEBWSBKVSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@H](O)C#Cc3ccccc3Br)cc2C1 2235740439 ONQIYNQNWPTLQV-QGZVFWFLSA-N 448.382 4.889 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@H](O)C#Cc2ccccc2Br)CC1 2235742759 ZBXFVSNHKYMCPZ-COFLGROHSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@H](N)C#Cc2ccccc2Br)CC1 2235747622 RJFBSJXELMAMBQ-BLIXFSHQSA-N 439.369 4.551 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2235748290 YDFUGMVNACZKNB-BHIYHBOVSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)cc1 2255541217 YMTBOAAWGVXQLK-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2255615332 KDCLTIPYBIDFOA-BMGDILEWSA-N 430.354 4.693 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2262207569 SXIUFQVFJNYHKJ-OFVILXPXSA-N 447.572 4.512 30 10 IJEE N[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Br)o1 2264111696 GCDDAEQNXMRMBL-NSHDSACASA-N 433.925 4.619 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)cc(Br)c1F 2272722722 BBVHUWFYLGBJIV-WBVHZDCISA-N 431.321 4.685 30 10 IJEE C#CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1nc2ccc(Br)cc2s1 2278967228 DLFGQEOSYZSOGF-IBGZPJMESA-N 439.375 4.992 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)o1 2296247572 GPMBIALFYZEGMB-QMHKHESXSA-N 429.472 4.533 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2296300934 OQYHVULTCNVGEE-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296303654 YQHMASWDDUWYGL-IPMKNSEASA-N 435.406 4.718 30 10 IJEE O=C(O)C[C@H](c1cccnc1)c1c(O)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2297577414 QCHPDXNYVWCQSD-CQSZACIVSA-N 439.826 4.803 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2298495866 GNHHHDSBXATJRK-VCAMNPENSA-N 434.541 4.509 30 10 IJEE CCN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=Nc1nc(-c2ccccc2)cs1 2314543933 PJFXKAKZGMMVPK-UHFFFAOYSA-N 432.530 4.756 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 2322171123 ZMUJLTWRGMLSOF-UHFFFAOYSA-N 441.462 4.713 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc4c3CN(C[C@H]3COc5ccccc5O3)CO4)C2=O)c1 2322234755 OLLRNLUWNSMSOA-IBGZPJMESA-N 441.483 4.603 30 10 IJEE CCCNC(=O)COc1c(C=CC(=O)c2ccc(OCCC)cc2)cc(Cl)cc1OC 2322608331 YKKDXRKXGLVLJH-UHFFFAOYSA-N 445.943 4.939 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2322687392 JWVMCJDZPXNBOL-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1OC 2323378823 AJHHEZRLDLHZPE-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323882295 LZNPUHNMJIJDOH-UHFFFAOYSA-N 432.403 4.977 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1OCCCO 2323889554 BEDVUTWCJJJBJP-UHFFFAOYSA-N 440.279 4.958 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2324140868 CLLFPSIEFAJGCK-IBGZPJMESA-N 446.547 4.545 30 10 IJEE O=C[C@]1(Cc2ccc(I)c(Br)c2)CCC(F)(F)C1 2325224008 SANXLVHYXNZMPD-LBPRGKRZSA-N 429.042 4.601 30 10 IJEE C=C(CC(=O)C=Cc1cccc(F)c1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 2328091455 ZXWRYXRRVYJUDW-UHFFFAOYSA-N 449.570 4.798 30 10 IJEE OCCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(C(F)(F)F)cc1 2329685285 YBMHADYLTOKNOU-UHFFFAOYSA-N 440.516 4.500 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(C(C)C)cc1 2330363427 AICFJDASZAGNJS-UHFFFAOYSA-N 441.626 4.554 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1cccc(Cl)c1 2330431598 VPJBHDQSZKHBOC-UHFFFAOYSA-N 449.001 4.757 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1ccc(F)cc1)Nc1ccccc1 2330531444 GSUGEINDTOPFTE-UHFFFAOYSA-N 437.525 4.759 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2OC)c1 2330735999 UWCUZYXRKBFRTJ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2O)o1 2331065629 FRCWJKNARCOASL-UHFFFAOYSA-N 440.525 4.586 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccncc1 2331727063 AGRWBXFLWMYLTE-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(C=CC(=O)O)cc2)c1 2332198174 QODXGHRGDNAIMA-UHFFFAOYSA-N 443.507 4.736 30 10 IJEE C=CC[C@@H](Oc1cc(Br)nc(C(C)C)n1)[C@H]1CCN1C(=O)OC(C)(C)C 2335734490 FECRDDQUSIOMKO-ZIAGYGMSSA-N 426.355 4.695 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(COC)c1 2337136245 CROBGRRSIIRELW-ZWKOTPCHSA-N 427.383 4.716 30 10 IJEE Cc1cc(CN[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649528 JEVAYWBRGIDEGR-DNQXCXABSA-N 435.417 4.768 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H](CN(c3cc(Br)cc(C#N)c3)C1)C2 2357628776 MHPKGHYYMLBHSV-YCRPNKLZSA-N 434.378 4.842 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360885208 SBLAERIUTBZFAN-IPMKNSEASA-N 435.406 4.720 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)CCc2ccc(OC)cc2Br)C1 2364872765 YVRSXCPIQAAPQH-GOSISDBHSA-N 440.378 4.612 30 10 IJEE NCCCO[C@H](C#Cc1cccs1)c1sc(Cl)cc1I 2366696863 WLMJQZPKZVPQNC-GFCCVEGCSA-N 437.755 4.526 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2OCCOc2ccc(OC)cc2)SC1=S 2978110 XMBMUSLKNXRFIB-HMMYKYKNSA-N 427.547 4.540 30 10 IJEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 8415426 WKYFVQQAHOZNGE-FQEVSTJZSA-N 427.426 4.707 30 10 IJEE Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn21 20849765 OYLVXRFIIQEVRB-NRFANRHFSA-N 447.520 4.809 30 10 IJEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)cc1Cl 21229917 JAUCVUUQBBZXAS-FUHWJXTLSA-N 425.912 4.752 30 10 IJEE C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 22048156 DVFQCOZHIQPAIH-NSHDSACASA-N 443.985 4.677 30 10 IJEE Cc1cc(C(=O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)c(C)s1 22692217 ZNVLSQURWIGNHJ-GOSISDBHSA-O 431.647 4.657 30 10 IJEE CCOc1ccc(C(=O)C2=CN(c3ccc(C#N)cc3)c3ccccc3S2(=O)=O)cc1 32984309 AEMURTVNXHTZFJ-UHFFFAOYSA-N 430.485 4.607 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)cc1 33959924 QUUSYFZZHONUIM-IIXAAWDWSA-N 440.594 4.952 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)cc1 35513490 LVNDWQHFRMLQKS-IBGZPJMESA-N 434.448 4.703 30 10 IJEE N#C[C@@H](C(=O)c1cccc(I)c1)c1ccc(Br)cc1 37344950 FFFQVXLFABASBK-CQSZACIVSA-N 426.051 4.544 30 10 IJEE COC(=O)c1ccc(/C=C2\S/C(=N/c3cccc(C)n3)N(c3ccccc3)C2=O)cc1 39863552 BMTCBHNPPNEQQR-UVFCNREVSA-N 429.501 4.985 30 10 IJEE C=CCc1ccccc1OCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 40185284 PLLDHRYKVTWMSI-UHFFFAOYSA-N 426.520 4.511 30 10 IJEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1sccc1C 54643633 SHLSDGYCCOLQCI-GOSISDBHSA-N 438.578 4.958 30 10 IJEE COc1ccc(C(=O)CSc2n[nH]c(N/N=C(\C)C34CC5CC(CC(C5)C3)C4)n2)cc1 59310658 AKVHSZRZHPCOMF-AFUMVMLFSA-N 439.585 4.793 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 61192388 ASVVAVQMRTUXRZ-UHFFFAOYSA-N 428.536 4.615 30 10 IJEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3ccc(OCc4ccccc4)cc3)cc21 96537827 FSUXHBIPRMJAQL-IBGZPJMESA-N 443.499 4.827 30 10 IJEE COC(=O)Cc1csc(N/N=C\c2ccc(OCc3cc(C)ccc3C)c(OC)c2)n1 169941490 SLRWTRMNMSINCV-MSXFZWOLSA-N 439.537 4.509 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169967041 CIHVWKDRYMEZOX-NRFANRHFSA-N 447.560 4.917 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1 170006892 YEYHHRLHTFWMFJ-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)c(C)c1 170043759 RWWZVJKREZVKSX-NRFANRHFSA-N 441.911 4.884 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170050828 PJDHOHLXXKEJGK-OAQYLSRUSA-N 447.874 4.910 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)s1 170081275 YODLNJBAGXELQC-GOSISDBHSA-N 440.908 4.902 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2sccc2C)cc1 170105912 JRLRCHUIRVAQKE-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(O)cc2)cc1 170133226 XGVMCCTUWZUWBJ-FYSMJZIKSA-N 441.483 4.807 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 170144045 ULVKRLMEXOFNIY-MWTRTKDXSA-N 429.472 4.690 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)ccc1OC(C)C 170178090 DSZUQSOTKXGMCT-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)c(C)c1 170237245 VAAUXZICHJRHDE-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)cc1C 170274589 DLCACHBSHPRCFI-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccco1)c1ccc(Br)cc1 170279716 IDXKMFFWZMBRSZ-QGZVFWFLSA-N 444.306 4.882 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)cc1 170284596 HTEQVCKKJJGRFY-QHCPKHFHSA-N 429.472 4.950 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301725 CSPPFVOJKGFKCQ-NRFANRHFSA-N 432.432 4.896 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1ccc(C)o1 170304328 VAAATWVFMLYOAG-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170361854 ZWZFIIHWSXFWLM-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 170417898 VOMQLCZYPFYOCA-XMMPIXPASA-N 443.499 4.872 30 10 IJEE C=CC[C@H]1N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC2)CCCC1(C)C 461592166 OPVVIGYRLKRHTC-PGRDOPGGSA-N 440.588 4.570 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCC2(C)C)c1 476556183 ZQBAOIZMIABMER-UHFFFAOYSA-N 432.973 4.736 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)nnc1-c1ccc(C)cc1 481356305 BBLWMPYSFAUQAG-ZWKOTPCHSA-N 436.581 4.806 30 10 IJEE CSc1nc(O)c(C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)cc1C#N 481762219 MBJISHQCVOWCMI-UHFFFAOYSA-N 440.594 4.848 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 519788462 IRQCJZZXRLBIAN-QHCPKHFHSA-N 448.567 4.617 30 10 IJEE N#Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 526669411 VZHKWYPQPAUHKR-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 526744313 LYEFSTGREXZTKM-JOCHJYFZSA-N 449.409 4.673 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OC)c1OCC 526803318 UWPVRZVTCPJEEB-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE Cc1nc(C2(NCC(=O)Nc3ccccc3S[C@@H](C)CC#N)CCCCCC2)no1 533034598 UYHNJXQCQDAYFB-INIZCTEOSA-N 427.574 4.550 30 10 IJEE COCCOc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 543212737 BPVXVHULUYVOGY-RPWUZVMVSA-N 442.515 4.905 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 549668768 AJISPFYJCBABQH-UHFFFAOYSA-N 432.543 4.992 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)c1 585932019 CKKFEKYUJVCFQG-DEOSSOPVSA-N 448.611 4.671 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1 586258314 QZUSJXGUCKWWJM-UHFFFAOYSA-N 430.888 4.755 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698826565 KQYKHBNUWQDWNO-XMMPIXPASA-N 439.487 4.872 30 10 IJEE Clc1ccc(I)cc1N=C1NC2(CCSCC2)CCS1 719673669 FMRWIZYUQLEDOD-UHFFFAOYSA-N 438.787 4.924 30 10 IJEE CCOc1c(Br)cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cc1OC 731564423 DYCMYNDIRXSKGA-XQRVVYSFSA-N 446.219 4.872 30 10 IJEE COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1C#N 746741415 MNRAYEHNELEOSV-UHFFFAOYSA-N 439.475 4.618 30 10 IJEE Cc1ccnc(C2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC2)n1 756247433 FZRUAPTXMBPENP-UHFFFAOYSA-N 428.561 4.969 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 759238136 GYDXTKMEVKHVCQ-NJDAHSKKSA-N 428.488 4.657 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(-c3nnc(CCOC)o3)c2)c1 779351193 HYGKGWKTVCFFFP-UHFFFAOYSA-N 437.499 4.754 30 10 IJEE COc1cccc(C(C)=NNc2nc(SCC(=O)Nc3cccc4ccccc34)n[nH]2)c1 1084036547 CMPVCSITCLQJOI-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CCSc3ccccc32)c(C(=O)OCC)c1C 1124757309 PKAOGLZEQSLCJS-OAHLLOKOSA-N 445.562 4.794 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Cl)ccc2Br)CCCN1C(=O)OC(C)(C)C 1127358195 NIQAJGXBMKHPPE-IBGZPJMESA-N 441.753 4.834 30 10 IJEE C#CCn1cc(CNC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)cn1 1139860820 IIZFFKPWFFAOMB-UHFFFAOYSA-N 433.364 4.541 30 10 IJEE Cc1ccccc1CCc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n[nH]1 1144119449 GGSCLDHQTQDGQP-UHFFFAOYSA-N 426.476 4.799 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(Nc3cccc(C)c3)CC2)CCCN1C(=O)OC(C)(C)C 1147666880 DGHHZVZQEMPOHR-VWLOTQADSA-N 427.589 4.744 30 10 IJEE C#C[C@H](C)N(C)C(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1156192008 VNMNDZKVEWRXLD-LEWJYISDSA-N 444.575 4.908 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C)n1ccc2ccccc2c1=O 1162667641 GGYWKPVUSASJNN-JKSUJKDBSA-N 427.426 4.522 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)COc1ccc(Cl)cc1Br 1167115410 ABZQNNLVYDQTHS-QGZVFWFLSA-N 440.765 4.539 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnccc2-n2cccn2)cc1OCC 1178310744 FRVVVYLLTHBMQX-UHFFFAOYSA-N 429.318 4.605 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 1189383992 XUCZTVABOKKNOY-UHFFFAOYSA-N 431.297 4.600 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1c(F)cccc1Cl 1191614312 FOURMEBEYYLJTC-LBPRGKRZSA-N 434.842 4.742 30 10 IJEE C#CCC1(NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCCCC1 1248622924 YOEDYFHBVGCJRJ-OAQYLSRUSA-N 425.573 4.546 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)cc1 1265952907 CZJIUKAFEWWBEG-OAQYLSRUSA-N 433.895 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1=CCCCC1 1286298236 HMVAOUQHZRTYSF-IBGZPJMESA-N 441.620 4.741 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1286327334 IZTJBNIYYJWXOF-NQIIRXRSSA-N 435.374 4.832 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCCC[C@@H](SCC)C1 1286508130 JFNVTZMEENGYPO-OAQYLSRUSA-N 428.671 4.542 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 1286550300 HTKOATLFBCMSBI-SIKLNZKXSA-N 445.007 4.974 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1286648560 FZROZPUUXHHGNF-OFNKIYASSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](SCC)C1 1286675702 RKDJJSKLXMXXKV-FQEVSTJZSA-N 430.666 4.854 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC1CCC(OC)CC1 1286744316 DNOLRGARIGQHLE-UHFFFAOYSA-N 449.574 4.801 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)OC(C)(C)C1)C(C)C 1286750429 AJXRNHJCJUSGCD-FYYLOGMGSA-N 437.632 4.647 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(O)cc1 1286960084 CCGLYAFHHBNJAN-IAGOWNOFSA-N 435.597 4.676 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1 1291956835 WMLWZUZWRSRCFG-IBGZPJMESA-N 430.321 4.636 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1 1296464633 APGNOWPPBFGVPO-JOCHJYFZSA-N 440.540 4.798 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC2CCCC2)cc1 1300286281 HFVDKGDZAWJUQI-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1300366383 JMJKZRCUHVAVFE-UHFFFAOYSA-N 441.913 4.562 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1CSC 1300746118 PGARTMXFGXDVEF-HNNXBMFYSA-N 441.453 4.950 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)c2ccccc2)CC1 1300877481 YCOLDSHUVJRIFO-CKUXNOBLSA-N 436.600 4.872 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1300901631 PTVTYABZFFUTJC-NFBKMPQASA-N 430.980 4.729 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1301189694 CXJVHYCIIKMTLU-VWLOTQADSA-N 440.595 4.951 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301212634 ZCSKPEJGRCNLBA-UHFFFAOYSA-N 443.020 4.652 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301226273 RSIDCMRJGKTLCE-LJQANCHMSA-N 444.004 4.831 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](CC)C1 1301241061 MLBNSVLFHSUQEM-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC1(OC)CCC1 1301278816 SCTKCMHXMNHOJS-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCN1CCC)C1CC1 1301320357 AJTUPBWRZSSJGG-SFHVURJKSA-N 444.421 4.737 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1)C(C)C 1301367883 VGLOPPLJTMNJEZ-VXKWHMMOSA-N 442.677 4.742 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)N1CCCCC1 1301390610 LIZLVQDKEDLHCO-UNMCSNQZSA-N 425.577 4.518 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1301390618 LMHHMNPPOPAJGH-QFIPXVFZSA-N 433.556 4.904 30 10 IJEE C=CCN(CC=C)[C@H](CNCc1cc(Br)cc(Br)c1N)C(C)C 1308198418 XCOMKLZRTQCCBD-QGZVFWFLSA-N 445.243 4.582 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCc3c(F)cc(F)cc32)cc1 1310195873 FHEGLLJBZUVZLQ-QFIPXVFZSA-N 425.479 4.978 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1ccc(Cl)cc1F 1312938698 ZRPXYJHTGLDGOB-RTBURBONSA-N 425.262 4.729 30 10 IJEE C=CCN(C(=O)c1ncc2cc(Cl)ccn12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352765670 ZOECPOOZQPVYPE-UHFFFAOYSA-N 439.884 4.852 30 10 IJEE C=CCN(C(=O)c1cn2c(n1)COCC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1355906890 NNZZQPUOQYNREB-UHFFFAOYSA-N 435.336 4.676 30 10 IJEE CC(C)(CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc2c(c1)OCCO2 1356125494 HDHSSLFJWBXKET-UHFFFAOYSA-N 442.515 4.616 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CCC2)ccc1Cl 1358407365 WADJQINLWPPZPK-INIZCTEOSA-N 432.973 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(C2CC2)CCC1 1358876132 CPAQHEMZRSTBCX-AWEZNQCLSA-N 431.353 4.885 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1358878960 IQBRLQXYJOJEPB-JTAQYXEDSA-N 431.584 4.605 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Oc2ccccc2)nc1 1358880952 WJYDFEKIFOLRHY-KRWDZBQOSA-N 444.926 4.687 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359052182 XBMPQBOPZPEWQF-DZFIZOCASA-N 445.430 4.617 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CCCCC1 1359078885 QTLHSSUKQOAPBE-UHFFFAOYSA-N 434.338 4.778 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCOC)CC1CC1 1359094434 AZMOMVFHIGOWSJ-LAUBAEHRSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(OC)c1 1359100057 WJEZJSZKQMKLBB-AUSIDOKSSA-N 442.604 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCO[C@H]1CCCC[C@@H]1C 1359108727 ALNUBJKVNLCXAS-RXVVDRJESA-N 427.549 4.851 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCOC(F)(F)F)CC1 1359160496 WNHCTEQHLAEYID-OAHLLOKOSA-N 428.430 4.640 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)c1ccccc1 1359195741 QXBXAUCQIOILIC-KRWDZBQOSA-N 442.489 4.572 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359211811 PHGQDJJBBYMMPW-XMSQKQJNSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN(C(C)C)C1 1359232344 RZJRZGZSBSQMAV-MOPGFXCFSA-N 432.012 4.814 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@H](C)C1 1359261380 GZBWGAVAEMZAIN-IFMALSPDSA-N 449.574 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC(F)(F)CO1 1359262247 MXLVLBFRWMFOCB-SFHVURJKSA-N 446.523 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1cccc(C2OCCO2)c1 1359263860 OCTVVGWBJWRXAE-UHFFFAOYSA-N 438.597 4.824 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCC(F)(F)C1 1359278901 KYULFTZVETYQPO-IBGZPJMESA-N 430.543 4.822 30 10 IJEE C=CCCn1cc(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)nn1 1435496878 HWRSSKJKPTVEOU-GFCCVEGCSA-N 446.374 4.540 30 10 IJEE Cc1cc(C2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)ccc1Br 1459985265 DOPCSVRQYSAFRK-MRXNPFEDSA-N 426.358 4.836 30 10 IJEE OC[C@H](CNCc1c(F)cccc1OC(F)(F)F)Cc1ccc(OC(F)(F)F)cc1 1461331176 HPIRZBYJLVYAMF-ZDUSSCGKSA-N 441.343 4.564 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(F)(F)Oc1ccc(C=O)cc1 1464716842 DFSUDAWWMPIXAJ-UHFFFAOYSA-N 442.231 4.587 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(Sc2ccccn2)c1 1464723845 XJCJAMGVULVFAW-QGZVFWFLSA-N 428.558 4.816 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1cccc(Br)c1C 1474263794 AHJYEUMNEIOVMG-UHFFFAOYSA-N 437.175 4.864 30 10 IJEE C=CCCC[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1 1477624682 CAJMAZLPSPUTFA-OAQYLSRUSA-N 443.613 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C 1478553117 UCDSZCRVLAQQMO-VDGAXYAQSA-N 429.561 4.542 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1507586325 ZLOZDHDZACVGEF-HXUWFJFHSA-N 440.897 4.542 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1csc(C(C)(C)C)n1 1507603866 ZFQWMOKIGOEQEV-INIZCTEOSA-N 441.576 4.623 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCC1CCC(OC)CC1 1507673412 UGPDFEXXYGMYHG-UHFFFAOYSA-N 448.611 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507680316 DCBAYXIMEHJWFC-UYAOXDASSA-N 446.542 4.847 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1507747496 HOLKIODZMIWZQI-OALUTQOASA-N 445.032 4.608 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)CCSC 1507806815 TVHFHHUARSARBS-JLMWRMLUSA-N 432.609 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCSC1 1507815836 LYFHIJOZKUIFBS-GOSISDBHSA-N 430.618 4.898 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(OCCN3CCCC3)cc2)CC1 1507896128 HHNQYHBUZYGWDD-OAQYLSRUSA-N 437.632 4.717 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1507912080 RSLAVSFNIOUDCB-HXUWFJFHSA-N 444.023 4.942 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1507916294 NSHOIYWPCBPWNK-SFHVURJKSA-N 444.576 4.916 30 10 IJEE C=CCCCCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507936581 DBZLNWJMJGMSMP-GLDPYIMESA-N 442.608 4.535 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1507960690 VJNYFZXBEOCDON-IBGZPJMESA-N 440.588 4.572 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1509945632 CPENIOIHAUQIDC-MPQSDHOMSA-N 443.567 4.718 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)c1 1517118145 XZOHLZKUUUOKPA-VWLOTQADSA-N 428.557 4.873 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CC(C)(C)N(C)c2cc(Br)ccc21 1520211463 GMUAHTADHWWPRE-UHFFFAOYSA-N 445.357 4.898 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C\c2ccc(I)o2)c1 1529648239 XCLWZMAUXOJGQW-LUAWRHEFSA-N 443.240 4.705 30 10 IJEE N#C[C@H]1CC[C@@H](NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1529660177 AOVPYBQUKCJRIJ-MAUKXSAKSA-N 435.325 4.724 30 10 IJEE C#CC[C@@]1(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 1531212894 HFCBAMRFEAUEMV-WNSKOXEYSA-N 447.482 4.829 30 10 IJEE C#CCN(C(=O)c1ccnc(O[C@H](C)CC)c1)[C@H]1CCOc2ccc(Br)cc21 1531554449 VDYJDJMNVUOOIL-BEFAXECRSA-N 443.341 4.621 30 10 IJEE C=CCc1cc(C(=O)Oc2cc(C)ccc2I)cc(OC)c1OC 1534132576 PJHJJTMVUGMCQV-UHFFFAOYSA-N 438.261 4.565 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2cc(C)ccn2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1537325766 RJCUCIRWNBFCCX-DEOSSOPVSA-N 444.531 4.985 30 10 IJEE CC1(C)CCCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)[C@@H]1C#N 1539316162 FRJBRHXEQCLOIK-HXUWFJFHSA-N 449.555 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1539662230 QMCJWVORWZOVJJ-YADHBBJMSA-N 447.631 4.654 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(CCOC)CC2)CC1 1539836731 XRKGPWWWDNWDFF-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1539953365 QNRIJUUXVYOHDJ-PKOBYXMFSA-N 431.531 4.576 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1539968477 ZRMNVKGIVPPMSH-PMACEKPBSA-N 443.636 4.841 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1c(CC)noc1C 1540128416 MJCWNKAYHMIRLR-UHFFFAOYSA-N 444.583 4.982 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2(COC)CCC2)C1 1540885436 IQIBSSJOKPCDDC-FQEVSTJZSA-N 430.980 4.587 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC(C)(C)O1 1542007917 GBTNIBVESIEOED-UHFFFAOYSA-N 441.988 4.974 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc(OC)c1OC 1543350920 IEKDZUMNEMVASP-FQEVSTJZSA-N 446.950 4.619 30 10 IJEE C=C[C@@H](C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1)c1ccccc1 1556219926 RAFVOUORAOIRGN-VQTJNVASSA-N 444.369 4.935 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 1557063858 BHXKCMDLTSXAFU-IZZNHLLZSA-N 426.516 4.755 30 10 IJEE Cc1cc(Br)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1562063585 FNMHFULCTKVQMK-UHFFFAOYSA-N 433.737 4.637 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C)c1 1562184076 KJVQHOUDOGNPPW-FQEVSTJZSA-N 432.524 4.666 30 10 IJEE C=CCN(CCC#N)C(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1569599542 CEKITVUPHYAMGM-VWLOTQADSA-N 443.547 4.718 30 10 IJEE N#CCc1ccc(COC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 1583540466 FWHXRMWKCWQMOE-UHFFFAOYSA-N 436.577 4.898 30 10 IJEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3sc4c(c3C#N)[C@@H](C)[C@@H](C)CC4)c2C)n1 1584024185 BPBVAQPHFLVOCA-WFASDCNBSA-N 448.596 4.696 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCC2CC2)ccc1Cl 1584939584 DLVBYSZFAIGBSK-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1587488158 LTTJBRDLBZJFMX-LUFKIMSYSA-N 447.664 4.691 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1ncc(CC)s1 1587575170 QSPRMZJMQXQVGF-QGZVFWFLSA-N 430.581 4.521 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1csc(C(C)C)n1 1587916037 ZBVWONFGRKHNMV-IBGZPJMESA-N 437.613 4.927 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCCS1 1588445269 JGLDNNJQMIAYOE-XMMPIXPASA-N 426.630 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC(C)(C)COC 1589163805 MYFSQEPWCYHLGK-AREMUKBSSA-N 446.599 4.780 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C1CCC(C)CC1 1593703336 IGZXGRWTPAQAJF-UHFFFAOYSA-N 434.588 4.943 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2CC[C@@H]21 1593711704 HYKSVMJMCRCPAU-CABCVRRESA-N 437.407 4.741 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2CCN(C(C)=O)CC2)CC1 1594063788 DHLRMMXOCWKFRV-UHFFFAOYSA-N 448.398 4.667 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1594083230 JAVCEVUTEDSISB-UHFFFAOYSA-N 430.556 4.592 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 1594455463 QPOQZDDHXQHQJF-JOCHJYFZSA-N 437.632 4.727 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@@H]1CC 1594793093 GGJYULJDIDQUNY-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C)c1 1595166579 VFHDYRWJWASWOP-UHFFFAOYSA-N 432.597 4.751 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCCO1 1595244073 QUIJLGGAHVCZAC-OAQYLSRUSA-N 426.948 4.996 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC=C(C)CC1 1595854415 AJHZXAFTFKVCLA-UHFFFAOYSA-N 449.418 4.792 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1595896117 UZYPXEAIWJTLTD-LJQANCHMSA-N 428.646 4.864 30 10 IJEE CC(C)(Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)c1cccc(F)c1 1597765904 GWWORBFULSUXDP-NRFANRHFSA-N 425.552 4.767 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1615332918 VQVXPJYMYLPOPA-HXUWFJFHSA-N 427.548 4.755 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(C)C 1615883774 FJRBJYXVYCIGRR-HSZRJFAPSA-N 443.035 4.633 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC(C)(C)C1 1620260913 CEYVHZMARJPHSN-IBGZPJMESA-N 440.661 4.517 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CCCC2)cc1C(F)(F)F 1621653562 CTLARAPPHUWDLH-UHFFFAOYSA-N 426.435 4.506 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c1 1621944072 FVXSJKDLCIVMCF-GOSISDBHSA-N 447.398 4.744 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1OCc1ccccc1 1626069273 XQVALZSHSVTZLQ-GOSISDBHSA-N 431.920 4.635 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cc(Br)ccc1OCc1ccccc1 1626744773 JYBUGZNCMRMCSQ-UHFFFAOYSA-N 431.374 4.608 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccccc1 1627430519 XRVNCMZWRPVPCP-PMERELPUSA-N 434.546 4.849 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](OCC)C1 1629545196 FCNGDKKCWNTIOA-HHJKRLRDSA-N 448.563 4.544 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccc(Br)cc1 1631208064 LGWWZKDZZSNWGN-RDTXWAMCSA-N 431.330 4.509 30 10 IJEE COc1ccccc1Nc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1631461448 DUANVIJVKSPGFG-UHFFFAOYSA-N 426.520 4.709 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1637513969 HPIWPPMEPYPWCF-ZWKOTPCHSA-N 435.524 4.820 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Br)cc(Cl)c3O)s2)cc1 1648427100 AIURAPFNYGDOBX-UHFFFAOYSA-N 448.729 4.979 30 10 IJEE N#Cc1cnc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)c(Br)c1 1650636603 CPVZGWRMJJXZRY-LJQANCHMSA-N 439.382 4.989 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)ccc1OC 1662499103 PCFKFLMKILMELC-LJQANCHMSA-N 439.506 4.896 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2Cl)CC2CC2)cc1 1665969922 UAZZGBNODYWIEV-UHFFFAOYSA-N 447.988 4.591 30 10 IJEE CCOc1ccc([C@@H](C)NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)cc1OCC 1666391632 DDJFVLHRVVWDTF-OAHLLOKOSA-N 444.578 4.918 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)CC1 1668175274 ULQLRQXSYSQKQK-UHFFFAOYSA-N 433.980 4.680 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3nnc(-c4ccccc4)s3)cc2)nc1 1668478454 AUMSQOLJOHLGEG-UHFFFAOYSA-N 428.477 4.586 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H](C)c1ccccc1C(F)(F)F 1670651761 HZTFHFZRZHSWFR-WSTZPKSXSA-N 444.501 4.617 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccccc1 1679189360 DDGCOZXYKJCWKP-RTWAWAEBSA-N 426.358 4.800 30 10 IJEE C=CC[C@@H](CC)NC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 1682086625 FJKXOXURTXOXEA-CQSZACIVSA-N 434.300 4.654 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1)c1ccc(F)cc1 1682479288 BHUAPYBYYDVSPG-XMMPIXPASA-N 434.467 4.809 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1)c1ccc(Br)cc1 1683512925 SKWKOAPFKBCCPC-LEWJYISDSA-N 441.369 4.903 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 1686920401 XCKSLBGIUMCZAT-REWPJTCUSA-N 439.600 4.820 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1689895074 IJVOWBUORAEWLD-UHFFFAOYSA-N 445.652 4.754 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1689922356 KLBISJBJASTCDQ-OAQYLSRUSA-N 440.035 4.960 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1689935885 WWMYYIZIECJEOQ-AREMUKBSSA-N 447.671 4.815 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2CC)n1Cc1ccc(-c2ccsc2)nc1 1689974964 FJGPAUJUKOFJON-UHFFFAOYSA-N 443.576 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(CC)C1 1690243005 GIMMKIGXKNCIHU-KPDCDPCYSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)(C#N)CC1 1690251533 WHBWSYOHKPRHLH-QPPBQGQZSA-N 449.599 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC)CC1 1690252478 FHQCEWFWOBPNSS-XXBNENTESA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1690292831 WETUIMPVCSDVIJ-OAQYLSRUSA-N 435.641 4.974 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccnc(C(F)(F)F)c2)CC1 1690377753 OZALTAJOLFUIFR-UHFFFAOYSA-N 427.474 4.796 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(C)CCCS2)CC1 1690414653 FPHWERKPFHMYGF-XMMPIXPASA-N 426.630 4.760 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1690430234 GKOPQDHDRHRHEX-QGZVFWFLSA-N 445.995 4.503 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690451401 FXJGDORSTQLSEF-DHIUTWEWSA-N 435.616 4.768 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690467645 DKPNBLPNFPLZIN-CRAIPNDOSA-N 426.458 4.987 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@H](SC)C(C)(C)C 1690570204 ZDIWLHGNDPOFPK-FQEVSTJZSA-N 440.592 4.845 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCCO1 1690605404 IPOFKXGYCDZNND-OAQYLSRUSA-N 426.948 4.996 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCSC(F)(F)F)C1 1690691710 KMNPWIQOZSGTTA-MRXNPFEDSA-N 449.502 4.528 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=C)Cl)C1 1690711952 LDLQKQCHEFKXHL-FQEVSTJZSA-N 430.980 4.688 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1nc(C2CC2)cs1 1705483236 QFXANHCLJMOQJJ-NSHDSACASA-N 448.415 4.609 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(OC)c1 1705607022 NRISEZJIKCZAHP-GOSISDBHSA-N 434.609 4.842 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1 1705696712 IGTMNAJJDVNTPZ-CTNGQTDRSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(F)(F)F 1705700566 VSMTZWVYMJBWRD-APWZRJJASA-N 447.461 4.580 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 1705741575 TUAGYOGICCZFED-PZJWPPBQSA-N 437.632 4.882 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705813349 DTAKTQPDZOYWAF-GOSISDBHSA-N 429.977 4.908 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1CCC(OC)CC1 1705862283 FAAYGSBKLMAUJP-UHFFFAOYSA-N 437.563 4.821 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@](C)(CC)O1 1705863181 KINSOYZUKDANQN-ZEQKJWHPSA-N 448.615 4.680 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCC2)nc1 1705864218 UVZWEFJTWQDWCE-UHFFFAOYSA-N 436.629 4.873 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC=CO1 1705871413 JEUDRADUZDHWEZ-GOSISDBHSA-N 429.362 4.887 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1705947344 IMQALUYOLDXBBH-VQTJNVASSA-N 444.620 4.570 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1 1706908658 FLSNAGBFUHEHAL-JXFKEZNVSA-N 429.565 4.583 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]1C(C)C 1722327612 RDAKUIAGIAURRI-SFHVURJKSA-N 431.378 4.754 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCSc1nccs1 1722408208 YOELBUZTZNSQKL-UHFFFAOYSA-N 437.638 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(S(C)(=O)=O)CCC1 1722501735 JGLXKKUGWMCKDQ-UHFFFAOYSA-N 444.645 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1722502069 HWXAOXACIUFFGH-DVECYGJZSA-N 440.588 4.777 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccnc(SCC)c2)CC1 1722580662 XDJIQRDOWVAELN-UHFFFAOYSA-N 425.627 4.888 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(F)(F)F)CC1 1740763562 MRCYPYRPIDQGLV-APWZRJJASA-N 440.535 4.690 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)c1cccc(F)c1 1740772629 MYJCPIKAEJJHOZ-UHFFFAOYSA-N 439.535 4.525 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](c1ccco1)N(C)C 1740773031 SIOPIAVPFTTZGU-OAQYLSRUSA-N 446.555 4.898 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccsc1)N(C)C 1740775074 MCDASKYNYGSPBC-OAQYLSRUSA-N 427.593 4.775 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H]2c2ccc(OCC)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1740785109 KMJZEGCRNSPJDD-WIOPSUGQSA-N 440.588 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](OCC(C)C)C1 1740846886 PDQIWVFNLGSQQT-FQEVSTJZSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCOC2)C1 1740851791 CNADCKYPDLHORO-QHCPKHFHSA-N 430.980 4.730 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC2(CCC2)C1 1740884134 QJXQBNAWRUHIAB-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1740903761 KFDKUWQHGDKXTH-IBGZPJMESA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1C[C@@H]1CSCCS1 1740915876 WKOOLJNNSJQNFN-FXAWDEMLSA-N 432.659 4.841 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749251579 GZKRLJKBUWMQAU-OTWHNJEPSA-N 448.970 4.953 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749296625 PPYMUHKTIUHLIP-VXKWHMMOSA-N 437.632 4.868 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC(C)(C)C1)c1ccccc1 1749383700 DSESKISBRXMARC-VJBWXMMDSA-N 438.616 4.988 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1749385841 UTUYOHZIFBDZLL-HSZRJFAPSA-N 435.616 4.648 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1cccs1 1749449883 XAIUUENLYFUYTK-KRWDZBQOSA-N 429.977 4.989 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCSC1(C)C 1749486953 KXXAHDRVMQEWTO-ZWKOTPCHSA-N 449.665 4.547 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCOC[C@H]1C 1749499297 TWOWHAUGORBYCN-RTBURBONSA-N 432.996 4.546 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H](C)C#N)C1 1750830278 BGCPEOOUTAZIGC-RTBURBONSA-N 429.012 4.562 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1760159153 XUCRVIGJLJVPTH-DHIUTWEWSA-N 436.600 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)C1CCCCC1 1760226284 AOBYDQCXQRLUJD-IQGLISFBSA-N 440.657 4.922 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCc1ccccc1 1760287051 DPUOMGJKAWUJEX-FGZHOGPDSA-N 440.657 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1nc(C(F)(F)F)cs1 1760295849 JUAFNQQKCFCUQP-OAQYLSRUSA-N 445.514 4.693 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCC(C)CC1 1760340924 SYAWIYXNFHFHGP-HXUWFJFHSA-N 429.584 4.519 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2Cl)CC1 1760359258 KTEXFMQHIIXWRY-UHFFFAOYSA-N 444.023 4.584 30 10 IJEE C=C(Cl)Cn1c(N(CC)Cc2c[nH]c3ccccc23)nnc1[C@]1(OC(C)C)CCOC1 1760386685 GMQVGFFZJFAKOS-QHCPKHFHSA-N 443.979 4.579 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)C(C)C)CC1 1760398949 SSKAFQQLYVYQKD-JOCHJYFZSA-N 447.421 4.825 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1760406057 QGYZEMCLFGZZJL-TZIWHRDSSA-N 426.630 4.954 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(C)C)C1 1760409417 UDZJXEPNXSSXCD-FQEVSTJZSA-N 444.645 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760415244 RZHXNUAMSRSFCH-LJQANCHMSA-N 426.605 4.678 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCc1nc(C(C)(C)C)cs1 1760468386 SBOGFVFBZQLNKT-UHFFFAOYSA-N 429.565 4.615 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H](SC)C(C)(C)C)C1 1760545096 NJOSLSZZCBEREB-LAUBAEHRSA-N 439.629 4.985 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1760564836 IRVJYFBCGBWVBU-QFIPXVFZSA-N 425.646 4.566 30 10 IJEE CC(C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761064164 XMSWLCXRYONVCE-UHFFFAOYSA-N 436.947 4.570 30 10 IJEE C[C@H]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 1762790756 HKNRZRIMJKIMCW-UNMCSNQZSA-N 434.632 4.811 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCCC(F)(F)C2)C1 1770730651 BSUHDWXORZUEAH-IERDGZPVSA-N 435.469 4.666 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3ccccc3Cl)n2)c1 1772723846 KESNXUNPMMIFLY-UHFFFAOYSA-N 449.001 4.940 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)cc1C(=O)O 1857890318 RDTOOYBBOPNXIV-UHFFFAOYSA-N 448.947 4.886 30 10 IJEE CCOc1ccc2cc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)oc2c1 1859750307 VSHRYWBOYDWURL-UHFFFAOYSA-N 437.459 4.998 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc2nc(C)[nH]c2c1 1861453387 GKTJRAYKFDXCAB-NRFANRHFSA-N 446.661 4.980 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2Cl)cc1C 1862403382 UPGLKXPCQCLLSO-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1862445984 IKKGIYPAHWQBHJ-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862503900 HWSXKDPNFREHOZ-JOCHJYFZSA-N 430.435 4.987 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(Cl)c2)cc1OC 1862569713 SRPFEDGGFHBQSY-HXUWFJFHSA-N 429.900 4.592 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1F)c1cccc(O)c1 1862590063 AJPSOOQCFPFXAG-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862617772 JIZPRHYLTXNROB-FQEVSTJZSA-N 427.928 4.862 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862646108 XTYWOTBVBJTLHS-JOCHJYFZSA-N 440.515 4.669 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2C)c1 1862698618 KXKBXBSQYZYYKI-XMMPIXPASA-N 445.490 4.964 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)c1 1862713464 PJDWDWLFIGDCSE-DEOSSOPVSA-N 429.516 4.889 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc4c(O)cccc34)C2=O)cc1 1862768066 VTPKRMOWLRGYCF-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3c2CCCC3)=C(c2ccc(F)cc2)C1=O 1862776903 LZXJANANJQNRDG-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1C 1862874400 BOLRVUAMTGMPSL-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE Cc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)c1C 1862939077 VDGGOYYDBNKJMY-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccc(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862963256 TVHJZSHOQMFKGZ-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccccc2F)C1=O 1863293422 QEAVCAUBPKIBJM-UHFFFAOYSA-N 428.463 4.783 30 10 IJEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868238278 NCMFDCUXOBLOBP-QHCPKHFHSA-N 442.542 4.774 30 10 IJEE Cc1ccc(C(=O)CCC(=O)Nc2c(C#N)nnn2-c2ccc(Cc3ccccc3)cc2)cc1 1870144026 LEUFDXLHRUBIMP-UHFFFAOYSA-N 449.514 4.640 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(C)C)cn1C[C@@H](O)c1ccc(Cl)cc1 1870353578 XADOFTXCKPNYCT-XMMPIXPASA-N 445.003 4.834 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1ccccc1CC 1871165696 FSUGKJHNLGEZSB-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE CCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O 1871385486 VKCSZOAATAKRTL-NHDPSOOVSA-N 426.465 4.733 30 10 IJEE CC(=O)c1sc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)nc1C 1871434485 UPFCWMPHUAWMOA-ODLFYWEKSA-N 448.500 4.596 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 1871871587 OVQVSMNRJHCEPX-QGZVFWFLSA-N 426.991 4.632 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872259042 VZHYEQJBQVJBSR-INIZCTEOSA-N 438.952 4.690 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)cc1 1872567719 RHDUZLFKUQPVRP-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccccc2)C1=O 1873161882 VFMSXWDJMJNPQT-UHFFFAOYSA-N 427.633 4.839 30 10 IJEE COc1ccc(Cc2nnc(SC)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1OC 1874236826 BYAQECNGIKMPMM-SSDVNMTOSA-N 437.352 4.797 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(C(=O)O)cc1 1874250242 YGYNOJQQKBEZDF-LFVJCYFKSA-N 438.553 4.681 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(Br)c1 1874262774 PWFNNFQDYHYZGD-KEBDBYFISA-N 437.750 4.877 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874342657 BNCIFLPIXJAEPK-ZMOGYAJESA-N 442.972 4.793 30 10 IJEE Cc1ccc(Cc2nnc(SCCO)n2/N=C/c2ccc(Cl)cc2Cl)cc1C 1874360536 LMKQTPINIROIFP-FSJBWODESA-N 435.380 4.759 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2)c1 1874465692 WIHZTCFBLLODID-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccc(F)cc1 1874477475 BTJZWZWKNXBMGN-MFKUBSTISA-N 439.560 4.935 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(F)cc1F 1874488669 DBMXDPRLERXVCL-OPEKNORGSA-N 447.486 4.507 30 10 IJEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCC(=O)Nc1ccccc1F 1874488851 MFPVWQQRCJDAKX-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1cccc(F)c1 1874488955 RYJUXGGNMXVFGR-AFUMVMLFSA-N 439.560 4.791 30 10 IJEE CCCc1nnc(SCCCO)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874510596 QMPDOQCSYFJLDR-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2Cc2ccccc2F)cc1OCc1ccccc1 1874561914 QSNQEIABLOKXRW-CVKSISIWSA-N 448.523 4.767 30 10 IJEE C[C@@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 1874597238 AXLOHDBOEXPMJY-NCUBBLFSSA-N 429.472 4.568 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccccc2)c(Cl)c1 1874610162 DNZNNRCRLWSNJU-ACCUITESSA-N 435.907 4.940 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC 1874630754 SDXZZTFZCGXHHV-CSKARUKUSA-N 426.509 4.939 30 10 IJEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] 1874632799 VKRVCWOLCICXEA-JXMROGBWSA-N 427.453 4.862 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)[C@@H]1CCCO1 1875182068 LIRUEQQRGAEKTC-IEJURRBGSA-N 430.884 4.646 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1991570814 FYAXFKWJDYGLHS-LIRRHRJNSA-N 435.487 4.715 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2038636546 FFTFYNOSBSLWSP-VXKWHMMOSA-N 448.568 4.997 30 10 IJEE C[C@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@@H](C)N1C(=O)OCc1ccccc1 2054429183 TYSXRDIXZAKRPS-GASCZTMLSA-N 446.320 4.696 30 10 IJEE C=C(c1ccccc1)[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076572254 IFCQDIXABWYCEX-XMMPIXPASA-N 435.612 4.977 30 10 IJEE C[C@H]1C[C@H](CNc2cc(Br)cc(F)c2C#N)CN(C(=O)OC(C)(C)C)C1 2115930614 ZOLCYQJJWFVSLZ-QWHCGFSZSA-N 426.330 4.765 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2C#N)CC1 2181106915 BHLPXYWVMJMWEV-CJNGLKHVSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCC1)C(=O)Nc1cc(Br)ccc1C#N 2181108597 USYNEOFKSGXFSR-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3cccc(Br)c3C#N)CC2)C1 2193611393 XWBPNKPASNLDDU-MRXNPFEDSA-N 434.378 4.794 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#Cc1cccc(Cl)c1 2212453067 PCVNOGCVMUSTMJ-MTNREXPMSA-N 428.960 4.517 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCCCN1C(=O)OC(C)(C)C 2235729075 MHRMETZYEMEWFH-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C(C)C 2235731963 QRPXMDVQWBEIJF-LRXVAGHRSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](N)(C#Cc2ccccc2Br)C12CCCC2 2235733013 SXWWUWXRPQJDCL-OAQYLSRUSA-N 433.390 4.842 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2(COc2cc(Br)cnc2C#N)C1 2239191254 GJQQNJJYAILWTR-VBKZILBWSA-N 436.350 4.522 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@@H]1C#N 2243918233 CRUJWMVKRYRFIB-XYHYBEPMSA-N 445.563 4.748 30 10 IJEE CN[C@@H](C#Cc1ccccc1Cl)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2252755544 ZTWPJIUWIRPEPK-VXKWHMMOSA-N 442.987 4.780 30 10 IJEE C#CCN(CC(=O)Nc1cc(Cl)c(Br)cc1Cl)C(=O)OC(C)(C)C 2252881128 SRXJWRAFEVEDOO-UHFFFAOYSA-N 436.133 4.565 30 10 IJEE CC1(C)OB(c2ccc3nc(OCCCOCc4ccccc4)sc3c2)OC1(C)C 2253369211 DGBDBECYAQPCEH-UHFFFAOYSA-N 425.359 4.581 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)cc1 2267820667 XKTPPXCULBSBPK-UHFFFAOYSA-N 439.365 4.683 30 10 IJEE CN[C@H](C#Cc1ccccc1F)c1ccc(I)c(Br)c1 2281370013 DTPCVQAPRICWNM-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2282697575 RSWDMAXHWSMCCE-QFIPXVFZSA-N 449.400 4.504 30 10 IJEE C=CC[C@@]1(COc2nc(Br)ccc2OC)CCCCN1C(=O)OC(C)(C)C 2287836691 AXCYUZBZNRRHCI-FQEVSTJZSA-N 441.366 4.967 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)C#Cc3ccc(Br)cc3)cc2C1 2296227904 UFOBEXRDJKDOCI-UHFFFAOYSA-N 426.310 4.934 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CN(CCC(F)(F)F)C(=O)OC(C)(C)C 2296293486 KBGIWMCHXBXIDR-INIZCTEOSA-N 449.311 4.578 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2296300786 MMLCOILXNOPHRQ-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)C=Cc3ccco3)cc2)cc1 2297557618 YQQKAELBWXVKDG-UHFFFAOYSA-N 445.471 4.629 30 10 IJEE COc1ccc(CCNC(C)=CN=C2NC(=Nc3ccc(F)c(Cl)c3)S2)c(OC)c1 2297616579 BHKZTZHXKMZDFZ-UHFFFAOYSA-N 448.951 4.870 30 10 IJEE CCS[C@H](C)C[C@H]1CC(=O)C(=CNc2ccc(Cl)c(Cl)c2)C(=O)[C@H]1C(=O)OC 2297624167 UXXDMMKKPZYWAB-SOZUMNATSA-N 444.380 4.768 30 10 IJEE CC1(C)OB([C@@H]2CCN(Cc3c(Br)cccc3Br)C2)OC1(C)C 2303158711 NNVBHKBQAQRWRN-GFCCVEGCSA-N 445.004 4.880 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 2314478644 VUXWMQPMSJEXCF-QHCPKHFHSA-N 447.922 4.605 30 10 IJEE CCCCC#CC[S@@](=N)(=O)c1cc(I)ccc1Br 2316462882 MTIIEMODBYJVKT-GOSISDBHSA-N 440.144 4.653 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)c(OC)c1 2321937144 JCCJWJGCYJGLPH-UHFFFAOYSA-N 443.499 4.715 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)c1 2323068378 CSZWUJDFKCZQMV-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 2323379464 APBWVBVSDRYECE-UHFFFAOYSA-N 445.427 4.758 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O)C(=O)Nc1ccccc1 2324400473 HYXJEYXOXJPRMV-KRWDZBQOSA-N 428.488 4.775 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c1 2324472504 PTCLOWWSLZYBAF-QGZVFWFLSA-N 426.444 4.995 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(OC)c(OC)cc1OC 2325547067 GDZZRDOBVHZMFO-UHFFFAOYSA-N 440.569 4.739 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)c1OC 2325714937 DKKCCTBGHPGFEL-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CC(=O)Oc1ccc(C=Nn2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 2326513706 HFUQGIXRIQOTHT-UHFFFAOYSA-N 435.336 4.993 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(OC)cc1 2326797751 TVEZRGCBMYFMMY-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccs1 2329523069 AZSJAOGZMARBAK-UHFFFAOYSA-N 433.990 4.503 30 10 IJEE CCCNC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2330184932 TYWIQKYVVGSXGN-UHFFFAOYSA-N 449.624 4.687 30 10 IJEE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 2330492865 CZSIWBSBDFLKFI-DEOSSOPVSA-N 443.934 4.981 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccnc2)cc1 2330643020 FZZULXVADKPVRU-UHFFFAOYSA-N 442.548 4.516 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2[C@@H]2CCCO2)cc1 2330893049 KSYHLWZMJFBQAG-NRFANRHFSA-N 449.580 4.668 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)cc1OC 2331123706 JECVBDOGJFMQCF-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C(=O)OC)cc1 2331328735 GLEOGXNCHSWTKK-UHFFFAOYSA-N 426.517 4.721 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1c[nH]c2ccccc12 2331500176 JGHHBDHCUJIHSM-UHFFFAOYSA-N 444.564 4.948 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2331527805 ZQMRXZZCRCZLEQ-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE N#CCc1cc(Sc2cc(I)ccc2Br)ccc1N 2338407487 BBPHVJUAKQRZOZ-UHFFFAOYSA-N 445.123 4.853 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339573969 AQKAVCDKTUBYCK-KOSVWKSTSA-N 444.381 4.941 30 10 IJEE C=CCC1([C@@H](N)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2339693505 JCYKRRVPJPRWIY-KRWDZBQOSA-N 425.367 4.579 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](COc1cc(Br)cnc1C#N)c1ccccc1 2360274082 MGGWWFCYJFYBHZ-KRWDZBQOSA-N 432.318 4.703 30 10 IJEE CN(c1ccc(C#N)c(Br)c1)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2365498225 MNHSFKICVPPHOV-MVVMVCHASA-N 434.378 4.793 30 10 IJEE C#CC[C@H](C)C[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703335 BQOJQNIURBTJJG-ONGXEEELSA-N 426.703 4.588 30 10 IJEE COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)cc2)CCC(=O)N1c1ccc(C)cc1 15326632 BZOGXQPKCDATJE-JYFHCDHNSA-N 439.515 4.998 30 10 IJEE Cc1sc(NC(=O)[C@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C#N)c1C 40175183 QZBNFHSSFOKVDN-INIZCTEOSA-N 445.548 4.554 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)COc1ccc(C)c(C)c1 40844472 XOXMFWGQKBMOET-UHFFFAOYSA-N 442.467 4.759 30 10 IJEE CCN/C(=N\c1cccc(C(F)(F)F)c1)S[C@H]1CC(=O)N(c2cccc(C)c2)C1=O 59446557 AVTKTUPUCKHSPX-KRWDZBQOSA-N 435.471 4.676 30 10 IJEE C=CCOc1ccc(NC(=O)CNc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 66109063 BEQKIPDZJKCXLB-IBGZPJMESA-N 429.520 4.793 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 103112604 NFNKNBQKPDQISE-SADKCHQCSA-N 442.496 4.931 30 10 IJEE CCCOc1ccc(/C=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1OCC 169894881 RTHGWVZFHWFXQE-OYKKKHCWSA-N 426.904 4.519 30 10 IJEE COc1cc(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)ccc1OCc1ccccc1F 169897006 AMESRJCANGJAGY-DICXZTSXSA-N 444.466 4.610 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cn(C)c3ccccc23)cc1 170084472 HEHKKLDFSYZJJK-QHCPKHFHSA-N 426.472 4.858 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccs1 170161600 PKLTYAYOOOVGJH-NRFANRHFSA-N 435.501 4.857 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)c1 170169178 RGZPKYXEHCRFAL-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)cc1Cl 170169786 WTTOMNCMPVPHTH-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)c1 170190286 CEUFFQKWUPNRIF-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccncc2)cc1C 170202438 WSCZJNLLYLLHGU-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cccc(OCC)c1 170217898 WMSJFGQTISMHOZ-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 170248190 NJCSKKJJWJRKSD-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)cc1C 170256946 RDWSUCOWMOBHPX-NRFANRHFSA-N 435.501 4.549 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C)cc1C 170274250 PZJNQZMOEDBKDX-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccccc1C 170276996 MHHPVUNHMRWDFM-HXUWFJFHSA-N 429.900 4.654 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1)c1ccncc1 170339772 YAHLGGMZPBYNQN-LJQANCHMSA-N 441.270 4.877 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCCO3)cc1 170390745 GNJOBXUEGWNLPB-XMMPIXPASA-N 441.483 4.803 30 10 IJEE COc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)cc2)cc(OC)c1OC 170436715 GHPDDHHUESSZHU-FQEVSTJZSA-N 439.508 4.536 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(OCC)c(OC)c3)C(=O)N2C)cc1 252608686 HMVSIQGQZMLRNC-KWKLDLJFSA-N 440.521 4.504 30 10 IJEE N#Cc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc2ccc([N+](=O)[O-])cc12 301391646 BBOFKQIFJXFOAQ-IBGZPJMESA-N 429.263 4.899 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1CCC 407030150 TYLOKRIHINWTMA-SJORKVTESA-N 443.430 4.956 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2ncccc2C)n1C[C@H]1CCCO1 461067271 OUSXKECFNFHHGW-MRXNPFEDSA-N 429.977 4.735 30 10 IJEE CC(C)Cn1ncc2cc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cnc21 505354904 ANKYGQOKQQWWBX-XMMPIXPASA-N 439.519 4.661 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](c2ccsc2)C1 508831649 FSKRLDHISXNVBE-QGZVFWFLSA-N 449.349 4.672 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccc2OC)c1 526519773 FAGRPIOTWDMPSF-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1[N+](=O)[O-] 526815577 DBEUIMBNYIHKLA-JJFYIABZSA-N 431.905 4.803 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Br)c2)nnc1N(C)Cc1cc(C)on1 555254981 ZWEAHLXMHKZCII-OAHLLOKOSA-N 446.349 4.690 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)c3ccccc3OC)CC2)c1 585821747 OTZSJDMVNRKFOQ-UHFFFAOYSA-N 435.568 4.567 30 10 IJEE CCCOc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 585825837 LRQNDWIMESVRFR-JTAIHKRISA-N 441.959 4.653 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(Cl)n2)cc1 586256285 SVCKNCOZFDFPTA-UHFFFAOYSA-N 441.940 4.789 30 10 IJEE CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(CC)cc2)cc1 726571039 AYHZDRJGPMWPTI-UHFFFAOYSA-O 446.596 4.996 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2csc(-c3ccccc3Cl)n2)CC1 727562756 FQTDTPSPARWXRD-HEOKHYPTSA-N 445.972 4.940 30 10 IJEE N#Cc1ccc([C@@H](OC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)C(N)=O)cc1 734555677 BWXKNHMXFHGSJV-MUIAGPEESA-N 434.854 4.661 30 10 IJEE CC(=O)c1ccc2c(c1)CCN(C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CC2 756700994 QAFWBKDFBKBUNF-UHFFFAOYSA-N 429.545 4.800 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)cc1 762441526 TYEXOCJWTBRACJ-UHFFFAOYSA-O 437.548 4.920 30 10 IJEE N#CCCn1cc(C(=O)COC(=O)CCc2cccc(C(F)(F)F)c2)c2ccccc21 766769063 GLTIGKUYHHKAPX-UHFFFAOYSA-N 428.410 4.932 30 10 IJEE C/C(=C\C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 778111212 RKZKWULKXIMMCB-OBGWFSINSA-N 427.470 4.783 30 10 IJEE C#CCOc1cccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)c1 788211160 WBOHVJMCJOLJMM-IBGZPJMESA-N 443.931 4.650 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 802576719 DNQQQCTZGDFNGD-QUCCMNQESA-N 441.576 4.730 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1)Nc1cccc2ccccc12 1084113235 WLMITOPHKJGISA-UHFFFAOYSA-N 436.928 4.788 30 10 IJEE O=C(O)c1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1Cl 1084626651 DGUJHFOLFATLEK-UHFFFAOYSA-N 430.760 4.561 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1125652578 BXUMCMQELVTRBR-XMMPIXPASA-N 440.609 4.618 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCC2(C)C)c1 1128728362 VNHGFVAEWRHBPO-FQEVSTJZSA-N 432.973 4.640 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)c1ccccc1 1133167583 AWDSQWNYAFLXDC-GOSISDBHSA-N 436.371 4.680 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 1134862077 OFDNOZIQVONAPZ-GDLZYMKVSA-N 444.607 4.673 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)CCCN1C(=O)OC(C)(C)C 1155683903 ARIIDXMFOYUYPD-MZNJEOGPSA-N 445.629 4.684 30 10 IJEE C#C[C@@H](NC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1)C(C)(C)C 1160297758 MKBLDUHOQLGQPS-RUZDIDTESA-N 444.575 4.812 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1C 1167553672 HGIGTALEUQXQIY-MUUNZHRXSA-N 444.623 4.538 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@]2(C)Cc2ccc(C(C)(C)C)cc2)c1 1171815847 XIAHZJMZCLQRCK-HHHXNRCGSA-N 431.580 4.711 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCCC3)C(=O)OC 1188113993 CMTWWDAWYJNXQF-QGZVFWFLSA-N 440.590 4.763 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](c2ccccc2)C(F)F)n(-c2ccc(F)cc2)c1C 1194550836 BRGZJOSBPVGEEX-OAQYLSRUSA-N 426.442 4.639 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC)c1ccc(F)cc1 1204430183 MXERVNLTCWPKST-GOSISDBHSA-N 442.441 4.747 30 10 IJEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccc(C(C)C)cc1 1209717078 PVPSILBTHQXECS-HXUWFJFHSA-N 448.382 4.720 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c(Cl)c1 1209898413 YFMCCRMNGVKFMS-OAHLLOKOSA-N 446.776 4.995 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3CCCN(CC4CC4)C3)c2)cc1 1214718886 DTNPSFGIQBMPTM-HSZRJFAPSA-N 432.568 4.575 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@H](c1ccccc1)c1ncc[nH]1 1219084617 SSSDGXZDPFCZOO-LJQANCHMSA-N 441.329 4.990 30 10 IJEE C#CC[C@H](NC(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1)c1ccccc1 1224389170 RBGKXFCGHABENU-QHCPKHFHSA-N 440.547 4.806 30 10 IJEE C=CCOc1ccc(CNC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc1 1228137992 KNDXWXAWRQSCMV-UHFFFAOYSA-N 429.358 4.887 30 10 IJEE C=C(C)CCC(=O)Nc1cc(-c2cc(OC)c(OC)c(OC)c2)sc1C(=O)OCC 1264271265 XYQKKDRKVCYZGW-UHFFFAOYSA-N 433.526 4.912 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)cc1 1272015170 MHODPEROCWWYGJ-JOCHJYFZSA-N 430.589 4.979 30 10 IJEE C=CCn1c(SCC(=O)NCC(F)(F)c2ccccc2)nnc1-c1ccc(Cl)cc1 1274681588 ZXDXWQOHEOMMEU-UHFFFAOYSA-N 448.926 4.785 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 1275390411 YIWJOWCQLDCFBA-UHFFFAOYSA-N 428.286 4.988 30 10 IJEE C#C[C@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1F 1275497587 FSMAAUQBRPZUJW-PMACEKPBSA-N 449.751 4.869 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1286317127 JQFXNHNQWVLBKB-APWZRJJASA-N 441.988 4.825 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cccnc1OC1CCCC1 1286363600 PKZKTGJMLHLCPS-QHCPKHFHSA-N 429.568 4.654 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCC(C)(C)COC 1286436334 DZQYXXVESZCZDL-UHFFFAOYSA-N 433.394 4.620 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOCC 1286534480 USFQRXNFXJVJQK-ZDUSSCGKSA-N 439.423 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCCCC1 1286567621 RTBVIHDPQKLYCG-PGRDOPGGSA-N 430.980 4.872 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1286587444 JJDLRZQIVHBFIA-QUCCMNQESA-N 435.572 4.789 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](c2ccco2)C1 1286600588 ORGUHXCGHDVJEQ-RTBURBONSA-N 440.519 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286667233 IGQNPVFNSCRSRI-OAQYLSRUSA-N 434.588 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286667369 KJZHFNVZWRCVDJ-NRFANRHFSA-N 448.615 4.550 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1286704518 WGIFVQFDFDIFST-LAUBAEHRSA-N 442.560 4.990 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(SC)CCOCC1 1286756345 VDJUVAPIYBTMDZ-UHFFFAOYSA-N 436.984 4.828 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1 1286758544 PWVHSHOLJCXSEI-QFIPXVFZSA-N 428.989 4.670 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1286759842 HXMXLFJGJQZOAX-HXUWFJFHSA-N 439.560 4.703 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 1293103675 VNKIVCCZRHDTIK-IBGZPJMESA-N 447.576 4.899 30 10 IJEE CC(C)(C)c1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc(C(C)(C)C)c1O 1293348423 CLUKHVRNGRHHQB-OAQYLSRUSA-N 433.596 4.837 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccc(C(C)(C)C)cc3)CC2)c1 1298180127 HCOIXORFLUEVLW-UHFFFAOYSA-N 437.605 4.801 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CC2(C)C)c1 1299966494 FXJYJYBINRZUGE-KBPBESRZSA-N 432.366 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(C)(C)COC 1300283715 WKHMOGPUCKJRLP-KRWDZBQOSA-N 447.421 4.927 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1300586594 FKXSBWOQIIAZJL-HXUWFJFHSA-N 440.538 4.556 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1300770341 TVHIJAQUXBEYQQ-IOMROCGXSA-N 445.032 4.892 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](OCC)C1 1300974920 PPTMCSASWRKCRF-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCc2sccc2[C@H]1CC 1301155880 YXQXIQOUAYAONO-GOSISDBHSA-N 427.618 4.578 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1301173547 HVROYRFIQXOXHE-CTNGQTDRSA-N 442.007 4.987 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@](C)(O)c1ccc(F)cc1 1301365707 WOBGBAGEWBLNBR-QHCPKHFHSA-N 426.561 4.532 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)F)C1 1301594828 JUDCFUSMDLONEK-HZPDHXFCSA-N 440.535 4.958 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1303013404 COSKSMCBIFLKGK-ROUUACIJSA-N 432.494 4.839 30 10 IJEE N#Cc1cc2c(nc1S[C@@H]1CCc3cc(Br)ccc3NC1=O)CCCC2 1307286358 DTTVIMWABFSFNE-GOSISDBHSA-N 428.355 4.640 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)cc(OC)c1OC 1310322945 PMDAHZGWWFXYKR-UHFFFAOYSA-N 449.507 4.950 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc1 1310608549 NFUUMLYJKVXNOR-UHFFFAOYSA-N 430.430 4.837 30 10 IJEE C#CCN(C(=O)N[C@@H](C)Cc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1311793419 STGVBBRILPLWBQ-UWJYYQICSA-N 441.369 4.857 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)c1 1357399060 LSJLZSPCCWACQS-UHFFFAOYSA-N 428.557 4.623 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CCC2)c1 1358407132 UBYWGLJEVGZRTI-MRXNPFEDSA-N 432.973 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccncc1 1358872589 WMEQSXBIKMDYBL-OALUTQOASA-N 437.975 4.784 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Oc2ccccc2)nc1 1358880953 WJYDFEKIFOLRHY-QGZVFWFLSA-N 444.926 4.687 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1358925844 UHBSYDXQSUBHJG-IBGZPJMESA-N 442.336 4.663 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1358985243 TVJFFIQYGOULLQ-WZYRSQIMSA-N 446.595 4.716 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1359159369 VAICWEXHKBDEJI-CTNGQTDRSA-N 429.584 4.690 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCN2CCCC2)CC1 1359159724 CPUQMYGXCPKBLP-LJQANCHMSA-N 429.996 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCOCCOC)CC1 1359161479 FQMNYIFHOMBHIN-UHFFFAOYSA-N 426.605 4.842 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(OCC)CCCC2)CC1 1359176190 OVQSXIASYRGLAM-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCCCn2cc(Br)cn2)CC1 1359178939 HBUHFLFAWFCYDD-UHFFFAOYSA-N 449.441 4.709 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2ncc(CC)s2)CC1 1359180288 ZCQQMFRFKGYFGN-UHFFFAOYSA-N 425.577 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1C(C)C 1359188880 WODNBZIVRHSCLA-NRFANRHFSA-N 437.636 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC1 1359191907 PGHPWIJKCATPIM-UHFFFAOYSA-N 425.360 4.603 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H](C)C1CCC1 1359216738 CJPQNDQFIGRZMC-QUCCMNQESA-N 447.624 4.568 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)CC[C@@H]1C 1359223353 IVNCCMYRNIYTJV-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cccc(COC)c1 1359263308 XUAQEDMZXLQEPC-UHFFFAOYSA-N 433.581 4.732 30 10 IJEE CC(C)(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1359544112 DJSCHIHHVMQZLT-UHFFFAOYSA-N 439.629 4.745 30 10 IJEE O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCOc2ccc(F)cc21 1435901167 FRDQLILSSXLCTB-OAHLLOKOSA-N 437.311 4.882 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1436082880 NAEWBBQASFQTNK-NHCUHLMSSA-N 441.369 4.811 30 10 IJEE COC(=O)COc1c(C)cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)cc1C 1436545663 FTGFPGIJIAUCEH-WFASDCNBSA-N 426.538 4.727 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1ccccc1 1439955208 RUEMMVPHHKZHRD-HKBQPEDESA-N 435.545 4.927 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)Nc3nc4c(Br)cc(F)cc4s3)n2)c1 1439958099 GWWBQZDBCUNFQC-UHFFFAOYSA-N 442.273 4.508 30 10 IJEE C=CCN(C(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1)c1ccccc1 1450689916 KXSSCGKZRVACPF-UHFFFAOYSA-N 441.556 4.761 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCCc2cc(OC)c(OC)cc21 1455223377 GNGAIEJDSLUFBM-NRFANRHFSA-N 447.535 4.652 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2Cl)nc2sc(C)c(C)c2c1=O 1458826509 SVQDXVMZOWYWJU-UHFFFAOYSA-N 434.970 4.993 30 10 IJEE C=C[C@H](COC)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1459312762 LFZQGIFVXDWPIO-QEUVDIPISA-N 433.614 4.714 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C 1459914705 PHWICKYRRQJPKE-UHFFFAOYSA-N 436.968 4.539 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(OCc3cccc(Br)c3)c(C(N)=O)c2)CC1 1462808982 RRROPWCMALUNHB-UHFFFAOYSA-N 443.341 4.812 30 10 IJEE C=CCC(C)(C)C(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1462976649 NFUZXFMQWINQSS-MOPGFXCFSA-N 428.573 4.745 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)cc1 1464147515 MAUQSISHSQMWPW-LJQANCHMSA-N 442.364 4.647 30 10 IJEE C=CCC1(NC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCCC1 1465152893 YZXBIXMVSDKHHQ-UHFFFAOYSA-N 427.570 4.912 30 10 IJEE Cc1nsc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c1C#N 1467280965 CCZMEDRMIBSKMY-UHFFFAOYSA-N 437.500 4.609 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1)c1ccccc1 1467536869 JLUVSKOUNJIORW-SFHVURJKSA-N 427.526 4.841 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1469380463 UWIBQNKCBGANHH-MRXNPFEDSA-N 441.247 4.564 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1470076281 NANJMDULSVNQQP-ICSRJNTNSA-N 446.378 4.975 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(CCCC)cc3)ccc2C)C1 1470488477 SRIIEGRRKBGJMJ-OAQYLSRUSA-N 438.593 4.624 30 10 IJEE C#CCN(c1ncnc2sc(CC)cc12)[C@@H]1CCOc2ccc(Br)cc21 1472696240 GKQYKIVSYWQBQK-QGZVFWFLSA-N 428.355 4.980 30 10 IJEE C=CCN(Cc1c(F)ccc(Br)c1F)[C@@H](Cc1ccccc1)C(=O)OCC 1473385568 XAQHJJPCXQWHDH-IBGZPJMESA-N 438.312 4.890 30 10 IJEE C#CCN(C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCN(C)CC1 1477506567 YAGANZQAAWOSNF-UHFFFAOYSA-N 430.379 4.822 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(C(F)(F)F)cc1 1478273156 STNVFJMZBWBQJO-VQTJNVASSA-N 437.506 4.946 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1496073147 CQSGNHQFWDYINZ-CRICUBBOSA-N 435.572 4.807 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@](C)(O)c1cccs1 1496396735 ICXFECQHROBICC-PXDATVDWSA-N 449.624 4.919 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1507541353 JFLFKLARTHBKNO-MRXNPFEDSA-N 447.530 4.629 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC(C)CC1 1507548534 VDIRXIZZEPZGIO-RTBURBONSA-N 446.064 4.802 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1507571796 NHPNQIHCGOBJJV-CLAROIROSA-N 442.648 4.784 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC[C@H](C)N1CCCCC1 1507769473 IAUTWXJNIIWGFF-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)Cc1ccccc1OC 1507795060 BRWXDDNZGGGDKK-ZYKOEDHHSA-N 440.632 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCN(C)C(=O)OC(C)(C)C 1507814397 NMNHSHBETIIJBP-UHFFFAOYSA-N 439.560 4.961 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507818396 WTALRUZESHBLBV-MBSDFSHPSA-N 448.970 4.868 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)CC1 1507864510 BWOIVKUEFVRZTG-SFHVURJKSA-N 438.016 4.772 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCCOc2ccc(F)cc2)CC1 1507901844 RCYGBPLWKXEEAC-UHFFFAOYSA-N 435.547 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1507912298 GRNMTGRMXIELKU-UHFFFAOYSA-N 446.599 4.943 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1)c1ccccc1 1507929528 QNPPRDNKQSATEU-NRFANRHFSA-N 439.604 4.505 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1507936313 AYPPPAHUDIUZKN-QFIPXVFZSA-N 437.588 4.509 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1nc(C)no1 1507974151 UBYKFZMMBSRIBS-UHFFFAOYSA-N 438.532 4.759 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@](C)(O)c1cc(C)oc1C 1507996848 KSYMFOFVDOKLGP-QYBDOPJKSA-N 447.583 4.973 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(C)(C)O 1508007150 TWRMFYUWOQHEEB-UHFFFAOYSA-N 448.596 4.546 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccccc1OC 1508049738 GPGVIXUNLAGYNU-QGZVFWFLSA-N 442.361 4.582 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)cc1C#N 1516578723 MODSOZDIFIUXOR-UHFFFAOYSA-N 447.495 4.634 30 10 IJEE Cc1ccccc1-c1nc(COC(=O)c2cccc(COc3ccc(C#N)cc3)c2)no1 1517405344 CTIKQZOEDQZNMV-UHFFFAOYSA-N 425.444 4.853 30 10 IJEE N#Cc1cc(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cnc1C(F)(F)F 1519393809 CZZJWSHULWGAGF-LJQANCHMSA-N 431.364 4.964 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)Cc2cccc(Br)c2)cc1OC 1519657555 GLRIKZGXIUWIPL-HGPCXVNDSA-N 430.342 4.783 30 10 IJEE N#Cc1cc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)ccc1Br 1524011797 AMIMTRQUDGIEOH-UHFFFAOYSA-N 433.103 4.746 30 10 IJEE CC(=O)N[C@H](C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)C1CCCC1 1525661310 HGMPXFYDLPWLAW-NRFANRHFSA-N 427.957 4.996 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2cccc(F)c2Br)cc1 1526772962 AOTAUCNMIWJMTM-UHFFFAOYSA-N 445.332 4.974 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1sc2ccc(Br)cc2c1C 1527423932 YQZUXDQDAOASFH-UHFFFAOYSA-N 427.323 4.588 30 10 IJEE C=CCCCCCCCCNC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1527714488 VDXMOLSNDMTGKD-OAQYLSRUSA-N 431.646 4.971 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C12CCC(C(=O)OC)(CC1)CC2 1529486212 XWEIBNPLWOXTGN-UHFFFAOYSA-N 438.337 4.616 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1529665519 DAKHSBGDMMNZHD-AFMDSPMNSA-N 433.552 4.656 30 10 IJEE C#CC[C@@]1(C(=O)N=[S@](=O)(CC)c2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1538621953 QLWPEHCTTPEAFA-LGGPFLRQSA-N 438.977 4.506 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1sccc1C 1539350978 HULNCWSSSIKTAF-UHFFFAOYSA-N 435.416 4.841 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(C)C)C1 1539498960 ZWQQQPFSUTWIFE-MSOLQXFVSA-N 433.021 4.920 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCc1nccs1 1539622940 IYNYKGZQMCQDTA-OXJNMPFZSA-N 444.004 4.715 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N1CCC[C@@H](C)C1 1539674538 YWUCIZISVLEBIY-NHCUHLMSSA-N 434.632 4.873 30 10 IJEE C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)c1ccc(C#N)cc1 1539790199 DVECUQCGQHXAPT-CVEARBPZSA-N 446.956 4.550 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCCOC2)C1 1539952290 AQLSYAKDGMVNLD-YADARESESA-N 428.552 4.920 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC2CC2)CC1 1539953613 LECYZFPGDYAVNW-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1539991379 HXVUJUVKMWTCPD-QGZVFWFLSA-N 425.483 4.632 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2ccccc2OC)nnc1[C@@]1(OC(C)C)CCOC1 1540022036 ZKWPWQRCLYZRBR-SQJMNOBHSA-N 440.588 4.635 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCc1nc(C(C)(C)C)cs1 1540173875 CKQBFARZFFHMNL-UHFFFAOYSA-N 442.658 4.809 30 10 IJEE C=CC[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccccc1 1540688223 QMXIYUSSBDPUNA-GCFJHJGGSA-N 440.952 4.852 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2C[C@H](F)C2)C1 1540885434 IOUKUNCJNXMHGE-ATZDWAIDSA-N 449.368 4.627 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(N(C)C)c1 1541106976 DHLUJJZQWVGLEF-ZWKOTPCHSA-N 448.640 4.842 30 10 IJEE CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCCC1(F)F 1541358731 IEAQXRQGKLZZBJ-HXUWFJFHSA-N 442.558 4.815 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)C1CCCC1 1547351556 HBEYIVUJJPVGMM-OYRHEFFESA-N 434.632 4.954 30 10 IJEE N#Cc1cc(Br)ccc1CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1559745096 GBNSSSPPYCVNKT-SFHVURJKSA-N 425.248 4.913 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)cc1OC 1560422206 JGELURHUEMUESN-VHKYSDTDSA-N 426.395 4.952 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccc(Cl)cc1 1561629674 XEGGWVSKADXANW-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 1564081568 DHXDNHIGCBHZRR-RBUKOAKNSA-N 428.374 4.514 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 1566728608 LIFJAEDPSUKPPX-LJQANCHMSA-N 444.963 4.799 30 10 IJEE C=CC[C@H](CO)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1567044867 SYFDJBSANORIJM-RVPSJEOCSA-N 428.532 4.645 30 10 IJEE C=C[C@H](CC(=O)N[C@@H](CC(=O)OCC)c1cccc(Br)c1)c1ccccc1 1583273071 QBVHXKDQGUWDFD-UZLBHIALSA-N 430.342 4.920 30 10 IJEE C=C[C@@H](C)ONC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1583412863 OFAQAZLHJLOMFE-GOSISDBHSA-N 442.515 4.961 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](CC)C2CC2)nnc1-c1ccc(Cl)cc1Cl 1584779829 JDYBUWBFABAXRY-INIZCTEOSA-N 425.385 4.835 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1587777410 DUPDONNBUMVODC-VWLOTQADSA-N 438.591 4.903 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCC(F)(F)C1 1588292821 CSKILTZOCXILFX-KRWDZBQOSA-N 432.515 4.637 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](CCC)C1 1594793716 PKYZSLXWOGRIIU-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1N(C)CCCC1(C)C 1594857667 NXMAPGXLDLFBII-PXNSSMCTSA-N 432.012 4.814 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cccc(Br)n1 1594868289 WZCXMGVBPTZTIE-SFHVURJKSA-N 426.362 4.648 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OCC 1595115736 MAKFBJSCIYKPSI-JOCHJYFZSA-N 433.556 4.554 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@@H]1C 1595166595 VVBXGOKZDIXVEL-IMBTUZDBSA-N 443.617 4.884 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@H](COC)C1 1595895660 NKSUBAHLMNUVFB-IBGZPJMESA-N 439.629 4.522 30 10 IJEE C#CCCCCCC(=O)Nc1cc(Br)cc(I)c1C 1595949789 HJVZIAAOQYAYRI-UHFFFAOYSA-N 434.115 4.884 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(I)cc(C)c1C 1597010160 IHSYAYIPTQYWGR-UHFFFAOYSA-N 435.305 4.745 30 10 IJEE Cc1cccc(-c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCCC(C)(C)C)n1 1612213132 ACCAFFKQQROMMX-QHCPKHFHSA-N 444.583 4.924 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)C1CCCCC1 1617631749 AEZKXYBHVZPGNK-HSZRJFAPSA-N 434.632 4.954 30 10 IJEE N#Cc1cc(NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)ccc1OC(F)(F)F 1617824814 DTLPDLKJEBUMDR-UHFFFAOYSA-N 430.386 4.880 30 10 IJEE C=C(Cl)C[C@H](NCc1cc(Br)c(C)cc1Br)C(=O)OCC 1621478537 CKSHVJMGISDNGC-AWEZNQCLSA-N 439.575 4.684 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccccc1 1623311182 JITFLZIHQBHLOE-IRLDBZIGSA-N 435.568 4.982 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F)[C@@H]1CCCc2ccccc21 1626384440 GCBYWJKIHQWEJW-HXUWFJFHSA-N 442.462 4.662 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(Br)c(C#N)n3)c2)s1 1626723826 GOXJVQCRMLXZLV-UHFFFAOYSA-N 438.310 4.638 30 10 IJEE C#C[C@](C)(CC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1627870556 IRXVKNCEHVXZLK-RTFHYFGRSA-N 432.564 4.858 30 10 IJEE C=C(C)[C@H](NC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1)c1ccc(F)c(F)c1 1634436275 XGCGIMUAKFTTNG-OFNKIYASSA-N 430.495 4.981 30 10 IJEE C=CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCCC1 1636701410 HACZMNIRCMKIIV-UHFFFAOYSA-N 442.581 4.813 30 10 IJEE CC(C)Cn1c(SCc2cccc(C#N)c2)nc2ccc(Br)cc2c1=O 1640728161 ARJGTVWFEGOPGY-UHFFFAOYSA-N 428.355 4.979 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(Cc3cc(Cl)cc(Br)c3)cnc21 1640787180 OWZXNKSVOHSQAY-UHFFFAOYSA-N 428.764 4.639 30 10 IJEE C#CCN(c1cc(COC)nc(C(C)(C)C)n1)[C@H]1CCOc2ccc(Br)cc21 1642274423 JDEXIBMGJFLDOX-SFHVURJKSA-N 444.373 4.646 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1NC[C@H](CO)Cc1ccc(Br)cc1 1650962680 CBJWVXXAUTUMJF-CQSZACIVSA-N 430.733 4.785 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H]3[C@H](C#N)c3ccccc3)c2C#N)C1 1653427082 IDTLOUIXYATXIL-ZNLUXHQJSA-N 432.593 4.845 30 10 IJEE CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](CO)c1ccccc1 1658501411 HDGKMAODCOGLRE-RUZDIDTESA-N 429.520 4.919 30 10 IJEE Cc1ccc(C2(CNS(=O)(=O)c3cc(Br)cc(C#N)c3)CCCC2)c(C)c1 1662231226 HMONCGYVKNBWBC-UHFFFAOYSA-N 447.398 4.728 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 1663216855 BNVABMYURJMMDL-LJQANCHMSA-N 432.332 4.522 30 10 IJEE COc1ccc(Cl)cc1C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 1667442172 BDPWDJLAMNZMGH-CQSZACIVSA-N 439.364 4.517 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(F)c(Br)cc1OCC 1667563435 XROYLRNDRBLVJT-UHFFFAOYSA-N 425.229 4.782 30 10 IJEE O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1O 1668051832 GOHHWNYAALVOSA-LBPRGKRZSA-N 431.329 4.522 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2csc(-c3ccc(Br)cc3)n2)CC1 1673795141 VWDHFIAMOKIUEA-UHFFFAOYSA-N 435.391 4.735 30 10 IJEE C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(S(C)(=O)=O)cc1 1674397137 BMUFDICHYQOLON-QGZVFWFLSA-N 449.532 4.679 30 10 IJEE C#C[C@H]1COCCN1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675724368 XUGXUEUVQNYXGV-LPHOPBHVSA-N 442.346 4.650 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C 1679243379 GCYMIROQJVGXNL-ZRCGQRJVSA-N 448.563 4.964 30 10 IJEE C[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 1679702286 CGCANKGXSVEDTD-SBUREZEXSA-N 448.567 4.889 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1680009800 ATMNWMZNVAPNOM-UHFFFAOYSA-N 425.945 4.571 30 10 IJEE C=CCC1(NC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCCC1 1685500112 ZBZMPTUOIARJJD-OAHLLOKOSA-N 430.902 4.911 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1685820512 XOZQBQHRAVLJHZ-CHWSQXEVSA-N 434.327 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1689831687 PLMVIGLXRTVXNA-FGZHOGPDSA-N 433.644 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(OC)CCC(C)CC1 1689842661 GIBULQVXZOTTTM-JQHMZKTJSA-N 445.405 4.761 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)cc1F 1690006599 UREAOBWGKUMYKA-UHFFFAOYSA-N 448.567 4.544 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCC1CCC(OC)CC1 1690065321 SRIDDERTTLGUQU-UHFFFAOYSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCSC(F)(F)F 1690086236 WVYPOZMIEYRMJT-UHFFFAOYSA-N 434.940 4.936 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690163558 JEXATEPESBFIRN-CYBMUJFWSA-N 446.901 4.883 30 10 IJEE C#CCSCCn1c(N2CCC[C@H](c3nc4ccccc4s3)C2)nnc1C(C)(C)C 1690186546 RCUKKIPFJCZPPH-KRWDZBQOSA-N 439.654 4.936 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1690287683 PDQQPUUAAMGMRV-QHAWAJNXSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1690412379 NWYUAEQZBXUXIX-UHFFFAOYSA-N 437.632 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(F)cc1 1690428112 DYLKUTKUJXUADK-MRXNPFEDSA-N 439.535 4.945 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690473814 IHEMHEMUFPZLBX-GOSISDBHSA-N 444.023 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1CCCSC 1690575933 GZAJROSDVHXMIP-UHFFFAOYSA-N 428.583 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCSC2)C1 1690686528 PROLPLHNBQWXJY-FUHIMQAGSA-N 449.020 4.606 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C/C=C/c1ccccc1 1705506105 QWDCDTWZXLYOKU-UPURBAGOSA-N 435.572 4.521 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC1CCC1 1705511012 FUIAYABMURCHGY-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1nc(C(F)(F)F)cs1 1705711813 GBNMVQATLILQBZ-UHFFFAOYSA-N 437.491 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCCCCC1 1705713564 LERVOPTZUHOLHP-UHFFFAOYSA-N 429.996 4.794 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705814093 CSHRXWIIAIYROW-WSTZPKSXSA-N 445.405 4.843 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705815639 DVDUFIXWLLPQOT-UHFFFAOYSA-N 427.499 4.576 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1705833409 FUMICYSHYBFVOP-NRFANRHFSA-N 437.588 4.651 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCCN1CCCC[C@@H]1C 1705861738 NHDPLKBJFFYKOD-UPVQGACJSA-N 437.632 4.629 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC=C(COC)CC1 1705942178 JRXOLCUCUNGWJI-UHFFFAOYSA-N 444.670 4.978 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOc2cccc(Cl)c2)o1 1707360971 GCCHIXXZDPJAKJ-JOCHJYFZSA-N 425.920 4.709 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C#N)cc2)(N(C)C)C1 1708026652 BDGBCBWQRYCFMH-FQRUVTKNSA-N 436.648 4.885 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)C[C@@H](C2CC2)O1 1708233992 FNADFDOEHGGZMY-AVRDEDQJSA-N 437.588 4.559 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1c(C)noc1C 1722379367 GLCFPPYRIIFDIS-SFHVURJKSA-N 429.568 4.724 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC1(COC)CCC1 1722389086 ORJPCYGENBJFPO-UHFFFAOYSA-N 432.612 4.912 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)Cc1ccc(Br)s1 1722451713 NBGMGPGLSQLUKM-CYBMUJFWSA-N 427.437 4.618 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1SC 1722504181 FDARDQZPRAZMLO-KNQAVFIVSA-N 437.613 4.623 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(F)cccc2OC(F)F)CC1 1722563023 BZSAVUMZESIMMT-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCOC2CCOCC2)CC1 1722574401 LUGLAZDHNPIULT-DEOSSOPVSA-N 438.616 4.808 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2CCC[C@@H]21 1722623856 NAHUTNMLUVOZCT-GJZGRUSLSA-N 437.407 4.741 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1722655280 AOZIHWAFLUPPIQ-QFIPXVFZSA-N 439.604 4.959 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N(C)C)c1 1722664284 VOGDTKZAVCIDEH-HXUWFJFHSA-N 437.613 4.541 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1ccc(C)c(OC)c1 1722675604 PSBINAJFPUBAAB-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCO[C@H](C)C2)CCS1 1726471316 GKBGQHCMJRXBBU-XQBPLPMBSA-N 439.629 4.600 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCSC[C@H]1C 1740568067 BEADTEHULTXUHD-LJQANCHMSA-N 436.581 4.862 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1740588098 IBWFLGNZKKXYOF-HXUWFJFHSA-N 442.991 4.566 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1740718392 NUEAYRFFGGXZNE-FCHUYYIVSA-N 440.613 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCOC(C)(C)[C@H]1C 1740754875 WOTSPFKHPVVOOC-ADHNFCLRSA-N 438.616 4.805 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)CC1 1740820362 AJDTYGJDXJBCBG-UHFFFAOYSA-N 427.980 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(c2ccnn2C)CC1 1740850909 RFSRVDDGJDKWLP-UHFFFAOYSA-N 432.616 4.783 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)S[C@H](C)C1 1740885065 VXEDHXFEZYFAHK-QZTJIDSGSA-N 439.585 4.523 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(C)cccc2C1 1740887576 ASJSXLDOIGWDNZ-DHIUTWEWSA-N 438.616 4.661 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1cc(C(C)(C)C)no1 1740893168 ZRXLKYJKYFWBCL-UHFFFAOYSA-N 430.350 4.664 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCn1ccnc1C 1740925367 MCHNOFWLFPMSFQ-UHFFFAOYSA-N 445.596 4.761 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2Cl)C1 1740984480 CIWCQTGAORSPAS-QKNQBKEWSA-N 445.007 4.680 30 10 IJEE CO[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1)C(C)(C)C 1748432144 AMFLBWFKTNHTFZ-PXDATVDWSA-N 448.571 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1N(C)CCCC1(C)C 1748650672 BOKJBQIMGORJOT-NPPFBWRTSA-N 439.673 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)N1CCCCC1 1748655173 SGLKZRAFUDRRIZ-MRXNPFEDSA-N 434.415 4.974 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC(C)C 1749026414 BFERSDYBPXRSPV-UHFFFAOYSA-N 435.435 4.865 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(OCCc2ccccc2)CC1 1749033202 AJXSHJPHKPXGKM-UHFFFAOYSA-N 438.641 4.530 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1749047498 XTRFGXNYHYTFMU-OAQYLSRUSA-N 436.581 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)CCC 1749053183 CJSAHGGJYKYRLP-IMRHEYAYSA-N 430.980 4.615 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1749091680 DBHQKGLQFLNNAO-SJLPKXTDSA-N 431.378 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCSC(C)C 1749170345 DXOXFVJXVZXPSV-SFHVURJKSA-N 437.654 4.894 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)NC(C)(C)C)CC1 1749293501 PGUPFJPVLIDCTL-UHFFFAOYSA-N 441.645 4.737 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749293558 BNHMKPQGOREULI-OALUTQOASA-N 429.012 4.518 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1749387227 UZIBXTNNSXEAAU-QFIPXVFZSA-N 447.587 4.579 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1749421195 MZSNKRJSINVTAQ-FQEVSTJZSA-N 429.927 4.620 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749448903 DWUCHADAUARCGE-NRFANRHFSA-N 449.599 4.870 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1 1749548851 LNJGAGAYSFCUKY-SFHVURJKSA-N 429.634 4.694 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2nc(C(C)(C)C)cs2)C1 1749712249 HEUMZERUWWVUND-QGZVFWFLSA-N 431.650 4.645 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)CC(F)(F)F 1749746205 UVFTWFMAMHXNOK-UHFFFAOYSA-N 435.313 4.625 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ncc(CC)s1 1760173195 MVCLXQTYRFEQGB-UHFFFAOYSA-N 425.627 4.607 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC[C@H]1c1ccco1 1760285989 YBNBKBUCUKPFCY-FQEVSTJZSA-N 436.581 4.720 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)CCc1ccc(Br)cc1 1760334703 LFHXWCZPADVWMG-ICSRJNTNSA-N 445.405 4.578 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1760361960 XDJPSLSYPCRJFB-VQTJNVASSA-N 428.552 4.605 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCSc2nccs2)CC1 1760385566 WQKYXZBUDVTKRD-UHFFFAOYSA-N 427.599 4.749 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760427306 WQAQYGRHGUPAGK-FQEVSTJZSA-N 443.586 4.816 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)CCc1ccc(Br)cc1 1760438556 JLHAWRIJZOZDOE-GOSISDBHSA-N 433.394 4.580 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](OC)C(C)C)C1CC1 1760469936 RWCJGUCRQRBFMF-LJQANCHMSA-N 449.393 4.542 30 10 IJEE O=S(=O)(c1ccc(-c2csc(NN=Cc3ccc(Cl)cc3)n2)cc1)N1CCCC1 1772721402 POWJSJAGWXNSQN-UHFFFAOYSA-N 446.985 4.694 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)COc4ccccc4)CC3)cc2)c1 1860693861 YGTPRBKFXRCHJH-UHFFFAOYSA-N 440.499 4.562 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861194693 RFWNDHOMPUMTBF-UPVQGACJSA-N 447.639 4.799 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnc(C)cn1 1861731747 HPHHQMVKWPUEEQ-QFIPXVFZSA-N 442.579 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379816 LONFDUJRUHASQX-LJQANCHMSA-N 434.319 4.734 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862397545 RLCFTOYAKQLNNT-QFIPXVFZSA-N 435.520 4.803 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(Br)c1 1862421280 GYHVTDXKWHYTCY-KRWDZBQOSA-N 436.252 4.716 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2c(c1)CCCN2C 1862442662 GKCCYUFOFHRMMQ-JOCHJYFZSA-N 438.955 4.957 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1O 1862480566 JUTXLUPCALWRBR-JOCHJYFZSA-N 449.528 4.592 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1862516609 RZPXVMXDEMIQJK-QFIPXVFZSA-N 439.508 4.511 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2cccc(F)c2)c1 1862556038 NVCBPSWPORORHA-PHDLEGTPSA-N 446.522 4.955 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862676916 UPBBVOZDQOUNIM-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)ccc1O 1862678939 YEYCPHAMMARDHI-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 1862735660 PSOWGNUIHDBJIT-NRFANRHFSA-N 432.407 4.512 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 1866699766 GDQQHOSUJCVGSO-JWQCQUIFSA-N 440.547 4.593 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nc(-c2cccnc2)n1 1869373386 LPNWXRXLJRMCGQ-JOCHJYFZSA-N 441.583 4.660 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 1870002356 LFFWSFOXYKRRNC-UHFFFAOYSA-N 442.350 4.934 30 10 IJEE Cc1cc(OCC(=O)Nc2c(C#N)nnn2Cc2ccc(C(C)C)cc2)cc(C)c1Cl 1870109103 JJQMBIVGYYXACR-UHFFFAOYSA-N 437.931 4.609 30 10 IJEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870663919 MYJQVEAWTYGVJI-UHFFFAOYSA-N 449.636 4.662 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871442752 SEDDHWJNPDMQSB-JMIUGGIZSA-N 445.500 4.577 30 10 IJEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521181 UQFWAVOGKBANLL-UHFFFAOYSA-N 443.596 4.766 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871765077 ZMMHBTCLCJHKOU-LJQANCHMSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871868813 GPNJHUUWRXFQAP-SFHVURJKSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872248266 CLECJBABVIHIHJ-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1)S(=O)(=O)CCCC 1872375382 LFAJRXRWIBCHBD-NRFANRHFSA-N 436.524 4.653 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872469906 ANTPVQMBJTUTHZ-NRFANRHFSA-N 434.989 4.887 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1ccc(Cl)cc1Cl 1872724347 CALVJMJHCHBYOE-UHFFFAOYSA-N 428.344 4.932 30 10 IJEE N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777668 SLKFJXXLEGDVLD-IEBWSBKVSA-N 440.528 4.516 30 10 IJEE N#Cc1ccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3cccnc3)C2=O)cc1 1873336183 YUNTVMOJIJWBJO-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2ccc(OCCC)cc2)C1=O 1873375143 SDTYOVXQIOCCFS-UHFFFAOYSA-N 434.536 4.949 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(NCCc3ccc(OC)cc3)ncnc21 1873609651 LBVRLNBCWWWQNI-UHFFFAOYSA-N 441.535 4.841 30 10 IJEE CCCCCCCCNC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@H]2SC1(C)C 1873886006 CJMPPAYORFPEMG-DENIHFKCSA-N 434.602 4.529 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccccn1 1874194549 VRNNRMHRXJXYFK-ZVHZXABRSA-N 425.558 4.552 30 10 IJEE CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874281459 KHKMZWWFDCWFTB-SRZZPIQSSA-N 436.324 4.882 30 10 IJEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874358183 SQNKJNHRCIQMGX-ZVHZXABRSA-N 440.569 4.506 30 10 IJEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874382795 IYORMEPYAKNDKG-AFUMVMLFSA-N 446.532 4.751 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2C)o1 1874422415 LBEPMDYVOCBPLY-WSDLNYQXSA-N 438.534 4.869 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc(C)c2)o1 1874460423 RUPODFBQCRRHAS-AUEPDCJTSA-N 438.431 4.550 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(F)cc1F 1874517861 OJARHLSFRDRPPC-BRJLIKDPSA-N 441.507 4.609 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(S)n1/N=C/c1ccccc1OCc1ccccc1 1874565100 HPJGKRMYGRIAAE-BUVRLJJBSA-N 445.504 4.527 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 1875085134 QVNVKYBVQXLGCO-XYOKQWHBSA-N 447.443 4.656 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1cccs1 1875149944 PLCBFRGOXDNYFW-FNORWQNLSA-N 438.457 4.609 30 10 IJEE N#CC1(c2ccccc2)CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 1890951244 UOZINGKMGQLWKI-UHFFFAOYSA-N 448.158 4.909 30 10 IJEE C#CC1CCC(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC1 1984724963 YNTXZPNWIFXWSR-SALGDXJJSA-N 444.575 4.858 30 10 IJEE CCOc1cc2c(cc1C=CC(=O)c1ccc(N3CCN(CC)CC3)c(F)c1)O[C@@H](C)C2 2040454037 FKROZMXGMYUWPP-SFHVURJKSA-N 438.543 4.586 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)CO2 2052935010 ZWFIGTIWXRMAHA-HSZRJFAPSA-N 449.592 4.618 30 10 IJEE CCCc1ccc([C@@H](C)n2nc(C3(C)CC3)c(C=NO)c2I)cc1 2079874335 CRFABJUQJLCCPR-CYBMUJFWSA-N 437.325 4.909 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(F)c1 2080034088 AAAJFIIPEFPNBR-QGZVFWFLSA-N 441.288 4.876 30 10 IJEE C=CCN(CC[C@H](NCC)c1nc(C(C)C)[nH]c1Br)C(=O)OC(C)(C)C 2099291941 CWLBALIABKJOOI-AWEZNQCLSA-N 429.403 4.759 30 10 IJEE C[C@H]1C[C@H](CNc2cc(Br)c(C#N)cc2F)CN(C(=O)OC(C)(C)C)C1 2115934951 FCHHFEOYHHCHGV-QWHCGFSZSA-N 426.330 4.765 30 10 IJEE N#Cc1cc(F)c(Nc2cccc3c2CCN3C(=O)C(F)(F)F)cc1Br 2162403182 VCLXTNXTWMLLLV-UHFFFAOYSA-N 428.183 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2cc(Br)ccc2C#N)(C(F)(F)F)C1 2167670016 DZWUFURXWJMNOU-KRWDZBQOSA-N 448.283 4.922 30 10 IJEE CCCN(c1ncc(Br)cc1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 2174809290 YHAFXHGHYOWVQH-UHFFFAOYSA-N 437.382 4.768 30 10 IJEE C[C@@H](CCC[C@H](C)C(=O)Nc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C 2181047042 MXPFWFIHXWUMAX-KBPBESRZSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(C)(C)C(=O)Nc1ccc(Br)cc1C#N 2181110047 ACTSAORLUYZORJ-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2215767945 UXOXBUQZXKYMQG-HXUWFJFHSA-N 447.498 4.859 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@@H](N)C#Cc1ccccc1Br 2235726540 OWLPIZOVIAPIAP-JYBIWHBTSA-N 433.390 4.554 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2235733218 ZTYXXXGLGWAYCC-SIKLNZKXSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](O)(C#Cc2ccccc2Br)C[C@H]1C1CCC1 2235744137 OIXBURDWWGADEC-UGKGYDQZSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2235748157 XBSGTCGBOFLJLG-ZIFCJYIRSA-N 435.406 4.720 30 10 IJEE C#CC(C)(C)C[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398415 CIJKISVEMGZVRO-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE CCCN[C@@H](C#CC1CCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251410253 ADDCNNASXBEWOJ-ZEQRLZLVSA-N 427.633 4.574 30 10 IJEE CN(Cc1ccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc1)C(=O)OC(C)(C)C 2265852665 DRYFLJIJYPKIDS-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2c(Br)cccc2C#N)[C@H](C(F)(F)F)C1 2285189146 BCTSFKVNAXNJML-JSGCOSHPSA-N 448.283 4.745 30 10 IJEE CC1CCN(Cc2c(O)ccc3c2OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)CC1 2293031511 BFUNKBYEWGMLIW-UHFFFAOYSA-N 441.911 4.760 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@@H]21 2296284258 OWHOVAGIIQTECW-ITBLURSFSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2ccc(Br)cc2)CC(C2CCC2)C1 2296287414 WHTGNDSSUHOTHG-IMYXXEESSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@H](N)C#Cc3cccc(Br)c3)CCC[C@H]21 2296288548 IKYLAZYELWNESY-UAFMIMERSA-N 433.390 4.554 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CC12CCC(CC1)N2C(=O)OC(C)(C)C 2296304795 LHVITVYQZAECOF-PGFLUOATSA-N 433.390 4.711 30 10 IJEE Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c(C)c1 2297378427 OPZBCBQJLLKRSN-UHFFFAOYSA-N 442.537 4.990 30 10 IJEE CCCN[C@H](C#CC1CC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300408203 ZDYKCXZSJRMOPL-ZEQKJWHPSA-N 426.601 4.612 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2)C1 2301581238 XOZWOTJIJZPKCS-OAQYLSRUSA-N 434.541 4.607 30 10 IJEE CC(C)[C@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317349944 LHMAWKZEMXAKNY-SFHVURJKSA-N 431.386 4.687 30 10 IJEE CCc1ccc(C=NNc2cnn(-c3cccc(Cl)c3)c(=O)c2Br)cc1 2322648516 HYEHYWQBCFQOSM-UHFFFAOYSA-N 431.721 4.657 30 10 IJEE CCOc1cc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)cc(Cl)c1O 2323865147 NLJWWEFSCOPTES-UHFFFAOYSA-N 431.901 4.800 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324405831 FXJHUCSCVUXLGQ-INIZCTEOSA-N 444.443 4.925 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccco1)C2=O 2325628176 FEIRXLNWPWNLOZ-CQSZACIVSA-N 434.404 4.518 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)c(OC)c1 2325739890 BWCDWQOGHZWFMY-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OCC)c1OC 2326733831 XQZWJPFFLJDYAP-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 2328081270 HMVCBNPCGBPEKM-FCHUYYIVSA-N 425.960 4.988 30 10 IJEE COc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc[nH]2)cc1 2328389015 SXCCJISSHHOLIG-UHFFFAOYSA-N 447.564 4.985 30 10 IJEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccccn1 2329192729 OJZRKKSTMXJOCV-UHFFFAOYSA-N 433.512 4.608 30 10 IJEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccncc1 2329192764 XVUSQEWSERQDIP-UHFFFAOYSA-N 433.512 4.608 30 10 IJEE O=C(CSc1nnc(COc2ccccc2)n1N=Cc1cccs1)Nc1ccccc1 2329874350 RMZFMLNNDGCOLI-UHFFFAOYSA-N 449.561 4.532 30 10 IJEE OCCCSc1nnc(Cc2cccs2)n1N=Cc1ccc(Cl)cc1Cl 2330422992 XOLAIYBBPULOMZ-UHFFFAOYSA-N 427.382 4.594 30 10 IJEE COCC(=O)Oc1c(Br)cc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2331129959 OOKIMKINZZEDOS-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)C)cc(OC)c1OC 2331687971 MNAABMHKIOQFTC-UHFFFAOYSA-N 444.532 4.741 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339537195 OYIWQPVDLWCJML-JLVIMGNISA-N 433.405 4.827 30 10 IJEE C[C@H]1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339578783 MLFMCVFSNHMANV-YLZCUGDYSA-N 443.397 4.562 30 10 IJEE C[C@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339586618 IGHBRPWFVQLENM-HKUYNNGSSA-N 443.397 4.926 30 10 IJEE C#C[C@@H](NCc1ccc(I)c(Br)c1)C1CCCCC1 2349846181 WDBWCBVTGIGQMS-MRXNPFEDSA-N 432.143 4.725 30 10 IJEE C=CCC1([C@H](NC)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2365233755 GNAGNOHQKLSXGJ-GOSISDBHSA-N 439.394 4.840 30 10 IJEE CC1(C)OB(c2cc(Nc3cc(F)c(Br)c(Cl)c3)ncc2F)OC1(C)C 2371993750 SUCAHFHWHWKNHL-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2ccco2)cc1 5921617 HTUPMZOYDLVEJF-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2OC)C3=O)c1 41287540 NTBBDRPMBCAANZ-HMAPJEAMSA-N 446.455 4.856 30 10 IJEE CCCCCCCN1C(=O)/C(=C\c2c(NCC)nc3c(C)cccn3c2=O)SC1=S 100854902 OKLABCJPPIOKCX-SAPNQHFASA-N 444.626 4.606 30 10 IJEE COc1ccc(CCNC(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1OC(F)F 110056239 FNEXZSMRABXWBM-CSKARUKUSA-N 439.462 4.537 30 10 IJEE COc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1 111219043 KZTZPLYIUVEKTK-FQEVSTJZSA-N 438.430 4.556 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 170044762 SYBHWOKYUIQJFR-AUSIDOKSSA-N 431.463 4.736 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2F)cc1 170072089 PVAOYUZCWLSMMX-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c[nH]c3ccccc23)cc1 170073188 DNECUBRXKUJOFJ-HSZRJFAPSA-N 432.520 4.734 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1c[nH]c2ccccc12 170074627 DMGRMQOMLNEPOJ-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(C)c1 170141507 DOUZQAWBOYMPPW-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)c1 170161392 TVVVQPXNCVVVLN-NRFANRHFSA-N 435.501 4.857 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1cccs1 170166104 JPBVKCMPYNZKQA-IBGZPJMESA-N 449.956 4.804 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)cc1 170174213 BNNZHXXVZWMUFD-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE Cc1ccc(-c2nc(C3=C(N)N(c4ccc(Br)cc4)CC3=O)sc2C)cc1 170179446 WUFRQMJJRQDADR-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1OC 170249354 TXMWATCVPKHMRZ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170250636 XQVWTXNRLPSQDM-QFIPXVFZSA-N 433.435 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 170260922 ROFFNLXEDFHGKB-XMMPIXPASA-N 436.467 4.719 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2C)c1 170271384 VMYMFTZIWCIVDZ-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@H]1CCCO1 170316047 MQZWEGUMPZHPCC-CTNGQTDRSA-N 433.529 4.967 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(Cl)c1)c1ccco1 170420669 WHBYXNXGVNMJKC-IBGZPJMESA-N 427.815 4.556 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1cccc(C(C)=O)c1 252596563 CKNKJUCLEBEBPH-LJQANCHMSA-N 443.956 4.831 30 10 IJEE CCSc1nnc(NC(=O)CSc2nc3c(cc2C#N)C[C@H](C(C)(C)C)CC3)s1 261526813 LZPOVPIQRBJELA-CQSZACIVSA-N 447.655 4.799 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1nccn1CC(F)(F)F)c1ccc(C(F)(F)F)cc1 440774123 WEZMPRRHPHASBU-OAHLLOKOSA-N 434.384 4.971 30 10 IJEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H]1c1cccc(F)c1 460961181 SBPJXKWJWOGZGA-HRAATJIYSA-N 439.560 4.572 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC2(C)C)nnc1-c1ccc(Cl)cc1Cl 476557263 YQZVJRKVQUHQDQ-UHFFFAOYSA-N 425.385 4.931 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 508473479 ORGKVBQOBGKPPV-KRWDZBQOSA-N 448.017 4.753 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(OCC2CCCC2)CC1 508788028 AVAHNCXKQLVCGC-UHFFFAOYSA-N 442.629 4.941 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)c1 526606035 BXGYIRDWMQEDKH-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(OC)c(O)c(OC)c1 526807122 ISYPINAGQDSYJX-FMCGGJTJSA-N 446.960 4.781 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526825345 SSXZKUNURUAWPA-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccsc2)C1 549262679 OUELAUIQDLNYLP-OXJNMPFZSA-N 428.533 4.773 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 549667810 HXGRUDKJUKEFPF-HJOGWXRNSA-N 448.542 4.816 30 10 IJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c2c(c1)OCCO2 698464243 MZQJZEMCZKFUEG-IUODEOHRSA-N 425.323 4.821 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 733198367 WMSYMUBGKQKIDR-JOCHJYFZSA-N 433.577 4.904 30 10 IJEE C=CCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 736577869 PSCGAEPKYIXQBR-UHFFFAOYSA-N 427.353 4.832 30 10 IJEE Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)[C@H](Oc1ccccc1C#N)C(C)C 799466757 OVTUJXCSJGHHOG-HSZRJFAPSA-N 429.476 4.523 30 10 IJEE C=CCN(CCOC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1128541265 BGCLPGJYETVCJW-UHFFFAOYSA-N 432.549 4.732 30 10 IJEE C#C[C@@H](NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1129723344 VBBPGNRYAXKHBR-HSZRJFAPSA-N 430.935 4.817 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)CCc2cccc(OCc3ccccc3)c2)CC1 1136603514 BENMXTZJBBTPRG-UHFFFAOYSA-N 439.559 4.809 30 10 IJEE C=CCC[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1151867060 JDZMIVJAGDFALQ-UXHICEINSA-N 433.474 4.937 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2c2noc(C(C)C)n2)n(-c2ccccc2)c1C 1191380890 CJECZAXCFLZNQF-OAQYLSRUSA-N 446.555 4.638 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1197505634 MLPJXKKADXJWOA-UHFFFAOYSA-N 433.618 4.770 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 1205351375 FUZSBUNRUPQBOG-UHFFFAOYSA-N 446.532 4.729 30 10 IJEE C#Cc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c(Cl)c1 1209898182 PWXBTCCSCSKULL-IYARVYRRSA-N 427.888 4.567 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)C1 1221912202 YGWLREDGQODVRO-LJQANCHMSA-N 431.330 4.728 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1 1228914400 NWLSXHUTFFEQTG-UHFFFAOYSA-N 426.520 4.649 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1F 1265514560 FNUIANXGGKZIOL-MRXNPFEDSA-N 433.414 4.620 30 10 IJEE C=CCOc1ccc(CN(C(=O)C2CCN(C(=O)OCC(C)C)CC2)C(C)(C)C)cc1 1269611558 FOPDVBUXIIXROV-UHFFFAOYSA-N 430.589 4.883 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCN1CCCC 1286276602 XYIRSPFDEKCNGG-UYAOXDASSA-N 445.558 4.659 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC[C@H](C2CCC2)C1 1286318121 RXYNLPALDDLYCQ-LJQANCHMSA-N 442.991 4.664 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C 1286553532 VMNPOGSBOFLQBQ-FXAWDEMLSA-N 444.004 4.981 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286590224 XTQOZJXREFIDJC-MRXNPFEDSA-N 449.958 4.807 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2c(CC)noc2C)CC1 1286643539 MTOPOMFCZQHSLS-UHFFFAOYSA-N 442.361 4.771 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C(C)C)cs2)CC1 1286664235 STVTWTBYOSDSAI-UHFFFAOYSA-N 448.596 4.759 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1286669189 ZGWBEDIILXULQN-OAQYLSRUSA-N 437.632 4.989 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1286670300 DDJLSOGRTPCFKG-FQEVSTJZSA-N 435.616 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)C)CC1 1286674350 CVFDBKYDVJHNHQ-UHFFFAOYSA-N 432.012 4.643 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1286823597 OVAGLHMOTBGTPL-LJQANCHMSA-N 439.629 4.569 30 10 IJEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccsc2)sc1C 1289137529 CPJLNACUMVTAQE-UHFFFAOYSA-N 434.594 4.831 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2cc3c(nc2O)CCOC3)cc1 1299467421 WYHJJUYBQLOWIU-UHFFFAOYSA-N 437.908 4.788 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(C)CCCOc1ccc(F)cc1 1300830794 LGVHGAZMYNWMQJ-CQSZACIVSA-N 425.346 4.745 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC=C(C)C1 1300873250 FFLNYACLTVMCFO-LAUBAEHRSA-N 428.964 4.745 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1Cl 1300880730 KJLIXJXOYDYLLN-WIYYLYMNSA-N 425.964 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nccc(C(F)F)n1 1300925568 XKDLDLQNPCSUTM-UHFFFAOYSA-N 448.905 4.689 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C1CCCCC1 1300983737 ODTAWZQRRVGSQA-UHFFFAOYSA-N 434.588 4.883 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCC(C)CC2)CC1 1301066039 MNRSORBHRUVFMI-OAQYLSRUSA-N 441.595 4.836 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301190678 WXTIOJZOHBUHHW-FQEVSTJZSA-N 436.629 4.565 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1301218365 NPIXGVUDAQQTRM-INIZCTEOSA-N 433.478 4.940 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC=C 1301349272 MQPQPEDTBZCUFO-OAQYLSRUSA-N 437.588 4.771 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCc1cccc(F)c1 1301365453 PTBCXWMFAHCORG-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1 1301402263 KUQAXVSWFGNXFY-OAQYLSRUSA-N 449.599 4.741 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(-c2ccccc2)nc1C 1303607828 MDSZJZPENWTYDZ-GOSISDBHSA-N 429.586 4.984 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 1310058334 UZAUELGSQRNWMB-RCCFBDPRSA-N 431.577 4.973 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1312852775 GCWIBSJTPKZNEC-ZEQKJWHPSA-N 439.559 4.870 30 10 IJEE CO[C@](C)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N)C1CC1 1315142932 GRMKIBTYQDAVPE-QMHKHESXSA-N 427.618 4.829 30 10 IJEE C#CCN(C(=O)CCOc1cc(C)ccc1C)[C@@H]1CCOc2ccc(Br)cc21 1353633014 ABABRGMFOCKMTM-HXUWFJFHSA-N 442.353 4.820 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccccc2OC2CCCC2)CCCN1C(=O)OC(C)(C)C 1355174928 XZMGHAOANBJQIQ-RUZDIDTESA-N 428.573 4.970 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)nc3)cc2C1=O 1357417662 ADPNBNUAYKTUNV-UHFFFAOYSA-N 427.460 4.525 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 1357802636 AFJMZYDWIIWZLT-UHFFFAOYSA-N 431.305 4.646 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCC(F)(F)C1 1358884813 XLLGXCHDBYWQPA-RTBURBONSA-N 438.526 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)C1CCCC1 1359094908 HNBWUMJGIDVIIN-XXBNENTESA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@](C)(O)C1CCCCC1 1359108393 MHMVERHEZDJQNM-RUZDIDTESA-N 442.604 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1CC(F)(F)Br 1359116138 ZMDGGYHMTKYBKC-UHFFFAOYSA-N 429.309 4.556 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1359181128 GOZODRKJIGMXQP-HSZRJFAPSA-N 439.648 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1359188126 GTYKJFVMSLUNMF-UHFFFAOYSA-N 429.012 4.913 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 1359194881 CRFMDSAZGFTNRF-FGZHOGPDSA-N 438.616 4.926 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1359217900 QTKQEUWRODTSTL-ZCYQVOJMSA-N 431.584 4.834 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1359248690 YLDKWCRCSKSBNG-RHSMWYFYSA-N 449.368 4.553 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Cc1cccs1 1359258279 LPBAMBNJAKLOQF-IBGZPJMESA-N 432.597 4.812 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC1(C)C 1359259842 KDBUMADHGRKRTM-FQEVSTJZSA-N 439.579 4.672 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)c1cccc(C)c1 1359279846 VHXVWWUBSNMQBE-GOSISDBHSA-N 425.964 4.744 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359285201 OOGDXWTZUZAPMH-CRAIPNDOSA-N 432.446 4.938 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cscc2C)C1 1359313553 NWSGDHQBMDVJIE-IEBWSBKVSA-N 442.560 4.757 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCC)CC1 1359339876 TVTBLDLFZOMRIT-OAQYLSRUSA-N 425.602 4.521 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)COCc1cccc(Cl)c1 1360644152 PLIRCELFECSKGZ-UHFFFAOYSA-N 426.713 4.973 30 10 IJEE Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)o1 1360766084 GATYTSDKEBEHJM-PXNSSMCTSA-N 425.916 4.610 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)cc1OC 1453281587 BKLVNIHOVSEERS-FYEXEBAFSA-N 449.547 4.741 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)c(F)c1 1459184344 NWORHGXSQIZJFO-JOCHJYFZSA-N 448.535 4.577 30 10 IJEE C=C1CC(C)(C(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)C1 1464662714 VSBSAQJJLDWZIH-LJQANCHMSA-N 428.529 4.538 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(N3CCN(CCC)CC3)c(Cl)c2)cc1 1465389630 ULFLZMPWDSQMFI-UHFFFAOYSA-N 442.991 4.759 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1465535686 SBUYVTBMAWSCGC-XMMPIXPASA-N 429.561 4.896 30 10 IJEE N#Cc1ccc(F)c(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c1 1466788087 ARWZXFXTSAQTGK-UHFFFAOYSA-N 426.801 4.724 30 10 IJEE C=CCN(C(=O)N[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC)[C@H](C)COC 1469064296 HVIVWQPHJRWDDM-OPAMFIHVSA-N 432.948 4.679 30 10 IJEE C#CC[C@@H](NC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1)c1ccccc1 1469447527 DVXJMPBQOSLVKF-XMSQKQJNSA-N 440.385 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccc(C#N)cc2)[C@H](c2cccc(Cl)c2)C1 1473417380 BXLFACVBECWCPS-FCHUYYIVSA-N 441.959 4.539 30 10 IJEE Cc1nc(NC(=O)Nc2cc(C)n(CCC#N)n2)sc1Cc1ccc(Cl)cc1F 1476600097 GEYOOYZKWODELW-UHFFFAOYSA-N 432.912 4.897 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC1(COC)CCCC1 1507609651 DDUOBESYFIVCSW-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H](C)[C@H](C)C1 1507792110 DVGHZDJRFAQLGE-JKSUJKDBSA-N 449.393 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCCS1 1507819227 PGOURKKDNOUNMD-GOSISDBHSA-N 446.617 4.659 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507830960 RBIAMJDSUIHYJF-INIZCTEOSA-N 442.514 4.614 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)OCC)CC1 1507878147 JAHZYIUNMUYVRB-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1507880236 IVCKUDGQACRCNS-HTAPYJJXSA-N 447.421 4.970 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCc2csc(C(C)C)n2)CC1 1507887705 SSMWHPZVAIYPSQ-UHFFFAOYSA-N 437.613 4.879 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2cc(C)cn2)CC1 1507898357 XEPCYPRWCWWNCN-SFHVURJKSA-N 440.979 4.679 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(C)C)CC1 1507913785 BSBLYWLSQTYRGS-HXUWFJFHSA-N 443.611 4.938 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1507923614 AVGUNIBKQANRDU-PXNSSMCTSA-N 433.522 4.588 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1 1507935301 PEPQVPZVWVDTKQ-HXUWFJFHSA-N 447.624 4.713 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1507996151 DFAZMPCONGHAON-IBGZPJMESA-N 425.596 4.673 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCSC1 1507997470 SRVULQHFDBAADT-JOCHJYFZSA-N 449.624 4.608 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1508024902 MHKVEEUNGPXWBA-SANMLTNESA-N 445.567 4.586 30 10 IJEE C=CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cc(F)ccc1Br 1508068490 ZPTJXFWOYRIOKX-CQSZACIVSA-N 439.239 4.553 30 10 IJEE Cc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCC#N)CCC(C)C)s1 1511492343 FBESHZPPFVOLMA-UHFFFAOYSA-N 433.585 4.705 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)c2)cc1 1515494911 ASPOEHAKBJCDEV-UHFFFAOYSA-N 443.894 4.683 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1nc(C)c(-c2ccccc2)o1 1523502027 CCSWEOZDUWXFAY-UHFFFAOYSA-N 435.476 4.712 30 10 IJEE CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccccc2OCC#N)cc1 1524018708 FKEZUTJCWWQFKL-JOCHJYFZSA-N 449.551 4.586 30 10 IJEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)CCCC1 1525699475 VBYVNKHPKHNRKG-IBGZPJMESA-N 426.582 4.592 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)c3sccc3S(=O)(=O)C(F)F)c2C#N)[C@H](C)C1 1527031736 CWUFVBLSBKKRRT-DTWKUNHWSA-N 430.523 4.616 30 10 IJEE CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1527356314 IFYHBKWCYBWVLF-UHFFFAOYSA-N 448.426 4.562 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1528315738 CQFHAMNKXMCGBD-NQIIRXRSSA-N 443.588 4.625 30 10 IJEE COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1cnn(CCC#N)c1-c1ccccc1 1529218903 HYYLPVYCVBGMLA-OAQYLSRUSA-N 428.536 4.947 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1)c1ccccc1 1529738275 UTZCWHQPELUTNA-RBUKOAKNSA-N 443.341 4.506 30 10 IJEE CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1530082074 IBWXHEYUXPCEAB-PGRDOPGGSA-N 435.955 4.785 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2cc(C)co2)c1 1537904059 HSPNXGUAZNNJOP-UHFFFAOYSA-N 445.924 4.980 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCCc2ccccc21 1538600142 RKRVYLUDXQKGLY-ZJSXRUAMSA-N 434.967 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@@H](C)C1 1539622976 JJEKJAYDDGMHIX-OPOADAIRSA-N 430.980 4.681 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1539786766 ZZKHXAYOTDFJRY-LRDDRELGSA-N 433.170 4.766 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CC)C1 1539801672 FYRWKQUEIMLFPS-QZTJIDSGSA-N 438.016 4.772 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2CC(OCC)C2)CC1 1539829138 UFXMGOIESJDLCK-PGFLUOATSA-N 428.552 4.919 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1539988986 LWBBHNWXCBNYNP-OALUTQOASA-N 449.368 4.961 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCOc1ccc(F)c(Cl)c1)C1CC1 1540112335 WFVKFPDKPNVCHX-UHFFFAOYSA-N 447.967 4.660 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1sccc1C 1540186735 GSWCKSJDWULJEM-IBGZPJMESA-N 426.586 4.613 30 10 IJEE C[C@H]1CCC[C@@](Cn2c(-c3ccccc3F)nnc2N2CCC(CC#N)CC2)(N(C)C)C1 1543874211 CQITZNAEKCMTKV-UQBPGWFLSA-N 438.595 4.725 30 10 IJEE COCC(C)(C)CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C#N)CC1 1555213905 HZZRHEHBEWBUSA-UHFFFAOYSA-N 439.604 4.667 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2ccc3c(c2)CCO3)cc1 1559423524 CBPKWWRZISZZQP-UHFFFAOYSA-N 433.533 4.640 30 10 IJEE CCN(CC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1)C[C@H](C)C#N 1559507859 AEEVYBJJKLYDQN-HXUWFJFHSA-N 441.579 4.838 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@H](C)CCN1C(=O)c2ccccc2C1=O 1560880178 XVJVEZVBJKLLSC-CQSZACIVSA-N 429.314 4.501 30 10 IJEE C#CCN(C(=O)NCc1cc(Br)ccc1Br)C1CCCCC1 1564588722 LDNGBBBLRFWDOC-UHFFFAOYSA-N 428.168 4.689 30 10 IJEE C#C[C@H](NC(=O)NCCc1c(OC)ccc2ccccc12)c1ccc(Br)cc1 1564998821 CRCVSSDGJVRFSK-NRFANRHFSA-N 437.337 4.827 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cccc(Br)c1)c1ccc(Br)cc1 1564999203 IAUICLRAOZDIND-KRWDZBQOSA-N 436.147 4.728 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCc5cc(OC)c(OC)cc5[C@H]4C)[C@@H]3C[C@H]12 1565537378 RTGZNAKHJPYKJA-XCEYDDEHSA-N 439.596 4.937 30 10 IJEE C=CCc1cc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(OC)c1OC 1583898530 FBGZHPXIXZGFDR-HTAPYJJXSA-N 446.950 4.648 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1 1587315458 OEKNHDZRCKKWSS-NRFANRHFSA-N 431.454 4.932 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1CCCCC1 1593735840 RYZWZXKAPCOFEP-UHFFFAOYSA-N 434.588 4.740 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCOC)CC1 1594203163 ZXNRBPHBRWZVAU-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C)s1 1594521006 JIOZANPAKKQQMX-UHFFFAOYSA-N 443.642 4.878 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCc2c(ccnc2O)C1 1594651073 FYQGQHAHIBDHQB-UHFFFAOYSA-N 435.597 4.898 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC)[C@@H](C)C1 1594679228 BGZWHDZLNYWJNX-NRFANRHFSA-N 432.616 4.849 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1oc(CC)nc1C 1595134436 ZWZCYYDJVBAFGS-HXUWFJFHSA-N 439.535 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1csc([C@H](C)OC)n1 1595196064 JWIRTWFTBHCWRJ-KRWDZBQOSA-N 446.580 4.884 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1OC 1596629171 HPBNVKQSBGPEBH-XYELWLDHSA-N 444.572 4.521 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2n1 1611188700 XBWMGKRJIKDLBO-KKSFZXQISA-N 443.334 4.687 30 10 IJEE C=CCn1c(Sc2ncc(C(N)=O)cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 1611760531 FTRZGBQDZHNXRZ-UHFFFAOYSA-N 427.961 4.727 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2CC(C)(C)N2CCCCC2)o1 1612022375 DHOSXJNAUPYLMQ-UHFFFAOYSA-N 426.609 4.877 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(C)C)C1)OC 1613503260 CHTXTMKGUYJBAV-GOTSBHOMSA-N 439.604 4.519 30 10 IJEE CC[C@@H](Oc1ccccc1/C=C1/S/C(=N/c2ccc(C)cc2O)N(CC)C1=O)C(=O)O 1614236362 POMBFGGDMUYPIV-ZJDCKKAPSA-N 440.521 4.567 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1 1616818426 VAHNYFWSEYEQLN-YTTGMZPUSA-N 443.528 4.547 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 1617967163 OUZKHRUJUCCAHS-OPAMFIHVSA-N 425.916 4.597 30 10 IJEE C=CC1(CC(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1620988408 KRPUTLOZSLLTLJ-UHFFFAOYSA-N 446.544 4.777 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1OC)c1ccccc1 1621946493 VDXXPKUSIZJUKQ-MRXNPFEDSA-N 428.323 4.583 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(I)c(Cl)c1)c1ccccc1 1627435469 LTUPSBWIPNHTCH-QFIPXVFZSA-N 445.709 4.798 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@H](C)CCc2ccc(I)cc2)C1 1634918674 LSPSVISXCYLHDU-WBVHZDCISA-N 426.342 4.610 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC[C@@H]1Cc1ccccc1 1637150328 LYZIFROIMLOUTR-DHIUTWEWSA-N 432.564 4.884 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cccc(Cl)c2)[nH]n1 1638245837 WWRIQOCCEKMKQU-OAHLLOKOSA-N 425.316 4.705 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O 1645353209 CFSJYZFPPBZBDF-GAJHUEQPSA-N 432.520 4.751 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540520 RZXCYHBDDMDLIE-HUUCEWRRSA-N 445.654 4.698 30 10 IJEE COc1cccc(C2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)CC2)c1 1653299681 HCZIQWHXSQSXPW-QGZVFWFLSA-N 437.609 4.961 30 10 IJEE C=CCN(Cc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1)[C@H](C)COC 1655043529 ZRQOOGVVKJBPTO-CQSZACIVSA-N 427.492 4.869 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Br)cc(F)c(F)c1N1CCCCC1 1659628807 MNXMZNWAOKEAOD-JLTOFOAXSA-N 429.349 4.788 30 10 IJEE C#CC[C@H]1CCN(CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)C1 1660118034 IXSLKQDDTPZHHE-QFIPXVFZSA-N 426.564 4.748 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(CCC#N)cc2)c1 1660400721 DGFJYEVTOXQDCW-UHFFFAOYSA-N 447.512 4.706 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1665644380 OBIDWSFZNFQADM-YOEHRIQHSA-N 436.375 4.599 30 10 IJEE CC(C)N1CC[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1668176134 AHDXLUBZVXKBTJ-FQEVSTJZSA-N 426.948 4.737 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 1672282464 QKTQQRGUVOOXNO-PMVMPFDFSA-N 428.960 4.878 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1noc(-c2ccccc2C)n1 1672708526 PCWLIVFMJKKHNP-UHFFFAOYSA-N 443.301 4.694 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccccc1 1674192773 GSUKKUDCZMJRHJ-FQEVSTJZSA-N 431.458 4.817 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1)c1ccc(F)cc1 1674202568 NSLNUXQMPPENOU-AVYPCKFXSA-N 449.448 4.954 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C 1678742090 PUGHYKCHMODKQR-QGZVFWFLSA-N 441.399 4.795 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1683676783 VOPRLSYQFDLRBN-AUSIDOKSSA-N 431.964 4.589 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)CN1CCCC1 1689831424 KTUWEOGBEUAZMG-RBUKOAKNSA-N 448.640 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(Cl)cc1 1689837941 PNNRLPYILDSLAX-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)c1ccsc1 1690260225 CZHZXDJFUUXJBS-XMMPIXPASA-N 433.581 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1690265362 NFZJQYHMFBFBAI-IBGZPJMESA-N 449.640 4.658 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1690313224 NYIRDAXZBFQIMR-JOCHJYFZSA-N 425.621 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@H](C)C1 1690420422 NPCUHSABRZFSGV-MRXNPFEDSA-N 446.617 4.515 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(N2CCC(OC)CC2)CCCC1 1690519473 KOJKFHZGQBDGAH-UHFFFAOYSA-N 444.023 4.644 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(C)(COC)CC1 1690648215 PILMJBLSNIRQSU-UHFFFAOYSA-N 432.996 4.690 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](SC)C1 1690683738 TTXUZGXTMQQJEV-JOCHJYFZSA-N 449.624 4.599 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1690736683 LYTWZYHAZVLTQX-MRXNPFEDSA-N 427.643 4.791 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1705664345 ZKCCNBJSBPHKJN-HXUWFJFHSA-N 426.586 4.777 30 10 IJEE C=C(Br)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(CC)cc1 1705692728 QXFROTMFFOGPDK-MRXNPFEDSA-N 449.303 4.936 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1705707216 HDFBRXNTSVPQHD-MLYOOKFZSA-N 445.633 4.636 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](CC(C)C)N(C)C)CC1 1705763198 QMBLEWJPQUIKAG-PMACEKPBSA-N 429.584 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1705765945 IFHDRYDGTAKKNA-OFNKIYASSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2csc([C@H](C)OC)n2)CC1 1705783642 OHSNANVUFTXMPI-INIZCTEOSA-N 441.576 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)CC)C1 1705790114 JLOUCVSYUQXVAI-KRWDZBQOSA-N 429.996 4.696 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1705820857 BNVIZHMWQSNJEF-KRWDZBQOSA-N 436.510 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc(C)cc1OC 1705868107 BMKHJVAHEWRHMZ-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCCC[C@H](SC)C1 1705912913 YKRNXJJTZRCUKA-NRFANRHFSA-N 435.597 4.675 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)C1 1710933378 AIMFVEXWNQWRLZ-GOTSBHOMSA-N 446.624 4.873 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1722319219 LMZUNWCOYBBXPT-OAQYLSRUSA-N 435.616 4.631 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1722321191 YOLKFYHKGRWAEA-UHFFFAOYSA-N 439.972 4.884 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCC1(C)C 1722446656 HFIAYPOLXMEGCG-FQEVSTJZSA-N 433.556 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1722467524 TWIOOUWTQLEOHY-DZNWXHPMSA-N 440.563 4.610 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 1722507874 HEOXTKUEFQUCHE-XLIONFOSSA-N 436.934 4.739 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1722520579 ZUPRMDDJRBKZNS-UHFFFAOYSA-N 439.604 4.825 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCCCC1 1722529745 BBVHEBLSMXEUJV-UHFFFAOYSA-N 428.577 4.714 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](c2cccs2)N(C)C)CC1 1722568167 CXMBKVZODDUORZ-OAQYLSRUSA-N 437.613 4.686 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1722596586 LDEKYBPBQPNFRL-RUZDIDTESA-N 449.643 4.723 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1oc(CC)nc1C)C1CC1 1722645224 FGKAJMYEGFOZCF-UHFFFAOYSA-N 442.361 4.770 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CCC1CCN(CC(F)(F)F)CC1)C1CC1 1722650697 IZFHTPNJZIYEBI-UHFFFAOYSA-N 427.559 4.686 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1722734179 WNYSXIBIIPXLJB-OAQYLSRUSA-N 437.613 4.871 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@H](C)CC#N)s1 1724359001 CDOOMVNJLYSFGD-CYBMUJFWSA-N 430.375 4.864 30 10 IJEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)C1 1730551756 HRUQQSXTYYZCKM-URXFXBBRSA-N 444.583 4.514 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1740592708 FKIJBQYEOUOYSH-GMAHTHKFSA-N 437.607 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1csc([C@@H](C)OC)n1 1740727621 SHAAJYLNCDCWFB-IVZQSRNASA-N 441.988 4.803 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1740744658 DGJSKLVINXJATH-UHFFFAOYSA-N 449.368 4.624 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCN(C)CC(F)(F)F)CC1 1740821804 SBKVBGQNGUUANJ-UHFFFAOYSA-N 444.505 4.534 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1740846277 UBOBOEYQYGDROY-FXAWDEMLSA-N 425.602 4.914 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CCC2)C1 1740860176 XAWZPJRVFLJCJE-UHFFFAOYSA-N 426.561 4.708 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740892660 KUTPZVXMHLLLEJ-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@@H]1C 1740922288 BHNOIXVINNNJRX-IBGZPJMESA-N 437.613 4.692 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1749085444 BOKBFEALCSFOMC-VAMGGRTRSA-N 445.405 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(c2ccccc2OC)C1 1749157975 BPIDXCLXANVPMS-HXUWFJFHSA-N 425.621 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCSC2(C)C)CC1 1749334701 LDEHNFMDNGOWFU-SFHVURJKSA-N 442.629 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)o1 1749358685 OQWWAPSDZFHKJJ-UHFFFAOYSA-N 430.350 4.934 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC=CCC1 1749537185 BMMPVLVQKVIYKV-DNQXCXABSA-N 449.643 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)C(F)(F)F 1760097497 GASBLHOTILYPRO-HZPDHXFCSA-N 438.494 4.863 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(SC)CCC1 1760104407 YBEGGXSXMSLLRA-HNNXBMFYSA-N 433.419 4.760 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760133053 XOXNJYMUZNXSMM-IBGZPJMESA-N 440.954 4.888 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc2cc(Cl)ccc2s1 1760229039 BHTIQTUTTUDHHO-UHFFFAOYSA-N 443.363 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1CCOc1ncccc1Cl 1760291117 BUJQNFZMODUNEH-XMMPIXPASA-N 435.959 4.627 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCCC1 1760298379 FRFFBUOVKSUUBF-HHHXNRCGSA-N 449.643 4.767 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(CCc1ccc(F)cc1)C1CC1 1760304733 DXFVZVRVAIUEPL-UHFFFAOYSA-N 442.336 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(C)C)C1 1760320437 XGMBZHVDEUQGKU-ZJOUEHCJSA-N 429.996 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCO[C@H]1C(=C)C 1760331829 ZSTOETZBZJFVJF-REWPJTCUSA-N 432.572 4.719 30 10 IJEE C=C(Cl)Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(Br)cc1Cl 1760380566 HMZYHDIDMUZCPE-UHFFFAOYSA-N 428.121 4.591 30 10 IJEE C=C(Cl)Cn1c(N(CC2CC2)C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760387868 QOGZPEAWOKKERS-CALCHBBNSA-N 436.000 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(C)nc2)CC1 1760398051 KEPXOZWNDQLTOC-UHFFFAOYSA-N 438.373 4.862 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](NC(=O)OCC)C1)c1ccccc1 1760417807 IUPZVJNOBUBERZ-KSEOMHKRSA-N 439.604 4.866 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](COC)C1)c1ccccc1 1760418064 MEZQXPYZECHNQN-JTHBVZDNSA-N 431.584 4.871 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760425757 VFWDAYPVHMSJEU-VJBWXMMDSA-N 429.653 4.967 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCC(C)CC2)CC1 1760441225 AXPTWIITPWVDJB-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCCOCCn1c(N2CCC(n3c(C)nc4ccccc43)CC2)nnc1C(C)(C)C 1760453451 WXNHUBSSKPKCAQ-UHFFFAOYSA-N 436.604 4.668 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2cc(C)cs2)cc1 1760531742 YGNZAGNKSFAINF-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1 1763411350 GMANBNDFPXPGTK-IQGLISFBSA-N 448.571 4.527 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCC1(C)C 1769819075 HFXQCKCSOBOQED-OAQYLSRUSA-N 432.572 4.624 30 10 IJEE Cc1csc(N=C2S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N2C)n1 1772733742 LDBXQRKSYLYAQQ-HOEQWYPASA-N 426.479 4.854 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nnc(C)s1 1772740157 YXPWCCUMGGSLEV-YRXZHPSBSA-N 441.494 4.639 30 10 IJEE CCCOc1ccccc1NC(=O)Oc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858913232 XNWUFNAIPQMOCM-UHFFFAOYSA-N 429.476 4.888 30 10 IJEE N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)oc2c1CCCC2 1859482139 BIEGKTHWXOPPSG-UHFFFAOYSA-N 445.862 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862416105 CRNDZWCFCJYPJP-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCN2CCCC2)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862442561 SPFCPUPJIVWCRK-QFIPXVFZSA-N 438.955 4.794 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2F)c1 1862491669 YLIPURNBFNRKSS-QFIPXVFZSA-N 443.490 4.975 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862506702 UKSZSYAXGUQRGV-FQEVSTJZSA-N 426.444 4.811 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862554874 MPDPBSPBPTWDHH-HSZRJFAPSA-N 430.479 4.537 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862559655 UBWIRSNROGVAMK-XORNHQRDSA-N 434.536 4.825 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862590810 QIPUMTKVHLTJLR-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621381 PHUWLVPAPVDROI-QFIPXVFZSA-N 447.874 4.847 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 1862703292 TUJNGUCFEZGNTB-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863123431 NIWXXNDKFSASFP-UHFFFAOYSA-N 432.483 4.999 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863253594 PFIPQCNLQPETEE-UHFFFAOYSA-N 435.527 4.918 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccccc2Cl)C1=O 1863778512 PSPMCFQGQZWESW-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE CC(C)COc1cccc(C(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)c1 1870109746 HJVYHYWGHQBHKJ-UHFFFAOYSA-N 444.322 4.792 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN2CCC(O)CC2)cc1=O 1870413268 XPASMYUZRLTPJW-UHFFFAOYSA-N 426.601 4.511 30 10 IJEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871380977 HLALRQVHQZRGLS-AGWINUGJSA-N 431.375 4.969 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871388853 FUTYFNYQTVBGLV-UUYOSTAYSA-N 432.403 4.977 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871496492 BVJJRLZBISCVTR-UHFFFAOYSA-N 428.584 4.681 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871641268 LDGCXIGVUXMNFZ-UHFFFAOYSA-N 446.574 4.686 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872141526 NFCTYXYXFSGBLH-IBGZPJMESA-N 441.380 4.978 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1ccccc1 1872211296 ADSJDNXYCCKVOA-JOCHJYFZSA-N 428.598 4.824 30 10 IJEE COc1cc(Cl)c(C)cc1N1CC(=O)C(c2nc(-c3ccccc3)c(C)s2)=C1N 1872724877 WPBGBVHZJOTKLD-UHFFFAOYSA-N 425.941 4.806 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3c(OC)cccc3OC)n2)cc1Cl 1872785705 TZDJBLOYVHTDGX-ZDUSSCGKSA-N 428.897 4.979 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(C2CCN(C)CC2)C1=O 1873029508 JSTZCLUGBXWALL-UHFFFAOYSA-N 443.607 4.730 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3cc(OC)c(OCCC)c(OC)c3)[nH]c2c1 1873504464 XHAIYTABNXJHLW-UHFFFAOYSA-N 435.524 4.850 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(O)c1 1874314248 JXGUNUBEKOHUPA-YZSQISJMSA-N 444.560 4.952 30 10 IJEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(=O)OC)cc1 1874331270 DSQJFCFJKFAFJP-PCLIKHOPSA-N 436.581 4.851 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2-c2cccs2)c1 1874424260 CAHFKZMDCGUFGE-WSDLNYQXSA-N 444.582 4.579 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2C)c1 1874447422 BNDARLZDZRSWKS-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874465450 KBSFKVZHELJFHB-WSDLNYQXSA-N 435.465 4.635 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2Cl)o1 1874466511 NOSUPDZGOAIABA-SSDVNMTOSA-N 442.884 4.746 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C(C)C 1874512082 UXPBTOJGQNIQOZ-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2cccc(F)c2)nnc1C(C)C 1874512219 MTMJVUYJUTUGPZ-WYMPLXKRSA-N 444.532 4.741 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1/N=C/c1ccccc1OCCCC 1874568153 JTIHDRQPGOOSDU-LFVJCYFKSA-N 438.553 4.772 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)cc2)cc1Cl 1874636320 VGAJWEUKFFWIOG-XBXARRHUSA-N 428.897 4.719 30 10 IJEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br)c1cnccn1 1875120840 MSFMTMGSGLTCQA-ORCRQEGFSA-N 445.219 4.633 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2ccc(OCc4ccccc4)cc2)C3)OC1(C)C 1879734171 YWSZPIRLCPDNAP-LVXARBLLSA-N 433.357 4.964 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1c(F)cc(Br)cc1F 1891038637 WMILGASCSAARIF-UHFFFAOYSA-N 448.185 4.558 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[C@H](C#N)CC1 1895798081 BENSTZZGPDETCZ-MHPIHPPYSA-N 445.563 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(I)sn1 1909820479 JPGSKVHHZSLOTN-KRWDZBQOSA-N 428.339 4.561 30 10 IJEE C=CCN(CC(=C)Br)[C@H](CN)c1ccc(Cl)c(Br)c1F 1916873172 BLBJWEZXGXHQEE-GFCCVEGCSA-N 426.555 4.638 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2020307976 IXHQHYVDPCQFLY-KKSFZXQISA-N 436.557 4.853 30 10 IJEE Brc1ccc(N=C2N[C@H](CC3CC3)CS2)cc1I 2029989230 JXQGNVSLLGHEPX-SNVBAGLBSA-N 437.144 4.546 30 10 IJEE CC1([C@@H]2CSC(=Nc3ccc(I)c(Br)c3)N2)CC1 2033117020 ZVQURAUXZALQFL-NSHDSACASA-N 437.144 4.546 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2038525366 OIPQUGVYJLIWBX-ATIYNZHBSA-N 446.632 4.668 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NC 2041202118 CCEOUQIXYFEHAB-SJORKVTESA-N 429.786 4.540 30 10 IJEE N#Cc1cc(Br)cc(N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c1 2043997057 FZWOIKJLUYWJLZ-HXUWFJFHSA-N 440.341 4.924 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2060625786 OENDYTYQDNCDKE-INIZCTEOSA-N 430.354 4.732 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 2089286435 NYVAHGDNKKYMKX-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1cc(Br)cc(F)c1C#N 2107437724 BSIYQHZQQGCPHU-SJCJKPOMSA-N 426.330 4.907 30 10 IJEE C[C@H]1C[C@@H](C)N(c2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2118156608 MSIVGOUNURRABF-OLZOCXBDSA-N 426.330 4.684 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1cc(Br)c(C#N)cc1F 2174816030 ZGTBFVCXRMOVPQ-IAGOWNOFSA-N 438.341 4.828 30 10 IJEE CCN[C@@H](CC#C[Si](C)(C)C)[C@@H](O)c1scc(Br)c1Br 2187473334 IHONCHGVOCDUQG-WCQYABFASA-N 439.289 4.556 30 10 IJEE CCc1ccc(C#C[C@@H](N)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231156784 YIZOYJJOSQZTFI-NAKRPHOHSA-N 448.607 4.772 30 10 IJEE CC1(C)OB(c2cccnc2Nc2cc(Br)c(Cl)cc2F)OC1(C)C 2232320706 KUERQEPBZAZCAM-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1C(=O)C#Cc1ccccc1Br 2235717894 KKWRUVNJTIRPJR-GOSISDBHSA-N 432.358 4.940 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2235728426 MHIMVGQLXKFURQ-WOJBJXKFSA-N 431.374 4.558 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@H](O)C#Cc1ccccc1Br 2235741529 UQXKEUCHJQDNAE-HXUWFJFHSA-N 430.342 4.601 30 10 IJEE C=C(CN(C)C(=O)c1cccc(C)c1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256606058 PWSQIUOLPWIDON-UHFFFAOYSA-N 430.354 4.602 30 10 IJEE CC1(C)OB(c2ccnc(NCc3ccccc3OCc3ccccc3)c2F)OC1(C)C 2266050759 GDDNMSJSHXCYDA-UHFFFAOYSA-N 434.320 4.711 30 10 IJEE CC1(C)OB([C@H]2C[C@H](C(=O)N[C@H]3CN(Cc4ccccc4)C4(CCCC4)C3)C2)OC1(C)C 2267562642 FHBYKYFHHPAABT-YPAWHYETSA-N 438.421 4.562 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H](N)C#Cc2cccc(Br)c2)cs1 2278724276 AROLFEPWNBRUMJ-IUODEOHRSA-N 436.375 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@@H](O)C#CC1CCCCC1 2289618227 BCTHJWZAQRSWKS-PMACEKPBSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2296231263 BPDRGOBORMHXAA-LJQANCHMSA-N 446.366 4.966 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2296276816 MEXPZBYTICTQLT-YVWKXTFCSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(CNC(=O)OC(C)(C)C)C[C@H]1C 2296295433 CWIDHFNKIBLVNY-PERKRYKHSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2296300298 GJILCRQAYMKULT-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)C=Cc1ccccc1 2296927872 DXRNOFPZWAOQQM-HSZRJFAPSA-N 426.428 4.777 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2305317183 SQCXMSKYWTVHHG-AIFLQVKLSA-N 428.573 4.601 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2306613821 YNGGUSNOFZRNDY-VWLOTQADSA-N 428.573 4.699 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2nc(O)c3ccccc3n2)cc1 2321178291 QUUXEUBALGEKNK-UHFFFAOYSA-N 448.552 4.589 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c4c(cc(C)c3C1=O)OCN(CC(C)C)C4)cn2C 2322071592 MUECCPKTPUJHHM-UHFFFAOYSA-N 432.520 4.919 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)cc1OC 2323289160 CZJOKWYPVMJHBF-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2CCc2ccccc2)c1OCc1ccccc1 2323503839 KJBGWAZLEIBKRE-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(F)cc1 2323808792 YVAKHBQHNDWGCU-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2324272398 IAMBLJNCKULTGR-UHFFFAOYSA-N 439.552 4.937 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324451260 SFUVZDPLBMWARF-HNNXBMFYSA-N 433.435 4.857 30 10 IJEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2324666213 KGBQWPSBTBFLDN-UHFFFAOYSA-N 440.879 4.958 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2325427050 ITQAOGANQGYPAE-MRXNPFEDSA-N 431.444 4.813 30 10 IJEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2325631371 YIWWCXANXXSKKJ-UHFFFAOYSA-N 432.472 4.950 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccccc2OC)cc1OC(=O)C(C)C 2325723858 XXTCLIWAUFUURD-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE COCCC(=O)Oc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC 2325755893 BLRSJTVNQAGAJB-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE OCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2326625572 VOYLDEQKZSHIQV-UHFFFAOYSA-N 436.968 4.837 30 10 IJEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC1(F)F 2327090191 BNDWMCNOVLBCFF-RPBOFIJWSA-N 440.582 4.538 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)cc1 2328572106 JKWJYOOSPQPDJI-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE CCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SC)cc1OCC 2329626993 OOLYLIMHEKZDBE-UHFFFAOYSA-N 430.599 4.916 30 10 IJEE CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329655784 VUYJENVDZAHVDE-UHFFFAOYSA-N 430.599 4.915 30 10 IJEE CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330881459 AWTMBLMRIAFBDQ-IBGZPJMESA-N 428.945 4.966 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)cc1 2330910451 HGHVBRJBBQXPFN-HXUWFJFHSA-N 426.517 4.842 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 2330961416 OYQLLGYJXDWPRS-GOSISDBHSA-N 443.916 4.866 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccs2)n(-c2cccc(Cl)c2)n1 2331669996 FGTASLVLIPCNQZ-UHFFFAOYSA-N 425.945 4.813 30 10 IJEE COCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331708622 AQVDKIRKZWPFGN-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOC)c(Cl)c2)c(OCC)c1 2331734104 HNTQIPDBXUKKKP-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)cc1 2331734178 RGEPTKSTUQVUIP-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE CCC[C@H](CN[C@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2338511411 FPCBKNZBZYIRAW-NHCUHLMSSA-N 446.441 4.720 30 10 IJEE CC[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339574039 BOKROMTXDAVTCB-QHCPKHFHSA-N 433.405 4.827 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582499 QXFVVGPUFMIVTB-IEBWSBKVSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339595094 FMJNALMYDBFSGK-NFUCUESTSA-N 441.381 4.536 30 10 IJEE CCC(C)(C)N(CCC#N)Cc1ccc(I)c(Br)c1 2349837070 PXSFTVORNWDCNL-UHFFFAOYSA-N 435.147 4.958 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CCC[C@@H]2N1c1ccc(C#N)c(Br)c1F 2355478354 UPELPEWVWBDQAI-CFVMTHIKSA-N 438.341 4.732 30 10 IJEE Cc1cc(CN2CCCN(Cc3ccccc3)C(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369741170 IDPJVKPXRLHDJN-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@H](N)C#Cc2ccc(Br)cc2)C1(C)C 2370456031 MHGKOZRGKPCSGJ-BHIYHBOVSA-N 435.406 4.848 30 10 IJEE CSc1cc(NC2CC3(C2)[C@H](NC(=O)OCc2ccccc2)C3(F)F)ccc1C#N 2382185067 UBPOGLPYZIEYJQ-BIXGBWIQSA-N 429.492 4.785 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc1)C2=O 8823802 JZEHLTVARXAEEH-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cc(OC)c1OC 9495993 HYWFORKFAULWLO-QFIPXVFZSA-N 433.508 4.720 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)c1 33452605 SSSRDBJVHNSYTD-NRFANRHFSA-N 434.517 4.710 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(C)cc3)n2)cc1 33959934 YGWKCBMYMKZVOX-HYARGMPZSA-N 428.583 4.595 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCC)cc2)cc1 34932202 KFHCNFOPZKECJO-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)cc1 38623311 URAMLFPFYFJKJU-QZTJIDSGSA-N 430.504 4.556 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccc(F)cc1 59021549 MTSHJSRKKYQMSC-WGARJPEWSA-N 434.500 4.664 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1ccc(OC(F)(F)F)cc1 59311178 DVWDWCYKKCOMJA-UHFFFAOYSA-N 442.467 4.556 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccs2)cc1 169988849 OAZBWTKNJMVQSP-HSZRJFAPSA-N 433.529 4.854 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@@H]1c1ccccn1 169996676 VDIHQMWBLOAIQW-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccncc2)c1 170014990 AJPHNKRNJKXQTD-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2)c1 170036465 NRSLUSZOIWKCCQ-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 170071738 JEHVSLBKRLUJBM-XMMPIXPASA-N 446.522 4.899 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c(C)[nH]c2ccccc12 170103819 MXBMFLGUFWBYHW-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 170126245 CSOLXCQGZUEDRX-JOCHJYFZSA-N 434.492 4.564 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccc(O)cc3)ccc2O1 170135745 FVTDKICZYJRFIL-NPMXOYFQSA-N 433.504 4.627 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccccn1 170170370 RCKFYATUPAFMFH-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)cc1C(C)C 170173141 DFSRKKAFMROKME-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(O)c(Cl)c1 170220310 VIRLTXBPGNEOCS-HXUWFJFHSA-N 429.900 4.659 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(F)cc2)c1 170238795 RPGSWULDWOUFBJ-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cn(C)c2ccccc12 170269445 YMWCYOPTBREHDH-OAQYLSRUSA-N 438.911 4.829 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170455271 IEFAKJJDULUMTO-NRFANRHFSA-N 446.551 4.924 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 441447921 LWRFFSRHYNMKNH-UHFFFAOYSA-N 433.274 4.749 30 10 IJEE C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1Cl 443152836 BVJZYAXUAUVGEG-SECBINFHSA-N 446.212 4.580 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 460958351 OGKYAJVHYCRVBY-HYBUGGRVSA-N 446.551 4.889 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508719803 WJAJGFUYZILVLM-UHFFFAOYSA-N 440.494 4.678 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 513617442 RZLSKAHIBAMDRZ-GOSISDBHSA-N 437.477 4.735 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)cc2)c1OC 526520294 HNFRVMJEUBCPAY-HSZRJFAPSA-N 426.472 4.941 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 557604808 ADWYAHIYQFDYLU-DEOSSOPVSA-N 436.600 4.680 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 558452239 FNAFFVMWLVTTQD-OAHLLOKOSA-N 442.491 4.537 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 570346587 NAVJJJPZAFAOTO-DEOSSOPVSA-N 445.542 4.883 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 573142035 CCLGWUAHFWANIY-LJQANCHMSA-N 431.323 4.721 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 687747853 NOQAHWQYKXJJOZ-SANMLTNESA-N 426.472 4.787 30 10 IJEE C=CC[C@@H]1CCCCN(C(=O)c2cc(Br)ccc2I)C1 703669511 GASLIAIJGBKKKU-GFCCVEGCSA-N 448.142 4.872 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cn1ncc(C(=O)OCC)c1C(F)F 731205383 OIPQRUGGNWZHLG-UHFFFAOYSA-N 446.267 4.545 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(CC)cc1 733202108 NMZBRVOQHQCSRC-HXUWFJFHSA-N 441.503 4.511 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCc3cc(F)ccc3[C@@H]2C)cc1OC 737965233 QHRYYQVUBSILRP-KRWDZBQOSA-N 428.504 4.510 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cc(C)ccc1C 742214971 OPUPQCRTEDYUBH-QFIPXVFZSA-N 444.560 4.549 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 786931002 SKZQOPMDFYNWJS-NRFANRHFSA-N 449.551 4.797 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc4nc(O)oc4c3)cc2)cc1 794713459 DITKNWCDYVFPCT-AWNIVKPZSA-N 429.428 4.795 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 810326494 SXWJVPWPXRDUPP-UHFFFAOYSA-N 438.915 4.643 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(C#N)cc1C(F)(F)F 811672532 CPKZEXUMGONUPE-GOSISDBHSA-N 435.858 4.750 30 10 IJEE C=CC[C@H]1N(c2nnc(CNC(=O)OCc3ccccc3)n2CC(=C)C)CCCC1(C)C 812182568 NPNYFWNWJCFLIO-OAQYLSRUSA-N 437.588 4.852 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@H]3C)no2)ccc1Cl 904815236 CMBBRJMYINNLHS-RHSMWYFYSA-N 429.929 4.895 30 10 IJEE C=CCOC(=O)/C=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 1084171205 ALDSBLDCDWTHHZ-TWGQIWQCSA-N 448.269 4.687 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1125613381 ZOVKDOGHILTXPC-PXNSSMCTSA-N 430.545 4.784 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)CCCC1(C)C 1128469268 PHVDDJKVGRTPQY-QHCPKHFHSA-N 437.584 4.802 30 10 IJEE C#C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 1129735458 NXSFLITZZYZRQF-OAHLLOKOSA-N 443.784 4.699 30 10 IJEE C#C[C@@H](NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1)C1CCOCC1 1131256858 HXZKJONDRVHXKE-GOSISDBHSA-N 426.563 4.648 30 10 IJEE C=CCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1138282706 CVOVVKXLYYELKK-UHFFFAOYSA-N 427.353 4.751 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 1145063196 FPHQPSGMKNUSHQ-AEFFLSMTSA-N 442.959 4.771 30 10 IJEE C=CC[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCN(CC)C3 1165321433 MCXXLVNCONHHBL-OAHLLOKOSA-N 441.622 4.891 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1Cl 1188289113 FLYWOJMABVULEN-QAPCUYQASA-N 428.863 4.845 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 1199786815 IXHFHWBINAILKA-QGZVFWFLSA-N 435.446 4.941 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)cc1 1206483741 YAJICMMGRGGERM-UHFFFAOYSA-N 438.875 4.874 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 1215510601 VJVVZYNRPJZVEE-UHFFFAOYSA-N 448.473 4.845 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccccc3CN(C)C(=O)OC(C)(C)C)cc2n1 1220157562 NKAPRIHYRRHYJH-UHFFFAOYSA-N 449.555 4.911 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](COC)c1ccc(F)cc1 1228984703 WSZOWLBAENOSKO-IBGZPJMESA-N 439.300 4.813 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC)c1ccccc1 1254762599 HNTHYYIFRZWVTC-FGZHOGPDSA-N 445.604 4.751 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(I)cc2)cc1OC 1264055313 WADHSJLYAPGYGW-WZUFQYTHSA-N 435.261 4.517 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1OC 1270458245 XVGFFRHRHWLKOY-ZXGCVLBKSA-N 428.326 4.708 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1OC 1277021672 DDPIDQDEYXYXDG-BHXMCPEJSA-N 444.572 4.518 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1Cc1cccs1 1286316498 JGRBCOUYOJHVPH-IBGZPJMESA-N 435.553 4.930 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1286355465 PRJPYJUGCXMKLI-IBGZPJMESA-N 443.636 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@@H](F)C1 1286421287 CWGXNVUBSHFPQV-DHIUTWEWSA-N 443.570 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)c1nc(C)cs1 1286434239 VFJJRIMBSUSMLG-HXUWFJFHSA-N 447.608 4.505 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N(C)C[C@H](C)CC 1286547033 HRVDHFBJFPGLBF-CQSZACIVSA-N 439.423 4.970 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1cc(Br)cs1 1286547264 NSUCSYORYNRNHU-PBHICJAKSA-N 439.423 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)Oc1ccccc1 1286569936 HHXBPRHKFFTOLH-MRXNPFEDSA-N 444.377 4.906 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1286717634 DRYIBBYRSTZAFY-ZIAGYGMSSA-N 442.361 4.591 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCOc1ccccc1Cl)C1CC1 1286737780 WDOYNCRTGKZORZ-UHFFFAOYSA-N 429.977 4.521 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286743417 GXKSKWMPLFSYFI-OAQYLSRUSA-N 437.588 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)on1 1286747641 MLGDJYUMQMZZAL-UHFFFAOYSA-N 426.933 4.592 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(Cl)c1 1286748786 BJPZEEDLLYDXPN-KRWDZBQOSA-N 444.988 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1Cc1cccc(NC(=O)OC)c1 1286750337 YEOOXDZEMRHKLR-UHFFFAOYSA-N 437.569 4.711 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cccnc2)c1 1291634425 CWEROYNDZOIMKS-NRFANRHFSA-N 425.529 4.849 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCC1(COC)CCCC1 1300324877 OAXNGIKNPHSKBN-FQEVSTJZSA-N 426.630 4.934 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](OCC)C1 1300347137 AIJIATMBQSVZQS-QUCCMNQESA-N 426.630 4.940 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1300733270 IVIQYGWIPRVAPP-ZWKOTPCHSA-N 430.593 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1nnc(C(C)(C)C)s1 1300907248 XTQJAFCJYUCPGC-UHFFFAOYSA-N 431.997 4.593 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC2CC2)CC1 1300928603 ISNFFJOVSWWCGG-IBGZPJMESA-N 444.023 4.796 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1300939217 SIRWRDLQMYNCMR-NRFANRHFSA-N 430.618 4.895 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1301130204 RWQQAIJDYFNNIA-QHCPKHFHSA-N 433.600 4.752 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2ccccc2)CC1 1301136118 YTORXFVAHNHCQB-DRLORSAXSA-N 438.616 4.507 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@H](O)C1 1301358033 VKCDBFVOZRNSKN-QUCCMNQESA-N 438.597 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1nc(C)c(C)s1 1301372355 KUMPDYFVNNLAFQ-UHFFFAOYSA-N 445.596 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCO1 1301374936 HNGDIMCZOZLZDK-OAHLLOKOSA-N 437.769 4.718 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)SC 1301379841 VSCMVCHVDCFFIJ-AWEZNQCLSA-N 437.407 4.646 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301531412 LRQKEOFKRHTNLO-RXVVDRJESA-N 438.597 4.547 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)c2nccs2)C1 1301542002 HSKLEMFARLAVRB-MAUKXSAKSA-N 429.977 4.640 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@H](SC)C1 1301621556 ZYSRNAHTOHXIOG-IBGZPJMESA-N 436.622 4.637 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)C1 1303304196 DQVKUJOOCBUXJK-QFIPXVFZSA-N 434.632 4.737 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1 1304192604 CAGVGPCTQPDIER-UHFFFAOYSA-N 425.573 4.692 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1 1307561266 KXMDJHBTUFDCKU-NRFANRHFSA-N 438.593 4.905 30 10 IJEE C#C[C@H](NC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(Br)cc1 1310089191 DKUOYCTVZVDXTA-HNNXBMFYSA-N 435.705 4.760 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 1320184973 CABYIEKVEBUMRO-BKHFDQEPSA-N 449.532 4.939 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 1349101485 HNVDUHAXEMRPAF-MUUNZHRXSA-N 443.543 4.985 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 1355028278 YFWIXQJIWPVWPG-AUUYWEPGSA-N 441.355 4.928 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1358921906 MSZRUJPSVBUNRW-LJQANCHMSA-N 445.405 4.905 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1358938714 IBYYZPPKWRNYNP-WIYYLYMNSA-N 426.536 4.509 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C(CC)CC)N(C)C 1359003396 JHEFKAJHZROEKD-WIYYLYMNSA-N 441.689 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1359073662 ZSECLKNISIZZFR-PMWMKWCKSA-N 436.600 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccccc1F 1359098363 AJHQBMCDPSSCBQ-AVRDEDQJSA-N 430.568 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCO[C@H](C)C1 1359109880 SHHXWPPMFWGBFV-RTBURBONSA-N 428.577 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(NC(C)=O)c1 1359116669 UDIPEQDGIAPWCD-FGZHOGPDSA-N 439.604 4.606 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(C)C)CC1 1359135761 NNWSBLAABXKURZ-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(OC)c(F)c2)CC1 1359176101 MJLCGKCEAZFDCB-UHFFFAOYSA-N 441.938 4.786 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)cc2O[C@H]2CCOC2)CC1 1359179516 XDESIJFATUOXAY-QFIPXVFZSA-N 438.616 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)c1ccco1 1359187361 KTHCOZVDOHEYAA-QGZVFWFLSA-N 446.555 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1359189593 OZLHLVREAPQGBR-NRFANRHFSA-N 442.510 4.920 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 1359226441 GCBXPLHEXQMJMG-LJQANCHMSA-N 449.393 4.511 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@@](C)(CC)O1 1359258947 HWUIYZSJDFGGEM-ZEQKJWHPSA-N 431.584 4.804 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1359268472 RLWXBHKBDLJKHT-UYAOXDASSA-N 445.405 4.947 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1Cc1ccnc(SC)c1 1359275437 UGQPETNNJULLFS-UHFFFAOYSA-N 442.592 4.740 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](OC)C1 1359337121 KGUORXHJBJGQHA-GOSISDBHSA-N 441.626 4.521 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCSC1 1360480448 AAXMFJYDXPAETE-KGLIPLIRSA-N 440.400 4.655 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1nc(C(F)F)cc1C1CC1 1434994704 CNSDVVGEACCVTM-UHFFFAOYSA-N 442.279 4.815 30 10 IJEE C#C[C@H](CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1436650377 BGSOOMFMGGIPAP-OAHLLOKOSA-N 445.375 4.861 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccc(F)c(F)c1 1447976443 ZPHSEIQGWRQOJA-LEWJYISDSA-N 428.479 4.745 30 10 IJEE C=CCONC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1449685696 DUGRWLDFJCQURP-RUZDIDTESA-N 442.515 4.809 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)C1CSC1 1453158899 HHDAHAUFFQVEJA-UHFFFAOYSA-N 437.362 4.855 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)c1 1455946841 DIOPFXFYWKBSDP-UHFFFAOYSA-N 441.531 4.935 30 10 IJEE Cc1nc(SCC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c(C#N)c(C)c1C 1456246926 GHCDJROMHGXKJH-IBGZPJMESA-N 432.014 4.941 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 1468240944 LGZHTQMPDYYPMX-UHFFFAOYSA-N 425.941 4.783 30 10 IJEE CC(=O)c1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1C 1476291466 NRGKVUBEKLIYNR-CHWSQXEVSA-N 444.322 4.832 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1478245174 HVGWMSHZMFMKLI-JWQCQUIFSA-N 426.516 4.577 30 10 IJEE CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC#N)CC1 1493502931 AANNTOVEQCWORN-GOSISDBHSA-N 440.661 4.602 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CC#N)N(C)C 1496627732 DHBOMFFFGRBQGG-NTKDMRAZSA-N 447.631 4.907 30 10 IJEE CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1499350270 AWXAKEPFSABWTR-QAPCUYQASA-N 435.601 4.639 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)C1 1505206399 GJYKENLDJNFIBM-FCHUYYIVSA-N 439.629 4.888 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1507519210 YLQBMZKAHDBWPU-VWNVYAMZSA-N 445.007 4.981 30 10 IJEE C#CCCCn1c(Cc2ccccc2OC)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1507590615 FASVHTMOXMAXER-GOSISDBHSA-N 437.613 4.816 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOCC)CCC1 1507668993 PWHUXZCVBTURFV-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)CC1 1507796139 LBUSJENUQLPANL-AZUAARDMSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC1CC1 1507796593 MRZIGMFZDZRENO-UYAOXDASSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)c1ccco1 1507803206 FMNABCNCQSHIJS-DGGJZMOXSA-N 442.510 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC1CCCCC1 1507806578 SOZXSJGQXDKWDZ-KNQAVFIVSA-N 429.634 4.632 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1507838089 ZHWNAGXHBVPDIX-XZOQPEGZSA-N 448.615 4.530 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1507897467 OPZJTXCVGATXIH-IBGZPJMESA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1507905311 SYQMYDOWHOCLKJ-WOJBJXKFSA-N 427.662 4.701 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@](C)(CC)O1 1508007477 CACPODRKVXAASW-GJZUVCINSA-N 449.574 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)C(C)C 1508012495 YIFKDGUUJHMEJM-IBGZPJMESA-N 433.394 4.865 30 10 IJEE C=CCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066859 XZEJGXVBJIONJX-GLDPYIMESA-N 427.593 4.562 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 1508103905 ILZOAHWFHROYAC-UHFFFAOYSA-N 439.648 4.648 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cc1OC 1516115429 CBMHZHVGONBQBV-JOZWUWCOSA-N 448.332 4.922 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CCc1cccs1 1518011962 BMASKUYHNBNVFO-UHFFFAOYSA-N 427.961 4.651 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(I)c2)cc1OC 1524699181 HMNNBEGBJBOKMF-JXMROGBWSA-N 449.288 4.825 30 10 IJEE C=C(CNC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C)c1ccccc1 1527586267 XNOSVCNNQXUQCW-UHFFFAOYSA-N 427.426 4.520 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1528662714 ZHTZZCMIYWVLKK-DEOSSOPVSA-N 443.544 4.765 30 10 IJEE C#CCN(C(=O)CCSc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1529627865 ZXVLNSPLPFLBTM-LJQANCHMSA-N 430.367 4.917 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)c(OC)c1 1532525495 JATDITAQUUHASP-UHFFFAOYSA-N 433.552 4.984 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(C)cc2C)c2c1CCC2)c1ccc(Br)cc1 1535483505 LLGCLGYUNGMZHC-FQEVSTJZSA-N 448.364 4.845 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 1539052640 HMOVLGITBUBZOW-FQEVSTJZSA-N 440.563 4.758 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cscn1 1539134072 QZSMUTCHDMYNIQ-UHFFFAOYSA-N 436.368 4.670 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 1539252264 BDFURMSTJCHMCZ-UHFFFAOYSA-N 433.718 4.669 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(OC)C1CC1 1539336975 IEJSNFGTOIMYTO-QHCPKHFHSA-N 443.016 4.502 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)C1 1539578673 BKPYTJPETKUIGR-ZBFHGGJFSA-N 435.366 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C1CC1 1539620492 LROKJYYHXBBPSS-APWZRJJASA-N 431.378 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCS[C@H](C(C)C)C1 1539648191 ZXCOYKZWPIGDRW-FIXSFTCYSA-N 440.657 4.622 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1539733969 XDLFQOUAPOPLGT-GOSISDBHSA-N 441.988 4.853 30 10 IJEE C=C(C)COCCn1c(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C 1539759808 LCGJANZBGFWWFI-QGZVFWFLSA-N 447.649 4.500 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1539971820 USYVCTWDFFFOSM-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1540142588 MORFLDUCINLREF-WOJBJXKFSA-N 443.661 4.689 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCc2ccccc21 1540193900 DUXJILCTSLPCBA-LJQANCHMSA-N 437.975 4.752 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1540911868 FIPHMXZTBBSTIG-QZTJIDSGSA-N 430.618 4.754 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 1542656266 YLPLNRCDXBRODQ-FQEVSTJZSA-N 427.545 4.558 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC1(C)C 1555114205 FIDOFZWOYTUHCM-GOSISDBHSA-N 425.602 4.755 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2sc3c(c2c1=O)CCC3 1559328899 RHDNKYYIIUJIIK-UHFFFAOYSA-N 439.606 4.987 30 10 IJEE Cc1c(C#N)c(NC(=O)CSCC(=O)OC2CCCCC2)n(-c2cccc(F)c2)c1C 1559402911 HPPZECWNXGPYQA-UHFFFAOYSA-N 443.544 4.653 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 1561303233 DSEUAZWMFQKJLC-UHFFFAOYSA-N 448.388 4.954 30 10 IJEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(-c2ccccc2)cc1 1561471084 MCTXZTLDJRWSMG-VWLOTQADSA-N 449.572 4.705 30 10 IJEE COC1CCN(C2(CNC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CCCC2)CC1 1562673376 HUEFWSRQRNRAAI-UHFFFAOYSA-N 448.567 4.896 30 10 IJEE C#CCC1(NC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CCOCC1 1563486808 PNUIJDXGSSVBDF-FQEVSTJZSA-N 435.955 4.825 30 10 IJEE C#CCSCCNC(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1564114056 BNZODFOICALGSV-LJQANCHMSA-N 440.462 4.630 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)c1 1565699531 QVPZFBPYMNDVPZ-UHFFFAOYSA-N 440.609 4.516 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H](n3c(CC)nc4ccccc43)C2)c(OC)c1 1567811554 KFFNXPCPWRULMF-FQEVSTJZSA-N 433.552 4.578 30 10 IJEE C=CCn1c(SCC(=O)O[C@@H](C)c2cccnc2C)nnc1-c1ccc(Cl)cc1 1586689898 YZHIRNYTFOCDCN-HNNXBMFYSA-N 428.945 4.884 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@](C)(C#N)C1 1587745989 FXVIXSOUBFEYIK-NRFANRHFSA-N 426.362 4.641 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CC=CCC1 1587883417 ACZPUINYPFZEAZ-SFHVURJKSA-N 443.389 4.826 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1587941428 AGSOQBCTSJFIEW-HFZDXXHNSA-N 439.559 4.635 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN(CC(C)C)C1 1589192259 MSCGRUMFSJHJRE-NBGIEHNGSA-N 440.035 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC(F)(F)F 1589567829 GIQSFFDGVSSCEN-APWZRJJASA-N 440.535 4.859 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(C2CC2)C1 1589600287 ZQJDCOVLRROHMC-RBUKOAKNSA-N 444.023 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CCCN(C)C(=O)OC(C)(C)C 1589636647 BRKXWPXIYZGFIA-UHFFFAOYSA-N 431.556 4.744 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCO[C@H]2CCCC[C@H]2C)CC1 1594071059 XUOGWUFMNAHFGE-KNQAVFIVSA-N 440.588 4.714 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1)c1ccccc1 1594545527 UGPVXDUREQUFDR-JOCHJYFZSA-N 449.643 4.818 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC2(CCOCC2)C1 1594738552 AAEZOXOADWDXHV-UHFFFAOYSA-N 433.021 4.591 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC(=O)NC(C)(C)C)C1CC1 1595026784 RSHGAARRCXSKDX-MRXNPFEDSA-N 445.995 4.531 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nnc(C)s1)C1CC1 1595037795 KTELMPOJWOJMQP-UHFFFAOYSA-N 435.384 4.809 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1)C(C)C 1595166826 YUHQHYAANURHDC-DHIUTWEWSA-N 444.023 4.516 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCN1CCC 1595200488 FPAOBFWUNDUTID-NRFANRHFSA-N 432.616 4.880 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1595234417 SHYMGXGITMGZJK-NHCUHLMSSA-N 431.584 4.779 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1595845297 QZUQTGQKZOKLQO-PXNSSMCTSA-N 448.608 4.728 30 10 IJEE C#CCCCCCC(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1603433701 MXHJGZLDRCVJCY-CPJSRVTESA-N 426.557 4.590 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(NC(=O)CC(C)C)c2)o1 1612026474 FVSSZGVNZZHMBG-UHFFFAOYSA-N 446.555 4.619 30 10 IJEE C=CCn1c(SCc2c(C)nnn2CC)nc2scc(-c3ccc(C)cc3)c2c1=O 1613096745 HUHADMSMZNUIPO-UHFFFAOYSA-N 437.594 4.832 30 10 IJEE C#CCCOc1ccc(C(=O)N(C)c2nccc(-c3sccc3Br)n2)cc1 1616284781 MNCMXQPSHYRYIT-UHFFFAOYSA-N 442.338 4.646 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 1616751970 ITCPRQHFBZQHGO-QZTJIDSGSA-N 442.581 4.647 30 10 IJEE CO[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)CC#N)C1CC1 1618973872 HLZXDUYGAWSWMJ-BBRMVZONSA-N 429.977 4.977 30 10 IJEE CCc1ccccc1Oc1ccc(Cl)cc1CNc1[nH]nc(N2CCOCC2)c1C#N 1621061885 FREROMNJCWUKHK-UHFFFAOYSA-N 437.931 4.738 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc3ccn(C)c23)c1 1621595779 PHTHNBUNJPLLHW-UHFFFAOYSA-N 447.512 4.742 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(Cl)cc(Br)c1OCC 1622723943 UPAYDUSLXQBSCV-UHFFFAOYSA-N 437.721 4.835 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](c4ccc(C(F)(F)F)cc4)C3)n[nH]2)c1C 1624695569 SPWCLGWHOHFNAX-KRWDZBQOSA-N 443.473 4.725 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 1627462569 LGRUOJICXDCNLV-PZJWPPBQSA-N 440.588 4.969 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccccc1OCc1ccccc1Br)C(=O)OCC 1627752494 QAFUDEBULBJOSX-LJQANCHMSA-N 446.341 4.656 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 1627924927 RHTXADMKNHONSQ-UHFFFAOYSA-N 440.496 4.834 30 10 IJEE Cc1cccc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c1NC(=O)c1ccncc1 1628142979 GZPNUNUQHYAPDZ-UHFFFAOYSA-N 428.492 4.944 30 10 IJEE C=CCNc1ncc(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)s1 1629346464 SKHBGYANSBVXCS-UHFFFAOYSA-N 440.216 4.794 30 10 IJEE C=CCCCCCCNC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1635113973 ODPUXVHWBRCGGT-KRWDZBQOSA-N 426.401 4.891 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](CC)C2)c1 1635587296 UIAPKWXINQHJOR-KRWDZBQOSA-N 432.973 4.593 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2ccccc2Br)C1 1636098586 KIALHLRAMOXMDO-NQIIRXRSSA-N 429.358 4.719 30 10 IJEE C=C[C@@H](C(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1636483883 ZKANJRWBYBOSMP-FUHWJXTLSA-N 426.563 4.696 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccccc1)c1ccccn1 1637747930 MSMOQMZQLKVCNG-FPOVZHCZSA-N 443.975 4.560 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nc2sc3c(c2c1=O)CCC3 1640683600 HFFXNQXEJQSMIR-KXBFYZLASA-N 445.654 4.650 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nnc1-c1ccccc1F 1643491785 SBSLBFRAJATNEH-GOSISDBHSA-N 446.910 4.960 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1[C@H](C)C(=O)N(CCC#N)c1ccccc1 1657605797 FKNGAWLRFRQCMC-TZIWHRDSSA-N 442.007 4.973 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)cc2)nc1 1658735899 FZQIPMVRYKVWSE-QHCPKHFHSA-N 428.492 4.551 30 10 IJEE CCO[C@@H]1COCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1659578864 BMWAWBJMZRSBCO-AZUAARDMSA-N 449.429 4.685 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 1659596520 HHOADIYKBMGMDC-INIZCTEOSA-N 430.907 4.986 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCN(C)C)Cc3cccc(C(F)(F)F)c3)cc21 1664929701 SMEGLFSJFXUBNO-UHFFFAOYSA-N 445.489 4.837 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)c1ccc(Cl)cc1F 1669023811 STWZNQKCNAVCBP-INIZCTEOSA-N 447.695 4.923 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1)c1ccc(Br)cc1 1672418810 YPAVLTPTUDJDNQ-OAHLLOKOSA-N 425.204 4.690 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC1 1673223062 GSKUMTRYEDNJAX-UHFFFAOYSA-N 436.512 4.692 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC 1673590975 BCKIETMYGPNDIY-UHFFFAOYSA-N 425.504 4.817 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)CCOc3ccc(Br)cc3)cc2n1 1680698838 XEKYRFMUWXBHKQ-UHFFFAOYSA-N 429.318 4.528 30 10 IJEE C=CCC1(CNC(=O)N2CCC(Cc3nc(C)c(C(=O)OCC)s3)CC2)CCCC1 1681085227 SBACHENVYXFBRL-UHFFFAOYSA-N 433.618 4.729 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1)c1ccc(Br)cc1 1683508616 WVIFKJRZRYCFPM-GJZGRUSLSA-N 439.762 4.621 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1684704493 NQARTRYHZFHCGS-AGRHKRQWSA-N 435.749 4.852 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1)c1ccc(F)c(F)c1 1686173978 TYLHABUMONHIHV-LFRPXUGBSA-N 430.499 4.753 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1 1686174068 WFIABNDPNIUUMI-RXYZOABWSA-N 445.485 4.773 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@]1(C)COc2ccccc2O1 1687165759 IWJPKMCOPSTBRZ-OAQYLSRUSA-N 449.320 4.516 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](OCC)C1 1689879730 FQJOKDIRFBOYIE-HNNXBMFYSA-N 437.407 4.578 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1CC 1690095552 UNYLTAVHQXVKSX-MJGOQNOKSA-N 445.405 4.620 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(CC)s1 1690264030 NQRYVLSQCKCUEZ-UHFFFAOYSA-N 434.569 4.669 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C)c1ccccc1 1690322476 GXOHRRRKICZFLD-NZQKXSOJSA-N 435.616 4.780 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccccc2OC)CC1 1690367402 NFJPKHYGJPHGNN-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCSc2nccs2)CC1 1690377643 KYVQISFDFIUDQV-UHFFFAOYSA-N 447.580 4.942 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)C(F)(F)F)CC1 1690415319 HKCFDMGRBRCXPN-UHFFFAOYSA-N 438.494 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690422513 QUULFCAUEPDMJY-OAQYLSRUSA-N 444.023 4.502 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCCCC1 1690449325 DHOWVNXSYBWNFO-JOCHJYFZSA-N 440.588 4.668 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@H](F)C1 1690556485 YGAAUXKZMACMPU-SFTDATJTSA-N 435.547 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCNC(=O)c1ccc(C)cc1 1690573716 ASZQIFFKNAXDLP-UHFFFAOYSA-N 437.613 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CC1(COC)CCOCC1 1690575960 IEDSXALGZIQFOG-UHFFFAOYSA-N 438.597 4.642 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1690629935 LBJYUQFUNIAEPH-UHFFFAOYSA-N 445.321 4.545 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1690736338 AUJWGWCOHNLNEA-NRFANRHFSA-N 449.580 4.817 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1690753061 YZJWJTITSZQCPC-BDTNDASRSA-N 442.629 4.653 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(C)(F)F 1692826310 CHFNBPCWTCVEOP-YJYMSZOUSA-N 427.858 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)C1CCCCC1 1705478031 VNPBQISADAYCPA-HOOSLVGPSA-N 445.007 4.861 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@H](OCC)C1CCCC1 1705610182 FYTCFQOMNFITPY-DEOSSOPVSA-N 433.600 4.882 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1cccc(C)c1 1705695070 HPVZABAOEIIVSA-NFBKMPQASA-N 436.556 4.651 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705721964 LZORAGGDZGZQRB-HXUWFJFHSA-N 437.632 4.508 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(Br)cc1 1705732351 WQTIDBTVVAGSML-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1705739315 BUMBTTVYFXVBHE-GHTZIAJQSA-N 430.980 4.872 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@H](C)C1 1705860474 IPPHJGCHCXERAP-KNQAVFIVSA-N 447.608 4.810 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1705892977 UJJIITQXHZWYIX-OAHLLOKOSA-N 441.269 4.870 30 10 IJEE CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1708875638 DRCRUEYXGVFFQX-DEOSSOPVSA-N 438.551 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCCc1nc2c(s1)CCCC2 1722302331 RIPASBVCDSBBMI-HXUWFJFHSA-N 447.652 4.879 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC(C)(C)OC[C@@H]1C 1722311471 WODYSESJDQLYAQ-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCC1CCCC1 1722346557 SUEUDGAIZWDEKM-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)C(F)(F)F 1722347355 GLSACJGUYTXFNM-UHFFFAOYSA-N 432.446 4.775 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1nccs1 1722375108 HPPIMBWZRMRKLX-UHFFFAOYSA-N 447.564 4.585 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722432971 VZSZKSMIKOVGNW-NFBKMPQASA-N 447.583 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)C1CCCCC1 1722510545 SKLVEDQEXXIKHR-AVRDEDQJSA-N 429.634 4.774 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2ccsc2)N(C)C)CC1 1722582543 LPVFZTDMWQLTHR-JOCHJYFZSA-N 439.604 4.775 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722612423 RWTNAHXMYMHBLC-UHFFFAOYSA-N 436.991 4.903 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccccc2)CC1 1722625732 WQEJHEFMMNBDEO-UHFFFAOYSA-N 437.975 4.970 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC=C(Br)C1 1722626004 FWPZUYDNVCGCRQ-UHFFFAOYSA-N 437.769 4.680 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(CC)C1 1722674931 HZPAQKFWEXPVEM-LJQANCHMSA-N 439.991 4.768 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1OCCC1(C)C 1722677577 CALWABNUGCNHRE-GOSISDBHSA-N 439.387 4.706 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1722681827 UAISSFKJXVQZSU-GMAHTHKFSA-N 426.605 4.673 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)c1ccccc1 1722686157 QTDDHKSAZKJOII-LJQANCHMSA-N 439.604 4.819 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@@H]2C)C1 1722713650 GJDXBBNBRHAJBS-XKGZKEIXSA-N 445.405 4.925 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@H]1CC 1740633940 ZFFZPMGRKKDHKP-CVEARBPZSA-N 431.403 4.668 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCCC1(F)F 1740658295 HBIZBDQQQYQHDA-OAQYLSRUSA-N 440.538 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H](C)c1ccccc1 1740662513 MHFUPXVQVVLHHB-QGZVFWFLSA-N 440.389 4.699 30 10 IJEE C=C(C)COCCn1c(N2CCS[C@@H](C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1740799625 QJMGXYMWFUHXKS-PMACEKPBSA-N 426.630 4.671 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740813318 CLDTXIVNZUEXAN-NRFANRHFSA-N 430.980 4.622 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCn2cc(Cl)cn2)CC1 1740825891 ZEAGDVNEOUSJGS-IBGZPJMESA-N 440.979 4.741 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1740842301 UZAZMUQOGFPXAM-CYFREDJKSA-N 428.552 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](OCCOC)C1 1740845153 GTRPIBFUTROLPE-HXUWFJFHSA-N 438.572 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1740848121 CHLYBBPBADQKRJ-NRFANRHFSA-N 445.558 4.727 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 1740855370 UXNRCBJTXZSTST-HSZRJFAPSA-N 437.632 4.845 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccon1 1740860716 NJYAXUVWIXVMAA-UHFFFAOYSA-N 434.313 4.827 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740893335 GNZYQBVKUHRSSI-LPHOPBHVSA-N 445.995 4.866 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCO[C@H]1C(C)C)C1CC1 1740914050 ZXPNIJOXYXGZLA-JPYJTQIMSA-N 428.552 4.602 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCCc1cccc(C)n1 1740917443 SMGGZBQTTVMOOT-XMMPIXPASA-N 442.567 4.530 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1C1CCC1 1740995121 AIVWXDDKICTHDX-NRFANRHFSA-N 439.629 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCSC1 1748680379 RFVGJQGCGNUPHR-RTBURBONSA-N 447.048 4.853 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCCO1 1748699811 SNZBCFLXQOCDGL-NQIIRXRSSA-N 430.980 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)c1ccccn1 1748913926 BZSRWSHHPPGKKI-UHFFFAOYSA-N 444.402 4.601 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCC 1748938836 FQIWALNOJRXUKU-HXUWFJFHSA-N 446.064 4.948 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(F)F)C1 1749114435 CBOAKCJQTZNEEN-RBSFLKMASA-N 447.368 4.587 30 10 IJEE CO[C@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1749158083 HKFNRQFXQIMXES-PMACEKPBSA-N 447.505 4.801 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CCCC2)C1 1749212879 AFZGFYYTPJULEO-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1749342064 VBDAXVGVUINROO-SIKLNZKXSA-N 444.023 4.531 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)N1CCCC1 1749554414 SHMUKURFNLMZMH-FPOVZHCZSA-N 429.634 4.648 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1749701431 UGGRTQCPUZGGGX-WOIUINJBSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](COC)C1 1749745650 CODCSCBGGJRNMT-ROUUACIJSA-N 446.686 4.913 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(C)C)CC1 1760104670 CHIWEJAYSIIWBO-OAHLLOKOSA-N 431.378 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Cc1ccc(OC)cc1 1760125002 NIQGATWIRWIRLZ-IYRWYFENSA-N 438.616 4.542 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760227109 VIXYEGNROAOXAV-MHECFPHRSA-N 445.558 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCOC1 1760292141 QYMKDHWGGXNJHN-QFQXNSOFSA-N 436.600 4.789 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N(C)C[C@H]1CC=CCC1 1760310331 BKXNKVQKWUXTIB-SFHVURJKSA-N 431.378 4.601 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(C)(C)C)CC1 1760342102 SBISATCDQAAKJX-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1760418089 MMMYRXIMKWIRBJ-GMAHTHKFSA-N 431.584 4.953 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760423374 XLUBTMUAGGDAGR-NRFANRHFSA-N 444.645 4.612 30 10 IJEE C=CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1OCC(F)(F)F)C1CC1 1760475743 SJNXMVBOVYICBK-GOSISDBHSA-N 436.478 4.582 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N(C)C 1760481891 KSKFNLSFOLYZSD-UHFFFAOYSA-N 449.624 4.556 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCCC1(C)C 1760490910 NCMOKRQHVGCPSY-SANMLTNESA-N 431.584 4.921 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760500108 SJJPJGHQNJZUBB-RLWLMLJZSA-N 448.615 4.679 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCOC1 1760501290 MDYOSTHSLQPSRB-HXUWFJFHSA-N 440.975 4.777 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCC1(F)F 1760505683 DLKLSHGNOKUGFY-IPMKNSEASA-N 440.579 4.661 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760512414 GTXCVSPNNAMIJF-OKILXGFUSA-N 441.320 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC[C@H](OCC)C1CCCC1 1772523141 OHVYGUKGOZQWCY-JYFHCDHNSA-N 436.600 4.931 30 10 IJEE Cc1c(N=Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(O)n(Cc2ccco2)c(=O)c1C#N 1772741541 TYEMVQFONWODOZ-UHFFFAOYSA-N 447.329 4.718 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4cccnc4Cl)CC3)cc2)c1 1860686129 TWRNTBOGDBEYMV-UHFFFAOYSA-N 443.890 4.755 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 1862584840 IWFBYERVMJBSJH-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862673289 BXYKXPBKGTYLOX-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOc2ccccc2)c1 1862674303 LVBBFOZVOQAVRF-HSZRJFAPSA-N 431.463 4.791 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOC)cc1 1862679464 DOXCGOHUMKWFAG-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879088 HPQVCPSGQYWWLJ-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(N(C)C)c3)C2=O)cc1C 1862879102 PARRWJLBZMWLNB-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862976855 JHVJDJNPZWGVCG-UHFFFAOYSA-N 448.482 4.615 30 10 IJEE C=CCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2cc(Cl)ccc2Cl)C1=O 1863727167 JUBHGVKMSCKZLK-UHFFFAOYSA-N 440.330 4.573 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(Cl)cc1 1864096000 XOQNYBZWKBEGKK-IBGZPJMESA-N 430.980 4.553 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866724081 MHLMCVKXMVYSLG-RPWUZVMVSA-N 449.620 4.935 30 10 IJEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)COc2cc(Cl)ccc2Cl)c1 1870146155 GGOUMYTXKGMCIK-UHFFFAOYSA-N 444.322 4.761 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)c1ccc(Cl)s1 1870153262 KLVJRZHUKMCCMC-UHFFFAOYSA-N 435.896 4.685 30 10 IJEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1870811308 SYGXNYUJKNABDK-UHFFFAOYSA-N 433.552 4.903 30 10 IJEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 1871394695 LRBGHZSLKVQQQC-NDENLUEZSA-N 441.524 4.656 30 10 IJEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579973 GGFXNGKTJWMVFJ-UHFFFAOYSA-N 428.600 4.915 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871878141 BXNMYLRYZNZNBW-HXUWFJFHSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872018303 GFDCSRNKMZAQJZ-QFIPXVFZSA-N 428.598 4.968 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(-n4cccc4)cc3)C(=O)N(C3CCCCC3)C2=O)c1 1873199398 AEVVPCRWITVZEF-UHFFFAOYSA-N 436.515 4.874 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203465 RNQCZZQMEBFTIU-UHFFFAOYSA-N 441.531 4.953 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N(CC)CCO)ncnc2n1CC(C)C 1873578352 HQQVBOBNZYKMDA-UHFFFAOYSA-N 445.652 4.776 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)cc2)cc2c(NCCCC)ncnc21 1873604229 PONIDBNETDZVCQ-UHFFFAOYSA-N 428.334 4.844 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1ccc(C(C)(C)C)cc1 1873675595 FZWYROHDCQSIHM-UHFFFAOYSA-N 431.561 4.763 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(F)c(F)c1F 1873685289 IDRZTCDRLYISRE-UHFFFAOYSA-N 448.466 4.793 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc2c(c1)OCCO2 1874243964 HSJADIHPFWYLGM-MFKUBSTISA-N 438.597 4.802 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874265435 XGMSEUMXLHFVKM-FOKLQQMPSA-N 444.944 4.775 30 10 IJEE OCCCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874376865 SNKLYDPPBOBNGU-FSJBWODESA-N 439.343 4.672 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)OCCC)nnc2C2CCC2)cc1 1874498448 IVKQVGADYZAFFX-HZHRSRAPSA-N 430.574 4.652 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)ccc1O 1874520462 NWMLRZMDSNWOEZ-UFFVCSGVSA-N 429.889 4.597 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2Cc2ccc(C)cc2)cc1OCc1ccccc1 1874561170 GXWCTCPDQGHRRX-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c([N+](=O)[O-])c2)c(C)c1 1874634940 BBLKUUSAGNBJAW-SOFGYWHQSA-N 448.475 4.704 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)c1ccccn1 1874697090 MXCZHBXGUILCJV-VZUCSPMQSA-N 438.277 4.968 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1874698667 IPTXALZGPVVZDQ-OUKQBFOZSA-N 448.471 4.836 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)C(F)(F)F 1875110793 CLQCEYPCMZYRDL-KRXBUXKQSA-N 429.188 4.822 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Br)c2)cc1 1875113960 HJRRGKPHKGYYRO-VZUCSPMQSA-N 438.277 4.968 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875121206 FBBZFQJAFBLDIV-BQYQJAHWSA-N 438.867 4.571 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 1875136358 LEKMKLAFUOTKRW-MKMNVTDBSA-N 432.472 4.893 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1OC 1875151514 NYINCFRMGGNOPS-DHZHZOJOSA-N 446.455 4.938 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cncc(C)c1 1875161794 HVXRDJSJXLWEMT-QPJJXVBHSA-N 439.414 4.801 30 10 IJEE CC(C)N(CC#CCNC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1)C(C)C 1891141871 ZLSMENOELQCOAN-UHFFFAOYSA-N 448.607 4.831 30 10 IJEE CC1(C)OB(c2cc(CN3CC[C@@]3(C)CCOCc3ccccc3)ccc2F)OC1(C)C 1892547795 ZPMWJNMZMIFRKD-SANMLTNESA-N 439.380 4.696 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1976433488 CYIPKVJSJBLSOK-KUHUBIRLSA-N 435.487 4.715 30 10 IJEE C=C(C[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)OC 2004194709 RRWBCLONNWTIFK-DHLKQENFSA-N 432.605 4.749 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@H](C)O1 2004943852 GHLFSDCRYLSYNI-FCJDFRRUSA-N 432.605 4.588 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 2011944385 AZIVUSBNBMVCNN-UHFFFAOYSA-N 431.508 4.860 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC1CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 2020329359 LILLGPJAXQJGAY-UHFFFAOYSA-N 437.625 4.663 30 10 IJEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2065622942 VVGRCMPWNUNRMD-CYFREDJKSA-N 445.560 4.736 30 10 IJEE CC(=O)Oc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2080102817 ZCVUHAGARLUIJI-OAHLLOKOSA-N 442.235 4.851 30 10 IJEE Cc1ccc(Cn2nc(C3CCOCC3)c(C#N)c2Br)cc1C(F)(F)F 2080340497 BPXVAVHXISTENU-UHFFFAOYSA-N 428.252 4.787 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(Br)cc1F 2102880064 KTESSTUDOHLXQL-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCNc2cc(Br)cc(F)c2C#N)C1 2107450219 GNYIXXNJIDZTDL-CYBMUJFWSA-N 426.330 4.909 30 10 IJEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 2118191401 FBDGHJWFASPRRF-OLZOCXBDSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)C(F)(F)CC1 2163688655 UUMQTBHMPWUSBU-OAHLLOKOSA-N 448.283 4.907 30 10 IJEE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)cc(F)c1C#N)C2 2163706208 OGMFWJXYRWBDOQ-SZPZYZBQSA-N 428.349 4.808 30 10 IJEE CC(C)(C)[C@H](N)C#Cc1sc(Br)c(Br)c1Br 2212189811 PDEJZBBJOXXLQU-SSDOTTSWSA-N 430.003 4.761 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1(C)CC1 2235720501 HKXVUBWHTUVEFR-RTBURBONSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CSCc1ccccc1B1OC(C)(C)C(C)(C)O1 2246707950 SPKKUXDOJQDXSP-SFHVURJKSA-N 433.423 4.619 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)c1 2255875245 VBTJXUGGRKUEPB-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CC1(C)OB(c2cccc(F)c2C(=O)Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2281792620 WKCFHNHLLRBIMN-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(O)C#Cc1ccc(Br)cc1 2296271567 FYFSLIIUHBACSR-YZKRDWPBSA-N 434.374 4.635 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2296273535 PGFRFOGIIUZCCX-SIKLNZKXSA-N 435.406 4.672 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 2296589864 OHZCUCTYOARIOS-UHFFFAOYSA-N 430.456 4.824 30 10 IJEE CCCCOc1ccc(C=C2SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 2314928112 PYTWQXQWUPNNQF-UHFFFAOYSA-N 440.521 4.806 30 10 IJEE CCCC[C@@H](CC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319667921 BFSWSDKYMVXVQI-GAJHUEQPSA-N 438.418 4.545 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CC2)cc1 2320907495 QHTLAYOLZSEMEB-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2321077993 KAYPACYUCXPAHD-UHFFFAOYSA-N 438.315 4.645 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C2CC2)c1OCc1c(F)cccc1Cl 2321884417 ZHWFPTVKKNCGMV-UHFFFAOYSA-N 432.908 4.707 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)cc1 2322016406 ZUFZQNYOSKAHBC-UHFFFAOYSA-N 433.504 4.882 30 10 IJEE Cc1cc(OC(=O)CNC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2323049385 ILNIUJCQMAENNA-UHFFFAOYSA-N 447.874 4.600 30 10 IJEE CCc1ccc(C=C2Oc3c(ccc(OC(=O)CNC(=O)c4ccccc4)c3C)C2=O)cc1 2323054959 UKPFVAXYGQVNAZ-UHFFFAOYSA-N 441.483 4.509 30 10 IJEE CCCCCOc1ccc(C=NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2323353696 BSRYBWMJYVONRD-UHFFFAOYSA-N 445.368 4.883 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2323472414 GRQMUPCKRHUFBX-DAXLTYESSA-N 442.600 4.992 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1 2323511149 WJRQJIAEFKIJBX-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 2323674917 NMCFCYQSJJNUIS-GOSISDBHSA-N 430.460 4.747 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OC 2324098175 VAYSIKUYKDHRRP-UHFFFAOYSA-N 436.863 4.724 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OCC(=O)OCC(C)C)cc(C)c3C1=O)cn2C 2325068508 YUFYVPXOVXIOKZ-UHFFFAOYSA-N 449.503 4.690 30 10 IJEE Cc1c(OCCN2CCCC2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2325669438 RMERWBKOPUEBAO-UHFFFAOYSA-N 428.326 4.848 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C=Cc1cc(OC)ccc1OC 2325731193 GKYADDLIOUKFNF-JOCHJYFZSA-N 432.605 4.869 30 10 IJEE CCCOc1c(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)cccc1OC 2326661114 BPQAYQOACKSDJP-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE CCOc1ccc(Cc2nnc(SCCCO)n2N=Cc2ccc(C(C)C)cc2)cc1 2328569179 OYUPDESHJRNHHH-UHFFFAOYSA-N 438.597 4.748 30 10 IJEE COc1ccccc1CCc1nnc(SC)n1N=Cc1cc(Br)ccc1F 2328666705 CQFJOWHAZJKSBY-UHFFFAOYSA-N 449.349 4.578 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2N=Cc2c(F)cccc2Cl)c(C)c1 2328907939 NSZZBIFYWJNCKA-UHFFFAOYSA-N 448.951 4.623 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3nccs3)nnc2-c2ccccc2)cc1 2330663887 HNNXJHYNFBHQME-UHFFFAOYSA-N 448.577 4.577 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1 2330676796 RTOLWFPODWBQNU-UHFFFAOYSA-N 439.610 4.738 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(F)(F)F)c1 2331109827 VDCGLJUCQULGOQ-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE COCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2331259934 VNAJKFSLSGKZFZ-UHFFFAOYSA-N 438.450 4.799 30 10 IJEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)cc(OC)c1O 2331443359 FIOMIWDMORWTOB-UHFFFAOYSA-N 444.532 4.513 30 10 IJEE CC[C@@H](NCCN(C(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338513099 PKAWYKWFQRVJMV-OAQYLSRUSA-N 446.441 4.672 30 10 IJEE CC[C@@H](CN(CC)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339542991 KJOQLZHHWYAABB-IBGZPJMESA-N 445.413 4.856 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CC(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339593433 GFHMRRVITSUITJ-ZHACJKMWSA-N 447.360 4.534 30 10 IJEE CN(C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1)C(=O)OC(C)(C)C 2339598376 BUCFFOXWTHWAOM-JKIKYLSZSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@@H](N)C#Cc3ccccc3Br)CCC[C@H]21 2358759745 OWLPIZOVIAPIAP-LCLWPZTBSA-N 433.390 4.554 30 10 IJEE CC#CCN(C[C@H](NCCC)c1c(Br)cnn1C(C)C)C(=O)OC(C)(C)C 2363133791 VBMWFZNPTQFINY-KRWDZBQOSA-N 441.414 4.528 30 10 IJEE CCCN[C@H](C#Cc1nc(C)cs1)c1sc(Cl)cc1I 2366656411 ZWAMLBLLNGKFAR-LLVKDONJSA-N 436.771 4.863 30 10 IJEE C=CC[C@@H](Oc1nc2ccccc2nc1Br)[C@@H]1CCN1C(=O)OC(C)(C)C 2381314580 HNXYFEGUZVYNIR-JKSUJKDBSA-N 434.334 4.725 30 10 IJEE N#CCSc1nc2c(sc(=S)n2-c2ccccc2F)c(=O)n1-c1ccc(F)cc1 3026926 JHFGPUBHTKQMCR-UHFFFAOYSA-N 444.513 4.861 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC)c(Cl)c2)cc1 21254871 FXVMMIQOTXIBQZ-SJLPKXTDSA-N 425.912 4.752 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)NCc2ccccc2)cc1 28778640 UOUKFLXOSVLYNB-UHFFFAOYSA-O 448.612 4.803 30 10 IJEE Cc1ccc(-c2ccc(/C=C3/S/C(=N/c4nnc(C)s4)N(C)C3=O)o2)c([N+](=O)[O-])c1 39866120 JXEKNOKSGKLGOD-FFMSTSLFSA-N 441.494 4.557 30 10 IJEE C=CCn1c([C@H](Cc2ccccc2)NC(=O)c2c(C)noc2C)nc2ccc(OC)cc21 43255464 JHVXMMNXWFGGCU-NRFANRHFSA-N 430.508 4.550 30 10 IJEE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/Nc2ccc(Br)cc2)c1C 59148138 CTAZXUHHTYEJJX-SRZZPIQSSA-N 444.289 4.614 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 63401815 QRDUNYQNQJGOHG-JOCHJYFZSA-N 442.947 4.783 30 10 IJEE O=[N+]([O-])c1ccc(/N=N/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])o2)cc1 103536301 PBLJENWVRDLRTJ-ZJTHLCGRSA-N 425.317 4.562 30 10 IJEE Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C#N)c4ccc(F)cc4F)cc3)o2)c1 111029744 PNERZYVXRUBPDG-NRFANRHFSA-N 430.414 4.985 30 10 IJEE N#C[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(F)cc1F 111219150 HARNSKMNSDRINN-OAQYLSRUSA-N 434.471 4.899 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccn2)cc1 169994746 NPMYNMFQOKHABD-QHCPKHFHSA-N 439.471 4.745 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccncc2)c1 170014875 RVDBJTCTKPLMKB-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170050867 YYAFPCDYDJLHCD-NRFANRHFSA-N 447.874 4.910 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccs2)cc1 170157755 OABZDYWFXQPHJQ-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)cc1 170201966 JOFNCHXAWULVGS-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccco3)oc12 170281799 OFASLXGDXSSBLN-FQEVSTJZSA-N 433.391 4.956 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccco1 170295605 FCDDXXLWIGQEGO-LJQANCHMSA-N 447.915 4.643 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1cccnc1 170316771 OVQSDBQSHOTVFW-HXUWFJFHSA-N 429.501 4.711 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1cccnc1)c1cccs1 170355771 XOTJAOKCYRVTDT-KRWDZBQOSA-N 441.306 4.689 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1cccc(OC(C)C)c1 170475105 MIVZKOHGVDUKPO-XMMPIXPASA-N 437.536 4.993 30 10 IJEE N#C[C@@H](C(=O)c1cc(Br)ccc1I)c1cccc(F)c1 236237052 UJPPUCOIXAAGPI-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE CCC1(CC)CSC(=Nc2cc(I)ccc2Br)N1 380745115 MALDDVJETSCQQF-UHFFFAOYSA-N 439.160 4.936 30 10 IJEE C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502192947 FNUDJKZYXQMLRM-OAHLLOKOSA-N 435.915 4.673 30 10 IJEE C=CCCc1ccccc1NC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 505058463 VJTCLQBLVBFQJU-UHFFFAOYSA-N 440.345 4.812 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 508935546 OCIWDJLDTJGWBR-HXUWFJFHSA-N 428.895 4.510 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526825821 KZVOHVXDCPGIAJ-UUYOSTAYSA-N 429.477 4.548 30 10 IJEE Cc1nc(Oc2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc(-n2nc(C)c(C)c2C)n1 585443018 QECXICMKSLTMNL-UHFFFAOYSA-N 438.491 4.812 30 10 IJEE COc1cc(OC)cc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)c1 586228155 VHJOIPWWIDMOJJ-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Sc4nc(C)cs4)cc3C)cc2C1=O 588373990 WXJCJEQUXRTXSM-UHFFFAOYSA-N 449.557 4.945 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 670209188 VLQIDWQIYQKPPV-UHFFFAOYSA-N 441.645 4.540 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@]3(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698816607 QPFKQSOSCFMUGV-CWRBPYFESA-N 431.577 4.704 30 10 IJEE N#C[C@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc(-c2ccncc2)cs1 734081158 FLNVZXGYGPZSAR-QGZVFWFLSA-N 445.573 4.908 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OC)c(-c2ccccn2)c1 754817164 ITBXQOOFMFLPRO-NRFANRHFSA-N 427.504 4.843 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 759208425 ZEKDBXFLCYKUPL-PMACEKPBSA-N 441.572 4.638 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)NCc3ccc(COCc4ccccc4)cc3)CCO2)c1 761659006 FIPHPHPYVZMTRX-AREMUKBSSA-N 441.531 4.558 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 780676703 CVYGILWBPWOSJY-SPLOXXLWSA-N 438.915 4.611 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1oc2ccccc2c1CSc1ncccn1 804455432 ZRRUWUXWIKNFFS-LJQANCHMSA-N 427.529 4.880 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 904765099 SKEUNBISQUOBHV-LBPRGKRZSA-N 430.933 4.538 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2F)n[nH]1 1084197968 PDYCEVZPOODFQK-DFWORDCYSA-N 444.923 4.829 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)cc1C 1084424370 OCGAWQPMUMYNDC-UHFFFAOYSA-N 430.537 4.752 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc(O)c3)n2)cc1 1084624684 BQBJPZKEKIMJOG-OAHLLOKOSA-N 438.557 4.591 30 10 IJEE C=CCN(C(=O)C1=Cc2ccc(OC)cc2OC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124414708 BAHXNQUYCMFPFF-UHFFFAOYSA-N 449.488 4.722 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1126246661 RWQYFYVZZHQUCO-UHFFFAOYSA-N 447.332 4.542 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2Oc2ccccc2)ccc1F 1126942930 IJUCQLUFUJWBKB-UHFFFAOYSA-N 440.496 4.643 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1128003703 WWTWHQIIPYUGKL-PXNSSMCTSA-N 449.469 4.662 30 10 IJEE C#CCCOc1ccc(C(=O)OCc2ccc(OC(F)F)c(Br)c2)cc1 1129232321 YRINZMMJOFAXDX-UHFFFAOYSA-N 425.225 4.810 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1136026356 SRNCFBMEBDFCKB-SFHVURJKSA-N 449.551 4.860 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)c(F)c1 1138216173 MJUHIYDVHZWLFN-QGZVFWFLSA-N 443.357 4.796 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1OC 1138221311 GBNZCGMJWFYPKG-STISFXCESA-N 436.335 4.820 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1 1142282187 VVRMGHBCXGMHAR-GOSISDBHSA-N 437.968 4.668 30 10 IJEE C=CCn1c(SCCOc2cccc(OC)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164428024 ABJIUCYZYGMIQR-HNNXBMFYSA-N 442.606 4.949 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1ccc(Br)c(F)c1 1169242860 BYWFCIDSGWDCPB-AWEZNQCLSA-N 425.367 4.685 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccccc1CN1CCC[C@@H](C)C1 1177256398 FAUYESYRTCMBTJ-LJQANCHMSA-N 441.413 4.983 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(Br)c3cccnc23)CC1 1193322180 BDRHYWVPLXLCQD-NRFANRHFSA-N 439.332 4.519 30 10 IJEE Cc1ccc(Oc2ccccc2)c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1201606546 HMBDKIVEWVDGTP-XLIONFOSSA-N 436.512 4.668 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1c(F)cc(I)cc1F 1206321851 NOERTZPUKLLWGD-UHFFFAOYSA-N 434.249 4.851 30 10 IJEE CCCOc1ccc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1Cl 1214768736 CWKNYZRZSKXSBY-UHFFFAOYSA-N 426.948 4.787 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)cc21 1220204446 NGFXAKNVJOCXQP-HYBUGGRVSA-N 439.560 4.524 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CCCc2ccccc21 1221901719 VGQYTOWEFXSSAK-CTNGQTDRSA-N 439.506 4.589 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 1227879934 BWDSDLDUSWKAFJ-UHFFFAOYSA-N 430.552 4.731 30 10 IJEE C=CCOc1ccc(CN(C(=O)COc2cccc(NC(=O)C3CC3)c2)C(C)(C)C)cc1 1269612211 RFZBHQUISCJKMA-UHFFFAOYSA-N 436.552 4.806 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2C#N)[C@H](C)C1 1273945982 FJAIMCWNQOLUHD-SQWLQELKSA-N 441.984 4.946 30 10 IJEE COc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)C[C@@H](C)C[C@@H]4C)n2)cc1 1273946542 HUFFAOCGINQFPK-KBPBESRZSA-N 436.537 4.935 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1278997160 AYNOGNBIGRHYPW-XXBNENTESA-N 446.657 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1oc(CC)nc1C 1286300539 BBAINTYNHZXXDO-ZDUSSCGKSA-N 448.354 4.529 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286318412 UYCDVSUYFYAGOC-KXBFYZLASA-N 438.790 4.817 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1Cc1ccc(OC(C)C)nc1 1286455497 FHTAAJPQAVYWAN-UHFFFAOYSA-N 447.558 4.945 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1286497118 NAYYRYCEMACJLZ-KRWDZBQOSA-N 441.551 4.650 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286497667 VSUUJZXBDDWZAO-PKTZIBPZSA-N 448.640 4.533 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cccs1 1286500954 IFBFGNMBJXQHHG-UHFFFAOYSA-N 433.002 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1286556379 CKPMDQCRRLATDN-BEFAXECRSA-N 426.458 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1286567579 RKWQXQHDDOYKIC-LEEZEASISA-N 449.599 4.582 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(C)C)C1)c1ccccc1 1286677963 NATZXRUKXFXIDU-XZOQPEGZSA-N 435.616 4.746 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1286680685 ZKUCZZFXDBPMSE-DNQXCXABSA-N 438.616 4.869 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H]1CC 1286687012 LDVVAAISPVSWEK-OALUTQOASA-N 434.588 4.656 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C 1286750724 GEGISMBYNNMHDA-FPOVZHCZSA-N 441.620 4.549 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](SC)C(C)(C)C)C1 1286805832 UZPFKKWUJBXOBV-PMACEKPBSA-N 430.618 4.513 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286830617 USZDPPJSRSVLTD-UHFFFAOYSA-N 435.597 4.616 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 1292704341 UHPKXQYLAWSCRU-IBGZPJMESA-N 449.979 4.764 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C 1297150403 MJAYEYAKGMBWRS-RXFWQSSRSA-N 444.575 4.812 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H]1CCO[C@@H](C)C1 1300321479 NFKKDFHVIADQGW-FKBYEOEOSA-N 438.616 4.952 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)[C@H](C)CC 1300512012 FNZNDVWEDONFBH-WAIKUNEKSA-N 441.000 4.683 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1300868786 HMWLIUCVHAYUBQ-HNAWSFBYSA-N 433.021 4.910 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1301087788 VDUSPIWWXFMKKP-OAQYLSRUSA-N 430.600 4.550 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCOC)CC1 1301112356 RXJOMEPVUSBKEA-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301189685 ZMYCXUBPAWEDPE-GOSISDBHSA-N 440.542 4.621 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1301209557 YJNLXVHQFNAYBS-LJQANCHMSA-N 425.968 4.615 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1301226514 GAODYUKBUTUQNS-ADKRDUOOSA-N 428.627 4.831 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1301261080 BBYKHJKXLAPSDY-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC(F)(F)F)cc1 1301281754 XQJOTQJWVDNBAX-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)CC1 1301297412 CNVCIHSHMUJSGB-UHFFFAOYSA-N 435.597 4.719 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)c1ccc(OC)c(OC)c1)C1CC1 1301317451 SCZPZHHWSRTEBI-UHFFFAOYSA-N 436.556 4.996 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CCCC2)n1C[C@H]1CC(F)(F)CO1 1301402872 RJYFYERIYVTRBD-OAQYLSRUSA-N 430.543 4.670 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1301436148 QMFHYMVLOZZQIF-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C#CCN(C(=O)c1cc(Cl)cc2ccc(C)nc12)C1CCN(C(=O)OC(C)(C)C)CC1 1303656054 QAPGEIITGFCYBE-UHFFFAOYSA-N 441.959 4.672 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)Cc1ccc(F)cc1Br)c1ccc(F)c(F)c1 1309418775 UBAHJFKBJBDJEQ-QGZVFWFLSA-N 434.277 4.603 30 10 IJEE C#C[C@H](NC(=O)N(CCC)CCOc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCO1 1312541593 JQMIXFLISNPQJM-IRXDYDNUSA-N 433.763 4.628 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1)c1ccc(Br)cc1 1312937808 SZDXPMKDJPEECF-OALUTQOASA-N 431.305 4.818 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1340067447 BQGRAMIUYDIQNT-FQEVSTJZSA-N 442.567 4.736 30 10 IJEE C=CCCn1cc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(C)cc4)c3C)cs2)nn1 1351050697 GPBWSVRSYIQULK-UHFFFAOYSA-N 432.553 4.946 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1OC 1357768706 JYNWGOFTMAASRX-VWTAQGJOSA-N 447.362 4.975 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCc1ccc(Cl)cc1 1358914975 NOOBICCTDNGENQ-UHFFFAOYSA-N 446.986 4.652 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1358939642 ARSIEZDGZWPLKO-BKMJKUGQSA-N 431.584 4.770 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CCC1CCN(CC(F)(F)F)CC1 1359068132 PHLULZHFZGHJRD-HSZRJFAPSA-N 445.533 4.602 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(C#N)CC1 1359096049 WCVIOYGMTZUSKW-OXQOHEQNSA-N 443.954 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)c(C)c1 1359108259 HHJLGKRKWQEGPS-UHFFFAOYSA-N 432.341 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1359111214 SEMOERKFHLAPSN-RCZVLFRGSA-N 434.588 4.881 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1359155554 BTZXDIUBNHMNCF-WOJBJXKFSA-N 430.980 4.702 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC2(C)C)CC1 1359177767 APRUJFLQFRBDAT-WOJBJXKFSA-N 443.636 4.841 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359211257 WTAWJFSPRAPCDS-GOSISDBHSA-N 439.947 4.626 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1C[C@@H](C)O[C@H](C)C1 1359233887 UXALWIRZHSTWDQ-HUUCEWRRSA-N 449.393 4.542 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCO[C@@H]1C(C)C 1359257921 AIRBQXZXXWZLBI-ISKFKSNPSA-N 431.584 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1ccc(OC)nc1 1359264609 JTDTXKURWSQZPG-UHFFFAOYSA-N 437.594 4.636 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CCC(F)(F)F)cc1 1359307428 KHAMYDMKGQNJKN-UHFFFAOYSA-N 431.462 4.650 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 1441888719 RTKOJIJFYYGPSQ-UHFFFAOYSA-N 438.376 4.841 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCc2ccc(CC(C)C)cc2)n1 1442960229 ACVFAKVDWJPNQW-UHFFFAOYSA-N 441.626 4.570 30 10 IJEE C=CC1(CC(=O)Nc2cc(-c3ccc(Br)cc3)nn2CCO)CCCCC1 1457604819 GZZZRUXYBQRNFQ-UHFFFAOYSA-N 432.362 4.770 30 10 IJEE C=CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 1459456814 WJIUBUYVPWKJKT-QGZVFWFLSA-N 444.292 4.779 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1 1467532768 UHWGRPIJCBEMRD-QGZVFWFLSA-N 443.573 4.830 30 10 IJEE CCCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](C)c1cc2ccccc2o1 1469762168 DXZLWPWROTXCGO-GCJKJVERSA-N 444.535 4.983 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccn(Cc3ccccc3)n2)cc1OC 1474068260 BMWOGRPFTDBQGN-UHFFFAOYSA-N 428.330 4.879 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 1476551914 ISJVZQAOSNWSJE-CQSZACIVSA-N 432.471 4.892 30 10 IJEE CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1476581198 CNYLGBMZCNLTMF-UHFFFAOYSA-N 433.560 4.726 30 10 IJEE CC[C@H](C)N(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1496133174 FZSGDINZKRRFLR-HNNXBMFYSA-N 435.403 4.722 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](C)C2)C1 1505213345 AZJJAXOCQNFFEU-SYYKKAFVSA-N 439.629 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)C(F)(F)F 1507660942 HZESRLNHMGUYJB-UHFFFAOYSA-N 428.502 4.800 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCCCC1 1507665162 YLOUTEHOYCBOAI-UHFFFAOYSA-N 445.655 4.970 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc([C@@H](C)O)cc1 1507682349 MINXNXJZEPNLKW-GOSISDBHSA-N 434.609 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](CCC)OC 1507762617 WVNLUBFQIGOTKE-XMSQKQJNSA-N 445.405 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(Cl)s1 1507821123 UUBIYDQXUWGCLL-GOSISDBHSA-N 430.961 4.956 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2ccncc2)CC1 1507881582 XJQLIHCGVADRPL-UHFFFAOYSA-N 430.375 4.563 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)c2ccsc2)CC1 1507904831 PSQGONBSDCTINU-RUZDIDTESA-N 436.625 4.825 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(F)ccc1SC 1507971571 UTULZRQXOQWKJU-UHFFFAOYSA-N 436.354 4.567 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1508061903 FPXHNTJMZNVAKB-GOSISDBHSA-N 444.988 4.953 30 10 IJEE CN(CCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)C(=O)OCc1ccccc1 1517025692 IFRVBBJAIMHWTP-UHFFFAOYSA-N 445.544 4.983 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccc(OCc3ccccc3F)cc2)cc1 1521316054 FZKMCIAMDGVJHO-RUZDIDTESA-N 429.495 4.562 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@@H](Oc3ccccc3)c3ccccc3)CC2)c(Cl)c1 1524576919 CFHDHHQBFPGJMB-DEOSSOPVSA-N 431.923 4.681 30 10 IJEE C=C1CCC(C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)CC1 1525494253 LMDRDZHJJUDOBZ-UHFFFAOYSA-N 430.346 4.952 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2cccc(I)c2)C(F)(F)F)cc1 1525856295 MDDAAAKBZOOQAL-KRWDZBQOSA-N 444.190 4.662 30 10 IJEE C=CCc1ccc(OCC(=O)NC(C)(C)c2ccc(Br)c(C)c2)c(OC)c1 1527329378 MOOMVSZOFSRDHQ-UHFFFAOYSA-N 432.358 4.925 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)c1ccc(Cl)cc1F 1528107755 FHRTVQGXERJJMG-FQEVSTJZSA-N 425.866 4.787 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(Cl)cc1Br)c1ccc(Br)cc1 1528498529 XEZLCDJFWZJWRR-INIZCTEOSA-N 441.550 4.898 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCN(C)C2)OCC 1528569913 UJZIEOGDFYPTRW-LJQANCHMSA-N 426.582 4.585 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)c1 1529725095 AMQUTLUMAHGRKV-INIZCTEOSA-N 429.307 4.790 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)ccc1Oc1ccccc1 1529906430 CPADRJDNZFBICT-MRXNPFEDSA-N 433.414 4.620 30 10 IJEE C#CC[C@@]1(C(=O)NCCc2cccc(-c3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1529938246 HYMGTOJCSVLDHC-MHZLTWQESA-N 432.564 4.805 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccccc3F)nc2)ccc1OC 1531039711 DPVZVUODXSRJOA-GOSISDBHSA-N 435.455 4.633 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(F)c(Br)c1 1533507409 YAQCBFNUBJOQEU-OAHLLOKOSA-N 428.302 4.504 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1 1534341680 PMAKAMAXNQHWQR-UHFFFAOYSA-N 446.469 4.613 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC 1534849935 JGDVUZMAFUAKTH-WZUFQYTHSA-N 427.460 4.971 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1535364777 HRVNAPKWWFHJRN-GMAHTHKFSA-N 442.600 4.822 30 10 IJEE C=CCOc1ccc(CN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)C(C)(C)C)cc1 1537697039 IJWCULLMGUEQOB-UHFFFAOYSA-N 435.520 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)c1nccs1 1539034525 FPEWHCXNBHUDJF-LSDHHAIUSA-N 432.018 4.942 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1539035536 RPRQCXRBLUZZKX-CEXWTWQISA-N 446.064 4.802 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1539097418 MHTUWDXLBFZGNC-QUCCMNQESA-N 438.572 4.543 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnc(C)s1 1539246862 SPTKIHIKGUWJMH-UHFFFAOYSA-N 447.564 4.699 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C(C)C)CC1 1539247269 XBVIPKPWQCEQSL-UHFFFAOYSA-N 425.374 4.525 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)c1cccs1 1539278477 DRZCUPNFGOZEMF-UHFFFAOYSA-N 434.634 4.991 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1539743878 UYRREJVUDRHGPB-QHCPKHFHSA-N 433.556 4.673 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCOCC)CC1 1539836525 VMBOOWCZJQGPPU-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(COC)CCC2)CC1 1539875151 TUILPWOMMHFAFH-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1539888898 VSBWOJREPOKRSP-FQEVSTJZSA-N 431.625 4.887 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1539959244 ITLRDVHBDOGNLP-UHFFFAOYSA-N 435.572 4.696 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540014055 HCTHMARINMKVHM-FQEVSTJZSA-N 440.979 4.823 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC2(C)CC2)C1 1540885376 HMBPNPTXQGLFRD-GOSISDBHSA-N 445.405 4.988 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1541410623 HAJIFSYRDGZEFM-SVMVAKDDSA-N 445.995 4.700 30 10 IJEE C#CCCCCNC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1545732936 PYBBAWYRTXXJSF-RUZDIDTESA-N 432.564 4.860 30 10 IJEE COc1ccccc1/C=N\N=C1/S/C(=C\c2ccccc2F)C(=O)N1Cc1ccco1 1554646909 XVVAIOGFRRUUQI-VBARTGPDSA-N 435.480 4.934 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCCCCCC3)n2CCOc2ncccc2Cl)cc1 1555988534 FZXWXIADKDIXNP-UHFFFAOYSA-N 436.947 4.715 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1557476195 ZWFSANNJBROECR-DYESRHJHSA-N 430.545 4.800 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC3(CCCCCC3)[C@H]2c2ccccc2)c1 1561838347 WQODERSCUAFNPR-HSZRJFAPSA-N 438.593 4.689 30 10 IJEE COC[C@H](NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)[C@H]1CCCO1 1562953091 BGCPBORCPNVMFG-RBUKOAKNSA-N 431.945 4.678 30 10 IJEE C=CCC1(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CCCCC1 1563898374 ASYZVFHCECNUAS-FQEVSTJZSA-N 439.522 4.657 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H](CS(C)(=O)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1566675944 PNKUNOMTHRALQP-WOJBJXKFSA-N 439.499 4.657 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 1583695697 MBFJDXQIVGGETO-ZFGGDYGUSA-N 434.580 4.772 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC2CCCCC2)nc1 1584448439 NMWSCCNQYVOJMO-FQEVSTJZSA-N 431.577 4.659 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1584481933 FWJWUEMTFOTHBU-UHFFFAOYSA-N 444.585 4.746 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(Br)cc1 1584708788 UTZZUMAUXIQZCM-GOSISDBHSA-N 448.242 4.758 30 10 IJEE C=CCN(C(=O)c1cc(C2CC2)nc2ccccc12)[C@H](Cc1ccccc1)C(=O)OCC 1585016691 ZWCIQTFGWKWDND-RUZDIDTESA-N 428.532 4.915 30 10 IJEE C=CC[C@@]1(C(=O)OCc2cc(-c3cccc(F)c3)on2)CCCN1C(=O)OC(C)(C)C 1585685552 QOTFHKJJHVTAAW-QHCPKHFHSA-N 430.476 4.870 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1csc(-c2ccco2)n1 1588413117 OYJSKHBELUYZPN-UHFFFAOYSA-N 437.956 4.747 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1593711800 IUFCGWVHEOBJTK-UUOWRZLLSA-N 439.629 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1594483830 FFLBNBRJBXVXGL-UHFFFAOYSA-N 437.563 4.589 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](N2CCCC2)C1 1594520993 IXLPDTPZKAKRJP-QFIPXVFZSA-N 437.632 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1594528552 KHJQHAPLBMPQOR-VSOVRNOCSA-N 445.007 4.710 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@](C)(O)c1ccsc1 1595084176 IEIFXMOGKHGCBK-UUOWRZLLSA-N 435.597 4.825 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCC1(F)F 1595099621 FUZUHUDJRSQUJF-LEWJYISDSA-N 441.526 4.672 30 10 IJEE C#CCOc1ccc(C(=O)NCCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1595269804 CXJJMTREKMDZQL-UHFFFAOYSA-N 428.573 4.636 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(C)C)C1 1595489895 JYYFIHNWLAHJHW-HNNXBMFYSA-N 444.004 4.598 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCCN(C2CCCC2)CC1 1595658996 QDYMXPDOJWDMEF-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC(C)C)c2ccc(Cl)cc2)c1 1596577623 BJMKWCMBBDSADU-NRFANRHFSA-N 434.989 4.712 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CC[C@@H](F)C1 1597261343 ACPAMDVPCRCJCY-WOJBJXKFSA-N 439.579 4.924 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1611182947 USWNIZIMBDYJKR-UHFFFAOYSA-N 449.016 4.883 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ncsc2Nc2ccccc2C)ccc1OC 1617245577 GHRYJELJMQSAJN-QGZVFWFLSA-N 436.537 4.815 30 10 IJEE C#CCCOc1ccc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1 1620782780 GTPSOPSLCQWTJK-DEOSSOPVSA-N 426.988 4.684 30 10 IJEE C=CCc1cc(CNc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc(OC)c1O 1620928452 SFVFCDZXQIYMLQ-UHFFFAOYSA-N 444.597 4.615 30 10 IJEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1cc(C#N)ccc1OC(C)C 1622963053 GWOAFZLDTXJDPM-SFHVURJKSA-N 430.549 4.599 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)C1 1623274617 MWDAHJVPJSHTBT-GOSISDBHSA-N 439.581 4.626 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc2ccccc2nc1O 1625542757 PVMKOLHPGQWSKX-UHFFFAOYSA-N 428.286 4.589 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1626845115 CNHMEKFUABALJD-OAQYLSRUSA-N 435.524 4.702 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2oc(-c3ccccc3)cc2C1 1628656642 MIZLNXLNSVHBRH-SFHVURJKSA-N 430.932 4.867 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 1630175387 CBQBSBLLNBHOQH-UHFFFAOYSA-N 436.575 4.673 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 1636306153 MTQMESLKGNKIKB-UHFFFAOYSA-N 445.494 4.982 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(Cc2cc(F)ccc2OC)CC1)c1ccccc1 1638030410 VFRCIGNOPRPGKF-QHCPKHFHSA-N 425.548 4.759 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1641514997 ARGDOPJKHTVBBC-QFIPXVFZSA-N 427.589 4.576 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1644905226 GGDDVZYZWGAOLC-GDBMZVCRSA-N 428.989 4.754 30 10 IJEE C=C(C)COc1cc(CNC[C@](O)(c2ccccc2Cl)C(F)(F)F)ccc1OC 1651714251 BLDODVIJJUHIHF-FQEVSTJZSA-N 429.866 4.843 30 10 IJEE C#CCOCSc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1 1656058049 JQMFZGAHMFLSSB-UHFFFAOYSA-N 433.371 4.749 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1cnc(N(C)C)c2ccccc12 1656340482 LTEXUOGAAKXIJG-UHFFFAOYSA-N 431.565 4.950 30 10 IJEE N#Cc1cc(S(=O)(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)ccc1Br 1662991034 BMMZOJFGCWKYQY-UHFFFAOYSA-N 446.153 4.595 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1667452796 DRVSEFMNZZMINC-NVXWUHKLSA-N 428.863 4.819 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(CC3CCCCC3)CC2)cc1 1667955708 BLUDFUDDZSQQLM-UHFFFAOYSA-N 433.618 4.707 30 10 IJEE CC1(C)Cc2c(Br)cccc2[C@H]1NC(=O)Nc1ccc(F)cc1OCC#N 1667979558 GCFUWEHZJXGNRX-GOSISDBHSA-N 432.293 4.936 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCc1cc(F)cc(OCc2ccccc2)c1 1668990296 CORMSRRUGDZFRT-UHFFFAOYSA-N 436.458 4.920 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CCC2(CCOCC2)O1)c1ccc(C(F)(F)F)cc1 1670826252 BHQSOXNCFPXYBM-OALUTQOASA-N 426.479 4.740 30 10 IJEE CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1676977416 DQZJSWPDKWQAMZ-INIZCTEOSA-N 441.450 4.965 30 10 IJEE C=CCn1cc2ccc(NC(=O)Nc3cc(I)ccc3C)cc2n1 1680703701 AADHTKSWEPOEGQ-UHFFFAOYSA-N 432.265 4.779 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 1683979998 TUOGFVSIBRUZAT-SJBKTWHCSA-N 437.588 4.568 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccsc1)[C@@H]1CCOc2ccc(Br)cc21 1684554209 PTAXAJYFWZYYGM-CGTJXYLNSA-N 431.355 4.535 30 10 IJEE C#CCOc1ccc(CNC(=O)NC2(c3cc(Cl)cc(Br)c3)CC2)cc1 1686550389 SDHFSIPAEVSLRZ-UHFFFAOYSA-N 433.733 4.603 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1689876622 FTBDTJBLQGEMKD-PMACEKPBSA-N 440.588 4.624 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1CC 1690041054 YMGMOCSTDCPENZ-MOPGFXCFSA-N 439.401 4.997 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCSC(C)C 1690195349 JMGOYOTWUAWSGP-HXUWFJFHSA-N 433.419 4.841 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](C1CC1)N(C)C 1690200207 OOTQAQFOVAJSPM-SHQCIBLASA-N 449.643 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(F)cc(C)c2C1 1690247953 ISCFFFFTCRFUEV-CVDCTZTESA-N 426.580 4.858 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1690413288 NKRWNCZQYPAOJH-SFHVURJKSA-N 438.597 4.809 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)COCCO1 1690447456 PMRXNMYQSOVXJM-QFIPXVFZSA-N 436.959 4.726 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690474156 UHDJNWXDLLHUDO-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1690549917 MWJSPQZIJPIVRU-UQBPGWFLSA-N 441.595 4.662 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1690753062 YZJWJTITSZQCPC-BHDDXSALSA-N 442.629 4.653 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2ccc(Cl)cc2)n1CCSC(F)(F)F 1698495124 GOOGSDLFAMSAKI-UHFFFAOYSA-N 443.926 4.905 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1CSC 1705511065 HJBJDFXDSNESAT-SFHVURJKSA-N 433.419 4.843 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1705537096 UIAARTFQHNMJTN-HXUWFJFHSA-N 444.963 4.714 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1sc(C)nc1C 1705607102 QDGVIVOFRAMFNJ-UHFFFAOYSA-N 425.627 4.857 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1705616072 RZYZUACNYKANQH-UHFFFAOYSA-N 446.624 4.806 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(Cl)ccc1OC 1705654905 XBDMQHXCEXIILE-UHFFFAOYSA-N 430.961 4.511 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@@H](C)CCC 1705690796 ICYCESMWZWVHHL-AWEZNQCLSA-N 425.346 4.777 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1705756004 MYANSHAXFJVSOO-QGZVFWFLSA-N 431.968 4.909 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)CCC(C)C)CC1 1705778802 KPCFTBIGLDQCNV-RUZDIDTESA-N 442.604 4.552 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC(C)CC2)CC1 1705784778 IRJXUSZCCAINNM-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705786218 IYPHJIPZTPUMLY-MOPGFXCFSA-N 443.640 4.784 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705827526 IEIZVWMQKDZKJJ-SESVDKBCSA-N 440.588 4.570 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1c(C)sc(C)c1Br 1705841822 DERHDGSBPYPQTF-HNNXBMFYSA-N 425.396 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1705872107 LJTTWPLXKJWWIQ-LEWJYISDSA-N 432.616 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccccc2Cl)N(C)C)C1 1705925672 SKWNJYHZJDDRGG-KNQAVFIVSA-N 444.023 4.673 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CCCCC1)N(C)C 1709202778 GKYCAKWSBCKEBY-WUMKDDEVSA-N 434.632 4.952 30 10 IJEE COC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1711622360 HBTYSTZQZXUJOA-FQEVSTJZSA-N 435.906 4.529 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)cc(OC)c1 1722278349 CVQBOZAIVRAFSZ-HOTGVXAUSA-N 438.572 4.785 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@H](C(C)C)C1 1722321088 VDZXYLGJOOLZMA-QFIPXVFZSA-N 426.630 4.855 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)CCCc1ccccn1 1722331121 VUFQECFCLHSPJP-UHFFFAOYSA-N 438.373 4.585 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1cccc(COC(C)(C)C)c1 1722390219 ZYJDSWAUDJJLQR-UHFFFAOYSA-N 430.552 4.673 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722465329 JHCHRHPUQYVBRY-OYRHEFFESA-N 438.641 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCS[C@@H](C(C)C)C1 1722495834 IDDCOMHGKKOSIE-NNWRFLSQSA-N 426.630 4.813 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1722496781 NBKFZVZOEBYMBX-QKLQHJQFSA-N 430.980 4.583 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)(C)CC1 1722531598 TZBHVXCRSRFSHR-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1722585087 QOVPWGSIBQKBAV-GHTZIAJQSA-N 442.629 4.720 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(Cl)c1 1722595057 JFOUQSZAXVNBKH-UHFFFAOYSA-N 441.963 4.890 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@@H]1C(C)C)C1CC1 1722648905 YNDOGOMVPKTWTI-OXQOHEQNSA-N 445.405 4.924 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1 1722660801 HDLBPVJDKVWVKC-LEWJYISDSA-N 449.574 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(O)c1 1722661515 IFTDPTMRGQCXJV-UHFFFAOYSA-N 436.537 4.863 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)c1ncc(C)s1 1722678295 ONFJZDIXHHVHSK-CQSZACIVSA-N 449.983 4.945 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1740558469 FKZPJOJFTVVZGM-POCHDABASA-N 445.032 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1740558888 IHNXJEXLDGIHOX-MZKRTTBSSA-N 426.630 4.788 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@@H](C)C1 1740650780 NOBMKDTWPALKKS-NHCUHLMSSA-N 434.584 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCS1 1740725614 SJIWUIOVGYZYQF-KPDCDPCYSA-N 428.577 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CC=CCC1 1740753486 KQEXCDWYMKBZLO-UZKOGDIHSA-N 437.544 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC=C(C)CC1 1740768253 UVKXMQDSCGLPES-GCJKJVERSA-N 428.964 4.648 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCn2cc(Cl)cn2)CC1 1740832652 FUTWVOYRHJGBGO-MRXNPFEDSA-N 444.942 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1740849545 MYTQQQOKOBBHNH-GHTZIAJQSA-N 437.613 4.894 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)c1ccccc1 1740856459 TVCSGCRBCZRIMM-LADGPHEKSA-N 448.615 4.631 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC)[C@@H](C)C1 1740859424 LRCUMJYZHBSGJE-HNNXBMFYSA-N 438.439 4.656 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1740875001 NSTRJGYSPZTUKS-SJORKVTESA-N 438.601 4.671 30 10 IJEE C=CCn1c(N2C[C@H](c3ccccc3)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950174 UEEOGQFNXXKZJV-WLRLJWMZSA-N 437.588 4.617 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC(N3CCCCC3)CC2)cc1 1740966977 ZHAAFCKMCNFQDD-OAQYLSRUSA-N 437.632 4.859 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1741000684 DNGSYINLTMZEJS-QFIPXVFZSA-N 441.645 4.828 30 10 IJEE CC(C)c1csc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@](F)(C#N)C2)n1 1741323075 CYDGPVIXUBTXCB-FQEVSTJZSA-N 448.930 4.808 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1Cc1nc(C(C)(C)C)cs1 1749071982 ZYBQIFLDLUZWLY-RUZDIDTESA-N 449.624 4.672 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1749131827 WCQGCZBEAKEFQK-UCKMRUJXSA-N 443.680 4.549 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)C1CCC(C)CC1 1749141070 WRMIVRYDQCJVQU-ODDNFHNMSA-N 442.579 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCc1sc(C)nc1C 1749148638 AJOWDQSHGRBFFA-UHFFFAOYSA-N 441.601 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1749368863 RWCXEYFKNSHHFU-UHFFFAOYSA-N 429.653 4.744 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1749381214 DFSVBCLUDXAYRG-UYAOXDASSA-N 435.538 4.834 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(C)C)CC1 1749391709 RBYQHCVPAJQEQU-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE CC1CCN(c2ccc(Cn3c(C(C)C)nnc3N(C)Cc3cccc(C#N)c3)cn2)CC1 1752206680 GYPOFODTLVKPIU-UHFFFAOYSA-N 443.599 4.589 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OCC)CCCC1 1760122552 NMXBTUYQAUIHFL-HXUWFJFHSA-N 438.616 4.962 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760149969 UWFNBZOUXFIKNS-OAQYLSRUSA-N 432.572 4.811 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCc1nc(C)cs1 1760233286 UEISVLKUBKJEIX-UHFFFAOYSA-N 446.580 4.847 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760242074 RSJBCTRCFNIWLI-RXFWQSSRSA-N 437.607 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1cccc(COCC(F)(F)F)c1 1760288001 MPSWOAPDUCBGCD-VGOFRKELSA-N 434.506 4.911 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)CCc1ccc(Br)cc1 1760334705 LFHXWCZPADVWMG-UYAOXDASSA-N 445.405 4.578 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2CCN(CCC)CC2)CC1 1760392270 KNUYLFKVCALXFV-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2nnc(C(C)(C)C)s2)CC1 1760403555 XCQHXIPHCOPWKU-UHFFFAOYSA-N 436.629 4.777 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1760419891 FCHFOPMWRCWZOH-MSOLQXFVSA-N 441.542 4.990 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1ccsc1 1760513872 IAMPIVKAIFBETQ-ROUUACIJSA-N 429.590 4.939 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C2CCOCC2)C1 1760532901 INGDMTJQOXVFRD-NRFANRHFSA-N 438.616 4.733 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1 1760560588 ZNOUMBNZBLIBDO-QGZVFWFLSA-N 429.565 4.606 30 10 IJEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1770903788 FHYWYPRNHLMVLP-XUZZJYLKSA-N 444.583 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCSC1(C)C 1772516342 ZNCAPPQPIAHYCO-SFHVURJKSA-N 443.016 4.505 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(F)c2)CC1 1772555311 PJVKXZYZLIYCBN-UHFFFAOYSA-N 444.352 4.820 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)n3ccccc23)c1 1858241810 GCULRANMVQWWKM-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)Oc1cccnc1NC(=O)c1cccc(C#N)c1 1858752814 BSIFODUGNGNEBP-SVVKQXANSA-N 449.551 4.977 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862398631 YPSVGBAZRPZSFP-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1 1862412378 CPBMSIKQEKIZPL-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1862445278 RVQBCDZYLGJDIZ-JOCHJYFZSA-N 449.890 4.838 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1862445985 IKKGIYPAHWQBHJ-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C)cc2)cc1 1862514880 MXTUVJWWISZFBR-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2F)cc1 1862556234 RMJQEGALQBESLV-HSZRJFAPSA-N 430.479 4.537 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862557617 KWOZYHZPNJFVEA-NYHFZMIOSA-N 443.459 4.517 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862558504 YHJPPVVBQMIAHW-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccc(C(=O)O)cc2)c1 1862559659 UEOKBBSEUBSSIU-QFIPXVFZSA-N 448.519 4.658 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 1862659873 FFEQSVDEBUMVPO-QHCPKHFHSA-N 429.520 4.675 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 1862676823 RWWJNMWVNALIFD-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862736978 QORALSDOFCVHTO-HSZRJFAPSA-N 442.471 4.724 30 10 IJEE CSc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862768643 YJTRAYWQHBRPPO-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862879523 SLWMBHCJZBNGOQ-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccccc2)cc1 1867762798 MJTQWCXSSYBOBR-FTJBHMTQSA-N 448.526 4.638 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)n(-c2ccccc2)n1 1870000400 OIVILVRAUJKPHD-VQTJNVASSA-N 433.943 4.841 30 10 IJEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CNc1cc(C)ccc1C 1870833016 OCIQMGCIJRGMGY-OAQYLSRUSA-N 445.563 4.519 30 10 IJEE C#CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871006429 FOTZELYWBRDCDF-DEOSSOPVSA-N 438.568 4.611 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc2c(c1)OCO2 1871216197 IYHMOPLMSCKYCM-UHFFFAOYSA-N 448.519 4.531 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(OC(=O)c4cnccn4)c3C)C2=O)c2ccccc21 1871370144 RFHOHCPRKAFWNB-UUYOSTAYSA-N 425.444 4.595 30 10 IJEE CN1CCC(N(C)Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)CC1 1871395126 HEYNHFVBGPTOFV-MTJSOVHGSA-N 447.362 4.841 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3c(F)cccc3F)ccc2C1=O 1871440590 XHEUTNUJMBBBLH-NHDPSOOVSA-N 437.398 4.607 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871440621 YQRMXVORLKFIDQ-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1ccc(NC(=O)C2CC2)cc1 1871445496 BUHPGMRTWLGROK-QFEZKATASA-N 439.467 4.913 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCOC(C)C)nc(Nc2ccc(CCCC)cc2)[nH]1 1871502909 ZCMYSLKVFIWRFU-UHFFFAOYSA-N 438.620 4.785 30 10 IJEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588299 ZDENBSJSZWNGTI-UHFFFAOYSA-N 435.620 4.949 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871779262 DLTHVLPWOWNAFD-GFCCVEGCSA-N 447.771 4.851 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 1871793028 TVJMXPRVQHQHDL-HNNXBMFYSA-N 433.382 4.649 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872152000 RWKCONTUEBIPER-FDDCHVKYSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872210275 ZUAOWWCOZCXOTP-QHCPKHFHSA-N 428.598 4.997 30 10 IJEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1 1872786716 QHVWEWMKHPPNEW-RTWAWAEBSA-N 443.572 4.960 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422550 CQHVQRSSWRDHPW-UHFFFAOYSA-N 440.547 4.538 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCCCCN3CCCC3)ncnc21 1873634694 PSTMWQWCTADSOL-UHFFFAOYSA-N 446.599 4.720 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(N(CC)CCO)ncnc21 1873670359 SUQJHBCRRRSORH-UHFFFAOYSA-N 449.599 4.935 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874267982 ZOBLIALAEHHCEY-OEAKJJBVSA-N 427.961 4.737 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccco2)cc1 1874377704 JQWSRMZTTFZTRU-YDZHTSKRSA-N 437.456 4.684 30 10 IJEE COc1cc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)ccc1O 1874379774 LNFOJYYOLQTTCI-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1F 1874436976 WUQJPWONOHOCDB-DHRITJCHSA-N 443.523 4.758 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1 1874436984 XBFAELAYYKFVAT-ZVHZXABRSA-N 425.533 4.619 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2)c1 1874459646 XZBWGDYHWDZFBZ-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cccc(O)c1 1874475378 XGHRTXIUACPUGO-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc(OC)c1O 1874487454 MOFFDVVYKLMJCU-WYMPLXKRSA-N 444.532 4.513 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCC(=O)N[C@H](C)c1ccccc1 1874492383 KWQFRETWBOYINU-YXUUZYBBSA-N 441.626 4.698 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1OC 1874594147 VFLLIMQJLYPPME-ACCUITESSA-N 431.488 4.926 30 10 IJEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c1 1874706184 UMRBWBUMKGKXRM-DHZHZOJOSA-N 444.483 4.901 30 10 IJEE C#CCCN(CC(C)(C)C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1902259578 HRUTVOKMFPFXFJ-UHFFFAOYSA-N 444.575 4.956 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCc2cc(Br)ccc21 1922075217 UVFKEUQQHWLFDB-GOTSBHOMSA-N 430.386 4.724 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)c1cccc(F)c1I 1922125011 KKWMQSDGAUSLKC-IBGZPJMESA-N 425.285 4.854 30 10 IJEE Cc1cc(Br)c(F)c([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 1927528636 OANNBIGYIGJYPX-CJNGLKHVSA-N 427.314 4.877 30 10 IJEE C#CC(C)(C)C[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2002377508 HXHFKBAUVRFICE-BKMJKUGQSA-N 428.617 4.858 30 10 IJEE N#Cc1c(Br)cccc1NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2026166779 MIYMDIQDKITXFO-QOSBUDKSSA-N 426.314 4.580 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1F 2102880598 QWUXSCXNJYUEAH-FUHWJXTLSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ncc(Br)cc2C#N)c2ccccc21 2174809499 ALHYMCGHYJZUMC-INIZCTEOSA-N 429.318 4.823 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1nc(C)c(Br)cc1[N+](=O)[O-] 2202047333 KEBXCLOVCRNJHS-GOSISDBHSA-N 444.326 4.547 30 10 IJEE N[C@@H](C#Cc1ccc(Cl)cc1)c1ccc(I)c(Br)c1 2231097287 ZNNKVRLSEYJVRX-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@]1(CCF)CCCN1C(=O)OC(C)(C)C 2235723823 FHBOUNFLYYYJBZ-GHTZIAJQSA-N 439.369 4.518 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1CC 2235748082 WJONHLXCEROXPY-KPLVRAHFSA-N 435.406 4.862 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266051476 KWKYGPAEGUNEEP-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)cc2C1 2267089751 HWBXDSYIMSGRFP-UHFFFAOYSA-N 442.365 4.748 30 10 IJEE N[C@H](C#Cc1ccccc1Cl)c1cc(Br)ccc1I 2277838823 BTPGWFNVRQRVRT-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CC1(C)OB(c2ccc(F)cc2C(=O)Nc2ccccc2OCc2ccccc2)OC1(C)C 2281774131 WOSKYORALPYDFR-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE Cc1sc(C)c(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)c1Br 2284356928 QZLOHTVKQURJEZ-UHFFFAOYSA-N 441.175 4.573 30 10 IJEE C=C(C[C@@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1)OC 2291161389 ORBBQWFSTKYONI-CYBMUJFWSA-N 428.142 4.530 30 10 IJEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 2296116030 QWLJMEJVNWTCKM-HXUWFJFHSA-N 427.928 4.706 30 10 IJEE CC(C)c1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 2296136131 QQEIPOQGYBWRJJ-HSZRJFAPSA-N 429.520 4.519 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@H](N)C#Cc1cccc(Br)c1 2296219983 TYUATXYIEOCEDE-WOJBJXKFSA-N 435.406 4.849 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296290903 IRPWTFSVZLCEIC-RTBURBONSA-N 435.406 4.814 30 10 IJEE CCCCCOc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 2297744777 MXVBZEWVZMWVOH-NRFANRHFSA-N 436.464 4.771 30 10 IJEE CCCCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCOC)c1 2314478593 VAJWKHQYXHQOLF-VWLOTQADSA-N 449.547 4.880 30 10 IJEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 2322052057 RIEKXKTWMLIJOW-UHFFFAOYSA-N 430.479 4.860 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(CCCn1ccnc1)CO2 2322106991 ZMPMCACDRHETLW-UHFFFAOYSA-N 435.911 4.703 30 10 IJEE CCOc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2323805497 LYQOWNHFVUACDS-UHFFFAOYSA-N 444.439 4.958 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(F)cc1F 2325675262 GUPLSBLTEJRPCB-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCOc1cccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SC)c1 2326037599 KUFDMKVQQKSRMW-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE CCOc1cc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCC)ccc1O 2328051378 HUHWIWHEHYUTDS-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCc2ccccc2)n1N=Cc1cccn1C 2328556641 SKOIEFQUHQBEHF-UHFFFAOYSA-N 431.565 4.987 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(O)c(OC)c1 2328863047 ZIGBAZYUQGYRBJ-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329495557 LWJBCOMFHPCAOM-UHFFFAOYSA-N 442.972 4.900 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1O 2329750478 HFNQVFUEETZLJB-UHFFFAOYSA-N 448.523 4.636 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CCc3ccccc3)n2N=Cc2ccco2)c1 2330173120 CMAIAXHHCMJOCL-UHFFFAOYSA-N 445.548 4.578 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1cccnc1 2330644497 JURVSOUYJSNMNZ-UHFFFAOYSA-N 444.443 4.842 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccccc1 2331132487 JNOYJVRODJRHLE-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)cc1OC 2331136402 VAGLWRSGVNXNIB-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cccc(O)c1 2331352209 SJXAYHLJNRTOJU-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE COC(=O)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1 2331432589 LTOZCSUGTATNKT-UHFFFAOYSA-N 426.517 4.577 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc3c(C)cccc3s2)nnc1-c1ccc(F)cc1 9594291 ARMDDTMVAAXEMI-UHFFFAOYSA-N 439.541 4.919 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c1 14783843 HBOYIMOWCVPKIZ-UHFFFAOYSA-N 448.544 4.836 30 10 IJEE C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1C(C)(C)C 20839433 SJAPYLSBMVJZEI-UHFFFAOYSA-N 429.615 4.694 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(NCc3ccc(F)cc3)s2)CC1 28122793 GXXLLVNTSNEUBD-FAGJFJLWSA-N 447.605 4.701 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1OC 33348188 CCXDADPSYBWPMX-KGENOOAVSA-N 433.504 4.754 30 10 IJEE C=CCc1ccccc1OCCn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21 40279843 DLQLAYUUTIJDFB-UHFFFAOYSA-N 441.531 4.782 30 10 IJEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccn1)c1c([nH]n(-c3ccccc3)c1=O)N2 98036739 WHTCUYYTKQDPKO-IVZQSRNASA-N 440.528 4.580 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1C 98078951 DBZVPFNKLKFFIM-UHFFFAOYSA-N 447.560 4.689 30 10 IJEE COc1c(Br)cc(Br)cc1/C=N\Nc1nc2cc(C)ccc2[nH]1 169893271 VNTUCJSCMWCDKZ-UWVJOHFNSA-N 438.123 4.851 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccncc2)c1 170015398 ROQXHUASGBEBKK-QHCPKHFHSA-N 427.504 4.547 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccc(O)c2)cc1 170079112 IPZUNSHTSMBESM-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2ccco2)cc1 170097001 ZKQOQKOZJKJTCC-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1Cl 170166523 CNAJOSOQJOPPOE-IBGZPJMESA-N 447.940 4.940 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 170191950 TUFMBCWKHUCJJC-LJQANCHMSA-N 426.806 4.796 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC)c1 170217123 XPMLVDJPBQCHCI-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1 170221851 LLMQZJPQYKWNST-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170222864 OOEXJRGVRQIGTG-QHCPKHFHSA-N 429.447 4.934 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1 170244427 TWYYWHDRSLAOAF-OAQYLSRUSA-N 443.927 4.697 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCN(C)C)cc1 170244975 QLAWIYRFKIQJHY-OAQYLSRUSA-N 426.944 4.603 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C[C@H]1CCCO1 170273419 GCZNDIYOHHWBJZ-ZJSXRUAMSA-N 449.547 4.787 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C[C@H]1CCCO1 170273692 IGKUVIRMMLUYCY-OFNKIYASSA-N 435.520 4.540 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccco2)c1 170279288 AVEQDXFCFGDQEK-QHCPKHFHSA-N 446.503 4.917 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170338616 WITMMHAIKBKGJK-QFIPXVFZSA-N 432.476 4.527 30 10 IJEE CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)SC1=Nc1ccccc1 252610260 HZRGEBLDRWVLAF-OORCVBGGSA-N 443.528 4.938 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C12CC3CC(CC(C3)C1)C2 253562143 CXPMBBRCADSVNX-UHFFFAOYSA-N 426.561 4.802 30 10 IJEE CCOc1cc(/C=N/Nc2nnc(SCc3ccc(C(C)(C)C)cc3)[nH]2)ccc1O 253577256 WVNFPYXDBAIHSO-YDZHTSKRSA-N 425.558 4.945 30 10 IJEE N#C[C@H](CNc1ccc(I)c(Br)c1)c1ccccc1 311954976 NSIYGORFRQCEQD-GFCCVEGCSA-N 427.083 4.773 30 10 IJEE N#Cc1ccc(Nc2cc(I)ccc2Br)cc1[N+](=O)[O-] 312822920 SVPLWARMWWMHJW-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE O=C(c1ccc(F)cc1O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436827866 VSXKDPDLFIOORJ-MRXNPFEDSA-N 437.311 4.783 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@H](C)C1 460934086 ADIMZQCETOOERR-MRXNPFEDSA-N 439.387 4.645 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@@H]1CCOC1 461556160 DXXWZQOFZGIHTF-URXFXBBRSA-N 430.552 4.574 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(C)nn2-c2ccccc2C)nnc1-c1ccco1 481531731 NDCAJOUCKHTTSK-UHFFFAOYSA-N 448.552 4.648 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1 485429430 JZXYZVMDBOCREB-UHFFFAOYSA-N 445.445 4.540 30 10 IJEE C=CCN(C(=O)c1cc(C2CC2)nc2onc(CCC)c12)c1nc(C(=O)OCC)cs1 501955758 ZRJNYUUVKLZPSV-UHFFFAOYSA-N 440.525 4.519 30 10 IJEE COc1cccc([C@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488944 NHWKCGKFMFLSQN-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@H]1c1ccc(C)o1 526522199 PKOCSMHSTNYMGQ-QFIPXVFZSA-N 430.460 4.924 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nncn2/N=C\c2ccc(OCc3ccccc3)cc2)cc1 526828641 NRYFLRVBILSYLD-QFEZKATASA-N 445.504 4.940 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccccc2)CC1 549542189 LTMUOGBOUQAXAC-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@]2(C1)OCc1ccccc12 559000523 GWAWUILASFWWKJ-AREMUKBSSA-N 446.551 4.564 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C 586155405 BIEYYEZAFWZYBM-OXQOHEQNSA-N 432.973 4.990 30 10 IJEE C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586259094 VYBPDACRTQQRII-UHFFFAOYSA-N 430.751 4.801 30 10 IJEE CCCN[C@@H](CC#CCOC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 698943678 DREAGPZGRODFJT-SFHVURJKSA-N 425.367 4.877 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 732473513 WKBRKIDIXREBFA-SFTDATJTSA-N 443.588 4.573 30 10 IJEE C#CCOc1ccc(C(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)cc1 1125170201 ONZYNLGMOXPPIB-UHFFFAOYSA-N 427.323 4.761 30 10 IJEE C=C[C@H](CC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1)c1ccccc1 1129497402 IEKOTACQNZCDQK-OAQYLSRUSA-N 438.015 4.813 30 10 IJEE C#C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 1129602198 MWVYHHANANSBKD-QHCPKHFHSA-N 426.907 4.751 30 10 IJEE N#C[C@H]1CCC[C@H](OC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)C1 1129608683 HULKMLLGSNJRDJ-AAEUAGOBSA-N 425.325 4.808 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OC(F)F)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1131261451 IIWPEZWTYPBUJN-OAQYLSRUSA-N 426.460 4.581 30 10 IJEE C=CCc1cc(C(=O)N2CCc3ccc(Br)c(F)c3C2)cc(OC)c1OC 1133907689 ICFQMTXOSFJBII-UHFFFAOYSA-N 434.305 4.532 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 1136331614 FJHQLONNBNEQRU-QHCPKHFHSA-N 449.551 4.964 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1136464864 YZWAEERRGDDNOE-MHECFPHRSA-N 448.007 4.628 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cc2ccccc2c(O)n1 1136557951 XLMIRVSEHGPLGT-UHFFFAOYSA-N 429.289 4.599 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 1136697511 TXIQQQLEXJONIK-VWNXMTODSA-N 448.563 4.524 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1)C(=O)OC(C)(C)C 1141247034 ZXHUROWHWZNBQP-JOCHJYFZSA-N 426.582 4.947 30 10 IJEE CC(C)(C)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)C2 1148489168 CXRDKCJGNWRMTR-UHFFFAOYSA-N 435.915 4.549 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc2c1=O 1164557220 ZMJXDXFZHJEPQT-GOSISDBHSA-N 435.593 4.751 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1ccncc1Br 1177033011 WZVVPMVUDYORDU-LLVKDONJSA-N 429.236 4.919 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(OCc3ccccc3)nc2)cc(OC)c1OC 1198457273 YPYXCKVWKXBKPM-UHFFFAOYSA-N 433.508 4.728 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)cc1 1214688204 YBDMEUXUEGFAQK-CYBMUJFWSA-N 442.368 4.683 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCCC(=O)Nc2cc(C)c(Cl)cc2OC)c1 1215117381 KWSWPUCRKMFYHQ-UHFFFAOYSA-N 431.920 4.762 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(Br)c(C(=O)OC)c1)c1ccc(F)c(F)c1 1216729646 BPHWNMYOCJSRGY-KRWDZBQOSA-N 439.256 4.953 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCCC1 1221909436 HQRUUFFRRAMHRQ-LEWJYISDSA-N 428.577 4.804 30 10 IJEE C=CCC1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 1228269779 GUTNXWTUYDWOCO-HZPDHXFCSA-N 433.515 4.610 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1230511382 RUWKMHZRIJHMAX-XZOQPEGZSA-N 449.913 4.703 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1286317970 QTQDTBVUBUQKNR-LJQANCHMSA-N 429.971 4.606 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(CC)C[C@H](C)CC 1286498829 MRFFYTQHEZTZDU-MRXNPFEDSA-N 435.435 4.946 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccco1 1286534359 SSEMQJJQNNRWCO-MRXNPFEDSA-N 444.289 4.696 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(Cl)c1 1286557899 LBAKIGAZBQMYHQ-AUSIDOKSSA-N 437.975 4.535 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1286594099 ZQSOFKJRJPKGMV-TZIWHRDSSA-N 443.636 4.985 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1286618734 HCEJTYNSRRLXGH-QFIPXVFZSA-N 437.613 4.599 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286620322 JHFVCPROMZUHCH-AXAPSJFSSA-N 432.849 4.944 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(OC(F)F)c1 1286632280 IALQIEJGUVDUBM-UHFFFAOYSA-N 439.919 4.624 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635563 WBJLGVKHXBPQCK-KDURUIRLSA-N 445.995 4.746 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286655037 JLTRAMXPOFJGSJ-UHFFFAOYSA-N 429.565 4.506 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1286661867 MIXKKYXJQHCOJU-SFHVURJKSA-N 435.572 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCc1cnccn1 1286667707 MXDBDXMKGHLWLL-UHFFFAOYSA-N 440.979 4.678 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1)C(C)C 1286751016 LAILNIAWVKCZJC-DEOSSOPVSA-N 447.631 4.545 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nnc(CC)s1 1286752614 BLMQRYFNZRRNDK-UHFFFAOYSA-N 440.642 4.916 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCC1(F)F 1286755704 JLSRQCSFLFVBOW-GOSISDBHSA-N 432.515 4.966 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1286827349 LLENVAPWJIUQJG-FQEVSTJZSA-N 432.037 4.582 30 10 IJEE C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 1299875060 ATLSNHMIJXWKBG-ZWKOTPCHSA-N 437.540 4.559 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(F)ccc2C1 1300345099 ONYFSOXVPNPJMP-UHFFFAOYSA-N 442.336 4.541 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1300365177 QSPUTVNXTASIJX-HXUWFJFHSA-N 446.542 4.850 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCc1nc(C)c(C)s1 1300556694 MBBOVOKOOOANLE-JOCHJYFZSA-N 431.609 4.599 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1300755119 LVXYHXVKPWZNQI-ROUUACIJSA-N 439.654 4.903 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(NC(=O)c2ccco2)cc1 1300909202 OFNLEHQAOPSYSH-UHFFFAOYSA-N 444.539 4.580 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1301073295 ZOKYJXUFEFRHGU-UHFFFAOYSA-N 438.457 4.630 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1301119686 SFJFMNKYPCYATP-SFTDATJTSA-N 432.616 4.587 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)c1ccccc1 1301164458 UHYPXPVQRFNXKL-GGAORHGYSA-N 437.632 4.750 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCc1nc(C(F)(F)F)cs1 1301304906 LDAIQNXGIGEASS-UHFFFAOYSA-N 446.502 4.621 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](SC)C(C)(C)C)C1CC1 1301320358 AKFYKNBAIDQKNK-FQEVSTJZSA-N 430.618 4.895 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1Cc1ccnc(C(F)(F)F)c1 1301397579 XCCCCNZZOWHNIW-UHFFFAOYSA-N 443.473 4.806 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](CCOC)C2)CCCC1 1305912300 FQBDAMPMALOHOL-OAQYLSRUSA-N 437.588 4.562 30 10 IJEE C=CCN1CC[C@H](Sc2nc3sc4c(c3c(=O)n2[C@H](C)CC)CCCCC4)C1=O 1307240649 UPNSQIVMFQJITO-PBHICJAKSA-N 431.627 4.577 30 10 IJEE C#C[C@H](NC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1)c1ccc(Br)cc1 1312937592 QUTZFNNBDYQSMX-IBGZPJMESA-N 442.744 4.957 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)N[C@@H](C)c2ccccc2)cc1 1352162381 FBMPSIQSCCJETK-SFHVURJKSA-N 443.503 4.955 30 10 IJEE N#Cc1c(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)sc2c1CCCCCC2 1354723977 AQNVPOLMQLAMAY-KRWDZBQOSA-N 431.355 4.983 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 1356365340 VKUVTEHRMCJFAM-QFIPXVFZSA-N 440.547 4.518 30 10 IJEE C#CC[C@H](NC(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])c1ccccc1 1356594955 IWMCZHFICSAYAY-NRFANRHFSA-N 430.460 4.677 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(COc2ccccc2)cc1 1357894247 HHDYNVAPLVULDA-UHFFFAOYSA-N 437.293 4.917 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@@H](C)C1 1358912003 HQJAYIZPJFWPTK-RTWAWAEBSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(C(C)(C)C)no1 1359003317 GTEKYHCLJHUXCD-INIZCTEOSA-N 437.613 4.925 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1359012486 OFFMSYPKFDTPDO-UHFFFAOYSA-N 430.980 4.579 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCC=C(C)C1 1359078086 SGIDKZOPOPGUAL-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1359084123 YNWHANNIJOCEPX-MOPGFXCFSA-N 431.378 4.731 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 1359128882 ISKZTUWUVNWQRC-UHFFFAOYSA-N 437.769 4.680 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@@H](C(C)C)C1 1359130040 WLKCJVHWFXPSJS-JOCHJYFZSA-N 437.613 4.664 30 10 IJEE C=C(Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1359138272 PJBOATCJGFKMPM-INIZCTEOSA-N 445.386 4.708 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1359163202 UYHWJMLFSSSIGT-HSZRJFAPSA-N 435.572 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1359186901 WTPOTNJNGDDZHI-FYYLOGMGSA-N 446.599 4.942 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359198516 SFPGULLXJDEBLR-UFRUDQCGSA-N 445.405 4.661 30 10 IJEE C=CCN(c1nnc(C(C)(C)C)n1CCc1ccc(OC)c(Br)c1)C1CC1 1359245736 BQTUXVFFWKYWDH-UHFFFAOYSA-N 433.394 4.744 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(N(C)C)CCCCC1 1360471102 ATLIPXLDARGDII-MRXNPFEDSA-N 432.975 4.740 30 10 IJEE Cc1ccsc1CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC#N 1360917648 BECJLZROORAWHA-KRWDZBQOSA-N 431.569 4.686 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](CC)Oc2ccccc2Cl)CCCN1C(=O)OC(C)(C)C 1457402668 WDPNCOUQKZYHRY-SBUREZEXSA-N 436.980 4.959 30 10 IJEE C=CCC[C@H](NC(=O)Cc1ccnc(O)c1Br)c1ccc(C(F)(F)F)cc1 1458171587 DGSSZPMCXOGWNG-HNNXBMFYSA-N 443.263 4.935 30 10 IJEE C=CCn1c(SC[C@H]2CNC(=O)C2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1458750013 DDTLFOIKRKCDAC-GDBMZVCRSA-N 430.643 4.572 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@H](c1ccccc1)N1CCOC1=O 1460782084 WTFKYKWWCUHLHQ-SFHVURJKSA-N 445.313 4.536 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 1460846624 FQQVUUFQZPCZNS-FQEVSTJZSA-N 432.495 4.760 30 10 IJEE N#Cc1ccc(Br)c(CN[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 1461430219 BAWCHOWZJHDMOM-JOCHJYFZSA-N 434.337 4.660 30 10 IJEE C#C[C@H](N[C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1F 1462225113 LYYOOFKDCFAKMD-XLIONFOSSA-N 436.955 4.692 30 10 IJEE C=CCN(C(C)C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 1462949169 NMKLQMMUFXFVMZ-UHFFFAOYSA-N 428.323 4.966 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2ccco2)Cc2cc3cc(C)ccc3o2)c1 1473177546 JEKDBGUBRWJEBI-UHFFFAOYSA-N 441.487 4.666 30 10 IJEE C=CCC[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(C(F)(F)F)cc1 1473317430 TXVBVCRRTSARPZ-HXUWFJFHSA-N 445.485 4.833 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn12)C(C)C 1476886115 GPUIYGCZEQGAPO-OAQYLSRUSA-N 435.547 4.961 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1507560310 GCERDGHHIPQDFL-FPOVZHCZSA-N 428.602 4.570 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCCC[C@@H](SCC)C1 1507567803 TWFCIECKSJQWNI-OAQYLSRUSA-N 426.630 4.793 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1507578073 WPJAOHITXLAHKI-QGZVFWFLSA-N 426.870 4.560 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC1(CCOC)CCCCC1 1507619491 NUCNCRCYOXJQIL-UHFFFAOYSA-N 426.630 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCC1(F)F 1507762964 GXNJCSCVAWMNPM-WZONZLPQSA-N 444.526 4.780 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccsc1 1507821854 OYLQWESCJBTCQG-KDURUIRLSA-N 445.633 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1507911539 MVHMFKZWXWIMPW-UHFFFAOYSA-N 439.604 4.678 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC(C)(C)[C@H]1C 1507939451 NNMLDNQOWACUDJ-CQSZACIVSA-N 437.357 4.817 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccccn1 1507941360 DQHARYSGFNNITA-UHFFFAOYSA-N 442.361 4.714 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1508002256 CARCOMJLKVICEI-HXUWFJFHSA-N 427.593 4.582 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC(=C)Br 1508005567 SECQMMWUVXZFQY-UHFFFAOYSA-N 430.325 4.524 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)C 1508006719 KSJXCNBKDNLVKI-RXVVDRJESA-N 425.602 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1508019932 KHXANAHZBYQZHU-BVAGGSTKSA-N 443.595 4.919 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CCCS1 1510271376 FLZVBSIVLUTKLG-KSFYIVLOSA-N 429.565 4.583 30 10 IJEE C=CCC[C@H](NC(=O)Cc1nnn(-c2ccccc2)c1C)c1ccc(C(F)(F)F)cc1 1519589653 GDYWDPUTMHALJA-FQEVSTJZSA-N 428.458 4.961 30 10 IJEE C=CCCC[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1519989838 RHCQSQIUDKUGHW-PBHICJAKSA-N 425.367 4.876 30 10 IJEE C#CCO[C@@H](C)C(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1523307905 LGKYROPUZWWWQJ-DJJJIMSYSA-N 438.724 4.680 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cccc(Br)c1Cl 1524175841 HOCFIKKQYGDQAN-ZDUSSCGKSA-N 430.730 4.628 30 10 IJEE Cc1cc(C#N)cnc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1525262444 FMWKNESIOHILHG-HXUWFJFHSA-N 436.968 4.506 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1ncc(Br)c1C)c1ccc(C(F)(F)F)cc1 1526560127 HBGUKYGQTNNKGG-MRXNPFEDSA-N 430.268 4.797 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC2)c(F)c1 1527690376 APRGEDRQLNYCTL-UHFFFAOYSA-N 436.874 4.500 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(C)C)nn1C)c1ccc2c(c1)OCO2 1529764562 OBRAHRIONDNLIQ-UHFFFAOYSA-N 433.508 4.684 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C(F)(F)F)cc1 1532559923 XDNGLBKJKRQHTK-OAHLLOKOSA-N 428.160 4.799 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Cl)cc1F 1535504278 AKIJMZGDUKGHJF-KDOFPFPSSA-N 427.932 4.796 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c1 1536863899 RIAFLQNHXKLMHC-UHFFFAOYSA-N 436.489 4.892 30 10 IJEE C#CCN(C(=O)C[C@]1(C)CC1(Cl)Cl)[C@@H]1CCOc2ccc(Br)cc21 1538198661 JUVVOWQKAVOADU-RHSMWYFYSA-N 431.157 4.709 30 10 IJEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1538387125 DSXRCCNAZSMXKX-SFHVURJKSA-N 449.429 4.736 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1538704134 IHGMEUFHBKMGHV-UTKZUKDTSA-N 448.371 4.982 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)cc21 1538951638 PVYLLRYZGLYJGL-UHFFFAOYSA-N 440.341 4.672 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@@H]1CC 1538971099 FZNRJQLUPVJMQW-PMVMPFDFSA-N 437.632 4.757 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2[S@](=O)C(F)(F)F)cc1 1539197077 DSCNMEINAQNPMU-LJAQVGFWSA-N 425.428 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(O)CCCC1(C)C 1539345068 PGNWDLGRLPRVPA-MHZLTWQESA-N 445.611 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)C[C@H]1CC 1539639945 CYJNSKGDIDSCLM-ZQAYVECASA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1cccs1)N(C)C 1539655472 MNPVUCQVKFRQSN-LJQANCHMSA-N 440.573 4.620 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)S[C@H](C)C1 1539730711 SCLRECRZWIDJSB-ZVDOUQERSA-N 444.645 4.958 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)CCC(C)C)CC1 1539896204 JMDCAKDKPFVBEB-OTPAQWSUSA-N 432.653 4.786 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1539968473 ZRMNVKGIVPPMSH-BGYRXZFFSA-N 443.636 4.841 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1ccc(Cl)s1 1540044648 YLZVSHBYOVHFQD-UHFFFAOYSA-N 429.977 4.727 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1c(CC)noc1C 1540134079 RTUFLUJJBGLKED-UHFFFAOYSA-N 448.596 4.734 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCS2)C1 1540884395 OQWGVMBPHCKICQ-DBVUQKKJSA-N 449.020 4.748 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1554357846 HYNZXJDPMLEPDC-YKSBVNFPSA-N 441.023 4.849 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1562900512 GUTCTAYSYNLGNN-GMWXCSQMSA-N 434.540 4.929 30 10 IJEE C=CCOc1ccc(CNC(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)cc1 1564053644 RVZFFKJULXIXNZ-UHFFFAOYSA-N 438.568 4.970 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 1564406753 NGATVMUZELXHSY-QUCCMNQESA-N 437.506 4.946 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 1565032198 OLHJASXYIQCAHD-UXHICEINSA-N 436.552 4.874 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 1583244569 UUHVNTLIADLUCG-AEFFLSMTSA-N 431.414 4.680 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C(C)C)cs1 1588271090 DNQFUWFEVRXBGN-INIZCTEOSA-N 427.549 4.645 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccccc1Cl)N(C)C 1589178114 RNWBIWYDKIFFKE-HYBUGGRVSA-N 437.975 4.795 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)CCc1cccs1 1593722019 JJTXKRTWOWVUDT-UHFFFAOYSA-N 433.581 4.826 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](COC)C1 1593932295 GPQFEPWTYXQXDJ-OAHLLOKOSA-N 427.401 4.839 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CC2(COC)CCCCC2)CC1 1594248238 ZGLIQVVMMSAMGD-UHFFFAOYSA-N 429.634 4.633 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1594709387 SSLLEPREOBOKGJ-UHFFFAOYSA-N 433.556 4.520 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1595009399 DIKNXLHMZLXTJF-SFHVURJKSA-N 445.633 4.756 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCCCCC1 1595267560 YJBLVWWVCUCBQN-UHFFFAOYSA-N 449.599 4.526 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCOc2ccc(F)c(Cl)c2)C1 1595721329 DTIXEHKHPOESLG-SFHVURJKSA-N 434.943 4.589 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)C(=O)OCC 1596778582 VOWYQQWQSUKOGP-KRWDZBQOSA-N 447.944 4.681 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)C(=O)OCC 1596778584 VOWYQQWQSUKOGP-QGZVFWFLSA-N 447.944 4.681 30 10 IJEE Cc1nc(CCn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@@H](C)C#N)cs1 1612418903 CTSAPCHZCBTLQT-GJZGRUSLSA-N 440.642 4.735 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(CC3CCCC3)C2)cc1OCC 1620821035 JSTGJBGQQUAYHU-IBGZPJMESA-N 437.422 4.767 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 1621024094 JKRRYKYQSFIPBG-DQLDELGASA-N 432.992 4.866 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 1626392813 FUEZPMJSVAKJDA-SFHVURJKSA-N 444.963 4.861 30 10 IJEE C=CC1(CC(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CN(C(=O)OC(C)(C)C)C1 1627396750 HHASMWDTYVZHNY-MRXNPFEDSA-N 443.975 4.608 30 10 IJEE C#Cc1ccc(NC(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c(Cl)c1 1627814698 KWUPFCOCGVTRCS-OAHLLOKOSA-N 427.715 4.532 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 1629139261 GTHBLUYOXMNJCV-JWRCQZCYSA-N 443.009 4.708 30 10 IJEE C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1630132342 FEMFXTLQOMEOAI-WIYYLYMNSA-N 439.408 4.598 30 10 IJEE C[C@@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccc(Oc2cccnc2)cc1 1635039865 GRAAZQYIYNBHMK-LJQANCHMSA-N 441.535 4.775 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cccn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1 1635708110 KWJLPVIJPABWDZ-UHFFFAOYSA-N 449.555 4.848 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21)C(=O)OC(C)(C)C 1636974864 RTEXOKOLOYYTSH-ILBGXUMGSA-N 432.564 4.834 30 10 IJEE CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1638216446 BFXIAUSBEPLVTF-LJQANCHMSA-N 438.524 4.704 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cc(Oc2cccc(Cl)c2)ccn1 1638841690 RJJHJMIBEGMMCN-UHFFFAOYSA-N 441.915 4.901 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2sc3c(c2c1=O)CCC3 1640684031 OSRXKEXWVXMFFH-KCYZZUKISA-N 445.654 4.554 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)[C@@H](C)CC)nc2sc(-c3ccccc3)cc2c1=O 1640814026 RIURTKLCYOQUMY-KBXCAEBGSA-N 428.579 4.991 30 10 IJEE N#Cc1cccc(OC2CCN(CC(=O)Nc3ccccc3Oc3ccccc3)CC2)c1 1641731011 CUDKETBAUBURQA-UHFFFAOYSA-N 427.504 4.832 30 10 IJEE C#Cc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 1651099876 VMRITJJEKPJMLN-UHFFFAOYSA-N 437.543 4.887 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c1 1653529486 RGINBGOWFZZXRT-DEOSSOPVSA-N 449.913 4.830 30 10 IJEE CN1c2cc(Br)ccc2N(Cc2nnc(-c3cccc(C#N)c3)o2)CC1(C)C 1654339306 GMTUBANTOUARJZ-UHFFFAOYSA-N 438.329 4.606 30 10 IJEE Cc1cccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)c1C#N 1654518968 FRAOJTUZBNEBNN-ZDUSSCGKSA-N 431.970 4.992 30 10 IJEE C[C@H]1[C@H](C)CC[C@H](CNC(=O)OC(C)(C)C)N1Cc1ccc(Br)cc1C#N 1654876344 DFAGDQCOMYHYOX-ZRGWGRIASA-N 436.394 4.834 30 10 IJEE N#Cc1ccccc1-c1ccc(CN2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1658092146 HOKDJZLCSYTQCR-QHCPKHFHSA-N 435.449 4.917 30 10 IJEE C=CCCCCCN(C)S(=O)(=O)c1ccc(Br)cc1Br 1660368411 NYIDIHFEQBKYKN-UHFFFAOYSA-N 425.186 4.579 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 1661485366 FCDCJWJUVHWZKW-UHFFFAOYSA-N 431.297 4.600 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)c1 1667411543 GZPBRZIRPYRUAC-OAQYLSRUSA-N 449.551 4.798 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C1CCOCC1 1674597244 PQBSNPFEFSIPAM-VWLOTQADSA-N 434.580 4.761 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 1674603337 BTOIEVTYVPVSHB-UKIBZPOASA-N 443.469 4.949 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 1675018602 PNPSHCOZHJCQSF-LJQANCHMSA-N 433.886 4.589 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 1675023282 JNWUDMBPXROYGQ-QGZVFWFLSA-N 449.345 4.999 30 10 IJEE C[C@@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(-c2ccncc2)cc1 1678519530 CYSFHRNBCAYMHA-HXUWFJFHSA-N 439.563 4.645 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 1678937534 LUMJCACPRNTRET-IBGZPJMESA-N 431.305 4.647 30 10 IJEE C=C(C)[C@H](NC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)c1ccc(F)c(F)c1 1681782936 AUGJPQOQBCIVGJ-SFHVURJKSA-N 439.384 4.808 30 10 IJEE Cc1ccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Br 1685083908 FXDVFEJHSYQIAZ-UHFFFAOYSA-N 446.320 4.521 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCCC[C@@H]1COC(=O)N1CCCCC1)c1ccc(F)c(F)c1 1686173692 NIKXKFQHJYIPQA-WIYYLYMNSA-N 435.515 4.769 30 10 IJEE C#C[C@H](NC(=O)N1CCC(OCC2CCCCC2)CC1)c1ccc(Br)cc1 1686920346 WQEZPIFQZAOZRG-NRFANRHFSA-N 433.390 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1689841795 OBZUDWXQDOXUTL-JXFKEZNVSA-N 430.618 4.588 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1689936968 KJPYIVXJERXWKW-AKIFATBCSA-N 436.600 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC1 1690237972 CWNMDYBRBXDEPI-MDKPJZGXSA-N 430.980 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1C(C)C 1690248619 OUCBAIXAJRNSCE-OAOOKAIFSA-N 430.543 4.753 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC1COC(C)(C)OC1 1690335983 PLEGFRKVLDZBBM-UHFFFAOYSA-N 445.778 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@](C)(OC)CC1 1690422272 JQWZVNSYZASCEQ-HSZRJFAPSA-N 427.549 4.851 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC2(CCOCC2)C1 1690473651 CCRLATPZNLJDRR-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H](C)N1CCCCC1 1690519570 OHDMKULJOHKOLA-SFHVURJKSA-N 446.437 4.903 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCCCC1 1690553673 CLPKRCPAQPPQHU-NRFANRHFSA-N 439.648 4.899 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCSC1)C1CC1 1690554093 TXLMUUJEMXZSSS-HKUYNNGSSA-N 447.649 4.648 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)S[C@@H](C)C1)C(C)C 1690580847 GRVFDJKIQODHOI-PCCBWWKXSA-N 443.661 4.875 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](C)C1)C(C)C 1690581767 YLIQVBXARACZTE-AWRGLXIESA-N 432.616 4.608 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CSCCS1 1690586325 KEJGVKJBJKSIIL-QGZVFWFLSA-N 438.569 4.574 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1690589927 GOGASQUCJMGSML-GOSISDBHSA-N 441.551 4.662 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(Cc2ccco2)C(C)C)cc1 1690679551 YWEVYTNFLJBIRO-UHFFFAOYSA-N 429.524 4.961 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2OCC)CC1 1690745064 XCUWABJZWWEIOY-UHFFFAOYSA-N 441.645 4.580 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(ccnc2O)C1 1705509603 LDPPBOORVTYQJH-UHFFFAOYSA-N 429.568 4.709 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705510043 NCCPQJACHBFBKX-BJKOFHAPSA-N 430.600 4.970 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2sccc2C1 1705521316 XUGRYWQFWPMKLB-UHFFFAOYSA-N 426.973 4.938 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(F)c1F 1705545081 OKWXSUQELMMJSD-OAHLLOKOSA-N 426.536 4.722 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1cc(Cl)ccc1OC(F)F 1705600944 RFIILOYXRQGYBE-UHFFFAOYSA-N 446.929 4.777 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CC[C@H](F)C1 1705671397 JDIMFLFPOWYDPD-JVFUWBCBSA-N 440.563 4.873 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](c3nc(C)cs3)C2)nnc1C(C)(C)C 1705707879 UEQRIJXWIXDBAD-FHWLQOOXSA-N 429.634 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccn(CC)c1=O 1705712414 SRTBCLMQAOIFTG-UHFFFAOYSA-N 433.600 4.875 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@H](SC)C1 1705737830 CDADPHAKWDULQM-NRFANRHFSA-N 439.629 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN(CCC)CCC)CC1 1705763975 KAQGCOXSIMUYBQ-UHFFFAOYSA-N 449.441 4.704 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(OC)CCCC2)CC1 1705776998 VMHHUTHQCCMLOV-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H]1CCCCO1)C1CC1 1705851415 GPNVKRJTNAFBLZ-KRWDZBQOSA-N 449.368 4.961 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCSC1 1705860613 UHYJLDPWVDFUQS-NRFANRHFSA-N 430.581 4.548 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1705861422 FOUDNEKHHVLNRI-DEOSSOPVSA-N 425.646 4.566 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(C)[C@H](C)CC)C1 1705919281 ALRLKXXIUCSPTO-OFNKIYASSA-N 439.648 4.754 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cc(C)ccc2OC(F)F)C1 1705926981 ORTSVRANNLVDSI-FQEVSTJZSA-N 446.542 4.750 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCC(C)CC2)nc1 1722277509 NDKNSCIXBVSVAT-LJQANCHMSA-N 449.002 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)c1ncc(C)s1 1722391888 XUZSWGUTKSGDHL-SIKLNZKXSA-N 431.609 4.852 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCCN1CCCC1 1722405439 LPIOCJIFUFZTJL-UHFFFAOYSA-N 430.600 4.527 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1722465570 OEIMFYSSTKXIRF-TZIWHRDSSA-N 426.630 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1cn2ccsc2n1 1722514791 FRJNSJPHLSJBIU-UHFFFAOYSA-N 436.585 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(Br)cc1 1722515395 KJQBCMZNLMBUBJ-SFHVURJKSA-N 433.394 4.580 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1c(F)cccc1F 1722518964 YEFBOPYCYZESBZ-UHFFFAOYSA-N 436.304 4.917 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCN2CCC(C)CC2)CC1 1722568302 GSSZFFDXZJAMER-UHFFFAOYSA-N 437.632 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](COC)C1 1722585366 XXAWIIKCAGZTAQ-INIZCTEOSA-N 433.394 4.783 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1722653890 MXQBFYCRXKYEEZ-BCDXTJNWSA-N 430.980 4.869 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCCc1nnc(C)s1 1722663608 CTZZPPVOZRMAEM-GOSISDBHSA-N 444.630 4.567 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOC(C)(C)C)C1 1722713276 CQQLKADMNWFCNB-IEBWSBKVSA-N 444.645 4.728 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(F)(F)CC2)on1 1727169813 FKCYGTLKOCVNQH-UHFFFAOYSA-N 440.498 4.992 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N2CCCCC2)CC1 1740584570 HYDLFXOCYBBOOJ-QHCPKHFHSA-N 449.643 4.903 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1740747267 CPRPGXNPHNFAIK-YJBOKZPZSA-N 425.415 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(Cc1ccco1)C(C)C 1740757366 VLBLYJIGGVZUIE-NFBKMPQASA-N 436.556 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740844670 QFASWHOYVYHSKV-WOJBJXKFSA-N 449.599 4.644 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740849155 ZYIJUTAYYIAQMR-LEWJYISDSA-N 428.552 4.839 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N(C)C1CCC2(CC1)OCCO2 1740849445 JOCUSCSYRRJKMM-UHFFFAOYSA-N 438.616 4.902 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1740874864 JQIRRUUJBQNBSM-OAQYLSRUSA-N 433.556 4.973 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)C1 1741489752 APFZJKFWVFFIKE-FYYLOGMGSA-N 434.632 4.810 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC(C)(C)C(F)(F)F 1748780712 IMUHEHCEOMPMCC-UHFFFAOYSA-N 438.494 4.791 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C(F)(F)F 1748913319 RMNDOKWUTLSHIS-UHFFFAOYSA-N 429.284 4.756 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)OC1CCCC1 1749024269 LESGSHBBZABRJG-INIZCTEOSA-N 430.643 4.808 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)S[C@H](C)C1 1749141128 WYQFIWCONIABJS-WCAYHLDQSA-N 448.677 4.508 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1749467446 PHODZTFGPWKKNG-QZTJIDSGSA-N 446.437 4.698 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1(SC)CCC1 1749532547 UCLUDYJKXAXCCN-UHFFFAOYSA-N 444.608 4.614 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCC[C@@H]1CC 1749538545 XAASYYTZKMPTNY-RPWUZVMVSA-N 437.632 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(SC)CC1 1749589722 DVRYBLBCBNGIDT-WOJBJXKFSA-N 444.645 4.920 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CC=CCO1 1749592133 CUVKAYUJLLAZAS-MRXNPFEDSA-N 444.988 4.797 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2Cl)CC1 1749755035 CPFCNVXMGWWAOS-UHFFFAOYSA-N 434.053 4.766 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCSCC=C 1760124011 NHKUFYCAOQRPHB-AWEZNQCLSA-N 425.385 4.541 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCSC2)C1 1760130490 KHHDLZUEKVZSRQ-QFIPXVFZSA-N 432.540 4.683 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N(C)Cc1ccccc1 1760172823 AATUCOROPBDKRB-VQTJNVASSA-N 447.652 4.721 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](SC)C(C)(C)C 1760221294 QRMDAVBLLOOFBF-JOCHJYFZSA-N 433.625 4.591 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760242072 RSJBCTRCFNIWLI-FQRUVTKNSA-N 437.607 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCOC(C)C 1760294422 WQRICFKJWRHLQJ-RUZDIDTESA-N 433.556 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1760334204 VBLNYYLBQQMFBZ-PMACEKPBSA-N 434.588 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760407303 ZOOJJKHPRCJQRB-UHFFFAOYSA-N 429.996 4.506 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1760409001 WJOUJRSDKNZOHP-UYAOXDASSA-N 440.588 4.918 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1C1CCC1 1760563142 IVTMZDZTQOVDNI-FQEVSTJZSA-N 428.602 4.650 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CC[C@H](C)C1 1769798121 CQMNYGCMGQVAIW-BWAGFHJFSA-N 439.604 4.519 30 10 IJEE COc1ccc(/C=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1OC 1772739851 WMQXSWFQONGRSU-NLUKZUHQSA-N 444.582 4.800 30 10 IJEE CCCCCCCCCCn1cc(OCc2cccc(C(=O)O)c2)c(=O)cc1C(=O)O 1857890756 BXNJNQBBHZMYPU-UHFFFAOYSA-N 429.513 4.964 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)N[C@@](C)(C#N)c1ccc(Br)cc1 1858042717 WCIHIFAHYLGHRJ-KRWDZBQOSA-N 428.113 4.933 30 10 IJEE Cc1nc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc(O)c1-c1ccc(Cl)cc1 1858555846 XZLNMWXAZVLQTJ-UHFFFAOYSA-N 447.926 4.538 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 1860637037 DCBSYJMAVRCTEE-JQIJEIRASA-N 429.516 4.905 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862430265 HBWKOCNGWPONBF-OAQYLSRUSA-N 444.934 4.789 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(O)c2)cc1 1862507405 KMSVWRBKTCHEEJ-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2c(F)cccc2Cl)cc1 1862530975 CCZCTXOCGOIHON-HXUWFJFHSA-N 431.891 4.656 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(N(C)C)cc1 1862559485 PFFUKPSEHQPPPY-XDHUDOTRSA-N 441.531 4.674 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862664518 KUNOBUPILJCZIQ-ISKFKSNPSA-N 449.547 4.966 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862690759 DIVDNHKICTWNEN-CUHUQNRHSA-N 448.563 4.918 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862691338 KQPSVSSAKNYDPY-JOCHJYFZSA-N 449.503 4.695 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc(F)c2)cc1 1862749404 XOKFQBOHRNAMFT-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc4c(O)cccc34)=C(c3ccc(F)cc3)C2=O)c1 1862769161 UWEUHQPPDZTUJM-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2cccc3c2CCCC3)C1=O 1863065007 RSDRBBXELQYBCM-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(CCc2cccs2)C1=O 1863179857 JHLJCUUXASEBLQ-UHFFFAOYSA-N 433.920 4.708 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1cccn1C 1864516499 KQPZGJQQGLPEGJ-OAQYLSRUSA-N 441.620 4.501 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCOCC)c(=O)cc1CSC(C)C 1870184103 JPWCOHJUKHVEBB-UHFFFAOYSA-N 441.634 4.809 30 10 IJEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1871137847 SRNCBFZSDCOBQL-UHFFFAOYSA-N 431.536 4.616 30 10 IJEE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871367152 WIWCJPGSIJUECC-KNXZYVGWSA-N 426.424 4.959 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872361377 NGBXMKCHTOXAPL-GOSISDBHSA-N 434.524 4.821 30 10 IJEE N#Cc1cccc(Nc2[nH]c(=NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 1873477706 VUNFXAMVLZRJMC-UHFFFAOYSA-N 431.503 4.507 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccc(O)cc1 1874194331 JSFBQPROMSZVFI-ZVHZXABRSA-N 440.569 4.863 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCCO)cc1 1874284101 OTRHOIIKIOKBIV-PCLIKHOPSA-N 443.016 4.981 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1OC 1874331295 GEPNXHBYAPDZIC-PCLIKHOPSA-N 436.581 4.858 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874390352 IRYMIAWLTGSMBN-AFUMVMLFSA-N 434.487 4.553 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(F)cc2F)c1 1874516994 OTYHLHGMYKJRAR-OPEKNORGSA-N 441.507 4.664 30 10 IJEE CN(C)c1ccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 1874569009 CENWONMFYBZMGW-KOEQRZSOSA-N 431.565 4.680 30 10 IJEE O=C(/C=C/c1cc(Br)ccc1OCCCO)c1cccc(Br)c1 1874575863 KPUNTCSQUYACKK-FNORWQNLSA-N 440.131 4.869 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Br)ccc1OCC(N)=O 1874584298 HGNQXPABBVBLGE-VMPITWQZSA-N 446.341 4.515 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874598033 PXOUGYABYRMRGE-QKAYDNCFSA-N 433.479 4.987 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1C 1875108536 SVCZMNPYXOIORE-FERLCFGISA-N 445.309 4.747 30 10 IJEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875120848 NDYPOSKUVMMZCS-XVNBXDOJSA-N 429.400 4.979 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)c1 1875147540 YQASLJNHLYQYEZ-VMPITWQZSA-N 433.460 4.531 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(-c4ccc(C)cc4)[nH]n3)ccc21 1890914953 JHIYTJDDILKSRJ-UHFFFAOYSA-N 430.508 4.575 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)c(F)c2)NCC)C1 1892685339 YMEZKJSIZKMXFS-KRWDZBQOSA-N 427.358 4.722 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(CC#N)CC1 1984693649 BPOKTUGHJVFEOD-RUZDIDTESA-N 445.563 4.702 30 10 IJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1987480426 UETYJWZZBFSLHH-FGZHOGPDSA-N 432.681 4.736 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2020791915 ZCOOXZPHPLNDAX-IAGOWNOFSA-N 437.487 4.965 30 10 IJEE COCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2035395608 OILFSVKNIAUEHX-UHFFFAOYSA-N 449.523 4.533 30 10 IJEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CCCOCc1ccccc1 2066522215 KSZCMDFLCVCTCL-SFHVURJKSA-N 443.418 4.564 30 10 IJEE C=CCN(CCC(=O)N(C)[C@@H](C)c1cscc1Br)C(=O)OC(C)(C)C 2066527287 RJCMLBUXGWUXEF-ZDUSSCGKSA-N 431.396 4.843 30 10 IJEE CCOc1ccc([C@@H](CC)n2nc(C3CC3)c(C=NO)c2I)cc1 2080101152 BYBCCOGEMBVXDN-MRXNPFEDSA-N 439.297 4.571 30 10 IJEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)cc1Br 2156285776 UUPZSNHPXPICAS-IFMALSPDSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)CC1(C)C 2181112242 MJUVEXXIPITEDU-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CCC(Oc2nc(Cl)c(C#N)s2)CC1 2184503716 ATGANCUEYWNCOA-UHFFFAOYSA-N 425.860 4.815 30 10 IJEE N#Cc1cc(Br)ccc1NC(=O)CCCCCNC(=O)OCc1ccccc1 2220589915 XODHKQALXSDZEE-UHFFFAOYSA-N 444.329 4.746 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@H](O)C#Cc1ccccc1Br 2235738991 DVRQJVRWCGKOBM-RTBURBONSA-N 434.374 4.731 30 10 IJEE Cc1cc(Br)c(CN(C)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)s1 2237641889 LGYCJGKZUSGNHW-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2251932681 WTXQHHQVZNDVNQ-QFIPXVFZSA-N 427.497 4.949 30 10 IJEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]1(C)CCOCc1ccccc1 2282681544 XMKJNZJLRJJCOO-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccccc2)C1=O 2293603137 OZCLWAMFWADOPP-UHFFFAOYSA-N 428.307 4.698 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2296220403 XWDBAOBRADZRAR-UYAOXDASSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C1CCCN(C(=O)OC(C)(C)C)CCC1 2296231988 JMTPWQOIRBSHJD-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2ccc(Br)cc2)CCC12CCC2 2296280655 BZGCWNBBZIHRHG-QGZVFWFLSA-N 432.358 4.940 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2296302932 PLHHRTOGKKHJTE-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE CCC[C@]1([C@@H](C#Cc2ccc(Br)cc2)NC)CCCN1C(=O)OC(C)(C)C 2296307683 XUGGLHXIJDCVEN-DENIHFKCSA-N 435.406 4.958 30 10 IJEE COc1ccc(N=C2SC(=Cc3cc(Br)ccc3OC)C(=O)N2C)cc1 2297558941 OMYQKPIYIWCNFZ-UHFFFAOYSA-N 433.327 4.700 30 10 IJEE CCCN[C@@H](C#CC1(SC)CC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2299643960 VWJJIBTYAJSFKA-ILWGZMRPSA-N 446.657 4.752 30 10 IJEE O=C(CCSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1nc2ccccc2s1 2313921989 VKXYMMDYWNOYBF-UHFFFAOYSA-N 449.565 4.646 30 10 IJEE C[C@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317311682 UAOOKLDKHZTTPK-FUHWJXTLSA-N 429.370 4.536 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2CC(C)C)c1OCc1cccc(Cl)c1 2321906964 PNTCFHHFNALXRQ-UHFFFAOYSA-N 430.961 4.889 30 10 IJEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1 2321961478 DFRQXCCJNLNKFM-AWEZNQCLSA-N 432.303 4.941 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(Br)ccc2OCC(N)=O)cc1C(C)C 2322795597 YZYYFUVTDLKXLP-UHFFFAOYSA-N 446.341 4.650 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 2323141641 BOZMPMJYBRJZRT-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(C=NNc2nnc(-c3ccccc3)c(O)n2)cc1OCc1ccc(C)cc1 2323283436 MUDMFLZYWRQUDF-UHFFFAOYSA-N 441.491 4.586 30 10 IJEE CCN(CCO)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2323985351 HEDBRTGSAWDTQK-UHFFFAOYSA-N 429.516 4.798 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1C 2326603913 VBRDNZATNLBCMJ-UHFFFAOYSA-N 444.560 4.672 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)cc1 2328360622 UNKIZCOFIRKKIT-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE COc1cc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SC)ccc1OC(C)C 2328767187 XPWQYYCNVVZNRK-UHFFFAOYSA-N 440.569 4.874 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)cc1 2329246900 WRDLVVVEMJQURZ-UHFFFAOYSA-N 429.549 4.755 30 10 IJEE CCCCOc1ccc(C=Nn2c(COCc3ccccc3)nnc2SC)cc1OC 2329300704 PAUIJOYHWJBZCC-UHFFFAOYSA-N 440.569 4.787 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2330653776 GUEXZTOYDRBKNE-UHFFFAOYSA-N 431.477 4.733 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331032897 YEMUBZANFGKPTP-IBGZPJMESA-N 445.855 4.627 30 10 IJEE CCCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccc(F)cc2)cc1 2331554972 WYPBWRXHATWNEG-UHFFFAOYSA-N 428.533 4.917 30 10 IJEE C=CCSc1nnc(C(C)C)n1N=Cc1cc(Br)c(OCC)c(OC)c1 2331705247 VNRPOYAGVCANFS-UHFFFAOYSA-N 439.379 4.732 30 10 IJEE CC[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338520171 WVCWWNPVJBCNLX-LOSJGSFVSA-N 434.433 4.691 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(NC1CC1)[C@H]1CC12CCC2)Cc1ccccc1 2345020328 BTQXSSMUQDLSHK-LMSSTIIKSA-N 442.651 4.825 30 10 IJEE CC#CCCCC[C@H](OCC(=O)O)c1sc(Cl)cc1I 2366721640 KGXKXTVCSAEIIH-NSHDSACASA-N 426.703 4.732 30 10 IJEE O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 3027541 XDEXRIDNMVHLPD-YDZHTSKRSA-N 449.264 4.616 30 10 IJEE Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(SCc4cccc(C#N)c4)nnc23)c1 9558645 IXAMOWATKPIYAU-UHFFFAOYSA-N 437.528 4.814 30 10 IJEE COc1ccc(N/C(S)=N/C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 13638377 YYDVPTBPRLFTQR-UHFFFAOYSA-N 439.562 4.537 30 10 IJEE O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21226702 WRPLWLGNBCCCEN-DZGCQCFKSA-N 431.275 4.906 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccco1 21355896 ZTZGKADJJBQRFH-WAIKUNEKSA-N 435.524 4.785 30 10 IJEE COc1cccc(C(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)c1 59015669 FJUITQIQEFDXGR-ZVBGSRNCSA-N 436.324 4.541 30 10 IJEE COc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)ccc1OCc1ccccc1 64981389 AGUWRVVJFJXMRY-VULFUBBASA-N 438.491 4.848 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)/C=C\c2ccco2)cc1Cl 107877594 CZBOGKSPBNBYNJ-FYJQUHEMSA-N 433.895 4.747 30 10 IJEE N#C[C@@H](C(=O)c1csc(I)c1)c1ccc(Br)cc1 124130115 TZWYSLZQNBEDDK-LLVKDONJSA-N 432.080 4.605 30 10 IJEE COc1ccc(Br)cc1/C=N\Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 169940575 BHCMTVONJPHSCR-FBHDLOMBSA-N 445.342 4.986 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1C 169983326 XBDKUBDNYWPAJU-OAQYLSRUSA-N 433.485 4.877 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccs2)cc1 169985068 CROMMUPPZUTQDK-NRFANRHFSA-N 435.501 4.938 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2C2CCCCC2)c1 170145381 QUUVCWWMLAAQIH-DEOSSOPVSA-N 446.547 4.735 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1 170203923 MZJBUBMISUZTJV-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)ccc1OCC(C)C 170212206 XESVOJLITMLPQZ-HSZRJFAPSA-N 434.536 4.946 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C)o2)cc1C(C)C 170307283 LHPJMGPAMALRJB-QHCPKHFHSA-N 446.503 4.894 30 10 IJEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 170407905 PIPMLPFPUOPVFE-QFIPXVFZSA-N 431.444 4.605 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(O)c1)c1cccs1 170423626 QIIVDJZYSDKXEB-JOCHJYFZSA-N 444.512 4.756 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)ccc1OC 170439395 AXTFXVIFBZXZFW-QFIPXVFZSA-N 445.462 4.887 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3cccc(OC)c3)c(OC)c1)C2=O 210087214 JWRADOIKLVITSL-ZMOGYAJESA-N 446.455 4.938 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OC(=O)c3c(OC)cccc3OC)c1)C2=O 210090255 UIOJXRCHIDTMOX-OEAKJJBVSA-N 446.455 4.938 30 10 IJEE C[C@@H](NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 446466754 NOPJAMBOGJEYGN-VLIAUNLRSA-N 427.430 4.623 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 460780841 SEHYCTDNVRURRP-URXFXBBRSA-N 430.600 4.502 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)CC1 493806708 FVOLSZNGXGNUGF-UHFFFAOYSA-N 431.005 4.572 30 10 IJEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN1CCOCC1 504517396 NEHOOTOVVLNUDJ-PLKPRKFZSA-N 429.601 4.996 30 10 IJEE biogenic C=CCn1c(SCC(=O)NC[C@@H]2C[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 509951012 CYBKZLWLVANLJY-ICSRJNTNSA-N 438.984 4.797 30 10 IJEE C=CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc(OC)c1OC 524635672 HXGATGYDTATUDH-MSOLQXFVSA-N 435.442 4.751 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cc(F)ccc2F)=C(Sc2ccccc2)C1=O 526659052 HQSYQWPGYWHGRZ-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccc(OCC)cc1 526830303 VMEPPBCZNIBOAS-UCQKPKSFSA-N 442.541 4.574 30 10 IJEE COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2cc(C#N)c(SC)nc2O)c1 542375407 RKPJKFDYEIQTSJ-IFMALSPDSA-N 445.544 4.760 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1cccc([N+](=O)[O-])c1 557875938 CFEVENLWDXTBKW-RUZDIDTESA-N 447.560 4.819 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2cccc(F)c2)cc1 586303493 FXMXYWAXRAZVGD-UHFFFAOYSA-N 438.480 4.520 30 10 IJEE Cc1ccc2nc(-c3ccc(NC(=O)C(=O)NCc4ccc(C#N)cc4F)cc3)sc2c1 609257098 SXNZPNBPCXCJJH-UHFFFAOYSA-N 444.491 4.537 30 10 IJEE C[C@@]1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCN1C(=O)c1ccccc1 609724255 MNUHFCNBOVFTOS-SANMLTNESA-N 425.488 4.984 30 10 IJEE Cc1cccc2c(N3CCC[C@@H](c4n[nH]cc4NC(=O)c4ccccc4)C3)c(C#N)cnc12 619489010 WLEYVNJLAMMFBT-LJQANCHMSA-N 436.519 4.774 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C2CN(C(=O)OC(C)(C)C)C2)cc1 686263235 JKISRLPEELAAFV-QHCPKHFHSA-N 431.533 4.586 30 10 IJEE CC1(C)OB(c2cc(I)cc(CC3CCCCC3)c2)OC1(C)C 725389014 KJSYBPNUOFXWQS-UHFFFAOYSA-N 426.147 4.713 30 10 IJEE N#CCOc1ccc(Cl)cc1CSCCC(=O)Nc1ccc(N2CCCC2=O)cc1 735319961 GULXYTYRCMUGPF-UHFFFAOYSA-N 443.956 4.631 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)c2)[n+]2cccc(O)c2Cl)c1 735664858 BEAFBNAAHSDUOG-UHFFFAOYSA-O 437.928 4.646 30 10 IJEE COc1ccc(CNC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1C#N 746784343 DCJZPUZTESZZJQ-UHFFFAOYSA-N 433.552 4.570 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2cnc(-c3ccccc3Cl)s2)CC1 747951540 CKGACKKKRKQWLO-HEOKHYPTSA-N 445.972 4.940 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1C#N 757913604 PLTZLGNTONTVSO-UHFFFAOYSA-N 444.207 4.550 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN(C)Cc2csc([C@@H](C)OCC)n2)c1=S 765034432 BMTCVEOHASZTFA-CQSZACIVSA-N 435.644 4.972 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CC(C)(C)OC3(CCCC3)C2)c1=S 785519432 KFUPWAVYYIAPHJ-UHFFFAOYSA-N 428.602 4.657 30 10 IJEE Cc1cnn(-c2ccc(C(=O)[C@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc2)c1 787051929 VXZBXRIVBZQAHT-KUHUBIRLSA-N 441.318 4.687 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)[C@@H](C#N)C(=O)N(C)Cc3ccccc3)cc2)cc1 787065245 FDNUMHVUMTTXKQ-XMMPIXPASA-N 426.472 4.663 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 789719337 NPGXEQUDUIVWBH-UHFFFAOYSA-N 436.961 4.626 30 10 IJEE C=CCn1c(SC[C@H](O)c2ccc(F)cn2)nc2scc(-c3cccs3)c2c1=O 799606827 OOMKGIJMJMGVFR-HNNXBMFYSA-N 445.566 4.732 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cncc(Cl)c2Br)CCCN1C(=O)OC(C)(C)C 808873354 JKTZSAKBESPZNB-SFHVURJKSA-N 444.757 4.782 30 10 IJEE C#C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccc(F)cc1 812749683 XKTPIMAPJZFCJV-OALUTQOASA-N 445.922 4.629 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3F)n2)cc1 1084568894 AFAOPVYHTUMGKQ-AWEZNQCLSA-N 426.521 4.634 30 10 IJEE C=CCN(C(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1)C1CC1 1127604462 VAIAQMHLPWGSCB-ATIYNZHBSA-N 448.563 4.674 30 10 IJEE C=CCN(C(=O)COc1cc(Cl)ccc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1128003446 PFSSCXHFBOUOKV-IBGZPJMESA-N 436.335 4.561 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccc(Br)cc1 1132223717 BXOIGFDUTYYCII-QGZVFWFLSA-N 448.292 4.664 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C12CCC2 1143911294 FZUGLGHPDPBYDC-FGZHOGPDSA-N 446.551 4.868 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1ccccc1Br 1155458578 PMSSVGDNRRZDHK-MRXNPFEDSA-N 445.785 4.834 30 10 IJEE C=CC1(CC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CN(C(=O)OC(C)(C)C)C1 1163104818 OWVFSMGAABHUDV-QZTJIDSGSA-N 438.572 4.519 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSCC2CCCCC2)c(C(=O)OCC)c1C 1165570490 RIBMJNBUCKMETN-UHFFFAOYSA-N 439.599 4.828 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)ccc1Oc1ccccc1 1203838830 IFBNVWPRPDTSGF-HXUWFJFHSA-N 430.464 4.593 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](c1ccccc1)c1nc[nH]n1 1214868251 AQNCQANALVKINE-JOCHJYFZSA-N 438.491 4.731 30 10 IJEE CCO[C@@H]1CCC[C@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1217466526 HTHBWCNJBIJVMJ-IAGOWNOFSA-N 438.475 4.703 30 10 IJEE Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1221431260 GDGRXHJJBSFTKM-GOSISDBHSA-N 431.565 4.583 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 1226734698 LCGOQOCGOGBPFS-CTNGQTDRSA-N 434.870 4.733 30 10 IJEE CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1264824119 DAHIIXYFGZUIQK-UHFFFAOYSA-N 428.492 4.774 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 1277138553 XWEDQOQLLFMSCR-KKSFZXQISA-N 430.317 4.970 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OCCC 1286441101 PPWBWARWVGEKJN-UHFFFAOYSA-N 444.366 4.944 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCOc1ccc(Cl)cn1 1286516387 BWTVYSCKKJGVQD-JOCHJYFZSA-N 442.350 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccsc1)N(C)C 1286520381 IFHARGOBLWYAQY-NFBKMPQASA-N 440.016 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1ccccn1 1286527975 VPSLUKYFCCHIER-HHHXNRCGSA-N 443.595 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1286556411 PAXUNEYZZHNYPU-NDXORKPFSA-N 448.970 4.930 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cc(C(C)(C)C)no1 1286572228 ZFWBZVYVASUNPK-UHFFFAOYSA-N 445.571 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCCC1(C)C 1286583107 IXPWRAPFQUXIGE-VWLOTQADSA-N 426.605 4.818 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1286648450 DPYJXSDKJIQTOM-GCJKJVERSA-N 430.980 4.728 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC(F)(F)C2)CC1 1286655769 RUFPWJXZDUDAQU-CQSZACIVSA-N 440.336 4.874 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)C)CC1 1286682933 FQZCURSDSQNASX-FQEVSTJZSA-N 429.584 4.834 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1286690512 LFELRTLNQSEOHG-DEOSSOPVSA-N 439.629 4.953 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCCC1 1286746186 RADDCSDNGRPEJR-HSZRJFAPSA-N 437.632 4.977 30 10 IJEE CC(C)C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)N(C)C(=O)OC(C)(C)C 1295484369 BAHAIIWDJXQHBE-SFHVURJKSA-N 445.951 4.617 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@@H]1OC 1300602390 QHKBKVKEYDTMMV-ZVDOUQERSA-N 445.007 4.963 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1CC 1300650546 UTCYFRSEKUPLJT-VXKWHMMOSA-N 431.559 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](OCC(C)C)C1 1300882539 VOWNIGRTODEYFT-DXIQSLLYSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1SC 1300888225 IQTHVFBRJPPLLT-QPPBQGQZSA-N 449.624 4.603 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1301013465 PBURPTGSDLTBHO-LJQANCHMSA-N 445.995 4.684 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@@H]21 1301147875 IIAXXSJNPUZXJT-PMACEKPBSA-N 443.636 4.984 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1301198562 MTQDWNNNGUFTNS-HXUWFJFHSA-N 437.617 4.705 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301211023 BSUQUHHXDTWZLQ-UHFFFAOYSA-N 448.571 4.517 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCC1(F)F 1301379315 FWKUFVNULHIDRP-SFHVURJKSA-N 430.499 4.720 30 10 IJEE C=CCn1c(-c2ccc(C)o2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1301437947 BGHIQIYOYONJOI-UHFFFAOYSA-N 435.528 4.942 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1301612323 XHSJMIMCIQFVOB-UHFFFAOYSA-N 427.662 4.891 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 1309336327 ZMQOXVQVSJYBAE-GOSISDBHSA-N 441.494 4.975 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1310863112 FDHLXUBHRDRCDO-INIZCTEOSA-N 433.350 4.990 30 10 IJEE C#C[C@@H](NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cl)cc1 1312903481 JHIJMUHKMHMZDP-LLVKDONJSA-N 449.629 4.833 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H]2CCCCS2)c1 1316528339 CRYGASGEMYJQGC-SFHVURJKSA-N 435.519 4.881 30 10 IJEE C=CCN(C(=O)c1cc(C(F)(F)F)ccn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350510406 RYTYKSUUDRXMEA-UHFFFAOYSA-N 434.399 4.965 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3cc(F)ccc3Br)cc2)nc1 1356209352 GCTJJWUHGPJIRX-UHFFFAOYSA-N 426.245 4.828 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCc1ccnc(C(C)(C)C)n1 1358885607 NERWDDZIQAXDRH-SFHVURJKSA-N 441.583 4.605 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1CSC 1359051555 ASXHSRTZMSBLRV-FQEVSTJZSA-N 428.671 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1359091583 PAOGDPIGSAGWPE-QTEQDKRBSA-N 439.604 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccccc1-n1nc(C)cc1C 1359110163 CBZIORQFLZUYQY-UHFFFAOYSA-N 429.572 4.537 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1359119980 YZQGPSPTRYWQKW-UHFFFAOYSA-N 434.384 4.851 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)c1nccs1 1359128148 LIVOURCNPBGLGF-QGZVFWFLSA-N 437.569 4.980 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1359181301 NNLJVZUCRWVHMV-RCZVLFRGSA-N 438.616 4.937 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(F)c(F)c2)CC1 1359181852 JYOYONSKHLRCEP-WIYYLYMNSA-N 430.543 4.926 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCc1ccccc1F 1359190609 VZDRWGKVHWFFEM-UHFFFAOYSA-N 446.574 4.937 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1NC(=O)CC1(C)C 1359196356 DLNUYQLAJLXCKC-OAQYLSRUSA-N 435.572 4.789 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359220951 NNDDPRKDGLQAKZ-HXUWFJFHSA-N 430.618 4.797 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(CC=C)C1CC1 1359338922 MBRFOYBDHIEYTF-UHFFFAOYSA-N 425.421 4.843 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)C)n1Cc1nc2cccc(Cl)c2n1C 1359926254 HAULUGIGOGVIAR-UHFFFAOYSA-N 427.984 4.756 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)c(C#N)c2[C@@H]1C 1436545903 GSCPNGAKVTZKJG-FMKPAKJESA-N 441.984 4.946 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(Br)cccc2C1 1442856997 GSKUVRKCCSBMAQ-SFHVURJKSA-N 437.378 4.583 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCCC3)c1 1458903255 GCKQJEMKCFOKSU-UHFFFAOYSA-N 425.554 4.772 30 10 IJEE CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)Oc1c(C#N)cnc2ccc(C)cc12 1459098628 FDJGNBDTDAZMLX-CQSZACIVSA-N 437.521 4.622 30 10 IJEE O=C(Cc1cc(Br)ccc1F)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 1460121821 DDJZAXZFUWSMLX-MFKMUULPSA-N 436.165 4.863 30 10 IJEE CCCc1c(NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cnn1-c1cccc(C#N)c1 1461432119 FBMWUCCNWPQEES-MRXNPFEDSA-N 433.503 4.657 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(c3cc(OC)ccc3Cl)CC2)cc1OC 1462404446 ODEFDBXWWAFGAH-UHFFFAOYSA-N 437.367 4.898 30 10 IJEE C=CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c2)CCCC1 1470145476 CEZIWSFVKKIUCM-UHFFFAOYSA-N 442.581 4.677 30 10 IJEE CC(C)(CC#N)CNC(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 1470461835 FMMNNXIMBAHXIZ-QFIPXVFZSA-N 439.604 4.825 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 1473079133 PDJNALMVPCVDLV-UHFFFAOYSA-N 436.471 4.631 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN([C@H]2CCc3cc(Cl)ccc32)CC1 1473352043 BTSCHIILFPVYDT-SFTDATJTSA-N 430.777 4.972 30 10 IJEE C#CCN(C(=O)Nc1ccc(-c2ccccc2)c(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1476689504 OTKVWMPCDNOOCJ-UHFFFAOYSA-N 448.567 4.924 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1507532832 NGTYXHCYCRPGLV-MOPGFXCFSA-N 431.625 4.677 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507672607 FMUIHJMQAYTLBL-WOJBJXKFSA-N 444.501 4.922 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CC)CCC1 1507705936 YLNXRDPTVJVQOO-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)C[C@H](C)CC 1507796223 OBIZYJBQXOKTJH-LZNRXBQRSA-N 426.561 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1507816534 OPLRZPCJXUSCAH-LLJLJFOGSA-N 445.007 4.951 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@@H](OCC)C(C)C)CC1 1507882657 JGUPNJGEXPXLTK-HSZRJFAPSA-N 434.588 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(O)CCCC2)CC1 1507899004 YPMMKCANIGYERO-UHFFFAOYSA-N 449.368 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1507911588 MYBVCNZARQIJEJ-UYAOXDASSA-N 441.620 4.970 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccon1 1507926699 IGDXAJHQSBERGF-UHFFFAOYSA-N 430.350 4.997 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC1CC(F)C1 1507958503 DSMPWJVVGQAMNB-MUYFXNHWSA-N 432.609 4.908 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCCC1(C)C)C1CC1 1507990244 JBNCDPXVOSKGPX-HSZRJFAPSA-N 430.980 4.703 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@@H](O)C1 1508033780 OPKURJJNKSUNBS-JTHBVZDNSA-N 434.584 4.557 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508106482 UMTKXFFGTNHMQU-SANMLTNESA-N 447.583 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(OC)CCCC2)C1 1508129069 PPCVJGXISRQWRB-HXUWFJFHSA-N 442.629 4.619 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1508158786 JCFMSYRRWOLSIZ-OAQYLSRUSA-N 430.593 4.554 30 10 IJEE CC(C)N(CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC#N)CC1)C(C)C 1509546647 FMFXIXHDLAOCPY-UHFFFAOYSA-N 447.631 4.530 30 10 IJEE CCn1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc2cc(C#N)ccc21 1521269910 FTCFDIMHGNQDSN-UHFFFAOYSA-N 425.423 4.983 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)CCCN1C(=O)OC(C)(C)C 1521895616 JQUWWHXLHSTQFC-SQJMNOBHSA-N 429.605 4.532 30 10 IJEE C#Cc1ccc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)cc1 1522547965 UBJIVQVHRUXRST-YADHBBJMSA-N 438.955 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](Oc1ccc(F)cc1Br)c1ccccc1 1524517114 XLXVVJZXXCURNM-TYCQWZJGSA-N 448.332 4.806 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)c1ccc(Cl)cc1 1525039567 YODNBWHJKQDACQ-QHCPKHFHSA-N 428.923 4.854 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1 1525235338 BPMZXQYJJMKRHH-KWXIBIRDSA-N 425.576 4.601 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1C#N 1527170512 AJWWQMYLVNIGRL-UHFFFAOYSA-N 431.508 4.686 30 10 IJEE CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 1530267636 DWQPUALFUMILOF-UHFFFAOYSA-N 447.966 4.995 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 1532129463 BAXCMRRYUBLZSM-UHFFFAOYSA-N 446.890 4.635 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCc1csc(C(C)C)n1 1539031867 QVZMPJPTBHSLFE-SFHVURJKSA-N 437.613 4.700 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccccc2SC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1539316137 CONCLKQEVSPYHW-HXUWFJFHSA-N 442.503 4.708 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)N(C)C 1539392831 VQQCMGPEWJBMOK-NRFANRHFSA-N 437.563 4.542 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)[C@H]1CC 1539607261 AYISXQUZXYABKJ-CRAIPNDOSA-N 433.394 4.953 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1Cc2ccc(Br)cc2C1 1539633187 XDBGGCLFTMMXTH-DYESRHJHSA-N 445.405 4.741 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2nnc(C)s2)CC1 1539832365 SFSGUTBWKXCSMQ-MRXNPFEDSA-N 442.564 4.506 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1539892260 XCILLFDZNTWGCA-SFHVURJKSA-N 437.975 4.787 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1539946950 HATNCIQBKYLSOB-OAQYLSRUSA-N 446.555 4.632 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1CC1(C)CC1 1540182689 UWPQFGVTTXBPIG-UHFFFAOYSA-N 444.377 4.674 30 10 IJEE O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cccn2cc(C(F)(F)F)nc12 1540806809 HJENSTBRWUKXDQ-UHFFFAOYSA-N 437.271 4.808 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1540889609 QCICOWMPJJSOGN-RTBURBONSA-N 431.531 4.645 30 10 IJEE COCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1555215331 FBJLHXZWWGWYKT-MZNJEOGPSA-N 441.645 4.934 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1ncsc1Br 1559333490 UWFMGORLOSDLJZ-UHFFFAOYSA-N 441.351 4.694 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccnc2-n2ccnc2C)cc1OCC 1560424667 AMMNIABYRMNIMR-UHFFFAOYSA-N 443.345 4.914 30 10 IJEE C[C@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1561141108 GPSUSMXUSWMOKA-GFCCVEGCSA-N 439.762 4.888 30 10 IJEE COc1cc(Br)cc(NC(=O)Nc2ccc(C#N)c(Br)c2)c1 1562778974 DUPVCMMZNPVVBR-UHFFFAOYSA-N 425.080 4.736 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1)c1ccc(F)cc1 1564995652 DPCCMBUJKQZCJH-OAQYLSRUSA-N 445.332 4.653 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C 1567637339 ORCCTJFGQHYVRM-UHFFFAOYSA-N 431.558 4.626 30 10 IJEE C=C[C@H](C)ONC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1583413183 SSJGJYZSSKSLCF-AVRWGWEMSA-N 442.515 4.889 30 10 IJEE C=CCCC1(CNC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CCCC1 1584403114 KWACCYMLNLIOEN-UHFFFAOYSA-N 434.646 4.540 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1585119145 DJVJOTTVOHMDAL-WYMLVPIESA-N 442.313 4.667 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(-n2cccn2)nc1 1585941175 AMXVDHASPDSBOG-UHFFFAOYSA-N 432.299 4.809 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1csc(Br)c1 1587758897 JEUOYYZLSRVIOG-MRXNPFEDSA-N 437.407 4.784 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1cccnc1)C(C)C 1588581647 ZJWANTSXBDRVDT-QFIPXVFZSA-N 437.975 4.519 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CC=C(C(F)(F)F)CC1 1589006192 CDQQCQHLAFVFSS-UHFFFAOYSA-N 432.471 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(c2ccncc2)CC1 1589615957 XFSCARJUMURMOE-UHFFFAOYSA-N 441.583 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H]1OC 1589625998 QPPDENRHPPYMBC-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1594511653 SURNKOBXUPFLFR-NRFANRHFSA-N 425.625 4.663 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1594617313 YBGDGLKLYHHODE-OALUTQOASA-N 429.634 4.931 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1595196068 KCCNJTWGQIRANU-QGZVFWFLSA-N 429.540 4.566 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 1598326988 GBWFNLVYNUCZJD-IBGZPJMESA-N 425.532 4.783 30 10 IJEE C=CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cc(Br)ccc1F 1615387838 QJTSLTNBMODLKH-UHFFFAOYSA-N 436.712 4.740 30 10 IJEE N#Cc1cc(NC(=O)N2CCc3cc(Br)ccc32)ccc1OC(F)(F)F 1624210214 AXBRKMUMLDUGLX-UHFFFAOYSA-N 426.192 4.814 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1631773129 XLRLVKXKLHDJIR-UHFFFAOYSA-N 430.504 4.608 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 1633040930 WRHIKIGRPGKBSU-RUZDIDTESA-N 442.515 4.779 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(C)CCO[C@@H]1C 1633842028 PBBCCVUAFSMFLT-QQIMBVITSA-N 448.563 4.544 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 1635881820 GOMTZMSRIMKNOS-UHFFFAOYSA-N 431.536 4.952 30 10 IJEE C=CCC1(C(=O)Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)CCOCC1 1636969615 ZTDZTSFPQQYNRE-UHFFFAOYSA-N 435.590 4.569 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ccc(OCC#N)cc2)C1 1643775324 ATXNEGOTNOUWAV-DHIUTWEWSA-N 439.531 4.611 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@](N)(c3cccc(F)c3)C(F)(F)F)cc2)c1 1648522096 CBWZZPXENDTOEB-JOCHJYFZSA-N 443.400 4.631 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(CC)cc2)nc2sc(C)c(C)c2c1=O 1651629429 OMNYFLMRYGFCJW-HNNXBMFYSA-N 427.595 4.943 30 10 IJEE C=CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)OC 1655989188 DVFPYZSCGDMALV-QGZVFWFLSA-N 436.867 4.527 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1)Cc1ccccc1F 1657042016 UCIQNRQHFVAMFZ-UHFFFAOYSA-N 425.529 4.893 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 1658659243 RVPYXFKMSQLXJD-JOCHJYFZSA-N 439.943 4.839 30 10 IJEE O=S(=O)(Cc1ccc(F)cc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1659478184 AAWDJSWCWMMBSG-NXEZZACHSA-N 441.796 4.808 30 10 IJEE C#CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1660151448 CHNFVORBJVZOQQ-UHFFFAOYSA-N 447.579 4.774 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1669370342 HNMZKIKVUGCSPP-CVDCTZTESA-N 444.604 4.854 30 10 IJEE Cc1cccc(Oc2ncccc2NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1C 1673631954 CLPOFYLAECTJPW-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1C#N 1673850145 GMTCRBLQKGJZHZ-RUZDIDTESA-N 443.503 4.764 30 10 IJEE C#C[C@@H](NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)c1ccc(Cl)cc1F 1674036086 KLOCBESMLVKEGW-IFMALSPDSA-N 435.326 4.898 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 1683106417 GMVURRFQZWDLBM-PKTZIBPZSA-N 427.589 4.606 30 10 IJEE C#C[C@H](NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 1683497757 ILWRCSOUVSUKRM-LOSJGSFVSA-N 433.571 4.832 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 1685845865 NBNRKDUOJWNXAU-TWJOJJKGSA-N 428.580 4.557 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1ncc(CC)s1 1689948667 BLRJENKRBHRFNP-UHFFFAOYSA-N 444.608 4.684 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](c1cccnc1)C(C)C 1690001348 JLFYFBADLPLAEU-DQEYMECFSA-N 425.580 4.728 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1csc(CCc2ccccc2)n1 1690046161 ZGCULOKFBNMFNJ-UHFFFAOYSA-N 443.620 4.689 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCSCC 1690199914 DMCILZUVBWWFGG-HXUWFJFHSA-N 433.419 4.843 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1690303305 XABJFEMVMJFALM-GOSISDBHSA-N 441.526 4.876 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)CC1 1690382522 RJCXTICIBQXUBD-OAQYLSRUSA-N 435.547 4.987 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H]2C)CC1 1690384479 SNGSHHZHJUTBOZ-LWYYNNOASA-N 429.609 4.641 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2(COC)CCC2)CC1 1690404794 RTNLAPBBVVHLNJ-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](OC)C(C)(C)C1 1690437402 BWCISUXWCMHTLD-OAQYLSRUSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@](C)(O)c1cccs1 1690558373 NFKCGLZZSLDJBG-MHECFPHRSA-N 435.597 4.825 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1 1690681221 KCVOUHGEPNVAFW-PKOBYXMFSA-N 436.478 4.521 30 10 IJEE CCc1nc(C)c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)o1 1694574783 FWVWFELKRXUVBE-IBGZPJMESA-N 448.571 4.682 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(OCC)CCCC1 1705485262 GXAOFDCCYTYSNQ-LJQANCHMSA-N 440.588 4.548 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC)Cc1ccc(F)cc1F 1705703718 ONKJDCGSEVGHJH-PGRDOPGGSA-N 441.526 4.949 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1705736207 NSYASOIYVOUKDL-UHFFFAOYSA-N 431.462 4.718 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CCCC2)CC1 1705781839 IWTFPWMISRRSRL-UHFFFAOYSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705790850 HSXZSNAVWCNKJN-HXUWFJFHSA-N 440.567 4.687 30 10 IJEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)c1cccs1 1705803481 RRIHMKOYULFFIR-QGZVFWFLSA-N 434.573 4.536 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccnc(OCC(F)(F)F)c1 1705837149 QUIHAKMNIHMAMM-UHFFFAOYSA-N 443.429 4.698 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1Cc1sccc1Br 1705862931 BDTKGTGLBWLNMA-UHFFFAOYSA-N 447.402 4.880 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccc(Br)o1 1705886902 VVDNKRWQKRTFQK-UHFFFAOYSA-N 439.260 4.724 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCSC(F)(F)F)C1 1705917085 UGKXXUCMWJBBKF-ROUUACIJSA-N 440.535 4.854 30 10 IJEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1706146047 DLPQZLYDPIHVFI-LJQANCHMSA-N 436.585 4.677 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCc1nc2c(s1)CCCC2 1706407673 CSICDDRGCWDAEE-QHCPKHFHSA-N 426.634 4.575 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1coc(-c2cccs2)n1 1706462555 GKAVTLGCSYFSCL-UHFFFAOYSA-N 447.568 4.871 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722310151 HYVILWPNOOLJIM-XLIONFOSSA-N 448.354 4.677 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccccc1C 1722320205 ZSYDHAOQRBRYIG-NRFANRHFSA-N 426.568 4.826 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1722464031 SLUUMFCZIWAPLT-UHFFFAOYSA-N 437.034 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCCCC1 1722499973 GEECFYOBYLZYEF-FQEVSTJZSA-N 429.584 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCN(CC)C(C)C 1722500868 FOENJHYZMOXSLT-UHFFFAOYSA-N 440.455 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CC)C1 1722587697 XSINMJKHMPQPRX-INIZCTEOSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1722588940 HXSJKTADSIJUCW-UHFFFAOYSA-N 441.580 4.559 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCN1CCCC[C@H]1CC 1722657996 RLOVJOTXOIARAM-DNQXCXABSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCOC1 1722659423 VSPCBFYKCHMQKV-YTFSRNRJSA-N 438.616 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@@H](C)C1 1722661833 BFXIACTYCMSQDR-FUHWJXTLSA-N 443.642 4.703 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H]1SCCc2ccccc21 1723390031 ATZLIRYHZWVJPZ-RBBKRZOGSA-N 439.629 4.579 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccnc(SCC)c1 1740533799 DOGNILCMVMAFCA-DLBZAZTESA-N 439.560 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1ccccn1 1740725993 SDFJNWIBBXFWTP-MHECFPHRSA-N 435.959 4.701 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 1740789075 DRMLRLCUNFTPSY-UHFFFAOYSA-N 433.581 4.855 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1740826462 LXKDGDYHEXLGMH-QFIPXVFZSA-N 428.024 4.799 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740828025 TXEMEGHMNOKQNC-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnn(CC)c2)CC1 1740842108 NAJDWKVSUDWLRF-UHFFFAOYSA-N 443.020 4.891 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1740848122 CHLYBBPBADQKRJ-OAQYLSRUSA-N 445.558 4.727 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1740866082 VVUAZRCLVZKYRZ-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1C1CC1 1740891839 KORHSENCYUEAHY-XLIONFOSSA-N 429.996 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(NC(=O)CC(C)C)c1 1740901871 NMFPQQCGWLMZSC-UHFFFAOYSA-N 438.963 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCC1 1740922482 IZLOJQSWEMVWNR-UHFFFAOYSA-N 443.020 4.734 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2ccsc2)C1 1740972325 GVDDAOUAQDHJEB-MJGOQNOKSA-N 442.560 4.643 30 10 IJEE C[C@H]1CCCC[C@H]1OCCn1c(CCc2ccccc2)nnc1N1CCC(CC#N)CC1 1743042799 DLODHVAFSQBDKC-XUZZJYLKSA-N 435.616 4.789 30 10 IJEE CCc1nc(CCn2c(CC(C)C)nnc2N(Cc2ccc(C#N)cc2)C2CC2)cs1 1744479262 CGTIHYVBJKPPOW-UHFFFAOYSA-N 434.613 4.779 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccsc1)N(CC)CC 1748777588 SDHVNSOFVSDXAS-FQEVSTJZSA-N 445.995 4.952 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(CC)CCC1 1748876287 AMRVPVCBZIRAEP-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCc1nc(C(F)(F)F)cs1 1748915063 OKYSAXPPPUPWRX-UHFFFAOYSA-N 439.894 4.776 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1cnc(C(C)C)nc1 1749028657 FUHZLNPVBRYORN-UHFFFAOYSA-N 441.004 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC1CCCC1 1749124363 MYYOQPWTEWXRQS-OFNKIYASSA-N 440.588 4.570 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1749277069 YZXGEXMLYCHLBW-UHFFFAOYSA-N 444.988 4.739 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@H](C)C2)CC1 1749316351 FVPHETYYZMCKNM-LWYYNNOASA-N 429.609 4.641 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1749433791 WDVMJFMYRMSERS-UHFFFAOYSA-N 431.625 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1cccc(F)c1 1749553020 DKRXDYZFFDMYCG-QZTJIDSGSA-N 442.560 4.643 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)C#N 1751363539 DZUVHEKGHXUJQC-NSHDSACASA-N 436.404 4.783 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(SC)c1 1760097380 DLFBIAPYVHOTAQ-IEBWSBKVSA-N 435.597 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCCC1 1760100055 QGRMTAAXTYFWAD-NRFANRHFSA-N 444.627 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1760118595 IWVIEFKRDIOZFQ-AXHZCLLHSA-N 433.600 4.649 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1760141963 MWVFMENIAVEENV-QZTJIDSGSA-N 445.405 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)C(F)(F)F 1760209722 HLCFHVJUBPMGST-INIZCTEOSA-N 436.453 4.609 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C/C=C/c1ccccc1 1760238611 CKFMMJFKTWELKL-GLHYLFFDSA-N 435.572 4.523 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H]1C 1760304065 HWYOFMOXOUKCDL-YPMHNXCESA-N 440.183 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1760324116 IIISGWXHJMDXBS-KNQAVFIVSA-N 439.991 4.634 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(Cl)ccc1OC 1760333306 CUKHYPVPAGXOFP-IIBYNOLFSA-N 441.963 4.553 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760399959 ZQSYUNIXCRJOFU-IBGZPJMESA-N 439.604 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1760410470 GFAIVOSARXNUGG-LJQANCHMSA-N 434.563 4.797 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)OC1CCCC1)c1ccccc1 1760417134 WGYXPXFTLNOGEG-FQEVSTJZSA-N 446.555 4.596 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](NC(=O)OCC)C1)c1ccccc1 1760417805 IUPZVJNOBUBERZ-CEMLEFRQSA-N 439.604 4.866 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](COC)C1 1760430487 KPBKBSWLIVGSNI-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCc2cccs2)CC1 1760432519 OLLDNVHHHVVLMP-UHFFFAOYSA-N 442.032 4.991 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)c1ccco1 1760437795 OFSOVZJOXBYLPN-GOSISDBHSA-N 446.555 4.993 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@H](F)C1 1760482052 QNFHQGDLEGNDOA-HWBMXIPRSA-N 442.579 4.650 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)COC 1760491524 KDWRSYPXENFXBA-CQSZACIVSA-N 439.785 4.822 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C)s1 1760566716 BBSOQMPEWHPZEO-UHFFFAOYSA-N 434.034 4.843 30 10 IJEE C/C(C=NN=C1NC(=O)[C@H](CC(=O)c2ccc(Cl)c(C)c2)S1)=C\c1ccccc1 1772760047 MVBWGLILEHMUGD-GTRQCBHZSA-N 425.941 4.898 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861131237 DDICRLDNYZXJIF-BQXQKYNTSA-N 429.561 4.856 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)COc1ccc(OC)cc1C(C)(C)C 1861625304 UNJHYRAYCYZONK-QFIPXVFZSA-N 446.632 4.839 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1Br)c1ccccc1Cl 1862439780 ONMGXJWAJPRCBQ-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2F)cc1 1862477984 WUZRPMXTROWKDA-NRFANRHFSA-N 429.463 4.667 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2[N+](=O)[O-])ccc1F 1862505709 FRYLLBQXZDNFBY-HXUWFJFHSA-N 426.444 4.667 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862559061 GSSQSJHYEKSFBW-QHCPKHFHSA-N 446.478 4.585 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862599673 FJZYUWIZTUIUER-QHCPKHFHSA-N 446.503 4.610 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862602758 JWOCWRIHOIYBPR-HSZRJFAPSA-N 429.472 4.569 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC)c1 1862664441 JAKPOJVEDBAEFW-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2F)c1 1862703452 UWVYFUHNJWOPNG-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CN1CCCc2cc([C@H]3C(C(=O)c4ccc5ccccc5c4)=C(O)C(=O)N3C3CC3)ccc21 1862720991 JYVYBHWOEWVDDP-VWLOTQADSA-N 438.527 4.963 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 1862836182 AIHIAWWRXPRELG-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccc(F)cc2)C1=O 1863501707 SOJABYCGIGHFBI-UHFFFAOYSA-N 436.446 4.571 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(C(C)(C)C)cc1 1864160580 YAVWAJPTWCZMQF-FQEVSTJZSA-N 436.600 4.540 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866752457 LMECRAGHMBACDG-FCHUYYIVSA-N 441.572 4.704 30 10 IJEE Cc1cccc(OCCCC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)c1 1870110591 ZEILTQWLCPKEHS-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Br)C3=O 1871350387 DAMZLLYNJZHLRJ-NDENLUEZSA-N 444.325 4.644 30 10 IJEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O 1871350455 GWKDJJPFIYCTSE-HAHDFKILSA-N 437.536 4.979 30 10 IJEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCC5(CC3)OCCO5)C4)C2=O)c1 1871359602 RXIOIEBZYVZSPB-QRVIBDJDSA-N 447.531 4.757 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871383398 JHUMTQOWXACEJD-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 1871421780 KTBUCVNUMKHNII-UCQKPKSFSA-N 440.492 4.822 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCOC)nc(Nc2ccc(-c3ccccc3C)cc2)[nH]1 1871637588 DWCSDDOPCNVYLG-UHFFFAOYSA-N 444.583 4.639 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(C)(=O)=O 1871855050 COUFTVAKZKRVOP-PGRDOPGGSA-N 430.570 4.670 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871888340 RPBVWNKZZNGWNW-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871986713 FAYUGPDGPGFAIT-VGSWGCGISA-N 446.588 4.981 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3ccc(Br)cc3)nnc2C(F)(F)F)[nH]1 1873500469 XJDCCXBPMHAHDN-ODCIPOBUSA-N 444.280 4.870 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(OC)c(OC)c3)c(=O)oc2c1 1873935588 GMOTWVSSNKQHJL-UHFFFAOYSA-N 437.492 4.645 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)NCCOc3cc(C)cc(C)c3)c(=O)oc2c1C 1873955088 OCERXXZBXICFFL-UHFFFAOYSA-N 449.547 4.719 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccnc1 1874194268 GSYCVZOSFACDKM-ZVHZXABRSA-N 425.558 4.552 30 10 IJEE CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(Br)cc1 1874247918 DCZRBOCCYLAHHZ-HYARGMPZSA-N 445.386 4.965 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874265263 PGHSIGVGEKEPOZ-SSDVNMTOSA-N 443.916 4.969 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1 1874384567 WUHLNTGFHMXGIP-MFKUBSTISA-N 444.516 4.730 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)cc2)c1C 1874452170 HPGKAHHYMOIQLX-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2O)cc1 1874454129 BPHNJEYBCWGBKE-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1Cl 1874480967 JLDVEQJIBOMFNQ-YDZHTSKRSA-N 427.961 4.842 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cc(C)ccc1O 1874506255 UPUXIIDYCNYKQU-LSFURLLWSA-N 437.352 4.920 30 10 IJEE CCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874507979 GKTJAFIYHXNWEX-PCLIKHOPSA-N 441.645 4.951 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] 1875085317 ZWPVCLUVJXHGKG-YRNVUSSQSA-N 448.387 4.627 30 10 IJEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875088689 ZARKYVXCAJCSJO-FMIVXFBMSA-N 446.415 4.937 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)C1CC1 1875094279 KNLFVRNQAWGQEG-VMPITWQZSA-N 446.253 4.577 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)COCc2ccccc2)c([N+](=O)[O-])c1 1875119271 MEJOAVFYDNDDIH-ACCUITESSA-N 447.443 4.622 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)c(C)c1C 1875166658 CHJORBOFSAIBFP-JXMROGBWSA-N 432.432 4.731 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCCCCC)ncnc2n1CCOC 1875225165 CHCDQGZLXDNEIF-UHFFFAOYSA-N 427.593 4.664 30 10 IJEE N#CC1(c2ccccc2)CCN(C(=O)c2cc(Br)ccc2Br)CC1 1890951287 VPQUSPJKKUDOML-UHFFFAOYSA-N 448.158 4.909 30 10 IJEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2Cl)C1 1892012431 UCTRTSRZVDOVHI-VIFPVBQESA-N 446.121 4.645 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2 1976482277 UDDQZBCOQGUWQK-BDQBCWGISA-N 433.471 4.610 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCC2 2005325259 JPBNAQKWWQVZRE-JLTOFOAXSA-N 447.498 4.763 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 2007710578 VSCYHUDQMPAJPS-XQBPLPMBSA-N 442.522 4.783 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2023408646 RGVHJYPEYYQPBJ-HXOBKFHXSA-N 437.581 4.521 30 10 IJEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)cc(F)c1C#N 2118198492 HLONFKBBKUZISB-OLZOCXBDSA-N 426.330 4.589 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1Br 2124496446 UUJSOELPEVSETB-LBPRGKRZSA-N 437.256 4.876 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 2145529277 QWXWEWBOZZYYKA-VQTJNVASSA-N 437.422 4.975 30 10 IJEE CP(C)(=O)C#C[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218397271 LGGGSHAINNIRRH-OZXSUGGESA-N 449.487 4.789 30 10 IJEE NCc1ccccc1C#Cc1sc(Br)c(Br)c1Br 2222575795 PMGODTGVCMMHQO-UHFFFAOYSA-N 449.993 4.894 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1ccc([N+](=O)[O-])c(Br)c1 2229393327 OOSRUKADCUGPDW-GOSISDBHSA-N 429.311 4.843 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)c1F 2232280395 SQDLIYUMHXIDQN-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@H](N)C#Cc1ccccc1Br)C1CCCC1 2235717597 BOSAMNDKQLHTFD-RBUKOAKNSA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2235720072 HAOZMTLPXDFONJ-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(N)C#Cc2ccccc2Br)C1 2235736049 WIXWXARVABNMNA-FGZHOGPDSA-N 433.390 4.699 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255612068 LPGAGTSVIRAURO-QAQDUYKDSA-N 430.354 4.522 30 10 IJEE CC1(C)OB([C@H]2C[C@@H](C(=O)NC3CC4(C3)CC(OCc3ccccc3)C4)C2)OC1(C)C 2255621899 SHIGHOSKYMLLOH-XHDCPBDBSA-N 425.378 4.503 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2296215631 BYXVWQLCROSUPR-FFZOFVMBSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296223944 FPPBZPWXEXVNDO-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1[C@@H](CC)CCN1C(=O)OC(C)(C)C 2296268511 FTCDHNGGDKCBMI-DFQSSKMNSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)C1CCCCC1 2296284866 VKRBZKBRKQMUFT-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296296805 RRLKDXVCGHNMSW-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@H](N)C#Cc1ccc(Br)cc1 2296305857 ZITOMULNSZAZRS-HXUWFJFHSA-N 429.358 4.568 30 10 IJEE COc1ccc(C=NN=C2NC(=O)C(=Cc3ccc(Cl)cc3Cl)S2)c(OC)c1 2297321305 TWZARSOGDRKSRL-UHFFFAOYSA-N 436.320 4.605 30 10 IJEE Cc1ccc(N=C2NC(=O)C(=Cc3ccccc3I)S2)cc1C 2313670810 XUIYPTITEWOLON-UHFFFAOYSA-N 434.302 4.800 30 10 IJEE O=C(C=Cc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318787233 PFLXTAHNGFDWMT-UHFFFAOYSA-N 444.962 4.856 30 10 IJEE CC[C@H](CCCC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319680734 SRSMYVCRHIGLCB-HXOBKFHXSA-N 438.418 4.545 30 10 IJEE COc1ccc(OCCN2COc3cc(C)c4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2321997520 AAWPAFLYZBFSFU-UHFFFAOYSA-N 449.528 4.912 30 10 IJEE Cc1cc(OC(=O)c2ccccc2Br)cc2c1C(=O)C(=Cc1ccncc1)O2 2322711376 LFQYUJYYMLOKTH-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1[N+](=O)[O-] 2322974891 INRZALITKVEBNW-UHFFFAOYSA-N 448.406 4.635 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1OC 2323057393 GPDHTEQAVMIWCB-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323228930 WGDORIJCHGYBES-UHFFFAOYSA-N 431.463 4.964 30 10 IJEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2324025702 XWXIUNQRAYSICN-UHFFFAOYSA-N 441.483 4.998 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCCOc3ccccc3)ccc2C1=O 2324220225 ZYGZQCKKPGIUKC-UHFFFAOYSA-N 448.471 4.786 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301661 BCJZTXJUZPALHX-OAHLLOKOSA-N 428.419 4.720 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OC)c2)cc1 2325734927 RDSPDVGFIPEPLG-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c(OC)c1 2326094546 POLRTLRFCINEGP-UHFFFAOYSA-N 446.960 4.749 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327175062 DCOTXPOUBOYPAC-UHFFFAOYSA-N 425.514 4.501 30 10 IJEE OCCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 2328089865 XSGUDTHYLKFLTK-UHFFFAOYSA-N 439.972 4.555 30 10 IJEE Cc1ccccc1CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccs1 2328998287 AXVUKVFQDILXCN-GOSISDBHSA-N 439.610 4.547 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(CC)cc2)cc(OC)c1OC(=O)c1cnccn1 2330770184 YHIPEEZXINOKAM-UHFFFAOYSA-N 428.488 4.891 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc2c(c1)OCO2 2331081493 QIIWJTBLFKFGKT-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc2c(c1)OCCO2 2331382869 QHXBGDFONUZOKU-UHFFFAOYSA-N 426.517 4.660 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)c1 2331500527 STHUAKOEYUQBTQ-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)COc1cc(F)ccc1F 2331541467 OSZXKXLBHNLSQD-UHFFFAOYSA-N 442.389 4.993 30 10 IJEE COCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Br)cc1 2331575174 PXOGFXQLHHEMMI-UHFFFAOYSA-N 435.322 4.501 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C 2360197042 DEZIDDHMTNLCCJ-VDGAXYAQSA-N 435.406 4.814 30 10 IJEE C[C@@H]1CCC[C@H]1N[C@H](C#Cc1cccc(Br)c1)CCNC(=O)OC(C)(C)C 2367133746 ZMZXTJZWIWCWFB-NSISKUIASA-N 435.406 4.862 30 10 IJEE CCc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 3041457 FWLAURAEYIQIQP-VYIQYICTSA-N 428.561 4.795 30 10 IJEE COC(=O)/C=C1\S/C(=N\c2ccc(F)cc2)N(CC23CC4CC(CC(C4)C2)C3)C1=O 20220382 LSJAROGZFWCOLX-NLCREJKPSA-N 428.529 4.662 30 10 IJEE CC(C)NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C1)C2(C)C 38288371 HTJJOYHNTRLESN-LCGWOLBCSA-N 435.908 4.502 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCC)cc1OC 38594310 VREYXRNWWYELQJ-HSZRJFAPSA-N 433.504 4.938 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CC=C)cc1OC 39910837 LJCTYJFAVFSCDU-QFIPXVFZSA-N 431.488 4.714 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 41285375 PWSTWZIYAWRJPN-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2)s1 59460938 QMAQAHBSPWPBNG-KEBDBYFISA-N 441.365 4.959 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 62897991 HGLYLUKNWOXXFW-UHFFFAOYSA-N 445.454 4.539 30 10 IJEE CCCCOc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC 96572519 MZKRQYYRZZYHHR-CYXNTTPDSA-N 441.531 4.864 30 10 IJEE COc1cccc(/N=C2\S[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)c1 100369490 DMJRNAJNWYZKDC-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 103097921 PLXPWIJZJDTBTF-SCDSTIRESA-N 446.315 4.780 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2)cc1 170113655 AQDXIMATCYOEGY-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@H]1CCCO1 170122960 DZQVLWFORDFWSY-HOYKHHGWSA-N 443.499 4.606 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143274 DXUDMSVXWZECHV-ISKFKSNPSA-N 431.532 4.631 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccs2)ccc1Cl 170154911 YOLZRERRWBCUOG-LJQANCHMSA-N 449.956 4.804 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccs2)cc1 170157575 ZDULFEKPZAFQBV-NRFANRHFSA-N 435.501 4.857 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccncc2)c(C)c1 170205669 VLLOJFMVJPMKPJ-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1C 170231056 YVWRNHPWQSMNLQ-XMMPIXPASA-N 442.515 4.957 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 170238475 QUUSSQPDUVBZMS-QFIPXVFZSA-N 449.409 4.519 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccco1)c1cccc2ccccc12 170281338 CGEUFKDAHIEBLI-HSZRJFAPSA-N 439.423 4.944 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccco2)cc1 170284799 BVFWWWNXSRTTCZ-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)c1 170285872 UDIGHADPGYOOHX-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(C)o1 170303899 WKMLHPAXWLHHFI-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccncc1 170317187 WQUMCCXRRTWZRY-FQEVSTJZSA-N 430.485 4.976 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2c(O)ccc3c(C)cc(=O)oc23)cc1 252637314 XRTOHEDDVGDIHD-UHFFFAOYSA-N 448.500 4.667 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)o1 442110235 DDLKWNBLEFSGSE-KUHUBIRLSA-N 434.521 4.522 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(F)(F)F)nn2)cc1 471938465 CAMCAKOKSGDJSW-UHFFFAOYSA-N 429.377 4.740 30 10 IJEE Cc1nc(SCC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c(C#N)c(C)c1C 505258787 YQYGCACRXVCHEU-UHFFFAOYSA-N 445.470 4.814 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(n2cc(Br)cn2)CC1 508856873 MNFKTAOIOBGZHM-UHFFFAOYSA-N 447.768 4.585 30 10 IJEE COc1ccc([C@H](N[C@@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 512642368 PAABOIPJZQXEPQ-FYSMJZIKSA-N 438.524 4.550 30 10 IJEE CCN(Cc1ccccc1)C1=C(Sc2ccccc2)C(=O)N(c2cccc(C#N)c2)C1=O 526680083 GPTFOPXECJGBCM-UHFFFAOYSA-N 439.540 4.957 30 10 IJEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccc2O)cc1 526822432 KDRTVPBXAQAGBN-PKAZHMFMSA-N 439.544 4.815 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(C(=O)OC)c2)cc1 526826611 YITKXPYSOYMQIV-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=CCCCN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 564269383 OALRKVNTWKYUNU-UHFFFAOYSA-N 427.353 4.832 30 10 IJEE C=CCn1c(SCC(=O)c2ccnc(C(F)(F)F)c2)nnc1-c1ccccc1OC 582657838 WGOGTIORUPIKCM-UHFFFAOYSA-N 434.443 4.529 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(F)c1 611330435 JJOHLLVOHBYPMJ-UHFFFAOYSA-N 427.308 4.549 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 619352306 VKOMFBCOZBAHEE-UHFFFAOYSA-N 437.547 4.891 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])C1(C#N)CCN(C(=O)OCc2ccccc2)CC1 698960194 FMWPNGMTXYGQAT-UHFFFAOYSA-N 442.520 4.619 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCc2cc(Br)ccc21 700617581 ZSIPBEVSWAYTIB-NRFANRHFSA-N 436.394 4.693 30 10 IJEE CCCN[C@@H](CC#CC(C)(C)C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702472610 UPSKJTLMOLMMBA-GOTSBHOMSA-N 429.649 4.820 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1cc(Br)ccc1F)C2 712726741 MZEYANVYOVNFCK-HOTGVXAUSA-N 426.326 4.878 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)C1CCC(NC(=O)CC2CCCC2)CC1 735348598 DMYHCYFFCVMHIG-UHFFFAOYSA-N 432.948 4.541 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1cc(F)ccc1F)[n+]1cc(O)cc(Cl)c1 738005810 AKNSBMBAYNUTMR-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCc3cccc(CN4CCCC4)c3)c2)s1 740029430 FXOAJAHKAJCUCJ-UHFFFAOYSA-N 430.577 4.882 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2nncs2)cc1)[C@H]1C[C@H]1c1ccccc1Cl 751133493 AUZQQKQJUPOLQP-SJORKVTESA-N 447.973 4.584 30 10 IJEE CC(=NOCc1ccc(F)cc1)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 758145244 VXDMUKUDSWMIQM-HSZRJFAPSA-N 446.482 4.528 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)OCc2cc(Cl)ccc2OCC#N)c1 772113382 YMYSNEADKIJLCT-UHFFFAOYSA-N 430.888 4.875 30 10 IJEE N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 774300617 GDEVNTDXXUCLPI-CQSZACIVSA-N 436.336 4.746 30 10 IJEE Brc1cc(C=NNc2ccc3ccccc3n2)oc1I 1084163597 QYABPQJATQVLLZ-UHFFFAOYSA-N 442.054 4.641 30 10 IJEE Cc1c(N=Cc2cc([N+](=O)[O-])ccc2N2CC[C@@H](C)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C 1084641144 BEVZORAWSZHCSW-MSOLQXFVSA-N 447.539 4.768 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c(OC)c1 1124175718 JLCCTQNKYVCEEE-UHFFFAOYSA-N 427.298 4.900 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(Cl)c(Br)cc2OC)c1 1126253066 GANPLRPMCIYUHN-ZDUSSCGKSA-N 437.721 4.722 30 10 IJEE N#Cc1nc(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)ccc1Br 1130237170 GGZABZLWDNEJQC-UHFFFAOYSA-N 445.704 4.607 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(F)c(C(=O)OC)c2Cl)CCCN1C(=O)OC(C)(C)C 1133756802 SFSHGAFVSDLLDB-OAQYLSRUSA-N 440.899 4.550 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC 1136574723 ZVRUTOWRPSBIMT-ROFLEHJCSA-N 440.971 4.878 30 10 IJEE C#CCN(C(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1158447731 MWYLKZWNIHKSNP-DEOSSOPVSA-N 448.950 4.661 30 10 IJEE N#Cc1ccc(Br)c(OCc2nc(-c3cccc(Br)c3)no2)c1 1166650351 BQETUDRMZHIHGS-UHFFFAOYSA-N 435.075 4.712 30 10 IJEE CCSc1ccc(Cl)cc1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1200231885 CIEXRZWBDFCRMF-QGZVFWFLSA-N 428.945 4.641 30 10 IJEE C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@@H]1CNC(=O)OC(C)(C)C 1218288023 GUNMDRCCUNVWPN-AEFFLSMTSA-N 444.576 4.750 30 10 IJEE COc1ccc(C#N)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1264826837 CTHNFROOPMNWOJ-SFHVURJKSA-N 449.429 4.790 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1264919401 SCMOZRVXZYIRMS-KRWDZBQOSA-N 436.483 4.594 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 1267392126 DDIHMGOYLQHDTO-HNNXBMFYSA-N 428.414 4.519 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 1275389218 HHVNZSXKHCMURZ-UHFFFAOYSA-N 435.274 4.962 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccco1)C(C)C 1286315722 NUSSEIPYOMPZFK-UHFFFAOYSA-N 444.377 4.858 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286382573 YOIIVTTWBIXPQI-KDURUIRLSA-N 446.064 4.661 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1286433816 LYIYYNGOKRAKHM-UKILVPOCSA-N 448.611 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(OC)nc1 1286437692 QTCXXBGBJVAZBD-UHFFFAOYSA-N 437.956 4.725 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC=C(C)C1 1286560705 HXFSSZUZACLHRT-YLJYHZDGSA-N 443.389 4.845 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1Cc1cccc(Br)n1 1286760503 NRDKWRFGXRQAJN-UHFFFAOYSA-N 438.373 4.596 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCc2sccc2C)C1 1286811959 HLELXRMVOSOXHB-OAQYLSRUSA-N 438.597 4.559 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286831201 BFFZMRYTQFEOGU-OAQYLSRUSA-N 446.064 4.506 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2ccncc2)cc1 1289870907 CWFYFRBZRJDDIC-XMMPIXPASA-N 432.597 4.647 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 1295281799 XRRSULWMONQVGI-IBGZPJMESA-N 426.561 4.986 30 10 IJEE C=C[C@H](C)ONC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1300210615 JDVBUAFXIJLYTL-KRWDZBQOSA-N 436.581 4.946 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOCC)CCCC1 1300289269 HOCBCEHFNSAFER-HXUWFJFHSA-N 431.584 4.938 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1300417202 PPPFDLGHDVNORZ-XUZZJYLKSA-N 447.652 4.833 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1CC 1300473149 PHYICWBVBOYKMM-IRXDYDNUSA-N 431.378 4.515 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCCC(C)C 1300650055 RMSYKEKRNNUHEA-UHFFFAOYSA-N 425.577 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)C1CCCCC1 1300901576 PJAXYNRWQYGLQK-UHFFFAOYSA-N 449.441 4.703 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCC2(O)CCC2)CC1 1301106408 UIXUHWIILUMEQD-LJQANCHMSA-N 440.588 4.524 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1301186850 KTWWZYGAFUJZOW-UHFFFAOYSA-N 437.636 4.840 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)CC1 1301221614 LYXLMEYDGJGSHD-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1OCCC1(C)C)C1CC1 1301317378 RABBOOZWDPUSIY-LJQANCHMSA-N 445.405 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1301357850 SAGPAVQVKVOFBY-KRWDZBQOSA-N 433.622 4.911 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(OC)C1CC1 1301375197 LJLJCLYASJSMOP-OAQYLSRUSA-N 431.378 4.701 30 10 IJEE Cc1cccc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1304153821 AIGSXKYIYRAZQN-GOSISDBHSA-N 444.583 4.514 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1306268760 GWNVXJCNALKWBT-OXQOHEQNSA-N 436.947 4.569 30 10 IJEE CC(=O)[C@@](C#N)(CCSc1nc2cc3ccccc3cc2c(=O)n1C)c1ccccc1 1307274701 UAHGEZJUNHCJBY-VWLOTQADSA-N 427.529 4.619 30 10 IJEE CN(C)C(=O)NCCc1ccc(NCc2cccc(OCc3ccccc3C#N)c2)cc1 1308485982 FJFMHVXFHUIBKN-UHFFFAOYSA-N 428.536 4.563 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)cc1C#N 1310458454 GSVSDWVDSRIGPB-SFHVURJKSA-N 444.532 4.635 30 10 IJEE CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C12CCCCC2 1310465708 CSGGUJRNGICQRA-PMACEKPBSA-N 441.963 4.989 30 10 IJEE CC(C)(CC#N)CNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1311358291 AORZXCUUZVPNPR-LJQANCHMSA-N 431.005 4.740 30 10 IJEE C=CCC[C@@H](NC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F)c1ccccc1 1312333989 GCVBSOJJFQTPCJ-RBUKOAKNSA-N 431.458 4.513 30 10 IJEE C=CCN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1nc(-c2ccccc2)cs1 1348497268 ORDMVGKESSHCER-AEFFLSMTSA-N 427.570 4.975 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC1CC(OC(C)(C)C)C1 1358891409 FYSMPDZBUQWDMQ-WWDZGPRUSA-N 430.543 4.589 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1358905539 CUGPOHSOCGUSAP-QHCPKHFHSA-N 431.584 4.857 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1nccs1 1358987236 XRYAHTKEIWYEGW-GOSISDBHSA-N 440.576 4.525 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1359023064 XTOXWULXAJDQKE-XUTJKUGGSA-N 435.959 4.507 30 10 IJEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(Cc1cccs1)Cc1cccs1 1359062351 FBLXXLSRHYVGEE-LJQANCHMSA-N 444.651 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1359111165 QTLGRBQIBVKODD-NZQKXSOJSA-N 432.572 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1359183900 XICBBYYKNNPLNV-LJQANCHMSA-N 428.556 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C 1359185201 OJALZLZNSBMETC-CQSZACIVSA-N 436.387 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](OCC(C)C)C1 1359186572 KWIBGQGUTRIXJE-QHCPKHFHSA-N 448.615 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1359268209 IEFBVSIKILWOFQ-UHFFFAOYSA-N 445.567 4.699 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1 1435622617 TWSIRIIYVJNXPA-TZIWHRDSSA-N 430.470 4.878 30 10 IJEE C#CCOc1ccc(COC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1435848141 PWKXVVHCDGASBO-AUSIDOKSSA-N 443.902 4.533 30 10 IJEE N#C[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1436647640 CAFORDLAHIWUCW-OXQOHEQNSA-N 441.325 4.869 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)c1ccccc1 1439951038 MDBHKMZEJHJUPR-GDLZYMKVSA-N 428.945 4.897 30 10 IJEE C=C(CCN(C)C)C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1441462598 GHVJUQSDGDPZQH-QHCPKHFHSA-N 425.642 4.595 30 10 IJEE CCN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)[C@@H]1CCN(c2ccccc2)C1=O 1456101756 FRFITABTHMFEFI-XMMPIXPASA-N 439.515 4.927 30 10 IJEE N#Cc1cc(Br)ccc1CSc1ccc(S(=O)(=O)C(F)(F)F)cc1 1458980352 IEZXHFRTJXDMAE-UHFFFAOYSA-N 436.274 4.907 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1464257017 JZZHVQBLOVYJAU-VWLOTQADSA-N 430.564 4.953 30 10 IJEE C=CCC[C@H](C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1)c1ccccc1 1464374963 GKLGOGUXYHSVNR-OFNKIYASSA-N 430.552 4.692 30 10 IJEE C=CCC[C@H](NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)C(=O)OCC 1468125704 OOCOVVWDCGRSLB-INIZCTEOSA-N 431.945 4.677 30 10 IJEE CC(C)(C)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(Cl)cc1 1468961699 AHVXEXQXXUOUMA-NEWSRXKRSA-N 448.995 4.876 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 1470340124 OYFLICXGJLQKKW-UHFFFAOYSA-N 436.339 4.728 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cccc(N2CCN(C(C)C)CC2)c1 1474101446 XZVVCYMYJMVNEE-UHFFFAOYSA-N 442.401 4.604 30 10 IJEE C#CCN(C)CCCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 1477853486 KLMGDKIWFCILON-OAQYLSRUSA-N 436.358 4.671 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC(C)C)nc1 1507521071 KEZWXLCBYRMRRR-QZTJIDSGSA-N 449.624 4.820 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@@H](C)C1 1507795187 HFVBUPZHZRRUST-WPYKKVEZSA-N 438.616 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CCC1 1507803205 FGHMJIDRFKNIMM-KPLVRAHFSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507814889 OZNSSLSSQNZLHT-PZJWPPBQSA-N 427.549 4.707 30 10 IJEE C=C(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C1)c1ccccc1 1507850124 CNGMCEBYGQCNBQ-RXVVDRJESA-N 437.588 4.910 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2scnc2C)CC1 1507880870 NLYHNKBCXQWHRD-UHFFFAOYSA-N 444.402 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1507911572 MYBVCNZARQIJEJ-AZUAARDMSA-N 441.620 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCCN(c2nccs2)CC1 1507913324 XTLWNHQMAQLXCK-UHFFFAOYSA-N 440.592 4.860 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1507931925 ITBXFTRGNSCJKG-FXAWDEMLSA-N 443.567 4.790 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507953792 MDQRAAVZEAJQPY-HSALFYBXSA-N 429.609 4.784 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCCc1c[nH]nc1C)C1CC1 1507987970 GMUAHLPFBBNMNL-UHFFFAOYSA-N 441.377 4.527 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 1507988125 IZXJDJFRTZQELG-KSSFIOAISA-N 449.418 4.905 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](F)c1ccc(Br)cc1)C1CC1 1507993063 ACUCSGPINNRFKX-KRWDZBQOSA-N 430.325 4.901 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1508005868 ZOPYVIHATWXFFY-SFHVURJKSA-N 445.583 4.989 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1508050670 JYGJGSVFNJBGFZ-INIZCTEOSA-N 436.869 4.841 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(N(CC)CC)CC2)cc1 1508100318 IKYKDYVEDXFJHC-UHFFFAOYSA-N 439.648 4.790 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 1517011111 UHLBZLRNMOEIMV-UGKGYDQZSA-N 426.944 4.922 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 1522842844 HXXCCGDZWBGDSY-YWZLYKJASA-N 427.342 4.616 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(F)ccc1I 1524185250 BXHSWCWVGONXKM-UHFFFAOYSA-N 435.689 4.974 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 1525880236 BSQVBSVVUQVWHZ-SFHVURJKSA-N 448.425 4.725 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCCN1C(=O)OC(C)(C)C 1527252283 RNLUKCWCHGSGHD-VGOFRKELSA-N 434.989 4.786 30 10 IJEE CCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1532341168 CBGAGOLCEBKXSY-GOSISDBHSA-N 441.915 4.745 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cccc(Br)c1F 1532513608 LZUYZUWIKXJNPX-AWEZNQCLSA-N 428.302 4.504 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(c2ccc(C)c(F)c2)C2CCOCC2)cc1OC 1534869540 GBAMCWHVALYGCC-YFHOEESVSA-N 425.500 4.933 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1539391632 GLPWWRDJIRNCKG-MJGOQNOKSA-N 438.469 4.887 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@H](C(C)(C)C)C1 1539525998 AXVWSPIGYDQAIA-FQEVSTJZSA-N 426.630 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1539616963 SVWJZCCWDFBMHB-UQAQOTMJSA-N 438.616 4.913 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](C)O[C@H](c3ccsc3)C2)nnc1C(C)(C)C 1539640801 JRJFRULFLMHZDQ-HNJRGHQBSA-N 430.618 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CC1CCN(Cc2ccccc2)CC1 1539665946 KUIBLKJZNPJPMC-UHFFFAOYSA-N 444.627 4.963 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1539735329 NBDORKBDLXPMGX-HNNXBMFYSA-N 439.387 4.848 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc3ccccc3s2)CC1 1539874465 MZHOFIPJLUCUIE-QGZVFWFLSA-N 426.586 4.668 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1539982201 RGVXMPUAXJHUBZ-LJQANCHMSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(c2nc(C)no2)CC1 1540013166 LOYLAUZGPVLCRZ-UHFFFAOYSA-N 436.560 4.516 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2ccccc2OC)nnc1[C@]1(OC(C)C)CCOC1 1540022034 ZKWPWQRCLYZRBR-OFVILXPXSA-N 440.588 4.635 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@H]1C(=C)C 1540129677 WWIXTMQWXGBTJO-VWNXMTODSA-N 433.600 4.912 30 10 IJEE C=CCSCCn1c(N2CCc3ccc(Br)cc3C2)nnc1C(C)(C)C 1540922542 QQDUALIRMVYBII-UHFFFAOYSA-N 435.435 4.820 30 10 IJEE C=C(CCC(=O)OC)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1542246048 WKQFXJJCJLGKPO-UHFFFAOYSA-N 432.354 4.585 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)Nc3nnc(-c4ccc(C(F)(F)F)cc4)s3)n2)c1 1543973718 DMXOXDDXFXYOFU-UHFFFAOYSA-N 440.410 4.534 30 10 IJEE N#CCCN(CC1CC1)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccco1 1555995088 AQLOESQZJPHIDI-UHFFFAOYSA-N 427.961 4.995 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1557476201 ZWFSANNJBROECR-UWJYYQICSA-N 430.545 4.800 30 10 IJEE C=C1CCC(CNC(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)CC1 1558260175 KPRZEHTXVDOFCW-SFHVURJKSA-N 429.413 4.708 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1cccc(OC)c1 1559381529 WQWUZZWIYYZVLA-HXUWFJFHSA-N 438.528 4.567 30 10 IJEE Fc1ccc(-n2cc(CN3CCC[C@@H](C(F)(F)F)[C@H]3C(F)(F)F)nn2)cc1Cl 1560835837 AQRRZIYDJUFPJD-RISCZKNCSA-N 430.755 4.765 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3)c3ccccc32)cc1 1562197530 NPUCQHYZJXOBJS-HSZRJFAPSA-N 447.560 4.677 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc(Br)ccc2Br)cc1 1587057544 MHXMJFPZCGSGTE-UHFFFAOYSA-N 425.120 4.706 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1587373780 OASVPGFCPZPBCT-CQSZACIVSA-N 438.368 4.969 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1587562401 OSRLYRPVWFSYCU-IRFCIJBXSA-N 439.604 4.533 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C(C)(C)O)c1 1587579048 CIQADDFUBVNTEN-QZTJIDSGSA-N 448.636 4.865 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1587724117 ZYCISTBZPVUTMV-OAQYLSRUSA-N 430.955 4.937 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(c2ncc(C)s2)CC1 1587778045 ZSLHFMUYKOUHHQ-UHFFFAOYSA-N 425.627 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)C/C(C)=C/c1ccccc1 1589559423 RCOZGUVVPITAHH-NDBHTWKNSA-N 443.595 4.785 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1594473363 QYZJRXCTIZANBQ-IBGZPJMESA-N 439.585 4.590 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1594477730 INGQQKMYOQSHFR-GOSISDBHSA-N 438.551 4.837 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1594590958 GPMQWWLDZSEMGY-NRFANRHFSA-N 446.599 4.591 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N[C@H](C)CC)C1CC1 1595033192 DHWMQOKNJACTGE-IAGOWNOFSA-N 441.645 4.591 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 1595065034 HCPMWRJDXWQEDE-RBBKRZOGSA-N 438.616 4.995 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1OCC[C@H]1C 1595266163 BHBHGBVWJMJYHF-NVXWUHKLSA-N 447.004 4.877 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)C(=O)OC 1596245062 SZVCUDHGJHNOLU-SFHVURJKSA-N 445.972 4.736 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1603639771 SIOHZYLPYGXLDW-QHCPKHFHSA-N 438.593 4.766 30 10 IJEE CC1=NN(C(=S)Nc2ccc(C)cc2C)C(=O)/C1=N\Nc1cccc(C(F)(F)F)c1 1615949915 RHEYLIDPXJQXDA-ONUIUJJFSA-N 433.459 4.705 30 10 IJEE CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)cc(Br)c1 1621707075 HUFJKEJQCKFBFG-UHFFFAOYSA-N 427.751 4.825 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 1625226994 ODKVHRFZHZGLJL-OAQYLSRUSA-N 443.588 4.681 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 1627412649 OTCLNIBHHPRCDP-FQEVSTJZSA-N 430.504 4.788 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1629024944 BUQPIGOOYYRMKF-ZLNRFVROSA-N 438.568 4.827 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2n[nH]c(C)c2-c2cccc(Br)c2)cc1 1629588432 ZJXIGZTWTRGXLS-UHFFFAOYSA-N 426.314 4.894 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 1634415776 QNMKHKQAVBEXNN-CVEARBPZSA-N 442.478 4.836 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)CCCC1 1636901742 JBBAIILFSFXAKD-UHFFFAOYSA-N 437.506 4.586 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21)C(=O)OC(C)(C)C 1636974867 RTEXOKOLOYYTSH-ZCYQVOJMSA-N 432.564 4.834 30 10 IJEE C#CCCCNC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1640141583 RNRVQZQKTWFXQG-OAQYLSRUSA-N 444.575 4.957 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 1646624048 JJFAPJREZYIJJC-PMERELPUSA-N 446.598 4.544 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 1652967080 KUMXVBZRLXZOPO-UHFFFAOYSA-N 437.883 4.721 30 10 IJEE CC(C)c1sc(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)nc1-c1ccccc1 1655732398 AAAOKWYSQGUVGE-OAQYLSRUSA-N 446.576 4.817 30 10 IJEE CN(C[C@H]1CCCCN1c1ccc(C#N)c(Br)c1F)C(=O)OC(C)(C)C 1655808185 DSXBEOCATYAICI-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C=C(C)COc1cc(CNC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)ccc1OC 1656672298 SBMMUOXDRCBCPQ-HXUWFJFHSA-N 429.866 4.843 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1OC 1657279564 BAOBDMNLJMEBMA-SFTDATJTSA-N 434.374 4.870 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1OC 1660610838 PVXUGVPEGBMJGQ-QGZVFWFLSA-N 443.975 4.630 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)C1 1662185617 QQDOAVLONZKIPJ-LJQANCHMSA-N 427.570 4.924 30 10 IJEE CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1cc(F)cc(Br)c1 1663440709 AYULJLWQCQKHMC-OAHLLOKOSA-N 431.714 4.543 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Br)cc1 1664546860 SLAYSCCHYUIWHV-LJQANCHMSA-N 434.399 4.964 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc1 1667589120 GDSKQAOMQTVVHG-AWEZNQCLSA-N 436.339 4.840 30 10 IJEE COc1cc(C#N)ccc1NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1669952832 CLJCIWCSOJHWGC-NRFANRHFSA-N 432.549 4.549 30 10 IJEE C#CCOc1ccccc1NC(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 1670866381 JVDCTYBCZKMHFP-UHFFFAOYSA-N 437.540 4.648 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2cccs2)C(CC)CC)cc1 1673393799 SQXBNWZVJUAFFQ-HXUWFJFHSA-N 435.615 4.854 30 10 IJEE C[C@@](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)(c1ccccc1)C(F)(F)F 1673409136 FKYDTQRLAWNQKD-HXUWFJFHSA-N 436.865 4.521 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 1676328476 SSMRTIRQCAQAFS-NRFANRHFSA-N 425.960 4.843 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1)c1ccc(Cl)cc1F 1679007003 GRUDFNJMAANLTA-KZULUSFZSA-N 430.842 4.711 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2n1 1680698175 CBXXTYXSGXYYFR-IBGZPJMESA-N 429.565 4.625 30 10 IJEE C#CCOc1ccc(CNC(=O)N(CCCN(C)C)Cc2ccc(Cl)c(Cl)c2)cc1 1682559918 JGXKLYVLOYKQKP-UHFFFAOYSA-N 448.394 4.669 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NC/C=C/c2ccc(Br)cc2)c1 1684601848 AMKCOLLPGHPWNC-OQBYNLHGSA-N 428.330 4.643 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 1684924858 ZNNUXUHMPYPDMM-QFIPXVFZSA-N 438.572 4.625 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1F 1686922198 CJBNUCQHAYHWMW-IRXDYDNUSA-N 429.706 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1csc(C(C)C)n1 1689829307 XENHSAWFUZYYJQ-IAGOWNOFSA-N 441.576 4.838 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(SC)CCOCC1 1689948988 MMEBCFCQXRDHNK-UHFFFAOYSA-N 447.029 4.795 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(CC)(CC)OC 1690065146 MYWNFEDRIMITJC-UHFFFAOYSA-N 433.394 4.681 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1690445213 SZMUARHCEDQLSC-LJQANCHMSA-N 445.596 4.750 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN(C)[C@H](C)CC)C1CC1 1690539093 UYAGCUNSJSYGHB-MRXNPFEDSA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN1CC 1690558050 CLLIUKVQEMMCCW-HSZRJFAPSA-N 444.583 4.785 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](F)COC 1690586024 DMSNCQGYFQZVBU-AWEZNQCLSA-N 443.748 4.524 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(C(C)C)CC1 1690613797 UFFFERJFAAGYTM-UHFFFAOYSA-N 433.394 4.783 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1691164220 DJSGEZHDIRAPGF-KCWPFWIISA-N 448.659 4.561 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OC(C)C)CC2)o1 1695138760 HUNJPMZAPGBSFC-UHFFFAOYSA-N 448.571 4.508 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CC(F)(F)C1 1696689069 DZIPXHNQMQURNR-WOJBJXKFSA-N 443.542 4.750 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1sccc1Br 1697549036 AVVSPJDCXMATFY-ZDUSSCGKSA-N 446.374 4.564 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1F 1705527340 VDBZIKAEAFSYMB-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@H](C)C1 1705604216 HYCDGFBCZJVBJG-AABGKKOBSA-N 445.007 4.963 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1705722142 WLGGPTSBPJNAAY-SFHVURJKSA-N 437.544 4.521 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705745109 AITSFSRDCGQXSL-LEWJYISDSA-N 439.995 4.622 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2nccn2C(F)F)CC1 1705766098 MPVPFQMAZJJKGA-UHFFFAOYSA-N 449.303 4.504 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCCCC2)CC1 1705772668 YFNULSYWOPPWHI-UHFFFAOYSA-N 432.037 4.866 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1705779836 ZHCJJYZLNQBFBP-NRFANRHFSA-N 432.616 4.597 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CC)CC1 1705784993 RMLRTAJQVXBFGA-NRFANRHFSA-N 439.387 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1705789595 PXUUTHXEGGPULC-UHFFFAOYSA-N 448.590 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(c2cnn(C)c2)CC1 1705794212 ZDBAWFYYDIVDJF-UHFFFAOYSA-N 432.616 4.783 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@H](F)C1)C1CC1 1705854483 KWTPZTWVNAQVNC-OTWHNJEPSA-N 447.599 4.686 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)NC(C)(C)C 1705870960 RZJAALXQGFOENO-KRWDZBQOSA-N 441.645 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CCNc1ncc(Cl)cc1Cl 1705871568 ORJAHRRBYQVGNA-UHFFFAOYSA-N 433.343 4.839 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1CCC[C@@H](C)C1 1705876538 ACUYYAGCYIALKW-JOCHJYFZSA-N 446.643 4.970 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705942718 BFLVWDUQQIIFJM-SFHVURJKSA-N 442.658 4.660 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1705948043 GKXLQTJZVYRNOM-LJQANCHMSA-N 436.984 4.520 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C(C)(C)O)cc1 1722346426 PVTXITAXHQAFRD-UHFFFAOYSA-N 434.609 4.621 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722404308 YNGFPFUQECPDOX-IBGZPJMESA-N 445.995 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC[C@H](OCC)C(C)C 1722404944 HMXPSWNIMGWCFI-IBGZPJMESA-N 433.394 4.618 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCSC(CC)(CC)C1 1722466056 YJAANQCPXOCRDX-UHFFFAOYSA-N 444.670 4.644 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC1(OC)CCC1 1722466818 GCGHBUDLOBWPRB-SQJMNOBHSA-N 436.600 4.986 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@H](SC)C1)c1ccccc1 1722539055 FEPWRSWEBDYJPU-NRFANRHFSA-N 441.645 4.632 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1722594264 IKFUAKLHYGSJQR-HXUWFJFHSA-N 433.522 4.590 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1722617644 OGSWXOBSLCWYED-RDGATRHJSA-N 431.584 4.834 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1CC[C@](C)(CC)O1 1722655676 PPLABAQMIVHEKC-GJZUVCINSA-N 442.567 4.752 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCC[C@H]2CC)C1 1722713452 BOBGJVXZCNJJOS-UXHICEINSA-N 444.023 4.644 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2CCOC(C)C)c1C 1724063486 HPFWYIKQAWKVCX-HXUWFJFHSA-N 425.577 4.590 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CCOc2ccccc2Cl)o1 1724295980 DTQQIHTUYFUJLW-UHFFFAOYSA-N 425.920 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCC(C)CC1 1740534912 KVPTYECWJGKSDL-PMACEKPBSA-N 444.023 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1ncc(C)s1 1740544414 CVSUJJINGGEUDC-KBPBESRZSA-N 444.402 4.734 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740581913 HHMBUUVECIEKNG-IBGZPJMESA-N 449.555 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCC1(OC)CCC1 1740729444 HEPOXEJCEOESJP-OAQYLSRUSA-N 443.389 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1(OC)CCCCC1 1740734595 JQRSPSIGNUARFH-RUZDIDTESA-N 436.600 4.761 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](COC)OC 1740768856 OTALMRURAFDBAG-HNNXBMFYSA-N 434.993 4.877 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2cccc(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 1740817069 UGWUONCGAUQJQD-NFBKMPQASA-N 430.980 4.721 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1740862325 PUEYOQIJAXBEAT-GOSISDBHSA-N 442.995 4.805 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1740870037 HQLQEGDHVCGOAV-IBGZPJMESA-N 445.405 4.927 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1740881107 XIJJMUAJLXCHAW-XMSQKQJNSA-N 439.604 4.755 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1nc(C)cs1)C1CC1 1740912993 ADQHCBNLAAGDGS-KFKAGJAMSA-N 429.634 4.920 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CCC1CCN(CC(F)(F)F)CC1 1740927287 CZZCSPPEIWKIBD-UHFFFAOYSA-N 437.510 4.689 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C)CCCC1 1748685417 ZRXUZAKYZAIXRO-INIZCTEOSA-N 431.378 4.658 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1c(C)noc1C 1748698231 FCLTUJRVJKAMIL-SFHVURJKSA-N 425.508 4.602 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1748779825 WRHLEMLKGWQJJV-OXQOHEQNSA-N 430.980 4.518 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)S[C@H](C)C1 1749091628 BEIFWBQKJTWOKB-HUUCEWRRSA-N 444.402 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCOCC1 1749123746 IAGLQPXCXAFWCX-UWJYYQICSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(Cl)c1 1749133766 PZESQLDFHDVVRL-REWPJTCUSA-N 437.975 4.535 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H](C)CC 1749215782 FJKSXGXWIGBWDJ-HNNXBMFYSA-N 439.373 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1749368564 MESGOZDHYNBIKL-OAQYLSRUSA-N 426.580 4.863 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1 1749439969 OMMPLKSUAXKPFY-BZSNNMDCSA-N 435.638 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1ccccc1C(C)C 1749467507 RADQWSDXIKGQQR-UHFFFAOYSA-N 444.377 4.860 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1749474007 IGHBDYXNYQTZCV-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCO[C@H]1C(C)C 1749528310 LEMJGWSKZXBTMR-UNMCSNQZSA-N 426.605 4.838 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1760121681 DJEGELLJAZUFCH-IPJUCJBFSA-N 445.489 4.555 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)Cc1cnn(C)c1 1760132464 IWKWSCWJBVQRPK-UHFFFAOYSA-N 436.629 4.839 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1760133061 UUGQBUZXOKNQKK-DHIUTWEWSA-N 449.643 4.848 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@H]1CC 1760234714 RKEBOTKGAOAOBN-NJDAHSKKSA-N 443.636 4.678 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC1CCC1 1760319713 PNSHIDVHRHIPET-NFBKMPQASA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCCOc2ccc(F)cc2)nnc1C(C)(C)C 1760328158 RKVSBTSXHIXTST-RXVVDRJESA-N 430.568 4.601 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1760424991 AZVMILNQWYIBDI-UHFFFAOYSA-N 445.970 4.657 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@H](C)C1 1760441159 ZIDKXEUBSZCAMS-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@@H]1C(C)C)C1CC1 1760471322 SBAVDVPAYYLBEL-NJNPRVFISA-N 428.552 4.773 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCc1sc(C)nc1C 1760479769 AENHKCMCIRNWTI-UHFFFAOYSA-N 432.597 4.611 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@H](C)N1CCC(C)CC1 1760484799 KUWQEQBYQZAHOZ-NRFANRHFSA-N 427.612 4.929 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1cccs1)N1CCCC1 1760494603 PRZIJIBHLPUQGL-OAQYLSRUSA-N 434.613 4.726 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1cscc1C 1760501396 ORCZWXYQWYARKH-UHFFFAOYSA-N 439.610 4.880 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)N(CC)CC)C1 1760539439 OHULQZGRANXGLO-NZQKXSOJSA-N 439.648 4.754 30 10 IJEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C1CC1 1763894397 CJTUXMFAWRJTEO-GOSISDBHSA-N 434.613 4.778 30 10 IJEE CO[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 1769640787 APJRRKGTOPMXIL-REWPJTCUSA-N 436.947 4.511 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@H]1CCCC[C@H]1C 1771449974 GIVBLMLDQPIILC-DXIQSLLYSA-N 441.645 4.990 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 1862442355 RMRMYERHJLXMMD-NRFANRHFSA-N 426.944 4.650 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1O 1862481089 WOGFPYJSTHOUSJ-ZDWFVDTJSA-N 435.520 4.866 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862483433 AACDCKVDSCVJLR-LJQANCHMSA-N 429.900 4.741 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862535324 YMQWUTJEWFDCOH-DEOSSOPVSA-N 442.515 4.821 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 1862544968 PCCNEMFTFNAXCK-HSZRJFAPSA-N 437.511 4.709 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)ccc1O 1862655761 PAFHSDOPVHMDQP-QHCPKHFHSA-N 429.472 4.685 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862674341 MEEKIGZYPCCBNG-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Br)c1 1862680611 GNRBANHGALCLJD-KZULUSFZSA-N 432.289 4.965 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1C(=O)O 1862714532 KYZNUXURAXWTFY-NYHFZMIOSA-N 429.472 4.915 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862879927 MMUXBMMRFDQUIZ-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(F)cc2F)C1=O 1863656964 CYSOAPSHDVZISB-LJQANCHMSA-N 448.554 4.954 30 10 IJEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(Cc2cccc(C)c2)C1=O 1863708696 RYRCLYRATMDVKI-UHFFFAOYSA-N 438.527 4.630 30 10 IJEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c1 1870105821 JQAVTIWQALKLLA-UHFFFAOYSA-N 437.931 4.574 30 10 IJEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CSc1ncccn1 1870266636 HUCDAZOYCCZQKW-UHFFFAOYSA-N 447.601 4.623 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccccc1C(C)C 1871029074 FXXLWORCJBVAAE-UHFFFAOYSA-N 426.557 4.738 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1ccccc1C 1871190342 BVGSODJVASBOPK-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 1871377505 OCKRFCJZRNSSLN-RQXPBMLRSA-N 443.411 4.838 30 10 IJEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871393568 WRCOKBDTEFQPCH-CFRMEGHHSA-N 444.531 4.991 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871407543 OGKPJWCRLNBOHD-VRHSPDTKSA-N 433.435 4.857 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871792842 RWTBAZBXVVLLOV-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871911588 RCNQBMXEYKLUHC-IIBYNOLFSA-N 434.627 4.985 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872070362 SOQDIOWDKNMTLK-NRFANRHFSA-N 432.561 4.735 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)CCC 1872218604 OZCYOMQPFKMKIG-FQEVSTJZSA-N 440.675 4.662 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777560 QLQKYFNRKROMHN-VEGGFIAOSA-N 427.485 4.968 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c([N+](=O)[O-])cc1OC 1872787206 DOCVQGSNDNJENL-JTQLQIEISA-N 449.897 4.940 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(O)c(OC)c1 1874299992 CLPXOCLSZXYFTD-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCc2cccc(OC)c2)nnc1SCC=C 1874310890 SMXSCPOPZRDQSM-XIEYBQDHSA-N 434.565 4.797 30 10 IJEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccncc2)c1 1874317534 YJYCRVTXINJOMW-WPWMEQJKSA-N 447.539 4.998 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(C)c1 1874360603 OETZDWGEXAKPRL-MFKUBSTISA-N 436.581 4.722 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)c1 1874420609 UUEHPDITSPQWHM-OEAKJJBVSA-N 449.561 4.628 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2-c2cccs2)cc1 1874424715 ZMUWZJNSBOOHEY-WSDLNYQXSA-N 428.583 4.743 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccco2)cc1C 1874425969 KJBFHHBTVFDBQO-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OCCC 1874457807 IWXPXZMBJLMYFN-HZHRSRAPSA-N 430.574 4.652 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1sccc1C 1874477488 CCEVQPJKHMWJMX-LPYMAVHISA-N 427.599 4.912 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cccc(OC)c1 1874510368 PCNSKXHBJRMMQE-ZVHZXABRSA-N 437.569 4.586 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCCO)c(OCC)c2)cc1 1874617083 JBWGEVUKGDCNND-BJMVGYQFSA-N 449.341 4.904 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OCC(=O)OC 1874633242 SMHQBIABGAOLCZ-VQHVLOKHSA-N 447.325 4.913 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875142119 LVQUUYZEIDEOET-QPJJXVBHSA-N 441.333 4.805 30 10 IJEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)C3=NNC(=O)CC3)c(Cl)c2)c1C 1875168896 ZMASZDAPEKLJRH-VMPITWQZSA-N 438.911 4.641 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H](C)Oc3ccccc3Cl)cc21 1890683048 DTNYVIAJNDMRJZ-HNNXBMFYSA-N 428.916 4.684 30 10 IJEE CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2cccc(F)c2)C1 1891124564 GBZIRIBTOAXPFK-KRWDZBQOSA-N 434.355 4.992 30 10 IJEE CC1(C)OB(c2cc(F)ccc2CN2CC[C@@]2(C)CCOCc2ccccc2)OC1(C)C 1892547146 SPIXFVRNCYPMQV-SANMLTNESA-N 439.380 4.696 30 10 IJEE C[C@@H]1[C@@H](C)[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1903272068 KTNMGOUQLLSKQF-LPMFXHHGSA-N 435.487 4.714 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922073961 JDVMJVVJODOVEQ-RCZVLFRGSA-N 426.557 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2001937507 HIKVFDJJGUZAER-IIBYNOLFSA-N 436.557 4.996 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H]2CNC(=O)OC(C)(C)C)c1 2006111426 GCJKLCTYYJNTHF-HJPURHCSSA-N 431.533 4.634 30 10 IJEE C[C@H]1CC[C@]2(CSC(=NCC3(N(Cc4ccccc4)Cc4ccccc4)COC3)N2)C1 2018689314 WKRDITHJBXTTEZ-SQJMNOBHSA-N 435.637 4.709 30 10 IJEE CN(Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1 2049384195 NDZXHHHGXKRKHP-UHFFFAOYSA-N 449.278 4.773 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)cc2)OC1(C)C 2159214488 IBCMNOKOTZAUSV-ITHGVDGZSA-N 446.444 4.519 30 10 IJEE CC1(C)OB(c2cnc(N3CCC[C@@H]3c3ccsc3)c(Br)c2)OC1(C)C 2172777002 WTNRJPMJUKIUKV-MRXNPFEDSA-N 435.196 4.546 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1N(c2cc(Br)cc(F)c2C#N)CCCC1(C)C 2184383825 ZITWNIHXSPOCIS-KRWDZBQOSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1cccc(Br)c1C#N 2226200553 DCGXIDNNFDRXBA-GFCCVEGCSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)N(CCCO)[C@@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228089600 UBZFVDAMJUKOJS-AWEZNQCLSA-N 437.256 4.652 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)C#Cc1ccccc1Br)C2 2235719513 AWLPETHNZWXINJ-UHFFFAOYSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CC(=O)C#Cc2ccccc2Br)cc1 2235728256 MEBWDDDLFFNPHU-UHFFFAOYSA-N 428.326 4.637 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCCN(C(=O)OC(C)(C)C)C[C@H]1C 2262207839 VEFZCTQCMHYFSK-KBMIEXCESA-N 447.572 4.657 30 10 IJEE O[C@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Br)o1 2264119140 IEZOVAPDTYSPRB-LLVKDONJSA-N 434.909 4.652 30 10 IJEE Cc1cc(Nc2ncc(I)cc2Br)cc(C)c1C#N 2265827559 AREUXMBVPDGDIU-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE CC1(C)OB(c2cnc(N[C@@H]3CC[C@@H]3OCc3ccccc3)c(C(F)(F)F)c2)OC1(C)C 2272994880 CNGMQKQFNXEDGF-MOPGFXCFSA-N 448.294 4.559 30 10 IJEE CN[C@@H](C#Cc1ccccc1F)c1cc(Br)ccc1I 2281377389 RDWIZJBHCUCFPU-INIZCTEOSA-N 444.085 4.505 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)CCC12CCC2 2296268726 IGQCZPBXGNXYSO-MJGOQNOKSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@@H](N)C#Cc3ccc(Br)cc3)(C2)C1 2296290268 ATPHTTHKPCSCPC-LQBOVUBWSA-N 433.390 4.555 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccc(Cl)cc1 2296321151 FERMSYRMVBCJOY-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3ccccc3OC)cc2)SC1=S 2297624724 HMJANNURDYBAFE-UHFFFAOYSA-N 441.574 4.930 30 10 IJEE CC1(C)OB(C=C2CCN(Cc3sccc3I)CC2)OC1(C)C 2301019783 PYYCJTKXGDBUSD-UHFFFAOYSA-N 445.175 4.506 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1O 2318574412 KDCNCDWDFUQATH-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)Nc1ccc2c(c1)OCO2 2325182364 OWCUUIDCDFZLBL-UHFFFAOYSA-N 449.846 4.702 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccccc3)ccc2OC)c(OC)c1 2325731070 SVGQXWBZHDOXCT-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1C(=O)O 2325882606 HJJNOBVKQWPESM-UHFFFAOYSA-N 446.532 4.745 30 10 IJEE CCCOc1ccccc1C=Nn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC 2326738919 ISDXZLFSWRRHSH-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(C)n(C)c2ccccc12 2326821193 WSIULVPQXILSJF-UHFFFAOYSA-N 434.525 4.723 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1ccccc1OC 2326828672 PRTXKWSMLSVEIY-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)cc1 2328564714 MSTRZYSVUFREEC-UHFFFAOYSA-N 447.539 4.976 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(F)c1 2330133723 IWXXQWQLUFEASF-QGZVFWFLSA-N 440.544 4.743 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1cccc(F)c1)Nc1ccccc1 2330531811 PLFSZMFSIFXOKW-UHFFFAOYSA-N 437.525 4.759 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)COCCOC 2330752528 LGYFQCGWCDBWIM-UHFFFAOYSA-N 446.927 4.766 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331017835 IOKOXOABCDSCPR-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331080366 OWSZJODIRMXUKP-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1 2331311770 WOYYLGPVKVYBSD-UHFFFAOYSA-N 432.476 4.698 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccccn1 2331431491 LWHJWONRCLBFGD-UHFFFAOYSA-N 437.835 4.588 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1 2331885352 PSQMCOPVRDSILV-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=C(I)COc1c(CN[C@H](C)CC)ccc(C)c1Br 2352943120 ORJMVEIMAKABEY-GFCCVEGCSA-N 438.147 4.973 30 10 IJEE C[C@@](C#Cc1cccs1)(OCCN)c1cc(Br)c(Br)s1 2363628314 YPKBJGIDUDNNRX-AWEZNQCLSA-N 435.206 4.577 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 3302325 ZWFTVGRIUXHMGL-HZHRSRAPSA-N 429.520 4.527 30 10 IJEE N#CCCn1cc(/C=C/C(=O)Nc2cccc(I)c2)c2ccccc21 15305214 DTSMVZFSUZIQBY-MDZDMXLPSA-N 441.272 4.811 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2ccccc2CC)c(C)n1 32972972 QOIBIUOMXBSXQZ-UHFFFAOYSA-N 446.599 4.628 30 10 IJEE Cc1ccc(C(C)C)c(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3)c2O)c1 38619804 NLRYQDKVIOGDGN-LJQANCHMSA-N 444.531 4.864 30 10 IJEE Cc1ccc(COc2ccccc2/C=C2\S/C(=N/c3nnc(C)s3)N(C)C2=O)cc1 39866099 ZEOAPVPIJIEIAP-POJNRUHKSA-N 436.562 4.968 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 46049797 HYUFSDHXTHSNTP-UHFFFAOYSA-N 431.801 4.693 30 10 IJEE C=CCn1c(SCC(=O)Oc2ccccc2)nnc1-c1ccc(Br)cc1 59832631 YHVBCIRXFMZBJN-UHFFFAOYSA-N 430.327 4.591 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 71944526 HBNKSXYNSLLTPS-UHFFFAOYSA-N 444.510 4.825 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 110339930 ZPPSSGYUOJHKNP-KNQAVFIVSA-N 448.498 4.557 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1C 169905401 KGMKUVGTMCYVSB-LSHDLFTRSA-N 429.369 4.957 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccnc1 170010205 IFDSSFJQKFFTMR-JOCHJYFZSA-N 434.879 4.543 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1 170023854 YAGCQTBYJGBRDV-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170066799 SWTLKNPKBQQRNT-QPPBQGQZSA-N 449.547 4.884 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)cc1C 170130497 LZGIGFYPKSCWEV-QFIPXVFZSA-N 449.528 4.858 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3cccc(C)c3)oc12 170143659 QJNXCLUAQSDJNG-XMSQKQJNSA-N 447.487 4.507 30 10 IJEE CCCOc1cccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 170179708 VZHCIJDGHKELEG-UHFFFAOYSA-N 425.941 4.969 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)c1 170200648 ISNJIKTYLLYQCN-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)c1 170230614 GFOMTIJPGVPOOC-HSZRJFAPSA-N 428.488 4.649 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1F 170248895 MSWMWGIPHLARAT-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)c(OC)c1 170249358 VEFQSRTXPSVUAE-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3cccc(O)c3)ccc2O1 170256980 DLMCRGJITICRJI-RCDICMHDSA-N 447.512 4.556 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1cccc(F)c1 170313582 UWIHAOOSBOKDQE-SFHVURJKSA-N 438.436 4.887 30 10 IJEE N#C[C@@H](C(=O)c1cc(Br)ccc1I)c1ccccc1 225772596 WHHXUMCVHIZVHK-CYBMUJFWSA-N 426.051 4.544 30 10 IJEE CCCCCCNC(=O)c1c(N)n(N=Cc2ccc(C)cc2)c2nc3ccccc3nc12 254309514 PWUSSZFASOERSQ-UHFFFAOYSA-N 428.540 4.667 30 10 IJEE CN1CCC[C@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H]1c1cccs1 438078565 VXINTEHTSAUHGT-YKSBVNFPSA-N 430.577 4.748 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 466285173 DTMFUPYQSQLQOI-OAHLLOKOSA-N 448.317 4.522 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccccc2OCC)CC1 475586452 TWWSABHDTWPIGT-UHFFFAOYSA-N 435.568 4.927 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1coc(-c2ccc(F)cc2)n1 477942613 NPTWZJGGARERGK-UHFFFAOYSA-N 427.549 4.579 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN1CCOCC1 504517397 NEHOOTOVVLNUDJ-SVVSVUQJSA-N 429.601 4.996 30 10 IJEE biogenic CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CC1 504970034 UFXZRCHWEGTJRX-UHFFFAOYSA-N 449.404 4.728 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 549634289 MZOWJTSMNKTVDD-QHCPKHFHSA-N 436.531 4.596 30 10 IJEE COc1ccc(-c2nnc(Sc3nc(C)cc(C#N)n3)n2C2CCCCC2)cc1OC 557484844 DPBBYRPNFABJEO-UHFFFAOYSA-N 436.541 4.589 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 589728043 UGEKOPCPBPUHAN-OAQYLSRUSA-N 425.916 4.885 30 10 IJEE Cc1cccc2c(N3CCC[C@@H](c4n[nH]cc4NC(=O)C4CCCC4)C3)c(C#N)cnc12 619488820 GHQYJKBZUUYRQD-GOSISDBHSA-N 428.540 4.651 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1c1ccc(O)cc1 685551647 QTLWXVMQAIMVMA-IBGZPJMESA-N 425.330 4.941 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C1 698444778 SRLBGCCILVHXKA-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1=S 727431723 XLEBDMRPFNPJQZ-GCJKJVERSA-N 436.581 4.695 30 10 IJEE COc1cc2c(cc1OC)CN(C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CC2 740059172 HOBNBHZGJKWMPL-UHFFFAOYSA-N 433.533 4.572 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1=S 773257517 DTVJVQSSXPCGMO-LEWJYISDSA-N 442.629 4.584 30 10 IJEE C=C(C)CNC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1Cl 783692961 OASDJVUHMUDMCY-UHFFFAOYSA-O 429.871 4.729 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)CCCN1C(=O)OC(C)(C)C 790698161 IELSXIQJXYZZQU-WAIKUNEKSA-N 432.565 4.640 30 10 IJEE Cc1ccc(N=Cc2cc(Br)c(I)o2)c([N+](=O)[O-])c1 1084110619 HKIIGNYRMKGRFY-UHFFFAOYSA-N 435.015 4.614 30 10 IJEE COc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1 1084178027 MDIMDDODPXNWGD-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE COc1ccc(Br)cc1C=NNc1nc(SCCCc2ccccc2)n[nH]1 1084231407 YAILHEIQGURKBC-UHFFFAOYSA-N 446.374 4.747 30 10 IJEE O=[N+]([O-])c1ccc(C=NNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c([N+](=O)[O-])c1 1088676070 XUHSWPNOKOOAKF-UHFFFAOYSA-N 426.204 4.524 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)NCC1(CN2CCOCC2)CCCCC1 1126955428 IFATYFMWKYGYLE-UHFFFAOYSA-N 449.620 4.722 30 10 IJEE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1 1131371202 CLHCEUCIOWRQCZ-BGYRXZFFSA-N 445.563 4.926 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C)c3ccc(Br)cc32)cc1OC 1135010144 RSLUEZKLUGQXMH-UXBLZVDNSA-N 443.341 4.519 30 10 IJEE CC(C)(C)c1ccc(CSCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 1135981887 BTFUDKHZEHPYDF-HSZRJFAPSA-N 439.600 4.765 30 10 IJEE CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1136937306 DMOUMWANRDSJAL-FQEVSTJZSA-N 436.512 4.864 30 10 IJEE Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H](C#N)CCc3ccccc3)c(C(F)(F)F)c2)n1 1142423667 CRIFTUOXOLRRPN-LJQANCHMSA-N 440.469 4.897 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2ccc(Br)cc2C(F)(F)F)c1 1180161674 LOODHFYRTFXJGQ-UHFFFAOYSA-N 425.248 4.520 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 1215445415 SCBLJCVIBFYNMO-QGZVFWFLSA-N 431.330 4.578 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(/C=C\C(=O)OCC)cc1)c1ccc(Br)cc1 1219902480 HLXDEAIGBYUZMN-QFJZGMSHSA-N 427.298 4.521 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC[C@H](c2nnc(S)n2C2CC2)C1)c1ccccc1 1254754299 IPFPRVANKMJXEQ-AZUAARDMSA-N 425.602 4.888 30 10 IJEE N#Cc1cnc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)c(Cl)c1 1265188570 BMQXDEFGJZBQJP-UHFFFAOYSA-N 449.873 4.983 30 10 IJEE CC(=O)N[C@H](CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)c1ccc(C)cc1 1276765988 GOQBYKWLNJRNHT-HRAATJIYSA-N 431.458 4.522 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(OC)cc2C1 1286336734 WKUIFUDVKPSLGO-DHIUTWEWSA-N 436.600 4.572 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286344259 ZALWBDXUINRCPE-RTWAWAEBSA-N 435.597 4.576 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN(C(C)C)C1 1286450699 GCJGXAQQVGYAQF-XZOQPEGZSA-N 437.632 4.615 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1c(C)noc1C 1286456671 SMIZNGARTAYKOT-QGZVFWFLSA-N 444.514 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1Cc1c(C)coc1C 1286520511 NDOBKYVKZQNYJP-JOCHJYFZSA-N 439.357 4.958 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1286554954 ZUUVQWHBNKIVTL-POAQFYNOSA-N 429.996 4.847 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1c1ccco1 1286593588 QCHAYXIIFVSNMS-LJQANCHMSA-N 441.576 4.903 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286631548 PBLIUSNWERYUMC-GOSISDBHSA-N 436.915 4.539 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCn2ccnc2C)CC1 1286637771 MJUQIHWCANTCJZ-NRFANRHFSA-N 434.588 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1286673575 WWHFONRWHWSFPP-UHFFFAOYSA-N 429.490 4.920 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC=C(Br)C1 1286706617 RMEWRSFOOHSBBL-HXUWFJFHSA-N 445.405 4.902 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2CC)C1 1286813794 CAXCJJXVFOTPFS-YTFSRNRJSA-N 438.616 4.589 30 10 IJEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1290117960 FXIKNNSUJFRFOH-WWEVIYMKSA-N 425.552 4.537 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 1298585911 PUAKTEKAKYOBAP-HXUWFJFHSA-N 429.358 4.997 30 10 IJEE C#C[C@H](NC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1)c1ccc(Cl)cc1 1298926045 MWPHAOPHKIDLMO-SFHVURJKSA-N 429.973 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCN(C)C1CCCCC1 1300319726 DQSWOGNLIKIYHK-QFIPXVFZSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCOCC1 1300340397 ZBKIFMUHUCOGRP-IBGZPJMESA-N 430.980 4.719 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[C@@](C)(CC)O1 1300817232 DQHFTOLYAYLQBY-PHPQYKCNSA-N 428.621 4.537 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC)(CC)C1 1300983917 SJDVVYANCMTNRI-UHFFFAOYSA-N 434.588 4.740 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1301086508 KGPUVCRVYLXKPV-FDDCHVKYSA-N 430.543 4.755 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301140062 ZSBDQIWMYZUOHB-HXAGEGRHSA-N 438.616 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1301145864 JUBDOPMGOFFZLN-LJQANCHMSA-N 437.567 4.736 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOCC2(CCC2)C1 1301175130 ZFQBIJCFOKDGAM-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1301220577 DDWBZDFDMBKDFE-UHFFFAOYSA-N 425.552 4.570 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1301269521 QMYGSWUXQNRENW-KSZLIROESA-N 435.362 4.725 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1301279939 BBEFCHDTCGZRPZ-SFTDATJTSA-N 439.604 4.804 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H]1CCCn2cc(C)nc21 1301341022 NCXCNOQZMGSMCD-AUSIDOKSSA-N 443.599 4.938 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)C(C)C 1301372392 LQBYATDOVGKHFM-DEOSSOPVSA-N 437.613 4.962 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@H](C)C1 1301403451 ZLGOOOPENGKBGX-NHTMILBNSA-N 438.616 4.960 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 1301604253 PWSBLIGZTCQQIN-UHFFFAOYSA-N 440.592 4.604 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)C(=O)OC 1303686807 MOGSOWWMXVRVOO-FQEVSTJZSA-N 437.927 4.820 30 10 IJEE COc1ccc(Cl)cc1[C@@H](CC(C)C)NS(=O)(=O)c1cc(C#N)ccc1Cl 1309207572 AUKMFKODPKGUOA-QGZVFWFLSA-N 427.353 4.939 30 10 IJEE C#CCCCS(=O)(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(C)cc1 1309813668 RULJXGPRSNPGFW-UHFFFAOYSA-N 436.371 4.725 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)Cc1cc(Br)ccc1F)c1ccc(Cl)cc1F 1312322598 YDYMPDWOXBYNAP-VOJFVSQTSA-N 441.703 4.985 30 10 IJEE C[C@@H](NC(=O)N[C@@H](c1cccnc1)C(C)(C)CO)c1ccc(-c2cccc(C#N)c2)cc1 1312478502 HHPMSPGAUFTGNU-KOSHJBKYSA-N 428.536 4.740 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1350546823 XLIPVLUKNRGDFK-SANMLTNESA-N 433.504 4.616 30 10 IJEE C=CC1(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CCCCC1 1351075895 NDZZGENXVHMZMS-DAFNUICNSA-N 431.602 4.745 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc2nc(C)cc(C)n2n1)c1ccc(C)c(C)c1 1351157832 HZLBUZUOVSENDN-UHFFFAOYSA-N 441.535 4.770 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nnn(CC2CCCC2)c1C 1352319614 TZUCSANXZWUONO-UHFFFAOYSA-N 435.341 4.507 30 10 IJEE Cc1c(C#N)c(NC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)n(-c2ccccc2)c1C 1354813442 CXUUWWBZRGDRBV-UHFFFAOYSA-N 440.425 4.648 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 1355425673 HIMSZZDGYNWFAT-UHFFFAOYSA-N 443.219 4.516 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(F)c(NC(=O)OC)c1 1357803502 IHNOAXGDMQWDHK-UHFFFAOYSA-N 439.256 4.734 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(CCOC)CCCC1 1358872746 YJUZOZJIIAHCTG-MOPGFXCFSA-N 428.552 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1358881229 AZBAYIZNFMXSDY-IAGOWNOFSA-N 432.515 4.636 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)CC1 1358920854 JFZTUXFHJRJXMG-MBSDFSHPSA-N 430.980 4.880 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1358921035 NEYSDSPMZWOZFU-JOCHJYFZSA-N 436.991 4.925 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)Oc1ccc(C)cc1 1358941829 ZJTRLDBSDPKPBM-MOPGFXCFSA-N 434.609 4.977 30 10 IJEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC1CCC(C(F)(F)F)CC1 1358949513 FBVDDLXLVUPJJK-UHFFFAOYSA-N 426.433 4.585 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359004603 CPPWWDNYFMOTEY-SFTDATJTSA-N 444.627 4.709 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCOC2(CCCCC2)C1 1359050638 WWZAJUAMIHIHIP-UHFFFAOYSA-N 431.005 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(C2CC2)ccc1F 1359107295 IRATTYHNTKRFIQ-RUZDIDTESA-N 442.579 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCO[C@H]1CCCC[C@H]1C 1359110056 YVIFHEIBANDKKL-QUCCMNQESA-N 426.561 4.672 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359125433 CXANZGIHSNBKKL-MOPGFXCFSA-N 447.624 4.710 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1359151937 HFTYSBRMDZAXGZ-SJORKVTESA-N 436.934 4.543 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1cnn(C)c1 1359193085 WKAOGGJEIKEGRD-WOJBJXKFSA-N 428.625 4.559 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1359209325 JYGNRQZJOGZDJB-UHFFFAOYSA-N 441.923 4.511 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)CCCO1 1359263753 KPPCBMHPWROWIZ-XMMPIXPASA-N 438.597 4.701 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC2(CCCC2)C1 1359336933 GDIOITBQATXKBR-NRFANRHFSA-N 426.630 4.889 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)CCO1 1359747638 FTOTUVDCFOTPHJ-DNQXCXABSA-N 444.583 4.513 30 10 IJEE C=C(C)CN1CCC(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1 1443522413 UUURGQHNCXNZIM-XQNSMLJCSA-N 426.507 4.985 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1Br 1459831375 GEKBTCLYECPMES-HUBLWGQQSA-N 432.343 4.698 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc2cnn(C(C)C)c2nc1C 1460780044 CREZBTLMKSQXTN-UHFFFAOYSA-N 429.318 4.900 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccnc(Cl)c2Br)cc1 1464468179 GVZRQXIRXVZXGX-UHFFFAOYSA-N 434.721 4.564 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@H](OC)c1ccc(OC)cc1 1466816714 LRADUBUUXAHUBO-XOBRGWDASA-N 449.345 4.920 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](c2ccccc2C)C1 1466816775 NMLZAEQDTAASHK-HXUWFJFHSA-N 431.330 4.928 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1466914860 MFYSMGHOLRIJEM-UHFFFAOYSA-N 431.517 4.573 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC[C@H](C)CC 1468497080 KMJYFHCALZXSIT-HOYKHHGWSA-N 436.552 4.954 30 10 IJEE C=CCn1c(SC[C@H](Cc2ccccc2)OC)nc2sc3c(c2c1=O)CCCC3 1472931215 HQCNLJPWKLGRJH-KRWDZBQOSA-N 426.607 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(OC(C)(C)C)nc1 1507543408 PPGHFAKDUUBTHJ-FQEVSTJZSA-N 447.583 4.552 30 10 IJEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1Cc2ccoc2CC(C)(C)C1 1507594497 FKIQHTVMQRLTRF-UHFFFAOYSA-N 448.567 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 1507795776 KBUKTMWQDLZCNP-FPOVZHCZSA-N 444.023 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1507803817 IYQHDMIKKBVEKJ-QYWGDWMGSA-N 445.405 4.708 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccoc1 1507810558 XHBCGKIEOMIGQZ-ZJSXRUAMSA-N 436.556 4.685 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]2CCC[C@@H]21 1507829535 BEXMATRHLFJJOV-AQNXPRMDSA-N 429.609 4.738 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1507859092 XBBKLVRMXHIMIU-QAPCUYQASA-N 430.339 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC=CO2)CC1 1507877575 DCXZMPXIBRIZMC-MRXNPFEDSA-N 433.325 4.696 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2nccs2)CC1 1507896437 JJSJAJGDCJBLAC-KRWDZBQOSA-N 439.585 4.724 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOCC(F)(F)C(F)F)CC1 1507897371 OEYWTSSRQRCVEC-UHFFFAOYSA-N 446.876 4.918 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1507932443 SVKQTZXSNPUSDB-LJQANCHMSA-N 441.595 4.818 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 1507936052 XEIJIUCZCBBVKB-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CC=CCC1 1507945437 GKCFAOCRYIVCJE-HXUWFJFHSA-N 446.599 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccccc1)N(C)C 1508007293 ZEGFJIHUXUEVFF-JOCHJYFZSA-N 432.597 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccccc1Cl 1508012048 RUDLETIRQVXQMW-UHFFFAOYSA-N 430.339 4.904 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1508019356 CZHXXQQBBGOSJL-WIYYLYMNSA-N 429.634 4.654 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)O[C@H](C)C1 1508168480 WAXBRGWKWZOJTC-BGYRXZFFSA-N 444.645 4.822 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)C1 1510289210 CRHPHBLMVLTSRU-QFIPXVFZSA-N 431.506 4.964 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)(C)C)cs1 1513742224 AKPRVYXHBPYDIM-IBGZPJMESA-N 438.601 4.533 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nnc(-c3ccc(C)cc3C)s2)CCCN1C(=O)OC(C)(C)C 1518677123 ABMDZLQCANWTPH-QHCPKHFHSA-N 440.569 4.553 30 10 IJEE C#CCSc1ccc(COC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1 1523209188 CTBSVLGYYBXTHJ-UHFFFAOYSA-N 427.323 4.717 30 10 IJEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)C1CC1 1523624783 AGBHUMANYUNOEZ-SANMLTNESA-N 439.559 4.778 30 10 IJEE C=CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)C(C)C 1524768771 ZYKVSQPHLGULOG-UHFFFAOYSA-N 436.581 4.766 30 10 IJEE N#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)cc1Br 1525338704 CTJHVVLMUICLCX-QFIPXVFZSA-N 439.284 4.744 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccc(OC)cc3)cn2)ccc1OC 1529280101 GCFAJIADMWLNFK-GOSISDBHSA-N 447.491 4.502 30 10 IJEE C=CC[C@H](CC)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 1530641734 NSBICJANUWILLP-SFHVURJKSA-N 428.508 4.776 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1532989917 KGNVYZDHFTXNAZ-XMMPIXPASA-N 430.520 4.879 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)cc1 1534381858 ALPYSUWBIRNDMD-UHFFFAOYSA-N 443.503 4.668 30 10 IJEE C#CC[C@@H](COC)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1534422499 BIBFJNCZDHPIHK-SFHVURJKSA-N 439.353 4.685 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2ccccc2Br)nnc1-c1ccco1 1534633593 LSGOUHMDYHMEEI-UHFFFAOYSA-N 448.342 4.712 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCSCC(C)C 1538984415 IMJVGOWESVUHQH-MRXNPFEDSA-N 435.435 4.945 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CCO[C@@H]1C1CC1 1538986312 KERHESKXBCVLPX-BANJIEJESA-N 433.383 4.915 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C(C)(C)C)cc1 1539005918 BNMCQANQHLQSGB-UHFFFAOYSA-N 447.579 4.795 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1ccc(Cl)s1 1539133702 IJWANJSMHOWAGG-UHFFFAOYSA-N 428.989 4.837 30 10 IJEE CC1(C)CCCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)[C@H]1C#N 1539316161 FRJBRHXEQCLOIK-FQEVSTJZSA-N 449.555 4.706 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC1CCCC1 1539351596 ZCUGUNRARYZDIR-UHFFFAOYSA-N 445.405 4.825 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CC=CCC1 1539579757 CIOFVLLLVVGZPX-OAHLLOKOSA-N 432.322 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CC)Cc1c(F)cccc1F 1539628521 QXUVDGYZEKWCIC-JTSKRJEESA-N 439.510 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1F 1539634884 DHWZWNBRWALDFD-IECBHUPTSA-N 435.547 4.582 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1539955343 VFSKXSHLDZHGSI-UHFFFAOYSA-N 446.477 4.546 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1539989555 YBEPKECJRKYQPP-UHFFFAOYSA-N 432.494 4.862 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1540047007 DCJHNQKRHMYOTE-UFYCRDLUSA-N 443.611 4.936 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)F)cc1 1540068484 OAWANEVDPUMQNZ-UHFFFAOYSA-N 425.439 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C 1540139510 HJADXSONKUWMOE-QGZVFWFLSA-N 433.622 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C(C)C)N1CCCC1 1540142079 HHVIUHHVWDEIIA-FCHUYYIVSA-N 443.661 4.894 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)cc1 1540529742 CCKLECXQZPBLRI-UHFFFAOYSA-N 441.369 4.879 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](Oc2ccccn2)C1 1540912197 PNYGKFHCTSZUKC-QGZVFWFLSA-N 441.988 4.570 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H]2CCCCO2)cc1C 1542471768 DVQJFBLHDDPEPC-BWKNWUBXSA-N 437.588 4.563 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)C1 1546079096 FZDYURDKOLXJDQ-NFBKMPQASA-N 425.602 4.641 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@H](C)CC#N)o1 1546937304 ACGIVVFCTPWELP-QGZVFWFLSA-N 443.555 4.837 30 10 IJEE C=C(Cl)CNC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1562528298 FTMIPNZRBAVTBD-UHFFFAOYSA-N 430.633 4.831 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1C#N 1562831369 GTKOGKXSMIWSJQ-UHFFFAOYSA-N 446.551 4.824 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(Cl)c1 1563327007 WBBCBXNMZCSUDA-IBGZPJMESA-N 449.860 4.653 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)C(C)C 1563453638 LZBHEHQXWQNFFW-UNMCSNQZSA-N 448.449 4.722 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)[C@H]1CCCO1 1567815027 YUFWMGBTDSTCAU-RTBURBONSA-N 432.307 4.548 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@](C)(CC)O1 1588288726 JQCFXROBBCUIAU-IERDGZPVSA-N 449.368 4.654 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1588984657 INYHTUMULSWGCL-PXDATVDWSA-N 440.657 4.828 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC(F)(F)F 1589567841 GIQSFFDGVSSCEN-VQIMIIECSA-N 440.535 4.859 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1 1589614743 FJMXWTTVJWJKET-UHFFFAOYSA-N 434.544 4.571 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1593704035 QGKRIFAKQNVJAA-VQTJNVASSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN(C)C(C)C)CC1 1594191834 ACQCMHXWOWOYKF-LJQANCHMSA-N 429.584 4.690 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1594544840 NFRHZLIJFZAXJK-QHCPKHFHSA-N 435.616 4.743 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1594744584 UWHSMXQWHLJMRM-OAQYLSRUSA-N 435.641 4.997 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1594839386 JQWAXRGDJKNFHL-JOCHJYFZSA-N 432.572 4.604 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1595377269 WIVVZJIXJFPGSB-LJQANCHMSA-N 425.577 4.523 30 10 IJEE C=C(CNC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)c1ccccc1 1596357068 DYAAYDKUIIPPFX-UHFFFAOYSA-N 433.552 4.999 30 10 IJEE C=CCN(C(=O)CN(C)[C@H](C)C(C)(C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1618035551 WUOSREQQPPAJOC-CYBMUJFWSA-N 442.412 4.727 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1618312806 YMJBIWZMZKFEIX-HDICACEKSA-N 447.000 4.839 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)cc1 1618689379 KFGWRKIRWGVMGW-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1CCCC(C)(C)C 1619899687 FOLFJFZAHZUKQW-QFIPXVFZSA-N 439.604 4.871 30 10 IJEE CN(CCCN(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)Cc1ccncc1 1629140633 FDAPRJBUCSWHBY-UHFFFAOYSA-N 428.536 4.534 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1 1637233323 XUGLEYTWUKLWGV-HXUWFJFHSA-N 431.577 4.601 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1638664312 KGMLABZFSHJSHS-UHFFFAOYSA-N 447.984 4.963 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)OC)c2ccccc2c1 1644219188 IIEJRTWKHZQSEU-SFHVURJKSA-N 432.904 4.601 30 10 IJEE N#Cc1ccc(CNC(=O)CN2CCCc3cccc(NC(=O)CC4CCCCC4)c32)cc1 1644859652 DKXAYEKXURRUEQ-UHFFFAOYSA-N 444.579 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCCN1CC 1649539833 RKWCLYLCGZEVDW-GHTZIAJQSA-N 448.640 4.709 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2Cl)nnc1-c1cccc(OC)c1 1651850902 OSDPRBRNKHTJDC-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(c2ccc(Cl)cc2)CC1 1653387252 CGFWQULRHZUEON-SFHVURJKSA-N 425.960 4.863 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C#N 1653613961 CFICSQMUHVBSMN-QGZVFWFLSA-N 434.009 4.827 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(CC)C2CCCCC2)nc2sc3c(c2c1=O)CCC3 1656057827 ALJMQFSDOWDKGZ-HNNXBMFYSA-N 445.654 4.795 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)ccc1OC 1656308266 OIABRWBBYNYJKE-XMSQKQJNSA-N 426.532 4.631 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 1657142485 AVNXZLYRROVROL-QGZVFWFLSA-N 439.320 4.603 30 10 IJEE C=CCO[C@H]1CCN(CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)C1 1657912157 ITAFOMIKUCZCOP-DEOSSOPVSA-N 444.579 4.878 30 10 IJEE C=CCN1CC[C@H](N[C@H](CC)c2ccccc2OCc2ccccc2Br)C1=O 1658031339 LJGCHTQYKKCCSX-RTWAWAEBSA-N 443.385 4.856 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(OC)c2)cc1 1665214961 KYHIRKLABJKVEU-QFIPXVFZSA-N 435.524 4.502 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2[C@H](CC)c2ccccc2)cc1 1667322379 RRUFDJBNLHGECJ-DHIUTWEWSA-N 441.597 4.683 30 10 IJEE Cc1ccc(C[C@@H](CO)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1C 1669489288 ALFHVSDKCDSSCB-NRFANRHFSA-N 433.483 4.832 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1670827660 ZUSLSWNYJSZHGQ-SJORKVTESA-N 443.466 4.563 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1671186706 CLDURNFBJOUYCP-SFHVURJKSA-N 431.458 4.747 30 10 IJEE Cc1nc(NC(=O)NCc2cccc(OCC#N)c2)sc1Cc1cccc(Cl)c1 1671357027 DKESBIXBMNLGSG-UHFFFAOYSA-N 426.929 4.920 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CSc4ccc(Br)cc43)cc21 1675095682 MJOHTILFARKPQW-INIZCTEOSA-N 429.343 4.953 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1680405133 VSCRFJHVKGYXMZ-MAUKXSAKSA-N 425.932 4.536 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 1680648875 MOKNXDHVIXYIKE-UHFFFAOYSA-N 443.320 4.672 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)C1 1681936210 DJRVFLKTMNBYME-LJQANCHMSA-N 432.351 4.683 30 10 IJEE C=CCCCCCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1682209177 IEDFLYMFXQVXKU-PZJWPPBQSA-N 433.568 4.964 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(Sc2ccccc2)CCCC1 1683973935 GQNRLZFWQUUXFS-UHFFFAOYSA-N 436.625 4.737 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1Cc1ccc(OC)cc1)c1ccc(Br)cc1 1686920460 YNWIYFHJCWUUPG-RBBKRZOGSA-N 441.369 4.939 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1689938773 WBDWQBKWHZXRIW-RBUKOAKNSA-N 426.630 4.898 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H](OCC)C(C)C 1689948738 DQMGLMLIBIRNEI-FQEVSTJZSA-N 437.613 4.898 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccco1 1690184587 LEGSIKCSLGDCSJ-IBGZPJMESA-N 442.972 4.811 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1690254280 ZEGDSUDLQNPRTI-PKTZIBPZSA-N 431.584 4.722 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OC)C1 1690422338 LRFKIKXZGSBVNO-ZDUSSCGKSA-N 425.396 4.597 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C)o1 1690483913 YUKNCGNVISPQQD-LJQANCHMSA-N 443.592 4.897 30 10 IJEE C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(C(=O)N(C)C)CCCC1)C1CC1 1690537791 SXEZQJVPNKQFMI-QFIPXVFZSA-N 435.616 4.623 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1nnc(C)s1 1690586151 GHZRSKROVBDTJE-HNNXBMFYSA-N 440.642 4.712 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=C)Br 1690613677 PPOOLDGLWSODEM-UHFFFAOYSA-N 446.176 4.799 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)cc1 1690679843 AXUMESBRDFSPIB-REWPJTCUSA-N 431.584 4.892 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCSC(CC)(CC)C1 1690683810 WFNSJDVIDYZJGQ-FQEVSTJZSA-N 442.629 4.507 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)o1 1693049088 HVKRQKYVGCXCPE-FPOVZHCZSA-N 425.577 4.818 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)c1ncc(C)s1 1705503601 ZSYLUOWOSDVPIX-GJZGRUSLSA-N 429.977 4.537 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCO[C@H]1CCCC[C@H]1C 1705591032 DCXHTFQXPJVQBY-IRLDBZIGSA-N 430.552 4.750 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC=CCC1 1705591137 HATVAEPGWQAQQR-MRXNPFEDSA-N 429.387 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](OC)[C@@H](C)CC 1705711130 BICVCXHGPCLOAM-YJBOKZPZSA-N 438.414 4.510 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(Cc1c(F)cccc1F)C1CC1 1705735932 YOFXJKLSTKGJNK-OAQYLSRUSA-N 432.515 4.560 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705770580 LTJJXVLYZISUHV-HXUWFJFHSA-N 431.625 4.717 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(=O)OC)C1 1705786604 TUOPOOFKJMFEJJ-VQTJNVASSA-N 440.588 4.637 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1705796547 GZYXFFYNIPCSBX-QPPBQGQZSA-N 431.584 4.953 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1705800068 NLYDTWKUDRBDCP-QAPCUYQASA-N 442.457 4.681 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1705815066 JVVRJBGJJGYRBH-LEWJYISDSA-N 437.588 4.651 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1c[nH]c2ccc(F)cc12 1705836132 GSHKRUXOYUEPTJ-UHFFFAOYSA-N 443.324 4.521 30 10 IJEE COc1cc(Cn2c(N(CCC#N)CCC(C)C)nnc2C(C)(C)C)c2ccccc2n1 1711669472 GPKRJDATISUJFU-UHFFFAOYSA-N 434.588 4.947 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)cc1 1722389720 LDWBNGYUMHKENM-LJQANCHMSA-N 444.604 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CC[C@H](F)C1 1722401237 PZLFAIAQCIWFMQ-YADHBBJMSA-N 436.575 4.890 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)CN1CCCC1 1722405837 QVNOJBXYWGJECD-UHFFFAOYSA-N 439.673 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1722501405 PLTXFOBVCUMKOV-YSGRDPCXSA-N 434.943 4.540 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCSC(F)(F)F 1722634590 FZUYQKHAYOOOCY-UHFFFAOYSA-N 435.313 4.891 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@@H]1OC)C1CC1 1722645450 MZFDUUTVGOTDQM-KUHUBIRLSA-N 449.368 4.817 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1722653856 MMFAKFMUGFZVID-UGKGYDQZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1ncc(CC)s1 1722658172 APZUHQZQPRGYGS-UHFFFAOYSA-N 434.544 4.739 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CCN1CCCC(C)(C)C1 1722658395 HZPPMMFNQFZFEP-UHFFFAOYSA-N 444.627 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCc1noc(CC)n1 1722661947 AVIKLBKHRQBQES-UHFFFAOYSA-N 434.569 4.696 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)c2c(C)noc2C)C1 1722714224 INMKPINGLPHMNA-MGPUTAFESA-N 441.963 4.788 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nc(C)c(C)s2)C1 1722717667 LPVGTRIJXPVANA-GOSISDBHSA-N 429.977 4.501 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCOc2ccc(Cl)cc2)C1 1722720466 MALYTDRCORBYJL-OAQYLSRUSA-N 430.980 4.525 30 10 IJEE CC(C)(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)C1 1723967721 HPSPHMNHXLPSGV-YADARESESA-N 435.597 4.658 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1740808083 YIBDSTLOZDOSBO-LJQANCHMSA-N 425.385 4.693 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC2(OC)CCC2)CC1 1740820765 QGPRKZORAGVNGC-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740858599 VQYJDCCYKUYFSG-UFYCRDLUSA-N 429.584 4.832 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](OCC=C)C1 1740860019 URTALQGPLRBRHL-IBGZPJMESA-N 431.378 4.845 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCSC1)C1CC1 1740907825 ZTQIABMURBFFSI-CQSZACIVSA-N 449.418 4.624 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740916262 IHKAEBQVWYFTQH-IBVKSMDESA-N 432.616 4.730 30 10 IJEE C[C@H]1C[C@@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CCO1 1742941926 CPWLUXXKOCJBNS-IRXDYDNUSA-N 447.505 4.801 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1748709470 WSSOCKUIDNTIHG-GHTZIAJQSA-N 428.367 4.640 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1748750863 QOXASNGNMZZCBM-VQTJNVASSA-N 448.489 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC(C)(C)c1cccc(OC)c1 1749072796 XQKKXXCNJCMFEG-RUZDIDTESA-N 434.609 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1749079877 BDAUFJMXGFNSRT-LVCYWYKZSA-N 436.453 4.743 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccoc1 1749215562 BASRCXYHLSJLBC-UHFFFAOYSA-N 437.363 4.591 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC2(CCCC2)C1 1749219429 HJAABPKVMAXCLN-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1749296466 NZGCWWOWKJFOLR-LJQANCHMSA-N 425.577 4.605 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749354572 UHWAUDQDWNIFSY-VXKWHMMOSA-N 437.632 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NCCCC)CC1 1749360076 UACFWSSJQVJHPL-UHFFFAOYSA-N 437.632 4.989 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1CSC 1749391748 SAGJVYFXXNMBEO-MRXNPFEDSA-N 438.439 4.734 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@@H]1CCO[C@H](C)C1 1749475332 BSMRVUVTPOZUAS-HZPDHXFCSA-N 449.393 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1cc(C)nc(N2CCCC2)c1 1749576706 UKVACMPYIVKBRR-UHFFFAOYSA-N 442.611 4.708 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCCC[C@H](COC)C2)cc1 1749684271 UVCKMMYAPIGFIG-NRFANRHFSA-N 436.556 4.713 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@H]2CCCCO2)C1 1749701500 VBKNODYMLHSOTH-PKTZIBPZSA-N 438.616 4.983 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC[C@@H](F)C1 1750792003 HDMNDNJYKCUGAQ-PKOBYXMFSA-N 427.524 4.578 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C(F)(F)C12CCC2 1760097345 DAWMQGNTRONZOJ-HQRMLTQVSA-N 428.527 4.928 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)Oc1ccccc1 1760197091 QAYKXAQELYAFRS-FQEVSTJZSA-N 444.604 4.816 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC(CN(C)CCCC)CC1 1760308376 BZWYJMUVTGZZBY-UHFFFAOYSA-N 440.474 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)OC1CCCC1 1760319360 RZPZYDPMPBQEPP-KKSFZXQISA-N 446.979 4.899 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760384810 HQJHLXVWBPUQLI-IFXJQAMLSA-N 439.423 4.723 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1760420338 NBBKBLYHEUSUGP-DEOSSOPVSA-N 445.611 4.877 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760422901 SQCDOZRLMHKRDA-OALUTQOASA-N 438.551 4.641 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760428238 RMBNPRMFFUCVLP-IRXDYDNUSA-N 437.009 4.821 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCN(C(C)C)C1 1760477508 CCAVEIQFRYSJKE-QFIPXVFZSA-N 439.648 4.897 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCOC3(CCCCC3)C2)nnc1C(C)(C)C)C(C)C 1760490447 XHMUXQCHSCYASY-JOCHJYFZSA-N 443.680 4.814 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCSC1 1760498585 WWPMSXOXMMLXEG-HXUWFJFHSA-N 433.581 4.788 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760508997 BQPBUFWATPJSHW-NRFANRHFSA-N 440.588 4.572 30 10 IJEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CC1CC1)C1CCCCC1 1762034092 FRNLXCKTZWDZKA-LJQANCHMSA-N 448.615 4.671 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)C2CCCCC2)C1 1764409922 BASWDMLZDYCZGN-UNMCSNQZSA-N 434.632 4.954 30 10 IJEE Cc1cccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)c1C 1858840701 SVLHZWMNDLOBPS-QGZVFWFLSA-N 429.480 4.620 30 10 IJEE C=CCNC(=O)Oc1ccc(CNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1858884530 WIWBGXSZKKFJIH-SFQUDFHCSA-N 442.515 4.870 30 10 IJEE Cc1cc(C)c2oc(=O)c(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c(C)c2c1 1859742245 YAMYWKNPKNNFHA-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE CCOC(=O)c1ccc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 1860729646 MNKOTOUWADZPPR-LFIBNONCSA-N 429.472 4.663 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(Cl)c1 1862416096 CQABAFCIKSLILR-IBGZPJMESA-N 435.854 4.622 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862434544 BFZOBICOXFLXQO-NRFANRHFSA-N 440.971 4.777 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOc2ccccc2)c1 1862474912 YNLWDKWZDQSBRG-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1 1862557946 RGVXYOQZQIWHOB-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2cccc(F)c2)cc1 1862617476 WNWQXVUZUTZIIU-JOCHJYFZSA-N 447.510 4.667 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2)cc1 1862626992 HYUSRYDSADGWLS-DEOSSOPVSA-N 441.483 4.756 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 1862653566 FKCUNLXZUCSFKU-QFIPXVFZSA-N 430.460 4.982 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C(=O)O 1862677639 FBCRGLMDYZJZDP-YFZFPPMRSA-N 437.467 4.681 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(OC)c2)c1 1862703149 SCCLPWVPCKZUSA-YTJPUZGESA-N 435.520 4.861 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(C2CCCCCCC2)C1=O 1863429553 HLERAWKKKYBZCB-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE Cc1ccc(N(C)C)c(C(=O)Nc2c(Br)cc(C#N)cc2Br)c1 1866159670 BPYMWXWZWCYGQP-UHFFFAOYSA-N 437.135 4.710 30 10 IJEE COc1cccc([C@H](C)CC(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)c1 1867111646 AUZSOWDISARDPI-IQGLISFBSA-N 427.504 4.557 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCC)cn1CCCCCCCCCC 1870531191 DKVIHSBVDOJULL-UHFFFAOYSA-N 445.648 4.678 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1cc(C)ccc1C 1870840104 OIZVKEQXPDCOBX-UHFFFAOYSA-N 426.557 4.766 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871417908 VGHJZOVITVCDMH-KSEXSDGBSA-N 444.439 4.706 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1871862786 OWZATEKANICLMF-HSZRJFAPSA-N 438.524 4.773 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872314965 IEZPKLPNYZYBHW-IERDGZPVSA-N 434.989 4.879 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617183 CCFDJOVCZZLIKD-UHFFFAOYSA-N 442.479 4.698 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccccc1OC 1874241117 PRTXKWSMLSVEIY-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(F)cc1 1874343902 MZADZUMUSMPTMT-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE C(=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1)\c1ccncc1 1874355551 PNQYIMLQNLJDOV-YZSQISJMSA-N 429.549 4.607 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874385775 HTUNDCBTMIXODO-CIAFOILYSA-N 447.358 4.710 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2/N=C/c2cccc(C)c2)cc1 1874390804 GPAORGVWILHVGI-AFUMVMLFSA-N 436.581 4.659 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccccc1Cl 1874405639 IITDFFARERMRQR-BUVRLJJBSA-N 442.972 4.644 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1)c1ccccc1 1874430262 ACNGZMPFPHDUDA-OJWZXOLNSA-N 441.560 4.797 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874434817 YRROOXOBWAAUJN-LGJNPRDNSA-N 449.967 4.895 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)ccc1O 1874442737 JXVPCZJLQZDVTE-BBMHEYIBSA-N 442.516 4.548 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(C)cc1 1874443347 ZMZXGDVXXQTSFH-JAMLUQCHSA-N 449.580 4.613 30 10 IJEE CCCCc1nnc(SCC(=O)N(CC)CC)n1/N=C/c1c(Cl)cccc1Cl 1874475570 HOKUWSSYIHLNRZ-WSDLNYQXSA-N 442.416 4.770 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc2ccccc12 1874482259 MNRJUPMUBLHRKH-VULFUBBASA-N 447.564 4.613 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1sccc1C 1874509454 DAWXJJZEEQQIRK-WSDLNYQXSA-N 427.599 4.830 30 10 IJEE O=C(Oc1ccc(/C=N/n2cnnc2SCCc2ccccc2)cc1)c1ccccc1 1874538364 AXHCYFPFOBGFAX-YZSQISJMSA-N 428.517 4.714 30 10 IJEE Sc1nnc(C2CC2)n1/N=C/c1ccccc1OCc1ccc(Br)cc1 1874558684 RQVYNKKAQKMISI-SRZZPIQSSA-N 429.343 4.668 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1 1875181178 RISYIDDVSQYBEM-CYXJOQHWSA-N 445.855 4.546 30 10 IJEE C[C@H](C(=O)NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 1891047747 CJCWWEYFGVIZFU-AWEZNQCLSA-N 440.259 4.770 30 10 IJEE CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)CC(=O)O 1952923408 RIZXYVCLEVPJIR-LJQANCHMSA-N 435.492 4.712 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)Cc1ccc(I)c(Cl)c1 1995484388 TVPXWLGCMZHMAZ-KRWDZBQOSA-N 446.716 4.780 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@H]2C[C@H]1CC21OCCO1 2048162201 UVEMPOJRCPHPTK-MDOVXXIYSA-N 449.345 4.626 30 10 IJEE CN[C@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC2(CCC2)C1 2063638154 OYQLQTVPIWRLAS-XTEPFMGCSA-N 430.640 4.825 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)c2cscc2Br)C1 2066556224 HTKVXRZYMDPQON-LBPRGKRZSA-N 429.380 4.549 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C 2079192068 PBOGHJLNZBPOHH-XQUALCHDSA-N 444.616 4.542 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079953848 DAGJXGSHPZROQV-LJQANCHMSA-N 447.320 4.943 30 10 IJEE N#Cc1c(C2CCOCC2)nn(Cc2cc(C(F)(F)F)ccc2F)c1Br 2080342001 IPXUWKYUGPCTDV-UHFFFAOYSA-N 432.215 4.617 30 10 IJEE CC1(C)OB(c2cnc(Oc3cc(F)ccc3Cl)c(Br)c2)OC1(C)C 2115994616 ARCYIRLUHTWIFO-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)NCC1C[C@@H]2CC[C@H](C1)N2c1cc(Br)c(C#N)cc1F 2174768733 VDOVJVFHKNXEFK-LQDVMPOASA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(c1ccc(C#N)c(Br)c1F)C1CC1 2174811653 ASHBOKUIUJSWJU-HNNXBMFYSA-N 438.341 4.828 30 10 IJEE C[C@@H](CCC[C@@H](C)C(=O)Nc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C 2181047045 MXPFWFIHXWUMAX-KGLIPLIRSA-N 438.366 4.979 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(C#N)cc2Br)CCCCC1 2181132627 IRITYDWZTOQOBE-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CCN2c1cc(Br)c(C#N)cc1F 2197340409 MQVVAZYBBWECIA-XOBRGWDASA-N 438.341 4.734 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CCC 2224254443 WKNDDBURTZBZOY-YOEHRIQHSA-N 429.403 4.566 30 10 IJEE CCCc1ccc(C#C[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NC)cc1 2231231771 XQJSCETYFLPIKQ-SANMLTNESA-N 449.639 4.606 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2233750903 JRDYRCASXJDLDN-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)C(C)C 2235725249 IUERZMKYJKOFMC-UYAOXDASSA-N 437.422 4.966 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2255535144 QPXJZBNDSKPYTE-PMACEKPBSA-N 427.394 4.845 30 10 IJEE CCc1nc(C(=O)N(Cc2ccccc2)c2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2267163893 KEKNSURZAMHCIT-UHFFFAOYSA-N 448.397 4.852 30 10 IJEE C=C(CS(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl)B1OC(C)(C)C(C)(C)O1 2267465594 XRJOJNOFBJIODS-UHFFFAOYSA-N 426.558 4.576 30 10 IJEE CN(Cc1ccc(I)cc1)c1c(Br)cccc1C#N 2269727108 OFKMPDUPTLWHEP-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CN(Cc1cccc(I)c1)c1cc(Br)cc(F)c1C#N 2280261140 HPZDVZHBYNLIRX-UHFFFAOYSA-N 445.073 4.701 30 10 IJEE C=C(COCCC)[C@@H](OCCCN)c1cc(Br)c(Br)s1 2294423665 YCCIXJRNPKDVKU-CYBMUJFWSA-N 427.202 4.662 30 10 IJEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@H](N)C#Cc2cccc(Br)c2)CC1 2296224193 HUWPDPFZMSTRMM-ZWDAVXSWSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296266838 MNYCVGHOSKPPSI-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H](C)CN1C(=O)OC(C)(C)C 2296304935 MXSMJTHCTTUUTE-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccccc2F)cc1 2297740375 UOUANPRDIDIDAM-JOCHJYFZSA-N 445.446 4.629 30 10 IJEE CC[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2317346381 HTVCTFWGNUQEFI-JKGDOXCYSA-N 432.370 4.751 30 10 IJEE CCc1ccc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)c(Cl)c2)cc1 2321248388 XVQUGBTWBKHPLV-UHFFFAOYSA-N 434.352 4.760 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1OC 2321943092 VXAOHUCGAHVTIY-UHFFFAOYSA-N 447.487 4.616 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)NC1CCCCC1 2322638059 AHCHHGNLDQFUQL-UHFFFAOYSA-N 425.500 4.867 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC)c(OC)c3)cc(C)c2C1=O 2322748308 RXEYYTPCFLGWCU-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCC(=O)NCc2ccco2)cc1C 2322999082 ZZIBPXZNAJRQRH-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)OCC(C)C 2323673533 UEOIQVXUTUFSDW-UHFFFAOYSA-N 447.871 4.731 30 10 IJEE COc1ccc(Br)cc1C=NNc1nc(-c2ccc(NC(C)=O)cc2)cs1 2323842505 BHCMTVONJPHSCR-UHFFFAOYSA-N 445.342 4.986 30 10 IJEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc5c(c4)OCO5)cc(C)c3C2=O)c1 2325182641 FGTSUURBJGLSLS-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325424303 FQGRCJMNBANFEC-HNNXBMFYSA-N 433.485 4.973 30 10 IJEE CCOc1c(C=Nn2c(CCCOc3ccccc3)nnc2SCC)cccc1OC 2328730173 PZALBAZGBPMUQJ-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2328742684 HAQXENQNDKAQBF-UHFFFAOYSA-N 437.525 4.748 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1cccc(Cl)c1 2329698944 NGGGFDPSHJWVFW-UHFFFAOYSA-N 449.001 4.706 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2[C@@H]2CCCO2)c1 2330950648 NJPNCZJUGIDOJW-FQEVSTJZSA-N 449.580 4.668 30 10 IJEE CCCNC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)cc1Cl 2331051647 WCSBYOIAKKQNEE-UHFFFAOYSA-N 440.400 4.743 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574458 IGRBLHHYFFJKLB-NUPXTWTDSA-N 444.381 4.798 30 10 IJEE CCCN[C@@H](C#CC1CC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362771824 FTLJNIYDBAIPLZ-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364754180 SCNYZKKZOOAILX-MJGOQNOKSA-N 433.390 4.568 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2365123512 LCTCRNSSSSDXLO-MJWMLUGYSA-N 445.416 4.685 30 10 IJEE CCCCCC#CC[C@H](NC)[C@H](O)c1sc(Cl)cc1I 2366645447 KZLKPNTYTUBQKT-JSGCOSHPSA-N 425.763 4.601 30 10 IJEE CCN(Cc1ccsc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377422819 QRRGWHWUWJUUSN-UHFFFAOYSA-N 436.224 4.832 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2ccc(N(C)C)cc2)C1=O 2949083 QYAONVVOVFISFJ-LDADJPATSA-N 428.941 4.950 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2cccc(C)c2Cl)NCc2ccco2)n1 14157299 AESCWDFSFFHDAX-UHFFFAOYSA-N 428.949 4.603 30 10 IJEE Cc1ccc2c(c1)C(N1CCN(C(=O)c3cccc(C#N)c3)[C@@H](C)C1)=Nc1ccccc1O2 34813664 BDWZAGSNBHZMKK-IBGZPJMESA-N 436.515 4.897 30 10 IJEE C[C@@H](OCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12)c1ccccc1 34818204 PBFCDMZFAROAJJ-QGZVFWFLSA-N 433.483 4.963 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)s1 35568499 FODCKDZAKJPKRE-ICSRJNTNSA-N 440.565 4.641 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ncccn2)c1 39838808 CJFZLBRNFHAWSB-JOCHJYFZSA-N 439.471 4.514 30 10 IJEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccccc1 54641840 MCOKMAJLFCJAEM-HXUWFJFHSA-N 436.512 4.728 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2ccc(Cl)cc2Cl)cc1 103226888 AJFFRGMDCJEIRI-HQMFNGAOSA-N 448.302 4.588 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2OC)cc1C 169939749 AJBOWZQOTSOOCR-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(N(C)C)cc2)cc1C 169956448 HNULJTOMXBYQDW-DEOSSOPVSA-N 441.531 4.543 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)cc1C 170049629 VMXDBXBGEJKKKS-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)cc1 170166276 IPTJCDLUXICVSR-HXUWFJFHSA-N 429.538 4.540 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccn1 170181744 HFFPIGKATGWFGD-LJQANCHMSA-N 449.334 4.782 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1 170184918 GWSKFSUFCIBAOL-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(OCC)c1 170218558 GGUFZNQHPGPSGX-IBGZPJMESA-N 428.554 4.927 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCO2 170256590 QWAXXBBMPUGBJJ-HSZRJFAPSA-N 428.488 4.624 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(O)c1 170257490 AIZYHBBSXNBBNN-HSZRJFAPSA-N 431.488 4.549 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1)c1ccc2c(c1)CCCO2 170296864 YNBXKJYRQPDSOR-QHCPKHFHSA-N 447.462 4.565 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170337507 ACGIFAXKCXUXTM-JOCHJYFZSA-N 447.560 4.663 30 10 IJEE CCOc1cccc(C=Nc2ccc(-c3nn4c(C(F)(F)F)nnc4s3)cc2)c1O 254818360 KAXMVDLAHIEBHT-UHFFFAOYSA-N 433.415 4.727 30 10 IJEE N#Cc1ccc(CNc2ccc(Br)c(I)c2)c(F)c1 311606165 CMIPVDKHVYWANZ-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CCc1ccc([C@@H]2C[C@H](C)CCN2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 437709085 OHJWGUWUYMFDRG-DYVFJYSZSA-N 426.460 4.894 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)COC(c2ccccc2)c2ccccc2)CC1 438610522 CWIJBUAJXYQBPS-UHFFFAOYSA-N 441.531 4.566 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 475551558 KKHUHZRFZCYRNC-UHFFFAOYSA-N 444.597 4.875 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)nnc1-c1ccco1 496932758 ANINWZJVKOLRAA-KRWDZBQOSA-N 442.972 4.876 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508466201 SVUROCBTZLXGFV-SFHVURJKSA-N 447.514 4.663 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508476689 GAPPJYYWAULRLT-UHFFFAOYSA-N 443.551 4.579 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(C1)OCc1ccccc12 508895933 QFVYGBYWYKAUEV-QFIPXVFZSA-N 437.341 4.529 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 517731861 ZYZMQCJXSPSDLO-UHFFFAOYSA-N 430.548 4.981 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(F)c(F)c1 543630366 SMUMVTYCGNDUSJ-NRFANRHFSA-N 435.902 4.571 30 10 IJEE COC(=O)c1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1Br 548737498 WSULBRMPMZLMRC-HKUYNNGSSA-N 442.313 4.539 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 569815789 GXTKNTDEQRDTQQ-AWEZNQCLSA-N 440.912 4.699 30 10 IJEE Cc1cc(N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)n2nc(C(F)(F)F)nc2n1 572380871 ZZOWCPJWXRXQAY-INIZCTEOSA-N 433.331 4.545 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)c1 586003111 YONOKRFJIQGBMN-RFAWQRTRSA-N 431.580 4.958 30 10 IJEE C=C(C)CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C)cc1 586198925 DQEAAPSQVIPDOW-UHFFFAOYSA-N 431.513 4.542 30 10 IJEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 619834900 MWCBPYBTOZIPKD-UHFFFAOYSA-N 427.552 4.559 30 10 IJEE Cn1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1Cl 712471064 ZXRULPIVTMDYAZ-CQSZACIVSA-N 425.714 4.842 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cc(Br)ccc1O 725831121 LZKVWZFRQAVAFC-UHFFFAOYSA-N 425.208 4.953 30 10 IJEE N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CCC3)CCN1C1CC1 732649812 SRUAAHHPFHCNFN-WTKRLXQWSA-N 448.570 4.924 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 742214920 NKMZRWUKPXBAAB-IBGZPJMESA-N 425.941 4.714 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc(C#N)cc1F 779558201 OHFDMKZMNFLEGU-OAQYLSRUSA-N 438.503 4.921 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc2sc3ccccc3c2s1 787057051 SOFYYUXQSFTZFZ-OAHLLOKOSA-N 435.486 4.663 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(OC)c1 790280726 XNVQTGWDMBTJFE-HXUWFJFHSA-N 441.528 4.761 30 10 IJEE C=CCn1c(N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)nnc1C(F)(F)Oc1ccccc1 809922324 SWHWFFSDSJVPIQ-RHSMWYFYSA-N 429.298 4.613 30 10 IJEE CC(C)c1nc(C(=O)Nc2ccc(C#N)c(Br)c2)nn1-c1ccccc1Cl 1128904047 HBJHDCGGHWRLNG-UHFFFAOYSA-N 444.720 4.931 30 10 IJEE C=CC1(CC(=O)NCc2ccc(-c3csc(C)n3)cc2)CN(C(=O)OC(C)(C)C)C1 1136488790 VRUGSKBZDJIELT-UHFFFAOYSA-N 427.570 4.548 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CSc1nc2ccccc2nc1N1CCCC1 1138257590 PGQBHPIJUUEOSK-UHFFFAOYSA-N 448.592 4.859 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)CCCOc2ccc(C)cc2C)nc1C 1144387830 QXCFGGYBLCLWLI-UHFFFAOYSA-N 443.598 4.599 30 10 IJEE C=C[C@H](C)ONC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1144590296 YXNJWKARYNQZSV-OALUTQOASA-N 434.536 4.660 30 10 IJEE CCOC(=O)c1c(NC(=O)COc2ccc(C#N)cc2F)sc(C)c1C[C@@H](C)CC 1165832059 GBTWJFIASGDMFU-ZDUSSCGKSA-N 432.517 4.850 30 10 IJEE COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1nc(C(F)(F)F)ccc1C#N 1189165923 FXFGNVITLXSZBT-ZDUSSCGKSA-N 434.361 4.867 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)n(C2CCCC2)c1C 1191304786 CSCRMNFUMZEPAD-RUZDIDTESA-N 448.611 4.792 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@]2(C)CCCc3ccccc32)cc1 1192499547 CQOSOJIYGMWOHT-HHHXNRCGSA-N 442.563 4.754 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1197625016 KLCSDUGINJNGDX-NRFANRHFSA-N 449.576 4.821 30 10 IJEE Cc1nc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1-c1cnn(C)c1 1205494439 ASJAQPIIRFYATH-UHFFFAOYSA-N 428.521 4.712 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1207922605 HMKIEZJZIYHGFK-UHFFFAOYSA-N 435.368 4.954 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc12 1264208914 WWOYWAISKQHGKN-INIZCTEOSA-N 433.002 4.898 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(CCC(F)(F)F)n2)cc1 1264802085 QSSRAKGNRDHXQQ-UHFFFAOYSA-N 437.487 4.633 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1286276706 YWBQNQZHIVSTTK-XFAGBWLFSA-N 445.558 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@H](OCC)C1CCCC1 1286281449 GWYORQZIMKAAED-CYFREDJKSA-N 431.584 4.937 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1Cc1ccc(N2CCCCCC2)nc1 1286289393 LWDRFAVYKCLBFQ-OAQYLSRUSA-N 428.584 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1286304432 GZXNRAWVTGQUQV-SFHVURJKSA-N 446.064 4.946 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Br)s1 1286325006 VZYFVAMZSAGTSG-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@H]1CC 1286405932 NJXPTQOTKDVHKC-QUCCMNQESA-N 439.401 4.915 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC1CCC(C(F)(F)F)CC1 1286428726 OXAQVJNKAUASGT-UHFFFAOYSA-N 446.492 4.840 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(F)F)C1 1286497302 OVZPDNMFEZIABI-MOPGFXCFSA-N 448.583 4.883 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2C1 1286500011 XYYXPTJRPUOXLZ-UHFFFAOYSA-N 445.411 4.656 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1286592198 PXUYVQIXDSQLGJ-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1286648558 FZROZPUUXHHGNF-NZQKXSOJSA-N 437.632 4.751 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1)c1ccccc1 1286677805 KBECCXFTBCBPPR-XMMPIXPASA-N 449.643 4.990 30 10 IJEE C=CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@@H](OC)C(F)(F)F)C1CC1 1286738233 WFAZZIUHKYOGKU-LJQANCHMSA-N 447.461 4.722 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](CC)c2ccccc2)n1CC(F)(F)Br 1286754207 MYTBNXOYHWCEFV-MRXNPFEDSA-N 425.321 4.986 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H](C)c1nccs1 1286772242 WKGIZCHHKRWLCC-AWEZNQCLSA-N 432.391 4.898 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2=CCCCC2)C1 1286801120 WHWNWPCFLPLBIF-XMSQKQJNSA-N 426.536 4.839 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl 1289544045 JOUDTALSAYPMPB-UHFFFAOYSA-N 434.989 4.984 30 10 IJEE CCOC1CC(CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)C1 1296909238 AABKMUVYPCGNIQ-QPFKGPCDSA-N 427.980 4.934 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1300446752 SADVYFCNCHBECS-RXVVDRJESA-N 440.016 4.813 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C)CC1 1300889894 RZHCQZJVRNLLBI-IXFSTUDKSA-N 430.543 4.755 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2nc(C)cc2C)CC1 1301097387 VJZBQIRTHQARGC-UHFFFAOYSA-N 436.629 4.939 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](SC)C1 1301196755 JGEIPIYKAMORSO-LJQANCHMSA-N 448.036 4.550 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1Cc1cnc(C)s1)C1CC1 1301316476 LLDQYUFKUNMALM-UHFFFAOYSA-N 448.365 4.815 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1 1301363044 NDHQPRKNNBLMFZ-DVECYGJZSA-N 444.645 4.758 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cccc(Cl)c1 1301403431 ZFMORXUUICXUIC-DEOSSOPVSA-N 442.991 4.965 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1OC 1301406344 PXSGZFKYTGYGEA-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2Cc2cc(Br)cs2)C1 1301546467 SELSFZCNMJDELI-KRWDZBQOSA-N 445.386 4.599 30 10 IJEE Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2nc(C(C)(C)C)ccc2C#N)cs1 1307360224 HHGAGPCQWPJSKX-UHFFFAOYSA-N 432.549 4.651 30 10 IJEE CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1Cc1ccc(Br)cc1C#N 1307945142 AKNFNNUFNDYDCV-HXUWFJFHSA-N 427.342 4.762 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1)c1ccc(Br)cc1 1310321216 FECQQPRLQVKLFK-LJQANCHMSA-N 437.297 4.836 30 10 IJEE C=CCC[C@H](NC(=O)N1CCn2c(nnc2C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1312343692 STKOPPGDWQWZRV-KRWDZBQOSA-N 435.494 4.827 30 10 IJEE CCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)nc(N2CCCC2)c1 1313628466 CKJVSLMBQGPFOT-UHFFFAOYSA-N 443.599 4.651 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)CCc2cccc(F)c2)c(C(=O)OCC)c1C 1352311105 CZOPRBXUTXJKRD-AWEZNQCLSA-N 447.528 4.923 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)ccc1OC 1353364583 FERBYOOCHQMRGW-GBESFXJTSA-N 443.341 4.559 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)cc1 1358081296 YNCUINJXFIMABE-UHFFFAOYSA-N 433.552 4.546 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1358898532 VVEKTIDZUNHFLT-AWRGLXIESA-N 438.616 4.773 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1358906117 WXGGUUVLECVZBE-GOTSBHOMSA-N 430.600 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccccc1 1358987327 BZTPKXYSJBGRRI-FQEVSTJZSA-N 444.604 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1nccnc1C 1359108850 FXHHNBDCMRCZKD-QGZVFWFLSA-N 436.629 4.875 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCOCC(F)F)CC1 1359160561 XNWZWAVURMVIKI-IBGZPJMESA-N 434.531 4.863 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCc2cnn(C)c2)CC1 1359167967 CEYCAZXCQDYXOV-UHFFFAOYSA-N 448.615 4.677 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nc(C)cs2)CC1 1359176257 RBSWCVQFQFOMFX-UHFFFAOYSA-N 429.977 4.823 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)CC1 1359181653 CCULFKYEHPFZQO-UHFFFAOYSA-N 448.036 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359190201 IGDGAXIRKSFCGZ-DYESRHJHSA-N 434.415 4.886 30 10 IJEE CC(C)OCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1360396264 CDSFXDNROHQNLG-JTSKRJEESA-N 431.968 4.627 30 10 IJEE CCOc1ccc([C@H](C)OC(=O)COc2c(Br)cc(C#N)cc2OCC)cc1 1361262828 ANWVVZVHHXUGKC-AWEZNQCLSA-N 448.313 4.801 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc3cc(C(=O)OC)sc23)CCCN1C(=O)OC(C)(C)C 1436521944 BZVZHSOYEHDMHJ-HSZRJFAPSA-N 444.553 4.972 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1)C(C)(C)C 1439395992 AHCOIGSGZZDFDN-UHFFFAOYSA-N 428.195 4.700 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1OC 1447362371 ONFTVTMBMBJGLE-UEVZPOJISA-N 429.516 4.790 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCc3ccc(OC)c(Br)c3)c2c1 1458150690 FQCPPLSMSDNHFF-UHFFFAOYSA-N 428.286 4.507 30 10 IJEE C=CCn1c(SC[C@@H]2COC(C)(C)O2)nc2scc(-c3ccc(C)cc3)c2c1=O 1458738248 ZVCWOXQZKPKREM-INIZCTEOSA-N 428.579 4.863 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)nn1)c1ccccc1 1462505318 NHINUJLAYDQQJD-LJQANCHMSA-N 425.330 4.857 30 10 IJEE COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(F)cc2C#N)cc1OC 1463352967 AYXLXJCWPFCGJJ-UHFFFAOYSA-N 446.544 4.547 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)CC 1463631786 CLHIZSLRNSQDSW-OPAMFIHVSA-N 426.944 4.951 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C 1465085623 CGLUOHDLFSQFTL-VQIMIIECSA-N 440.569 4.550 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)c1ccc(Br)cc1 1468452440 ZSGXVEFQJXMJFY-OAHLLOKOSA-N 449.370 4.986 30 10 IJEE C[C@@H]1CCCCN1C[C@@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1473169617 CCFASHUVKQBJTC-AQNXPRMDSA-N 442.673 4.802 30 10 IJEE C=CCN1CC[C@@H](N(C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)C1=O 1473424340 SWGSLHRYKYBNMB-FGZHOGPDSA-N 432.486 4.934 30 10 IJEE C#CCN(C)CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 1473442608 JZSYMTWJJOKVIY-IOTSTOIWSA-N 433.502 4.653 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(C)cc1OC[C@H]1CCCO1 1474061602 UZVCQJBZZHOMMS-OAQYLSRUSA-N 444.369 4.617 30 10 IJEE C=C(C)COc1cc(CNC[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)ccc1OC 1474237742 AGSIFCLZACDHBE-WKCHPHFGSA-N 430.589 4.918 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1C(F)(F)F 1474877272 CEXCQTJEUIQUIE-NRFANRHFSA-N 442.462 4.913 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 1477580537 VJUFTQQPCVUKGQ-BWKNWUBXSA-N 439.515 4.648 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 1478893937 RIGXIQGWAXYRFP-GOSISDBHSA-N 439.840 4.704 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C 1479435493 UECDXKOOKDSMFI-DHIUTWEWSA-N 435.568 4.617 30 10 IJEE CCCCn1cc(Cn2c(CC3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)c(C)n1 1500524972 HRHYIQQLWLMFFV-UHFFFAOYSA-N 445.615 4.872 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC(F)(F)C1 1504444205 ARQHQKRLUIZDNG-HZPDHXFCSA-N 435.544 4.610 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1507567908 URHDKDDQGMGHGF-UHFFFAOYSA-N 427.596 4.934 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1nc(C)cs1 1507602680 PIIVWKKJLVGFSF-ZBFHGGJFSA-N 429.977 4.710 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CC[C@@H](OCC)C1CCCC1 1507611263 JZOPQVSDBXGWMM-HXUWFJFHSA-N 445.405 4.762 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1507699587 FZHXJYRZNWVKOW-FNZWTVRRSA-N 448.590 4.563 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C)[C@@H]1C 1507793596 DXTMFXQIYZKFIO-WOYCLPQFSA-N 430.980 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)C(C)C 1507824121 SDFUNKOUJUJATM-RUZDIDTESA-N 428.621 4.964 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1507916805 GQQAPQCCLOHMBH-UHFFFAOYSA-N 436.579 4.728 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1507989695 DCGGLPVHIMMCTG-VQIMIIECSA-N 441.576 4.647 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1507996108 GJWUCCUGPGTJIB-QFIPXVFZSA-N 429.572 4.548 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCCCC1 1507999241 MGIQONSGVKTMND-HSZRJFAPSA-N 449.599 4.586 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1ccc(F)cc1 1508033574 NUUYVQLSQMKGDO-FPOVZHCZSA-N 438.547 4.943 30 10 IJEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C(C)C)CC2)s1 1511591556 AZUGCWMJTLJVTR-UHFFFAOYSA-N 436.585 4.566 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC(F)(F)F 1513983943 AWIOWWVMINZWLC-YLJYHZDGSA-N 448.537 4.716 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2C(C)C)ccc1Cl 1521670360 CVEZYXHUNBEBLT-ICSRJNTNSA-N 447.000 4.743 30 10 IJEE C#Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 1522546993 IONXWFHFFZECCX-RCZVLFRGSA-N 428.557 4.839 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CCC(=O)OC)c2ccccc2)s1 1530074370 CCSQTGBYQQLANE-MRXNPFEDSA-N 439.002 4.649 30 10 IJEE C=CC[C@H](CC)NC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1530642009 XRCWUKXJBUYOHY-NSHDSACASA-N 429.380 4.846 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)c2)nc1 1532408144 DSVBMGHBMKHKQV-UHFFFAOYSA-N 447.451 4.665 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](CC)Cc2cn(C)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1534485815 JBIWLDNXZDZWQN-FQRUVTKNSA-N 439.600 4.961 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4ccc(Br)cc4)c3C)cc2n1 1536230231 YIOXWKDPVPAGGH-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(F)cc1 1539050202 ZDQWXJOOSHIYNG-UHFFFAOYSA-N 444.352 4.625 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](CC(C)C)C1 1539637962 VWGYZIPEZSGPNV-IZIIKQMZSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cnn2ccccc12 1539650566 SGBFNXKHZOAHKQ-GOSISDBHSA-N 434.519 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CCCN(C)C(=O)OC(C)(C)C 1539660020 PXBVLHHANOALJG-UHFFFAOYSA-N 427.593 4.913 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@](C)(OC)C1CC1 1539660307 YEPDTRWSVKANRP-OAQYLSRUSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(COC)CC1 1539735360 NOFAYTGPIARDNL-UHFFFAOYSA-N 426.605 4.698 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1539811102 AZURHDZJEAGAII-NRFANRHFSA-N 442.032 4.641 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCC(=O)N(CC)CC)CC1 1539882390 YTQDBXQBEKXEHA-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1539903315 WGQNGWXCLGDXTA-ROUUACIJSA-N 441.624 4.538 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539955034 NFLMIZRHDCNHFI-QRTHJKPMSA-N 430.980 4.561 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1539985300 INYXXZKYNOIYFS-LEWJYISDSA-N 439.560 4.994 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540013344 OKHMHCYLQAQMNQ-FCHUYYIVSA-N 437.632 4.928 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@](C)(O)c1ccsc1 1540086870 FRPNDXXMHWCVCL-DEOSSOPVSA-N 440.613 4.880 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C)c1nccs1 1540180206 JOLXICPQCWEUQC-IBGZPJMESA-N 432.597 4.779 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1540917408 VTZXTYVDPSZJOO-LJQANCHMSA-N 443.661 4.510 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 1544296881 HJCPOVGBMANINX-CYBMUJFWSA-N 433.733 4.589 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCc2sccc2C1 1545719353 FOVBPKDGWUFMQF-KNQAVFIVSA-N 448.640 4.536 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1557475772 VGIFQKWGHPLNKQ-YCRPNKLZSA-N 434.508 4.630 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccc(Cl)cc1F 1561556547 VTPDTMNSGQIKPC-AWEZNQCLSA-N 426.218 4.804 30 10 IJEE C[S@](=O)[C@H]1CCC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1562320291 HVGUHERSQXKDNM-PTMWSELWSA-N 445.972 4.602 30 10 IJEE C=C(C)CONC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1565008369 MOMTYDZUCIHFJW-SFHVURJKSA-N 440.396 4.961 30 10 IJEE C#C[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 1583539036 KNCDLTKBZKJVKR-SFHVURJKSA-N 432.593 4.770 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12)C(C)(C)C 1584733933 XESDFQBPROMZNQ-QHCPKHFHSA-N 432.520 4.705 30 10 IJEE C#CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCCc2ccccc21 1585189719 SNRKFXVQAAMQBF-JOCHJYFZSA-N 434.337 4.788 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)C(C)(C)C)cc1 1585443339 OFRPTTHSDJKKES-JOCHJYFZSA-N 443.632 4.846 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(F)c(O)c1)c1ccc2c(c1)OCCO2 1585493611 WKWBAJYKGNWTJE-UHFFFAOYSA-N 435.451 4.714 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)cc1 1586462138 SVIBFGPMARJIOS-UHFFFAOYSA-N 436.552 4.798 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)[C@H](C)CC 1587568095 MRJIEVGGIJAJDF-KCYKTTMJSA-N 437.613 4.632 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCCS1 1587593453 KLECPJCFHQNBES-WIYYLYMNSA-N 436.581 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](c1cccnc1)C(C)C 1587663225 VCICCOHVRLUULM-NZQKXSOJSA-N 426.568 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(Cl)nc1 1588271465 JGYLDYWSGBFPKM-UHFFFAOYSA-N 444.970 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CCc1ccc(OC)c(OC)c1Cl 1589142920 QWQGSFQQTNOXEP-WAIKUNEKSA-N 430.980 4.697 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1589243257 YYQJAWJYMBCFHI-HRRBBWQUSA-N 449.643 4.586 30 10 IJEE C=C(Br)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1589366860 KTJOOLBVYFOHMI-UHFFFAOYSA-N 426.362 4.892 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1589547742 VQKWGEPZRSEXDF-SRUXOGRHSA-N 430.637 4.632 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(C)(C)CN(C)C)CC1 1594063921 GJYFFUXAZKMJPJ-UHFFFAOYSA-N 449.599 4.861 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1594608947 ZDKZDXAPAGWEDB-GMAHTHKFSA-N 432.572 4.696 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@@H]1C 1594788470 NBJBGHKSMPFKFW-GJZGRUSLSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)COC 1595109254 WDQNDAFEYWEUAR-UHFFFAOYSA-N 425.964 4.859 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C(=O)OC)C1CCCCCC1 1597118436 LMIBGRRUEUEHOM-GOSISDBHSA-N 427.463 4.760 30 10 IJEE C=CCC1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CCOCC1 1616931039 BAOUFRQBABWNPP-UHFFFAOYSA-N 446.887 4.904 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)cc2n1 1617511107 FHUHFMQOTUCDMK-JQJJQDGNSA-N 448.954 4.909 30 10 IJEE C[C@@H]1C[C@@H](CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC(C)(C)C1 1622087120 AVGBYNHGXVRHMN-CHWSQXEVSA-N 431.371 4.591 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 1623452208 MVTDGELSZNFDDK-KRWDZBQOSA-N 432.952 4.772 30 10 IJEE C#CCOc1cccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2OCC)c1 1627844976 BENMZEFDDUHLJB-NRFANRHFSA-N 438.524 4.692 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1628948152 OLOGMAUWKHIDQU-BJKOFHAPSA-N 430.548 4.564 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 1631504700 STNVVOCTKGCAIW-YLJYHZDGSA-N 435.996 4.532 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccon1 1634107638 MCELSAPGJFCGAZ-DEOSSOPVSA-N 445.519 4.507 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1COc2c(C)cccc2C1 1635883928 IXKRBAIEWUJCPZ-GOSISDBHSA-N 433.321 4.598 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1643781471 CSWYCCJTWUBJHO-RUZDIDTESA-N 445.003 4.914 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCCC3 1651666067 MAJSBMJGCJJTKB-LJQANCHMSA-N 442.606 4.754 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 1653590600 AIMXNVMYBGQGQK-OAQYLSRUSA-N 436.980 4.713 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1c1nccc(Oc2cccc(C#N)c2)n1 1655595399 CYDDIZCRGOIYCA-SFHVURJKSA-N 449.555 4.756 30 10 IJEE C#CCN(Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)[C@@H]1CCc2ccccc21 1659182243 MOLCAAJXRWQYHS-XUZZJYLKSA-N 434.580 4.960 30 10 IJEE COC[C@@]1(C)CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 1661515138 DQIAAUGITFFUQE-IBGZPJMESA-N 438.475 4.515 30 10 IJEE C#CCN(C(=O)NCCc1ccc(F)c(Br)c1)[C@H]1CCCc2ccccc21 1667047345 QPXXCGIPXGCWLC-NRFANRHFSA-N 429.333 4.853 30 10 IJEE C#CCOc1ccc(NC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1 1674519244 WEALVMIFDSOJJP-MHZLTWQESA-N 426.516 4.567 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1675135208 DBQPTQPWGDMHNO-INIZCTEOSA-N 440.341 4.969 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 1680632542 DCPNMMVLQBKOTJ-NHCUHLMSSA-N 439.522 4.609 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cc(F)c(Br)cc1F 1682820586 XTUUVXAGHJXICK-GFCCVEGCSA-N 425.248 4.772 30 10 IJEE C=C(C)[C@@H](NC(=O)NC1CC2(C1)CC(NC(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1686173126 BVPCRZADQJWBAC-HLCLSQLSSA-N 435.515 4.717 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173395 HOGUNFFOGVJTFB-HNAYVOBHSA-N 425.520 4.965 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CCOCC2)C1 1689877398 YGSWHVFPEKEVMX-JOCHJYFZSA-N 436.600 4.845 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C1CC(C(C)(C)C)C1 1690034510 KBWKLXDBZQSNDV-UHFFFAOYSA-N 442.405 4.506 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC[C@@H]1C 1690059292 NLQHQKJIJIYTQQ-UFYCRDLUSA-N 445.007 4.820 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@@H]1CCOC1 1690059761 XITBBPWQSRZKRB-RTBURBONSA-N 430.980 4.574 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1690304533 GDMQSUQNVNXKEB-WOJBJXKFSA-N 445.007 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690402976 XDKDYJOMUGJZPJ-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCc2oncc2C1 1690424548 RYPOXTHLSYYSEM-UHFFFAOYSA-N 442.361 4.861 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1690461233 WPXUMJRWWFIZTN-FQEVSTJZSA-N 436.629 4.950 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1690472562 QBBKKEDAGDOIEE-WIYYLYMNSA-N 428.552 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1sccc1Br 1690520734 BGITZZFYVGYSOC-UHFFFAOYSA-N 440.370 4.988 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1CC1(SC)CC1 1690572047 QXFFZUPTXIBWOU-UHFFFAOYSA-N 443.617 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCCc1nccs1 1690585434 KZRAULRNKAXFKF-UHFFFAOYSA-N 444.402 4.975 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(C)C 1690605393 IGGIVEFLJVGYKJ-WMZHIEFXSA-N 438.547 4.973 30 10 IJEE C[C@H]1CCCC[C@H]1OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1693640965 AZRXSZWELLUTOZ-FXAWDEMLSA-N 429.515 4.648 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1705608609 XTJIEEKTXLFNKM-RTBURBONSA-N 446.014 4.955 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC2(CCOC)CC2)CC1 1705765915 GXEHWULMHAPKHC-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1705803502 SJEGYWKLKDFSED-JOCHJYFZSA-N 434.588 4.965 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705803578 VTHAOEKQCFZZDI-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1cccc(OC)c1 1705868340 JIRQCVJVQZWWQT-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE Cc1ncsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1707004468 FSBSCBRZNGTEHQ-JOCHJYFZSA-N 441.004 4.660 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1722416367 LMPKIHDYEOJULV-DSXMGRQXSA-N 436.600 4.589 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1722457629 HVJWWUPCXHAAKR-QHCPKHFHSA-N 447.608 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCS[C@H](C(C)C)C1 1722495820 IDDCOMHGKKOSIE-BVSLBCMMSA-N 426.630 4.813 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccsc1 1722503591 WUVSPKIXVUTKAT-GCJKJVERSA-N 442.560 4.675 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccsc1 1722503596 WUVSPKIXVUTKAT-XMSQKQJNSA-N 442.560 4.675 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1722544949 OHVXELNDIXNQKT-AWEZNQCLSA-N 439.785 4.772 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722569154 OMHOSGPUDSFLKZ-PZJWPPBQSA-N 443.636 4.813 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCSCC(F)(F)F)CC1 1722579915 VRISCKGICUQKFQ-UHFFFAOYSA-N 440.535 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1722586742 QFJBMXIAMXAEPB-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1722607970 PFYKBRGXLWTNSG-FGZHOGPDSA-N 428.552 4.575 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCSC1)C1CC1 1722645228 FHUTYUPWQWQLNH-ZDUSSCGKSA-N 437.382 4.755 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)(N(C)C)C1 1726517721 GRFLIOCQTFHCDM-HOYKHHGWSA-N 441.023 4.849 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1cccnc1)C(C)C 1740647064 IWEGVFMCXGSJQD-HSZRJFAPSA-N 431.971 4.896 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCC1(F)F 1740666221 GWHAVFFMQWOOEG-OAHLLOKOSA-N 437.332 4.993 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCn2ccnc21 1740666314 KRVOYRQEEZYOMK-QFIPXVFZSA-N 446.599 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1Cc1nc(C(C)(C)C)cs1 1740730291 XIPPIAKOEPGWCJ-XMMPIXPASA-N 435.597 4.748 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC=C(C)CC1 1740755312 JRGOEWOEGFHTLA-DYESRHJHSA-N 428.964 4.745 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1740801891 HEBVXBQGGCKRKL-HNNXBMFYSA-N 426.005 4.770 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CCOC)C1 1740814719 AQTBHYRIGDLQEE-CQSZACIVSA-N 445.778 4.779 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1 1740864449 NAMAIUQUYKGFQQ-IOJLRTSASA-N 449.615 4.933 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740892281 SUSJMIASMANTPE-NHCUHLMSSA-N 439.604 4.842 30 10 IJEE Cc1ncsc1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1742052953 CTTLHZVIDBQWFQ-ZBFHGGJFSA-N 444.992 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1C(F)(F)C12CCC2 1749142183 RVKQAECEEAAVJB-IBGZPJMESA-N 443.542 4.985 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(C)CCCS2)CC1 1749323267 CYJSIQGSYNSMAL-XMMPIXPASA-N 439.629 4.835 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H]1CCOC1 1749390735 JAUFUWSRLWTACC-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1749433805 WRNHPMYBPLSIJS-JOCHJYFZSA-N 437.613 4.740 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1749449816 VFYHGJHLWBMREG-HSZRJFAPSA-N 437.632 4.630 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1cccs1 1760104077 RNRNTGBBCRWKGT-QMHKHESXSA-N 440.638 4.703 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)=C(Br)C1 1760138688 GEJVIXRVNONRKW-UHFFFAOYSA-N 449.343 4.830 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOC1CCCCCC1 1760172905 CTDGTLUEVCHOTF-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CCOCC)CC1 1760291192 FRGLFIBLSQCVQN-HSZRJFAPSA-N 442.991 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC 1760328515 XCZYESRMRXFTJE-HSALFYBXSA-N 447.624 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](SC)C(C)(C)C 1760337655 UVSICGHEPWPGRK-VQTJNVASSA-N 430.618 4.971 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1ncc(CC)s1 1760341052 XRKCIKQHNKBXAQ-UHFFFAOYSA-N 425.602 4.944 30 10 IJEE C=C(C)COCCn1c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1760361072 GHMVZFYMQRDHEF-OAQYLSRUSA-N 447.023 4.772 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1760415936 PDCMSOKRIYLKJS-UHFFFAOYSA-N 428.552 4.655 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760434238 TYBUOYJEQDKOLX-JOCHJYFZSA-N 437.632 4.868 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CC(C)(C)N1CCC[C@H](C)C1 1760478268 BHAZYMDILQQOIG-NRFANRHFSA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1nccn1C(F)F 1760485549 IDIHPGBXQURUPK-UHFFFAOYSA-N 430.484 4.741 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)N(C)C 1760485780 QBNIKNJRDNKVOO-HSZRJFAPSA-N 444.608 4.897 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C1CCC1 1760561772 LQBYOHHUEFMHFE-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE COC1CCC(CCn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)C[C@@H](C)C#N)CC1 1770566200 FMCZUCNDHBRDGG-JSOIOWGOSA-N 447.587 4.526 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862430755 QYSDGJYLUCHDSA-LJQANCHMSA-N 425.893 4.886 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccc(C)cc2)cc1 1862475133 DZARDWJWFLXQGX-XMMPIXPASA-N 432.564 4.758 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862552484 JAXZESOVQXBDHI-FQEVSTJZSA-N 441.911 4.531 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)OCCO2 1862605941 GYIOBFHYMWDPNL-QFIPXVFZSA-N 437.467 4.508 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(F)c2)cc1 1862687146 GVSSQUMADJKGJW-NRFANRHFSA-N 437.492 4.717 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862744594 QADYRNAATQTKBJ-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE CCc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863100524 RSVTWCUTZGNUEC-UHFFFAOYSA-N 425.463 4.965 30 10 IJEE CCN(CC)c1ccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863119837 IVLJSGZEWODPEL-UHFFFAOYSA-N 442.544 4.863 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(CCCOC(C)C)C1=O 1863655264 RLKAOUJXVGJYJK-UHFFFAOYSA-N 436.543 4.810 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCc3cc4cccc(C)c4nc32)n1 1868262503 WRXQADNDMCSDEP-UHFFFAOYSA-N 436.519 4.832 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3cc4cc(C)ccc4nc32)n1 1868264996 DZBAKOUDRMWGDV-UHFFFAOYSA-N 436.519 4.832 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](c1ccc(C)cc1)C(C)C 1868844304 VIARYMNRWPWUPP-RPBOFIJWSA-N 436.571 4.802 30 10 IJEE Cc1ccc2nc(-c3ccc(-n4nnc(C#N)c4NC(=O)c4ccco4)cc3)sc2c1 1870140013 VPADSBDHWHHCPB-UHFFFAOYSA-N 426.461 4.569 30 10 IJEE CCCCCCCOc1cn(CC(C)C)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870408855 BQFIPLGAFUKZLM-UHFFFAOYSA-N 440.632 4.571 30 10 IJEE CCCCCCCCn1cc(OC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870555192 UBUYFAUODAWHDH-UHFFFAOYSA-N 429.580 4.679 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(OC)c2)cn1Cc1cccc(C)c1 1870606184 BEOKNUMHSCRQCA-UHFFFAOYSA-N 444.575 4.967 30 10 IJEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(Br)cc2C)cc1=O 1871006735 UVAUWVJKAMUASJ-UHFFFAOYSA-N 437.337 4.592 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2F)ccc2c1O/C(=C\c1ccco1)C2=O 1871443187 JYGPIBAALZJUGW-MFOYZWKCSA-N 429.350 4.639 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1cc(C)c(C)cc1OC 1872149788 GXSHFFGMUHUSSR-UZUQRXQVSA-N 444.597 4.542 30 10 IJEE CC(C)(C)N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872788022 VSPYGUWNFNQXQC-RISCZKNCSA-N 436.364 4.940 30 10 IJEE COc1cccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1873209458 BDPBGCZWICAUAM-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2c(N(CC)CCCC)ncnc21 1873594469 VVCARXDWXRYWEH-UHFFFAOYSA-N 444.583 4.698 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)/C=C/c1ccc(F)cc1 1873685286 HRRJILPVDABYEB-NTCAYCPXSA-N 438.524 4.915 30 10 IJEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874365566 JEBZRGXCKMTZQA-ZMOGYAJESA-N 436.924 4.899 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874376254 MPGXQJHVIXMURL-LPYMAVHISA-N 431.334 4.931 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(F)cc1F 1874405277 PLLOAMPJHWOGKW-AFUMVMLFSA-N 449.571 4.522 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874417820 ULUMEIJFCCNAHV-BUVRLJJBSA-N 445.504 4.657 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1C 1874418747 GZYQGHKBKPNNPM-NLRVBDNBSA-N 449.624 4.800 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(CC)cc1 1874475100 JBSZAXHGEBCFTL-MFKUBSTISA-N 439.560 4.935 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2)cc1 1874483651 GUEUDYADMIOHHM-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)Nc1nccs1 1874578400 METBWRCAXGIQIG-BQYQJAHWSA-N 428.897 4.719 30 10 IJEE O=C(/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc2c(c1)OCCO2 1874580914 MCONJLAFBRRPSD-PKNBQFBNSA-N 440.455 4.582 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1OC 1874694006 HZOLSBZULXWQIF-NYYWCZLTSA-N 436.435 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Br)c2)cc1OC 1875098311 CKRRKMBMUWVFDX-VMPITWQZSA-N 433.298 4.924 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1891373287 YARYLIFFDOYXEE-QHCPKHFHSA-N 431.923 4.809 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@](C)(O)c1cccc(NC(=O)OC(C)(C)C)c1 1922074750 QHBPYBJRAZOPHH-RDGATRHJSA-N 426.557 4.602 30 10 IJEE C=CCC1(NCCC(C)(C)NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924550100 AKSNBKMIDVAPQN-UHFFFAOYSA-N 425.614 4.615 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2001296369 WVOICUZCSBXYAS-FCHUYYIVSA-N 432.605 4.542 30 10 IJEE Cc1cccc(NC(=O)CN2C(=O)CSC2=CC(=O)c2ccc(C(C)(C)C)cc2)c1C 2040429664 CKEPPTIVPLKQIP-UHFFFAOYSA-N 436.577 4.839 30 10 IJEE N#Cc1c([C@H]2CCOC2)nn(Cc2ccc(C(F)(F)F)cc2Cl)c1Br 2080342287 ONEHIWGUTVYWLX-JTQLQIEISA-N 434.643 4.742 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCCC 2088509546 JZSVJZJDLUFYEA-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C[C@@H]1CN(c2cc(Br)cc(F)c2C#N)C(C)(C)CN1C(=O)OC(C)(C)C 2118152106 YZVWYNIQNWMGFY-GFCCVEGCSA-N 426.330 4.684 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181104154 WNGJXFSRYTWVMF-XJKCOSOUSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](O)(C#Cc2ccccc2Br)CC12CCCCC2 2235729934 JRFJAZIFGOBCPW-JOCHJYFZSA-N 434.374 4.875 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2246604801 ZZNUJIRQSIMAOS-XUVXKRRUSA-N 437.625 4.615 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 2267510062 FSOINNCWTYYXMS-UHFFFAOYSA-N 427.353 4.967 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(CC=C)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 2293983547 IIRFBXKJTGIKQF-UHFFFAOYSA-N 433.529 4.981 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2296217341 SYZGXADFPGLAQM-FFZOFVMBSA-N 435.406 4.672 30 10 IJEE O[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319723256 YUFBSRGANKLFCN-QYOOZWMWSA-N 426.512 4.774 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1c(F)cccc1Cl 2320964800 UGBPFPKQWNMDPW-UHFFFAOYSA-N 431.924 4.554 30 10 IJEE CCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O 2321839368 YBHOWHVXNWWHJP-ZDUSSCGKSA-N 431.282 4.704 30 10 IJEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)cc1OC 2321981694 OGYSLNKTMAIDKI-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccc(C)cc4)c3C)C2=O)cc1 2323193958 OQGHQHYTSMOWRF-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC(=O)NCc1ccco1 2323247674 AKHBKUYSRTVSCI-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE Cc1ccccc1C=C1Oc2c(CN(CCO)Cc3ccccc3)c(O)cc(C)c2C1=O 2324010090 DPUIGOWYRLKBIT-UHFFFAOYSA-N 429.516 4.620 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)cc1 2324220785 MUCBLVCYXPNYGX-UHFFFAOYSA-N 430.456 4.856 30 10 IJEE O=C(C=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccc(F)cc1 2325751393 DNULVJBGVWXQCI-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE CCOc1ccc(C=Nn2cnnc2SCc2cccc3ccccc23)cc1[N+](=O)[O-] 2326632624 GTUPLZIZUMGYPR-UHFFFAOYSA-N 433.493 4.913 30 10 IJEE COc1ccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)c(OC)c1 2326881339 HHZRKEAQQKKHGZ-UHFFFAOYSA-N 426.586 4.658 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(O)c(OC)c2)cc1 2327351960 WUZYXOUZDRWVEV-UHFFFAOYSA-N 426.542 4.518 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc[nH]1 2329603145 FDTFTLKKIMDYQX-UHFFFAOYSA-N 444.992 4.550 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330210374 XDCRQCDBQUOCKB-UHFFFAOYSA-N 449.363 4.517 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)c1 2331378598 FYXDGWRRAQWAFA-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331480894 NXFPFYZDHOKCGP-UHFFFAOYSA-N 427.618 4.686 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CC4(CC(OCc5ccccc5)C4)C3)nc2)OC1(C)C 2339583150 UZOBUDGJNLETEP-UHFFFAOYSA-N 432.373 4.912 30 10 IJEE C#CCCCCCCC(=O)Nc1ccc(Br)c(I)c1 2352581946 DPCVOTBNTGDJRY-UHFFFAOYSA-N 434.115 4.966 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(COC)c1 2362288344 LYODJWNCGDLCON-MOPGFXCFSA-N 439.394 4.553 30 10 IJEE C=CCCCN(CC)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2377649516 DNWZDPUSWZNNFX-CQSZACIVSA-N 425.186 4.861 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)c(OC)c2)cc1 20885719 JGPXRRYISQOZEH-PZJWPPBQSA-N 449.547 4.885 30 10 IJEE COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)c(Br)c2)c1 20886097 XIJULNQAXDZVSZ-GOEBONIOSA-N 444.300 4.601 30 10 IJEE CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)NC[C@H]1CCCO1 22691281 OGICLUHHROLOCC-OAQYLSRUSA-O 425.618 4.541 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(O)cc3)oc12 33522341 PQAFREZICBTQQE-NRFANRHFSA-N 445.427 4.519 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2cccc(OC)c2OC)C1=O 36258191 FPNXBGANGRWCDQ-GZTJUZNOSA-N 445.924 4.901 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2OC)C3=O)c1 41287462 WRPTWDYFTGRYGF-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE C#CCOc1c(Br)cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc1OC 96576906 OITKLLPFRDVOSU-WQRHYEAKSA-N 439.309 4.584 30 10 IJEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 103099879 LRPZNFFPRPXURC-SADKCHQCSA-N 437.879 4.954 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2-c2cccs2)ccc1OCc1ccccc1F 169912641 LQONGCLQDTVBQI-FMCGGJTJSA-N 440.525 4.904 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2C)cc1 170088682 FTLWMMBGHUGJSD-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(OC)cc1 170116849 FPCNIXFXSSZLRY-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)c1 170144174 SBPZYNSBOBXPDU-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccnc2)c1 170182686 JJNGAGFHUHQCST-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1C 170203851 MVCZHFXDOJGQER-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170261318 BHXNUWFDIPVWQY-XMMPIXPASA-N 436.467 4.719 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170265124 MBSNULKQBWOIHE-NRFANRHFSA-N 427.928 4.906 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(F)cc1 170271155 OWUKDBMHFYBSJN-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)cc1 170291094 QSXIAYNDRTWGNE-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)o2)cc1C(C)C 170307585 YXUJPIWBLOENET-QHCPKHFHSA-N 446.503 4.894 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccc(O)cc1 170448151 LFIPWSPPROJWBV-KRWDZBQOSA-N 435.398 4.806 30 10 IJEE C=CCn1c(=NC(=O)c2ccc(N(CC)CC)cc2)sc2cc(C(=O)OCC)ccc21 254404864 GERPJZIZZYNWHB-UHFFFAOYSA-N 437.565 4.653 30 10 IJEE N#CC1CCC(CNC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 440996060 FZZMVVJSFYAFGP-BPZDKFOGSA-N 441.373 4.757 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc(OC)c1OC 460167493 XMKQUGSNRIDJST-LJQANCHMSA-N 440.544 4.520 30 10 IJEE C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 466861826 QARJAOALGFBWEG-IFXJQAMLSA-N 433.321 4.987 30 10 IJEE CSc1nc(O)c(C(=O)N[C@](C)(CC(C)C)c2cccc(Br)c2)cc1C#N 477998120 IFAYTMUHOIAWOF-HXUWFJFHSA-N 448.386 4.835 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccccc1 489642391 QOGQVHMJPKSGQD-MOPGFXCFSA-N 436.581 4.710 30 10 IJEE CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCN(c2ccccc2F)C1=O 490664234 UQZBKQFAIGIHEB-QHCPKHFHSA-N 444.466 4.759 30 10 IJEE Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)cc1 503981335 IQEPGGHQWIHBBQ-UHFFFAOYSA-N 448.567 4.628 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 508745212 FTONBQCTYHGTQF-UHFFFAOYSA-N 444.457 4.858 30 10 IJEE C=CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 508827797 NGOOPEBNTSVDFL-KRWDZBQOSA-N 427.549 4.602 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 509010819 LBMLJTJEHSXFHL-QDSKXPNFSA-N 432.543 4.917 30 10 IJEE N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(OC(F)(F)F)cc1 530876764 KWCYOTXCVSMCLA-OAGGEKHMSA-N 444.331 4.968 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 549253380 TWSUQBVHGTUDBR-UHFFFAOYSA-N 430.596 4.636 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 549676345 MVKSRRHUIKKTCN-XMMPIXPASA-N 443.551 4.599 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2cnn(C)c2)CC1 580702804 ZJCJJIQPTUDZHJ-FQEVSTJZSA-N 434.588 4.729 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1Cl 581445406 AMJIWPMVDMJIDU-MQSCRBSSSA-N 447.897 4.745 30 10 IJEE N#Cc1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1 687753244 GJLUSBUQXXRKSH-HSZRJFAPSA-N 430.435 4.752 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccncc1Br)NCCC 702965377 QTWRFZOYJLDLOB-QZTJIDSGSA-N 426.399 4.614 30 10 IJEE CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 726731235 HFCZUFAAYBKRKI-BBBCOCAHSA-N 445.588 4.765 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1c(C)cccc1C 733198356 VZNNNYHGGIDMCU-IBGZPJMESA-N 441.503 4.565 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)cc1OC 737600362 QYWDGMDMZJDDTE-FKXOCDNFSA-N 436.552 4.521 30 10 IJEE COCCN(Cc1cc(Br)cs1)Cc1cc(Cl)ccc1OCC#N 755203489 BNWVBMZCACWUQW-UHFFFAOYSA-N 429.767 4.715 30 10 IJEE CCN(c1ccc(NC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1)C(C)C 812454573 KVQHDWPZTFROAT-GOSISDBHSA-N 449.580 4.756 30 10 IJEE CC/C(=N\OCc1ccc(Br)cc1F)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 821223726 PSIWIPGMSRYIDL-IUVPMCSASA-N 435.293 4.663 30 10 IJEE COC(=O)C(=NNc1ccc(OC)cc1)Sc1nc2ccccc2n1-c1ccccc1 1083998388 INSCVRHOSJGIAF-UHFFFAOYSA-N 432.505 4.725 30 10 IJEE COc1ccc(OC)c(C=NNc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c1 1084070884 WZZUUBSKSWWELN-UHFFFAOYSA-N 438.340 4.867 30 10 IJEE CCCCC(C)=NNc1nc(SCC(=O)Nc2ccc(Br)c(C)c2)n[nH]1 1084472205 BJEFAIOLHCWIJB-UHFFFAOYSA-N 439.383 4.584 30 10 IJEE C#CCC(C)(C)C(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 1124890367 QYEFUSQFDMBRLP-UHFFFAOYSA-N 445.426 4.871 30 10 IJEE C=CC[C@]1(C(=O)NCc2cccc(NC(=O)[C@H](C)CC)c2)CCCN1C(=O)OC(C)(C)C 1125162119 ZYRBEXCVJLITDZ-IQGLISFBSA-N 443.588 4.633 30 10 IJEE C#CCN(C(=O)c1ccc(F)c2ccncc12)[C@H]1CCOc2ccc(Br)cc21 1126151920 VQQJIYUKYFPJDN-FQEVSTJZSA-N 439.284 4.736 30 10 IJEE C#C[C@H](NC(=O)c1ccc(I)cc1Cl)c1ccc(Cl)cc1F 1129735217 IRHYGZBTHAPYKX-HNNXBMFYSA-N 448.062 4.841 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(OC)cc1)[C@H](C)C1CC1 1141708041 RNBPHLQWQBYPNV-UZLBHIALSA-N 436.980 4.858 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC/C=C/Cl 1141763175 JUOLCZJGJQEUNI-CGIBVWHJSA-N 440.927 4.660 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1158164779 KHLGCPUFNULCHT-GOSISDBHSA-N 436.936 4.851 30 10 IJEE C=CC[C@@H](Sc1nc2sc(CC)c(C)c2c(=O)n1Cc1ccc(C)cc1)C(=O)OC 1165231252 OVSHAKCEWJHWPN-GOSISDBHSA-N 442.606 4.895 30 10 IJEE COc1ccc(C)c2c1N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)CCC2 1167926657 BMBKYNAQOHUKFE-UHFFFAOYSA-N 428.536 4.674 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2ccnc3ccccc23)CC1 1170423293 BWTQVJDSCTUNES-LJQANCHMSA-N 430.527 4.889 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C(=O)OC)C2CCCCCC2)s1 1178562686 OFAANFFIMOYYFY-MRXNPFEDSA-N 445.050 4.714 30 10 IJEE C=CCN(Cc1cc(F)ccc1Oc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1180157475 ICOUEKZMQLPNHZ-QGZVFWFLSA-N 427.900 4.586 30 10 IJEE COC(=O)c1ccsc1N1CC[C@@H](N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1=O 1193293280 HKHFTZNQUBMREL-KSFYIVLOSA-N 445.544 4.529 30 10 IJEE C=CCc1cc(CNC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc(OC)c1O 1202367315 ZGGNEIUBCAGRQH-JOCHJYFZSA-N 438.568 4.753 30 10 IJEE CC(C)COc1ccccc1[C@@H](CC(C)C)NS(=O)(=O)Cc1cc(C#N)ccc1F 1210541063 CXQYLVMMDAQCSH-JOCHJYFZSA-N 432.561 4.939 30 10 IJEE C=CCOc1ccccc1CNC(=O)N(CC)CCOc1ccc(Br)cc1 1221984486 JAZKYVSAZHYYRZ-UHFFFAOYSA-N 433.346 4.624 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ccc(Br)cc1 1252459701 VMJBGFBBQMZXPN-NRFANRHFSA-N 429.333 4.927 30 10 IJEE C#CCN(C(=O)NCc1c(CC)ccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1255159180 AHBYHJLXWBZESM-UHFFFAOYSA-N 449.595 4.947 30 10 IJEE C=CCN(C(=O)C[C@H]1CCCC1(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1264307909 RWCSZLUTBSZZNU-OAHLLOKOSA-N 440.537 4.558 30 10 IJEE C=C[C@H](COC)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1269900227 NYCYOQQGYDVTFZ-MRXNPFEDSA-N 427.342 4.847 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(Br)c(C)nc2OC)C(F)(F)F)cc1 1272443907 OYSFQBRVEQVEMU-OAHLLOKOSA-N 428.204 4.603 30 10 IJEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cc4ccccc4cc3C#N)c2)C1 1275725104 BOOHLNDQHLFXNW-ROUUACIJSA-N 447.560 4.630 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1286316287 HUELWCJHNRZCJO-LJQANCHMSA-N 447.539 4.804 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CC(C)(C)C1 1286402518 ZUZFAHLEYKKSGP-UHFFFAOYSA-N 425.580 4.862 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCc2cccnc21 1286419048 WBJWTAAPLIIQSV-OAQYLSRUSA-N 429.955 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CC=CCC1 1286419706 DARBNIPTSGFVLT-YADHBBJMSA-N 432.568 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)Cc1ccc(Br)o1 1286546773 LMSCXHXQGMMDCP-RKVPGOIHSA-N 437.382 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(OC(F)F)c1 1286583411 MMOVBONBJDEZRA-IEBWSBKVSA-N 449.546 4.644 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(N(C)C)CCCC2)CC1 1286651682 INTDCFXGHNNZDY-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286667678 TUDRVBUHJKGOAH-LJQANCHMSA-N 441.595 4.886 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)OC)C1 1286682224 HXFGNIBWDZOCIO-HNNXBMFYSA-N 437.371 4.998 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1286701576 YSRGIJSSSGYXGO-RBUKOAKNSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 1286702340 LGAIRYXXQDKOLA-UHFFFAOYSA-N 428.024 4.943 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCCC(C)(C)C1 1286709560 XUAQBDHSIWRZQR-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](OC)[C@@H](C)CC 1286719317 FSERSDFAMSEWQC-SUMWQHHRSA-N 425.346 4.530 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCc1nnc(C)s1 1286745775 XEYLTXLVYCEZBS-UHFFFAOYSA-N 428.581 4.601 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H](C)C1 1286746885 HGJQEVSBJFOUFC-WOJBJXKFSA-N 435.547 4.795 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1sccc1C 1286767217 KAEWYPHSBURJGL-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2c(C)coc2C)C1 1286800309 JGWOZLQRXGFXCA-RBUKOAKNSA-N 440.519 4.597 30 10 IJEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1)C(C)(C)C 1289007645 NXYLTDWNQOVSCK-UHFFFAOYSA-N 444.984 4.595 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1300600927 CARIXQDFRGFVPG-WFXMLNOXSA-N 428.964 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCc1csc(C)n1 1300790096 HULOJWSEKMCFKH-OAQYLSRUSA-N 429.952 4.737 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)C1Cc2ccccc2C1 1300936459 CTKBSJYKWMWIJB-UHFFFAOYSA-N 429.387 4.949 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CC1)C1CCC1 1300950957 SZYSROGJVOOBBE-LJQANCHMSA-N 429.609 4.738 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nc(C(C)(C)C)cs2)CC1 1301095943 RQLZWMFNCBPXSB-UHFFFAOYSA-N 441.576 4.955 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 1301169908 IUQVJYDOGDAJNQ-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301206728 KIZJOJPYKYPWLU-GFCCVEGCSA-N 432.288 4.781 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS[C@@H](C)C1 1301209384 RUNGDXPHJCNNJU-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc([C@H](C)O)cc1 1301364939 CQMCATFWJUYADR-IBGZPJMESA-N 445.592 4.620 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCSC(C)(C)C2)cc1 1301529692 LQMKFRUTHXYTCX-UHFFFAOYSA-N 426.630 4.956 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)C[C@H](O)c2cccc(Br)c2)cc1OC 1308817109 NLWGJIPDIYRUGK-SFHVURJKSA-N 440.765 4.841 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1311610468 BNXCXBGLQGDFJS-MISYRCLQSA-N 431.577 4.695 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(-c3cccs3)nc3ccc(C)cc23)c1 1358017490 CMPJQSIWBNJKTL-UHFFFAOYSA-N 425.513 4.622 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 1358151924 BDZRLCXEHFVHCP-JOCHJYFZSA-N 449.551 4.657 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccccc1C 1359020092 RBZCLUIOUURHKB-IBGZPJMESA-N 448.636 4.769 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1359020376 AMMVXJPNSLDRIK-SJLPKXTDSA-N 440.897 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCCN1CCC 1359073687 AFEBAOPMJYPZMH-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(C)CCCO2)CC1 1359159507 XXLSYTNSKHKNRG-CYFREDJKSA-N 426.561 4.542 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCC2)CC1 1359184856 CRMWUUJEPKTGEU-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359185051 JYEKGUNOQUHDKU-UHFFFAOYSA-N 429.565 4.506 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@@H]3[C@@H](C2)C3(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359192280 AZGDPMNYKNOVCD-FCGDIQPGSA-N 443.636 4.743 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCC[C@@H](C)C1)c1ccccc1 1359195363 LHNDQMJVPWEHQO-MZYLBHOOSA-N 435.616 4.775 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCCC1(C)C)C1CC1 1359246533 DSHFGVZNWHXWDU-BXKMTCNYSA-N 428.552 4.653 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1359344038 JMPULYZXUKLARC-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccccc1 1439951787 QXJKCQGYOSIBMI-PMERELPUSA-N 436.455 4.686 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 1443262296 HXFBLTUQOBKQPY-GOSISDBHSA-N 443.513 4.879 30 10 IJEE C#CCOc1cccc(OC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1 1456133353 IYTAYEDKIYIHDA-UHFFFAOYSA-N 434.336 4.794 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2sc3c(c2c1=O)CCCCC3 1458722749 CIFPSZWHZOZITK-UHFFFAOYSA-N 440.590 4.897 30 10 IJEE C#Cc1ccccc1CC(=O)N(C1CC1)[C@@H](C(=O)OCC)c1ccc(Cl)cc1Cl 1458961373 NLDDESJBURSWGD-JOCHJYFZSA-N 430.331 4.813 30 10 IJEE C#CCn1ccc(CN(CC)CC(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)n1 1460048235 ORALXKANYUTHAC-UHFFFAOYSA-N 436.943 4.731 30 10 IJEE C=CC[C@@H]1CC[C@@H](NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 1461570136 BFHJEEJIUMHBQU-FYYLOGMGSA-N 427.633 4.880 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1 1463746329 JRGHLIRCHILCRT-CQSZACIVSA-N 437.117 4.548 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H]1Oc1ccccc1 1467366503 GJPRDALMGIWSCB-ICDZXHCJSA-N 446.478 4.844 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F)c1ccccc1 1469468214 JXWYSELCPWMSDK-UYAOXDASSA-N 436.474 4.794 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 1478273408 WZVUULJRCYKTLH-WOJBJXKFSA-N 431.458 4.595 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1)c1ccc(Br)cc1 1478308819 RWBOITAOPYUNQS-PXNSSMCTSA-N 436.353 4.770 30 10 IJEE Cn1cc(CNC(=O)NCC2(Cc3ccccc3)CCCC2)c(-c2ccc(C#N)cc2)n1 1478322326 GYOIBRFSGSDOKO-UHFFFAOYSA-N 427.552 4.561 30 10 IJEE N#Cc1ccc(CNC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc1F 1478702355 FACNZSSWMSGDJW-UHFFFAOYSA-N 436.712 4.644 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)C1 1479314782 WUJPNQPOAASAPD-SFHVURJKSA-N 447.913 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCN1CCCC 1507517979 SCCARFPNLXTMDT-VWPQPMDRSA-N 441.595 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1507543856 RVXGZLYURQYESG-QFBILLFUSA-N 449.624 4.561 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCC[C@H](C)C1 1507545968 HRGDCSZCCOGUDZ-FCHUYYIVSA-N 439.673 4.849 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1507557670 MYKCPPHYMVQKSE-NRFANRHFSA-N 426.362 4.641 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCN1CCC 1507618209 JPESIVABAGLSFZ-JOCHJYFZSA-N 437.632 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507761430 GXDYHBXVQPLRAA-DRMXPCRNSA-N 442.007 4.827 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H](c1ccccc1Cl)N(C)C 1507815833 JXGLQEFEPJFTGZ-JOCHJYFZSA-N 439.007 4.623 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2cccs2)CC1 1507879455 CJRABNDHUVEFCB-UHFFFAOYSA-N 449.624 4.891 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(=O)NC(C)(C)C)CC1 1507897552 KNIGOLGMPCEREO-UHFFFAOYSA-N 446.599 4.509 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1507905231 SYQMYDOWHOCLKJ-BGYRXZFFSA-N 427.662 4.701 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1507915999 IMQBAEPPDWBATK-FGZHOGPDSA-N 446.636 4.677 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1507916195 LQWJPJPUDYCRMJ-IAGOWNOFSA-N 430.515 4.670 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccoc1 1507999436 KRWQDLDWAOSBCK-UHFFFAOYSA-N 430.899 4.699 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1508009373 ZZJXXJPCUKFOEZ-SFHLNBCPSA-N 444.645 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@@H](F)c1ccc(Br)cc1 1508013256 BSJHOOSMJZKOKP-GOSISDBHSA-N 444.352 4.935 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1508050770 KSCQTFQOUGOQRF-NHCUHLMSSA-N 428.577 4.567 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1508166867 FMAOFXLQVFVUCF-IBGZPJMESA-N 442.629 4.801 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(NC(=O)OCC)ccc2Cl)cc(OC)c1OC 1519359023 CCISLBGLDAYASC-UHFFFAOYSA-N 432.904 4.584 30 10 IJEE C=CCC[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccccc1 1521614519 DFRSIXFIOCZUOV-DSPRMBBKSA-N 438.524 4.728 30 10 IJEE C#CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1534868157 MEFUDPDIEHEPOL-UHFFFAOYSA-N 445.375 4.815 30 10 IJEE COc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1C#N 1535536018 ANZAAWSNTFWHFT-UHFFFAOYSA-N 437.565 4.608 30 10 IJEE C=CCC1(C(=O)N2C[C@@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)CCC1 1536017322 PYNZFQUWMYABJK-WOJBJXKFSA-N 440.584 4.889 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccccc1 1537447749 KNKHJOJMJSZYJO-SUMNFNSASA-N 437.348 4.586 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCOC1CCCC1 1538992600 UUDSLTTXJIAVTK-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(N(CC)CC)nc1 1539036218 ZDBYASZPCMVSOR-FQEVSTJZSA-N 448.640 4.626 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1539103664 YEZNYRBQUYLOEO-UHFFFAOYSA-N 440.569 4.635 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CC)CCOCC1 1539540472 QBHPNYJWCRUEQI-HSZRJFAPSA-N 444.526 4.745 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1539597333 VPAVLDFKBGRDKG-CVEARBPZSA-N 438.395 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(C)C1CC1 1539655181 JLZZDUMNPSDEHL-UHFFFAOYSA-N 430.618 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CC1(c2ccccc2)CCOCC1 1539665786 DRTUISNSODHDEH-UHFFFAOYSA-N 431.584 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)C1CC1 1539678301 OYXXIXOMNMPZQO-VWLOTQADSA-N 426.605 4.718 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1539974703 FKBGFVQFJVGVCE-FQEVSTJZSA-N 442.608 4.836 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539989959 BSGBTJSCWLDLMU-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1CCCCO1 1540128324 LBTQFXRAOIQZSS-ZEQRLZLVSA-N 449.599 4.586 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCc2nccn2C1 1540176630 FJWMHUGTYGWLLC-HXUWFJFHSA-N 434.613 4.516 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 1540922304 KAZHUOAUWLVVLZ-OALUTQOASA-N 449.665 4.896 30 10 IJEE COCCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1CCC(F)(F)CC1 1555541087 GHCKEDKZXTTZKF-UHFFFAOYSA-N 431.531 4.751 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCSC1 1558518618 KKTFQSLOCDMPPA-QHCPKHFHSA-N 436.577 4.783 30 10 IJEE C#CCN(Cc1cc(Br)cc(Br)c1N)[C@H]1CCc2ccccc21 1560701313 JGRMUORIMBEYJV-SFHVURJKSA-N 434.175 4.917 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCCc2ccccc21 1564363631 SDHCQRQKTVJKPT-WZONZLPQSA-N 425.935 4.780 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)c1ccc(Cl)cc1F 1564667498 AGQKJFYZIFTNGU-RBUKOAKNSA-N 437.943 4.536 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1570279980 ZIUBAFBEWLTBBA-OAQYLSRUSA-N 440.543 4.829 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 1583757980 AXBRTGWUOOSQBN-QHCPKHFHSA-N 425.460 4.638 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2ccc(OC)cc2)cn1)c1ccc(Br)cc1 1584708185 LUYMLUGBWRZSKS-HXUWFJFHSA-N 437.293 4.749 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Nc4nc(C)cs4)cc3)n[nH]2)c1C 1585176236 FUZSWIGPAHHNAK-UHFFFAOYSA-N 433.541 4.837 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1587723303 IDTXSMODPVDLSV-HZPDHXFCSA-N 431.353 4.885 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1587808201 NURBDCGCVHQIPI-RTWAWAEBSA-N 436.604 4.552 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncccc1C 1588084255 OWSYIJMFIMRURK-HXUWFJFHSA-N 447.970 4.513 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(Cc1ccco1)C(C)C 1593629907 BYEUAUYZIZCQNP-IBGZPJMESA-N 443.592 4.977 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCSC(F)(F)F)CC1 1594127859 IEDGBQMYFKFXFP-UHFFFAOYSA-N 426.508 4.883 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1594134887 XNVYRQQLOMJDDO-SFTDATJTSA-N 441.595 4.521 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1594248093 WBLVDHKXSFQUGC-UHFFFAOYSA-N 431.584 4.653 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ccc(C)cc2)CC1 1594438655 WVARIQHEBYFBPT-DHIUTWEWSA-N 438.616 4.987 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1595044232 PRUDDLXIODURST-HDICACEKSA-N 444.023 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccc(F)c1)N(C)C 1595191828 ZSTJORIASBRSPU-FQEVSTJZSA-N 440.954 4.614 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 1595658870 LXOGSOHKFWRIRQ-FQEVSTJZSA-N 448.615 4.597 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCCN(C(C)(C)C)CC1 1595659485 ZSUTVCQHJQNMPP-UHFFFAOYSA-N 439.648 4.790 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3nn(-c4cccc(Cl)c4)cc3O)cn2)cc1 1596208581 DHZHJKMTAMEVAW-UHFFFAOYSA-N 431.839 4.543 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCc1nc(-c2cc(Br)cs2)no1 1598326958 FMAHVDDKWSXUJQ-GFCCVEGCSA-N 445.342 4.584 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1611911178 FFVOCSXTEQHWBM-OAQYLSRUSA-N 435.469 4.828 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(N3CCC(C#N)CC3)nnc2C(C)(C)C)CN1Cc1ccccc1 1612678989 AGJIHVWMXWZZQH-NFBKMPQASA-N 434.632 4.616 30 10 IJEE C=C(Br)CSc1nnc(-c2cccc(OC)c2)n1-c1ccc(OC)cc1 1613214851 AFZSJWMSUOEDBT-UHFFFAOYSA-N 432.343 4.952 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N 1614537525 GJQYOSNPXYUDIS-WOJBJXKFSA-N 433.604 4.819 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 1617905289 FVNZAQODYQOJLD-RUZDIDTESA-N 438.531 4.586 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](c1ccco1)N1CCCCC1 1619380578 CRCQFCQSPSTVCB-PZJWPPBQSA-N 448.571 4.512 30 10 IJEE CC[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1 1622035733 BPEIPVAJXSEGGJ-ZDUSSCGKSA-N 447.771 4.997 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1623086305 DLAJBWPOYGYKQY-FQEVSTJZSA-N 441.572 4.590 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)ccc1Oc1ccccc1 1625775276 FDOVZAJQRJWOSQ-GOSISDBHSA-N 432.524 4.653 30 10 IJEE C=CC[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)C1 1628819835 BRMXUJYJSPFUDC-SFHVURJKSA-N 436.556 4.980 30 10 IJEE Cc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1NC(=O)c1ccc(Br)cc1 1632699816 HSPSKUBGFZZKLZ-INIZCTEOSA-N 440.341 4.776 30 10 IJEE C#CC[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1633351110 KQQLBEFPPLVXOL-VABKMULXSA-N 439.600 4.962 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(-c3cc(C)c(C)cc3C)[nH]n2)CCCN1C(=O)OC(C)(C)C 1633457748 KTURBUFARKDWMH-VWLOTQADSA-N 436.556 4.733 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(-c4ccc(OC(F)(F)F)cc4)[nH]n3)cc2n1 1635708215 NSUQAYWTCPSHRH-UHFFFAOYSA-N 427.386 4.763 30 10 IJEE C=CCCCCCCCNC(=O)N1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1635936680 ADUPDVCFHBTKFT-FQEVSTJZSA-N 437.625 4.713 30 10 IJEE C=CC[C@@H]1CCN1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 1648409850 VTYWFCVZCPIWHM-QGZVFWFLSA-N 428.945 4.509 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccc(C)cc1 1651889482 NCMWZSZPUNIMJT-FQEVSTJZSA-N 425.529 4.845 30 10 IJEE C#CCN(Cc1sncc1Br)[C@H]1CCOc2ccc(Br)cc21 1652514872 FWELUZQDSJZCOE-AWEZNQCLSA-N 442.176 4.627 30 10 IJEE C=CCn1c(SC/C=C(\C)C(=O)OC)nc2sc(-c3ccccc3)c(C)c2c1=O 1656187394 WWQSMDFJMZLODT-SDNWHVSQSA-N 426.563 4.831 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1 1662379432 VZWCOPVDJXQWSF-QGZVFWFLSA-N 429.460 4.708 30 10 IJEE Cc1cc(S(=O)(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)ccc1C#N 1670695006 CSCWDYPDQJNSAM-UHFFFAOYSA-N 447.438 4.551 30 10 IJEE C#CC[C@H](NC(=O)NCc1ccc(I)cc1Cl)c1ccccc1 1670715785 DFGWEQACNJJJCZ-KRWDZBQOSA-N 438.696 4.508 30 10 IJEE C#C[C@H](NC(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(Br)cc1 1672445562 BUTKRTPTISCCDZ-KRWDZBQOSA-N 446.308 4.655 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12)[C@H]1CCCO1 1681592695 HVRIDBMKVCJFTC-AOYPEHQESA-N 428.532 4.741 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)c1ccc(F)c(F)c1 1681957442 ILQODGKNSKFTEX-PKTZIBPZSA-N 431.527 4.973 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 1684994552 OYBIUGQPEJSDQM-FGZHOGPDSA-N 427.589 4.715 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1686533053 NOPPZUKRIOWNMQ-QRVBRYPASA-N 445.560 4.669 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1noc(-c2cccc(Br)c2)n1 1686922844 RDTBMPMVGUTIOZ-UHFFFAOYSA-N 441.329 4.787 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1689905810 BESKHEHQSNCSSM-UXHICEINSA-N 429.609 4.780 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1CC(F)(F)C1 1690003757 XDSLCUUCSDVACN-UHFFFAOYSA-N 430.911 4.931 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1C[C@H](C)O[C@@H](C)C1 1690008311 DGEFUUUYOLDHGY-HOTGVXAUSA-N 431.367 4.528 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCCC(C)C 1690036829 CLKDABXGOSVTDZ-FQEVSTJZSA-N 438.641 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1C(C)C 1690241083 OIBZWMGOCWGWBG-HARLFGEKSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CCc1cc(C(F)(F)F)ccn1 1690269644 CJICUZLPPJNFLZ-UHFFFAOYSA-N 435.519 4.989 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 1690320625 YMPYFYYKPYTDFQ-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N2CCC(C)CC2)CC1 1690412054 BQYGIDZWFVUCMR-FQEVSTJZSA-N 425.596 4.531 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC2(CCOCC2)C1 1690478302 SLHVPYXZDNUMBV-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1690481292 ZQXAYLCNAFHOJZ-QGZVFWFLSA-N 426.590 4.571 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CC[S@](=O)C(C)(C)C 1690575881 FBJUCFBTRDEPNQ-PMERELPUSA-N 446.617 4.886 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](SC)C(C)(C)C)C1 1690706875 LMTHIRXYSNGIIW-UXHICEINSA-N 432.609 4.567 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@](C)(CC)C1 1690737551 PLHTWWOXCPKHPU-OAQYLSRUSA-N 437.009 4.532 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CCC(C)C 1693521352 GNYNESINTCBUKZ-GOSISDBHSA-N 445.571 4.992 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1694460105 DGDIUVPATOCMEG-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1695087114 ARICOJLDQCFDSF-VVMVZBAXSA-N 437.588 4.559 30 10 IJEE COCCC1(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@@H](C)C#N)CCC1 1697939223 DNANRGIZKHXCLS-SFHVURJKSA-N 432.572 4.604 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705484502 PVAGWELYXIBCGN-GJZGRUSLSA-N 425.989 4.686 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1705510626 UVXVFLBKBIXDRI-FQEVSTJZSA-N 441.595 4.671 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnc(C)s1 1705525055 XQHARBGFHSYCAZ-HNNXBMFYSA-N 429.977 4.886 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1705610953 KUGJUSQKSKGNCN-WOJBJXKFSA-N 432.616 4.642 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ccccc2Cl)CC1 1705770880 XQQCRNPXAFPTMD-UHFFFAOYSA-N 429.977 4.523 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1705796205 BABOROANRMRGJS-UPVQGACJSA-N 437.632 4.846 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1705796742 JIKNMDQAWOUBBI-YLJYHZDGSA-N 433.522 4.588 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CC1(SC)CCC1 1705857599 XZJKTQGFUXAPTM-FQEVSTJZSA-N 442.629 4.659 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705859842 ZYNMPVSKIFNLNJ-DHIUTWEWSA-N 446.643 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCC[C@H]1C 1705868049 ADBZIOJBZWFQJN-KOSHJBKYSA-N 440.588 4.813 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(F)(F)CC1 1705941379 IOAYGJRXKPEMAU-UHFFFAOYSA-N 428.936 4.762 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C[C@H](C)O1 1709327662 FXRUCAUHTIMRLO-OXJNMPFZSA-N 429.515 4.646 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1Cc1ccnc(OC2CCCCC2)c1 1722409351 NXQSTMLHKJBIHL-UHFFFAOYSA-N 445.567 4.568 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@H]1C 1722466075 YXUNWASEJLQXQQ-WOJBJXKFSA-N 426.630 4.890 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC1 1722478956 DAGZEGGZNVQFBC-CYBMUJFWSA-N 425.758 4.826 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCSC(CC)(CC)C1 1722493683 KSEHBUIHUDTADA-AZUAARDMSA-N 430.618 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cc(C)cs1 1722495874 ULMPAWRVCVAEOC-KNQAVFIVSA-N 438.597 4.941 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)C1CCCCC1 1722530059 LJKLPSLVCMXEDI-IBGZPJMESA-N 440.588 4.714 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@@H]1CC 1722530559 WRCRROCRYZAZFC-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1722561719 WXWKHPYAKLLXQO-UHFFFAOYSA-N 444.023 4.644 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722574630 OOWNYULNCKVQON-LLJLJFOGSA-N 428.552 4.511 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2OCCC2(C)C)CC1 1722574766 RPQHAGHLLKXRQE-DYESRHJHSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1722581827 FIFLQMBBCYZKBQ-QFIPXVFZSA-N 435.547 4.663 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722590135 ANTXTMAPWJQGAH-JOCHJYFZSA-N 437.632 4.718 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722610254 NTHBKTMIMKGFSU-DNVCBOLYSA-N 431.378 4.678 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(F)(F)F)CC1 1722611604 KTDUBJVQIOTHRH-UHFFFAOYSA-N 436.478 4.851 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(N(C)C)CCCCC1 1722633865 YJDMBCUMJBOKKN-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCN(C(C)C)C(C)C)C1CC1 1722645269 GREZOCSXJLOLRF-UHFFFAOYSA-N 446.437 4.981 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](CCC)OC)C1CC1 1722645366 KFUNHVZHJALDLF-CQSZACIVSA-N 425.396 4.739 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ncc(CC)s1 1722663627 DDBFAQMAJFQNPX-SFHVURJKSA-N 429.615 4.841 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N1CCC(C)CC1 1722666704 RWBLHVSCGYDQIR-NRFANRHFSA-N 430.600 4.792 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2ccccc2C)C1 1722680718 XPBSGEOAMYQLMX-XUTJKUGGSA-N 437.613 4.700 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)c2c(C)noc2C)C1 1722714225 INMKPINGLPHMNA-QRWLVFNGSA-N 441.963 4.788 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)Sc1ccccc1 1726956523 KGMJKVJLYIUMLZ-IRXDYDNUSA-N 448.596 4.507 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1C 1727714097 GFLWVJHAMXMDPC-QHCPKHFHSA-N 432.572 4.619 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@@H](C)C1 1740532729 LCDFADFSGXXQHT-MUGJNUQGSA-N 445.007 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@H](C)C1 1740532731 LCDFADFSGXXQHT-ZGXWSNOMSA-N 445.007 4.961 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H]1CCCCO1 1740658952 HSKONCXARJHDIF-HXUWFJFHSA-N 443.016 4.646 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 1740793475 JWXQHJRTMVLNGU-UHFFFAOYSA-N 442.579 4.529 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(CN(C)CC)c2)CC1 1740820567 IYHMXDMKMWUHQV-UHFFFAOYSA-N 436.991 4.650 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CCC2)CC1 1740825050 ICOLDTIHRVNWRQ-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccs1)c1ccccc1 1740853597 GMHXCTDAGMMZPW-HXUWFJFHSA-N 435.597 4.572 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1740853741 ILGNZEITRDNMSZ-GGAORHGYSA-N 433.600 4.896 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC(c2ccc(O)cc2)CC1 1740886852 VGFKQDOVBZEZJK-UHFFFAOYSA-N 438.597 4.613 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1740887568 ARKGHLMMKQRRPC-GOSISDBHSA-N 432.996 4.976 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCO[C@@H]1CCCC[C@H]1C 1740918685 SFILMUWIJRIHSB-GMKZXUHWSA-N 438.616 4.960 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccco1 1740934830 RVAJMSRAHNOHAT-UHFFFAOYSA-N 445.523 4.617 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 1741005435 XQZUZYCRYSEXMI-HNNXBMFYSA-N 444.498 4.694 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2)n1 1742519503 DDYMLVLLWDLZIE-INIZCTEOSA-N 448.552 4.527 30 10 IJEE CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)CCCC1 1744292082 GOJWPIBGNBNNHY-MRXNPFEDSA-N 434.371 4.951 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CCN(CCC)CC1 1748638959 ACDWGXGGKSOHMB-UNMCSNQZSA-N 437.632 4.615 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCOC1CCCCCC1 1748876902 YFSVDRXCTRGSHT-UHFFFAOYSA-N 442.966 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCOC[C@@H]1C 1749058877 RONJAWHGOPBJCF-WJONJSRFSA-N 433.383 4.917 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1c[nH]c2ccccc12 1749102529 NJUFKERYPUGPFM-INIZCTEOSA-N 444.377 4.589 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NC1CCCCC1 1749162314 MOFURBUWUKCHBQ-UHFFFAOYSA-N 444.023 4.764 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1)c1ccccc1 1749243963 CIXDPJHYBWEFHV-NFBKMPQASA-N 435.616 4.780 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CCSCC 1749253085 KCKJUUSJQFSHNA-CYBMUJFWSA-N 446.846 4.767 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCCC[C@@H]2C)CC1 1749293382 LALFKZQDBHZYOA-FQEVSTJZSA-N 438.576 4.664 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnccc2OC)CC1 1749311308 MDOOULKSIGLUPP-UHFFFAOYSA-N 441.988 4.832 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1c(C)noc1C 1749467301 NHBMDESRHVDJSC-CYBMUJFWSA-N 430.350 4.738 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1749558390 UIZCZWMUBHNIHB-YTFSRNRJSA-N 443.680 4.743 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[C@H](n3cc(C)cn3)C2)cc1 1749683319 PNJYATOIJUTRPE-IRLDBZIGSA-N 434.588 4.751 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 1749686757 FCEJOXYFEFSQRA-UHFFFAOYSA-N 425.621 4.573 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1749755219 XFJQUXSUQIGPHA-LEWJYISDSA-N 431.694 4.946 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749760876 PTXAVBPSGLNVSY-DEOSSOPVSA-N 428.646 4.624 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760129715 WQNTXTFRWRSISL-IEBWSBKVSA-N 447.505 4.585 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCO[C@H]1C(C)C 1760228463 GYYKBQLXTGIIER-SVMVAKDDSA-N 426.630 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1c(CC)nn(C)c1CC 1760228527 ISLYEUFKBYJAPV-UHFFFAOYSA-N 432.616 4.609 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CCSC2)C1 1760286568 ONJYJRFOCMGNDA-QFIPXVFZSA-N 444.695 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](CCC)OC 1760291512 RRBVBPNQDHLNEW-HFZDXXHNSA-N 448.567 4.924 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1CCC(OC)CC1 1760297666 DIMJDWNKGKXHGN-SCPLRKQGSA-N 442.991 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C 1760298970 BVDUGTHBWRZSRK-NBZYBJRUSA-N 442.648 4.640 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H](C)CC 1760302464 DVCLIKWGWSXKQO-LBPRGKRZSA-N 427.774 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC 1760328517 XCZYESRMRXFTJE-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2nccs2)CC1 1760429710 MWVGAFDRONLIGZ-UHFFFAOYSA-N 448.596 4.926 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1760446810 CZUMDBQYSXUNOI-GOSISDBHSA-N 446.567 4.544 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1760452488 DQPPSMRGMVQIGB-RTBURBONSA-N 432.659 4.802 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CC1(SC)CCC1 1760485068 RCDYSORSMSZGRQ-IBGZPJMESA-N 430.593 4.790 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1760562971 BFIPVXGAMPZZOH-FBBABVLZSA-N 442.629 4.896 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(-c3ccc(C)o3)nnc2N(C)C[C@H](C)C#N)cc1 1761767120 HZGMDMNTLPECGQ-AAIMPIBUSA-N 433.556 4.919 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1762871498 DAGHUXOEEDQLLI-RTBURBONSA-N 438.595 4.640 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C 1765025825 FSJIQRCMAXMATJ-IOMROCGXSA-N 434.613 4.806 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cn2)c1 1858278501 ZMKNBUBQEXBOOW-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)Nc1c(CC)cccc1CC 1858816129 VTMSSIQEMXAMAF-GOSISDBHSA-N 436.556 4.818 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)Cc1cc(Cl)ccc1SC)c1ccccc1 1861896996 DKLDQTDWHNGODC-JOCHJYFZSA-N 428.985 4.663 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C(=O)O 1862380906 NQYICDIMOHDXOU-KRWDZBQOSA-N 434.275 4.678 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432676 KKOMPTVNSHORKD-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(O)c1 1862468495 QBLOABZOOFOOPM-KZULUSFZSA-N 430.298 4.532 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(F)c1 1862489292 UFJNITRYURLGET-HSZRJFAPSA-N 438.543 4.753 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862506205 KPGBJQLAFCTYEN-FQEVSTJZSA-N 426.444 4.811 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862532380 BYDAXQGJLUSAEH-XMMPIXPASA-N 437.499 4.904 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2c(c1)OCCO2 1862549026 GQCQECOJAMCCMG-FYSMJZIKSA-N 447.531 4.713 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1cccc(O)c1 1862589287 IEPSJDFPDOJQSD-QFIPXVFZSA-N 449.890 4.572 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cccc3ccccc23)cc1 1862620734 ZCYQVLDKPRKDIO-HSZRJFAPSA-N 429.516 4.708 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2F)c1 1862700152 BWQZKGBQBXISDG-NRFANRHFSA-N 427.447 4.884 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2F)cc1 1862702502 DUXLFJANHJQARE-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)cc1 1862712989 FHGSBXCLGVVMGD-QHCPKHFHSA-N 431.488 4.550 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1862735066 BCWYSCXAFZPLSS-JOCHJYFZSA-N 446.434 4.555 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863085450 OQSNZWNPVLINOX-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE CCOc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863131257 DPLAPSYZAUJMPU-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccc(C(C)C)cc1 1865150822 PYNKIMLWUYKFGG-JOCHJYFZSA-N 434.584 4.620 30 10 IJEE CN(Cc1ccccc1)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2cccc(Cl)c2)n1 1870014522 LNJGABLUVZRIRI-UHFFFAOYSA-N 442.910 4.681 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2c(C)cccc2C)cc1 1870145877 TZLPYQAFPWKREP-UHFFFAOYSA-N 431.540 4.896 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc(F)c1)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 1871355855 ZWRXTEOIWZGMPA-YVNNLAQVSA-N 441.462 4.979 30 10 IJEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871417765 ZTRFVNRGBLAXAB-FMCGGJTJSA-N 434.419 4.937 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 1871780136 KWPDEYIJUPTQFL-GFCCVEGCSA-N 433.382 4.649 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871860974 VDJNYKZKWBXZCI-NRFANRHFSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871983487 HRHWACKIHOXICG-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccccc1 1872174055 LETXNJAOVYAHDI-QHCPKHFHSA-N 444.597 4.850 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CC 1872324228 JXIANIMANQSIAJ-NRFANRHFSA-N 440.675 4.831 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872511825 ZPUPLHCCQAJIQR-QFIPXVFZSA-N 446.638 4.549 30 10 IJEE Cc1cc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(Cl)cc3)n2)ccc1F 1872772416 OMTIDOOPYDTTET-MRXNPFEDSA-N 427.888 4.517 30 10 IJEE Cc1c(CCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873943852 GJCPFFOPLWUMAM-UHFFFAOYSA-N 439.302 4.839 30 10 IJEE COc1ccc(OCc2nnc(SC)n2/N=C/c2ccccc2OC)c(C(C)(C)C)c1 1874193905 NKEOXYLKDGHXIJ-ZVHZXABRSA-N 440.569 4.776 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccc[nH]2)c1 1874295413 AHUBPMAWIYJDFD-ZVHZXABRSA-N 432.509 4.588 30 10 IJEE CCSc1nnc(CCc2ccccc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874363075 LZLLHIAPJVADNB-YDZHTSKRSA-N 430.961 4.734 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(C(=O)OC)cc1 1874367077 JQVYAZYMLSDJGH-FSJBWODESA-N 426.929 4.936 30 10 IJEE CCCNC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874393539 PHBKORDQWXVVOC-MMDHUZEPSA-N 441.988 4.584 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccc1C 1874442752 KDQXAVBRTJKVDY-XAOCGEIJSA-N 449.580 4.613 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(F)cc1 1874464940 LDSUQMWUFXHZBX-DHRITJCHSA-N 449.511 4.907 30 10 IJEE COCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccc(Br)c1 1874469545 LASPKJDIKJGSSB-LPYMAVHISA-N 445.386 4.712 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)cc1OC 1874489963 UCRYUHOTEBWABO-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(OC)c1 1874632794 VGFRNGHTNWXYQX-OVCLIPMQSA-N 431.488 4.926 30 10 IJEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOC(C)C 1874663607 RAIMIMODIJJTKR-DEOSSOPVSA-N 443.632 4.877 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3OC)c2)c1 1874706420 HBFFGZNPHYGKLT-ACCUITESSA-N 432.472 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cncc(C)c1 1875141245 UUEKNRPIASQRKF-VMPITWQZSA-N 435.451 4.970 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 1891354168 ASIHSUKUAVMZIM-UHFFFAOYSA-N 437.437 4.895 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1922047203 PPYXQWQKZODAAX-GCFVYEKYSA-N 434.624 4.686 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCc2ccc(Br)cc21 1922073653 GDUHOESSMVOJGZ-XZOQPEGZSA-N 430.386 4.724 30 10 IJEE C=CCC1(NCc2cc(Br)ccc2OC(F)F)CN(C(=O)OC(C)(C)C)C1 1922273348 SJGLSNQKFBHSKH-UHFFFAOYSA-N 447.320 4.706 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1933895426 DMOWILWDKHQOGK-IMWIBFENSA-N 427.545 4.715 30 10 IJEE N#Cc1ccc([C@@H]2C[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)o1 1952601673 PIOICGCKIVSOBE-MWTRTKDXSA-N 442.471 4.938 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCC(F)(F)C[C@H]1OCc1ccccc1 2043829275 VLZMQSUCKBPATM-RMTZWNOUSA-N 445.550 4.873 30 10 IJEE C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4C(=O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2054623568 FYASCXLQDJNFAF-BABVPZLESA-N 428.613 4.893 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073116027 RFKOMJOHPAAROU-XPWALMASSA-N 446.632 4.524 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc(Br)cc(F)c1C#N 2107438307 JTIDTORYIBJGAH-MLGOLLRUSA-N 426.330 4.955 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(OC)c1Br 2142369456 NMSUGYLHOHPBDS-CRAIPNDOSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](Nc2cc(Br)c(C#N)cc2F)C12CCC2 2175030871 BLZZHXJVPOMOMC-CXAGYDPISA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1Br)c1ccccc1 2181137989 VZTRXWDZODWAED-QGZVFWFLSA-N 430.302 4.525 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181141153 IQNCPIGOOZLSIX-JKSUJKDBSA-N 436.350 4.733 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2232450829 ANPXUAWCPDZOQN-MAUKXSAKSA-N 441.414 4.574 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2235717768 BPWDAFQQHUMKHP-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2235731737 XSSGYNAHTPQKFT-YWZLYKJASA-N 445.348 4.717 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1 2255617500 VNPGXXBPLGXTJS-FHLIZLRMSA-N 430.354 4.693 30 10 IJEE O[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)o1 2264171766 DUBXDNIBWRZWRQ-NSHDSACASA-N 434.909 4.652 30 10 IJEE C=CCCC1([C@H](O)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266226663 KVGQSMZKKFNLKZ-MRXNPFEDSA-N 432.305 4.964 30 10 IJEE C=CCN(C[C@@H](NC)c1c(F)c(F)c(Br)c(F)c1F)C(=O)OC(C)(C)C 2267840093 YFKVDLJMERRIRD-SECBINFHSA-N 441.263 4.689 30 10 IJEE CCCc1ccc(C#C[C@H](O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 2268744890 CHSDNRQIDMFUPK-VWLOTQADSA-N 449.591 4.805 30 10 IJEE CN(CC[C@@H](Nc1ncc(Br)cc1C#N)C(C)(C)C)C(=O)OC(C)(C)C 2278529895 CPSXUMKLNKUQJR-OAHLLOKOSA-N 425.371 4.799 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2cccc(Br)c2)CC2(CCCC2)C1 2296225282 SXVKGQCFSDCTEE-GOSISDBHSA-N 433.390 4.746 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2296311556 YIEYVTKIIJMBAG-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2313368913 FCERTWRCJFJYFT-NEWJYFPISA-N 444.616 4.542 30 10 IJEE COc1cc(C(=O)Oc2ccc(C(=O)C=Cc3ccc(F)cc3)cc2)cc(OC)c1OC 2314430088 VZBDFCJXCUCXFL-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C)cc1 2314477519 ILGBBSWLVIEAEP-VWLOTQADSA-N 432.564 4.705 30 10 IJEE C=CCN(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317336582 XLTQBPAPDKMFJM-OUKQBFOZSA-N 430.354 4.528 30 10 IJEE C[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2317350550 VCKSIVFILFPNSB-IAGOWNOFSA-N 432.370 4.654 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccccc1OC 2318571228 FXKDYVOCEHJURM-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1OCc1ccccc1 2321977855 JFQNNJRNBZHCSG-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN(Cc1cccs1)CO2 2322308427 PKTNZWYSLDVQSL-UHFFFAOYSA-N 434.473 4.933 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(N)=O)cc1OCCC 2322502896 BTIQPEPPYYMWPI-UHFFFAOYSA-N 431.916 4.678 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccc(O)c(Cl)c2)cnn1-c1ccc(Cl)c(Cl)c1 2322617428 DNBIEUIAHXTMMF-UHFFFAOYSA-N 444.105 4.998 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2cc(OCC)ccc2OCC)cccc1OC 2322860678 JJYUPJXUHHGUGH-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE NC(=O)COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 2323352136 USRNTXVNARDFOM-UHFFFAOYSA-N 436.305 4.876 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2)cc(Br)c1OCC 2323514474 BFAYPKBNLAKZRE-UHFFFAOYSA-N 447.358 4.676 30 10 IJEE COC(=O)Cc1csc(NN=Cc2ccc(OCc3cc(C)ccc3C)c(OC)c2)n1 2323854552 SLRWTRMNMSINCV-UHFFFAOYSA-N 439.537 4.509 30 10 IJEE COc1cc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)ccc1O 2329837363 LNFOJYYOLQTTCI-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1cccc(Cl)c1 2330508753 SZTYSDJIICILPL-UHFFFAOYSA-N 442.972 4.696 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2[C@H]2CCCO2)c1 2330950649 NJPNCZJUGIDOJW-HXUWFJFHSA-N 449.580 4.668 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1N=Cc1c[nH]c2ccccc12 2331092543 PXIYGSDXKYJDIY-UHFFFAOYSA-N 425.558 4.591 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cnccn1 2331106129 JFEJWJIYMYBLHP-UHFFFAOYSA-N 436.414 4.607 30 10 IJEE CCCOC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(C(C)(C)C)cc1 2331163081 SXXYSVFYEJZNOL-UHFFFAOYSA-N 428.480 4.522 30 10 IJEE Fc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc3c(c2)OCCO3)c1 2331201467 CUSRSFOVZHEVCN-UHFFFAOYSA-N 436.468 4.623 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)[C@H]1CCCO1 2331281637 XTEROTVYDRKPDY-LJQANCHMSA-N 445.309 4.747 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCOC)nnc2SCCc2ccccc2)cc1 2331292812 KMNHKUWPMSBUCM-UHFFFAOYSA-N 438.597 4.863 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)CCOC 2331362842 USKLUTVRERBILD-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2OC)cc1 2331405029 GVSDHNSLHPTIFS-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE CCCc1nnc(SCCCO)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331660332 QMPDOQCSYFJLDR-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CCCCCN(Cc3ccccc3)C2)n1 2337027938 KWDAJMKVJPBXOX-QHCPKHFHSA-N 435.421 4.546 30 10 IJEE CCC[C@@H](CN[C@@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2338511413 FPCBKNZBZYIRAW-SFTDATJTSA-N 446.441 4.720 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339537192 OYIWQPVDLWCJML-IBUXMESJSA-N 433.405 4.827 30 10 IJEE C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccccc3OC)cc21 3040713 PZLLIHOPHFNFEF-UHFFFAOYSA-N 430.529 4.923 30 10 IJEE O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 20522733 HJWRJSQEZLGLPT-AQTDBHCXSA-N 433.508 4.986 30 10 IJEE C=CCOc1ccc(/C=C(\Cl)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)cc1 21190299 HSPIHSAEGLKTNK-PTNGSMBKSA-N 430.913 4.771 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc(OCc2csc(C)n2)c1 21474517 KXSGDNQKARJSSG-VAWYXSNFSA-N 433.533 4.598 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)CC1 23607159 GBRBHVJESJYTGO-JZGPVCMCSA-N 437.613 4.615 30 10 IJEE COc1cc(/C=C2/S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)cc(Br)c1O 59432552 RDZAIBVULFAYCW-RQZCQDPDSA-N 447.354 4.540 30 10 IJEE CCCCNC(=O)CSc1nc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1 59502594 RIECMVCDPHAALA-WSDLNYQXSA-N 428.539 4.964 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1-c1ccccc1 59909013 PCSRTAQYPPFJSH-UHFFFAOYSA-N 437.594 4.933 30 10 IJEE CCOc1cc(C(=O)NCC#CCOc2cccc3ccccc23)cc(OCC)c1OCC 90732854 IKSNPEXGQYKIEA-UHFFFAOYSA-N 447.531 4.848 30 10 IJEE N#C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(F)cc1F 111029462 IMWJXSURLMCXKA-QGZVFWFLSA-N 431.851 4.927 30 10 IJEE N#C[C@H](C(=O)c1csc(I)c1)c1cccc(Br)c1 124137801 VVMTXGPTPCGZEP-NSHDSACASA-N 432.080 4.605 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2C(F)(F)F)ccc1OCc1ccccc1F 169914466 QNMCHTDDRPTIIN-VROXFSQNSA-N 440.422 4.585 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1Cc1cccs1 169939800 VUUBVZCNYXMCJY-QHCPKHFHSA-N 433.529 4.854 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 169961411 PTMQUGFBTLOTTR-NRFANRHFSA-N 435.863 4.837 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccccn2)s1 169993388 RACIAUPTULVKOM-KRWDZBQOSA-N 443.887 4.730 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)c(Cl)c1 170041772 JMBCXZNLBLKLRJ-JOCHJYFZSA-N 437.879 4.736 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2)cc1 170055828 UVFUJTAPGQHZGJ-NRFANRHFSA-N 448.544 4.937 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170094607 OAKAXWIZDMWRED-QFIPXVFZSA-N 442.427 4.767 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccco2)cc1 170095074 YCPGBHVBVKEXQG-JOCHJYFZSA-N 447.443 4.578 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(N(C)C)cc1 170129860 UMGYATWSNWWSML-QHCPKHFHSA-N 448.563 4.899 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)cc1C 170174503 GIZVMNQFXOUNGF-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccccn1 170180340 UEFUMXRGYLNOMK-SFHVURJKSA-N 429.314 4.531 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)c1 170204518 FNKYHZQBSVPCQP-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccncc2)c1 170212346 NEZDJEYZJSQOCU-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1C 170250667 KRVGQZSBLOYUGY-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(C)o2)c(C)c1 170304370 SYIIWPQZJIEGQU-JOCHJYFZSA-N 433.460 4.702 30 10 IJEE COc1ccccc1/C=N/N=C1/S/C(=C/c2ccccc2O)C(=O)N1Cc1ccco1 210595290 VTFAZDMGOIIVJO-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE COc1ccc(-c2nc3ccccc3o2)cc1N=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 254524850 PZNSJBPUKGJIFS-UHFFFAOYSA-N 434.364 4.776 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)c2cccc(I)c2)CC1 381919215 NCZOAVUAPHDDDG-INIZCTEOSA-N 426.298 4.545 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1F 437488204 CXZFUKFSSDXQLO-QHCPKHFHSA-N 445.450 4.859 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](c2ccsc2)C1 508728367 ACXZIGNOYUEOOT-UWJYYQICSA-N 440.569 4.642 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC2(CC1)OCCc1ccsc12 508929625 ILRVQXRUECENRY-UHFFFAOYSA-N 445.592 4.753 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccccc2C(=O)O)cc1 526488587 PROADXDFKMFCFJ-OAQYLSRUSA-N 430.847 4.967 30 10 IJEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 565332444 QMQHTRMBALGCGH-IBGZPJMESA-N 442.489 4.876 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)c1 585825548 IFHLTIAEGBBTNJ-HWPQAFDQSA-N 441.959 4.652 30 10 IJEE C=CCCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 586229623 ZOGRFZWQVGLJBO-UHFFFAOYSA-N 444.597 4.712 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccc(OC)c(OC)c1 670223186 OEYWKRLRPADDJT-URXFXBBRSA-N 448.567 4.753 30 10 IJEE CC(C)(C)C#CC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686825346 HNXFVGBEXPIBFN-QFIPXVFZSA-N 427.633 4.703 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(F)c1C#N 687754111 HZIPLXZHFYOCPM-SANMLTNESA-N 444.462 4.926 30 10 IJEE N#Cc1nc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)nc1O 725332480 URZPUHJJURQMMA-UHFFFAOYSA-N 431.087 4.913 30 10 IJEE N=C1[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)SC(=O)[C@@H]1/N=C\c1cccs1 725392158 UUNVBPYJLJANGV-UTZPDHFGSA-N 426.350 4.533 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728902861 BUTIGKZWZQKALF-UHFFFAOYSA-N 449.555 4.779 30 10 IJEE N#C[C@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CCN1C1CC1 732665015 SOWMVJLDSDGGMJ-KRWDZBQOSA-N 428.508 4.557 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2oc3ccccc3c2C)C1=O 734295665 HOVLFSKREBPBQM-LJQANCHMSA-N 441.940 4.662 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cnn(-c2ccc(C#N)cc2)c1C 741812520 WYDIGQUHTQALII-UHFFFAOYSA-N 435.413 4.851 30 10 IJEE CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)cc1 764917239 OFVBOPXDWZDBIQ-MLPAPPSSSA-N 436.476 4.577 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1OC 771950785 VHJFXYSTADSOKA-UHFFFAOYSA-N 440.515 4.680 30 10 IJEE COc1ccc2c(c1)c(CC(=O)NCC1(CC#N)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 797562739 HCLKEZILZWWGHL-UHFFFAOYSA-N 449.938 4.653 30 10 IJEE COc1cccc(C(=O)/C(=C(/S)Nc2ccc(OC(C)C)cc2)[n+]2ccc(C)cc2)n1 811724332 HZGYGZBXMRNNHH-UHFFFAOYSA-O 436.557 4.524 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccc(F)cc1 812917209 PPPUTJUCWOHERD-IBGZPJMESA-N 447.466 4.591 30 10 IJEE COC(=O)C(=NNc1ccccc1[N+](=O)[O-])Sc1nc2ccccc2n1-c1ccccc1 1084284277 HBJYNKQRAOXATJ-UHFFFAOYSA-N 447.476 4.624 30 10 IJEE C=CC[C@@]1(c2nnc(COc3ccccc3OCC)o2)CCCN1C(=O)OC(C)(C)C 1117223233 ROWRYSZBVZPOPL-QHCPKHFHSA-N 429.517 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 1128431674 DNFXETQEYQAQBM-YYWHXJBOSA-N 430.342 4.667 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)COc3ccccc3-c3ccccc3)CC2)c(Cl)c1 1128545888 AZPVPEKJPCPVNT-UHFFFAOYSA-N 431.923 4.606 30 10 IJEE C=C/C=C/CCNC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 1133048675 FAXRWGDLXXVTGF-AATRIKPKSA-N 430.957 4.583 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)cc1 1133187202 BYBDBGIOEURJAU-RUZDIDTESA-N 427.460 4.866 30 10 IJEE C=CC[C@]1(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1138077040 GJSCEMVFFHSDIA-WMZHIEFXSA-N 434.964 4.586 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(C)n(-c3ccccc3Br)c2C)cc1 1141017438 KWTAOEXHBMDECN-UHFFFAOYSA-N 437.337 4.799 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@]1(c2ccc(OCC)cc2)CC1(Cl)Cl 1157501832 PKNNQMRQFMWYRA-NRFANRHFSA-N 438.351 4.591 30 10 IJEE CN(Cc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1)C(=O)OC(C)(C)C 1158741388 FIXJIFFDQBCFHO-UHFFFAOYSA-N 425.504 4.981 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 1161337254 YPVUHZRCTWITAU-INIZCTEOSA-N 430.220 4.705 30 10 IJEE N#Cc1ccc(N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(F)c1Br 1163204775 BDPKQJNFVCYEON-MRXNPFEDSA-N 446.320 4.603 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@@H](C3CCCCC3)C2)cc1 1171804443 BUDGRSFOBBRGLP-OAQYLSRUSA-N 434.584 4.815 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@H]4[C@@H](CCCN4C)C3)c2C#N)C1 1191520375 GNBKKRMDWNKXCV-UEXGIBASSA-N 442.673 4.515 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@H](C)C2)c1 1209497926 KDIFFWVNLDVEJF-WXVUKLJWSA-N 440.609 4.757 30 10 IJEE N#Cc1cccc(CS(=O)(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)c1 1213154422 GGUXEAQTNLEVCA-OAQYLSRUSA-N 428.966 4.751 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(OCC)c(OCC)cc2Br)cc1 1214883852 HLXUBBSZSATBQG-UHFFFAOYSA-N 447.329 4.580 30 10 IJEE C#C[C@H](NC(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccc(Br)cc1 1222260669 OOJCGSRHOIOEEJ-FQEVSTJZSA-N 429.358 4.799 30 10 IJEE C#CCN(C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCCc2ccccc21 1227238056 FSNOFVUSTOLQGV-XMMPIXPASA-N 437.628 4.523 30 10 IJEE CC(=O)N[C@@H](CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)c1ccc(C)cc1 1276765991 GOQBYKWLNJRNHT-KKSFZXQISA-N 431.458 4.522 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2CCCC[C@H]2C1 1286336343 JBLWLINOIXTWDN-QHCPKHFHSA-N 449.643 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1noc2c1CCCC2 1286580766 DFGREPQWZFMYRB-UHFFFAOYSA-N 425.964 4.840 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286591519 ZXSWNEFRJSXSMZ-ROUUACIJSA-N 433.394 4.924 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](CCC)OC)CC1 1286639173 ZFQSNWNVTFBFSY-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(OC)C2CC2)CC1 1286665416 FKJFSSUQNQEUCH-DEOSSOPVSA-N 442.629 4.797 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1ccco1)N1CCCC1 1286717546 ARCDNUXHUVWMTE-IBGZPJMESA-N 443.498 4.599 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1(OCC)CCCC1 1286741989 GDBQZPOTRNTJAQ-UHFFFAOYSA-N 444.583 4.697 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC[C@@H]1C 1286748335 VZQSQHUACPJEFZ-IPJJNNNSSA-N 428.552 4.524 30 10 IJEE C=CCOc1ccc(Cn2c(N(CCOC)[C@@H]3CC[C@@H](C)C3)nnc2C(C)(C)C)cc1 1286796370 JYQXATRETVRRRP-TZIWHRDSSA-N 426.605 4.830 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC(C)C)C(C)C 1286825990 SSNBQBOPCVNKCH-UHFFFAOYSA-N 426.428 4.826 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@@H](F)C1 1286962694 FNSQSGHGWFVTCQ-HZSPNIEDSA-N 438.320 4.581 30 10 IJEE CC(C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC(C#N)CC1)c1cccnc1 1287162148 GANJHCSMBIZRNQ-DEOSSOPVSA-N 428.584 4.638 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(CCOC)CCCC1 1300324975 PZXLAZHDLOKICD-FQEVSTJZSA-N 426.630 4.934 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1300339663 QSAITEAIWKACHA-FCHUYYIVSA-N 433.600 4.967 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1scnc1C 1300438277 JWOWIFNJORRRLP-UHFFFAOYSA-N 427.986 4.890 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)Cc1cccs1 1300602738 TWECJFUDSBRJQY-MSOLQXFVSA-N 426.561 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(CC)(CC)OC 1300788837 NWNVQFBTZPZSDC-JOCHJYFZSA-N 432.515 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CCCN(C)C(=O)OC(C)(C)C 1300905861 XCCYYBSSMKAWNB-UHFFFAOYSA-N 443.592 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1300921464 PJXRWEWWIGBEGH-UHFFFAOYSA-N 435.519 4.989 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](CN(CC)CC)C1 1300936784 KVWPBERTVOKOCX-RBUKOAKNSA-N 427.662 4.876 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1301066449 PDZVTXUSBZXTLY-UTKZUKDTSA-N 429.996 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CCOCC)CC2)CC1 1301109465 JMYPLCHVPGOZMR-UHFFFAOYSA-N 448.409 4.645 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1301119685 SFJFMNKYPCYATP-OYRHEFFESA-N 432.616 4.587 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1CC1CCN(C(C)=O)CC1 1301168976 YEOYHPKIECEDCT-UHFFFAOYSA-N 427.568 4.525 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1301170387 TZMDPJIWMIKUJM-UYAOXDASSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)s1 1301342009 QSSXPCXGPLEGEX-LJQANCHMSA-N 439.972 4.957 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCCC(C)(C)C 1301355438 VZFYQGTZHGFUND-UHFFFAOYSA-N 427.568 4.559 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)C(C)C 1301399461 NUQZCTULCJLUJW-DEOSSOPVSA-N 439.991 4.636 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N(C)Cc1ccc(Br)s1 1301617781 HNSZBYIEFAAVND-UHFFFAOYSA-N 427.437 4.610 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3coc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3)cc2n1 1304006743 FRPISFQNOQYEPP-IBGZPJMESA-N 437.500 4.535 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1 1309205778 JYRGYKGMBQBPQX-UHFFFAOYSA-N 439.606 4.892 30 10 IJEE CSc1cccc(F)c1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1316417963 HFYCZYHILFPWPV-PGRDOPGGSA-N 429.565 4.559 30 10 IJEE C[C@@H]1Oc2ccccc2N(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)C1=O 1347983612 FRENNLHIUGXISM-LSDHHAIUSA-N 437.565 4.523 30 10 IJEE C=CCN(C(=O)c1csc(I)c1Br)c1ccccc1 1349733476 HRMIFLMAHPMGGA-UHFFFAOYSA-N 448.123 4.948 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 1349998848 FHOSQTYJXJVLJU-AREMUKBSSA-N 437.543 4.563 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(Br)ccc2F)CCCN1C(=O)OC(C)(C)C 1355163627 IOENBKIKYWYCMV-LJQANCHMSA-N 427.314 4.873 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2F)cc1 1356328808 JASPGWSWTFHOGF-UHFFFAOYSA-N 431.305 4.584 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1c(Cl)ccc(I)c1F 1357743709 JKLLBOIJOKRJMO-UHFFFAOYSA-N 443.687 4.955 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1358354907 GSKOZQGBCVEJNK-LJQANCHMSA-N 447.457 4.801 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cccc(C(F)(F)F)n1 1358873620 LQMAIPQEBAXCJN-QFBILLFUSA-N 427.474 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCN1CCC 1358899216 JIYHFUQBBFLRCC-LEWJYISDSA-N 425.646 4.601 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1358993455 NNAPBZRZNMIPIM-UHFFFAOYSA-N 447.583 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC1(CCOC)CCCCC1 1359072407 BOVGOZNJTSQCOK-HSZRJFAPSA-N 426.630 4.910 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C1CC1 1359092602 CVGAXBDTNHKYDB-YLJYHZDGSA-N 445.405 4.986 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)C1CCCCC1 1359126482 QSNWQLRLMYOWCW-UHFFFAOYSA-N 439.604 4.899 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1N(C)CCCC1(C)C 1359258705 ZOEVFIFPTHEQRU-GOTSBHOMSA-N 437.632 4.833 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1359260996 UELSZEBCVZMYJY-UHFFFAOYSA-N 443.567 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@H]1CC=CCO1 1359264780 PHAVAOYWNYJLRN-GOSISDBHSA-N 440.544 4.595 30 10 IJEE C=CC[C@@H](CC)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 1436066372 WBXVRCWUVQEENR-LJQANCHMSA-N 436.581 4.814 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H](O)c2ccccn2)ccc1C 1448459110 LMXVCMDFDHJDAV-UNMCSNQZSA-N 439.556 4.660 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)cc1 1460468581 CRVWQKCGLKVDEQ-KRWDZBQOSA-N 444.622 4.746 30 10 IJEE C=CCC[C@H](C(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1)c1ccccc1 1464374967 GKLGOGUXYHSVNR-REWPJTCUSA-N 430.552 4.692 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)c1 1465015615 AEDKKYXYSAXRGX-UHFFFAOYSA-N 437.605 4.849 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1 1466244694 WQAKCBPFKWGZKC-JOCHJYFZSA-N 445.544 4.685 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1468597281 OLOGMAUWKHIDQU-RPWUZVMVSA-N 430.548 4.564 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 1468842732 DIGPAZKTITVWHK-UHFFFAOYSA-N 437.540 4.866 30 10 IJEE C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1469756125 HHBANNDYNACFRE-LJQANCHMSA-N 428.511 4.957 30 10 IJEE Cc1ccc(N2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)c(C)c1 1470402455 GRKLEEOQSXXPBE-UHFFFAOYSA-N 425.532 4.717 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1475841538 PHPSSEFZTRTSLO-ZVVDCOBXSA-N 447.645 4.904 30 10 IJEE C#C[C@@H](NC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1)c1ccc(Br)cc1 1478616701 YOHTZZHHGAZORU-GOSISDBHSA-N 437.284 4.558 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)[C@@H](C)CC)cs1 1498387177 BLFGOLLXOVXWGS-JXFKEZNVSA-N 438.601 4.533 30 10 IJEE CCCN1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1501040252 GQIKFFMEDOJORJ-HJNYFJLDSA-N 438.620 4.648 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1507575200 DCAVKFZEOWQNSP-HXUWFJFHSA-N 446.780 4.904 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CSCCS1 1507694214 JZBRBHJHDPRTPA-LJQANCHMSA-N 444.670 4.597 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1507763897 FWKSIRMBAKGWQA-LJFZDNNRSA-N 442.510 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1507798138 NFPREUTZRMQKTE-NFBKMPQASA-N 441.576 4.781 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507870118 DTOCMPGPPOIUFK-WOJBJXKFSA-N 446.039 4.960 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2nccs2)CC1 1507896438 JJSJAJGDCJBLAC-QGZVFWFLSA-N 439.585 4.724 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1507899696 QLQKAMFANFGIQJ-BGYRXZFFSA-N 425.596 4.855 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC2(C)C)CC1 1507909473 GTYNYKCRABOCTG-OALUTQOASA-N 429.609 4.799 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](OC)C(C)C)CC1 1507909706 PEMZWCLLOPVCIO-FQEVSTJZSA-N 430.618 4.652 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1507934661 IVFCUQGZODSKIU-UHFFFAOYSA-N 437.632 4.884 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCSC2(CCOCC2)C1 1507952868 YLFRSKRZHKDYKU-UHFFFAOYSA-N 442.629 4.543 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@H](F)C1 1508000366 VLXKNWNGSIPAGX-VXKWHMMOSA-N 430.531 4.851 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC[C@H](C)C1 1508004666 PAXFUYUQBJOQQP-GMAHTHKFSA-N 444.627 4.962 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccsc1 1508024940 NXFSMQHDIYFCRJ-VWLOTQADSA-N 445.592 4.544 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)o1 1508048119 KUBXHOUSYOSMQQ-CYBMUJFWSA-N 435.297 4.735 30 10 IJEE C#CCSCC(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 1523328025 AWDWAMSHLCXXLV-LJQANCHMSA-N 425.535 4.574 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)cc1 1525685894 VJLKPIHXWVPFOQ-FCEUIQTBSA-N 428.573 4.826 30 10 IJEE C#Cc1ccccc1CC(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1527965137 YAHAIHGIFDPGRV-XMMPIXPASA-N 428.532 4.746 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 1527965477 JBWNCGNEHFNVFV-UHFFFAOYSA-N 428.473 4.670 30 10 IJEE C=CCCn1cc(C(=O)Nc2cccc(NC(=O)Nc3cccc4c3CCCC4)c2)nn1 1529294240 WKTGZKCWUMOCES-UHFFFAOYSA-N 430.512 4.629 30 10 IJEE C=C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)c1ccccc1 1532387297 JXAMEWUIPHDRKW-QFIPXVFZSA-N 437.517 4.604 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccnn2Cc2ccc(Cl)s2)cc1OC 1537071878 DUXUONIBUKZYQV-UITAMQMPSA-N 429.929 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1nc2c(s1)CCCC2 1539029442 IWQBPNSXXRSRLN-IBGZPJMESA-N 449.624 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2c(CC)cccc12 1539036020 XGQSEADYZDHNAD-KUWBRRTOSA-N 447.627 4.941 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1539132610 OQHREHICMQBDJE-BGYRXZFFSA-N 426.992 4.757 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1539520492 TUOGOPQPPNPHEN-PMACEKPBSA-N 447.048 4.529 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(CC)o1 1539521243 ZBZRWAUUXJIUCT-NRFANRHFSA-N 438.572 4.871 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1539813103 YGCISRBGKLQDLM-OAQYLSRUSA-N 449.407 4.520 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[S@@](=O)C(C)(C)C)CC1 1539874947 RXRDPXXZOXUBGU-NMEJYPJZSA-N 448.608 4.507 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(F)c(Cl)c1 1539975059 ZEVBHUOGXPQMIU-UHFFFAOYSA-N 430.959 4.925 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1540119311 IJWSQWIPRKKOAU-ATIYNZHBSA-N 438.616 4.982 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCC1(OC)CCC1 1540127512 GDTSPVITUVBYKA-JOCHJYFZSA-N 435.572 4.543 30 10 IJEE C=CCc1cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc(OC)c1OC 1540582768 XEAGFVXVLRECDO-OAQYLSRUSA-N 428.960 4.653 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCc2c(F)ccc(F)c2C1 1540855281 LIKIMZBVACAUAE-UHFFFAOYSA-N 437.313 4.796 30 10 IJEE C=CC1(CC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CN(C(=O)OC(C)(C)C)C1 1540926016 SRKUNTDNFOXYFQ-UHFFFAOYSA-N 449.551 4.999 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1 1542326402 CKJLGIIJVFRREL-MHZLTWQESA-N 448.563 4.854 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)s1 1546342470 DXWQWKSYNIPFFM-UHFFFAOYSA-N 426.615 4.614 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1546688064 FSKBQKKJNPQADE-FQRUVTKNSA-N 434.632 4.954 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccsc1)N(C)C 1547127319 HWYVPTIFSGIIGG-JOCHJYFZSA-N 434.613 4.808 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c(Cl)c1 1558644155 XHUJONNWUHHHFO-UHFFFAOYSA-N 447.878 4.779 30 10 IJEE C=CC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F)C(=O)OC 1559325686 WKYDCPZDIGNCJB-KRWDZBQOSA-N 434.439 4.614 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 1564913780 UFDHEKFBGTVZCU-XZOQPEGZSA-N 427.589 4.797 30 10 IJEE N#Cc1ccc(F)c(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c1 1565583271 CVRRVGHJXOHAAT-UHFFFAOYSA-N 432.430 4.679 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)cc1 1567204245 INJPACJECAVHIM-QHCPKHFHSA-N 426.582 4.642 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc2Cl)C1 1583960838 KVDZCOJCNIFUNY-HUUCEWRRSA-N 447.428 4.889 30 10 IJEE COc1cccc(Cn2ccc3ccc(NC(=O)[C@@H](C)Oc4ccc(C#N)cc4)cc32)c1 1583998490 BJSGAUNWDIVQEX-GOSISDBHSA-N 425.488 4.976 30 10 IJEE C=CCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1587111447 PKLRGTVBYFNPAE-VWLOTQADSA-N 426.516 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCCN1CCCC[C@H]1C 1587668427 ZGCRCBSORGQUER-DHIUTWEWSA-N 437.632 4.586 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCc1sc(C)nc1C 1588185997 PPYVQZXDFTWDTI-QFIPXVFZSA-N 431.609 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@H](CC)C1 1589504386 ICLFOTMSNVOSCA-LZKITUNOSA-N 448.970 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(Br)cc1 1589658064 RKXZCECUXIMWEK-IBGZPJMESA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H](OC)C(C)(C)C 1595120037 KVUBXHKVJSHGEQ-OAQYLSRUSA-N 439.629 4.888 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1595434520 DJSJOIIKGBFGEE-APWZRJJASA-N 431.378 4.965 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)N2CCCCC2)C1 1595705638 CJVNBDRTPPPCBF-LJQANCHMSA-N 444.023 4.644 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)C(=O)OCC 1596777409 AQVCZPPVKPVLHW-HXUWFJFHSA-N 427.884 4.816 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1606951597 HTWUACLYGUOSJK-GOSISDBHSA-N 434.629 4.597 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCC[C@@H](F)C2)nnc1-c1ccc(Cl)cc1Cl 1611069142 BIQKMPHWFFLIQV-KGLIPLIRSA-N 443.375 4.927 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 1613117725 AMFRWNUUKUKLKH-LJQANCHMSA-N 440.590 4.919 30 10 IJEE C=CCn1c(SCCCOc2cccc(C#N)c2)nc2sc3c(c2c1=O)CCCC3 1613283785 LVGVQKNXZBCBQE-UHFFFAOYSA-N 437.590 4.956 30 10 IJEE Cc1nn(C)c(NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)c1C#N 1617078691 FJBUMQFUVSWOHK-UHFFFAOYSA-N 439.306 4.562 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C 1618139534 AYKBVPYAKOFMBU-IBGZPJMESA-N 432.973 4.963 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3O)cc21 1627746642 OINREBWLXQEAMS-PMACEKPBSA-N 431.323 4.651 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)[C@@H]3c4cc(Cl)cc(Cl)c4C[C@H]3O)cc21 1627746645 OINREBWLXQEAMS-WOJBJXKFSA-N 431.323 4.651 30 10 IJEE C[C@@H](Nc1ccc(C#N)c(Br)c1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1642188724 JCMNZAVJXFTSOC-TZMCWYRMSA-N 426.330 4.907 30 10 IJEE COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2=O)c1 1642684671 BEALQWDRARIEFV-WXTAPIANSA-N 441.531 4.699 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1 1643427594 UFXUUTVJBVHBOJ-SFHVURJKSA-N 435.593 4.853 30 10 IJEE COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1 1644241111 FFBLADVOURDTRZ-VOIUYBSRSA-N 448.544 4.579 30 10 IJEE C=CC[C@@H]1N(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2)CCCC1(C)C 1645453002 CDOLCCXQEBZZLF-PZJWPPBQSA-N 445.991 4.578 30 10 IJEE N#Cc1ccnc(N2CCN(Cc3ccc(-c4ccccc4Br)cc3)CC2)c1 1652092916 BOZOGSDOCXOYBA-UHFFFAOYSA-N 433.353 4.705 30 10 IJEE C=CCn1c(SCc2ccn(CCc3ccccc3)n2)nc2sc(C)c(C)c2c1=O 1652447144 GSFKUWRYIWFKEH-UHFFFAOYSA-N 436.606 4.992 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 1654239321 HOQNRODOIXFOOO-OAHLLOKOSA-N 426.925 4.927 30 10 IJEE N#C[C@@H](C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccccc1 1656355137 COKCTVPKIGHJNU-HXUWFJFHSA-N 445.935 4.951 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 1656828451 OKYSYFFJYGJOTC-UHFFFAOYSA-N 441.203 4.560 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(Br)cc(OC)c1 1656937591 WOUXGSUALDFJIV-UHFFFAOYSA-N 439.147 4.522 30 10 IJEE CCOc1cc(CNc2cc(F)cc(C#N)c2)ccc1OCC(=O)N(C(C)C)C(C)C 1657816987 HUSBQIJKIAENCS-UHFFFAOYSA-N 427.520 4.732 30 10 IJEE CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1ccc(Br)cc1C#N 1658219522 BKVDFJQKHWRQAN-UHFFFAOYSA-N 428.252 4.682 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)CC1 1658921325 XQGFWDTXGJYIDM-UHFFFAOYSA-N 439.874 4.812 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)c1 1662983291 WVCAAUSDZLSEQR-QFIPXVFZSA-N 428.598 4.576 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 1666384671 ZXJFFDRCFOOKKG-QFIPXVFZSA-N 448.592 4.956 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1)c1ccc(Cl)cc1F 1667506058 DRSJVALPIVTEOP-YCRPNKLZSA-N 427.907 4.990 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 1669537060 QYMCQGWEMFJGNM-MRXNPFEDSA-N 426.488 4.688 30 10 IJEE CC(C)CCOc1ccc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(F)c1 1672747230 COMAZLAFDKDILE-UHFFFAOYSA-N 438.547 4.908 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)Nc1cc(Br)cc(I)c1C 1673499491 RBVDUUBTAIOCMV-GFCCVEGCSA-N 449.130 4.935 30 10 IJEE CC1(C)C[C@H](NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c2cc(F)ccc2O1 1674153033 BIVQWVCHQZMLNE-LBPRGKRZSA-N 428.348 4.954 30 10 IJEE Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1S(=O)(=O)C1CCCC1 1677783342 FBVRCHJRVPPHAS-OAQYLSRUSA-N 425.554 4.878 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)[C@@H]1CCCc2ccccc21 1681717256 RELOIYUUBZSSOS-FTJBHMTQSA-N 433.596 4.799 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCCN1CCC 1690033527 ZSPADCXLKRAMNQ-LOSJGSFVSA-N 431.628 4.547 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCN(C(C)C)C(C)C 1690089843 OKCFVYGKQQXZGS-UHFFFAOYSA-N 448.590 4.546 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)CC1 1690161563 JTFIKHUMOLLPMP-UHFFFAOYSA-N 433.419 4.619 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)C1CC1 1690240084 BNHMQNQKAVPZHH-WMZHIEFXSA-N 440.588 4.711 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690353021 XCJWECBFNGXXLR-UTKZUKDTSA-N 432.996 4.903 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1690413257 MHTAEGIRUUICSM-UHFFFAOYSA-N 434.506 4.931 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690486548 LYSHCKGASZZXRM-HXUWFJFHSA-N 445.007 4.510 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1CCCCC1 1690561323 LOZRLFVZTISASC-UHFFFAOYSA-N 426.568 4.908 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1690744075 JJFPLJABWYAFLR-QFIPXVFZSA-N 426.630 4.995 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 1692369396 CXOTXXUBHYSPRQ-RTWAWAEBSA-N 434.632 4.810 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@@H](C)C1 1693611158 CPKVQGUNJXQRRI-QYZOEREBSA-N 444.624 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOCC(C)C 1705479528 MXVINPDWHYKJMV-GOSISDBHSA-N 437.613 4.898 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)N1CCC(C)CC1 1705668401 LBMFDYJEQWHZDW-RWCIVJTCSA-N 433.644 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N(C)C 1705670589 AZBHHJBDHWLEPA-WMZHIEFXSA-N 441.938 4.626 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1cccc(Cl)c1 1705698956 ATQYMPDPWQAJNP-GHTZIAJQSA-N 430.980 4.695 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CN(C)CCCC)CC1 1705723870 AMIRNYXUDXFLST-UHFFFAOYSA-N 434.632 4.961 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 1705741576 TUAGYOGICCZFED-TZIWHRDSSA-N 437.632 4.882 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(CCOCC)CCC2)CC1 1705766021 KIAUPNDCVJBDNB-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1705784796 JKRXIRVNKLBWLV-HYBUGGRVSA-N 442.579 4.850 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1705785162 YHZTZJYLPLFPFU-QPPBQGQZSA-N 428.552 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705792546 VPLZEHITNZAUIP-SFHVURJKSA-N 442.604 4.540 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCSC1 1705857365 DNSUBTYHZKHMIN-NRFANRHFSA-N 426.630 4.965 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1c(CC)noc1C)C1CC1 1705858693 SLFGTWBZBQHWLU-UHFFFAOYSA-N 427.936 4.572 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCCCO1 1705879099 MSAAHPMZKCMNNE-QFIPXVFZSA-N 431.540 4.604 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC(F)F)c(F)c2)C1 1705925212 MMTLICINRZIDMD-QGZVFWFLSA-N 436.478 4.506 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705942448 SIZGHZQXLOTKHH-ROUUACIJSA-N 425.602 4.529 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)SC 1708672557 COCUHSJJXKZGAD-SFTDATJTSA-N 439.629 4.601 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1709292548 GXCCRGYISMDTJX-RUZDIDTESA-N 433.556 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cc2ccccc2o1 1722503012 XITRDYHLUBWBJB-VWLOTQADSA-N 438.572 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCC(F)(F)C1 1722512834 MNQVBYNQTRKIFO-MRXNPFEDSA-N 435.519 4.624 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(C(C)C)CC1 1722520573 ZITKXCPLWBKCBW-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCS2)CC1 1722572044 JWIQVGWNINARME-OALUTQOASA-N 447.649 4.792 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1722615123 IJFZBLCTOHWJDF-JOCHJYFZSA-N 426.561 4.542 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1Cc1ncc(CC)s1 1722673277 NAMVVPPFZVIGRV-UHFFFAOYSA-N 432.597 4.586 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)OC 1722674392 CAWSKODAXDDLHH-LJQANCHMSA-N 431.540 4.665 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722681753 ROMUTEBZUZJPEJ-IEBWSBKVSA-N 440.485 4.940 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1727707987 AUTQWQKZNNZLJS-PKOBYXMFSA-N 447.505 4.537 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2)C1(C)C 1728919121 FOBMIWSDRXNBGB-QHAWAJNXSA-N 439.629 4.742 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1740591656 UWLXOMFDIYBMMB-NRFANRHFSA-N 427.980 4.667 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@@H]1C 1740661772 JJUVBKQABJLBDS-VQTJNVASSA-N 444.023 4.796 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)C1CC1 1740753650 MOFCVUFDFJECEW-QFBILLFUSA-N 431.378 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H](C)c1ccco1 1740758769 BSWJOIPFRXNNPO-WXVUKLJWSA-N 436.556 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nnc(C)s1 1740766099 CFTBQPMECGWXQG-QGZVFWFLSA-N 426.590 4.646 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOCC2(CC2)C1 1740779503 JWERQDSAJUHWEU-UHFFFAOYSA-N 437.769 4.554 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@H]1C 1740789220 IPCBHVZIEMSOCZ-WOJBJXKFSA-N 436.556 4.945 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1740789790 KSMFERMHZQBQLN-SFHVURJKSA-N 427.936 4.829 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)CC[C@H]1C)c1ccccc1 1740853517 FLQLWZKGKORYDG-TUNNFDKTSA-N 444.583 4.910 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1740877955 DPZQNYQVHAHFGA-UHFFFAOYSA-N 439.604 4.748 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@](C)(O)[C@H](C)CC 1740904454 LXNRSXKCTPHRAH-VLIAUNLRSA-N 427.376 4.583 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1740906227 MQWIDAJYTQDHJR-KSSFIOAISA-N 438.906 4.651 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCCCC1 1740928771 UXDBPUWXHDHHMH-UHFFFAOYSA-N 449.368 4.720 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1(OC)CCCCC1 1740935492 NNKOKZZATGULDA-QHCPKHFHSA-N 438.616 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[C@@](C)(CC)O2)C1 1740974080 INXXCLYZXWUASK-ZRCGQRJVSA-N 430.980 4.728 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2CCCC2)C1 1740975261 UFPJUAAEWQRGMW-LJQANCHMSA-N 431.378 4.679 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1nc(C(F)(F)F)cs1 1741516024 DUYJMWZCYHLKJU-UHFFFAOYSA-N 449.506 4.630 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)CN2CCCCC2)cc1 1742292476 FLQNGAUPAKIYMB-SFTDATJTSA-N 440.661 4.597 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1748724025 HPVCUEDJIKKXIN-KNQAVFIVSA-N 447.410 4.989 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1ccc(C)cc1OCC(F)(F)F 1748892649 UKTONYWGSGPNRB-UHFFFAOYSA-N 446.517 4.627 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)OCC 1748914505 KLHXBMQBYPCNGC-UHFFFAOYSA-N 439.785 4.636 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CC(C)C)C1 1749029287 QJUJHDFXCVFNRM-KRWDZBQOSA-N 447.446 4.946 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC)CC1 1749133157 IGSDOJILSDHXRF-FDDCHVKYSA-N 430.543 4.755 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C2CCCC2)CC1 1749251500 GJLJMEISQYWJKG-SFHVURJKSA-N 447.986 4.764 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1749394987 ATTRPNYPQLULFC-UHFFFAOYSA-N 445.489 4.743 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C)CCC2)C1 1749695775 JDVUZTAWQMWRCT-AWEZNQCLSA-N 437.407 4.741 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1749751549 YOPFBAJLCJNBOI-GCJKJVERSA-N 437.613 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(OC2CCCC2)nc1 1760107739 XDMBKIRDZKWZDT-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1Cc1cc(Br)cs1 1760215888 RKEGFMFEJNOPAR-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 1760227503 GMWQMQPWNSXDTD-HNNXBMFYSA-N 441.988 4.913 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1ncc(CC)s1 1760318498 GLPJFGATHSKXHC-GCJKJVERSA-N 437.613 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCN1C1CC1 1760330039 QKKPMIQYWFVGFO-PZJWPPBQSA-N 441.595 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1760413264 CMBSIOWXBHWPRT-UHFFFAOYSA-N 430.666 4.556 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)C1CCCCC1 1760456871 ZAFGJIIYXBYAAP-NLFFAJNJSA-N 426.605 4.988 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H]1CCC(F)(F)C1 1760479566 TYCUEWOGQXBLNC-FQEVSTJZSA-N 436.510 4.783 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1)C(C)C 1760488537 XWZGDXGOCUWIMB-OTNCWRBYSA-N 446.643 4.998 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760506824 OQLMAOHQYBJHCR-JRGCBEDISA-N 428.552 4.917 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2nc3cc(Cl)ccc3s2)C1 1760544364 YLNJGZSNEYKUSD-MRXNPFEDSA-N 431.993 4.569 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)C[C@@H]2CCCO2)on1 1764069462 FIBRVFGHOJPGPY-NRFANRHFSA-N 448.571 4.762 30 10 IJEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)cs1 1764621501 GZUNDPDNLVWEDR-KRWDZBQOSA-N 434.613 4.951 30 10 IJEE COC(=O)c1ccc(/C=C2\SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1 1772733134 HJZKWUCMVREGEO-UYOSNAKGSA-N 427.551 4.866 30 10 IJEE COc1ccc(C=NN=C2S/C(=C\c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 1772758012 NSVAZYONSXKEMP-KGXKECERSA-N 447.516 4.803 30 10 IJEE CSCc1ccc(C(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)cc1 1858910191 XJENAIQPNSYIAP-UHFFFAOYSA-N 431.517 4.962 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1C#N 1860632375 KMSYVPRVOUIAFQ-UHFFFAOYSA-N 434.565 4.889 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 1861816444 YNJCAGJZWJEJTO-JOCHJYFZSA-N 425.529 4.851 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1862444039 WOIQKBSAJDBZKC-OAQYLSRUSA-N 443.927 4.831 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 1862473596 CQEOFWNPQMOCNY-QHCPKHFHSA-N 438.543 4.834 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)ccc1F 1862503504 YSJNVYMADFIGGA-NRFANRHFSA-N 436.870 4.961 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862559464 OSHNYVRDFGWVDL-HSZRJFAPSA-N 433.552 4.636 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccccc1F)c1cccc(O)c1 1862591366 XGOMOJVLWQJNAW-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2c(Cl)cccc2Cl)cc1 1862622990 JISJUFIPKNRBRQ-IBGZPJMESA-N 448.346 4.862 30 10 IJEE CN(C)c1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862798373 IRGPEJNFQUJFPR-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE COc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 1862903987 ZTSYNXVRWWNSKB-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863076439 NTSQAHRPRABVHK-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(C)cc1 1864259964 PGCPNBLZPHZXQG-NRFANRHFSA-N 442.563 4.511 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cc1 1867185490 VWZDNHBCARZDHV-QRWLVFNGSA-N 429.973 4.582 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CC(C)(C)C)CC2)nc(-c2ccc(OCC)cc2)n1 1869325858 UZPLYFQZHFZVJK-UHFFFAOYSA-N 449.643 4.889 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)CSc2ccccc2)cc1 1870159984 DMIAGTSKTGREII-UHFFFAOYSA-N 425.517 4.845 30 10 IJEE COc1ccc([C@@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1OC 1871354082 GPJWGAUHEZTRRZ-HQXWYHRWSA-N 433.460 4.826 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871442183 DEHRJEACLJCXAW-MFOYZWKCSA-N 426.881 4.739 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)c(OC)c1 1871453505 BRNOIKWCJLVSJZ-MSXFZWOLSA-N 445.471 4.646 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871885854 GIYVLTQTYCJABP-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 1872065222 QZHDLBMQBVVEAI-NRFANRHFSA-N 436.524 4.647 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)c1ccccc1)S(=O)(=O)CCCC 1872067448 WBHHOSYVMHQDPG-JOCHJYFZSA-N 432.561 4.822 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872088672 XOGJZGKIGCPJJI-BTYIYWSLSA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1872224129 FFDBWQZLTVBBIQ-SFHVURJKSA-N 426.991 4.632 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872225538 NZIZRJBKVIFWQE-QGZVFWFLSA-N 426.991 4.632 30 10 IJEE CC(C)C[C@H](C(=O)[C@H](C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872770952 ISIQNIYUTUPQIF-FUHWJXTLSA-N 449.557 4.759 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)cc1C)n2CCC 1873612805 LWBJDHYPPJGRCP-UHFFFAOYSA-N 428.334 4.762 30 10 IJEE CCCCCCCCCCNC(=O)CC[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O 1873936917 SIDJIRGLNMQYMB-GOSISDBHSA-N 441.494 4.566 30 10 IJEE CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874206991 CGAIOIIBWBKNBR-XYCMHOAJSA-N 447.608 4.696 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(OC)cc1 1874241645 RFLBFIZFAVIUHI-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc(OCC)c1 1874297139 MITNNNGNOCNVGP-OEAKJJBVSA-N 437.525 4.726 30 10 IJEE COc1cc(/C=N/n2c(COc3c(C)cccc3C)nnc2SC)ccc1OC(C)C 1874298902 YTVNHBWATUHBPI-ZMOGYAJESA-N 440.569 4.874 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874330349 QECIYFTVMDFFNW-AFUMVMLFSA-N 434.565 4.929 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(SCCCO)nnc2[C@@H](C)c2ccccc2)cc1 1874401707 TXBWHXSSXXVAAB-YSRPOPIVSA-N 437.613 4.633 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874401978 BVOASHCUPMSBQF-PCLIKHOPSA-N 444.520 4.541 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccco2)c1 1874406705 PIFNDLPORQDPPJ-BUVRLJJBSA-N 437.569 4.915 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874409296 PHUATPUZHZHLFH-SSDVNMTOSA-N 441.384 4.855 30 10 IJEE CC(C)(C)Cc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccs1 1874440000 DMZOZMNNJHBXLF-WSDLNYQXSA-N 438.582 4.752 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2C)o1 1874466662 UQTTXVQKAABEPW-YDZHTSKRSA-N 436.493 4.791 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)cc1 1874570947 PRJRPUCXVWDMER-YDZHTSKRSA-N 430.961 4.739 30 10 IJEE Cc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874597167 XPPQENHSJGPSKZ-PKNBQFBNSA-N 429.472 4.680 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 1874603707 ASQOEXBVPGQNLY-UKTHLTGXSA-N 436.508 4.617 30 10 IJEE CCCNC(=O)COc1c(OC)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1874629210 RDIGAWHAUKLPRG-MDZDMXLPSA-N 439.552 4.739 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OCC 1874634184 OXYMICTYNMHIGP-VQHVLOKHSA-N 445.943 4.857 30 10 IJEE CCCCCCCCC(=O)NCCCc1nn2c(Cc3ccccc3F)nnc2s1 1874795023 BTVITMKXZBPETQ-UHFFFAOYSA-N 431.581 4.715 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)c1 1875102390 SUZBVRGATHCQDC-PKNBQFBNSA-N 435.407 4.787 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCOC)c(OC)c2)cc1 1875106771 JZYPBXDUQNLSFC-JLHYYAGUSA-N 426.509 4.884 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)C3CC3)c([N+](=O)[O-])c2)cc1 1875138328 MELOKJGQHWHSOW-LFYBBSHMSA-N 439.464 4.994 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875151037 RAQXEFIRDHGIOT-SOFGYWHQSA-N 441.436 4.570 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)cc1Br)Cc1ccccc1 1885610461 LTLXFQPFDIFIOD-UHFFFAOYSA-N 444.329 4.697 30 10 IJEE O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCC#CCN1CCCCCC1 1891344846 ZHTTWZURXZXHPL-UHFFFAOYSA-N 441.575 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cncc(CNC(=O)OC(C)(C)C)c1 1922116499 QUXXLIVSPZODED-HSZRJFAPSA-N 425.573 4.920 30 10 IJEE C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)N(C(=O)OC(C)(C)C)C1 1963656282 QGAIPCGPAKFVEN-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE C#CC[C@@H](CC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2020047595 ORKNJJYXSNKDQM-NVQXNPDNSA-N 425.569 4.839 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083815217 CEIGOGJVXSBKKV-ATIYNZHBSA-N 444.616 4.552 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2118206069 VQRSUOLCJSRNMY-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(COc3cc(Br)cnc3C#N)CCC[C@@H]12 2198820616 SEUYODAJOWSYLB-XLIONFOSSA-N 436.350 4.664 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(Oc1cc(Br)cnc1C#N)CC2 2198833307 FDWIWCSDROEFMN-LMVFOVOHSA-N 436.350 4.568 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)C#Cc1ccccc1Br 2235719651 BCRAFFWJXHXASE-QZTJIDSGSA-N 434.374 4.899 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2235720641 PUSOQOVQCVVYTD-GOEBONIOSA-N 449.311 4.624 30 10 IJEE CN[C@H](CC#CC(C)(C)C)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237423202 JAUJTTMGBSZQMY-RTBURBONSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2258098607 CWKWDBHTTVRDMV-OBYFODJCSA-N 448.568 4.900 30 10 IJEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2282520775 SSKIBPZVRHGMPX-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1cncc(NC(=O)OC(C)(C)C)c1 2296220452 YIBDXCXPKAGGIM-IBGZPJMESA-N 430.346 4.893 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC1CC(CNC(=O)OC(C)(C)C)C1 2296222968 XTUIJSJGLUVPHB-AFMYVXGZSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCCN1C(=O)OC(C)(C)C 2296290234 AEWMPBMOFQGVMS-VQTJNVASSA-N 435.406 4.958 30 10 IJEE Cc1csc(N=C2SC(=C3C(=O)N(C)c4ccccc43)C(=O)N2c2ccccc2)n1 2314543308 AHZUSIRHPLBREU-UHFFFAOYSA-N 432.530 4.607 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cc2ccccc2n1C 2321799370 YYBFFUIAYQDXNB-UHFFFAOYSA-N 434.525 4.805 30 10 IJEE COc1ccc(OCCCc2nnc(S)n2N=Cc2c(Cl)cccc2Cl)cc1 2322223628 BIOWKWCHBQSGJR-UHFFFAOYSA-N 437.352 4.776 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2cccc([N+](=O)[O-])c2)cccc1OC 2322312367 XNOIFXSAQMAQGT-UHFFFAOYSA-N 440.496 4.527 30 10 IJEE CCCN1CCC(=O)C(=Cc2cc(Br)c(OCC)c(Br)c2)C1 2323865408 YJSYRHWNEIPJHI-UHFFFAOYSA-N 431.168 4.679 30 10 IJEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)ccc1F 2323972680 FWUQRVNPOSGDOG-UHFFFAOYSA-N 448.450 4.634 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3F)c2)c(OC)c1OC 2325787046 BBVBNIUAFZAYGY-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1cccc(OCC)c1 2328264222 ZWTSSHFFANUHDL-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330118878 GFXUDPIOMFTZQE-CYBMUJFWSA-N 449.363 4.884 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)cc1O 2330583297 FQMNAFOJRVDSNY-UHFFFAOYSA-N 426.498 4.731 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1O 2330993550 YFUVNGBCHWVVOJ-LJQANCHMSA-N 444.944 4.672 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(SCCCO)nnc2C(C)(C)C)cc1OC 2331406564 ZQYLZZCGSZAUAS-UHFFFAOYSA-N 448.633 4.900 30 10 IJEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c(O)c1 2331418047 CATFDZNKIZBMPL-UHFFFAOYSA-N 434.924 4.954 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C2CCC2)cc(OC)c1OC 2331519480 FNXOVFMNGJYSIQ-UHFFFAOYSA-N 438.553 4.746 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CC(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339576261 GFHMRRVITSUITJ-UHFFFAOYSA-N 447.360 4.534 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339598941 JTYKXNPABJNATI-NGBXFXMPSA-N 444.381 4.941 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NCc2cc(Br)ccc2F)OC1(C)C 2364899697 HOHDMSHCCSNTNT-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE C=CCC(CC=C)[C@@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366641763 KIZURNSDARGKGZ-ZIAGYGMSSA-N 425.763 4.786 30 10 IJEE COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)/C=C/c3ccccc3)c(OC)c1)C2=O 8823853 KXGWGJQGPSSJHA-KFPJOJFPSA-N 428.440 4.939 30 10 IJEE C=CCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 35420792 XVZQWELXZDFBAH-NGHDKMLMSA-N 444.512 4.890 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(OCC)c1 40076797 VVPPFSPDBVBMQM-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1 40825075 PQHFLRNVBDKHBG-VFCFBJKWSA-N 446.576 4.853 30 10 IJEE COc1ccc(/C=N\N=C2\S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)cc1 47137573 AFBZLDUCXXIVJW-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE CC[C@H](/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H]1OC(=O)c2ccccc21 48548045 OKDODCRMNCLQOW-GIGIUCTFSA-N 448.544 4.616 30 10 IJEE CCN(CC)c1ccc(NC(=O)CSc2nnc(NN=C3CCCCCC3)[nH]2)cc1 59311176 FKNUUKWLKQZERE-UHFFFAOYSA-N 429.594 4.504 30 10 IJEE CCOc1cc(Cl)c(/C=C2\S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 59598519 YPUGYEKMGPAKJC-MBCVIIHWSA-N 446.912 4.679 30 10 IJEE O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(OCc2cn3ccccc3n2)c1 105721423 SEWMEKVIEWSASJ-UHFFFAOYSA-N 444.494 4.960 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2-c2ccco2)ccc1OCc1ccccc1F 169913274 SYJIYWLDBHYVFC-CFRMEGHHSA-N 438.484 4.826 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2Cc2cccs2)c1 169928328 QJTGIWTUUMFDTO-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170025083 BGAPCAUTXGCBFA-NRFANRHFSA-N 436.870 4.695 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1cccc2ccccc12 170046098 NBRFNHYLDJUVFG-DEOSSOPVSA-N 445.515 4.772 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)ccc1F 170063588 HUGAUPYAPDSMJL-JOCHJYFZSA-N 430.410 4.928 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C)o2)c(C)c1 170100191 FFYUBWIHEAFCMC-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)c1 170172307 PNLRKTMJKBKSLW-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)cc1C(C)C 170177958 WWNUDXBXKAZXCA-JOCHJYFZSA-N 432.476 4.585 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccnc2)cc1C 170190147 FCJXTJNLOCJPRB-HSZRJFAPSA-N 444.487 4.586 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)c1 170200086 RUDDHSRHHNMPJO-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)c1 170251549 PWPKQAVGHWLXBD-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2C)cc1C 170270615 ZLMKPQNYFSBZRU-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)c1 170279182 ANWAGBVMORQYQV-QHCPKHFHSA-N 445.471 4.786 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(OC)c(O)c1 170322573 MZEYQEYPCWHUHH-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cn(C)c3ccccc23)c1 170394195 APBZZPKUIGJATD-JOCHJYFZSA-N 428.444 4.563 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccccc2OC)ccc1OC 170440979 YODDILDKRYKJFI-QHCPKHFHSA-N 439.508 4.618 30 10 IJEE C=CCn1c(SCC(=O)C(C)(C)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 475958066 NDRCSFSYMWIUPL-FQEVSTJZSA-N 435.549 4.616 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(C)nc(-c2ccccn2)n1 481834258 BIQPFYAUHCKMHC-UHFFFAOYSA-N 430.537 4.663 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(OC2CCCCC2)CC1 508813496 OZCRPORNCKXNNS-UHFFFAOYSA-N 448.409 4.550 30 10 IJEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 526743807 FFOVWSGOVSEHFI-QFIPXVFZSA-N 449.409 4.673 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc([C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)c1 547062140 BDQHUELREDMTNI-SJORKVTESA-N 429.398 4.822 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 549251216 PVAODDMHQWCFLT-PKOBYXMFSA-N 445.995 4.533 30 10 IJEE N#Cc1cccc(CN(c2ccccc2F)S(=O)(=O)c2ccc(Br)cc2)c1 586206960 GUHKABZVTLWZRA-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698859520 HFPXARUOTBDDPS-IMWIBFENSA-N 431.577 4.709 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 744029168 PPOAJUMAWKLAHI-QFIPXVFZSA-N 447.579 4.891 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1c(F)ccc(Br)c1F 785213374 FLTGWACNPGMPQS-NSHDSACASA-N 444.297 4.549 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)cc1 1084309865 RCYHEJGSKTUJHN-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE C=CCCC[C@@H](C(=O)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1125590360 LTIVVDFJCLRUPK-HSZRJFAPSA-N 427.566 4.907 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C(C)C)C2CC2)c1 1131277854 QIEQNGOUFSNFBR-JOCHJYFZSA-N 447.000 4.886 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1154224048 QMFXXIRXWYSSPF-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1C#N 1158939891 FXPUKWVHXMQLAD-HSZRJFAPSA-N 441.531 4.715 30 10 IJEE C#C[C@H](Nc1ncnc2scc(-c3ccc(Br)cc3)c12)C1CCOCC1 1163759302 ICZARLHSXBGYRJ-KRWDZBQOSA-N 428.355 4.961 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nc2sccc2c1=O 1164611433 PCWUEXRBWJPOEX-CQSZACIVSA-N 441.361 4.957 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NCc2cccnc2N2CCCC2)cc1Cl 1166209840 GREQLEVWVUMCAJ-UHFFFAOYSA-N 432.911 4.929 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c12 1171921062 QYKSGXOMSQYDGY-IRXDYDNUSA-N 429.586 4.753 30 10 IJEE C=CCn1c(SCCCS(=O)(=O)c2ccc(C)cc2)nc2sc(C)c(C)c2c1=O 1188225535 JYLXGEDHIDBDSR-UHFFFAOYSA-N 448.635 4.525 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1211823045 GRFQKIXLDPWXJR-UHFFFAOYSA-N 444.532 4.557 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc2sc(C)nc2cc1OC)c1ccc(Br)cc1 1215075365 RNOUVULRTRLXIX-CQSZACIVSA-N 430.327 4.872 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCCOC)c(Br)c1)c1ccc(Cl)cc1 1220297973 UMYWBPTVJXTEGU-QGZVFWFLSA-N 437.721 4.624 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)[C@@H]1CCCc2ccccc21 1221213432 TXITWHHSNHZDKH-FTJBHMTQSA-N 445.607 4.945 30 10 IJEE C#CC[C@H](NC(=O)NCc1cc(Br)ccc1Br)c1ccccc1 1230566614 VDOSZITXIDNRQK-KRWDZBQOSA-N 436.147 4.775 30 10 IJEE C=CCCC1(CNC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CCCC1 1230926076 DVVGBPPLAKHKQK-QGZVFWFLSA-N 429.552 4.705 30 10 IJEE Cc1c(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nn1C 1264095885 HUOGCEUKSYZWGW-LLVKDONJSA-N 435.391 4.828 30 10 IJEE C=CCN(C(=O)c1cc(Br)cc(C)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1269213973 CVXYLAVKRKLFJD-NRFANRHFSA-N 444.369 4.869 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(OCC(=O)NC)c(OC)c1)c1ccc(Cl)c(Cl)c1 1270228344 LPYNSNFBFQOJCX-KRWDZBQOSA-N 438.307 4.601 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc(OC)c1OC 1277464826 JVBFAIJEFCKSOR-AYOQOUSVSA-N 431.573 4.555 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCCc1nc(C)cs1 1286277370 COHLDTWRGRWXBC-MSOLQXFVSA-N 441.576 4.803 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC1CCCC1 1286278590 DYOBOUGCVFXWGE-MSOLQXFVSA-N 426.630 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCCO1 1286279729 XDRZKOXWDFQITA-CMKODMSKSA-N 430.980 4.715 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1nc(C)cs1 1286306441 VBJPYEUNSHAVOD-FUHWJXTLSA-N 425.627 4.905 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1occc1C 1286405733 JLCDCNANJSDDQY-UHFFFAOYSA-N 430.508 4.835 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](OCC)C1CCCC1 1286451793 BFOXNQMNYOHPRO-BHIFYINESA-N 430.637 4.642 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1C1CCC1 1286498093 AFXKQAARZMISRQ-LJQANCHMSA-N 445.430 4.843 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)Cc1scnc1C 1286558891 RSIUDYQVCFNNQH-NZQKXSOJSA-N 437.613 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1286582708 CMSQRLDRRMEDDI-YFNKSVMNSA-N 437.632 4.833 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1)c1ccccc1 1286619284 QGYMXEUJNLVBOL-DEOSSOPVSA-N 449.643 4.857 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)CN(C)C)CC1 1286660458 MBSDRKQPVNUHRK-UHFFFAOYSA-N 434.588 4.590 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1286688549 ZDUDCWOOPCVEIU-UHFFFAOYSA-N 434.588 4.666 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C)c1c(C)noc1C 1286760572 OTAAWEOYMYNKNQ-IBGZPJMESA-N 442.567 4.984 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1286834563 ILRQHWZKOYVLAA-IBGZPJMESA-N 441.670 4.991 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC1CCCC1 1288505700 BCBXUEDXAQXMDB-QGZVFWFLSA-N 442.995 4.570 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2 1289131304 ZHCZDBPXMOAWRM-LBPRGKRZSA-N 438.578 4.753 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1occc1C 1300316662 BCOONLYYCOMHPB-GOSISDBHSA-N 426.948 4.659 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](SC)C(C)(C)C 1300439498 DVFJPWLOSOAIMI-INIZCTEOSA-N 439.398 4.694 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1csc(C(C)(C)C)n1 1300472529 CJSOEMCPYNPHAF-UHFFFAOYSA-N 437.613 4.540 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCc1sccc1C 1300641489 ASBCRJZBJBWYCG-UHFFFAOYSA-N 431.540 4.732 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1300890662 VXRZYHORGUPTOZ-RCZVLFRGSA-N 438.616 4.850 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2nnc(C)s2)CC1 1301066967 UVFPZEYPTPWPEV-MRXNPFEDSA-N 442.564 4.506 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN2CCC)CC1 1301109601 MJYXFQGCMVVGGJ-FPOVZHCZSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1301177379 YXASGZBYFNUCHX-QHCPKHFHSA-N 427.524 4.539 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1F 1301222269 UHKZMJRKWBXBGZ-LJQANCHMSA-N 449.578 4.755 30 10 IJEE C[C@H](NC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1303794641 AJDLKJVHINEJOD-FNZWTVRRSA-N 445.615 4.543 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1304076856 FZVHPXUXUZRDIA-BGYRXZFFSA-N 446.599 4.723 30 10 IJEE C=CCc1ccc(OC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)c(OC)c1 1353763188 RUVYVAQDLDICEX-UHFFFAOYSA-N 436.533 4.603 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)s1 1355492535 FEFUTPMKYVHRNO-UHFFFAOYSA-N 444.409 4.833 30 10 IJEE CCn1cc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 1358016508 CFDZZGFCGKRUGJ-UHFFFAOYSA-N 443.276 4.508 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CC 1358899527 PAJSJMULGIJIKR-PKOBYXMFSA-N 432.037 4.556 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)C(F)(F)F 1359004764 IYNRPFKQOVOFIG-UHFFFAOYSA-N 438.494 4.789 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCCC1(F)F 1359073320 LTJDKEPAHXPNHQ-AUSIDOKSSA-N 428.527 4.983 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(CC)C1 1359104003 WKFIDDBLICXXOB-OUOWLKGYSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1359166799 IDAJADDOCJZSCB-JOCHJYFZSA-N 428.989 4.648 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(=O)NCCC)CC1 1359174642 JQWPECBDPLCSNX-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1359217397 YFRWEOKOROYWGL-LJQANCHMSA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)CN1CCCCC1 1359258000 CPXITEWUARDTTN-QFIPXVFZSA-N 432.616 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@H]1C 1359262012 DNDDBBZWPMALMO-KGLIPLIRSA-N 432.391 4.946 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC12CCOCC2 1359267346 DBCCYGZATUOLJM-GOSISDBHSA-N 430.499 4.542 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1nnc(C(C)(C)C)s1 1359277101 BWWRJPYEKCYEGR-UHFFFAOYSA-N 428.606 4.502 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS[C@H](CC)C2)cc1 1359308170 GLBILPRVTPFNTG-OAQYLSRUSA-N 440.638 4.875 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359346897 ZBWFCGYTQOVCRT-QBPKDAKJSA-N 446.583 4.751 30 10 IJEE COC(=O)COc1c(C)cc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)cc1C 1436545654 FTGFPGIJIAUCEH-IUODEOHRSA-N 426.538 4.727 30 10 IJEE C=CCn1c(SCC(=O)N2CCSC[C@@H]2C2CCC2)nnc1-c1ccc(Cl)cc1 1436915638 VIBFQBXXFYQHGL-GOSISDBHSA-N 449.045 4.621 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 1445633045 TXOZAZMQAIGXMG-HXUWFJFHSA-N 433.508 4.664 30 10 IJEE C#CCN(CC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C(=O)OC(C)(C)C 1446096077 OVBXKHDXYBCAMN-UHFFFAOYSA-N 439.459 4.638 30 10 IJEE C=CCC1(CNC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)CCCC1 1449434838 WBNULXWLAGSVAW-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1 1456865734 QASHTCCCSIHHJZ-ROUUACIJSA-N 447.000 4.982 30 10 IJEE CN(Cc1cccc(Cl)c1Cl)C(=O)COc1cccc(Br)c1C#N 1457743998 AGTZCYPUBSEOHD-UHFFFAOYSA-N 428.113 4.665 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1459631164 AWLFCQYUFSVBGT-CYBMUJFWSA-N 438.742 4.635 30 10 IJEE C#CCOc1cccc(Cl)c1CNCCC(=O)Nc1cc(Br)ccc1C 1461203166 PVPATFSNAPKQHC-UHFFFAOYSA-N 435.749 4.541 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c1 1465382670 MYKQIWQQPUEUAL-HXUWFJFHSA-N 443.466 4.705 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Br)cc1 1465402331 JFHQSFDWIRWJSJ-PMACEKPBSA-N 429.314 4.503 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 1465614293 WXROHBRCKFGPEY-QFIPXVFZSA-N 434.561 4.969 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCOc2ccc(F)cc21 1478438673 QWWHHQFOQBFGRC-GOSISDBHSA-N 437.284 4.949 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 1478806604 JKHGKITWBLYNKU-ZEQRLZLVSA-N 435.568 4.522 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCCC[C@H]2C)cc1 1497901277 GFDWMRWDILQDNE-OAQYLSRUSA-N 434.632 4.902 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@](C)(C#N)C1 1507557989 VBWGXBLYASHLQT-CJFMBICVSA-N 435.572 4.750 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](CC(C)C)C1 1507756778 MPHAFLNPUSYMLO-OAQYLSRUSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1cnn(CC(C)C)c1C 1507770896 RYGGAQXHDLAOGV-HHHXNRCGSA-N 444.627 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1csc(CCc2ccccc2)n1 1507816023 JYNGSTFEMPMIKK-UHFFFAOYSA-N 432.597 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCSC1(C)C 1507816398 NUDODSPQRSTWSX-GOSISDBHSA-N 428.602 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCSCC2)CCCCC1 1507819399 QPNCSZYTAAEQHO-NRFANRHFSA-N 447.693 4.674 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507837727 FBVHRMNZQDWOLY-INIZCTEOSA-N 428.886 4.970 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1507847031 DRAIVACWHXKVOX-LADGPHEKSA-N 438.616 4.824 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1507887673 SFUDDMJBZRITRL-UHFFFAOYSA-N 439.604 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1507923621 YWHPPCPLIYXLOL-UHFFFAOYSA-N 436.648 4.567 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1507928456 FMUKPYZCDCIABY-SFHVURJKSA-N 435.576 4.977 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@H]1CCN(CC)C1 1508009628 UTCCGOHXIIZFMQ-SFHVURJKSA-N 425.577 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1N(C)CCCC1(C)C 1508014648 CGHOJTIVVIHGMP-QHCPKHFHSA-N 445.615 4.634 30 10 IJEE CCC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1)OC 1514323065 BQFNTFJOGHNQLZ-IBGZPJMESA-N 446.393 4.653 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)Cc3c(C)cccc32)cc1 1520440404 QKYHMBIUGZPNLL-UHFFFAOYSA-N 436.552 4.886 30 10 IJEE C=CCN(C(=O)c1cccc(S(=O)(=O)C(F)F)c1)c1nc(-c2ccccc2)cs1 1524296375 QLMWNBOHOKCDFU-UHFFFAOYSA-N 434.489 4.639 30 10 IJEE C#C[C@@H](NC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1525054536 OFYXSGADYIHQCF-QFBILLFUSA-N 449.389 4.667 30 10 IJEE CCOc1ccc([C@@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c2ccccc2)cc1 1525251716 DPHGRJOUZREIOE-SANMLTNESA-N 436.515 4.971 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@H]2C)ccc1Cl 1526126730 JGRPWUUMICINNW-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE C=CCOc1cccc(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)c1 1526632650 RYGYVRALQGQVQW-UHFFFAOYSA-N 438.325 4.941 30 10 IJEE C#CC[C@]1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCCN1C(=O)OC(C)(C)C 1527252278 RNLUKCWCHGSGHD-HTAPYJJXSA-N 434.989 4.786 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1528305845 WFWNXLCLBPWWSQ-FYYLOGMGSA-N 440.584 4.731 30 10 IJEE CC(=O)CCc1ccc(OCCC(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)cc1 1529473869 SNEMUDJOQOKPOW-LCUIJRPUSA-N 438.593 4.887 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2csnc2-c2ccccc2)nnc1-c1ccco1 1531876179 NRTJVQXSHCMWSE-UHFFFAOYSA-N 437.550 4.969 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@@H]2CCC[C@H](C#N)C2)cc1OC 1535478671 GGRLBYUAZJDVCL-PZJWPPBQSA-N 445.519 4.855 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 1537626718 IGVQSTHADUUMGX-FYYLOGMGSA-N 426.507 4.712 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(OCC2CC2)c1 1538973814 QFFJJOZLDTVISA-AUSIDOKSSA-N 429.568 4.510 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnc(C)s1 1539053553 VCMBBRFXFFZJIF-INIZCTEOSA-N 427.549 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1CCC(F)(F)CC1 1539300884 IZPZNFREQBTFGH-UHFFFAOYSA-N 448.464 4.835 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CCCC 1539618842 BADMSIWNGSZVBI-NFBKMPQASA-N 434.588 4.943 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2cccc(Br)c2)nnc1C(C)(C)C 1539640100 DPFWOWHSQZURPD-IEBWSBKVSA-N 447.421 4.956 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)c1ccsc1 1539659110 JOFXTJWBXHNVLF-XMMPIXPASA-N 433.581 4.865 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1539694705 JYOALRZYSPFCAP-XMSQKQJNSA-N 428.577 4.570 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1539785876 FWRAQEPZUMMVSJ-OAHLLOKOSA-N 425.335 4.743 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2ccco2)C1 1539928684 FRHVXCBZVWPCCU-FQEVSTJZSA-N 431.540 4.918 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(Br)s1 1540861532 VXKSTEODBZSHOH-GDBMZVCRSA-N 439.423 4.843 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 1545446763 UVVDTPZMCCJWMI-SJORKVTESA-N 438.952 4.660 30 10 IJEE C=CC[C@@H](CO)CNC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1546310964 VRALDBJXRJFABT-MRXNPFEDSA-N 441.369 4.831 30 10 IJEE C#CC1(F)CN(C(=O)c2ccc(-n3nc(SCc4ccccc4)sc3=S)cc2)C1 1558140207 AXKPJXHSPIJTRY-UHFFFAOYSA-N 441.578 4.753 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@]2(C)Cc2ccccc2F)ccc1OC 1564024972 FDGFJPMMFDYYLO-CPJSRVTESA-N 439.531 4.822 30 10 IJEE N#C[C@@H]1CCC[C@H](OC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 1583558948 AOUOXLLBCCKMEY-QAPCUYQASA-N 446.425 4.962 30 10 IJEE CC(C)[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1cccc(Cl)c1 1583847659 CTFJNVNWNKZUGL-DEOSSOPVSA-N 447.970 4.690 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC 1586526171 ZGRSCKRTYHBSHB-RBUKOAKNSA-N 436.980 4.859 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC[C@H]1C 1588580974 BGOZDQRIPFNAMY-WIYYLYMNSA-N 449.624 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)CN1CCCCC1 1589150816 LUUQPMKIBGJHME-CAKYRVLISA-N 433.644 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCO[C@@H]1C 1589600252 YVWJNIGOFNVIJI-QRQCRPRQSA-N 447.004 4.756 30 10 IJEE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1593779578 WWYVHDIIQXZPSN-UHFFFAOYSA-N 425.334 4.571 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1593840422 HSMNUAAKDKSAHA-UHFFFAOYSA-N 428.920 4.655 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@H](CC(C)C)N(C)C)CC1 1594218551 JTZOIKZKHJYNKZ-QFIPXVFZSA-N 432.616 4.872 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C(C)C)C1 1594797553 CDIRWKFGYXZGAZ-QGZVFWFLSA-N 433.394 4.783 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 1595051207 VORSFDVDHYPREK-UHFFFAOYSA-N 443.473 4.945 30 10 IJEE C=CCSCCn1c(CC)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1595883964 DWZVSJIUYNAJJT-CYBMUJFWSA-N 431.553 4.619 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CC[C@H](C)N1CCCCC1 1613458823 CXZVFCUPQUPWJA-URXFXBBRSA-N 434.632 4.824 30 10 IJEE C=CCN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cc(Br)ccc1F 1615387707 MKOGOOOZYDDQEX-UHFFFAOYSA-N 443.263 4.816 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)s1 1631635989 GAVXAZWHOQRGTK-SFHVURJKSA-N 437.030 4.638 30 10 IJEE C#CCN(C(=O)NCc1cccc(OCC)c1OC(F)F)[C@H]1CCCc2ccccc21 1633139488 XNDSDWAWZZKGDG-FQEVSTJZSA-N 428.479 4.909 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1)c1ccc(Br)cc1 1636563342 XGFJUGDIZCPKMY-NHCUHLMSSA-N 426.358 4.736 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](C)C1 1639358779 WAAYDHXOGZDZKQ-CABCVRRESA-N 427.463 4.710 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H](CC#N)C3)cs2)cc1 1640336770 CMUBDOWQPABROG-KRWDZBQOSA-N 440.569 4.847 30 10 IJEE C=CCN(CCc1ccccc1)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 1644482725 LEFRJQIRUPZGHJ-GOSISDBHSA-N 440.609 4.861 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O 1648751368 DKARONFETZBXFN-INIZCTEOSA-N 447.709 4.827 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1 1649663311 GMXOILWTQWVBKL-RTBURBONSA-N 431.556 4.972 30 10 IJEE C#CCN(c1cc(C)nc(-c2ccccn2)n1)[C@@H]1CCOc2ccc(Br)cc21 1655142462 ASVHNGXQYHVDJE-LJQANCHMSA-N 435.325 4.573 30 10 IJEE CCCOc1ccc(CN(CCC)S(=O)(=O)c2ccc(Cl)cc2C#N)cc1OC 1659163632 AXXIFJPDFWVPRG-UHFFFAOYSA-N 436.961 4.610 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C 1662338143 HOEFBHPOPZUEJP-UUOWRZLLSA-N 434.536 4.773 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)c1 1666773819 ZFXYKEUTIGTINX-FGZHOGPDSA-N 437.540 4.954 30 10 IJEE C=CC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccncc1 1667281477 GZPIFIIKQABLEV-HYBUGGRVSA-N 442.519 4.596 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)C[C@@H](c3ccccc3)C2)cc1 1667322118 OTAVIRDYSMAPPP-CZTZKLFOSA-N 441.597 4.587 30 10 IJEE C#CCN(C(=O)NCC(CC)(CC)SC)[C@H]1CCOc2ccc(Br)cc21 1669677200 SPBCXHLPVKTYTH-KRWDZBQOSA-N 439.419 4.839 30 10 IJEE C#CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@H]1CCCc2ccccc21 1672653588 WVOXVMWHBIKNNI-SANMLTNESA-N 430.596 4.682 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C 1678351532 NSCOTYBYYWQGPG-IBGZPJMESA-N 432.362 4.747 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cnn(Cc2ccccc2)c1 1678351630 QPVLNFSMONVNLX-UHFFFAOYSA-N 427.302 4.903 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C 1678742089 PUGHYKCHMODKQR-KRWDZBQOSA-N 441.399 4.795 30 10 IJEE C#CC[C@@H](NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)c1ccccc1 1680514947 GYOZCZLBHZPPRA-HXUWFJFHSA-N 439.353 4.792 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 1681043493 CUYKRAHPJLINLC-FQEVSTJZSA-N 426.303 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C 1681943281 FWEXDTNVYBGFNM-MZYLBHOOSA-N 434.024 4.563 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCCC1 1687039564 LAIVCEBOXNRDHC-UHFFFAOYSA-N 438.399 4.987 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCCCC1 1689951203 OOQGSGHTZZEOLP-UHFFFAOYSA-N 425.646 4.609 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(CC)C1 1690157663 MEIYBXSEYMMHIF-FQEVSTJZSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C(CC)CC)N(C)C 1690209056 IOLHEGNKAOPIMJ-SHQCIBLASA-N 446.643 4.709 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCOc1ccc(F)cc1 1690245988 PSGAGGRLHONNNH-SIKLNZKXSA-N 428.552 4.571 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H]2OC)CC1 1690417588 YGRHBEDDXFPGRC-VQTJNVASSA-N 442.629 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H](COCc2ccccc2)C1 1690426549 RRHWBNLVOGEUQO-QFIPXVFZSA-N 431.584 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](CC)C1 1690428106 DSRCBEWNDVGIBX-MRXNPFEDSA-N 438.601 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1690428624 WXHMIKFJXFGEGX-RBUKOAKNSA-N 448.615 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690432674 IXFKNXBEPOGCHS-FQEVSTJZSA-N 427.641 4.594 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COC)C1)c1ccccc1 1690441913 IVQMOWQCYBCSGU-NQIIRXRSSA-N 437.975 4.826 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CC(=O)Nc1ccc(F)cc1 1690577083 BKSJSKAESAMMBO-UHFFFAOYSA-N 425.533 4.578 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690629363 UBUXZEQLEYFLMC-CTNGQTDRSA-N 439.604 4.699 30 10 IJEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCC1(C)C 1694544811 FEVWSGQACDORAZ-NTKDMRAZSA-N 425.552 4.688 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC)C1 1705510423 PWOSUBFAWYXKOA-WIYYLYMNSA-N 430.980 4.880 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)Oc1ccccc1F 1705544848 GHTWIHXRSGDNMQ-SJORKVTESA-N 438.572 4.807 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1705660965 MZGQQFDPCKAPCB-WIYYLYMNSA-N 449.451 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(OC(F)F)c1 1705671004 RNBRHXJUOREBFJ-JOCHJYFZSA-N 443.885 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1705696187 MCIVFOPPJGUDLX-CFKGEZKQSA-N 440.588 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2ccco2)C1 1705750426 BPUXCZYOKLGKAL-KRWDZBQOSA-N 449.736 4.631 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705777590 HHYBPXCYFWOQQW-WMZOPIPTSA-N 430.980 4.682 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1705811835 LPOCHAAPSIBXFA-CTNGQTDRSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CN(CC)CC)C1 1705814123 DJNKNSFGNSLGDP-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705823640 QTMHCKAVIVKGPT-MRXNPFEDSA-N 442.457 4.510 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@@H]1C 1705881991 IFQPBYHFCWHZTO-GJZGRUSLSA-N 439.423 4.844 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)c2cccs2)C1 1705919144 YFBMRWGKDNNSIO-QGZVFWFLSA-N 426.561 4.905 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1705942226 LEFCOBBXJQRKNE-IBGZPJMESA-N 427.662 4.692 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1 1706908659 FLSNAGBFUHEHAL-OXJNMPFZSA-N 429.565 4.583 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H](OCC)C1 1722326102 DFCZPLMUQMOMSZ-HXUWFJFHSA-N 435.597 4.796 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1C(F)(F)C12CCC2 1722355819 PCTSFBASHABRAU-MRXNPFEDSA-N 441.309 4.669 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC(CC)(CC)SC 1722392692 RHNILTKVMLBDNI-UHFFFAOYSA-N 431.609 4.878 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCC[C@H]1C 1722404750 CYQRKVRERVDYKL-IMWIBFENSA-N 445.007 4.699 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1722456517 VWCRZUFPPCDTQN-RTBURBONSA-N 445.032 4.608 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(CCOC)Cc1ccc(C)o1 1722482961 FMLQATWTJDWGHP-UHFFFAOYSA-N 449.324 4.547 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2nccs2)CC1 1722560956 KQRWYBWFUMBZJI-UHFFFAOYSA-N 448.365 4.702 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722598934 CYIXKGUSLOWFHD-ZCNNSNEGSA-N 428.552 4.776 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722599731 GZQCVLFBHYFLHP-HXUWFJFHSA-N 439.604 4.961 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)C1 1722717175 FOPHBVWEKKXVDX-GOSISDBHSA-N 439.972 4.556 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1SCCc2ccccc21 1723390029 ATZLIRYHZWVJPZ-IFMALSPDSA-N 439.629 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1csc([C@H](C)OC)n1 1740727622 SHAAJYLNCDCWFB-OYHNWAKOSA-N 441.988 4.803 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740779226 VZFRFDAJRVTDRP-MOPGFXCFSA-N 444.023 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(OC)CC1 1740808850 AAILFUAKWPFDAU-QFIPXVFZSA-N 427.936 4.748 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[C@@H]2CCCCO2)CC1 1740821115 AALXQYPUVLLNLM-NRFANRHFSA-N 440.588 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1740847395 HBMAZCQUBMHMSI-UHFFFAOYSA-N 442.007 4.764 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1C 1740856564 VODNHNMPUVFHRW-PMACEKPBSA-N 448.615 4.811 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N(C)Cc1cc(OC)ccc1Br 1740872921 AMDUZHDHJKMFGT-UHFFFAOYSA-N 444.377 4.657 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCN1CCC 1740921338 QXCRJPJWEYHMMF-NRFANRHFSA-N 436.579 4.869 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCC(C(F)(F)F)CC1 1748651350 LAZRWJHESXOEFT-HPUBIQBYSA-N 435.450 4.680 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CCCC2)C1 1748703458 QJBRPIQMDRWEFK-UHFFFAOYSA-N 438.572 4.545 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1749219759 ROGWHUHKHLHFLZ-FPOVZHCZSA-N 440.588 4.712 30 10 IJEE C=C(C)COCCn1c(C2CC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1749225740 JPTLDBPQQIIPDN-IBGZPJMESA-N 437.371 4.633 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2csc(C(C)C)n2)CC1 1749305388 HHOSJFYDRSOHSR-UHFFFAOYSA-N 425.577 4.987 30 10 IJEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCSCC(C)C)CC1 1749345346 DLXHHQMFYUHETJ-UHFFFAOYSA-N 438.645 4.698 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1749382540 NWRFLTZVHWBTHH-NZQKXSOJSA-N 435.616 4.504 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H]1CCOC1 1749391502 SZLAEEYFGKUVOQ-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCO[C@H]1C(C)C 1749528308 LEMJGWSKZXBTMR-IRLDBZIGSA-N 426.605 4.838 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC(C)(C)N1CCCCC1 1749541518 QDBXHOGHBWYFHW-UHFFFAOYSA-N 448.590 4.936 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC=CCC1 1749545240 YXLJGIVTTOVNGW-SFHVURJKSA-N 434.569 4.536 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C 1749553694 SYJLUOWOHBLXRT-QRVBRYPASA-N 427.559 4.735 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)c1ccccn1 1749593929 CVCFXRPTPLMPRI-UHFFFAOYSA-N 442.567 4.505 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760240408 QDKAXKMTOFMTRP-CPJSRVTESA-N 425.596 4.691 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C1CCC1 1760285528 IXAWAISVFFYDCB-UHFFFAOYSA-N 425.385 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760322426 SOCZGBBYPLISCO-IKLNAOFOSA-N 444.645 4.876 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1760343491 XDMWBVZCKVIADY-ZDUSSCGKSA-N 439.785 4.941 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@@H](C)N1CCCCC1 1760455961 DEIOHHWGQOPICF-RTBURBONSA-N 432.012 4.958 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1CSCCS1)C1CC1 1760475580 MSOUBIYPJPYIMJ-QGZVFWFLSA-N 448.683 4.582 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1Cc1c(C)noc1C 1760501343 NKYOIIUIQVVEBK-UHFFFAOYSA-N 431.540 4.659 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(c2ccccc2)CC1 1760507104 GLSYNYAIWUAVCI-UHFFFAOYSA-N 426.362 4.616 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760561476 BDVOGGZCQRLMMZ-VQIMIIECSA-N 449.020 4.532 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)c2cccs2)C1 1761542261 HHANRXTYSINRRN-YADHBBJMSA-N 441.988 4.698 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1)C(C)C 1765782083 IFZOSTPVMAGTDN-VXKWHMMOSA-N 441.645 4.846 30 10 IJEE CN(C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 1766891608 BBFIMTKERXZORW-IGKIAQTJSA-N 448.659 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCSC(C)C 1772523378 AGWFWYSRAVUHBU-XMMPIXPASA-N 442.629 4.875 30 10 IJEE COC(=O)c1ccc(/C=C2\SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)cc1 1772738413 NXWLEPPTEKXVSM-IWNQXXOGSA-N 435.530 4.831 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)c3cccs3)c2)sc2c1CCCC2 1860090917 JJRMOPVJUYZPSM-UHFFFAOYSA-N 437.546 4.830 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862394802 KGKINODVINGRMC-DEOSSOPVSA-N 445.563 4.650 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416551 HHWUBKROTIGDKH-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Cl 1862417354 QRZXUNFETWOHNV-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862422794 MZXQRDVCPFDOAF-NRFANRHFSA-N 445.462 4.749 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862433942 OSXXJRQSSJOSFV-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 1862439219 WYASDKKONQPGSB-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862546949 JLJJZMTVJWMVLN-QFIPXVFZSA-N 434.492 4.708 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862563377 BVMJXHGZMSEXPR-QHCPKHFHSA-N 434.536 4.969 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1cccc(O)c1 1862589042 CKYIISFCOAABLE-JOCHJYFZSA-N 449.890 4.572 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862598290 SJWQHRBVSXUCBY-XMMPIXPASA-N 443.499 4.878 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 1862626061 SXHRCURXXZGMQI-OAQYLSRUSA-N 425.456 4.713 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862643212 MTXWUSSJEZAJPB-IVZQSRNASA-N 441.499 5.000 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 1862674214 SXSJYQZNGKMPLE-NRFANRHFSA-N 429.463 4.750 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862688156 SLXZIUPVJYBYLJ-QMHKHESXSA-N 429.472 4.740 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862701639 JXTPNACBHCFNPN-ZAOYMGCJSA-N 449.503 4.550 30 10 IJEE CN(C)c1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863083161 KYBNXBXWBNYCMR-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2ccc(OC)cc2)C1=O 1863322711 VLGJDQGSNALGEE-UHFFFAOYSA-N 436.817 4.745 30 10 IJEE N#Cc1c(NC(=O)Cc2ccc3cc(Br)ccc3n2)sc2c1CCCC2 1866165428 RVJAOGNAMGUJTP-UHFFFAOYSA-N 426.339 4.990 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868291260 MZTAIIOAXLJYTF-QFIPXVFZSA-N 444.970 4.727 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)nc(-c2cccnc2)n1 1869364305 YJSYCQDBWAQSCS-SZPZYZBQSA-N 440.595 4.821 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)c(C)c1 1870142855 YLGTZLTYPOBNOQ-JWGURIENSA-N 435.487 4.635 30 10 IJEE Cc1cc(OCC(=O)Nc2c(C#N)nnn2-c2cccc(C(C)(C)C)c2)cc(C)c1Cl 1870144627 ILRHPCKXYBOHQI-UHFFFAOYSA-N 437.931 4.724 30 10 IJEE CN(Cc1ccccc1)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccco1 1870349373 LJOYMOYXDHDWSA-UHFFFAOYSA-N 439.515 4.572 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(F)c(F)c1 1870872333 AJFPMZFYAAXQMP-UHFFFAOYSA-N 436.499 4.651 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1ccc(C)c(C)c1 1871166360 VLIYYYPIUIKUCS-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 1871374587 RXPXVOSLRHNVQY-QRVIBDJDSA-N 429.428 4.922 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3cccc(F)c3)C4=O)CC2)c1 1871397610 CQYKNEDMDFEJKS-XYGWBWBKSA-N 444.506 4.778 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871454282 HDZBKRQGTAKHCB-XKZIYDEJSA-N 444.443 4.845 30 10 IJEE CCCCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578062 NTCNDNLKNQQAFR-UHFFFAOYSA-N 449.987 4.639 30 10 IJEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=NCc2ccncc2)[nH]1 1871741751 BKEXHFXXTQBVTA-UHFFFAOYSA-N 441.668 4.689 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1)S(=O)(=O)CCC 1872361689 YETKFXGBUDUSOL-LJQANCHMSA-N 440.487 4.613 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872511727 NCZZMOLQHFXDKS-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872572911 WBADREUHUVNZDJ-UWJYYQICSA-N 434.627 4.985 30 10 IJEE COc1cccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 1872762245 GZSYEUHIJXZLRC-SFHVURJKSA-N 448.504 4.817 30 10 IJEE Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)cc2nc1C 1872772624 FTGOPMLYRBCGPX-MRXNPFEDSA-N 428.473 4.589 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872780411 HQQSDJXMNYFOAK-INIZCTEOSA-N 442.924 4.908 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCc3ccccc3F)cc2[nH]1 1872805052 AKLUBXQFSBRQLR-UHFFFAOYSA-N 431.467 4.776 30 10 IJEE CC(C)(C)c1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Br)cc1 1873525998 IRCCCNYMUMFFPX-YDZHTSKRSA-N 425.330 4.739 30 10 IJEE CCOc1cccc(/C=N/n2c(CCCOc3ccc(OC)cc3)nnc2SCC)c1 1874221538 PSTNDRAFGLJHHH-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CCOc1cc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SCC)ccc1O 1874320158 CXVBAIIBODJECS-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1F)Nc1ccccc1F 1874452406 UJELWMQRQGAVDN-DHRITJCHSA-N 441.507 4.827 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)ccc1O 1874462024 IWXQOEBRRBRBAK-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccccc1O 1874477748 JZBLNEIPBOIVQH-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)o1 1874532181 AYQDPHFOQYDFIF-ZVBGSRNCSA-N 439.324 4.838 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1F 1874611297 GDWWVHBHSBJWKJ-ACCUITESSA-N 435.451 4.757 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OC 1874636546 GAADDQZVAWUIML-JXMROGBWSA-N 431.916 4.501 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OCC 1874637903 XVWAIPFOBIWHQE-CSKARUKUSA-N 426.509 4.939 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)COc2ccccc2)c(OC)c1 1875118212 QYBABEXGDOTJMH-BUHFOSPRSA-N 448.471 4.593 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccccc3F)ncnc2n1Cc1ccco1 1875234906 CEDCYBZNJBOTJE-UHFFFAOYSA-N 445.498 4.638 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 1880013540 CXUQWXBXLNJXMA-AXHZCLLHSA-N 427.545 4.715 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(N4CCCCCC4)ccn3)cc21 1890481557 PFDPCCWQCYHDLG-UHFFFAOYSA-N 448.567 4.652 30 10 IJEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)C2)c1 1891718167 WKBMYZAURNNPAS-HXUWFJFHSA-N 438.462 4.601 30 10 IJEE N#Cc1cncc(C2=CCN(S(=O)(=O)c3ccc(-c4cccc(Cl)c4)cc3)CC2)c1 1891727681 WNIJEMZXDAXMOW-UHFFFAOYSA-N 435.936 4.752 30 10 IJEE C=C(Br)COc1c(Br)cc(C=CC(=O)O)cc1Br 1912069768 UVFHVMPCXKDTKN-UHFFFAOYSA-N 440.913 4.597 30 10 IJEE N#Cc1ccc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)s1 1951442286 AKLXGGNBNFZINC-OAHLLOKOSA-N 432.501 4.717 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C[C@@H](C)C#N)C1CC1 1984693559 DHKZMMJHLXCJRD-AVRWGWEMSA-N 445.563 4.700 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@@H]1C1CC1 2018418042 LWRZETFUJQECRI-FOIQADDNSA-N 447.498 4.858 30 10 IJEE C[C@@H]1CC[C@]2(CSC(=NCC3(N(Cc4ccccc4)Cc4ccccc4)COC3)N2)C1 2018689311 WKRDITHJBXTTEZ-PXDATVDWSA-N 435.637 4.709 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2c2ccc(Cl)cc2Cl)o1 2033813206 LBSQVLQNHXDZCA-CQSZACIVSA-N 436.276 4.529 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1Nc1ccc(Br)cc1C#N 2162302925 RKVPSYHEWMUMIH-MOPGFXCFSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1c1ccc(Br)cc1C#N 2174811542 ZDDBHLOPPJPZJK-QGZVFWFLSA-N 448.283 4.747 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CC(=O)Nc2ccc(C#N)cc2Br)C1 2181155627 OYGLEQURNIKRNB-ZFWWWQNUSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@H]2CNCC[C@H]21 2233794401 JSNWPLQWYCEICZ-MRUHUIDDSA-N 434.378 4.863 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1ccccc1I 2235728827 SAOXJHBYKQDCMW-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@@H](O)C#Cc1ccccc1Br 2235741526 UQXKEUCHJQDNAE-FQEVSTJZSA-N 430.342 4.601 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCCC3)cc2F)OC1(C)C 2266978561 SCJGEMBONHOEKQ-UHFFFAOYSA-N 437.364 4.958 30 10 IJEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1ccco1 2282561560 KXHNWLSRMQLVBS-UHFFFAOYSA-N 448.372 4.804 30 10 IJEE COc1cc(C(=O)N(Cc2ccccc2)C2CCCCC2)ccc1B1OC(C)(C)C(C)(C)O1 2282565981 RIWCPHYCGQYPGS-UHFFFAOYSA-N 449.400 4.970 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 2296098544 ATSIYHMOLFCLTI-NRFANRHFSA-N 432.407 4.669 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CC=CC1 2296271853 IBFJZRCCRWUDPF-LJQANCHMSA-N 433.390 4.782 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 2296298282 IOAWXKLTOMAKOJ-NSISKUIASA-N 435.406 4.672 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)c4ccccc4C)ccc3C2=O)cc(OC)c1OC 2296867555 XQOZMCYVRLOQRI-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(OC)c(C=CC(=O)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 2314429356 FJLNSOJWHZAGKI-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCC[C@H](CC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319667924 BFSWSDKYMVXVQI-UZUQRXQVSA-N 438.418 4.545 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(Cl)cc1 2320940840 UZXAWWKEFSHTLV-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE COc1ccc(C=NNS(=O)(=O)c2ccc(C)c(C)c2)cc1OCc1ccc(C)cc1 2323396304 UJBLUWRBWQVULU-UHFFFAOYSA-N 438.549 4.512 30 10 IJEE CCOc1cc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)ccc1O 2326101432 NKLURWKDNNFVBG-UHFFFAOYSA-N 446.960 4.836 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccccc1Cl 2326763759 XMEUOTSLUHTRRX-UHFFFAOYSA-N 428.945 4.845 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SC)cc1OCC 2328767123 NUDRURGSLOQFGI-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2N=Cc2cccc3ccccc23)c(C)c1 2328907937 NGUJPVPCXRTUPO-UHFFFAOYSA-N 446.576 4.984 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1sccc1C 2329459701 FUTFNMCXQGDCPJ-UHFFFAOYSA-N 442.610 4.783 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(C)cc2)o1 2330482465 QLSUDSUJHLBQAF-UHFFFAOYSA-N 446.532 4.731 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)cc2)cc1 2331189912 WLCCANXXTKJXQE-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCCCc1nnc(SCC(=O)N(CC)CC)n1N=Cc1ccc(Cl)cc1Cl 2331318478 QATXLGTYRVTUOP-UHFFFAOYSA-N 442.416 4.770 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2334271481 KNNAPUSGJYGYAA-CEXWTWQISA-N 442.365 4.619 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1cc(Br)cc(OC2CC2)c1 2337408900 PIQWTQSMGRFODE-QZTJIDSGSA-N 426.351 4.883 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342481292 RVQVWDVIJAIRSM-XMMPIXPASA-N 444.381 4.661 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C[C@@H]2C(=O)C#Cc2ccccc2Br)C1 2358671763 MUFHMPFYXRHNGM-NXHRZFHOSA-N 432.358 4.653 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@@H](N)C#Cc1ccccc1Br 2363387918 JLVXZMGGCHNWLX-OALUTQOASA-N 435.406 4.944 30 10 IJEE CC[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844580 SPKDORYFIJVPMW-QGUKFAFCSA-N 448.460 4.937 30 10 IJEE CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 27532988 XNRVGBMVNBQXKB-JOCHJYFZSA-N 446.507 4.541 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2cc(C)ccc2C)c1C 32971581 STZCKSALDDLXFO-UHFFFAOYSA-N 446.599 4.601 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccccc3F)oc12 33522370 IPNYKZPTPHBEJN-OAQYLSRUSA-N 447.418 4.952 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 34955568 LFPVZZFLQJDZNQ-SDNWHVSQSA-N 448.471 4.836 30 10 IJEE O=C(NCC#CCOc1cccc(Br)c1)Nc1ccc(C(F)(F)F)cc1 90731374 YBDQKBGBJYLPKX-UHFFFAOYSA-N 427.220 4.672 30 10 IJEE N#Cc1ccc(-n2c(SCc3noc(-c4ccccc4)n3)nc3ccccc3c2=O)cc1 96993753 NSSRLDFFEJUADM-UHFFFAOYSA-N 437.484 4.600 30 10 IJEE C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(F)c(F)c1 101189782 MBNPRGQZQZVQNF-UHFFFAOYSA-N 444.507 4.669 30 10 IJEE COC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 101647699 JMCZQEODIDOTNT-CPNJWEJPSA-N 432.457 4.902 30 10 IJEE Cc1nc2ccccc2n1/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 110565970 BNUTYRYMQNEDKD-DAFNUICNSA-N 427.888 4.821 30 10 IJEE COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)c1OCc1ccccc1 169938255 ARTMJVPOHHFDIK-HSZRJFAPSA-N 444.556 4.950 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 169998482 FDALNDCBLKXSQX-OAQYLSRUSA-N 436.870 4.695 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 170071812 JPQMDAHHKYWSFE-XMMPIXPASA-N 446.522 4.899 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)c(OC)c1 170140130 LTHSDOJKWCDESO-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccccn3)oc12 170179441 SJCLBYCTSADMNA-NRFANRHFSA-N 432.476 4.747 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273424 XXKFHFMRQKXDOU-REWPJTCUSA-N 435.520 4.540 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccco1 170289941 UICXMSRSTQCTOQ-HXUWFJFHSA-N 448.862 4.905 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1 170296678 VSRUFFJCUANJPT-JOCHJYFZSA-N 449.478 4.865 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(O)cc1)c1ccco1 170448339 LFGAYQGLBKPHNS-SFHVURJKSA-N 445.349 4.667 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 195728022 LIHHHTCWIGNOGV-UHFFFAOYSA-N 448.376 4.767 30 10 IJEE CC[C@@H](C)NC(=O)c1c(N)n(N=Cc2ccc(C(C)(C)C)cc2)c2nc3ccccc3nc12 254378116 CHPNLBXGOFPKMK-MRXNPFEDSA-N 442.567 4.875 30 10 IJEE O=C(O)c1ccc(Cl)c(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 254620292 OMZFSIYFWAAZHV-UHFFFAOYSA-N 430.760 4.561 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H](c3nncn3C3CC3)C2)nnc1C12CC3CC(CC(C3)C1)C2 460366776 ACLNZCGJJREFKS-FMSQDJPCSA-N 447.631 4.632 30 10 IJEE CC1(C#N)CCN(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)CC1 506652673 CYJXVAMPGOGRAR-UHFFFAOYSA-N 430.306 4.534 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 508463583 HVWHCVQBLMSWHB-UHFFFAOYSA-N 436.947 4.575 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 508815800 DDUKKMUCRUIWSI-UHFFFAOYSA-N 437.494 4.573 30 10 IJEE COc1cc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)ccc1O 526800053 MWVCGXKGKRJXIA-XYGWBWBKSA-N 430.533 4.758 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Cc2coc3ccc4ccccc4c23)CC1 527341686 CPOHSANHGGXFES-UHFFFAOYSA-N 425.488 4.902 30 10 IJEE CN(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)cc1 586221333 KMAVQFBGHCYZRY-UHFFFAOYSA-N 425.941 4.673 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@H]1c1cnn(C)c1 685549532 DOLVWIFEAOCKAU-FQEVSTJZSA-N 440.979 4.513 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 685549533 DOLVWIFEAOCKAU-HXUWFJFHSA-N 440.979 4.513 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 699586261 XTPOBZVSXMNEFZ-NTKDMRAZSA-N 445.560 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]1C2 721770300 RXXSQCSNZIXKRM-STXHMFSFSA-N 447.498 4.858 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccccc1C 735969845 XTXPVBKXLDXGFI-LJQANCHMSA-N 438.940 4.580 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 762131669 RFHOJTQVTOQEIZ-DEDYPNTBSA-N 435.877 4.748 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1=S 773257530 DTVJVQSSXPCGMO-RTWAWAEBSA-N 442.629 4.584 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1cccc(C)c1 799214851 FVMSVAITVKMXJY-GOSISDBHSA-N 431.945 4.637 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H](C)c1cccs1 812187620 ATDZQGYVFWGSPB-KRWDZBQOSA-N 425.558 4.540 30 10 IJEE CCOC=Nc1c(C(=O)OCC)sc2sc(C(=O)OCC)c(N=COCC)c12 1081823704 RMNLGCXNENIAIN-UHFFFAOYSA-N 426.516 4.709 30 10 IJEE N#Cc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cs1 1124978958 BAWVMHSBVQPXRM-LJQANCHMSA-N 427.982 4.864 30 10 IJEE O=C(N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H](F)c1ccc(C(F)(F)F)cc1 1126720162 CHYWYJPEIXMZLY-YOEHRIQHSA-N 448.338 4.657 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(F)cc2I)C(F)(F)F)cc1 1128867077 RJIKCNCLFCVFBX-HNNXBMFYSA-N 448.153 4.872 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(Br)cc1 1129609227 QDKOTDYCXGVTLH-GOSISDBHSA-N 429.314 4.745 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1 1157327140 OPKPJXPROOIDBZ-HXUWFJFHSA-N 430.932 4.787 30 10 IJEE C=CCn1c(SCC[C@@](C#N)(C(C)=O)c2ccccc2)nc2sc(C)c(C)c2c1=O 1164583707 CMRJWZMASORNRO-HSZRJFAPSA-N 437.590 4.794 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@H](c3ccc(Cl)s3)C2)c1 1191231046 BJTNOJDZBURUEU-HKUYNNGSSA-N 431.989 4.727 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@@H](CC)c2ccc(F)cc2)CC1 1197523043 FQGHLUAELXZLDZ-CVDCTZTESA-N 429.605 4.559 30 10 IJEE Cc1cc(Br)c(F)cc1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1203728343 HQQKRSJWOHHNSZ-UHFFFAOYSA-N 445.336 4.554 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 1216744108 WUABDWVDEOVQRI-FQEVSTJZSA-N 441.572 4.590 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(F)cc1 1217278060 JGQLIQPQVPJWKB-AWEZNQCLSA-N 431.183 4.983 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 1219084521 PDOGQRQFQXQEQG-UHOFOFEASA-N 429.405 4.515 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)c1ccccc1 1224521380 GFBMWSZNZSEVLO-IIBYNOLFSA-N 449.364 4.746 30 10 IJEE C=CCc1cc(C(=O)N2CCc3cc(Br)cc(C)c3C2)cc(OC)c1OC 1266670195 GRJSXHHBQJXSAB-UHFFFAOYSA-N 430.342 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1286278379 NOMNJNUUODBMKL-DOAHWQAKSA-N 430.980 4.877 30 10 IJEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)Cc1ccc(Cl)s1 1286346543 XSUGTKHPVGYHGG-UHFFFAOYSA-N 428.945 4.829 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286500687 CEJYUKVZQGYMAE-MOPGFXCFSA-N 433.021 4.605 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@](C)(CC)C1 1286501014 JOTSDZYEVNYFEV-DEOSSOPVSA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCOC1CCCCCC1 1286527995 WEMGFUOKEIHYIW-AREMUKBSSA-N 436.600 4.897 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC(Cl)=C(Cl)C1 1286545469 XPVGADWJDKXVPH-UHFFFAOYSA-N 434.190 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(CC)[C@@H](C)C1CCC1 1286563755 DWYYLILLBBBFTR-NRYAXDJKSA-N 442.579 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCO[C@H]1C(C)C 1286572214 ZCYMUHSJDDODAQ-OFNKIYASSA-N 434.588 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1286653966 GFOZQXXHDHFDHM-UHFFFAOYSA-N 447.530 4.508 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C(C)C)C1 1286693328 ZOGXCPMUYXVDJN-QGZVFWFLSA-N 438.439 4.590 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCC2)C1 1286699531 SNGLRVIUKORULC-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(OC(F)F)c1 1286755687 ILRMZDAPEYQLKQ-UHFFFAOYSA-N 449.864 4.961 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CCO1 1287277039 ICPOKZGDANZFMG-UFYCRDLUSA-N 447.505 4.972 30 10 IJEE Cc1cccc(CCn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)n1 1290016372 GHNJHZGLMHYNTJ-UHFFFAOYSA-N 426.524 4.771 30 10 IJEE C#Cc1cccc(N(C)C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1292929347 GBOGHSFEGHBRCB-UHFFFAOYSA-N 438.527 4.902 30 10 IJEE CC(C)(C)c1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(O)c(C(C)(C)C)c1 1293348396 BJONYNOKDQBIGQ-OAQYLSRUSA-N 433.596 4.837 30 10 IJEE C=CC[C@H](C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1293985945 GKMOBSSJTYDXGP-HKUYNNGSSA-N 431.376 4.931 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1(C)C 1296930241 DNBAJFANYWOOHP-SFTDATJTSA-N 439.604 4.519 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)CCCC1 1297803847 LVYOREQHONYGGL-UHFFFAOYSA-N 430.545 4.801 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300393066 BFDZOMQIRNJTDT-JOCHJYFZSA-N 430.600 4.903 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCc1nc(C)cs1 1300605048 VKJCBHKPKVHACR-UHFFFAOYSA-N 445.596 4.583 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1NC(=O)CC1(C)C 1301167533 AYZJAOFOJRAGMI-LJQANCHMSA-N 429.996 4.696 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](SC)C(C)(C)C)C1CC1 1301315839 CGZWDNGKFUVJAN-HXUWFJFHSA-N 430.618 4.895 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccco1)C1CC1 1301331449 KSYGWXDQVPYHGO-JOCHJYFZSA-N 444.988 4.879 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1 1301364827 AGCXVKIAWWKNOI-HSZRJFAPSA-N 443.016 4.937 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CCc1nccs1 1301405448 GHUKLSWQCACWEQ-UHFFFAOYSA-N 440.960 4.521 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1OCCC1(C)C 1301414609 GNNWQXDSEFVWGA-LAUBAEHRSA-N 444.645 4.585 30 10 IJEE C=CCC1(CNS(=O)(=O)c2ccc(Br)cc2Br)CCCC1 1309495141 YKKJFZSGUDBEFM-UHFFFAOYSA-N 437.197 4.626 30 10 IJEE CC(C)Sc1c(Cl)cccc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1310348748 GFAHERQCMHNCQB-XJKSGUPXSA-N 438.981 4.721 30 10 IJEE Cn1cc(CNC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c(-c2ccc(C#N)cc2)n1 1310634093 BBUYSCGBBZDQSG-GOSISDBHSA-N 448.596 4.888 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1311690386 GVQRFBKVFMXCJW-WIOPSUGQSA-N 449.595 4.989 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 1312292277 DTGDONDQAJOXKK-JOCHJYFZSA-N 428.527 4.697 30 10 IJEE C=CC[C@@]1(c2nnc(-c3cc(Br)cn3C)o2)CCCN1C(=O)OC(C)(C)C 1328504163 LZLSOQDSJLPHRD-IBGZPJMESA-N 437.338 4.640 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnnn1-c1ccccc1Br 1350407681 PTRNMLDBILTRND-UHFFFAOYSA-N 437.750 4.573 30 10 IJEE CC(C)(C#N)CC(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 1352976237 HLPKKNNJFIWYPO-UHFFFAOYSA-N 446.414 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)cc1 1358877291 AWZWLEKVJORUQZ-ZDUSSCGKSA-N 433.350 4.609 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1358908379 VIUSNAWUDHEYIE-GHTZIAJQSA-N 435.959 4.763 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 1358916616 RHWFASCMBDUSTJ-UHFFFAOYSA-N 437.975 4.962 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1358938711 IBYYZPPKWRNYNP-GHTZIAJQSA-N 426.536 4.509 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCC1CCN(CC)CC1 1359016631 IIIQCRMPHQBHLQ-UHFFFAOYSA-N 439.623 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(C(=O)OC)CC1 1359107185 FLHMBARFCPNYBQ-QFIPXVFZSA-N 439.604 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1359115316 UDBGGFSQBKSQSO-UHFFFAOYSA-N 445.615 4.659 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCOCC(F)F)CC1 1359161278 XJGPANZNQYULRU-UHFFFAOYSA-N 427.499 4.630 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccsc2Br)CC1 1359161616 KZCJVZQLGYITFM-UHFFFAOYSA-N 440.370 4.845 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359187893 AUPYZNPGSVFJLY-JOCHJYFZSA-N 441.595 4.583 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(F)c1 1359209336 KHZYFCZPQIZOEZ-UHFFFAOYSA-N 432.341 4.788 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1359271114 LJMFVNCPTROGJB-HSZRJFAPSA-N 449.599 4.875 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CCc1csc(C)n1 1359275603 YPKMGFFLQLOWFX-UHFFFAOYSA-N 430.581 4.583 30 10 IJEE C#CCN(C(=O)c1cc(C)nc2ccccc12)[C@H]1CCOc2ccc(Br)cc21 1435175917 NUHIZTLYVCGKHZ-NRFANRHFSA-N 435.321 4.905 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1458738052 WFPNWESTANYUEB-HNNXBMFYSA-N 439.606 4.808 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(COC)cc(C(=O)OCC)c1 1460367720 VSWRXQSWAISFHG-UHFFFAOYSA-N 437.414 4.846 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC3(CC3)c3ccc(Br)cc32)c(OC)c1 1461663114 RQXUGIDHWHCMBE-UHFFFAOYSA-N 428.326 4.643 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)Nc3nc4c(OCC(F)(F)F)cccc4s3)n2)c1 1463270782 ASKCZTVDCNEWRP-UHFFFAOYSA-N 443.410 4.547 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)CC1 1463792043 BMWUSNRNUWMFAF-OAQYLSRUSA-N 445.460 4.675 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 1464304202 XMQVALJNXAEIRF-ZWKOTPCHSA-N 425.356 4.964 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)c1 1465533711 VIRWGSPJHVGHIO-UHFFFAOYSA-N 444.373 4.754 30 10 IJEE C#CCN(CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1)C(=O)OC(C)(C)C 1468081053 OZMJKOUSQNAGDO-HXUWFJFHSA-N 449.576 4.567 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC)c1ccc(F)cc1 1468327624 DJHMDKYTMYCZGE-HSZRJFAPSA-N 425.463 4.791 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1470638725 HPBSMSXSXRQBGX-HLAWJBBLSA-N 446.636 4.944 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(C)Cc2ccc(F)c(Cl)c2)c1 1471189872 RWRRJOUTUCUABC-HSZRJFAPSA-N 447.959 4.514 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 1476689786 NLAMORJROSSDBY-UHFFFAOYSA-N 434.393 4.917 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CC#N)N(C)C 1496627733 DHBOMFFFGRBQGG-YADARESESA-N 447.631 4.907 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H](c1ccco1)N1CCCCC1 1507540909 GSJADIJTPYAYLU-UPVQGACJSA-N 445.611 4.732 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC[C@H]1CC 1507546729 LEXBVNBLFKQGBP-UYAOXDASSA-N 446.064 4.946 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1csc(C)c1 1507659987 KECNGJNHRKJAPF-SFHVURJKSA-N 438.984 4.953 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1507796436 HXGQZPNAXZOCSK-XXBNENTESA-N 442.629 4.619 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1507859754 CNABDCKKOQZTFY-JOCHJYFZSA-N 429.952 4.623 30 10 IJEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@](C)(O)CCC(C)C)CC1 1507903184 AUXVLJLXTXUEFD-AREMUKBSSA-N 435.616 4.940 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1507913025 TXEPWVPEHIHFTC-FGZHOGPDSA-N 438.664 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1507919303 NXEQKOCJDCZULI-SFHVURJKSA-N 447.574 4.578 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1507965008 JKSCHDNEANLFTL-PXNSSMCTSA-N 427.420 4.624 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)N2CCCCC2)cc1)C1CC1 1507992771 IXCKXQIJOZVMFL-UHFFFAOYSA-N 435.616 4.696 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1508005867 ZOPYVIHATWXFFY-GOSISDBHSA-N 445.583 4.989 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1Cc1c(C)noc1C 1508007580 DDDXUCFMHJBWFA-UHFFFAOYSA-N 432.503 4.633 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC[C@@H](F)C2)C1 1508114579 LCHJGPSHKDYQLS-MHYXUVESSA-N 448.970 4.991 30 10 IJEE C=CCC[C@@H](NC(=O)Cc1nnn(-c2ccccc2)c1C)c1ccc(C(F)(F)F)cc1 1519589655 GDYWDPUTMHALJA-HXUWFJFHSA-N 428.458 4.961 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1521590563 QDDLTCIFXGGXAA-DYESRHJHSA-N 437.462 4.732 30 10 IJEE CCOc1cc(NC(=O)c2csc(C#N)c2)c(OCC)cc1NC(=O)c1ccccc1 1522511080 BEVXWZGCFJGXPZ-UHFFFAOYSA-N 435.505 4.922 30 10 IJEE C=CCc1cc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc(OC)c1OC 1526727467 GRXWMSPZZLDOIF-KRWDZBQOSA-N 444.369 4.900 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)C1(Cc2ccccc2Br)CC1 1527097594 BJEAEVMLTJXUMT-UHFFFAOYSA-N 434.337 4.907 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc3c(s2)CCCC3(C)C)nnc1-c1ccco1 1527808558 SPRKZONTPIBOPL-UHFFFAOYSA-N 443.598 4.915 30 10 IJEE N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1528210468 AVJVULIUQJRCJU-UHFFFAOYSA-N 430.817 4.678 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F 1528839198 HQULXPSOENFWGQ-OLZOCXBDSA-N 446.363 4.678 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(OCCC)c(F)c2)nnc1-c1ccco1 1530784943 MRBRCTQVWFSXSH-UHFFFAOYSA-N 430.505 4.773 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cnc(-c2c(Cl)cccc2Cl)s1)C(=O)OCC 1531939987 GDYDITKMUBEVHG-GFCCVEGCSA-N 433.744 4.921 30 10 IJEE Cc1cccc(CN(Cc2ccco2)C(=O)COc2cccc(Br)c2C#N)c1 1533218624 DJFQYKVLGDUHKX-UHFFFAOYSA-N 439.309 4.830 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)c(C)cc1Br)c1ccc(F)cc1 1535459234 KVYNOFMIMHKBJP-MRXNPFEDSA-N 425.095 4.763 30 10 IJEE C#C[C@H](NC(=O)c1ccc(COc2ccccc2OC)o1)c1ccc(Br)cc1 1535483370 JFMNXBLAVRTIKI-SFHVURJKSA-N 440.293 4.734 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CC(=O)N(CCCC)[C@@H]3c3ccc(OC)cc3)cc2n1 1538563302 XCAGTITWNQXYBE-RCZVLFRGSA-N 446.551 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(C)oc2ccccc12 1538974203 UBXSDEFXYAPJKK-ZDUSSCGKSA-N 438.329 4.597 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC(F)(F)F 1539350791 ZDWSQAUUHKVIMM-CQSZACIVSA-N 426.508 4.517 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)C2)c(F)c1 1539409608 IAAQHKNQXXASLG-GOSISDBHSA-N 426.451 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)C[C@@H]1CC 1539639942 CYJNSKGDIDSCLM-GBPOLFSSSA-N 428.552 4.602 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCCC[C@H](SC)C1 1539647100 VGXKUKRXSMVGNG-ZJOUEHCJSA-N 432.659 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ncccc1N(C)C 1539651374 FCZSWRTVBDOIQB-UHFFFAOYSA-N 441.583 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1539677431 CBLHPFXXOLDFRM-VWNXMTODSA-N 428.552 4.604 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC1(N(C)C)CCCCC1 1540062707 VGMYQWOGZJBBRX-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCSC1(C)C 1540180699 SPGIMCFVAGBVPF-SFTDATJTSA-N 426.630 4.549 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540909469 IFYNWFKVAMBFAB-FGZHOGPDSA-N 436.629 4.814 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCCCC2)C1 1540912191 PFFCKFXGGVYTNV-UHFFFAOYSA-N 439.654 4.992 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1 1541406390 AYDKOQRPSXSDLO-RBBKRZOGSA-N 435.597 4.966 30 10 IJEE C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CCN1C(=O)OC(C)(C)C 1544742493 GVRRUKJUZRJUEJ-QGZVFWFLSA-N 437.565 4.791 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cscn2)c1 1544984789 BZIVKUCAHDGLNS-KRWDZBQOSA-N 437.949 4.697 30 10 IJEE CCCNc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1545770303 CJIMDKVPCYFITK-AWEZNQCLSA-N 431.323 4.679 30 10 IJEE COc1ccc(Br)c(CN(C)C(=O)c2c(Cl)cc(C#N)cc2Cl)c1 1556203853 BOEJCMZYFXXDPS-UHFFFAOYSA-N 428.113 4.908 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@@]3(Cc4ccccc4)C=CCCC3)ccc2c1=O 1557902644 TULIEJKCOVDYIE-SANMLTNESA-N 445.588 4.570 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1561401941 FPWPJOCPYRYPPW-OAHLLOKOSA-N 433.473 4.539 30 10 IJEE CCCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(CC#N)cc2)cc1 1561413504 AGXIVKBKCMDZSF-UHFFFAOYSA-N 434.561 4.933 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 1561876033 COCBTXGTMQAKQW-HSZRJFAPSA-N 435.549 4.710 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC(C)C)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1562221336 QYSLIRVRKFIBJS-UHFFFAOYSA-N 429.561 4.649 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1562441715 LVVFXZRCORGLOK-JOCHJYFZSA-N 449.551 4.820 30 10 IJEE C#CCOc1ccccc1NC(=O)N1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC 1562640296 JAGSAXRWSNPPKY-FGZHOGPDSA-N 449.551 4.742 30 10 IJEE C#CCOc1ccccc1NC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 1562640504 QXQXNIAKIZYKCS-UHFFFAOYSA-N 429.561 4.780 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCCc2ccccc21 1564363630 SDHCQRQKTVJKPT-MBSDFSHPSA-N 425.935 4.780 30 10 IJEE C#C[C@@H](NC(=O)c1cc(F)c(F)cc1Br)c1ccc(Br)cc1 1583565871 NEYJFVZZFJIKTR-OAHLLOKOSA-N 429.058 4.594 30 10 IJEE C=CC1(CC(=O)Nc2cccc(Cl)c2OCCOCC)CN(C(=O)OC(C)(C)C)C1 1583864376 CFPUHOFPBKHYCU-UHFFFAOYSA-N 438.952 4.507 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1oc2ccccc2c1C 1588020073 CQEBPMBXTJCHOB-IBGZPJMESA-N 449.555 4.522 30 10 IJEE C=C(C)Cn1c(C(C)C)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1589708801 VXFMEODDQCNJFV-UHFFFAOYSA-N 427.902 4.976 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1589742517 RGARSESTYQFMPB-UHFFFAOYSA-N 429.565 4.506 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSCC(F)(F)F)CC1 1594036679 WFSRQJZJZUVORR-UHFFFAOYSA-N 448.461 4.998 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(CC)CCOCC2)CC1 1594134231 MLLYMSRJHFEERC-UHFFFAOYSA-N 442.629 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C)[C@H]1C 1594472327 DHAOWCRPCWUFDY-IAGOWNOFSA-N 428.602 4.649 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C2CCOCC2)C1 1594767049 MYXJRAXDCGPGST-FQEVSTJZSA-N 442.629 4.798 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1595434523 DJSJOIIKGBFGEE-VQIMIIECSA-N 431.378 4.965 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 1595447213 UTEGSYRNWKAOEH-UHFFFAOYSA-N 425.783 4.899 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](C)c2ccccc2)C1 1595700678 RASBCPXJXYJFOV-GHTZIAJQSA-N 437.975 4.969 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1595906019 VUAKGNSTNJDADP-JRGCBEDISA-N 428.602 4.645 30 10 IJEE C[C@@H](Cn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1)c1nc(-c2ccccc2)no1 1611586443 BSKBXKHRBQSCHT-SFHVURJKSA-N 447.587 4.850 30 10 IJEE C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1)Sc1ccccc1 1611591040 FZYGQINKNLMCOW-YADARESESA-N 432.597 4.575 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@H](O)c3ccc(-c4ccccc4)cc3)c2c1 1612224063 GNIFSHXTMSWTRE-QHCPKHFHSA-N 425.488 4.936 30 10 IJEE CCCCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccc(S(=O)(=O)N(C)C)cc1 1614597058 XIMWEYOONFHYHH-MUBPVYAGSA-N 430.619 4.985 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCCC1)c1ccsc1 1617631837 BGRJJMYBSYWJPS-QFIPXVFZSA-N 434.613 4.952 30 10 IJEE C=CCOCCNC(=O)c1cc(-c2ccc(C)cc2)nc2nc(N3CCCCC3)sc12 1618654434 LYGZRTHRTXERQY-UHFFFAOYSA-N 436.581 4.589 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2cc(Br)ccc2OC(F)F)c1 1622954600 NUELTDAJWCAQAQ-UHFFFAOYSA-N 427.245 4.937 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 1628572320 IMRVWEHCPSCROH-MRXNPFEDSA-N 427.372 4.694 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Cl)cc1I 1634791380 YWBASGCMNNXGOC-WBMJQRKESA-N 432.733 4.879 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)C1 1641288208 IPVYRPFBICHUSV-LJQANCHMSA-N 438.593 4.579 30 10 IJEE N#Cc1c(NC(=O)CN2CCCCC[C@H]2C[C@H](O)c2ccco2)sc2c1CCCCC2 1642267934 BOFIVGVTPUSRPC-PXNSSMCTSA-N 441.597 4.788 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)COCC 1649540070 TZGNFQYVDOWQHS-KRWDZBQOSA-N 437.613 4.898 30 10 IJEE COC(=O)COc1ccc([C@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)cc1 1653224005 HKHGUPAHBNBDHP-NRFANRHFSA-N 428.532 4.789 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(Sc2ccccc2)ns1 1654310144 XJIIFVVLRACCKQ-OAHLLOKOSA-N 434.587 4.877 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnn(CC(F)(F)F)c2)cc1OCC 1655928489 KPRJVRQLDDHRAJ-UHFFFAOYSA-N 434.256 4.784 30 10 IJEE C=CCOc1ccc(CNc2n[nH]c(C)c2C(=O)Nc2ccccc2OC)cc1Cl 1658083555 CTVKGYZLYQLMON-UHFFFAOYSA-N 426.904 4.809 30 10 IJEE C=CCCc1ccccc1NC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br 1669276195 JOQOKGLJYVRUGE-FQEVSTJZSA-N 433.346 4.774 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 1670716910 XLFMKUDEPMVJDA-UXHICEINSA-N 430.335 4.871 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 1672210242 SMEYGCBHWJHBLR-LJQANCHMSA-N 444.373 4.800 30 10 IJEE Cc1ccc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1C(=O)c1ccccc1 1672527483 GIEVBPMGYMYQCY-UHFFFAOYSA-N 442.494 4.591 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccccc1 1675829684 JWWKGEWBCXYEMQ-DNQXCXABSA-N 429.589 4.911 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@@H]1CCC(C)(C)CO1 1676408489 IGXHEUVFNCHTJK-KRWDZBQOSA-N 427.358 4.881 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 1682246434 JSZOSMNKLKMNFD-HXUWFJFHSA-N 429.358 4.931 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C)c1ccc(Cl)cc1F 1683517229 SZSRIUYENUQDDO-XCLFUZPHSA-N 438.305 4.866 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1683980198 WEOFNYCZLADJGZ-YPAWHYETSA-N 429.605 4.947 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)NC[C@@H](Cc3ccccc3)c3ccccn3)CC2)c1 1684804446 AAQQIIOYXNBIMS-HSZRJFAPSA-N 440.547 4.533 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccc(Cl)s1 1689892196 AIRNVIUYIOPQPV-IBGZPJMESA-N 442.972 4.945 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1689901267 HDGQCXYFNOHQKI-FQEVSTJZSA-N 430.556 4.887 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccc(C)o1 1689920553 BIUSGCNFCYLACG-UHFFFAOYSA-N 443.345 4.667 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(F)(F)F 1690038377 NMBGCFCQJHLCHZ-UHFFFAOYSA-N 432.446 4.838 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1690044871 BODOYJSRRWLPCE-UKILVPOCSA-N 443.639 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCc1nc(C)no1 1690257517 MAUSMPAQWFTDDV-UHFFFAOYSA-N 431.544 4.528 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1scnc1C 1690279674 XLVGERVUMIEVHT-UHFFFAOYSA-N 432.391 4.993 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCCCC2)CC1 1690396431 BJVJRFOFWRNHAQ-SFHVURJKSA-N 428.552 4.655 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1690455370 HGXUQECGZZABAB-HKARXFIJSA-N 448.970 4.867 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1690469034 BLDUDSOPOFCXJF-OTWHNJEPSA-N 429.609 4.799 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690491659 GADDDYCYEOBSMD-IEBWSBKVSA-N 438.494 4.596 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nc(C)cs1 1690565308 GOAROIFUTKBEGI-WIYYLYMNSA-N 437.613 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CCOCC1 1690601338 YNIFSADTGALNKM-UHFFFAOYSA-N 437.371 4.769 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)OCC)C1 1690690364 XHZASQNLMAUWEZ-INIZCTEOSA-N 439.387 4.848 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1690751273 YCOUVYALOXTANL-GOSISDBHSA-N 430.618 4.657 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 1694884132 BXLKWFDVOXXIBG-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc2[nH]ccc2c1 1705545902 SKYXTNHOQWGFAY-UHFFFAOYSA-N 440.370 4.563 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCO[C@@H]1CCCC[C@@H]1C 1705591033 DCXHTFQXPJVQBY-RBBKRZOGSA-N 430.552 4.750 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCOC2(CCCCC2)C1 1705657858 SZQYIGZIMZKXQZ-UHFFFAOYSA-N 431.005 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCc1ccccc1C(F)(F)F 1705675766 AFYMQPCPTCHGCW-HSZRJFAPSA-N 439.485 4.518 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCC)CC1 1705716454 LQQVOLMDQMLQBG-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705721081 KVSVBIYPRVTNCZ-WOJBJXKFSA-N 440.588 4.524 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCO1 1705722471 MWWGBWJQDBWGNF-CQSZACIVSA-N 425.758 4.552 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1F 1705725105 JGZYJQOPNLZYMR-LJQANCHMSA-N 443.567 4.744 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1705776598 JZDYDDRALKULCR-IQGLISFBSA-N 442.579 4.901 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705788545 DWHJOPXHWLNNFI-FQEVSTJZSA-N 445.571 4.570 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2C)C1 1705800291 SZARQBQLFCFQKM-FQEVSTJZSA-N 430.556 4.584 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC1COC(C)(C)OC1 1705812095 QXRNXKMIKMTICY-FQEVSTJZSA-N 442.604 4.836 30 10 IJEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC=C(C(C)(C)C)CC1 1705830677 VIIFCNSSPMNXCH-JOCHJYFZSA-N 438.572 4.566 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1705831867 FVNWVHSVNZNCCS-QFIPXVFZSA-N 445.007 4.835 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1c(CC)nn(C)c1CC 1705834552 NFTNRTBNWFTOSB-INIZCTEOSA-N 442.995 4.600 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)[C@@H](C)CC 1705835220 DNSOIGJTYQRFPZ-HJPURHCSSA-N 425.602 4.796 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1c(C)noc1C 1705866139 IOJWPGPXIHONGH-APWZRJJASA-N 441.601 4.835 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705879688 IICUAUXWFSCVFH-CEMLEFRQSA-N 442.604 4.799 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1705949417 YICZNVMVDBTEIB-RXVVDRJESA-N 428.602 4.554 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722319200 WGLHYXYUJVIGET-UHFFFAOYSA-N 444.627 4.597 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CC(F)(F)CO1 1722403877 IECIQPKCWXIFHN-KRWDZBQOSA-N 446.498 4.696 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1722408244 YUHGIBISWOLJFY-XMMPIXPASA-N 442.611 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCCCc1ccccc1 1722497527 XFXMJDIISFCNRR-VWNXMTODSA-N 431.584 4.780 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722605084 UXFQBBREQHSTMZ-QFIPXVFZSA-N 437.632 4.665 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCC(C)CC2)nc1 1722632433 TZQUUAAFDSSZGL-UHFFFAOYSA-N 436.991 4.900 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1722635352 PHXNRVWDMXEFGE-UWJYYQICSA-N 433.394 4.986 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1)C(C)C 1722667795 XEAHNYHOQYAKCI-RTWAWAEBSA-N 431.669 4.569 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722683340 HBZPPKXLKYTSKR-JOCHJYFZSA-N 436.522 4.958 30 10 IJEE CC(C)N(CCCn1c(CCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1723535630 ALVFWOBWKVDXFN-SANMLTNESA-N 436.648 4.702 30 10 IJEE CSc1cccc(F)c1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@](C)(C#N)C1 1731075239 HFEJIIBVGDQXIN-QHCPKHFHSA-N 436.560 4.688 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCN1CCCC 1740538273 LEIWGRMNEPGBJV-YADHBBJMSA-N 444.627 4.914 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ncc(CC)s1 1740662841 XYDOWYZMTWUWRZ-HNNXBMFYSA-N 429.977 4.598 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)Oc1ccccc1F 1740730722 GYCBFZHEDHMVQE-NSXLHWASSA-N 426.536 4.509 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)c1ccccc1 1740856461 TVCSGCRBCZRIMM-VWNXMTODSA-N 448.615 4.631 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740859466 MDOROFCDWDDBQP-UHFFFAOYSA-N 445.011 4.539 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N(C)C)C1CC1 1740907794 YPJYPEAZRHDMGM-IBGZPJMESA-N 429.927 4.788 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@H](C)CC 1740921288 PLSYABNEFZDGGG-CJAUYULYSA-N 437.563 4.777 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(OC)CCCCC2)C1 1740975159 SUVCSHPQDFSYJC-HXUWFJFHSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)o1 1741003000 NPXLTZFHUFLNNZ-UHFFFAOYSA-N 427.412 4.778 30 10 IJEE CC(C)(C)CCCn1c(-c2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1741201641 BNGNMOQXRCWAKY-UHFFFAOYSA-N 443.599 4.755 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCc1cccs1 1741962474 FDQLAPKRORKEAS-INIZCTEOSA-N 425.533 4.601 30 10 IJEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)C1 1743068015 ACMIOQKDHHIELQ-OALUTQOASA-N 441.023 4.849 30 10 IJEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1747862699 HOSSQYOZADASRU-UHOSZYNNSA-N 433.478 4.583 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@@H]1CC 1748831564 PSYNILRGALCRAU-DLBZAZTESA-N 443.364 4.746 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCO[C@@H]1CCCC[C@H]1C 1748867289 FEMNVDYIMNQIOI-ILBGXUMGSA-N 444.623 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)cc(OC)c1 1749147805 QSMDVBPUVBYUIS-UHFFFAOYSA-N 444.377 4.803 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC2(CCC2)C1 1749200405 FAERSBPVKYDHFE-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1749209403 WYZBJAAUUYUSIY-DNVJHFABSA-N 443.680 4.865 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@](C)(O)c2cccs2)CC1 1749292987 ZXBUTHDBMCDBPX-HXOBKFHXSA-N 442.560 4.683 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1749298161 CTVMTCMJZYQAQQ-UHFFFAOYSA-N 439.947 4.524 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1749309913 RNJYQYYMOXERQD-ZJSXRUAMSA-N 438.616 4.824 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1749312146 CFNLNQCBRNOKKY-HSZRJFAPSA-N 437.632 4.690 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](CC)OC)CC1 1749347134 KQVGDBHXMOYTFJ-QGZVFWFLSA-N 439.387 4.991 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2sc(C)nc2C)CC1 1749348821 ZCOCZBMYVAOFKK-UHFFFAOYSA-N 437.613 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749355669 NBUVSJLNEHDHAZ-LJQANCHMSA-N 444.023 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](OCC)C1 1749357544 UMZXQSOSCITWMN-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1749366579 HIMTYXOTTYXJCA-SIKLNZKXSA-N 440.588 4.788 30 10 IJEE C[C@H]1CCCC[C@H]1OCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 1752117690 FRGKSRJQQVGWGW-WMZHIEFXSA-N 449.555 4.553 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760163078 YACWBLAXFHXKPA-VQTJNVASSA-N 443.636 4.678 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@](C)(CC)O1 1760242021 QULMRXWENZEFAP-SLSDLSHTSA-N 440.563 4.646 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1760281509 TXQVBJLWOPCWAK-GOSISDBHSA-N 438.519 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760316534 TYFOUDSWCYXDPK-VKBFCKQYSA-N 448.970 4.847 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)OC 1760320805 ZZOWPSMSHYOHML-OXJNMPFZSA-N 428.533 4.792 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)C/C(C)=C/c1ccccc1 1760325049 NVHSPVOPBSTPEZ-VBMZMRADSA-N 443.595 4.785 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCN2CCC)CC1 1760382673 WGCZXFZPVDMQNK-FPOVZHCZSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1C 1760441949 AKAOIADAASKWOJ-UHFFFAOYSA-N 436.604 4.799 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCSC1 1760482901 VWPBNMFOKVWSNY-IBGZPJMESA-N 425.627 4.580 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCOC[C@H]1C 1760485918 VQVLRZKKUOWMBH-UYAOXDASSA-N 438.597 4.880 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCCc1nccs1 1760486633 UXEWEVQMPDZOSM-SFHVURJKSA-N 429.615 4.863 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(C)c1 1760490645 DZWZUBMNCDCGHL-UHFFFAOYSA-N 440.389 4.776 30 10 IJEE C[C@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1762839357 FAUXSNNENAESNA-REWPJTCUSA-N 434.632 4.811 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(SCC)c1 1772523022 LOUVRYNPEFSGBN-JOCHJYFZSA-N 438.988 4.541 30 10 IJEE COc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1OC 1860447714 NFNHUGPCRPAJGF-UHFFFAOYSA-N 435.867 4.733 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1 1861052414 GAFYUBOLUWKBJW-QFIPXVFZSA-N 430.976 4.863 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1862099739 XPQRAAICNVCJEZ-AREMUKBSSA-N 430.552 4.637 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccccc2C)cc1 1862389362 DLGGJKBWLNUPSY-DEOSSOPVSA-N 443.547 4.882 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 1862474724 SOOULPBACLGWQO-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1O 1862481087 WOGFPYJSTHOUSJ-BVZALQNUSA-N 435.520 4.866 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)ccc1O 1862492336 PACVPFUNSAOFLW-JOCHJYFZSA-N 449.528 4.858 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1[N+](=O)[O-] 1862547624 ZBXZHPMANBPOKA-IVZQSRNASA-N 434.492 4.850 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862557729 ONYCTJQULFIASY-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862559654 UBWIRSNROGVAMK-POCHDABASA-N 434.536 4.825 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862625719 MKOGMZXHIJAIKB-ZDWFVDTJSA-N 433.504 4.881 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(F)c1 1862724047 IBYISSMJYSCQMZ-QHCPKHFHSA-N 431.463 4.717 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863461145 VJAQDVBWKYQAFM-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCC[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867757066 VNQVSMJKMDEJAH-MSOLQXFVSA-N 448.350 4.590 30 10 IJEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)cc1 1870107857 BKIOKMZQOJBDOL-UHFFFAOYSA-N 428.323 4.639 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870110978 QYIJQQHGEVQTDS-STQMWFEESA-N 446.725 4.900 30 10 IJEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870809497 GNWQJAILYHDDJT-UHFFFAOYSA-N 432.568 4.623 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccc(Cl)cc2C)cc1=O 1870838685 PECPZHLICWWTHV-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871219217 AMPUFDLNTXWPOI-UHFFFAOYSA-N 444.535 4.679 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 1872028049 IMXNCMIIHGYCPV-QFIPXVFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(OCC)cc1 1872213803 RCPLZRBFNZNCTE-SFHVURJKSA-N 444.597 4.587 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872249949 OCDCUFDTQKLYPW-JOCHJYFZSA-N 428.598 4.986 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2cc(F)c(F)cc2F)C1=O 1873057765 BZUBXXQQNDIDHY-UHFFFAOYSA-N 445.485 4.729 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(-n4cccc4)cc3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873197637 VFBXOESNRZBZOM-UHFFFAOYSA-N 444.494 4.741 30 10 IJEE COc1cccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCC3=CCCCC3)C2=O)c1 1873216347 DXQOKRZQYIGUOE-UHFFFAOYSA-N 427.504 4.649 30 10 IJEE CCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Br)C1=O 1873249990 IQUATEVUFVDMJB-UHFFFAOYSA-N 438.325 4.703 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(NCc3ccccc3C)ncnc21 1873618485 BVRPAMRCNUPXMT-UHFFFAOYSA-N 441.491 4.519 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(N3CCC(C)CC3)ncnc21 1873644570 WYQUHWVPWSTAHV-UHFFFAOYSA-N 444.583 4.706 30 10 IJEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(O)cc1O 1874202909 VIAXGQHQYPKDPE-ZMOGYAJESA-N 440.569 4.868 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCCO)cc1 1874281441 JKRUDISCRCCRSB-PCLIKHOPSA-N 443.016 4.981 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2/N=C/c2ccc(OC(C)C)c(OC)c2)cc1 1874302073 GMXQWBIHWSCPPS-BUVRLJJBSA-N 440.569 4.668 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc[nH]1 1874312671 HBRJGZSLELGYEU-WGOQTCKBSA-N 431.565 4.883 30 10 IJEE Cc1ccccc1CCc1nnc(SCCO)n1/N=C/c1c(Cl)cccc1Cl 1874363958 FYBMELKIXYKIFP-YDZHTSKRSA-N 435.380 4.645 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1 1874379938 UEMDKZVVWVJRMH-CVKSISIWSA-N 446.507 4.881 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)C)cc1 1874512315 RDHLTLSKWDZZQF-ZVHZXABRSA-N 437.569 4.722 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)cc1 1874516973 NZOTYINXYAXRFC-PCLIKHOPSA-N 448.596 4.615 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1c[nH]c2ccccc12 1874525435 MVKDUFGFRJEYOL-DHRITJCHSA-N 432.553 4.552 30 10 IJEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874533291 AYKLMCHXPHCWPR-DNTJNYDQSA-N 438.296 4.682 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccco3)c2)cc1Cl 1874600079 RMGWDJBHMVWJPC-VQHVLOKHSA-N 425.868 4.533 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)c1 1875145395 KIRAWWYCNRWKRO-VQHVLOKHSA-N 428.481 4.569 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@H](C)C1)n2CCOC 1875225115 AOVCLNJTXFMPNT-IBGZPJMESA-N 429.609 4.722 30 10 IJEE CC(C)[C@H](Cc1ccccc1Br)C(=O)NCC#CCN(C)Cc1ccccc1 1891178290 SFGFDXOFPWDZHT-QFIPXVFZSA-N 441.413 4.515 30 10 IJEE CC#CCN(C[C@H](O)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1900649835 VPMREHYGOWUAMY-AWEZNQCLSA-N 447.167 4.505 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(O)CCC(CNC(=O)OC(C)(C)C)CC1 1922057055 HTKVOLIEYJSMRW-JEPVQIMHSA-N 446.632 4.574 30 10 IJEE N#Cc1csc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951594066 ZEPKGRLGELCPPB-MRXNPFEDSA-N 432.501 4.717 30 10 IJEE CC(C)(C)OC(=O)N1CC(CCCCNc2cc(Br)c(C#N)cc2F)C1 1965553639 XWCCKNMSFPQDMT-UHFFFAOYSA-N 426.330 4.909 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCCC[C@@H]1C#N 1984694345 JGJSUDXIZXHRDL-ZYKLXPEUSA-N 445.563 4.748 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2023408647 RGVHJYPEYYQPBJ-SBUREZEXSA-N 437.581 4.521 30 10 IJEE CC(=NOC1=CC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O)c1ccccc1 2053624640 PBYHZTBIBPTECE-UHFFFAOYSA-N 444.512 4.694 30 10 IJEE COCOC(C)(C)C#C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H](OC(=O)c3ccccc3)CCC[C@]12C 2060472136 KZCGXVQSDRGSNX-FDIKSZOVSA-N 442.596 4.828 30 10 IJEE Cc1nn([C@H](c2ccc(C3CCC3)cc2)C2CC2)c(I)c1C=NO 2079905010 UUIXWJOOGFGRDS-GOSISDBHSA-N 435.309 4.871 30 10 IJEE CC(=O)Oc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080106178 UZDLFQVIJAEMCH-OAHLLOKOSA-N 430.249 4.562 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 2080495988 CGVLXSKMOXGKHL-UHFFFAOYSA-N 445.910 4.741 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2ccc(C#N)cc2Br)(C(F)(F)F)C1 2167671756 HSROBONXILUJPY-KRWDZBQOSA-N 448.283 4.922 30 10 IJEE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cnc1C#N 2174712301 NQRXXSJGMRKHNZ-OAHLLOKOSA-N 437.382 4.579 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OC)c(Br)c1OC 2183072792 FKWYTJYWJPSBIZ-YOEHRIQHSA-N 443.382 4.586 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Br)cc(OC)c2)C1 2201025845 HKIIKEDPXQVEDF-GOSISDBHSA-N 439.394 4.969 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@](C)(NC(=O)OC(C)(C)C)C1CCC1 2235724478 IIZDGORVHSGMFN-PGRDOPGGSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 2235729453 TWQXVUBCLDVSEE-PMACEKPBSA-N 435.406 4.862 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)c1c(F)c(F)c(Br)c(F)c1F 2256036280 WIFSJZOTOKESMD-ZETCQYMHSA-N 426.204 4.658 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2281477502 NAXWRZCWQUCJRQ-MJGOQNOKSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2288414131 PYQMBHDHRQUZMQ-GSHUGGBRSA-N 432.358 4.843 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 2296216548 LQMKYZYMTCMWQP-HSALFYBXSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@H](N)C#Cc1cccc(Br)c1 2296220172 VNPAMXJEMLNHMV-MISYRCLQSA-N 435.406 4.992 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(CN(C)C(=O)OC(C)(C)C)o1 2296279430 OSVYFMRXFUOCPI-SFHVURJKSA-N 433.346 4.721 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](N)C#Cc3cccc(Br)c3)C[C@@H]21 2296288439 HCZBSASKJLQASN-ZULIPRJHSA-N 433.390 4.554 30 10 IJEE O=C(CCSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1ccccc1Cl 2313800496 RCFPYLRALYUAGG-UHFFFAOYSA-N 426.933 4.690 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc2cc[nH]c2c1 2321880551 IDVAZGHAFASZDN-UHFFFAOYSA-N 433.537 4.673 30 10 IJEE COc1ccc(OCc2nnc(S)n2N=Cc2ccc(Cl)cc2)c(C(C)(C)C)c1 2322284120 LANSBCJGWZYASA-UHFFFAOYSA-N 430.961 4.988 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3)C4=O)C2)cc1OC 2322420918 JLEVWVNZWMFKGO-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2322667448 DUONCLUYVMIFSE-UHFFFAOYSA-N 443.499 4.934 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccccc2OCC(=O)OCC(C)C)c1 2322860080 DRLUUYWZLUTVEC-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)cc1OC 2322924902 QVAPKXPJFHKJJS-UHFFFAOYSA-N 439.291 4.767 30 10 IJEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2324305038 SWMJNXCDDVRDOE-ZDUSSCGKSA-N 431.282 4.784 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2324402041 BUNXZKPQAAZUBD-INIZCTEOSA-N 443.455 4.746 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324651779 PNGXVJJPFYDRJP-UHFFFAOYSA-N 449.503 4.926 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccnc2)cc1 2325441919 BVOASHCUPMSBQF-UHFFFAOYSA-N 444.520 4.541 30 10 IJEE Cc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(O)c(Cl)c1 2326615548 IQKCNVZJGDVLBV-UHFFFAOYSA-N 437.750 4.883 30 10 IJEE CCOc1cc(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SCC)ccc1O 2327175085 QFEXOQZPULRQAP-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)COc1ccccc1 2330794901 SYFPNQOLXLYVHG-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(OC)c2)c(OC)cc1Cl 2331693869 UKNGAYYHDDWCGI-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339595680 KPKFBEKJZUGALS-QJPGBWLHSA-N 443.397 4.830 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2360196058 JFFMYXTVLNHIJE-HOJAQTOUSA-N 435.406 4.862 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(COC)c1 2362279775 YBVMPUJHIICAEM-RTBURBONSA-N 439.394 4.553 30 10 IJEE CC#CCN(C[C@H](NCCC)c1ccc(Br)cc1OC)C(=O)OC(C)(C)C 2363129970 HKPNFORFMPVQSZ-SFHVURJKSA-N 439.394 4.759 30 10 IJEE CC#CCCC[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366705040 SYAMVEQYAHAWMU-NSHDSACASA-N 426.703 4.732 30 10 IJEE CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccccc21 3042823 SKRRCVMIUZZGCR-QYQHSDTDSA-N 432.524 4.626 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(O)c(OCC)c2)cc1 5923922 JADZXABIVRLRAS-JOCHJYFZSA-N 449.459 4.566 30 10 IJEE CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 9861145 NKCJGFFFGJNGCZ-HXUWFJFHSA-N 428.319 4.995 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2cccc(Cl)c2)NCCc2cccs2)n1 14159065 YPWPOJMPQTXAHT-UHFFFAOYSA-N 428.949 4.641 30 10 IJEE C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1C(C)C)C(=O)CC(C)(C)C 36040424 FUCYBLBJOXHWPE-UHFFFAOYSA-N 445.629 4.697 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2OC)C4=O)cc1 41645028 ANGIEZJQBPJPNG-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N/N=C\c3ccccc3O)N(Cc3ccco3)C2=O)cc1 47138159 QEYGCXXBPHYFLB-QXZAMSPYSA-N 446.532 4.558 30 10 IJEE CCOc1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCc3ccco3)C2=O)cc1 59489265 RBKUJFAHRKHQES-OAQYLSRUSA-N 449.532 4.521 30 10 IJEE CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C/c2ccc(SC)cc2)C1=O 101647720 OPNWTQYYOJYTFY-SFQUDFHCSA-N 442.518 4.860 30 10 IJEE CC(C)c1ccc([C@@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN(C)C)cc1 103103600 DIZOTUQIGADFMH-QQYUXEJHSA-N 446.547 4.930 30 10 IJEE CCc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 138334710 KAQMBPBZAUZKEA-BVYKJPLMSA-N 446.528 4.655 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 169928057 SMIZLUPHLPVGCD-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE CCCN1C(=S)N[C@H](c2cccc(OC)c2OCc2ccccc2)C2=C1CCCC2=O 169929978 XRRITUWEHZACPD-HSZRJFAPSA-N 436.577 4.923 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc(C)c2)c1 169966112 GQCYCUJRAYXDGW-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccccc1OC(C)C 169976394 RZFWTRVHXIQQBA-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(F)cc2)s1 170064142 JYANJZGFOHTVHD-SFHVURJKSA-N 444.434 4.960 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)c1 170117758 SJXZMLOXLJAULW-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170150148 GPAUOHMLFCKFJI-HSZRJFAPSA-N 448.563 4.801 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)ccc1OC(C)C 170162200 FXRHUDCQQPKYFY-UTKZUKDTSA-N 441.549 4.601 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccn2)c1 170169368 VBDIVSZGCBNXSB-NRFANRHFSA-N 436.414 4.541 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@H]3c3cccnc3)oc12 170189426 OWLNHTRMTMZORA-QFIPXVFZSA-N 440.455 4.928 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1C 170208182 ZBXIHJZZTDFTLI-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C)o2)cc1C 170307410 IWWLWEUCQGFZIQ-QHCPKHFHSA-N 446.503 4.859 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1cccc(F)c1 170313716 XDIXJBYOJPLYIW-HXUWFJFHSA-N 435.476 4.913 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 170446256 PZLSBXSQGKKJLM-HSZRJFAPSA-N 440.971 4.959 30 10 IJEE COc1ccccc1/C=N/N=C1/S/C(=C/c2ccccc2F)C(=O)N1Cc1ccco1 210596873 XVVAIOGFRRUUQI-IBTWPMPSSA-N 435.480 4.934 30 10 IJEE N#Cc1ccnc(NC(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)c1 436014609 RZGDLDHZHMPGIL-LJQANCHMSA-N 426.245 4.614 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 508912176 DZPDAUNZRDQFEM-JLHGSKIFSA-N 440.494 4.849 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c(OC)c1 526606325 DWRZYOWBKLJWTA-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2O)cc1 526707513 HFDZOHZHAZNYIM-QFIPXVFZSA-N 448.906 4.895 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(OC)c(O)c1Cl 526811290 GVVWFAJDRSDOBI-KSEXSDGBSA-N 430.961 4.999 30 10 IJEE C=CCN(CC=C)C(=O)NC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 586096327 RELOBHBTPSPQPK-UHFFFAOYSA-N 431.580 4.583 30 10 IJEE Cc1cccc(OCCCC[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 586346966 JLWFUFWLPFBXAT-NOVUIFNWSA-N 444.622 4.599 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 586652128 DVEGRHLHINFDLV-UHFFFAOYSA-N 438.959 4.508 30 10 IJEE CCOc1cccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC)c1 743735076 CRVNFOVEWQBYJT-SFHVURJKSA-N 431.945 4.719 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)N(C2CC2)C(=S)N[C@@H]1c1scnc1C 743740943 CFIQPIPHQFBUNR-INIZCTEOSA-N 448.411 4.608 30 10 IJEE CC(=NNc1cc(C)ccc1F)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 759651925 DCTWIZBMFDNDMR-HSZRJFAPSA-N 445.498 4.732 30 10 IJEE N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 772644340 GVLXMUXAZGAUQQ-HNNXBMFYSA-N 447.800 4.790 30 10 IJEE COc1cc([C@H](NCc2cc(Cl)ccc2OCC#N)C(F)(F)F)cc(OC)c1OC 778992200 FWRYNOVMVVXFRT-IBGZPJMESA-N 444.837 4.661 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC2(CC1)OCCO2 812175503 GVAVIPZQZVAJBE-SFHVURJKSA-N 446.979 4.608 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 887086481 OYCLKSVPHKEOQL-GOSISDBHSA-N 425.554 4.573 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2c[nH]c3ccccc23)n1)Nc1ccc(Cl)cc1 1084373775 PBDUHEXYMPROCD-UHFFFAOYSA-N 439.932 4.506 30 10 IJEE Cc1ccc(C=NNc2nc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n[nH]2)o1 1084401289 XCRMUHCAXZJQIE-UHFFFAOYSA-N 444.605 4.738 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H](C)Sc2ccccc2S(=O)(=O)CCC)c(OC)c1 1124175683 IEHFXZUNLWGXID-MRXNPFEDSA-N 434.579 4.694 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 1125401041 KBZQAGKJDHYAFE-OAHLLOKOSA-N 432.442 4.888 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2coc(/C=C/C(=O)OC(C)(C)C)c2)cc1 1125466765 ZJZKEUDGCWFIHW-OUKQBFOZSA-N 436.508 4.701 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cnc3ncc(Br)cc3c2)C(F)(F)F)cc1 1128867275 UHEXJONKDGEFEK-MRXNPFEDSA-N 435.199 4.834 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCOc2ccc(F)c(Cl)c2)s1 1129042609 JJLULBJKTPATCF-UHFFFAOYSA-N 435.373 4.826 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)ccc1Cl 1129530572 VXKYZLSFRJXQEG-GMAHTHKFSA-N 447.000 4.886 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccn1C 1137017037 SLOBKZNBBNFNOH-RUZDIDTESA-N 443.547 4.515 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](CCCc4ccccc4)C3)n[nH]2)c1C 1137663148 WFAWHSKAGUZCTL-QFIPXVFZSA-N 431.584 4.951 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)ccc2c1=O 1141635487 CDXUXZONFUZGSD-JOCHJYFZSA-N 445.519 4.530 30 10 IJEE C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1cccc(C#N)c1 1155244460 GLUXWYOYRVOYPP-OAHLLOKOSA-N 439.924 4.503 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Br)cc1 1159634043 IOGBIWIEJOPKFZ-RBUKOAKNSA-N 443.341 4.506 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2ccccc2F)C[C@H]1C 1169927310 DUOAQXBEUKUARR-SJORKVTESA-N 440.588 4.565 30 10 IJEE C#CCCOc1ccc(CNCc2ccc(I)c(Cl)c2)cc1 1178571663 WOSSORHSAIZNBB-UHFFFAOYSA-N 425.697 4.637 30 10 IJEE Cc1ccc(Oc2ccccc2)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1201606547 HMBDKIVEWVDGTP-YLJYHZDGSA-N 436.512 4.668 30 10 IJEE C#CCOc1ccc(CNC(=O)NC[C@H](CC)Cc2cccc(Br)c2)cc1 1222039117 FKHKRPGQLBFCAB-QGZVFWFLSA-N 429.358 4.529 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)cc1F 1252480350 WVUQNNACSZOLBZ-MONBJTKQSA-N 427.951 4.848 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1253966363 PBHMRTXRTZRQIU-LJQANCHMSA-N 433.959 4.623 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Br)c(F)c2C)CCCN1C(=O)OC(C)(C)C 1278849982 DCDOSUHGVQKKIC-FQEVSTJZSA-N 439.325 4.628 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC(CN2CCCCCC2)CC1 1286319631 OZXMKPUPDNTLEY-UHFFFAOYSA-N 437.607 4.980 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1 1286341274 CRIARNDJTDYPEF-JOCHJYFZSA-N 447.558 4.815 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)C1CCCCC1 1286424305 WQFPPBXTSQVGFG-XMMPIXPASA-N 442.966 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1cccc(Br)c1 1286549335 XNOBCXMPVPQMEX-HKUYNNGSSA-N 433.394 4.782 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1 1286582782 FMBIBWVZBLJMJZ-JOCHJYFZSA-N 447.004 4.882 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCc2ccc(Cl)cc2C1 1286611048 FXNFZGLRXDCGHH-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCS2)CC1 1286656499 ZBCNBYCPMHWDKM-LJQANCHMSA-N 428.602 4.650 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](CC)N2CCCC2)CC1 1286665111 SFYVTNSSMPTFCT-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286666810 FLPMGARCRVVBQH-HXUWFJFHSA-N 442.007 4.792 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 1286673671 XFLKYJGNHXYPFH-UHFFFAOYSA-N 444.627 4.579 30 10 IJEE C=CCCCCCN(C)c1nnc(CC(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1286680931 OAODWBXSBGYJOS-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)c1ncc(C)s1)C1CC1 1286739729 MNWCTAGQWJEEJR-OAHLLOKOSA-N 427.549 4.720 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(CC(C)C)CC1 1286742672 SIZCIMKIXHGPRR-UHFFFAOYSA-N 427.556 4.626 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCN1CCCC[C@H]1CC 1286749232 NTZOLUSJGZNESA-LEWJYISDSA-N 443.661 4.691 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(Br)s2)C1 1286800565 MYWQKVGDGUIKPC-CABCVRRESA-N 439.423 4.640 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2cccs2)C1 1286805475 SNKUSYITNQEMCO-GOSISDBHSA-N 446.523 4.632 30 10 IJEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1287405980 DKJKILIFDLOHSB-UHFFFAOYSA-N 446.555 4.500 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)C(=O)OCC 1288354077 CYZMIIGBHISGPL-QGZVFWFLSA-N 431.945 4.677 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)on1 1291976646 HPTAZXIFLLGDNU-VWLOTQADSA-N 443.555 4.887 30 10 IJEE C=CCNc1ncc(C(=O)Nc2cc(OCC)c(OCC)cc2Br)s1 1292039145 UAQLKYDOPCJQPL-UHFFFAOYSA-N 426.336 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(F)(F)F)cc1C 1300286660 MCIJFEQITZKPSI-AWEZNQCLSA-N 433.865 4.827 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@](C)(CC)C1 1300742263 CLVPTKHYTJLOQJ-QHCPKHFHSA-N 444.670 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCC1(OC)CCC1 1300788761 LNNQFECTEIPNOO-OAQYLSRUSA-N 443.389 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1)C(C)C 1300884860 MJKOQKCGNGTJCM-FUDKSRODSA-N 442.579 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1300887197 ALEGGUUEAACXSE-DHLKQENFSA-N 449.574 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(C)C)C1 1300889497 QSDDJERNYZULJF-LGVFNWMJSA-N 426.580 4.862 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1300988819 KCQVGZTVNOLDJG-LJQANCHMSA-N 438.494 4.768 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCSC2)CC1 1301072212 FLDFGLDIUDACCU-MRXNPFEDSA-N 433.419 4.926 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1301119644 QTNAOJWXKUIECR-GOSISDBHSA-N 439.604 4.817 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1301137743 WYWDKDHGVZGJAO-UHFFFAOYSA-N 445.011 4.907 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301155091 HEGQXSNMQUOJAC-UHFFFAOYSA-N 427.637 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301160943 ZGDBFNXKTCFXSQ-PXNSSMCTSA-N 432.996 4.974 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)CCC)C1)c1ccccc1 1301162828 CQCYNZLRVAFNOH-VXKWHMMOSA-N 446.599 4.518 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2cccs2)CC1 1301190459 STAGBIVRSNJBTG-UHFFFAOYSA-N 439.604 4.748 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCc2ccccc21 1301357611 QKWKJHBOFHFEBM-FQEVSTJZSA-N 449.624 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(F)(F)F 1301358005 ULZASNGQBWZGLJ-UHFFFAOYSA-N 449.502 4.964 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1302151023 GKAYKRYMONPESL-AREMUKBSSA-N 448.615 4.784 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2ccc(Cl)cc2)n1CCc1cccs1 1303012301 CLNLBFOOQGPZOO-UHFFFAOYSA-N 425.989 4.957 30 10 IJEE CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1309457831 CWSNTXBIEJQHEX-UHFFFAOYSA-N 438.210 4.854 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 1310745521 BZPIHLNDXGMRLO-OAQYLSRUSA-N 437.565 4.901 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21)c1ccc(F)c(F)c1 1312538515 ZWHXZJJYRMPXHZ-WEFJBSGNSA-N 433.296 4.982 30 10 IJEE C=CCC1(CNC(=O)N2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCC1 1312687510 XZLXNLOXCLJMIN-NRFANRHFSA-N 449.636 4.571 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1313003121 XDWJXWVUXVYTEJ-XDNAFOTISA-N 447.542 4.856 30 10 IJEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)c2C#N)C1 1347983245 CQWLSEOFLFXZHJ-INIZCTEOSA-N 441.572 4.999 30 10 IJEE CN(Cc1ccccc1)c1ccccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1355725378 FHDRLCPWIBATIV-NRFANRHFSA-N 428.511 4.799 30 10 IJEE COc1ccc(C[C@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1OC 1358155612 GSQWBELNJPNZDB-CYFREDJKSA-N 428.532 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cscc1C 1358878843 FMUBJUOMFATSPG-OAHLLOKOSA-N 429.387 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCOC1CCCC1 1358883039 MLJGQBMTSKYNJL-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCSC1 1358935136 YUCPDRWWLMINKJ-OAHLLOKOSA-N 425.385 4.519 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(CC)CC#C 1359049506 QUBPCJJYSFNIBU-GOSISDBHSA-N 431.005 4.514 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1359090555 CQCRKTGFJBXTAZ-NQAVQENRSA-N 426.580 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)COC 1359108158 DLOGHAXYBSNWGZ-CQSZACIVSA-N 425.346 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCN(CCC)CC1 1359108397 MJLCQXSCZRQQSC-UHFFFAOYSA-N 447.631 4.860 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1359123305 YBTLNOMLKCFAII-UHFFFAOYSA-N 444.626 4.882 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@@H](C)C1 1359127853 CCNMZAAADLJVQV-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)COC)CC1 1359168762 ICRQRMYXCAXRAN-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCNC(=O)C2CCC2)CC1 1359173438 GJTLSNRVKZCFFC-HSZRJFAPSA-N 435.616 4.529 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1cccs1)c1ccccc1 1359193508 FKOFBWYPUPLBQR-HXUWFJFHSA-N 432.597 4.779 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1359248192 DHZCSETYOZQDPY-OAHLLOKOSA-N 439.585 4.686 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1359248980 JTSMKFJLCINRAW-BGYRXZFFSA-N 432.616 4.728 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@H]1C 1359262131 ITIPHQOBQBKDNN-QGZVFWFLSA-N 443.020 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)C1CC1 1359267817 SYRBKRQGVKUDTG-SANMLTNESA-N 431.584 4.692 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1359279428 GGCWNOIZSVCXPP-KESTWPANSA-N 441.938 4.890 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1436276054 STBMGPNQDVSSBX-UIFIKXQLSA-N 425.529 4.658 30 10 IJEE C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCc2nc(C#N)ccc21 1437268475 BJWYJDFIBSOPFR-CQSZACIVSA-N 438.940 4.863 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1OC 1441344204 UULDDRDEJLFBJH-HLXJENQHSA-N 440.971 4.880 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(Br)c(C)cc1Br 1445026021 FGKPJYILLZWUPA-UHFFFAOYSA-N 441.094 4.923 30 10 IJEE CC(C)(CN1CCOCC1)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1451653410 FTYNZKRQUXTOQO-UHFFFAOYSA-N 429.973 4.660 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)c3ccc4ccccc4c3)ccc2c1=O 1454506112 MPHLRDMNRVNZLE-UHFFFAOYSA-N 443.572 4.732 30 10 IJEE C#CCOc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 1456313178 BKWKPTBMHPCNBQ-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@H]1n1cccn1 1460147918 CVKDEIUDQSDIEZ-QZNHQXDQSA-N 446.576 4.833 30 10 IJEE C=C(Cl)C[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)OCC 1462155826 KWGLSEILVLTLDZ-INIZCTEOSA-N 430.957 4.870 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Br 1463559210 IMMSABSKGSLKMW-UHFFFAOYSA-N 430.751 4.801 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1464257014 JZZHVQBLOVYJAU-RUZDIDTESA-N 430.564 4.953 30 10 IJEE C[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)N(C)Cc1ccccc1 1466519882 FWTQSKOCHXFXQO-IBGZPJMESA-N 444.583 4.683 30 10 IJEE COC(=O)c1ccccc1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 1472071892 DRICZYXYAUKXBU-UHFFFAOYSA-N 430.529 4.610 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 1473131681 JPVUYYWAEJMYEZ-HNNXBMFYSA-N 438.503 4.975 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccc(C(C)C)cc2)nn1-c1ccccc1)CC1CC1 1473286323 BELNELHSGYFIGI-UHFFFAOYSA-N 426.564 4.946 30 10 IJEE CC[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)NCc1cccs1 1475950161 CSGSUFIFQAEWBE-FCHUYYIVSA-N 432.549 4.620 30 10 IJEE COc1ccc2c(c1)CCC[C@H]2CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1475957200 BBVLRBWGPJTJGC-IBGZPJMESA-N 428.492 4.996 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@](C)(O)c2cccc(F)c2)cc1 1476082508 BHBISQDFPFZISM-DEOSSOPVSA-N 435.455 4.527 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1C#N 1476626478 BASKHHKAJMZQCU-UHFFFAOYSA-N 433.512 4.514 30 10 IJEE C#C[C@@H](NC(=O)NCCOc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1477839419 UEEHPWOITPLLCE-MRXNPFEDSA-N 441.247 4.520 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCCc2ccccc21 1478313405 RWXYXFWHSXAEGD-JPYJTQIMSA-N 425.935 4.780 30 10 IJEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCCC(F)(F)C2)cc1 1504215286 BNRXIVJIKBDCFK-AZUAARDMSA-N 445.558 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@@H](C)C1 1507520690 FUPQIOQGUJTFNQ-OWCLPIDISA-N 431.378 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1c(C)sc(C)c1Br 1507542738 SFJXNRJHJLHLLX-GFCCVEGCSA-N 449.443 4.877 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1507573615 IAHZYGSPCXOCAS-JOCHJYFZSA-N 438.641 4.935 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1507832207 SXSAFRXWAYSAOO-QUCCMNQESA-N 431.625 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](SC)C(C)(C)C)CC1 1507877621 LVJGSLCBEMHRNN-FQEVSTJZSA-N 430.618 4.896 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1507879053 PROOINMJNIYIIX-QGZVFWFLSA-N 439.947 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)c2cccs2)CC1 1507897737 LBYFIBZJBXQQCA-JOCHJYFZSA-N 428.989 4.970 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCOCC(F)F)CC1 1507898481 SASJIPLDGZCRHI-UHFFFAOYSA-N 441.526 4.876 30 10 IJEE C=CC1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)CC1 1507905521 AYADVNBDOUQNPV-LJQANCHMSA-N 433.478 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507919514 PFFUJZIZQROOMQ-OAQYLSRUSA-N 443.419 4.820 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccccc3SC(F)(F)F)CC2)c(Cl)c1 1524847841 GCCAUGQZZBNTDX-UHFFFAOYSA-N 425.863 4.786 30 10 IJEE C=CCCO[C@H](C)C(=O)OCc1cc(Br)c(Cl)c(Br)c1 1525107198 IIMJCOSIQBGENZ-SECBINFHSA-N 426.532 4.889 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H](CC)c2ccc(OC)cc2)nnc1-c1ccco1 1527499197 HITRLZWWUKYEHJ-SFHVURJKSA-N 427.526 4.909 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)C1CCOCC1 1533500761 KWAYCRLDNIOWCF-NRFANRHFSA-N 449.348 4.823 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(C(F)(F)F)cc1 1534432796 DKQAUVZXWJKYMK-YADHBBJMSA-N 432.486 4.730 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1534588172 JEIXYPOUGVBPJV-QGZVFWFLSA-N 444.572 4.688 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 1536181505 WJRJEMZPMWUIRX-UHFFFAOYSA-N 434.414 4.880 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccccc2F)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1537317325 QWDIRZNQQGJLHG-NRFANRHFSA-N 438.524 4.752 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCCCCC1 1539295660 DSNCNSBZRDFOHS-QHCPKHFHSA-N 448.611 4.583 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1539586128 GSGAUWCSYBBIBA-ROUUACIJSA-N 431.378 4.519 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CCC1 1539586598 MKOONUXHVAEQGL-UHFFFAOYSA-N 440.183 4.913 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC=C(C)CC1 1539620628 MJWOPJBPAWPILJ-AZUAARDMSA-N 443.389 4.845 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2ccncc2)CC1 1539829229 WEEZMMZEGMGXJL-HXUWFJFHSA-N 433.556 4.611 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCSCC(F)(F)F)CC1 1539892368 ZQZVMNZGXLIJSE-UHFFFAOYSA-N 440.535 4.575 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 1540028577 GGZCLBPLIWNFLY-OAHLLOKOSA-N 439.387 4.848 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1540039556 AZTNFIGIBBFSSY-JOCHJYFZSA-N 437.613 4.876 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1540086862 FEUXBJZZNSIFHL-IBGZPJMESA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCC[C@@H]1C 1540128633 NZQXPLMCJAJAAL-FNZWTVRRSA-N 433.600 4.626 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1N(C)CCCC1(C)C 1540133202 CYKSZKZMJJAABW-HSZRJFAPSA-N 448.590 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@H](C)C1 1540158399 GHWPTZVISUHERE-SJORKVTESA-N 431.378 4.701 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C 1540169053 YSSQQDPJYBDMSU-MOPGFXCFSA-N 429.609 4.617 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CCN1CCC(C)CC1 1540184544 DSEIMBVNALMPMH-UHFFFAOYSA-N 433.600 4.814 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(CCCC)oc3ccccc23)cc1 1540435336 KXTRDCWBSAGJLI-UHFFFAOYSA-N 440.565 4.512 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1541512983 CRKFMIHSZWJFCN-UHFFFAOYSA-N 437.588 4.671 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2noc3ccc(Br)cc23)C(F)(F)F)cc1 1544661324 GMFYEKNRTJCMEM-SFHVURJKSA-N 438.199 4.961 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N3C[C@@H](C)C[C@H](C)C3)C(C)C)o2)cc1 1559384179 AKEZRFYSPRQWTG-ZWOKBUDYSA-N 429.586 4.923 30 10 IJEE N#Cc1cc2c(nc1OCc1nc(-c3ccc(Br)s3)no1)CCCCC2 1559455894 GBIFAMRMPNXWAM-UHFFFAOYSA-N 431.315 4.675 30 10 IJEE C[C@@H](c1ccc(Br)cc1)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1559977777 DPLOWFPJIMQQBL-INIZCTEOSA-N 436.357 4.594 30 10 IJEE C#CCN(Cc1ccc(OC)c(OC)c1F)[C@@H]1CCOc2ccc(Br)cc21 1560702175 LTZCOKSDCVEGSW-QGZVFWFLSA-N 434.305 4.564 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1 1561445469 JZJARVZHQVPCGV-UHFFFAOYSA-N 440.790 4.968 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@@H](COCCC)Cc2cccc(Br)c2)cc1 1562371053 UEEOGZQOANAKQI-HXUWFJFHSA-N 445.357 4.621 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cc(Cl)ccc2OC)[nH]n1 1570722818 DWXCDYMZIGVTAE-INIZCTEOSA-N 448.951 4.927 30 10 IJEE C#C[C@H](NC(=O)[C@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1583549260 HRKHLJMXXVWXQD-PZJWPPBQSA-N 442.918 4.944 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)C1 1584653867 RAXFYBGLDSFDBL-MRXNPFEDSA-N 434.337 4.935 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccc(Br)cc1 1584707820 GKPZBCKQNGCLCC-GOSISDBHSA-N 437.293 4.707 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 1587538487 BQAYEAFCSDHOLU-UHFFFAOYSA-N 442.268 4.842 30 10 IJEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CC1CCC(C(F)(F)F)CC1 1587957435 FAONLAHBTQPRHT-UHFFFAOYSA-N 427.474 4.931 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H](OC)C2CCCCC2)nnc1-c1ccc(Cl)cc1 1588195026 CSVOKUQMEKRBHD-LJQANCHMSA-N 449.020 4.588 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCCSC 1589295675 JHEFHRVFSVLHBC-CQSZACIVSA-N 443.386 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1 1589515483 OANOUKMEJFMAOH-KXBFYZLASA-N 447.352 4.554 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cccc(OC)c2)C1(C)C 1593639739 ZKCSKTHRZHFDKZ-RBUKOAKNSA-N 436.980 4.826 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ccc(C)s1 1593763430 KIHIBVZNWDOWJN-UHFFFAOYSA-N 435.597 4.880 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C(CC)CC)N(C)C)CC1 1594226170 HSMUDJMTLXTEAZ-QFIPXVFZSA-N 425.621 4.723 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOc2ccccc21 1594907270 RHSZPHMPWKBPME-AWEZNQCLSA-N 445.386 4.958 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)c1ccsc1)C1CC1 1595027006 VRNZOIQVUMBMON-HJPURHCSSA-N 442.560 4.681 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC 1595119591 ALPOYHCNWWPGMT-BGYRXZFFSA-N 425.577 4.651 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CCc1cn2ccccc2n1 1595134268 XZHZKBUVHSCEOE-UHFFFAOYSA-N 432.547 4.699 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1)c1ccc(F)cc1 1596936626 NLNNKJGIXGTKJN-QHCPKHFHSA-N 425.463 4.791 30 10 IJEE CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1613061017 DLTXUZHFUOXKOB-IBGZPJMESA-N 436.585 4.596 30 10 IJEE C=CCCn1cc(CN[C@H](c2ccccc2)c2ccc(OC)c(Br)c2)nn1 1620788479 MFSXLSUKAPUNQK-OAQYLSRUSA-N 427.346 4.505 30 10 IJEE Cc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2F)c2ccc(F)cc2Cl)cc1 1621775231 ATLQBEAVNOMIFI-NRFANRHFSA-N 432.879 4.866 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1 1624203730 QSSKVHGXIDDMNS-PKOBYXMFSA-N 434.349 4.605 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 1624442650 PRFUQGBQSVZGDJ-BEFAXECRSA-N 434.378 4.942 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1 1625197734 XYOSKXYINIPZRN-LADGPHEKSA-N 440.609 4.610 30 10 IJEE Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3CC#N)cc2Cl)n1 1625733101 FIYUEYGDQSNJQA-MRXNPFEDSA-N 435.915 4.671 30 10 IJEE C=C[C@@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccccc1 1629394158 PKUXZPOPIJFCPZ-ILBGXUMGSA-N 433.573 4.882 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 1631635007 BFXPYBQXEAQZCC-APWZRJJASA-N 442.560 4.726 30 10 IJEE C=CC1(CC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CCCCC1 1631697280 CUXSKJVEVMJNNA-PWRODBHTSA-N 434.621 4.966 30 10 IJEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1633573772 FUGLIGGVCATTGQ-IBGZPJMESA-N 441.553 4.935 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 1638462826 BEHCNXZLBHGZDD-JOCHJYFZSA-N 438.955 4.780 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2cccc3cccc1c23)C1CCN(C(=O)OC(C)(C)C)CC1 1638577417 ZJFPXULACFNPGL-HSZRJFAPSA-N 447.579 4.871 30 10 IJEE C#CC[C@@H](NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)C(=O)OC 1638825836 CXZRTCWHEPDAPT-GOSISDBHSA-N 427.909 4.673 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 1639358783 WAAYDHXOGZDZKQ-HUUCEWRRSA-N 427.463 4.710 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1 1641006604 WPHCOTRMDFBGRK-SJORKVTESA-N 426.916 4.534 30 10 IJEE C=C1CCC(CNC(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 1645011519 OQYQTYISWJKTNY-UHFFFAOYSA-N 427.589 4.731 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc21 1645806619 CDUHTTGRNQSQSS-MRXNPFEDSA-N 429.307 4.521 30 10 IJEE N#Cc1ccc(-c2ccccc2)nc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1 1656284391 HDOQJDQRWXGDMK-UHFFFAOYSA-N 448.979 4.715 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1OC 1657672168 HHXDRHNPUDXRKH-LJQANCHMSA-N 436.980 4.935 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1658625795 GATSHRWFMHFEPK-IBGZPJMESA-N 436.512 4.872 30 10 IJEE CCC[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1Cc1ccccc1 1661200849 HLVFKSUDHDVTMF-FQEVSTJZSA-N 446.473 4.975 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc3c(c2)CCC3)c1 1666095765 XGMREOHJYWISTE-UHFFFAOYSA-N 434.513 4.739 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1667216611 HQYFWKQPGUZXKJ-UHFFFAOYSA-N 438.450 4.792 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 1668396597 ZEJNTBXGJXLHLG-DEOSSOPVSA-N 436.987 4.964 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 1668736156 CMFYHPOFPGRSFX-UHFFFAOYSA-N 431.524 4.751 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 1669276188 JGOAALFUILZLCG-JOCHJYFZSA-N 441.959 4.522 30 10 IJEE Cc1ccc(CNC(=O)Nc2scc(C(C)(C)C)c2C#N)c(OC[C@@H]2CCOC2)c1 1670293988 GEIYMHVMXLURFA-MRXNPFEDSA-N 427.570 4.963 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 1670689731 CDBKKLZUMRHQJO-LJQANCHMSA-N 425.414 4.962 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1673915458 GLFIGJQCEHWVHI-LUGPXAIHSA-N 434.540 4.929 30 10 IJEE C#CCOCCNC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1674293471 YGCOUYPTWICNGO-DEOSSOPVSA-N 437.543 4.916 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(Br)cc1 1677285388 JESMVJXTGABVRL-CVEARBPZSA-N 429.211 4.865 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1682321132 HSPBDSVHWVQAQU-SFHVURJKSA-N 436.339 4.522 30 10 IJEE C=CCCCCCCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1683130670 KXJJGXFANIQRMB-RTBURBONSA-N 431.543 4.878 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 1683288802 DXZUICHKSBIOFF-XUZZJYLKSA-N 427.539 4.931 30 10 IJEE C#C[C@H](NC(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(Br)cc1 1683508268 PACPKQKYIQZCJL-ILWGZMRPSA-N 441.369 4.933 30 10 IJEE C=CC[C@@H](CC)NC(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1686285032 KKGJUGQYBJDUCX-WDGDVPDHSA-N 442.368 4.684 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1scnc1C 1689827499 GEXOUDHZRGVINJ-GDBMZVCRSA-N 429.977 4.537 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCCN1CCC 1690033526 ZSPADCXLKRAMNQ-JWQCQUIFSA-N 431.628 4.547 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN1C1CCCCC1 1690083379 DRCIYGJTPYZPMS-XMMPIXPASA-N 449.643 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CCCC1 1690271561 UPEWUXXTTUITTP-UHFFFAOYSA-N 426.605 4.996 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1690379473 RSYUPURGEKVBMN-UHFFFAOYSA-N 434.487 4.876 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1690417186 IEZOOERHLBLUSX-BDKRGJGYSA-N 430.637 4.804 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1690468056 QIGVXXQFTMQDTF-QHCPKHFHSA-N 428.602 4.555 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccc(C)cc1 1690576382 YWXDLOBGKUJXIJ-IBGZPJMESA-N 448.596 4.709 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccs1 1690623987 BUAUDNADFOLFNK-UYAOXDASSA-N 446.661 4.875 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690736209 WSTWVLLJLMEGPJ-ZWKOTPCHSA-N 440.535 4.507 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1693660539 AAUOSZXIMZLLGD-CUNXSJBXSA-N 448.659 4.704 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](c2cccs2)N(C)C)cc1 1694498965 AXGOPDRXWHYKTO-OAQYLSRUSA-N 434.613 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOCC(C)C 1705479529 MXVINPDWHYKJMV-SFHVURJKSA-N 437.613 4.898 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCSCC(C)C 1705678012 LCZRQYAQKQDDCI-XMMPIXPASA-N 426.630 4.801 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(F)cc1C 1705678579 HQPDTKMTYYBSHP-XLGIIRLISA-N 438.591 4.879 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(Br)c1 1705702132 KRIQZQZWHZEWLH-GHTZIAJQSA-N 447.421 4.857 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1Br 1705705405 HEJBCXUSFSTOCT-WIYYLYMNSA-N 445.405 4.611 30 10 IJEE C=C(C)Cn1c(N(C)Cc2ccccc2Cl)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705729710 RCDYVQVPROOZNM-HDICACEKSA-N 445.995 4.915 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOC[C@@H]1C 1705732105 NKULHPQZONOUTH-KRWDZBQOSA-N 442.560 4.631 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC=C(Br)C1 1705816717 PWMGMXGNMBIPQJ-UHFFFAOYSA-N 426.362 4.892 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1705829829 CWLINVBSURYOBZ-RNHFSVANSA-N 430.637 4.633 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](OCC)C1CCCC1 1705836145 HNMGVMRHPPJYNF-GOSISDBHSA-N 436.398 4.643 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705888847 YEOKHFYOVJHRNK-YXJHDRRASA-N 431.378 4.917 30 10 IJEE CC(C)(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccs2)CC1 1706181417 GGYQTHHJIROHNP-UHFFFAOYSA-N 435.597 4.905 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1cccs1)N(C)C 1706743049 BHAQVHMTYQJULY-KSSFIOAISA-N 446.983 4.840 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCN1CCC[C@@H](C)C1 1722347818 MNDJUNCKKHAYJL-QGZVFWFLSA-N 434.415 4.833 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)cc1 1722406030 SZLLGKHXPYGXHE-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC1 1722467032 KUAGRYVXSWFYEL-AXHZCLLHSA-N 442.991 4.717 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(=C)CC1 1722531428 RQLCTVVTOSSAFV-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCC[C@H]2C)c1 1724248664 AEDJPSSYORYANW-UMEGOILYSA-N 439.604 4.578 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1ccccc1 1740596430 FLVTVKRDHDAYRC-CTNGQTDRSA-N 437.588 4.961 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)C(F)(F)F 1740658282 JIKJNLKFTAERGW-UHFFFAOYSA-N 432.490 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1740846075 LUJIVGUWRMCWHP-UHFFFAOYSA-N 427.984 4.577 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC2(CCN(C)C2=O)CC1)c1ccccc1 1740854315 MZUBXTJPNVLVAT-IFMALSPDSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740858848 BYQGHQMMEPMNJW-HXUWFJFHSA-N 435.572 4.933 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740859230 IIRPKPWNMOKMJT-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1C1CC1 1740891840 KORHSENCYUEAHY-YLJYHZDGSA-N 429.996 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1Cc1ccc(OC)cc1C(F)(F)F 1740933412 RHDXBVQGAYSJJM-UHFFFAOYSA-N 443.473 4.518 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1740949122 IJEVNFKMSOFTME-FQEVSTJZSA-N 437.613 4.605 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC)(CC)C1 1740956022 FEMCUHSXKIVQKH-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE CC(C)(C)[S@](=O)CCn1c(C2CCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1741244001 FMTHOOYAXHGVOQ-WJOKGBTCSA-N 439.629 4.524 30 10 IJEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1ncc(C)s1 1743837378 ABYBXVIJHGWEFI-DLBZAZTESA-N 438.601 4.780 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1748712514 KCUNZTNYPWITNX-UHFFFAOYSA-N 434.491 4.564 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)c(COC)c1 1748775130 DWRTUTUQSRNQTO-INIZCTEOSA-N 438.572 4.535 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1748855769 KJYZNRSNBLNKRQ-WOJBJXKFSA-N 444.501 4.840 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1749132681 CADDHIMAPDBOLX-XZOYJPPVSA-N 435.547 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C)CCCC1 1749154059 JNQVWAIMSKIDSY-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2cc(F)ccc2C1 1749209193 QQGXXOOSDMBXFW-FQEVSTJZSA-N 441.551 4.628 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1749220454 IESLKDPNLVFGJL-LEWJYISDSA-N 445.007 4.975 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2CC[C@@H]21 1749447650 JXZPXFVJWAJWCE-CABCVRRESA-N 437.407 4.741 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(CC)CCOCC1)C1CC1 1749508391 PUGFXMSYGRGINC-GOSISDBHSA-N 428.552 4.919 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760158430 NPBMHQLAZIQWBU-OFNKIYASSA-N 436.600 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C(CC)CC)N(C)C 1760197686 GHDRHSSGFFQHGC-DEOSSOPVSA-N 433.644 4.682 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1cccs1 1760228507 IHEKAPADXHICQC-UHFFFAOYSA-N 429.387 4.780 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1760276378 BOZGTRHXIWNJKG-KRWDZBQOSA-N 427.961 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)C1CC1 1760330323 YTDHGVADEFQESV-AREMUKBSSA-N 433.600 4.916 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1760403433 RUACRDFUDWTBBI-OAQYLSRUSA-N 428.024 4.657 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760432971 XQQKZGFNBBRTEF-KRWDZBQOSA-N 444.486 4.588 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1760452182 HBWPBIUVZFEOCR-QFIPXVFZSA-N 439.629 4.521 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccnc(OC3CCCCC3)c2)C1 1760535673 VIMQQNLDKFGIJG-SIKLNZKXSA-N 439.604 4.728 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2ccco2)C1 1760559856 LNOQEFHHGSJOIG-IRLDBZIGSA-N 438.597 4.910 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1760565220 QZGBMEXLCJBNKV-LEWJYISDSA-N 427.618 4.520 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1760566190 NXMOXFYOPFRMPD-UHFFFAOYSA-N 445.652 4.637 30 10 IJEE CC(C)(C)c1nnc(Cn2c(-c3ccccc3Cl)nnc2N2CCC(C#N)CC2)s1 1760721967 HOLQINJVLCLUBN-UHFFFAOYSA-N 441.992 4.536 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)s1)[C@H]1CC[C@@H](C)C1 1771086379 GUUVGUWGCHLZBF-UTKZUKDTSA-N 435.597 4.876 30 10 IJEE CCOc1ccc(N=Nc2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)c([N+](=O)[O-])c1 1772741295 DVZIEKCHGLJWOO-UHFFFAOYSA-N 447.451 4.699 30 10 IJEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3ccccc3)n2)cc1 1857809030 MOHPFEHCHQMUBN-XYGWBWBKSA-N 427.533 4.868 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)COc1ccc(C)cc1 1861800465 JBGHLWGKMQAMEM-QFIPXVFZSA-N 436.662 4.869 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862432653 JUZAMJXHDPMINN-LJQANCHMSA-N 442.302 4.538 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)cc1 1862442658 UBCRVHJYZJUCJQ-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc2ccccc12 1862609866 WXSGPAGIDHTDQO-HSZRJFAPSA-N 429.472 4.598 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc2c(c1)OCO2 1862628291 XRSVOMZARKZASE-QHCPKHFHSA-N 444.487 4.808 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862666773 LXLVNRZVUDVDOE-QHCPKHFHSA-N 435.520 4.816 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc1OC 1862680017 RXWPZTAQOINGFV-QFIPXVFZSA-N 441.499 4.857 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1C 1862698229 DKGZKTPMYNNQPE-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(O)c1 1862747964 WYHWUGOALUGVCM-IVZQSRNASA-N 444.443 4.640 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 1862750804 FHJRGLNROLSQLF-JOCHJYFZSA-N 445.475 4.987 30 10 IJEE CC(C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866772088 LGSGXKXRNMIWOO-HSZRJFAPSA-N 429.495 4.753 30 10 IJEE CCCCCCCOc1cn(Cc2ccccn2)c(CSc2nccn2C)cc1=O 1870260059 XADRICWANKBHED-UHFFFAOYSA-N 426.586 4.667 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870512007 NQLXDDPTLXMOJY-FGZHOGPDSA-N 447.664 4.590 30 10 IJEE C=CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870812144 PJLWXGINYMGYHJ-UHFFFAOYSA-N 440.547 4.966 30 10 IJEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc(CC)cc2)cc1=O 1870813091 WBDXBOXDQGIFFQ-XMMPIXPASA-N 438.955 4.975 30 10 IJEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2cc(OC)c(Cl)cc2OC)[nH]1 1871295701 WPUWYZUVZRRRMS-UHFFFAOYSA-N 446.983 4.972 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)cc1 1871366262 ARAISSVWLIDXCH-IWIPYMOSSA-N 442.467 4.936 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871369652 BPEALFCIHODLQO-IWIPYMOSSA-N 443.499 4.970 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871370582 SOLXWHJXHCKFJK-XKZIYDEJSA-N 434.419 4.743 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)c(OC)c1 1871371779 INFKNAZFFWTFSW-QRVIBDJDSA-N 448.446 4.916 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871396148 RNMQAQKHVUMTRN-PKIWBCANSA-N 427.928 4.707 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872441697 SATMUZCUBKNWKQ-HXOBKFHXSA-N 428.598 4.842 30 10 IJEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2cc(F)c(F)cc2F)C1=O 1873063680 KBBXUFWJLVMAMB-UHFFFAOYSA-N 448.444 4.749 30 10 IJEE CC(C)c1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCCCO)cc1 1874262034 DYGYTKFSKAAAFH-DHRITJCHSA-N 446.523 4.615 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874292166 PNGPYOJCCURVTL-MFKUBSTISA-N 446.532 4.746 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)cc1 1874305737 MUIMJEKHSHHGMK-JVWAILMASA-N 447.539 4.781 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccncc2)cc1 1874348917 KIQOGPWESAUISL-WGOQTCKBSA-N 429.549 4.755 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(F)cc1 1874478394 YFLZLFAIJCJTSA-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)c1OC 1874494286 JMVTWLVMRWEJMY-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)cc1 1875112594 LGDPEBNZXWFTPL-GIDUJCDVSA-N 446.459 4.785 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875115977 DODXGAVDLCFQFV-LNKIKWGQSA-N 446.459 4.785 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875147467 ZVSAPDXRAGKYAO-XYOKQWHBSA-N 446.455 4.590 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1F 1877009050 LCOVFQMNXVYMTO-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1879744659 YUJFDUZWMWUICE-GYCJOSAFSA-N 442.365 4.732 30 10 IJEE CCCCCCCCCC[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882591189 HINLHWLLGCTAET-OLILMLBXSA-N 425.591 4.646 30 10 IJEE C#C[C@H]1N(C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1(C)C 1899919248 YKXPROKSQMROKR-LOSJGSFVSA-N 444.575 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(I)sn1 1909820480 JPGSKVHHZSLOTN-QGZVFWFLSA-N 428.339 4.561 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2O1 1922086280 OVUABJVPSRLOEY-DNQXCXABSA-N 438.568 4.940 30 10 IJEE C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)N(C(=O)OC(C)(C)C)C1 1963648993 RODUSBREFIRKKG-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)[C@](C)(C2CC2)C1 1964262703 IORZCUKZBIJINM-NRFANRHFSA-N 434.378 4.542 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NC 2041199470 XVMGPBDXBSCNEH-SJORKVTESA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(C)(C)C)CN(CCCB2OC(C)(C)C(C)(C)O2)C1 2046173014 WKJPPNVSNOVAHT-RBUKOAKNSA-N 438.462 4.978 30 10 IJEE C=C(I)COc1c(Br)cc(Cl)cc1CNCCC 2077483979 UQFNFQRVCWYRSY-UHFFFAOYSA-N 444.538 4.930 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079874493 FYEDJSDSONLYIO-INIZCTEOSA-N 437.325 4.911 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 2139853838 VXMXTROIBZEKIT-ZDUSSCGKSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(c3cc(Br)cc(F)c3C#N)C2)C1 2174807452 BTAGEEGEITZPKW-HXUWFJFHSA-N 438.341 4.687 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCN(c3ccc(C#N)c(Br)c3F)CC[C@H]2C1 2174809804 DUUZFZCFRKNKQS-GASCZTMLSA-N 438.341 4.543 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(Br)ccc1C#N 2181045376 MIQMTZOFPSOGHX-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Oc1cc(Br)cnc1C#N 2198818923 BGGZSGDIULYCJS-DYVFJYSZSA-N 436.350 4.568 30 10 IJEE C=CCN(C[C@@H](NCCC)c1ccc(Br)cc1OC)C(=O)OC(C)(C)C 2231163160 RPAWLBNPNONJFH-QGZVFWFLSA-N 427.383 4.922 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2ccccc2Br)CCC12CCC2 2235739048 FJOORESSGXGABL-MJGOQNOKSA-N 434.374 4.731 30 10 IJEE COc1cccc(C#C[C@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1 2237751103 MVHRGQGVONVYQD-SFHVURJKSA-N 431.330 4.856 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCN(Cc4ccccc4)[C@@](C)(C4CC4)C3)CCC2)OC1(C)C 2267000069 SFPGPTSUGKVTHV-RUZDIDTESA-N 438.421 4.516 30 10 IJEE CCc1ccc([C@@H]2C(=C(O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 2296135790 AVQZMMAASMFSJC-XMMPIXPASA-N 442.515 4.583 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@H](O)C#Cc2cccc(Br)c2)C1 2296223650 BYWHDNRXOAHUGU-RTBURBONSA-N 434.374 4.589 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2296281235 JIZRCDHXNISHBG-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)C(F)F 2296296478 OFIHTZMTWJCGAI-DOTOQJQBSA-N 445.348 4.575 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2296303467 WOVCIOBEOXTPLZ-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296310592 LJXOLONCJDYFCD-IJXRJRJASA-N 433.390 4.567 30 10 IJEE COc1cc(OC)c(N2COc3ccc4c(c3C2)OC(=Cc2ccco2)C4=O)cc1Cl 2296595826 COLJLTLTHMBGGH-UHFFFAOYSA-N 439.851 4.923 30 10 IJEE CCC[C@@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317312799 MYYAWQIYILSAEA-SFHVURJKSA-N 431.386 4.832 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)c1 2321936919 IBUMZYDCXZDQCJ-UHFFFAOYSA-N 431.463 4.845 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2OC)C4=O)cc1 2321937377 NCKFTDYNQIOUNZ-UHFFFAOYSA-N 443.499 4.715 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322145614 DAMZLLYNJZHLRJ-UHFFFAOYSA-N 444.325 4.644 30 10 IJEE CC(C)(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3cnc[nH]3)CO4)C2=O)cc1 2322199182 LHSPICPUPZRLJE-UHFFFAOYSA-N 429.520 4.718 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1OC 2322209584 DDOVNVCFDVJLQN-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2322801046 GPZIDFAXQRPRHG-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)c(Br)c1OCCCO 2323259859 QCDWCNWDLSESTM-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323370735 KJKBNJOUSREMFC-UHFFFAOYSA-N 445.427 4.758 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323379345 LZRPILRZTCZMEZ-UHFFFAOYSA-N 434.444 4.678 30 10 IJEE CCCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SC)cc1OCC 2323584962 RLFMYOKPJAVLAO-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)cc2Cl)C3=O)C[C@@H](C)O1 2324017419 OARVIZJMKPNOIM-BETUJISGSA-N 434.319 4.924 30 10 IJEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc2c(c1)OCCO2 2324035234 MWRUOGAVVHSQHD-UHFFFAOYSA-N 440.455 4.582 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324451261 SFUVZDPLBMWARF-OAHLLOKOSA-N 433.435 4.857 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325628015 VUZIJEVJVZQYCC-CQSZACIVSA-N 448.406 4.756 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccc(C)cc1 2325744733 VCVUGIWQTUIPCR-UHFFFAOYSA-N 430.456 4.890 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2327540930 MUOROLSJEDWCNH-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE Cc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCC(=O)OCC(C)C 2330284491 DTCJKWBNEVDGGW-UHFFFAOYSA-N 428.602 4.883 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2)c1 2330678324 JELPNTSLBBHSLB-UHFFFAOYSA-N 433.581 4.677 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 2330989894 SBKUUARMXGIDQE-LJQANCHMSA-N 428.945 4.966 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2sccc2C)o1 2331450744 UOABANOLXLAKLJ-UHFFFAOYSA-N 432.571 4.791 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)c1 2331523270 MAQGEHFGGWBVQJ-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)CCOC 2331692699 FJMFODJIYIYAPZ-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339574366 HGGQZVLYTLDXHE-MOPGFXCFSA-N 443.397 4.832 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574893 OQYCTPPLGSQZAO-PKOBYXMFSA-N 444.381 4.608 30 10 IJEE CC1(C)OB(c2ccc(COc3cc(F)ccc3Br)c(F)c2)OC1(C)C 2369069997 NYMOUZWUHDKITO-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE COc1ccc(/N=C2/S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)cc1 2728519 OPMKDIBVMNIBNB-CULCSUMMSA-N 438.336 4.592 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1OC 21246108 DLFTUKBCEVQQDB-LSDHHAIUSA-N 443.902 4.891 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCOC)cc1 35443326 CXDSZBVBXJKFFR-XPXBXICFSA-N 449.547 4.880 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2CCCOC(C)C)cc1 54143209 XTDGGGMMUVZPDN-QHCPKHFHSA-N 430.589 4.659 30 10 IJEE CCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 100153274 FVDWPLKDYYPVHB-UHFFFAOYSA-N 432.586 4.975 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 102540340 YYBVXZPROMUFEI-CSPRILESSA-N 449.547 4.593 30 10 IJEE CCOc1cc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)ccc1OCc1cccc(Cl)c1 169896427 SOLXZESKWYMFQK-MXAYSNPKSA-N 440.931 4.970 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926560 YNRMDCKCKJTHHO-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)cc1 169988336 SMZUYRNMRCGWQX-IBGZPJMESA-N 427.428 4.818 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC(C)C)c1 170148335 UVDQTIBNDQJTLH-UUOWRZLLSA-N 449.547 4.712 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)c1 170173044 KCCJYDDEWHQVSY-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCCCOC(=O)c1cccc(N2CC(=O)C(c3nc(-c4cccs4)cs3)=C2N)c1 170181080 XAAHCUCTLFEYEX-UHFFFAOYSA-N 439.562 4.545 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc(OCC)c1 170217821 LBCYWAXCGBVHEM-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)c1 170227905 SHMNDBWFWQWJGA-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccc(CC)cc1 170267893 NXWMGXUNBMOXFR-OAQYLSRUSA-N 443.927 4.908 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)cc1C(C)C 170292857 LRRYUKRWNKAMTM-HSZRJFAPSA-N 446.503 4.894 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)cc1C(C)C 170292902 VSDOTYJHSTTZFG-QFIPXVFZSA-N 432.476 4.585 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 170412619 LKONCNPYVINBIJ-JOCHJYFZSA-N 448.544 4.601 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCOc2c(Br)cccc21 409859010 LRSMTYNHQKIUQJ-KSSFIOAISA-N 435.387 4.527 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 438073287 LAJATWGHTGPBAD-AUSIDOKSSA-N 428.552 4.551 30 10 IJEE N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 441667789 IGTRMHLWROWVMM-UHFFFAOYSA-N 425.366 4.947 30 10 IJEE CCOc1cccc2cc([C@@H](C)NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)oc12 446568158 BEOHJDQQQOTAAT-PBPGXSGUSA-N 448.523 4.849 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 504094359 NFTPZWSSKPQOPO-HSZRJFAPSA-N 447.963 4.603 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 508864478 OTAJCPKGXBXXID-OAQYLSRUSA-N 434.588 4.687 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccc(OC(F)F)cc1 508959615 GPFGVEWNWIPVPG-SFTDATJTSA-N 440.494 4.947 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 518558913 HRPWZKIEPZEDST-QFIPXVFZSA-N 439.943 4.880 30 10 IJEE C=CC[C@@H](C)NC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 522641984 NKIZBITYKGDOQH-CQSZACIVSA-N 427.595 4.897 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](OC(F)F)C1 566888965 ZDWJAGKUPRKVSL-ZDUSSCGKSA-N 433.286 4.558 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(Cl)cn1 586259211 ZPMKLDKCLYUOQD-UHFFFAOYSA-N 448.331 4.664 30 10 IJEE CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc1OC 731564422 DYCMYNDIRXSKGA-GQCTYLIASA-N 446.219 4.872 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1ccc(Br)cc1C 762997255 WUOWJAIQMYSVRR-LJQANCHMSA-N 427.342 4.772 30 10 IJEE COC(=O)c1ccc2[nH]cc(C(=O)CSCc3cc(Cl)ccc3OCC#N)c2c1 780338396 JOQUDCVVANMNLQ-UHFFFAOYSA-N 428.897 4.626 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C(=O)NCCC)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 790485834 CFJSIIHNUJXBHL-HSZRJFAPSA-N 449.979 4.764 30 10 IJEE CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)NCC3CCC(C#N)CC3)ccc21 799387821 PDUMNZFQSIVOJR-UHFFFAOYSA-N 438.572 4.616 30 10 IJEE C/N=C1\S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C(=O)N1C 1084288763 VMBQRJGRCBVVHK-ZQTGGVOXSA-N 432.332 4.976 30 10 IJEE COc1ccc(C(=O)CSc2n[nH]c(NN=C(C)c3ccc4ccccc4c3)n2)cc1 1084465935 KUXIRSPKAWZQHL-UHFFFAOYSA-N 431.521 4.778 30 10 IJEE CN(C)C(=O)CCSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084472087 DDSMJPOAZVRMON-UHFFFAOYSA-N 442.548 4.719 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1126224934 GAROCASZLNWZLS-XMMPIXPASA-N 445.560 4.606 30 10 IJEE Cc1ccc(C)c(N2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)c1 1127322314 HCTZNDJWTBGBRC-UHFFFAOYSA-N 425.532 4.717 30 10 IJEE C=CCN(C(=O)c1cc2c(C(C)C)nn(C)c2s1)[C@H](Cc1ccccc1)C(=O)OCC 1128003173 JDXWFXKLCDKVMK-LJQANCHMSA-N 439.581 4.561 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)C(F)(F)c2ncccc2Br)C(F)(F)F)cc1 1128867406 VKTOZYLHKPHFIO-CQSZACIVSA-N 434.158 4.764 30 10 IJEE C=CCc1cc(C(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)cc(OC)c1OC 1134770319 ZNEFDTJRMSHIDJ-UHFFFAOYSA-N 427.928 4.821 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 1154708682 UEKBMWPVHBMEKJ-XMMPIXPASA-N 435.470 4.574 30 10 IJEE C=CCn1c(SCc2nc(C)c(Br)s2)nnc1-c1ccccc1OC 1164530274 IBOZLEIUGDCZPW-UHFFFAOYSA-N 437.388 4.959 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(C#N)C1 1167597429 IXJPUIMDBYUYDG-IGKIAQTJSA-N 445.563 4.702 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 1181305288 OILDKAFCJQQSKU-VQTJNVASSA-N 427.589 4.948 30 10 IJEE C=CC(C)(C)CNC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1200557364 CUDBLHJZYFMSOU-UHFFFAOYSA-N 430.346 4.713 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccc(F)c2ccccc12 1212040124 GEDWEYZIJBHLGB-GFCCVEGCSA-N 433.302 4.653 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 1214728954 AOBACEDTDMWGFB-KRWDZBQOSA-N 430.483 4.852 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(I)c2)C1 1219905620 SIDBDJUGMDAXJN-OAHLLOKOSA-N 446.288 4.961 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(Oc2cccc(Br)c2)ccn1 1265223756 DJJUMHNLLIXOQE-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE C#CCN(CC#CC)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 1265493354 XUVYJCKUHVCHKF-LSDHQDQOSA-N 433.555 4.886 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)C1CC1 1286424312 BAZZZIRBIOJODO-QFIPXVFZSA-N 429.955 4.650 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCSC1 1286439288 UFDXCIYNPSWEBI-INIZCTEOSA-N 433.419 4.619 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1286536688 RLEKEDRAVXYNBN-ZDUSSCGKSA-N 434.338 4.777 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1CC 1286605331 WADVRIYZIZDFML-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1286606816 BUEJEWLUVQCJCB-UHFFFAOYSA-N 429.515 4.511 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](COCC)C1 1286621157 BRNDMFYPTZTGTM-OAHLLOKOSA-N 425.360 4.613 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ncccc2N(C)C)CC1 1286654077 ADFUONVRUMYLPB-JOCHJYFZSA-N 430.600 4.732 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H](C)C2)CC1 1286654884 LKTIREPJZSHVHM-OAQYLSRUSA-N 432.616 4.731 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286690079 KSWKWDWDLMVNMH-XWTMOSNGSA-N 444.542 4.709 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](COC)C1 1286696747 PRKNJVWTHCPWLY-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1N(C)CCCC1(C)C 1286763326 HUYUEZRIXYGAPZ-QFIPXVFZSA-N 437.588 4.795 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCCC2)s1 1289636767 DNEKXBSADDJDCE-UHFFFAOYSA-N 435.597 4.908 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CCCC2)C[C@@H](C)O1 1293636564 DHQSERUJQSAWGO-TZIWHRDSSA-N 437.588 4.703 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 1294180967 SJLZNQPYHQTZAC-UHFFFAOYSA-N 432.167 4.751 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1300769450 GZJHLFWGDAZFHR-VWLOTQADSA-N 436.625 4.859 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@@H](C)C1 1300797965 IUJMBWCRQJLXLY-PNLZDCPESA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC 1300829382 BBVGKGBPWNRXSZ-UHFFFAOYSA-N 432.135 4.602 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1300877545 YMERTDBWYRZKCU-AAIMPIBUSA-N 440.588 4.741 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1cnc(C)s1 1300877914 YFGSHPLXCPCNOW-IFMALSPDSA-N 437.613 4.890 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCc1ccc(F)cc1)C1CC1 1300931279 YPVBHXORMYBWMC-UHFFFAOYSA-N 444.352 4.962 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1301065375 DSAYENGJPJVVAX-FHWLQOOXSA-N 430.980 4.901 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCC2=O)CC1 1301176283 VRVUOYGKNYATFV-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301208541 YMSUFOJDTLXTBN-UYAOXDASSA-N 445.405 4.988 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1301299345 JNDSZVUCXGLPJQ-NRFANRHFSA-N 439.991 4.965 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1OCC[C@H]1C 1301359785 PAMFWIAPOTZVIM-CRAIPNDOSA-N 429.977 4.673 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(Cc1cccs1)C(C)C 1301490718 YEQHZHPYWYHLET-UHFFFAOYSA-N 447.967 4.516 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1301531657 SLPYHGSJBNNMQA-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1301620438 FWMREUJZZXWFRE-OALUTQOASA-N 432.659 4.723 30 10 IJEE C#CCN(Cc1ccc(COCCOC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1308635108 UVFDLSRPMZSQTN-JOCHJYFZSA-N 444.369 4.571 30 10 IJEE C=CC[C@H](NC(=O)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1)c1ccncc1 1312018506 CFXLNFNDIGFOAS-SFTDATJTSA-N 442.604 4.815 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1312735632 AOJGZDZILUNOBU-LJQANCHMSA-N 433.335 4.758 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1 1352514400 UIWABXVZIHPQQL-IAGOWNOFSA-N 446.469 4.973 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)CCCN1C(=O)OC(C)(C)C 1352948524 SXYNCOIRVKHYAW-BXKMTCNYSA-N 439.581 4.780 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc(C)cc(Br)c2o1 1358210766 AFMZRCBOGNTSMA-UHFFFAOYSA-N 427.298 4.664 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccco1 1359050903 GUPPSJQWIXHCJL-MRXNPFEDSA-N 426.611 4.727 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC[C@H](OC)C(F)(F)F 1359109852 RKSKPVACPYQMCU-IBGZPJMESA-N 433.478 4.863 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1359175925 FZNJXRWXSDOXPO-ROUUACIJSA-N 440.588 4.568 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1359195414 LZPHLAPAMXVUIC-JOCHJYFZSA-N 432.597 4.660 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC(C)C)CC1 1359239933 APQPPULDFLEGOF-UHFFFAOYSA-N 431.625 4.841 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCSCC2)cc1 1359273468 BQKIGRSNHHXPBJ-UHFFFAOYSA-N 437.657 4.791 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CCSC(F)(F)F 1359274862 CQHLHCCUHTZBQD-UHFFFAOYSA-N 433.503 4.828 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1359284634 CACCBOSFGKHFTJ-HXUWFJFHSA-N 435.572 4.790 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](C)COC)C1 1359314374 ZPNUZYJAFCKGMI-CVEARBPZSA-N 447.004 4.877 30 10 IJEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)CCS1 1360829534 FMKCESVLIHXAMF-IBGZPJMESA-N 439.629 4.887 30 10 IJEE CC1CCC(N2C[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2=O)CC1 1361124544 FJWKOJQFAFNQMF-DHHCDUQHSA-N 449.526 4.642 30 10 IJEE C[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)c1ccc(C(F)(F)F)cc1 1435918438 IDIZGIRCIIIJQO-LBPRGKRZSA-N 441.247 4.638 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2[C@H]3c4cccc(Br)c4C[C@H]32)cc1 1435978368 ZWOPJESHCIRZSU-BVYCBKJFSA-N 440.337 4.983 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)cc1C 1437494895 FRISVIUCPYAKMQ-FQEVSTJZSA-N 448.489 4.701 30 10 IJEE Cc1cc2c(NC(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)n[nH]c2cc1C#N 1452824036 HLLPURCITXTNDQ-UHFFFAOYSA-N 427.439 4.695 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 1456313059 AIUWSKZDMFJSCV-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE C#CCSc1ccc(COC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)cc1 1459026048 WPMHZWWFDAUKPG-UHFFFAOYSA-N 435.402 4.508 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1)C1CCOCC1 1467394429 FRUILCSBRXULBR-HXUWFJFHSA-N 449.389 4.958 30 10 IJEE C#C[C@@H](NC(=O)C1=Cc2ccccc2O[C@@H]1C(F)(F)F)c1ccc(Br)cc1 1468452206 XFVAHPKEHODEGY-AEFFLSMTSA-N 436.227 4.647 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)C1 1468743299 GHOYJAWBICBZSD-IFMALSPDSA-N 448.369 4.813 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCCC[C@H]1Cc1ccccc1Br 1468848450 QHJDJRXVCUPUPC-FQEVSTJZSA-N 441.369 4.768 30 10 IJEE C=CCn1c(SCCCOc2ccc3c(c2)OCO3)nc2cc(Cl)ccc2c1=O 1472911314 GMZVTJSWRSFWBL-UHFFFAOYSA-N 430.913 4.526 30 10 IJEE C[C@@H](Cc1c(Cl)cccc1Cl)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1475154715 CHBXQWCHTUGTIR-JTQLQIEISA-N 437.270 4.793 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c(C(F)(F)F)c1 1475400745 BVNUTHLRJCHKPX-GOEBONIOSA-N 428.863 4.845 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC(C)(C)C1 1494476821 DSHLCGKHEXQGEQ-INIZCTEOSA-N 429.515 4.646 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507529810 RFRGYXXWIJCKIB-VQIMIIECSA-N 445.995 4.606 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1507754377 CXWKTIKVJZYROW-OAQYLSRUSA-N 438.622 4.647 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C2CCCCC2)N(C)C)CC1 1507901544 LYBOQWOXZKEBGH-XMMPIXPASA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507918475 HAJMLILIZWFRPE-RUZDIDTESA-N 426.580 4.850 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1cccc(F)c1 1507929845 VIIYAFXBRSIQAW-FQEVSTJZSA-N 434.519 4.762 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC=C(Br)C1 1507939608 ROFMBVAKMBGIDZ-UHFFFAOYSA-N 445.405 4.917 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccncc1Cl 1507974560 YGFFQGBXXQZCMW-UHFFFAOYSA-N 436.716 4.566 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)noc1C)C1CC1 1507988509 TYVYVRZVACHAQH-MRXNPFEDSA-N 427.936 4.879 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCc1cccnc1 1507998250 DHJXCMYYSQJFKD-UHFFFAOYSA-N 426.568 4.713 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CCCC1 1507998676 DBGXLZDYDOPFNG-AREMUKBSSA-N 449.599 4.575 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCC(C)CC2)nc1 1508013408 OGTZUZBNNQHLCA-UHFFFAOYSA-N 446.574 4.942 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1scnc1C 1508102794 ARUBDYKHJCDLEA-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)CCC(F)(F)F 1508107508 CXJFCCVYVAJIEU-UHFFFAOYSA-N 436.503 4.932 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1508150731 PJXYREKXJRMGAJ-LJQANCHMSA-N 441.988 4.570 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)nn1 1519422813 ZDLNSFRJPNZDIF-UHFFFAOYSA-N 431.265 4.800 30 10 IJEE Cc1c(C#N)c(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)n(-c2ccccc2)c1C 1526620769 DIRLBNZISADEDF-UHFFFAOYSA-N 434.862 4.591 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1526843801 SXAZLWNJLJKKKL-YLJYHZDGSA-N 434.305 4.512 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC=C(C)C)c1 1528816148 OLJYXRRRDCJIOE-UHFFFAOYSA-N 432.973 4.807 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 1529849285 IIRHFTVOQUJLLX-BSKAQADGSA-N 443.503 4.951 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccccc1 1530132866 GEWUSRZSYKNONX-OAQYLSRUSA-N 433.305 4.806 30 10 IJEE C=CC[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1ccc(Cl)c(Cl)c1 1530229824 PZMFVBLEEWTZBI-MRXNPFEDSA-N 432.325 4.619 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CCCC1(C)C 1530840088 QIASXBKBKUPTQM-IBGZPJMESA-N 432.476 4.577 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)nnc1-c1ccc(Cl)cc1 1531453553 KPRDBYBMRLURPB-RTBURBONSA-N 431.005 4.962 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](CC(=O)OC)c3ccccc32)s1 1533047219 BDUDHURKRJWLPP-AWEZNQCLSA-N 436.986 4.532 30 10 IJEE CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1537703232 BHNHGGSZAZDROY-QAPCUYQASA-N 441.984 4.942 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@](C)(CC)C1 1539052839 JHMDNJAZLKFLNH-MBSDFSHPSA-N 430.980 4.880 30 10 IJEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(OCCC(C)C)CC1 1539132365 JQXTWYMNMIGSAK-UHFFFAOYSA-N 433.600 4.726 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)OCCc2sccc21 1539159062 PUMXBFGMTTUMSR-VWLOTQADSA-N 434.609 4.862 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1 1539624704 UYWNBLGBARUJCF-WIYYLYMNSA-N 444.023 4.500 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540005672 LSPWVXIXNKJZCW-INIZCTEOSA-N 441.929 4.561 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540014057 HCTHMARINMKVHM-HXUWFJFHSA-N 440.979 4.823 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1Br)C1CC1 1540101243 AFWLODMREZAPPV-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540134001 MXEJLQFFFMPVMA-ACDBMABISA-N 437.563 4.819 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Nc4ccccc4)cc3)CC2=O)cc1Cl 1540181123 HWGLOWQGEAHFPD-KRWDZBQOSA-N 430.895 4.947 30 10 IJEE C=CCSCCn1c(N2CCC(C(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1540922273 JKYQNFYEJKSAOT-UHFFFAOYSA-N 430.593 4.733 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)cc1C(F)(F)F 1542647727 HCJXVWHCKQCSDG-KRWDZBQOSA-N 430.467 4.580 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(C)C)c1 1544584086 VAGNABJFBKLTIM-JOCHJYFZSA-N 447.000 4.982 30 10 IJEE C=CCN(C(=O)c1cc(Oc2ccccc2)ccc1O)[C@@H](Cc1ccccc1)C(=O)OCC 1556205193 SVLVIRHWZUNHND-DEOSSOPVSA-N 445.515 4.987 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 1556781676 LLVQXTOEHMTNOR-SJORKVTESA-N 427.125 4.670 30 10 IJEE C#CCN(C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)[C@H]1CCCc2ccccc21 1558543812 YDFUUXVUTWDSRV-QHCPKHFHSA-N 444.604 4.824 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(CCC(=O)Nc2cccc3ccccc23)CC1 1559802653 HNVBRWISVNDESJ-XMMPIXPASA-N 432.955 4.704 30 10 IJEE N#Cc1ccc(CS(=O)(=O)N(Cc2ccccc2Br)C2CCCC2)cc1 1561370132 CBHFAXLCYGZHQW-UHFFFAOYSA-N 433.371 4.595 30 10 IJEE N#CC1(CS(=O)(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)CCCCC1 1561568270 BGDXJCYQRKONEV-HXUWFJFHSA-N 439.606 4.974 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 1569961497 UUBLJMVXMJZXEP-UHFFFAOYSA-N 441.453 4.771 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)c1ccc(Br)cc1 1584708107 KTHBZBRLRKLAFE-QGZVFWFLSA-N 446.707 4.840 30 10 IJEE C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1584712341 BDNVLZYERCPYSH-ZDUSSCGKSA-N 432.377 4.599 30 10 IJEE COc1ncc(NC(=O)c2ccc(COc3ccccc3Br)cc2)cc1C#N 1584825992 GZQIHRFUQYZRHO-UHFFFAOYSA-N 438.281 4.556 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)C1 1585882144 ROOKUOWIDPUGRL-GNMGOMLTSA-N 444.575 4.750 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)C(F)(F)F)cc1 1587315027 BNDLPBWUFVONTA-KRWDZBQOSA-N 439.315 4.728 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCCCC[C@@H]3CC(=O)c3ccccc3)C2)c(F)c1 1587483732 HJMHIPYMJUFEAP-FCHUYYIVSA-N 433.527 4.568 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1c[nH]c2c(CC)cccc12 1587594692 XPADPVUPUKGQPS-INIZCTEOSA-N 432.959 4.738 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1csc(CC)n1 1587678538 UHCSRBOMSIFTMU-OAHLLOKOSA-N 446.045 4.943 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CCC(C)C)C1CC1 1587712177 OIFDFJMNGKTOKE-UHFFFAOYSA-N 432.410 4.865 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1cccs1 1588280004 DHZIIJNDGYRKFD-QHCPKHFHSA-N 440.638 4.704 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(F)cc1Cl 1588458929 JVFSUJCOJHDLMU-UYAOXDASSA-N 432.971 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCN(CCC)CC1 1589676003 KUQUKCAPOFXDHR-UHFFFAOYSA-N 434.632 4.875 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1589701291 XFGYOYKAJGROGL-LJQANCHMSA-N 427.980 4.597 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2csc(CC)n2)CC1 1594102736 ZBIHZMWUPZZWLQ-UHFFFAOYSA-N 429.540 4.565 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)c2c(C)noc2C)CC1 1594127848 HKKYSGYWUDYJJP-SFHVURJKSA-N 435.572 4.984 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1594409288 VJSRNLAHJMDNMT-DHLKQENFSA-N 438.616 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Br)cs1 1594484512 USMXEUUCBMYGPF-UHFFFAOYSA-N 449.422 4.741 30 10 IJEE C=CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1594572873 LRDFTQNGXXCMLI-XLIONFOSSA-N 437.613 4.940 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1594591281 QINYPJPILDMVJB-UHFFFAOYSA-N 438.963 4.733 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@H](F)C1 1595120465 ULHWHAIMSSFRRQ-PMACEKPBSA-N 425.577 4.965 30 10 IJEE Cc1cc(Cl)ccc1O[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 1595819346 BCPYOQWCIZLGEH-URXFXBBRSA-N 447.922 4.715 30 10 IJEE CC(C)C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)N(C)C(=O)OC(C)(C)C 1597507554 DTXLUKWFYHNJNT-SFHVURJKSA-N 445.951 4.617 30 10 IJEE CCC[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CCN1Cc1ccccc1 1597571573 GZLPSECHODRWTI-FQEVSTJZSA-N 434.609 4.679 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cc3ccc(Br)cc3s2)c(C#N)cn1CC 1597855084 BMTQFFXEVZSSIO-UHFFFAOYSA-N 446.326 4.786 30 10 IJEE C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(N2CCNC2=O)cc1 1610899061 AWBPRHXRICAXRZ-GOSISDBHSA-N 440.503 4.566 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1616516820 OXYSKJKNJXFFJB-PKOBYXMFSA-N 433.390 4.567 30 10 IJEE Cc1cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cc(NC(=O)OC(C)(C)C)c1 1620935708 BMOXMNPQXMKMHO-UHFFFAOYSA-N 434.584 4.968 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1624981842 CKEQMCGBZFPDEY-NTKDMRAZSA-N 444.579 4.767 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 1628946732 KZZWHJVFIMZJEI-QGZVFWFLSA-N 428.985 4.534 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1)c1ccccc1 1631091153 VZOKILJXGONFAE-SFHVURJKSA-N 426.460 4.694 30 10 IJEE C=C[C@H](C(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccccc1 1636942198 XMSUOFSBPYQXCR-ZIHSNCGMSA-N 448.563 4.976 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)C2CCOCC2)nc2scc(-c3cccs3)c2c1=O 1640613776 HEGSTZXVLKDWGF-ZDUSSCGKSA-N 446.619 4.849 30 10 IJEE COc1cccc([C@@H]2CN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CCN2)c1 1642103685 GXJOGBCMPIZUBO-QFIPXVFZSA-N 447.922 4.799 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 1645614018 GRUZCNGSHIAMJO-HSZRJFAPSA-N 430.470 4.773 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1)C(=O)OC 1651596957 UPVADJGIWIVZNC-SFHVURJKSA-N 429.929 4.806 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1653734751 SKPHIKZXGWZSEU-QZTJIDSGSA-N 429.655 4.866 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1OC 1656037102 LYDRRCHTMJBSNY-KDURUIRLSA-N 445.003 4.812 30 10 IJEE COc1ccc2oc([C@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c(C)c2c1 1660095326 ACWHDNHPJKPEFY-LBPRGKRZSA-N 438.427 4.680 30 10 IJEE C=CCn1ncc2ccc(N[C@H]3CCOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc21 1660107254 KLTRJWGAONCTIQ-FQEVSTJZSA-N 426.561 4.583 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 1661160515 GGOBKNHGZIVRME-SFHVURJKSA-N 444.862 4.669 30 10 IJEE C#CCOc1ccc(CNC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1663459228 MDUBBXFHTMQGMZ-JOCHJYFZSA-N 427.470 4.937 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 1666049070 CRMWYGOPUNWCNT-UHFFFAOYSA-N 436.552 4.676 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1F 1669153299 STEUFYMKZMIAKM-AWEZNQCLSA-N 426.218 4.804 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1683106904 OVUNXFBOYYOFGW-YADHBBJMSA-N 449.599 4.615 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCC(C)(C)Sc1ccc(Br)cc1 1684570044 DKNGHBANJWVAMQ-UHFFFAOYSA-N 447.398 4.831 30 10 IJEE C#CCN(C(=O)NCc1cccc(Oc2cccc3ccccc23)c1)C1CCN(C)CC1 1686423726 DSABLHHXKVRCHJ-UHFFFAOYSA-N 427.548 4.871 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN(C(C)C)C1 1689828151 LIOMONAEBRAEKW-XUVXKRRUSA-N 444.023 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCS1 1689838146 UBISHBYKYVLZSK-JSGCOSHPSA-N 439.810 4.715 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(C)(F)F 1690097412 HIALKBYQHCYMLL-UHFFFAOYSA-N 448.514 4.944 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690248527 OJYFFORBBFLAQK-QRICJDHISA-N 444.570 4.886 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1690354677 XKKUPBNYCNYCFV-SUMWQHHRSA-N 427.401 4.838 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1690412248 JTMZTOQBKLBION-FNZWTVRRSA-N 439.623 4.921 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1690412626 YRMKGXHPBHLCPF-QUCCMNQESA-N 431.625 4.525 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1690456128 WUBDXRKQHPFDAM-UHFFFAOYSA-N 439.585 4.663 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC2(CCCC2)C1 1690643772 VBIPALIIBYUONF-UHFFFAOYSA-N 429.609 4.739 30 10 IJEE C=CCOc1ccccc1Cn1c(N(CCOC)[C@@H]2CC[C@H](C)C2)nnc1C(C)(C)C 1690684271 CECIOPSZHVYFSC-PZJWPPBQSA-N 426.605 4.830 30 10 IJEE CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)Oc1cccc(F)c1 1694394887 GAFMEPWWASTSHF-NTKDMRAZSA-N 427.568 4.993 30 10 IJEE CCOc1cc(C)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1696104798 ASLHQAWGCKOTMU-CZTZKLFOSA-N 439.604 4.548 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccccc1)CC1CCOCC1 1705514886 LZIVOKUUVFHWIV-UHFFFAOYSA-N 443.595 4.885 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(C)o1 1705687721 IFOJZRJHKLGXRR-UHFFFAOYSA-N 437.288 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1705713247 YLKIEIXAOXIOGN-GOSISDBHSA-N 443.592 4.517 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCN(C)C(C)C)CC1 1705763587 YNWYPYIAYJCNJJ-QFIPXVFZSA-N 425.621 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(F)(F)F)CC1 1705794050 TTZVVRPNSNOZKZ-UHFFFAOYSA-N 446.521 4.898 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCCCO1)c1ccccc1 1705798221 NAIYXDKCSJHLQB-ZEQRLZLVSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1 1705813713 QWJZAXWDJFPCCE-UHFFFAOYSA-N 430.330 4.605 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2C)C1 1705825734 BQQKYHPWEAIFDR-FQEVSTJZSA-N 437.975 4.889 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1705826208 RFUFECAZGFCDFM-HSZRJFAPSA-N 448.995 4.595 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CC[S@](=O)C(C)(C)C 1705862560 OLUHNXZVBOYSSZ-PMERELPUSA-N 432.609 4.815 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705888848 YEOKHFYOVJHRNK-ZVZYQTTQSA-N 431.378 4.917 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2sccc2C)C1 1705928598 GIIRJLFUCMJAQZ-NRFANRHFSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1705947345 IMQALUYOLDXBBH-WOJBJXKFSA-N 444.620 4.570 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1708484781 AWWHNWVGHUTSFD-QMHKHESXSA-N 447.530 4.774 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C)c(C)s1)C1CCCC1 1709969676 CUITZKFTWJVDFL-UHFFFAOYSA-N 436.585 4.619 30 10 IJEE C=C(Br)Cn1c(CC)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1722486403 YOOVHBWOXBYMIH-LLVKDONJSA-N 440.183 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1722491098 HNSOTEYRJBXFPV-BUZMGHMJSA-N 438.616 4.958 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccc(C)o1 1722503165 VVIRFKIZUMJVRU-JPYJTQIMSA-N 440.519 4.515 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1722524687 LIBKKCCBKFFHGL-RTBURBONSA-N 430.980 4.730 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1722563878 ZMPSSUFEUXSNPU-UHFFFAOYSA-N 431.462 4.581 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722592759 YPKNIJAVXJYDMV-UHFFFAOYSA-N 442.696 4.533 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc2c(s1)C[C@H](C)CC2 1722635347 WZYURUAKWVSCGY-CVEARBPZSA-N 441.576 4.809 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)CN1CCCCC1)C1CC1 1722646284 LWRDNEVOXSQBGL-GOSISDBHSA-N 444.023 4.884 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1CCCC 1722655732 QDXIRXNCTFZZRX-UHFFFAOYSA-N 439.361 4.900 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1c(CC)nn(C)c1CC 1722657471 CFCCBNGKTIHHBN-DEOSSOPVSA-N 448.615 4.619 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCOC2CCCCCC2)C1 1722722870 TXEXQVMOGDAJDF-XMMPIXPASA-N 438.616 4.698 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@H](C)C1 1722735561 RBHGZZCPUGCCMI-JKSUJKDBSA-N 434.700 4.992 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1)OC 1727251682 BKUMUHWOJLKZMF-FQEVSTJZSA-N 431.496 4.635 30 10 IJEE CS[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1731045883 BIKQQWPMYUAJSS-OXQOHEQNSA-N 439.963 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC1CC(OCC)C1 1740542765 ZJHUMXRMWQYZEP-UQPPLGOBSA-N 449.368 4.510 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC1(CC)CCCC1 1740633575 MNRLWLUWBXHAFB-UHFFFAOYSA-N 431.403 4.812 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCCc1nc(C)cs1 1740651564 IVQBFGLNXIOESR-UHFFFAOYSA-N 438.000 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)COC 1740769476 MSVFSAKKHOYQKC-UHFFFAOYSA-N 427.412 4.844 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1740827681 HBLUMLVJUIBLKP-SJLPKXTDSA-N 449.368 4.914 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCC(C)C)cc2)CC1 1740840979 FNAYRBRYIANQRD-UHFFFAOYSA-N 448.615 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)CC1 1740845156 GURLOFCODKTJTG-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](SCC)C1 1740851701 BZLKYNIFEKDZRB-ZCNNSNEGSA-N 436.666 4.716 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H](CC)N1CCCC1 1740914436 FRWJCIJKMBVTOA-HSZRJFAPSA-N 444.583 4.785 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCC1 1740924434 QUFQTDJAJFUUEQ-UHFFFAOYSA-N 444.988 4.680 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(Cl)nc1 1740938597 JEJBBXFRNWZKCB-UHFFFAOYSA-N 439.991 4.978 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCCN1CCCC 1748684425 JBBFYZKCDZUKDJ-PKTZIBPZSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnn(C)c1C 1748698194 DLAQERWYFIRWAK-SFHVURJKSA-N 440.979 4.553 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1ccc(C)cc1 1748774959 AGCHCSGEXRFXDM-OAHLLOKOSA-N 429.387 4.951 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C1CCCCC1)N(C)C 1748940912 SOKZHJAVDWGQHC-QHCPKHFHSA-N 439.623 4.865 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1Cc1nc(C)cs1 1748947013 XELJNSDORCFLOP-UHFFFAOYSA-N 437.569 4.523 30 10 IJEE C=C(Br)Cn1c(N(CC)CCCOCc2ccccc2)nnc1C(C)(C)C 1749112522 KHTAAYNSDOJRGG-UHFFFAOYSA-N 435.410 4.917 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 1749385207 OTGYVHRRTZRDOX-JOCHJYFZSA-N 437.632 4.531 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1cccs1 1749434405 RHHIYGDNGDUNGT-MRXNPFEDSA-N 427.599 4.639 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)C1 1749701260 RMBAWLJBBSSCRK-RBZQAINGSA-N 438.616 4.740 30 10 IJEE C=CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCSCC1 1749746980 RGYJRFOLHUXNOY-UHFFFAOYSA-N 442.610 4.590 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@@H](c1cccs1)N1CCCC1 1751090464 DVBFESPJKILXED-XLIONFOSSA-N 438.576 4.721 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](C)c1nccs1 1751121546 BPXUHPWMKMEKPZ-PMPSAXMXSA-N 428.537 4.556 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccc1OC 1760283673 XCBPFXQTKFGNAB-UHFFFAOYSA-N 447.029 4.595 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1c1cnn(C)c1 1760370120 HXCVXYGCHGLJJS-KRWDZBQOSA-N 447.768 4.535 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1760390719 LQYIPLWZSDJJQD-KBMIEXCESA-N 443.586 4.814 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccnc2OCCC)CC1 1760392390 OIYHRMFMZLRYQT-UHFFFAOYSA-N 433.556 4.554 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC[C@@H]1C 1760425387 LCYADQJQDLVBHX-RBUKOAKNSA-N 449.665 4.691 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760435572 NWEGFTYVRLIOIN-ICSRJNTNSA-N 425.577 4.569 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760439696 QIFKJFMAFGLFFM-SFHVURJKSA-N 426.952 4.564 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1c(CC)nn(C)c1CC 1760482693 NFZKFRMAXPUQED-UHFFFAOYSA-N 434.632 4.966 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1760484640 GJENSNWOTOHJTA-UHFFFAOYSA-N 448.546 4.669 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCSC1 1760500337 YJVXMJROYRKJGL-KRWDZBQOSA-N 444.004 4.965 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccoc1 1760500524 MJLVYVRHCISZGQ-UHFFFAOYSA-N 435.553 4.657 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCC(C)CC1 1760560949 KRLNBEXJDOHTRH-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1760974139 DNVNFKCWDAPGCE-IFMALSPDSA-N 435.597 4.966 30 10 IJEE CCc1cnc(CCn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)s1 1762680571 FVAJKHJGGPEJDN-UHFFFAOYSA-N 441.004 4.990 30 10 IJEE CCO[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N)C1CCCC1 1765797405 BTJCEYSHGMUQJF-ZHHKINOHSA-N 445.652 4.920 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)C1 1766781687 FREBQFJSPKRAGM-LEWJYISDSA-N 439.629 4.622 30 10 IJEE CCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1767640606 AWUIEZSPHAJKHL-SFHVURJKSA-N 430.556 4.674 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCO)CC1)C(C)(C)C 1771397721 FEZLYFQVTCPWEC-NRFANRHFSA-N 441.645 4.583 30 10 IJEE CC(C)C[C@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)C(=O)O 1858944944 WWAMFAMMXGPMFU-NRFANRHFSA-N 445.475 4.551 30 10 IJEE CCOc1cccc(CCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c1 1859656953 KVHGWXOONZHBAY-UHFFFAOYSA-N 439.519 4.879 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1C 1861009774 DEROYPPIBOQDJO-JOCHJYFZSA-N 439.556 4.721 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1F 1862383845 XIUIMKYBPRTMFL-SFHVURJKSA-N 438.282 4.747 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862480103 XXQMAIDSPPROMU-OAQYLSRUSA-N 447.512 4.622 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862533599 KTBUEVLVCPUFLR-XMMPIXPASA-N 443.547 4.917 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(C)c1 1862673063 BFXFBGAVBHRYLP-QHCPKHFHSA-N 438.543 4.834 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 1870001803 VCHYDUFPIOUOGJ-UHFFFAOYSA-N 435.959 4.979 30 10 IJEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(OCCCC)cc2)cc1=O 1870815882 GOBYYXYFTFWHHA-UHFFFAOYSA-N 428.573 4.757 30 10 IJEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCCO)C4)c2ccccc21 1871352061 NMCAVYLVIPDNOY-OYKKKHCWSA-N 446.547 4.900 30 10 IJEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871371702 DOMLLBPQBFDYLL-MTJSOVHGSA-N 433.391 4.807 30 10 IJEE CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)OC(=C(C)C)C3=O)c1 1871425353 JYYOFESZJDJJPA-LJQANCHMSA-N 437.492 4.837 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)Nc1ccc(Cl)cc1 1871440839 KFONZVSLXUVKRT-YVNNLAQVSA-N 449.846 4.702 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 1871457105 PRHFVAFCDIJBJZ-OYKKKHCWSA-N 429.472 4.891 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)nc(Nc2ccc(OCCC)cc2)[nH]1 1871725093 SSUUWQXBNAGCBG-UHFFFAOYSA-N 448.546 4.756 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 1871892535 OCWYJTYRKJBMKJ-QHCPKHFHSA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CCCC 1872117903 ZVNWFCZWVVWUDM-MRXNPFEDSA-N 440.915 4.694 30 10 IJEE Cc1cc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)ccc1Br 1872796345 VWZVVIARYDIDOV-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE C=CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2c(N(C)CCCC)ncnc21 1873561843 BHEAEEANWYQFLP-UHFFFAOYSA-N 445.611 4.949 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc(F)c1 1874220039 RHLOWEXZAZECIX-MFKUBSTISA-N 440.544 4.988 30 10 IJEE CCOc1cc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SCC)ccc1O 1874327063 UKEBQKHYRFZZLM-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc2c(c1)OCCO2 1874362593 MIHHNNRGSHDCMA-MFKUBSTISA-N 434.565 4.693 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1F 1874367844 HPIZXZPVKTVJRN-BHGWPJFGSA-N 446.935 4.911 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874427152 SYTUCUUBNKNZOG-MFKUBSTISA-N 443.532 4.572 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1sccc1C 1874465958 KBBYLZQRTGJZKF-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(CCOC)nnc2SCCc2ccccc2)cc1 1874473024 JFJGQOYYTDBQBY-NCELDCMTSA-N 437.613 4.530 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)C)c1 1874512171 ZPMODTGMCGMDBU-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)NCc1ccccc1 1874575032 RKEJGWPWWHJMTO-CCEZHUSRSA-N 435.907 4.940 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OCCCO 1874609614 ASZYXHIPSMVNLT-MDZDMXLPSA-N 431.326 4.844 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1 1874610542 YGDYVIHNUFZTTG-NTUHNPAUSA-N 432.432 4.517 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875163702 YGHFLHUNENULJV-CLNPQZTCSA-N 428.431 4.682 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1875164706 WRSZGQGBRVXVFV-SOFGYWHQSA-N 432.900 4.812 30 10 IJEE CC(C)(C)OC(=O)N(C1CC1)[C@H](C#N)c1sc(Cl)cc1I 1889589994 YKTTTXMXBAELIK-SNVBAGLBSA-N 438.718 4.970 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3sc(-c4ccccc4)nc3C)n[nH]2)c1C 1891052003 QQRZSOZKAHCYGT-UHFFFAOYSA-N 446.580 4.828 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 1912151515 IKZAXXQSKKKGCC-XFQAVAEZSA-N 434.541 4.606 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(CC#N)C1 1985178875 MDSHXQQCNGCYNL-YJVWEYQDSA-N 445.563 4.748 30 10 IJEE Cc1ccc(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2060624123 UUCAXQTXEXNKSI-UHFFFAOYSA-N 430.354 4.506 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C#N)c1I 2079856472 SKILDUSCHMWDFU-SECBINFHSA-N 431.199 4.865 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C3CCC3)c(C=NO)c2I)c(F)c1F 2079924939 FXKUPWLCFYOEQS-SNVBAGLBSA-N 445.251 4.759 30 10 IJEE CC(=O)Oc1ccc([C@H](n2nc(C(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080075455 QPOCJNRPSYUZAI-SFHVURJKSA-N 434.334 4.892 30 10 IJEE N#Cc1c([C@@H]2CCOC2)nn(Cc2ccc(C(F)(F)F)c(Cl)c2)c1Br 2080341708 YCGCICVIVATTEB-SNVBAGLBSA-N 434.643 4.742 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1F 2102880362 OBHZHFGCJAOZAP-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(Br)c1F 2102883678 FXGBAGICDQBFFS-WMLDXEAASA-N 431.321 4.685 30 10 IJEE C=CCOCCN(C)[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134732449 UUGLVSAZQNBSNT-AREMUKBSSA-N 446.591 4.979 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 2159126197 SCRKCVICBNRNAL-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3cc(Br)cnc3C#N)C2)CC1 2167612259 GJSUTTFGDXAWAR-OAHLLOKOSA-N 435.366 4.697 30 10 IJEE C[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631626 OYWFHZRUYABMIW-SECBINFHSA-N 432.203 4.907 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC12CC2 2220826577 OBWMGIOZWSEWRX-XMMPIXPASA-N 443.544 4.730 30 10 IJEE CC(C)[C@@]1(C)CSC(=Nc2ccc(Br)cc2I)N1 2223670269 VKCYFIRYODKQEM-CYBMUJFWSA-N 439.160 4.792 30 10 IJEE CC1(C)OB(c2ccc(Nc3cc(Cl)c(Br)cc3F)nc2)OC1(C)C 2232243861 RTDDSHNIMHARAM-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC1(C)OB(c2cccnc2Oc2cc(F)c(Br)cc2Cl)OC1(C)C 2232310143 RGZQFZUDEQGYDA-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255778039 MMZDTGNYWGRRHM-GOSISDBHSA-N 425.353 4.812 30 10 IJEE C=C(CN(C)C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 2268652933 XOWNOVCTAUFFRD-QGZVFWFLSA-N 444.381 4.532 30 10 IJEE CC1(C)OB(c2ccnc(OCc3cc(Cl)ccc3Br)c2F)OC1(C)C 2280710166 ZRFXRFYGEADLFS-UHFFFAOYSA-N 442.521 4.515 30 10 IJEE C=CCC1([C@@H](NCC)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2281447774 PTVRYNMDRKOAAD-SFHVURJKSA-N 439.394 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](N)(C#Cc3cccc(Br)c3)C[C@@H]21 2296226698 HXZOSSAKPGEJGM-LZNRXBQRSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2296291805 SEYOCHQGJUPMLM-IEBWSBKVSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2296294779 XRMJOEMZRUMFJM-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2296295144 ABJFBIQPIKBMJP-MISYRCLQSA-N 435.406 4.720 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 2296777433 FALLUFXCCVFCIL-NRFANRHFSA-N 434.517 4.552 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2296867597 ZKSVBPCCXGBGDZ-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE C=CCOc1cccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 2297741366 DEFYLDWVPGMQLV-XMMPIXPASA-N 440.499 4.577 30 10 IJEE CN(C)c1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 2297745946 GHVFAQGUFOJNHZ-NRFANRHFSA-N 436.895 4.621 30 10 IJEE CCCCCCCCN1C(=O)C(=Cc2c(NCC)nc3ccccn3c2=O)SC1=S 2314414857 OYWMNLDKKAKMRX-UHFFFAOYSA-N 444.626 4.688 30 10 IJEE N#Cc1cc(Cl)nc(Oc2cc(Br)cc(I)c2)c1 2316685921 MVUZENJAEREYQF-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE COCCc1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2321911807 YRSLDOVMBVIUBQ-UHFFFAOYSA-N 437.352 4.524 30 10 IJEE O=C(COc1ccc(Br)cc1C=CC(=O)c1ccccc1)Nc1nccs1 2322542586 PITGSMAEYIAAQZ-UHFFFAOYSA-N 443.322 4.819 30 10 IJEE COc1c(Br)cc(C=NNC(=S)Nc2ccccc2)cc1Br 2323047685 BCFYSACKDKYDHH-UHFFFAOYSA-N 443.164 4.541 30 10 IJEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323228683 DOMLLBPQBFDYLL-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCCCO)c(OC)c2)cc1OCCC 2323752192 HTAXVPSVPSUWET-UHFFFAOYSA-N 428.525 4.930 30 10 IJEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccccc2OC)ccc1OC 2325722820 FUTGTWZMZFPRPL-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326401352 SKMOSXBFMDCZFR-UHFFFAOYSA-N 425.514 4.549 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(SCCO)n1N=Cc1ccccc1Cl 2326433182 WBGMZQUSPJHVQB-UHFFFAOYSA-N 444.988 4.527 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccco1 2328460348 JEUGPUDRLNNTNV-UHFFFAOYSA-N 437.456 4.684 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cc(OC)ccc1OC 2328568942 QJERTRPPZHLXIG-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330472061 CCNONMCNMTZGFI-UHFFFAOYSA-N 449.624 4.667 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(OC)cc2)o1 2330667967 MITZFCHCUKOKNP-UHFFFAOYSA-N 448.504 4.508 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccco2)cc1 2330821085 JNYDBJXLZQIHMT-UHFFFAOYSA-N 425.558 4.635 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)[C@H]1CCCO1 2330879304 SLROEYXKFWCPGT-HSZRJFAPSA-N 436.504 4.721 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2330974519 KQOLDJASBWJCBO-UHFFFAOYSA-N 437.404 4.710 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C(F)(F)F 2331016299 MPDKSTLARIWEKK-UHFFFAOYSA-N 429.734 4.621 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(CCOC)nnc2SCc2cccc(F)c2)cc1 2331259798 BINQRYVSDFFOKZ-UHFFFAOYSA-N 441.576 4.627 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331293415 IECNZUAWPZLGLC-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CC2)cc1 2331733093 PWVRXHZCMHXKIQ-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE COC(C)(C)C#C[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338366673 DKMUBZNLWSMBRO-RPLLCQBOSA-N 445.559 4.634 30 10 IJEE CN[C@@H](C#C[C@@H]1CC1(C)C)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2365093808 QGYYZADJKLSFGS-NZSAHSFTSA-N 435.406 4.522 30 10 IJEE O/N=C1/C[C@@H](Sc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2)[C@@H]2CO[C@H]1O2 8856124 CRCGPAKBIIZFSD-NFNRWFHTSA-N 447.438 4.752 30 10 IJEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(C)cc2C)n[nH]1)c1ccc(F)cc1 21082101 WZPJCZOMRDJBDG-MFKUBSTISA-N 426.521 4.518 30 10 IJEE C=CCc1cc(/C=C2\C(=O)N(CC=C)C(=S)N=C2O)cc(OC)c1OCc1ccccc1 33314280 GUJBKFAYCVLUBA-ZHZULCJRSA-N 448.544 4.656 30 10 IJEE NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1Cc1cccc(C(F)(F)F)c1 34769543 UVWMTKFWHJQKHT-UHFFFAOYSA-N 433.430 4.680 30 10 IJEE COc1ccc(C(=O)O/N=C(\c2ccc(OC)cc2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 38194987 JZUFUKPTMPEVPI-KTBVQQIISA-N 445.471 4.797 30 10 IJEE CC[C@@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)Nc1oc(C)c(C)c1C#N 40169260 YHPYQRJDMMVLDO-QGZVFWFLSA-N 432.432 4.931 30 10 IJEE O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCCS/C1=N/c1ccccc1 96557888 FBHRZXGAYXDXRI-OCEACIFDSA-N 440.528 4.653 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2C)c1 169937137 QWFNYVBEEXTAAD-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 169938414 JEFUPEYIDAEJNO-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)c1 170066420 HTPFWZBXBCJQKG-UPVQGACJSA-N 449.547 4.966 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc3cccc(OC)c3o2)=C(O)C(=O)N1C1CCCC1 170126188 HJJXLMZVAPFZRM-QFIPXVFZSA-N 447.487 4.971 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(N(C)C)cc1 170129754 VBWRASWSDLYGJY-IBGZPJMESA-N 427.570 4.594 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1cccc(C)c1 170148385 UQNIMRVHCFSQJW-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170162045 DABZXHWPOVFHJC-SJKOYZFVSA-N 438.332 4.812 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(O)c(Cl)c1 170220005 XEFSQKKLUMKWSJ-HXUWFJFHSA-N 429.900 4.821 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)c1 170234197 OAXBAHZLYAAPLW-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(Cl)cc1 170235628 PLYYOFVXIBOUCA-FQEVSTJZSA-N 443.927 4.580 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266349 FZIVSJUOMRRLFR-HSZRJFAPSA-N 431.488 4.938 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C)o1 170304283 YRFDBCGETUXLNF-WNSKOXEYSA-N 445.471 4.703 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1ccco1 170316414 CQUHINKUSFBEAT-VBKZILBWSA-N 435.501 4.751 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(S)nnc1-c1cc(-c2ccccc2)[nH]n1 254567899 UVZUGQPONMMYGP-UHFFFAOYSA-N 426.505 4.668 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCCCC[C@@H]2C(=O)O)cc1OCC 426741889 NGFRBZXYAQVVJS-FUHWJXTLSA-N 440.378 4.926 30 10 IJEE N#CC1CCC(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)CC1 441140836 ZGSDJOVQPWGTSF-UHFFFAOYSA-N 449.555 4.612 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 460912298 TZSLCIPPSRHUAE-NRFANRHFSA-N 438.535 4.670 30 10 IJEE C=C(C)[C@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)c1ccc(F)c(F)c1 478921224 IEXWPWVYHZKHTG-QHCPKHFHSA-N 441.522 4.662 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 482487410 WNXAHZPGRJGONL-UHFFFAOYSA-N 435.474 4.833 30 10 IJEE Cc1nc(C2(NC(=O)c3cccc(COc4ccccc4C#N)c3)CCCCCC2)no1 513261543 KCXNDAKBOYSOPT-UHFFFAOYSA-N 430.508 4.808 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2Cc2ccccc2)o1 558931327 YONIPEMTRPBUON-UHFFFAOYSA-N 439.519 4.814 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)CC2)c(F)c1 560765430 SHPNQEKLLAAXOY-ZWKOTPCHSA-N 448.416 4.769 30 10 IJEE CCCCCCCCCCCCCCC/C=C/C(=O)NCC[N@@+](C)(CCO)[C@@H](C)CO 642772004 HTGPYUKKIPCACT-GXYJZXMASA-O 441.721 4.960 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=S 728286310 SMPLQSQYUXDAGT-LJQANCHMSA-N 438.528 4.929 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cccc(C)c1 733197209 LXSQQBIMOQIMHV-QFIPXVFZSA-N 449.576 4.767 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 733202352 QNLKIVIYYCOZBA-GOSISDBHSA-N 447.894 4.602 30 10 IJEE Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)OCc3cc(Cl)ccc3OCC#N)C2)c1 735345214 NCXOXSMNLISCGO-QGZVFWFLSA-N 441.915 4.538 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)ccc2c1=O 760919434 DDMSVYYZFIPSII-UHFFFAOYSA-N 447.482 4.963 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)/C=C\c1ccc(Br)cc1 796122191 PMRQQQKXNOAIGC-KTKRTIGZSA-N 438.391 4.605 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 849524292 HJFRKSOAIGOONE-JWQCQUIFSA-N 446.620 4.510 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1 1084035625 UMRWNXSHJKATHR-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 1124935229 CFARVHGWNKVBBX-UHFFFAOYSA-N 434.490 4.809 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(Sc3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1125577218 UQQMECXERQKJNA-XMMPIXPASA-N 438.549 4.931 30 10 IJEE O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(C(F)(F)F)ccc1F 1126219223 BNWNBIDSIYYYCM-LBPRGKRZSA-N 436.327 4.752 30 10 IJEE Cc1cc(NC(=O)COc2cccc(Br)c2C#N)ccc1OCC(F)(F)F 1126374969 GWRFIVCIMRCLDK-UHFFFAOYSA-N 443.219 4.588 30 10 IJEE C#CCC1(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)CCOCC1 1133709422 GXNPFDWRAIYGBE-UHFFFAOYSA-N 449.348 4.967 30 10 IJEE CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)N1C[C@@H](C)O[C@H](C)C1 1137036631 BAUZWXRYCPYIPT-QZMQVMSPSA-N 425.504 4.562 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)C[C@H](O)c2ccc(F)cc2)s1 1137724405 HSCXZENLYZYFHO-LRDDRELGSA-N 428.982 4.606 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(Br)cc1 1139370552 AWZQQEDRSGRIOC-IUODEOHRSA-N 431.758 4.662 30 10 IJEE C=CCc1cc(CNC(=O)CC[C@@H](O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1142602482 AMKYSGRPZXQVLU-JOCHJYFZSA-N 425.569 4.860 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(Cc3cccc(Br)c3)C2)cc1OC 1150133308 KRUGDMDUCCDJPT-CSKARUKUSA-N 442.353 4.737 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CC)c3cccc(C(F)(F)F)c3)ccc2c1=O 1162800383 GEDLVZLCCDETRT-UHFFFAOYSA-N 433.455 4.557 30 10 IJEE C=CCC1(CNCc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)CCCC1 1202382414 YUJWBTULYMWYSI-UHFFFAOYSA-N 427.416 4.931 30 10 IJEE C[C@](Cc1cccc(Br)c1)(NC(=O)Nc1cccc(C#N)n1)c1ccccc1 1206772744 DONJVZLSZRYAGL-JOCHJYFZSA-N 435.325 4.995 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccc(F)c(F)c1 1211575920 MPLCNPYSOLRCMS-MRXNPFEDSA-N 425.350 4.598 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1 1254815779 MAUSHPAZBPTACP-UHFFFAOYSA-N 431.577 4.573 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CN(C)C(C)C)CC1 1286317177 CWVDYQIXLUVEAT-UHFFFAOYSA-N 444.627 4.853 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1286337064 VQJVDFMZMYGZEY-KXTWHKPSSA-N 443.389 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CCSCC 1286552295 PKOXNOMUSVQIFT-NYVOZVTQSA-N 439.629 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1286559448 WPQKOSQTAPZCIU-WWEVIYMKSA-N 435.547 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1286582702 CMSQRLDRRMEDDI-GMKZXUHWSA-N 437.632 4.833 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](c2ccco2)C1 1286635801 BPHBJXPPJHHEOR-GOSISDBHSA-N 446.960 4.502 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccc(F)c2)CC1 1286638791 MPCNDOQMTWQLOT-RUZDIDTESA-N 442.579 4.592 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CCOC)CCCC2)CC1 1286641390 XHAXKOAEPJUFPQ-UHFFFAOYSA-N 425.533 4.607 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ncccc2C)CC1 1286653890 DYNSCYLBDRNFSB-UHFFFAOYSA-N 433.556 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286669950 YMHHSMCQTYDQPI-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H](C)C1 1286747557 KECZKNJHJBQWHH-HXUWFJFHSA-N 446.624 4.803 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)CN1CCCC1 1286959773 ALBYLUGLCNHPEI-MOPGFXCFSA-N 440.661 4.603 30 10 IJEE CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CCC[C@](C)(C#N)C2)c1 1287318686 CTZZUADONQTHMM-RUZDIDTESA-N 436.604 4.640 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)cc2n1 1289216174 RQGDOOGRMBTKKU-UHFFFAOYSA-N 428.414 4.620 30 10 IJEE C=CCCOCCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1296015008 TYTKGDFQSFFAHP-UHFFFAOYSA-N 448.563 4.547 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 1300267788 KPHYLBSVOBRYER-RBUKOAKNSA-N 443.542 4.821 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1300353542 WCPXXSIPZUGMAL-XLIONFOSSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1300394210 NHLSEOFPXKEHMA-JOCHJYFZSA-N 442.629 4.734 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCC(F)(F)C1 1300591549 SFPHXTHWHDWLTA-OAQYLSRUSA-N 449.549 4.960 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1300843506 FZCUALXWRHXDOS-SFHVURJKSA-N 435.366 4.623 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2ccc(C)cc2)nnc1[C@]1(OC(C)C)CCOC1 1301061464 VFAUUHHTAIEWJO-REWPJTCUSA-N 430.980 4.721 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2nc(C(F)(F)F)cs2)CC1 1301119263 BXYLRNWLQWNKPG-UHFFFAOYSA-N 449.502 4.880 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1301119476 KHYISZDZLLTHKP-UHFFFAOYSA-N 439.604 4.959 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCSC 1301220498 BHHRNWZFFOZACY-SFHVURJKSA-N 437.654 4.548 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCn2cc(C)nc21 1301341025 NCXCNOQZMGSMCD-CVDCTZTESA-N 443.599 4.938 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(Cl)cc2)n1CC1(C)COC1 1301364893 BJMUXYUPALACAB-UHFFFAOYSA-N 444.988 4.801 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1301399471 ODUGPOBMPUUYBY-ZCYQVOJMSA-N 447.627 4.970 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccco1)C(C)C 1301530266 XGMRMUIZHWQYFO-OAQYLSRUSA-N 436.556 4.793 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)OC 1303685470 DHNAIPBTKRRXIC-SFHVURJKSA-N 428.510 4.682 30 10 IJEE COc1ccc([C@@H](NCCC(=O)Nc2sc3c(c2C#N)CCC3)c2ccc(F)cc2)cc1 1307551399 IFNKAHQQMBUXIR-DEOSSOPVSA-N 449.551 4.964 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1OC 1308512833 LWERONFFVIHZDF-BBRMVZONSA-N 438.284 4.612 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2C)c2ccccc2Cl)c(C)c1 1309230059 CLHNURXSHCTCDL-HSZRJFAPSA-N 440.952 4.905 30 10 IJEE C=CCN(C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)c1nc(-c2ccccc2)cs1 1348498488 XUTREEHLJBPXDG-UHFFFAOYSA-N 437.475 4.837 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)cc1 1352247524 KJYDNPFMAPGQCH-UHFFFAOYSA-N 434.536 4.524 30 10 IJEE C=CC[C@]1(C(=O)N(C)c2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1352644607 AHQNMQZXMWIGFV-HXUWFJFHSA-N 428.451 4.894 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3c(C(F)(F)F)nc4ccccn34)s2)cc1 1353517210 BZBFFECMOSEDSY-UHFFFAOYSA-N 427.411 4.524 30 10 IJEE CC(C)[C@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)n1nnc(-c2ccccc2)n1 1354724725 DDWBFNGDIMSDNQ-HXUWFJFHSA-N 434.569 4.768 30 10 IJEE Cc1cc(C#N)cnc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)N(C)C 1355669244 COWFSVGZDIFJNO-HXUWFJFHSA-N 433.383 4.797 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(-c3c(C)noc3C)nc2C)cc1 1355841873 CUSSDCYXKNSQNJ-UHFFFAOYSA-N 436.537 4.790 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(I)ccc2Cl)cc1 1355948857 CFZWZLXDWIMGHF-UHFFFAOYSA-N 427.669 4.691 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc3nc(O)n(CC(C)(C)C)c23)cc1 1357632643 ZSYOHRBBODYJST-UHFFFAOYSA-N 446.551 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](COC)C1 1359090536 CMGZARVHGQQCIX-RBVMOCNTSA-N 438.616 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)c1nc(C)cs1 1359108840 FHTASXADXFLBRY-HNNXBMFYSA-N 426.546 4.824 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359205128 NCGZZLQYFFAUBU-LJQANCHMSA-N 431.625 4.813 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1C[C@H](F)C1 1359261782 WATSBNQSKQYMEW-XUTJKUGGSA-N 440.542 4.610 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC1(OC)CCCCC1 1359265045 WYXOJKKVLNDTKT-UHFFFAOYSA-N 437.613 4.867 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1ccco1 1359268291 KZTACOJTAIJWLK-NRFANRHFSA-N 433.339 4.931 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](C)CC)c1 1435213783 ALZGADXNPXQLGP-SJORKVTESA-N 434.989 4.886 30 10 IJEE C=CCC[C@@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)C(=O)OCC 1449722983 BZJUMEZYWCLAEE-OAHLLOKOSA-N 438.952 4.894 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)C2(CCC2)CC1 1458557818 YIEKFXOOYVWVQN-UHFFFAOYSA-N 438.341 4.830 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)[C@@H]1CCc2ccccc21 1459342900 GPAHDXHSGFIOIY-AREMUKBSSA-N 437.543 4.809 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c1C#N 1460567605 GGZKCKMIRYGXTM-GFCCVEGCSA-N 446.370 4.671 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1 1465381445 MONGROMMKPSBSS-QFIPXVFZSA-N 443.975 4.878 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1465406845 MWEKVLJUBPNANM-GOSISDBHSA-N 435.446 4.715 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCCC3)CCO2)c1 1466608590 BYPUTCLGWLAENC-NRFANRHFSA-N 439.353 4.733 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 1472175131 KJLHQQQFGQFYEE-UXHICEINSA-N 446.588 4.744 30 10 IJEE C#CCN(C(=O)Nc1ccccc1SC(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1475875165 ATMHNORYVAVOMC-UHFFFAOYSA-N 439.528 4.868 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)C1 1476662624 IZWXRYZEWGYUFP-IBGZPJMESA-N 427.570 4.924 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C#N)CC1)SC 1496591007 CHMTVHDVTWATSF-UHFFFAOYSA-N 427.618 4.827 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(CC)C2)c(C)n1 1500518213 CUNSFSBFDOLCRP-VWLOTQADSA-N 431.588 4.797 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507673470 VYNDNKNJEVLNRA-WOJBJXKFSA-N 444.501 4.922 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1507679661 PEQYPVSKIURTQG-UFYCRDLUSA-N 444.023 4.651 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@H](C)C1 1507704545 GIYDGVWJTXJVSZ-FUHWJXTLSA-N 445.405 4.538 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCCC[C@H](SCC)C1 1507753621 NAPMCWYCBHATBN-NRFANRHFSA-N 428.671 4.656 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1507829527 AYGNJUMPWPMNIC-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](OC)C1 1507836848 BJCKFZHSFCUTNC-UYAOXDASSA-N 448.995 4.506 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1507858029 AADJFXXQLXCXPY-MRXNPFEDSA-N 430.339 4.749 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1c(C)nn(C)c1C 1507858116 CZJYONFUGGRQQN-UHFFFAOYSA-N 439.778 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1507910368 PDWVWDHKBMWURA-HXUWFJFHSA-N 439.604 4.611 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507934720 GIMKSIGBATXCAG-OALUTQOASA-N 428.581 4.766 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCCOC(F)(F)F 1508000529 XUKQKCKPAYAVBD-UHFFFAOYSA-N 445.445 4.837 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC(C)(C)[C@@H]1C 1508151917 QEONXYSEQZTBBT-HNNXBMFYSA-N 437.009 4.530 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC(C)C)n1Cc1nc(C(F)(F)F)cs1 1509301529 ARNDAIRLXFUEJH-UHFFFAOYSA-N 428.528 4.766 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)OCCc2sccc21 1512805833 GEBQFVXCQCJWQM-MZNJEOGPSA-N 435.597 4.849 30 10 IJEE C#CCN(C(=O)[C@@H]1SCCc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 1521818261 BBZAXWNXOCMYTP-PZJWPPBQSA-N 442.378 4.765 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1523231324 JOPJPIZTWCXJCX-KRWDZBQOSA-N 425.229 4.991 30 10 IJEE C=C[C@H](CC(=O)N(CC1CCOCC1)c1ccc(Br)cn1)c1ccccc1 1524285456 SLOYYBKVGHYIOQ-GOSISDBHSA-N 429.358 4.964 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)N[C@@H](c3ccc(F)c(Cl)c3)C3CC3)CC2)c(F)c1 1526321733 FAFWABSQZFBLPV-JOCHJYFZSA-N 429.898 4.974 30 10 IJEE C=CCC1(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Br)cc3)C2)CCCCC1 1529561766 RFCBQYIDFASEES-RBUKOAKNSA-N 434.374 4.691 30 10 IJEE C#CCN(C(=O)[C@H](C)c1c(F)cccc1F)[C@@H]1CCOc2ccc(Br)cc21 1529626754 FPQYPYVVHTWFGC-FZKQIMNGSA-N 434.280 4.816 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1530533511 CQZUBDNCFHMOTM-UHFFFAOYSA-N 443.739 4.519 30 10 IJEE C=C(C)C[C@@H](NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)C(=O)OC 1531945293 FRLZUIQMKKELLT-OAQYLSRUSA-N 445.540 4.767 30 10 IJEE CC(=O)N1CC[C@H](OC(=O)c2cccc(COc3cccc(C#N)c3)c2)c2ccccc21 1534796030 QLCDLNPZVHQCFE-VWLOTQADSA-N 426.472 4.792 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)c1ccccc1 1536283972 YRGCMHGXLXXAMJ-HXUWFJFHSA-N 434.989 4.808 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)C(=O)OCC 1536578051 BOXKGKJTLSAZAP-GOSISDBHSA-N 445.972 4.736 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)c1ccccc1 1537026694 JISVWVOHWYNICI-QUCCMNQESA-N 426.944 4.915 30 10 IJEE C=C1CCC(CNC(=O)c2cc(Br)cc(I)c2C)CC1 1537414484 XDJRFKKJJDGJOQ-UHFFFAOYSA-N 448.142 4.838 30 10 IJEE CC[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1cccc(Br)c1 1538609030 AJTFMIPTLYCQIN-HNNXBMFYSA-N 438.325 4.974 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 1538704790 YXXLTWJVOKDQQL-UHFFFAOYSA-N 440.524 4.776 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)[C@@H](C)COC 1538864753 SMYDIKIMBYPPGC-HNNXBMFYSA-N 440.341 4.722 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC=C)Cc1cccs1 1539071766 DLEFENLWSPXZNP-QFIPXVFZSA-N 434.565 4.848 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(Cl)c(OC)c1 1539154305 IBUMETGZCSVSLO-HNNXBMFYSA-N 441.000 4.911 30 10 IJEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](c1ccsc1)N(CC)CC 1539186403 GREQLZKOHKNLER-HSZRJFAPSA-N 446.624 4.564 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(O)(CCC)CCC 1539246696 VVEYYJXEJHJCEI-LJQANCHMSA-N 438.641 4.536 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)CC[C@@H]1C 1539580201 HURAKZIEWWDDMD-HOCLYGCPSA-N 441.377 4.869 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1539603461 QGQGNPFUUDJSGS-WBVHZDCISA-N 436.423 4.701 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539835791 HIVFDRRUMANUMT-MJGOQNOKSA-N 441.576 4.648 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2csc(C)n2)CC1 1539874315 LQIWMRDUPXGZOG-INIZCTEOSA-N 441.576 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1539920287 ARVUZDCWWQMPCA-SFHVURJKSA-N 433.641 4.915 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1539940200 OOTMPQSQAMAOJI-WPFOTENUSA-N 444.627 4.927 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1539947534 OFTNFMVHKMYGQT-MRXNPFEDSA-N 445.558 4.955 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1540065669 HTHFHCYPGUWPEW-SFTDATJTSA-N 447.631 4.510 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1CCc1ccc(Cl)s1)C1CC1 1540111888 PTBZZEOFGGNTOV-UHFFFAOYSA-N 428.989 4.990 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@H]1OC 1540121734 VTQXVLKKANLGCL-IFMALSPDSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1Cc1nc(C)cs1 1540122132 PWKMERCYHIZUDC-UHFFFAOYSA-N 441.564 4.526 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)s1 1540186558 DHVFWNJVXLDSRH-INIZCTEOSA-N 432.977 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C/C=C/CC)C1 1540896164 HVHNKHUHTAWDQR-FUTAKVPZSA-N 437.371 4.911 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CCCC2CCOCC2)c1C 1542029345 CTAMUDGHHXUWSC-CTNGQTDRSA-N 439.604 4.980 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1543140684 OUFCBESDNGOKTR-OAQYLSRUSA-N 444.572 4.565 30 10 IJEE C=CCn1c(SCC(=O)N2CC(C)(CC(F)(F)F)C2)nnc1-c1ccc(Cl)cc1 1557004963 AVDXSTSGDYXENY-UHFFFAOYSA-N 444.910 4.678 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](Nc2snc(Cl)c2C#N)C1=O 1559185656 AGTWSYKSVDDSAF-ZDUSSCGKSA-N 439.766 4.655 30 10 IJEE Cc1cc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)ncc1C#N 1563136342 HTSWHIQICZZPOT-QFIPXVFZSA-N 434.883 4.597 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccc(F)c(F)c1 1564597881 SFPLBFQVLPVWKV-OAQYLSRUSA-N 430.886 4.639 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2Cl)cc1 1564799112 XNZOXFLGMNQQID-DEOSSOPVSA-N 434.923 4.949 30 10 IJEE C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN[C@H](C)C(=O)OC 1565535348 DCXYEWBJSCNEGI-IZAGEUPCSA-N 445.600 4.815 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)c1ccc(F)c(F)c1 1567780562 KDIPBBSZUOZJQK-QGZVFWFLSA-N 444.356 4.828 30 10 IJEE C#Cc1cccc(N(CC)C(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)c1 1585089986 KNIMOGWJGDASRW-JOCHJYFZSA-N 432.520 4.903 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@@](C)(CC)O1 1587603271 IPJWPKKASXERTE-CKJXQJPGSA-N 431.378 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)C1CC1 1587677301 FGMMENWETGMFQO-HKUYNNGSSA-N 429.609 4.634 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CCOC)CCCC1 1587931936 GEJFFNXEEIAAMH-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC(F)(F)C1 1588284533 SZYNZVYPKFFZDC-LBPRGKRZSA-N 429.334 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCC1(F)F 1589687770 NXKNJMRGRHKFTQ-LJQANCHMSA-N 429.515 4.957 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccco1 1593769381 MUACAARHZUBTGU-LJQANCHMSA-N 426.492 4.523 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccccc1 1593800450 NXTFEGIWVSPEGZ-YPAWHYETSA-N 438.616 4.771 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1OC 1594510975 GWCRBHDJJBUZPU-UHFFFAOYSA-N 444.583 4.764 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)S[C@@H](C)C1)c1ccccc1 1594546272 XQKRZISSRDWURO-SEIRJHJZSA-N 426.630 4.862 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1594583171 ZGOXMJFTNORERK-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1595044634 XCKNJZKDMCDSDP-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1595649840 VPWQQHSRUDIKIS-SJLPKXTDSA-N 443.473 4.588 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1595879658 ZJZGNLANMCHTDI-MOPGFXCFSA-N 447.674 4.549 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 1596802227 GUPFVYAZJDZXKJ-IBGZPJMESA-N 431.577 4.793 30 10 IJEE N#Cc1cnn(-c2ccc(C(=O)N[C@H](Cc3ccc(Cl)cc3)C3CCCCC3)cc2)c1N 1611273024 COUDXAVETJBUTR-HSZRJFAPSA-N 447.970 4.901 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 1615344642 HKUACEPUZPPROB-IBGZPJMESA-N 448.640 4.993 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 1617484499 MUQRGKMVROSACQ-NJDAHSKKSA-N 432.561 4.557 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2cnc(-c3ccc(Br)cc3)s2)c1 1621168177 IFJLNZORTNECLZ-UHFFFAOYSA-N 440.366 4.624 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 1628074265 APKPRBJLXAZKIV-HXUWFJFHSA-N 430.932 4.787 30 10 IJEE C=CCNc1ncc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)s1 1628241565 HIVAOTWQUPRCBX-UHFFFAOYSA-N 433.512 4.663 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C)c1ccccc1 1631091086 UBFYIDKICWZHDI-QHCPKHFHSA-N 438.549 4.504 30 10 IJEE C=CCC1(O)CCN(C(=O)c2ccccc2OCc2ccccc2Br)CC1 1638655800 DRHDJZXFLCGJNY-UHFFFAOYSA-N 430.342 4.571 30 10 IJEE CCOc1ccc(-n2c(SCCc3ccc(C#N)cc3)nnc2-c2ccccn2)cc1 1640977357 BLBQRSONYGOMHJ-UHFFFAOYSA-N 427.533 4.934 30 10 IJEE C[C@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N(CCC#N)c1ccccc1 1642829519 DZFGFXKKJMOVPC-YCRPNKLZSA-N 444.348 4.964 30 10 IJEE COc1ccc([C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C2CC2)cc1 1653890637 HVZPOEFFYAKABA-RUZDIDTESA-N 446.526 4.793 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 1653954560 XQTGUILVNPHJHX-LJQANCHMSA-N 443.522 4.668 30 10 IJEE C#C[C@@H](Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccccc1 1655604005 ODXOLZVDADILHL-HXUWFJFHSA-N 435.505 4.799 30 10 IJEE C=CCOc1c(Br)cc(CNCc2c(F)cccc2-n2cccn2)cc1OC 1656258437 QRHFJAYBDZERHT-UHFFFAOYSA-N 446.320 4.637 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C12CCCCC2 1660573278 HRTPCZAZUFNNNV-WOJBJXKFSA-N 432.611 4.830 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc(OC)c1OC 1667711449 UWYZUBVHTGTMPO-LJQANCHMSA-N 428.504 4.673 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CCOCC1 1667740596 QLQDKOWERUMITA-HXUWFJFHSA-N 445.441 4.508 30 10 IJEE COc1ccc(F)cc1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1668014019 HOLOVOJWVPNPTE-UHFFFAOYSA-N 433.483 4.844 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 1671014594 IUNKHCKKVLXGMD-IIBYNOLFSA-N 447.373 4.932 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C1CC1)[C@@H](C)C(=O)OC(C)(C)C 1678356450 WCDJHCKHZJEADC-ZDUSSCGKSA-N 439.350 4.740 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1 1678505497 WHNZCIJQHKMRRI-NRFANRHFSA-N 441.597 4.521 30 10 IJEE C=CC[C@H](NC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccncc1 1679335921 WWYXHWJLSVXBIE-SGIRGMQISA-N 447.510 4.588 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1nc2cc(Br)ccc2n1CC 1682331791 LBYPIEIXJZXOBB-GOSISDBHSA-N 441.373 4.805 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1683980197 WEOFNYCZLADJGZ-VSKRKVRLSA-N 429.605 4.947 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690424209 HIGWGXFMXGVVFQ-VGSWGCGISA-N 440.588 4.568 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 1690630003 QBMPYMPAZQWYOU-ZDUSSCGKSA-N 428.867 4.767 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1690632574 DAZLZADNHYPCMH-KSSFIOAISA-N 445.386 4.922 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690649820 XBYMGXQQFYIEKD-OAQYLSRUSA-N 437.632 4.653 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2[C@@H]2C[C@H]2C)C1 1690690299 VYIWRFXTWCOXHC-SUYBPPKGSA-N 437.769 4.723 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C)c1 1690735542 BASMULJVRSIGPW-UHFFFAOYSA-N 446.418 4.900 30 10 IJEE COc1ccc([C@@H](C)CCn2c(Cc3cccnc3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1697326887 GXOWOFVFVSFLRG-FNZWTVRRSA-N 444.583 4.596 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@@](C)(CC)O1 1705620592 YOWDJMQQJMBALJ-SQJMNOBHSA-N 426.580 4.993 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1 1705697684 WRXJPWNJTBKKGW-GHTZIAJQSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCS[C@@H](C(C)C)C1 1705704062 YMFADBAFWIHYKN-AKFKNWHVSA-N 440.657 4.736 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(COCCOCC)c2)CC1 1705781358 WXCSQURVQIIBOJ-UHFFFAOYSA-N 426.605 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC1(OC)CCCC1 1705870337 GFYKPECGTXQBKB-UHFFFAOYSA-N 449.368 4.984 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1705879248 RXDYCQUAWVQENZ-LADGPHEKSA-N 445.567 4.706 30 10 IJEE CC(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 1706265177 HUSKNILRBRRCMI-LJQANCHMSA-N 447.505 4.801 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1708042592 DANOTCKFDJWMDG-QPPBQGQZSA-N 448.659 4.887 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1708044739 GMIJKGJVTJJGNU-UYAOXDASSA-N 437.588 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](c1cccnc1)C(C)C 1722304124 WGBQKTFXSOCTDM-PZJWPPBQSA-N 449.624 4.872 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1722326534 IGMURPTYUNJSDC-JKSUJKDBSA-N 431.378 4.612 30 10 IJEE C#CCCCn1c(N2CCC=C(Br)C2)nnc1C1(c2ccccc2)CCC1 1722340827 JOQSFQCREOKSBI-UHFFFAOYSA-N 425.374 4.650 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1722388031 OEHONQCZAVYTMQ-GBESFXJTSA-N 425.001 4.733 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccc(C)s1 1722457738 MHNUPUHACTVITK-UHFFFAOYSA-N 449.605 4.973 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1722463949 QMTVCMGZZNDKQA-APWZRJJASA-N 433.046 4.969 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1csc(Br)c1 1722493292 XTEJIWRFKHHIGR-WBVHZDCISA-N 439.423 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Cl)cc1 1722508838 UOBPHPWAGADLES-RXVVDRJESA-N 425.964 4.587 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CC[C@H](OC)C(F)(F)F)CC1 1722579143 BFCUJNDLLZWKNT-FQEVSTJZSA-N 436.522 4.823 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1722583095 RCALBDPGLNOBCA-UUOWRZLLSA-N 444.645 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1722587047 XFZMSYJODCYSKL-UHFFFAOYSA-N 441.583 4.824 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1722608576 HPTHONASGSWTCY-QGZVFWFLSA-N 429.996 4.700 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C2CC2)C1 1722611608 KVRWKUAIZLFPLH-QGZVFWFLSA-N 431.378 4.919 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C(C)C 1722617158 HFBVYNHBMBDHES-VQTJNVASSA-N 431.625 4.984 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCc1cccnc1)C1CC1 1722646427 OZTZHTALYHBDJP-UHFFFAOYSA-N 438.373 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@H]1C(C)C 1722661782 AFYNGANUPROFIY-REWPJTCUSA-N 437.613 4.579 30 10 IJEE C=CCOc1ccc(Cn2c(N3CC[C@H](CN4CCCCC4)C3)nnc2C(C)(C)C)cc1 1722705467 YXXSHZQJIXHPRT-JOCHJYFZSA-N 437.632 4.501 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@H]2C)c1 1730029197 CQHUVXQSSCDVNB-OAGGEKHMSA-N 446.393 4.748 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@](C)(CC)O1 1740538794 KIQPKXQZVJYHHP-ANEIOGAWSA-N 426.630 4.937 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1740547581 YCKJTCIWTIAEFQ-XKGZKEIXSA-N 442.489 4.882 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)OC(C)(C)C1 1740584628 OGLDNOGQSMZNDR-LJQANCHMSA-N 434.540 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(CC)CCOCC1 1740725891 WCEQABSJFOJPFG-YADARESESA-N 440.563 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](CC)C1 1740765306 UDIDCTWMTNNHIF-JRSUCEMESA-N 448.677 4.510 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCc2nc(C(F)(F)F)cs2)CC1 1740828300 FXVMRLFUHKZEEV-UHFFFAOYSA-N 439.532 4.805 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(CCC)Cc1ccc(F)cc1C 1740843121 YLWZIEBNQPTZAP-UHFFFAOYSA-N 441.595 4.981 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCC2)CC1 1740865135 JFHWPLDQELHAKT-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(C)C)CC1 1740871383 YIWWYLGNVFWOTL-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1CC 1740875254 XLWGDZLTGTUXAN-GHTZIAJQSA-N 434.588 4.656 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740884267 VHKJXAYDJKWIOM-ICSRJNTNSA-N 444.645 4.872 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1cc(C)oc1C 1740892025 PJCSSSBLIGIHGM-SBUREZEXSA-N 444.963 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCO[C@@H](C)c1ccccc1 1740893316 FUIRHFLJZIKIBL-INIZCTEOSA-N 444.377 4.826 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCc1csc(-c2ccccc2)n1 1740902486 NORNGUFPVABSIM-UHFFFAOYSA-N 436.610 4.622 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(F)F 1740932920 ZHOUFZUDFOYDDI-QGZVFWFLSA-N 439.551 4.616 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1Cc1ccc(Cl)cc1F 1740936155 JJNDWEJNFLEASV-UHFFFAOYSA-N 439.922 4.953 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCc3ccc(Cl)nc3C2)nnc1C(C)(C)C 1740971704 UEINEIMVWQELNK-UHFFFAOYSA-N 437.975 4.800 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(OC(C)C)nc1 1743915301 CYCSWCWBJTVMIS-KNQAVFIVSA-N 432.572 4.646 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(CCC(C)C)CC1 1748918222 XVXLFAWCRRZHLK-UHFFFAOYSA-N 446.014 4.955 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(C)C)C1 1749024665 YDSAMCUPFVPGGA-SFHVURJKSA-N 434.556 4.785 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H]1CC=CCC1 1749109149 FBDWWFVUVFRVHS-GOSISDBHSA-N 440.389 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749355458 JLDBGRJEHGLVGT-RHGYRFJNSA-N 445.007 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1749370935 TYCXDWCJQBGDNH-UHFFFAOYSA-N 440.573 4.781 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cnc(C)s1 1749448758 BMVKSZLVIQIXJK-UHFFFAOYSA-N 435.956 4.732 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1(O)CCCCCC1 1749532733 XCPJSBSCSOEIIN-HSZRJFAPSA-N 449.599 4.669 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCCCC2)nc1 1749579351 MNQVODIUVUUYPR-UHFFFAOYSA-N 434.613 4.542 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC[C@@H]2C)cc1C 1751539575 BSEWXVCNEWTKSH-GHTZIAJQSA-N 434.588 4.714 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1760147038 FFQZDQGPWPTDOI-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](CC(C)C)N(C)C 1760162874 IQXRTSZTKXYXME-TZIWHRDSSA-N 446.039 4.734 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760276621 KAKYZOOMROJOGF-SJLPKXTDSA-N 433.021 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCC[C@H]1CC 1760339466 JLMBWEFWYXTIKY-HSZRJFAPSA-N 434.632 4.948 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)CC1 1760341647 NOECNNOMKLHRNF-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](OC)c2ccc(F)cc2)CC1 1760392895 DPFJLKBDYNPIBE-BHIFYINESA-N 442.579 4.880 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1760399064 XPWXTRDNTAUIAF-INIZCTEOSA-N 444.421 4.593 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCOCC2)CC1 1760399801 XGBUUTAWGYJKMS-UHFFFAOYSA-N 449.368 4.676 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760416862 OZAVCVKYFCMTQV-BRWVUGGUSA-N 444.542 4.567 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC2)CC1 1760422174 JAPLVBBOAZAELX-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1760433054 POKUFMAPJDVXCS-NHCUHLMSSA-N 439.604 4.890 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 1760471421 VFSZASMYFGRHPZ-MMOPVJDHSA-N 442.526 4.767 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CCCN1CCCCCC1=O 1760490751 INHXGCILGFQJEQ-UHFFFAOYSA-N 433.556 4.662 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(C)on1 1760499596 DDHFPSIAHCOMFF-UHFFFAOYSA-N 441.894 4.910 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 1760542731 JQHGNAXDOPFKJF-VDKIKQQVSA-N 438.616 4.734 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](COC)C1 1760560717 CRVDURWCQVNXCT-IRXDYDNUSA-N 432.659 4.523 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1 1760563782 CMOWKULQXMCQLR-HSZRJFAPSA-N 434.569 4.649 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)CC(C)(C)C1 1760569510 QMCIYJIMGBNRHZ-GOSISDBHSA-N 430.618 4.657 30 10 IJEE CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1 1765601176 CRCBNWTVRXFLJM-OAQYLSRUSA-N 448.615 4.528 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(C(F)(F)F)ccc1OCc1ccccc1 1772786131 AKBLFNIJMLHQOZ-UHFFFAOYSA-N 441.361 4.652 30 10 IJEE NC(=S)N/N=C\c1cn(-c2ccc(Oc3ccccc3)cc2)nc1-c1ccc(F)cc1 1857806678 HWVSWIZXDFETSH-WGARJPEWSA-N 431.496 4.638 30 10 IJEE N#Cc1cccc(NC(=O)CSc2nc(O)cc(-c3ccc(Cl)c(Cl)c3)n2)c1 1858513818 MHUDVRDTROVTTG-UHFFFAOYSA-N 431.304 4.758 30 10 IJEE Cc1ccc2c(C)c(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c(=O)oc2c1C 1859742070 PSWUAQSPQJVPSR-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862414498 AYOWKYWDZRFPLN-PGRDOPGGSA-N 441.474 4.846 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)cc1 1862507721 RVVPVVVKBOYGJI-QFIPXVFZSA-N 441.499 4.625 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862536794 HQRBSMOSXRYHJF-HSZRJFAPSA-N 447.531 4.947 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1F 1862736525 ZKUGJIAGJSIUMU-YFZFPPMRSA-N 438.455 4.891 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862759771 YAGSSTSFAGSRTH-SGTLLEGYSA-N 448.397 4.990 30 10 IJEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)c1C 1862939033 SAOFVSBLQFIIDF-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 1862952580 KJPAUZPKHSWVCN-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE Cc1cc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863092578 ANINHHGZSZKEDK-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)CC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863286135 NZIGLPGSICHSFL-UHFFFAOYSA-N 444.318 4.720 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCC(C)C)C1=O 1863526405 YEKRFNXXUKFUTA-UHFFFAOYSA-N 430.589 4.780 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1cccc(F)c1 1864830476 LEXLFHDVUPLJGK-FQEVSTJZSA-N 442.579 4.683 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(Cl)cc2)cc1 1867369257 IIYFCANTMGXPQW-XZOQPEGZSA-N 449.913 4.510 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1 1868727896 YDFAQZQZSGAYFK-ZEQKJWHPSA-N 440.534 4.972 30 10 IJEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(OC)cc2C)cc1 1870143892 GUTKVJXPIOFOKY-UHFFFAOYSA-N 433.512 4.667 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(F)c(Cl)c2)c(C(C)(C)C)c1 1870144420 BZBYBGIGLYDRHP-UHFFFAOYSA-N 441.894 4.555 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CSc1ncccn1 1870227039 CYBZMXITEHJXGC-UHFFFAOYSA-N 447.601 4.623 30 10 IJEE C=CCOc1cn(CCc2ccccc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870244414 ODKZOOQYIKDHSW-UHFFFAOYSA-N 431.561 4.966 30 10 IJEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCC[C@H](C)C1 1870452440 KWYVRKQNFVGXSY-NRFANRHFSA-N 434.621 4.773 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1870884694 MAWFBUJHQDKKAF-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(Cl)cc1 1870884981 ZAQVQVGTHODIFZ-UHFFFAOYSA-N 440.927 4.766 30 10 IJEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)c1 1871436436 YYWGPYQTATZEIY-ACMDDDSKSA-N 440.455 4.589 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cccs1 1872103620 ZIEWZCPMRCSXDO-FQEVSTJZSA-N 445.610 4.994 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N(CCCC)CCCC)ncnc2n1CCCOC 1873556566 XEOBLCIEPNNTBV-UHFFFAOYSA-N 441.620 4.689 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873647230 SSHLKTKNIQSEIG-QZTJIDSGSA-N 433.556 4.607 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(O)c1 1874214541 RJUNCOPAWFNGAM-HZHRSRAPSA-N 428.945 4.809 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccncc1 1874311227 FYTQSXVAYLRWHG-JVWAILMASA-N 447.539 4.781 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2[C@@H]2CCCO2)cc1 1874447716 KWPRZWCZFCXMEM-XAOCGEIJSA-N 449.580 4.613 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)nc2ccccc12 1874456154 DCDWZCYVDBMSAS-WSDLNYQXSA-N 436.566 4.821 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cccc(F)c1 1874475695 MWVVCTJIFUWAQG-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE C[C@@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 1874594646 VHLLOLBYEIEUKA-SPQRHKFCSA-N 430.460 4.747 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(F)cc1 1874611546 NSWACGGOHYMBGL-NTUHNPAUSA-N 435.451 4.757 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 1874742738 ZLNJKULCHIPXMJ-UHFFFAOYSA-N 429.520 4.713 30 10 IJEE C#C[C@@H]1CC12CCN(C(=O)Cc1cn(Cc3cc(OC)cc(OC)c3)c3ccccc13)CC2 1891888830 AJVRWBHUGUWLBV-JOCHJYFZSA-N 442.559 4.511 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)cc1I 1901924866 ATAQSCKXTKWTGZ-CQSZACIVSA-N 449.716 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 1922135476 ZSBHHOZLJSYBDU-QHCPKHFHSA-N 426.557 4.867 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 1950333483 UIWSUCDFNKWRDU-BUUDZMLXSA-N 427.589 4.739 30 10 IJEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1955667307 WCUWOEUDIVKMEO-CVDCTZTESA-N 441.553 4.836 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@H]2C1 1996795069 KSVCANOGNOYWKE-PFWHTEFJSA-N 427.545 4.967 30 10 IJEE C=C([C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 1997456904 UMGBTOLDNBSHTN-KNQAVFIVSA-N 442.522 4.927 30 10 IJEE CCCCCC#CC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 2024369182 CVPIADVWXLWZFV-XMMPIXPASA-N 429.649 4.965 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c(Cl)c1F 2041204800 YYYGUUODFVEHNG-CZUORRHYSA-N 433.749 4.809 30 10 IJEE C=CCC1(NC(=O)c2ccc(Br)s2)CCN(C(=O)OC(C)(C)C)CC1 2054382385 FIKSSOQXMFVDRO-UHFFFAOYSA-N 429.380 4.586 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2058347581 UEDIOGTULQFZBL-CZUORRHYSA-N 433.749 4.809 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)cc2Cl)NC)C1 2077089476 HTWVXSAIXZEUTH-MRXNPFEDSA-N 429.786 4.847 30 10 IJEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)cc3Br)c(C(F)F)nn2c1O 2081159876 QCVDBBCGFPMONT-UHFFFAOYSA-N 433.134 4.692 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)COCCN2C(=O)OC(C)(C)C)cc1 2081184271 CMYVYVGLCAOMPW-CYFREDJKSA-N 445.560 4.655 30 10 IJEE COc1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Br)ccc2c1Br 2086903942 MLPVZVNEHBXYAV-UHFFFAOYSA-N 441.956 4.673 30 10 IJEE CC1(C)OB(c2cnc(Oc3cc(F)cc(Cl)c3)c(Br)c2)OC1(C)C 2115994560 ACNMKVIDHMBRJK-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE Cc1cnc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2116080768 IEPSIDVCTCLKSW-YADHBBJMSA-N 436.405 4.509 30 10 IJEE N#C[C@]1(Nc2cccc(Br)c2)CN(Cc2ccccc2)C2(CCOCC2)C1 2156320188 OJCZLHOKBAGMDD-NRFANRHFSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(c1cc(Br)cc(F)c1C#N)C1CC1 2174812143 HNZUSGJXJPMTJP-OAHLLOKOSA-N 438.341 4.828 30 10 IJEE C#C[C@H]1CCCCN(C(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)C1 2180071269 PRLFVNSYBQSNPX-HNNXBMFYSA-N 435.362 4.980 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1cc(Br)ccc1C#N 2181055152 FSTCUDFAEUZSHX-UHFFFAOYSA-N 438.366 4.980 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224132278 OENRDKCSJIXOMQ-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1 2235720596 PSTNEAJYNKKWGD-SFGWALBWSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CC=CC1 2235725373 WSKPIVWHAMXKPL-LJQANCHMSA-N 433.390 4.782 30 10 IJEE C=CCN(CC[C@H](C#Cc1ccccc1Br)NCCC)C(=O)OC(C)(C)C 2235731762 XLNXMVSSCBIWFY-IBGZPJMESA-N 435.406 4.982 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2ccccc2Br)CC12CCCC2 2235740138 MUXJLVNFDQOHBH-PKOBYXMFSA-N 434.374 4.731 30 10 IJEE C#CC(C)(C)C[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404139 CIJKISVEMGZVRO-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2248084382 OONLOPWDBDEHTB-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)NCCC 2252730469 DZWZAWPPHUBLCX-XZOQPEGZSA-N 432.605 4.544 30 10 IJEE N[C@@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)o1 2264171738 DEJBIINTAAXZTK-NSHDSACASA-N 433.925 4.619 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc1 2266062216 NGZZQRUGGMCFAJ-INIZCTEOSA-N 439.365 4.710 30 10 IJEE CC[C@@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccc(Br)cc1)C(F)(F)F 2278733029 PIHZLLJUTLJYFN-QGZVFWFLSA-N 434.252 4.606 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(Cc1ccccc1)CC1CCCCC1 2285201656 XJUXJADVZZQGBH-UHFFFAOYSA-N 448.416 4.912 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(=O)C#Cc2ccccc2Br)(C(F)F)CC1 2289831123 MLOJAWNRGBKUCD-UHFFFAOYSA-N 442.300 4.652 30 10 IJEE CCN(CC)C(=O)c1sc(NC(=O)C=Cc2ccc(Br)cc2)c(C#N)c1C 2295422666 ZPALRTVEYDKVEE-UHFFFAOYSA-N 446.370 4.825 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccc(Br)cc1)C2 2296222609 TZQBEVUEHHMKIQ-UHFFFAOYSA-N 432.358 4.843 30 10 IJEE CCC[C@@]1([C@H](O)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296276855 MMYMTSUMRORPKG-DENIHFKCSA-N 436.390 4.979 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CC[C@@]1(C)NC(=O)OC(C)(C)C 2296307948 ARBJLSPYSZOAJS-STZQEDGTSA-N 435.406 4.862 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 2296565779 XFHWSIIVVATRSO-JOCHJYFZSA-N 446.503 4.915 30 10 IJEE O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 2296602881 DINJYWJZPNTPCV-UHFFFAOYSA-N 449.304 4.812 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 2296766440 OZMXIBDQKZBSHF-FQEVSTJZSA-N 446.484 4.833 30 10 IJEE CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nccs1 2314543229 YMZPLTFZWKXULL-UHFFFAOYSA-N 426.479 4.935 30 10 IJEE C[C@@H]1[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317335842 MWQUMYAGTROANL-VJXXYTJISA-N 430.354 4.503 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@H](COC(=O)C=Cc3ccc(Cl)cc3Cl)C2)c1 2321486509 NTQAYXJCHKGKFY-KRWDZBQOSA-N 443.330 4.974 30 10 IJEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1OCc1ccc([N+](=O)[O-])cc1 2322681113 UGLNTSPTWHYYGO-UHFFFAOYSA-N 447.443 4.850 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc(Br)c1OCCO 2323621357 PGBDOPOPDUKPBG-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1ccc(OC)c(OC)c1)C2=O)C(=O)O 2324778113 DBLXOIUBCJZKQJ-LJQANCHMSA-N 426.465 4.651 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)c1 2325513152 LQPAFTHXMCBGNA-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)o1 2325628214 PCDISLOVXLAJCF-UHFFFAOYSA-N 439.324 4.838 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)c1 2325707969 NJLKAUZDAMDTAT-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3OC)c2)c1 2325743931 UCBMFDQHOVJKFK-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1 2331300538 OGTAPPUEEBQKPY-UHFFFAOYSA-N 432.549 4.803 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccc1F 2331345316 DECSUEHLUUVNQP-UHFFFAOYSA-N 436.516 4.583 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)c(OC)c1 2331717341 ZUVQRCYTQFUBJP-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(Cl)c(Br)c1F)NC)C(=O)OC(C)(C)C 2337911500 FTXAOYALUOQCLE-AWEZNQCLSA-N 447.776 4.633 30 10 IJEE Cc1cc(C#N)c(Oc2cc(Br)cc(I)c2)nc1C 2338663507 WSXSEZWPCAPGAR-UHFFFAOYSA-N 429.055 4.730 30 10 IJEE C[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1Cc1ccccc1 2339574029 BKRRKRKCVLULID-LEWJYISDSA-N 433.405 4.825 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585775 UQOOCFOEYZPWNF-KOSVWKSTSA-N 443.397 4.832 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345723089 AXKANAFPUDODIK-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H](Nc1ccc(C#N)c(Br)c1F)C2 2358589430 CSVBMTQAPRNEDR-XPKDYRNWSA-N 438.341 4.907 30 10 IJEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1OC 20882699 LLQODXGOOJVYRN-TZIWHRDSSA-N 449.547 4.743 30 10 IJEE C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C 36306412 VSWJUMISZWCDQH-HSZRJFAPSA-N 449.595 4.962 30 10 IJEE Cc1nnc(/N=C2/S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)s1 39866563 KEIVXJFEGFKVCH-NIPZQEADSA-N 429.527 4.691 30 10 IJEE COC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)c2C)cc1 59105809 BDUGSFORYDAJIF-BKUYFWCQSA-N 449.507 4.911 30 10 IJEE CCN(CC)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)C)cc1 103223898 IIQGBKNQHCOHHF-FEYWKWKCSA-N 438.568 4.865 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)cc1 169979397 IEYUKUWGWBHOMJ-HSZRJFAPSA-N 449.503 4.723 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccn2)cc1Cl 169996441 AQAWJXKXWBGRDP-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccn1)c1cc2ccccc2o1 169998433 BDDOPMJCZUXCAR-QHCPKHFHSA-N 442.446 4.788 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2)c1 170047538 IGKBJGXBXHHURB-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc(O)c2)cc1 170080243 WZMNMWKHCVPNHG-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2C)cc1 170088743 XMIVTNUCQDPLDZ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)c1 170175403 ISTBRSSEQSSDBN-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)cc1Cl 170179272 GIOPAKREQXHHKI-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1Cl 170261819 ZNXUWAKFFDQORG-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266278 CECJNOGHLFGNKX-QHCPKHFHSA-N 447.487 4.638 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCN(C)C)cc1 170267175 HMSOKNLUGRGJIV-VWLOTQADSA-N 442.559 4.932 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 170325846 SYCCTMUNXGYQGI-XMMPIXPASA-N 443.499 4.989 30 10 IJEE C=CCC[C@H](NC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 489738410 CJHMALZOXZALMZ-MOPGFXCFSA-N 446.535 4.712 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccc2Cl)CCOCC1 517320668 IUWBXAUJMXPHMQ-UHFFFAOYSA-N 443.931 4.694 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccccc1C 519192883 VLJLOZBMFXBBSH-QGZVFWFLSA-N 444.564 4.949 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cc(OC)ccc2OC)cc1 526485657 GJTAGDORNBRTRW-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)cc1OC 526490437 XADULSPXXLNRNZ-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 554929573 CFULEJGBEXMWCT-IERDGZPVSA-N 440.931 4.541 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1C 586156022 IOJDMSFFFAOMIE-OXQOHEQNSA-N 432.973 4.990 30 10 IJEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cc(OC)ccc2OC)cc1 586241672 MRKSZBNYDALQGX-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3sc(-c4ccc(F)cc4)nc3C)cc2C1=O 591264954 QEBIDVSTIBTQOC-CYBMUJFWSA-N 449.507 4.531 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 598286740 LOIMCHJQSWXDDL-NRFANRHFSA-N 440.613 4.536 30 10 IJEE C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccncc1 645000846 YAKXZGVAIXWZNI-UHFFFAOYSA-N 444.442 4.887 30 10 IJEE C=C([C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC)C(F)(F)F 686824747 HVBGBQCRBPXGEH-LJQANCHMSA-N 441.538 4.643 30 10 IJEE C[C@H](CCC#N)SCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 695785322 BMSFMJFBHVKKRK-ZHRRBRCNSA-N 438.549 4.794 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ncc(Br)s1)NCCC 713689715 OSZOTSDUWAYSKM-KGLIPLIRSA-N 432.428 4.676 30 10 IJEE C#CCN(Cc1ccc(Br)cn1)[C@H]1CCOc2ccc(Br)cc21 733613600 DBXNPBTYBUYBJH-KRWDZBQOSA-N 436.147 4.566 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N([C@@H]3C[C@H]3C)C2=O)cc1 790001125 HHVOZRLZFGGSAY-IPHXSNPTSA-N 435.549 4.566 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 806256419 XQIHNISPFFPQIC-JOCHJYFZSA-N 429.495 4.763 30 10 IJEE COc1ccc(C=NNc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c(OC)c1 1084189921 DEQLFRYGJLQIJG-UHFFFAOYSA-N 438.340 4.867 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncc(CC)o2)nnc1-c1ccc(Cl)cc1Cl 1126831138 XQBWRZMWDNYKQF-UHFFFAOYSA-N 438.340 4.719 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 1128546126 HIMBKUVTMDENTB-IRXDYDNUSA-N 434.754 4.971 30 10 IJEE COc1ccc(-n2nnc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)C)C4)c2C)cc1 1129397543 HQXBLKDLOZBLMJ-HNNXBMFYSA-N 435.553 4.531 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cncc(OCC(F)(F)F)n2)c1 1130734952 HFCAQINGBDXFEX-UHFFFAOYSA-N 448.788 4.987 30 10 IJEE C#CCOc1ccc(CNC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1158446982 BAOGQJJJCIECMS-HXUWFJFHSA-N 434.536 4.634 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 1158669712 JLOZFEJHIWLKIR-BGOLNKOXSA-N 440.565 4.761 30 10 IJEE C=CCn1c(SCCOC2CCSCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164430851 SPGFIPDXCDGCLM-CQSZACIVSA-N 436.668 4.773 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2csnc2-c2cccc(C(F)(F)F)c2)c1 1209504453 MZWJOEBMONKAMX-UHFFFAOYSA-N 444.438 4.570 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 1214911813 GHKOLVZLHXHUGR-UHFFFAOYSA-N 432.568 4.765 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)C1 1252682403 DAEWEFIZIKWDNX-TZIWHRDSSA-N 425.573 4.578 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnn(CC(C)C)c1C)c1ccc2c(c1)OCO2 1264077792 QFHYFINEMYXYHD-UHFFFAOYSA-N 447.535 4.988 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)cc1OC 1273650814 FCBPILGZWJNNFE-UKTHLTGXSA-N 439.512 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)c1ccccc1 1286280437 ZPSCXFDCUIDAHD-LJQANCHMSA-N 433.625 4.870 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCS1 1286282488 QXAKIMDVCWKHNP-RDJZCZTQSA-N 433.419 4.760 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccc(F)c1)C(C)C 1286501151 NTJWCJXLHGSSNB-UHFFFAOYSA-N 443.979 4.914 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1286510185 LCUJUJDVJBRTBW-ROUUACIJSA-N 432.684 4.575 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286593661 SZMUJBBBJCIEBD-LJQANCHMSA-N 441.938 4.680 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(COC)CC1 1286623629 UUQDRTHPEQPAOS-UHFFFAOYSA-N 439.785 4.631 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1286634629 YTXCWYPBPOEJRF-NVXWUHKLSA-N 427.515 4.647 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)c2ccc(F)cc2)CC1 1286652945 NNUYCIPNBRQSOF-UHFFFAOYSA-N 441.595 4.716 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2CC(OCC)C2)CC1 1286664152 PVXRROUEZFXMOA-UHFFFAOYSA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286666326 BFCWVMQICFOWAU-KDURUIRLSA-N 446.039 4.746 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1286678622 BBPXTHZTDPAVRU-BJKOFHAPSA-N 431.584 4.629 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1 1286740698 UQHNUUCUDDPJCP-HSZRJFAPSA-N 449.624 4.751 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCc1sc(C)nc1C 1286741971 LZXXXVUKVZOISE-UHFFFAOYSA-N 432.597 4.926 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CC(F)(F)c1ccccc1 1286749756 YOEZOZSCGNHMAM-KRWDZBQOSA-N 430.524 4.828 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCSC2(C)C)C1 1286809080 ZQFCQZJBEXGEEW-AZUAARDMSA-N 447.048 4.835 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)c2ccc(F)cc2)C1 1286812839 UHCYMNZVSXJQSK-LAUBAEHRSA-N 426.561 4.655 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1286834948 MGGMZUPZXNUELG-FQEVSTJZSA-N 432.659 4.663 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1288483833 CLEWASHROKIJSK-QMHKHESXSA-N 433.537 4.576 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H](C)C#N)n1 1290317313 DRFXNTNYZGJTIH-YJBOKZPZSA-N 438.601 4.638 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1291639187 MVFNSHRGMZSQIP-VWLOTQADSA-N 426.532 4.625 30 10 IJEE CC#CCCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1295706095 MTUNUAMNYSISIG-AREMUKBSSA-N 438.527 4.796 30 10 IJEE COC1(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@H](C)CC#N)CCC(C)CC1 1299805820 FZRDFZBHWGCSLM-FAFRJYIDSA-N 448.571 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCc2cccnc21 1300273585 GDORNOSXJDZRLF-NSHGMRRFSA-N 433.531 4.530 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1Cc1ccc(Cl)s1 1300449152 NOOQYPLVFPLGBJ-UHFFFAOYSA-N 444.988 4.965 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1300743096 YKJVWFFIUYZLJY-WOJBJXKFSA-N 445.032 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCN1CCCC[C@@H]1CC 1300797948 IKWMIOUAVMFERF-YADARESESA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCN(C(C)C)C(C)C 1300807636 BHNMJUHMKNFWHU-XMMPIXPASA-N 428.024 4.633 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C 1300876033 PIDZUQKZLVMOCL-UYAOXDASSA-N 432.996 4.831 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1300975493 VQQGVBJROUBQSW-CDNPAEQRSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301158961 RBUKSTSYZKWZJB-IVAOSVALSA-N 430.637 4.947 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1301190461 SYIAAAUHDSBJDC-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301202477 KIKHCFVILYJOFJ-RLFYNMQTSA-N 442.457 4.679 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1301253437 ZDSLSSMOTKNSLZ-IBGZPJMESA-N 438.494 4.768 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)nc2)n1[C@@H]1C[C@H]1CF 1301334868 QMVJWCFGTXDSLX-PKOBYXMFSA-N 427.911 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)c1cccs1 1301379156 CDHMFCIDMGGBDW-JOCHJYFZSA-N 444.988 4.755 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CSc2ccccc21 1301415423 ULRHXFAYDXULRM-KRWDZBQOSA-N 441.988 4.522 30 10 IJEE N#Cc1cccc(NC(=O)CCN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1307539384 HREMBPGQHFKBEH-FQEVSTJZSA-N 445.350 4.687 30 10 IJEE C#C[C@H](NC(=O)NCCCCOc1ccc(Cl)cc1)c1ccc(Br)cc1 1311712596 AKKXUUPUACIPQJ-IBGZPJMESA-N 435.749 4.935 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)CC1 1313133685 UZYBDRFRHDZDGK-IZZNHLLZSA-N 433.596 4.709 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1314284617 GRQIKCQUVPIRFC-NHCUHLMSSA-N 441.645 4.990 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1352043215 JPCUIAIJMGDBBS-JOCHJYFZSA-N 426.532 4.691 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2cccc(OC)c2)c(C(=O)OCC)c1C 1353747079 YOKOCJSZAMMJFJ-CQSZACIVSA-N 445.537 4.717 30 10 IJEE C=CCc1cc(CNC(=O)C(F)(F)c2cc(Cl)ccc2OC)cc(OC)c1OC 1357245816 ANSUXVNLNYVFQS-UHFFFAOYSA-N 425.859 4.503 30 10 IJEE Cc1nc(NC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)sc1SCC#N 1357418050 FYENHXJOKSVYKP-UHFFFAOYSA-N 446.598 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1C[C@@H](C)O[C@H](C)C1 1358989230 UPVRWZMOCHAKKU-IAGOWNOFSA-N 445.394 4.918 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)[C@H](C)CC 1359004164 MGGRNRKFVMZAKM-BEFAXECRSA-N 433.394 4.537 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC1(CC)CCC1 1359017536 IPVYTKGGSNXGNN-UHFFFAOYSA-N 437.588 4.993 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1359123642 DQMKGWWQIOPQDP-GOTSBHOMSA-N 437.632 4.832 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2cccc(C)n2)CC1 1359159467 WZGZOJCRXAXENW-NRFANRHFSA-N 447.583 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccc2C)CC1 1359160825 FQZDLWLNGJKOAJ-UHFFFAOYSA-N 426.362 4.743 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](F)C2)CC1 1359165466 PNAXXDAYRXPFFY-AQNXPRMDSA-N 447.599 4.687 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2nc(C)cc2C)CC1 1359168850 LFFWXSRFSSHTLX-UHFFFAOYSA-N 440.979 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2csc(C)n2)nnc1[C@@]1(OCC)CCOC1 1359192988 UGEONQKYWRUTJL-AUSIDOKSSA-N 445.633 4.639 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=C(C(C)(C)C)CC1 1359203523 QPAIPGDPOHMLBK-UHFFFAOYSA-N 449.647 4.991 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359206127 VJKGFWMVLQPXHG-OAQYLSRUSA-N 438.551 4.699 30 10 IJEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)CC(C)(C)C1 1359229627 OWKADPXSUIZRFJ-HXUWFJFHSA-N 426.605 4.939 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(OC(C)(C)C)nc1 1359231790 GDZRBPRZGDSAET-UHFFFAOYSA-N 431.584 4.991 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](OC)c2ccc(Cl)cc2)C1 1359324462 LLWBFVYSMNEGDO-FCHUYYIVSA-N 445.007 4.833 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCSC(C)(C)C1 1359345873 TUNVTNLFORIEQU-UHFFFAOYSA-N 432.659 4.725 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 1436648413 KJHSSPJYOZOHST-MOPGFXCFSA-N 435.738 4.742 30 10 IJEE CC(=O)N[C@@H](C(=O)Nc1ccccc1C#Cc1ccccc1)c1cccc(Br)c1 1457492296 PWRKPNMNMSJJLA-HSZRJFAPSA-N 447.332 4.665 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccccc3F)C2=O)nc2cc(Cl)ccc2c1=O 1458738464 YRKRCOQYYMHBEG-LJQANCHMSA-N 443.931 4.663 30 10 IJEE CC[C@](C)(O)CN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccccc1 1459958495 FTWAPHYIGHJNAF-BVZFJXPGSA-N 439.625 4.736 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](c2ccc(C)o2)C(F)(F)F)nnc1-c1ccco1 1461198416 NRHRTLUHNPMURC-INIZCTEOSA-N 440.447 4.528 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1 1462503453 JXOXNXZFOOJAQA-RDPSFJRHSA-N 440.609 4.935 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 1464535644 AXVXOUFNCLNEIK-CQSZACIVSA-N 440.412 4.805 30 10 IJEE Cc1ccc(CC2CCN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1C 1469755790 GVMOAKVYAJPCIO-UHFFFAOYSA-N 441.579 4.740 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1OC 1474200632 QQUADTWRWUVLJO-CVEARBPZSA-N 440.378 4.623 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)c1nccs1 1507748568 OZRXIBIQTYNRCH-MRXNPFEDSA-N 437.594 4.754 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1507838086 ZHWNAGXHBVPDIX-GOTSBHOMSA-N 448.615 4.530 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1507868312 HQPCOZIGTZIRLN-UHFFFAOYSA-N 432.996 4.979 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCN(C)C(C)C)CC1 1507880174 HTFXAGUNBSFXHO-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOCC(C)C)CC1 1507880819 NBQPUZJANCYPNU-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2ccnc2C)CC1 1507908769 DSIPFBIHJQLTFQ-UHFFFAOYSA-N 434.588 4.553 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(C)=O)C1 1507925848 KAJNNCQFKNRQBC-KRWDZBQOSA-N 436.387 4.713 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1507936007 WWGMFNBLVXLUSY-UHFFFAOYSA-N 427.637 4.767 30 10 IJEE C=CCCCCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1507937247 OLKSWBBQBRCQED-JOCHJYFZSA-N 449.643 4.798 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2ccccn2)CC1 1507944129 OWIGUHBLESYIHO-JOCHJYFZSA-N 446.599 4.723 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(OC(C)C)nc1 1508007133 SNJUSCNLOIQNSA-UHFFFAOYSA-N 448.596 4.768 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCC1 1508023994 GTPOKTCANGMPRD-UHFFFAOYSA-N 437.632 4.504 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(CC)C1 1508026776 WOUPWVQRHYJEJC-LJQANCHMSA-N 439.991 4.768 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(SC)CC2)C1 1508118015 TXUHFLGSPJKGDO-OAHLLOKOSA-N 439.412 4.929 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC(c2cnn(CC)c2)CC1 1508157314 DGMBGCUOMMEIAE-UHFFFAOYSA-N 436.629 4.773 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(OCC(F)(F)F)c1 1508421939 DQHZWBNDOFVAET-MRXNPFEDSA-N 435.494 4.596 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1 1515902690 RCNUFVFHGYKUSD-KRWDZBQOSA-N 446.638 4.958 30 10 IJEE C=CCOc1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1 1523595995 AQUWFFZJGYXHHD-UHFFFAOYSA-N 436.552 4.798 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)cc1 1523871715 WBZNDWLJDAPXHO-UHFFFAOYSA-N 437.471 4.765 30 10 IJEE C=CCN(C(=O)c1cc(Br)c(C)cc1C)[C@H](Cc1ccccc1)C(=O)OCC 1529015088 RHTQUCNILMAGMY-OAQYLSRUSA-N 444.369 4.869 30 10 IJEE CCOC(=O)N1[C@H](C(=O)Nc2cccc(C#N)c2Br)CC[C@H]1c1ccc(C)o1 1529123949 GOUWXAACAFPAIR-HOTGVXAUSA-N 446.301 4.523 30 10 IJEE C=C[C@@H](CC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1)c1ccccc1 1529560994 BHRLKKBUGOJNGT-ORYQWCPZSA-N 442.353 4.524 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 1531516590 VGVPPVDTMHNEEE-UHFFFAOYSA-N 446.572 4.657 30 10 IJEE C#Cc1ccc(C(=O)Nc2ccccc2Oc2cccc(I)c2)nc1 1535877178 JTCJRYHPMPKUBM-UHFFFAOYSA-N 440.240 4.712 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1OC 1537411102 LQKYUEIHYOZZAG-DSTADIGBSA-N 427.928 4.915 30 10 IJEE CC[C@H](C#N)N(CC)C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1538447396 HBEMMHKBLJQGMS-GOEBONIOSA-N 440.594 4.836 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCSCC(F)(F)F 1538971043 FHFQCUJOMAXGEJ-UONOGXRCSA-N 446.926 4.825 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(C)(C)C)cs1 1539300738 GPRHKCMDLZQJDV-UHFFFAOYSA-N 438.000 4.864 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncc(CC)s2)CC1 1539874671 IQNGDOFBQJWXNN-UHFFFAOYSA-N 447.406 4.505 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1539902196 AVTOBZOXGRTTFM-LJQANCHMSA-N 439.652 4.942 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1539968293 SRTYBZHEYRYLDC-UHFFFAOYSA-N 438.469 4.712 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1539991063 DAFGGPGEYWNWRW-SFHVURJKSA-N 443.567 4.792 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540013346 OKHMHCYLQAQMNQ-VXKWHMMOSA-N 437.632 4.928 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](CC)C1 1540019385 ALCULPAGWVMFST-ROUUACIJSA-N 435.638 4.648 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCC1CCC(OC)CC1 1540136337 GTLHOMJLSYNURW-NJEKYYFSSA-N 442.579 4.709 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1cccc(C(F)(F)F)c1 1540853190 QREHFNDMZXSSRM-UHFFFAOYSA-N 436.503 4.636 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCc2sccc2[C@@H]1CC 1540919286 MJBMTDBIMQKOFZ-IBGZPJMESA-N 425.627 4.758 30 10 IJEE C#CCOc1ccccc1CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1543729421 VQTVBTFYIYBNKE-LJQANCHMSA-N 434.536 4.634 30 10 IJEE CCc1ccc(Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@@](F)(C#N)C2)s1 1546257551 DLHXOGYMSDYGGA-JOCHJYFZSA-N 441.601 4.993 30 10 IJEE Cc1c(Br)cccc1C[C@@H](CO)CNc1ccc(C#N)c(Br)c1 1559189958 HBTKTIPBVPSKKW-CYBMUJFWSA-N 438.163 4.655 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)C1 1564126228 FJMOYCRUCHBELJ-QGZVFWFLSA-N 432.351 4.683 30 10 IJEE C=C[C@@H](C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1)c1ccccc1 1569420562 UCZQATNVYPQPBV-FXAWDEMLSA-N 431.317 4.652 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 1583135703 YNARNTFETLCYKM-UHFFFAOYSA-N 443.337 4.911 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)c1ccccc1 1583544156 TZKAULNXNSYHJT-OAQYLSRUSA-N 432.973 4.562 30 10 IJEE C=C[C@H](C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[C@H](C)CC)c1ccccc1 1585704628 JLAWZPHCIXONOO-QGUKFAFCSA-N 432.608 4.968 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1587936976 DNQCKKOHKIDASX-ICSRJNTNSA-N 445.405 4.537 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCO[C@H](C)C1 1588204998 ALICAAZJRUNNBE-PKTZIBPZSA-N 448.611 4.648 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2cccc(OC)c2)CC1 1593735947 VFDIHEQFPZCVII-UHFFFAOYSA-N 447.583 4.634 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)c2ccccn2)CC1 1594023003 BNDXSHWPISNWIM-UHFFFAOYSA-N 441.377 4.565 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1594181110 IQEZIRBINQPTCW-HXUWFJFHSA-N 435.616 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCOC(C)C)CC1 1594202268 JPBUPANBJRBRFT-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1594793115 GMWONKUQJHWVPS-INIZCTEOSA-N 428.886 4.970 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCc1cccc(C)n1 1594907220 QRAAHVRJOQJXKO-UHFFFAOYSA-N 440.389 4.974 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1595065021 GUEDNJNOYFYHTI-OAHLLOKOSA-N 425.508 4.560 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCC1(F)F 1595260011 FTJQKWDAANTPDG-OALUTQOASA-N 434.531 4.826 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(CC)c1 1595319572 YWAIMSVYQHFWNO-KRWDZBQOSA-N 428.968 4.727 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(c2cccc(OC)c2)CC1 1595890566 YQWBTBKFXYXHRS-UHFFFAOYSA-N 449.624 4.576 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCCCC1 1611319257 DKHWTIRLTWYKID-MRXNPFEDSA-N 434.009 4.657 30 10 IJEE C#Cc1ccc(NC(=O)CCN2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)cc1 1615576874 CHTZTMKQQUCXEP-LOSJGSFVSA-N 447.579 4.508 30 10 IJEE COCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)C[C@H](C)C#N)CCCCC1 1619645397 FGYDIXNUDCZODJ-QGZVFWFLSA-N 445.995 4.800 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)c1 1621853393 BLUHOMAGCMNNHR-LJQANCHMSA-N 434.561 4.651 30 10 IJEE CCOC(=O)C[C@](C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)C 1622896350 CJPFGRRRFDXUJD-VWLOTQADSA-N 437.540 4.821 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1629651360 ABKJTQYGOUTOSF-QGZVFWFLSA-N 440.531 4.618 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(Cc1ccc(OC)c(OC)c1)C1CCCCC1 1631792729 QHFWJWSGQFIQIG-UHFFFAOYSA-N 436.552 4.760 30 10 IJEE CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 1633939950 CZRKTRBIDXTODF-ZEQRLZLVSA-N 430.552 4.554 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1634415782 QNMKHKQAVBEXNN-JKSUJKDBSA-N 442.478 4.836 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)C(=O)OCC 1636837452 AJBJVEBLGPYJBW-LJQANCHMSA-N 431.916 4.555 30 10 IJEE C#C[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2nc1O)c1ccc(Br)cc1 1637663310 PMRFKGLIXXQBDS-MRXNPFEDSA-N 449.226 4.826 30 10 IJEE C[C@H](NC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F)[C@@H](C)c1ccccc1C(F)(F)F 1638491018 CUQPPZNNXBOXBF-FTLABTOESA-N 436.371 4.869 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCSC2(CCC2)C1)[C@H]1CCOc2ccc(Br)cc21 1638809520 LNGKTAVUEOXHDU-AEFFLSMTSA-N 449.414 4.736 30 10 IJEE CC[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NCc1cccs1 1639962532 BIXBGCJHXYXOIX-IBGZPJMESA-N 435.574 4.596 30 10 IJEE C[C@@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N(CCC#N)c1ccccc1 1642829518 DZFGFXKKJMOVPC-VFNWGFHPSA-N 444.348 4.964 30 10 IJEE COc1ccc(OC)c(NC(=O)CN(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 1644857932 BHKLVOYMDVBPQW-UHFFFAOYSA-N 433.483 4.668 30 10 IJEE C#Cc1cccc(N(CC)CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)c1 1644927260 GPAUZOMHGCZIKN-HHHXNRCGSA-N 437.543 4.881 30 10 IJEE C=CCCOCCCCC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1nc(C(C)(C)C)cs1)C2 1648042594 NUANNTFZMHIKBE-OALUTQOASA-N 434.646 4.631 30 10 IJEE C=CCn1c(SCOC2CCOCC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1651535410 AQXPGLTUQLHTKR-UHFFFAOYSA-N 428.579 4.865 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1653341542 ZJECZLWYTYMNRN-JOCHJYFZSA-N 426.582 4.929 30 10 IJEE C#CCN(C(=O)Nc1cccc(N2CCCCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1658659017 ILZQJUUQBZVZBB-UHFFFAOYSA-N 440.588 4.544 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1 1659230763 YPTHHJZDVUBSMB-UHFFFAOYSA-N 435.524 4.708 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(CN(C)C[C@H](O)c2cccc(C#N)c2)cs1 1659322382 PVRGJLYFVCVDFL-NRFANRHFSA-N 440.956 4.518 30 10 IJEE C#CCC1(NC[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCOCC1 1660224272 OFKJDQOCRDRMRH-QFIPXVFZSA-N 448.390 4.622 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nc(C(C)=O)c(C)s1 1670175446 UVDZAHUBIFCSKE-UHFFFAOYSA-N 426.311 4.776 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1)c1ccc(Cl)cc1 1670741821 DXROQQGPGWKWFG-HNNXBMFYSA-N 439.668 4.524 30 10 IJEE C=CCC[C@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1ccc(C(F)(F)F)cc1 1670827026 RULHBSSBFQMREA-NRFANRHFSA-N 434.506 4.881 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)ccc1OC(F)(F)F 1671271627 AAHFMYODJHNAOU-IBGZPJMESA-N 433.430 4.872 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(N(C)C)n2nc(C)cc2n1)c1ccc(C(F)(F)F)cc1 1671937343 IRVDZUSLMGLFTL-KRWDZBQOSA-N 446.477 4.952 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CC1 1675271821 OPEJUTWCAJQSOM-DNVFCKCGSA-N 445.563 4.808 30 10 IJEE C#CCOc1ccccc1CNC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC 1676068588 KVMBHNBGFHHNKZ-OAQYLSRUSA-N 447.501 4.600 30 10 IJEE CC1CCN([C@H](CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c2ccccc2)CC1 1677172307 HFWQHMBMIHFHRO-UODIDJSMSA-N 430.596 4.941 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(NC(=O)CC(C)C)c1)c1ccc(Br)cc1 1683172412 JOUSXMXOBSUNHX-HXUWFJFHSA-N 442.357 4.607 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)NCC2(Sc3ccccc3)CCCC2)CC1 1683974017 IBJGDEIBZZBNJS-UHFFFAOYSA-N 434.609 4.885 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 1685763994 NOSVLTOPBVVARU-PKTZIBPZSA-N 433.552 4.585 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)c1ccccc1 1687449643 IBDUEIBIONMTLS-HSZRJFAPSA-N 439.625 4.926 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCO[C@@H]1CCCC[C@@H]1C 1690009212 YAHXSUQYTNZTPX-LAUBAEHRSA-N 445.394 4.920 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1690243104 HJIPXCKPEQVQHP-LQWHRVPQSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1oc(CC)nc1C 1690256079 CCHWKTKINKDENN-KRWDZBQOSA-N 427.524 4.867 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1690364168 LAUBXKMKCMOJII-OFNKIYASSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1690404462 DZLDFSAMOTWBPB-UHFFFAOYSA-N 447.583 4.779 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](CCC)C1 1690735629 DICCDSZHAPMSKZ-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1690735853 KRCZQWQNDDJSRH-PKTZIBPZSA-N 440.657 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCn1nc(C)cc1C 1705502587 HJLHZCMVYMQQTJ-FQEVSTJZSA-N 448.615 4.516 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@H]1C(C)C 1705611947 UAVFJZAYEXUPLY-OFNKIYASSA-N 433.556 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccsc1Br 1705715787 PRTITPSDHDNQAQ-OAHLLOKOSA-N 425.396 4.794 30 10 IJEE C=C(Cl)Cn1c(C(C)C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1705747798 VSQFPWCUHPPJAH-OAHLLOKOSA-N 447.958 4.625 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(CCC(C)C)CC2)CC1 1705765927 HMCOCEMQYQDGCV-UHFFFAOYSA-N 437.632 4.868 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCN2CCCCC2)CC1 1705771659 AXKQGKAYZFVKSL-UHFFFAOYSA-N 425.646 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCOCC1 1705786404 NFGPWZRYXVVXHY-UHFFFAOYSA-N 436.398 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1705794795 UDKXHJVTNAYQIX-QFIPXVFZSA-N 449.599 4.584 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705801204 XCPZVGJGQMQOIZ-MRXNPFEDSA-N 445.970 4.589 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1705877426 GZYMMMFCCBQNSK-LJQANCHMSA-N 427.593 4.550 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1705893640 CSPGHKSAAWMEQA-SQNIBIBYSA-N 435.638 4.647 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1705948553 XBQGXLLQLFHZQV-LJQANCHMSA-N 444.649 4.820 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@](C)(O)c1cccs1 1706288403 AZUAIUCNTLYMSY-DEOSSOPVSA-N 433.581 4.536 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1722339120 WPLYPBRFFYFTEJ-DHIUTWEWSA-N 436.600 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCCN1CCC[C@@H](C)C1 1722394332 VCGKTIVGCYBVPY-OAQYLSRUSA-N 438.019 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](SC)C(C)(C)C 1722469525 GUNBUZIVMYDXRG-XMSQKQJNSA-N 427.574 4.623 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCCCc1ccccc1 1722506488 MTCMCJWYCPEUHR-ISKFKSNPSA-N 433.600 4.724 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722531431 RVQMNDHAZUWGTN-RUZDIDTESA-N 438.572 4.925 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N(C)CC1CC(F)(F)C1 1722557627 RRSWGOLDEOMQLZ-UHFFFAOYSA-N 428.936 4.813 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCCC1 1722861896 DQFJTVKJSPQIJV-RTBURBONSA-N 440.661 4.603 30 10 IJEE CC(C)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1723095757 BVFBNYYODBWBME-UHFFFAOYSA-N 438.595 4.955 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2nc(C)c(C)s2)cc1 1724450350 DBOIJNYNFSBQCA-HNNXBMFYSA-N 426.615 4.596 30 10 IJEE CCc1ccc(Cn2c(C(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)s1 1727399311 CMRADOJSBWQKDB-UHFFFAOYSA-N 434.613 4.662 30 10 IJEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(C)(C)C)cs1 1729385754 FFDRVGKKVIZDRI-UHFFFAOYSA-N 434.491 4.618 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740576918 LSGLGPHCLATRNF-AREMUKBSSA-N 438.616 4.517 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1ncc(C)s1 1740666351 MAALGBOYAJYYSQ-CQSZACIVSA-N 444.402 4.736 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21 1740679416 YDXZKPVZJRDPSZ-OAQYLSRUSA-N 448.590 4.728 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1Cc1oc(CCC)nc1C 1740733383 BWNPTOHVSGNODM-AREMUKBSSA-N 447.583 4.763 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCOC1 1740733507 HASJFOJZAHDRRN-QFQXNSOFSA-N 436.600 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(Cc1ccc(F)cc1)C(C)C 1740757563 PQAWPJMSHYNWGI-OFNKIYASSA-N 435.547 4.875 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1740828321 GELYVEFSPLCPKM-UHFFFAOYSA-N 446.523 4.745 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740865664 PYFCKWKDABOQQF-RBUKOAKNSA-N 430.980 4.730 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@H](C)C1 1740915063 SYAIZABVWYIACM-RTWAWAEBSA-N 444.583 4.553 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C)s1 1740971193 JVOHGXFXXSWAHT-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCSC2(C)C)C1 1740977319 FYQUMPBFXZSBTO-IRXDYDNUSA-N 433.021 4.912 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2cccs2)C1 1745681288 FYKWQWZWTSXFSR-QUCCMNQESA-N 434.613 4.808 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1CC(C)(C)C1 1748833015 FVOMOMIIMXMHLX-UHFFFAOYSA-N 445.792 4.870 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H](C)N1CCCCC1 1748918224 XWYPPIINKJEBLY-QGZVFWFLSA-N 434.415 4.976 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(CC)CC)cc1 1748938853 GJFXFOFBZIXPSY-DHIUTWEWSA-N 437.632 4.551 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1749027108 LERGWWYOMWLBRX-VXKWHMMOSA-N 438.641 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1749071576 JMNBNGNSYWZOSW-MVOZIGHISA-N 447.671 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCc1ccc(F)c(F)c1F 1749163989 WGIKQKVZPTXCQM-UHFFFAOYSA-N 435.519 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CC1CC2(CCOCC2)C1 1749170234 CMBILRGNTCZIGJ-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCCCn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749439936 NLWIQPVZSKIXBP-QRVBRYPASA-N 441.576 4.602 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1749582208 DVBSKDBUPUBIBF-HXUWFJFHSA-N 441.620 4.892 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)C(C)C 1749586284 OMLJQOGBDTZDEB-QHCPKHFHSA-N 428.964 4.834 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cc(Br)cs1 1760147516 AADNWYHOCSCFTG-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn2ccc(C)cc2n1 1760329615 FZINGGUWDJDLPU-IBGZPJMESA-N 448.546 4.964 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)c1ccc(C)cc1 1760330270 WWJBFKPCQRUVJV-SQJMNOBHSA-N 426.605 4.833 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760359267 DCOKPQWJXVZUEY-SIKLNZKXSA-N 449.426 4.676 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760376621 XIUIHUZYGBZYOT-QAPCUYQASA-N 429.754 4.781 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760399236 FFZVPAVNWLCLTQ-IQGLISFBSA-N 442.604 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760415785 KWUHBBZNKGSJOH-IBGZPJMESA-N 428.552 4.655 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1760422460 MVYOTFOMOQXPLD-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760435037 VMKUYSWCNSWYNI-BLLLJJGKSA-N 432.849 4.860 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCN(C)C1CCCCC1 1760454439 JOLICRLDLTTXDB-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H](C)CC#N 1762845352 DCEINYNKCHHDAP-HLIPFELVSA-N 447.530 4.880 30 10 IJEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1)OC 1763865615 IENFFTIJGWBIOK-IFMALSPDSA-N 449.555 4.713 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(C)C)C1 1768377581 FIXPGEABZPMOOQ-JOCHJYFZSA-N 440.661 4.659 30 10 IJEE COc1ccc(/C=C2\SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1OC 1772758129 PEPIZIWAXIWOSU-KGXKECERSA-N 447.516 4.803 30 10 IJEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)c2cccc(C#N)c2)c(C)c1 1858720746 PPLZISVMHJXAAY-GOSISDBHSA-N 428.492 4.537 30 10 IJEE CCOc1cc(OCC)cc(C(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)c1 1859036588 NEIBSHYDJDPRBQ-UHFFFAOYSA-N 444.487 4.505 30 10 IJEE N#Cc1cccc(C(=O)OC[C@H]2CCCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)C2)c1 1860072007 WKFDXDWFBFLGGR-LKUPDRCFSA-N 443.330 4.974 30 10 IJEE COc1ccc(NC(=O)C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 1860728947 YWQQMKQKQWJWBU-UKTHLTGXSA-N 447.487 4.512 30 10 IJEE CCOc1ccccc1OCCSc1nc(O)c(C#N)c(-c2ccccc2Cl)n1 1860825188 RMMYTCCERWECCV-UHFFFAOYSA-N 427.913 4.944 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861246873 OGDORQIKNNEVLO-HSZRJFAPSA-N 447.664 4.906 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 1861426459 BMLNPKJNTIRISO-QGZVFWFLSA-N 438.547 4.964 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861762343 JSPLHMLVWDMYEE-OBGWFSINSA-N 430.589 4.638 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1862433834 MOLZSLHIVSFTNB-IBGZPJMESA-N 427.884 4.663 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(=O)OC)cc1 1862434595 CHMKXEIPIAAGRO-HXUWFJFHSA-N 441.911 4.895 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc(Cl)c1)c1ccc(Br)cc1 1862470271 JPONPSMNWUVQIN-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OC)cc1 1862525214 XCYCVUNKWMATOF-IBGZPJMESA-N 444.325 4.836 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2c(Cl)cccc2Cl)cc1 1862538124 DLCRVEOVPSTMTD-IBGZPJMESA-N 434.319 4.781 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 1862593146 DBGKHERFTQTPBF-NRFANRHFSA-N 436.464 4.602 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc2c(c1)OCO2 1862628290 XRSVOMZARKZASE-HSZRJFAPSA-N 444.487 4.808 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(Cl)cccc1Cl 1862633313 JPBHLWXTWVZENH-SFHVURJKSA-N 434.275 4.709 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 1862716032 WQQKWYSJHQESOS-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(F)c2)cc1 1862736268 WRNBONGBVACMAS-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCCCCCCOc1cn(CCC)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870408771 ANOLTQIKRBLJFA-UHFFFAOYSA-N 425.617 4.930 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCCCCC1 1870630576 VKSJYLCDOMOIQV-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)c(OC)c(OC)c2)C3=O)C1 1871352551 PLNHJWNXJWFONA-OCKHKDLRSA-N 439.508 4.589 30 10 IJEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871384388 YNIUQUQEWKIBJX-HMAPJEAMSA-N 445.427 4.894 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871422251 HTTZWTIDKJLIFE-QRVIBDJDSA-N 427.456 4.831 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871491162 STJJGLLROYZEHA-UHFFFAOYSA-N 439.007 4.902 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871808487 KSFQHVIWSRILEK-LIRRHRJNSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871874360 QXGGNWWFOKVNPV-FOIQADDNSA-N 438.952 4.709 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872152132 SEBYGDOBEAGPHH-AVRDEDQJSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872441780 SRPBQYOYDGVHGO-HTAPYJJXSA-N 432.561 4.754 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872549976 LNHNXWDWZNMEGB-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE CC(C)(C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 1872766804 PHKDYXGENPHULG-SFHVURJKSA-N 429.501 4.695 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C 1872782418 JKAOBKFMHMMUNE-RTWAWAEBSA-N 429.545 4.652 30 10 IJEE COCCn1cc(/C=N/n2c(C)nnc2SCc2ccccc2C)c2cc(OC)ccc21 1873501408 UXLRRQYTSFYZMS-AFUMVMLFSA-N 449.580 4.679 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(OC)c1 1874216027 GWQSKVJMGVEKBL-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874273330 FJRUVGRELPLEPI-PTZPRWATSA-N 427.618 4.684 30 10 IJEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1874302894 WBSWINIIXCVDAM-LPYMAVHISA-N 445.932 4.823 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccn1C 1874312551 AAUQVNQRQBBHMR-WGOQTCKBSA-N 449.555 4.724 30 10 IJEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccncc1 1874353088 QBMFGBHECJIYRS-CVKSISIWSA-N 429.549 4.873 30 10 IJEE COc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1O 1874403253 XALGTJJDGLDMQO-YZSQISJMSA-N 444.560 4.952 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1/N=C/c1cccs1)Nc1ccccc1 1874415408 OISONFORDGFZFI-HZHRSRAPSA-N 433.562 4.543 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccncc2)c1 1874426669 TWLWVUDHOBWQCQ-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(F)cc1 1874436609 JHPQHQDFAMEXCX-DHRITJCHSA-N 443.523 4.758 30 10 IJEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874489390 PFWIRZFPMQKYAG-LPYMAVHISA-N 425.514 4.568 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CCC)nnc1SCc1ccc(C(=O)OC)o1 1874507163 OMVCSILAXGSCTF-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE Fc1ccc(COc2ccc(/C=N/n3c(S)nnc3CCc3ccccc3)cc2)cc1 1874560517 AYRKPEQBWDOVPA-WGOQTCKBSA-N 432.524 4.952 30 10 IJEE CCOc1ccc(CCc2nnc(S)n2/N=C/c2cccc3ccccc23)cc1OC 1874569219 MUMKLYFTDLHODA-PCLIKHOPSA-N 432.549 4.795 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 1874602729 BBWQGEXNIGWRPV-UKTHLTGXSA-N 425.525 4.627 30 10 IJEE COc1ccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707772 WIELZZZZSZFCHX-KPKJPENVSA-N 430.456 4.858 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(NC(C)=O)cc2)CSc2nnc(CC)n21 1874834056 VQRAIPFARFYCFV-HXUWFJFHSA-N 443.617 4.861 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1 1875192898 JHLDXNZZDHVUSJ-QPJJXVBHSA-N 438.823 4.767 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccccc2COc2ccccc2)c1 1891707530 PVEXXBKVUHOEPV-UHFFFAOYSA-N 442.559 4.924 30 10 IJEE C#CC[C@H](C)CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892911398 FGOZDIBYSXPHDL-SBUREZEXSA-N 437.561 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1922134548 UEGHHCMFRXZLRO-QDSKXPNFSA-N 441.568 4.619 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1 1964773765 UDZABTITFFUIJJ-UHFFFAOYSA-N 429.399 4.583 30 10 IJEE CC(C)CN(CCC#N)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984695935 UXYLOVXWZMCBBM-RUZDIDTESA-N 447.579 4.948 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997456983 UTYCTCFDCDSHTK-BKMJKUGQSA-N 428.617 4.858 30 10 IJEE CCOC(=O)c1c(C(C)(C)C)nn(-c2nc(C(F)(F)F)ccc2F)c1C(F)(F)F 2078897447 BUYDEAFSLQKKGX-UHFFFAOYSA-N 427.320 4.918 30 10 IJEE Cc1csc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)c1Br 2107455945 KKIRRUVCWTYAEN-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(C#N)c2)C[C@@H]1CC(F)(F)F 2176104084 UWSHCPOMJROQJF-HNNXBMFYSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1 2180911829 GOKTZTPJWMTTOJ-KBPBESRZSA-N 436.350 4.590 30 10 IJEE C[C@@H](C1CC1)N(CCC#N)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2181044694 CLCWILRWBGIZEQ-ZDUSSCGKSA-N 436.350 4.950 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1(C)C 2186199533 CQQDVGVCYJMQDK-XJKSGUPXSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@H](O)CC#C[Si](C)(C)C 2229105825 YXRPMIMOPLUBKC-ZWKOTPCHSA-N 440.454 4.517 30 10 IJEE O[C@H](C#Cc1ccc(Cl)cc1)c1cc(I)ccc1Br 2231075571 DQJPTRQPUNRGMF-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2247977653 AZZANYGJYSPXCT-FOIQADDNSA-N 449.514 4.961 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2260842890 FCERTWRCJFJYFT-SBFWRKJZSA-N 444.616 4.542 30 10 IJEE CC1(C)OB([C@H]2C[C@H](C(=O)N3[C@H]4CCC[C@H]3CN(Cc3ccccc3)CC4)C2)OC1(C)C 2267122475 LQGQSNOYVUNUCL-MLCQCVOFSA-N 438.421 4.514 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282697805 VYRYEBFQIQDZSQ-QFIPXVFZSA-N 449.400 4.504 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cc(OC)ccc2OC)C1=O 2293531968 IOJASGTWNFTCIB-UHFFFAOYSA-N 445.924 4.901 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2296218345 CZXKAWCFPPJALU-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1cccc(F)c1I 2296223561 BGEDBPOFLQHPHD-OAHLLOKOSA-N 444.085 4.505 30 10 IJEE CC(C)[C@@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1cccc(Br)c1)C(F)(F)F 2296225023 QDWULOSWSUFWHZ-GOSISDBHSA-N 448.279 4.852 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1c(F)cccc1I 2296228870 DESCXVYHDBDRMU-HNNXBMFYSA-N 444.085 4.505 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CC[C@H](NC(=O)OC(C)(C)C)C1 2296301280 SFAFDRSKFCOTFJ-JQVVWYNYSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C 2296304934 MXSMJTHCTTUUTE-NSISKUIASA-N 435.406 4.814 30 10 IJEE C=CCN1C(=O)C(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 2297303068 VYGCCIQMFBUYTJ-UHFFFAOYSA-N 443.462 4.683 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2303929082 ABNHBLOSLBWSET-YWZLYKJASA-N 447.498 4.858 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 2305321648 FOLDOQWFFRKXLB-CPJSRVTESA-N 430.589 4.849 30 10 IJEE O=C1Nc2ccccc2C1=C1SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 2314548827 XDXCLDRKLUAOPQ-UHFFFAOYSA-N 441.468 4.516 30 10 IJEE C[C@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2317355113 VAJKFZQUUMMJPP-QGZVFWFLSA-N 432.370 4.751 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc2ccccc12 2320955981 XDQGBUFEDSHCDM-UHFFFAOYSA-N 433.512 4.746 30 10 IJEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(OC)c1)C3=O 2322145511 BWNSGVOXSUIRSI-UHFFFAOYSA-N 437.536 4.979 30 10 IJEE Cc1c(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cccc1[N+](=O)[O-] 2323260557 VLJRFZIGAVEUMG-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NCc1ccccc1 2323985426 VCKJJMPFRKATKB-UHFFFAOYSA-N 433.479 4.734 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324141017 ZDXGVYIXTOYAML-HNNXBMFYSA-N 445.918 4.846 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Br 2324241538 FBEAVBJPPYMRII-UHFFFAOYSA-N 439.252 4.955 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324373419 OLYPCOWVTISSJJ-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)c1 2324471020 IOQONKIKKFTJCH-INIZCTEOSA-N 445.471 4.726 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCC)c([N+](=O)[O-])c1 2326272461 QGPHELCSXKYYTN-UHFFFAOYSA-N 443.504 4.851 30 10 IJEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1cccnc1 2329192751 VJXQSUIZRGRWCK-UHFFFAOYSA-N 433.512 4.608 30 10 IJEE CCC(=CC(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(OC)cc1 2329551944 OOXLJWVXNQWKHJ-AREMUKBSSA-N 439.515 4.856 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2330637161 FNYJITZQQHQQRU-UHFFFAOYSA-N 442.424 4.749 30 10 IJEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1O 2330824729 ZOUNEZYXRJCMAZ-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE Cc1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2331424719 ICKHWUUFCKNGRQ-UHFFFAOYSA-N 425.514 4.573 30 10 IJEE COCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2331549124 GQWQESKPTHSPOE-UHFFFAOYSA-N 440.569 4.703 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OC(=O)CC 2331894703 CTBCFFJGBMKSQN-UHFFFAOYSA-N 440.492 4.661 30 10 IJEE C[C@@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1C(=O)OC(C)(C)C 2339535509 MPDVEPDVHGMMGC-QZTJIDSGSA-N 443.397 4.560 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339535717 NXOOUVQGVZFIMB-RBUKOAKNSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C12CC2 2339587921 APDCKKWQQVUXNX-GOSISDBHSA-N 441.381 4.680 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@H](O)C#Cc1cccc(Br)c1 2360196443 QTJCHBMDNBOTQB-IJXRJRJASA-N 434.374 4.730 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197951 ZOHNWFCIUPAOGT-GTAWCEEGSA-N 433.390 4.567 30 10 IJEE Cc1ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c(Br)c1C 2361763185 JKZMKQLZUTUCBU-INIZCTEOSA-N 438.366 4.982 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(Br)c(Cl)c2F)n1 2362159987 MMTNCWSGEWGDSE-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CC#CCN(C[C@H](Cc1cc(Br)ccc1F)NCCC)C(=O)OC(C)(C)C 2363119644 RQSLLWNNXOWYIC-SFHVURJKSA-N 441.385 4.759 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(Br)c(F)c1)NCCC)C(=O)OC(C)(C)C 2363121984 JMZUKIJQUTVPOM-KRWDZBQOSA-N 441.385 4.759 30 10 IJEE CN(Cc1cc(Br)cs1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2369067331 DDOQMIPANJWEJF-UHFFFAOYSA-N 440.187 4.581 30 10 IJEE COc1ccc(/N=C2\S[C@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C)cc1 12631917 RWELJZYZJLAJIH-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c1OC 21349628 ICDSNJXJPRGBCV-RCDICMHDSA-N 432.476 4.664 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C(C)C)nc2C#N)cc1 33959111 JXAZHVYQEGYCEH-VULFUBBASA-N 426.480 4.977 30 10 IJEE C=CCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1 36315997 CDTFSQLLGVDMQY-QHCPKHFHSA-N 449.595 4.963 30 10 IJEE CCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(C)cc3)c2O)cc1 38624225 PDQNRNYDPURKQV-UHFFFAOYSA-N 430.504 4.501 30 10 IJEE COc1ccc(CCn2c(O)c(/N=N/c3ccccc3F)c(C)c(C#N)c2=O)cc1OC 39870884 MELLZGWPYJPCMP-CYYJNZCTSA-N 436.443 4.548 30 10 IJEE O=C1/C(=C\c2ccccc2Cl)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 102733700 MZJZIKXIHBHQKQ-RGVLZGJSSA-N 430.840 4.863 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc([N+](=O)[O-])c1OCC 169940970 YIFZRNRRWAFNKN-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccccc1O 169942515 VCBPNRRRCPYGOF-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)cc1 169961042 SMGFEAVBBOLZTN-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(C)c2)cc1 169972097 UDOLZTPDOHZTQF-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1C 170082983 MIHCTLBPFRZCOA-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C)o1 170100290 CADGXPNIMZARRJ-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170114749 HCGKXSGQVAGLHG-NRFANRHFSA-N 436.464 4.514 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1 170130221 MPBZEMJIHWYKDL-NRFANRHFSA-N 449.528 4.858 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(OC(C)C)cc1 170152193 QSNUIMCSUICLGF-JOCHJYFZSA-N 441.499 5.000 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 170238246 JUMNGIYRIMISAM-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1F 170248597 ZJNPHVQSFJGOGG-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1 170256751 UMGWBTZMNCJBKG-OAQYLSRUSA-N 449.528 4.858 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccco1 170280107 KKQMPDVXKZWQQA-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccco1 170283974 QVADEGPFESPZMJ-LJQANCHMSA-N 438.823 4.933 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccco2)cc1C 170284738 OQQWGZHEBOGATC-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2CCC)c1 170324227 JGNNRSWQEJBJFU-NRFANRHFSA-N 441.911 4.902 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(O)cc1)c1ccncc1 170341346 BYVOBOLGCRLAPK-LJQANCHMSA-N 440.377 4.589 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1cccs1)c1ccncc1 170349254 DGMUEQCAQDNDAG-QGZVFWFLSA-N 441.306 4.689 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccccn1)c1cccs1 170351201 FRWZPDNZKRUFPO-JOCHJYFZSA-N 445.544 4.916 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(F)c1F 170401760 HLWRKCRXDNTTAJ-UHFFFAOYSA-N 430.226 4.719 30 10 IJEE COCCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)SC1=Nc1ccccc1 252629282 UCQDLXHUUUKMCC-RVNILFKFSA-N 432.929 4.608 30 10 IJEE CC(=NOCc1nc2c3c4c(sc3ncn2n1)C(C)(C)NC(C)(C)C4)c1cccs1 254816958 NVZRMHKOAMYBRS-UHFFFAOYSA-N 440.598 4.501 30 10 IJEE Cc1nc(CNc2cc(C#N)c([N+](=O)[O-])c(NCc3nc(C)sc3C)c2)c(C)s1 301853561 XYEIEVRWWKVXLM-UHFFFAOYSA-N 428.543 4.837 30 10 IJEE N#C[C@H](C(=O)c1sccc1I)c1ccc(Br)cc1 381238246 JXNZKYGBNBZNIQ-JTQLQIEISA-N 432.080 4.605 30 10 IJEE CC(C)[C@]1(C)CSC(=Nc2cc(I)ccc2Br)N1 398496174 IACAJJOLJRLDIJ-ZDUSSCGKSA-N 439.160 4.792 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnn2CC2CCCCC2)nnc1-c1cccs1 489444504 YVLXSCUDNJYQJM-UHFFFAOYSA-N 442.614 4.700 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 549283240 YXIZBPOCGHXEIU-HXUWFJFHSA-N 429.653 4.744 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)cc1 558927618 NWYJUGTVDBOKKD-HXUWFJFHSA-N 445.567 4.995 30 10 IJEE N#C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 568590072 JGVWFXZJWGWZPR-LBPRGKRZSA-N 433.264 4.507 30 10 IJEE N#Cc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 586124316 PDMIZCGKUZPNFX-UHFFFAOYSA-N 433.371 4.844 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)c1ccc(OC(F)(F)F)cc1 586258901 QYFGQJXCAZHGAO-UHFFFAOYSA-N 448.850 4.746 30 10 IJEE CC[C@H](Oc1ccccc1C(C)C)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 733548623 IBSDFXWFTQDNJK-BEFAXECRSA-N 440.565 4.960 30 10 IJEE COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1F 755603479 UCVAPATVVQAJJJ-HMWXGYMHSA-N 434.439 4.900 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCO[C@@H](C3CCCCC3)C2)c1=S 758289591 JGPBYSJHWDCFCD-OAQYLSRUSA-N 428.602 4.514 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCO[C@@H](c2cccc(C#N)c2)C1 761758318 FQBXFBJRJZKOCO-RXFWQSSRSA-N 425.532 4.550 30 10 IJEE Cc1cnn(-c2ccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc2)c1 787051928 VXZBXRIVBZQAHT-IFXJQAMLSA-N 441.318 4.687 30 10 IJEE C(=NNc1nc(N2CCCC2)nc(N2CCCC2)n1)c1c2ccccc2cc2ccccc12 1081095274 OKHBZIRRBPBXRF-UHFFFAOYSA-N 437.551 4.824 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)c2c(F)cccc2F)c(C(=O)OCC)c1C 1124820192 CAMHVELLGPGNAR-LBPRGKRZSA-N 437.464 4.596 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1 1124971664 DXTXZDZCLOAVPX-UHFFFAOYSA-N 437.634 4.801 30 10 IJEE C=C(C)[C@H](CC(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)OCC 1127728806 UAZACNYTXYSRFB-YADHBBJMSA-N 426.557 4.893 30 10 IJEE Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1128820690 FAZVIZNVVHRGRY-LJQANCHMSA-N 426.358 4.645 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)C(F)(F)F)cc1 1128867039 QTXGBTOPGHJEFP-KSZLIROESA-N 425.447 4.850 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1Cl 1131484218 FIWXECWJGKFKNB-UHFFFAOYSA-N 449.610 4.890 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1136464862 YZWAEERRGDDNOE-HOYKHHGWSA-N 448.007 4.628 30 10 IJEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)C(C)(C)C 1141644455 QJWRYPSCULBWCO-SFHVURJKSA-N 439.364 4.572 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1c2ccccc2CC[C@H]1N1CCCC1 1142900490 MFKLVYLWHNRZAM-ZRBLBEILSA-N 441.616 4.504 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(C)[nH]1 1149886320 MSYKDWASOOCGHW-JOCHJYFZSA-N 430.508 4.530 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)cc1Br 1151974872 DDMWAJKSXCHTFA-UHFFFAOYSA-N 447.760 4.834 30 10 IJEE C#CCN(Cc1cc(C(=O)OC)c(C(C)C)[nH]1)[C@@H]1CCOc2ccc(Br)cc21 1180291561 CYGYQLKBBIITBO-LJQANCHMSA-N 445.357 4.646 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 1183977902 QVCVLHPJVLFCGL-RXVVDRJESA-N 447.000 4.683 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCCCN(C)C(=O)OC(C)(C)C 1189013723 KLRJTVKAABMGPR-UHFFFAOYSA-N 432.590 4.701 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 1211734778 SABKSSQQBBEHHH-FQEVSTJZSA-N 449.414 4.833 30 10 IJEE C=CC(C)(C)CNC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1215047562 JCZMTYSXTKWPPH-LJQANCHMSA-N 445.560 4.577 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(C(F)(F)F)cc1Br 1215949754 GUYGZXBFBUFRTB-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc(Cl)cc1F 1222666451 NPNFUDWCQGBDLH-GAJHUEQPSA-N 427.951 4.885 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 1224741352 JBBRRTCSGMVMFT-VWLOTQADSA-N 432.495 4.777 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 1254754109 HJNHLJRTVPANLF-HSZRJFAPSA-N 425.548 4.759 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)Cc2ccccc2F)c(C(=O)OCC)c1C 1264357694 WKWCHEJWBDMODN-CYBMUJFWSA-N 433.501 4.532 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)/C=C/c2ccc(OCCN(C)C)cc2)c1 1264919704 CGSVKCABOQDHPF-NTCAYCPXSA-N 430.573 4.916 30 10 IJEE C=CC1(CC(=O)N[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CCCCC1 1267710597 WJBDNSVORQZPIA-IBGZPJMESA-N 433.390 4.896 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Br)cc1 1275474123 KXAVVMUPPJSRCD-LJQANCHMSA-N 435.277 4.597 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)cc(OC)c1OC 1277366919 BEWQLAKLZIFWEU-UHFFFAOYSA-N 445.235 4.861 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1286277498 DHIVJVMWGPEYEF-CABCVRRESA-N 432.952 4.973 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCCC(C)(C)C 1286454130 GMHYRRCAOKFHJS-VWLOTQADSA-N 442.579 4.535 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1C(F)(F)F 1286499242 POSIFTFTGPDZTP-UHFFFAOYSA-N 434.487 4.868 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCOC(C)(C)C 1286555156 WPPOSKKEADEIKQ-AZUAARDMSA-N 432.996 4.831 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCSc2nccs2)CC1 1286654535 KSAYIUBRUOIHSM-UHFFFAOYSA-N 441.626 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](COC)C1 1286668975 YDYVQJBDIGMMPW-IEBWSBKVSA-N 444.645 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286673533 WPSUYUAPURKNJK-JOCHJYFZSA-N 448.615 4.826 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnccn1)c1ccccc1 1286678390 WBQRMSUFSJQEHQ-FQEVSTJZSA-N 445.958 4.780 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(F)(F)Br 1286681772 SXMMYNSHGVPJEE-UHFFFAOYSA-N 438.320 4.987 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286685421 REKUJKYEXQGFSZ-MJGOQNOKSA-N 448.409 4.550 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1286688942 USQNNBHYRHFXGQ-UHFFFAOYSA-N 425.621 4.696 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](c1cccs1)N(C)C)C1CC1 1286735989 VZTFBKXBQHJUCA-FQEVSTJZSA-N 425.577 4.527 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccc(C)cc1 1286748130 PVGCRXFFODSHNI-LJQANCHMSA-N 446.580 4.765 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCS[C@@H](C)C1)C(C)C 1286750922 JQEFOVXLGQDWHS-UNMCSNQZSA-N 425.646 4.585 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1291959125 KNKICOSQRUBSAE-IBGZPJMESA-N 429.492 4.714 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC[C@H]1CCCCO1 1292596340 GGFDBBCJDNFJRO-JOCHJYFZSA-N 437.588 4.509 30 10 IJEE Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1cc(C#N)[nH]c1C 1293737132 DOGWMWXGHTZLIV-NSHDSACASA-N 429.343 4.880 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)C(C)(C)C 1298740926 DUZACLYKSJEIDX-QHCPKHFHSA-N 440.609 4.916 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1300409172 PYKGWYJMUKBAHI-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCO[C@H]1CCCC[C@@H]1C 1300564606 GIKXJSLCMWCHQC-AVRDEDQJSA-N 442.966 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccccc1C 1300817515 OGCPLADRYAYXDM-RQNQAMLKSA-N 436.600 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(OC)C1 1300872759 CWVUUGANPUIGML-ITSWEJNFSA-N 448.970 4.724 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1300935192 MXOJNMNNDOBLCF-CRAIPNDOSA-N 431.968 4.524 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(CCC)C1 1301357603 QBDQFAGFQUYBSO-NRFANRHFSA-N 446.624 4.803 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)noc1C 1301373029 RKSQDZISCPSYQC-KRWDZBQOSA-N 427.936 4.903 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1 1301391194 RMCKRMAXPXBJMA-NHCUHLMSSA-N 441.620 4.927 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)c2ccc(C)cc2)C1 1301566480 OLAFJCLTHKFHMC-GCJKJVERSA-N 437.613 4.527 30 10 IJEE C=CCn1c(SCCN2CCOC2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1307245698 KAPLYSKFZHCBLQ-MRXNPFEDSA-N 446.642 4.888 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Oc2cncc(Cl)c2)CC1 1307798158 BDSMTFRMMAPNQO-MRXNPFEDSA-N 444.988 4.611 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1OC 1308265685 DWHKMNFLRAIYEF-MRXNPFEDSA-N 438.902 4.883 30 10 IJEE C[S@](=O)[C@H]1CCC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 1310171173 AUZCUSDEELVUKS-OTQAAAIFSA-N 431.945 4.815 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCC[C@@H]3c3ncc(Br)cn3)cc2n1 1311236363 VQIXJCNUQLILTK-GOSISDBHSA-N 441.333 4.534 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)CCc1ccc(I)cc1 1312628321 DKNRVGMBPVAABV-YJBOKZPZSA-N 426.342 4.753 30 10 IJEE N#Cc1ccccc1OCc1nnc(Cc2ccc(OCCOc3ccccc3)cc2)o1 1327797012 XKOSSSYOJAXSFI-UHFFFAOYSA-N 427.460 4.569 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1351219993 DGYIUBJCWSXFMG-NXEZZACHSA-N 429.158 4.524 30 10 IJEE N#Cc1ccc(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)cc1Cl 1352434123 BBTVWIKYAFQGDE-KRWDZBQOSA-N 439.821 4.788 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(OC3CCCC3)nc2)c1 1354842881 FDSJDIVQCARNBC-UHFFFAOYSA-N 427.504 4.784 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCC[C@@H]1C 1358986312 ULTAFQOUVFLKME-FKBYEOEOSA-N 434.584 4.716 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1359052151 WAOXONQJVTXXMH-QGZVFWFLSA-N 425.627 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1359116358 IJPNDXNKZRZLHQ-UQVNRYHBSA-N 443.636 4.887 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCn2ccnc2C)CC1 1359181144 GXVVHVSOTUEKSB-UHFFFAOYSA-N 448.615 4.896 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN(C)C(C)C)CC1 1359182035 PSXXLTLTHGGTPY-UHFFFAOYSA-N 432.012 4.643 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359201407 MRIQBYUOWSJTIN-HSZRJFAPSA-N 436.648 4.953 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCN1CCCC[C@@H]1C 1359234728 YYAISKXIQDUONH-HNNXBMFYSA-N 438.439 4.656 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1Cc2ccoc2CC(C)(C)C1)C(C)C 1359265174 ADHGMPYLJMYCND-NRFANRHFSA-N 425.621 4.721 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@]1(C)OCCc2sccc21 1359273861 QXZAKGFZLAAIKZ-QFIPXVFZSA-N 426.611 4.658 30 10 IJEE C=CCc1cc(CNC(=O)CCc2cc(F)ccc2Br)cc(OC)c1OC 1434918812 GOLDXRZKWDVVQL-UHFFFAOYSA-N 436.321 4.583 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1434967978 OEZHXHOMOHODRB-LJQANCHMSA-N 430.545 4.784 30 10 IJEE C=C[C@@H](CC(=O)N[C@@H](C(=O)OCC)c1ccc(OC)c(Br)c1)c1ccccc1 1435686387 GNWJTHPSNKYTEO-YCRPNKLZSA-N 446.341 4.538 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[C@@H](C)C2)ccc1Cl 1436132950 FEVHJKVQASJDDD-MSOLQXFVSA-N 447.000 4.887 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)c2C#N)C1 1436522857 HGJPBMQKHYEPLD-BZUAXINKSA-N 431.602 4.965 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3cccc(C(F)(F)F)c3)CC(C)C)cc2C1=O 1438033815 BWEBLZIEBNLWLQ-UHFFFAOYSA-N 444.453 4.786 30 10 IJEE C#CCC1(NC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CCOCC1 1439374284 QCGWAMXLQVGFAG-UHFFFAOYSA-N 428.488 4.969 30 10 IJEE C#Cc1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 1448174628 QUVMPUPVEGOWJR-GOSISDBHSA-N 427.344 4.919 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 1456306502 LBWKYHYFWUGXDZ-JOCHJYFZSA-N 425.573 4.558 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCCSc3ccc(Cl)cc32)cc1Br 1457503238 ATKRKTQNFPGMNK-UHFFFAOYSA-N 437.746 4.882 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C 1458292601 AMUHCCPBRTZCGT-QKKBWIMNSA-N 443.341 4.538 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)Cc1ccc(F)cc1 1459408702 VTSOEURCHKYOMU-UHFFFAOYSA-N 449.913 4.805 30 10 IJEE C=CCc1cc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cc(OC)c1OC 1460016123 QJDBILJQHBVPSW-UHFFFAOYSA-N 428.960 4.747 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 1460796317 BTTVTFJFLLNUFV-PMACEKPBSA-N 436.625 4.763 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 1465328072 XTPSZAAZYVRKJM-QGZVFWFLSA-N 449.370 4.854 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 1466607815 GAJVLCVMGJUXHZ-UHFFFAOYSA-N 430.549 4.647 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 1470075027 RRUBPUGUNQPNEM-BEFAXECRSA-N 437.540 4.678 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc1Cl 1470394464 NAKIKHTUXMVXQI-SOUVJXGZSA-N 445.412 4.784 30 10 IJEE Cc1c(Br)cccc1CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1471305158 HZHYZJCVNKWISL-FPOVZHCZSA-N 426.358 4.781 30 10 IJEE C=CCCC[C@@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)C(=O)OC 1471893610 MJHLZZJQWCWXMR-OAHLLOKOSA-N 426.460 4.765 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 1474560955 MMONVKLGZPSJGM-HXUWFJFHSA-N 425.834 4.824 30 10 IJEE COc1ccccc1[C@@H](NS(=O)(=O)c1c(C)cc(F)cc1C#N)c1ccccc1Cl 1475012514 GSVWGGLZKFXBQH-NRFANRHFSA-N 444.915 4.736 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1)c1ccc(Br)cc1 1476036139 QYYLJRXXEOAPNW-RBUKOAKNSA-N 443.341 4.811 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)C1 1476075701 GCVIYIKRGODFOX-ZWKOTPCHSA-N 441.963 4.620 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(SC(F)(F)F)c3)CC2)cc1 1476953771 HDZQSHFFPGYACV-UHFFFAOYSA-N 434.487 4.910 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1478900479 LRWHQBFCPLHASO-RTBURBONSA-N 441.856 4.774 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1CCN(c2ccncc2)CC1 1495100008 GYTSMKFDVSENIL-FQEVSTJZSA-N 443.599 4.611 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](CC)OC 1507660181 OABLRZTVSJOYLX-FPOVZHCZSA-N 442.991 4.576 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](c1cccnc1)C(C)C 1507669134 SCTCYIYPRDMCDG-RUZDIDTESA-N 448.574 4.791 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C)(C#N)CC1 1507793077 BZJPMJRLQCROQK-YLJYHZDGSA-N 425.964 4.710 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1507880571 LLWFBBBNQQUMGU-UEXGIBASSA-N 442.526 4.769 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(CC)C1 1507911318 JLJLVYOVILAHAA-QHCPKHFHSA-N 430.618 4.577 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC)[C@H](C)C1 1507926500 GFNMBPPSOLUJLM-GOSISDBHSA-N 446.437 4.903 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@](C)(O)CC)C1CC1 1507988907 SYKUGKJSQQPEDH-LJQANCHMSA-N 439.785 4.677 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@](C)(O)c1ccco1 1508000389 XQBYGPPHAWVYLV-SANMLTNESA-N 445.567 4.576 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCSCC(F)(F)F 1508005202 UYHPJQSZISQLGS-UHFFFAOYSA-N 433.503 4.828 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1508024040 HSDDWRPRUSVRSI-DNQXCXABSA-N 429.568 4.556 30 10 IJEE C=CCn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 1508050513 GYTREIQAHSWBLC-UHFFFAOYSA-N 430.455 4.812 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC=C(C)C)C1 1508111375 DZDYQLLTPOXRMN-KRWDZBQOSA-N 431.378 4.845 30 10 IJEE C=CCSCCn1c(N2CC[C@@H](C)[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508167589 JRQJFMJJSMOJFF-YRXWBPOGSA-N 449.665 4.593 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H](c1ccsc1)N(C)C 1517123273 BVKCBLNAICKLDO-OAQYLSRUSA-N 436.629 4.739 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1CCc1sccc1C 1518523003 FTSSPSJHKWLCEL-INIZCTEOSA-N 441.626 4.788 30 10 IJEE C=CCOc1ccc(COC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1521577894 GWQCHOXYJMPPIP-LAUBAEHRSA-N 434.319 4.821 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 1524637062 QIHDINJARIURAB-UHFFFAOYSA-N 426.270 4.849 30 10 IJEE C=CCCCCCCNC(=O)c1ccc(Br)cc1I 1525671293 CKAKQPHGTUJRMW-UHFFFAOYSA-N 436.131 4.920 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cc1OC 1528911867 LXLFYWLJHOOSSB-JYAZYPBOSA-N 434.580 4.642 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cnc(Br)c(Br)c1)c1ccc(F)c(F)c1 1529493491 YKLZDJLCWMLGFN-CQSZACIVSA-N 446.089 4.932 30 10 IJEE CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1530993239 GAVUHAAREZUURQ-OAHLLOKOSA-N 429.851 4.685 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@]2(C)C[C@@]2(F)Cl)nnc1-c1ccc(Cl)cc1 1531574141 YCBRVUKIJNSUKX-MOPGFXCFSA-N 443.375 4.698 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F 1532997723 FWKWBUKWZKMFPH-QHCPKHFHSA-N 445.485 4.851 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 1533036125 ACMDFQSHKPRRNK-UHFFFAOYSA-N 426.442 4.873 30 10 IJEE C#C[C@@H](NC(=O)c1csc(N(C)c2ccccc2)n1)c1ccc(Br)cc1 1535483310 IFPWRUABCNXYJG-QGZVFWFLSA-N 426.339 4.778 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)C(C)(C)C)cc1 1537697757 UMDBJOCQRNRUKH-GOSISDBHSA-N 442.506 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(CC)C1CC1 1538971675 HSIDFYKIVQURNE-OALUTQOASA-N 444.023 4.631 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1539351422 WVRPVIVJZAPYPL-SFHVURJKSA-N 447.549 4.586 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CC)CC(C)C 1539579963 FFRVMACPRDQRCH-UHFFFAOYSA-N 429.309 4.937 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](CC)C1 1539607327 CEWYTPHHSOKBMV-AWEZNQCLSA-N 425.758 4.655 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCc2nccnc2C)CC1 1539840459 TZQQYSCDBZPDQU-UHFFFAOYSA-N 446.599 4.868 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccco1 1539966432 JJUZGJMQBFGLCA-IBGZPJMESA-N 435.576 4.599 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1540007059 JPFIUTSWHLLUBO-IBGZPJMESA-N 430.556 4.689 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(C)(C)OC[C@@H]1C 1540909902 RKIQEKSCNGLSRP-SFHVURJKSA-N 437.613 4.725 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1540911724 ZZDMGJUTVGJMTR-INIZCTEOSA-N 441.988 4.700 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1540916187 SXHLXIUHYNMJCT-PKOBYXMFSA-N 449.665 4.594 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C1CCCCC1)N(C)C 1541806230 GZPZSDYEHGMSGV-YKSBVNFPSA-N 447.631 4.530 30 10 IJEE C=CCSc1ccccc1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 1556384507 FJZNTFAMRNIOAN-UHFFFAOYSA-N 428.355 4.843 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)C1 1557169771 GGURYKOBAGPVDD-OAQYLSRUSA-N 438.593 4.597 30 10 IJEE C=CCSc1ccccc1C(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 1557990674 SDYGPTVPAJCMRD-OAHLLOKOSA-N 434.483 4.777 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br 1558216650 NCAASPYBENOCPT-FQEVSTJZSA-N 436.309 4.591 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1561402488 MXSSWIPWQDMZRQ-GOSISDBHSA-N 428.432 4.741 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCCc2ccccc2)cc1Br 1561403237 BWAXUXXCVUWTHN-IBGZPJMESA-N 447.398 4.887 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC 1562631370 IUTDPIPVONDGAG-UHFFFAOYSA-N 437.584 4.963 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 1563738267 UCKJQMPXOBYVPG-JOCHJYFZSA-N 441.531 4.982 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 1564913778 UFDHEKFBGTVZCU-GOTSBHOMSA-N 427.589 4.797 30 10 IJEE C#C[C@@H]1CCCN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1570817023 NXMZFCMZKWQVRQ-HXUWFJFHSA-N 444.575 4.956 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(Br)cc(OC)c2)CCCN1C(=O)OC(C)(C)C 1583978684 ILTRBWDBXRNHGE-HXUWFJFHSA-N 439.350 4.742 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1585904983 OIRPDPGYKZTYOR-HXUWFJFHSA-N 439.468 4.632 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC(C)C)nc1 1587586601 QVXIQYZIXLYDIX-IBGZPJMESA-N 431.584 4.931 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@](C)(OC)CC1 1587712683 ZDGZQHVTPWEFOM-VWLOTQADSA-N 432.572 4.534 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1588459211 ONRQEGMMOLMAHY-BRSBDYLESA-N 426.527 4.950 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1589664258 WPGHCTCLQKUEST-IBGZPJMESA-N 431.625 4.669 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOCC2(CCC2)C1 1593659795 CHKOXMJHSJFODE-UHFFFAOYSA-N 445.007 4.835 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1593671242 AWOUZAFNMUDAGY-QGZVFWFLSA-N 448.951 4.865 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCOCCCC)CC1 1594064199 JORITSNXSHSDMQ-UHFFFAOYSA-N 425.396 4.742 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ncc(CC)s2)CC1 1594209074 RKVQTRXCSISALJ-UHFFFAOYSA-N 428.993 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1594448158 ADRAICJOANUPFH-IBGZPJMESA-N 448.546 4.661 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1594600025 GGPQWAUOZBHBFU-OAQYLSRUSA-N 448.615 4.532 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1594651075 FZJKBKMLZMXEII-LJQANCHMSA-N 438.494 4.768 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@H]1CC 1594793095 GGJYULJDIDQUNY-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@@H](C)C1)C1CC1 1595026215 GWHVHDWMZNPFPL-MOPGFXCFSA-N 444.023 4.958 30 10 IJEE C=C1CCC(CNC(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)CC1 1595110856 FNOZGRLHAPIAMN-CQSZACIVSA-N 425.314 4.566 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CCc1nccs1 1595119866 IFFHQPGOGBVRHV-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)c1ncc(C)s1 1595261626 SYAMVQLYWPRORI-YLJYHZDGSA-N 441.601 4.916 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N(CC)Cc1nc(O)c2sccc2n1 1595350723 UAALCGWLIDJJJA-UHFFFAOYSA-N 444.923 4.660 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1595434521 DJSJOIIKGBFGEE-LPHOPBHVSA-N 431.378 4.965 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC1CCC1)CC1CC1 1595501051 KPHNHZDTGXTPNK-UHFFFAOYSA-N 448.398 4.571 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@](C)(CC)C2)cc1 1595639909 OEUYTXXRKFJYPJ-DEOSSOPVSA-N 438.597 4.549 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccsc2Br)C1 1595687723 CIZYITOFLYVVAC-HNNXBMFYSA-N 449.374 4.500 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl 1596012622 HIGZNKMBOPRTAS-GOSISDBHSA-N 437.927 4.667 30 10 IJEE C#CCOc1ccc(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1598543350 SAMUNPVXYUSRCB-FQEVSTJZSA-N 440.584 4.588 30 10 IJEE CC[C@H](C)[C@H](Cn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1613137645 FVAJMGMATSHHNA-MBSDFSHPSA-N 437.588 4.526 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nc2ccccc2c1=O 1613241341 ZQKIZBCBSMUEJZ-ZWKOTPCHSA-N 447.604 4.819 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 1617266295 RNDQXLMHGTZHBC-YPAWHYETSA-N 434.621 4.776 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1618463522 ZHTHLDKRJRPPFP-UHFFFAOYSA-N 447.000 4.910 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Br 1622346731 LYUOOLWGHDEGOG-RISCZKNCSA-N 437.197 4.625 30 10 IJEE CN(C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(C(F)(F)F)c1 1623029132 HZNRYCVNNVKJRG-MRXNPFEDSA-N 442.388 4.603 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 1623172149 ZYMJSNIKHWQMCN-INIZCTEOSA-N 426.488 4.688 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 1628645243 XXQWKFVOTCSMFM-QGZVFWFLSA-N 426.141 4.972 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(OCC)cc2s1 1631843761 ASIRRCKENMNVNI-CQSZACIVSA-N 425.938 4.669 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 1635152087 DVFZFXKXVYFHQJ-FQEVSTJZSA-N 439.314 4.980 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(OCC)cc2)CC1 1636540588 BFSOOXYFGJPNBB-JOCHJYFZSA-N 428.573 4.951 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 1639662153 GGRLRRUZVPLMCP-UAFMIMERSA-N 434.964 4.544 30 10 IJEE C=C[C@@H](C)ONC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 1640635497 SJQOUOZYWDYNSE-SNVBAGLBSA-N 449.743 4.684 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cccc(Br)c2[nH]1 1644383860 BTSSGUUTJJAKFB-AWEZNQCLSA-N 437.338 4.514 30 10 IJEE N#Cc1cc(NC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)ccc1Br 1647797542 FIUJRRLRMBBWMK-UHFFFAOYSA-N 436.187 4.846 30 10 IJEE C[C@@H]1Cc2cc(S(=O)(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)ccc2O1 1654196890 BJCOTDDOKGICLY-MRXNPFEDSA-N 438.936 4.931 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)C1 1657660125 VPWCFZNPFPHXQI-WMZOXILCSA-N 445.629 4.610 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)cc1 1658320979 PRCPQRIDTIMIII-GQWLDOHISA-N 447.988 4.665 30 10 IJEE Cc1c(S(=O)(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)sc2ccc(C#N)cc12 1660268600 FOWJOQGCAOFODD-HNNXBMFYSA-N 443.594 4.768 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)[C@@H](OC3CCOCC3)c3ccccc3)cc2n1 1664850745 XWOPMFHQWFXQFL-MHECFPHRSA-N 434.540 4.669 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc2ccccc2cc1C(=O)OC 1666025711 VRULUSUWRYDTEY-UHFFFAOYSA-N 435.954 4.718 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1 1671034207 VLUKFHXUOILOJA-YOEHRIQHSA-N 432.318 4.657 30 10 IJEE Cc1ccc(F)c(Br)c1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1671657400 DSZLRVMHFGYXRE-UHFFFAOYSA-N 445.336 4.508 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1673034445 MXQIQWBLUGWHDJ-CYBMUJFWSA-N 438.368 4.836 30 10 IJEE C#Cc1ccc(NC(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)c(Cl)c1 1673380559 BZCAPXVHFJMNTJ-INIZCTEOSA-N 428.920 4.579 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 1673796734 PAHCTPCTOFKUGZ-UHFFFAOYSA-N 444.938 4.667 30 10 IJEE C[C@@]1(C#N)CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1675398615 DBLSTUXCWOXJBJ-REWPJTCUSA-N 443.016 4.836 30 10 IJEE C=CCOc1ccc(CNC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)cc1 1679823097 RAECYGKZRZYLCC-UHFFFAOYSA-N 443.853 4.587 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@@](C)(CC)O1 1690006727 YPEAKONYBCHEQK-DMJCMNNJSA-N 436.625 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C(C)C)C(C)C 1690064010 WZDYDLIWBQVKPU-UHFFFAOYSA-N 427.662 4.854 30 10 IJEE C=C(Br)Cn1c(N(C)[C@H]2CCCN(Cc3ccccc3)C2)nnc1C(C)(C)C 1690233262 BAVYWHYWXBVZAV-IBGZPJMESA-N 446.437 4.585 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 1690323827 AUVUDKZCPSAORS-UHFFFAOYSA-N 432.490 4.997 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](CC)N2CCCC2)CC1 1690368894 PJQFLVAHXVYZQY-IBGZPJMESA-N 429.996 4.638 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1690402727 NSQHHCNXBIKQCQ-APWZRJJASA-N 432.515 4.622 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690435109 RIBSNAKCETZSOU-LJQANCHMSA-N 438.551 4.686 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 1690453557 DWZSOWDPFOUUOI-UHFFFAOYSA-N 431.382 4.532 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3sccc23)CC1 1690464598 GPNGKAJXVSMKHM-UHFFFAOYSA-N 439.633 4.554 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(C)C)C1 1690475214 JEOCJUGXHUGIMT-LJQANCHMSA-N 433.394 4.843 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1690491969 LWEKTQBLFCXRFF-UHFFFAOYSA-N 435.359 4.500 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1Cc1ccsc1Br)C1CC1 1690548519 DEMDWHVABQVIOH-UHFFFAOYSA-N 435.416 4.958 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H](C)C1 1690559362 DBVCGVHNSDSLCA-REWPJTCUSA-N 442.567 4.528 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@@H](SC)C(C)(C)C 1690570205 ZDIWLHGNDPOFPK-HXUWFJFHSA-N 440.592 4.845 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1690571797 JGZWOQBNCAPJMD-CEMLEFRQSA-N 428.552 4.522 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCc1scnc1C 1690604750 YTZXLGJNUSZGKV-OAQYLSRUSA-N 437.613 4.762 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1690632796 QEAMFNCGINZUBW-UONOGXRCSA-N 425.396 4.595 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)C1 1690707335 SYXYJDFTDXBNGB-XZOQPEGZSA-N 449.574 4.624 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1692292265 IDJKKMARNTYGKF-RPBOFIJWSA-N 434.588 4.744 30 10 IJEE Cc1ncsc1CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1692921913 IAFJVWHXYQWGCU-AWEZNQCLSA-N 447.033 4.827 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C[C@H]4CCOC4)C3)n2CCCC(F)(F)F)cc1 1698487195 CYNTZRQFAVLDRV-RBUKOAKNSA-N 447.505 4.802 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(OCC)c1 1705545037 MTCBKHXOFQWFTE-GOSISDBHSA-N 434.609 4.842 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1705609343 ZELPDMZGCFXCOF-HXUWFJFHSA-N 449.599 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1705676713 LZLYIMXYQYRXJZ-MVOZIGHISA-N 447.671 4.812 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)F)C1 1705682079 PHAKURCRYCYUHH-ZDUSSCGKSA-N 431.712 4.989 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2nccs2)nnc1C1(c2ccccc2)CCC1 1705690563 AEJJMZHENPZGOD-UHFFFAOYSA-N 444.402 4.750 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(Cc1cccc(F)c1)C(C)C 1705704618 XIFBYEOAYOBONO-NFBKMPQASA-N 437.563 4.819 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCSC2)CC1 1705762593 CXCQXCGXZNAJCC-RBUKOAKNSA-N 428.602 4.726 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705791539 YNTFMCBQFSPYNO-UYAOXDASSA-N 443.567 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705794187 YEPMJOLJQVEVHJ-HXUWFJFHSA-N 444.645 4.555 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705801023 QNRPJKNOUBFCNC-QZTJIDSGSA-N 430.980 4.826 30 10 IJEE C=CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ncc(Cl)n1C 1705808963 YLDZQVREVXYZTF-UHFFFAOYSA-N 437.979 4.661 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@H]1C(=C)C 1705835643 PYSMOMAFSVRXPM-PMACEKPBSA-N 435.597 4.980 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCOC[C@H]1C)C(C)C 1705867959 YLXWMKDXBSLFGT-KNQAVFIVSA-N 444.023 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](CC)Oc2cccc(F)c2)C1 1705924560 XDIKMTQGCFOIGQ-TZIWHRDSSA-N 430.568 4.645 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705948604 YWDWQKJDMJMUSL-BVSLBCMMSA-N 426.630 4.834 30 10 IJEE Cc1noc(C)c1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1707930820 DFUNGCOYDKIJFS-FQEVSTJZSA-N 449.317 4.541 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)CC#N)o1 1709539332 GQJRUZPYLWVULN-AWEZNQCLSA-N 444.486 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cc(C(CC)CC)no1 1722280560 XHYRZECUBKACCD-HNNXBMFYSA-N 443.498 4.944 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cc1F 1722281348 NDVPOICWCBLGDX-LLVKDONJSA-N 437.313 4.554 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC1(CCOC)CCC1 1722420352 HPLJWWNIWZHFKR-UHFFFAOYSA-N 447.558 4.634 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2CCC[C@@H]21 1722479750 HJEPPEGYCIMMRF-CJNGLKHVSA-N 437.769 4.895 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(C)C)C1 1722496380 KWKAYBKRQJMJKB-CZAAIQMYSA-N 448.970 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)CCOCC1 1722517182 MISMBCGOFVVYSF-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccn2)n1Cc1cccc(Br)n1 1722595208 LURWKJAOGAELPY-UHFFFAOYSA-N 441.377 4.729 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722598762 BCJIBBXDTNUZLB-HSZRJFAPSA-N 437.632 4.871 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=C(COC)CC1 1722612867 LXUPJQMNFQTVJQ-UHFFFAOYSA-N 431.378 4.765 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722629763 NZJWQXORGOAYFA-JOCHJYFZSA-N 431.669 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1722667893 JGERQDNVBNMGMG-UHFFFAOYSA-N 428.540 4.616 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@H]2C)C1 1722713386 BBCFJXSVKAVFPN-KZNAEPCWSA-N 445.405 4.925 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](OCC(C)C)C1 1722735348 MSVIWJDDVJXEES-HXUWFJFHSA-N 437.613 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C(CC)CC)no1 1740531271 INOWISSLHZWMMP-SFHVURJKSA-N 448.571 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)COC 1740532245 CUUFUZPBUJYPFS-ROUUACIJSA-N 432.996 4.819 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)C1 1740565993 MPCWLORCXLZLTA-CQSZACIVSA-N 437.382 4.592 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1CC(OCC)C1 1740600274 KTEZZVNIZBFNJC-UHFFFAOYSA-N 431.584 4.627 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC(C)C)nc1 1740603151 IGSPVCKEYMQLHX-UHFFFAOYSA-N 435.597 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@@H]1CC 1740633941 ZFFZPMGRKKDHKP-HOTGVXAUSA-N 431.403 4.668 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)CCOCC 1740757864 XYKUBZONCKNHDO-OXJNMPFZSA-N 436.959 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(c3cccc(C)c3C)CC2)nnc1C(C)(C)C 1740768130 UCVFAUJTJBHZRP-GGAORHGYSA-N 437.632 4.500 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1740780935 VMWJBRZGDAILNH-KBPBESRZSA-N 437.407 4.623 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)c1nccs1 1740929915 JSXZNNGNHZBLSY-GOSISDBHSA-N 431.569 4.569 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2cccnc2)C(C)C)C1 1740974746 PFWZYUPWQTWSPI-BJKOFHAPSA-N 447.583 4.570 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)C1 1748468576 AIRBRIWAVGWUDF-BVAGGSTKSA-N 444.583 4.657 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1748674656 VEMVWGCXWVLSOR-JLMWRMLUSA-N 429.008 4.822 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(C)[C@H](C)CC 1748829245 YRZAPVORFRKURJ-QGZVFWFLSA-N 440.016 4.616 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)c1cccs1 1748913088 PIXJJJSHDDNLIN-UHFFFAOYSA-N 446.418 4.545 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1Cc1ccc(Cl)s1 1748918590 KUZIXUKGPNKNBJ-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC1(C)C 1749121937 QSDDBWUEIBCPJU-HKUYNNGSSA-N 432.515 4.907 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)=C(C)C1 1749135509 FMFSHCNGVQWWBD-AUSIDOKSSA-N 426.536 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)c1ccco1 1749147443 JCXJWQFWZIUMRZ-VWLOTQADSA-N 431.540 4.705 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 1749280326 HJLPEIDOXXYDLY-STQMWFEESA-N 431.751 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCC=CO2)CC1 1749293929 YOMSVMJAPRXJDU-SFHVURJKSA-N 429.362 4.865 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CCOC)CCC2)CC1 1749351912 DNZDEZRJYHBRTE-NHCUHLMSSA-N 430.637 4.806 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 1749354365 OMDBNCAHPJQLFR-QHCPKHFHSA-N 437.632 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1749355183 CSSMJYYGZVDZJY-CALCHBBNSA-N 430.618 4.895 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1nnc(C)s1 1749383862 JTCKNFXXBBKSBY-UHFFFAOYSA-N 433.585 4.884 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCSC1 1749529249 AKQOZRXFGARYLE-RBBKRZOGSA-N 442.629 4.864 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCc1cccc(F)c1F 1749591639 XLZUQTXPGIVFOZ-UHFFFAOYSA-N 449.505 4.998 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C(CC)CC)no2)C1 1749704246 ZERLSUQPKINNBB-OAQYLSRUSA-N 446.555 4.538 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1CCOCC1 1750066128 GEJRZLGWTCUBGC-INIZCTEOSA-N 439.560 4.835 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1760179534 ICJSXHNZRGEUTC-DYESRHJHSA-N 433.021 4.744 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@](C)(O)c2cccs2)CC1 1760390421 FVNQYLSLDPUYAE-QFIPXVFZSA-N 428.989 4.648 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2nc(C)c(C)s2)CC1 1760392335 MTTQXSIBKHCNSC-UHFFFAOYSA-N 444.004 4.983 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCC2CC(OCC)C2)CC1 1760393604 SROJFLJDOUBMEH-UHFFFAOYSA-N 442.629 4.941 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN(C)CC(F)(F)F)CC1 1760398969 UCJRIFYEXCDRHY-UHFFFAOYSA-N 445.892 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760409458 VRQKPIQJUBQLDB-GAJHUEQPSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1Cc2ccc(Br)cc2C1 1760410467 GAHNMVXYJLEZIY-UHFFFAOYSA-N 439.361 4.620 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1760426119 GSOXLJWOFNHPIU-FQEVSTJZSA-N 443.498 4.809 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCCC)CC1 1760440429 JSZFVPWWDFZBDQ-KNQAVFIVSA-N 426.561 4.542 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1760470287 ZRKYUQGMULDWDB-UHFFFAOYSA-N 443.473 4.765 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1Cc1ccc(N(C)C)nc1 1760487929 HPNQOKJWYIPPEP-UHFFFAOYSA-N 436.629 4.774 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)CC[C@@H]2C)cn1 1766287513 DBIAOODZAQIIST-OALUTQOASA-N 430.556 4.674 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(C)C)CC2)cc1Br 1768440088 BGTOOVNNRUCKKZ-HNNXBMFYSA-N 446.393 4.891 30 10 IJEE COc1ccc(C=NN=C2S/C(=C/c3ccccc3F)C(=O)N2Cc2ccco2)cc1 1772757267 CJMBSIGBSMLVGK-PFZYSIKNSA-N 435.480 4.934 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 1861383396 FTTVZYKEKJPKCM-QFIPXVFZSA-N 438.616 4.736 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1862442988 IVLZFEGZDKTNRK-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862451780 NGLRWBXCWICPPZ-BMLIUANNSA-N 440.710 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456596 VSGVEGCJQXWXQS-JOCHJYFZSA-N 437.417 4.925 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862519933 WPVCNTYOCNTFTE-YCRPNKLZSA-N 438.480 4.760 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862537959 GSLRZTBIMMZJKQ-LJQANCHMSA-N 434.319 4.517 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862586221 OIKNPYZFDRNJPC-SFHVURJKSA-N 446.286 4.521 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1C(=O)O 1862650992 IOFZGORGTPIHSJ-IVZQSRNASA-N 429.472 4.915 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862679084 UTLBCBGHJLITHI-JOCHJYFZSA-N 436.483 4.700 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(-c2ccccc2)cc1 1862725294 GBOXKPLNVQZEQM-HSZRJFAPSA-N 427.456 4.506 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)c(C)c2)C1=O 1862869992 QUCFSNLADPCFSL-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868268611 QMHAGPYEDDXYRJ-JOCHJYFZSA-N 427.552 4.881 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccs2)n(-c2ccccc2Cl)n1 1870004096 UMUGQUOHTDXUIT-VAWYXSNFSA-N 425.945 4.813 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 1870137520 PUEJZPZLUTXYQT-UHFFFAOYSA-N 429.311 4.544 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1CCCCCCO 1870341194 OLVOASPEBGLGJZ-UHFFFAOYSA-N 445.003 4.807 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCOCCCC 1870349068 YPRQDCBNVRQQFD-UHFFFAOYSA-N 449.595 4.680 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc3c(c2)OCO3)cc1=O 1870830095 BQAKNWQNMOMGDO-UHFFFAOYSA-N 430.545 4.575 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)cc(C)c3C2=O)cc1OC 1871369492 NUDKFFMHHVOGSQ-KIMCNIAYSA-N 432.428 4.840 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871456853 ANUSAOZRATVGPG-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872108726 IEIIGRUBTUXBSS-MBSDFSHPSA-N 439.581 4.706 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872292599 XTZPTLGYQAVJIS-SFHVURJKSA-N 434.989 4.859 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3cc(F)cc(F)c3)C2=O)cc1 1873311870 VOFHBNZGOPHOOY-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE C=CCn1c(C(=O)NCCCCC)cc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 1873593605 SDJBCDUZFMJWDA-UHFFFAOYSA-N 445.611 4.996 30 10 IJEE CCCOc1ccc(/C=N/n2c(COc3ccc(OCC)cc3)nnc2SC)cc1 1874234606 QGGJYFURZFBZSF-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(O)c(OC)c1 1874243959 HHVFDXFJXNSZBI-ZVHZXABRSA-N 426.586 4.745 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1cc(Br)ccc1O 1874413507 XOLUTFYUFAALPA-YBFXNURJSA-N 435.372 4.559 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C)cc1 1874434735 VCUAVKKIUIIENL-VULFUBBASA-N 429.549 4.550 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@H]1CCCO1 1874450545 FAHWEHNFGMXNPO-BYWZACNXSA-N 442.928 4.656 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(F)c1 1874456273 JSKZUYZKVZPDLP-BUVRLJJBSA-N 431.581 4.698 30 10 IJEE C=CCSc1nnc(C(C)(C)C)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874484952 WQWJAOXURLKNIW-RGVLZGJSSA-N 439.379 4.603 30 10 IJEE CC(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc2c(c1)OCCO2 1874489758 JHRFJRSDSXIZSH-ZMOGYAJESA-N 426.517 4.561 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(F)cc1F 1874507175 PAUWTZTXCSDCKV-BRJLIKDPSA-N 443.523 4.739 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)NC1CCCCC1 1874627326 JVASAJWDRLMUOT-YRNVUSSQSA-N 429.463 4.697 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OCC(=O)OCC(C)C 1874632565 JVPFIGHYZBSZAV-YRNVUSSQSA-N 442.508 4.577 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cnc(C)cn1 1875119838 PAIDUYHYNDSGER-VAWYXSNFSA-N 444.487 4.646 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C#N)cc1 1891057910 RHFDNQXPEIMDAU-WOJBJXKFSA-N 448.375 4.897 30 10 IJEE C=CCN(C[C@@H](O)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1930723709 KFTNSPWSYYCSGA-CYBMUJFWSA-N 435.156 4.668 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1c(Br)cccc1Br 1937822766 DQIYYLCQNPLDPL-CABCVRRESA-N 449.183 4.584 30 10 IJEE Cc1cc(C#N)ccc1[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1951519387 XLECNUYMPRYNTO-IBGZPJMESA-N 440.499 4.964 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)cccc1Br 1986046312 PHQZQYLMIMEXLG-DZGCQCFKSA-N 448.199 4.942 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2013355164 QIXIRUMUOOOIOB-VQTJNVASSA-N 447.498 4.859 30 10 IJEE CCc1nn([C@@H](c2ccc(C)cc2C)C2CCC2)c(I)c1/C=N/O 2079016053 FRXCBEUZRFCEGN-PGNNWUFWSA-N 437.325 4.865 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCN(Cc2ccccc2)C(C)(C)C1 2079248073 CTAGOZURDFTMNX-IXCJQBJRSA-N 436.640 4.933 30 10 IJEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(O)c1 2079849497 YBTBMDZAXKETKL-AWEZNQCLSA-N 430.224 4.640 30 10 IJEE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cnc1C#N 2174712236 MXLJUJSELLHAJW-HNNXBMFYSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)c(C#N)cc1F 2174766201 VDOVJVFHKNXEFK-XMQYKBBCSA-N 438.341 4.732 30 10 IJEE CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(C#N)c(Br)c1 2181051887 AZRIZDYMMGKMGN-CQSZACIVSA-N 438.366 4.980 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)CC1(C)C 2181113051 UNFJKCPESNPJIX-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCO[C@](C#N)(Cc2c(Br)sc3ccccc23)C1 2224755145 OEPPATGIBCNMNS-IBGZPJMESA-N 437.359 4.736 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2sc(C)cc2Br)CC1 2229370449 SKCWLVAZDKIWIL-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE N#C[C@@H](CNc1ccc(Br)cc1I)c1ccccc1 2231675361 VQZCKCLWOODWMT-LBPRGKRZSA-N 427.083 4.773 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2235717769 BPWDAFQQHUMKHP-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE C#CC[C@H](CC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237410947 SDMKCXGEZVGTBU-MJGOQNOKSA-N 434.374 4.894 30 10 IJEE Cc1cnc(N[C@@H]2CN(Cc3ccccc3)CC3(CCC3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241047720 XLDVKZJHAMQPGE-QFIPXVFZSA-N 447.432 4.546 30 10 IJEE CC1(C)C[C@@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CCN1Cc1ccccc1 2255800804 HOVMMCUDORPJLZ-FQEVSTJZSA-N 426.410 4.562 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2262206510 OLNPSGXFFVRXCJ-IRLDBZIGSA-N 447.572 4.655 30 10 IJEE C=CCCC1([C@H](N)Cc2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266300642 HAORVOKZDDNXGR-QGZVFWFLSA-N 427.358 4.661 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)c1 2267511285 ZXZKALMAVLVCQR-UHFFFAOYSA-N 445.290 4.833 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2296267965 YUOVFBSJTLNSER-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NN2C(=O)c3ccccc3C2=O)cc1 2297321797 KRGWNSJRBHNSBI-UHFFFAOYSA-N 434.451 4.998 30 10 IJEE COc1cc(C=C2SC(=Nc3cc(C)ccc3C)NC2=O)cc(Br)c1O 2313514013 KDQPDKKYFSAJJZ-UHFFFAOYSA-N 433.327 4.672 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Sc2ccccc2Br)OC1(C)C 2317226798 OGEHHWUXGYGTIN-UHFFFAOYSA-N 426.572 4.948 30 10 IJEE CCC[C@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317308843 MYYAWQIYILSAEA-KAUXGEHWSA-N 431.386 4.832 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CC(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317358676 PZPOAFLGBHOZFL-VAWYXSNFSA-N 429.370 4.584 30 10 IJEE CCOc1c(C=Nn2c(SCc3ccccc3F)nnc2C2CC2)cccc1OC 2320856261 YMEMQYWHLYKNBC-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCC(=O)N(CCC)CCC)cc1 2321031490 ZZNYYBZRBUMEQI-UHFFFAOYSA-N 445.633 4.642 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2321856502 NZVMXFVOXBTTSY-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CCCOc2ccc(C)cc2)ccc1OC(C)C 2322166900 QRSHRMUSIYQKOZ-UHFFFAOYSA-N 440.569 4.565 30 10 IJEE CCCCOc1ccccc1C=NNc1cnn(-c2ccccc2)c(=O)c1Br 2322638214 RJFCLUNPLUGXAM-UHFFFAOYSA-N 441.329 4.620 30 10 IJEE O=C(C=Cc1ccc(OCCCO)c(Br)c1)c1ccc(Br)cc1 2323583739 PQQMYKZUFFPSTP-UHFFFAOYSA-N 440.131 4.869 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2325504120 CQMFKXHJYAWPGB-NCFAEFNUSA-N 442.600 4.992 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325652665 YQIXJOHXKRXZHE-UHFFFAOYSA-N 449.503 4.544 30 10 IJEE N#Cc1ccc(CSc2nncn2N=Cc2ccccc2OCc2ccccc2)cc1 2326673300 YXVYKFSEPHZDRO-UHFFFAOYSA-N 425.517 4.903 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(OCC)c1 2326733595 MOMOBVXSLNYDFK-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cc(Br)ccc1F 2328813957 FDYUTRZDSSDTMR-UHFFFAOYSA-N 449.349 4.980 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccc(C)cc3C)nnc2SCC)cc1OC 2328890531 JJPOJYPPOPHFDN-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)Nc4cccc(F)c4)ccc3C2=O)c2ccccc21 2329898330 CMQVWFNUMHHVID-UHFFFAOYSA-N 442.446 4.951 30 10 IJEE Oc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C(F)(F)F 2331163268 PFICBQMDUXWSDS-UHFFFAOYSA-N 430.814 4.970 30 10 IJEE COCc1nnc(SCc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2331592122 PDBZLNBOOXNWHU-UHFFFAOYSA-N 425.945 4.744 30 10 IJEE COc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1cnccn1 2331645347 IXOCFDPQJHYGAM-UHFFFAOYSA-N 446.503 4.843 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339586442 FZSFHJJACQPINF-REWPJTCUSA-N 433.405 4.906 30 10 IJEE C[C@@H]1[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339601791 BAKRUIKEEKSDNR-WXVNRZFOSA-N 443.397 4.926 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2360196957 BSCBMODTWAWCKZ-IHPCNDPISA-N 435.406 4.862 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c1 10333591 YHRITHLDQPZQEU-UHFFFAOYSA-N 432.545 5.000 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)c1 31849896 ANASRVSHEDAPBY-UHFFFAOYSA-N 435.597 4.800 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(F)c2)Nc2ccc(OCC)cc2)c(C)n1 32972768 BVDQBBULOFLAPF-UHFFFAOYSA-N 437.519 4.537 30 10 IJEE COc1c(I)cc(/C=C2/Sc3ccccc3C2=O)cc1[N+](=O)[O-] 33850159 FTFHGKOWBLHERV-RIYZIHGNSA-N 439.230 4.538 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(N(C)C)cc1 169957039 KTUJETKEDMIJJQ-XMMPIXPASA-N 448.563 4.981 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C)o2)cc1 170100264 WXWZEOUXZWKSEH-QHCPKHFHSA-N 431.488 4.938 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)cc1 170101499 UBYHMZCNISMOTL-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170114384 BTPKIPYWZVXMSA-JOCHJYFZSA-N 447.487 4.692 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)c1 170183045 KUGQTXWMGLAOAX-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccnc1)c1ccc(Br)cc1 170194180 UGYDKOCALCKCDZ-LJQANCHMSA-N 441.325 4.755 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(O)c(Cl)c1 170219858 XPLSMUKWTVROAY-YEJXKQKISA-N 441.911 4.747 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1 170229763 YPTGWFDOBUDTFK-WMZHIEFXSA-N 449.547 4.750 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)c1 170231035 VHYPZPGDZMGMSS-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)c1 170283548 WPIKDQFTEXZXGZ-JOCHJYFZSA-N 433.460 4.803 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)ccc1Br 170291961 JHRYHGIULFWISW-SFHVURJKSA-N 442.265 4.722 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1C(C)(C)C 170291968 UGMGRYSUWVCXPI-OAQYLSRUSA-N 435.476 4.957 30 10 IJEE CC[C@H]1NC(=Nc2ccc(Br)c(I)c2)S[C@@H]1C 395411516 DEJNFBCOAIVTMR-RDDDGLTNSA-N 425.133 4.545 30 10 IJEE CC(C)[C@]1(C)CSC(=Nc2ccc(Br)c(I)c2)N1 398509288 LVWAVARQUKNIPM-ZDUSSCGKSA-N 439.160 4.792 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Cn2cc(-c3ccccc3)nn2)cc1Cl 474176329 LJWLHNLHUCQZBW-NRFANRHFSA-N 427.895 4.893 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 480105840 MDVXNRHZRRLMLF-HNNXBMFYSA-N 431.462 4.813 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc(-c3cccnc3)cc2)nnc1-c1ccco1 481869017 OFNJYYIVMBESKS-UHFFFAOYSA-N 445.548 4.585 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 526772171 DZEYZIBFQITACC-JOCHJYFZSA-N 448.906 4.895 30 10 IJEE COc1ccccc1Nc1nc2sc(C(=O)Nc3cc(C)nn3CCC#N)cc2s1 540507228 DPRIWCYDFDZGDI-UHFFFAOYSA-N 438.538 4.781 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc(C(=O)OCC)cs1 610153070 LHZGEXGFMHGFAK-KBPBESRZSA-N 440.443 4.541 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 709482344 PTZBVFNWGKOGEK-QYWGDWMGSA-N 434.541 4.606 30 10 IJEE Brc1ccc(I)cc1N=C1N[C@@H](C2CCC2)CS1 717649948 QIWSVVGSLGTGQU-GFCCVEGCSA-N 437.144 4.546 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C)ccc1Cl 727736897 QYPJTBWQCMVQFR-CXAGYDPISA-N 439.364 4.513 30 10 IJEE CC(=O)CCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 745312967 GFKAIEMQPPMVFH-KRWDZBQOSA-N 440.471 4.865 30 10 IJEE COc1cc(C)c([C@@H](C)NC(=O)CSCc2cc(Cl)ccc2OCC#N)cc1OC 762811493 GTBLMHXQXNBXRS-OAHLLOKOSA-N 448.972 4.679 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)NCc1cccs1)=C(/O)c1ccc(C#N)cc1 777511824 AOSZOAUILLJRCX-UHFFFAOYSA-O 442.973 4.576 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(Oc4ccccc4)CC3)n2Cc2ccccc2)cc1 802259583 WTKZPVYBOFXOON-UHFFFAOYSA-N 435.531 4.913 30 10 IJEE C#CCOc1ccccc1-c1noc([C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)n1 809395565 MXFXUVUAMKKWLZ-HJNYFJLDSA-N 427.504 4.895 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(C)=C(Br)C1 812182784 SPAJIDMYKKVMDP-ICSRJNTNSA-N 443.389 4.978 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCCN(c3ccc(C)cc3)CC2)c1=S 917484327 AGGLECFBTNGNBZ-UHFFFAOYSA-N 433.625 4.669 30 10 IJEE COc1cccc(C(=O)CSc2n[nH]c(NN=C(C)c3ccc4ccccc4c3)n2)c1 1083952906 UKDYYCQXKWPWAP-UHFFFAOYSA-N 431.521 4.778 30 10 IJEE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)o1 1084189018 XXYADXQDLMANAB-UHFFFAOYSA-N 434.477 4.696 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1OCC 1084293920 BGGVSADVZOMVDG-OFOOKQEASA-N 439.375 4.725 30 10 IJEE CC(C)c1nnc([C@H](C)Sc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)o1 1084469469 VOCMZWVZPWGXTI-VIFPVBQESA-N 426.333 4.917 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](CC(C)C)N1CCCCC1=O 1125672700 SGAVNTFASTXHMO-IBGZPJMESA-N 439.369 4.530 30 10 IJEE Cc1cc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cc(C)c1Br 1128762626 UKTPPDBJJSHSGE-INIZCTEOSA-N 438.366 4.982 30 10 IJEE C[C@H]1CCc2sc(NC(=O)CCCN3CCN(c4ccccc4)CC3)c(C#N)c2[C@@H]1C 1129354948 CPNAPGWQQUOWFB-RBUKOAKNSA-N 436.625 4.846 30 10 IJEE C=CCc1cc(C(=O)N2[C@H](CNC(=O)OC(C)(C)C)CC[C@@H](C)[C@H]2C)cc(OC)c1OC 1131578134 YRVBIAGQXSBXPC-HLIPFELVSA-N 446.588 4.586 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccn2c(I)cnc12)c1ccccc1 1153523330 FLSBFTKKUJQMRQ-QGZVFWFLSA-N 445.304 4.766 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1OC 1154571317 HQLMMNJWMDEHER-FSNDINTDSA-N 431.891 4.666 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1nc(Cc2ccccc2Br)cs1 1216109965 DTDZYFDCNKVBLC-WMLDXEAASA-N 436.375 4.599 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 1216743529 APANMJNGSDRGGL-LJQANCHMSA-N 427.342 4.994 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1F 1252478593 DNQSPAIMYYFPGN-RTBURBONSA-N 440.824 4.955 30 10 IJEE C=CC[C@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1)c1ccccc1 1264229019 OEDAZQSRYJOSRA-NRFANRHFSA-N 439.508 4.916 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1coc(-c2cccs2)n1 1286296601 QMBUGJJMFQIMGY-HNNXBMFYSA-N 437.956 4.745 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286357641 XPQCKDPDUKPYAF-HXUWFJFHSA-N 428.527 4.759 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1286371512 USQAHRMSVQQMNG-UHFFFAOYSA-N 445.741 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCc2ccccc21 1286424778 KJCQCXBNMCHJAO-FQEVSTJZSA-N 429.955 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOCC 1286551528 MHLWRQWVRCBCFI-SVMVAKDDSA-N 444.645 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CCc1sc(C)nc1C 1286582865 GVUCOSDZIANBTA-UHFFFAOYSA-N 429.565 4.715 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC[S@](=O)C(C)(C)C)CC1 1286638696 JNPOMEHBKKIJQU-HKBQPEDESA-N 437.613 4.505 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2c(CC)nn(C)c2CC)CC1 1286656174 QRJHLIGJMVDQQT-UHFFFAOYSA-N 432.616 4.817 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1286703723 QXQAWBXFWFSKOC-ZCYQVOJMSA-N 448.615 4.710 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCO[C@H]1C(C)C 1286721062 YRNFGNBCWHWIBN-KSSFIOAISA-N 437.357 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC1CC(F)(F)C1 1300292508 YYDQPOHARZHWND-INIZCTEOSA-N 432.515 4.636 30 10 IJEE C#CCCCCn1c(N(C)[C@H](C)c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300372200 BMWBYAJZIMVFNN-QRVBRYPASA-N 441.576 4.643 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccco1 1300972097 JAUNNGWLFSDWKJ-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1301135016 RBGPOTJLYZDNCI-DHLKQENFSA-N 436.600 4.803 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COCC)C1 1301197932 SNVNZHYJRVUDPJ-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)cc(F)c1 1301261533 HPMCPFCOUHQMSJ-NHCUHLMSSA-N 448.558 4.704 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)c1ncc(C)s1 1301405657 VFMISWFSFWQACD-OXJNMPFZSA-N 437.569 4.538 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(C)C 1301534546 BWPVKAWAFQDKAC-IFMALSPDSA-N 426.605 4.902 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1301600829 JQWFUGQZYLNGRJ-KRWDZBQOSA-N 442.589 4.656 30 10 IJEE CC[C@@H](CO)N(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)Cc1ccccc1 1307603248 HNTPXFGMESUQGZ-QFIPXVFZSA-N 436.600 4.693 30 10 IJEE C=CCCSCCNC(=O)N1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC 1312977795 RZDOKQHWJZTENO-SFTDATJTSA-N 433.618 4.517 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1cncc(C)c1)c1ccc2c(c1)OCO2 1349398106 JQHVXCLIMHQAII-FLIBITNWSA-N 428.488 4.930 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(Br)cc1F 1351509631 HFGLQEKWQBVDOW-HNNXBMFYSA-N 428.302 4.504 30 10 IJEE C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1352479149 ANFJDMBYWDWDDQ-NPMXOYFQSA-N 434.879 4.958 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCN2c3ccccc3Sc3ccccc32)c1 1356026194 IOQJBIUGXPZCGE-UHFFFAOYSA-N 441.556 4.758 30 10 IJEE C#CCN(C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C1CCCCC1 1357291237 MCYYOKLIFUCVLG-UHFFFAOYSA-N 437.380 4.977 30 10 IJEE Cc1cc(C(F)F)n2ncc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2n1 1357861973 CKQJXNDGBNAGQM-UHFFFAOYSA-N 449.436 4.829 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1358969030 FMXNPOGSYYLYDL-LSQMVHIFSA-N 448.611 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(F)cc1 1358987868 VNWJTZYGTHMDIA-LJQANCHMSA-N 446.595 4.976 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCOC(C)(C)[C@@H]1C 1359051051 KPUFACYWVKQPNT-IRXDYDNUSA-N 444.670 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(Br)cc1 1359099868 UJJRIYUPRNKTBT-WIYYLYMNSA-N 447.421 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CC)CC 1359102588 CXPFNWXZTHHAEH-CVDCTZTESA-N 426.605 4.982 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1359118917 KXTMMWDHISCZSA-UHFFFAOYSA-N 435.538 4.893 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](COC)C1 1359189701 SELHLKPXWZSIMS-SIKLNZKXSA-N 440.588 4.646 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H](C)c1nccs1)c1ccccc1 1359195720 QOFDRWSWKPZTHY-HMXCVIKNSA-N 437.613 4.838 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359212131 AUGPGQOWPFOXHZ-HXUWFJFHSA-N 439.604 4.995 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN(C(C)C)C1 1359232346 RZJRZGZSBSQMAV-RBUKOAKNSA-N 432.012 4.814 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCn1cc(Cl)cn1 1359256754 PERVRCZABZIKEE-UHFFFAOYSA-N 449.990 4.625 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)C(C)(C)C 1359260814 OSMMKIRJUMESJK-TZIWHRDSSA-N 430.568 4.565 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1Cc1ccc(OC)c(Br)c1 1359271029 JIOWTGXNTDUJQJ-UHFFFAOYSA-N 431.378 4.934 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccc(F)cc1F)C1CC1 1359284061 NURGWMVXPVFWSF-UHFFFAOYSA-N 448.315 4.679 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Br)cc(I)c1 1437612666 AWSCQEBGCJEJSB-ABAIWWIYSA-N 448.142 4.918 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 1441730261 ZWBKXDYZFPHBOB-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(Br)cccc2[nH]1)c1ccc(Br)cc1 1450276295 SNTUBSHLNPIMKY-OAHLLOKOSA-N 432.115 4.797 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1CCC(=O)OC(C)(C)C 1460276357 DAMRQYRFHUIEQD-RTBURBONSA-N 445.629 4.996 30 10 IJEE COc1ccc(CNC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1C#N 1461816716 AOIKLYMKEGLIFS-FQEVSTJZSA-N 428.458 4.805 30 10 IJEE C#CCN(C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)[C@@H]1CCCc2ccccc21 1463014875 JTHDZUQFRQOLPN-JOCHJYFZSA-N 431.463 4.511 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 1464535641 AXVXOUFNCLNEIK-AWEZNQCLSA-N 440.412 4.805 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccn(-c2ccccc2C(F)(F)F)n1)C(C)C 1466905234 GVRRTUXFCNOQBC-IBGZPJMESA-N 435.494 4.711 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc(I)c(Cl)c2)cc1OC 1472194239 JGJXXUDIKVZTEN-UHFFFAOYSA-N 443.668 4.770 30 10 IJEE C#CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br 1474905952 PPXIEFRHTKFQLC-UHFFFAOYSA-N 425.175 4.713 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)cc1 1478374473 LACYJKIRQSLKKL-IBGZPJMESA-N 426.516 4.688 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1 1478806082 JHQWTLMMFFXONY-DXBBTUNJSA-N 427.589 4.509 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)CC[C@H]1C 1507580472 FWYAGHNTQCDPNP-HZPDHXFCSA-N 431.378 4.754 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OC)C(C)(C)C 1507663032 QWJBPKLCYZUBGA-AVRDEDQJSA-N 438.641 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCCC 1507772160 HWSHVSGQHLFEBQ-XMMPIXPASA-N 429.609 4.575 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1507838277 ORAPPWXZCZLQHE-NRFANRHFSA-N 440.979 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507913394 YGXHHLMREIKLRC-NRFANRHFSA-N 438.616 4.878 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1507928227 CKYJAOQOFPWRSL-ROUUACIJSA-N 429.996 4.700 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](COCC)C1 1507943464 YNYVNKKKTRNHAJ-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](CC)C1 1507947314 BNTQURBMHFWRPF-MOPGFXCFSA-N 449.665 4.691 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1507957378 HBDSVFSJCLNLAU-GOSISDBHSA-N 441.526 4.876 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccco1)N(CC)CC 1507975371 PDMKHOWIROGNSC-JOCHJYFZSA-N 430.556 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC1CC(F)(F)C1 1508026920 JWSNZIPKISQCNA-UHFFFAOYSA-N 433.890 4.867 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1508111652 HORUBZNUNBXIFO-YPAWHYETSA-N 438.616 4.956 30 10 IJEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CC(OC(C)(C)C)C1 1512248117 BKJNXJVVZAZFHG-NLMOZGTASA-N 437.588 4.701 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CCS1 1513599315 AXRBUCNMWTVLTI-GHTZIAJQSA-N 439.629 4.601 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1513982780 AEUGWWBCBZXUSQ-GECPAALWSA-N 434.632 4.810 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1517408486 CUSBWYJHGGQPEW-VXKWHMMOSA-N 434.632 4.810 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1521590565 QDDLTCIFXGGXAA-UTKZUKDTSA-N 437.462 4.732 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 1523504980 SWRKGWKCINBELP-UHFFFAOYSA-N 436.361 4.740 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](C)Oc2ccc(Br)cc2)cc1OC 1523562034 CMRKQRQCFFJBQV-VDTUPGDHSA-N 446.341 4.619 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC(c3ccc(Br)cc3)CC2)c(OC)c1 1524212214 CMFGJBARCGNXJW-UHFFFAOYSA-N 444.369 4.971 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(Sc2ccncc2)cc1 1526438667 DRPQJLKAENBECZ-UHFFFAOYSA-N 440.322 4.884 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C 1531576240 VFKZQQPQUKQXSM-OAQYLSRUSA-N 440.515 4.682 30 10 IJEE C=CCN(CCc1ccco1)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 1535163855 XHZZYNGVZXJRSL-LJQANCHMSA-N 447.963 4.850 30 10 IJEE C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](C)CN1Cc1ccccc1 1535469875 DMBYOJLXHXGOAW-FGZHOGPDSA-N 439.559 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1csc(C(C)C)n1 1539024560 WPSFEWCBJOPIAV-QGZVFWFLSA-N 432.597 4.631 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H]1CCCCO1 1539052871 VTOBNKTZORPEPX-IBGZPJMESA-N 445.405 4.825 30 10 IJEE COc1ccc([C@@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(OC)c1 1539825758 DFUBTYCMXKUSIX-MRXNPFEDSA-N 441.959 4.713 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCSCC)CC1 1539896014 DWUXATBVUOJOSH-IBGZPJMESA-N 449.665 4.896 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1539981499 JKBBBTLIXBORCI-HNNXBMFYSA-N 427.902 4.638 30 10 IJEE C=CC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 1540091613 YTOZDJYLFZTRAY-IBGZPJMESA-N 432.973 4.806 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1csc(COC)n1)C1CC1 1540101820 MUABQBXVJYZWPK-UHFFFAOYSA-N 433.940 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C)nc1 1540139577 BAKSFFOIRCQDTP-UHFFFAOYSA-N 446.536 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCC(C)CC1 1540147117 NVNSPZRYTPGIOH-LEWJYISDSA-N 443.661 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@H](C)C1 1540148512 YDWPWBQSHMCDEZ-QZTJIDSGSA-N 428.627 5.000 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCCC1(C)C 1540179928 DKQFJRKIJWROFW-MHZLTWQESA-N 445.611 4.825 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(CC)Cc1cccs1 1540879616 JPQDVNLZIHXPCP-UHFFFAOYSA-N 433.581 4.985 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCSCC=C)C1 1540885293 FYSNRPINZLEAAF-IEBWSBKVSA-N 444.670 4.832 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cc(C(C)(C)C)no2)C1 1540888144 LAUIOBWGYYWWDB-INIZCTEOSA-N 441.963 4.714 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCC2)C1 1540910624 FBHZVYJJOIXFCS-UHFFFAOYSA-N 439.412 4.930 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 1542132622 RBGQZXAXGOETJP-GHTZIAJQSA-N 443.588 4.889 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)C1 1543765564 HRFJNQHVKGLKBJ-IAGOWNOFSA-N 436.947 4.569 30 10 IJEE C=C(Cl)C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)OCC 1544338367 CJCGUJIEGWHWDK-HNNXBMFYSA-N 445.730 4.772 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 1546205219 IFTLQKRPHIETTE-HXUWFJFHSA-N 449.913 4.938 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)cc1 1562265105 RBQWBAVGFQLYQU-DEOSSOPVSA-N 447.579 4.916 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 1562528492 MHTCXRCULYGPIS-LJQANCHMSA-N 441.597 4.798 30 10 IJEE CC(C)(C)[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccc(F)cc1F 1564354687 BHJGBYDWJAIVEQ-NRFANRHFSA-N 430.474 4.595 30 10 IJEE C#CCN(CC(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1)C(=O)OC(C)(C)C 1583848237 OCAJYSDZZHUVRS-UHFFFAOYSA-N 436.552 4.891 30 10 IJEE Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1-c1ccccc1 1584345044 DECXDRPVIWPDOB-SFHVURJKSA-N 430.895 4.574 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1585881774 IZYUOLGVDJYBAL-MRXNPFEDSA-N 425.326 4.577 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)CCCN1C(=O)OC(C)(C)C 1586853368 FOSKWWMELNQXJB-BCHFMIIMSA-N 449.551 4.844 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cn(CCCC)nc1C 1587568671 RLALEFFXWZAARD-FQEVSTJZSA-N 430.600 4.559 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1587807465 DLVCTPVMKQGMKS-APWZRJJASA-N 431.378 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCCCCC1 1588198340 PHZZXRPAMBLQFS-UHFFFAOYSA-N 432.612 4.791 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)CN1CCCCC1 1589150818 LUUQPMKIBGJHME-RWCIVJTCSA-N 433.644 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1589559452 RPOFACZQDMFDII-IMSXRSKXSA-N 438.616 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)(C)CC1 1589568602 LGDQWQXMHKWDIW-GCJKJVERSA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1589701301 XKHBXZQIVOSAJZ-MOPGFXCFSA-N 448.036 4.548 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C)COC)CC1 1594209472 XNOLICINIQNJLY-HNNXBMFYSA-N 433.394 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1594527778 BFCZTFPHKMRMLX-OALUTQOASA-N 449.640 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3cccc(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1594528277 HXNVZYGLJCUZKO-BKMJKUGQSA-N 438.616 4.835 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1594651446 LOFPZCNYBYRJRC-HYBUGGRVSA-N 442.629 4.619 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1594858147 XDALRQREESPHPP-AVRDEDQJSA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCSC1 1595084513 KCGMNXICJLHYNU-FQEVSTJZSA-N 440.638 4.885 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H]1CCO[C@@H]1C(C)C 1595134213 VJWJFIJZXSFGIW-RCZVLFRGSA-N 449.574 4.657 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)Cc1cccs1 1595367072 YTUOITBRIGCHCG-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1595838455 SXGYLIBPZYCKMT-CTNGQTDRSA-N 439.629 4.835 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@@H](C)[C@H]1C 1595860406 NUESVLZVCZZONX-SJORKVTESA-N 425.627 4.743 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(Nc3cccc(C)c3)c2C)c1 1596181496 QXWOYPGODLSUBS-UHFFFAOYSA-N 435.549 4.764 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)cc(OC)c1OC 1596698593 CFRINCDQCKYGOG-HXUWFJFHSA-N 431.536 4.842 30 10 IJEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1613100682 CKNFPGMYCVALAK-SPLOXXLWSA-N 436.387 4.789 30 10 IJEE CC[C@@H]1c2ccsc2CCN1C(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1614569359 BHANZKVGFZWBRC-OAHLLOKOSA-N 443.981 4.699 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc2oc(O)nc2c1 1623029795 FWZWGXXMENYTOD-UHFFFAOYSA-N 428.448 4.614 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)c1ccccc1 1623073620 YUMSXGAQZALEON-QFIPXVFZSA-N 427.570 4.689 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 1624745238 KLYGZYDLJCHDQG-KRWDZBQOSA-N 438.952 4.991 30 10 IJEE COc1cccc(CC2(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)CCCCC2)c1 1628894973 HTLKEDZWNWXCEH-VWLOTQADSA-N 431.580 4.597 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(C(F)(F)F)cc1 1632892376 DLLUCVOZKDECIO-IEBWSBKVSA-N 436.453 4.825 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1635342392 DHUHRYUEJCUOQB-ZDUSSCGKSA-N 438.380 4.818 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 1636099276 YJIXCOIBJPWTLX-QFIPXVFZSA-N 441.616 4.997 30 10 IJEE C=CCCSCCNC(=O)N1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 1636743582 KNFWEDGHCAXPGN-IBGZPJMESA-N 440.451 4.537 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2sc3c(c2c(=O)n1CC(C)C)CC[C@H](C)C3 1640703033 LGLABHYIMQTCCR-INIZCTEOSA-N 445.654 4.532 30 10 IJEE N#Cc1ccc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(F)c1Br 1642531391 RTZDERRCPVHZHE-UHFFFAOYSA-N 428.349 4.952 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(OC(C)C)c(Cl)c3)nnc12 1643374000 STKMMJXBJMJKKS-UHFFFAOYSA-N 440.956 4.963 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C 1643583210 QISRMHYMKOAEBQ-KBPBESRZSA-N 430.467 4.692 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC=CC1 1644494641 JARWBGYJRBNXBM-QHCPKHFHSA-N 436.939 4.871 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccc(OC)cc3)cc21 1648045975 KXYPPRCICPUVOX-UHFFFAOYSA-N 444.466 4.875 30 10 IJEE CO[C@H](C)c1nc(CN2CCCN(c3c(C#N)cnc4c(Cl)cccc34)CC2)cs1 1651592397 ALZUVWVZKNGVAS-OAHLLOKOSA-N 441.988 4.636 30 10 IJEE C=CCn1c(SCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccccc1OC 1651596593 HFJVXAGZSCUEJO-QGZVFWFLSA-N 444.601 4.879 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nc2ccccc2c1=O 1651611592 QXZQFWQWNBIRPY-SFHVURJKSA-N 446.359 4.787 30 10 IJEE C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@H](c2cccc(C#N)c2)C1 1653156916 CJLBMCNFHWPFEW-YJYMSZOUSA-N 437.849 4.631 30 10 IJEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1 1655372009 FHXVKGPJRQAFRL-UHFFFAOYSA-N 427.909 4.623 30 10 IJEE C=CCC[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccc(C(F)(F)F)cc1 1661029241 WKCOAYMWYIESHU-IBGZPJMESA-N 426.435 4.843 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1)C1CCOCC1 1661191109 BKWFSYSRYZHMSJ-IBGZPJMESA-N 447.304 4.930 30 10 IJEE C#CCN(C(=O)Nc1nc(CCC)cs1)[C@@H]1CCOc2ccc(Br)cc21 1669881489 RMQCLZCOCIGFLH-MRXNPFEDSA-N 434.359 4.849 30 10 IJEE CC[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)Oc1cccc(Cl)c1 1670148309 AJLXYAHCUNWREN-SFHVURJKSA-N 445.922 4.761 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2nc3c(OC)cc(Br)cc3s2)cc1 1673666194 IPPWUEWSHDAKQA-UHFFFAOYSA-N 448.342 4.954 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccccc1 1680915919 ZTAHIMWDAAVZRA-MOPGFXCFSA-N 425.495 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1nccs1 1689863584 XBPHEPOFMTWQGG-ZWKOTPCHSA-N 437.613 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1690212984 XXSNOFKPOXGYHE-WXVAWEFUSA-N 449.643 4.668 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](COCC)C1 1690330481 IEVFWAIEIDNHAV-HXUWFJFHSA-N 439.991 4.968 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 1690344336 PVCGMPCYCMGRQQ-KURKYZTESA-N 436.000 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690422625 UUPVZPQAEUQZHA-HXUWFJFHSA-N 432.616 4.730 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1CCO[C@@H](C)C1 1690519855 AAVMBSMLPAUMTL-GJZGRUSLSA-N 437.357 4.674 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccsc1)N(CC)CC 1690520327 RGXSTQUAUIVWSI-SFHVURJKSA-N 431.009 4.760 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C(C)C 1690581095 KSNMGHKEKLWTHN-OFVILXPXSA-N 431.669 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1690599069 LOFNKVCVAFDHMX-HYBUGGRVSA-N 448.640 4.587 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CC(C)(C)C2)C1 1690686607 QNNGHKVIBWYYHX-MJGOQNOKSA-N 428.552 4.775 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1705509718 JDDLIZWPDHGXQY-SPEDKVCISA-N 442.991 4.879 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Br)s2)n1C1CC1 1705619526 UEYAVPZITJHLJP-UHFFFAOYSA-N 431.334 4.883 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1705740928 BOKHVAUKCZQSPF-SLYNCCJLSA-N 439.604 4.854 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705749373 VEPWUKNDEFSZHI-KRWDZBQOSA-N 434.327 4.525 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)CC1 1705772149 KESNCZCVKWMPAF-UHFFFAOYSA-N 433.581 4.924 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705803166 HPGZTPVOGPWSSK-TZIWHRDSSA-N 439.604 4.959 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(C)C)C1 1705803584 VZVQVLWKSXTMTJ-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705813721 RJAAGEUPUXUSNN-CXAGYDPISA-N 444.885 4.729 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCSCC)C1CC1 1705856619 ZFVHWJOHGNINER-SFHVURJKSA-N 435.638 4.648 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC=CO1 1705857526 GUQDEZOTBQXHDI-QFIPXVFZSA-N 436.581 4.824 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCN1CCCC[C@H]1CC 1705859375 QKGYPPCLKVPFOS-HSZRJFAPSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1CCN1CC=CCC1 1705868551 SAXFUDMTMSYMCY-UHFFFAOYSA-N 433.625 4.693 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](CC)C1 1705895565 LGPPWHOIRBXGSN-HNNXBMFYSA-N 444.004 4.742 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(c3cccs3)CC2)cc1 1705910123 RXABOALONLBUSN-IBGZPJMESA-N 437.613 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722278137 PBNCMMKYWWUWDJ-XKGZKEIXSA-N 446.542 4.846 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)c1nccs1 1722312210 YPBQBQYCLKRAHN-SFHVURJKSA-N 430.581 4.993 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1csc(CC)n1 1722323617 GFSUUUXGDDWWFD-INIZCTEOSA-N 427.549 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)NC(=O)OC(C)(C)C 1722503781 CQJAYAACUHBHED-UHFFFAOYSA-N 443.592 4.659 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1722534024 GGMPCXPYERLJIH-QHCPKHFHSA-N 427.618 4.553 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1722577690 NSVMMDUKLUNOIO-FPOVZHCZSA-N 430.980 4.616 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722602718 IAMKJIRJPJBGFG-KRWDZBQOSA-N 431.993 4.933 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1ccccc1 1722610027 KOPARARDSPEWDZ-UHFFFAOYSA-N 430.350 4.517 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@H]1CCN(CCC)C1 1722657100 QUBBFOKXOZLGNK-HSZRJFAPSA-N 432.616 4.732 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)S[C@H](C)C1 1722707799 ZHQJHHFPMWLKSJ-KDURUIRLSA-N 435.597 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@@H](C)C1 1740532725 LCDFADFSGXXQHT-LWYYNNOASA-N 445.007 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)C(F)(F)F 1740545532 NSLWPAIHMSRNKS-LBPRGKRZSA-N 429.284 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1740547579 YCKJTCIWTIAEFQ-ILZDJORESA-N 442.489 4.882 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccc(C)cc1 1740578886 MUSMXQWWQGEJLJ-DHIUTWEWSA-N 438.616 4.824 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(COC)cc1 1740633535 LBQFTCBINKIZEC-UHFFFAOYSA-N 444.604 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCSC(F)(F)F 1740728877 QLGXPEVFOZPWGE-HXUWFJFHSA-N 433.503 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccoc1C 1740756682 QPDVTBCLGLYIMG-QUCCMNQESA-N 427.936 4.513 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740844976 ZQBIMFUZWHHSOU-UXHICEINSA-N 430.980 4.585 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)C1 1740996707 QHVLERKIGAJRCS-HKUYNNGSSA-N 432.659 4.896 30 10 IJEE Cc1ccoc1Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N 1742071277 CQCHBWRJFIPNCI-HNNXBMFYSA-N 432.553 4.923 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1cccs1)N(C)C 1748646972 GQDZTPITKNKNAU-PGRDOPGGSA-N 444.608 4.624 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(CC)[C@H](C)C1 1748724597 WRADBJNJSMPGHM-JOCHJYFZSA-N 437.632 4.623 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(F)c1 1748832946 BRVYMRTVXWBBSU-GOSISDBHSA-N 432.568 4.586 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nccs1 1748907100 FVKTYBACRGCWPX-KRWDZBQOSA-N 444.004 4.847 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@](C)(CC)C1 1749024640 XNPIQICUHFLSDH-SFHVURJKSA-N 439.448 4.762 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C)[C@@H]1CC 1749048142 JRJBIKOKNBTCSY-ROUUACIJSA-N 430.643 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@H]1C 1749053092 BGUJUYXXJDYWHU-LPQSXTOPSA-N 442.991 4.615 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749122703 ZLBKOPFGUAHFAP-HRQSHJORSA-N 441.526 4.525 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1cccs1)N(C)C 1749170423 GERAWFHTNSJDKE-SFHLNBCPSA-N 445.677 4.964 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H]1CCCCO1 1749215528 ABPMCKFIHIQNOL-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1749421365 QXXYUOUETDOZTF-LJQANCHMSA-N 442.361 4.580 30 10 IJEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)c1ccc(C)cc1)C1CC1 1749525148 IVMYRWSPMHGEKN-GOSISDBHSA-N 435.597 4.537 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2csc(C)n2)n1CC(=C)Cl 1749529465 DJGIOFPRZOFOFS-UHFFFAOYSA-N 429.977 4.588 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CCN(CC)C(=O)OC(C)(C)C 1749549427 WKEXVPORUDSPGE-UHFFFAOYSA-N 433.622 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC(C)(C)CN1CCCC1 1749552950 LOPZUFOCDVYPLO-HXUWFJFHSA-N 429.634 4.506 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C(C)C)N1CCCC1 1760098663 VVHSTZVWQJVZHI-JQVVWYNYSA-N 444.023 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1760107927 YJAJSBPYBPCKEU-MRXNPFEDSA-N 431.471 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC2CCCC2)nc1 1760115455 GSGDDFGRMJBJCS-GOSISDBHSA-N 449.986 4.745 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1C1CCC1 1760130717 OLCNBJRDUKBIDA-SFHVURJKSA-N 430.394 4.619 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1760133599 JKULTOKJBHDBRZ-IRLDBZIGSA-N 431.584 4.938 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1CC12CCC(CC1)C2 1760252487 GLXCFZAIUDZTPX-UHFFFAOYSA-N 445.032 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC2(C1)OCCO2 1760330164 UQJFQBVGYDAKAL-MOPGFXCFSA-N 444.551 4.503 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1nccs1 1760347270 ORDOXUAZZNKKGL-UHFFFAOYSA-N 431.993 4.921 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@H]2CC=CCO2)CC1 1760385584 XGIVAIAMDHVLGS-OAQYLSRUSA-N 438.572 4.634 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@@H](C)N2CCCCC2)CC1 1760392202 IGYNGCNTJCBPHA-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCN(CC)C2)CC1 1760397644 YVDBRDQNWYLFQL-JTHBVZDNSA-N 437.632 4.779 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1760405232 ULAGYHKRRIEWTG-UHFFFAOYSA-N 449.599 4.817 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N(C)CCc1ccc(Br)cc1 1760438557 JLHAWRIJZOZDOE-SFHVURJKSA-N 433.394 4.580 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H](c1ccsc1)N(C)C 1760478989 BBHIDJJFWASIHU-HSZRJFAPSA-N 446.624 4.974 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760561474 BDVOGGZCQRLMMZ-LPHOPBHVSA-N 449.020 4.532 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H]2CC)CC1 1764433877 CZUMCGFHOUJHGY-FYYLOGMGSA-N 434.632 4.954 30 10 IJEE COc1cc(C=NN=C2S/C(=C/c3ccccc3C)C(=O)N2Cc2ccco2)ccc1O 1772757125 AESUKNNXBZTMBM-KWLSPSLTSA-N 447.516 4.809 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2nc(C)[nH]c2c1 1861454494 QCQFEVDATDWRQG-XMMPIXPASA-N 434.584 4.689 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OC)c(OC)c1 1862419344 TVYGBBMFUHHDNY-NRFANRHFSA-N 445.462 4.751 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862468950 BGDOIZIHOKSAKK-IBGZPJMESA-N 437.293 4.695 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2c(c1)CCCN2C 1862554169 WVKRSEJIDKXVNT-VWLOTQADSA-N 444.575 4.936 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(O)c1 1862735529 MYFIZOZUFXABTN-NYHFZMIOSA-N 444.443 4.640 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cccc3c(-c4ccccc4)[nH]nc23)c(C#N)c1C 1866210927 BMHNQAXCDSYEPG-UHFFFAOYSA-N 430.489 4.901 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(-c3ccccc3)n2)c1 1868355075 XSRSZVIMGWXMEX-QHCPKHFHSA-N 434.503 4.732 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@H](C)c1ccc(Cl)cc1 1868682656 KYASFUAPBGROLL-FDDCHVKYSA-N 442.962 4.901 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccccc2)cn1Cc1ccccc1F 1870601373 FCUVVTCXOHKPJG-UHFFFAOYSA-N 448.538 4.668 30 10 IJEE C=CCOc1cn(CCN(C)C)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1870812640 GIFLQWMQKSYVSV-UHFFFAOYSA-N 427.589 4.546 30 10 IJEE CCCCCCCOc1cn(CC)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1870835752 HQSDGSMXOQNEMD-UHFFFAOYSA-N 432.561 4.855 30 10 IJEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)cc1C 1871251326 YKSXPLWHLIPADT-UHFFFAOYSA-N 431.536 4.564 30 10 IJEE CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(Cl)cc2c1OCOC2)C3=O 1871346670 QLADFQONOYWFJX-UWVJOHFNSA-N 427.884 4.693 30 10 IJEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O 1871350412 FBLWRNMOCDDNAO-HMAPJEAMSA-N 438.480 4.570 30 10 IJEE COc1cc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)ccc3C2=O)cc(OC)c1OC 1871369231 ALRQIDUNAZTSEE-STHZRTOGSA-N 448.427 4.540 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871384357 XLXDKUFPQBNWMG-ODLFYWEKSA-N 436.807 4.787 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O 1871418937 VHMYSGXETFNCQC-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)Nc1ccc(O)cc1 1871442911 OZZKLYUTMGBHFF-NHDPSOOVSA-N 439.826 4.818 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)nc(Nc2ccc(OC(C)C)cc2)[nH]1 1871721868 IIDVALHVQRDBRD-UHFFFAOYSA-N 444.583 4.923 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1871775579 DGQIIKJJPYNBTP-XXBNENTESA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1871780512 PASCGJBQOYKKRT-AWEZNQCLSA-N 427.353 4.587 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 1871814606 XVIQWIAVIWPKPY-IBGZPJMESA-N 440.487 4.608 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871911589 RCNQBMXEYKLUHC-KKSFZXQISA-N 434.627 4.985 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872110296 HHQGFURGZVWOBN-MBSDFSHPSA-N 439.581 4.788 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872157882 QGRPRQLWUJETDH-JOCHJYFZSA-N 429.586 4.765 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872245915 AXIITSRRYBOJOE-MGPUTAFESA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cccs1 1872320510 MSUQMZUPYOYQBA-IBGZPJMESA-N 436.599 4.521 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872525039 UZEUGSZRAMQKKC-JPYJTQIMSA-N 428.598 4.924 30 10 IJEE CCCCCCCCN1C(=O)C(NCCc2nc3ccccc3[nH]2)=C(c2ccccc2)C1=O 1873161781 RQFPVOFLFVDQHE-UHFFFAOYSA-N 444.579 4.836 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2cccc(Br)c2)C1=O 1873228408 OGHFUBLFKURKPG-UHFFFAOYSA-N 425.326 4.951 30 10 IJEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C/c1cnc(N(C)C)nc1 1873501817 QLTBAIYYMYVZGJ-CVKSISIWSA-N 437.617 4.559 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(F)c2)c1 1874452641 GHSSTEAZMBVZMQ-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE C=C(I)COc1cc(Cl)c(C)cc1I 1887062052 CWLVRQAPKVVRRO-UHFFFAOYSA-N 434.442 4.581 30 10 IJEE C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc4ncc(-c5ccncc5)cc4cc3C2)c1 1890760575 QFDVDCZHLHOQDE-OSPHWJPCSA-N 433.515 4.606 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 1922069924 VEFQYNGZUJDTGE-RBUKOAKNSA-N 430.511 4.831 30 10 IJEE C=C(COCc1ccccc1)[C@H](CN(CC(F)(F)F)C(=O)OC(C)(C)C)NCCC 1922076571 GKNZXYDYOOCVGY-IBGZPJMESA-N 430.511 4.927 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)C1CCN(C(=O)OC(C)(C)C)CC1 1922083017 LKIPINUQDUAREN-OZXSUGGESA-N 446.632 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](C[C@H]1CCCO1)NC(=O)OC(C)(C)C 1926782672 RWEQTRFRXLYJDW-ZLNRFVROSA-N 432.605 4.590 30 10 IJEE CC[C@@H](c1ccc(C)cc1F)n1nc(C(F)F)c(/C=N/O)c1I 2078977791 OPIVASBOVHYOCB-TWCVRMSCSA-N 437.203 4.680 30 10 IJEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2118191683 HZSXMWXMVOELOP-STQMWFEESA-N 426.330 4.589 30 10 IJEE CC1(CNC(=O)OC(C)(C)C)CCN(c2cc(Br)c(C#N)cc2F)CC1 2118195535 WWFKTSWIPHDAFV-UHFFFAOYSA-N 426.330 4.591 30 10 IJEE C=CCN(C[C@H](NCCC)c1cccc(OC)c1Br)C(=O)OC(C)(C)C 2142368665 GUGFNRKRZOYJSO-INIZCTEOSA-N 427.383 4.922 30 10 IJEE C=C1C[C@@H]2CCC[C@H](C1)N2C(=O)c1cc(I)ccc1Br 2173985271 YAVCPYQHQMPSGL-BETUJISGSA-N 446.126 4.767 30 10 IJEE Cc1ccc(C(=O)[C@H](C#N)c2cccc(Br)c2)cc1I 2232422801 FPVXJLWOSHPPLL-CQSZACIVSA-N 440.078 4.852 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2235715365 AMBZRQVWBCXJHZ-SJORKVTESA-N 445.348 4.717 30 10 IJEE CCC[C@@]1([C@H](O)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235735047 SHEJVBVSSYFCQR-DENIHFKCSA-N 436.390 4.979 30 10 IJEE CC1(C)CCCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C#N 2243909904 DOTLMUBFWRJHKQ-XMMPIXPASA-N 445.563 4.846 30 10 IJEE C=CCCC1([C@@H](O)Cc2cc(F)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266306907 BSPFGXKPOYZWCW-KRWDZBQOSA-N 428.342 4.695 30 10 IJEE C=CCCC1([C@H](O)Cc2cc(F)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266306908 BSPFGXKPOYZWCW-QGZVFWFLSA-N 428.342 4.695 30 10 IJEE COCC[C@]1(Nc2c(Br)cccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2285178167 AEGTYKVGIMXAHA-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)c(Br)c1)C1CCCCC1 2288193741 SIDBBLZRYDDTQP-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@@H](O)C#CC1CCCCC1 2289615745 HYAXIVWOVSXHIA-UXHICEINSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](O)(C#Cc2cccc(Br)c2)CC12CCCC2 2296231516 FAGVWZSGJKMGBM-JOCHJYFZSA-N 434.374 4.875 30 10 IJEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2300005945 CKVNAZALAJELSQ-RTWAWAEBSA-N 436.557 4.996 30 10 IJEE CCCN[C@H](C#CC1CC1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2315825520 SOBMDXQMNSOZDN-XMMPIXPASA-N 439.644 4.718 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2321981800 RPCRYPNMDONBJU-UHFFFAOYSA-N 445.446 4.581 30 10 IJEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)c1 2322339346 VKTLFIBHUZXJQL-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(OCC)cc1 2322549661 UOMGFCAFHQNGBC-UHFFFAOYSA-N 446.341 4.649 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(N(C)C)c([N+](=O)[O-])c4)ccc3C2=O)cc1 2322975020 VGFFVCCDRBUBKB-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE COc1cc(C=NNc2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1 2323202298 BWUCSFDXENGXBA-UHFFFAOYSA-N 431.452 4.813 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccccc1 2323800668 KYCRRPFJNJDEFE-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2323888857 MLFNBXSYGFDJNN-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(=O)C(C)C)c4)ccc3C2=O)o1 2323908868 DQFQQLNAFKSVPG-UHFFFAOYSA-N 432.428 4.985 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 2324098089 DUUOYTLVVZNXEH-UHFFFAOYSA-N 433.416 4.807 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324683443 FRTSSGGGYKMQKO-UHFFFAOYSA-N 447.443 4.986 30 10 IJEE Cc1ccsc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2C1=O 2325302851 IZQRGMCGTJEPIF-HNNXBMFYSA-N 430.485 4.950 30 10 IJEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)c1ccccn1 2325720097 JPYRGPXKGMHCRC-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2325727311 FORAUDHSFYCAPJ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2325743162 UYDXXFRLXBAAPH-UHFFFAOYSA-N 444.325 4.621 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC)cc1 2328475721 LKBIREDWZOPHBC-UHFFFAOYSA-N 439.541 4.950 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OC)c(OC)c1 2329484026 DJFILPZATVWJSZ-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccco2)c(C)c1 2330705163 NOBCPYINMVPMJY-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)COc1ccccc1 2330977157 UWTSOZXITVVZDG-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2)nnc1C1CCCC1 2331033912 HYXYQBGGIXPMBL-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccs2)c1 2331036085 HCENELPDSRCBQJ-UHFFFAOYSA-N 425.583 4.919 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2O)c1 2331377157 QVISIMKZFZEWPO-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)c1 2331678786 NYZAFNTUYYVJOU-UHFFFAOYSA-N 439.464 4.994 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OC)c2)c(OC)c1 2331728991 AQFIOLLIHDXICK-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE C=CC[C@@H](Oc1cc(Br)nc(CCC)n1)[C@H]1CCN1C(=O)OC(C)(C)C 2335742229 HNYPOXVLWQKRSF-ZIAGYGMSSA-N 426.355 4.525 30 10 IJEE CC[C@@H](NC[C@H]1CCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514042 TZPCCOGBZPVFKR-JWQCQUIFSA-N 434.433 4.691 30 10 IJEE C[C@H]1C[C@@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339601836 BORRVTUMTGLPRW-PKOBYXMFSA-N 444.381 4.751 30 10 IJEE CC1(C)OB(c2cc(Nc3cccc(Br)c3Cl)ncc2F)OC1(C)C 2345716740 ZXTAANWLDRPJHP-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364754179 SCNYZKKZOOAILX-IEBWSBKVSA-N 433.390 4.568 30 10 IJEE CC1(C)OB(c2ccc(COC3CCC(F)(F)CC3)cc2Br)OC1(C)C 2377303509 HAVOPQBCAUVDSS-UHFFFAOYSA-N 431.126 4.843 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)cc2)NCCc2ccc(F)cc2)n1 14156056 OQKUDKHAISXKGG-UHFFFAOYSA-N 440.910 4.718 30 10 IJEE C=CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2 37603070 FWGMAOBVTIYVHE-XNMGPUDCSA-N 448.607 4.975 30 10 IJEE Cc1cc(Br)cc2c1N(Cc1ccccc1OCCC(C)C)C(=O)/C2=N\O 39854007 WRLXQZFSASVJGH-NMWGTECJSA-N 431.330 4.908 30 10 IJEE COc1ccc(/C(C)=N\Nc2nc(SCc3cccc(Br)c3)n[nH]2)cc1 59039296 RAKQQEQBJKHVKB-MTJSOVHGSA-N 432.347 4.704 30 10 IJEE C=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)cc1 66091882 FQHSSBCUCMPCRX-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1COc1nc2ccccc2n1Cc1ccc(C#N)cc1 95085903 JEUCTKZYMKGDBZ-HXUWFJFHSA-N 432.524 4.735 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(F)cc1 100263817 POSVUGJENUGTHQ-ACNSNUFOSA-N 426.300 4.723 30 10 IJEE COc1ccc(-c2csc(N3N=C(C)/C(=N\Nc4c(C)cc(C)cc4C)C3=O)n2)cc1 100341468 SYOBOESVFKCCSC-YYADALCUSA-N 433.537 4.935 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1Cl 102535793 WQNBPKMNINSFJN-LCPUNJGISA-N 438.842 4.509 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 169959696 WSBSYFOXESPRMN-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)c1 170047499 OJFRSFQMKKERRA-JOCHJYFZSA-N 444.443 4.776 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)cc1C 170130415 OALTYASKUYGMNL-NRFANRHFSA-N 435.501 4.549 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2Cc2cccs2)c1 170139251 YBLPONKPJCDESH-QFIPXVFZSA-N 431.513 4.770 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(C)c1 170144112 MKNUYPUKXNKEBZ-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccncc2)c1 170144912 RYTSNNLHCBMRAA-XMMPIXPASA-N 442.515 4.956 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 170145062 IPEWVTDQGFMZHG-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(OC(C)C)cc1 170152185 YIHFPNFOGVSKIU-LJQANCHMSA-N 428.554 4.926 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccn2)c1 170170324 IJIWSCGQYRCVIT-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccn2)c1 170170804 HPGCEHQXELBPMT-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170279248 NKLVGAKYAGGAAY-QFIPXVFZSA-N 427.460 4.610 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)cc1C 170290645 SAFDGEPUYRONEG-NRFANRHFSA-N 439.414 4.966 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1OC 170299633 BYLGJZVBZFEDOV-NRFANRHFSA-N 437.423 4.527 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1ccccn1 170316710 QREPKIZSPHXKHQ-QVKFZJNVSA-N 446.528 4.553 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1)c1ccccc1 170353959 ZYOSQUCNONRBAQ-LJQANCHMSA-N 440.377 4.763 30 10 IJEE N#Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2CN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 170573603 BDFLXAQXPWYXIW-HZPDHXFCSA-N 447.560 4.540 30 10 IJEE CN(C)c1ccc(/C=N/N=C2/S/C(=C/c3cccs3)C(=O)N2Cc2ccco2)cc1 210654216 SOEZIFSBXLTCGY-WLAAGDGTSA-N 436.562 4.914 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1F 438666167 POZORLPPVWZKNN-OAQYLSRUSA-N 444.466 4.585 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)cc1C#N 524046956 SAYNXQZNLQOQNP-QGZVFWFLSA-N 447.560 4.629 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)cc1Br 526808047 AIXXIHRWBPBZSO-YVNNLAQVSA-N 431.359 4.841 30 10 IJEE Cc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)ccc1NC(=O)c1cccs1 536133254 IAALMWOJXOHRMA-UHFFFAOYSA-N 447.516 4.641 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1nc([C@@H](C)OC)no1 555250068 AKUHZMHRKXKPAW-GFCCVEGCSA-N 437.331 4.555 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 608875428 XQBGDODTMZMFFC-JOCHJYFZSA-N 448.910 4.901 30 10 IJEE C=CCn1c(SCC(=O)OCc2ncc(C(C)C)o2)nnc1-c1ccc(Cl)cc1 733376954 FJBARDNEJJYSBZ-UHFFFAOYSA-N 432.933 4.731 30 10 IJEE Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3cc(Cl)ccc3OCC#N)c12 735338258 WWDZRNHNHDRFSA-UHFFFAOYSA-N 446.894 4.857 30 10 IJEE C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 755260491 MQGUWVLRGRJIIS-SNVBAGLBSA-N 445.349 4.744 30 10 IJEE C=CCCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C 756867383 GSJMYXOIHFSSGS-OAQYLSRUSA-N 437.565 4.548 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)Nc3cccc(-c4cn5c(n4)CCCC5)c3)CC2)c(F)c1 795413586 BVDNUVFNSURIIN-UHFFFAOYSA-N 443.526 4.752 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 809893490 PEIPXABTQHBMPH-HJOGWXRNSA-N 432.568 4.578 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c[nH]c4ccccc34)n2)cc1 1083950265 KDPVWKLQUSVWAL-OAHLLOKOSA-N 447.568 4.976 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1OC 1124269790 UMTCOCULLHNUFN-ZQAUEJBPSA-N 440.609 4.924 30 10 IJEE CC(C)(C)OC(=O)COc1cccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)c1 1124828815 CJVASTLLOHNDEG-UHFFFAOYSA-N 432.476 4.719 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1 1125087652 OBBQLWAZALWVQW-UHFFFAOYSA-N 438.524 4.860 30 10 IJEE COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)C2 1125792725 FZLAMDYULZFEGV-IBGZPJMESA-N 448.906 4.989 30 10 IJEE CC(C)(C)n1cc(C#N)c(NC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)n1 1126685544 GHAGWPUTFLFDBT-UHFFFAOYSA-N 433.459 4.828 30 10 IJEE C#CC[C@]1(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CCCN1C(=O)OC(C)(C)C 1126922702 KZJOUJWCSTZQLF-JOCHJYFZSA-N 437.367 4.671 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1128803738 IVLXUQXIKBRTDA-FQEVSTJZSA-N 434.334 4.605 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C)cc(I)c1 1128811297 USTWAAYXOWNGIW-UHFFFAOYSA-N 437.325 4.596 30 10 IJEE C#C[C@H](NC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl)c1ccc(Cl)cc1F 1129735297 LEKGLMVEGUTDLE-SFHVURJKSA-N 434.273 4.929 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccccc1 1134861920 KNXDCUQGSZZTRR-HZAQMHFWSA-N 432.586 4.653 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cc(Br)cc(Br)c1N 1136048256 XXQXQBDMPUGCQB-UHFFFAOYSA-N 430.165 4.684 30 10 IJEE C=CCSCCNC(=O)[C@@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1138175341 NREQWILMVQFTNP-RUZDIDTESA-N 438.593 4.729 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CCCCC1 1140820795 HERBLJNHVUJUTD-UHFFFAOYSA-N 430.545 4.944 30 10 IJEE C#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 1208017577 ZBVKDKSYRVIBOK-QFIPXVFZSA-N 434.948 4.913 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)Nc3ccc(=O)n(Cc4ccc(Cl)cc4)c3)CC2)cc1 1220324491 HNPLENWJDDKJDX-UHFFFAOYSA-N 446.938 4.833 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccccc1Br)C(C)C 1220597382 BUGLZCPCKVQGFE-RTWAWAEBSA-N 434.422 4.994 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCc1ccc(OC)cc1 1221320555 PAJHIHIHXHKPCJ-UHFFFAOYSA-N 435.337 4.927 30 10 IJEE C#C[C@H](NC(=O)N(CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1230505408 QTAVVIBPMOGRPF-LPHOPBHVSA-N 437.943 4.584 30 10 IJEE C#CCN(C(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1)[C@@H]1CCCc2ccccc21 1230590069 SMOVIKWHBYHHPF-RXFWQSSRSA-N 426.564 4.834 30 10 IJEE C=C[C@H]1CCCCN1C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 1270903520 IAKZUTQCRNOSLH-FQEVSTJZSA-N 427.342 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCCN1CCCCC1 1286291145 VZPNMARKVBQUQY-NRFANRHFSA-N 446.599 4.714 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCOC1CCCCCC1 1286439284 UCPKVWATDKZPCX-UHFFFAOYSA-N 445.405 4.907 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1286537481 CWKFNPVPJPFMGR-UHOSZYNNSA-N 431.378 4.811 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCC1CC1 1286628413 HHTQPFWNJPXBAG-SFHVURJKSA-N 438.016 4.772 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(CSC)c2)CC1 1286662190 ADKXPCXBQPXTTQ-UHFFFAOYSA-N 439.654 4.948 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3ccccc3n2)n1CCC(C)(C)O 1286747541 JSVRJLZHLQXVFI-UHFFFAOYSA-N 433.581 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccc(C[S@](C)=O)cc1 1286747977 RPZTXHUZQFQFOM-PMERELPUSA-N 442.654 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCOc1ccc(F)c(F)c1 1286750850 IAVMJOQZRMNVRJ-HXUWFJFHSA-N 446.523 4.741 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)c1cccs1 1286755289 SREMKVMULDEORV-XMMPIXPASA-N 433.581 4.584 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2c(C)sc(C)c2Br)C1 1286801287 XREYSSYKQIGUKA-OAHLLOKOSA-N 439.423 4.672 30 10 IJEE C=C[C@@H](CC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1 1290859595 FNCDUJYYKZDWMU-DEOSSOPVSA-N 439.603 4.985 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)C1 1291102124 HTONPBWLNOTBEE-IBGZPJMESA-N 432.572 4.557 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1297859263 DVCVQRYLXKPMTO-MISYRCLQSA-N 427.643 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CSCCS1 1300925417 VCNPIVQBMWVOCW-IBGZPJMESA-N 432.659 4.671 30 10 IJEE C=C(C)Cn1c(N(C)Cc2ccc(F)c(F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300965024 CHOSLNFLGIFMLO-CALCHBBNSA-N 447.530 4.540 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2(COC)CCCC2)CC1 1301095744 NTFYTONHXDZAQG-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccccn1 1301136794 DIBLXSBHAQCJST-UHFFFAOYSA-N 432.572 4.781 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC=C(C)C1 1301150023 LCLOEMLVAHCIRZ-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301154334 PMSLXJWVMJKRKY-AREMUKBSSA-N 438.616 4.554 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1301240575 CRYZPZXODYAULE-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(C)C1)C(C)C 1301368115 XPWFZNUTAZJNDX-QFIPXVFZSA-N 449.599 4.529 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1301406954 YERQCIJEQJZORX-FQEVSTJZSA-N 443.592 4.594 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1301468705 LRFUBDLBVGTBMC-XZOQPEGZSA-N 437.632 4.751 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1301618216 MWSKFRREJRTUEA-QFBILLFUSA-N 429.461 4.950 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1301964890 FPMRZVWYTSVUMI-OSWQYVSFSA-N 433.604 4.533 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccccc2F)cs1 1306425496 SQJFCCGSUAFAMO-AWEZNQCLSA-N 425.913 4.924 30 10 IJEE C=CCn1c(SCc2cn(C(C)(C)C)nn2)nc2cc(-c3ccccc3)sc2c1=O 1307274055 KZVYXVXQWNOIRU-UHFFFAOYSA-N 437.594 4.950 30 10 IJEE C=CCCN(C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 1307688295 NERQNJNJLXBULJ-UHFFFAOYSA-N 431.989 4.979 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)n1 1308367052 BIXWQCUAMLBPPJ-KRWDZBQOSA-N 426.879 4.706 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 1308828187 MKRJSOQIZLPDKI-KSSFIOAISA-N 425.476 4.527 30 10 IJEE C=CC[C@H](CC)NC(=O)Nc1cc(Br)cc(I)c1C 1311065063 WBCJRBVFDPMFNX-NSHDSACASA-N 437.119 4.838 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(C(F)(F)F)cc1 1312342159 MSEBWTIVAOYPEB-RTBURBONSA-N 433.474 4.788 30 10 IJEE COC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CCC(C)CC1 1315280544 DGPCRCXNBZYGCC-UHFFFAOYSA-N 442.007 4.858 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)c(OC)c1 1358878129 RMIWNQFHMHOYPL-CQSZACIVSA-N 445.386 4.592 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1sc(C)nc1C 1358988545 UDHQWUXKYGCHDL-UHFFFAOYSA-N 431.609 4.827 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1[C@@H]1C[C@H]1CCC 1358988895 HKWDQNKQUUWRMJ-DNVCBOLYSA-N 429.337 4.671 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1359015436 SSCVJNNBYMHATR-OFNKIYASSA-N 437.588 4.510 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(C)(C)C 1359079222 BKHUKTDYBGGBTC-UHFFFAOYSA-N 427.774 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccoc1 1359091742 RIVXDIBHYQLDJH-JUXOCIIHSA-N 440.519 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1cccc(C)n1 1359108411 NEGDDJQMQJYFLW-UHFFFAOYSA-N 427.499 4.895 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1359183252 HATMSHDCKTUTEX-LJQANCHMSA-N 443.611 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(OC(F)F)c1 1359186625 MXLWMUIATOLSEK-UHFFFAOYSA-N 428.487 4.575 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(F)(F)F 1359197696 XNMCYJQYZPXWAO-IYBDPMFKSA-N 445.530 4.794 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359200350 BNZCBADZUVVDCH-IBGZPJMESA-N 427.549 4.783 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1359214356 AQJVXLIKQFGGLJ-AQNXPRMDSA-N 447.624 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCCN1CCCC[C@@H]1C 1359262883 IMDLMJNOYXIYCK-FQEVSTJZSA-N 436.629 4.859 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359284462 QFUOTPARBRRLAL-TXEJJXNPSA-N 429.284 4.760 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CCC(C)(C)C)CC1 1359284716 IUSKWWLWMJEBFA-GOSISDBHSA-N 427.662 4.876 30 10 IJEE C=CCN(C(=O)COc1ccc(C(C)(C)CC)cc1C(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1435069912 UUQCQTNTUHCBFD-HXUWFJFHSA-N 449.657 4.642 30 10 IJEE C=CCc1ccc(OCC(=O)N(C)Cc2cc(Br)ccc2Cl)c(OC)c1 1435885800 UHJJCDVMVKXTEC-UHFFFAOYSA-N 438.749 4.877 30 10 IJEE C#CC[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 1438151051 DLIPLLLRWREIPM-ZOECDYFQSA-N 439.559 4.556 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 1441869041 QVASWOLRHYODLA-UHFFFAOYSA-N 441.380 4.509 30 10 IJEE C=CCN(CC1CCCCC1)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1459481794 JDZODVYZHDXZCM-SFHVURJKSA-N 430.548 4.857 30 10 IJEE N#Cc1cccc(NC(=O)CN2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)c1 1460199467 CYHDOPCEYPPKNB-SANMLTNESA-N 430.596 4.654 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)c1ccc(Br)cc1 1468451119 OKXFGMHZCIZZAZ-AWEZNQCLSA-N 437.215 4.933 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Br)cc1 1468451326 PSHTWZNIMTUGJF-SJORKVTESA-N 437.378 4.569 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1468755269 MIMWRFRXOLHVOE-OAQYLSRUSA-N 445.966 4.850 30 10 IJEE CC[C@H](CO)N(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)Cc1ccccc1 1473734284 HNTPXFGMESUQGZ-JOCHJYFZSA-N 436.600 4.693 30 10 IJEE C#CCN(C(=O)Nc1cccc(CSCC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1476198484 HFEKPWPMQBNSAH-UHFFFAOYSA-N 431.602 4.806 30 10 IJEE CC(C)(C)C(=O)N1CCC(NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1476606446 DXVJKVZPIRAFAM-UHFFFAOYSA-N 436.581 4.868 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2CC2CCC(F)(F)CC2)cc1C 1492232524 DWPCMKNJCZARBO-QGZVFWFLSA-N 444.530 4.711 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(C)(C)SC)cc1OC 1502806011 CEVDPQCHEXRSLO-HSZRJFAPSA-N 443.617 4.624 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C(C)C)cs1 1507517703 RCRIRLGPAMVDDM-JKSUJKDBSA-N 427.549 4.643 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1507559352 QYOHGGNAURTURK-LJQANCHMSA-N 437.588 4.832 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCO[C@H]1CCCC[C@@H]1C 1507606628 SGRVCWXVRHKHHC-ICSRJNTNSA-N 426.630 4.940 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)c(F)c1 1507787143 CIZVITNXVBETOA-UHFFFAOYSA-N 439.329 4.754 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCC1 1507803961 HZWUBJHAXJYIBP-LZNRXBQRSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1507900338 KWVCKYKTPNQAMF-HXUWFJFHSA-N 437.632 4.867 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1507952296 OYWQBTOWOIODNH-VQIMIIECSA-N 431.378 4.965 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C(F)F)c1 1507986520 CAQVMUBIFFBABP-HDICACEKSA-N 447.530 4.657 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(c2ccccc2F)C1 1508021641 OQKQWSZVOKKDJY-HXUWFJFHSA-N 437.588 4.774 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(C)cc1C 1508041635 IKMVGQCCHCWHOL-DHIUTWEWSA-N 440.632 4.695 30 10 IJEE C=CCSCCn1c(N2CCOC(C)(C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1508167965 LUCRSZACQDWHBL-LJQANCHMSA-N 426.630 4.671 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCCCC1 1509918173 GGFJSZUUTZIWFF-LJQANCHMSA-N 432.572 4.872 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2CCCCO2)C1 1510289145 BWOZCDKHRVGDFP-OFNKIYASSA-N 427.980 4.612 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)CC1 1515210812 HQWOEWQKRBNYPL-NRFANRHFSA-N 427.618 4.744 30 10 IJEE C=CCCCCNC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 1523751979 QQQZFJIBFIJZHA-UHFFFAOYSA-N 428.508 4.777 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)CCCc3ccc(Br)cc3)CC2)c(F)c1 1525424196 ADYBXQDNAOOXON-UHFFFAOYSA-N 445.332 4.853 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2c[nH]c3cccc(C)c23)c(C(=O)OCC)c1C 1525887735 QZPMQOCZBPXKSY-UHFFFAOYSA-N 440.521 4.547 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)n1 1527213704 BDAIZLPNTQENDS-UHFFFAOYSA-N 449.308 4.837 30 10 IJEE C#C[C@@H](NC(=O)C(F)(F)c1cc(Cl)ccc1OC)c1ccc(Br)cc1 1528088739 PPDYVQLANGNPTA-OAHLLOKOSA-N 428.660 4.694 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCC(C)(C)F)c1 1531779281 OYTQUXSIBBTJBQ-UHFFFAOYSA-N 438.952 4.589 30 10 IJEE N#Cc1ccc2c(c1)CCN2C(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 1535597059 DBOIQJXDFQUBMW-UHFFFAOYSA-N 431.492 4.631 30 10 IJEE C=CCC[C@@H](C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1536294698 VQEHQBCAXBHHCP-QUCCMNQESA-N 427.342 4.569 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)cc1 1536788052 OVEPKXCDWLFJSH-UHFFFAOYSA-N 427.504 4.908 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2cccc(I)c2)c1 1536870156 BDTIVJDAMLBLTP-UHFFFAOYSA-N 441.268 4.641 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1538643473 VVYSSWRGEICMID-NRFANRHFSA-N 442.581 4.558 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CCC2)CC1 1539078717 FMMVGSNRRVLEKG-UHFFFAOYSA-N 449.643 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(CC)n1 1539559172 XEMWKDBULCZPBX-HSZRJFAPSA-N 440.016 4.776 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1C 1539620133 JMNYXDPDMDNWOM-KHYOSLBOSA-N 449.368 4.817 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1539878212 VXSQDUKYXCKXMB-UHFFFAOYSA-N 438.457 4.681 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@@H]1CC 1540073389 ZXZBDQDGZKYXQU-SLFFLAALSA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1540128247 ZLPODQIEWRJTIG-LJQANCHMSA-N 427.593 4.850 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(CC)C1 1540137841 VVPSXGQFCBQMFN-FQEVSTJZSA-N 439.604 4.604 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CC2(CCOCC2)C1 1540154683 AUDPFPJYOJTXHY-LJQANCHMSA-N 440.563 4.942 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CC(F)(F)c1ccccc1 1540187004 KSGZDPCPTPDNNS-LJQANCHMSA-N 442.510 4.792 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1540909346 FOVWYBOAMXSWHJ-BHIFYINESA-N 426.630 4.602 30 10 IJEE COc1ccc(C[C@@H](C)Cn2c(N3CCC(CC#N)CC3)nnc2C(C)(C)C)cc1OC 1554885216 GLDCVFCDSNPCHC-GOSISDBHSA-N 439.604 4.602 30 10 IJEE COc1ccccc1-c1nc(C2CCN(c3c(Br)cccc3C#N)CC2)no1 1559164418 DCMUVEGSSWSKLK-UHFFFAOYSA-N 439.313 4.763 30 10 IJEE C[C@H]1CN(c2ncc(C#N)cc2Br)C[C@H](c2cccc(C(F)(F)F)c2)O1 1559197226 CMOFIILTGFRIPM-MEDUHNTESA-N 426.236 4.701 30 10 IJEE Cc1ccc([C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)c2ccccn2)cc1 1559807496 FVEMZUZVCJYOCB-MHZLTWQESA-N 449.558 4.987 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1564428742 FTLZUCDHBPJURD-SFHVURJKSA-N 442.585 4.895 30 10 IJEE C#CC[C@]1(C(=O)NCC2(Nc3ccccc3C)CCCC2)CCCN1C(=O)OC(C)(C)C 1569029234 WAOGVAHRBRCKMQ-AREMUKBSSA-N 439.600 4.629 30 10 IJEE C=CCn1c(SCC(=O)N(C)c2ccc(O)c(C)c2)nnc1-c1ccc(Cl)cc1 1587082198 IQIZQLYGXLRHKB-UHFFFAOYSA-N 428.945 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1cccc(C)c1 1587575204 RKGHHHKAPNSGCH-HOTGVXAUSA-N 426.362 4.606 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(C)CCCS1 1588088780 AUGKYPCJDWZGEC-DEOSSOPVSA-N 447.633 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1589543968 DOIFVFCPCJGHHK-HFMPRLQTSA-N 438.616 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=C)Br 1589614784 GOJGBHZUOUGTCZ-UHFFFAOYSA-N 425.758 4.918 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1594202392 ODIIJLIKLJWQJH-HKUYNNGSSA-N 432.515 4.500 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCCc2nc(C)cs2)CC1 1594247886 SEQZYXHYOMJZPA-UHFFFAOYSA-N 442.658 4.824 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncc(CC)s2)CC1 1594430056 HBHNHBQODFATKD-UHFFFAOYSA-N 444.004 4.980 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1594698068 JRMYVFYKZBLYLR-IBGZPJMESA-N 443.592 4.896 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCCN(C(C)(C)C)CC1 1594766782 CWCFAYBVPROGKL-UHFFFAOYSA-N 425.621 4.696 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1nc(C)c(C)s1 1595161766 LGBVWWDZJZONRH-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(Br)c1C 1595169869 ZQHVCJMPBXZRKV-GOSISDBHSA-N 439.394 4.666 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H](C)C#N)C1 1596806394 GLWKDYMWJZQYSE-OTWHNJEPSA-N 429.012 4.562 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2c(F)cc(Cl)cc2Br)c(OC)c1 1597480707 DYTHSGMPYMTRIM-UHFFFAOYSA-N 428.685 4.996 30 10 IJEE Cc1cccc(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)n1 1612219339 FOYWVUWAAVGZKX-XMSQKQJNSA-N 446.599 4.967 30 10 IJEE CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C(F)(F)F)O[C@H](C)C2)CC1 1614423522 HRYKHNLQRDXTFW-QAPCUYQASA-N 433.478 4.553 30 10 IJEE C=C(C)[C@@H](NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1 1616854570 SNHPUDKIZWZRFP-HSZRJFAPSA-N 433.930 4.564 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 1622418478 JIHYQZHHULHSTD-QGZVFWFLSA-N 435.499 4.856 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 1623085381 AEYHXVRMSZXZBE-ZHALLVOQSA-N 425.554 4.623 30 10 IJEE C#CC[C@@H](COC)NC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 1623242286 XOYOXEQNVWBKKV-INIZCTEOSA-N 444.354 4.886 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1623714338 IAYUEUYBJDWBCA-CQSZACIVSA-N 427.526 4.584 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(-c2ccco2)nn1C(C)C)c1ccc(Br)cc1 1624265629 VQZFNCQEHBSOSU-INIZCTEOSA-N 427.302 4.983 30 10 IJEE COc1cc(NC(=O)N2CC3(CCC3)c3cc(Br)ccc32)c(F)cc1C#N 1626517763 DWYWPDNOVNPVTR-UHFFFAOYSA-N 430.277 4.942 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cc21 1627045129 SFHWDNNTGIEOAY-IBGZPJMESA-N 443.334 4.772 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1cccc(F)c1)[C@H]1CCOc2ccc(Br)cc21 1629238051 CXGITALPLGCRQE-IURSYISVSA-N 428.301 4.977 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(=Cc2cccc(OC)c2)CC1 1630926962 OZMMQWKIJFSGPG-HXUWFJFHSA-N 434.964 4.737 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1636557826 TUUHLEODHJCRDB-YKSBVNFPSA-N 445.991 4.980 30 10 IJEE C#CC1CCN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1638866398 XTQPHGFYMYKDGA-UHFFFAOYSA-N 444.575 4.956 30 10 IJEE C#C[C@H](NCc1csc(=Nc2ccc(OC)cc2)n1[C@H](C)c1ccccc1)[C@@H]1CCCO1 1642791583 OLOKSNLFQAMSNH-NGXZDTIWSA-N 447.604 4.670 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2C(F)(F)F)C1 1643207544 IVVUPSIINGYFRR-GOSISDBHSA-N 426.479 4.840 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nc2sc3c(c2c1=O)CCCC3 1643477193 ZXHXDRDKAFNXGV-CQSZACIVSA-N 440.590 4.895 30 10 IJEE C=CCN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)OCC 1645290912 NBFCKFIMCKSKPK-HXUWFJFHSA-N 447.329 4.520 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1648409349 GOHGRJLKRBNTCU-QFIPXVFZSA-N 426.582 4.820 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CCOCC)CCC1 1649538166 AQCGYKWHHUBGDM-HXUWFJFHSA-N 431.584 4.857 30 10 IJEE C=CCOc1c(Cl)cc(CNCCNc2cccc(Br)c2)cc1OC 1650846589 DGSFEAKDVSQIAV-UHFFFAOYSA-N 425.754 4.878 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 1652167926 WVTGKSWIYJVWTL-QHCPKHFHSA-N 437.499 4.569 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCc3cccc(Cl)c3C2)cc1 1653844911 BYZAOASFSOUPGG-UHFFFAOYSA-N 448.954 4.625 30 10 IJEE CC(C)[C@](C)(Cc1ccc(Cl)cc1)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 1654550996 IDFGHBLKYHDLKG-DEOSSOPVSA-N 435.959 4.583 30 10 IJEE C=CCc1cc(CNc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cc(OC)c1O 1657725564 DYMCWTMKSRIBGH-QGZVFWFLSA-N 441.547 4.693 30 10 IJEE C=CCN1CCC(NC(=O)Nc2ccc(OCCCOc3ccccc3)c(Cl)c2)CC1 1664940884 FXGYGELXHGBRDM-UHFFFAOYSA-N 443.975 4.960 30 10 IJEE C=CCc1cc(CNC(=O)NCCOc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1667711508 WRNKGJMVGQTRCT-UHFFFAOYSA-N 439.339 4.617 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@H]1COc1ccc(Br)cc1)c1ccccc1 1670721591 DTAJSDKPMLLVDK-PZJWPPBQSA-N 427.342 4.767 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)CC1 1670869781 CDAXFNVQRUHSGY-UHFFFAOYSA-N 444.510 4.564 30 10 IJEE CCCc1c(NC(=O)Nc2ccnc(N3CCCCC3)c2)cnn1-c1cccc(C#N)c1 1680780950 GBCXWIZSOFTUEO-UHFFFAOYSA-N 429.528 4.726 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccc(Br)cc1 1686920100 TVEJWQVXUVRJEY-IBGZPJMESA-N 430.302 4.652 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@](C)(CC)O1 1690006729 YPEAKONYBCHEQK-KHOMTPLRSA-N 436.625 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(CCCC)nc1C 1690067198 UNPVIBCFGGECME-UHFFFAOYSA-N 428.943 4.550 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCC(C)CC1 1690271458 QASYYGXTXHIJGM-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1690402782 PMWDGCOGWFFDOU-CPJSRVTESA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN(C(C)C)C(C)C)CC1 1690415771 XYCHQXKSPAFBEN-UHFFFAOYSA-N 439.648 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCOC1 1690422219 HRUHEBYPYBSSFS-MRXNPFEDSA-N 433.394 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1690424356 MHTGSYLXRTZYDC-UXHICEINSA-N 440.588 4.712 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1690445613 ZZIHOSXNTIBQDV-TZIWHRDSSA-N 439.604 4.551 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1690462290 CWWFUCZTOIGUNU-WOJBJXKFSA-N 447.624 4.617 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1690475279 LRFZGQARFWBWSU-FQEVSTJZSA-N 437.500 4.900 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCc1ccnc(C(C)(C)C)n1 1690523308 ZMLZVXMXSRPTAF-UHFFFAOYSA-N 443.599 4.779 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CCC1(F)CCC1 1690556461 XMVULBUIHCKFMM-FQEVSTJZSA-N 428.552 4.656 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1C[C@H](C)S[C@@H](C)C1 1690683644 QFYYYMHMWNZFGW-OALUTQOASA-N 426.630 4.954 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1690736486 GPBCNIFNZNHHFL-FPOVZHCZSA-N 443.661 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)c1nc(C)cs1 1705480220 PQYOKLYFYDFYFY-ZFWWWQNUSA-N 431.512 4.573 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C(C)C)cs1 1705480340 QQOWJAFVHORAFT-AWEZNQCLSA-N 444.402 4.794 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1705607811 RHRHUQNVFFAMEU-NQIIRXRSSA-N 431.378 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN1C1CCCCC1 1705609223 USEHXDCZPMMRHP-FQEVSTJZSA-N 426.008 4.855 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1Cc1ccc(CC)s1 1705620026 JMJDFXCKGCARMQ-UHFFFAOYSA-N 445.567 4.715 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC 1705694570 CLVSMGZILCLRGU-APWZRJJASA-N 449.393 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccco1 1705697827 OIJZLOOFYVXVJW-SVMVAKDDSA-N 440.519 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)C1 1705708517 CZRAJFSTGHEIDD-REHUZNOOSA-N 438.616 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C1CCCCC1)N(C)C 1705713873 WSFKVABENMLRBQ-OAQYLSRUSA-N 439.604 4.587 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1Br 1705726663 XVAJTMYWWJEDKU-UHFFFAOYSA-N 432.391 4.609 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1C1CCC1 1705731098 QZXGXPDKFRVPHS-NQIIRXRSSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705803006 BZUZRBNZGXZZQU-FCHUYYIVSA-N 440.588 4.712 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)CCCS1 1705859933 KCZJCPRNSFOKAY-XUZZJYLKSA-N 437.613 4.522 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705948724 DCDNYYBHBIMBDD-NYVOZVTQSA-N 442.629 4.800 30 10 IJEE CCOC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)CCCC1 1710492756 GGAPHYBZNSMXSU-MSOLQXFVSA-N 429.540 4.645 30 10 IJEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCO[C@@H]1CCCC[C@H]1C 1710670676 HRRQPUSKDSOSQL-HYBUGGRVSA-N 449.599 4.575 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1722559412 VSWWXRVXKCOTKZ-SFTDATJTSA-N 437.588 4.509 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1722575225 BAWRJIRABVORIL-MSOLQXFVSA-N 429.012 4.516 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](CC)OC)CC1 1722576177 KQMIDPJTZUEMNG-CQSZACIVSA-N 425.396 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCc2c(ccnc2O)C1 1722588654 CPZMBCDQTBPQPN-UHFFFAOYSA-N 431.584 4.719 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(=O)NC(C)C 1722597691 QBJBAZFBXBSLMS-UHFFFAOYSA-N 429.634 4.593 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](CC)C1 1722599302 GOTJKSHCNIPTQW-MRXNPFEDSA-N 438.439 4.734 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722601824 WYVCUJFNCXBVLC-IBGZPJMESA-N 430.641 4.749 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnn(CC(C)C)c1C 1722634762 RGIPPUXVJNEWDK-OAQYLSRUSA-N 436.604 4.866 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC=CO1 1722655699 PTOPHZYXUGIUDR-OAQYLSRUSA-N 446.942 4.750 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)Cc1ccccc1 1740539601 QEFWFOGNLSMOPB-PMACEKPBSA-N 447.652 4.721 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740543492 QDIQVUHVYVSTDC-GREBRCKQSA-N 431.584 4.793 30 10 IJEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC(F)(F)F)CC1 1740574129 JTNVPPCBBVNQDK-HXUWFJFHSA-N 448.489 4.763 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1740585052 USDQXFVQVNDODG-UYAOXDASSA-N 442.007 4.533 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCc2ccccc21 1740603612 YGRPBBASYYYUFS-MRXNPFEDSA-N 441.398 4.959 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCO[C@@H]1CCCC[C@@H]1C 1740648424 GOAKRXRHDMHEEK-ICDZXHCJSA-N 432.612 4.878 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(C)(C)C)cs1 1740682200 NFRSHRJRVSOCPF-UHFFFAOYSA-N 449.580 4.580 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740804734 GOBHFIAGNJRCPZ-IAGOWNOFSA-N 449.983 4.729 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(C)CCCO2)CC1 1740833373 OLBIEJRPYDOCIB-UQBPGWFLSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCOCC2)C1 1740858422 QKFAMNUPKLLVTF-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1CC 1740875255 XLWGDZLTGTUXAN-NQIIRXRSSA-N 434.588 4.656 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1740912593 KSVNIFPYXMIFTR-FQEVSTJZSA-N 443.636 4.813 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)C1CCCCC1 1748760297 ZCONLKJDZHUGEC-UHFFFAOYSA-N 431.378 4.802 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(C)CCCS1 1748869018 QMEGXHOHOAQRLL-RUZDIDTESA-N 429.593 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CC[C@@H](F)C1 1749053790 LWLULDFXRRVHMN-UVPKRVSESA-N 440.563 4.947 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC[C@H](C)N1CCCCC1 1749060923 DZOQCNZYJSVTNM-YADARESESA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCC[C@H]1C 1749073342 MCLDTGIWDRSOHI-AJTFRIOCSA-N 449.643 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)c1ccsc1 1749153071 NHZSMEDJFRQHEJ-XMMPIXPASA-N 448.596 4.502 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)CCC)CC1 1749331100 VCDGEYJGGVTTGK-NRFANRHFSA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1749335314 OMKHOFPTPXLBJH-XMMPIXPASA-N 447.583 4.917 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1749345664 PVILWCDSKIDIPP-UHFFFAOYSA-N 427.474 4.733 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CC=CCO2)CC1 1749348745 YGWYXDCYAAZFLZ-HSZRJFAPSA-N 436.600 4.902 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1749385152 NVJCJIRMZUWYDQ-SQJMNOBHSA-N 426.605 4.816 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1Cc1csc([C@H](C)OC)n1 1749539302 YDVFZENTDJFVMX-SFHVURJKSA-N 446.580 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1COC 1749553207 GBVQJQVLCSGKNQ-QFIPXVFZSA-N 438.597 4.969 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C 1749558005 QGFGJYVTJHWARJ-LEWJYISDSA-N 431.669 4.526 30 10 IJEE COCCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1749587629 CCUNRERKGDKAQT-QGZVFWFLSA-N 441.645 4.934 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC[C@@H](n3cc(C)cn3)C2)cc1 1749683320 PNJYATOIJUTRPE-RBBKRZOGSA-N 434.588 4.751 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCOc2ccccc2C(C)C)C1 1749713182 POJBHHISBGXUCH-FQEVSTJZSA-N 426.605 4.850 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1751733563 HNEKNBISAMGQCO-QMHKHESXSA-N 438.576 4.707 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC1CC(OC(C)(C)C)C1 1760109964 ITTLBVVXMPZFLL-UDTLNKQYSA-N 446.599 4.573 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 1760129978 BZTZSOREQJBFGL-UHFFFAOYSA-N 426.008 4.857 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1760148734 KQLXHDIWONPVRI-UHFFFAOYSA-N 435.959 4.800 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1cccnc1)C(C)C 1760225539 SHNXABCJFQNHFC-WMZHIEFXSA-N 435.547 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1sccc1C 1760289408 NQXZZDRDBBWQGW-JOCHJYFZSA-N 428.508 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1760332171 VBOKYOJLSQLCIJ-UHFFFAOYSA-N 441.576 4.816 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1760382719 WWFYEEMZEOVFCW-YJBOKZPZSA-N 438.906 4.652 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)CC1 1760387084 GENFQZYNCATTLY-QGZVFWFLSA-N 439.551 4.594 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC2(CC2)C1)c1ccccc1 1760416437 CZTBZIOHBYWHLA-OAQYLSRUSA-N 435.616 4.937 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1760426209 IVORCHCETDUSOR-JTHBVZDNSA-N 434.588 4.639 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)=C(Br)C1 1760442432 QKROSJJVIYBLMB-UHFFFAOYSA-N 442.361 4.574 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)CN1CCCCC1 1760456395 OEHPKFHZYDEZHM-MOPGFXCFSA-N 432.012 4.816 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)NC(=O)OC(C)(C)C 1760458499 JDMAIDBAWQDTQE-UHFFFAOYSA-N 449.983 4.533 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@H]1C 1760478705 PKEAXTSJPBLSOI-OFNKIYASSA-N 438.616 4.885 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@H](C)OC)C1 1760537972 UZZLBOWHVULEJR-QFBILLFUSA-N 442.560 4.629 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(C)C)CC1 1760559076 CLFBGWZICCLRQA-QFIPXVFZSA-N 427.662 4.660 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1760562093 WZVGLLSHMRLTIZ-QFIPXVFZSA-N 439.673 4.836 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1771449976 GIVBLMLDQPIILC-XQBPLPMBSA-N 441.645 4.990 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2c1 1772789086 OWHHBRYQEKUDEG-UHFFFAOYSA-N 438.461 4.616 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 1858815508 DCVNWAOHJNZZRQ-HNNXBMFYSA-N 448.445 4.712 30 10 IJEE CC(C)(C)c1ccc(/C=C/C(=O)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1860723103 ZVXWXWJPYMGTQB-DTQAZKPQSA-N 437.495 4.981 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 1860736840 GAUUBPRNVBFJEA-QZVVWXHDSA-N 443.584 4.520 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 1861735652 SYGAVNMDNQVNHJ-QHCPKHFHSA-N 445.003 4.923 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1862451475 GWWOWWLZBAOWGC-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)c1 1862457975 BVGKPJMPFCXCJW-HXUWFJFHSA-N 433.426 4.737 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862513228 ZZXZXEKZSIXWHL-IBGZPJMESA-N 447.890 4.880 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(Cl)c1 1862536407 XMEFEQWWUDEXQH-OAQYLSRUSA-N 427.928 4.907 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862668636 DGNSWNKLOWCOIR-SPLOXXLWSA-N 438.480 4.801 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2F)c1 1862700745 NOQCPPSNTJMUPO-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885186 LQEHVGXJDFMDMB-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCOc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)c1 1862917302 MCKMKFNISZAWPK-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1862936717 CTCIFIVAXYYPKM-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)n1 1868286223 CAMSXLLKTVVZEW-UHFFFAOYSA-N 443.551 4.969 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 1870158046 RVCJSZLTPHXQOY-UHFFFAOYSA-N 430.556 4.843 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870682668 BBCONFJTROWOHY-VXKWHMMOSA-N 447.664 4.592 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H]2CCCO2)cc1F 1871252089 KBHYNBGEDFWMQE-QHCPKHFHSA-N 447.510 4.538 30 10 IJEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 1871345771 MJVIDVPCSJLIJG-NHDPSOOVSA-N 436.414 4.651 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(CCc1nc3ccccc3[nH]1)CO2 1871355602 PIVFXZGARLJGIA-QRVIBDJDSA-N 437.499 4.882 30 10 IJEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871379120 MQGKJFORIYQSPM-FMCGGJTJSA-N 437.455 4.785 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)C(=O)Nc1ccc(F)cc1 1871400863 NGYGICMXAPGTOH-ZDXHCBJDSA-N 448.406 4.756 30 10 IJEE C=CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N2CCCCCC2)n1 1871636189 VGWUKPSKCGXDHZ-UHFFFAOYSA-N 430.556 4.594 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(N(CC)CC)cc2)nc(N(CC=C)CC=C)n1 1871733955 MFEHTXGEHWNHLO-UHFFFAOYSA-N 433.604 4.818 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1871886082 MHIHUQHDYCICLD-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872093124 OOQRZSVNPXNEEL-HSZRJFAPSA-N 428.598 4.850 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(C)(=O)=O 1872144525 CTVPSIOXSNYSJD-QFIPXVFZSA-N 429.586 4.621 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCC 1872176560 OGIHLEQRCZUNOS-JOCHJYFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)CCC 1872204288 VAVRMVUFNUCIPE-HSZRJFAPSA-N 428.598 4.853 30 10 IJEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1[N+](=O)[O-] 1872777416 NDXHXNDZPOCOEL-OAHLLOKOSA-N 431.477 4.756 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 1872885542 HKTLBFCYTRVYKH-RMKNXTFCSA-N 436.559 4.642 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2ccccc2Br)C1=O 1873253941 VCWMMTXTHPEUMS-UHFFFAOYSA-N 441.325 4.534 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1873319588 BRWNJLLVGZMLGF-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874264590 GHNHWXFBYKFMRT-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE OCCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1F 1874271319 PKGSLHGFFRFHHA-CVKSISIWSA-N 438.503 4.657 30 10 IJEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874316955 RUGOSTXQEMOLLL-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(O)c(OCC)c1 1874317702 HMVGVSGRDQZYCV-JJIBRWJFSA-N 440.569 4.778 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Br)cc1 1874322411 PJNUXFRBARCMRF-SRZZPIQSSA-N 431.359 4.841 30 10 IJEE Cn1cccc1/C=N/n1c(CCc2cccs2)nnc1SCc1cccc(F)c1 1874370193 MLZCEPPZTKVIAC-OEAKJJBVSA-N 425.558 4.777 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1cccc(OC)c1OCC 1874372087 HPJNALCZTAEINP-PXLXIMEGSA-N 430.599 4.916 30 10 IJEE CCCNC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874393437 MVXFNZNHSNYCJW-MMDHUZEPSA-N 441.988 4.584 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)cc1 1874427182 VELDRRBYXQQNPJ-PCLIKHOPSA-N 427.533 4.867 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1F 1874454882 ZPLMCNKPSWVLHK-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874493891 JMVBWBQVXAEHNC-MFKUBSTISA-N 448.596 4.533 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC 1874594418 JBVOWOIHGZNRFE-UXBLZVDNSA-N 431.479 4.897 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OC 1874603154 NAKLNTXYIWAWAC-UKTHLTGXSA-N 431.488 4.926 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1C 1874696515 YTCUTKHBOZXFIK-ZRDIBKRKSA-N 431.444 4.956 30 10 IJEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c1C 1874707847 ZKBGJEVBZLJUOW-PKNBQFBNSA-N 430.456 4.913 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)cc2OC)CSc2nnc(CC)n21 1874835433 VHDXPPNPFQRPLT-IBGZPJMESA-N 446.617 4.920 30 10 IJEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)ccc1F 1875141813 WQRZYWIMDJPPOZ-YRNVUSSQSA-N 435.407 4.923 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OC)c2)c1 1875147328 RKXGRTWWHLLNOY-FMIVXFBMSA-N 432.472 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875163296 DRBSCLRQZJLBAE-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)CC1 1890532879 ATSNTOBAGGSDSK-UHFFFAOYSA-N 437.330 4.889 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@H](O)c1ccc(-c2ccc(Br)cc2)o1 1922065430 MJRMZCJYPYGLMU-VXKWHMMOSA-N 428.326 4.843 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)CC1(C)C 1922087053 VVDWDONGYSUNCY-GJZUVCINSA-N 446.632 4.526 30 10 IJEE C#CC[C@H](C[C@@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2020078782 OJGNJBUFZRELLZ-SMIHKQSGSA-N 428.617 4.904 30 10 IJEE COCCCCN(Cc1ccccc1)Cc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2034740406 XUAOBQGFUNELPD-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE C=C(Br)CCOc1c(Br)cc(Br)cc1C[C@@H](C)N 2045035217 OQPZMSLLAIGRSM-SECBINFHSA-N 441.989 4.779 30 10 IJEE C#CCN(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc(Cl)ccc1C(=O)O 2081129655 YFPCDYCHKPMILR-UHFFFAOYSA-N 432.863 4.822 30 10 IJEE CN(C)c1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2093102024 QOJFAZOZEZQXPZ-CQSZACIVSA-N 437.363 4.978 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 2159128335 QRKXZBVYTKAORN-JKSUJKDBSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1Nc1ccc(C#N)cc1Br 2162304191 YSFRIFXWTSYSDE-MOPGFXCFSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(Br)c(C#N)c1)C1CCCC1 2180896065 HQXLDUZWYGCKLM-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC(F)(F)C[C@H]1CC#N 2233993789 CSELSBOXYGVEAO-GFCCVEGCSA-N 444.276 4.560 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2ccccc2Br)CCC12CCC2 2235730195 VAMNQNPWEPXTMY-KRWDZBQOSA-N 432.358 4.940 30 10 IJEE C=C(C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)OC 2237415141 NUZWGFACNHBDLS-RBUKOAKNSA-N 441.410 4.803 30 10 IJEE C#CC(C)(C)C[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237418027 DGTDUALKPCLGPG-OALUTQOASA-N 437.422 4.913 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(C)(C)C 2247919316 QGUPRMFSKOVWSG-MRXNPFEDSA-N 428.407 4.519 30 10 IJEE CCN[C@@H](C#CC1CCCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251421017 ZGKVTKYDGFAQMS-ZEQRLZLVSA-N 427.633 4.574 30 10 IJEE N[C@@H](C#Cc1ccc(Br)cc1)CCCCCNC(=O)OCc1ccccc1 2253313866 WZQUPECHVZRPIP-OAQYLSRUSA-N 429.358 4.615 30 10 IJEE CCN[C@H](C#CC1CCCC1)c1cc(Br)ccc1I 2273976841 MOHSLPHOKPFEKK-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(O)(C#Cc3ccc(Br)cc3)CC2)C1 2296289748 VDJZCXLSOXQEGA-UHFFFAOYSA-N 434.374 4.733 30 10 IJEE CCCCN(C)Cc1c(O)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2296592815 DYJHEECXHLSXDY-UHFFFAOYSA-N 429.900 4.760 30 10 IJEE COc1cc(C=C2SC(=Nc3ccccc3C(F)(F)F)NC2=O)cc(OC)c1OC 2296883532 XQOSNPHOADXSAE-UHFFFAOYSA-N 438.427 4.623 30 10 IJEE C=CCc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCc1ccc(F)cc1 2297347523 DMPFRTMDPKPLJQ-UHFFFAOYSA-N 447.466 4.592 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)C#Cc2cccs2)CCN(Cc2ccccc2)CC1 2300834317 UQYNEKMICICPON-UHFFFAOYSA-N 438.593 4.618 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(F)F)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2302299119 BBRNLUCVSXSRLC-KCLUMXDGSA-N 436.543 4.512 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2C2CC2)cc1 2320902095 XJUQKDWPVUHYAY-UHFFFAOYSA-N 447.608 4.744 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc2c(c1)OCCO2 2321028600 JVSLLTIPKNKXJS-UHFFFAOYSA-N 430.533 4.939 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(CCCc1nc3ccccc3[nH]1)CO2 2322192853 COUVBMDMCIWZRQ-UHFFFAOYSA-N 441.487 4.865 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Br)ccc2OCCO)c1 2322860319 GRAIEOONHYZVHO-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)cc(C)c3C2=O)c1 2322961427 QTOVCZULZKUULO-UHFFFAOYSA-N 443.455 4.797 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)COc4ccc(C)cc4)c3C)C2=O)c1 2323197117 PMQRMSSVVVOIIU-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE N#Cc1c(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)sc2c1CCCC2 2324379288 SSAABDONVHBNAS-UHFFFAOYSA-N 427.529 4.908 30 10 IJEE Cc1cc(Br)ccc1NC(=O)C(=O)C=Cc1ccc(F)c(Br)c1 2325610458 NIJZAEBKPWEGER-UHFFFAOYSA-N 441.094 4.880 30 10 IJEE CCCOC(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc(OCCC)c(OCC)c2)cc1 2325645720 YIRRZWBQEMZZKP-UHFFFAOYSA-N 439.508 4.662 30 10 IJEE O=C(N[C@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1ccc2cc[nH]c2c1 2328355721 UNCYBKKWMWWRCS-RXVVDRJESA-N 442.346 4.608 30 10 IJEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1cccc(OC)c1OCC 2329208804 QDHZMFHMZMDUCE-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE Cc1ccc(C)c(CSc2nnc(COc3ccccc3)n2N=Cc2cccn2C)c1 2329918976 HLTYPUBRAUNCKD-UHFFFAOYSA-N 431.565 4.987 30 10 IJEE CCCCCOc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCCO)cc1 2330422866 KTFJAXLCROLPDM-UHFFFAOYSA-N 444.626 4.856 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2330752849 WOKNGXNSJMTVJI-UHFFFAOYSA-N 437.370 4.920 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1sccc1C 2331325391 UOJDNQMNDRPFNT-UHFFFAOYSA-N 427.599 4.912 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(F)cc1 2331630567 JSUCARJGARCLKU-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)C=Cc2cccc(Cl)c2)ccc1Br 2332188843 GZRPGMJEICNHDX-UHFFFAOYSA-N 442.704 4.515 30 10 IJEE CCCN[C@H](C#CC1CCC1)c1ccc(Br)cc1I 2337439710 PVGMMNJXUYBRPY-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE C[C@H]1[C@@H](C)N(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339540445 VVLMNSGWZRXURN-MSOLQXFVSA-N 443.397 4.560 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339580923 HDWUNHLQCHNZFA-KQDNUWKFSA-N 444.381 4.895 30 10 IJEE CO[C@@H]1CCC[C@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349877788 IZXWPIDCOMGMLF-DOMZBBRYSA-N 434.115 4.695 30 10 IJEE C=CCN(CC(=C)Br)[C@](C)(C(=O)O)c1ccc(OCc2ccccc2)cc1 2378523701 VCILZKHVWCEVNM-QFIPXVFZSA-N 430.342 4.962 30 10 IJEE COc1ccccc1/C=C1/Oc2cc(OC(=O)c3ccc(OC)c(OC)c3)ccc2C1=O 2104487 AZFPJDJXHUNLOH-FSJBWODESA-N 432.428 4.548 30 10 IJEE N#Cc1ccccc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 8746741 OGWQMBKACVYAQU-UHFFFAOYSA-N 445.422 4.630 30 10 IJEE COC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c2C#N)C1 9446728 NLYILIAWKWCRSK-UHFFFAOYSA-N 431.517 4.587 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)cc1OC 21260687 YWSCJBDAPUEAGL-CTNGQTDRSA-N 449.547 4.885 30 10 IJEE COc1cccc(N/C(=N\C(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)c1 32972314 KQWMQOJDCZAQHS-UHFFFAOYSA-N 447.583 4.741 30 10 IJEE CCCOc1ccc(C2C3=C(CCCC3=O)N(CC(=O)O)C3=C2C(=O)CCC3)cc1Cl 35656211 XQBCOIVAVXXINU-UHFFFAOYSA-N 443.927 4.627 30 10 IJEE CCC(=O)c1ccc(OCC(=O)N2CCCS/C2=N/c2cc(C)ccc2OC)cc1 96557117 GZJLDUGBKXLCSV-WCWDXBQESA-N 426.538 4.628 30 10 IJEE CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(CC)C2=O)c(OCC)c1 100928217 LXJAWLOZRJZEAK-RLYGRLLTSA-N 440.521 4.806 30 10 IJEE COc1ccc(-c2nnc(N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2=O)cc1 169898878 WPNRWVLABDZQOQ-VULFUBBASA-N 449.555 4.587 30 10 IJEE CCCN1C(=S)N[C@@H](c2cc(OC)c(OC)cc2OC)C(C(=O)c2ccccc2)=C1C 169928839 DIYZNIVTJWODOJ-QFIPXVFZSA-N 440.565 4.511 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2)cc1 170055830 UVFUJTAPGQHZGJ-OAQYLSRUSA-N 448.544 4.937 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)cc2)cc1C 170057202 SOYRCVXBCIEHHO-NRFANRHFSA-N 443.927 4.660 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(O)c2)c1 170078952 HGMJFBJKTWMQIE-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CC(C)Oc1ccc(C2=C(N3C[C@H](C)C[C@@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170085822 QRVQAENRTSYJCM-RTBURBONSA-N 443.547 4.608 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1cccc(OC)c1 170120599 WVPZSRLLAIXUSW-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccn1)c1cc2ccccc2o1 170182412 IDVDSBKOZNQBIZ-QFIPXVFZSA-N 428.419 4.745 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)cc1C 170187170 JSQGBKSCCBJMEH-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)cc1 170189316 MZRWYQWOLUYXSC-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccnc1)c1cccc(Cl)c1 170191909 FQNQBKUKNYOWLM-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccncc1 170204772 MRRYKWUCSDTPQF-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccco2)c1 170295359 CEQYGHXXOJUDJS-JOCHJYFZSA-N 441.524 4.708 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccc(C)o1 170308460 RCQWJQWOHZNYPY-QFIPXVFZSA-N 441.524 4.643 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCCO3)cc1 170390725 MBEKPWMYSKLXBN-QFIPXVFZSA-N 447.512 4.865 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)SC1=Nc1cc(Cl)ccc1OC 252635571 WYXYTOKLEOVIAK-LJQANCHMSA-N 443.956 4.803 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CC23CCCC3)nnc1-c1ccc(Cl)cc1Cl 430222887 GRCQUILSGQNBKJ-MRXNPFEDSA-N 437.396 4.979 30 10 IJEE CN(C(=O)c1sccc1C#N)c1ccc(NC(=O)c2sccc2C#N)cc1Cl 432314673 OWNATOFVBYRFLC-UHFFFAOYSA-N 426.910 4.735 30 10 IJEE CCc1ccc([C@H]2C[C@H](C)CCN2CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)o1 464845079 LEHCAOMMEZGDDT-VGOFRKELSA-N 440.588 4.580 30 10 IJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 466861825 QARJAOALGFBWEG-AUUYWEPGSA-N 433.321 4.987 30 10 IJEE C=CCOc1ccc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 475621225 WVMKLVXACPMWHZ-GOSISDBHSA-N 430.264 4.856 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(c1ccc(F)c(Cl)c1)c1nccs1 489065421 UEKJGXOGRUSIOI-UHFFFAOYSA-N 430.892 4.822 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508793713 JDHKQOHZDYWAMR-UHFFFAOYSA-N 430.552 4.759 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526817886 FGRNJSRYDOXXAM-YVNNLAQVSA-N 449.895 4.811 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cn(C)c2ccccc12 526827740 FQJRBGVROQQVCC-QFEZKATASA-N 447.564 4.683 30 10 IJEE C=CCn1c(SCc2nnc(C)n2C2CC2)nc2sc(-c3ccccc3)cc2c1=O 540351016 WISZKAYOQXNWJB-UHFFFAOYSA-N 435.578 4.838 30 10 IJEE C[C@@H](C(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C)n1cnc(C#N)n1 547379864 NCICABXDIOEEJN-RVKKMQEKSA-N 444.926 4.581 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(C2CCOCC2)CC1 549253490 XDZUZDWKUJWBCQ-UHFFFAOYSA-N 442.629 4.798 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 558996369 BXECUCQVUQMXCC-NRFANRHFSA-N 428.540 4.543 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 583706248 UWXUXSRARNYURW-HZPDHXFCSA-N 449.368 4.676 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1cccc(C#N)c1 586153776 VZSXCCSEPCHXCU-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 590237297 NWCWVCBDVGITCA-UHFFFAOYSA-N 436.899 4.564 30 10 IJEE Cc1csc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 609053926 YPLQGPSCFYQDAN-RDTXWAMCSA-N 438.940 4.576 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 733196472 COLNRTVYUXMZFP-OAQYLSRUSA-N 437.540 4.933 30 10 IJEE COc1ccccc1OCc1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)o1 735343686 AUXQEZFDEJLTBU-UHFFFAOYSA-N 427.840 4.780 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2[C@H]3CC[C@H]2c2ccccc23)c1=S 739878347 CLBVANTYRGLIGP-IPJJNNNSSA-N 432.549 4.962 30 10 IJEE C#CCN(C(=O)Nc1ccnn1[C@@H](C)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 776022064 JNEXEIDIBOACEQ-KBXCAEBGSA-N 443.345 4.608 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccn(-c2ccccc2)n1 800779289 UPVZTNBQKGILPZ-ZEQRLZLVSA-N 440.551 4.531 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cs1 803922894 FFIZOOKFVDVPFJ-UHFFFAOYSA-N 449.507 4.922 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNC(=S)Nc2ccc(F)cc2)cs1 915927145 NTHJFXKUUDJTMK-UHFFFAOYSA-N 441.557 4.904 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccccc2)C1 1116940112 KKHSFLQHODGUNB-SFHVURJKSA-N 439.357 4.537 30 10 IJEE Cc1sc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(C#N)c1C 1124142731 GLHBRHCLJVEBOS-HNAYVOBHSA-N 443.569 4.674 30 10 IJEE C#CCN(C(=O)[C@H](C)Cc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1126150663 CZBWMRJTIOYJCW-DYESRHJHSA-N 426.354 4.922 30 10 IJEE C=CCC[C@@H](NC(=O)CCn1cc(Br)cn1)c1ccc(C(F)(F)F)cc1 1127411744 SOWAVZNFDGRYLI-MRXNPFEDSA-N 430.268 4.878 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1128864088 VCCJIOOWYIQFSV-CVDCTZTESA-N 444.934 4.658 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)C(F)(F)F)cc1 1128867037 QTXGBTOPGHJEFP-BZSNNMDCSA-N 425.447 4.850 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCC1(c2cccc(Cl)c2)CCCCC1 1129177700 AQKKZPSCTCFBAQ-UHFFFAOYSA-N 425.960 4.880 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 1135973001 MZEPSTUGMFFVQI-UHFFFAOYSA-N 445.519 4.642 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2O)cc1F 1137036629 AZQXFSZEQZKCMU-UHFFFAOYSA-N 432.386 4.772 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[C@H](OC)C1 1138248296 AZHANVDVDCDHHP-MHPIHPPYSA-N 448.563 4.544 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1)c1ccccc1 1158326239 VHSMGPZFDZSBGI-PZJWPPBQSA-N 430.386 4.775 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](O)c1cccc(C(F)(F)F)c1 1161337255 YPVUHZRCTWITAU-MRXNPFEDSA-N 430.220 4.705 30 10 IJEE C#Cc1ccc(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)c(Cl)c1 1179656587 UFAGPQMSMXUHIW-UHFFFAOYSA-N 443.981 4.782 30 10 IJEE N#CCc1ccccc1S(=O)(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl 1186928869 DUEYEEKMLHRDSC-NRFANRHFSA-N 432.879 4.752 30 10 IJEE N#Cc1nc(NC(=O)NCCn2c3ccccc3c3ccccc32)ccc1Br 1208089469 IDVOFYYAMMNXQK-UHFFFAOYSA-N 434.297 4.645 30 10 IJEE CCN(Cc1ccccc1Br)C(=O)Nc1ccc(Br)c(C#N)n1 1219696370 AJFQHCPGMWJJDD-UHFFFAOYSA-N 438.123 4.532 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1 1230499298 UDRWCUYPKLXNIA-PCCBWWKXSA-N 445.332 4.824 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc(-c3cccnc3Cl)ns2)CCCN1C(=O)OC(C)(C)C 1277406900 RXAJXWQOVVICON-HXUWFJFHSA-N 449.964 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nc(C)c(C)s1 1286282540 NYFBUTCCXJZUBU-KRWDZBQOSA-N 437.613 4.950 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1286317223 KODGNKQMPREAFT-OAQYLSRUSA-N 435.959 4.765 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(OC(F)F)c1 1286336299 WSGDHYLNZAMYGU-QGZVFWFLSA-N 448.424 4.870 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1Cc1nc(C(C)(C)C)cs1 1286458278 PAODKAIUPNRBGH-UHFFFAOYSA-N 437.588 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)c1ccsc1 1286582750 FJCXRQXRCOLCDG-QHCPKHFHSA-N 426.586 4.537 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2sccc2C1 1286600088 JLJXKAOSKCGWIQ-QGZVFWFLSA-N 442.560 4.774 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286656090 PWPRQLXYXURVAR-LJQANCHMSA-N 441.576 4.648 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1286664168 QYRIMTAEZIIJOH-HXUWFJFHSA-N 444.023 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OCC)CC1 1286666146 BBGOVDLCHOBSFZ-UHFFFAOYSA-N 449.958 4.618 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1 1286671789 ZKNURANCLJNSRA-GOSISDBHSA-N 449.665 4.548 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1N1CCCCC1 1286728886 JMBXIXGIYZUOSY-FYYLOGMGSA-N 437.632 4.858 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CC=CCC1 1286822760 GZYLNNQREHJPAL-HXUWFJFHSA-N 439.629 4.859 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CCS1 1292393658 HCBHZIDUNXMAIC-UHFFFAOYSA-N 432.597 4.566 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 1295897420 DRJZCLGEFDZYAZ-KRWDZBQOSA-N 431.533 4.587 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](OC)C(C)(C)C1 1300349278 XQFAHVZYNOKLJX-QHCPKHFHSA-N 448.567 4.782 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2ccc(C)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1300376308 JHQFDCAGWFDHMI-ZEQKJWHPSA-N 436.600 4.772 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1F)C1CC1 1300981148 RUAUWUCTYIMCAO-UHFFFAOYSA-N 441.938 4.894 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)OC(C)(C)C)C2 1304228032 AHTDXVZFOWRANL-GOSISDBHSA-N 446.613 4.501 30 10 IJEE C[C@H]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1304999103 GZYYREOEKRWFMV-HOCLYGCPSA-N 431.382 4.602 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 1310195361 HBSSQJCGSGPBBW-ICSRJNTNSA-N 434.323 4.774 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1310374729 VVQBPEZMNYKJFS-QFIPXVFZSA-N 448.494 4.960 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 1310745520 BZPIHLNDXGMRLO-NRFANRHFSA-N 437.565 4.901 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C 1312708573 ZRBIQHCTYLFHCL-HXUWFJFHSA-N 431.577 4.573 30 10 IJEE C=CCOCC(=O)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2 1349398685 QUOYITAFVRILLR-UHFFFAOYSA-N 434.355 4.762 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)CSCc2ccc(C#N)cc2)sc2c1CCCC2 1353747889 HIABTCIIEBDDGH-UHFFFAOYSA-N 428.579 4.936 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CCOC)CCCC1 1358880873 VBDUTHIDUFCVDT-QGZVFWFLSA-N 430.980 4.662 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC[C@H]21 1358907859 DIMBIJCITAJILE-FUHWJXTLSA-N 429.362 4.508 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1358909934 XEKLHYRIJBSYQN-HDICACEKSA-N 425.527 4.968 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CC)CCOCC1 1358972804 UDKMJVKUANMPHV-UHFFFAOYSA-N 436.625 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCC(F)(F)C1 1359071756 BLBZFPFPLBJTEN-DYESRHJHSA-N 433.572 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@H](C)Cc1cccs1 1359072433 CQXAVPYYSFNCIY-NBGIEHNGSA-N 434.609 4.832 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1359076371 ACTFDEHTWZUHKM-OAHLLOKOSA-N 432.410 4.644 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)(C)CC1 1359102204 YFAVFRFXECZTSU-JTSKRJEESA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1359112380 HYMFBSDULCOGBN-HXUWFJFHSA-N 426.561 4.629 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccc(Cl)cc2C1 1359290516 DXHYSGIBGCVTNM-IBGZPJMESA-N 443.979 4.752 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC(F)C1 1359339059 QXBPLWKBNRQNGO-UHFFFAOYSA-N 445.427 4.873 30 10 IJEE CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1359755797 GTHBVBFYISKQPA-RBBKRZOGSA-N 435.597 4.618 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 1444136260 NBSJBJWBYADWDE-LJQANCHMSA-N 433.549 4.509 30 10 IJEE C#C[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)c1ccc(Br)cc1 1450268846 DKWMZECZUNUTMR-MRXNPFEDSA-N 434.374 4.634 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1 1459993355 RXRPLGWELLIAJQ-UHFFFAOYSA-N 438.499 4.773 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)c1ccccc1 1463270911 LIYNVJVRBFMGNV-UKJJDJLKSA-N 448.588 4.763 30 10 IJEE C#CCN(CC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1)C(=O)OC(C)(C)C 1466684646 NFBIFWMHUHKFQS-GOSISDBHSA-N 426.582 4.553 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCOC[C@H]1c1ccc(CC)o1 1466817064 VBYCPXUFATXWCM-KRWDZBQOSA-N 435.318 4.775 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C(C)(C)c2ccccc2)cs1 1471116036 TVSYFFWVQAGPII-QGZVFWFLSA-N 427.570 4.714 30 10 IJEE CN(CCC1CCN(c2ccc(C#N)c(Br)c2F)CC1)C(=O)OC(C)(C)C 1472733018 NYWIWYJLKNXRCK-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN(C)Cc3ncc(-c4ccccc4)[nH]3)c2C#N)C1 1473295698 HOTXIHHRBDWZCV-MRXNPFEDSA-N 433.581 4.595 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](CC(F)(F)F)C2)n(Cc2ccccc2)c1C 1473563659 FRRQVAGTTFQZSO-LJQANCHMSA-N 432.490 4.628 30 10 IJEE CCOc1cccc(CN(CCO)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 1476463083 CEJWBRXRDKUYLD-UHFFFAOYSA-N 431.492 4.776 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)c1ccc(Cl)cc1 1477239699 IUYGULNJWMIELL-DHIUTWEWSA-N 425.960 4.549 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCOC)Cc2ccc(F)c(Cl)c2)c1 1477923905 HXKJYTUGTOACDX-GOSISDBHSA-N 433.911 4.518 30 10 IJEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1507581024 LHLGBYKTGIMTNK-LJQANCHMSA-N 430.339 4.571 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1507583993 ZMRZHCIQQPIICK-UPVQGACJSA-N 442.611 4.551 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N(C)Cc1ccc(Cl)s1 1507595710 UZDCHSGYBMGWSX-UHFFFAOYSA-N 430.961 4.630 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1507880813 MZKJXJGWETZVSZ-VGOFRKELSA-N 445.405 4.724 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCn2cccn2)CC1 1507896241 IKDSAVXHDIDCNG-NRFANRHFSA-N 434.588 4.724 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCc2cccnc2)CC1 1507899377 DQTDMHXWEXAWPB-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC(C)C)CC1 1507911566 MCKYVJSULWZHDQ-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507974297 FXQFHKOJFBSWDM-WOJBJXKFSA-N 439.648 4.753 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1 1507995678 BMYDCHSHPXVCKD-HSZRJFAPSA-N 449.624 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1C[C@@H](C)O[C@H](C)C1 1508008174 LFUROMSUAWGJDA-QWFCFKBJSA-N 430.618 4.630 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C1CC1)N(C)C 1508015465 XJAAGIQBYPZIHF-PXNSSMCTSA-N 425.646 4.650 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCOC(C)(C)C 1509093565 AEUVOFYCJYAMCC-YADHBBJMSA-N 439.604 4.519 30 10 IJEE CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1510303925 HCWIWUSTPXIVSY-XMSQKQJNSA-N 447.505 4.537 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1 1515034994 GANHGDJKVWFTHA-NQIIRXRSSA-N 431.442 4.612 30 10 IJEE C=CCCC[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1520520552 LXYOYGKPAPHSMP-YOEHRIQHSA-N 425.367 4.876 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC2(c3ccccc3)CCCC2)nnc1-c1ccco1 1525449064 JDEPKXPEAHMPGT-UHFFFAOYSA-N 436.581 4.835 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1cc(C(=O)OC)ccc1Sc1ccc(Cl)cn1 1525600543 NTZFIBGTFCNSEA-UHFFFAOYSA-N 436.920 4.835 30 10 IJEE C=CCc1cc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc(OC)c1OC 1526727470 GRXWMSPZZLDOIF-QGZVFWFLSA-N 444.369 4.900 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2cc(Br)ccc2F)cc1 1526773637 ILXNFWVEMBLCHG-UHFFFAOYSA-N 445.332 4.974 30 10 IJEE C=C(C)COCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1533554767 IYIROXONKLCTNZ-UHFFFAOYSA-N 440.341 4.624 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)cc1 1537417119 YHOYWLYBLLHKAS-VQTJNVASSA-N 427.522 4.719 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nc3c(OC)cc(Br)cc3s2)cc1 1537691359 YEAAJEVPJQVCKF-UHFFFAOYSA-N 431.311 4.722 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CCOC)CCCCC1 1539002508 TZDMZWUVEPTFAY-NRFANRHFSA-N 446.599 4.576 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 1539036677 RAAFVZBVNOBUDZ-FQEVSTJZSA-N 442.506 4.745 30 10 IJEE CC(C)[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1Cc1ccccc1 1539200725 DWGBSSSTMAYGOE-RUZDIDTESA-N 443.547 4.713 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)SC 1539238647 BALMKJCIFNNPLG-SFHVURJKSA-N 445.032 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1Cc1ccnc(SCC)c1 1539558101 AFZKWLJONRBXBU-XMMPIXPASA-N 435.572 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1539643281 LVNCZTKGKNMMFA-IMSXRSKXSA-N 438.616 4.753 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1539684850 JVJCAJVDILCCNR-LEWJYISDSA-N 439.604 4.890 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 1539857654 JJZNVKPVPVWQRK-QFIPXVFZSA-N 440.588 4.677 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cc2)CC1 1539875012 NKXKRFJIMUYABS-UHFFFAOYSA-N 430.325 4.626 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1539891894 MMFRQAIBRKGDGK-NRFANRHFSA-N 444.627 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(Cn2cccn2)CC1 1539926740 UCBJRBYLBCWAEN-UHFFFAOYSA-N 432.616 4.779 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](CC)C1 1540034300 ZOBYDLNGZIKARH-LJQANCHMSA-N 439.585 4.525 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1Cc1cccc(NC(=O)CC(C)C)c1)C1CC1 1540101917 BUHYMAAGEYHAPR-UHFFFAOYSA-N 430.556 4.528 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC1)C(C)C 1540152399 TYZLYGOARQKXRL-XMMPIXPASA-N 432.616 4.736 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1540879446 DLEUGTRIQPHECF-OAQYLSRUSA-N 449.599 4.681 30 10 IJEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1541515552 ARBQYGJSZKDJPJ-GGAORHGYSA-N 434.632 4.954 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 1559708763 BWUWDQJSKZMSFO-HOTGVXAUSA-N 426.504 4.943 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1561654002 CTUUOGCLAWUZDJ-HIFRSBDPSA-N 439.762 4.589 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1F 1587010439 BYSVFARIHIDDGM-UHFFFAOYSA-N 437.814 4.726 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)C[C@H]2CC)c1 1587142078 SLGPBSAGADZKFU-YLJYHZDGSA-N 447.000 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CC[C@H](F)C1 1587600251 WODJJEDWHBGKLR-NSHGMRRFSA-N 428.552 4.729 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C)C1 1587719278 YDAABOKVTLXBQS-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccco1 1587786866 BPPPCGDZGUPLHK-UHFFFAOYSA-N 443.345 4.653 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(F)c(F)c1 1587932109 LVWGBVPWUKQUSZ-UHFFFAOYSA-N 426.536 4.866 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1ccsc1 1588181280 QHRPRHIOMJHMEB-GOSISDBHSA-N 438.984 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1589546445 QVTHEOLSFSNBIQ-REWPJTCUSA-N 442.579 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C(C)C)C1 1589570888 XDSMAEDJMGBFJI-HWBMXIPRSA-N 438.616 4.883 30 10 IJEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1cccs1 1593746798 NNOJBKNKMZDEEG-PXNSSMCTSA-N 440.569 4.642 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@@H]1C 1593872418 HNCUWYBXSBIVLZ-RDJZCZTQSA-N 440.979 4.613 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1594133609 AJRXSCKYKUYRNF-AVJFOWIRSA-N 443.680 4.864 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCC[C@@H]2C)CC1 1594134600 UBXBJRBCOXSJIK-BHDDXSALSA-N 429.653 4.618 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCCC1(C)C)C1CC1 1595034005 UXFCUHRFQAITPP-HSZRJFAPSA-N 432.515 4.643 30 10 IJEE C#C[C@H](NC(=O)CSc1ccccc1Br)c1ccc(Br)cc1 1596984690 FLEPOARYSUCQCN-HNNXBMFYSA-N 439.172 4.794 30 10 IJEE Cc1cccc(-n2c(-c3ccccc3)cnc2SCC(=O)N(CCC#N)CCC#N)c1C 1613369841 BDOLBZZEHQOVSO-UHFFFAOYSA-N 443.576 4.904 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H]1C 1614758306 AFFHMXPSFIMNLT-FQEVSTJZSA-N 448.640 4.822 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)OC)C1(C)C 1616539836 HVLASOJIJHWYTM-RTWAWAEBSA-N 439.604 4.662 30 10 IJEE C=C(C)CS(=O)(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 1621604910 VYIIDLYVFRYZIV-UHFFFAOYSA-N 429.973 4.590 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccnn1-c1ccc(Br)cn1)c1ccccc1 1624396136 SUCADZVTWVXIMV-QGZVFWFLSA-N 426.318 4.859 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1625286032 QGPNZUHTZBTZOR-OAQYLSRUSA-N 428.573 4.950 30 10 IJEE C=CC[C@@H](NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccncc1 1628149485 YMJUZTMVCAARBJ-CTNGQTDRSA-N 438.572 4.929 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 1629302004 MKMLVPHDCCMSHF-MOPGFXCFSA-N 436.980 4.619 30 10 IJEE Cc1c(C(=O)NCC(=O)c2ccc(Br)c(F)c2)sc2ccc(C#N)cc12 1631224453 FPKUJYBGSQKNMK-UHFFFAOYSA-N 431.286 4.596 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 1638458893 NOHRCHLQVYPCAZ-CYBMUJFWSA-N 441.341 4.579 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 1640538954 OGTPTRRLTMBGQM-FCHUYYIVSA-N 447.000 4.651 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(C(F)(F)F)cn2)nc2cc(Cl)ccc2c1=O 1640577754 LZOPOMCPJMNRSN-UHFFFAOYSA-N 439.846 4.625 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(C)c2C)C1=O 1640686125 HIVZEWBECJQZKH-HXUWFJFHSA-N 439.968 4.535 30 10 IJEE C=CCn1c(SCc2occc2C(=O)OC)nc2sc(-c3ccccc3)cc2c1=O 1652569882 YCWPUXGLHLNULD-UHFFFAOYSA-N 438.530 4.983 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1653388745 NSELLDCDFPTMKU-GOSISDBHSA-N 433.733 4.500 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C1 1657660124 VPWCFZNPFPHXQI-WCZGSDDISA-N 445.629 4.610 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2)c1ccc(Br)cc1 1658847008 LCWNFSYKVFLQMM-SUMWQHHRSA-N 429.314 4.667 30 10 IJEE CC(C)(C)[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1661800884 HSMMLFITWMBNBP-GXTWGEPZSA-N 431.371 4.591 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)cc1 1666815845 VQLWHFFNLZEFDT-HYBUGGRVSA-N 448.629 4.511 30 10 IJEE Cc1ccccc1Oc1ccccc1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1668588507 DKQIIUWHUJIQRR-DEOSSOPVSA-N 440.547 4.707 30 10 IJEE Cn1nc(C2CC2)cc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1668736322 FQCPOCMKWPZCDX-UHFFFAOYSA-N 435.915 4.723 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)cc1C#N 1669598444 FCWUPVVYYFQMIH-SFHVURJKSA-N 449.555 4.912 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1 1670678383 FFGCPKCJQVZWCF-DYESRHJHSA-N 429.923 4.981 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 1673579527 NRNCDJIGARAKAD-HXUWFJFHSA-N 439.560 4.894 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2nc3c(s2)CCC3)CC1)c1ccc(Br)cc1 1674031630 YWSFQWSKZLELQW-QGZVFWFLSA-N 444.398 4.658 30 10 IJEE CC#CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675723771 LYMYQNNELAPEMK-LPHOPBHVSA-N 444.362 4.680 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(-c2c(F)cccc2F)s1)c1ccc(Br)cc1 1679807888 ZETJOVMOZZTCSJ-CQSZACIVSA-N 449.280 4.742 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2ccc3cccnc3n2)CC1)c1ccc(Br)cc1 1683511730 ANBPNULDQFVLEQ-HXUWFJFHSA-N 449.352 4.656 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=C)Br 1689863384 STTBZOJWEYCHIY-MRXNPFEDSA-N 431.378 4.521 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](OC)[C@@H](C)CC 1689863639 XXJJBQZFEBGBTD-IPJJNNNSSA-N 426.605 4.674 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1CC1CCN(Cc2cccs2)CC1 1690069693 UKIBYJNSIQKZBC-UHFFFAOYSA-N 433.625 4.687 30 10 IJEE C=C(C)Cn1c(N2CC[C@H]3CCCC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690298223 SYUFHDGOAOSEPG-WTGUMLROSA-N 429.609 4.641 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1690306004 LVHLBSYLGNRIIO-FQEVSTJZSA-N 442.604 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690424481 PYXJWNVDAMZJJF-UHFFFAOYSA-N 439.604 4.913 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H]1C)c1ccccc1 1690447527 QZZFRJHVTYIVBD-IRFCIJBXSA-N 449.624 4.864 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1nc2c(s1)C[C@H](C)CC2 1690450039 YFZVHDKUEMXEOF-RTBURBONSA-N 443.661 4.984 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1C 1690510701 CHKSAZIHSYOVBK-OAHLLOKOSA-N 425.360 4.745 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)no1 1690603606 FTANOWTWWFXWSC-DHIUTWEWSA-N 449.599 4.777 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(F)(F)Br 1705481602 JQWCDFXUBABNSY-VXGBXAGGSA-N 443.361 4.577 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1705510368 YCNJOXRVBOZCSL-UHFFFAOYSA-N 431.540 4.505 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](Oc2ccccc2)C1 1705540106 NEPTYMAXYZOVIX-YTFSRNRJSA-N 436.600 4.658 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@H]1CCO[C@@H](C)C1 1705589672 UTFAVFFCDPCGPF-XWGVYQGASA-N 448.611 4.703 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1705692025 WXOCWNOABTZORQ-OAHLLOKOSA-N 441.320 4.556 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccccn1 1705697489 VMINCLJMPLJEHH-IIBYNOLFSA-N 441.938 4.750 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1705723965 HIJNLGLSZGBEQT-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 1705795225 FHXXAMQIESLURH-SFHVURJKSA-N 447.624 4.568 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1705796403 DUHXUWGHYMFUFS-FYYLOGMGSA-N 437.632 4.531 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1705797366 VBTDUPXFQVAGHK-DNQXCXABSA-N 438.616 4.521 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705800154 PURLTRWIFXGSNU-XMSQKQJNSA-N 438.551 4.989 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCC(C)CC1 1705861577 JIOJKUQKSGBACN-HSZRJFAPSA-N 444.627 4.962 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1707075831 DVDHSBLWEJYWFJ-OAQYLSRUSA-N 428.462 4.779 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)c2c(C)noc2C)c2ccccc2n1 1707251116 CKOKSYRTCUAIQY-RDJZCZTQSA-N 443.555 4.949 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(c2ncc(C)s2)CC1 1722312900 MQSVSSSJZUBKNR-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N1CCC(C)CC1 1722476448 VXXIUPSOYVIYSM-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)C(C)(C)C1 1722523543 YLTJTUNEZVPYDZ-SFHVURJKSA-N 431.625 4.841 30 10 IJEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1722541873 UNVHANVRWSYPQT-GMAHTHKFSA-N 436.600 4.898 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CC(F)(F)C1 1722678483 RXOKPQQMMCFXEZ-UHFFFAOYSA-N 431.314 4.936 30 10 IJEE Cc1csc([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC(CC#N)CC2)n1 1725033904 ARDGWQNMKLBMGF-INIZCTEOSA-N 438.576 4.707 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1 1729400767 AHHPFGAGWYJSLB-UHFFFAOYSA-N 439.928 4.721 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)CC1CCC1 1740570172 BWWFCMNEONFAKO-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC[C@H](F)C1 1740673052 FLFQKNJFBBQIOX-ICSRJNTNSA-N 432.971 4.849 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1740673577 ZFZZPUIXDXSOFJ-WIOPSUGQSA-N 433.644 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1nnc(C(C)(C)C)s1 1740730259 WCCAJWPEVCCWDR-JOCHJYFZSA-N 441.004 4.788 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(CCOCC)CC2)CC1 1740823539 DHJDYBKQLBBDJC-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1740843843 RCQCUMYYFNYJLX-AZUAARDMSA-N 442.007 4.843 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1ccsc1)N(C)C 1740893717 UBGBAYJTQTYKCU-GOSISDBHSA-N 433.528 4.533 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1 1740934153 TYOBGZWTEZJSLZ-KDURUIRLSA-N 429.609 4.663 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 1740934309 XLOGJUOIEQAVEY-UHFFFAOYSA-N 447.436 4.637 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCN1CCCC(C)(C)C1 1740935503 NTKUOJVHFFCKCF-UHFFFAOYSA-N 432.616 4.630 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)C1 1740996708 QHVLERKIGAJRCS-IEBWSBKVSA-N 432.659 4.896 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1(COC)CCC1 1748643516 WLSQPBGQMOEYOB-MSOLQXFVSA-N 430.980 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(F)cc(OC)c1 1748651030 HQMIPLURVLJDKK-INIZCTEOSA-N 438.572 4.929 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCCC1(C)C 1748684079 CCFOGNZFYVRAIN-IBVKSMDESA-N 438.616 4.688 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2ccco2)C1 1748738632 KVNDUHJITYIUNN-LJQANCHMSA-N 431.323 4.836 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccnc(C(F)(F)F)c1 1748775237 GDQUHELSLVRMLX-UHFFFAOYSA-N 445.514 4.807 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749037377 CFTWJACDCZBUDY-OAHLLOKOSA-N 439.050 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCCCC1 1749115261 OJKKLULPNCICBA-UNMCSNQZSA-N 437.588 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1c(C)cccc1C 1749166246 YBDXTICREWCSIX-UHFFFAOYSA-N 437.613 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCCCOC)cc2)CC1 1749336531 NWCSEMFNVIMAFI-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(C)(C)C)C1 1749359759 PLUKCNBKXSGKTQ-NRFANRHFSA-N 440.588 4.570 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1749392886 CFOHRQKNQJLSFC-NRFANRHFSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@H]1C 1749448889 DIRAGCDHEBTFMC-LSDHHAIUSA-N 437.357 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)Cc2cccs2)C1 1749713920 AUXXLHZOTXEROA-SIKLNZKXSA-N 436.625 4.899 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CN(C)C 1760097221 BUUCNVAEYRWGQA-MOPGFXCFSA-N 446.039 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(SC)c1 1760097382 DLFBIAPYVHOTAQ-PKOBYXMFSA-N 435.597 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN(CC)CC 1760288503 FAQRWAJSJWVPLQ-NTKDMRAZSA-N 444.023 4.796 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@H](C)[C@H]1C 1760303120 BYIFOLNXWTUPCV-ZIAGYGMSSA-N 433.375 4.930 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)C1CC1 1760317180 BNVVROALPRQKTR-SUMWQHHRSA-N 437.407 4.739 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 1760348303 ILZLVLGIGJPGBI-UHFFFAOYSA-N 432.037 4.865 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)cc1OC 1760410836 SMLBIKBOFAEPRE-UHFFFAOYSA-N 435.572 4.904 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)C1 1762712730 ADIHEJOYFGFYJM-PWRODBHTSA-N 434.632 4.810 30 10 IJEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)C[C@H](C)O1 1765307467 HXQONEJZORTQHN-FPOVZHCZSA-N 437.588 4.559 30 10 IJEE CN(CCc1nccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCC1(F)F 1768860125 CTKQWOFFMDPANL-SFHVURJKSA-N 442.539 4.778 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2Cc2cccc(C(F)(F)F)n2)c1 1771531254 HQCJKMJBEKWALW-UHFFFAOYSA-N 448.399 4.514 30 10 IJEE Cc1csc(N=C2S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2c2ccccc2)n1 1772733753 AHZUSIRHPLBREU-HZPABLEQSA-N 432.530 4.607 30 10 IJEE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=N)N)CCC2 1772749946 HPJHPUBZGXFKNG-UHFFFAOYSA-N 429.484 4.779 30 10 IJEE COc1ccccc1C=NN=C1S/C(=C\c2ccccc2OC)C(=O)N1Cc1ccco1 1772757574 QOVCGYYQHOPYSA-KGXKECERSA-N 447.516 4.803 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(C)cc2Br)cc1OC 1860728206 BTMXUOXTBAQUSY-RMKNXTFCSA-N 432.314 4.776 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CC 1861028954 STCBQSJAMFBVAV-DNVCBOLYSA-N 425.957 4.869 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(Br)cc1 1861116539 DEEXTFJUUWPOOB-IURSYISVSA-N 435.406 4.930 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCO)cc1 1862384360 XFJPMCAIEHNEJX-IBGZPJMESA-N 448.346 4.862 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(OCC)c1 1862433790 KVTDHTFEIQKHCN-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)c1 1862434084 RDVDXAWYQJTRGO-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(Br)c2)ccc1F 1862510167 XYLNZWQIHQOXJG-SFHVURJKSA-N 432.289 4.883 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862560173 BCVGFURPZDJIRS-QFIPXVFZSA-N 430.504 4.938 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862560924 OOIOXPSBNFJHCU-HSZRJFAPSA-N 441.462 4.668 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862679180 WVNAPZBNWOSMKX-NRFANRHFSA-N 437.467 4.825 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 1862735302 HRFKTCWKZDGOTI-FQEVSTJZSA-N 426.444 4.893 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(N(C)C)c3)C2=O)c1 1863029923 NMEUJEJMWQEKBZ-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2cc(C)ccc2C)C1=O 1863398168 FWJCGDROIHYTPQ-UHFFFAOYSA-N 429.564 4.918 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCO)=C(c2ccc(OCCC)cc2)C1=O 1863683433 NPWOURQWKSCTNO-UHFFFAOYSA-N 444.616 4.668 30 10 IJEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1870149270 PCVLKLOBEJPIQL-UHFFFAOYSA-N 443.282 4.568 30 10 IJEE C=CCOc1cn(CCCCC)c(CN2CCN(c3ccccc3Cl)CC2)cc1=O 1870385900 RCFXLLISSTWDIQ-UHFFFAOYSA-N 429.992 4.579 30 10 IJEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1cccc(N(C)C)c1 1871085545 YDYSMMXOVFRWHD-UHFFFAOYSA-N 433.552 4.560 30 10 IJEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1871199838 BLHVLAKRHYESGO-UHFFFAOYSA-N 439.339 4.675 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871370008 CLMAHDZFXSEHQP-UUYOSTAYSA-N 434.419 4.743 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)ccc2C1=O 1871424735 VDWGBOAUVBFQQY-AOBKZXEFSA-N 443.499 4.958 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871890750 OUQQSDQOTYCLMH-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(F)cc1 1872099954 HORNLJBDXIADJS-JOCHJYFZSA-N 443.544 4.537 30 10 IJEE N#Cc1ccccc1NC1=C(c2c(Cl)cccc2Cl)C(=O)N(Cc2ccccn2)C1=O 1873285815 RMEARSPGUVAUBA-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(NCCCCN(CC)CC)ncnc21 1873630194 OMXRVZXINDBBKM-UHFFFAOYSA-N 438.551 4.543 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc3c[nH]nc3c1)n2CCCC 1873656481 BKXVKRGRKJCFJK-UHFFFAOYSA-N 429.528 4.538 30 10 IJEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccncc1 1874362693 RKVJRFAOXWIYQJ-ZXVVBBHZSA-N 427.577 4.984 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1cccc(OC)c1OCC 1874384619 ZLTCUWKXRWVRKP-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE CCCOc1c(/C=N/n2c(CC3CCCCC3)nnc2SCCCO)cccc1OC 1874408762 OPPJARZQXLWLQL-JJIBRWJFSA-N 446.617 4.555 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccco2)cc1C 1874420117 AXHNCIXUPQYBRQ-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(C(C)C)cc1 1874435087 MDMCHYHPONKXAV-BRJLIKDPSA-N 441.988 4.866 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874439553 HWBJOZIWXMPPMJ-ZVHZXABRSA-N 448.036 4.943 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)c1 1874443605 GUTDJQOKGJEQDY-GQBLCDNYSA-N 438.553 4.630 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 1874450761 JFXUHEFYNSDFRY-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE Oc1nc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2)nc2ccccc12 1874496864 HWUILMLOLBRXBC-WYMPLXKRSA-N 434.500 4.508 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)N(CC)CC)nnc2C(C)C)cc1 1874509488 FLWOHTYUVSVIOK-LFVJCYFKSA-N 445.633 4.813 30 10 IJEE O=C(Oc1ccc(/C=N/n2c(S)nnc2CCc2cccs2)cc1)c1ccccc1 1874562006 WFFFQBXVCYMKNW-HZHRSRAPSA-N 434.546 4.515 30 10 IJEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc(OCC)cc2)cc(Cl)cc1OC 1874578124 XOEPHLNAAIRPJM-DHZHZOJOSA-N 431.916 4.548 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)c(OC)c1 1874588081 TWXBZDKUZKZWKL-SDNWHVSQSA-N 431.488 4.926 30 10 IJEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1)Nc1nccs1 1874593401 IEZRQABECWQSNJ-RUDMXATFSA-N 443.322 4.819 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(OCc3ccccc3)cc2)c1 1891730545 OIBMYGNCYASORE-UHFFFAOYSA-N 442.559 4.924 30 10 IJEE C#CCCCSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307257 IJIIWPHXAUGFBK-QFIPXVFZSA-N 437.561 4.904 30 10 IJEE C=C[C@]1(Oc2ccc(Br)cc2[N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 1903472299 UELWLARSSHWGFK-SFHVURJKSA-N 427.295 4.692 30 10 IJEE C=C(COCc1ccccc1)[C@H](CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922100832 ADFNTNBMCMWYNC-GOTSBHOMSA-N 432.605 4.544 30 10 IJEE CCCC#CC[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024385273 LFMQJCGGJRHBAK-JYFHCDHNSA-N 427.633 4.718 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NC 2041202245 FJOSGAWCXNBCCF-SJORKVTESA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(c2ccccc2)CCN(CCCB2OC(C)(C)C(C)(C)O2)C1 2044532331 XGPCCGGCKSMDMD-XMMPIXPASA-N 430.398 4.595 30 10 IJEE N#Cc1cc(Br)ccc1N1CCC12CCN(C(=O)OCc1ccccc1)CC2 2054429813 ZIIDLBIRFVYHLW-UHFFFAOYSA-N 440.341 4.702 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)CC[C@H]1C 2076317006 IPTDWQJOQFUAJL-JJTGBXKASA-N 446.632 4.526 30 10 IJEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)CC2CCCCC2)n1 2116148163 MDPBFYHYCZEGEW-UHFFFAOYSA-N 435.421 4.980 30 10 IJEE CC1(CNC(=O)OC(C)(C)C)CCN(c2cc(Br)cc(F)c2C#N)CC1 2118194220 JJFIKGBXMZKFLN-UHFFFAOYSA-N 426.330 4.591 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)c1scc(Cl)c1Cl 2157046665 ZMKVFJSIBRBOSI-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 2159120353 GIAZCKHSBGXDMZ-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1Br 2180923954 ZSEPXLPSLUMZFI-ZDUSSCGKSA-N 449.267 4.713 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N[C@@H](C#N)c2ccccc2)c1 2181047092 SLTMNXMEUHFRNH-KRWDZBQOSA-N 430.302 4.791 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2nc(CCC)[nH]c2Br)C1 2183011471 OLGDQDUXRSAWLS-MRXNPFEDSA-N 441.414 4.636 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OC)c(Br)c1OC 2183072790 FKWYTJYWJPSBIZ-RHSMWYFYSA-N 443.382 4.586 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CC(=O)Nc1ccc(Br)c(C#N)c1)C1CCC1 2186772044 VUYSVYWVCMMGQS-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2215767147 QQYDUNYMBJPNSF-OAQYLSRUSA-N 434.541 4.607 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 2235733089 TWQXVUBCLDVSEE-UXHICEINSA-N 435.406 4.862 30 10 IJEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)cc1OC 2296608967 XZNFIFCUJCRGII-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(F)c(F)c3)S2(=O)=O)cc1 2297378416 NQKQFUONUWFJDC-UHFFFAOYSA-N 446.500 4.821 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2cc3ccccc3o2)[C@H]1c1ccc(C)cc1 2297740909 NNKREHIESIOVEP-HSZRJFAPSA-N 432.520 4.505 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)c1 2321993730 LWBCHWSKWCDTDL-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccccn2)C3=O)cc1OC 2323098282 OHVJZJPAXGOCOO-UHFFFAOYSA-N 445.471 4.643 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C=CC(=O)O)cc3)ccc2C1=O 2323603474 IOJNHIZLIFIGCK-UHFFFAOYSA-N 442.423 4.628 30 10 IJEE Cc1c(OC(=O)C=Cc2ccccc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2323744627 UDSFFBNVTGRFDQ-UHFFFAOYSA-N 426.424 4.959 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 2323858404 RFHXZCJOHWBQSQ-UHFFFAOYSA-N 436.508 4.935 30 10 IJEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324406371 NGXGGTNTYKSTEI-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE COC(=O)c1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)cc1 2326558143 WISGJMDSXZVZLZ-UHFFFAOYSA-N 430.533 4.607 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc([N+](=O)[O-])c1 2327109057 OOWSQQRTJJPNTA-UHFFFAOYSA-N 437.525 4.667 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccccc1F 2329461634 AVHTXUXOWBRQCO-UHFFFAOYSA-N 440.544 4.552 30 10 IJEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(O)cc2O)c1 2329889272 IDBKLQUKUIGAOZ-UHFFFAOYSA-N 446.532 4.751 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2cccs2)cc1 2331122256 WSBXAAZXGYSDQY-UHFFFAOYSA-N 439.488 4.534 30 10 IJEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c(O)c1 2331478616 PPBIZMOVMWSTCF-UHFFFAOYSA-N 434.924 4.855 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)COC 2331550323 JQKAEFSEQFIMKO-UHFFFAOYSA-N 426.509 4.839 30 10 IJEE CCCSc1nnc(CCC)n1N=Cc1cc(Br)c(OCC)c(OC)c1 2331657764 JJXYNPKHZKOHCE-UHFFFAOYSA-N 441.395 4.785 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3CC)nnc2C2CC2)cc1 2331726162 KEKVVQWGDBBOFF-UHFFFAOYSA-N 433.581 4.893 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1C1CC1 2331733995 ORRJCVBISDMGEP-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339586713 JQMKDKHMNLMBMV-LUOJLBBYSA-N 443.397 4.784 30 10 IJEE C=CC[C@@H](CNC1CCC1)Cc1ccc(I)c(Br)c1 2349920193 GNZAWNIZQJDMKK-CYBMUJFWSA-N 434.159 4.931 30 10 IJEE CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2ccc(C)o2)C1=O 686496 VENHKXANGCOQRA-QGOAFFKASA-N 439.533 4.747 30 10 IJEE CCOc1cc(/C=C2/Sc3ccccc3C2=O)cc(Br)c1OCC(=O)O 882741 YAJBDYJTEMAQBU-CXUHLZMHSA-N 435.295 4.641 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 9388640 MLVIYHLAYJGNHU-UHFFFAOYSA-N 441.578 4.528 30 10 IJEE C=COCCSc1n[nH]c(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)n1 21084908 FZHBFXAJIOXDFK-LPYMAVHISA-N 429.933 4.735 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)c1 41645783 BNEJLGNNXODDKY-JJFYIABZSA-N 433.460 4.574 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1OC 41660621 VCRYLAKTJBAZLV-KSEXSDGBSA-N 433.460 4.574 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c[nH]c4ccccc34)n2)cc1 59006400 KDPVWKLQUSVWAL-VSRRSJTHSA-N 447.568 4.976 30 10 IJEE C=CCSc1nc2ccc(NC(=O)CSc3n[nH]c(N/N=C(\C)CC)n3)cc2s1 59888918 QKSPQXMYAYHVGH-SSDVNMTOSA-N 447.615 4.621 30 10 IJEE C#CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1OCC 64795344 WVFCLAJKMLXLQZ-QGZVFWFLSA-N 447.512 4.998 30 10 IJEE COc1cccc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)c1OCc1c(F)cccc1Cl 169937083 HTUDGBFMCLTRLU-FQEVSTJZSA-N 448.947 4.791 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970898 IUEWDTPOJLJHHM-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC(C)C)cc1 169977930 XKELYHNPHWVQMM-NRFANRHFSA-N 443.927 4.742 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@H]3c3ccncc3)nc2c1 170027239 DDCYMICHYOXYKX-HXUWFJFHSA-N 444.878 4.703 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170044007 NSBQCXOTOMHSQP-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE Cn1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccco2)c2ccccc21 170084476 JKSBBQYZHPEBKC-JOCHJYFZSA-N 430.435 4.689 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)c1 170097901 MDNZHVWHFJDYGR-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 170118988 JKLORKIPGUJGKF-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)c1 170139780 JPYYZJCUODVBKY-XMMPIXPASA-N 433.548 4.877 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)cc1 170144325 XGKUKYPGVGMNIN-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccs1 170154362 JHZKAIBBEYQNCN-LJQANCHMSA-N 425.531 4.905 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3cccs3)ccc2O1 170155538 LJZTWFUEJGUJIC-YEJXKQKISA-N 435.476 4.994 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1 170227233 QQCQMKRHFNNXCS-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2F)s1 170248039 XBLKVOXORIYHOK-SFHVURJKSA-N 426.444 4.821 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)c(OC)c1 170300328 FZFKWLWHNRYVIN-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1c(C)[nH]c2ccccc12 170311852 SBAJTFTZANKCAN-HSZRJFAPSA-N 448.519 4.872 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 170364113 VXNDLVCKVLNTMC-OAQYLSRUSA-N 449.484 4.658 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2OC)cc1 170411495 XRQCKHJWXRAYNO-XMMPIXPASA-N 443.499 4.525 30 10 IJEE C[C@@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](c2ccco2)C1 440836645 VGIXMDRHSVDQCD-APWZRJJASA-N 434.496 4.615 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Br)cn1 463444495 RPBOYYGHNJATKB-UHFFFAOYSA-N 431.359 4.801 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Br)c(F)cc1F 466673866 WAUSDJHKCFUIMR-UHFFFAOYSA-N 426.217 4.856 30 10 IJEE N#Cc1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)ccc1Oc1ccccc1 490482843 CGSGJGUKOHFAHJ-HSZRJFAPSA-N 427.460 4.720 30 10 IJEE CCOc1cc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526604253 MGXBQKNEXHVPRF-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1O 526800581 UMLJXTGBRMGHIF-XYGWBWBKSA-N 430.533 4.758 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)s2)cc1 540781208 DJVGUUPZCGEHED-UHFFFAOYSA-N 437.952 4.946 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 586090539 ASVCYWIYVXQNJQ-FXQXWKLFSA-N 449.595 4.907 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 604487951 VCQCWHFZSVRUCJ-IBGZPJMESA-N 426.314 4.542 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)n1 731223152 AIJSPZVEKSYKDF-MOPGFXCFSA-N 447.589 4.696 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H](O)c3ccc(Cl)c(F)c3)c2)s1 762586168 DEGMCPXNRRLVMG-LJQANCHMSA-N 429.904 4.612 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@H](C(=O)OC)c3ccccc32)c1=S 766364513 LSGLURLBMHYKMS-FQEVSTJZSA-N 434.565 4.700 30 10 IJEE C[C@@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)c1cccc(Cl)c1F 782098731 POXGXCSYZFUELG-MRVPVSSYSA-N 434.798 4.867 30 10 IJEE CC(=NNc1nc(SCC(=O)c2ccc(C)cc2)n[nH]1)c1ccc(Br)cc1 1084197623 HBTRLQCWAJMGHE-UHFFFAOYSA-N 444.358 4.687 30 10 IJEE COc1ccc(OC)c(C=NNc2nc(SCc3ccc(C(C)(C)C)cc3)n[nH]2)c1 1084519221 WYBZIZQFRXUSDE-UHFFFAOYSA-N 425.558 4.858 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1)c1nc(-c2ccccc2)cs1 1124413306 GWOWWKVQPPRMNO-QFIPXVFZSA-N 449.532 4.540 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3ccc(Br)cc3C2)CCCN1C(=O)OC(C)(C)C 1128957549 KOZNULXJPVVTKQ-JOCHJYFZSA-N 449.389 4.680 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1 1134861905 KJNHMRHWZCLXAV-LJAQVGFWSA-N 428.535 4.681 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)c1 1136054895 LWOIJHIHIHFSKE-AREMUKBSSA-N 445.584 4.978 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1155359436 PVVYEVLGCBWKNB-FQEVSTJZSA-N 442.600 4.747 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C12CCC2 1163819283 HDIXJVOJSSMTDE-FCHUYYIVSA-N 431.536 4.791 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1 1169013221 CZJPJTYCPKPLLT-WMZHIEFXSA-N 425.960 4.666 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CCCN(c2ccccc2Cl)C1 1177924513 KLTYRKLLVSRBOC-SFHVURJKSA-N 433.777 4.873 30 10 IJEE C#C[C@H](N[C@@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)c1ccc(Cl)cc1 1182152556 PAMYYIKJQSOZSZ-UGSOOPFHSA-N 432.973 4.876 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 1184410739 LZJJMHMGRKYZEL-UUOWRZLLSA-N 432.992 4.869 30 10 IJEE CC(C)(CO)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 1199244749 GIOIJIDRVNWNRY-QFIPXVFZSA-N 430.508 4.669 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](O)c2ccc(Cl)c(F)c2)cc1OC 1201802938 GTUMXMQUGCHKDZ-KRWDZBQOSA-N 444.728 4.638 30 10 IJEE C#CCN(C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 1204009925 ZEBLXZCLTBLEDB-INIZCTEOSA-N 446.617 4.525 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 1209386296 CQQMOPQLKQHAFP-HSZRJFAPSA-N 438.936 4.605 30 10 IJEE C=CCCC1(CNC(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCCC1 1225877659 CAAKPJMCNSYGTG-LJQANCHMSA-N 448.405 4.689 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1nn(C)cc1Br)c1ccc(C(F)(F)F)cc1 1230693442 HNASSXIPLWOUSY-OAHLLOKOSA-N 445.283 4.708 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1251830868 NNPBEGRLBBBITL-VXKWHMMOSA-N 435.568 4.839 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1F 1252479585 PJOLQKLJSGKGAF-MENVHETRSA-N 429.706 4.882 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCO[C@H]1CCCC[C@H]1C 1286455805 ZITSXUNZHVEAPP-YKSBVNFPSA-N 447.558 4.714 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)CC1(c2ccccc2)CC1 1286537673 HUZFJPBUTKIPTJ-GOSISDBHSA-N 431.378 4.596 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1Cc1cccs1 1286630074 LREJXHKPYCIYFG-SFHVURJKSA-N 428.989 4.903 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286691829 RVXSTCNAOGGNDT-VXKWHMMOSA-N 425.621 4.749 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286701691 CBRMCZTXDCZLMO-DEOSSOPVSA-N 426.568 4.561 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1ccc(F)cc1 1286718340 GCHBZUYMNXDCDO-VOIUYBSRSA-N 440.588 4.800 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1cscc1C(F)(F)F 1286767247 LDZYHCVUOPTEGQ-UHFFFAOYSA-N 447.486 4.584 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@@H](OC)C(C)(C)C)C1 1286802993 FRWXPJSYNHMSDI-FGZHOGPDSA-N 438.616 4.591 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 1286823586 OOQSELKSEUGDPC-HXUWFJFHSA-N 441.645 4.939 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCSC[C@@H]1C 1286829239 GVOXZZUQCWIGNS-AWEZNQCLSA-N 439.448 4.569 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2cccc(OC)c2)CC1 1286831313 YAOQUOACRHZPQK-UHFFFAOYSA-N 449.624 4.960 30 10 IJEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1287610448 FHTMWTOLRNKJQP-QHCPKHFHSA-N 434.632 4.811 30 10 IJEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)C1 1288896008 GVJSGNVRNMCNNI-DVECYGJZSA-N 435.597 4.658 30 10 IJEE COc1cccc(CC2(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)CCCCC2)c1 1290399969 GWCXMZYYXBQTJD-UHFFFAOYSA-N 445.607 4.794 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCSC2)cc1OC 1294919863 BXDRIANMKWISPZ-QZTJIDSGSA-N 443.617 4.624 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12 1295454782 DGVSPHCARZKHSO-PEISPCAHSA-N 433.658 4.839 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCN(CCC)C(=O)OC(C)(C)C 1295820398 GGQYUKMZLFBWME-UHFFFAOYSA-N 430.467 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC(CC)(CC)OC 1300276599 NQZSGELOAKJFTR-AWEZNQCLSA-N 437.357 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1300321867 OXOOHFXJGPNECB-UFYCRDLUSA-N 438.616 4.816 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H](OC)C(C)(C)C 1300648277 BNFCPZZPAAIAQF-JOCHJYFZSA-N 426.580 4.851 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1300743307 MCHYMJBDGKGQCJ-UHFFFAOYSA-N 446.064 4.523 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCCCCCC1 1300896528 GOYSZCPRFASSIK-HYBUGGRVSA-N 440.588 4.617 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CCNC(=O)C(C)C 1300937355 SJHYZBCSKCABHR-UHFFFAOYSA-N 441.576 4.597 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(Cc1ccco1)C(C)C 1300951067 XQEPSBKFCBTWRV-UHFFFAOYSA-N 443.592 4.977 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301023028 ALVOXXDAKFSAPV-LRDDRELGSA-N 426.826 4.600 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(C)CCCS2)CC1 1301119752 VCPLACDDMFZMFX-HSZRJFAPSA-N 428.602 4.650 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 1301163636 LAQMZLZBEPERTM-YMPZKCBVSA-N 437.632 4.893 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2cccc(I)c2)C1 1311147072 WPOFPESHCPWSBF-OAHLLOKOSA-N 446.288 4.961 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1350122398 ACNNBFGGFYRCCJ-VFNWGFHPSA-N 437.378 4.972 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ncc(Cc3ccccc3F)s2)cc1Br 1350606400 FEJSEOIWCNMCRK-UHFFFAOYSA-N 446.301 4.525 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 1351529118 SROVUVJVLJOUBY-TZIWHRDSSA-N 444.453 4.622 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC1(CCOCC)CCCC1 1358882175 UUODOYXYSUXQJX-HXUWFJFHSA-N 431.584 4.938 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1358905901 PANNAEZSVLCNFA-OXJNMPFZSA-N 443.389 4.515 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(C)C)C1 1358906425 HUPUWUDXIQECTQ-HXUWFJFHSA-N 426.630 4.940 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[C@H]1CCCCO1 1358973167 ICEYYPNJRPWOLP-OAQYLSRUSA-N 448.567 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1359091581 PAOGDPIGSAGWPE-JTAQYXEDSA-N 439.604 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCC(F)(F)F 1359102268 ZISZIFACBXJNQH-IERDGZPVSA-N 447.505 4.720 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccsc1 1359105097 JRQJPRATEYOOSO-MXEMCNAFSA-N 444.645 4.876 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359156542 JHDSSALEIFPGLM-MRXNPFEDSA-N 427.401 4.838 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1359188902 XALRHSFDNQLQOU-CTNGQTDRSA-N 428.577 4.553 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1359196924 XXZTYCXWKOWDJZ-LEWJYISDSA-N 445.652 4.538 30 10 IJEE C=CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)C(C)C)C1CC1 1359246886 NWTKWIWDGCRSGE-DEOSSOPVSA-N 437.613 4.939 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCC1 1359257376 IUPNDXHDAZWYGI-ZEQKJWHPSA-N 436.600 4.868 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nc(C)cs1 1359279407 FCBBFBJZIIKCMB-UHFFFAOYSA-N 425.602 4.695 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1359290787 PNTFHQRHVLJYQX-YTFSRNRJSA-N 438.616 4.611 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](OC)C1 1359337691 XYOPWLRAMPAXLL-QFBILLFUSA-N 437.009 4.606 30 10 IJEE CC(C)(C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1)c1cc(F)cc(C#N)c1 1359818343 AZTVMZGWBHECRA-UHFFFAOYSA-N 430.479 4.648 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1434952788 JTXQGVNDEXOERD-QHCPKHFHSA-N 436.552 4.615 30 10 IJEE COc1ccc(C(=O)N2CCC[C@@H](C(=O)O[C@H](C)c3ccc(C#N)cc3)C2)c2ccccc12 1435360369 AHVNJMICJYHLIC-WIYYLYMNSA-N 442.515 4.877 30 10 IJEE C/C(=C\C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 1435599279 HLLSEOSDYLTAOY-RVDMUPIBSA-N 429.442 4.882 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 1435671442 SVZALZUQCTWHHB-INIZCTEOSA-N 445.357 4.941 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 1436556597 GFMDGRUPIAOWHT-JYFHCDHNSA-N 439.559 4.978 30 10 IJEE COc1cc(CN2CCN(c3nc(C)c(C)s3)CC2)ccc1OCc1cccc(C#N)c1 1459874196 FRVJILHOBSGEJA-UHFFFAOYSA-N 448.592 4.541 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 1465320935 BDTFSWGKCWAZBO-QGZVFWFLSA-N 430.483 4.852 30 10 IJEE C=CC[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c1ccncc1 1468884300 MURFLAFJUKBWOX-LEWJYISDSA-N 442.604 4.766 30 10 IJEE C[C@](CO)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CCCCC1 1476094841 DVWXKOJSIPLAJD-XMMPIXPASA-N 425.504 4.729 30 10 IJEE C#CCOc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 1476429329 FGDSVGSCIIFZTJ-UHFFFAOYSA-N 432.351 4.792 30 10 IJEE CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(C#N)CC1)Oc1cccc(F)c1 1497370332 IEXDRIYIWXOMHY-OAQYLSRUSA-N 425.552 4.747 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1507559534 UEAHVZZAMVAJSO-UHFFFAOYSA-N 447.608 4.517 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1507578371 ZUMAMLAPZPABHX-INIZCTEOSA-N 442.336 4.582 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1507664205 PMBVHUZNMJCPGC-UPVQGACJSA-N 432.612 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Cc1ccc(OC)cc1 1507761360 FTLTUYNCLUWKCG-IQGLISFBSA-N 449.986 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCCCCC1 1507769498 AGXSLCQUWSWNRE-HSZRJFAPSA-N 426.992 4.600 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 1507924725 SIRMVZOSVRJWLX-FQEVSTJZSA-N 449.559 4.708 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H]2C(C)C)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1507930212 UKGDGTQQGSPTND-UMFSSWHCSA-N 438.616 4.915 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H]1C 1507959496 QACBXGURNWGFIV-KBPBESRZSA-N 425.396 4.597 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CC1 1508005900 BFOUILXMBFQFNB-MRXNPFEDSA-N 444.988 4.851 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC(OCCC(C)C)CC1 1508046630 FDUHLAXMEWHREE-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)s1 1511423890 BXXGOFQZPXALHQ-HNNXBMFYSA-N 432.553 4.923 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](C)Oc2ccccc2Br)cc1OC 1514990962 YOMBWRRQTSFYFT-DMIOIOJGSA-N 446.341 4.619 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1515699724 CKWNWQWCCIRPAI-VWLOTQADSA-N 433.556 4.561 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Oc1ccc(SCC(=O)OC)cc1 1516457166 PIBJFFJWPBBMNO-UHFFFAOYSA-N 426.412 4.755 30 10 IJEE C=C[C@H](C)NC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1518859379 MYZAGQZQDCNHSJ-FQEVSTJZSA-N 436.577 4.733 30 10 IJEE C#Cc1ccccc1CC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 1525360185 NFZCRNSJWCLDQJ-AWEZNQCLSA-N 425.351 4.974 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC(C)(C)c2ccc(Cl)cc2)nnc1-c1ccco1 1526313123 ATZSUGJOOWVGQQ-UHFFFAOYSA-N 444.988 4.954 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2cnn(-c3ccccc3)c2Br)cc1C#N 1526612369 HOPQVDLKNPUQSO-UHFFFAOYSA-N 439.313 4.936 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(Br)cc(I)c1 1534159397 VGLNKBKKZCEEMN-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C(C)C)C(C)C 1538970765 FEOWVLPXPNIXDW-IRLDBZIGSA-N 425.621 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC[C@@H]1CC 1539300569 CYWRLLRPMAZEGA-AZUAARDMSA-N 426.511 4.836 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C(C)(C)C)cs1 1539350186 DGLXCEDBPPZUAN-UHFFFAOYSA-N 445.539 4.808 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCC 1539645551 QZKCIHZBAPPJAK-YWZLYKJASA-N 439.387 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(-c2ccccc2)c1 1539678919 YGBBPKPTGBVNIA-DHIUTWEWSA-N 448.615 4.833 30 10 IJEE C=C(C)Cn1c(CC2CC2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1539711859 BVYJIIQQPCEHFD-UHFFFAOYSA-N 439.913 4.806 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC=C(C(F)(F)F)CC1 1539728067 CHRCVZLTCVTOEL-UHFFFAOYSA-N 426.870 4.890 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1539891855 LMZTVPKFDAQQTH-FQEVSTJZSA-N 431.584 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539906174 LIDCLDYAMCTCAP-MRXNPFEDSA-N 428.886 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1scnc1C 1539906299 LSTNUXCGXATVEA-UHFFFAOYSA-N 441.601 4.966 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1539959202 HHIISKSTQNOJJK-HSZRJFAPSA-N 435.547 4.786 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CC=CCC1 1539961562 ZLHKTDRVTSJXMK-FQEVSTJZSA-N 446.599 4.824 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C 1540151661 KLEAGZGWVRWZGZ-YFNKSVMNSA-N 434.632 4.726 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCC[C@H]1C 1540154584 ZQZSPDHMXKJRMI-VFNWGFHPSA-N 449.368 4.576 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H]2C)C1 1540896339 KHZQAYPWHSNWSU-WAOWUJCRSA-N 430.980 4.728 30 10 IJEE C=CC1(CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)CN(C(=O)OC(C)(C)C)C1 1543339139 PIVLACMZQQIEBQ-UHFFFAOYSA-N 449.551 4.999 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)c(OC)c1 1544277655 VMNPPIMYHUWUOC-IBGZPJMESA-N 443.971 4.946 30 10 IJEE C#CCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 1544541550 CPOHBVTVHUOFCJ-UHFFFAOYSA-N 443.956 4.617 30 10 IJEE COc1ccc(/C=N\N=C2/S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)cc1 1554646026 AFBZLDUCXXIVJW-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE C#C[C@@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CCC2 1556310439 XMNARNPHOSISQN-JFPYRBRCSA-N 426.516 4.880 30 10 IJEE Cc1ccc(C[C@@H](CO)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1C 1556917251 HODQQZCVIWMFQY-QFIPXVFZSA-N 434.923 4.954 30 10 IJEE C=CCn1c(SC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccccn1 1559383245 OKAZIDCQHMAQBT-QGZVFWFLSA-N 429.590 4.655 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 1562929535 YIBKJKGGWXEMCO-PBHICJAKSA-N 436.350 4.858 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](c1nccn1C)C(C)(C)CO)c1ccc(C(F)(F)F)cc1 1564407072 VMQFJQBWGINBDK-ZWKOTPCHSA-N 438.494 4.505 30 10 IJEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N 1586711536 GKLPOZOXLKFVEB-VGOFRKELSA-N 449.551 4.716 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC)c1 1587689616 NGXDJHIJISZPQU-QGZVFWFLSA-N 447.608 4.598 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1cccc(C)c1 1588259258 XIOFHTXINZENEQ-QPTUXGOLSA-N 432.612 4.772 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCN1CCCC(C)(C)C1 1588550100 HZAWBTCIQDDUTL-UHFFFAOYSA-N 437.607 4.837 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H]1CC 1589028021 WOYXWLQOWJYZTO-IBGZPJMESA-N 436.581 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCN(C)CC(F)(F)F 1589608299 DEJSWALIZNDJIP-UHFFFAOYSA-N 435.494 4.978 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccsc1 1593666490 BLBSYKFNZQBIRM-UHFFFAOYSA-N 433.375 4.894 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)C2(CCC2)C1 1593770100 VZSMFVBAKDXPAE-LJQANCHMSA-N 428.552 4.605 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CCCCC2)CC1 1593840418 HSJOPOXHTOMAHK-UHFFFAOYSA-N 438.378 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C)(C#N)CC1 1594484284 PXMRXSFBOXGABQ-UHFFFAOYSA-N 429.572 4.863 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCOC1 1595127558 TWCKUAUUUVTKRA-QGZVFWFLSA-N 441.938 4.752 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2ccsc2)C1 1595754645 PNAHWBBMLYFKNT-FQEVSTJZSA-N 440.638 4.964 30 10 IJEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H](C)c3ccccc3)C[C@H]1C)C2=O 1615243688 OYUYSZCZONPIPF-QWJLCTJOSA-N 441.911 4.515 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C 1616745349 QSJDBEULIGPSEL-UHFFFAOYSA-N 439.364 4.842 30 10 IJEE COc1ccc(Cl)cc1[C@H](CC(C)C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 1621814389 FGODRYHESBOCPW-SFHVURJKSA-N 427.353 4.939 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1625282221 QLDBPEXKVVCPSJ-GOSISDBHSA-N 433.335 4.883 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1c(Cl)cccc1OC 1625539246 SZKJVMGCIXKSMB-UHFFFAOYSA-N 425.710 4.998 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 1629500564 UKUZZNVBZOGWJM-SFHVURJKSA-N 438.952 4.527 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)ccc2c1=O 1630294718 GAJZKYAOPPORJX-HXUWFJFHSA-N 439.556 4.918 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@H]2[C@@H](O)c2ccccc2)s1 1631507223 CDWONQIMGCZPDE-PXNSSMCTSA-N 437.030 4.953 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C 1632046360 AGWQRIFIWUPTCK-PILYLSNXSA-N 448.563 4.542 30 10 IJEE C=CCC[C@@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 1632367103 GCVKLXKKHWILOJ-GOSISDBHSA-N 426.385 4.537 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1637048195 XLOPWFMZISXXHR-DYLHXGEVSA-N 444.575 4.954 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1 1637573835 BPKDNFDAVHASBO-IBGZPJMESA-N 447.576 4.899 30 10 IJEE CO[C@H](c1ccc(Br)cc1)[C@H](C)NCc1cc(C#N)ccc1Br 1650854209 CJVAWUCMOLARAT-SGTLLEGYSA-N 438.163 4.949 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCc3cn(C(C)C)nc32)cc1OC 1655974632 UCWRPAKQWXAMEN-GOSISDBHSA-N 434.378 4.967 30 10 IJEE C#CCN(Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CCOc2ccc(Br)cc21 1663980537 WFSRHIOZEBHKGN-LJQANCHMSA-N 442.382 4.870 30 10 IJEE C=CC[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccncc1 1669191356 FJRPWBNSOZWQOA-KKUQBAQOSA-N 426.564 4.666 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1670805597 UPJSQGFZTONGHU-SJORKVTESA-N 443.466 4.585 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(CCOC)[C@@H](CCC)C1)c1ccc(C(F)(F)F)cc1 1670826903 PREMGKFPTDTKIK-SFTDATJTSA-N 441.538 4.855 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1671424793 FQIZHIMUCPGHCR-ZCYQVOJMSA-N 444.579 4.878 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cc(Br)cc(I)c1 1672049729 SRYAXCMEONUTFJ-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE C=C(C)[C@H](NC(=O)N(C)C[C@@H](O)c1ccccc1Br)c1ccc(F)c(F)c1 1680280274 LUGWYLHUMNJYKN-MOPGFXCFSA-N 439.300 4.720 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1683680529 DTMJNLMCRNZMAL-OALUTQOASA-N 433.733 4.640 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccc(Br)cc1 1686919545 HNZJKXZAJMZOJZ-OXJNMPFZSA-N 429.383 4.947 30 10 IJEE C=CCCCN(CC)C(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1687792267 IVSGLHMZOSILEN-CPJSRVTESA-N 443.588 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccc1OC 1689835337 KQDXMXQECBVTLF-GOSISDBHSA-N 434.609 4.985 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@H](COC)C1 1689876897 LMDQJQICPDVGSM-SFHVURJKSA-N 445.405 4.764 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1689884526 YSCQYXCELDWKAG-OAQYLSRUSA-N 431.540 4.502 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1689900498 GSOWLPDOHCZXQN-NRFANRHFSA-N 428.527 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1Cl 1689952300 ANMICHFQPXBXOE-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCOC1CCCCCC1 1690028238 ORLYSBXGXDHZAT-UHFFFAOYSA-N 436.625 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1cccc(C)c1 1690198677 YFNIRGNEGORZMO-HOYKHHGWSA-N 435.959 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCN(C)C1CCCCC1 1690212166 ALYYLOFPOYHWFE-HHHXNRCGSA-N 449.643 4.812 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCCN2CCC[C@H](C)C2)CC1 1690380630 RSZZPLUJMMBTHR-QHCPKHFHSA-N 437.632 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690422139 FLIORRFCYDVEPE-RBBKRZOGSA-N 449.643 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1690428662 XRLSNNLZHSRDLD-QFIPXVFZSA-N 448.615 4.984 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690456226 ZWJHQCVJPBZKNT-HNAYVOBHSA-N 448.398 4.665 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1690462289 CWWFUCZTOIGUNU-VQTJNVASSA-N 447.624 4.617 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1csc2ccccc12 1690517394 DMZZSDQDCFLSHB-UHFFFAOYSA-N 428.359 4.921 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@H](C(C)C)C2)cc1 1690680727 ZXKYMSLAXIQIJI-FQEVSTJZSA-N 437.613 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCCC2)C1 1690690444 YVJMDEMETCZJBM-VXKWHMMOSA-N 444.023 4.500 30 10 IJEE CCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CCCC1 1696090174 CCQSQDPQHZRORU-UHFFFAOYSA-N 447.505 4.945 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCC1(F)F 1705621168 URCOAJCCADERKR-AZUAARDMSA-N 432.490 4.734 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(C)C)C1 1705654407 HEXWDKRFQYJXTG-CQSZACIVSA-N 439.448 4.618 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(C)C)C1 1705709372 OBTJKUPDRVQBTH-RQTOMXEWSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)NC1CCCCC1 1705719452 ZLYVKRRFXWQKQR-UHFFFAOYSA-N 448.615 4.523 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1705721374 XINDOWTXDXKQMJ-TZIWHRDSSA-N 440.588 4.646 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705729856 AWICHCTWVZKVFG-AHRSYUTCSA-N 430.980 4.756 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705731562 XBZJMVDJHPMQFV-GGAORHGYSA-N 448.615 4.660 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCOCC(C)C)CC1 1705766246 SQMNTVANEQQHTJ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)c2ccccn2)CC1 1705778284 QDTHKHKYQYWELB-UHFFFAOYSA-N 447.583 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN1CC 1705868326 ITSGTCGMIUWIIY-QFIPXVFZSA-N 435.641 4.916 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1CCCCC1 1705883106 VSZKOLJNVPWUTF-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)C1 1709292398 DVHROUDXIXZXPU-QHAWAJNXSA-N 434.632 4.810 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCCc1nc2c(s1)CCCC2 1722345450 QBFULGJLWUXNKM-HXUWFJFHSA-N 433.625 4.858 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSCC(C)C 1722390056 OVLVRCCYGJLDIS-IBGZPJMESA-N 440.682 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)Oc1ccc(Cl)cc1 1722516326 XMPBSQGGOYSLGU-IBGZPJMESA-N 442.995 4.663 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)Cc1cc(Br)cs1 1722532446 MDAAPYVNSHBCQI-UHFFFAOYSA-N 439.423 4.989 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](CC(C)C)N(C)C)CC1 1722573967 FESUABALDHBBGN-CTNGQTDRSA-N 443.611 4.936 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@H](C)N2CCCCC2)CC1 1722579807 TYKDWULPDIERIH-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1nc(C)no1 1722668570 SQWKUULRKRHNJZ-MRXNPFEDSA-N 438.601 4.634 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cn1 1722668611 USJWONNLCVEZOM-UHFFFAOYSA-N 434.338 4.530 30 10 IJEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1722689299 RJPGCBIDUGHESJ-YADHBBJMSA-N 447.583 4.619 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(OC)CC1 1722743135 RGWCOAPUTXASLZ-XMMPIXPASA-N 444.645 4.789 30 10 IJEE Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1 1724120309 ABJDLPKCFQOCFK-GOSISDBHSA-N 441.482 4.702 30 10 IJEE CCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1728908098 AJMLJGBEMWTSAA-IBGZPJMESA-N 442.567 4.799 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740567556 LHWUTJQETRPAGT-KVSKMBFKSA-N 430.394 4.854 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC)Cc1cnn(C)c1 1740584921 LRZUPXUEXLUDSS-UHFFFAOYSA-N 445.596 4.550 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740585572 WFAJPGMPVSJVRR-GOSISDBHSA-N 446.580 4.580 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1nc(C)c(C)s1 1740601894 MMHHAIOFKZHVHA-UHFFFAOYSA-N 448.621 4.762 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCN1CCCC(C)(C)C1 1740677495 LTDIMYPKFFCHHH-HXUWFJFHSA-N 425.596 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](C)c1nc(C)cs1 1740733369 BSZOEEKWIMDARI-MHECFPHRSA-N 435.597 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCc2ccccc2C1 1740775457 BMBMIECFWRQUBF-UHFFFAOYSA-N 444.627 4.503 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C)c2ccccc2C1 1740779594 PCILTJWGEZJLBI-UHFFFAOYSA-N 444.402 4.802 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1740791661 OYFWBSFKUZZDIP-NFBKMPQASA-N 434.588 4.738 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1740842599 FVLALZPILKSQFK-VJANTYMQSA-N 442.526 4.698 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740861080 ACJRELQIVNSXIE-LJQANCHMSA-N 434.588 4.668 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1740862708 CDOFERQPCUKIQT-LJQANCHMSA-N 444.004 4.913 30 10 IJEE C=CCCCCn1c(N2C[C@@H](C)C[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740866658 KLESCUHEDLZPHN-LWYYNNOASA-N 431.625 4.887 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1c(C)noc1C 1740901743 JBBDVDQMNUCPQR-UHFFFAOYSA-N 433.512 4.587 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CCOC(C)(C)C)C1CC1 1740913998 YAGJFKZLEHRBPW-UHFFFAOYSA-N 449.393 4.590 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2CN2CCCCC2)C1 1740972942 PABNPWOYHRTXKE-ZJSXRUAMSA-N 437.632 4.607 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC[C@@H]1CC 1748776841 RVQUUKXRBWJVFW-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCCCC1 1750298601 AIGPOEVTNQPJHQ-UXHICEINSA-N 440.661 4.517 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](c1ccco1)N1CCCCC1 1751659490 AZDHVGMXFCWIOS-IRLDBZIGSA-N 432.572 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nc(C)c(C)s1 1760328859 GSTYKKKMJVCYOL-UHFFFAOYSA-N 438.601 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C 1760411174 FWDZSGDIMSTBLU-QZTJIDSGSA-N 434.588 4.512 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCO[C@H](C)C1 1760433206 BOYXCGUJPPTKNK-CQSZACIVSA-N 439.785 4.942 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760435573 NWEGFTYVRLIOIN-QUCCMNQESA-N 425.577 4.569 30 10 IJEE C=CCCCn1c(N2CCCC[C@@H](SC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760444718 OWGILTYGQQLPCS-CEXWTWQISA-N 449.665 4.737 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CC(F)(F)CO1 1760456831 YELOXCONRYPXHH-NVXWUHKLSA-N 440.922 4.735 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)c1nccs1 1760458790 UBXSGAFWACIFFG-KRWDZBQOSA-N 435.553 5.000 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@@H](F)C1 1760482051 QNFHQGDLEGNDOA-FBLLAGFSSA-N 442.579 4.650 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@](C)(CC)O1 1760487579 YOZGZQNRGWIQKU-PWHSHALESA-N 430.618 4.774 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCSC1 1760500339 YJVXMJROYRKJGL-QGZVFWFLSA-N 444.004 4.965 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2CCC[C@H]21 1760568190 BIQCVJPVQFTCLU-QZTJIDSGSA-N 430.643 4.877 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1762802391 GNYFDLUCSMQWJP-MMPATGFWSA-N 434.632 4.952 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2ccccc2F)n1Cc1ccc(Cl)s1 1770756234 AIUWZBIOMGTXNA-UHFFFAOYSA-N 429.952 4.901 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@H](C(=O)O)[C@H](C)CC)n2)ccn1 1857836389 OPLYGHUCJKESIT-HXOBKFHXSA-N 431.540 4.781 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862411821 PRZHGXVBIZNRDB-LJQANCHMSA-N 427.428 4.510 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Br)cc1 1862423143 VYRDUVQSNCMWTM-QGZVFWFLSA-N 436.252 4.716 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC)c(OCC)c1 1862453984 MTGXXZUEYABZHR-NRFANRHFSA-N 441.911 4.902 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1Cl)c1ccc(Br)cc1 1862470669 SYBBCHDKRINPSJ-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Br)cc1 1862496101 BLSNDWITFALCKX-LJQANCHMSA-N 426.310 4.830 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862505209 AHXPVJRLWYLQOB-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(O)c(OC)c2)cc1 1862518019 AIRNJOZGQOLKMJ-NYHFZMIOSA-N 439.508 4.566 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(O)c2)cc1 1862534386 SDBSYYOGPFKMJQ-JOCHJYFZSA-N 433.529 4.837 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(OC)c1 1862549463 PMPWECCREBRVQE-WNSKOXEYSA-N 435.520 4.656 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)c(O)c1 1862549499 QBZBJDJKKNBPPT-IQMFZBJNSA-N 435.520 4.656 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862561276 RUDCYKMIVFMOKD-DEOSSOPVSA-N 437.499 4.837 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccccc2F)cc1 1862614749 DNROGKBODBXZED-QFIPXVFZSA-N 439.527 4.864 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862673887 HAGCDWCLSULUMX-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862885433 UCLIWGHRWBYHLW-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029630 RRFRNGZCIYAAKD-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)[C@H](c1ccc(Br)cc1)C(C)C 1868846343 BMMSDDNVSKITJF-SIKLNZKXSA-N 435.406 4.674 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)n(C(C)(C)C)n1 1870000687 SXGXAYLXBPXVNU-GOSISDBHSA-N 425.577 4.741 30 10 IJEE CCOc1ccc(/C=C(/C(=O)Nc2c(C#N)nnn2Cc2ccccc2)c2ccccc2)cc1 1870106755 WSZGENKPQAJHNZ-JJIBRWJFSA-N 449.514 4.776 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 1870162415 STJSSMZNCYIFGK-OALUTQOASA-N 435.915 4.713 30 10 IJEE C=CCn1nc(C)c(I)c1C(=O)NCCCCCCCCCC 1871323399 KOVCXYVGDALXJT-UHFFFAOYSA-N 431.362 4.853 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)c1 1871371083 JPBYOMZQTMLCCD-CFRMEGHHSA-N 446.455 4.613 30 10 IJEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871409400 NGXGGTNTYKSTEI-YOBACFSGSA-N 444.443 4.925 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)cc1 1871424566 NOHACQGVNMEDFQ-AOBKZXEFSA-N 443.499 4.958 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 1871427061 LTNDAYHQNBDYCI-UUYOSTAYSA-N 440.492 4.741 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(C)(=O)=O 1871947786 KANYXWUKTKMSBG-GOSISDBHSA-N 427.353 4.511 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872255960 YHQOQFHIOAJIPI-XMMPIXPASA-N 434.561 4.942 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872374017 BAVHFKCMQQIMAS-OAQYLSRUSA-N 436.524 4.566 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872490221 LTBDREUSULAYSZ-SFHVURJKSA-N 441.018 4.940 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)[nH]c2c1 1872816671 PVMLYWTTWQDJPP-UHFFFAOYSA-N 434.565 4.725 30 10 IJEE CCCCCCCCN1CC(=O)C(c2nc(-c3ccc(NC(C)=O)cc3)c(C)s2)=C1N 1873528090 GHEQMSSFCOONLN-UHFFFAOYSA-N 440.613 4.949 30 10 IJEE CCc1ccc(OCCCc2nnc(SC)n2/N=C/c2cn(C)c3ccccc23)cc1 1874223690 YKHXKCPWRFKIOT-PCLIKHOPSA-N 433.581 4.948 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccs1 1874343157 BJOXVFKPPMELLR-SSDVNMTOSA-N 449.001 4.757 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874372315 SORBZNZYKMBYJJ-CIAFOILYSA-N 436.990 4.877 30 10 IJEE Cc1cccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874465788 BDFQNWYMRIGFON-ZVHZXABRSA-N 432.505 4.792 30 10 IJEE COCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874471725 UGLIHEJOSRCQSS-WSDLNYQXSA-N 445.932 4.512 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874475990 CPROLBUOUQNRLE-BUVRLJJBSA-N 440.569 4.821 30 10 IJEE CCCCc1nnc(SCCc2ccccc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874478810 TWMBQWIQSZFNFP-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE COc1cc(Br)cc(/C=N/n2c(C)nnc2SCc2cccc(C)c2)c1O 1874530769 ZQHLKTXWKMIEMG-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2ccc3ccccc3c2)c1OCCO 1874571600 WJGAQQRMLYAQRH-CMDGGOBGSA-N 427.294 4.878 30 10 IJEE C=CCn1c(C(=O)N2CCC[C@H](C)C2)cc2c(NCCCCc3ccccc3)ncnc21 1875229763 FEROAHHDNSWVFZ-FQEVSTJZSA-N 431.584 4.924 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 1890887676 XVTKHKOMTQRVFW-UHFFFAOYSA-N 437.503 4.502 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)c3ccc(Oc4ccc(F)cc4)cc3)CC2)c1 1891514249 CSYLRTADFOBBAF-UHFFFAOYSA-N 431.467 4.816 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1922074911 RLSQHFJECZHETL-REWPJTCUSA-N 439.552 4.827 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCCC 2110494702 JWANQDULZBCXDT-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1Cc1ccc(Br)cc1C#N 2174558595 BSECEVBWLAHVIT-KDOFPFPSSA-N 436.394 4.834 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181143752 LRICSMFCJAJBEN-GDBMZVCRSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)C1 2181155625 OYGLEQURNIKRNB-UKRRQHHQSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(c3cc(Br)cc(C#N)c3)C1)C2 2199682604 MHPKGHYYMLBHSV-VFNWGFHPSA-N 434.378 4.842 30 10 IJEE Cc1cccc([C@@H](C#N)C(=O)c2ccc(Br)cc2I)c1 2207270752 FFOMLOCRSSAHBK-CQSZACIVSA-N 440.078 4.852 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)Cc2cscc2B2OC(C)(C)C(C)(C)O2)CO1 2214601759 GKPCCPPTDDUFKB-FQEVSTJZSA-N 427.419 4.617 30 10 IJEE C[C@H]1CN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C)[C@H](C)N1Cc1ccccc1 2219972820 VTNIGALGIKQXKJ-ZCNNSNEGSA-N 440.462 4.531 30 10 IJEE CCN[C@@H](C#Cc1ccc(CC)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2231212022 APEZFNDUFBMBGQ-IZZNHLLZSA-N 449.639 4.604 30 10 IJEE CCC[C@]1([C@H](C#Cc2ccccc2Br)NC)CCCN1C(=O)OC(C)(C)C 2235721381 DILVGEPCCLFGTE-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2235734357 WNTNNGAVXNZSRT-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE CN(Cc1ccc([C@@H](O)C#Cc2ccccc2Br)cc1)C(=O)OC(C)(C)C 2235742799 ZKXRJIOMQLEZPU-FQEVSTJZSA-N 430.342 4.901 30 10 IJEE C#CC[C@@H](C[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237430701 JAVLLVYJLLVOCZ-PWIZWCRZSA-N 435.406 4.652 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239652442 KPIUSCBRRSIBFV-IEBWSBKVSA-N 439.394 4.805 30 10 IJEE CC1(C)CC(N)(C#Cc2sc(Br)c(Br)c2Br)C1 2250665545 ZDFFCYLXFWWWSX-UHFFFAOYSA-N 442.014 4.905 30 10 IJEE CN[C@H](C#Cc1ccccc1Cl)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2252757642 HXQOYOAAGVQTGD-CDNPAEQRSA-N 442.987 4.778 30 10 IJEE O=C(NCCCCC[C@H](O)C#Cc1cccc(Br)c1)OCc1ccccc1 2253244560 CASMUGZCLHTNLB-NRFANRHFSA-N 430.342 4.648 30 10 IJEE C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267113135 POXIYZPBIYEBDE-ZHHKINOHSA-N 440.437 4.664 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC[C@H]3[C@H]3CCN(Cc4ccccc4)C3)CCC2)OC1(C)C 2267458528 XXHUORPZTPGWIM-VXKWHMMOSA-N 438.421 4.516 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2268229204 COQUVSZFKFABLV-HZPDHXFCSA-N 442.365 4.506 30 10 IJEE C=CCN(CC[C@@H](Cc1c(F)cccc1Br)NCC)C(=O)OC(C)(C)C 2273815491 LLZREEHDWXTONP-HNNXBMFYSA-N 429.374 4.922 30 10 IJEE CCN1C(=O)C(=Cc2cc(C)n(CC)c2C)SC1=Nc1ccc(N2CCOCC2)cc1 2293998808 FZCBKPBZVYXVQT-UHFFFAOYSA-N 438.597 4.585 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296114152 OGCGODNOQIMXPG-LJQANCHMSA-N 438.480 4.534 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](N)C#Cc2ccc(Br)cc2)C12CCCC2 2296288113 CGNMRKDLQCEDPH-OALUTQOASA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2296293447 JSHWWRPJEDPRBX-MISYRCLQSA-N 435.406 4.720 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2296591460 JOQXVXYSLUWUFS-QFIPXVFZSA-N 446.503 4.915 30 10 IJEE C#CCOc1ccc(C=C2SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl 2297362259 VUHPMEDQLCFEBK-UHFFFAOYSA-N 427.909 4.776 30 10 IJEE COCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1 2297741541 KVEBKNMIVTVMLM-HSZRJFAPSA-N 429.472 4.547 30 10 IJEE COc1cc(C=Nn2c(S)nnc2C(C)(C)C)ccc1OCc1cccc(Cl)c1 2321908667 ZGBVFMJEPAWYQM-UHFFFAOYSA-N 430.961 4.988 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2CCc2cccs2)cc1OCC 2321988216 DTGLCEQJINSQOP-UHFFFAOYSA-N 430.599 4.873 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322115045 YDDBXWYLHGQCMO-UHFFFAOYSA-N 426.944 4.840 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)cc1OC 2322691926 VYJBPKVZCAKTQF-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1c(Br)cc(Br)cc1C=NNc1nc(C)c(C(C)=O)s1 2323840342 POFMWQRSYHQZDC-UHFFFAOYSA-N 447.152 4.634 30 10 IJEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2324606089 VUOVGQJHVGUUHV-IBGZPJMESA-N 432.501 4.870 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2325045173 LXYOMUROUGMSQO-UHFFFAOYSA-N 438.476 4.510 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325452297 SDUZFBGWIHLULS-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325486016 YHIGVNKMRCTIAV-UHFFFAOYSA-N 444.443 4.927 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC 2325559030 QUJLXMNLGVSGGI-UHFFFAOYSA-N 444.698 4.894 30 10 IJEE COCC(=O)Oc1cc(C=CC(=O)c2ccccc2Cl)c(Br)cc1OC 2325717394 FBSXUFIFYQGJLL-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325721205 HXOAFFBEKMXPJQ-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE O=C1CCC(C(=O)Oc2cccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)c2)=NN1 2325754872 RNRMYXPHTVFYOX-UHFFFAOYSA-N 440.455 4.546 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)CC(C)C 2325784096 HYVQPWXBFMUKGR-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(O)c1 2326020257 ZMSYBNYAHMDAHX-UHFFFAOYSA-N 444.944 4.515 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)c1 2328618940 BHWACJNXLTVGGL-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE Oc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 2329918969 DJNHISYMHOYAIN-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)COC)c([N+](=O)[O-])c2)cc1 2330840391 LKLXTTQEDQFTRN-UHFFFAOYSA-N 441.480 4.784 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 2331129443 FTOHCZWPQVAUCY-IBGZPJMESA-N 445.855 4.627 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2331136512 PSEUOSQMSHHBAR-UHFFFAOYSA-N 435.431 4.996 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1OC 2331373183 JBJSUHKAQLSCIQ-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)NCc3ccco3)nnc2C2CCC2)cc1 2331510475 MUELLBXZQMEOMB-UHFFFAOYSA-N 437.569 4.553 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C1CC1 2331832083 BWYVUOANTIBQJI-UHFFFAOYSA-N 445.855 4.867 30 10 IJEE CC1(C)C[C@@](Nc2ccc(Br)cc2C#N)(C(=O)O)[C@@H]1OCc1ccccc1 2374899917 ZKJVAIOSKKFCPK-NQIIRXRSSA-N 429.314 4.571 30 10 IJEE C=CCC(C)(C)CN[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2379259597 YJUDGSIXYXLAQT-CQSZACIVSA-N 425.186 4.765 30 10 IJEE O=C1C=C(N2CCN(C3=CC(=O)C[C@H](c4ccccc4)C3)CC2)C[C@H](c2ccccc2)C1 6241763 JKJSWJYMZUWECD-PSWAGMNNSA-N 426.560 4.665 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 21231116 CHNQODULFIJCBO-QUCCMNQESA-N 434.492 4.696 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)c1 33451104 QHOAWOGVYGAVAB-HSZRJFAPSA-N 428.488 4.649 30 10 IJEE CCCCOc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1OC 33595631 MZKRQYYRZZYHHR-NXCFDTQHSA-N 441.531 4.864 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)cc1 41292377 KNPYGMHCPOVPHM-BKUYFWCQSA-N 432.403 4.756 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3F)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2 41585393 ZXYFFWYAHHDDJL-JLPGSUDCSA-N 444.506 4.778 30 10 IJEE O=C(O)/C=C1\S/C(=N/C2CCCCC2)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 101379724 UERFZPHZPSBKCV-USFSGSQCSA-N 431.945 4.596 30 10 IJEE COc1ccc([C@@H]2/C(=C(O)/C=C\c3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1OC 103117375 JKFDOINLEPFGLP-SBBQJTFCSA-N 441.483 4.886 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccccc2F)cc1 103230255 IAUQXWDJDFJBGH-LAFOYAEKSA-N 438.480 4.696 30 10 IJEE O=C1/C(=C/NCc2ccccc2Cl)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 105286104 QRELPWMUPPUUSI-JCMHNJIXSA-N 438.936 4.504 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)cc1 170006327 FKWQRCGAYMPMNX-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccnc2)c1 170012715 OFOJUALKRMLNRX-QHCPKHFHSA-N 430.479 4.924 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)c1 170080710 DZOKRPMZGJEHQE-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1 170095068 YFKSAIQMZJZZQW-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)ccc1Cl 170132597 WAMKSHWAAGJMPG-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2C)c1 170142811 YCFQTXHCASXEGM-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)c1 170184926 OZDZHERYSNPILX-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170237486 TVAWWWGJSPYSCI-NRFANRHFSA-N 435.476 4.601 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cn(C)c3ccccc23)cc1 170269598 NKJDGEYYBRPOHW-HSZRJFAPSA-N 432.520 4.955 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C)o2)c(OCC)c1 170310840 GXEPMXNANLYEQO-JOCHJYFZSA-N 439.508 4.906 30 10 IJEE COc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170429599 GOTJDGBUYWJJCS-SFHVURJKSA-N 435.398 4.719 30 10 IJEE COCCN1C(=O)/C(=C/c2cc(Br)ccc2OC)SC1=Nc1ccccc1 252642731 ZOZZDQVSQYJXSK-FNUYTPMSSA-N 447.354 4.708 30 10 IJEE CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)Cc1ccc(OC)cc1 429930506 UTZGZDIKYKZCRL-MSOLQXFVSA-N 439.581 4.508 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 460779655 ABCHQJVKCVSJBP-HXUWFJFHSA-N 439.567 4.985 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 460946199 NNRUWIHGGGSXPS-UNMCSNQZSA-N 431.588 4.707 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508750541 ZSLCONDUUPNLTG-UHFFFAOYSA-N 449.505 4.862 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 508905116 YLUWPNIGYSOVPD-UHFFFAOYSA-N 441.988 4.553 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[S@@](=O)C(CC)(CC)C1 508955431 GLQQMWWJGSTRSS-WJOKGBTCSA-N 444.645 4.602 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC 522088961 RCKYNTYKYPTWCI-UHFFFAOYSA-N 437.540 4.598 30 10 IJEE N#CCC1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccccc2)CC1 549149043 AUJSATBMIIZZTQ-UHFFFAOYSA-N 436.357 4.886 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2cccs2)C1 549271400 IAGMLDCTYURNAS-GOSISDBHSA-N 430.961 4.823 30 10 IJEE CCc1cccc(CC)c1NC(=O)Cc1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1 618401596 PPLPGRQBSUJSTD-OAQYLSRUSA-N 429.524 4.589 30 10 IJEE CC(C)(C(=O)NCc1ccc(OCC#N)cc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 778698986 GHTKIBMYISEYEY-VWLOTQADSA-N 444.531 4.544 30 10 IJEE C[C@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(C#N)cc1F 781420705 CNLVSBHRTWTQTJ-AOMKIAJQSA-N 426.536 4.680 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 812185836 DEMIUBOUYNBORV-NZQKXSOJSA-N 445.567 4.663 30 10 IJEE CCN(c1ccc(NC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1)C(C)C 812454574 KVQHDWPZTFROAT-SFHVURJKSA-N 449.580 4.756 30 10 IJEE CCN(CC)c1ccc(C=NNc2nc(S[C@@H](C)c3nnc(C4CCC4)o3)n[nH]2)cc1 1084560712 JSIKKLKUWAWLJY-AWEZNQCLSA-N 440.577 4.601 30 10 IJEE COc1ccccc1-c1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c(O)n1 1127751538 FUQWSWLYWFYYTA-QGZVFWFLSA-N 428.275 4.764 30 10 IJEE C#CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)c2cccc(OC)c2)CCC3)cc1 1127876531 BXGBMAWFHBPNQY-UHFFFAOYSA-N 431.513 4.741 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1128141725 OVLVPTBUIUPSNT-GERBCZOESA-N 448.991 4.974 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1129783812 FIGUHDNZWNAGFX-HSZRJFAPSA-N 449.572 4.988 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]2c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 1130286345 KYOGOMFHCPRCGF-VQTJNVASSA-N 438.984 4.857 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](CCOC)Cc3cccc(Br)c3)cc2n1 1134291234 NKIWECVZDMNCHO-KRWDZBQOSA-N 442.357 4.819 30 10 IJEE C=C(C)COc1cccc(NC(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)c1 1136596878 ZEOFFXVOQUVCIM-UHFFFAOYSA-N 444.572 4.512 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 1136813548 HEGWQHKEQUMRQR-QFBILLFUSA-N 441.597 4.911 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)CN(C(=O)OC(C)(C)C)C1 1137352212 OLJRNNPLZLTHAE-KRWDZBQOSA-N 445.629 4.541 30 10 IJEE C#CCC1(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)CCCCC1 1143709152 DLEMODXTIQEZIW-UHFFFAOYSA-N 425.573 4.567 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1148674576 LNCAWYIILGGVTJ-DLBZAZTESA-N 441.450 4.516 30 10 IJEE C=CC1(CC(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCCCC1 1150579601 VDLYWZJBLAONRR-UHFFFAOYSA-N 430.545 4.769 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1)c1ccccc1 1151314684 OCWCDUUNJLNSLL-HSZRJFAPSA-N 432.545 4.599 30 10 IJEE C=CC1(CC(=O)Nc2cccc3c(Br)ccnc23)CN(C(=O)OC(C)(C)C)C1 1158177690 IASFKPBUSVJJCD-UHFFFAOYSA-N 446.345 4.749 30 10 IJEE C#CCN(c1ccc(C(C)=O)cc1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 1162523256 FYEHNSLSWYAPDL-KRWDZBQOSA-N 429.270 4.523 30 10 IJEE C=C(CSc1nc2ccc(Br)cc2c(=O)n1CCCCC)C(=O)OCC 1164606676 KCHSVVTYXDNNCN-UHFFFAOYSA-N 439.375 4.561 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)cc1F 1182840793 HUBSTKJUBHEBNN-NRFANRHFSA-N 447.363 4.984 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C[S@](C)=O)c2C)cc1OC 1201322704 CMZZEUVVTWAMOB-SANMLTNESA-N 438.387 4.822 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCOC[C@H]3c3ccc(Br)cc3)cc2n1 1209589512 BCJVZQXBRIXQOR-FQEVSTJZSA-N 441.329 4.590 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4ccc(Cl)c(F)c4)C[C@H]3C)cc21 1209774844 RHBDAOPDBJXUFN-OAHLLOKOSA-N 427.911 4.757 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CCCC1(C)C 1214410616 KUKFUHVHJMXVQZ-LJQANCHMSA-N 442.025 4.969 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1214641860 SFCHRGBJHLGWLY-IYBDPMFKSA-N 448.445 4.783 30 10 IJEE CC(C)Cc1ccc([C@H](NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C2CC2)cc1 1221633691 HTNVMKSSSVVRRT-VWLOTQADSA-N 434.559 4.879 30 10 IJEE C[C@@](O)(CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1Cl 1222119431 BMGVNMAPSQBWBQ-JOCHJYFZSA-N 425.941 4.647 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCN(c3cccc(C(F)(F)F)c3)C[C@@H]2CCC)c1 1230087378 URPPQGQNPMMHQI-QFIPXVFZSA-N 429.486 4.887 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)c1ccccc1 1246656673 YJIJFPDLVGRUBJ-XMMPIXPASA-N 435.568 4.537 30 10 IJEE C#CCN(C(=O)c1ccc(-n2cccc2)cc1)[C@@H]1CCOc2ccc(Br)cc21 1265210096 LUGPZYKCBLSSCN-OAQYLSRUSA-N 435.321 4.839 30 10 IJEE C=CCCCCCCCCNC(=O)c1ccc2ncc(I)n2c1 1274720461 DVCQERXTIKTJDF-UHFFFAOYSA-N 425.314 4.585 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)c(OC)c1 1286400507 AYCKAHPBZUKTFR-SFHVURJKSA-N 444.604 4.570 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccoc1 1286459285 KJBINFSBTVNEPW-UHFFFAOYSA-N 426.929 4.541 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(OC(C)C)nc1 1286718193 AMXSZKCADRLJNE-UHFFFAOYSA-N 442.361 4.560 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)c1ccccc1F)C1CC1 1286732611 BMRRAOQNLSTLFY-UHFFFAOYSA-N 440.954 4.814 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CCN1CCCC(C)(C)C1 1286747785 QKMGRDHRXCOSEJ-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(C)cs1 1286798601 JMNDKZSORWIOBE-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN(C)[C@H]2c2cccs2)C1 1286801014 VCESGOFCVQOGQV-NXLVEIQXSA-N 443.661 4.718 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1286823282 LPHYQJYSXGDKBS-GOSISDBHSA-N 425.602 4.630 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286826977 YYWRYESKUPIZDW-GASCZTMLSA-N 437.516 4.500 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 1299074233 SSKQEDWPUIUKSV-IEBWSBKVSA-N 444.963 4.577 30 10 IJEE O=C(N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)[C@@H](O)c1ccccc1C(F)(F)F 1299832345 AFCGETPQSQCWBR-HOTGVXAUSA-N 434.311 4.779 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1300421529 JQJPJGFTDWIUEC-DENIHFKCSA-N 447.410 4.907 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCS1 1300604394 IDFAAZUGBPTHAM-IBGZPJMESA-N 437.382 4.592 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC(CC)(CC)OC 1300608694 CIBQGEQGKBXJSJ-UHFFFAOYSA-N 437.357 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(F)F 1300880700 KCAHOAUQFXTHIV-KKSFZXQISA-N 429.515 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cccnc1OC 1300899263 CMMCQIALZMIKRA-QGZVFWFLSA-N 441.963 4.926 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C(CC)CC)N(C)C 1301270644 JVBCYAYCIAXIBI-LJQANCHMSA-N 434.426 4.696 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1Cc1occc1C 1301338434 XYQNVZMZSZOBII-UHFFFAOYSA-N 429.524 4.799 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1Cc1cccnc1Oc1cccc(F)c1 1301396752 DCIVCAKPHCPOLC-OAQYLSRUSA-N 435.503 4.683 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1301416102 BCBUAPHVMPHRQS-TZIWHRDSSA-N 432.996 4.689 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C)c1cccnc1 1302512077 BCWCRDSXUAUAIJ-XXBNENTESA-N 444.583 4.655 30 10 IJEE COC(=O)c1c(NC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)sc2c1CCC2 1307323636 DEKSLZNPZDRTDY-UHFFFAOYSA-N 440.468 4.645 30 10 IJEE C[C@H](c1ccccc1)N(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 1307665984 GVSQMIQJEJHFCG-QPPBQGQZSA-N 444.604 4.725 30 10 IJEE N#Cc1ccc(-c2cc(N3CCN(Cc4cccc(SC(F)(F)F)c4)CC3)n[nH]2)cc1 1307907360 BITGMXDZSGHYAT-UHFFFAOYSA-N 443.498 4.882 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)ccc1OC 1308373973 FOQKJHXJIYSSJN-GOSISDBHSA-N 434.458 4.564 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(NC(=O)c2ccccc2)cn1 1308391502 VDJMXJZSJGKQBK-UHFFFAOYSA-N 436.309 4.721 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCc2cc(Br)cc(C)c2C1)C(C)C 1311387799 IWSFVZNBLOBBQD-OAQYLSRUSA-N 434.422 4.524 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1CCSC(C)C)[C@@H]1CC[C@H](C)C1 1316075310 BLNOIXARMSPFOO-GHTZIAJQSA-N 427.618 4.600 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)C1 1325220551 LPUZFRIGXYRYOQ-JOCHJYFZSA-N 438.531 4.564 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)C1 1325269103 QJKUSXRKOBWOHD-CJNGLKHVSA-N 436.375 4.620 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC1(Cn2cnnn2)CCCCC1 1355872282 AOYLEMOZICZMFA-UHFFFAOYSA-N 430.512 4.625 30 10 IJEE C=CC[C@@]1(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)CCCN1C(=O)OC(C)(C)C 1358356698 HBPYGNCDWWQREZ-QFIPXVFZSA-N 447.919 4.779 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1nccs1 1359020420 BRTJLLFTGVNVRV-SFHVURJKSA-N 437.613 4.589 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 1359079872 XZHNIDHTTMAGPG-VXGBXAGGSA-N 446.176 4.774 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H](C)OC(C)(C)C1 1359091700 QTBATAJHVPNSMR-MALNDZBISA-N 438.616 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(CC)CC(C)C 1359102547 CKGIVNPUXSJGRK-QPPBQGQZSA-N 426.605 4.937 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCC1CCOCC1)C1CC1 1359248143 BTAMLCLMMCUGNG-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCC1CCC(OC)CC1 1359263238 VQAOQPOSQIFHCY-UHFFFAOYSA-N 440.617 4.528 30 10 IJEE COc1ccc(-c2nc(COC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)no2)cc1 1435092568 IAQCYEYGTBBUDM-UHFFFAOYSA-N 445.406 4.905 30 10 IJEE C=CC[C@]1(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1435175160 JHWBGRYTWPKAAO-FQRUVTKNSA-N 441.616 4.674 30 10 IJEE C=C(C)C[C@@H](NC(=O)Cc1sc(-c2cccs2)nc1-c1ccccc1)C(=O)OC 1438399038 GASPOAOHGPGXBW-MRXNPFEDSA-N 426.563 4.705 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1440879028 GGNBVHJWHQDOEK-UHFFFAOYSA-N 448.516 4.656 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1)c1ccc(Cl)cc1F 1460792882 YTDIMKFMPLGMAB-HTAPYJJXSA-N 426.919 4.665 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1 1465334904 GYAAHTMPQMSHPW-XMMPIXPASA-N 440.547 4.728 30 10 IJEE C=CCCC[C@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccc1 1468642394 VOSSGGFGWIVQLD-DEOSSOPVSA-N 438.591 4.864 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1)c1ccc(Br)cc1 1468849478 RZOYJSPYEWRERZ-WOJBJXKFSA-N 444.348 4.539 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 1470656372 AYTKEZJGAQJSMF-VWPQPMDRSA-N 443.563 4.569 30 10 IJEE C#C[C@H](NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccc(Cl)cc1 1470662369 HBPCJZBATOJPHY-IBGZPJMESA-N 436.861 4.726 30 10 IJEE C=CCCSCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 1470734053 NDYIBWCIXJXSIY-OAQYLSRUSA-N 432.611 4.732 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccccc1OCc1cccc(Br)c1)C(=O)OC 1471893091 GXZYBTSNSQWSQM-LJQANCHMSA-N 446.341 4.656 30 10 IJEE C#C[C@H](Nc1ccc(Br)c(C(=O)OCC)n1)c1ccc(Br)cc1 1472794296 FYLGYVIIRUZVHM-AWEZNQCLSA-N 438.119 4.570 30 10 IJEE C#CCN(Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1CCOc2ccc(Br)cc21 1473168074 MRVPWPFHPHHJNQ-GOSISDBHSA-N 445.313 4.715 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cc(F)ccc3[C@H]2C)n(Cc2ccccc2)c1C 1473770539 ALAQGUBEZVFUBH-LJQANCHMSA-N 430.527 4.722 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(C(F)(F)F)cc1 1478273155 STNVFJMZBWBQJO-UXHICEINSA-N 437.506 4.946 30 10 IJEE Cc1nn(Cc2ccccc2)c(C)c1Cn1c(N2CCC(CC#N)CC2)nnc1C(C)(C)C 1492730912 GWTDKTNTSRTBAJ-UHFFFAOYSA-N 445.615 4.616 30 10 IJEE CCCCn1cc(Cn2c(C(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)c(C)n1 1500516028 GRSVTWMGERHJDK-UHFFFAOYSA-N 443.599 4.920 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](OC)C(C)(C)C 1507519980 WBQOBNUABATLGO-FDDCHVKYSA-N 433.600 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCn1nc(C)cc1C 1507544619 YZILWFNJJCXDFC-OAQYLSRUSA-N 448.615 4.650 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCC1(COC)CCCC1 1507663112 SXRGBBUVSXCUCD-UHFFFAOYSA-N 430.552 4.751 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(C)c1 1507706584 ODOWQBRHJBJHQV-FQEVSTJZSA-N 448.636 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CCC(C)C)C1CC1 1507807568 VZPOWRHLXKANLC-AVRDEDQJSA-N 429.634 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CC(=O)N(C)C1CCCCC1 1507819578 RVIPLHNUKIOPFE-UHFFFAOYSA-N 429.996 4.792 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2C1 1507838273 OPBAUBXXMJIITC-UHFFFAOYSA-N 445.386 4.882 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2c(F)cccc2F)CC1 1507890850 UHIGFRIWVQOPON-WIYYLYMNSA-N 430.543 4.874 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CCC(C)CC1 1507962385 RFRNZYDPOYKSIE-UHFFFAOYSA-N 434.588 4.738 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC1(C)C 1508038088 QDUYWAQYLOZUNG-QGZVFWFLSA-N 433.394 4.701 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCCOCc1ccccc1 1508048268 XNXNGAMRDXLMEG-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCC(C)C)CC1 1519744253 IFLYKFMLYHHUCB-SFHVURJKSA-N 427.618 4.600 30 10 IJEE Cc1ccc(Br)c2c1N(C(=O)c1cc(C)n(-c3cccc(C#N)c3)n1)CCC2 1520180407 FVQCJHLFQBAYAE-UHFFFAOYSA-N 435.325 4.716 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC 1521555493 DEXUAUQYGSAJQJ-UHFFFAOYSA-N 446.547 4.700 30 10 IJEE C=CCN(CCOC)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1524883732 ZVDJBJDKPMSEFD-UHFFFAOYSA-N 425.326 4.939 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1ccc(Cl)cc1F 1525069946 KBUGEHKWOWBVFA-NRFANRHFSA-N 436.849 4.699 30 10 IJEE Cc1nc(-c2c(C)noc2C)sc1C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 1529014249 DJKKXGVVDWMSEV-UHFFFAOYSA-N 429.505 4.837 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1C1CCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531952000 DNCCXLCTXLYTER-RBUKOAKNSA-N 430.595 4.559 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C)c3cc(Br)ccc32)cc1OC 1532271301 PDMZSGQNUCEIFV-UXBLZVDNSA-N 443.341 4.519 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1 1535267529 UTTBJVMYNBIGEH-OAQYLSRUSA-N 428.598 4.520 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1535504792 MGAJGMHQFPCTLH-OAQYLSRUSA-N 444.934 4.993 30 10 IJEE C=CC1(CC(=O)N2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)CCCCC1 1537743240 AZFFUTVJQJGDKE-VXKWHMMOSA-N 445.648 4.588 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2coc(/C=C\C(=O)OC(C)(C)C)c2)cc1 1537825340 JGOJBLRRGPTKSR-SEYXRHQNSA-N 425.481 4.896 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1N(C)CCCC1(C)C 1538972141 JJOGGXDNSKXWDZ-XKCSPQBFSA-N 437.632 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCC1(F)F 1538984372 HHGFZKMWRFMCFX-HOCLYGCPSA-N 437.332 4.991 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCc1sc(C)nc1C 1539546376 JADCIHFECBKJML-JOCHJYFZSA-N 425.989 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539632931 VTNQAVIIMTYABR-USZFVNFHSA-N 447.627 4.789 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 1539694576 CVDMJYWZVMGQCM-MRXNPFEDSA-N 444.967 4.928 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1539695033 VZSQJYGCJUYRTH-UHFFFAOYSA-N 434.853 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1539913125 ZPQZIARLNVRPAN-SFHVURJKSA-N 439.633 4.738 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1539940872 WDLYPURVKRGEFZ-QFIPXVFZSA-N 432.616 4.564 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1539959610 MIFVWSQETXTSMB-UHFFFAOYSA-N 435.616 4.981 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1539963150 LXOCBZWOGJVEKV-QFIPXVFZSA-N 442.579 4.589 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccco1 1539966893 NDNRGSVAPHKHJT-UHFFFAOYSA-N 443.592 4.978 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N(C)C2Cc3ccccc3C2)nnc1C(C)(C)C)C(C)C 1540151394 HIQQLPMFYNOMOY-XMMPIXPASA-N 435.660 4.878 30 10 IJEE CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1544401060 ICNIZVKRFJYDIY-LOSJGSFVSA-N 432.564 4.735 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(OC)CCC2)CCS1 1546114770 GEEORYUQHPFPFF-UHFFFAOYSA-N 439.629 4.888 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1CC1(C2CC2)CCC1 1555545008 ASBQLQFVXILNKJ-UHFFFAOYSA-N 435.616 4.972 30 10 IJEE C=CCC1(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)CCCCC1 1556622494 YWDGRSTXBSMAAB-UHFFFAOYSA-N 430.545 4.944 30 10 IJEE C=CCn1c(SCc2noc(C(C)(C)C)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1559307920 UFTMOPSAYPNFMD-GFCCVEGCSA-N 430.599 4.742 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nccn1-c1ccc(N(C)C)cc1 1559395157 JJOIRFSDPJMQIF-QGZVFWFLSA-N 426.611 4.695 30 10 IJEE C#CCN(Cc1cccc(OC(C)(C)C)n1)[C@@H]1CCOc2ccc(Br)cc21 1559544841 IULUGCBDQFPDSU-LJQANCHMSA-N 429.358 4.980 30 10 IJEE COc1cc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 1559907230 CKPPMJMPNIEQFQ-QFIPXVFZSA-N 441.575 4.852 30 10 IJEE C#CCN(Cc1cc(-c2ccccc2Cl)on1)C1CCN(C(=O)OC(C)(C)C)CC1 1560143130 RIZYLZZEJWKLJM-UHFFFAOYSA-N 429.948 4.830 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC(O)(CCC)CCC 1587586866 UUARSUDPUPLVRY-CQSZACIVSA-N 439.423 4.558 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 1587661402 OVSFARSBFFXXNJ-FUHWJXTLSA-N 443.371 4.746 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 1587944704 RWSFDZMGXJTIDT-PKOBYXMFSA-N 432.486 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)C[C@H](C)C1 1589567553 FBCMFEWJOUGNCV-JBAWTIAASA-N 438.616 4.937 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 1593717370 FNOYRBYOKAUBKL-HXUWFJFHSA-N 442.604 4.960 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1594218538 JJNAQIXMIZVQSW-JOCHJYFZSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 1594527766 BBLKHSBXXBLUQT-UHFFFAOYSA-N 429.584 4.519 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1cc(C)oc1C 1594857810 QOHWPHAXMQHREP-CPJSRVTESA-N 438.572 4.775 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCN(CCC(C)C)CC1 1594937179 TXPFNGPECXYNNP-UHFFFAOYSA-N 447.631 4.511 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1594942647 CJCKUONXRBLHMJ-QHCPKHFHSA-N 430.600 4.573 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC1(c2ccccc2C)CCOCC1 1595212325 OERBABSAFLMKMK-QHCPKHFHSA-N 436.600 4.755 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=C)Br)C1 1595753920 KQKDTLQFSHNUIG-KRWDZBQOSA-N 449.418 4.569 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccc(Cl)cc1F 1597002295 ILPAFPZCPOHPSC-PMACEKPBSA-N 430.907 4.611 30 10 IJEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1607686204 AUVAYAIRGQOTOE-QUCCMNQESA-N 429.515 4.503 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 1622954872 XSVYUUCAXBCFGK-UTKZUKDTSA-N 445.357 4.991 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)c1 1623382269 LPOYLKFQAJQILV-QFIPXVFZSA-N 429.969 4.798 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 1626713739 MOIFOPQLGFGYGK-UHFFFAOYSA-N 443.938 4.685 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 1628262903 CBYRNPJNVHVROE-LJQANCHMSA-N 431.964 4.689 30 10 IJEE COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 1631744226 GZLVNSHAZMSDHJ-MGPUTAFESA-N 427.342 4.872 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2CCN(CC3CC3)CC2)cc1 1637293306 CRVNIGMVYJRDCA-UHFFFAOYSA-N 434.559 4.531 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccccc3NCCc3ccccc3)C2)c(F)c1 1638308052 DRADXRLGZGESGY-OAQYLSRUSA-N 428.511 4.817 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cn(-c2ccc(Br)cc2)nc1C)c1ccccc1 1640208731 ULJHYOYFLDVWKY-HHHXNRCGSA-N 444.354 4.797 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1640964290 SGBZRHYOZWICQN-ZWKOTPCHSA-N 444.601 4.829 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(C#N)cc1Br)C1CCCCC1 1642424801 GXYCYMSFFTUKCG-LJQANCHMSA-N 436.394 4.884 30 10 IJEE N#Cc1ccccc1SCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1643709847 HBAPVEBTJXKVDH-UHFFFAOYSA-N 427.573 4.584 30 10 IJEE C=CCn1c(SC[C@H]2CCN(C)C2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1651573150 CUIVFRGBLFGATH-NVXWUHKLSA-N 444.670 4.914 30 10 IJEE Cc1cc(CNC(=O)C(F)(F)F)cc(Nc2cc(Br)c(C#N)cc2F)c1 1651847759 BTWRQMUHLGJEQA-UHFFFAOYSA-N 430.199 4.690 30 10 IJEE C=C[C@H](C(=O)N[C@@H](C(=O)OCC)c1ccc(Br)c(Cl)c1)c1ccccc1 1652418673 LBPSLEDFUCNUNM-MAUKXSAKSA-N 436.733 4.793 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2OCc2ccccc2)c1 1652673055 YKBHNAMWCOJQRO-UHFFFAOYSA-N 433.529 4.623 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NCC(F)(C(F)(F)F)C(F)(F)F 1654740496 KXCKYPCHZLOQEE-SOFGYWHQSA-N 427.238 4.938 30 10 IJEE C#CCOc1cccc(Cl)c1CN(CCNC(=O)OC(C)(C)C)CCc1ccccc1 1659776753 CQTUYCSMBVYKBR-UHFFFAOYSA-N 442.987 4.921 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 1661289042 AEZRGQYZQXFFIT-INIZCTEOSA-N 428.554 4.864 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)c1 1661907557 AMOFTBXQYSBSSM-UHFFFAOYSA-N 447.965 4.796 30 10 IJEE C=CCN(C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)[C@H](C)COC 1669105874 STDWPKMLBNGZOT-GOSISDBHSA-N 435.524 4.760 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CCOc1ccc(OC)cc1 1672708406 LCERTRFWTGTXEJ-UHFFFAOYSA-N 435.318 4.565 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1CC1(O)CCCCC1)c1ccc(Br)cc1 1674030293 CLGUXZSLECLJFL-WOJBJXKFSA-N 433.390 4.773 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)c1ccccc1 1675610596 PNEXMNPOQAMFBW-QFIPXVFZSA-N 425.960 4.791 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(Br)cc1 1676962402 BROVNVZZYLRSSV-GHTZIAJQSA-N 443.341 4.591 30 10 IJEE C=CCC[C@H](NC(=O)NCCCNC(=O)c1occc1C)c1ccc(C(F)(F)F)cc1 1679304701 IVTWVBMFVIGKDQ-SFHVURJKSA-N 437.462 4.733 30 10 IJEE CC[C@@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccc(C)c(F)c1 1679627494 DCCXYEDPJFJQFL-JOCHJYFZSA-N 431.515 4.537 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(C)cc1OCC(F)(F)F)c1ccc(Cl)cc1F 1680342662 LIFJMYOBVYQHNH-QGZVFWFLSA-N 428.813 4.902 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CCCCOC)c1ccccc1)c1ccc(Br)cc1 1682303755 UAWSDPGTUPSUHJ-SFTDATJTSA-N 429.358 4.981 30 10 IJEE C#C[C@@H](NC(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1)c1ccc(Cl)cc1F 1682366777 ILXDSIZXDLKUOC-NZQKXSOJSA-N 428.935 4.895 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC(C)C)CC1 1689848953 DPAHZOLOYUZCSB-WOJBJXKFSA-N 443.636 4.677 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N(C)Cc1cc(C)cs1 1690231590 HWXHMPFWPUWZTQ-UHFFFAOYSA-N 431.403 4.978 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1690284612 MFGUVNDBCVRCDD-UHFFFAOYSA-N 435.547 4.914 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCCCCO 1690331427 WMEULMAUBGRXKP-UHFFFAOYSA-N 431.993 4.728 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC(N2CCCC2=O)CC1)c1ccccc1 1690442251 PGMBKJJVAFHVHR-IFMALSPDSA-N 435.616 4.743 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(N(CC)CC)CC1)c1ccccc1 1690442672 YKAMSWKFHNLWRR-QHCPKHFHSA-N 446.643 4.954 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C)(COC)CC1 1690736808 PMJUIVYPKQBVTQ-UHFFFAOYSA-N 426.586 4.863 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CC(C)C)C2)ccn1 1698371973 CPKITQSBARJUCH-FQEVSTJZSA-N 432.597 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cccc(C(F)(F)F)n1 1705482679 DYAWYTIQZDTURL-AWEZNQCLSA-N 425.414 4.611 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](OC)C(C)C 1705484684 UEOZSEVGUVFWNS-VQIMIIECSA-N 426.561 4.942 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccsc1Br 1705489020 IVTLAGWJTMCLMV-ZDUSSCGKSA-N 440.370 4.757 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1705519375 IPVQLJIUEJEXFL-NZQKXSOJSA-N 434.609 4.895 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1c(F)cccc1SC 1705675867 DJNVCQASTNQWFL-JOCHJYFZSA-N 426.586 4.832 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1705760578 MSDVTXKEXIDZSZ-FQEVSTJZSA-N 443.350 4.500 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(F)cc1F 1705807453 DGBRAJJUVLBKAG-UHFFFAOYSA-N 436.510 4.788 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCN1CCCC[C@@H]1CC 1705839900 SDHHDCGXFRLACM-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1c(CC)nn(C)c1OC 1705866242 KZCAJCGAPRBLJH-UHFFFAOYSA-N 440.617 4.543 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705875840 HSMBWIGRZOIEDX-SLFFLAALSA-N 443.636 4.548 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCCC2(F)F)C1 1705918249 FXVXDTIKGGTWHE-ROUUACIJSA-N 432.515 4.561 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)SC)C1 1705928585 RUSWRRFIGOBHMX-NVXWUHKLSA-N 439.050 4.757 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCCS1 1706921529 BOHSOHCAWLYFDB-MJGOQNOKSA-N 443.592 4.973 30 10 IJEE CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(CC)CCC2)cc1OC 1709855071 HWGQVQMTVAYQEE-XMMPIXPASA-N 441.551 4.765 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1CC 1722314057 HIXMDXDJADUJKK-DENIHFKCSA-N 446.599 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CCC)CCC 1722494818 SICUMDJSKXYICU-IRLDBZIGSA-N 439.604 4.755 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N(C)Cc1ccc(Br)s1 1722527214 BUMKHKPMVDLXKE-CQSZACIVSA-N 427.412 4.845 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(C)C)CC1)C1CC1 1722653588 IYYRRZUEMXSFKB-IBGZPJMESA-N 429.609 4.941 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCN(CCC)CC1 1722669480 SZWSXUXGZQYPEX-UHFFFAOYSA-N 432.616 4.737 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1722674105 DZUBEGKRFSNSBJ-AZGAKELHSA-N 443.595 4.919 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1cnc(C)s1 1722675673 QYJNFYGQYJUZOY-UHFFFAOYSA-N 435.622 4.979 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)c(COC)c1 1722692670 UCBIIUNPDDXXMK-IFMALSPDSA-N 442.579 4.709 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1 1722734561 HMMMZRDGEXCXSX-UHFFFAOYSA-N 425.371 4.612 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS[C@H](C)C1 1722735557 RBHGZZCPUGCCMI-HZPDHXFCSA-N 434.700 4.992 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)C1 1723548325 AZINOGMHYKHAMF-JTHBVZDNSA-N 434.632 4.810 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(C)C)CC2)cc1C 1724389566 CZZWUZBUSKEDBQ-DEOSSOPVSA-N 434.588 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1CCC 1740535689 TZSIJCBGDNRWMM-QKNQBKEWSA-N 444.023 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1cccnc1)C(C)C 1740536241 BNWVYDFNIIEMHA-LAUBAEHRSA-N 439.510 4.839 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1c(C)noc1C 1740540005 XEHANNBYMXPMCQ-ZIAGYGMSSA-N 442.361 4.574 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](CC(C)C)C1 1740568140 SUFPDZJZPPVGRZ-QGZVFWFLSA-N 432.410 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1Cc1cc(C)no1 1740735414 PAOVKFKFBVDEHI-OAQYLSRUSA-N 427.961 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](C)c1nccs1 1740754414 SGOOEMAKADZUQI-SUMDDJOVSA-N 427.574 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CC)C1 1740766557 IUFURIRCVMAZJP-MSYCTHLASA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740779227 VZFRFDAJRVTDRP-OALUTQOASA-N 444.023 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1740819284 KWPZEHWVSNZCRO-IBGZPJMESA-N 449.441 4.559 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2oc(CC)nc2C)CC1 1740832375 CXNHVJBJZVRLIY-KRWDZBQOSA-N 439.535 4.867 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1740857477 NZRHVKJZSXUHEO-FPOVZHCZSA-N 430.556 4.664 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1740873588 CKRQVFHDIUARDH-DLBZAZTESA-N 438.498 4.543 30 10 IJEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1740947143 SDBSGUZFILIWKH-HXUWFJFHSA-N 439.560 4.615 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN(C)C2CCCCC2)cc1 1744335802 CWXWEWURJCOTFI-VWLOTQADSA-N 438.595 4.604 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1748740128 LRDJBUMXLZKPSI-LJQANCHMSA-N 440.588 4.550 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCC(C)(C)COC 1748770773 FPTYRPHHOIFPAU-UHFFFAOYSA-N 437.613 4.899 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1C 1749218306 KZYAXUFHWSNJHX-UHFFFAOYSA-N 449.386 4.523 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1749382336 LXMIRDMGWLTODQ-HXUWFJFHSA-N 433.522 4.590 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CCC)C1)c1ccccc1 1749384623 FBQVOKDWPBMECP-RPWUZVMVSA-N 448.615 4.505 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@](C)(OC)C1CC1 1749473317 FBPIFTDXSOLNDC-LJQANCHMSA-N 439.785 4.798 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(CC)C1 1749549081 PQPXALSAMCIBHW-IBGZPJMESA-N 437.613 4.550 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1OCCC1(C)C 1749592321 HOIHBBIVRZHFBY-NRFANRHFSA-N 444.645 4.729 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1749744751 PHEOTXPFJMATAV-FQEVSTJZSA-N 435.037 4.924 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1ccc2ncccc2c1 1750791839 AFYPZSVYYRFPNF-UHFFFAOYSA-N 425.540 4.703 30 10 IJEE Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)cc1 1751514036 BMFUIZUZMOUCJD-UHFFFAOYSA-N 439.361 4.523 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760097333 CYVWZCWWSZCULQ-AJGMTHFWSA-N 441.595 4.526 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1760150507 PFGKXVRKTZRKKS-RTBURBONSA-N 442.629 4.876 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@H](F)C1 1760224008 ULJPLJOLHJFBFU-UNMCSNQZSA-N 436.575 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(Cl)nc1 1760228912 WRDYTQFEGFPWRA-UHFFFAOYSA-N 425.989 4.832 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2ccoc2)nnc1C1(c2ccccc2)CCC1 1760314951 WQZLCLUKBQREPK-UHFFFAOYSA-N 427.346 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCCCC1 1760319540 OKIGEICQHIAKTP-XXBNENTESA-N 440.588 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@](C)(OC)CC1 1760319801 UQVHSSCVCIWFPH-FXSPECFOSA-N 438.616 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCC[C@@H](C)C1 1760339515 LBQGTYAMEJKCQM-YADHBBJMSA-N 434.632 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CCCS1 1760340370 WKRQPMAXVMSKIC-IXFSTUDKSA-N 449.665 4.737 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760342345 HOALCFCRFSPFJE-UHFFFAOYSA-N 440.960 4.911 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2ncccc2F)CC1 1760343768 RZMVFBUYZHEBLP-UHFFFAOYSA-N 447.345 4.689 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC(C)(C)[C@@H]1C 1760351185 BMCIYZJDOKOENJ-SFHVURJKSA-N 444.645 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760416045 SLHVAIUUZMINGH-UWJYYQICSA-N 428.552 4.602 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1CSC)c1ccccc1 1760419878 DYBZHSFSUQMPMI-XZOQPEGZSA-N 433.625 4.956 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1ccc2ccccc21 1760454275 COMHULMFOVZWIF-UHFFFAOYSA-N 439.361 4.703 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760507815 IAYKXXUHUOSIAS-GFCCVEGCSA-N 434.293 4.511 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H](C)N(C)Cc2ccccc2)o1 1761754028 HAHCPTGHEGWWQE-RXFWQSSRSA-N 446.599 4.887 30 10 IJEE Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnc(C)s2)n1 1761967656 DCOVDCHQWPVVRA-UHFFFAOYSA-N 443.580 4.554 30 10 IJEE CCOc1ccc(N=Nc2c(C)c(C#N)c(=O)n(CCc3ccc(OC)cc3)c2O)cc1 1772741289 DRKDWHNEXRUZIZ-UHFFFAOYSA-N 432.480 4.799 30 10 IJEE CCN1CCc2nc3c(C)cccc3c(C(=O)Nc3sc4c(c3C#N)CCCC4)c2C1 1859648646 MPCYTCKCUSJLEH-UHFFFAOYSA-N 430.577 4.986 30 10 IJEE N#Cc1c(O)nc(SCC(=O)Nc2ccc(F)c(Cl)c2)nc1-c1ccccc1Cl 1860826456 CUGZCMPDTPPVRT-UHFFFAOYSA-N 449.294 4.898 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(O)c1 1862457539 RJPDKXHDNNQERA-NWXLUKJOSA-N 445.437 4.967 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1Cl 1862499144 ZIJNBPHIWDLWKI-IBGZPJMESA-N 434.319 4.835 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1862562905 QMMYNQGQCLYILG-LJQANCHMSA-N 430.426 4.809 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1862655024 XNHCXVSVRCJIDU-JOCHJYFZSA-N 430.460 4.982 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC(C)C)ccc1OC(C)C 1862682868 DVERLNQWIVCLBD-JOCHJYFZSA-N 441.499 4.856 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862688534 YTWKVOPQYOJNKW-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862746480 GKPSVXXWCBEBOR-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863129217 CQFYCNHZJMJEIG-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1863173206 GUMVRTBODAPGBX-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2)=C(c2ccc(OCC)cc2)C1=O 1863212239 BNTKSGLBYUPZBY-UHFFFAOYSA-N 441.325 4.534 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOc2ccccc2)=C(c2cccs2)C1=O 1863805059 OYTOOKNBNAZMGF-UHFFFAOYSA-N 426.582 4.857 30 10 IJEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868238970 YZKLYYMDSGNLID-NRFANRHFSA-N 432.572 4.633 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)Cc2ccc(Cl)cc2)cc1 1870147593 XTAQKMDTTUBSEK-UHFFFAOYSA-N 437.931 4.933 30 10 IJEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CSc1ccc(Cl)cc1 1870279995 XZHLHWYYSITULK-UHFFFAOYSA-N 447.000 4.761 30 10 IJEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870813570 QMKIJDPVCSAORI-UHFFFAOYSA-N 447.579 4.928 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871216424 UVHXJPPSWODKPY-UHFFFAOYSA-N 444.535 4.679 30 10 IJEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCCN1CCCC1)C3 1871348306 DBBZJIWYPGHXFY-JLPGSUDCSA-N 448.563 4.648 30 10 IJEE CCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871350631 NIWYQCOZNWPBBP-QRVIBDJDSA-N 432.520 4.681 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871792036 LKOCUXGEUBRKPX-GOSISDBHSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cccs1 1872028910 SQAYXNOODXQENO-IBGZPJMESA-N 436.599 4.521 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)C(C)C)S(=O)(=O)C1CC1 1872278753 POBPCCADKUAZMH-DEOSSOPVSA-N 440.609 4.611 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2c(C)cc(C)cc2C)C1=O 1873120913 KICKEOXDXULSBE-UHFFFAOYSA-N 441.660 4.984 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc2n1CCCC 1873581035 UQIZUDRLBAYSTG-BGYRXZFFSA-N 443.636 4.935 30 10 IJEE CCCCCCCCCOc1ccc(/C=N/N=c2ccc3nnc(C)n3[nH]2)cc1OCC 1873792956 VROLHHRQSBWKHX-XIEYBQDHSA-N 438.576 4.829 30 10 IJEE CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874247986 HKKCWPFQLWUUAS-LPYMAVHISA-N 445.932 4.764 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874390078 TZUVIKNEYXMCMA-FOKLQQMPSA-N 449.363 4.631 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874399848 DHYAYHAYXUEMDD-SCELWYEFSA-N 436.581 4.875 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccco1 1874406188 DBOJLRVMOLVMSB-BUVRLJJBSA-N 437.569 4.915 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 1874445439 FDGUUHFZPAALIJ-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2F)o1 1874454720 MTFQPEXCWQDLOA-FSJBWODESA-N 428.489 4.629 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccco2)cc1 1874465439 JPTAYKXKUGJMAN-AFUMVMLFSA-N 449.511 4.853 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874532316 YBBSDSXCFROXGC-OPEKNORGSA-N 447.486 4.835 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1cccc(C)c1 1874595166 XMZYVYFQYQPEIP-WUXMJOGZSA-N 446.459 4.825 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)N[C@H](C)c1ccccc1 1874614110 FLGFOTXNEJTIGI-JUWJPQTCSA-N 445.515 4.856 30 10 IJEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] 1874698396 UORSGPNTTXIVQD-WUXMJOGZSA-N 432.388 4.927 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1cnccn1 1875131310 QSQXNNBUKWXBRO-KPKJPENVSA-N 444.487 4.728 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)(C#N)C1 1985178912 MKISWEDYLCACPM-GLVDIQESSA-N 445.563 4.748 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H](C)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 1993734468 DODQKEURHZFVAL-QRVBRYPASA-N 425.614 4.519 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 2045248347 ICPKYNCQAWWOQB-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2ccc(Br)cc2Cl)C1 2063051564 DEHHNUYGGFCGAT-MRXNPFEDSA-N 430.770 4.867 30 10 IJEE Cc1ccc(-n2nc(C#N)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079184145 MCEJYZVOUASBFI-UHFFFAOYSA-N 445.104 4.695 30 10 IJEE CCOc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1 2080118335 RPCNPOIZALRISC-OAHLLOKOSA-N 443.235 4.695 30 10 IJEE Cc1ccc(F)c(-c2cc(=O)n3nc(C4CCCCC4)c(C#N)c3[nH]2)c1Br 2080985980 WILLRIQVVBAVDC-UHFFFAOYSA-N 429.293 4.819 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 2102883145 VWGNSRBVSHRCDN-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CN(CCCCCCNC(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2118151968 WQKDFXBFGUEDHL-UHFFFAOYSA-N 428.346 4.981 30 10 IJEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(c2ccc(C#N)c(Br)c2F)C1 2118200351 DOKAVHFNBHHZOJ-JSGCOSHPSA-N 426.330 4.589 30 10 IJEE NN[C@@H](CC#CC1CCCCC1)c1ccc(I)c(Br)c1 2149856715 ATTBUTQPBIQNJE-INIZCTEOSA-N 447.158 4.532 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3Nc1ccc(C#N)c(Br)c1F 2169552940 UNPZNLDEYMPDIW-YOCBEXAOSA-N 436.325 4.516 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(C#N)c(Br)c1F 2174763054 IPXXXWCMUHPVEU-INIZCTEOSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCN(c2ccc(C#N)c(Br)c2F)C1 2174815262 RJRPMKPWYYYVFZ-GJZGRUSLSA-N 438.341 4.686 30 10 IJEE C[C@@H](CCC[C@@H](C)C(=O)Nc1cc(Br)ccc1C#N)NC(=O)OC(C)(C)C 2181046335 KIFVHRBZPRQMCV-KGLIPLIRSA-N 438.366 4.979 30 10 IJEE CCC1(C#N)CCN(C(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CC1 2182942231 GSXPQGOAIVKDJU-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2185907124 JLTZJPIGYYGGNT-GOSISDBHSA-N 434.378 4.542 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2214836327 JLJKNVMZPGUTQA-CKJXQJPGSA-N 436.557 4.852 30 10 IJEE C=C(I)COc1c(C)cc(Br)cc1CN[C@H](C)CC 2231585578 BPWOZFJEWRCCGB-GFCCVEGCSA-N 438.147 4.973 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccccc2Br)CC2(CCCC2)C1 2235719470 GBSPJZKTDOQPSX-UHFFFAOYSA-N 432.358 4.987 30 10 IJEE CCN[C@@H](CC#CC1CC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237399120 QBDBXGLHBAIXMH-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)cc21 2255647875 FLNXZKNVSYXKQR-UHFFFAOYSA-N 428.338 4.549 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256025327 HMSWZXAUZHMZKK-UHFFFAOYSA-N 426.322 4.707 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267572840 ASVQQHCAXQAUPU-IXDOHACOSA-N 442.365 4.646 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C 2296275428 ZDSQGRHEUDBSAZ-DBVUQKKJSA-N 435.406 4.957 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296292821 CKHVGMRMWMXSKX-OALUTQOASA-N 435.406 4.718 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 2296293374 IZIWZJWCIVSABA-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296303478 WTMFWVYESOVAJK-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE COc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 2297459514 QSGAXGVGIZOIFV-VWLOTQADSA-N 441.483 4.886 30 10 IJEE O=C(Nc1cc(Br)c(Br)c(Br)c1)C1CC(S)C1 2300156835 WZOZXKMYXMQHHV-UHFFFAOYSA-N 443.986 4.621 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2305401651 YNWYKXFYKXEIPG-DCEDVJGZSA-N 428.573 4.555 30 10 IJEE CCCN1C(=O)C(=Cc2cccc(O[C@H](CC)C(=O)O)c2)SC1=Nc1nc(C)cs1 2314931018 KWTQYVMXDGUTBN-MRXNPFEDSA-N 445.566 4.708 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccccc1C(=O)O 2318571679 PTVNBBAYJZJZEQ-UHFFFAOYSA-N 432.908 4.896 30 10 IJEE CN(C)CCCCN1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322119829 KHZPKMACXUCNLE-UHFFFAOYSA-N 430.907 4.589 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OCC(C)C)c(OC)c1 2322904342 GFWNQXRCTZLDBO-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(F)cc1F 2326750119 BIQADKONZQVGCH-UHFFFAOYSA-N 444.507 4.715 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1c(Cl)cccc1Cl 2327849709 QZAHAULFFAGLAM-GFCCVEGCSA-N 440.400 4.694 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccnc1 2328240144 RJGMYCRAKGOFNR-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE CCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SC)cc1OCC 2329791858 JVKVDGKDVWLSBT-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1N=Cc1cccc(F)c1)Nc1ccccc1 2330454532 QQGJTCBTCPYHGP-UHFFFAOYSA-N 445.523 4.621 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(F)cc1)c1ccccc1 2331229905 GFSHTVTWLWYYTD-INIZCTEOSA-N 449.511 4.529 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339602020 FDHBVOLDDPPSKC-WGSAOQKQSA-N 444.381 4.798 30 10 IJEE CC1(C)OB(c2cc(Nc3ccc(Cl)cc3Br)ncc2F)OC1(C)C 2345741340 OOGUXMYMTWAMEO-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)C#Cc3cccc(Br)c3)C[C@@H]21 2360196771 XGLCEBXUODZXSB-MSQSPTIYSA-N 430.342 4.548 30 10 IJEE COc1cc(Br)ccc1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364864624 GQYXPVYOGKBQIJ-UHFFFAOYSA-N 439.546 4.549 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)C2 2370319687 HZXFCAAXMLCGFX-QIJUGHKUSA-N 433.390 4.616 30 10 IJEE CN(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)CCC3)=C(/S)Nc2ccc(F)cc2)cc1 10829838 HFKKGLNZJSLTTQ-UHFFFAOYSA-O 434.560 4.719 30 10 IJEE CCc1ccccc1NC(=S)/N=C(/NCCc1ccccc1)Nc1nc(C)cc(C)n1 14156998 CHKJAMLAQPAZDB-UHFFFAOYSA-N 432.597 4.653 30 10 IJEE C=CCn1c(CCc2ccc(I)cc2)nnc1S[C@@H](C)CC 20830881 YZGOLRAGCAGEIM-ZDUSSCGKSA-N 427.355 4.745 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Br)cc2)cc1 21259815 KSNCSJZSLPDWJA-LPHOPBHVSA-N 440.337 4.852 30 10 IJEE Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 21356320 VARLLHRRKSTZBN-DEOSSOPVSA-N 434.517 4.957 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)o1 23426427 DVJCYEZYRPKUDI-CQSZACIVSA-N 442.928 4.826 30 10 IJEE O=C1/C(=C/c2ccncc2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 33531300 CEVFQBPBHPKWLK-UQQQWYQISA-N 426.516 4.858 30 10 IJEE Cc1nnc(/N=C2/S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2C2CCCCC2)s1 39866560 DUIWMTUHVAZBBJ-VJGKAAADSA-N 427.599 4.849 30 10 IJEE O=C(C[C@H]1S/C(=N/c2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccccc1 101573941 KVCGORYRTLNUDZ-RTGZZVAKSA-N 433.508 4.986 30 10 IJEE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)c(C#N)c2nc3ccccc3n2c1O 104703067 LTNQHUHSVIYYNZ-WQRHYEAKSA-N 441.878 4.833 30 10 IJEE CCOc1ccccc1-c1nnc(S)n1/N=C\c1cc(Cl)c(OCC)c(OC)c1 169912297 ZEOKPERCUFCBAE-UUYOSTAYSA-N 432.933 4.575 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccncc2)cc1 170020080 BGRRRRLYHCCKAK-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc2ccccc12 170045804 CTXPJGVJMQDEOL-DEOSSOPVSA-N 440.499 4.936 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccc(O)c1 170080914 RGOWNPFCWDSZGW-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)c1 170090240 HCSTZLVTIWSCLS-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2Cc2ccco2)c1 170118892 PNNFDELOTNLDFF-JOCHJYFZSA-N 447.487 4.692 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140675 HDRRJANZXUEVTO-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)ccc1Cl 170144134 TVHITAXOSZIODD-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1cccs1 170166102 JPBVKCMPYNZKQA-LJQANCHMSA-N 449.956 4.804 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)cc1 170183204 JFRJVSGKLKUZCQ-NRFANRHFSA-N 434.517 4.709 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170193022 VXYDQRZFBOGGRW-HXUWFJFHSA-N 434.835 4.853 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccncc2)cc1 170201588 LXOHLYOLMPEESK-HSZRJFAPSA-N 444.487 4.605 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(F)cc1 170243063 PBHJDYWCDLBQLL-JOCHJYFZSA-N 438.543 4.572 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(Cl)c1 170246531 CJJAFLVXGNYOIJ-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1cccc(O)c1 170262890 DDVKORQMSUDNAX-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(C)o2)cc1C 170304251 NKYAGGFODKQNMG-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)c(O)c1 170321983 MOWVKJJZDOLWKL-JOCHJYFZSA-N 439.508 4.566 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)ccc1OC 170440795 ASZGIZAOZDXLPI-FQEVSTJZSA-N 429.900 4.872 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)OC/C=C/c1ccccc1 253579594 ZVMNEEGZRWYBKW-JXMROGBWSA-N 434.565 4.733 30 10 IJEE C=CCN(C[C@@H](Cc1ccc(F)cc1Br)NCCC)C(=O)OC(C)(C)C 406573734 NHXDLNWCGXHHTJ-QGZVFWFLSA-N 429.374 4.922 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1cccc(C)c1 468110346 UUQIGQHWPSDXTP-KRWDZBQOSA-N 444.564 4.949 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H]2CCc3cc(Cl)ccc32)nnc1-c1ccco1 481133795 AQHXPYYNPSZVIE-KRWDZBQOSA-N 428.945 4.663 30 10 IJEE C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(OCC2CCCC2)CC1 508846937 IMTSTGITGROEOH-UHFFFAOYSA-N 433.556 4.962 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 508893884 ITQLTMSIDBIFSI-IBGZPJMESA-N 430.455 4.520 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 508893885 ITQLTMSIDBIFSI-LJQANCHMSA-N 430.455 4.520 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2OC)ccc1O 526706847 AWPVKSGCZAXRIJ-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE O=[N+]([O-])c1cc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)ccc1O 526800560 TYCCZZDFLUGZOX-IWIPYMOSSA-N 445.504 4.657 30 10 IJEE C=C(C)Cn1c(SCc2nc3ccc(Br)cc3[nH]2)nnc1-c1ccncc1 541780605 QGBJNGPPWACVRT-UHFFFAOYSA-N 441.358 4.847 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCc1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1 547260375 KVOXFDAXWVWMIP-UHFFFAOYSA-N 439.249 4.891 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccccc2)CC1 555177128 CTIFLVJJBPGFAS-UHFFFAOYSA-N 436.357 4.886 30 10 IJEE C=C(C)CN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccccc1Cl 586171145 HIVYGMUSUDGDNN-UHFFFAOYSA-N 437.989 4.947 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)Nc3ncccc3OCCCC#N)c2C)cc1Cl 608882931 LZLOCHHDUIZMDD-UHFFFAOYSA-N 437.931 4.710 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 669730895 WLQQHKFFLGFRMA-KBPBESRZSA-N 436.396 4.769 30 10 IJEE C#CCCCCC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686836999 RPVYJWCNWLGYPQ-QHCPKHFHSA-N 428.617 4.881 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(CC)cc1 733202106 NMZBRVOQHQCSRC-FQEVSTJZSA-N 441.503 4.511 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740050213 IUQCFIMWMDEFTP-MRXNPFEDSA-N 435.549 4.734 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cnn(-c2ccccc2)c1Br 759636593 OUTQFTLWHMSBOZ-UHFFFAOYSA-N 446.688 4.548 30 10 IJEE C=C(Cl)COc1ccc([C@@H](C)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 773105011 PWRHCZUVVANKSJ-LJQANCHMSA-N 449.016 4.594 30 10 IJEE N#Cc1ccc([C@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)cc1 781347024 NWKSXGMESBVFQA-DNQXCXABSA-N 440.465 4.846 30 10 IJEE C#C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cl)cc1 811958569 DBWWREIKLROKBV-FQEVSTJZSA-N 433.886 4.584 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc([C@H]3C[C@H]3C)no2)ccc1Cl 904815235 CMBBRJMYINNLHS-PBHICJAKSA-N 429.929 4.895 30 10 IJEE CCOc1cc(C=NNc2nc(SCc3ccc(C(C)(C)C)cc3)n[nH]2)ccc1O 1084121541 WVNFPYXDBAIHSO-UHFFFAOYSA-N 425.558 4.945 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3)n2)cc1 1084570951 PZEBLZDBIYEIMT-UHFFFAOYSA-N 442.976 4.932 30 10 IJEE CCc1nnc(NS(=O)(=O)c2ccc(N=Cc3cccc(Cl)c3Cl)cc2)s1 1084631907 WNZLAJJKKVQYQR-UHFFFAOYSA-N 441.365 4.959 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1126168857 RWPFVBQMTAIFCM-UHFFFAOYSA-N 447.844 4.546 30 10 IJEE C=CC[C@@]1(C(=O)OCc2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1126665812 DMZIPARTNZGBSY-FQEVSTJZSA-N 429.435 4.974 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C=C)ccc1Cl 1128496418 VVGJKCPRAUTQDB-IBGZPJMESA-N 444.984 4.902 30 10 IJEE C#CC[C@@]1(C(=O)OCc2cc(C)ccc2Br)CCCN1C(=O)OC(C)(C)C 1131596861 YQFSAYMKCXGJLT-NRFANRHFSA-N 436.346 4.594 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 1135809133 HMMXFNDKZYIJMI-HXUWFJFHSA-N 443.519 4.879 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc1 1136537964 FRJBXGIEBCCCNT-UHFFFAOYSA-N 427.416 4.972 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccc(Br)cc2C#N)c1 1144650423 HHBMBCPGSHDWFQ-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC#CC[C@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1144922043 FVBGABXGMQLGJJ-XMMPIXPASA-N 435.527 4.710 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 1158669720 JLOZFEJHIWLKIR-UKPGIYTDSA-N 440.565 4.761 30 10 IJEE C=CCOc1ccccc1CNS(=O)(=O)c1ccc2cc(Br)ccc2c1 1187005256 HNUHMORWGJHXSA-UHFFFAOYSA-N 432.339 4.646 30 10 IJEE CCC(CC)(CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)OC(C)(C)C 1204207206 GHULHENKBUGQCS-UHFFFAOYSA-N 429.439 4.726 30 10 IJEE N#CC1(c2ccccc2)CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 1251261169 HDIWBBYXVACBLN-UHFFFAOYSA-N 429.756 4.893 30 10 IJEE C#CC[C@@]1(C(=O)O[C@@H](C)c2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1267232486 IKBHRPPYIDTYFV-BTYIYWSLSA-N 436.346 4.846 30 10 IJEE O=C(OCc1cn(CC(F)(F)c2ccccc2)nn1)c1c(F)cc(C(F)(F)F)cc1F 1273564567 HXIQZUFJKOAZCD-UHFFFAOYSA-N 447.310 4.724 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCCC2)c1ccc(Cl)cc1F 1275497547 FEIQGFDGCPUXEK-IBGZPJMESA-N 425.866 4.787 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)N1CCCCC1 1286273017 FALXKJQGWSPNAX-RXVVDRJESA-N 437.975 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@H]1C[C@H](F)C1 1286423784 PPCPBSRQKGWBGP-MEMLXQNLSA-N 446.526 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1Cc1sc(C)nc1C 1286518758 JMOYCWCUXDLRJW-QMHKHESXSA-N 439.560 4.671 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](COc2ccccc2)C1 1286542921 FEYDQZLHTTXSSK-LJQANCHMSA-N 445.405 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C 1286553533 VMNPOGSBOFLQBQ-PXNSSMCTSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286557519 IZFAFPAENIXRML-ZZLPTCMGSA-N 426.580 4.790 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 1286598740 AZYMBSFCIJEGOF-RTWAWAEBSA-N 437.588 4.920 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1286604467 UALYHWRLZCEBJD-MOPGFXCFSA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1286604744 PAAIWBMIFLRZRZ-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1286605184 JFDMXUXJHMRZJN-PKTZIBPZSA-N 437.632 4.629 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)OCC)CC1 1286637794 MZUZKOFRBKTBSJ-LJQANCHMSA-N 428.577 4.788 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCC2(CCCC2)C1)c1ccccc1 1286678201 SAHPHAILNLJLFN-JOCHJYFZSA-N 435.616 4.937 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1286679252 MSZCFYIZBARXIP-NRFANRHFSA-N 429.572 4.620 30 10 IJEE C=CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CCC)c1ccccc1 1286679301 NHNNOBOFZUQDLG-UYAOXDASSA-N 435.572 4.991 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OCC(C)C)C1 1286684520 IPRBWRJYNIWCJL-QGZVFWFLSA-N 436.398 4.643 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286685586 XDWJSLIWQXVRSH-UHFFFAOYSA-N 427.568 4.524 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@H](C)C1 1286747556 KECZKNJHJBQWHH-FQEVSTJZSA-N 446.624 4.803 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C)CC1)C(C)C 1286751375 PIHIVAWGSRIQJF-XMMPIXPASA-N 430.600 4.672 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 1286825260 IBWZSURCVYHJQN-NRFANRHFSA-N 427.662 4.660 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(CC)s1 1300273714 GYHLFKZHBJYQMT-ROUUACIJSA-N 438.597 4.947 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1300446753 SADVYFCNCHBECS-WIYYLYMNSA-N 440.016 4.813 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(Cl)s1 1300510977 FFGFAMVXHSOJOC-GOSISDBHSA-N 438.984 4.871 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC1CCC(F)(F)CC1 1300513670 YPQRWNUTQVZYQV-UHFFFAOYSA-N 447.327 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)C1CCCCC1 1300897084 NYNJSYOOIKIYOY-DVECYGJZSA-N 440.588 4.616 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 1301007036 APJSPCJCOGZEPW-IBGZPJMESA-N 437.588 4.705 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCCCCC2)CC1 1301069800 FYGCJEUGVWOLRR-UHFFFAOYSA-N 444.421 4.740 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(NC(C)=O)cc2)CC1 1301129498 VHRGJGRCNMRNNK-UHFFFAOYSA-N 435.597 4.534 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)C2CCCC2)CC1 1301133873 BSJJKWAKGZZLMV-UHFFFAOYSA-N 444.023 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1301155567 QCUXHBDISCAJCH-UHFFFAOYSA-N 449.643 4.674 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@@H](C)[C@H]1C 1301238975 IXUBGNWKKCMSBM-MOPGFXCFSA-N 437.613 4.725 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1301245468 IKARSASMGZAXNV-GASCZTMLSA-N 437.357 4.532 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCC(C)CC2)cc1 1301390444 HHKRSROUBRNXLD-XMMPIXPASA-N 435.616 4.983 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C)CC1 1301402312 LSRPPEOJLFIKIC-UHFFFAOYSA-N 433.556 4.775 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)N2CCCCC2)C1 1301541942 GXQMHXRYUCAAEU-OAQYLSRUSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(F)cc(C)c2C1 1301615757 VPGADQYMYDCMMV-UHFFFAOYSA-N 443.617 4.563 30 10 IJEE N#Cc1cc(F)c(N[C@H]2CCN(c3ccccc3Br)C2)cc1Br 1306971356 HMSOGCCLZZOQHE-LBPRGKRZSA-N 439.126 4.913 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1307281363 PSESZAMFFJDEBX-QHAWAJNXSA-N 448.677 4.589 30 10 IJEE Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(Br)c1 1310073827 CQDVQGRHQIHSLF-UHFFFAOYSA-N 433.737 4.637 30 10 IJEE C#CCN(C(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1)[C@@H]1CCCc2ccccc21 1310118861 SVSCYWCWIXPHQE-XMMPIXPASA-N 442.519 4.594 30 10 IJEE CC(C)COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1Cl 1349893559 ACBRWYBXVIYEJK-OAHLLOKOSA-N 446.334 4.891 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1349942027 JJMKMXMJMDRZPK-OAQYLSRUSA-N 427.372 4.998 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)CCCN1C(=O)OC(C)(C)C 1353765083 YTGVERKFOHDTTL-FQRUVTKNSA-N 439.600 4.650 30 10 IJEE C#CCC1(C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)CCCCC1 1357996945 ZSUAQNBTNPJMMJ-UHFFFAOYSA-N 444.575 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cc(C(C)(C)C)no1 1358875307 NEHBPRGMVMRWQG-QGZVFWFLSA-N 428.540 4.593 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N(CC)CC 1359002238 SHQJSLANWUNHLM-OAQYLSRUSA-N 432.616 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)c1ccccn1 1359064539 VGAXUBOEAZRVOU-NIYFSFCBSA-N 447.558 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1359187474 OGENWSOQPIUNPT-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)=C(C)C1)c1ccccc1 1359195684 QCEPMIRWGRKUJH-SGNDLWITSA-N 436.600 4.909 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359203288 MFTATSJKIBHLJE-WOJBJXKFSA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@@H](F)C1 1359255283 UEFRPMLLAMLAIZ-FCHUYYIVSA-N 435.547 4.603 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1CCc1sc(C)nc1C 1359256811 QMWLWCXZBXUDHG-UHFFFAOYSA-N 434.613 4.857 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCC1 1359257375 IUPNDXHDAZWYGI-OZXSUGGESA-N 436.600 4.868 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1CCOc1cccc(C(F)(F)F)n1 1359263155 RJUQLGXWTCDVNJ-UHFFFAOYSA-N 449.502 4.902 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1359265341 DELCWXAXJBRJOH-QHAWAJNXSA-N 433.710 4.896 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CC(C)C)C1 1359336562 UURFPLDKZAJLAD-FQEVSTJZSA-N 441.645 4.939 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359338879 KRAFOHOMQFDHFL-QFIPXVFZSA-N 426.630 4.680 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)s1 1359929322 CBALIGASXBEBAQ-UHFFFAOYSA-N 428.993 4.793 30 10 IJEE Cc1ccc(F)c(Br)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1436423936 HTCOPOCBPHBKHZ-UHFFFAOYSA-N 434.284 4.763 30 10 IJEE C#C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1)c1ccc(F)cc1 1436642765 ANPRGEJHBSSUOL-VWLOTQADSA-N 439.490 4.850 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OCC)C(C)(C)C)nc2sc3c(c2c1=O)CCCCC3 1458730466 PKASDYDEUWOLOJ-KRWDZBQOSA-N 434.627 4.983 30 10 IJEE CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(Br)c(C#N)c2)c1 1460566471 DHFWICMDRVUKQT-UHFFFAOYSA-N 428.330 4.691 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2COC3(CCCCC3)O2)cc1OCC 1461381487 YZCILKBFUJNETC-KRWDZBQOSA-N 440.378 4.578 30 10 IJEE C#CCCCS(=O)(=O)N(C)[C@H](c1cc2cc(Br)cc(C)c2o1)C(C)C 1463414633 VDXNNYKBXUAGLU-SFHVURJKSA-N 426.376 4.876 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1464360185 ODNYYSYJXLUKQR-LJQANCHMSA-N 430.589 4.883 30 10 IJEE C=CCC1(O)CCN(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1 1470950683 SGJMRFWDVVMLAI-UHFFFAOYSA-N 435.446 4.505 30 10 IJEE Cc1csc([C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C(F)(F)F)n1 1476320098 GYYAKIITWDWOIJ-AWEZNQCLSA-N 440.838 4.587 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1477661188 KOSMKFWADWWZAU-FOIQADDNSA-N 446.776 4.603 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C#N)CC1 1494869376 DZYOYIBTZISEES-BXKMTCNYSA-N 441.645 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1cccnc1)C(C)C 1507528788 NRMODZAONVHTSH-UGKGYDQZSA-N 426.568 4.730 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507542186 OGQYWCKBBKSFEY-BJLQDIEVSA-N 434.506 4.726 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1507689407 LLVNCONSMWKHML-UHFFFAOYSA-N 432.597 4.699 30 10 IJEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ccc(C)s1 1507753577 OXOMLRWVGBTQPT-UHFFFAOYSA-N 435.622 4.654 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCC(F)F 1507810662 LQHGRVSIWLFJPT-DYESRHJHSA-N 436.572 4.951 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C)COC1 1507823962 QIXAFRLQNZAYIO-UHFFFAOYSA-N 425.360 4.603 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 1507841553 WYWBDDNMRAVPLC-GJZGRUSLSA-N 437.357 4.532 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1507904029 JCFUIVANXPTCDZ-UHFFFAOYSA-N 434.506 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1csc(CC)n1 1507975336 PIZLQMNCDIWBJH-UHFFFAOYSA-N 438.420 4.653 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1507995184 FXZLASYWOXQGTP-UHFFFAOYSA-N 447.436 4.613 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 1507997657 WLQDAUIWTIGRLQ-LEWJYISDSA-N 426.605 4.619 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCc1ccc(F)cc1 1508029102 YDJRKCVRYFBDGO-UHFFFAOYSA-N 431.515 4.858 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(OC)CCCC2)C1 1508129062 PPCVJGXISRQWRB-FQEVSTJZSA-N 442.629 4.619 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1508153398 ZPNUJYSGAKNNOU-GOSISDBHSA-N 438.544 4.500 30 10 IJEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccccc1C 1508164740 LOXDAPMGQZAZFX-HXUWFJFHSA-N 446.624 4.942 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 1515902596 PNCJHFXRXAEJGK-UHFFFAOYSA-N 440.496 4.677 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H]1C 1519149743 BJNYWKBZIRFRPY-RDPSFJRHSA-N 435.616 4.972 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)CSc1ccc2c(c1)OCCO2 1521370467 GAQKEFYVDIOIFU-UHFFFAOYSA-N 433.485 4.957 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 1526201684 XASWAEKNOYEAOV-HXUWFJFHSA-N 439.556 4.907 30 10 IJEE COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1526498588 GSWYEHDQCLKXLX-UHFFFAOYSA-N 438.842 4.969 30 10 IJEE Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2Cl)n1 1526840746 BHGRJUBNIOXKTO-MWTRTKDXSA-N 439.947 4.766 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3Cl)CC2)c(F)c1 1527690685 FYQWNLCFYPFPBB-UHFFFAOYSA-N 449.913 4.745 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1528518206 AUNINNUAXOHPTM-RXVVDRJESA-N 433.581 4.673 30 10 IJEE C#Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 1528531272 SKMXKQYOYTXEHJ-LJQANCHMSA-N 432.442 4.569 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCCN1C(=O)OC(C)(C)C 1529986498 MUPLOHNGUCNVIW-RUZDIDTESA-N 444.572 4.776 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 1535433381 SXRMVDGZQRJGGW-UHFFFAOYSA-N 442.313 4.769 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CCCN1C(=O)OC(C)(C)C 1537651133 MAJRAVJNMWCGTB-UQBPGWFLSA-N 426.557 4.895 30 10 IJEE C#Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(Cl)c1 1538769623 IZPZDMNUEMNRNC-PDGQHHTCSA-N 444.940 4.690 30 10 IJEE C#Cc1ccc(C(=O)Nc2nc3cc(Br)ccc3n2-c2ccc(C)cc2)cn1 1539075451 RFIGRQBMUUZGQL-UHFFFAOYSA-N 431.293 4.725 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1539138899 AVGQTQKDSVWLKB-JOCHJYFZSA-N 448.640 4.947 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC=C)C1CC1 1539499897 QWFKYLRDZLGUCO-UHFFFAOYSA-N 431.403 4.537 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1539504709 MNLCGZYABLFBMW-KRWDZBQOSA-N 441.626 4.616 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1539513862 NBFFSCBZPOAUSN-SFHVURJKSA-N 431.005 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1539654915 HZLZOHKIHTYLCL-QGZVFWFLSA-N 437.613 4.986 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(F)(F)F)C1 1539691356 WSHZFNPCHPQXEK-KRWDZBQOSA-N 426.508 4.619 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(C)(F)F)CC1 1539848810 RNYXSJBDJKWOKE-UHFFFAOYSA-N 439.551 4.594 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@@H](C2CCC2)C1 1539974701 FJWQUBJHLUQGQP-BHDDXSALSA-N 430.637 4.806 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)C(F)(F)F)cc1 1540108174 YSWYYHSVVLZZKD-OAQYLSRUSA-N 428.385 4.942 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCSC(F)(F)F 1540120347 CZVYPGHSJVSROG-UHFFFAOYSA-N 444.486 4.657 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1Cc1ccnc(SC)c1 1540140302 UULSOMIBMPJLRX-HXUWFJFHSA-N 439.560 4.627 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1c(F)cccc1F 1540154330 UUHVDCCORAKOET-UHFFFAOYSA-N 448.315 4.735 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OC1CCCC1 1540163320 XJJCYFBSSPGCBV-UHFFFAOYSA-N 440.551 4.760 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2N(C)CCCC2(C)C)C1 1541375865 CVCWOIHXXCOKGY-XZOQPEGZSA-N 434.632 4.810 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)C1 1541486571 HDXLKPNMNPTMBB-UNMCSNQZSA-N 432.572 4.585 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)OCC 1543332302 GXCHKHFVCIGVLT-IBGZPJMESA-N 440.924 4.590 30 10 IJEE C#CC[C@H](COC)NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1543467022 ADWSBEGCSWLKSZ-OAHLLOKOSA-N 434.348 4.676 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)c1 1543757631 XXIJAEQNKCQDSR-OAHLLOKOSA-N 429.398 4.570 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 1544269014 OWCMWTLTQNNMDW-IBGZPJMESA-N 429.347 4.508 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCc2cc(Br)ccc2F)c1 1544832506 HJXJDZSCLVWBCI-UHFFFAOYSA-N 439.284 4.969 30 10 IJEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOC1CCCCCC1 1555961648 AAAJHVAJZZXDOB-IBGZPJMESA-N 437.588 4.560 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1ccccc1O[C@H](C)C(=O)OC 1560629987 JNHPHSMSFGHSCU-OAHLLOKOSA-N 436.321 4.717 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1 1562324818 GDRZVDHDVOJQNM-INIZCTEOSA-N 439.503 4.655 30 10 IJEE COC(=O)C(C)(C)CCNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1562989586 HSJUFTLTZIXIML-UHFFFAOYSA-N 432.336 4.687 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)C(C)C 1563453637 LZBHEHQXWQNFFW-RBBKRZOGSA-N 448.449 4.722 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCN1CCc2ccccc21 1563468941 RWICSGPPQDZFLP-UHFFFAOYSA-N 446.364 4.739 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 1563901015 ZYZKIYMRXOCYEU-QMMLZNLJSA-N 439.522 4.513 30 10 IJEE COc1ccccc1[C@@H](NC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1ccccn1 1564492887 FJPQWCBYICIDBE-RUZDIDTESA-N 426.520 4.640 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F 1570213515 GJQWTGANACJMNO-ZDUSSCGKSA-N 449.292 4.501 30 10 IJEE COc1cccc(-c2cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)n[nH]2)c1 1570552485 HUXMTYZWLFOKCK-AWEZNQCLSA-N 428.414 4.659 30 10 IJEE CC#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 1583661566 JSILZDWHCLHJPY-VZWFDDOASA-N 430.935 4.879 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1ccon1 1587705740 HQMJFTWCIHOBRC-UHFFFAOYSA-N 432.553 4.805 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1587837965 LNJSEXCYACSPKS-HNNXBMFYSA-N 444.992 4.845 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCC(C(F)(F)F)CC1 1588398174 BCKHZWIHQWTJFV-UHYCVJNDSA-N 448.489 4.619 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H](OC)C(C)(C)C 1588560096 MSAPVGBRCIMGDR-NRFANRHFSA-N 440.588 4.770 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](COc2ccccc2)C1 1594003683 GMPYNBYPUDXRNZ-CEWLAPEOSA-N 445.007 4.855 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[C@H]2CCCCO2)CC1 1594430818 QENFMWCPQWKMJO-OAQYLSRUSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCC2=O)CC1 1594461644 VKDPNUOYVGKDQW-UHFFFAOYSA-N 442.007 4.792 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)N(CC)CC 1594907318 SMIRBEXNPSISPH-AWEZNQCLSA-N 440.817 4.714 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](c1ccco1)N1CCCC1 1594997781 OBRNTPLHIVQHCS-QFIPXVFZSA-N 435.572 4.526 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCCN1CCCC[C@H]1C 1595116864 WFUBMCFRFFADHP-ISKFKSNPSA-N 437.632 4.977 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC)c2ccccc2)C1 1595738043 KPKDXPIFUZPHEE-KNQAVFIVSA-N 437.613 4.609 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1595905113 DHWNZCFWWIONMU-SFTDATJTSA-N 439.673 4.586 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1611291809 GBQSREPMOWNMNQ-PVAVHDDUSA-N 449.477 4.781 30 10 IJEE C=C1CCC(CNC(=O)c2csc(I)c2Br)CC1 1611415566 GYOWUOVDAZEGSJ-UHFFFAOYSA-N 440.144 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 1618423238 FYLJETPVZRDRSB-DEOSSOPVSA-N 437.565 4.839 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C)c1ccc(C(F)(F)F)cc1 1621949525 POQMNNXZWDNEAL-SFHVURJKSA-N 441.471 4.786 30 10 IJEE C=CC1(CC(=O)N2CCC(=Cc3cccc(OC)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1622060953 WICPYCFJDCZHTQ-UHFFFAOYSA-N 426.557 4.514 30 10 IJEE C=CCC1(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)CCCC1 1622358567 UGYFSTCAJCTTAE-UHFFFAOYSA-N 428.270 4.515 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(COCCOC(C)C)c1)c1ccc(Br)cc1 1623004688 IYDVHMXUGSVSJF-NRFANRHFSA-N 445.357 4.887 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 1626165156 CXYJZIFATWFCSU-IBGZPJMESA-N 448.441 4.551 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)cc1OC 1626692261 LVRJHASBLBPGNN-IMTHGLKYSA-N 429.557 4.634 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1ccc(OC(F)(F)F)cc1Br 1630313811 ALFYUCYMQRVGCL-UHFFFAOYSA-N 432.167 4.751 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 1632373776 RFFSIGCSVMBSEH-OAHLLOKOSA-N 436.936 4.708 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 1632832031 AZSPALFNBOPZPU-KRWDZBQOSA-N 443.569 4.933 30 10 IJEE C=C[C@H](C(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1)c1ccccc1 1634221476 KVYTWPSXOZCKIU-IBGZPJMESA-N 448.460 4.791 30 10 IJEE C#CCN(C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1634940336 BINOHQDPGQMROB-QHCPKHFHSA-N 437.584 4.666 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1635195227 HDUYZTIRWNCULS-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1 1645275805 IGSUCWTXDGLBBK-QGZVFWFLSA-N 426.561 4.834 30 10 IJEE C=C(CSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1)C(=O)OCC 1652521083 HKLURMWZLNLHLR-UHFFFAOYSA-N 430.574 4.615 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3ccc(C#N)cc3Br)CC2)C1 1653777303 CRBHRJZXFBWPFZ-SFHVURJKSA-N 448.405 4.790 30 10 IJEE COc1ccc(C#N)cc1CN(Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 1654319493 DFUHXMLICMBQNX-FQEVSTJZSA-N 429.358 4.819 30 10 IJEE C=CCOc1ccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)cc1Cl 1657672603 OZLNWIDRCUZORI-OAQYLSRUSA-N 436.777 4.677 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)c1 1658979603 MHQQSVWHPGCLRN-INIZCTEOSA-N 447.457 4.846 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 1667558650 JOZAZDZHMPFPAU-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCN1CCCC[C@@H]1CC 1669361768 FYQURXOLUHJKJG-SFHVURJKSA-N 426.374 4.550 30 10 IJEE CC(C)(C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1(C)C 1669677607 AOKBVHCALBRUIV-CYBMUJFWSA-N 431.371 4.685 30 10 IJEE Cc1cc(NC(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)ncc1C#N 1672163900 AHNLJIMUECITOT-UHFFFAOYSA-N 427.386 4.790 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1)C(C)C 1674145610 MVNDHLOCWLRWMT-XMMPIXPASA-N 425.617 4.606 30 10 IJEE C#CCSCCNC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1674712353 FZTFHYMMEQTLDT-UHFFFAOYSA-N 425.392 4.896 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3C[C@@H](C(=O)OC(C)(C)C)c4ccccc43)cc21 1675098788 NWTWIPAJCSQIMM-NHCUHLMSSA-N 432.524 4.914 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)c1ccc(Cl)cc1 1675495849 CVBNNGHWLADMFQ-YADHBBJMSA-N 425.960 4.549 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CCCC1(C)C 1675616133 CKERBHCIABBJPL-HKUYNNGSSA-N 443.592 4.800 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN([C@H](C)c2ccccc2)CC1 1678356345 RWPZOCPSPXPVFG-QGZVFWFLSA-N 444.373 4.925 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1)C1CCOCC1 1680815114 NFBFTEWJRVXSPH-QFIPXVFZSA-N 442.943 4.738 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c(Cl)c1 1680875196 KPTNDGPTUJQFKL-IBGZPJMESA-N 445.869 4.775 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1681165656 FZQIJMQEWRJZJR-CQSZACIVSA-N 449.951 4.744 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1683130498 KWBGLWVNTQOAEC-DEOSSOPVSA-N 444.579 4.726 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1684450293 VCHGJBCHHHBTRM-YJMBLLCNSA-N 427.589 4.951 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(Br)cc1 1686274272 GGMWJOLRBYRBPM-JOYOIKCWSA-N 432.265 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C(C)C)CC1 1689862889 IWXCZLGBEJPXBG-INIZCTEOSA-N 431.378 4.514 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC2(CCOCC2)C1 1689878571 NJRPERSWWPGBHF-UHFFFAOYSA-N 444.526 4.747 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(F)(F)F)CC1 1689882713 JJPDWHGUMZQDCK-UHFFFAOYSA-N 436.478 4.545 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1689938774 WBDWQBKWHZXRIW-RTBURBONSA-N 426.630 4.898 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)C1CCCCC1 1690200072 KADBCIRBQHVTJZ-DNQXCXABSA-N 426.992 4.922 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCCOC1 1690304931 RJDSXCCETIHHKG-RTBURBONSA-N 444.645 4.587 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2=CCCOC2)CC1 1690380239 HRXNLPCKLMIMJX-UHFFFAOYSA-N 442.991 4.755 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 1690415705 VKEBMZYNWFXZKU-FQEVSTJZSA-N 441.526 4.957 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@@H]1C 1690420055 JAYAJDZEJCCQLV-AWEZNQCLSA-N 438.439 4.590 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1690463128 VXPSIEUTGBPRPU-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1690467220 PFMXZJBLSWHSBU-OAQYLSRUSA-N 449.624 4.928 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC(C)=C(Br)C1 1690493732 QKIFNHAGIVBCEQ-UHFFFAOYSA-N 435.341 4.841 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1690572285 YFIFADNBZWXZDY-RCZVLFRGSA-N 447.558 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)C(C)C 1690574257 UOUBODZJPKUDIN-UHFFFAOYSA-N 449.580 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCOC1CCCCCC1 1690576152 OVUSPYGXHBREHU-UHFFFAOYSA-N 440.617 4.672 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCCCCC1 1690585723 TZLIMOFUCPYNOR-IBGZPJMESA-N 428.552 4.821 30 10 IJEE C[C@H](NC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1692768073 ANYOJQRMRPPDFR-FQEVSTJZSA-N 443.599 4.600 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](OC)C1CC1 1695670865 HUAKTVRBYLAUTC-IBGZPJMESA-N 441.988 4.983 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCCN(C)C(=O)OC(C)(C)C 1705478249 YMPLAFJRLYSTNS-PZJWPPBQSA-N 439.604 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccc(Cl)cc1 1705506260 UODKEPRAZNIYFQ-ZCLUNYJNSA-N 445.007 4.776 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1ccsc1 1705608081 DCDFXYFWAAHJIT-UHFFFAOYSA-N 432.549 4.881 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC(=O)NC(C)(C)C 1705710892 TVXHCTNPNQWISA-HXUWFJFHSA-N 441.620 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC1(SC)CCN(C)CC1 1705712113 KUVDIEGDQNZPLI-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705739938 WSEDBWSPASHXFG-OAQYLSRUSA-N 446.542 4.630 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2oc3ccc(F)cc3c2C)CC1 1705761352 JVHATUMIQVTEJR-UHFFFAOYSA-N 439.535 4.595 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1705797619 ZCIKJRWFPTUYGC-IBGZPJMESA-N 449.990 4.667 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC2(CC2)C1 1705822994 YCEGAKPNBMFJAW-UHFFFAOYSA-N 437.371 4.747 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCSC1 1705859513 SFKVDJJICBPHSM-SFHVURJKSA-N 425.989 4.939 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1Cc1ccc(N2CCCCCC2)nc1 1705861371 CPDJABFNEPSYKL-UHFFFAOYSA-N 430.600 4.857 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@H]1C 1705940711 NFBTVTCDQINYJI-MJGOQNOKSA-N 432.659 4.896 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)N[C@H](C)c2ccccc2)o1 1707353884 GUKFDJKJMKRVDZ-LJQANCHMSA-N 432.572 4.716 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C)c1nccs1 1711670970 DMVAPWBBEGEXNU-UONOGXRCSA-N 430.965 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCN1CCCC 1722472880 VDFYXVKHUOQMLB-YIXXDRMTSA-N 449.643 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)nc1 1722517466 TWCCHQVXOWBDNO-FQEVSTJZSA-N 440.592 4.504 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1722532759 VVEJJKWIKHOOBQ-NRFANRHFSA-N 430.980 4.760 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[C@@H](OCC)C(C)C)CC1 1722575427 JECQUQRXCODNDR-HXUWFJFHSA-N 426.561 4.527 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCCC1(C)C 1722594851 FOGJMNXWOKFLIM-RUZDIDTESA-N 440.588 4.798 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N(C)CCc1ccc(Br)cc1 1722604268 XAYMYXLDJAMLGV-SFHVURJKSA-N 433.394 4.580 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(c2ccnn2C)CC1 1722606861 VPXDBXJQZRRZRU-UHFFFAOYSA-N 448.615 4.948 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccnc(C(F)(F)F)c1 1722643748 ZINQJINLMSUFMN-UHFFFAOYSA-N 431.462 4.558 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1722673237 MEBUGUQIZGMWAY-HNVPCBRESA-N 438.616 4.755 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1723363798 ASHOWJPFGRBDTP-DEOSSOPVSA-N 444.023 4.840 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1csc([C@H](C)OC)n1 1727687128 HCDUJZVSOFSTSC-GQIGUUNPSA-N 436.585 4.654 30 10 IJEE CCCCn1cc(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCC(C#N)CC2)c(C)n1 1728067552 CMTPWKLKOQZUCD-DEOSSOPVSA-N 445.615 4.913 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](CC)N1CCCC1 1740537690 GMWHNQARFJBEAN-NQIIRXRSSA-N 448.640 4.709 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CC)C1 1740574044 COJCNDDPYHURKY-SFTDATJTSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCCC[C@@H]1C 1740663167 AUKLDXDOKFIVPF-QFIPXVFZSA-N 444.627 4.916 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C1CCC2(CC1)OCCO2 1740802574 AUGUZUIDUGICKR-HXUWFJFHSA-N 430.980 4.694 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[C@H](OC)C(CC)CC)CC1 1740822204 ZZRCWIBJZCTGBZ-FQEVSTJZSA-N 426.561 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740850453 GWIPIQBHNJGSRR-MSOLQXFVSA-N 431.575 4.668 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cc(C)nn1C)C1CC1 1740913768 TVYOUHFTAGMNHX-UHFFFAOYSA-N 434.588 4.534 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCS1 1740937408 YGZCRFYDCXEHLO-OAQYLSRUSA-N 426.561 4.732 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(F)(F)F)C1 1740979589 ANILCVACAUUDGO-QGZVFWFLSA-N 428.886 4.646 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](CC(C)C)C1 1740998985 VMIOUDPXFSXUOG-SFHVURJKSA-N 428.602 4.508 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc2ccccc2o1 1741135748 BMGGORIUQBKBRX-NQSCKRDGSA-N 435.572 4.781 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)(C)C)s1 1744415746 GYGKYLUETBIESC-IBGZPJMESA-N 438.601 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H]1CCO[C@H](C)C1 1748649220 LLBITKBYGPQWQW-ARFHVFGLSA-N 449.368 4.510 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(C(F)(F)F)c1 1748655796 GEJZZHLSJXBIPY-CYBMUJFWSA-N 449.864 4.527 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1N1CCCC1 1748718719 NIRMYOIFZNNWFN-UHFFFAOYSA-N 433.625 4.971 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1749106316 BIYAXDXIVNAIMO-SFHVURJKSA-N 442.361 4.669 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCCc1ccccc1 1749128018 QQRGIKQWGCAZAL-LADGPHEKSA-N 431.584 4.699 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(Cc1ccco1)C(C)C 1749132571 AMEWNTPINFOYEF-SIKLNZKXSA-N 426.586 4.920 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCSC(C)(C)C1 1749240133 SVUJVWWOVFGGOD-UHFFFAOYSA-N 448.658 4.504 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1 1749392056 YOECWDRAVIMRGN-CTNGQTDRSA-N 427.568 4.588 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[C@@H]2C)C1 1749696154 AJOZPOVIRXVDFY-VNTMZGSJSA-N 428.552 4.775 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(OC2CCCC2)nc1 1760107734 XDMBKIRDZKWZDT-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CCC)CCC1 1760111525 OFNCRYBJEVLDIV-IBGZPJMESA-N 446.599 4.664 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC1CCC(OC)CC1 1760194495 JRKFHWUGWKUZMI-ZKMFCFPVSA-N 448.611 4.703 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1ncc(C)s1 1760209756 HQVUHHAZNYKQFX-GOSISDBHSA-N 435.622 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C)C1 1760317306 DNOLMVCOCMXYRN-KPFFTGBYSA-N 432.515 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCC(F)(F)CC1 1760331484 IWDVMXPYLFPNPF-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1760345635 LBFVNZTZMDHJLY-CEWLAPEOSA-N 443.636 4.984 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC2CCCC2)CC1 1760376437 PLNQKSXWVOESLM-UHFFFAOYSA-N 436.934 4.828 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1760385443 QXFVGFVPPBGSPT-SJLPKXTDSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1760400268 URDPBZINXKSEMW-OAQYLSRUSA-N 430.600 4.653 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760428965 MJYTYRSGAFFYSI-SFHVURJKSA-N 429.559 4.748 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861188670 LKJCVDUEFDNITF-BKMJKUGQSA-N 447.639 4.799 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(-n2cccc2)cc1 1861778370 XPTPWKFTAURGLE-QFIPXVFZSA-N 429.630 4.806 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(F)cccc1Cl 1862461095 XIPRZTJKXOQURU-QGZVFWFLSA-N 427.781 4.885 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478427 HBNMGOOTZDYFRV-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc(Cl)c1O 1862484727 RKLMFXYFIQJJPO-HXUWFJFHSA-N 443.927 4.987 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 1862515165 ALPWLFVQHKBSRB-HXOBKFHXSA-N 437.536 4.558 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 1862585598 ZWSPSFNVEWASCZ-IBGZPJMESA-N 446.286 4.505 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1Cl 1862607554 RULWFNQYIZSACE-NRFANRHFSA-N 441.911 4.736 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2F)c1 1862702774 LZGLZCSDUFCVFP-NRFANRHFSA-N 437.492 4.717 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2ccc(OC)cc2)C1=O 1863335811 RDOFVCYZCNBXPF-UHFFFAOYSA-N 433.552 4.700 30 10 IJEE CSCC[C@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)Nc1cccc(C#N)c1 1866794925 OGANZBYIHVCVML-QFIPXVFZSA-N 437.609 4.801 30 10 IJEE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867132134 OHHLHSBXIHHPHU-QPPBQGQZSA-N 447.485 4.892 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870838881 ZBLSNFFTKSCDJD-UHFFFAOYSA-N 443.632 4.957 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccco4)c3C)C2=O)c1 1871369434 LLHAPOATDOGKOR-XNHXLOTDSA-N 432.428 4.840 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871381824 FNLCMMIONDYVFF-GZCGBYDHSA-N 432.453 4.770 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)c1 1871387493 YHOMANSIKOTPPI-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE CCn1cc(/C=C2\Oc3c(CN4C[C@H](C)O[C@@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 1871394982 AWXPANBDUMLNCS-NZPPYITCSA-N 446.547 4.901 30 10 IJEE CCOCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871444603 LRIRLBUAUANCGD-HMAPJEAMSA-N 438.520 4.867 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)CCCC 1871993532 COXIGLCFUZMZPE-HSZRJFAPSA-N 428.598 4.991 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cccs1 1872103621 ZIEWZCPMRCSXDO-HXUWFJFHSA-N 445.610 4.994 30 10 IJEE C=CCNC1=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N(C2CCCCC2)C1=O 1873136056 AHMOXQVHSITOAB-UHFFFAOYSA-N 446.391 4.912 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(Cl)c1)n2CCCOC 1873656971 PREWORFGMHFMDL-UHFFFAOYSA-N 439.947 4.552 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(F)cc1 1874221659 WSCWUZPMUIFKLB-LFVJCYFKSA-N 426.517 4.598 30 10 IJEE CCOc1cc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SCC)ccc1O 1874230728 YZSSHHHIXDHCJK-FSJBWODESA-N 446.960 4.917 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(C(F)(F)F)cc1 1874289367 ATPLZFNVUVXLTL-WYMPLXKRSA-N 436.459 4.879 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccn2C)cc1 1874306750 NMRJOUUKJGVFOK-WGOQTCKBSA-N 449.555 4.724 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874394781 VMWAFDBHUZQARG-GTPWMTBTSA-N 444.564 4.679 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2[C@@H]2CCCO2)c1 1874442993 PZWTUQFUMTWOJY-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE COCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874501419 GOMKJPGLEZOFTB-WYMPLXKRSA-N 444.532 4.534 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cccc2ccccc12 1874524595 WHEUNXDRIJWXKC-MFKUBSTISA-N 429.549 4.915 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CC)nnc2SCC(=O)OCC(C)C)cc1 1874527639 YMGZDAPLSQFSTO-OEAKJJBVSA-N 432.590 4.583 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCO1 1874663519 OSKKYSISFCBMEQ-RPWUZVMVSA-N 441.616 4.631 30 10 IJEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc2OC)c1 1874707747 VFPMDXRYXVPYQH-RMKNXTFCSA-N 432.428 4.548 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)[C@@H]1CCCO1 1874718690 LXSINLJLURCINV-LUFJGRFYSA-N 432.472 4.838 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)Cc1ccccc1 1875084888 FQHFZJPXHLGVRI-VAWYXSNFSA-N 447.443 4.656 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)Cc1ccccc1 1875116837 VITJQZGQCWXJBP-MDWZMJQESA-N 447.443 4.656 30 10 IJEE CC(C)(SCc1ccc(C#N)cc1Cl)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882753075 XUHHMRRIELIFTO-SFHVURJKSA-N 432.929 4.603 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2c(Cl)ccc3cc(Cl)cnc23)CC1 1890311403 LZOZGIIGFCXUTL-UHFFFAOYSA-N 440.334 4.549 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1C(F)(F)F 1890917563 FLPFQXGKHFFJRR-UHFFFAOYSA-N 440.387 4.516 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(F)c(F)c(Cl)c3F)cc21 1891617254 XCZZSHIRKOPKGK-UHFFFAOYSA-N 438.833 4.947 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2CSC[C@H]1CC(NC(=O)OC(C)(C)C)C2 1901985293 FHRVIUCNMWHYOY-UBODTHMXSA-N 439.622 4.561 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)CNC(=O)OC(C)(C)C 1948379272 DELHYFCDPWDXBC-GOSISDBHSA-N 433.549 4.880 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)CC(C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 1986148418 HDIOAOVOLWGKMD-UHFFFAOYSA-N 433.574 4.778 30 10 IJEE C#CC(C)(C)C[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2002379369 YVZWXQMAHHPQIA-NVQXNPDNSA-N 427.633 4.574 30 10 IJEE C#CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CCCCC1 2059471817 DMAOUZDDSQZNTP-NZQKXSOJSA-N 442.600 4.670 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1F 2080119865 RIMSXZYQKORVPQ-CYBMUJFWSA-N 436.203 4.620 30 10 IJEE Cc1ccc(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C#CCCO)c1 2095883449 NHQNUMARHBOZLX-UHFFFAOYSA-N 440.587 4.503 30 10 IJEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)c1cc(Cl)c(Cl)s1 2157042295 VDPJHYJAWJSIRD-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2174764760 CKFYERMKUBOFHY-KRWDZBQOSA-N 440.357 4.932 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174814707 KOBFXINPBNHGPT-LSDHHAIUSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(C#N)c(Br)c2F)C2(CCC2)C1 2174821749 KFJXVCRTAVUJSS-CYBMUJFWSA-N 438.341 4.734 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190479806 WJGLHZPPWKHZBA-DZWGLGNASA-N 447.428 4.802 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(COc3cc(Br)cnc3C#N)CCC[C@@H]12 2198820617 SEUYODAJOWSYLB-YLJYHZDGSA-N 436.350 4.664 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1cc(C)ccc1I 2240955227 VDNCFXVRZIGYNJ-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE N#Cc1cc(NC2CCC(NC(=O)OCc3ccccc3)CC2)ccc1Br 2249984510 QJMFYOKLSOZRRT-UHFFFAOYSA-N 428.330 4.970 30 10 IJEE Cc1cc(C(=O)Nc2cccc(OCc3ccccc3)c2)oc1B1OC(C)(C)C(C)(C)O1 2267517486 UKRJWJRPWLWEHC-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2296217294 SNRANDDYHDJMLB-YJBOKZPZSA-N 449.311 4.624 30 10 IJEE O=C(O)c1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 2314547725 KSOAYVCTADGYLF-UHFFFAOYSA-N 444.468 4.892 30 10 IJEE O=C(O)CCOc1ccc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)cc1 2314930802 JLLCQJFRJBXHSM-UHFFFAOYSA-N 437.304 4.739 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1OC 2322210961 ORNOZETYAWNTSS-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCCOc1c(OC)cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc1[N+](=O)[O-] 2323852338 XVPVAFZFOLQTRF-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1cccc(C(F)(F)F)c1 2324900438 HHNXKOJKRQSNBM-UHFFFAOYSA-N 429.350 4.932 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cc(OC)ccc1OC)C2=O 2325079415 PXLWNIWNUVRGAP-IBGZPJMESA-N 440.492 4.739 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OC)c1OCC 2325544241 UWPVRZVTCPJEEB-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1OC 2325649462 PSHXPTDOQDPBOP-UHFFFAOYSA-N 432.314 4.776 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(Cl)cc1 2327853265 TUZRLRKBPDGMDG-MRXNPFEDSA-N 431.993 4.596 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(O)c(O)c1 2327954547 RRMGACQDBWVFTG-UHFFFAOYSA-N 428.945 4.678 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(OCC)cc1 2328403621 XLEBOZBYFZXPAP-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1cccc(F)c1)Nc1ccc(F)cc1 2330651512 HWNQYESVFUIMBY-UHFFFAOYSA-N 449.486 4.836 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cc(C)ccc2O)cc1 2331382210 KPAZNKSWMPWFSF-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE CC(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc2c(c1)OCCO2 2331453588 JHRFJRSDSXIZSH-UHFFFAOYSA-N 426.517 4.561 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc(OC)c1O 2331491626 WVWCXXMLWXJWRX-UHFFFAOYSA-N 442.516 4.582 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(CC)cc1 2331537669 GARDZHQXJMETHE-UHFFFAOYSA-N 427.618 4.731 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(OC)ccc1OC 2331595145 SKQPVHPUJQPYEN-UHFFFAOYSA-N 448.548 4.769 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc(Cl)c1 2331630552 HBZASVFOKBOHKY-UHFFFAOYSA-N 431.924 4.636 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)c(OC)c1 2331717216 HQSBQFSUCUTIMO-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE CN(CCCCCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1)Cc1ccccc1 2339534161 BOIUIJAYHHRZEW-UHFFFAOYSA-N 435.421 4.862 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2344290356 KFERYNLPDKAVSH-HZPDHXFCSA-N 429.399 4.629 30 10 IJEE Cc1cc(CNCc2sc(Br)cc2C)ccc1B1OC(C)(C)C(C)(C)O1 2369618489 LGEGXUWEXSPLBH-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1413109 LOJAFCQVGPDLRP-LICLKQGHSA-N 429.881 4.612 30 10 IJEE O=C(/C=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 40464910 WDTFANBEFOVMPJ-DHZHZOJOSA-N 428.404 4.726 30 10 IJEE O=[N+]([O-])c1ccc(Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)c([N+](=O)[O-])c1 59535902 KZEFCPNHEUSCPY-FYJGNVAPSA-N 437.437 4.616 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(OC)c2)nnc1-c1ccc(F)cc1 59795736 HPXMQEFOYVJVSL-UHFFFAOYSA-N 432.908 4.663 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@H]2c2cccc(Cl)c2)cc1C 102903818 OODROGNURHHGIF-VZCCSQPZSA-N 440.908 4.740 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)c1 169981960 RUPHFAUNRDOSBC-QFIPXVFZSA-N 447.512 4.865 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccncc2)cc1 170019911 OKMPINATTOYMIX-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCO2 170081226 XNRMYBBMAWWKJC-JOCHJYFZSA-N 447.874 4.763 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)c1 170098184 OOLFYWGFZKTCSX-IBGZPJMESA-N 432.457 4.681 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 170149435 JMRCCNHHZKXURM-JOCHJYFZSA-N 432.520 4.690 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)c1 170166151 TUDBPIUVZVCNFI-FQEVSTJZSA-N 429.538 4.540 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccn1 170167892 PWNMJIHLCQGLEM-LJQANCHMSA-N 440.908 4.584 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)cc1C 170172898 NIZSOWJJYOMTED-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccccc1 170232349 WEBTVQCZQHLFBR-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 170239467 DHVTVSPODLTOHU-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(F)cc2)cc1 170239977 KRSDTZZKWYBTNO-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccco2)c(OC)c1 170289344 QUKNURRCXVOLLF-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(C)o2)c1 170301117 CKBZHYBJXJZOHU-HXUWFJFHSA-N 439.851 4.739 30 10 IJEE CCOc1ccc(N=C2S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CC)cc1 252604845 GEKLBJJAUXFYBV-LJQANCHMSA-N 425.554 4.682 30 10 IJEE O=[N+]([O-])c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 254846700 PBPHDQJCNMIBJP-UHFFFAOYSA-N 446.398 4.941 30 10 IJEE C=CCCc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O 410353547 MAXYNJLWBBAAMM-UHFFFAOYSA-N 427.426 4.931 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490047633 FGSHYTFLGOHAEO-LSDHHAIUSA-N 440.638 4.650 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](O)(C(F)(F)F)C1 508734862 TWSIYEUCFHRMGF-QGZVFWFLSA-N 428.867 4.503 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1nc2c(s1)CCCC2 508833966 RJJLXRQJYGEKIX-AVRDEDQJSA-N 435.597 4.681 30 10 IJEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccccc2C(=O)O)c1 526517998 WASVJJASFWZUBG-NRFANRHFSA-N 430.847 4.967 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccccc1C 526831723 VLHXOTZBBJIRAS-QRVIBDJDSA-N 426.542 4.872 30 10 IJEE Cc1nc(C2(NCC(=O)Nc3ccccc3S[C@H](C)CC#N)CCCCCC2)no1 533034599 UYHNJXQCQDAYFB-MRXNPFEDSA-N 427.574 4.550 30 10 IJEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 555261659 YVPKUUCRNYPDLN-UHFFFAOYSA-N 434.506 4.959 30 10 IJEE C[C@H](OC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787552172 WTQUAZAPKNQWHM-NPRIEWAGSA-N 426.875 4.514 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1F 790276326 KTZFPRWTFXTHIW-FQEVSTJZSA-N 441.528 4.761 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 1126063045 IGFDAKDWSIRJKP-ZCYQVOJMSA-N 426.601 4.980 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(Br)nc(Br)c2)cc1 1128035731 ZRWJPYDBLNKGMF-UHFFFAOYSA-N 441.144 4.689 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)C(C)(C)C)cc1 1128143443 IIRYYZBNAYIVTC-FQEVSTJZSA-N 438.543 4.879 30 10 IJEE CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C(C#N)(CC)CC)c1 1128852791 HAJZMRHWLURCJG-UHFFFAOYSA-N 427.570 4.950 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2cc(C3CC3)ccc2F)nnc1-c1ccco1 1129187702 YOSDJVAEHYVWEC-UHFFFAOYSA-N 426.517 4.539 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1(c2ccc(I)cc2)CC1 1129664442 WSQWFELVMIQEBO-IBGZPJMESA-N 431.317 4.626 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)C(C)(C)C 1129738912 OBESTLRJRSNMOS-SFHVURJKSA-N 429.303 4.572 30 10 IJEE N#Cc1ccccc1N(C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)C1CCC1 1131149376 HMLWWIXSKRNWQC-UHFFFAOYSA-N 430.529 4.731 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)C1 1131664216 QBJKLHYPPWQBBY-AWEZNQCLSA-N 434.355 4.584 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 1134520107 PHVAROFFDGQBAY-UHFFFAOYSA-N 446.588 4.663 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 1136340819 FUWXTIZFRAZJEQ-UHFFFAOYSA-N 429.442 4.787 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccccc1-c1ccccc1 1136436181 LUTPHZOSJGNBES-FQEVSTJZSA-N 444.959 4.885 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3nc(C4CCCCC4)cs3)ccc2c1=O 1171508275 KMLAYEDXXSGSMY-UHFFFAOYSA-N 426.567 4.628 30 10 IJEE C=CCn1c(SCN(C)C(=O)OCC(C)C)nc2sc3c(c2c1=O)CCCCC3 1187972067 GFMKGARJIGFADS-UHFFFAOYSA-N 435.615 4.687 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1nc2cccc(Br)c2[nH]1 1203645150 IBPNWKNKJRNBMC-UHFFFAOYSA-N 435.119 4.712 30 10 IJEE C=C(Cl)C[C@H](N[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OCC 1207129789 RUMFTSIRTUZEQZ-NHYWBVRUSA-N 441.277 4.740 30 10 IJEE CN(CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)OCc1ccccc1 1264934181 BGKGTOOHVZYFTE-UHFFFAOYSA-N 443.503 4.734 30 10 IJEE CC(C)(C)c1cc(NC(=O)Cc2coc(-c3ccccc3)n2)n(-c2ccc(C#N)cc2)n1 1272252905 HEFUANBXNJNLDU-UHFFFAOYSA-N 425.492 4.878 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CC(CC)(CC)SC 1286432658 SJPQOADDVZQRCR-UHFFFAOYSA-N 433.625 4.666 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1C1CC1 1286452775 LANKDJJQIKLLEM-FQEVSTJZSA-N 444.048 4.700 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CCSCC 1286552286 PKOXNOMUSVQIFT-BWAGFHJFSA-N 439.629 4.766 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(C)c1 1286603488 FHHNZZXERZQXJV-UHFFFAOYSA-N 441.963 4.540 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(N(C)C)CCC2)CC1 1286641181 SZKAPLNAMPVTMY-UHFFFAOYSA-N 444.421 4.657 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2scnc2C)CC1 1286657171 UYBRNBFUZNTDNH-QGZVFWFLSA-N 441.576 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286666196 CYDXDIVBTISTQT-OAQYLSRUSA-N 434.588 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286668388 QPDYNBXSVKXEGG-AVRDEDQJSA-N 434.588 4.799 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)C(C)C)C1CC1 1286735016 KTGRDWRUUFJXGE-AWEZNQCLSA-N 425.396 4.595 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC(Cn3cc(C)cn3)CC2)cc1 1286795742 FCPXXWLMSSTTNY-UHFFFAOYSA-N 448.615 4.511 30 10 IJEE C[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)N1CCCCC1 1288559735 CHMQUZXRZRKQKY-NHCUHLMSSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCN(C)C1CCCCC1 1300291049 AWIWGXKOSNCRMB-HXUWFJFHSA-N 430.600 4.606 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OC2CCCC2)nc1 1300475839 AFJUAOWRVXWYPY-UHFFFAOYSA-N 447.608 4.713 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(SCC)c1 1300609599 SIYUPJHOPGMXJA-UHFFFAOYSA-N 429.952 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1300815999 FKXLXDWULWAOLM-KUWBRRTOSA-N 442.991 4.564 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)CCCCc1ccccc1 1300853283 MIRTUAFXGLNPEL-UHFFFAOYSA-N 440.389 4.632 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ncccc2F)CC1 1301112328 QYKNIWBYRCXGTD-UHFFFAOYSA-N 427.911 4.614 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOCC2CCOCC2)CC1 1301114545 UCSIDCKCBJOHNJ-UHFFFAOYSA-N 445.007 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2ccco2)N(C)C)CC1 1301119748 UYZQQHSUBHYADR-HXUWFJFHSA-N 425.964 4.897 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cnn(CC)c2)CC1 1301135184 UVZSAHNYQSBZAO-UHFFFAOYSA-N 448.615 4.956 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1301135531 LRFADGLNHPSEMI-UHFFFAOYSA-N 443.542 4.564 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1301135800 SFGMGTWQCLCESD-LJQANCHMSA-N 448.514 4.580 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2CC1 1301202703 OIIOBDLEXLJPCN-UHFFFAOYSA-N 440.389 4.618 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1301214488 APYUGSMCIVTJDF-LJQANCHMSA-N 442.361 4.580 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)N(C)C1CC1 1301280825 WYZZXSNXAJGMGX-INIZCTEOSA-N 425.577 4.918 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCC(F)(F)CC1 1301309548 FEVNUYVZFHFAPN-KRWDZBQOSA-N 439.551 4.798 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(C=C)cc1 1301355045 OROSCJXVDVJVOL-UHFFFAOYSA-N 447.608 4.654 30 10 IJEE C=CCn1c(SC[C@@H]2CC[C@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CCCC3 1307260700 FDGYVQGRXCMCHO-SMDDNHRTSA-N 430.517 4.725 30 10 IJEE C[C@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 1307311147 HLDZYEIZPCKKNP-JTQLQIEISA-N 448.875 4.624 30 10 IJEE Cc1cccc(CN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)Cc2ccccn2)c1 1307546260 HVQBSKZCGFLFDP-UHFFFAOYSA-N 426.564 4.956 30 10 IJEE Cc1nn(C)c(N2CCN(Cc3ccccc3Oc3ccc(F)c(Cl)c3)CC2)c1C#N 1308693261 AFFPFEQFTRULEX-UHFFFAOYSA-N 439.922 4.507 30 10 IJEE COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2cc(C#N)c(F)cc2F)cc1OC 1311137301 HFGLKBZICPNWON-QGZVFWFLSA-N 429.467 4.873 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)n1C 1350953885 PIRWYFYEILBPHJ-UHFFFAOYSA-N 438.325 4.623 30 10 IJEE CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1=O 1353071108 IDRJDNDVFQVAIR-FQEVSTJZSA-N 425.488 4.905 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2nc3ccccc3cc2C)c(C(=O)OCC)c1C 1357817166 LTJZSFVKRFRJMF-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1358881228 AZBAYIZNFMXSDY-DLBZAZTESA-N 432.515 4.636 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1358904319 BNEYFQJEMHQYCW-TZIWHRDSSA-N 440.563 4.614 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCc1ccc(Cl)s1 1358970499 PTOFGLPNEISPQW-UHFFFAOYSA-N 434.996 4.779 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1359061354 ZQYJBDRSQDSLSI-MOPGFXCFSA-N 445.032 4.893 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C1CC1 1359092599 CVGAXBDTNHKYDB-FXAWDEMLSA-N 445.405 4.986 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccoc1 1359102385 AUNPRAVHYSWXDB-XUZZJYLKSA-N 436.556 4.685 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(CC#N)CC1 1359102985 IFEDONCXCSLHQB-RDGATRHJSA-N 449.599 4.531 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CCc1cccs1 1359124059 DSQDGWBITUJRKE-UHFFFAOYSA-N 447.402 4.936 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccccc1F 1359129027 NVNYOHDGXDYNEJ-UHFFFAOYSA-N 429.927 4.752 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(F)cccc2OC(F)F)CC1 1359162136 FLLJRRVVOIYKEW-UHFFFAOYSA-N 449.864 4.939 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)cc(C)cc2C)CC1 1359180975 AFUAZLILYVRZFX-UHFFFAOYSA-N 449.624 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1359184549 SCXQPDRHGAFMSE-LJQANCHMSA-N 449.559 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CCSC 1359185728 GZVJHMLQXPPHBH-QGZVFWFLSA-N 430.618 4.896 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1c(C)noc1C 1359234617 VCRWXTNZUSCDOF-CYBMUJFWSA-N 430.350 4.738 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@H](F)C1 1359255286 UEFRPMLLAMLAIZ-YADHBBJMSA-N 435.547 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1359261229 AOPOXLNVTGSURF-WZONZLPQSA-N 430.618 4.558 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)Cc2csc(CC)n2)nnc1C(C)(C)C 1359311393 ZMKNVZZOSJPNTQ-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1c1ccco1 1359337860 DARWLFNYQHWKDS-FQEVSTJZSA-N 440.569 4.816 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359338011 IVBFKZSLGQPIOF-IBGZPJMESA-N 443.020 4.765 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(COc2ccccc2)CC1 1359342086 OTIYJFKOMKKNKV-JOCHJYFZSA-N 442.629 4.734 30 10 IJEE Cc1cc(N2C[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2=O)ccc1F 1435023703 HEHZTIHSCWIPSZ-FQEVSTJZSA-N 443.478 4.576 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)[C@@H](C#N)C1 1457526938 AHYOPAMQEFNOPD-FQEVSTJZSA-N 437.565 4.564 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc(OC)cc2Br)CCCN1C(=O)OC(C)(C)C 1458689148 RWXWHJBVTSOOMI-FQEVSTJZSA-N 440.334 4.709 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@]2(C)CCCc3ccccc32)n(Cc2ccccc2)c1C 1459812771 GVBQBKMIXPEJQL-MHZLTWQESA-N 426.564 4.805 30 10 IJEE Cc1ccc(CC(C)(C)NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 1460261563 AGKRORQNNCIHIX-UHFFFAOYSA-N 428.580 4.883 30 10 IJEE C#CC[C@@]1(C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CCCN1C(=O)OC(C)(C)C 1463989088 ZJHWQCRXFAWBHX-SANMLTNESA-N 436.552 4.600 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)CN(C(=O)OC(C)(C)C)C1 1464006253 XWOVPFARXVHCHP-FQEVSTJZSA-N 430.545 4.906 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1465781054 FRGNDEVFAJFRKT-INIZCTEOSA-N 441.503 4.745 30 10 IJEE C#CCCCCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1466030898 PSXZUTIDMTWFJC-UHFFFAOYSA-N 430.548 4.758 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(Cl)nc([C@H]2CCCO2)n1 1472736779 AFRJWMSCBCMBDD-MRXNPFEDSA-N 443.960 4.798 30 10 IJEE C=CCN(Cc1ccc([N+](=O)[O-])cc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1473383245 HYJCFMMARCEGGX-HXUWFJFHSA-N 447.329 4.520 30 10 IJEE Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1cn(CCC#N)nc1-c1ccncc1 1474170961 AURICWBHULYWHZ-IBGZPJMESA-N 442.567 4.651 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cn2)cc1C 1475978574 CHYNHUPRRPARNN-UHFFFAOYSA-N 445.498 4.856 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCCCc1ccc(Br)cc1OC 1478289567 CXTHGZCMJYQDLR-HXUWFJFHSA-N 431.374 4.877 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCCC[C@@H]2C)cc1 1492436340 HQLURUNAZIJQOS-RTWAWAEBSA-N 440.661 4.882 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C(C)C 1500855542 HXTLJNACVOXZKD-DEOSSOPVSA-N 437.613 4.744 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCCCC2)cn1 1501834125 IAEKSFGPXHXUAY-UHFFFAOYSA-N 443.599 4.875 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H](C(F)F)C1 1507574028 LEDPCOSDTZCCKO-ROUUACIJSA-N 432.515 4.712 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC=C)Cc1ccccc1 1507597124 VMWGHLKRHZJWSP-QFIPXVFZSA-N 449.599 4.956 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN1CCCC[C@H]1C 1507604962 OUHUJVMUGCESHC-LJQANCHMSA-N 448.640 4.711 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(Cl)c1C 1507607047 GWGPXBYUQPXNHB-UHFFFAOYSA-N 435.778 4.849 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCC[C@@H]1CC 1507710540 QFVPMIMEAICENO-FPOVZHCZSA-N 433.556 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCc1csc(C(C)C)n1 1507770507 UQJYESNXDLDYAE-RUZDIDTESA-N 449.624 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC1CCCCCC1 1507773111 ZLFORGGZLPRRDR-XLGIIRLISA-N 442.648 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)CCC 1507797578 SDNHNKDAIDEHLN-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)CN2CCCC2)CC1 1507895600 ASMRHGAVEUGTAV-WOJBJXKFSA-N 441.595 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507910819 CEJKMBIENWYNDF-NRFANRHFSA-N 435.616 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](COc2ccccc2)C1 1507914581 LHPXYSKXTJANLD-QFIPXVFZSA-N 447.583 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](COC)C1 1507919381 OCGXGXYWSGXTSN-SFHVURJKSA-N 432.996 4.976 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCN(C)c1ccccc1 1507970483 JMCWULORSXJFNN-UHFFFAOYSA-N 443.393 4.575 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1C[C@H]1c1ccccc1 1507987142 QVVFEAVZYGBSEU-ACRUOGEOSA-N 437.588 4.776 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC(F)(F)Br 1508004580 NCQVLRWNBIBENL-MRXNPFEDSA-N 441.320 4.700 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCC(C)(C)C)C1 1508118813 TYZLXXVPASQRAC-IBGZPJMESA-N 428.577 4.570 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1cccnc1Oc1cccc(F)c1 1508552177 FSYCGDSXDJHAKQ-UHFFFAOYSA-N 448.546 4.981 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)CC#N 1509096025 DNEYDMARTWAZOO-RFWXGWTQSA-N 448.571 4.790 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1F)C1CCCC1 1509368717 CAWCDXCUOABTFV-UHFFFAOYSA-N 448.546 4.835 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)CCCN1C(=O)OC(C)(C)C 1521895612 JQUWWHXLHSTQFC-OFVILXPXSA-N 429.605 4.532 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)c1ccc(Br)cc1 1528087909 IZPUUMOVTQIWBS-SJORKVTESA-N 426.232 4.646 30 10 IJEE C#CCN(C(=O)C1(Cc2ccc(F)cc2)CC1)[C@H]1CCOc2ccc(Br)cc21 1529627327 MYIUBXWKBIAYMC-FQEVSTJZSA-N 442.328 4.897 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cc1csc(-c2ccc(C)cc2)n1 1531612849 NEEHTEAZOGAZAS-UHFFFAOYSA-N 437.517 4.790 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C 1533271829 LJDHFJWAQOJPJF-DYESRHJHSA-N 432.486 4.911 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)cc1C#N 1533753131 ASVUUVWFIRLOJQ-HNNXBMFYSA-N 442.313 4.563 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1537130470 FSLLLKGXFGGMNC-UHFFFAOYSA-N 437.462 4.790 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCSC1 1538986886 OXSHGHRBODXQHN-RTBURBONSA-N 436.581 4.718 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1539155511 WQOASNRJJDAJPX-HKUYNNGSSA-N 445.405 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(SC)CCOCC1 1539677822 JJHDBLNTZBFZJZ-RTBURBONSA-N 436.666 4.511 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1539787603 PRRPOPRDXYPGCY-IERDGZPVSA-N 448.995 4.746 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC1CC(F)(F)C1 1539788208 ZZLPIOPTRKVCEE-UHFFFAOYSA-N 426.895 4.586 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccc(OC)c2)CC1 1539896375 NLPZRJMOZPAJDY-DHIUTWEWSA-N 438.616 4.850 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC1(c2ccccn2)CCC1 1540193749 CHMYBHBDUJCRIA-UHFFFAOYSA-N 437.975 4.754 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 1543239913 LTPWGGDWEDRPET-QGZVFWFLSA-N 430.467 4.793 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2O)cc1 1543921077 IJSZFEGVSHWMCN-UHFFFAOYSA-N 444.535 4.768 30 10 IJEE CCn1c(SCC(=O)N2CCCc3cc(C#N)ccc32)nnc1-c1ccc(Cl)cc1 1544125708 AQVRSNYYYYENHV-UHFFFAOYSA-N 437.956 4.562 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(OC)cc1)c1ccc(Br)cc1 1556781280 BLNKPIBEWHSSPL-QFIPXVFZSA-N 448.316 4.793 30 10 IJEE C#CCN(C(=O)NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCCc2ccccc21 1563576208 FWTJSEMDDOMLSI-JOCHJYFZSA-N 430.470 4.988 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1563678823 VSSCKUGPMVPCJL-BGYRXZFFSA-N 441.547 4.659 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](C)C[C@@H]3c3ccc(CC)o3)ccc2c1=O 1566092108 VXPZPBJAHPHTIX-MGPUTAFESA-N 437.565 4.640 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2csc(-c3ccccc3)n2)CCCN1C(=O)OC(C)(C)C 1566380246 KPRKDUBMAZFSRL-DEOSSOPVSA-N 441.597 4.815 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCS[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 1586670908 OYNCQIWJDUGQFM-ABAIWWIYSA-N 443.425 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@@](C)(CC)O1 1587575596 YRBCGLMEVSHRBW-WDUKFBBWSA-N 449.368 4.652 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(Br)cc1 1587869628 PRKMSGXYZWXFNC-UHFFFAOYSA-N 429.387 4.743 30 10 IJEE C=CCCC(C)(C)NC(=O)c1c(I)ccc(Br)c1F 1588040330 PDNDZBGNSBLHSM-UHFFFAOYSA-N 440.094 4.667 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCc1ccccc1C(F)(F)F 1588245776 QLONRDFMMJRFGT-UHFFFAOYSA-N 428.502 4.735 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC1(CCOC)CCCC1 1588560113 NDGGGFVDQDOYMQ-JOCHJYFZSA-N 440.563 4.505 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)CCOCC 1589495924 UVKSCVNNRWZEQJ-HYBUGGRVSA-N 449.599 4.646 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1594122688 VAKXXSLHZPZREQ-VWLOTQADSA-N 426.605 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCCO)CC1 1594208880 OQYZMAYTDASSMC-UHFFFAOYSA-N 433.394 4.581 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)Cc1ccc(OC)cc1 1594885749 OCDFVWJWDILZDJ-OAHLLOKOSA-N 444.377 4.545 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NC1CCCCC1)C1CC1 1595038151 QYVYBCPTNQXYQL-UHFFFAOYSA-N 448.398 4.856 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CCc1ccsc1 1595075914 OCRSFPOMVVADMJ-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccsc1 1595244136 SMNQLGAXFIXLMH-UHFFFAOYSA-N 435.509 4.791 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)Cc1cc(Cl)ccn1 1595648490 DGGOJOWDJVFILC-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)F)c2ncccc12 1597260080 WNFWNPBBCWBIRE-CQSZACIVSA-N 441.862 4.811 30 10 IJEE COC(=O)c1ccc(N(C)Cc2cc(C)c(OCc3ccc(C)cc3)c(C)c2)c(C#N)n1 1611979493 DBJCDQYXPZOLTA-UHFFFAOYSA-N 429.520 4.881 30 10 IJEE N#Cc1ccccc1Nc1nc(Nc2ccccc2C#N)nc(Nc2ccccc2C#N)n1 1615949898 IUSFNHSJJLNWFW-UHFFFAOYSA-N 429.447 4.717 30 10 IJEE C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 1618114009 FCQCKADMFIZMQG-ORAYPTAESA-N 437.849 4.631 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3cccc4ccccc34)CC2)c1 1626936229 XQCVBRXDHNWFOM-UHFFFAOYSA-N 431.557 4.657 30 10 IJEE C=CC1(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CN(C(=O)OC(C)(C)C)C1 1630094976 FNJHJAAFRPDSNO-UHFFFAOYSA-N 447.535 4.889 30 10 IJEE C=CC1(CC(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1635066173 JHHIGHJHHYFZHO-NRFANRHFSA-N 440.584 4.844 30 10 IJEE CCN(CC(=O)Nc1cccc(CC#N)c1)C(=O)OCC1c2ccccc2-c2ccccc21 1635702803 CYJAJRTWZQQQSX-UHFFFAOYSA-N 439.515 4.962 30 10 IJEE C#CCOCCN(C)C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1637864798 NMYDLFXTKQAZRY-UHFFFAOYSA-N 434.348 4.629 30 10 IJEE C#CCN(C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)C1CSC1 1640233700 KEMKBPMAIYRRCS-UHFFFAOYSA-N 430.360 4.587 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2CCCC[C@H]2C)C(C)C)nc2sc3c(c2c1=O)CCC3 1640683598 HFFXNQXEJQSMIR-DNVCBOLYSA-N 445.654 4.650 30 10 IJEE C=CCn1c(Sc2cc(C(F)(F)F)c(C(=O)OC)cn2)nnc1-c1ccccc1C 1642397578 FZCBPPFDOHOYHL-UHFFFAOYSA-N 434.443 4.791 30 10 IJEE C=CCN(CCc1ccccc1)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 1644482726 LEFRJQIRUPZGHJ-SFHVURJKSA-N 440.609 4.861 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)Cc2ccc(F)c(Cl)c2)n(Cc2ccccc2)c1C 1645277802 AJNHBHNVUXSCIE-UHFFFAOYSA-N 438.934 4.888 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 1646501118 YCVXIKYJIKAACV-SNVBAGLBSA-N 438.759 4.749 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC(F)F 1648763435 KJUOCKGWHDJQBW-OAQYLSRUSA-N 428.479 4.631 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cc1Cl 1657133633 MCLMUKSXWMWERT-LJQANCHMSA-N 449.776 4.871 30 10 IJEE CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1658735877 FNKCIIWUNBXZQZ-RUZDIDTESA-N 430.508 4.941 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCCN(CC)CC)cc1)c1ccc(Br)cc1 1659099090 VZRAGLDFDHDDEY-OAQYLSRUSA-N 444.373 4.666 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC(c2ccccc2)c2ccccc2)n1 1660672455 HQSLKSAQZBDEHG-UHFFFAOYSA-N 425.467 4.837 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1ccc(C)c(F)c1 1661281755 FHRHQFIJQZVZKN-UHFFFAOYSA-N 430.314 4.554 30 10 IJEE C=CCOc1c(Br)cc(CNCCOc2ccc(F)c(Cl)c2)cc1OC 1662492008 FVKHHUMOBYPNOW-UHFFFAOYSA-N 444.728 4.984 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 1662729906 ANQBMUQRDUEMDP-AWEZNQCLSA-N 442.768 4.812 30 10 IJEE C#C[C@@H](NC1CCN(C(=O)c2ccc(Br)cc2C)CC1)c1ccc(Cl)cc1 1664896639 MIMMJLQMDYKKLY-OAQYLSRUSA-N 445.788 4.980 30 10 IJEE C#C[C@H](NC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C)c1ccc(F)cc1 1668447913 OPPPWKXFUOZILM-SFHVURJKSA-N 441.304 4.793 30 10 IJEE Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2)c(C)o1 1670536498 GTQGVZLKYOJELI-UHFFFAOYSA-N 444.491 4.550 30 10 IJEE C#CC[C@@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)c1ccccc1 1670721575 DKPSNGHWDPHYTH-JOCHJYFZSA-N 427.589 4.868 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccn(-c2ccccc2Cl)n1)c1ccc(Br)cc1 1675391254 SBOASUUEEKFVPQ-MRXNPFEDSA-N 429.705 4.784 30 10 IJEE C=CCCCNC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 1682055617 YZQBYIQSBWSZAX-SFHVURJKSA-N 427.408 4.701 30 10 IJEE C#C[C@H](NC(=O)N1CC(Cc2c(F)cccc2Cl)C1)c1ccc(Br)cc1 1682356381 GCSRWLWOFPRENA-IBGZPJMESA-N 435.724 4.800 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)C1CCOCC1 1684037356 XQQPDBMIBKWYSV-QFIPXVFZSA-N 441.369 4.589 30 10 IJEE C=CC[C@H](NC(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccncc1 1684647868 AJOQOQYSSBIFSR-CYFREDJKSA-N 430.593 4.671 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)NCCc1ccc(C#N)cc1 1687039298 BBRWSGXAZUHHIQ-QFIPXVFZSA-N 444.501 4.820 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC(F)F 1689881479 RKCQXAMKGKBMIU-UHFFFAOYSA-N 441.320 4.611 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1689954288 RWSJCBRZKUNHBC-ZFWWWQNUSA-N 426.870 4.970 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1690037562 XWEKKVBQFQENGY-WOJBJXKFSA-N 425.458 4.573 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC[C@@H](OC)C(F)(F)F 1690196072 XDQVAJVGAHNEJR-VQIMIIECSA-N 426.870 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CC1 1690204452 KXUVKJKJDMSTFT-YADARESESA-N 441.620 4.575 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1690316161 YQFJRSBFCFVITP-UHFFFAOYSA-N 448.558 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCSC1 1690420012 IHGHZUDXTOEBLJ-KRWDZBQOSA-N 446.617 4.515 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1690457476 XCBQHGOXYQACFH-UHFFFAOYSA-N 435.616 4.776 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OC(C)(C)C)CC1 1690476512 FWGGQKCJQYGKLQ-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1690532000 FQXOZOXPHUXIGG-MRXNPFEDSA-N 437.613 4.726 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1(CC)CCC1 1690613330 CYFKLXVFFDDYII-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C 1690737865 ZXUAAEWLASDUSN-QZTJIDSGSA-N 430.618 4.896 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1Cc1coc(-c2cccs2)n1 1692662074 GNNRQPISNUHQHY-OAHLLOKOSA-N 436.516 4.511 30 10 IJEE CSC1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 1698368895 DZYCYFVBBQRINQ-KRWDZBQOSA-N 427.618 4.646 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN1C1CCCCC1 1705547131 UTWXVZJZSIGVNW-IBGZPJMESA-N 429.971 4.604 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705592750 SLOQQPHVTHVFML-LJQANCHMSA-N 443.620 4.600 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C)CCC1 1705600737 KXUGXCZIIAYEMG-UHFFFAOYSA-N 439.003 4.905 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N(C)Cc1ccc(Br)s1 1705656650 DWEBZDVNCQRUHK-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1705726987 VELPOPNTDDYIOB-REWPJTCUSA-N 435.641 4.996 30 10 IJEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCOC2(CCCCCC2)C1 1705758684 DBSUIPLOPFFASL-UHFFFAOYSA-N 430.980 4.848 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705783690 PYMXLXGLINNZFF-LJQANCHMSA-N 445.633 4.636 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(C(=O)N(C)C)CCCC1 1705837256 VWCBUBZLVUUWPJ-UHFFFAOYSA-N 441.645 4.546 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCC2)nc1 1705862948 BGZUSURMISLQTP-UHFFFAOYSA-N 448.590 4.951 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1705940930 UBPVXUXXAJPVKN-FQEVSTJZSA-N 432.037 4.582 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705948859 HIZSQCVXNYNVMW-VQTJNVASSA-N 445.702 4.717 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN1CCCC1 1706734156 HHHSBFRSPYIARW-LJQANCHMSA-N 432.572 4.729 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(C)(F)F 1722419934 CRFCKKWDAHVMMF-UHFFFAOYSA-N 438.931 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CC12CCOCC2 1722502350 UBHDRYNIVWPAMJ-RBUKOAKNSA-N 428.552 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCc2cccnc21 1722506629 VGWJCOQWCHMYDK-HXUWFJFHSA-N 447.583 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722512036 UYYGLASNJAMLKI-JPYJTQIMSA-N 431.028 4.906 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722512986 OZIORKSVUBZXJT-KRWDZBQOSA-N 431.556 4.742 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2SC)CC1 1722578959 DPYZPBFEYBUVCM-UHFFFAOYSA-N 436.629 4.621 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCc2cccc(C)n2)CC1 1722581307 BJBOLWUKCOMYSG-UHFFFAOYSA-N 431.584 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722588223 NGRQHAWTYXQQKR-UHFFFAOYSA-N 433.000 4.570 30 10 IJEE C=CCCCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722623021 PLAGFAKZZJPKKD-QRVBRYPASA-N 431.625 4.887 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722625751 WYCVEGZUEPAERW-OAQYLSRUSA-N 448.596 4.558 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1722626032 GRUZVMAEAKCHDO-FQEVSTJZSA-N 437.613 4.941 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1722687990 ASQWSJMZPSCBBA-QFIPXVFZSA-N 437.632 4.787 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1SCCc2ccccc21 1723390030 ATZLIRYHZWVJPZ-IRLDBZIGSA-N 439.629 4.579 30 10 IJEE CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1CC1CCC(C(F)(F)F)CC1 1728980846 FOQVIOVVPQGEHS-UHFFFAOYSA-N 435.494 4.691 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@](C)(O)C1CCCCC1 1740558550 GISKMBAFMMGQJA-NTKDMRAZSA-N 426.630 4.668 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1740579488 STODCQBWWPEYHE-RBUKOAKNSA-N 431.625 4.509 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 1740585032 NJPKXTLBEGCOIK-LJQANCHMSA-N 440.563 4.899 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CC[C@@](C)(CC)O1 1740633284 CFLGZONTWSWFHF-CJFMBICVSA-N 436.625 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1740731952 MOHWGTXJCVEQSQ-JOCHJYFZSA-N 445.398 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1740761111 UJMVNVKRSYRFDR-BTDSVWAKSA-N 442.579 4.563 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1740848391 JRMIAJCDNBFXIR-UYAOXDASSA-N 430.980 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(F)F)C1 1740852327 LPRIJARNSNZLIP-KRWDZBQOSA-N 434.531 4.950 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC[C@@H]1C 1740871311 AJYGENHIGMTYPC-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1740901063 BRLNWPWKRUKLFM-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCSCC(F)(F)F 1740918273 NDPFYBPXKHOQPG-SFHVURJKSA-N 440.535 4.660 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCCN(C(C)(C)C)CC1)C(C)C 1740927095 QSDCEACEWGIAMA-HSZRJFAPSA-N 442.696 4.555 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCS[C@@H](CC)C2)cc1 1740967773 PYZLXLHRZRYNBY-QFIPXVFZSA-N 426.630 4.956 30 10 IJEE CC(C)N(CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1741617631 FJRFYBMEJHTSDF-QHCPKHFHSA-N 447.002 4.986 30 10 IJEE Cc1ccccc1C1(Cn2c(N(CCC#N)CC3CC3)nnc2C(C)(C)C)CCOCC1 1742374359 COZFCMHIVZNYDK-UHFFFAOYSA-N 435.616 4.763 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C1CCCCC1 1748650740 DAMCMKLFJRZJFD-IBGZPJMESA-N 439.673 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1748869066 SIHULQZSIJNITF-CJFMBICVSA-N 438.019 4.572 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1749343977 WZTPBNCARSHRRJ-RUZDIDTESA-N 426.580 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1749369052 WXNXQBRMAMDSFR-UHFFFAOYSA-N 437.632 4.663 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1749467059 DYTLGWUHWODCFE-RZDIXWSQSA-N 444.352 4.926 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1749473385 GYQDEWUNDCDNIM-INIZCTEOSA-N 425.533 4.569 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1c(C)nc2ccccc21 1749506680 LUQTYHCTQRJAFQ-DENIHFKCSA-N 436.604 4.567 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccco1 1749537138 AAPGUXDNSPQSBA-DEOSSOPVSA-N 434.565 4.624 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCn1cc(Cl)cn1 1749540949 HKHVRSPDXNJDGR-UHFFFAOYSA-N 440.910 4.728 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](C[C@H]3CCOC3)C2)cc1 1749685472 GOZKXEHLVMKRJS-DHIUTWEWSA-N 438.616 4.733 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 1749710702 ZXTVOAOEVBVLFO-RPWUZVMVSA-N 437.632 4.582 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1751082003 GJAWFLQTRDNLGW-SFHVURJKSA-N 426.524 4.980 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CC1CC1)C1CCC1 1760129921 ATCYLGIIJKJUFD-UHFFFAOYSA-N 430.394 4.619 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1760286012 YTZBZLQUGJZPDH-NNWRFLSQSA-N 438.641 4.801 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)cc1F 1760333190 BMBCPDGTENQOAH-PGRDOPGGSA-N 439.510 4.544 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC2(CCCCC2)C1 1760353911 JJRIFOKPJDHUPA-UHFFFAOYSA-N 430.980 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760410719 ONFFBSKKUODQBB-JOCHJYFZSA-N 433.556 4.529 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760422755 QWWWFYCARRIYBF-SFHVURJKSA-N 429.996 4.648 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760441717 RVAMTLWNGSYUNQ-GHTZIAJQSA-N 435.399 4.864 30 10 IJEE C=CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C(F)(F)F)cc1C)C1CC1 1760474940 NOUVFIBUISBOKR-UHFFFAOYSA-N 427.474 4.794 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1Cc1ncc(CC)s1 1760479790 ARGUTXQFNPTJCU-OAQYLSRUSA-N 448.596 4.651 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OCc2ccccc2)C1 1760508237 PFPQBHHATKXPQL-INIZCTEOSA-N 445.386 4.751 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](C)C(=O)OC(C)C)c1 1858738325 TVYITKQYFUWUIY-QGZVFWFLSA-N 425.529 4.890 30 10 IJEE N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)sc2c1CCCC2 1859478788 YHVYICILIPKQTO-UHFFFAOYSA-N 445.475 4.691 30 10 IJEE N#Cc1ccccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 1860858590 VGXSPLQRLSRAOD-UHFFFAOYSA-N 434.839 4.553 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860928493 DESNBCPBVFGXJZ-SFHVURJKSA-N 430.568 4.601 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCCN(C)C)cc1 1862489378 VFNIUTBHZSIJQC-DEOSSOPVSA-N 434.580 4.786 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862506703 UKSZSYAXGUQRGV-HXUWFJFHSA-N 426.444 4.811 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862559693 UUOYAWZMJGARIY-XMMPIXPASA-N 445.563 4.804 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1cccc(O)c1)c1cccc(O)c1 1862589065 CZAILFIHEHKHRZ-OAQYLSRUSA-N 435.863 4.530 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cccs1 1864480103 SHOXMOIRUAZIOW-LJQANCHMSA-N 430.618 4.742 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2cccc(C)c2C)cc1=O 1870813837 GKLXCSSCOJMVRJ-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870886334 CDPMNQKLSPZRKD-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(Cc2ccccc2F)CO1 1871347077 WQSWYDUAFJYCMU-RMORIDSASA-N 431.419 4.523 30 10 IJEE O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(C[C@H](O)c2ccc(Cl)cc2)CO1 1871352980 KAAJIVXYSFFORY-GIJPEOLDSA-N 439.920 4.903 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1OC 1871367438 LIKXOWWZSZWWON-IWIPYMOSSA-N 430.456 4.858 30 10 IJEE CCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871418866 ROPQHGSYNLQFRC-KSEXSDGBSA-N 435.476 4.618 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872022879 QSVZRJFRSXWKMR-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1cccs1 1872489326 WXUOCHXMHCKGRI-IBGZPJMESA-N 441.018 4.940 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(C)cc3O)cc2[nH]1 1872805616 ZRZAXFXWCWXBCG-UHFFFAOYSA-N 429.476 4.973 30 10 IJEE C=CCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873094342 WUOKJVQVZKUHCN-UHFFFAOYSA-N 440.330 4.573 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccccc1C)n2Cc1ccco1 1873661848 FIJHERHSPVTLSU-UHFFFAOYSA-N 427.508 4.812 30 10 IJEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874281821 BNRCUFLKBBBEQI-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)cc1OC 1874331560 SHHDGHKDLSNDGK-PCLIKHOPSA-N 436.581 4.858 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 1874417064 WFYARRJVWJYZRX-NLRVBDNBSA-N 442.544 4.784 30 10 IJEE CC(=O)NCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(C)c1 1874434375 BOIQNXXJTWIMJK-YSURURNPSA-N 448.379 4.704 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2Cl)cc1 1874448181 VPBIETPHKNAXHV-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)ccc1O 1874456055 YJPOBDYERYHLPY-HZHRSRAPSA-N 437.525 4.767 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc1C1CCCC1 1874456723 HBHWTKZEOXSRMG-LPYMAVHISA-N 431.631 4.729 30 10 IJEE CCCCc1nnc(SCCO)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874481364 YJSBCZDMNRZXNX-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE COc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(C)(C)C 1874482463 DOJCVFMNFUNLIK-LPYMAVHISA-N 425.514 4.667 30 10 IJEE COc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)c1O 1874523083 UXFCWSOQIBJZOM-AUEPDCJTSA-N 432.908 4.837 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)cc1)c1ccccc1 1874523416 PHBVYTXDHQRUPU-MMTYYTLLSA-N 439.972 4.661 30 10 IJEE CCc1ccc(NC(=O)CSc2nncn2/N=C/c2c(OC)ccc3ccccc23)cc1 1874536737 SFVZTOKQDOVFHB-VULFUBBASA-N 445.548 4.615 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2C)c1 1874580753 DZSDEXVRQMSKCA-WYMLVPIESA-N 431.488 4.926 30 10 IJEE O=C(COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1)Nc1ccccc1F 1874596954 MMNULSYSBMXTFX-CSKARUKUSA-N 433.435 4.511 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874696482 DEIRRTUQBLRUBB-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccncc1 1875082965 WLUQZSIAGJFSNI-AATRIKPKSA-N 438.823 4.767 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)[C@H]1CCCO1 1875111161 WWACCOAUVHKKIZ-XGHQVWIYSA-N 445.309 4.828 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1875113832 AFRNTUIHGVROTQ-NTUHNPAUSA-N 431.444 4.956 30 10 IJEE Cc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c1C 1875147450 YXVATESHYFQDCM-XYOKQWHBSA-N 444.483 4.955 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)CC1 1890232376 RHRKKVGNBWSXJO-UHFFFAOYSA-N 443.347 4.674 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2c(Br)cccc2C#N)C(F)(F)CC1 1965667613 IZZNMQNTWSQISC-AWEZNQCLSA-N 430.293 4.767 30 10 IJEE CCN[C@H](CC#CC1CC1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2029724501 LWELEVSASHFWNO-XMMPIXPASA-N 439.644 4.718 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NC 2047970657 MBVUBWZTPYSRMC-SJORKVTESA-N 429.786 4.540 30 10 IJEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)c(O)c1 2079047780 PBFPEPHOKWKMMN-AWEZNQCLSA-N 445.251 4.947 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079857205 YPDBCPAKCTVUDY-KRWDZBQOSA-N 447.320 4.809 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCN(Cc2ccccc2)CC12CCC2 2098701218 FLHWRJRBEFSQIP-XRKRLSELSA-N 448.651 4.935 30 10 IJEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(Oc2ccc(OCc3ccccc3)cc2)n1 2115997678 FZKFAQDIJSUJQO-UHFFFAOYSA-N 432.329 4.764 30 10 IJEE C[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2118198924 MFMRMRYWAFNXCH-TZMCWYRMSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2124519741 MOUKQIRBOPFKHQ-SFHVURJKSA-N 444.381 4.661 30 10 IJEE N#Cc1cc(Br)cnc1N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2163326215 MFFSOANLPSOJMT-JOCHJYFZSA-N 425.374 4.598 30 10 IJEE C[C@@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180963357 OFSJMNFBLVVDDV-XCLFUZPHSA-N 436.350 4.733 30 10 IJEE Cc1sc(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c(C)c1Br 2234512582 MVIITZMLCPIFLM-DJJJIMSYSA-N 440.212 4.826 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2235719502 FXYBUAKZNBSVCS-IEBWSBKVSA-N 435.406 4.672 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255783016 JOAXLRCCDOZKAL-UHFFFAOYSA-N 425.353 4.813 30 10 IJEE C[C@H](COCc1ccccc1)COCc1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2259021692 JBNIPCOPIIGOHQ-QGZVFWFLSA-N 432.316 4.634 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267187269 VUHFNGPDYNJKPU-SFHVURJKSA-N 442.365 4.764 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)c2C1 2267497746 FNBNTQDFDMSXHC-UHFFFAOYSA-N 442.365 4.545 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3cccc(Cl)c3Br)CC2)OC1(C)C 2267976290 UJNYOZUSUZCUBZ-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE C=CCC1(COc2ncc(Br)c(C)n2)CCN(C(=O)OC(C)(C)C)CC1 2272147895 GJEISBZHNZGCPU-UHFFFAOYSA-N 426.355 4.520 30 10 IJEE C=CCCC1([C@H](Cc2ccc(Br)cc2F)NC)CN(C(=O)OC(C)(C)C)C1 2281042140 PCEDZPQEMKPNAP-SFHVURJKSA-N 441.385 4.922 30 10 IJEE C[Si](C)(C)C#CC[C@@H](OCCCN)c1cc(Br)c(Br)s1 2294486649 ZXWKWVWFALMGAF-GFCCVEGCSA-N 439.289 4.951 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296224979 PSNNPXVFNVRVPW-QRQLOZEOSA-N 435.406 4.718 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@@H](O)C#Cc2ccc(Br)cc2)cn1 2296288087 CBTKLTWQBMJBGC-SFHVURJKSA-N 431.330 4.691 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@@H](N)C#Cc2ccc(Br)cc2)C1 2296305227 QSGFOPBLJALHBE-LQBOVUBWSA-N 433.390 4.555 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2296311463 XGKPTDVXOBKATO-ZCNNSNEGSA-N 435.406 4.670 30 10 IJEE CCN1C=C(C(=O)C=Cc2ccc(Br)cc2)[C@@H](c2ccc(OC)cc2)NC1=O 2296615759 UFASMALKCXKATE-OAQYLSRUSA-N 441.325 4.710 30 10 IJEE C=C(CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)B1OC(C)(C)C(C)(C)O1 2299427156 KLZKJJPZSSFQGQ-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc(OCCC(C)C)c1 2314478433 TWDNJSWZTDSQSJ-RUZDIDTESA-N 449.547 4.736 30 10 IJEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2317338438 OKDRNDOHWMWUDN-PKTZIBPZSA-N 440.628 4.858 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(CCOC(C)C)CO2 2322015337 CGWFDHLDOGFIFL-UHFFFAOYSA-N 432.520 4.680 30 10 IJEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323556847 XXSNDMWWPBYCKN-UHFFFAOYSA-N 437.455 4.785 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(OC)c1)C2=O 2324090967 BGTXDAJBCXKCJA-UHFFFAOYSA-N 444.531 4.785 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCC(=O)C(C)(C)C)cc(C)c2C1=O 2324926334 YZONMKNQTBQFAA-UHFFFAOYSA-N 440.492 4.631 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2325382957 POYJFNKPVWKZNZ-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(O)c1 2326589586 WPQYPMLBAAWJNL-UHFFFAOYSA-N 432.549 4.925 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(OC)c1 2326619592 PQMOOQKDLAHAEU-UHFFFAOYSA-N 431.359 4.786 30 10 IJEE COc1cc(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SC)cc(Cl)c1O 2327153447 LVUSTEFJAFUSQA-UHFFFAOYSA-N 446.960 4.570 30 10 IJEE CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc(Br)c1 2327410538 DWPRHOBBLVJICH-UHFFFAOYSA-N 439.285 4.502 30 10 IJEE CCOc1c(C=Nn2c(COc3cccc(C)c3C)nnc2SCC)cccc1OC 2328841272 UFOPQNZZTCFFJI-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)C=Cc2cccc(OC(C)C)c2)cc1 2328886028 ZDTSVDFOCMUEBY-UHFFFAOYSA-N 434.536 4.976 30 10 IJEE COc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)c1 2330288117 HKLLQOSJMQMANH-UHFFFAOYSA-N 444.601 4.583 30 10 IJEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)ccc1O 2330586489 JEUURUXDVFDUAP-UHFFFAOYSA-N 436.562 4.938 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2330793254 WLGHAKIWRYWEDG-UHFFFAOYSA-N 437.404 4.710 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COC)c(OC)c2)cc1OCCC 2331115422 MOUGOUWBQRVTSI-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C(=O)O)cc2)c1 2331138453 QKRRXLCJOUGCOV-UHFFFAOYSA-N 434.443 4.786 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(SCCO)nnc2C(C)(C)C)cc1OC 2331414535 NQODCWAWRNAGQZ-UHFFFAOYSA-N 434.606 4.510 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(F)cc1F 2331443552 RJQNGCRFSYEZAI-UHFFFAOYSA-N 443.523 4.676 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(F)c2)cc1C 2331676015 XLJMXDMWOAJRPO-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339544859 MJIPZHAINOZTDI-QHCPKHFHSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575231 TXGQTGOICSTGMH-JKIKYLSZSA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@H](N)C#Cc2ccc(Br)cc2)C1(C)C 2370133085 MHGKOZRGKPCSGJ-QXAKKESOSA-N 435.406 4.848 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccc(F)cc1 24014810 XKLYUXIDSRHBDI-HNNXBMFYSA-N 440.569 4.890 30 10 IJEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)c(OC)c1 41645659 WBTIFLNLBUVLPL-MSXFZWOLSA-N 443.499 4.981 30 10 IJEE COc1ccc(C(=O)/N=C(\NCc2cccnc2)Nc2ccc(C(C)C)cc2)cc1OC 46127718 XPTKGYSJKQHENE-UHFFFAOYSA-N 432.524 4.620 30 10 IJEE COc1cc(/C=C\C(=O)c2cccc(-n3cnnn3)c2)ccc1OCc1ccc(Cl)cc1 96759143 MZQZSOHFCXKUHH-XFFZJAGNSA-N 446.894 4.799 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCn2ccc3ccccc32)c(C(=O)OCC)c1C 96768943 JJUZZMSFMUMAAH-UHFFFAOYSA-N 440.521 4.560 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N[C@H](C#N)c1ccc(F)cc1F 111219715 BCCUKCYYOSCBNX-CSHXORCISA-N 430.817 4.646 30 10 IJEE CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](CO)COP(=O)(O)O 146998995 OTPODXRPJGBQEK-XTXLJPNXSA-N 435.542 4.610 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccc(C)c2)cc1 169966938 AZSSSCXZWQJOKL-XMMPIXPASA-N 442.515 4.853 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2F)c1 170069342 GBULCJKWJKWWEW-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)c1 170113416 WMPNPEKXMYWVAK-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)c1 170132795 MQDZCEIBONEXNJ-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)cc1OC 170140125 HPMDKCXYUNKUTL-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)c1 170161792 PNNDNOWEYQULQY-IFXJQAMLSA-N 447.940 4.558 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)ccc1Cl 170183988 WJYXQCUBUPFWJH-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)ccc1OC(C)C 170203493 SAMZARZAAQGWBO-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 170251528 JSZDARPWQSFPEI-JOCHJYFZSA-N 437.467 4.508 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)ccc1OC(C)C 170292451 VZDSCIXDVMCKCK-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(C)o2)cc1 170304187 LBQGWVRVWAQAGX-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC(C)=O)cc1 170320507 PQHLSRGHMYCWPM-IBGZPJMESA-N 448.302 4.907 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)cc1 170411494 XRQCKHJWXRAYNO-DEOSSOPVSA-N 443.499 4.525 30 10 IJEE COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C(=Nc3ccccc3)S2)c1 254702615 WFWNTOZXAYJCPN-NRFANRHFSA-N 431.517 4.860 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@]2(CCOC2)O1 431901816 KCIUZOKQMZWYCS-YKSBVNFPSA-N 439.943 4.797 30 10 IJEE CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCC2CCC(C#N)CC2)cc1 441133326 FYDDXYPSHNQNIA-UHFFFAOYSA-N 442.606 4.691 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2cccc(OCc3cscn3)c2)CC1 446159819 BNYBUHCEXMOXDO-UHFFFAOYSA-N 449.536 4.500 30 10 IJEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 460565030 NTAODHFAHHIHGL-OAQYLSRUSA-N 431.569 4.813 30 10 IJEE C=CCn1c(SC[C@@H](O)C(F)(F)F)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 460596888 LIQIRPFOXWHZMO-CYBMUJFWSA-N 444.475 4.774 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 460945062 UGYFZPUIVODTHG-NRFANRHFSA-N 434.540 4.889 30 10 IJEE C=CCn1c(SCc2noc(Cc3ccccc3C)n2)nnc1-c1cccc(OC)c1 481362141 UTKQGQDDZJEGGF-UHFFFAOYSA-N 433.537 4.714 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 508794654 LMQBSKYMLKHESP-CJAUYULYSA-N 434.515 4.769 30 10 IJEE Cc1ccc(SC2=C(N3C[C@H](C)C[C@@H](C)C3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526685695 XQVWBOHUZFFKEZ-QZTJIDSGSA-N 431.561 4.722 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Sc2ccc(Cl)cc2)=C(N2CCCCCC2)C1=O 526688975 LHJTZJJJHORNCI-UHFFFAOYSA-N 437.952 4.965 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 558992218 UFAZBUNTATXSIB-QFIPXVFZSA-N 445.007 4.653 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCCN(c2ccc(F)c(F)c2)CC1 577445244 UARWUCBOCHNYPW-UHFFFAOYSA-N 446.505 4.674 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N3CCC(C)CC3)CC2)c1 585955550 RIPTXSFKNHPBDG-UHFFFAOYSA-N 426.605 4.570 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCC 721930468 WKLCMBAETVDWRB-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE C#CC[C@H](OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)c1ccccn1 727775212 BURBJSZPOLPONR-DEOSSOPVSA-N 439.467 4.997 30 10 IJEE O=C1/C(=C\c2cnn3ccccc23)CN(c2ccccc2)C/C1=C/c1cnn2ccccc12 729643918 KXEMGVBTQLUBNI-VMTNTFKOSA-N 431.499 4.538 30 10 IJEE N#Cc1ccc([C@@H](OC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)C(N)=O)cc1 734555678 BWXKNHMXFHGSJV-WCCCRJGXSA-N 434.854 4.661 30 10 IJEE C#CCN(C(=O)C[C@@H]1CCOc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 735440537 GJOIWSKOIJOVHX-JXFKEZNVSA-N 440.337 4.691 30 10 IJEE Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1C#N 741369255 OSDRJLVSGGWXQY-MSOLQXFVSA-N 441.409 4.798 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(COc2ccc(F)cc2)n1 745062093 YDFRLTOTMNWMSQ-UHFFFAOYSA-N 427.457 4.598 30 10 IJEE CCOc1cc(/C=C\C(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(C(=O)OC)o1 781107800 KQQDUQDILXIYNI-UITAMQMPSA-N 449.434 4.951 30 10 IJEE COc1ccc(-c2cc(C(=O)NCC3CCC(C#N)CC3)c3ccccc3n2)cc1OC 799386386 WBPXACDHFAQXDL-UHFFFAOYSA-N 429.520 4.979 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c1=S 802747319 SHXHBBKEXAKJSV-PMACEKPBSA-N 434.613 4.677 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 926390488 FIBSEQCZSGQHBZ-COYMHYPVSA-N 443.544 4.510 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 1125471943 YUDQPGGDMOKDJX-UHFFFAOYSA-N 434.901 4.591 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1127401697 ISAFRYFUQVOICK-ZHRRBRCNSA-N 438.490 4.546 30 10 IJEE C#Cc1ccc([C@H](OC(=O)C2CCN(c3nc4ccccc4o3)CC2)C(F)(F)F)cc1 1128967922 COLJMKXOIIFTLB-FQEVSTJZSA-N 428.410 4.872 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3c(Cl)cccc3Cl)C3CC3)cc2C1=O 1129535565 LVGURQHJHPPUPW-IBGZPJMESA-N 429.303 4.657 30 10 IJEE C#C[C@@H](NC(=O)c1cc(CC)nc2onc(CCC)c12)c1ccc(Br)cc1 1129729910 ALSQDBMZNFAAFI-QGZVFWFLSA-N 426.314 4.605 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 1136813549 HEGWQHKEQUMRQR-VQIMIIECSA-N 441.597 4.911 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCc3ccc(C)cc3)CC(F)(F)F)n[nH]2)c1C 1147933471 DTFSRHADBXRIFP-UHFFFAOYSA-N 445.489 4.632 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc(C(=O)OCC)c1)c1ccc(C(F)(F)F)cc1 1188458942 BKVMIYGLMBMVNV-IBGZPJMESA-N 441.471 4.868 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1 1208410250 MPEIPDXMRVSZJE-UHFFFAOYSA-N 427.545 4.588 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br 1209611919 NFAXOZZPDLNJOM-UHFFFAOYSA-N 436.799 4.868 30 10 IJEE C#CCN(C(=O)NCc1ccccc1OCCN(CC)CC)[C@@H]1CCCc2ccccc21 1210941643 BKIFCCUTMFHICD-RUZDIDTESA-N 433.596 4.630 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C)c1ccc(Br)cc1 1217214880 MAYDDKNNNGANQA-KRWDZBQOSA-N 445.267 4.624 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)[C@H]1CCCO1 1226724935 PQCOUQVJHTVTOR-RBUKOAKNSA-N 437.298 4.905 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1273681676 PMSUWBPLAWEUAW-UHFFFAOYSA-N 442.515 4.644 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H](OC)C(C)(C)C 1286302300 CXKMGRBCHPMZDW-RXVVDRJESA-N 447.023 4.771 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1ccsc1 1286402382 ZFQISJNYCYZIJQ-UHFFFAOYSA-N 443.601 4.754 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCC(OC)CC1 1286404666 VMFYQROXCHAKGL-UHFFFAOYSA-N 431.367 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1286440812 ALZURPNVFVYOJR-PGRDOPGGSA-N 437.588 4.688 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286497668 VSUUJZXBDDWZAO-XZOQPEGZSA-N 448.640 4.533 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(CC1CC1)C1CCCCC1 1286506590 XZDXKMKYMXRFII-UHFFFAOYSA-N 426.605 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)CCOc1ccc(Cl)cc1 1286547335 OHYVRXDWRDZKDQ-UEXGIBASSA-N 432.996 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CCC(=O)Nc1cccc(Cl)c1C 1286571526 NJGXAURZCJAZNS-UHFFFAOYSA-N 426.952 4.666 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(N2CCCCC2)CC1 1286632538 BSHCHPNDEUYWRZ-UHFFFAOYSA-N 444.023 4.681 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1286640102 FTFRIJVPPXNYTB-UHFFFAOYSA-N 432.446 4.992 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2cccc(C(F)(F)F)n2)CC1 1286656334 XXSKXYOIOSRQJS-UHFFFAOYSA-N 431.437 4.949 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cc(C)no2)CC1 1286657286 WDAZORIGORYINM-MRXNPFEDSA-N 427.936 4.819 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccco1 1286695576 YJOKFIKSYYDHLF-INIZCTEOSA-N 430.350 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCO[C@@H](C)C1 1286747297 HZHRENXQAJVZEP-ICSRJNTNSA-N 433.581 4.886 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCC1)C(C)C 1286750703 FUDUACWXKCXXPI-XMMPIXPASA-N 432.616 4.896 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC(C)CC1 1286755256 RCYSDKDCUHGIDW-UHFFFAOYSA-N 432.616 4.737 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1286834941 OFEFDYUDUAXXGC-IRLDBZIGSA-N 426.630 4.978 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCC[C@H]1C 1300282738 PWRQMEVNDSPTMB-XVTZWQNCSA-N 438.572 4.822 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1300561423 QWCXNCFNHGWFOE-FPOVZHCZSA-N 444.501 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCSCC(C)C 1300900366 DLEHHFVZRPUSJF-UHFFFAOYSA-N 426.428 4.827 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)c(F)c1 1300924663 GWRCJVPUGUNASJ-WIYYLYMNSA-N 430.568 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CC1 1300924884 JCGGCVPDGRJNKN-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCO[C@H](C)C2)CC1 1301075684 NZOABOYJVPGECH-HZPDHXFCSA-N 449.368 4.818 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1301212405 VRVVUHVQECZILM-MOPGFXCFSA-N 427.568 4.572 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)SC)C1 1301543299 XOPDUERVKFHXSJ-INIZCTEOSA-N 437.009 4.530 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301601871 SWWJEBXBKOMDLI-LJQANCHMSA-N 442.629 4.551 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@](C)(C#N)C1 1301604621 XBYRSIKBMZDMDV-HXUWFJFHSA-N 446.418 4.757 30 10 IJEE C#CCN(C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)[C@@H]1CCCc2ccccc21 1304065769 FXSKKDDZQOXALR-XMMPIXPASA-N 448.563 4.976 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)o1 1304299656 GCANVLVXTGRTSW-LJQANCHMSA-N 432.572 4.619 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 1309417340 FZNFETRPPSALBN-UHFFFAOYSA-N 435.505 4.588 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 1309491044 HQDMYQSEMZUNIZ-QGZVFWFLSA-N 430.835 4.540 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1)c1ccncc1 1312020832 JMWHHEBVEWEWPU-JOCHJYFZSA-N 443.551 4.754 30 10 IJEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CCCC2)C1 1313635366 GLKOMNKHJKNTKH-UHFFFAOYSA-N 448.615 4.626 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1348246959 RSHVHUYHTYBFEM-UHFFFAOYSA-N 440.609 4.871 30 10 IJEE C=CCC1(C(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CCCCC1 1350784423 WUJGVTJRKUJRFN-UHFFFAOYSA-N 436.575 4.690 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1358913845 ZSNSQCZSVJZZHC-PMACEKPBSA-N 443.636 4.506 30 10 IJEE C#CCCCCn1c(N2CCc3sccc3[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1358917215 KBGJVOFOCKASHX-HYBUGGRVSA-N 442.629 4.698 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1358927670 GFAGOXXCOFWNFJ-VXKWHMMOSA-N 433.556 4.653 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)CCC(C)C 1358973615 YGZJVIINJHCRBF-JOCHJYFZSA-N 433.383 4.512 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1COCCC 1359014243 BOMDUBRWOBUUJC-DHIUTWEWSA-N 438.616 4.631 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1359155571 CHAMIVTYLOFXFE-OAQYLSRUSA-N 444.023 4.539 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCN(CCC)C2)CC1 1359176157 NRUMTKREAMTXKQ-IBGZPJMESA-N 444.023 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359185489 YEUQFYSQKWKFAN-UHFFFAOYSA-N 439.604 4.678 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1359208325 JWZKSIUZQMBYMJ-ICSRJNTNSA-N 428.552 4.776 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1Cc1cc(Br)cs1 1359244170 STAGXKLNOZAPAF-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCC(=O)NC(C)(C)C 1359263224 VEOGQXRQVZCDAE-UHFFFAOYSA-N 441.576 4.643 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H](SC)C(C)(C)C 1359275558 XLJLWNRWOWWAME-NRFANRHFSA-N 436.629 4.748 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(C)CCCO1 1359276787 PLTBWDAUSFZOQD-QHCPKHFHSA-N 426.948 4.996 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1cc(F)ccc1F 1359277353 JWCJWHAALRMGRK-UHFFFAOYSA-N 435.478 4.803 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H]2CCCc3cc(F)ccc32)nnc1-c1ccco1 1435388542 SVLXYVFLSWIJEP-GOSISDBHSA-N 427.501 4.966 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 1436301219 ZNYLVQVDYCBHPV-UHFFFAOYSA-N 430.451 4.700 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1436651926 UZEIIPGSNLYOOT-WBMJQRKESA-N 426.232 4.726 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1 1450846177 REPPDSWSZASXPA-OAQYLSRUSA-N 428.529 4.764 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)CCc3ccc(Br)cc3)n2)c(Cl)c1 1458219438 ALABRORFOGCWOU-UHFFFAOYSA-N 429.705 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 1458275823 GVWVVWLRZLTTPK-RUZDIDTESA-N 437.588 4.933 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2Cc3ccccc3C(C)(C)C2)cc1 1459874290 FZTFNVKBLQGDLC-UHFFFAOYSA-N 442.563 4.706 30 10 IJEE C#C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 1463832511 MDVBEVZYCKGEKL-INIZCTEOSA-N 433.154 4.550 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 1465320934 BDTFSWGKCWAZBO-KRWDZBQOSA-N 430.483 4.852 30 10 IJEE C[C@@](O)(CNC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(F)c1 1466235757 HBFCACFDJNDGLL-DOTOQJQBSA-N 438.343 4.655 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)c1 1466461441 BXZSOTLEPFYNGH-UHFFFAOYSA-N 441.507 4.892 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C 1469297198 VBSYVXQHWZGVFE-RBUKOAKNSA-N 438.609 4.739 30 10 IJEE C#CCOCSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 1472913732 MISADYUFUYAFJP-UHFFFAOYSA-N 428.355 4.650 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 1474819875 PUUYQGLNFOPSSK-HXUWFJFHSA-N 435.973 4.665 30 10 IJEE COC(C)(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1503907008 HWMKQEAMCAJEKE-VWLOTQADSA-N 439.604 4.925 30 10 IJEE N#CCCN(CC1CC1)c1nnc(CC2CC2)n1CCc1cc(Br)ccc1F 1505324503 DDLWJHRDUKOQRA-UHFFFAOYSA-N 446.368 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)c(F)c1 1507521226 LBIZAVXOMZNGEC-GJZGRUSLSA-N 426.536 4.916 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1507566205 DIYUPFYMDWAOQL-UHFFFAOYSA-N 430.543 4.996 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCC(OC)CC1 1507682004 FWLASMDGEQAREP-UHFFFAOYSA-N 445.405 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1C/C=C/CC 1507764382 OVPLNCSKVQQQTH-QQUYBBDPSA-N 429.362 4.675 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C(C)C)N1CCCC1 1507770885 YTORQZPQELACFK-RPLLCQBOSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 1507795782 KBUKTMWQDLZCNP-TZIWHRDSSA-N 444.023 4.500 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC 1507799742 ZZBUZEATXPUBNL-KBXCAEBGSA-N 437.357 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507801363 UOCJYJXIUVLQPS-UTKZUKDTSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](C)C1 1507810643 LQDDDKAEIYLZMA-PWHSHALESA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1507838734 HHZBTQFBBIRCLT-DNVCBOLYSA-N 449.368 4.818 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](COCC)C1 1507858175 GFZQOMHKRKRAJK-GOSISDBHSA-N 442.947 4.732 30 10 IJEE C=C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507882898 OSPSRRHYTKAJRM-DEOSSOPVSA-N 434.632 4.960 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCCC2)CC1 1507927352 QRDXDXLMVCCOKC-UHFFFAOYSA-N 438.576 4.664 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(C)ccc21 1507958576 XFUFMVIEFRNMPQ-UHFFFAOYSA-N 442.361 4.631 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)c(F)c1)C1CC1 1507988848 WOACGSZOCIXRAN-UHFFFAOYSA-N 434.288 4.517 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1507989420 BWUMEMODPWBRLS-UHFFFAOYSA-N 438.963 4.769 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@](C)(O)C1CCCCC1 1508002822 NRZVSOLAGZDVQA-MHZLTWQESA-N 445.611 4.788 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CC(=O)Nc1ccc(F)cc1 1508006097 IDHUSTKBPOEVHI-UHFFFAOYSA-N 427.549 4.608 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)(N(C)C)C1 1512094509 FHEBCDKYPVPEJH-IBVKSMDESA-N 434.632 4.954 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)s1 1513717442 BYEHYBVAKGMPND-INIZCTEOSA-N 438.601 4.503 30 10 IJEE C#CCN(C(=O)c1coc2c(OC)cccc12)[C@@H]1CCOc2ccc(Br)cc21 1521818246 APOPFEOVTKRUSJ-GOSISDBHSA-N 440.293 4.803 30 10 IJEE C=CCOc1ccc(CC(=O)NCc2cc(Br)ccc2Br)cc1 1522907913 LOEIERHYNVTXLB-UHFFFAOYSA-N 439.147 4.635 30 10 IJEE N#Cc1nc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)ccc1Br 1526374486 GUYQMYARLZRMSU-UHFFFAOYSA-N 449.146 4.929 30 10 IJEE Cn1nc2cc(Br)ccc2c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1527402197 FFKWCVRJAFFRIM-UHFFFAOYSA-N 448.280 4.647 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3cccc(F)c3)c2CCC)cc(OC)c1OC 1528662387 VHTRZYDBDVPSBP-UHFFFAOYSA-N 437.515 4.640 30 10 IJEE Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C 1530864135 GZPOZWDXFKBTST-XXBNENTESA-N 435.955 4.935 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(-n2cnnn2)c1)c1ccc(C)c(C)c1 1531214766 YMPLRLNCKZROKA-UHFFFAOYSA-N 439.519 4.691 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1531923105 KVRPNTAOIJLDKS-VXSCBNMQSA-N 430.589 4.736 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)C(C)(C)C 1538021792 GZQXAOIVNPZHCF-UHFFFAOYSA-N 427.342 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CC)CCOCC1 1538982304 DAMPWGKOWZGEKB-ROUUACIJSA-N 426.630 4.796 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1cccc(F)c1 1538984110 BIDGXLQMENHGAX-KRWDZBQOSA-N 438.572 4.952 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1sc(C)nc1C 1539347161 PFHSWAWPSVEFFQ-UHFFFAOYSA-N 430.581 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CCO[C@@H]1C1CC1 1539659139 KSMXHXHJJZWOFK-RDGATRHJSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC=C(C(C)(C)C)CC1 1539759757 YHXIGBOZZBRUGU-UHFFFAOYSA-N 428.552 4.772 30 10 IJEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)O[C@H](C)c3ccc(C#N)cc3)ccc2Cl)C1 1539790204 DVECUQCGQHXAPT-JKSUJKDBSA-N 446.956 4.550 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1Cc2ccc(Br)cc2C1 1539912959 WNECYHZHACEXBN-UHFFFAOYSA-N 441.377 4.564 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCC1(F)F 1540139742 LLGALAGRLFRDMD-QGZVFWFLSA-N 449.571 4.594 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)CCCO1 1540186938 JCCVDDRHOPNGEU-DEOSSOPVSA-N 440.975 4.920 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC2CCOCC2)C1 1540886343 APNLDGIBPCQBRT-LJQANCHMSA-N 448.970 4.726 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 1542190803 YWJWKQOLEDAEJG-PZJWPPBQSA-N 440.588 4.877 30 10 IJEE Cn1ccnc1[C@@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(F)(F)F 1543116037 FGJLCSUEHSJOOB-HXUWFJFHSA-N 442.441 4.740 30 10 IJEE C=CCN(CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1cc(Br)ccc1F 1559518535 XGRLDKTZUMBDGB-UHFFFAOYSA-N 448.336 4.541 30 10 IJEE C#CCCOc1ccc(CNC2CCN(Cc3ccc(Br)cc3)CC2)cc1 1560394414 WDVFECMOOHXMDD-UHFFFAOYSA-N 427.386 4.605 30 10 IJEE CN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1C#N 1561939350 HFVHUKZUDGMMNS-UHFFFAOYSA-N 448.331 4.873 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 1562691419 AOJSTHVLHHYICM-INIZCTEOSA-N 435.337 4.680 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 1563436029 SKEMMFUUVFMVAJ-HXUWFJFHSA-N 431.939 4.680 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 1564067633 ZZMPDLDUENLEEA-SFHVURJKSA-N 433.335 4.758 30 10 IJEE C=CCC1(NC(=O)c2cccc(NS(=O)(=O)c3ccc(OCC)cc3)c2)CCCCC1 1569104025 WXDULBAZSNJNIY-UHFFFAOYSA-N 442.581 4.895 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 1570552498 IDAUATAWLUQDTH-RDTXWAMCSA-N 439.478 4.639 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc1OC 1586130094 OJYONWCFCAWGAQ-KOCYXHKHSA-N 443.584 4.782 30 10 IJEE C=C[C@H](OC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1ccccc1 1587283274 QGWZPOCGMKOKDV-YUXAGFNASA-N 425.525 4.956 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2ccc(F)cc2F)CC1 1588168558 BFPODIQRKTXTNB-UHFFFAOYSA-N 435.499 4.950 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(OCc2ccccc2)CC1 1589544591 IWVCVOGDNIZJSU-WIOPSUGQSA-N 438.616 4.643 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)C(C)(C)C1 1593671500 KWGMDNOWTREFNA-KRWDZBQOSA-N 425.360 4.601 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1593795977 CZLWEDRZWNAEIZ-UHFFFAOYSA-N 427.474 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1594510801 AHWAGZSCHRCJDJ-WOJBJXKFSA-N 443.661 4.879 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCc2oncc2C1 1594591072 KHZKJYCMMZTNGS-UHFFFAOYSA-N 446.324 4.754 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCC[C@@H]21 1594727235 MPPGPHXGKHNSBQ-ZCNNSNEGSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1Cc1c(C)coc1C 1595133946 PDUZMCQKLAOVFV-UHFFFAOYSA-N 431.515 4.854 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1595700196 LXNSFOUBFCYRIB-VQTJNVASSA-N 430.618 4.513 30 10 IJEE C#C[C@H](NC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccc(Cl)cc1F 1597001192 ALLQIXYCQAYDQU-IBGZPJMESA-N 434.939 4.697 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)nc1 1606951499 FECAPJIQPBBZJT-UHFFFAOYSA-N 437.636 4.775 30 10 IJEE Cc1ccc(/N=C2\S[CH][C@H](c3ccc(S(=O)(=O)N(C)C)cc3)N2C(C)(C)C)cc1 1614593995 BQWLZEYJAUOXMN-DDYOIZNJSA-N 430.619 4.983 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(NC(=O)c4ccc(OC)cc4)s3)cc21 1615748304 JDDIAQASKMADEM-UHFFFAOYSA-N 432.505 4.797 30 10 IJEE CN(Cc1ccccc1NC(=O)N1CCC[C@@H](CC#N)C1)C(=O)c1cc2ccccc2o1 1623089635 ACNLTKDIPMCYCA-SFHVURJKSA-N 430.508 4.863 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1Br 1623171497 AYVGFFSTOVELAW-QGZVFWFLSA-N 431.305 4.839 30 10 IJEE N#Cc1ccccc1OCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1623583824 IERVONWBZBDYHD-AREMUKBSSA-N 445.950 4.524 30 10 IJEE C=CCC[C@H](C(=O)Nc1nccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1)c1ccccc1 1623637956 VPORSNYVRHFXRP-UXHICEINSA-N 436.556 4.890 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 1626140963 IRYRDGYFLZHJNS-KRWDZBQOSA-N 445.498 4.561 30 10 IJEE Cc1ccc(SCCC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1C 1626676499 AKTGIWQCZKAQGE-QFIPXVFZSA-N 428.001 4.848 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 1631635010 BFXPYBQXEAQZCC-VQIMIIECSA-N 442.560 4.726 30 10 IJEE C=CCCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1634764619 IRWDDRBAAAUDLV-UHFFFAOYSA-N 427.353 4.880 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(OC)ccc(Br)c2[nH]1)c1ccc(Cl)cc1F 1635191674 NCMSUSJDIHLOBW-HNNXBMFYSA-N 435.680 4.836 30 10 IJEE C=CCOc1cccnc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1636890908 FZEPEMKSLZHMKS-VWLOTQADSA-N 447.966 4.847 30 10 IJEE C=CCn1c(SCCOc2ccccc2C(=O)OC(C)(C)C)nnc1-c1ccccn1 1640977389 CGDBJJDQCRMLIA-UHFFFAOYSA-N 438.553 4.653 30 10 IJEE C=CCn1c(SCC2(CC(=O)OC)CC2)nc2scc(-c3cccs3)c2c1=O 1651581835 WSPJOJDZCBOUOC-UHFFFAOYSA-N 432.592 4.808 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H](O)COc1cc(C)ccc1Cl 1653290061 QPZHJJHTXUNYJR-KRWDZBQOSA-N 442.756 4.978 30 10 IJEE C=CCOc1ccc(CNC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)cc1OC 1655304831 MJUWCECGAIOKIT-UTKZUKDTSA-N 448.966 4.604 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCCN(c2ccc(F)cc2C)C1 1655638537 UVXUTQAFMSOSMM-HXUWFJFHSA-N 431.349 4.667 30 10 IJEE C=CCn1c(SCc2ccc(OCC(F)(F)F)nn2)nnc1-c1cccc(Cl)c1 1656402913 FKKOHIJWARYMOG-UHFFFAOYSA-N 441.866 4.808 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)c1ccccc1 1665225699 AKIBNNRQTRIRNV-KWMCUTETSA-N 446.516 4.965 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1667452795 DRVSEFMNZZMINC-DOTOQJQBSA-N 428.863 4.819 30 10 IJEE C#CC[C@H](COC)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1668151231 VAUMJWIHYNZMOO-CQSZACIVSA-N 442.384 4.613 30 10 IJEE C=CCc1cc(CNC(=O)N2CC=C(c3ccc(OCC)cc3)CC2)cc(OC)c1OC 1677637071 FBPAKGXXODABQG-UHFFFAOYSA-N 436.552 4.830 30 10 IJEE C#CCN(C(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCCC1 1679423567 YPUYGASGRZIHBG-UNMCSNQZSA-N 433.955 4.507 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C2CC2)C1 1689881643 XSOOYHDATUPAGL-INIZCTEOSA-N 431.353 4.887 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CCC 1690063833 QGKNPVQSWFDFRK-NRFANRHFSA-N 439.673 5.000 30 10 IJEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690165749 IZGAVGVQAUQCBH-UHFFFAOYSA-N 441.551 4.589 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cnn(C)c1C 1690257763 SXHIGYVZAKFGTJ-UHFFFAOYSA-N 447.612 4.870 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690276260 TUXRGKLEJMUQQK-NHCUHLMSSA-N 439.604 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@](C)(OC)CC1 1690422273 JQWZVNSYZASCEQ-QHCPKHFHSA-N 427.549 4.851 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1C 1690572176 VPMVGVAXRZNLFT-YDWJEQILSA-N 442.579 4.770 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690601868 DFWZTQPQLDHNHT-IUTQVRIDSA-N 433.600 4.722 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCC2(F)F)CC1 1698494220 IEVPPNMVGSUERE-GOSISDBHSA-N 447.505 4.952 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC(C)(C)C)nc1 1705545273 VAVWEBPHIXRKNT-QGZVFWFLSA-N 449.624 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1N(C)CCCC1(C)C 1705608615 XYHNFVMZAPBGQK-LJQANCHMSA-N 434.415 4.832 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1705616890 QBOIEROETCHMQV-QHCPKHFHSA-N 436.600 4.815 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1705656199 REVBJFHHFUATHU-UHFFFAOYSA-N 426.895 4.664 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CC1(N(C)C)CCCCC1 1705676886 RZCBGSPBBQUCHM-AREMUKBSSA-N 433.644 4.710 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)C[C@H](C)c1nccs1 1705689469 NKKJXRTYJLUFNB-LBPRGKRZSA-N 438.420 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CC1CCC1 1705697135 KKIZTIAKCUACNG-QFBILLFUSA-N 448.409 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)c1ccco1 1705789573 PICNNZKSUWCRAI-MRXNPFEDSA-N 432.528 4.987 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1705798577 WHFKGUWPHJZGPS-POGFHVCPSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705809390 PYYHGVQTSJMRDO-LJQANCHMSA-N 438.494 4.598 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(C)(C)C1CC1 1705841244 TYIUBIAUXFOBGO-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1Cc1nc(C)c(C)s1 1705864499 DHAFBHVBVCBCJO-UHFFFAOYSA-N 448.571 4.717 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)C1CC1 1705865716 SWZZAUKYAIOBKV-INIZCTEOSA-N 443.020 4.730 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)N1CCC[C@H](C)C1 1705872523 ALNYSQOHNAPHSF-SFTDATJTSA-N 430.600 4.792 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1705878442 PJESOZZXMAMOEU-VWLOTQADSA-N 439.673 4.608 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1722511974 SILNQAUMNOJNKX-RDGATRHJSA-N 440.588 4.570 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](COC)C1 1722597234 IXNBZGADQNHECY-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722605328 DCNNGOMAPZCINP-QUCCMNQESA-N 431.625 4.717 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccsc2Br)C1 1722712956 CDENKKWUWQDJHE-INIZCTEOSA-N 437.407 4.589 30 10 IJEE CC(C)c1csc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)n1 1722862931 FYZHYOYGQSUHAI-CVEARBPZSA-N 442.564 4.781 30 10 IJEE CC(C)OCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1723724156 FDOAIHVIBKTENN-ZDUSSCGKSA-N 440.773 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@@H]1CCCCO1 1740540907 OAVMBJGZTQJMSF-FPOVZHCZSA-N 434.540 4.534 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1740572304 HOTOSKVGZZJQDY-VXKWHMMOSA-N 431.584 4.937 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC#N)CC1 1740711129 HRBGFWZFLNKBMG-QGZVFWFLSA-N 439.654 4.628 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)CC[C@@H]1C 1740713634 JKQHJBOKODWMOL-CVEARBPZSA-N 433.419 4.699 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H](C)C1 1740720312 UQDKYCRUMKFUMU-GOSISDBHSA-N 447.048 4.854 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1Cc2ccccc2[C@@H]1C 1740741082 PGUOFQNDNUMQPN-ZDUSSCGKSA-N 430.737 4.983 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1C 1740765661 BLXRJDRKFWMDAH-SPEDKVCISA-N 428.602 4.549 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(C)(C)O)CC1 1740828674 SWUXDUBQEFUINB-UHFFFAOYSA-N 432.996 4.569 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1740882441 LJKLDLAWXXXKKY-NQIIRXRSSA-N 437.975 4.969 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(C)(C)C 1740925426 NCKIDLSEBDJTKB-UHFFFAOYSA-N 444.649 4.551 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740944384 FJTUMFVODBHEJA-IBGZPJMESA-N 441.377 4.548 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cscn2)n1 1741322929 BEZBYBLJFMPOEV-UHFFFAOYSA-N 435.582 4.538 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1743175477 CJGKPYZPYUSJHW-CVEARBPZSA-N 441.988 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCOC1CCCCC1 1748646724 CODGJAAJPKZESW-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1748708817 HLDJPLOOJLNWRU-UHFFFAOYSA-N 447.608 4.517 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1CCCCO1 1748859852 OMOMNKOUAAEORV-QHCPKHFHSA-N 448.611 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCO[C@H]1CCCC[C@@H]1C 1748867292 FEMNVDYIMNQIOI-ZCYQVOJMSA-N 444.623 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C)c1 1749147704 ORPXOMXNQNMZAG-UHFFFAOYSA-N 428.378 4.805 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nccn2C(F)F)CC1 1749288225 OKWBQDBSKMROKG-UHFFFAOYSA-N 449.303 4.504 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCCn2ccnc2C)CC1 1749294277 UPZHATQSSOHZJU-UHFFFAOYSA-N 428.943 4.879 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1749294341 XCDJAXICRCFTKR-UHFFFAOYSA-N 443.473 4.767 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccccc2C(C)C)CC1 1749345548 LYXYAJWNANEGSV-UHFFFAOYSA-N 431.584 4.869 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCC2CCN(CC)CC2)CC1 1749346961 DXMGEPJSVUBWHX-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749391271 SAMZLKYIMPCKSY-IBGZPJMESA-N 439.604 4.876 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749441496 DRZMYNFPCZNKCO-UHFFFAOYSA-N 436.991 4.519 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1749502493 WGPRTBYCYHOZTR-GOSISDBHSA-N 445.633 4.804 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@]1(C)CCCS1 1749553088 NAUBANKIALBEDC-JOCHJYFZSA-N 425.627 4.804 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1Cc1ccncc1Cl 1749589534 AIATUBGYAJLYDS-UHFFFAOYSA-N 425.964 4.936 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)C1 1749701427 UGGRTQCPUZGGGX-CNNODRBYSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)C1 1749745355 ZKBUQZUPAFBJNH-HZPDHXFCSA-N 439.050 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN(C(C)C)C1 1760097116 AIZRLEHOAQRRBT-WWNPGLIZSA-N 437.632 4.613 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@](C)(C#N)C1 1760133481 FVNWUDWVZWREHP-NRFANRHFSA-N 444.352 4.780 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)CC1CCCCC1 1760283923 CMXJGNYFFIMXNW-UHFFFAOYSA-N 426.630 4.857 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)c(F)c1 1760324528 KJEPTJXEXGFROD-XMSQKQJNSA-N 444.551 4.826 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCCC[C@@H]2C)CC1 1760390679 KWBMZESEQIODKR-NRFANRHFSA-N 425.596 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760413504 KFUFBXVVMFUMNN-LVXARBLLSA-N 438.616 4.554 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1cccc(O)c1 1760429267 WXLKSUQYNHRHRI-LJQANCHMSA-N 430.556 4.776 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760442598 FEVLFQYOZWPRAE-UHFFFAOYSA-N 432.616 4.561 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760455045 ZCNONECTLNDDTF-VGSWGCGISA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC1(SC)CCC1 1760486876 CHPWUEVMWWFISP-UHFFFAOYSA-N 425.627 4.804 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1ccccc1F 1760496556 YPTBGVCRWWNRFJ-UHFFFAOYSA-N 425.577 4.929 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@@H](C)CC#N)c(C)o1 1761649498 GHYSLQKXOAKKRM-OWJWWREXSA-N 433.512 4.547 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1762871489 DAGHUXOEEDQLLI-MOPGFXCFSA-N 438.595 4.640 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C#N)CC1)c1ccco1 1764926165 FPLHBXCAOVCKLG-OAQYLSRUSA-N 436.535 4.500 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1csc([C@H](C)OC)n1 1766001083 DCRAIAYLWOFTEZ-INIZCTEOSA-N 436.585 4.655 30 10 IJEE COc1ccc(Br)cc1Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C 1768417083 BHHSXZHEWGXBOI-OAQYLSRUSA-N 446.393 4.525 30 10 IJEE COc1ccc([C@H](Cn2c(C3CCCC3)nnc2N(C)[C@H](C)CC#N)N2CCCC2)cc1 1768432067 FTMHBIZFWAHOEE-XXBNENTESA-N 436.604 4.520 30 10 IJEE N#CCC1CCN(c2nnc(CCCc3ccccc3)n2CCC[C@@H]2CCCCO2)CC1 1770754427 FVTSKAOUYPQFKT-DEOSSOPVSA-N 435.616 4.933 30 10 IJEE CN1C(=O)/C(=C2\SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)c2ccccc21 1772733746 AYVGDYXQKCVTOD-KYAAWVSQSA-N 446.919 4.890 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)COc3ccc(NC(=O)C(C)(C)C)cc3)c2C#N)C1 1860135805 XYHQEIWFCLYTDA-AWEZNQCLSA-N 425.554 4.747 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861170693 DPPPRZNVOUAVGX-DEOSSOPVSA-N 445.623 4.505 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1CCCN(C)C 1862379794 LDPJKMQXMSRACP-FQEVSTJZSA-N 447.362 4.832 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Cl)cc2)cc1 1862392312 UOSFBSIIIOHDMX-NRFANRHFSA-N 427.928 4.907 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862429028 DKLISKAQLHWLCA-NRFANRHFSA-N 435.911 4.514 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862461448 FWGFIDDQJHWKIO-FQEVSTJZSA-N 447.453 4.626 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc2cc[nH]c2c1 1862491580 WTBAAGBYWPNQSY-HSZRJFAPSA-N 432.520 4.790 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2c(F)cccc2Cl)c1 1862494911 QSKCYQNWIGBZPY-OAQYLSRUSA-N 444.934 4.626 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 1862507825 VCKAUNHRUUNBBV-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1 1862535794 KMNTWICZVMXBTB-HSZRJFAPSA-N 447.462 4.578 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862557728 ONYCTJQULFIASY-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862568753 XLPRGNKVVHAWDB-XMMPIXPASA-N 440.499 4.612 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Br 1862600108 PJMCHJPVXGKCKH-IBGZPJMESA-N 444.325 4.923 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)ccc1O 1862655760 PAFHSDOPVHMDQP-HSZRJFAPSA-N 429.472 4.685 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1862676775 QURJHZUYDPKCRO-QFIPXVFZSA-N 446.434 4.555 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOC(C)C)c1 1862681539 CFDXHCAKMOCROU-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(OC)c2)cc1 1862687128 GLHPLLMVZINILN-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862701086 WDYBIJVQGOPRAS-POCHDABASA-N 435.520 4.861 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)c1 1862736873 POQCGIBGTSOSCE-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)CSc1ccccc1 1870160333 MCBKGTGVXNKOES-UHFFFAOYSA-N 427.489 4.662 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCCCC)cn1CCC(C)C 1870417942 OQMYFIOJUMPNBP-UHFFFAOYSA-N 432.605 4.571 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871007574 IUPWTAXZPWGYIY-UHFFFAOYSA-N 449.517 4.613 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccccc1 1871016949 DPJGLGUGLDTIKE-UHFFFAOYSA-N 427.589 4.726 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc3ccccc23)c(=O)cc1CNc1ccccc1 1871152020 UDIPMPMRCZWCSW-UHFFFAOYSA-N 439.515 4.817 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 1871347104 YRHWEUHPVKSKOF-FMCGGJTJSA-N 445.446 4.581 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(CCCn1ccnc1)CO2 1871355028 NPRPTFGDPCLBER-MTJSOVHGSA-N 435.911 4.703 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1 1871384499 VIOSFCMPFSMVHQ-JLPGSUDCSA-N 429.472 4.743 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1ccc(F)c(F)c1F 1871442940 GOYPKJSZXUKLJO-GRSHGNNSSA-N 425.362 4.738 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)c(OC)c1 1871446987 LJXCPQLCUBGRNC-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1871863130 WNDGJEOSMKOIPL-NRFANRHFSA-N 444.553 4.834 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872559964 SAFCRABLSPOSJN-NRFANRHFSA-N 434.989 4.941 30 10 IJEE CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(F)c2)cs1 1872775659 WTPWXQIEDSLNQX-HNNXBMFYSA-N 426.469 4.612 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872788093 CTPINTSTWBQJDS-MRXNPFEDSA-N 442.924 4.908 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2cccc(OC)c2)C1=O 1873214972 HYKRQQPVXKVDBP-UHFFFAOYSA-N 440.499 4.652 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1ccc(OC(F)(F)F)cc1 1873527773 PXTVRIVUKPWDAQ-UHFFFAOYSA-N 443.450 4.524 30 10 IJEE CCCCCCCCCCNC(=O)CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 1873936735 PLMGGKXEFXVHAF-UHFFFAOYSA-N 447.576 4.952 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1c[nH]c2ccccc12 1874219209 ZTOLDHCXIKSMOJ-MFKUBSTISA-N 435.553 4.556 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1ccc(OC)cc1 1874228519 NKIUBECTMFEFEV-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CCCc1ccc(OCc2nnc(SCCO)n2/N=C/c2c(F)cccc2Cl)cc1 1874258521 FVCVJDORPOKQNP-ZMOGYAJESA-N 448.951 4.569 30 10 IJEE OCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874284188 TVVAFEXCKXFHDT-PCLIKHOPSA-N 436.968 4.837 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1cccs1)NC1CCCCC1 1874409330 RDVCDJJEMORSTG-HZHRSRAPSA-N 445.658 4.886 30 10 IJEE Cn1cc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)c2ccccc21 1874445684 INFVXIOASBSTJD-RNRKLAHPSA-N 435.528 4.935 30 10 IJEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@H]1CCCO1 1874449528 FBOBZTXHEAXIJK-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE COCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1c[nH]c2ccccc12 1874474044 JZDGDIIHTDBMKH-ZMOGYAJESA-N 425.945 4.776 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2C(C)(C)C)cc1 1874486819 MBVARUUMFRQZAU-JVWAILMASA-N 449.624 4.990 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1 1874488009 VMMXNBVNVGZVPP-WYMPLXKRSA-N 445.951 4.882 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1/N=C/c1cn(C)c2ccccc12 1874522137 DCKOVHDZUFDHNQ-AFUMVMLFSA-N 446.580 4.508 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1Br 1874605282 LYHRUTBQASNSJJ-VQHVLOKHSA-N 433.298 4.686 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1874620126 KICSTEYJKRYOLO-MDZDMXLPSA-N 445.943 4.809 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875100467 CKZAEOWKNKZSES-JXMROGBWSA-N 446.455 4.938 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)CCOC 1875115665 OVONIHNGXKVNIT-VQHVLOKHSA-N 433.298 4.686 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)CC1 1892246749 GHEJUQSOBYLZDC-OALUTQOASA-N 434.565 4.735 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1CSCCN1C(=O)OC(C)(C)C)NCCC 1922085717 KSKBYBNLOJEMNC-VXKWHMMOSA-N 434.646 4.870 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)[C@H](CN)CCC12CCC2 1924928831 ZBDYZUZKHYVGMS-BTYIYWSLSA-N 434.378 4.992 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 1941496840 LQTWNRNLTKLVNV-MWTRTKDXSA-N 431.533 4.728 30 10 IJEE CC#CCCCC[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2019511994 ZTCPGOWFMDXTNV-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2037224737 QQYKFWLEOCTCRP-KEWLPNKHSA-N 443.544 4.728 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2048811179 GLYUDLVZRZJVDN-VABKMULXSA-N 439.600 4.597 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1C 2079126952 GYUZBLGGLMMGDJ-VMHWHBCQSA-N 435.309 4.789 30 10 IJEE CCc1nn([C@@H](c2ccc(OC(C)C)cc2)C(C)C)c(I)c1C#N 2080106947 GYIWFOYZODLTRG-GOSISDBHSA-N 437.325 4.954 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 2118196588 JTPMNGCAKLHJLO-UHFFFAOYSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124521516 HUORJSKPEJURRQ-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Br)cc1I)c1ccccc1 2142284824 IHZUJUUCFBCKCA-CYBMUJFWSA-N 426.051 4.544 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)cc(F)c1C#N 2174768085 RMPJTKSQLLILIT-XMQYKBBCSA-N 438.341 4.732 30 10 IJEE CC[C@@](C)(C#N)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2174819170 IWSVPPSVLOHXNC-FQEVSTJZSA-N 438.366 4.637 30 10 IJEE C[C@@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)ccc2C#N)C1 2181142361 VKPMYQNPWMWRKP-ZUOKHONESA-N 436.350 4.733 30 10 IJEE N#C[C@](COc1cccc(OCc2ccccc2)c1)(NC1CC1)C1(Br)CC1 2206671577 YKKLTWPMDPPLKF-JOCHJYFZSA-N 427.342 4.586 30 10 IJEE Brc1sc(C#CC[C@H]2CCCCN2)c(Br)c1Br 2216391311 FSSLIKNUQORIEB-MRVPVSSYSA-N 442.014 4.919 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cnn(CCN(C)C(=O)OC(C)(C)C)c1 2218307945 QVFZZGZFKGSTEL-HSZRJFAPSA-N 442.604 4.564 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 2235721102 QINLKAIEQSOHPE-UXHICEINSA-N 429.358 4.655 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCCCN1C(=O)OC(C)(C)C 2235727826 QALIUKIQHWPCKH-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cnc2C#N)C[C@@H]2CCCC[C@@H]21 2240961147 AXLIEFYVYMDSQL-YEWWUXTCSA-N 435.366 4.696 30 10 IJEE C=CCCC1([C@@H](N)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266309194 CCMCSGSTPCFFRW-INIZCTEOSA-N 431.321 4.930 30 10 IJEE C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267113133 POXIYZPBIYEBDE-NMIHRBCNSA-N 440.437 4.664 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@]34CC[C@@H]3CCCN4Cc3ccccc3)CCC2)OC1(C)C 2267459843 GRKHWQIHNPNEMA-HFZDXXHNSA-N 438.421 4.564 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1 2267460098 HJPDZEIUYCIRTL-UHFFFAOYSA-N 444.381 4.709 30 10 IJEE C=C(CN(C)C(=O)C=Cc1cccc(NC(=O)OC(C)(C)C)c1)B1OC(C)(C)C(C)(C)O1 2268646629 USFSLHOXYWREHX-UHFFFAOYSA-N 442.365 4.693 30 10 IJEE COc1ccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c(NC(=O)OC(C)(C)C)c1 2269729755 ZEMQXOYMHPTMON-UHFFFAOYSA-N 442.321 4.529 30 10 IJEE COCC#CC[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276351562 VRLUWJDBFNBYHO-AREMUKBSSA-N 445.559 4.901 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1csc(CNC(=O)OC(C)(C)C)c1 2278810269 VGIDYGJLTDBNRA-SFHVURJKSA-N 435.387 4.848 30 10 IJEE CCN[C@@H](C#Cc1cccnc1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2295835066 IUCMPTKFROORJM-IBGZPJMESA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@H](N)C#Cc2cccc(Br)c2)CC1 2296223458 ADPPQBMUUOTBOS-QWFCFKBJSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2cccc(Br)c2)CCC12CCC2 2296224931 PGLLNPKSRRSBDX-PKOBYXMFSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@@H](N)C#Cc2cccc(Br)c2)CC1 2296267749 WSXQGDNWDRWNFY-MDKPJZGXSA-N 439.369 4.551 30 10 IJEE C=CCOc1ccccc1C=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2296405724 PAWZENYVGNCUHZ-UHFFFAOYSA-N 425.444 4.994 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccccc1 2296771476 DOCOBSOWSRBCBT-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2306524895 DHBUSXUYTJOMGB-UHFFFAOYSA-N 428.573 4.699 30 10 IJEE C[C@H](C[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317358360 LQMFLDJDVIWXKA-JGJWRRPTSA-N 432.370 4.797 30 10 IJEE Cc1ccccc1CSc1nncn1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2321238914 RUPLUKFVWSHLPC-UHFFFAOYSA-N 428.517 4.980 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(C(C)C)cc1)O3)CN(CCc1cnc[nH]1)CO2 2322206920 XCBVGPDCRFZGCI-UHFFFAOYSA-N 429.520 4.852 30 10 IJEE Cc1ccc(-n2ncc(NN=Cc3c(F)cccc3Cl)c(Br)c2=O)cc1 2322634561 HDNNEYCTLZLOJV-UHFFFAOYSA-N 435.684 4.542 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2322722443 DFKVODUYXWWFFY-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cc(OC)cc(OC)c4)c3C)C2=O)c1 2322801145 NMPYRJBUIIJKRF-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2323289692 CQMFKXHJYAWPGB-IVNQDJSRSA-N 442.600 4.992 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325423975 VJGZBDNQNWHPSY-MRXNPFEDSA-N 442.471 4.667 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cccc(OC)c3)c2)cc1 2325735100 ITFSDQBYGZPIKM-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCOc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)OCO4)ccc2OC)c1 2325747027 KWTVLHGYSFUTAQ-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1O 2326074885 RBILJIUUOYDOGT-UHFFFAOYSA-N 428.945 4.809 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1sccc1C 2326210397 SNLHRJNQZQHJQJ-UHFFFAOYSA-N 430.599 4.835 30 10 IJEE CCOc1ccc(OCc2nnc(SC)n2N=Cc2ccc(N(CC)CC)cc2)cc1 2326627407 LTIITFHKNOAGKQ-UHFFFAOYSA-N 439.585 4.706 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc(OCC)c1 2327476067 MIVXUFHUXIKFTG-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2328075372 WWXCHKDIQDTJDG-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE Cc1ccc(Cc2nnc(SCCO)n2N=Cc2ccc(Cl)c(Cl)c2)cc1C 2329459818 KQUKHFLJDBMXCY-UHFFFAOYSA-N 435.380 4.759 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331081345 LGUVTURKKGBGHX-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(F)(F)F)cc1 2331101144 LUKBCRNKGWYSAU-UHFFFAOYSA-N 440.491 4.882 30 10 IJEE CCOc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)ccc1O 2331123821 BNSIPRFKGKIODX-UHFFFAOYSA-N 440.422 4.715 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2C)o1 2331201157 UQTTXVQKAABEPW-UHFFFAOYSA-N 436.493 4.791 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cccc(F)c1 2331678690 VHKRANGHXTYBRT-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE C[C@H]1C[C@@H]1N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339599998 JSPXYHXAEZMSSE-QGUQWCRPSA-N 444.381 4.751 30 10 IJEE C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2339601573 ZYSCUJHIOQISQM-PKOBYXMFSA-N 444.381 4.893 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362716185 BHAGPGMDVQCAEX-PMACEKPBSA-N 435.406 4.667 30 10 IJEE Cc1cc(C#N)c(OCc2cc(I)ccc2Br)nc1C 2367500499 PQTUPRSNRQBAQC-UHFFFAOYSA-N 443.082 4.516 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2ccc(OC)c(OC)c2)C3=O)cc1 938715 CNRWTNUAKLAGSF-ZMOGYAJESA-N 446.455 4.686 30 10 IJEE CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccc(OC)cc1 8823770 UWMUDYWJVXTUOT-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE C=CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 14055209 MYKLYJHXTJFCGR-OAQYLSRUSA-N 435.549 4.605 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3ccc(F)cc3)CC2)c1=S 16078757 IZCOHPUOLIHFPR-UHFFFAOYSA-N 443.979 4.839 30 10 IJEE Cc1ccccc1NC(=O)CCSc1n[nH]c(N/N=C/c2c(O)ccc3ccccc23)n1 20907521 AFOMYXUMQSYJTF-ZVHZXABRSA-N 446.536 4.539 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1OC 21249603 SOVDTLPJYNMAIB-AEFFLSMTSA-N 425.912 4.752 30 10 IJEE COc1ccc([C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N(C)C)cc1 32201410 FTKBLMVFQDQVQM-QFIPXVFZSA-N 431.561 4.751 30 10 IJEE Cc1cc(Cl)ccc1N/C(=N\C(=O)c1ccc(F)cc1)NCCc1c(C)nn(C)c1C 32973869 BTLDUQWYCVLUTD-UHFFFAOYSA-N 441.938 4.578 30 10 IJEE N#Cc1c(NC(=O)CCSc2nnc3ccc4ccccc4n23)sc2c1CCCC2 40169897 MQWXUHUVCCZYSA-UHFFFAOYSA-N 433.562 4.815 30 10 IJEE C=CCn1nc(C)c(/C=N/Nc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c1C 59831003 IOBPWWJQSGKDQP-ZVBGSRNCSA-N 436.372 4.849 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1nc2ccccc2n1Cc1ccccc1C#N 95087395 YDCKULQRSHQZEI-OAQYLSRUSA-N 445.567 4.840 30 10 IJEE COc1cccc(/C=C(\C(=O)OCC(=O)N(CCC#N)c2ccccc2)c2ccccc2)c1 96481985 ZCOYADDJLSPLFU-PLRJNAJWSA-N 440.499 4.726 30 10 IJEE COc1cc(/C=N\Nc2nc(C)c(C)c(=O)[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 169895994 PDDSLWKOEIWWSB-WGARJPEWSA-N 434.540 4.718 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928918 BJRAZCJDPLVNMG-NRFANRHFSA-N 448.406 4.525 30 10 IJEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1[N+](=O)[O-] 169942894 ZLIOQCLCXPJXRF-NHDPSOOVSA-N 428.470 4.580 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccnc1 170013425 BJQIQNJTDMICDK-JOCHJYFZSA-N 441.512 4.793 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccncc2)cc1 170020028 GMVUCNFKBBMFSJ-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc(O)c1 170080039 VSFKETGWJFWDBT-HSZRJFAPSA-N 435.426 4.772 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(C)o2)cc1 170101605 PGOUZWYKBNMSTO-LJQANCHMSA-N 438.505 4.843 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)c1 170139782 JPYYZJCUODVBKY-DEOSSOPVSA-N 433.548 4.877 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccs2)cc1 170154711 UXFXZVMLVCUYHP-FQEVSTJZSA-N 429.538 4.542 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1 170234370 QYZSPOJPIHQIOL-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)cc1 170236112 HXHNSSYKJHCZOS-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 170240286 MEIAACLSNYRXJS-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)c1 170271720 OVDNXSDLBBCVPY-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272779 QJBZJDTWPUAWDJ-QFIPXVFZSA-N 439.427 4.558 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccco3)oc12 170279866 KRNHDXSTUPOEOQ-LJQANCHMSA-N 435.457 4.874 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC)c1 170324475 CUSKIYRJFZAZTI-QMHKHESXSA-N 433.504 4.563 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1)c1ccco1 170376234 CHZSHUDAFOOIDG-JOCHJYFZSA-N 432.451 4.802 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 170438505 NYQBVPBUFHBULM-JOCHJYFZSA-N 437.536 4.995 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1cccc(OCc2ccc(C)cc2)c1 170442739 OMIRRBBYAXESGN-XMMPIXPASA-N 437.536 4.531 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(=O)OC(C)C)cc2)c1 170460005 BOQRFWVQHHUJRY-QFIPXVFZSA-N 445.471 4.936 30 10 IJEE CC(C)(C)[C@@H]1CSC(=Nc2ccc(Br)c(I)c2)N1 393994048 WJCXAWCNILQLDN-NSHDSACASA-N 439.160 4.792 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 460372980 YREGJCYQVPJMFT-OXQOHEQNSA-N 426.952 4.723 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCC(Cc2ccccc2OC)CC1 508809981 BBIBYEOPSDVTJZ-UHFFFAOYSA-N 432.568 4.649 30 10 IJEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1O 526803981 ZOBISHUMGBJKFZ-YSMPRRRNSA-N 448.523 4.788 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(C4CCOCC4)CC3)n2Cc2ccccc2)cc1 549484461 CUPAGHRDIKFQFE-UHFFFAOYSA-N 427.552 4.508 30 10 IJEE COc1ccc(CCN(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)cc1 586166463 MOCYNEBALMXIJT-UHFFFAOYSA-N 440.952 4.654 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1 610402564 QSLMKKWOIUEILZ-UHFFFAOYSA-N 434.418 4.839 30 10 IJEE N#Cc1cc(F)cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687754027 BULDMTWCILXARO-QHCPKHFHSA-N 430.435 4.752 30 10 IJEE Cc1ccc(S(=O)(=O)N(Cc2cc(Cl)ccc2OCC#N)c2ccccc2)cc1 735305607 WEHZUGRJFAOMEN-UHFFFAOYSA-N 426.925 4.946 30 10 IJEE Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)ccc1NC(=O)c1cccs1 759207639 VHAULBTXRHIXKV-HNNXBMFYSA-N 437.908 4.923 30 10 IJEE C=CCN(C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)[C@@H]1CCS(=O)(=O)C1 775988165 OKJZSIOLJRDLSY-QGZVFWFLSA-N 439.364 4.867 30 10 IJEE N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1csc(-c2cccc3ccccc23)n1 786572720 ZRJMJGAWODIIGU-SFHVURJKSA-N 447.466 4.880 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1cccc2ccccc12 800787538 FSBQCNRXYFARFF-UHFFFAOYSA-N 441.535 4.680 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 802576717 DNQQQCTZGDFNGD-AZUAARDMSA-N 441.576 4.730 30 10 IJEE C=CCSc1nc2ccccc2n1CN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 808242053 QBGSBPFJVCHKOZ-MRXNPFEDSA-N 437.491 4.987 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(F)cc1 812749739 CAYLUCBDMSEQJV-DHIUTWEWSA-N 434.898 4.831 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C 916216620 XTJVUTVROZSDKQ-NRFANRHFSA-N 437.565 4.930 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)c1 1125187481 PEHJSHYJMYUVGI-UHFFFAOYSA-N 436.870 4.963 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H]2C[C@](C)(OC)C2(C)C)nnc1-c1ccc(Cl)cc1 1126449643 UUSNIKPVQAKVRJ-JTSKRJEESA-N 449.020 4.539 30 10 IJEE C=C(C)[C@H](NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)c1ccc(F)c(F)c1 1128248877 JPJKFEHFHIJNQC-QFIPXVFZSA-N 440.494 4.942 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)cc(I)c2C)CCCC1 1131251512 OAFMFXKHPAPLOC-UHFFFAOYSA-N 448.142 4.981 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 1134654237 AGMHKRVWXRNSRM-GDLZYMKVSA-N 439.558 4.514 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cc(Br)cc(I)c1 1134728292 JLILSXHQUDHJCT-AWEZNQCLSA-N 434.115 4.625 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C#N)CCc3ccccc3)cc2)cc1 1135435041 DDIKSTFSYDEUJA-FQEVSTJZSA-N 433.533 4.507 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C1CC1 1144340610 DELJOMQICGRBCE-VWLOTQADSA-N 434.540 4.725 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 1147941922 JJFLXAFRLVBESX-STQMWFEESA-N 435.512 4.979 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)c1 1180115202 VVPJJIBITUSERH-UHFFFAOYSA-N 426.472 4.782 30 10 IJEE C=CC(C)(C)NC(=O)c1ccnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1180270906 JQSIYKHLOMGHHE-UHFFFAOYSA-N 441.531 4.815 30 10 IJEE C=CCCCCC[C@@H](C)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1181360601 HPSNIYJUPXTYFS-MJGOQNOKSA-N 443.451 4.717 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](CO)c1ccc(Cl)cc1 1219086950 ULKWBFFFFGRFOM-CQSZACIVSA-N 439.737 4.565 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 1219437048 CHQGXGUXFNUBET-AUUYWEPGSA-N 436.434 4.827 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 1225772901 PKIFCZXPFYJUDF-XZOQPEGZSA-N 427.976 4.720 30 10 IJEE C#C[C@H]1CCCN(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1229373204 VARMXTNFYBJWBA-LPHOPBHVSA-N 427.545 4.691 30 10 IJEE C=CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1264785179 WDNKPKHCSVZTOF-AVRDEDQJSA-N 430.907 4.981 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 1264886944 OFYOIJGDHNLIRA-UHFFFAOYSA-N 442.478 4.647 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(CC=C)c3ccc(Cl)cc3)c2)C1 1280378121 CQFKSIWWYKHXSQ-SFHVURJKSA-N 444.984 4.760 30 10 IJEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1286438275 WNZQUESBHGUWTA-KHCICDEESA-N 442.991 4.550 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](COCc3ccccc3)C2)nnc1C(C)(C)C 1286565109 JBQKCQMRPNLODL-ZRBLBEILSA-N 438.616 4.600 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286601783 YMHSYHIDBYGDHW-RPWUZVMVSA-N 438.616 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2nccc(C(F)(F)F)n2)CC1 1286639177 ZIBKOISEHDJLPQ-UHFFFAOYSA-N 448.880 4.806 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1286646200 MWEYUZUEPGZRRO-NZQKXSOJSA-N 440.588 4.503 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCn2cc(Cl)cn2)CC1 1286650416 BLNRGIJMPDLLEJ-UHFFFAOYSA-N 449.411 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286669889 WOCHDOUOHCJHGX-IBGZPJMESA-N 425.596 4.997 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCSC1 1286718669 RQLXHJHDCNNXAN-LBPRGKRZSA-N 427.799 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CCC)CCC2)C1 1286808547 XFXJQBHXADUYTQ-GOSISDBHSA-N 430.543 4.899 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@@H](C)[C@H]1C 1286828599 ONFPAQNYKPFDFS-SJORKVTESA-N 427.643 4.686 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1)C(=O)OCC 1287776436 KIUZBJXARLUUKL-OAQYLSRUSA-N 437.927 4.652 30 10 IJEE C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)Sc1ccccc1 1288641869 HMEAQMQJMCDPNX-GHTZIAJQSA-N 425.602 4.831 30 10 IJEE CC(F)(F)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C#N)C1 1288739903 FUPVVFNKBAKFJN-GFCCVEGCSA-N 437.903 4.587 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@H](C)N1CCCCC1 1300605925 CFWNOROQPLPZQO-WOJBJXKFSA-N 439.673 4.855 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CC=CCO2)CC1 1301072979 UNOJAEXYMOEBNP-GOSISDBHSA-N 429.362 4.518 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1301074593 DBCZHYZTQRTLJJ-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CCCC2)CC1 1301155896 ZBPMZIXQBXCTBI-UHFFFAOYSA-N 437.632 4.567 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)c(Cl)c1 1304269861 AAJNZQYILDPVOU-UHFFFAOYSA-N 429.904 4.676 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2c(Br)cccc2C#N)CC[C@@H]1C(F)(F)F 1307212163 SFSIEIVSCJLXDX-GXTWGEPZSA-N 448.283 4.603 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 1310862295 GSTMERNOYBYCBH-SFHVURJKSA-N 444.373 4.658 30 10 IJEE C=CC[C@@H]1CCN1C(=O)Nc1cc(Br)cc(I)c1C 1311065247 ZGHASVFLPMARPS-LLVKDONJSA-N 435.103 4.544 30 10 IJEE N#Cc1ccc(CNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1Cl 1312580815 GCSDSKAHTSBSAV-MRXNPFEDSA-N 432.749 4.748 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1)c1ccc(Cl)cc1 1312939186 DRBNFUNQEJUREH-GOSISDBHSA-N 443.334 4.938 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@H](C=C)c2ccccc2)c(C(=O)OCC)c1C 1352793155 JSUCFSYTJPFEJL-INIZCTEOSA-N 427.522 4.874 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3cc(F)ccc3F)c3ccccc3)cc2C1=O 1353249521 TVKYWPGPSNPZJU-UHFFFAOYSA-N 432.426 4.594 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc3ccccc3c2C(=O)OCC)c(OC)c1 1353299471 OFFYQDIXMRJWFR-UHFFFAOYSA-N 425.506 4.833 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(Br)c(SC)c2)cc(OC)c1OC 1356316343 IOKULRVEFQNTPF-UHFFFAOYSA-N 436.371 4.847 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cccs2)CC1 1358907462 PZMSQFKAHVVFGZ-UHFFFAOYSA-N 440.016 4.786 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1358920768 HPSZOOKQMRAQNX-FGZHOGPDSA-N 447.558 4.815 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCCN(C(C)C)CC1 1358925267 ZJDVPGVOUYAFMU-UHFFFAOYSA-N 437.632 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCC[C@H]1CCCCO1 1359063712 BKSKZUFOJVPPNJ-WZOHSFFVSA-N 440.563 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1359108122 CEXFDMVGROLEFP-QUCCMNQESA-N 432.515 4.930 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2sccc2C1 1359129131 RUSMMERYFLTMJN-UHFFFAOYSA-N 444.988 4.824 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@H](COC)C1 1359143548 FGMWOIDZRCHUHF-HNNXBMFYSA-N 439.785 4.713 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1359179974 MZJWPVOSACGQHO-QPPBQGQZSA-N 426.580 4.862 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1359203571 RBWIUYZZEGFLBY-GMAHTHKFSA-N 442.579 4.618 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCSCc2ccc(C)cc2)C1 1359319774 FXCFCXGDMFIEMR-VXKWHMMOSA-N 442.629 4.543 30 10 IJEE COC(=O)[C@](C)(NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 1359913151 FGNPJOKHUDRSMQ-XMMPIXPASA-N 434.879 4.822 30 10 IJEE COC(=O)C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 1435436747 FITGWEURKDYKSY-QHCPKHFHSA-N 448.906 4.825 30 10 IJEE COc1cc(OC)cc(Oc2cccc(CNC(=O)c3cc4ccccc4n3CC#N)c2)c1 1436198835 FHBVHWPZFFJHQV-UHFFFAOYSA-N 441.487 4.904 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccncc1)c1ccc(Br)cc1 1436485914 FLIXQTAPVVOWCB-MRXNPFEDSA-N 436.309 4.716 30 10 IJEE CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 1455462692 FRFLCYLSNWGCRI-XMMPIXPASA-N 447.510 4.778 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nnc1-c1cccs1 1458997270 OTZULOPVIFEPDP-INIZCTEOSA-N 434.949 4.883 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 1459001785 SZQFUPUBLGPALY-SFHVURJKSA-N 445.903 4.992 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)cc1OC 1463843450 OJFPALCNWYQIHF-NBSXQYNISA-N 427.928 4.997 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 1466814576 FEQRKJPLAPBOCH-HXUWFJFHSA-N 431.552 4.841 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(COCC(F)(F)F)c1 1469493689 VQNZWGRNOLZIGH-UHFFFAOYSA-N 438.494 4.831 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](c2ccccc2C)C2CCC(C)CC2)n1 1470689770 AVMCFVOFZJEWNY-XBEWDXHHSA-N 436.600 4.550 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 1474923224 LZEMGJLJKXTBEP-UHFFFAOYSA-N 426.519 4.650 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccccc1 1476441262 GWCPSOFLUNRPGM-FPOVZHCZSA-N 426.442 4.766 30 10 IJEE C#CCN(C(=O)NCC1(C2CCC2)CCC1)[C@@H]1CCOc2ccc(Br)cc21 1478774535 HIEPFYJGHACLJP-LJQANCHMSA-N 431.374 4.888 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12 1479441986 DRQQQONPNBGSMU-UHFFFAOYSA-N 426.495 4.794 30 10 IJEE COCCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1504738270 CRJRFLJZRZYQQX-SFHVURJKSA-N 443.567 4.750 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCSC1(C)C 1507519662 JELWHPMCTOBJJN-GDBMZVCRSA-N 433.419 4.697 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1CC 1507664208 PORFBZXVHJZRAN-LJQANCHMSA-N 444.410 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCc2cccnc21 1507666753 KVNWBFHNLJFMMA-FQEVSTJZSA-N 429.955 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@@H]1OC 1507764510 QRTGRRGUWKTBJB-AUSJPIAWSA-N 449.418 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1507817059 OWCCTVSGUGGGJX-SFTDATJTSA-N 427.612 4.778 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1Cc1nccc(C(F)F)n1 1508005214 OOVHMXLCIHBZOQ-HNNXBMFYSA-N 430.478 4.899 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC(C#N)CC1 1510559592 CLYFNLADYFVQQA-LJQANCHMSA-N 433.478 4.635 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)C1 1512179781 HJTVQCFSHVPZMQ-WOJBJXKFSA-N 448.640 4.678 30 10 IJEE C=CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H](Cc1ccccc1)C(=O)OCC 1522168618 ZJCPWXXMHDRALA-IBGZPJMESA-N 438.505 4.612 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 1524983508 NEFSEXXOEBHOLS-UHFFFAOYSA-N 439.350 4.790 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CCCC1 1528535056 VOKMGLYQWAJDJV-UHFFFAOYSA-N 439.021 4.771 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Br)c(OC(C)C)c1 1528703992 SKQCBRBWLNOHTC-UHFFFAOYSA-N 438.325 4.985 30 10 IJEE Cc1ccc(Cn2nc(C)c(CCC(=O)N[C@H]3CCCc4cc(C#N)ccc43)c2C)cc1 1529286707 ICMVXNXBFWKVAW-SANMLTNESA-N 426.564 4.855 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1 1529313075 OWYMZUWUZCUYPZ-UHFFFAOYSA-N 425.491 4.775 30 10 IJEE C=CCCCC(=O)O[C@@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1529959749 LYMUDIOQBZUYLQ-VGOFRKELSA-N 435.973 4.990 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc1OC 1533864607 FMJCVBMJTFNINQ-LJEUOOAZSA-N 430.342 4.783 30 10 IJEE C#C[C@H](CC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1535483120 CSZIJWKIEOUYIE-JJCXBQPYSA-N 426.516 4.880 30 10 IJEE C#C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccc(Br)cc1 1535483975 UOFIPEKJAZIVMV-AWEZNQCLSA-N 429.058 4.594 30 10 IJEE C#CCSc1ccc(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 1537410569 FHIPEJLOKQDJFZ-UHFFFAOYSA-N 440.524 4.527 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(Cl)c(N(C)C)c2)nnc1-c1ccco1 1538358446 YLVFZBPFVMTCCP-UHFFFAOYSA-N 431.949 4.564 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CC2)C1 1539085216 IKGLCHSMIKIISH-IBGZPJMESA-N 427.593 4.534 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@]2(CCOC2)C1 1539095064 YZFNTFGDGLKVOE-CYFREDJKSA-N 442.991 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCC[C@@H](O)C1 1539677494 FEXJUMZIDKWYBQ-RTBURBONSA-N 430.618 4.533 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC2CCCC2)CC1 1539882160 GGOFIRLKZIQWMI-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1 1539906794 SMOROBYIWQUEEQ-UHFFFAOYSA-N 449.422 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1539909532 MVYMROBVQLYQKS-PMACEKPBSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1539923847 IJLVOYVBKVOSFT-HOCLYGCPSA-N 428.524 4.689 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)OC)C1)c1ccccc1 1539940554 RZSYLDYSXVLMDE-SFTDATJTSA-N 434.540 4.596 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](OCC)C1 1540029733 XSYDLGUISNMKRY-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCc1ccnc(C(C)(C)C)n1 1540084550 WPXQHSDKHWIIGF-UHFFFAOYSA-N 443.599 4.624 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1540854501 LUZBGFJSDKJISF-DOTOQJQBSA-N 426.362 4.615 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(OC)cc1OC 1540855381 PTRXRHKKXBLXTH-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1540885485 KARNCIMVWPLGTR-WIYYLYMNSA-N 446.542 4.951 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1csc(C)n1 1540919566 RZDYIZNIRBBEAF-GOSISDBHSA-N 446.671 4.659 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)N3CCCC[C@@H]3Cc3ccccc3Br)n2)c1 1544564882 GVWXUXHVBHKPOR-LJQANCHMSA-N 449.352 4.744 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccns1 1557522955 YESHZHYEZYMGKN-QHCPKHFHSA-N 447.560 4.633 30 10 IJEE C#CCN(C(=O)CCc1ccc(CC(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370358 LNAYOLNQEPSKEH-UHFFFAOYSA-N 426.601 4.679 30 10 IJEE C#CCC1(O)CCN(Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(OCC)cc2)CC1 1560984412 XZLBSLROEKKWPY-UHFFFAOYSA-N 445.563 4.722 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(c2cccc(Br)c2)CC1 1564091725 FPVISCRDJFCPOL-NHCUHLMSSA-N 438.369 4.962 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 1583539298 QYPFTSXVVMZUMA-CMTIAEDTSA-N 440.518 4.796 30 10 IJEE C=CC[C@H]1N(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CCCC1(C)C 1586319496 IGXNKDINOAVECF-JOCHJYFZSA-N 443.632 4.607 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCOC(F)(F)F 1587677870 MCDYAQXLJGZOCP-ZDUSSCGKSA-N 432.899 4.608 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccc(C)s1 1587701444 BVTOIHDWDOEXAT-UHFFFAOYSA-N 435.597 4.957 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1587754582 HQRZKDLQAOQURP-DEOSSOPVSA-N 429.568 4.592 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@@H](C)C1 1588198550 YDDSFAUAILMHIC-IRXDYDNUSA-N 431.367 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC1(c2ccccc2C)CCOCC1 1589657819 LUIFNNMTBOGWHP-JOCHJYFZSA-N 438.616 4.631 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)cc1OC 1589694539 NJMCXQZLQCDZGO-IFMALSPDSA-N 426.605 4.964 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)CC1 1594070646 JMOASSOKRARANH-UHFFFAOYSA-N 440.370 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(SC)CC2)CC1 1594070958 SYCPPDQISQTBNQ-UHFFFAOYSA-N 437.382 4.899 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1594077721 RQAADNIAIQPSQF-UHFFFAOYSA-N 445.489 4.567 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1594651404 KQNPMQVFQWZDEX-NRFANRHFSA-N 440.979 4.942 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1csc(C)c1)C1CC1 1595070859 PJWRPOXPSOBWMK-IBGZPJMESA-N 443.617 4.923 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC)c2ccccc2)C1 1595738045 KPKDXPIFUZPHEE-SIKLNZKXSA-N 437.613 4.609 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)c3nc(Br)c4ccccn34)c2C#N)CC[C@H]1C 1595890967 GFPMNEMDRUSEPS-MNOVXSKESA-N 429.343 4.968 30 10 IJEE Cc1ccc(-c2ncc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)s2)c(C)c1 1611456546 GBIOMPVRQNKLLT-UHFFFAOYSA-N 430.577 4.693 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cc2cc(Br)cc(Br)c2o1 1618814049 OZRGAWIOFBMYPR-UHFFFAOYSA-N 444.167 4.538 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 1621173836 FBODYAYQNNWLEC-UHFFFAOYSA-N 432.351 4.745 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@H]2COC(=O)NC2CCCC2)cc1OC 1621375327 VWIMHHAASFFIKM-IBGZPJMESA-N 436.980 4.937 30 10 IJEE CCc1nc(-c2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2)n[nH]1 1630569230 FAAGPOODMIUEKR-UHFFFAOYSA-N 439.494 4.887 30 10 IJEE C=CCn1c(SCC(=O)N2CC(Cc3ccsc3)C2)nnc1-c1ccc(Cl)cc1 1633840359 FLUYPGDWIWWEQG-UHFFFAOYSA-N 445.013 4.639 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1634901156 JFQKCGXSEIILHT-QFIPXVFZSA-N 449.551 4.836 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)c1ccccc1 1636573348 HZLHIRSMPCGKLD-DEOSSOPVSA-N 432.545 4.599 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCN(C(C)(C)C)CC3)c2C#N)C1 1641564655 AITNWGKPYAQAFQ-KRWDZBQOSA-N 430.662 4.515 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N(C)CC2(c3ccc(Br)cc3)CC2)CC1 1641837470 CBHJYQYFEDBWKN-FRIYVGAWSA-N 446.433 4.732 30 10 IJEE C=CCn1c(SCc2cc(Cl)ccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCC3 1656058160 NBOSQOYCCUNVEE-UHFFFAOYSA-N 433.942 4.987 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1659295330 NTYZSNMNQCCKAS-UHFFFAOYSA-N 444.284 4.741 30 10 IJEE C=CCCC[C@H](NC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 1659921409 QCTOXBYHGQYPFN-DEOSSOPVSA-N 428.598 4.536 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 1667045913 AJAHWGKEUBRTHO-SFTDATJTSA-N 437.483 4.504 30 10 IJEE C#Cc1cccc(NC(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)c1 1667090538 SSFWAGVVGMGNML-FNZWTVRRSA-N 428.532 4.875 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc(OC)c1OC 1669036298 JHMLAACQLKODSH-LJQANCHMSA-N 444.400 4.813 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1F 1674036066 KDTQNUYONWQFTF-FGZHOGPDSA-N 449.904 4.910 30 10 IJEE COc1ncc(NC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)cc1C#N 1680425757 CXZBWAJQEMFOGN-RZQQEMMASA-N 436.512 4.549 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC2(CCOCC2)CO1)c1ccc(C(F)(F)F)cc1 1680633599 QESUNMXSPMNURW-OALUTQOASA-N 426.479 4.598 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@@H]1CCOC1 1689827947 KDUYZIXFGLQIDS-IPMKNSEASA-N 430.980 4.573 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1689875583 WGJNTESPAGIOID-FQEVSTJZSA-N 442.007 4.537 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSC[C@@H]1C 1689904148 MERHMBQGTRZHHB-IBGZPJMESA-N 426.630 4.900 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1690157276 CCTSVRTVWXFIHS-REWPJTCUSA-N 426.655 4.520 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1C(C)C 1690307122 POIPUMGWIORLBJ-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1690349162 OEIXRXWHEAIUBS-UHFFFAOYSA-N 439.844 4.811 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1690406545 KERIKUWKLMPLJH-QUCCMNQESA-N 428.552 4.893 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCO[C@H]1CCCC[C@H]1C 1690517041 XWZGMVILFJVCPL-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(OC)CCCC1 1690613608 NYXDOXUYWHYJMQ-UHFFFAOYSA-N 439.387 4.850 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)c2ccccn2)C1 1690688053 NFFQSNUACQYDNC-FQEVSTJZSA-N 437.975 4.753 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)C1 1690689648 JACWUUQMVBUVCU-KSEOMHKRSA-N 445.007 4.831 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1N1CCCC1 1690740438 VPDUAZPZTZYHRM-UHFFFAOYSA-N 448.640 4.804 30 10 IJEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCCC(F)(F)C1 1697581933 CSDOPINZFNUOPR-VGSWGCGISA-N 447.505 4.535 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1705527773 JNBYSEBENKZHFX-MJGOQNOKSA-N 430.980 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)C1 1705695603 COZHIWOTFHMFRS-AWWSKVOZSA-N 440.588 4.644 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@](C)(O)C1CCCCC1 1705719591 DNSWVGLKTOZTPD-XMMPIXPASA-N 430.568 4.730 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccsc2)CC1 1705764263 SHGFURIXGJQKAA-UHFFFAOYSA-N 432.391 4.507 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCCCO2)CC1 1705775611 GPDZEVRXGJOVAR-QFIPXVFZSA-N 437.588 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(Cn2cccn2)CC1 1705793292 SBYAPSZHVHYTIU-UHFFFAOYSA-N 432.616 4.893 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1705815105 KXPYJRSSTKCSPS-LJQANCHMSA-N 425.577 4.652 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCCCO1 1705879098 MSAAHPMZKCMNNE-JOCHJYFZSA-N 431.540 4.604 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722321811 GZPZBRVWUCWQOQ-OAQYLSRUSA-N 442.629 4.634 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1oc(CC)nc1C 1722346573 YTPZTLVSTHZJCI-KRWDZBQOSA-N 441.963 4.665 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)Cc1cccs1 1722392877 VIMONKZNRWJAOX-HXUWFJFHSA-N 439.588 4.897 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCC(OC)CC1 1722406998 LHYYDOSYVBEMGC-PGYGNJIDSA-N 430.980 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCSC(F)(F)F 1722498207 SBZUQYVZUZMYEU-HXUWFJFHSA-N 438.519 4.665 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722590379 CIMNZDMBYDHFPI-DHIUTWEWSA-N 443.680 4.723 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](CC)C1 1722597069 FLDXBNQVNZDOLA-INIZCTEOSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccccc2C)C1 1722620895 VZZIMBCRKKRXJT-IBGZPJMESA-N 435.597 4.538 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N1CCC[C@H](C)C1 1722635754 VHDCTXJRWMYCBY-LSDHHAIUSA-N 438.439 4.512 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@@H]1OC 1722678650 ULULVSDOAMCAPG-KXBFYZLASA-N 439.387 4.706 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722702759 IEKZMWBPIQRITM-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2csc(C(C)(C)C)n2)cc1 1730045548 HJCASKJNDJLPST-MRXNPFEDSA-N 438.601 4.689 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1740645428 MXJSWIFPLZDSIW-QFIPXVFZSA-N 448.636 4.834 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N(C)Cc1cc(Br)cs1 1740709917 RWNXMXWUEJTSHB-ZDUSSCGKSA-N 427.437 4.618 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCC1CCOCC1 1740757957 YKYNJUNVGNPCPK-BJKOFHAPSA-N 438.616 4.742 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)CCC)CC1)c1ccccc1 1740802472 MTNSNNKQVSNVAI-UHFFFAOYSA-N 449.624 4.529 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)C2CCCCC2)CC1 1740829671 FQHMVOPKMMPTCK-DNRQZRRGSA-N 430.637 4.684 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740847560 LWQCIJKEPYTMQC-QGZVFWFLSA-N 437.617 4.740 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C)CC1 1740876533 TZLFODWCRIHMPA-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCC1(OC)CCC1 1740924767 CGAZKNQZIQRMEH-UHFFFAOYSA-N 431.378 4.845 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCC 1741003354 SJSKWWFCBWISBZ-SFHVURJKSA-N 437.654 4.548 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC[C@H]1CC 1748799545 JEFRVWNWPOQDDN-LJQANCHMSA-N 432.037 4.558 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCc1sccc1C 1748915387 XNOOBNOBYODGPM-UHFFFAOYSA-N 429.387 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCn1nc(C)cc1C 1749060283 NUNWTHJBAKQOAT-HSZRJFAPSA-N 440.954 4.633 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2nc(C)c(C)s2)CC1 1749305404 IEEZLTFQGDVSNX-UHFFFAOYSA-N 428.005 4.995 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2CCOC2)CC1 1749393276 QFAVEXBVNICNLV-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCOCC2)CC1 1749418115 XVZXVHCXJBQUAD-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](CC)C1 1749449394 MVDYCXXZNZYDTJ-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(CCCCC)nc1C 1749507014 PTFCGTDJCCUHHY-NHCUHLMSSA-N 428.625 4.562 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 1749508271 MWYFVPHQPDGVNC-NPPFBWRTSA-N 426.536 4.693 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1csc(CC)n1 1749538323 URJBRIVNVZMGNL-UHFFFAOYSA-N 430.581 4.524 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCCC1(F)F 1749583896 CFZCLTAMQJBUQK-HXUWFJFHSA-N 438.526 4.796 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760132413 IHLZUWXIGZILEP-UZLBHIALSA-N 443.389 4.515 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1760138593 CDMPXJHBPSETFM-JOCHJYFZSA-N 440.035 4.638 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCC1CC(OC(C)(C)C)C1 1760180114 XJOAYQIOLXNAHN-UHFFFAOYSA-N 426.630 4.932 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCC[C@H]1CCCCO1 1760241600 DWFCPCGTYNPZPS-JOCHJYFZSA-N 426.580 4.995 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760347088 BVXJVSWULIIDOO-PMACEKPBSA-N 446.039 4.747 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1760425503 NZTGCFAACGNATH-UHFFFAOYSA-N 427.618 4.706 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCOC1 1760498015 BLVCLCHVEYOADY-GOSISDBHSA-N 426.948 4.853 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H](C)N(C)Cc2ccccc2)o1 1761754025 HAHCPTGHEGWWQE-FNZWTVRRSA-N 446.599 4.887 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(C)CC1 1771110001 CXNWFDUBJMPXKZ-UHFFFAOYSA-N 439.560 4.979 30 10 IJEE O=S(=O)(c1cccc(-c2csc(NN=Cc3cccc(Cl)c3)n2)c1)N1CCCC1 1772724491 XZZMKBVLPHRQRN-UHFFFAOYSA-N 446.985 4.694 30 10 IJEE CC(C)(C)c1ccc(NC(=O)COc2cccnc2NC(=O)c2cccc(C#N)c2)cc1 1858713947 QLXQBTHXUPMJLI-UHFFFAOYSA-N 428.492 4.521 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1)c1c(F)cc(F)cc1F 1862457729 WGPZBGJWAXXPHV-HXUWFJFHSA-N 431.410 4.721 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(N(C)C)cc1 1862460357 VOODDEQUGWPJGP-FKIZINRSSA-N 432.442 4.547 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C(=O)O)cc1 1862477598 NTHDYSVTSUCNAJ-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 1862488774 ICIDAGSUVDOULQ-HSZRJFAPSA-N 447.462 4.632 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862534013 QFGJSDWALIHXDU-OAQYLSRUSA-N 432.432 4.529 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@H](C)O)cc1 1862545973 MSUHXQRUZXROJN-XDHUDOTRSA-N 433.548 4.648 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)c(O)c1 1862549498 QBZBJDJKKNBPPT-CMJOXMDJSA-N 435.520 4.656 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc2cc[nH]c2c1 1862629537 YBDGRIUILIHSPX-QFIPXVFZSA-N 432.476 4.521 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)CCCN2C 1862657147 ACDQDBSKLJUXQX-XMMPIXPASA-N 426.516 4.820 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1O 1862665710 MNLBZTKCDMJBOM-HSZRJFAPSA-N 447.487 4.896 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862669091 NXPRSHMMZHPQBM-HXUWFJFHSA-N 447.453 4.790 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2F)cc1 1862688642 XWJIIPNGFGRACS-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccco2)c1 1862706916 JGUNSLPDGRIEKJ-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F 1862736522 ZKUGJIAGJSIUMU-MMACOIQUSA-N 438.455 4.891 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1Cl 1863102481 VKXOJBAHYIXNLX-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE CCCCCCCCCCNC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1 1868195635 XKWDVSBDVQWZLN-GOSISDBHSA-N 436.398 4.741 30 10 IJEE CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@@H]1c1ccccc1 1868333829 VNEUBPQUCOKYTD-JOCHJYFZSA-N 426.568 4.882 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CN2CCc3ccccc3C2)cc1=O 1870412578 CSLASFSHCSLKDW-UHFFFAOYSA-N 448.611 4.722 30 10 IJEE CCCCCCCCn1cc(OCCCc2ccccc2)c(=O)cc1CN(C)CCO 1870688107 MAACXUGROBZKKC-UHFFFAOYSA-N 428.617 4.645 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CNc1ccccc1 1871172608 WFRQWBBGBDQMIB-UHFFFAOYSA-N 431.536 4.787 30 10 IJEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871429499 QAYNIWQKTYXVOR-BKUYFWCQSA-N 439.464 4.878 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)OCCOc4ccccc4)c3C)C2=O)c1 1871462335 OXYFJYUKVTXTAB-JLPGSUDCSA-N 444.483 4.921 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872298889 WYKOHMMCHNLCFB-SFHVURJKSA-N 441.018 4.940 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1872303808 JSYCUWQLVXYMCW-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCc2cnc[nH]2)C1=O 1873120910 KGHZCNKHUZTLRY-UHFFFAOYSA-N 436.600 4.608 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873406803 RRSSYGAUSGLUMM-UHFFFAOYSA-N 427.891 4.646 30 10 IJEE Cc1sc(C2=C(N)N(c3ccc(C(F)(F)F)cc3)CC2=O)nc1-c1ccc(F)cc1 1873530027 WUDKXTYQWXKCDH-UHFFFAOYSA-N 433.430 4.993 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874236768 ZIYYSSDYFQUDLT-HYARGMPZSA-N 441.513 4.548 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCC2)cc1 1874497037 QVEQCUPVJMXYFN-ZMOGYAJESA-N 430.537 4.677 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1Cl 1874636106 JUVBPYJIXTYULI-UXBLZVDNSA-N 425.868 4.533 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1 1875193226 XZWJHWHYVUOSCP-GORDUTHDSA-N 429.734 4.621 30 10 IJEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NCCCCCCCCCC)ncnc21 1875229349 VZDBNJONDKPDGU-UHFFFAOYSA-N 440.636 4.558 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(F)cc1I 1922088610 IZJIVITYYKXLHY-LJQANCHMSA-N 425.285 4.854 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1937852392 MTHKYOXNESHBJO-ZFWWWQNUSA-N 447.167 4.552 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 1950071776 LOYHRWABUMAVIB-HOSQHVHZSA-N 431.508 4.859 30 10 IJEE C#CCC1CCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC1 1984723815 CWGSUKQTZZQRQD-AREMUKBSSA-N 444.575 4.812 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCCCC2 2017322543 CCTOGSBLOUFEKU-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 2023567070 VLWREAFIXVEMBE-QYWGDWMGSA-N 436.557 4.900 30 10 IJEE CC1([C@H]2CSC(=Nc3ccc(I)c(Br)c3)N2)CC1 2033117019 ZVQURAUXZALQFL-LLVKDONJSA-N 437.144 4.546 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048495372 AVZJXYWFCCFCIC-IRXDYDNUSA-N 430.770 4.621 30 10 IJEE CCOc1ccc([C@@H](C2CCC2)n2nc(CC)c(C#N)c2I)cc1 2080077593 HBJCQPAYRSMTCV-GOSISDBHSA-N 435.309 4.710 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCNc2ccc(C#N)c(Br)c2F)C1 2106043273 UHSIDDXZOUPACY-GXTWGEPZSA-N 426.330 4.955 30 10 IJEE C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2118155888 DQFYOZTVYCZFQB-QWHCGFSZSA-N 426.330 4.684 30 10 IJEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1ncc(Br)cc1C(F)(F)F 2137382643 CPLDGWBHGIWOBO-NSHDSACASA-N 439.272 4.959 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174568116 MQCCOXFENPAUOO-HNAYVOBHSA-N 436.394 4.836 30 10 IJEE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cnc1C#N 2174712237 MXLJUJSELLHAJW-OAHLLOKOSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181102309 DDVXCYSWPJKKBH-HNNXBMFYSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1C#N)C1CCCCC1 2181107159 DLQMEMTWJYHWAY-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(Br)cnn2CCC)C1 2183006014 FVEZWMSXDFKWRB-QGZVFWFLSA-N 441.414 4.567 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2cc(Br)ccc2Cl)C3)OC1(C)C 2194121746 XATSVVOXSQWPKU-HXPMCKFVSA-N 440.574 4.801 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2ccc(Br)c(F)c2F)C3)OC1(C)C 2194188900 TWTGNOBPRJYXHC-DJJJIMSYSA-N 428.126 4.786 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2235749830 OHTJWXDWUOTEDZ-JSFADZTLSA-N 435.406 4.670 30 10 IJEE C#C[C@]1(Oc2ccnc3ccc(Br)cc23)CCCN(C(=O)OC(C)(C)C)C1 2285318980 BBVHKITVBPDOKI-NRFANRHFSA-N 431.330 4.779 30 10 IJEE C=CC[C@]1(COc2ncc(N)c(C)c2Br)CCCCN1C(=O)OC(C)(C)C 2287843020 VYVPJHBXMVYJIJ-HXUWFJFHSA-N 440.382 4.849 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCN)c1ccc(Br)c2cccnc12 2293304315 HCDYCUKTIWIMCB-QFIPXVFZSA-N 427.342 4.787 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2296219048 KLRCWBACYCAFTB-DFQSSKMNSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C 2296223154 ZHAROWBFEIQYTP-JXFKEZNVSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2cccc(Br)c2)CCC12CCC2 2296274643 VUVHKTVLXZSQJS-IEBWSBKVSA-N 433.390 4.698 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)Cc1cccc(NC(=O)OC(C)(C)C)c1 2296288010 BKIJWRQGKOHNDY-IBGZPJMESA-N 429.358 4.978 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC 2296289414 RJZUGJFSKGJBMA-XUVXKRRUSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2296293238 HJMUGPWDLUSRJS-ILZDJORESA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@@H](N)C#Cc3ccc(Br)cc3)c2C1 2296300853 NFYKYYRCTBSKBE-FQEVSTJZSA-N 427.342 4.751 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C(C)(F)F 2296310946 PTMOQNCEDDDZPV-DLBZAZTESA-N 445.348 4.717 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2296311389 WPRRCUYTQUGLAG-DENIHFKCSA-N 435.406 4.862 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(F)cc1 2314477075 AQTNJCQEGSIXAC-DEOSSOPVSA-N 436.527 4.536 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)ccc3C2=O)cc1 2323896494 MGYNREOAAYJPDO-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1OC 2324111212 WOIDAAQQDRVPFU-UHFFFAOYSA-N 443.499 4.584 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCC 2325648522 UTGNCDOKZAKHFC-UHFFFAOYSA-N 432.860 4.657 30 10 IJEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2F)cc(Cl)c1OC 2326264529 WPWZTCBKNFFOCX-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2326783834 MJTWQYPKJJRTRY-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc[nH]1 2330055487 KOFMVTCGMJYNLL-INIZCTEOSA-N 448.527 4.510 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1[N+](=O)[O-] 2331434392 UYUSGHSRYSSHDP-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)C3=NNC(=O)CC3)c(Cl)c2)c1C 2331646717 ZMASZDAPEKLJRH-UHFFFAOYSA-N 438.911 4.641 30 10 IJEE CC#CCN(C[C@@H](NCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 2337920507 GMMRARZGLOSROF-OAHLLOKOSA-N 431.321 4.638 30 10 IJEE CCN[C@H](C#Cc1nccs1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2338227748 REUNZWQFBDHRIB-MRXNPFEDSA-N 436.375 4.955 30 10 IJEE CC[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511751 GVAQHQSWPUMNRS-KSNOWIBYSA-N 434.433 4.547 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2339601969 DJAXNGILUIXEFT-NTCAYCPXSA-N 443.397 4.976 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3cccc(Cl)c3Br)C2)OC1(C)C 2342557925 LOHUUWATXJUHHQ-GOSISDBHSA-N 428.563 4.801 30 10 IJEE COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)c1 9731787 OGRBSSNCPVYTOR-QFIPXVFZSA-N 430.508 4.620 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)c1 9925689 MFZGYIGCZSHSQV-GOSISDBHSA-N 432.314 4.824 30 10 IJEE COc1ccc(Cl)cc1NC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCC[C@H](C)C1 14160235 HTVSEGMUJNKXAX-ZDUSSCGKSA-N 447.008 4.652 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(OC)c2OCC)cc1 21233639 YPKNOYACNGDMFP-GHTZIAJQSA-N 449.547 4.887 30 10 IJEE Cc1c(C(=O)c2oc3ccc(Cl)cc3c2C)c(O)n(Cc2ccccc2)c(=O)c1C#N 38619832 ZOTOYOBNWVWJJQ-UHFFFAOYSA-N 432.863 4.721 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1OC 41289408 RNFGLTPJKGEFHR-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4c(OC)cccc4OC)c3C)C2=O)c1 41289909 XPKLNGVYMIUMSY-HMAPJEAMSA-N 446.455 4.856 30 10 IJEE CCc1ccc([C@H]2/C(=C(/O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 102542362 AVQZMMAASMFSJC-MYXKAAJQSA-N 442.515 4.583 30 10 IJEE C=C[C@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 105002810 IFLVZUKRBYZXMF-IGKIAQTJSA-N 447.579 4.891 30 10 IJEE O=C(Oc1ccc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1)c1cccs1 169911375 GXEVQFQSXROWIS-HAHDFKILSA-N 434.546 4.515 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@H]3c3ccncc3)nc2c1 170027032 MMBQJOLNOKZAII-JOCHJYFZSA-N 449.470 4.531 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC)cc1 170033095 WRZSADFBJCFINU-QFIPXVFZSA-N 441.499 4.538 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2F)s1 170073054 FIQDJTIBKZQDFI-SFHVURJKSA-N 448.479 4.558 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100670 LDNNQVZPESTSFA-FQEVSTJZSA-N 437.835 4.753 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)c(OC)c1 170140128 LTHSDOJKWCDESO-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(C)c1 170144851 WDRLYTMXBGOVAG-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccs2)c1 170154006 GHUSECLGJGYPLJ-NRFANRHFSA-N 435.501 4.857 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccco2)cc1 170289072 ACEVOEZCQWKVQQ-JOCHJYFZSA-N 433.460 4.865 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(Cl)cc2)c1 170374579 IJWUBBSRCSVSGK-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1ccc2[nH]cc(C3CCN([C@@H](C)C(=O)Nc4sc5c(c4C#N)CCC5)CC3)c2c1 195652062 CFZZIJKZTBANBB-HNNXBMFYSA-N 448.592 4.805 30 10 IJEE CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 218685898 GBJDEOLKLVRBKO-GFCCVEGCSA-N 440.550 4.676 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cc(Br)cc(OC)c1 317331633 DUKXIPZKUGWAEV-UHFFFAOYSA-N 425.120 4.844 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cc2c(cc1Br)OCCO2 426124224 CEFTZIXOEMPDNQ-SNVBAGLBSA-N 436.693 4.628 30 10 IJEE CC1(C#N)CCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)CC1 509418567 RKQJKGDJCULHEK-IBGZPJMESA-N 431.305 4.861 30 10 IJEE Cc1c(NC(=O)C[C@@H](CC#N)c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 516494596 PMTQNHKVIRFRHI-GOSISDBHSA-N 427.430 4.680 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1Cl 537103659 JVVGCVKMNCLLJQ-OAQYLSRUSA-N 449.917 4.884 30 10 IJEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549669771 NYWJMZUXDXUBAT-OAQYLSRUSA-N 448.958 4.522 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)Cc1c(C)nn(-c2ccccc2C)c1C 576005748 BFANMLRMNVHQMB-UHFFFAOYSA-N 441.583 4.587 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 719505902 PVYAHLKKHBFJBR-JKSUJKDBSA-N 429.786 4.540 30 10 IJEE C=CCC1([C@H](Cc2ccc(F)c(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 722905380 FZENBYZDENAHNV-KRWDZBQOSA-N 427.358 4.532 30 10 IJEE N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)CCN1C1CC1 732647249 AWNMYAIVKFWNKB-FLXZHSAZSA-N 440.572 4.595 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1cccc2ccccc12 733196417 AYELBMOPTWDECG-HSZRJFAPSA-N 441.556 4.501 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 735337751 AUMOLQAAMZWMAO-UHFFFAOYSA-N 444.878 4.847 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1C#N 752195879 KALVKQPUUZDRQE-HZPDHXFCSA-N 433.386 4.767 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1 778576852 MEBXOJBJJNMGNI-RUZDIDTESA-N 428.532 4.855 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cccc(COC(C)(C)CC)c1C)c1ccc(Cl)cc1 810471995 AHSTYEFHPGTNPZ-FQEVSTJZSA-N 426.944 4.783 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(F)cc1 812909470 GRQANIPELQEYJL-RTWAWAEBSA-N 434.433 4.986 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc(F)c2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084006252 PNHMVYJPUHAFIM-UHFFFAOYSA-N 442.564 4.679 30 10 IJEE O=C1C(=NNc2ccc(F)cc2)c2cc(Br)ccc2N1CCc1ccccc1 1084416587 MAAZPNAOFYPWBU-UHFFFAOYSA-N 438.300 4.994 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC)c1ccccc1 1124455854 VQTHIRQUTGZVKQ-IBGZPJMESA-N 442.581 4.558 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)cc1OC 1127225000 SNQABMREMRATNQ-GXDHUFHOSA-N 447.487 4.617 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1129609554 XBQFXOGZYWHRAL-IBGZPJMESA-N 428.326 4.817 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc(F)cc1 1129716348 DERXZCJBWCMTER-LJQANCHMSA-N 425.257 4.880 30 10 IJEE CN1C[C@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc2C1=O 1130125786 CTUMTPWVBZRVRJ-HNNXBMFYSA-N 448.338 4.784 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CC2(C)C)c1 1131467389 YLAAGSBWFKVKFN-SFHVURJKSA-N 447.000 4.839 30 10 IJEE C=CCCC[C@@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccccc1 1132946375 QBWGEPHYJORDHA-LJQANCHMSA-N 431.319 4.803 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)C(=O)OCC 1133157176 GYLDSXKVEDKXGO-SFHVURJKSA-N 427.526 4.504 30 10 IJEE COC(=O)C[C@@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1134885578 HVQLGEOMNMVBBK-OAHLLOKOSA-N 437.311 4.898 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 1138221701 RPUDMXPKFYPBPA-IBGZPJMESA-N 446.334 4.597 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1143720925 ZRWOFBAIWSRFTE-XMMPIXPASA-N 438.531 4.855 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)CCc3nccs3)c2C#N)C1 1168222326 GYGHOWICHFAIHI-OAHLLOKOSA-N 430.643 4.730 30 10 IJEE C=CCCn1cc(C(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)nn1 1182482882 RJYYUCNCLIKNSE-LJQANCHMSA-N 443.473 4.780 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCCc1ccccc1 1186395602 MRRKFMQVWUQMNG-UHFFFAOYSA-N 426.351 4.539 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1200402337 GGFWZXZXNXLHPX-WOJBJXKFSA-N 441.572 4.590 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1203662839 XSIRSGSHCIEBFC-QGZVFWFLSA-N 430.348 4.820 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1F 1252478591 DNQSPAIMYYFPGN-RBUKOAKNSA-N 440.824 4.955 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1264834050 LWZQIKRZQBOLMA-UHFFFAOYSA-N 431.536 4.680 30 10 IJEE C=CCN(C(=O)c1cc(Br)cc(C)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1269213974 CVXYLAVKRKLFJD-OAQYLSRUSA-N 444.369 4.869 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1286277502 DHIVJVMWGPEYEF-LSDHHAIUSA-N 432.952 4.973 30 10 IJEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1286321738 UPSFEQPLXHRGRJ-GOSISDBHSA-N 435.601 4.503 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1286345240 HCEPVHKJWVYVLB-FQEVSTJZSA-N 449.624 4.999 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286591241 IGQIRTLHSVFSNI-QHCPKHFHSA-N 447.583 4.999 30 10 IJEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286631976 BXRSTCQEDMCIEF-LJQANCHMSA-N 427.980 4.818 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN(C)C2CCCC2)CC1 1286638052 SVFRRULFPOQVLG-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1286648498 KENMZMACAYIPBO-HXUWFJFHSA-N 425.602 4.763 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(OC)CCCC2)CC1 1286654618 HTEJNYLLYMIQOV-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1286713191 CTERVLSNLUWJPQ-KNQAVFIVSA-N 441.620 4.559 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCc1c(C)noc1C 1286739029 MPBWCWOPWAYBMF-UHFFFAOYSA-N 447.539 4.895 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccco1 1286742736 OKFMYMFICWSKFA-UHFFFAOYSA-N 430.899 4.699 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCSCC(C)C)C1 1286810122 YHOXCIFGQLGRFH-GOSISDBHSA-N 425.602 4.597 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS[C@H](CC)C1 1286826056 VGMQDJVWTIFVBC-GOSISDBHSA-N 440.642 4.586 30 10 IJEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CC1 1287042627 FCLNTLCBVCIYOJ-UHFFFAOYSA-N 441.004 4.500 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1 1290031981 BGLZRDGXDJKASX-UHFFFAOYSA-N 442.006 4.640 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)CCOc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 1297132706 CUSSUZNUUHJXDD-UHFFFAOYSA-N 438.742 4.636 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1300564797 HGVAHWNDWBDQRL-IRLDBZIGSA-N 439.003 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@H](C)C1 1300797962 IUJMBWCRQJLXLY-DRSNIGMVSA-N 443.389 4.515 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1300937009 GGQBHBFGRMKCNE-GOSISDBHSA-N 433.394 4.843 30 10 IJEE C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1300952121 MBSZUSQHKKQCBK-QGZVFWFLSA-N 441.567 4.524 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1300983372 IEMDNMHKYSZZKO-AUSIDOKSSA-N 433.556 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(C)C)CC1 1301138746 FAPCXOOSIQFARD-UHFFFAOYSA-N 447.631 4.716 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1301211806 NBAAAKOTTVINIF-NRFANRHFSA-N 446.599 4.592 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)Oc1ccccc1 1301279177 YGWZXWDIWAUZSY-CQSZACIVSA-N 433.375 4.859 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCN1CCCC[C@H]1CC 1301342022 XGLPLFUYROKPSK-HSZRJFAPSA-N 434.632 4.904 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1301348684 GSRAROCECVXABJ-OYRHEFFESA-N 437.632 4.626 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CCc1nccs1 1301357299 MUGILFRCIUEECI-UHFFFAOYSA-N 437.594 4.907 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@H](C)C1 1301396805 FNGFYVBWEKZIPL-AQNXPRMDSA-N 429.609 4.965 30 10 IJEE CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 1303313427 GEJYHYBUOAAUJF-QFIPXVFZSA-N 438.572 4.601 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1307281361 PSESZAMFFJDEBX-PWRODBHTSA-N 448.677 4.589 30 10 IJEE C#CCN(C(=O)Nc1ncc(CCC)s1)[C@@H]1CCOc2ccc(Br)cc21 1310485569 NQGCTPJGIDDHJM-MRXNPFEDSA-N 434.359 4.849 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1)[C@@H]1CCCc2ccccc21 1312252598 KCZOQXMEXLOQIA-ILBGXUMGSA-N 432.564 4.775 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 1351263289 IPQYWTQQQZTCKG-UHFFFAOYSA-N 425.422 4.923 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)c1 1352431390 ZLMHZIVLYHGZOH-UHFFFAOYSA-N 449.475 4.870 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CSCN1C(=O)CCCC)c1ccc(C(F)(F)F)cc1 1357299029 YLYIHGNPPUKPFG-ROUUACIJSA-N 428.520 4.921 30 10 IJEE C=C(Cn1c(-c2ccc(Br)s2)nnc1N(C)CCCOC)c1ccccc1 1359138337 QXZGBFUZAXCOIT-UHFFFAOYSA-N 447.402 4.955 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@](C)(CC)C1 1359211965 VFWWRAAAAWPGMO-OAQYLSRUSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@H](c1ccsc1)N(C)C 1359260636 KCWYDPCDZSNUAP-NRFANRHFSA-N 425.577 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1nccc(C(F)F)n1 1359262392 RWRHAQZWGONWTR-UHFFFAOYSA-N 442.495 4.877 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCCN1CCc2ccccc21 1359275767 FHYBVOIGYIAFTH-UHFFFAOYSA-N 433.600 4.857 30 10 IJEE CC(C)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N)c1cccnc1 1359664356 DIMXTROLEIFJTP-AUSIDOKSSA-N 441.583 4.923 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(OC(F)(F)F)cc1Br 1360572169 WKHCLSSBQBANCS-UHFFFAOYSA-N 430.220 4.843 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 1434998889 XCWPPYKBLGKQMW-MSOLQXFVSA-N 433.277 4.815 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)c1 1435027257 HPEJERICLWEJBF-VWNXMTODSA-N 433.548 4.728 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cc(Br)cc2cccnc12 1436520025 AZRLBNMCZZGURX-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C=CC1(CC(=O)N[C@@H](COc2ccccc2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1443685931 GTEIKANSXNUMHL-QFIPXVFZSA-N 436.552 4.736 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C 1457461191 FDNHMKWUKBAPCL-UHFFFAOYSA-N 444.494 4.893 30 10 IJEE CCN(CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 1459768406 CKBJIOWHQJHQBR-FQEVSTJZSA-N 427.548 4.933 30 10 IJEE C#CCN(Cc1cnn(-c2ccccc2C)c1)[C@H]1CCOc2ccc(Br)cc21 1461991753 ZPQUGUGMUNPMGW-QFIPXVFZSA-N 436.353 4.902 30 10 IJEE C=C(C)C[C@H](NC(=O)c1sc(-c2ccc(C)c(C(F)(F)F)c2)nc1C)C(=O)OC 1462161123 FCUYZRQEXUYZAS-HNNXBMFYSA-N 426.460 4.683 30 10 IJEE C=C[C@@H](CC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1465423620 WPHWICOGYLBEEJ-LIRRHRJNSA-N 431.376 4.931 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F)c1ccccc1 1469468209 JXWYSELCPWMSDK-AZUAARDMSA-N 436.474 4.794 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2C)CC1)c1ccc(Br)cc1 1470662789 IMNCLRQZISKDJO-IBGZPJMESA-N 446.776 4.617 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 1471540093 JDNDPCRLJYDPIO-UHFFFAOYSA-N 448.593 4.555 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C)c1ccccc1 1475627604 VRHKEGHMXYFYES-WZONZLPQSA-N 426.582 4.923 30 10 IJEE C=CCC1(NC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)CCCCC1 1476338064 ZWMAHCWITXYNFL-SFHVURJKSA-N 428.577 4.864 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C)c1ccc(Br)cc1 1478491453 CRVZAJCHNDJXKC-HBMCJLEFSA-N 441.369 4.807 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(Cl)c1 1507803574 HSWXNYISYREJCT-NZQKXSOJSA-N 437.975 4.535 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1507881340 NCOQEVZHLUYEGU-JQVVWYNYSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(Cl)c2C)CC1 1507898197 PGZDIROJRPDFBE-XMMPIXPASA-N 445.007 4.731 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1nccs1 1507938651 BCBJPIUHUKBJBA-UHFFFAOYSA-N 436.354 4.906 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 1514993008 DUDWLWPCJZTIGJ-UHFFFAOYSA-N 426.472 4.616 30 10 IJEE CCCOc1ccc(Cn2c(N3CCC(CC#N)CC3)nnc2C(C)(C)C)cc1OC 1515174244 CGNQFCWFTZBZEJ-UHFFFAOYSA-N 425.577 4.551 30 10 IJEE COc1ccc(CCn2c(C3CCC3)nnc2N2CCC(CC#N)CC2)cc1OC(F)F 1518221110 GRZYOUNREZNKFF-UHFFFAOYSA-N 445.514 4.528 30 10 IJEE C#CCOc1ccc(CNC(=O)c2c(F)ccc(C(F)(F)F)c2Br)cc1 1521873635 SMVCZBWSJFDYSX-UHFFFAOYSA-N 430.195 4.549 30 10 IJEE C=CCC1(C(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)CCC1 1527548516 JAXXKQOGDZTYTE-HXUWFJFHSA-N 442.556 4.928 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(Cl)cc1Br)c1ccc(Br)cc1 1528498530 XEZLCDJFWZJWRR-MRXNPFEDSA-N 441.550 4.898 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccccc1 1530132850 FLDQGGHEZGGLSD-FQEVSTJZSA-N 430.485 4.652 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1535468340 PIQRCYOLFRKNKV-BPAFIMBUSA-N 435.738 4.657 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](C)CN1Cc1ccccc1 1535469874 DMBYOJLXHXGOAW-FCHUYYIVSA-N 439.559 4.872 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1535483289 HSVKOBBFDXPDDF-KSZLIROESA-N 438.243 4.942 30 10 IJEE C=CCC(C)(C)C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1537829234 FGYZNNCWMDNTTJ-UHFFFAOYSA-N 431.330 4.668 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCSC(C)C 1538985116 WLENDJCWKSYTMY-CYBMUJFWSA-N 441.826 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCO[C@@H]1CCCC[C@H]1C 1538993235 HFYOJCLYZLNPGR-FUHIMQAGSA-N 445.405 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1csc(CC)n1 1539031299 YPMSWMWVBWMDLW-QGZVFWFLSA-N 437.613 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(CC)s1 1539548764 VKZFQSOGAFDUPF-XMMPIXPASA-N 436.581 4.627 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539613125 VUPSJLOYLSKRRQ-LHUKNYEISA-N 437.426 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1C(C)C 1539665812 FLOBTDUEEBZAJB-LEWJYISDSA-N 434.588 4.855 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](CCC)OC)CC1 1539835629 FVIWFZOYOPAIBP-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1539855524 YEWCPFDIUDVWKL-GOSISDBHSA-N 445.633 4.590 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539859823 WHPZQPUAVMSKKF-IEBWSBKVSA-N 433.021 4.931 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(SC)CCC2)CC1 1539874680 ISZJBCSHHNMMQE-UHFFFAOYSA-N 428.602 4.650 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2sccc2Br)CC1 1539887666 FDVHTOAMHMPEBB-MRXNPFEDSA-N 437.407 4.794 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCCN(C2CCCC2)CC1)c1ccccc1 1539946998 GXYDYWMJXACWEN-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCCCC2)CC1 1539973785 CXZHJKVOXUOQEZ-UHFFFAOYSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cscc1C 1540126790 LIQHVPZSVLDPRR-UHFFFAOYSA-N 444.564 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(C(F)(F)F)c1 1540143465 YIFRLWJKMCTJPW-UHFFFAOYSA-N 444.486 4.989 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(F)(F)C1)C(C)C 1540148100 REXLQXDYCCQLMD-FQEVSTJZSA-N 433.522 4.628 30 10 IJEE C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1)N1CCCCC1 1541819245 ATVCNGBSRWIRMN-VQTJNVASSA-N 432.572 4.872 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(CC)(CC)SC 1545537130 AMZQHSBZTDPMRF-IBGZPJMESA-N 440.661 4.912 30 10 IJEE C=CC1(CC(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1546118982 QZNYWDKQSPLUGN-OAHLLOKOSA-N 426.479 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 1556399284 IKLFELVUCXTYDQ-OZXSUGGESA-N 429.564 4.926 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)C1 1557241640 XNQZQIXDASWBRI-AWEZNQCLSA-N 434.355 4.584 30 10 IJEE C=CCC1(O)CN(C(=O)CCc2c(-c3ccccc3)[nH]c3c(Br)cccc23)C1 1558316068 FZXJMMSEOSYXAU-UHFFFAOYSA-N 439.353 4.679 30 10 IJEE C#CC[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 1558991156 HGJWVVQNPRCJDS-LBPRGKRZSA-N 433.722 4.976 30 10 IJEE C#CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)[C@H]1CCc2ccccc21 1559499131 JBHGUYWQVLBLPS-QHCPKHFHSA-N 426.564 4.731 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CC)C[C@@H](CC)c2ccccc2)cc1 1562198005 YYJYFEVGHZHQRK-LJQANCHMSA-N 429.586 4.541 30 10 IJEE CN(C)CCOc1ccc(CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)cc1 1562811641 BZPVFIINIAODDR-UHFFFAOYSA-N 446.576 4.972 30 10 IJEE C#CCN(C(=O)NCC1(COC)CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1564853575 XDMOGPKIQCZHLJ-LJQANCHMSA-N 449.389 4.514 30 10 IJEE C=CCc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cc(OC)c1OC 1566277373 VLWIXSUUAZJWBV-OAQYLSRUSA-N 437.561 4.870 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1568787835 RTJSIMXRFYBSKN-HXUWFJFHSA-N 438.527 4.576 30 10 IJEE C#Cc1cccc(CNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)c1 1585015628 NSVSRVOMWDHXMW-UHFFFAOYSA-N 442.316 4.971 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(OC)CC1 1587705336 BHQZRRLSVMQNJC-DVECYGJZSA-N 428.552 4.756 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1587807415 CQZGBDJYDGRYBQ-SIKLNZKXSA-N 442.629 4.808 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1588193536 HBHUXPYPJKPQFJ-ZJSXRUAMSA-N 444.579 4.996 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1588292909 GJUOGMLVCIJDOA-OFNKIYASSA-N 431.584 4.794 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C/C=C\c1ccccc1 1588386516 PQFLQWPBKPADGV-KAMYIIQDSA-N 449.599 4.566 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CCCOc1ccc(F)cc1 1589528173 CZURGBUNRFDMHL-SIKLNZKXSA-N 428.552 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2C)C1 1589547872 WQMMAQAVGQBYGY-FJIJXJHWSA-N 438.616 4.734 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1593735407 FTEDMGGDGXCFND-OAQYLSRUSA-N 434.588 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1594064518 OSXPPWVTZZDCTC-LJQANCHMSA-N 444.023 4.884 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CCC(N)=O)CC1 1594698170 LWIGTHBRLUVRCP-UHFFFAOYSA-N 436.387 4.700 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC1 1595148992 GBTVHYVKWAFOGE-UHFFFAOYSA-N 432.597 4.557 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 1597538315 MZWCTEZATCNYMZ-HNNXBMFYSA-N 436.961 4.624 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)N(C)C 1611291661 BTHUOUJDTUCVEV-HRAATJIYSA-N 447.002 4.986 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccc[nH]2)nnc1N(CCC#N)CC1CC1 1611910454 DXAFSFBBZQQHOR-UHFFFAOYSA-N 428.462 4.779 30 10 IJEE CCO[C@H](C)c1nc(CN2CCN(c3c(C#N)cnc4c(Cl)cccc34)CC2)cs1 1612054753 FWHIJVXMRLUKMN-OAHLLOKOSA-N 441.988 4.636 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCO[C@@H]1C(C)C 1613811775 DCCBTTCFKJGPRS-NHCICSSKSA-N 439.604 4.609 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1615344542 FGIWVMZLCJORAV-FGTMMUONSA-N 428.650 4.600 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(OCc2ccc(Br)cc2)CC1 1617590865 FWZPECAIRKTADX-QGZVFWFLSA-N 441.369 4.707 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)[C@H]1CCCO1 1622949491 VMPPYSHNZVZHRM-RTBURBONSA-N 446.429 4.652 30 10 IJEE Cc1ccc(Br)cc1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1623285052 HPZDTYFBQHYSMJ-UHFFFAOYSA-N 444.720 4.790 30 10 IJEE C#C[C@@H](NC(=O)c1c[nH]c2cccc(Br)c12)c1ccc(Br)cc1 1628543726 YFKUQFJRNNVMNA-OAHLLOKOSA-N 432.115 4.797 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 1629897259 HYFPXEXXHYIFOO-MOPGFXCFSA-N 449.389 4.640 30 10 IJEE C=CCC[C@@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)c1ccc(C(F)(F)F)cc1 1631195424 SOBJQNMBETWAJJ-RTWAWAEBSA-N 445.485 4.986 30 10 IJEE N#Cc1cccc([C@H](NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)C(F)(F)F)c1 1632877431 UFZIWJAKVSICBX-IBGZPJMESA-N 428.414 4.762 30 10 IJEE C#Cc1ccc(CNC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 1635840117 DAUXMVGVXHTOFU-UHFFFAOYSA-N 447.560 4.992 30 10 IJEE C#C[C@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)c1ccc(F)cc1 1636547807 ICWOFEKGHXOBGZ-NRFANRHFSA-N 431.552 4.617 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1637029002 BETSXUSCKCLYGK-UHFFFAOYSA-N 446.572 4.696 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C[C@H]1CC 1639602592 IDAILTXJMYFIGN-AVIJNYRZSA-N 438.955 4.951 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OCC)nc2sc(C)c(C)c2c1=O 1643465047 VVLSFYBVXILPDR-KRWDZBQOSA-N 446.569 4.666 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4F)c(S)nc3c2)c(Cl)c1 1653073192 UKCKAJHBGPTISR-UHFFFAOYSA-N 449.894 4.701 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1 1666815847 VQLWHFFNLZEFDT-YKSBVNFPSA-N 448.629 4.511 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)Nc1ccc(F)cc1OCC#N)C1CCCCCC1 1669400095 AUKDEYOCVSWZOU-UHFFFAOYSA-N 448.539 4.809 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 1670045619 LVYUUSAYXPATNV-UHFFFAOYSA-N 431.895 4.608 30 10 IJEE C=C(C)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1672920840 WOGLSOXRIAUCGU-UHFFFAOYSA-N 431.558 4.515 30 10 IJEE C=CCN(C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)[C@H](C)COC 1683005898 HKGUEEUXFJGSDA-VQIMIIECSA-N 447.576 4.868 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C)c1ccc(Br)cc1 1683681617 RPXGOJLBJLFHRQ-ORYQWCPZSA-N 427.342 4.603 30 10 IJEE N#Cc1ccc(CNC(=O)NCCc2cc(Cl)ccc2Br)cc1Cl 1685784064 CKPVMOKPGDYLGQ-UHFFFAOYSA-N 427.129 4.669 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1689884376 SSEFPFQEYRUHCW-QFIPXVFZSA-N 436.648 4.568 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(F)c1 1690036911 GILZYJRMEZQCLF-IBGZPJMESA-N 446.595 4.976 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690037560 XWEKKVBQFQENGY-VQTJNVASSA-N 425.458 4.573 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccnc(SCC)c1 1690058749 AJHJEFHYDXGSJS-KRWDZBQOSA-N 439.560 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC=CCO1 1690214658 RHSXIWNOHFXBRZ-XMSQKQJNSA-N 428.989 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N(Cc1cccs1)Cc1ccccc1OC 1690239681 ZLCGQGXLBMDKRJ-NZQKXSOJSA-N 438.597 4.845 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)CCc1ccc(Br)cc1 1690290635 SDWVGLDLJZYHDE-UHFFFAOYSA-N 446.418 4.651 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(C)C)C1 1690299559 XMXQKCQMBDTULC-NRFANRHFSA-N 439.604 4.612 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1ccc(C)o1 1690337556 RNMVDUGWAOAJST-GOSISDBHSA-N 428.920 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1690432351 BOSGEQDWUVEJER-UHFFFAOYSA-N 441.595 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1690436147 LHMHFOFCPCNRDG-XMMPIXPASA-N 429.008 4.670 30 10 IJEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1693676093 DXYIHBFKPUVXPX-MJGOQNOKSA-N 429.515 4.791 30 10 IJEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCCC1 1696758213 ALPXNDKOEQNDCU-QFIPXVFZSA-N 437.588 4.562 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(F)(F)Br 1705481600 JQWCDFXUBABNSY-NWDGAFQWSA-N 443.361 4.577 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](CC)N1CCCC1 1705605651 QETXLDWEARIFEY-OAQYLSRUSA-N 448.640 4.711 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1(C(C)C)CC1 1705616326 CSYNMSWISRDJHH-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)COC 1705712411 SQKRCEJXXUANJN-AWEZNQCLSA-N 425.346 4.532 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@]2(CCCOC2)C1 1705727920 IXGYUIFGWOTSSJ-XMMPIXPASA-N 445.007 4.835 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(C)C)C1 1705734519 RPDBLQUBFVUNJP-OAQYLSRUSA-N 434.588 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1705791599 ZZKSQYWUFDGHMS-UHFFFAOYSA-N 443.665 4.669 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)CCc1ccc(Br)cc1 1705807056 SBCCALCEYXUGQU-IBGZPJMESA-N 447.421 4.970 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1OCCC1(C)C 1705868070 AMWNYYORLAZOBL-IBGZPJMESA-N 428.627 5.000 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1cccc(-n2cncn2)c1 1705868443 OAJHNVKMOPDBDR-UHFFFAOYSA-N 447.612 4.750 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705939151 AIPIQRRHHWXDFE-QGZVFWFLSA-N 437.654 4.547 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1706733834 AAIGXFZOTJKXJI-YLJYHZDGSA-N 430.512 4.503 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1722335878 QDJZZOHFUPENDG-UHFFFAOYSA-N 433.503 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCCSC 1722493976 BCHGXKKOMHGDCX-KXBFYZLASA-N 439.000 4.908 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(SC)CCOCC1 1722502768 VYQCLNIFKDMQSP-SFHVURJKSA-N 448.608 4.872 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1cccs1 1722510961 WDOVJWMORTZAMA-DYESRHJHSA-N 443.642 4.703 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC1CCOCC1 1722520388 LDEYUGFHBOKNCN-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC)C1 1722531839 YVXKYLQQGXRBQV-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722599257 BCIYXORYHAVYLR-SFHVURJKSA-N 429.996 4.648 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC1(OCC)CCCC1 1722656130 WJUREMKYUJKBIW-UHFFFAOYSA-N 442.567 4.754 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCN1CCC 1722659681 ZGSDPMFREVZOJD-ZEQRLZLVSA-N 437.632 4.629 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccccc1OC 1722740466 OVTILWPMSUWROP-CTNGQTDRSA-N 428.602 4.789 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC[C@H](C)C2)C1 1727303028 DIGWVXSGHINOMI-RXFWQSSRSA-N 434.632 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](C)N1CCC(C)CC1 1740729417 GUUWLBZLFJCYNJ-YADARESESA-N 426.008 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCc1ccc(F)cc1Cl 1740733760 QICUPTNKBIUFML-JOCHJYFZSA-N 443.979 4.661 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1Cc2ccc(Br)cc2C1 1740744686 DXLQFPNLMUIHQE-UHFFFAOYSA-N 440.183 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCN1CC 1740766341 FZYCPNKQXZHIGJ-PMACEKPBSA-N 429.584 4.834 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCCc2sccc2C1 1740792546 JKVAHGQYUWJVJB-UHFFFAOYSA-N 444.551 4.754 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCCCCC2)CC1 1740829812 LAQAICKHFHTHAL-UHFFFAOYSA-N 442.629 4.821 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCSCC(C)C)CC1 1740834664 GAOGWMWTNKSNNU-UHFFFAOYSA-N 428.602 4.856 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740872022 WGYOWQJCJIFBPS-OAQYLSRUSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCCC(F)(F)F 1740916599 RWYOVHMNYBCDGQ-IBGZPJMESA-N 433.478 4.926 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740997322 YIYFXWSIGCXGEQ-HLAWJBBLSA-N 444.645 4.958 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C1 1741984096 HFKQHGDVTIYVEY-JOCHJYFZSA-N 436.972 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1748640530 WINOOFDXTHQFLX-SLFFLAALSA-N 441.595 4.526 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1748724027 HPVCUEDJIKKXIN-UGKGYDQZSA-N 447.410 4.989 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCS[C@H](C(C)C)C1 1748727404 REEPZOSRYGKOJN-QFIPXVFZSA-N 426.630 4.801 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1Nc1cnn(CC2CCC2)c1 1749105714 NKKCOTPBENTILK-UHFFFAOYSA-N 441.377 4.826 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2ccc(Cl)nc2C1 1749183233 SOLIIPVRISPOBY-UHFFFAOYSA-N 439.947 4.540 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749252627 TXSKISWTWACRTE-UEXGIBASSA-N 446.979 4.575 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)C[C@H](C)CC 1749264697 CRLCMIXADCBILO-MRXNPFEDSA-N 442.995 4.861 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1749311425 MJWDSRNNKLWVND-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(CC)n2)CC1 1749331507 MWOMFHKWWFZWIG-UHFFFAOYSA-N 438.557 4.517 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nnc(C)s1 1749465122 NJDDREMIVKPQLR-OAHLLOKOSA-N 447.008 4.713 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC(C)C)C1CCCC1 1749749616 NNWJFXIRITWUSX-UHFFFAOYSA-N 428.602 4.998 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC(C)(C)[C@H]1C 1760133910 UFRHVXFHTVBASQ-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1760366547 CHTBVHFUEDHLLT-NHCUHLMSSA-N 444.023 4.852 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760369971 CYOZHQKJEBDANY-OALUTQOASA-N 446.979 4.500 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCSc2ccccc2)CC1 1760390373 JRCYVXCYNYJQTJ-UHFFFAOYSA-N 425.627 4.973 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CSCCS2)CC1 1760397247 PHGYOXWBYTYHAJ-AEFFLSMTSA-N 448.633 4.808 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCN1C1CCCCC1 1760467317 XMBNYGICJNYSEA-QHCPKHFHSA-N 437.632 4.893 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C 1760487021 HMKVZSKFNJHLMF-QGZVFWFLSA-N 430.021 4.727 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(-c3ccc(C)o3)nnc2N(C)C[C@H](C)C#N)cc1 1761767122 HZGMDMNTLPECGQ-JZWVFAODSA-N 433.556 4.919 30 10 IJEE CCOCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1766186362 HLQCLIWTFDLZRG-SFHVURJKSA-N 443.567 4.750 30 10 IJEE CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(C)C)n1 1766762434 DHRABPDYRCUHEP-INIZCTEOSA-N 439.589 4.696 30 10 IJEE O=C1Nc2ccccc2/C1=C1\SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 1772738667 XDXCLDRKLUAOPQ-ARHURHGNSA-N 441.468 4.516 30 10 IJEE COCCCN(C(=O)c1ccc(F)c(F)c1F)[C@H](C#N)c1cccc(Br)c1 1857958360 KRMMMMOLAWLKCR-MRXNPFEDSA-N 441.247 4.610 30 10 IJEE Cc1cccc(OCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c1 1859656935 JVCXWXCJDACKRY-UHFFFAOYSA-N 425.492 4.625 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC)c1 1861067153 RHXRULZXJBCGCU-JOCHJYFZSA-N 440.584 4.522 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(F)cc2F)cc1 1862516842 YNMCWMXGDNYMHF-NRFANRHFSA-N 429.463 4.988 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C(C)C)cc1 1862526105 PAOFNHPWOLXYKB-LJQANCHMSA-N 444.325 4.835 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@@H]2c2ccccc2F)cc1 1862529050 BIWMNEXGGGGOFQ-HSZRJFAPSA-N 438.543 4.698 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc(Cl)c2)cc1OC 1862569108 FUAMAQDPPHLPBF-NRFANRHFSA-N 443.927 4.982 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccc(O)cc1)c1cccc(O)c1 1862589323 IZAGBIFNRODUCT-OAQYLSRUSA-N 435.863 4.530 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1F 1862638933 NIOVFBAYRNXPIZ-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)cc1 1862675004 ZPKUHJSPTSVMNB-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(OC)c2)c1 1862703148 SCCLPWVPCKZUSA-VZPUWSDOSA-N 435.520 4.861 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1 1862775177 AFMGEQOMKUUIHQ-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc4c3CCCC4)=C(c3cccs3)C2=O)cc1 1863110455 PFUQARVBEFZHBJ-UHFFFAOYSA-N 425.513 4.895 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(CCCCc3ccccc3)C2=O)cc1 1863297515 RXDXWCTWMKMVKH-UHFFFAOYSA-N 439.490 4.912 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(CCC2=CCCCC2)C1=O 1863321180 QPMSQXZVDZNEPV-UHFFFAOYSA-N 433.458 4.919 30 10 IJEE CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C#N)nnn2-c2ccc(C(F)(F)F)cc2)cc1 1870145722 MIXTVDMCLLZCJQ-AWEZNQCLSA-N 443.429 4.687 30 10 IJEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1871006978 FDBDAGHTNUZQRG-UHFFFAOYSA-N 445.519 4.712 30 10 IJEE CCCCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H](C)O)cc1 1871254150 OOHYGORZMFAANC-HXUWFJFHSA-N 445.563 4.634 30 10 IJEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)cc1 1871254206 QTSHGYYYQBDKDO-UHFFFAOYSA-N 444.579 4.561 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\c2sccc2C)C3=O)C1 1871355231 YSDPHJSSHAESJY-MOSHPQCFSA-N 426.582 4.865 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 1871373644 BEUZOHZZVZPNPB-NHDPSOOVSA-N 431.400 4.747 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871432615 DZHSHAFGXIALQW-HRVJUDJTSA-N 425.437 4.630 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871434735 VHHULGKWWXRTIM-OYKKKHCWSA-N 443.499 4.623 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(NC(=O)C(C)C)cc2)nc(N(CC=C)CC=C)n1 1871735437 GDKJQIXTLVIGBR-UHFFFAOYSA-N 447.587 4.567 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 1871814607 XVIQWIAVIWPKPY-LJQANCHMSA-N 440.487 4.608 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871883758 LDEKAZMHNPLILD-HNNXBMFYSA-N 441.380 4.814 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872046310 RAPVNAYRNUKDPS-CVDCTZTESA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872371898 LSFWTDMGPBMMER-CRAIPNDOSA-N 434.524 4.677 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1873317365 ZGPKXDASESXYFI-UHFFFAOYSA-N 433.458 4.919 30 10 IJEE COc1cc(/C=N/Nc2ncnc3[nH]cnc23)ccc1OCc1ccc(Cl)c(Cl)c1 1873792700 MYONFXUBXQQLAQ-FLUNURKVSA-N 443.294 4.693 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(OC)cc1 1874209068 ASDVDFHDYCGNJK-HYARGMPZSA-N 443.370 4.800 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SC)c1 1874224801 CXDJMSVMVAPJBF-BUVRLJJBSA-N 440.569 4.528 30 10 IJEE CCOc1c(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCC)cccc1OC 1874263255 OPWFKUDVFXHMPA-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cccc(OCCC)c1 1874293830 WUBZZKZDDPOKGM-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874437291 TZSSTVCHGCBYJC-FSJBWODESA-N 443.504 4.794 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(OCCC)cc1 1874479489 CLFNYIYNXJZSEX-OEAKJJBVSA-N 432.590 4.583 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc(OC)c1O 1874483291 OELAFSLGUNMLRN-WYMPLXKRSA-N 444.532 4.612 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCc2ccc(C(=O)OC)o2)nnc1C(C)C 1874513381 VDXVOMYIWLYELH-YDZHTSKRSA-N 440.525 4.520 30 10 IJEE NC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Cl)cc1Cl 1874573393 LSAVXAIIJPSBCR-ORCRQEGFSA-N 429.097 4.516 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cccc1OC 1874588981 NRNADTHPYUSLLD-VAWYXSNFSA-N 445.943 4.809 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccccc1 1874614214 KYCRRPFJNJDEFE-NTUHNPAUSA-N 435.907 4.940 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c(OC)c1 1874692716 UPOMSYHHPZHNNS-FMIVXFBMSA-N 447.443 4.656 30 10 IJEE CC(C)CN(CCC#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984692826 UXYLOVXWZMCBBM-VWLOTQADSA-N 447.579 4.948 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H](C)C1CCC(NC(=O)OC(C)(C)C)CC1 1991580818 DODQKEURHZFVAL-LMDPOFIKSA-N 425.614 4.519 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 1997335243 KEQGVBSZNXKUGY-VPTLXERWSA-N 434.541 4.748 30 10 IJEE CCc1nn([C@@H](c2ccc(C(C)C)cc2)C2CC2)c(I)c1C=NO 2079904740 SVJJNWAUCSTTPR-SFHVURJKSA-N 437.325 4.981 30 10 IJEE N#Cc1c([C@@H]2CCOC2)nn(Cc2ccc(C(F)(F)F)cc2Cl)c1Br 2080342288 ONEHIWGUTVYWLX-SNVBAGLBSA-N 434.643 4.742 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2081876810 OZAMOUGXKFJXJK-HXOBKFHXSA-N 449.523 4.532 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2cc(Br)cnc2C#N)cc1 2167617638 MCQXJASMCHMWDV-ZDUSSCGKSA-N 431.334 4.914 30 10 IJEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(F)c1Br 2193224558 JTQLCMBFYLOMOX-HOCLYGCPSA-N 442.254 4.935 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2231056909 GCOBPQGUCRYTFE-UHFFFAOYSA-N 448.344 4.871 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1CC1CC1 2233326155 WOOVOGMHUZPJMY-YJBOKZPZSA-N 441.414 4.566 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)c1C 2260793814 JESKGGUDKQKYMJ-JLHYYAGUSA-N 430.354 4.568 30 10 IJEE C=CCCC1(C(=O)c2cc(Br)nn2C(C)C)CN(C(=O)OC(C)(C)C)C1 2266276563 LYRPPKOQOTVRQS-UHFFFAOYSA-N 426.355 4.613 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2c(Br)cccc2C#N)CC1 2269698758 ZEDNLILSBNUBMF-INIZCTEOSA-N 426.330 4.718 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@@H]21 2279684652 NLEGIUHFLDRHIA-UNEWFSDZSA-N 436.350 4.663 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccccc3)ccc2O1 2296088592 GFGDSWNXNSYHBE-AVRWGWEMSA-N 439.511 4.674 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2296218168 BHKRBNGKWBCONP-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2311768370 LOHXXUUQQVEZJN-KSZLKVKMSA-N 446.632 4.572 30 10 IJEE COc1cc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 2314478609 VJXSZEMLBHKKHZ-VWLOTQADSA-N 441.483 4.579 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1OCC 2318414964 JQTYAMQISQWEBK-UHFFFAOYSA-N 440.569 4.996 30 10 IJEE CCCCCOc1c(Br)cc(C=Nn2c(C)nnc2SCC)cc1OC 2321153286 DXUCNYAXPLRVKW-UHFFFAOYSA-N 441.395 4.921 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2ccccc2Cl)c1OCCCO 2322436911 HFTIRSYHINUBEI-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE COC(=O)COc1c(OC)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2323345296 IZVYVJYXEBPHRB-UHFFFAOYSA-N 432.472 4.819 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)NCc1ccccc1 2323896463 KEHHOEOABOTFFD-UHFFFAOYSA-N 445.515 4.604 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCN(c2ccc(F)cc2)CC1 2324035707 AIRZPORCFREFOL-UHFFFAOYSA-N 448.469 4.609 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2325731822 ZSUMZLICXLJPLY-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccccc1F 2325894239 JDSKKJNOWVJSIY-UHFFFAOYSA-N 440.544 4.770 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2N=Cc2ccccn2)CC1 2328142852 LBZHUEICUHKRNN-UHFFFAOYSA-N 442.633 4.638 30 10 IJEE CCCOc1ccc(C=Nn2c(COc3ccc(OC)cc3)nnc2SCC)cc1 2328372011 QQJDREXOBLNZFD-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(O)c(OCC)c1 2328559408 BENCFZUATJJPPD-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc3c(=N)[nH][nH]c3c2)cc1C 2328801340 WYAUHOONFJIHAE-UHFFFAOYSA-N 437.507 4.591 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccncc2)c1 2330625171 DLAKQPCVZBIXHP-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1cccc(Cl)c1)Nc1nccs1 2331059516 KIKMTXWEDLSIJC-UHFFFAOYSA-N 446.989 4.659 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(F)cc1 2331085432 JORLWVFRVLBJDJ-UHFFFAOYSA-N 431.581 4.698 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)c2cncc(C)c2)c(OC)c1 2331356045 IATQGLIFQZFAJX-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c1 2331386579 PDHRMPDFEAVVON-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccc(C)c1 2331406403 JIARGIGOIVBNAB-UHFFFAOYSA-N 430.456 4.890 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccs2)c(C)c1 2331416235 YFSWKUPOPUZGOE-UHFFFAOYSA-N 427.599 4.867 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c(F)cccc2Cl)cc1 2331733896 AEFUGFPFIIYHRY-UHFFFAOYSA-N 443.935 4.869 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1(C)CC1 2339588497 JNEJYFASPGQDJM-SFHVURJKSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339590630 PTTDQZDTFNZJDD-LJQANCHMSA-N 443.397 4.785 30 10 IJEE C=CCN1C(=O)[C@@H](Cc2ccc(Br)cc2)S/C1=N\N=C\c1ccccc1 11565524 WYDJBTQIEVTJIP-BLUIXAOTSA-N 428.355 4.512 30 10 IJEE C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(OC)cc2s1 33271564 ORHHAKWXXIXQQL-QGZVFWFLSA-N 446.532 4.838 30 10 IJEE CC/N=C1/S/C(=C/c2ccc(OCCOc3ccccc3)c(OCC)c2)C(=O)N1CC 33671818 JIMMDGAROLUHEK-FTNPDODUSA-N 440.565 4.855 30 10 IJEE COc1cccc(-c2c(C#N)c(SCc3ccccc3)nc3c2CN(C)CC3)c1OC 40569899 NVBCYVMQEFPJGG-UHFFFAOYSA-N 431.561 4.918 30 10 IJEE CCc1ccc([C@H]2/C(=C(/O)c3ccc(OC)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc1 108948135 UUXFFVGFXUDSBZ-MYXKAAJQSA-N 442.515 4.583 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(C)o1 170100472 JSYKCQPFXZJUGQ-XMMPIXPASA-N 431.488 4.694 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170118215 HDIYNGOZPNESCA-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(N(C)C)cc1 170128881 HRLRSZLANKGIDD-JOCHJYFZSA-N 436.552 4.756 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)cc1OC 170141626 XYPWPJRGHOGNAJ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)ccc1Cl 170181988 RVGFCLBJFFOELD-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)c1C 170225834 NKYGZRBYZUPLJI-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)c1 170271722 OVDNXSDLBBCVPY-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccco1 170284430 PPXDKEMTGMOEKV-NRFANRHFSA-N 435.863 4.959 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1sccc1C 170318956 KYXHBNHUWIFWMV-QGZVFWFLSA-N 435.929 4.715 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(Br)cc2)o1 170402782 UCEIHZJVQNTXMD-QGZVFWFLSA-N 428.238 4.726 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc(Cl)ccc2c1=O 251724558 ZINUTVZVVFQNKR-ZHEXZJMTSA-N 446.016 4.657 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3csc(Br)c3)c2)OC1(C)C 404902984 AKJBKYRFEKRKLM-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE C#CCN(C[C@H](NCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 407566203 HJBONJBROASBOC-AWEZNQCLSA-N 433.749 4.763 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C 439246083 KFDIDGZAMMVMNM-SFHVURJKSA-N 444.539 4.769 30 10 IJEE C=CCN(C(=O)[C@H]1CCCCC1(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 448139180 LRKVLCWSDTVUIL-GOSISDBHSA-N 432.611 4.949 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 473763162 HUNVMVWOFKRYLM-UHFFFAOYSA-N 440.487 4.631 30 10 IJEE C[C@H](N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1F 479522253 AGWBZKZFGHXOCG-BTDLBPIBSA-N 431.227 4.863 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN[C@H](C)C(=O)OC 504752324 DCXYEWBJSCNEGI-POMTYAKBSA-N 445.600 4.815 30 10 IJEE biogenic C=CCn1c(N2C[C@H](C)O[C@H](c3ccsc3)C2)nnc1C(F)(F)Oc1ccccc1 508938557 KQOWUKZUXHVUAE-YJBOKZPZSA-N 432.496 4.620 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)cc2)c(OC)c1 526491644 XFSOIMJUQAGZIT-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC(C)=O)cc1 526803352 WKUJYFSDSFHRAV-OYKKKHCWSA-N 426.517 4.860 30 10 IJEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cccc1OC 526824957 CICPLGBRDBWEPC-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2ccc(Cl)c(Cl)c2)c1 526826291 MRGLPWCPVQXDCQ-YVNNLAQVSA-N 435.336 4.854 30 10 IJEE C[C@@]1(c2ccccc2)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CCO1 558900879 IQILIHXVXDKDSM-MHZLTWQESA-N 435.531 4.617 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2nccs2)C1 558996379 CHORKRKSGBBXOI-YJBOKZPZSA-N 445.976 4.682 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 559025538 CDSFOTMKSBBVTH-YADARESESA-N 445.542 4.963 30 10 IJEE O=C(C[C@H]1SC(=NN=C/C=C\c2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 585657517 ZVFZCPZCPHBJJD-OIDJDCHNSA-N 447.347 4.609 30 10 IJEE N#Cc1ccc(NC(=O)c2cc(O)nc3ccc(Br)cc23)cc1Br 589010073 RKZOMIIAHSBPJF-UHFFFAOYSA-N 447.086 4.589 30 10 IJEE CC(=O)Nc1ccc(O)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 609077561 DSZVQRRYMVTEFX-UHFFFAOYSA-N 435.867 4.707 30 10 IJEE C=C(COC(C)C)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693640480 SKUHILGFEPKGMK-BVAGGSTKSA-N 445.648 4.505 30 10 IJEE N#Cc1ccc([C@H](OC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)C(N)=O)cc1 734555679 BWXKNHMXFHGSJV-YRUATGHUSA-N 434.854 4.661 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)N(CCC#N)c1ccc(F)cc1)Cc1ccccc1 743752378 GDPBFKXEWKCQLS-FQEVSTJZSA-N 425.504 4.598 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1=S 794653863 BEEKKGWJBXLPIH-NVXWUHKLSA-N 426.508 4.718 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 803525802 VELCNUZRTNFBIQ-WIOPSUGQSA-N 444.962 4.952 30 10 IJEE CC(=NNc1c(F)c(F)nc(F)c1F)c1ccc(Br)cc1Br 814744461 VFPDSKGRRMNAGJ-UHFFFAOYSA-N 441.020 4.999 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(C)c(Br)c1C 1124533797 FMBYSOSRPGBCHO-UHFFFAOYSA-N 433.298 4.809 30 10 IJEE CC(C)(C)OC(=O)COc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 1124713452 CHWXFYQSFZQZKC-UHFFFAOYSA-N 449.532 4.578 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1 1124874684 BXUBDRCNLIMLQY-DEOSSOPVSA-N 443.572 4.513 30 10 IJEE Cc1nc(-c2ccccc2)sc1COC(=O)COc1cccc(Br)c1C#N 1125989463 BRCGOWBDAGPYLB-UHFFFAOYSA-N 443.322 4.875 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1 1126520307 RXAOKQFIUMCUDL-AWEZNQCLSA-N 441.450 4.659 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cc(C(F)(F)F)ccc1Br 1133434794 UMJCWOXJFKYJQY-UHFFFAOYSA-N 444.247 4.971 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1OC 1134820876 MVXGYSUMYXUABX-FMPPNVKYSA-N 446.591 4.690 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 1158524777 MPDRVOKCYMSSRW-SFHVURJKSA-N 430.957 4.512 30 10 IJEE CCO[C@@H]1C[C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCCCC2 1169998652 FAZCKSFRXWXMEN-FGZHOGPDSA-N 426.605 4.748 30 10 IJEE C#CCN(C(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)[C@H]1CCCc2ccccc21 1178953138 AHQSFJILBBQPFM-UZLBHIALSA-N 439.581 4.882 30 10 IJEE COC(=O)c1cccc(CN(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)c1C#N 1191254697 BGHJARINCXMCPB-VWLOTQADSA-N 442.515 4.879 30 10 IJEE CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)S(=O)(=O)N(C)[C@@H](C)CC#N 1194233609 HLOYGFBZCFYAPL-HNNXBMFYSA-N 439.940 4.572 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 1206194171 DQZJNSOGUYFFLD-SFHVURJKSA-N 436.325 4.577 30 10 IJEE C#CCOc1cccc(Cl)c1CN(C)Cc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 1207285269 ZVRQYNPANWHJCA-BGYRXZFFSA-N 426.988 4.593 30 10 IJEE C=CCOc1ccc(OS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1 1210161630 UUUXORWXVMDSMO-LJQANCHMSA-N 438.929 4.620 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(Cl)cc1I 1215681402 KOIIPTSBPINYJH-UHFFFAOYSA-N 426.641 4.601 30 10 IJEE Cc1ccc(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(Oc2ccccc2)c1 1230143686 DFRVCRGZAOMCHJ-UHFFFAOYSA-N 440.547 4.686 30 10 IJEE C=C(CNC(=O)N[C@@H](COCCC)Cc1cccc(Br)c1)c1ccccc1 1234589203 KEXKYBBXXPKCKX-OAQYLSRUSA-N 431.374 4.799 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3ccc(C)c(C)c3)CCOCC2)cc1 1264801939 MWSQUFOHZQPSSR-UHFFFAOYSA-N 432.564 4.805 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1286273471 FCLWNIQNDAFBTF-ZVVFGRKBSA-N 442.991 4.549 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCc2cccnc21 1286450148 DDTFLDJYLANHEV-UYAOXDASSA-N 433.531 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H](CCC)OC 1286517438 VJJYXWNNWQAQSH-HRAATJIYSA-N 449.368 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H](C)SC 1286520232 BXSFDSMZIIEAIN-HOYKHHGWSA-N 442.629 4.876 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1286602907 DVMSHNFSXSFVDI-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ncc(C)s2)CC1 1286604238 QIOXTPUPPYWXCZ-UHFFFAOYSA-N 448.596 4.558 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1286608876 VAIOAJYANCAVSP-NRFANRHFSA-N 442.604 4.818 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(F)cn1)C1CC1 1286733455 CIGVYOCYSQAPFI-UHFFFAOYSA-N 446.299 4.584 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CC 1286747529 JOCDIDQKNRNVFW-UHFFFAOYSA-N 448.600 4.611 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC 1286747585 LIHAPXHOVNKNDJ-UHFFFAOYSA-N 444.004 4.625 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1286777348 VWTRLKUAMHLHLH-PMACEKPBSA-N 444.023 4.787 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(COC)CCCCC2)C1 1286805381 SBCAYOSVWMCJMG-NRFANRHFSA-N 445.007 4.977 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2c2ccc(OC)cc2OC)nnc1C(C)(C)C 1286836426 MVBRCGBESQGLFE-LJQANCHMSA-N 430.618 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCCCC1 1300280855 GITCKKUCQYLQSY-GOSISDBHSA-N 437.588 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1300316735 CIHNUPDLWDNXQZ-OAQYLSRUSA-N 446.643 4.566 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1CCOCC1 1300902021 YGQKMQNBPLYMDX-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(N(C)C)CCCC1 1300925069 OGEBIRGAALBWPP-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCCN(C)c2ccccc2)CC1 1301129436 SIYRKFQPUWZTAN-UHFFFAOYSA-N 430.600 4.583 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2([S@](C)=O)CCC2)CC1 1301135840 UJBBMNQKIKVXSI-PMERELPUSA-N 444.670 4.582 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C)C1 1301139550 RJAQVRCUURSTSY-MOPGFXCFSA-N 428.577 4.644 30 10 IJEE C=CC[C@H](Cn1c(N(C)CC(C)(C)C)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301169035 ZJLKCZBGRXGJAQ-BWKNWUBXSA-N 426.605 4.772 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1N(C)CCCC1(C)C 1301278768 QGSAGCDXSZMVFZ-HNNXBMFYSA-N 438.439 4.512 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1 1301354612 DNIZFRHVZVEXSY-BKMJKUGQSA-N 449.574 4.943 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(c2ccnn2C)CC1 1301601301 PKLLJIHMRHRDOL-UHFFFAOYSA-N 436.629 4.544 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCC1CCOCC1 1301602008 LEFDOIGXCAIKCR-UHFFFAOYSA-N 439.000 4.910 30 10 IJEE CC1CCN(CCn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@@H](C)CC#N)CC1 1305105805 FHTBFMLNLLPRBN-IBGZPJMESA-N 440.661 4.746 30 10 IJEE C=CCC(CC=C)C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1306140375 NHSJZSVZBRNYEP-UHFFFAOYSA-N 440.584 4.946 30 10 IJEE CCCCn1cc(Cn2c(CC3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)c(C)n1 1306719141 HVPXPZGBOHFJAL-UHFFFAOYSA-N 445.615 4.872 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2C)C2CCC(C)CC2)c1 1309642392 DETMUCXSLOBDKN-IWRZYZMASA-N 440.609 4.757 30 10 IJEE C#Cc1cccc(CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)c1 1311895852 CCOGGBFPPUJGSD-QHCPKHFHSA-N 435.568 4.857 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CCCC1 1315278147 HIKNGQXYGJVRNZ-FQEVSTJZSA-N 437.588 4.560 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 1351336313 OGJCPLCZILUHEM-JOCHJYFZSA-N 432.973 4.965 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCc1sc(C)nc1C 1359068225 SCJOBZIWFNZMTC-JOCHJYFZSA-N 425.989 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)N[C@@H](C)CC 1359108624 VUGFIGUZKARBLU-SFHVURJKSA-N 434.588 4.509 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)N(C)C2CC2)CC1 1359173484 HGOGBFVGQJGJOZ-FPOVZHCZSA-N 437.632 4.920 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1359196081 XCJJZLMJZMBGOU-DEOSSOPVSA-N 449.643 4.675 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N1CCCCCC1)C1CC1 1359247430 BFERKSVRQVVGLU-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1C[C@H]2CC[C@H]1C2 1359279694 POHXOXQXVXTHBZ-OKZBNKHCSA-N 430.980 4.682 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)C(C)(C)C1 1359346377 JYGMSAXJWXGPSZ-GOSISDBHSA-N 430.618 4.657 30 10 IJEE C=CCSCCn1c(N2CCC(n3ccc(C(F)(F)F)n3)CC2)nnc1C(C)(C)C 1359346515 NLRINXMDZVNBES-UHFFFAOYSA-N 442.555 4.552 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1360369135 CEVGOOZVQZVSJA-UHFFFAOYSA-N 446.657 4.779 30 10 IJEE C#CCC1(C(=O)Nc2ccc(I)cc2Br)CCCCC1 1435396042 GIPDDRQSZBYNTB-UHFFFAOYSA-N 446.126 4.966 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)s1 1437896922 NVQBGKZYOYEQKQ-JCGIZDLHSA-N 425.406 4.947 30 10 IJEE C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(SC(F)(F)F)cc1 1458251087 HDNOLCXMCIYKMJ-CJNGLKHVSA-N 434.439 4.827 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCC(=O)NCCc1ccc(C(C)(C)C)cc1 1458897130 BPTWLCIOMMXHNX-UHFFFAOYSA-N 448.636 4.803 30 10 IJEE OC[C@H](CNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)Cc1ccc(F)cc1 1461097814 AIZWJLCITNWXSN-MAUKXSAKSA-N 439.371 4.639 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(-c3ccccc3)oc2C)n1 1464712575 QNIXSMQDYPEYPI-UHFFFAOYSA-N 437.550 4.621 30 10 IJEE C#CCN(C(=O)NCc1ccc2c(c1)CCC2)[C@H]1CCOc2ccc(Br)cc21 1467857085 VFTKNYMCZIROJF-NRFANRHFSA-N 439.353 4.606 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 1468849013 TVBHGWLMJZNTDL-IBGZPJMESA-N 431.305 4.647 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 1473131682 JPVUYYWAEJMYEZ-OAHLLOKOSA-N 438.503 4.975 30 10 IJEE C#Cc1cccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c1 1475847016 SHEGWVFOFKEJRU-FGZHOGPDSA-N 437.515 4.722 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1 1476552285 PQCNSYFCVRGRSD-UHFFFAOYSA-N 429.517 4.877 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1 1476783011 ODRLSETUDAVZHU-UHFFFAOYSA-N 431.418 4.685 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC)c1ccc(F)cc1 1477897635 BILWTYXGVARVAL-NOZRDPDXSA-N 448.494 4.615 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 1479000835 IGSRAPOZLXVUQH-GOSISDBHSA-N 438.385 4.693 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccccc2F)C1 1507520490 OUFVVOFMFNMKGT-DZKIICNBSA-N 442.336 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507522281 UVOLTUUZRGWYOO-QZTJIDSGSA-N 445.558 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccccc1F 1507662445 JLWUXJSLRBYWGR-IBGZPJMESA-N 446.595 4.976 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)C(C)C 1507679920 TYFAUXUJDUXZRG-JPYJTQIMSA-N 432.996 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1507814842 OWYWMVRWIKATOI-UHFFFAOYSA-N 443.599 4.939 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1507904881 UREBFRBQYQOMAU-UHFFFAOYSA-N 427.593 4.515 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2OC(F)F)CC1 1507905598 WLLWOPYOQXAPJL-UHFFFAOYSA-N 445.539 4.686 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1507913027 TXEPWVPEHIHFTC-VXKWHMMOSA-N 438.664 4.977 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1507933668 AENZDWIFIGWPFT-UTKZUKDTSA-N 448.970 4.899 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](C)OC(C)(C)C1 1507960182 WITJBVSWSIEZBV-QZTJIDSGSA-N 444.645 4.728 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@]2(CCOC2)O1 1507974374 WYNPCZNIIZPKIL-IIBYNOLFSA-N 437.371 4.602 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC1(OC)CCCCC1 1507998364 PDVXPGHJHMYPJS-UHFFFAOYSA-N 449.599 4.834 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1 1507999852 RFEAQSDPTRDCKJ-LEWJYISDSA-N 442.567 4.610 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1508011574 HVCQHOWWTSFOSP-MAUKXSAKSA-N 449.418 4.929 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1)C1CCCC1 1516105575 GKAYBWSWRVADMM-HXUWFJFHSA-N 429.515 4.648 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1 1519377669 XRXZONRQEVZQDS-HSZRJFAPSA-N 426.582 4.607 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)c1ccccc1 1520010449 AOSGVUGPIKGTEY-NQIIRXRSSA-N 441.369 4.934 30 10 IJEE C=CCN(C(=O)c1nc2ccccc2cc1C1CC1)[C@H](Cc1ccccc1)C(=O)OCC 1522961357 XFJDZKDATCXZIB-XMMPIXPASA-N 428.532 4.915 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1C[C@@]1(C)Br)c1ccc2c(c1)OCO2 1523443812 SFSUNDRJYOFQFC-VGOFRKELSA-N 444.325 4.687 30 10 IJEE COc1ccc(NC(=O)c2ccc(C#N)cc2OC)cc1OCc1ccc2ccccc2n1 1528108933 BMPNMHDYKXTWKS-UHFFFAOYSA-N 439.471 4.955 30 10 IJEE C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C[C@H](c2ccccc2)C1 1528821335 BUGJRFOECBZIET-IPELMVKDSA-N 427.342 4.788 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 1529258485 GPDWKZLGDAEXFR-HOCLYGCPSA-N 433.733 4.805 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 1534034399 ADVCBNANEAYKBE-RUCARUNLSA-N 438.453 4.875 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)C(=O)OCC 1536578052 BOXKGKJTLSAZAP-SFHVURJKSA-N 445.972 4.736 30 10 IJEE C#CCN(C(=O)c1ccc(OC)c(C2CC2)c1)[C@H]1CCOc2ccc(Br)cc21 1538198389 IRMKMBHPBFQMNN-FQEVSTJZSA-N 440.337 4.934 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCC2(CCCCC2)O1 1539032099 SSPGJRCVGCFJBF-IRLDBZIGSA-N 436.600 4.759 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](c1cccs1)N(C)C 1539196268 HSRPPJTWDZPEFS-GOSISDBHSA-N 446.045 4.658 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCCOc1ccccc1 1539629768 YHCWZKODQBASAZ-ZJSXRUAMSA-N 447.583 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539929336 SNXGSYFXJLTBDF-ZSYWTGECSA-N 431.625 4.886 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCCCCC1 1539960441 ALHXHCZMOUUOIY-UHFFFAOYSA-N 434.588 4.802 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1C1CCC1 1540019265 FLVCHYNHZRITBR-JOCHJYFZSA-N 437.588 4.509 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC1(C)C 1540194639 WBULDIROTZSEJS-AWEZNQCLSA-N 437.357 4.532 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 1540829045 QJWVKSAUYVLZLP-DOTOQJQBSA-N 440.968 4.696 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1540861582 XNQXNKOTRVQPPW-QUCCMNQESA-N 441.551 4.669 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2cc(C(C)(C)C)no2)C1 1540883678 CRTJFNOBYQRNAB-RBBKRZOGSA-N 449.599 4.935 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCC(C(F)(F)F)CC2)C1 1540890835 KUPOSKLUNFATRW-CSODTCANSA-N 442.526 4.670 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 1542132624 RBGQZXAXGOETJP-RXVVDRJESA-N 443.588 4.889 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-c2ccc(Br)cc2)n1C)C(C)C 1542931916 AFQHCMMOAHHLBJ-JOCHJYFZSA-N 444.417 4.883 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 1543236270 ZIFMEKMIKJLBBR-KRWDZBQOSA-N 447.988 4.941 30 10 IJEE CC(C)(C)c1cc(NC(=O)CCc2nc(-c3ccccc3)no2)n(-c2ccc(C#N)cc2)n1 1544513402 FLWVDIBJXBQSDF-UHFFFAOYSA-N 440.507 4.663 30 10 IJEE COCCC1(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)CCCCC1 1555438816 ABLBVAKXMJYKJJ-NFBKMPQASA-N 429.609 4.637 30 10 IJEE COCCC1(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1555442506 HMALKMPRSOGNNI-RUZDIDTESA-N 435.616 4.790 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCS2)CC1 1555993899 FODKGIYALCENKC-LJQANCHMSA-N 431.993 4.536 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1OCC(F)F 1556837834 MPUIIZRWEXVFOY-CYBMUJFWSA-N 439.286 4.958 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(F)cc1OC 1557076823 OPCMWJBQKSOJJV-CQSZACIVSA-N 445.329 4.785 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1558207512 NPMNCOZODDPENX-MEMLXQNLSA-N 438.593 4.643 30 10 IJEE N#Cc1cc(S(=O)(=O)N(Cc2nc3ccccc3s2)C2CC2)ccc1C(F)(F)F 1561940075 CKLBTPDWKYYHOJ-UHFFFAOYSA-N 437.468 4.540 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(Br)cc1 1562351755 HWPMZNNKRWHWHO-INIZCTEOSA-N 445.317 4.527 30 10 IJEE C#C[C@@H](NC(=O)NCCOc1ccccc1C(C)(C)C)c1ccc(Br)cc1 1563991817 HHVNDTHALJOGJP-LJQANCHMSA-N 429.358 4.799 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1564182065 LYTASOHBJKYXKM-RBBKRZOGSA-N 447.000 4.973 30 10 IJEE C=CCn1cc(CNC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)nn1 1564958089 GQGUWGIFUYZDMK-MRXNPFEDSA-N 429.977 4.522 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 1565281303 ODAXRZOMGWWIJO-UHFFFAOYSA-N 448.633 4.714 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1566110098 IEPQXWWIUMICKO-LFUKPOHLSA-N 437.471 4.541 30 10 IJEE C#CCN(CC(=O)Nc1c(F)cc(F)cc1Oc1ccccc1C)C(=O)OC(C)(C)C 1585023187 YOYLTJWRTMKGBY-UHFFFAOYSA-N 430.451 4.874 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2c(F)cccc2F)CC1 1585930149 WFCPGCVCONRHPZ-UHFFFAOYSA-N 426.385 4.511 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 1587565548 ASMZCUMVDJTTIM-UHFFFAOYSA-N 444.466 4.694 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(CCC#N)CCOC 1589742327 KPZIUNCPTOHDAU-UHFFFAOYSA-N 425.533 4.755 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CC)CCOCC 1593817646 HTKGTFOQZTTXIP-UHFFFAOYSA-N 427.980 4.968 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1593894715 DYYNDYWAPWUPIE-QFBILLFUSA-N 441.790 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1594527780 BFCZTFPHKMRMLX-RTBURBONSA-N 449.640 4.547 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1594692646 BIGRSIDTDHPJMI-IPMKNSEASA-N 445.405 4.701 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1594728227 YKAZZORHRMADCS-ICSRJNTNSA-N 447.624 4.616 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1CCO[C@H](C)C1 1595190490 COTBDTIZXULARZ-QZTJIDSGSA-N 430.980 4.991 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(Cl)=C(Cl)C1 1595334687 DIAUIBGPRBBVBU-UHFFFAOYSA-N 444.160 4.802 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 1595884239 IILNLJJENOCXRE-GGAORHGYSA-N 439.673 4.844 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1 1596884125 XOARALPYLZSZPN-UHFFFAOYSA-N 448.519 4.548 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1CCC)c1ccc(Br)cc1 1596985564 RTQKCOPAGRHAQX-HXUWFJFHSA-N 440.316 4.831 30 10 IJEE C#C[C@H](NC(=O)c1nn(CCCCCC)c(=O)c2ccccc12)c1ccc(Cl)cc1F 1597001589 DPJYDMRPDDKCCR-NRFANRHFSA-N 439.918 4.874 30 10 IJEE C#CCN(C(=O)c1ccc(I)cc1F)[C@H]1CCCc2ccccc21 1611222974 LUBFHNOZBYBECJ-IBGZPJMESA-N 433.264 4.583 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1CC1CC(F)(F)C1 1611732569 HTMOATKZGMTWMA-HNNXBMFYSA-N 433.478 4.733 30 10 IJEE C=C(C)Cn1c(SCc2c(Br)cccc2[N+](=O)[O-])nnc1-c1ccncc1 1613604874 ZMTUHGUPOPVFFA-UHFFFAOYSA-N 446.330 4.879 30 10 IJEE C#CCOc1ccccc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1616657691 DEZXLRPXTFOFMT-SFHVURJKSA-N 440.499 4.564 30 10 IJEE C=CCN(Cc1nc2cc(Br)ccc2o1)[C@@H](Cc1ccccc1)C(=O)OCC 1617225890 ZVURHVXEEVIZMB-IBGZPJMESA-N 443.341 4.753 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 1618673684 OGFVGDLHUMGLKD-FPOVZHCZSA-N 438.572 4.587 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 1625539283 VAMBQQKEQKRDKU-ACJLOTCBSA-N 437.309 4.787 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1ccc(OCCOC)c(Br)c1 1627948681 ZLVURRRHLVRONT-UHFFFAOYSA-N 425.348 4.756 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCc2ccc(OCC)cc2)CC1 1629111272 DNXPPCQGZHKOOT-HSZRJFAPSA-N 442.600 4.563 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2F)C2CCCCC2)c1 1630916592 REVMNXAMVXBWFD-UHFFFAOYSA-N 427.541 4.598 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(C)CCCOC1 1631704445 GTKDYIBCZWDZRP-SHQCIBLASA-N 448.563 4.545 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 1633865453 JNARGDYQPJXZAY-AWEZNQCLSA-N 434.842 4.526 30 10 IJEE C#CC1(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)CCCC1 1643516263 DWSQHVVLBPVJIZ-UHFFFAOYSA-N 444.556 4.830 30 10 IJEE C#CC[C@H]1CCCN(C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1643531855 BYKQFGBDQLALSD-IBGZPJMESA-N 430.548 4.566 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)NCc2ccccc2)nnc1-c1cccc(Cl)c1 1643805962 OFWGELOXXGSAAX-IBGZPJMESA-N 426.973 4.972 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](CO)c2cccc(Cl)c2Cl)n(C2CCCC2)c1C 1647815920 FBQPMEAZOKFATK-LJQANCHMSA-N 449.382 4.660 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)c1ccc(Br)cc1 1647998141 JSPFXBJFWKPEOT-QAPCUYQASA-N 439.394 4.918 30 10 IJEE C#CC1(NC(=O)c2cc(S(=O)(=O)Nc3ccc(CCCC)cc3)ccc2C)CCCC1 1650954676 LCWNJWPXCWYOJK-UHFFFAOYSA-N 438.593 4.814 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2ccc(C)s2)c(C(=O)OCC)c1C 1652045889 KVOHGWHGDJTNNE-UHFFFAOYSA-N 439.580 4.677 30 10 IJEE C=CCn1c(SC[C@@H]2CCC[C@@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CCC3 1652447861 UVDWZEWHONVJPB-FZMZJTMJSA-N 430.517 4.725 30 10 IJEE Cc1ccc([C@H]2C[C@H](C)N(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)C2)cc1 1653462800 HGJQBQUMXKDTLR-AVRDEDQJSA-N 430.552 4.743 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1 1661033071 LBIYCFGJGQAKLJ-UHFFFAOYSA-N 433.017 4.745 30 10 IJEE C#CCC1(NCc2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)CCOCC1 1663301980 FEKOSOVVSATIRA-UHFFFAOYSA-N 433.470 4.955 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(F)c3ccccc23)cc1 1665969885 SMFLVPVMCFLLCB-INIZCTEOSA-N 441.528 4.668 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(NC(=O)C2CC2)ccc1C)c1ccc(Br)cc1 1667838478 HRUPZTWUAKLCPB-GOSISDBHSA-N 426.314 4.602 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C)c1ccc(Br)cc1 1668475978 SFQVZJGIKZTZAB-QGZVFWFLSA-N 445.313 4.519 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(I)cc1Br 1669098018 GKQBQYNXWGEPOG-SNVBAGLBSA-N 437.119 4.920 30 10 IJEE N#Cc1cc(NC(=O)NC[C@H](O)c2c(F)cccc2Cl)ccc1Oc1ccccc1 1670536400 CCNHRKXVYYKGFH-IBGZPJMESA-N 425.847 4.998 30 10 IJEE COc1cc(NC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c(F)cc1C#N 1673761840 DIZDSOXESOHWAR-LLVKDONJSA-N 438.322 4.771 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 1674014624 DMTKNBVEKKVCNE-SFTDATJTSA-N 443.563 4.759 30 10 IJEE CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCCN(c2ccccc2C#N)CC1 1678110795 CGMOWOIFSQHERK-FQEVSTJZSA-N 444.501 4.820 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1)c1ccccc1 1679251790 FUOJZRMDHSFQAS-QFIPXVFZSA-N 427.976 4.883 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC1(C)CCOCC1 1690090925 CUHMUSWJFQDYED-UHFFFAOYSA-N 438.572 4.526 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@H]2CC2(F)F)CC1 1690168035 UNVNWWTUPPTOSW-QGZVFWFLSA-N 436.959 4.837 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CCC(C)C 1690241654 VUHVTYSLFYVZLM-DHIUTWEWSA-N 432.572 4.564 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)N(CC)CC)CC1 1690369561 PBQFKRMBGXAWQR-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2csc(CC)n2)CC1 1690415409 KRZFYYGNINXMJI-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1690415803 ZFKDTZFWVSSRTP-GOSISDBHSA-N 432.515 4.704 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(F)cc(OC)c2)CC1 1690417066 CQXXCAARTPOBGI-FGZHOGPDSA-N 442.579 4.795 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1690456787 LPZVDTWESQPTIJ-XMMPIXPASA-N 449.599 4.728 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N(C)Cc1nc(O)c2sccc2n1 1690457192 SWUBMBQXYLHIJV-UHFFFAOYSA-N 434.569 4.957 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(c2ccnn2C)CC1 1690473598 ALKFSDJHVQVNAD-UHFFFAOYSA-N 442.514 4.630 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690486730 RROGTTWXSZXIAL-UHFFFAOYSA-N 432.616 4.873 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN1CCCC1 1690515123 FWQBBOLZLPXYCE-OAQYLSRUSA-N 425.621 4.779 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1CC1C[C@@H](C)O[C@H](C)C1)C1CC1 1690553644 BGXWKZZBLGMDSN-QZTJIDSGSA-N 442.629 4.937 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@@H]1C 1690555856 GDZFLGCBYFEIML-UGKGYDQZSA-N 447.583 4.522 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(C)C)CC1 1690568021 YDOAVIDGTSRMBP-UHFFFAOYSA-N 448.546 4.693 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1C[C@@H]1C 1690604023 MTFVYLWZBPPFTE-PMACEKPBSA-N 433.556 4.631 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCCN2CCC)C1 1690690255 UYPLAZMWDNWNPA-YADHBBJMSA-N 444.023 4.644 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1705577187 DDNAHPRZYOOKTQ-CMKODMSKSA-N 437.385 4.525 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H]1CCO[C@H](C)C1 1705577422 ZOGZZGJERMVSHP-IAGOWNOFSA-N 431.367 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCCC1 1705592594 NJGZYFVPOLXISF-UHFFFAOYSA-N 431.628 4.580 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](C(C)C)N1CCCC1 1705620018 JKPKTGIXBJRYRE-QHCPKHFHSA-N 439.623 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705720129 YQHTYBLXVKKBCM-AOJNWGRGSA-N 438.616 4.818 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1705726927 QVUHVCALWJCGMF-UHFFFAOYSA-N 447.530 4.852 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCSC2)C1 1705732709 ADALGISTQKKHON-OAQYLSRUSA-N 436.984 4.664 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)CC[C@H]1C 1705740179 DNWDFMYMGVELMM-RBUKOAKNSA-N 430.618 4.797 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705759554 PLPUISWTQJVCLZ-OAQYLSRUSA-N 439.387 4.904 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)c2c(C)noc2C)CC1 1705764913 SBBZHAYYHPGBSL-INIZCTEOSA-N 437.544 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[C@H]2CCOC2)CC1 1705765679 WUMMQYOKAGDQDE-KRWDZBQOSA-N 431.378 4.599 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1705772361 NWEPKGGVIKIBJS-ZRZAMGCNSA-N 437.632 4.690 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1705798558 VNXRZKWWHHEPJY-JOCHJYFZSA-N 433.625 4.956 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC(C)CC1 1705858933 AKTRBUGLIDATDL-QFIPXVFZSA-N 432.616 4.597 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)C1 1705940714 NGPQZRBCNLYVEI-CYBMUJFWSA-N 425.371 4.612 30 10 IJEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCO[C@H]1CCCC[C@@H]1C 1710670678 HRRQPUSKDSOSQL-RDPSFJRHSA-N 449.599 4.575 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(OC)CCCCC1 1722278651 RQVDPEMOJFWDSP-VQTJNVASSA-N 440.588 4.624 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C)(COC)CC1 1722312208 YOWKPIGONHECIJ-UHFFFAOYSA-N 430.980 4.664 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722432972 VZSZKSMIKOVGNW-NZQKXSOJSA-N 447.583 4.901 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H](C)c1cccs1 1722465378 KRUDUTBFHDZEHD-GOSISDBHSA-N 426.611 4.791 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)OC1CCCC1 1722491714 BLQLLDHJNYGDRY-YLJYHZDGSA-N 448.514 4.838 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1722500227 BQCQXZXEJCBQAY-HTAPYJJXSA-N 442.560 4.675 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1722561994 HEURMOCJMLJLEF-PZJWPPBQSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1722589073 JXSUDONZJMPUGD-QFIPXVFZSA-N 448.615 4.745 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722600635 QMLPMLZPSQHRET-UHFFFAOYSA-N 443.599 4.903 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2Cl)n1CCN1CCCCCC1 1731187950 CUWRRKJJZGRGEX-UHFFFAOYSA-N 426.996 4.605 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](c1cccnc1)C(C)C 1740600014 HMVXXAPHOALBDS-GCJKJVERSA-N 437.975 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3ccccc3o2)n1CCCN(C)CC(F)(F)F 1740726656 IKXBLGSQHCJEMK-JOCHJYFZSA-N 445.489 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1740837859 XQVHAESXXBBMPS-QFIPXVFZSA-N 434.588 4.727 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740859779 RBVVZGZUFVDVAI-UHFFFAOYSA-N 440.592 4.532 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)C[C@@H]1CCCO1 1740870044 HVKOTVOXSRFYIM-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C(C)C)C1 1740880937 RPCQOICXIPGXGM-OALUTQOASA-N 449.665 4.894 30 10 IJEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1741444242 DCWRFCCMKUMEOL-URXFXBBRSA-N 434.632 4.517 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2)C1 1743065535 CLCVQGDJMCLDJU-LJQANCHMSA-N 432.572 4.557 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)CCS1 1745056131 FDGBEGXYFXSDMU-PZJWPPBQSA-N 439.629 4.887 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1748736239 LHKKKLANBYMTHO-IRLDBZIGSA-N 432.572 4.523 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1749033364 DYVMPDXCMUPZNO-OAHLLOKOSA-N 445.430 4.798 30 10 IJEE C#CCSCCn1c(Nc2ccn(C)n2)nnc1-c1ccc(-c2ccc(F)cc2)s1 1749048869 CYGPTZNOVIFFLX-UHFFFAOYSA-N 438.557 4.656 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(C)cs1 1749132703 CGCKZDBFZMFDQN-AUSIDOKSSA-N 440.588 4.996 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1749213482 LIBPSYPLCVULOU-PXDATVDWSA-N 437.588 4.758 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)Oc2ccccc2F)CC1 1749316349 FUBBZGXCHBXUCD-WOIUINJBSA-N 442.579 4.960 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1749384450 BQZCMFUWPMGALI-XZOQPEGZSA-N 448.615 4.519 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C(C)C)N1CCCC1 1749473937 SWCBWULDOUUQMD-HXUWFJFHSA-N 446.437 4.759 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccccc1OC)C1CC1 1749510863 AIOQGZFYHTWOQS-MRXNPFEDSA-N 439.947 4.624 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC=CO1 1749531537 JMEXWJWWIOGEMB-JOCHJYFZSA-N 431.565 4.687 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C1CC1 1749538000 QXSFSSUKJDUBQY-XLGIIRLISA-N 438.616 4.550 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1749553037 DSPZKFHTGMTHFH-NTKDMRAZSA-N 444.645 4.849 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)oc2ccccc12 1749593910 CLEXZEGUOPVQBK-UHFFFAOYSA-N 437.931 4.735 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1751082000 GJAWFLQTRDNLGW-GOSISDBHSA-N 426.524 4.980 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1c(C)noc1C 1760197457 XJJFTKJBYKRBKZ-IAGOWNOFSA-N 447.608 4.613 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1sccc1C 1760210926 WUXIHPHLWFNJCK-UHFFFAOYSA-N 445.375 4.655 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1coc(-c2cccs2)n1 1760237294 DQTAFIKQOYUIRZ-UHFFFAOYSA-N 447.564 4.698 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC1(CC)CCOCC1 1760240761 BEVCCNOUAGCCNG-UHFFFAOYSA-N 447.558 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760316821 XJXVBUVXWZDWPV-ACESQOTJSA-N 438.616 4.662 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1ncc(CC)s1 1760318500 GLPJFGATHSKXHC-XMSQKQJNSA-N 437.613 4.890 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760350578 MPVAGTXVXULAAC-BJKOFHAPSA-N 438.616 4.666 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 1760364505 SMJGIOHKDCUUHY-GOSISDBHSA-N 429.540 4.829 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@H](C)N1CCCCC1 1760457912 LWVNWDWGKFNHBK-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC(C)(C)N1CCCCC1 1760479488 QPEBFGQSSRFOAO-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1Cc1c(C)nn(C)c1C 1760485458 CZJRHKNGMHPJBL-UHFFFAOYSA-N 448.596 4.606 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1 1760498697 BLYMYSIOTYGELP-OZXSUGGESA-N 431.584 4.923 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2CCCCC2)C1 1760537716 RHENJQJXBOVECO-LJQANCHMSA-N 430.980 4.969 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC(c2nccs2)CC1 1760563111 HJORLPZMRLTJML-UHFFFAOYSA-N 429.590 4.844 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760568948 YMXLKUXSOZYPNU-CTNGQTDRSA-N 444.670 4.803 30 10 IJEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)csc1=Nc1ccc(C)cc1 1772725388 RBFBNIVBYFAXAQ-UHFFFAOYSA-N 439.606 4.728 30 10 IJEE CCC(CC)C(=O)Nc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1860136895 VTKOEKZVNMFVDS-UHFFFAOYSA-N 425.554 4.891 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)[C@@H](C)CC 1861073611 GBYYMBMCYJEXNX-AMMSVTKESA-N 432.605 4.725 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(OC)cc1 1861080154 KUTDAXRWSQDZAR-RUZDIDTESA-N 438.612 4.832 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(N(CC)CC)cc1 1862422067 VZODJPYXLMDJQE-OAQYLSRUSA-N 428.479 4.799 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1cccnc1 1862455940 GMUAEGHTWXGNBJ-NRFANRHFSA-N 438.405 4.586 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456431 RPECWXCZVJEFJE-LJQANCHMSA-N 429.419 4.944 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Br)ccc1F 1862500121 YACSGULCQLPUHZ-SFHVURJKSA-N 432.289 4.803 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C(C)C)cc1 1862524593 ILLSWWUTOOTDCF-LJQANCHMSA-N 428.326 4.998 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862536721 FTWQUPSRBWNOLU-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1CCc1ccc(F)cc1 1862555472 WBFPXUJWZLGDSY-HSZRJFAPSA-N 430.479 4.537 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862558924 CNXJXEBMIJSHKH-DEOSSOPVSA-N 442.515 4.754 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862583983 NSVYBVCJMODVHK-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862684199 ZTKLHFMZPTZJHX-MJGOQNOKSA-N 449.400 4.602 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862688573 ZNROOERVRIHSKI-XMMPIXPASA-N 443.499 4.530 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862744830 VVUSTTQGWSERRV-GOSISDBHSA-N 448.397 4.992 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1862942781 AMTJBRHYKJSJSF-UHFFFAOYSA-N 445.425 4.550 30 10 IJEE COc1cccc(CCC(=O)Nc2c(Br)cc(C#N)cc2Br)c1 1865945283 AEVMGJPIZZRXIL-UHFFFAOYSA-N 438.119 4.663 30 10 IJEE O=C(Nc1cccc(C(F)(F)F)c1F)c1c[nH]c2ccc(OC(F)(F)F)cc2c1=O 1866461297 OJBBAFSYTPVQDL-UHFFFAOYSA-N 434.267 4.837 30 10 IJEE CSCC[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866692645 WMBZRJTXLBMOBV-CRYHJCRISA-N 447.604 4.845 30 10 IJEE CC(C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867122916 OIGCXZJEMSVFPK-NRFANRHFSA-N 447.485 4.892 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1868286899 YTBOUKUFEQBVMV-NRFANRHFSA-N 431.565 4.957 30 10 IJEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CSc2ccccc2)cc1=O 1870302555 SWJDHQIMFIUYMP-VWLOTQADSA-N 444.600 4.990 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)C(=O)Nc1ccc(F)cc1 1871400908 OIZYMXUZJZIFHP-YQQIGLNXSA-N 447.418 4.577 30 10 IJEE CCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871412936 MHPPGLZBUOBWSD-FMCGGJTJSA-N 449.503 4.926 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)c1 1871426792 YOOPEXDHOCYUAD-BDQMVGTNSA-N 431.444 4.813 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4c(F)cccc4F)ccc3C2=O)c1 1871440532 UKAXJMRFKFDTFK-NHDPSOOVSA-N 437.398 4.607 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871447769 AURLMGJYEWYVMZ-YSUUHWHMSA-N 431.444 4.813 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871816890 OOZVGSZTUVKIFX-GOSISDBHSA-N 434.524 4.821 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872226274 VEPXTDMBEXSMJS-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)n1 1872770806 FPAGEMUMSQXQGG-MRXNPFEDSA-N 438.505 4.643 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]c2c1 1872816807 VTBWBMUIQLKJEB-UHFFFAOYSA-N 434.565 4.725 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2cccnc2)C1=O 1873079751 ARLWNSXKVZBYIQ-UHFFFAOYSA-N 442.648 4.624 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCN(CC)CC)C1=O 1873159258 LTTJRHPUQGNUKN-UHFFFAOYSA-N 427.633 4.839 30 10 IJEE C=CCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167560 MGWFKESYAWOAEE-UHFFFAOYSA-N 429.564 4.840 30 10 IJEE Cc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccccc3C#N)CS[C@H]2c2ccccc2)cc1 1873868395 ASJOCGKRUCTLBC-RDGATRHJSA-N 427.529 4.762 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(=O)OC)cc1 1874358097 OKXRPNYDTLPCFU-AFUMVMLFSA-N 434.565 4.823 30 10 IJEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874400436 QIPHIRVOQMCMLF-DTVDJLOLSA-N 438.553 4.616 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)NCc2ccccc2)nnc1C1CCCC1 1874458146 YUJRBBCGNUUWGT-ZVHZXABRSA-N 439.610 4.596 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(F)cc1F 1874482798 OHXIXUUDAXUQHC-BRJLIKDPSA-N 443.523 4.775 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C(C)(C)C)c1 1874485675 HPEYXXRHYKLDMQ-YDZHTSKRSA-N 432.590 4.538 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)c1 1874569293 QAPXGHSXEXYUHR-HZHRSRAPSA-N 433.493 4.522 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1cccs1 1875085031 LXKBEMZLPCTNQG-CMDGGOBGSA-N 439.445 4.789 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 1875102801 FPVYMNAIGRQYPH-ZRFOIIEFSA-N 439.464 4.536 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c1 1875147239 TYBJFDSCAQGELU-XYOKQWHBSA-N 430.456 4.972 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 1879577056 WNPUJCRGKJUYGO-MRXNPFEDSA-N 441.391 4.506 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(F)c(Br)cc2F)C1 1894894868 KFBYDXXWOWJBQA-INIZCTEOSA-N 431.321 4.991 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCC#N)C1 1900607446 NBRBULKVUJMUDB-AVRWGWEMSA-N 445.563 4.702 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1COC[C@H]1N(CCC)C(=O)OC(C)(C)C 1922087011 VOIIMNZMKKLMGU-SMIHKQSGSA-N 446.632 4.790 30 10 IJEE Cc1cc(C#N)ccc1[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 1952854110 PZYDXIRNYKINDC-RPLLCQBOSA-N 438.483 4.705 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959031451 RRZLVDZBMTTYPW-GBXCKJPGSA-N 439.487 4.918 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 1983329792 AHUXKZIQJGNSHT-LAUBAEHRSA-N 427.463 4.764 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2032368173 HRUNCBIUOZHRGL-HKUYNNGSSA-N 445.560 4.976 30 10 IJEE C=CCC1([C@@H](N)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2047974043 SBPGXODCXICAMP-INIZCTEOSA-N 429.786 4.786 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(Cc2ccccc2)CC12CCC2 2098701216 FLHWRJRBEFSQIP-LMSSTIIKSA-N 448.651 4.935 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Br)c(F)c2F)C1 2126685229 NXJLDSMPJUJLGO-INIZCTEOSA-N 431.321 4.849 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2162315065 PRNFASOCPOQJTO-INIZCTEOSA-N 431.336 4.846 30 10 IJEE C=CCC1(NC(=O)c2c(F)cccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2174760762 KXANLFCCYBYEOV-UHFFFAOYSA-N 441.341 4.664 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1C[C@@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2180989842 SVAWGXWGMAEQRT-IAGOWNOFSA-N 443.426 4.829 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)c(CC)nn1C 2192405867 UUWWODBOTCYQQT-WBVHZDCISA-N 443.430 4.645 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3cc(Br)cc(C#N)c3)CC2)C1 2193611049 ULGOZLHNNJBELM-KRWDZBQOSA-N 434.378 4.794 30 10 IJEE CC1(C)OB(c2cccnc2NCCc2cccc(OCc3ccccc3)c2)OC1(C)C 2232327791 IVERAVUSDTTWKP-UHFFFAOYSA-N 430.357 4.614 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234725984 YBVCWADQNIEKNI-WMPKNSHKSA-N 446.444 4.533 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](N)C#Cc2cccc(Br)c2)cs1 2278724278 AROLFEPWNBRUMJ-WFASDCNBSA-N 436.375 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(N)C#Cc1ccc(Br)cc1 2296222193 PPPWGYVSFFWZRC-BMUJQCINSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@H](O)C#Cc1ccc(Br)cc1 2296278072 ZXYQSAISNLFSDX-AZUAARDMSA-N 436.390 4.883 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(C)ccc1I 2296306200 DLQXXCNQVOBCDK-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2296311437 WZYSQKWSRYDEMS-UZLBHIALSA-N 445.348 4.717 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2296866033 SNSCIRVPUJHIGG-UHFFFAOYSA-N 446.455 4.686 30 10 IJEE COc1c(Cl)cc(Cl)cc1C=C1SC(=Nc2ccc(C(=O)O)cc2)N(C)C1=O 2297460827 JOXHXFDKQMQEGX-UHFFFAOYSA-N 437.304 4.934 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2317346208 FNLWAKNZWYXNDD-UHFFFAOYSA-N 429.370 4.586 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317348404 MXLGMFULGBFICE-QHCPKHFHSA-N 430.354 4.505 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc4c3CN(Cc3ccc5c(c3)OCO5)CO4)C2=O)c1 2322099098 AISVVVRPLIYKEU-UHFFFAOYSA-N 427.456 4.692 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(N(CC)CC)cc1)C3=O 2322145787 WTBFXSFMEOGTQD-UHFFFAOYSA-N 436.552 4.728 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OC(=O)c4cccnc4)c3C)C1=O)cn2C 2322807597 KYKZLLWNMBOBQA-UHFFFAOYSA-N 440.455 4.726 30 10 IJEE CCn1cc(C=C2Oc3cc(OC(=O)c4ccncc4)ccc3C2=O)c2cc(OC)ccc21 2322828354 MPQJQDIERBGXJC-UHFFFAOYSA-N 440.455 4.900 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323190304 RFJUQSASTBYMJS-UHFFFAOYSA-N 429.472 4.662 30 10 IJEE C=CCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2323202539 HMBQCIVJCQIJKO-XMMPIXPASA-N 426.944 4.519 30 10 IJEE COc1ccc(C=C2Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)cc1OC 2324054970 VNKVBGILDBCUIP-HOTGVXAUSA-N 437.536 4.812 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)c1 2324745174 YWUMNDTYMHVZEI-UHFFFAOYSA-N 446.455 4.686 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)s1 2324800635 MZLFEGMYSVABMW-SFHVURJKSA-N 449.532 4.821 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2325731569 HCIBEANXIJJOIH-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCOc1cccc(C=Nn2c(COc3ccc(OCC)cc3)nnc2SC)c1 2326629209 LPLKGOOLQOQNLA-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE COc1ccc(Br)cc1C=Nn1c(C)nnc1SCc1cccc(F)c1 2326725997 VTUGBTMRRYNZPR-UHFFFAOYSA-N 435.322 4.671 30 10 IJEE C(=Nn1c(Cc2cccs2)nnc1SCc1ccccc1)c1ccc2c(c1)OCCO2 2330392238 QYHKEDWRACMDRV-UHFFFAOYSA-N 448.573 4.876 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccncc1 2330798576 QQDRAPHSJNBBTJ-UHFFFAOYSA-N 429.472 4.943 30 10 IJEE Cn1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)c2ccccc21 2330899532 BLEUGOMPBMWSLS-OAQYLSRUSA-N 435.528 4.935 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2C)cc1 2330911401 BYSHKQAGJURSBP-OAQYLSRUSA-N 449.580 4.613 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2ccccc2)nnc1C1CCC1 2331521076 BFSYDCVGTPOPGN-UHFFFAOYSA-N 438.553 4.746 30 10 IJEE CCN[C@@H](C#Cc1nccs1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2338240490 UGVBFFBDBVIIGZ-HNNXBMFYSA-N 436.375 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339543096 LYZZOEGOUORSKZ-UHFFFAOYSA-N 443.397 4.564 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)cc1 2364920874 ATZCHYDFTQBFIT-UHFFFAOYSA-N 449.360 4.972 30 10 IJEE Cc1cc(CN2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369727640 CHUYAUBCDPEFIL-FTJBHMTQSA-N 446.444 4.533 30 10 IJEE C=CCc1cc(N)ccc1OCc1ccc(I)c(Br)c1 2377437583 QXRAEACRVRTDOZ-UHFFFAOYSA-N 444.110 4.943 30 10 IJEE COc1cc(/C=C2/Oc3cc(OCC(=O)c4ccccc4)ccc3C2=O)cc(OC)c1OC 33897524 NULAYLJSIBHCGF-SSDVNMTOSA-N 446.455 4.590 30 10 IJEE Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1cccc(C#N)c1 36167220 OFFYOAPXWXRXIN-XMMPIXPASA-N 445.569 4.517 30 10 IJEE COC(=O)/C(=N\Nc1ccc(OC)cc1)Sc1nc2ccccc2n1-c1ccccc1 59121511 INSCVRHOSJGIAF-YYADALCUSA-N 432.505 4.725 30 10 IJEE Cc1ccc(/N=C2/SCC(C)(C)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 89612182 JJNBMMHHFCOIRP-XUTLUUPISA-N 428.470 4.775 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95084808 KKVIFTFCHOVICB-FQEVSTJZSA-N 432.524 4.735 30 10 IJEE COc1cccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c1OC 100131121 OMPGXWFWNPGSBL-HXUWFJFHSA-N 428.525 4.563 30 10 IJEE Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)C2=O)cc1C 110480325 WPDPGFOTSVXMDI-JOCHJYFZSA-N 440.503 4.662 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(OC)c(OCc3ccccc3)c2)C2=C1CCCC2=O 169929990 HIKUIPNIAYSXFG-DEOSSOPVSA-N 436.577 4.923 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936594 BHLJDRGVPZLPIO-RUZDIDTESA-N 438.483 4.669 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 169983454 UPNHGBYRFNKAJJ-NRFANRHFSA-N 449.484 4.658 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)cc1 170224995 DDFZBCWDQDVSAJ-FYSMJZIKSA-N 441.483 4.802 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 170247863 YLTMHAZFMAAQGR-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(C)o2)c1 170300105 SZEQDEKZDYISMQ-JOCHJYFZSA-N 431.444 4.716 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C)o2)c(OC)cc1Cl 170310816 QXKHQMGXYSSBBE-HXUWFJFHSA-N 445.899 4.780 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)c(OC)c1 170314859 MIAXNIHOIPHNNR-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC)c1 170324473 CUSKIYRJFZAZTI-MWTRTKDXSA-N 433.504 4.563 30 10 IJEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1Cc1ccc(F)cc1 170424964 YKDKONLGUMNCIL-JOCHJYFZSA-N 430.435 4.987 30 10 IJEE COCCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=C1CCc2ccccc21 254745169 PNOQWDOIUJZYSU-UHFFFAOYSA-N 429.492 4.564 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](CC(=O)NC)c1ccccc1)c1ccc(C(F)(F)F)cc1 430887805 FSCBIHAZSYJVFI-PMACEKPBSA-N 433.474 4.889 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](CC(C)C)c2ccccc2OCC(C)C)cc1C#N 470758903 ZCCBPQVRQHVFNS-LJQANCHMSA-N 427.570 4.933 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)N1CCC[C@@H](C)C1)C(C)C 489679601 BGYSIULEYUBMLB-DENIHFKCSA-N 442.629 4.727 30 10 IJEE C=CCN(C(=O)Cc1nnn(-c2ccc(C)cc2)c1C)c1nc(-c2ccccc2)cs1 497997353 FDCIQBKBWYEZMZ-UHFFFAOYSA-N 429.549 4.769 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@@H]4C)[C@H]3C[C@H]12 504379506 RTGZNAKHJPYKJA-XIDPVKSUSA-N 439.596 4.937 30 10 IJEE biogenic CCN1C(=O)CCc2cc(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)ccc21 546108602 UDXBXCROFAYBRA-UHFFFAOYSA-N 441.535 4.632 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(Cl)cc2)cc1OC 586209194 YJNCBJXRJIYSCT-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)OCCCc2ccccc2)c(C(=O)OCC)c1C 586483208 CJQKXKHZADQYPP-UHFFFAOYSA-N 431.510 4.757 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c(F)c1 609239255 HDQMZYLGSXGHMG-UHFFFAOYSA-N 442.538 4.960 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)NCc1ccc(C#N)cc1F)C(F)(F)F 614252134 SBOXSYMOFUXTRC-HXUWFJFHSA-N 445.420 4.603 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1sncc1Br)NCCC 719922173 XNWMSDQMLCJWMS-LSDHHAIUSA-N 432.428 4.676 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)[C@@H]2CCCN(C(=O)[C@@H](C)CC)C2)c1 726320718 XOABGUAOLRAIID-PZJWPPBQSA-N 449.547 4.673 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2c(C)cc(Br)cc2C)c1 733800937 JBCUBNNRIWGRSN-GOSISDBHSA-N 430.346 4.746 30 10 IJEE COc1ccccc1N(Cc1cc(Cl)ccc1OCC#N)S(=O)(=O)c1cccs1 735304290 JBJOIXRXKDEANN-UHFFFAOYSA-N 448.953 4.708 30 10 IJEE COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F 755603568 VSPDVOCCRDMMKI-MYWXAZLQSA-N 430.863 4.556 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 766371228 RKPQNIRYXGHSKT-NQIIRXRSSA-N 444.572 4.512 30 10 IJEE C=CCn1c(-c2cnccn2)nn(CN2CCCC[C@@H]2c2cccc(Cl)c2)c1=S 766666317 OMJWNIVADSBLHR-LJQANCHMSA-N 426.977 4.895 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(C)c(F)c1 799222532 AWPCUTLELVSZBT-SFHVURJKSA-N 449.935 4.776 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1cc(C)ccc1C 802558585 RTJAJBKDLXTMAI-UHFFFAOYSA-N 433.556 4.534 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@]3(O)CCC[C@@H](C(F)(F)F)C3)c2)s1 1116702197 ASRJPLSEDJSUSM-UZLBHIALSA-N 437.487 4.570 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1c(C)nn(CC)c1C)c1ccc2c(c1)OCO2 1124212114 FTSWHGZOOOBRCH-UHFFFAOYSA-N 447.535 4.589 30 10 IJEE C#CCN(C(=O)[C@H](C)OC1CCCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1126228159 GEZZQIRGTPHSOX-OXJNMPFZSA-N 434.374 4.862 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)CCCC1(C)C 1128469267 PHVDDJKVGRTPQY-HSZRJFAPSA-N 437.584 4.802 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OC 1141632154 AUMDAHWMZZMXDQ-KXXOPMGUSA-N 434.580 4.822 30 10 IJEE N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 1143522077 AMEJAUQYGNYPJY-QFIPXVFZSA-N 432.568 4.602 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1157543921 ZKQXHIBEJWFEKS-OAQYLSRUSA-N 438.572 4.908 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](Oc3cccc(F)c3)C2)n(C2CCCCC2)c1C 1175426178 GMXZBUDHDMICFA-JOCHJYFZSA-N 438.547 4.713 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(OC)c2)nc2sc3c(c2c1=O)CCCCC3 1187972726 YGBFQIKPGBRGEM-UHFFFAOYSA-N 440.590 4.897 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nc2sccc2c1=O 1188282991 PZXKVZDFATZEGC-AWEZNQCLSA-N 441.361 4.957 30 10 IJEE COc1ccccc1-n1c(S[C@H](C#N)CCc2ccccc2)nnc1N1CCCCC1 1188439133 GZLIJNDLWDJAAB-FQEVSTJZSA-N 433.581 4.883 30 10 IJEE COc1ccc([C@H](CO)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 1198877289 AUUQVBHSZOWKDI-FQEVSTJZSA-N 431.492 4.565 30 10 IJEE C=CCOc1ccc(CNc2cc(N3CCOCC3)c(Br)cn2)cc1Cl 1202831626 DKMMJWNTBRMEGG-UHFFFAOYSA-N 438.753 4.511 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCOCC1 1220684734 ZPUJLAAWHZWVIM-REWPJTCUSA-N 435.955 4.681 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 1222004284 DEZJYWUCSLIBFS-MSOLQXFVSA-N 447.366 4.752 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1233928507 QUKBFYYZIHPKNY-RBBKRZOGSA-N 448.485 4.895 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1252970649 KONSYAHCIJAEBU-BHIFYINESA-N 449.636 4.569 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(F)(F)c2cccc(Cl)c2Cl)cc1 1264609280 MKWARPZQMWRDGO-UHFFFAOYSA-N 449.306 4.530 30 10 IJEE COCCn1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc2ccccc21 1267675839 GUALZQXJRRAVCQ-UHFFFAOYSA-N 430.439 4.738 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1286317131 JQFXNHNQWVLBKB-LPHOPBHVSA-N 441.988 4.825 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(CC(C)C)CC2)CC1 1286471404 JRDNTLHQMRXIIR-QHCPKHFHSA-N 449.643 4.616 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)=C(C)C1 1286561935 HNGOPXQUAOVWLL-DXBBTUNJSA-N 428.621 4.724 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1286739414 BSRAATJPLHJSBK-PMACEKPBSA-N 438.616 4.982 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1286776786 ANZDIFLKGASFNX-CTNGQTDRSA-N 426.605 4.982 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2C[C@H](C)CC(C)(C)C2)cc1 1286796693 OQGFPMGDYXEVAS-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C1CCC(C)CC1 1286830750 QCNHHIYOPNTAOK-UHFFFAOYSA-N 438.601 4.528 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CSCCS1 1286960040 BXPRCJCFBPNOGF-WBVHZDCISA-N 447.699 4.720 30 10 IJEE CC(C)(C)OCc1cccc(Cn2c(C3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1287079083 BVFYFPWZPOANNC-XMMPIXPASA-N 425.552 4.741 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21)N(C)C 1287321323 FGCHLYGSLIYXNM-WXFUMESZSA-N 434.632 4.952 30 10 IJEE C#CC[C@]1(C(=O)Nc2cnccc2-c2ccc(N(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1288782946 VKDJPNSLLVKEDP-AREMUKBSSA-N 448.567 4.546 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCN(Cc2cccs2)CC1 1290091532 HLMBBSFUZUHOLO-FQEVSTJZSA-N 448.640 4.966 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2csc(CCc3ccccc3)n2)c1C#N 1294538555 GEEWMWJVQLDHCV-UHFFFAOYSA-N 434.590 4.724 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCCc1nc2c(s1)CCCC2 1300439715 GSNUOLWFKJDUDR-UHFFFAOYSA-N 425.989 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCSC(F)(F)F 1300797640 GIRQRRQUBFYJMY-HXUWFJFHSA-N 431.487 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](COC)C1 1300876689 RZCUJYRKHNXUQW-WPYKKVEZSA-N 438.616 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nnc(C)s1 1300900854 SXVBAYZSUBMKSF-SFHVURJKSA-N 440.617 4.840 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1301170089 NTKFQBSQHDRJCK-SIKLNZKXSA-N 437.588 4.507 30 10 IJEE C#CCN(C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656050 PZCNJESOMRBVCC-DLBZAZTESA-N 430.511 4.607 30 10 IJEE C=C(C)COc1cc(CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)ccc1OC 1308515907 UKJDMGFJXZSZCB-IBGZPJMESA-N 444.597 4.683 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cc1Cl 1309217134 HWOYWFFJTJCMQC-UHFFFAOYSA-N 437.952 4.817 30 10 IJEE CSC1(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H](C)C#N)CCC1 1316401436 AYEDCBUGTBCMES-LBPRGKRZSA-N 440.436 4.651 30 10 IJEE C=CCO[C@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C1 1320031060 VNIMGVUWGPNRLB-INIZCTEOSA-N 425.912 4.904 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)C1 1320964156 SCDFKLNSEOKGTR-KAZHMNLESA-N 439.440 4.912 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)c(OC)c1 1347809620 TXSLUATXYWFQCJ-NHCUHLMSSA-N 434.561 4.701 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCc1cccc(C)n1 1358875373 OMIYIKKGBRBDOX-QGZVFWFLSA-N 438.373 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[C@H]1C[C@H](F)C1 1358878553 ZDYVOUOOCYROSK-YDHLFZDLSA-N 439.760 4.957 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1358934029 NJMBQCRTJUGKBK-HXUWFJFHSA-N 436.600 4.573 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCSC(C)(C)C1 1359051213 PMXMCYUMFVOBRK-INIZCTEOSA-N 446.711 4.830 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCc1ccc(Br)s1 1359069093 BAKPYTGXLFHFES-HXUWFJFHSA-N 433.419 4.995 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C)cc2)CC1 1359157375 HMUKTYMDUMSBPO-NHCUHLMSSA-N 444.023 4.584 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@H]1C[C@@H]1C 1359196940 YFCZPYNDEILKRV-RXVVDRJESA-N 434.588 4.999 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1359214767 LKINZYUMWFNBRC-OAQYLSRUSA-N 426.536 4.724 30 10 IJEE C=CCCCn1c(N(C)Cc2ccc(F)c(Cl)c2)nnc1[C@@]1(OC(C)C)CCOC1 1359221354 YUTJGTKSKQUQDF-JOCHJYFZSA-N 436.959 4.714 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(C)s2)cc1 1359308489 PRAVILDGVIFOQA-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C#CCN(C(=O)c1cc(C)c(OC)c(C)c1)[C@H]1CCOc2ccc(Br)cc21 1435176013 QBCIHYUPOSMGQL-IBGZPJMESA-N 428.326 4.674 30 10 IJEE C#C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(OC)cc12)c1ccc(Br)cc1 1436650328 AJDBDYLDBFDOLA-FQEVSTJZSA-N 435.321 4.988 30 10 IJEE CC1(C)CCCC[C@H]1CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1443664060 HOXULINZEFDGFZ-ICSRJNTNSA-N 432.406 4.764 30 10 IJEE C=CCCCCCN(C)C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 1444423550 LZBMIEQTDKSHIW-RTBURBONSA-N 442.629 4.540 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1450322131 COSDYELPXHICCG-LJQANCHMSA-N 434.565 4.605 30 10 IJEE C=CCCC1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CCCC1 1461527832 LBZSRSVQCHBNNY-QGZVFWFLSA-N 433.390 4.753 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C 1463571787 ALRWYFNEBXQRQO-UHFFFAOYSA-N 438.981 4.629 30 10 IJEE CC[C@H]1CCc2nc(O)c(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2C1 1464780162 WNNPIGLQSCNHAV-BVZFJXPGSA-N 441.531 4.876 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1cccc(Br)c1 1465091638 PYDJTALZLNCYAH-MRXNPFEDSA-N 445.785 4.534 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N[C@H]1CCCC2(C1)OCCO2 1466941305 DARMGJFRWLUAHD-ZDUSSCGKSA-N 444.347 4.783 30 10 IJEE C#CCNC(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 1468070212 ARPXWDKEEMEXMX-UHFFFAOYSA-N 425.685 4.809 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1469380462 UWIBQNKCBGANHH-INIZCTEOSA-N 441.247 4.564 30 10 IJEE C=CC[C@H](C)NC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1469671081 DJNAXLLUGZEVMF-HNNXBMFYSA-N 433.346 4.801 30 10 IJEE C#C[C@H](NC(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1470668429 WLOVTXKQIMQYSG-YCRNBWNJSA-N 449.954 4.632 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1472976291 WXEQJDOLXTZGTK-MJGOQNOKSA-N 428.602 4.650 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)cc1OCC 1474216533 XHVDKSWULAQXEM-IOMROCGXSA-N 432.333 4.980 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(Cl)cc1F 1477606166 VCOSJYKEJQMZJE-HXUWFJFHSA-N 435.326 4.854 30 10 IJEE C[C@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)c1ccc(-c2cccc(C#N)c2)cc1 1477998334 CXAQBQMBQNASRG-FQEVSTJZSA-N 438.575 4.685 30 10 IJEE COc1cc(OC)cc(C2(F)CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)CC2)c1 1478842627 CDPGSRFKJLNMFT-QHCPKHFHSA-N 437.515 4.623 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507659710 DBATYSZILQYVCH-CBJLPSGESA-N 448.611 4.701 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C)s1 1507795896 NCZFDKNFSTXONJ-FXAWDEMLSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1507800968 ZVTDCPXPWXZVCU-BWKNWUBXSA-N 438.616 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1507803243 FQAKFQHJSGLBSW-APTRMMRNSA-N 439.991 4.634 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@H](OCCOC)C1 1507827320 HYPKDOHTDOIEIP-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507834952 CWNDYYRHGXNONR-DFIYOIEZSA-N 441.620 4.952 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1507879160 OUMLSDGMBYELOP-QHCPKHFHSA-N 426.948 4.872 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507881797 YOVLIJJYBXFDQO-OYRHEFFESA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507902735 GMUNUUCARDADDX-HXUWFJFHSA-N 425.577 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1507914159 FTMJRQUIXKDLDR-RTBURBONSA-N 448.615 4.760 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1507915687 WTBIYJJJXBAGKW-UHFFFAOYSA-N 429.996 4.620 30 10 IJEE C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1507955361 GYFZAUPXLFWKHB-UHFFFAOYSA-N 429.572 4.866 30 10 IJEE C=CCCCn1c(COCC)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1507956610 QITOHSICJQKRSW-AWEZNQCLSA-N 429.512 4.640 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCSC1 1508009696 XARQDGUVMDNJET-QGZVFWFLSA-N 426.611 4.961 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(OC)CCCC1 1508027505 YCEGSFJITHRHTD-UHFFFAOYSA-N 431.540 4.604 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC[C@H](F)C1 1508034086 SZEBTVKIYRKAHE-CTNGQTDRSA-N 426.511 4.974 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cc(C(C)(C)C)no2)C1 1508118300 UXOJBPBLUURLMZ-HXUWFJFHSA-N 435.572 4.623 30 10 IJEE Cc1ccsc1CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H](C)C#N 1510445283 DMAIVQSOJYLZQD-CQSZACIVSA-N 431.512 4.755 30 10 IJEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCN(C(C)C)C(C)C)c1 1518366316 IDIJGJMKUJMOGQ-UHFFFAOYSA-N 438.620 4.593 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(C(=O)OC)c1)c1ccc2c(c1)OCO2 1521284669 WTWKHYOVMHSXBW-UHFFFAOYSA-N 445.471 4.614 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ccc(F)c2c1CCCC2 1523507335 GLHGAZJKKCWHQW-UHFFFAOYSA-N 426.484 4.766 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 1524983654 TTXHBYFDWVVVRB-GOSISDBHSA-N 431.330 4.528 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)C(F)(F)F)cc1 1525856419 OJTNSNRJZMQZIQ-QFIPXVFZSA-N 430.401 4.999 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1 1527817029 VEAXDFXPGWVDEL-PKTZIBPZSA-N 446.513 4.945 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)cc1 1533419038 GBPXWUVPSIVPND-UHFFFAOYSA-N 447.844 4.546 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC23CC3)c1 1534910880 GACPAHMYDXLPPB-OAQYLSRUSA-N 444.984 4.784 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1 1536763416 YYTHEJWIWTWFQD-UHFFFAOYSA-N 428.419 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1539029027 GRANKSNXDLNVOP-SKPFHBQLSA-N 438.616 4.674 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@@H]1CC 1539369619 NJKPQSPCYPDHRJ-FPOVZHCZSA-N 443.636 4.678 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1Cc1nc(C(C)C)cs1 1539390402 ONGQHIXGSKHHRG-UHFFFAOYSA-N 448.571 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@@H](C)CC 1539647874 YYLLFVDTBMBYLL-VNZMSGEBSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(Cl)cc1F 1539651494 HJGJHAXLFHTERL-QFIPXVFZSA-N 436.959 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](OC)C1CC1 1539659413 WNLKLBHNVFSJIK-GOSISDBHSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1539915727 CZCXAHWUQOBMQQ-PMACEKPBSA-N 440.563 4.623 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1539963149 LXOCBZWOGJVEKV-JOCHJYFZSA-N 442.579 4.589 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N1CCCC1 1540058424 VNNCDFNOKFLINP-IBGZPJMESA-N 429.927 4.790 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC1(C)C 1540133492 GRKIFCRSIYCFMQ-NLFFAJNJSA-N 442.579 4.697 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 1543023063 ADVOAMZWLIFDPU-YLJYHZDGSA-N 444.572 4.501 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 1545088869 XIBTWMNTMOCJER-UHFFFAOYSA-N 427.838 4.557 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 1545362463 XFHWPHOXUFKWST-LJQANCHMSA-N 440.506 4.956 30 10 IJEE CCOCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1CCC(F)(F)CC1 1548095262 APEHFWPIKIDCQT-UHFFFAOYSA-N 429.515 4.681 30 10 IJEE C=CC1(CC(=O)NCC2(OC)CCC(c3ccccc3)CC2)CN(C(=O)OC(C)(C)C)C1 1556514772 YYRCNZKUWLOWFV-UHFFFAOYSA-N 442.600 4.659 30 10 IJEE CCN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H](C)c1ccc(C#N)cc1 1559494483 HOMAGKFIWDFFLK-AWEZNQCLSA-N 426.492 4.982 30 10 IJEE C=CCN(C(=O)CN1CCC[C@@H]1COC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1560067035 PXZAUUGNTMKNAO-OAHLLOKOSA-N 440.396 4.747 30 10 IJEE O=C(N1CCC[C@@H](C2CCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)C1)C(F)(F)F 1560935575 BFDXTXFZCOPCCN-OAHLLOKOSA-N 440.403 4.857 30 10 IJEE C=CCN(C(C)C)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1561176489 CXYUIRAGWZMSTB-XZOQPEGZSA-N 433.017 4.534 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 1562104609 YDZIFANQBGFPNK-ICSRJNTNSA-N 449.617 4.516 30 10 IJEE C=CCC1(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)CCCCC1 1563429361 MNUHKCKSGZDFSS-XLIONFOSSA-N 437.987 4.819 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(C)[C@H](CC)Cc1ccccc1Br 1564067779 QFQWLMBJCSVLDN-LJQANCHMSA-N 429.358 4.624 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c1 1566089183 QSJUFEGHXPDKNQ-UHFFFAOYSA-N 434.517 4.540 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 1568551724 QAYXEYHRFRUXRC-UHFFFAOYSA-N 437.968 4.681 30 10 IJEE N#C[C@@H]1CCC[C@@H](OC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 1583558943 AOUOXLLBCCKMEY-CRAIPNDOSA-N 446.425 4.962 30 10 IJEE C#CCN(C(=O)[C@@H](CCC)c1ccccn1)[C@@H]1CCOc2ccc(Br)cc21 1586216289 CROUIHWPBGCNAK-FXAWDEMLSA-N 427.342 4.713 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC)[C@H](C)C1 1587706606 RMWOPNKYAUYKJR-JOCHJYFZSA-N 444.627 4.687 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@H](C)C1 1589006426 DYVNVUVOLZYLDX-OKZBNKHCSA-N 428.671 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CCc1ccc(OC)c(OC)c1Cl 1589142919 QWQGSFQQTNOXEP-QMHKHESXSA-N 430.980 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCN(C)C(=O)OC(C)(C)C 1589615789 UFIMWPLJBIKDCK-UHFFFAOYSA-N 433.984 4.868 30 10 IJEE C=C(C)Cn1c(N(C)[C@H](C)CCSCC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593677561 BQVMELWQSVNPSL-KURKYZTESA-N 437.654 4.593 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1593746364 CIDYTJBBKHJUND-UPVQGACJSA-N 437.632 4.518 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)cc2SC)CC1 1594023969 OQKRUKXYSQFNHX-XMMPIXPASA-N 442.629 4.554 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)OCC)CC1 1594128602 SOCMHYZOIBDRCA-UHFFFAOYSA-N 449.393 4.591 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1594456084 XTELZBMQCMMVBL-LJQANCHMSA-N 438.620 4.952 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](COCC)C2)cc1 1595607270 CQNINAINXDCGAJ-OAQYLSRUSA-N 436.556 4.713 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3cccc(Br)c3[nH]2)CCCN1C(=O)OC(C)(C)C 1597549162 JVMYYEANKUENQO-FQEVSTJZSA-N 449.349 4.610 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCSC2)C1 1611768833 DTIYKEJBXASWPD-GCJKJVERSA-N 430.021 4.796 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1615318248 GEKFZQNRJLKXEZ-NRFANRHFSA-N 425.532 4.656 30 10 IJEE C[C@H]1N=C(SCc2cccc(C#N)c2)N2[C@@H](C)N=C(SCc3cccc(C#N)c3)N12 1615951683 VIPXNDHQZJPTJV-HOTGVXAUSA-N 432.578 4.547 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OCCCCCC)cc1 1621724728 WDHLHOYUBDTQLT-FQEVSTJZSA-N 430.545 4.669 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CC=C(c2cccc3ccccc23)C1 1623839010 HEROZXSJYGSBFR-UHFFFAOYSA-N 433.305 4.779 30 10 IJEE C=CC[C@@]1(C(=O)Nc2c(C(=O)OCC)[nH]c3ccccc23)CCCN1C(=O)OC(C)(C)C 1624572516 RMMHIPWCAJELNT-DEOSSOPVSA-N 441.528 4.629 30 10 IJEE C=CCOc1cccc(NC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)c1 1625564680 UQHSQULCEYIFIS-UHFFFAOYSA-N 427.501 4.606 30 10 IJEE C=CC[C@H](CC)NC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1634783620 OYHYUQMNHOTMQE-AZUAARDMSA-N 443.588 4.934 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1635879896 FPJIMGQDWNZEHY-MXVIHJGJSA-N 445.604 4.724 30 10 IJEE C#CC[C@]1(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1637229147 IYPATAYXPNXQDQ-UQBPGWFLSA-N 428.548 4.715 30 10 IJEE C#CC[C@@H](NCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 1645099937 HMTQYZDMACEHBW-HHHXNRCGSA-N 448.570 4.569 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3Br)nc2C)c1 1649805923 HTOOTDFVTOBWTP-LJQANCHMSA-N 439.357 4.914 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1 1653341481 XLPHONFQIBURTF-SFHVURJKSA-N 430.957 4.512 30 10 IJEE C=CCOc1ccc(CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1Cl 1657852824 JNFCFQZRSLLQJA-UHFFFAOYSA-N 440.975 4.698 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1 1658299721 RKNMBOJMPJCCIP-UHFFFAOYSA-N 427.382 4.854 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(Cc3cc(F)ccc3F)CC2)cc1 1658977175 ALFXLDHXROHYHB-IBGZPJMESA-N 425.523 4.863 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1)c1ccccc1 1661009041 BXMIACUCDVHCJL-HXUWFJFHSA-N 427.522 4.904 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 1662705145 BRZOATXRTBXRHW-UHFFFAOYSA-N 427.740 4.996 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)c1ccc(F)c(F)c1 1663462837 DBKXDLNIHQSCHD-MRXNPFEDSA-N 436.705 4.976 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(F)cc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1668177724 WBCWMZSIHSONDB-KRWDZBQOSA-N 445.434 4.617 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1671851128 BLEVPEVRVBNDLJ-OXFYSEKESA-N 437.531 4.917 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)cc2n1 1673220462 JNLHTYRUEUYRTG-SFHVURJKSA-N 429.446 4.642 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1nnc(-c2cc3ccccc3o2)s1)C(C)C 1676370908 AHDQKTVVSHKLNF-QGZVFWFLSA-N 425.558 4.771 30 10 IJEE COc1ccc(F)cc1CCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1677478905 DUFHHZJVFWSBDH-UHFFFAOYSA-N 435.503 4.553 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Br)cc1 1682356735 MLRGPNMUAFKMHJ-NRFANRHFSA-N 429.333 4.927 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 1686700638 HWWIIHFCTQRDEH-DMDYGQEQSA-N 430.596 4.770 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C2CCOCC2)C1 1689919666 WGQZXNOJQFQHAD-KRWDZBQOSA-N 433.383 4.918 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1C 1690034464 ISUOSLIQXRAADK-MJGOQNOKSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1CC 1690037174 OVQCGKIDVUXPMC-AZUAARDMSA-N 439.401 4.997 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1690067392 YMZYMQDCWNVGQN-FQEVSTJZSA-N 440.016 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1(CC)CCOCC1 1690214736 UVSXBEKDOBSADO-RUZDIDTESA-N 436.600 4.618 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC(C)CC1 1690240038 AQFKSOJRGJCKDK-BVPCWRRESA-N 429.996 4.990 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCCOCCOC)CC1 1690367474 PUVFPPTVFIHJFU-LJQANCHMSA-N 444.645 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](Cc3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1690439406 FDPYNPRTURKNLF-NVQXNPDNSA-N 438.616 4.602 30 10 IJEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)C1CCCCC1 1690503529 DVJSIKVZCSHLKH-SFHVURJKSA-N 426.561 4.672 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCS1 1690619783 CYMNGHJWRMQONE-IBGZPJMESA-N 439.585 4.525 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)C[C@@H](C)CC 1694604952 FFYIEEORZWRWMQ-SFHVURJKSA-N 433.604 4.596 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCOC1CCCCCC1 1705545678 JRZFRBARJBBYGM-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1ccccc1F 1705678947 VRWIFHCTMNXQIT-RQNQAMLKSA-N 438.591 4.961 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H](C)CC#N 1705710415 XWYXQBXLZQZNCJ-KNKQGSTJSA-N 425.602 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[S@](=O)C(C)(C)C 1705714526 VLIAUWGAWNGAOZ-HKBQPEDESA-N 441.601 4.550 30 10 IJEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1705741381 ODTZBFIPEIGNNJ-MRXNPFEDSA-N 437.371 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1c1ccc(O)cc1 1705787399 RGYNSXHAPPHUAN-NRFANRHFSA-N 439.604 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(C)c1C 1705865324 JHBUIEZZCUDYBS-UHFFFAOYSA-N 438.988 4.943 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1705890489 SHRWQJQVYOBJOX-OALUTQOASA-N 449.665 4.689 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1CC1CCCCC1 1712443541 GYCZBPOVTWZWOQ-UHFFFAOYSA-N 433.556 4.952 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC(F)F 1722480419 QPASWWIBVHIUJB-UHFFFAOYSA-N 437.235 4.547 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722542681 FYIVIUBNXPIECL-CTNGQTDRSA-N 444.023 4.561 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC2(OC)CCCC2)CC1 1722581289 BAQOLGQXISVDRW-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1722593212 KENLABHZFMAONC-SWUCNREESA-N 438.616 4.987 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1722597545 UHIFIMSLNMEFKW-QFIPXVFZSA-N 437.632 4.579 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722611591 KMEMRZGMVWYJAX-UYAOXDASSA-N 428.577 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(N(C)C)cc1C 1722635491 RTDKUJLYFJKNJE-UHFFFAOYSA-N 446.418 4.814 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1722653853 MMFAKFMUGFZVID-DENIHFKCSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(SC)c1 1722654997 BCFUJDCDBNOSHD-UHFFFAOYSA-N 441.564 4.503 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1722732808 PNGBHWZPTMRJNM-IOMROCGXSA-N 446.592 4.624 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)(N(C)C)C1 1726517722 GRFLIOCQTFHCDM-KOSHJBKYSA-N 441.023 4.849 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1740569163 CZBGTDUKFXUKGD-UHFFFAOYSA-N 434.563 4.618 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740570231 CWJCRYFTZHUZOE-AREMUKBSSA-N 446.599 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCN1CC 1740768744 BZFWIGSDXLKXEX-IBGZPJMESA-N 446.437 4.903 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCSCC2)cc1 1740773163 UPDXGJUHEHJLLW-UHFFFAOYSA-N 448.640 4.652 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1740848654 NVZFFFIPOWARHP-QWFCFKBJSA-N 430.618 4.802 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1740912594 KSVNIFPYXMIFTR-HXUWFJFHSA-N 443.636 4.813 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC=CCC2)C1 1740975099 SAQFSJXPICTRMK-YLJYHZDGSA-N 430.499 4.684 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](CC)C1 1740998297 MENYTZSPQXOWPM-MRXNPFEDSA-N 439.050 4.858 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCCCC1 1741002707 LDWRCUMCPHNGOI-UHFFFAOYSA-N 449.665 4.692 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC(C)CC1 1748656103 LSTZAEYSFPGXHL-LJQANCHMSA-N 444.023 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1(CC)CCOCC1 1749060287 NXCQPGPSPNYPMC-JOCHJYFZSA-N 430.955 4.937 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC(n2ncc3ccccc32)CC1 1749104524 WDPPNPJZJKKMPU-UHFFFAOYSA-N 443.393 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1sc(C)nc1C 1749159656 WSIMQZFBYXGCOY-FQEVSTJZSA-N 439.585 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](c1ccsc1)N(C)C 1749161767 DKOURQKSBPLDTL-OAQYLSRUSA-N 445.583 4.914 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(CC)s2)CC1 1749348691 VSGXOZAMPBUHSG-UHFFFAOYSA-N 433.581 4.803 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1749398887 VAYMONXAMLQRNV-QGZVFWFLSA-N 438.601 4.672 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)c1cccc(C)c1 1749506387 HVDSALGCYHZOER-NRSPTQNISA-N 439.604 4.783 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1749515225 SLIUGACDSODAQD-CVEARBPZSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCCCC1 1749550646 FYFLMDRMXVKPKE-UHFFFAOYSA-N 436.629 4.859 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCc1csc(C)n1 1749585058 WVCOLPTVDZDYMO-QFIPXVFZSA-N 437.613 4.762 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CCN1CCC(C)CC1 1749587509 XJDMDIMWPAMHJO-UHFFFAOYSA-N 437.563 4.644 30 10 IJEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC(CC(F)(F)F)CC2)cc1 1749685781 KCBOFKQPJVFXPW-UHFFFAOYSA-N 438.494 4.597 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H]2CCC[C@H]21 1749764086 QZFDOCXRAZUWOF-RTBURBONSA-N 428.602 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1c(C)noc1C 1760334579 FKRNWBJOQUFXKN-UHFFFAOYSA-N 432.528 4.850 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1760377866 QIRXXGKXQXIUNU-SFHVURJKSA-N 435.380 4.914 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CC2(OCC)CCCC2)CC1 1760405944 MNLJZHVHTIVKTR-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CNC(C)=O)CC1 1760410114 TZUVZLCKLMJSBU-UHFFFAOYSA-N 429.996 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1760410577 JQUIZFYYXXEKDV-UHFFFAOYSA-N 432.572 4.731 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760432634 QNQMQRQRYWUFKL-RDTXWAMCSA-N 437.357 4.674 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(CC(F)(F)F)CC1 1760437339 ZASGMMPLTNLPQY-UHFFFAOYSA-N 444.505 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cccs1 1760486026 AHPSCGLIFJZRLQ-JOCHJYFZSA-N 437.594 4.563 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760486950 FNYIUXVEOXDHST-DVECYGJZSA-N 427.662 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1760487238 MOIUMEYUEVCNAH-UUOWRZLLSA-N 440.588 4.813 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1nnc(C(C)(C)C)s1 1761357609 GOUSWCNBPBQBEK-AWEZNQCLSA-N 435.557 4.627 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)c(C)o1 1761649444 FOSLQPPJTBBRHS-RUZDIDTESA-N 433.556 4.561 30 10 IJEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1765197633 DEVQONHDQIWOPY-HYBUGGRVSA-N 444.583 4.800 30 10 IJEE CO[C@](C)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N)C1CC1 1769535623 GULQDONFBUIVKP-ZMPRRUGASA-N 431.968 4.625 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1)CC2=NOC(=O)c1ccc([N+](=O)[O-])cc1 1772722189 ANKHYDOKWNDVEA-RPWUZVMVSA-N 435.480 4.963 30 10 IJEE CCCCOc1ccc(CN2C(=O)C(=NO)c3cc(Br)cc(C)c32)cc1OC 1772729086 WDLOPRHRGNEHSQ-UHFFFAOYSA-N 447.329 4.670 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12 1858243134 RRHKXPXTWDGCRB-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 1860736838 GAUUBPRNVBFJEA-AXKJTDLESA-N 443.584 4.520 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(F)cccc1Cl 1862434881 JCBDXFQJYNEFEH-SFHVURJKSA-N 438.282 4.747 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)ccc1O 1862549061 HLCBBUZGIVVICS-XMMPIXPASA-N 449.547 4.904 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1 1862581516 JTVSVYMLRGFGCI-IBGZPJMESA-N 448.302 4.926 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862594827 HLTCVSUKIIXCSK-LJQANCHMSA-N 425.893 4.886 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(F)c1 1862626872 HMTAWMCKWUVPCC-NPMXOYFQSA-N 445.446 4.894 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2Br)c1 1862708154 NDYQAPFPONCPRA-IBGZPJMESA-N 444.325 4.692 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862746071 YAEUAHMBBNKLAC-YCRPNKLZSA-N 438.480 4.760 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862955830 JNADJHVIXSMXTP-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCn2ccnc2)C1=O 1863738684 DCQRECASJUZROR-UHFFFAOYSA-N 436.600 4.620 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)c1C 1870157234 QQUQPJLQRHIUPK-UHFFFAOYSA-N 444.322 4.860 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCC(C)CC1 1870527949 KCJHTXMFKVNUIY-QFIPXVFZSA-N 447.664 4.734 30 10 IJEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(OC)cc2)cc1=O 1870833358 FVASHKRXPPGCPH-QHCPKHFHSA-N 428.573 4.997 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(CCCCN1CCCC1)CO2 1871348448 GLKXEOBEJHBELJ-HAHDFKILSA-N 436.527 4.778 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871370829 GSONGURCARXMRY-NDENLUEZSA-N 446.371 4.647 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1Cl 1871410135 AGZKBXAKTNMBPN-GMDDEGIZSA-N 439.851 4.964 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871454625 UQLIIPFATIEZDS-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE CCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 1871592719 DLZGTBAEZUFCNZ-UHFFFAOYSA-N 444.933 4.970 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871879381 SNSZSNGLXIDHJZ-HXUWFJFHSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 1871905204 PXLWGHKNZVYLNY-HSZRJFAPSA-N 444.597 4.706 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872249637 MPEWNGZHZOPCNQ-OAQYLSRUSA-N 444.597 4.605 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872536311 FAKUDRMREDJIAC-XXBNENTESA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N(CC)CC)cc1C)[C@@H](C)CC)S(=O)(=O)C1CC1 1872589683 ROZQJQFISWMCGU-MBSDFSHPSA-N 449.661 4.565 30 10 IJEE N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccccc2Cl)cs1 1872764231 HUZSKOMCGADXSP-WMZOPIPTSA-N 435.936 4.688 30 10 IJEE CCOc1ccc(CCc2nc3ccc(C(=O)Nc4ccccc4C#N)cc3[nH]2)cc1OC 1872804727 HZVJXPGLFNWVNR-UHFFFAOYSA-N 440.503 4.879 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Nc3ccccc3)cc1)n2CCOC 1873613062 VLJOCLODKGNLRE-UHFFFAOYSA-N 442.523 4.672 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873616006 TXLUGQWIVWEQDA-UHFFFAOYSA-N 445.498 4.672 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1OC 1874321203 FILJGULUQQRUAW-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE C(=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1)\c1cccnc1 1874355747 ZMYVJXYEDXERRX-YZSQISJMSA-N 429.549 4.607 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2ccco2)c1 1874415613 ZFBHDYRSGBJDIZ-MFKUBSTISA-N 445.548 4.692 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874427694 WKSJQCCMOWIPGW-WYMPLXKRSA-N 448.379 4.752 30 10 IJEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cn(C)c2ccccc12 1874472415 DOJCSMLLVJJUCH-AFUMVMLFSA-N 433.581 4.750 30 10 IJEE CC(C)(C)c1nnc(SCCO)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874486639 CYKHPHCGHSEIKN-ZVHZXABRSA-N 444.988 4.775 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)c1 1874581069 VEBOGTZMNOZLII-GXDHUFHOSA-N 431.488 4.926 30 10 IJEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)OCCO2 1874582038 SMTUSWQYDCZKRA-VAWYXSNFSA-N 445.515 4.754 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])o1 1874627149 FSZGMLIDEQRBQQ-FARCUNLSSA-N 443.358 4.728 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C3CCC3)c2)c(OC)cc1Cl 1874711757 JLXPDUOYZNFNKD-VQHVLOKHSA-N 430.884 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)c(OC)c2)cc1 1875114983 HBCURDNCLFOAOV-RIYZIHGNSA-N 448.471 4.593 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)[C@H]1CCCO1 1875181799 YHAIQILLMZFWQH-CPSHHHPTSA-N 430.884 4.646 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CCO1 1922113598 SDIDZXPHUMWAGD-HWBMXIPRSA-N 432.605 4.590 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1c(Br)cccc1Br 1937822767 DQIYYLCQNPLDPL-GJZGRUSLSA-N 449.183 4.584 30 10 IJEE C[C@H]1CN(c2ccc(C#N)c(Br)c2)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297141 POYMQNYTCXUNFU-IYBDPMFKSA-N 428.330 4.557 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1cc(C#N)ccc1Cl 2010517725 SOHKOKXNXBRDFU-SFHVURJKSA-N 443.931 4.650 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 2089286434 NYVAHGDNKKYMKX-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1cc(Br)c(C#N)cc1F 2107377157 BQLHYWPVWLPSBA-SJCJKPOMSA-N 426.330 4.907 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1cc(Br)c(C#N)cc1F 2107377158 BQLHYWPVWLPSBA-SJKOYZFVSA-N 426.330 4.907 30 10 IJEE C=CCC1([C@@H](NC)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2116828779 KBHZHRWDGZJNGG-KRWDZBQOSA-N 427.358 4.970 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCCC 2145540170 ATSYHYVKRMPHMK-UXHICEINSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc(Br)c(C#N)cc3F)[C@H]2C1 2162344257 VWMAMOGFACXONO-RVSPLBMKSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1cc(Br)cc(F)c1C#N)C2 2174810026 HOBDTZJOKJYYSL-RBZFPXEDSA-N 438.341 4.591 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OC)c(Br)c1OC 2183072791 FKWYTJYWJPSBIZ-WMLDXEAASA-N 443.382 4.586 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(Br)c(OC)c1 2192140537 UHQRMMSFVYRWRK-FGZHOGPDSA-N 434.374 4.632 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2c(F)ccc(Br)c2F)NCC)C1 2197745820 PWHRHXSIOXGQST-INIZCTEOSA-N 445.348 4.861 30 10 IJEE CC(C)(C)OC(=O)NCc1ccccc1CC(=O)C#Cc1ccccc1Br 2235718175 CWLPCDOXDPYBFT-UHFFFAOYSA-N 428.326 4.637 30 10 IJEE CC[C@@]1([C@@H](C#Cc2ccccc2Br)NC)CCCN(C(=O)OC(C)(C)C)C1 2235724017 VBPAIASAHVXYHQ-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C 2235732919 SRTPLLDZWYMMBM-NSISKUIASA-N 437.422 4.964 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)NCCC 2250542082 DVXKJSRIQOFMAK-XZOQPEGZSA-N 432.605 4.544 30 10 IJEE CCc1ccc(C#CC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 2256780806 SMIKWBGQQCNELS-UHFFFAOYSA-N 433.548 4.624 30 10 IJEE CCN[C@@H](C#Cc1ccc(OC)nc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2263730566 MSPPHUNELNGTKJ-HSZRJFAPSA-N 437.584 4.637 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2278270880 AUGKDRSAFDTYOY-XJKSGUPXSA-N 445.423 4.867 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CN(CC1CCCC1)C(=O)OC(C)(C)C 2288038528 VDZNWOBLTWWOJW-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCN[C@@H](C(F)(F)F)C1 2294626420 OLOBJQOJHJRNJQ-RHSMWYFYSA-N 448.283 4.767 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1 2295987693 RYWHKTYMJLACQR-DEOSSOPVSA-N 442.515 4.836 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@](C)(NC(=O)OC(C)(C)C)C1CCC1 2296224323 IUHFNEQASBYBOY-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(C)o3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 2296562344 BVWLNZLTCSQAAU-QGZVFWFLSA-N 433.247 4.818 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCC#N)c(Cl)c2)C1=O 2297560099 MVCBPNDEONKGIB-UHFFFAOYSA-N 440.908 4.786 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(CCc1ccccc1)CO2 2321937338 CQRXYDRNRQGFAB-UHFFFAOYSA-N 441.483 4.735 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(CCCCN1CCCC1)CO2 2322379309 RIRBTCHBLDGSBX-UHFFFAOYSA-N 436.527 4.778 30 10 IJEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCN(C)C)C4)C2=O)cc1 2322383989 ORAAJVLIFKYGIL-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)ccc3C2=O)c1 2323260331 VPLUWZHTYSKQFP-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccncc2)C3=O)c(OCC)c1 2323780771 PKKDEMDVMSZIFQ-UHFFFAOYSA-N 431.444 4.714 30 10 IJEE CC(C)c1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c([N+](=O)[O-])c2)cc1 2324161805 QVMPNMDWADFGCV-UHFFFAOYSA-N 448.475 4.903 30 10 IJEE Cc1cc(O)c(CN2CCN(Cc3ccccc3)CC2)c2c1C(=O)C(=Cc1ccccc1)O2 2324193099 UZSKFMMGLVJKJT-UHFFFAOYSA-N 440.543 4.635 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325118548 KLFCUNIJOYATKT-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CC(=O)c1sc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)nc1C 2325249729 IBKYXBFGGUXEKO-UHFFFAOYSA-N 448.500 4.596 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)c2ccccc21 2325728253 ZYSONLDWGZVCAU-UHFFFAOYSA-N 442.446 4.951 30 10 IJEE CCCOc1c(OC)cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1OC 2326341984 PUVMZGZPRKEJPJ-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(O)cc1O 2327272445 GHPLKSBMFHYUHI-UHFFFAOYSA-N 438.553 4.744 30 10 IJEE CCCOc1cccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC)c1 2328475083 JVQNXBCBZMIXIK-UHFFFAOYSA-N 425.514 4.560 30 10 IJEE OCCCSc1nnc(CCc2cccs2)n1N=Cc1c(Cl)cccc1Cl 2329686979 HJIJNKWYAHAOLY-UHFFFAOYSA-N 441.409 4.788 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2ccco2)cc1 2330467654 DKTIIQLEVXEKMP-UHFFFAOYSA-N 445.548 4.637 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330588827 BQQWVDLBFKKZAD-QFIPXVFZSA-N 429.561 4.856 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])cn1 2330664488 AKGOCAILWLREHE-UHFFFAOYSA-N 439.427 4.962 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1 2330675235 USAIJEKFGJEVRQ-UHFFFAOYSA-N 433.581 4.677 30 10 IJEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)ccc1O 2330824364 SDFYRIYDSHLFQV-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE COCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(Br)c1 2331238677 LASPKJDIKJGSSB-UHFFFAOYSA-N 445.386 4.712 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)c(OC)c1 2331396397 ULOGGHAAMFDCRU-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339594196 PZITUCCTTAVWJH-YFPIXMDGSA-N 444.381 4.752 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2360197427 LUHZUMKSMPYEDW-FUOQNJDISA-N 434.374 4.635 30 10 IJEE N#Cc1ccc(COCc2cc(I)ccc2Br)c(F)c1 2367285131 OFLIJEJJQPHALG-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE COc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2cc(C)ccc2C)c2ccccc21 3041758 OFOBHHSFLUJVGH-VYIQYICTSA-N 444.560 4.550 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1)C2=O 8823815 IPLMIOSVJOMRKN-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCN(C)CC3)/C2=N/C2CCCCC2)cc1 22937243 RFMPPYYNFHWXFK-ZUSYLBMNSA-N 436.644 4.639 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 29204793 SAXNGAALTZEOLM-UHFFFAOYSA-N 427.464 4.758 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(C)c2)Nc2cccc(SC)c2)c1C 32971904 GHCTYCMHCNMUHC-UHFFFAOYSA-N 435.597 4.948 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C\C(=O)c3ccc(OC)cc3OC)cc2OC)cc1 34955300 WYHKEROVPDDLFU-ACAGNQJTSA-N 448.471 4.836 30 10 IJEE CCc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccc(C)cc4)c3O)c(C)c2c1 38624480 GDPNPCSJZAVJLA-UHFFFAOYSA-N 440.499 4.939 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)cc1 41355793 KICLPQULWRHYGY-XKZIYDEJSA-N 428.440 4.546 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)cc1 66227303 VHMKEFSNBBFWQG-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/CCc1ccccc1 102157881 KBHSRPGAJOXYPX-VHPLVOQASA-N 439.606 4.990 30 10 IJEE C=CCSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@@H]2c2ccccc2)s1 102606940 DHLGFQCUSFMVDE-RIBQPWQFSA-N 441.559 4.504 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)no1 102697556 JMEKKGMBZSPFDF-VZCCSQPZSA-N 429.259 4.916 30 10 IJEE CCN/C(=N\c1cccc(C(F)(F)F)c1)S[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O 105535289 AVTKTUPUCKHSPX-QGZVFWFLSA-N 435.471 4.676 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(O)c1 135882933 UIUHSBMRGRWHQU-MTJSOVHGSA-N 431.359 4.873 30 10 IJEE CCCOc1ccc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1[N+](=O)[O-] 169931805 JLIOOTLYHDWPSD-OAQYLSRUSA-N 439.537 4.792 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccn2)cc1 169991995 HHODUCYAAUGMLM-XMMPIXPASA-N 440.499 4.923 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2cccnc2)cc1 170006653 LOTYVKGKUVXZHZ-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1ccncc1 170018600 IFOMGPLCYBVMDN-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 170081835 FKLUOMVHKSEGCP-NRFANRHFSA-N 430.847 4.700 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170113623 SVMWCRAUTLLURX-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 170130946 OUOCQWUANAOHPC-QHCPKHFHSA-N 431.488 4.549 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccs2)c1 170138987 ZPCSBVAMTSKIAL-QFIPXVFZSA-N 447.512 4.606 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)cc1C 170144758 PKTOHXFEMRXNEO-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)cc1C 170145120 KKCHLSJLCMDAAU-XMMPIXPASA-N 442.515 4.876 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccn2)cc1 170171056 UKBKLPMBOQIRLN-FYSMJZIKSA-N 440.499 4.750 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1cccc(O)c1 170262891 DDVKORQMSUDNAX-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2C)cc1C(C)C 170273561 IOQFJSMJAGSOCT-CYFREDJKSA-N 449.547 4.884 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)c1 170294906 LGZDEXOACVFAIB-UHFFFAOYSA-N 439.560 4.793 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170366666 NMSWQWHJLAVITR-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccn2)cc1 170413628 VWYTXMWGUBOBSX-XMMPIXPASA-N 441.531 4.706 30 10 IJEE COc1cc2c(cc1OC)C(=NN=C(C(=O)c1ccccc1)c1ccccc1)NC(C)(C)C2 252607671 HDVJKOXLGHJKJI-UHFFFAOYSA-N 441.531 4.662 30 10 IJEE Cc1cc(C)cc(N=C2C(=O)N(CN3CCN(c4ccccc4F)CC3)c3ccccc32)c1 254441082 WTQFWBTUUIUMTB-UHFFFAOYSA-N 442.538 4.690 30 10 IJEE CCN=c1scc(-c2ccccc2Br)n1N=Cc1ccc(NC(C)=O)cc1 254766299 MGKMETVGANQSSB-UHFFFAOYSA-N 443.370 4.740 30 10 IJEE C=CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc2c(c1)OCO2 254792626 YKAQJXHCXWMITJ-UHFFFAOYSA-N 429.448 4.516 30 10 IJEE Cc1ccc(C#CCCO)c(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c1 390682651 YDIFGBZVQRFOGI-UHFFFAOYSA-N 440.587 4.551 30 10 IJEE CC(C)(C)[C@H]1CSC(=Nc2ccc(I)cc2Br)N1 393986893 AMXLJIHTMPJJRW-LLVKDONJSA-N 439.160 4.792 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 466682007 VYUVKWNFRZRZAE-CQSZACIVSA-N 428.436 4.919 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 508901860 HOWACMQHHDPHBF-YCZSINBZSA-N 436.581 4.737 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccnc3Oc3cccc(C)c3C)cc2C1=O 515445179 NKVVBKCYFRUDPA-UHFFFAOYSA-N 427.460 4.525 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccn2)ccc1Cl)c1nc(C(=O)OCC)cs1 534355413 UJADKZJEEBANDM-UHFFFAOYSA-N 427.913 4.868 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 549638695 MXPLJMQEDHTTAQ-QGZVFWFLSA-N 429.996 4.553 30 10 IJEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 549668351 WHYQUAUGKDOMDA-MSOLQXFVSA-N 433.622 4.542 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OCc3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 549904009 FFXWJIUQHXGESI-JOCHJYFZSA-N 448.542 4.999 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCN(Cc2cscn2)CC1 559800122 CQKUAQXFJJFLII-UHFFFAOYSA-N 447.564 4.855 30 10 IJEE N#Cc1cc(Oc2ccc(N3C(=O)N[C@@H](Cc4cccc5ccccc45)C3=O)cc2)ccn1 564548906 DMZGPJMPHIKYPJ-DEOSSOPVSA-N 434.455 4.566 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 615312670 NICCMNXQYWMUCM-KRWDZBQOSA-N 434.964 4.537 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 619742131 IQKAGPBXUBKKDH-IRLDBZIGSA-N 433.512 4.643 30 10 IJEE C=C1CCC(C[C@@H](NN)c2cc(Br)ccc2I)CC1 724582407 LPPSMNQBUMATJC-OAHLLOKOSA-N 435.147 4.695 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1C 733198449 XLVIHTDLQPPBEK-HXUWFJFHSA-N 441.503 4.565 30 10 IJEE Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCc3cc(Cl)ccc3OCC#N)C2)c1 735345213 NCXOXSMNLISCGO-KRWDZBQOSA-N 441.915 4.538 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1OC 743804906 ZWJMRVPJHNJITI-AZUAARDMSA-N 428.529 4.817 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 744029187 PYEYWINAKJZTRX-AUUYWEPGSA-N 443.341 4.689 30 10 IJEE CC(C)NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 780310393 ZQPVTZRASQRPOX-GOSISDBHSA-N 436.309 4.511 30 10 IJEE C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 780744756 ZGZPAHKDRSOTDZ-JXFKEZNVSA-N 426.923 4.881 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 790246949 BJVKBGXRLAPWNW-RUZDIDTESA-N 438.572 4.615 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802575534 ROGKMEQCLMMOCV-XMMPIXPASA-N 444.579 4.635 30 10 IJEE C#Cc1cccc(N=c2scc(-c3cnccn3)n2[C@H]2CCOC3(CCSCC3)C2)c1 803196198 SAXQCEYJYDRFQX-FQEVSTJZSA-N 448.617 4.838 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl 805784853 TYROMSOOUXRMDL-QGZVFWFLSA-N 432.351 4.598 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C#N 917703625 NYMXUKGZNYDFIK-LJQANCHMSA-N 438.940 4.666 30 10 IJEE CC(C)(C)NC(=O)CSc1nc2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2s1 1084540373 SAISADVGGZZNJL-UHFFFAOYSA-N 428.539 4.962 30 10 IJEE CCOc1cc(C=NO)cc(Br)c1OCc1ccc(Br)cc1 1084625697 WSWBMXGRIXCLCZ-UHFFFAOYSA-N 429.108 4.997 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1125063263 YOFJQGRUUVFOFI-UHFFFAOYSA-N 425.435 4.787 30 10 IJEE C=CCOc1ccc(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1 1128863061 AAXGFQSHIQOVEV-UHFFFAOYSA-N 434.496 4.630 30 10 IJEE COc1cccc(N(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C(=O)OC(C)(C)C)c1 1137977647 FJWPCCBCLFXUIX-UHFFFAOYSA-N 447.535 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 1143634022 FZUVCCIMGCXCLY-JOCHJYFZSA-N 435.524 4.865 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Br)cc(C(F)(F)F)c1)C(C)C 1144198126 UXAWSHWPGRQCKM-KRWDZBQOSA-N 433.312 4.896 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(-c3ccccc3)oc2C1 1148726678 ZSNQQBYQVZHWLU-SFHVURJKSA-N 430.932 4.867 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCSc3ccccc32)cc1 1171532606 FUUQEVQYLDGGSD-UHFFFAOYSA-N 446.576 4.915 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1212008692 JIFQSFYTSNPYTF-IFMALSPDSA-N 448.629 4.605 30 10 IJEE COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)Nc1ccc(Br)c(C#N)n1 1219696552 FOGLTZQFXZBVSM-SUMWQHHRSA-N 429.318 4.729 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 1224012052 JOZXXBAQMPAABX-FQEVSTJZSA-N 427.342 4.735 30 10 IJEE C=CC[C@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)C1 1230818053 XDSBICPUXAFNLA-IOMROCGXSA-N 431.552 4.526 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc2ccc(Br)cc2n1CC 1266768802 KTSRLMQEOIPEJZ-UHFFFAOYSA-N 430.302 4.644 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cn2cc(Br)cn2)s1 1275698283 FRDFOYXHVHJMNP-KRWDZBQOSA-N 430.371 4.673 30 10 IJEE CC(=O)N[C@H](CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)c1ccc(C)cc1 1276765990 GOQBYKWLNJRNHT-IIBYNOLFSA-N 431.458 4.522 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(F)c(COC)c1 1286365964 ONDHUEJAAXLSQO-UHFFFAOYSA-N 438.572 4.679 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(OC)CCC(C)CC1 1286406227 ROXQGPRAPVWYJF-UHFFFAOYSA-N 432.612 4.911 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC=CCC1 1286459525 NYVGABLGUUMVAH-HXUWFJFHSA-N 447.608 4.819 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1F 1286516875 AAASHUZJOUHDLA-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1286607921 LZGILKVIFBQBSK-KRWDZBQOSA-N 447.421 4.956 30 10 IJEE C=C(C)COCCn1c(N2CCC(C)(COC)CC2)nnc1C1(c2ccccc2)CCC1 1286614160 MRIUFOOPBYCWEZ-UHFFFAOYSA-N 438.616 4.594 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(C)CC1 1286707597 GDVFBNPWYSNGFG-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cnn(CC(C)C)c1C 1286716796 LQPWRWHKOPUWIM-UHFFFAOYSA-N 429.572 4.633 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC 1286747194 KJYXLZCEGVOQNA-UHFFFAOYSA-N 439.535 4.774 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@@H]1C 1286748722 ZGGKCPKPUHXBGO-SCLBCKFNSA-N 430.325 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(N2CCCCC2)c1 1286756042 OTZPDFWXEHGRRA-UHFFFAOYSA-N 449.990 4.606 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCC(F)(F)C1 1286765729 IRXUJJVPPZKALX-KRWDZBQOSA-N 449.502 4.708 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286770014 LHPWXXPRNJZDJX-OXJNMPFZSA-N 445.489 4.695 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286772102 MHHUTWSTJSUNKU-MRXNPFEDSA-N 444.421 4.513 30 10 IJEE C=CC[C@@]1(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1293210510 LQYNIFWUIBCUFE-XXBNENTESA-N 434.964 4.586 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 1293528366 UAFBZMFURQWUFP-SJLPKXTDSA-N 439.984 4.547 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCSC2)cc1OC 1294919864 BXDRIANMKWISPZ-ROUUACIJSA-N 443.617 4.624 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1296463009 LIPYFRAYYJBPCU-OZXSUGGESA-N 434.536 4.572 30 10 IJEE C=CC1(CC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1296848874 XKKWFYPSDMLLQV-UHFFFAOYSA-N 446.441 4.909 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1CC(O)(c2cccc(Cl)c2)C1 1299171515 ZYLZHYAPZIKSET-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@](C)(OC)C1 1300344619 FJBSIAHUKUZAST-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1300956085 NMZNZDYPTDMTIP-SFHVURJKSA-N 428.483 4.502 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](CC)C1 1301040452 FXYPSMLYKOAWDB-KRWDZBQOSA-N 438.016 4.772 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1301078797 WJHKESLSAMMHDB-UHFFFAOYSA-N 439.947 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C 1301150096 MQALSZQQEPYOJU-GOSISDBHSA-N 434.588 4.827 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)CCC)C1)c1ccccc1 1301162827 CQCYNZLRVAFNOH-FGZHOGPDSA-N 446.599 4.518 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301231831 RAIXWGBGCCAYPN-OAQYLSRUSA-N 434.588 4.558 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1301237370 QVFHMRKNZYQTFD-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F)C1CC1 1301330033 RWWYDBNUTKXOCQ-QFIPXVFZSA-N 434.506 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccnc1)C(C)C 1301362661 HTIJVHXCWUPUKU-IFMALSPDSA-N 437.613 4.871 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1301446084 XZUKWPOPEYAQJQ-SFHVURJKSA-N 432.515 4.800 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1301555895 DNACWLCJAXWWHW-DNQXCXABSA-N 449.574 4.624 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1302190324 VVPYXLSSKMSJPH-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE CCOC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1307673664 BSGKBWKDNFQFLV-SFHVURJKSA-N 427.504 4.691 30 10 IJEE CO[C@@](C)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N)C1CC1 1315142930 GRMKIBTYQDAVPE-HJPURHCSSA-N 427.618 4.829 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1cccs1)N1CCCC1 1358883255 RBBXDMRTJVQEFZ-PXNSSMCTSA-N 440.016 4.955 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@H]1CCO[C@H](C)C1 1358951835 NSRVQYAJHPPOLR-UXHICEINSA-N 445.007 4.526 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359055812 QBTZUTUMWXDYAS-FQEVSTJZSA-N 431.005 4.533 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1359124191 OFNJRYSTLFIARZ-JOCHJYFZSA-N 426.605 4.982 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nccs2)CC1 1359176327 UDFDVBKWWFIPGV-UHFFFAOYSA-N 448.365 4.754 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1359183251 HATMSHDCKTUTEX-IBGZPJMESA-N 443.611 4.864 30 10 IJEE C=CCCCCn1c(N2CCOC3(CCCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359206771 OQEOMVHVGZRUNB-VWLOTQADSA-N 446.636 4.605 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC2(CCOCC2)C1 1359210537 WZSRRHAHBVMEBM-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC2(CCCCCC2)C1 1359284519 VCFDJUQLXQUNHI-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC=C(Br)C2)nnc1C(C)(C)C 1359310733 FDXOZNVNSZNBEC-UHFFFAOYSA-N 431.378 4.678 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N(C)CC1CCCC1 1359311213 UXOAJDRVCYGURV-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C2CC2)C1 1359346579 OUTLXLNSKWCNDY-OALUTQOASA-N 447.649 4.506 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1ccccc1 1437071165 JJCIUYBANMRZDQ-HXUWFJFHSA-N 434.337 4.618 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2ccccc2OC)CCCC1 1442256154 CKOABQBCYQYILV-UHFFFAOYSA-N 431.536 4.688 30 10 IJEE C#CCN(Cc1c(OC)cc(F)cc1OC)[C@@H]1CCOc2ccc(Br)cc21 1461986994 MXTSTSOEHMFZSO-GOSISDBHSA-N 434.305 4.564 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc1 1464677618 XCSKXPQSXNPBBT-UHFFFAOYSA-N 443.528 4.618 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)C(C)C 1464872125 RHIGCNZBCQIKBJ-JOCHJYFZSA-N 437.632 4.801 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2 1466572376 OLQWKTQKRHMANV-UHFFFAOYSA-N 443.617 4.816 30 10 IJEE N#Cc1ccc(CCNC(=O)NCC2(c3ccc(Br)cc3)CCCC2)cc1 1468995590 HRLLTWUCWSDRME-UHFFFAOYSA-N 426.358 4.674 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@@H](c4cccc(Cl)c4)C3)CC2)c(F)c1 1478807776 FQWJOFNODMUSEE-CTNGQTDRSA-N 440.950 4.909 30 10 IJEE C=CCCC1(CNC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)CCCC1 1478965671 CAHXLPUURPWYID-KRWDZBQOSA-N 441.385 4.565 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCC(C)CC1 1507530822 XOXOBJCZYIIBBN-KRWDZBQOSA-N 434.415 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1ccc(OC(F)(F)F)cc1 1507540673 IGFVNEFDVOLNNE-HNNXBMFYSA-N 434.487 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OC)c1ccccc1 1507680733 LPEYQQYSBUNEKE-GHTZIAJQSA-N 434.609 4.979 30 10 IJEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N(C)CC1CC(F)(F)C1 1507781191 QVPUKGJPOWWWDD-UHFFFAOYSA-N 448.315 4.883 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1507784783 KEZSMOKJVJKEPF-INIZCTEOSA-N 447.377 4.846 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCSC 1507795596 LTOUZVHXTSZHLR-SIKLNZKXSA-N 437.613 4.664 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1507823239 YKVSEPDLDIAFDY-HNNXBMFYSA-N 430.325 4.745 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1507827249 CBVSSPKQQMIEMJ-FQEVSTJZSA-N 432.959 4.900 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cn(CCCC)nc2C)CC1 1507888726 PIMRFBBTKFSVLG-UHFFFAOYSA-N 434.588 4.675 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2c(F)cccc2OC)CC1 1507915724 XRYCKZQKKNQKJY-SFHVURJKSA-N 429.584 4.868 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCO1)C1CC1 1507989223 YEXNJFBPEWQVMG-FQEVSTJZSA-N 435.341 4.571 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1OCC(F)(F)F)C1CC1 1507990931 WPRIQPPXBOPXEL-UHFFFAOYSA-N 445.489 4.736 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1507996118 GKHHLBMRXDYMFU-QHCPKHFHSA-N 439.648 4.798 30 10 IJEE C=CCC(C)(C)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OC(C)(C)C)C2 1516610016 NZJMDIGQYMIJIO-UHFFFAOYSA-N 436.574 4.759 30 10 IJEE C=CCC[C@@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)c1ccccc1 1521476788 RBOWEMKNABYSGP-HXUWFJFHSA-N 443.385 4.664 30 10 IJEE C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1521996744 AWAFEXOKNUWEHP-VFZGTOFNSA-N 425.300 4.753 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccn(-c2cc(C)ccc2OC)n1 1524983184 GMTYQJBZMLVYDR-UHFFFAOYSA-N 442.313 4.769 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Br)c(C#N)n1 1526375601 ZHZQSKQJVXZFQA-CSKARUKUSA-N 426.192 4.656 30 10 IJEE C#CCCOc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(C)cc2)cc1 1529285071 JHBUBWZUKXUJIC-SANMLTNESA-N 438.527 4.997 30 10 IJEE C#CCN(C(=O)[C@@H](CC)Oc1ccccc1F)[C@H]1CCOc2ccc(Br)cc21 1529627608 RONPXXCZWDQSCD-RBUKOAKNSA-N 446.316 4.731 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(F)cc(Br)c3C2)cc1OC 1530889835 NSFJTRAMFRWYHB-ALCCZGGFSA-N 446.316 4.760 30 10 IJEE C=CCCC[C@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 1532877395 JYCFJNXCCQLVBA-XUZZJYLKSA-N 426.988 4.970 30 10 IJEE C[C@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1Cc1ccccc1 1533759272 GQXAUJMJIGOLLQ-LVXARBLLSA-N 439.559 4.920 30 10 IJEE C=C[C@@H](CC(=O)N[C@@H](C(=O)OCC)c1c(C)nn(Cc2ccccc2)c1C)c1ccccc1 1537020640 CYIIUKFKRCHNRT-BKMJKUGQSA-N 445.563 4.629 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCCC1(C)C 1539034672 HKQSAHRULSCYOA-AOMKIAJQSA-N 433.021 4.623 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCSC2)C1 1539101683 FPESRRBHUPFDNM-GOSISDBHSA-N 437.432 4.516 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC[C@H]1CCCCO1 1539162872 YVOARMUUHVJEFE-HXUWFJFHSA-N 434.540 4.536 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CC(F)(F)C1 1539295503 BKGOWNJXEAJNIV-LJQANCHMSA-N 426.511 4.543 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCSCC 1539345609 WJSPYQAIKODABN-UHFFFAOYSA-N 425.627 4.980 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(Cc1cccs1)C(C)C 1539626568 FKXHRAWWWJYBOE-RXVVDRJESA-N 425.602 4.741 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1539894589 MOHLVEHEERZTPW-QGZVFWFLSA-N 426.561 4.939 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1539952589 HEJGQICFMQSEPZ-LJQANCHMSA-N 444.023 4.943 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccc(C)cc1 1540072424 ULFGXXLGMNHPJU-OAQYLSRUSA-N 439.604 4.566 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(F)CCC1)C1CC1 1540116349 RAKYUFFZBABAFD-SFHVURJKSA-N 433.572 4.787 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC1(C)CCCC1 1540129460 VGKJFGUWKNZVFX-UHFFFAOYSA-N 443.599 4.784 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC1(N(C)C)CCCCC1 1540133348 HHINPGKYOUEWMQ-UHFFFAOYSA-N 444.627 4.721 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1540177696 TUZXQEAFOZMEHZ-VXKWHMMOSA-N 439.648 4.524 30 10 IJEE C=CCNc1ncc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)s1 1540484880 UNIUZSDTIYLTCL-UHFFFAOYSA-N 429.549 4.866 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1540974057 VUUKROPPPAKBJF-GOSISDBHSA-N 442.903 4.720 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2occc2C)CC1 1542023335 HDONEVVSGQTUGF-UHFFFAOYSA-N 438.329 4.646 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)cc1 1544324226 AMVFPMNTTJXFOI-UHFFFAOYSA-N 433.411 4.758 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1 1546025943 XUVIKZLZPWKHNA-GOSISDBHSA-N 449.864 4.836 30 10 IJEE C=CCn1c(SCc2c(C#N)cccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 1559330952 WYOAMEQXOVZJGV-UHFFFAOYSA-N 438.534 4.595 30 10 IJEE C=C(C)[C@H](NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccc(F)c(F)c1 1559767299 WUDVXZHKAAABSW-NQIIRXRSSA-N 436.543 4.978 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(I)cc2)cc1 1560497488 RZDWSEISHORFEY-UHFFFAOYSA-N 432.305 4.718 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)cc1OC 1560640436 QEGINNCDBOUBKD-KRWDZBQOSA-N 442.364 4.527 30 10 IJEE C=CCC[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1561402489 MXSSWIPWQDMZRQ-SFHVURJKSA-N 428.432 4.741 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](C)C[C@@H]3c3ccc(CC)o3)ccc2c1=O 1566092104 VXPZPBJAHPHTIX-FOIQADDNSA-N 437.565 4.640 30 10 IJEE C[C@H](NC(=O)CCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)c1ccccc1 1585624378 FKIUSKWQAYLQEC-SJORKVTESA-N 431.458 4.604 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](CC)C2CC2)c1 1587535642 JCUODVIAVPNGBJ-NRFANRHFSA-N 432.973 4.640 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](COC)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1587764413 DCLHVRNCGWPBDV-FDDCHVKYSA-N 436.980 4.532 30 10 IJEE C=C(C)CCNC(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 1587881532 GVMUHDQKNYXVCA-UHFFFAOYSA-N 436.581 4.638 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C)(C)c3ccc(C(F)(F)F)cc3)n[nH]2)c1C 1589126386 VZHQUBUVJVCLFQ-UHFFFAOYSA-N 431.462 4.760 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1594679557 GVXMFCWWBVKWPQ-UTKZUKDTSA-N 426.492 4.694 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1cscc1C)C1CC1 1595027070 XLMFDDDGWPOYCB-UHFFFAOYSA-N 432.391 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCc2cc(OC)ccc21 1595223431 UKFIIKDCVJDTBQ-FQEVSTJZSA-N 449.624 4.941 30 10 IJEE C=CCn1c(Sc2ncnc(F)c2Br)nnc1-c1ccc(Cl)cc1 1611760688 ONPVLOMKRBSXOV-UHFFFAOYSA-N 426.702 4.627 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)c2c1 1612709114 HOHCRHWJVKSKMI-OAHLLOKOSA-N 426.879 4.607 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1612740962 CZEUAMZENVIUCK-ZFGGDYGUSA-N 434.632 4.954 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1 1613389560 CSIYNJUZHLTOQE-LJQANCHMSA-N 436.604 4.528 30 10 IJEE C#CCN(CCC(=O)Nc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1615535190 AQHZUJUMJNYDOD-FQEVSTJZSA-N 427.342 4.545 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CCc1sccc1C 1619898078 GGYSWWFKVKXXDC-UHFFFAOYSA-N 437.613 4.713 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)Cc1c(Br)cccc1OC)c1ccccc1 1622506328 JKYCZSPXMLWWOD-IBGZPJMESA-N 438.387 4.975 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 1623075308 GRMLJMOPIUWQQK-SFHVURJKSA-N 438.597 4.733 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 1626236492 LMIDPEQLAHLEKB-INIZCTEOSA-N 430.892 4.797 30 10 IJEE C#CC1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)CC1 1627356976 GESZIZVBDLKLEY-UHFFFAOYSA-N 444.556 4.640 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](C)CSc1ccccc1OC)c1ccc(Br)cc1 1631352984 WYBBNVPKWIVKPO-MAUKXSAKSA-N 447.398 4.860 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 1635932085 KAWHONKUATWDGQ-NRFANRHFSA-N 430.593 4.912 30 10 IJEE C#Cc1cccc(CNC(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)c1 1636158503 RGXXGMZKXGTGET-UHFFFAOYSA-N 448.950 4.604 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1637048203 XNLVGWDYVAGWQK-IBVKSMDESA-N 442.559 4.874 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nc(Br)ccc1Br 1638664721 ZUOMIGYLUTYRBF-UHFFFAOYSA-N 440.135 4.757 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 1640622470 BHAMPKISKFXFLU-QAQDUYKDSA-N 441.915 4.789 30 10 IJEE O=S(=O)(c1cc(F)ccc1N1CCc2cccc(C(F)(F)F)c2C1)C(F)(F)F 1643024319 BFLLRKSATZUDEL-UHFFFAOYSA-N 427.341 4.701 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nnc1-c1cccs1 1651856573 KWSGJNXHURWMOA-MRXNPFEDSA-N 434.949 4.883 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1657163762 UKAPDYOHBORPBX-QFIPXVFZSA-N 447.406 4.947 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C[S@](C)=O)c2)cc1OCC 1657518171 HHMYZIRFTTVEFG-SANMLTNESA-N 438.387 4.903 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 1660339379 AWVBDUOLGVLGHL-UHFFFAOYSA-N 427.975 4.652 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(Cl)c(Br)cc1F 1660945125 RKBOPPIWSYWMTN-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE CC(=O)N(c1ccccc1)c1nc(CNc2cnn(Cc3ccc(C#N)cc3)c2)cs1 1665497510 GHUOZFDWQUKCQI-UHFFFAOYSA-N 428.521 4.556 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c1 1667734437 UZNOSAPLEASLIB-HXUWFJFHSA-N 443.503 4.971 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)C(C)(C)C 1669171069 YJDGPZONOUZRSU-LJQANCHMSA-N 431.458 4.805 30 10 IJEE CCOc1cc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)ccc1OC 1669880807 GWPDZPWYFJICNH-UHFFFAOYSA-N 447.539 4.770 30 10 IJEE C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(-n2cccn2)c(F)c1 1673104084 GVJIMTNSFXKYJH-HNNXBMFYSA-N 446.511 4.813 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 1674046745 YBABCIVPVVGMGQ-UHFFFAOYSA-N 439.409 4.546 30 10 IJEE COC(=O)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1OC 1679014224 CHXMVGJFJIXXNU-UHFFFAOYSA-N 447.466 4.727 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1679812471 VDQMIIINPWJDIC-VEXUSMLFSA-N 440.609 4.922 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Br)cc1F)C(C)C 1681567829 JWIYHFWHQCULFC-BEFAXECRSA-N 426.374 4.647 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1682828011 NOUYTMQQFVEWFB-KBXCAEBGSA-N 425.932 4.536 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2C)CC1 1689833790 QJXICZPRPNCWML-MRXNPFEDSA-N 438.373 4.534 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1689881073 FDWOCHDGGCRGQI-FQEVSTJZSA-N 439.922 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)CCOC 1690195995 URDBHKLJOPLGRU-AREMUKBSSA-N 431.584 4.857 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1690323031 YAEVJTCGVNPGAA-OAQYLSRUSA-N 437.975 4.958 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1CC)c1ccccc1 1690442429 SGMGKTLWLYEKII-RTWAWAEBSA-N 430.556 4.664 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)CN1CCCCC1)C1CC1 1690547017 RVQGCRGMEAOGBQ-LJQANCHMSA-N 428.024 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCc1ccc(N(C)C)cc1 1690576153 OZBZBMJWXFREAN-UHFFFAOYSA-N 432.597 4.836 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)C(C)C 1690583415 JVIMAWFKZGUIJG-OLKYXYMISA-N 441.664 4.845 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2sc(C)nc2C)C1 1690690341 WTMXSWVCASCJGD-MRXNPFEDSA-N 447.967 4.641 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C)N1CCCCC1 1692922960 GGZYAKVXEMMLDW-LJQANCHMSA-N 432.572 4.619 30 10 IJEE Cc1cscc1Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1693332001 DRFZIOSKYRTGCD-UHFFFAOYSA-N 448.640 4.578 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1(C)C 1696192360 GRZUTGVDMFCNEI-YSIASYRMSA-N 443.542 4.892 30 10 IJEE COc1cccc(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)c1 1697534627 CRAOPJGYYOOSLH-KRWDZBQOSA-N 435.597 4.928 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705477144 JQBWGTLWFNBLAG-JBACZVJFSA-N 439.604 4.581 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705515065 RZTWDDAEKBHQHW-HXUWFJFHSA-N 434.613 4.909 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccc(C)o1 1705527094 QSZXPVFGLBDMIJ-UHFFFAOYSA-N 427.346 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@]1(C)OCCc2sccc21 1705713577 LSSQINFYWMVWSI-DEOSSOPVSA-N 438.597 4.906 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(F)(F)CC1 1705814002 ZYNXQHCOVABCPH-UHFFFAOYSA-N 441.320 4.918 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1706074659 BYFPNYNIQWAIDN-GMAHTHKFSA-N 434.632 4.834 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H]1C(C)C 1722454007 HCVZHKMESVYUIK-FQEVSTJZSA-N 442.629 4.732 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(CC(F)(F)F)CC1 1722461973 WKNBVBKTDQFNHT-UHFFFAOYSA-N 436.547 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1csc(Br)c1 1722493285 XTEJIWRFKHHIGR-DOTOQJQBSA-N 439.423 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OCC(F)(F)F 1722515020 GYPDZQTUSORSHT-LJQANCHMSA-N 438.494 4.912 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722611963 PJPZOBJVHBRHLW-QGZVFWFLSA-N 445.995 4.916 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1722613331 FFIWCMHTJHIMEW-GOSISDBHSA-N 438.601 4.638 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCc2cccc(Br)c2C1 1722613871 SVNDLEJJJAEXHK-UHFFFAOYSA-N 426.362 4.575 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@]2(CCOC2)C1 1722619562 GUKXYQUNINJBAG-XMMPIXPASA-N 445.007 4.835 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)CC(C)(C)C1 1726670825 HFKNTUXCPSVDKA-IBGZPJMESA-N 448.615 4.528 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)C1 1727304190 HJLDVBYRKXSOII-URXFXBBRSA-N 434.613 4.808 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCSC[C@@H]1C 1740568059 BEADTEHULTXUHD-IBGZPJMESA-N 436.581 4.862 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740576676 CTEFEVLBJCAQTG-PZJWPPBQSA-N 443.636 4.554 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740595252 PVGAMIFHZYLUMC-DHIUTWEWSA-N 436.600 4.530 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@H](C)C1 1740636056 PAKHALDFIBMZGC-LEWJYISDSA-N 428.536 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C(CC)CC)N(C)C 1740648453 KZTOLLZUIXSFNV-JOCHJYFZSA-N 443.998 4.567 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1ncc(C)s1 1740666350 MAALGBOYAJYYSQ-AWEZNQCLSA-N 444.402 4.736 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCC(CN(C)C(C)C)CC1)c1ccccc1 1740801726 BJPXWOGYNROWJR-UHFFFAOYSA-N 444.627 4.534 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1740837541 XWJCFJATHAEEJV-JOCHJYFZSA-N 437.613 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCSC[C@H]1C 1740846730 JRQVNVDSEBPVSU-QGZVFWFLSA-N 430.618 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1scnc1C 1740849658 RFTMYGHLOVOHMI-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740866798 NXSFFFYLOXTKMP-KAGYGMCKSA-N 440.636 4.800 30 10 IJEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740883950 KVPGFFJYFOHDKH-VWLOTQADSA-N 438.572 4.925 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1C 1740920235 JFZORVAOJBVBNZ-RXVVDRJESA-N 436.579 4.908 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1)C(C)C 1740926949 NPLQIVSDNSNAFM-YADHBBJMSA-N 445.696 4.817 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](F)c1ccc(Br)cc1 1740932048 FWGVJZSAYWMEDQ-IEBWSBKVSA-N 449.368 4.824 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccnc1 1740936765 IEQXREZDCINFAT-DHIUTWEWSA-N 449.599 4.663 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2csc(C)c2)C1 1740981452 PBFMPXNKPAFLRU-FQEVSTJZSA-N 428.989 4.722 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCCc1ccccc1 1749128017 QQRGIKQWGCAZAL-ISKFKSNPSA-N 431.584 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCN1CCCCC1 1749146843 OXHJJNPRFYNTJR-UHFFFAOYSA-N 446.437 4.986 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(OCC)cc2C1 1749174851 BVSAZJNZEIBPRL-UHFFFAOYSA-N 442.361 4.573 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)CC[C@H]2C)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1749384546 CVVLSOQVWGMKAS-YWDMUFDYSA-N 438.616 4.915 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC 1749550917 LIMMNQAZCHICOO-UHFFFAOYSA-N 427.574 4.696 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1749606191 ORUUERYAPXYGAP-LEWJYISDSA-N 441.595 4.836 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(C)(C)O 1751090416 CWQDAMWQADCLLC-HNNXBMFYSA-N 427.549 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCCN1CCCCC1 1760101733 VBIZUDKBODXXBX-QFIPXVFZSA-N 444.627 4.916 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCS1 1760123414 FONTZZGFGHLOFD-ZFWWWQNUSA-N 425.385 4.517 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSC(C)C 1760213078 OYKPCWNIISPJCR-SFHVURJKSA-N 426.655 4.736 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1760273611 AAXQOIMIBYAFPK-HOTGVXAUSA-N 433.419 4.556 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(OC)CCCC2)CC1 1760396374 BRBOZQMQGLRQIT-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C)CCC2)CC1 1760406239 XRJJJHOIZIWCGF-IBGZPJMESA-N 429.609 4.943 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1CCNc1ncc(Cl)cc1Cl 1760497863 VCWLHXKQHVSLFM-UHFFFAOYSA-N 431.371 4.636 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1760512411 GPIDQRPQGMXRAE-GOTSBHOMSA-N 437.632 4.751 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2nc(C(C)(C)C)cs2)C1 1760537912 TVIGUQSQQMHMON-QGZVFWFLSA-N 441.601 4.625 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)c(C)o1 1761649445 FOSLQPPJTBBRHS-VWLOTQADSA-N 433.556 4.561 30 10 IJEE CO[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 1769674086 FTLCJAGBMOUYET-XUZZJYLKSA-N 425.552 4.668 30 10 IJEE Cc1ccc2cc(C#N)c(SCC(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2c1 1858203130 PZAQJSLQBLJAMA-UHFFFAOYSA-N 436.968 4.509 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CC2)cc1 1862408117 DZEVRYOAVBWVTG-QHCPKHFHSA-N 434.536 4.591 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)c(O)c1 1862416285 FJCYVCRHIFIQRS-HXUWFJFHSA-N 431.435 4.535 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1862442261 CVLXHWQCNMMEDL-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862513229 ZZXZXEKZSIXWHL-LJQANCHMSA-N 447.890 4.880 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccc3ccccc23)cc1 1862518988 YMIKHXIUAXGWQE-OSPHWJPCSA-N 445.515 4.588 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)c1 1862564286 WPYHHPLAGXNQAH-HSZRJFAPSA-N 434.536 4.969 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680703 IFXOJUAUMIMGAC-BBATYDOGSA-N 432.835 4.764 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(F)c2)c1 1862702350 BTESSHRLIPADPB-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3cccnc23)=C(c2ccccc2F)C1=O 1862934028 IYMLKLREVIXWIK-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2cc(F)ccc2F)C1=O 1863079021 SIGNZNBFSRWYGZ-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cc(C)ccc3C)C2=O)cc1 1863331758 RWRXIWXFQHWEGF-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863362500 RJZRVFLIAMMBBM-UHFFFAOYSA-N 440.499 4.652 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(F)cc2F)C1=O 1863660896 FJISYMMHHNDQMJ-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)c(OC)cc32)nc(Cc2ccccc2)n1 1869082902 JTBGSJOXOCHEAF-UHFFFAOYSA-N 442.563 4.957 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)cc2F)n(-c2ccccc2Cl)n1 1870003519 CIQNXYYDJQXVEJ-UHFFFAOYSA-N 429.858 4.630 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCSC)n(-c2ccc(Cl)c(Cl)c2)n1 1870003950 OPXNBSRQVJMWSO-UHFFFAOYSA-N 440.400 4.834 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(C)cc1 1870350403 DXRKDWSWITZIAR-UHFFFAOYSA-N 439.559 4.830 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(C)c(C)c1 1870971995 FNHVQMZKPCIOKQ-UHFFFAOYSA-N 441.616 4.953 30 10 IJEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871374401 IVITVLHDTVVXJX-MTJSOVHGSA-N 433.391 4.807 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871403867 BUNXZKPQAAZUBD-GEWRUKCFSA-N 443.455 4.746 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(F)cc2)nc(Nc2ccc(C)c(C)c2)[nH]1 1871525253 RDSYEHMBJAXAQB-UHFFFAOYSA-N 432.547 4.626 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1872090383 NCMHFUDEIXZEPK-QFIPXVFZSA-N 440.590 4.867 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872133310 BNSFNJOWPMMLQS-IBGZPJMESA-N 441.380 4.978 30 10 IJEE O=c1c(Cl)c(N/N=C/c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)c(Cl)c1 1873528913 KDYJKBJECGLSAY-ODCIPOBUSA-N 438.658 4.547 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)cc1 1874306156 IUGMKOPCTZPDGS-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCN(CC)C(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(C)c1 1874356121 SWBHTLUCTFPXIP-WGOQTCKBSA-N 449.624 4.637 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCCCO)nnc2[C@@H](C)c2ccccc2)cc1 1874398613 CGNCYQVVQMDDJD-YSRPOPIVSA-N 438.597 4.966 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c(O)c1 1874416451 QBZKSPYZNFTGMG-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)OCCC)nnc2-c2ccco2)cc1 1874468999 IJBBUGVSYDYQAS-HZHRSRAPSA-N 442.541 4.645 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cc(C)ccc2O)cc1 1874482738 KPAZNKSWMPWFSF-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE COc1ccc(CCc2nnc(S)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1OC 1874568934 YKTGUBUFKRMQRN-SSDVNMTOSA-N 437.352 4.558 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)OCC(C)C 1874615031 CNNVOMSMHJBXKI-CSKARUKUSA-N 426.509 4.795 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2OC)c1 1875094952 RBDFEYJPDABJPW-PKNBQFBNSA-N 433.416 4.727 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cccc(OC)c3)cc2)cc1 1875129754 RNVBXXMLWCOPHJ-CXUHLZMHSA-N 432.472 4.974 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3cccc(Br)c3C)n[nH]2)c1C 1889716904 UPJRCHZGPZHJRM-UHFFFAOYSA-N 428.334 4.789 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 1947964544 XFBPYBWXVNXCDV-WAIKUNEKSA-N 431.533 4.728 30 10 IJEE O=C(N[C@H](CCCC1(CS)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951651870 LCFDUJCXJOPDDQ-OAQYLSRUSA-N 425.550 4.859 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983945438 XTUVORCUBYPQQB-FHWLQOOXSA-N 428.495 4.665 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)NCC 2012863561 SIILHYYRZJHBAO-FCHUYYIVSA-N 432.605 4.542 30 10 IJEE C#CC[C@H](C[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC)C1CC1 2020083860 XDQVWJXFKLQBCN-TZRRMPRUSA-N 428.617 4.904 30 10 IJEE CCOc1cc(C=CC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc(Br)c1O 2042452933 AUFNJOWYFLUZEF-UHFFFAOYSA-N 442.313 4.647 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2047971195 RBHFKAOKBBGDFT-DLBZAZTESA-N 429.786 4.540 30 10 IJEE CN(C)c1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)s1 2093102023 QOJFAZOZEZQXPZ-AWEZNQCLSA-N 437.363 4.978 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNc2cc(Br)cc(F)c2C#N)C1 2107450220 GNYIXXNJIDZTDL-ZDUSSCGKSA-N 426.330 4.909 30 10 IJEE C[C@H]1CCCN(c2ncc(Br)cc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174807910 IBJICIBYYBHPJU-YOEHRIQHSA-N 437.382 4.626 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc(CN=c2[nH]cc(Br)cc2C#N)cc1 2176857098 ZYIIMMJSQCHOJU-UHFFFAOYSA-N 431.334 4.511 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCOc1cc(Br)cnc1C#N)C1CCCCC1 2198810660 IODRNZUEXPNNOJ-MRXNPFEDSA-N 438.366 4.958 30 10 IJEE C=CCC[C@H](COc1ccc(N)c2cc(Br)cnc12)NC(=O)OC(C)(C)C 2198822815 RFXBHRPDNLDUOH-CQSZACIVSA-N 436.350 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(C#N)N(CC2CC2)C(=O)OC(C)(C)C)C1 2213336616 OMQSYCGNDZGETH-KHCICDEESA-N 433.593 4.953 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 2231059613 JBZUNQWONWQWGF-UHFFFAOYSA-N 448.344 4.871 30 10 IJEE CCN[C@@H](C#Cc1ccc(CC)cc1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2231151843 KHPFZWWJFQGAJB-SANMLTNESA-N 449.639 4.606 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C=CCCN1C(=O)OC(C)(C)C 2235727166 GADQGZHERXECLM-UXHICEINSA-N 433.390 4.734 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2235731691 QXNVDTKXNVZWCU-RTBURBONSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2249926311 GEDSAUUIBJAEOZ-RTWAWAEBSA-N 436.557 4.901 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2255609735 WAZOXFSICNKSMK-JSXRDJHFSA-N 427.394 4.701 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@H](N)C#Cc2cccc(Br)c2)CC1 2296267746 WSXQGDNWDRWNFY-BLIXFSHQSA-N 439.369 4.551 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H]1CCCN1C(=O)OC(C)(C)C 2296271149 CLJVILOECWACMJ-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C12CC(C)(CN1C(=O)OC(C)(C)C)C2 2296301105 QPWXOWZULAUZPV-XTWGIRIWSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@H](N)C#Cc2ccc(Br)cc2)C1 2296307717 XZGZFEPNBHDDJV-MISYRCLQSA-N 435.406 4.992 30 10 IJEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCC3(CC2)OCCO3)C4)cc1 2322214727 AXIHHRNBCUSNDW-UHFFFAOYSA-N 447.531 4.757 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccc(Br)cc2)cnn1-c1ccc(Cl)cc1 2322611742 AEYFWYTVTFJQRO-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323038943 UFPQCCUFVPSIDG-UHFFFAOYSA-N 440.710 4.953 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])Nc1nccs1 2323766951 WDLKTOHHOZYQTG-UHFFFAOYSA-N 443.868 4.618 30 10 IJEE Cc1ccc(C=C2Oc3c(CN4CCC(N5CCCCC5)CC4)c(O)cc(C)c3C2=O)o1 2324210312 NCMDRORDTRLYJS-UHFFFAOYSA-N 436.552 4.669 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1cccc(OC)c1OC)C2=O)C(=O)O 2324781937 LPLVFTWOWCMEAK-IBGZPJMESA-N 426.465 4.651 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cc(OC)cc(OC)c3)c2)c1 2325706315 KMBLXSIQXCUAAJ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325753010 WZGQQWULGFTNDE-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2326697561 GIWLFIXDBANHBD-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE Cc1cccc(OCc2nnc(SCCCO)n2N=Cc2ccc(C(C)C)cc2)c1C 2328862984 GCPBZDOLBRNQLA-UHFFFAOYSA-N 438.597 4.954 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(C)C)cc1 2329026225 ORDNPLJIJLBFRA-HXUWFJFHSA-N 425.602 4.676 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccncc2)cc1 2329251690 KIQOGPWESAUISL-UHFFFAOYSA-N 429.549 4.755 30 10 IJEE CCCNC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2330084354 PHBKORDQWXVVOC-INIZCTEOSA-N 441.988 4.584 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)c1 2330777197 LBOJYCXTPKXWMU-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)ccc1O 2331069748 ZAYPKPGBLXJZTH-UHFFFAOYSA-N 441.488 4.863 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(C)ccc1O 2331300469 IJVCFFLYHTXJTB-UHFFFAOYSA-N 432.549 4.809 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)c1 2331382822 LYSMMCJVLCLTAJ-UHFFFAOYSA-N 442.508 4.959 30 10 IJEE CC(C)CC(CC(C)C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2360478445 ADYOTPQPMFSLGU-UHFFFAOYSA-N 426.204 4.983 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccccc3OC(F)F)s2)cc1 14773112 YZIZUMSVOPVDND-MDZDMXLPSA-N 444.488 4.955 30 10 IJEE CCc1ccc(OCC(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1 40844629 PEIYDAALBTYCMS-UHFFFAOYSA-N 442.467 4.705 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccccc2Cl)nnc1-c1cccc(Cl)c1 59794731 HKJAZURVAKSHIE-UHFFFAOYSA-N 447.391 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1cccnc1)c1ccc2c(c1)CCO2 170008483 VDJZAHUOJOHUTF-RUZDIDTESA-N 448.478 4.953 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 170054853 PQZACILNOPIRKA-XMMPIXPASA-N 443.499 4.872 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170114944 HERNWSBLVFJLAV-IBGZPJMESA-N 426.538 4.680 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170191897 DXOSJEVVQDVAIO-OAQYLSRUSA-N 432.382 4.889 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccncc2)cc1C 170202440 WSCZJNLLYLLHGU-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccncc2)c1 170202804 KTHDKGZEBDEDPN-XMMPIXPASA-N 440.499 4.806 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)cc1C 170203136 BJBCLLHSRRJJAJ-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1C 170204198 HWYCXVHICXAAKE-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170208768 SHACWNNBYHRUPV-IBGZPJMESA-N 440.286 4.562 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265735 CGHJYRIEEPZLCL-UPVQGACJSA-N 449.547 4.794 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2sccc2C)c(C)c1 170316789 HRXPNUMKSZVIIR-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)nc2ccccc12 170536925 PGZNBMUJDCDGGR-OAHLLOKOSA-N 431.883 4.660 30 10 IJEE COc1cc(/C=C\C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)ccc1OCC#N 207248242 UVQKWDGEDOMSIA-POHAHGRESA-N 425.916 4.893 30 10 IJEE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)C1=NNc1c(C)cc(C)cc1C 254708160 YBWPMGXTTAKMJV-UHFFFAOYSA-N 448.508 4.834 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(OC)c(OC)cc1I 410349365 FKCTZBIWRJITKY-UHFFFAOYSA-N 437.277 4.679 30 10 IJEE C=CCN(C(=O)c1cc(C2CC2)nc2ccc(OC)cc12)c1nc(C(=O)OCC)cs1 507728497 VHGKGCQQDZBFFI-UHFFFAOYSA-N 437.521 4.587 30 10 IJEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2nc3cc(Cl)ccc3s2)CC1 508473352 OAWPJPHADRIIKF-UHFFFAOYSA-N 439.976 4.512 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508838828 AMEKZGMDWBTADE-NIYFSFCBSA-N 448.567 4.532 30 10 IJEE O=C(O)c1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 526825340 CRFVODOPCLCYGT-YSMPRRRNSA-N 446.507 4.881 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 549275213 YFYNGXPFQOHNHW-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 549656221 AVNNEEOVPFPUSQ-INIZCTEOSA-N 428.524 4.639 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 555255497 GWOWVKXUDZYIOJ-WZONZLPQSA-N 434.540 4.505 30 10 IJEE N#Cc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)c(F)c1 609299279 CLQNLASIJIPLBD-UHFFFAOYSA-N 429.282 4.609 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c(F)c1 609469799 MJXRWLOIBLJZJG-DEOSSOPVSA-N 442.494 4.996 30 10 IJEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)c1c(Br)cncc1Br 712367593 UFGGJTMGCHVKHW-CYBMUJFWSA-N 445.155 4.961 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=S 728286644 TWEKFTZUEQAROF-LJQANCHMSA-N 438.528 4.929 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(CC)c1 733202532 SHZIDFIEDUXSSY-HXUWFJFHSA-N 441.503 4.511 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)Nc1ccc(F)cc1)=C(/O)c1ccc(C#N)cc1 777512037 VVQHMSTVWXRYHS-UHFFFAOYSA-O 440.907 4.976 30 10 IJEE COC1CCN(c2ccc(NC(=O)NCC3CCC(C#N)CC3)cc2C(F)(F)F)CC1 799395794 BHJKSCLRCGSZPX-UHFFFAOYSA-N 438.494 4.772 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1ccc(C)o1 809896128 FGZIZPFVZLWLSE-MOPGFXCFSA-N 441.576 4.822 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1ccco1 812179560 VDPIPXMEIDVYLY-OALUTQOASA-N 441.576 4.903 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(F)cc1 1084591961 POSVUGJENUGTHQ-OAHLLOKOSA-N 426.300 4.723 30 10 IJEE COc1cccc([C@@H](CNC(=O)/C=C/c2cn(CCC#N)c3ccccc23)N2CCCC2)c1 1086846549 MJAOWSGNUWEGCP-WUZNFDRSSA-N 442.563 4.530 30 10 IJEE CC(C)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)cc1Cl 1125596174 CGWACTQULSAOOX-CQSZACIVSA-N 434.298 4.799 30 10 IJEE Cc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)nn1-c1ccccc1 1127561620 FKZXVAWNWPVACU-UHFFFAOYSA-N 433.943 4.951 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 1128810506 DZMJOOOYRFQBCE-QFIPXVFZSA-N 430.552 4.575 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCc2nc(CC)sc21 1137339107 HMXCEDIPMKAANZ-GJZGRUSLSA-N 427.998 4.577 30 10 IJEE C=CCn1c(Sc2ncnc3c2CCCC3)nnc1-c1ccc(Br)cc1 1162043183 SHHYUENZNZEIMA-UHFFFAOYSA-N 428.359 4.714 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCCNC(=O)OC(C)(C)C 1164611072 KMIFLPUMUNFXAQ-UHFFFAOYSA-N 438.981 4.703 30 10 IJEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)CCCCC1 1178765445 LBOZYJJJLJHZRW-UHFFFAOYSA-N 430.957 4.597 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1 1196485758 VMBPDCJHCMZHET-UHFFFAOYSA-N 431.540 4.948 30 10 IJEE Cn1cc(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c2ccc(F)cc21 1198033082 DGYWKZOIDLEKAJ-UHFFFAOYSA-N 429.455 4.741 30 10 IJEE O[C@](CNCc1ccc(F)c2cccnc12)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1204127556 GLEJYPOXLBJNHP-GOSISDBHSA-N 432.339 4.932 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Br)c(Br)c2)c1 1208442321 FGZVSQOGWFMYEK-UHFFFAOYSA-N 427.071 4.544 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc(F)cc1 1217614416 OGTZXLQPQAAGPH-HNNXBMFYSA-N 436.390 4.739 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1)c1ccc(C(F)(F)F)cc1 1224641323 JKHRXRAVBLIZQF-LVCYWYKZSA-N 439.478 4.633 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1230693156 COBNJXSORRTACP-NFBKMPQASA-N 445.485 4.551 30 10 IJEE N#Cc1cccc(NC(=O)CCSCc2nc(O)c3c(-c4ccco4)csc3n2)c1 1252215203 HQICFKDSDXHFBA-UHFFFAOYSA-N 436.518 4.791 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ncccc2F)CC1 1286695241 SATXLXAJCFQJPQ-NRFANRHFSA-N 434.563 4.647 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1C 1286700014 XBXYFIPZGLOGLT-OAQYLSRUSA-N 445.615 4.924 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 1286728557 BWENADHZOPEYFT-UHFFFAOYSA-N 435.572 4.717 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1Cc1ccc(F)cn1 1286749932 IPNGYBBKWSWIMX-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2CN(C)C(C)C)C1 1286809511 TZEOBFGAEMQUSX-DEOSSOPVSA-N 437.632 4.606 30 10 IJEE C[C@@H](CN1CCCC1)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N 1286959774 ALBYLUGLCNHPEI-OALUTQOASA-N 440.661 4.603 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C 1292325040 QWXPMZAILDTTFF-UHFFFAOYSA-N 449.352 4.952 30 10 IJEE C#CCN(C(=O)c1cnc(NCC)c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1293513337 DZOBXMJNYZKKET-KRWDZBQOSA-N 448.748 4.529 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1scnc1C 1300325227 WFQQVEBSXJVWOU-AWEZNQCLSA-N 432.018 4.689 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)CC1 1300361502 GUOAPIKDLLOJID-NRFANRHFSA-N 443.636 4.823 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1300473071 NVXSCPQUJZOBBM-OALUTQOASA-N 434.506 4.912 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1cccc(F)c1 1300516588 QFVKNZRTAQWANW-LJQANCHMSA-N 446.595 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)CN1CCCC1 1300788039 QFOVLJZRRMPZPV-HRRBBWQUSA-N 449.643 4.759 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C 1300873003 DXNSNGFXPGWOQF-GHTZIAJQSA-N 441.963 4.821 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCCCCC[C@H]21)c1ccccc1 1301164077 QCDFBAYFHHWKOG-DNVJHFABSA-N 435.616 4.935 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC[C@@H](O)C1 1301170545 ZHFGZJCJNJMZNW-MZKRTTBSSA-N 440.588 4.524 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](OC)C1 1301176942 MVWQONRPUYBCJX-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1301176977 NRMMFPFWMNSOPX-HXUWFJFHSA-N 429.996 4.840 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1301185253 ADHCZZFPOUJXRL-QHCPKHFHSA-N 431.584 4.843 30 10 IJEE C=CCCCCn1c(N2CCc3sccc3[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1301198079 AWYSJQGSQHXJSF-CVDCTZTESA-N 430.618 4.862 30 10 IJEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301258777 ACQFDXIQXLCOHD-KDURUIRLSA-N 443.542 4.601 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc(OC(F)(F)F)cc1 1303935046 HTXSOIUSHXFKSK-NRFANRHFSA-N 435.494 4.847 30 10 IJEE CCc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)s1 1305966190 AIVYLJJQQMAUHN-UHFFFAOYSA-N 439.560 4.798 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 1307444707 IMTQMMQZOPCMPH-CQSZACIVSA-N 429.467 4.690 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2cn(-c3cccc(Br)c3)nc2C)cc1 1308273152 SJOLXHSZPNKCGB-UHFFFAOYSA-N 440.345 4.863 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCCO[C@@H]1CC(C)C 1312562380 WENYUHQIFYLEQD-RBUKOAKNSA-N 427.358 4.880 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)cc1F 1312926085 LIASIYAMJYVDHN-TWILYEHCSA-N 436.955 4.845 30 10 IJEE COc1ccc(C(C)(C)Cn2c(C3CCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1315371741 GPQANFRHFNLITR-RUZDIDTESA-N 437.588 4.671 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)C1 1323756258 OINXFBWLGBTRMQ-MRXNPFEDSA-N 447.894 4.549 30 10 IJEE C=CCN(C(=O)c1ccc2c(c1)OC(F)(F)O2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1348500873 JVLBRVYLNGONEP-UHFFFAOYSA-N 445.403 4.873 30 10 IJEE C=C1CCC(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)CC1 1352131238 PBFOSJNSZQOLOP-NRFANRHFSA-N 442.556 4.928 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)Cc2coc3c(C)c(Cl)ccc23)ccc1OC 1353364226 BNEXDBFIPLMCDH-KRWDZBQOSA-N 426.900 4.943 30 10 IJEE Cc1ccccc1-c1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)s1 1354885546 ACZODFMYZUGJRB-HNNXBMFYSA-N 436.924 4.635 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(Br)c3nccn3c2)c1 1358371647 RSJPIGWCMNJTCS-UHFFFAOYSA-N 436.334 4.987 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC(Nc2ccccc2Cl)CC1 1359048964 FIBUTJOUUPPFEQ-KRWDZBQOSA-N 432.037 4.892 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1359073660 ZSECLKNISIZZFR-BBVWWWHTSA-N 436.600 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1359103954 VZWIPSVXTGEWAW-PYTYSOFPSA-N 438.616 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1359106693 NPZSGCHQAZGPCD-QFIPXVFZSA-N 425.621 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C1CCCCC1)N(C)C 1359115214 OSFDGZQWXHGWFR-OAQYLSRUSA-N 430.666 4.547 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C(C)C)C1 1359121911 OCLGVWPPYRZIAF-FQEVSTJZSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCCCC2)CC1 1359175273 GAJVHWIWZNWPMR-UHFFFAOYSA-N 439.560 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCC(=O)NC 1359184983 HIFWGKQKQMMBGF-UHFFFAOYSA-N 438.403 4.817 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)c1ccccc1 1359194655 ZJEHOQHTDWXELL-DHIUTWEWSA-N 433.604 4.811 30 10 IJEE C=CC[C@H](Cn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1C(C)(C)C)c1ccccc1 1359195428 MKWJEABUMNBVHE-QFQXNSOFSA-N 438.616 4.710 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1359196926 XXZTYCXWKOWDJZ-RTWAWAEBSA-N 445.652 4.538 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1359244599 JPXQSZLGFAFPCA-GCJKJVERSA-N 449.020 4.574 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(SC)c1 1359264241 ZCEVOHCZAHZCTH-IBGZPJMESA-N 441.626 4.939 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 1359273884 RVKHZLZARFPNNZ-UHFFFAOYSA-N 425.945 4.670 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1359283271 GIWMBBSBEHUEKV-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=CCC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccccc1 1435619929 HGILBTPYLINDAM-GGAORHGYSA-N 433.552 4.787 30 10 IJEE C=CCN(C(=O)c1coc(-c2ccccc2Cl)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1435900838 QFSUPQFNMRCLPA-NRFANRHFSA-N 438.911 4.798 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1437621952 MGCVDHCVQUXXCI-KNQAVFIVSA-N 427.566 4.936 30 10 IJEE C#CC[C@@H](COC)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1438158572 VUBAOKXSDPVULH-KRWDZBQOSA-N 439.353 4.685 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](C)CC(=O)c3cccc(Br)c3)cc21 1458028091 UTXDUOKZEFEBCB-CQSZACIVSA-N 426.314 4.832 30 10 IJEE C=CCn1c(Sc2cc(CCC(=O)OCC)nc(C)n2)nnc1-c1cccc(Cl)c1 1458269818 QYZVQDGTOGKSCZ-UHFFFAOYSA-N 443.960 4.530 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)CCCN1C(=O)OC(C)(C)C 1461597750 UAWNLXGVTJUTRN-LOSJGSFVSA-N 428.573 4.531 30 10 IJEE C#CCOCCC(=O)Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1Cc1ccccc1 1462329015 ACOHIHISZDGNFQ-UHFFFAOYSA-N 428.319 4.884 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cncc(Br)c1)c1ccc(C(F)(F)F)cc1 1463376666 HRNDIQTURBCMML-MRXNPFEDSA-N 449.292 4.849 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)c1 1465745396 GZDYUJSKVDNQSW-UHFFFAOYSA-N 434.517 4.922 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 1469353386 IXITZYSZVAGCKU-UHFFFAOYSA-N 427.463 4.854 30 10 IJEE COC(=O)c1ccc2c(c1)CCN(C(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)C2 1478416111 FFHUDCALVPSJPA-GOSISDBHSA-N 439.515 4.841 30 10 IJEE C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCc2cc(C#N)ccc2F)[C@@H]1C 1479325931 HACZNBADTSYTQC-DRSNIGMVSA-N 437.515 4.963 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1507516482 CEPNSIHZXPJQLA-SMIHKQSGSA-N 447.671 4.964 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1507559351 QYOHGGNAURTURK-IBGZPJMESA-N 437.588 4.832 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1507565484 FJRXIMSENWZYEG-HXUWFJFHSA-N 449.599 4.968 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1507593357 NFDSKLSHIUPXHS-NRFANRHFSA-N 445.007 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC(F)(F)F)cc1 1507767637 DWZATGQEBAHCSI-SIKLNZKXSA-N 448.489 4.653 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(F)cn2)CC1 1507895964 GASKLLVPAXWUJP-INIZCTEOSA-N 425.483 4.542 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1507902068 BFSMQTUPXDVYBS-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1507928455 FMUKPYZCDCIABY-GOSISDBHSA-N 435.576 4.977 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](COCC)C1 1507942754 UZONRKQDWKANLI-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507944348 PYFSCULPJQTLST-INIZCTEOSA-N 436.387 4.523 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@@H](COC)C1 1507960726 WHFBNPXTDOYSKP-QGZVFWFLSA-N 436.959 4.583 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1ncccc1N(C)C 1507997464 SKPSHFDADMFPFX-UHFFFAOYSA-N 448.615 4.577 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2CCOCC2)C1 1510285272 HXXDWZNGQFEJII-NRFANRHFSA-N 434.371 4.809 30 10 IJEE Cc1ccsc1CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@@H](C)C#N 1510445278 DMAIVQSOJYLZQD-AWEZNQCLSA-N 431.512 4.755 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccnc2Sc2ccc(C)cc2C)c1 1516761067 HVFWIMXGKZFCIL-UHFFFAOYSA-N 429.545 4.542 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnn1[C@@H](C)CC)c1ccc2c(c1)OCO2 1521284088 IREFEOKHCWJLTK-SFHVURJKSA-N 433.508 4.995 30 10 IJEE CCOC(=O)C(F)(F)[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CC1 1522904197 AMXKAADIKQVLLF-LJQANCHMSA-N 448.853 4.711 30 10 IJEE C#CCCOc1ccc(C(=O)N2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)cc1 1532141865 NQKWKIDLFNDGHO-OAQYLSRUSA-N 434.536 4.575 30 10 IJEE CCc1cc(C(=O)Nc2c(C)c(C#N)nn2-c2ccccc2)c2c(CC(C)(C)C)noc2n1 1534335320 HTTDPUYFIKCPBU-UHFFFAOYSA-N 442.523 4.992 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(Cl)c1 1537022193 BACGUORSKWUAMK-UHFFFAOYSA-N 430.957 4.527 30 10 IJEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)c1ccccc1-c1ccccc1C#N 1537269852 GGIMXYNQGJMIIQ-UHFFFAOYSA-N 447.457 4.754 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1539065727 JYEAFVYENLVPQM-UHFFFAOYSA-N 434.510 4.796 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(CC)s1 1539194691 FDUVZPQJJZACLQ-UHFFFAOYSA-N 435.380 4.906 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccccc2SC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1539316136 CONCLKQEVSPYHW-FQEVSTJZSA-N 442.503 4.708 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCCCC)CC1 1539429658 BXRHIMLQWRYXGB-HXUWFJFHSA-N 444.023 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCSC(F)(F)F 1539567013 RSIJRPGYJZUEOU-HXUWFJFHSA-N 438.519 4.719 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@@H](C)C1CCC1 1539587622 IDGWEUQGPPFYPQ-HNNXBMFYSA-N 447.377 4.640 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC1CC1 1539608608 AQRFKYBWFSXIRG-UHFFFAOYSA-N 427.799 4.979 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2c(CC)noc2C)CC1 1539828817 PKSDAESMBZZHLQ-QGZVFWFLSA-N 425.508 4.621 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(C)CC(F)(F)F)CC1 1539836303 PHUZZSVCVJYNES-UHFFFAOYSA-N 435.538 4.893 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc2c(c1)OCCCO2 1539945928 WJKIEWPFPNZYMQ-JOCHJYFZSA-N 440.588 4.912 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1539963131 LONMHTUEOMAVBO-QFIPXVFZSA-N 443.636 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1540142582 MORFLDUCINLREF-BGYRXZFFSA-N 443.661 4.689 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 1540781031 CBGPPOWPZFZLRF-UHFFFAOYSA-N 428.558 4.733 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 1543923817 BCWQTYDHKWNBDQ-KNQAVFIVSA-N 440.588 4.916 30 10 IJEE COc1cc(Cn2c([C@H]3CCCCO3)nnc2N(CCC#N)CCC(C)C)ccc1C 1554758176 AEUXZRXTAPYLGN-OAQYLSRUSA-N 425.577 4.651 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 1556214314 IVHCVTRBPPBABW-UHFFFAOYSA-N 430.483 4.952 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1562264817 JXSMGELIOORGNU-JOCHJYFZSA-N 447.514 4.616 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Cl)c(I)c1)c1ccc(F)cc1 1562975491 RNXFJYBCPJRUHF-HNNXBMFYSA-N 428.632 4.580 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)s1 1566426119 HHLRYYUYHZCHST-APWZRJJASA-N 440.009 4.539 30 10 IJEE C=C(CCC(=O)OC)C(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1566891292 JXJSIONTDQMVMW-LJQANCHMSA-N 439.405 4.590 30 10 IJEE CC(C)(C#N)c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)cc1 1570522571 DKFHGQIGZQSNBX-NRFANRHFSA-N 449.352 4.761 30 10 IJEE Cc1ccc(NC(=O)c2cccc(F)c2C#N)cc1S(=O)(=O)Nc1cccc(Cl)c1 1586856279 GEOUJDSMBIBBNU-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CC(=O)N2CCCCCC2)C(C)C)cc1 1587028778 DDMVKHHNKZVFTO-UHFFFAOYSA-N 433.552 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(F)(F)Br 1587677138 CVVBNRSMJYUOBG-NSHDSACASA-N 449.752 4.669 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1587818128 RILHYKTYJWIZDX-JOCHJYFZSA-N 434.540 4.873 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1587820903 XOSLFBVFJPFPEF-AVRWGWEMSA-N 438.572 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@@](C)(CC)O1 1588288727 JQCFXROBBCUIAU-IIBYNOLFSA-N 449.368 4.654 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCC(F)(F)C1 1588432697 HMTIWFXTTLBHEO-FQEVSTJZSA-N 430.543 4.747 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](OCC)C1 1589006241 CGLUKHXUPSDHQX-IBGZPJMESA-N 444.670 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1CCC(OC)CC1 1589172009 XMHVNQNHOBJCTQ-VWLBVBLESA-N 444.526 4.744 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N 1589505221 LRCMYHGECALFBW-DOXZYTNZSA-N 434.371 4.829 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCOC)CC(C)C 1589505791 OKRMOXNZOCWXOE-TZIWHRDSSA-N 432.996 4.689 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(Br)cc2C1 1593655276 WTKHRSYOVCIUBE-UHFFFAOYSA-N 444.402 4.535 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@H](OC)C1 1593718238 QQJBFFHLUNNKTD-DNVCBOLYSA-N 439.387 4.706 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1593914095 AOOVQZYXUXJLPD-DEOSSOPVSA-N 445.007 4.914 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)COc2ccccc2OC)CC1 1594236977 LDBJUZOHXVKFSO-XXBNENTESA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2ccco2)C1 1594573361 RRWONZJHNSCKMK-SFHVURJKSA-N 446.349 4.563 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1594615618 KTZLNXNDFNTKKP-SFTDATJTSA-N 432.515 4.732 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1594798052 NMQHJHPOWFDFRP-GOSISDBHSA-N 432.996 4.975 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1595314105 FXUDBDDCAOCFQP-LEWJYISDSA-N 437.588 4.507 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](OC(C)C)c2ccccc2OC)C1 1595674485 QHWZENXIHLZWKB-KNQAVFIVSA-N 442.604 4.532 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](F)C2)nnc1-c1ccc(Cl)cc1Cl 1611069143 BIQKMPHWFFLIQV-UONOGXRCSA-N 443.375 4.927 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 1627118936 WTRMSAYYPLKZDT-UHFFFAOYSA-N 426.398 4.675 30 10 IJEE C#CCN(C(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1627404315 RNVOGDXLTLKPMQ-IBGZPJMESA-N 430.548 4.708 30 10 IJEE C=C(C)COc1cccc(NC(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)c1 1627924325 HGNPLXOYNUXFRH-DEOSSOPVSA-N 430.504 4.847 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 1638814810 OXYYFJNJYIJVDE-INIZCTEOSA-N 449.732 4.659 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2n[nH]c3nc(C(F)(F)F)ccc23)s1 1640690443 QBGLJDRHUVMILQ-UHFFFAOYSA-N 447.895 4.767 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 1641617979 HNLFERGHDHAVQX-FCHUYYIVSA-N 433.552 4.621 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCc3c(Cl)cccc3Cl)n[nH]2)c1C 1644104019 WPJVFHFMSLAXLB-UHFFFAOYSA-N 432.355 4.745 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)cc2n1 1645276164 VQAKDYOAMWOEOX-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2cccc(C)c2C#N)c2ccccc2Cl)c(C)c1 1654317047 HJOYNDRRPPOCDC-QHCPKHFHSA-N 440.952 4.905 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br 1655995896 SVUSDVIASRZRAH-SMDDNHRTSA-N 437.197 4.625 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cc(Cl)c(C)cc2Br)cc1 1657966004 VIYRXRNDZFZGGU-UHFFFAOYSA-N 443.794 4.830 30 10 IJEE Cc1c(S(=O)(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)sc2cccc(F)c12 1661513822 HPKMCENXQOCKHR-UHFFFAOYSA-N 435.386 4.854 30 10 IJEE N#Cc1ccc(NC(=O)NCCc2ccccc2OC(F)(F)F)cc1Br 1661643999 DPMGYRVXBSVUFL-UHFFFAOYSA-N 428.208 4.584 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 1668489714 HHKBSCUYBIOEPH-YLJYHZDGSA-N 433.371 4.559 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1669147505 BWPMPRWTOOMAAZ-IBGZPJMESA-N 436.512 4.872 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccccc4)c3)cc21 1673307237 MPPAUIVGRSJDEB-UHFFFAOYSA-N 425.492 4.796 30 10 IJEE C#C[C@@H](NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 1674020314 HUWYAEAXQKFIDL-RTBURBONSA-N 433.733 4.560 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)c1ccc(Br)cc1 1674026269 WBSQWDNEQDBUOC-FUHWJXTLSA-N 433.733 4.640 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 1679822462 HSGGGGTWUAPZNX-MRXNPFEDSA-N 442.343 4.697 30 10 IJEE C=C(C)[C@H](NC(=O)N(C)C[C@H](O)c1ccccc1Br)c1ccc(F)c(F)c1 1680280275 LUGWYLHUMNJYKN-OALUTQOASA-N 439.300 4.720 30 10 IJEE C=CC(C)(C)CCCNC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1681741834 VSFADVBCYLYRFF-UHFFFAOYSA-N 425.495 4.602 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1684450290 VCHGJBCHHHBTRM-FKVLARQCSA-N 427.589 4.951 30 10 IJEE C=CCOc1ccc(CNC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc1 1686426956 AJLIZCSIQHFIOZ-UHFFFAOYSA-N 448.542 4.870 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(Cl)cc1F 1686922229 DEPORYYFFPVUOC-YJYMSZOUSA-N 448.325 4.599 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1689880948 ADTFONLQYMVOFB-UXHICEINSA-N 428.964 4.558 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1689904490 XFTHLZJGCKTOAA-JOCHJYFZSA-N 436.581 4.853 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1689912928 DHSZPXYMMSELJP-INIZCTEOSA-N 439.922 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCC1CCN(CC)CC1 1690193860 UHMSXINKXRDERJ-SHQCIBLASA-N 433.644 4.934 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)C[C@@H](C)C1 1690223096 DUENHIUSUWGTPW-CHWSQXEVSA-N 439.785 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1690237754 AHEVAXWTHBAUFF-QXOCSCLMSA-N 433.021 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)C(F)(F)F 1690259717 SZVPYLHYOJYORC-UHFFFAOYSA-N 426.483 4.953 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1690261559 QUACNIWSPRDVQD-UPVQGACJSA-N 446.643 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690422512 QUULFCAUEPDMJY-NRFANRHFSA-N 444.023 4.502 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@H](C)c1nccs1)c1ccccc1 1690444194 BYPTWBSWSYXLTM-AZUAARDMSA-N 445.596 4.791 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1OCCC1(C)C 1690568030 YISZMMOYSQXEQH-NRFANRHFSA-N 437.613 4.642 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1690590412 YMNBHWFHRXOJRS-DENIHFKCSA-N 436.629 4.607 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1690632794 QEAMFNCGINZUBW-KBPBESRZSA-N 425.396 4.595 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)Cc1cccs1 1690643632 LMIZDVMPTCFFBN-UHFFFAOYSA-N 431.606 4.667 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC=C(C(C)(C)C)CC1 1690746710 HUWYAUCOEIXLFY-NRFANRHFSA-N 440.613 4.892 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C(C)C 1695464472 GSJQCRQWIYWBRQ-JOCHJYFZSA-N 430.556 4.674 30 10 IJEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(Cc1cccs1)C(C)C 1697096135 BNURZQKQLLEZBR-UHFFFAOYSA-N 439.585 4.630 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1705519730 USCXYZXMQMHGAV-QHCPKHFHSA-N 433.644 4.915 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCC1 1705668078 DFQRMTJZBLEICE-FDDCHVKYSA-N 442.007 4.548 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@H](C)C1CCC1 1705683804 DSEJSQYXYCOBHT-CQSZACIVSA-N 434.338 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(CC)Cc1ccc2c(c1)OCO2 1705693352 FOWGKIQILCQQTA-JLMWRMLUSA-N 426.561 4.528 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1705783877 YUWFYSLTIQUXCA-UHFFFAOYSA-N 449.624 4.521 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC2(CC2)C1 1705827009 PTVPZURYXQLDOU-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1705831829 DXURUZHRHOBCHW-GHTZIAJQSA-N 430.980 4.872 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 1705851106 UZURQHOSLJLSHY-HRAATJIYSA-N 428.964 4.743 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(SC)CC1 1705857586 XQJAEUODIFYKEK-FQEVSTJZSA-N 428.602 4.617 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1Cc1noc2c1CCCC2 1705861176 WJBHXPKSGDRISU-UHFFFAOYSA-N 444.583 4.846 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1C1CCCCC1 1705874946 BAFHDTSKGJZONO-QFIPXVFZSA-N 425.646 4.906 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705888837 XQCUFMNUCJGJRU-OAHLLOKOSA-N 431.378 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)CCCS2)C1 1705921536 UNOTYNXLDXYXNQ-IERDGZPVSA-N 436.984 4.805 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCC(F)(F)F)cc1 1712879616 HFURIHIXZDPZSE-OAHLLOKOSA-N 431.384 4.938 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CCOCC)CCCC1 1722277421 MLRPJIIUTHNTQY-HXUWFJFHSA-N 446.599 4.780 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722338319 ICPDSRSYBBVRTJ-ZWKOTPCHSA-N 432.037 4.556 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCC1(F)F 1722397713 VESRAORUBDLPQA-LJQANCHMSA-N 430.930 4.811 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1C1CC1 1722407945 VCAMRLAZBCSYPY-FYYLOGMGSA-N 435.616 4.511 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)C1CC1 1722454073 IQAQJCXZSXBDDH-UHFFFAOYSA-N 439.810 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccco1 1722494756 NQNJAOLYKOYJKT-PXNSSMCTSA-N 444.482 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccsc1Br 1722514875 KJEAYHIDLCWULC-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722529707 ZWTSXTORQREITL-YLJYHZDGSA-N 448.995 4.525 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722532603 QXOIBRFNNRCKKD-UHFFFAOYSA-N 440.432 4.850 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1722592791 ZAKMFEUYGPTYGQ-HSZRJFAPSA-N 448.615 4.656 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(C)(C)C)C1)c1ccccc1 1722596522 KHKZWKXGKKCHHW-VXKWHMMOSA-N 435.616 4.633 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1722634341 CWUXGVGUWYMWRT-UHFFFAOYSA-N 428.540 4.594 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1722654077 PWEHVWMCRDLTHN-JPYJTQIMSA-N 442.579 4.992 30 10 IJEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccs1 1723723791 ADBHOOBQLBBFPE-HXUWFJFHSA-N 437.569 4.557 30 10 IJEE CC(C)N(CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC#N)C(C)C 1723771395 DLJSWKGYWXEXBT-KRWDZBQOSA-N 434.991 4.985 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)Cc1cccs1 1740532154 CNCPZXWZKCYQTC-SQNIBIBYSA-N 426.561 4.955 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@](C)(CC)C1 1740584726 JGDRNPKTYJTBTO-AREMUKBSSA-N 431.584 4.771 30 10 IJEE C=C(Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1740800017 DAKJYHKJLIGNHN-OZXSUGGESA-N 438.616 4.905 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1ccsc1 1740804840 GHJBBJGOKODQBL-SFHVURJKSA-N 449.001 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](OC)C1 1740845463 PJWZSQKAILWFHX-HXUWFJFHSA-N 442.604 4.958 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1740858934 BYNGKHQIQAJCNS-QGZVFWFLSA-N 447.509 4.697 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C)CC1 1740882911 CFRGAALOGFUYBT-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)[C@@H](C)CC)C1CC1 1740907758 YDJPLNMKTCQJLR-AOMKIAJQSA-N 447.421 4.968 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCCC1)C1CC1 1740912004 NLXHHNZBJQHGNO-JOCHJYFZSA-N 428.024 4.798 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740918938 XGMIHTRTKLOYIS-SFHVURJKSA-N 437.613 4.637 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CC1(CC)CCOCC1 1740920652 FCWCYVHYROPGHL-NRFANRHFSA-N 442.579 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1F 1740926019 UZKXHHWNICDWSG-UHFFFAOYSA-N 430.325 4.710 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21)C(C)C 1740926850 LUGHYJZQINAVPC-XIFQGDJWSA-N 425.665 4.800 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OC)CCC(C)CC1 1740932279 KVWSLVIYPWBMRI-WQNVSQMQSA-N 438.572 4.564 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCC2)c1 1748655117 RCQSANWYZGCIPG-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)CC 1748713989 GIXIZULVYXIIMT-WOJBJXKFSA-N 431.625 4.678 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC)[C@H](C)C1 1748731549 GFBSSKQXFIGJFO-WOJBJXKFSA-N 444.023 4.632 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](CC)C1 1748731668 IVSRCCSTHUHLOZ-NQIIRXRSSA-N 428.602 4.562 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@H]1CC 1748831565 PSYNILRGALCRAU-IAGOWNOFSA-N 443.364 4.746 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCOC1CCCCC1 1748868264 URKZLFHDXKVCLO-UHFFFAOYSA-N 444.623 4.950 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1Cc1ccc(CC)s1 1748944301 SJPQCVCZHDWQBE-UHFFFAOYSA-N 431.540 4.791 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C2CC2)C1 1749027568 ODVCBFCPDWWLQD-SFHVURJKSA-N 445.430 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)CCC 1749053186 CJSAHGGJYKYRLP-ZQMYSKGWSA-N 430.980 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1Cc1ccc(OC(C)(C)C)nc1 1749060964 GZIVYBMVPIPYRX-AREMUKBSSA-N 429.568 4.866 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2cccs2)CC1 1749119265 PLLPOXGLNIRWOO-KPLVRAHFSA-N 442.629 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1749123566 GABGGOSJMBQZDX-NNWRFLSQSA-N 442.629 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(C)C)C1 1749135255 DAMJIFZQJALNRE-RQTOMXEWSA-N 438.616 4.753 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC(F)(F)C1 1749175138 NFRQHPDQJNFIRX-UHFFFAOYSA-N 429.284 4.904 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC=C(C(F)(F)F)CC1 1749184466 YBANMCVTOQCZRD-UHFFFAOYSA-N 427.268 4.983 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749261250 NNPZFYMRCPGORV-BHDDXSALSA-N 445.007 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1749373477 MXLMUOYZQXZPCG-UHFFFAOYSA-N 439.007 4.685 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C)C1)c1ccccc1 1749384446 BPRRLBFAHXAIFB-MLDBQTBOSA-N 438.616 4.782 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@H](C)C1 1749452197 RBAFXHADUQBTDY-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1750059543 ARXHTOOKGRWMRG-RTBURBONSA-N 448.546 4.670 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1cccc2cccnc12 1750792025 HRSCLRSLKLVNLA-UHFFFAOYSA-N 425.540 4.703 30 10 IJEE Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCSC(C)C)C2)n1 1751829897 HBNKZQIKCMIILH-QFIPXVFZSA-N 449.628 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(NC(C)=O)cc1 1760103575 IGAFMQICPWNAKG-DLBZAZTESA-N 447.608 4.596 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCCCCO 1760212231 VNHPPVPWINQEAJ-UHFFFAOYSA-N 441.000 4.829 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1760294220 RARGMMQSHFUWAO-NHCICSSKSA-N 426.536 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(Br)c1 1760332558 GQADPRJCWJBDIX-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)N2CCCCC2)CC1 1760392494 RSDQQGGFGQMCPW-UHFFFAOYSA-N 444.023 4.931 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1760411880 FMYGJEZBVVXWJB-RTBURBONSA-N 444.624 4.591 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1ccc(F)cc1 1760454776 SGQYSQVWOYRAFC-AWEZNQCLSA-N 432.341 4.611 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](CC=C)c2ccccc2)C1 1760544745 GQVDBGFYLFLFSZ-DHIUTWEWSA-N 429.568 4.790 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1764433879 CZUMCGFHOUJHGY-GMAHTHKFSA-N 434.632 4.954 30 10 IJEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CCOC1CCCCCC1 1767159937 DXJWUAPTTAKWQO-UHFFFAOYSA-N 436.585 4.649 30 10 IJEE CN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(Br)cs1 1767298191 AZUSJWJEYNDYJR-UHFFFAOYSA-N 442.386 4.925 30 10 IJEE CO[C@@H](Cn1c(N2CCC(Oc3cccc(C#N)c3)CC2)nnc1C(C)(C)C)C(C)(C)C 1768141165 DUMGJCKGJCTJEK-NRFANRHFSA-N 439.604 4.556 30 10 IJEE CCCCCCC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 1858722729 RFFMHMQORXIOBI-UHFFFAOYSA-N 440.569 4.820 30 10 IJEE N#Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 1860860169 DJCXVZGJSLLVQT-QHCPKHFHSA-N 442.906 4.673 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861580583 KYBICLLPOYPIQN-XBVMLYLOSA-N 432.605 4.869 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862450531 JVRRKPSMZCFNPO-LJQANCHMSA-N 444.871 4.722 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1c(F)cc(F)cc1F 1862459958 GIJGHWQHNVZFBK-IBGZPJMESA-N 446.381 4.533 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2C)cc1 1862554574 GJGJGPHMOKMCOB-OSPHWJPCSA-N 442.515 4.925 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862558101 TWELJOXPGLJEGJ-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862594155 AOKLEDYQUGZNGL-QHCPKHFHSA-N 428.488 4.689 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2C)c1 1862625336 DIAKHAJJTZGFAJ-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862672380 BVKBZXMBIVVWGF-JOCHJYFZSA-N 425.500 4.782 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1862685351 VBAFOWMWLFIIGQ-QFIPXVFZSA-N 445.446 4.643 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(C)C)cc2)cc1 1862691693 SPGRIWKGHGOWRI-QHCPKHFHSA-N 437.536 4.560 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2Cl)c1 1862700698 MJSLFXQCKDVVHZ-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1F 1862702452 CJGQYNKEUMIHSM-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC(C)C)cc1 1862708367 SWFNGICIAQXMNB-QHCPKHFHSA-N 436.552 4.776 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)c(O)c1 1862728010 QZDHLHFIVOIZHZ-HSZRJFAPSA-N 429.472 4.666 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2F)C1=O 1862924713 RRZPTRFRJXXNCD-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 1862952599 LNMYWYUOVNIBCG-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2ccc(Cl)cc2)C1=O 1863054522 SAUGWYSEDZQRGD-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3F)C2=O)ccc1F 1863093848 JBSZMXLERKBEIQ-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1863620804 XBAFMDVPAPEMIL-UHFFFAOYSA-N 448.563 4.954 30 10 IJEE COc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1[N+](=O)[O-] 1870160311 LBPTWNPKFVKDKU-UHFFFAOYSA-N 448.483 4.555 30 10 IJEE CCCCCCCOc1cn(Cc2ccncc2)c(CSc2nccn2C)cc1=O 1870251320 CRFWCXBPEFWDGR-UHFFFAOYSA-N 426.586 4.667 30 10 IJEE CCCCCCCOc1cn(CCCN(CC)CC)c(CSc2nccn2C)cc1=O 1870251579 LRZGSAVQFKFPEU-UHFFFAOYSA-N 448.677 4.955 30 10 IJEE C[C@H]1C[C@H](C)CN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)C1 1870348732 KHSAIZSOOZZYAN-VXKWHMMOSA-N 441.575 4.825 30 10 IJEE C=CCOc1cn(CCCN(CC)CC)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870811435 ZLABWTZWOHGNSD-UHFFFAOYSA-N 437.506 4.776 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871195510 TZMUJOCTJKMVEZ-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1871251067 LQEBFCAJXODQRH-UHFFFAOYSA-N 444.535 4.670 30 10 IJEE CCOc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)cc1 1871251686 RDMBYLOCMDXROY-UHFFFAOYSA-N 431.536 4.966 30 10 IJEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCN(C)C)C4)c2ccccc21 1871346289 WZBZMJUTFOEYSJ-OYKKKHCWSA-N 445.563 4.689 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871405489 FCSWIOHPSUCGGQ-SGMWPGOQSA-N 445.471 4.726 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871433302 LLVWBVPHQISHLU-HYTQYMIGSA-N 430.884 4.612 30 10 IJEE CCCCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871553309 HOXPEXFXPVSKNB-UHFFFAOYSA-N 449.441 4.840 30 10 IJEE N#C[C@H](C(=O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2Cl)cs1 1872764511 OSWVCMFZCIBKLZ-QGZVFWFLSA-N 449.919 4.716 30 10 IJEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccccc3)n2)cc1C(C)C 1872779171 CYXYQQAPALFPNX-FQEVSTJZSA-N 447.560 4.857 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(Cl)c2Cl)=C(c2cc(F)c(F)cc2F)C1=O 1873239782 XDZNYQSAWIEZCP-UHFFFAOYSA-N 427.209 4.789 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2ccccc2)c1 1874336460 GDMIDMIQLYYARL-WMPMWDHYSA-N 447.608 4.794 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874362269 WMCJMDFLWJRIER-MFKUBSTISA-N 436.581 4.642 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(OC)c1OC 1874379795 MVVAMHDTXFESEB-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(OCCC)cc1 1874440978 CFOBWVKPMHDOQK-HZHRSRAPSA-N 432.590 4.583 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874486361 NQWNYQCTFPRJPT-SSDVNMTOSA-N 442.416 4.626 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(F)c2)c1 1874487846 SUPHWBMWWLLMGJ-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CCC1 1874492895 LBBOVDGMZVGOPF-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCCOc1c(/C=N/n2c(COC)nnc2SCc2ccccc2F)cccc1OC 1874501660 STRRGWOHNUJZML-ZMOGYAJESA-N 444.532 4.536 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1)NCc1ccco1 1874585512 XEUABYUDVLDGDN-QPJJXVBHSA-N 431.822 4.803 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Br)c1OCCCO 1874608481 QUPGQURWFFGPAG-BQYQJAHWSA-N 425.706 4.768 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)cc1 1874706524 MTVXDBGXMFRJAL-NTUHNPAUSA-N 448.471 4.593 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)CCCOc2ccc(OC)cc2)c1 1874722520 APHJLNTXPHYWND-UHFFFAOYSA-N 436.552 4.740 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)C(F)(F)F 1875128534 IOEVVDXZXNOQFF-BQYQJAHWSA-N 429.188 4.822 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](C)(O)C1CCC(NC(=O)OC(C)(C)C)CC1 1922076193 CQXZYKOTWGASRN-GLSWWRQESA-N 446.632 4.572 30 10 IJEE Cc1cc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1C#N 1951477107 RLILIQZFNCIQGD-RUZDIDTESA-N 440.499 4.791 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)c1cccc(OCCNC(=O)OC(C)(C)C)c1 2012028751 YJFNNFKQJJYFFM-QHCPKHFHSA-N 426.557 4.624 30 10 IJEE N#Cc1ccc(Cl)c(Nc2ncc(I)cc2Br)c1 2069528270 HTRFZXJXDPIXEZ-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE COC[C@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CCCCO1 2146067216 WWYQWJTXMZCNLA-PXNSSMCTSA-N 439.350 4.668 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151264767 BVURRIFOSKSLDO-LNWKWYTESA-N 446.444 4.613 30 10 IJEE CC1(C)C[C@@](Oc2cc(Br)ccc2C#N)(C(=O)O)[C@H]1OCc1ccccc1 2156353784 DMUGRDDFYWVYBH-RXVVDRJESA-N 430.298 4.538 30 10 IJEE CC1(C)C[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)N(C(=O)OC(C)(C)C)C1 2181108771 WUYJLUFAGJWNGK-OAHLLOKOSA-N 436.350 4.685 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181135687 RJYCMFZHKAVXPY-SUMWQHHRSA-N 436.350 4.685 30 10 IJEE CCC[C@@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCN1C(=O)OC(C)(C)C 2181138309 ZQRDTBAKATZEMZ-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1(C)CC1 2235720495 HKXVUBWHTUVEFR-OALUTQOASA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2235727161 JXQLIAAMDMRXSS-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2235732393 RTXSZPPBIYKLNZ-AFYVEPGGSA-N 433.390 4.696 30 10 IJEE CC1(C)OB(c2sccc2C(=O)N(CCC(F)(F)F)Cc2ccccc2)OC1(C)C 2247907545 DNFYNYUYKAMTGD-UHFFFAOYSA-N 439.308 4.642 30 10 IJEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2255531404 ZGUVSGKZWACWKX-SFHVURJKSA-N 425.378 4.964 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2255852953 KDCLTIPYBIDFOA-JLSDUUJJSA-N 430.354 4.693 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(OC)c1 2266734268 RFSIDXYKTQZXNA-SJLPKXTDSA-N 427.383 4.968 30 10 IJEE Cc1c(COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cccc1NC(=O)OC(C)(C)C 2268340398 BILQDGHMORRNST-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296268029 ZOHNWFCIUPAOGT-FRYIKTPZSA-N 433.390 4.567 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@]1(C)CCN1C(=O)OC(C)(C)C 2296279251 NCDDPOPPZQPYNL-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296297604 AQRPCLMWYLTDLR-AZUAARDMSA-N 435.406 4.816 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2296927120 RYHHPLZCCNJREB-NRFANRHFSA-N 432.407 4.669 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 2296933311 DYEIMIVIKOYDTP-FQEVSTJZSA-N 446.484 4.833 30 10 IJEE Cc1ccc(COc2cccc(C=C3SC(=Nc4nnc(C)s4)N(C)C3=O)c2)cc1 2314544228 WPCQGFWTIZWTPS-UHFFFAOYSA-N 436.562 4.968 30 10 IJEE CCOc1cc(C=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)ccc1O 2314547921 MZNVFWMVNSSQJL-UHFFFAOYSA-N 444.582 4.888 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(=O)OC)cc1 2321061657 WOVFSHGGUPJLIM-UHFFFAOYSA-N 432.908 4.594 30 10 IJEE Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2321861026 ZGPOZRYPKHKJDW-UHFFFAOYSA-N 431.282 4.704 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1N=Cc1c(OC)ccc2ccccc12 2322214401 BNDKTDBSMRLAOR-UHFFFAOYSA-N 446.532 4.755 30 10 IJEE CCOc1ccc(CCc2nnc(S)n2N=Cc2cccc3ccccc23)cc1OC 2322261896 MUMKLYFTDLHODA-UHFFFAOYSA-N 432.549 4.795 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2cc(Cl)cc(C)c2OC)cccc1OC 2322937544 USZAJANRNFKHEQ-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3)c2)c(OC)c1OC 2323342018 PUKNVUZNVPJVIE-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324233701 JICQUEUKRPFGSG-UHFFFAOYSA-N 445.427 4.642 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OCC(=O)OC 2324705693 AUOVNROTEKZICJ-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O 2325079504 JQMKWJZLQIFFPL-GOSISDBHSA-N 440.492 4.739 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(O)cc3)c2C)C1=O 2325549780 DQPCCQRFGZRXTK-UHFFFAOYSA-N 445.471 4.733 30 10 IJEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2325715602 QRUWJSTVONCSPA-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745455 YJZXMQYDTLXSJL-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326600099 FUGIPTTWEPXBQS-UHFFFAOYSA-N 439.541 4.939 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330008173 MNRFXMCNEHVWTL-UHFFFAOYSA-N 449.363 4.631 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccco1 2330481511 LHDYRRWODJVCBZ-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2[C@H]2CCCO2)cc1 2330950853 URYUSPREMWCADV-HXUWFJFHSA-N 449.580 4.668 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1ccc(OC)cc1 2331180267 PEZJWNLJAAAIEE-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCCC)nnc1SCC(=O)Nc1ccccc1 2331320624 MAQRWKHEHBKDKG-UHFFFAOYSA-N 449.580 4.799 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)[C@H]1CCCO1 2331571170 YGHFLHUNENULJV-OAQYLSRUSA-N 428.431 4.682 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc2c(c1)OCCO2 2331595159 UCVWISNTISJYPH-UHFFFAOYSA-N 446.532 4.523 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1c(F)cccc1Cl 2331638858 ZCAWAPJKVHRRBY-UHFFFAOYSA-N 445.951 4.945 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H](CN(c3c(Br)cccc3C#N)C1)C2 2359470245 CKXPHLCLGLYGLT-YCRPNKLZSA-N 434.378 4.842 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@@H](O)C#Cc3cccc(Br)c3)CCC[C@H]21 2360196351 OXYYVLBUNLIPNP-NMLBUPMWSA-N 434.374 4.587 30 10 IJEE C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccc(OC)cc3)cc21 3040740 ATVWTKGPFKKIPX-UHFFFAOYSA-N 430.529 4.923 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1cccc(OC)c1 10230250 UICCYNDUONVWSF-UHFFFAOYSA-N 448.470 4.889 30 10 IJEE C/N=c1\scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1cc(OC)c(O)c(OC)c1 12660876 PNAHUENJMAROED-CVFFEZMYSA-N 438.336 4.659 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1 21077924 UKRRXTZGACOTNF-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 33375419 MVZGHOSEGYWZDC-JOCHJYFZSA-N 428.419 4.745 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)C)cc1 40096862 PMBKHBSKQHBTMV-QHCPKHFHSA-N 435.520 4.960 30 10 IJEE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814674 YQEUHWAEIBPCNK-NHFJDJAPSA-N 432.480 4.887 30 10 IJEE CCOc1c(Cl)cc(CNC(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1OC 71978342 PMTBUVHJTQHBHI-MDZDMXLPSA-N 437.927 4.945 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(NC(C)=O)c(OC)c2)cc1OCC 97465964 HBZUDXYHJIAMAT-UHFFFAOYSA-N 449.345 4.992 30 10 IJEE COc1cc(/C=N\Nc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169900015 SZEWJPGTUMMILH-CFRMEGHHSA-N 431.452 4.813 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c1 169957657 HSVGQPGBLBURAE-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(O)cc2)cc1 169959431 DSWGPVLTOLMWQF-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)c1 170006248 DGQRXSHBMWKQPR-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)c(Cl)c2)ccc1F 170041518 VCXNNIULKKTSII-FQEVSTJZSA-N 441.842 4.865 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc3ccccc23)c1 170046465 RNZDZILEXPWMJS-DEOSSOPVSA-N 428.532 4.597 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 170064652 OGQMMAWDZWNGLI-XMMPIXPASA-N 446.522 4.899 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@@H]2c2ccco2)s1 170099040 YCQMCAJWYNQWSS-GOSISDBHSA-N 448.504 4.629 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1C1CCCCC1 170123902 CLEZBZPAQYKRGJ-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)c1 170132629 MHASFGIAODIQCP-HSZRJFAPSA-N 429.472 4.964 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)cc1 170172829 WRJNKJXZSBWIBN-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1C(C)C 170229855 IGOZKQAVPQEECW-NTKDMRAZSA-N 449.547 4.884 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccco2)cc1C 170279487 BGEZHDLNAXWVKN-HSZRJFAPSA-N 446.503 4.836 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170292947 NNCOGEIJCPIGCJ-GOSISDBHSA-N 429.259 4.760 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCOC(C)C)o1 170298706 YCTFFUQRSGDCMD-SFHVURJKSA-N 438.307 4.898 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc(Cl)ccc2c1=O 251724550 ZINUTVZVVFQNKR-MZZPOWALSA-N 446.016 4.657 30 10 IJEE CCOc1ccc(C(=O)N=C2c3ccccc3CN2c2ccc(C#N)cc2)cc1OCC 254318855 JVZNNDPSDPFUMN-UHFFFAOYSA-N 425.488 4.963 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(OC)ccc1Br)NCCC 407667235 JKICGZZMCSJFIQ-MOPGFXCFSA-N 441.410 4.838 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC 435186262 CGPOIQCGWWRPAS-UHFFFAOYSA-N 444.482 4.967 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCC2(C)C)c1 476544916 JWUSHZQEKGDDEV-UHFFFAOYSA-N 432.973 4.736 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1OC 526523655 ZBQBNORMZOOKNL-HSZRJFAPSA-N 426.472 4.941 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 549256072 GDZQCKJSWHERRI-HXUWFJFHSA-N 434.588 4.592 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 582599015 RHLXEZDDTOPPFE-IBGZPJMESA-N 431.588 4.739 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1F 586217051 BVOSGLZBBKHWAJ-UHFFFAOYSA-N 442.487 4.857 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nc2sccc2c1=O 613439807 FKMYLCAYECAKCA-QWHCGFSZSA-N 433.986 4.655 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 669815815 BIDACPPIXGWKJB-NHTMILBNSA-N 430.552 4.744 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1cc(Br)cc(Br)c1 698199217 RQOSXORAQNPWGC-AWEZNQCLSA-N 434.172 4.635 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 732146419 IMMKXIAINOOHQQ-FBMGVBCBSA-N 448.544 4.594 30 10 IJEE N#CCOc1ccc(Cl)cc1CSCc1nnnn1-c1ccc(C(F)(F)F)cc1 735318077 IMGPLAKDTXKVFX-UHFFFAOYSA-N 439.850 4.670 30 10 IJEE N#Cc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccc([N+](=O)[O-])cc12 742423344 HWBRSGIMBHDPFH-OAHLLOKOSA-N 439.422 4.697 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)ccc1Cl 745238475 GNAUZGSNYOYYDE-SJORKVTESA-N 432.854 4.520 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2nncs2)cc1)[C@@H]1C[C@H]1c1ccccc1Cl 751133492 AUZQQKQJUPOLQP-IRXDYDNUSA-N 447.973 4.584 30 10 IJEE CC(=O)N1CC[C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccccc21 757033532 DKKMQJORDTUMCS-OAQYLSRUSA-N 430.533 4.584 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(c2ccccc2C)CC1 800775673 QZDKSKXZJRLASG-UHFFFAOYSA-N 445.567 4.583 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 802551421 UJVRITSOVHPFLC-KXBFYZLASA-N 427.911 4.675 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 812752001 RETXUEWYLPUJEO-LJQANCHMSA-N 438.528 4.765 30 10 IJEE C=CCc1cc(CNC(=O)C/C=C\c2ccc(Br)cc2)cc(OC)c1OC 1125478409 ITGIOKMANXLABK-ALCCZGGFSA-N 430.342 4.915 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2Sc2nccn2C)c(OC)c1 1125546852 GIEQKOPPYIRSFM-UHFFFAOYSA-N 443.956 4.979 30 10 IJEE C#CCN(C(=O)c1ccc(F)c2occc12)[C@H]1CCOc2ccc(Br)cc21 1126151119 LJZPGZUTCZIGHR-SFHVURJKSA-N 428.257 4.934 30 10 IJEE CC(C)(CNC(=O)c1ccc(Br)cc1C#N)c1ccccc1Br 1127357222 DHELPDCOYKIZTH-UHFFFAOYSA-N 436.147 4.791 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1 1127932321 KNYODNPMGVLOAS-QFIPXVFZSA-N 438.568 4.501 30 10 IJEE C=CC[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)CCCC)c1ccc(Cl)c(Cl)c1 1128330703 QBPKAAOJRAMZFO-ZWKOTPCHSA-N 434.385 4.748 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)c1cccc(S(=O)(=O)C(F)F)c1 1128977890 BDANBUOSBKAHKR-UHFFFAOYSA-N 443.427 4.704 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 1129016013 OBVRZOVOEUPSOT-UHFFFAOYSA-N 438.531 4.930 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCC2CCCCC2)CC1 1136782021 GNAPDESZUMBALT-IBGZPJMESA-N 429.001 4.610 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(COc2ccccc2)cc1 1141695401 XEAXZABLPJBBRX-NRFANRHFSA-N 444.959 4.918 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1-c1cccc(Cl)c1 1144141487 AJYHEYMKGROVPM-OAHLLOKOSA-N 425.316 4.500 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)n1nnnc1C(C)(C)C)c1ccc(C)c(C)c1 1144711087 GKGBBOXVXBJUGE-HXUWFJFHSA-N 447.583 4.947 30 10 IJEE C#C[C@@H](C)N(C)C(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1156192009 VNMNDZKVEWRXLD-NHCUHLMSSA-N 444.575 4.908 30 10 IJEE C#CCN(C(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1156363947 DPHVBYIYNHIDEK-VWLOTQADSA-N 432.564 4.906 30 10 IJEE CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 1162113382 FOFMEPFQKOUEFM-QFIPXVFZSA-N 431.565 4.548 30 10 IJEE C=C(C)[C@H](N[C@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC)c1ccc(F)c(F)c1 1169473376 OTWWAMKNUGTUOX-YJYMSZOUSA-N 436.524 4.999 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 1188621208 VPCUDXAEAHSEAA-LJQANCHMSA-N 442.947 4.745 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnn(Cc3ccncc3)c2)cc1OCC 1200056484 GEMZQTQMJHXFIJ-UHFFFAOYSA-N 443.345 4.665 30 10 IJEE COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(C)c1 1208671540 GCMTYGFFGBOFNT-HXUWFJFHSA-N 434.561 4.697 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc2ccc(C)nc12 1209054324 WSEGBGVMLPHNKK-UHFFFAOYSA-N 449.345 4.822 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O)c1ccccc1 1211118625 RFRINYSDLGWTLM-JOCHJYFZSA-N 426.582 4.707 30 10 IJEE CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 1214911622 CKEQUQCLCIOUBM-FQEVSTJZSA-N 442.560 4.600 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1219084491 NXHJDSVFFNGKJD-VQIMIIECSA-N 444.373 4.798 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)c1ccc(Br)cc1 1230499273 TVPOITHTKIGCKQ-SFTDATJTSA-N 445.332 4.653 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 1252449221 OGNPWAXWCZCRTR-GOTSBHOMSA-N 431.923 4.564 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@@H]21)c1ccc(Cl)cc1F 1252478873 GQDRFNOJDBWMCH-GRGSLBFTSA-N 433.708 4.553 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1F 1252480693 ZXDMHEIFCNROTI-HUUCEWRRSA-N 426.801 4.509 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(OCc3cccnc3)c2)CCCN1C(=O)OC(C)(C)C 1264638414 ZVPPJOUNMFBYGY-VWLOTQADSA-N 437.540 4.945 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(N(C)C)nc2ccccc12 1265461238 QVVFHRPYKUDTND-UHFFFAOYSA-N 429.442 4.814 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1286318636 XHTZXPVHPJIUCT-IBGZPJMESA-N 440.588 4.548 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1286334058 GQCVRLBBXHZPTE-QHCPKHFHSA-N 436.600 4.530 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1286556390 CKPMDQCRRLATDN-HNAYVOBHSA-N 426.458 4.616 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 1286625041 SMPZHBJBTAKSND-GFCCVEGCSA-N 431.712 4.942 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCS2)CC1 1286655378 PRGHCUOAJWRCCP-INIZCTEOSA-N 436.423 4.724 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)c2ncc(C)s2)CC1 1286662733 WPAHGWJIGZDAMM-AWEZNQCLSA-N 428.631 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1286668825 WAKYOSSIXADGBJ-SFHVURJKSA-N 425.621 4.663 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286688719 YUYHAESWZJCBBH-CTNGQTDRSA-N 429.634 4.821 30 10 IJEE C=CCCCCn1c(N2CCC(CC#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286691734 PKMSBFXGPGDOFF-BGYRXZFFSA-N 442.608 4.535 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1286709339 QNZFMFIGXZGDCL-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1286713195 CTERVLSNLUWJPQ-UGKGYDQZSA-N 441.620 4.559 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC)CCCC1 1286721959 ACPUPWZSIPZJBI-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccncc1Cl 1286749301 OVFCPAITNKASAN-LJQANCHMSA-N 429.977 4.871 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccs1 1286766209 NQYCJHYLVIXNJI-INIZCTEOSA-N 428.627 4.880 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC)c1 1286827163 FTJMLQKKNZDCTQ-UHFFFAOYSA-N 429.977 4.558 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1cccc(O)c1)c1ccc2c(c1)OCCO2 1293125194 GXKWGSZKVPSRRL-JLHYYAGUSA-N 443.499 4.975 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 1294074513 XEVUJZQHOLFYFF-UHFFFAOYSA-N 448.475 4.539 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCC1(F)F 1298285355 GICRBJXMNIPQSX-OAQYLSRUSA-N 436.510 4.597 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(SCC)c1 1300628793 AOJLJKNLRJPJDS-UHFFFAOYSA-N 425.989 4.537 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CCSC 1300852605 AWSPODIWRTZJSN-OAHLLOKOSA-N 448.434 4.837 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1300989874 RVIYWMZXTQCFBZ-NRFANRHFSA-N 448.970 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(OCCOC)CC1 1301144192 YLAZSJUDAQEHHJ-UHFFFAOYSA-N 438.572 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccccc2C)CC1 1301145868 KBXSXFDLAJOBLP-UHFFFAOYSA-N 432.616 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1301160662 UJCMYXRJWRRVSB-OALUTQOASA-N 441.645 4.888 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@H](C)N1CCCCC1 1301272351 GFHFSCQTXAXTCV-RBBKRZOGSA-N 425.621 4.922 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)N1CCCCC1 1301390608 LIZLVQDKEDLHCO-IRLDBZIGSA-N 425.577 4.518 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@H](OCCC)CC3)nnc2C(C)(C)C)cc1 1301530275 RJRYNPNNGWFXHG-NRFANRHFSA-N 426.605 4.974 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2nc(C)c(C)s2)C1 1301538957 MRBSGJPYUPVHME-RTWAWAEBSA-N 437.613 4.723 30 10 IJEE C=CCn1c(Sc2ccc(Br)cc2[N+](=O)[O-])nnc1-c1cccc(OC)c1 1306995979 WDVNLILBCMFIKF-UHFFFAOYSA-N 447.314 4.962 30 10 IJEE C#C[C@@H](NCc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1)c1ccc(F)cc1 1308785199 BPWZHGPQVWTLAV-OAQYLSRUSA-N 437.467 4.647 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1310202904 YCVJTRJGWRVNPN-MJGOQNOKSA-N 433.430 4.731 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c1 1310257997 VIMLYXVCMROBCD-UHFFFAOYSA-N 429.948 4.523 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1 1310901331 VXGJWUBHYZBUQB-UHFFFAOYSA-N 437.540 4.692 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cnn(-c3ccc(C)cc3)c2C)ccc1OC 1310956220 BRUXJKWHCSJYFN-HXUWFJFHSA-N 433.512 4.500 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)[C@@H]1CCCc2ccccc21 1311783442 IMHAOYWBWJYBJK-NIYFSFCBSA-N 449.570 4.570 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](COc2c(C)cccc2C)c2ccccc2)cc1 1312238380 JYWWXLRMAJNYPT-RUZDIDTESA-N 428.532 4.935 30 10 IJEE COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(C#N)C1 1315956676 GKIWUVDAOMDICD-HSZRJFAPSA-N 445.995 4.800 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCc2ccccc2)C1 1344718574 QOTDILRGTXGKOE-QFIPXVFZSA-N 425.536 4.517 30 10 IJEE COc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(OC)cc1NC(=O)c1ccccc1 1351944913 DZOPHDQXDZPCLQ-VQTJNVASSA-N 441.487 4.570 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)CCc3ccc(OC(F)(F)F)cc3)n2)c(Cl)c1 1357458091 DXSGGXBEIDHUCE-UHFFFAOYSA-N 434.805 4.867 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1C1CCCCC1 1358898143 NCSQCPJNGBALSU-ZJSXRUAMSA-N 449.643 4.675 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1C[C@@H](C)O[C@H](C)C1 1359005080 VDAROYKPBBEFCD-HUUCEWRRSA-N 449.368 4.510 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1csc(C)c1 1359026828 LRQNSLDJGBRUNB-UHFFFAOYSA-N 447.029 4.728 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1CCC(C)CC1 1359051570 BKWPLGNPMCBPRG-UHFFFAOYSA-N 433.021 4.988 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1359052480 GTHXTSIBEDEJOH-GOSISDBHSA-N 442.629 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1359161202 UHJOGLNYOCGCSV-FUHWJXTLSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1359179977 MZJWPVOSACGQHO-ZJSXRUAMSA-N 426.580 4.862 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N)c1ccccc1 1359195027 FQPRKOGVEXWKPU-IRLDBZIGSA-N 439.567 4.615 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1359202323 PXALDZKGHKJYKM-UHFFFAOYSA-N 430.984 4.783 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(CC(F)(F)F)CC1 1359210464 UEBSCCQJCHRKCB-UHFFFAOYSA-N 433.478 4.732 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCN1CC 1359232819 GIYBIMFVCZXSOI-HSZRJFAPSA-N 432.616 4.849 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCN(C(C)C)C1 1359234505 QZZMPUFYTLODJI-SFHVURJKSA-N 446.437 4.759 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCC(C)CC2)c(C)o1 1360998387 ALHSSTMYZGLHOH-OMUJPZFUSA-N 447.583 4.949 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C)c1ccc(Cl)cc1F 1436653745 WQPFKVSKWPUNKV-FQEVSTJZSA-N 425.891 4.804 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(Br)cc1 1450274247 QIUBOSKSOGNSPV-WIYYLYMNSA-N 440.385 4.746 30 10 IJEE C=CCCN(C)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 1457740573 ANNJAVGFHJWPBS-UHFFFAOYSA-N 427.353 4.751 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1C 1459605392 DBSGTOCDKGJEDE-GGAORHGYSA-N 439.625 4.980 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC2(c3ccccc3Cl)CC2)nnc1-c1ccco1 1461112986 JYWDVTJITZOOLD-UHFFFAOYSA-N 428.945 4.665 30 10 IJEE C#CC[C@@H](COC)NC(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1466933985 LEDDGYMCUQNDGC-KRWDZBQOSA-N 433.371 4.901 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN1CCCC[C@@H]1C 1469630713 MATBNTKJGZDPGS-UQBPGWFLSA-N 447.579 4.766 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1F 1470666321 LUXSOQOFSZLLIM-NMNFXAFOSA-N 439.962 4.753 30 10 IJEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1c(C)cc(C)cc1C 1474974569 TWVJVKIHTAAAOP-IBGZPJMESA-N 448.382 4.522 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cc(N3CCOCC3)ccc2Br)CCCC1(C)C 1476603705 BEVLIEGYSCLHTG-LJQANCHMSA-N 436.394 4.884 30 10 IJEE CCOC(=O)c1c(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c(C#N)cn1CC 1476760308 DBNVPAXPVGTVDB-PWRODBHTSA-N 434.540 4.746 30 10 IJEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507673180 OIGUDDHHQRSQAN-WOJBJXKFSA-N 444.501 4.656 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1C[C@H](C)O[C@@H](C)C1 1507700347 QUUUPJABTVGZJZ-OALUTQOASA-N 436.531 4.829 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1507756609 WUEXYILSHAGZAS-XXBNENTESA-N 438.641 4.973 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Cl)=C(Cl)C1 1507856484 HVKFJXJWGDUWTN-UHFFFAOYSA-N 437.556 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1507911201 DIFKHFCJXMHOQX-LJQANCHMSA-N 436.560 4.632 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507914157 FTMJRQUIXKDLDR-KDURUIRLSA-N 448.615 4.760 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1507930255 UVDYGXOVSGKDCF-ZEQKJWHPSA-N 448.615 4.505 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1507944832 ZXNZDZIAHMXADV-UHFFFAOYSA-N 444.917 4.565 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCNc1ccccn1 1507972178 VNPPBODYPZZLBA-UHFFFAOYSA-N 445.596 4.896 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(F)(F)Br 1507973928 PSUTWQGHTAZLHX-UHFFFAOYSA-N 426.092 4.862 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C 1508014969 ZDUISZQECMVAPF-KCZVDYSFSA-N 431.694 4.965 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC=C)Cc1cccs1 1508075765 APTHJMQUTYDSRA-UHFFFAOYSA-N 449.624 4.799 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](OCCC)CC2)cc1 1508101303 XBOSSXIHVKQSMZ-QFIPXVFZSA-N 447.583 4.739 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)CC1 1512268129 HTJZDCUQFPRPLI-IBGZPJMESA-N 441.023 4.849 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1 1520329225 AOKYVOJZVQHFPJ-XLIONFOSSA-N 445.658 4.592 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)c2)cc1 1520810572 FVQNCJSVULJOBO-JOCHJYFZSA-N 449.869 4.678 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(CC)ccn1)c1ccc2c(c1)OCCO2 1524358389 PNWJABFTMIWVDY-UHFFFAOYSA-N 430.504 4.827 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccc3)cc2C1=O 1527979280 ASNFEXMYFPDMHV-HSZRJFAPSA-N 444.918 4.836 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC=C)c3ccccc3)c2)C1 1529816084 WHYMHGTYYGJLFC-SFHVURJKSA-N 444.984 4.760 30 10 IJEE COc1cc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c(F)cc1C#N 1530181166 CARCQYHXSNEHIV-UHFFFAOYSA-N 433.270 4.818 30 10 IJEE CCC1(c2ccc(Cl)cc2)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1531691530 GJPBRUXAMFCGAK-IBGZPJMESA-N 435.955 4.535 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1539053459 SJNVCQHHBVRJOC-YLJYHZDGSA-N 445.405 4.936 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CCCO)CC1 1539622368 WSHDXBYDJHTAPR-RBBKRZOGSA-N 445.007 4.569 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCCC[C@@H](SC)C1 1539647103 VGXKUKRXSMVGNG-ZVDOUQERSA-N 432.659 4.634 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1539691392 YGOMXPPYJYRQQW-IBGZPJMESA-N 445.405 4.845 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1539779532 AIURLXZRDXHERJ-YOEHRIQHSA-N 434.968 4.738 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](OC)C2CC2)CC1 1539898516 UURRCLDURRWTJY-QHCPKHFHSA-N 438.616 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539909905 AXSSCDHKZKRQLQ-GOSISDBHSA-N 444.023 4.894 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)OC)CC1 1540014016 YMRCCSUQYHIADB-UHFFFAOYSA-N 440.588 4.510 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1Cc1oc(CCC)nc1C 1540120728 GKHKJTIUBACABE-UHFFFAOYSA-N 441.539 4.635 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCCC1CCOCC1 1540133917 LYBASSHKPKHLEV-UHFFFAOYSA-N 435.547 4.879 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 1540663579 FIJSGFCJRFZWDW-UHFFFAOYSA-N 426.582 4.912 30 10 IJEE C=CC[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1 1540688224 QMXIYUSSBDPUNA-NGYXKBBWSA-N 440.952 4.852 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H](C)CCSCC 1540854738 AWEDROJGOPSWCR-CQSZACIVSA-N 439.423 4.870 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540909468 IFYNWFKVAMBFAB-FCHUYYIVSA-N 436.629 4.814 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2ccccc2[C@@H]1C 1540919339 NYOHQKNNYMDSQC-INIZCTEOSA-N 425.627 4.677 30 10 IJEE C#CCN(CC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C(=O)OC(C)(C)C 1542240743 SCJTULDWLRYROK-NRFANRHFSA-N 426.944 4.610 30 10 IJEE C=CCn1c(SCC(=O)NC[C@]2(C)CC2(Cl)Cl)nnc1-c1ccc(Cl)cc1 1543656743 CPZQHAQRTBALLP-KRWDZBQOSA-N 445.803 4.577 30 10 IJEE CCc1nc(CCn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@@H](C)CC#N)cs1 1546367439 FRVHTHHKHLPCRQ-KRWDZBQOSA-N 445.596 4.802 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2C)nnc1-c1cccc(Cl)c1 1559391246 URSXXIVTIFNTCU-MRXNPFEDSA-N 426.973 4.890 30 10 IJEE C=CCC1(NC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CCOCC1 1562367519 RGSOWOGOFJAZAI-UHFFFAOYSA-N 449.338 4.888 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1N1CCCCC1)c1ccc(Br)cc1 1564465585 CZDPXRMWFLJZQL-HXUWFJFHSA-N 426.358 4.613 30 10 IJEE C=CCOCCCNC(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 1565082280 AULNRUBBTRMWHH-UHFFFAOYSA-N 439.625 4.879 30 10 IJEE C=CC[C@@H](CO)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1567044865 SYFDJBSANORIJM-GCFJHJGGSA-N 428.532 4.645 30 10 IJEE N#C[C@H]1CCC[C@@H](OC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1583559156 GCYLOCRQHZJCKU-WCQYABFASA-N 425.325 4.808 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1 1586027315 JZLKCSLMLQJSHM-JGCGQSQUSA-N 445.544 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1C1CCCCC1 1587574675 KAJXCBMSAZWPQN-PGRDOPGGSA-N 426.008 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CC1CCC(C(F)(F)F)CC1 1587674416 ZZINXZMZTSRGNO-GTPINHCMSA-N 438.469 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCCC[C@@H]1C 1588276500 NTDARHJBKZMBKV-NRFANRHFSA-N 430.600 4.526 30 10 IJEE C=C(Br)Cn1c(N2CCSC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1589460239 MWYQZYXDNWOODT-UHFFFAOYSA-N 447.446 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1589567552 FBCMFEWJOUGNCV-GFMPLVLUSA-N 438.616 4.937 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1593740966 HOZSJPIAISDDSN-UHFFFAOYSA-N 445.007 4.670 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)N2CCCCC2)CC1 1594134079 KRVQPAUUIWXGCO-NHCUHLMSSA-N 429.653 4.618 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN(CC)C(C)C)CC1 1594431056 UHFLHPNXKCBGPQ-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1594617430 ZLVWQSOVQCCJTQ-ICSRJNTNSA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1594913689 MNQNFTFPGARART-QFBILLFUSA-N 445.995 4.866 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1595460875 GWNMANPAXLMVNP-SLMMIHQXSA-N 430.637 4.947 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC(CN2CCCCCC2)CC1 1595658792 KCSDUIDLOPIJSH-UHFFFAOYSA-N 437.632 4.546 30 10 IJEE C#CCN(C(=O)Cc1coc2ccc3ccccc3c12)C1CCN(C(=O)OC(C)(C)C)CC1 1596142072 NOPBAEYNWSIHOQ-UHFFFAOYSA-N 446.547 4.990 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccc(F)cc1 1596936331 HWGLQHMNWVJTDG-SANMLTNESA-N 443.518 4.944 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 1622898289 HDDQZEMAVNXIOL-HXUWFJFHSA-N 437.927 4.804 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc4c(C)ccc(Cl)c4s3)n[nH]2)c1C 1623666193 GMLLTAXIKDBFHP-UHFFFAOYSA-N 426.933 4.900 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)C#N 1624962721 GMXPHPLYLRXXMB-QHCPKHFHSA-N 431.536 4.526 30 10 IJEE Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)C 1625370247 FRMUINJZADHXIE-IBVKSMDESA-N 427.548 4.867 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1)C(C)(C)C 1625487844 JYTUXSPTZZWZIB-QFIPXVFZSA-N 440.609 4.807 30 10 IJEE C=C(C)c1cccc(NC(=O)NCc2c(Br)cncc2Br)c1 1628033657 GTSLYGQBYSMMFX-UHFFFAOYSA-N 425.124 4.961 30 10 IJEE COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 1630881301 GANCCAJIVJTMFH-AREMUKBSSA-N 441.531 4.926 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3cccc(Cl)c3)c3ccccn3)n[nH]2)c1C 1631666788 FVKATRGKICCXQW-QHCPKHFHSA-N 446.942 4.644 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccs1)c1ccc(OC)cc1 1633062298 IVUAKBWCNKLAMI-HXUWFJFHSA-N 428.554 4.597 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)[C@@H]1CCCc2ccccc21 1635885592 WIVNPPKEEYNUIV-WIOPSUGQSA-N 429.564 4.778 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2C(F)(F)F)C1 1648483776 VOXPEWRLYJMTPW-MRXNPFEDSA-N 432.870 4.626 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)C1 1649662677 FOHITGWZODDCAR-NHCUHLMSSA-N 439.629 4.886 30 10 IJEE C=C[C@@H]1OCC[C@H]1NCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 1651091871 WJXXKNVNAOWFOP-UXHICEINSA-N 432.358 4.860 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H](C)c1cccc(OC)c1 1653199386 DPNCXSNMNYERPU-FQEVSTJZSA-N 430.552 4.996 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)c1ccccc1CC#N)C(F)(F)F 1653736568 ACZAJTRMGJVWCN-FQEVSTJZSA-N 426.442 4.631 30 10 IJEE CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 1654550997 IDFGHBLKYHDLKG-XMMPIXPASA-N 435.959 4.583 30 10 IJEE C=CCn1c(SC[C@@H](COC)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1656028473 QCUMOVLFFOHBRV-MRXNPFEDSA-N 434.558 4.512 30 10 IJEE Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C 1658206370 FJUFWXNKMPRZDA-IBGZPJMESA-N 426.520 4.841 30 10 IJEE CN(Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccccc1 1661303112 FCQVNYACJTZWPM-UHFFFAOYSA-N 443.526 4.688 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(Cl)cc1I 1667767479 VTEKADRAZRBCPE-UHFFFAOYSA-N 444.631 4.740 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OCC)c2)CC1 1670178330 GJAWJTFVQIQICS-UHFFFAOYSA-N 440.565 4.949 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 1670349767 JCRUDCPUEAONOM-XJKSGUPXSA-N 442.869 4.862 30 10 IJEE C#CC1(F)CN(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 1670942263 YIMITMLACSPGSN-NSHDSACASA-N 436.249 4.694 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OCc1cccc(Cl)c1 1674669370 RUIWQUJTXQXUKX-UHFFFAOYSA-N 428.916 4.728 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)c(I)c2)c1 1674910482 NPCANQMJCQZXCV-UHFFFAOYSA-N 444.194 4.613 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)c1ccc(F)c(F)c1 1675237658 BKBHGGQUAZBCBR-XZOQPEGZSA-N 429.511 4.727 30 10 IJEE C#CCN(C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)[C@@H]1CCCc2ccccc21 1676046906 DZDJOQGZAQACTE-CLJLJLNGSA-N 433.596 4.801 30 10 IJEE C#C[C@H]1CCCN(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)C1 1676337806 HNVODGKANPELMH-HNNXBMFYSA-N 444.432 4.714 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1678503482 FXMSNIJUXXONLI-HSZRJFAPSA-N 442.003 4.890 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1679874190 ITTNLIIVDNIJDP-LJQANCHMSA-N 437.506 4.584 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)C1 1679943723 AOLBCQCQYGMCCG-SXLOBPIMSA-N 446.979 4.726 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)Cc2ccccc2Br)cc(OC)c1OC 1683367463 QKGFGJSVLHPIGS-OAHLLOKOSA-N 447.373 4.625 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCN1C1CCCCC1 1684061176 SEWDUWIKYGABIQ-IBGZPJMESA-N 438.385 4.693 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1 1684602418 FYTBEDFWHHJVIF-SFHVURJKSA-N 447.366 4.706 30 10 IJEE C#C[C@H](NC(=O)NCc1ccnc(Oc2ccccc2F)c1)c1ccc(Cl)cc1F 1686346794 QXJBMENDFWOJLH-IBGZPJMESA-N 427.838 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN1CCCC1 1689827407 DSMGCORAFXJLRR-RBBKRZOGSA-N 437.632 4.615 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc2cc(Cl)ccc2s1 1689839909 OYSJIGDTNSBEAW-GFCCVEGCSA-N 443.363 4.763 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)OCCc2sccc21 1689840199 UVVXHVQGWKFBJI-PEBXRYMYSA-N 444.963 4.745 30 10 IJEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1Cc1c(C)sc(C)c1Br 1690024219 WZEKDRSAXODLCB-UHFFFAOYSA-N 445.430 4.573 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1690065102 KVHMDAPSMBPDDK-UYAOXDASSA-N 445.405 4.618 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1690177396 UERDWNYDJDHUQM-HXUWFJFHSA-N 440.613 4.647 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1690309559 DDULIUAGEMCKLI-YADARESESA-N 447.583 4.837 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@](C)(OC)C2CC2)CC1 1690364097 JLDFIIQODYGCDW-DFBJGRDBSA-N 440.588 4.788 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1690397262 ZJXBIBTVMGVEHM-NXMSCROESA-N 430.568 4.757 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690404406 CKOOCTZKVGSVRF-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1690442348 QVLDNQYEDCZERZ-QFIPXVFZSA-N 447.583 4.535 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1cccc(OC)c1 1690466965 HOTMOLNWCQNJHG-QHCPKHFHSA-N 434.588 4.846 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC1(C)C)C1CC1 1690550422 WIIRGTPFRXWWQS-OAHLLOKOSA-N 431.378 4.821 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2(COC)CCCC2)C1 1690688725 ZSFUSSZADLXBER-NRFANRHFSA-N 445.007 4.977 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1690705859 FDHSEFHZDYQABN-BAYUQKDNSA-N 445.007 4.507 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1ncc(CC)s1 1705477918 UCIOQFFJLNUJEV-PKOBYXMFSA-N 437.613 4.754 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(F)cc(F)cc2C1 1705523451 YCJRRHBQGGKWBV-IFMALSPDSA-N 442.554 4.841 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(C)C)C1 1705625417 JLNJUBNKLBOJOS-QFIPXVFZSA-N 437.607 4.835 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC 1705697703 XDVKIEMPEOZSOA-RDTXWAMCSA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(OC(C)(C)C)nc1 1705718882 CUBAWUHAHRJSGW-UHFFFAOYSA-N 425.602 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nc(C)cs2)CC1 1705790335 QRLVTKHGDAHWHE-UHFFFAOYSA-N 436.629 4.947 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@H]1C)c1ccccc1 1705798500 SZLKPSYAEFPROJ-CWKRKGSWSA-N 438.616 4.782 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCCNC(=O)OC(C)(C)C 1705873075 WCHVRIQRBVCOFL-UHFFFAOYSA-N 448.571 4.587 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C 1705877547 ACECYRMGMAKBLT-BKMJKUGQSA-N 438.616 4.696 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(F)cc2Cl)C1 1705920068 PLUSYMACVDSGSC-SFHVURJKSA-N 430.911 4.663 30 10 IJEE CCc1ccc(Cn2c(CSc3ccccc3OC)nnc2N(C)[C@H](C)CC#N)s1 1708933107 GFADQZUTVUUKQK-MRXNPFEDSA-N 441.626 4.990 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCSC1)C1CCCC1 1710403510 AHQHQBHUHBBXKB-FCHUYYIVSA-N 439.629 4.744 30 10 IJEE COC1CCC(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 1712033053 AJQKICJEOAKERE-DDRXVLGJSA-N 449.933 4.775 30 10 IJEE COCC1(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1712195862 FJHYEFGJIKGWIU-REHUZNOOSA-N 443.636 4.534 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722310474 KMDCGUSQSJKEJO-RCZVLFRGSA-N 433.644 4.934 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCc2ccccc21 1722340500 ALAXNAAGVVXRFH-VXKWHMMOSA-N 449.599 4.887 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C)CCCC1 1722422568 ZQVNGFUUQJTNIQ-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCN1CCCC[C@@H]1C 1722473790 DCMBMPZJQPJPBV-WNCULLNHSA-N 433.644 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1722501402 PLTXFOBVCUMKOV-CDHQVMDDSA-N 434.943 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)C/C(C)=C\c1ccccc1 1722504354 GDRJJQBEJJYDAX-OBVKGCIASA-N 429.568 4.861 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](CC)OC 1722512031 UXIXUINEAWKEEB-INIZCTEOSA-N 437.382 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)Cc1cccs1 1722512468 HRILAOHEPMSVMK-QGZVFWFLSA-N 448.596 4.937 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2ccccn2)CC1 1722561501 RZXBNOVEDOTQPL-UHFFFAOYSA-N 430.375 4.563 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCC2CC(OC(C)(C)C)C2)CC1 1722566837 AENDSKFRMAHLNA-UHFFFAOYSA-N 429.634 4.774 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OC)CCC(C)CC2)CC1 1722575973 DZTYOGYGWFNGQR-UHFFFAOYSA-N 439.560 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1722590658 HUDPXURACANVPP-UHFFFAOYSA-N 442.007 4.764 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1722596172 DMPWVMNYENDSBN-CNNODRBYSA-N 444.645 4.553 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1722596783 NIAQRWYOPWMZJF-NOZRDPDXSA-N 445.611 4.877 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2[C@H]1C 1722606712 SPTHNRWJNRGNOF-GOSISDBHSA-N 435.597 4.750 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2cc(Br)cs2)C1 1722715225 RNGRFTKQKFVQKA-MRXNPFEDSA-N 437.407 4.589 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1)OC 1726858396 AULMICUABDMQMP-NQIIRXRSSA-N 427.618 4.680 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCN1CCCC1 1740538053 JWEHNCFZQJPLRK-INIZCTEOSA-N 428.005 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740733601 NVJRGHZNIDYADN-LBNPDIFZSA-N 447.671 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C(C)(C)C)C1 1740754846 HIPXUHKDTSIEAQ-QMMLZNLJSA-N 445.007 4.831 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1740779794 AIYSDGMQOPPVEY-GOSISDBHSA-N 428.577 4.712 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740840087 WAFCNJDOGHSRCR-QFIPXVFZSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC2CC2)CC1 1740845671 XRRUMRAZIJTLDD-UHFFFAOYSA-N 444.023 4.741 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1CSC)c1ccccc1 1740855620 NEBKBBFJELLABL-GOTSBHOMSA-N 433.625 4.956 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740857021 ANTDEIFRKKEMSX-FCHUYYIVSA-N 437.588 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C(C)C 1740922520 JZKWYSCRZLIMHQ-GOSISDBHSA-N 431.993 4.919 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CSCCS1 1740923523 NZZCQTNIHZGKJK-ZWKOTPCHSA-N 436.672 4.622 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1740936568 ZYLXPXFTXNKWJY-XMMPIXPASA-N 433.581 4.931 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCC2)C1 1740996381 NFPFHDOBQORQRQ-KRWDZBQOSA-N 449.020 4.750 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1748714452 ITNPFTXJWGTEHL-IRLDBZIGSA-N 438.572 4.682 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCSC1 1748829203 YENRHEIBZQMEEX-IBGZPJMESA-N 447.633 4.593 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(C)coc1C 1748876938 ZKJRRQNRSLHPFQ-UHFFFAOYSA-N 427.335 4.973 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1749106661 HQXBPNJDABHMFV-GJZGRUSLSA-N 428.378 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CCOC)C1 1749124806 PMIYEJXMQZMQIM-WWMYMODYSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)[C@@H](C)Cc2ccccc2OC)nnc1C(C)(C)C 1749140787 SKRJBGGYDUCVCC-VCOUNFBDSA-N 426.605 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccco1)N(C)C 1749149287 YPOQBSIDURMZFP-JOCHJYFZSA-N 430.556 4.792 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1749218673 SHCAMVORUSWOBI-PXNSSMCTSA-N 445.405 4.988 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCC(C)CC2)CC1 1749312120 BHOIUUMGFLCOFI-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1CCOC1 1749357082 IRCNOBDNAHAXSB-INIZCTEOSA-N 449.393 4.544 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749390622 HJDHGGDRXYGAQS-RTBURBONSA-N 432.515 4.766 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1749402463 OIVXANJMXHROJP-RPWUZVMVSA-N 433.600 4.859 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1749515249 UFCUGUNDMFCQDI-UHFFFAOYSA-N 437.466 4.957 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCc2csc(-c3ccccc3)n2)C1 1749694331 QXHGAYBYWAVCFD-HXUWFJFHSA-N 437.613 4.723 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(C)C)C1 1749719009 LNROCKUQMWXLMB-KRWDZBQOSA-N 439.387 4.991 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)C1 1749745353 ZKBUQZUPAFBJNH-CVEARBPZSA-N 439.050 4.932 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749763949 ODHNKILZPUSOHG-UFYCRDLUSA-N 442.629 4.800 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1750227993 DQHRQGRPCQDLNP-HSZRJFAPSA-N 445.608 4.738 30 10 IJEE CC(C)N(CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)C(C)C 1750892174 DTAAYLGONQGDSR-UHFFFAOYSA-N 440.611 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1C(F)(F)F 1760332716 AGZWLWLLFIJWKD-PXNSSMCTSA-N 445.489 4.910 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1760392092 CUBVDNFGUJDVHW-QHCPKHFHSA-N 425.621 4.688 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCOC2CCOCC2)CC1 1760393734 XULIXVDOTDNVQQ-UHFFFAOYSA-N 442.629 4.621 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)c1ccccc1 1760419896 FETNBTSXGZONNF-QFIPXVFZSA-N 444.627 4.860 30 10 IJEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1760431669 YDFVOXDRJNFSQM-GOSISDBHSA-N 444.649 4.620 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCSC(F)(F)F 1760483442 PNJYTAVTNYFEKX-UHFFFAOYSA-N 437.466 4.925 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCC[C@@H]1C 1760485671 MNPOMFBGYNYJTJ-MHECFPHRSA-N 438.597 4.759 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC=C(C)C1 1760561967 SCUMDGBNZMNKEN-UHFFFAOYSA-N 449.418 4.792 30 10 IJEE C=CCSCCn1c(N2CCC(C)(COC)CC2)nnc1C1(c2ccccc2)CCC1 1760568213 BSGHZVRQDRHYAX-UHFFFAOYSA-N 440.657 4.920 30 10 IJEE C[C@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1762871494 DAGHUXOEEDQLLI-RBUKOAKNSA-N 438.595 4.640 30 10 IJEE CCN(CC)Cc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1764982847 HRCCIXQZPKVEJY-AREMUKBSSA-N 446.599 4.867 30 10 IJEE Cc1cc(=O)c(OCc2ccc(Br)cc2F)cn1Cc1ccccc1C#N 1857915760 NTTSMAOCJPMXMW-UHFFFAOYSA-N 427.273 4.557 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(=O)n(CC(C)C)c1)[C@@H](C)CC 1861247681 RTYDGDUBBKVTDC-XUZZJYLKSA-N 447.664 4.906 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccccc2F)cc1 1862390933 OTYMSTGPLIXWMX-QHCPKHFHSA-N 439.527 4.909 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1F 1862464242 RUWMHAAEOGKOEK-GOSISDBHSA-N 425.353 4.616 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(F)c2)c1 1862556166 QECSRGHEHUWQCW-NRFANRHFSA-N 436.870 4.840 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(Cl)cc2)c1 1862557358 KTIJHQBWJQIEJF-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862622935 JCIYWVHRPNLLIX-LJQANCHMSA-N 448.346 4.862 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(F)(F)F)cc1 1862634125 UIAIMFOUWGGQBR-HXPMCKFVSA-N 447.409 4.811 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)OC)cc1 1862653686 UBEVKNXHPFDFRI-QFIPXVFZSA-N 429.472 4.615 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862716848 PMABDAPTFTWASM-BXKMTCNYSA-N 445.515 4.588 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1C 1862881105 WVZFEJRXDIBPNR-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1 1862922205 FSGBSOSAAFVNHN-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(SC)c3)C2=O)cc1 1862965020 COINULCMAMRKLA-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCCCC)cc2)=C(c2ccc(Cl)cc2)C1=O 1863172078 RQIMRWPHWIZZSJ-UHFFFAOYSA-N 438.911 4.675 30 10 IJEE CC/C(=C\C(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(OC)cc1 1866688867 SNIIMPBSCFLEJW-CIEQNIFPSA-N 439.515 4.856 30 10 IJEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868243149 VVCIUYLPUQEUGJ-NRFANRHFSA-N 432.572 4.633 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868398916 TZRPRZSBMXFKPV-OAQYLSRUSA-N 427.556 4.988 30 10 IJEE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2cccnc2)n1 1868575564 JCLCDNKKOJWRTH-XMMPIXPASA-N 436.523 4.637 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1CCCOCCCC 1870345776 LXRZECKKHCLNNZ-UHFFFAOYSA-N 442.575 4.947 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871366685 MKLMGJFWLXYVGU-OYKKKHCWSA-N 430.456 4.994 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 1871414487 KABVMEATRPKAEP-QFEZKATASA-N 448.471 4.786 30 10 IJEE Cc1c(OCC(=O)OCC(C)C)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871427671 OIZDTTDJSNMPPT-GRSHGNNSSA-N 445.309 4.952 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(F)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872363338 IOBMSGQOXWSHAK-NRFANRHFSA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872468208 YLEOKZVGLQXQCS-JOCHJYFZSA-N 432.561 4.618 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872531892 ZKBCEXDCHGSYTL-JOCHJYFZSA-N 428.598 4.823 30 10 IJEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccnc1 1874198593 JPFJEJJVTSJPRB-NLRVBDNBSA-N 429.549 4.998 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874213004 PLZZELOUNZPZGP-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874265786 OKPQFUUAFCQCIY-AWQFTUOYSA-N 438.296 4.676 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874479843 UTUNWTVYLARKMA-BHGWPJFGSA-N 442.507 4.813 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)(C)C)cc1 1874483077 CIYDQESOXWGGTO-ZVHZXABRSA-N 437.569 4.506 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)N(CCC)CCC)nnc2C2CC2)c1 1874520522 IMBFVXZHGVUMCT-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE C=C(C)CSc1nnc(C)n1/N=C/c1cc(Br)c(OCCC)c(OC)c1 1874532445 JLMYZKULHQTCNK-KEBDBYFISA-N 439.379 4.697 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)c(C)c1 1874580363 KHOZAQFGYPCIMW-VMPITWQZSA-N 434.305 4.698 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NCc3ccccc3)c2)cc1C 1874593673 VZYKGORMNJSWMK-FMIVXFBMSA-N 445.515 4.604 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874596964 NDDPVIYOBGBBTE-PKNBQFBNSA-N 443.499 4.988 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)NCc1ccccc1 1874618758 RNMYJNVTMXZUAO-ACCUITESSA-N 429.516 4.903 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)COc2ccc(Cl)c(C)c2)cc1 1874741646 WNDVSYQZPGLPTL-UHFFFAOYSA-N 427.928 4.880 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1875117550 PNUFLWCORULGNI-LFYBBSHMSA-N 433.416 4.727 30 10 IJEE Cc1c(C(=O)N2CC=C(c3cncc(C#N)c3)CC2)sc2nc(-c3ccc(F)cc3)cn12 1890713651 NLTJHOMRLOBKPT-UHFFFAOYSA-N 443.507 4.707 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCCCC[C@@H]1NC(=O)OC(C)(C)C 1922058293 VTMBEASYWGTRKX-JCYRPKCISA-N 446.632 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(OC)c(Br)c1 1922114622 ZWLHITCXLQWSRO-VXKWHMMOSA-N 434.374 4.632 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)C1CCCC1 1984693514 CUSUBTLFEOJSIB-VWLOTQADSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNc2ccc(Cl)cc2C#N)C1 2025250711 VZTYWTWHPXZWRE-NRFANRHFSA-N 440.975 4.745 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)C3CC4(CC(OCc5ccccc5)C4)C3)C2)OC1(C)C 2104028369 NBPIEYYJABEXEB-PBPVNEIASA-N 439.405 4.847 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2124536532 RIJUVSJUJRFEJV-SFHVURJKSA-N 444.381 4.756 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC1CCC(CNC(=O)OC(C)(C)C)CC1 2133569590 MDYVTOJZCOWSRN-UHFFFAOYSA-N 429.399 4.631 30 10 IJEE CC(F)(F)C[C@H]1CSC(=NCc2cc(Br)ccc2Br)N1 2169542024 KJCGVRSQVHVXOZ-JTQLQIEISA-N 428.140 4.818 30 10 IJEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1c1cc(Br)c(C#N)cc1F 2174814298 GTBOATTZVBQIQT-JJRVBVJISA-N 438.341 4.542 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1Br 2180957284 LQJPNJORIQHXKT-CQSZACIVSA-N 449.267 4.713 30 10 IJEE CCc1ccc(C#C[C@@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223358521 GINUTRCFOPMDSM-BUUDZMLXSA-N 436.596 4.687 30 10 IJEE CC1(C)CCN(Cc2ccccc2)CCN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2223452865 RMYOUZQLEWVIGG-UHFFFAOYSA-N 440.462 4.534 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@H](N)C#Cc2ccccc2Br)CC1 2235721823 JHFLMFHRDRESDC-FAFZWHIHSA-N 435.406 4.849 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2235726290 OXQGUPDZJCUXIE-BHIYHBOVSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2ccccc2Br)CC12CCCC2 2235740137 MUXJLVNFDQOHBH-MJGOQNOKSA-N 434.374 4.731 30 10 IJEE CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C#Cc1ccccc1Br 2235749573 LONQXIKQYXZJDM-AZUAARDMSA-N 435.406 4.816 30 10 IJEE Cc1cc(C#N)cnc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243911554 TUNKNELADCCZER-UHFFFAOYSA-N 440.503 4.519 30 10 IJEE CC1(C)OB(c2ccnc(Oc3cc(F)c(Br)cc3Cl)c2F)OC1(C)C 2280717860 LQKVNXYFDCEIIS-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(OC)c1 2281452855 NAXWRZCWQUCJRQ-IEBWSBKVSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CN(c2c(Br)cccc2C#N)C2CC2)C1 2285188870 XSIZCNBTJPUOFG-OAHLLOKOSA-N 434.378 4.937 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2296222785 VXEYSWUCXNQTJX-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2296296394 NGKHLTDSDWRZHS-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE O=C(C[C@H](N=Cc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 2297152460 UATKMMKWSZSPTD-INIZCTEOSA-N 444.658 4.934 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OC)c2)c1 2314429693 MKCGXFPMKXBHIG-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OC(=O)c2cccc([N+](=O)[O-])c2)c1 2314430042 VAYVCROBKPFCAA-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=S)Nc3cccc(C)c3)cc2)cc1 2314548659 PHNISBMHPBNTIU-UHFFFAOYSA-N 445.544 4.943 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317336005 OVYFPYZRIUXWJE-QZTJIDSGSA-N 429.370 4.584 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(CCCn1ccnc1)CO2 2322373993 NPRPTFGDPCLBER-UHFFFAOYSA-N 435.911 4.703 30 10 IJEE CCCOC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)OCCO2 2322667748 KSRIMNPGBBLHKW-UHFFFAOYSA-N 432.472 4.839 30 10 IJEE Cc1c(OC(=O)N2CCOCC2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2322833270 NRCKDFRPXYKABM-UHFFFAOYSA-N 434.275 4.749 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2322968948 AKMLFIWVKCYBDL-UHFFFAOYSA-N 431.419 4.928 30 10 IJEE O=C(COc1cccc(C=CC(=O)c2cccc(Br)c2)c1)Nc1nccs1 2323098120 ZPQCINVLKAZIOB-UHFFFAOYSA-N 443.322 4.819 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)c1 2323486333 SDJPMDHVHMIZLZ-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C=Cc1cc(OC)ccc1OC 2325734876 BZODMGYMANSAAO-UHFFFAOYSA-N 432.605 4.869 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)c1 2325743663 YECJFEFQYZIGMU-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cn(C)c2ccccc12 2326684219 GXMHDAGGXUGPQC-UHFFFAOYSA-N 447.564 4.908 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc([N+](=O)[O-])c1 2326846296 HGQIAHLZJDATBU-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccc(F)c1 2331349383 OPVLXPBDXBOUMH-KRWDZBQOSA-N 439.560 4.612 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cncc(C)c1 2331445507 GCCCSUATASIDIG-UHFFFAOYSA-N 431.444 4.633 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cnccn1 2331493317 WJOZGLOEPUVHID-UHFFFAOYSA-N 432.476 4.733 30 10 IJEE Cc1cc(CN[C@H](C)c2cscc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681332 ZCICKHYBHJCRFH-CQSZACIVSA-N 436.224 4.969 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)c3c(OC)cccc3OC)c1)C2=O 8823883 UIOJXRCHIDTMOX-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE CCOc1ccc(NS(=O)(=O)c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 12484363 VWNJPDGTBBSQRC-PXLXIMEGSA-N 425.466 4.545 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13638907 OKCYGRVVMDSKKJ-UEXGIBASSA-N 445.382 4.740 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3ccccn3)n2)cc1 20835750 NEUDOONJLACYJP-CXEIWHQESA-N 437.573 4.670 30 10 IJEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N\Nc1ccccc1[N+](=O)[O-] 27499214 YAXXFJGEJLUTLT-QJOMJCCJSA-N 440.872 4.562 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2OC)cc1 34955301 WYHKEROVPDDLFU-WLRTZDKTSA-N 448.471 4.836 30 10 IJEE CCCCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCOC)c1 35443378 VAJWKHQYXHQOLF-IHXXNJTDSA-N 449.547 4.880 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(N(C)C)cc1 40101560 FQODBPBXIVJXFJ-HSZRJFAPSA-N 436.552 4.920 30 10 IJEE Cc1c(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(O)n(Cc2ccccc2)c(=O)c1C#N 40523092 LCTGESMIHWUIFF-CRAIPNDOSA-N 431.319 4.556 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 41287676 DFKVODUYXWWFFY-NHDPSOOVSA-N 431.400 4.747 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(F)c2)c1 169928733 SHRLOLDKTIHOPX-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(O)cc2)c1C 169961044 KDHHIXWMJSUDIX-QHCPKHFHSA-N 443.455 4.521 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968190 NNRLRWNJTNQKRQ-HXUWFJFHSA-N 448.500 4.580 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(OC(C)C)c2)cc1 169980019 KUBONJGSEUDELA-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccncc2)s1 170026423 DBLRENGXSXFIJF-QGZVFWFLSA-N 448.529 4.548 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2c[nH]c3ccccc23)cc1 170077040 ZYZYIBSYUKPTTF-XMMPIXPASA-N 437.499 4.904 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170083091 DVQAEXBIJYCTFS-NRFANRHFSA-N 437.854 4.963 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1sccc1C 170107875 GQQMTYDHIDEDKC-LJQANCHMSA-N 447.528 4.598 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)cc1 170157829 ZGRLERFUURFTMN-PEBXRYMYSA-N 447.512 4.863 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccs1 170160130 QUZYSAVZBJYBEK-RCDICMHDSA-N 447.512 4.863 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c1 170163087 RFHGTPYHGRCAPR-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC)cc1 170215015 NWSVJQUGPVPJBA-DEOSSOPVSA-N 449.547 4.579 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccccc1F 170252567 JOBMDGFNPNMZEF-HXUWFJFHSA-N 447.890 4.875 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccc(F)cc4)[C@@H]3c3ccco3)ccc2O1 170296871 VUNFVQPNWBZOLA-NPMXOYFQSA-N 447.462 4.563 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)o1 170306750 UEXXFTFLRIYJRK-AVRDEDQJSA-N 437.536 4.951 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1cccc(OCc2ccccc2)c1 170457747 WQKUQSRQGTVXRB-JOCHJYFZSA-N 437.536 4.613 30 10 IJEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccs3)nc2cc1C 170477525 MMVVRKQRIMPHNR-QGZVFWFLSA-N 428.535 4.800 30 10 IJEE C[Si](C)(C)C#CN(Cc1ccccc1)C(=O)c1ccccc1I 205729288 YUVKDQKZVSYPQE-UHFFFAOYSA-N 433.365 4.772 30 10 IJEE Cc1nc(N)nc(NCc2ccccn2)c1C#CC(C)(C)c1ccc(C(F)(F)F)cc1 248202350 XAQJQTSMUJPVLY-UHFFFAOYSA-N 425.458 4.722 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1nnc(-c2ccc3ccccc3c2)n1N 253570725 OAGGYLNILGTMBV-UHFFFAOYSA-N 447.589 4.821 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H]1CCCCN1Cc1ccccc1 379615571 AZGGFPHYDGICLD-QFIPXVFZSA-N 427.386 4.605 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1Cc1ccccc1OC 460798193 MCKWTDDMQDPJNW-HSZRJFAPSA-N 432.568 4.791 30 10 IJEE COC(=O)c1c(NC(=O)N2CCC(C)(C#N)CC2)sc2c1CC[C@@H](c1ccccc1)C2 506750471 VBIVXWXUXXAIHJ-QGZVFWFLSA-N 437.565 4.965 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(c2nccs2)CC1 508461153 JAJHGPDZNFBHLQ-UHFFFAOYSA-N 439.585 4.767 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 516514596 AJTXDKRSRFCHIG-OAQYLSRUSA-N 431.437 4.544 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(OC)c1 526825317 CIIAMADTIMMKKI-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE COc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 531145812 ICNQHOQVEVFBSM-UHFFFAOYSA-N 437.858 4.793 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 583512439 KXJVSGHDEZLTDY-FQEVSTJZSA-N 437.931 4.720 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCc1ccccc1)Cc1cccc(C#N)c1 586153742 URZLELXKFMIKGC-UHFFFAOYSA-N 440.952 4.654 30 10 IJEE Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)o1 615385718 BHPZCRLTGPIFFY-HRAATJIYSA-N 444.491 4.585 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H]1c1cnn(C)c1 685539679 ZFBACFCDMVLCDW-PXNSSMCTSA-N 440.979 4.949 30 10 IJEE C[C@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709339022 BRTZDWNHLOBASD-CMBDLQSPSA-N 434.541 4.604 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(N4CCOCC4)c(F)c3)c2)s1 740446650 AUBKFYRAFWBQQN-UHFFFAOYSA-N 436.512 4.584 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1(c2ccc(F)cc2)CCCC1 744488556 DGVGIACXJZORMN-GOSISDBHSA-N 438.499 4.525 30 10 IJEE COc1ccc(CNC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)cc1C#N 746877084 ICPUVNXTQIPSCP-UHFFFAOYSA-N 433.533 4.520 30 10 IJEE C[C@H](OC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 759842326 BTGKEDHMGPEYHW-OLZOCXBDSA-N 444.940 4.541 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CNC2(c3nc(C)cs3)CCC2)c1=S 764113214 SVYWEUGNLLSUEY-UHFFFAOYSA-N 427.599 4.571 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1sc(SC(F)F)nc1C 796635376 ZJXCVGMWQXGXDC-AWEZNQCLSA-N 437.537 4.781 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1OC 916445819 UALBDOZGZZBVSJ-LFYBBSHMSA-N 434.467 4.916 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1)c1ccc(C)cc1 1084103441 ZHVDSPWVVRVDAT-UHFFFAOYSA-N 448.474 4.699 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 1084488019 MELXGFSUMBXVAX-HNNXBMFYSA-N 426.300 4.723 30 10 IJEE CC(C)c1ccc2c(Cl)c(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)sc2c1 1127220067 HSIRRNWLSZJBOT-AWEZNQCLSA-N 439.972 4.691 30 10 IJEE Cc1cc(C(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)nn1-c1cccc(C#N)c1 1127661319 AERNFSGLISHMOD-ZDUSSCGKSA-N 430.842 4.798 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)c1 1136055563 OUMPNNKEPCSZFJ-RUZDIDTESA-N 443.524 4.749 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(F)c(F)c1 1138369145 OIICOMGKIMKEJB-JOCHJYFZSA-N 442.487 4.813 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F 1160808326 NTHAANWPXZVHGU-GXTWGEPZSA-N 436.858 4.991 30 10 IJEE C#Cc1cccc(N(CC)CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 1192139788 LKKXMOZNKFBWQJ-UHFFFAOYSA-N 448.570 4.722 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 1215510150 KVOCSENRYSOICR-IBGZPJMESA-N 439.487 4.994 30 10 IJEE C#CC[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 1222094209 FQDKUUXGUOSWGF-AWEZNQCLSA-N 431.851 4.734 30 10 IJEE Cc1cccc(C)c1OC[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 1226395612 CHVLROLPNBBYQM-DEOSSOPVSA-N 429.520 4.825 30 10 IJEE C=CCONC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1228429513 RJEDJLNVNMXZPQ-KRWDZBQOSA-N 426.369 4.571 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1264361675 ODUNNLFDJKGMCK-UHFFFAOYSA-N 434.945 4.537 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(=O)n(-c4cccc(F)c4)c3)c2)s1 1265348875 BVAWYSPTDROGJN-UHFFFAOYSA-N 429.476 4.507 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCc1csc(CC)n1 1286527399 ARQOSNSXZRZXKJ-RUZDIDTESA-N 449.624 4.728 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCN1CCCC[C@@H]1CC 1286527680 HHUUCKKJIFPZGY-RPLLCQBOSA-N 433.644 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N 1286549631 GCQQIEFCPXYSTI-VCBZYWHSSA-N 434.371 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(F)(F)F 1286551814 NMURFDKEHFTHJJ-PXNSSMCTSA-N 445.489 4.863 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286587210 ASVBTORGKNBZPL-QGZVFWFLSA-N 425.945 4.686 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(N(CC)CC)CC1 1286587707 RKCCOYJUVLVXHA-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@](C)(O)c2ccccc2)CC1 1286653901 AMEYUBGCNYAXEC-DEOSSOPVSA-N 437.975 4.694 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(OC)C1 1286707896 LPPXUKGTNVQRLL-NRFANRHFSA-N 439.387 4.850 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(OCC(F)(F)F)c1 1286719907 SHGWGYYNNOLLFE-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(c1nnc(-c2cc3ccccc3o2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1286735060 MQGDPHUPOXZXGY-UHFFFAOYSA-N 437.544 4.713 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cnc(C)s2)cc1 1286794798 RNCPSAUXXXNTNQ-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2nccs2)CC1 1286824835 AYALDZANMFVQTM-UHFFFAOYSA-N 441.626 4.713 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1286831657 BRONFKWFILVEJP-UHFFFAOYSA-N 438.601 4.530 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cnccc2-c2ccc(N(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1288782951 VKDJPNSLLVKEDP-SANMLTNESA-N 448.567 4.546 30 10 IJEE C#CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@H]1CCCc2ccccc21 1289232308 BWKGXFWYRYLUTJ-QFIPXVFZSA-N 446.572 4.909 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2ccccc2Cl)s1 1292069102 RTEYURDPQFDZJB-ZDUSSCGKSA-N 443.356 4.833 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 1293528367 UAFBZMFURQWUFP-WMZOPIPTSA-N 439.984 4.547 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCC=CO1 1296453782 MGLVCSFQNIOKNO-KBMIEXCESA-N 446.547 4.669 30 10 IJEE N#CC1(CC(=O)N(CCn2ccnc2)Cc2ccccc2Br)CCCCC1 1297752720 ACKILTCXSRZEHF-UHFFFAOYSA-N 429.362 4.539 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCOCC2(CCC2)C1 1300830652 HZZUCOCQPKHKPR-LJQANCHMSA-N 445.405 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1300872077 FBPXYLOFNHYSSF-KWOQKUFVSA-N 437.632 4.716 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCOc2ccc(OC)cc2)CC1 1301120044 FUAYKDQQJGMDEC-UHFFFAOYSA-N 433.556 4.529 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCOc1ccc(Cl)cc1 1301147116 AXLZKPUCNITBQB-GOSISDBHSA-N 432.996 4.943 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCCCC1 1301272491 HDOPASABAFEUNJ-NRFANRHFSA-N 425.621 4.922 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1CCC(OC)CC1)C1CC1 1301314069 MHSSHKNMKXHNIZ-PGYGNJIDSA-N 428.552 4.917 30 10 IJEE CC(C)c1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(CCC#N)CC2CC2)cs1 1302545381 HYNVCUZKZDHVSJ-UHFFFAOYSA-N 445.596 4.769 30 10 IJEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(COc2ccccc2C(F)(F)F)CC1 1307694954 FCWOBEDAIUCQIM-NRFANRHFSA-N 432.442 4.582 30 10 IJEE C#Cc1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c(Cl)c1 1311259537 YVSBIXBOXDIVRK-UHFFFAOYSA-N 431.923 4.881 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1313517164 DVGWARLGHWNNJL-UHFFFAOYSA-N 444.564 4.747 30 10 IJEE COCCC1(Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1315986238 BAZXZZWYZUXTBO-FQEVSTJZSA-N 448.615 4.933 30 10 IJEE C=CCN(C(=O)c1cc2c(o1)CCCC2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1349332944 SGKBPEUUBOHNCP-UHFFFAOYSA-N 442.562 4.518 30 10 IJEE C=CCN(C(=O)c1cc(Cl)c(I)cc1OC)c1ccccc1 1349734308 OHPXHRCBOSTJSO-UHFFFAOYSA-N 427.669 4.786 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 1352421782 GUGSFPQKCGQQIO-OAQYLSRUSA-N 435.321 4.800 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1358882163 UOPVBJAGUSSYJY-SSPYTLHUSA-N 438.616 4.889 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](CC)C1 1358922897 VZUWPLJNCLRHEI-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1359076426 BKEQRRDFQVYBFB-DDUZABMNSA-N 437.357 4.806 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1359076427 BKEQRRDFQVYBFB-JCKWVBRZSA-N 437.357 4.806 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1359128751 DYWPXVGNJJAOKG-UHFFFAOYSA-N 449.599 4.540 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[S@](=O)C(C)(C)C)CC1 1359161931 VSLCCZGBVFUXLX-ZQHDKMAOSA-N 446.686 4.835 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCCn2ccnc2C)CC1 1359181033 BZGMKZBJKCMCCT-UHFFFAOYSA-N 448.615 4.862 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(SC)CCOCC1 1359268010 ZZQZCYREJGRCGQ-UHFFFAOYSA-N 449.624 4.892 30 10 IJEE O=C(c1nn(-c2ccccc2F)c2c1CCCC2)N1CCC(C(F)(F)F)(C(F)(F)F)C1 1360126582 CHODGJRSJXQHIX-UHFFFAOYSA-N 449.370 4.847 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCC(C)(C)O 1360986294 ACGGTUHYUBZMLM-SJORKVTESA-N 433.984 4.588 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(Br)cc1 1436650935 HUCOSWVZNFQCAB-GOSISDBHSA-N 439.334 4.867 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1438139052 CHWHEJUETNNSDJ-HNNXBMFYSA-N 441.409 4.848 30 10 IJEE C#CC1CCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 1452176758 MLJZMOBLJGELEA-SFHVURJKSA-N 425.356 4.773 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CCCC1 1453350856 YWWLRDGQWMFSKF-UHFFFAOYSA-N 430.545 4.883 30 10 IJEE Cc1cccc(Nc2ccccc2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C 1458877590 DKDZBVRRMODMHB-RUZDIDTESA-N 438.531 4.844 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3ccccc3)[C@H]2C)n(Cc2ccc(F)cc2)c1C 1459618132 BGAOXQJBHVNAGI-HYBUGGRVSA-N 444.554 4.981 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CCCC1(C)C 1459680290 HOUOBJPCUFGBIA-QHCPKHFHSA-N 430.548 4.732 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@]2(C)CC=CCC2)c1 1460814275 JISPQHZTWAIJQX-HSZRJFAPSA-N 444.984 4.950 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](O)c1ccc(-c2ccccc2)cc1 1461409381 NCVTUYOTPGELDX-HSZRJFAPSA-N 436.349 4.951 30 10 IJEE CO[C@@H](CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)C1CCCC1 1463106718 ARCHQYBMRMLGKJ-QFIPXVFZSA-N 432.973 4.753 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C(F)(F)F)cc1 1463379850 SAZDZOGAGBDIJO-MRXNPFEDSA-N 444.431 4.608 30 10 IJEE C=CCn1c(SC[C@H]2CCCN2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1472922683 XOXBVYRLXDPPLZ-QGZVFWFLSA-N 429.586 4.945 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 1476743551 BCSHMPMFQRLGLM-UHFFFAOYSA-N 430.917 4.657 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)cc1 1478374474 LACYJKIRQSLKKL-LJQANCHMSA-N 426.516 4.688 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1C1CCC1 1507744578 NGKUHAXYPYSJIV-LJQANCHMSA-N 432.540 4.682 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(OCCCOC)CC1 1507826996 NMMPGRQAFPQWOI-UHFFFAOYSA-N 444.645 4.874 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1507905957 XNCQDNBTGPBTHB-SFHVURJKSA-N 438.597 4.809 30 10 IJEE C=CCCCn1c(C(C)C)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1507942456 CXQPEKBWLZVNPI-KRWDZBQOSA-N 441.567 4.839 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCc1cc(C(F)(F)F)ccn1 1507975779 XZTWKDIYPUDZLR-UHFFFAOYSA-N 427.430 4.970 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)cc1OCC(F)(F)F 1507978187 HGDHXLMFYAEJHW-UHFFFAOYSA-N 431.462 4.569 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCCCC1 1508037130 JSUJIQSBLHAMFQ-UHFFFAOYSA-N 444.645 4.610 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCc1ccsc1 1508038078 PZNILAWFQHRWHZ-UHFFFAOYSA-N 447.402 4.651 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H](C)CC#N 1511915536 BXJOZEVLWFRDIG-RKVPGOIHSA-N 440.523 4.704 30 10 IJEE CSC1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)CC1 1520023872 BNTAIHBZEZRPHP-ZDUSSCGKSA-N 440.400 4.655 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 1523743912 AXAMTXIAQVCZMO-QHCPKHFHSA-N 449.348 4.960 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc(Cl)cs1)c1ccc2c(c1)OCCO2 1524358451 QGAMQYWWNHMZHH-UHFFFAOYSA-N 442.924 4.980 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 1526179490 SONJDXQMRSZFGM-UHFFFAOYSA-N 434.992 4.937 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc1OC 1528321304 OQXNTSMEQFVUPP-YBHKSSGVSA-N 435.442 4.876 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)cc1OC 1530893789 OQJOGGJXXWYPDX-SINXNMPMSA-N 435.442 4.796 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)cc1 1532570735 ZZWQKPAQJHUXMI-KRWDZBQOSA-N 442.187 4.728 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc3c(cc2Cl)OCCCO3)CCCN1C(=O)OC(C)(C)C 1532738085 OAYFJTHOMTUFGI-QFIPXVFZSA-N 436.936 4.786 30 10 IJEE CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[C@H](CC#N)c1ccccc1 1533446809 HQAQFIXWFNXAIR-PXNSSMCTSA-N 433.335 4.671 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1ccccc1 1534344313 QFQQMSBFTLNOGK-VXKWHMMOSA-N 437.609 4.762 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@]23CCCC[C@H]2C3)c1 1535054066 PQHBNLWAWDNQII-MBSDFSHPSA-N 444.984 4.784 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(OC)cc2F)nnc1-c1ccc(Cl)cc1 1535138650 DUYGCINBVCBORX-UHFFFAOYSA-N 432.908 4.663 30 10 IJEE COc1ccc(C2(CNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CCC2)cc1 1536560082 IEIGZKXAABPSQP-UHFFFAOYSA-N 442.563 4.941 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3sc(-c4ccc(C)cc4)nc3C)cc2C1=O 1538351276 TUAQCKLUZCWQMT-HNNXBMFYSA-N 445.544 4.700 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCCO1 1539052872 VTOBNKTZORPEPX-LJQANCHMSA-N 445.405 4.825 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1539058969 KYMSAFQHOJYBGE-XZOQPEGZSA-N 436.600 4.931 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C(C)(C)C1 1539115402 AGDBTFBWBWBCOV-IBGZPJMESA-N 446.599 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccsc1 1539665623 CCGUVSWBZOPXFY-UHFFFAOYSA-N 448.596 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@H](C)C1 1539910775 OQWPSWNEJOZVBD-HZPDHXFCSA-N 433.394 4.924 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc2c1OCO2 1539945459 OMMSNYJFGLTIHC-UHFFFAOYSA-N 439.947 4.953 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1540006605 FIVIZGCTRJAGAP-DHLKQENFSA-N 444.627 4.719 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCO[C@@H]1C(=C)C 1540133911 PHYMWARKVJIYAS-ZJSXRUAMSA-N 449.624 4.808 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1540147927 XKQLTTDWYOYMSW-PKOBYXMFSA-N 445.633 4.740 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1sc(C)nc1C 1540155244 PNBYVSSLFFGUGP-MRXNPFEDSA-N 427.549 4.857 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ncc(CC)s1 1540855978 JKBCIAVOWPGPOD-UHFFFAOYSA-N 448.390 4.558 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCS2)C1 1540884394 OQWGVMBPHCKICQ-AHRSYUTCSA-N 449.020 4.748 30 10 IJEE Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 1542421422 FMMWQLMRPWZHEH-UHFFFAOYSA-N 442.504 4.570 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)c2)cc1 1558111941 AZZWTNDGYSPAGS-FCHUYYIVSA-N 439.437 4.566 30 10 IJEE Cc1ccc(-c2c(C)sc3nc(CN(C)C[C@@H](O)c4cccc(C#N)c4)nc(O)c23)cc1 1559976113 KDVBNXAEIFYWAX-HXUWFJFHSA-N 444.560 4.718 30 10 IJEE C=CCOc1c(Br)cc(CN[C@]2(CO)CCCC(C)(C)C2)cc1OCC 1560536635 QFCGCDXVTMEUKJ-OAQYLSRUSA-N 426.395 4.834 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCc2ccc(-c3ccccc3)cc2)cc1 1562197750 SYOXIWHBAQQPDS-UHFFFAOYSA-N 449.576 4.524 30 10 IJEE COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1564110695 ADJWDEXKRBETRZ-NRFANRHFSA-N 427.932 4.780 30 10 IJEE C#C[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1 1584689149 GZXGCFSPUMECDF-UXHICEINSA-N 431.761 4.730 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 1585491805 XUINLPWDMLLYHL-FQEVSTJZSA-N 426.582 4.759 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)nnc1-c1ccco1 1587377228 ADFDLSILLHFJCJ-SAABIXHNSA-N 440.594 4.646 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCSC(CC)(CC)C1 1587773218 FFBILTVPGBEKNY-UHFFFAOYSA-N 426.630 4.793 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@](C)(CC)O1 1588279764 AXRWZXZVNFPILO-KKSFZXQISA-N 449.368 4.654 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCO[C@@H](C)C1 1588481878 MUNLWCXNKKUIKR-SFTDATJTSA-N 447.558 4.633 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)SC 1588604521 KMDLPTVHIZHOJS-INIZCTEOSA-N 444.601 4.650 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1589316888 IGUGYOBQQDFCST-KRWDZBQOSA-N 448.315 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(C(C)C)CC1 1589557115 GTNPJRZIGBQAGY-DHLKQENFSA-N 438.616 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCCCC1 1589599999 ROIOHRBITZPUNW-HXUWFJFHSA-N 429.584 4.836 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCOCC1 1593703627 LDVFUEMJAFJIOO-UHFFFAOYSA-N 432.977 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1594473365 QYZJRXCTIZANBQ-LJQANCHMSA-N 439.585 4.590 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CCc1ccc(Br)s1 1595127054 DCNZVJZLFURPPQ-UHFFFAOYSA-N 435.366 4.985 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC(C)(C)C1)C(C)C 1595170599 FJVIUZUNQNJWHG-YADHBBJMSA-N 429.653 4.845 30 10 IJEE C=C1CCC(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 1611416325 YZYLUBDQQBSNJZ-GOSISDBHSA-N 437.378 4.878 30 10 IJEE COc1cccc(/C=C(/CC(=O)Nc2c(C#N)c(C)nn2C)c2nc3ccccc3s2)c1 1617078485 BNFJGWOLVBYWQD-BOPFTXTBSA-N 443.532 4.788 30 10 IJEE C#CCOc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 1621000370 AVOCDTHXEQDYPS-DNQXCXABSA-N 438.543 4.721 30 10 IJEE Cc1ccc(CS(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c(F)c1 1621755731 BTQUCHHPFCIVGM-UHFFFAOYSA-N 426.488 4.990 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(I)c1C)c1ccc(Cl)cc1F 1623632972 RZJAYPPESBWKNT-HNNXBMFYSA-N 442.659 4.888 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(OC)ccc3Cl)no2)cc1 1623891487 YEEVZPJSJMFHGO-UHFFFAOYSA-N 426.860 4.563 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)cc1OC 1624683324 AJHJGBXZHAOWNF-POHAHGRESA-N 437.414 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Nc2ccc(SC(C)(C)C)c(F)c2)C1 1625154751 FXKFTFXTMZYEOS-CJNGLKHVSA-N 436.553 4.597 30 10 IJEE CCOc1nc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc2[nH]1 1627879048 IEOFMTUTUGGOCF-UHFFFAOYSA-N 426.476 4.973 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 1631635008 BFXPYBQXEAQZCC-LPHOPBHVSA-N 442.560 4.726 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 1632050599 YLVKZUJOOJKJJB-HOTGVXAUSA-N 426.916 4.580 30 10 IJEE C#CC1(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CCCC1 1633145419 QIYDZNIDWDYHIQ-HNNXBMFYSA-N 437.590 4.748 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC(C)(C)c1cccc(Cl)c1F 1633613335 QCVCJDUUNWZUKD-UHFFFAOYSA-N 427.907 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 1634216557 ZGSQDGQUYDPSEP-IERDGZPVSA-N 429.904 4.571 30 10 IJEE C=CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 1634303167 YAOZKWJOJMDFTH-ZSFFSCSXSA-N 443.503 4.687 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1C 1634790646 ZRRGHJUNWVKRQS-UHFFFAOYSA-N 429.904 4.716 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1)C(=O)OC 1638394641 CXIDADNBAIBVDO-HSZRJFAPSA-N 431.536 4.784 30 10 IJEE C=CC[C@H](Cc1ccccc1)Nc1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c12 1642788998 FUAUETLAMURTJW-GOSISDBHSA-N 438.597 4.837 30 10 IJEE CC[C@H](C)[C@@H](NCc1cc(C#N)ccc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 1645099639 BQXGBSVQEQYCPQ-RXFWQSSRSA-N 433.596 4.552 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccccc2)c(Cl)c1 1645997729 LRAWSGRXRHLSSJ-UHFFFAOYSA-N 434.879 4.843 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)cc1 1650958051 HUGACUNXYYITNZ-UHFFFAOYSA-N 445.866 4.534 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21 1653456656 ILVBZTCAHUBDDL-VQTJNVASSA-N 430.548 4.566 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)c1ccccc1 1662358486 HTTMKPMYIZTSMP-INIZCTEOSA-N 439.331 4.652 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)c1 1667411542 GZPBRZIRPYRUAC-NRFANRHFSA-N 449.551 4.798 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 1668996377 IPEMCQNVVZNNJI-LJQANCHMSA-N 439.487 4.994 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(-c2nc(CC)no2)ccc1C)c1ccc(Br)cc1 1669178573 QSYJQWMRAPJOFG-KRWDZBQOSA-N 439.313 4.866 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc1 1673393936 UHTRXFWTCJECCB-QHCPKHFHSA-N 439.581 4.567 30 10 IJEE C=CC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 1675091071 USYDQDJIAHBOLY-AWEZNQCLSA-N 425.710 4.953 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)c1ccc(F)c(F)c1 1675699215 MDIOSIRHXWQTGL-PKTZIBPZSA-N 429.511 4.727 30 10 IJEE Cc1ccccc1[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[C@@H](C)C1 1678610209 CPLZNBKDMWHLLL-OPJGWUQDSA-N 431.584 4.661 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1678882981 HOGDCXCIPUDFIH-QFIPXVFZSA-N 447.501 4.999 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cc(Br)cc(I)c1 1679530905 JRMKUAPKBVFEAW-UHFFFAOYSA-N 437.119 4.920 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)[C@H]1CCCc2ccccc21 1681717257 RELOIYUUBZSSOS-IZZNHLLZSA-N 433.596 4.799 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1)c1ccc(Cl)cc1F 1683689842 UTZDKAZPUBSBBG-XWEVFREBSA-N 444.934 4.677 30 10 IJEE C#CCN(C(=O)NCCc1ccc(C)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1687001627 GGXGMLWWMJHEFM-OAQYLSRUSA-N 441.369 4.777 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N(C)c1ccccc1 1689951427 WYSGEPYZCGLAFT-IBGZPJMESA-N 433.625 4.870 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](OC)C(C)(C)C 1690003826 ZDKGKKBNNZUGNU-SFHVURJKSA-N 441.000 4.947 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1690219697 JQHCPSSZLOIHOM-INIZCTEOSA-N 432.410 4.937 30 10 IJEE C=C(Br)Cn1c(N2CCO[C@@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1690234337 AQTOKGYERWTFBX-LJQANCHMSA-N 445.405 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1690237793 ASPRBEBLVIYJEW-PXNSSMCTSA-N 448.489 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(CC)C1 1690241199 PPPWWSUNQVDFTC-LEDOBFOHSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@H]1C 1690300487 CPCUQPSJRCZOTJ-UYAOXDASSA-N 430.618 4.569 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1690415135 YRCSPMQABICMCV-HXUWFJFHSA-N 449.643 4.990 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCC(F)(F)F 1690419832 CLBCTHKSPZLCFQ-UHFFFAOYSA-N 426.483 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1690434799 HLFMWHKZLIJDTJ-SFHVURJKSA-N 430.980 4.514 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(Cl)ccn1 1690472060 CCLZVHAMIZUZOK-UHFFFAOYSA-N 449.784 4.697 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1690488717 SKJNQHVLCJIJQA-OAQYLSRUSA-N 441.938 4.601 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@@H](F)C1 1690737112 AEODVVAPZPRXPB-WBMJQRKESA-N 443.361 4.560 30 10 IJEE COC1(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@H](C)C#N)CCC(C)CC1 1697230391 CLIXZGZYECBXHY-FAFRJYIDSA-N 448.571 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCO[C@@H]1CCCC[C@@H]1C 1705478029 VNKQAZVUZADEQB-VNYTWHDVSA-N 428.552 4.610 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705698208 QXIBVKMESOMGIH-GKMGCJOJSA-N 438.616 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC1CCCCC1 1705710390 XNVRBXCSTASDIT-RDPSFJRHSA-N 442.579 4.994 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705760732 QQBHFRHRCUIWHT-BBWFWOEESA-N 447.967 4.736 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1705779536 MSRXXSRGAWYMKJ-XMMPIXPASA-N 430.600 4.608 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCc1scnc1C 1705865286 VHICIEFJSIHFGU-HXUWFJFHSA-N 441.576 4.859 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2ccc(F)cc2C1)C(C)C 1705867363 MSUKUKNAZFIEJU-DEOSSOPVSA-N 448.590 4.674 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(CC)CC(=C)C 1705902033 DHJWURBUONNLIM-UHFFFAOYSA-N 439.560 4.517 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2cccs2)cn1 1706271822 FEYXEHVREVXWHS-UHFFFAOYSA-N 443.580 4.671 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1706743794 FLZIIDOMGNPGKT-OVWQWFNUSA-N 428.378 4.882 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](CC)C1 1722325484 KMDNIMPQUQRQPJ-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C)CC1 1722452705 SEYBVSWCHMXWKO-UHFFFAOYSA-N 433.625 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CC 1722467048 KWWGLDZLOZLYCI-QSEAXJEQSA-N 449.643 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1(CC(C)C)CC1 1722468577 QFXHHWOKECJSPF-HXUWFJFHSA-N 430.394 4.854 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H](c1c(F)cccc1F)N(C)C 1722514736 IPQBLOXFBKESNG-HXUWFJFHSA-N 445.583 4.914 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccc2c(c1)OCO2 1722526450 WXMZBSXMXQOXLQ-WIYYLYMNSA-N 426.561 4.528 30 10 IJEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1)c1ccccc1 1722542252 WHDDEOWMSAWUEA-VSKRKVRLSA-N 426.630 4.996 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCOC2CCOCC2)CC1 1722574402 LUGLAZDHNPIULT-XMMPIXPASA-N 438.616 4.808 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ncccc2C)CC1 1722575782 WXFICMVPBOMURQ-UHFFFAOYSA-N 447.583 4.895 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C(C)C 1722598451 HUJFAFVJAFXGPE-HXUWFJFHSA-N 429.996 4.843 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722615910 CUDSMUFDDISGGV-MOPGFXCFSA-N 433.641 4.963 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CC(C)(C)C(=O)NCC 1722663176 VHPGISDUIHIDAA-UHFFFAOYSA-N 441.576 4.501 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCC[C@H](C)C2)C1 1722713424 BHJAOIFZIUHIED-UNMCSNQZSA-N 437.632 4.545 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)C(C)(C)C1 1722734304 BFMNYCOIRIOKJI-QGZVFWFLSA-N 428.602 4.508 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCCCCC1 1740543818 XAOGQTPWXQQUSM-JOCHJYFZSA-N 437.632 4.704 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)c1ccccn1 1740557204 LZBJCXNRMQRHOO-HXUWFJFHSA-N 445.611 4.985 30 10 IJEE C#CCCCCn1c(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1740579410 RHVVUCUPUCETMC-UYAOXDASSA-N 446.517 4.708 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1csc(CC)n1 1740597046 JAWOTNZLQPAATL-UHFFFAOYSA-N 425.627 4.948 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CC[C@@H](OC)C(CC)CC 1740605377 BQIUYNFAJTUBTA-LJQANCHMSA-N 433.394 4.618 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCC2(CCCCC2)O1 1740630942 GTBXYFYJZWTGRM-BJKOFHAPSA-N 430.596 4.775 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCC1(C)C 1740633354 DWIDWXGDNZJUDQ-SFHVURJKSA-N 425.374 4.607 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCCNc1ccccn1 1740677597 XTSLNDPEMQIEQM-UHFFFAOYSA-N 432.547 4.612 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCCC[C@@H](SCC)C1 1740747103 YPEPLKIOBLIGBX-MRXNPFEDSA-N 441.464 4.951 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCC(C)(C)C1 1740894284 OSGTYEUCWYAPRB-SFHVURJKSA-N 427.662 4.876 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CC(F)(F)CO1 1740935934 BKCRJVACGRZDNV-QGZVFWFLSA-N 448.901 4.851 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC1CCC1)CC1CC1 1740954481 NUFVYJPUZZJZFE-UHFFFAOYSA-N 435.616 4.561 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(Cc2cccs2)C(C)C)cc1 1740967681 NKYNXRIOYGGNMA-HXUWFJFHSA-N 438.597 4.872 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC=CCC2)C1 1740972073 CJCAKIUCOGGXQE-WOIUINJBSA-N 426.536 4.695 30 10 IJEE CCOC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CCCC1 1746746009 HHJRLDXAXNJBEI-MSOLQXFVSA-N 429.540 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H]1CCCCO1 1748647299 MQLATSUEYRKWCB-YLJYHZDGSA-N 435.597 4.794 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1748730453 MZMFTOGYIFQVDD-HSALFYBXSA-N 434.575 4.872 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCSC1(C)C 1748868215 TXTYOUQKNCJGDQ-OALUTQOASA-N 440.588 4.552 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2cccs2)CC1 1749119263 PLLPOXGLNIRWOO-JLMWRMLUSA-N 442.629 4.934 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1Cc1ccccc1 1749174930 HZCPEAFCHFOFGE-LJQANCHMSA-N 440.389 4.834 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ncc(Cl)n1C 1749181787 FFMDYFLSPFREIQ-AWEZNQCLSA-N 431.009 4.731 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(F)c(Cl)c2)CC1 1749336076 XUQZQEZRHUSSLG-UHFFFAOYSA-N 429.927 4.558 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C)C1)c1ccccc1 1749385710 TXVSIAXQXIZXPK-PXNSSMCTSA-N 439.654 4.935 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1749402005 HLAWZKZRDTZFPL-RTBURBONSA-N 430.980 4.840 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1749404378 XGPGLJCSXVIKRJ-FQEVSTJZSA-N 435.576 4.511 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CC[C@H]1C2 1749460512 CBNCOYJGWRMNTK-RDJZCZTQSA-N 437.371 4.745 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)c1nc(C)cs1 1749573650 RWFCNZUDDFZSIL-SFHVURJKSA-N 445.596 4.878 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccnc(SC)c2)C1 1749703690 MZPIFWAKNPVNQE-QGZVFWFLSA-N 441.988 4.545 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2OC(C)C)C1 1749717262 IJVZDFDMTOPHKN-OAQYLSRUSA-N 438.597 4.547 30 10 IJEE Cc1cnc([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1751733562 HNEKNBISAMGQCO-MWTRTKDXSA-N 438.576 4.707 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760139973 VLQAMRHOJYIKLS-SFHVURJKSA-N 440.642 4.586 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCc2ccc(Cl)nc2C1 1760141853 JPRWTMRBLMWTQL-UHFFFAOYSA-N 449.986 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1760407449 DRFZFBYHFNQPGA-CTNGQTDRSA-N 444.583 4.910 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1760416339 ASBHTSDDCLFEPK-DHIUTWEWSA-N 437.632 4.690 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1nnc(C)s1 1760419567 VYLRFJDEFKUNCB-UHFFFAOYSA-N 433.585 4.884 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1760441715 RQUSXGVYVJSAPZ-QFIPXVFZSA-N 433.556 4.589 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCC[C@H]1C 1760491875 XNMDTSLFJAQHNI-QVKFZJNVSA-N 449.368 4.576 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H](F)c1ccc(Br)cc1 1760500875 XTSMIEBHCHVQPN-QGZVFWFLSA-N 439.373 4.688 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CCc3ccc(O)cc3)cc2C1 1762807674 AGNDNWJVOJLAPN-DLBZAZTESA-N 435.597 4.818 30 10 IJEE C[C@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)C1 1762821935 BBXCRQLYXJOUJI-NZQKXSOJSA-N 434.632 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cc(C)on1 1772523281 GHHZVWPKPSVMQP-RUZDIDTESA-N 433.556 4.707 30 10 IJEE CCCCCCCCCOc1cccnc1NC(=O)CCN1C(=O)c2ccccc2C1=O 1858750334 WUEHFVLOUPPMRL-UHFFFAOYSA-N 437.540 4.836 30 10 IJEE CCCCCCCCCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(=O)cc1O 1859577498 DCOJWVOSFDOADX-UHFFFAOYSA-N 439.478 4.827 30 10 IJEE CN1CCC(N(C(=O)c2cccc(C#N)c2)c2ccc(OCc3ccccc3)cc2)CC1 1859981126 UNDUSVMTEVRLSE-UHFFFAOYSA-N 425.532 4.878 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)N(CCCC)C[C@H]2CCCN3CCCC[C@@H]23)c1C 1860304282 DLIBHMGZGGLLCO-NOZRDPDXSA-N 428.665 4.902 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)c1C#N 1860666117 UKSRFFZRIJRKQB-ZDUSSCGKSA-N 431.508 4.686 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 1860734966 YBOKJSGUTGKROV-VQHVLOKHSA-N 445.559 4.942 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)CCc1ccc(Br)cc1 1861113603 NMAIAULRNOGNFG-HXUWFJFHSA-N 437.422 4.849 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C)cc1 1862412756 MYFTVVJINUYGRE-JOCHJYFZSA-N 442.506 4.583 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413882 MTIWUIVZCVLXQZ-JOCHJYFZSA-N 437.417 4.925 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862433032 SNYDDKQMNIFMDB-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1 1862489321 UWTSMFGFBBLZJO-XMMPIXPASA-N 443.499 4.536 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1 1862489373 VEPFOTFOLLVCSL-DEOSSOPVSA-N 443.499 4.802 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862518500 LMBMIQVWCINYDY-IVZQSRNASA-N 439.508 4.566 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(F)c1 1862545134 SUPFSOPZKUBACQ-HSZRJFAPSA-N 437.511 4.709 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1Br 1862553773 YGXUVJMTDUTDOQ-FQEVSTJZSA-N 440.337 4.926 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Br)cc1 1862600107 PJEUVXGIOIKQCZ-LJQANCHMSA-N 444.325 4.923 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cccc3ccccc23)cc1 1862620735 ZCYQVLDKPRKDIO-QHCPKHFHSA-N 429.516 4.708 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C(C)C)c1 1862644481 MASOLTRABVRZJR-OAQYLSRUSA-N 427.472 4.610 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862668635 DGNSWNKLOWCOIR-QKKBWIMNSA-N 438.480 4.801 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc2ccccc12 1862738300 YJWQPIXUOPQMTJ-JOCHJYFZSA-N 430.460 4.982 30 10 IJEE CCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 1867047056 FQOLZJOMGPYEFH-NRFANRHFSA-N 432.549 4.538 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCC[C@H](C)C1 1870478027 LDUOKRPFZFRVGY-NRFANRHFSA-N 434.621 4.771 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(N(C)C)cc2)cc1=O 1870837444 GMCMAMHOGYFUNL-UHFFFAOYSA-N 442.648 4.827 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495520 JOOMTTJYFASJDA-UHFFFAOYSA-N 428.584 4.681 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514096 NZNKAOFYILJYCW-UHFFFAOYSA-N 449.002 4.562 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871762549 FTQMDSRWUQJZDZ-QFIPXVFZSA-N 428.598 4.986 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872136491 IFGLHODVTJFEJP-OAQYLSRUSA-N 444.597 4.686 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CCCC 1872199370 AYGWCRFOWKWYHP-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 1872260981 UDXDCFYYXZANKN-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCCC 1872293263 ZMOWVSKDERAUJL-QHCPKHFHSA-N 449.661 4.648 30 10 IJEE Cc1sc(C2=C(N)N(c3ccccc3F)CC2=O)nc1-c1ccc(Br)cc1 1872726378 SZZHGDBKZPGSRZ-UHFFFAOYSA-N 444.329 4.737 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccccc2)C1=O 1873156350 CBAXBWVOVASJCA-UHFFFAOYSA-N 448.563 4.703 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCCCOC(C)C)ncnc21 1873628589 JLWVGVAUBZQMEO-UHFFFAOYSA-N 445.926 4.889 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(O)c4)ccc3C2=O)c2ccccc21 1873858812 NUFDHOXISDYKON-MYKKPKGFSA-N 440.455 4.518 30 10 IJEE CC(C)(C)N1C[C@@H](c2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)CC1=O 1874277869 DYNZABHUZNYVKA-WATSXHCISA-N 447.608 4.610 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)cc2)cc1C 1874452220 KBSXWPATJQHVQF-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(O)c2)cc1 1874454611 PNHKXOLIWMHBGU-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccs1 1874481542 ATTISLHNCZFSMY-WSDLNYQXSA-N 427.599 4.867 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(C#N)cc1 1890861402 HATVUGIAWKEALG-PMACEKPBSA-N 447.482 4.609 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1938190005 AUVXMTMWNDUMPA-CABCVRRESA-N 437.503 4.865 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983945441 XTUVORCUBYPQQB-QYZOEREBSA-N 428.495 4.665 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](CC#N)C1 1985178862 MDSHXQQCNGCYNL-LLBQEJIASA-N 445.563 4.748 30 10 IJEE CC#CCCCC[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2019511693 XZPIZRYXEBBEAC-BVAGGSTKSA-N 427.633 4.718 30 10 IJEE C#CC[C@@H](C[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076090220 AOCOTSRDVZDWQJ-ZEQRLZLVSA-N 439.644 4.574 30 10 IJEE COc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c(C#N)cnc23)c(Br)c1 2081423138 YUJDVSSPUZFHJB-UHFFFAOYSA-N 431.599 4.711 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)C1(CNC(=O)OC(C)(C)C)CCCC1 2118200228 BZYUWADGVGTOJE-UHFFFAOYSA-N 426.330 4.734 30 10 IJEE Cc1ccc(CN2CCCC[C@H](N(C)Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2169150465 LKVCGGNGXUUWHD-VWLOTQADSA-N 448.460 4.781 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(Br)cc2C#N)CC[C@@H]1C(F)(F)F 2174812643 NGEISKFIVWXUBS-KBPBESRZSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 2174814185 FMVWWOVTMMCWCE-KXBFYZLASA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)C2(CCCC2)C1 2179884590 VELAEGOUJZBLCN-UHFFFAOYSA-N 438.341 4.830 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cccc2c1CCCN2C(=O)OC(C)(C)C 2180922553 OBRAAQVMFGPCJI-UHFFFAOYSA-N 435.362 4.911 30 10 IJEE Cc1ccnc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2190478357 LHPHSIRTOFFZBT-CWBXHPNXSA-N 448.416 4.509 30 10 IJEE N#Cc1cc(F)c(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Br 2193226777 YZYVNYOUVVHZQP-RDTXWAMCSA-N 442.254 4.935 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)c(C)c1Br 2221899305 ITOKYWFBTNPFAF-CYBMUJFWSA-N 431.396 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@H](N)C#Cc2ccccc2Br)CC1 2235729149 MOFCSWJZVZNDTR-GOSISDBHSA-N 439.369 4.505 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@H](O)C#Cc1ccccc1Br 2235740134 MUVDIADYEQYMCT-UYAOXDASSA-N 436.390 4.883 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](C#N)CC12CC2 2245102951 GRDZXSHZVANNNZ-SFHVURJKSA-N 443.547 4.598 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3CN(Cc4ccccc4)CC4(CCC4)C3)CCC2)OC1(C)C 2266999225 LMQIPUIDIDQXNO-NRFANRHFSA-N 438.421 4.564 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](N)C#Cc1cccc(Br)c1 2278802586 QXTCQONVJZYCTM-IAGOWNOFSA-N 441.435 4.553 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)c(OC)c2)C1 2281506429 UHOXNTSIKXHGJM-SFHVURJKSA-N 439.394 4.969 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)C#Cc3cccc(Br)c3)C2)C1 2296216890 ORAINROSJYJQSC-UHFFFAOYSA-N 432.358 4.797 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@@H](O)C#Cc2cccc(Br)c2)c1 2296217289 SNMFYVRGJYRMAI-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@H](O)C#Cc1cccc(Br)c1)c1ccccc1 2296224235 IDIMLIFDRUCZFI-UXHICEINSA-N 430.342 4.818 30 10 IJEE C[C@H](C[C@@H](N)C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296282095 SFOIGMBMNFMGPB-POAQFYNOSA-N 435.406 4.801 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2297745674 VZAMJRPSGDWCKU-NRFANRHFSA-N 432.407 4.669 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(C(C)C)cc1 2320955879 QCAFFRRTFJONLY-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(C24C[C@H]5C[C@@H](CC(O)(C5)C2)C4)CO3)C1=O 2322226485 UHPHHWIASDGQBH-YEQUHKRTSA-N 443.543 4.847 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1ccccc1OC 2322477318 ADGONHRSHKDXMU-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2324186289 SRTVZAZXNSNIAI-UHFFFAOYSA-N 434.423 4.956 30 10 IJEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccccc2)cc(Br)c1O 2326211860 UJWWQAFTTOKMHR-UHFFFAOYSA-N 447.358 4.628 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(OC)c(O)c(OC)c1 2326442574 FHVOTBPOWJQLQS-UHFFFAOYSA-N 440.569 4.745 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1cn(C)c2ccccc12 2326458418 TWTMBODFFADCHU-UHFFFAOYSA-N 447.564 4.908 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc3c(c2)OCCO3)cc1 2327352027 YXTQKZPALKBVAI-UHFFFAOYSA-N 438.553 4.575 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)c1 2328082154 IFHLTIAEGBBTNJ-UNMCSNQZSA-N 441.959 4.652 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)c1 2328647834 CEYZXIHRLUOFQY-UHFFFAOYSA-N 431.565 4.617 30 10 IJEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1cccc(Br)c1 2329207694 VEMPSQAPYBLFRB-UHFFFAOYSA-N 443.370 4.822 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(OC)ccc3OC)cc2)cc1 2330951966 HADNQFAGUHQKIJ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(Cl)cc2)o1 2331201897 DOWXGHACEKFYDD-UHFFFAOYSA-N 442.884 4.746 30 10 IJEE CCCCc1nnc(SCCO)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331353955 REZOZOKLIPAVII-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCCCO)cc1OC 2331468520 UKCFCEKCZZOZDB-UHFFFAOYSA-N 448.633 4.801 30 10 IJEE COc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331519593 YNNGVEHYWTVVTC-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C=C1CC(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)(NC(=O)OC(C)(C)C)C1 2339602122 GHTXAJJJDIPTHX-VAWYXSNFSA-N 442.365 4.719 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339602250 HXEXFRSNQBXDTE-CCEZHUSRSA-N 443.397 4.974 30 10 IJEE Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3cc(C)ccc3C)c3ccccc32)c1 3041513 TZMGHFGRKIHSDZ-VYIQYICTSA-N 428.561 4.849 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 20881893 BRZCCUXANSYOHR-YJBOKZPZSA-N 440.337 4.770 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1OC 21226965 PNBQMJARPHVQIZ-WMZOPIPTSA-N 425.912 4.752 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 34954455 WIHNZZZDGLUADT-XYOKQWHBSA-N 433.416 4.727 30 10 IJEE C=CCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1ccc(C)cc1 36032050 YABKDRZSLCCAPU-UHFFFAOYSA-N 438.549 4.876 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1nccs1 101128140 YMZPLTFZWKXULL-XKOOYEHJSA-N 426.479 4.935 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 102710117 UZSBBXWOGWIEFH-GOBJLOIFSA-N 438.867 4.661 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(O)cc2)c1C 169960937 XWBMWSSHXPBBPC-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973203 AMNXLRAKLQOAJZ-NRFANRHFSA-N 427.435 4.793 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 170068841 IOAKXFXFQQOZHG-SFHVURJKSA-N 438.282 4.666 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(C)o2)cc1 170101501 UBYHMZCNISMOTL-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)c1 170155694 VKHKIOCDYVFTQX-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)cc1 170169159 NPYCKNZMORDQME-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1 170174131 PIAQSWODAOIVSO-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)c1 170183209 FXAPWYUWHGCJSO-LJQANCHMSA-N 440.908 4.584 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)c1 170187561 PGJGENNJNYQZGZ-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)cc1Cl 170199238 QBZZLCGAHHXMQX-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170208767 SHACWNNBYHRUPV-LJQANCHMSA-N 440.286 4.562 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccccc1 170227869 ICANDYARCYFBDT-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305969 DWUOWNJBQMGEBN-NRFANRHFSA-N 437.398 4.584 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(OC)c2)c1 170329482 YVFYHEMPJIYMLP-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccs2)ccc1O 170414473 JEDAGCCFTQNRLF-NRFANRHFSA-N 435.501 4.631 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 252637230 XQIWUACARSMTOD-NVTBELRMSA-N 432.299 4.981 30 10 IJEE CCc1cccc(C)c1NC(=S)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254484251 FWLAURAEYIQIQP-UHFFFAOYSA-N 428.561 4.795 30 10 IJEE CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C(C)c1ccc2ccccc2c1 263628256 AQEHEEXNZDDRJL-UHFFFAOYSA-N 440.525 4.615 30 10 IJEE Cc1cccc([C@H](C#N)C(=O)c2cc(Br)ccc2I)c1 300477260 OZKCOEJLEYDRAL-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 406718693 SLPSOONWSRUBKM-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1)c1ccccc1 448061744 XUPMUNYHGJYVIY-JOCHJYFZSA-N 438.547 4.713 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 508904356 SYBMESLIQBTOQU-MJGOQNOKSA-N 426.952 4.604 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)c(Cl)c2)c1 526490813 ZIZBSLZWFVOSPP-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE COc1ccc(C)cc1NC1=C(SCc2ccco2)C(=O)N(c2ccccc2C#N)C1=O 526647564 UXCYSRAVZOXCHL-UHFFFAOYSA-N 445.500 4.599 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2nccs2)C1 549270670 JGCPMGRBFYHPGZ-AZUAARDMSA-N 439.585 4.645 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 549563295 NVNALKJDGIDQGX-UHFFFAOYSA-N 447.608 4.952 30 10 IJEE COc1ccc(Cl)cc1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 561058119 FJYFCPJSDKHNFQ-UHFFFAOYSA-N 432.351 4.797 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)NCc3ccc(C)cc3)C2)c1 585932868 KXMGHPYHMPZWHL-DEOSSOPVSA-N 448.611 4.937 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)ccc1C#N 687753612 UTZHQOPDCUOIAO-SANMLTNESA-N 444.462 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 698840015 QEEKCSRCQUIQCE-LIRRHRJNSA-N 435.487 4.858 30 10 IJEE Cn1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1Cl 712471063 ZXRULPIVTMDYAZ-AWEZNQCLSA-N 425.714 4.842 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(CC)cc1 733202746 WUPBLILVTXIANC-JOCHJYFZSA-N 433.577 4.849 30 10 IJEE C[C@@H](ON=C(N)c1cccnc1Oc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 741753524 CCKVWKYUZCGETI-CQSZACIVSA-N 435.871 4.975 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1C 742214663 HYIXIUAZVRKSOX-OAQYLSRUSA-N 437.540 4.816 30 10 IJEE CC[C@@H](C#N)Oc1cc(CN[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)ccc1OC 763262084 LUAPHWVLLWCJIN-PXNSSMCTSA-N 437.323 4.687 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CO[C@H](C)c1nccn1C)c1ccc(C)c(C)c1 808015673 OAFCAHGGELVCTC-OAQYLSRUSA-N 433.552 4.913 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](c2ccc(C)cc2)C[C@H]1C 809895502 WFFGGHNGHJDYBX-NFBKMPQASA-N 445.567 4.581 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(Cl)cc1 810473122 DVCYHSDPTSCAKT-FQEVSTJZSA-N 443.890 4.501 30 10 IJEE C=C(C)[C@@H](CC(=O)NCCN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O)OCC 1124350874 USSXZPSQYOVRSJ-HZQOKBKYSA-N 444.597 4.508 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(CCc3ccccc3)Cc3ccc(C)s3)cc2C1=O 1124545639 KDCFFMNFOCPMNA-UHFFFAOYSA-N 444.556 4.724 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c1 1125772910 FXOUKHQPRLULFI-UHFFFAOYSA-N 435.527 4.881 30 10 IJEE C#CCN(C(=O)c1ccc(C(C)=O)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1126230940 JOJTZWUMDZTDIU-HXUWFJFHSA-N 426.310 4.559 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 1126242020 NWHKVXPTAYZSTN-NRFANRHFSA-N 448.563 4.573 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1cc(F)ccc1SCC(F)F 1126444111 GDDJXJHMBQMNTK-UHFFFAOYSA-N 445.260 4.835 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 1136705724 YSLXHTWZBMIKRM-JOCHJYFZSA-N 429.605 4.789 30 10 IJEE C#CCCCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1140050580 RXDCPXORYGOVTM-AREMUKBSSA-N 438.527 4.796 30 10 IJEE C=CCn1c(SCC(=O)NCc2cnccc2C)nnc1-c1ccc(Cl)cc1Cl 1141277266 UZQTVNUQIDUMRI-UHFFFAOYSA-N 448.379 4.550 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 1157606439 PWALTPAUMKYBRX-UHFFFAOYSA-N 445.441 4.650 30 10 IJEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2C)CC1 1177321624 KXANWNOPMVLGGL-UHFFFAOYSA-N 442.581 4.671 30 10 IJEE C#CCC1(NCC(=O)N(Cc2ccccc2)c2nc3c(C)c(C)ccc3s2)CCOCC1 1197921498 VBUSENAQLBPBCX-UHFFFAOYSA-N 447.604 4.608 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CC2(CCOCC2)Oc2ccccc21 1203471378 NXENZNPNAYRXAO-HXUWFJFHSA-N 442.353 4.624 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1ccc(I)cc1Br 1215591588 YLBBXCGFFWQAHM-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 1219084359 JSJRMEVQVKBKIR-LJQANCHMSA-N 435.293 4.758 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1230567029 ZPAOVXBULNTEBE-XJUOHMSHSA-N 441.934 4.593 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 1246899510 QPJJUEFRIZYHNT-YADARESESA-N 448.567 4.688 30 10 IJEE C=C1CCC(CNC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 1255135579 XBTKVGCDTATBCU-UHFFFAOYSA-N 434.378 4.556 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cn2c(-c3ccccc3)c(C)sc2=O)cc1 1269750418 PRGUXSUHMWUSOO-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCCCO1 1286306432 UZSMDVKINVRAAH-RDJZCZTQSA-N 437.371 4.581 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccco1)N(CC)CC 1286440079 MMXUUABIOUPKOK-QHCPKHFHSA-N 442.567 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)NC1CCCCC1 1286569795 ZTZBBIZJSRCTDU-UHFFFAOYSA-N 447.986 4.979 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1nc2cccc(Cl)c2n1C 1286577811 BFTMIUUSGMAJBB-SFHVURJKSA-N 428.968 4.511 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286676408 KNZMETYHXNIJKS-IBGZPJMESA-N 442.579 4.730 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCCCC2)CC1 1286708152 AJKOZSMEQQUPCZ-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1286733163 SHLAYDNBIFLCRO-OAHLLOKOSA-N 431.968 4.667 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1286835307 UHUKCZKIMUQKMM-KRWDZBQOSA-N 440.535 4.863 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 1292091303 AFLNRRSWCRSBEN-UHFFFAOYSA-N 444.535 4.752 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@@H]1CC 1300273453 FLEMTDODMFNJKK-ZJOUEHCJSA-N 444.023 4.794 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CCOCC)CCC1 1300286597 LCPWXPFRCZGJGM-QGZVFWFLSA-N 430.980 4.662 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1300372677 JYEHYMKVQHXDQD-HXUWFJFHSA-N 430.980 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1ccccn1 1300513484 WSIIJHJEYMKSOA-UHFFFAOYSA-N 431.952 4.524 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCc1nc(C(C)(C)C)cs1 1300516450 PBAVVBNROPVXJZ-UHFFFAOYSA-N 443.576 4.761 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1300843395 AUXKYMBFBPSHFG-CABCVRRESA-N 442.361 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CC=CCC1 1300873557 HHZGBUIDOMVOSP-LMNJBCLMSA-N 427.980 4.767 30 10 IJEE C=C(C)Cn1c(N(CC)Cc2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300965518 RWDOUSRUXRMWGN-BGYRXZFFSA-N 425.577 4.651 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)OC(C)(C)O2 1301170433 VPESCIWRPVKZCD-HXUWFJFHSA-N 440.588 4.910 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301190115 MVHYVFLCOLCAAK-UHFFFAOYSA-N 438.551 4.614 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1Cc1csc([C@@H](C)OC)n1)C1CC1 1301321100 VXCXYPXNVSTOBZ-CQSZACIVSA-N 429.977 4.966 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@H](F)C1 1301338486 ZOGJOCNAKKDCAK-SFTDATJTSA-N 435.547 4.603 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Oc2ccc(Cl)cn2)CC1 1308053896 BWUPJTGPCCBKHS-INIZCTEOSA-N 444.988 4.611 30 10 IJEE C#C[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1 1309530261 FFUFULLKGUFYDS-MRXNPFEDSA-N 433.154 4.550 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccccc1 1312936091 FXOVOHJQYCRGSW-NHCUHLMSSA-N 440.469 4.809 30 10 IJEE N#CCOc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 1318782622 WHDIMXPFMIJKGB-UHFFFAOYSA-N 442.450 4.739 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)C1 1320063223 DFDSYCZYTDEOGJ-AWEZNQCLSA-N 428.842 4.568 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)[C@H](CCOC)Cc1cccc(Br)c1 1350765800 OVSJQVWTYGXNSZ-GOSISDBHSA-N 433.342 4.987 30 10 IJEE C=CCc1cc(C(=O)Oc2cccc(C(=O)NCc3ccccc3)c2)cc(OC)c1OC 1351258521 HOAOEUYYMAMLCS-UHFFFAOYSA-N 431.488 4.582 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1351826379 JVINJRYJAXAHKY-LJQANCHMSA-N 432.973 4.813 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3c4ccc(OCC)cc4[C@@H](C)CC3(C)C)cc2C1=O 1352344114 MIFYIEQVGWAYFD-INIZCTEOSA-N 432.520 4.800 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)c1 1352428602 BATBWWARMOFHOB-IBGZPJMESA-N 432.520 4.763 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1357275416 QJWVXXDIAUNLEO-GOSISDBHSA-N 427.589 4.737 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](COCC)C1 1358906719 QGHNTLXDWLIPNR-RBUKOAKNSA-N 426.630 4.798 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1358931210 SDEDQBNXKCLDQU-LJQANCHMSA-N 445.405 4.621 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCCC1(C)C 1358939649 AUDVXSVANOGBGZ-JOCHJYFZSA-N 428.989 4.824 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1359131614 ZMPKUFSYQFPJSE-SFHVURJKSA-N 425.602 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1359188751 UJQBAXORLDOVPJ-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CCC)C1)c1ccccc1 1359195799 RWMQKKLXRVXKRR-BJKOFHAPSA-N 431.584 4.629 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359223841 XPUHTJFMSBLMFH-PKTZIBPZSA-N 438.616 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](c1cccs1)N(C)C 1359234623 VFJMISCEMQYWGJ-KRWDZBQOSA-N 446.418 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1359267056 TYFQIDNJMIWZSI-ATIYNZHBSA-N 449.599 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359272900 GRPVSJPSNHJVPN-SFTDATJTSA-N 439.623 4.943 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCC1(C)C 1359276219 VXVHVYMJPDSXNV-IBGZPJMESA-N 448.571 4.580 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359309014 FUWMFYMGGYBWSW-QFIPXVFZSA-N 436.556 4.711 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(C)(C)C 1359311323 XUSVUVWVRYLAEA-UHFFFAOYSA-N 444.583 4.612 30 10 IJEE CC(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 1359947326 HVXGUMMXTMGVNK-IBGZPJMESA-N 430.597 4.526 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1361189583 IGTBBMVLHGNMPN-LVXARBLLSA-N 441.616 4.686 30 10 IJEE Cc1c(C#N)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl 1436028121 CZFKOVKENPKHPS-NRFANRHFSA-N 439.943 4.954 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 1456305665 JGTFUKRZFMTDNU-HXUWFJFHSA-N 433.390 4.535 30 10 IJEE C=CC[C@]1(C(=O)OCc2cccc(OC)c2OC(F)F)CCCN1C(=O)OC(C)(C)C 1456768017 DHQHINMNLQLMNT-JOCHJYFZSA-N 441.471 4.686 30 10 IJEE Cc1onc(-c2cccc(Cl)c2)c1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1461242592 DSKGKZUZXKCCIX-UHFFFAOYSA-N 434.927 4.570 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c1 1465628595 PBCBCBRNGJUOKT-UHFFFAOYSA-N 430.483 4.706 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C)cc2)c(C#N)cn1CC 1466883369 HAZSNJBGSGFWFT-INIZCTEOSA-N 436.434 4.680 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 1467295135 GBPBLUVPHHESRX-BJKOFHAPSA-N 440.503 4.881 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 1470489945 VKFBFTZPPJXRMT-DQEYMECFSA-N 427.548 4.723 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1470490878 RJIJXCDQOXUWMS-GMAHTHKFSA-N 432.486 4.894 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2c(F)cccc2F)n(-c2cccc(F)c2)c1C 1473812182 DPVKVUOVGMSITN-CQSZACIVSA-N 426.442 4.672 30 10 IJEE Cc1cccc(C)c1CN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1473836526 CLMNVEFDKCQVTK-UHFFFAOYSA-N 432.543 4.851 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 1474868538 CUVIKLHNAYIWIT-SFHVURJKSA-N 428.451 4.885 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 1476728811 DCABJQLEKLIUHZ-ABAIWWIYSA-N 437.256 4.588 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1scnc1C 1507524103 URTYWGHHDXLZMI-HNNXBMFYSA-N 425.627 4.741 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C(C)(C)C1 1507591123 JKISQUJJAHCDON-WOJBJXKFSA-N 443.636 4.678 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1507783957 HKKGNBXVDDZTAJ-UHFFFAOYSA-N 443.389 4.944 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507798863 XKYLSTSZMXXAJD-BWPNAZKDSA-N 434.506 4.869 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1507812766 PQPNPHNQPRCDSK-NNMXDRDESA-N 428.552 4.941 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507842076 BUDFUZDWPDTWSH-CRAIPNDOSA-N 433.478 4.654 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1507899828 VTUITJKEFGIROQ-UQBPGWFLSA-N 425.596 4.997 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1507900051 DADGDGSYQSCIJO-UHFFFAOYSA-N 443.473 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCCC[C@H]2C1 1507912308 QBPGCNLUMQJTCN-IBGZPJMESA-N 445.558 4.823 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1507928831 MGJQDSBGLZWROE-CEWLAPEOSA-N 439.604 4.550 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1507939601 OUWCCFAUYMBITD-QGZVFWFLSA-N 428.577 4.810 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H]1C 1507959501 QACBXGURNWGFIV-ZIAGYGMSSA-N 425.396 4.597 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOC1CCCCCC1 1507970473 AHFUJSIFAMOGNX-UHFFFAOYSA-N 425.577 4.509 30 10 IJEE C=CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC[C@H](OC)C(F)(F)F)C1CC1 1507988778 VTRNXXPYJDJVJD-IBGZPJMESA-N 434.506 4.870 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)N[C@@H](C)c1ccccc1)C1CC1 1507994154 MRYHQONJMYKBGD-FQEVSTJZSA-N 430.600 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C1CC1)N(C)C 1508015467 XJAAGIQBYPZIHF-YLJYHZDGSA-N 425.646 4.650 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1nc2c(s1)C[C@H](C)CC2 1508039002 VGSZQHUHNUVHAZ-QGZVFWFLSA-N 437.613 4.522 30 10 IJEE C=CCN(C(=O)COc1cc(Cl)cc(Cl)c1)[C@H](Cc1ccccc1)C(=O)OCC 1522166523 MFDVKMBWAZPVCL-HXUWFJFHSA-N 436.335 4.561 30 10 IJEE O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)[C@H](F)c1ccc(C(F)(F)F)cc1 1523465575 HFESYMPGKFFRJJ-GOEBONIOSA-N 448.338 4.657 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cccc(-c3nnc(CCOC)o3)c2)C(C)(C)C)cc1 1523657122 LIUVBVYPVACPRI-UHFFFAOYSA-N 449.551 4.931 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 1526438471 AIISHCRNYLUNSQ-SANMLTNESA-N 432.539 4.877 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccc(Cl)cc1 1528474898 PMFZCGKUQFYJFU-QGZVFWFLSA-N 432.680 4.532 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2c(Cl)cccc2OCC2CC2)CC1 1529543156 FAETZWRLXQTYHJ-UHFFFAOYSA-N 425.916 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1539030791 UCYDISRHJWDVDL-KJJMTIBFSA-N 438.616 4.950 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1539246703 PRWSCRHULKHNKP-UPVQGACJSA-N 432.612 4.767 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCC(F)(F)CC1 1539403734 XAACIAXSBZELGV-UHFFFAOYSA-N 440.897 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1539615096 FQPZUUPYXNZLEK-RXVVDRJESA-N 430.618 4.750 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1C 1539623917 PDLCHVFHDVDBCD-RBBKRZOGSA-N 437.975 4.920 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@H]1C 1539712322 YFTFTBBPVXHMDG-GOSISDBHSA-N 432.996 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H]1CC 1539917391 CROYONBTLJJQMC-RBUKOAKNSA-N 448.615 4.902 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC)(CC)C1 1539981167 FKAFKCIHMLQKOI-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1539991070 DFQVZRVYNRQNRW-UHFFFAOYSA-N 445.615 4.768 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC2(CCCCC2)C1 1540020229 IDSSLYODIBIGNO-QHCPKHFHSA-N 438.616 4.952 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1540146554 HAPIPCQILRCJNE-WOJBJXKFSA-N 445.677 4.619 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC2CCCCC2)CC1 1540912003 JKIBNRLCZCEWEG-UHFFFAOYSA-N 443.636 4.706 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(OCCC)c(OCCC)c2)C1 1557240023 QOVCEGJPEDUXOW-FQEVSTJZSA-N 433.548 4.981 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)c1ccccc1 1558718396 GSTOSTONLRXWSP-SSEXGKCCSA-N 435.427 4.829 30 10 IJEE CN(Cc1c(OCc2ccccc2)ccc2ccccc12)S(=O)(=O)c1cncc(C#N)c1 1561969056 APXVNPVWTFQELN-UHFFFAOYSA-N 443.528 4.506 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C)[C@@H]1CCCc2ccccc21 1562319110 VSFWAPFZKUYKQD-XMMPIXPASA-N 447.604 4.729 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1 1562370827 QIOLXISMFOYFHY-UHFFFAOYSA-N 442.441 4.842 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccnn1Cc1ccc(OC)cc1OC)c1ccc(F)c(F)c1 1562675574 IILNBKJKDPQEGB-QFIPXVFZSA-N 442.466 4.666 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2nc(C)cc(C)n2)CC1)c1ccc(C(F)(F)F)cc1 1564406517 HJAVOJRMXSEOOS-HXUWFJFHSA-N 447.505 4.651 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)CN(C(=O)OC(C)(C)C)C1 1565636108 FBPVPQSSZWMIRM-UHFFFAOYSA-N 427.476 4.765 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 1568673397 KVWWFLMVBVNOTL-UONOGXRCSA-N 449.762 4.969 30 10 IJEE C=CC[C@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(Cl)c(Cl)c1 1585918906 HIVKIWKAWJRCRL-SFHVURJKSA-N 433.251 4.957 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1 1587786882 CBVRWBVURZJJGN-GOSISDBHSA-N 432.490 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCSC1 1588193279 AGUFAQPPVPLTEF-MOPGFXCFSA-N 438.666 4.738 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1(O)CCCCCC1 1588550864 ZVERDFLDKGJNQT-UHFFFAOYSA-N 426.580 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1589676533 YXQJRLCOEVPIJL-GOSISDBHSA-N 433.622 4.636 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1589715123 FAMIFHYPWVRASH-NRFANRHFSA-N 449.624 4.728 30 10 IJEE C=C(C)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1593616493 PUNZQZIKPKRGSU-IBGZPJMESA-N 432.355 4.744 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1OC 1593683712 PGWPGLRXAZYKHU-IBGZPJMESA-N 441.576 4.571 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1594247443 LLJFIHCJWUKUNP-VWLOTQADSA-N 444.627 4.749 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(C)CC1 1594567843 ROQXLVLFXBWVQB-UHFFFAOYSA-N 429.996 4.844 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1595070844 OWMRXRMXLMCWEC-XSWHYFMGSA-N 443.680 4.862 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCC[C@]2(C1)OCc1ccccc12)C(C)C 1595171097 QADXSLMLYYSLBR-SHQCIBLASA-N 449.643 4.565 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1595239745 RFIOVIOTCQSUMM-WXFUMESZSA-N 438.616 4.816 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccco1 1595854934 SGNNQKCGKYNTAK-SFHVURJKSA-N 440.569 4.816 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cnc1Br)c1ccc(Cl)cc1F 1597001623 FISWBWQJBJNLFG-CYBMUJFWSA-N 446.501 4.503 30 10 IJEE CC(C)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)CC1 1603260730 GAEGRSLZQJUKQD-UHFFFAOYSA-N 436.585 4.648 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(OC)ccc3OCC(F)(F)C(F)F)cc2n1 1611187868 GVUACGYNWDEGCO-UHFFFAOYSA-N 437.393 4.762 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2nc(C(C)(C)C)cs2)cc1 1612123754 IBIIUFKCAGFQLS-QGZVFWFLSA-N 438.601 4.564 30 10 IJEE C=CCN1/C(=N/c2c(C)n(C)n(-c3ccccc3)c2=O)S[C@H](C)[C@H]1c1ccc(OC)cc1 1614415121 ULEIPDQPNQABFA-BGPYGFFUSA-N 448.592 4.845 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)C(C)C 1617263921 LHBRUVFCHBVNTH-UHFFFAOYSA-N 426.495 4.770 30 10 IJEE C#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c(Cl)c1 1618186623 XREYVBDZUIHHFR-UHFFFAOYSA-N 446.934 4.974 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(F)cc(F)c2)c1 1621595470 ATWPBHGCELXUAE-UHFFFAOYSA-N 430.428 4.528 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1625181419 XWMHFHWJTKTVSJ-OAQYLSRUSA-N 442.478 4.889 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 1628397073 UGKLBQRJGUNGGY-DLBZAZTESA-N 426.344 4.924 30 10 IJEE N#CCCN(C(=O)c1cccc2c(Br)cccc12)c1ccc2c(c1)OCCO2 1632486523 FOOIPYPBDSVUEC-UHFFFAOYSA-N 437.293 4.934 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 1637862025 BLEUPRAPOAHMDR-KRWDZBQOSA-N 438.952 4.925 30 10 IJEE Cc1c(C(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)sc2ccc(C#N)cc12 1637914820 HRWAQIZNYNGMJH-RBUKOAKNSA-N 443.494 4.842 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1F 1638110066 VHVDAGCEUDPLFO-XHDPSFHLSA-N 449.748 4.801 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 1640122902 UVHADEKDXYOALO-SWLSCSKDSA-N 436.858 4.798 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1640641709 MATYVYLGQQKXJT-HNNXBMFYSA-N 432.542 4.802 30 10 IJEE C=CCn1c(SCc2ccc(F)cc2C(=O)OC)nc2sc3c(c2c1=O)CCCC3 1640692968 GSSHETWOKLIOHI-UHFFFAOYSA-N 444.553 4.741 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F 1643051562 FXYPCYUGXVBOQG-FUHWJXTLSA-N 428.907 4.534 30 10 IJEE C=CC[S@](=O)(=NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 1646625400 QGYBDVFMIZSCKZ-FEFAMSIDSA-N 432.586 4.794 30 10 IJEE C#CCN(C(=O)c1cc(C)cc(C)c1Br)C1CCN(C(=O)OC(C)(C)C)CC1 1649385399 SBVRFSARVNYELD-UHFFFAOYSA-N 449.389 4.541 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2COC3(CCCCCC3)O2)cc1OC 1650866358 MYWJSOXXORNOHJ-QGZVFWFLSA-N 440.378 4.578 30 10 IJEE C=CC[C@H](Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)C(=O)OC 1651610811 CFKXTWSSEDOUKP-INIZCTEOSA-N 435.336 4.846 30 10 IJEE C=C(C)Cn1c(S[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccncc1 1652707476 VBXVMYBRWXCEMQ-SFHVURJKSA-N 443.935 4.606 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@@H](Cc3ccc(F)cc3)C(=O)OCC)o2)cc1 1652714758 KPNPCYGGBOZLTH-IBGZPJMESA-N 428.485 4.707 30 10 IJEE N#Cc1cccc(NC(=O)CCN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 1654213842 DNRXFEZLPCLGCU-QFIPXVFZSA-N 449.352 4.618 30 10 IJEE C=CCOc1c(Br)cc(CNCC[C@H]2CC[C@H](C(F)(F)F)O2)cc1OC 1658573654 FUVUYQUGRNWFPR-CZUORRHYSA-N 438.284 4.612 30 10 IJEE CC[C@@H](CN(C)S(=O)(=O)CC1(C#N)CCCCC1)Oc1ccc(Cl)c(Cl)c1 1662827527 DNWMYZMXICZGDC-HNNXBMFYSA-N 433.401 4.886 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 1667558529 FQQDCZYELWYRQQ-MRXNPFEDSA-N 431.305 4.697 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccc(Cl)cc1F 1667767264 HDVGAPARMLFBLZ-HSZRJFAPSA-N 449.913 4.948 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 1669074152 YGKWIWBGGAHNDB-QFIPXVFZSA-N 438.568 4.966 30 10 IJEE CC(C)(C)Sc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1F 1672283061 APGYJISYKFTWHB-UHFFFAOYSA-N 443.548 4.807 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN(c2ccccc2F)C1 1678356477 WUSBIRSLYLVJNJ-HNNXBMFYSA-N 434.309 4.553 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1ccccc1 1680915920 ZTAHIMWDAAVZRA-RTBURBONSA-N 425.495 4.717 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)CC2)cc1 1681821242 DLQZGMUVUCDNBV-HXUWFJFHSA-N 440.469 4.655 30 10 IJEE C=CC[C@H](CC)NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1681887510 LOGDBPDTEFXGEK-FQEVSTJZSA-N 443.588 4.715 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)c1ccccc1 1684987968 BXNIPWHARPNXID-ZEQRLZLVSA-N 442.003 4.798 30 10 IJEE C#C[C@@H](NC(=O)NCCc1csc(-c2ccccc2)n1)c1ccc(Br)cc1 1685572788 TXRSQPIQVILTDZ-LJQANCHMSA-N 440.366 4.789 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)C1 1686807930 OEGZXWYQSAXWPU-OAQYLSRUSA-N 443.588 4.580 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCCN1CCCC 1689951193 OEMKIEZFCBMTAT-CTNGQTDRSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1Cc1c(C)coc1C 1690196119 ZABMROBPHLWIJG-JOCHJYFZSA-N 439.357 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN(C)CCCC)CC1 1690368772 LTMUCBBDJNKEQO-UHFFFAOYSA-N 446.437 4.904 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690430885 VZUHOUACEHFPDH-UXHICEINSA-N 441.595 4.629 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccccc1F 1690460518 JTXJVTVYWJHEPM-UHFFFAOYSA-N 425.508 4.528 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CCc1nc(C)c(C)s1 1690565262 FMVPNANKJTVDSK-UHFFFAOYSA-N 444.608 4.773 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)c2ncc(C)s2)C1 1690694941 YAEZBNQGYLPZTO-RDJZCZTQSA-N 444.004 4.948 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1690737669 SPPQCUDSFAUDIJ-NRFANRHFSA-N 431.993 4.656 30 10 IJEE CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1Br 1695703464 GHVJHBMYPFTGAW-UHFFFAOYSA-N 442.386 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](CC(C)C)N(C)C 1705503528 XXTJQNCJEVPNMT-RBBKRZOGSA-N 439.648 4.589 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C/C=C\c1ccccc1 1705506099 QWDCDTWZXLYOKU-JWOULZKMSA-N 435.572 4.521 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC1(COC)CCCC1 1705544261 KBJQXZWUMFQIRW-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)cc1OC 1705699752 LKHZCLHNPZXJAI-NFBKMPQASA-N 440.588 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1705708499 CUPCKTPBDNVGPL-ZQAYVECASA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C1CCCCC1 1705721050 XLQHHOGJKDZTHZ-DNRQZRRGSA-N 432.653 4.930 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCSC2)CC1 1705762594 CXCQXCGXZNAJCC-RTBURBONSA-N 428.602 4.726 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1705770681 PZWGSVWYNMIUCC-NRFANRHFSA-N 443.636 4.814 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](OC)C2CC2)CC1 1705777944 UUCGSEDJNKKVGB-IBGZPJMESA-N 431.378 4.535 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705813763 SMEPXLDGDPZRHY-SFHVURJKSA-N 444.023 4.943 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1705839255 UCLAYPHKUCROKU-VGOFRKELSA-N 446.437 4.840 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CC1CCN(c2ccncc2)CC1 1705879363 WFYUXZJYQQTPQF-UHFFFAOYSA-N 448.615 4.715 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CC(C)C)C(C)C 1705895999 ZMZOTWLEGIKHKO-UHFFFAOYSA-N 446.020 4.986 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1706733833 AAIGXFZOTJKXJI-XLIONFOSSA-N 430.512 4.503 30 10 IJEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)C1CCCC1 1722314597 PNRVGUAYMWNZOV-UHFFFAOYSA-N 446.599 4.637 30 10 IJEE C#CCCCCn1c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1722322702 OSAWGKTXIAIFEO-NRFANRHFSA-N 429.008 4.983 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](F)COC 1722469389 BBTFENSKEVLCEX-WZONZLPQSA-N 442.535 4.789 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCCCc1ccccc1 1722497524 XFXMJDIISFCNRR-ISKFKSNPSA-N 431.584 4.780 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1722617268 HVFXLOIXIYEVJH-WIOPSUGQSA-N 444.627 4.719 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(OC)nc1)C1CC1 1722647166 PZUSYWOZHZGYLN-MRXNPFEDSA-N 439.947 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1(COC)CCCCC1 1722658710 KDSIDLYVNIOLPC-HSZRJFAPSA-N 438.616 4.962 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCC1(OC)CCC1 1722660508 XDOXVWGHRPEWRK-OAQYLSRUSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCc1cccnc1 1722660652 BIURYEOCTJOGJR-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCc2ccccc2C1 1722675021 INDBVMRVCFUSFS-OAQYLSRUSA-N 447.627 4.851 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1740593625 LFUOMCPPWQRTIP-UHFFFAOYSA-N 436.425 4.665 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCC)C1 1740741233 HQJNGWZZPMDOIA-AWEZNQCLSA-N 425.758 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](CC)N1CCCC1 1740769180 SVRQGTAERWXMHT-NRFANRHFSA-N 433.604 4.612 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740783411 FIKALBBRXOAECM-NRFANRHFSA-N 435.547 4.611 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1740789402 KPVLVAAOYINQSV-NRFANRHFSA-N 448.970 4.726 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1740789589 HCSPVLWFQCZWAI-FPOVZHCZSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)CC1 1740836969 UXXWVLRFLGGDGV-QHCPKHFHSA-N 448.970 4.562 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1740840978 OGDDYWNSFXWZSX-MHZLTWQESA-N 448.611 4.973 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1740855663 NQXQUQWKMOMXJB-HSZRJFAPSA-N 443.599 4.630 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1740861391 LIDKCFVKSOOJRI-UHFFFAOYSA-N 445.567 4.810 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCC(F)(F)C1 1740939255 SYEGREGBCGDLNO-QGZVFWFLSA-N 448.514 4.528 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740945075 BWYDMJSZRLHNAX-NVXWUHKLSA-N 438.494 4.953 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCSC1 1742046557 CRLPTCWTWJFWSH-WBVHZDCISA-N 438.626 4.869 30 10 IJEE Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)cs1 1742595865 ANWCQEODIIBNIK-MAUKXSAKSA-N 438.601 4.638 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OC)CCCCC1 1748650595 ANUQTGZDPGBHGE-ZWKOTPCHSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1748697865 AHGXZWNITLKLND-GMAHTHKFSA-N 446.599 4.913 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1748701663 NPZZERULGRGTLJ-FYYLOGMGSA-N 430.600 4.871 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCCN(C2CCCC2)CC1 1748708739 DRHOZXNTABBVMQ-UHFFFAOYSA-N 426.008 4.857 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)cc1C(F)(F)F 1748916910 IXHUOZURGMVUTF-UHFFFAOYSA-N 449.864 4.529 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)c1cccs1 1748958699 GKGMPNRLEZRGKQ-UHFFFAOYSA-N 447.608 4.562 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)c1ccco1 1749029289 QJVUDWIQKLVJCC-HNNXBMFYSA-N 445.386 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCC1CCOCC1 1749078961 VQQKFQVJEJFORZ-XMMPIXPASA-N 442.991 4.709 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1749147563 LFXYFEKTJXFGHD-IBGZPJMESA-N 432.515 4.800 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCCCC2)C1 1749216873 VGDYPRTVZNYQRU-UHFFFAOYSA-N 425.533 4.607 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749460504 BVEUXOLTFKZCTB-BIRZXAFVSA-N 430.637 4.804 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC(F)(F)C1 1751091305 GWCHCVPFCPLGOA-UONOGXRCSA-N 425.430 4.720 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1c(C)coc1C 1760123394 FFCNTIMMJXFQMG-CQSZACIVSA-N 433.339 4.880 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1ccsc1 1760207485 LFXPWSOHLSCMGS-UHFFFAOYSA-N 432.593 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1(F)CCC1 1760213771 QHHMRZZMUWDRRM-UHFFFAOYSA-N 443.364 4.761 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCC[C@@H]1CC 1760216323 JJCZZBNUZZEOKM-UNMCSNQZSA-N 427.552 4.889 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@@H](C)Cc1cccs1 1760223887 PNEIYNHFBQOTAQ-NRFANRHFSA-N 432.593 4.569 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCO[C@H]1C(C)C 1760336863 KNNRXWOEWXZOET-VJBMBRPKSA-N 440.588 4.644 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](SC)C(C)(C)C 1760337654 UVSICGHEPWPGRK-UXHICEINSA-N 430.618 4.971 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCC(C)CC1 1760345789 UKKVWOQOXVRGCO-UHFFFAOYSA-N 431.625 4.984 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CCCC2)C1 1760446857 FONIZRAYKHUMIM-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)C2(CCC2)C1 1760447039 INCWWLPLWAFBED-INIZCTEOSA-N 448.409 4.645 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H](C)C#N 1764143377 CQKBMNIUCLABHZ-PKOBYXMFSA-N 447.002 4.988 30 10 IJEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)C[C@H]1C 1766986701 HONDLRSGTNWMKA-MOPGFXCFSA-N 448.640 4.775 30 10 IJEE CO[C@@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1)C1CC1 1769539106 BUKBVIMEARVNBS-QFIPXVFZSA-N 447.505 4.801 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 1862379736 JLCLKJJLKCHEPE-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2F)c1 1862491018 JSFFECSPICODOP-JOCHJYFZSA-N 434.442 4.755 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2F)cc1 1862534404 RIUCVJNCVPKLTD-QFIPXVFZSA-N 434.442 4.701 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2)cc1OC 1862575626 BCGYRESOAQBMKL-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(N(C)C)cc1 1862583161 VBKNTELZMZYRFW-LJQANCHMSA-N 431.319 4.824 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 1862626029 SHTYXVLJUVLAFN-JPEVHGAISA-N 437.467 4.711 30 10 IJEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc(Cl)cc1 1870147080 WOLOSGRDFLVMGC-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC)cn1C[C@H](O)c1ccc(Cl)cc1 1870665988 SBHWMJHAHKNCAF-QHCPKHFHSA-N 430.976 4.588 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2c(c1)OCO2 1871252322 VOSRXAQNSLBPDZ-UHFFFAOYSA-N 445.519 4.686 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCOc2ccccc2)CO3)C1=O 1871346606 NRGRHXFDXXLICM-XYGWBWBKSA-N 443.499 4.932 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871432312 DDCDIZZPHTVOQJ-CFRMEGHHSA-N 427.456 4.831 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872070379 TVYHOJBZXRIGNL-OAQYLSRUSA-N 432.561 4.653 30 10 IJEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1[N+](=O)[O-] 1872787265 FQCOUHPRAGLYQI-NSHDSACASA-N 432.914 4.989 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc2n1CCOC 1873589850 SKNITIBSKISALH-BGYRXZFFSA-N 443.636 4.650 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(-c3ccccc3C)cc1)n2CCOC 1873614751 BAHHVRIMEBEZND-UHFFFAOYSA-N 441.535 4.903 30 10 IJEE COc1cc2c(c3oc(=O)c(CCC(=O)Nc4ccccc4C#N)c(C)c13)CCC(C)(C)O2 1873868971 YTLUUQSRRVTRGT-UHFFFAOYSA-N 446.503 4.657 30 10 IJEE COc1ccc(CCc2nnc(SC)n2/N=C/c2cccc3ccccc23)cc1OC 1874218601 UDUYKGAEBPDBHZ-PCLIKHOPSA-N 432.549 4.838 30 10 IJEE Cc1ccsc1/C=N/n1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCCCO 1874244789 KZNMAAGWRMTHKO-OEAKJJBVSA-N 430.643 4.764 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)cc1 1874301834 SSUNEIQXHGKOKN-JVWAILMASA-N 447.539 4.976 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)cc1 1874460899 LRGUALSWOLZMCG-LSFURLLWSA-N 425.367 4.519 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccc(F)c1 1874479150 LFEPBTYSNRUIEH-ZMOGYAJESA-N 436.516 4.583 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(F)c2)c(C)c1 1874514764 JUFOIQBBJROVRM-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE CCCOC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1874616540 GLZYYDAVCBQTGW-JXMROGBWSA-N 447.325 4.994 30 10 IJEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1875082853 PXEBFWPZMVAJNM-RIYZIHGNSA-N 446.499 4.827 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)CC1)c1ncccc1C#N 1891205953 PSNPKZRUHNLEBJ-UHFFFAOYSA-N 428.511 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC 1922074895 RILFZHLDXSQJRD-FXSPECFOSA-N 446.632 4.526 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@H]1C1CC1 2018418047 LWRZETFUJQECRI-YWZLYKJASA-N 447.498 4.858 30 10 IJEE COc1ccc(-c2nc(NC(=O)C=Cc3ccc(OCC#N)c(OC)c3)sc2C)cc1 2040436244 JCLUWXNMXGMWMD-UHFFFAOYSA-N 435.505 4.690 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(F)(F)F)c(/C=N/O)c2I)cc1C 2079005874 RJTWYUCIZUSOGV-LGSFHTRGSA-N 437.203 4.541 30 10 IJEE Cc1ccc([C@H](n2nc(C(F)F)c(/C=N/O)c2I)C2(C)CC2)cc1 2079060818 NLHXKQYVGCOYKL-SLSPDHCBSA-N 445.251 4.931 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2124522663 WDOZGVNWGBCSAO-HNNXBMFYSA-N 448.344 4.871 30 10 IJEE CCC[C@]1(CNc2ncc(Br)cc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162415373 OLZTVTYAWKZQPJ-HXUWFJFHSA-N 437.382 4.945 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(c3cc(Br)cc(C#N)c3)C2)C1 2174813563 XVRMAUZSPBKHMY-MRXNPFEDSA-N 434.378 4.794 30 10 IJEE CC(C)(C)OC(=O)NC1(CCC(=O)Nc2ccc(C#N)c(Br)c2)CCCC1 2181103464 OKNRWFACYHOBBT-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE CC(C)N[C@@](C#N)(COc1ccc(OCc2ccccc2)cc1)C1(Br)CC1 2206668462 RWSPPBZTYNBMAS-QFIPXVFZSA-N 429.358 4.832 30 10 IJEE C=C([C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221680935 JDYNVDDRJVYRDI-IAGOWNOFSA-N 427.459 4.646 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2235731457 QLXJUXOFRHKPOD-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC(=O)C#Cc2ccccc2Br)C12CCC2 2235732136 YBMDWCVNRGWKOS-VQIMIIECSA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2ccccc2Br)c2ccccc21 2235747275 OPTSRWSCRGDBTO-PKOBYXMFSA-N 427.342 4.667 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)C2CCC2)c(C)c1B1OC(C)(C)C(C)(C)O1 2247802760 WLPQRXGXKRCJEN-UHFFFAOYSA-N 425.403 4.859 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2262206225 NYGNXXTWLQUIQP-PXDATVDWSA-N 447.572 4.655 30 10 IJEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2267013179 GLLYBFYVISHMIW-FQEVSTJZSA-N 438.421 4.884 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CCCCC1 2267100159 QYMZCUMMJIMQOH-UHFFFAOYSA-N 440.437 4.810 30 10 IJEE CC1(C)OB(c2ccc(F)cc2C(=O)N(Cc2ccccc2)c2ccccc2)OC1(C)C 2267402933 GQGINRLYWMWPCK-UHFFFAOYSA-N 431.316 4.972 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCN)c1cc(Br)ccc1OC(F)F 2293330109 OIOAPEXAKUPSCW-IBGZPJMESA-N 442.300 4.840 30 10 IJEE NCCO[C@@]1(C#Cc2ccccc2Br)CCCC[C@H]1OCc1ccccc1 2293867958 NJRBKJQBJZCTRF-DHIUTWEWSA-N 428.370 4.674 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(Br)c(O[C@@H](C)CC)c(OCC)c2)C1=O 2293983454 BAVIPSDRFBXEAC-LBPRGKRZSA-N 438.343 4.695 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@@H](O)C#Cc2cccc(Br)c2)C1 2296217621 WTIIGWXMFWBBHZ-JLMWRMLUSA-N 434.374 4.589 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296219244 MFYGEBFNPOYUKG-OALUTQOASA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](N)C#Cc3ccc(Br)cc3)CCCC[C@@H]12 2296293311 ICKTXISUWRSJPE-JQVVWYNYSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C 2296311567 YLABCRCHZDPROO-FFZOFVMBSA-N 435.406 4.814 30 10 IJEE C=CCOc1c(Cl)cc(C=C2N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OC 2297327925 XBCBKLVTQGKFLU-UHFFFAOYSA-N 449.246 4.820 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)c2ccc3c(c2)OCO3)c(OC)c1 2314430259 ZUPONFHCECPLFC-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CSC1(C#CC(=O)c2ccc(I)c(Br)c2)CCC1 2314699712 MDDSUZPJKGXGLF-UHFFFAOYSA-N 435.124 4.526 30 10 IJEE C=C(Br)CCN1CC[C@@H](CCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2315911096 BYFSSOSSTPCDGM-KGLIPLIRSA-N 429.321 4.843 30 10 IJEE CC(C)(C)OC(=O)NCCC(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317347611 AHUYHNXJSACXHV-UHFFFAOYSA-N 432.370 4.798 30 10 IJEE CCCOc1cccc(C=Nn2c(C)nnc2SCC(=O)Nc2cccc(C)c2C)c1 2321086103 QHNSSIMVQMFQBE-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2321511141 LCCWWNQIGGEHOX-RBUKOAKNSA-N 445.560 4.655 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)NCc3ccccc3)c2)cc1C 2323078609 VZYKGORMNJSWMK-UHFFFAOYSA-N 445.515 4.604 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)C(=Cc1ccccc1Cl)O2 2324140678 CYBLQUAAMXMVQE-QGZVFWFLSA-N 427.928 4.707 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)C=Cc4ccco4)CC3)cc2)c1 2324939348 WAOHCIZRNUPIKG-UHFFFAOYSA-N 426.472 4.790 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2325086320 CIQOWRGCGYHCKP-IBGZPJMESA-N 438.476 4.508 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3cc(OCC(=O)Nc4nccs4)ccc3C2=O)cc1 2325589379 MAOLXJXZFQMLKK-UHFFFAOYSA-N 449.532 4.623 30 10 IJEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1OC 2326238112 GPCWNVLIUQAXAG-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2cccc(OC)c2)CC1 2328179523 WWDBWCKJDZZPDS-UHFFFAOYSA-N 444.601 4.898 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc[nH]1 2328280340 ZPEDAXYKIMQWKL-UHFFFAOYSA-N 447.564 4.985 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C=Cc2cc(F)ccc2F)c(C(=O)OCC)c1C 2328932852 SBOUMAALAMLBOX-UHFFFAOYSA-N 435.448 4.506 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(F)c1 2329459088 BVADRTQXGZDNPE-UHFFFAOYSA-N 440.544 4.552 30 10 IJEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc2c(c1)OCCO2 2330849597 UTUBBVQJIKLGSE-UHFFFAOYSA-N 436.581 4.855 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc(Cl)c1O 2330953234 FKUBTJILILRSEX-KRWDZBQOSA-N 444.944 4.672 30 10 IJEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)cc1O 2330961524 JJUKQMYHWUWLTI-OAQYLSRUSA-N 438.553 4.635 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)C1CCCC1 2331020548 XPSWQCHFOQJLRS-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2N=Cc2ccccc2)nc2ccccc12 2331084383 LUVSNLXQILWOKS-UHFFFAOYSA-N 430.537 4.759 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCC)nnc1SCC(=O)Nc1ccccc1C 2331638857 ZBJFKUWVPVTLPY-UHFFFAOYSA-N 449.580 4.717 30 10 IJEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339588513 JQMKDKHMNLMBMV-HKUYNNGSSA-N 443.397 4.784 30 10 IJEE CCCN[C@@H](C#CC1CC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362766820 FTLJNIYDBAIPLZ-VQTJNVASSA-N 435.406 4.667 30 10 IJEE Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3c(C)cccc3C)c3ccccc32)cc1 3041235 BMIDLSULHUXQQQ-VYIQYICTSA-N 428.561 4.849 30 10 IJEE COc1cc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccccc2C)ccc1O 6459930 ZBEKLAZLSRXWTC-YPJOJRFLSA-N 441.483 4.892 30 10 IJEE C=CCN1C(=O)COc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc21 12081543 XUEGWHJNGWPFMM-UHFFFAOYSA-N 435.307 4.703 30 10 IJEE C/C(=N\Nc1nc(SCc2nc3ccccc3[nH]2)n[nH]1)c1ccc(Br)cc1 21081832 SRIUDYVTQWEGJZ-FOKLQQMPSA-N 442.346 4.572 30 10 IJEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccncc2)nc2ccccc21 40183542 OFWWYKWEFXDBLH-IBGZPJMESA-N 426.520 4.730 30 10 IJEE C=CCc1ccccc1OCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21 40183976 FJQOJIQEDNITHZ-UHFFFAOYSA-N 426.520 4.511 30 10 IJEE CC[C@H](C)n1c(O)c(C(=O)c2oc3ccc(Br)cc3c2C)c(C)c(C#N)c1=O 40522633 FTDLSUXMHARFJP-JTQLQIEISA-N 443.297 4.753 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 41285310 QFRSVZIUHGPUIQ-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 41432566 PISIYHXBFKVCRR-IWIPYMOSSA-N 443.499 4.799 30 10 IJEE O=C(N/C(=N/c1ccc(Br)cc1)NCc1ccncc1)c1ccc(Cl)cc1 45939378 MSJBARXIAXHEOZ-UHFFFAOYSA-N 443.732 4.705 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)NCc2ccc(C)cc2)n[nH]1)c1ccc2ccccc2c1 59022055 VRWXRMLDQJYRRN-PKAZHMFMSA-N 444.564 4.511 30 10 IJEE CCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)N(CC)C2=O)cc1 100246440 PDUUMBDOXYWSQM-JQBIEYAESA-N 431.945 4.719 30 10 IJEE CC/N=C1\S/C(=C/c2ccc(OCCOc3ccccc3)c(OCC)c2)C(=O)N1CC 103748882 JIMMDGAROLUHEK-AIQBXGKYSA-N 440.565 4.855 30 10 IJEE O=C1Nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2N/C1=C/C(=O)c1ccc(C2CCCCC2)cc1 104498499 WMXSCGMKWKVBCV-LDADJPATSA-N 436.424 4.682 30 10 IJEE Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C#N)c3ccc(F)cc3F)c12 111220197 MGFOLNSIMPOOIE-IBGZPJMESA-N 425.483 4.891 30 10 IJEE COc1ccc(N/N=C/c2cc(Br)c(OC)c(Br)c2OC)cc1 169885600 UMAWNQSHGSTDRA-DJKKODMXSA-N 444.123 4.683 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 170065344 ONABLYXUJKVZTR-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2F)c1 170069329 ZSZORQXFQRSDPH-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1c[nH]c2ccccc12 170073098 GFNKIPMNHAKINB-HSZRJFAPSA-N 443.503 4.653 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170077923 KYISINCSPJWCMU-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2O)c1 170141462 UNNGOBZETOBTJB-GYCJOSAFSA-N 441.483 4.807 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC(C)C)c1 170152847 NVBDCBYMAUIQIC-XMMPIXPASA-N 445.515 4.852 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)c(OC)c1 170156524 JGHHPOROBKQHMR-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccn1 170172107 FOUNFCOWJRTOFH-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)cc1C 170176419 ZQGIYNWJBHQEOD-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1cccnc1 170195961 AGXLYXWTICGLRL-QFIPXVFZSA-N 438.524 4.648 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)cc1C 170199453 KJKLTPFDUDVLLB-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)ccc1Cl 170264169 PXESLLFXNFOZEA-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299823 DKAZYKCQQGOWTQ-FPTDNZKUSA-N 433.435 4.833 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1 170337205 QKOQIBQNEKDIBG-QFIPXVFZSA-N 448.544 4.996 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OC)c2)cc1 170410967 OMTQNLFZUNJRCP-XMMPIXPASA-N 443.499 4.525 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC)c1)N2 226801994 JQTXPLHFMUZTDR-OTNCWRBYSA-N 436.577 4.884 30 10 IJEE COc1cc(C=Nc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252626591 RBUBAJJNXKVZBQ-UHFFFAOYSA-N 438.352 4.963 30 10 IJEE CN(CCN(C)N=Cc1c(O)ccc2ccccc12)N=Cc1c(O)ccc2ccccc12 254385943 KBMCBGWNAQKUKX-UHFFFAOYSA-N 426.520 4.636 30 10 IJEE CN(CCCCCc1cc(-c2cccc(F)c2)no1)S(=O)(=O)c1ccc(F)c(C#N)c1 488823484 MTUMGOSPSFDETN-UHFFFAOYSA-N 445.491 4.525 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCC(O)(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@H]12 504203227 WXTDWTMLFMQYPE-KWVKCVPZSA-N 444.015 4.938 30 10 IJEE biogenic C=CCCc1ccccc1NC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 505010731 LEQCLFPVHJLJSS-SFHVURJKSA-N 429.586 4.718 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccc(Br)s2)no1 511592837 MPXCFNARVVDBME-UHFFFAOYSA-N 435.303 4.657 30 10 IJEE CC(=O)N(c1nc(Cn2c(C)nnc2-c2cccc(C#N)c2)cs1)c1ccc(C)cc1C 525518190 CACZJYSSUVDNSM-UHFFFAOYSA-N 442.548 4.931 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C 537486962 PPVQQORSWOGWQN-JOCHJYFZSA-N 435.568 4.583 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1Cc1ccccc1 558929054 OBFORWOHFNAMNM-IBGZPJMESA-N 442.567 4.567 30 10 IJEE CCCOc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 585825838 LRQNDWIMESVRFR-QSQOUSPQSA-N 441.959 4.653 30 10 IJEE N#Cc1ccc(CN(CCc2ccc(F)cc2)S(=O)(=O)c2cccc(Cl)c2)cc1 586170163 XIAVNTVPAKHOTF-UHFFFAOYSA-N 428.916 4.784 30 10 IJEE C=CCn1c(SCC(=O)N(CCC)C[C@H]2CCCCO2)nnc1-c1ccc(Cl)cc1 592670483 QBMGOFQRLXYAHG-LJQANCHMSA-N 449.020 4.684 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 719505901 PVYAHLKKHBFJBR-HZPDHXFCSA-N 429.786 4.540 30 10 IJEE CCN[C@@H](C#Cc1ccccc1)c1ccc(I)c(Br)c1 721631203 UDWNCFNKARLQAT-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 762131670 RFHOJTQVTOQEIZ-MOSHPQCFSA-N 435.877 4.748 30 10 IJEE C=CCNc1ncc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)s1 764459833 DGIUYDKURHBMLZ-INIZCTEOSA-N 427.505 4.688 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN(C)Cc2ccc(OC)c(F)c2)c1=S 764859814 HCEWZZIUIOYDBD-UHFFFAOYSA-N 442.560 4.725 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 775732465 MZMQIKXALUURBV-LJQANCHMSA-N 439.712 4.717 30 10 IJEE C=CCc1ccc(OCC(=O)O[C@@H](C)c2nnc(-c3ccccc3F)s2)c(OC)c1 781863761 FDBHBWGPTMLZAL-AWEZNQCLSA-N 428.485 4.765 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1c(C)nn(C)c1C 802580907 AJEKLZRJZBXSMG-QGZVFWFLSA-N 428.968 4.634 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCc2cccc(F)c2[C@@H]1C 812187704 CUPJNRTYYDLYGX-SFHVURJKSA-N 449.530 4.543 30 10 IJEE Cc1ccc(N=C2S[C@@H](C(=O)Nc3cccc(Br)c3)CC(=O)N2C)cc1C 1084182274 ARTZLBADZWWULK-QGZVFWFLSA-N 446.370 4.656 30 10 IJEE C=CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1124199323 MDTOXTFRQILOMH-QHCPKHFHSA-N 426.582 4.940 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)c1 1126142718 YSDOKUDWJBSPSQ-FQEVSTJZSA-N 434.536 4.896 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1127328119 FJTBXGXAZYQYRZ-CTNGQTDRSA-N 430.470 4.878 30 10 IJEE C=CCN(C(=O)CCc1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1128111308 KNRBWFGQNHRDNP-NRFANRHFSA-N 433.470 4.827 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 1137840702 AZPQSEVRBPPLOT-QGZVFWFLSA-N 442.903 4.864 30 10 IJEE C=CCn1c(Sc2ncc(C(=O)OCC)c(C)n2)nnc1-c1ccc(C(C)(C)C)cc1 1162043191 STDSICOMKWVBDG-UHFFFAOYSA-N 437.569 4.855 30 10 IJEE C=CCn1c(SCc2cccnc2[N+](=O)[O-])nc2sc(-c3ccccc3)cc2c1=O 1165424507 ZZILSAFOCSCAGP-UHFFFAOYSA-N 436.518 4.907 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ncccc1Br)c1ccc(C(F)(F)F)cc1 1188471172 WFTXDRIJOMHUIX-HNNXBMFYSA-N 449.292 4.849 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1Cl 1189515034 FYAWVNLDBGFTHH-QGZVFWFLSA-N 443.725 4.543 30 10 IJEE C#CCN(C(=O)Nc1ccccc1OC1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1198404249 YFZNZCOVFUKNIO-UHFFFAOYSA-N 441.572 4.875 30 10 IJEE C=CCN(CCc1ccccc1)Cc1nc(Br)c(Br)n1CC 1204898675 JUXDOXITZDUAGL-UHFFFAOYSA-N 427.184 4.659 30 10 IJEE CC(C)(C)c1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)n(-c2ccc(C#N)cc2)n1 1205103997 DPJZTCIGCRFLAU-HXUWFJFHSA-N 446.555 4.593 30 10 IJEE CCCc1c(NC(=O)N[C@@H]2C[C@H]2c2cccc(OCC)c2)cnn1-c1cccc(C#N)c1 1216752741 DNHKACJRQHBQKF-FCHUYYIVSA-N 429.524 4.773 30 10 IJEE C#CCC1(NC(=O)NCC2(c3ccc(Br)cc3)CCCCC2)CCOCC1 1228720103 RLYWOCQUTSFGQJ-UHFFFAOYSA-N 433.390 4.523 30 10 IJEE C#C[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(F)cc1 1275426524 ZAGQBDAEBJQHCG-IBGZPJMESA-N 428.257 4.865 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](CC)C1 1286315532 DFXQRAUBCXGMRK-HSZRJFAPSA-N 431.584 4.771 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1csc(-c2ccco2)n1 1286381205 OSYAMLSTTMCWHT-UHFFFAOYSA-N 435.578 4.713 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC2(CCCCC2)O1 1286453784 WURMBCGGOJEKQJ-PMACEKPBSA-N 440.563 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1286546388 IWYIEQPLJRRMQZ-JRFVFWCSSA-N 443.680 4.864 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC(C)C)C(C)C 1286551751 MYDYFVUNZSHCCV-CVDCTZTESA-N 442.604 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N(CC)CC 1286565174 BNFWSPYTCDOKIX-HNNXBMFYSA-N 440.455 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC[C@@H](OC)C(F)(F)F 1286582765 COZHQYMOAGLRPL-LJQANCHMSA-N 435.494 4.651 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1286660690 QBXDBJLOMRWOCJ-UHFFFAOYSA-N 432.515 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1286665888 FIHFRYMZPYIRCD-UHFFFAOYSA-N 427.593 4.612 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1286705543 FMZYHELASAWUMW-IBGZPJMESA-N 441.626 4.879 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[S@](=O)C(C)(C)C)C1CC1 1286732116 KISXGUBTLPMPCB-KKIUXKEOSA-N 444.645 4.737 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC(F)(F)C1 1286743455 HRWNZEXEUKYNJI-REWPJTCUSA-N 446.542 4.558 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1286825126 HABIVKQGQMOPHL-MOPGFXCFSA-N 442.629 4.898 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc(C(C)(C)c4ccccc4)cs3)cc2C1=O 1287772867 SYRBVJKXMGOIJZ-UHFFFAOYSA-N 431.517 4.503 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)[C@H](C)CC 1300512008 FNZNDVWEDONFBH-MWTRTKDXSA-N 441.000 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(SC)CCC1 1300595208 IXBUPZHIIRRTCI-UHFFFAOYSA-N 445.057 4.972 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(Cl)nc1 1300644560 ZRSQIOGDXWVQCC-UHFFFAOYSA-N 432.380 4.780 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cc(C)cs1 1300950389 CDCIPXMMPMLXBF-GOSISDBHSA-N 445.633 4.975 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1300983041 UVOXPLUIVLUUNE-NQIIRXRSSA-N 435.399 4.866 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(OC)C2CC2)CC1 1301072527 KLPGOIBOHDNDFG-QFIPXVFZSA-N 445.405 4.988 30 10 IJEE C=CCOc1ccc(C(=O)NCC(F)(F)c2ccc(Br)cc2)cc1OC 1301254439 SZGZNNCEKOTEEB-UHFFFAOYSA-N 426.257 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ncccc1C 1301358002 UKEOKNOPJNLSJA-UHFFFAOYSA-N 446.536 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCN1CCc2ccccc2C1 1301358059 WMEDCMIZQOZMBL-UHFFFAOYSA-N 435.641 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CC[C@@H]1CCOC1 1301365602 TXWLKZYRNNOAGW-QGZVFWFLSA-N 444.551 4.828 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1coc(-c2cccs2)n1 1301383928 KMMNADKYDAUELR-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1(OC)CCCCC1 1301406888 XODJKNUHBHTDSR-UHFFFAOYSA-N 445.567 4.994 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1301606054 IEVWFHGQHVXXGU-GOSISDBHSA-N 425.602 4.599 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)c2nccs2)cc1 1304431427 GBSDIVNLONVLBX-IAGOWNOFSA-N 426.615 4.735 30 10 IJEE CCCc1nc(C)c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)o1 1306607278 DTHIAYMSMJEOAT-WBVHZDCISA-N 440.523 4.593 30 10 IJEE C=CCC[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1308341498 GLSLTBXLFRQAGY-QGZVFWFLSA-N 432.895 4.803 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 1310374466 QLYCSMMOVMEARO-RUZDIDTESA-N 449.570 4.992 30 10 IJEE C#CCN(C(=O)Nc1cnc([C@@H](C)CC)nc1)[C@@H]1CCOc2ccc(Br)cc21 1310628815 IXBWVZDCIXULFC-KBXCAEBGSA-N 443.345 4.744 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)c1ccc(Cl)cc1F 1311694695 LIRRECLEIBRJNA-NRFANRHFSA-N 444.934 4.518 30 10 IJEE O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 1312297755 DHHSGHFPPIGXSI-DOTOQJQBSA-N 438.343 4.569 30 10 IJEE C=CCCSCCNC(=O)N1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC 1312977793 RZDOKQHWJZTENO-RTWAWAEBSA-N 433.618 4.517 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1cccnc1C)c1ccc2c(c1)OCCO2 1348529725 DCOAQXSQKGHNBY-RAXLEYEMSA-N 442.515 4.973 30 10 IJEE C=CCN(C(=O)[C@H]1CCc2nncn2CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1350807546 KBPUTUBPARCOQE-ZDUSSCGKSA-N 448.379 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CC 1358899524 PAJSJMULGIJIKR-HKUYNNGSSA-N 432.037 4.556 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1358922158 VRAFKKDNLIFFNE-HXUWFJFHSA-N 440.897 4.542 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccoc1 1359090549 COXZIEWMIPCGFY-JLMWRMLUSA-N 440.519 4.768 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC(OCCC(C)C)CC1 1359095165 LBXWUBKLPPTSBF-ISKFKSNPSA-N 438.616 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCCc1ccnc(C(C)(C)C)n1 1359111746 LQPBGDMZFNRVNO-UHFFFAOYSA-N 433.604 4.771 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](CC)O[C@H](C)C1 1359224522 USFJIECMRKSSPA-WBVHZDCISA-N 439.387 4.848 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccsc1)N(C)C 1359244509 GUHLBJHCIIKIIC-HXUWFJFHSA-N 427.643 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@H]1C 1359262327 PKQBQNZKZPLMNT-PWHSHALESA-N 430.618 4.621 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC(F)(F)CO1 1359266738 KQYVHCWQLFZCKB-CRAIPNDOSA-N 438.906 4.674 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1359324445 LHQOMWFFVUBWLO-ICSRJNTNSA-N 438.469 4.633 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCc2ccccc21 1360469663 GBRHBEJJFYQGTD-HOCLYGCPSA-N 439.361 4.504 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 1435133147 BQLFQJQTCCGQCW-QHCPKHFHSA-N 434.540 4.619 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1435512105 DTOKVGHMEWSKPZ-RXVVDRJESA-N 430.335 4.514 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1 1441344781 WZTVPYDUCNQBJW-XZOQPEGZSA-N 436.552 4.598 30 10 IJEE Cc1nc(SCC(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)c(C#N)c(C)c1C 1445472135 DEANWSNKPLEMEA-UHFFFAOYSA-N 433.499 4.691 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN[C@H](CO)c3ccc(F)cc3)c2C#N)C1 1460141185 HXRNNDDFPGGMMI-OXJNMPFZSA-N 443.588 4.562 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C 1465224341 PGYJWZMJECMWLG-AWEZNQCLSA-N 430.467 4.503 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 1465533150 BFNHBPYZLUPBIQ-SFHVURJKSA-N 447.457 4.583 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)CNC(=O)OC(C)(C)C 1465762991 HTZWEFQJXLNOEQ-OAHLLOKOSA-N 442.491 4.772 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 1468106582 VCTIUSZSSAPURJ-DOTOQJQBSA-N 445.357 4.768 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1469928228 ZUQGXOWEDRPETB-PMACEKPBSA-N 432.564 4.976 30 10 IJEE C#C[C@H](NC(=O)N1CCC(OCCc2ccccc2)CC1)c1ccc(Br)cc1 1470663863 SJMVAWPGJFJFBY-QFIPXVFZSA-N 441.369 4.557 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 1471479630 CEAYCRDAFMCGAV-KRWDZBQOSA-N 425.932 4.790 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)COCC2CCCCC2)n(Cc2ccccc2)c1C 1473815027 CUYUFIQVYGSYGR-LJQANCHMSA-N 436.600 4.538 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 1476599824 WTOCVULBOAAHAV-UHFFFAOYSA-N 427.476 4.654 30 10 IJEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)C1 1499507278 DEJHMSSOPGQJEK-SFHVURJKSA-N 448.596 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCn2cc(C)nc21 1507525301 AFFDEBYHLHLITQ-JKSUJKDBSA-N 443.382 4.792 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC(C)(C#N)CC1 1507558248 GZTVUJYXZYCVQW-UHFFFAOYSA-N 426.362 4.641 30 10 IJEE C#CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(Br)s1 1507597344 YXWIRILQXJPUAU-UHFFFAOYSA-N 445.390 4.923 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CCC(C)C)CC1 1507762882 DQHURSFWAAKYOZ-HHHXNRCGSA-N 444.627 4.567 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H](C)CC#N 1507790353 GMHLDYWFNHAKEM-QGZVFWFLSA-N 446.393 4.936 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H](C)CCC 1507797905 SYKMHVVUTGILGJ-JLMWRMLUSA-N 428.577 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)C(C)C 1507824122 SDFUNKOUJUJATM-VWLOTQADSA-N 428.621 4.964 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCSCC(C)C 1507974396 BOMYRYCPUREDAY-UHFFFAOYSA-N 439.423 4.728 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CCCN(C)CC(F)(F)F)C1CC1 1507989455 DDMFNLMGPJSHNO-UHFFFAOYSA-N 427.902 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N1CCC(C)CC1 1508011558 HKVYMKDOLDRTCX-IBGZPJMESA-N 444.023 4.906 30 10 IJEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](c1cccnc1)C(C)C 1509020334 CBEAXRYQRFXXGR-ZEQRLZLVSA-N 444.583 4.686 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C)c1ccsc1 1515522654 FRCMKTFTIRITQY-PGRDOPGGSA-N 434.613 4.950 30 10 IJEE C#CCOc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 1521866558 AQZKDPZOJNJGNG-XMMPIXPASA-N 446.934 4.530 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccccc2OCC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1527789969 PLEKVMAVMUVEPJ-NRFANRHFSA-N 442.478 4.590 30 10 IJEE C#CC[C@]1(C(=O)Oc2cc(F)c(Br)cc2C)CCCN1C(=O)OC(C)(C)C 1532808240 RVIFCUKLGWKWAL-HXUWFJFHSA-N 440.309 4.595 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 1533138407 HBNFIAJTXDJYLX-UHFFFAOYSA-N 426.407 4.869 30 10 IJEE C#CC1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)CC1 1537389050 PWICKWYPSQPALL-UHFFFAOYSA-N 444.503 4.504 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC)CC2CCC2)c1 1538157487 YQDSNDANOUEAFP-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1539123725 CXLDUZCWPWVHDB-FQEVSTJZSA-N 449.624 4.694 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1539359771 RLVRAPHTPGSGRK-JKSUJKDBSA-N 436.478 4.715 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CCCN1C(=O)OC(C)(C)C 1539390621 VGUSTYZQBJBVNQ-GJZUVCINSA-N 443.632 4.605 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccsc1 1539399706 QGKAGIRAZCJFNX-QGZVFWFLSA-N 440.638 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC=CCC1 1539614526 AGGZYUUTQZDEDU-OPYAIIAOSA-N 428.964 4.819 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539694788 NUTSCXIRSZKNSE-IBGZPJMESA-N 425.577 4.605 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(O)(CC)CC)CC1 1539878138 SQUIQVKDNBMKSJ-UHFFFAOYSA-N 447.421 4.970 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCSC2)C1 1539952927 LZBKNAMDFHOSHJ-IBGZPJMESA-N 436.423 4.725 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)nnc1-c1ccc(Cl)cc1 1540075763 YFJCLJQGIWDQGS-PKOBYXMFSA-N 431.005 4.819 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCNC(=O)c1ccc(C)cc1 1540143232 SVWTZLRLZFMQHB-UHFFFAOYSA-N 449.624 4.928 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC1CCN(Cc2ccccc2)CC1 1540168453 OBQCQSCIJUULFA-DEOSSOPVSA-N 435.616 4.610 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@@H](C)[C@@H]1C 1540880927 UEIOFKQFJIJKBT-OALUTQOASA-N 435.597 4.592 30 10 IJEE CC(C)N(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1)C(C)C 1541618775 GKMGFRBGWMVMCP-UHFFFAOYSA-N 438.620 4.618 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCc2occc2C)c1 1544564823 DSAQICQHCPEJLJ-UHFFFAOYSA-N 445.924 4.980 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2C)C1 1557408364 ZAPQMVWBTLUZDX-LJQANCHMSA-N 442.581 4.623 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@@H](C)CCN1C(=O)c2ccccc2C1=O 1560880177 XVJVEZVBJKLLSC-AWEZNQCLSA-N 429.314 4.501 30 10 IJEE CCC1(CC)CN(S(=O)(=O)c2ccc(C#N)c(F)c2)c2ccc(Br)cc21 1561350203 DFGDVRMZKBOVQT-UHFFFAOYSA-N 437.334 4.727 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 1583695694 MBFJDXQIVGGETO-AWRGLXIESA-N 434.580 4.772 30 10 IJEE C#C[C@@H](NC(=O)c1sc(Cc2ccccc2)nc1C)c1ccc(Br)cc1 1584707574 AHSRYYNFKSMTFI-GOSISDBHSA-N 425.351 4.909 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(OC)CCC1 1587672353 AZNROUNTKXYWMY-OAHLLOKOSA-N 437.371 4.581 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CC1CCC(C(F)(F)F)CC1 1587674417 ZZINXZMZTSRGNO-KLAILNCOSA-N 438.469 4.823 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCCC)CC1 1587777791 REPAANWXVSATRJ-JOCHJYFZSA-N 433.600 4.939 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCOC1CCCCCC1 1587916064 ZTZZWFNUQDQSJJ-GOSISDBHSA-N 430.980 4.880 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC1CCCC1 1588387606 VPJKFTQWDHAHGD-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2C)n1CC1CCN(C(=O)OC)CC1 1594559437 LLCYZAMTKIADDG-UHFFFAOYSA-N 439.604 4.915 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1594569058 XORXLINZYFWXFE-GOSISDBHSA-N 426.996 5.000 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1594615058 DBCLXQIWHHDHKM-UHFFFAOYSA-N 435.616 4.999 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC=C(Br)C1 1594650936 DDSPJCJQQUATMH-UHFFFAOYSA-N 447.377 4.711 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CCC(C)(C)C)CC1 1594760669 MTWVDFJCEVMLEH-UHFFFAOYSA-N 439.648 4.998 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)C1CCCC1 1594868196 UFBTVFFRIPRXNU-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccnc(OC(F)F)c1 1594896064 SRQGBWVCAZIXBT-UHFFFAOYSA-N 445.539 4.942 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1CCN(C(=O)OC(C)(C)C)C1CC1)C1CC1 1595043916 HTKUDCAFWDSKCZ-UHFFFAOYSA-N 437.588 4.808 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccco1)N(C)C 1595099863 KBGBQNANZASUTI-QFIPXVFZSA-N 446.599 4.827 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nccs1 1595119635 CEQQLZLFZRAHID-TZIWHRDSSA-N 437.613 4.894 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](COC)c2cccc(Br)c2)cc1OC 1595856507 HKAOLUWPPZICEA-SINXNMPMSA-N 446.341 4.540 30 10 IJEE C=CCn1c(SCC(=O)c2sccc2Cl)nnc1[C@@H]1COc2ccccc2O1 1613299236 JVJHLMQNMVGVQJ-INIZCTEOSA-N 433.942 4.667 30 10 IJEE CCCC(=O)Nc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1614297425 DTNLVLLTKVJIOF-AREMUKBSSA-N 448.615 4.928 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 1617780991 AHOSDKVTCPYIDQ-LPHOPBHVSA-N 433.478 4.696 30 10 IJEE C=CCc1cc(C(=O)Nc2c(C(=O)OCC)ccc(Cl)c2OC)cc(OC)c1OC 1618189613 ILGZWKLEBMUOSD-UHFFFAOYSA-N 433.888 4.523 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cc1 1621179146 COULXUPEJMDHDM-QFIPXVFZSA-N 431.923 4.799 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 1623075152 ANOMRLWJQCLFAC-BXKMTCNYSA-N 435.549 4.970 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C(=O)OCC 1624251800 KIWZOWAKUHNFRE-KRWDZBQOSA-N 433.291 4.808 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](c3c(F)cccc3Cl)N3CCCC3)cc21 1627742679 MLHXDMUVEUPKPX-NRFANRHFSA-N 441.938 4.973 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(SCCOC)cc1)c1ccc(Br)cc1 1631332344 KMFPWSOFNLOALZ-MGPUTAFESA-N 447.398 4.922 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1633345106 BHRSFXIAVTZSAM-OAQYLSRUSA-N 437.540 4.938 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 1634699044 DPPVWQZRDVHKBO-XMMPIXPASA-N 425.532 4.810 30 10 IJEE C=CCC1(NC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CCCC1 1640545910 KTZLHSLCSIGSDQ-UHFFFAOYSA-N 426.582 4.586 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cc(Br)cs2)n1 1641583629 XGQNRWFNLZIONS-ZDUSSCGKSA-N 425.373 4.774 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2c(Br)cc(C)cc2C1 1642799598 WWMMOFWDONYQEG-INIZCTEOSA-N 433.415 4.780 30 10 IJEE C=CCOc1c(Cl)cc(CNCC2(N3CCSCC3)CCCCC2)cc1OC 1649486694 DAMHCIQEUKXLFW-UHFFFAOYSA-N 425.038 4.755 30 10 IJEE N#Cc1cc2c(nc1OCc1nc(Cc3cccc(Br)c3)no1)CCCCC2 1653033188 CVHSQASTTZZOLT-UHFFFAOYSA-N 439.313 4.537 30 10 IJEE C=CCN(C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1658259741 NKQYZNYTCAYJSQ-PKTZIBPZSA-N 444.616 4.686 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@@H](C)COC1CCCC1 1661282525 SRIJKNNQOGQSKL-HNNXBMFYSA-N 448.398 4.501 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)cc1 1666222901 YIDVGLUXZGXLRK-UHFFFAOYSA-N 427.495 4.757 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCOc2cccc(C(C)(C)C)c2)cc1 1666389570 KQYBORFZXDJDMR-UHFFFAOYSA-N 435.568 4.999 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C 1668388991 DMDJPTKCMGXATP-LPHOPBHVSA-N 430.549 4.503 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1669029889 FGNMQVKDGZKAOP-IBGZPJMESA-N 433.474 4.952 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Cl)cc2-n2cccn2)cc(OC)c1OC 1676448883 YYIMOVQZWLIJAW-UHFFFAOYSA-N 426.904 4.593 30 10 IJEE CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)(F)F)cc1 1677794955 AIKFFOVNGRZMNE-YADHBBJMSA-N 444.501 4.947 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1680284860 VSYWBNRJKNEDBL-FORWCCJISA-N 435.515 4.669 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H]1CC2(CCOCC2)CO1)c1ccc(C(F)(F)F)cc1 1680633601 QESUNMXSPMNURW-RBUKOAKNSA-N 426.479 4.598 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1681380634 HIBMJCRHYQVLPE-QHCPKHFHSA-N 435.568 4.924 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCCc1cc(Br)ccc1SC 1684420701 ALGVCPIWJGJADN-UHFFFAOYSA-N 435.362 4.698 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1685676286 YAAKFELNHSTQPN-HXUWFJFHSA-N 440.588 4.683 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2ccccc2N(C)C[C@@H]1CC)c1ccc(Br)cc1 1686919580 ICQXWUIIGGKSMW-VQTJNVASSA-N 426.358 4.564 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1689900085 AARDKHKCWIXLQA-UHFFFAOYSA-N 443.636 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(OCC)CCCC1 1690063921 UKRYWWSZFTZDNF-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC)C1 1690249609 ZUBWJOIPADWBAX-WPYKKVEZSA-N 445.007 4.509 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690367146 DCBFOWFVMDXSRX-FGZHOGPDSA-N 437.632 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)[C@H](C)CC)CC1 1690406576 LGKRBQZZUULRPC-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2ccnc(OCc3ccccc3)c2)CC1 1690412669 ZZDAPVJLIPPAHQ-UHFFFAOYSA-N 431.584 4.901 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C)C2(CCC2)C1)C(C)C 1690580733 DYTOTFCWOWCIKV-JTHBVZDNSA-N 436.648 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1C(F)(F)C12CCC2 1690583879 ZOZYNRLKXPNRIS-LJQANCHMSA-N 441.526 4.761 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1CC1C[C@H](C)O[C@@H](C)C1 1690609626 VLIIMEOXWXUYTI-OALUTQOASA-N 440.613 4.962 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1C[C@]1(O)CCCC1(C)C 1690609647 VXDFKJYADSYLSF-RUZDIDTESA-N 426.605 4.780 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1cccs1 1690993279 HUSAXTNLRLIXID-HZPDHXFCSA-N 429.977 4.972 30 10 IJEE Cc1cccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)n1 1693204498 BLUSWPLOTIPTHM-PZJWPPBQSA-N 444.583 4.690 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1705486745 KPUQHFPGJFTTHQ-ZDUSSCGKSA-N 443.313 4.545 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC(CC)(CC)OC 1705670592 AZXVEBBMAQUQJH-JOCHJYFZSA-N 430.980 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1 1705702435 MODBJHJBRFGYLQ-AVRDEDQJSA-N 430.568 4.502 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1705733436 NOGUEVXXVHNBTR-KXBFYZLASA-N 449.368 4.818 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705748990 HENACPNLZRULPI-KRWDZBQOSA-N 447.370 4.607 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCCCC2)CC1 1705777182 YYDPCDBMVHJLRI-GOSISDBHSA-N 428.552 4.655 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1705783647 OLOLISHIJMPOHL-VWLOTQADSA-N 444.627 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1705788870 PTMHCCSULFWELW-UHFFFAOYSA-N 434.632 4.977 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OCC)CC1)c1ccccc1 1705796558 HBQPJVNZTSSNOJ-QFIPXVFZSA-N 437.588 4.574 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1705804883 QRRHGYKRLJSSKB-JTHBVZDNSA-N 445.615 4.581 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCCN1CCCC[C@H]1C 1705839111 NUCVSIWGARHAAG-GOSISDBHSA-N 446.437 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nnc(C)s1 1705870630 LZXOLZAELWCQOP-AWEZNQCLSA-N 426.615 4.518 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1705887263 WQYPVHXSZYGJGH-PXNSSMCTSA-N 442.560 4.990 30 10 IJEE C[C@H]1C[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 1707989841 CLLSHSYNXAIQLV-QXYMSOSGSA-N 443.636 4.530 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)CC1 1708019090 CYQDYHLBILNGSH-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(COC)CCCCC1 1722279971 INANFNBOVPPPLJ-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1(COC)CCC1 1722281087 MAZIVCJHDNAJRZ-ROUUACIJSA-N 426.630 4.796 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1722309259 WGJJBTJEOMYBKZ-YLJYHZDGSA-N 432.515 4.774 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1722463976 RDFIMZNJPZZISX-UHFFFAOYSA-N 433.002 4.820 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H]1CC 1722482975 FDWJOIRSQKXWEY-MRXNPFEDSA-N 428.334 4.888 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccc(C)o1 1722503167 VVIRFKIZUMJVRU-MBSDFSHPSA-N 440.519 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722505688 CEKJBTIEEWBIIF-DYXWJJEUSA-N 443.661 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1cccc(COCC(F)(F)F)c1 1722512646 HTZDPLGOBFVRRI-UHFFFAOYSA-N 447.505 4.813 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 1722516176 VIIFJCHVMBCIIU-UHFFFAOYSA-N 449.565 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nccc(C(F)F)n1 1722526828 OGSYGOGCEOBAQB-UHFFFAOYSA-N 437.498 4.615 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(OC)C2CC2)CC1 1722574992 UVZOGAUASPNLHK-XDHUDOTRSA-N 428.552 4.775 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1)C(C)C 1722663285 UJDMGQGYABRQPW-XUZZJYLKSA-N 447.631 4.545 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC1CCN(CCC)CC1 1722665478 DHVFDNXAFNEIQL-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE CC(C)c1csc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)n1 1722862936 FYZHYOYGQSUHAI-HOTGVXAUSA-N 442.564 4.781 30 10 IJEE Cc1n[nH]cc1CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1724100791 ADDOQYQLQNSFEN-UHFFFAOYSA-N 441.942 4.532 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 1740585029 NJPKXTLBEGCOIK-IBGZPJMESA-N 440.563 4.899 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCC1CCCC1 1740633764 SAEVEPIFBCOGHE-UHFFFAOYSA-N 431.403 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCCc1ccnc(C(C)(C)C)n1 1740771755 CEBQIZXSKDGYBQ-HXUWFJFHSA-N 426.609 4.642 30 10 IJEE C=C(C)COCCn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1c(C)cc(Cl)cc1C 1740799575 PJELTGCREVBNDN-KRWDZBQOSA-N 444.967 4.758 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1740854442 GUWOBIHIOTYZHK-DNVJHFABSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740865662 PYFCKWKDABOQQF-MOPGFXCFSA-N 430.980 4.730 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCN1CC)C1CC1 1740907279 SJSYPOHMISUSSJ-IBGZPJMESA-N 444.421 4.655 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740944519 NEEWBUUCACNJCS-DFYVNMARSA-N 440.638 4.691 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCSC(F)(F)F 1748640338 TVXNQYCVZHNAQZ-GDBMZVCRSA-N 426.508 4.746 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCSC(C)(C)C1 1748708859 JFBIBNDSOKTQNC-UHFFFAOYSA-N 433.419 4.843 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1CCC(F)(F)CC1 1748837840 OTTOTXAMEQIGRL-UHFFFAOYSA-N 447.327 4.606 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1749286783 RDWKBRFMEWFNTP-PZJWPPBQSA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCOCC(F)F)CC1 1749292021 NLUPOLIBYZVMGH-OAHLLOKOSA-N 426.895 4.510 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C)CCC1 1749384219 VLZUZRJUNAOQHT-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749395618 MFXSOLJPFSMANJ-UHFFFAOYSA-N 425.577 4.667 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@@H]2CCCO2)CC1 1749418153 YSATXXPYLFFEKK-FQEVSTJZSA-N 430.980 4.969 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1cnn(CC)c1 1749587043 FZHHDPVMNDQRBQ-UHFFFAOYSA-N 436.947 4.691 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(SC)cc1 1760239206 ZVOFHDCPZYATHO-NHCUHLMSSA-N 426.630 4.621 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1760433194 BHUBBXNQFIEKRC-HXUWFJFHSA-N 440.569 4.558 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ncc(C)s1 1760486507 QATVWPXGZFKEIX-OAHLLOKOSA-N 439.614 4.501 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)OCCc2sccc21 1760491264 ZJEOCCUQDFDYAK-XMMPIXPASA-N 436.581 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760492220 KZTGVLNRRLBQIL-LJQANCHMSA-N 425.577 4.627 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1760565221 QZGBMEXLCJBNKV-NHCUHLMSSA-N 427.618 4.520 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(C)C)CC1 1760565910 HJSQZRMUYZIXOK-NRFANRHFSA-N 428.602 4.582 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC=C(Br)C1 1760569225 HLUJXTAXSQFPSP-UHFFFAOYSA-N 449.418 4.574 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1761613553 DDELVWSEHBWTFJ-MJGOQNOKSA-N 435.597 4.824 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CCCCC2)cc1C 1761806733 CQEMLXHHMDMUAT-RUZDIDTESA-N 434.588 4.858 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@H](C)C#N)n1 1762211454 HTRBUPKQDIYPOW-CVEARBPZSA-N 431.569 4.658 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCC)c(OCC)c1 1862423162 WIKZIMJAQBBDFB-NRFANRHFSA-N 443.446 4.527 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862494230 IOXXTSZVFQDHIC-XUZZJYLKSA-N 449.547 4.850 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(CC)cc2)cc1 1862530276 OVLHOMHTPOWFLI-XMMPIXPASA-N 434.580 4.732 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(OCC)c1 1862585992 JOETVNPVWVFZFP-IBGZPJMESA-N 448.302 4.862 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862592447 DBIWSVCUMBLEJA-QHCPKHFHSA-N 442.515 4.863 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862617231 HHRGFVRYRZKVSA-VLIAUNLRSA-N 427.928 4.597 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCC2)cc1 1862628479 ZQAIVTQUTFRSSL-QHCPKHFHSA-N 449.503 4.725 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(F)cccc1Cl 1862755973 IKYITHTUMRFQAM-GOSISDBHSA-N 432.835 4.766 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961934 OZRJQBJQTDOVFH-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN(CC=C)c1cc(N(CCO)Cc2ccccc2)nc(-c2ccccc2Cl)n1 1867978161 QAXDMVFOTCMOCV-UHFFFAOYSA-N 434.971 4.974 30 10 IJEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868238276 NCMFDCUXOBLOBP-HSZRJFAPSA-N 442.542 4.774 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1 1868788780 PQUQTDPPILMAHL-OAQYLSRUSA-N 431.536 4.902 30 10 IJEE CCCCOCCCn1cc(OCC)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870237324 SWKJFXHCKWDHQV-UHFFFAOYSA-N 443.613 4.938 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1CCC[C@@H](C)C1 1870449257 ZZQPQIRLPQMDIY-OAQYLSRUSA-N 434.621 4.773 30 10 IJEE CCCCCCCCCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN(C)CCO 1870567398 RQZVIHHGZUHYHI-UHFFFAOYSA-N 447.620 4.597 30 10 IJEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccco3)C4=O)cc2nc1C 1871378988 LDEXNFMSFOKJRA-UUYOSTAYSA-N 426.428 4.983 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)cc(C)c3C2=O)cc1 1871392465 YCJNYEYOOKVNLI-BKUYFWCQSA-N 448.496 4.998 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872475386 INHGXOJETIKIDR-HSZRJFAPSA-N 428.598 4.932 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872525917 LKWMCIONRVLGKQ-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE CC[C@H](C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 1872767296 WPKCDOVPOVOZGD-LIRRHRJNSA-N 429.501 4.695 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccs2)cs1 1872771479 VLVPPIZGZRZGBR-GFCCVEGCSA-N 436.345 4.785 30 10 IJEE CC(C)(C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 1872776174 JWKDFUOBBYEEBB-SFHVURJKSA-N 447.491 4.834 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)NCCc3ccc(Cl)cc3)c(=O)oc2c1C 1873933197 IRRQXUXMNVBWFC-UHFFFAOYSA-N 439.939 4.920 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCO)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874253680 GJIWQLNHEYBWNF-KOEQRZSOSA-N 438.597 4.688 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SC)cc1 1874259803 SYLVYRZFVYVDKG-ZMOGYAJESA-N 431.512 4.586 30 10 IJEE OCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874344081 WGWPJCDDWRFFNB-SSDVNMTOSA-N 441.771 4.796 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(O)c(O)c1 1874373810 SKQALRNOAFCMDV-VULFUBBASA-N 448.523 4.902 30 10 IJEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(O)cc2O)c1 1874383688 IDBKLQUKUIGAOZ-AFUMVMLFSA-N 446.532 4.751 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccnc2)cc1 1874426386 FZZULXVADKPVRU-WGOQTCKBSA-N 442.548 4.516 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 1874445953 OYQLLGYJXDWPRS-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE CCOc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)c1 1874448354 ZMBAXOQKPSXYGA-PGLVWIQMSA-N 426.517 4.842 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(C)c1 1874456452 SOBYPIKEUZEDCA-LFVJCYFKSA-N 427.618 4.867 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccs2)c(C)c1 1874468993 IAWFYIXKFKXEMG-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE Cc1ccc(COc2ccc(/C=N/n3c(SCCCO)nnc3C(C)(C)C)cc2)cc1 1874485429 UOPKCNCEEPNCBR-PCLIKHOPSA-N 438.597 4.820 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1/N=C/c1cccc2ccccc12 1874520755 UQZOQVMBBLXEPK-PCLIKHOPSA-N 435.597 4.932 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OCC(=O)OCC(C)C 1874606871 KSJXEJJCRUQAHT-JXMROGBWSA-N 426.509 4.876 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(F)(F)F)c2)c(OC)cc1Cl 1874712423 WLGNYGQTYZVKBK-GQCTYLIASA-N 444.789 4.730 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2ccc3nc(C)c(C)nc3c2)c1 1874732471 CFVXKLLVYWEZNN-UHFFFAOYSA-N 429.520 4.713 30 10 IJEE CC1(C)OB(c2ccc(CN3CC[C@@]3(C)CCOCc3ccccc3)c(F)c2)OC1(C)C 1892547689 YNKIHAACQPHAQF-SANMLTNESA-N 439.380 4.696 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCC1(C)C 1950231347 VWCREOYOKUNXHN-NRFANRHFSA-N 436.557 4.996 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2009499027 FVAJBKFWCXIIIE-HSZRJFAPSA-N 431.508 4.860 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC 2063091040 YNTVESZZKARNEN-UONOGXRCSA-N 435.765 4.842 30 10 IJEE C#CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)c(Cl)cc1N 2084774835 IIOHMLPHYMYHBP-SFHVURJKSA-N 431.758 4.618 30 10 IJEE C[C@@H]1C[C@@H](CNc2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2115817394 GLZXTIAMMRNBNT-OLZOCXBDSA-N 426.330 4.907 30 10 IJEE N#Cc1cc(N[C@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)ccc1Br 2156289484 UFTSEXGUHVAYRQ-IFMALSPDSA-N 426.358 4.556 30 10 IJEE COCCC1(Nc2ccc(C#N)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2162309921 RLNJLOJEICHTAS-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@@H](CC(F)F)C1 2183426435 MYVYCGQWBDQKOZ-LBPRGKRZSA-N 448.283 4.541 30 10 IJEE O=C(NC[C@H](Nc1ncccc1[C@@H](F)C(F)(F)F)C(F)(F)F)OCc1ccccc1 2199320856 RLFRXNARRIUNRI-UONOGXRCSA-N 439.331 4.924 30 10 IJEE NC[C@H](CC#Cc1sc(Br)c(Br)c1Br)C1CC1 2216398625 XNYRYMORSYVFFH-QMMMGPOBSA-N 442.014 4.762 30 10 IJEE C=C1CC(CN)(C(=O)c2sc(Br)c(Br)c2Br)C1 2216497150 IYDOVAOUMLBNHY-UHFFFAOYSA-N 443.986 4.513 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@@H](O)C#Cc1ccccc1Br 2237287511 VYKFLHYQHHHAGW-SFHVURJKSA-N 432.314 4.890 30 10 IJEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1cccc(OCc2ccccc2)c1 2267005222 LLVUUAXEHVZSBY-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE Cc1cc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)sc1Cl 2281978113 YFFBHCCXNHFDHX-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2cccc(Br)c2)c2ccccc21 2296217062 QEPBCGJFCQOCET-RTBURBONSA-N 427.342 4.667 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CCNC(=O)OC(C)(C)C)C(C)C 2296269265 NFYCQKNIHSBQRD-VQTJNVASSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@@H](N)C#Cc1cccc(Br)c1 2296288551 IKYLAZYELWNESY-ZRNYENFQSA-N 433.390 4.554 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1 2296593685 JDMVZAGZZJSUHH-HSZRJFAPSA-N 427.456 4.524 30 10 IJEE COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 2296938677 NDBNRVXRKGIGMS-VWLOTQADSA-N 441.483 4.886 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCCCC12CN(C(=O)OC(C)(C)C)C2 2305315682 FNJZUJGEIWIWIL-VWLOTQADSA-N 428.573 4.699 30 10 IJEE CCC[C@@H](CS)COCc1ccc(I)c(Br)c1 2306304542 HMSLXXNQHMRLIR-LLVKDONJSA-N 429.161 4.916 30 10 IJEE C[C@@H](C[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317349966 LQMFLDJDVIWXKA-DLBZAZTESA-N 432.370 4.797 30 10 IJEE Cc1ccccc1CSc1nnc(C(C)C)n1N=Cc1cn(CC(=O)O)c2ccccc12 2321844635 HCDKWMUZJUBJSI-UHFFFAOYSA-N 447.564 4.924 30 10 IJEE Cc1cc(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323437297 QAIKSJMBNVLNAF-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2324010223 IIGHTGGFAQBFQH-UHFFFAOYSA-N 439.552 4.936 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)c1OC 2324111130 IHYXNJIPZROERJ-UHFFFAOYSA-N 443.499 4.584 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)C(C)(C)C)c3C)C2=O)c(OC)c1OC 2324923176 VBQXXUSOMXWTRM-UHFFFAOYSA-N 440.492 4.631 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)c1ccc(NC(=O)C2CC2)cc1 2325648614 QBHVZEYZHBZHFM-UHFFFAOYSA-N 429.428 4.506 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)cc1 2325715125 FSBZGTXAQOTIKB-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325718470 DEIRRTUQBLRUBB-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)c1 2328607730 MYYPUBHBCCHOSW-UHFFFAOYSA-N 445.592 4.893 30 10 IJEE Oc1nc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc[nH]2)nc2ccccc12 2330280576 IBVYEKKPJNXACT-UHFFFAOYSA-N 447.568 4.552 30 10 IJEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2330821961 NFHFROYVKHAGTD-UHFFFAOYSA-N 439.541 4.963 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)[C@@H]1CCCO1 2331182954 OMEJXCXPPBKMSS-IBGZPJMESA-N 445.309 4.828 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1Cl 2331688798 BSSUBEYSZZOPBJ-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2cc(C)ccc2C)c2ccccc2)cc1 2332190502 SBBXXRVNIYKXBM-UHFFFAOYSA-N 449.514 4.944 30 10 IJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(Br)ccc1I 2339573218 UFWDSGRFWCODMG-NHYWBVRUSA-N 432.143 4.754 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)C3CC4(CC(OCc5ccccc5)C4)C3)C2)OC1(C)C 2342482650 XOYXDOXIUIFTFE-HKKZHJGJSA-N 439.405 4.847 30 10 IJEE COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccccc3OC)c(OC)c1)C2=O 8823779 WETAVKNOLDRZCI-QRVIBDJDSA-N 432.428 4.548 30 10 IJEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc(O)c2CN1CCN(c2ccc(F)cc2)CC1 41585578 NLNAXEAVINCIBU-IWIPYMOSSA-N 448.469 4.609 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C1=O)cn2C 41662412 PDPTZJSLEANXCO-VROXFSQNSA-N 442.471 4.748 30 10 IJEE CC(C)(C)NC(=O)CCSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59816605 BQWWUTDZCHWVAM-MFKUBSTISA-N 446.580 4.954 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c(OC)c1 110528962 WTUPOAKHUQSOMJ-FOKLQQMPSA-N 433.416 4.807 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N[C@@H](C#N)c1ccc(F)cc1F 111219713 BCCUKCYYOSCBNX-SGQUHAKNSA-N 430.817 4.646 30 10 IJEE O=C(Oc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 169902808 DEPUUBRQLICFOV-YDZHTSKRSA-N 449.315 4.525 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972540 DZBHOGRDJYHUDW-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccs2)c1 169982607 UGMGIXHPPCKHLE-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccnc1 170009631 ZDDZOHLINQNEFS-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(F)cc2)c1 170060638 JTWVUEBSEBAMSQ-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170104063 VUBXMBPUXNUHIH-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170114096 UFPMTBKBAYYAOD-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCCC2)c1 170119414 GIJVICRCFWBXLU-GYCJOSAFSA-N 447.531 4.930 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCOC(C)C 170122079 LLTOZPJNYUGWQN-DEOSSOPVSA-N 449.547 4.577 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170197398 YLYHIJIVIWNKCF-XMMPIXPASA-N 442.490 4.878 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170409840 IFSIIMNDUPFLOX-JOCHJYFZSA-N 428.444 4.723 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 170413790 JIXNVBJJMVQKML-JOCHJYFZSA-N 447.560 4.768 30 10 IJEE C=CCn1nc(C)c(CCC(=O)N2CCC[C@H](c3nc4ccccc4n3CCC)C2)c1C 222410544 AFDVFPJOVDTQKR-NRFANRHFSA-N 433.600 4.784 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNc2ncnc3ccc(Br)cc23)ccc1OC 301262865 LSTYNJVGGYLUHV-HNNXBMFYSA-N 427.302 4.694 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Br)c(C)c2F)cc1 433538491 NYUZKNPQLHCCBR-UHFFFAOYSA-N 431.305 4.963 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 460565231 YTYLEVVEUOSKIN-UHFFFAOYSA-N 441.583 4.594 30 10 IJEE CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cc(C#N)c(SC)nc1O 478215005 WZCPBGPXAYOSPO-GOSISDBHSA-N 436.581 4.743 30 10 IJEE COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s2)cc1 503065297 LIBAGKHBESGUFV-IQMFZBJNSA-N 443.569 4.566 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(c2ccnn2C)CC1 508470706 DDWCJCZXUGWKKS-UHFFFAOYSA-N 434.588 4.592 30 10 IJEE CC1(C#N)CCN(C(=O)c2cccnc2SCc2ccc(Br)cc2)CC1 509368605 HLJLEJAQRGOQPY-UHFFFAOYSA-N 430.371 4.902 30 10 IJEE N#C[C@@H](C(=O)c1cc2c(nc1O)CCCC2=O)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 515542436 NUGUWXBIRMFHKJ-BYGQBDBRSA-N 447.560 4.721 30 10 IJEE CN1CCC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H]1c1cccs1 524642760 FLYHCQMQIUNTKW-WZONZLPQSA-N 435.549 4.605 30 10 IJEE Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(SCc3ccco3)C2=O)c1C 526667164 LQHOFDQZYYIJMF-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 549604302 ZDCHJBJVLWFOIL-PDIWNELESA-N 434.515 4.636 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 557596778 WAHBMLWLFWOZPK-UHFFFAOYSA-N 441.959 4.684 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 559005479 LJKROMQUPJFBMP-DNVCBOLYSA-N 442.361 4.578 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1CC 733200981 IOAGRAHRDHOMRI-JOCHJYFZSA-N 433.577 4.849 30 10 IJEE COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739594987 BUBJWIIYWIJUKT-UHFFFAOYSA-N 431.517 4.642 30 10 IJEE COc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1C#N 797487218 YBYQWIYTBCNKDN-SFHVURJKSA-N 432.293 4.515 30 10 IJEE O=C(C(=NNc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1cccs1 1081822570 WLRSSXQTQRTADL-UHFFFAOYSA-N 449.351 4.593 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1ccccc1C(F)(F)F 1083992530 NCAUMGHFICROKU-RTPNIQCSSA-N 446.458 4.665 30 10 IJEE CC(=O)NC[C@H](CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N)CC(C)C 1125971060 CRMWAPVFBSKPAE-FQEVSTJZSA-N 425.960 4.933 30 10 IJEE C=CCC[C@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)c1ccccc1 1127384820 TZWUPGKJVRGKAF-IBGZPJMESA-N 441.453 4.997 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 1136611024 WMNSYILJMJNKJY-ZWKOTPCHSA-N 434.968 4.802 30 10 IJEE COc1cccc([S@](=O)CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 1141625045 BRQLUSOPNUYDSF-URAOTHONSA-N 438.936 4.750 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2Oc2ccc(C)cc2)c1 1142198632 FKGIYBQRIADTQV-UHFFFAOYSA-N 447.556 4.557 30 10 IJEE O=C(NCc1nc(O)c2ccccc2n1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1160413028 YYRNMPVRTWOLOT-UHFFFAOYSA-N 447.310 4.555 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H](C)c3cccc(C#N)c3)cc2)cc1C 1162686145 ANGQNAYSAXAKHM-LJQANCHMSA-N 447.560 4.809 30 10 IJEE C=CC1(CC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CN(C(=O)OC(C)(C)C)C1 1163104815 OWVFSMGAABHUDV-MSOLQXFVSA-N 438.572 4.519 30 10 IJEE C#CCN(CCCOc1cccc(C#N)c1)[C@@H]1CCOc2ccc(Br)cc21 1167420396 CYUSQYGERNAZHH-OAQYLSRUSA-N 425.326 4.549 30 10 IJEE C=C1CCC(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 1177322280 QAZHYIIKAZYXHM-UHFFFAOYSA-N 427.888 4.977 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](CCCc2ccccc2)c2ccccc2)c1 1191664762 ZEYALOSIBWGTSN-VWLOTQADSA-N 425.532 4.670 30 10 IJEE COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)Nc4cc(C#N)c(F)cc4F)CC3)c2c1 1219885416 DCLZGGZTFHVILD-UHFFFAOYSA-N 438.434 4.516 30 10 IJEE C=C1CCN(C(=O)NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)CC1 1225627311 YPHYQMJXOVIAEJ-UHFFFAOYSA-N 445.357 4.898 30 10 IJEE C=C(C)[C@H](NC(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1)c1ccc(F)c(F)c1 1226646795 HZJKYNJRYAGFTP-CYFREDJKSA-N 443.538 4.515 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@](C)(O)c1ccccc1Br)c1ccc(F)c(F)c1 1234555667 MPJZATCIGHALTB-AZUAARDMSA-N 439.300 4.551 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1 1264906121 AYTUANDPAWTTKN-OAQYLSRUSA-N 435.549 4.799 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1266463700 WMPIDSCOEGEXMM-PZJWPPBQSA-N 430.470 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C1CC1)N(C)C 1286281587 KDEBQVJLGIWURW-JXFKEZNVSA-N 437.588 4.611 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C1CCCCC1)N(C)C 1286361506 PUHJGWYNPODYQU-XMSQKQJNSA-N 444.023 4.651 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OC1CCCC1 1286382269 XMSUTIHWENINPU-FYYLOGMGSA-N 436.600 4.636 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1286402502 DHCKCZITUNWZTK-DYESRHJHSA-N 442.966 4.652 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCCC(C)(C)C1 1286510236 MYBFCTWOKXZDIJ-UHFFFAOYSA-N 430.643 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(C(=O)NCC)CCC1 1286518309 SPAZWWGPXKMECV-AREMUKBSSA-N 447.627 4.541 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1286534727 CNUNEFHEQBITKX-SUMWQHHRSA-N 439.785 4.932 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1286536686 RLEKEDRAVXYNBN-CYBMUJFWSA-N 434.338 4.777 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286593658 SZMUJBBBJCIEBD-IBGZPJMESA-N 441.938 4.680 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1286604949 FDOKEQLRENPVJG-UPVQGACJSA-N 447.583 4.537 30 10 IJEE C=C(Cn1c(CC)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1 1286616906 FSNDYFHTZMDBRY-UHFFFAOYSA-N 443.382 4.582 30 10 IJEE C=C(Cl)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cnn(CC)c1 1286622033 BGHPAOWJKMHENB-UHFFFAOYSA-N 431.009 4.881 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(C(=O)NCC)CCC2)CC1 1286640719 NMFUJOJTMVGBTR-UHFFFAOYSA-N 448.398 4.715 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2cc(Br)cs2)CC1 1286654979 MQZKJRBGGPRSHE-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)c1nccs1)c1ccccc1 1286680229 XHIVEXLXDLIERG-QUCCMNQESA-N 447.612 4.735 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](CC(C)C)C1 1286686062 BBOLLDRBKXSLHQ-NRFANRHFSA-N 437.636 4.681 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1286704375 SAZOELAWTJSFRS-UHFFFAOYSA-N 440.588 4.562 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(Cn2cccn2)CC1 1286704602 XETHOGMLAKWCKQ-UHFFFAOYSA-N 434.588 4.553 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cscc1C(F)(F)F 1286715003 AGAZFGQHNNMWKV-UHFFFAOYSA-N 449.502 4.898 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCSC1 1286745379 VHRXDPMZOHEEIZ-HXUWFJFHSA-N 439.654 4.970 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1286769072 OSIBWMZOPKBHET-SFHVURJKSA-N 441.988 4.623 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286796757 VRZBMULGRZTARA-FGZHOGPDSA-N 435.572 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCN(CC)C(=O)OC(C)(C)C 1300275259 SBEAJAIBHFNLCF-FPOVZHCZSA-N 439.604 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N1CCCC1 1300286409 JSQFXPGAANVSMP-UZLBHIALSA-N 441.938 4.626 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC12CCC(CC1)C2 1300654085 SUEDULNRCWESFI-AGHUKTAOSA-N 436.600 4.701 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1300829410 BVUMXBIFDKANKB-TXEJJXNPSA-N 440.183 4.708 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N(CC)[C@H](C)C1CCC1 1300857455 UZQPOLYHFBISIM-QGZVFWFLSA-N 433.394 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1ccsc1)N(C)C 1300905762 DXLLHECTZIUPNM-NRFANRHFSA-N 425.602 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(-c2ccsc2)nc1 1300919118 VTKQTWQCOLQNGA-UHFFFAOYSA-N 430.581 4.838 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1Cc1cccs1 1301019063 DYEOCLJRTHSBQG-KRWDZBQOSA-N 444.988 4.988 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1301196695 HWAUNPXYPXGVRL-HXUWFJFHSA-N 442.007 4.987 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCn1nc(C)cc1C 1301308457 DQUYBIPDIDOOQB-UHFFFAOYSA-N 449.386 4.690 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccncc1Cl 1301308525 FTLMWJLJMBPEQS-UHFFFAOYSA-N 438.746 4.883 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1Cc1cccs1 1301473733 JUAJBSUSAOCWDB-MJGOQNOKSA-N 443.617 4.809 30 10 IJEE CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccccc1F 1305830405 FBMJZAWBTGGMAN-MEKIYTOJSA-N 441.551 4.646 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1 1307561268 KXMDJHBTUFDCKU-OAQYLSRUSA-N 438.593 4.905 30 10 IJEE CCOC(=O)c1sc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)nc1-c1ccccc1 1351547531 AGBJLCCGNXMGJB-UHFFFAOYSA-N 435.505 4.655 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 1352894800 ABZZHQKNPASTFB-UHFFFAOYSA-N 446.503 4.702 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1358384712 MTVQDMTXZMQUEZ-SANMLTNESA-N 438.543 4.919 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSC(F)(F)F 1358878098 QEKGTOUNTFSMGN-CHWSQXEVSA-N 428.549 4.842 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOCC2(CC2)C1 1359117413 ZATLVFKAXYOCRV-GOSISDBHSA-N 430.980 4.881 30 10 IJEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1359130414 JINIXBDEFLYSRB-UHFFFAOYSA-N 433.556 4.558 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(Br)o1 1359153920 XIYKQLUDXYGSFF-UHFFFAOYSA-N 427.755 4.675 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2c(C)noc2C)CC1 1359176107 MLATVJHEAKLEII-AWEZNQCLSA-N 426.952 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)N(CC)CC)CC1 1359176573 GEXBDHDSPFKGDE-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(Nc2cccnn2)CC1 1359189827 WMTXRFCAXWAHHV-UHFFFAOYSA-N 445.615 4.651 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCCN(C(=O)c2ccsc2)CC1)c1ccccc1 1359196004 VVOQXINLWYLFNO-OAQYLSRUSA-N 449.624 4.614 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)c1ccc(OC)c(OC)c1)C1CC1 1359249752 OIWKZPHBCPVTSA-UHFFFAOYSA-N 447.583 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1Cc1cn2ccsc2n1 1359255864 MYPOMZSEJXOWDZ-KRWDZBQOSA-N 431.569 4.613 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1359259517 YDWHOOQHISHOME-UHFFFAOYSA-N 437.632 4.850 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCOC1 1359263500 CXJXGLIMTSQYAA-KRWDZBQOSA-N 444.551 4.828 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCC1(F)F 1359271155 MUIUAJHFJRIWAJ-INIZCTEOSA-N 440.498 4.598 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359284161 VPMVXSDWBHGHGK-PBHICJAKSA-N 442.188 4.914 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Nc2ccccc2)cc1 1448672065 JBDAQTXLMPJIGZ-UHFFFAOYSA-N 441.940 4.800 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 1455928412 PRYQAJVBSMGSIV-UHFFFAOYSA-N 448.544 4.645 30 10 IJEE COc1ccc(Cl)cc1C[C@H]1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 1459523298 DITWUZCYRRJRPU-DOTOQJQBSA-N 429.948 4.712 30 10 IJEE COc1ccc2c(c1)[C@H](N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1)CCO2 1459569264 IEGVPELGSCARAR-RUZDIDTESA-N 441.531 4.921 30 10 IJEE CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1460398361 BMJVHKXDRFBLHG-DEOSSOPVSA-N 425.532 4.660 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 1460843534 IGVYNIBYITZVHV-OAQYLSRUSA-N 429.557 4.606 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 1461147056 GYBKEDXUHQDOEF-GFCCVEGCSA-N 448.338 4.968 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(Cl)cc(Br)c1OC 1463099198 NDLBHLLWQBZZQH-UHFFFAOYSA-N 436.799 4.868 30 10 IJEE Cc1cccc(COc2ccc(CNS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)c1 1463508833 FXATVFUKBZJDBY-UHFFFAOYSA-N 426.925 4.578 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2F)nc2sc3c(c2c1=O)CCCC3 1472931013 DJNMHQYPHHSZBE-UHFFFAOYSA-N 444.553 4.741 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(NC(C)=O)cc2OC)cc1OC 1474075819 CHDURAIJPQBDAT-UHFFFAOYSA-N 435.318 4.602 30 10 IJEE C#CCOc1ccc(CNCc2cc(Br)c([C@@H](C)OCOC)cc2F)cc1 1474152011 ZIISDVDJZKYPFB-OAHLLOKOSA-N 436.321 4.572 30 10 IJEE C=CCC[C@H](CCC)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1474476118 VMTMYLLIMFAHOB-PMACEKPBSA-N 426.386 4.980 30 10 IJEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)N1CCC[C@@H](C)C1 1493695703 GUVHPRXDLSGSCS-QTEQDKRBSA-N 434.632 4.810 30 10 IJEE CCC(CC)[C@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1496613912 FKWZVRHLFQOJKK-DHLKQENFSA-N 441.595 4.979 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1CCC(C(F)(F)F)CC1 1507541337 LVMNEONCGBJYGI-QHGAOEGBSA-N 448.533 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OC(C)C)nc1 1507546519 KSDWPEHGBWDCHI-IBGZPJMESA-N 435.597 4.567 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCc1ccc(OC)cc1 1507800057 UAAGJDNDFSSJBV-ZJSXRUAMSA-N 440.632 4.926 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1507828246 YIRDKLYYKBQCGZ-SFTDATJTSA-N 440.588 4.857 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1507828415 CPDCPEVJYWUMLN-QGZVFWFLSA-N 446.477 4.587 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CSCCS2)CC1 1507901436 JHQNJLDGRRERLL-IBGZPJMESA-N 435.062 4.773 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1507952803 CASXKWVVDHAVAK-YPAWHYETSA-N 442.579 4.880 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1507990993 QVAUKZBKXHZISR-AUSIDOKSSA-N 440.588 4.568 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cc(C)cs1 1508061283 NFAORRZQQUNXSZ-UHFFFAOYSA-N 431.606 4.585 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OCC)C1 1508109076 ODZICIVPCOLNJP-NRFANRHFSA-N 438.597 4.549 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCOC2(CCCCC2)C1 1508151483 NGIZZLDQQPKDDE-UHFFFAOYSA-N 426.630 4.966 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1510288412 GRLXOZBAVHXDII-KOSHJBKYSA-N 425.552 4.953 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)C1(C)C 1516375296 CNHMDLTWACTUKL-ROUUACIJSA-N 435.494 4.799 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C)c(N2CCOCC2)c1 1527806557 CSIQLXVLUWODOB-UHFFFAOYSA-N 447.348 4.562 30 10 IJEE C#CCN(C(=O)CO[C@@H]1CCCC[C@H]1CC)[C@H]1CCOc2ccc(Br)cc21 1531554530 VXZRXOLFVDSWCG-LSTHTHJFSA-N 434.374 4.720 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@]2(C)CC2(C)C)c1 1533095801 SNJYXSUURYYGBU-JOCHJYFZSA-N 432.973 4.640 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 1538241011 GLNCMWDFTALQLQ-UHFFFAOYSA-N 431.879 4.728 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCCN1CCCC[C@H]1C 1539196531 QFMYRHJFTLCWSC-LJQANCHMSA-N 446.064 4.948 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCSCC(F)(F)F 1539347875 ZAKMTOPUIYAKDR-UHFFFAOYSA-N 433.503 4.557 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1539382810 SLTCOVDSZNUPRQ-ZJSXRUAMSA-N 438.616 4.720 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCO1 1539677516 GERWWKSTGMUWCA-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539909848 QOKJRMDNDZEPOR-AREMUKBSSA-N 448.615 4.595 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539921098 QRJKFVQVEQWKIW-HXUWFJFHSA-N 439.623 4.921 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1539959669 NPQVNFAAEKLUHY-UHFFFAOYSA-N 445.615 4.850 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1539971667 NYPOQJXMQQCCIE-XMMPIXPASA-N 431.584 4.761 30 10 IJEE C=CCCCCn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1539975359 SNNOIAMJWGSVMG-XMMPIXPASA-N 445.007 4.891 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1539991820 SJBYSHADZRMZMU-UHFFFAOYSA-N 449.990 4.844 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](c1ccsc1)N(C)C 1540049572 OHWDHDAFTJYQCZ-APWZRJJASA-N 429.565 4.544 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCN(CC)C(C)C)C1CC1 1540102335 JIOXCAHQYZEYQQ-UHFFFAOYSA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@H](C)c1nc(C)cs1 1540133419 FVTAJZJPNDYORI-INIZCTEOSA-N 449.559 4.635 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC1(SC)CCN(C)CC1 1540134677 XRKFJZWFMJEEQA-UHFFFAOYSA-N 445.652 4.735 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCCc2sccc2C1 1540860199 SADXIHDRRFDKLL-UHFFFAOYSA-N 445.386 4.820 30 10 IJEE C=C(CC(C)C)C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1542672535 YYEVARSMBCCHTK-UHFFFAOYSA-N 430.545 4.784 30 10 IJEE C#CCC1(C(=O)Nc2nc(C(F)(F)F)c(I)s2)CCCCC1 1544900874 CKQAPTCFARYZPT-UHFFFAOYSA-N 442.244 4.679 30 10 IJEE COc1ccccc1[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC#N)OC(C)C 1555036332 CNPQONLXFOOWII-WMZHIEFXSA-N 448.571 4.562 30 10 IJEE C=C[C@H](CC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1ccccc1 1556857928 NRRGRGQNYWUROY-YLJYHZDGSA-N 425.878 4.994 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 1566381726 CJQYABMBHPAVBY-PKOBYXMFSA-N 441.597 4.945 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(Cl)c3OCC(F)F)n[nH]2)c1C 1569936272 LYKRRCQFNZPWKR-UHFFFAOYSA-N 435.862 4.626 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1 1583510675 LEEAQELFZPDAEG-UHFFFAOYSA-N 426.516 4.564 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(I)c1O 1586882026 NCTWVVXHVCCACD-UHFFFAOYSA-N 433.698 4.540 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1sccc1C 1588089237 HBKDYJJNGDWBSC-UHFFFAOYSA-N 443.601 4.868 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1c(C)noc1C 1588280121 GPECKGZTYGTOLD-HZPDHXFCSA-N 437.613 4.999 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1588550770 XOIIZAPAICZNHJ-LEWJYISDSA-N 437.607 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)N2CCCCCC2)CC1 1594064244 LDBGSRLQPYNLNB-UHFFFAOYSA-N 445.970 4.687 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1594247012 DYACSYHLJYCMEW-PMACEKPBSA-N 425.596 4.531 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(CC)C1)c1ccccc1 1594552021 FAIYZEFTHJGRFZ-GJZUVCINSA-N 431.584 4.629 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N1CCC[C@H](C)C1 1594896301 VMANUJNHLRTEAB-GBESFXJTSA-N 427.662 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CCCS1 1594914075 WABHFCLOBDTQGV-SFHVURJKSA-N 425.371 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(Cl)cc1 1595184760 AYHNDKSTMNBGFY-UHFFFAOYSA-N 432.753 4.916 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1Cc1noc2c1CCCC2 1595229621 VIZGBAAUQYYHRA-UHFFFAOYSA-N 433.556 4.567 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 1595239977 YSINCMFPVAJSLN-UHFFFAOYSA-N 429.549 4.678 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 1597799931 FQLNYMNGPBKJCW-OAHLLOKOSA-N 438.062 4.960 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc21 1615748966 MIYKRXQPRZQIJP-AREMUKBSSA-N 440.547 4.698 30 10 IJEE C=CCOc1ccc(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2F)cc1OC 1620994000 YZUMRBYBJNEWCY-UHFFFAOYSA-N 430.520 4.714 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(Br)cc2)c1 1621744860 SQRZXNVVNLJPOC-UHFFFAOYSA-N 432.364 4.887 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1622346670 JVBKOWRMOWCVNF-ABAIWWIYSA-N 426.298 4.881 30 10 IJEE CN(CCN(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)OC(C)(C)C 1623140021 DUALMRHEOJRKRX-UHFFFAOYSA-N 443.931 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 1624625076 WFLNTJDKOJYYRI-OAUYIBNBSA-N 430.763 4.860 30 10 IJEE C=CCN(C(=O)c1cccc(Nc2nccs2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1625224508 NSVJTHKXVSIFRZ-OAQYLSRUSA-N 435.549 4.689 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cc1C 1625644371 FLQBCPGXYWOCKN-JOCHJYFZSA-N 433.508 4.542 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](C(=O)NCCCCCC)C1 1627166656 SAZQLRXDYREDAV-KRWDZBQOSA-N 440.506 4.819 30 10 IJEE C#CCN(C(=O)c1cccc(-c2cnco2)c1)[C@@H]1CCOc2ccc(Br)cc21 1629238657 RCODPRTWCXQIBG-LJQANCHMSA-N 437.293 4.703 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 1630287400 ZTFSXDUSEYXBCP-KRWDZBQOSA-N 430.467 4.793 30 10 IJEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(CC)CC)cc1 1634762002 IEKQFAVJKAYDBC-QFIPXVFZSA-N 447.000 4.501 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 1640202697 WGRKIAUDADNOST-QGZVFWFLSA-N 442.478 4.940 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H]1CCCN(C(=O)C(C)(C)C)C1 1641019095 KDEMFBSLBMQFNW-IBGZPJMESA-N 442.629 4.728 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(OC)[C@H](C)c3cccc(C(F)(F)F)c3)n[nH]2)c1C 1645911806 LKNHKAROUIECOI-CQSZACIVSA-N 447.461 4.860 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CCCC1(C)C 1649411634 DONZVJSVGLNCMD-APWZRJJASA-N 425.495 4.940 30 10 IJEE C=CCn1c(SCc2csc(-c3ccn(C)n3)n2)nnc1-c1ccc(Cl)cc1 1651593910 INBZUUAZQYEJSZ-UHFFFAOYSA-N 428.974 4.934 30 10 IJEE COC(=O)c1ccc(-c2nc(COc3cc(Br)ccc3C#N)cs2)cc1 1652027311 FDJGJMWOSSMCDG-UHFFFAOYSA-N 429.295 4.810 30 10 IJEE Cc1ccc([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 1654328558 HOBFTAFXSQCXNN-ICSRJNTNSA-N 433.371 4.586 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1668939009 NKUXVQWWAPNECG-CTNGQTDRSA-N 441.572 4.732 30 10 IJEE COC(=O)C[C@@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c1ccc(SC)cc1 1671569841 CDHBTTCXEQDAGK-LJQANCHMSA-N 441.553 4.883 30 10 IJEE C=C[C@H](COC)NC(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1671966673 JLIJXNTUOVNFSX-LJQANCHMSA-N 435.362 4.602 30 10 IJEE C=CC[C@@H](CC)NC(=O)N[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1672200987 DRHHFSMXPRJSRH-UYAOXDASSA-N 443.588 4.934 30 10 IJEE C=CC(C)(C)CNC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 1672782260 LHALUJYSNUEKMH-UHFFFAOYSA-N 433.350 4.600 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 1676298429 HIJZXUQQMIHUFP-STWLZBDKSA-N 427.589 4.752 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1681941908 FNHWBELQESLFFM-DNVJHFABSA-N 441.616 4.852 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)C1 1684078273 VCRUMWNEAFIIFD-KRWDZBQOSA-N 445.485 4.737 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccc(C)nc1 1689837171 ADRUOYYZGMWREP-AWEZNQCLSA-N 444.764 4.571 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCOc1ccccc1C 1689838352 YIEQCDNMGGGKTA-OAHLLOKOSA-N 445.386 4.614 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C(C)(C)C)CC1 1690241526 TVDFJPNEDROGQH-FYYLOGMGSA-N 431.584 4.981 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(F)(F)F)cc2)CC1 1690394521 CJDGPGUSYCFSRD-UHFFFAOYSA-N 449.521 4.666 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2cc(C)no2)CC1 1690397040 UERZRDNPPYDRCA-GOSISDBHSA-N 437.544 4.564 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(Br)cs2)CC1 1690410835 ZMRZQAUSXNCSLP-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C)n(C)c1=O 1690446742 FMFISKJESCDVRW-UHFFFAOYSA-N 439.991 4.837 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690476644 KHNQVVAZYIGXBT-QGZVFWFLSA-N 440.954 4.814 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1noc2c1CCCC2 1690558601 VVYHZAVRJHOOJP-UHFFFAOYSA-N 430.556 4.555 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](SC)C(C)(C)C)C1 1690711617 DVHJAOLKPMEZJS-SFTDATJTSA-N 444.645 4.725 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C)(COC)CC1 1690740516 XYQIKQNLYQRISB-UHFFFAOYSA-N 439.629 4.609 30 10 IJEE Cc1noc(C)c1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C#N)CC1 1693534710 GBSDFEKGUYTIFG-UHFFFAOYSA-N 448.571 4.548 30 10 IJEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1696756205 DICNYGAEXVZBCU-YSIASYRMSA-N 447.505 4.973 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C[C@@H]4CCOC4)C3)n2CCCC(F)(F)F)cc1 1698487193 CYNTZRQFAVLDRV-MOPGFXCFSA-N 447.505 4.802 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@](C)(O)[C@@H](C)CC 1705502303 DUGVOXBFDKJSLA-RLSLOFABSA-N 426.605 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(c2ccccc2CO)CC1 1705694050 NJRSCTIIGLBKTR-IZIIKQMZSA-N 438.616 4.649 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CCC)CCc1cccs1 1705704588 WWUHYOGDNYJANH-RBBKRZOGSA-N 437.613 4.842 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1705776691 MXUZFVAWCJVAMH-DNVFCKCGSA-N 440.588 4.644 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@H]2C)CC1 1705777587 HHYBPXCYFWOQQW-AEFFLSMTSA-N 430.980 4.682 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705782941 MSGKLNOZFBUPKX-ICSRJNTNSA-N 445.652 4.915 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705786155 HOUNVRBEAUQVTC-GOTSBHOMSA-N 448.615 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCOCC2)C1 1705794782 TYAPLGXPCDKYBY-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705803268 KZBPFVYMMQXRNZ-CRAIPNDOSA-N 438.494 4.953 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@H]1C 1705834350 JFGQKVNOGPPZQX-IFMALSPDSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1OCCC1(C)C 1705868071 AMWNYYORLAZOBL-LJQANCHMSA-N 428.627 5.000 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1705875418 RJTMVXSKIVOBNG-AHWVRZQESA-N 443.595 4.919 30 10 IJEE CCC(O)(CC)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1708817913 BXMPKLOIWPQAAF-SBUREZEXSA-N 441.645 4.813 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1sccc1C 1708949079 GAOUMXYHMWSYCJ-DEOSSOPVSA-N 435.597 4.968 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)CCCOCc1ccccc1 1722484220 UAKFRXQKJDSXEF-UHFFFAOYSA-N 433.394 4.887 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722602394 ZLQZKICCDYWUOW-UHFFFAOYSA-N 439.585 4.617 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 1722604733 JGXGNXOYLUEDTP-UHFFFAOYSA-N 436.579 4.965 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1722607739 HMFWTGXQOGCHMJ-ZEQRLZLVSA-N 447.583 4.524 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722634317 CNPBPAJIHABIOE-JKSUJKDBSA-N 445.633 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCOC1CCCCCC1 1722663728 GNRKNXAXEOXJAX-IBGZPJMESA-N 430.618 4.776 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722684358 MSKYQJCVTBBRHJ-INIZCTEOSA-N 449.393 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1ncc(C)s1 1740544417 CVSUJJINGGEUDC-ZIAGYGMSSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1740568011 YFASSXZQHGFNDO-NQIIRXRSSA-N 442.007 4.680 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCOC1CCCCCC1 1740678262 HDRLHCQMSYVAST-HSZRJFAPSA-N 440.563 4.648 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(C#N)CC1 1740788290 RFDVGJZXPUUROJ-OAQYLSRUSA-N 437.588 4.758 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740804736 GOBHFIAGNJRCPZ-SJORKVTESA-N 449.983 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740844668 QFASWHOYVYHSKV-UXHICEINSA-N 449.599 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740851346 TWYVEOQRYUCCMW-HXUWFJFHSA-N 429.653 4.554 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCC 1740863194 RLBKANLGQJBMQB-MOPGFXCFSA-N 435.613 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(O)(CCC)CCC 1740893333 GJIDDWZXTGIYEX-UHFFFAOYSA-N 439.373 4.800 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H](O)C1 1740914346 PRCIMXBGWRXBKV-PKTZIBPZSA-N 438.616 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc3cccnc23)n1C[C@H](F)COC 1740921947 PCKYPRSOSRJECX-SFHVURJKSA-N 437.544 4.732 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1740934034 PGFBBOBNEJJMTQ-AREMUKBSSA-N 436.600 4.928 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)OC(C)(C)C1 1748706669 PLMXWMDWINGCQD-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1748709524 YHCWLPNFRAJZDL-FQEVSTJZSA-N 433.531 4.639 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1749268855 IIQBIAZGDKEPFK-NJDAHSKKSA-N 430.980 4.529 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1749439621 FCYJTZBGZOXFFT-NRFANRHFSA-N 425.646 4.910 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1749538841 NOIBQVOINWUCJE-IBGZPJMESA-N 439.604 4.994 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1cccc(C)c1 1749551022 PFKMDAUKQXXYRO-RXVVDRJESA-N 435.597 4.595 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1749592289 GKSGRSPFMOKOLW-KOUNCHBCSA-N 438.616 4.591 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@H]1CSc2ccccc21 1750791876 BRDJGWCNRNOASS-HXUWFJFHSA-N 432.597 4.996 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 1751064000 FGVPTXLFMHNWHA-PKOBYXMFSA-N 439.361 4.761 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)s1 1760136588 ZAKOOSUNKJDSEL-UHFFFAOYSA-N 432.391 4.548 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760161404 JCTCXIUOLSBHIZ-FPOVZHCZSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1760217414 ALCDLNZWVPKACX-UHFFFAOYSA-N 440.975 4.508 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1760321034 AUKKMMWGAIAPPT-LRXVAGHRSA-N 445.007 4.507 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN(CC)C(C)C)CC1 1760382522 SCFSCFPZSSDOOA-IBGZPJMESA-N 432.012 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC[C@H]2CCOC2)CC1 1760384539 BKQSGEPZEYFROP-OAQYLSRUSA-N 438.616 4.842 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCN2CCCC2)CC1 1760384754 GRGUMWRREYEUQJ-UHFFFAOYSA-N 444.421 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(COC)CC1 1760415013 LKFBZYGVHYZPIV-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1OCCC1(C)C 1760467411 YXNFELDGERDGRV-QGZVFWFLSA-N 425.360 4.601 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC(F)(F)F 1760477943 PEWCFLSVIBSJRU-UHFFFAOYSA-N 437.853 4.757 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(OC)CCCCC1 1760490584 AZIZDQSRPLDWBU-UHFFFAOYSA-N 432.572 4.863 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1CCc2ccccc2C1 1760491626 NXKUBVPGXZHUFP-UHFFFAOYSA-N 431.584 4.862 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H]2C[C@H](OCC)C2(C)C)cc1 1760530028 ONSQVIAIKVKRRB-YADHBBJMSA-N 435.572 4.526 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC)c2ccccc2)C1 1760538097 WBHURAZMTGCMKN-NQIIRXRSSA-N 437.975 4.969 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCSC1 1761518082 DAOONBJXSFQUFR-PKOBYXMFSA-N 443.592 4.830 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)CC1 1766101427 HNCLFHPDBBRQNG-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)nc1 1766750606 AWNYNJZSYWTBHM-UHFFFAOYSA-N 444.564 4.569 30 10 IJEE CN(C(=O)COc1ccc(Cl)cc1Cl)[C@H](C#N)c1cccc(Br)c1 1857960577 NHXFAQHLXKTFNH-OAHLLOKOSA-N 428.113 4.858 30 10 IJEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)c1 1858898683 LWAGBPZMAZTPMG-UHFFFAOYSA-N 435.867 4.518 30 10 IJEE Cc1noc(NS(=O)(=O)c2ccc(Nc3nccc(-c4ccccc4)c3C#N)cc2)c1C 1859839943 ZQEJZLLDVSDYOA-UHFFFAOYSA-N 445.504 4.770 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)c1C 1860322566 UNHPZMWYMXVTRR-VWLOTQADSA-N 427.552 4.791 30 10 IJEE N#Cc1ccc(NC(=O)CCCCCNC(=O)CCc2ccc(Br)cc2)cc1 1860894731 IZCCHUOCGBUYGC-UHFFFAOYSA-N 442.357 4.569 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861668146 FIEDITYSCORJLA-YLJYHZDGSA-N 443.053 4.822 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1Cl 1862381378 YOYGKZBIBPXHRY-BMLIUANNSA-N 440.710 4.606 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862447088 HQTCGZBFEBQQMD-IBGZPJMESA-N 425.868 4.559 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccccc2)c1 1862486974 PFRGUQNAMAACIY-DEOSSOPVSA-N 432.564 4.758 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)cc2Cl)c1 1862498783 QKYVOGNNHDODNO-YJYMSZOUSA-N 434.319 4.569 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc3ccccc23)ccc1F 1862506334 ZASWYZSJGRGWMR-XMMPIXPASA-N 446.522 4.817 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862518792 TXCYPWADEJWUMN-VFNWGFHPSA-N 438.480 4.760 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862585426 WGSDCCQZHZANDH-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862591602 KIYTXSJZXVAXHK-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649952 KHEXEJGZYTWHPM-WMZHIEFXSA-N 431.463 4.736 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC)cc1OCC 1862684410 WAKKSDHTSMUCRC-NRFANRHFSA-N 427.472 4.611 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862687122 GDOFFMKXEQOTOF-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1Br 1862693633 PRVVEQGSYJSDRH-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(C)c2)c1 1862699759 YDTWJADFTOBWRO-QFIPXVFZSA-N 433.529 4.886 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(C)cc2)cc1 1862746584 GXRZVVMYVWPLRG-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C)c(Cl)c2)C(=O)N(c2ccccc2C#N)C1=O 1863065627 XPLWDCJMYJUZET-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE Cc1cccc(OCC(=O)Nc2c(Br)cc(C#N)cc2Br)c1C 1865928433 CYRBWZNGHIQZHO-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/C(=O)c1cccc(OC)c1 1866232958 GYMOUBXBNDOGDX-OUKQBFOZSA-N 435.501 4.978 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CCCOc1ccccc1Cl 1870144872 MJNMIGOUVCVFBG-UHFFFAOYSA-N 449.820 4.609 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 1870145377 XMTRURHAWBODFV-UHFFFAOYSA-N 437.931 4.769 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1cc(C)cc(C)c1 1871191265 SBRZJAIUPAPFEW-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE COc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)cc1OC 1871251397 CKDFTZLVPGUUAV-UHFFFAOYSA-N 447.535 4.584 30 10 IJEE CCOc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC)cc1OCC 1871251995 GBSHBGSSKYAOMA-UHFFFAOYSA-N 447.535 4.728 30 10 IJEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C)c1 1871254529 ZXPMWODVZJWGOY-UHFFFAOYSA-N 444.579 4.561 30 10 IJEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1O/C(=C\c1cccnc1)C2=O 1871372913 QYYMOQDKQSEHPL-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(=O)O)cc(C)c3C2=O)cc1 1871430060 AWKKDNPCAAEMHT-UUYOSTAYSA-N 443.455 4.635 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(F)cccc4F)ccc3C2=O)cc1 1871440609 YCAJALFYEBATJG-NHDPSOOVSA-N 437.398 4.607 30 10 IJEE C=CCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 1871522956 ZIRIZKVVNXLPIV-UHFFFAOYSA-N 434.975 4.748 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871759227 KHHIQYVXSGWNLU-QFIPXVFZSA-N 446.638 4.549 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1871841446 NAGFIKQOQXTPNY-IBGZPJMESA-N 436.533 4.683 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1871862787 OWZATEKANICLMF-QHCPKHFHSA-N 438.524 4.773 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657394 CGSKJXRQIGMANF-HNNXBMFYSA-N 439.947 4.768 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc[nH]2)c1 1874308132 ICNJLTVVQGAUBU-WGOQTCKBSA-N 431.565 4.883 30 10 IJEE Cc1ccc(Cc2nnc(SCCO)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1C 1874360527 KQUKHFLJDBMXCY-FSJBWODESA-N 435.380 4.759 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COC)nnc1SCc1cccc(Cl)c1 1874506267 VGVRBCQWMNVQET-YDZHTSKRSA-N 428.945 4.817 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)C)cc(OC)c1O 1874511946 SXFVTVJTIUNZKA-FSJBWODESA-N 426.542 4.607 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccccc2)c(C)c1C 1874586559 SUOKEZCNIOIKIB-FYWRMAATSA-N 429.516 4.903 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OCC(=O)OCC(C)C)c2)cc1C 1874600030 PBYOINCXZHCWCO-VQHVLOKHSA-N 426.509 4.795 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3cc(F)ccc3F)cc2)cc1F 1875152970 WKXQUCWMQLXZFL-ONNFQVAWSA-N 442.389 4.993 30 10 IJEE CCC[C@@]1(C)CSC(=Nc2ccc(I)cc2Br)N1 2029945312 NNBPYNQTOWKWGP-ZDUSSCGKSA-N 439.160 4.936 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Cc2ccc(Cl)c(Br)c2F)C1 2047924458 DFCCDGYTTNNZQQ-LBPRGKRZSA-N 432.717 4.967 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2066142174 PPHCRQFQKBSSSX-VXKWHMMOSA-N 448.568 4.997 30 10 IJEE O=C(NC1CC1)c1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1Cl 2079245775 NGWOGKSFQVCDHK-UHFFFAOYSA-N 429.723 4.654 30 10 IJEE CC(C)(C)c1nn2c(Cl)cc(-c3ccc(I)cc3)nc2c1C#N 2081181317 QOMBCTUIJXPFJB-UHFFFAOYSA-N 436.684 4.823 30 10 IJEE C=CCC1([C@H](N)Cc2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2110509374 JIJPQUSKUPKHFP-CQSZACIVSA-N 447.776 4.925 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCCN(c2cc(Br)cc(F)c2C#N)C1 2118201543 RJYKSHTVUKYDGQ-CYBMUJFWSA-N 426.330 4.591 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1ccc(OC)cc1NC(=O)OC(C)(C)C 2124463150 NAPCLCVUTQUINK-UHFFFAOYSA-N 425.323 4.579 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)c1 2124522348 RQFBHXBAUPJSHP-UHFFFAOYSA-N 442.365 4.827 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)C(C)(C)C1 2181106867 APABKBDGIZYBIK-CQSZACIVSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Nc1cc(Br)c(C#N)cc1F)C2 2193304431 ZYUVDKSDYCDGHX-SPOWBLRKSA-N 442.304 4.750 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CSCCSC1 2215579773 IXSKHQXJLIHSJO-UHFFFAOYSA-N 429.405 4.933 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CC(F)(F)F)C(=O)C#Cc1ccccc1Br 2227470764 AXAWHMDFVYUVQN-KRWDZBQOSA-N 434.252 4.606 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2235723277 BLQJFQPRFIVYJE-NLWGTHIKSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2235725119 MZVBSQRNBMDGPP-RTBURBONSA-N 435.406 4.958 30 10 IJEE COc1cc([C@H](N)C#Cc2ccccc2Br)ccc1NC(=O)OC(C)(C)C 2235726015 XEBJFZFXOFEOOG-QGZVFWFLSA-N 431.330 4.856 30 10 IJEE C=C(C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)OC 2237417261 NUZWGFACNHBDLS-RTBURBONSA-N 441.410 4.803 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](COc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@@H]21 2240694306 YQWIOTCARLWTAP-KMFMINBZSA-N 436.350 4.663 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2240725770 KRBZNBSXCMVGAG-RNQOJCNYSA-N 434.374 4.730 30 10 IJEE N#Cc1ccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1 2243911279 QJAHBNATMOIXCL-UHFFFAOYSA-N 443.478 4.955 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)cc1Cl 2251311528 UWKKITWUWKRIPW-DHZHZOJOSA-N 436.745 4.604 30 10 IJEE CC1(C)OB(c2cccc(NCCc3cccc(OCc4ccccc4)c3)n2)OC1(C)C 2266746919 LDRUECTZMSTCPH-UHFFFAOYSA-N 430.357 4.614 30 10 IJEE CC1(C)OB(c2c(F)cccc2C(=O)N(Cc2ccccc2)c2ccccc2)OC1(C)C 2267413853 HEWNNFICWLPZAV-UHFFFAOYSA-N 431.316 4.972 30 10 IJEE C=CC[C@]1(COc2ncc(Br)c(C)n2)CCCN(C(=O)OC(C)(C)C)C1 2272147679 FGISLSXXSMTXEN-IBGZPJMESA-N 426.355 4.520 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@H](N)C#CC1CCCCC1 2289686135 HAFAYZOUTXANLY-UXHICEINSA-N 435.406 4.796 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CC=CCN1C(=O)OC(C)(C)C 2296219758 RGFBMBYKEILVTO-VQTJNVASSA-N 433.390 4.734 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C1(C)CC(NC(=O)OC(C)(C)C)C1 2296270818 BHOQRKQRQYJWLA-GSVIPDFHSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(N)C#Cc1cccc(Br)c1 2296276697 KTTKZZBFXSLYQG-XADJEIMESA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@H](N)C#Cc3ccc(Br)cc3)ccc21 2296279872 UBAYLBXTXXJPJK-LJQANCHMSA-N 427.342 4.798 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296296186 LEXLWGDDLWDPKE-OALUTQOASA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2296298582 LPXRXVYTVHKAPC-AQNXPRMDSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1 2296301283 SFAFDRSKFCOTFJ-WOIUINJBSA-N 435.406 4.862 30 10 IJEE CC(=O)c1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1 2297556154 IHBNLHWZEKMEAU-UHFFFAOYSA-N 432.457 4.739 30 10 IJEE O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cccc(Br)c3)o2)c([N+](=O)[O-])c1 2297708070 BPKPCBPPJZGWPX-UHFFFAOYSA-N 431.202 4.972 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2304626593 VEMUIUXKFXIDRK-TYBLODHISA-N 428.573 4.698 30 10 IJEE SC[C@H](COCc1ccc(I)c(Br)c1)C1CC1 2306305579 ZPXWUYOFYFIQAX-NSHDSACASA-N 427.145 4.526 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1 2314522289 CBBJHUUXURHUJJ-FQEVSTJZSA-N 449.334 4.516 30 10 IJEE COc1ccc(OC)c(C=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c1 2314548201 QBGPJBHVWRYXCR-UHFFFAOYSA-N 444.582 4.800 30 10 IJEE C[C@@H]1[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317350052 MWQUMYAGTROANL-SJLPKXTDSA-N 430.354 4.503 30 10 IJEE C[C@H]1[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317354118 MWQUMYAGTROANL-WMZOPIPTSA-N 430.354 4.503 30 10 IJEE CCCCCCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(N)=O)cc1 2322763129 ZIZWXRLLSAKLPM-UHFFFAOYSA-N 425.525 4.805 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2323589225 BNRWHHGDMFILBQ-UHFFFAOYSA-N 443.411 4.838 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323627995 ZNAXZCVRTMKXQD-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c([N+](=O)[O-])c2)c(C)c1 2323858294 CXAWIIUVFCRXTJ-UHFFFAOYSA-N 437.477 4.582 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2325383011 CQVHMSSFOVMCEU-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2325423930 UBKXULPJCYGPHA-OAHLLOKOSA-N 446.459 4.569 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc1OC 2326241128 XBVMZUYYEFGEOJ-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCCO)cc1 2326622115 BIFQGLWJDIKZQS-UHFFFAOYSA-N 430.577 4.746 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(F)cc1 2326661126 HGRSNYGIRHJSSH-UHFFFAOYSA-N 426.517 4.945 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2327576045 OURAOLMOAOTLQH-UHFFFAOYSA-N 430.917 4.593 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)CCc1ccc(OC)cc1Br 2339379422 HYNDKTAOTRFASB-ROUUACIJSA-N 427.383 4.577 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339601900 CPHBZSGQXOPRFI-OTWHNJEPSA-N 442.365 4.503 30 10 IJEE C[C@H](c1cscc1Br)N(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2371990096 AJCACXKYDWIFLS-LLVKDONJSA-N 441.175 4.541 30 10 IJEE COc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)c(OC)cc2OC)C3=O)cc1 33514118 NNFIYJXXMMRSRM-ROTLSHHCSA-N 448.471 4.916 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1 34954239 WVLMNXQZWGMQBB-XCVCLJGOSA-N 432.428 4.548 30 10 IJEE C=CCc1ccc(OCCCn2c([C@@H]3CC(=O)N(CC)C3)nc3ccccc32)c(OC)c1 40251050 BCOHEUOLUSFQSP-HXUWFJFHSA-N 433.552 4.578 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCN(Cc3ccccc3)CC2)C1=O 41584917 ANNMTQFVPCOIQJ-HAHDFKILSA-N 446.572 4.696 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCCCC2)C4)cc1 41646095 ZUFZQNYOSKAHBC-XKZIYDEJSA-N 433.504 4.882 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)c1 41654853 MVANDMNWGKTZMD-MSXFZWOLSA-N 447.462 4.811 30 10 IJEE C[C@@H](NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)c1ccccc1 59014544 UDKMPIPGRSBKIK-OWGFIJSYSA-N 449.367 4.527 30 10 IJEE C=CCn1c(SCc2nc(-c3ccccc3OC)no2)nc2cc(Cl)ccc2c1=O 69303365 QCVSMSYMGWQMKO-UHFFFAOYSA-N 440.912 4.587 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)o1 102430995 XWFXLLCVDOFSJT-RKKARLDVSA-N 430.504 4.902 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(O)cc2)c1C 169960931 QOQDJKRBAVNWLY-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)cc1 170009546 DLZVFXFVLHJVRW-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1F 170072023 GADIQKHNKYNCMM-JOCHJYFZSA-N 437.467 4.965 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1 170092389 JZCGPNRBMNGGKE-IBGZPJMESA-N 427.815 4.864 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 170140827 ISPFTMRGNADQPH-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170171355 KTDPHXMJIQFSAM-IBGZPJMESA-N 441.270 4.877 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccn1 170174811 JAIIPEYQTQRUDO-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccnc2)c(C)c1 170190509 KACDZLQETUMXGB-XMMPIXPASA-N 440.499 4.806 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC)c1 170217204 VWEJLSLHCNCELX-XMMPIXPASA-N 445.515 4.853 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1 170227572 OGHSFZGHMTWOPN-FYSMJZIKSA-N 441.483 4.802 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(O)c1 170264079 SNKXCUWXBBMSNA-XMMPIXPASA-N 445.515 4.939 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2sccc2C)cc1C(C)C 170312799 BKMPOUMCUZYXPA-FQEVSTJZSA-N 443.565 4.803 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2CCC)c1 170324225 JGNNRSWQEJBJFU-OAQYLSRUSA-N 441.911 4.902 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H]1c1cccs1 170478190 SMNWEPPDHLSCOR-QGZVFWFLSA-N 443.506 4.781 30 10 IJEE COc1ccc(/C=C2\S/C(=N\N=C/c3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 210555157 XGJNGTPKYBOXIP-VBARTGPDSA-N 435.480 4.934 30 10 IJEE CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 254843505 YGGVDHLBBHBBEH-CQSZACIVSA-N 448.519 4.575 30 10 IJEE C#CCOc1ccc(Br)cc1CNC(CC)(CC)CNC(=O)OC(C)(C)C 312271723 IWPDOWKVPZFGFB-UHFFFAOYSA-N 439.394 4.634 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 508953015 SRHFXFMJKQWQSP-LEWJYISDSA-N 440.906 4.511 30 10 IJEE C=CCn1c(CCC(C)C)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508998069 BZMYPTGZALCAMS-NRFANRHFSA-N 427.980 4.658 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 526484942 GQQKTRXUMOFSDS-HSZRJFAPSA-N 441.443 4.922 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1OC 526486840 QEMXZKDGBWLEDM-HSZRJFAPSA-N 430.460 4.924 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC(C)=O)cc2)c1 526490758 YEUPUYZEPQMFDS-XMMPIXPASA-N 440.455 4.549 30 10 IJEE COc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)c1 526656800 DLCTZLUHCIYASN-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cccs2)CC1 555439401 HTJQTZUOSHIBRP-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE N#Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)c1 586055660 WTLCQPPBVBOAOG-RUZDIDTESA-N 437.543 4.501 30 10 IJEE CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)n1 598954898 FKCCKVCHKSVSQK-JKSUJKDBSA-N 433.533 4.641 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 610304180 NORLBQHJJSSXQP-VWLOTQADSA-N 436.515 4.992 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 685547011 LYJBGOCGYVRQEA-PTLVVNQVSA-N 447.558 4.564 30 10 IJEE COc1ccc(/C=C(\C)C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1F 755042530 RSICQGGLRPIVMV-ASNKMWSDSA-N 442.512 4.814 30 10 IJEE C=CCOc1ccc(COC(=O)c2ncc(Br)cc2Br)cc1 763643363 DOHWEPOZUQTXOR-UHFFFAOYSA-N 427.092 4.528 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(C3SCCCS3)cc2)CC1 782757644 HTRZMMITTZNZFN-UHFFFAOYSA-N 439.606 4.942 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1ccccc1C 812179020 NVIAWIBNGOONSI-QHCPKHFHSA-N 445.567 4.931 30 10 IJEE Nn1c(NN=Cc2cccc(Cl)c2)nnc1SCc1ccc(Cl)c(Cl)c1 1084156189 YFFIESMCFFLXHQ-UHFFFAOYSA-N 427.748 4.690 30 10 IJEE Cc1ccc2nc(CSc3n[nH]c(NN=Cc4cc(Cl)cc(Cl)c4O)n3)[nH]c2c1 1084225645 WIJOKQBPEJFMOL-UHFFFAOYSA-N 448.339 4.740 30 10 IJEE CN(N=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1 1084428820 ZKXXFVFJGFBNMD-UHFFFAOYSA-N 434.337 4.879 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)cc2C1=O 1124505422 NDTLBTHJEUMBMJ-JOCHJYFZSA-N 430.891 4.641 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)ccc1F 1124733166 QPMRTIFOHJUQQN-UHFFFAOYSA-N 440.496 4.643 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C 1124868231 GHWWXSUIWJJCEG-HXUWFJFHSA-N 431.989 4.712 30 10 IJEE C=CCOc1ccc(CC(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1 1126509877 KQFSIKZZFBXHSU-QFIPXVFZSA-N 446.513 4.707 30 10 IJEE C[C@@H](NC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1127890341 APJKGNQPOGJNRL-NIYFSFCBSA-N 443.522 4.615 30 10 IJEE C#C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 1129735455 NXSFLITZZYZRQF-HNNXBMFYSA-N 443.784 4.699 30 10 IJEE C#C[C@H](NC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1)C(C)(C)C 1160297761 MKBLDUHOQLGQPS-VWLOTQADSA-N 444.575 4.812 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1C 1167186082 AUUOZNOBOKBXDZ-UHFFFAOYSA-N 443.595 4.793 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1 1176071349 XHBJKJIHAYCRTM-MRXNPFEDSA-N 429.383 4.884 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CC1 1177322947 YSPIOFZPXSWUEY-UHFFFAOYSA-N 442.581 4.671 30 10 IJEE C#CCN(c1nc(C)cc(C(F)(F)F)n1)[C@@H]1CCOc2ccc(Br)cc21 1185388152 ZUDPNENVGGMQEM-CQSZACIVSA-N 426.236 4.530 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)cc1Br)c1ccc(F)cc1 1197489770 ZILWNMLNUFFPOM-CQSZACIVSA-N 426.083 4.847 30 10 IJEE CC[C@@](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)(C(=O)OC)c1ccccc1 1197961961 DOYWYDZZAZIVNB-IGKIAQTJSA-N 441.531 4.985 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)cc2cccnc12)C1CCN(C(=O)OC(C)(C)C)CC1 1214297757 PCVICIVCOMXZNA-UHFFFAOYSA-N 442.947 4.755 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1214874775 WAYUOFZGSRFXJP-UHFFFAOYSA-N 448.445 4.853 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCc3c2ccc(F)c3Br)c1 1222004301 DHFSHVNJAGQCLS-LIRRHRJNSA-N 446.320 4.756 30 10 IJEE CN(Cc1ccccc1)[C@@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CC1 1222119701 DPSQFYQVTPNSGZ-DEOSSOPVSA-N 444.604 4.997 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(Br)cc1 1222670093 IDHPZAVMFMRWEY-LSDHHAIUSA-N 440.124 4.863 30 10 IJEE O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCc2cccc(C(F)(F)F)c2C1 1261008573 ACMVFYCGSWRUBZ-UHFFFAOYSA-N 427.341 4.610 30 10 IJEE CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)COc1ccc(C#N)c(Br)c1 1265449804 BBRYNBVXCJOMGP-LJQANCHMSA-N 429.358 4.878 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286333783 NKVJBVSXMJYSLT-LJQANCHMSA-N 439.654 4.679 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(C)nn(C)c1C 1286437950 STBVKLIMBKMWPE-UHFFFAOYSA-N 438.988 4.671 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1C 1286507439 IKTBDCMKDNIUSC-KRWDZBQOSA-N 425.627 4.506 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCC1 1286553815 VTRPIULEJVTWTQ-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1286558895 RUGHWIAOBBPYRY-OFVILXPXSA-N 437.632 4.563 30 10 IJEE C=C(Cn1c(N(C)Cc2ccc(C)o2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1286618451 BNVMXFQHFHCYGM-RUZDIDTESA-N 436.556 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1286673912 JBRZGBISRUIXTP-UHFFFAOYSA-N 434.632 4.873 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1CC(C)(C)C1 1286742057 UOTKSTBDDBJLDI-UHFFFAOYSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1CC1CC1 1286743895 WZSXKFCCFMLHRL-UHFFFAOYSA-N 426.362 4.649 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)CCc1cccs1 1286796416 RYBBFHKZCRXZAK-UHFFFAOYSA-N 431.565 4.694 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)CCC(C)C)C1 1286805039 PHIBVVXWMZAQOD-REWPJTCUSA-N 432.996 4.567 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCc2csc(C(C)(C)C)n2)C1 1286810103 NURVTYWBBUXUHE-IBGZPJMESA-N 429.634 4.714 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCSCC(C)C)C1 1286810123 YHOXCIFGQLGRFH-SFHVURJKSA-N 425.602 4.597 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CCN(C)C(C)C 1289274990 FNPUUHPJTDZOSA-VQIMIIECSA-N 447.027 4.624 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 1290445996 WMLXLYWIANQAPZ-ZBFHGGJFSA-N 436.503 4.858 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1300422378 LTFFDHRMMDJAMR-QFIPXVFZSA-N 434.540 4.660 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H](C)Cc1cccs1 1300649664 OHUUJIPQRURNCE-XMSQKQJNSA-N 438.572 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CC(CC)(CC)SC 1300788494 BCPJSBXTYRZVDH-HSZRJFAPSA-N 442.629 4.876 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C)CC1 1300851114 LZQJOSDMYPVDSA-CYBMUJFWSA-N 425.321 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCCOc1ccccc1C 1300880425 ILSBSPPFRINJSO-VWNXMTODSA-N 447.583 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)C[C@H]1CC=CCC1 1300891235 XWYNWDPGNHVSGT-HOKHCIIBSA-N 436.600 4.651 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1301114306 NKWVOZODKFDOCH-UHFFFAOYSA-N 447.583 4.977 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1301126410 VCPYEKZYZYTEEA-FQEVSTJZSA-N 445.652 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cnn(C)c1 1301139827 WZIUAYGLIHKBOY-UHFFFAOYSA-N 429.572 4.774 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1301189773 FVKDQLRPEZHAEP-KRWDZBQOSA-N 428.524 4.834 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)CC1 1301218391 NYGUIDOQDWCBCQ-LJQANCHMSA-N 434.588 4.829 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H]1CC 1301245360 BAANGTKDPFCCOZ-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1301280196 FTANHBTVIYZGMB-IEBWSBKVSA-N 431.378 4.619 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1nccs1 1301399792 UXUZJSVLEXJAHK-LJQANCHMSA-N 430.581 4.835 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1c(F)cccc1Cl 1301412366 ASGASNPZVKTURS-HXUWFJFHSA-N 430.911 4.799 30 10 IJEE C#CCN(C(=O)CSc1ccc2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655303 BPBHILJHAIGUAZ-UHFFFAOYSA-N 438.593 4.793 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H]2CC)CC1 1306508095 BFYLGRNFWHEZFP-RBBKRZOGSA-N 448.615 4.528 30 10 IJEE C=CCn1c(SCC(=O)NCCCCCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307237476 ANLZMKZANOUYOL-OAHLLOKOSA-N 433.643 4.557 30 10 IJEE N#Cc1ccc(Br)c(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 1308232315 HVXTZGWOBXMAPI-UHFFFAOYSA-N 444.336 4.858 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)c1ccc(Br)cc1 1310312883 UNLIPSVHCRAATA-LJQANCHMSA-N 444.329 4.580 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)ccc1Br)c1ccc(Br)cc1 1310420690 FZVOZMBPWGUQMH-AWEZNQCLSA-N 426.083 4.847 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)C1 1325269105 QJKUSXRKOBWOHD-XJKSGUPXSA-N 436.375 4.620 30 10 IJEE C=CCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1)C(C)C 1349924745 AONONWONZJVPHA-UHFFFAOYSA-N 436.581 4.766 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccccc1OCC=C)c1ccc2c(c1)OCO2 1350356232 XNCCSOWFBDWUNA-UHFFFAOYSA-N 425.484 4.737 30 10 IJEE N#Cc1ccc(SCC(=O)N=c2sccn2Cc2ccc(Cl)cc2Cl)cc1 1351164648 DZMHSZLDUKLSPF-UHFFFAOYSA-N 434.373 4.996 30 10 IJEE C=CCN(C(=O)[C@@H]1CCOC2(CCCC2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1351450926 NIWQDBYCLLIIPH-QGZVFWFLSA-N 427.526 4.977 30 10 IJEE C#CC[C@]1(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CCCN1C(=O)OC(C)(C)C 1354528805 DLJDBCIDOHCSGA-HSZRJFAPSA-N 443.544 4.605 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCC(F)(F)C1 1358884812 XLLGXCHDBYWQPA-RBUKOAKNSA-N 438.526 4.804 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCSC(CC)(CC)C1 1358908282 RPYUQOBJXDPHPH-UHFFFAOYSA-N 442.629 4.878 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@]2(CCCOC2)C1 1358934380 ZGEMQPUUSYOENX-AREMUKBSSA-N 436.600 4.709 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)c1nccs1 1359004084 IUEPKEHTXRPXGQ-GOSISDBHSA-N 447.564 4.837 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccsc1 1359019414 UTDIXZJOOAFFOF-UHFFFAOYSA-N 449.605 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C)C1 1359096038 WBAQEFCGDXNVCE-XQFWAAQXSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCOCC 1359110068 ZBFWWBGRNWHRLM-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN(CC)C(C)C)CC1 1359160596 YEJXJIGSZJEEFZ-JOCHJYFZSA-N 425.621 4.922 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1359162183 HDTFJQQAPKUCBU-RTBURBONSA-N 444.023 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)CCS(C)(=O)=O 1359185395 VLWVUKQWBQAVNZ-UHFFFAOYSA-N 446.661 4.716 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1359201701 XAPTZQSWJSCKPS-RTBURBONSA-N 442.608 4.759 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCSC1 1359254209 IQHRUZZCVQZTOL-OAQYLSRUSA-N 449.624 4.993 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@H](C)C1 1359255207 RORYTZDKOMEBTA-UNMCSNQZSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H](C)c1nccs1 1359260333 ATJKNGBVMFHXKU-SFHVURJKSA-N 448.571 4.856 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359261228 AOPOXLNVTGSURF-MBSDFSHPSA-N 430.618 4.558 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCCC1(C)C 1359275402 SUPPKIUCTSJDLA-SANMLTNESA-N 431.584 4.516 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)c1 1435027254 HPEJERICLWEJBF-LADGPHEKSA-N 433.548 4.728 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3c(ccc(OC)c3OC)[C@@H]2CC)cc1OC 1437385856 GLASDLNTLOWSLK-DXAOBPHNSA-N 437.536 4.826 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)c1ccc(Cl)cc1F 1449317596 NBONVKOTBXFRTH-KBXCAEBGSA-N 445.922 4.697 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1450325077 HZSDVPJITKNRIS-QHCPKHFHSA-N 431.511 4.747 30 10 IJEE C#CCOc1cccc(OC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)c1 1456135832 QVOTZMFUBZCZFE-LJQANCHMSA-N 444.915 4.617 30 10 IJEE CC[C@@]1(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CCN(C(=O)OC(C)(C)C)C1 1458166063 BQCBGPSCPDYTTM-JOCHJYFZSA-N 426.542 4.657 30 10 IJEE C[C@@H](C#N)N(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C1CC1 1461405741 CRQRUSRITULOSO-HNNXBMFYSA-N 437.956 4.583 30 10 IJEE CC(C)N1CCC[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 1464289126 BSLZNKHDOHVHCF-MRXNPFEDSA-N 436.503 4.683 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc1 1465398513 AMMYTFHZKHEYCL-NHCUHLMSSA-N 425.573 4.749 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1COC2(CCCCCC2)O1 1466816598 JEKSDPNXHGTRLO-MRXNPFEDSA-N 439.350 4.601 30 10 IJEE C#CC[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC=C)C1 1469369218 ZBSARKHZLJBBLC-HNNXBMFYSA-N 449.407 4.792 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1)c1ccc(Br)cc1 1470663780 RMFCPRIVEKBIIZ-YADHBBJMSA-N 440.385 4.742 30 10 IJEE CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1474985055 GWKIYEBLJZIRPM-DJJJIMSYSA-N 434.970 4.789 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1 1475627526 SCJUPSYNIWVGMY-GOSISDBHSA-N 426.460 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOc1ccc(Cl)cn1 1507524099 URMLDJKALVHUSH-KRWDZBQOSA-N 437.975 4.828 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1507555315 MDRQMGCEEAKRAQ-QUCCMNQESA-N 440.588 4.789 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCCOC2)C1 1507557851 OAVIDFIYOODAET-FQEVSTJZSA-N 449.418 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1507804186 DYSDULFKHSQKMJ-RKONGDRVSA-N 440.657 4.765 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507822547 CRLDFSFVDSIDAH-IUODEOHRSA-N 429.284 4.918 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC=CCC1 1507838602 FQJDNAGBLPJSIN-UHFFFAOYSA-N 437.769 4.720 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2cccnc2OCCC)CC1 1507887389 OHCXZTGCHOPGJU-UHFFFAOYSA-N 431.584 4.842 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](OC)C(F)(F)F 1508012186 SCPXPXUQSCKEJM-MRXNPFEDSA-N 432.849 4.883 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CC1 1508017094 INMJTMUEQVVAPL-LJQANCHMSA-N 429.609 4.761 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncc(CC)s1 1508169240 YZEGNOYIIARAKE-IEBWSBKVSA-N 449.690 4.771 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@](C)(CC)C2)CCC1 1514359901 FTSAYRVZPBHPMQ-XMMPIXPASA-N 437.588 4.704 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C(C)(C)C)cc1 1523656713 BVARVDIHXYLRQW-XMMPIXPASA-N 448.607 4.860 30 10 IJEE CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 1524033423 BQVMJCBOVSOLTM-UHFFFAOYSA-N 429.567 4.725 30 10 IJEE C#C[C@@H](NC(=O)c1cc(I)c(C)cc1C)c1ccc(Cl)cc1F 1525069386 DBGDIMQRBIGMPF-QGZVFWFLSA-N 441.671 4.805 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1 1529137320 TWRSVXNTYSUQPT-BZSNNMDCSA-N 447.000 4.838 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)c1 1537058887 DFEBFHNTILKFPJ-QFIPXVFZSA-N 438.524 4.951 30 10 IJEE C#CCN(C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)[C@@H]1CCCc2ccccc21 1538599420 HBBUYZBLYSJEHJ-AREMUKBSSA-N 443.568 4.814 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)s1 1538826158 MWBOUSMMTTZYIB-UHFFFAOYSA-N 427.935 4.502 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCOC)Cc1ccco1 1539101725 GULTWVLPPQIWCD-GOSISDBHSA-N 438.597 4.791 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539103800 YSOBHLBZOVWKHV-IBGZPJMESA-N 445.405 4.681 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1539162307 URGZNJHYOJAASF-GGAORHGYSA-N 433.625 4.722 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1539621737 BKRGJIPSGGHJHJ-QRFRQXIXSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(CC(C)C)C(C)C 1539637340 PKKMEACVYFCBDY-XUZZJYLKSA-N 426.605 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CSCCS1 1539659360 UGOLUNCGNAHWIW-SFHVURJKSA-N 448.658 4.603 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC=CC[C@H]2C)c1 1540040316 VHNRRHVHWITHKC-DYESRHJHSA-N 444.984 4.806 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)c(F)c1)C1CC1 1540094319 FNALMBKNJJHPMO-UHFFFAOYSA-N 448.315 4.711 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@H]1C(=C)C 1540129675 WWIXTMQWXGBTJO-UPVQGACJSA-N 433.600 4.912 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CCc1c(C)noc1C 1540134440 YFKGTXGHXCNVOL-UHFFFAOYSA-N 433.581 4.971 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1cc(Cl)ccc1OC 1540147963 XYKACIMYERIERY-INIZCTEOSA-N 444.988 4.746 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(O)c1 1540191183 GLCZVLGWMZUFSR-KRWDZBQOSA-N 438.597 4.524 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 1540349098 OKYVBQVRFUKDHG-OAQYLSRUSA-N 448.485 4.846 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 1543566101 YQOGJPSPCXREFM-SFTDATJTSA-N 443.975 4.826 30 10 IJEE CSCc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)c1 1555890173 AZMICDFKRDVFGD-OAQYLSRUSA-N 425.602 4.561 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(F)c(F)c1 1556261314 HCFUNDDFQLXDBJ-QFIPXVFZSA-N 442.487 4.813 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 1562263222 JXVNORAGUATSRD-FQEVSTJZSA-N 434.584 4.628 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 1562440582 MMDIBPSNBASQJO-UKILVPOCSA-N 443.522 4.627 30 10 IJEE COc1cccc([C@@H](CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)OC)c1 1562787842 FHTQSFFJXHUODJ-OAQYLSRUSA-N 447.539 4.559 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)c2C#N)C1 1583845679 HRGIMXGRHYFIHN-MRXNPFEDSA-N 437.565 4.747 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1587621714 XVQDYWMRBOJRPU-CUVVAGTFSA-N 446.599 4.569 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](CCC)C1 1587718936 QUYRYTVRRZMAQW-ICSRJNTNSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccoc1C 1587883533 DNFWNAKBRDUMEZ-UHFFFAOYSA-N 443.345 4.571 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCCC(F)(F)F 1588198348 PRBKJFSXSYSAAR-UHFFFAOYSA-N 445.308 4.575 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(OC)C1CC1 1588272042 UDDDJYROXACSRO-XMMPIXPASA-N 435.597 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC(O)(CC)CC 1589252216 ZRWCTKUWCODDFL-OAQYLSRUSA-N 433.021 4.767 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H](C)CCC 1589347282 MFQQQOGAKLTARL-CQSZACIVSA-N 437.382 4.743 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589514694 HTCNOIVDKBRKLW-AXVVYFOYSA-N 434.506 4.793 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1 1589557165 GXAYIEXTWASBAK-XQFWAAQXSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1589694178 BGSGCIXVRONDJL-LGGPRVQUSA-N 428.552 4.662 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC1CCC1 1594492262 WYGNMQQMDKIOMM-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(c2nccs2)CC1 1594697412 AFFFWZXSGNLWDO-UHFFFAOYSA-N 428.993 4.738 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)CC1 1594728266 ZITZHDBBWSURHC-KRWDZBQOSA-N 439.551 4.594 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccccc2)C1 1595688672 MERPZMWQBZWPLS-MRXNPFEDSA-N 445.386 4.599 30 10 IJEE C#C[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccc(Cl)cc1F 1597002733 LTABCXVLBXRQIQ-GOSISDBHSA-N 436.899 4.893 30 10 IJEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](CC(C)C)C2)n1 1612227513 CBCYPRYEPLYMDG-QFIPXVFZSA-N 444.583 4.547 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccc(F)cc1 1613279713 MQNHIEALPWDDFN-GOSISDBHSA-N 446.910 4.960 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CS(=O)(=O)c2cccc3ccccc23)ccc1Cl 1614974749 FCXKECOAILEFPF-UHFFFAOYSA-N 426.925 4.522 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@H](C(=O)OC)c1cccc(C#N)c1 1616592132 CXWDNCWHGCYRFM-YADHBBJMSA-N 445.485 4.782 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccccc1 1616818691 ZNSSLAAQQWAHMX-HKBQPEDESA-N 429.545 4.867 30 10 IJEE COCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1619645344 DCHXJRGUNPNBLE-QFIPXVFZSA-N 443.979 4.554 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 1625472422 IOMFRCZODXNSEH-JOCHJYFZSA-N 442.600 4.974 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-n3cccc3)ccc2Cl)CC1 1626676577 CKQHIVRXPOPQOO-QFIPXVFZSA-N 439.346 4.807 30 10 IJEE C#CCSCCNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1628385658 WZELSDUKXUOADT-SVFBPWRDSA-N 447.666 4.879 30 10 IJEE CCCc1c(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)cnn1-c1cccc(C#N)c1 1633286791 CEPCADQHQKDVTO-DEOSSOPVSA-N 447.926 4.872 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2ccc(C(F)(F)F)cn2)s1 1635768709 GYAIEZPCVXSEFN-UHFFFAOYSA-N 435.924 4.611 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc2[nH]cc(I)c2c1 1635801594 BVBRUABCZCILEL-UHFFFAOYSA-N 430.289 4.991 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 1638105388 NIWFRHRBDREBFE-UHFFFAOYSA-N 449.860 4.683 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3c3ccc(Cl)cc3)ccc2c1=O 1640714030 DWKKMDZOSOZFMG-HXUWFJFHSA-N 439.968 4.892 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)Cc1cn(C)c2ccccc12 1642271831 KOJDHADQDUAXDA-HKUYNNGSSA-N 433.980 4.652 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 1642540311 JIBPHIIWTMNFOR-DEOSSOPVSA-N 434.580 4.940 30 10 IJEE C=CCn1c(SCC/C=C/c2cncc(OC)c2)nnc1[C@H]1COc2ccccc2O1 1643490609 CYGNREUTROJUAL-HSTAZWAASA-N 436.537 4.576 30 10 IJEE C=CCOCCSc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@H]1CCCO1 1652450698 LMUKJWSJRBNAHM-GOSISDBHSA-N 442.606 4.907 30 10 IJEE COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cccc(Cl)c1 1654638893 FMSFPVMDNSECEH-IFXJQAMLSA-N 431.989 4.704 30 10 IJEE CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1cccs1 1659661652 GKUFYDIATYXRCM-QGZVFWFLSA-N 427.389 4.838 30 10 IJEE CCN(CC)[C@@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1ccc(C(F)(F)F)cc1 1667541703 FUMYOVORMQDZJE-FQEVSTJZSA-N 436.453 4.598 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1OC 1668990854 XWPJLGAAJLCMOI-SFHVURJKSA-N 447.304 4.978 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)OC)c(Br)cc1C)c1ccc(Cl)cc1 1669784088 UMHDSHLXUKILBN-INIZCTEOSA-N 435.705 4.694 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)[C@H](C#N)C1 1670058509 GJFQEYAXJKGAOJ-OXQOHEQNSA-N 442.466 4.512 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cnc2ccccc2c1Br 1674257258 DAQSDEQYSOTGFA-UHFFFAOYSA-N 430.302 4.693 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-c2ccccc2F)nn1)c1ccc(Br)cc1 1675037849 DCBPDJZHPUPPMV-KRWDZBQOSA-N 425.261 4.541 30 10 IJEE COc1ccccc1-c1[nH]nc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1C 1675722096 GLEPFVYUVXLHSD-UHFFFAOYSA-N 447.886 4.749 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@]1(CO)CCc2ccccc21)c1ccc(C(F)(F)F)cc1 1679305511 OQHKEAUBKSMIMI-GGAORHGYSA-N 432.486 4.888 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccn1)c1ccccc1OC)[C@@H]1CCCc2ccccc21 1681254520 IFLVWUVLLJOTGO-RSXGOPAZSA-N 425.532 4.902 30 10 IJEE C=CC[C@H]1N(C(=O)NCCc2ccc(I)s2)CCCC1(C)C 1683741596 ZOFUINPZMZJNIK-CQSZACIVSA-N 432.371 4.672 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(OCC)c1OC(F)F)c1ccc(Cl)cc1F 1685612382 IWXVHJYUDIGJLP-MRXNPFEDSA-N 426.822 4.653 30 10 IJEE C#C[C@@H](NC(=O)N1CC(Cc2ccccc2OC(F)(F)F)C1)c1ccc(Cl)cc1F 1686922800 QMLWNWVAAWNWEE-GOSISDBHSA-N 440.824 4.936 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1oc(CCC)nc1C 1689835024 DSPMOBNZJVXEHL-JKSUJKDBSA-N 437.613 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(C)CCCS1 1689839024 BUBMOVRVDOBKDB-UUOWRZLLSA-N 436.581 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@H](c1cccs1)N1CCCC1 1689863131 NIKJISDROUHLGK-RBBKRZOGSA-N 449.624 4.522 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1cccs1)N1CCCC1 1689957161 UDJCGUFQTWHJAX-LJQANCHMSA-N 425.989 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC1(c2ccccc2C)CCOCC1 1690051315 VVWFHSWELXNNFI-UHFFFAOYSA-N 444.623 4.531 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1690170255 CUOHKGBBUHOXOR-UHFFFAOYSA-N 445.636 4.881 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](C)Cc1ccc(OC)cc1 1690203173 SMKBQJWHJOVAOL-NIYFSFCBSA-N 429.568 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCSCC(C)C 1690212475 MRUOCOITTUDPTG-XMMPIXPASA-N 426.630 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@H]1C 1690238177 GDZMAJQABQAVCV-XTCYKFNRSA-N 428.552 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cccnc1OC 1690258257 AAOJAIULCZLKPR-UHFFFAOYSA-N 448.390 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCCO1 1690259244 BWSYKVDZOLLKSY-FQEVSTJZSA-N 428.577 4.712 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCc2cc(Br)ccc2C1 1690313145 MBGSXASEIBOLMO-UHFFFAOYSA-N 447.421 4.785 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690380787 URIQBVHLFHTMMG-ZEQRLZLVSA-N 435.660 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690405017 YNXIOJXNPZAEQF-VXKWHMMOSA-N 446.643 4.977 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)CN2CCCC2)CC1 1690417014 ATIXOPQAFIVBOJ-FGZHOGPDSA-N 443.680 4.721 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCC1CCN(CC)CC1 1690553821 JHLPMWFIEHOYMP-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1N(C)CCCC1(C)C 1690588417 VJUYTZQANNXDLM-QHCPKHFHSA-N 430.600 4.792 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1Cc1ccnc(OC2CCCCC2)c1 1690602207 JYKSHGDTCQLBRT-UHFFFAOYSA-N 431.584 4.976 30 10 IJEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(Cl)s1 1690624178 INJODPPJKMWAMT-UHFFFAOYSA-N 441.988 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1705592699 RERONAJKIYSPPN-ISKFKSNPSA-N 430.596 4.687 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1ccc(Cl)cc1 1705703604 UYCMDJKZRVRRNZ-PGRDOPGGSA-N 432.996 4.626 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1705727662 SFIATZPYGBZFHM-JXFKEZNVSA-N 428.533 4.600 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1ccccc1 1705741181 IFAIAISGUHCASK-UHFFFAOYSA-N 445.615 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](CC)C1 1705786555 RJDYKEAWAHICEU-OAHLLOKOSA-N 438.439 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@H](COC)C1 1705788777 MSNJIFDHADBQCN-IBGZPJMESA-N 442.604 4.818 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705808630 SUDBGLUSLFSTRZ-UHFFFAOYSA-N 438.576 4.602 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705823777 VCMJBCYJNCZFER-HXUWFJFHSA-N 436.629 4.648 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H](OC)C(C)(C)C 1705862196 BFAPDOBFVKSXSB-NRFANRHFSA-N 425.552 4.676 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCN1CCCC[C@H]1CC 1705862285 FAXGECJBQXPIPI-OAQYLSRUSA-N 436.579 4.869 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCC(C)(C)C2)c2ccccc2n1 1707251041 BFESZTNALKFZMJ-FQEVSTJZSA-N 445.615 4.662 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCSC2(CCOCC2)C1 1722314111 HJIFENMTBJMGNA-UHFFFAOYSA-N 431.005 4.504 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(CC)CC1 1722423001 WEIDDRBYXNGANH-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722456036 YFEDLCHWRBGACG-INIZCTEOSA-N 447.446 4.946 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(Cc1ccc(F)cc1)C1CC1 1722463310 XRFLBOISFCYRIX-UHFFFAOYSA-N 426.586 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1Cc1cccnc1OCC 1722469289 YCEJSUCEBDCGCZ-BKMJKUGQSA-N 429.568 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccsc1 1722496395 WWTNCIZCSCVCAT-ICSRJNTNSA-N 439.541 4.532 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCCO1 1722528035 FBHJLUUDKPJZPC-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N(CC)Cc1nc(O)c2sccc2n1)c1ccccc1 1722541347 XUAUHLUMMPNVNO-UHFFFAOYSA-N 448.596 4.927 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2([S@@](C)=O)CCC2)CC1 1722575050 WLKREROCRHKIJK-IIMAJNMQSA-N 426.630 4.524 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSC[C@@H]1C 1722625498 SHSPZPVYZPOXLS-AWEZNQCLSA-N 427.401 4.786 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nccn1C(F)F)C1CC1 1722647009 OTFCFBYWVKGVKB-AWEZNQCLSA-N 448.905 4.866 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1722661208 WUOLJESURPBTDB-QGZVFWFLSA-N 433.622 4.959 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccsc1)N(C)C 1723772880 BQKKIVBCBLMLJC-BEFAXECRSA-N 428.993 4.701 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](c1cccnc1)C(C)C 1740557589 ORDVOZJHIXGNSK-JTHBVZDNSA-N 431.584 4.767 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@](C)(CC)C1 1740585290 ZDUMXHQLNJJMKA-RUZDIDTESA-N 434.540 4.536 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCOC[C@H]1C 1740632323 HZJCYMNOWUXANN-IAGOWNOFSA-N 438.984 4.559 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCn1ccnc1C 1740663546 MEYZADGZFIKGKO-UHFFFAOYSA-N 438.988 4.868 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCc1cccc(C)n1 1740676909 BPYRVGIXIJABDP-UHFFFAOYSA-N 443.526 4.962 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCCCCOC 1740727917 FQCUTNZYHWWAGK-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCS[C@H](C)C1 1740754359 RUHUOBGCRKSRRL-NMIHRBCNSA-N 426.630 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1740771877 OEDCPSZFEOSUQJ-KNQAVFIVSA-N 438.645 4.831 30 10 IJEE C=C(C)Cn1c(N(C)[C@@H]2CC[C@H](SCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740784981 FSXKLHIPLLPIEL-HCXYKTFWSA-N 449.665 4.735 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](CC)OC)CC1 1740819995 MSKLQUOUSMUAAV-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 1740853553 FZXVKUUMCRFNBZ-MQSCRBSSSA-N 437.632 4.845 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1740866188 YYPIQKLVWAZRCT-RXVVDRJESA-N 448.970 4.899 30 10 IJEE C#CCCCCn1c(N2C[C@H](c3ccccc3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1748726644 JAZXOEIDPNBQRW-SYVJQLTCSA-N 436.600 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C(F)(F)F 1748882592 XYRMHBVGXYYTNB-UHFFFAOYSA-N 440.416 4.598 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(N(C)C)CCC1 1748918046 VDSVABDGYIGREI-UHFFFAOYSA-N 437.588 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1749127421 LRILUUYVIYOQGB-AAIMPIBUSA-N 433.556 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCCCC1 1749137386 XZKDLWVNIRAJEW-MBSDFSHPSA-N 428.552 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@H](c3ccc(Cl)cc3)C2)nnc1C(C)(C)C 1749139973 KGRBJWVOWAELGT-JBACZVJFSA-N 445.007 4.788 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1749383451 XOOJIBSRNXVYDW-RXVVDRJESA-N 447.549 4.978 30 10 IJEE C=CCCCCn1c(N2CCc3c(F)cc(F)cc3[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1749409109 RKGJIYPMJPEZEK-XDHUDOTRSA-N 446.542 4.688 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C)s1 1749689542 GQVPZPQKSYEZBF-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C2CC(C(C)(C)C)C2)C1 1749719200 PPMOFJYVGHOSJC-CTWPCTMYSA-N 428.552 4.775 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C)CCOCC1 1750066014 FKSBJCSSDSHUON-LJQANCHMSA-N 449.555 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)c1c(C)noc1C 1760212629 YZPHUUVRIPPWJE-WMZHIEFXSA-N 429.568 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCCCCC1 1760290018 ZOHQYVUPCPXIJB-HSZRJFAPSA-N 444.526 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1Cc1cc(Cl)ccc1OC(F)F 1760293044 ODQKWPBMGFGFKP-JOCHJYFZSA-N 445.901 4.579 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccon1 1760319072 QMWQJGVDNPQMAP-IFXJQAMLSA-N 448.354 4.858 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(F)(F)F)CC1 1760335630 PBUHWRFPELJMPX-QRVBRYPASA-N 442.526 4.670 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccoc1 1760354390 ZAKFZAWSXFDPRD-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1760385093 LZDQGDBBUUAOPZ-QFIPXVFZSA-N 430.556 4.649 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CC2(C)C)CC1 1760385349 RVMIFCCSLZPFLW-INIZCTEOSA-N 431.378 4.919 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1760416993 RVHDOQYHPPZOMY-UXHICEINSA-N 430.980 4.963 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccccc2C)CC1 1760434722 KPQNFSYHYNLAEU-UHFFFAOYSA-N 436.991 4.590 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1conc1COC)C1CC1 1760471790 JCDWYKBGCMULLU-UHFFFAOYSA-N 434.327 4.589 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1cccc(F)c1F 1760488597 ZRBXUENNQCGFCU-LJQANCHMSA-N 430.524 4.905 30 10 IJEE CN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCc1ccc(Br)s1 1767196562 FNKWFTYPMNHHAT-UHFFFAOYSA-N 442.386 4.730 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C#N)CC1 1767728905 FNUIIPUNUHUZJR-UHFFFAOYSA-N 432.572 4.604 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1772789700 DIHCLUKUNQHLFF-UHFFFAOYSA-N 428.831 4.923 30 10 IJEE CCOC(=O)c1sc(NC(=O)C2(Oc3ccccc3OC)CCCCC2)c(C#N)c1C 1859736072 HTAQYBPPANXWAX-UHFFFAOYSA-N 442.537 4.834 30 10 IJEE N#Cc1ccccc1NC(=O)Cc1ccc(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 1860882679 HNRKBDODNAZWER-UHFFFAOYSA-N 434.839 4.553 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861185626 ZDLIEWXDYCPENM-GMAHTHKFSA-N 447.639 4.799 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)c1 1862434408 YHGQJFCJEGDACV-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(Br)c1 1862509497 JKWJZYQDQJUTIE-SFHVURJKSA-N 430.273 4.661 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(F)c1 1862525054 TWSTYBUBTOFMGT-KPZWWZAWSA-N 432.289 4.965 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862531885 STOIVIIBSAOFCL-NRFANRHFSA-N 444.934 4.572 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCC4(CC3)OCCO4)[C@@H]2c2ccccc2)cc1 1862534065 PUKWWIKBXLXDHO-HSZRJFAPSA-N 447.531 4.513 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc([N+](=O)[O-])c1 1862547620 ZAUVWULBHJSQMD-JOCHJYFZSA-N 434.492 4.852 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(F)c2)c1 1862590722 OGJJHBRWJITZLV-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Br)c1 1862599194 DWSBZFDONGQWRA-GOSISDBHSA-N 430.298 4.533 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1Cl 1862611962 XZAHJUFMIXVWQV-IBGZPJMESA-N 448.302 4.753 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 1862625555 JTOAUIQQYIKFNC-IQMFZBJNSA-N 445.446 4.894 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H](C)CC)c1 1862631163 LFGRFURKSGLJSH-NYHFZMIOSA-N 437.492 4.581 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(O)cc2)cc1 1862661741 GQAUFKPYFGPWCV-QHCPKHFHSA-N 428.488 4.689 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862674352 MIQPACGEZJPLQM-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862727514 GTUQXAWRUFDWTI-DEOSSOPVSA-N 441.483 4.832 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(F)cccc1Cl 1862737537 IKVFLXUFCIQEPA-SFHVURJKSA-N 432.835 4.622 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@@H](C)c1ccc(Cl)cc1 1868682657 KYASFUAPBGROLL-JPYJTQIMSA-N 442.962 4.901 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C)[C@H](c3ccccc3)C2)nc(-c2ccc(F)cc2)n1 1869282997 XQVMXRQVLBSDBT-DEOSSOPVSA-N 443.570 4.954 30 10 IJEE CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C#N)nnn2-c2ccc(C(F)(F)F)cc2)cc1 1870145723 MIXTVDMCLLZCJQ-CQSZACIVSA-N 443.429 4.687 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2cc(Cl)ccc2Cl)cc1 1870153642 DRTIKPLAXKJBSF-UHFFFAOYSA-N 430.295 4.877 30 10 IJEE C#CCOc1cn(CCCOCCCC)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871005607 OTKGFMRTBNOUTB-UHFFFAOYSA-N 439.600 4.525 30 10 IJEE O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(CCCc2nc3ccccc3[nH]2)CO1 1871347319 PAVFUCJMVJNFME-IWIPYMOSSA-N 437.499 4.964 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc(F)c1)C3=O)CN(CCCCN1CCCC1)CO2 1871355090 RIRBTCHBLDGSBX-UCQKPKSFSA-N 436.527 4.778 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871460684 ZUZJLZQNCVJITP-HAHDFKILSA-N 428.488 4.695 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)c(C)c1 1872096300 GNRXIAFQAPBCMF-HSZRJFAPSA-N 439.581 4.769 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872212347 BKXDGTOXZFXTED-LJQANCHMSA-N 428.598 4.887 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872221435 KFNXZTBFQOWYNO-QFIPXVFZSA-N 428.598 4.968 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872582156 LBOKYSFVBUVMFY-FDDCHVKYSA-N 444.597 4.624 30 10 IJEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCOc2ccccc2)C1=O 1873077039 MUHABXXCNDOLKW-UHFFFAOYSA-N 449.595 4.971 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2cccnc2)C1=O 1873269187 OHXVKSPRKBCHRF-UHFFFAOYSA-N 437.540 4.651 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@@H](C)CC)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330955 XOFNANYFKCBWCR-IBGZPJMESA-N 446.547 4.945 30 10 IJEE C=CCOc1ccc(-c2no[nH]c2=NC(=O)c2ccc(OCCCC)c(OCC)c2)cc1 1873438980 MYAWHPZJHCMREK-UHFFFAOYSA-N 437.496 4.553 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)cc1 1874292470 FDPBESTTWMLFMZ-DHRITJCHSA-N 437.500 4.507 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccco2)cc1 1874293043 WSRBGXJFUHYIHO-ZMOGYAJESA-N 438.484 4.772 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874333087 GUNCYCPXXVPOSH-QVGKIPNLSA-N 447.608 4.739 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874342923 PYDMYWXQRXFAHZ-OEAKJJBVSA-N 428.945 4.700 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874404422 XDCRQCDBQUOCKB-FSJBWODESA-N 449.363 4.517 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccccc1OC 1874478057 QZIGJZDVUGALAR-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE CCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874527646 YRUOSSYAOOSQDN-AFUMVMLFSA-N 446.580 4.961 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCC(=O)OC 1874625988 GURDLBZYPJGDBF-DHZHZOJOSA-N 426.509 4.839 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3cc(F)ccc3F)n21 1875061686 QOTDJFQSFBZRTF-OAHLLOKOSA-N 438.544 4.845 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 1875098745 KABYOELNIYEVDJ-KPKJPENVSA-N 448.471 4.836 30 10 IJEE COCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC 1875104803 OWILKZXVFWVFCI-QPJJXVBHSA-N 439.291 4.849 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875171223 LVEMGHKOCXPSSP-RMKNXTFCSA-N 439.464 4.830 30 10 IJEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(NCCCCCC)ncnc21 1875231484 PHPKSCYQFUFYRY-UHFFFAOYSA-N 446.599 4.572 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)c1 1891711603 YDMUGBAUSSQXKQ-UHFFFAOYSA-N 438.487 4.693 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 1902202491 XCUOXUYDMNXZNN-LIRRHRJNSA-N 435.487 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 1998068883 ZUTHEUCTYCFGIU-YADHBBJMSA-N 432.605 4.542 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2038877890 WYCFLLFLPPXEQA-JJTGBXKASA-N 446.632 4.574 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1F 2078995025 RWCZLAVPPSEJCS-GXBAXFRPSA-N 429.277 4.650 30 10 IJEE CC[C@H](c1ccc(OC)cc1C)n1nc(C(F)(F)F)c(C#N)c1I 2079939038 XWPCZZVTWQFQEB-CYBMUJFWSA-N 449.214 4.695 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)c1ccc(C#N)c(Br)c1F 2118150958 KHNXXXRENVKBQS-JSGCOSHPSA-N 426.330 4.542 30 10 IJEE N#Cc1ccc(Cl)cc1N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2162288581 UJLUOHLWPTZGDI-HXUWFJFHSA-N 425.916 4.584 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2c(Cl)cccc2Br)C3)OC1(C)C 2194120056 GBZXJLOACIZYEV-CWTRNNRKSA-N 440.574 4.801 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@H]1CCCN1C(=O)OC(C)(C)C 2235718224 CZBNDKCWRFKGIW-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)C#Cc1ccccc1Br)c1ccccc1 2235724398 ICTBYZWKGSWGLT-JOCHJYFZSA-N 428.326 4.810 30 10 IJEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC(C)C 2258092745 SAZYCZRFUHDQQG-UHFFFAOYSA-N 425.353 4.732 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccccc1NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267093459 UTLMUNPIUTYPKT-MSOLQXFVSA-N 444.381 4.565 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 2296218276 CINNMNRIQQHYHQ-OTWHNJEPSA-N 439.369 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C(=O)C#Cc3cccc(Br)c3)CCC[C@H]21 2296223223 ZZEOXLJFAPHHFD-CEXWTWQISA-N 432.358 4.795 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 2296252628 VCDMBBYQXKOFMV-HSZRJFAPSA-N 447.462 4.859 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C#Cc1ccc(Br)cc1 2296266231 FSZUZCLIBZYKNV-XMSQKQJNSA-N 436.390 4.835 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2296272101 IABIMGBXSKESBZ-KNKQGSTJSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CCCN1C(=O)OC(C)(C)C 2296285144 YWGHTJPXJCBSAF-VQTJNVASSA-N 435.406 4.958 30 10 IJEE c1ccc(CN2Cc3cc4cc5c(cc4nc3SC2=NC[C@@H]2CCCO2)OCO5)cc1 2297706556 LRJZXFGFHYSUOB-IBGZPJMESA-N 433.533 4.606 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2307553738 NNVIQAIPEVNYLE-GCYXNMHMSA-N 428.573 4.601 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2N[C@@H]2CCCCN(Cc3ccccc3)C2)OC1(C)C 2317224815 UJIRRPWTTPKDJS-HXUWFJFHSA-N 441.812 4.501 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317336374 VAWSCJCTJGSRGP-QFQMRYFISA-N 430.354 4.505 30 10 IJEE CC1(C)OB(c2cc(N(Cc3ccccc3)C3CCC3)nc(C(F)(F)F)c2)OC1(C)C 2317354595 QMDDJKIQPYMFHR-UHFFFAOYSA-N 432.295 4.959 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2317358600 PBHYAMBDATYRND-UJGDBWEASA-N 430.354 4.503 30 10 IJEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3OC)C4)C2=O)cc1 2322318166 RNIJNJXLHFNDMG-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE Cc1c(OC(=O)c2cccnc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2322807844 JDDLMGVTCZUFAF-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CCCNC(=O)COc1c(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)cc1OC 2322823284 MBIOGUDDDVAHEB-UHFFFAOYSA-N 445.943 4.775 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccco1 2322922791 ZOAIBGLYROPSCO-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE CCCOc1c(Cl)cc(C=Nn2c(S)nnc2Cc2cccs2)cc1OCC 2323556663 GJXXFCDRBUNBGS-UHFFFAOYSA-N 436.990 4.942 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c1 2324080951 AUMOQGVUNBEWEV-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c1OC 2324398439 KFBZBRZPVWBRFV-INIZCTEOSA-N 445.471 4.726 30 10 IJEE CCOc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 2324623436 WTFYGIYKVSGZPV-QGZVFWFLSA-N 448.500 4.836 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)NCc1ccccc1 2324963086 LFFQLOVMAKVTPX-UHFFFAOYSA-N 437.854 4.791 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2324972461 IWMCMRGHYAHLAS-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCc1ccccc1 2325448500 ODGUNTNLBBKMRF-UHFFFAOYSA-N 442.544 4.936 30 10 IJEE COc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1O 2325448540 XALGTJJDGLDMQO-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(OC)c(OC)c(OC)c1 2325554507 GDTLRDUJOQYCND-UHFFFAOYSA-N 444.532 4.570 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1cnccn1 2325776042 ZCOIWKXIXRLGCL-UHFFFAOYSA-N 440.455 4.762 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1F 2325961301 CLEQADNJKKNPBM-UHFFFAOYSA-N 431.334 4.931 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc(F)c1 2326269238 LPDGIKNOBBGJJA-UHFFFAOYSA-N 426.517 4.598 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(OC)cc1 2326846199 RFLBFIZFAVIUHI-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326991856 IIFCTXOJPXLEBR-UHFFFAOYSA-N 425.514 4.501 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2327506768 PTYIEYBTVLXLJP-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccco1 2328219326 UKEWPVHWZCMRKB-UHFFFAOYSA-N 434.521 4.942 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329484423 QUQIMGUQLBIJMY-UHFFFAOYSA-N 437.525 4.536 30 10 IJEE Oc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2329897348 NDAWRDBXCYLXRY-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1 2330952054 WOBGYHXINHMLAN-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C1CCC1 2331543419 POPNRUMZPMJXEX-GOSISDBHSA-N 433.581 4.706 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)ccc1OC(=O)c1cnccn1 2331864424 VXSUZFGMIPHLIG-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE CC[C@H](N[C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514144 WUZKXDFJYBOLMX-OPXMRZJTSA-N 434.433 4.690 30 10 IJEE CC[C@H](NCC(C)(C)N(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338517496 FXPJUVKCCVTJJK-FQEVSTJZSA-N 446.441 4.672 30 10 IJEE CCc1csc(C#C[C@@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)n1 2338645497 UUOJSQTUANBSIE-OAHLLOKOSA-N 436.375 4.867 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339600260 QXFVVGPUFMIVTB-RIBQSRIRSA-N 444.381 4.751 30 10 IJEE C[C@@H]1C[C@@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339601834 BORRVTUMTGLPRW-IEBWSBKVSA-N 444.381 4.751 30 10 IJEE N#Cc1ncc(Br)cc1OCc1c(Br)cccc1Br 2340582134 PUVXKAXZUZLMKV-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE CC[C@H](N[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844074 NIQRIRNRUCBNIC-NYMACZPPSA-N 448.460 4.937 30 10 IJEE Cc1cc(CN[C@@H](C)c2cc(Br)cs2)ccc1B1OC(C)(C)C(C)(C)O1 2369711765 MMOMAYOPTPRXPV-AWEZNQCLSA-N 436.224 4.969 30 10 IJEE Cc1cc(CN2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369730030 USYIZJPGFTZQPW-VABKMULXSA-N 448.460 4.778 30 10 IJEE C=C(C)CN1C(=O)[C@@H](C)Oc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 12228779 VCWSCYZMIKSTRY-CYBMUJFWSA-N 435.307 4.701 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2)Nc2cccc(Cl)c2C)c1C 32973214 BIXDQVIPAMKXRF-UHFFFAOYSA-N 437.975 4.922 30 10 IJEE C=CCc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCc1ccccc1 33448020 AKFGRMXDFAKFBS-QCIUGURRSA-N 446.532 4.642 30 10 IJEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3cccnc3)C4=O)oc12 41354013 FYMSKVIDGXDFCT-JMIUGGIZSA-N 427.412 4.980 30 10 IJEE CCCCCCCCCC(=O)NCCNC(=O)c1csc(COc2ccccc2F)n1 102998305 PQVSWXURGTYRKP-UHFFFAOYSA-N 449.592 4.848 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3ccc(F)cc3)S2(=O)=O)cc1 103133502 ZDNLRNUHQPEHSK-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE O=C1C[C@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1CCc1ccccc1 105533853 RXCOYEILJDAFGP-QHCPKHFHSA-N 443.572 4.567 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1OC 169939435 NTMGMEGVWUHMAL-NRFANRHFSA-N 435.501 4.544 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)s1 169957176 QYQOWZSGNLGWTK-FQEVSTJZSA-N 439.581 4.737 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)cc1 170022323 FLCJKKUHKHRLQA-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)ccc1F 170047940 KLNQIFPNNZGZNI-QHCPKHFHSA-N 430.479 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)cc1C 170055327 WUQXPVSIHCRRDU-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170104287 MHFUFFCRCAFJGT-QHCPKHFHSA-N 432.520 4.708 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1 170122594 GJRTVPOPOFYYSY-FYSMJZIKSA-N 441.483 4.802 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(C)c2)c1 170139710 BDSQZQQAVNAVBM-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170179107 AADKASPCDMREMD-OAQYLSRUSA-N 445.862 4.655 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)c1 170188041 FLBQGYSMBKDVKF-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)cc1C 170248986 FEOSRTPIQDDYCC-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(O)c1 170257746 GROKTTWTEATOJK-JOCHJYFZSA-N 447.462 4.940 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cn(C)c2ccccc12 170269010 RLPIJJNTCPAPAB-XMMPIXPASA-N 440.499 4.556 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccccc1C 170270133 VLAUFGARJNACJO-QHCPKHFHSA-N 437.536 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccncc1)c1ccccc1 170417722 IJINOTWTKFOCMW-HXUWFJFHSA-N 438.405 4.879 30 10 IJEE C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 427701755 NALJDFGEHNGQFQ-KRWDZBQOSA-N 436.899 4.581 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@]2(CCOC2)O1 431901812 KCIUZOKQMZWYCS-HYBUGGRVSA-N 439.943 4.797 30 10 IJEE C=CCc1cc(C(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc(OC)c1OC 434058150 RVKWAKHWIQIMKG-UHFFFAOYSA-N 431.536 4.682 30 10 IJEE Cn1c(=O)ccc2ccc(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc21 488250569 NUCCZQXIFVMSEF-UHFFFAOYSA-N 442.450 4.772 30 10 IJEE C=CCN(C(=O)COc1ccc2oc3ccccc3c2c1)c1nc(C(=O)OCC)cs1 501940046 FKDAKMVSSZRBKI-UHFFFAOYSA-N 436.489 4.817 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 508746520 KPXZNTGSNAEGFQ-WSNOQYBDSA-N 448.567 4.532 30 10 IJEE COc1cccc([C@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489132 GDIQLJFMWCOEEQ-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 526517602 VOHPJNXAQNVSOI-HSZRJFAPSA-N 441.443 4.922 30 10 IJEE CCCN(C(=O)[C@H](C)n1cnc(C#N)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 539503904 CWIHTXNXVBZUHL-NSHDSACASA-N 435.340 4.584 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2ccsc2)C1 567358046 YGMQCBSQKDWDNT-IBGZPJMESA-N 430.961 4.823 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccccc2)cc1C 580410112 USWCCCXHBDWPPT-UHFFFAOYSA-N 442.567 4.520 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OCC)cc1 733202740 WQBZCOGJKBQXBX-JOCHJYFZSA-N 449.576 4.686 30 10 IJEE COCCN(C(=O)NCc1ccc(OC)c(C#N)c1)[C@H](C)c1cccc(C(F)(F)F)c1 746775710 OTYSAYOZCKJIMI-OAHLLOKOSA-N 435.446 4.505 30 10 IJEE Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)CCC2=O)cc1C 760967880 FCUUPECQUYJIJU-NFBKMPQASA-N 439.515 4.547 30 10 IJEE C#CCOc1ccccc1CN[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 772987913 MMGDSSOPYQBPAZ-CUNXSJBXSA-N 448.563 4.692 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802556652 YDIXSBOJELNYRV-UHFFFAOYSA-N 437.975 4.674 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)n1nnc(-c2ccccc2)n1 1124169339 HOASXPOKAQYEGA-GDBMZVCRSA-N 434.569 4.624 30 10 IJEE C=CCOc1ccc(CC(=O)NCc2cc(C(F)(F)F)ccc2Br)cc1 1133434542 QKQXTAVXLBGTEK-UHFFFAOYSA-N 428.248 4.892 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)cc2n1 1134291589 YOYRBLYCGGBFGJ-RTBURBONSA-N 446.551 4.643 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3cc(OC)c4ccccc4c3)n[nH]2)c1C 1179986981 MYFSOWOVQPPOJJ-OAHLLOKOSA-N 429.524 4.729 30 10 IJEE N#Cc1ccncc1N1CCN(Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)CC1 1182114996 DWCKUVMLCADVHU-UHFFFAOYSA-N 440.881 4.999 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(Cc3ccc(Br)cc3C#N)C2)C1 1194392486 AWLZWWSQFMWKEV-SJLPKXTDSA-N 448.405 4.790 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 1209214540 VPVUGOZZMQPBMT-UHFFFAOYSA-N 440.908 4.933 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)[C@H]1CCCO1 1226734701 LCGOQOCGOGBPFS-TZIWHRDSSA-N 434.870 4.733 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C 1227924146 JYIMPGFPXFFZKU-LPHOPBHVSA-N 427.342 4.549 30 10 IJEE CC(=O)Nc1cncc(-c2nnc(-c3ccccc3SCc3ccc(C#N)cc3)o2)c1 1258009690 UITGRHIKBGWNCB-UHFFFAOYSA-N 427.489 4.921 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)Oc2ccccc2C)c(C(=O)OCC)c1C 1264357216 HVUYKDOIXQNUHN-INIZCTEOSA-N 445.537 4.681 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCN1CCCC 1286276601 XYIRSPFDEKCNGG-QUCCMNQESA-N 445.558 4.659 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1286529834 ALDIHQHJIDAMPA-KBPBESRZSA-N 446.393 4.538 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@@H](C)C1 1286605599 PKDDVJYMBSJDCT-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=C(Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(C)(C)C)CC1)c1ccccc1 1286617075 HLPOLAJBNZOIIV-UHFFFAOYSA-N 430.600 4.673 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](OC)C(C)C)CC1 1286640537 KHPUYOOALKRVES-IBGZPJMESA-N 449.393 4.544 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCCOC(F)F)C1CC1 1286733519 DXLLBQALTJSZQY-UHFFFAOYSA-N 445.283 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(Cl)c1 1286753424 CFCNKIDCLJPOCB-UHFFFAOYSA-N 432.753 4.916 30 10 IJEE CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N(Cc2ccc(C#N)cc2)C2CC2)cn1 1288329042 DKQGJQZYTQDLII-UHFFFAOYSA-N 430.556 4.673 30 10 IJEE C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1292822200 GWYXQZDUKCQCBS-HXUWFJFHSA-N 442.515 4.763 30 10 IJEE C=CCc1cc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1294922828 MNINBWNHAZWIQQ-UHFFFAOYSA-N 438.351 4.764 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1C 1295784801 AQAICFBJNONNPV-RXVVDRJESA-N 435.597 4.620 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1297859267 DVCVQRYLXKPMTO-YZGWKJHDSA-N 427.643 4.680 30 10 IJEE COc1ccc([C@H](C)CCn2c(-c3cccc(C)n3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1299979997 BGXBJPMOFPPWSL-BCHFMIIMSA-N 444.583 4.981 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC2CCCC2)cc1 1300286280 HFVDKGDZAWJUQI-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1300324547 HFNGYWOELFYRQO-ROUUACIJSA-N 449.624 4.507 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cc(C)cs1 1300754736 GNIWJYKTJYPPAE-UHFFFAOYSA-N 435.622 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnc(C)s1 1300785656 AVXDANHUKZDSDK-IVZQSRNASA-N 441.988 4.877 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1300886643 ZVEUOVXRGPEFAB-UDKICSLYSA-N 428.552 4.837 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ccccn1 1300898330 XJSVMIUUPUHHEU-HYBUGGRVSA-N 449.624 4.891 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC(C)(C)C1 1300950693 MVEMSURZKMVLJO-RBUKOAKNSA-N 431.625 4.841 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1300969807 DXJGIOCBDNVPGX-VBSBHUPXSA-N 430.618 4.801 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1301120334 NQQWFAQKZQZJOR-UHFFFAOYSA-N 432.515 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](C)C1 1301143392 JWFQAEROESMSCE-OKILXGFUSA-N 439.423 4.985 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(Br)c1 1301226757 WNKLEXYCBJOZAU-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)C1 1301238339 HNLGACISLKWVGO-HXUWFJFHSA-N 435.597 4.682 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2Cc2cc(C(C)(C)C)no2)C1 1301566353 MTXRONHZUMJFHP-OAQYLSRUSA-N 449.599 4.569 30 10 IJEE CCOc1ccccc1-c1cccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1302585046 BUGHTCYCLUOSSZ-UHFFFAOYSA-N 429.495 4.725 30 10 IJEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CC(C)(C)O1 1303970803 AGMXLMJVEXSUIB-UHFFFAOYSA-N 441.988 4.974 30 10 IJEE C/C(=C\C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1cccc(F)c1 1304252438 MTSBRQIGHUVRKD-QWCJWFIWSA-N 431.298 4.858 30 10 IJEE C[C@H](c1nc2ccccc2s1)N1CCN(c2c(Br)cccc2C#N)CC1 1306919617 FKOFZWRFOJZSJZ-CQSZACIVSA-N 427.371 4.814 30 10 IJEE C=CCn1c(SCCCCCn2cccn2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307238195 WFJVJKVMYNHLPW-INIZCTEOSA-N 428.627 4.928 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccc(OC)cc1)C(=O)OC 1307242904 WVSGKHXRKRMKBK-GOSISDBHSA-N 429.929 4.806 30 10 IJEE C=C(C)[C@@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1307700055 YMHYNGMMDSGQBX-RJGXRXQPSA-N 446.538 4.669 30 10 IJEE C#Cc1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 1311419925 FUXWGYVRLYHEPN-RUZDIDTESA-N 436.559 4.847 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)c1ccc(F)c(F)c1 1312534727 HKKCBSDSFPBFQA-WOJBJXKFSA-N 437.531 4.965 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 1312536871 BSDPHGHLVYUTGP-NGICGMGXSA-N 442.922 4.886 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](SC)C2)CCC1 1315979333 FKTHHQLYQXZRBU-NRFANRHFSA-N 439.629 4.745 30 10 IJEE CC(C)(CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)NC(=O)OCc1ccccc1 1354273179 CPNZNHZKZWZCDI-UHFFFAOYSA-N 447.457 4.544 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 1356063603 FNCFGVIXGNDUHR-UHFFFAOYSA-N 429.192 4.870 30 10 IJEE C=CC[C@]1(C(=O)Oc2cc(Cl)cnc2Br)CCCN1C(=O)OC(C)(C)C 1357844225 TWKMWKFJMMXSPR-GOSISDBHSA-N 445.741 4.749 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OCC)C1 1358906545 LCOMQRFOWIGBJY-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC1(N(C)C)CCCCC1 1359017309 ZNGLCOSNKIPPRR-UHFFFAOYSA-N 425.596 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359109019 MMGDHUAUSNCSMK-NHCUHLMSSA-N 434.632 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ncc(CC)s1 1359109174 RGINGAQCGIIUOK-UHFFFAOYSA-N 426.546 4.517 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)c1ccsc1 1359116050 VXYDVEHEJXFEAS-DEOSSOPVSA-N 435.597 4.653 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1359160310 QYIABLFCAFICFL-CTNGQTDRSA-N 447.549 4.861 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(CCC)CC2)CC1 1359175930 GBZYFXCSZCGPCA-UHFFFAOYSA-N 429.012 4.518 30 10 IJEE C=CC[C@H](Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1C(C)(C)C)c1ccccc1 1359195133 HIZWYDFEELGZBQ-LJQANCHMSA-N 435.538 4.620 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCSC2)C1 1359224507 UKWRUAGQKBKHHW-OAQYLSRUSA-N 436.984 4.664 30 10 IJEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1359232356 SFZGVVDGJPHAJC-BSRJHKFKSA-N 430.980 4.713 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1ccccc1F)C1CC1 1359252534 VOOQJCFIXKFWPQ-UHFFFAOYSA-N 425.577 4.906 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1359269281 VMQAUYZMJABRHC-UHFFFAOYSA-N 435.572 4.691 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)OCc1ccccc12 1359343343 RAKXLILZDVFDAW-UHFFFAOYSA-N 426.630 4.812 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccccc1 1439951771 QWIFGEDGRWSKEH-GDLZYMKVSA-N 427.957 4.925 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1443408657 MSHRMOUNVMQPGY-IBGZPJMESA-N 438.527 4.806 30 10 IJEE CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1448113976 DJEQUWZNCNONNS-DEOSSOPVSA-N 442.519 4.813 30 10 IJEE C=CCN(CCC#N)C(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1450199873 XABDTIDFUMXLAV-VWLOTQADSA-N 445.563 4.820 30 10 IJEE C#CCN(C(=O)[C@@H](C)CCOc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1456443818 FDIILXHXBFCWCE-LAUBAEHRSA-N 442.353 4.840 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 1458178098 XPSZNZWIIRYOQI-QUCCMNQESA-N 437.506 4.757 30 10 IJEE C=C(COc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1)C(=O)OCC 1458999165 UUCKYJYMNFUJTA-UHFFFAOYSA-N 429.270 4.664 30 10 IJEE C=CCN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)[C@H](Cc1ccccc1)C(=O)OCC 1459003607 YVNRZNNUQMEWJT-FBRRREGBSA-N 426.582 4.643 30 10 IJEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)cc1 1463723623 JPLNWWZGQJKFTQ-UHFFFAOYSA-N 427.909 4.623 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2)nc1 1464627086 JILIFTKQOLGGSF-GOSISDBHSA-N 431.920 4.526 30 10 IJEE C#C[C@H](NC(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(Cl)cc1F 1470667380 QPEAMDWXWQADSV-RBUKOAKNSA-N 439.959 4.734 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C(C)(C)c2ccccc2)cs1 1471116033 TVSYFFWVQAGPII-KRWDZBQOSA-N 427.570 4.714 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)c2ccccc2Cl)CC1 1472304205 YJZDGHZIVYXLNR-UHFFFAOYSA-N 449.938 4.826 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 1472548693 YXYXUQXIXMBTFT-XMMPIXPASA-N 444.531 4.687 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)cc1OC(F)(F)F)c1ccc(F)cc1 1476535492 LNDGHVMNFYFBRH-ZDUSSCGKSA-N 431.183 4.983 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccc(C)o1 1507579396 VIMXVHIGGMWKLD-QGZVFWFLSA-N 442.361 4.702 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCc2cc(Br)ccc2C1 1507775030 GOLXLCWLDMVGIU-UHFFFAOYSA-N 440.183 4.635 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC=C(C(C)(C)C)CC1 1507830089 SEDOMRGACAANFC-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCCOCC1 1507911737 NHMZNTNIJCMTBK-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1)N(C)C 1508007294 ZEGFJIHUXUEVFF-QFIPXVFZSA-N 432.597 4.830 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1514089770 DUWQMRVJJYSNNR-SFTDATJTSA-N 434.632 4.811 30 10 IJEE CCCC1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1514359860 DHOFMWGDIPTYAI-KRWDZBQOSA-N 431.993 4.533 30 10 IJEE C=CCN(C(=O)c1ccc2nc(CC)c(CC)nc2c1)[C@H](Cc1ccccc1)C(=O)OCC 1516154123 CVTOYTHVICJWJG-RUZDIDTESA-N 445.563 4.557 30 10 IJEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)(C)C 1517863252 HBSXKAWXBGPOOL-GHTZIAJQSA-N 439.604 4.662 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1CCc1sccc1C 1518523007 FTSSPSJHKWLCEL-MRXNPFEDSA-N 441.626 4.788 30 10 IJEE C=C[C@H](CC)CC(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(C)cc1 1523811380 KARZZLYMQJPLQR-ROKPMTFOSA-N 429.582 4.891 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2(CC)CCC2)c1 1525008871 QMBWRTPAOQBTOT-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE C#C[C@@H](NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1 1525039186 RSLXJOOLQPJBDG-OAHLLOKOSA-N 439.224 4.697 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1 1525578304 PGDKTQZCBKJHFO-UHFFFAOYSA-N 430.327 4.714 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1526174453 AZMYFVMBMOSJBC-AOMKIAJQSA-N 441.453 4.910 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 1526438468 AIISHCRNYLUNSQ-AREMUKBSSA-N 432.539 4.877 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC(F)F)cc1Br 1529344363 CTJMJLBCMZEDRU-UHFFFAOYSA-N 431.620 4.593 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ccccc1OC(F)(F)F 1531612572 IBOUEGYQZFIXSE-UHFFFAOYSA-N 438.398 4.647 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccccc1 1534343933 JZXDZOTZNIPDKL-HSZRJFAPSA-N 426.582 4.545 30 10 IJEE C#CCN(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)[C@@H]1CCCc2ccccc21 1538600352 UTDIBRMTRUWFOZ-AREMUKBSSA-N 428.532 4.952 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1c(C)noc1C 1539343287 IVBZKNPDSSOQNQ-QAPCUYQASA-N 441.963 4.940 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCn1cccn1 1539352435 ZGNQXQYPZAEZIH-UHFFFAOYSA-N 434.544 4.559 30 10 IJEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 1539729021 CEYDXLKQWYQLNL-HXUWFJFHSA-N 437.268 4.990 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(F)(F)Br)CC1 1539855803 HUEUPARDHKLPCT-UHFFFAOYSA-N 441.320 4.618 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@H](C)N(CC)CC)CC1 1539875494 SGUIVOZNYAUIAG-HXUWFJFHSA-N 432.616 4.934 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1539921522 YZVIYDOTTVXHPO-KRWDZBQOSA-N 430.597 4.553 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1nccnc1C)C1CC1 1540094144 CULLOMHQTGYEHY-KRWDZBQOSA-N 438.963 4.567 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC1(SC)CCOCC1 1540121785 WVFBFYVNXBVMGK-UHFFFAOYSA-N 439.629 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1(C(C)C)CC1 1540128847 QHORHJTYLHFHKU-UHFFFAOYSA-N 426.568 4.764 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@@H](C)C1 1540879807 OPYMPHQRANWMGS-INIZCTEOSA-N 441.988 4.548 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](COCC)C1 1540912600 FEKZYKSFBKUINF-LJQANCHMSA-N 439.629 4.609 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1540913203 KJFDERXYXYZNFN-JOCHJYFZSA-N 435.597 4.918 30 10 IJEE C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1542531956 XFLGEYRICPBOKJ-GHTZIAJQSA-N 439.408 4.598 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1Cc1ccc(Cl)s1 1555556552 IBEDSNLLPOUQHF-UHFFFAOYSA-N 436.368 4.728 30 10 IJEE CC#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 1557364726 XBPJXAFGOJRROJ-PUWPPSGDSA-N 430.935 4.879 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(Br)cn2)nnc1-c1cccc(C)c1 1559321017 AHIJHWUKDHWGHX-UHFFFAOYSA-N 429.343 4.572 30 10 IJEE C#C[C@H](NCc1cccc(F)c1I)c1ccc(Br)cc1 1560854431 HEGUGDCMWISRSQ-HNNXBMFYSA-N 444.085 4.657 30 10 IJEE CCOC(=O)c1c(NC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)c(C#N)cn1CC 1562960199 FOVXYULYWVXWAH-CQSZACIVSA-N 428.920 4.967 30 10 IJEE C=CCC1(NC(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)CCCCC1 1563389453 BXLJQDZKYIUTMA-QGZVFWFLSA-N 429.565 4.949 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 1564226183 IIVRAPAVGWDOJR-AZUAARDMSA-N 431.458 4.817 30 10 IJEE C#CC[C@@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C)c1ccccc1 1564384799 GDEMTTYQFWLCNZ-TZIWHRDSSA-N 425.573 4.572 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 1564787365 OKJVIUBOEYSONE-AREMUKBSSA-N 426.516 4.542 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc(F)cc1 1564996403 WKMPQMHOLICJFD-XLIONFOSSA-N 438.890 4.793 30 10 IJEE C#CC[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)C1 1570662103 QROIPOPSJCYICV-AWEZNQCLSA-N 437.396 4.626 30 10 IJEE C=CCC1(C(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)CCOCC1 1583687017 SPHGXCWYLDZQCO-FQEVSTJZSA-N 428.573 4.622 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCO[C@H]1C(C)C 1588186138 SVPJYINEYWHUTE-ZCYQVOJMSA-N 444.623 4.662 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccccc1F 1589126204 XNVFBUPRMSPYDP-YFVAEKQCSA-N 444.620 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1589543910 CRJRCFSSWMFHBS-LSWJPFSZSA-N 445.007 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(C)=C(Br)C1 1589559935 VNYYIAQNULGMMQ-NQIIRXRSSA-N 449.437 4.871 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1589560455 ZNUXSXBVMSEPJV-MJKGWSOKSA-N 426.527 4.627 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(Cl)cc1Cl 1589578029 FFJQQWVWVZIARD-FZKQIMNGSA-N 433.343 4.710 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1593671992 WNDVGBAVGXFVOU-UHFFFAOYSA-N 447.583 4.747 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1593712275 XBLGYQLPHBEGHM-QHCPKHFHSA-N 437.632 4.510 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)CCC(C)C)CC1 1594122687 VAKXXSLHZPZREQ-RUZDIDTESA-N 426.605 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1594483745 BLFASRMNMSMRNK-UHFFFAOYSA-N 431.588 4.799 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1594582727 SPGJDFNACZYIPU-UHFFFAOYSA-N 449.559 4.631 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1594680159 NURIWQXSKCMJCE-VIZSFHNOSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1594709197 LGENFNQQBIYJOK-GOSISDBHSA-N 429.996 4.697 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 1594727272 NEXCHAZSEJBBKS-OAHLLOKOSA-N 425.396 4.946 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cc(C)on1)C1CC1 1595033317 FPPUCKZMVHPJTL-UHFFFAOYSA-N 448.752 4.861 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@H]1CCCN(C(C)C)C1 1595075390 CVQXEEPFRMYVAW-QFIPXVFZSA-N 437.632 4.867 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(Cc1ccc(F)cc1F)C1CC1 1595866360 HVDRRGFWNYBVNT-UHFFFAOYSA-N 429.540 4.650 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 1596886675 PAGLDNGMRIEYIW-HXUWFJFHSA-N 429.314 4.928 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)N(CC=C)CC=C)cc1)c1ccc(Cl)cc1F 1622964538 GVGVKOHGSLAGQB-NRFANRHFSA-N 425.891 4.789 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccc(Br)cc1 1623093782 INOUWQVMPUPDMH-UZTOHYMASA-N 447.398 4.992 30 10 IJEE Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)C 1625370246 FRMUINJZADHXIE-FQRUVTKNSA-N 427.548 4.867 30 10 IJEE C=CCCOCCCCC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 1626447639 CQQWOZUDQXUBTN-GOSISDBHSA-N 434.552 4.619 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1 1626770040 YNYORBPZJIHPIK-VWLOTQADSA-N 443.591 4.742 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3Cc4cc(Br)ccc4C[C@H]3C)cc21 1627746307 GCFDRZPUSWEPTR-CQSZACIVSA-N 425.330 4.964 30 10 IJEE C=CC[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)OCC 1633797574 PTLLTCHFEFPIBW-NRFANRHFSA-N 426.463 4.670 30 10 IJEE C#CCCCNC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1634802729 MBBIMMHPXWXHJP-UHFFFAOYSA-N 438.527 4.869 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1636098376 HATRFGGSUILPLK-OFVILXPXSA-N 427.589 4.606 30 10 IJEE CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)c1ncc(C#N)cc1Cl 1650975116 BPDZUMRYVDYTGK-HNNXBMFYSA-N 436.737 4.563 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 1651266514 IUMCKGNUJYSTTF-HDICACEKSA-N 427.526 4.700 30 10 IJEE C=CCNc1nnc(SCC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)s1 1652566144 NSOFHQXEPGYZLR-UHFFFAOYSA-N 431.612 4.943 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(CN2CCCCC2)cc1 1660801126 IMFDIMSMSUTPGQ-UHFFFAOYSA-N 427.386 4.737 30 10 IJEE CCc1nc(CN2CCN(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2)cs1 1661010573 HTPSQUGZBHXRDW-UHFFFAOYSA-N 447.564 4.719 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Br)cc1 1664546859 SLAYSCCHYUIWHV-IBGZPJMESA-N 434.399 4.964 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NC1(c2ccc(Br)cc2)CCC1)C(C)C 1665701953 SIRQZTCTPACQTF-FQEVSTJZSA-N 434.422 4.826 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 1666389207 BLYKXMHJELOGFD-FQEVSTJZSA-N 427.476 4.689 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cc(F)c(I)c(F)c1 1668657250 CNFVOERDOHHUNF-UHFFFAOYSA-N 446.210 4.929 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CC(c2ccc(C)cc2)=NO1 1670844717 BDBXQXCZCYMDGX-KRWDZBQOSA-N 444.329 4.637 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC(C)(C)c3ccccc32)cc1 1673397854 BYUPCCIMALNGGO-UHFFFAOYSA-N 427.570 4.603 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1673799754 UKHFMRDTRLYKCV-AVCGJXAMSA-N 443.385 4.797 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1ccccc1F 1676512453 XFFCZSSWHORZPR-UHFFFAOYSA-N 425.273 4.504 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)cc1 1681270694 MUTGCFXSJBJUOG-UHFFFAOYSA-N 433.552 4.563 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc(Cl)cc1F 1681975198 PCTSDXOUGKWIFQ-DOPJRALCSA-N 439.687 4.910 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1682070965 BLMGVBCPJUMDMV-CABCVRRESA-N 427.998 4.793 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1682726248 SQBCPTZSVJELQE-IBGZPJMESA-N 428.527 4.921 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 1686301169 BYUFRCFNBWIHPP-NRFANRHFSA-N 428.577 4.562 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 1686920398 XCKSLBGIUMCZAT-NFBKMPQASA-N 439.600 4.820 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N1CCCCC1 1689954067 KGJUWZHXOUWZSE-FQEVSTJZSA-N 441.938 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C(C)(C)C)C1 1690241932 ZBONOPNCAACSSK-HBFSDRIKSA-N 429.996 4.847 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](C(C)C)C1 1690287422 ACUNIFJBWVPBKB-OALUTQOASA-N 449.665 4.547 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CC=CCC1)c1ccccc1 1690326282 YDHDBOAVZUFBBC-HXUWFJFHSA-N 447.608 4.776 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[C@H]2OC)CC1 1690399283 SBAZSOKYVRBXCB-HFSMHLIXSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690422346 MEBGWTCOIPLSLI-IRXDYDNUSA-N 444.601 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1690439834 QEYJOPPBJWJASU-DEOSSOPVSA-N 444.645 4.978 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CSCCS1 1690515732 SBSJXXJKEFWREX-WMLDXEAASA-N 425.023 4.542 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CN2CCCCCC2)CC1 1690629117 DUQQILGUMRCNCC-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC2CCCC2)nc1 1692401528 FVBYGMBIVZLIEH-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)C1 1695356127 DJXMJEIGFAKKQK-OAQYLSRUSA-N 432.572 4.557 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@@H]1C 1705477834 SMKGOZVGRSSRAK-UFYCRDLUSA-N 444.023 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1coc(-c2cccs2)n1 1705501550 JSWYLMBEMSTVFE-KRWDZBQOSA-N 447.564 4.642 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1705507854 FRVHAJXIKQMANR-IBGZPJMESA-N 431.378 4.545 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1c(C)noc1C 1705542356 DRNLBHUNQCZHAI-PBHICJAKSA-N 427.936 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC[S@](=O)C(C)(C)C 1705712476 VBQBZIFOFVQPLN-LJAQVGFWSA-N 439.025 4.557 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(CC)c1 1705732715 AISVBIXJWDATBX-UHFFFAOYSA-N 449.386 4.697 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(Cl)c(OC)c(OC)c1 1705847209 JHBWYIWPKCYNIY-OXQOHEQNSA-N 448.995 4.538 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(C(C)C)C1 1705877936 RIPODYIDFXLXNF-QHCPKHFHSA-N 432.616 4.629 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CC(C)(C)OC[C@@H]1C 1705913377 MEGKTCABIBEPJF-SFHVURJKSA-N 438.597 4.547 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@H]1C 1706560205 ATUGOTBSUJWBNM-KOSHJBKYSA-N 435.597 4.844 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(COC)CCCCC1 1722279978 INANFNBOVPPPLJ-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1CSC 1722325387 IQKVNVXLNPJYJU-OAHLLOKOSA-N 437.382 4.592 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](CN(CC)CC)C1 1722325762 OFULYYUDDCUQCC-UXHICEINSA-N 439.673 4.713 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(F)ccc2C1 1722479743 HGTNAQILUDPZLC-UHFFFAOYSA-N 448.727 4.604 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1722485211 XSAIQECROBZHOG-MRXNPFEDSA-N 430.350 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCN1CCC 1722513641 DCOXDGLIGATCBY-LJQANCHMSA-N 431.575 4.814 30 10 IJEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CC[C@H](SCC)C1)c1ccccc1 1722542251 WHDDEOWMSAWUEA-FSSWDIPSSA-N 426.630 4.996 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCCN2CC)CC1 1722564410 PKXDVAQSFWWROJ-VQTJNVASSA-N 427.568 4.588 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCCOC2)C1)C(C)C 1722666824 SAPJGCGIAIPMJQ-BKMJKUGQSA-N 443.680 4.572 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740596154 UQYOEDMVSJUXAH-FQEVSTJZSA-N 428.527 4.705 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](SC)C(C)(C)C 1740633709 QNEUKGZBIAQDPI-UTKZUKDTSA-N 440.682 4.982 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1Cc1cn(CCCCC)nc1C 1740732957 WCLFTXHRJRZHIK-AREMUKBSSA-N 448.590 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=C)Cl 1740770127 HFBPKJLOHOVHEE-UHFFFAOYSA-N 425.758 4.871 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccc(F)cc2C1 1740785855 GGVPMDAPFKMLOZ-FQEVSTJZSA-N 441.551 4.628 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CCC2)CC1 1740825052 ICOLDTIHRVNWRQ-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(=C)Cl)CC1 1740838916 BLQYBYPYKDFABS-UHFFFAOYSA-N 436.000 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCOC 1740845170 HIULHTJCBQTIEA-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1CC 1740847972 YVXNAXJIGZJBHH-RXVVDRJESA-N 448.615 4.902 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740858231 LYTBIFYLNROZPA-FGZHOGPDSA-N 444.645 4.580 30 10 IJEE C=CCCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C#N)C1 1740860570 ILPUIXMWZFIIDO-IBGZPJMESA-N 437.544 4.898 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@](C)(CC)O1 1740893514 MNVFRNABSNMDKU-YWZLYKJASA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 1740908645 GBGVXAHEFOPXBW-JXFKEZNVSA-N 443.389 4.844 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1cnn(C)c1 1740927728 MMBIOXRRLVUVND-SFHVURJKSA-N 436.629 4.676 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(CCC)C1 1740929534 XZWVGBUSNCFIDH-SFHVURJKSA-N 444.421 4.618 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1 1740935338 JTXZDCNOVWBGHW-YADHBBJMSA-N 426.630 4.693 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccccc2C)C1 1740944237 UDUHIDRBVVMQOG-MRXNPFEDSA-N 426.362 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(CCOC)CCC1 1748642423 OKVKBFFWMBIGKM-ZWKOTPCHSA-N 430.980 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCS1 1748686324 NDFBWIIQZHJOAT-GHTZIAJQSA-N 426.630 4.898 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC1CCOCC1 1748701639 NCHPIWUWWBVMSV-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1749048003 GIKJQPNACRQMFA-UHFFFAOYSA-N 448.967 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCOC(F)F 1749053824 MOIPFYWSJOEGBG-WZONZLPQSA-N 432.515 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](OC)[C@H](C)CC 1749080307 LBJTWFZFJDEUHI-ZILOHOTNSA-N 426.630 4.932 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C)cc1OCC 1749163964 VTNWSXIYKGYZPH-UHFFFAOYSA-N 444.583 4.674 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749280110 DHPAQFJIJMSVPV-QHCPKHFHSA-N 432.996 4.868 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(N(C)C)CCCCC2)CC1 1749312566 NTAUOLVHQWISSS-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749359269 XYRPXGPBLSGRPJ-DENIHFKCSA-N 434.588 4.594 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749438369 WAXKPTJNDFCYAW-HXUWFJFHSA-N 444.023 4.789 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CCCO1)C1CC1 1749511888 OMAVPWBVQWLQHN-HXUWFJFHSA-N 435.341 4.571 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCC(C)(C)C1 1749566018 VAKHXDXCPIQBSK-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCSC(F)(F)F 1749585000 VDQDWTKUUMZRMF-SFHVURJKSA-N 440.535 4.660 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@H](C(C)C)C1 1749748834 AOVZFZMDJASZFN-FQEVSTJZSA-N 439.654 4.990 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C#N)cc2)n1 1751735983 AVJLGYYNCURCGN-HNNXBMFYSA-N 432.553 4.923 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCCC2)C1 1760145349 NIZSXCIPDDDVEK-IBGZPJMESA-N 426.536 4.510 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1760157892 GOQSKBBFTGXBSK-SJORKVTESA-N 431.378 4.658 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H](c1ccco1)N(C)C 1760243039 BDWWPZMHYUHWSN-QHCPKHFHSA-N 449.574 4.686 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760272816 WKLKZJIEKDELMS-UWJYYQICSA-N 439.629 4.529 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H](OC)C(C)(C)C1 1760316822 XJXVBUVXWZDWPV-LDVJMBRRSA-N 438.616 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1760317296 DIBKXHVCMIQYSR-QYXIYQDXSA-N 437.563 4.666 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cc(C)on1 1760351591 IVYIIYZAALNDIZ-MRXNPFEDSA-N 441.601 4.657 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1760380396 AQHQTUKDKSKRPR-FCGDIQPGSA-N 437.028 4.733 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CCOCC)CC2)CC1 1760384798 HKFKJYLJJBTZRY-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](C)c2nccs2)CC1 1760385616 YFCWXWMKSDSYKI-QGZVFWFLSA-N 439.585 4.769 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)OC(C)(C)C)CC1 1760398422 XURQEYZKEVQSJF-UHFFFAOYSA-N 431.968 4.526 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760435083 XAMFBSRWOLDTOT-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1Cc1cscc1C 1760477937 PDCUWXKCCILNCH-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1760506279 AUAKUSPEZKLIOF-VQTJNVASSA-N 446.599 4.509 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCCC[C@H](SCC)C1 1760534331 WAIMDFQZFCESIZ-NRFANRHFSA-N 426.630 4.956 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[C@@H]2CC)C1 1760536202 FELDQQWADULXJI-XYJFISCASA-N 448.409 4.643 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCSC(C)C)C1 1760545124 OAOCRQNPAHEBOY-LJQANCHMSA-N 439.585 4.523 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@H](F)C1 1760688358 GPSMIEGFVIGWFU-MCIONIFRSA-N 438.320 4.581 30 10 IJEE COc1cc(/C=C2\SC(=Nc3ccccn3)N(c3ccccc3)C2=O)cc(OC)c1O 1772731589 OCNLOTNVOXTBMZ-ALBAOUQLSA-N 433.489 4.613 30 10 IJEE N#Cc1ccccc1NC(=O)c1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccn12 1858243360 YNJDOVHWQXIDCZ-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE N#Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)c2)cc1 1860888216 SLTCMDNYYKEDSP-QHCPKHFHSA-N 438.531 4.661 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862384550 UZBXKZJCCSMBRZ-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1c(F)cc(F)cc1F 1862456812 AYBPTYLJDRFLQN-IBGZPJMESA-N 445.418 4.650 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478208 BDZIULUUFHOKDJ-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2)cc1OC 1862576464 VHLIQBBJEQUXRU-HFXUHXBXSA-N 435.520 4.861 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl)c1ccc2c(c1)OCO2 1862627523 PCFQZFKPEPAFOB-OAQYLSRUSA-N 439.895 4.980 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(OC)cc2)cc1 1862689269 MEZYSPXLAGOZCP-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(F)c3)C2=O)ccc1F 1863094086 QLBYHCKZNIKIHT-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3ccco3)C2=O)cc1 1863283739 IMJTZVVNCBMURC-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)c1 1863315962 ZQKGVQYSGZZFLI-UHFFFAOYSA-N 443.453 4.846 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1 1863452861 WYDUVDKRHWGSRB-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)c2ccc(OC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633233 NQZPVOFAJDRUJZ-ZDUSSCGKSA-N 431.319 4.619 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(C)cc1 1864249707 KRGKUDXCPNCFAM-QFIPXVFZSA-N 438.616 4.988 30 10 IJEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)CCCCCC(=O)N1CCCCCCC1 1866198032 YKLVCQDLPKJZEE-UHFFFAOYSA-N 439.535 4.565 30 10 IJEE CCc1ccc2[nH]c(C(=O)Nc3ccc(C#N)cc3C(=O)c3cccc(C)c3)cc(=O)c2c1 1866488126 NZLKYYYSFQQDJY-UHFFFAOYSA-N 435.483 4.754 30 10 IJEE COc1cccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCc4nc[nH]c4[C@H]3C)n2)c1 1868516670 WMBMGKPFXJVAHY-MRXNPFEDSA-N 437.507 4.614 30 10 IJEE Cc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1[N+](=O)[O-] 1870150562 LGYKMGZQOCIKTH-UHFFFAOYSA-N 432.484 4.855 30 10 IJEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN1CC(O)C1 1870489114 DGHAUFCGJJZDQH-UHFFFAOYSA-N 426.601 4.581 30 10 IJEE C#CCOc1cn(Cc2cccnc2)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870559694 NJBPALQSUOYBAR-UHFFFAOYSA-N 449.554 4.506 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2cccc(C)c2)cn1Cc1ccco1 1870780470 VHBLRLHNDKTNCS-UHFFFAOYSA-N 448.563 4.820 30 10 IJEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870813805 DUXSAPQYARXEAL-UHFFFAOYSA-N 433.508 4.853 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccc(C)c(Cl)c2)cc1=O 1870838877 YZHWWPMQRRRFQJ-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE CCCCCCCCCCN=c1nc(N2CCOCC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647271 OOWDWAVTOOBXCS-UHFFFAOYSA-N 447.027 4.502 30 10 IJEE C=CCN(CC=C)c1nc(=NCC(C)C)nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]1 1871660168 JSIHVOVCWKQQDC-UHFFFAOYSA-N 435.620 4.520 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871764030 LDMGABYNJZGAPK-NRFANRHFSA-N 444.597 4.605 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871883636 HPIMVZGLWZLKEM-FQEVSTJZSA-N 444.597 4.523 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 1872111768 CODUXABFCILRAF-MRXNPFEDSA-N 440.915 4.550 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2cc(F)cc(F)c2)C1=O 1873110798 IZTUWOFJLNLEIM-UHFFFAOYSA-N 449.586 4.727 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874253838 NLAKSQYQXQFAQX-XQNSMLJCSA-N 439.541 4.891 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2C)cc1 1874489154 COYRGYGVSQCFOH-MFKUBSTISA-N 435.597 4.960 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1OC 1874502354 CXOHQFFSLYFBCE-AFUMVMLFSA-N 448.548 4.769 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(CC)cc1 1874511416 XIOXQOWROIVAQU-OAKZWBAKSA-N 435.597 4.645 30 10 IJEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c1 1874620508 FCQXJWLIWGBINA-YRNVUSSQSA-N 429.472 4.680 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1944733186 HUMSZHAVDBXGCH-QFBILLFUSA-N 431.533 4.586 30 10 IJEE Cc1cc(C#N)cc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951647792 JOBCXMPOZAAKTH-QHCPKHFHSA-N 426.472 4.574 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1991567805 GQVIONPZAPLZQO-FQEVSTJZSA-N 429.508 4.728 30 10 IJEE CC[C@@]1(Nc2ncc(Br)cc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2043971789 RIOBXZTYQFJLNM-OAQYLSRUSA-N 443.345 4.709 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cscc1Br 2066526638 JYYNSSUDSDQDBQ-DOMZBBRYSA-N 431.396 4.890 30 10 IJEE C=CC1(CNC(=O)c2ccc(I)c(Br)c2)CCCC1 2133085746 CVEHJXWUKFRAFM-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145272036 WNKPKEZBWCQIRL-DYESRHJHSA-N 428.349 4.951 30 10 IJEE COC[C@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CCCCO1 2146065826 GLMCWXDRCAQXBO-PXNSSMCTSA-N 439.350 4.668 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1C#N)C1CCCCC1 2181113315 XDSMXPQMZYHDHP-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2ccc(Br)cc2C#N)CC1 2181135991 GKYPRCFDMCBPFJ-UHFFFAOYSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cc(Br)ccc2C#N)CCC12CCC2 2205735450 IESQSODXLMIBRE-INIZCTEOSA-N 434.334 4.581 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2232323880 RQSWJCGHCPWWAY-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2235735187 ZDDIUTZJWKNZPG-IMFGXOCKSA-N 435.406 4.720 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C#N 2243924206 CUDPFGJVQANSLK-CLOONOSVSA-N 445.563 4.844 30 10 IJEE O[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Br)o1 2264119141 IEZOVAPDTYSPRB-NSHDSACASA-N 434.909 4.652 30 10 IJEE C[C@@H]1C[C@@](C#N)([C@](C)(O)c2cc(Br)c(Br)s2)CCS1 2266453331 FYGVDAVWRHKFJO-WQHBLYJGSA-N 425.211 4.906 30 10 IJEE C[C@H]1[C@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267113132 POXIYZPBIYEBDE-JKLQHZFJSA-N 440.437 4.664 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296225051 QMKAXYQQWKZUEA-KPLVRAHFSA-N 433.390 4.698 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)o1 2296247640 QYGZBAFKMPSCNQ-XDHUDOTRSA-N 443.499 4.576 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC=CCN1C(=O)OC(C)(C)C 2296292425 YIFJYSNZARUWMQ-PMACEKPBSA-N 433.390 4.734 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@@H](N)C#Cc1ccc(Br)cc1 2296308711 LSSSTLHEQMWTSN-INIZCTEOSA-N 431.330 4.856 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)c4ccccc4)ccc3C2=O)c(OC)c1OC 2297474492 LIUCROLEAGBXJC-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE CCCN[C@H](C#CC1(SC)CC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299642511 IIBRQFKIPOBZGX-FGZHOGPDSA-N 446.657 4.754 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@](C)(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2305403425 NTXRSQSXCRBTFR-TYBLODHISA-N 430.589 4.992 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@@H]2C[C@H]1CC21OCCO1 2309250314 HWWDYDUSMOPODC-AUSJPIAWSA-N 449.345 4.626 30 10 IJEE CC[C@@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317356390 INRMXLDFKVGTDF-SFHVURJKSA-N 432.370 4.751 30 10 IJEE C=CCC1(NC[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2321245677 WKORPAWPRDQRRJ-LJQANCHMSA-N 449.636 4.711 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1Cl)C3=O)CN(CCCCN(C)C)CO2 2322383996 OTEHYILBILRXOW-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE CC(C)(C)n1ncc(NN=Cc2cccc(OCc3ccc(F)cc3)c2)c(Cl)c1=O 2322601347 HLAGOSMRSLSZLC-UHFFFAOYSA-N 428.895 4.816 30 10 IJEE COC(=O)c1ccc(COc2c(C=CC(=O)c3cc(C)ccc3OC)cccc2OC)o1 2322657654 FHMUMFFOILTCJC-UHFFFAOYSA-N 436.460 4.867 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2324989484 TVDOWIXRTPZXJV-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE CCOc1c(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cccc1OC 2325645557 MXMLEGDIKHXWTD-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)c1 2325707034 SQWGCYVZZZPQHM-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2325722779 YKLJZBQSHIISOY-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325744952 RWOCREAFBSCSMO-UHFFFAOYSA-N 448.446 4.751 30 10 IJEE CCOc1ccc(OCc2nnc(SCC)n2N=Cc2cc(Cl)ccc2O)cc1 2326660553 NPIQMUZOLONONB-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc(OC)c1 2327458195 MOMDQJHFJNIBIS-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cn(C)c2ccccc12 2328383558 BYLSWHDVWXBDIG-UHFFFAOYSA-N 447.564 4.908 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(SCCO)nnc1[C@@H](C)c1ccccc1 2330149471 LBRIZCDCFXQJHT-KRWDZBQOSA-N 432.549 4.558 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(C(C)C)cc1 2330537085 BMRVMUXPMHDGQQ-UHFFFAOYSA-N 441.626 4.973 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(OCCC)cc1 2330619640 SCEJXWROIQOVHF-UHFFFAOYSA-N 444.582 4.723 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc2c(c1)OCCO2 2331322950 MONDBGOZNOKPMT-UHFFFAOYSA-N 426.517 4.706 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)cc1 2331496421 VGHMFWZAZQESPD-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1 2331876995 XZWJHWHYVUOSCP-UHFFFAOYSA-N 429.734 4.621 30 10 IJEE CC#CCN(C[C@H](Cc1cccc(Br)c1C)NCCC)C(=O)OC(C)(C)C 2363126530 WVCLFILEIZFQPH-IBGZPJMESA-N 437.422 4.929 30 10 IJEE Cc1cc(CN[C@H]2CN(Cc3ccccc3)C3(CCC3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681769 SOARLZQJSUQFBK-RUZDIDTESA-N 446.444 4.581 30 10 IJEE CC1(C)OB(c2ccc(CSC[C@@]3(C)CCCOC3)cc2Br)OC1(C)C 2377316285 LTOWKMBJRNMFAM-FQEVSTJZSA-N 441.240 4.798 30 10 IJEE C[C@@H](NCc1ccc(I)c(Br)c1)c1ccc(C#N)cc1 2377355559 UNKDJFVAFVDXKM-LLVKDONJSA-N 441.110 4.776 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)n[nH]2)cc1 20908398 BSWPLJMREVAKQW-UFFVCSGVSA-N 425.905 4.555 30 10 IJEE C=C(C)CN/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc2c(c1)CCCC2 22795991 WRZBDGSPWWEGEG-UHFFFAOYSA-O 444.418 4.720 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)nc1C 32534995 XOXYYFGURMVJLC-UHFFFAOYSA-N 427.551 4.690 30 10 IJEE COc1ccc(OC)c([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c1 33321210 RDCNYYGMDFXXCQ-PSLXWICFSA-N 432.476 4.664 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c1 34955440 KQCLBSMURPFHCB-GXDHUFHOSA-N 448.471 4.836 30 10 IJEE C[C@H]1CS/C(=N\c2c(Br)cc(Br)cc2Br)N1 35286968 FZXAPZAJGBBOKW-YFKPBYRVSA-N 428.975 4.687 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccc([N+](=O)[O-])c1 59789274 DDPLSCDROOETAY-UHFFFAOYSA-N 437.525 4.777 30 10 IJEE COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3F)nn21 96319734 RPXBHCCXDBJMED-OAQYLSRUSA-N 436.512 4.740 30 10 IJEE COc1cc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc(OC)c1 108012511 AZRBCZXXBHRCHR-ZHACJKMWSA-N 430.479 4.957 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)c1 169935138 GOAVWONHBNIDDJ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1OC 169951359 JLODQKDWXWGPOS-QFIPXVFZSA-N 435.520 4.842 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)s1 170063762 BQUOTTXRAYXUDF-IBGZPJMESA-N 433.464 4.554 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccco2)cc1Cl 170092372 JGLGIZUACRWPSX-KRWDZBQOSA-N 444.896 4.798 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)cc1 170130344 JJISPVNLTMEHCB-OAQYLSRUSA-N 435.501 4.631 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)cc1 170138131 MQWOZZJSNCYKMK-DEOSSOPVSA-N 445.515 4.939 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1OC(C)C 170150867 KTLGTWXYOIYZTF-OAQYLSRUSA-N 438.480 4.760 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccncc1 170199927 KZLHHKCGIDVACU-NRFANRHFSA-N 432.451 4.629 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccncc2)cc1 170201221 TWZADDVEXGXRGN-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)cc1OC 170224006 IDNRUVBPQWLNLZ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(Cl)cc1 170235011 CUWYCANDNPQUOJ-IBGZPJMESA-N 446.286 4.964 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccccc1C 170273194 NRHYVONKYWWSQI-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170297859 UMPZWOIOZFHEBQ-WNSKOXEYSA-N 445.471 4.703 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2sccc2C)c1 170313148 QBSOYDTTZKYMLY-FQEVSTJZSA-N 443.565 4.849 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(Br)c2)o1 170402170 KXACZRYQDYNHAP-QGZVFWFLSA-N 428.238 4.726 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 170446432 QOAKYKUAHJCDPW-DEOSSOPVSA-N 436.552 4.662 30 10 IJEE C=CCNC(=S)NCc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 170548470 LQGCRLCBHYHLBA-UHFFFAOYSA-N 425.579 4.644 30 10 IJEE O=C1N/C(=N\N=Cc2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccc(F)cc1 252511228 FGQHVSFPXJJRPM-IBGZPJMESA-N 427.888 4.903 30 10 IJEE CCOC(=O)c1c(N=Cc2c(C)c(C#N)c3nc4ccccc4n3c2O)sc2c1CCC2 254484872 PQVNSZBXRBAXBW-UHFFFAOYSA-N 444.516 4.851 30 10 IJEE N#CCOc1ccc(CNc2ccc(Br)c(I)c2)cc1 312865598 YGZQMXXNWGFPEN-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCC 407016055 QOIGTZJWVALQLW-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE COc1ccc(C)cc1C1(CNC(=O)c2sc3ccc(C#N)cc3c2C)CCOCC1 429817909 FJIGXQJKGRITPV-UHFFFAOYSA-N 434.561 4.877 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2CCC(C#N)CC2)cc1OC 442974725 RVAOPMGFCWRQJQ-UHFFFAOYSA-N 444.535 4.616 30 10 IJEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1c[nH]c2ccccc12 460735111 LEAKYYONUXIAJI-UHFFFAOYSA-N 428.540 4.751 30 10 IJEE O=C(NCc1nccc(C(F)F)n1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 481308684 AINMEYTWKRMGTD-LBPRGKRZSA-N 428.283 4.536 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 491761410 YUZAMWJMACNGNK-JOCHJYFZSA-N 438.616 4.621 30 10 IJEE C=C[C@@H](CC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 501217990 ZXHTVNQQQWLGKQ-UGKGYDQZSA-N 428.536 4.728 30 10 IJEE CC(C)n1c([C@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2)nc2ccccc21 506495256 OPQWQOBMVQVCQN-BVZFJXPGSA-N 438.572 4.585 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 508920673 VLPAHOTYZAZFBG-GAJHUEQPSA-N 429.499 4.785 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)n1nc(C)cc1C)c1ccc2c(c1)OCO2 517655057 QXQYGVNJTKGJGT-IBGZPJMESA-N 433.508 4.588 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)cc2)c1OC 526607508 RHVOEZXTCCCNTB-HSZRJFAPSA-N 426.472 4.941 30 10 IJEE CCCOc1c(OCC)cc(/C=N\n2cnnc2SCc2ccccc2)cc1[N+](=O)[O-] 526800334 ORMZHNDXBVLPAG-QRVIBDJDSA-N 441.513 4.548 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 558980891 NJDYWYFTAAUHSB-UHFFFAOYSA-N 435.616 4.749 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 574368449 LACDTZXTFWJYOZ-XMMPIXPASA-N 446.551 4.500 30 10 IJEE C=CCC1([C@H](NCC)c2c(Br)cnn2CCC)CN(C(=O)OC(C)(C)C)C1 722921381 XGWFKTQYKXUGTC-QGZVFWFLSA-N 441.414 4.519 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)nc2c1cnn2[C@H](C)CC 726319528 JRNFKSKRCQFGMI-UZLBHIALSA-N 431.540 4.797 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 733202631 UMJYRVSREHIVDL-QFIPXVFZSA-N 427.529 4.823 30 10 IJEE C=CCOc1c(Br)cc(CNCc2nc(-c3ccncc3)cs2)cc1OC 733331357 LBHLECLVBKWJHD-UHFFFAOYSA-N 446.370 4.831 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(C[C@@H](C)c2ccc(C)cc2)C1=O 737413869 CLPFYBQTZHCNPA-DNVCBOLYSA-N 429.973 4.520 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cccc4ccccc34)n2)[C@H](C#N)C1 778034044 IKCJRLFZQOGQMN-QGZVFWFLSA-N 448.548 4.548 30 10 IJEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 780510532 NHYPGEOWEBYLQX-UHFFFAOYSA-N 443.338 4.934 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 792227740 BWXNOAHSCHKNFU-LOSJGSFVSA-N 427.504 4.654 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(CC2(CC#N)CC2)C1=O 797424720 AVHNCKPSTJVJCX-IBGZPJMESA-N 440.613 4.695 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2CC[C@](F)(c3cc(C)cc(F)c3)C2)c1=S 799952791 GDVHTGIMIBDBGA-JOCHJYFZSA-N 427.524 4.638 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)cc1OC 808946120 PZCDZYOTCBJTKQ-ZRDIBKRKSA-N 445.544 4.999 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)c(C(=O)OCC)c1C 1124821494 SCKKLRPOGYWIEM-OAHLLOKOSA-N 433.913 4.508 30 10 IJEE COc1ccc([C@H](C)OC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(Br)c1 1127466293 IBHCDDJFRIJLIY-XOBRGWDASA-N 429.314 4.603 30 10 IJEE C=C(C)[C@H](NC(=O)c1nnn(-c2ccccc2Br)c1C)c1ccc(F)c(F)c1 1128140784 ABBNESYIWLQWOK-SFHVURJKSA-N 447.283 4.664 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CCCC1(C)C 1128572458 ACERRFCNQGMMKJ-IBGZPJMESA-N 427.010 4.576 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(SC(F)(F)F)nc2)CCCN1C(=O)OC(C)(C)C 1129749827 OTCXNWQZYAIEDP-GOSISDBHSA-N 431.480 4.978 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C 1136809868 GZFUIQNKRRLPSN-UHFFFAOYSA-N 437.337 4.799 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(CCc2ccc(O)cc2)CC1 1137343335 KXPPFTSNHROXEY-UHFFFAOYSA-N 431.536 4.628 30 10 IJEE C=C(C)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1141204646 YSNURHWPKQUEFW-RUZDIDTESA-N 425.532 4.745 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 1141501660 WLWQFSUDIIJMLA-SFHVURJKSA-N 428.579 4.619 30 10 IJEE C#C[C@@H](NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1141801484 XGBZNJOIBPIKSU-JOCHJYFZSA-N 438.955 4.666 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 1144404366 ZLJQRNLSAGFAPB-HZPDHXFCSA-N 426.344 4.924 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 1145063204 FPHQPSGMKNUSHQ-WMZOPIPTSA-N 442.959 4.771 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 1148211164 UAJOIZIGCNQXQP-QGZVFWFLSA-N 438.952 4.545 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 1153695697 PUOHUSWOQWHJOR-SFTDATJTSA-N 444.959 4.539 30 10 IJEE C#C[C@H](NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F 1157507025 CGMMQYFBMBXBMT-ZEQRLZLVSA-N 437.898 4.972 30 10 IJEE N#CCCN(C(=O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1)c1cccc(Cl)c1 1165727299 AURJKUOPKSIVFY-UHFFFAOYSA-N 437.956 4.653 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(F)c1C 1166203709 UEGBAPUYUOZGIM-CYBMUJFWSA-N 435.721 4.871 30 10 IJEE C#Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)cc1 1181919124 YQOYTPVYEXFZBH-JOCHJYFZSA-N 446.547 4.691 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2c(C(C)(C)C)nn(-c3ccccc3)c2Cl)c1 1204713288 APSPMFQSUCIQDE-UHFFFAOYSA-N 434.971 4.875 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](C)Cc2cc(Br)ccc2F)cc1 1211053645 YKUZLVHHDOEAMJ-AWEZNQCLSA-N 426.351 4.616 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C(C)C 1211223083 QAYDKDPIKSJGGL-RTWAWAEBSA-N 440.415 4.775 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 1264272194 JNAOPADIQIRPRD-UHFFFAOYSA-N 448.954 4.963 30 10 IJEE COc1cc(C#N)ccc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1267665119 BBASOSSQCREZHZ-YCRPNKLZSA-N 443.906 4.686 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286318115 XRQNPMDITNQBJZ-YLJYHZDGSA-N 445.405 4.681 30 10 IJEE C#CCCCCn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1286335403 QETKTDFEJODMDA-HSZRJFAPSA-N 448.970 4.551 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc(C(C)(C)C)cs1 1286361447 PDACQHZNCPLWSU-SFHVURJKSA-N 437.613 4.907 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1286456766 VJTBRLQSVCAAPK-OFNKIYASSA-N 449.574 4.893 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CSCCS1 1286583746 RIHYJMBQFRBTIT-FQEVSTJZSA-N 432.659 4.725 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)S[C@H](C)C1)c1ccccc1 1286619718 VGDBXDJDBGMNKY-IAGOWNOFSA-N 425.627 4.677 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCN2CCCC2)CC1 1286650395 ASKHHEJHLJGQJJ-UHFFFAOYSA-N 432.037 4.866 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(C)sc(C)c2Br)CC1 1286650772 JDCRZVSIYZCGAM-MRXNPFEDSA-N 437.407 4.775 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)C)CC1 1286672320 LMIFACRCZUQXIF-QFIPXVFZSA-N 440.588 4.787 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286747027 GQDSOOAUKYPMIB-OALUTQOASA-N 445.677 4.718 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC[C@H](C)C1 1286759646 DXGRQCKHDSONSY-GOTSBHOMSA-N 446.643 4.639 30 10 IJEE C=CCSCCn1c(N2CCO[C@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1286835772 BYYPKOAQZPXOCT-NRFANRHFSA-N 426.630 4.529 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1300384966 XDKUEXJRXLWBCD-SFHVURJKSA-N 436.535 4.520 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nc(C(C)C)cs1 1300516044 HZHZWEXKTTWIDU-KRWDZBQOSA-N 449.649 4.832 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCCC2)C1 1300851272 NUBBUFMCYWZKIP-UHFFFAOYSA-N 437.332 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NC1CCCCC1 1300901748 RZNSHDDNJPNFFY-UHFFFAOYSA-N 429.996 4.840 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1300982102 AOQGAYJZOXCLOZ-UXHICEINSA-N 432.996 4.831 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1301194282 GYFYWKGQBMWMMQ-QHCPKHFHSA-N 434.588 4.846 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)nc1 1301337914 NSKDOXCEIVLEMX-UHFFFAOYSA-N 434.931 4.571 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1Cc1ccc(-n2ccnc2C)nc1 1301346324 AKJBIQGKAWLFJO-FQEVSTJZSA-N 441.583 4.922 30 10 IJEE CSC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1302511769 AESPPUWWLDVHKD-XOBRGWDASA-N 437.972 4.655 30 10 IJEE C=CCCCN(CC)C(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1304647078 SKMIUYZOZQYJER-QFIPXVFZSA-N 443.385 4.664 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccc(Br)cc2C#N)C1 1308022761 RGFUZYDUCCLVFY-LPHOPBHVSA-N 434.378 4.542 30 10 IJEE C=CCOc1c(Cl)cc(CNC2CCN(c3ccc(N(C)C)cc3)CC2)cc1OC 1308287876 ICXZEGARRCVLHC-UHFFFAOYSA-N 429.992 4.738 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)cc1C#N 1311270976 CFEKAEXFISIWRZ-IBGZPJMESA-N 438.381 4.865 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1)c1ccc(Br)cc1 1312937810 SZDXPMKDJPEECF-RBUKOAKNSA-N 431.305 4.818 30 10 IJEE C=CCc1ccc(OC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)c(OC)c1 1353761657 BSEWONNPHGROFE-UHFFFAOYSA-N 432.513 4.645 30 10 IJEE Cc1cc(F)cc(-n2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c3c2CCC3)c1 1354303746 CJFRCRCAWXQJHW-UHFFFAOYSA-N 430.527 4.979 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 1358899991 YTAAJVKAGXBOPF-QVKFZJNVSA-N 447.029 4.651 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1358916558 PIIVVDRELKREFQ-DHIUTWEWSA-N 436.600 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)c1nccs1 1359004085 IUEPKEHTXRPXGQ-SFHVURJKSA-N 447.564 4.837 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1359052964 WLJOKVKJRXOVNL-OALUTQOASA-N 442.629 4.590 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CC)(CC)C1 1359060996 NMJQLQSSKBXFOM-UHFFFAOYSA-N 433.021 4.893 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(OCCC(C)C)CC1 1359096598 DUXRKOJWIJYADN-JTHBVZDNSA-N 430.637 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCO[C@@H](C)C1 1359108967 KEWUSCWCZXVPGB-IBGZPJMESA-N 432.012 4.502 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccc(Cl)cc1 1359131537 XAPFLASQINWFDA-UHFFFAOYSA-N 425.964 4.574 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)CCOC)CC1 1359172936 ODJTZKPVAVTEJS-UHFFFAOYSA-N 439.604 4.612 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359182079 ROZGFPJSMQLEHL-HVYFLLBWSA-N 430.637 4.803 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1359182912 XNYBIYWWOLXRKA-GOSISDBHSA-N 438.906 4.835 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCCN1CCC 1359269359 YMUYHOBTMCHSFU-QFIPXVFZSA-N 430.600 4.936 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)cc2C)C1 1359325867 OGXNLAWJEWOVFV-YTFSRNRJSA-N 438.616 4.643 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359336888 FDMDCOOJEVRMBU-BHDDXSALSA-N 426.630 4.745 30 10 IJEE COc1ccc([C@@H](NC(=O)COc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 1435675796 BATSQCOFHKMGSD-QHCPKHFHSA-N 440.421 4.870 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1436652095 WLIRCAOQFLUBTF-SFHVURJKSA-N 428.717 4.701 30 10 IJEE C#CCN(C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(C)C 1439541069 RITJDOCMHBLLPZ-UHFFFAOYSA-N 436.939 4.713 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1449784163 PTBFQBIRVZGPEL-UHFFFAOYSA-N 437.337 4.799 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)nnc1-c1ccco1 1453021998 ZYPCPRMBKNINKQ-LJQANCHMSA-N 438.553 4.605 30 10 IJEE CC(C)(CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)NC(=O)OCc1ccccc1 1456657707 GOPYYYLDYNHLBW-UHFFFAOYSA-N 447.560 4.998 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCCC[C@H]32)c1 1463245652 XAUJPTIQGKGIST-XMSQKQJNSA-N 444.984 4.736 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1 1466055156 IDZCTZCSLBHWLU-OAHLLOKOSA-N 449.960 4.717 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 1466244932 ZIXKDTCBLLYDFW-AWEZNQCLSA-N 426.439 4.770 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1Cc1ccc(OC)cc1 1469872449 UHBZSKYZDSJBJH-QUCCMNQESA-N 436.980 4.655 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 1474888925 FGWSOOKIVJDUKA-JOCHJYFZSA-N 448.629 4.605 30 10 IJEE CC[C@](C)(COc1ncccc1Cl)NC(=O)Nc1ccc(C#N)c(Br)c1 1476571056 ANTRTVKFOHAMGZ-GOSISDBHSA-N 437.725 4.738 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 1477597770 FNJFBWZJGGXEGG-MRXNPFEDSA-N 440.401 4.796 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(C#N)C1)OC 1494973742 DDJKSIOXBVCPPU-ITSWEJNFSA-N 445.995 4.798 30 10 IJEE CC[C@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@](F)(C#N)C1)OC 1497210259 GWNZIBHWFMQHMT-VGSWGCGISA-N 443.523 4.680 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2ccco2)C1)C(C)C 1502584618 HJLZXTCKCUQWBU-FCHUYYIVSA-N 433.556 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1507522110 AXCADOZQQNSAPA-OXQOHEQNSA-N 444.526 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C/C=C/c1ccccc1 1507523685 QBSNGPUAFGFNJK-SHQCLWGWSA-N 427.371 4.940 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@@](C)(CC)O1 1507618756 PNISCNKKOGYZSO-IIBYNOLFSA-N 437.371 4.581 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)c1ccc(Cl)cc1 1507699351 FIOXIYSGGCZHTD-QHAWAJNXSA-N 445.007 4.697 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CC(C)C)C1 1507756775 MPHAFLNPUSYMLO-NRFANRHFSA-N 426.630 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@H](C)C1 1507813980 HVPLUKHDCWWZBL-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 1507832395 DLUCMEAKJHWIFS-UHFFFAOYSA-N 434.512 4.753 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1507884445 UPCZDQAPLRXTFH-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C=CCCCCn1c(N(C)Cc2ccoc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507936570 CYEUYNJIGTXVHV-KDURUIRLSA-N 429.565 4.635 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1507950174 ADSWZTGPPJDTSW-LJQANCHMSA-N 439.510 4.556 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 1507966574 UFTQIWQKMDONEG-PBHICJAKSA-N 443.350 4.551 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC1(SC)CC1)C1CC1 1507989092 WQTOGQRCDVXOMM-UHFFFAOYSA-N 425.421 4.820 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCSc1ccccc1 1508007054 QKQPSPYXSIWUGM-UHFFFAOYSA-N 434.594 4.782 30 10 IJEE C=CCn1c(Cc2ccccc2OC)nnc1N(C)Cc1ccc(Br)s1 1508063138 ZAPYJEVJDXYGET-UHFFFAOYSA-N 433.375 4.524 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](c1ccco1)N1CCCC1 1513204104 HPAZMGCUTCHESR-MDNUFGMLSA-N 446.599 4.846 30 10 IJEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)CC[C@H]2C)ccn1 1516882011 CXQWQPACPRHQJP-ZWKOTPCHSA-N 432.597 4.997 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1=O 1519602678 IPSIZSRMRLATRO-PMACEKPBSA-N 432.948 4.558 30 10 IJEE N#C[C@@H]1CSCCN1C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1520380903 BQQDARFQMBTCPH-OAHLLOKOSA-N 449.388 4.989 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)C(F)(F)F)cc1 1521344237 QTVKEJUTPVDTTD-SFHVURJKSA-N 439.817 4.735 30 10 IJEE C[C@H]1CCc2sc(NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)c(C#N)c2[C@@H]1C 1524019609 BWJMPLDRJCWDGH-WDEREUQCSA-N 446.458 4.552 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H](CC)CC(F)(F)F)nnc1-c1ccc(Cl)cc1 1525601062 PPUPZQXOUUBKPW-CYBMUJFWSA-N 446.926 4.971 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cc1 1526773853 IUJCEAQMXSBLCY-UHFFFAOYSA-N 427.888 4.634 30 10 IJEE Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C 1530864130 GZPOZWDXFKBTST-CVDCTZTESA-N 435.955 4.935 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 1532867776 BDWXGTXTKBHBLR-JOCHJYFZSA-N 432.486 4.979 30 10 IJEE CN1C(=O)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@H]1c1ccccc1 1537660956 HMJZLYMCQXVAOJ-QHCPKHFHSA-N 431.879 4.617 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)ccc1Oc1ccccc1 1537996827 DUPUGYMLIONYIS-FQEVSTJZSA-N 425.488 4.841 30 10 IJEE N#Cc1ccc(NC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)cc1C#N 1538985686 FUDCJAJSJOCJMQ-UHFFFAOYSA-N 430.508 4.635 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCN(C)C1CCCCC1 1539028499 BBDPCMROBKLPCA-QFIPXVFZSA-N 437.632 4.586 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1539497631 NFJRCRQIAKTSAI-WOJBJXKFSA-N 445.032 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCCCSC 1539566044 CKTGNVDDPNMFAV-XMMPIXPASA-N 426.630 4.999 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccco1 1539600758 SKXLOLAOCIQSGY-QGZVFWFLSA-N 443.345 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H](C)CC 1539621651 SBCAAWUGKIIMIL-NOXFTYBFSA-N 434.588 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCS[C@@H](C(C)C)C1 1539648196 ZXCOYKZWPIGDRW-ZDXQCDESSA-N 440.657 4.622 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C1CCCC1 1539801689 GFAHXEIOKUNCCQ-UHFFFAOYSA-N 438.016 4.914 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nccs2)CC1 1539878293 YXWNMTSQFVUTQU-UHFFFAOYSA-N 436.404 4.676 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1nccs1 1539990661 NPFLUQYLLZEXRR-UHFFFAOYSA-N 448.390 4.775 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCc1nccs1 1540122077 PADPUEUFEAMHCD-UHFFFAOYSA-N 430.537 4.610 30 10 IJEE C=CCOc1ccc(CC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cc1 1540160508 OODGJOFUUBZYNM-UHFFFAOYSA-N 430.879 4.770 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)[C@H]2C[C@H](OCC)C2(C)C)cc1 1540878203 RFQAOOCVUTUDSQ-GOTSBHOMSA-N 447.583 4.593 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CSCCS1 1541799228 AIVINOJCZLXKLH-WBVHZDCISA-N 447.699 4.862 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 1545833306 SFXFKAQTTKFCIH-GOSISDBHSA-N 439.383 4.838 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(Sc2cccc(Br)c2)n1)C(=O)OCC 1556642316 IDYCAQVHTAHPEC-QGZVFWFLSA-N 449.370 4.623 30 10 IJEE C#C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 1556781675 LLVQXTOEHMTNOR-IRXDYDNUSA-N 427.125 4.670 30 10 IJEE C=CCC[C@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 1559687808 XYQBPJLCPFCDJV-FQEVSTJZSA-N 441.538 4.855 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 1559763434 DKFOQCOYGUBQPW-WZONZLPQSA-N 443.950 4.805 30 10 IJEE N#Cc1cc(Cl)c(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c(Cl)c1 1565564018 HOZIUVPUYYGCJK-UHFFFAOYSA-N 440.290 4.834 30 10 IJEE C=CCC1(C(=O)N2CCC[C@H]([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCCC1 1583738779 HKVRBQHEGFCISD-PWRODBHTSA-N 434.621 4.824 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1584537984 DUEVOUKKQQJEMK-ACESQOTJSA-N 437.584 4.690 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 1587448395 DKSLXZGHNCJUIQ-UHFFFAOYSA-N 449.557 4.502 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccccc1 1589391168 XBEUGYPGBUUGSF-SMIHKQSGSA-N 443.547 4.792 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1Cc1nnc(C(C)(C)C)s1 1589687804 PFZUUYMWICBBEJ-UHFFFAOYSA-N 440.617 4.765 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2Cc2ccnc(SCC)c2)CC1 1594134093 LDXKGBYSCICRKR-UHFFFAOYSA-N 439.560 4.708 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccon1 1594582671 SEXHKWHMFAPEKA-UHFFFAOYSA-N 446.349 4.697 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)s1 1595099779 ILHUZLYCLHHCPY-SFHVURJKSA-N 439.972 4.609 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC1(C)CCOCC1 1595185031 KZIIMUIINRYYEU-UHFFFAOYSA-N 437.407 4.764 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOc1ccc(F)cc1 1595335529 UKSMCUOFKFFEBG-MRXNPFEDSA-N 426.561 4.972 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2cc(Br)ccc2Cl)c1C#N 1596335853 CWEXRNNWSLBJAY-UHFFFAOYSA-N 436.762 4.898 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1613137252 BSLAVCGFYBLSTN-NMNUPHIUSA-N 437.588 4.621 30 10 IJEE C=CCn1c(SCCO[C@@H]2CCCCO2)nc2scc(-c3ccccc3)c2c1=O 1613283865 OKGZFRSHRJVNOL-GOSISDBHSA-N 428.579 4.946 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)cn1 1615010072 BDROZQHLXBNSTP-LJQANCHMSA-N 444.583 4.921 30 10 IJEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cscc2C)CC1 1615406683 FUWNEMSOCAABDL-UHFFFAOYSA-N 434.613 4.546 30 10 IJEE CC(C)(C)OC(=O)c1ccccc1C1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 1617344139 BSCYABGXXRFZMP-UHFFFAOYSA-N 433.552 4.722 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)C1 1617488834 AZZSQXRAISZAAX-TZIWHRDSSA-N 425.602 4.639 30 10 IJEE C#CCN1CCC(C(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)CC1 1618080980 RPVXZXLIWAQESM-UHFFFAOYSA-N 433.390 4.692 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1 1621782064 CRBWVFKGAIZJBC-SFHVURJKSA-N 447.379 4.645 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(NS(=O)(=O)CC)c1)c1ccc(C(F)(F)F)cc1 1623621033 ZWDYYUGLRBRSNG-IBGZPJMESA-N 440.487 4.904 30 10 IJEE CCOC(=O)C1(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCC1 1626722057 HJPMLVTVSHTSCH-UHFFFAOYSA-N 426.900 4.853 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(C)n(-c4ccccc4Br)n3)cc21 1627045224 WWQXQBGNZCXCAR-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1ccccc1OC(F)F 1629763347 ZZTJKMVCOYTQCB-LSDHHAIUSA-N 432.895 4.891 30 10 IJEE CC#CCNC(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 1631917049 IFNUIZHQCSIGFQ-UHFFFAOYSA-N 447.004 4.556 30 10 IJEE C#CC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2)C(=O)OC 1637697842 YCRMZUAWFJTINL-XEPMYJLFSA-N 444.918 4.670 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 1640460281 YIBJMNALXXPRCK-UHFFFAOYSA-N 427.447 4.848 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CC(=O)OCC)c2ccccc21 1640462874 OGXHKIAWRDGIKG-QUCCMNQESA-N 444.572 4.710 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 1641739019 LINHKOFVQINXCH-HNNXBMFYSA-N 447.398 4.798 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1650972900 YJMZXMOMNWXHAY-HNNXBMFYSA-N 438.380 4.818 30 10 IJEE N#Cc1ccc(CSc2nc(O)c3cnn(-c4ccccc4)c3n2)c(C(F)(F)F)c1 1652357693 IZVLHSVSMWDKEN-UHFFFAOYSA-N 427.411 4.704 30 10 IJEE C=C(C)CN(Cc1ccccc1)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC 1652362133 YZJGXKRNWFZMAK-KRWDZBQOSA-N 431.374 4.541 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CCCC3 1656066823 GXDVVUQGWAYGEK-XHSDSOJGSA-N 445.654 4.508 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2c(F)cc(Br)cc2F)CC1 1659061314 HSAXXVHOGAYVOT-IBGZPJMESA-N 440.719 4.763 30 10 IJEE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1 1671799121 BAVKOFNWLJWKFU-UHFFFAOYSA-N 448.548 4.640 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1ccccc1 1673499161 JNGFMYMOUPPPRX-INIZCTEOSA-N 449.370 4.608 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(CC)CC)c1ccc(Br)cc1 1674170065 YOJIQWKBLZVGLJ-OALUTQOASA-N 434.403 4.567 30 10 IJEE C#CC[C@@H](NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 1681648927 QNVKASMKQSTTSD-VWNXMTODSA-N 426.495 4.981 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1681784991 YWOKMNSLCAUBOE-GHTZIAJQSA-N 447.913 4.839 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C)c1ccc(Cl)cc1F 1683688369 BUJPEORVMWPVJD-FXKZBUDASA-N 427.951 4.846 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1686025849 QTDFFIZAOVBKSW-HXUWFJFHSA-N 445.485 4.594 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC1CCCCC1 1689926575 SKWIYBRDFSENKU-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCSC(F)(F)F)CC1 1690367638 WBVZQGYZACIHNS-UHFFFAOYSA-N 434.434 4.956 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1690412627 YRMKGXHPBHLCPF-UYAOXDASSA-N 431.625 4.525 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690419762 AVHAXSHXSYXDRG-DYXWJJEUSA-N 441.595 4.832 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1690482996 FVUJSHBBLDOZOW-UHFFFAOYSA-N 445.970 4.657 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690581108 KYKGKWCXUVRLKF-SFHLNBCPSA-N 429.634 4.504 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1690607759 SMJLYIJLHQUZTJ-OAQYLSRUSA-N 448.615 4.679 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C)CC1 1690733507 GQFPNGHWTHNWPP-KRWDZBQOSA-N 427.618 4.693 30 10 IJEE CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(N2CCCCCC2)nc1 1691054155 GKMHCDAPDOZARK-UHFFFAOYSA-N 435.620 4.529 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(C(C)(C)C)n1 1705554910 PQQKLSZTDSAYNN-UHFFFAOYSA-N 428.005 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1cccc(F)c1 1705676054 KQEOGGIVMRCAJY-XMMPIXPASA-N 437.588 4.743 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC(F)F 1705677195 FRRRTMNFXPXFLP-XMMPIXPASA-N 446.542 4.776 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1705817481 LGLIUGWELMWJCL-UHFFFAOYSA-N 440.588 4.533 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccccc1C 1705889798 DUFILPJBFXLZSW-OAQYLSRUSA-N 439.604 4.914 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1sc(C)nc1C 1722304072 UMKRKGMPDJGZCR-MRXNPFEDSA-N 437.613 4.734 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722310172 HQEXACZVCIEQKT-IBGZPJMESA-N 445.405 4.762 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccccc1 1722487464 QLOGVOMQQSZLDI-SFHVURJKSA-N 444.402 4.884 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)OC1CCCC1 1722488798 DGMITDJZYHZMJT-UHFFFAOYSA-N 435.366 4.693 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)Cc1csc(Br)c1 1722523867 YPPZHZGPOGDSSV-UHFFFAOYSA-N 447.402 4.936 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCCC2(C)C)CC1 1722562319 UZJLXBCFAQPSSW-QFIPXVFZSA-N 445.405 4.805 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2C[C@H](F)c2ccc(Br)cc2)CC1 1722581960 IGUVKJUUONTGFR-SFHVURJKSA-N 437.357 4.690 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCCCC2)CC1 1722606788 UHKNYXYWQHOGBZ-UHFFFAOYSA-N 437.632 4.977 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN2CCCCC2)C1 1722734993 GCKOEKJZRGESGE-IBGZPJMESA-N 446.064 4.830 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1sc(C)nc1C 1740543304 MIRUFLQENJYKMB-KRWDZBQOSA-N 437.613 4.950 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC[C@@H]1CC 1740634455 AWTWKAPDKDISDE-IBGZPJMESA-N 444.410 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCC1(F)F 1740735354 ZQCWYJQNIJKLQT-FDDCHVKYSA-N 444.526 4.683 30 10 IJEE C=C(Cn1c(N(CC(C)C)C(C)C)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1740799936 ARMNSYFAOBVBET-VWLOTQADSA-N 426.605 4.903 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740824469 MEHRIOPJPBEYDK-LEWJYISDSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740844869 XBSAMTDPUZFLFI-IBGZPJMESA-N 445.995 4.916 30 10 IJEE C=CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(C)c(Br)c1 1740949718 PVILAJUDJMWLMY-UHFFFAOYSA-N 427.350 4.942 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(OCCC)c1 1748689819 HXKQVMUNRCIYAP-WWPVKYPJSA-N 438.616 4.686 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](C)c1c(C)noc1C 1748780578 CKRKFWJMGUMFAT-GOSISDBHSA-N 435.572 4.848 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCSC1(C)C 1748946635 MNPHWMPDCHOJQS-FQEVSTJZSA-N 449.599 4.575 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCc2sccc2C1 1749089705 DEZQXGJRZCYRMI-UHFFFAOYSA-N 440.370 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCC[C@@H](C)C1 1749146631 KGCCMZZGEBKCEA-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1749311588 SRYOKCQUHOPWDD-LJAQVGFWSA-N 432.659 4.582 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCCCC2)CC1 1749312506 LEKIABQOWOIOAL-OAQYLSRUSA-N 437.632 4.752 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1749411908 HOPCGBODOKMHMJ-QUCCMNQESA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(C)cccc2C1 1749414924 JQEXBTQLXSXMHV-UHFFFAOYSA-N 426.362 4.873 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1749573634 RMDDWIJRQSOJPI-ACDBMABISA-N 433.556 4.982 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1Br 1750460163 CGYOYCOELQEHNM-UHFFFAOYSA-N 430.394 4.808 30 10 IJEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)CC1 1751000668 DTELOTGCUODUHO-FQEVSTJZSA-N 442.558 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1760105219 MNOFVKIWHVVINX-GREBRCKQSA-N 449.624 4.556 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1760129057 DODQUFWMKLOYQC-IBGZPJMESA-N 442.007 4.537 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[C@H]21 1760303192 FVMHDIKVHVJPIH-WDEREUQCSA-N 444.196 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)c1ccsc1 1760331913 QHVBEEYWDHCKMK-JOCHJYFZSA-N 447.004 4.979 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760352817 YVXGDVCBFSAYMK-BVSLBCMMSA-N 442.604 4.631 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccco1 1760366172 RRWNOKFHOVOOPG-GOSISDBHSA-N 425.920 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCCC[C@H](COC)C1 1760413930 YZIYAXDEGLWBOE-FQEVSTJZSA-N 426.605 4.733 30 10 IJEE C=CCCCCn1c(N2CC[C@H](c3cccc(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760430313 FYOVAIKLLNJADB-JYFHCDHNSA-N 438.616 4.977 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1760438407 GTDDHEMNVPNQTN-IBGZPJMESA-N 425.577 4.610 30 10 IJEE CC(C)(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCCC1(F)F 1760734174 BURITTIRFNRNJH-LJQANCHMSA-N 442.558 4.599 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(C)C)C1)SC 1764021510 GHALWCZWOMPUSK-FQEVSTJZSA-N 427.618 4.600 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1767515529 AVMMERNVYOIBHP-FGZHOGPDSA-N 434.632 4.810 30 10 IJEE COCC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1769335359 FXUXRUJTDRRSTH-QHCPKHFHSA-N 445.970 4.561 30 10 IJEE CCCCOc1ccc(C=NN=C2NC(=O)[C@@H](Cc3ccccc3Cl)S2)cc1OC 1772742457 RLJZQOYGDRDHDL-HXUWFJFHSA-N 445.972 4.692 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12 1858241719 AVVOVKKNTXRRTA-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE C=CCOC(=O)Nc1ncccc1OCC(=O)Nc1ccccc1Sc1ccccc1 1858697035 IBWXBSLOKZVXQB-UHFFFAOYSA-N 435.505 4.985 30 10 IJEE N#Cc1cccc(C(=O)Nc2ncccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1858711548 HDKIVBZGPHWUGK-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@H](C)C(=O)OCCC)c1 1858737733 LKEHYSWYNDUQFN-QGZVFWFLSA-N 425.529 4.892 30 10 IJEE N#Cc1c(O)nc(SCC(=O)Nc2ccc(F)c(Cl)c2)nc1-c1cccc(Cl)c1 1860463762 RHZJWGIKMZACIF-UHFFFAOYSA-N 449.294 4.898 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(O)c2)c1 1862489434 BPIITYLCPUAAHM-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862591501 ICLKZXDMCOIHHO-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(F)c2)cc1 1862686922 CSGZYHHKHAKESQ-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1862736462 YLKBZZMHCCPCLN-NRFANRHFSA-N 432.407 4.512 30 10 IJEE N#Cc1c(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)sc2c1CCCC2 1865919254 IFEXHYJMLWQSOS-UHFFFAOYSA-N 430.485 4.776 30 10 IJEE CCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 1867047058 FQOLZJOMGPYEFH-OAQYLSRUSA-N 432.549 4.538 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(Cc3ccccc3)n2)cc1 1868220096 UKLBTNIZVHBJOK-XMMPIXPASA-N 448.530 4.656 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2c2nc3ccccc3s2)nc(CCOC)n1 1869097647 ULXGENMCRNQIOX-LJQANCHMSA-N 435.597 4.795 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1cccc(C)c1 1871041906 IOYFQCWCPIZBKF-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)C(Cl)(Cl)Cl)c2C)C1=O 1871363455 RZMVENXIIZIRFC-DHDCSXOGSA-N 427.667 4.895 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871453632 JJIFQNDQJXOLFW-XKZIYDEJSA-N 444.443 4.845 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495940 WTKFJQZEMQKVNM-UHFFFAOYSA-N 428.584 4.681 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CC(O)C2)n1 1871571114 OKPCZBJWVIYAFD-UHFFFAOYSA-N 447.027 4.732 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872106912 RXZCQMXUDUEDLB-DEOSSOPVSA-N 445.544 4.725 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@H](C)CC)S(=O)(=O)CC 1872295548 SGYBNNVQXDZRKT-OFNKIYASSA-N 449.661 4.504 30 10 IJEE N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCO3)cs1 1872775103 KBFCAXNBZCFUEK-CYBMUJFWSA-N 427.825 4.590 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCCN(C)C)C1=O 1873110726 GNAOISOTGKAADW-UHFFFAOYSA-N 449.586 4.727 30 10 IJEE CCCCCCCCNC(=O)CCCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 1873886270 OISSMMMYJRPKBQ-UHFFFAOYSA-N 426.605 4.916 30 10 IJEE CCCCCCCCCCNC(=O)CCCC(=O)Nc1ccccc1C(=O)NC1CC1 1873936607 JYRALGXNULWXRZ-UHFFFAOYSA-N 429.605 4.945 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cc(OC)ccc1OC 1874248704 SSGJAMMDFKFTLF-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874354834 DCKMOENWVPVOMF-BUVRLJJBSA-N 438.553 4.563 30 10 IJEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1c(F)cccc1Cl 1874365855 YCPMPEBYWLKAHC-LSFURLLWSA-N 439.299 4.538 30 10 IJEE O=C(CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1)Nc1ccccc1 1874410591 BNGLQHGYFQRQMA-HZHRSRAPSA-N 433.562 4.543 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1sccc1C 1874429430 JNBRYNOZIWZFCK-HZHRSRAPSA-N 441.626 4.938 30 10 IJEE Fc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874464534 OKSHKVDYAMTAPS-ZMOGYAJESA-N 436.468 4.623 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1O 1874468997 IGOXMFUDJGEDHN-AUEPDCJTSA-N 444.875 4.916 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874523713 CDYKHCJBYHDWFE-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)cc1 1874576012 SOXWYLFHLVKRBC-OVCLIPMQSA-N 435.451 4.757 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OCc1nc(O)c2ccccc2n1 1874597958 MMWIDCQUXAYMRH-WUXMJOGZSA-N 430.435 4.958 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1OC 1874603157 NBDBJGNKVSTRGO-WLRTZDKTSA-N 435.451 4.757 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)c1 1874619069 IGTCFJHZQYNKPY-UKTHLTGXSA-N 442.471 4.828 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cnccn1 1875125283 AOVWYRNQWQOABO-BJMVGYQFSA-N 434.879 4.982 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)CCCSC 1875128668 OGLLYEYHPXYSGP-VAWYXSNFSA-N 429.494 4.938 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1F 1877009052 LCOVFQMNXVYMTO-ROUUACIJSA-N 427.358 4.936 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(Sc4ccccc4)CC3)n[nH]2)c1C 1889953709 ZHFAVNYXTZHTGS-UHFFFAOYSA-N 435.597 4.863 30 10 IJEE N#Cc1ccc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)s1 1928770508 QLQZBSLUJVFKMS-UHFFFAOYSA-N 433.533 4.570 30 10 IJEE N#Cc1cccnc1Nc1cc(Br)c(Br)c(Br)c1 2034334954 PRFDRNPDHGRUIY-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CC[C@H](c1ccc(OC)cc1F)n1nc(C(C)(C)C)c(C#N)c1I 2080073353 GVFIOWCGKQQBKF-OAHLLOKOSA-N 441.288 4.804 30 10 IJEE CSc1ccc([C@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1 2080101225 CSFMIMPMCNCUPK-HNNXBMFYSA-N 443.354 4.962 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1cc(Br)cc(F)c1C#N 2107437723 BSIYQHZQQGCPHU-PXAZEXFGSA-N 426.330 4.907 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2139014969 LSJHSFNQAADSOZ-UHFFFAOYSA-N 442.365 4.524 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N[C@@H](C#N)C1CCCCC1 2181046300 KAGNELYSSJYQOE-KRWDZBQOSA-N 436.350 4.998 30 10 IJEE C[C@@H](C1CC1)N(CCC#N)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2181053485 MECIHXVLOYKNKI-ZDUSSCGKSA-N 436.350 4.950 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)OC1(C)C 2194121143 RSNNPODSKMSHIF-DJJJIMSYSA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](N)(C#Cc2ccccc2Br)C12CCCC2 2235733008 SXWWUWXRPQJDCL-NRFANRHFSA-N 433.390 4.842 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cc(Br)ccc3Cl)c2F)OC1(C)C 2266050131 BRCKALZETXAOAN-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC[C@@]1([C@H](C#Cc2cccc(Br)c2)NC)CCCN(C(=O)OC(C)(C)C)C1 2296217025 PXNYYROOQOVHTQ-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(I)c(C)c1 2296228327 XWIFCYXCYOUJAG-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C1(CNC(=O)OC(C)(C)C)CCCCC1 2296269363 OCVICFWBXREOSM-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2296298023 FVDPEOLWXMELPQ-AZUAARDMSA-N 437.422 4.966 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(OC)cc2)cc1 2296318935 IKUXGISHKUBTGF-QFIPXVFZSA-N 449.890 4.984 30 10 IJEE O=C1C(=CNC2CCCCCC2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 2297378526 AZXHXWHEJRJMJV-UHFFFAOYSA-N 434.558 4.574 30 10 IJEE C#CCOc1ccc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1OCC 2297559882 RHUSWSJFPBWFTC-UHFFFAOYSA-N 449.528 4.641 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1OC 2297745601 RRZTXLCOJOZSNB-JOCHJYFZSA-N 449.890 4.984 30 10 IJEE CC1(C)OB([C@H]2CCN(Cc3ccc(Cl)cc3I)C2)OC1(C)C 2303100848 CIQOMWVODOKAAS-ZDUSSCGKSA-N 447.553 4.613 30 10 IJEE COc1ccc(NC(=O)C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 2318789115 YWQQMKQKQWJWBU-UHFFFAOYSA-N 447.487 4.512 30 10 IJEE C=CCN1COc2cc(C)c3c(c2C1)OC(=Cc1cc(Br)ccc1OC)C3=O 2322134394 BYMYJDKPBHYHLC-UHFFFAOYSA-N 442.309 4.720 30 10 IJEE C=CCN(CC=C)C(=O)C1CCN(C(=O)C=Cc2cccc(OCc3ccccc3)c2)CC1 2322705220 XGVWGVIGAHTWRB-UHFFFAOYSA-N 444.575 4.718 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c(OC)c1 2323970524 MOEJYYTWBNWXBO-UHFFFAOYSA-N 436.485 4.920 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325045029 ZIIWEICKEDSOFS-UHFFFAOYSA-N 425.437 4.632 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(OC)c(OC)cc1OC 2325592668 YOFFKYHCKCNRBA-UHFFFAOYSA-N 440.569 4.658 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccnc1 2325820923 WCOWDHPJCLTRCV-UHFFFAOYSA-N 437.569 4.719 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc(Cl)c1 2326272211 UTJMMMDQFSPMEL-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc([N+](=O)[O-])c1 2326900938 KLVPPEICKZBUQG-UHFFFAOYSA-N 425.558 4.939 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SC)cc1OC 2327506894 BEIWCZMWAGQTEX-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccccc1C(=O)O 2328790140 NXCHWOGEIDBIIB-UHFFFAOYSA-N 436.537 4.723 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Br)cc1 2328813913 PJNUXFRBARCMRF-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE Oc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2329884028 CVCNAYFVKQJGQP-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccs1)c1ccccc1 2330700809 ZTGWEJVVMBKEFC-KRWDZBQOSA-N 447.589 4.858 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2C)cc1C 2330894202 QHJYIQSTULJPBK-NRFANRHFSA-N 449.580 4.668 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)ccc1O 2330896034 BOBDUCOQWHSQND-FQEVSTJZSA-N 438.553 4.717 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331081577 DZVOEAMVXSQCBP-UHFFFAOYSA-N 444.821 4.841 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc(F)c1 2331491722 GRLPSRCIGAVJSO-UHFFFAOYSA-N 437.544 4.860 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)c1 2331496189 WGHFBSLKZQOMDN-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(C)=O 2331569145 CXGVQDRMENLGLY-UHFFFAOYSA-N 425.225 4.947 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1OC 2339680667 ZFHHOQWHPFLZJH-SJORKVTESA-N 427.383 4.886 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 5926094 YWSIHQZEVOREMF-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE O=C(/C=C/c1ccc(F)cc1)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 20074491 DJMDAQPGKLJILF-AWNIVKPZSA-N 449.463 4.757 30 10 IJEE COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc(OC)c1O 21219633 QRTCPODZPQRLIL-LPHOPBHVSA-N 449.547 4.711 30 10 IJEE N#C[C@H](C(=O)c1ccccc1I)c1cccc(Br)c1 36765809 HWXDLQRKBCSDHC-ZDUSSCGKSA-N 426.051 4.544 30 10 IJEE COC(=O)c1c(NC(=O)[C@H]2CCCN(CCC#N)C2)sc(C)c1-c1ccc(C)c(C)c1 62039411 MNZQXOXLRTZGFO-IBGZPJMESA-N 439.581 4.691 30 10 IJEE C=C(C)COc1ccccc1NCC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 66062938 KNMMMZLYMADYKT-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE N#CCCN(Cc1cccnc1)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 71835716 LCAXOQBHUZANCA-CCEZHUSRSA-N 433.515 4.890 30 10 IJEE COc1ccc(-c2nc(SC)nc(Nc3cc(Cl)ccc3O)c2C#N)cc1OC 96470601 KNUQLDPTTNCELK-UHFFFAOYSA-N 428.901 4.857 30 10 IJEE O=C1Nc2cc(C(=O)NCc3ccc(F)cc3)ccc2N/C1=C/C(=O)c1ccc(Cl)cc1 104500050 LSTAQUSSBLHEKD-CIAFOILYSA-N 449.869 4.540 30 10 IJEE COc1cc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc(OC)c1 108012508 AZRBCZXXBHRCHR-KHPPLWFESA-N 430.479 4.957 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1Cc1cccs1 169939798 VUUBVZCNYXMCJY-HSZRJFAPSA-N 433.529 4.854 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)cc1 169956950 QBCCKVLDSHZVQA-JOCHJYFZSA-N 449.507 4.572 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)s1 169984086 MTRPNXQWXSGDER-INIZCTEOSA-N 432.473 4.883 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccnc2)cc1Cl 170008920 UBVQQWPPYLUQRT-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cn(C)c2ccccc12 170084231 HLKKZSTXMLNHOF-QHCPKHFHSA-N 442.471 4.558 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(OC)cc1 170116221 ZNIIWQMPFLVHLG-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 170118986 JKLORKIPGUJGKF-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)ccc1OC(C)C 170134447 MEAAOWAUADRQHU-HSZRJFAPSA-N 447.487 4.859 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC(C)C)cc1 170151580 VRMFXSRLADRDCD-XMMPIXPASA-N 449.547 4.577 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccs2)c1 170154889 XMCPSNBZJFCKTF-FQEVSTJZSA-N 429.538 4.540 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccncc1 170204376 CGIALGSOAMHJAY-JOCHJYFZSA-N 428.488 4.798 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccccc1 170231643 XIHGSEJTPNOVCL-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)cc1 170234651 YKNNPUOXLREHTC-JOCHJYFZSA-N 439.471 4.745 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)c(OC)c1 170259817 YFOUACRUGGXSIZ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)ccc1OCC(C)C 170292740 NPWSROJSFNOLEB-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C)o2)ccc1Cl 170298597 UOJIYERMUIHJCQ-HXUWFJFHSA-N 447.915 4.643 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170301496 DTDOACGPMBOROF-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cn(C)c3ccccc23)c1 170394193 APBZZPKUIGJATD-QFIPXVFZSA-N 428.444 4.563 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3ccc(-c4ccccc4)nn3)nc12 170547636 YQWRKHPLHUOBJW-UHFFFAOYSA-N 433.475 4.810 30 10 IJEE CC(=O)Nc1nc2ccc(NC(=O)/C=C\c3cn(CCC#N)c4ccccc34)cc2s1 209906176 DYXXHSLBHMNVPV-YFHOEESVSA-N 429.505 4.775 30 10 IJEE O=S(=O)(c1ccc(Cl)c(N=Cc2ccc(-c3ccccc3)cc2)c1)N1CCOCC1 254527390 JXVFJQWFFLHLNA-UHFFFAOYSA-N 440.952 4.779 30 10 IJEE C=CCn1c(-c2sc(NC(=O)[C@]3(C)CCCc4ccccc43)nc2C)n[nH]c1=S 303397570 ZHGRQPPQSWZEMC-OAQYLSRUSA-N 425.583 4.791 30 10 IJEE C=CCn1nnc(CSc2cccs2)c1C(=O)Nc1ccc(Br)cc1 334161604 CSIXOTAEYFJWRB-UHFFFAOYSA-N 435.372 4.833 30 10 IJEE C=C(Br)COc1c(Br)cc(Br)cc1/C=C/C(=O)O 380646275 WBWBJPRGVXVLSV-NSCUHMNNSA-N 440.913 4.597 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446360694 UMDJKWNBGRQQSH-LBPRGKRZSA-N 446.754 4.676 30 10 IJEE C=CCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nnc1-c1cccc(Cl)c1 481365280 CKPHQKAORBXVEO-UHFFFAOYSA-N 437.956 4.513 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 508940742 ZLMRYMNGLAGCPN-UHFFFAOYSA-N 447.768 4.585 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cc3sc(Nc4ccccc4OC)nc3s2)CC1 515307404 SNBIWSGHKVAFKE-UHFFFAOYSA-N 442.610 4.880 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 521690541 DOVZIQZOQJHGHX-OALUTQOASA-N 430.302 4.611 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 526486750 OQVYGRGBLSXYBX-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1OC 526487586 CIAYHFOPRBYXDY-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526491439 NCEHCQZLOJVYRS-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccc2C(=O)O)c1 526515512 IUSNVXHNBXHOAM-HSZRJFAPSA-N 440.455 4.712 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)N3CCc4cc(Cl)cc(Br)c43)on2)c1 548996322 DVLMSFHBFCDQDC-UHFFFAOYSA-N 428.673 4.832 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 549690838 KXRUZOMVFWXPQO-BVFVYWQFSA-N 432.568 4.837 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 555238512 UPFSMPLXIZGNGN-XZOQPEGZSA-N 437.632 4.567 30 10 IJEE COc1ccc(N(CCCC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 586241913 UFFZEWCNXFPYLB-UHFFFAOYSA-N 429.325 4.510 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 609071428 VWHMAQKPMAAKPK-IBGZPJMESA-N 441.531 4.786 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)c(Br)c1)c1ccccc1F 721305091 WGTZKIXITAYXKP-LLVKDONJSA-N 444.041 4.683 30 10 IJEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(C(F)(F)F)nc1O 731562683 GAKQQUMZTXFSKN-NTMALXAHSA-N 436.393 4.950 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 761752693 WOLJETJWGHSIOK-DEDYPNTBSA-N 435.877 4.748 30 10 IJEE CC(=NNc1cccc(C(F)(F)F)c1)c1cc2c(cc1Br)NC(=O)CO2 767358212 JKRRHBYGPQQCEG-UHFFFAOYSA-N 428.208 4.635 30 10 IJEE CCCc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(CO)c2)cc1 797798832 CRIVKGVCPTZWLL-UHFFFAOYSA-O 430.553 4.614 30 10 IJEE C#C[C@H](N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N)C(C)(C)C 807935704 TXCNTOZEUQEMCZ-RTWAWAEBSA-N 444.560 4.566 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)cc1 808870958 WKCAWNSOVSFOFT-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(C)C)no1)c1ccc2c(c1)OCCO2 1124426053 QNTKQRVVNMHKOW-UHFFFAOYSA-N 434.492 4.981 30 10 IJEE Cc1nn(C(C)C)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1125062096 DGTVXSBQEYIEHV-UHFFFAOYSA-N 433.459 4.963 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2cccc3cccnc23)cc1 1125941390 HREVBQQDBDNWCA-UHFFFAOYSA-N 434.543 4.977 30 10 IJEE C#CCN(C(=O)[C@H](CC)Oc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1126227520 AIJHZSRPZJEELV-PMACEKPBSA-N 442.353 4.901 30 10 IJEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)c1C 1126473568 DHSUWJFUNMAOAX-HXUWFJFHSA-N 439.560 4.629 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CN(Cc2ccccc2)C[C@]1(C)c1ccccc1 1128973313 NTIHOPUPGBEYJL-LEAFIULHSA-N 437.543 4.789 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)cc1C#N 1134030600 TXZQEAIEOATBEU-GFCCVEGCSA-N 436.242 4.721 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F 1136409161 KAVGRWDFYSJCKN-DOTOQJQBSA-N 444.494 4.839 30 10 IJEE COc1cc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)cc(Br)c1OC 1143183630 GWMBZPDZCUHGLC-UHFFFAOYSA-N 444.112 4.575 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccccc3F)C3CCCC3)ccc2c1=O 1149634426 LBPNIMLHTVXWOS-OAQYLSRUSA-N 437.540 4.672 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 1219087091 ZGIQGQFVJIBCKL-IBGZPJMESA-N 447.329 4.993 30 10 IJEE COc1cc([C@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)ccc1OCCC(C)C 1220967756 BNOGUZYSHRFYSD-SFHVURJKSA-N 437.540 4.526 30 10 IJEE C=CCCC(C)(C)CNC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1234238887 XAEQLFDBPXPBHG-QGZVFWFLSA-N 426.401 4.747 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCN(C(=O)OC(C)(C)C)C1CC1 1276765797 CJQJRCIEKKQRRQ-HNNXBMFYSA-N 439.478 4.736 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCC(F)(F)C1 1286400058 VBSXNTFOVCQVTO-MOPGFXCFSA-N 444.501 4.846 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(C)CCCC1 1286423700 VWOQBYLBHPCYQA-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CN2CCCCC2)CC1 1286659727 WVHDKEZZFIMNTC-FQEVSTJZSA-N 425.596 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](COCC)C1 1286665866 DXJMSMKLWWRGIK-HXUWFJFHSA-N 439.604 4.612 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1286677972 NCGQPEORKVTGHA-NSHGMRRFSA-N 445.558 4.504 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1286691067 BCIQQNSXSHHOTQ-QAPCUYQASA-N 437.357 4.770 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc2c(c1)CCO2 1286759343 AHJNHOUUBAEEDP-FYYLOGMGSA-N 436.600 4.553 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CCSCC2)cc1C 1292325818 YXHKPTLPCQLOAB-NRFANRHFSA-N 447.645 4.732 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(NCC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1297035207 OLETUIINNYZNNL-HXUWFJFHSA-N 427.467 4.945 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1300371292 BDUBCXYEPTUERB-HXUWFJFHSA-N 440.498 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H](C(C)C)N1CCCC1 1300813692 PUDJKZUENDOIKX-SHQCIBLASA-N 433.644 4.566 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CCCO)CC1 1300830301 FACUUPXSLUAIEA-HXUWFJFHSA-N 447.421 4.718 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccnc(SC)c2)CC1 1301075492 GIUBKAQFXIXILI-UHFFFAOYSA-N 441.988 4.929 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1301119623 PWZGSVZUIKHLGU-RTBURBONSA-N 444.023 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301155564 PZKHBLPMBIDVPF-FQEVSTJZSA-N 442.677 4.548 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H]1CCCn2cc(C)nc21 1301341029 NCXCNOQZMGSMCD-XXBNENTESA-N 443.599 4.938 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCSC1 1301594677 IKELKFMJISZITD-RBUKOAKNSA-N 432.659 4.896 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 1303632964 ADMZXVYZBVOAES-IBGZPJMESA-N 430.556 4.838 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2CCCc2cccc(C)n2)cc1 1304432476 AQZLOXQYSCFDSE-UHFFFAOYSA-N 446.624 4.955 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CCCC)c3ccc(OC)cc3)ccc2c1=O 1306522863 XEFYNGRDQSOIQH-HXUWFJFHSA-N 437.565 4.541 30 10 IJEE C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CN1Cc1ccccc1 1310210707 FIVRIYJYVPWJBX-GCJKJVERSA-N 427.508 4.530 30 10 IJEE COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@H]1C 1310367190 AZQYXFWZZNCAPR-UGSOOPFHSA-N 447.413 4.785 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC=C)cc1)[C@H]1CCOc2ccc(Br)cc21 1310857921 GFGBOPZTXXOXDX-IBGZPJMESA-N 427.298 4.962 30 10 IJEE C=CCC[C@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)c1ccc(C(F)(F)F)cc1 1312341085 GENKIFPJLHSLMH-FQEVSTJZSA-N 431.458 4.580 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc(Cl)cc1F 1312357693 RBJUHYJLDNSDAK-OLOOCYQZSA-N 439.962 4.753 30 10 IJEE CC(C)c1oc(-c2ccccc2)nc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1320857594 DFTVCLDAMFNEIV-UHFFFAOYSA-N 430.508 4.852 30 10 IJEE CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H](C)c1ccccc1OC 1353022211 HMWKXYRMRCTZLY-SJLPKXTDSA-N 439.943 4.573 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1 1357274928 HOWKZSLZYMWIHG-OAQYLSRUSA-N 439.987 4.563 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](C)NC(=O)CCc1ccccc1)c1ccc(C(F)(F)F)cc1 1357296360 MFMDFOSAYOLQOA-UTKZUKDTSA-N 432.486 4.966 30 10 IJEE C=CCOc1cccc(NC(=O)c2cnn(-c3cc(F)c(OC)cc3F)c2CCC)c1 1357422677 WKSFFEVCQHSXPQ-UHFFFAOYSA-N 427.451 4.929 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCO[C@H]1CCCC[C@@H]1C 1358989559 HONUGBJBXBEBBR-OFVILXPXSA-N 441.579 4.552 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)CC(C)C 1359095860 SVOIDPOKDHLFRB-ZJSXRUAMSA-N 449.599 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(c3ccc(C)c(C)c3)CC2)nnc1C(C)(C)C 1359105023 IYMJWZKOGUHOQH-FYYLOGMGSA-N 437.632 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(Cl)cc1 1359107125 CZKSGNKQOCNXCB-QHCPKHFHSA-N 432.996 4.617 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOCC(C)C)CC1 1359172605 ASPWGXHFCUVHOO-UHFFFAOYSA-N 439.604 4.612 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2csc(CC)n2)CC1 1359179862 IWFHTLYQPNQOEF-UHFFFAOYSA-N 429.540 4.617 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359224521 USFJIECMRKSSPA-RDJZCZTQSA-N 439.387 4.848 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)OC1CCCC1 1359225442 YYVAEHJDSYVZFF-UHFFFAOYSA-N 435.366 4.611 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 1359229228 BQSWXEGBDUHFIZ-UHFFFAOYSA-N 428.936 4.662 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCSC(F)(F)F 1359235814 OIULTLWQQJVHFN-UHFFFAOYSA-N 430.496 4.616 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 1359248768 BAZDFNUNKSBOOZ-UHFFFAOYSA-N 429.540 4.542 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](F)C1 1359261221 AIWJUIHULARNKV-TZIWHRDSSA-N 440.542 4.610 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1Cc1sccc1Br 1359277170 DQOAPDUXWIYONR-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@H](C)[C@@H]2C)cc1 1359307822 WCJASIPIWJSUAM-RBUKOAKNSA-N 435.597 4.592 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)c1nccs1 1359339175 VPLZZZVERCQPNU-AWEZNQCLSA-N 435.022 4.609 30 10 IJEE C#C[C@@H](CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1436650375 BGSOOMFMGGIPAP-HNNXBMFYSA-N 445.375 4.861 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(CCc4ccccc4)C3)cn2)c1 1441192860 FFLXEQDDUQTKHS-JOCHJYFZSA-N 426.520 4.639 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1442462217 CSFJSCCWYALGQO-UHFFFAOYSA-N 437.459 4.748 30 10 IJEE C=C(Br)CNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 1442597555 XKXCZUOXHJPMOK-UHFFFAOYSA-N 437.378 4.515 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1OC 1448065125 CZGFCBGSBRZWNY-ZOXUKVPXSA-N 431.536 4.562 30 10 IJEE C=CCn1c(SCc2ncc(C)c(OC)c2C)nc2sc3c(c2c1=O)CCCC3 1458817706 JGXAGVNZMRVNHR-UHFFFAOYSA-N 427.595 4.836 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)c3ccc(SC(C)C)cc3)ccc2c1=O 1464996533 PQPGEXDUYNTEIL-OAHLLOKOSA-N 439.606 4.863 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 1472976060 QLRGYANTBHXEEF-LJQANCHMSA-N 442.947 4.745 30 10 IJEE CC[C@@H]1COC(C)(C)CN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1473615483 CKBYZQTXWYOMEN-DLBZAZTESA-N 431.646 4.989 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCCC2)C1)N(C)C 1496633787 DNEBUGICWSQLAH-QHCPKHFHSA-N 434.632 4.954 30 10 IJEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC2(CCCCC2)C1 1500506035 CULBOWGOZUORFN-UHFFFAOYSA-N 425.602 4.785 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCC(C)(C)C2CC2)c1 1507552600 QYSQQKUWWGNMEN-UHFFFAOYSA-N 447.627 4.893 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1cccc(COCC(F)(F)F)c1 1507694588 OGIKWFWZTFAPBH-UHFFFAOYSA-N 434.506 4.598 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC1(COC)CCCCC1 1507700377 RAYUDTPLGUMMNI-UHFFFAOYSA-N 426.580 4.951 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC1 1507795373 HYQPTJQGPPJMGI-IEBWSBKVSA-N 431.378 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC[C@H](OC)C(F)(F)F 1507826736 ZSJIQYHXDVPSTP-IBGZPJMESA-N 435.494 4.720 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)noc1C)C1CC1 1507988507 TYVYVRZVACHAQH-INIZCTEOSA-N 427.936 4.879 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1C 1508000691 YOBPBSNDJMTYCN-OFNKIYASSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCCN1CCCCC1 1508009459 ZAMKLIUHRPANPK-HSZRJFAPSA-N 441.595 4.727 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(c2cccs2)CC1 1508051867 LJLJFBVLIWHLLQ-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CCC1(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CCCC1 1525388381 POHWFRYWLVZUAC-GOSISDBHSA-N 433.390 4.814 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1Cn1cccn1 1527807308 NTZRQOLLCRWUOY-UHFFFAOYSA-N 428.305 4.661 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC(=O)OC)c2ccc3ccccc3c2)cc1OC 1527910410 BUDGSUWFUYFOAS-XFKHSMSJSA-N 445.515 4.847 30 10 IJEE C=CCC(CC=C)C(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1529254336 TVRGVXRXAHLSKN-OAQYLSRUSA-N 442.556 4.950 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 1529832326 FFWCGRSRVAGYOL-UHFFFAOYSA-N 426.314 4.901 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(F)c(Br)c1F 1529893111 STKAXEIEUSRPTH-ZDUSSCGKSA-N 446.292 4.643 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1CC 1531576270 WCSPXNHGVUGICI-UHFFFAOYSA-N 440.341 4.692 30 10 IJEE C=C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1ccccc1 1532001376 HLYMOZBGOFCQHQ-QHCPKHFHSA-N 437.517 4.604 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)OCc3cc(F)c(C(F)(F)F)c(F)c3)CC2)c(F)c1 1538188864 BBBDSBGLRPYVIL-UHFFFAOYSA-N 442.359 4.954 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1cccc(C(F)(F)F)n1 1539344588 CTQIPQKYGWJUSB-LJQANCHMSA-N 427.474 4.742 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC(C)CC1 1539580022 GKDDOGDDSVHISO-UHFFFAOYSA-N 434.338 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1 1539677821 JIGBTBXNKBLTTL-UHFFFAOYSA-N 449.452 4.861 30 10 IJEE C=C(C)Cn1c(N2CCc3ccccc3[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733746 NAWVPLLTZNMHME-YSIASYRMSA-N 437.588 4.749 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccnc2)C(C)C)CC1 1539894802 VENBLQJDIAYTDX-QFIPXVFZSA-N 436.629 4.871 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1539948445 XLXZWZRIEKOIRP-GOSISDBHSA-N 427.568 4.686 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1539988767 CSFIRZASKBHXGC-UHFFFAOYSA-N 435.538 4.893 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(OC(F)F)c1)C1CC1 1540101883 OMFXTMPZIHEKBN-UHFFFAOYSA-N 449.864 4.937 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCO[C@H]1C(C)C 1540195748 GPRWOORDYXRBLP-NQIIRXRSSA-N 432.996 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2cccc(C)c2)C1 1540887137 QMRYDIDLTIKYAD-WIYYLYMNSA-N 437.975 4.887 30 10 IJEE COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)c2ccc(CC#N)cc2)c1 1561267890 GZHLZRWANDCHOS-RUZDIDTESA-N 434.561 4.640 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1cccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1563641128 CYWJLOZFJQBPOT-LJQANCHMSA-N 435.568 4.945 30 10 IJEE C#Cc1ccc(CNC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)cc1 1569257637 DWMMJZXDTVZTSW-UHFFFAOYSA-N 439.334 4.674 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(F)cc(Br)c1N 1570215130 WRXMCDVGKACPCO-UHFFFAOYSA-N 444.098 4.750 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 1583700056 JVOWZXFLZCDDJL-SFHVURJKSA-N 440.506 4.870 30 10 IJEE COc1ccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c(Cl)c1OC 1585624629 GUDLECBHPFAJJP-ZDUSSCGKSA-N 440.849 4.859 30 10 IJEE COc1cc(NC(=O)c2scc(Br)c2Br)c(F)cc1C#N 1587092133 HFGNBXKNVJDMKY-UHFFFAOYSA-N 434.084 4.545 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC2(CCOCC2)C1 1587834779 GPEPRXMWSLBSST-UHFFFAOYSA-N 436.600 4.790 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1587872441 ISBJZTVKQYREBM-IBGZPJMESA-N 426.611 4.591 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1588266113 LSZKFSPYSFDBSO-PMACEKPBSA-N 441.595 4.527 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCC[C@@H]1CCCCO1 1588550372 OXUSQIOZVAVCOT-XZOQPEGZSA-N 440.563 4.648 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCC(C)(F)F 1589171636 MSWSYCJAPSUDJK-MRXNPFEDSA-N 429.334 4.807 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N(C)C1[C@H]2CCC[C@H]12 1589449301 AEOMYRGRXSQERJ-IRXDYDNUSA-N 431.378 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1589694161 AOPOURLYJJRIKU-YKSBVNFPSA-N 442.629 4.619 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@](C)(O)CC)CC1 1594429991 GHUQRDSZKKDZSW-RUZDIDTESA-N 426.605 4.852 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1594600102 IPGZZYHXONYCSX-QGZVFWFLSA-N 431.968 4.670 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](SC)C1 1594625932 IPRBFXBMVDZSJL-NQIIRXRSSA-N 428.602 4.869 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1594687334 NJKFTGCEAWCMCB-INIZCTEOSA-N 436.398 4.786 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1Cc1ccnc(OC2CCCCC2)c1 1595075547 HIPPUPDJDSMTBT-UHFFFAOYSA-N 447.583 4.943 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCSC(F)(F)F 1595127200 IRTMQKCHLOSTLI-UHFFFAOYSA-N 439.482 4.868 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1595157218 YOWNXDBDTNZWSC-QGZVFWFLSA-N 445.633 4.961 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1c1cccs1 1595398697 JRUIBUJARXVFLA-GOSISDBHSA-N 443.617 4.982 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CCCC2)C1 1595688867 QGNPVRDTFNCDED-OAHLLOKOSA-N 437.407 4.741 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2ncc(CC)s2)C1 1595700768 RLXWBTISWQLWIX-HXUWFJFHSA-N 437.613 4.550 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)C1CCCC1 1596798119 DLIOVCPHQDZVAN-OAHLLOKOSA-N 435.403 4.722 30 10 IJEE COC(=O)C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cccc(C)c1 1597737362 GIMCXPPIFKZPMM-JOCHJYFZSA-N 432.451 4.832 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)c1ccccc1 1603518082 NMLITCMDVXPNAN-SSEXGKCCSA-N 428.554 4.607 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2CCCCO2)c1C 1611821883 AQPUMWGGDFVKIH-IRLDBZIGSA-N 437.588 4.734 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)(N(C)C)C1 1612738406 BFTDWRGLZOWTLX-ZPZUNKDASA-N 426.653 4.651 30 10 IJEE C=CCn1c(SCCCCCNC(C)=O)nc2scc(-c3cccs3)c2c1=O 1613186458 ACASSENSJOLOFM-UHFFFAOYSA-N 433.624 4.771 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccnc(OCc2ccccc2)c1 1613229054 HJGZWNSZIGJAOL-HXUWFJFHSA-N 444.583 4.944 30 10 IJEE CCOC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@](C)(C#N)C1 1616058640 GZLKSYCHPDHAPE-HSZRJFAPSA-N 443.617 4.524 30 10 IJEE C#CCC1(C(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)CCCCC1 1617135609 ZOLFPXJXSVUFSF-SFHVURJKSA-N 428.548 4.830 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC2(CCc3ccccc3C2)CC1 1619651139 ADEAVZYYONMHKF-NRFANRHFSA-N 431.580 4.601 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cc(OC)ccc2I)CCCC1(C)C 1622987131 KWYXOOLWNYNJSN-INIZCTEOSA-N 428.314 4.898 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)CSc1nccn1-c1ccc(C(C)C)cc1 1623826216 GVUQHYHORQZZQX-UHFFFAOYSA-N 434.565 4.642 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 1626236493 LMIDPEQLAHLEKB-MRXNPFEDSA-N 430.892 4.797 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cc2n1 1626676344 YHACBXVVLYFVEK-HXUWFJFHSA-N 443.334 4.772 30 10 IJEE CCC1(CC)CN(C(=O)Nc2cnc(OC)c(C#N)c2)c2ccc(Br)cc21 1627437573 GXSHVRGSUWXSCR-UHFFFAOYSA-N 429.318 4.834 30 10 IJEE C=CCOc1ccc(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1OC 1632343317 MGBXJDLYZGZAEG-UHFFFAOYSA-N 436.733 4.874 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2ncccc2F)C1)c1ccc(C(F)(F)F)cc1 1632892378 DLLUCVOZKDECIO-PKOBYXMFSA-N 436.453 4.825 30 10 IJEE N#Cc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2Cl)c2ccc3nc(O)[nH]c3c2)cc1 1642112763 GJWORMFJEIGIED-UHFFFAOYSA-N 433.855 4.909 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)n1ccc2ccccc2c1=O 1642400046 CBHYEOJRQWVGLB-AWEZNQCLSA-N 427.298 4.529 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC(CC)(NC(=O)OC(C)(C)C)CC2)cc1OC 1643723154 KAOZGRJYBMYAOE-ZRDIBKRKSA-N 444.572 4.569 30 10 IJEE C=CCCC(C)(C)CNc1c([N+](=O)[O-])cnc2c1ccn2S(=O)(=O)c1ccccc1 1651312746 NTSJAEVTCFKFOI-UHFFFAOYSA-N 428.514 4.586 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(Br)cc1F 1651651265 GPXXIRQVKHZCRD-UHFFFAOYSA-N 427.111 4.653 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCCC3)C(=O)OC 1651657535 ZNMKQAUNDQQKLY-QGZVFWFLSA-N 440.590 4.844 30 10 IJEE Cn1c(SCC(=O)[C@H](C#N)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 1656176761 GSVXGDNFTARDAB-CQSZACIVSA-N 437.571 4.692 30 10 IJEE Cc1c(C#N)c(NC(=O)CSc2ccc3c(c2)CCO3)n(Cc2ccc(F)cc2)c1C 1656626708 DXXXHFXLTRWSHF-UHFFFAOYSA-N 435.524 4.830 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(SC)c(C#N)c2)cc1OC 1656959936 HPLRMCJBFLLDHA-UHFFFAOYSA-N 433.371 4.906 30 10 IJEE N#Cc1cccc(COc2cccc(CNc3cccc(S(=O)(=O)N4CCCC4)c3)c2)c1 1657465551 HCKIKBRMYPJKDJ-UHFFFAOYSA-N 447.560 4.534 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1659604181 JOUYVDSHJKIDMG-MRXNPFEDSA-N 432.320 4.864 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)cc1 1665970038 UPGZJVCSCMKHST-SFTDATJTSA-N 441.597 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 1667609556 JPRFLVPKMWPEJV-JBACZVJFSA-N 429.358 4.819 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 1668544378 DZXHTVUPPJGEEJ-ZDUSSCGKSA-N 448.388 4.774 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(Br)cc1 1669492497 QGSWSUSBYABZJN-HNNXBMFYSA-N 447.239 4.933 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)CC1 1670959047 ZVGMCBBPEJCCPE-NRFANRHFSA-N 448.485 4.916 30 10 IJEE C=C(C)[C@@H](NC(=O)N(Cc1ccccc1OC)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 1671852092 QEQXIQGFOXKDNH-WMZHIEFXSA-N 430.495 4.981 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 1672952116 QETGYGMCGZAFMU-FQEVSTJZSA-N 431.305 4.647 30 10 IJEE C#CCN(C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1)[C@H]1CCCc2ccccc21 1673320051 UOSZLMQOBQAINK-FQEVSTJZSA-N 436.556 4.505 30 10 IJEE N#CCOc1ccc(NC(=O)Nc2cc(OC(F)(F)F)ccc2Br)cc1 1675159778 CYVZDWBMWQTSOS-UHFFFAOYSA-N 430.180 4.894 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 1675591387 BASGWQYJAGABJX-HSZRJFAPSA-N 427.976 4.501 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 1675591388 BASGWQYJAGABJX-QHCPKHFHSA-N 427.976 4.501 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CC1 1675820370 YRKFYFVQTZGLIO-HXUWFJFHSA-N 448.419 4.962 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)cc(OC)c1OC 1676275204 PVCSWVLHIWCTHO-UHFFFAOYSA-N 444.522 4.875 30 10 IJEE C#CCN(C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1677041919 VDPKKFDOSHEVEL-SRCQZFHVSA-N 447.295 4.895 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 1677638809 IXBWCSFRFBJCIH-LJQANCHMSA-N 426.516 4.688 30 10 IJEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1)[C@@H]1CCCc2ccccc21 1678370291 YNXGADKHYHBWDD-RUZDIDTESA-N 438.531 4.556 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1682436657 KBHZKLQEDSKGBT-RZUBCFFCSA-N 429.358 4.550 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 1683424592 GFKQAYNFPQTDLB-JOCHJYFZSA-N 441.934 4.819 30 10 IJEE C#C[C@@H](NC(=O)N(CCOC)Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1F 1683688580 FZCRQBGQSPGTHT-LJQANCHMSA-N 427.278 4.804 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1689881074 FDWOCHDGGCRGQI-HXUWFJFHSA-N 439.922 4.514 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCC1CC(OC(C)(C)C)C1 1690070488 BSMSTHRJAKPGSD-UHFFFAOYSA-N 433.600 4.880 30 10 IJEE C#CCSCCn1c(N2CCC[C@](C)(OC)CC2)nnc1C1(c2ccccc2)CCC1 1690186877 WPNZQJYLVMGHDW-DEOSSOPVSA-N 438.641 4.510 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1690333138 XQMYQVOREPTKPA-IBGZPJMESA-N 428.920 4.958 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(C(=O)NCC)CCC2)CC1 1690398667 CZBHMOSPKLKLSN-QFIPXVFZSA-N 435.616 4.529 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1690415804 ZFKDTZFWVSSRTP-SFHVURJKSA-N 432.515 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](OCC(C)C)C1 1690424321 KVUQUVQTJQZPJJ-IBGZPJMESA-N 426.561 4.527 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C 1690464881 MLXWYKOKPOYZJF-NRFANRHFSA-N 440.542 4.751 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1690493671 OORMWOILMPLOAO-UHFFFAOYSA-N 427.911 4.574 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1Cc1nnc(CC)s1 1690572098 SNILCWLHRMQLJE-UHFFFAOYSA-N 428.581 4.661 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCc2sccc2[C@H]1CC 1690630187 ZHIPTTRZZSGUQX-OAHLLOKOSA-N 432.391 4.807 30 10 IJEE C[C@@H]1CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H](C)CC#N)C1 1693611154 CPKVQGUNJXQRRI-GUDVDZBRSA-N 444.624 4.567 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)C12CCC2 1696192171 FVDKAZXNQHHBSB-MOPGFXCFSA-N 429.515 4.646 30 10 IJEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 1698490542 DDPTUQZAXMBESP-QAPCUYQASA-N 435.906 4.543 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCc2cccnc21 1705505848 OQAOQSSLUQJTJA-UYAOXDASSA-N 447.608 4.552 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1705684194 ZYKQSJSSPKJABJ-GOSISDBHSA-N 438.329 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCNC(C)=O 1705711945 HSUSDJQSWZYOQZ-UHFFFAOYSA-N 441.576 4.741 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705791537 YNTFMCBQFSPYNO-ICSRJNTNSA-N 443.567 4.704 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)F)C1 1705825813 DRXUUPIBWRGWND-CQSZACIVSA-N 428.886 4.812 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCC(C)CC1 1705863301 NCYNPGCIBHZZPQ-QHCPKHFHSA-N 444.627 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705870704 OLYKOHKWXMOVQO-OFNKIYASSA-N 428.964 4.505 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCCC1 1705880317 BGKPZSPVFARQOT-UHFFFAOYSA-N 435.572 4.562 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCOC[C@H]1C 1705881952 HEWPUEZRPHEPHE-QUCCMNQESA-N 444.645 4.587 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(Cl)cc1 1705885958 GJXQMXWOXBBHHI-WOJBJXKFSA-N 432.996 4.537 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1705939298 CHTJBCFAOGLGDY-BBWFWOEESA-N 436.622 4.807 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2nccs2)n1 1706267398 BQJSXUZOSNEJCR-UHFFFAOYSA-N 435.582 4.538 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1722311947 PABLKYZCUUKMGI-UHFFFAOYSA-N 449.002 4.740 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)S[C@H](C)C1 1722455383 KGQDRKZGIUVSJL-OKILXGFUSA-N 441.453 4.949 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CC=C(C)CC1 1722480432 QWGZCFKZWIBZCC-UHFFFAOYSA-N 444.196 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC1CCCCC1 1722518091 UJIIUZBOWPIZBG-HSZRJFAPSA-N 440.588 4.932 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cc(C)on2)CC1 1722576995 YMUDHYUZJHESSQ-UHFFFAOYSA-N 434.363 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@](C)(C#N)C1 1722589064 CLEFQPQALOGORH-VWLOTQADSA-N 437.588 4.988 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1722594286 IYUPUFDIJGLPPT-MQSCRBSSSA-N 432.616 4.562 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@H](F)C1 1740631641 CRMXYYHTCNFAKK-QUCCMNQESA-N 433.556 4.588 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1cccs1 1740647270 PRIMIRSDCADFRR-UHFFFAOYSA-N 425.561 4.569 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1ccsc1 1740665110 PKEQPNCYTBEFKP-HXUWFJFHSA-N 435.380 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1cccs1)N(C)C 1740727499 OGGSWNWZLAJCPA-WMZHIEFXSA-N 440.016 4.955 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)CC[C@@H]1C 1740789391 KMEZGCIQAYELJL-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 1740844651 PSLUPKQRYNVGDJ-UHFFFAOYSA-N 445.409 4.778 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1740868155 FQKXPMZCOMDBOP-MOPGFXCFSA-N 428.577 4.787 30 10 IJEE C=CCCCn1c(-c2cnccn2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1740874948 LVEIKZFHERDSPK-GOSISDBHSA-N 445.340 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1CC 1740897861 XOQCIAVBTMRSOX-MOPGFXCFSA-N 434.588 4.684 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740970744 BVHCEPCTYZGOPP-ROUUACIJSA-N 437.613 4.729 30 10 IJEE C[C@@H]1C[C@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CCO1 1742941925 CPWLUXXKOCJBNS-IAGOWNOFSA-N 447.505 4.801 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCCC1(C)C 1743917711 FHDIQLOKIJHJEK-GJZUVCINSA-N 435.616 4.891 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCOCC(C)C 1749060487 RCLYNUBKTHUBOD-HSZRJFAPSA-N 430.980 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCSCC(C)C 1749064119 NEBPZPIGHJUCIS-RUZDIDTESA-N 448.640 4.902 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)N1CCCC1 1749069368 XMUYMUMUAHAGDP-YADARESESA-N 425.646 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CC)C[C@H]1CCCO1 1749120541 FSMPJHHAYDARSG-NRSPTQNISA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCC[C@H]1CC 1749153288 SEACRWBHHSADCG-HSZRJFAPSA-N 447.631 4.798 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(C)CCCS2)CC1 1749317938 XQPCBZXZEYSSRR-MBSDFSHPSA-N 447.649 4.792 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC)C1 1749403179 YDENPUFPIMTTRY-VQTJNVASSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749438641 ZFIGCTMBHQPAJE-HSZRJFAPSA-N 437.632 4.752 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnc1C 1749549451 XFZROBAGRCUALF-UHFFFAOYSA-N 443.580 4.666 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCC1CCC(OC)CC1 1749575531 SUAGRPNPJJRAQC-YABDQXBESA-N 438.572 4.564 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1750694017 CKVGTFWDFKVBJV-WZONZLPQSA-N 447.002 4.844 30 10 IJEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCCCC2)C1 1752011735 FQCDPPVRCSBTHX-NHCUHLMSSA-N 434.632 4.954 30 10 IJEE C[C@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCCC2)CCO1 1752032166 GLJOKQKOHVNQQU-UGKGYDQZSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCc1cc(C(F)(F)F)ccn1 1760106654 MPLJVSNFAALEDR-INIZCTEOSA-N 427.474 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CC 1760297833 JYDVRVCNGZRHDZ-WMZHIEFXSA-N 444.048 4.700 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC(CC)(CC)C1 1760342494 NGQPKDVTHLLUCA-UHFFFAOYSA-N 438.439 4.734 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1760390783 SPFCKHPNPRBLAT-DEOSSOPVSA-N 430.600 4.503 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1ccc(F)cc1 1760431873 BYAOCXLRVYNRLT-UHFFFAOYSA-N 448.340 4.656 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C)CCOCC1)C1CC1 1760472152 XJPPGCXQBNVIBB-UHFFFAOYSA-N 440.588 4.712 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[C@@H](F)C2)C1 1761545665 HPODNUMITRKSID-AQOAWAETSA-N 431.943 4.779 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(CC(C)C)C(C)C)CCN(C)CC1 1771408147 FSCNYZHUOHXSPP-UHFFFAOYSA-N 440.661 4.515 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cc(C)cc(C)c2)CC1 1772554836 NZPXTAWTDXLFOA-AREMUKBSSA-N 438.616 4.581 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4cccc(F)c4)CC3)cc2)c1 1860690875 VTCZIMKLTHGKER-UHFFFAOYSA-N 428.463 4.936 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2F)cc1 1862391291 XIFWYWDZBYBXMQ-XXBNENTESA-N 437.511 4.926 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862446956 FCCWRMCSMPLHAX-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862448340 KXTXQKZRNOBBKP-FQEVSTJZSA-N 429.900 4.679 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862458952 YWNHLLBRSZJJGS-FQEVSTJZSA-N 433.426 4.737 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2c(Cl)cccc2Cl)cc1 1862538316 GMGNUHAFOBBMBJ-IBGZPJMESA-N 434.319 4.517 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2F)c1 1862556386 VQBRLRZXVSOTEI-HSZRJFAPSA-N 430.479 4.803 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862619786 CINIJGZIOHIPCE-HSZRJFAPSA-N 449.547 4.990 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(OC)cc2)cc1 1862689561 TVLAVFNOEODTCE-POCHDABASA-N 435.520 4.861 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc3ccccc23)cc1 1862692170 GABDQQUVDRREFO-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 1865772587 CRSJYGDEUGSNRR-OAHLLOKOSA-N 429.538 4.632 30 10 IJEE CCC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866776569 VIPWTWJTABZELH-GOTSBHOMSA-N 435.568 4.929 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(n3cnnc3C)CC2)nc(-c2ccc(Cl)cc2)n1 1869261557 FRTKQINZIHKSCM-UHFFFAOYSA-N 449.990 4.717 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(C)c(C)c2)n(-c2ccc(Cl)cc2)n1 1870002117 BZSFKYUPTPQNEM-UHFFFAOYSA-N 435.959 4.897 30 10 IJEE CCCCCCCOc1cn(CCOCCO)c(CN(CCCC)CCCC)cc1=O 1870414329 LVYZXWQJDIUFIL-UHFFFAOYSA-N 438.653 4.609 30 10 IJEE CC(C)c1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN(C)C)cc1 1871254296 XCSMQMMCHZANBT-UHFFFAOYSA-N 444.579 4.596 30 10 IJEE Cc1cc(OC(=O)CNC(=O)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871365686 DOSSDRREGFSESE-MTJSOVHGSA-N 447.874 4.600 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)ccc3C2=O)cc1 1871381970 HTRHSLHKLZPEIE-HMSZGEISSA-N 426.424 4.928 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871442861 MVOVJIFFDFOWED-ABVWVXPPSA-N 427.456 4.891 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(O)cc2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871505594 GQEUKQMRDVSNOW-UHFFFAOYSA-N 430.556 4.657 30 10 IJEE C=CCN=c1nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]c(N(CCC)CCCC)n1 1871660907 QMTJEQLOJYHWKR-UHFFFAOYSA-N 437.636 4.888 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871844586 FRPQVXCHSIQHPW-HSZRJFAPSA-N 442.581 4.956 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872384878 PUMBXIRIMWQRFL-IIBYNOLFSA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(F)cc1 1872409296 WRJRWABJJSSSTF-JOCHJYFZSA-N 432.561 4.754 30 10 IJEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 1872786506 MAXBOMBWAYTAJV-CZUORRHYSA-N 445.972 4.604 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@@H](C)CC)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330722 QJKROHRARRPICC-IBGZPJMESA-N 446.547 4.945 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874304116 JEDJAVWBCSTSGH-PXLXIMEGSA-N 425.514 4.560 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccnc1 1874311272 HGHUQUQGQZCLKN-JVWAILMASA-N 447.539 4.781 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)ccc1O 1874442426 BOBDUCOQWHSQND-PGLVWIQMSA-N 438.553 4.717 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 1874461813 BSWDFVKIPJZSEO-NUGSKGIGSA-N 440.834 4.823 30 10 IJEE CCCOc1c(/C=N/n2c(COC)nnc2SCc2ccc(C)cc2)cccc1OC 1874499433 QVMJVIXFIVSZOZ-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(F)cc2)cc1OCC 1874500571 ULAMUPKZWFORTB-ZMOGYAJESA-N 444.532 4.536 30 10 IJEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)cc1OC 1874587943 MMLNBMGAVKEKAH-OUKQBFOZSA-N 433.504 4.658 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1cnccn1 1874709997 SSNSGMDWGUJKKK-RMKNXTFCSA-N 446.503 4.907 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(=O)C1CC1 1875117477 HSJJCSHCSYHKGH-XNWCZRBMSA-N 446.253 4.577 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C(C)(C)C 1875195332 YUNFBRYXNPYNRA-DHZHZOJOSA-N 428.481 4.569 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 1903072001 GJSOVRDQTOIPSN-PMACEKPBSA-N 435.501 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1918267895 RHQXOPOCDWOJIK-PMACEKPBSA-N 447.498 4.859 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NN)c1csc(Br)c1Br 1922105751 XPFWRMURPSOPGB-CQSZACIVSA-N 432.181 4.551 30 10 IJEE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)o1 1952067437 GJMJOQYQAHOGLE-JOCHJYFZSA-N 430.460 4.842 30 10 IJEE C#CCN(CC1CC1)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1984778774 LOFKRPOGPFWCNC-AFMDSPMNSA-N 444.575 4.812 30 10 IJEE CC(C)(C)OC(=O)N(CCCO)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038913987 PZCDOFSXBFONBC-AREMUKBSSA-N 441.616 4.867 30 10 IJEE CCCc1ccc([C@H](C)n2nc(C(C)C)c(C=NO)c2I)cc1 2080054263 NXBMUSNLYJHBCA-ZDUSSCGKSA-N 425.314 4.981 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 2145541395 MGGSHBQQHLDBQS-RTBURBONSA-N 441.385 4.806 30 10 IJEE Cc1cc(Br)c(C(=O)N(C[C@H](C)C#N)C2CC2)cc1NC(=O)OC(C)(C)C 2181046658 LQOXYFIKIXYMBK-GFCCVEGCSA-N 436.350 4.869 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(C#N)cc1Br)C1CCCC1 2181055987 OLOGYJBFZDXACC-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(c3cccc(Br)c3C#N)C1)C2 2234942618 WDYRITWVRAISGQ-QVKFZJNVSA-N 434.378 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2262206507 OLNPSGXFFVRXCJ-IFMALSPDSA-N 447.572 4.655 30 10 IJEE CC1(C)OB(c2ccnc(Nc3ccc(Br)c(Cl)c3F)c2)OC1(C)C 2266060266 YYQZTKAOBPZUFR-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CCCC1(C(=O)c2nc(CCC)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2266238296 KRNNVQNTELGJQD-UHFFFAOYSA-N 426.355 4.511 30 10 IJEE CC1(C)OB(c2cnc(Nc3cccc(Cl)c3Br)c(F)c2)OC1(C)C 2269004846 DQHDGIUUEIBACB-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)NCc1nc(CNc2ccc(C#N)c(Br)c2F)cs1 2271177933 XVGOXLSJKPHYTB-UHFFFAOYSA-N 441.326 4.553 30 10 IJEE CC1(C)OB(c2ccnc(NCc3cc(Br)ccc3Cl)c2F)OC1(C)C 2280767824 ILBFMBFFYDVFDE-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE C=C([C@@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1)C(F)(F)F 2281278783 FLVXKUYQOXTTCU-MWLCHTKSSA-N 437.119 4.577 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2288414133 PYQMBHDHRQUZMQ-PNLZDCPESA-N 432.358 4.843 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C1CCN(C(=O)OC(C)(C)C)CC1 2296219355 NFCCEJGXKHJBGL-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@@]1(C(=O)C#Cc1cccc(Br)c1)C2 2296220340 XGLCEBXUODZXSB-SUWCGCSTSA-N 430.342 4.548 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@@H](O)C#Cc1cccc(Br)c1 2296227428 OOVPIADIISCVPX-ICSRJNTNSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](O)(C#Cc2cccc(Br)c2)C[C@H]1C1CCC1 2296231380 CQTFQGFXIFETCJ-UGKGYDQZSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C(=O)C#Cc1cccc(Br)c1)c1ccccc1 2296233605 YXKKPADAXORUHJ-QFIPXVFZSA-N 428.326 4.810 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2296272102 IABIMGBXSKESBZ-WOIUINJBSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2296283468 HFDLTVQHAVSROH-YSTOQKLRSA-N 433.390 4.567 30 10 IJEE CCOc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296930293 NQHZVVLRZIODJZ-FQEVSTJZSA-N 434.517 4.785 30 10 IJEE Cc1noc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(Cl)cc3)cc2)c1C 2297628355 DZJGMBJTBBUUQH-UHFFFAOYSA-N 431.901 4.554 30 10 IJEE Oc1ccc2cc(Br)ccc2c1C=Nn1c(S)nnc1Cc1ccccc1 2318414716 GJNIORHEBPOKKP-UHFFFAOYSA-N 439.338 4.661 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc(Cl)cc1 2322236336 NRHGXLXZHSTZEP-UHFFFAOYSA-N 430.961 4.901 30 10 IJEE COc1cc(C=C2Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)cc(OC)c1OC 2322642053 DIIDTMNWCRFDPH-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)NCc2ccco2)c(C)c1C 2322825180 ZETLWJXYSOILGG-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1 2324989461 LLRMUSSTRLCLLB-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1 2325745323 UGOQTWOBUVJCAF-UHFFFAOYSA-N 430.456 4.511 30 10 IJEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccn2)cc1 2329151515 SMZRZYFOXPFFED-UHFFFAOYSA-N 429.549 4.778 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1cccc(OC)c1OC 2329339358 HUPNZDYUYQRQIV-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(OC)c(O)c(OC)c1 2329438967 NPYXMCIOOUCQDT-UHFFFAOYSA-N 440.569 4.593 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(O)c2)o1 2330667868 YVJYWLQBPGPAII-UHFFFAOYSA-N 448.504 4.595 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccccc1F 2331046510 KDCYOEURIUXSPQ-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)C(F)(F)F 2331464191 JMTNJDVENZPYIE-UHFFFAOYSA-N 438.373 4.935 30 10 IJEE CCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc2ccccc12 2331653918 IQRGSKDCVQJDMM-UHFFFAOYSA-N 435.597 4.807 30 10 IJEE C=CCN(CC[C@@H](N)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2337529292 HLIMHRZYPIPRDT-GOSISDBHSA-N 425.367 4.803 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NCCc2csc(Br)c2)OC1(C)C 2339394208 KRAUGQADXCFOQE-UHFFFAOYSA-N 443.603 4.513 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2363622925 JGBZHXPKQUOWBQ-MOPGFXCFSA-N 449.414 4.586 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(O)C#Cc1ccccc1Br 2381060346 UCISSZJFBKKLOO-DVRVPYBTSA-N 434.374 4.635 30 10 IJEE Cc1ccc(-n2c(SCC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c(C)c1 10211460 FJPRYNXSYJXSOJ-UHFFFAOYSA-N 440.528 4.605 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c1 10510423 IQRXUBILHYNVJZ-UHFFFAOYSA-N 432.545 5.000 30 10 IJEE CCCCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc2ccccc2c1=O 23300652 FWDGKTYURKBOHB-RKDDFOCISA-N 440.613 4.608 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)c1 35420836 LRRYBTBSJXSWSN-SSSWZJSRSA-N 444.512 4.890 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 41285259 XMGDBSXIVJPELI-UUYOSTAYSA-N 430.412 4.568 30 10 IJEE COc1ccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2ccccn2)cc1OC 46126608 MMUIADBLONZETQ-UHFFFAOYSA-N 446.551 4.794 30 10 IJEE Cc1nc(COc2cccc(/C=C/C(=O)Nc3ncccc3OCCCC#N)c2)cs1 72087484 FMTNQLJPUUZGHU-MDZDMXLPSA-N 434.521 4.760 30 10 IJEE C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1 169677853 LJSRIWKWPPRQOD-XMMPIXPASA-N 449.595 4.754 30 10 IJEE COc1ccc(-c2csc(N/N=C\c3cc(OC)c(OC(C)C)c([N+](=O)[O-])c3)n2)cc1 169940957 APNNMQQMDIDDKZ-JJFYIABZSA-N 442.497 4.969 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1 170044233 OFAWCTYBFSXQPJ-HXUWFJFHSA-N 445.874 4.714 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1ccccc1C 170086960 RSDIFTWSGXMTEA-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccc(C)o2)cc1 170103632 ULWQVLLYGUMTAY-OAQYLSRUSA-N 427.460 4.864 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1cccc(OC)c1 170120579 NUWRSXLJGLVNCI-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(Cl)cc1 170234907 JKGTXFVETGCBLX-OAQYLSRUSA-N 443.927 4.697 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(O)c1 170260382 JHFIDNJOAYVFHJ-NZQKXSOJSA-N 449.547 4.755 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 170292562 WOZVLIQCWAPBIA-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc1 170536767 LVXCWKDWMFJWQH-QGZVFWFLSA-N 425.492 4.822 30 10 IJEE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 210032519 IZHQBKDFUFHKPE-UDWIEESQSA-N 447.541 4.655 30 10 IJEE CCOC(=O)[C@]1(C)C(=NNc2ccccc2)C(=Nc2ccccc2)C(=O)N1c1ccccc1 254761576 GFTJGGHFCYGVKW-SANMLTNESA-N 440.503 4.596 30 10 IJEE COc1cc(-c2n[nH]c(=S)n2N=C/C(Cl)=C\c2ccccc2)cc(OC)c1OC 254765866 PDVPXXSPYBMWBC-MRDIXEHSSA-N 430.917 4.747 30 10 IJEE CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCC1CCC(C#N)CC1 441030445 LMCVFITXZYLSIF-UHFFFAOYSA-N 425.552 4.900 30 10 IJEE C=CCn1c(SC[C@H](O)CC(F)(F)F)nc2scc(-c3ccccc3)c2c1=O 470030968 IPLRMVOFLJYXCK-CYBMUJFWSA-N 426.485 4.716 30 10 IJEE C=C(C)[C@@H](NC(=O)C(=O)Nc1nc2c3c(ccc2s1)CCCC3)c1ccc(F)c(F)c1 477629834 FMEBSQOOKIAZMK-LJQANCHMSA-N 441.503 4.825 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Br 484801631 BKXRIESQUPYPFN-INIZCTEOSA-N 435.240 4.668 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](c2ccsc2)C1 516318453 KMUWRQGCVMAFRQ-IBGZPJMESA-N 442.610 4.795 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 517524957 CNNHBCOEMPAKOY-QGZVFWFLSA-N 446.576 4.907 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 523047321 BBOCFLYXRRBMCT-CVEARBPZSA-N 429.973 4.762 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] 537090224 PXPOLANOKKKOGZ-ZDUSSCGKSA-N 436.281 4.955 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 543942795 DNXVNVXRJAPZCB-FYYLOGMGSA-N 442.485 4.509 30 10 IJEE N#CCCCOc1cccnc1NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 548978648 TVFRNBSCUOURMY-FQEVSTJZSA-N 436.409 4.886 30 10 IJEE COc1ccc(Br)c(-c2nnc(N3CCC(C)(C#N)CC3)n2CC(C)C)c1 549439644 DXZHFLJIWUKKEN-UHFFFAOYSA-N 432.366 4.502 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 549637607 CPTDKMWJEVUEMP-SFHVURJKSA-N 448.036 4.541 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](c2ccsc2)C1 549694100 WIXCWQIWBYJPKS-OAQYLSRUSA-N 433.537 4.816 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 586663981 QBRDNRRAZJEJSW-UHFFFAOYSA-N 427.888 4.585 30 10 IJEE C[C@H](NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cncc(F)c1 679816626 HWDQILKQFKEDAV-JTQLQIEISA-N 440.315 4.594 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(-c2ccccc2)s1 744756163 QPOKBWJQHIZUOF-UHFFFAOYSA-N 440.594 4.821 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1C#N 747245688 GESVMMZBJVNFOV-UHFFFAOYSA-N 440.931 4.604 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Nc1cccc(C)c1 799214421 FYIASPJJIWVTTM-QGZVFWFLSA-N 446.916 4.537 30 10 IJEE C#C[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C)c1ccc(Cl)cc1 812352963 YRRCZBRWLDZNPS-LJQANCHMSA-N 446.860 4.590 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3cccc(C(F)(F)F)c3)S2)c(C)c1 1083900258 FKBLCUUSKPGXJU-KRWDZBQOSA-N 435.471 4.912 30 10 IJEE C(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc2c(c1)OCO2 1084317166 GWGXMWIFMBGKAC-UHFFFAOYSA-N 425.452 4.534 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)Nc2cc(Cl)ccc2C)n[nH]1 1084378464 FCRVENXMFRLYNO-DAWUOIGASA-N 440.960 4.999 30 10 IJEE CCOc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1 1084650460 VAZINZSRSAXJSO-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 1124334055 QQPWACVDWHLUNW-INIZCTEOSA-N 436.368 4.874 30 10 IJEE CCCc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)sc2C)cc1 1124440885 FJZHSOZQDKAMKW-HXUWFJFHSA-N 444.560 4.934 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 1124640838 HYLZXDRMZXDQJA-UHFFFAOYSA-N 432.486 4.547 30 10 IJEE Cc1c(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)ccc(Br)c1F 1131024800 RIKQOPZPBUQKDF-HNNXBMFYSA-N 442.329 4.812 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)cc1 1136097488 MSVSMGBMYWBTCC-UHFFFAOYSA-N 441.285 4.664 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(C#N)CC 1136560389 LSQQTQJJSAOYLF-ZEQKJWHPSA-N 431.536 4.668 30 10 IJEE C=CCC1(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCCCC1 1137480210 BGXZVARYAQLQMZ-UHFFFAOYSA-N 430.545 4.769 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(-n2cc(Br)cn2)cc1 1138257777 XUULQZIMOSNZPP-UHFFFAOYSA-N 426.314 4.785 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(CCN2CCCCC2)cc1 1142006718 DRPVXYFLAQBKKR-UHFFFAOYSA-N 430.552 4.718 30 10 IJEE C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 1142193133 ICCFSYYZYCWMNA-UHFFFAOYSA-N 442.924 4.958 30 10 IJEE C=CCN(C(=O)C1(c2ccc(C#N)cc2)CCCC1)[C@@H](Cc1ccccc1)C(=O)OCC 1154300804 BYCSVINEJSSNGO-DEOSSOPVSA-N 430.548 4.559 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3ccccc3c(=O)n2-c2ccc(CCCC)cc2)C1=O 1164671220 DVEOUFFGJPPRAW-JOCHJYFZSA-N 433.577 4.607 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2ccc3sc(C(=O)OCC)cc3c2)c(OC)c1 1184544676 DEXBWMSZIPFDTC-UHFFFAOYSA-N 432.519 4.583 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1c(C)nn(Cc2ccccc2)c1C 1184578648 ZLXANOXDDKJCFM-UHFFFAOYSA-N 436.002 4.640 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3cc(Cl)ccc3c(=O)n2-c2ccc(Cl)cc2)C1=O 1188243340 ICIRFLRILFZHEA-GOSISDBHSA-N 446.359 4.572 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(F)ccc1OC(F)F 1188466252 VGFBCTTUWUUSFM-UHFFFAOYSA-N 426.508 4.525 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Br)c(C3CC3)n2)cc1 1218900781 XOCBYDIJWMMXJF-UHFFFAOYSA-N 430.306 4.673 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@@H]2CC2(O)CCCCC2)cc(OC)c1OC 1221553345 DDRIQTWHZPMJJW-OAQYLSRUSA-N 430.589 4.582 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CCCc2ccccc21 1221901720 VGQYTOWEFXSSAK-FPOVZHCZSA-N 439.506 4.589 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1 1224476497 AJJBNGYGQZLYOM-IXDOHACOSA-N 440.401 4.652 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](CC)Cc1cccc(Br)c1 1228207599 VQBKARPMOHKSRO-QGZVFWFLSA-N 449.389 4.891 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cc(Br)nn1-c1ncccc1Cl 1264868615 RPQLDDPNYLFBIF-UHFFFAOYSA-N 445.748 4.554 30 10 IJEE C#Cc1cccc(N(C(=O)c2cc(F)c(F)cc2I)C(C)C)c1 1264943041 QJFBDTWUMQKORS-UHFFFAOYSA-N 425.216 4.606 30 10 IJEE C#CCOc1ccc(C(=O)N(CCOCCCC)c2ccc(Br)cc2)cc1 1265428167 ICLZHVBPPIYNPM-UHFFFAOYSA-N 430.342 4.925 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)C(C)C 1286278122 AIISPSRJOAVMFG-OAHLLOKOSA-N 433.394 4.856 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1286536812 RPOMBSSEJAAHAI-QGZVFWFLSA-N 428.334 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CC)CC1CC1 1286553393 QAIMDTJCAYQZMJ-LZNRXBQRSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCc1coc(-c2ccc(C)cc2)n1 1286579472 QOLXBNZHQKFCLF-UHFFFAOYSA-N 442.567 4.872 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1286622664 ZHYUQMPBSNPVSN-GOSISDBHSA-N 449.430 4.838 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286630793 UMLIKSUYPHDUEY-GOSISDBHSA-N 444.004 4.779 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCC(=O)N(CC)CC)CC1 1286655383 QFDPGKAXOLOEMQ-UHFFFAOYSA-N 435.572 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286668910 XFMHZWYDIUMDJQ-KBXCAEBGSA-N 448.398 4.569 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1286708601 VYPDEDDMZRJLDV-WOJBJXKFSA-N 445.007 4.834 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](c1cccs1)N(C)C 1286722673 PMBDYOZWIGBYDE-LJQANCHMSA-N 434.569 4.587 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)CN1CCCCC1 1286749386 QOTSFEZICWYUDC-RTWAWAEBSA-N 443.661 4.548 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1286759644 DXGRQCKHDSONSY-DHIUTWEWSA-N 446.643 4.639 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C(C)C)C1 1286764415 OTSVXYPEOLVTPF-QFIPXVFZSA-N 448.615 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCO[C@H](C)C1 1286765726 INVRLPIFAOOGSY-UXHICEINSA-N 438.547 4.651 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](OCC(C)C)C1 1286826995 ZVADJTPIJKLJOX-IBGZPJMESA-N 426.586 4.862 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CSC(c2ccccc2)=N1 1292749501 FUCIPZBGMIKOQG-QHCPKHFHSA-N 427.529 4.946 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@@H](OC)C1 1300348126 JMCYDLXOYKPXNP-KXBFYZLASA-N 449.368 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1C[C@H](F)c1ccc(Br)cc1 1300817620 SQVWCUXIPDAZEY-WAOWUJCRSA-N 447.352 4.595 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCOC(F)F 1300901171 MJQSOATZGLVAJQ-UHFFFAOYSA-N 447.299 4.878 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301054931 BTZWYYNUYKXAOR-QGZVFWFLSA-N 444.992 4.707 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2c(C)cccc2C)CC1 1301129135 KCZSNHILUIPQEM-UHFFFAOYSA-N 437.613 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C)C1 1301143076 CVCBMXCOFJTMIB-IBGZPJMESA-N 436.556 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1301147913 JBNAELUJODCSTJ-UHFFFAOYSA-N 436.604 4.706 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC1CCOCC1 1301206603 GTMMNUWBSQJWIM-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCC(C)CC1 1301239757 TVGZJUGLZBUUOB-UHFFFAOYSA-N 439.604 4.755 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)[C@@H](C)CC)C1CC1 1301317359 QQPCQHUWLWDMKN-DZGCQCFKSA-N 439.423 4.985 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CC(C)(C)OC(C)(C)C1 1301529859 RRRBRLIYJBLSLU-UHFFFAOYSA-N 436.556 4.853 30 10 IJEE C=CCCn1cc(CN[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)nn1 1308349508 MCRBEXMNMPFDBZ-OAQYLSRUSA-N 434.437 4.922 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@H](N2CCCC2)C1 1310923775 IEHCWVJYHQWXPG-AWEZNQCLSA-N 427.364 4.678 30 10 IJEE C=C(C)COCCNC(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1312259267 RVMHQXRRSAZXGJ-JOCHJYFZSA-N 431.374 4.799 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 1352320360 VYZNRHLINYZHIT-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](OC)c1ccccc1C(F)(F)F 1352533647 WKXFGFHFTNEKPG-IBGZPJMESA-N 438.398 4.522 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)Oc1ccccc1 1358877763 KFDDPMXHAYSBNV-LSDHHAIUSA-N 445.386 4.695 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(OC)CCCCC1 1358882688 FVNBYEUVQLAGEK-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358883601 YLGHVPRNVLALIG-IAGOWNOFSA-N 445.995 4.559 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1358908604 CZMYIQKHWAYGHS-HSZRJFAPSA-N 449.643 4.850 30 10 IJEE C#CCCCCn1c(N2CC[C@H](c3ccccc3)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1358917627 WCSOTTGNYJBCMX-VIICAESSSA-N 436.600 4.505 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C1CCCC1 1359093300 LZUUZDHKCLXNCY-DNVCBOLYSA-N 448.409 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@H]1CC=CCC1 1359104035 XDEVMBMZAFLHMT-ROKPMTFOSA-N 440.563 4.770 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccn(C)n1 1359107784 VGNBNOWQPYBPKR-SFHVURJKSA-N 442.995 4.873 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1coc(-c2cccs2)n1 1359109836 QOBQBOJEKMQOTH-UHFFFAOYSA-N 430.537 4.984 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125332 ZDUXSSPBSOKPCG-QHAWAJNXSA-N 437.588 4.966 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359142364 GFLWQIJEPQNZHV-KRWDZBQOSA-N 440.897 4.920 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC(C)C)C1CCCC1 1359287086 LZFZSAXYGMHQCC-IBGZPJMESA-N 431.625 4.984 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1359289957 XGBIZDFWJBGDJJ-NVXWUHKLSA-N 439.387 4.991 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1359294769 DLWZYDGEXXVKFS-UHFFFAOYSA-N 435.616 4.727 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CCN(C)C)Cc2ccc(F)cc2)s1 1360019120 BNVRNEHQYYOUFU-UHFFFAOYSA-N 442.025 4.568 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 1458271856 BNUQDWWHHYHASK-OAHLLOKOSA-N 438.952 4.779 30 10 IJEE C#CCOc1ccc(COC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 1458828723 ZAWAYXIUWVOJPN-GOSISDBHSA-N 446.330 4.601 30 10 IJEE C#CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cn2)CCC3)cc1 1459146950 JYVLMGGNGRWGHT-UHFFFAOYSA-N 436.920 4.781 30 10 IJEE C#CCN(Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1)[C@H]1CCc2ccccc21 1461988165 JZIFPTLSCGJULK-DEOSSOPVSA-N 431.561 4.959 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)CN(C(=O)OC(C)(C)C)C1 1464935942 WFFNVHGCGWUKRW-MRXNPFEDSA-N 427.570 4.801 30 10 IJEE Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(C#N)cc1N(C)C 1466763417 FNYCYFQLOVZSJY-HXUWFJFHSA-N 432.446 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 1467572381 MNEOOCJQYDKUQP-BVAGGSTKSA-N 429.564 4.926 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 1467727502 JLVDXRIRWQAZCW-UHFFFAOYSA-N 435.337 4.960 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(Cl)c(Cl)c1 1468509174 KNZMNYLCOHFYKF-HNNXBMFYSA-N 437.751 4.524 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(Cl)cc1 1470663636 VDXVNBRVSCSBOY-ICSRJNTNSA-N 425.964 4.769 30 10 IJEE N#Cc1sccc1N1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 1473639963 DFAUMUXUMMJABP-UHFFFAOYSA-N 432.549 4.563 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CCc3c(ccc(Cl)c3Cl)C2)ccc1C(F)(F)F 1474908741 AISZGNQFGPGPHA-UHFFFAOYSA-N 435.254 4.631 30 10 IJEE Cc1ccc(C)c(C2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)c1 1475760660 FDVVGIIHYMCVRJ-UHFFFAOYSA-N 433.371 4.506 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1)c1ccc(F)c(F)c1 1476140338 LLNCUMGFOGIFAK-NRFANRHFSA-N 440.450 4.766 30 10 IJEE COc1ccccc1O[C@@H](C)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1476581320 FDBSXDLCZNQMID-KRWDZBQOSA-N 447.539 4.639 30 10 IJEE C=CCCC1(CNC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCCC1 1478385961 JAIUPYQPIGTVHX-GOSISDBHSA-N 437.506 4.632 30 10 IJEE C#C[C@H](NC(=O)NCC(C)(C)Oc1cc(F)cc(F)c1)c1ccc(Br)cc1 1478616702 YOHTZZHHGAZORU-SFHVURJKSA-N 437.284 4.558 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@](F)(C#N)C1)OC 1497210256 GWNZIBHWFMQHMT-HTAPYJJXSA-N 443.523 4.680 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1507555943 GHWCDOIIOGFBEE-JOCHJYFZSA-N 449.002 4.902 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1507590939 GVEAJEXITHNNJK-FQEVSTJZSA-N 443.389 4.690 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507594364 DTIOTRMDUARRKL-RHSMWYFYSA-N 426.870 4.559 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC=C)Cc1ccc(OC)cc1 1507597469 ZZTUAHDJQGRAJO-DHIUTWEWSA-N 436.600 4.811 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1507803606 CDJYVTCBLNQITJ-GFMPLVLUSA-N 438.616 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1csc2ccccc12 1507816115 DBZFFANNNSTIPN-DEOSSOPVSA-N 440.613 4.790 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1507824726 GYUWALMPORTSRG-UHFFFAOYSA-N 446.477 4.587 30 10 IJEE C=C(C)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@]1(OC(C)C)CCOC1 1507836404 JTJNBGPOSUAPQP-LLBVYWAGSA-N 448.995 4.736 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2ncc(C)s2)CC1 1507887302 BVMFEJODJBPONF-INIZCTEOSA-N 427.549 4.721 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1507923760 CGDALPXXVBFSNV-QHCPKHFHSA-N 430.600 4.621 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[S@@](=O)C(C)(C)C)C1CC1 1507987789 CGFFHXHEDDSZAH-XHDOVSQSSA-N 446.686 4.833 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)c1cccs1)C1CC1 1507987833 DKMRVVQFBIAULA-UHFFFAOYSA-N 449.624 4.889 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@H]1C(=C)C)C1CC1 1507988123 IZXJDJFRTZQELG-KDOFPFPSSA-N 449.418 4.905 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCCCCC1)C1CC1 1507989619 GAQIPMLRRSFFAM-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[C@@H](O)C1 1508027998 QECFUDMOBCRGAI-RTBURBONSA-N 440.975 4.978 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1508165706 WVUQHDFCOXRGKQ-XLIONFOSSA-N 439.654 4.935 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2CCc2cccs2)c1 1510582756 GTZWXEJGSITZDT-UHFFFAOYSA-N 435.597 4.908 30 10 IJEE CCOCc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1516438105 BNTKKIQRLWHUOD-VLCRHTCISA-N 439.604 4.520 30 10 IJEE C=CC[C@H](OC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(Cl)c(Cl)c1 1519082123 NGNWHCXBKNUEHQ-IBBFCSCYSA-N 439.339 4.655 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)CCCN1C(=O)OC(C)(C)C 1523304680 YLLKJHVOCGAYKX-GKVSMKOHSA-N 440.540 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 1524836560 XAABYXRSCWNJFG-YKBLPDKLSA-N 438.593 4.638 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 1528209962 SVDGUOIXXGDMCJ-SFHVURJKSA-N 438.490 4.659 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 1529683007 REBIUIYYVDBKJH-UHFFFAOYSA-N 425.463 4.620 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1536778796 QEMRTVVYROOJSB-INIZCTEOSA-N 432.973 4.566 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)C3CCCCC3)CC2=O)cc1 1536888983 CCIYOYAQUZNKNK-ZJSXRUAMSA-N 449.982 4.872 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1538231028 WETQLHNFPKMFBN-QBFSEMIESA-N 430.361 4.824 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1539051930 JNHYDRKZNKMINK-XZOQPEGZSA-N 436.600 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCCN(C)c1ccccc1 1539564014 TURHFSQRQHOELR-RUZDIDTESA-N 448.640 4.543 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1539842160 GSPISFCSHKAVPR-QFIPXVFZSA-N 436.629 4.950 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2csc(C)n2)CC1 1539898258 PVBQOPLQVMQDAR-UHFFFAOYSA-N 444.004 4.921 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC=C(Br)C1)c1ccccc1 1539939608 JGRKPMACRDEIRL-OALUTQOASA-N 443.389 4.631 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncccc1C 1539945633 SESRGGKEIWGSPC-UHFFFAOYSA-N 443.555 4.528 30 10 IJEE Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCCC(=O)Nc2ccccc2C#N)cs1 1540565455 BSVYYVVADWXIEL-UHFFFAOYSA-N 430.533 4.688 30 10 IJEE C=CC1(CC(=O)N2CCC(CCc3ccc(OC)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1540613387 QFFMSSPJMOGYIH-UHFFFAOYSA-N 442.600 4.680 30 10 IJEE CC(C)C1(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCC#N)CC2CC2)CC1 1541311436 AWDQHHFFWNVNDD-UHFFFAOYSA-N 431.382 4.602 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc(Sc2ccc(OC)cc2)ns1 1543563274 QVORHAYCJWLQOF-UHFFFAOYSA-N 429.523 4.524 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)C(=O)OC 1558380745 FEQZRRPQNBNAPA-QGZVFWFLSA-N 431.945 4.677 30 10 IJEE C=CCS(=O)(=O)CCNCc1ccccc1Oc1ccc(Cl)cc1Br 1560412319 QIFAZWCTZBOSMY-UHFFFAOYSA-N 444.778 4.585 30 10 IJEE CC(C)[C@@]1(CO)CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 1562315744 AFVZXVYWDPOCHK-DEOSSOPVSA-N 425.504 4.539 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1ccc(Cl)cc1F 1562464607 LNLRBDFSIKJJTD-FQEVSTJZSA-N 437.858 4.866 30 10 IJEE C#CCN(C(=O)N[C@@H](CCC=C)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1564397211 ZZKURUUSBFIHOO-QFIPXVFZSA-N 425.573 4.738 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC)c1ccc(F)cc1 1564996520 ZNRHMTUJJCRQDB-RBUKOAKNSA-N 431.305 4.818 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2c3nc(Cl)ccc3N3CC[C@H]2C3)s1 1584216858 VNKVLZIKIIDWOE-LBPRGKRZSA-N 441.409 4.513 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)OCC 1585164055 PJMZFDGYMQQSFC-HNNXBMFYSA-N 429.357 4.879 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1587044959 YRFWCHUOWZSFKI-CQSZACIVSA-N 430.455 4.500 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1587245262 LVNPNWUGVSDMPG-HHHXNRCGSA-N 448.563 4.675 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1587773891 YPOWJVWLMKRYJP-XMMPIXPASA-N 429.568 4.808 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCO[C@@H](C)C1 1589607998 ABWBUOXXOGKQQM-IBGZPJMESA-N 432.012 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CCCN(C)C(=O)OC(C)(C)C 1589668935 HSKQWVVYRJZBAQ-UHFFFAOYSA-N 441.620 4.837 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1593711792 IUFCGWVHEOBJTK-HOYKHHGWSA-N 439.629 4.854 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(F)F)C1 1593763897 SNJBVTZOSUVOSG-IBGZPJMESA-N 434.531 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1594504066 GGLUKRKBGMFFRZ-UHFFFAOYSA-N 428.596 4.792 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC1(C)C)C1CC1 1595055003 WVJWDCGIUYNUDE-QZTJIDSGSA-N 429.609 4.594 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1ccsc1Br 1595282749 IXFVFDJHCRRQAA-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@H](C)C2)C1 1595700713 RLRKNNPXPYARFZ-DBXWQHBBSA-N 430.980 4.585 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H]3C[C@@H]3C2)c1 1616516769 FCWRJSIFTNQLAU-RCCFBDPRSA-N 444.984 4.640 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)ccc1OC 1620965726 QUHKYBZYWKVUOO-QHAWAJNXSA-N 430.589 4.775 30 10 IJEE N#Cc1sccc1C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 1624431029 CLKOIEZRGILDIA-UHFFFAOYSA-N 427.982 4.960 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](O)c1ccc(Cl)cc1 1627691997 CPAWTLXIPPRGHE-GOSISDBHSA-N 426.713 4.880 30 10 IJEE C=CCN(CCC#N)C(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1628430645 SGFIQFLNCIEXTC-RUZDIDTESA-N 443.547 4.788 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1 1631096804 RFKUOQWNJFZFFI-IBGZPJMESA-N 432.495 4.977 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)n1 1637206221 GPRLWTKIFXPLAO-OAQYLSRUSA-N 437.906 4.530 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 1638491527 BDVKVYQSRJLXDA-LJQANCHMSA-N 447.645 4.978 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccc(Cl)cc1 1642103442 ZRUJKOSCMHIDRV-RTBURBONSA-N 434.870 4.675 30 10 IJEE C#CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCCc2ccccc21 1648424525 YYRMUNFERREBEE-OAQYLSRUSA-N 436.353 4.936 30 10 IJEE C=CCn1c(SCCOc2ccccc2C(=O)OC(C)(C)C)nnc1-c1ccco1 1651730329 QPMWLOZMZJURFI-UHFFFAOYSA-N 427.526 4.851 30 10 IJEE COc1ccc2c(c1)OC(C)(C)CN([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 1653927353 GYXAZALDXCBPIW-HXUWFJFHSA-N 435.568 4.620 30 10 IJEE CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 1655474495 CTTKBGBWDGUFKC-OAHLLOKOSA-N 435.902 4.850 30 10 IJEE C=CCN(CC=C)[C@@H](CNCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(C)C 1656029670 PWOVBOWJYPJEHW-DEOSSOPVSA-N 427.633 4.768 30 10 IJEE COc1ccc(C2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)CC2)cc1 1657411378 HZMZVADCCUVWIR-QGZVFWFLSA-N 437.609 4.961 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 1657878201 YJHABWPLRRNVGE-INIZCTEOSA-N 433.821 4.744 30 10 IJEE O=S(=O)(NCc1c(F)cccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1661696394 DWGIJKPMOTUPHD-UHFFFAOYSA-N 435.748 4.995 30 10 IJEE N#Cc1cccc(CS(=O)(=O)N(Cc2ccccc2Br)C2CCCC2)c1 1662171870 APPAAVNJGYHDSG-UHFFFAOYSA-N 433.371 4.595 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C 1662572957 CANZCKAXNPEIGL-MRXNPFEDSA-N 435.322 4.793 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(CC)cc(CC)cc1CC)c1ccc(Br)cc1 1664133254 JRUWWCSVLWBUHQ-FQEVSTJZSA-N 434.399 4.789 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CCC(c3ccccc3)CC2)cc1 1673393205 MNNCFNCECRBCTC-UHFFFAOYSA-N 441.597 4.589 30 10 IJEE C=CC(C)(C)CCCNC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1675393545 KFNOLAIOOUVAEZ-VQIMIIECSA-N 425.976 4.533 30 10 IJEE C#C[C@@H]1CCCN(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)C1 1676337807 HNVODGKANPELMH-OAHLLOKOSA-N 444.432 4.714 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccnc(OC2CCCCC2)c1)c1ccc(Br)cc1 1678120185 KJPCWEBYTTXXHE-HXUWFJFHSA-N 442.357 4.729 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)N(Cc3ccccc3F)C3CCCCC3)C2=O)cc1 1681300363 GMJUSFRKTLQYBQ-DEOSSOPVSA-N 448.542 4.737 30 10 IJEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3(c4c(Cl)cccc4Cl)CCC3)C2)nc1 1681903584 FJGYTHCPGRJSGA-INIZCTEOSA-N 445.350 4.545 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)c(C)c1 1689906144 IYJRZLFGGFXVNO-FYYLOGMGSA-N 438.616 4.954 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@H](C(C)C)C1 1689939931 HJWLGAZEJUYYLC-FQEVSTJZSA-N 430.643 4.570 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(COC(C)(C)C)on1 1690059119 JQAVTCQMFCRJCH-QFIPXVFZSA-N 435.572 4.631 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H](C)CCC 1690163410 FEDLODCRTXAARR-CQSZACIVSA-N 439.398 4.838 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCN(C)Cc2ccccc2)CC1 1690413419 SFDWUUQCZANULS-UHFFFAOYSA-N 435.641 4.855 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1690576042 LHTIPAFSUVYHNP-VQTJNVASSA-N 436.629 4.715 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc2cccnc12 1690601212 UGDRXDNEXBVMBN-FYYLOGMGSA-N 431.584 4.972 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC1C[C@@H](C)O[C@H](C)C1 1690601869 DFWZTQPQLDHNHT-NHCUHLMSSA-N 433.600 4.722 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690683326 HTQNFNRSZOXUCJ-UHFFFAOYSA-N 448.615 4.511 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCSCC1 1690735911 MIVDSOJCLKYEHU-UHFFFAOYSA-N 443.667 4.849 30 10 IJEE C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)c1nccs1 1692732484 HRGUSSHREBUPQF-PMECCGAFSA-N 442.633 4.587 30 10 IJEE C[C@H](COCc1ccccc1)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1692739075 IFGHOQXRPVFQIN-HOKHCIIBSA-N 437.588 4.503 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1692939188 IDGAAOWTCXXHAO-UHFFFAOYSA-N 443.580 4.785 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)[C@@H](C)CC)CC1 1695469066 HHDZHWNEGHXNBW-PMOQBDJRSA-N 439.604 4.663 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)C(F)(F)F 1705484597 RUXYFKPNFIQAPS-LLVKDONJSA-N 447.274 4.893 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)CCC(C)C 1705541321 GANHROJNPKEPNR-DVECYGJZSA-N 447.023 4.945 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](c1cccnc1)C(C)C 1705611615 KLSWSULNYITIQD-QFIPXVFZSA-N 440.551 4.894 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC1 1705696431 NWTUXUBNHXLQCI-AZUAARDMSA-N 445.405 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](OC)[C@H](C)CC 1705711127 BICVCXHGPCLOAM-CRAIPNDOSA-N 438.414 4.510 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@H]1C 1705786694 WASDCHAOLMUVRG-RTBURBONSA-N 428.577 4.644 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705792447 UAVAYCHJGYMDSW-SFTDATJTSA-N 440.588 4.644 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C)[C@@H]1C 1705817043 BFNFMBBUGNRRHG-GBESFXJTSA-N 449.665 4.689 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCc1ccsc1 1705836675 BMPBPTDZMLXTNB-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCN1CCCC[C@@H]1CC 1705859509 BPXRDJAWRPCSPD-QHCPKHFHSA-N 443.599 4.602 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1CCCCC1 1705876292 UASZGTCSKBMMTJ-UHFFFAOYSA-N 429.559 4.590 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 1705916888 SFSUYBRAWLYNTI-WMLDXEAASA-N 449.386 4.576 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)n1 1707839054 GMAHBVQJOQQVRE-FDDCHVKYSA-N 431.588 4.735 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C 1710402402 BTARKIHEFPACNC-LVCYWYKZSA-N 427.618 4.598 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOCCc1ccccc1 1722346202 MUWBZYBDZRGKGS-FQEVSTJZSA-N 448.636 4.850 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCCN1CCC[C@H](C)C1 1722418541 URCKULGJNIWKRU-NRFANRHFSA-N 448.590 4.564 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722597938 VINJDVFRQULCCT-FQEVSTJZSA-N 427.549 4.994 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@H](CC)C1 1722612057 OSAHMNOBHXOLLU-GOEBONIOSA-N 437.357 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(CC)nn(C)c1CC 1722636726 NLXOYJWVXCNJRB-UHFFFAOYSA-N 433.387 4.781 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)s1 1722656080 PUJIIGAVKVIERZ-DEOSSOPVSA-N 438.597 4.541 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1CCSC1 1740566532 VTUKCWFWBOZLGD-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1740577648 KYZRPCOZZXKOJI-IAGOWNOFSA-N 431.378 4.658 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCc1sc(C)nc1C 1740677226 GYPMMZYTTAGLLD-UHFFFAOYSA-N 449.555 4.941 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ncc(CC)s1 1740727742 XOEZNTZQMBGGEW-JOCHJYFZSA-N 443.523 4.606 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCc2nccn2C1 1740767714 YXEKGSXHRKSZDJ-FGZHOGPDSA-N 448.615 4.896 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@H](c2ccccc2)C1 1740807614 HMTKHBDCKKUKEX-SFHVURJKSA-N 430.339 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(F)cccc2OC(F)F)CC1 1740837368 KQQOJQIVNYCSRL-UHFFFAOYSA-N 443.473 4.840 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](SCC)C1 1740876928 PBGYGLLFXMMADE-RXVVDRJESA-N 428.602 4.869 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccsc1 1740882413 KNABVGHOQIRUDJ-SFHVURJKSA-N 429.977 4.989 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](c1ccco1)N(C)C 1740894142 KBVQKKLQPQIZQM-GOSISDBHSA-N 444.377 4.534 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC(C)C)c1ccccc1OC 1740902154 ZTVDMFBHMRGWSH-HXUWFJFHSA-N 441.963 4.791 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOC1CCCCCC1 1740905194 NHZMBTGAGIJIGR-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1(CC)CCOCC1 1740935119 CCFRLWJFCBRBKI-QHCPKHFHSA-N 438.616 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CC 1748652285 YYBGCGUCTGHCJF-QUCCMNQESA-N 425.646 4.608 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@@H](CC)C1 1748727919 ZFRVVMTWHXCRRB-SFHVURJKSA-N 430.643 4.714 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC 1748760319 ZTKLGMLMEJALLP-WMZOPIPTSA-N 431.378 4.658 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1748938774 CCOABXDYLQWKHD-SQJMNOBHSA-N 439.673 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CC1CCN(CC(F)(F)F)CC1 1749060729 AQFOARWYYGBYOY-HSZRJFAPSA-N 445.533 4.520 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2ccncc2)CC1 1749334764 MJDHNIQXGHZFSS-UHFFFAOYSA-N 447.583 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1749358793 QKOVPGXQUCSXLC-XMSQKQJNSA-N 432.572 4.934 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C)ccc2C)CC1 1749359220 VXGKYOABUAKNOZ-UHFFFAOYSA-N 432.616 4.829 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCSC1(C)C)C1CC1 1749511333 VADIFOLGPYCNRJ-QGZVFWFLSA-N 428.602 4.649 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1749557367 HWMFIXHVPXDKML-GOTSBHOMSA-N 436.648 4.911 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC([C@H]2CCOC2)CC1 1749689605 HSLXREQHTLVHNG-QFIPXVFZSA-N 438.616 4.733 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1749741170 RMFFDUHZXJILLP-QGZVFWFLSA-N 449.571 4.548 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CC1 1749754186 GYKKJJZZDWLBMM-LJQANCHMSA-N 449.665 4.548 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCO[C@H]1CCCC[C@@H]1C 1750062399 GJWLSJMXDABBDS-MSYCTHLASA-N 447.587 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C(C)C)cs1 1760107799 XINHLAXBIJMDLL-CQSZACIVSA-N 429.977 4.693 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 1760130624 KHWCCVDEPAUAHB-UYAOXDASSA-N 430.980 4.717 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760150277 XQIIEGRHFJGXAM-GOSISDBHSA-N 437.956 4.523 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@H](OCC)C1CCCC1 1760167115 CSWKJBDRPWYHKS-FQEVSTJZSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(OC)CCCCC1 1760229726 CKKZAMZJVSNTHL-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1CCC(OC)CC1 1760290171 YCTUGBKIBVWRBR-RFNIIBAYSA-N 440.563 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCO1 1760291390 NEKBFHAXNVGNOP-PGRDOPGGSA-N 443.389 4.577 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)C1)c1ccccc1 1760364952 HYDRRYQDZYPFGW-CEWLAPEOSA-N 426.630 4.852 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2sc(C)nc2C)CC1 1760393069 GZVUXIGSYQRYBY-UYAOXDASSA-N 429.634 4.669 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC[C@H]1C 1760425385 LCYADQJQDLVBHX-MOPGFXCFSA-N 449.665 4.691 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760428236 RMBNPRMFFUCVLP-DLBZAZTESA-N 437.009 4.821 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1760501891 GTTDGNYQGOGRDW-VQTJNVASSA-N 426.605 4.697 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760532591 ZERNKNSFGCCZKG-WOJBJXKFSA-N 434.588 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)c2cccs2)C1 1760539554 QJNMLGBRGBWOGR-HXUWFJFHSA-N 438.597 4.774 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](CC)C1 1760560446 VSRDDYFOHPCDPR-WMZOPIPTSA-N 437.009 4.606 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)S[C@@H](C)C2)c(C)n1 1765804761 DHGWRNIBXLSITO-ROUUACIJSA-N 449.628 4.500 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)C1 1766461602 HITYWCDRPPBMKZ-HXUWFJFHSA-N 435.597 4.682 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(C3CCCC3)n2Cc2ccc(F)cc2C(F)(F)F)C1 1771528934 GNJJFQNNMRVLRQ-LJQANCHMSA-N 425.405 4.584 30 10 IJEE COC(=O)c1ccc(Cl)c(NC(=O)c2nc(-c3ccccc3C#N)n3ccccc23)c1 1858353297 LPCZUZMVTPRKRQ-UHFFFAOYSA-N 430.851 4.565 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1OCCC(=O)c1ccc(Br)cc1 1858827738 RBAJZRGZWQCPPA-UHFFFAOYSA-N 444.329 4.702 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(C)nc3c(Br)cccc23)nc1C 1859644087 CTYCJCMUCXBKOD-UHFFFAOYSA-N 446.326 4.666 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cc1 1860855062 YPWYHFSLQPIUJB-UHFFFAOYSA-N 434.293 4.503 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)[C@@H](C)CC 1861170463 ZZDZFQOFEKTVRU-DHLKQENFSA-N 443.676 4.906 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCCCC)cc1 1862420797 APDUBWZDUBRDFH-NRFANRHFSA-N 427.447 4.908 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862437885 BCJUUCHVQBAEQO-HXUWFJFHSA-N 429.900 4.734 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862450456 HPVUFKCXZUJMLN-XCLFUZPHSA-N 429.900 4.821 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(OC)c2)cc1 1862474313 MWHFIBLIRJJBPX-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862481371 DIFSJXHAUNCYOF-OAQYLSRUSA-N 438.480 4.767 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OCC)c(OCC)c1 1862541959 XHFHJHJMXJJBOH-QHCPKHFHSA-N 435.520 4.811 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862562212 ARYBSYLTZQENEI-IBGZPJMESA-N 443.286 4.947 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC(C)C)cc1 1862606448 RSPITHNSBLLWCN-HSZRJFAPSA-N 435.520 4.645 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)cc1F 1862638515 CSUGUXCNNIZWHE-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1862655106 ZVCDWIVPHJEFNH-JOCHJYFZSA-N 430.460 4.982 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862674721 RNTVDXLLRSFFJN-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(Cl)c2)c1 1862700888 QWLDXEXCSFPMBC-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1 1862965697 BVOOHNSNEKMFJL-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863297255 LPSKFQDMWWQSQR-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1863316303 OTWARMCQCMVWBK-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@H]1c1ccccc1 1868355212 BGSFGVWHMCOGKF-QFIPXVFZSA-N 426.568 4.882 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2)n(-c2ccc(Cl)cc2)n1 1870002575 PQLIDXOZFOCLEI-UHFFFAOYSA-N 429.858 4.630 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccc2cc(Cl)ccc2n1 1870162164 NLSZCRLVOLCBSZ-UHFFFAOYSA-N 442.788 4.612 30 10 IJEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CNc2ccccc2C)cc1=O 1871011127 YNILPDOUCXIYLD-SANMLTNESA-N 441.575 4.618 30 10 IJEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)o2)cc1 1871284620 FLMPEODLCHKCLY-UHFFFAOYSA-N 443.528 4.913 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871457127 QKRNKYMSKYWARV-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871457189 TWKXQJOURURHRM-FMCGGJTJSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871753991 LJTCKYNCUZEWDN-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)C1CC1 1871816351 KADCDWHPAYIHIF-SFHVURJKSA-N 432.508 4.573 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CC 1872192457 DSTUJZMRLQOMSH-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872224385 IMHVWDHNMXBOKK-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872267827 MLHTZOANMXVDNG-WZONZLPQSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872429266 ACDNKGZHFXHWII-GOSISDBHSA-N 441.018 4.940 30 10 IJEE C=CCN1C(=O)C(Nc2cc(OC)c(Cl)cc2OC)=C(c2c(C)cc(C)cc2C)C1=O 1873330746 RQZGZCFZJLLHLO-UHFFFAOYSA-N 440.927 4.660 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874222910 IUMIEKFGZPUDMA-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccccc1OC(C)C 1874239569 OQXIFAHYCFDETG-OEAKJJBVSA-N 426.542 4.647 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 1874416867 MAKLAKVUHVIVRH-LFVJCYFKSA-N 429.505 4.952 30 10 IJEE COCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1OC(C)C 1874472676 RASRDMWORHKRSH-ZVHZXABRSA-N 428.533 4.568 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(CC)cc1 1874477533 BKIHGFAEJVQZQN-OEAKJJBVSA-N 426.542 4.737 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874488759 IKFRBPWCXPRLIQ-AFUMVMLFSA-N 446.580 4.581 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)OC)cc1 1874502520 LPXYZWACQKDBLW-AFUMVMLFSA-N 446.532 4.539 30 10 IJEE CCCOc1ccc(/C=N/n2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1OCC 1874537871 BVRBBBVWJZBSEM-YDZHTSKRSA-N 441.513 4.548 30 10 IJEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874572099 VZFJSHSYCDFZDR-CSKARUKUSA-N 429.310 4.776 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl)Nc1nccs1 1874626133 NXINYDMFGWIKOR-ORCRQEGFSA-N 434.851 4.988 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1874747110 UGJVIILBBFDFTL-UHFFFAOYSA-N 428.872 4.714 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1875105317 OBNCMTTYURGADC-SXQCNTSWSA-N 436.247 4.882 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccccc1 1875147747 JMHBLDOYAKQIRP-JXMROGBWSA-N 430.456 4.511 30 10 IJEE COCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875176298 AQVDKIRKZWPFGN-SOFGYWHQSA-N 447.325 4.913 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891155488 OUVSKYHPSJPLHB-ZDUSSCGKSA-N 446.252 4.978 30 10 IJEE COc1ccc2c(Cl)c(C(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)sc2c1 1891362396 IBSZHICILGMDON-OAHLLOKOSA-N 441.940 4.761 30 10 IJEE CCCc1nc(Br)c(Br)n1CCCB1OC(C)(C)C(C)(C)O1 1935694177 VFEZHIBEIVYAGV-UHFFFAOYSA-N 435.997 4.843 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CCC12CCC2 2008287768 XBNPUIVPYHOICE-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)C12C[C@H]3C[C@@H](CC(NC(=O)OC(C)(C)C)(C3)C1)C2 2013344006 WQZIVCSPQBZARA-PHGFOVGGSA-N 426.601 4.950 30 10 IJEE CC(C)[C@@H](C#N)C(=O)Nc1cc(Br)c(Br)c(Br)c1 2034334344 MAPCVTAIRIWSFM-MRVPVSSYSA-N 438.945 4.708 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(Br)cc1C 2060545175 DJVOGNYECROUHB-CYBMUJFWSA-N 431.396 4.637 30 10 IJEE COc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2079873481 PJDMYHZMMUIYQP-SFHVURJKSA-N 447.320 4.943 30 10 IJEE CCOc1ccc([C@@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1 2080070547 DRGKSOQKMZEBHU-MRXNPFEDSA-N 441.313 4.638 30 10 IJEE COc1c2c(nc3c(-c4nc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCCC2 2081427681 WVCLUMJKOGQNEX-UHFFFAOYSA-N 434.315 4.855 30 10 IJEE CC(C)(C)OC(=O)NCCN(c1cc(Br)cc(F)c1C#N)C1CCCC1 2130096870 KGLFLDLOQOCASE-UHFFFAOYSA-N 426.330 4.734 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 2235720087 BSDQWYKNWNDVLS-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCN(Cc2ccccc2)CCC1(C)C 2239859162 UWQBMVNDPNAKNU-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2248511970 DXTGOJFCWLUVEI-ATIYNZHBSA-N 426.601 4.513 30 10 IJEE CCN[C@H](C#Cc1ccccc1F)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2255273578 NPXABEZUZVVUGE-IEXUWNMDSA-N 440.559 4.654 30 10 IJEE CCCN[C@H](CC#CC1CCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2261097450 OUVTUNSZKDZSMG-JWQCQUIFSA-N 441.660 4.964 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)CCC2 2267101716 ZSAZKHOFMLSGON-QZTJIDSGSA-N 442.365 4.795 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(Nc1ccc(Br)cc1C#N)C2 2270305483 IHRKZGGGCHLILI-HZPDHXFCSA-N 438.391 4.616 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296266805 MHKBOGSDOAGOMC-RBUKOAKNSA-N 434.374 4.731 30 10 IJEE CCc1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 2318415181 MQUIVEBIESMEKC-UHFFFAOYSA-N 437.352 4.906 30 10 IJEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323556486 MQGKJFORIYQSPM-UHFFFAOYSA-N 437.455 4.785 30 10 IJEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324155966 ZIKKBSDLILGDMZ-UHFFFAOYSA-N 444.443 4.624 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cnc(C)cn3)c2)cc1C 2325770517 ZDBNVMJOPYSYFK-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(=O)O)cc1 2328944882 QECIYFTVMDFFNW-UHFFFAOYSA-N 434.565 4.929 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCCO)cc1 2329522038 HJBSDVAYRSNCGD-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)cc1OC 2330724159 KZZHSGIWZJSCES-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2F)c1 2330821163 TWCFKYHUXGGUHB-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2330972074 CGUDMXJIPKOUOD-HXUWFJFHSA-N 430.884 4.728 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCc1nc(O)c2ccccc2n1 2331467420 OOYSOHVAIDERHF-UHFFFAOYSA-N 438.582 4.670 30 10 IJEE C[C@@H](CCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1)CCNC(=O)OC(C)(C)C 2339538479 XTOPBRODZXDCFB-SFHVURJKSA-N 445.413 4.501 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@@H]21 2339539386 GZEDJITUAOGPKP-QYZOEREBSA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]1C(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587917 AOEJKBOYFMCCPN-SZEUEKNRSA-N 444.381 4.893 30 10 IJEE CCC(CC)(CNc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)N(C)Cc1ccccc1 2345742714 GSMKFZPXALCIMR-UHFFFAOYSA-N 441.400 4.623 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357064547 XZMZQHLXQGKOKP-TWFMJERGSA-N 447.428 4.802 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@H](O)C#Cc1cccc(Br)c1 2363477320 OYPFCUKAAVYVGD-RTBURBONSA-N 436.390 4.977 30 10 IJEE CN[C@H](C#C[C@@H]1CC1(C)C)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2365095407 FNGYAAIMMHBQCP-BHIYHBOVSA-N 435.406 4.522 30 10 IJEE CCCCCCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2 9597323 FPVNKKNMUQXYSN-OAQYLSRUSA-N 442.585 4.990 30 10 IJEE COc1ccc(CN/C(=N\C(=S)Nc2cc(C)ccc2C)Nc2nc(C)cc(C)n2)cc1 14156647 YKFKXSHXMVTBTD-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccc(OC)cc1 23998324 CLVHIZFPLZLMFC-ZWKOTPCHSA-N 448.592 4.988 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)c1 33454218 BEQWFNIIDBVOSN-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE COc1ccc(C(=O)/C=C\c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c(OC)c1 34954234 XLQOPIFCDUZABC-POHAHGRESA-N 432.428 4.548 30 10 IJEE N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 36564386 PFABVDGLYHULPF-UHFFFAOYSA-N 443.572 4.739 30 10 IJEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2cccnc2)nc2ccccc21 40180990 OWFFXOKJJHPZNI-UHFFFAOYSA-N 426.520 4.559 30 10 IJEE COC(=O)/C(=N\Nc1ccccc1OC)Sc1nc2ccccc2n1-c1ccccc1 59121509 HOCWPICZOLGJCX-YYADALCUSA-N 432.505 4.725 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSCc1cc(-c2cccs2)on1 61199108 MUKLEAVWWSSPJQ-UHFFFAOYSA-N 429.523 4.759 30 10 IJEE CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C/c2ccc(OCC)cc2)C1=O 100209194 YENFRPJOKTYCPL-QGOAFFKASA-N 440.477 4.537 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC(C)C)c1 169939191 BIXRGDNYBOQXKA-HSZRJFAPSA-N 449.503 4.835 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1OC 169939860 HRJQYZRRRATFIL-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 169963740 UVHWEXLCBHATHG-HXUWFJFHSA-N 425.362 4.592 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1 170135544 OXMLXILNMZABJJ-QFIPXVFZSA-N 435.520 4.929 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143167 BJFNKLXQPRDADX-GMAHTHKFSA-N 435.520 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1Cl 170162458 UOFGXTQCPMIUKX-SFHVURJKSA-N 429.881 4.782 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccn2)c1 170172573 RVCXJCAXOOEGHF-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccnc1 170196922 WOZHYCGMPKGJHZ-JOCHJYFZSA-N 434.536 4.909 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2C)cc1 170272365 NLGMCTWFRZDONP-XMMPIXPASA-N 441.483 4.858 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)c1 170289640 UFDNTTASSUPXMH-OAQYLSRUSA-N 448.862 4.986 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(C)o2)c1 170302217 GJRQZFPQARHRIP-QHCPKHFHSA-N 429.472 4.923 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cn(C)c3ccccc23)c1 170394455 QHWYYCBUOBNEJG-XMMPIXPASA-N 437.499 4.973 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1ccccc1 170413147 QMOBPPKMAFMELW-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccco1 170421883 MQPZIVKQMMGODO-FQEVSTJZSA-N 425.843 4.893 30 10 IJEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)c1 170432503 XCURYXODOZXNIA-FQEVSTJZSA-N 433.508 4.704 30 10 IJEE NC(=S)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 254607327 SQQWHMHZEDGTEB-UHFFFAOYSA-N 433.158 4.502 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 407400183 JKNIUEUGRAUQLE-WMLDXEAASA-N 431.321 4.685 30 10 IJEE C=CCn1c(SCc2noc(-c3scnc3C)n2)nnc1-c1cccc(Cl)c1 481378346 USWWIMCBWUFLRS-UHFFFAOYSA-N 430.946 4.892 30 10 IJEE Cc1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)nn1-c1ccc(Cl)c(Cl)c1 484166314 GZAIOXCNXOYMEB-UHFFFAOYSA-N 426.307 4.885 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 508489801 OSCSCDPHLSYJSU-NHCUHLMSSA-N 440.906 4.511 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1CN1CCC[C@H](C)C1 519510792 JQTURQGGIJXJBD-FQEVSTJZSA-N 436.556 4.725 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488945 NHWKCGKFMFLSQN-XMMPIXPASA-N 442.471 4.641 30 10 IJEE N#Cc1cccc(NC2=C(SCc3ccco3)C(=O)N(c3cccc(Cl)c3)C2=O)c1 526667356 WDWAMRXQSDVWPK-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1cc(OC)ccc1OC 526817392 KOPOPUXNHNMKFT-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H](c2ccccc2)O1 549954276 BQMBYQKFWJEHEA-FDDCHVKYSA-N 441.560 4.893 30 10 IJEE C=C(CC(=O)CCc1ccc(C)cc1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585825736 KKWOLHBUIBBZMM-UHFFFAOYSA-N 447.623 4.887 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C#N)CC1 730216974 XOBPQTLBIFXONC-CJAUYULYSA-N 445.563 4.702 30 10 IJEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732595991 GOZDIFHUCVPQJP-XPWALMASSA-N 440.499 4.725 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCc1ccc2ccccc2c1 734025334 LLQVQDCARHVTIB-UHFFFAOYSA-N 432.423 4.709 30 10 IJEE Cn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(Cl)ccc1OCC#N 735231124 QHRYOXXIWRMKAE-UHFFFAOYSA-N 435.336 4.896 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 744839915 LNTXXRLOVNNXDM-ORAYPTAESA-N 435.307 4.839 30 10 IJEE C=CC[C@]1(C(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)CCCN1C(=O)OC(C)(C)C 784941891 GKSROCCPFLYYEB-IQMFZBJNSA-N 445.491 4.826 30 10 IJEE CC[C@H](NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccccc1 787037431 QZIHCSDERIMUBD-QAPCUYQASA-N 425.460 4.678 30 10 IJEE CC(C)(C)n1ncc2c(O)nc(NN=CC(c3ccc(F)cc3)c3ccc(F)cc3)nc21 799879484 DIQBEFORFAZTKV-UHFFFAOYSA-N 436.466 4.795 30 10 IJEE COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc([N+](=O)[O-])c1O 1084399253 RQOPMERKEDMJTE-NTUHNPAUSA-N 440.264 4.507 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccccc3O)n2)cc1 1084475013 HHXPZJCFCBYWFA-HNNXBMFYSA-N 438.557 4.591 30 10 IJEE C=CCN(C(=O)[C@H]1CC[C@H]1C(=O)OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1124485602 JPVDLCNACMYGJR-QWHCGFSZSA-N 425.337 4.835 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(OCC(F)(F)F)c2C)CCCN1C(=O)OC(C)(C)C 1125824270 NVAAMKQFCMUYQZ-NRFANRHFSA-N 440.462 4.668 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)cc1 1128193836 RTRIWDAOTIOUKD-UWJYYQICSA-N 432.561 4.820 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC 1131105884 MYVKUDOELHPMPY-XXBNENTESA-N 446.547 4.746 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C(=O)OCC 1132935031 XHCUBMPJWCAXOR-IBGZPJMESA-N 440.569 4.677 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(C(C)C)C2=O)nc2scc(-c3cccs3)c2c1=O 1188075371 TXELDOQENPUVNE-MRXNPFEDSA-N 445.635 4.864 30 10 IJEE C=C(C)Cn1c(S[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 1188916227 XZQXURHMCGNZMP-KRWDZBQOSA-N 448.470 4.941 30 10 IJEE CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)c1ccccc1Oc1cccc(Cl)c1 1194232584 AADOMEYEZJDLFR-SJORKVTESA-N 435.977 4.851 30 10 IJEE CN(CCN1CCOC(C)(C)C1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 1198757893 AHKCUKFSJDBYBT-UHFFFAOYSA-N 442.947 4.578 30 10 IJEE C#CCN(C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)[C@H]1CCCc2ccccc21 1219018110 OMELEXYHQYXFSG-QFIPXVFZSA-N 441.934 4.860 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCCc2ccccc21 1226593706 NOPVKYGJUAVBJA-KCZVDYSFSA-N 425.573 4.545 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1)c1ccc(F)cc1 1248603179 HNDCMACKIHCANE-XMMPIXPASA-N 434.467 4.809 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 1251384425 SIODSADHXIQEKW-XXBNENTESA-N 439.531 4.597 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCC[C@H](C)C1 1286272232 AKNXSQPKWYDYAP-RBUKOAKNSA-N 445.558 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)Cc1scnc1C 1286558893 RSIUDYQVCFNNQH-REWPJTCUSA-N 437.613 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCCCCC1=O 1286570187 PDEJDFNYASXGSR-UHFFFAOYSA-N 449.643 4.943 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286643393 HASSIYZUBUSODL-UHFFFAOYSA-N 443.979 4.622 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2C[C@H](OC)C(C)(C)C)C1 1286802995 FRWXPJSYNHMSDI-VXKWHMMOSA-N 438.616 4.591 30 10 IJEE CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1291350072 HNHGZMGXTGSEGO-XMMPIXPASA-N 441.576 4.537 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 1292545809 JXPPTMCEUHCJTO-LJQANCHMSA-N 438.528 4.522 30 10 IJEE C#C[C@@H](NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)c1ccc(Cl)cc1 1298925426 GGHUKTHUCXKFLR-LJQANCHMSA-N 429.278 4.887 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](OCC)C1 1300347134 AIJIATMBQSVZQS-ICSRJNTNSA-N 426.630 4.940 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(C)C(C)C 1300558870 FHSPZFGMAFOKHK-UHFFFAOYSA-N 440.016 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](COCC)C1 1300870428 SKTKWZZCENJHEJ-UZKOGDIHSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(OC)CCC(C)CC1 1300905747 VICVEMXYBRZWFC-UHFFFAOYSA-N 427.549 4.851 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)SC)CC1 1301085538 MYBKLGVQIXFQNG-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ccc(C)cc2)CC1 1301091470 FTHXIMCRNVOLDD-IBGZPJMESA-N 435.597 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCc2cccc(Br)c2C1 1301158993 RSGANDRBCGXJHY-UHFFFAOYSA-N 433.394 4.742 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1301240576 CRYZPZXODYAULE-DNVCBOLYSA-N 449.368 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1301384220 NATLQBMDUUGABD-SFTDATJTSA-N 437.588 4.798 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H](C)CC#N 1301602059 XNNYRGLXIIZOCX-HNNXBMFYSA-N 434.407 4.674 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 1310018702 LRAZEEIRJOOAAH-NRFANRHFSA-N 426.992 4.791 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)C[C@H](O)CC 1310862582 NZSDXVUVBYFDAE-GOSISDBHSA-N 433.346 4.819 30 10 IJEE C=CCn1cc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)nn1 1353708758 VTVLIAAZZJIHHI-QGZVFWFLSA-N 440.334 4.814 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccccc3C)cs2)CCCN1C(=O)OC(C)(C)C 1355787554 CJRSCHVTECHRIR-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 1355822132 DSAHZWVQDXGEIA-UHFFFAOYSA-N 437.974 4.938 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358878736 CNLCHYJMNPWVRF-IRXDYDNUSA-N 445.995 4.559 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1358933921 IWIUQSBJBVLHKN-QHCPKHFHSA-N 449.643 4.767 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(CC(C)C)C(C)C 1359053640 SUSRWIGLJUNALV-UHFFFAOYSA-N 435.435 4.945 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)C1CCC(C)CC1 1359060573 AIXPKZNADIJOTI-UHFFFAOYSA-N 426.630 4.855 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1359062388 GGDOJLDXKLBUHI-XIYVOTBMSA-N 430.662 4.578 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1359109603 HUMSKYXTHDHKDK-REWPJTCUSA-N 442.604 4.816 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1359158926 ILUQQKUAPZVBBE-NNMXDRDESA-N 426.536 4.695 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1359176680 KBNHPMVVXZJTHI-XMMPIXPASA-N 432.616 4.769 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)C)C1 1359183352 JIEOSQUUXXVRKD-IBGZPJMESA-N 444.023 4.946 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)Oc1ccc(Cl)cc1)C1CC1 1359252122 FVKBLPWCUXICRT-HNNXBMFYSA-N 444.004 4.910 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)c(F)c1 1359263300 XOMALPUPXQLODZ-UHFFFAOYSA-N 436.560 4.781 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCCCO1 1359310712 DMLDCIOTQRVYSP-OAQYLSRUSA-N 438.597 4.549 30 10 IJEE C=CC[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1359981695 ZHFQHRBNXQZSKE-GOTSBHOMSA-N 426.988 4.968 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 1360164116 OQHVWHUIKBRYFL-LJQANCHMSA-N 448.441 4.922 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C 1360321785 RLNHAAPMDQZFFJ-VCOUNFBDSA-N 428.573 4.683 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1coc(-c2ccc(Br)cc2F)n1 1435175718 BWYHYMOWQOOWAU-UHFFFAOYSA-N 431.261 4.738 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C)c2C#N)C1 1436522858 HGJPBMQKHYEPLD-OAGGEKHMSA-N 431.602 4.965 30 10 IJEE N#CCn1cc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Br)cc23)cn1 1442399163 AWKPBBLJXSBNJS-UHFFFAOYSA-N 448.324 4.889 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2CCOC[C@@H]2C)c(Cl)c1 1461669866 ICTOMBADQGQRKW-HNNXBMFYSA-N 449.776 4.952 30 10 IJEE C=CCOc1c(Br)cc(CNc2nc3cc(OC)c(OC)cc3[nH]2)cc1OC 1461724538 MZYFYFSNXFVIJX-UHFFFAOYSA-N 448.317 4.528 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 1463753997 SNIVYQMJSAZQNJ-IBGZPJMESA-N 434.399 4.821 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)c1ccccn1)c1ccc2c(c1)OCCO2 1464961679 YBAXGZYIWLKRSD-LJQANCHMSA-N 430.504 4.755 30 10 IJEE C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1465485801 ZNFBNNZYEKPRSS-AZUAARDMSA-N 445.560 4.719 30 10 IJEE C#Cc1ccc(NC(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c1 1467402798 IOQZMPGEOLRFLA-UHFFFAOYSA-N 431.923 4.691 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2n[nH]c3c(Br)cc(C)cc23)cc1OC 1470668665 WYSOGVHHUQFBHU-VURMDHGXSA-N 442.313 4.859 30 10 IJEE Cn1cc(CNc2nc(C(F)(F)F)c(Br)s2)c(-c2ccc(C#N)cc2)n1 1472754812 BOKHZJFDOVFCEV-UHFFFAOYSA-N 442.264 4.809 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1cccc(OC)c1 1472999471 SEQFCMSFKOCSSG-ROUUACIJSA-N 448.592 4.988 30 10 IJEE C#CCN(Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)[C@H]1CCc2ccccc21 1474387414 OBOXHFSLPVNIQB-DEOSSOPVSA-N 434.580 4.960 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncccc1C 1507516419 KYJBQUXDTXWTIY-RTBURBONSA-N 437.975 4.898 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C 1507555813 FDMITGFBACZEND-QGZVFWFLSA-N 445.405 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC[C@@H](C)N1CCCCC1 1507769474 IAUTWXJNIIWGFF-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@@H]1CC=CCC1 1507777279 DJBRAXCORALKHX-MRXNPFEDSA-N 447.377 4.663 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1Br 1507826400 MTPCPCPZVLBBDR-UHFFFAOYSA-N 446.418 4.847 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](CC)C1 1507837943 IAGHVOADNDNIRN-QGZVFWFLSA-N 437.009 4.532 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1507867010 MUBVLXDYOMIUFT-UHFFFAOYSA-N 447.288 4.623 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1507905649 WYIITYIYJPGQDA-QHCPKHFHSA-N 443.016 4.894 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cscc2C(F)(F)F)CC1 1507905842 ZQHZJJMXOISQNS-OAHLLOKOSA-N 426.508 4.703 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC=C(Br)C1 1507958153 PRDYSGFUMHLPCS-UHFFFAOYSA-N 437.769 4.680 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1507989693 DCGGLPVHIMMCTG-LPHOPBHVSA-N 441.576 4.647 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCCC1 1508015291 QFYKUYSIEOWBMV-UHFFFAOYSA-N 444.421 4.762 30 10 IJEE CC(C)(C)OC1CC(CCn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)C1 1508676373 ADGWQDMOHCLAGX-CBNMVNINSA-N 429.609 4.634 30 10 IJEE N#CC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1521114524 FVVALTOYALHRSV-UHFFFAOYSA-N 447.505 4.803 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc3sc(C(=O)OCC)cc3c2)c(OC)c1 1526281576 WSCMCVGVYKBMGX-UHFFFAOYSA-N 425.506 4.833 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)cc1 1537825346 JLAZQWJYDLHEGT-PMACEKPBSA-N 430.545 4.670 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1538377345 DGULQRUOKFICAZ-GTNSWQLSSA-N 448.338 4.617 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)[C@H](C)CC 1539161385 LJKKQRLMHWVEEZ-MWTRTKDXSA-N 426.561 4.679 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC(C)C)CC1 1539363123 MRDGRKNQIQTVLG-UHFFFAOYSA-N 446.599 4.522 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2F)n1Cc1cscc1C(F)(F)F 1539383041 YKPZNOJENZBDTR-UHFFFAOYSA-N 438.450 4.584 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1539530206 CTKFSYCTZMMHLG-QZTJIDSGSA-N 433.046 4.825 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@H](C)C1 1539540336 LGFZZZGOUCDXST-HYFFOGBASA-N 443.389 4.515 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2oc(CC)nc2C)CC1 1539836465 RQTHRUIIBXNOLR-UHFFFAOYSA-N 427.936 4.671 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[C@@H]2CCOC2)CC1 1539882629 RFRSPOUILXBLQY-MRXNPFEDSA-N 449.368 4.676 30 10 IJEE C=CCC[C@H](C(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1539893458 KWZVALIDYQPEHI-NRFANRHFSA-N 430.589 4.516 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1539902379 GCVAAYWAGMELQN-SFHVURJKSA-N 441.595 4.932 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nnc(CC)s1)C1CC1 1540094568 HMOYOPAJNJDQDG-KRWDZBQOSA-N 438.601 4.652 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)CCC)C1CC1 1540098648 GQTCHTPGNGQABK-OAQYLSRUSA-N 433.394 4.722 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(=C)C 1540133166 CMZNYOCKQKXATD-REWPJTCUSA-N 433.531 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1 1540133520 GXQDEHWWRCECKH-OALUTQOASA-N 435.547 4.875 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)c2ccccn2)C1 1540883849 FXALUAJXHJYBCX-GOTSBHOMSA-N 445.611 4.974 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)s1 1540912736 HTOZJRVXHGWLSD-UHFFFAOYSA-N 438.420 4.653 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 1542726227 QLIZIERVZCJAEI-NRFANRHFSA-N 426.944 4.930 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)OC 1545302423 CISDXOPQVLVSLW-VCOUNFBDSA-N 439.604 4.662 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1546105930 CRRUKOGHYOBVJC-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE C=CCCC(=O)N[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1557700985 HCLVTAWTYFFQSB-CLJLJLNGSA-N 448.588 4.838 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 1558803118 PSKUYOLVVLJQMH-BENRWUELSA-N 444.572 4.521 30 10 IJEE N#Cc1cnc(Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c(Br)c1 1559088600 FOSQDSPFOMQAIU-UHFFFAOYSA-N 447.336 4.981 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnccc2-n2cc(C)cn2)cc1OC 1560425625 SHDWGRCBSBRWBL-UHFFFAOYSA-N 429.318 4.524 30 10 IJEE Cc1ncccc1NC(=O)[C@H](C)NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1562812028 GXERAEBNNDBLNG-INIZCTEOSA-N 431.521 4.562 30 10 IJEE CC(C)(C)[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccc(F)cc1F 1564354688 BHJGBYDWJAIVEQ-OAQYLSRUSA-N 430.474 4.595 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1ccc(Br)cc1C(F)(F)F 1564506721 HXHQSTZFLPNLDE-UHFFFAOYSA-N 425.248 4.813 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 1564667520 ASINXNZDQPOPJX-NRFANRHFSA-N 431.577 4.789 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1564913229 IRKVAKZRXWMZIQ-OAQYLSRUSA-N 441.547 4.837 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 1565277519 RCDXDSKNLBJZJS-HXUWFJFHSA-N 445.523 4.735 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1F 1584733297 NGRKZUQTQOZMOT-PKOBYXMFSA-N 434.939 4.697 30 10 IJEE C#CCSc1ccc(COC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc1 1585106263 OYJJOYQKWKYWPI-UHFFFAOYSA-N 431.492 4.884 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(N(C)C)CCCCC1 1587677322 FXOXJXXEMMRVKV-HXUWFJFHSA-N 425.646 4.601 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CC#N)CC1 1587712136 NIFYGEAWLCQXQU-UHFFFAOYSA-N 444.352 4.780 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1 1587714629 WQCJWUFOFBAFOR-UHFFFAOYSA-N 435.936 4.991 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC(C)(C)C1 1589516346 ZXLQTFAEFHFQHV-PGRDOPGGSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1589558086 JSGPDQWEGVCKFZ-BLIXFSHQSA-N 429.634 4.737 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1csc(Br)c1 1593610886 GWNAKPHCACUOGD-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1593845031 JFHGMKMEXQWZMI-IUODEOHRSA-N 444.885 4.740 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1594241338 NEONILNTNXELDM-JOCHJYFZSA-N 430.040 4.901 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2ccnc2C)CC1 1594437043 IHTGPQZKWKJOQX-UHFFFAOYSA-N 436.629 4.876 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccco1 1594793771 RJLULJCTJQFUJX-KRWDZBQOSA-N 426.586 4.954 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CC(C)(C)N1CCC[C@H](C)C1 1595009461 GWCQBKWNYADDCV-IBGZPJMESA-N 443.661 4.712 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CN(C)C(C)C)CC1 1595334589 AVRMVXDLUGTTNN-SFHVURJKSA-N 427.662 4.874 30 10 IJEE CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 1621767798 CJINSMIVIAVFSS-SDHOMARFSA-N 445.673 4.890 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)C2CCCC2)cc1C(F)(F)F 1621921699 CNNQUTXYHVINAR-UHFFFAOYSA-N 440.462 4.892 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(N2CCCC2=O)c1 1622983418 FTKHCQXPUCEQQS-QGZVFWFLSA-N 441.491 4.755 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1OC 1628865986 FVQCUVPCCPFFBF-LCYFTJDESA-N 434.580 4.741 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccn1Cc1ccccc1Cl 1633592361 SHWCTVBZPUWJDL-SFHVURJKSA-N 432.952 4.773 30 10 IJEE C#CCN(C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCc2ccccc21 1635884455 JYHMSKSSUUTREC-FOIQADDNSA-N 429.347 4.651 30 10 IJEE C#CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)C1CCCCC1 1637580717 BZMIDBGEOVRTEC-RRPNLBNLSA-N 445.607 4.641 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(Cl)c2)nc2sc3c(c2c1=O)CCC3 1643465070 WJEOGOOZTUNDSY-QGZVFWFLSA-N 446.981 4.793 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CCCC3 1643476508 LXYQYINRKKIVSO-DOTOQJQBSA-N 445.654 4.652 30 10 IJEE C#CCN(C)C(=O)c1cc(/C=C\c2cccc(OC)c2)nc2ccc(Br)cc12 1650996405 YEULMMOJALIMLB-NTMALXAHSA-N 435.321 4.882 30 10 IJEE COc1ccccc1C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CCC1 1653973737 BULKQSIOAXFQBE-UHFFFAOYSA-N 428.536 4.582 30 10 IJEE COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cccc(Cl)c1 1654638892 FMSFPVMDNSECEH-AUUYWEPGSA-N 431.989 4.704 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 1657182797 DVKHLYHXPBRJJO-IERDGZPVSA-N 439.369 4.833 30 10 IJEE CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C#N)cc1Cl 1661595828 CEQLEWOFKDJJEZ-UHFFFAOYSA-N 427.751 4.573 30 10 IJEE N#Cc1c(F)cccc1N1CCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 1663953667 FCGYKXRDDIQDFH-UHFFFAOYSA-N 442.254 4.801 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C 1666389194 BCCZQUFAJGNDNQ-FXAWDEMLSA-N 444.576 4.893 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC(c3nc(C)c(C(=O)OCC)s3)CC2)c1 1666773394 MSPPEEYQYGKSIF-UHFFFAOYSA-N 443.569 4.995 30 10 IJEE COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)N1CCCCC1 1666978909 CWEQIMWYGOFCSY-SDHSZQHLSA-N 446.595 4.704 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1)c1ccc(Cl)cc1 1669984520 SCZUOIGVYFBSTK-QGZVFWFLSA-N 439.924 4.675 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 1671101442 FIXMHDCCZMBZAJ-GOSISDBHSA-N 448.832 4.979 30 10 IJEE CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC1(CC#N)CC1)N(C)C 1672296939 GGCUOJMAEJNYEZ-LJQANCHMSA-N 425.404 4.785 30 10 IJEE COc1ncc(NC(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc1C#N 1672970903 FMRXCLLRFIRAPL-HXUWFJFHSA-N 440.475 4.873 30 10 IJEE C=CCCC1(CNC(=O)N2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)CCCC1 1674372775 UUVLJJDGJCQJIB-UHFFFAOYSA-N 449.636 4.761 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CC(Cc4cccc(Br)c4)C3)cc2n1 1675017758 KXXMWEGSXBZPEQ-UHFFFAOYSA-N 425.330 4.691 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 1678057669 GGQATUKGMPDEQJ-QGZVFWFLSA-N 433.346 4.936 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 1681553400 XXNLWHOGNGAJGR-QRWLVFNGSA-N 442.428 4.751 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 1685165849 JBNNSUBRLSMJLB-LJQANCHMSA-N 431.330 4.992 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)C1 1685752541 OQKTXTFLWXOZRM-AZUAARDMSA-N 432.490 4.580 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1C)c1ccc(Br)cc1 1686647884 ZDEDDSSJTFNNFO-KDOFPFPSSA-N 431.330 4.509 30 10 IJEE C=C(CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1686698923 KTVHGCNANYLBKI-STQMWFEESA-N 428.323 4.512 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1686740327 ITSPMQRVHFJUDA-CIAFKFPVSA-N 427.589 4.509 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(C)c(Br)c1)c1ccc(Br)cc1 1686921862 USTRYARREFLPGN-KRWDZBQOSA-N 436.147 4.694 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1oc(CCC)nc1C 1689835021 DSPMOBNZJVXEHL-CVEARBPZSA-N 437.613 4.887 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H]1CCCOC1 1689878529 LPTGWKGWTREXCY-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(CC)C1 1690157664 MEIYBXSEYMMHIF-HXUWFJFHSA-N 433.419 4.700 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC=C(C(C)(C)C)CC1 1690160118 XQFITKDADAOKLT-UHFFFAOYSA-N 446.624 4.884 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCOCCCC 1690196671 SSLKAYJGUPBLBU-LJQANCHMSA-N 437.407 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(CC)C1 1690241201 PPPWWSUNQVDFTC-RFWXGWTQSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccoc1C 1690250996 NURYXJBDKGMDIQ-ZJSXRUAMSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cc(C(C)(C)C)no1 1690267288 ZCZNFFXRIJAIJY-HXUWFJFHSA-N 437.544 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)Oc1cccc(C)c1 1690268754 XJTXEXIJWNDSLZ-OAQYLSRUSA-N 444.583 4.695 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1690316229 ATHGUUHQWYYSCJ-GHTZIAJQSA-N 430.618 4.631 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1690414683 GJTCMCCFESUDSM-GOSISDBHSA-N 431.625 4.574 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnccn1 1690422405 NTSSYXCKIXNIIB-UHFFFAOYSA-N 447.406 4.798 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 1690465264 WESIQLYVDGRAGV-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC=CCO1)C1CC1 1690539813 NKSSHUCHTSBQGL-SFHVURJKSA-N 429.362 4.516 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@H]1CCO[C@@H]1C(=C)C 1690560712 ZPPHGIXPWDMPSW-DNQXCXABSA-N 431.584 4.981 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1CC1(c2ccccc2C)CCOCC1 1690591600 RBJMICJMZRWXBE-UHFFFAOYSA-N 429.568 4.575 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(Oc3cccnc3)c(F)c2)C1 1690686185 KNRGLGWRUIKATH-FQEVSTJZSA-N 437.519 4.558 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@H]1CCCCO1 1705483129 NYIIKSITJWLSRE-HUUCEWRRSA-N 437.407 4.576 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1nc(C)cs1 1705577410 FPEXSVQXKSEZHK-GOSISDBHSA-N 431.609 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nc(C2CC2)cs1 1705712625 AKKRHNAXXJGIIC-UHFFFAOYSA-N 439.585 4.747 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 1705730795 OHLYNZCFJSTQJN-NRFANRHFSA-N 426.605 4.807 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705732060 MEZZJOJEVNJTSE-FGZHOGPDSA-N 438.572 4.924 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1705757710 VNTLBXAQOOXQJM-IRXDYDNUSA-N 439.387 4.618 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cnc(C)s2)CC1 1705785407 HKIXAMCXNKYOBF-UHFFFAOYSA-N 441.626 4.795 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705808961 YKYHATNCINJEHZ-AREMUKBSSA-N 438.616 4.584 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC2(CCCCC2)O1 1705833410 FUMICYSHYBFVOP-OAQYLSRUSA-N 437.588 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCC1CCC(OC)CC1 1705866349 NTWFYPNKONKHNG-IOJLRTSASA-N 430.618 4.631 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]2CCC[C@H]21)C(C)C 1705866815 ANZVQGDCNOWQQP-KEZOAJOQSA-N 441.664 4.987 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)C1 1706327043 HUSYZRJHKMQZJM-YKSBVNFPSA-N 435.597 4.658 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1706934585 CIBBINDOXJJOIQ-FIKGOQFSSA-N 432.494 4.839 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)c(C)o1 1707043730 GRALHRZQDQXEEG-NSYGIPOTSA-N 445.523 4.725 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(OCC2CC2)c1 1722283887 HFILSRDRDHRXTA-LJQANCHMSA-N 443.595 4.933 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@]1(C)C#C 1722320917 OQQSYHHNPPNKEC-JOCHJYFZSA-N 431.367 4.960 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1722331738 RCAKTJSTSFBELF-MRXNPFEDSA-N 438.373 4.583 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722338317 ICPDSRSYBBVRTJ-QZTJIDSGSA-N 432.037 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(F)cc1 1722504687 HIZMACRKIPLYBG-REWPJTCUSA-N 435.547 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCC(F)(F)C1 1722512827 MNQVBYNQTRKIFO-INIZCTEOSA-N 435.519 4.624 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC#N)CCC(C)C 1722522499 SOWRNHVFPXQOCJ-FQEVSTJZSA-N 444.624 4.735 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCCCC2)CC1 1722564393 PECPKMOMYGMMPJ-HXUWFJFHSA-N 427.568 4.590 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722585375 YDFNSFRLZLONKY-DEOSSOPVSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCSC2)C1 1722591135 FNBJEVRKMOZITM-DEOSSOPVSA-N 426.630 4.813 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1)c1ccccc1 1722594823 REUQFLBZLBRYNF-FUPPJEDESA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1722602064 OVFZGBJGYFEGQY-SFHVURJKSA-N 428.577 4.712 30 10 IJEE C=CCCCCn1c(N(C)C[C@@H](c2cccs2)N2CCOCC2)nnc1C(C)(C)C 1722611781 WTRPVJWGPNVLMV-IBGZPJMESA-N 431.650 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1c(C)coc1C 1722632139 JBZJHUVZLJVDSA-UHFFFAOYSA-N 431.334 4.597 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722639368 JDFXGYWAXCNWNW-TZIWHRDSSA-N 426.605 4.730 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC[C@H](OC)C(F)(F)F 1722657999 RLPHHOZCXFQVKP-FQEVSTJZSA-N 445.489 4.809 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1CCC 1722658602 XVBZTBAULOXWTJ-QHCPKHFHSA-N 430.600 4.716 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1722676190 VKBNSASXIMLCJO-VWNXMTODSA-N 443.551 4.626 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccsc1 1722734511 GYIXBJTYJLYMDC-UHFFFAOYSA-N 436.610 4.952 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)N(C)C)C1 1726454069 FFPFAJHWCQPWKG-ROKPMTFOSA-N 434.632 4.810 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)SC 1727142864 CZSCWQIVKCROAM-RTWAWAEBSA-N 439.629 4.886 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(COC)CCCCC1 1740537867 IBRAXEUDMMSWHC-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1740587608 PNEAWNPECWJHKY-ISKFKSNPSA-N 429.568 4.666 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCC1(COC)CCC1 1740677585 XNLBZJYNUFXCGC-UHFFFAOYSA-N 447.558 4.634 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(C)o1 1740761538 XLHBCVSGVOILPY-UZUQRXQVSA-N 442.510 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1740771313 AHDIHOYMAGYMRN-GGAORHGYSA-N 432.616 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1CCCCCC1=O 1740772829 PJOPPOLXOHKFHS-UHFFFAOYSA-N 434.588 4.622 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)C1 1740789139 GPQCINXNGOLLTI-CQSZACIVSA-N 427.401 4.786 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1740837979 BYDJFFPYNQIAST-LEWJYISDSA-N 430.980 4.963 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)o1 1740849712 ULUHPNVVZSXCOW-UHFFFAOYSA-N 444.377 4.858 30 10 IJEE C=CCCOCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(-c2ccc(F)cc2)s1 1740889254 YEXKVQDUOVVQND-UHFFFAOYSA-N 438.532 4.883 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN(C)[C@@H](C)CC 1740894291 OXXFBWOXOHWZCO-AWEZNQCLSA-N 440.817 4.714 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCCC2(CCCC2)C1 1749038960 ZVYXHLRAZQQVIF-UHFFFAOYSA-N 430.568 4.674 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CC1 1749109919 CXOGXGXKMMJBFN-UHFFFAOYSA-N 446.176 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC1CC(F)C1 1749119187 OPZKKMJFZRJICJ-IASJPHAKSA-N 426.580 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 1749135290 DJMUWLGJGABKPG-KNQAVFIVSA-N 448.533 4.823 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1749281399 BCGYGIRJMYLIEY-QGZVFWFLSA-N 427.401 4.838 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC(=O)N1 1749383594 AKCKMKAPXDRJNQ-MRXNPFEDSA-N 436.387 4.713 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC2(CC2)C1 1749448206 VDYFAYYPAQMBQE-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)N1CCCC1 1749507311 YGLZACXQHLQPMY-XPWALMASSA-N 437.632 4.656 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H]2CCC[C@H]21)C(C)C 1749556937 CMZZPHBCHBUMQF-SSGKUCQKSA-N 427.637 4.597 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C 1749558829 YPPXVNMPSASBPM-ACESQOTJSA-N 427.637 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1749586902 ABXXPYFNXIVFKD-LEWJYISDSA-N 445.567 4.850 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCSC2)C1 1749747024 SKRDGXWABXWVJD-HXUWFJFHSA-N 439.025 4.990 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2cc(Br)ccc2F)o1 1751469220 DRHSRYWFOMYZSI-ZDUSSCGKSA-N 446.324 4.587 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCC1(F)CCC1 1760121065 RQWRITHZSBCYAL-GOSISDBHSA-N 432.971 4.992 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@H](OCC)C1CCCC1 1760199501 XAUWGRLIMPPLCR-VWLOTQADSA-N 441.579 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC=C)c1ccccc1 1760226825 ZVTIUPFLBZKHFM-SFHVURJKSA-N 438.373 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1760229116 DPSLOCUUVHDSRI-UHFFFAOYSA-N 430.600 4.687 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@H](C)C1 1760243518 MXJDPSHWDDNSOU-QUCCMNQESA-N 438.572 4.524 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCCC1CCCC1 1760246413 XVUOOPWMJOYQDW-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2CCC[C@H]21 1760302428 CQLSAQJOAGBVTR-IAGOWNOFSA-N 447.377 4.638 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C[C@H]1CCOC1)C1CC1 1760416914 QEPMAMAYEUNCAI-HMXCVIKNSA-N 430.637 4.804 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(CCOC)CC1)C1CC1 1760469556 JMLBNUISSOVXJZ-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@H]1C(C)C)C1CC1 1760471324 SBAVDVPAYYLBEL-SPEDKVCISA-N 428.552 4.773 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCc1nc(C)c(C)s1 1760481496 ARSCUVUFAVDGOM-OAQYLSRUSA-N 448.596 4.510 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760511569 VEBAFFHDEWNSTR-LJQANCHMSA-N 445.995 4.544 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760560978 LTKHWWJPVQJSEY-FQEVSTJZSA-N 443.020 4.864 30 10 IJEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCO[C@@H]1C(C)C 1770398562 CJAQNGMQYIKTPH-NFBKMPQASA-N 437.588 4.535 30 10 IJEE COC[C@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@](C)(C#N)C1 1770747491 AOVXXBJCYTZZAS-CJFMBICVSA-N 439.604 4.702 30 10 IJEE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C)nc2C#N)cc1 1772721859 CQDQKIDGCLRTMM-UHFFFAOYSA-N 426.480 4.942 30 10 IJEE N#Cc1c(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)sc2c1CCC2 1859749369 VUSJUPSHTJSQOE-UHFFFAOYSA-N 449.713 4.883 30 10 IJEE CCOc1ccc(OCC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1 1860461669 LKRCBVJORVHHDL-UHFFFAOYSA-N 449.894 4.880 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC)c(OC)c1 1862452465 CNJXGLKZZUNRFG-HXUWFJFHSA-N 427.884 4.512 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCC4(CC3)OCCO4)[C@@H]2c2cccc(C)c2)cc1 1862475984 YOJRGQZMSUKGBK-HSZRJFAPSA-N 447.531 4.567 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 1862536403 XLJFNBRMPYBOIB-QFIPXVFZSA-N 449.938 4.768 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1OC 1862553042 FYBZTCGXEWWBLD-DEOSSOPVSA-N 447.531 4.713 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2F)c1 1862590968 RYWVCJYEGBPYKK-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Br)c1 1862600605 WWNBVVMMWQUYQR-SGTLLEGYSA-N 430.298 4.532 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862678980 TYCCXSLYFKLSCF-QFIPXVFZSA-N 425.500 4.690 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862694968 WZFLZDSJRQWPEM-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)c1 1862698535 JOMFJVFOVGUAEE-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(Cl)cccc1Cl 1862744726 SVUHPSCHARSAIN-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE COc1cccc(-c2nc(Nc3ccccc3C#N)cc(N3C[C@H](C)OCC3(C)C)n2)c1 1868511255 SIPFRMBAXKXIJK-KRWDZBQOSA-N 429.524 4.771 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H](c1ccc(C)cc1)C(C)C 1868696151 RLWLJPIAOFOVAE-UIOOFZCWSA-N 448.607 4.758 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@H]2C(C)C)nc(-c2cccc(OC)c2)n1 1869320018 VRPMYRMVMKZOCX-RUZDIDTESA-N 444.583 4.814 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 1870109055 HWEGKYHZICYTBV-SFHVURJKSA-N 431.540 4.851 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)cc2C)c(C(C)(C)C)c1 1870145365 XDNJJXIIGYKBAC-UHFFFAOYSA-N 437.931 4.724 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CSc2ccccn2)cc1=O 1870245800 FMUJWEBFTUHLHY-QHCPKHFHSA-N 447.604 4.938 30 10 IJEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(O)cc1 1870350702 RPWQYQFJSUJNRS-UHFFFAOYSA-N 445.563 4.675 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)noc2C)cn1Cc1cccc(C)c1 1870563237 RSQUKOVIJFOHMT-UHFFFAOYSA-N 433.552 4.563 30 10 IJEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871365808 FKHGHXQJXCNUQO-ZSOIEALJSA-N 442.638 4.795 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3C2=O)cc1 1871374857 GVVRWGXDKNXABD-JJFYIABZSA-N 431.400 4.747 30 10 IJEE Cc1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871382233 PQENJYAGWBTFLZ-DZWSDAFQSA-N 428.400 4.533 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c(OC)c1 1871403962 FBBQVGZGOHZXDS-XLFQKYORSA-N 445.471 4.726 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc5c(c4)OCO5)c3C)C2=O)cc1 1871429269 BFFUSBRCUHZBJQ-KSEXSDGBSA-N 443.455 4.666 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871845197 UTTZYOROEMQOGI-QFIPXVFZSA-N 428.554 4.566 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C)S(=O)(=O)CCCC 1871943849 OJXIRYFEEWUAAE-SFHVURJKSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1872007093 DFQXEXWUWOSOHV-QGZVFWFLSA-N 432.561 4.717 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CCCC 1872197916 SMAZTHAEMRVIBK-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 1872319271 BBUSUAREACGCDA-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 1872362633 WRXWYXALGWWJLS-IBGZPJMESA-N 440.487 4.690 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)c1 1872771304 RDJIXVGJLYTEKV-QGZVFWFLSA-N 428.897 4.736 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 1872784246 REXMXYSQPHLZEE-DNXKIMQPSA-N 435.461 4.625 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641279 KHUGSIHXRYNCKP-UHFFFAOYSA-N 427.508 4.804 30 10 IJEE COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2ccccc2C#N)cc1 1873868837 TVGSIIFYNPQSNC-RUZDIDTESA-N 440.503 4.552 30 10 IJEE CCCOc1ccccc1/C=N/n1c(COc2ccc(OCC)cc2)nnc1SC 1874234625 QZGRZWMRVQTWRQ-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCO)n2/N=C/c2c(F)cccc2Cl)c1C 1874256546 HKHDEWATYGGSGV-BHGWPJFGSA-N 448.951 4.541 30 10 IJEE Cn1cccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccc(F)cc1 1874368703 OPVLAQRFCSFFLD-OEAKJJBVSA-N 425.558 4.777 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874399910 FZVUXBYAKVQFLB-HJQVIKLGSA-N 449.363 4.884 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874416498 SFGWHUDERCWWOF-CVKSISIWSA-N 446.507 4.881 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccc2ccccc12 1874430995 AYGJFHBGLHUHNP-VULFUBBASA-N 429.549 4.550 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccco2)c1 1874466085 QOOFSORSJPLBOR-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccccc1C 1874480074 GWHIGFSGOSIFLF-PTFSYIGCSA-N 435.597 4.781 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C1CCC1 1874497567 POPNRUMZPMJXEX-BIKZULFDSA-N 433.581 4.706 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1OC 1874694191 QLRYYXRRZBMGRG-RIYZIHGNSA-N 431.488 4.885 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cnc(C)cn1 1875145669 SKVCLUPDDQQIMK-VQHVLOKHSA-N 432.476 4.616 30 10 IJEE CN(C)CC#C[C@@H]1CCCN1C(=O)c1cc2ccccc2c2cc(Br)ccc12 1891573969 ACNVKJQIBDTTSZ-LJQANCHMSA-N 435.365 4.925 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC2 1912158126 VPTGKBCEPZKAMR-TVRCVXMWSA-N 434.541 4.654 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NC 2041171030 FJOSGAWCXNBCCF-DLBZAZTESA-N 429.786 4.540 30 10 IJEE N#Cc1cc(N[C@@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)ccc1Br 2156289486 UFTSEXGUHVAYRQ-RBBKRZOGSA-N 426.358 4.556 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCCN(Cc2ccccc2)CC1 2160575478 HNFABBRYQPZCRG-JOCHJYFZSA-N 427.386 4.605 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1Nc1cc(Br)ccc1C#N 2162303991 XJGRDCJKQOSAFP-MOPGFXCFSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1C#N)C1CCCC1 2181054948 CTLKEZOHBPOKMD-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Br 2181144980 ACFADNNLBHTDHT-MRXNPFEDSA-N 438.366 4.979 30 10 IJEE C[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2C#N)[C@H](C)CCN1C(=O)OC(C)(C)C 2200687799 SJRNSGGMFVZUGS-IIYDPXPESA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2ccccc2Br)C2(CCCC2)C1 2235718109 COSWQJHZWZTDBU-QGZVFWFLSA-N 432.358 4.797 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2235725224 ISUDWOYEOJFFKO-JXFKEZNVSA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2235725229 ISUDWOYEOJFFKO-OXQOHEQNSA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1ccc(C)c(I)c1 2235728430 RRDLVYURMXAENB-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@@H](N)C#Cc3ccccc3Br)c21 2235730422 ORYAYCKSROGFOV-IBGZPJMESA-N 427.342 4.798 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1 2235736519 YSCHQLOXVGBSPY-HXUWFJFHSA-N 429.358 4.786 30 10 IJEE Cc1sc(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c(Br)c1C 2237679739 GMEPSNSWLYIHBP-BFUOFWGJSA-N 440.212 4.826 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2247979704 PFXJGVKCPVXLKR-KKSFZXQISA-N 436.557 4.709 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C(F)(F)CN(C)C(=O)OC(C)(C)C 2295305091 DOWFCINYVIOPRX-QGZVFWFLSA-N 445.348 4.671 30 10 IJEE CCOc1ccc(C=C2SC(=Nc3ccc(Br)cc3)NC2=O)cc1OC 2296082424 CLWAROAWVNPEJN-UHFFFAOYSA-N 433.327 4.748 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 2296218277 CINNMNRIQQHYHQ-QRVBRYPASA-N 439.369 4.516 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2298484725 NKEJKCKJJKBVBB-RDNQGFKOSA-N 447.498 4.761 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2305401653 YNWYKXFYKXEIPG-NIJXNBFTSA-N 428.573 4.555 30 10 IJEE CN(C)c1ccc(C=NN=C2SC(=Cc3ccccc3)C(=O)N2Cc2ccco2)cc1 2314840772 BJUMHVWILOJOPT-UHFFFAOYSA-N 430.533 4.852 30 10 IJEE C[C@@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2317355285 VAJKFZQUUMMJPP-VSOYFRJCSA-N 432.370 4.751 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)C1 2321283938 AIOFEMBDZGOJSR-CYFREDJKSA-N 445.560 4.655 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(C[C@@H]1CCCO1)CO2 2322307740 WHQVNABBWGGCQM-HNNXBMFYSA-N 429.875 4.735 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccccc1)CO2 2322312453 YYXVAOBMRNGXSX-UHFFFAOYSA-N 428.444 4.872 30 10 IJEE Cc1cc(O)c(CN2CCC(CO)CC2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324178642 NUULHUDQYHTTPC-UHFFFAOYSA-N 448.346 4.828 30 10 IJEE CCc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745645 WZFKDNGUKGDWNB-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE COc1c(Cl)cc(C(=O)C=Cc2cccc(OC(=O)c3cnccn3)c2)cc1Cl 2325767105 PWYJEONHYOGUPB-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1c[nH]c2ccccc12 2326252036 MXKHSEURPINGOD-UHFFFAOYSA-N 435.553 4.774 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2326274569 NTELUTXRAMOBQM-XLGIIRLISA-N 442.600 4.945 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(N(C)C)cc1 2328744987 JKAPJJCQLQGOID-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccs1 2330136732 HEIFBZGHDJULEO-MRXNPFEDSA-N 428.583 4.665 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(F)c1 2330284639 BRPAWYJZGCAUPG-UHFFFAOYSA-N 432.565 4.714 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cnccn1 2330700779 VCIGCAVRKLSFRO-UHFFFAOYSA-N 428.488 4.869 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1)c1ccccc1 2330701170 ACNGZMPFPHDUDA-IBGZPJMESA-N 441.560 4.797 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccccc1C 2330896079 KDQXAVBRTJKVDY-OAQYLSRUSA-N 449.580 4.613 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 2330967860 GTVYVTPCWUOFOO-JOCHJYFZSA-N 434.565 4.911 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccn2)c1 2331042436 ANUPZZIHYZQXQG-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE Cc1ccc(COc2ccc(C=Nn3c(CC(C)C)nnc3SCCCO)cc2)cc1 2331468402 HRBIDTKSJYAASK-UHFFFAOYSA-N 438.597 4.721 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2F)c(C)c1 2331545220 HAEUWISXDVRAOS-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] 2331726547 YDSFKGDLLPFFLS-UHFFFAOYSA-N 443.452 4.612 30 10 IJEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1[N+](=O)[O-] 2331735282 DJKSRCMBWPCORW-UHFFFAOYSA-N 427.453 4.994 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)n1 2337021194 AEYJGJVEOHKUOM-JTHBVZDNSA-N 436.405 4.509 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339593184 BNSWEKXLCPXEBU-DEOSSOPVSA-N 444.381 4.798 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](CC)CN1C(=O)OC(C)(C)C 2360197717 SPOGTJUTHYTUQD-VDGAXYAQSA-N 435.406 4.814 30 10 IJEE C=CCN1C(=O)[C@H](C)Oc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081288 BBGGUTRPZKUYJO-STQMWFEESA-N 435.307 4.699 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C 12462930 PWKHTSWLPRUZPA-JEBJBBSMSA-N 431.945 4.556 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 14608539 HHHLVLMCXZMLSB-RTNVVBJGSA-N 443.934 4.874 30 10 IJEE COc1ccc(Cc2nc(CSc3nc(C(C)(OC)OC)ccc3C#N)cs2)cc1 23433400 DEHGHDDCUFTKRV-UHFFFAOYSA-N 441.578 4.767 30 10 IJEE O=[N+]([O-])c1cccc(-c2csc(/N=C(\O)CN3CC=C(c4ccc(O)cc4)CC3)n2)c1 25680516 LGXXXMUTODQJAO-UHFFFAOYSA-N 436.493 4.801 30 10 IJEE CCCCOc1ccc(N(C(C)=O)C2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 27572193 FETITFOWBKBGIU-UHFFFAOYSA-N 446.547 4.995 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(C(C)(C)C)cc1 35566821 OMSABKOROAXCOY-LJQANCHMSA-N 442.581 4.672 30 10 IJEE Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1cnc(N)c(Cl)c1 38226430 MBWXQGCBVPJPQZ-UHFFFAOYSA-N 447.926 4.931 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2)n1)Nc1ccccc1Oc1ccccc1 58992501 QEICDANBGPJDSZ-BUVRLJJBSA-N 444.520 4.774 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C 59047806 HDSPEBOHQHMNTF-UHFFFAOYSA-N 426.973 4.942 30 10 IJEE O=C(NCC#Cc1ccc(N2CCCCC2=O)cc1)NC(c1ccccc1)c1ccccc1 96352575 WVGKYFFNLCQNMT-UHFFFAOYSA-N 437.543 4.644 30 10 IJEE CCCCCCCCCOc1c(OC)cc(CN2CCN(CCC#N)CC2)cc1OC 100156358 LZVYYMHCSYQDAQ-UHFFFAOYSA-N 431.621 4.864 30 10 IJEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)cc1 103226690 MDJWOBLRNRCBCW-SADKCHQCSA-N 432.407 4.669 30 10 IJEE COC1=CC(Br)=C/C(=C/Nc2ccc(NC(=O)c3cccc(C)c3)cc2)C1=O 136008082 XXAXIEGWGGGHIB-SSZFMOIBSA-N 439.309 4.935 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)c1 170095688 MTJFTKBJFAUZSC-QFIPXVFZSA-N 442.427 4.767 30 10 IJEE COc1ccc(Cl)cc1N1CC(=O)C(c2nc(-c3ccc(C)c(C)c3)cs2)=C1N 170180360 MTVZETZDMILADP-UHFFFAOYSA-N 425.941 4.806 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccnc1 170189190 JKDHWGOVIRLRCV-QFIPXVFZSA-N 428.488 4.798 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)cc1C 170190481 GDWYCDMAYVVWCN-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170230039 QORIXWDZMOJUJU-KXBFYZLASA-N 432.303 4.751 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)c(OC)c1 170251580 CXGJUJLTOZOOCN-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CC[C@H](C#N)Oc1cc(CNc2ncnc3ccc(Br)cc23)ccc1OC 301262869 LSTYNJVGGYLUHV-OAHLLOKOSA-N 427.302 4.694 30 10 IJEE CN(C)c1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)c2c[nH]c3ccccc23)cc1 302738656 QGEXKPVZAABEMC-IBGZPJMESA-N 426.480 4.653 30 10 IJEE CC1(C)OB(c2csc(CNC(=O)c3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 404932430 FLSSKMYEQJZHSA-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CCCc1c(NC(=O)N[C@@H](CC(=O)OCC)c2ccccc2)cnn1-c1cccc(C#N)c1 439666585 IALSYJSUSHQCNU-NRFANRHFSA-N 445.523 4.512 30 10 IJEE Cc1nc(-c2ccccc2)sc1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446545564 DPEVPHXZKGSSIU-UHFFFAOYSA-N 447.564 4.575 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@@H](C)C1 460934084 ADIMZQCETOOERR-INIZCTEOSA-N 439.387 4.645 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 460945668 WMBYKAFDNGAETO-SFHVURJKSA-N 438.528 4.790 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 476120083 JTDDYZCNFUSXHU-IBGZPJMESA-N 444.572 4.717 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 508858237 QONRWUCWYOIRJZ-PMACEKPBSA-N 435.597 4.816 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 521390774 FEKXTSLZPHSNPE-UHFFFAOYSA-N 448.498 4.659 30 10 IJEE CC(=O)Oc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489319 QRSUHCMKMXBXHJ-HSZRJFAPSA-N 428.419 4.680 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccc2OC)c(OC)c1 526519690 DLLYWDNRVKJUSI-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COc1cc(Br)cc(/C=N\n2cnnc2SCc2cc(C)ccc2C)c1O 526818437 JEIOFHDSZRSBTC-AFPJDJCSSA-N 447.358 4.546 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2/N=C\c2ccc(Cl)c(Cl)c2)o1 526831447 ONUQBEKPMUZABS-UYOCIXKTSA-N 439.324 4.918 30 10 IJEE COc1ccccc1CN(CCO)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 536218225 BEIGWLDZXOMIOE-UHFFFAOYSA-N 436.895 4.647 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(C)cc1 586257396 IAIKZVXOZVPZKF-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE CC(C)(C)C[C@@H]1CS/C(=N/CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)N1 706684088 YSISPUDGUANGKI-HSZRJFAPSA-N 437.653 4.955 30 10 IJEE C#CCN(C[C@H](NCCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 721192089 LNJVFVTVKMZBLW-INIZCTEOSA-N 427.358 4.808 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 741569141 YGYHANRAYCUZLC-UGKGYDQZSA-N 430.470 4.530 30 10 IJEE COc1ccc(/C=C(/C)C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1F 755051190 VNCOTYSFUKUKHL-HEUOVEHFSA-N 442.512 4.671 30 10 IJEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccccc1-c1ccc(Cl)cc1Cl 760486381 KOVGDVXJQNAFMT-UHFFFAOYSA-N 432.332 4.792 30 10 IJEE N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cc(Oc2cccc(Br)c2)ccn1 762066632 AGIASZYUDNXMHQ-SFHVURJKSA-N 436.265 4.598 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)NCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 762445520 QJLLCANZVVGHQT-UHFFFAOYSA-O 426.565 4.726 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)CCCN1C(=O)OC(C)(C)C 790650531 HMYZHFLDIPPMNC-VWLOTQADSA-N 443.588 4.728 30 10 IJEE C=CC[C@@]1(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)CCCN1C(=O)OC(C)(C)C 791714680 ANKZOQJPGAUJCX-MWTRTKDXSA-N 427.501 4.687 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@@H]2C[C@H]2c2ccc3ccccc3c2)C1=O 797818191 QTPPWTADNUMVPA-ZCNNSNEGSA-N 435.574 4.525 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 802585368 ANZUEZAFWXNSLH-PMACEKPBSA-N 429.609 4.738 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccc(Cl)cc1 810472261 HMUOLTVJGBWAST-IBGZPJMESA-N 447.853 4.717 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)SC1=Nc1ccc(OC)c(Cl)c1 1084216805 KLGIQQPGKWCJCS-GOSISDBHSA-N 431.945 4.637 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 1124535956 YPBQAFWWWHGZAW-UHFFFAOYSA-N 434.444 4.892 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(Br)c3nccn3c2)c1 1125778997 CDMDYWRSHIZTNR-UHFFFAOYSA-N 430.305 4.925 30 10 IJEE O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(C(F)(F)F)ccc1F 1126219222 BNWNBIDSIYYYCM-GFCCVEGCSA-N 436.327 4.752 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CCCN1C(=O)OC(C)(C)C 1126498681 WNHPHEICLAQUSY-XLGIIRLISA-N 442.600 4.925 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccccc1COC1CCOCC1 1129702485 GZRFVENOTGOSRZ-UHFFFAOYSA-N 446.341 4.962 30 10 IJEE C#C[C@H](NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 1129731663 YBSBMZPEIORRBO-CJNGLKHVSA-N 428.355 4.610 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)[C@H](CC(C)C)c3ccc(Cl)cc3)c2C#N)C1 1131605500 BVCNDBURTJPHPI-GOSISDBHSA-N 429.973 4.946 30 10 IJEE C#Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)cc1 1134713296 UREYSTVBSMVWNK-GOSISDBHSA-N 429.314 4.635 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccccc1 1140598459 SLBQWWHMPWNMSW-YIXXDRMTSA-N 445.563 4.668 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)nc2cc(Cl)ccc2c1=O 1164459205 UEWYRNBCUOKFAJ-GQIGUUNPSA-N 448.032 4.857 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 1189245504 FMUMSEQHMRGEIP-HNNXBMFYSA-N 440.340 4.688 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)CC1 1196433138 DKJHBIVIBCCDQF-UHFFFAOYSA-N 429.996 4.985 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)cc1 1208950769 ZCPTUYSYASNXSJ-UHFFFAOYSA-N 428.529 4.853 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)c1ccncc1 1222021637 MGLMYFFHBUFLSL-SESVDKBCSA-N 444.373 4.617 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCOC2(CCC2)C1 1228691451 RWDPTLFDVUYVHP-OAHLLOKOSA-N 425.342 4.635 30 10 IJEE C#CCN(C(=O)NCCc1sccc1C)[C@@H]1CCOc2ccc(Br)cc21 1230869017 DDLNUWFLAGCELI-QGZVFWFLSA-N 433.371 4.530 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CCCC(C)(C)C 1286461721 VZKUOHNXRYLNGU-UNMCSNQZSA-N 442.579 4.607 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1286498337 FPCUDBJQQFPFOT-QGZVFWFLSA-N 442.972 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1ccccc1 1286516228 YQKWUZQTNKEEFR-OPAMFIHVSA-N 438.373 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1286522932 QJSKVNWHFDFNRA-WNCULLNHSA-N 449.643 4.705 30 10 IJEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1286625454 LQGDCSBNTDQXJL-UHFFFAOYSA-N 429.927 4.715 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@H](C)N2CCCCC2)CC1 1286637728 LRQRPMSGNYXUDO-LEWJYISDSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCC=CO2)CC1 1286654986 MSXFHHVMFRXDSF-OAQYLSRUSA-N 438.572 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286666870 GNGVOODMGRCQFQ-UHFFFAOYSA-N 437.632 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@@H]1C 1286668309 REHGJTDOVXJINI-ZDUSSCGKSA-N 425.396 4.597 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1286704209 MHFSYURKMRYSKF-FQEVSTJZSA-N 429.996 4.541 30 10 IJEE C=CCCCn1c(N2CCc3c(F)cc(F)cc3[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286706003 LIAJFHAKRHUFFD-OSPHWJPCSA-N 446.542 4.687 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1287234707 GNKMXTINVLYUQY-VWNXMTODSA-N 434.632 4.810 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1291639186 MVFNSHRGMZSQIP-RUZDIDTESA-N 426.532 4.625 30 10 IJEE C=C[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 1294989418 UJTSMQSNHIVZAB-XCLFUZPHSA-N 445.350 4.898 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1300348104 JFAXOPSRMLJUIO-DLBZAZTESA-N 434.415 4.974 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC(C)(C)CN1CCCC1 1300644218 YPBPYIPODAXUOG-HXUWFJFHSA-N 425.596 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1Cl 1300880727 KJLIXJXOYDYLLN-NQIIRXRSSA-N 425.964 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCSC1(C)C 1300925604 YHYAWRRWWNYJHH-SFHVURJKSA-N 430.618 4.800 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCCCN2CCCCC2)CC1 1301091873 PBKIAXZUAKWHDM-UHFFFAOYSA-N 437.632 4.978 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1301198710 PXRDOHWFGKQIPT-UHFFFAOYSA-N 444.008 4.500 30 10 IJEE C=CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(COC(C)(C)C)c1)C1CC1 1301330234 VILGPHHQEIPOSP-UHFFFAOYSA-N 431.584 4.782 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCCc1nc2c(s1)CCCC2 1305438219 FHEQTMJVYTWSCH-KRWDZBQOSA-N 426.634 4.890 30 10 IJEE C=CCn1c(SC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccncc1 1307262857 WSIHIFVLLBJDCJ-KRWDZBQOSA-N 429.590 4.655 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)Cc1ccc(F)cc1Br)c1ccc(F)c(F)c1 1309418774 UBAHJFKBJBDJEQ-KRWDZBQOSA-N 434.277 4.603 30 10 IJEE CO[C@@](C)(CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1 1312719031 HKDIAZQWEWBHKG-SANMLTNESA-N 431.511 4.971 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 1324816578 ZMIIDPKNGCRRSJ-KRWDZBQOSA-N 443.466 4.539 30 10 IJEE C=CCC1(C(=O)Oc2ccc3c(-c4ccc([N+](=O)[O-])cc4)cc(=O)oc3c2)CCOCC1 1350754596 KIUWMXDUJXGRMF-UHFFFAOYSA-N 435.432 4.647 30 10 IJEE C=CCN(C(=O)c1cncc2nc(C(F)(F)F)n(C)c12)c1nc(-c2ccccc2)cs1 1351451696 WFEVSFGVNAQOED-UHFFFAOYSA-N 443.454 4.943 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cn(-c2cccnc2)nn1)c1ccc(C)c(C)c1 1353405180 SQDRNSZEMRDIIS-UHFFFAOYSA-N 439.519 4.691 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccc2cccc(Br)c2n1 1356328040 CFFKJQKFWZBOMZ-UHFFFAOYSA-N 431.087 4.884 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(CCCC)nc1C 1358879197 MMLJZMKLKXJBTQ-OAHLLOKOSA-N 428.943 4.549 30 10 IJEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1358945901 ZBLXTSBPOHKTHB-UHFFFAOYSA-N 432.597 4.503 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCO[C@H]1C1CC1 1359004396 VBXNSPDLFCHSRS-SIKLNZKXSA-N 433.383 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1359072869 TWBGPXGDGWFYMZ-NFQMXDRXSA-N 447.627 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)s1 1359116193 BHIIESCOOIZHOD-HDICACEKSA-N 445.633 4.869 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(F)cccc2SC)CC1 1359180712 PCKXJGRCIPZYDO-UHFFFAOYSA-N 443.617 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1359189926 YOMNRDNPCQTPQP-HXUWFJFHSA-N 437.632 4.958 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCC(C(F)(F)F)CC1 1359196659 ONFOITFVXACXER-DAWZGUTISA-N 441.542 4.781 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCCO1 1359264858 RMGNDQGNPJAUHT-OAQYLSRUSA-N 438.597 4.989 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CC(F)(F)CO1 1359268524 STWDHDBHICBQBD-NVXWUHKLSA-N 434.556 4.734 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1359342014 MULQPRJZYNOPQF-QUCCMNQESA-N 432.590 4.520 30 10 IJEE CC(C)COc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1360053701 DFEKYQOTHMPMBZ-QHCPKHFHSA-N 437.588 4.733 30 10 IJEE CC1CCN(c2cccc(NC(=O)COc3cccc(Br)c3C#N)c2)CC1 1435239433 BRCGJQHWKZAUIH-UHFFFAOYSA-N 428.330 4.575 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)s1 1437896918 NVQBGKZYOYEQKQ-FHLIZLRMSA-N 425.406 4.947 30 10 IJEE CC1(C)CCCN(C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)[C@@H]1C#N 1449062174 GHZFIUKAONYUBU-OAQYLSRUSA-N 436.943 4.809 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 1455302510 LVFLBLVLZQETOU-SFHVURJKSA-N 432.952 4.976 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1456034224 HLMXTWNUQHAWOZ-GCJKJVERSA-N 426.919 4.812 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c1C#N 1460567551 FKKCJGRJCXBNSZ-JTSKRJEESA-N 443.569 4.586 30 10 IJEE C#CCN(C(=O)c1cc(I)ccc1C)[C@@H]1CCCc2ccccc21 1463009971 SRFMUEYLWGTBIF-HXUWFJFHSA-N 429.301 4.753 30 10 IJEE C=C(CCC(=O)OC)C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1464712035 YCPVAQHUHJXLFT-UHFFFAOYSA-N 443.368 4.902 30 10 IJEE O=C(c1cc2c(C(F)(F)F)cc(O)nc2o1)N(Cc1ccc(F)cc1)CC(F)(F)F 1465251129 DPJNGBMFYJORRY-UHFFFAOYSA-N 436.283 4.896 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 1468147895 OPTOBZBJGOSLNC-HJPURHCSSA-N 433.458 4.952 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 1468476999 BDDAFAWCGDIVMF-GOSISDBHSA-N 445.357 4.871 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 1468480017 WLLSLGKJWGAFCB-LJQANCHMSA-N 425.529 4.734 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)Oc1ccccc1Br 1469199142 GLKPMPHUMHIFFX-MRXNPFEDSA-N 433.346 4.623 30 10 IJEE C[C@@H](CN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCCC1 1473705685 DZRYLKMZVPHROZ-PZJWPPBQSA-N 440.632 4.504 30 10 IJEE CC[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)[C@H](CC)CN1C(=O)OCc1ccccc1 1476609957 BGRAEHHLJJWMEB-PKTZIBPZSA-N 434.540 4.796 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C1CC1 1507679864 SDEPMEDRKJIDFF-RTBURBONSA-N 444.023 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](OCC)C1 1507803803 HBTYZUBCNWHTCV-YCAMKHIRSA-N 438.616 4.807 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1507951759 WJQMMGXYPMUDEQ-UHFFFAOYSA-N 437.613 4.956 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1CC(F)(F)Br 1507996898 LWLYWIYEUWVIHX-UHFFFAOYSA-N 443.336 4.666 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CSCCS1 1507998429 GNHHGZJSTDYOCR-FQEVSTJZSA-N 441.670 4.780 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CCN(C(C)=O)CC1 1508011633 JANGEBYXKISFEF-UHFFFAOYSA-N 435.616 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@H](C)N1CCc2ccccc2C1 1508019117 BQQKOAYITFDCHW-FQEVSTJZSA-N 433.625 4.556 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)c1ccc(C)cc1 1508073426 NBUJLLMIRWICDV-QGZVFWFLSA-N 435.597 4.510 30 10 IJEE CC[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2cccc(Cl)c2O1 1515425687 GXYMNTQYYOZHTM-KRWDZBQOSA-N 427.907 4.771 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC[C@H](C)C2)cc1 1516302217 HFMFWMDXXRVJPF-YDLHNXBPSA-N 441.551 4.695 30 10 IJEE CCN(C(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1ccc(C#N)c(Cl)c1 1518406373 FLMOGOYUEKIYNT-UHFFFAOYSA-N 443.732 4.886 30 10 IJEE C[C@H](OC(=O)COc1ccc(C#N)c(Br)c1)c1cccc(Br)c1 1521413786 FSRIFLPEZULXIS-NSHDSACASA-N 439.103 4.766 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1523244591 HSAPGZQYUVLDIR-IFMALSPDSA-N 445.600 4.906 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O 1524983748 XSSDPCILSWHBGE-FQEVSTJZSA-N 443.341 4.633 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(Cl)cc1 1525037786 DCLCESGWQRVQCW-FQEVSTJZSA-N 449.293 4.898 30 10 IJEE C=CCN(C(=O)c1cc(Br)c(C)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1529015486 WTELHEWBTDXLKK-KRWDZBQOSA-N 436.371 4.622 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 1529041380 BXEBPSQABNGCSV-UHFFFAOYSA-N 445.500 4.670 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C 1529485573 KNSJMBNBIAPANB-CQSZACIVSA-N 443.357 4.748 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 1529563037 HHDSYVVMKPQMGY-XMMPIXPASA-N 434.561 4.806 30 10 IJEE Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)nn1-c1cccc(C(F)(F)F)c1 1529750010 FZJNRICXXLWQBU-UHFFFAOYSA-N 436.340 4.925 30 10 IJEE Cc1cc2c(cc1Br)N(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C[C@@H](C)O2 1532132388 ANBCCQMQZBTAPF-CQSZACIVSA-N 429.314 4.601 30 10 IJEE C#CCN(C(=O)c1nn(CCCCC)c(=O)c2ccccc12)[C@H]1CCCc2ccccc21 1536279835 QTNTVNQHGZMYBQ-DEOSSOPVSA-N 427.548 4.740 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1539112334 MOZUDCLHDDLFJK-LJQANCHMSA-N 442.336 4.663 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(OC)C1CC1 1539336973 IEJSNFGTOIMYTO-HSZRJFAPSA-N 443.016 4.502 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1539695078 ZRQUKLXBNBCTOI-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1540006555 DVNXXAQBXYGLEI-JTBPQFFMSA-N 443.642 4.535 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1C 1540020500 KFDSILYXFAHAEL-UHFFFAOYSA-N 444.377 4.573 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](C)C1 1540029162 YCESQNLEVHKBQA-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1nc(C)cs1)C1CC1 1540094243 DVIRPMOCGHTMSN-LBPRGKRZSA-N 447.406 4.759 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)c1ccsc1)C1CC1 1540114331 LDXRSRGVBYZUOF-XMMPIXPASA-N 438.597 4.598 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncnn1C(C)(C)C 1540158779 QJEACAOBINQPKC-UHFFFAOYSA-N 446.386 4.825 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCN(CC)CC2CC2)CC1 1540861348 NBMDMLXVMGIGCH-DHIUTWEWSA-N 443.680 4.721 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1540913206 KJFDERXYXYZNFN-QFIPXVFZSA-N 435.597 4.918 30 10 IJEE C=CC1(CC(=O)Nc2cc(F)c(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1556525531 VSCCOGLFTQJYRN-UHFFFAOYSA-N 447.732 4.993 30 10 IJEE CCN(CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cccc(Br)c1 1559501946 AWPCUBKDWDZGFW-UHFFFAOYSA-N 428.374 4.835 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cccc(F)c3[C@@H]2C)n(-c2ccc(F)cc2)c1C 1559557492 AIWPRLXULNQAFK-KRWDZBQOSA-N 434.490 4.802 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2CCCC2=O)c(Cl)c1 1560279497 BQPZYRLPGCKTAS-UHFFFAOYSA-N 433.733 4.853 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2ccc(Cl)c(Br)c2)CC1 1562472430 CLABGTDMMKMZJA-UHFFFAOYSA-N 433.737 4.765 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccc(F)cc1 1562475150 WZODHEALDAZBJI-HSZRJFAPSA-N 425.467 4.629 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1564195986 OKFXNJSGRCBAOE-GGAORHGYSA-N 426.582 4.628 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)NCc1cc(Cl)c(I)cc1OC 1564658279 SPHHPQIIJGODAP-CYBMUJFWSA-N 448.732 4.593 30 10 IJEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@@H]1CCCc2ccccc21 1564667530 AUTKFFSQUDSQSJ-XZOQPEGZSA-N 439.600 4.792 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)c1 1569587656 APCCMOMZVKMLNA-NRFANRHFSA-N 431.557 4.887 30 10 IJEE CC[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(Br)cc1 1584792323 HQPKHWMEMFGQRQ-FQEVSTJZSA-N 426.358 4.553 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 1586139610 GTWKYIMEVGYTMW-NMMYMHLASA-N 434.580 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCCN1C1CC1 1587600189 VJHGZAVFXWVPNO-ZJSXRUAMSA-N 449.643 4.845 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCCS1 1588180535 HKNHIANEGAWCLI-FDDCHVKYSA-N 443.016 4.820 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccco1 1588198025 COTQONMWYBJQBA-UHFFFAOYSA-N 430.508 4.917 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(Cl)cc2C1 1589027531 OLONCNDZEODPPZ-UHFFFAOYSA-N 444.391 4.576 30 10 IJEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1593690291 JWLQWIVPTAKQIR-ZIAGYGMSSA-N 427.496 4.565 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1594492074 RYTXUAFMOHJTLM-UWJYYQICSA-N 444.542 4.652 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]2CCC[C@H]21 1594793024 DSLNXDYQTAWUNF-YLJYHZDGSA-N 430.980 4.969 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H](OC)C(F)(F)F 1594866629 GBPDAHAQBVVIGL-FQEVSTJZSA-N 447.505 4.942 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc(Oc2cccnc2)c(F)c1 1595266381 FABMMBJZGVJHMZ-UHFFFAOYSA-N 439.535 4.589 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1595330504 VVERSMNUEXLKEY-HNNXBMFYSA-N 444.377 4.545 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCC[C@H](COC)C1 1595427953 ARZUAIAXGPWZBV-IBGZPJMESA-N 432.996 4.690 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC[C@H](C)C2)C1 1595707350 VRKBMUAWCQTMBM-RCCFBDPRSA-N 445.405 4.925 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCCC(C)C)C1 1595707624 YRKXLZBTIYFJFS-KRWDZBQOSA-N 433.394 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC2CCCC2)C1 1595755289 VCHPKYHNOJIZEI-YPAWHYETSA-N 430.637 4.948 30 10 IJEE CC(C)(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCN1CCCCC1 1597211729 BGHCEAKTQUBSMX-UHFFFAOYSA-N 434.632 4.783 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cccc(Br)c2C)CCCN1C(=O)OC(C)(C)C 1611284248 CNHFTCUDIFFDTP-NRFANRHFSA-N 437.378 4.720 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H](C)c1nccs1 1613295102 AUYCZQHMJOQPBM-RBUKOAKNSA-N 449.628 4.640 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H](N(C)C)CC3)c2C#N)C1 1617197819 DLHFOFCUOQHFDM-QZTJIDSGSA-N 430.662 4.515 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(C)n(-c2ccccc2Br)n1)c1ccccc1 1618597962 RRJIFQQDEDVFJJ-MHZLTWQESA-N 444.354 4.797 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3ccccc3)c3cccc(F)c3)n[nH]2)c1C 1622230750 MSFMJCREJRPVAU-DEOSSOPVSA-N 429.499 4.735 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H]2CSCc3ccc(Br)cc32)cc1 1622329629 JEYDMKKSPGTZQO-IBGZPJMESA-N 438.412 4.834 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(Cl)cc3Br)CC2)c1 1623215214 AEURQOYWWIHWGJ-UHFFFAOYSA-N 447.764 4.760 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(C)n(-c4ccccc4Br)n3)cc2n1 1626675991 MQOGFZDFMVUZPJ-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE CN1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 1627066976 HUYJYONPAMJFJF-XMMPIXPASA-N 441.600 4.849 30 10 IJEE C#CCN(CC1CC1)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1630793675 NZIBPMNODRYGAW-SANMLTNESA-N 444.575 4.812 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 1631796298 NMHRUHFOBHJOEK-UHFFFAOYSA-N 426.904 4.652 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1F 1636571383 TUPVHTOCIZMYKE-GOSISDBHSA-N 440.733 4.992 30 10 IJEE CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(CC#N)c3)c2)cc1 1636827238 FKROOLPRXYFBPP-UHFFFAOYSA-N 449.532 4.513 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(C(=O)OC)c3cc[nH]c3c2)s1 1641866838 CLVAYUIOFWITQM-UHFFFAOYSA-N 435.958 4.745 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)n(-c2ccc(F)cc2)c1C 1645250910 FNOIGKRMEBYDFW-BBRMVZONSA-N 436.453 4.706 30 10 IJEE C=CCSc1ccccc1NC(=O)COc1cccc(I)c1 1652566457 SHBAPIDOUZXOQC-UHFFFAOYSA-N 425.291 4.587 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(F)c(F)c1 1653342990 KBYMMKVOWSFHEM-RUZDIDTESA-N 449.501 4.740 30 10 IJEE C=CCC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1 1654686092 ARBNIQDCPRVHLC-VXKWHMMOSA-N 447.000 4.572 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1)c1ccc(F)cc1 1658204159 GFOUBRAIBNDTBB-DEOSSOPVSA-N 426.447 4.508 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1C)c1ccc(Cl)cc1 1663717047 CHRIWOCTPJFBLG-OAHLLOKOSA-N 433.154 4.717 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(COc3cc(C)ccc3C(C)C)cc2)C1=O 1669230538 MUSCXVRMMKTYSU-QHCPKHFHSA-N 435.568 4.948 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1670779283 ADZBBVPYBQRTDP-MOPGFXCFSA-N 431.458 4.513 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1ccc(C(F)(F)F)cc1 1670826264 BLHJYNUGCIUPIZ-LJQANCHMSA-N 436.453 4.779 30 10 IJEE Cc1ccc(CN(CC(C)C)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 1671576194 FOOSQDGVNNXKEH-DEOSSOPVSA-N 432.568 4.538 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1672314253 WORYQBQBFZDXLB-OYRHEFFESA-N 425.554 4.819 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H]2CSCc3ccc(Br)cc32)cc1 1672604146 CUHLOKSDPDANFT-LJQANCHMSA-N 433.371 4.801 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCc1cc(OC)ccc1OC 1672708182 GRVWBJWPCSTUFK-UHFFFAOYSA-N 449.345 4.785 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C 1672708858 UZFKLNJRTOPNBL-HNNXBMFYSA-N 441.366 4.749 30 10 IJEE CO[C@](C)(CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 1674171508 IFNVKAPUHBYYBN-RUZDIDTESA-N 433.483 4.960 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1)c1ccc(Br)cc1 1683512823 RBNMUHHKILYOEE-DNVCBOLYSA-N 447.760 4.990 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1689829009 UBIGDMGPFLPWRE-MDPIYQRISA-N 428.552 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)CCC(C)C 1689829166 WCPCJJXHMLUEQL-YZZKKUAISA-N 432.996 4.717 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1690442156 NRJQXVIZBZXSSS-QFIPXVFZSA-N 443.599 4.630 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)C(=O)OC(C)(C)C 1690518482 LTIMFTUREOKCLG-INIZCTEOSA-N 445.633 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(OCC)cc1 1690585649 QUZUCLRQMLGKBW-UHFFFAOYSA-N 442.361 4.661 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)c1c(C)noc1C 1690613751 SFKQMVSMZDORID-INIZCTEOSA-N 435.528 4.739 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1690734125 WFPBHABCXZHXLZ-PKOBYXMFSA-N 428.602 4.824 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1690750494 LPUFHAMKGCXUCJ-UHFFFAOYSA-N 438.519 4.784 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCC[C@@H]1C 1692343303 AFHCVXISZLPUFW-FDDCHVKYSA-N 429.996 4.916 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)OC)CC1 1695467321 AHPOKBIVZIUSJA-QFIPXVFZSA-N 439.604 4.807 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705726543 RMSOIYRMVSMLSF-UHFFFAOYSA-N 435.547 4.530 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)c1ccco1 1705729140 MUFYNCMWKCYUTB-IBGZPJMESA-N 437.544 4.530 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCN2CCC)CC1 1705763330 SVYVPCVCJLWJLY-RTWAWAEBSA-N 441.595 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1705793666 FSLXPIAOMJKNMM-AUSIDOKSSA-N 449.574 4.972 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 1705797335 UIBMSQDZDILUQY-RBBKRZOGSA-N 431.584 4.628 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCN(C(C)C)C(C)C 1705838465 QARPFNUMDKJLCD-UHFFFAOYSA-N 438.389 4.588 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](OC)c1ccc(F)cc1 1705867198 JODVVGJKPNCRRY-NHCUHLMSSA-N 442.560 4.911 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1705892271 RJHFZWDUBIGDEL-LJQANCHMSA-N 428.487 4.995 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC)[C@@H](C)C1 1705942254 LVBAUKNAFAVCHH-MSOLQXFVSA-N 445.702 4.581 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)SC 1722391253 YZUAAOLDQDXIAH-OALUTQOASA-N 445.032 4.903 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC=CCC1 1722406898 AVTSHHFMXSGLSP-INIZCTEOSA-N 429.362 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc2c(n1)CCCC2 1722515677 PMIIDPBRMMKYBL-UHFFFAOYSA-N 445.611 4.796 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nc(C)c(C)s2)CC1 1722582495 KORLCFRBCHMOTJ-UHFFFAOYSA-N 429.540 4.671 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722593288 MJZRSSWCYDOYML-JOCHJYFZSA-N 438.616 4.614 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](CC(N)=O)C1 1722596961 CKPOBPQBBIVPNH-SFHVURJKSA-N 441.645 4.724 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1nnc(C(C)(C)C)s1 1722599017 SBOJVMJLOHNPFM-QGZVFWFLSA-N 432.638 4.552 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CCn1cc(Cl)cn1 1722662404 JQVQFQSFKNCXKA-UHFFFAOYSA-N 431.009 4.815 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC2(CCC2)C1)C(C)C 1722665860 OQYFWSSQEFALIF-FCHUYYIVSA-N 427.637 4.599 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC=CCC1 1722675393 MEGQRSIUTWRBDG-DEOSSOPVSA-N 430.600 4.731 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCOC2)C1 1722732801 PHORWEYYXXCQFL-VGOFRKELSA-N 449.020 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(OC)C1CC1 1740534370 YJZZUPMOBAXJJG-HOOSLVGPSA-N 445.007 4.961 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C 1740576535 ZGFDHMRIGXEBGH-UHFFFAOYSA-N 429.609 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCn2ccnc21 1740767381 UAFCVBHMXLCDRO-MOPGFXCFSA-N 438.551 4.734 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCC(C)CC1 1740862066 IZWOVBPPKKOKFL-UHFFFAOYSA-N 434.588 4.563 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1740868156 FQKXPMZCOMDBOP-OALUTQOASA-N 428.577 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1740919486 HWCCCMFEBJMZAU-NBGIEHNGSA-N 437.563 4.963 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)cn2C)n1CC=C 1740919663 OAFNCIHPFZDKNK-UHFFFAOYSA-N 430.325 4.564 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(OCC(F)(F)F)c1 1740930370 SLFOBEXKEPLWNF-UHFFFAOYSA-N 443.473 4.816 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N(C)[C@@H]2CCCc3c2cnn3C)cc1 1740966579 UGIVZFSXXFUGNV-PGRDOPGGSA-N 434.588 4.652 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCC[C@@H]2C)C1 1740978502 WMBODVANXCKIML-VQTJNVASSA-N 444.023 4.644 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1741495555 BPWSENADZXNABH-AREMUKBSSA-N 444.583 4.626 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC2(CCCCC2)O1 1741805862 GLOQJBMGWBEHOI-DOIPELPJSA-N 443.636 4.817 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCC[C@@H]1C 1742046498 BFURLMOYYNMNEZ-MSOLQXFVSA-N 449.628 4.600 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(OC(C)C)cc2)n1 1742318444 CNYBZJQQRSFTSY-UHFFFAOYSA-N 430.556 4.614 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 1748709043 OEVUCPGXEBXFOU-UHFFFAOYSA-N 426.927 4.579 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCC(F)(F)C1 1748784795 GWYULIQMAKTXIG-KRWDZBQOSA-N 425.483 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOC(C)C 1749055809 OWFHYBLVYYBWJE-AREMUKBSSA-N 431.584 4.770 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(N(C)C)CCC1 1749073389 NDSAQNFXPFKYPC-AREMUKBSSA-N 449.643 4.765 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)[C@H](C)C1CCC1 1749187429 IYOSERACVQQTJT-GOSISDBHSA-N 434.588 4.827 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2CCC[C@H]21 1749218675 SHCAMVORUSWOBI-YLJYHZDGSA-N 445.405 4.988 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC2CCOCC2)CC1 1749286477 MJCMFUKDITXTIT-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1749386025 XZHQFKWQZQDCMY-DEOSSOPVSA-N 445.611 4.877 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCCC(C)C)CC1 1749431025 WIDZORLRIQSCDZ-HSZRJFAPSA-N 440.588 4.788 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@@H](CC)C1 1749444766 DXOIATNYTOPIDD-IBGZPJMESA-N 437.613 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1CC(F)(F)Br 1749544837 OWCQQLGJTJWFKH-UHFFFAOYSA-N 429.284 4.550 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(C)COCCO1 1749548361 BHYDREKLIODSLY-JOCHJYFZSA-N 444.988 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC(C)(C)C1 1760098247 QGYXPOCSZUPWRX-RBBKRZOGSA-N 437.632 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(OC(F)F)c1 1760104309 WILAREAPJGZBRS-INIZCTEOSA-N 439.510 4.745 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCCN1CCCC 1760106160 AEFLYLSLJHYUID-IRLDBZIGSA-N 430.600 4.606 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCN1C1CC1 1760122692 QGTNROHJPPVUMC-JTHBVZDNSA-N 449.643 4.764 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C=C)CC1 1760276602 JHUVSZGNHOJOBA-UHFFFAOYSA-N 449.393 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)C[C@@H]1CCCO1 1760320294 WVJUWDGUWYMJJS-JBACZVJFSA-N 430.980 4.585 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(C)C)C1 1760446232 LEMKJRDAACOHSP-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(=O)NC(C)(C)C 1760456128 HSKFZZOAJARUEP-QGZVFWFLSA-N 448.011 4.615 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1760481683 DQFKXXIPKOHPBK-UHFFFAOYSA-N 427.593 4.863 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC=CCO1 1760483652 XPEXOVDDUGBNOG-LJQANCHMSA-N 439.922 4.670 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1760503740 DIIBLGSKGXAOLD-NFBKMPQASA-N 448.970 4.582 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@H]2C[C@H](F)C2)C1 1760538132 WFBGWZUGXDOZGY-KBAYOESNSA-N 434.943 4.527 30 10 IJEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nc(C)cs1 1763386165 IFLOWYOVROVHHW-LPHOPBHVSA-N 436.585 4.676 30 10 IJEE COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c1 1858203209 VOICFTQVWLOTIE-UHFFFAOYSA-N 425.897 4.586 30 10 IJEE Cc1cccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)c1C 1858840632 QKQJFPDZTVVCEC-KRWDZBQOSA-N 429.480 4.620 30 10 IJEE CC(=O)Nc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2cccc(C)c2)c1 1859417036 QKNYDAYKJJVBBS-UHFFFAOYSA-N 449.514 4.989 30 10 IJEE Cc1cc(C)c2c(=O)cc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)oc2c1 1859750376 YZDMFIICJJDIPX-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4ccnc(Cl)c4)cc3)CC2)c1 1860685200 XUDHCHAWBQEZNX-UHFFFAOYSA-N 443.890 4.755 30 10 IJEE CCCCCCCCCCNC(=O)CNC(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861360102 IHFDENMQHJNWLQ-UHFFFAOYSA-N 447.403 4.997 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862411420 HRQWYKLRMHPIIM-IBGZPJMESA-N 429.419 4.944 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862480521 IOOPXORNJWROBO-OAQYLSRUSA-N 444.934 4.708 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccccc2Cl)c1 1862491462 UKPXTCKRLINRIE-JOCHJYFZSA-N 440.971 4.877 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(F)c2)cc1 1862555896 KQMMCGVIEUQNPR-CMJOXMDJSA-N 446.478 4.756 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(F)c1 1862582182 YCWBAKAPNCYVPU-GOSISDBHSA-N 438.282 4.747 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862585427 WGSDCCQZHZANDH-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(O)cc2)cc1 1862590562 LGMQYRVDPYSNFB-FYSMJZIKSA-N 443.499 5.000 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1c(Cl)cccc1Cl 1862611415 KYBUTRGGPYICJD-LJQANCHMSA-N 448.302 4.751 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862657510 ZELSKUHXLNFBPD-FQEVSTJZSA-N 436.851 5.000 30 10 IJEE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866781414 IVWONHMHEBIMCB-ZEQRLZLVSA-N 429.495 4.753 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 1867121459 KEYJHWWONMVAHI-VWLOTQADSA-N 425.532 4.556 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C 1868839245 KSGRZIXQVUMURQ-PKTZIBPZSA-N 430.658 4.988 30 10 IJEE CCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(CC)c([N+](=O)[O-])c1 1870790399 XLIJYDHHPBINRZ-UHFFFAOYSA-N 445.560 4.663 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN(CCCCCO)CO2 1871352289 YTIUMNWPUZZJTM-JAIQZWGSSA-N 431.891 4.718 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccccn1)C2=O 1871373293 XGJXPULCCOQTKT-ODLFYWEKSA-N 436.807 4.787 30 10 IJEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871381387 RMYPGUPQMKZUID-CDSBARFGSA-N 431.375 4.969 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccccc2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871504355 SDBWHUHZDPKIHK-UHFFFAOYSA-N 428.584 4.994 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCOCCCC)nc(Nc2ccc(Cl)cc2C)[nH]1 1871569231 KUTSOXMUKUEYGD-UHFFFAOYSA-N 445.011 4.796 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871985988 RGZPRDUOHIVVFW-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872480153 WWDBELLKTGLWGM-QFIPXVFZSA-N 428.598 4.768 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872511726 NCZZMOLQHFXDKS-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CCC 1872581012 POIGUDOTIFRUDC-JOCHJYFZSA-N 437.650 4.566 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874225902 IVJJGZGCMDKKND-HZHRSRAPSA-N 439.541 4.809 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccncc1 1874289813 XZENBQRRNCJCPL-CVKSISIWSA-N 445.548 4.744 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874342650 BCMBZDPPCYOPBI-OEAKJJBVSA-N 428.945 4.700 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2F)c1 1874495196 ZRZXLVJAIGHLNS-BRJLIKDPSA-N 441.507 4.745 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CCC2)ccc1O 1874496076 ULDBYRMVPRSMQB-SSDVNMTOSA-N 443.916 4.987 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cccc(OCC)c1 1874504623 WEUKKWKXVCUZDL-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)ccc1OC(C)C 1874565641 MIEABRZCRSDDHL-MFKUBSTISA-N 432.549 4.989 30 10 IJEE O=C(/C=C/c1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc2c(c1)OCO2 1874707711 SERAHGXEAHXLIO-XBXARRHUSA-N 426.346 4.948 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1 1875194320 PSQMCOPVRDSILV-RVDMUPIBSA-N 448.471 4.836 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccc(C)cc3)ncnc2n1CC(C)C 1875210318 YQWNCUOKLKJDJN-UHFFFAOYSA-N 431.584 4.865 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)c3ccccc3CCc3ccccc3)CC2)c1 1891434864 RGAGUPQVFHYGPG-UHFFFAOYSA-N 425.532 4.670 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(OCCOc4ccccc4)cc3)CC2)cc1 1891771963 VRDFNGGHEBZNSA-UHFFFAOYSA-N 442.515 4.700 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 1950026361 OAXYQWZCJBXMCI-WIRVKHDMSA-N 431.508 4.859 30 10 IJEE N#Cc1ccc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 1962351369 PJMIBUWELCLBFC-UHFFFAOYSA-N 431.467 4.970 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2023581745 BDIUVWHWPBJKAG-ZOCZFRKYSA-N 436.557 4.900 30 10 IJEE C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)C=Cc2ccccc2F)cc1OC 2040435979 AQQGHDGLVBDLJR-OAQYLSRUSA-N 425.500 4.620 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]1C1CC1 2073784165 XJFDECJCQGUBFM-VGSWGCGISA-N 448.568 4.996 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Cl)c(Br)c2)NC)C1 2077086142 RPRKNHSOVKSMCL-INIZCTEOSA-N 429.786 4.847 30 10 IJEE Cc1ccc([C@@H](n2nc(C(F)F)c(/C=N/O)c2I)C2(C)CC2)cc1 2079060817 NLHXKQYVGCOYKL-SCDDIDHTSA-N 445.251 4.931 30 10 IJEE Nc1c2c(nc3c(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)(F)F)nn13)CCCCC2 2081536067 CILXANXBGZQTNI-UHFFFAOYSA-N 436.306 4.962 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1F 2102881857 GAWMYBAXOPIUKX-SJLPKXTDSA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccccc1 2124520074 QTKHFQFSWAIZBD-GOSISDBHSA-N 444.381 4.513 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2cc(Br)ccc2C#N)(C(F)(F)F)C1 2167670019 DZWUFURXWJMNOU-QGZVFWFLSA-N 448.283 4.922 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)C1 2180073986 OFBXZKDALAQZTO-HNNXBMFYSA-N 435.362 4.980 30 10 IJEE CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1C#N 2181146728 OLWKSPTUOLCXIX-MRXNPFEDSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1c1cccc(Br)c1C#N 2185155788 ZTUAPWOGQBRXLF-MRXNPFEDSA-N 444.320 4.840 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCC2)CC[C@H]1COc1cc(Br)cnc1C#N 2198819556 HZNZFISPKAFWGI-HNNXBMFYSA-N 436.350 4.664 30 10 IJEE C=CCC1([C@H](NCC)c2cc(Br)nn2CCC)CN(C(=O)OC(C)(C)C)C1 2232453818 ACTSGIPDCWHHSX-QGZVFWFLSA-N 441.414 4.519 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C1CC2(CCCN2C(=O)OC(C)(C)C)C1 2235716766 HKRPKCZEJFMAGV-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@H](N)C#Cc2ccccc2Br)C12CCC2 2235733358 UCKRSAQUEUTVKM-ZHALLVOQSA-N 433.390 4.602 30 10 IJEE CCc1ccc(C#CC(=O)c2ccc(Br)cc2I)cc1 2239742710 FZGAMIKATNRFNT-UHFFFAOYSA-N 439.090 4.851 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1CC#N 2243927594 WQBPOYPGBVSLCZ-UQBPGWFLSA-N 445.563 4.844 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)CCCCC1 2255533948 AECIEDLPSQOCRL-UHFFFAOYSA-N 426.410 4.564 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1F 2266990771 WIYRXGCFDTZZIA-UHFFFAOYSA-N 448.344 4.805 30 10 IJEE Cc1ccnc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267507648 RUTLIURZGUPJHN-LJQANCHMSA-N 436.405 4.766 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccccc2NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267566086 WKYOKPMUXCCOKA-RDJZCZTQSA-N 442.365 4.621 30 10 IJEE C=CCCC1([C@H](NCC)c2c(Br)cnn2CC)CN(C(=O)OC(C)(C)C)C1 2281033133 QGQBSWMHUFRFHA-QGZVFWFLSA-N 441.414 4.519 30 10 IJEE C=CCCC1([C@@H](Cc2c(F)cccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2289743832 QUCULAMLCKDFQC-GOSISDBHSA-N 441.385 4.922 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccc(Br)cc2)CC2(CC(F)C2)C1 2296267149 PVRGTLZFFYCEBU-UHFFFAOYSA-N 436.321 4.545 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2296311568 YLABCRCHZDPROO-LSTHTHJFSA-N 435.406 4.814 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1C 2296604917 GPIRFCWEXVACIT-FQEVSTJZSA-N 438.867 4.580 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)c3ccc(C)cc3)ccc2C1=O 2296867371 LAXDOPBUQJBBLQ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 2322214452 ORMVIGMYBWOQBJ-UHFFFAOYSA-N 442.471 4.996 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2322749007 UFVJHBXVBQEPJD-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1OC 2323069051 JIHLJPRDLBMLCU-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1ccc(C)cc1 2323097969 DBHYINCRQYDUEB-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2323790803 LAHYWTBPTQSSSL-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CCc1ccc(C=C2Oc3c(ccc(O)c3CN(CCO)Cc3ccccc3)C2=O)cc1 2324009880 RHAZXDMAAUFJGW-UHFFFAOYSA-N 429.516 4.565 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1OC 2326467448 FERBZFQUXJQIRW-UHFFFAOYSA-N 446.960 4.830 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1c(C)[nH]c2ccccc12 2326793751 UHEXIPZUPVFDCY-UHFFFAOYSA-N 433.537 4.591 30 10 IJEE CCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCCO)cc1 2327785458 QMTCRYNCIAOXFM-UHFFFAOYSA-N 446.576 4.778 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccn2C)cc1 2328578444 LFJCISAFQCQWMR-UHFFFAOYSA-N 445.592 4.627 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1F 2329622836 ZNFUSGLYLJAFEK-UHFFFAOYSA-N 432.908 4.665 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1N=Cc1cc(Br)ccc1F 2329920302 YZBSAPQEOZDLGO-UHFFFAOYSA-N 447.333 4.919 30 10 IJEE CCCNC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2330084068 MVXFNZNHSNYCJW-MRXNPFEDSA-N 441.988 4.584 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1O 2330651526 JILZFBJPHJGPNZ-UHFFFAOYSA-N 434.496 4.973 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1 2330971291 OHHCNKUARDKWBO-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cc(C)ccc2O)o1 2331065807 GVYCWXMFEUKNCH-UHFFFAOYSA-N 440.525 4.504 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(C(C)C)cc1 2331333946 QBAHZESUUSBGAK-UHFFFAOYSA-N 439.585 4.628 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cc(Cl)ccc1O 2331640743 WKQQTKUZTRKYJX-UHFFFAOYSA-N 431.905 4.672 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331705350 KSDZOGHUIJTNHE-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2cccc(C)c2)nnc1C1CC1 2331731084 UYLZHPUPHQYCFB-UHFFFAOYSA-N 438.553 4.664 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342483886 YABOORWXPUHAGL-HSZRJFAPSA-N 448.344 4.871 30 10 IJEE C#CCN(Cc1ccc(I)c(Br)c1)C1CCCCC1 2349827884 YJYAXTQRPUGCCE-UHFFFAOYSA-N 432.143 4.822 30 10 IJEE CN(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2364752802 BKNCROXGKUVGPO-DNQXCXABSA-N 446.400 4.678 30 10 IJEE C=CCNC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21 20696103 GDLOSKPMDZBLHF-PXARDIRTSA-N 425.326 4.897 30 10 IJEE COc1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3cccc4ccccc34)[nH]2)cc1 21039845 XDFGWCBWCRPBKY-BUVRLJJBSA-N 446.536 4.533 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2cccc(C)c2C)c(C)n1 32973020 NCYAOOVLASNBML-UHFFFAOYSA-N 446.599 4.682 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S/C1=N\c1cccc(O)c1 33768807 JCXXXFJACBHGHB-VUDXFGETSA-N 449.454 4.557 30 10 IJEE C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 36308276 CFZDGKMQTCAHKK-JOCHJYFZSA-N 435.568 4.655 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)cc1 41355684 MFSPGSUTILIVFX-HMAPJEAMSA-N 428.440 4.546 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccnc1Oc1cccc(F)c1 63401666 LTLYUTGUCCBNEI-UHFFFAOYSA-N 436.443 4.819 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)c(Cl)c1 100195024 OLGNQBYGGBQACS-MAVBTGMRSA-N 445.972 4.946 30 10 IJEE CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2CC)cc1 100242617 MNZIBLXGBZNZMT-GOTYSUTNSA-N 431.945 4.719 30 10 IJEE O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Br)cc2)/C1=C(/O)c1ccccc1 103090618 OQMQIDVQZUMSDY-LAFOYAEKSA-N 438.277 4.664 30 10 IJEE CCCCCCCN1C(=S)N(CC)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1 104717885 BEBGNIXGUVPBLV-HXUWFJFHSA-N 433.618 4.592 30 10 IJEE CCCCCOc1ccc(/C=N\n2c(S)nnc2COc2ccccc2)cc1OC 169914261 CNZHRMMOMCQDNK-HAHDFKILSA-N 426.542 4.606 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921826 KMSIDWPCNVCROS-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE CCOC(=O)c1sc(N/N=C\c2ccc(OC(C)C)c(Br)c2)nc1C 169943327 RABNWWUTCMSRPU-OCKHKDLRSA-N 426.336 4.624 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2)cc1C 170065055 OHEHOTUCDSOZJV-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2C2CCCC2)c1 170121284 UCGFYBIZHAFUQV-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2OC)c1 170123327 SLTGCAANMYWQPZ-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(N(C)C)cc1 170129409 LPUWIFRUEWDNGL-FQEVSTJZSA-N 442.943 4.711 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccs2)c1 170158491 VEZUUPODRHFBEV-OAQYLSRUSA-N 433.485 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1)c1c[nH]c2ccccc12 170203591 VEEACCAHTHBMTM-OAQYLSRUSA-N 429.863 4.999 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccncc1 170211715 VTIHXJGWZBELKW-HSZRJFAPSA-N 430.504 4.628 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)c1 170260561 KXAOPEOHRNPMDT-QFIPXVFZSA-N 433.460 4.551 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(F)c2)o1 170299121 YPMGPMOGULKCKQ-JOCHJYFZSA-N 433.435 4.835 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(F)c(Cl)c1 170334022 KQMWMTBEFVGLRO-IBGZPJMESA-N 427.815 4.864 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(O)c1)c1ccncc1 170386023 OJDFYYOJMJRMGH-IBGZPJMESA-N 441.270 4.877 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(N(C)C)cc1 170446961 ODRMNOLZQCOHBQ-NRFANRHFSA-N 435.549 4.878 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccccn1 170478711 VLDWUPFIFMYCQT-QHCPKHFHSA-N 428.488 4.786 30 10 IJEE CCOc1ccc(C(=O)N2CCC(Nc3c(C#N)cnc4c(C)cc(F)cc34)CC2)cc1 301332748 FFDBOMOPNKKHFL-UHFFFAOYSA-N 432.499 4.669 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)cc(OC)c1OC 436126108 ILMXEVRSJMEEAC-UHFFFAOYSA-N 449.551 4.971 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC 502588804 NZDXNKYFRHTVHN-UHFFFAOYSA-N 446.551 4.803 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 502981619 HKAFAEOSGWAROB-QFIPXVFZSA-N 429.904 4.514 30 10 IJEE C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 508503566 HBNRJAGEKYZBGZ-QGZVFWFLSA-N 448.477 4.843 30 10 IJEE COc1ccc(OC)c([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526609563 VZIXNOWLSRLQHT-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CC(=O)c1cc(Br)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 541416976 QOIPOZANEPYYBU-UHFFFAOYSA-N 436.265 4.963 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 562029942 SQFSRRGLUYOTPF-OAQYLSRUSA-N 427.508 4.606 30 10 IJEE C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N(C)Cc1cnn(C)c1C 583511861 JQOAHEILQZLAEX-UHFFFAOYSA-N 439.523 4.618 30 10 IJEE C[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12)c1cccc(C#N)c1 587719018 PYAIEKQHOPLLIB-BCHFMIIMSA-N 433.511 4.794 30 10 IJEE N#Cc1ccc(Nc2cc(I)cc(I)c2)cc1 690336334 WRYCHFVYXSDTOQ-UHFFFAOYSA-N 446.029 4.511 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@](C)(C#N)c1ccc(Br)cc1F 698434262 AIGAVEOWVSSVRS-KUHUBIRLSA-N 427.314 4.743 30 10 IJEE COc1ccc(CCN(Cc2ccccc2)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747435887 RMXZBHBSEPPWLI-UHFFFAOYSA-N 429.520 4.530 30 10 IJEE COc1ccc(/C=C(/C)C(=O)OCC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1F 755042535 RSICQGGLRPIVMV-IRVMHKCDSA-N 442.512 4.814 30 10 IJEE Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)CCC2=O)cc1C 760967884 FCUUPECQUYJIJU-NZQKXSOJSA-N 439.515 4.547 30 10 IJEE C=CCN(C(=O)[C@@H](C)Sc1nc2ccccc2s1)c1nc(C(=O)OCC)cs1 762507957 FMAIOLQBLTZDNW-GFCCVEGCSA-N 433.580 4.629 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CCCN1C(=O)OC(C)(C)C 786316950 BWFBPHIVYXSCAR-SGTLLEGYSA-N 433.496 4.685 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](C(C)(C)C)C1 802578743 ZSUDIWVEPMREEL-FQEVSTJZSA-N 425.577 4.543 30 10 IJEE C=CCc1cc(/C=C2\S/C(=N\C)N(C)C2=O)cc(OC)c1OCc1ccc(F)cc1 1084203768 MSADXHXEVWFZME-VDJWSQCXSA-N 426.513 4.674 30 10 IJEE Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 1126238962 DLMOSWQWQQXWFE-XMMPIXPASA-N 443.522 4.984 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(F)cc(C)c1N)c1ccc2c(c1)OCCO2 1144704452 KBTDFOSZUDYOHF-UHFFFAOYSA-N 448.494 4.899 30 10 IJEE C=CCn1c(SC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nnc1-c1ccccc1F 1164610789 BCPUPKLMTQCVTI-CVEARBPZSA-N 432.565 4.865 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@@H](c3ccc(Cl)s3)C2)c1 1191231048 BJTNOJDZBURUEU-IEBWSBKVSA-N 431.989 4.727 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(C(=O)NC)ccc2C)cc1OCC 1201241770 GRLDMVSQIWRWFG-UHFFFAOYSA-N 433.346 4.693 30 10 IJEE C#CCN(C(=O)Nc1cc(OC)c2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1209572191 CFYCDJZDSUJQKD-UHFFFAOYSA-N 437.540 4.715 30 10 IJEE CC(=O)Nc1cccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 1264926007 DRLYCAZXZFSUDP-UHFFFAOYSA-N 433.895 4.930 30 10 IJEE C#CCO[C@@H](C)C(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 1265077833 FMVZDDSIGHVJKP-INIZCTEOSA-N 428.326 4.771 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1F 1275499280 WOHOFDLQVZPRJS-QFIPXVFZSA-N 430.870 4.831 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccn(C(F)F)c4c3)CC2=O)cc1Cl 1278589726 BYDYUURRVIONPW-AWEZNQCLSA-N 428.826 4.553 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1286400060 VBSXNTFOVCQVTO-RBUKOAKNSA-N 444.501 4.846 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286428543 NFVDNDARVUHBCU-VQTJNVASSA-N 444.501 4.634 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cc(C(C)(C)C)no1 1286461225 WAVMZKOJFKOUGY-UHFFFAOYSA-N 449.599 4.662 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(CCC)Cc1ccc(F)cc1C 1286506893 PJXYLGUQLZRFDA-OAQYLSRUSA-N 430.593 4.750 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1286508333 KJYHUCXDZBWUPE-LJQANCHMSA-N 443.686 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)=C(C)C1 1286561941 HNGOPXQUAOVWLL-YUMYIRISSA-N 428.621 4.724 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1286564589 NRAOZBXITCDAFM-WIYYLYMNSA-N 434.506 4.867 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286591517 ZXSWNEFRJSXSMZ-MSOLQXFVSA-N 433.394 4.924 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCC[C@H](C)C2)CC1 1286651708 JDXSLRSHSVHPQZ-PMACEKPBSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOCCC(C)C)CC1 1286654539 KUEOTCBIBATDQV-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)c1nccs1)c1ccccc1 1286680227 XHIVEXLXDLIERG-ICSRJNTNSA-N 447.612 4.735 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1286699437 CRORUKGXXPVQJZ-UHFFFAOYSA-N 436.503 4.799 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccccc1 1286709247 ZXKQXXOJXIWQIG-INIZCTEOSA-N 444.377 4.826 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@H](c1ccccc1OC)N1CCCC1 1286747773 PMVXFILIMFBPAB-JOCHJYFZSA-N 437.613 4.686 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(Cl)c1 1286764352 MSLINQAFARKSML-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1286777409 YPTCASVBVJFFLM-VXKWHMMOSA-N 437.632 4.696 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)c2ncc(C)s2)C1 1286801795 IDJALEFCNBPXMJ-HNAYVOBHSA-N 444.004 4.948 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(Cl)c(I)c3)cc2n1 1289214912 CUPHMMZMSGKIOI-UHFFFAOYSA-N 437.668 4.733 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1293361757 BGDFEYYFCRBOKF-XZOQPEGZSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@](C)(CC)C1 1300422633 UZGISXWKHARNJX-OAQYLSRUSA-N 437.371 4.583 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@H]1C(=C)C 1300429699 AGTRQDDDJZUTEI-ZJOUEHCJSA-N 442.991 4.739 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](SC)C(C)(C)C 1300439500 DVFJPWLOSOAIMI-MRXNPFEDSA-N 439.398 4.694 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CCC(C)(F)F 1300591470 RPHRSRKWTPQWGD-UHFFFAOYSA-N 428.527 4.797 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCC(F)(F)C1 1300786634 GYPBJOIFCMAZGQ-HYFFOGBASA-N 432.490 4.985 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1301197220 QHIAVYJGGAKRNA-GOSISDBHSA-N 438.551 4.641 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccoc1 1301346554 FACPHPOUSNCIKV-UHFFFAOYSA-N 438.329 4.870 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1(SC)CCC1 1301354954 LXFJXRRXQAFYRO-UHFFFAOYSA-N 437.588 4.881 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301529153 HOJSNPIXSYPQFM-RXVVDRJESA-N 434.588 4.652 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1301617611 GFJUPLIDIHBKTH-QHCPKHFHSA-N 428.671 4.706 30 10 IJEE Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)cn1 1304358402 FIVBTVFUINMROJ-UHFFFAOYSA-N 426.568 4.784 30 10 IJEE N#Cc1cc(F)cc(NC(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c1 1311103401 FBDRFRKKYHCHFF-UHFFFAOYSA-N 448.473 4.770 30 10 IJEE N#C[C@@H]1CN(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)CCN1Cc1ccccc1 1311632226 HFPFJONOLZHDNH-SXOMAYOGSA-N 438.575 4.780 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCO[C@@H]1CCCC[C@H]1C 1315603405 DDEGVPYFDNLPLM-DZRGJMJISA-N 437.588 4.679 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Br)c3)n2CC(C)C)C1 1325278863 MLRPAJFAYGXAMY-QFBILLFUSA-N 449.393 4.618 30 10 IJEE C=CCN(C(=O)[C@H]1CC(c2ccc(C)cc2)=NO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350012659 NQCAIGOEHNAAHB-OAQYLSRUSA-N 448.504 4.739 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1)c1nc(-c2ccccc2)cs1 1350012813 PHUVHGDDNRLVRW-FQEVSTJZSA-N 431.561 4.999 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C#N)ccc1F)c1ccc2c(c1)OCO2 1350354367 MSWGNVYOLKEIOQ-UHFFFAOYSA-N 430.435 4.838 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@H](C)c2ccccc2OC)c(C(=O)OCC)c1C 1352311780 LAFOIVAEODKMAH-AWEZNQCLSA-N 445.537 4.717 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 1354730598 GAQUOYXERGNGKG-UHFFFAOYSA-N 433.460 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)C(C)(C)C 1358878677 BEOYVKAYKUWQLY-YJBOKZPZSA-N 433.394 4.535 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1358906119 WXGGUUVLECVZBE-XZOQPEGZSA-N 430.600 4.741 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1358922057 RUXNLRZUQKWRFZ-VQTJNVASSA-N 434.613 4.859 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1358934166 RYXVGOJHOUGXLV-ZEQRLZLVSA-N 449.643 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](COCC)C1 1359185758 IFABSAGSLKEERA-LJQANCHMSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359211099 RMJBWVXBESENQE-QZTJIDSGSA-N 429.565 4.552 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OC(C)C)CC1 1359222405 HYPPSCUCUZKTEL-UHFFFAOYSA-N 449.599 4.788 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1Cc1ccccc1OC(F)(F)F 1359277889 ZIQRODZOMOEMBI-UHFFFAOYSA-N 432.446 4.931 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC2(F)CCC2)C1 1359326122 SUBAMBAFCNVQHH-IBGZPJMESA-N 430.593 4.942 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1359340722 XBSSNOFNRMPPPT-MRXNPFEDSA-N 448.017 4.552 30 10 IJEE C#CC[C@]1(C(=O)NCC2(c3cccs3)CCCCC2)CCCN1C(=O)OC(C)(C)C 1360630039 WFGNHORMIIPNKR-XMMPIXPASA-N 430.614 4.859 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2ccc(-c3cn(CC)nn3)cc2)s1 1435888949 ZQDDSJITZLEJBW-UHFFFAOYSA-N 434.974 4.723 30 10 IJEE CN(C)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1Cl 1440367949 DHDGEPIUEWTUCS-QHCPKHFHSA-N 433.939 4.823 30 10 IJEE C#CCN(C(=O)COc1cc(C)ccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1456449310 PHOFOUSSDREXII-GOSISDBHSA-N 448.744 4.775 30 10 IJEE COc1ncc(Br)cc1CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1460274011 ADUBWXYYPHXZCE-LBPRGKRZSA-N 428.252 4.786 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cccc([C@@H]3CCCC(=O)N3)c2)s1 1462815152 LXAPAEFTYAYSKB-INIZCTEOSA-N 436.002 4.819 30 10 IJEE C[C@H]1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1Cc1ccccc1 1466342613 HRURFNPKXATDTP-KXBFYZLASA-N 432.446 4.631 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(Br)c1O 1468866271 CEJTZFSBYMUWRM-UHFFFAOYSA-N 427.092 4.734 30 10 IJEE C=CC[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1)c1ccccc1 1469846177 SPUFFSNCJQZWFY-CWBXHPNXSA-N 442.600 4.657 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1473266913 DJFGRBSRSGTJDX-SFHVURJKSA-N 435.593 4.930 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)CCCC1(C)C 1475250618 UYCWTIWUXYVCDX-GOSISDBHSA-N 426.376 4.579 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cnc2c(Br)csc2c1 1475384877 MDAAJCPCEFEMPP-AWEZNQCLSA-N 437.384 4.525 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1505180254 FOPCJJRNTUFKGZ-FQEVSTJZSA-N 427.618 4.683 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1507561635 RKDSXRYDZDJEAW-QFIPXVFZSA-N 444.526 4.649 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)cc1F 1507681817 CMQSGIGOPCLVHQ-UHFFFAOYSA-N 438.572 4.931 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-c2ccsc2)nc1 1507681916 GGFWMUIIOLGCSQ-UHFFFAOYSA-N 434.956 4.625 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCCc1ccccn1 1507798763 WZSDNFVUJLXQQN-NOZRDPDXSA-N 445.611 4.953 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](c1c(F)cccc1F)N(C)C 1507815315 AYXWLAQUACPNAJ-WOJBJXKFSA-N 433.547 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCc1ccc(OC(F)(F)F)cc1 1507817908 RFLAEUWZZSFBDS-UHFFFAOYSA-N 431.462 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCOc1ncccc1F 1507819653 UCSZVWDCFJVSOE-UHFFFAOYSA-N 446.530 4.817 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1507821481 DHSCNBQEYWPTKU-FCHUYYIVSA-N 425.621 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(COCC)n1C[C@H](F)c1ccc(Br)cc1 1507822883 AHKKBGUYKGPSID-KRWDZBQOSA-N 425.346 4.690 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CC(C)(C)N1CCC[C@@H](C)C1 1508028825 WEKSYBBZMGKFER-OAQYLSRUSA-N 448.615 4.679 30 10 IJEE C=CCC1(CNC(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)CCCC1 1525844829 GRUPBODTNLMYAU-UHFFFAOYSA-N 433.936 4.593 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(C(C)(C)C)n2ncnc2n1)c1ccc(C(F)(F)F)cc1 1526560147 HGNSRYPAHFPDAX-MRXNPFEDSA-N 431.462 4.878 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1 1527602438 HZMWJAHKGRHWGP-UHFFFAOYSA-N 428.423 4.936 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccccn2)c1CC 1527807435 TVEYTYQOQQQKBK-UHFFFAOYSA-N 443.320 4.560 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1 1527817027 VEAXDFXPGWVDEL-DHIUTWEWSA-N 446.513 4.945 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Cl)ccc1I 1527931697 IUCGSFFBYOOLRV-UHFFFAOYSA-N 429.660 4.912 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(Br)ccc1F 1528416000 RAMQDGBCFXZBSD-UHFFFAOYSA-N 430.071 4.563 30 10 IJEE C=CCc1cc(CNC(=O)CCc2cc(Br)ccc2F)cc(OC)c1OC 1528661169 MUMMQXNDRJCTTF-UHFFFAOYSA-N 436.321 4.583 30 10 IJEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCCC1 1533324726 HCCWUZOIEHUKOX-UHFFFAOYSA-N 436.512 4.769 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1C(F)(F)C12CCC2 1538993833 SJQPYBYYVQUPPE-CJNGLKHVSA-N 435.316 4.601 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1csc(C)c1 1539238425 WUVRKEIGFFGLMK-UHFFFAOYSA-N 439.588 4.844 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC(F)(F)F 1539350790 ZDWSQAUUHKVIMM-AWEZNQCLSA-N 426.508 4.517 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1C(F)(F)F 1539510714 NPSUBJAUXMZALX-UHFFFAOYSA-N 445.514 4.670 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCCCN1CCCC[C@H]1C 1539549395 DHEATWXNVAEMNN-QFQXNSOFSA-N 435.616 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1539616772 RXHQNASCKCZHRV-CVDCTZTESA-N 442.579 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1539627162 IBDHIOVDCZCBQC-JXFKEZNVSA-N 429.927 4.683 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC=CCC1 1539643642 XFAZFOKLYJPTHD-UTKZUKDTSA-N 431.005 4.971 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1539729508 QLFCMUFBWXASHH-IAGOWNOFSA-N 449.368 4.532 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CCCC2)C1 1539758234 DJCYVXYCNAOKTQ-UHFFFAOYSA-N 430.980 4.874 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539848969 SFGRDMNBZTYFDO-OALUTQOASA-N 431.625 4.669 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1539955187 SBAGJULSPCSKHT-OAQYLSRUSA-N 446.599 4.735 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](SCC)C1 1539971436 GWZBVQUKLJSJKX-NRFANRHFSA-N 438.645 4.985 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCO[C@H]1C(C)C 1540088615 OKCRIXBKUQMFNR-GCJKJVERSA-N 430.618 4.652 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1occc1C 1540140078 IPDFGNZUVPVVAX-QHCPKHFHSA-N 442.585 4.523 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCO1 1540189395 ROBJHRKOHJWTHC-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC1(c2ccccn2)CCC1 1540191711 PZJYWRYFSCHOCT-UHFFFAOYSA-N 437.975 4.754 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@@H]1C 1541073376 YAJRIRXGXFIOGU-YGJVYZRNSA-N 438.955 4.809 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1544240667 QSLUDDYYEZUKDM-PEZBUJJGSA-N 430.426 4.682 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1545472866 IEDQQFOMRNNRCY-AVRWGWEMSA-N 446.555 4.815 30 10 IJEE COC(=O)CCSc1ncccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1546139161 BQDGGGJJQRSHFO-UHFFFAOYSA-N 432.505 4.604 30 10 IJEE CC#CCNC(=O)C(Cc1ccccc1Br)Cc1ccccc1Br 1546313098 TTYPUTXUGSFASQ-UHFFFAOYSA-N 449.186 4.753 30 10 IJEE C=CCCONC(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1557719788 TYPFIQSXFQVLRB-QFIPXVFZSA-N 440.927 4.660 30 10 IJEE C=CCN(C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(OCC)cc1)CC[C@@H](C)C2 1559768336 DUEULZMABVSXCT-MRXNPFEDSA-N 426.582 4.559 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 1562623514 KDCLERNLFGIBBR-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1 1564734793 PRVXQKJNJKOZAC-UHFFFAOYSA-N 433.596 4.982 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1567926559 QIQQOLSWECGODM-RUZDIDTESA-N 446.538 4.539 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 1583840513 DBGIPLPLRWJDNC-UHFFFAOYSA-N 436.397 4.509 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H]2CCOc3cccc(C)c32)nnc1-c1ccco1 1583903955 JPJGGUQZHFWDCC-KRWDZBQOSA-N 425.510 4.582 30 10 IJEE CCOC(=O)c1c(NC(=O)Cc2cccc(OCc3ccccc3C)c2)c(C#N)cn1CC 1584132441 CXBMRCRFIMSPFE-UHFFFAOYSA-N 445.519 4.625 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C)C(C)C 1585128745 KEIRSSHPZALKGZ-XZOQPEGZSA-N 441.616 4.683 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1I 1585853635 OBBIUJMKKOIBGV-UHFFFAOYSA-N 443.288 4.848 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(OCc3noc(CC)n3)cc2)C(F)(F)F)cc1 1587315758 WLFWDRGIGGAHCA-HXUWFJFHSA-N 430.382 4.653 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1ccsc1 1587937282 IKKRFHWOOBOXSD-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1sc(C)nc1C 1588280528 MISILHINDXDHOY-HNNXBMFYSA-N 439.654 4.907 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC 1588559820 KKNPHJXRBDLJRD-FQEVSTJZSA-N 441.551 4.539 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1589026747 ISDBDMLQLRRACQ-IBGZPJMESA-N 433.021 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@H](C)C1 1589163951 OUNOFHHIIXQSQZ-DRSNIGMVSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1Cc2cccc(Br)c2C1 1589295380 FMPHHXRCWQZLKJ-UHFFFAOYSA-N 426.156 4.593 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(Cc1ccco1)C(C)C 1593629908 BYEUAUYZIZCQNP-LJQANCHMSA-N 443.592 4.977 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1594408236 GBMDOUSZQKHCKJ-XMMPIXPASA-N 429.008 4.974 30 10 IJEE COc1ccccc1[C@@H](CC(C)C)OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1595972961 CFHHFXUGWSBLMA-VGOFRKELSA-N 440.927 4.904 30 10 IJEE CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1613494265 BKAPWWVJVPKOPZ-QFIPXVFZSA-N 437.588 4.590 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CCOC)C2)on1 1613521865 FZKJKAQFBIFYDF-SFHVURJKSA-N 448.571 4.619 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(C)o1)C1CC1)Cc1cc(Br)ccc1F 1615392490 LGFGBCQJNPWCNT-UHFFFAOYSA-N 435.337 4.669 30 10 IJEE C=CCN(C(=O)c1cc(-c2cccc(Cl)c2)on1)[C@H](Cc1ccccc1)C(=O)OCC 1616305253 FDNGGDVTNSRJEB-OAQYLSRUSA-N 438.911 4.798 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OCCCCCC)cc1 1621724729 WDHLHOYUBDTQLT-HXUWFJFHSA-N 430.545 4.669 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl 1622125422 SHTOTIVKPGRBEL-UHFFFAOYSA-N 435.899 4.903 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C)CC[C@@H]3c3ccccc3OC)n[nH]2)c1C 1623790685 MVOXYNHQFCZWIM-KSFYIVLOSA-N 433.556 4.698 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 1625130934 SOYUHHBIVSCUMD-OAQYLSRUSA-N 443.588 4.891 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc2nc(C)nc(N)c2c1C 1626554452 VHKPKYJVSXDTCZ-UHFFFAOYSA-N 449.349 4.620 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC[C@H](c4cccc(Cl)c4)C3)ccc2c1=O 1626703743 PVUTTZIYCVAWLC-YJBOKZPZSA-N 439.968 4.591 30 10 IJEE C=C(C)COc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c1 1626791287 ULSSOGVGBDVFGL-UHFFFAOYSA-N 434.565 4.916 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1nccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1628229477 JESVAHIHYARIOE-IBGZPJMESA-N 443.592 4.801 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 1631675555 PAQOYIJJOOAAFB-FQEVSTJZSA-N 426.561 4.986 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 1632863185 QEGALLMMFNVKAK-UHFFFAOYSA-N 434.971 4.963 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC)(c2ccc(Cl)cc2)CC1 1635882173 KITFGAWYCFTFBU-FQEVSTJZSA-N 432.992 4.917 30 10 IJEE C#C[C@@H](NC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1)c1ccc(Br)cc1 1636541809 PFRQSXFQELBEDF-UZLBHIALSA-N 449.707 4.615 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(Cl)c2C)CC1 1637076376 IBMIENINFCTOBG-IBGZPJMESA-N 435.996 4.547 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 1642540878 NQFIZXYNXVEQGO-QHCPKHFHSA-N 434.561 4.713 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)c1ccc(F)c(F)c1 1642781623 CXCKIQZMQALSFC-FQEVSTJZSA-N 434.508 4.537 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1ccccc1F 1643490933 IMOYEJOBGVCLHF-GOSISDBHSA-N 428.920 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCNC(=O)OC(C)(C)C 1649541090 CQVCELJOBDMOBM-UHFFFAOYSA-N 438.576 4.744 30 10 IJEE C=C(C)COc1cc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)ccc1OC 1651561422 RSXQRLRVLVEJLD-GOSISDBHSA-N 440.531 4.632 30 10 IJEE CCOc1ccc(C#N)cc1NCc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1 1652158405 DTFHZGIUEMUMMM-UHFFFAOYSA-N 436.464 4.536 30 10 IJEE C=CCn1c(S[C@H]2CON(CC)C2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1656002780 SDRDFNNPXHHARO-QAPCUYQASA-N 446.642 4.598 30 10 IJEE COC(=O)c1ccc(C(F)(F)F)nc1SCc1cc(C#N)ccc1Br 1656457727 CKPQPTACTBHGNI-UHFFFAOYSA-N 431.233 4.813 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N[C@@H](CCO)c1ccco1 1662958689 FGWZIVRYRKQGAD-LBPRGKRZSA-N 428.304 4.814 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 1666384670 ZXJFFDRCFOOKKG-JOCHJYFZSA-N 448.592 4.956 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(OC)cc2)c1 1666473241 MQHDETHQXNKLMZ-JOCHJYFZSA-N 435.524 4.502 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 1667558544 GGFXQMRWVXZCAE-HXUWFJFHSA-N 429.923 4.667 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@@]3(CO)CCc4ccccc43)cc2Cl)c1 1668730986 BSNPVFWPPCCXSM-RUZDIDTESA-N 447.922 4.746 30 10 IJEE C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1670159298 GIMRHLJOTBGSEO-GFCCVEGCSA-N 432.286 4.943 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OCC)c(Br)c2)cc1 1670483812 RETPBUAGIVPDSM-UHFFFAOYSA-N 433.306 4.799 30 10 IJEE CC1(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)Cc2ccccc2C1 1671797534 DGGOBUXIBMDTAC-UHFFFAOYSA-N 427.552 4.968 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 1674362538 AXLZOEFJNZOMQE-UZLBHIALSA-N 448.405 4.944 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)CCCC1 1674373032 XLTGCTIWEGWVTK-UHFFFAOYSA-N 429.580 4.699 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCCc2ccccc21 1675037950 LNEVBCLPHSVJRW-SIKLNZKXSA-N 425.935 4.780 30 10 IJEE C=CC[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccncc1 1679334172 JQJWETQZKPNZFX-FGZHOGPDSA-N 438.572 4.826 30 10 IJEE C#CC[C@@H](NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1ccccc1 1680516173 WTHLVICBLJSIGJ-WOJBJXKFSA-N 438.877 4.582 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1 1682352784 UQXGVQIEBZMFGT-RBUKOAKNSA-N 438.833 4.696 30 10 IJEE C#C[C@H](NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1)c1ccc(Cl)cc1F 1683689781 SLSUHZAESXIGJD-NRFANRHFSA-N 429.898 4.529 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](CO)Cc1ccccc1Br)c1ccccc1 1685799148 OUOZXHYQDKYMBB-DYESRHJHSA-N 431.374 4.607 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1689876681 HCHFAHAMTLIVOE-UGKGYDQZSA-N 440.563 4.756 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC(F)(F)F 1690157334 DFZIZTHJQXEANQ-UHFFFAOYSA-N 447.530 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](CC(C)C)N(C)C 1690203357 ZQOFZLZTSQIJQH-HFZDXXHNSA-N 446.599 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCOc1ccc(F)c(Cl)c1 1690208887 BLOWMLSWPAWPTP-JOCHJYFZSA-N 444.963 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1690212230 DPYKCEAGIFHWOL-VVZHRXSXSA-N 436.600 4.671 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690242970 FYFZMPSRMYTGJL-RCLSDMTESA-N 430.543 4.962 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCc1nccs1 1690257971 ZWQPMKRFGCAGDQ-UHFFFAOYSA-N 449.422 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccc(F)c1)N(C)C 1690259537 NAQQKCDZRACUGI-FQEVSTJZSA-N 442.970 4.838 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690369581 PXFILQONXVXMDF-UHFFFAOYSA-N 425.577 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690437963 VRNYOOJJBXBTGA-SFHVURJKSA-N 438.494 4.535 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1690472587 QUYOUBRFGRTGDG-MOPGFXCFSA-N 437.519 4.576 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1690476382 AVGOPPIXPGKABA-DEOSSOPVSA-N 428.577 4.712 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2C1 1690483508 QMFOVOTYIBZDDH-OAQYLSRUSA-N 437.588 4.879 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC(F)(F)CC1 1690750424 JFHMIADUHVYTFK-UHFFFAOYSA-N 440.585 4.734 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CSCCS1 1694240219 FLSVLQGAZCBDBW-RTWAWAEBSA-N 441.670 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C)(C#N)CC1 1705710733 ZLFVAQOLYWIMDT-QPPBQGQZSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1Cc1cccc(Br)n1 1705713621 MPTMLKIUNDZMPE-UHFFFAOYSA-N 426.362 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1Cc1cn2ccsc2n1 1705719680 HIQIPXPWFLGYEG-UHFFFAOYSA-N 436.585 4.579 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC2CCOCC2)CC1 1705771942 GFWFMXDUVMTURS-UHFFFAOYSA-N 430.980 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1705794179 YBXLBXJHFYVVDO-UHFFFAOYSA-N 445.652 4.916 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705815533 ZLUCJYIEMXJTBQ-RTWAWAEBSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCCc1cccc(C)n1 1705866303 MPLIDZCMESEFTG-HXUWFJFHSA-N 437.613 4.762 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCO1 1705867020 FXLNZONOGHUCGH-OAQYLSRUSA-N 438.597 4.907 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1CCC(F)(F)CC1 1705883487 JUGLRACQGJEGNB-UHFFFAOYSA-N 429.515 4.891 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2[C@@H]2C[C@H]2CCC)C1 1705920618 BBYVZZKOUINTFL-JTDSTZFVSA-N 431.378 4.850 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(O)(CCC)CCC 1722393148 SZPVQNNISZNKLA-UHFFFAOYSA-N 430.955 4.532 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1(OC)CCCCC1 1722418490 SHVAGOCQGCOEIV-UHFFFAOYSA-N 436.531 4.975 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccsc1 1722521195 CXZXMTQDSXYICE-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCOC[C@@H]2C)CC1 1722583805 YZKJSWAKTBXDFB-AZUAARDMSA-N 442.629 4.654 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1722586963 VCFUGRQHHRYFPT-SFHVURJKSA-N 442.608 4.617 30 10 IJEE C=CCCCn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1722623064 QQQNWZCUVMRQSZ-QHCPKHFHSA-N 430.980 4.501 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)c1ccc(F)cc1 1722644860 RIERHLHZWHHWRQ-PXNSSMCTSA-N 443.567 4.915 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1722646022 FPPZWIZQPGIWTN-KBPBESRZSA-N 437.407 4.739 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(O)c1ccsc1 1722663678 FJIMPTXYLAFSOB-DENIHFKCSA-N 444.626 4.743 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1oc(CCC)nc1C 1722664187 SAQRRAZDDREQLL-GOSISDBHSA-N 441.601 4.723 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)c1ncc(C)s1 1722678294 ONFJZDIXHHVHSK-AWEZNQCLSA-N 449.983 4.945 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)c2c(C)noc2C)C1 1722714223 INMKPINGLPHMNA-FOIQADDNSA-N 441.963 4.788 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@](C)(O)c1cccs1 1740677801 QXWOCJSLDMRYPR-HXOBKFHXSA-N 426.561 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)cc1 1740763501 LUWMOBIQYBWODM-KNQAVFIVSA-N 426.561 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(CCC)C1 1740770835 IBYWSUKHHFXRHU-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCSCC 1740785877 HNHYVCWFFISLIJ-ROUUACIJSA-N 437.654 4.894 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)c2c(C)noc2C)CC1 1740841944 GXAMQMFJFULYSX-INIZCTEOSA-N 439.535 4.807 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@](C)(O)[C@H](C)CC 1740904452 LXNRSXKCTPHRAH-JLTOFOAXSA-N 427.376 4.583 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCO[C@@H]1C 1740925610 PKZWGDVIAGDPBJ-QRQCRPRQSA-N 444.988 4.532 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC 1740935772 WLHDNXKPTNHKOE-UHFFFAOYSA-N 435.572 4.677 30 10 IJEE C=CCOc1ccccc1Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)CC 1740970966 FXUDIRGJFQSWIP-DNVCBOLYSA-N 428.487 4.925 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1CCCC[C@H]1C 1748657797 JMDRODONLXGRMZ-NHCUHLMSSA-N 430.600 4.606 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCN(C(C)C)C1 1748781093 XDHJUSPGNXGDEQ-QFIPXVFZSA-N 437.632 4.560 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCSCC(F)(F)F 1748907000 FAQFJCGCYXHWIV-CQSZACIVSA-N 446.926 4.827 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1749026718 OOYCZQRQBVPJKE-RBUKOAKNSA-N 442.629 4.591 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 1749043618 JSCDAUGYEZCBHU-OAQYLSRUSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](CC)N1CCCC1 1749054561 WESCTWQSHQMJSJ-AZSVPQILSA-N 449.643 4.901 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1749091980 KANBVCQKRGNVEX-QGZVFWFLSA-N 430.375 4.960 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1749132679 CADDHIMAPDBOLX-JLGINSKQSA-N 435.547 4.582 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2nc(C(F)(F)F)cs2)CC1 1749341592 JKWIQKYFFSZMDU-OAHLLOKOSA-N 441.523 4.640 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749373804 VCHIETUAXBSWCN-OTWHNJEPSA-N 441.645 4.887 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC=CCC1 1749529481 DYGNIIASIWRDNK-JOCHJYFZSA-N 446.599 4.697 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N 1750243674 HKDKMACYTOWORE-STQMWFEESA-N 428.389 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C1CC(C(C)(C)C)C1 1760200133 VHFVLQJAZWCBJM-UHFFFAOYSA-N 425.374 4.778 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@H](C)C1 1760299025 DZPUSCJXCDVHNC-AJGMTHFWSA-N 441.620 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1ccsc1 1760324268 JJACRMCRIRLLQI-OFNKIYASSA-N 438.597 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1c(C)nn(C)c1C 1760331775 MQWLNLICCTXIRJ-UHFFFAOYSA-N 443.393 4.509 30 10 IJEE C=C(Cn1c(N2CCC(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C)c1ccccc1 1760364724 AILBUXINTUYQCV-UHFFFAOYSA-N 435.616 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(CCC(N)=O)CC2)nnc1C1(c2ccccc2)CCC1 1760416270 ZEKMHFFSKKDBFN-UHFFFAOYSA-N 449.643 4.832 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nc(C)cs1 1760419362 PJZKBEXSEGHAEZ-UHFFFAOYSA-N 425.558 4.670 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)nc1 1760419470 SMSRZZPEUNKQTO-UHFFFAOYSA-N 443.393 4.970 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1CC(F)(F)C1 1760426515 VNIJEFRPVBMNAF-UHFFFAOYSA-N 426.515 4.969 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760432317 LDIVVQPIMKEDGI-MJGOQNOKSA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccc(C(F)(F)F)n1 1760458325 DYLIDIPEDNKUGX-UHFFFAOYSA-N 425.817 4.822 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCc1nc(C)cs1 1760461515 XAHDJSOOYQFNKW-UHFFFAOYSA-N 433.585 4.541 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCSCC2)CCCCC1 1763669326 FLOJSYHQKAMTLA-NFBKMPQASA-N 444.693 4.673 30 10 IJEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C1 1765167284 AQVIRLYKZMJFMO-HNNXBMFYSA-N 426.446 4.515 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=C/C=C\c3ccccc3)n2)c1 1772723690 AKMOQIIFIMCADW-PJXZGTMWSA-N 440.594 4.952 30 10 IJEE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750623 FAPUMOSVXSCNAC-UHFFFAOYSA-N 440.563 4.919 30 10 IJEE N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1860831041 IMVMHGPZVVRSJR-UHFFFAOYSA-N 434.839 4.553 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 1860889320 HEHAQBVIWHTNRA-UHFFFAOYSA-N 438.531 4.661 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C1CCN(Cc2ccccc2F)CC1 1861178043 DREHGXJSZUYRMM-XMMPIXPASA-N 447.639 4.799 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862643083 STAUQRUZHHVPEE-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCC)c(OCC)c1 1862684479 XSIJKPAYPCTVAL-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862709576 ZHTFQMDNZOSQNE-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1862798333 HTFYKHTVRQGUBR-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)c1 1862938754 UKTKKKSXGNNWAW-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 1863132789 QWZDCRYECDAALI-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCCCCO)C1=O 1863686194 WTFVEZUPXHCOKQ-UHFFFAOYSA-N 444.616 4.668 30 10 IJEE CC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(C#N)cc1 1867184403 XETYQKQOQNUTSF-QFIPXVFZSA-N 444.535 4.721 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C 1868710066 CHNWFBLRCFRIGF-IFMALSPDSA-N 434.621 4.702 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1 1868959533 WUISASGUYFJULN-XUZZJYLKSA-N 440.534 4.972 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)[C@H](CC(C)C)c1cccc(Br)c1 1869013147 JBEXYCHZYNYMKE-WOJBJXKFSA-N 435.406 4.674 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)/C=C/c1cccc(F)c1 1870157452 DSQHBZZCJQVOCX-QPJJXVBHSA-N 435.768 4.602 30 10 IJEE C#CCOc1cn(CCCN(CC)CC)c(CN(CCCC)CCCCCC)cc1=O 1870562088 QOYBMBHONZFZCV-UHFFFAOYSA-N 431.665 4.775 30 10 IJEE C#CCOc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871008204 MCCARAFXKJRMCQ-UHFFFAOYSA-N 425.488 4.857 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871195545 VREXNIJNCLFAND-UHFFFAOYSA-N 431.536 4.787 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871251000 INGFDHUTABAWRB-UHFFFAOYSA-N 431.536 4.681 30 10 IJEE COc1cc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc(OC)c1OC 1871381834 FZCXHQTYLPGKMI-DUTWELIKSA-N 448.427 4.540 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3ccccc3F)C4=O)CC2)c1 1871397624 DGVRFVRUQVXYKV-XYGWBWBKSA-N 444.506 4.778 30 10 IJEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871401079 SWMJNXCDDVRDOE-XTBHVRTMSA-N 431.282 4.784 30 10 IJEE CC(=O)c1sc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)nc1C 1871433603 IBKYXBFGGUXEKO-JMIUGGIZSA-N 448.500 4.596 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871442091 ZDYKNVYVONOIAC-CFRMEGHHSA-N 427.456 4.831 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777535 PZFWHUYLDAQKKN-HNNXBMFYSA-N 433.405 4.598 30 10 IJEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(C(C)C)C3)n2)cc1C(C)C 1872779244 FJVAYRNUNVXXAZ-LPHOPBHVSA-N 439.581 4.684 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3ccccc3CC)[nH]c2c1 1872816764 UTEPVGLSLWZPTM-UHFFFAOYSA-N 434.565 4.670 30 10 IJEE CCCCCCN1CC(=O)C(c2nc(-c3ccc(Br)cc3)c(C)s2)=C1N 1873528262 OJWPFXYGAZJXQV-UHFFFAOYSA-N 434.403 4.973 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1ccccc1OC 1874228668 VPPFOFCERBTSPW-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE Cc1ccccc1CCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccco1 1874359881 DGGGAUMOCWGNGG-PCLIKHOPSA-N 445.548 4.578 30 10 IJEE CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874382200 CUPMODOAYSHUNN-PCLIKHOPSA-N 444.516 4.680 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccco1 1874392106 DKXGNHHQKHRRPF-SYXCRGJESA-N 431.521 4.636 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 1874426847 DIBBIZIVNOPLGN-AFUMVMLFSA-N 432.480 4.957 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(C)c1 1874429507 NAHRLPGQMGYGJN-KOEQRZSOSA-N 435.597 4.876 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 1874445622 GTVYVTPCWUOFOO-RYEBZEHMSA-N 434.565 4.911 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc(Br)ccc1F 1874446723 JJJVSRQYFNEXQB-FULVDIRDSA-N 425.327 4.582 30 10 IJEE CC(C)(C)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874484103 FTJRJIZHOAAWCW-SSDVNMTOSA-N 429.477 4.503 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cc(Cl)ccc1O 1874511806 BNULMBQQXZZJKM-FOKLQQMPSA-N 443.960 4.682 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(F)cc2F)c1C 1874517873 OXRDXDWJQLXLTN-OPEKNORGSA-N 441.507 4.664 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)cc1OC 1874589062 QVAPKXPJFHKJJS-AATRIKPKSA-N 439.291 4.767 30 10 IJEE Cc1cc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)ccc1F 1874706532 MZKMCVMCSCXITP-RMKNXTFCSA-N 432.447 4.950 30 10 IJEE CN(CC#CCNC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)Cc1ccccc1 1891787617 VANUDCRFNYFNHS-UHFFFAOYSA-N 449.554 4.679 30 10 IJEE C=CC[C@H](C)[C@H](NN)c1sc(Br)c(Br)c1Br 1903161885 TUQLNJXQNWUWFU-XNCJUZBTSA-N 433.007 4.752 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)C1 1963191606 QFZGIYFPQJVIMQ-OSWQYVSFSA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](COc1ncnc(Cl)c1C#N)C1CC1 1986473182 DOAVPIIWDPPQSA-GOSISDBHSA-N 428.920 4.596 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(CCOC)CCCN1C(=O)OC(C)(C)C 2023624754 PFMUCYMOCDHCSL-RCZVLFRGSA-N 432.605 4.544 30 10 IJEE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@](C)(O)C(C)(C)O)C[C@H](O)C[C@@H]1O 2053589018 KRGCLKZOZQUAFK-QOLMJBTJSA-N 444.656 4.842 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn(Cc2cc(F)ccc2C(F)(F)F)c1Br 2080226317 OGFAAPDVYFTBIW-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)cc2C#N)C(F)(F)CC1 2092408648 WAHKJSAJMRWRHQ-OAHLLOKOSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Br)c(C#N)c2)cs1 2124395186 CGGXXIIEHDQGGG-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1F 2124521357 FWMPHVFZTNOTPJ-INIZCTEOSA-N 448.344 4.871 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2F)C1(C)C 2127899025 JOJAZJAOJKQDOR-GXTWGEPZSA-N 426.330 4.811 30 10 IJEE CC1(C)OB(c2ccc(CNCc3cc(Cl)cc(Br)c3)cc2)OC1(C)C 2151196119 QFNKUNBKYTZIEE-UHFFFAOYSA-N 436.586 4.692 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(CNc2cc(Br)cc(F)c2C#N)CC12CCC2 2163690544 VJFMQRXUKNLYLO-HXUWFJFHSA-N 438.341 4.957 30 10 IJEE CC(C)N(Cc1cccs1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172775154 XSZIDCLGYKSKFS-UHFFFAOYSA-N 437.212 4.620 30 10 IJEE C[C@H](CC1CCN(c2cc(Br)cnc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203609857 OUBFZXGDYUKGPA-CQSZACIVSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](N)(C#Cc3ccccc3Br)C[C@@H]21 2235729417 SZMGQPKMGIEBNT-ZWCUEREDSA-N 433.390 4.698 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1CC 2235748081 WJONHLXCEROXPY-JUXOCIIHSA-N 435.406 4.862 30 10 IJEE C#CC[C@@H](C[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237418267 JAVLLVYJLLVOCZ-VDGAXYAQSA-N 435.406 4.652 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2255524681 TYWBJECCHAUNRS-UHFFFAOYSA-N 425.353 4.813 30 10 IJEE CCC(CC)(CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)N(C)Cc1ccccc1 2255801040 JBQDWPZBCCQHAS-UHFFFAOYSA-N 428.426 4.810 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1F 2255823867 YYKWDNXEVRFELZ-UHFFFAOYSA-N 438.280 4.877 30 10 IJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2256738320 DRUPABOVMUCKFM-BJKOFHAPSA-N 441.660 4.986 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2258090185 IPSZMPXOEMHHTL-PPTVRYRNSA-N 448.568 4.900 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2258098609 CWKWDBHTTVRDMV-PPTVRYRNSA-N 448.568 4.900 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296219496 OWJGEZVFMDTTJL-PKOBYXMFSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2296222277 QHOUXMYJDAKJPJ-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2296277681 VMMBFPTZHAYDGY-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296301428 UORJBJPRBRHDJF-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2296302873 OXTBUALYNRGPNA-RTBURBONSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296310043 DOVPUPPCBSBJFC-RNQOJCNYSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2319668330 FXJYCSSRRBUWJH-HSZRJFAPSA-N 430.354 4.732 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2N=Cc2cccc3ccccc23)o1 2321000214 IECDVBOBMDZECG-UHFFFAOYSA-N 434.521 4.938 30 10 IJEE Fc1cccc(Cl)c1C=Nn1c(S)nnc1CCCOc1ccc(Cl)cc1 2322236364 ZOOPIAHNRMLWIM-UHFFFAOYSA-N 425.316 4.907 30 10 IJEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2322948949 BMTKTCUCBWRXJP-UHFFFAOYSA-N 429.472 4.662 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1ccccc1Cl 2323400505 QIKXKIYVWFIINM-UNMCSNQZSA-N 435.008 4.572 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c(C)c1 2324080566 IGGJUVBEFYTZIL-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc5c(c4)OCO5)cc(C)c3C2=O)cc1 2325182498 UYYBMGNURBLIHK-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)c1ccc(NC(=O)C2CC2)cc1 2325648553 BUGAICXPRQVYAV-UHFFFAOYSA-N 445.496 4.975 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc(F)c1 2326252281 RHLOWEXZAZECIX-UHFFFAOYSA-N 440.544 4.988 30 10 IJEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)c(O)c1 2330398799 PMCJHORCZLBJCN-UHFFFAOYSA-N 436.562 4.559 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccc2ccccc12 2330800240 JFOYPIQQYDXEHY-UHFFFAOYSA-N 437.613 4.863 30 10 IJEE CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccccc1OCc1ccccc1Cl 2330884497 YJOIQTODOSZERP-IBGZPJMESA-N 428.945 4.966 30 10 IJEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331562565 RUZFMDAMPQFFHE-UHFFFAOYSA-N 439.370 4.754 30 10 IJEE CCCCOc1c(Br)cc(C=Nn2c(CCC)nnc2SC)cc1OC 2331618346 RFTGYJDEFPOMNH-UHFFFAOYSA-N 441.395 4.785 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1OC 2339680664 ZFHHOQWHPFLZJH-DLBZAZTESA-N 427.383 4.886 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](Nc1ccc(C#N)c(Br)c1F)[C@@H]2F 2358237644 MQMLHCQQBYTUGR-DSRCVFDASA-N 442.304 4.750 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 2360196344 OWELTZBNOWMSDL-LZNRXBQRSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@@H](N)C#Cc2ccccc2Br)C1(C)C 2370440639 QLCDZQWOLFPMEX-ZIFCJYIRSA-N 435.406 4.848 30 10 IJEE N#Cc1ccc(N[C@@]2(C(=O)O)CCCC[C@@H]2OCc2ccccc2)c(Br)c1 2377845527 JUWMDXPYPXHKOS-FPOVZHCZSA-N 429.314 4.715 30 10 IJEE Cc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 3041580 UHHOXWHBLJGGTQ-QLYXXIJNSA-N 434.952 4.886 30 10 IJEE COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2ccc(C#CC(C)(C)O)cc2)cc1 12298422 HPFCNLCTTVEXFX-RUZDIDTESA-N 443.591 4.807 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1OC 21950244 LTUZQCLGFVFAQK-UHFFFAOYSA-N 431.514 4.795 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1 34954229 KIFHLGVAEJDUMQ-BJMVGYQFSA-N 432.428 4.548 30 10 IJEE COc1ccc(OC)c(-c2c(C#N)c(SCc3ccccc3)nc3c2CN(C)CC3)c1 40570101 ATFFAQLYVBKSEN-UHFFFAOYSA-N 431.561 4.918 30 10 IJEE COc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 59433574 BNMJOCQWHXCHFJ-FYJGNVAPSA-N 448.504 4.903 30 10 IJEE CCn1c2ccccc2c2nnc(N/N=C/c3ccc(OCCC(C)C)c(OC)c3)nc21 64981614 HMXZBCSMWWNFHZ-MFKUBSTISA-N 432.528 4.879 30 10 IJEE C[C@@H](Oc1cccc(C#N)c1)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 110633320 XEWIKURAMAZWJO-HXUWFJFHSA-N 436.515 4.554 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 169963353 BGPKHLFXZDSZLL-OAQYLSRUSA-N 430.847 4.700 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccn2)c1 169990706 CKKSZKDHHDHZTN-NRFANRHFSA-N 434.879 4.917 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccc(F)cc1 170065863 MNMALYKHDLTJIF-QHCPKHFHSA-N 441.462 4.804 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170075998 IDODJBHLKINAFJ-FDDCHVKYSA-N 430.504 4.542 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(C)o2)c1 170099647 RHQPBUGOKWFBOO-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccc(C)o2)c1 170100649 HPMDPLMQEBRRHR-JOCHJYFZSA-N 431.444 4.716 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)o2)c(C)c1 170102754 VJFVJQBFOUCZOQ-QHCPKHFHSA-N 449.478 4.865 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170117140 ANFJFHZCIJGNEZ-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170220151 RSNYYYVEIDQPIS-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c[nH]c2ccccc12 170256059 CKYRSFHHZPAKFM-OAQYLSRUSA-N 433.464 4.845 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1C 170274945 YOLDEMRUDBVQDJ-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(C)o2)cc1C 170299445 OWSPHOWHZDIVQZ-NRFANRHFSA-N 439.414 4.966 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2ccncc2)o1 170307807 VXOXJCRWPGVQIP-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)o2)cc1Cl 170310513 VEWJSYFPJVPIRA-HXUWFJFHSA-N 447.915 4.643 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(N(C)C)cc2)c1 170446785 MBMNAHPSOLYVGW-XMMPIXPASA-N 436.552 4.662 30 10 IJEE O=C(OCCCCSc1nnc(N/N=C/c2cccc(Cl)c2)[nH]1)c1ccccc1 253570871 OEUVFGRQMWXAHU-HYARGMPZSA-N 429.933 4.633 30 10 IJEE C[C@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 507681621 DTYCRTUULIZBQJ-HRAATJIYSA-N 430.533 4.620 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2nc(C)cs2)C1 508462178 TUIKKLQKGUWFKZ-INIZCTEOSA-N 436.368 4.781 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)o2)cc1 524380541 JZZUAZKDYQTXAI-UHFFFAOYSA-N 438.430 4.692 30 10 IJEE O=C(Nc1cccc(Cl)c1)NC1CCC(OS(=O)(=O)c2ccc(Cl)cc2)CC1 586506057 MKFMZUWWWBWIHC-UHFFFAOYSA-N 443.352 4.832 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)N[C@@H]1c1cnn2ccccc12 729662855 YQKGEJFYIXLGTH-RUZDIDTESA-N 436.515 4.910 30 10 IJEE N#Cc1cccc(OCC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 752305484 ONAPXUAPIYBLPB-UHFFFAOYSA-N 430.851 4.965 30 10 IJEE CN(C(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc1)c1ccccc1 757849954 SIQASOVPZYONSK-UHFFFAOYSA-N 434.879 4.876 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 804457281 RNGUMWMBBWGISG-IBGZPJMESA-N 440.469 4.774 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)n1nnc(-c2ccccc2)n1 1124169340 HOASXPOKAQYEGA-GOEBONIOSA-N 434.569 4.624 30 10 IJEE C=CC[C@]1(C(=O)NCc2cccc(OCC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1125124770 HFDMTGITGYAOBM-OAQYLSRUSA-N 442.478 4.590 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccccc1 1127300441 CNEWIOVFUOZPHK-KRWDZBQOSA-N 436.249 4.637 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2cccc(F)c2)cn1)[C@H](Cc1ccccc1)C(=O)OCC 1128110559 BPVSNDVHYJXEJA-XMMPIXPASA-N 448.494 4.816 30 10 IJEE C=CC1(CC(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)OC)CCCCC1 1128782829 AXOLVKKIVHZEGD-IBGZPJMESA-N 447.373 4.657 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1csc(-c2cc(Br)cs2)n1 1128964984 CFRKNAJZUFBZTE-UHFFFAOYSA-N 432.324 4.961 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@H]3C2)ccc1Cl 1134841843 CPCUBNHXNXWJQB-KDURUIRLSA-N 444.984 4.593 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(OC)ccc1OCC(F)(F)C(F)F)c1ccccc1 1134862137 PJINCQHQGBEOCF-PMERELPUSA-N 445.434 4.828 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1 1136364734 VBMMFZXMBGHCCH-UHFFFAOYSA-N 428.504 4.791 30 10 IJEE C#CCCN1CCC(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CC1 1147842821 BFBXOHNFUMJGKG-UHFFFAOYSA-N 435.618 4.685 30 10 IJEE Cc1cc2c(NC(=O)c3cnc(-c4ccccc4Br)s3)n[nH]c2cc1C#N 1164586941 FYFCYUKKICGZOJ-UHFFFAOYSA-N 438.310 4.881 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 1179837068 QFVPJWWKGPBOSM-GOSISDBHSA-N 448.972 4.720 30 10 IJEE O=S(=O)(Cc1c(F)cccc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 1185271074 BLRMJQNNVWNZQX-IUCAKERBSA-N 441.796 4.808 30 10 IJEE CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@@H]1c1ccccc1 1187778272 FYJUJSWNNALGEU-KXBFYZLASA-N 433.371 4.525 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1201298415 MOHCOSPHLDCDKP-UHFFFAOYSA-N 443.522 4.777 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2cc(-c3nc4cc(F)ccc4n3C(C)C)ccc2C)CC1 1215466987 DHEQNTVJDMZFOI-UHFFFAOYSA-N 434.515 4.724 30 10 IJEE N#Cc1cc(NC(=O)N2CCc3c(Br)cccc3C2)ccc1OC(F)(F)F 1217007644 ABWQKKXXGPUQIQ-UHFFFAOYSA-N 440.219 4.810 30 10 IJEE Cc1cccc([C@H]2CCCCN2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C 1226111114 HPRZKSFZEYQEME-BJKOFHAPSA-N 430.552 4.607 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C 1251831145 SHJFORXQYHVBNJ-KSEOMHKRSA-N 429.605 4.899 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)c1 1275230129 AAQKXJZFOIODBY-UHFFFAOYSA-N 435.524 4.690 30 10 IJEE COc1ccc(Br)cc1-c1nc(C(=O)Nc2cc(C#N)ccc2F)cs1 1275425328 HKUFARPOIHLWNC-UHFFFAOYSA-N 432.274 4.844 30 10 IJEE C#C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(Br)cc1 1275463061 HYATXLREBAODBJ-IBGZPJMESA-N 427.323 4.589 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(C)CCCO1 1286454457 XSGBTHJGPAIAIH-WZONZLPQSA-N 430.980 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1csc(CC)n1 1286527512 LMQFHLLXEMUYNA-JOCHJYFZSA-N 441.988 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1ncc(CC)s1 1286528995 QLYGFXOGMKDASW-HSZRJFAPSA-N 437.638 4.938 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C)c1 1286614075 KBEPYUOLEHDMKI-FGZHOGPDSA-N 426.605 4.734 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1286640856 ONLPGGRKAOKOTK-AZUAARDMSA-N 443.389 4.845 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1286649999 TYYMGOWEPYMJPY-WOJBJXKFSA-N 444.023 4.787 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC[C@H]2CCOC2)CC1 1286651747 KGSJERVFPACSEW-CTNGQTDRSA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1286689492 RXRBKQTVTAUPDT-DEOSSOPVSA-N 430.600 4.725 30 10 IJEE C=CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286728904 ICZWJNHUJLTRJC-TZIWHRDSSA-N 426.605 4.752 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1C[C@@H](C)O[C@H](C)C1 1286766689 VSBHWKUSBLMRID-HZPDHXFCSA-N 436.959 4.580 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1286767359 PUMVXRLSJMJMNK-UHFFFAOYSA-N 449.555 4.895 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)c2ncc(C)s2)C1 1286808372 VYKANLBFLOKIBW-WIYYLYMNSA-N 437.613 4.527 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 1292215450 HVADZVSRLOYJCJ-LJQANCHMSA-N 449.979 4.642 30 10 IJEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 1292271693 HFMLXWJRXJJFMF-UHFFFAOYSA-N 435.494 4.537 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(=Cc2cccc(OC)c2)CC1 1294543973 KXIYBJKXVQMXBP-JOCHJYFZSA-N 428.573 4.951 30 10 IJEE C=C[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1294989593 YWALAGZTRHELSY-BCHFMIIMSA-N 440.543 4.827 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Cl)s1 1298593015 COUYYCAQUFOQPG-UHFFFAOYSA-N 425.867 4.969 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OCC)c1ccccc1 1300790849 XVEPWIBDNXLRDL-HYBUGGRVSA-N 435.959 4.763 30 10 IJEE C=C(Br)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cccc(OC)c1 1300863845 VCUHQPIIDABQRP-UHFFFAOYSA-N 443.349 4.603 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC2CC2)CC1 1300928604 ISNFFJOVSWWCGG-LJQANCHMSA-N 444.023 4.796 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1300996313 CTBBQECSTSOSQC-OAQYLSRUSA-N 438.616 4.681 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1301097367 VFPYNBSSUQAQHO-VGSWGCGISA-N 433.021 4.931 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1301127104 YOTYQQNUEWMFKE-DNQXCXABSA-N 437.632 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301145925 MJSUFJIZZNAOIC-MAUKXSAKSA-N 438.494 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[C@H]21 1301147880 IIAXXSJNPUZXJT-WOJBJXKFSA-N 443.636 4.984 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1301177134 UBVQAXSCTDVYLS-UHFFFAOYSA-N 427.499 4.808 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](CC)C1 1301197926 SIKLBYJTMRTXJG-ZCNNSNEGSA-N 447.624 4.710 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1CCCCO1)C1CC1 1301320813 OEMBONZVYWXDLZ-QGZVFWFLSA-N 449.368 4.961 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC1(SC)CCOCC1 1301351371 QYBFLVLMGUAKBS-UHFFFAOYSA-N 441.576 4.517 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)c3c(O)cnc4c(Br)cccc34)CC2)cc1 1304192676 FCANSPZGBMBYKE-UHFFFAOYSA-N 436.309 4.594 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1306268766 HAGZSYZYTLBXNB-HKFAVZMWSA-N 433.556 4.559 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)nc1 1311543152 HLNSGEPMFIKBFG-DDJHWDJXSA-N 440.547 4.926 30 10 IJEE C#CC1(O)CCN(C(=O)NCc2ccc(Cl)cc2Oc2ccc(Cl)c(C)c2)CC1 1313221266 WSZIPYPYFNDIEE-UHFFFAOYSA-N 433.335 4.764 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CC[C@@H]1CCO[C@H](C)C1 1315660235 BRXOOJMJKNFWAN-GUDVDZBRSA-N 443.617 4.523 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1c(Cl)ccc(I)c1F 1348776462 MHCMDCJVRHYGFQ-UHFFFAOYSA-N 435.689 4.974 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H]2C[C@@H](OCC)C2(C)C)nnc1-c1ccc(Cl)cc1 1354208775 YLTRZRAODWRFQS-ZWKOTPCHSA-N 449.020 4.539 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1OC 1357768704 JYNWGOFTMAASRX-MPNRVQBSSA-N 447.362 4.975 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)nn1-c1ccc(C)cc1 1358458709 DXXTVTNEDFFMIT-UHFFFAOYSA-N 437.341 4.867 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1358917164 IPGNAWKQXCUGKZ-KDURUIRLSA-N 430.543 4.951 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)CC=C 1358987325 BSPFFWGDOHAHJL-UHFFFAOYSA-N 443.364 4.912 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)[C@H](C)CC 1359004165 MGGRNRKFVMZAKM-DNVCBOLYSA-N 433.394 4.537 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOCCC(C)C 1359063794 DKCOLIAZWCSEDN-NTKDMRAZSA-N 428.552 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCC1CCN(CC)CC1 1359068312 WDOHAZHCEOVSFA-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)N1CCCCC1 1359108554 SRSTYQAHGPLMMV-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)CC1CCC1 1359214022 PIPQYHLFNDEMBJ-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(F)(F)F)n1 1359258502 SGRVPHAXGQRBND-UHFFFAOYSA-N 438.457 4.928 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(CC)CCOCC2)C1 1359315714 ALJZQTGNLVIHLJ-FQEVSTJZSA-N 430.980 4.587 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C 1360643785 AGSIDSWXWIQEIU-SFHVURJKSA-N 441.385 4.680 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)nn1 1435123615 VFHSDGGYEQKALM-UHFFFAOYSA-N 430.295 4.666 30 10 IJEE C=CCN(C(=O)[C@H](C)c1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1435899869 LFOVTHZRAUTZCS-UTKZUKDTSA-N 444.369 4.742 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3c(ccc(OC)c3OC)[C@H]2CC)cc1OC 1437385864 GLASDLNTLOWSLK-XYJBSGBBSA-N 437.536 4.826 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c(Cl)c1 1439804810 WVAYTIYQYKQBBO-UHFFFAOYSA-N 438.896 4.545 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 1442727286 WDIYGAKPTVZHET-MRXNPFEDSA-N 447.967 4.744 30 10 IJEE C#CCN(CC#C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1456739850 UDNVJPZVSOODSL-UHFFFAOYSA-N 438.918 4.509 30 10 IJEE COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2ccc(C#N)cc2F)c1 1457757391 DBOYVYUCUNIVEY-UHFFFAOYSA-N 441.871 4.936 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1C 1459605397 DBSGTOCDKGJEDE-JTHBVZDNSA-N 439.625 4.980 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21 1459978609 BESIDNHJQBPCCR-NJDAHSKKSA-N 428.374 4.717 30 10 IJEE C#CCN(C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@H]1CCCc2ccccc21 1463020378 SNRBYAXNDVVWCY-ZEQRLZLVSA-N 432.564 4.867 30 10 IJEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 1464140631 CIKANEJCQVFIQN-IBGZPJMESA-N 425.916 4.801 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1464798292 AKINARUOEUROPP-UHFFFAOYSA-N 434.337 4.826 30 10 IJEE CCOC(=O)Cc1cccc(N(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c1 1465223009 DBGCYRNPMHEUEA-UHFFFAOYSA-N 430.464 4.519 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 1465614292 WXROHBRCKFGPEY-JOCHJYFZSA-N 434.561 4.969 30 10 IJEE CC(C)c1ncc(CN(C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cn1 1466519676 CHZFTZCBSWYWOO-UHFFFAOYSA-N 431.544 4.619 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCOC[C@@H]1c1ccc(OC)cc1 1466816302 IUCJNTRLDDJFPD-LJQANCHMSA-N 447.329 4.628 30 10 IJEE CC(C)(C)[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccc(F)cc1 1468083725 CFAUYXKMWNGDBE-OAQYLSRUSA-N 428.939 4.970 30 10 IJEE C/C(=C/C(=O)N(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F)C1CC1 1471800593 MPVJYSXFIHTFLX-HJWRWDBZSA-N 449.285 4.515 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1472275716 RQRNPEXEZKNGFC-YVGXBJCXSA-N 434.602 4.899 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)cc1 1475950225 FGWLETIWZFVMPF-DNQXCXABSA-N 430.552 4.645 30 10 IJEE C=CCC1(NC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)CCCCC1 1476338062 ZWMAHCWITXYNFL-GOSISDBHSA-N 428.577 4.864 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)S[C@H](C)C1 1507573381 GCSSJKPPEMMRQI-HDICACEKSA-N 430.643 4.713 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507749816 YASOJPWZVXVDDP-KDURUIRLSA-N 436.581 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccccc2O[C@@H](C)C1 1507910391 QDVPDDFPHSSVMH-SFHVURJKSA-N 439.604 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCSC(C)(C)C1 1507911206 JJMGPTTUMUGSMN-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC2(CC2)C1 1507926628 HPIBOWUWOIKSIM-UHFFFAOYSA-N 426.561 4.708 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CCC)C1 1508005516 XSHQZYAUBGEWHJ-HSZRJFAPSA-N 430.600 4.573 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCc2nccn2C1 1508012471 XUEXYBOCHHDTLN-FQEVSTJZSA-N 430.600 4.880 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1508050679 JYGJGSVFNJBGFZ-MRXNPFEDSA-N 436.869 4.841 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](OCCC)CC2)cc1 1508101302 XBOSSXIHVKQSMZ-JOCHJYFZSA-N 447.583 4.739 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2c(CC)noc2C)C1 1508119025 ZDUMZFXLIFITSM-RTWAWAEBSA-N 435.572 4.508 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC[C@@H](C)C2)C1 1508119276 ZRZSQXBPKMYOIK-VQQMMKBISA-N 428.552 4.775 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 1520377064 DZZCGDLDEYLVGZ-SFHVURJKSA-N 434.948 4.969 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C(F)(F)F)cc1 1521344409 STUVVIBNHUNZRR-QUCCMNQESA-N 433.401 4.506 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@@H]2C)c1 1524420890 MTUUBNKVBLWADP-PKOBYXMFSA-N 447.000 4.887 30 10 IJEE C#CC[C@@]1(C(=O)NCCCc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1524741741 CLUIIKCAVQTPIG-QFIPXVFZSA-N 439.383 4.835 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)C[C@@H]3CC(=O)Nc4ccccc43)c2)cc1 1525809842 HSACCYDJEMXONW-HXUWFJFHSA-N 425.488 4.786 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cc1OC 1527800912 JPXZUECNCCIGAU-FNORWQNLSA-N 446.906 4.541 30 10 IJEE Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1ccc(C#N)c(F)c1 1528987489 CIRWZAZTUQRUSQ-UHFFFAOYSA-N 431.298 4.666 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)c1 1534303437 VUWQRYAADKOKAA-UHFFFAOYSA-N 448.526 4.540 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc4c(c3)OCCO4)c2C#N)C1 1534339676 ATDAQBQPCLUFDT-AWEZNQCLSA-N 428.579 4.883 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(C(F)(F)F)cc1 1534432794 DKQAUVZXWJKYMK-FGZHOGPDSA-N 432.486 4.730 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)CC(C)C)c1 1534459184 JRFORFVDJMZSIX-QGZVFWFLSA-N 434.989 4.886 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1539148534 PUNZAQRRWSQDBZ-WFXMLNOXSA-N 430.980 4.592 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cnccc2OC)CC1 1539829141 UJDHRWVLBNSKRR-QGZVFWFLSA-N 439.947 4.680 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1539855123 PAXGAMWPPBFHLX-FQEVSTJZSA-N 441.576 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2CCCCO2)CC1 1539875759 VPUCIBWOKVCCII-LJQANCHMSA-N 432.515 4.908 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1539917051 QOSLOBQUWGHRIX-SFHVURJKSA-N 428.602 4.545 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1539939962 MMZAAZSNHDCRAX-WOJBJXKFSA-N 437.613 4.797 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCCOC2)C1 1539952288 AQLSYAKDGMVNLD-DVECYGJZSA-N 428.552 4.920 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1539986471 ZTGVBXVVVKLKLD-UHFFFAOYSA-N 437.544 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCCC1 1540153737 KBTCRTASMOMNQG-LJQANCHMSA-N 425.646 4.796 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2csc(C)c2)C1 1540884664 SXANKRIIFZDZTQ-DYESRHJHSA-N 442.560 4.757 30 10 IJEE CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1ccc(C#N)cc1OC(F)F 1560052423 FSGZCZFIOVBGJM-QGZVFWFLSA-N 443.277 4.730 30 10 IJEE C#Cc1ccc(NC(=O)NCc2c(Br)cncc2Br)c(Cl)c1 1563326861 PKXPPCWYGZLGDN-UHFFFAOYSA-N 443.526 4.563 30 10 IJEE CN(C)C(=O)C1(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCCCC1 1583130316 CRGYCRKEBQWSEO-UHFFFAOYSA-N 425.916 4.525 30 10 IJEE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1587496035 CFEZHMLGPZWWGH-LVXARBLLSA-N 425.532 4.530 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1587792961 DVJMVUQKCZYBCP-XMMPIXPASA-N 442.629 4.778 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(Cl)s1 1587937337 KHWRQRYSJREDNM-UHFFFAOYSA-N 435.778 4.849 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](SC)C(C)(C)C 1588166443 GTIJJXVJGVOHHE-FQEVSTJZSA-N 426.655 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC=C)c1ccccc1 1588200416 ORXRAYQTLLEJEA-JOCHJYFZSA-N 429.955 4.816 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCO[C@H](C)C1 1588481874 MUNLWCXNKKUIKR-NHCUHLMSSA-N 447.558 4.633 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1ccccc1 1588595081 MUYQVYRIVRTDNM-FQEVSTJZSA-N 448.636 4.850 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1CC1CCC(F)(F)CC1 1588696458 LRGDPXMFJJQZQI-UHFFFAOYSA-N 448.583 4.790 30 10 IJEE C=C(Cn1c(N2CCC(OC[C@@H]3CCCCO3)CC2)nnc1C(C)(C)C)c1ccccc1 1593795967 CSUMVFZHPWFSAE-QHCPKHFHSA-N 438.616 4.844 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1593890138 YVCUJMDAVTZUAH-UHFFFAOYSA-N 439.007 4.660 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cn(CCCCC)nc2C)CC1 1594102292 HCXVNZHQWGQPEJ-UHFFFAOYSA-N 436.579 4.908 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2cccs2)N(C)C)CC1 1594102535 QPSHDTMHRODDCI-HXUWFJFHSA-N 443.567 4.668 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2sc(C)nc2C)CC1 1594429828 BQLATTJWGBYROU-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2Cc2c(C)coc2C)CC1 1594436625 AOGXXKGNXBKCDZ-UHFFFAOYSA-N 436.556 4.916 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1594573239 PSKPBUDLINZTBZ-LZTCXMBHSA-N 438.616 4.949 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1594698204 MKDFZMBWMWGRMP-LEWJYISDSA-N 440.588 4.855 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(CC)C1 1594792990 CYJADUWBLGMTGL-NRFANRHFSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1ccco1)N1CCCC1 1594997780 OBRNTPLHIVQHCS-JOCHJYFZSA-N 435.572 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@H](c1ccc(F)cc1)N(C)C 1595157144 WEABBMHPXKFTKT-OAQYLSRUSA-N 425.577 4.852 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CCC1(O)CCC1 1595250607 IMKYPBHMDZAOKE-UHFFFAOYSA-N 426.948 4.732 30 10 IJEE COc1ccccc1OCc1ccc(C(=O)Nc2cccc(C#N)c2Br)o1 1598020683 FZFAKVXDNBQXRQ-UHFFFAOYSA-N 427.254 4.754 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)[C@H](C)CC)c1 1617393140 GYEBGAOEVFWSMQ-QGZVFWFLSA-N 434.989 4.982 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CCC3)CC2)cc1 1618179823 AQYMEBUBUAPAPE-UHFFFAOYSA-N 428.363 4.631 30 10 IJEE Cc1c(S(=O)(=O)N[C@H](CN2CCCCC2)c2ccccc2)sc2ccc(C#N)cc12 1622028960 HVNQQMHQKOUSLA-OAQYLSRUSA-N 439.606 4.587 30 10 IJEE N#Cc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1 1626645278 BDTJKXNYPKGWTE-HSZRJFAPSA-N 431.927 4.546 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)cc2n1 1626675876 IGDMBAQSZOLOBW-UHFFFAOYSA-N 446.820 4.728 30 10 IJEE C#Cc1ccc(C(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cc1 1627416897 PTTNFXVDLPUYGE-VWLOTQADSA-N 429.564 4.997 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1629484662 AKOOOTIVBYVLMD-UHFFFAOYSA-N 441.503 4.551 30 10 IJEE C=CC[C@]1(C(=O)NCc2nc(-c3ccccc3F)cs2)CCCN1C(=O)OC(C)(C)C 1635197089 PEHFRWXBEBKZJQ-HSZRJFAPSA-N 445.560 4.911 30 10 IJEE C=C[C@H](C(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1636483885 ZKANJRWBYBOSMP-WMZOPIPTSA-N 426.563 4.696 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1Cn1c(C)nc2ccccc21 1637924964 IMXJIGIOWUVKKM-FPOVZHCZSA-N 440.588 4.585 30 10 IJEE C=CC[C@@]1(C(=O)N2Cc3ccccc3OC3(CCC3)C2)CCCN1C(=O)OC(C)(C)C 1638094385 RQBYIVUJBANDDO-VWLOTQADSA-N 426.557 4.676 30 10 IJEE C=C[C@H](C)ONC(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1639677955 JKXFLVIYYCBTEF-AOMKIAJQSA-N 440.927 4.659 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2cccnc2N2CCCC2)c1 1640261828 FMFRFEMEEDUUGA-UHFFFAOYSA-N 432.911 4.929 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(-c2csc(C)n2)c1 1642518122 LTKRFROFVVRDME-UHFFFAOYSA-N 430.533 4.799 30 10 IJEE C=C[C@@H](C(=O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 1643310348 GHTCSGBLEZFFSJ-HHHXNRCGSA-N 426.560 4.880 30 10 IJEE Cc1ccc(CC(C)(C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)cc1 1643481164 HVOPVQBUTGBVGU-UHFFFAOYSA-N 432.543 4.963 30 10 IJEE CC1(c2cccc(Br)c2)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 1652925317 CAELFNTYABKPGW-UHFFFAOYSA-N 426.358 4.703 30 10 IJEE CC[C@@H](CC#N)NCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(OC)cc1 1653822492 ADQHLLGQRDLENG-JYFHCDHNSA-N 440.547 4.808 30 10 IJEE CCOc1ccc2c(c1)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CC2 1657080683 HWCNSSLVZOSMRK-UHFFFAOYSA-N 446.526 4.500 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCc3ccccc3OC2)cc1 1658869433 HYTIMLRHDQSUMJ-HXUWFJFHSA-N 429.476 4.874 30 10 IJEE CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1C#N 1661025464 CIZCONLERZLNCH-UHFFFAOYSA-N 427.751 4.573 30 10 IJEE C#CCOc1ccc(CNC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1663459229 MDUBBXFHTMQGMZ-QFIPXVFZSA-N 427.470 4.937 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1C[C@H](OCC)[C@@]12CCCO2)c1ccc(C(F)(F)F)cc1 1670826524 HHHKIRFTRFOEPA-YOUFYPILSA-N 426.479 4.739 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC)c1ccc(F)c(F)c1 1671773340 ZOAKBHZRGPSYJP-SFHVURJKSA-N 437.874 4.768 30 10 IJEE Cc1ccc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1S(=O)(=O)C1CCCC1 1672118932 DEUZLSGMYCWDPV-QFIPXVFZSA-N 437.565 4.782 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(CN(C)C(=O)OC)cc1 1672209957 MACRAEXAEGGCTK-UHFFFAOYSA-N 448.317 4.856 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 1677190429 WSLGZYVQUGUQEN-AREMUKBSSA-N 426.516 4.612 30 10 IJEE C=CCN(C(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)[C@@H](C)COC 1679259213 OOCHXRUMFLCDSU-VIFPVBQESA-N 429.208 4.542 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(C(F)(F)F)cc1 1680855094 JOBAFVFNFRHTKR-OAQYLSRUSA-N 443.473 4.511 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 1681648926 QNVKASMKQSTTSD-UPVQGACJSA-N 426.495 4.981 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccc(Cl)cc1 1683676715 UGFJQBMCLZJAFK-MOPGFXCFSA-N 433.733 4.560 30 10 IJEE C#CCC1(NC(=O)N[C@H](COCCC)Cc2cccc(Br)c2)CCCCC1 1686178577 DRFJLMLSUKDOGK-FQEVSTJZSA-N 435.406 4.812 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1ccccc1 1687449778 LDNALMRCMQCUMN-HSZRJFAPSA-N 426.605 4.890 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1689943485 SOSBJSPAPCGUOE-DNVJHFABSA-N 436.600 4.960 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCSC(CC)(CC)C1 1690177380 SZRGBLUAXLWGQX-UHFFFAOYSA-N 428.671 4.656 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(Nc2ccccc2Cl)CC1 1690249296 WRKRAJDSNPUDDZ-HTAPYJJXSA-N 429.996 4.556 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1cnn(CC)c1 1690278649 KSOJCMQIJCSBMA-UHFFFAOYSA-N 449.784 4.790 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1690316232 ATHGUUHQWYYSCJ-WIYYLYMNSA-N 430.618 4.631 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCCc1ccccn1 1690328975 RRVJGFUSPHQOJP-KRWDZBQOSA-N 429.927 4.774 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690367427 OILOWMUOJHFURS-IAGOWNOFSA-N 432.515 4.907 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1690380396 NBBUMPZFJWVLID-XMMPIXPASA-N 431.584 4.891 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1690415664 SYHVYRMRYSOVPN-UZUQRXQVSA-N 432.996 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690422374 MZXARWIJHJRKKD-OAQYLSRUSA-N 433.556 4.609 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1690462728 NSBAFALGUBXYJR-UHFFFAOYSA-N 442.007 4.908 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690472457 OATZPLJJUJZEGI-SJBKTWHCSA-N 425.621 4.920 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCSC(F)(F)F 1690579213 IPFDUZARAYRXGO-UHFFFAOYSA-N 439.532 4.771 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1SCCc2ccccc21 1690598983 HYXSUPQRIWPQOJ-OAQYLSRUSA-N 437.638 4.843 30 10 IJEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1696762628 AQDCQLZOTMYOIM-FDYSRKEFSA-N 447.505 4.658 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705520722 DHFIZYNFCIEBBC-UNMCSNQZSA-N 438.616 4.962 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H](C(C)C)N1CCCC1 1705620017 JKPKTGIXBJRYRE-HSZRJFAPSA-N 439.623 4.766 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(CC)CC)N(C)C)CC1 1705782903 LRTRSSVXNQTQOO-QHCPKHFHSA-N 427.612 4.777 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705793662 FQDHTTBQUOAGPQ-LJQANCHMSA-N 443.661 4.664 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@H]1C(=C)C)C1CC1 1705851107 UZURQHOSLJLSHY-IERDGZPVSA-N 428.964 4.743 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC(F)(F)CO1)C1CC1 1705858484 ODSUTDRYLBTVHG-HXUWFJFHSA-N 446.542 4.734 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2cccs2)C1 1705921296 PICZFATZFKRZPA-MRXNPFEDSA-N 432.952 4.823 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCO[C@@H](C)C1 1705942567 XBFBBMNUWGBFSV-IRXDYDNUSA-N 432.659 4.666 30 10 IJEE CCCN1CCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1709798333 CVWDVAAJFSBZMQ-JCYRPKCISA-N 434.632 4.824 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCOC1CCCCCC1 1711072572 DTVGISSPOILRDD-UHFFFAOYSA-N 430.556 4.588 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCC(C)(C)C1CC1 1722376062 JRPWFAHFXKTNEA-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1nc(C)c(C)s1 1722380215 WGVBZXNPHKIHOE-UHFFFAOYSA-N 431.609 4.631 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1ccc(C)o1 1722483451 AAOOMKFGEKHWOZ-UHFFFAOYSA-N 438.329 4.940 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2nccs2)C1)c1ccccc1 1722596995 PPYUHIIZNXYMFZ-RTWAWAEBSA-N 437.613 4.871 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722601730 LKOKMMDSOXKNAY-UHFFFAOYSA-N 448.493 4.699 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCOCC1 1722613204 WEAIGLWYJFVTAL-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)C(C)(C)C1 1722621281 QOEPRUYSDMZKPQ-SFHVURJKSA-N 439.387 4.991 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@H]1C 1722655143 GJPKKKFUOULBPP-GCJKJVERSA-N 431.540 4.583 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722734647 FZTMUQBTZJCDOV-FQEVSTJZSA-N 425.602 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCN1CCCC 1740533719 CRYLEQCVKPZIPI-HBMCJLEFSA-N 441.595 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C(C)C)cs1 1740536198 ANZUMEQAJRQLKD-AWEZNQCLSA-N 431.512 4.633 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(C)cs1 1740567201 IANSZKHSJDRSAL-UHFFFAOYSA-N 432.391 4.846 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1740577910 SSOYNYXSLHWLSF-AREMUKBSSA-N 429.568 4.859 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1cn(CCCCC)nc1C 1740648788 RKHODQRHGBEGSH-UHFFFAOYSA-N 449.002 4.805 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1occc1C 1740650589 GPOMLCLODGSCQS-UHFFFAOYSA-N 430.552 4.783 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H]1C 1740765212 RLMRNYLDKBHYBQ-MJGOQNOKSA-N 429.996 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC1CCCC1 1740768994 DZCYVNWLAWZIRK-UHFFFAOYSA-N 430.618 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1ccnc1C 1740772091 IGDQJVQQJNZMEF-UHFFFAOYSA-N 431.544 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1740776876 FETXIJHNYQCMID-QKNQBKEWSA-N 429.634 4.677 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740860273 YKFSQKGBHPGITM-UHFFFAOYSA-N 435.572 4.789 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CCOc1cccc(C(F)(F)F)n1)C1CC1 1740912919 XAASPIZSWHHRME-UHFFFAOYSA-N 449.502 4.578 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCO[C@H]1C(C)C 1748876894 XXNIZQMVNSAEHG-AVRDEDQJSA-N 442.966 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nc(C)c(C)s1 1748913038 OOSRKBBBKLELNA-UHFFFAOYSA-N 444.608 4.934 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N1CCCCCC1 1748917971 SKSUBKHZHUAIOG-UHFFFAOYSA-N 448.398 4.504 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC=C(C)C1 1749120086 ADUFFMLQUYEYFJ-ICSRJNTNSA-N 443.389 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(N(CC)CC)CC1 1749123448 DPTBQBIOIVTCBG-URXFXBBRSA-N 437.632 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCc2cc(OC)ccc21 1749163083 CEZCFFCQPNQGLV-QFIPXVFZSA-N 431.584 4.795 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)[C@@H]1C 1749256793 CJMSAPSFAKHORU-WDEREUQCSA-N 433.828 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cnccn1 1749356234 ZGBDWQGYNGNCIW-UHFFFAOYSA-N 427.556 4.830 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cncn2)C1 1749359670 MPNVQZRPCRIJOM-QGZVFWFLSA-N 425.968 4.634 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1749448370 ZCWSSIMUMYHPJN-CALCHBBNSA-N 433.394 4.701 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1CCc1sc(C)nc1C 1749545068 RQQQPPVOUTXDDN-UHFFFAOYSA-N 425.577 4.878 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1749557366 HWMFIXHVPXDKML-DHIUTWEWSA-N 436.648 4.911 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCS2)c1C 1751317316 COWKPRYJPPWYBG-ICSRJNTNSA-N 425.602 4.671 30 10 IJEE Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCc1ccc(Br)s1 1751887351 DXRMGZAJFDDAGS-UHFFFAOYSA-N 442.386 4.694 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCC[C@H]1CC 1760216320 JJCZZBNUZZEOKM-IFMALSPDSA-N 427.552 4.889 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1760277296 GLBVJNYZRLZTHB-KSSFIOAISA-N 449.393 4.592 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1760306624 GXJPAZDYKLLPEG-HNNXBMFYSA-N 436.423 4.857 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1760343162 CFWIGVOUZAAYBG-IBGZPJMESA-N 435.538 4.794 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1nccs1 1760368956 CHGPTABKEHJHHJ-UHFFFAOYSA-N 441.944 4.963 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760379099 IIBQSYMQVZLQTL-QFBILLFUSA-N 441.790 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCOC1 1760409352 RUDRKTUOUMLIED-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1760412270 YZCVIDKEOALTHZ-YADHBBJMSA-N 426.568 4.994 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1Cc1ccccc1 1760491552 LCEPFZOOLPTGFZ-QFIPXVFZSA-N 449.002 4.837 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C#N)CC1)OC 1764022671 CYFGZLVJJSHKRW-UHFFFAOYSA-N 431.968 4.552 30 10 IJEE CC[C@@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)N1CCc2ccccc2C1 1764282093 GGRYLOJVTFRXPL-BKMJKUGQSA-N 434.632 4.543 30 10 IJEE CCOc1ccccc1NC(=O)CSc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1 1860463745 QKZOCNWMBYADAT-UHFFFAOYSA-N 440.912 4.504 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC)c(OC)c1 1862437520 SPQAIQQADFYXLB-RBZFPXEDSA-N 429.900 4.734 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1862446189 MLOWEMQMXZBRFR-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862448617 QXPCDUDBXNNASY-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456597 VSGVEGCJQXWXQS-QFIPXVFZSA-N 437.417 4.925 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2F)c1 1862735492 MGIYFUMNJRRHAX-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CN(C)c1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862804660 HPEOOHFDAFETGH-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863269979 BTONQGXWGSYXPE-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc[nH]1 1864909314 NTJPEDKROCYSRT-JOCHJYFZSA-N 447.583 4.680 30 10 IJEE N#Cc1c(NC(=O)c2c[nH]c3ccc(Cc4ccccc4)cc3c2=O)sc2c1CCC2 1866465639 UEHIVJRWJPQQRY-UHFFFAOYSA-N 425.513 4.793 30 10 IJEE CCCC[C@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867709033 YZMHVMSDJVEWFW-BJKOFHAPSA-N 435.568 4.700 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)nc(-c2cccnc2)n1 1869373387 LPNWXRXLJRMCGQ-QFIPXVFZSA-N 441.583 4.660 30 10 IJEE Cc1cc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)cc2)cc(C)c1Cl 1870144915 NNPUMNFDXLQMJK-UHFFFAOYSA-N 444.322 4.860 30 10 IJEE Cn1c(C(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)cc2ccccc21 1870160824 MNHUABIAQCBXDU-UHFFFAOYSA-N 433.475 4.627 30 10 IJEE C[C@H]1C[C@@H](C)CN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)C1 1870348731 KHSAIZSOOZZYAN-SZPZYZBQSA-N 441.575 4.825 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)c(=O)cc1CN1CCCCC1 1870663811 XLADNEATOITDLL-FQEVSTJZSA-N 437.584 4.551 30 10 IJEE C#CCOc1cn(CCCOCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871005284 YLMWOMIVTNSGTK-UHFFFAOYSA-N 431.536 4.643 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)ccc3C2=O)c(OC)c1OC 1871369273 CTZUMZWIFWASFG-NNLIIISGSA-N 448.427 4.540 30 10 IJEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871427472 GIAIGYPUSNVHRB-OCKHKDLRSA-N 445.309 4.952 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CCCC 1872199371 AYGWCRFOWKWYHP-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872488275 FVFLJISTELKRQC-CQSZACIVSA-N 427.353 4.506 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872526332 WVRKCRDPXUPBLR-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE CS(=O)(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775091 JXVJKJBHZLUAEJ-FQEVSTJZSA-N 447.541 4.825 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)c1 1873406442 JXSDABBPPBQRDP-UHFFFAOYSA-N 427.891 4.646 30 10 IJEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1O 1874416955 QNSIVLYUCKZRMC-NLRVBDNBSA-N 444.560 4.800 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCCCO)cc1OC 1874479861 VYEGYCLXZGHISV-HKOYGPOVSA-N 448.633 4.945 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC 1874593063 PVLOYTIIKPPYOV-PKNBQFBNSA-N 440.496 4.527 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(OCC)c2)cc1 1874615036 CTRZAVXZZJKXIB-NTUHNPAUSA-N 449.503 4.668 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)[C@@H]1CCCO1 1875115885 ZTVUAYVDXDDFGS-MFUYTVRRSA-N 445.309 4.828 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)C(F)(F)F 1875116076 JYZYBVOYVPCXAO-BJMVGYQFSA-N 435.354 4.696 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)C(F)(F)F)c(OC)c1 1875193067 QOIYGDQCKLVAJG-GQCTYLIASA-N 444.789 4.730 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 1922106486 DEYQWHCWMLGSBG-RCZVLFRGSA-N 432.605 4.544 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3cc(Cl)ccc3Br)CC2)OC1(C)C 1963796992 RMCIIJJSQJYFBV-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE Cc1cc(O)c([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1C 2079970582 UQIURSDJZYYXKJ-GOSISDBHSA-N 447.320 4.949 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 2145540502 DRKFFKATHDPWSV-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 2159128593 UEXOTSNBBQJZBU-RTBURBONSA-N 441.385 4.806 30 10 IJEE C#Cc1ccccc1CNC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2180044003 OVGICSXNGKTHGK-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181146185 LFDICOWGIKZMDI-FOIQADDNSA-N 436.350 4.733 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Br)cc2OC)C1 2231166818 OHUTUFIOMBOLHM-KRWDZBQOSA-N 425.367 4.579 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](Nc1ccc(C#N)c(Br)c1F)C2 2234569476 CSVBMTQAPRNEDR-DUVNUKRYSA-N 438.341 4.907 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 2235729455 TWQXVUBCLDVSEE-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2249346694 FNDVHSRMQQPZCM-DFLPHWIXSA-N 447.498 4.761 30 10 IJEE C=C(CN(C)C(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 2268654303 XOWNOVCTAUFFRD-KRWDZBQOSA-N 444.381 4.532 30 10 IJEE Cc1cc(C(=O)N2CC[C@]2(C)CCOCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2282701986 ZRJOMMFCUZVRMF-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE CC(C)n1ncc(C(=O)C#Cc2ccc(Br)cc2)c1NC(=O)OC(C)(C)C 2296282066 RYCQLUBXEVEZDJ-UHFFFAOYSA-N 432.318 4.808 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccccc4)[C@H]3c3ccccc3)sc2c1 2296935896 NFNKNBQKPDQISE-OAQYLSRUSA-N 442.496 4.931 30 10 IJEE Cc1ccc(C)c(NC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c1 2297378386 JWQWPTXMXXAZQA-UHFFFAOYSA-N 442.537 4.990 30 10 IJEE COc1ccc(OC)c(C=C2SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)c1 2314548296 SIHBBKLSECLMIB-UHFFFAOYSA-N 438.534 4.672 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=Nc1ccc(C(=O)O)cc1 2314927060 YKOVCEDDZVGSKZ-UHFFFAOYSA-N 438.505 4.582 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2317355295 VDPOUVXAHOOXPF-JLHYYAGUSA-N 430.354 4.505 30 10 IJEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2c(C(=O)O)n(C)c3ccccc23)c1 2321817825 URJGVWFWFWRQEU-UHFFFAOYSA-N 433.537 4.568 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC)c(OC)c4)c3C)C2=O)cc1 2322748173 PRRGSYLHQPTZRK-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)c([N+](=O)[O-])c1)c1ccc(F)cc1 2324186312 YLTLZEOFFPKDCS-UHFFFAOYSA-N 445.406 4.858 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324372140 GJSJAMOHOBGQJA-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1OC 2325649362 WGTKKLPHXJZWQB-UHFFFAOYSA-N 432.314 4.776 30 10 IJEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325714273 GTBZGUAWKKOYHE-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2325728366 MRZBVZZVNXCYBW-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4OC)c3C)C2=O)c1 2325736224 YXTOISNVBHCOPY-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(OC)cc1 2326688914 MBGAUEHAFBSEIA-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2cccc(C(=O)OC)c2)c1 2326752368 QNVFQGFIAUQSQS-UHFFFAOYSA-N 438.553 4.727 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2326793248 RGQMAXOJUULSKI-UHFFFAOYSA-N 448.470 4.820 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccnc1 2328219223 ABBOAEAHHNWBJN-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)cc1 2328573675 LGSYYPBUXPKNNY-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C(F)(F)F 2330680210 BWLLNCXGPPFGPI-UHFFFAOYSA-N 434.410 4.946 30 10 IJEE C=CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331215845 HQBRSMFULJRCBG-UHFFFAOYSA-N 430.489 4.918 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1 2331352337 JUQPZMAZSIFWGB-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc2c(c1)OCO2 2331434146 CEVDJHHZBWWVIN-UHFFFAOYSA-N 426.346 4.948 30 10 IJEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2339574679 LMKRCRFJKKADGY-IEBWSBKVSA-N 443.397 4.926 30 10 IJEE C[C@H]1[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339601792 BAKRUIKEEKSDNR-YFOSEYIMSA-N 443.397 4.926 30 10 IJEE C#CCCCC[C@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366661805 WZMMLETVNIUROG-JSGCOSHPSA-N 425.763 4.601 30 10 IJEE CC1(C)C[C@@](Nc2ccc(Br)cc2C#N)(C(=O)O)[C@H]1OCc1ccccc1 2374899918 ZKJVAIOSKKFCPK-RXVVDRJESA-N 429.314 4.571 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCC)c(OC)c2)cc1 21246014 HGJBMPNZNVYZJV-CTNGQTDRSA-N 449.547 4.887 30 10 IJEE C=C(C)COc1ccc(-c2nc3ccc(C(F)(F)F)cn3c2CN2CCCNCC2)cc1 36276777 SYXCHTBZGHKNKV-UHFFFAOYSA-N 444.501 4.770 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)c1OC 41430540 RAVPCSJBDSIDTD-BKUYFWCQSA-N 434.419 4.987 30 10 IJEE O=[N+]([O-])c1ccc(/C(CSc2nc3ccccc3[nH]2)=N\Nc2cccc([N+](=O)[O-])c2)cc1 59460573 MSAJZTPAFGNMGO-QQTULTPQSA-N 448.464 4.988 30 10 IJEE C=CCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 64656554 JSLLTILGKFLUHS-GOSISDBHSA-N 425.531 4.620 30 10 IJEE CN(C)c1ccc(/C=N/N2C(=N)N(c3ccccc3)C(=S)/C2=N/c2ccccc2)cc1 103711693 UEVBPCKRRODYTM-IRCKMLGPSA-N 426.549 4.901 30 10 IJEE CCN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O 105535279 LDYVNEQTQACDNQ-QGZVFWFLSA-N 436.364 4.964 30 10 IJEE COc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1OCc1ccc(C)cc1 169896826 WWSTWRNJDSQVKS-YUMHPJSZSA-N 440.503 4.779 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(F)cc2)c1 170064352 HODGIAFZJUKZNT-NRFANRHFSA-N 439.389 4.895 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088298 HEEQGHBESSMCPG-JOCHJYFZSA-N 449.409 4.785 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2sccc2C)cc1 170105665 BCOPDEQLBNKDCX-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(C)c1 170145465 DTMIGYFJIALJDR-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)c1 170175794 DIPUEGWARJGNGT-QHCPKHFHSA-N 439.471 4.523 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)c1 170188053 WHZHURFBCWECKQ-HSZRJFAPSA-N 428.488 4.899 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)ccc1OCC(C)C 170193000 RFDGHNRLRYLRGD-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1 170203794 GTADHLXQCRHREL-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c1C 170225930 DAXYKCQUSGFCMI-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1ccc(Cl)cc1 170236077 QOTRJYSEPQIBRZ-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 170236917 YQTDEYIVOHYTEO-OAQYLSRUSA-N 439.895 4.632 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(F)cc1 170242639 HSIWVZGPJSRUCF-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(C(C)C)cc1 170245549 ALSSJCFBOBGLQC-HSZRJFAPSA-N 434.536 4.627 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)ccc1Cl 170264221 HXOITHAAWXOTEX-NRFANRHFSA-N 441.911 4.965 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1C 170277751 CCZNDFUKXZXJPA-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 170410966 OMTQNLFZUNJRCP-DEOSSOPVSA-N 443.499 4.525 30 10 IJEE N#C[C@@H](C(=O)c1cc(I)ccc1Br)c1ccccc1F 236164159 JMGPAHLADODAJC-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)C1=NNc1ccccc1C(F)(F)F 252617180 KNTSZXLNVAMQJV-UHFFFAOYSA-N 445.426 4.725 30 10 IJEE CC1(C)OB(c2cccc(OCCSc3cccc(Br)c3)c2)OC1(C)C 379491224 LZLTXIWBIBUNJG-UHFFFAOYSA-N 435.192 4.919 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 438073554 LAJATWGHTGPBAD-WMZHIEFXSA-N 428.552 4.551 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1ccc(Oc3cccc(Cl)c3Cl)nn1)CCCC2 484162880 OOPCCCGEFIBNJU-UHFFFAOYSA-N 440.290 4.973 30 10 IJEE C=CCn1c(SCC(=O)NCc2cc(C)cc(OC)c2)nnc1-c1ccc(Cl)cc1 508170228 BFWVUTYIHBPGHJ-UHFFFAOYSA-N 442.972 4.510 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cccs2)C1 508794531 LFFUUCDFKYHOCG-MAUKXSAKSA-N 430.961 4.897 30 10 IJEE C=CCn1c(Sc2nc([C@H](C)OC)ns2)nc2sc3c(c2c1=O)CCCCC3 509678118 DFOMLTWVPOGMNX-NSHDSACASA-N 434.612 4.623 30 10 IJEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cccc1OC 526801420 PXBOOGCERHVLMC-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)cc2)cc1 526823878 YWADZYLCKBDCMG-QQXSKIMKSA-N 425.517 4.621 30 10 IJEE C=C(C)Cn1c(N2CCC(CN(C)C(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 549604517 PJCLIRYNQTZNIM-UHFFFAOYSA-N 433.547 4.539 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 555287328 AMJORBJFVAVOPF-OAHLLOKOSA-N 447.406 4.692 30 10 IJEE N#CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccccc2)CC1 558927498 SJTYIEDITGWKSW-UHFFFAOYSA-N 440.320 4.635 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 568605252 KQZZGNYENDZBOM-GOSISDBHSA-N 426.952 4.530 30 10 IJEE C[C@H](NC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 576773210 IFRUXVUOIYRKSN-LBPRGKRZSA-N 444.438 4.516 30 10 IJEE COc1ccc(OC)c(N(CCCC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586243479 PLERHMRXHGRJOK-UHFFFAOYSA-N 429.325 4.510 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(N(C)C)cc2)cc1 586256116 FQVQFPZXMZMWBR-UHFFFAOYSA-N 449.576 4.807 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(c2c(OC)cc(OC)cc2OC)CC1 670198981 AVWHSLCUMKAWAB-UHFFFAOYSA-N 438.528 4.524 30 10 IJEE Cc1cc(Nc2ccc(I)c(Br)c2)c(C#N)cc1N 721128982 ORNODSBQISSMTP-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCCC 721951305 RZYWRDRCWMUZLC-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE N#Cc1nc(-c2ccccc2Br)c(-c2ccccc2Br)nc1O 725332129 JIEQGHUQFFORDN-UHFFFAOYSA-N 431.087 4.913 30 10 IJEE N#C[C@@H]1CN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCN1C1CC1 732648947 YCGMYJHEOHQDJS-DYESRHJHSA-N 429.948 4.511 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 745881501 RADKONZGXDPMEE-NRFANRHFSA-N 427.520 4.789 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 749672400 QXPAJTWUVQHFFD-FTJBHMTQSA-N 446.510 4.581 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@@H](c3ccsc3)C2)c1=S 765072575 DCJYUYPFCRUPQP-HXUWFJFHSA-N 442.610 4.580 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 804452514 IKQFNTHXUHRJLJ-NRFANRHFSA-N 434.586 4.843 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)n1 812573218 UMJNBCDQDPRXTO-HXUWFJFHSA-N 434.506 4.724 30 10 IJEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)cc1 1084021554 RTIMWKDDKSEPGZ-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE CC(C)(C)NC(=O)CSc1nc2ccc(N=Cc3ccc([N+](=O)[O-])cc3)cc2s1 1084145041 VYTVGFSSVJHTOF-UHFFFAOYSA-N 428.539 4.962 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](c3ccccc3F)C3CCCC3)CC2=O)cc1Cl 1126918853 GUEQLOOGKFVDIJ-GAJHUEQPSA-N 439.918 4.751 30 10 IJEE C=CCc1cc(C(=O)N(CCCOC)[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc(OC)c1OC 1128323932 AJOOSILRCPLZCU-FBKNVZDASA-N 427.585 4.736 30 10 IJEE N#Cc1ccc2c(c1)CCCN2C(=O)CCc1nc2cc(Br)ccc2s1 1129143172 GFXZUBFAXBSMCI-UHFFFAOYSA-N 426.339 4.842 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1ccccc1 1130319375 GCUINRCGYYBLRE-JOCHJYFZSA-N 447.332 4.735 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Sc3ccccc3)c2)ccc1F 1131169246 LLRVULAGOVIPFH-UHFFFAOYSA-N 442.537 4.694 30 10 IJEE Cc1ccc(/C=C\c2cc(C(=O)Nc3c[nH]nc3C#N)c3cc(Br)ccc3n2)o1 1131483543 HVWTVOPXDSJYIM-XQRVVYSFSA-N 448.280 4.916 30 10 IJEE CC(C)(C)OC(=O)C1(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCCCC1 1134604923 ALHQOMZNGGHSHG-UHFFFAOYSA-N 434.536 4.912 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(Br)cc2OC)cc1 1136097686 QUQVFECYKJCLGS-UHFFFAOYSA-N 438.709 4.671 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN([C@H]2CCSC2)CC1 1136699002 FZCUDLSAMCKTCM-QHCPKHFHSA-N 437.584 4.757 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)nc1C 1144387385 IOTVMRDPNQBKMN-CABCVRRESA-N 425.583 4.563 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 1157201830 KTQDJKYLVXSULG-FPOVZHCZSA-N 449.661 4.586 30 10 IJEE N#Cc1c(NC(=O)CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)sc2c1CCCCC2 1168295109 HLLWOVQYBOWTHV-SFHVURJKSA-N 439.556 4.704 30 10 IJEE C#Cc1cccc(N(CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)Cc2cccs2)c1 1191960191 HUNFGKBFTZEAKM-IBGZPJMESA-N 448.588 4.939 30 10 IJEE COc1cccc([C@H](Cc2cc(C)cc(C)c2)NCC(=O)Nc2oc(C)c(C)c2C#N)c1 1192707903 FFQFUNMNRWYAKI-DEOSSOPVSA-N 431.536 4.906 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 1207926574 VDUGKXMKWZAVTK-UHFFFAOYSA-N 425.881 4.720 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc(Cl)cc1F 1210799041 JMDVHJOMCVGKBX-HXUWFJFHSA-N 427.838 4.979 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc(OC)c1OC 1225350523 LNXMOLKPLYCCRX-UHFFFAOYSA-N 432.520 4.960 30 10 IJEE C=CCCC1(CNC(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)CCCC1 1252983264 CIVZYGCPMVQHDU-UHFFFAOYSA-N 448.633 4.762 30 10 IJEE C=CCC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 1264640942 PXIKZXVPXCJPTG-OAQYLSRUSA-N 432.486 4.908 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 1264919452 UCFBPNVWNWFEBT-UHFFFAOYSA-N 444.365 4.957 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C)c1ccccc1 1272703360 DQBVWHVIGYIODH-QZTJIDSGSA-N 442.401 4.888 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(-n3cccn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1273707349 SUJYNZLEUCVVFT-OSPHWJPCSA-N 442.535 4.534 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CCC 1286366170 WRMSCAGORMFVBJ-FQEVSTJZSA-N 425.646 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCS1 1286518179 CKZPXJUEYRXEIC-IEGUWTFLSA-N 428.577 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(c2ccccc2)CCC1 1286570144 NOWZNOJUELGORY-SANMLTNESA-N 438.616 4.843 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1 1286628183 CNLDQHLZBIZNSN-UHFFFAOYSA-N 445.995 4.782 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC(C)CC2)CC1 1286649145 XRAAFXBTMNDOAN-UHFFFAOYSA-N 425.596 4.677 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CCc2csc3ccccc23)CC1 1286657280 WACPHCOUMCINEQ-SFHVURJKSA-N 440.613 4.862 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(NC(=O)CCC)CC2)nnc1C(C)(C)C)c1ccccc1 1286680213 ANNRSHKRCLELDI-NRFANRHFSA-N 437.632 4.821 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286704111 KOCISEFMZCMKRH-OAQYLSRUSA-N 437.632 4.751 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C)CC1 1286708616 RHBRNXZTTLVKHP-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1286728558 CIMOQYGPKIEDGT-OAQYLSRUSA-N 427.662 4.869 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(SC)CC1)C1CC1 1286733335 YQZSHOMAVRMDNG-UHFFFAOYSA-N 449.418 4.767 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1286738832 FRPNARJFXBUXSN-OHUMZHCVSA-N 443.680 4.720 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccsc1)N(C)C 1286744225 FUCVVMLPHRJXPK-FGZHOGPDSA-N 437.613 4.687 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1286754007 OKHKEXKOAVJNGZ-SIKLNZKXSA-N 434.613 4.663 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1286769552 ABNCELXJXQYUHO-RBUKOAKNSA-N 445.558 4.823 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(Cl)cc2)C1 1286814612 UMOSTMBIBHKCCD-NJDAHSKKSA-N 445.007 4.680 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)C1CC1 1286827025 AMOAZAYCQLBSST-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE CN(Cc1ccccc1Oc1ccc(Br)cc1F)C(=O)c1cnccc1C#N 1288984090 DSXONMWQAGZLLT-UHFFFAOYSA-N 440.272 4.919 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(F)c(Cl)c(C(=O)OC)c2)CCCN1C(=O)OC(C)(C)C 1289696109 KDZYFFSXHJSXGY-OAQYLSRUSA-N 440.899 4.550 30 10 IJEE CCC(O)(CC)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC#N)CC1 1292271620 FEUFUXWKFKKAGA-UHFFFAOYSA-N 441.645 4.957 30 10 IJEE C=CCC[C@H](CO)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 1297803153 VIBASSBAFMOXMG-UOKXEKBWSA-N 427.429 4.552 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1300348217 KNBQEECFWIVQLI-OALUTQOASA-N 442.629 4.875 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](CCC)C1 1300349169 WMKGTFFZPLVABM-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1300900359 DICOAXUWNLPXQE-QFZWGZQFSA-N 442.579 4.979 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCCC[C@@H]1C 1300901901 VORKKNCLHALQTB-KRWDZBQOSA-N 449.441 4.703 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1300980762 NPDADEBWLLDWTK-FQEVSTJZSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(OCC)cc2C1 1301160668 UMIJGKFJOXFPRZ-UHFFFAOYSA-N 448.615 4.703 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1301189673 ZDMYIPYPHINWFE-LJQANCHMSA-N 429.559 4.568 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)C1 1301197800 OYSSKYUJUFOWGO-ROUUACIJSA-N 435.638 4.648 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1Cc1ccnc(OCC(F)(F)F)c1 1301363636 XQWPMPIGWYUZFX-UHFFFAOYSA-N 449.502 4.794 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCCC3(CCOCC3)C2)nnc1C(C)(C)C)C(C)C 1301367609 RECMHKXVHCJYFP-JOCHJYFZSA-N 443.680 4.671 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@H](F)C1 1301390657 MFMVBKXIPSXZQV-ICSRJNTNSA-N 447.599 4.709 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@@H](C)C1 1301602314 OGHOAMRPRCXDIC-GOSISDBHSA-N 430.618 4.898 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(F)c1OC(F)F 1307281344 OVPWVNDFIOVOAC-UHFFFAOYSA-N 426.508 4.525 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1310001193 OZQPXZIRTNFCBN-ZVVDCOBXSA-N 447.645 4.904 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)c2cccc(Cl)c2)c(C(=O)OCC)c1C 1352793135 JREWHXXTBJFMAB-GFCCVEGCSA-N 435.929 4.972 30 10 IJEE C=CCOc1ccc(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1 1353908162 NMQKTNSHLJBNGN-UHFFFAOYSA-N 425.916 4.935 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(-c2ccc(F)cc2C)nn1 1355395424 FKACCFGVVPUGMA-UHFFFAOYSA-N 427.439 4.940 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)cc1 1355841781 BXAJGPDCRCJSDC-UHFFFAOYSA-N 432.442 4.623 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)CCCN1C(=O)OC(C)(C)C 1357946663 UOYRHVLAPPFWNK-RUZDIDTESA-N 443.588 4.889 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 1358275340 ZYKVENHHPWONHD-UHFFFAOYSA-N 429.432 4.948 30 10 IJEE C=CCCOCCNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 1358340797 FMNCAEHPNPGVIB-UHFFFAOYSA-N 425.710 4.612 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCS1 1358969388 OAWSFIDHHWDPFB-ICSRJNTNSA-N 443.016 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1359101666 QTYOGXGRAJHHKZ-VGSWGCGISA-N 430.980 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN(C(C)C)C1 1359115899 QHIAKIDXIIDECD-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(OCCC(C)C)CC1 1359118232 WXKCCJCVSLAWQQ-UHFFFAOYSA-N 434.588 4.943 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1359130991 FABLSNOIIPONLJ-QHCPKHFHSA-N 433.556 4.591 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(OC)C2CC2)CC1 1359175834 BLNXMSFJZCMVEX-RUZDIDTESA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C(=O)OC)C1 1359184084 BPRFRYKNOWKJRS-IRXDYDNUSA-N 442.629 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359189467 LSGROBRHKQUTBT-LJQANCHMSA-N 433.641 4.772 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359191812 MSFFWJYRLOZKTB-SVGJNIJCSA-N 438.616 4.673 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1359209327 JZUSTRUCTWWLNO-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C)[C@@H](C)C1 1359293209 KGKXOZSKWCYIQV-GJZGRUSLSA-N 444.004 4.598 30 10 IJEE C#CCN(C(=O)CCCOc1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1360310506 HRVCHTTVUIFNHA-OAQYLSRUSA-N 442.353 4.902 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCSC1 1360480449 AAXMFJYDXPAETE-UONOGXRCSA-N 440.400 4.655 30 10 IJEE C#CCN(C(=O)[C@@H](CC)c1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1360557247 RNNJQCXAAZEKEU-PZJWPPBQSA-N 442.353 4.937 30 10 IJEE C=CCc1cc(CNC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc(OC)c1OC 1434921708 WQFFEJHKALIDHT-HNNXBMFYSA-N 448.357 4.587 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C 1435862317 JSDOVRXIDPGSOM-HIFRSBDPSA-N 425.323 4.634 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OC(F)F)c3cccnc23)CCCN1C(=O)OC(C)(C)C 1435955659 GJNMPZQDMNWZNU-QHCPKHFHSA-N 445.466 4.568 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCCc4c3cc(Cl)c(C)c4Cl)cc2C1=O 1436685193 IADHJKIDYCAJRU-UHFFFAOYSA-N 429.303 4.677 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1449431364 YVCKCGHNCGAMCA-IZBXUMLASA-N 428.532 4.787 30 10 IJEE CCCOc1cccc(CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 1458114011 AKEJURQXTUGLRJ-UHFFFAOYSA-N 439.987 4.966 30 10 IJEE C#CC[C@]1(C(=O)N(C)c2nc3cc(Cl)ccc3s2)CCCN1C(=O)OC(C)(C)C 1459810543 QZZRQLLCDGQCPK-OAQYLSRUSA-N 433.961 4.706 30 10 IJEE C=CCC1(CNC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CCCC1 1460026168 GHKZJBYBUASYRJ-UHFFFAOYSA-N 436.581 4.931 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCOc2ccc(Br)cc21 1468422757 BOWQPAURFMPJQR-MIALQEHNSA-N 431.374 4.744 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(Cl)c2)CCC1 1471224109 ZVNNOJQIAOFMMT-QGZVFWFLSA-N 427.372 4.914 30 10 IJEE C=CCC1(NS(=O)(=O)c2cc(Br)ccc2Br)CCCCC1 1475299672 VODWNGYTAJMGQV-UHFFFAOYSA-N 437.197 4.769 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@]3(CN(Cc4ccccc4)C[C@H](C)O3)C2)c1 1476104634 XNCWPRSRFCNQKU-LVXARBLLSA-N 435.568 4.539 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(N2CCOCC2)ccc1Br 1476603924 DVIUBGIDUSPKSX-UHFFFAOYSA-N 444.373 4.896 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1507557070 NRWDALVRVWCWPS-HYVLGVRCSA-N 436.600 4.700 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1507563566 YFGYYSDWHVCKBD-LADGPHEKSA-N 449.643 4.846 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC(C)(C)OC[C@@H]1C 1507579087 KNWJVQAJQUCVLC-FQEVSTJZSA-N 431.584 4.770 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1507611942 STUCHXFNIVYXKI-FCHUYYIVSA-N 437.632 4.560 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1nc(C)cs1 1507681309 SMASGGDIKBRMQU-MRXNPFEDSA-N 430.581 4.830 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CCC 1507743754 CCGFVYSCSSTZPT-CQSZACIVSA-N 439.398 4.838 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC[C@H](C)N1CCCCC1 1507761326 LYIXTJLNUYMJDK-YADARESESA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(O)(CC)CC 1507761647 IQMOFOOXGMDFGN-RUZDIDTESA-N 448.567 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CCN(C(=O)OC(C)(C)C)C1CC1 1507816282 KEPWZRFPQJOMFV-UHFFFAOYSA-N 443.567 4.886 30 10 IJEE C=C(C)Cn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507834953 CWNDYYRHGXNONR-OHUGHZGNSA-N 441.620 4.952 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CCC 1507864752 FWILFUVLSFCNHY-IRXDYDNUSA-N 426.005 4.770 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CCC)C1 1507938020 WWDBLYWUFZKGSL-PMACEKPBSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCCC2)C1 1507942484 DEXXBNSDWJGLQV-HXUWFJFHSA-N 440.588 4.932 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCN(C2CCCC2)CC1 1507945708 DTZMVZCYWLDJJI-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[C@H]1CCCCO1 1507974685 FLSAAWJSMNONKL-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)O 1508006155 KFDVQWZPSIFFBH-INIZCTEOSA-N 430.549 4.582 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1c(C)noc1C 1508023324 BVCKRTZDDCASDX-UHFFFAOYSA-N 433.581 4.819 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCC[C@H](C)C1 1508073308 JJNMEOOUIFSFDO-HOCLYGCPSA-N 436.387 4.569 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cnc(C)s2)C1 1508116513 JRYAGJDTGMIZBP-HXUWFJFHSA-N 437.613 4.837 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)c1 1520377614 VETZYWZDQLMOIO-UHFFFAOYSA-N 426.545 4.703 30 10 IJEE C=CCOc1ccc(CNC(=O)Cc2ccc(Br)c(Br)c2)cc1 1520957797 GMWHRVSSFFLMCX-UHFFFAOYSA-N 439.147 4.635 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1521932408 PWLHBCLQCMEEQU-CYBMUJFWSA-N 439.364 4.631 30 10 IJEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)CC)c1 1523416962 HLJHNBBTGHSPGP-OAHLLOKOSA-N 440.487 4.615 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(C)ccc1I)c1ccc(F)c(F)c1 1529491899 JSISRURKGGYUBV-KRWDZBQOSA-N 427.232 4.925 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3cccc(Br)c32)CCCN1C(=O)OC(C)(C)C 1535414848 WYIHNNFWHKCPAZ-OAQYLSRUSA-N 435.362 4.684 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1ccc(Br)cc1 1535484000 USPLJASWWPRRHO-LJQANCHMSA-N 425.351 4.530 30 10 IJEE Cc1cc(CNC(=O)OC(C)(C)C)ccc1N(C(=O)c1cc(C#N)cc(N(C)C)c1)C1CC1 1538923818 GVNOBBRUZGDRAB-UHFFFAOYSA-N 448.567 4.767 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1539086188 YQRGOIQKWBLEQL-GXRSIYKFSA-N 430.637 4.642 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC2(CCCCC2)O1 1539147599 ILIZEFIAXWYSRI-RBUKOAKNSA-N 426.536 4.509 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCC1CCCC1 1539401061 RGHCTJHUGXASHZ-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)OCC 1539539772 YMTUAFUNCGVOCY-UZUQRXQVSA-N 430.980 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC(C)C)C(C)C 1539620874 NWICEWRLQRNYEW-CTNGQTDRSA-N 427.549 4.705 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)S[C@H](C)C1 1539905526 BNUOTVNBNLPRCZ-OKILXGFUSA-N 438.439 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2C#N)CC1 1539909039 GUNFKSOYKLJSKP-UHFFFAOYSA-N 430.556 4.647 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539929333 SNXGSYFXJLTBDF-CADBVGFASA-N 431.625 4.886 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1539946602 CPGOZXYSQZQIPW-JOCHJYFZSA-N 437.632 4.531 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)C(F)(F)F)cc1 1540107057 QHHVXIMXWSOSGI-QRWLVFNGSA-N 435.467 4.883 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CCc1nc(C)c(C)s1 1540121165 ZAKDTCIFUSFXEH-UHFFFAOYSA-N 448.596 4.790 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCc2cc(F)cc(F)c2C1)C(C)C 1540146498 CDJSOOWSTAJGLG-HSZRJFAPSA-N 443.586 4.941 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@H](C)C1 1540148511 YDWPWBQSHMCDEZ-MSOLQXFVSA-N 428.627 5.000 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)C(F)(F)F 1540186750 GWMQLBVFOAFJJP-QGZVFWFLSA-N 426.483 4.936 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CCC2)C1 1540911806 CUDPWBLBXVNODY-UHFFFAOYSA-N 428.602 4.652 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2)c1 1542859881 DPIUPEYIGLWDPL-UHFFFAOYSA-N 434.613 4.699 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 1543736409 HPVLIWZNEQBGGQ-SFHVURJKSA-N 442.487 4.872 30 10 IJEE C=CCCCCCN(C)C(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 1544205168 XRLGBNNJOQZTLX-AWEZNQCLSA-N 427.330 4.908 30 10 IJEE C=CCOc1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1544319238 ZWDSUGYWMWNNPD-UHFFFAOYSA-N 426.416 4.587 30 10 IJEE CCOc1cc(CCCn2c(CC(C)(C)C)nnc2N2CCC(C#N)CC2)ccc1OC 1547938834 DHHSOYUTRMWZEC-UHFFFAOYSA-N 439.604 4.647 30 10 IJEE C=CCC1(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CCCC1 1557505880 HQIBQEMNZKJTEU-UHFFFAOYSA-N 440.609 4.894 30 10 IJEE C=CCn1c(S[C@@H]2CCCNC2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1559316179 WTFPVYISSCKSJQ-DOTOQJQBSA-N 430.643 4.714 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2cc(Br)cs2)c1 1559484050 FXNMGHZUIOYAEH-MRXNPFEDSA-N 434.403 4.895 30 10 IJEE C=CCc1cc(CNC(=O)NC/C=C\c2ccc(Br)cc2)cc(OC)c1OC 1563815222 ZXGKRAWWDWTEEC-ALCCZGGFSA-N 445.357 4.707 30 10 IJEE C#CC[C@@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C)c1ccccc1 1564384798 GDEMTTYQFWLCNZ-PZJWPPBQSA-N 425.573 4.572 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1)c1ccc(F)c(F)c1 1564596537 DDJJTVQZNHYKJC-QHCPKHFHSA-N 429.486 4.958 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2cccn2)CC1 1587808071 NEWIIHIFVBEELU-JOCHJYFZSA-N 446.599 4.561 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@](C)(OC)C1 1587879607 XKXATUMCRBMIBB-DEOSSOPVSA-N 445.007 4.670 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC[C@H](C)C1 1588575008 XEMVSLHFCKABKD-GBESFXJTSA-N 430.980 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC(C)C)C1CC1 1589506547 XTEWMPDAWXFVBI-RXVVDRJESA-N 429.996 4.990 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C(C)C)cs2)CC1 1594128899 ZGGVFQYYIRLZKW-UHFFFAOYSA-N 434.569 4.513 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCCO[C@H](C)C1 1594477973 LIPZBRVNFUJPGT-MRXNPFEDSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1594504569 XBBIMKUYPDDLGH-UHFFFAOYSA-N 436.604 4.976 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1594743944 FYZGRPNREKKDDK-SFHVURJKSA-N 426.590 4.787 30 10 IJEE C=CCC1(C(=O)Oc2cc(C(C)(C)C)ccc2I)CCOCC1 1596557721 NDQJPSUGUMHRRS-UHFFFAOYSA-N 428.310 4.867 30 10 IJEE C#Cc1ccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 1603613446 CTDSSUAMQROYAF-JOCHJYFZSA-N 443.341 4.809 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[S@@](=O)c2ccc(Cl)cc2)cc1 1610944969 AMXNKJXTNZNVBN-SSEXGKCCSA-N 440.908 4.759 30 10 IJEE C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)Oc1cccc(F)c1 1611596984 FYLBVJVMAIAISZ-KOSHJBKYSA-N 425.552 4.747 30 10 IJEE C#CCCSc1nnc(COc2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 1613135810 ATRRADVHQWQHSN-UHFFFAOYSA-N 433.455 4.989 30 10 IJEE C#CCN(CC(=O)Nc1cccc(Cl)c1C)[C@@H]1CCOc2ccc(Br)cc21 1615536322 SKZDMGPKWFOLNV-LJQANCHMSA-N 447.760 4.808 30 10 IJEE CC(C)Cc1ccc([C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)C)cc1 1615928566 FUWLIBQXYHUGTQ-RUZDIDTESA-N 429.568 4.868 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCOc1ccc(I)cc1 1617458946 PZWAAMWYIYCTEY-QAPCUYQASA-N 427.326 4.701 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 1622912618 DGUQZFDHXVKUQJ-HHHXNRCGSA-N 440.547 4.835 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)OCC 1624304069 QOJLUYFFBSSOHS-SFHVURJKSA-N 428.510 4.682 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1C#N 1624973616 GOCBEQBLRKLAQK-INIZCTEOSA-N 435.450 4.820 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccccc3NCc3ccccc3)CC2)c(Cl)c1 1626374209 CPSKTVMTFDDMJT-UHFFFAOYSA-N 430.939 4.786 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 1629002019 UNKILVNVWVIURP-IAQYHMDHSA-N 449.748 4.801 30 10 IJEE CC1(C)OB(C2CCN(C(=O)CSc3ccc(Br)cc3)CC2)OC1(C)C 1633529069 NYNYOIUJFPHNEQ-UHFFFAOYSA-N 440.212 4.626 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(CCN2CCC(C)CC2)c1 1636448744 UTADTRKDBVLXJD-UHFFFAOYSA-N 444.579 4.964 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 1636892809 VONOFKPSNSGNHR-QFUCXCTJSA-N 434.422 4.972 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 1641172825 GXVATONAFMSZTJ-CQSZACIVSA-N 439.364 4.832 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)C1 1643559926 VHCUMWRUKUERRF-MRXNPFEDSA-N 444.984 4.919 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCSC 1645340999 PJFDBNYKWXKUBY-NRFANRHFSA-N 444.984 4.516 30 10 IJEE C#CCN(c1cc(O[C@@H](C)CC)nc(C)n1)[C@H]1CCOc2ccc(Br)cc21 1650757711 ZHNVMJBOKVLPFP-KSSFIOAISA-N 430.346 4.688 30 10 IJEE C=CCOc1c(Br)cc(CNc2nc3cc4c(cc3[nH]2)OCO4)cc1OCC 1651497457 XEEJFJCASHRYIS-UHFFFAOYSA-N 446.301 4.630 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1)C(=O)OC 1652013052 MCZYRRFSXKGBSF-CQSZACIVSA-N 445.566 4.738 30 10 IJEE CCc1c(C)sc2nc(SCc3cccc(C#N)c3F)n(C[C@@H]3CCCO3)c(=O)c12 1652373546 BAUICSXGKSSMAB-INIZCTEOSA-N 443.569 4.811 30 10 IJEE C=CCN(CCc1ccco1)CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 1653044877 MTFHMTFZKYTWBN-UHFFFAOYSA-N 437.927 4.855 30 10 IJEE C=C(C)CN(CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)Cc1ccc(CO)o1 1654425564 XOODJVNIJZXFHZ-UHFFFAOYSA-N 439.581 4.837 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(CC)OCCc3ccccc32)cc1OC 1656366994 TTZNTVWRAWVVPF-QHCPKHFHSA-N 446.385 4.990 30 10 IJEE C#CCCN(Cc1cc(Br)c([C@@H](C)OCOC)cc1F)CC(F)(F)F 1657670371 DOEATEDPHBRTMZ-GFCCVEGCSA-N 426.248 4.657 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CCOc1ccccc1C(C)(C)C 1658461992 HPKXGMAHNBZBNR-INIZCTEOSA-N 425.598 4.744 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C12CCC2 1661979605 CYEBXUXAVIMLEX-RBUKOAKNSA-N 442.560 4.693 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1666389419 GKEGTSMJCGSTHX-LJQANCHMSA-N 444.938 4.924 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)cc1 1667050825 FZKKWRMQZZUFST-UHFFFAOYSA-N 443.503 4.671 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1669277025 SVWVTWQZFFJLKE-ICSRJNTNSA-N 437.506 4.993 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(c2cccc(Br)c2)CCCCC1 1669825584 GFMMLLDYDWCZEJ-FXAWDEMLSA-N 435.406 4.931 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 1669922781 BVLFCHQRHCKINB-LJQANCHMSA-N 430.911 4.558 30 10 IJEE C=CCCCCCN(C)C(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1670913648 PXGRZPXROVNQOV-UHFFFAOYSA-N 428.346 4.635 30 10 IJEE C=CCOc1ccc(CNC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc1 1678583656 ODQRBPDQOZZSLJ-JOCHJYFZSA-N 427.976 4.759 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)n1 1680180580 UTSCMHUQXUMETF-QGZVFWFLSA-N 446.395 4.760 30 10 IJEE C=CCC1(CNC(=O)N2CCC[C@H]([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCC1 1682500791 LAQVBTURCONVCT-PWRODBHTSA-N 449.636 4.617 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc(F)c(F)c1 1686173991 UHRPNGAARAGFHH-NFBKMPQASA-N 430.495 4.777 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1689883078 WRRLHWYIBGIYOH-UNMCSNQZSA-N 449.599 4.584 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1689919325 JYZIALZQZPWQMS-OALUTQOASA-N 442.991 4.664 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cn(CCCC)nc1C 1690007551 FKXZXTVCANBKGN-UHFFFAOYSA-N 442.611 4.669 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(C)CCCO1 1690271699 ZEMMCUMXTNKWHR-NRFANRHFSA-N 449.393 4.591 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccsc1 1690317429 ZGSDBBFRYFDBTQ-IBGZPJMESA-N 429.615 4.630 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(F)c(F)c2)CC1 1690365606 AOKHEDURMFUAAN-UHFFFAOYSA-N 448.315 4.713 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1690369695 UITRFYWEIODUBF-UHFFFAOYSA-N 436.869 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690422657 VSPYOQMDYANRHU-QFIPXVFZSA-N 437.632 4.852 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CC)(CC)C1)c1ccccc1 1690447415 OMJIUKSSDWGLAN-QFIPXVFZSA-N 435.616 4.777 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690488629 QWHNFHPKTHPMCQ-PKOBYXMFSA-N 445.633 4.636 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1cccc(Cl)c1 1690588188 LQPMJWNUCOFZCS-QFIPXVFZSA-N 444.366 4.733 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690611393 KRTMQBRRDWCBNM-ZWKOTPCHSA-N 438.494 4.886 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1cccs1)N1CCCC1 1692660782 DPZAKYXCFAIJFL-ICSRJNTNSA-N 426.634 4.648 30 10 IJEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(C3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)c1 1694210926 DTPNRODGIGWSHK-NIYFSFCBSA-N 448.615 4.642 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1oc(CC)nc1C 1705678307 VORLDOCYRDRCJP-XMMPIXPASA-N 435.597 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1705696239 MCIVFOPPJGUDLX-USKVXJDGSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1Cc1c(C)noc1C 1705719996 SWNZPOGQTUFZKL-UHFFFAOYSA-N 427.574 4.635 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@H]2CCCCO2)CC1 1705777063 WGAGSHAOYKWING-WIYYLYMNSA-N 428.552 4.919 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)C(C)C 1705865127 GGXXJWMUAPTNGZ-JOCHJYFZSA-N 441.557 4.514 30 10 IJEE COCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1712198989 IAWRSMULAPTRFE-HXUWFJFHSA-N 438.334 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C)c1ccccc1 1722275639 CTMUAKQCHHSTSK-HOTGVXAUSA-N 426.362 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](c1ccco1)N(C)C 1722300202 WZFUSBGPVGNWFP-UNMCSNQZSA-N 449.599 4.643 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722327677 MZSNQZJBKACOGJ-YLJYHZDGSA-N 435.597 4.652 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@H](C)C1 1722387854 MTBDBBXXBWVIRS-MOPGFXCFSA-N 443.016 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccc(F)cc1 1722502364 IJKDMFXLFJHYHM-RDPSFJRHSA-N 442.579 4.646 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1722585473 XUEZHQGYYCQWML-OAHLLOKOSA-N 446.020 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1722591861 NYEPADAYXQFQHA-NRFANRHFSA-N 425.596 4.675 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 1722596257 GDBLMKNSFVLLOX-SSGKUCQKSA-N 438.616 4.782 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](OCC=C)C1 1722597316 KNPLBTDAKPUFMI-KRWDZBQOSA-N 449.368 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCC[C@H]1C 1722636145 HNTCYMYBQWUVFJ-WAIKUNEKSA-N 426.561 4.986 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)C(C)C)C1CC1 1722645823 BCZPVLRFCMZWGL-IBGZPJMESA-N 433.394 4.842 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1CCC 1722656181 RHCMLEIMPFOQQC-DHIUTWEWSA-N 429.572 4.565 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@H]1CCN(CCC)C1 1722657101 QUBBFOKXOZLGNK-QHCPKHFHSA-N 432.616 4.732 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCc1csc(C)n1 1722663092 RGDPEILEFIMRCW-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1N(C)CCCC1(C)C 1722663937 LTEJQZCHLVYILG-LEWJYISDSA-N 443.661 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(O)c1 1722663945 LVOVZGHFABNKSF-NRFANRHFSA-N 440.569 4.536 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(CC)C1CCCCC1 1722688843 MRYHADPFSLDHDO-QGZVFWFLSA-N 445.995 4.533 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC(C)(C)C1 1722736256 YKPRBKKUNWFJMC-UHFFFAOYSA-N 432.659 4.810 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1727708604 CNDKBXXZJNLRJS-NMLBUPMWSA-N 444.624 4.915 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](COCC)C1 1740581847 HFUIWPPACNASRS-RBUKOAKNSA-N 426.630 4.798 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740587154 ZVKCXLVUQMLOGN-XMMPIXPASA-N 446.599 4.858 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOCC(F)F 1740632139 HCOHLTARKQSOQA-UHFFFAOYSA-N 448.926 4.558 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1oc(CCC)nc1C 1740768059 DYYSFNNKLUSLBL-UHFFFAOYSA-N 447.381 4.735 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(Oc2ccccc2)nc1 1740772092 PZXJYTWRNOZMSW-UHFFFAOYSA-N 426.524 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2OCC(F)(F)F)CC1 1740819888 IVPTYAUAQRRNRW-UHFFFAOYSA-N 432.446 4.992 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1740821417 IHJYUPNVOSNTSO-HXUWFJFHSA-N 437.588 4.749 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1740869807 ABFSNSBTOPXUCW-LIRRHRJNSA-N 449.368 4.817 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C2CCCC2)CC1 1740882665 UCMNVPYXGOKTNK-UHFFFAOYSA-N 437.632 4.555 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@H]1CCCCO1)C1CC1 1740905951 ARIWYNQIVHWHQR-JOCHJYFZSA-N 437.588 4.651 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)c1ccccc1 1740947395 XQDISGDKBDJCQZ-TZIWHRDSSA-N 439.604 4.819 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740997460 SWUOEEHZFOGYAK-KRWDZBQOSA-N 444.992 4.593 30 10 IJEE CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1744783008 FKZATVAENYDTSQ-JTSKRJEESA-N 448.571 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1748642356 NRNRAOCOWRSUOO-RDJZCZTQSA-N 447.530 4.996 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC(=C)c1ccccc1 1748650710 CNGCDFLSSOFUBI-HNNXBMFYSA-N 427.371 4.940 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC(C)(F)F)CC1 1748978801 OUZMFCSZVMMHSM-UHFFFAOYSA-N 449.958 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](CC)N1CCCC1 1749054564 WESCTWQSHQMJSJ-VMODYCNZSA-N 449.643 4.901 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1749132081 YKPKVRINSRIRGH-GBXCKJPGSA-N 435.572 4.546 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCO[C@H](C)C1 1749170188 BWIWQUFSOWYEPY-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1749198947 XZGJBSYIPARQNR-MRXNPFEDSA-N 438.373 4.726 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCCC[C@@H](C)C1 1749239268 HJUQRSPOQWYUGT-LJQANCHMSA-N 430.618 4.798 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)CN2CCCCC2)CC1 1749345528 LKFFTIRZWAJLRR-HSZRJFAPSA-N 435.660 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)C1 1749353910 DGFQRJCCJAPEKB-FQEVSTJZSA-N 430.556 4.522 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)C1 1749449876 WSNYISUJNUWULU-CQSZACIVSA-N 427.401 4.786 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)c1ccc(F)cc1 1749467599 UNMQGURZOAVOSL-UHFFFAOYSA-N 446.368 4.785 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1749529558 HOAALYLTYUEGPZ-VTYHHJSWSA-N 426.605 4.881 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(C)C 1749541321 LXJYBHSLNLDAHS-UHFFFAOYSA-N 427.568 4.528 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc(OC)cc1F 1749552650 IKXOSXXKQFVBHG-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1)C(C)C 1749557881 NQOVLZLQOPGTPT-XPWALMASSA-N 441.664 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H](C)CN1CCCC1 1749564964 HALGNOGXPAZLDA-GOSISDBHSA-N 444.421 4.618 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(CC)(CC)C2)cc1 1749685611 HYAYJUQCFVYAHE-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2sc(C)nc2C)C1 1749697446 KLKHTUWOTCZSIL-NHCUHLMSSA-N 437.613 4.723 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749758288 NDLXPFBDRAJKFN-QGZVFWFLSA-N 440.535 4.575 30 10 IJEE CC1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 1752258093 HBWJZBKTLOQNTG-QHCPKHFHSA-N 434.632 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCCC1(C)C 1760104984 KJQXHWCRYCEWON-RXFWQSSRSA-N 438.616 4.769 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(Cl)nc1 1760125670 SCUOHPTVQJDDOF-CQSZACIVSA-N 432.380 4.778 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C(C)C)C1 1760132362 HSUXAVXBCGNJFM-AZUAARDMSA-N 426.630 4.796 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1760133200 ZXUYDHWPNNJWIP-NRFANRHFSA-N 431.584 4.751 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1760138535 ADENMTPRDCPFKW-UHFFFAOYSA-N 445.652 4.754 30 10 IJEE C=CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 1760433326 RPTICXKBQKNYHR-ROUUACIJSA-N 446.979 4.654 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1Cc1c(CC)noc1C 1760479727 YMIKMFTVHVRLCN-UHFFFAOYSA-N 442.523 4.818 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)cc1F 1760500333 YBAGLVWRXARSRF-UHFFFAOYSA-N 431.515 4.972 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)C1 1768359551 DJKYDAXLDRQTNP-NHCUHLMSSA-N 439.629 4.744 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1771528591 CDULMRCJAOQZHF-PJIJBLCYSA-N 425.405 4.820 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCO[C@@H]1C(C)C 1772522777 KTTGEQFGIQGZDG-LERMDLETSA-N 430.955 4.791 30 10 IJEE Cc1ccc(NC(=O)c2nc(C(=O)Nc3cccc(C#N)c3)c3ccccn23)cc1Cl 1858241791 FELIUSPFMZYOOW-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1859838149 RHBPFCMOSPUWRU-UHFFFAOYSA-N 433.518 4.621 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2Cl)cc1 1862391777 ICSXBXPABXKKLO-OAQYLSRUSA-N 427.928 4.643 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)cc1 1862457797 YJGYTVAPWHFWAM-HXGDPMPDSA-N 445.437 4.967 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 1862475129 DYOPOQQTXSGAPI-XMMPIXPASA-N 427.500 4.961 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862490734 CNTZKXGLMCZGTJ-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(=O)O)cc2)ccc1F 1862503835 GRDGOUKPXRIVCM-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862533658 NLXAEFQOXOVSOQ-XMMPIXPASA-N 427.500 4.776 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)c(O)c1 1862549501 QBZBJDJKKNBPPT-WNSKOXEYSA-N 435.520 4.656 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862614995 GSOOFROMOPWBCY-FYYLOGMGSA-N 449.547 4.750 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862715441 VIYRAGCNAONOLZ-MZNJEOGPSA-N 429.516 4.922 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)c1 1862949220 HFZCPXQPCJIKFC-UHFFFAOYSA-N 447.466 4.955 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2ccc(F)c(Cl)c2)C1=O 1863053174 ABWVCMPHURESTJ-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCOC)C1=O 1863690271 JXIRIGXKALKHKE-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2c[nH]c3ccccc23)C1=O 1863818046 VIGYTIMOURHSJH-UHFFFAOYSA-N 430.552 4.793 30 10 IJEE CC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866779507 FNRXYUPWXIXEJA-ZEQRLZLVSA-N 447.485 4.892 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1cccc(C)c1C 1871167983 SZEOFWVPMFEEFU-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccc(C)cc4)c3C)C2=O)c1 1871370102 PMQRMSSVVVOIIU-UCQKPKSFSA-N 430.456 4.913 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4OC)cc(C)c3C2=O)cc1 1871370227 GRHZDXRCUSGZEY-QRVIBDJDSA-N 446.455 4.613 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@H](C)O[C@H](C)C2)[nH]c(=NCCCCCCCC)[nH]1 1871469056 OEZSAQWWILACMW-SZPZYZBQSA-N 448.700 4.874 30 10 IJEE C=CCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N(CCCC)CCCCCC)n1 1871477435 GAYYWHMJUGXVPS-UHFFFAOYSA-N 439.608 4.780 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCC(CO)CC2)n1 1871583927 DSOQNPQEAGWQEI-UHFFFAOYSA-N 440.636 4.581 30 10 IJEE CCCOC(=O)c1ccc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1872847477 NJPQKQJVIODUAV-UHFFFAOYSA-N 428.488 4.634 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203498 TYQSCSUBICVNRN-UHFFFAOYSA-N 437.421 4.874 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCCc3ccccc3)ncnc21 1873607665 XSIOZGDZHPGJSV-UHFFFAOYSA-N 427.508 4.533 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874203441 BZCBMAGJOXMUDL-AWQFTUOYSA-N 438.296 4.676 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2ccccc2OCC=C)nnc1SC 1874227785 CAUUNQSTSHQMCN-LFVJCYFKSA-N 436.537 4.591 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1cc(OC)ccc1OC 1874355375 KXKGSHRZXYXBJA-ZMOGYAJESA-N 438.553 4.563 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1c[nH]c2ccccc12 1874391670 OQYBMHGYZZAEAO-CVKSISIWSA-N 447.564 4.586 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCCc1ccccc1 1874418390 MYEAZXAAYIQRCT-XIEYBQDHSA-N 443.532 4.994 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2-c2cccs2)c1 1874423151 XIRHAYPMXHBHPW-OEAKJJBVSA-N 439.610 4.738 30 10 IJEE Cc1ccsc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H]1CCCO1 1874445534 ZHCRBMABRSJMRU-YODDIOPGSA-N 429.527 4.582 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 1874446172 UXIQVBLHNARULA-DOUQRPAJSA-N 428.945 4.972 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccccc1F 1874477627 FUMYCLRPOIFFBG-YDZHTSKRSA-N 430.505 4.704 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCC2)cc1 1874493958 NGIFWYDVEANVKU-MFKUBSTISA-N 449.580 4.866 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccccc2Cl)o1 1874513161 KGEPJABJJJTISU-SSDVNMTOSA-N 432.933 4.999 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] 1874605268 LMNWQFYGQNVCCF-PKNBQFBNSA-N 440.496 4.527 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)NCc1ccccc1 1874611687 PRLKFCYIACECOI-FYWRMAATSA-N 445.515 4.685 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875109585 URZPEFWBBCRUHA-WEVVVXLNSA-N 425.437 4.522 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)CC(C)(C)C 1875116688 NIHFLBJLAWIQFN-IZZDOVSWSA-N 427.453 4.850 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 1875127018 KXTFYJOKLYRKMM-JXMROGBWSA-N 448.387 4.627 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]21 1912177447 FAKLUJWJFWQCFJ-YVHKJVDXSA-N 448.568 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)c1nc(CNC(=O)OC(C)(C)C)sc1C 1922067244 AAAKHOFTIBSUHB-HXUWFJFHSA-N 431.602 4.900 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1944714918 CLXJXEMZSNMGHU-OALUTQOASA-N 431.533 4.728 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(CC#N)C1 1985182621 MDSHXQQCNGCYNL-DENWMYQTSA-N 445.563 4.748 30 10 IJEE Cc1ccc([C@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)c(F)c1 2079031054 FIONZXZFZHZTSY-FULVDIRDSA-N 429.277 4.687 30 10 IJEE CC1(C)OB(c2cccc(CNC(=O)c3cscc3OCc3ccccc3)c2)OC1(C)C 2100091280 IQCMUSNTZBMBFT-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNc2cc(Br)c(C#N)cc2F)C1 2105994755 GKACLPUCFLMPFS-SFHVURJKSA-N 430.293 4.611 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111268270 LOQJEQNLDQSKPX-ZWKOTPCHSA-N 443.813 4.848 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCCC 2126710855 KUFYMGWNYNPNRS-HUUCEWRRSA-N 433.337 4.717 30 10 IJEE CC(C)(C)OC(=O)NCC1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)c(Br)c1F 2174767879 OYXQWUOILZKXHJ-LQDVMPOASA-N 438.341 4.732 30 10 IJEE O=C(NCCCCC[C@H](O)C#Cc1ccccc1Br)OCc1ccccc1 2214987255 JNJZMBCFGBFXDI-FQEVSTJZSA-N 430.342 4.648 30 10 IJEE Cc1ccc(C#C[C@H](N)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223371007 WUMSMUNHGVFUFT-IGKIAQTJSA-N 434.580 4.518 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@H](N)C#Cc3ccccc3Br)c21 2235730423 ORYAYCKSROGFOV-LJQANCHMSA-N 427.342 4.798 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2ccccc2Br)c2ccccc21 2235740566 PORBFEOXHAERQT-PXNSSMCTSA-N 428.326 4.700 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C#Cc1ccccc1 2237432987 RXZMLRXVAHYPEJ-IBGZPJMESA-N 428.326 4.506 30 10 IJEE CN(C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 2243914397 BNEUILXASVOMQU-UHFFFAOYSA-N 439.515 4.840 30 10 IJEE N#Cc1cccc(Br)c1N[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2257513271 QWNNQJRDHRBFJJ-LJQANCHMSA-N 440.341 4.924 30 10 IJEE C=CCCC1([C@H](O)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2266231694 JGYFKKHTRSIYRM-MRXNPFEDSA-N 432.305 4.964 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267580804 KGOSPIHNUOBOEM-QZTJIDSGSA-N 444.381 4.867 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)cc1 2267823283 RZCZMYDEVVMZHE-UHFFFAOYSA-N 439.365 4.527 30 10 IJEE Cc1cc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C 2268650407 IXZHBUWKNPAJED-LJQANCHMSA-N 442.365 4.792 30 10 IJEE C=CC[C@]1(COc2c(N)ccc(F)c2Br)CCN(C(=O)OC(C)(C)C)C1 2272234084 KUYQWJZUVPUQHU-IBGZPJMESA-N 429.330 4.753 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@H](N)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296273569 PMCXTHVIUHKGJN-XMSQKQJNSA-N 435.406 4.801 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 2296289692 URSYKHRUPSPZEH-PMACEKPBSA-N 429.358 4.655 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(CNC(=O)OC(C)(C)C)c1 2296304458 HOMRCGZNSVTCBS-FQEVSTJZSA-N 429.358 4.786 30 10 IJEE CCN[C@H](C#CC1(SC)CCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2299640137 JEDFIZVWRBPTBL-FCEUIQTBSA-N 446.657 4.752 30 10 IJEE CC[C@](C)(CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2317240878 ACTITGUMMPGUGR-XMMPIXPASA-N 443.828 4.747 30 10 IJEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317356405 IVUKCKCQLKCHAH-VSOYFRJCSA-N 432.370 4.751 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)cc2Cl)c1 2321248542 XFTTZWTWQJHNIK-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cc(OC)c(OC)cc1OC)C3=O 2322042494 WHUINJHJXGDUTO-UHFFFAOYSA-N 439.508 4.589 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(C[C@H]3CCCO3)C4)C2=O)cc1 2322307737 VNIUTLGRMKFMSJ-JOCHJYFZSA-N 448.563 4.788 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)cc1 2322312368 XWQHQKQROUZTQU-UHFFFAOYSA-N 441.483 4.750 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)o1 2324014445 RWGBHTZGLIKGDV-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(O)cc4)c3C)C2=O)cc1 2325549807 JRESHGGLZDVZFM-UHFFFAOYSA-N 429.472 4.897 30 10 IJEE COc1cccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SC)c1OC 2325975941 FHUVITDNGMHNKM-UHFFFAOYSA-N 446.960 4.564 30 10 IJEE CCOc1ccc(C=CC(=O)Nc2ncccc2OCc2cccc(C#N)c2)cc1OC 2326848622 YKBWVAXVDMFXHV-UHFFFAOYSA-N 429.476 4.591 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2327768095 ALOYYQFZGZGTSG-UHFFFAOYSA-N 428.517 4.881 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)c1 2328638894 ZNPXTEMBIVVZME-UHFFFAOYSA-N 429.549 4.641 30 10 IJEE Cc1cccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)c1C 2328846832 BDDFFNGVIIJZOW-UHFFFAOYSA-N 431.565 4.987 30 10 IJEE OCCCSc1nnc(COc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2329921971 OUQXXWIPVGKODE-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCCO)cc1 2330283162 IGTMWPMRGGDTNI-UHFFFAOYSA-N 429.634 4.604 30 10 IJEE COC(=O)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1 2330812617 SLGADXYAZSQFCP-UHFFFAOYSA-N 440.544 4.967 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)cc1OC 2330894618 PRJFZHZFVBSKHD-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1cccnc1 2331045380 JARNPLJHASOKBO-UHFFFAOYSA-N 444.443 4.842 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)c1 2331141805 IKORQHLJMPRISG-UHFFFAOYSA-N 436.459 4.531 30 10 IJEE CCCc1nnc(SCCCO)n1N=Cc1ccccc1OCc1ccccc1Cl 2331660357 UGHHBCCHXDFPDM-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)[C@@H]1CCCO1 2331834615 IXNLNOBOTGNYGU-NRFANRHFSA-N 430.884 4.728 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360195849 FCGUOKXNASUNDH-VNTMZGSJSA-N 433.390 4.567 30 10 IJEE Cc1ccc(C)c(CN2C(=O)/C(=N\NC(=S)Nc3ccccc3C)c3ccccc32)c1 3041792 UWRYCFHGDHCICH-VYIQYICTSA-N 428.561 4.849 30 10 IJEE CN(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17097641 UESIRWSWULFLLG-JOCHJYFZSA-N 431.565 4.658 30 10 IJEE COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321105 UGXMQJVKAXFANB-WAIKUNEKSA-N 432.476 4.664 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc(OC)cc2OC)C1=O 36258486 DFEDSPYMWPPOKF-WOJGMQOQSA-N 445.924 4.901 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 38707301 TWJVBUWAEDETPK-UHFFFAOYSA-N 436.552 4.939 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 39839104 LGSUDYZBOBSFQS-QHCPKHFHSA-N 433.504 4.718 30 10 IJEE COc1ccccc1/C=C1\S/C(=N/N=C\c2ccccc2O)N(Cc2ccco2)C1=O 47138127 VNSKGZIZNPEEIJ-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1Cl 102535800 WQNBPKMNINSFJN-GOBJLOIFSA-N 438.842 4.509 30 10 IJEE N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 107830599 HJWQHIZAYKYDAZ-UHFFFAOYSA-N 440.347 4.518 30 10 IJEE COc1ccc([C@@H]2C/C(=C3\C(=O)C=Cc4c(C)cc(=O)oc43)Nc3ccccc3N2)cc1O 139954145 HEXUMTUXWGZEBK-RPYJSOBJSA-N 442.471 4.638 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(OC)c2)c1 169931834 ULVMBEPWEVBOCA-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)cc1 170005645 SGWYMIXDVSESJZ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1 170048616 KAVNGMDOWPYMBR-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccco2)c1 170090180 ICGZOAJAXHOZBW-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccc(OC)c1 170120584 FPKMBKIQCBNWFJ-LJQANCHMSA-N 444.325 4.754 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(O)c(OCC)c2)cc1 170149255 DPSXMBXSMUTZQA-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)cc1C 170200138 MQGUUIABGRVUNS-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccncc2)cc1 170204431 PVFHNFSJXITJOH-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2)cc1 170224929 SAZHRQSKTWEGJH-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(F)cc1 170237708 VTWCRYGIZOKJMK-NRFANRHFSA-N 425.500 4.656 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(CC)cc2)cc1C 170266062 POICFEJXBWCACE-URXFXBBRSA-N 449.547 4.713 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccco2)cc1 170285188 JTXWZOAITVNVFX-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)cc1C 170296253 ZCXFFYYSYIDRKZ-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(C)o1 170308421 MBJWBIIMLBHIDP-NRFANRHFSA-N 441.524 4.509 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1C1CCCCC1 170317512 GPWXNIZWLSBFDK-GOSISDBHSA-N 426.494 4.876 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1c1cccnc1 250611090 MRLYYDSAWQANQH-YZUZCNPQSA-N 444.922 4.549 30 10 IJEE C(=NNc1cc(N2CCCC2)nc(N2CCCC2)n1)c1ccccc1OCc1ccccc1 254734302 OGPCYRFCHBELDZ-UHFFFAOYSA-N 442.567 4.702 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C)cc1O 254738419 BLZPHAJBLNKRBV-YTGHUJMRSA-N 427.551 4.703 30 10 IJEE COc1cc(C=NOCC(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)cc1 254838404 LSDGMVNKTSYDPM-UWJYYQICSA-N 444.959 4.973 30 10 IJEE Cc1cc(Nc2cc(Br)ccc2I)c(C#N)c(C)n1 311922553 GYPIYUYTZRUUEB-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1CC 407426564 SHRJULRGZGIVFP-CVEARBPZSA-N 429.403 4.566 30 10 IJEE C=C(C)[C@@H](NC(=O)N(CCO)Cc1cc(Br)cs1)c1ccc(F)c(F)c1 426137162 FQFZAGUBOFTJPF-QGZVFWFLSA-N 445.329 4.610 30 10 IJEE N#CC1CCC(CNC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)CC1 441002774 WCDAMCIQSVRRMJ-UHFFFAOYSA-N 427.552 4.728 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 471990252 WXWOIGPBYLIXRU-UHFFFAOYSA-N 440.345 4.522 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1c[nH]c2cc(Br)ccc12 481491203 LJRSUXIWLMYJFP-UHFFFAOYSA-N 428.286 4.596 30 10 IJEE N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1cccc(Br)c1 496308186 VSBDJSLQYCZNLT-OAGGEKHMSA-N 439.231 4.832 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 504090875 JNGVLTWMWBZJEU-HSZRJFAPSA-N 440.450 4.708 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OCCc2ccccc2)CC1 508490626 QQAJJXRKFHPQDW-UHFFFAOYSA-N 441.579 4.851 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 508510960 SMMCEPWAFKGDIH-UHFFFAOYSA-N 428.993 4.527 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccccc1N1CCCC1 508953520 ULUAUIFJJXTSEX-ZCYQVOJMSA-N 443.595 4.946 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC 525589030 WGSWFNMRPCBNAX-GOSISDBHSA-N 430.504 4.515 30 10 IJEE COc1ccc([C@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526519832 FJZUZXUJVFYDSU-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2ccc(C(F)(F)F)cc2)c1 526826548 VBYZNTUXEOVROJ-MYKKPKGFSA-N 434.443 4.566 30 10 IJEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(OC(C)C)cc1 526831798 VXONIPZNZSPCAC-FMCGGJTJSA-N 442.541 4.706 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C2CCOCC2)CC1 558675385 RQGOQAKCHLVJRR-UHFFFAOYSA-N 449.368 4.676 30 10 IJEE C#CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243558 INZLOIWWMBXGAI-UHFFFAOYSA-N 433.154 4.893 30 10 IJEE N#Cc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)c(F)c1 609256906 LSTBFBVBOXOQHS-UHFFFAOYSA-N 439.899 4.757 30 10 IJEE C=CCC1([C@H](Cc2sncc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722941725 VWDYOSWSVRIKGU-INIZCTEOSA-N 444.439 4.630 30 10 IJEE N#C[C@H]1CN(C(=O)c2oc3ccccc3c2CSc2ccccc2F)CCN1C1CC1 732648090 OEKWEQRXRFCGSN-KRWDZBQOSA-N 435.524 4.677 30 10 IJEE CN(C(=O)c1cccs1)c1ccccc1C(=O)OCc1cc(Cl)ccc1OCC#N 735338470 YQSBAKALSFDMEF-UHFFFAOYSA-N 440.908 4.937 30 10 IJEE C#CCOc1ccc(NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 741924976 LFZLEZVAPKIJIL-UHFFFAOYSA-N 441.527 4.965 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3cc4c(cc3C2=O)OCO4)cs1 745626913 VNTRNXYCDVSNEB-CHHVJCJISA-N 434.473 4.524 30 10 IJEE CC1(C#N)CCN(Cn2nc(Nc3ccc(OC(F)(F)F)cc3)sc2=S)CC1 779880169 VJAVWNPVHKVNRZ-UHFFFAOYSA-N 429.493 4.899 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CCCN1C(=O)OC(C)(C)C 790663250 YCEOCIRIFMZATF-VAXXYWNWSA-N 447.645 4.593 30 10 IJEE C=CCn1c(SCC(=O)Cc2ccc(OC(C)=O)cc2)nnc1-c1ccc(Cl)cc1 798234442 WFHWRQHRGBSIGT-UHFFFAOYSA-N 441.940 4.614 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 802576718 DNQQQCTZGDFNGD-ICSRJNTNSA-N 441.576 4.730 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)cc1 1084397165 HXTYSNTZGZIQAZ-OAHLLOKOSA-N 438.557 4.591 30 10 IJEE CC#CCCCC(=O)Nc1cc(-c2cc(OC)c(OC)c(OC)c2)sc1C(=O)OCC 1124579328 CYTSLQWAUFDHTD-UHFFFAOYSA-N 445.537 4.750 30 10 IJEE Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)sc1-c1ccccc1 1124918413 BJDLSPBWQHJMFI-MRXNPFEDSA-N 436.924 4.635 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1OC 1127430809 GHTSJJQGLUUMMB-OXHGWOFKSA-N 431.536 4.644 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 1130303367 XANODYBCHAUMDK-HNNXBMFYSA-N 428.872 4.925 30 10 IJEE C=C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC)c1ccccc1 1131131725 OOIUTRWTZPPPEI-QHCPKHFHSA-N 449.528 4.531 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(-c3nnsc3Cl)c2)CCCN1C(=O)OC(C)(C)C 1131808381 WVUIFCVFQSTOOT-OAQYLSRUSA-N 446.960 4.590 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)cc(OC)c1 1137974448 NEIKHKYUTISLIE-MRXNPFEDSA-N 427.339 4.646 30 10 IJEE CCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1)Cc1ccc(C#N)cc1 1167023429 DNJYHMUYSWVIAC-UHFFFAOYSA-N 434.565 4.850 30 10 IJEE CCC1(CC)CN(C[C@H](O)COc2ccccc2C#N)c2ccc(Br)cc21 1192411817 BCPKXYBVRVCHHM-SFHVURJKSA-N 429.358 4.638 30 10 IJEE C=CCN(C(=O)CN1C[C@@H]2[C@@H](C1)C2(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1195721066 NHABDSHDHZGZHJ-CHWSQXEVSA-N 444.334 4.833 30 10 IJEE C=CCCC1(CNC(=O)NCc2cccc(-c3nc(C(=O)OC)cs3)c2)CCCC1 1226236403 SWIPGDUBSXUJMK-UHFFFAOYSA-N 427.570 4.923 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccc1 1254755579 RVIHUINEQDQWPO-KAYWLYCHSA-N 446.639 4.686 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccc1 1254755580 RVIHUINEQDQWPO-RRPNLBNLSA-N 446.639 4.686 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](C)Oc2cccc(Br)c2)cc1OC 1265581141 RKFQSPGERHVDOG-HGPCXVNDSA-N 446.341 4.619 30 10 IJEE Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1274181621 BMOIGZUTLGGGDW-MRXNPFEDSA-N 435.597 4.769 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@@](C)(CC)O1 1286280603 ARHCXLKVXSCRSV-JDRJUVJTSA-N 448.567 4.923 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCC1(C)C 1286303070 XEXJMZJMUWAYHV-IRXDYDNUSA-N 445.405 4.904 30 10 IJEE C#CCCCCn1c(-c2cnccn2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1286320532 DAWKONJPWQTKML-UHFFFAOYSA-N 432.553 4.708 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1286337334 DUMMRUHUXFUPCE-YADARESESA-N 431.584 4.627 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)C(F)(F)F 1286524285 FRSDWQICCQIWOL-JOCHJYFZSA-N 429.490 4.931 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 1286657356 XVZPFMJWAXJSLJ-LJQANCHMSA-N 437.588 4.551 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(OC)c1 1286694762 HSEFQSSQEIUYPW-UHFFFAOYSA-N 444.377 4.657 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CSCCS1 1286731040 XKUYLGPZFDOLNM-CQSZACIVSA-N 445.441 4.635 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccs1)N(C)C)C1CC1 1286732975 LAZFXMBEOAWJAG-KRWDZBQOSA-N 428.993 4.513 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCC1 1286746927 GIGTZZTUMXDZFA-KRWDZBQOSA-N 442.560 4.726 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC(F)(F)C2)cc1OC 1296723918 CBHCROMUWXTHRG-CVEARBPZSA-N 433.503 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C1CCCCC1)N(C)C 1300277285 YZYQVAKVQJNURE-UTKZUKDTSA-N 445.558 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1 1300305319 ZJGZEKILXFOXSJ-IRLDBZIGSA-N 449.599 4.564 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1300754457 QSYIIYOZTFFYFF-KRWDZBQOSA-N 441.601 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)CCC 1300815965 DTJIBWLTPXEDAS-CLJLJLNGSA-N 438.616 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCC1 1300873424 GDLJKABLWLCQCY-OFNKIYASSA-N 440.588 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@H](c3ccc(CC)cc3)C2)nnc1C(C)(C)C 1300895297 OPTWNJONJRWWNL-VABKMULXSA-N 438.616 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCO[C@H]1C(C)C 1300924650 GMYFBHQQPLFWCS-CVDCTZTESA-N 430.568 4.850 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1301129913 GXWSAQAJNQXTAV-MOPGFXCFSA-N 436.526 4.836 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1301198876 SVDNZIDDLIGIAK-NRFANRHFSA-N 444.023 4.931 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301436253 XDKSOICDLHZZNM-GUYCJALGSA-N 437.769 4.552 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2[C@@H]2C[C@H]2CF)C1 1301565714 JPKYPJSNBHVSLM-QKNQBKEWSA-N 428.552 4.601 30 10 IJEE CC(C)(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1302185260 HOUUCLRAWFAQSV-FQEVSTJZSA-N 433.398 4.992 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)n1 1304454067 FNLKFMIURRKDEJ-LADGPHEKSA-N 444.583 4.608 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(CC(C)C)C2)C1 1305864401 CNBQJZUSARNDBJ-GJZUVCINSA-N 434.632 4.811 30 10 IJEE COCc1cc(Cl)cc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c1 1309602506 ACPKWBOEUAHIKK-ZDUSSCGKSA-N 446.878 4.608 30 10 IJEE N#Cc1nc(NC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)ccc1Br 1311071567 HBYJYKILAJZCQC-UHFFFAOYSA-N 433.737 4.856 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC3(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc2n1 1311234460 AQTCQUUVZMXJEA-UHFFFAOYSA-N 439.560 4.524 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CCCN1C(=O)OC(C)(C)C 1349428190 NJKZMUZPHZMKJI-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE C=CCc1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc(OC)c1OC 1352880569 KTLACKHYNMMFEM-UHFFFAOYSA-N 442.987 4.824 30 10 IJEE N#Cc1ccc(OCC(=O)NC(c2cccs2)c2cccs2)cc1Br 1354197382 HTIYCPXIVSDYCV-UHFFFAOYSA-N 433.352 4.728 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1OC 1357491937 GJDDISVYVIUNPQ-FMVJQMDRSA-N 446.591 4.690 30 10 IJEE C#CC[C@]1(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)CCCN1C(=O)OC(C)(C)C 1357573039 ALJLNUWRJDQRDV-UQBPGWFLSA-N 440.588 4.500 30 10 IJEE C#CCOc1ccc(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)cc1 1358080203 JXXUHXAPPCRFQO-UHFFFAOYSA-N 443.124 4.577 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1358207847 HMASSDXVWXMFAN-KRWDZBQOSA-N 441.341 4.502 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1358904861 NDPDACVEWRDURY-ZCVJKFOLSA-N 436.600 4.842 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1358912683 WGVATLQSJZSVJP-NQIIRXRSSA-N 428.964 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358988325 LJNNATCSCXABMA-SFTDATJTSA-N 439.485 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1cccs1)N1CCCC1 1359111426 ZYHRRVWVINDUKI-NRFANRHFSA-N 436.629 4.950 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccsc2)CC1 1359169370 FFCINILDZRFHQW-KDURUIRLSA-N 443.617 4.509 30 10 IJEE C=CCCCCn1c(N(C)C2[C@@H]3CCC[C@@H]23)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359206922 TUJGKCBJZAOFRU-FCGDIQPGSA-N 429.609 4.640 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)c1cc(C)oc1C)C1CC1 1359247728 NCVFZNZFVMQGTO-QHCPKHFHSA-N 426.948 4.871 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(CC)Cc1c[nH]c2ccccc12 1359341784 HOOGXEOBZIWTNI-SFHVURJKSA-N 425.602 4.599 30 10 IJEE Cc1nn(C)c(Br)c1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 1359905766 CGRUWYFBLSWYBR-UHFFFAOYSA-N 443.732 4.863 30 10 IJEE C#CCOc1cccc(OC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 1359925876 UJWRQJSBJJWDEM-UHFFFAOYSA-N 448.315 4.800 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1361124617 GYALZSLYDHOPAP-MRXNPFEDSA-N 441.503 4.860 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OC(F)F)c3cccnc23)CCCN1C(=O)OC(C)(C)C 1435955657 GJNMPZQDMNWZNU-HSZRJFAPSA-N 445.466 4.568 30 10 IJEE C[C@@H]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CN1Cc1ccccc1 1445780605 BBPZAQBGUFCUHL-NLFFAJNJSA-N 425.532 4.530 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](CCc1ccccc1)C(F)F 1454466921 GJVWZIVUNWJOTH-DLBZAZTESA-N 430.923 4.747 30 10 IJEE C#CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOc2ccc(Br)cc21 1459516487 TWHHEFREUOMFHH-FQEVSTJZSA-N 445.313 4.585 30 10 IJEE C=CCCC[C@@H](NC(=O)COc1ccc(I)cc1)c1ccccc1 1462500201 BIWRBBZIVDIPMS-LJQANCHMSA-N 435.305 4.884 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1470103013 BDWYNEMJXGWBCF-SLFFLAALSA-N 432.406 4.927 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1470490036 XZJNYBRLRKSTLN-GOSISDBHSA-N 446.378 4.648 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1474143754 OTTUGGGOYIJCLO-JOCHJYFZSA-N 440.971 4.976 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1474186040 NQSQVGGYVPTTHK-ICSRJNTNSA-N 432.358 4.717 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCCc3ccc(Br)cc3)cn2)cc1 1475954250 AVMIXLPYPVBTLJ-UHFFFAOYSA-N 437.297 4.872 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2)c1ccc(F)cc1 1476584542 VSIJRAGOEXIWAQ-IBGZPJMESA-N 441.478 4.754 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)CC(C)(C)C1 1494252270 HGMJESQOGMLBHX-RXVVDRJESA-N 432.572 4.585 30 10 IJEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1CCN(CCC(C)C)CC1 1498769092 DEPWONBCLUUMPJ-UHFFFAOYSA-N 434.632 4.639 30 10 IJEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)CCCC1 1502760913 GDDGVJKFYRNXFJ-UHFFFAOYSA-N 449.555 4.616 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1507647505 CNKKAVLWFJBHHY-RBISFHTESA-N 445.655 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nnc2n1CCCCC2 1507812482 MKZNAHRUMNELEK-QFIPXVFZSA-N 447.631 4.783 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)CCC(F)(F)F 1507837379 NUWVKHWAZKOZEA-UHFFFAOYSA-N 447.299 4.689 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C)(COC)CC1 1507838114 ZUWHVZWDMABGGM-UHFFFAOYSA-N 449.599 4.647 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507846602 QPOCWUBGCBVXAF-UHFFFAOYSA-N 434.968 4.952 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)c2cccs2)CC1 1507897738 LBYFIBZJBXQQCA-QFIPXVFZSA-N 428.989 4.970 30 10 IJEE C=CCCCCn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@]1(OCC)CCOC1 1507936402 AMUFAPVGRVNDAE-QHCPKHFHSA-N 430.980 4.503 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507941019 CQTMZRIVDVVYJH-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(COc2ccccc2)CC1 1507950813 IIJQPJFHOUTSFK-UHFFFAOYSA-N 437.613 4.895 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1507990897 PFBMXODVUVIOEQ-RBUKOAKNSA-N 440.588 4.711 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(CCC)C1 1508006778 LHJARAIOUBYZET-FQEVSTJZSA-N 436.629 4.635 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@]2(CCOC2)O1 1508013198 LVZXRDULNXTSGL-WZONZLPQSA-N 428.964 4.505 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1508163375 VTYXKZCPJVLTQH-UHFFFAOYSA-N 448.640 4.572 30 10 IJEE CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 1509314608 FTFYBEBTMJBQGF-FQEVSTJZSA-N 444.624 4.569 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@@H]2CC(=O)Nc3ccccc32)cc1 1516868936 GTFFOJUAMMTOOA-NRFANRHFSA-N 427.479 4.742 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 1520384929 HPAJPUHGUXCSAZ-UHFFFAOYSA-N 434.473 4.646 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc1OC 1520860962 KAPMWTXYSLTBHO-ZQGDAAQZSA-N 444.572 4.569 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 1521114291 BBQWSZIYATZPNL-UHFFFAOYSA-N 430.593 4.596 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 1525671616 MTLMERIQKUIRES-UHFFFAOYSA-N 447.332 4.977 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C 1527079156 KIRCNUJEGLGTLX-VXKWHMMOSA-N 425.573 4.937 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)c1 1527163110 DBQJUVUCKFNJSV-CVEARBPZSA-N 430.595 4.558 30 10 IJEE C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C[C@@H](c2ccccc2)C1 1528821337 BUGJRFOECBZIET-SNRMKQJTSA-N 427.342 4.788 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCc2cccnc21 1539148293 OIBWDWZGRHJQGK-PKOBYXMFSA-N 435.959 4.656 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1539246144 PFCJAFWYZGDSTB-ACDBMABISA-N 436.625 4.552 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1539596253 KHQCHASORMZELJ-UHFFFAOYSA-N 446.349 4.922 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCN(CCC)C2)CC1 1539828612 MJRXTCXBFAIIHD-PMACEKPBSA-N 444.023 4.960 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccnc(SCC)c2)CC1 1539892248 WQSZMDUHKADDIM-UHFFFAOYSA-N 449.624 4.835 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NCCC)CC1 1539959945 RRWQOOXPHFUKSW-UHFFFAOYSA-N 429.996 4.697 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1539985736 PJXQZMIYOZIHLU-HSZRJFAPSA-N 432.616 4.875 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1539998986 UUKXZVCABPYUBV-UHFFFAOYSA-N 427.980 4.518 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1Cc1cc(COC(C)(C)C)on1)C1CC1 1540112075 SMQBLVQYLWKVOW-UHFFFAOYSA-N 439.535 4.514 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CCNC(=O)OC(C)(C)C)C1CC1 1540115479 FWHFCOGNHJMYHI-UHFFFAOYSA-N 443.617 4.558 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1Cc1sccc1C 1540127435 DNBUWUBQBFHMAW-OAQYLSRUSA-N 433.581 4.655 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)s1 1540186559 DHVFWNJVXLDSRH-MRXNPFEDSA-N 432.977 4.568 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 1540879611 JMOUDLRGNWPAPN-UHFFFAOYSA-N 447.583 4.737 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2csc(C)n2)C1 1540886373 BMZHMMNMGGBDOA-QGZVFWFLSA-N 447.967 4.527 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@@H](CC)C1 1540911069 RSGFFLALOBJRSI-KRWDZBQOSA-N 440.585 4.798 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)C2(c3ccc(Br)cc3)CC2)c1 1542548844 GWKICEZFIPRSQR-UHFFFAOYSA-N 435.115 4.858 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)c(C#N)c2[C@@H]1C 1544832204 BUKGTSQPYDSFAM-VXGBXAGGSA-N 435.471 4.988 30 10 IJEE C=CCC1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCCCC1 1556622179 MRPDWYWEJAJCQV-QGZVFWFLSA-N 438.355 4.594 30 10 IJEE C=CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CCCC1 1557506485 NZUFXCNTGGHVEI-UHFFFAOYSA-N 428.554 4.505 30 10 IJEE C=CCn1c(SCc2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccccc1OC 1559321378 OVVBIAIZFUVLNV-UHFFFAOYSA-N 437.500 4.545 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 1583700054 JVOWZXFLZCDDJL-GOSISDBHSA-N 440.506 4.870 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)C1 1583967922 PQBRYWLTJYWBTI-RISCZKNCSA-N 425.314 4.518 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 1584641496 CKCVCXWNVZDXGM-UHFFFAOYSA-N 427.201 4.653 30 10 IJEE N#Cc1cccc(NC(=O)c2cc3sc(N4CCCC4)nc3s2)c1Br 1585444285 BKJUFULCDGFHKI-UHFFFAOYSA-N 433.356 4.844 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccccc1 1586026771 BAULEUSRDCZUBL-WJOKGBTCSA-N 430.533 4.972 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCc2ccccc21 1587574414 HDZLWXWHWGVREW-NVXWUHKLSA-N 438.373 4.614 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCC2(CCCCC2)O1 1588020063 CMZYUMIUVOQMOM-IBGZPJMESA-N 440.613 4.530 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccnc(SCC)c1 1588453079 YZLRJDYNEGNQQC-UHFFFAOYSA-N 441.988 4.525 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCN1CCCC 1589223223 GGZXSYGQACZCGS-ZEQKJWHPSA-N 437.607 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](C1CCCCC1)N(C)C 1589242746 IBYQLUICCMRCAP-SHQCIBLASA-N 449.643 4.668 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@](C)(OC)C2)nnc1C1(c2ccccc2)CCC1 1589461059 XWXYDZXSYQNYLB-OAQYLSRUSA-N 445.405 4.662 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCOC2(CCCCCC2)C1 1593752904 SSGFDUOKMUYNMV-UHFFFAOYSA-N 438.616 4.700 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)c2ccccc2F)CC1 1594408076 CVUNVQYDYNQVTF-UHFFFAOYSA-N 436.579 4.659 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1594461918 ZEZMCUIRIQRVSI-KRWDZBQOSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N(C)Cc1cc(Br)cs1 1594529652 VRVRAQMCTQMPJT-UHFFFAOYSA-N 427.412 4.877 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC)C1 1594608157 GXHNGPLRVSQPPU-IBGZPJMESA-N 434.588 4.658 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1)C1CC1 1595070856 PCMMCUKXTZTWQI-MOPGFXCFSA-N 447.649 4.791 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCSC2)C1)C(C)C 1595170717 IMWADNJAJJVINV-BWKNWUBXSA-N 445.721 4.899 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@H]1N(C)CCCC1(C)C 1595260019 FXJOAKBTKAFRFX-JOCHJYFZSA-N 425.621 4.884 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1595659220 VOFXIQNRBPXXPX-REWPJTCUSA-N 431.584 4.892 30 10 IJEE Cc1nsc(N(C)C(=O)CCc2cc(C(F)(F)F)ccc2Br)c1C#N 1596920191 BXQGKRWDLDNEHN-UHFFFAOYSA-N 432.265 4.700 30 10 IJEE C=C1CCC(CNC(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 1611415621 JCDBSGWXFPHIPT-UHFFFAOYSA-N 439.003 4.533 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(I)cc1Cl)c1ccccc1 1616818055 OTRKHSOIFQASTP-JOCHJYFZSA-N 445.709 4.798 30 10 IJEE C=C(Cl)CNC(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1618048361 ZRHQHTNWOYILKZ-OAQYLSRUSA-N 445.346 4.905 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccccc2C[S@@](C)=O)cc1OCC 1620892819 SXTYDCDRMGTSEC-AREMUKBSSA-N 438.387 4.903 30 10 IJEE C#CCN(CCCc1ccc2c(c1)CCO2)[C@H]1CCOc2ccc(Br)cc21 1621193694 PVZOUKHUPIFOIT-NRFANRHFSA-N 426.354 4.776 30 10 IJEE C=C(CCC(=O)OC)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 1622377214 CHUKGOHIUBUAHL-LBPRGKRZSA-N 437.359 4.568 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 1623647359 CMTRIMMREHEBJI-VQIMIIECSA-N 446.979 4.613 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(Cl)cc1F 1625630811 ZETDEMGOFMCCHZ-BBRMVZONSA-N 447.747 4.804 30 10 IJEE C=CCN(C(=O)Cc1nc(C2CCCCC2)cs1)[C@H](Cc1ccccc1)C(=O)OCC 1634104564 ZTWMLAXIUHHPMJ-JOCHJYFZSA-N 440.609 4.922 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br 1635242993 GXVMLIKXENNECH-CGTJXYLNSA-N 437.378 4.671 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)NCc3cc(Cl)cc(Br)c3)CC2)c1 1636233575 HYCZNGJQWBDVIT-UHFFFAOYSA-N 448.748 4.727 30 10 IJEE C=CCn1c(SCC(=O)OCc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640556315 SITAPQLJUMUYCB-HNNXBMFYSA-N 440.590 4.604 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 1641558217 TWBAPFCURJCGHA-KRWDZBQOSA-N 437.565 4.843 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Nc3cccc(OC)c3)cn2)CN(C(=O)OC(C)(C)C)C1 1645494854 SZANDQIRZJTTEH-UHFFFAOYSA-N 438.528 4.586 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 1653119771 YSIWZSVIKJWSFH-SFTDATJTSA-N 443.469 4.603 30 10 IJEE C=CCn1c(Sc2ccc(C#N)c(Br)c2)nnc1-c1ccc(OC)cc1 1654926279 BPODRYYYUDVICK-UHFFFAOYSA-N 427.327 4.925 30 10 IJEE C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(Oc2ccccc2)c(F)c1 1666544837 AGYKLRDLIACSMT-CYBMUJFWSA-N 432.423 4.807 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1670154608 FKAVUJMAYNCSMY-UHFFFAOYSA-N 425.529 4.940 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2cccc(Cl)c2Br)CC1 1671586504 GHLUAVLMRCLMCG-UHFFFAOYSA-N 433.737 4.765 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CC)CCOc3ccc(Br)cc3)cc2n1 1673220997 WLGWLDKEXAEXGN-UHFFFAOYSA-N 443.345 4.918 30 10 IJEE C#C[C@H](NC(=O)N(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 1674015094 QIXDGKPEYHLYHZ-NRFANRHFSA-N 436.358 4.970 30 10 IJEE C=CCC[C@H](NC(=O)NCCn1c(=O)oc2ccccc21)c1ccc(C(F)(F)F)cc1 1677269404 URSIZKXDQMQTFX-KRWDZBQOSA-N 433.430 4.620 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)c2ccc(F)cc2OC(F)F)cc(OC)c1OC 1677967228 VPYLAMNZLIJWEV-CYBMUJFWSA-N 438.446 4.733 30 10 IJEE C[C@@](Cc1ccccc1)(NC(=O)Nc1ccc(Br)c(C#N)n1)c1ccccc1 1679661232 HFBHOXOJYGCELL-QFIPXVFZSA-N 435.325 4.995 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C)[C@@H]1CCOc2ccc(Br)cc21 1681153397 JHLLWPXIGAUPHN-MISYRCLQSA-N 449.389 4.510 30 10 IJEE C#CCN(C(=O)NC[C@H](SC)C(C)(C)C)[C@@H]1CCOc2ccc(Br)cc21 1681306374 QRFAQTPYZJAWHJ-AEFFLSMTSA-N 439.419 4.695 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1681783174 FKTVYYPHMQZGEC-SELNLUPBSA-N 435.515 4.813 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1ccc(Cl)cc1I 1681895360 VYBHBFPITOQKRP-UHFFFAOYSA-N 446.741 4.904 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682089513 FPWHNKWBVXYOLI-PZJWPPBQSA-N 443.563 4.506 30 10 IJEE CC(C)(CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1c(Cl)cccc1Cl 1684113478 HLIHDFCBPNIUBA-GOSISDBHSA-N 445.394 4.691 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCSC(C)(C)C1)[C@H]1CCOc2ccc(Br)cc21 1685496560 IWNJZWVOUNKXRJ-WBVHZDCISA-N 437.403 4.592 30 10 IJEE C#CCOc1ccc(CNC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 1685983646 FSFVJMVCUGNLLS-UHFFFAOYSA-N 425.941 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C(CC)CC)N(C)C 1689835961 VXOIDHSZVXKFLP-LVCYWYKZSA-N 441.689 4.956 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1c(C)cccc1C 1689950976 IMHMZPGAPIRDMD-QGZVFWFLSA-N 434.609 4.897 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC1(N(C)C)CCCC1 1690092439 IORYRHICJBKQJI-UHFFFAOYSA-N 437.607 4.664 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1690166194 XWICKLGLZWRDNR-PZJWPPBQSA-N 449.624 4.501 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(Cc1ccco1)Cc1ccco1 1690225640 GKCLSHNSFSQWOM-UHFFFAOYSA-N 442.317 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC)CC1 1690252475 FHQCEWFWOBPNSS-AUSIDOKSSA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)c1cccs1 1690273229 IXSNRXLNYLZXCA-OAHLLOKOSA-N 429.977 4.697 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1690280318 DUWIZPZMMHRGQZ-QUCCMNQESA-N 425.577 4.651 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ccc(Cl)cc2)CC1 1690379511 SWOCVAPSRPOLPU-UHFFFAOYSA-N 429.977 4.523 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2(COC)CCC2)CC1 1690412461 RPRSZSPEINAFRP-UHFFFAOYSA-N 430.543 4.756 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2=CCCOC2)CC1 1690415394 KANBHSVYDZQTKR-UHFFFAOYSA-N 436.600 4.904 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2cccnc2OCC)CC1 1690415781 YFXBWRZTDSZBLH-UHFFFAOYSA-N 447.583 4.664 30 10 IJEE C=CCCCn1c(N2CCC(C)(c3ccc(C)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1690494003 YXLBOBYMJJQARE-SANMLTNESA-N 438.616 4.763 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC2(CCC2)C1 1690503584 GVZXAJXQIGPQCS-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@@](C)(CC)O1 1690607387 LLPHURHPRASNPP-PXDATVDWSA-N 435.572 4.824 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1690742644 XBYGRXNJKDKZAX-QFIPXVFZSA-N 425.646 4.566 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)CC(C)(C)C1 1693772003 AEKMMXPBYGTYHI-NHCUHLMSSA-N 434.632 4.954 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cscc1C(F)(F)F 1705546446 CSABOXLMEOSANF-UHFFFAOYSA-N 428.842 4.936 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1C[C@H](C)O[C@@H](C)C1 1705557016 OGNUWLYUZRGXTD-OALUTQOASA-N 445.007 4.525 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCSC1 1705668887 WJRISVYMJRPMNL-PNLZDCPESA-N 431.005 4.817 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC1(C)C 1705733924 XZJRBGVXTJRQCH-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(C)CC1 1705788396 ZFFWEXUBJWYYDQ-UHFFFAOYSA-N 434.592 4.538 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1705797610 ZBBQZSJFEYCQFR-URXFXBBRSA-N 431.584 4.953 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705822806 RBOGPFSZPLNEFI-SFTDATJTSA-N 438.616 4.984 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCC(C)C)cc2)C1 1705920184 RYFWIIFDTJTRLP-QFIPXVFZSA-N 436.556 4.711 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1705944827 UBOOTWLJLFMBDV-OAQYLSRUSA-N 449.580 4.817 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](c1ccco1)N(C)C 1722282873 RUMWOUTUKZDXNE-PKOBYXMFSA-N 437.613 4.629 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1722339127 WPLYPBRFFYFTEJ-GOTSBHOMSA-N 436.600 4.671 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H](CC(C)C)N(C)C 1722420239 GMZMBXMACHHCCG-HSZRJFAPSA-N 425.596 4.691 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC=C(C)C1 1722486125 RXOVLOTVVMBCSD-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)CCCOc1ccccc1 1722487382 OXFINEYVPVJKAE-UHFFFAOYSA-N 433.394 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(Cc1ccco1)C(C)C 1722492997 HZSXMIHUYBGAFR-NFBKMPQASA-N 436.556 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCCN(C(C)(C)C)CC1 1722496925 OWIYCJGECBLQEG-GGAORHGYSA-N 437.632 4.545 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)(C)C)CC1 1722518978 ZATDYSYAMLTTCA-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1722576928 RNZMSDNWQPZVMM-QGZVFWFLSA-N 425.964 4.807 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](CC(N)=O)C1 1722597494 NLBPFQZPAIYOHZ-ROUUACIJSA-N 441.645 4.580 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC(N(CC)CC)CC1 1722611257 IGQHCKFYAMFHLH-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H]2CCO[C@@H](C)C2)C1 1722716795 YSGMYIQRVDKGGN-BBTUJRGHSA-N 430.980 4.585 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)Cc1cccs1 1740606080 PJEOMAFZNKFGLT-OAHLLOKOSA-N 429.387 4.717 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCc1nc2c(s1)CCCC2 1740674343 CMRLLWSFNXRUCU-UHFFFAOYSA-N 449.624 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](OC)[C@@H](C)CC 1740727402 KGNXJKXLBUFERV-BTCOZLQPSA-N 432.515 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)c1cc(C)oc1C 1740729122 AIOTXCXFGNNHIZ-DNQXCXABSA-N 438.959 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCC1(F)F 1740734485 GNUGKDOGVOUPDA-HTAPYJJXSA-N 432.490 4.814 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1C 1740856567 VODNHNMPUVFHRW-VQTJNVASSA-N 448.615 4.811 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1Cc1ccnc(SC)c1 1740933282 MTBAPLQNISTAAE-UHFFFAOYSA-N 430.581 4.625 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccco1 1740971235 LEBYJNSUISDONI-LJQANCHMSA-N 429.524 4.667 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC#N)CC1 1741301207 COGIKSYHHRIFLK-DEOSSOPVSA-N 441.645 4.813 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)CC#N 1743053042 GKZDATFILGJXDL-KNKQGSTJSA-N 448.571 4.934 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](OCC2CC2)C1 1748706596 NJCUBPJITYIXNN-HXUWFJFHSA-N 442.991 4.806 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCN(CC(C)C)C1 1748913385 UFJZGSNBERTSND-QFIPXVFZSA-N 444.627 4.629 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](CC(C)C)C1 1749023614 YGKRXDRJRXEMQP-QGZVFWFLSA-N 447.446 4.946 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCCC2)C1 1749203994 QXPMCCJZXJRQLA-UHFFFAOYSA-N 437.371 4.889 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CC(F)(F)CO2)CC1 1749329550 OUPMHQIUTPJMGL-UYAOXDASSA-N 446.542 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1cnccn1 1749358982 HKQDXNUNJYMPOP-UHFFFAOYSA-N 441.377 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1749370588 LMLQRNVFXRKEKV-UHFFFAOYSA-N 440.485 4.504 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@H](C)C1 1749537739 MWZZNYZCKLYYAV-FPOVZHCZSA-N 449.624 4.898 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1749613720 GLLKCOVUCWGWRA-TZIWHRDSSA-N 437.632 4.950 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1749646415 QNDAVDNHBZQASM-TYPHKJRUSA-N 437.588 4.919 30 10 IJEE Cc1cc2cc(Cn3c(-c4ccccn4)nnc3N(CCC#N)CCC(C)C)ccc2[nH]1 1751439189 HDOSBHCHOJICAH-UHFFFAOYSA-N 427.556 4.944 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC(C)(C#N)CC1 1760150675 QECPKPLTKGNAEP-UHFFFAOYSA-N 435.572 4.676 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCC)C1 1760158963 WHBVVUBFZHOLSO-QGZVFWFLSA-N 437.371 4.583 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760274258 HWUDSYVPLNTOMQ-FCHUYYIVSA-N 440.657 4.970 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccsc1 1760276575 ISDVCRSWOABHRF-KRWDZBQOSA-N 430.002 4.763 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@H](c1ccco1)N(C)C 1760332268 XYOVZQPCBFSPOG-OAQYLSRUSA-N 430.556 4.792 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1760398960 TWKWPCXYWDFDQP-UHFFFAOYSA-N 449.643 4.904 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCCCCCO)CC1 1760398995 VIYWAEXQZABHEN-UHFFFAOYSA-N 439.423 4.724 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)C1 1760453416 VVYLWZQRHBNVDT-UHFFFAOYSA-N 447.313 4.602 30 10 IJEE CC(C)CC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1760988036 DJMUVAQJHSNZBI-MOPGFXCFSA-N 444.624 4.915 30 10 IJEE Cc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(C)(C)CN(C)C)c2ccccc2n1 1761678593 HVEKSTAZKIEZCN-AREMUKBSSA-N 445.615 4.520 30 10 IJEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)Cc1cccs1 1765107111 GDLWDIUFKWTRHH-GOSISDBHSA-N 445.596 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1CCO[C@H](C)C1 1772522783 MVVDIFYCJRWQGT-SEPYTNNBSA-N 430.955 4.935 30 10 IJEE Cc1csc(N=C2S/C(=C3/C(=O)Nc4ccc(F)cc43)C(=O)N2c2ccccc2)n1 1772738076 NFXJXTCTFYJKSU-YJCQMWQCSA-N 436.493 4.722 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OC)c(O)c1 1862381770 AQVVGVRNVAGZJL-GOSISDBHSA-N 436.291 4.696 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1862384123 PFUYRWYZWWICMB-SFHVURJKSA-N 448.302 4.926 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Br 1862422856 OLJWTSWOEZHDAA-KRWDZBQOSA-N 436.252 4.716 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862451783 NGLRWBXCWICPPZ-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccccc2Br)c1 1862496249 GJVAESLZDXLZKP-LJQANCHMSA-N 426.310 4.807 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1F 1862506291 LTQYXQMAWPLMHA-NRFANRHFSA-N 438.455 4.953 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1 1862580101 DGWVRHIBFVWWNK-HXUWFJFHSA-N 447.362 4.832 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 1862675765 SXDQNNIZVUMMNL-OAQYLSRUSA-N 425.456 4.538 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 1862687377 KFNNRAIYQBUYJW-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862701084 WDYBIJVQGOPRAS-FQQGMQMYSA-N 435.520 4.861 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862729334 WNQWYCNPVQMWDI-JOCHJYFZSA-N 444.443 4.566 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862737558 XNZPLOJVCKALEI-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccs3)C2=O)cc1 1863349088 XPVMCKUQKIULPG-UHFFFAOYSA-N 443.528 4.801 30 10 IJEE CC(C)(NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1866778966 JQVHELHBXXTXIA-UHFFFAOYSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CSc2ccccc2)n(-c2cccc(Cl)c2)n1 1870002143 CTPIQSQWKBQHNH-UHFFFAOYSA-N 439.972 4.830 30 10 IJEE C=CCOc1cn(CCCn2ccnc2)c(CSc2nc3ccccc3s2)cc1=O 1870244876 LYMXAKXMPRAIED-UHFFFAOYSA-N 438.578 4.602 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(CCCn1ccnc1)CO2 1871348857 AZKMIXDGKNYBOZ-APIMFKBVSA-N 427.504 4.606 30 10 IJEE COc1cc(/C=C2\Oc3cc(OCc4ccccc4C#N)ccc3C2=O)cc(OC)c1OC 1871437452 YQVOILCPOHBKGK-YVNNLAQVSA-N 443.455 4.779 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2C[C@@H](C)O[C@H](C)C2)n1 1871515664 GIQTVXMBWPYENF-QZTJIDSGSA-N 430.572 4.562 30 10 IJEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871682217 ALMGOJXGKGJJBH-KRWDZBQOSA-N 432.563 4.746 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871800167 RHYHWUPCUKVUBJ-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871873671 IHBITKCORBNADY-VGSWGCGISA-N 446.588 4.981 30 10 IJEE N#C[C@H](C(=O)c1ccccc1Br)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773743 XEHUEVOJAYIZTG-CYBMUJFWSA-N 427.279 4.791 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2ccc(Br)cc2)C1=O 1873177246 KKALTBYIOONEPI-UHFFFAOYSA-N 441.325 4.534 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCc1ccc(F)cc1)n2CCCC 1873580724 GGLUDKKOEDIGNR-UHFFFAOYSA-N 435.547 4.521 30 10 IJEE COc1cc2c(c3oc(=O)c(CCC(=O)Nc4ccc(C#N)cc4)c(C)c13)CCC(C)(C)O2 1873867534 QWMLOAQWYZLSRJ-UHFFFAOYSA-N 446.503 4.657 30 10 IJEE COc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(F)cc2)c(C(C)(C)C)c1 1874194022 UCLUYWGIEPQOGC-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccc(F)cc1 1874202099 KWJYXEIBKMWMFH-PCLIKHOPSA-N 442.560 4.994 30 10 IJEE CCc1ccc(OCCCc2nnc(SCCCO)n2/N=C/c2sccc2C)cc1 1874224016 OFICLXREYAUIAJ-XQNSMLJCSA-N 444.626 4.579 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2cccn2C)cc1 1874296217 PVWJCWVJJXVRJI-BUVRLJJBSA-N 446.536 4.599 30 10 IJEE COc1cc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SC)ccc1OC(C)C 1874326372 LRMCSNAACXKZQZ-ZMOGYAJESA-N 440.569 4.874 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SC)cc1OC 1874348511 QANHJZUKKHPIJC-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE Cc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1c(F)cccc1Cl 1874363874 WILFTRCCPVCPFI-ZVHZXABRSA-N 432.952 4.521 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCCO)cc1OC 1874440880 XWQLTFJPJVYHSI-JJIBRWJFSA-N 448.633 4.801 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C2CCCC2)cc1 1874456716 GVYARIWICAIABC-PCLIKHOPSA-N 439.629 4.921 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)c(OC)c1 1874460491 UFOPQWMXVIOTRS-YSURURNPSA-N 440.422 4.628 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)c1 1874484242 LZRZJHVXMRQXNT-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE CCOc1c(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cccc1OC 1874567349 SEDCMKGTCGMXAA-ZVHZXABRSA-N 426.586 4.615 30 10 IJEE C=CCOc1c(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Br)cc1OC 1874573100 WBCUCVQAKBXDAN-SOFGYWHQSA-N 433.298 4.936 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)N[C@H](C)c1ccccc1 1874584552 UNEPRGYGBRPJLN-IYICPGQYSA-N 433.479 4.987 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1OCCCO 1874604079 UJZJPQYBVYICJW-DHZHZOJOSA-N 425.481 4.530 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1874616314 SMPFJNQZXRYYFD-UUILKARUSA-N 434.423 4.956 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)CCOc1ccccc1 1874693053 LDCHJVSSLLYUPT-ZRDIBKRKSA-N 447.443 4.874 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)cc1 1874696639 JYARHAARHNTHLI-RIYZIHGNSA-N 432.472 4.974 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1Br 1875108319 JHOPIFFKDFWGJQ-QPJJXVBHSA-N 433.298 4.604 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)CCOc1ccccc1 1875128043 KTCJYGNPCNSPRJ-BUHFOSPRSA-N 432.472 4.974 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(N(C)C)cc1 1875128050 KYEJZXGQGQKINT-XNTDXEJSSA-N 431.488 4.885 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccccn1 1875128570 KCNHHNSPWPOIJO-ZHACJKMWSA-N 438.277 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880123409 XMOQYONJPJIWMV-WOJBJXKFSA-N 429.561 4.963 30 10 IJEE CCCCCCCCC[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882527305 CJLGMQFVXZVVMG-SLQAJWMNSA-N 425.591 4.644 30 10 IJEE C#C[C@@H]1N(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CC1(C)C 1899919411 YRWPNMHVPDVNOQ-YWWLGCSWSA-N 444.575 4.810 30 10 IJEE CCCCCCC[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1917156791 XPRJLNWIPOFODV-PKTZIBPZSA-N 425.525 4.700 30 10 IJEE C#CC(C)(C)Nc1cc(Br)c(I)c(Br)c1 1957670892 AKTACVGGPJILPL-UHFFFAOYSA-N 442.920 4.640 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 1965600641 GNGYTFWMOKIPDC-OAHLLOKOSA-N 444.320 4.792 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997456989 UTYCTCFDCDSHTK-NVQXNPDNSA-N 428.617 4.858 30 10 IJEE CC[C@@H](c1ccc(OC)c(C)c1)n1nc(C(C)C)c(C=NO)c1I 2079950632 HVQNKWXTLMDLRZ-HNNXBMFYSA-N 441.313 4.736 30 10 IJEE Cc1ccnc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2116079303 QEQYMBPZGKADEH-UNMCSNQZSA-N 436.405 4.509 30 10 IJEE CCCC1(CNc2cc(Br)cnc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2167618344 YIJOJVCPPMABBK-UHFFFAOYSA-N 437.382 4.945 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1c1cc(Br)ccc1C#N 2185155363 WLYSFSLCTYRPRQ-MRXNPFEDSA-N 444.320 4.840 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)CC1CN(c2cc(Br)c(C#N)cc2F)C1 2199519961 JJRYSHXIHGOSJS-UHFFFAOYSA-N 440.357 4.837 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2224093670 ISBIMCCLZZQUKP-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE C=CCC1(Oc2ncc(C(F)(F)F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2232220827 XLCZXESZIXIHGA-UHFFFAOYSA-N 437.256 4.807 30 10 IJEE CC1(C)OB(c2ccc(Nc3c(Cl)cc(F)cc3Br)nc2)OC1(C)C 2232306436 JJEOWDYKFBMUEV-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)[C@@H](CCCC(=O)Nc1ccc(Br)c(C#N)c1)NC(=O)OC(C)(C)C 2235315251 VRCRRBRFHSTNIH-QGZVFWFLSA-N 438.366 4.979 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 2235721345 AYVBARLSGFRCGZ-DLBZAZTESA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2235732399 RTXSZPPBIYKLNZ-NBYUQASBSA-N 433.390 4.696 30 10 IJEE C=C(c1ccccc1)[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237396023 YNOUCZGHVUJACG-UXHICEINSA-N 432.358 4.959 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)cc2OC)C1 2239665688 PMHQEPKJBOFAOA-SFHVURJKSA-N 439.394 4.969 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2258198398 AOTZKKNLCAZOOY-XMMPIXPASA-N 438.568 4.550 30 10 IJEE C=CCCC1(C(=O)N[C@@H](C)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2266280562 DDUKHZXGELIXFY-ZDUSSCGKSA-N 443.407 4.891 30 10 IJEE CN[C@H](CC#CC1CCCC1)c1cc(I)ccc1Br 2274130428 MSBKOBHIPNLSHA-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1csc(I)c1 2278727964 NTNWBDKTCLLTPX-CQSZACIVSA-N 446.151 4.818 30 10 IJEE C=CC[C@@]1(COc2cc(Br)cnc2C#N)CCCCN1C(=O)OC(C)(C)C 2287688970 UHIQKKJBBCWHPG-FQEVSTJZSA-N 436.350 4.830 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2296215819 DURBUUFYTBMTLM-JLMWRMLUSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](N)(C#Cc3ccc(Br)cc3)C[C@@H]21 2296231100 ZWYMBXAEVUJHRW-LZNRXBQRSA-N 433.390 4.698 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3cc(Br)c(Cl)s3)C2)OC1(C)C 2319680914 VECVFIZZRIZUSL-MRXNPFEDSA-N 434.592 4.862 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2N=Cc2ccc(C(F)(F)F)cc2)cc1C 2321221264 HDSTUOLDDRALCZ-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CCCc1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)c(C)c1 2321748948 IWMZBFSNRDXDBH-UHFFFAOYSA-N 432.553 4.571 30 10 IJEE O=C1C(=Cc2cccs2)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 2322224463 JPLZHIYKFIXWFG-KTYQWQPMSA-N 435.545 4.600 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)c1 2322307868 FOAGBOUHXPOSRG-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)cc(C)c3C2=O)cc1 2323681517 WBOWDBMFFVNSAC-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c1 2324370284 JJMWRGJEJYBUKK-UHFFFAOYSA-N 441.480 4.694 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2324454258 VVKRDBARBXRRMC-INIZCTEOSA-N 433.460 4.927 30 10 IJEE COc1ccc(CNC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325457270 HXVLDMAOTRUDGZ-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE O=C(C=Cc1ccccc1C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 2325571970 LHHPDXGCMXZRRJ-UHFFFAOYSA-N 443.175 4.597 30 10 IJEE Cc1ccc(C=Nn2c(CCCOc3ccc4ccccc4c3)nnc2SCCO)cc1 2325884907 CPMAXADPUGTARV-UHFFFAOYSA-N 446.576 4.718 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccco2)cc1OC 2326730039 JLNHOXZJOIESQK-UHFFFAOYSA-N 448.548 4.962 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327766901 UWVUIMXQSKTVOV-UHFFFAOYSA-N 445.504 4.796 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@H]2CNCC[C@@H]2NC(=O)c2ccc(-n3cccc3)cc2)cc1 2328215067 SEGBCQVXFKGYTA-UIOOFZCWSA-N 441.575 4.591 30 10 IJEE COc1cc2[nH]c3c(NN=Cc4c(OC)ccc5ccccc45)ncnc3c2cc1OC 2328835869 IDYOEEGJRQXMJP-UHFFFAOYSA-N 427.464 4.736 30 10 IJEE CCOc1cc(C=Nn2c(COc3cccc(C)c3C)nnc2SCC)ccc1O 2328841515 PUDMORWRNXEJCT-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE CCc1ccc(C(C)=CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)cc1 2329524262 NVYQVKXBDCOIOS-SANMLTNESA-N 437.543 4.890 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2330480068 HLGXDWCXEBHNHG-VWLOTQADSA-N 430.592 4.925 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1OC 2331114395 LFBHGLQMYNJPEH-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2C)cc1 2331122889 ZHXCPGLEHQNMII-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(F)(F)F)c1 2331131614 YKRAARXGUUSPSH-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331293094 QEOWVBCDHNHTQO-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 2331382198 JOAXLORDSNMXGF-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)cc1 2331733993 OPIWMOWTHNLIGS-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2339574680 LMKRCRFJKKADGY-MJGOQNOKSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339587125 PTTDQZDTFNZJDD-LJQANCHMSA-N 443.397 4.785 30 10 IJEE CC(C)(C)OC(=O)NCC1(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339593454 GNGMALPKGZIFJH-SDNWHVSQSA-N 443.397 4.833 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2344290355 KFERYNLPDKAVSH-HOTGVXAUSA-N 429.399 4.629 30 10 IJEE N#Cc1cc(F)ccc1OCc1ccc(I)c(Br)c1 2350077828 YRWKKIRETYOMCZ-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2cccc(Cl)c2)NCc2ccc(F)cc2)n1 14156923 CYUJSVICCISBNB-UHFFFAOYSA-N 426.883 4.676 30 10 IJEE Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)c(Cl)c2)NCc2ccco2)n1 14157373 JKTMLOWEHKSPLF-UHFFFAOYSA-N 433.299 4.783 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2OC)c1 34955313 WHXCQOKFIVOGFP-XYOKQWHBSA-N 448.471 4.836 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1ccc(Br)cc1 39912075 OSUFKLFNKGIJBE-HXUWFJFHSA-N 438.325 4.893 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4c(OC)cccc4OC)cc(C)c3C2=O)c1 41290052 XXVNNWAQNKWZIN-XKZIYDEJSA-N 446.455 4.856 30 10 IJEE CCOc1ccc2ccccc2c1C(=O)NCC#CCOc1cccc(Br)c1 90731195 AHCPBYIEEWHSGP-UHFFFAOYSA-N 438.321 4.813 30 10 IJEE COc1ccc(/C=C\C(=O)c2cnn(C)c2C)cc1CSc1nc(C)cc(C(F)F)n1 96576955 SNKMTJXXHAVTQB-ALCCZGGFSA-N 444.507 4.962 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 103098349 QVBCIMMCPPVYJW-VFJWVMJUSA-N 449.890 4.984 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 169964720 IPZBCMMJMYGSJO-XMMPIXPASA-N 443.499 4.796 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(C)c1 169970591 OMCJBNVQRPENGY-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2cccs2)cc1 169989127 UHJDYZJKRKRKSE-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCOC)cc1 170034467 AWSYDJHXHXMIKN-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2)c1 170036604 ZEARUJPJRCGTHB-HXUWFJFHSA-N 434.517 4.942 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1C 170087894 HPTVFTDBLMEKAM-NRFANRHFSA-N 448.544 4.855 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2cccs2)c1 170156585 PYSNJIVRHDXJMV-QFIPXVFZSA-N 446.528 4.668 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1cccnc1 170189963 USEUXGDINFPXRB-JOCHJYFZSA-N 444.487 4.504 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1c[nH]c2ccccc12 170234480 XXQJLFAXEGJOPL-QFIPXVFZSA-N 434.455 4.827 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170248313 CATXAZUBOUUGEH-QFIPXVFZSA-N 433.410 4.683 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1F)c1cc2ccccc2o1 170250811 CGWQPZZKLPPODF-JOCHJYFZSA-N 428.419 4.745 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCOC)cc1 170266886 CAPIYYMZWLVLTL-OAQYLSRUSA-N 443.927 4.526 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)cc1C 170296906 JIODRJIDTXHAQL-QHCPKHFHSA-N 449.478 4.865 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1O 170314700 NDVFKLNXAZIYID-NRFANRHFSA-N 447.512 4.870 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2CC)SC1=Nc1ccc(C(C)=O)cc1 252594013 BONCMVSCQSMKKF-OAQYLSRUSA-N 435.549 4.598 30 10 IJEE CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(C)s2)c1 254448161 LYYKTQJIIUNTSU-UHFFFAOYSA-N 447.969 4.665 30 10 IJEE Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)o1 442164633 WCGNYLBNATWXON-OXQOHEQNSA-N 444.491 4.585 30 10 IJEE CCO[C@@H]1C[C@]2(NC(=O)N(c3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2=O)C1(C)C 445988348 NHMJOZQBOKCEBT-AUSIDOKSSA-N 439.899 4.634 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 508886861 FTTPKXHJTNFXLB-GOSISDBHSA-N 444.366 4.805 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 516958260 NRJNELKLAPKHEK-QGZVFWFLSA-N 434.475 4.687 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](n2ncc3ccccc32)C1 549644830 DQPYVVKEHCDWAY-QUCCMNQESA-N 446.530 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 558778454 FTYQMIGXIVHLEI-ZFQVBKNOSA-N 432.008 4.534 30 10 IJEE C=CCN1C(=O)N(c2ncc(Cc3cccc(Cl)c3)s2)C(=O)[C@H]1Cc1ccccc1 561029783 GNUMCJLIVKILBI-HXUWFJFHSA-N 437.952 4.953 30 10 IJEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)c(F)c1 610462983 UPPZIMRBCCFSSU-UHFFFAOYSA-N 439.899 4.757 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1C#N 687740361 AWISBCRDVNEMSW-SANMLTNESA-N 444.462 4.926 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C2CCN(CC2)C12CC2 716095194 KQKGLUIQMPCUKJ-OAQYLSRUSA-N 432.362 4.711 30 10 IJEE C#CCN(C[C@@H](NCCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 721192090 LNJVFVTVKMZBLW-MRXNPFEDSA-N 427.358 4.808 30 10 IJEE C=CCn1c(-c2ccco2)nn(CN2CCC(CN3CCc4ccccc43)CC2)c1=S 732187327 KRIBDILZNFEWDE-UHFFFAOYSA-N 435.597 4.592 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\[C@H](C)c1cccs1 742213641 LKFKNWVKELBVQL-HQTCEHPBSA-N 443.569 4.690 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 744840222 NRFKTOTYWRADAH-HKARXFIJSA-N 434.492 4.517 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1cnc(C(C)C)s1 758682819 VWQHYBGHENWOJW-INIZCTEOSA-N 436.400 4.548 30 10 IJEE CC(=O)N1C/C(=C\c2nc3ccc(Br)cc3s2)C(=O)c2ccccc2C1 773144036 UMOUTOIYMRLTSI-RIYZIHGNSA-N 427.323 4.687 30 10 IJEE COc1ccccc1-c1nn(CN2CCC(C)(C#N)CC2)c(=S)n1-c1ccc(C)cc1 779878405 JLXUMSWPJKPCLK-UHFFFAOYSA-N 433.581 4.970 30 10 IJEE CCC1(C(=O)OCc2cc(Cl)ccc2OCC#N)CCN(C(=O)c2ccccc2)CC1 781323806 WFZXHOFEVFYQLE-UHFFFAOYSA-N 440.927 4.618 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCCC=C)c1 790285401 QGPCUNHXYMCEOV-JOCHJYFZSA-N 447.560 4.603 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 796778144 FRCGJKHRYAVBDR-ACJLOTCBSA-N 446.475 4.566 30 10 IJEE C[C@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 853916381 DTHGVAHDWMBIAN-LBPRGKRZSA-N 434.970 4.565 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(Cl)cc2C(=O)OC)s1 1125172754 GLAJIFHUMBQXLK-UHFFFAOYSA-N 431.366 4.917 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CC=CCC2)c1 1125519276 SADQNYQBEKRRAQ-SFHVURJKSA-N 444.984 4.807 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2C(C)(C)C2(C)C)c1 1126836959 YCQOJTRSLTXIEJ-UHFFFAOYSA-N 447.000 4.886 30 10 IJEE C=CCC[C@H](C(=O)Oc1cc(Cl)cnc1I)c1ccccc1 1131729136 ZSDPSPSKMZAHSO-AWEZNQCLSA-N 427.669 4.995 30 10 IJEE C=CCCCN(CC)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1134593159 XKTLPBWKYRGETG-KRWDZBQOSA-N 425.367 4.830 30 10 IJEE C=C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1137046204 KXCGILLBBJHMLX-GOTSBHOMSA-N 439.964 4.919 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2c(Br)c(F)ccc2[nH]1 1147578175 IBCRZIZAYKFLCG-BEFAXECRSA-N 426.289 4.981 30 10 IJEE C#CCN(CC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1(C)C)C(=O)OC(C)(C)C 1152060212 DQWCSZGPZGNMOH-GOSISDBHSA-N 438.490 4.670 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C 1164480845 SMGZLRYCGKOYPB-KGSLCBSSSA-N 443.632 4.746 30 10 IJEE CC[C@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1nnc2n1CCCCC2 1171941857 DOKMVZJRBSGEBQ-QFIPXVFZSA-N 445.567 4.705 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3ccc(F)cc3F)CC[C@@H]2C)cc1OC 1178884746 HDBABIIJJVHFAH-TWVNLXSWSA-N 442.506 4.679 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)CC1CCCCC1 1190984121 ICEKOPROCYYDAE-UHFFFAOYSA-N 429.586 4.834 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 1197174704 GPUZKAOEONHBOK-UHFFFAOYSA-N 442.445 4.910 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(Cl)c1 1209888292 NJTKIHXZRHDOMP-IBGZPJMESA-N 449.860 4.825 30 10 IJEE C#CCN(C(=O)Nc1ccc(F)cc1OCC)[C@H]1CCOc2ccc(Br)cc21 1214715424 YPPSIRLUEDWKAY-SFHVURJKSA-N 447.304 4.978 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)c2)cc1 1215210483 BDLUBSLKXYVAHK-KRWDZBQOSA-N 448.429 4.556 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(OC)cccc1OC(F)(F)F)c1ccc(Br)cc1 1219832743 FPVCHWUXJCYLRP-CYBMUJFWSA-N 443.219 4.852 30 10 IJEE C#CC1(O)CCN(C(=O)NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)CC1 1221833184 ONJPOYCUHLMMIF-STXQHDJLSA-N 436.640 4.990 30 10 IJEE C=CCC[C@H](NC(=O)NCC1CCC(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 1224644001 WGQZJICHHCDQFB-PPSBMQLTSA-N 446.535 4.615 30 10 IJEE C=CCC1(CNC(=O)NCc2c(Br)cncc2Br)CCCC1 1248674609 GYDVFWXPPFVVBU-UHFFFAOYSA-N 431.172 4.542 30 10 IJEE C#CCN(C(=O)[C@H]1CCCc2sccc21)[C@@H]1CCOc2ccc(Br)cc21 1265209761 IJHVJLNBYFSGJV-FUHWJXTLSA-N 430.367 4.916 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)cc1 1274606457 NJZSBALVCSRRSR-HSZRJFAPSA-N 436.552 4.865 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@@H]1C(=C)C 1286455847 ZYPMAGMKCGYKFR-NFBKMPQASA-N 434.515 4.607 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CCC[C@H]2C)CC1 1286474276 GNKIVLORSIVDAX-VWNXMTODSA-N 449.643 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C 1286562915 HOWPPZPHTVQHCR-JBAWTIAASA-N 438.616 4.678 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1c(F)cc(F)c(F)c1F 1286681467 WVNNZQMOPLNBDG-CQSZACIVSA-N 426.458 4.569 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCN1CCCC(C)(C)C1 1286746568 BGUPWVQDNJNBOU-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CCC)C1 1286749496 UDSYMNMJAKHEKB-FPOVZHCZSA-N 429.634 4.506 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2=CCCCC2)C1 1286801119 WHWNWPCFLPLBIF-PGRDOPGGSA-N 426.536 4.839 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(O)cc1 1286960077 CCGLYAFHHBNJAN-DLBZAZTESA-N 435.597 4.676 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1295553449 HOZGZCQHYHDWHK-MRXNPFEDSA-N 443.020 4.898 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1297397407 BSCIMLSCZMQHSM-QUCCMNQESA-N 429.515 4.505 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccc(F)c1 1300276952 SYBPCLUAUKKTKH-CQSZACIVSA-N 444.352 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(SC)CCOCC1 1300283195 SIWPIXGFWGIAEU-SFHVURJKSA-N 426.630 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)cc1OCC1CC1 1300287191 VRHMKAVHJHRLHO-QGZVFWFLSA-N 435.959 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(C)C 1300324645 IUOJWGZAAZHTJT-QFBILLFUSA-N 444.004 4.578 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COCc1ccccc1 1300330559 ZIWPXFXRDCAVNX-JFJDKTSWSA-N 438.616 4.508 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1300338156 AEZNGMSOAVPDHP-RBUKOAKNSA-N 431.625 4.725 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1300386190 MUDTUMBCBWFVFM-DNVCBOLYSA-N 427.474 4.850 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1300393420 HTNNBXPHRFBESV-UHFFFAOYSA-N 443.599 4.527 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCCC1 1300563856 OUHQXJPGNHIDBX-UHFFFAOYSA-N 449.668 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCOC1CCCCCC1 1300575120 RKKNRFOLKGZYCL-UHFFFAOYSA-N 443.595 4.639 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H]1CC=CCC1 1300733378 JRSFXFHOKQYVFL-MOPGFXCFSA-N 428.577 4.716 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)c1ccco1 1300740698 BGYKHZUZDDAUQS-GOSISDBHSA-N 431.565 4.959 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(CCC)CCC 1300746366 RDUVVLYHDNDUBN-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCc3sccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1301159124 VSKMAJJCAKRJHO-DEOSSOPVSA-N 444.645 4.935 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(F)(F)Br 1301278735 PMFZAASDYBXWJZ-LLVKDONJSA-N 431.350 4.741 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccco1)C1CC1 1301331450 KSYGWXDQVPYHGO-QFIPXVFZSA-N 444.988 4.879 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCC1CCN(CC)CC1 1301346835 KHMWZHIXLQSYOZ-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(CCC)C1 1301357605 QBDQFAGFQUYBSO-OAQYLSRUSA-N 446.624 4.803 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1301384435 PSTJHUBRXDYREF-HXUWFJFHSA-N 425.577 4.673 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](C)C[C@@H](C)C1 1301482355 VRQUCRVYMXMKRX-HUUCEWRRSA-N 444.004 4.598 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(OCc2ccccc2)CC1 1301602382 ZCOWPKHJOSSMSJ-UHFFFAOYSA-N 438.597 4.951 30 10 IJEE C=CCn1c(SC[C@H]2CC[C@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CCCC3 1307260507 FDGYVQGRXCMCHO-BXUZGUMPSA-N 430.517 4.725 30 10 IJEE N#Cc1cccc(C2(NC(=O)Nc3ccnn3Cc3c(Cl)cccc3Cl)CC2)c1 1310609096 DZEZAALFFFUKNM-UHFFFAOYSA-N 426.307 4.921 30 10 IJEE COc1ccc([C@@H](C)NC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c(Br)c1 1310838007 GBSGSPMTJHLARJ-CYBMUJFWSA-N 431.334 4.587 30 10 IJEE C=CCC[C@@H](NC(=O)N(CC)[C@@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1 1312342410 NXFLNDYNGHMAHB-MAUKXSAKSA-N 434.524 4.567 30 10 IJEE CSc1nc(O)c(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)cc1C#N 1338359894 JZQOMBKUKJSFEN-KSFYIVLOSA-N 429.545 4.600 30 10 IJEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)c2C#N)C1 1348984200 ACHXFWADODTHKV-KRWDZBQOSA-N 448.592 4.888 30 10 IJEE C=CCN(C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 1355007130 CCZIAMJZYYBZEP-UHFFFAOYSA-N 434.561 4.800 30 10 IJEE CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 1355123654 ACZVFSBFXDZPCK-SFHVURJKSA-N 443.956 4.890 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)Oc1cccc(F)c1 1358899368 LZBGISBMEKOBJW-HGIWEUDGSA-N 442.579 4.651 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1cccc(F)c1 1358922062 RWNQUPUELXVWKR-IBGZPJMESA-N 442.336 4.930 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[C@H]1CCCCO1 1358972401 CVQBOAJMZKKQHQ-OAQYLSRUSA-N 436.625 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CC)CC1CC1 1359092636 DBBMNFIBYKUNLL-ICSRJNTNSA-N 432.515 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CCC(=O)N1CCCCCC1 1359110032 YBSFWOYEPIAIOG-UHFFFAOYSA-N 446.599 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2F)CC1 1359189373 IVNKFGCEFPZKPN-UHFFFAOYSA-N 448.590 4.640 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](C)(C(=O)NC)C1 1359198872 DBXQILBYVMPOHB-DEOSSOPVSA-N 441.645 4.594 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1359204450 PIPGGPPSMJZPHP-UHFFFAOYSA-N 436.604 4.999 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1359206422 DQEFMVHELBWZCE-UHFFFAOYSA-N 428.577 4.616 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359220434 YXKOLOYWMSRUGP-LJQANCHMSA-N 430.980 4.730 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCCC1 1359255825 LUFZXNUOZFFDGZ-SANMLTNESA-N 449.599 4.573 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cscc1C 1359264760 OTOPLFZXHBKFPX-PXNSSMCTSA-N 444.626 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(Cl)c2)C1 1359325586 IQKPPARGAMUUMF-NJDAHSKKSA-N 445.007 4.680 30 10 IJEE C#CCOc1cccc(OC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1359925598 ISAGZVMSHMLMJP-GCJKJVERSA-N 443.902 4.785 30 10 IJEE C#CCOCCC(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1360266498 BENMDGGLSLTJJN-HXUWFJFHSA-N 430.342 4.635 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC2(O)CCC2)C1 1360787870 FPMZADJMWZXDOK-NRFANRHFSA-N 446.020 4.659 30 10 IJEE C=CC[C@]1(C(=O)N2Cc3cccc(Br)c3C2)CCCN1C(=O)OC(C)(C)C 1435978032 YAAYZOBJZVMSLG-OAQYLSRUSA-N 435.362 4.637 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1C 1454653705 DKBIESRBZKRIOT-RTBURBONSA-N 449.389 4.728 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1)c1ccccc1 1456293513 PTJTUMJIQPLLJE-DNQXCXABSA-N 448.563 4.933 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1)C1CCCCC1 1459392800 PKUZIKBUIFTSGZ-UHFFFAOYSA-N 442.357 4.843 30 10 IJEE C#C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C1CCOCC1 1461717729 VRJFYXOBFIALBK-SFHVURJKSA-N 430.913 4.558 30 10 IJEE C=CC(C)(C)CCNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 1461788199 ZJNLIKXNTQAOJQ-UHFFFAOYSA-N 430.961 4.991 30 10 IJEE C#CCN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@@H]1CCCc2ccccc21 1463020370 SNRBYAXNDVVWCY-DNQXCXABSA-N 432.564 4.867 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)s1 1465915168 DYWNFFULHCNWTJ-CRAIPNDOSA-N 436.046 4.618 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)c1ccccc1 1468145395 LYWBYNUIAXDMBV-OXJNMPFZSA-N 434.349 4.605 30 10 IJEE C#C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(Br)cc1 1468839756 POYTXEPKIOTQNC-HTAPYJJXSA-N 440.385 4.648 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1475941972 RPAAFPCEQNKGRQ-KXBFYZLASA-N 433.430 4.670 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2ccccc2CN2CCc3cc(OC)c(OC)cc3C2)C1 1476057543 BKCPVKNECDYCOU-IBGZPJMESA-N 435.568 4.692 30 10 IJEE C=C1CCC(CNC(=O)N2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)CC1 1479256007 FIAVGNLLONCIFV-DHIUTWEWSA-N 427.589 4.954 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCSC(C)C 1507679240 SNHZFFRQGPLTFY-UHFFFAOYSA-N 425.627 4.978 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CC1CCC(C(F)(F)F)CC1 1507698494 VUAZUDBMJJMBBM-UHFFFAOYSA-N 434.506 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1 1507814796 IQIWTTCVGSCDOO-VQTJNVASSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1507910965 AKWWMRBCDDOSHP-UHFFFAOYSA-N 434.544 4.963 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507933370 LOROKZVNRPODNA-UHFFFAOYSA-N 444.505 4.769 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1507965013 JKSCHDNEANLFTL-YLJYHZDGSA-N 427.420 4.624 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1 1508008505 FZHGAEBVTMTMGB-HXUWFJFHSA-N 446.624 4.803 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1514090460 HFXPNGPVFVEPGT-XMMPIXPASA-N 434.632 4.954 30 10 IJEE C=CCN(C(=O)CCc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1516157153 VTPGXDPLJGTSIN-OAQYLSRUSA-N 444.369 4.571 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F 1526207641 BDXVRLCJRVCBSD-QGZVFWFLSA-N 431.467 4.548 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1 1529135503 LSLCHAJYLZDRCJ-HNNXBMFYSA-N 434.344 4.815 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(OCC#N)cc1)c1ccccc1C(F)(F)F 1529645900 CGWNYZPBVOHBIW-SFHVURJKSA-N 449.429 4.812 30 10 IJEE COc1ccc2cc([C@H](C)C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)ccc2c1 1530807955 CPMOALANYQSNOF-IBGZPJMESA-N 427.548 4.604 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@H]1CN(CC)c2ccccc2O1 1531660718 HYRKFOKDFUKPOQ-KRWDZBQOSA-N 434.458 4.630 30 10 IJEE C=C[C@H](CC(=O)N[C@@H](C(=O)OCC)c1c(C)nn(Cc2ccccc2)c1C)c1ccccc1 1537020639 CYIIUKFKRCHNRT-ATIYNZHBSA-N 445.563 4.629 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(-c3cnco3)cc2)cc1C 1537296162 GOLKBPZJRRVJHK-UHFFFAOYSA-N 425.492 4.666 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)cc1 1539198172 SOKGOXIHVJHKRV-CEMLEFRQSA-N 440.337 4.983 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCSCC 1539351570 YSJXNRFMXIIYMQ-UHFFFAOYSA-N 441.826 4.964 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(c2cccc(OC)c2)CC1 1539524396 BKXXFPXKDBSPAI-UHFFFAOYSA-N 438.641 4.770 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCCCC1 1539579752 CIFNEQIVCIFZMY-UHFFFAOYSA-N 435.366 4.640 30 10 IJEE C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](CC(C)C)N(C)C)CC1 1539884583 MPDXSCNDDPMPDX-NRFANRHFSA-N 434.632 4.816 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(OCCc2ccccc2)CC1 1539916740 MUXZENRDVGYYQY-QFIPXVFZSA-N 438.616 4.612 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1539985737 PJXQZMIYOZIHLU-QHCPKHFHSA-N 432.616 4.875 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1539989233 QPFNADGUDXHMFR-MRXNPFEDSA-N 442.951 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H]1OC 1540148494 XLOFNUUCFUXADV-QUCCMNQESA-N 428.627 5.000 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C 1540151033 BWZWNXVNSRHQJL-ZJSXRUAMSA-N 429.678 4.578 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C)C1)C(C)C 1540151132 DHDJTDNIVMZVKO-YKSBVNFPSA-N 432.616 4.971 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1540174968 UBGVFRYIVOUUNL-IBGZPJMESA-N 449.624 4.974 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CCC1CCOCC1 1540184392 DBMXIEYYKGXMNJ-UHFFFAOYSA-N 441.963 4.638 30 10 IJEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC1CC1)C1CCCCC1 1541195901 HEUGQEYGJAVVCO-UHFFFAOYSA-N 448.615 4.671 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ncccn2)cc1C 1544179958 KFDYBWUBBIUTJA-KRWDZBQOSA-N 432.908 4.552 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)NC3(c4c(Cl)cccc4Cl)CC3)CC2=O)cc1Cl 1544337632 BKHXQGSLXTYARB-ZDUSSCGKSA-N 448.737 4.677 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)CCS1 1545058564 GDOSTLWBEFGGFW-GOSISDBHSA-N 425.602 4.641 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1547523591 GZBXPCHNDCZTFY-SFHVURJKSA-N 439.610 4.570 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)C1 1552561170 BYBGJCUWKLVXAO-OAQYLSRUSA-N 427.618 4.887 30 10 IJEE N#Cc1ccccc1OCCN1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 1559832949 GBZVICMZXKZJHS-UHFFFAOYSA-N 447.966 4.992 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)[C@@H]1CCCO1 1564603925 USQFLTJDTNQZFD-DQEYMECFSA-N 434.580 4.903 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 1570390416 QDZHPLLIXXFWFT-HOCLYGCPSA-N 442.478 4.693 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C 1587564760 ZADODGUNVGUYLS-LQWHRVPQSA-N 425.529 4.515 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1 1587792957 DVJMVUQKCZYBCP-DEOSSOPVSA-N 442.629 4.778 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCCC2)C1 1587856091 GRKOPDSLBFXKTM-FQEVSTJZSA-N 441.620 4.577 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CCC)CC1 1588280656 PGIBEWWUCPBXQT-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CCCC 1589304242 DEGNQTTZFPQMNN-UHFFFAOYSA-N 429.366 4.870 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCc1cccs1 1589503868 FLIZJOMGNRIOPM-KNQAVFIVSA-N 438.597 4.675 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1589708372 JZIHKLPOIOFMEB-SNCIUUNGSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnc(C)s1 1594498566 XBYMHBLJJXUTLO-HXUWFJFHSA-N 439.585 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCCC)CC1 1594521428 MUHGSLOWPWFTRH-OAQYLSRUSA-N 428.625 4.528 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 1594572563 FOMCPMLLTKEHLF-UHFFFAOYSA-N 439.361 4.900 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@H](COC)C1 1594572574 FXGVJSPVHLCOLD-INIZCTEOSA-N 436.398 4.645 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(N(C)C)CCSC1 1594866817 GJTGYUJBGPVCIZ-OAQYLSRUSA-N 448.061 4.873 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1Cc1c(F)cccc1Cl 1595251287 QYBLDHSKDSHBLK-UHFFFAOYSA-N 439.922 4.953 30 10 IJEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)c2nc(C)cs2)CCS1 1614216109 DSAGXTLKYBGKGV-KXBFYZLASA-N 438.626 4.717 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(Br)cc1C(F)(F)F)C(C)C 1615883941 KFCIFNYGJVPEQG-KRWDZBQOSA-N 433.312 4.896 30 10 IJEE C=C(C)C(C)(C)C(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1617382811 OPACWLDCTVVMCA-RTBURBONSA-N 428.573 4.745 30 10 IJEE COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cccc(C)c1C#N 1621709844 IECACGFYOZDCEC-FQEVSTJZSA-N 434.561 4.697 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)s1 1624014038 ULPAEJPABQJGPT-AWEZNQCLSA-N 431.396 4.719 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 1624754375 YMJQTDQOSNIDEL-QGZVFWFLSA-N 435.883 4.987 30 10 IJEE C[C@H](Oc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1)c1ccccc1 1624793515 HXFAAAOVEMZYHB-IBGZPJMESA-N 429.495 4.800 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)CC1 1624808793 QFMWCGQHSSXQHP-UHFFFAOYSA-N 438.519 4.622 30 10 IJEE CC1(C)CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[S@]1=O 1625883974 CLVCZHLSOXLLTE-GDLZYMKVSA-N 448.404 4.741 30 10 IJEE C#CCN(C(=O)c1cn(C)c2ccc(F)cc12)[C@@H]1CCOc2ccc(Br)cc21 1628058074 PPMGPFRZHMKDHG-HXUWFJFHSA-N 441.300 4.679 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1c2ccccc2c2ccccc21 1632485723 ZRDHJIQWDHSIKQ-LJQANCHMSA-N 441.959 4.947 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12)C1CCOCC1 1637128599 PWQJVFVOGCEYQC-SANMLTNESA-N 442.559 4.989 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N3CCCC[C@@H]3COC(=O)NC3CCCC3)c2)cc1 1637284022 GFRFHPCLQVDAPJ-XMMPIXPASA-N 446.551 4.965 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1640487704 JSELTGNIXQJUQU-CTDFXDFQSA-N 430.593 4.572 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCCc3ccc(F)c(Br)c3)c2c1 1642109012 FNOPDFNEGKSCSV-UHFFFAOYSA-N 430.277 4.680 30 10 IJEE CO[C@H](CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)Cc1ccccc1 1643586267 DILOIFQDUHYKQM-NRFANRHFSA-N 427.529 4.607 30 10 IJEE Cc1ccc(Sc2ncccc2C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)c(C)c1 1651267579 AQFXKDNGKIBUFV-UHFFFAOYSA-N 426.505 4.759 30 10 IJEE C=C(C)CN(Cc1ccccc1)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC 1652362134 YZJGXKRNWFZMAK-QGZVFWFLSA-N 431.374 4.541 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(CC)nn(C)c1CC)c1ccc(C(F)(F)F)cc1 1654702886 SDBYEMTUINMIDN-QGZVFWFLSA-N 429.508 4.550 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(Cc3cc(Cl)c(C)cc3Br)cnc21 1656154861 ZIEPXEUEADFXIZ-UHFFFAOYSA-N 442.791 4.948 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)Cc1ccccc1F 1657042147 XYRIPEVQEIBAEV-UHFFFAOYSA-N 430.527 4.791 30 10 IJEE CCC1CCC(N(C2CC2)S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1666398973 DGBRFXBRBRMKJO-UHFFFAOYSA-N 429.355 4.582 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 1668448471 RENKCMAHNCZWQE-UHFFFAOYSA-N 439.313 4.908 30 10 IJEE CCCCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 1674672028 DSZSCKTUMJQNST-UHFFFAOYSA-N 440.569 4.512 30 10 IJEE CC#CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675723772 LYMYQNNELAPEMK-QFBILLFUSA-N 444.362 4.680 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NCc1cc2cc(Br)ccc2o1)C(C)C 1675964642 SAICAFSIYMRUFN-LJQANCHMSA-N 434.378 4.693 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1679173918 SITFIHWQSTYLRF-RTBURBONSA-N 433.474 4.651 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1687206600 WEPQQYUIBFLXCZ-GMAHTHKFSA-N 443.385 4.635 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCc1ccccc1F 1689838232 VXKXKIGZHKXDAL-CQSZACIVSA-N 447.377 4.999 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1689919195 GBDPGHASYZFCJY-DEOSSOPVSA-N 433.644 4.869 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCCN2CCC[C@@H](C)C2)CC1 1690380629 RSZZPLUJMMBTHR-HSZRJFAPSA-N 437.632 4.834 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1690466825 CAJXQWVXZYYCAB-SFHVURJKSA-N 428.531 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690579633 PYGTXMQSQLZBLP-NQIIRXRSSA-N 432.634 4.910 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H]1C 1690601914 FGOAWZWUXTYFKD-IFMALSPDSA-N 444.583 4.597 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2cc(C)cs2)cc1 1690679223 NYVZNQBKLQXLGI-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCc2c[nH]nc2C)C1 1690689548 GVLYLHVSEBROJI-HSZRJFAPSA-N 448.615 4.688 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2Cc2ccc(Cl)s2)c1 1692973725 CKBHBVAGCUMFJH-UHFFFAOYSA-N 441.988 4.977 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nc(C)c(C)s1 1694244819 BQQKSTJAKMPIAQ-WMZHIEFXSA-N 438.576 4.578 30 10 IJEE CCN1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1695841985 ADIRMHRJALXYGK-HTAPYJJXSA-N 447.414 4.866 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@@H](SCC)C1 1705512502 FQJWPMKPWDWYQB-HXUWFJFHSA-N 442.629 4.878 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1cc(Cl)c(OC)c(OC)c1 1705673454 ZRVFQJONRYCCEF-HSZRJFAPSA-N 428.964 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN(C)[C@H](C)CC 1705678246 STEMQEAOSCSKIF-HYBUGGRVSA-N 425.646 4.601 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CC(CC)(CC)SC 1705678363 XYMPAZBIJTYTDT-JOCHJYFZSA-N 430.593 4.910 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCc2ccc(F)cc2C1 1705689015 BXDJDONWMZTWEY-UHFFFAOYSA-N 433.350 4.541 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](OCC)C1 1705722506 PDQGVBXENJBXEQ-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=C(Cl)Cn1c(C2CCC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1705752624 BNADMFXHKJFYCK-JWTNVVGKSA-N 436.000 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(c2ncccc2F)CC1 1705788760 LZVMKEDHHFBBCB-UHFFFAOYSA-N 438.551 4.700 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 1705853031 NKHBOGHMOMUORL-UHFFFAOYSA-N 439.947 4.522 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1Cc1cccc(Br)n1 1705862870 YGLFFUXMTQIAJN-UHFFFAOYSA-N 442.336 4.693 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@@H](C)C2)c(C)n1 1709634639 CXZPIWOVNVMAQC-KDURUIRLSA-N 431.588 4.652 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1710019552 HBAPHVWUSPDCCN-LAUBAEHRSA-N 440.592 4.825 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1722313531 AFOHZDKOFNOXHA-HSZRJFAPSA-N 438.616 4.676 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](c2ccco2)C1 1722324267 ODTKPTBJBHYISF-PMACEKPBSA-N 434.540 4.817 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccsc1 1722373851 RPHDUVAIUIYFGA-GOSISDBHSA-N 438.984 4.871 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1CC 1722512849 NAJODLFPFMQALP-WOJBJXKFSA-N 448.615 4.904 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)C[C@@H]1CCCO1 1722524607 GFCLUTBNXZYUMX-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(OC(C)C)c(OC)c1 1722525803 IYYHBVGGNKETGY-LJQANCHMSA-N 444.486 4.837 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(Cl)c2)CC1 1722561002 MGENFZWTXDFLCF-UHFFFAOYSA-N 446.780 4.904 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCc2ncc(CC)s2)CC1 1722569798 PABFFKOAIWJFCR-UHFFFAOYSA-N 437.613 4.838 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722691534 ZWABALVEJBDCGS-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cscc2C)cc1OC 1728844524 GHBQNHNTHBUBFT-INIZCTEOSA-N 425.558 4.509 30 10 IJEE CN(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 1729319843 IBTANINHOWRZFX-RCZVLFRGSA-N 426.653 4.651 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](N2CCCCC2)C1 1740583835 AUSSBASDXSZMBB-GOSISDBHSA-N 432.399 4.730 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccc(C)s1 1740721484 KRVSKWRZEZEMLJ-UHFFFAOYSA-N 440.638 4.847 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC1(CCOCC)CCC1 1740733736 KZXMCPHGVDPCLF-RUZDIDTESA-N 436.600 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCS[C@H](C)[C@H]1C 1740762799 GORAIRHPZNVXRP-RKONGDRVSA-N 440.657 4.765 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740824471 MEHRIOPJPBEYDK-RTWAWAEBSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(O)(CC)CC)CC1 1740835327 KYZMTBMQHSCVKB-UHFFFAOYSA-N 433.394 4.661 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS[C@@H](C(C)C)C1)c1ccccc1 1740854060 KUHNZWRKBRLAFN-IFMALSPDSA-N 436.629 4.616 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCSC(F)(F)F 1740921260 OQBGPAZYXZSKKJ-MRXNPFEDSA-N 444.498 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCO[C@@H]1CCCC[C@H]1C 1740923642 QXMZUERGHOUARW-SFHLNBCPSA-N 430.618 4.631 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCSC[C@H]1C)C(C)C 1740925995 FRZQUPHWHNDLIL-FYYLOGMGSA-N 439.673 4.894 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCCN1CCCC[C@@H]1C 1748902020 FDNSDMXEIFNESN-QHCPKHFHSA-N 449.668 4.606 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCCC[C@@H]1C 1748915028 RUXTZNAOBPVRKN-PMACEKPBSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCO1 1749053204 CUBCPGWFNYZRIA-DRMXPCRNSA-N 442.991 4.859 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccsc1 1749053284 FNHRUGAUZSVLOD-HOYKHHGWSA-N 436.581 4.919 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1749079876 BDAUFJMXGFNSRT-DBXWQHBBSA-N 436.453 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1749127992 QKRKPOFKEHEVCU-UGKGYDQZSA-N 428.552 4.701 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CN(C)CCCC)CC1 1749131729 VBVLZHBZIONOQA-ISKFKSNPSA-N 445.696 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 1749132947 GBDSRHPTQLRZOS-IMSXRSKXSA-N 426.580 4.862 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1749198343 GCKSMYVLVDBHSE-NRFANRHFSA-N 432.597 4.541 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1749286075 DTFPXUKBIPPXOM-RLSLOFABSA-N 442.604 4.770 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[C@H]2CCOC2)CC1 1749331780 XMUHYZOGBRHDAV-SFHVURJKSA-N 445.405 4.845 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1749335956 VOLGDTYLPHLUGS-QMHKHESXSA-N 430.980 4.561 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H](C)c1c(C)noc1C 1749538209 SMQFPDARFNROGQ-IBGZPJMESA-N 442.567 4.865 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CCCS1 1751256995 BEQJHGBRNRVGIV-JHVJFLLYSA-N 449.983 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(SCC)c1 1760107111 QXFFVKSYGIMUJW-AWEZNQCLSA-N 429.952 4.751 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1c(C)noc1C 1760350518 KYXIGYIZRCIODW-UHFFFAOYSA-N 446.555 4.636 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760351165 BDIZZCJGUJRWQG-XZOQPEGZSA-N 438.616 4.983 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nc(C)c(C)s2)CC1 1760392231 JBDQZPRHZBBQCB-UHFFFAOYSA-N 429.977 4.789 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC2CCOCC2)CC1 1760397807 CPHQTODNXXJEGY-UHFFFAOYSA-N 448.409 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1760408553 OHLRDJBOBNIDAA-QGZVFWFLSA-N 447.986 4.692 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1760428039 NOCFFTQQVDGGQJ-UHFFFAOYSA-N 429.634 4.683 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC[C@H](C)C1 1760454493 LRJGAMXBYWIVOD-FQEVSTJZSA-N 432.616 4.936 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1760475967 BLRSZAPNKPBNOB-JOCHJYFZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1OC 1760485525 HCFXEBUDIKEDMZ-UHFFFAOYSA-N 437.544 4.734 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC=CCC2)C1 1760537694 QXSKRRDGSGHTSV-IEBWSBKVSA-N 428.964 4.745 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCSC2)C1 1760537788 QFASLBNAUWIDIE-QHAWAJNXSA-N 442.629 4.569 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2=CCCCC2)C1 1760540732 NTHKTFOQLGCKJI-SFHVURJKSA-N 443.389 4.989 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 1760566692 AEZNVYURKHMRTC-UHFFFAOYSA-N 443.617 4.768 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)C1 1764346974 IAZZSNLRLUCOIM-IBGZPJMESA-N 439.507 4.608 30 10 IJEE COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Br)c3)nc2c1 1858204733 NGBMFGXAFLQQLF-UHFFFAOYSA-N 428.311 4.608 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1 1860826619 GMJDZMBMAPZCMP-GFCCVEGCSA-N 440.912 4.502 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)Cc1cc(OC)ccc1Cl 1860983127 VUSVRDSWSREJEZ-HXUWFJFHSA-N 443.053 4.606 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccccc2)cc1 1862387978 XVXLKRLITRTYLH-DEOSSOPVSA-N 434.580 4.949 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1F 1862416078 CGRGEBLBIURKSP-NRFANRHFSA-N 443.446 4.677 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862437350 PCJYDUBMBSUPAN-XCLFUZPHSA-N 429.900 4.821 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)cc1 1862473573 CNWPJBQFWZOWPT-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)cc1 1862475835 VRBVZWCOKDZYFL-XMMPIXPASA-N 441.483 4.811 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862563534 GDIPOPMTSKLQBG-JOCHJYFZSA-N 448.544 4.898 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1Cl 1862568965 CLJMVLFQJZQWSR-ZUOKHONESA-N 429.900 4.734 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 1862688245 VIRWCVRPXPXSOL-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cc(Br)ccc1F 1862697667 PAGVOMDSWFRUOP-SFHVURJKSA-N 448.288 4.585 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862708760 DITRKTFULZVNFU-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3)=C(c3ccc(Br)cc3)C2=O)cc1 1862821964 FKUBOELRMQXROA-UHFFFAOYSA-N 444.288 4.717 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(N(C)C)c3)C2=O)cc1C 1862878776 FLVLKNBTZKBJCT-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE COc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O 1863077329 HUFMLTYQYKEHHJ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(CCCCc3ccccc3)C2=O)c1 1863145601 CLJOFDFSNSWEII-UHFFFAOYSA-N 439.490 4.912 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccc(CC)cc3)C2)nc(-c2cccnc2)n1 1869370821 BGNXLSXBKSOUDA-DEOSSOPVSA-N 441.579 4.857 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2-c2ccc(C)cc2C)c2ccccc2)cc1 1870142387 NOMUOTIAKBZFMA-KQWNVCNZSA-N 449.514 4.944 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOC(C)C)cn1CCc1c[nH]c2ccccc12 1870541091 CGHVTRKNEAWBBM-UHFFFAOYSA-N 449.595 4.550 30 10 IJEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CNc1ccc(C)c(Cl)c1 1870887005 PTSQSFJXPUGIEK-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871251448 FQBHSSSUJZDCPM-UHFFFAOYSA-N 437.927 4.519 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871382069 LQUPZZFSTYCSJW-UUYOSTAYSA-N 432.403 4.895 30 10 IJEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c(C)c1 1871458895 PBZNFRRYQUVLBX-XKZIYDEJSA-N 428.488 4.949 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccccc2)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871661982 LVKJJBOEMVNZFD-UHFFFAOYSA-N 434.975 4.832 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872523432 LYASUHQGWFOILV-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872549645 VUUDJLATNXNIRX-LAUBAEHRSA-N 434.627 4.985 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NS(=O)(=O)c1cc(C)c(C)cc1OC 1872612442 DNELYWDSUOGRMX-UHFFFAOYSA-N 440.650 4.626 30 10 IJEE CCOc1ccc(CCc2nc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3[nH]2)cc1OC 1872804482 BOSJMMONACIWRA-UHFFFAOYSA-N 440.503 4.879 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2c[nH]c3ccc(OC)cc23)cs1 1873748695 ORKCXNQSIOFVPR-UHFFFAOYSA-N 435.505 4.882 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)ccc1O 1874458698 AYOJZUBHBSLLSB-BHGWPJFGSA-N 436.459 4.884 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c(O)c1 1874462029 JDQYHYKNUXINSC-GZIVZEMBSA-N 428.823 4.536 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(CCOC)nnc2SCc2ccc(F)cc2)cc1 1874470907 CWRJKEABMDDGFF-PCLIKHOPSA-N 441.576 4.627 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccccc1F 1874477974 MTEGBQKKQSOBLK-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1C(C)(C)C 1874482360 BJTNNUKMOLBJQV-ZVHZXABRSA-N 437.569 4.506 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(Cl)cc2)o1 1874488281 UPFJWLSDVHCNGV-SSDVNMTOSA-N 432.933 4.684 30 10 IJEE Fc1ccc(COc2ccc(/C=N/n3c(S)nnc3CCOc3ccccc3)cc2)cc1 1874562754 PHXBJYUAMVCREO-WGOQTCKBSA-N 448.523 4.789 30 10 IJEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(OC)ccc1OC 1874580713 CJLFGFXBJFONDS-ACCUITESSA-N 425.525 4.627 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)c1OCCO 1874590891 XRMHERLXJOVUMK-ONEGZZNKSA-N 431.699 4.931 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1OC 1874594102 SINOFTQHMAGJLA-ZRDIBKRKSA-N 435.451 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1 1874602470 NXFUASCRNISKIY-PKNBQFBNSA-N 446.459 4.825 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] 1874609443 RKPSBWQXUFBBSE-WUXMJOGZSA-N 440.496 4.527 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1[N+](=O)[O-] 1874611160 DOVVOFJOCLTNKZ-ZRDIBKRKSA-N 440.496 4.527 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875120149 DZVOEAMVXSQCBP-ZZXKWVIFSA-N 444.821 4.841 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1C 1875148614 JIEOIXHBRHYMDX-JXMROGBWSA-N 430.456 4.890 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2ncc(Br)cc2Cl)C3)OC1(C)C 1879793837 MRGLPZSMQXFPKS-KPZWWZAWSA-N 427.579 4.556 30 10 IJEE CN(CC#CCNC(=O)c1ncoc1-c1cc(Cl)ccc1Cl)Cc1ccccc1 1891393540 XSUBYAFUWJEXDI-UHFFFAOYSA-N 428.319 4.514 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCC[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912185244 NOSTUHLLJVOJQA-OAQYLSRUSA-N 434.541 4.607 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC1 1940837520 VMKWHTMXYMMBJF-UIFUMHDPSA-N 437.581 4.522 30 10 IJEE C=C(Br)CCNc1ccc(I)cc1Br 1956014334 XEMZQTAMLLOMMN-UHFFFAOYSA-N 430.909 4.764 30 10 IJEE C=CCN(CCC(=O)N(C)[C@H](C)c1cscc1Br)C(=O)OC(C)(C)C 2066527286 RJCMLBUXGWUXEF-CYBMUJFWSA-N 431.396 4.843 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1O 2080001840 OHZGNPUDMYOJEI-CQSZACIVSA-N 432.265 4.741 30 10 IJEE CCCOc1ccc([C@H](C(C)C)n2nc(C)c(C=NO)c2I)cc1 2080124697 AILDBLBUYRYGRE-KRWDZBQOSA-N 441.313 4.638 30 10 IJEE N#Cc1c([C@@H]2CCOC2)nn(Cc2ccc(C(F)(F)F)c(Br)c2)c1Cl 2080284789 UWAGWOQOYKLSJQ-SNVBAGLBSA-N 434.643 4.742 30 10 IJEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2118191680 HZSXMWXMVOELOP-CHWSQXEVSA-N 426.330 4.589 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CCC1CCC(NC(=O)OC(C)(C)C)CC1 2140501988 CTCTWWNXTFVSFS-UHFFFAOYSA-N 429.399 4.773 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(Nc3ncc(Br)cc3C#N)ccc2C1 2162329159 JBYGTAAVMIVLTR-UHFFFAOYSA-N 429.318 4.753 30 10 IJEE C[C@@H](CCC[C@H](C)C(=O)Nc1cc(Br)ccc1C#N)NC(=O)OC(C)(C)C 2181046334 KIFVHRBZPRQMCV-KBPBESRZSA-N 438.366 4.979 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2185907125 JLTZJPIGYYGGNT-SFHVURJKSA-N 434.378 4.542 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2c(Cl)cccc2Br)C3)OC1(C)C 2194120055 GBZXJLOACIZYEV-BUXKBTBVSA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2ccccc2Br)CC(C(C)(C)C)C1 2235733696 VDEPTJZZDYTGHI-ASNBIDDJSA-N 435.406 4.848 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc(C(=O)C#Cc3ccccc3Br)c2C1 2235745746 FGGDXSUNUVRLJU-UHFFFAOYSA-N 426.310 4.934 30 10 IJEE C#CC[C@H](CC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237418101 FZEKUHZSVMSOCN-IEBWSBKVSA-N 434.374 4.894 30 10 IJEE CC1(C)OB(c2cccnc2N[C@@H]2CN(Cc3ccccc3)C3(CCCCC3)C2)OC1(C)C 2241107823 YRJIMBZMUFMBAF-QFIPXVFZSA-N 447.432 4.770 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2255523922 MACPYBGYEYKYMZ-GOSISDBHSA-N 425.353 4.812 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2258090184 IPSZMPXOEMHHTL-OMOYSXNNSA-N 448.568 4.900 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)cc2)CC1 2267564694 VELGHQPUIHESTI-QZTJIDSGSA-N 442.365 4.621 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2296227817 SKDSVEQLBBRLNS-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C12CCC(CC1)N(C(=O)OC(C)(C)C)C2 2296271622 GPNWYDDYEXLUSR-LVIWNVNYSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296294498 VAJDOCUYJHAAQK-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296296151 KOPMHLMHPKLWIG-UHOSZYNNSA-N 435.406 4.718 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(F)cc2)cc1 2296557879 SZJLOFZQILOBOZ-LJQANCHMSA-N 438.480 4.696 30 10 IJEE CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2296872128 VKVYAUXSAKSJFL-UHFFFAOYSA-N 429.856 4.663 30 10 IJEE CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccccc2)nc1C 2314474465 HDJKABSNGPFZPT-OAQYLSRUSA-N 444.512 4.837 30 10 IJEE CC#CCN(C[C@H](NC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2316103709 PQCTZTMNEPOTGG-AWEZNQCLSA-N 433.749 4.763 30 10 IJEE CC(C)(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317336022 PBMMIZSLIYLDNV-UHFFFAOYSA-N 432.370 4.798 30 10 IJEE CCN[C@H](C#Cc1ccnn1C1CC1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2319381054 PMTKMUBSKBTLFQ-QFIPXVFZSA-N 436.600 4.765 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(Cc1cccnc1)CO2 2321973307 VUMUTSYKXCRVNM-UHFFFAOYSA-N 437.499 4.850 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(C[C@H]1COc3ccccc3O1)CO2 2322436850 QXZSQNXYSWIFDN-KRWDZBQOSA-N 447.512 4.665 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)Nc1nccs1 2323087207 SEWPSUBIPRIBNW-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2323889737 JRJIWTLGMIAIOD-UHFFFAOYSA-N 432.403 4.977 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 2325718510 MBCXMAKADCCVBP-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(OC)c1 2326058112 GWQSKVJMGVEKBL-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccnc2)c1 2329174732 KAYXYPDSCHMNSV-UHFFFAOYSA-N 433.512 4.608 30 10 IJEE O=C(CSc1nnc(CCc2cccs2)n1N=Cc1ccccc1)Nc1ccccc1 2329632816 CHYCZHZCYYKKNA-UHFFFAOYSA-N 447.589 4.738 30 10 IJEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2329879867 IYORMEPYAKNDKG-UHFFFAOYSA-N 446.532 4.751 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccccn2)cc1 2330251461 POLLOHUBRPAOLR-UHFFFAOYSA-N 436.541 4.879 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccc(O)c2)cc1 2330552399 WBEUZKPCXPTRDO-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1OC 2330725128 ROPTWVYJJNOKOG-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)cc1 2330954776 CKEWRWCRVFCCCD-FQEVSTJZSA-N 426.517 4.842 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331464593 VVWIWCXIXXDSQL-QFIPXVFZSA-N 440.467 4.552 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)cc1C 2331835428 LFBIUMFWPSJBMB-UHFFFAOYSA-N 438.398 4.693 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)C=Cc1cccc(Cl)c1 2332147808 ZFALQDRYGZRDQA-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(Nc2ccc(C#N)c(Br)c2)C1 2340384348 CKHXGUOOACKKTC-UHFFFAOYSA-N 434.256 4.721 30 10 IJEE Cc1cc(CN[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652819 IPXVNSJXNISSII-BJKOFHAPSA-N 435.417 4.768 30 10 IJEE Cc1cc(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)ccc1NC(=O)OC(C)(C)C 2345739407 QFAHIGBYNLTAJN-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](Nc1cc(Br)c(C#N)cc1F)[C@H]2F 2358238543 ZYUVDKSDYCDGHX-KLWIRTJPSA-N 442.304 4.750 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2360885205 SBLAERIUTBZFAN-CEXWTWQISA-N 435.406 4.720 30 10 IJEE CN(CCCCC(F)F)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377296606 ZRCIDPLRNBHSGK-UHFFFAOYSA-N 432.158 4.616 30 10 IJEE CCOc1ccc(C(=O)/N=C(\Nc2cccc(C)c2)N2CCN(C3CCCCC3)CC2)cc1 32946228 GHTGCZZGWDAARN-UHFFFAOYSA-N 448.611 4.952 30 10 IJEE CCc1ccccc1N/C(=N\C(=O)c1ccc(OC)cc1)NCCc1c(C)nn(CC)c1C 32973344 ICQQKBVBEYZCDK-UHFFFAOYSA-N 447.583 4.531 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1cccc(C(F)(F)F)c1 59311260 MWUZWCTVNVIMGZ-UHFFFAOYSA-N 426.468 4.676 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(CN2CCC(C)CC2)cc1 63401440 QATIWFYRTQNWIK-UHFFFAOYSA-N 436.556 4.725 30 10 IJEE CCN/C(=N\c1cccc(C(F)(F)F)c1)S[C@@H]1CC(=O)N(c2ccccc2F)C1=O 105615288 VIERPSMJJARVTO-MRXNPFEDSA-N 439.434 4.507 30 10 IJEE COc1cc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 169936632 NJURJSBAXWNARS-JOCHJYFZSA-N 442.968 4.796 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1 169988049 MKYNLKSGAQKUGN-LJQANCHMSA-N 445.418 4.957 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 170140826 ISPFTMRGNADQPH-XMMPIXPASA-N 441.483 4.858 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccnc1 170195759 KQTXKKRGPQZQEB-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccnc1)c1cc2ccccc2o1 170197416 VVTAPIALQCRABT-QFIPXVFZSA-N 428.419 4.745 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265734 CGHJYRIEEPZLCL-LADGPHEKSA-N 449.547 4.794 30 10 IJEE Cn1cc(CNc2c(Br)cc(Br)cc2Br)cc1C#N 232313991 PFHMERQOVGDQAE-UHFFFAOYSA-N 447.956 4.796 30 10 IJEE CC(=O)Nc1ccc(/C=C2/SC(=NC(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1 252611340 IJBPMOOSRXVMAO-OORCVBGGSA-N 441.512 4.962 30 10 IJEE COc1cc(/C=N/N=CC2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)cc(OC)c1 390825759 YXESWTHQLXDHCY-WFSXSGIISA-N 431.536 4.572 30 10 IJEE N#Cc1cnc2c(F)cc(F)cc2c1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 488184610 SINFCJLTQRRXEC-HXUWFJFHSA-N 438.865 4.990 30 10 IJEE N#C[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1cccc(C(F)(F)F)c1 505913170 RDIDCKOSEIIBEK-SFHVURJKSA-N 444.482 4.913 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1Cl 524000795 CRICDUJVVZNPHS-OAHLLOKOSA-N 425.851 4.812 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)cc2)ccc1OC 526604831 QQHORSMNGGGBOK-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2cccc(OCC(C)C)c2)cc1 526826844 AEICRMIBXJGSSF-CFRMEGHHSA-N 438.553 4.582 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2ccsc2)C1 549603950 NHRDQIYKRZWVDT-GOSISDBHSA-N 445.386 4.923 30 10 IJEE C=CCN(C(=O)c1cc(Cl)c(C)cc1Br)c1nc(C(=O)OCC)cs1 582868085 OIOCZRDGTMOFQL-UHFFFAOYSA-N 443.750 4.877 30 10 IJEE CCc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2cccc(SC)c2)cc1 586265399 KFOXMHNJNXJJBQ-UHFFFAOYSA-N 436.558 4.878 30 10 IJEE N#C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(OCc2ccccc2)cc1 609172692 AJZYUBJVGZXNBA-SANMLTNESA-N 425.532 4.856 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc(C(=O)OCC)cs1 610225597 PHVZDFGCOVFEAL-HUUCEWRRSA-N 425.337 4.949 30 10 IJEE CC1(C#N)CCN(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC1 611555999 BRPIRNDVHYGVTJ-UHFFFAOYSA-N 439.356 4.726 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@](C)(C#N)Cc1ccc(Br)cc1 698379444 XPLDXAGPFNEPIV-NRFANRHFSA-N 438.410 4.853 30 10 IJEE CC(C)(C(=O)NCc1ccc(C#N)cc1F)[C@@H](O)c1ccc(OCc2ccccc2)cc1 778709125 YWFZVQHLYXCSBU-DEOSSOPVSA-N 432.495 4.652 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc([N+](=O)[O-])cc1Cl 782225807 CUTSKSBDWURUQZ-UHFFFAOYSA-N 436.781 4.955 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 802562522 PKIOJWLEKWRZEY-PKOBYXMFSA-N 443.592 4.861 30 10 IJEE C#C[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(Cl)cc1 811958572 DBWWREIKLROKBV-HXUWFJFHSA-N 433.886 4.584 30 10 IJEE C=CCOc1c(Cl)cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1Br 1084099614 IFRVPOZOMKKPME-TWLDDXCASA-N 429.767 4.979 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)CCCN1C(=O)OC(C)(C)C 1128135801 XUZFOZLWJVPVGN-VWLOTQADSA-N 446.538 4.686 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 1129074183 OYAHWXAODOHULB-MHZLTWQESA-N 432.608 4.943 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)c1cc(F)c(Br)cc1F 1131151361 BUVZLYTVKRUDRL-LLVKDONJSA-N 426.257 4.792 30 10 IJEE COC(=O)[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1ccc(C(F)(F)F)cc1 1134501748 DKGYVAXXPGWSJY-KRWDZBQOSA-N 432.423 4.744 30 10 IJEE Cc1ccc(CC2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)cc1 1168392301 GYDNGRIQPDUMIO-UHFFFAOYSA-N 444.579 4.820 30 10 IJEE Cc1nsc(N2CCN(Cc3ccccc3OCc3ccc(F)cc3F)CC2)c1C#N 1182125472 AKMSCNTXDQLTDM-UHFFFAOYSA-N 440.519 4.503 30 10 IJEE CCOc1ccc(-n2c(Sc3cccc(C#N)n3)nnc2-c2cccc(OC)c2)cc1 1184695426 DDYMEKNSTJWFSQ-UHFFFAOYSA-N 429.505 4.759 30 10 IJEE COc1cc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)ccc1OC1CCCC1 1185476209 COXNZCNKGLIGKV-AWEZNQCLSA-N 434.945 4.581 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 1186150279 JBAIQOHXIQANJU-UHFFFAOYSA-N 442.455 4.596 30 10 IJEE Cc1sc(NC(=O)CN2CCC(C)(c3cccc(Br)c3)CC2)c(C#N)c1C 1192291815 FTBNAADEDZGLMH-UHFFFAOYSA-N 446.414 4.991 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(F)ccc3Br)cc2)nc1 1214962622 FSTRWLQQJJKABF-UHFFFAOYSA-N 441.260 4.969 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(c2ccc(Br)cc2)CCCCC1 1222276581 CZHFLIMQVCVCEU-XLIONFOSSA-N 435.406 4.931 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1ccc(Cl)cc1F 1223444743 PZVIQIYMEULTHX-WOJBJXKFSA-N 433.980 4.987 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)cc1 1248612746 YBGBZKLTCLSNHM-JOCHJYFZSA-N 438.568 4.966 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1256405163 PWJDXDVPFYLSDL-FQEVSTJZSA-N 431.577 4.743 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1264785182 WDNKPKHCSVZTOF-XMSQKQJNSA-N 430.907 4.981 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 1265464042 AFSNJSQJZLGIES-MRXNPFEDSA-N 449.956 4.545 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)c1ccc(Cl)cc1F 1275498742 RVABURPXHIOKJL-KRWDZBQOSA-N 446.707 4.840 30 10 IJEE C=C[C@@H](OC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccccc1 1279069415 IRXAFZXCCMFOSD-OAQYLSRUSA-N 428.517 4.892 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCC(F)(F)F 1286441347 VZGUGWJYUKUPNC-UHFFFAOYSA-N 432.446 4.919 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C(F)(F)C12CCC2 1286453688 WJRMIWFAHKVIFI-MAUKXSAKSA-N 434.918 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)Cc1ccccc1 1286516433 DTULIVMCONVKBI-RUZDIDTESA-N 449.002 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1286551883 JNNPCEGDUARKEH-NNWRFLSQSA-N 445.007 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(OC(F)F)c1 1286578355 HPYBZYCLLTWSJO-SFHVURJKSA-N 436.503 4.580 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286591518 ZXSWNEFRJSXSMZ-QZTJIDSGSA-N 433.394 4.924 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)c1ccccc1 1286616719 BVRMHGJNKQDGPL-JOCHJYFZSA-N 433.604 4.630 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286622498 WPZYDZSVUVBXFZ-UHFFFAOYSA-N 443.382 4.689 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C#N)o2)CC1 1286641372 XXUGPRCXNZNZID-UHFFFAOYSA-N 442.292 4.516 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2snnc2C)CC1 1286643192 CYTYLJWHYGVZRK-UHFFFAOYSA-N 438.601 4.735 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1286647357 FBDQYNUKVXMLMD-DEOSSOPVSA-N 430.600 4.503 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286701842 GTTVOTPKWKMWBH-IBGZPJMESA-N 445.633 4.590 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CC(=O)N(C)C1CCCCC1 1286744697 NJJCMTGOIMVZJC-UHFFFAOYSA-N 427.568 4.524 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCCCC2)C1 1288974320 CBOLXRVSZOZIRT-HSZRJFAPSA-N 426.996 4.605 30 10 IJEE Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@](F)(C#N)C2)s1 1289661022 BCLSMVRPUOISSN-VFNWGFHPSA-N 445.951 4.932 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(=O)OCC)no1)c1ccc(C)c(C)c1 1293122326 CKWDNGPXXKIZNO-UHFFFAOYSA-N 434.492 4.880 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1C[C@H]2CC[C@H]1C2 1300545482 PTFPWDAGJAPYKV-RJGXRXQPSA-N 430.596 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cnn2ccccc12 1300900173 NBQDKBPKACAGKG-GOSISDBHSA-N 434.519 4.656 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(C(F)(F)F)n1 1301167952 IFQPQHGXQYGBKC-UHFFFAOYSA-N 430.478 4.985 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 1301258760 ZRFDJJSKUOHQJT-UHFFFAOYSA-N 436.604 4.720 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1301313464 AJIMENHNHYQQLV-OSPHWJPCSA-N 428.552 4.653 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 1303047105 RLADITGBWMESBV-HXUWFJFHSA-N 430.504 4.788 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2ccc(C)cn2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656454 YTKUATUMVMTGKN-UHFFFAOYSA-N 449.551 4.657 30 10 IJEE COc1ccc(CC[C@H]2CCCCN2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC 1308597423 FJBBADWSXHKJDN-XMMPIXPASA-N 444.579 4.963 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1CN1CCC[C@@H](C)C1)c1ccc(Cl)cc1F 1311499381 WCBBXURYRHFAQV-HXOBKFHXSA-N 427.951 4.885 30 10 IJEE CC(C)(C)OC(=O)[C@@](C)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 1312957667 IBXVJHKPDKQKQE-SANMLTNESA-N 433.552 4.532 30 10 IJEE C#CCC1(NC(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CCCCC1 1313338366 YGNASTXXEVNFBJ-IVHGUIJPSA-N 439.600 4.637 30 10 IJEE 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C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(NC(=O)OC)c2)CC1 1359180331 AQJKZGLNMJKQKK-UHFFFAOYSA-N 437.569 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 1359185471 XSBAIMCCJBGKHK-UHFFFAOYSA-N 429.996 4.683 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359199655 CTAMOUUFPAYUPF-HXUWFJFHSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 1359202690 AAROCOQNWOMISJ-OAQYLSRUSA-N 437.636 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1cc(OC)ccc1OC 1359262742 COUGPYYGTMMENN-UHFFFAOYSA-N 435.553 4.593 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)cc1OC 1359278216 MIEYFROLBSWZLA-HXUWFJFHSA-N 442.947 4.668 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC2CCC(F)(F)CC2)C1 1359323060 HJRUNUSWOBFQME-NRFANRHFSA-N 430.543 4.784 30 10 IJEE N#C[C@H]1CCC[C@@H](OC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1436647639 CAFORDLAHIWUCW-OXJNMPFZSA-N 441.325 4.869 30 10 IJEE C#CC[C@]1(C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1461033697 RPQVQJBHWXOKOV-VAXXYWNWSA-N 430.976 4.885 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 1463934517 UXOFASGGOINHTN-QPPBQGQZSA-N 445.563 4.723 30 10 IJEE COC(=O)[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)Cc1cccc2ccccc12 1465035211 GYSVPNUUCDLPKI-KRWDZBQOSA-N 441.314 4.780 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc4nc(C(F)F)sc4c3)n[nH]2)c1C 1467823112 WPXAMUOSRFHNQO-UHFFFAOYSA-N 428.468 4.876 30 10 IJEE C=CCN1CC[C@H](Sc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2C(C)C)C1=O 1472922999 MCDOZHDOYMGLAK-QFIPXVFZSA-N 448.592 4.945 30 10 IJEE C=CCn1c(SCCO[C@H]2CCCCO2)nc2cc(-c3ccccc3)sc2c1=O 1472955973 LKPXLLGMHYMCBY-IBGZPJMESA-N 428.579 4.946 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1499453056 FTEOSSDYEFXBNC-GIWBLDEGSA-N 437.588 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1coc(-c2ccc(C)cc2)n1 1507826122 GJLGFPQWEZQGHB-UHFFFAOYSA-N 428.540 4.678 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N(C)Cc1ccc(Cl)s1 1507872158 GJFGPPQRHUVIMO-UHFFFAOYSA-N 439.368 4.970 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1507897746 LCNBEEYBPUPZFB-WBVHZDCISA-N 448.409 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(F)cccc1Cl 1507910248 KVWMMZHLKCMGHK-UHFFFAOYSA-N 433.959 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507912696 XRNPYPQAYSNPSU-SFHVURJKSA-N 429.996 4.505 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(C)ccc1F 1507919745 IDCKNPDEINTLHO-RXVVDRJESA-N 430.568 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(F)(F)F)CC1 1507920003 RSFUVVSAMAHNON-UHFFFAOYSA-N 438.542 4.911 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](c1cccnc1)C(C)C 1508020047 NKQQDOCPJYZTAJ-XUZZJYLKSA-N 445.567 4.804 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1c(C)cccc1C 1508034525 WSHULRURTJFHIM-JOCHJYFZSA-N 434.584 4.860 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1508047259 AHZJORBFPKITEG-MRXNPFEDSA-N 439.947 4.614 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccccc2OC)C1 1508165510 UKOKHHPNCJDCFZ-IBGZPJMESA-N 440.638 4.852 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1CC 1508167990 MFWJYOWKIKLUCP-OTWHNJEPSA-N 449.665 4.894 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)C1 1514053994 CYOVLIOPIYAZDL-CQSZACIVSA-N 446.502 4.967 30 10 IJEE CCCN(CCC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc2c(n1)CCCC2 1514755698 DMNCMYNQGVMZDU-UHFFFAOYSA-N 444.583 4.677 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(I)ccc2C)cc1OC 1516898817 KRZBYUBLHZLJBM-JXMROGBWSA-N 449.288 4.825 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC1CC1)C1CCCCC1 1517005295 FCDKCZPMXVEHST-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(C)C)C2)c1 1517312344 YAJMCXLIPNRIDD-LJQANCHMSA-N 447.000 4.839 30 10 IJEE CCn1c(NC(=O)C(C)(C)c2ccc(Br)c(C)c2)nc2cc(C#N)ccc21 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C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC[C@@H](F)C2)CC1 1740825242 KUPCZWQHBMDRRU-AZUAARDMSA-N 447.599 4.687 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1740865521 WWAHFUWHQXZWOK-UHFFFAOYSA-N 436.507 4.732 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccnc(Oc2ccccc2F)c1 1740902425 LGNCZPUXPIKMNO-UHFFFAOYSA-N 435.528 4.927 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C1CCCCC1)N(C)C 1740919187 XSHOOBZXWBPJRL-RUZDIDTESA-N 446.643 4.987 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](OCC(C)C)C1 1740944475 LMFOONOTYZXXST-HNNXBMFYSA-N 439.785 4.798 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2csc(C)c2)C1 1740981453 PBFMPXNKPAFLRU-HXUWFJFHSA-N 428.989 4.722 30 10 IJEE CC(C)N(C)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N 1743009806 ICAGFTVFCNUCQZ-ZWKOTPCHSA-N 428.650 4.600 30 10 IJEE CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC(C)(C)N1CCc2ccccc2C1 1743599651 DUBCRMMGIYLPGG-FQEVSTJZSA-N 434.632 4.759 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nccs1 1748640736 XEMHWMMFNXUEOF-IAGOWNOFSA-N 444.004 4.845 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nccs1 1748640738 XEMHWMMFNXUEOF-SJORKVTESA-N 444.004 4.845 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(OC(C)C)CC1 1748735091 OBWKZZHSTZRZEC-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 1749021790 AJVBEZDXPOJWBF-ZWKOTPCHSA-N 430.593 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)CC 1749134956 AKSQHTHFFMNMIZ-YWZLYKJASA-N 439.387 4.991 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1749440138 SKVQBYQTFROUFK-QHCPKHFHSA-N 428.602 4.552 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1749447796 OAMAUJHYUWXTOQ-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nc(C(F)(F)F)cs1 1749506091 CLJWXNMIFDXHOP-CZUORRHYSA-N 443.539 4.537 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)Cc3csc(CC)n3)nnc2C(C)(C)C)cc1 1749685602 HRXCEGMYFFLDCT-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1 1749749435 LPAGLBOUHWSBGH-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C(F)(F)F)O[C@H](C)C2)CC1 1750701342 GYLGMNNQMNDZHG-APWZRJJASA-N 447.505 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)C(F)(F)F 1760097496 GASBLHOTILYPRO-HOTGVXAUSA-N 438.494 4.863 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1ccsc1)N(C)C 1760100519 BWBKFFRRXCXRNN-WZONZLPQSA-N 444.608 4.624 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCN1CCC 1760101257 LRCKAJYIYLDFCU-RTWAWAEBSA-N 430.600 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCNC(=O)OC(C)(C)C 1760106549 MAORKQDTZXQVOP-HNNXBMFYSA-N 449.958 4.500 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1760136140 CQNHDOVNQUQETK-UXHICEINSA-N 427.618 4.781 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2[C@@H]1C 1760160634 GPVWAOOBMNNCLO-FPOVZHCZSA-N 449.599 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC=CCC1 1760213565 HKEXGTVYMFOTGJ-JOCHJYFZSA-N 440.547 4.936 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC1CCC1)CC1CC1 1760302706 MVJPUCRWINWGMB-UHFFFAOYSA-N 436.785 4.919 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1760343254 JKXWETLKFVIAJD-UHFFFAOYSA-N 443.592 4.896 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)CC(C)(C)C1 1760359127 CLEXMPFFIVWWRV-FQEVSTJZSA-N 426.605 4.939 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)CC(C)(C)C1 1760359132 CLEXMPFFIVWWRV-HXUWFJFHSA-N 426.605 4.939 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1760377449 CBZSAQXQQYSYIN-UYAOXDASSA-N 435.037 4.935 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1760420693 UFJSZJFSFCXKOW-WRALFONMSA-N 444.627 4.543 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cccc(F)c2[C@@H]1C 1760430778 TYEKMVXSKSFBSE-JLMWRMLUSA-N 428.552 4.621 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760455042 ZCNONECTLNDDTF-HTAPYJJXSA-N 446.437 4.840 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCc1csc(C(C)(C)C)n1 1760467939 BBYMWBGLYGAPOS-UHFFFAOYSA-N 429.565 4.615 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([S@](C)=O)CCC1)C1CC1 1760470869 FVEPCMDHVOQVKI-JTBPQFFMSA-N 449.020 4.528 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(CC(F)(F)F)CC1 1760508407 ZNIFTLGQDMFJJD-UHFFFAOYSA-N 439.551 4.536 30 10 IJEE Cc1csc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)n1 1762232935 CNASEJKFTYILJJ-OAHLLOKOSA-N 442.976 4.625 30 10 IJEE CC[C@@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)N1CCc2ccccc2C1 1764282095 GGRYLOJVTFRXPL-NVQXNPDNSA-N 434.632 4.543 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCCCCC2)CC1 1771533961 HKLOCRXJRNWBSA-UHFFFAOYSA-N 431.943 4.563 30 10 IJEE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772728823 AFYFVUFHIQIPCC-UHFFFAOYSA-N 439.368 4.657 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nccs1 1772738593 VBNXLTAUWAYOKS-SKCGTWTRSA-N 426.479 4.935 30 10 IJEE CCCOc1ccc(/C=C2/SC(=Nc3ccc(C(=O)O)c(O)c3)N(CC)C2=O)cc1 1772763323 ZETCOPDLOSAYOU-PTOVGEMASA-N 426.494 4.503 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 1860603735 LFLPVJRWIUFVNQ-UHFFFAOYSA-N 435.833 4.721 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)[C@H](C)CC 1861170464 ZZDZFQOFEKTVRU-RCZVLFRGSA-N 443.676 4.906 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccc(O)cc2)cc1 1862412050 VCJXKVNAUICHJZ-HSZRJFAPSA-N 449.453 4.800 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431354 FURBXFGNBUMJAK-IBGZPJMESA-N 434.319 4.734 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccccc2Cl)cc1 1862477099 SDYNYHYFSPXGGY-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862518791 TXCYPWADEJWUMN-QVKFZJNVSA-N 438.480 4.760 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cc(Br)ccc1F 1862541138 FBGRJZMWROPUKK-IBGZPJMESA-N 444.300 4.915 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CC2)cc1OC 1862553043 FYBZTCGXEWWBLD-XMMPIXPASA-N 447.531 4.713 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccccc2)c1 1862555250 SVNHQNFTRAJEQA-DEOSSOPVSA-N 426.516 4.870 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591619 KSPRZVAJYFHYMO-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621407 PSTXFAQCTHZGOV-QHCPKHFHSA-N 431.488 4.884 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)ccc1O 1862651684 ATKMKQJNVFCQPK-QHCPKHFHSA-N 431.488 4.788 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862666526 GDTHHTNLYDIXMA-HSZRJFAPSA-N 435.520 4.960 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868398829 QGZZXIMGKYFMBY-SFHVURJKSA-N 432.597 4.989 30 10 IJEE CCCCCCCOc1cn(CCN(CC)CC)c(CSc2nccn2C)cc1=O 1870251436 JHDBPSODZGWAKN-UHFFFAOYSA-N 434.650 4.565 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc([C@H](C)CC)cc2)cn1CC 1870663804 XHALZYNEWUKREW-HXUWFJFHSA-N 437.584 4.573 30 10 IJEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C)c1C 1871251051 LAGQTVKDQGZXAB-UHFFFAOYSA-N 431.536 4.564 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(NC(C)=O)c4)c3C)C2=O)c1 1871365336 SQXCMMJZWAFJKK-QRVIBDJDSA-N 443.455 4.797 30 10 IJEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccn2)C3=O)cc1OC 1871368694 OHVJZJPAXGOCOO-IWIPYMOSSA-N 445.471 4.643 30 10 IJEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871400416 BGIIPGVWEVZMRG-XTBHVRTMSA-N 431.282 4.784 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c(OC)c1 1871419854 RPJAYBGIJHYXBY-JJFYIABZSA-N 449.459 4.547 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C1=O 1871421041 RMPIEBDQZVAWKU-ODLFYWEKSA-N 436.445 4.598 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCc3ccc(C(=O)OC)o3)cc(C)c2C1=O 1871438689 MGTUAFMNDVFBIG-UUYOSTAYSA-N 434.444 4.969 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871866288 FLQKHZSMLAPFQK-HSZRJFAPSA-N 438.524 4.691 30 10 IJEE CC(C)(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 1872768018 HRHVZWKETSWCOL-GOSISDBHSA-N 435.549 4.859 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c1 1872771048 KSEXJWHRXHJNGS-SFHVURJKSA-N 444.516 4.877 30 10 IJEE N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777667 SLKFJXXLEGDVLD-HKUYNNGSSA-N 440.528 4.516 30 10 IJEE CCc1sc([C@H](C#N)C(=O)CN(C)Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 1872800780 VOPGDMNAYATTQX-LJQANCHMSA-N 449.576 4.698 30 10 IJEE CCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2ccccc2Cl)C1=O 1873079409 LIVVOPOYUAOLTN-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccccc2Br)C1=O 1873253879 RQEWDYGCIYTRCF-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE CC(C)(C)n1ncc(N/N=C/c2c(O)ccc3cc(Br)ccc23)c(Cl)c1=O 1873526615 NRBLLSDIOSAEBJ-LSFURLLWSA-N 449.736 4.719 30 10 IJEE COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2cccc(C#N)c2)cc1 1873866759 LUDNTLCYZGQEGH-VWLOTQADSA-N 440.503 4.552 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874256361 XDDUYWSZLACDNE-YDZHTSKRSA-N 437.525 4.851 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccccc1OC 1874261382 GAAAYLJJIKRKQU-BHGWPJFGSA-N 430.480 4.694 30 10 IJEE COc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccco1 1874291439 UTHNYGXWEWJODV-LFVJCYFKSA-N 434.521 4.676 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccco2)cc1 1874306613 HCIRMUYQBBFQEH-MFKUBSTISA-N 436.512 4.979 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccn1 1874423618 VOGQUFWCUCSAIB-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1c[nH]c2ccccc12 1874424423 KQBWDHKXKTVMQA-FOKLQQMPSA-N 439.566 4.661 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)c(OC)c1 1874458709 BKGJIELDKWFLBU-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c1OC 1874459310 HELRUXITGMGXAU-YSURURNPSA-N 440.422 4.628 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CC2)c1 1874517633 DIKDSLOYNAHMPU-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1OC 1874669074 VXJBFDQENGHDKY-XMMPIXPASA-N 449.595 4.994 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(C)c2)CSc2nnc(CCOC)n21 1874899229 YSYKZEMOYYGTPT-FQEVSTJZSA-N 448.608 4.977 30 10 IJEE C#CC[C@H](C[C@@H](NC)c1ccc(I)c(Br)c1)C1CC1 1887499577 JTQRNHJYVRXDRF-MLGOLLRUSA-N 432.143 4.754 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 1891579866 WCOMYNBMBHFSKG-ZDUSSCGKSA-N 449.370 4.999 30 10 IJEE C[C@@H](C#N)c1cccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 1892040934 MRNMDODWEHVCFO-SFHVURJKSA-N 445.544 4.707 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C 1949547850 LMSFFKMVERVROD-VXKWHMMOSA-N 434.621 4.836 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC12CCCC2 2037760758 XAXJVYKYCHSBSK-KOSHJBKYSA-N 449.592 4.618 30 10 IJEE C=CCN1C(=O)C(=Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)SC1=S 2040447673 WDESEKLWIQUQPX-UHFFFAOYSA-N 429.592 4.832 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(NC(=O)OC(C)(C)C)nc1 2050055797 YHIHUEDSTNKFSJ-SFHVURJKSA-N 447.580 4.572 30 10 IJEE O=[N+]([O-])c1c(Br)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1C(F)(F)F 2079163738 RKBSKBXNFIGNAB-UHFFFAOYSA-N 436.081 4.779 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(F)c2F)C2CC2)c(I)c1C#N 2079874052 YIUCLUNLNZGIKO-INIZCTEOSA-N 427.236 4.508 30 10 IJEE Cc1cc(O)c([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1C 2079957910 RBSLIGPLXLPWRC-SFHVURJKSA-N 435.309 4.805 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNc1ccc(C#N)c(Br)c1F 2105975651 GGOYCSFOENDPLK-LLVKDONJSA-N 434.256 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C(C)(C)C1 2106117201 NNDWNNBSDSQDRS-CQSZACIVSA-N 426.330 4.907 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCCC 2110504041 OUFBPKKBUCYARE-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181138913 HJKSXTOINNUVOP-KRWDZBQOSA-N 436.350 4.829 30 10 IJEE CCc1nn(C)c(C(=O)C=Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1Br 2192349180 CSOSDQZGOYZRHT-UHFFFAOYSA-N 434.334 4.988 30 10 IJEE CC(C)(C)OC(=O)NCCCc1cccc(Nc2ncc(Br)cc2C#N)c1 2204093062 GKORPIRWLJPYAY-UHFFFAOYSA-N 431.334 4.917 30 10 IJEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)C[C@H]1CCCCN1Cc1ccccc1 2220059771 UVUMMJODWLQWJI-JOCHJYFZSA-N 440.462 4.534 30 10 IJEE C[C@@H](Oc1ncccc1B1OC(C)(C)C(C)(C)O1)c1ccccc1NC(=O)OC(C)(C)C 2232306125 JXIXEBIZJOGMOW-MRXNPFEDSA-N 440.349 4.868 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2235729669 UEYOASLXXANPKO-WOIUINJBSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2ccccc2Br)CC(C2CCC2)C1 2235730355 OVVWWYAMBOMSMG-OZWAEMERSA-N 433.390 4.602 30 10 IJEE CC1(C)OB(c2cc(Cl)cc(C(=O)N(Cc3ccccc3)CC(F)F)c2)OC1(C)C 2247915868 LESXECZZTJIBPG-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 2250516787 LILKKXHKEYXNNS-NRFANRHFSA-N 436.557 4.997 30 10 IJEE CC1(C)OB(c2cc(C(=O)NCc3ccccc3OCc3ccccc3)cs2)OC1(C)C 2267283161 LFTLUHSDQNCEMU-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC1(C)OB(c2ccnc(NCc3cc(Cl)cc(Br)c3)c2F)OC1(C)C 2280767423 BOMWKPZYVRPBLN-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE C=C([C@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2281234356 ZZRQMRVLXLHTSG-GXTWGEPZSA-N 441.305 4.892 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296226870 JXQUXTMGVQDIQZ-OALUTQOASA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296299335 UFKKNRIUFMMCDV-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)o1 2296311347 WDZCPUAGHFBNQE-SFHVURJKSA-N 433.346 4.769 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccccc1OC(=O)c1ccc(OC)c(OC)c1)C2=O 2314527265 MTNFSVBNNHXPFP-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@]1(C)CC 2315224715 GGNNWUPLLQMRKI-JWQCQUIFSA-N 447.572 4.799 30 10 IJEE C[C@@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317311681 UAOOKLDKHZTTPK-AEFFLSMTSA-N 429.370 4.536 30 10 IJEE CCCN(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317335377 FORCXEBSRCDCEX-OUKQBFOZSA-N 432.370 4.752 30 10 IJEE CCOc1c(Br)cc(C=Nn2cnnc2SCc2ccccc2)cc1OC 2321284087 HEACYZYPRKKKAE-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C 2321346016 VPVLGNMWEAUMAI-UMEGOILYSA-N 447.572 4.655 30 10 IJEE CC(C)c1ccc(C=C2Oc3cc(OC(=O)CNC(=O)c4ccccc4)ccc3C2=O)cc1 2323047734 SNBQWGHANFQCSB-UHFFFAOYSA-N 441.483 4.762 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)NCc1ccco1 2323865556 RYFLZLLTTQFBSH-UHFFFAOYSA-N 433.504 4.886 30 10 IJEE COCCN(CCOC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(C(C)C)cc1)C2=O 2324120488 FELNBDUFOMAWGV-UHFFFAOYSA-N 439.552 4.535 30 10 IJEE COc1ccc(CCOc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2325631442 RXIFWGRLSDAXKJ-UHFFFAOYSA-N 430.456 4.970 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)NCc3ccccc3Cl)ccc2C1=O 2325632771 YDNVCNSEAAUNQB-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)c(OC)c1 2331112588 BDBJUAMCENNJLX-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccccn1 2331175859 KCNHHNSPWPOIJO-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(O)c2)c1 2331377633 VGHQVCXSSVRELK-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC 2331540061 ARAKGTFYMQTRNR-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE C=CCSc1nnc(CCC)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331657470 NHMVGGCNKAKIJV-UHFFFAOYSA-N 436.537 4.619 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(c2cc(Br)cc(F)c2C#N)CC1(C)C 2336371221 OCIZGQQZXXMACJ-MRXNPFEDSA-N 426.330 4.542 30 10 IJEE CCc1csc(C#C[C@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)n1 2338644649 NKOVXTVBOZMMQG-HNNXBMFYSA-N 436.375 4.867 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339583649 YBGTVLCBDIHCQA-AWHXWDPHSA-N 444.381 4.893 30 10 IJEE N#Cc1ccc(OCc2cccc(I)c2)c(F)c1Br 2341629865 SLROMLZTPXBJGD-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE C=C1CC([C@@H](Cc2ccc(I)c(Br)c2)NCCC)C1 2349821296 AOOZGLJWKPVGKS-MRXNPFEDSA-N 434.159 4.931 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2360197418 LPXRXVYTVHKAPC-SLFFLAALSA-N 435.406 4.862 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 2370049722 YDLYDEKOPNDWJR-CQSZACIVSA-N 449.267 4.713 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)CCCSc3ccccc3)c2C#N)C1 9473336 BIKGZPQGYXNPFU-UHFFFAOYSA-N 429.567 4.645 30 10 IJEE C=CCn1c(=O)c(CN2CCC(N3CCc4ccccc4C3)CC2)cc2cc(C)ccc21 14988824 OAXHSCDSPDNXHH-UHFFFAOYSA-N 427.592 4.519 30 10 IJEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1OC 20882950 ILZWRKYFIABHPG-TZIWHRDSSA-N 449.547 4.885 30 10 IJEE CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2Cc1ccccn1 23458602 ANCMAONHNKAUDK-UHFFFAOYSA-N 428.517 4.820 30 10 IJEE Cc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)cc1C 38623074 VBENYKZFIQWDNE-RTBURBONSA-N 430.504 4.610 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCC)c1 40085447 SNCPOMPGCXYPNE-HSZRJFAPSA-N 435.520 4.947 30 10 IJEE CCn1c2ccccc2c2cc([C@@H]3C(C(=O)OC)=C(N)OC4=C3C(=O)CC(C)(C)C4)ccc21 58949714 RNDWRKIFOIVGGD-QFIPXVFZSA-N 444.531 4.915 30 10 IJEE CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O 97447350 ZYWNHJSLAHQRFL-DAMKXSJNSA-N 443.544 4.867 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OCC)cc1OC 100208094 BAYXRGPSKYDMSZ-RCCKNPSSSA-N 449.503 4.536 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@H]1c1cccs1 169982401 VUYXIBGKLHTCMG-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)c1 169987860 PXWKRTSLWQHYCC-IBGZPJMESA-N 427.428 4.818 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccn1 169993999 LMJLFOZQEMOVFH-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)s1 170059002 AUVHKAOAQPPKAU-SFHVURJKSA-N 439.924 4.587 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc(C(F)(F)F)c3)=C(c3ccccc3)C2=O)cc1 170129186 FSDOXOUFCBODED-UHFFFAOYSA-N 433.389 4.974 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCO2 170155527 JEBIVGOLOIXVEE-OAQYLSRUSA-N 435.476 4.995 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1 170223524 XZRLANBVXGTKIX-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170250145 UTHGIPQFTQINIU-HXOBKFHXSA-N 431.463 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)c(OC)c1 170269840 YYZRHVNWAWNFGM-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2C)cc1 170272465 PQSVCDNEGBZTTF-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)cc1C 170274529 HAQFPJOIFZTBAB-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170307282 LHPJMGPAMALRJB-HSZRJFAPSA-N 446.503 4.894 30 10 IJEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170349000 ZJGUINRHBHEZIM-JOCHJYFZSA-N 428.444 4.721 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc(Cl)c1O 170366351 YXYUEPNUBLTKTR-FQEVSTJZSA-N 435.863 4.837 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C(=O)OC)c2)cc1 170392296 LVPNMUIXKCQWIF-NRFANRHFSA-N 447.512 4.880 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@H](C)Oc2ccc(Cl)cc2)nc2ccccc12 170536926 PGZNBMUJDCDGGR-HNNXBMFYSA-N 431.883 4.660 30 10 IJEE COc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)c1c(OC)cccc1OC)C2=O 210090181 AYDUIPWULRVRPR-LPYMAVHISA-N 432.428 4.548 30 10 IJEE C=CCn1c(C(=O)NCCCn2nc3ccccc3c2C)cc2oc(Br)cc21 223722059 TYJGHBZHKKDNFS-UHFFFAOYSA-N 441.329 4.661 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(N(C)C)cc1)N2 226673900 MTMNOVHODMEYGC-MVERNJQCSA-N 449.620 4.942 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCCC 407416741 OFPHYTWRUJLBMN-IAGOWNOFSA-N 445.348 4.555 30 10 IJEE C=C(C)C[C@H](C)C(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 466836130 DTENPNLJTNKAIS-JKSUJKDBSA-N 436.478 4.563 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC3(CCOCC3)c3ccccc32)n(C2CCCC2)c1C 483762720 QAXDZMVKMMZSPA-UHFFFAOYSA-N 432.568 4.599 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](c2cccs2)C1 508491381 SUOTZCXKJVEYKF-PXNSSMCTSA-N 440.569 4.642 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2ccccc2F)C1 508864387 OGZDFIYQICCIEV-LJQANCHMSA-N 443.320 4.611 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 515177580 JRGKYSIABWHNQB-NRFANRHFSA-N 428.552 4.523 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 533664978 NFOBISJVXNCEBV-UHFFFAOYSA-N 444.491 4.745 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 549262985 AEBXILXAOIFHIQ-HSZRJFAPSA-N 429.568 4.513 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H]3c3ccc(Br)cc3)C2)c(F)c1 573470872 RMEVMHHGOVCIKN-YLJYHZDGSA-N 442.332 4.650 30 10 IJEE CCN(CC)CCNC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586633473 NWEBDMPPOQCERY-UHFFFAOYSA-N 441.601 4.633 30 10 IJEE CCOc1ccc([C@@H](O)C[C@@H]2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 606657329 OAVODPVNABZKCN-HOTGVXAUSA-N 425.337 4.735 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 698840010 QEEKCSRCQUIQCE-IFXJQAMLSA-N 435.487 4.858 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C2 721767835 IJGMKEOVEQCIMN-DRSNIGMVSA-N 448.568 4.996 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C3CCC3)C2=O)cc1 730460449 ZRAFBUVLUXVVRJ-NRFANRHFSA-N 435.549 4.710 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C#C)c1 733201417 TXBHHQUPXYKWDT-OAQYLSRUSA-N 449.963 4.613 30 10 IJEE C[C@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1CCc2sccc2C1 740029411 FCAZMXKONDLFEW-MRXNPFEDSA-N 436.606 4.594 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 755259347 UYFPMJWIGFAELM-SNVBAGLBSA-N 445.349 4.887 30 10 IJEE CC(=O)N1CC[C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccccc21 757033526 DKKMQJORDTUMCS-NRFANRHFSA-N 430.533 4.584 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 784613710 CZUOIIOFXPZDRE-OEZJKNOUSA-N 435.511 4.510 30 10 IJEE C=CC[C@]1(C(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)CCCN1C(=O)OC(C)(C)C 784941894 GKSROCCPFLYYEB-NPMXOYFQSA-N 445.491 4.826 30 10 IJEE CC(C)(C)c1ccc(-c2ccc(C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)o2)cc1 787062438 SVMONVVKMDXCIR-FQEVSTJZSA-N 445.475 4.791 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 800774204 SPKUUYPRFHSUFH-UHFFFAOYSA-N 430.886 4.551 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2cccs2)n1)Nc1c(Cl)cccc1Cl 1084047876 GIZTZIRUCSHUEH-UHFFFAOYSA-N 441.369 4.740 30 10 IJEE Cc1cc(C=Nc2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084602732 DKCOZTXHTPDTTH-UHFFFAOYSA-N 440.839 4.593 30 10 IJEE C=CCN(C(=O)[C@@H](C)N1CCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124352086 BODFOQLMBOXLGC-MRXNPFEDSA-N 434.521 4.689 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1125552952 XTWWQWGXVXQVBH-AVRDEDQJSA-N 442.346 4.599 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)s1 1128933961 LMQZFCGETIPJGI-WFASDCNBSA-N 425.834 4.881 30 10 IJEE C#C[C@@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 1129731668 YBSBMZPEIORRBO-XJKSGUPXSA-N 428.355 4.610 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccccc1 1134861561 BAOMREGNHAZYTL-SSEXGKCCSA-N 443.956 4.937 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)C[C@@H](C)C2)C(=O)OC 1141995199 KWMYJABJXVIAIN-JHZUWGJZSA-N 438.527 4.652 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1198691959 OGVVCBZPWADXDO-GOSISDBHSA-N 448.350 4.985 30 10 IJEE CC(C)O[C@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1(C)C 1215091279 ALNVRGDFVUKTJT-YADHBBJMSA-N 425.504 4.990 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NC3CCC(c4ccc(F)cc4)CC3)CC2)c1 1226021517 AIYZBFJRZMOPQQ-UHFFFAOYSA-N 434.559 4.687 30 10 IJEE CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)N3CC[C@](F)(C#N)C3)cc2)CC1 1226496073 BGLATQUKBRIHDX-IWRZYZMASA-N 428.552 4.769 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 1251830790 LXRGYNSRDQETAL-JOCHJYFZSA-N 433.518 4.966 30 10 IJEE C#Cc1cncc(C(=O)Nc2sc3c(c2C(=O)c2cc(OC)cc(OC)c2)CCCC3)c1 1264078100 ZUJQMYDCCCZGAH-UHFFFAOYSA-N 446.528 4.504 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1264905627 FKYUSOJOGKIGOL-UHFFFAOYSA-N 446.295 4.956 30 10 IJEE N#Cc1cccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c1Br 1276487800 CTBVIDBVOIEARA-UHFFFAOYSA-N 446.389 4.905 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286498448 IFRIDMUIPDLKHG-RBBKRZOGSA-N 438.641 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C)s1 1286566626 SBWRNSYJPMTVAT-UTKZUKDTSA-N 443.642 4.621 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H]2CC=CCO2)CC1 1286639632 BMTPMZYHOWWGFW-INIZCTEOSA-N 449.780 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286674706 UOAOXLBPEMEWDV-DENIHFKCSA-N 426.605 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2Cc2cccs2)nnc1[C@]1(OCC)CCOC1 1286676446 KUWCXOLMRNYQKI-DVECYGJZSA-N 444.645 4.806 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1nc(C)cs1 1286719282 ZRIPXPWTNPGFCF-ZDUSSCGKSA-N 432.391 4.898 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1 1286740767 WHJOGPWGKNUBCU-VQTJNVASSA-N 446.542 4.809 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1CC(F)(F)C1 1286745431 TZFDVQHJDSHQNY-UHFFFAOYSA-N 427.474 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCSC1 1286755623 GPDOGSXMJPWGRZ-OAHLLOKOSA-N 449.418 4.648 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)S[C@H](C)C1 1286822480 DSMRGHQPHXXETA-ZACQAIPSSA-N 436.622 4.807 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1286829922 HCUKTSVUQGUBQO-HXUWFJFHSA-N 433.021 4.678 30 10 IJEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 1296917798 FAOYHMPELDYZKP-OGWRGKRKSA-N 437.588 4.559 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)C(C)C 1297150959 UMCBJNBKDHPWDY-HSZRJFAPSA-N 432.545 4.542 30 10 IJEE C#C[C@H](CCC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1297431208 AEVUUFDGZSTWBN-HXUWFJFHSA-N 426.582 4.625 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1300272241 AFJHNEGDADRUGB-DYESRHJHSA-N 441.501 4.934 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300348919 OGOLEMYMCVUJLQ-UHFFFAOYSA-N 449.643 4.787 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1300423442 PTGGCRSSZOSYHQ-HXUWFJFHSA-N 434.540 4.776 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(c2ccsc2)CC1 1300754616 UBTFPRCWGKJUTG-UHFFFAOYSA-N 426.586 4.896 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1300871128 XJZYJYSSQWSACD-YTXYEVPYSA-N 445.405 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1300889157 PCBDBPZJIALJSG-MNDCFMPDSA-N 447.048 4.834 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](COCC)C1 1301024951 RUKLHIZNLCLWMB-OAHLLOKOSA-N 439.785 4.631 30 10 IJEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CCCCC)C(C)C 1301032930 BRQDZAZJHDJWKF-UHFFFAOYSA-N 442.995 4.832 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN(C)C2CCCCC2)CC1 1301066044 MQVXCZDILOKBSE-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301139163 LQMPHTLRTVFMTJ-CRAIPNDOSA-N 448.409 4.643 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2cncn2)C1 1301173950 MGFDGDMJPONUMW-FCHUYYIVSA-N 449.603 4.824 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1301194199 GXBKAZNQAGYOON-PXNSSMCTSA-N 437.419 4.516 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301207749 GDLWYSBXSHQARD-LJQANCHMSA-N 439.604 4.919 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C)C1 1301246701 WKGWEFPUTXPQCX-QGZVFWFLSA-N 442.560 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)c1cccs1 1301373538 XXGWAKNYVZXLHT-RUZDIDTESA-N 445.592 4.949 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1c(C)sc(C)c1Br 1301412599 FIHXFJZRXCHNTI-UHFFFAOYSA-N 441.439 4.704 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(COCC(F)(F)F)c1 1301973250 DRSWVCFEEUIAHZ-MRXNPFEDSA-N 437.510 4.590 30 10 IJEE C#CCN(Cc1nc(Br)c(Br)n1CC)[C@@H]1CCc2ccccc21 1308634195 GCSRYUMBOVSQJT-OAHLLOKOSA-N 437.179 4.551 30 10 IJEE COc1ccc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccccc2CC#N)cc1OC 1309351143 BMJRJDUOAXHTHM-RXVVDRJESA-N 442.581 4.539 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2CCCc2ccccc2)cc1 1310129706 BZNPYNXGNYBNON-QFIPXVFZSA-N 441.597 4.512 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)c(I)c(F)c1)c1ccc(Cl)cc1 1310242478 SMTXBTMROUTTNO-AWEZNQCLSA-N 446.622 4.719 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1)c1ccc(Br)cc1 1311456240 MIAJYPCVGXGFIU-HNAYVOBHSA-N 445.357 4.981 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 1312518539 JAUJBZCXRCIEPA-IBGZPJMESA-N 447.457 4.530 30 10 IJEE CCO[C@H](CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC#N)CC1)C(C)C 1314069906 ANTKRSLAGFMNHJ-XMMPIXPASA-N 448.615 4.862 30 10 IJEE C=CCO[C@H]1CCN(Cc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)C1 1325221736 CHIRCMJNHOPVRC-INIZCTEOSA-N 426.369 4.911 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccnc(C(F)(F)F)c1 1358873061 CJXJPAHZGOIQCP-QGZVFWFLSA-N 439.485 4.668 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 1358935739 RMRPSHZSYFJMNG-UHFFFAOYSA-N 444.048 4.702 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1sc(C)nc1C 1358986432 WRPCZCQCJCKKMQ-FQEVSTJZSA-N 447.608 4.619 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@H](C)C1 1359017981 YWZVJJHTPFDBEM-PXNSSMCTSA-N 437.588 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@](C)(O)C1CC1 1359067106 ATEMBXJTUUZQJF-CLJLJLNGSA-N 436.600 4.523 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)c2ccccc2F)CC1 1359174189 XRJLGUPNLPZRQU-SFHVURJKSA-N 430.568 4.521 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@H](F)C2)CC1 1359182474 HUPQZBAPCNOBQZ-LWYYNNOASA-N 447.599 4.589 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359185090 KYWCGGJBSBKWMD-UXHICEINSA-N 438.572 4.959 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359189422 KRPLNQBNVKHAPM-LEWJYISDSA-N 445.007 4.509 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359199905 LPBXUJBERFYULT-OAQYLSRUSA-N 436.387 4.571 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1359204418 OAALPUHAWGCAOV-UHFFFAOYSA-N 434.922 4.527 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(OC)cc1 1359209353 KQWPFYWLPHMVHO-UHFFFAOYSA-N 430.350 4.647 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCN(CCC)C(=O)C1 1359210342 QQVGBWYJRMDPHH-GOSISDBHSA-N 441.645 4.546 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1359211878 RJCLKPDYGHZUFB-HZPDHXFCSA-N 431.378 4.775 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1359244600 JPXQSZLGFAFPCA-PGRDOPGGSA-N 449.020 4.574 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCSC1(C)C 1359261159 YKGBPTUCXJHKDB-MOPGFXCFSA-N 430.593 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCOc1cccc(F)c1 1359263247 VVCMRRQOXGIPIE-UHFFFAOYSA-N 435.528 4.812 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](C)C1)C(C)C 1359264316 BCMWAXSMBQKOSM-ZVDOUQERSA-N 443.039 4.784 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1359289182 IOVXTGIRAFVYKU-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1359804382 AFLPNYPPXGVXNN-UHFFFAOYSA-N 448.546 4.981 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1435822377 RTALPCFFKUDLEZ-UHFFFAOYSA-N 437.771 4.631 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)c1ccccc1 1456898768 XEPHVRWWMFVLPF-SFHVURJKSA-N 436.961 4.601 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2)ccc1Cl 1459616590 JDNANFKIBJQAMZ-QGZVFWFLSA-N 432.973 4.806 30 10 IJEE C=C[C@H](OC(=O)c1cnn(-c2ccccc2)c1I)c1ccccc1 1461552547 XRMGYTXLWDQTDP-KRWDZBQOSA-N 430.245 4.561 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C)c(OCc2csc(Br)c2)c1)C1CCOCC1 1461714013 QGYVKNONGUHTSY-SFHVURJKSA-N 448.382 4.556 30 10 IJEE CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Oc1ccccc1C#N 1462312396 DMLORXQRCNLFHW-QHCPKHFHSA-N 441.531 4.560 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCOC2(CCSCC2)C1 1466816609 JMQKYSAUFLCRBN-HNNXBMFYSA-N 441.391 4.580 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Br)cc(C(=O)OC)c1C 1466889889 DQLNBYNHSIYJLJ-UHFFFAOYSA-N 435.293 4.903 30 10 IJEE C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1467612847 GYPVEYBBFVYZPV-AUUYWEPGSA-N 436.408 4.817 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2c[nH]cc2-c2cc(Br)c3c(c2)OCCO3)C1 1469920623 MWZOABTZZAHUJG-CQSZACIVSA-N 431.330 4.644 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C1CCOCC1 1470864632 HGWRGMPMVSBSMJ-VWLOTQADSA-N 434.580 4.761 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2cc(C(F)(F)F)ccc2Br)c1 1474363181 DGAZWFHVSOCUCC-UHFFFAOYSA-N 425.248 4.520 30 10 IJEE Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1Br 1475243525 CFHZEIRKTFZCOA-KRWDZBQOSA-N 439.762 4.808 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O 1476728595 GMIGRNLAQYMKOZ-ZHRRBRCNSA-N 447.373 4.765 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)C2=O)cc1 1477824763 CGOHVSFYLMVHHW-YADHBBJMSA-N 436.943 4.548 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 1478273589 ZHBDJIKLLPOOBW-SFTDATJTSA-N 447.501 4.711 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CCN(CC)CC)c1ccccc1)c1ccc(Br)cc1 1478896543 OWEQVIHRPSGSCO-FCHUYYIVSA-N 442.401 4.896 30 10 IJEE CCC(CC)[C@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)OC 1496613920 FKWZVRHLFQOJKK-WIOPSUGQSA-N 441.595 4.979 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3cccc(C)c3)nnc2N2CCC(CC#N)CC2)o1 1500222926 FYWDFSUKCYWVKK-UHFFFAOYSA-N 448.571 4.593 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507543172 UZQOQRBOOBWNTP-KCZVDYSFSA-N 438.616 4.587 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507580841 LVKWPIVJSQOPJW-UHFFFAOYSA-N 446.395 4.688 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(CC)(CC)SC 1507645160 WFBSKYRTFHZJMF-UHFFFAOYSA-N 431.005 4.602 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCc1ccsc1 1507681848 DSGMGMGGVSBZMU-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1ccsc1 1507756443 NKVUAFUTPXDFTM-FQEVSTJZSA-N 438.622 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCSC1 1507763892 FUPTUZCYTBLBOW-KSFYIVLOSA-N 432.540 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](OCC)C1 1507803797 HBTYZUBCNWHTCV-LWSSLDFYSA-N 438.616 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1(C)CC1 1507821314 YRXCVCFNTHNFEG-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1507913114 XBNKVQMTJWUCOZ-QAPCUYQASA-N 433.394 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1507919879 QPPPQRVNKMEJPD-QHCPKHFHSA-N 438.616 4.897 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](OC)[C@@H](C)CC 1507972008 FCMDTFMSIJIZDE-GUYCJALGSA-N 425.346 4.530 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1scnc1C)c1ccc2c(c1)OCO2 1523443725 OINTWPFGNFCCGR-KHPPLWFESA-N 434.517 4.992 30 10 IJEE C=CCC1(C(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)CCOCC1 1525337047 GYIBWBPESWOFMC-UHFFFAOYSA-N 426.582 4.898 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c(C(=O)OCC)c1C 1525887299 FLOCHKXXOBMACN-STQMWFEESA-N 449.475 4.596 30 10 IJEE CC(=O)N1CC[C@H](OC(=O)c2cccc(OCc3ccccc3C#N)c2)c2ccccc21 1531636070 XRTBHDAVRLJESN-VWLOTQADSA-N 426.472 4.792 30 10 IJEE CCCOc1c(Br)cc(C(=O)Nc2cc(C#N)c(F)cc2F)cc1OC 1532499264 ABVPXIFNIIKVIB-UHFFFAOYSA-N 425.229 4.649 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)C(F)(F)F)cc1 1532557377 BXFZEZJAIHWMOP-JXFKEZNVSA-N 433.451 4.590 30 10 IJEE C=CCC1(C(=O)Nc2cc(OC)c(Br)cc2Br)CCOCC1 1537112350 KAUFLWGPTFZPML-UHFFFAOYSA-N 433.140 4.532 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)c(OC)c1 1537140666 CPWORZMRPHHETF-UHFFFAOYSA-N 437.927 4.769 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2[C@@H](C)[C@@H](C(=O)OCC)[C@@H](C)C[C@H]2C)s1 1537847662 DSOYKQCPEPZDJF-NYBLNRJDSA-N 445.050 4.663 30 10 IJEE C#CCN(C(=O)c1ccc(-c2ccccn2)nc1)[C@H]1CCOc2ccc(Br)cc21 1538199453 SZRCMFYCHCWAQO-NRFANRHFSA-N 448.320 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(COC)CCCCC1 1538982322 DJCVVFLNVIWQOB-KRWDZBQOSA-N 432.515 4.601 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](F)c1ccc(Br)cc1 1538984242 DURDSVKYTOZPPV-CXAGYDPISA-N 431.309 4.778 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1539133716 IOMZUSYPIQKBPL-HXUWFJFHSA-N 436.556 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539642745 RTJCSUFLVDKEJH-QPPBQGQZSA-N 438.616 4.662 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2sccc2C)CC1 1539860954 KNDAKVQINQZQTJ-HDICACEKSA-N 443.617 4.623 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSc2nccs2)CC1 1539882595 PZHQFIDEISSSSH-UHFFFAOYSA-N 436.610 4.858 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCSCc2ccc(C)cc2)CC1 1539892115 RQIFSHDZRQXVLN-UHFFFAOYSA-N 433.625 4.908 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCO[C@@H]1CCCC[C@@H]1C 1540120752 GMQFMIJWHOWIBJ-GBXCKJPGSA-N 444.583 4.933 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)CCCCC1 1544862944 PUMYLYFAVVWKTN-IBGZPJMESA-N 426.582 4.735 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)OC 1545282329 FSLUBXFBSINMFT-ZYSHUDEJSA-N 435.494 4.657 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1556559423 HDQGQTQGNDBDGO-NSHGMRRFSA-N 434.939 4.553 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2cc(Br)cs2)c1 1559484049 FXNMGHZUIOYAEH-INIZCTEOSA-N 434.403 4.895 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@@H](O)c2ccc(C)cc2)cc1OCC 1560515351 URQUECZKOOYUGU-IIBYNOLFSA-N 434.374 4.933 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccc2F)cc1 1583599965 DVHCEXINBRFQJV-NRFANRHFSA-N 426.488 4.650 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1587749471 IYLYFJWUEPRSEP-JTHBVZDNSA-N 430.600 4.566 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCCC1 1587909950 YNRINGJWWWJMOS-FQEVSTJZSA-N 444.023 4.634 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC(F)(F)C1 1588166784 PKBSQSCXFCQLIC-MRXNPFEDSA-N 434.943 4.732 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)CC[C@H]1C 1589421791 YJLNTYAHNWPSNJ-TZMCWYRMSA-N 425.321 4.681 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(F)(F)CC1 1589567920 GVZKVDXEOKPHDN-SIKLNZKXSA-N 446.542 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC1(c2ccccc2C)CCOCC1 1589657820 LUIFNNMTBOGWHP-QFIPXVFZSA-N 438.616 4.631 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2csc3ccccc23)CC1 1594009855 QRGOXCWOLDXRER-UHFFFAOYSA-N 437.613 4.810 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1594552493 NZJUUEHZUZKRLG-IBVKSMDESA-N 449.599 4.524 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1594728229 YKAZZORHRMADCS-UYAOXDASSA-N 447.624 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1C[C@H](C)O[C@@H](C)C1 1594914261 YZBHQKDZWFCXJJ-KBPBESRZSA-N 437.357 4.673 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCC[C@@H]1C 1595075449 FPRKWVLFTWUNAR-DFBJGRDBSA-N 426.605 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1ccsc1)N(C)C 1595204353 APRKAYVJPFMMQU-JOCHJYFZSA-N 432.597 4.969 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1csc(C)c1 1595297024 LRWBVLSLDWYBLZ-UHFFFAOYSA-N 435.553 4.657 30 10 IJEE C=C[C@@H](CC)CC(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1596467176 GTMWKGIZMRWZPG-CVEARBPZSA-N 436.478 4.563 30 10 IJEE C=CCOc1ccc(CC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)cc1 1597489291 AZFNFBSTFFGNFS-HXUWFJFHSA-N 436.552 4.524 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N3C[C@@H](O)C[C@H]3c3ccccc3)c2)cc1 1622896395 DOAYFMVMZQXDAZ-ZCYQVOJMSA-N 427.504 4.671 30 10 IJEE C=CCc1cc(CNC(=O)[C@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)cc(OC)c1OC 1625993598 KNLOXWHLFVMVIO-KBMIEXCESA-N 446.588 4.522 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1 1627430456 VZIFAUIWVFHHOO-PMERELPUSA-N 442.562 4.610 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCCC[C@H]3/C=C/c3ccccc3)ccc2c1=O 1630404369 ULDAYNPUTWJAAG-OSJHKOOESA-N 445.588 4.969 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)/C=C/c2ccc(SC)s2)nc1C 1632842818 ZGGMVYXFTIRDHT-FNORWQNLSA-N 435.625 4.620 30 10 IJEE C#CC1(O)CCN(C(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)CC1 1633560327 ZBWWFJHBSYQFLN-UHFFFAOYSA-N 446.359 4.508 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)CN(C(=O)OC(C)(C)C)C1 1633583345 TYVOHDKWAFNIJD-QHCPKHFHSA-N 446.551 4.582 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(Br)c(Br)[nH]1 1634167722 FULMTKHZTZMBIJ-UHFFFAOYSA-N 428.124 4.690 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 1639518863 IZYIXEZZOAPGAM-LJQANCHMSA-N 426.561 4.545 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCn1nc(-c2ccc(Cl)cc2)n(CCCC)c1=S 1643214133 MPCCCHKAMVKJOA-HKUYNNGSSA-N 449.020 4.632 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1cccc(OC)c1 1643757348 HRJCNIYEZFUBQG-LJQANCHMSA-N 440.956 4.691 30 10 IJEE C=CCOc1ccc(CN(CC(=O)NCCc2cccc3cccnc23)C(C)(C)C)cc1 1644905006 BNKKJNJNIGUQEJ-UHFFFAOYSA-N 431.580 4.759 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1 1645146185 KIPKKWAQTFVJMK-IBGZPJMESA-N 438.609 4.597 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H]3COc3ccc(F)cc3)c2)cc1 1645643440 HRROQDGOQLBXIW-QHCPKHFHSA-N 430.479 4.960 30 10 IJEE C=CCN(C(=O)CN1CCC[C@H](C#N)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1648265566 RZVGGIIBAAEKHM-CQSZACIVSA-N 435.380 4.871 30 10 IJEE C=CCn1c(SCC2(Br)CC2)nc2sc3c(c2c1=O)CCCCC3 1651548972 YJWSLJVGBBPAAX-UHFFFAOYSA-N 425.417 4.933 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 1652554502 FBOHIHYYYSXDGE-UWJYYQICSA-N 438.503 4.799 30 10 IJEE CC(C)Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)cc1 1653606763 HLLNEVOYQXIROF-UHFFFAOYSA-N 444.984 4.694 30 10 IJEE C[C@@H](Sc1nnc(O)n1CCc1ccccc1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 1656035974 QXKZGFNFKJFPJV-VULIGXMUSA-N 448.592 4.588 30 10 IJEE C#CCCCCCCn1c(-c2cc(Br)cc(Br)c2)noc1=O 1656825486 DYXCHSPKPNACKP-UHFFFAOYSA-N 428.124 4.612 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1 1660441271 ZFOHVFKGZYBHPD-DEOSSOPVSA-N 447.560 4.649 30 10 IJEE C#CCOc1ccc(CNc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1 1662044730 WOYAQGNYXUHFJH-UHFFFAOYSA-N 425.576 4.675 30 10 IJEE CC(=O)c1ccc(N2CCN(C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)c(F)c1 1662084258 BSHBEESLVMMSIM-UHFFFAOYSA-N 428.533 4.613 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)C1 1662185616 QQDOAVLONZKIPJ-IBGZPJMESA-N 427.570 4.924 30 10 IJEE N#Cc1cccc(CS(=O)(=O)NC2(c3ccccc3Br)CCCCC2)c1 1663935692 DHVWRRVWGHBICW-UHFFFAOYSA-N 433.371 4.600 30 10 IJEE C=CCOc1cccc(NC(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c1 1666342751 MJXFWWUQJNHMEP-LJQANCHMSA-N 442.865 4.905 30 10 IJEE C#CCN(C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)[C@@H]1CCCc2ccccc21 1668653988 VNVXFPGLJDDODS-JOCHJYFZSA-N 427.589 4.744 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)[C@H](C)N1Cc1ccccc1 1669823314 DPOYSALKUMXOPR-YESZJQIVSA-N 441.373 4.836 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](c1cccs1)C(C)(C)CO 1672214164 FGPOURRGJFYPLP-QGZVFWFLSA-N 439.375 4.957 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@@H]2Cc2ccccc2F)cc(OC)c1OC 1677966647 JBGIVZSYXOBHTG-OAQYLSRUSA-N 426.532 4.878 30 10 IJEE C=CC[C@H](CO)NC(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1678890104 NWKQVTTUEKCMKZ-XLIONFOSSA-N 447.373 4.715 30 10 IJEE C=CCCCCCCNC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 1682403443 MWJMJWPCMCPGDC-HSZRJFAPSA-N 440.588 4.717 30 10 IJEE CC1(c2ccc(Br)cc2)CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 1682687073 DVECNJQVUCIPPO-UHFFFAOYSA-N 426.358 4.627 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Br)c(C)c1)c1ccc(Br)cc1 1683200102 MLYSUJCQCMTPMR-QGZVFWFLSA-N 436.147 4.694 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CCN(CCC)CC1 1689835122 GOGJKGXBYICKNT-RTBURBONSA-N 439.673 4.711 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1689900378 FYDSAGONPGEILS-AOYPEHQESA-N 447.671 4.958 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](c1ccco1)N1CCCC1 1689945995 LZFTUKGBXLKDKH-FCHUYYIVSA-N 447.583 4.534 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1C(C)C 1690161874 TZODMCCYPKKECY-GOSISDBHSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCCCCCC1 1690252787 IWIRDCXXRZOKMN-GBXCKJPGSA-N 440.588 4.617 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690276072 HYMCMDUHWSVSMN-GOSISDBHSA-N 442.489 4.768 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690467502 ZLCPRHODCGDWLF-UHFFFAOYSA-N 434.588 4.669 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCSC1 1690555828 FSKKYVOQWNBQMI-LEWJYISDSA-N 442.629 4.517 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1cccs1 1690643680 NYUMZXBMEDMNKO-INIZCTEOSA-N 431.606 4.838 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](SC)C1 1690683049 AHIZDSJDFWKTCJ-NHCUHLMSSA-N 442.629 4.507 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CC)C1 1690683173 CVSXKPYOHNZMSQ-IBGZPJMESA-N 437.613 4.873 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2C)CCS1 1694500063 BWDWDCDIVJBZIN-GHTZIAJQSA-N 439.629 4.601 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H]2CCCCO2)CC1 1698493926 CIOMBEYSLZJKKR-FQEVSTJZSA-N 443.979 4.600 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1705593673 HEADDBZZMJSZGF-FUDKSRODSA-N 446.595 4.642 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)[C@@H](C)CC 1705669318 IZOIACODWWVBCS-IMDCKVJKSA-N 431.584 4.591 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC(F)F 1705696070 LIXMFDFBRIVPFP-AUUYWEPGSA-N 440.922 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccsc1 1705704194 ZKSZBPINLWXHGO-SIKLNZKXSA-N 426.561 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1705793389 WFTHUAZQIIKRKE-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1705797913 GMNXTPSWNMTHFG-DNQXCXABSA-N 448.615 4.505 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@H]1C 1705817196 FBWUBENGVKXKDZ-VAMGGRTRSA-N 431.625 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCC(F)(F)C1 1705840372 LMSMAISHFJVHSH-GOSISDBHSA-N 426.515 4.969 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN1CCCCC1 1705873720 TWMXCGAFAKUYML-UHFFFAOYSA-N 442.611 4.861 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C 1705877549 ACECYRMGMAKBLT-NVQXNPDNSA-N 438.616 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1705885397 QCPVHTGUWBBFIQ-UHFFFAOYSA-N 435.597 4.716 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1705940108 VPBKOHWIRBDBFV-KRWDZBQOSA-N 441.645 4.939 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1712452113 APXMJSVHXQWGEC-IYARVYRRSA-N 439.947 4.985 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCOCC2)C1)C(C)(C)C 1712742659 AEGDWDLKPQVIHZ-HXUWFJFHSA-N 439.629 4.601 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1sc(C)nc1C 1712792745 COVQSQSVMZOWII-AWEZNQCLSA-N 426.615 4.516 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1csc(-c2ccco2)n1 1722290567 MOEQEFNTIACONG-OAHLLOKOSA-N 437.956 4.745 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722327674 MZSNQZJBKACOGJ-XLIONFOSSA-N 435.597 4.652 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H](CN3CCCC[C@H]3C)C2)nnc1C(C)(C)C 1722488501 HIPOTDRUZYYQMC-QZTJIDSGSA-N 438.458 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC(C)C 1722497756 AYMOAVCPAOXYDY-AREMUKBSSA-N 438.616 4.962 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC(F)(F)CO1 1722504215 GBQPIFYTMZAXMF-INIZCTEOSA-N 441.320 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ncc(CC)s1 1722505748 SEOCCTRSVFJSFO-AVRDEDQJSA-N 429.634 4.647 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1722559410 VSWWXRVXKCOTKZ-NHCUHLMSSA-N 437.588 4.509 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)C1 1722584852 YOUNOENCWRXFJJ-JOCHJYFZSA-N 437.632 4.727 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccc(F)cc2)CC1 1722632851 KGHZFEWYMPRQGM-UHFFFAOYSA-N 430.325 4.529 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1ccc(OC(C)(C)C)nc1 1722654172 JKCMCFYMZYPZLM-UHFFFAOYSA-N 435.572 4.662 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C)C1)C(C)C 1722667582 WBKQADYBJOGMNP-PXDATVDWSA-N 446.643 4.982 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@H](C)N1CCC(C)CC1 1722676923 PBERFVWMLHYWIX-NRFANRHFSA-N 425.621 4.884 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)CC(C)(C)C1 1726670136 COTHKNYTRYPLJP-BXKMTCNYSA-N 435.597 4.658 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1740596984 HRFVHCZWUVYGCL-QFIPXVFZSA-N 431.005 4.644 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc2ccccc2s1 1740646036 XOPGTEKQDMPVHG-FYYLOGMGSA-N 446.620 4.727 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCSC 1740646935 LYXDJYNDGPOMHJ-UHFFFAOYSA-N 431.609 4.569 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCc1cccc(C)n1 1740665285 WSALYRCISWFSKS-UHFFFAOYSA-N 444.402 4.565 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCOC1CCCCCC1 1740677111 FQQMKTJBQASGDS-UHFFFAOYSA-N 435.547 4.792 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(C)C)C1 1740816541 HSMWZRBHBZVBBV-MSOLQXFVSA-N 438.016 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(OC)c(C)c1 1740850762 POVXWFKHJIUJNJ-UHFFFAOYSA-N 436.604 4.695 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1740912802 SJPASZICELRSEJ-UGKGYDQZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC1(N(C)C)CCC1 1740923152 ZXFAAFZQSVCHST-UHFFFAOYSA-N 443.020 4.732 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC=CCC2)C1 1740971979 BBEPMPMCIHSQHQ-VAMGGRTRSA-N 426.536 4.695 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCC[C@H]1C 1748640916 YNRNXQBNYDDEFE-VXXKDZQQSA-N 430.980 4.571 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCc1sccc1C 1748687427 JVBZLVJJRCMVIO-QGZVFWFLSA-N 426.611 4.650 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1748702646 OPWOWMIHAPHCDO-QGZVFWFLSA-N 445.405 4.823 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1Cc1nc(C(C)(C)C)cs1 1748779867 DCCXXCYXSXRUQZ-UHFFFAOYSA-N 444.402 4.579 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(C)c1 1748873152 MXUCXXQPTRGZAY-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1occc1C 1748935944 HCPNFXZBMRWPHV-UHFFFAOYSA-N 426.948 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1C[C@H](c2ccccc2F)C1 1749141459 DDWORSOVVOTMDM-IYARVYRRSA-N 434.519 4.586 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)COC)CC1 1749331310 XJLOJUMNOBREBN-CQSZACIVSA-N 437.357 4.532 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(C)C)CC1 1749393166 MQEGJRRJDIGSTJ-UHFFFAOYSA-N 432.012 4.741 30 10 IJEE C=CCCCCn1c(N2CCc3c(F)cc(F)cc3[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1749409105 RKGJIYPMJPEZEK-MZNJEOGPSA-N 446.542 4.688 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749591015 LRBRMUXDZAXGOU-CJFMBICVSA-N 425.621 4.884 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C(C)(C)O)cc1 1760103622 JDMOMVSUMPTRJN-ZWKOTPCHSA-N 448.636 4.865 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(N2CCCCC2)c1 1760167238 HHKNEEWTLGCKJH-UHFFFAOYSA-N 442.611 4.746 30 10 IJEE C#CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)C[C@H](C)C#N 1760276419 DNQVYJWSOPTIBT-MRXNPFEDSA-N 439.585 4.775 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(OC)C1 1760351725 KRDUACCEEOAAIK-SQJMNOBHSA-N 442.604 4.633 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCC[C@H]2CC)CC1 1760392120 DYNKQHHTEXZHQH-OAQYLSRUSA-N 444.023 4.931 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCSC(F)(F)F)CC1 1760405483 ULLPSOQSAMZUCH-UHFFFAOYSA-N 426.508 4.821 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCS[C@@H](C(C)C)C1)c1ccccc1 1760417875 JTYBMCSVOHZSJQ-IFMALSPDSA-N 434.613 4.673 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760427332 XFSIOZYKEHLSCF-IBGZPJMESA-N 445.007 4.653 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C 1760468328 PQMHIDBFZRYZHP-LJQANCHMSA-N 434.053 4.966 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1760494272 LNDHAKNRBLERLW-SFHVURJKSA-N 441.539 4.681 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)Cc1ncc(CC)s1 1760532524 XEDKTPSXRSIZGB-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2ccccc2Cl)N(C)C)C1 1760534750 FWIZPXKVZXMMPF-OPYAIIAOSA-N 432.012 4.529 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C#N)CC1)c1ccco1 1764926164 FPLHBXCAOVCKLG-NRFANRHFSA-N 436.535 4.500 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1)C(C)(C)C 1770439225 BJZHEDRAKLZTKR-TYCQWZJGSA-N 439.629 4.598 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1C[C@@H]1CCC(F)(F)C1 1771099853 CPHWDQYNGPGCCP-HXUWFJFHSA-N 443.542 4.896 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1ccccc1C(=O)O 1772761713 MTEDRJBZRCLLIQ-SKCGTWTRSA-N 431.311 4.771 30 10 IJEE CCc1ccc(CCC(=O)N2CCOc3ccc(NC(=O)c4cccc(C#N)c4)cc32)cc1 1858460436 CXJXSHITSPLBAF-UHFFFAOYSA-N 439.515 4.731 30 10 IJEE Cc1ccc(-n2nc(C(=O)Nc3sc4c(c3C#N)CCCC4)c(=O)cc2C)cc1Cl 1859648604 JZTBOESCDYLXJY-UHFFFAOYSA-N 438.940 4.567 30 10 IJEE CCCCOc1ccc(N[C@@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)cc1 1860592007 MKCKMWNFPUGWLY-VWLOTQADSA-N 438.568 4.553 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)N2CCC(Cc3ccccc3)CC2)cc1OCC 1860637057 FDHMWAKXHRKVAM-ZRDIBKRKSA-N 435.564 4.938 30 10 IJEE CCOc1ccccc1NC(=O)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 1860728210 BVTSISGGRZZQTA-FYWRMAATSA-N 431.488 4.894 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861188671 LKJCVDUEFDNITF-GJZUVCINSA-N 447.639 4.799 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2c(F)cccc2Cl)cc1 1862395944 BMZGLBSJBWCXKT-NRFANRHFSA-N 445.918 4.782 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862474635 QQDJNEPUHCWPHY-XMMPIXPASA-N 445.490 4.964 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862492164 KZMGZOUADLEZAS-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862537484 WRYWLTDXYPYUJA-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1cccc(O)c1 1862589594 OHIXGBNYYHVPEW-NRFANRHFSA-N 435.863 4.530 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2)=C(c2cc(C)ccc2C)C1=O 1863403335 GVAAGNUSOFCZIP-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE CCCCc1ccc2[nH]c(C(=O)Nc3c(C#N)c(-c4ccccc4F)nn3C)cc(=O)c2c1 1866516929 WILOOWTWTYZUFS-UHFFFAOYSA-N 443.482 4.534 30 10 IJEE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866780565 FWCOEIQGJDATQF-PKTZIBPZSA-N 429.495 4.753 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@H](C)c1ccc(Cl)cc1 1868682658 KYASFUAPBGROLL-MBSDFSHPSA-N 442.962 4.901 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1Cl 1870136766 IRVAFHZNPYODJZ-UHFFFAOYSA-N 430.295 4.550 30 10 IJEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870386887 IMBDKJNYSTVEME-JQYIIUTOSA-N 449.639 4.728 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(Br)c(C)c2)cc1=O 1870812312 BNKQPVCAIKAXKH-UHFFFAOYSA-N 449.389 4.911 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(Br)cc2)cc1=O 1870813990 OUGIKXCKHJEORT-UHFFFAOYSA-N 441.325 4.542 30 10 IJEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1870997704 VPYGDXYANPNQDM-UHFFFAOYSA-N 432.561 4.855 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)c(OC)c1 1871348182 WNFKWSMCOUYLOU-ROTLSHHCSA-N 443.499 4.981 30 10 IJEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871373690 DVOITDHNBCYHJR-JAIQZWGSSA-N 446.371 4.647 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC(C)=O)cc3)ccc2C1=O 1871381671 BEPJMEYPYAPWLM-OYKKKHCWSA-N 444.439 4.846 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1OC 1871384559 YBEJSONKGMOVRN-IWIPYMOSSA-N 446.455 4.695 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)OCCOc3ccccc3)ccc2C1=O 1871461379 JLIPLGFBYQQRND-STZFKDTASA-N 436.485 4.674 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872498664 BMSITABRRFFIKP-NRFANRHFSA-N 434.989 4.941 30 10 IJEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccccc3)n2)cc1C(C)C 1872779172 CYXYQQAPALFPNX-HXUWFJFHSA-N 447.560 4.857 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(OCc3ccccc3)cc2)c2cnn(C)c2n1 1873490548 GWSKIODJQYQXKV-UHFFFAOYSA-N 426.524 4.864 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873793533 OUGOXQSIQAMKNA-BRJLIKDPSA-N 439.302 4.677 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1 1874232260 HYYXBBCKRSKRMU-CVKSISIWSA-N 448.523 4.503 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(O)c(OCC)c2)cc1 1874256583 JGAJSGWLADLOGY-OEAKJJBVSA-N 426.542 4.518 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874263252 OOROBWDRSNHJSQ-SSDVNMTOSA-N 443.916 4.969 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccccn1 1874287296 XOOFAYGXKBAEOF-CVKSISIWSA-N 445.548 4.744 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874355333 VMQMUHQAVHQFJO-FSJBWODESA-N 444.944 4.523 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874400022 GFXUDPIOMFTZQE-HJQVIKLGSA-N 449.363 4.884 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 1874412572 QCODXDPHKILMOS-OEAKJJBVSA-N 434.546 4.803 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(F)cc1F 1874436491 DFPVRLUWXZNSRY-DHRITJCHSA-N 443.523 4.758 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccccc1OC 1874476294 JQORWAAXXLILTP-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE Cc1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874486231 ICKHWUUFCKNGRQ-WSDLNYQXSA-N 425.514 4.573 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2Cc2ccccc2)c1OCc1cccc(C)c1 1874558891 GIEUXXBGUULBGX-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE CCCCC1CCC(c2nnc(S)n2/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)CC1 1874563489 FMOFTQLIMPBFML-CIAFOILYSA-N 433.534 4.535 30 10 IJEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(OC)cc1 1874563514 GKPMYBJIFRXDIB-HZHRSRAPSA-N 426.542 4.606 30 10 IJEE CCCOC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1OC 1874592320 JMXZWRQPEPNZGQ-RMKNXTFCSA-N 448.899 4.594 30 10 IJEE Cc1c(S(=O)(=O)N2CC=C(c3cncc(C#N)c3)CC2)sc2ccc(Cl)cc12 1891596553 NVTFWKZTIVVDJW-UHFFFAOYSA-N 429.954 4.608 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 1921506279 BUUSRSWBXLEKPH-JTHBVZDNSA-N 448.460 4.637 30 10 IJEE N#Cc1cc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1F 1951419201 POUFPLYTJMNZMB-DEOSSOPVSA-N 444.462 4.622 30 10 IJEE N#Cc1cc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1F 1951419209 POUFPLYTJMNZMB-XMMPIXPASA-N 444.462 4.622 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCC1 1984694543 LEVKNQQOHCAAEB-XMMPIXPASA-N 445.563 4.892 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N 2010515723 GTWAFOXLYPRSDO-LJQANCHMSA-N 443.931 4.650 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNc2cccc(Cl)c2C#N)C1 2025245923 FZJVHWHWGORICK-LJQANCHMSA-N 440.975 4.745 30 10 IJEE CC(C)(C#N)OCCNc1c(Br)cc(Br)cc1Br 2048765169 YVWFYOWECVCZBS-UHFFFAOYSA-N 440.961 4.705 30 10 IJEE CC(C)(C#N)OCCNc1cc(Br)c(Br)c(Br)c1 2048773458 NPDOOELSYGEOMA-UHFFFAOYSA-N 440.961 4.705 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078854386 FXOULYPOFYSSFW-MCEYFSPLSA-N 446.632 4.524 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)c(C)c1 2079083316 YEHDQQMTFFDIET-CQSZACIVSA-N 445.226 4.994 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)c(F)cc2C)C1 2126628066 TWHDXMXGYYSUKU-UHFFFAOYSA-N 427.314 4.696 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c2nsnc12 2137370917 CRIDPRFSNCQNPH-UONOGXRCSA-N 441.395 4.574 30 10 IJEE CC1(C)OB(c2ccc(CN[C@@H]3CCN(Cc4ccccc4)CC34CCC4)cc2)OC1(C)C 2154935979 GBZSNOVAVGDRTH-RUZDIDTESA-N 446.444 4.520 30 10 IJEE CCN(CC1CCN(c2cc(Br)cc(F)c2C#N)CC1)C(=O)OC(C)(C)C 2174809109 WDOKQRVFEUEVTF-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CN(c2ccc(C#N)c(Br)c2)C2CC2)C1 2174813285 UILGNDNNNXNESP-OAHLLOKOSA-N 434.378 4.937 30 10 IJEE CC(C)[C@]1(C(=O)Nc2cc(Br)ccc2C#N)CCN(C(=O)OC(C)(C)C)C1 2181133252 QENGIRTXBSJLDD-FQEVSTJZSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181147225 QUEALFIMBDTEFL-VBKZILBWSA-N 436.350 4.733 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1[C@@H](CC)CCN1C(=O)OC(C)(C)C 2235730748 OZOICLFRDKKHLO-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@@H](O)C#Cc2ccccc2Br)CC1 2235742760 ZBXFVSNHKYMCPZ-UEUGHCDMSA-N 436.390 4.883 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2235746484 JPZIVIQRZMBLEH-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 2235750470 VYZYJIVTMVHVRN-JUXOCIIHSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](COc2cc(Br)cnc2C#N)C[C@@H]2CCCC[C@H]21 2240694305 YQWIOTCARLWTAP-JLJPHGGASA-N 436.350 4.663 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)Cc2ccco2)s1 2255859411 ZIKPDMBQDSKRDD-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE CN[C@H](CC=CC#CC(C)(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2256730787 IZTOAVUIHFDIIV-KCWPFWIISA-N 439.644 4.740 30 10 IJEE C=CCCC1(C(=O)Nc2cccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266281147 JHYIENGNPCWESV-UHFFFAOYSA-N 427.314 4.730 30 10 IJEE C=CCCC1(C(=O)N(C)Cc2sccc2Br)CN(C(=O)OC(C)(C)C)C1 2266281838 QUEWSUYSKWQLHC-UHFFFAOYSA-N 443.407 4.672 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CC[C@H](OCc3ccccc3)C2)c1 2281933835 DTZGIRYMYCWNRL-DEOSSOPVSA-N 449.400 4.541 30 10 IJEE COc1cccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1 2296103224 WSOXTTRKSXBLPB-IBGZPJMESA-N 438.480 4.534 30 10 IJEE CC[C@@](NC(=O)OC(C)(C)C)([C@@H](C#Cc1cccc(Br)c1)NC)C(F)(F)F 2296219518 PEFPKJVVHNKFHI-CRAIPNDOSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CC[C@@]1(C)NC(=O)OC(C)(C)C 2296283003 BHQBCTVKGGINJZ-STZQEDGTSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=C3C(=O)ON=C3c3ccc(Cl)cc3)cc2)cc1 2296409896 GRFZRVYCVHWBOB-UHFFFAOYSA-N 433.847 4.912 30 10 IJEE C[C@@H](NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2312862318 WXEOCDADFQFIJO-OLMNPRSZSA-N 430.354 4.693 30 10 IJEE COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(Br)cc2)C1=O 2313533950 YNQFMYCYUBQWLV-UHFFFAOYSA-N 426.310 4.943 30 10 IJEE COC(=O)c1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 2314557381 ASNXADBVMFCMQW-UHFFFAOYSA-N 449.444 4.533 30 10 IJEE C#CCCCOC(=O)Nc1c(Br)cc(Br)cc1Br 2316398875 FFCBOPYOILPTQM-UHFFFAOYSA-N 439.929 4.936 30 10 IJEE N#Cc1ccnc(CSc2cc(I)ccc2Br)c1 2316461090 CIAHPAJPNVNYOV-UHFFFAOYSA-N 431.096 4.613 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(S)nnc1CCCOc1ccccc1C 2322170846 MBLAHJLEFDXQEO-UHFFFAOYSA-N 432.549 4.931 30 10 IJEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(Br)cc1 2322427190 HSQJGWYKYBSWPT-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc5c(c4)OCO5)c3C)C2=O)cc1 2322775190 GPSJGVQATIEMJS-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)c(C)c1 2323421370 BLEOIFBHAZCWCH-UHFFFAOYSA-N 428.941 4.848 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327849706 PSQVIFACUORRRY-GOSISDBHSA-N 443.617 4.566 30 10 IJEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(OC)c(OC)cc1OC 2329091268 RDCCZEJGFNUQKU-UHFFFAOYSA-N 446.960 4.542 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2329115661 UFNBLNIPWNZUTH-UHFFFAOYSA-N 428.945 4.700 30 10 IJEE Cn1cccc1C=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1 2329347938 IVBVXPFNBAOELV-UHFFFAOYSA-N 431.565 4.550 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2[C@@H](C)c2ccccc2)cc1 2330133870 WSNWPKKWUINZPN-IBGZPJMESA-N 436.581 4.912 30 10 IJEE CCOc1ccc(CCNC(=S)NN=Cc2cccc(Cl)c2Cl)cc1OCC 2330447639 AQXACRTUDAUYMB-UHFFFAOYSA-N 440.396 4.832 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1C 2330856630 CUWKIBVLFFMYHU-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(Br)ccc1F 2330952130 JJJVSRQYFNEXQB-HNNXBMFYSA-N 425.327 4.582 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170201 FQEGJWQMMGDJJK-UHFFFAOYSA-N 432.388 4.547 30 10 IJEE C=C(C)CSc1nnc(COC)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2331575028 PYWNJRDELQBQMN-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CCOC)c(Cl)c2)c1 2331675065 WTWDOYHBLRLNEU-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CC2)c1 2331731012 INICOVJGSCYQKN-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CC#CCN(C[C@@H](NCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2337917659 DGWPOLHZCYVWPX-MRXNPFEDSA-N 431.321 4.638 30 10 IJEE CCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(I)c(Br)c1 2339576435 IDSBPUADTOXLCB-SWLSCSKDSA-N 432.143 4.754 30 10 IJEE Cc1cc(Br)c(Cl)cc1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2372001449 WWHHEBGIQPUKHY-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc(OC)c1OC 20882690 TYHXOIADXLIZDD-AZUAARDMSA-N 449.547 4.840 30 10 IJEE CC[C@](C#N)(CCCN(C)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 38613419 DJESQVUROIXZIM-AREMUKBSSA-N 440.584 4.847 30 10 IJEE Cc1cc2oc(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccco4)c3O)c(C)c2cc1Cl 38619453 LBZXIQKBHMUPLJ-UHFFFAOYSA-N 436.851 4.623 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2cccc(F)c2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59310654 PNHMVYJPUHAFIM-LGJNPRDNSA-N 442.564 4.679 30 10 IJEE C=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)c1 66108084 IHDXDMSXALWSBX-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE CCc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)cc1 105337519 YBIZVKPPARVYOH-DEDYPNTBSA-N 442.537 4.936 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)ccc1OCc1ccccc1 169896808 UBCLYZMOIGJHTK-PKAZHMFMSA-N 440.503 4.861 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922190 DQSIXFZPPQUMBT-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(C(C)=O)=C1C 169930044 QMCDSKZRYQJAPT-OAQYLSRUSA-N 426.513 4.549 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC(C)C)c1 169980056 OYBBEAUYLGHHAF-HSZRJFAPSA-N 449.503 4.835 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccs2)c1 169989255 ZLVARQVFLOQBEP-HSZRJFAPSA-N 433.529 4.854 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 170092541 IJPRUCUXZWMJOV-SFHVURJKSA-N 442.786 4.763 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(C)o2)c1 170102670 FNRHZQMCOGYYJQ-DEOSSOPVSA-N 431.488 4.694 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2)cc1 170113665 JDHDTRRIVKBYME-UPCLLVRISA-N 441.483 4.802 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170130438 UWKXSDOCUQPMAU-QFIPXVFZSA-N 447.512 4.557 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)c1 170144710 DIUPSODXXMYONG-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)c(OC)c1 170154229 NVIJGHPDTIFNLI-LJQANCHMSA-N 441.530 4.605 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@@H]1c1cccs1 170165446 RTUVAETXQMVLMW-INIZCTEOSA-N 436.327 4.508 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3ccncc3)ccc2O1 170204228 NDFTUCQBHLWURK-JLCFBVMHSA-N 446.890 4.841 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(O)c(Cl)c1 170220002 XEFSQKKLUMKWSJ-FQEVSTJZSA-N 429.900 4.821 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(Cl)cc2)cc1C 170234992 NLXRDKVGCFXDFX-OAQYLSRUSA-N 443.927 4.662 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C[C@H]1CCCO1 170273522 AGTFITGCFPIXIG-ZJSXRUAMSA-N 431.532 4.631 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccco2)c1 170284540 GIFDHXGJDNLOGG-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccco2)cc1Cl 170288444 UGCRCFPFSAOGOO-OAQYLSRUSA-N 435.863 4.959 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccco2)cc1Cl 170289001 WXADXCYIALOOON-HXUWFJFHSA-N 439.851 4.739 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C)o1 170304281 YRFDBCGETUXLNF-CMJOXMDJSA-N 445.471 4.703 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(O)cc1)c1cccs1 170412971 QAXZRLGCVBXQFI-QFIPXVFZSA-N 444.512 4.756 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)c1 170432512 WIJBFZVHDCMYPO-JOCHJYFZSA-N 433.508 4.704 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C(C)=O)cc1 252625054 QBVGDNSOWMNGKH-CUCKYGFWSA-N 439.562 4.892 30 10 IJEE CCC(CC)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(OC)c1 254480816 LMHXWKAWPFYCDH-FQEVSTJZSA-N 425.554 4.844 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2CC)cc1 254877124 DDKCAVWGGHZGGF-MZBVFIGBSA-N 439.562 4.857 30 10 IJEE N#C[C@@H](C(=O)c1sccc1I)c1cccc(Br)c1 386391676 VJWJPLUFPGSFNC-SNVBAGLBSA-N 432.080 4.605 30 10 IJEE C=C(COCC)[C@@H](NCCC)c1cc(I)ccc1Br 387476011 URMSCXBPZBAMIT-OAHLLOKOSA-N 438.147 4.687 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1OC)NCCC 406699908 JUISLPYIRUWWHA-QZTJIDSGSA-N 441.410 4.838 30 10 IJEE Cn1cc(-c2noc(-c3ccc(OCc4ccccc4C#N)cc3)n2)c(C(F)(F)F)n1 426250753 IXTWGCALSPZRMZ-UHFFFAOYSA-N 425.370 4.607 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 508800472 GIYSGSXYLPNVGT-WZONZLPQSA-N 431.515 4.573 30 10 IJEE C=CCN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512075537 XWSNMXGQQFGKDG-LJQANCHMSA-N 441.896 4.894 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 519188155 FBGSSGGCGLFRFB-IIBYNOLFSA-N 437.371 4.602 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccccc2C(=O)O)cc1 526488586 PROADXDFKMFCFJ-NRFANRHFSA-N 430.847 4.967 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2)cc1OC 526806303 CNWPSRQMJHMDBF-FMCGGJTJSA-N 446.960 4.830 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 527061646 VTRPEDNDTZLGSS-UHFFFAOYSA-N 441.247 4.621 30 10 IJEE N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)c1ccncn1 544814858 MIYBFMOBUCUQOA-GOSISDBHSA-N 429.277 4.944 30 10 IJEE COC(=O)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1Br 548082090 NSVVBSDIDCYTDV-UHFFFAOYSA-N 444.329 4.797 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cccs2)CC1 549964764 VAEXRAASEYGMBA-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 553898613 AKRBOOZJDZVCJG-QFIPXVFZSA-N 439.943 4.562 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1c(-c2scnc2C)nc2ccccc21 561238125 MUWRUISZEFMQOD-UHFFFAOYSA-N 448.596 4.851 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 562846239 WTWHZKNDDAUOMB-UHFFFAOYSA-N 431.508 4.560 30 10 IJEE CCOc1ccc(/C=C/C(=O)N[C@@H]2CCNC[C@H]2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 585837020 PPNUKXUHGADWAI-UWPCYJAJSA-N 446.591 4.599 30 10 IJEE N#Cc1cccc(CN(c2cccc(OC(F)(F)F)c2)S(=O)(=O)c2cccs2)c1 586222390 YOKQPDZOPBJTPB-UHFFFAOYSA-N 438.452 4.914 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccccc1C 586258409 GBUBGJVUAMGPFT-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE CC(C)c1ccc(OCc2nnc(SCc3cc(Cl)ccc3OCC#N)n2N)cc1 735230129 CUNIZBBXCBHABX-UHFFFAOYSA-N 443.960 4.542 30 10 IJEE C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)C(=O)N(CCC#N)c1ccccc1 741373986 XOUSIPKHZNUROQ-ZYSHUDEJSA-N 446.425 4.567 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@H](Cc3ccncc3)C2)c1=S 782293113 XHULWUYIOGNQFZ-GOSISDBHSA-N 425.989 4.838 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 790283046 RTCBMAXFGLMVLU-LJQANCHMSA-N 445.491 4.597 30 10 IJEE C=CC[C@@]1(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CCCN1C(=O)OC(C)(C)C 791800727 INTYGBQDDNBIDG-QRQCRPRQSA-N 429.517 4.957 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2cccs2)n1)Nc1cc(Cl)ccc1Cl 1083943306 MJYWRNKYJMNTJN-UHFFFAOYSA-N 441.369 4.740 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CC1 1133097717 PAJARKNBWXIVLX-UMSPYCQHSA-N 431.245 4.515 30 10 IJEE COC(=O)C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1134885576 HVQLGEOMNMVBBK-HNNXBMFYSA-N 437.311 4.898 30 10 IJEE C=CCCCNC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 1139926744 XTZRJQZDUSQNKX-UHFFFAOYSA-N 447.560 4.878 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1C#N 1141267442 AFPCDOGOGAFKHQ-HSZRJFAPSA-N 427.504 4.845 30 10 IJEE CC(C)(CC#N)CNC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1141961354 DFVHLKRYFXOXSY-UHFFFAOYSA-N 445.563 4.704 30 10 IJEE C#CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)[C@H]1CCCc2ccccc21 1156937444 DUBGZUIDJYRWIX-IBGZPJMESA-N 439.437 4.750 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)NN1Cc2ccccc2C1=O 1206777202 GKRKITJAEGDQQW-UHFFFAOYSA-N 435.299 4.669 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@]1(C)Cc1cc(F)c(F)c(F)c1)C(C)C 1211221289 CJDKJPHNAUVHBT-QPPBQGQZSA-N 437.550 4.909 30 10 IJEE CC(C)(CO)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccnc1 1215484416 IBEYPZFYVJIXJG-JOCHJYFZSA-N 434.471 4.766 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1265993993 GCVYJTOXQNKSBN-GKVSMKOHSA-N 444.547 4.585 30 10 IJEE C=CC[C@@H](C(=O)NCc1ccc(Cl)cc1I)c1ccccc1 1270686241 OZHAZGRHKADASV-MRXNPFEDSA-N 425.697 4.921 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1286436747 UVXYAVVMYMPVOR-SFHVURJKSA-N 445.558 4.517 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286437557 JETYIMVJHYDJTE-YESZJQIVSA-N 443.389 4.612 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)ccc1OC(F)F 1286453053 UJFMSYYSCDHAGB-UYAOXDASSA-N 446.542 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1286522927 QHDBVXGSYLWZGP-LSCGWGKXSA-N 433.644 4.769 30 10 IJEE C=C(C)Cn1c(N(CC)CCc2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286598621 UZZYBQLLYGTECC-OYRHEFFESA-N 439.604 4.694 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)NCCCC)CC1)c1ccccc1 1286618398 ARGUVLCRRUTQSS-UHFFFAOYSA-N 449.643 4.857 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccc(F)c2)CC1 1286638792 MPCNDOQMTWQLOT-VWLOTQADSA-N 442.579 4.592 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)C2CCCCC2)CC1 1286640649 MOQMHKZUIAFBKE-UHFFFAOYSA-N 445.558 4.967 30 10 IJEE C=CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC[C@H](OC)C(F)(F)F)C1CC1 1286734235 RNPNLPRICYNWHD-IBGZPJMESA-N 433.478 4.559 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1OC 1286740190 DXELSMYQBZDNRW-URXFXBBRSA-N 447.583 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccccc1OCC 1286748666 YXTKVVAQERYYHN-UHFFFAOYSA-N 433.581 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(Cl)s1 1286756133 QHJIKCRTQBETRN-UHFFFAOYSA-N 428.945 4.658 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@H](C)S[C@H](C)C2)cc1 1286796067 GUFOJUTZMDABHZ-KDURUIRLSA-N 426.630 4.954 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H](C)c3ccc(C(F)(F)F)cc3)n[nH]2)c1C 1290757742 LPCICXOCRRRWTR-AWEZNQCLSA-N 431.462 4.928 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1291941105 CINJOBFTGRZECS-DHLKQENFSA-N 434.588 4.788 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nc(C2CC2)cs1 1300473582 XTVUGYWMEVUCIS-UHFFFAOYSA-N 435.597 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCSC(C)C 1300558871 FKPUOWJGSWEMKJ-UHFFFAOYSA-N 445.636 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1Cc1occc1C 1300790313 NIDWBKLVAJSOBJ-OAQYLSRUSA-N 443.320 4.789 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C 1300895708 BBUWGCGXLRCELY-PBHICJAKSA-N 437.382 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1300916221 VAEXFCWITLGUKO-QZTJIDSGSA-N 426.458 4.806 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN(C)CCC)C1 1301017158 HBCRDCOUFCZRAC-RTWAWAEBSA-N 446.039 4.956 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1CCOC1 1301138899 GMTKDXRICBQFQT-OAHLLOKOSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1cccc(C)c1 1301362564 FZBOPZKQJXZMMD-VQTJNVASSA-N 438.597 4.812 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)CC(C)(C)C1 1301531658 SLPYHGSJBNNMQA-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC(Cc4ccc(C)c(C)c4)CC3)ccc2c1=O 1306855858 YGTWXZFMACFMKU-UHFFFAOYSA-N 447.604 4.583 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC[C@H]3C[C@@H](C)O)c2C#N)C1 1307735688 HKUCIAOSHJQRJV-KURKYZTESA-N 431.646 4.725 30 10 IJEE COc1ccc(C(=O)Nc2cccc(CNC3CCN(c4ccccc4C#N)CC3)c2)cc1 1308483101 GISKWDZXQKURMZ-UHFFFAOYSA-N 440.547 4.578 30 10 IJEE CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N1CCCC1 1313625713 DKKPLBZEIRINSO-JOCHJYFZSA-N 432.572 4.729 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1315686373 AQDMZFNFTAZXMJ-DHIUTWEWSA-N 433.600 4.847 30 10 IJEE C=C(C)COCCNC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1356039404 DWBNHIXKBNNVCD-QGZVFWFLSA-N 431.360 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1csc(C)n1 1358874863 FAFOOUDWXLTKAC-QGZVFWFLSA-N 444.608 4.818 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(CC)s1 1359005175 XWVZDCHMVBGOMJ-UHFFFAOYSA-N 438.597 4.873 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCOC1 1359116810 ZJPFCUOYPRCPRR-MRXNPFEDSA-N 439.387 4.993 30 10 IJEE 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C#CCN(CC(=O)N(C)Cc1ccc2c(c1)c1ccccc1n2CC)C(=O)OC(C)(C)C 1541114157 CNLGBNDSNINPSZ-UHFFFAOYSA-N 433.552 4.643 30 10 IJEE C#CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CC1 1557169301 QKDKGVKBEVECMB-UHFFFAOYSA-N 438.593 4.579 30 10 IJEE COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)Cc1ccccc1C(C)(C)C#N 1559853525 CWXGEWFKHFAQIR-FQEVSTJZSA-N 445.357 4.605 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2COc2ccc(F)cc2)n(-c2ccccc2)c1C 1560178665 BJVBJRGBPBQCQY-QFIPXVFZSA-N 446.526 4.587 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 1564913858 WTNMELDWBFUHIG-VJBWXMMDSA-N 440.534 4.762 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1Nc1ccccc1F 1566803928 BYWICTPFXBXFIT-IBGZPJMESA-N 429.467 4.954 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1 1568490126 FIFOTZUJBIKRJU-QGZVFWFLSA-N 439.890 4.975 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc(Cl)cc1F 1583578411 FTABZCGBUKHYJB-GGAORHGYSA-N 448.881 4.526 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 1587063989 MLAPXBZBGNFZTK-LJQANCHMSA-N 434.561 4.651 30 10 IJEE C=CCC1(CNC(=O)c2cc(I)ccc2Br)CCCC1 1587304938 UNEDAAGVLLOQHR-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(COC)CC1 1587719213 VUMVVSRFTIDJPB-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C=CCCC(C)(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1587776946 XBMACRRWJGALOU-KRWDZBQOSA-N 435.406 4.718 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C#N)CC1 1587807725 IMXXTCIPWDSWOZ-GOSISDBHSA-N 425.964 4.842 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1587820905 XOSLFBVFJPFPEF-CJAUYULYSA-N 438.572 4.615 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1588193534 HBHUXPYPJKPQFJ-URXFXBBRSA-N 444.579 4.996 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1589036282 BLKRBAVTTBXHGE-RUZDIDTESA-N 449.624 4.501 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(C)C)C1 1593844504 BSWBECUXHFCVQE-OAHLLOKOSA-N 439.785 4.951 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCCC2(C)C)CC1 1594436978 GAQOYJDNBLXZKR-AREMUKBSSA-N 438.616 4.763 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(=O)OC)CC1 1594461489 SKFXSUIDKHTPSJ-UHFFFAOYSA-N 448.514 4.538 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnccn1 1594582189 NFVNJECTRDHSCX-UHFFFAOYSA-N 433.379 4.552 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1CC1CN(C(=O)OC(C)(C)C)C1 1595108551 CGDNZRIKWMGWBU-IBGZPJMESA-N 439.604 4.851 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)(C)COC)C1 1595688970 QVIVBUWBTDBBJE-IBGZPJMESA-N 444.645 4.729 30 10 IJEE CC(C)(C)OC(=O)[C@@H]1CC(C(=O)Nc2cc3ccccc3cc2C#N)=NN1c1ccccc1 1597220514 FLGCRMLEOTVQSQ-QHCPKHFHSA-N 440.503 4.627 30 10 IJEE C#CCN(Cc1cc2c(cc1Cl)OCCO2)[C@H]1CCOc2ccc(Br)cc21 1615535589 JAHUXFHFVKCYCL-SFHVURJKSA-N 448.744 4.833 30 10 IJEE C[C@@H](c1cccc(Br)c1)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1620056344 BWYXYTDIWICMAY-INIZCTEOSA-N 436.357 4.594 30 10 IJEE CCCc1c(NC2CCN(C(=O)c3ccccc3C)CC2)cnn1-c1cccc(C#N)c1 1621264201 AQAZVZXFJGCVPC-UHFFFAOYSA-N 427.552 4.722 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1622125568 WZHRFYKAKSNZEW-UHFFFAOYSA-N 435.899 4.903 30 10 IJEE C#CC[C@H](NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccccc1 1623311185 JITFLZIHQBHLOE-UNMCSNQZSA-N 435.568 4.982 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1c(Br)cnn1C1CC1 1623461647 CLJFPJXMPSWAQL-UHFFFAOYSA-N 430.224 4.816 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 1625538322 GXXXZAGSHXEWIP-AWEZNQCLSA-N 449.345 4.784 30 10 IJEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CC1 1625699501 GMUNWHNODHYWJX-UHFFFAOYSA-N 447.000 4.637 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCN[C@@H](c3ccccc3Cl)C2)c1 1625965995 FFDJUIXIOQPLEJ-XMMPIXPASA-N 431.923 4.577 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](c1ccc(CC)cc1)c1cccnc1 1627379098 KIDPNFKNQXNAQS-RPWUZVMVSA-N 449.595 4.889 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CC=CC1 1629495965 JBSUPDYPJNWGNN-RUZDIDTESA-N 430.548 4.942 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 1631026198 JKMQJXYVDKPNJD-AZUAARDMSA-N 432.561 4.823 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H](OCC)C12CCC2 1631922953 ARGFXETUSAYTGQ-MSOLQXFVSA-N 425.342 4.634 30 10 IJEE C=CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C)c1ccncc1 1633820075 ANDGPTXVMSJUGM-LJQANCHMSA-N 425.330 4.694 30 10 IJEE C=CCC[C@H](C(=O)N1CCC(Cc2nc(-c3cccc(C)n3)no2)CC1)c1ccccc1 1634487793 UKNBZJKRQDMPCP-QFIPXVFZSA-N 430.552 4.971 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)CC1 1635679543 FHTKXWVGKFAFOS-NRFANRHFSA-N 428.363 4.725 30 10 IJEE Cc1cc(NCCC(=O)Nc2ccc(Br)cc2)n2c(nc3ccccc32)c1C#N 1639322476 BIUAYHPKCQULRI-UHFFFAOYSA-N 448.324 4.871 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2CCc3ccccc32)C(C)C)nnc1-c1cccc(OC)c1 1643757944 ZEFFZZONWARZEW-QFIPXVFZSA-N 448.592 4.846 30 10 IJEE CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 1644085227 DPRXHWBXEHRSGU-DEOSSOPVSA-N 445.542 4.512 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 1652741581 OLYOWEKVWUXWLI-CTAFRAEOSA-N 442.629 4.773 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc2ncccc2c1 1653969359 UZZJYCAOOAFQMA-UHFFFAOYSA-N 435.318 4.513 30 10 IJEE C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1c(Br)cccc1C#N 1655305657 GOBOSEXYRJBPKI-OAHLLOKOSA-N 427.346 4.750 30 10 IJEE CN(Cc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)CC1(C#N)CC1 1656700990 FMDYQFATLGZDTH-UHFFFAOYSA-N 443.327 4.990 30 10 IJEE CCSc1ccc(CN2CCN(c3ccc(C#N)cc3F)CC2)c(Br)c1 1657154165 HHUFQFVPZBLUKO-UHFFFAOYSA-N 434.378 4.894 30 10 IJEE COC(=O)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)CC1CC1 1658539455 CFKDWFAPCBPPHH-MRXNPFEDSA-N 427.888 4.715 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1658622850 MDVHQKGFJKXYIZ-XMMPIXPASA-N 429.561 4.896 30 10 IJEE CCc1ccc([C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)C)cc1 1660469452 ARCRQTLTHLWQQN-IBGZPJMESA-N 439.350 4.698 30 10 IJEE N#CCc1ccccc1S(=O)(=O)NCC1(c2cccc(Br)c2)CCCCC1 1661922677 BWYRYYDNHAZJJQ-UHFFFAOYSA-N 447.398 4.696 30 10 IJEE CCCN(Cc1ccccc1Br)S(=O)(=O)c1ccc(C#N)c(Cl)c1 1666769579 BNLPUBVDMCGKLC-UHFFFAOYSA-N 427.751 4.575 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1668171762 FXVQATWGBGWKQE-QGZVFWFLSA-N 428.432 4.908 30 10 IJEE N#Cc1cccc(C2(NC(=O)N[C@@H](c3ccc(OC(F)F)cc3)C(F)(F)F)CC2)c1 1669041504 HYISKJVWTHGOAN-INIZCTEOSA-N 425.357 4.752 30 10 IJEE CC(=O)c1cccc(NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1672420985 PMQMYKDGNOSLRI-VXGBXAGGSA-N 430.295 4.524 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 1675014205 IMMXQORCZFOECS-RUZDIDTESA-N 449.570 4.992 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(OC(F)(F)F)ccc1Br 1675159741 BRVNMHNZPIFKRT-UHFFFAOYSA-N 443.219 4.681 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1682683771 NMSMQABXRZHSMC-RHSMWYFYSA-N 430.902 4.720 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 1683106918 PGEMYHDTTYTHNX-RBUKOAKNSA-N 445.485 4.556 30 10 IJEE C#CC[C@@H](NC(=O)NCCSCCOc1cccc(Br)c1)c1ccccc1 1684574277 OXPMPESOCZNSMQ-HXUWFJFHSA-N 447.398 4.625 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1685392250 MUNUGAWGACJBBG-SFHVURJKSA-N 444.432 4.857 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1689920916 NVLUYQHAAOHWHA-UHFFFAOYSA-N 434.540 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCC(C)CC1 1690213028 ZLKIXCIZNMUYLY-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccccc1C 1690227535 BINGUAHKYOZHPF-HKUYNNGSSA-N 431.378 4.731 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N(C)Cc1nc(O)c2sccc2n1)c1ccccc1 1690445362 WJKGVYFWTDOILB-KRWDZBQOSA-N 434.569 4.547 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690475098 FMECFSIDCVDUDK-UHFFFAOYSA-N 436.629 4.561 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCCCCC1)C(C)C 1690581705 WZSXGESOOXTHIT-PKTZIBPZSA-N 429.653 4.989 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1690594723 DTEIUGNBYHROPV-LOSJGSFVSA-N 449.643 4.653 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CN2CCCCCC2)CC1 1690629116 DUQQILGUMRCNCC-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCCN2CCCC2)CC1 1690633048 FJSINSBEWNYJLW-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1690655013 DLAWJQUNRXTXSV-XQBPLPMBSA-N 440.588 4.741 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(CCOC)CCC2)C1 1690688061 NJLJPNITXQRDNE-FQEVSTJZSA-N 430.980 4.587 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C2CC2)cs1 1692654918 AOICQUGCEZFVHT-GFCCVEGCSA-N 430.940 4.858 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)s1 1705619878 DVCFUOFRNPAJLZ-QGZVFWFLSA-N 444.963 4.714 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1CC 1705654245 APPVFFYAJRMINK-KRWDZBQOSA-N 433.419 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@](=O)CC 1705669695 TVJWCBTWIYRTHR-ONOMSOESSA-N 447.029 4.574 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1705727364 YWALRQZLQLCDKP-UHFFFAOYSA-N 425.621 4.608 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1705747310 KGBDNLQRSHYPRL-UHFFFAOYSA-N 448.398 4.797 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1705782561 ZKSKWJSINHGQCK-UHFFFAOYSA-N 429.609 4.738 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2nccs2)CC1 1705782703 FSJDCGBSBDFBNC-UHFFFAOYSA-N 429.540 4.639 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cccn2)CC1 1705787959 LEAKGMUCBMZPPQ-UHFFFAOYSA-N 429.572 4.532 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@H](C)C1)c1ccccc1 1705796452 FLAWPYQYHOJLKE-NQIIRXRSSA-N 437.975 4.969 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705822514 HREXCECKIUHRRV-WMZOPIPTSA-N 449.393 4.590 30 10 IJEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1705889250 CLURDIPUADCOTB-KRWDZBQOSA-N 433.585 4.842 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCC=CO2)c1C 1706976988 HEMDIYMUKTWCJS-UNMCSNQZSA-N 435.572 4.858 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc2ccccc2s1 1722401959 LSUHKWUALZEYPX-FYYLOGMGSA-N 446.620 4.923 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1Cc1cccnc1OCC 1722469288 YCEJSUCEBDCGCZ-ATIYNZHBSA-N 429.568 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(C)cc1 1722507333 HZEXSPVETQUXLV-OFNKIYASSA-N 426.605 4.672 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCCOC(F)(F)F 1722657214 VAYHXPVIVHDXTO-UHFFFAOYSA-N 435.494 4.857 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCC2CC2)C1 1722691429 VIPNKUGTBVWCKQ-QGZVFWFLSA-N 437.371 4.745 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1722703479 TWHBISRNXZPTIT-UHFFFAOYSA-N 425.577 4.665 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC)(CC)C1 1722738258 DROXZEKMRRRABQ-FQEVSTJZSA-N 428.602 4.726 30 10 IJEE CCCC1(Cn2c(N3CCN(c4ccc(C#N)cc4F)CC3)nnc2C(C)(C)C)CCC1 1727973053 FMMUIMLRGYQOIW-UHFFFAOYSA-N 438.595 4.883 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)C1 1729269316 GAUSBQVCKUQCSZ-JOCHJYFZSA-N 439.629 4.745 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1740713715 PFNLUHPHIFTOLW-SFHVURJKSA-N 441.988 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCCC(C)C)CC1 1740753844 AFGWGKKVFZLGBY-OFNKIYASSA-N 442.604 4.859 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1740835664 NIVKTXMJBKMINN-REWPJTCUSA-N 425.533 4.603 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(OCCC)c2)CC1 1740839157 BZLGOVKVNVGZRF-UHFFFAOYSA-N 431.584 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740845057 CLDQGHVSLBPNNG-JOCHJYFZSA-N 429.572 4.766 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2CCN(CC)CC2)C1 1740973680 BRJOGOKVVGOHBT-JOCHJYFZSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740999883 QQHOFMIJZNXVOO-SFHVURJKSA-N 443.020 4.864 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCO[C@@H]1CCCC[C@H]1C 1743053044 GKZDATFILGJXDL-XQBPLPMBSA-N 448.571 4.934 30 10 IJEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1748713259 QKPICNZTDNOMGK-UHFFFAOYSA-N 434.569 4.652 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn(CC2CCC2)c1 1749040481 YIPATVJVRKVASE-UHFFFAOYSA-N 441.004 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCc1ccncc1 1749079995 DRZFEMOCRHFGAV-HSZRJFAPSA-N 438.000 4.854 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN(CC)CC)C1 1749251636 HNWLNLADHTYEDE-LEWJYISDSA-N 446.039 4.956 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2sccc2C)CC1 1749287869 DMIUGJZXIVNEDH-UHFFFAOYSA-N 432.391 4.805 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749391101 LBEYURMEOLNXNB-NVQXNPDNSA-N 438.616 4.951 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCC1(O)CCC1 1749545027 QWJZGJHKLPHSQW-UHFFFAOYSA-N 426.561 4.567 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1F 1749589753 FUWSOEABSLYPKK-UHFFFAOYSA-N 437.544 4.649 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(C)C)CC1 1760341600 LPDRQHOZWLULTP-IBGZPJMESA-N 432.012 4.795 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760433807 MOUBLUBFCWOITC-HUUCEWRRSA-N 437.407 4.883 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCCCC[C@H]21 1760451750 RXRZRUXUURJMPA-PGRDOPGGSA-N 430.543 4.899 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCc2cc(OC)ccc21 1760468639 BBYHAKXBWAFCHS-UEVCKROQSA-N 438.616 4.948 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(CCCC)nc1C)C1CC1 1760471776 IIRACGNMMLSPMY-UHFFFAOYSA-N 425.968 4.502 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cc(C)on1 1760489326 PYLCQTXJNMDURW-UHFFFAOYSA-N 432.553 4.900 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCCC1 1761076438 ALTBBJBGSGJHMK-UHFFFAOYSA-N 433.604 4.678 30 10 IJEE CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)COC)s1 1764595192 DQGKRBZPJYVXHE-DOTOQJQBSA-N 438.601 4.624 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(CC)CC)C1 1768378007 CIASWOBPARQXTA-QFIPXVFZSA-N 440.661 4.661 30 10 IJEE Cc1nnc(NN=Cc2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)nc1O 1772737082 OPLNNWCZQBGRTR-UHFFFAOYSA-N 447.502 4.851 30 10 IJEE Cc1ccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)cc2/C=N\NC(N)=S)cc1 1857806491 AIZFNRPIMJFQEG-YSMPRRRNSA-N 427.533 4.807 30 10 IJEE C=CCN(C(=O)c1cc(OCC)c(OCC)c(OCC)c1)C1CCC(C(=O)OCC)CC1 1860021740 CTLVODQJIKEKCR-UHFFFAOYSA-N 447.572 4.633 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862442729 UOPOUSSODCODNS-OAQYLSRUSA-N 435.911 4.514 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862596967 XLPYIKGJOXKGCT-XMMPIXPASA-N 442.515 4.545 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862601057 VHLKCVAVMLQVDQ-XMMPIXPASA-N 448.563 4.933 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCO2 1862626074 TUSMTHNOSWFPAA-JOCHJYFZSA-N 437.467 4.856 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862663439 ROGZKAUCTWYZDJ-DEOSSOPVSA-N 443.499 5.000 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862666737 LFMPCCPOTUJDCK-QFIPXVFZSA-N 435.520 4.975 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862669278 RXKVTQKLAZZKAZ-SBUREZEXSA-N 437.536 4.558 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCCO)cc1 1862721483 GDOGTVQDAPTKGR-XMMPIXPASA-N 427.500 4.623 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccccc2F)C1=O 1862934384 QQEOLWZZNHLRFD-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3F)C2=O)c1 1863173935 XPLYAZCGVSDYIY-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2c[nH]c3ccccc23)C1=O 1863817235 UFRQHXSXIXQJMD-UHFFFAOYSA-N 433.511 4.813 30 10 IJEE COc1cccc(C(=O)/C=C/C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 1866233271 WUBGLZLWNOQXEQ-MDZDMXLPSA-N 443.322 4.959 30 10 IJEE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866780668 GEYWRGJWNPRTGV-DNQXCXABSA-N 429.495 4.753 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccccc2Cl)n(C(C)(C)C)n1 1870000351 NPSSDVOCWQAVAP-UHFFFAOYSA-N 431.968 4.663 30 10 IJEE Cc1ccccc1OCCCC(=O)Nc1c(C#N)nnn1Cc1ccc(Cl)cc1Cl 1870105834 KAKUDYFXUXRCLC-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870406909 DGCBLBLIJJNTMG-UHFFFAOYSA-N 449.982 4.589 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCC[C@H](C)C1 1870527816 JJWWMXLUIDWTDA-VXKWHMMOSA-N 447.664 4.734 30 10 IJEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870836771 UVIYVSOFZTYGSO-NRFANRHFSA-N 441.616 4.791 30 10 IJEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCC[C@H](CO)C1 1871398845 RXMCZMBLPIDYNW-ZFOCZIKRSA-N 434.319 4.520 30 10 IJEE Cc1c(OCCOc2ccccc2F)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871417685 WQKUMMMYJOPDOL-QRVIBDJDSA-N 434.419 4.937 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872007007 PMENMYLVEIEICI-MRXNPFEDSA-N 434.989 4.841 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2ccc(F)cc2)cc1OC 1874200315 VRVHPOBTWNKCTM-BUVRLJJBSA-N 428.533 4.604 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccco1 1874420950 MVBXXTLCEXWPTD-LPYMAVHISA-N 437.550 4.775 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)ccc1O 1874456054 YIKSGJASRRPLEI-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1ccccc1F 1874472522 JMRXKLAIKUCBFZ-BUVRLJJBSA-N 428.533 4.569 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccccc1Cl 1874491473 TWGZDXJNYFREJN-OEAKJJBVSA-N 436.025 4.753 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875112866 LUBFRJOBUZGRSK-KPKJPENVSA-N 427.453 4.850 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)CC)c([N+](=O)[O-])c2)cc1 1875138055 GEMAWYWWFNMSNO-KPKJPENVSA-N 427.453 4.994 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@]2(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880022480 DMNOEYXICUHSQU-XMMPIXPASA-N 427.545 4.717 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1 1891262709 ZUDWRWXZGUGPEB-UHFFFAOYSA-N 427.220 4.672 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C#N)(CC)CC1 1901484763 CDJMWQAWFNXYSF-DEOSSOPVSA-N 445.563 4.846 30 10 IJEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(c2cc(Br)c(C#N)cc2F)C1 1965620083 ABNOUHFCXYSWCD-GXTWGEPZSA-N 426.330 4.589 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H](C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 1991583898 BHNHKTCMBAGDPQ-OALUTQOASA-N 425.614 4.615 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2008463821 FWYIJXSNMAMCIO-VWKPWSFCSA-N 434.541 4.606 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]1C1CC1 2014635222 SNAZAUGVHGSMTB-HRAATJIYSA-N 434.541 4.606 30 10 IJEE CCOc1c(Br)cc(C=CC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 2040481072 HLXIBRWEGMSNKZ-UHFFFAOYSA-N 444.325 4.879 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(N)=O)c1Br 2079959394 URSLQQDYUKDHHS-YFKPBYRVSA-N 448.136 4.531 30 10 IJEE N#Cc1cnc2c(-c3ccccc3I)c(C3CCCCC3)nn2c1O 2081557237 QQOBYSISYLUURT-UHFFFAOYSA-N 444.276 4.626 30 10 IJEE C=CCN(CC[C@H](Cc1ccc(Br)c(F)c1F)NC)C(=O)OC(C)(C)C 2099294337 DPHQGGHWLWHTME-CQSZACIVSA-N 433.337 4.671 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c(F)c1 2124521722 KLXNYQZACFXAKA-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C[C@@H]1CCCN(c2cc(Br)c(C#N)cc2F)[C@@H]1CCNC(=O)OC(C)(C)C 2174765955 RXFKWIFKKNDRKK-CXAGYDPISA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCC1)C(=O)Nc1ccc(Br)cc1C#N 2181107615 KCVKCBLCCPTGEU-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE C#CC[C@@H](CNC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C1CC1 2196810160 SNGATWFGNWSVQK-HNNXBMFYSA-N 435.362 4.884 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2ccccc2Br)cs1 2227464786 VOQSUEKOLGTWNR-GFCCVEGCSA-N 435.343 4.726 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@H](C)C[C@H](C)CN1C(=O)OC(C)(C)C 2235728401 HGBZIZQEGZNQDX-FIYPYCPBSA-N 435.406 4.670 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2235734784 XTGGTZCUVSRALQ-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@H](N)C#Cc1ccccc1Br 2235747513 QNZPNGXWHVQLHQ-MOPGFXCFSA-N 433.390 4.698 30 10 IJEE C=CCN(CC[C@H](NCC)c1cc(OC)c(Br)s1)C(=O)OC(C)(C)C 2263741040 MABGNCWLFWNGOZ-ZDUSSCGKSA-N 433.412 4.983 30 10 IJEE CC(C)(C)OC(=O)NCCCc1cccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 2267567106 ADAKNWHDIXOGAR-MOPGFXCFSA-N 444.381 4.565 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](N)C#Cc1ccc(Br)cc1 2278817803 KAFSPHGOIIZKSU-DLBZAZTESA-N 441.435 4.553 30 10 IJEE CC1(C)OB(c2cc(NC3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)ccc2N)OC1(C)C 2282999905 OWNHXTQZHZMOMU-NOTZXAQLSA-N 447.432 4.566 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 2296001978 UTDNJHHTRUEHIJ-QFIPXVFZSA-N 448.906 4.756 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296216643 MLIRRNWRUMCSOE-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@H](N)C#Cc1cccc(Br)c1 2296275268 YOKXNENVPGEVCC-IEBWSBKVSA-N 447.398 4.724 30 10 IJEE O=C1C=CC(=NS(=O)(=O)c2ccc(Cl)cc2)C=C1Sc1nc2ccccc2s1 2296463522 HNPQBCAUMBTRND-UHFFFAOYSA-N 446.962 4.895 30 10 IJEE CC(=O)Oc1c(Br)cc(C=NCCc2ccccc2)cc1Br 2297321945 HFSVZKKFDKYGSD-UHFFFAOYSA-N 425.120 4.799 30 10 IJEE C=CC[C@@H](Oc1cc(NC(=O)OC(C)(C)C)ccc1N)[C@@H]1CCN1C(=O)OC(C)(C)C 2299393492 NKTZPEZYGYRSSX-ZWKOTPCHSA-N 433.549 4.949 30 10 IJEE C[C@@H](NC(=O)COc1ccccc1C=CC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 2322307840 YWBYSUIDHSOEHV-GOSISDBHSA-N 430.460 4.747 30 10 IJEE CCCN(CCC)C(=O)COc1c(OC)cc(C=CC(=O)c2ccccc2)cc1OC 2323808004 NZHYYCOJUYWHAJ-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2324035332 JELYIOFZPZECGG-UHFFFAOYSA-N 429.472 4.680 30 10 IJEE O=C(C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 2324090715 AEZCOLWWRKFGAY-UHFFFAOYSA-N 448.387 4.707 30 10 IJEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2325727274 YEPQNYJSGWEBNN-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2325910900 ASDLPRFUEPHPHQ-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326442525 RSOJZHCYLYRWFL-UHFFFAOYSA-N 425.514 4.549 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(O)c(OCC)c1 2328568828 XKVMOUJJFBYRIG-UHFFFAOYSA-N 440.569 4.756 30 10 IJEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330202563 FMOYIIMPCHDYJM-UHFFFAOYSA-N 427.917 4.785 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccnc2)c1 2330645293 CHYIMCPCWMBQLE-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2C)c1 2330887205 OXGVYOOOUQSKDH-NRFANRHFSA-N 449.580 4.668 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)ccc1O 2331049643 YSMHHHJQXFYCRV-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 2331069111 WKPBUMNJSJCTMI-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)cc1 2331180232 KSIIBJXHIDKBIC-UHFFFAOYSA-N 449.511 4.853 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2O)c1 2331362153 CNGUVMZRSQGWNJ-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)c1 2331389113 SVWFAGGLRXGSJI-UHFFFAOYSA-N 445.493 4.557 30 10 IJEE C=CCSc1nnc(CC(C)C)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331461862 PPFMVJJNWPNQRC-UHFFFAOYSA-N 439.379 4.504 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2331667962 XHUFNBLRNGHVKQ-UHFFFAOYSA-N 446.935 4.969 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC(C)(C)[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579000 OYXKQZOIEHZHID-MJGOQNOKSA-N 444.381 4.797 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339586344 DIHOKSFYONDYFI-XZQKKESVSA-N 443.397 4.974 30 10 IJEE CC1(C)C[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CCN1Cc1ccccc1 2364748775 SFXYAJAZHRWEJK-HSZRJFAPSA-N 445.416 4.713 30 10 IJEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@]2(C#N)CCCC3(CC2)OCCO3)s1 2368034606 GJUDRYCHNCBTDI-OAQYLSRUSA-N 436.574 4.601 30 10 IJEE C=CCn1c(SCC(=O)NC2CCCCC2)nc2scc(-c3ccccc3)c2c1=O 1966394 KROVJDSRRJJERN-UHFFFAOYSA-N 439.606 4.852 30 10 IJEE O=C1C=C(N2CCN(C3=CC(=O)C[C@H](c4ccccc4)C3)CC2)C[C@@H](c2ccccc2)C1 6241760 JKJSWJYMZUWECD-DNQXCXABSA-N 426.560 4.665 30 10 IJEE N#CC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)CCCC1 8641600 HSSGWPXTMUHKCF-UHFFFAOYSA-N 437.956 4.632 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(CC)cc2)nc2cc(Cl)ccc2c1=O 9085363 ILKOUYCEHQULCB-OAHLLOKOSA-N 441.984 4.768 30 10 IJEE CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C2 21250664 DCZPITIAFRCRBN-GHTZIAJQSA-N 449.547 4.885 30 10 IJEE O=C(/C=C\c1ccccc1Cl)c1cc(Br)cc(Br)c(O)c1=O 33910886 WEZVEUQSHLLHQL-WAYWQWQTSA-N 444.506 4.827 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OC(=O)c3ccccc3C)ccc2C1=O 33912794 MSJUVXQUAYCWCX-WYMPLXKRSA-N 446.455 4.856 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OC(=O)c3ccc(C)cc3)ccc2C1=O 35212380 LAXDOPBUQJBBLQ-WYMPLXKRSA-N 446.455 4.856 30 10 IJEE C=CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 35871924 HKIZPQHMPAPCJL-TZIWHRDSSA-N 449.904 4.529 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)c1OC 41430697 QKMAINUQIVFCMC-MTJSOVHGSA-N 434.419 4.987 30 10 IJEE CCN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(c2cccc(C)c2)C1=O 59446553 CCXAGGKKJZOIRD-KRWDZBQOSA-N 436.364 4.964 30 10 IJEE CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4cccc(Cl)c4)CC3)c2c1 64473944 XLEDSLCDJWDXSK-UHFFFAOYSA-N 448.954 4.691 30 10 IJEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CCOc3ccc(C(C)(C)C)cc3)C2=O)cc1 96546660 BZMLXRQVYUOQJY-SANMLTNESA-N 436.552 4.785 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OCC)cc1OC 102631735 KPGZVVWOJGLAQC-RCCKNPSSSA-N 433.504 4.836 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccc(O)cc1 169962025 RNGINPUFNLCHSA-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC(C)C)c1 169980131 PVHFNAXKMMRSGI-NRFANRHFSA-N 443.927 4.742 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)cc1 170031156 JSNYCQZDAYGFNT-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc3ccccc23)cc1 170044751 WWLMYYUFMFHANH-HYBUGGRVSA-N 427.500 4.906 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170114018 RGTUSUZDGPRKRM-HYBUGGRVSA-N 443.499 4.606 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2ccc(OCC(C)C)cc2)C1=O 170117786 AIWYHSVQRPOEEJ-UHFFFAOYSA-N 445.563 4.700 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(N(C)C)cc1 170129719 PKXGCXRIXKLUMK-BXKMTCNYSA-N 448.563 4.845 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(O)cc1 170137260 HVUFSRHTKQLANX-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccncc1 170209203 RQTZSXLHRSUGGC-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1cccs1 170269879 WZOXCYKZJNIORX-FQEVSTJZSA-N 434.473 4.743 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)c1 170288989 HZBPFVJYKQBNFD-QHCPKHFHSA-N 429.472 4.955 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)cc1OC 170298952 KRVAFNXEJJVBDH-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170307869 BREOTOVYHNYSIW-HSZRJFAPSA-N 446.503 4.894 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OC(C)=O)c1 170321022 AOSOIDMROJSBOP-QFIPXVFZSA-N 433.460 4.737 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2CCC)c1 170324503 VNFRWOFGNFEUFF-HSZRJFAPSA-N 435.520 4.865 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccncc1 170370873 KEGFBUMWWSAOPI-LJQANCHMSA-N 440.377 4.763 30 10 IJEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)c1 170431883 XUOOMZMUSWJBNK-DEOSSOPVSA-N 437.536 4.993 30 10 IJEE CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 254843504 YGGVDHLBBHBBEH-AWEZNQCLSA-N 448.519 4.575 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)N(Cc2ccccc2)c2ccccc21 438627267 ULGXCYSUYWFYIR-GOSISDBHSA-N 440.547 4.650 30 10 IJEE N#CC1CCC(CNC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)CC1 441313599 TZTOUGMABBEBGY-UHFFFAOYSA-N 433.375 4.948 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460947322 QZSBQWJIDYGWDJ-AREMUKBSSA-N 427.552 4.533 30 10 IJEE C=CCn1c(SCc2cc(Br)ccc2OCCC)nnc1-c1cnccn1 462390789 YOXCBJUVAITHTG-UHFFFAOYSA-N 446.374 4.765 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1C#N 482703419 GYVAIIQMDXTOBU-UHFFFAOYSA-N 427.917 4.596 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 505023762 OFYONWJWUZWQNM-UHFFFAOYSA-N 442.357 4.558 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 508992473 AGBZJSXJKSIQPA-HNAYVOBHSA-N 430.961 4.897 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 526490821 ZNOUYRXLWKJIKS-QFIPXVFZSA-N 427.416 4.532 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccc(C)cc2)C1=O 526662062 KJQIHHUBQRQUKG-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccccc1 549541888 INHUPMHVLGCCAZ-UHFFFAOYSA-N 432.531 4.907 30 10 IJEE C=CCn1c(N2CCC[C@H]2c2ccc(COC)o2)nnc1C(F)(F)Oc1ccccc1 567313913 PUTOWFLMBAOFDA-SFHVURJKSA-N 430.455 4.673 30 10 IJEE N#Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)c1 585905340 YCWDNUNMCKUBQK-JOCHJYFZSA-N 440.503 4.777 30 10 IJEE CC(C)c1ccc([C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2cccs2)cc1 603801645 DPQUSKYCYHXQCV-XMMPIXPASA-N 445.592 4.759 30 10 IJEE CCN[C@H](C#Cc1ccccc1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693716927 KNWRUVXXQLQVNQ-RUZDIDTESA-N 447.623 4.576 30 10 IJEE CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 732877788 HYPRFAAZNKJDIY-ZJSXRUAMSA-N 442.494 4.750 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2nc3c(s2)CCCC3)c1=S 747472687 KXHDICLVPIFVMN-UHFFFAOYSA-N 441.626 4.700 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 750834463 OZCJVABLKNYPKT-UHFFFAOYSA-N 433.980 4.854 30 10 IJEE COc1ccc(/C=C(/C)C(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F 755603572 VSPDVOCCRDMMKI-QLBUUCPGSA-N 430.863 4.556 30 10 IJEE CCOC(=O)N1[C@@H](C(=O)OCc2cc(Cl)ccc2OCC#N)CC[C@@H]1c1ccc(C)o1 786154767 PTKSJGDCAKKZPT-QZTJIDSGSA-N 446.887 4.549 30 10 IJEE N#C[C@@H](C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787064363 NFEPSQQXGIQJPD-BQYDLMEBSA-N 449.463 4.501 30 10 IJEE C=CCCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 790579283 GWBZPBGQVDALFV-UHFFFAOYSA-N 427.353 4.799 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 802581240 KDYPWEOGOUFHLG-UHFFFAOYSA-N 445.901 4.896 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 805272271 KIOXVQMTORTCNO-OAQYLSRUSA-N 439.515 4.937 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCC2(CCCCC2)CC1 809915466 OPAOFTFQZVLPSQ-UHFFFAOYSA-N 437.588 4.831 30 10 IJEE C#CCOCCC(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)c(C)oc2c1C 1125003523 DASYOZWEEIYYKK-UHFFFAOYSA-N 426.852 4.801 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1126416239 FFYFAABQPQHTHN-UHFFFAOYSA-N 425.554 4.743 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(I)ccc1Cl 1127100459 JUHNJNYWPKISQX-UHFFFAOYSA-N 443.668 4.770 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCCc3cc(Br)ccc32)c(OC)c1 1127534930 ZROGNSJMXCKMKI-UHFFFAOYSA-N 430.342 4.935 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1 1127883139 IMWAJIGKMJLANC-UHFFFAOYSA-N 428.326 4.535 30 10 IJEE C=CCN(C(=O)c1sc(C2CCCC2)nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1128003168 JCFWVDZMKNXMBT-HXUWFJFHSA-N 426.582 4.912 30 10 IJEE C[C@H]1CCc2sc(NC(=O)CCN3C(=O)CCc4cc(F)ccc43)c(C#N)c2[C@@H]1C 1129473626 BMCXGPCXEDKEPP-UONOGXRCSA-N 425.529 4.753 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(C(C)C)cc1Br 1129702244 BIZSIYLGJAJMOK-UHFFFAOYSA-N 443.139 4.806 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 1142217060 WGRUVKDZVLGTHH-AZUAARDMSA-N 432.561 4.741 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)cc1 1142298724 RGLXYSOXBSSJNN-NRFANRHFSA-N 442.437 4.846 30 10 IJEE N#Cc1cccc(OC2CCN(CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC2)c1 1167353029 CLGFOOXRLXRZMY-MHZLTWQESA-N 431.580 4.839 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCc3ccc(F)c(C)c32)cc1 1171248820 DBNUHVUEKALHBU-UHFFFAOYSA-N 446.526 4.813 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 1186394603 ALJCHJNDRURZLO-IEBWSBKVSA-N 442.325 4.601 30 10 IJEE C=CCOc1ccc(CN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C(C)(C)C)cc1 1192052937 QRYVFZMAGXEELM-UHFFFAOYSA-N 432.467 4.812 30 10 IJEE CCS(=O)(=O)N(C)c1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 1197961861 DLAVHSVYFJNDLK-QHCPKHFHSA-N 448.548 4.772 30 10 IJEE CC(C)c1noc(-c2ccc(NC(=O)NC3CCN(c4ccccc4C#N)CC3)cc2)n1 1199436839 HVBQQBXFTUOUHH-UHFFFAOYSA-N 430.512 4.522 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](C)CCc1ccc(I)cc1)c1ccc(F)cc1 1275431781 OAWWMIUAWNXAEG-MGPUTAFESA-N 449.307 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1286274138 IZHSKDWHNSTOIG-UFPGJGBJSA-N 433.644 4.717 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccsc1 1286338885 GSNVHLPNXLTAPH-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286420298 BWCJSSLDXLZLQP-QZTJIDSGSA-N 445.445 4.610 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(N(C)C)CCCCC1 1286436962 CLCMDYOEWGMERL-UHFFFAOYSA-N 430.600 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCCN1CCCC1 1286527718 PENKFEABBBRIGC-HHHXNRCGSA-N 449.643 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1286572217 ZCYMUHSJDDODAQ-REWPJTCUSA-N 434.588 4.594 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccnc(SCC)c2)CC1 1286649242 TXOQPFCVLDFQNZ-UHFFFAOYSA-N 435.597 4.877 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H](C)c1nccs1 1286692219 BHGOGJNWMPQBHP-KRWDZBQOSA-N 433.585 4.998 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCO[C@@H]1C(C)C 1286721064 YRNFGNBCWHWIBN-RDTXWAMCSA-N 437.357 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)C(C)C 1286750368 ZAFXZQUSNRTYOX-HSZRJFAPSA-N 446.567 4.808 30 10 IJEE C=CCSCCn1c(N2CCC(CC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286835810 YQEXPGQOFCROJF-KDURUIRLSA-N 449.665 4.594 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1 1295636057 BWHYRNPSUJPANB-QHCPKHFHSA-N 449.605 4.874 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1nc(C)cs1 1300275130 QHMFVUJINNPGLI-BHYGNILZSA-N 427.549 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1C 1300319275 AFAZNPWBDDRYAL-YESZJQIVSA-N 431.378 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)ccc1OC(F)F 1300328487 KINQVBLONRENOB-ILZDJORESA-N 446.542 4.613 30 10 IJEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1300358503 WWXUSHZOGSRKCE-UHFFFAOYSA-N 444.583 4.526 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccsc1 1300386874 VWQQIOYJZBCAMY-QGZVFWFLSA-N 430.375 4.852 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1300403424 JDNUUDWFZPFOKF-UHFFFAOYSA-N 427.552 4.754 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](C2CC2)C1 1300419308 KHHFYRYGVQGVBD-HXUWFJFHSA-N 426.992 4.901 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1300602128 OCMCJCKGXHNOPB-CLLDFNAGSA-N 436.600 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCOc1ncccc1Cl 1300790426 QGNDIZUHZILGJQ-JOCHJYFZSA-N 442.350 4.718 30 10 IJEE C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=C)Br)CC1 1301118980 QTFPTDKEBJICLY-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1301119687 SFNBNOKWJRLHSH-UHFFFAOYSA-N 443.473 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301143637 MDJHAYGADMWOCN-ZFWWWQNUSA-N 443.901 4.752 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1Cc1cc(Cl)c(OCC)c(OC)c1)C1CC1 1301323189 HBACAFHAKJGNDN-UHFFFAOYSA-N 441.963 4.547 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCC1)C1CC1 1301334424 MHJNHRLAQFNKLO-GBESFXJTSA-N 427.593 4.560 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1oc(CC)nc1C 1301346829 KGFIWXMKBRJSBZ-UHFFFAOYSA-N 428.540 4.748 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@H](C)C1 1301350442 YHBHLEAYUXWBMM-MOPGFXCFSA-N 448.546 4.693 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C#N)o1 1301357848 RYENLFWUPZZXGC-UHFFFAOYSA-N 431.521 4.721 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H]1CCCCO1 1301414475 DSWGIGBDPZWHNA-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1301601811 JHVIPYSPHKWVKC-IRXDYDNUSA-N 436.025 4.553 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)OC[C@H]2c2ccccc2)n(-c2ccc(F)cc2)c1C 1307495860 HBIVIFFTFAVAGZ-XDHUDOTRSA-N 446.526 4.505 30 10 IJEE C#CCN(C(=O)Nc1cnc([C@@H](C)CC)nc1)[C@H]1CCOc2ccc(Br)cc21 1310628817 IXBWVZDCIXULFC-KSSFIOAISA-N 443.345 4.744 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 1312518540 JAUJBZCXRCIEPA-LJQANCHMSA-N 447.457 4.530 30 10 IJEE COc1ccc([C@H](C)CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1315368596 HCNWHAHSMCSSQH-RZTXVSJASA-N 437.588 4.852 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(Nc3ccc(OC(F)(F)F)cc3)sc2=S)C1 1320029774 LOMZRKMEYNBGQD-AWEZNQCLSA-N 432.493 4.551 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1 1349911111 NOYJZILAAQKGRA-HNNXBMFYSA-N 443.009 4.626 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccncc1 1358872590 WMEQSXBIKMDYBL-RBUKOAKNSA-N 437.975 4.784 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1358917168 IRZUNXOUDMQAKX-SFTDATJTSA-N 425.646 4.601 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCCO1 1358986915 LNHZATSAGAZWIL-KRWDZBQOSA-N 438.984 4.845 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1c(F)cccc1Cl 1359084038 WUBPHOKSNDPVSS-CYBMUJFWSA-N 443.748 4.510 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@H]1CC 1359128450 UMPVBPYEJCROHB-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC(C)=C(Br)C1 1359135794 PBAJVGMSAOCDIR-UHFFFAOYSA-N 445.405 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1359186675 PECUPFRZLVVDAJ-NRFANRHFSA-N 441.526 4.742 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2OC)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1359236549 QCRXDOHRZXOBTE-UHFFFAOYSA-N 443.592 4.659 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1csc([C@@H](C)OC)n1 1359259205 OGIPTOUKVKIJPO-YLJYHZDGSA-N 439.585 4.534 30 10 IJEE C=CCSc1ccccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 1440973244 VZUAVPZONPWADL-HMMYKYKNSA-N 438.574 4.739 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 1450661055 LDJCISKDAVMISH-IBGZPJMESA-N 440.506 4.956 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 1456023926 ARGNOWCSVLXVJW-KRWDZBQOSA-N 435.952 4.877 30 10 IJEE C#CCN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)[C@@H]1CCOc2ccc(Br)cc21 1456444016 GHZSVUBOIZHMSK-YVWKXTFCSA-N 438.312 4.950 30 10 IJEE N#Cc1c(NC(=O)CNC2(c3ccc(Br)cc3)CC2)sc2c1CCCCC2 1459840646 DPACQIIBXUOIJC-UHFFFAOYSA-N 444.398 4.869 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 1463656172 NMCZREDXQITSMB-UHFFFAOYSA-N 426.560 4.728 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1 1467365945 FGAGDDFONSTJTC-GIVPXCGWSA-N 435.442 4.625 30 10 IJEE CCCCn1c(SCc2cccc(C(=O)OC)c2C#N)nnc1-c1ccc(OC)cc1 1472914447 ARUSVQNOKCIOBC-UHFFFAOYSA-N 436.537 4.704 30 10 IJEE C=CCn1c(SCC(=O)C(C)(C)C(=O)OCC)nnc1-c1ccc(C(C)(C)C)cc1 1472921162 KNCGYKBVMOKCGO-UHFFFAOYSA-N 429.586 4.679 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1cc(F)ccc1Br 1474771048 WZMWBNPCLVMLPE-UHFFFAOYSA-N 438.771 4.821 30 10 IJEE COC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 1476083295 FUBKSPNVMVYSKD-OAQYLSRUSA-N 431.492 4.738 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1496602840 DKYXBBIBWZSQFH-DHLKQENFSA-N 434.588 4.788 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN(C)Cc1ccccc1 1507606835 YWYZUJWYZFHEOU-FQEVSTJZSA-N 447.652 4.723 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@H]1C(=C)C 1507661917 AQYLXYPLXNALAL-URXFXBBRSA-N 448.636 4.720 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1507787153 CJDKGFRNMZXPJS-ZWKOTPCHSA-N 437.426 4.703 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1507869172 OCJMACDFGSOAGF-UHFFFAOYSA-N 432.977 4.645 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(CCOC)CC2)CC1 1507896766 LEGRENSRHGLLLE-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCc2ccccc2C(F)(F)F)CC1 1507901204 CZJHJQKBZJIAPL-UHFFFAOYSA-N 441.501 4.928 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](COc2ccccc2)C1 1507923038 KYCQNHZVULAHMZ-QFIPXVFZSA-N 431.584 4.772 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1507973245 WVSNDYVOMLYTJB-HDICACEKSA-N 433.547 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cn2ccccc2n1 1507974425 XNEMRLZTSACZBJ-UHFFFAOYSA-N 427.339 4.765 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCC(C)C)C1 1508118890 UWLPEAXUQLUGMJ-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1cnccc1-c1cccc(F)c1 1514718720 IDBCZAOCSHBCTA-UHFFFAOYSA-N 426.245 4.539 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 1515034707 CJYLUKLIPJNQTF-LJQANCHMSA-N 446.304 4.994 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3c(F)cc(Br)cc3C2)cc1OC 1517175315 ISWWEMMXAGWLDH-ALCCZGGFSA-N 446.316 4.760 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)C[C@H](C)O[C@H]2C 1517271049 RWXGXQYAVOCTOX-GJZGRUSLSA-N 425.550 4.888 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)c1 1524796867 BDVSLTLORHEFTM-GGAORHGYSA-N 447.000 4.886 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)cc1OC 1526375720 XKMOGBNOBRHBDU-BPOBUFBUSA-N 431.573 4.926 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1cc(C)c(F)cc1C(=O)N[C@H](C)c1ccccc1 1527545367 DRVOFLUNECTOMU-MRXNPFEDSA-N 431.467 4.758 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 1527806986 IMMJGYCFVOTEAJ-GDBMZVCRSA-N 438.259 4.993 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 1531515014 IGLGHTJIPQAKJL-UHFFFAOYSA-N 434.561 4.730 30 10 IJEE C#CCCOc1ccc(C(=O)N(CCN(CC)CC)c2cccc(Br)c2)cc1 1534811076 YEJVSSVQVPRBQX-UHFFFAOYSA-N 443.385 4.840 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N3CCN(c4ccc(F)cc4F)CC3)cc2)cc1 1535160829 GKZNSOSKDYJSSH-UHFFFAOYSA-N 433.458 4.786 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(Br)c(F)cc2OC)cc1OC 1536640457 HFGYFCKBUNKFNZ-SOFGYWHQSA-N 436.277 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)C1CCCC1 1538975640 ATYQYGFQPQBYMH-GOSISDBHSA-N 448.640 4.709 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1sc(C)nc1C 1539382685 OCRKACIWHJSRIO-UHFFFAOYSA-N 446.045 4.999 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1539615097 FQPZUUPYXNZLEK-WIYYLYMNSA-N 430.618 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1539623042 JOYOYXRVVYGRGN-SWUCNREESA-N 438.616 4.875 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(OCCC)nc2)CC1 1539855969 OWRSQRLKKOOPJR-UHFFFAOYSA-N 447.583 4.862 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2csc([C@@H](C)OC)n2)CC1 1539891404 BCNLYGZAZAWHHP-GOSISDBHSA-N 437.613 4.792 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C 1539902685 MARISAPFBDIAPV-GOSISDBHSA-N 440.567 4.838 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1539991062 DAFGGPGEYWNWRW-GOSISDBHSA-N 443.567 4.792 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCc1nc(C)c(C)s1 1540056291 AOYULILHGFMZEV-UHFFFAOYSA-N 432.391 4.646 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1C[C@H]1CC(F)(F)CO1 1540120690 VAPUFJKDJOMZHK-HXUWFJFHSA-N 432.515 4.561 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1C[C@H]1CCOC[C@@H]1OC 1540140905 WIECNACTBLVAKH-KNQAVFIVSA-N 438.597 4.559 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC=C(C)C 1545743521 MGVBEFPERDWNNR-QFIPXVFZSA-N 442.567 4.711 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccc(F)cc1 1564995628 CYGGQZKJKUIKFH-RUZDIDTESA-N 428.507 4.860 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 1569299084 REJINURJBZTNDP-AZUAARDMSA-N 431.533 4.550 30 10 IJEE C#CCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CCCc2ccccc21 1585189686 SEXLZTQFYDCRLO-QFIPXVFZSA-N 434.337 4.788 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C#Cc1cccs1)c1ccc2c(c1)OCCO2 1585492843 OXKBYPDFHWQABM-UHFFFAOYSA-N 431.513 4.669 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(Cc2ccccc2)CC1 1587574444 HZJIAIXREGAMEO-MRXNPFEDSA-N 438.373 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCCN1C1CC1 1587600187 VJHGZAVFXWVPNO-URXFXBBRSA-N 449.643 4.845 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1sccc1C 1587600509 ZFNAQCSKXSABPH-SFHVURJKSA-N 438.597 4.811 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1C1CC1 1587677083 BWWFSDBHZCXRMI-XLIONFOSSA-N 444.048 4.699 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCOCC2)C1 1587705495 FIPOZDYQVRAEKY-LJQANCHMSA-N 442.991 4.882 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1587718965 ROCSEKVWXFEPCA-OAQYLSRUSA-N 449.643 4.739 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1ccccc1 1587898274 MQCPIRNADJCCFJ-NRFANRHFSA-N 437.588 4.790 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)CCC(C)C 1587921518 ADAOIDMUKINHTA-AREMUKBSSA-N 433.600 4.609 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCSC1 1588193286 AGUFAQPPVPLTEF-RTBURBONSA-N 438.666 4.738 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1589028073 XNBVAGPDWKXYDE-FQEVSTJZSA-N 438.000 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@H](C)C1CCC1 1589506177 SJWFVFPMNNDUAW-AGHHOFFYSA-N 439.560 4.849 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)Cc2cccs2)CC1 1594127818 GDEPQDYLRVBDJM-IBGZPJMESA-N 438.597 4.962 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@H](C)C1 1594572476 BTKGKLUPBOZTPU-HUUCEWRRSA-N 437.357 4.817 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1594709145 JXXSHLISSBUHML-FQEVSTJZSA-N 427.911 4.677 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1594913790 OQNAADDAYWAXIA-NZQKXSOJSA-N 442.604 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(F)F)cc1 1595162166 YAGUKERWEAXNFF-QGZVFWFLSA-N 446.523 4.686 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1595228540 FKRWGXNJKONWSQ-UHFFFAOYSA-N 425.945 4.915 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCSC2)C1 1595700694 RGEWVWYDWBODEJ-DOTOQJQBSA-N 436.984 4.662 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1595884519 MQFQDARHWKBNFC-OAQYLSRUSA-N 427.662 4.891 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1CCC(C(F)(F)F)CC1 1606966207 FPUITBFJABUHTB-XBMUEBEBSA-N 441.542 4.917 30 10 IJEE CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1614162659 CBZHDBVODOXKQM-HXUWFJFHSA-N 434.544 4.547 30 10 IJEE CCCN(CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1614711266 CTWYFXUAMHPPKH-UHFFFAOYSA-N 435.403 4.724 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)C(C)C 1615895569 TVYGYJXNXUVDBQ-LJQANCHMSA-N 439.825 4.949 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccn(-c2ccc(Br)cc2)n1 1616400237 YUEPKIVTOPFTQU-UHFFFAOYSA-N 426.314 4.785 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 1617524439 NAJBFBMYAARLMD-BAGYTPMASA-N 428.573 4.938 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccc3ccccc3n2)CC1 1618097108 HNGYMCQIDSIAAK-UHFFFAOYSA-N 441.453 4.781 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN([C@H](CC)c3ccc(Br)cc3)CC2)c1 1622737842 RXXVXFDVEYATOU-OAQYLSRUSA-N 426.358 4.731 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 1623647358 CMTRIMMREHEBJI-QFBILLFUSA-N 446.979 4.613 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCCc3c(C)cc(C(C)(C)C)cc3C)ccc2c1=O 1624424598 HIBHLSAWOGLLBB-UHFFFAOYSA-N 449.620 4.758 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)c1 1625587007 BBHIMJHAJCBVQY-HNNXBMFYSA-N 437.849 4.760 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 1629771028 OLTZUGUONFWTOM-FQEVSTJZSA-N 447.348 4.790 30 10 IJEE C#C[C@@H](NC(=O)NCCOc1cccc(Cl)c1Cl)c1ccc(Br)cc1 1630020653 BIAWHVJSOKVTSF-OAHLLOKOSA-N 442.140 4.808 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cccc(CN3CCCCCC3)c2)cc1OC 1631608516 ZKDLAECSRVITIW-WYMLVPIESA-N 434.580 4.966 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@H]3CCCC[C@H]3c3ccccc3)CC2)c1 1635281049 CVTFYVSTTABUJP-AHWVRZQESA-N 430.596 4.796 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)s1 1636422357 KGBLETHVIGWOOA-OAHLLOKOSA-N 446.926 4.750 30 10 IJEE C=CCNc1ncc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)s1 1636699858 KHNJYWWQSNHFSV-OAHLLOKOSA-N 425.476 4.752 30 10 IJEE C=CC1(CC(=O)N=[S@](=O)(CC)c2cccc(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1640482532 UVIUTNQPFCYLJJ-NDEPHWFRSA-N 426.966 4.527 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)cc1OC 1647047062 RBPLDSYTQNRQPH-MRXNPFEDSA-N 446.922 4.600 30 10 IJEE C=CCc1cc(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)cc(OC)c1O 1650718886 RITWBMQMIJDZLU-UHFFFAOYSA-N 437.584 4.946 30 10 IJEE C=CCN(Cc1ccccc1F)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1652333587 UVRPRHILSLZTSQ-VWLOTQADSA-N 438.568 4.842 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc(OC)c1OC 1653847352 FWRAOTYMUZUSDZ-UHFFFAOYSA-N 430.353 4.526 30 10 IJEE C#CCN(Cc1ccnn1-c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1659177878 QZLLFXROAKMQAK-NRFANRHFSA-N 440.316 4.733 30 10 IJEE C=CCN(CCc1ccco1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1661129058 LZZGWSWYWLVAFA-UHFFFAOYSA-N 427.366 4.737 30 10 IJEE Cc1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)sc2ccccc12 1663262292 BTSRDECGDSXHOK-GFCCVEGCSA-N 435.368 4.883 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 1668622713 HTQGJCBBGHKQQZ-JOCHJYFZSA-N 426.923 4.724 30 10 IJEE COc1ccccc1C1(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCCC1 1668748120 DYBHIDZFFMPXKA-UHFFFAOYSA-N 433.487 4.525 30 10 IJEE O=C(N[C@@H]1COc2cc(F)ccc2C1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 1669035525 DOALEVPZXMSSBN-LRDDRELGSA-N 436.327 4.751 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)cc2n1 1673220460 JNLHTYRUEUYRTG-GOSISDBHSA-N 429.446 4.642 30 10 IJEE CN(C[C@@H](O)c1ccccc1Br)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1677754321 FTUWFVHDBUYSBR-GOSISDBHSA-N 446.345 4.695 30 10 IJEE CN(Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1679391483 BUQLZCADKSMXML-RUZDIDTESA-N 428.536 4.660 30 10 IJEE C=CCC1(CNC(=O)NCc2ccc(I)cc2Cl)CCCC1 1681723452 OGFCDBGDMUBFKL-UHFFFAOYSA-N 432.733 4.880 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1F 1682367663 PMWUHHKKLWEDLT-IRXDYDNUSA-N 449.231 4.858 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1)c1ccccc1 1684989301 SILKEFBCUCWUTM-RBUKOAKNSA-N 427.570 4.916 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)CCCC2)cc1 1685814771 BZQGUXFERDEWDW-UHFFFAOYSA-N 445.611 4.594 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(C)(C)OC(C)(C)C1 1689886622 BACSHCPSTMIEDE-UHFFFAOYSA-N 433.556 4.797 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@]2(CC=CCC2)C1 1689914978 MAWWXBVICZUHRG-OAQYLSRUSA-N 428.378 4.776 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(OCC2CC2)CC1 1689918153 SRVJHPPEWLSENZ-UHFFFAOYSA-N 449.418 4.578 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC(F)(F)C1 1690096445 SZULSVXJZXSBQA-KRWDZBQOSA-N 448.583 4.797 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)CCOC 1690195348 JLCDIFOREJIOEN-HSZRJFAPSA-N 432.515 4.601 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H](OC)C(CC)CC 1690199872 BYYFYSWUERHTMA-CJFMBICVSA-N 438.572 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1690264605 XZKAJODSWQYRGV-RTWAWAEBSA-N 432.012 4.878 30 10 IJEE C=C(C)Cn1c(N(C)[C@H](C)c2cccc(O)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690296794 OMTZFKMNHDVRSS-QRQLOZEOSA-N 441.576 4.528 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C)C(=O)[C@H]1C 1690454022 QUDZWMWBODRQIR-OAHLLOKOSA-N 444.004 4.836 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC([C@@H]2CCOC2)CC1 1690493368 GKWYARDMTNRGPF-HXUWFJFHSA-N 442.629 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@H]1CCCN1CCC 1690560232 QZVJSSKVCSQCKZ-DEOSSOPVSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1 1690579998 XLDPGDKJSBHGMI-OAQYLSRUSA-N 447.564 4.676 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCSC[C@@H]1C 1690736239 XPAPEJMUKCOEOY-AWEZNQCLSA-N 439.448 4.569 30 10 IJEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)CCO1 1694461155 GYVKIZLPJQKDCK-VWLOTQADSA-N 437.588 4.560 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C1CCC1 1696646715 DTMBFDKDRXEHSQ-AUSIDOKSSA-N 437.588 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1705677137 CKLBVXCBMPQRIX-KHCICDEESA-N 442.991 4.708 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Cl)s1 1705701303 AIONUNZQPGNHMJ-DNVCBOLYSA-N 431.993 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCc1nnc(C)s1 1705711611 ASAADBHRCAKECR-UHFFFAOYSA-N 434.972 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1705717635 OFPCCTZACUFENN-LJQANCHMSA-N 437.519 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1705789892 BIKJPXWXPYJOTK-IBGZPJMESA-N 434.588 4.531 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)C1)c1ccccc1 1705795948 VKGYJXFQOSTWMM-FPOVZHCZSA-N 430.556 4.522 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(C)no2)C1)c1ccccc1 1705797476 XCKLVKVDQDRVIF-FGZHOGPDSA-N 434.588 4.912 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(Cl)cc1F 1705847959 JGJBLXXHLRSSEA-WOVMCDHWSA-N 449.958 4.512 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cccs1 1705878076 SUAHUCLNOLDCKV-RUZDIDTESA-N 445.592 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2nc(C(C)C)cs2)C1 1705919772 KPTCETPCWADJJC-HXUWFJFHSA-N 437.613 4.917 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(C)(F)F)c2)C1 1705922831 UBHJEUYHYGGITG-FQEVSTJZSA-N 439.510 4.590 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 1722309151 VUXVGKWBPVOAOW-WIYYLYMNSA-N 430.593 4.939 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1722309603 CTWJMMQRWLJXQE-UHFFFAOYSA-N 428.024 4.959 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1722321175 YIHZRGZNVOMUIK-FQEVSTJZSA-N 438.616 4.962 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](c1ccsc1)N(C)C 1722348339 XLKJODNEUJQLHH-SFHVURJKSA-N 434.396 4.686 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1SCCc2ccccc21 1722416560 NGKVTNKQFMTDKW-BHIFYINESA-N 438.641 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2OCCC2(C)C)CC1 1722560881 FXKPVFPYHDQGHA-LJQANCHMSA-N 445.405 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3cccc4cccnc34)n2CCOCC(F)(F)C(F)F)CC1 1722562316 UTHUHXNYIFBFJA-UHFFFAOYSA-N 449.452 4.567 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722580324 HWAFFYFWVFERLL-LNRXMEIDSA-N 428.621 4.580 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCO[C@@H]1C(C)C 1722637017 OBZWJETYJMPGFG-VQIMIIECSA-N 433.394 4.781 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@H]2CCCN(C(C)C)C2)o1 1724296021 GHMBUYZJRHVYDJ-OAQYLSRUSA-N 426.609 4.733 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCn2nc(C)cc2C)cc1 1727374323 DRBAGJUSNMOOHS-UHFFFAOYSA-N 431.588 4.541 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1c(C)coc1C 1740681918 GLYBXWROONEHIP-UHFFFAOYSA-N 438.597 4.620 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCc1ccc(Cl)cc1 1740756933 LVADBISWARTETA-RBBKRZOGSA-N 437.975 4.654 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccc(C)o1 1740792660 KDVRPVMKXZCYBM-UHFFFAOYSA-N 433.512 4.731 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1740797940 WVZVNMRJCODHIG-LJQANCHMSA-N 434.531 4.548 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H](OC)C(C)C)CC1 1740823571 DSANYPLNYNSQQO-UGKGYDQZSA-N 428.577 4.644 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)N2CCCCC2)CC1 1740824455 LWFNWGSHCXCLGL-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)N(CC)CC)CC1 1740835213 ITAPFRNQOYWBMI-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740881820 RIYOSHHPWMCOIH-HTAPYJJXSA-N 449.020 4.574 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@H]1CCCN(C(C)C)C1 1740921268 OWGNDFFAESMKAP-NRFANRHFSA-N 427.612 4.929 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1Cc1c(C)noc1C 1740936162 JPYYKQGKYCPXPA-UHFFFAOYSA-N 431.540 4.989 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCCCCC[C@H]21 1740946654 FLRLVSSQGQYZAY-WOJBJXKFSA-N 429.609 4.738 30 10 IJEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CCOC)CCC2)CC1 1744958959 GKCQMUVCNJZAKB-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCO[C@H]1C(C)C 1748773645 ALPFWNKNWNPNFK-KXBFYZLASA-N 428.989 4.944 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1748855767 KJYZNRSNBLNKRQ-UXHICEINSA-N 444.501 4.840 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC1(CCOC)CCCC1 1748941121 XWSBMAXYAIZWHQ-UHFFFAOYSA-N 426.580 4.951 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC1(CCOC)CCCC1 1749073026 CPZNMIRAARGESQ-RUZDIDTESA-N 436.600 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCC1(OC)CCC1 1749080272 JKDNOHBRKLXRBJ-HSZRJFAPSA-N 440.613 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCOC[C@H]1OC 1749147040 WYCLOHONIVVELY-IFMALSPDSA-N 426.605 4.697 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCOC2CCCCC2)CC1 1749309102 CJLPVIPFRHHVHC-UHFFFAOYSA-N 438.616 4.968 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCSCc2ccccc2F)CC1 1749343361 HHKXNRHLLSBDMT-UHFFFAOYSA-N 437.588 4.739 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1749441819 JEHIKHMZBPVOAM-UHFFFAOYSA-N 429.568 4.923 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccnc(SC)c1 1749553935 XQOJDLFLUPKMJE-UHFFFAOYSA-N 448.621 4.683 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1cn2ccc(C)cc2n1 1749591835 ZXCYQPRBWFAPKY-UHFFFAOYSA-N 432.572 4.699 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749620748 PAVORVBYPJAZDH-LJQANCHMSA-N 428.577 4.712 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(SC)CCC2)C1 1749698267 SGQBRNZRBRRMCV-FXAWDEMLSA-N 446.592 4.624 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760161403 JCTCXIUOLSBHIZ-CTNGQTDRSA-N 443.636 4.821 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CC1 1760317228 CJRGETWSKZDJAD-VQIMIIECSA-N 431.378 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2CC(OCC)C2)CC1 1760398395 WQPFOTYZEIRFFY-UHFFFAOYSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760412182 WVVYNGNCVDIQEP-MJGOQNOKSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760416061 SYYCRZYMGOBNPW-FGZHOGPDSA-N 440.588 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@]1(OCC)CCOC1 1760416300 ZSJPILZZJATHNM-KOSHJBKYSA-N 430.568 4.869 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C)(C#N)CC1 1760453341 SXRSOAZXSKXIQA-UHFFFAOYSA-N 425.602 4.602 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1760458609 MVHRWEWIUWMTHW-UHFFFAOYSA-N 425.577 4.529 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1ccc(F)c(F)c1 1760488348 SIEMRGJOYOFYHV-HXUWFJFHSA-N 430.524 4.905 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCO[C@@H](C)C1 1760491282 AABUTKAOSRBKKX-JKSUJKDBSA-N 449.368 4.840 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1[C@H]1C[C@@H]1C 1760501013 DXCLNQCDRFEZCE-IHPCNDPISA-N 441.576 4.759 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)(C)C)CC1 1760563352 NYLDFHUIINKOPK-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)nc1C 1859736941 DITQULCSVUGXIH-UHFFFAOYSA-N 449.488 4.863 30 10 IJEE CCCCCCCCCNC(=O)CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 1860190282 WCZDRVMWIKGCPX-UHFFFAOYSA-N 433.549 4.562 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)NCCn2ccc3ccc(Br)cc32)c1C 1860322421 NNYOWMYBRIIRGQ-UHFFFAOYSA-N 443.389 4.542 30 10 IJEE Cc1ccc(CCC(=O)Nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1 1860916087 ACLQRAVMNQVBIG-UHFFFAOYSA-N 442.475 4.527 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)Cc1cc(OC)ccc1Cl)[C@@H](C)CC 1860982609 MDUPEHYBMLCQFS-JTSKRJEESA-N 425.013 4.899 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862462243 XVPQXAASHPXWMM-YBTHPKLGSA-N 449.425 4.585 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 1862475059 BZGKRWSZIOPNGN-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862478467 IBIORTCKPWHTPZ-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(N(C)C)cc1 1862594583 GORJSDHUJPGLQA-XORNHQRDSA-N 434.536 4.615 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862628053 UPKGAJWAWAMTJG-FCORRRHLSA-N 449.503 4.581 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862662990 MUKAQHLQAABJNU-GMAHTHKFSA-N 435.520 4.576 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862673810 OVKMLZVFMHLTEL-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2C)cc1 1862737377 VUHJHJKDKQKSJY-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1863679218 VUAFGPIRBUUEJA-JOCHJYFZSA-N 442.600 4.684 30 10 IJEE Cc1ccccc1OCCCC(=O)Nc1c(C#N)nnn1-c1cc(Cl)cc(Cl)c1 1870144903 NCPNMWJSTSKETK-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE CCCCCCOc1cn(C[C@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870186980 XXILLYIKYFTGJO-INIZCTEOSA-N 443.613 4.672 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CSCc1ccccc1 1870204230 ITOXQOZJPNDCQP-UHFFFAOYSA-N 438.524 4.624 30 10 IJEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871251981 FSGXHAGSYCHPGL-UHFFFAOYSA-N 442.563 4.943 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(NC(C)=O)c3)ccc2C1=O 1871364431 CLDQSDRULMYIKT-OYKKKHCWSA-N 443.455 4.879 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c1 1871404062 ICSOHXXEGUOSHB-SGMWPGOQSA-N 445.471 4.726 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871441391 BQTIHXNEPGHBHY-UCQKPKSFSA-N 427.456 4.831 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(OC(F)(F)F)cc2)[nH]1 1871573214 FVUOPJUKPCICQH-UHFFFAOYSA-N 436.482 4.716 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871911587 RCNQBMXEYKLUHC-IERDGZPVSA-N 434.627 4.985 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCCCCCC)cc1)[C@@H](C)CC)S(C)(=O)=O 1872175266 SFIUEYZTRHCRGK-SIKLNZKXSA-N 438.634 4.837 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OC)c(Cl)c1)S(=O)(=O)CCCC 1872347368 BFIQOZZVVIWBJB-IBGZPJMESA-N 445.025 4.854 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872533788 RWFZSUAIPOCUKA-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCC)NS(=O)(=O)c1ccc(OCC)cc1 1872612922 IWHKWASSRIQNMB-JOCHJYFZSA-N 440.650 4.789 30 10 IJEE Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872776587 SMNAQTZASARLRD-HNNXBMFYSA-N 426.385 4.564 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874197810 BMQSBKSIXVDXAC-LFVJCYFKSA-N 447.520 4.955 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1 1874230773 BLRZPDIQXUFHMD-YDZHTSKRSA-N 428.945 4.988 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1cc(OC)ccc1OC 1874375923 VGBIWWVHKBXYPW-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1ccc(F)cc1)Nc1ccccc1 1874420304 GSUGEINDTOPFTE-YDZHTSKRSA-N 437.525 4.759 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874438598 JBTCKVDWTUQMAW-FSJBWODESA-N 443.504 4.794 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)cc2)cc1 1874454181 DJIJVRMHUCBRIJ-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(OC(C)=O)cc1 1874710356 YBJJCJBNVQPRJK-QLKAYGNNSA-N 434.419 4.875 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2cncc(C)c2)c(OC)c1 1875118521 AWVVRFSAKQWHNQ-MDZDMXLPSA-N 433.460 4.531 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(F)ccc3Br)ccc21 1890473479 FMRQQWMBOPXHHV-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@](C)(O)c1cc2cc(Br)ccc2o1 1922052833 WXPFYSQHOPTKBB-YADHBBJMSA-N 430.342 4.764 30 10 IJEE Cc1sc([C@H](C#N)C(=O)CSc2ncccn2)nc1-c1ccc(Br)cc1 2084270808 KNRXFSIQLRATQK-CQSZACIVSA-N 445.367 4.640 30 10 IJEE C=CCN(CC[C@@H](NCCC)c1nc(CCC)[nH]c1Br)C(=O)OC(C)(C)C 2155522420 ZKGLVNWIRKRNSB-OAHLLOKOSA-N 443.430 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CN(c2ccc(C#N)c(Br)c2)C2CC2)C1 2174813284 UILGNDNNNXNESP-HNNXBMFYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(c2cccc(Br)c2C#N)C1 2174815329 RYMDFWVLQJIEDP-CRAIPNDOSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)C2(CCCC2)C1 2179890294 JFXQYUHNRQBQOW-UHFFFAOYSA-N 434.378 4.686 30 10 IJEE CCC1(C(=O)Nc2cc(Br)ccc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2181133284 QPOGRNTVHRGLMZ-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccc(Nc3ncc(Br)cc3C#N)cc2)CC1 2206278934 CQYMZTUNASFJTH-UHFFFAOYSA-N 429.318 4.973 30 10 IJEE O[C@H](C#Cc1ccccc1Br)c1cc(Cl)ccc1I 2227479975 FMIZQJLCMKRJQW-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@H](O)CC#C[Si](C)(C)C 2229100186 WKJYIQAOHJQDMM-QZTJIDSGSA-N 440.454 4.517 30 10 IJEE N[C@@H](C#Cc1cccc(Cl)c1)c1ccc(Br)cc1I 2230990923 AYBMPMXDBRGPPJ-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C 2235731522 QLUUFXNWOCTGPM-JXFKEZNVSA-N 445.348 4.717 30 10 IJEE C#CC[C@@H](CC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237431059 PAXLQVDNIIYEKB-LPHOPBHVSA-N 434.374 4.894 30 10 IJEE C#CC[C@@H](CC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237431061 PAXLQVDNIIYEKB-QFBILLFUSA-N 434.374 4.894 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC[C@@]4(CCCN(Cc5ccccc5)C4)C3)CC2)OC1(C)C 2267501770 CRKYJLZIUMJNML-RUZDIDTESA-N 438.421 4.518 30 10 IJEE C=CCN(C[C@H](Cc1c(F)cccc1Br)NCCC)C(=O)OC(C)(C)C 2273823630 NEKKZUWXFAVJFW-HNNXBMFYSA-N 429.374 4.922 30 10 IJEE Cc1ccc(C(=O)C#Cc2cccc(Br)c2)cc1I 2278726883 CUHHAEHPJXYMDX-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccccc3OCc3ccccc3)c(F)c2)OC1(C)C 2281790008 QHPUVOJBMSKPFW-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C(=O)C#Cc3ccc(Br)cc3)C[C@H]21 2296268825 IZZWZAGDASOOBP-JENIJYKNSA-N 432.358 4.795 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](C#Cc2ccc(Br)cc2)NCCC)C1 2296292438 YKVFZHYBWSULND-LJQANCHMSA-N 433.390 4.782 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(C)C=CCCN1C(=O)OC(C)(C)C 2296294744 XKOFMQNOWKQRTH-UGKGYDQZSA-N 433.390 4.734 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2296296950 UFKGJTAZCZSEDV-VQTJNVASSA-N 431.374 4.558 30 10 IJEE COC(=O)c1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 2314557488 JMFAANPTPZXSRC-UHFFFAOYSA-N 449.444 4.533 30 10 IJEE C[C@H](Oc1ccccc1C=C1SC(=Nc2cccc(Cl)c2Cl)NC1=O)C(=O)O 2314931512 GNMJHSKOVWVOSB-JTQLQIEISA-N 437.304 4.737 30 10 IJEE CCC[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317307466 AXPIBTMTNHUWLH-SFHVURJKSA-N 431.386 4.832 30 10 IJEE CC(C)Oc1ccc(C=NNc2nc(O)cc(-c3ccccc3)n2)cc1Br 2318415137 LQEDXRHYYLUCOA-UHFFFAOYSA-N 427.302 4.845 30 10 IJEE CC[C@@H](C)N1COc2ccc3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322088887 FABORNQWDLTUGU-CYBMUJFWSA-N 427.884 4.773 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2323126383 IDZQKAUJTNQHQQ-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE CCN(CC)CCOc1ccc2c(c1C)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2325703583 BKPUBYWNGQCGCK-UHFFFAOYSA-N 443.927 4.852 30 10 IJEE Cc1cccc(C)c1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747808 QIQVJXVTLGWGMS-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2329121557 OKRFCBBVVQNLTQ-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCCCO 2329127490 WDIUXDRMSYNBPJ-UHFFFAOYSA-N 444.988 4.666 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(Cl)c1 2329787136 MMISLWYAHIISKW-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cccs1 2331320116 IYQWXMNRRWMKGD-UHFFFAOYSA-N 427.599 4.912 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2OC)c1 2331467447 SGFDIHQVDGLUFW-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)C=Cc3ccc(Br)s3)C2)OC1(C)C 2342482540 XBPAFNYUPPRHGB-SFHVURJKSA-N 426.185 4.609 30 10 IJEE CC[C@H](N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836018 JMUDSRSCQQLIKJ-NZJKTDFXSA-N 448.460 4.937 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2365159939 ARECOZSCUSDIBY-KPLVRAHFSA-N 433.390 4.568 30 10 IJEE N#Cc1c(NC(=S)NC(=O)c2ccccc2OCCc2ccccc2)sc2c1CCC2 10510310 RDGFKTDYNXWLDS-UHFFFAOYSA-N 447.585 4.857 30 10 IJEE COc1cccc(CN/C(=N/C(=S)Nc2ccc(C)c(C)c2)Nc2nc(C)cc(C)n2)c1 14156078 VTTDICPDTRBQSL-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 20327891 ZWMVTWCVWLTNMI-OAQYLSRUSA-N 447.520 4.809 30 10 IJEE C[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 29760917 DEQIHMBILOAUHC-FQEVSTJZSA-N 436.515 4.837 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 39754480 LSQJLRYSEBCDSS-UUYOSTAYSA-N 431.400 4.577 30 10 IJEE C=CCc1ccc(OCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)c(OC)c1 40198371 SINVNXRPMAHNLR-UHFFFAOYSA-N 435.568 4.557 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc5c(c3)OCO5)CO4)C2=O)cc1 41652445 PNFYBEVINAXDNP-VROXFSQNSA-N 427.456 4.692 30 10 IJEE N#CCCCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)c1 108733378 QGVOAAJUMKVYPY-PKTZIBPZSA-N 431.536 4.703 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2cccs2)cc1 169921170 NZIHIRBWNAGUJB-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1 169997646 JNFOSUMFMJIQDB-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2cccnc2)cc1 170014238 CUWJAYIKFGYVAK-QFIPXVFZSA-N 438.487 4.612 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)c1 170118132 MUJVSLUNQANMRS-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)ccc1OCC(C)C 170178094 WDENODKRRONOQZ-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170199669 UZTUCKHETCRHPB-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)c1 170224656 DRPQULUVZXKODS-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1c[nH]c2ccccc12 170255242 BOPHKDYKNLOBCM-QFIPXVFZSA-N 434.492 4.564 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)c1 170271732 FHFITVVKESIQEX-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccc(C)o1 170309267 CEKKDVRIXCUVJD-LJQANCHMSA-N 433.888 4.637 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(OC(C)C)c2)cc1 170475456 RUVRVGCSBALKBH-DEOSSOPVSA-N 437.536 4.993 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)[C@H]2C 439793443 NGMNHAMXAXZBJP-HNNXBMFYSA-N 435.915 4.936 30 10 IJEE C=CCOc1c(Br)cc(CNC2(C(=O)Nc3ccccc3)CC2)cc1OCC 495163701 KDRCFLABFSLFGK-UHFFFAOYSA-N 445.357 4.674 30 10 IJEE CCOc1cc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526489771 SDFXLZJMIGBRTM-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCN(Cc1ccccc1)C1=C(Sc2ccccc2)C(=O)N(c2ccc(C#N)cc2)C1=O 526680674 QLKNVUCXOOKPSI-UHFFFAOYSA-N 439.540 4.957 30 10 IJEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526812107 ZIGALMVJHUCWSO-FMCGGJTJSA-N 446.960 4.694 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2/N=C\c2ccc(OC(C)C)cc2)o1 526829822 BOIYGJDVVCNTDM-QRVIBDJDSA-N 442.541 4.572 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 549253121 ZMHUYOXUGGHOHO-QGZVFWFLSA-N 439.585 4.687 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](c2cccs2)C1 558982441 OGNSMZQWMIAOSL-QGZVFWFLSA-N 432.496 4.762 30 10 IJEE CCOc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2)cc1OCC 586196365 SBMFKKQAYWEJBW-UHFFFAOYSA-N 436.533 4.751 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 609296846 ZIXXXSLRRNXDJJ-INIZCTEOSA-N 432.480 4.515 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Br)c1 698374404 KVKZWYLXRSDQHA-AWEZNQCLSA-N 448.155 4.660 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 735328383 AEHDAQNMVWFPMZ-QFIPXVFZSA-N 448.906 4.847 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 750687163 LEJCOYXYFMFQPR-GAJHUEQPSA-N 425.554 4.942 30 10 IJEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1C 792747572 AOMWWOXNNZIOAI-IRLDBZIGSA-N 447.560 4.570 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(OCCCC)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1125010737 MGVCSHILAWVPIC-RUZDIDTESA-N 446.588 4.836 30 10 IJEE N#Cc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)cc1Br 1128903975 FERQFSBZVNYHQZ-UHFFFAOYSA-N 439.288 4.777 30 10 IJEE C[C@H]1CCc2sc(NC(=O)CCN3C(=O)CCc4cc(F)ccc43)c(C#N)c2[C@H]1C 1129473619 BMCXGPCXEDKEPP-KBPBESRZSA-N 425.529 4.753 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2c(C(=O)OCC)ccc(Cl)c2OC)cc1OC 1131415630 GLOYSBFWEKHKQM-WQLSENKSSA-N 445.899 4.751 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccccc1 1134655233 ZQZSHTBELJHSHU-IPBJYNAHSA-N 431.513 4.994 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1OC1CCOCC1 1157565920 ZNIGPIAPPJAZBQ-LJQANCHMSA-N 436.524 4.572 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1ccc(Br)cc1[N+](=O)[O-] 1162731361 AVHQMURDZWXOMZ-UHFFFAOYSA-N 447.314 4.865 30 10 IJEE CCOc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C(C)C)cc1OCC 1184908613 GXKPLEUVYBILRL-OAQYLSRUSA-N 436.961 4.685 30 10 IJEE C[C@@H](SC1CN(C(=O)OC(C)(C)C)C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 1189841978 BOSRRWWMKPEKDC-CYBMUJFWSA-N 435.615 4.568 30 10 IJEE C=CCCN(CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)OCc1ccccc1 1193565584 ZQHPDKKUOHNTTL-QGZVFWFLSA-N 442.581 4.608 30 10 IJEE C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(F)c(Br)c1 1203304016 FIRKQTGPTOGHFG-NSHDSACASA-N 446.255 4.667 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@@H](C)C2)n1 1221880895 UTIOBWBQTBDLHD-LFAGZIFBSA-N 436.600 4.550 30 10 IJEE C=CCCC1(CNC(=O)N2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)CCCC1 1230929421 ZBTZVWTXAXIUMR-LJQANCHMSA-N 434.650 4.594 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1252601025 LJMAYDNEVFWKHH-JOCHJYFZSA-N 435.568 4.793 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1253982732 RFESZQBFLVRDOO-IBGZPJMESA-N 433.568 4.949 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)ccc1SC 1286304588 IIXAHRJZOSBJPF-XFQXTVEOSA-N 430.593 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@@H]1CCCCN1CCCC 1286528417 ZSBQOGGNMMFQOS-RPLLCQBOSA-N 433.644 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1 1286582785 FMBIBWVZBLJMJZ-QFIPXVFZSA-N 447.004 4.882 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ncnn2C(C)(C)C)CC1 1286655677 OTURXHRLLPIJNT-UHFFFAOYSA-N 443.958 4.535 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2nc(C)no2)CC1 1286695904 MYYDSMHBCNUGQS-UHFFFAOYSA-N 442.951 4.649 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@H]1OC 1286752874 LDSGILVMSTXECM-DNVCBOLYSA-N 449.368 4.840 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1286754002 OKHKEXKOAVJNGZ-KNQAVFIVSA-N 434.613 4.663 30 10 IJEE CCOC(=O)Nc1scnc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 1292564092 FUJKSWZEEPBUSO-UHFFFAOYSA-N 438.465 4.636 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)C1 1297397409 BSCIMLSCZMQHSM-UYAOXDASSA-N 429.515 4.505 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@@H](SC)C1 1300746406 RUVRUYCZJQPMRC-MRXNPFEDSA-N 439.025 4.826 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CCC1 1300868013 ATFZETZIUCAIRX-SUMWQHHRSA-N 437.407 4.739 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(F)F 1300880698 KCAHOAUQFXTHIV-IIBYNOLFSA-N 429.515 4.509 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCCC[C@@H]2C)CC1 1301129692 ZMVJATSZNRTHJC-IBGZPJMESA-N 442.677 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1301140880 DUXUAMGHGLMSTP-HXUWFJFHSA-N 437.632 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301144055 UDFDAEQGUUJBCN-SFHVURJKSA-N 429.996 4.727 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301174189 OAWFEPXNNSAQNL-WIYYLYMNSA-N 438.551 4.989 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](COC)C1 1301208828 FZOOFSNCMIPYFZ-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CCc1sc(C)nc1C 1301399957 YSRVZHSOPQEWIQ-UHFFFAOYSA-N 444.608 4.891 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCC(F)(F)CC2)C1 1301564974 BPNUUOTXOOIXGD-NRFANRHFSA-N 446.542 4.772 30 10 IJEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1302515394 GPLRAFMDNQFNCL-UHFFFAOYSA-N 435.601 4.508 30 10 IJEE Cc1cccc(CCCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@@H](C)CC#N)n1 1304485752 HPQOIAINCSRRCE-IBGZPJMESA-N 441.539 4.675 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1307596432 GYGYKBQFOTWMJU-AREMUKBSSA-N 444.966 4.557 30 10 IJEE C#CC[C@@H](NCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1)c1ccccc1 1307632127 HEXWSPOJTIJYGM-XNMGPUDCSA-N 437.543 4.727 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1309579895 OGDRGEOJPYGYJO-JOCHJYFZSA-N 438.524 4.544 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1c(F)cccc1-n1cccn1 1310862971 CSUZZZIFBVUZAG-UHFFFAOYSA-N 445.292 4.660 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](c2cccc(OC)c2)c2ccccc2Cl)cc1 1312020959 PZUOUVUDZIOWTK-XMMPIXPASA-N 434.923 4.949 30 10 IJEE 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GPCIKLWCWMCXCS-XLIONFOSSA-N 445.405 4.988 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1ccnc(C(F)(F)F)c1 1595009960 NYZAZBSQDHOVLJ-UHFFFAOYSA-N 431.462 4.504 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCCN1CCCC[C@H]1C 1595085517 WSWQCSNACCMHIE-OAQYLSRUSA-N 434.632 4.904 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@H](F)C1 1595275817 PUVFLTSLEBWBIV-KGLIPLIRSA-N 443.386 4.546 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCC2(C)C)C1 1595729426 MGPKWJIHDHIGFL-QZTJIDSGSA-N 430.543 4.755 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1595879693 ZJZGNLANMCHTDI-OALUTQOASA-N 447.674 4.549 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 1597191590 VHWJCWWXLZXUMV-GIWBLDEGSA-N 444.497 4.919 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl 1597602470 XJXLGVSXQODUBL-SJLPKXTDSA-N 427.372 4.909 30 10 IJEE C=CC[C@@H](C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1)c1ccccc1 1610410788 IAOUVGQLJFKFSA-QGZVFWFLSA-N 443.288 4.980 30 10 IJEE C=CCn1c(SC[C@H](O)c2ccc(F)cc2)nc2sc3c(c2c1=O)CCCCC3 1613117885 CYNUBIFTTDASQE-KRWDZBQOSA-N 430.570 4.878 30 10 IJEE N#Cc1ccc(CCNC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 1622831766 GNMZPWHWNUCHLF-UHFFFAOYSA-N 441.354 4.732 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(Cl)c1 1627814989 SZFLPWRRIIDRLK-QGZVFWFLSA-N 439.947 4.585 30 10 IJEE C#CC(C)(C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1629189510 GXYORCDGVMTKLQ-VWLOTQADSA-N 438.527 4.794 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCOc1ccc(Br)cc1C(F)(F)F 1633872165 LCYFYYFEFYCMTC-OKILXGFUSA-N 433.268 4.739 30 10 IJEE C=CCC1(NC(=O)NCc2c(Br)cncc2Br)CCCCC1 1635489589 DLYLOJIZWFAJSB-UHFFFAOYSA-N 431.172 4.685 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC)(c2ccc(Cl)cc2)CC1 1635882174 KITFGAWYCFTFBU-HXUWFJFHSA-N 432.992 4.917 30 10 IJEE C=CCNc1ncc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)s1 1636699857 KHNJYWWQSNHFSV-HNNXBMFYSA-N 425.476 4.752 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc21 1637760716 HSLZXKFQHFRUGC-QFIPXVFZSA-N 429.520 4.713 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1639966052 GRORJVGFXJGCOI-NRFANRHFSA-N 442.581 4.765 30 10 IJEE N#Cc1cc2c(n(CC3CCC(C(F)(F)F)CC3)c1=O)CCN(Cc1ccccc1)C2 1641298042 HVLIVBZAJYKSIE-UHFFFAOYSA-N 429.486 4.647 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(C#N)c(Br)c2F)CC1 1642244004 HPZIUDKBMNAKPI-LBPRGKRZSA-N 426.330 4.589 30 10 IJEE CCCOc1ccc(CNC(=O)CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cc1 1643522742 CRVUPVHCEXBPHR-KRWDZBQOSA-N 433.474 4.525 30 10 IJEE CN(CC1CCN(c2ccc(C#N)c(Br)c2F)CC1)C(=O)OC(C)(C)C 1655114585 YDRDDGCSEKOQCK-UHFFFAOYSA-N 426.330 4.543 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCCCC2)ccc1Br 1659537586 FPGJJZYNWLAREN-FQEVSTJZSA-N 433.371 4.921 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(NC(=O)CC)c1 1662573658 LUCBWIWNILLCLF-UHFFFAOYSA-N 432.318 4.684 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)c1ccc(Cl)cc1F 1663868953 XHSHYYCCLXBDOK-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C1CC1 1668964605 HHDVBBJPJFZECZ-SFHVURJKSA-N 447.413 4.833 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 1669011572 JFMNBZVLYGKVKJ-OAQYLSRUSA-N 434.399 4.715 30 10 IJEE C=CC[C@H](CO)NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1669984483 RSKKDONDHQEQDF-OAHLLOKOSA-N 425.476 4.689 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1nc2ccc(I)cc2s1 1670488829 GQBCYMNRAIZVEG-GFCCVEGCSA-N 427.311 4.863 30 10 IJEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1673927200 GNMITOYFEBWXJU-FQEVSTJZSA-N 436.512 4.873 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 1674452159 FYFNREPAAXHRCO-MISYRCLQSA-N 439.581 4.982 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 1674497720 INUZSXZUCQKIKF-UHFFFAOYSA-N 427.998 4.889 30 10 IJEE C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CCN(Cc2ccccc2)C1 1677898456 BEWHNTPILAOSJJ-CVDCTZTESA-N 444.604 4.997 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CCOCC1)c1ccc(Br)cc1 1678827554 FXYQVRIANBFEOQ-RTWAWAEBSA-N 427.342 4.591 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1680716555 DLVHFGOWQUBDAX-AUSIDOKSSA-N 437.531 4.918 30 10 IJEE N#C[C@H]1CN(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CCN1Cc1ccccc1 1682605728 ALBHMKLIZUZCDM-QHCPKHFHSA-N 444.510 4.538 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1682828013 NOUYTMQQFVEWFB-KSSFIOAISA-N 425.932 4.536 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1)c1ccc(Cl)cc1F 1683688788 HOHQBAWNFZJJDZ-UZLBHIALSA-N 437.906 4.528 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1)c1ccc(Br)cc1 1686920480 YXDOHHDSIRRCEH-IFMALSPDSA-N 427.342 4.505 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1689876625 FTBDTJBLQGEMKD-WOJBJXKFSA-N 440.588 4.624 30 10 IJEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1690229292 SBBRRYXHWOFLIJ-SFHVURJKSA-N 445.405 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1C(C)C 1690241082 OIBZWMGOCWGWBG-AAIMPIBUSA-N 440.588 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690422381 NAMMDRSKRJGYQA-VQTJNVASSA-N 430.980 4.585 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCCCC1 1690449326 DHOWVNXSYBWNFO-QFIPXVFZSA-N 440.588 4.668 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H]1CCO[C@@H](C)C1 1690519857 AAVMBSMLPAUMTL-LSDHHAIUSA-N 437.357 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccn(CC)c1=O 1690586998 XMIAVMOVDFMDGC-UHFFFAOYSA-N 449.624 4.684 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1CCc1ccc(Br)cc1 1690609092 CRUFUNOQIBNIFO-UHFFFAOYSA-N 429.362 4.674 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C)CCCC2)C1 1690686024 IICCAPAHTQUYMD-OALUTQOASA-N 428.552 4.919 30 10 IJEE CCC[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1695047937 IDZCPGVEYHWQTO-FCHUYYIVSA-N 448.036 4.905 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1695998517 DCPXWRZLYWNNGH-AWEZNQCLSA-N 440.375 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CSCCS1 1705505897 PKJKUPIWKGUIMU-PBHICJAKSA-N 439.075 4.530 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705533461 NAUGKLAHQHUWNB-QFIPXVFZSA-N 440.563 4.623 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCSC1(C)C 1705547365 RJIQMQGFVGQSQN-SFHVURJKSA-N 437.638 4.978 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1CC 1705576116 GKOXFIKEXDLELM-PKOBYXMFSA-N 425.374 4.607 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)s1 1705653542 JYFFJPLIPZFHJM-KRWDZBQOSA-N 444.601 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCCN1CCCC 1705677708 YQRCTTUVHLDVTK-YIXXDRMTSA-N 449.643 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCSC1 1705698430 UHZSLLHLYVFQLS-MLNNCEHLSA-N 426.630 4.743 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F 1705733012 LOMRVJIJLJMGIG-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)[C@H]1C 1705733475 ORUKBTGOPKGFNT-HZPDHXFCSA-N 437.009 4.530 30 10 IJEE C=C(Cn1c(-c2ccc(Br)s2)nnc1N(C)CCOCC)c1ccccc1 1705742220 NOSBIGSWFFARLX-UHFFFAOYSA-N 447.402 4.955 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705801203 XCPZVGJGQMQOIZ-INIZCTEOSA-N 445.970 4.589 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1705872797 LHWXGQWWNOBOKZ-FQEVSTJZSA-N 443.567 4.812 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC(F)(F)CO1 1705879076 MCXXOIBQNPQQFH-IBGZPJMESA-N 448.901 4.851 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@H]1CSCCS1 1705880430 FRPNSANSHUYGIX-SFHVURJKSA-N 444.601 4.761 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1705941005 WCUFDBLSXLSRMY-IAGOWNOFSA-N 433.419 4.719 30 10 IJEE C=CCSCCn1c(COCC)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 1705948838 GYJWUSKQIDONPC-UHFFFAOYSA-N 425.602 4.599 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(OC)c(Br)c1 1708434318 DJUDVNFJUUJYAS-OAHLLOKOSA-N 446.393 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCCCCC2)nc1 1722282905 CFHJAHGNISTGEJ-IBGZPJMESA-N 449.002 4.880 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@@H](SC)C(C)(C)C)c1 1722306117 YGBJYBOYKCVFLB-FXAWDEMLSA-N 441.645 4.626 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](OC)C1 1722308109 GFOROOUUCKTMIL-AZUAARDMSA-N 430.980 4.717 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCCN1CCC[C@@H](C)C1 1722343939 FUOHGTSUCYBIHU-OFNKIYASSA-N 437.632 4.616 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCCCCC2)CC1 1722581916 HFXSFCUOKLXIRP-UHFFFAOYSA-N 437.632 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722590975 CYBWRRBQYLDQIP-UZINWLIJSA-N 438.616 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@H](C)CN1CCCC1 1722657251 WAGKIRPSBZPMTH-NRFANRHFSA-N 432.616 4.732 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCCCC1 1723772171 HQNXVAMAOQFESN-INIZCTEOSA-N 432.975 4.740 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCCC1(C)C 1740540388 JJKZNWKJRDTCFS-NIYFSFCBSA-N 448.567 4.516 30 10 IJEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1740579621 MCZMRYWDBCQXNC-UHFFFAOYSA-N 435.355 4.569 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740590467 FEHOSQLOBXSGRO-PXNSSMCTSA-N 439.337 4.581 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1740674474 IMVCACBIWALVJP-NVQXNPDNSA-N 438.616 4.962 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cc(C)no2)CC1 1740841563 QKGBEVJTQFKJHU-UHFFFAOYSA-N 435.572 4.902 30 10 IJEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)c1cccc(C)c1)C1CC1 1740912987 ZZPUGFKQLVWOIN-GOSISDBHSA-N 435.597 4.537 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1740921638 CLVGKFKEICBAKH-OAQYLSRUSA-N 448.514 4.860 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCOc1ccccc1F 1740944614 UTLZTLCKVKPVDL-UHFFFAOYSA-N 437.338 4.609 30 10 IJEE C=CCn1c(N2CC[C@@H](c3ccccc3C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949961 AVECVMDQAIYABB-AQNXPRMDSA-N 437.588 4.537 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H]2CC[C@H](SCC)C2)cc1 1740967241 AJYYDCXZCNPCRV-URVUXULASA-N 442.629 4.506 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](OC)c2ccc(Cl)cc2)C1 1740980594 QJIPIAZXNSSQNW-LEWJYISDSA-N 430.980 4.758 30 10 IJEE CC(C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1741308834 HERCYJJPPNHCFZ-FGZHOGPDSA-N 448.036 4.761 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCSC1 1741516042 FGKMNHGNAKAOLZ-GOSISDBHSA-N 441.601 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)(C)C 1748639543 JBEHWYBQSBXICT-ZWKOTPCHSA-N 432.996 4.961 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCCSC 1748703511 RLXCZKKLBKRPBK-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C#CCCCCn1c(N2CCC(c3ccccc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748726596 HXBIHVABODTVGO-AREMUKBSSA-N 436.600 4.506 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCC 1748938835 FQIWALNOJRXUKU-FQEVSTJZSA-N 446.064 4.948 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@H](C)C1 1749026766 PQBSGVACXVPTGC-IBGZPJMESA-N 442.629 4.734 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1749044891 WAVSIEXUPJCRJW-LJQANCHMSA-N 445.032 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCCC1(C)C 1749154086 LGMPBSLXMFYPRM-VWLOTQADSA-N 435.572 4.944 30 10 IJEE C=C(Cl)Cn1c(C2CC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1749265332 QMKZFMUSRWLRHO-UHFFFAOYSA-N 429.952 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)CC1 1749375349 ANSZXKXVIMVKDW-VWLOTQADSA-N 437.588 4.726 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1 1749392057 YOECWDRAVIMRGN-FPOVZHCZSA-N 427.568 4.588 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749406206 DOSFWVWQYDJOCK-UHFFFAOYSA-N 448.615 4.889 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(=O)OC)CC1 1749416138 ZJZQOALKXYNFIC-UHFFFAOYSA-N 428.602 4.631 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1CCC(OC)CC1 1749471064 IGYASZKMQXABAJ-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1749515228 SLIUGACDSODAQD-JKSUJKDBSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](F)c1ccc(Br)cc1)C1CC1 1749517471 OMGYYPJRYWXDRQ-VQIMIIECSA-N 449.368 4.800 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccccc1C 1749551069 QOKLRKYRZFPPOF-LJQANCHMSA-N 448.596 4.709 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC(C)(C)C1 1750791831 ACEUVKOYLGOMQS-UHFFFAOYSA-N 447.631 4.705 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OC(C)(C)C)CC1 1760135633 CRGQOLAFLUYLAT-UHFFFAOYSA-N 446.599 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760298971 BVDUGTHBWRZSRK-QEYAQHABSA-N 442.648 4.640 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1760342295 FWUAQELNXOENBY-UHFFFAOYSA-N 445.995 4.916 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1760348847 OCVCRFWWUBROER-OPBJCXLZSA-N 444.645 4.708 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCOC1 1760354263 UNTAQBLKWILQMX-MRXNPFEDSA-N 439.387 4.707 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NCCCC)C1)c1ccccc1 1760362782 VOBHAGRVBMINJS-QFIPXVFZSA-N 447.583 4.693 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760409478 WCYQHZBIVRSOBU-PKOBYXMFSA-N 445.558 4.822 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1760446824 DDHGTLADRLRGLB-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC1CCN(CCC)CC1 1760487954 IFBODCKTSCAJAS-OAQYLSRUSA-N 429.634 4.506 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[C@@H]2CC)C1 1760537435 NXRHTCFWWKLROI-CEWLAPEOSA-N 440.588 4.570 30 10 IJEE CCCCn1c(O)c(N=Nc2ccc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O 1772740997 PUGHEQBXDNUWNT-UHFFFAOYSA-N 434.250 4.620 30 10 IJEE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746689 CZHWJWRSCVXURE-UHFFFAOYSA-N 448.435 4.630 30 10 IJEE Cc1sc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(C)cc2=O)c(C#N)c1C 1859647424 OJIQFVYIHVGBFM-UHFFFAOYSA-N 433.320 4.650 30 10 IJEE CCOc1cc(OCC)cc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)c1 1859763768 UNTBTIXJGCDJIX-UHFFFAOYSA-N 441.491 4.650 30 10 IJEE N#Cc1ccccc1NC(=O)Cc1ccc(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 1860907547 SOTKSDATSQNGQG-UHFFFAOYSA-N 434.839 4.553 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862439233 XLCPCKZJYSIYOF-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862445999 IQMLZOJDPICUEC-LJQANCHMSA-N 434.319 4.734 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(F)c2)c1 1862555968 MBFDWCZTFWEGJY-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1c(F)cccc1Cl 1862573598 GOSXOXWZZYDKLO-ODXCJYRJSA-N 447.890 4.873 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC 1862573985 LCLWWWSBCWCKMK-QFIPXVFZSA-N 437.536 4.988 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(F)c1 1862582183 YCWBAKAPNCYVPU-SFHVURJKSA-N 438.282 4.747 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1F)c1cccc(O)c1 1862590480 JRXQOTOAKOTCNE-HSZRJFAPSA-N 431.463 4.742 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862591538 IWKJHJJWADJIRR-HJPURHCSSA-N 429.472 4.740 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc2ccccc12)c1cccc(O)c1 1862593003 OGWJDPFACSVKIK-XMMPIXPASA-N 436.467 4.719 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862622194 GLUPCSJDJPQCHB-IBGZPJMESA-N 448.346 4.862 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC(C)C)cc1 1862754499 MLIRGNHUOODJKS-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE CCCOc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862926003 QDFIDYRPRXBUOM-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863129336 IQDRCDOILUASDA-UHFFFAOYSA-N 432.483 4.999 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863269722 QDUBVNVLTITHDI-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3ccc(F)cc3)C2=O)ccc1F 1863460722 BAXRVMDGWRPFDE-UHFFFAOYSA-N 443.453 4.580 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(OCC)cc2)C1=O 1863569136 ICACCLAKCXCMCC-UHFFFAOYSA-N 435.568 4.711 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc(C(C)(C)C)cc2)cc1 1870144883 MQGHOERXTIAROS-UHFFFAOYSA-N 431.540 4.797 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CN(C)C 1870753076 GUPZLBZHTIVDKK-UHFFFAOYSA-N 441.616 4.905 30 10 IJEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc(OC)cc2)cc1=O 1870838254 VWARSIAXYQCUEM-UHFFFAOYSA-N 430.589 4.981 30 10 IJEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@@H]1CCO 1871396052 KJGCQIKEVBUVAR-LQFJMUIISA-N 431.891 4.538 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O 1871433613 NETFWRPCBQQUML-UUMRFZBWSA-N 440.492 4.739 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871442000 VEGARWYFEAZVOU-FMCGGJTJSA-N 429.472 4.946 30 10 IJEE CCOC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871443475 SDDUMMGWZCVFRY-BKUYFWCQSA-N 449.484 4.559 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)CCCC 1871798218 NUSUSGMHCUTAQV-IBGZPJMESA-N 447.066 4.717 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1872090382 NCMHFUDEIXZEPK-JOCHJYFZSA-N 440.590 4.867 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)n2CCCC 1873612849 MSLPAGFXEXDNGA-UHFFFAOYSA-N 428.880 4.643 30 10 IJEE C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1873870457 TXXDPNZXOKGEDM-SJSVFJFWSA-N 444.531 4.868 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cc(OC)ccc1OC 1874300293 NALIXJPASDWNAH-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874333088 GUNCYCPXXVPOSH-WGLQLPMYSA-N 447.608 4.739 30 10 IJEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccn2C)cc1 1874352613 SPOKZXLFWZOFDW-MFKUBSTISA-N 431.565 4.816 30 10 IJEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(O)cc2O)cc1 1874389975 OKMPOLPWHALCLB-YZSQISJMSA-N 444.560 4.806 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCO)cc1OC 1874409870 QOXBXJFDJSHABV-JJIBRWJFSA-N 446.617 4.555 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1cccc(F)c1 1874476135 DPVBTIPUAXDVQU-MFKUBSTISA-N 439.560 4.935 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccc(C)c1 1874479008 DBBZQZSWWDAJTE-ZVHZXABRSA-N 432.553 4.752 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2O)cc1C 1874483353 RFHBHCHIJKFLOR-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cn(C)c2ccccc12 1874521924 SIQXOIWPVZMLMK-DHRITJCHSA-N 446.580 4.562 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)c(C)c1 1874523487 RWQPMSKNWCMUPM-LGJNPRDNSA-N 444.564 4.867 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(Br)c1 1874524718 CBBLSSFOIBWIJB-RGVLZGJSSA-N 446.330 4.686 30 10 IJEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(OC)c(F)c3)cccc2OC)o1 1874582534 SGYBPZZTZUFHQV-JXMROGBWSA-N 440.423 4.698 30 10 IJEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875087645 DVGZALIFMGMHDU-PKNBQFBNSA-N 432.388 4.927 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1C 1875107157 CUWKIBVLFFMYHU-VQHVLOKHSA-N 433.460 4.531 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875117987 ZIARFKHUKWJKBQ-SYZQJQIISA-N 431.400 4.635 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 1875165822 ASHUKOGHWCZVIY-GQCTYLIASA-N 439.291 4.849 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(C(F)(F)F)cc3)ccc21 1890517945 KOBMDHXUJFUPSV-UHFFFAOYSA-N 432.442 4.824 30 10 IJEE CC(C)c1cc(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)c2cc(F)ccc2n1 1891282079 ITPWLIRIUFELPO-SFHVURJKSA-N 432.499 4.695 30 10 IJEE Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc(C5(C#N)CC5)cc4)CC3)nc12 1891328337 HXXDSRSDFODSHS-UHFFFAOYSA-N 436.968 4.776 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC1CC1 1984690935 RSWFMKINEKZEFU-VWLOTQADSA-N 445.563 4.702 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997460714 HWKLQWDETKSGSN-ZEQKJWHPSA-N 426.601 4.612 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N 2010515011 GTWAFOXLYPRSDO-LJQANCHMSA-N 443.931 4.650 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 2032368305 ITYGRSAGYZQZEV-XLIONFOSSA-N 445.560 4.976 30 10 IJEE C=CCC1([C@H](N)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047966609 AHOKLJITRSBWAX-MRXNPFEDSA-N 429.786 4.786 30 10 IJEE C=C(c1ccccc1)[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076578608 NRYDSZNMFAAWPY-XMMPIXPASA-N 435.612 4.847 30 10 IJEE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2(C)CC2)c(I)c1C#N 2079944650 UOBNWQZUOIVPRY-KRWDZBQOSA-N 435.309 4.634 30 10 IJEE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079970708 WMMZTOANKAHWBX-GOSISDBHSA-N 433.293 4.559 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2ccc(C(F)(F)F)c(F)c2)c1I 2080793432 MKAXDWBRNXTTTF-UHFFFAOYSA-N 438.084 4.868 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNc1cc(Br)cc(F)c1C#N 2107446326 YOSUOQCEHMQVHY-OLZOCXBDSA-N 426.330 4.765 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1Nc1cc(Br)cc(F)c1C#N 2107451195 TYTXBXNZICFUKG-PBKGOJFUSA-N 426.330 4.763 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(C#N)c(Br)c3F)[C@H]2C1 2162340764 CHWJTPKXMZNKHO-KKUMJFAQSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Nc1ccc(C#N)c(Br)c1F)C2 2193302944 MQMLHCQQBYTUGR-PCBIJLKTSA-N 442.304 4.750 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1cccc(Cl)c1 2212504594 XDCCKYLSDWMDMS-VGOFRKELSA-N 427.928 4.759 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1cc(CNC(=O)OC(C)(C)C)cs1 2227504994 JFTCUTXGLIATHF-KRWDZBQOSA-N 435.387 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@H](O)C#Cc3ccccc3Br)ccc21 2235739351 HLKFVGLTCJQAOG-HXUWFJFHSA-N 428.326 4.832 30 10 IJEE C=C(COCc1ccccc1)[C@](CN(C)C(=O)OC(C)(C)C)(OCC(=O)O)C(C)(C)C 2252120902 GKUBCHXEAZMZLD-DEOSSOPVSA-N 435.561 4.512 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(Br)cc1Cl 2252870621 ODHAAJWDUQGDDU-LBPRGKRZSA-N 436.133 4.611 30 10 IJEE Cc1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc(C)c1C#N 2254634133 MRVDYJQCWHENQO-GCJKJVERSA-N 437.540 4.612 30 10 IJEE CC1(C)OB(c2nscc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2255666685 XNGBOKMCXBEFIV-UHFFFAOYSA-N 440.418 4.665 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2261825325 CBHUBFUVJAVXHG-RTBURBONSA-N 447.572 4.512 30 10 IJEE C=CCCC1([C@@H](N)Cc2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266305828 QWAHTTOKSYYKJU-KRWDZBQOSA-N 427.358 4.661 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268639130 MTTRXIOGGMQZEP-QGZVFWFLSA-N 446.328 4.623 30 10 IJEE CCN[C@H](C#CC1CCCC1)c1ccc(Br)cc1I 2273964106 DYBCNOQYBMYXTH-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CC(C)[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)cc2Br)CCN1C(=O)OC(C)(C)C 2279441435 FSCLJMZWZJKEKS-WMLDXEAASA-N 436.350 4.541 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3cccc(Cl)c3Br)c2)OC1(C)C 2283195778 WVUIRCPRKZLWLP-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CC1(C)C[C@](C#Cc2ccccc2Br)(OCCN)[C@H]1OCc1ccccc1 2292593977 TTYDCCQWXRVSHJ-GMAHTHKFSA-N 428.370 4.530 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2296219902 SNFFIFBDBBELDY-RTBURBONSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2296271272 CQOOGZADMWVPPV-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2C(=O)C#Cc1ccc(Br)cc1 2296274337 UCWSSCBNPPLWHH-QRVBRYPASA-N 432.358 4.795 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@@H](N)C#Cc1cccc(Br)c1 2296279477 PFNYZGJFWJXNKW-SFHVURJKSA-N 431.330 4.856 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2296279566 QHOUXMYJDAKJPJ-YZGWKJHDSA-N 435.406 4.862 30 10 IJEE C=CCN(Cc1ccccc1)C1(C(=O)O)CCC2(CCCN2C(=O)OC(C)(C)C)CC1 2304530904 ADAPWMFIBKUZKX-UHFFFAOYSA-N 428.573 4.842 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C12CCC2 2305320770 XOVVZKDQMJNKTP-NBGIEHNGSA-N 428.573 4.603 30 10 IJEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cc(OC)c(OC)cc1OC)C3=O 2322092265 OVQADTKVYSMWEZ-HNNXBMFYSA-N 439.508 4.587 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccco2)c1 2323332315 XVQRNJWQIVZPHP-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE Cc1cc(O)c(CN2CCC(CO)CC2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324178600 GAEGKJWISGARNS-UHFFFAOYSA-N 448.346 4.828 30 10 IJEE COc1cc(Br)cc(C=Nn2cnnc2SCc2cc(C)ccc2C)c1O 2325655483 JEIOFHDSZRSBTC-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)C=Cc1cccc(Br)c1 2329602943 WBCKLQNBSSLRNW-UHFFFAOYSA-N 425.261 4.512 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1O 2331017310 YPBVTPAAQCIZGC-SFHVURJKSA-N 448.907 4.508 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccncc1 2331046392 OQLPIVRUVGFRNF-UHFFFAOYSA-N 444.443 4.842 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2sccc2C)c1 2331493452 LZQPUPKPDTVDNW-UHFFFAOYSA-N 425.583 4.837 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(COC)nnc2SCc2ccc(F)cc2)cc1 2331555686 GPWIGMNBKGLFMB-UHFFFAOYSA-N 427.549 4.584 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cnccn2)c(Cl)c1 2331876867 UOHSOQZGPYZHCS-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)cc1 2332148723 CDRHAEDJNKGHQL-UHFFFAOYSA-N 433.515 4.940 30 10 IJEE CC[C@@](C)(CNCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1)N(C)Cc1ccccc1 2343650936 FRUDOPFEQNLHAD-MHZLTWQESA-N 436.449 4.685 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2358672061 RIJCJVOUILMNDI-HBFSDRIKSA-N 435.406 4.862 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CCN(Cc3ccccc3)C3(CCC3)C2)n1 2362160217 PKCRTFAVOROYKO-QHCPKHFHSA-N 447.432 4.688 30 10 IJEE CN[C@@H](C#C[C@@H]1CC1(C)C)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2365093807 QGYYZADJKLSFGS-NEWSRXKRSA-N 435.406 4.522 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1OC 2365241254 NWJRKFMFRSECPC-QZTJIDSGSA-N 439.394 4.723 30 10 IJEE Cc1cc(CNC[C@@]2(C)CN(Cc3ccccc3)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369617157 YHLQPSICIKJQFY-DWACAAAGSA-N 448.460 4.542 30 10 IJEE CCOC(=O)[C@H](Oc1ccc2c(c1)O/C(=C/c1ccc(OC)cc1)C2=O)c1ccccc1 2098813 YFUMDNDXHJZYNE-XSZPGNIMSA-N 430.456 4.995 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](CO)C(C)(C)O)C[C@@H](O)C[C@@H]1O 3920362 UHMSHZFVGABXAS-KIAAZJKISA-N 444.656 4.699 30 10 IJEE CC[C@H](Sc1ncnc2scc(-c3ccc(C)cc3)c12)C(=O)Nc1c(C#N)cnn1C 16893711 BGFNVOGIQQTJLO-KRWDZBQOSA-N 448.577 4.781 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 35443476 FMGKBGRYBGLTET-NSXGMPHASA-N 432.564 4.524 30 10 IJEE C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 36308557 XTRRDLDKKKWJIB-HSZRJFAPSA-N 435.568 4.749 30 10 IJEE Cc1cc(C)c2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n(CCc4ccccc4)c3O)oc2c1 38620212 OEBDCASUDXUDTG-UHFFFAOYSA-N 440.499 4.879 30 10 IJEE Cc1c(/N=N/c2ccc([N+](=O)[O-])cc2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 39871467 FRNWPGHRAALMSK-OCOZRVBESA-N 437.843 4.954 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 63403368 NAGDWHQQEXBRFW-UHFFFAOYSA-N 443.931 4.694 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@H]3c3ccccc3)sc2c1 103088702 JPFKERHAONOHLX-GOBJLOIFSA-N 446.484 4.914 30 10 IJEE COc1ccc([C@@H]2/C(=C(O)\C=C/c3ccccc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 103117856 NDBNRVXRKGIGMS-DJMGBJAHSA-N 441.483 4.886 30 10 IJEE N#Cc1ccc(NCc2ncc(Br)cc2Br)c(Br)c1 135288451 PGBLGXMUOVSIRV-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE COc1cccc(-c2csc(N/N=C\c3cc(OC)c(OC(C)C)c([N+](=O)[O-])c3)n2)c1 169940960 GIKLFBBQRXRMRL-JJFYIABZSA-N 442.497 4.969 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)cc1 169994598 WRJXHHJPKLTIOL-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccn1)c1c[nH]c2ccccc12 169998297 JYBSKZIKYJOCFI-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(O)cc1 170131363 FXYMURACWBDSKA-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)cc1C 170170286 PKDBMEOUQUCQNV-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3ccccn3)ccc2O1 170174080 KUEYWFXPGLGIIT-FPTDNZKUSA-N 446.890 4.841 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)c1 170202183 GJWXISMZIGTRMJ-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1 170203771 GMCGSIKMAURWEI-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170208200 MZXWRDDENANQQU-HXUWFJFHSA-N 434.835 4.853 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(O)c(Cl)c1 170219857 XPLSMUKWTVROAY-LRTDBIEQSA-N 441.911 4.747 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170291161 POEODGWFLXONNL-QFIPXVFZSA-N 429.428 4.813 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)o2)c1 170304624 OKIQCTYYYAQFCN-NPMXOYFQSA-N 445.471 4.708 30 10 IJEE CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Br)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 206214243 ZNELXLYMMBIRSK-CZZSXQRJSA-N 449.385 4.908 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1C12CC3CC(CC(C3)C1)C2 253579506 ZSKJGSDJQJLZJN-UHFFFAOYSA-N 433.581 4.534 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 439566979 DPEWCXNXIKXMPP-QGZVFWFLSA-N 448.548 4.756 30 10 IJEE COc1cc(CN(C)Cc2cn(C)nc2C(F)(F)F)ccc1OCc1cccc(C#N)c1 441629768 BMDZTLDPFGNDCK-UHFFFAOYSA-N 444.457 4.530 30 10 IJEE C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 508847270 KBPGLVWTEPYJKT-GOTSBHOMSA-N 444.579 4.963 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508915033 VXZWCMVOGJRANJ-INIZCTEOSA-N 436.585 4.813 30 10 IJEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 508923605 VVBDIBLYKVPBAD-LJQANCHMSA-N 448.596 4.879 30 10 IJEE C=CCN(C(=O)c1csc(-c2c(F)cccc2F)n1)c1nc(C(=O)OCC)cs1 510431968 YFBSUEJBFBGJHP-UHFFFAOYSA-N 435.477 4.554 30 10 IJEE CCCCN(C(=O)[C@@H](C)n1cnc(C#N)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 537301386 FQKXXDYAGTYUBA-GFCCVEGCSA-N 449.367 4.974 30 10 IJEE CCOC(=O)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 586213039 MYMLDAHQQRSTQU-UHFFFAOYSA-N 448.544 4.747 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1cccc(C)c1 586315006 SHVMYPZUNWVDHC-UHFFFAOYSA-N 440.908 4.564 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)SC1=Nc1cccc(C(F)(F)F)c1 725410500 AIYROJRKXMIVEF-OAHLLOKOSA-N 441.862 4.949 30 10 IJEE CCOC(=O)c1ccc(N=Cc2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 1084215366 CAVXMBQVERZEHC-UHFFFAOYSA-N 433.460 4.900 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(-c2cccc(F)c2)n1 1125672441 MDGACMKMWXHFTQ-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE C#CCN(C(=O)c1cccc2c1OC(C)(C)C2)[C@H]1CCOc2ccc(Br)cc21 1126152091 XIJTYWHJLTXAJK-IBGZPJMESA-N 440.337 4.762 30 10 IJEE C#CCN(C(=O)c1c(F)c(F)cc(F)c1F)[C@H]1CCOc2ccc(Br)cc21 1126229942 UDKKIEXHGXAVHU-AWEZNQCLSA-N 442.206 4.605 30 10 IJEE CC(=O)N[C@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(C)(C)C 1126626743 GTTUWULCDPEMJX-LJQANCHMSA-N 433.430 4.859 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 1128305053 KILKHYJVKSNHTG-KRWDZBQOSA-N 427.342 4.868 30 10 IJEE C=CCn1c(SCC(=O)N(C)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 1130770903 VHJZZAFGEFVBAD-UHFFFAOYSA-N 428.945 4.548 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@]2(O)CCCc3ccccc32)c1 1136776475 HQDQZLWNCWZCHH-RUZDIDTESA-N 432.907 4.958 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 1141919965 GDUYJZTZROQWSI-IBGZPJMESA-N 449.979 4.677 30 10 IJEE C=CCn1c(SCC(=O)Nc2nccn2C2CC2)nnc1-c1ccc(Cl)cc1Cl 1161585784 GXYPBFZDMOWNRE-UHFFFAOYSA-N 449.367 4.700 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N[C@H](c2cccs2)C2(CO)CCC2)c1 1163484372 BSLGYEHGCZKJRZ-HSZRJFAPSA-N 432.545 4.832 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccco2)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 1188244697 YQDDTGVOHKXPEI-XWSJACJDSA-N 426.586 4.828 30 10 IJEE COc1ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1Cc1ccccc1 1197229533 BAWJHIYHDZRXKH-UHFFFAOYSA-N 440.547 4.948 30 10 IJEE C=CCN1CC[C@H](N(C)Cc2cc(F)ccc2Oc2ccc(Br)cc2)C1=O 1197920219 AHPJIIXCCIPGDB-IBGZPJMESA-N 433.321 4.599 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)c1ccc(Br)cc1 1216250638 WFJRNDPHPIBTHX-AWEZNQCLSA-N 427.220 4.728 30 10 IJEE CCN(C)C(=O)[C@@H](NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(C)C 1219255819 CNPYUEOLVDFWLG-ZDUSSCGKSA-N 445.379 4.600 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(Br)cc1F)c1ccc(Cl)cc1F 1230511334 QXLPYMAIGVLBJC-QGZVFWFLSA-N 427.676 4.897 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1255385178 HEEZWESFZGSBPZ-UHFFFAOYSA-N 443.320 4.672 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)CCCN1C(=O)OC(C)(C)C 1264884238 VIVDGSZLQFDJRL-XMMPIXPASA-N 438.528 4.592 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(OCCCOC)c1 1264905942 SROXRFYOUYWQGQ-UHFFFAOYSA-N 436.321 4.832 30 10 IJEE C=CCC[C@H](NC(=O)Cc1ccccc1S(=O)(=O)CC)c1ccc(C(F)(F)F)cc1 1266463802 XNJXCXNIEPGUJL-IBGZPJMESA-N 439.499 4.865 30 10 IJEE C=C(C)[C@@H](NC(=O)/C=C/c1ccc(I)o1)c1ccc(F)c(F)c1 1269600539 UAIRQBGHOFOGDT-ZGRWHYIRSA-N 429.204 4.609 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCOC2(CCCCCC2)C1 1286357512 KNIVFVAVHQSEQC-UHFFFAOYSA-N 436.600 4.763 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCN(CC)C1 1286569329 MRLKLODLXNDTOZ-GOSISDBHSA-N 446.437 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1286571040 HIRRCIGKBBDWBB-QFIPXVFZSA-N 434.588 4.521 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCN(CC)CC2CC2)CC1 1286591257 JPXUDHIZOXXOIE-UHFFFAOYSA-N 432.616 4.731 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2c(C)sc(C)c2Br)CC1 1286644298 QRZMZFOSAOBRMK-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1286666726 LFQYSTRLXZYWOX-MRXNPFEDSA-N 432.638 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(C)(OC)C1 1286668980 XAVVTPHXKNGBTA-UHFFFAOYSA-N 428.577 4.568 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)CN1CCCC1)C1CC1 1286734139 PCCDHFATEDWRSH-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCCN1CCCC[C@H]1C 1286753562 FXPWXVNDRFYPLF-OAQYLSRUSA-N 430.600 4.936 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC1(OC)CCCC1 1286763216 GEDLBFHUKLTXQX-UHFFFAOYSA-N 441.963 4.781 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCC2(C)C)C1 1286805135 RBRQGQZOVCKPSN-WBVHZDCISA-N 448.409 4.643 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1286832376 SGEQLPLEDKKPCX-QFIPXVFZSA-N 441.689 4.887 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H](C)C2)c1 1290333037 FHVRGNRYSIQWHZ-GOSISDBHSA-N 434.613 4.555 30 10 IJEE CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NCc1ccc(C#N)c(F)c1 1299371999 GOBPWGYOZVLOPD-HXUWFJFHSA-N 425.504 4.606 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cc(C(C)(C)C)no1 1300449753 WYMYHYHZOIIUOA-UHFFFAOYSA-N 435.572 4.773 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1N(C)CCCC1(C)C 1300602176 OTEYFZNEMVHFAE-WIYYLYMNSA-N 444.023 4.651 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCCC1(C)C 1300897231 PLTULJYFNIKJGZ-AUSIDOKSSA-N 440.588 4.616 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300928626 JULZAPXHMOXVGT-FPOVZHCZSA-N 434.588 4.858 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(OC)CCCCC2)CC1 1301063583 FGQXWYRRXUVSRU-UHFFFAOYSA-N 437.588 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CC(=C)C 1301139214 NRJYNLSLOGMTDH-UHFFFAOYSA-N 444.649 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC2(CCOCC2)C1 1301160467 SFRYZVROJHRYGQ-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(C)C)C1 1301175765 HQFKDBPRGYECQX-FQEVSTJZSA-N 430.618 4.577 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 1301261078 BBYKHJKXLAPSDY-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1)C(C)C 1301368001 WSSRGERIWLNLEG-GOTSBHOMSA-N 443.680 4.886 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cccc(OCC(=O)N3CCCC3)c2)cc1OC 1308288593 BGGSCPRZPVQHLC-UHFFFAOYSA-N 430.932 4.527 30 10 IJEE Cc1cc(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)ccc1C#N 1309012483 BMOOVOUOCPKZIP-UHFFFAOYSA-N 442.544 4.540 30 10 IJEE C=CC[C@H]1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)C1 1309708217 JJSIAHWJVATKIM-AWEZNQCLSA-N 440.334 4.967 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2ccnc(C#N)c2)c2ccccc2)cc1Br 1311071691 ARWKSUOJHQYJIK-FQEVSTJZSA-N 437.297 4.635 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1 1312335018 XIDRLIPJFKFPJP-LAUBAEHRSA-N 449.364 4.746 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)cc1 1351101505 CHVNOMFSJKWGTM-OAQYLSRUSA-N 443.588 4.652 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(C)sc3c2)c(C(=O)OCC)c1C 1352793777 WJXVBQRDMQZGNP-UHFFFAOYSA-N 444.534 4.746 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OC)c(OCCOC)c1 1354378635 JIDVFNBNQAYYSV-UHFFFAOYSA-N 425.403 4.556 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1355026929 FZSYHSIADSCHOB-UHFFFAOYSA-N 430.595 4.782 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O 1356378088 NGJASHOEWYTUQE-UHFFFAOYSA-N 428.879 4.857 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)C2)c(F)c1 1358061536 GGVVISINWUSAAW-RDPSFJRHSA-N 449.476 4.902 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)c1ccccc1 1358372763 OEGCKROHOBOOID-XMMPIXPASA-N 445.563 4.579 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCOCC2(CCC2)C1 1358909255 YVAXBQCVMGNXKR-UHFFFAOYSA-N 443.389 4.518 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1358934769 MMHUJVJTIOFSNC-YWZLYKJASA-N 449.382 4.581 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1nnc2n1CCCCC2 1359107261 HVSNPULSERAYKP-OAQYLSRUSA-N 433.604 4.589 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@]2(CC=CCC2)C1 1359135225 WLVWHKGYMLLOBM-AREMUKBSSA-N 436.600 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1359187625 RPUVLRJKTSGIFP-GOSISDBHSA-N 434.588 4.684 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359214922 PNPYRISGPAWFMP-AABGKKOBSA-N 447.624 4.616 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1359232048 LQULFXOMZJGAHZ-QHCPKHFHSA-N 430.600 4.876 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC(c2nc3ccccc3o2)CC1)C(C)C 1359264999 VUHOYUXGIIWOOF-HSZRJFAPSA-N 448.615 4.810 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(C)CCCS2)C1 1359313942 UBJQWGFROVAQTJ-PNCHPQGNSA-N 446.592 4.624 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1OC 1435606540 DWXAMQMQCDFTPL-IFMUVIIVSA-N 431.536 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)cc2F)[C@@H](c2cccc(Cl)c2)C1 1436020731 DIPSYXKCGRNRQT-HXUWFJFHSA-N 443.906 4.785 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c(OC)c1 1436452812 XKOQAFSPGLDLRB-ZHRRBRCNSA-N 449.469 4.810 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccccc1OC 1443758152 DJXXCKWJRNJQHO-PZJWPPBQSA-N 444.959 4.937 30 10 IJEE C=CC[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccccc1 1456658443 XNDWOGFZXFQZMV-QHCPKHFHSA-N 426.582 4.938 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OCC)c3cccnc23)CCCN1C(=O)OC(C)(C)C 1458762385 VXCZSGOCNWDZRT-DEOSSOPVSA-N 425.529 4.918 30 10 IJEE CCc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CC[C@](F)(C#N)C3)n2)cc1 1459948911 GAOAVVJXPHYOGC-QPPBQGQZSA-N 434.540 4.990 30 10 IJEE C=C[C@@H](OC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1)c1ccccc1 1461541412 MGEZUEDNIKPZLI-JOCHJYFZSA-N 447.487 4.805 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 1465779446 IJFKTDNYVVDUQR-UHFFFAOYSA-N 429.904 4.979 30 10 IJEE CCCc1c(NC(=O)NC[C@H](C)Oc2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 1466215452 BXQFDJBPDPBTPY-INIZCTEOSA-N 437.931 4.939 30 10 IJEE COc1ccc([C@@H](CNC(=O)Nc2scc(C(C)(C)C)c2C#N)N2CCCC2)cc1 1466646426 CIGRUDJQJZZLCF-HXUWFJFHSA-N 426.586 4.884 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1470490876 RJIJXCDQOXUWMS-FYYLOGMGSA-N 432.486 4.894 30 10 IJEE C=CC[C@H](Sc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1)C(=O)OC 1472952671 DYALXFJKISZAPO-IBGZPJMESA-N 430.574 4.614 30 10 IJEE CSc1cccc([C@@H](NS(=O)(=O)c2ccccc2C#N)c2ccc(F)c(F)c2)c1 1475037616 FHEFGWOYCNMOFG-OAQYLSRUSA-N 430.501 4.626 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)C1CSC1 1476047328 DRAIQJOCLPWFBU-UHFFFAOYSA-N 447.482 4.849 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCN2C2CCCCC2)cc1 1497836029 GOLMELNINOVQHJ-YKSBVNFPSA-N 434.632 4.900 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CCC1)C1CCCC1 1501661595 CLFBUTUTXQOGHF-UHFFFAOYSA-N 425.602 4.783 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@@H](C)C2)cs1 1503921976 GLIURSSATMMZHF-YESZJQIVSA-N 436.585 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1cccnc1)C(C)C 1507528769 NRMODZAONVHTSH-DENIHFKCSA-N 426.568 4.730 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(CC)s1 1507664277 KCDLDIRXIKVLBR-UHFFFAOYSA-N 426.948 4.873 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H](c1cccnc1)C(C)C 1507708770 MTAAEGJMPPXZQJ-NRFANRHFSA-N 437.975 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(OC)C1CC1 1507764327 NICVKLOGSCCNSE-WOJBJXKFSA-N 449.418 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(CCc1ccc(F)cc1)C1CC1 1507794855 AUPUGEQUCNJZIG-RDPSFJRHSA-N 426.580 4.808 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(F)cc1C 1507826546 SDXRKIALSVPXJD-UHFFFAOYSA-N 432.547 4.609 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C)=C(Br)C1 1507833902 MRCNDRRGZYPHGQ-UHFFFAOYSA-N 437.769 4.966 30 10 IJEE C=C(Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CCSC)c1ccccc1 1507850782 BFVBCKJTJOTAPU-FQEVSTJZSA-N 446.624 4.808 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CCCN(C(C)(C)C)CC1)c1ccccc1 1507851790 XPYDMYAYFHZNID-UHFFFAOYSA-N 435.641 4.954 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1507904306 MGHUELSFHIBZNK-JYFHCDHNSA-N 438.616 4.822 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC=C(Br)C1 1507925835 JMPYBFWLWFSYCW-UHFFFAOYSA-N 445.361 4.562 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(C)=O)C1 1507925849 KAJNNCQFKNRQBC-QGZVFWFLSA-N 436.387 4.713 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1507949783 LGJOQTQSXGJFOX-FQEVSTJZSA-N 439.510 4.556 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1507989692 DCGGLPVHIMMCTG-APWZRJJASA-N 441.576 4.647 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1CCCCn1cc(Br)cn1)C1CC1 1507993663 NCCYVMASVWSAJE-UHFFFAOYSA-N 433.398 4.530 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@@H]1OC 1508012433 WGJUDIHBOAQXAD-KXBFYZLASA-N 449.368 4.840 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC1(SC)CC1 1508029118 YGLJDXJVTHCENN-UHFFFAOYSA-N 429.977 4.717 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](OC)C(C)(C)C 1508038588 UOUCKTNMJKEGMT-UTKZUKDTSA-N 446.661 4.831 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1508104553 JIPKYLYMDICDKN-QGZVFWFLSA-N 431.462 4.665 30 10 IJEE C#CCOc1ccc(C(=O)O[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1514717773 YADCIJVMCDAAGT-NRFANRHFSA-N 428.410 4.962 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cc(Cl)cc2c1OCC2 1520236047 FYMZWMPXTMZYLR-UHFFFAOYSA-N 438.724 4.934 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCc2ccc(Br)cc2F)cc1OC 1521285245 LYCRXEIWHAHWIA-WEVVVXLNSA-N 434.305 4.534 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1527046388 GCTJMPDATKYHCC-QFIPXVFZSA-N 430.936 4.810 30 10 IJEE C#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1528082007 SJOOBGYWSRNDPL-IKGGRYGDSA-N 438.243 4.942 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 1528209366 LIFKPRLSKALBPN-UHFFFAOYSA-N 431.454 4.815 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccnn1CCc1ccccc1 1528415852 MUUBAOSGNWSSPS-UHFFFAOYSA-N 426.314 4.705 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1coc(CCC)n1)c1ccc2c(c1)OCCO2 1530677900 KYTOSJWNHHEQBJ-UHFFFAOYSA-N 434.492 4.810 30 10 IJEE CCC1(c2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1531691531 GJPBRUXAMFCGAK-LJQANCHMSA-N 435.955 4.535 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2ccn(-c3cc(F)cc(F)c3)n2)n(-c2ccc(C#N)cc2)n1 1532370815 BAQKIBOQJQIUAK-UHFFFAOYSA-N 446.461 4.758 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c1 1535543695 AUSPTBGCYBMMJL-KRWDZBQOSA-N 426.885 4.959 30 10 IJEE C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Sc3ccc(Cl)cc3C#N)cc1)CS2 1536513590 FRSWEGRAMOIAKB-UWJYYQICSA-N 443.981 4.755 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 1539197455 IHWCLDUHLBSWAP-UHFFFAOYSA-N 434.901 4.988 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(C)CC(C)C 1539578930 FUMQBENIBVHTPT-INIZCTEOSA-N 437.382 4.818 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC(F)F 1539618884 BPCFINNRVQKFSN-VGOFRKELSA-N 441.526 4.874 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C(=O)OC)C1 1539953813 NHARXMYYMTTZDU-SFHVURJKSA-N 428.602 4.631 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(F)cc(F)cc2C1 1539980887 AYCOIOQNZKKOMO-UHFFFAOYSA-N 448.315 4.843 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC(=O)NC)CC1 1539989554 XYUGZVRAWAIRAI-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1540029315 PMNZMQOCIVBXJT-XXBNENTESA-N 438.616 4.839 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCSC1(C)C 1540048568 YRFHTQXMSPNBCQ-QZTJIDSGSA-N 430.618 4.971 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1540048775 BENGHIYUZSUAEW-ZCNNSNEGSA-N 443.611 4.936 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccnc1Oc1cccc(F)c1 1540819442 CXXFQUSMTKIMGS-UHFFFAOYSA-N 444.466 4.694 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(CSC)cc2)C1 1540893602 GYQPJYAVKQGHPL-NRFANRHFSA-N 440.638 4.623 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540910503 IJCKGUSRAWZQJM-XJKSGUPXSA-N 446.926 4.674 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2c(C)nc3ccc(Br)cn23)C(F)(F)F)cc1 1544661597 QJOVBXOHPXXESP-QGZVFWFLSA-N 437.215 4.847 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1sc(C)nc1C 1545740848 FEPIFQVSRRUYOI-XXBNENTESA-N 438.576 4.578 30 10 IJEE Cc1cc(CN(C)c2ncc(C#N)cc2Br)cc(C)c1OCC(F)(F)F 1559076583 GJASYWQXWTUWPQ-UHFFFAOYSA-N 428.252 4.910 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 1564684265 FIARCKNHHLYKSS-PXNSSMCTSA-N 429.351 4.821 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](C)c2ccc(Br)cc2)cc1OC 1585444407 BQLHGNRGNPLONS-NCALTVRCSA-N 430.342 4.956 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1Cc1ccc(-c2ccsc2)nc1 1587609519 QBEWSAKXJJMFDD-QGZVFWFLSA-N 429.549 4.583 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)cc(OC)c1OC 1587841220 ZOHVLGFUTWMWEZ-QGZVFWFLSA-N 434.305 4.751 30 10 IJEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCNc1ncc(Cl)cc1Cl 1587937286 INUKCIJOFPYDNB-UHFFFAOYSA-N 441.322 4.575 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1588020693 SOQFLDMZDWCHNP-GOSISDBHSA-N 446.064 4.804 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCc1sc(C)nc1C 1588185996 PPYVQZXDFTWDTI-JOCHJYFZSA-N 431.609 4.599 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC(F)F 1589449915 VBPWGPCEXVRMLM-UHFFFAOYSA-N 435.700 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)SC 1589657574 GHGUHNWLTAQIPH-ROUUACIJSA-N 437.654 4.547 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1594559195 HDUDSIBHADJMJW-LJQANCHMSA-N 442.608 4.855 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)N(C)C)CC1 1594599911 BFRGPWZKARNASS-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(F)(F)F)C1 1594693360 XQXMUYWTDIUQPK-KDOFPFPSSA-N 440.535 4.865 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F 1595099624 FUZUHUDJRSQUJF-SFTDATJTSA-N 441.526 4.672 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C(C)C)C1 1595120038 KVVZNGPATXYCLX-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1 1595608877 ZVAPGJQMRLNFRS-GOSISDBHSA-N 445.489 4.675 30 10 IJEE CCC1(Cn2c(CSc3ccc(C)cc3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1613751801 BXNLXSRPLZGJDN-IBGZPJMESA-N 427.618 4.824 30 10 IJEE COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C[C@H](O)COc2ccc(CC#N)cc2)c1 1616558535 APXHCGCNMUUQOB-HNPKZYAISA-N 442.559 4.732 30 10 IJEE C#CCN(C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)[C@H]1CCCc2ccccc21 1617567332 YAIHACMLGWSCOJ-DEOSSOPVSA-N 428.532 4.792 30 10 IJEE C=CCOC[C@H](NC(=O)c1cc(-c2ccc([C@@H](C)CC)cc2)nc2ccccc12)C(=O)OC 1617951535 WAMFVBQCGHKFKS-BVZFJXPGSA-N 446.547 4.889 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(-c4ccccc4)nc3O)c2)c1 1623807290 YXNBJVPKPOQWCH-UHFFFAOYSA-N 448.478 4.893 30 10 IJEE CCCc1c(NC(=O)N(CCC)CCN2CCCCCC2)cnn1-c1cccc(C#N)c1 1623857760 HQZPYGVEUACWHH-UHFFFAOYSA-N 436.604 4.816 30 10 IJEE C#C[C@@H](NC(=O)N[C@]1(C(F)(F)F)CCc2ccccc21)c1ccc(Br)cc1 1627872407 NXJMPXGQJLWHGB-IEBWSBKVSA-N 437.259 4.827 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 1634215954 ONCZQKURKGBFDC-UTKZUKDTSA-N 429.904 4.571 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1635834944 KPHNRXBXCSXLRX-NRFANRHFSA-N 440.609 4.933 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 1636709681 JFFQFDXQIWQRNW-NRFANRHFSA-N 436.543 4.996 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCC(=O)c2cc3c(s2)CCCC3)s1 1639760428 IKQNKUJUZSRRIM-UHFFFAOYSA-N 441.043 4.778 30 10 IJEE COc1cc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 1642499669 HWUNDPVRFGHPSZ-RBUKOAKNSA-N 429.520 4.824 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Br)c(C)c1 1643572806 CWTSNQJMYLFTPC-UHFFFAOYSA-N 435.435 4.856 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCc1cc(OC)ncc1Br 1643640337 BIECOWHOJXJMCJ-UHFFFAOYSA-N 431.359 4.513 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)c2ccc(OC)cc2)nc2cc(Cl)ccc2c1=O 1651553328 YKGGOBOGYUSYRQ-LJQANCHMSA-N 428.941 4.998 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3 1651648516 UYKQYFHXQFKSDY-LSDHHAIUSA-N 433.643 4.508 30 10 IJEE C=CCC[C@H](NS(=O)(=O)Cc1ccccc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1654703009 WIRRPSQKIAKOIM-IBGZPJMESA-N 441.471 4.619 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 1655997444 IEROYSDAUKDZTK-UHFFFAOYSA-N 445.654 4.969 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)CC1 1668488601 SPLMOGHASVFRNJ-QFIPXVFZSA-N 434.422 4.596 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 1670845986 WAVBJUCPHCCYHG-HOTGVXAUSA-N 436.394 4.788 30 10 IJEE CSc1nnc(CNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)s1 1673090127 AHUXWDUNJAEVBA-UHFFFAOYSA-N 448.389 4.871 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1 1675221612 PAMRMZMYLNUYJV-UHFFFAOYSA-N 446.503 4.939 30 10 IJEE CC(C)(CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1cccc(Cl)c1 1676206457 HMZHDXQSYDZXLF-UHFFFAOYSA-N 447.970 4.569 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1678328542 ZXLNMIXISLDFND-OFNKIYASSA-N 438.591 4.515 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(F)c(F)c1 1681556946 OLLMGAALOFWPLM-VPWXQRGCSA-N 437.531 4.774 30 10 IJEE C=CCC[C@H](NC(=O)N1CC[C@]2(CN(Cc3ccccc3)C[C@H](C)O2)C1)c1ccccc1 1685799369 VGNDDBILAPRDSS-LNBJVWSJSA-N 433.596 4.769 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1ccc(Cl)s1 1689828644 QJBCNMJQZBXYFN-GJZGRUSLSA-N 432.952 4.973 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1689920642 FSGZHYLYOVAEAN-GOTSBHOMSA-N 436.600 4.646 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(Cc1cccs1)C(C)C 1690273273 LGVPMYZJMJJVGZ-UHFFFAOYSA-N 444.004 4.914 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2COCC)CC1 1690384165 HMWWFSVZGSCVNZ-DHIUTWEWSA-N 438.616 4.938 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CCOC)C1 1690455253 GLTCVBKZHASDOZ-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1690469033 BLDUDSOPOFCXJF-FHWLQOOXSA-N 429.609 4.799 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)C1 1690689646 JACWUUQMVBUVCU-CEMLEFRQSA-N 445.007 4.831 30 10 IJEE CSC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1698368824 BJHNFYVZVZUISB-QHCPKHFHSA-N 439.629 4.890 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1705518735 QFMXSWNWUYAIOF-UHFFFAOYSA-N 427.474 4.723 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCC1(COC)CCCC1 1705678025 LPWIDSBZAFYRLG-XMMPIXPASA-N 440.563 4.585 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC2(CCC2)C[C@H]1CC 1705730238 FGMVKXUDYUKWOL-QGZVFWFLSA-N 448.409 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCOC2)CC1 1705776350 DSDHLRGOGDYWFQ-KRWDZBQOSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2[C@H]2C[C@H](c3ccccc3F)C2)CC1 1705777042 VZGRIPWSNISAEP-IHPCNDPISA-N 428.552 4.662 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CC[C@H]1C2 1705790576 ABMHSUSHQUJSPH-ZCNNSNEGSA-N 443.636 4.984 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)CCc1ccc(Br)cc1 1705792083 LVYQYGVWQDDOCX-SFHVURJKSA-N 447.421 4.826 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705795920 VCGKUQNDOBBXGR-UXHICEINSA-N 432.515 4.588 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1nc2c(s1)CCCC2 1705848135 FEWIIWROHXXXLX-UHFFFAOYSA-N 437.613 4.674 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC[C@@H]1CC)C1CC1 1705854412 TVDZHOWFJIMSMI-NRFANRHFSA-N 428.024 4.942 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCCC[C@H](SCC)C2)cc1 1705910767 MOLOWAKOHDBDNL-QFIPXVFZSA-N 426.630 4.956 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C2CCCCC2)N(C)C)C1 1705918168 DLJZILXKKHZDST-VWNXMTODSA-N 437.632 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722288072 VUBVXVNMTSUMQU-OTWHNJEPSA-N 428.024 4.813 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H](OCC)C1CCCC1 1722470416 FWNKJVFNNRRSPU-ZEQKJWHPSA-N 431.584 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1722496643 MRHZXJMDITXBPV-USKVXJDGSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC1(C)C 1722513544 ZHBUHOKMDHLZRK-SFHVURJKSA-N 434.588 4.684 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(F)F)C1 1722557789 TYSRNOWNUDQOLZ-AWEZNQCLSA-N 428.936 4.813 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCN(CCC)CC1 1722585084 QNEPORRQVXCOBU-UHFFFAOYSA-N 440.592 4.766 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCC1CCCC1 1722659957 IICNQSJOIQMRPZ-NRFANRHFSA-N 425.552 4.531 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)Cc1cc(Cl)ccc1OC 1722735529 MOEPLKRCRLXLLJ-UHFFFAOYSA-N 429.977 4.558 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@@H]1C 1723386502 AZEYTMFBUDQPLT-MBSDFSHPSA-N 429.996 4.916 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC(F)(F)F)cc1 1731188162 FZYHFUJPYSYAJG-UHFFFAOYSA-N 444.461 4.545 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCC(OC)CC1 1740533484 BSIKKFMDXFPTEC-BUJABKPXSA-N 430.980 4.735 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc([C@H](C)O)cc1 1740540219 UGRGXRFETDAIBL-BZSNNMDCSA-N 434.609 4.691 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1740580637 FCXHUUHNNLNFSU-APWZRJJASA-N 431.378 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1740652347 YSDBQBBMLCJIJA-FHWLQOOXSA-N 437.385 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccnc(SCC)c1 1740668912 DXPAZVOIFOOJAI-UHFFFAOYSA-N 444.564 4.615 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1nc(C)cs1 1740675555 RSTVEYUGSARBAC-KRWDZBQOSA-N 425.627 4.907 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCCC1 1740676573 HJWWYWMEWIRIAH-JOCHJYFZSA-N 440.563 4.648 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC=C(C)CC1 1740768255 UVKXMQDSCGLPES-XMSQKQJNSA-N 428.964 4.648 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1740790217 WBAADRBCSIDPKC-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1740805348 RHKFSTKMQJKHBJ-UHFFFAOYSA-N 449.983 4.825 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC(=O)NC2CCCCC2)CC1 1740825555 XAYLVAOWQMYDKR-QHCPKHFHSA-N 435.616 4.815 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740844870 XBSAMTDPUZFLFI-LJQANCHMSA-N 445.995 4.916 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1cccc(O)c1 1740852786 RZGNDKHYBDPSOX-LMNJBCLMSA-N 428.577 4.507 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)(C)C)CC1 1740869744 YGEMCMPOPGOPOB-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)SC 1740922901 WICGGWZWVDQLPM-MRXNPFEDSA-N 442.610 4.722 30 10 IJEE CCC(CC)[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)OC 1743984700 GDZLCVIIWKQFBJ-REWPJTCUSA-N 447.986 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCSC(C)(C)C1 1749134978 AVGFDCKBDWUELG-GGAORHGYSA-N 440.657 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 1749135292 DJMUWLGJGABKPG-UGKGYDQZSA-N 448.533 4.823 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC(Nc2ccccc2Cl)CC1 1749231437 PWCBXAXLVQZAIB-UHFFFAOYSA-N 432.012 4.804 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@](C)(O)c2ccsc2)CC1 1749312697 RSBOGLQHIRXFHH-DEOSSOPVSA-N 438.597 4.600 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1749396269 YWOPXMKNNJEWCH-IBGZPJMESA-N 447.612 4.513 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCC1(C)C 1749482195 CYNHZFLYGMWXAD-SFHVURJKSA-N 434.588 4.684 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1749582207 DVBSKDBUPUBIBF-FQEVSTJZSA-N 441.620 4.892 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCC1(F)F 1760221736 IGNNOLNGIKANGK-OAQYLSRUSA-N 435.522 4.570 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(c2ncc(C)s2)CC1 1760278080 LDIDNJDGMOHKPN-UHFFFAOYSA-N 441.601 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCN(CCC)C1 1760298092 VRVPDWMHWIXVQV-PXDATVDWSA-N 437.657 4.603 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N(C)C[C@@H]1CC=CCC1 1760310330 BKXNKVQKWUXTIB-GOSISDBHSA-N 431.378 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)C(C)C 1760315601 GYBVHNXDHUFCTM-HKUYNNGSSA-N 433.394 4.924 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2c(C)noc2C)CC1 1760384195 NOLRJQOLZCKHPT-UHFFFAOYSA-N 429.471 4.550 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ccco1 1760426530 WDEUVFBCJNKBTR-UHFFFAOYSA-N 446.555 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1snnc1C 1760497245 XMESCCOFGBCROV-UHFFFAOYSA-N 438.601 4.541 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1760507747 CTWKKIGWABTUDD-UHFFFAOYSA-N 439.604 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@@H](C)SC)C1 1760539880 XKCMOMMNTDWUNC-LZLYRXPVSA-N 432.659 4.664 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21)N(C)C 1760980135 GTOJYECSVJFGPV-GMHONNGPSA-N 434.632 4.808 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCCS1 1763709876 CLNUXLMCTNJFFZ-TZIWHRDSSA-N 438.645 4.666 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(N2CCCCC2)c1 1765512589 BNXPYERAMAYRBX-FQEVSTJZSA-N 443.599 4.875 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCC(C)C)C1)C(C)(C)C 1771397907 GNRKKJGPRXRZSX-SFTDATJTSA-N 441.645 4.846 30 10 IJEE Cc1ccc(C(C)C)c(OCCN2C(=O)C(=NO)c3cc(Br)cc(C)c32)c1 1772728984 NRAPNIXDJKWEHF-UHFFFAOYSA-N 431.330 4.793 30 10 IJEE COc1cc(/C=C2\SC(=Nc3cccnc3)N(C3CCCCC3)C2=O)cc(OC)c1O 1772732507 XQANGVKIKNWMDB-QUXILYDTSA-N 439.537 4.741 30 10 IJEE CN([C@@H](C#N)c1cccc(Br)c1)S(=O)(=O)c1ccc(OC2CCCC2)cc1 1857960524 LQLHSUKZCRXUNT-FQEVSTJZSA-N 449.370 4.656 30 10 IJEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 1859853370 JYGVMJRPCUDMRR-UHFFFAOYSA-N 432.549 4.975 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 1861341639 UBOQHYMXZGKAQN-HXUWFJFHSA-N 435.565 4.759 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862409783 TYCSSYIXBGXJBI-LJQANCHMSA-N 444.871 4.554 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCCOC(C)C 1862411590 LGIRJRAIKVRMPI-NRFANRHFSA-N 429.463 4.667 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1F 1862470081 FKJCIRUAWBTXMZ-QGZVFWFLSA-N 436.252 4.714 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(OCC)c1 1862526094 OVUFJURWSIKBKZ-IBGZPJMESA-N 442.309 4.612 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCN(C)C)c1 1862543250 BICGVSNLMGYAMP-RUZDIDTESA-N 446.591 4.794 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(Cl)c1 1862558303 VVUGWIZYFWCIDO-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862563914 NQJZPQVDXQYCFQ-DEOSSOPVSA-N 442.515 4.836 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862596396 MXBRPWAOSRQMCZ-DEOSSOPVSA-N 443.499 4.960 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Br)c1 1862600601 WWNBVVMMWQUYQR-KPZWWZAWSA-N 430.298 4.532 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862625618 KVJINLUYFALEFY-BTCOZLQPSA-N 433.504 4.881 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862674193 LKBVOIVXAYQWNR-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)c1 1862749097 QGXNXOCTLFUFHE-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc2cc[nH]c2c1 1862757806 PUHGPCRVEYFXAU-OAQYLSRUSA-N 433.464 4.701 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1863615163 MNUZJHVVVLGXTJ-QFIPXVFZSA-N 426.601 4.984 30 10 IJEE C[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(C#N)cc1)C1CCCC1 1867020760 FYWUTZRNEBWKPK-WZONZLPQSA-N 435.593 4.741 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2ccc(C)cc2)n1 1870001866 XZPXIUUPDSMXES-UHFFFAOYSA-N 431.584 4.909 30 10 IJEE COc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1 1870140704 FLSJPHLIALADQG-CXUHLZMHSA-N 435.487 4.775 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2-c2cccc(C)c2C)c2ccccc2)cc1 1870142416 OFJCGDUSVICJEU-KQWNVCNZSA-N 449.514 4.944 30 10 IJEE C#CCOc1cn(CCCOCCCC)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871005383 DCTQOJNZKWGLQP-UHFFFAOYSA-N 437.367 4.986 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871389349 QZHQXWVNVNQLHJ-XKZIYDEJSA-N 432.403 4.977 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871400183 MZYFBGPIWOIXMT-ODLFYWEKSA-N 431.282 4.787 30 10 IJEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O)C(=O)O 1871423483 TTXGSRDQZMKADJ-HRVJUDJTSA-N 426.465 4.651 30 10 IJEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871428514 FWMGUAINUGXELW-MOSHPQCFSA-N 430.884 4.613 30 10 IJEE COc1ccc(-c2coc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3c2=O)cc1 1871436244 RQZWNLQNIFRNFO-INIZCTEOSA-N 440.455 4.746 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1)S(=O)(=O)CCCC 1871800702 FSHHIQOKXZPIML-NRFANRHFSA-N 434.989 4.946 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 1871942761 NFQCGDGVWQBNOF-LJQANCHMSA-N 441.380 4.978 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(N(C)C)cc1)S(=O)(=O)c1cccs1 1872400607 VUVCOZNUWLEFOD-HXUWFJFHSA-N 449.642 4.578 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)s2)cs1 1872787082 ANDLNSFNIYERBF-LLVKDONJSA-N 434.842 4.831 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2c(NCc3ccccc3)ncnc21 1873608510 FVQUDJIYTAOTKE-UHFFFAOYSA-N 442.479 4.698 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(O)cc1O 1874256066 NIUHPUIYBWHUPJ-FSJBWODESA-N 426.542 4.578 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(O)c(OCC)c1 1874328536 SUQQNMVKAULCGW-ZVHZXABRSA-N 440.569 4.963 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccncc2)c(C)c1 1874457791 ICUOBLXQBOOGTE-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C1CCC1 1874493998 PGFSLCZOQHFLAQ-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccccc2OC(C)C)o1 1874513099 HMZYTRMOYFZKBT-FSJBWODESA-N 442.541 4.743 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCCO)c2Br)cc1 1874596606 SXBFVXOBXJMSMV-YRNVUSSQSA-N 435.314 4.514 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)c(Br)cc1OC 1874696106 ITCXJNLPJICXSQ-SOFGYWHQSA-N 433.298 4.986 30 10 IJEE COCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Br 1875097286 DFYSMFKQUODDAG-UXBLZVDNSA-N 429.310 4.776 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Br)c1OC(C)=O 1875177042 XXSXVSIXLYRODX-RMKNXTFCSA-N 449.297 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@](C#N)(Nc2ccc(Br)cc2)CC1 1888111960 JUQOPQOOKAUVCC-KRWDZBQOSA-N 430.293 4.790 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C)cc(Br)c3)cc21 1890561337 BUQHHIMPEQXOGM-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE N#CC1(c2ccc(C(=O)N[C@@H]3CCc4nc5ncc(-c6cccnc6)cc5cc4C3)cc2)CC1 1890877081 IWYZNDBWYFLBGH-XMMPIXPASA-N 445.526 4.534 30 10 IJEE Cc1ccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c(Br)c1 1890979017 QPMPLVOVPRMKCD-UHFFFAOYSA-N 426.232 4.589 30 10 IJEE CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)[C@@H]1c1ccccc1 1892383468 YVKKTXAQZIWURD-FTJBHMTQSA-N 449.554 4.681 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)c1ccccc1 1901484000 UUBKSJLSTOFYQS-LOSJGSFVSA-N 439.515 4.685 30 10 IJEE C=C([C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 1976564177 GRSOAYMKVBWWBW-ZJSXRUAMSA-N 432.681 4.852 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](CC#N)C1 1985178865 MDSHXQQCNGCYNL-PLGVSFSBSA-N 445.563 4.748 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)Cc3cccs3)c2)OC1(C)C 2079009519 ITELKJCJIYJXBO-UHFFFAOYSA-N 433.382 4.890 30 10 IJEE N#Cc1c(Cl)ncnc1Nc1ccc(Cl)c(I)c1Cl 2099529135 URDQUSIBRXCFKB-UHFFFAOYSA-N 425.444 4.657 30 10 IJEE Cc1ccnc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2190478359 LHPHSIRTOFFZBT-MYDTUXCISA-N 448.416 4.509 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1c(F)ccc(Br)c1F 2231229228 WEDMCLSTZVTLIH-PMACEKPBSA-N 426.301 4.512 30 10 IJEE CC(C)[C@](NC(=O)OC(C)(C)C)([C@H](N)C#Cc1ccccc1Br)C(F)(F)F 2235717777 BVGASDKPDFJEHD-QAPCUYQASA-N 449.311 4.610 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235725254 IVUZMUYONOIDKY-OALUTQOASA-N 437.422 4.964 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2ccccc2Br)CCC12CCC2 2235730202 VAMNQNPWEPXTMY-QGZVFWFLSA-N 432.358 4.940 30 10 IJEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@H](N)C#Cc2ccccc2Br)CC1 2235731856 QNWWJTMDTOEWBH-GOSISDBHSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255607817 DJDXYSRNXZAPBO-QAQDUYKDSA-N 430.354 4.522 30 10 IJEE CC1(C)OB(c2cnc(SCC3(C(F)(F)F)CC3)c(Br)c2)OC1(C)C 2266540370 TUJKPVKDRQZQQR-UHFFFAOYSA-N 438.118 4.578 30 10 IJEE COc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1NC(=O)OC(C)(C)C 2267000570 ZOMDVXPKKDYGQQ-UHFFFAOYSA-N 446.353 4.997 30 10 IJEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267593260 JQLKFPOJSWBXCN-GOSISDBHSA-N 448.397 4.846 30 10 IJEE C=CC[C@]1(COc2nc(C)c(N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2287764211 JYEGVGACLSOKLQ-FQEVSTJZSA-N 440.382 4.707 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C12CCC(CC1)N2C(=O)OC(C)(C)C 2296220442 YFMGNGWXOXDZQA-LVIWNVNYSA-N 433.390 4.711 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C12CCC(CC1)CN2C(=O)OC(C)(C)C 2296281136 IEHUARWPGRFHNA-IMYXXEESSA-N 433.390 4.568 30 10 IJEE C=CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=Nc1ccncc1Cl 2314541703 BCSUBYDNZGKQQM-UHFFFAOYSA-N 445.928 4.551 30 10 IJEE COc1ccc(C=C2SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)c(OC)c1 2314548057 OWBNLJHZNFXSFH-UHFFFAOYSA-N 438.534 4.672 30 10 IJEE COc1ccccc1C=NN=C1SC(=Cc2ccc(O)cc2)C(=O)N1Cc1ccco1 2314818414 FNGOCYJNVYAQNV-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE C=CCSc1nnc(CC)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2321018178 QCZRACSMJRXNRJ-UHFFFAOYSA-N 439.379 4.559 30 10 IJEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2c(C(=O)O)[nH]c3ccc(C)cc23)c1 2321820245 DXQPURIQCFBUOR-UHFFFAOYSA-N 433.537 4.866 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)C1 2322379296 LUANZFXVFNXXPI-UHFFFAOYSA-N 449.595 4.561 30 10 IJEE CCCCCCOc1ccc(C=NNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 2323381584 RLDLFTXXYMBODQ-UHFFFAOYSA-N 432.586 4.892 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324140787 RNMQAQKHVUMTRN-SFHVURJKSA-N 427.928 4.707 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCc3nc(O)c4ccccc4n3)cc(C)c2C1=O 2325203968 CDNNPGABHDQPHM-UHFFFAOYSA-N 440.455 4.848 30 10 IJEE COc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1OC 2325474555 UINAOLZCCJMBNJ-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(OC)c1 2325514087 AYFAGBYNHAYWDK-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCOC(=O)CC1=Nc2c(C#N)c3ccccn3c2C(=Nc2ccc(OC)cc2)SC1 2325758257 ICEMDLSSPDWDQR-UHFFFAOYSA-N 432.505 4.670 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(OC(C)C)cc1 2326784092 DHGBDERCXOLAAN-UHFFFAOYSA-N 438.553 4.589 30 10 IJEE CC(C)c1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCC(N)=O)cc1 2327734977 JRQBWLUKIARHOO-UHFFFAOYSA-N 443.576 4.605 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2327840058 VRXGNXWZBYXFJY-LDHQQMMRSA-N 448.568 4.900 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1cccc([N+](=O)[O-])c1 2328687724 CLMLMQKNFCXFOI-UHFFFAOYSA-N 437.525 4.531 30 10 IJEE CCCCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SC)cc1OC 2329871847 IKALNPWMOQCZLQ-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2N=Cc2cccc(C)c2)cc1 2330032812 GPAORGVWILHVGI-UHFFFAOYSA-N 436.581 4.659 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1N=Cc1cccc2ccccc12 2330730340 DXSHAWPZXNCMDI-UHFFFAOYSA-N 429.549 4.550 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 2331066070 LXIYYLUWTHIAQB-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)cc1C 2331724034 IHPWPRYSXJHWRS-UHFFFAOYSA-N 444.564 4.867 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2334257873 SCJWNJWRLTVTNU-CMOCDZPBSA-N 439.405 4.845 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339535458 LZFSXQMVNPYKQF-MJGOQNOKSA-N 443.397 4.608 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339576731 LKYLXATXANMRKN-WGSAOQKQSA-N 444.381 4.941 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3[C@H]4CCC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365049390 YGNPTVCTUHSUJC-ZEQRLZLVSA-N 445.416 4.970 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3[C@H]4CCC[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365118231 YGNPTVCTUHSUJC-MDIOPLHYSA-N 445.416 4.970 30 10 IJEE CC1(C)OB(c2ccc(COc3cccc(Br)c3F)c(F)c2)OC1(C)C 2369067113 BBFGHUPZUYGVCS-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE Cc1cc(CNC[C@]2(C)CN(Cc3ccccc3)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369617158 YHLQPSICIKJQFY-RBISFHTESA-N 448.460 4.542 30 10 IJEE CCOc1ccc(NC(=S)N2CCS[C@H]2c2ccc(C#CC(C)(C)CO)s2)cc1 2727525 CEPOJZAODCHUDO-FQEVSTJZSA-N 446.663 4.961 30 10 IJEE CCc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c(C)nn(C)c2C)c1 32973627 LSFNUGDTQZEURF-UHFFFAOYSA-N 437.975 4.693 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nccs2)c1 38725823 AIVZWGYEQQLPGU-HXUWFJFHSA-N 446.484 4.573 30 10 IJEE Cc1c(/N=N/c2ccc([N+](=O)[O-])cc2Br)c(O)n(C2CCCC2)c(=O)c1C#N 39870805 HOORRKSEVUZSSO-QURGRASLSA-N 446.261 4.935 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)/C=C\c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 96585419 UOVMDDWPTZEHCW-VURMDHGXSA-N 433.861 4.588 30 10 IJEE CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2F)CC1 98021347 PMBOKSZASJHNBL-UHFFFAOYSA-N 426.580 4.832 30 10 IJEE C[C@@H](Oc1cccc(C#N)c1)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 108986725 WGEPQNCKOBXJAQ-HXUWFJFHSA-N 436.515 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCO2 169961845 LYLUOYKVSSMKHS-JOCHJYFZSA-N 447.874 4.763 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccnc1)c1ccc2ccccc2c1 170013921 OQSNKATZVJSZJT-HSZRJFAPSA-N 446.466 4.894 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccncc1 170018533 YCMZPNMQOXLUKT-QFIPXVFZSA-N 436.870 4.976 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N(CCOC)CCOC)C1=O 170041324 JKXHAYKNSVBHSF-UHFFFAOYSA-N 444.616 4.502 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1 170076794 ZTGYKIOACSSZFQ-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE Cc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170097937 HBPWVEVILMARGX-UHFFFAOYSA-N 433.511 4.912 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3ccncc3)ccc2O1 170203880 IXCXFXAHLSHDSF-JLCFBVMHSA-N 446.890 4.841 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccncc2)c1 170205049 PJROQDNPCQDILV-HSZRJFAPSA-N 444.487 4.667 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccncc1 170211738 VCXSFLWZMYHYBJ-IBGZPJMESA-N 449.334 4.782 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 170226603 CJBVUILMTXGLJG-NRFANRHFSA-N 433.847 4.852 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1 170229707 XWERTFDMIWPGCM-NRFANRHFSA-N 439.389 4.895 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c[nH]c2ccccc12 170256148 PLMKUUXVBGVDRZ-QFIPXVFZSA-N 432.476 4.665 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(O)c1 170257576 AJTJIMXXFQPWIB-QHCPKHFHSA-N 431.488 4.549 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3cccc(O)c3)ccc2O1 170257941 WAHLWMHGRPHIIM-QKFKETGDSA-N 445.446 4.638 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(OCCC)c1 170323400 MBKLZZMZNKIBHR-JOCHJYFZSA-N 437.492 4.583 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC)c2)c1 170329568 YWMDPQORNSYZIL-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)c1ccncc1 170373388 HJXUZCOQGOUPDD-LJQANCHMSA-N 435.277 4.627 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccc(OC(C)C)c2)c1 170432060 LDALVDQUOYHFCS-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE C=CCN(C(=O)C[C@@H](C)c1ccc(Br)cc1)c1nc(C(=O)OCC)cs1 432448617 PFMGIAXGFVIVHT-CYBMUJFWSA-N 437.359 4.795 30 10 IJEE CC(C)(C)Oc1c(F)cc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1F 446281479 BWUVRQHFSMPRCN-UHFFFAOYSA-N 444.482 4.920 30 10 IJEE C=C(C)[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(F)c(F)c1 446633197 FVURZSSMZDZIIX-WIXQSORDSA-N 426.467 4.538 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 475583817 NKSDNTMJGSDIFK-UHFFFAOYSA-N 449.595 4.856 30 10 IJEE COc1ccccc1NC(=O)Nc1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1OC 506949888 JYDUSGQNKQNCOI-UHFFFAOYSA-N 437.500 4.505 30 10 IJEE Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 520740620 XJJJWBPVNHXAMY-GFCCVEGCSA-N 435.933 4.822 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 526073247 GFBHAOFPIGJBHU-UHFFFAOYSA-N 442.235 4.628 30 10 IJEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1ccccc1C(=O)O 526605727 FASBPMIZMJQQKH-NRFANRHFSA-N 430.847 4.967 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccncc2)cc1OC 526605850 UOZCSWLMCJYBTK-XMMPIXPASA-N 441.487 4.808 30 10 IJEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)ccc1OC 526802762 MFQIJKVTGDPVIY-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C[C@@H](C(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1)n1cnc(C#N)n1 538404472 IMGVFPYFMPTZPZ-FQEVSTJZSA-N 437.503 4.523 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(C4CCOCC4)CC3)n2CCc2ccccc2)cc1 558943144 YJVJERZJWGBKJJ-UHFFFAOYSA-N 441.579 4.702 30 10 IJEE CCCOc1ccc(/C=C/C(=O)NC2CCC(OC(=O)c3cccc(C#N)c3)CC2)cc1 586501836 IAJGUXBKIOWUCG-OVCLIPMQSA-N 432.520 4.645 30 10 IJEE Cc1ccc([C@H](C)CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 610030816 YIVQSFIOWPBNNA-LJQANCHMSA-N 427.504 4.826 30 10 IJEE C[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)NC(=O)OC(C)(C)C 742555499 BPNMYUIXTXXDAU-KRWDZBQOSA-N 425.504 4.529 30 10 IJEE CCOC(=O)COc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 800559944 BKOZHWJFPBGSJM-UHFFFAOYSA-N 435.505 4.550 30 10 IJEE C#CCOc1ccccc1-c1noc(Cn2c3c(c4ccccc42)CN(C(C)C)CC3)n1 809395815 SMIXRHNXOBLKRG-UHFFFAOYSA-N 426.520 4.518 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OC(F)F)c3ncccc23)CCCN1C(=O)OC(C)(C)C 1125313781 YCAFCDUESRIHRU-HSZRJFAPSA-N 445.466 4.568 30 10 IJEE Cc1ccc(C#N)cc1C(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1128820689 FAZVIZNVVHRGRY-IBGZPJMESA-N 426.358 4.645 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCC(C)CC2)c1 1136543743 ZHEDRBONGDQUPR-HSZRJFAPSA-N 443.632 4.784 30 10 IJEE C=CCC[C@H](NC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12)C(=O)OCC 1140930034 OELJRMFORFKILK-QFIPXVFZSA-N 434.536 4.634 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H](CN3CCCC[C@H]3C)C2)s1 1146932332 ALEKHLWVJGMSOD-AEFFLSMTSA-N 442.094 4.952 30 10 IJEE C=CCNc1ncc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)s1 1152598033 NLCNVFFAFUINAL-FUHWJXTLSA-N 429.586 4.979 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)c1 1161141775 HTHSCFQRVHLZFF-GGAORHGYSA-N 447.000 4.886 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](CC(=O)OCC)c2ccccc21 1180553694 CEQOQZUHOPHWBD-IBGZPJMESA-N 445.519 4.524 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H]1CN(C2CCCCC2)C(=O)O1 1189012266 BILCFMKEBLQOKX-FQEVSTJZSA-N 442.585 4.597 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 1203541385 BHBTUIZOXPWNOT-UHFFFAOYSA-N 434.849 4.931 30 10 IJEE C=CCSCCNC(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 1204809064 OYRLFTFXJMQJAV-UHFFFAOYSA-N 426.405 4.846 30 10 IJEE C[C@H]1CCCN(C(C)(C)CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 1217730551 DYEACWGWBZLIBL-SFHVURJKSA-N 436.604 4.673 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21)c1ccc(Cl)cc1F 1252478875 GQDRFNOJDBWMCH-WQANXHIZSA-N 433.708 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCSC(F)(F)F 1286521673 CDOWNWWGBSIYPY-HXUWFJFHSA-N 447.486 4.845 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1286612952 ZUHZSJLUMBMFQP-LJQANCHMSA-N 430.980 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC=C(Br)C1 1286623426 IGIUPPRMTALAKF-UHFFFAOYSA-N 445.752 4.577 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCN(CCC(C)(C)C)CC1 1286631201 CQDWSFIJIJAAKZ-UHFFFAOYSA-N 430.040 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CCOCC1 1286674519 GFKFPBCSDAROAP-UHFFFAOYSA-N 432.996 4.976 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1 1286688290 WCRUBZKSYMAHBI-VQTJNVASSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC1(F)F 1286747676 OUHWRGQULPPSMF-SFHVURJKSA-N 442.489 4.892 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1CCOC1 1286763880 XFDUQIVYPUCJEH-QGZVFWFLSA-N 444.938 4.992 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 1289587414 WFVMQXSIQJNMCO-MRRBFIHVSA-N 441.553 4.930 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 1292613378 PYCRBDOCPVNYPA-GOSISDBHSA-N 449.910 4.665 30 10 IJEE Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1-c1ccccc1Br 1293837035 HTKXXRBINSPHAS-RXVVDRJESA-N 449.352 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)CCC 1300282848 QLJLFIVISRTMAX-QMHKHESXSA-N 426.561 4.822 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2ccccc2C)nnc1[C@]1(OC(C)C)CCOC1 1300376017 DUSRQNAXFPPVNK-OZXSUGGESA-N 436.600 4.772 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1300958872 UXEXEKNKRIPDIP-XZOQPEGZSA-N 438.616 4.822 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1301087824 VUKRGQNIWOWQEC-XMMPIXPASA-N 440.975 4.796 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(OC)CCCC2)CC1 1301097254 TURPETUYOMKVHY-UHFFFAOYSA-N 428.602 4.695 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](c1cccnc1)C(C)C 1301379162 CHEPKXNTTOXTHB-OAQYLSRUSA-N 431.540 4.687 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2nc3cc(Cl)ccc3s2)C1 1301538075 FIZMJTOOCLZIAQ-GDBMZVCRSA-N 431.993 4.884 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC(c3nccc(-c4ccccc4OC)n3)CC2)cc1 1301644614 OERNIDJNXKENEJ-UHFFFAOYSA-N 443.547 4.666 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1309579896 OGDRGEOJPYGYJO-QFIPXVFZSA-N 438.524 4.544 30 10 IJEE C#CCN(C)C(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1310477216 ARFDMZWSHYJSOF-UHFFFAOYSA-N 427.302 4.609 30 10 IJEE C=CC[C@@H]1CCN(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)C1 1311343203 DCGQZCIVWXNFSE-XMSQKQJNSA-N 433.552 4.925 30 10 IJEE C#CCN(C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1313025285 CIANEMHZYBVYRX-UHFFFAOYSA-N 440.371 4.538 30 10 IJEE C=CCc1ccc(OC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c(OC)c1 1349159511 ZIAYNSINHWGLKZ-UHFFFAOYSA-N 443.565 4.596 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCc2nnc(-c3cccc(C)c3)n2C1 1350407314 JNOUTGQSSHYHAR-KRWDZBQOSA-N 426.973 4.746 30 10 IJEE C=CCOc1ccccc1CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 1353645719 JBONESKQURIMPE-UHFFFAOYSA-N 435.907 4.831 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cccc(OC)c1)c1ccc2c(c1)OCO2 1353966124 SYBTWVNKDKOUGS-UHFFFAOYSA-N 431.488 4.765 30 10 IJEE C=CCCC[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1Br)c1ccccc1 1355148556 HYIDYJNJSWCLJX-GOSISDBHSA-N 429.358 4.986 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 1357176586 SRCDGYDUOQOIRD-WOJBJXKFSA-N 438.543 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCN1CCCC 1358880729 RPKVYURWNAMTBQ-ICSRJNTNSA-N 444.023 4.720 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1358904318 BNEYFQJEMHQYCW-PZJWPPBQSA-N 440.563 4.614 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1359061357 ZQYJBDRSQDSLSI-RTBURBONSA-N 445.032 4.893 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(CN2CCCCC2)cc1 1359113045 YNVPSDAISUQMQU-DEOSSOPVSA-N 437.632 4.956 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(Cl)c(OC)c2)CC1 1359177467 NSOJXBDNLQDNKM-UHFFFAOYSA-N 437.975 4.956 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1359185271 PZKJQCABXFYQJX-RUZDIDTESA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1359234609 UUXOXWLQIBXXNW-ROUUACIJSA-N 446.437 4.698 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)c1ccccc1 1438922310 PRNKXLRJTXVDPT-SMIHKQSGSA-N 436.552 4.626 30 10 IJEE Cc1ccc(F)c(-n2cc(O)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)n2)c1 1451969447 HIBGPVNGJVXAGQ-CQSZACIVSA-N 446.404 4.599 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 1461218372 HFBOYFFHQNQVKG-QFIPXVFZSA-N 435.568 4.951 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1 1463363888 ZSIAWGCCTUDCGG-QFIPXVFZSA-N 440.584 4.586 30 10 IJEE CN(C)C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)cc1 1465220436 BEKISNJVTOPYRZ-NRFANRHFSA-N 435.915 4.823 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCCc3ccc(C(F)(F)F)cc3)n2)c(Cl)c1 1465979754 CQNQTLYNRWMZQP-UHFFFAOYSA-N 433.821 4.780 30 10 IJEE N#Cc1nc(NC(=O)N2CCc3ccc(-c4ccccc4)cc3C2)ccc1Br 1467117503 BLOGRWFYLDTRFV-UHFFFAOYSA-N 433.309 4.973 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)C1 1472791831 ARDGFHRRZCZUFJ-IAGOWNOFSA-N 438.494 4.836 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cnc2sc(C(=O)OCC)c(C)c2c1 1475265733 RNKFLRKLNJCDAD-UHFFFAOYSA-N 444.578 4.548 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)c1ccccc1 1475813044 YXDDOGUQIAATFY-OAQYLSRUSA-N 439.581 4.526 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCCOC2)C1 1507557854 OAVIDFIYOODAET-HXUWFJFHSA-N 449.418 4.580 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1507596795 PLIXTUWLUMQSNX-FYZZASKESA-N 442.629 4.638 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCSC1 1507701912 DGZPWISLRYRIKZ-FQEVSTJZSA-N 440.613 4.853 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(CCc1ccc(F)cc1)C1CC1 1507794815 AUPUGEQUCNJZIG-GBXCKJPGSA-N 426.580 4.808 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1csc(CC)n1 1507828645 KUCAVVMKKDIMTP-UHFFFAOYSA-N 441.601 4.972 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507830968 RKNCTCGEECGEGU-IBGZPJMESA-N 445.995 4.592 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2COCCC)CC1 1507901501 KUZTURTZLZTCSZ-UHFFFAOYSA-N 431.584 4.641 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCSC(C)(C)C1 1507965454 GDJIXARUDMNTKN-UHFFFAOYSA-N 432.659 4.803 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1cccnc1)C(C)C 1507985390 AXXLBWGKNZCDFO-OAQYLSRUSA-N 425.964 4.968 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1507990247 JBNCDPXVOSKGPX-QHCPKHFHSA-N 430.980 4.703 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CCCCC1 1507998407 AHXRKLXKHFLLAG-AREMUKBSSA-N 444.583 4.669 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCCCC1 1508007542 DQIMTTQQEPQUOG-HXUWFJFHSA-N 443.661 4.691 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cccc(Cn2ccnc2)c1 1508024022 FBKONHNEDHHQOO-UHFFFAOYSA-N 444.583 4.697 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1508027657 MTFNAHQWYXXFAJ-DLBZAZTESA-N 446.477 4.857 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1508109225 PQEFVTSIWONCSM-AUSIDOKSSA-N 448.615 4.768 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1 1521671877 FJYPNECMWHEBAY-XMMPIXPASA-N 428.523 4.804 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)c2C#N)C1 1523678265 DEMOGCDIPNHZLE-AWEZNQCLSA-N 430.957 4.986 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 1524108306 IYDHEBGPWOVRHX-AZQSGLJVSA-N 426.586 4.572 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(C)cc2OCCC(C)C)CCCN1C(=O)OC(C)(C)C 1525176231 UVIWDUVNMZAIKE-AREMUKBSSA-N 442.600 4.829 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)nn1-c1ncccc1Cl 1528714239 HWOOMUSQEQUORD-HNNXBMFYSA-N 445.748 4.600 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1sc2ccc(Br)cc2c1C)C(=O)OCC 1535345050 OASYWXAGRVEJNX-ZDUSSCGKSA-N 430.751 4.776 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1536538921 HIXRLCSJWLNAPC-KXBFYZLASA-N 449.429 4.553 30 10 IJEE Cc1cc(-c2ncccc2NC(=O)COc2ccc(C#N)c(Br)c2)cs1 1539069427 GETLXUYVXLLHRJ-UHFFFAOYSA-N 428.311 4.770 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)OCCc2sccc21 1539159061 PUMXBFGMTTUMSR-RUZDIDTESA-N 434.609 4.862 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1539498992 AGANJLPOOXRMNP-LPHOPBHVSA-N 445.430 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCC1(F)CCC1 1539540080 GABGZVOOUTVQBM-HXUWFJFHSA-N 431.353 4.982 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1Cc1ccc(Cl)s1 1539564000 UPFOSOGWMFIBCS-JOCHJYFZSA-N 426.973 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1539623037 JOYOYXRVVYGRGN-ADHNFCLRSA-N 438.616 4.875 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](CC(C)C)C1 1539643071 KUUCSQWFZQNMJP-HWBMXIPRSA-N 438.616 4.753 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@](C)(CC)C1 1539729361 PGGNLGMLBHWUMX-KOSHJBKYSA-N 444.645 4.729 30 10 IJEE C=C(Cn1c(-c2ccc[nH]2)nnc1N1CCC(CN(C)CCCC)CC1)c1ccccc1 1539764915 FCDHVNQVIVIPOL-UHFFFAOYSA-N 432.616 4.935 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(N(C)C)CCC2)CC1 1539827993 CJMUTHXIFRCVSV-GOSISDBHSA-N 429.996 4.712 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)C)CC1 1539953385 IPCMRUKLXNUHEF-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1539981666 IDNSAUHDIVLSOZ-VKJFTORMSA-N 442.457 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1540057915 MXQSFWZVQQEMHB-MRXNPFEDSA-N 433.984 4.866 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)c1ccsc1)C1CC1 1540114329 LDXRSRGVBYZUOF-DEOSSOPVSA-N 438.597 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CCc1ccccn1 1540141090 ZDSYEXUIOLPFPI-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)C(C)C 1540150944 APBWJMCEHVAPIR-SMIHKQSGSA-N 441.664 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnc(C)s1 1540185690 WGWOVGNVLDKTDZ-UHFFFAOYSA-N 440.960 4.635 30 10 IJEE C=CCn1c(N(C)Cc2ccc(Br)o2)nnc1C1(c2ccccc2)CCC1 1540860930 UUDFEMVNBFBLAD-UHFFFAOYSA-N 427.346 4.926 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCOCC)C1 1540886336 ANGVKULAGMWAEZ-IBGZPJMESA-N 442.560 4.631 30 10 IJEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1)c1cccs1 1541987856 GXIQITDQXHPSGM-XMMPIXPASA-N 430.581 4.986 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H]2C(C)C)c1 1542859800 AILAORMNDDYMDB-UNMCSNQZSA-N 435.597 4.884 30 10 IJEE C=CC1(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCCCC1 1543138329 SZIPBJMHRPZQDK-FQEVSTJZSA-N 430.390 4.685 30 10 IJEE CN(C)c1ccc(/C=N\N=C2/S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)cc1 1554646561 SZSCZZFSLYYEAP-DOSRWIIRSA-N 446.532 4.558 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H](C)c2ncc(C)s2)c1 1554998448 FWVPSOKEKUWFPB-MRXNPFEDSA-N 436.585 4.652 30 10 IJEE COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1556072972 FVIGJWYNADGGHZ-QFIPXVFZSA-N 428.488 4.645 30 10 IJEE C#CCOCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@H](C)C3 1559338049 JOLCCYBMFPQMGR-KRWDZBQOSA-N 438.618 4.567 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(c3ccccc3Br)CC2)CC1 1559763529 GJRCMEZDLXSHIT-FRIYVGAWSA-N 446.433 4.948 30 10 IJEE CNC(=O)Oc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 1562856746 ABUGVNMJSUMZRY-UHFFFAOYSA-N 432.455 4.650 30 10 IJEE COc1cc(NC(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)c(F)cc1C#N 1563098679 AEIPWVLBMBYFPI-KRWDZBQOSA-N 433.915 4.889 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 1563833067 CXDYBRBHRJDAMD-IBGZPJMESA-N 426.973 4.717 30 10 IJEE C[C@@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)[C@H](C)c1ccccc1C(F)(F)F 1564373692 CBOLMVZRPXQBFV-LSDHHAIUSA-N 436.503 4.662 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 1566621353 OYECSINDPGWIDE-HXUWFJFHSA-N 426.563 4.986 30 10 IJEE CC(C)CN(CCC#N)C(=O)CCN(C)C(=O)OCC1c2ccccc2-c2ccccc21 1583563950 DTHLAUBHXVJKCE-UHFFFAOYSA-N 433.552 4.656 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 1585085897 ZEBHJROWNFRCMK-UHFFFAOYSA-N 438.936 4.789 30 10 IJEE C=CC(C)(C)CNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 1587318457 DSMVZBWPPSCQGS-LADGPHEKSA-N 436.552 4.517 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccccc2[C@H]1C 1587712390 SNAUZFDMAOSYAY-MRXNPFEDSA-N 438.373 4.963 30 10 IJEE N#Cc1n[nH]cc1NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1588214456 DKLGJOZUWWYHQS-UHFFFAOYSA-N 429.292 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1C 1589556349 BRMLGQAWBKQGSF-REWPJTCUSA-N 437.613 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1C1CC1 1589687926 TYMSYTLJBHILLJ-NRFANRHFSA-N 444.023 4.930 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC)[C@H](C)C1 1589708851 XRDBGCWNAZOLET-RTBURBONSA-N 432.012 4.795 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](SC)C(C)(C)C)CC1 1594240917 CCXRQDMYPNVFLQ-NHCUHLMSSA-N 442.629 4.971 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1594449208 UJCRJKVGCMCFNW-UHFFFAOYSA-N 437.510 4.674 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1594739256 QMMHVMUDFDCCDH-NHCUHLMSSA-N 430.543 4.897 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C(F)(F)F)C1 1595713949 ISPHDSPEWVKMTO-OAHLLOKOSA-N 433.478 4.796 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(C)C1 1595838653 XDFROCTWODAFSF-UHFFFAOYSA-N 425.602 4.613 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1598326999 GHSODVVSYWEGKU-GQNMWPQZSA-N 430.335 4.604 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3c(Cl)ccc(S(=O)(=O)CC)c3Cl)cc2n1 1611185138 SUHZAADTBJWAGX-UHFFFAOYSA-N 438.336 4.575 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(C)(C)C 1617762139 FRVMQSYYCMLNKV-OAQYLSRUSA-N 436.556 4.971 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1CCc1nc(C(F)(F)F)cs1 1617868626 FUUUVZFAYLCELZ-UHFFFAOYSA-N 448.518 4.802 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CCSC(F)(F)F 1619107836 HHLKFJOJQIECNO-UHFFFAOYSA-N 445.898 4.600 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 1623858743 MDXVKJDCHVJKOD-UHFFFAOYSA-N 444.553 4.825 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCN(C)c1ccccc1F 1625539025 OJHOURZHSLLPCZ-UHFFFAOYSA-N 436.325 4.801 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 1626050998 ZAAVCODFALTPMZ-FQEVSTJZSA-N 446.979 4.504 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1)C(C)C 1628521269 MUYONDZTVNUFBD-FGZHOGPDSA-N 448.449 4.864 30 10 IJEE Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1632521338 FUWSMSRBORFAOM-UHFFFAOYSA-N 428.275 4.732 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccc3ccsc23)CC1 1633103353 BXVHTZSYGADVSS-IBGZPJMESA-N 440.366 4.686 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1634721251 YZKCRWQTEKAZLN-CLOONOSVSA-N 432.564 4.954 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H]2c2ccccc2Br)c(OC)c1 1635586488 LEOWCQWBHNKFKU-LJQANCHMSA-N 430.342 4.929 30 10 IJEE C=CCCC[C@@H](NC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1)c1ccccc1 1638030442 WFNNZIONMRVSLV-QZNHQXDQSA-N 442.506 4.960 30 10 IJEE C=C[C@@H](C)ONC(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1639677958 JKXFLVIYYCBTEF-ZHRRBRCNSA-N 440.927 4.659 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1ccc(OCC(F)(F)F)cc1 1643038036 FSFLPCWBSIOYQX-CYBMUJFWSA-N 425.838 4.612 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C=CCC1 1643605150 FLNOYFMOBQCHCQ-UQBPGWFLSA-N 430.548 4.942 30 10 IJEE C#CCN(C(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1646181704 KVCSIJZLUOWHDD-UHFFFAOYSA-N 430.548 4.518 30 10 IJEE C=CCn1c(SC[C@](C)(O)C(F)F)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1651599467 NSMJPMLZDMAQRX-FQEVSTJZSA-N 440.512 4.867 30 10 IJEE C#CCN(CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)Cc1ccccc1 1654394910 RTUFZTKDCOKZDX-AREMUKBSSA-N 432.589 4.540 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)c2C#N)C1 1654484334 CZHJVLPZTKBMAI-PVFUSPOPSA-N 443.657 4.893 30 10 IJEE C=C[C@@H](Sc1nnc(COc2ccc(CC)cc2)n1[C@H](C)c1ccccc1)C(=O)OC 1656018946 SZXQKZPEBIXPKA-DYESRHJHSA-N 437.565 4.849 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(c2ccsc2C#N)CC1 1659411807 DBRHFDVJKLNFDM-SFHVURJKSA-N 448.617 4.920 30 10 IJEE CCO[C@H]1COCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1659578865 BMWAWBJMZRSBCO-ICSRJNTNSA-N 449.429 4.685 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N 1663277206 ADMYDWFDRRYLOP-FOIQADDNSA-N 433.371 4.559 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc2c(c1)c1ccccc1n2C 1663294025 DOHWJKIWGDAZEA-UHFFFAOYSA-N 436.581 4.876 30 10 IJEE C#CCOc1cccc(NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1 1667077835 FXYOWVALGOCHDI-UHFFFAOYSA-N 427.548 4.865 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCc1cc(Br)ccc1SC 1669545003 DXMCSSALSADPSQ-UHFFFAOYSA-N 437.334 4.686 30 10 IJEE C#Cc1ccc(S(=O)(=O)N(C)[C@@H](c2ccccc2)c2ccccc2Br)cc1 1671304396 IOXMOQAVVPOQRR-QFIPXVFZSA-N 440.362 4.841 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(Br)ccc1I 1673751214 HEGUMUTXZRABAJ-TXEJJXNPSA-N 447.114 4.769 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1nn(CC)cc1C(=O)OCC)c1ccc(C(F)(F)F)cc1 1675476321 SYPJHEGFWUYHTC-QGZVFWFLSA-N 438.450 4.928 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCc2c(Br)cccc21)c1ccc(Br)cc1 1676990544 PAOKNFLQBYOJLF-QZTJIDSGSA-N 448.158 4.873 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1)[C@@H]1CCCc2ccccc21 1678719025 WZMCVVMIHMIDQI-PXDATVDWSA-N 432.564 4.633 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1COc2cccc(Br)c2C1)c1ccc(F)c(F)c1 1680284347 MKJIKJXMXDYGKC-ORAYPTAESA-N 437.284 4.647 30 10 IJEE C=CCCCCNC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1680314860 ZCENJLKELCDKBZ-WJDWOHSUSA-N 442.368 4.685 30 10 IJEE C#CCOc1ccc(CNC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc1 1682564937 XOOAPINVSDMFFE-UHFFFAOYSA-N 447.760 4.646 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN1CCC 1690038070 BLZXGGZTFARKJC-DEOSSOPVSA-N 431.628 4.580 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCC[C@H](C)C1 1690223112 DXXTXFOBWMSVNI-YOEHRIQHSA-N 447.377 4.640 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)C[C@H]1CC 1690230042 OYMHIWJDXFEEJI-TZMCWYRMSA-N 425.321 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1690271119 DPAMDUHIXQZJCF-VWLOTQADSA-N 438.572 4.685 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCCOCCOC)CC1 1690367473 PUVFPPTVFIHJFU-IBGZPJMESA-N 444.645 4.731 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 1690402661 LDLHTJUMKFEDBO-UHFFFAOYSA-N 443.473 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1690417519 VJBMXQFKPGNYGK-UHFFFAOYSA-N 449.521 4.772 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(OCc2ccccc2)CC1 1690428591 VMTUWYALLYZIBF-UHFFFAOYSA-N 432.572 4.523 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690486397 IDSMYOFHHLXXBP-NRFANRHFSA-N 439.995 4.538 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cn2ccccc2n1 1690533694 RUMWWFIUYDGVMZ-UHFFFAOYSA-N 444.583 4.667 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1 1690602548 RGIMTJWXBFLILU-FYYLOGMGSA-N 431.584 4.780 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705654525 LKBNKJHQDJJGDZ-KURKYZTESA-N 428.671 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)CN(C)C 1705670340 QHDOFMUXJXFKFG-IQGLISFBSA-N 439.673 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCC(=O)Nc1cccc(Cl)c1C 1705674568 MCZGAWCYRSAJFA-XMMPIXPASA-N 442.007 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H]1C 1705695014 GYWYOBRJJYKPMS-MYJYVVNQSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)CCSC 1705703985 QEJLJCMISPWUEA-UEXGIBASSA-N 430.618 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC(=C)Br 1705720103 XIYCUYHBBLYLKS-UHFFFAOYSA-N 425.758 4.822 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCC[C@@H]21 1705731933 ITYAXYIPJUCZJY-MJGOQNOKSA-N 431.378 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OC)C1 1705786688 VXXZFXPNWWEMRG-OAHLLOKOSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC)(CC)C1 1705789576 PJZCMQRUJNHBAL-UHFFFAOYSA-N 448.615 4.811 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1705808551 QORBBMUZXXYVGB-XMMPIXPASA-N 448.615 4.636 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1705808839 WXZPVGVEUBSHRM-UHFFFAOYSA-N 438.576 4.602 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cc(C)cs1 1705890004 QKSFNVRJZAJVEH-QGZVFWFLSA-N 431.606 4.585 30 10 IJEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1ccc(Cl)s1 1706320991 HQWJWLCCSBOBTD-GOSISDBHSA-N 427.961 4.614 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccoc2C)CCC(C)CC1 1711622362 HIFMEOFFGBVWEK-UHFFFAOYSA-N 433.556 4.950 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)[C@H](C)CC 1722345320 ORPMAZVKCIGUTA-MOXGXCLJSA-N 432.996 4.819 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1722572548 XGKOWJAONCFBOS-OAQYLSRUSA-N 426.561 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722588141 LICUOUAGJYQJSO-NRFANRHFSA-N 436.579 4.858 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1722606164 GMKYXLZMCCBWKQ-LPHOPBHVSA-N 431.378 4.965 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722625739 WRQLILUOHKJMQI-NRFANRHFSA-N 449.599 4.870 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](F)C1 1722676205 VMZWMEBGBGZNQQ-MJGOQNOKSA-N 439.491 4.820 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(C)CCCS2)C1 1722719152 XWKZGMPQAPRFDX-JTSKRJEESA-N 449.020 4.674 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCO[C@@](C)(C(C)(C)C)C3)nnc2C(C)(C)C)cc1 1722731902 NPYHEYRWICHSKR-RUZDIDTESA-N 426.605 4.830 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CCn1c(C(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1724146419 CIJLBJVPLRGENE-QFIPXVFZSA-N 428.968 4.522 30 10 IJEE CSC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H](C)C#N)CCC1 1731055803 DQCZSBUXQZJGNT-HOTGVXAUSA-N 434.009 4.953 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCC1CCC(OC)CC1 1740650211 SIPARCLAQAGJLV-UHFFFAOYSA-N 430.552 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1csc([C@H](C)OC)n1 1740775246 SCUUOISHKCKJTJ-HNNXBMFYSA-N 447.555 4.762 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC(F)(F)C2)CC1 1740819019 AOSZLUGZQHSPPW-CQSZACIVSA-N 440.336 4.638 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740916263 IHKAEBQVWYFTQH-RXFWQSSRSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@]1(C)CCCS1 1740919732 QBWKIMZLLDXDST-HSZRJFAPSA-N 425.577 4.901 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@]1(C)CCCS1 1740920383 MGSKMQDFXHUNOK-DEOSSOPVSA-N 437.588 4.881 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCc2ccccc21 1740924936 GNOJDFGTZDYKPS-BKMJKUGQSA-N 436.600 4.617 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740933373 PSNWOPHQNXCHRZ-NHCUHLMSSA-N 440.636 4.548 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740934017 OTCZUHDVOMKAOL-AVJFOWIRSA-N 443.680 4.886 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1740944415 HKKHTBRJZHEFOH-SJCJKPOMSA-N 437.769 4.551 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1741003977 LEHPLCJXIICSGZ-JOCHJYFZSA-N 447.048 4.753 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H]2C)cn1 1741327554 BINMQXJSRPEBDI-XMSQKQJNSA-N 429.572 4.803 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1csc(CC)n1 1748651875 SRQLXDXNVRCOHY-CVEARBPZSA-N 439.654 4.851 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1748702971 SHFWPNHCVMWWBY-OAQYLSRUSA-N 430.600 4.774 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1748721057 CBWIHOCIMINUKQ-FQEVSTJZSA-N 440.035 4.636 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCCC2)CC1 1748726610 IBPGCGYNXUFPDO-UHFFFAOYSA-N 437.657 4.747 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCC(F)(F)C1 1748906580 AFJPCOGDXTTWBM-MSOLQXFVSA-N 432.515 4.712 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccoc1C 1749022656 DVIJQUUTLWBULI-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H](C)Cc1cccs1 1749079139 YULKWSHMFBWYMW-HOYKHHGWSA-N 438.572 4.929 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCCn2ccnc2C)CC1 1749312800 SUTKBCXKMZIBFC-UHFFFAOYSA-N 434.588 4.616 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCOC2CCOCC2)CC1 1749335142 LPMFWAXBHZWOOW-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=CCCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(F)(F)F)C1 1749407954 BFPCRKRBBKZRJC-IBGZPJMESA-N 438.494 4.543 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccs1)N(C)C 1749538959 RJXINVADKITBHX-OAQYLSRUSA-N 432.597 4.830 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(CC)C1CCCC1 1749689586 LIJLMAIZUICMMA-UHFFFAOYSA-N 434.588 4.522 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](C)C1 1760278205 MWTWNQNRRLXTCC-MRXNPFEDSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)[C@H](C)CC 1760289072 MABWIYGELBKHKQ-WFAUAPPHSA-N 438.616 4.824 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1ccc(Br)cc1 1760375219 HVBGXNVATXLZQJ-QGZVFWFLSA-N 439.785 4.714 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H]2CCc3ccccc32)CC1 1760403858 IXSJSXTZSOOCHM-NRFANRHFSA-N 435.616 4.719 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(N2CCSCC2)CCCC1 1760458265 BNGAKBXYMSXQDF-UHFFFAOYSA-N 432.037 4.582 30 10 IJEE CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1764029777 ARDOPTVWAOGMAS-QHCPKHFHSA-N 449.599 4.890 30 10 IJEE CCO[C@@H](CCn1c(-c2ccccc2C)nnc1N1CC[C@@](F)(C#N)C1)C1CCCC1 1765780701 CRPCIWBFFHPLQU-XUZZJYLKSA-N 425.552 4.681 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC(C)C)C(C)C)cs1 1767997258 HNIAXMNNHRXGHO-QGZVFWFLSA-N 438.601 4.900 30 10 IJEE CCCCCCCCn1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c(=O)cc1C(=O)O 1857890171 LEUIOFONJJUBAP-INIZCTEOSA-N 448.947 4.966 30 10 IJEE COc1cc(NC(=O)C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc(OC)c1 1860728336 JUEGTRSBOCRNOL-PKNBQFBNSA-N 447.487 4.512 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1862452543 FGMARPAYYOQBSS-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862476701 NCGGWNZHCDUZTD-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)ccc1O 1862492337 PACVPFUNSAOFLW-QFIPXVFZSA-N 449.528 4.858 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc2c(c1)OCCO2 1862505701 RLRPSCMJXAHSGE-JOCHJYFZSA-N 439.483 4.674 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 1862613982 VBBGETGUJOHZRN-HSZRJFAPSA-N 434.580 4.823 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCCO)cc1 1862652968 NKMCIMMQQYTEPW-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(F)c1 1862663858 UTFPNWAZPRJYIL-QHCPKHFHSA-N 438.543 4.869 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714478 CJILSISVCXNMRJ-FYYLOGMGSA-N 431.463 4.736 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCCC)cc2)=C(c2cccc3ccccc23)C1=O 1863219436 GBOUSVAVNBMDPC-UHFFFAOYSA-N 440.499 4.785 30 10 IJEE Cc1cc(C(=O)Nc2c(Br)cc(C#N)cc2Br)ccc1[N+](=O)[O-] 1866067385 CTHDTDDDKCGZBS-UHFFFAOYSA-N 439.063 4.552 30 10 IJEE CC(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 1866969782 SKJSFANNTXXQJT-JWQCQUIFSA-N 443.522 4.803 30 10 IJEE C[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(C#N)cc1)C1CCCC1 1867020757 FYWUTZRNEBWKPK-FDDCHVKYSA-N 435.593 4.741 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@@H](C)N(CCCOC)[C@H](C)C2)nc(-c2ccccc2C)n1 1869149705 WVFDXASVHWOIFT-DHIUTWEWSA-N 449.643 4.566 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870108356 CEQXUBTUFRQRBO-QFIPXVFZSA-N 441.922 4.816 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1871010296 HMYZCQQVPNRKSE-UHFFFAOYSA-N 446.547 4.708 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871370442 MASDXCFJJVTQEM-XKZIYDEJSA-N 434.419 4.743 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)OCCOc4ccccc4)ccc3C2=O)cc1 1871461763 BUGKVMULQOHFKP-XYGWBWBKSA-N 444.483 4.866 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871798794 RQGZYRFQRLWFBJ-KSSFIOAISA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(C)C)S(=O)(=O)c1ccccc1 1872261140 BEIQFNWGJKGEAA-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872541985 KLWCYGXEFHCYOO-OAQYLSRUSA-N 428.598 4.823 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203269 HSXCGHMYYBGPFA-UHFFFAOYSA-N 427.504 4.643 30 10 IJEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3cccs3)C2=O)c(C)c1 1873332459 LJIPKWHQMYXJHI-UHFFFAOYSA-N 441.556 4.980 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873616201 YASMKXOIKJABEU-UHFFFAOYSA-N 429.499 4.972 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1c[nH]c2ccccc12 1874222512 VCDAAUYGKFLQPD-WGOQTCKBSA-N 449.580 4.946 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874256257 QZPFDDDDOREPDP-YDZHTSKRSA-N 437.525 4.851 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCO)n1/N=C/c1cccc2ccccc12 1874301209 NAUULJYSVVCHTM-MFKUBSTISA-N 432.549 4.594 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c(OCC)c1 1874321427 RBFUGVIHGOLGOF-ZVHZXABRSA-N 438.553 4.739 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2/N=C/c2cccc3ccccc23)c(C)c1 1874329286 HUWBOIRLQCRTGQ-MFKUBSTISA-N 432.549 4.594 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(F)cc2)o1 1874427779 AHORXEMGSOXWBI-ZMOGYAJESA-N 436.468 4.638 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1cccs1)Nc1ccc(F)cc1 1874452638 GCVVUCHISFYAED-WSDLNYQXSA-N 429.546 4.749 30 10 IJEE Oc1nc(CSc2nnc(C3CCC3)n2/N=C/c2cccc(F)c2)nc2ccccc12 1874496849 HJTIZZDNZMCNCL-WYMPLXKRSA-N 434.500 4.508 30 10 IJEE C=CCSc1nnc(C2CCC2)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874496956 MVXCROVKJLMTFZ-RGVLZGJSSA-N 437.363 4.573 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(OC)c1OCC 1874504595 UWPVRZVTCPJEEB-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)c1 1874572652 YKFPMHAURHXFPV-FNORWQNLSA-N 428.897 4.719 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCc1nc(O)c2ccccc2n1 1874584245 FHXJBOXKHOPSQC-SDNWHVSQSA-N 430.435 4.958 30 10 IJEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OCC(=O)OC 1874629373 ZRGHXZLKRPIABF-CMDGGOBGSA-N 441.480 4.675 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1 1874659435 BMRRGMRWLPFJJK-HSZRJFAPSA-N 439.625 4.976 30 10 IJEE Cc1c(C#C[Si](C)(C)C)c(C)c(NC(=O)OC(C)(C)C)c(C)c1CN1CCNCC1 1887514214 PTLQFTNHFUOMSA-UHFFFAOYSA-N 429.681 4.593 30 10 IJEE CN(CC1CCN(C(=O)C2CC3(C2)CC(c2ccccc2)C3)CC1)c1ncccc1C#N 1890153816 PVILSOAAFVPNOI-UHFFFAOYSA-N 428.580 4.602 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cc(-c4cccs4)on3)ccc21 1890734695 INFBJYZMYFXPAX-UHFFFAOYSA-N 437.521 4.522 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1c(Br)cccc1Br 1931405103 VPQLEPSDFUCERK-ZDUSSCGKSA-N 434.172 4.635 30 10 IJEE Cc1cc(C#N)ccc1[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951953454 GKQSPRLZSRMCCU-SANMLTNESA-N 426.472 4.705 30 10 IJEE N#Cc1ccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1952788374 IKLJNXWUKLLYDJ-ILBGXUMGSA-N 438.483 4.955 30 10 IJEE Cc1cc(C#N)cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1952853225 LUAIMFMOSDDCBB-SHQCIBLASA-N 438.483 4.705 30 10 IJEE Cc1cc(Br)ccc1SCC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1963838268 IDLSPVDPLLATCI-AWEZNQCLSA-N 440.212 4.544 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CCC1 1987026010 VVYSMPJOWAIRCB-IMDCKVJKSA-N 444.575 4.858 30 10 IJEE CCC[C@@]1(C)CSC(=Nc2ccc(I)c(Br)c2)N1 2029946397 UYUMGHQYTRSSJY-ZDUSSCGKSA-N 439.160 4.936 30 10 IJEE NC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Cl 2079972056 PONRKKNXHPHLBA-NSHDSACASA-N 429.723 4.812 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(O)c1 2080043123 PVKRDERGJMIDES-LJQANCHMSA-N 434.334 4.825 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(C#N)c(Br)c1F 2107384890 ZATARJIAZRSLOS-IUODEOHRSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2118186921 DMTYGBCVCIZPHN-CQSZACIVSA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)NCC1C[C@@H]2CC[C@H](C1)N2c1cc(Br)cc(F)c1C#N 2174765927 RMPJTKSQLLILIT-LQDVMPOASA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(c2ccc(C#N)cc2Br)C1 2174813866 AYUHYHCGFLXAGV-FUHWJXTLSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CC1 2181107999 NVBIIRYDFZBZOT-ZFWWWQNUSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1 2181153712 GNSOYACFIYQRSK-KBPBESRZSA-N 436.350 4.590 30 10 IJEE C=CCC1(Oc2cc(Br)cc(F)c2N)CCN(C(=O)OC(C)(C)C)CC1 2224708697 KJAQUTISCVLXKH-UHFFFAOYSA-N 429.330 4.895 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2229025254 DMVPDPCCSVYNEK-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE CN(Cc1ccccc1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2232328618 QYDPLGMTVAIBOZ-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCCN1C(=O)OC(C)(C)C 2235728460 MHRMETZYEMEWFH-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2235731731 XSSGYNAHTPQKFT-QRWLVFNGSA-N 445.348 4.717 30 10 IJEE CCN[C@H](CC#CC(C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248463425 QBMSDWUKKVONFR-JOCHJYFZSA-N 428.617 4.858 30 10 IJEE C=CCCC1(C(=O)Nc2cc(Cl)c(Br)cn2)CN(C(=O)OC(C)(C)C)C1 2266237355 ZXFYFHIAKKOQNE-UHFFFAOYSA-N 444.757 4.639 30 10 IJEE CN(Cc1ccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1)C(=O)OC(C)(C)C 2267099983 PFFWIZJYXSDNEI-UHFFFAOYSA-N 444.381 4.864 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(F)cc(Br)c2F)C1 2272731994 GVEIICHUZDWKCN-MRXNPFEDSA-N 431.321 4.991 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(O)C#Cc2cccc(Br)c2)C1 2296217495 VFVULABAONWFDE-SFGWALBWSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1[C@H](CC)CCN1C(=O)OC(C)(C)C 2296268512 FTCDHNGGDKCBMI-MISYRCLQSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](F)[C@@H](C)CNC(=O)OC(C)(C)C 2296278909 JIZCJUHJJXAESZ-IPELMVKDSA-N 441.385 4.668 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)C(C)C 2296298026 FVDPEOLWXMELPQ-UYAOXDASSA-N 437.422 4.966 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 2305197829 RRNOJGKMGPXROK-ZHBILRMLSA-N 428.573 4.696 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2306793553 SFIILGOQRGXGSS-ZOCZFRKYSA-N 434.541 4.606 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1 2308428182 MTWVTDQIHJDKAL-KHCICDEESA-N 443.544 4.728 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2317338436 OKDRNDOHWMWUDN-DHIUTWEWSA-N 440.628 4.858 30 10 IJEE CCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1c(Cl)cccc1Cl 2321014698 DQVKAQCJJLMISK-UHFFFAOYSA-N 440.400 4.571 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccccc2OC(C)C)cc1 2321101645 QZTPNPQDEPIHGB-UHFFFAOYSA-N 437.569 4.549 30 10 IJEE CCc1ccccc1NC(=O)CSc1nncn1N=Cc1c(Cl)cccc1Cl 2321240816 ROAAYDZDAWBDSY-UHFFFAOYSA-N 434.352 4.760 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(C(=O)O)[nH]c2ccccc12 2321770881 YAKRONBBYSNRBG-UHFFFAOYSA-N 437.500 4.724 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2COc2ccc(C)cc2C(C)(C)C)c1OC 2322260346 ANHAUGHEAIYCRE-UHFFFAOYSA-N 440.569 4.651 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2Cc2ccccc2)cc1Br 2323511816 TVSOASLJLFNGEV-UHFFFAOYSA-N 431.359 4.591 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 2324450396 QPCIGMDYGPKRHR-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2324545678 ORYNTZPEONGEGE-UHFFFAOYSA-N 426.509 4.857 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325072454 FHVCYSYSAJKJMA-HNNXBMFYSA-N 430.884 4.612 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccc(OC)c1OC)C2=O 2325081371 BDOABJTXXRSTES-GOSISDBHSA-N 440.492 4.739 30 10 IJEE O=C1C(=Cc2ccccc2)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 2325263506 YNKCJPUCKKMMKN-UHFFFAOYSA-N 431.400 4.657 30 10 IJEE COc1cc(C=CC(=O)Nc2sc3c(c2C#N)CCC3)cc(Br)c1OC 2325402119 JFGDPVHUHAGJGV-UHFFFAOYSA-N 433.327 4.540 30 10 IJEE Cc1cccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 2325628130 VMECOMPNKWWHFV-INIZCTEOSA-N 444.443 4.925 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@H]2CNCC[C@H]2NC(=O)c2ccc(-n3cccc3)cc2)cc1 2328215066 SEGBCQVXFKGYTA-IZZNHLLZSA-N 441.575 4.591 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccn2C)c1 2328606045 RPJQUOSZKMWOTQ-UHFFFAOYSA-N 445.592 4.893 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc2ccccc12 2330624948 FFNXRWGKOJQFGR-UHFFFAOYSA-N 443.576 4.941 30 10 IJEE C(=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1)c1ccc2c(c1)OCCO2 2330675253 ZRVHGUWQELTQEI-UHFFFAOYSA-N 442.544 4.933 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C(C)C)c(OC)c2)cc1 2330977195 UZGIPDBZONSKSP-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c(O)c1 2331017282 UMDVNUWACQDMQF-GOSISDBHSA-N 448.907 4.508 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccccc1OC 2331492705 IWHKUBSASPIQPA-UHFFFAOYSA-N 449.580 4.730 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C3CC3)c([N+](=O)[O-])c2)c1 2331678599 GHTADKJHTYEOPW-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl 2331690065 FBOILFGFAIGXMO-UHFFFAOYSA-N 445.855 4.867 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339575025 QNAXDUNELLJZPU-HKUYNNGSSA-N 443.397 4.784 30 10 IJEE Cc1ccc(OCc2ccc(I)c(Br)c2)c(C#N)c1 2350074859 JWTOJOQJYOUKQQ-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2352244348 ZEUFPWCQIUQGDW-SZEUEKNRSA-N 443.397 4.608 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2358671715 LNNMCYGYKURVQU-YAJHFMINSA-N 435.406 4.670 30 10 IJEE COc1nc(Sc2ccc(Br)cc2C)ccc1B1OC(C)(C)C(C)(C)O1 2365346321 RMKKEZKJCRBDHV-UHFFFAOYSA-N 436.180 4.612 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cc(OC)ccc2OC)C3=O)cc1 2099131 YUXUAPUWLJOWCF-YDZHTSKRSA-N 432.428 4.548 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OC(=O)c2cccc([N+](=O)[O-])c2)c1 34954445 VAYVCROBKPFCAA-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N(C)Cc2ccccc2)c1 37600371 FKKJHUAHUQYVKH-UHFFFAOYSA-N 445.538 4.929 30 10 IJEE CC(=O)c1cccc(NC(=O)N2CCC[C@]3(C2)Nc2ccccc2N/C3=N\C(C)(C)C)c1 97096116 NYOTWQGMCZZEII-RUZDIDTESA-N 433.556 4.990 30 10 IJEE N#CCCn1cc(/C=C/C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c2ccccc21 108883016 IFJYBAGVROHYOB-FMIVXFBMSA-N 432.487 4.917 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1 170006185 BXRLYHWHJISMFI-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccnc1)c1cccc2ccccc12 170013761 SQOIIRAOUKNJJH-QHCPKHFHSA-N 446.466 4.894 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)c1 170022254 ATKREQOOGINNRJ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2)c1 170054875 WAIUMGXBZBWOEN-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(C)o2)c1 170099701 YZRUGKRTOSJCOT-HSZRJFAPSA-N 445.471 4.705 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccs1 170154364 JHZKAIBBEYQNCN-IBGZPJMESA-N 425.531 4.905 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccs2)cc1C 170160092 KJDFTXUDZWHGBX-NRFANRHFSA-N 435.501 4.857 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccs1 170164297 RFULHIJNXPULLL-HXUWFJFHSA-N 427.566 4.969 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OCC(C)C)cc1 170167306 DYBPOVUSLDCTLA-NRFANRHFSA-N 438.480 4.618 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)c1 170188055 WHZHURFBCWECKQ-QHCPKHFHSA-N 428.488 4.899 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)ccc1OC(C)C 170188261 HDXPMYQQXZIECI-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170191504 ZJZCFKAHDYUJEM-LJQANCHMSA-N 426.806 4.796 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1c(C)[nH]c2ccccc12 170312376 MMHONMMYUNAWST-PSLXWICFSA-N 430.504 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccncc1)c1cccs1 170356994 NPFUKCXZFIWDDB-QGZVFWFLSA-N 446.406 4.825 30 10 IJEE C=C(CNC1CC1)COc1c(Br)cc(Br)cc1Br 231505291 GJHFTCLNGUOUCG-UHFFFAOYSA-N 439.973 4.661 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(COC)cc(C(=O)OCC)c1 427770784 LZBDSHCOTJOHPN-UHFFFAOYSA-N 431.554 4.662 30 10 IJEE N#CCCn1ncc(C(=O)NCc2ccc(COc3ccccc3)cc2)c1-c1ccccc1 428215453 BBDQKSVYIBOEBU-UHFFFAOYSA-N 436.515 4.973 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)o1 442141981 VLEWEFQMAWLCCN-FCEWJHQRSA-N 425.554 4.778 30 10 IJEE C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460779239 PCDPVSLQANGXQJ-RUZDIDTESA-N 440.547 4.882 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)NCCc1ccc(-c2csc(C)n2)s1 505882500 FRJANQXWSRJRHL-UHFFFAOYSA-N 425.579 4.596 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)cc1OC 526490436 XADULSPXXLNRNZ-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])s2)c1 526517243 SSPHWKCJTAAFRX-HXUWFJFHSA-N 433.445 4.594 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCC)c(OC)c1 526803086 QUUAGXZBWQNJJE-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C(=O)OC(C)C)o2)cc1 526830790 BCMWKDJUNIRWSL-QRVIBDJDSA-N 426.542 4.736 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 549271963 XAWYKOVBDDUDAG-UHFFFAOYSA-N 432.528 4.819 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 558778452 FTYQMIGXIVHLEI-YEDXFHJSSA-N 432.008 4.534 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 569173270 NIIHSPRIKVVQPD-QFBILLFUSA-N 436.487 4.813 30 10 IJEE N#CCCn1cc(CN2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c(-c2ccncc2)n1 578331667 OMAITWNXVLJZRL-QFIPXVFZSA-N 443.448 4.948 30 10 IJEE C=CCn1c([C@H]2COCCO2)nnc1N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C 685542706 MOJMZNFVBVMLSK-HXUWFJFHSA-N 442.560 4.835 30 10 IJEE CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732697316 YVWYXCQENIDZSB-GOSISDBHSA-N 440.931 4.735 30 10 IJEE C=CCn1c(SCCC2OCCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O 754271024 MYUFJVOBHFJUMM-UHFFFAOYSA-N 428.579 4.865 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC(Oc3ccc(F)cc3)CC2)c1=S 764987317 BORLLINLSSTXQE-UHFFFAOYSA-N 430.574 4.969 30 10 IJEE CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccc([N+](=O)[O-])cc1 768411490 IBVNKZDPFPTBIG-UHFFFAOYSA-N 429.889 4.721 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)OCc3cc(Br)cc(C#N)c3)o2)cc1 790858162 RNKWEYNVPKXQBG-UHFFFAOYSA-N 441.281 4.660 30 10 IJEE C=CCn1c(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)nnc1C(F)(F)Oc1ccccc1 809922323 SWHWFFSDSJVPIQ-PBHICJAKSA-N 429.298 4.613 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)C1=O 1128395335 GCIZUYUKPKOWTH-XMMPIXPASA-N 442.563 4.522 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1 1128703655 UTKASTBWSSKPLH-UHFFFAOYSA-N 428.488 4.603 30 10 IJEE C=C(C)CCNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 1129193765 VMTJBBPMMGBYAH-UHFFFAOYSA-N 426.748 4.654 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(F)ccn2)nnc1-c1ccc(Cl)cc1Cl 1130665324 OQUYMJSCLAHWRC-UHFFFAOYSA-N 438.315 4.703 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)c1ccccc1 1133167528 AFFHORGOQNLFMN-UXHICEINSA-N 428.326 4.744 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Cc2sc(SCC(=C)Cl)nc2C)cc1 1141331529 KTUXELWMZJSSIG-UHFFFAOYSA-N 436.990 4.785 30 10 IJEE C#CCN(c1ccc(C(C)=O)cc1[N+](=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 1162523257 FYEHNSLSWYAPDL-QGZVFWFLSA-N 429.270 4.523 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cc(OCC)c(OCC)cc1Br 1198956732 DYJSSXQIMZBXGE-UHFFFAOYSA-N 433.302 4.903 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 1221992664 CODOUJFUAXREOP-JOCHJYFZSA-N 449.551 4.922 30 10 IJEE C#CCN(C(=O)N[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)C1CCN(C)CC1 1229311661 SUDFLHDHVGASJW-QHCPKHFHSA-N 443.563 4.515 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccc(C#N)c(F)c1 1235201149 AOLMVFASTYQNBB-NRFANRHFSA-N 438.503 4.921 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 1269308287 PDDQMEGYUDSRGN-UHFFFAOYSA-N 428.513 4.996 30 10 IJEE O=C(O[C@@H](Cc1ccc(F)cc1)C(F)(F)F)c1cn(-c2ccccc2C(F)(F)F)nn1 1269317792 FLTLLRICKZZDDR-INIZCTEOSA-N 447.310 4.756 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@H](CC#N)c2ccccc2)C1 1271838046 GCUXZHXEHBRRBS-RTWAWAEBSA-N 440.385 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCOCCCC 1286276235 WATSKJRPGWDLEG-HNNXBMFYSA-N 437.357 4.511 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286318411 UYCDVSUYFYAGOC-HNAYVOBHSA-N 438.790 4.817 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1286354627 QKHQJUKVZGNZDB-VGOFRKELSA-N 435.597 4.643 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C1CCCCC1)N(C)C 1286361503 PUHJGWYNPODYQU-AVRDEDQJSA-N 444.023 4.651 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)c2cccs2)CC1 1286472375 HCRASMXCUYJCJF-QFIPXVFZSA-N 447.652 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)CC 1286516629 IBZVOIRZWYUWAK-RPWUZVMVSA-N 438.572 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC=CO1 1286565550 DMPZPBXUNAFSOL-QGZVFWFLSA-N 447.377 4.811 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1286608612 SGYVETQMOONIMB-IBGZPJMESA-N 431.650 4.917 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286624527 IESSVITVQMGIGO-MRXNPFEDSA-N 449.958 4.530 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccoc1C 1286707473 CWZOLGUMMYLRJZ-UHFFFAOYSA-N 431.540 4.932 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286707516 DWOFZBMESGXIKT-FQEVSTJZSA-N 432.996 4.975 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)N[C@H](C)CC)C1CC1 1286735056 MCTBUMSYWOQCBG-QGZVFWFLSA-N 441.645 4.735 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCN1CCC 1286743526 JVSNIFANUPEBRH-QHCPKHFHSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCCCCC1 1286748878 DZFJKDIERVOIOI-IBGZPJMESA-N 430.618 4.512 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(F)(F)F 1286761265 ZMHBMTUCNNTMAI-INIZCTEOSA-N 443.514 4.871 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286777393 XYIJRFNLIOIXQJ-NRFANRHFSA-N 439.387 4.991 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN(C)C2CCCCC2)C1 1286805380 SECGOPLEUJVZQQ-FQEVSTJZSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1286822174 BSJKSIBEJIIIEZ-PKOBYXMFSA-N 430.593 4.949 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1 1287305892 BCGQEOFWVLUCOT-FGZHOGPDSA-N 435.597 4.966 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)c1 1298484281 QYJNRYPQNGKMJV-HXUWFJFHSA-N 434.561 4.555 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCOC1CCCCCC1 1300444191 ULOIHNXHGQJIMJ-UHFFFAOYSA-N 448.567 4.926 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 1300477471 JUHLSCKCJDCEBJ-MAUKXSAKSA-N 437.378 4.830 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H]1C(C)C 1300643808 USJWAPJMCMJFAD-NZQKXSOJSA-N 436.531 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300872276 APLDHIHNKQQBFG-VABKMULXSA-N 449.599 4.582 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1301249695 XCKIBHOJPVHGOS-OAQYLSRUSA-N 425.602 4.597 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1OCCC1(C)C 1301339023 CSYLHYXJKBOYMT-HSZRJFAPSA-N 442.567 4.528 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCCC3(CCOCC3)C2)nnc1C(C)(C)C)C(C)C 1301367610 RECMHKXVHCJYFP-QFIPXVFZSA-N 443.680 4.671 30 10 IJEE CSC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C#N 1302515395 GPTHXRKTMDICMH-LLVKDONJSA-N 428.425 4.507 30 10 IJEE C=CCn1c(SCC[C@@H]2Sc3ccccc3NC2=O)nnc1-c1ccc(OC)cc1 1307252105 JSTYJAHZNVPJOH-IBGZPJMESA-N 438.578 4.735 30 10 IJEE N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccco1)c1ccccc1 1307311924 HRSRSRBHZCNJFP-LJQANCHMSA-N 432.480 4.694 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc2ccccc2n1 1309139591 RWJBFIRHIRQZFH-UHFFFAOYSA-N 435.318 4.513 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccco1)C[C@H]1CCCO1 1310862254 GKBVLBYMFRIMOB-QGZVFWFLSA-N 435.318 4.820 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(Cl)cc1 1311955024 TXNZDOGANUOSEI-PMACEKPBSA-N 433.980 4.787 30 10 IJEE C#CCN(C(=O)NC[C@H](C)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1312472519 XLZATKFTPLSTET-JXFKEZNVSA-N 427.342 4.721 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1)c1ccc(Br)cc1 1312937402 PUCHPXZNMZFSOS-OXQOHEQNSA-N 433.296 4.991 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 1313001290 JKRHCKLKVQFSIS-FUHWJXTLSA-N 435.366 4.585 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1314284619 GRQIKCQUVPIRFC-RTWAWAEBSA-N 441.645 4.990 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccccc2)C1 1321789303 RBCCRYMCISOXDR-FYYLOGMGSA-N 432.568 4.865 30 10 IJEE C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)C[C@@H](C)O1 1353138394 BWXSQQAKNNDKRT-QZTJIDSGSA-N 428.492 4.611 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1358934607 GYOKQEJCVANXFF-UHFFFAOYSA-N 435.597 4.728 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCCN1CCCC[C@@H]1C 1359015193 LDKPAOIZZZXMDS-SFTDATJTSA-N 425.596 4.835 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1359015433 SPLZGYIWWSNOCB-RXFWQSSRSA-N 439.623 4.865 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1359052018 RGDBNQUAMWBPSS-HXUWFJFHSA-N 430.568 4.746 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@](C)(CC)C1 1359211964 VFWWRAAAAWPGMO-NRFANRHFSA-N 449.393 4.688 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1359248981 JTSMKFJLCINRAW-PMACEKPBSA-N 432.616 4.728 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(C(C)(C)C)CC1 1359285157 KKBCUPSLKLRZBL-UHFFFAOYSA-N 432.410 4.513 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(F)(F)F)C1 1359324998 WCKNCTRBTYIFJS-KRWDZBQOSA-N 447.505 4.720 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F)cc1 1436239655 QRNZVALFAJSUFT-ZWKOTPCHSA-N 438.446 4.792 30 10 IJEE C#C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1)c1ccc(F)cc1 1436642764 ANPRGEJHBSSUOL-RUZDIDTESA-N 439.490 4.850 30 10 IJEE N[C@](C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)(c1cccc(F)c1)C(F)(F)F 1457809074 HOSZAKHHKZELNS-LIRRHRJNSA-N 448.382 4.967 30 10 IJEE C=CCN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)Cc1cccc(C#N)c1 1459393554 CKOGNPVNAGJNTI-MHZLTWQESA-N 427.523 4.933 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)CC1 1465492237 MBTXJAIDHUGDEP-UHFFFAOYSA-N 426.538 4.544 30 10 IJEE CCOC(=O)c1c(NC(=O)NCC(C)(C)c2ccc3ccccc3c2)c(C#N)cn1CC 1466883363 GPKOMOOXTRFMGZ-UHFFFAOYSA-N 432.524 4.809 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 1472780360 BINJTNSUHOFSAA-FQEVSTJZSA-N 432.955 4.868 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 1475251764 YNOCJYAGBFVYPZ-JOCHJYFZSA-N 447.000 4.808 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCC)c1ccc(Cl)cc1 1475365628 GWVVWLJBAMDTBH-MRXNPFEDSA-N 442.762 4.544 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)ccc1Cl 1475720149 GBDZVZLYOJOKMB-SFHVURJKSA-N 438.774 4.804 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C)c1ccc(Br)cc1 1476531854 YUGAKKNTJCVNNS-KRWDZBQOSA-N 445.267 4.624 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC(CN(CC)C(=O)OC(C)(C)C)CC3)cc21 1477135434 YSGBJEOXIPEPQJ-UHFFFAOYSA-N 441.576 4.723 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@H]2C1 1507595867 YFHHNIUTWNGGID-QFBILLFUSA-N 449.382 4.583 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1507879587 DTLSDSJMTJXNAJ-QGZVFWFLSA-N 444.421 4.655 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1507881667 POZONCOFKKCVTO-YJBOKZPZSA-N 442.457 4.681 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCOC[C@H]2C)CC1 1507897862 UAHBGQHTGYKUAE-WSTZPKSXSA-N 428.552 4.632 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507943272 CPQRMECSWMMIDB-INIZCTEOSA-N 449.958 4.807 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccc(F)c1 1507965967 SWLQEELJRKFIPL-NRFANRHFSA-N 441.576 4.707 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1508049878 LOQBKIYTVHOCCQ-ZWKOTPCHSA-N 431.378 4.678 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1514334451 GEJVLTGIPHFCCL-ZDUSSCGKSA-N 434.491 4.965 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1 1514993174 FTNFMTKLWKAGHX-SANMLTNESA-N 431.532 4.831 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)CCCN1C(=O)OC(C)(C)C 1520560273 JTYBJLQJDUWZBM-JHQQDIAJSA-N 429.586 4.778 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nnn(-c3cccc4cccnc34)c2C)C(F)(F)F)cc1 1521343832 KYNDLYLRLOJOLX-OAQYLSRUSA-N 436.393 4.566 30 10 IJEE C=CCOc1ccc(COC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)cc1 1521897938 DPJKXTAODYIFER-NRFANRHFSA-N 430.342 4.894 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21)c1ccccc1 1523546796 MRXUXWNPBYCHBP-HSZRJFAPSA-N 440.609 4.746 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)cc1 1523871428 OLNAEJGCTYRXQG-MHPIHPPYSA-N 427.541 4.783 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@@H]2C)c1 1524421267 RAGBJDDPCIXWJE-PKOBYXMFSA-N 447.000 4.887 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1ccccc1 1526053700 PTOSCQQWYQEXLO-HSZRJFAPSA-N 440.971 4.530 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C)C(C)(C)C 1532928750 GLDDWTVPRJDRTI-UHFFFAOYSA-N 444.597 4.646 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3c(s2)CCc2sccc2-3)CCCN1C(=O)OC(C)(C)C 1535443448 BFTFLNHNCUBXLH-QFIPXVFZSA-N 443.594 4.702 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1)C(C)(C)C 1535510455 RLQHWMXHOLBFAC-IBGZPJMESA-N 432.442 4.501 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)c1ccccc1 1537430375 FCQZTSRHBHMSLK-QFIPXVFZSA-N 431.536 4.660 30 10 IJEE CCOC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)nc1C 1537511854 DFGNUNUSJKGEOX-UHFFFAOYSA-N 433.895 4.939 30 10 IJEE C=C[C@@H](OC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC)c1ccccc1 1538938503 LICHXNCXTGVHNF-JOCHJYFZSA-N 427.456 4.576 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C(C)C)C1 1539079194 PGZDXRIRTBLGEO-DEOSSOPVSA-N 438.616 4.954 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccccc1OCCN1CCCC[C@H]1C)c1ccccc1 1539185216 AIKPUTGRQGVBOB-KEEVHDRGSA-N 426.582 4.793 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H](c1ccsc1)N(C)C 1539384981 RIAVPVBDSOGCGS-XMSQKQJNSA-N 439.604 4.935 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1CC 1540028069 IQNQHVPIEDIQLE-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1540112643 YUUXPVLCENJUPD-RXFWQSSRSA-N 437.632 4.543 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CCc1cccs1 1540120583 TWMYIOANMBKORH-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1cccc(COCC(F)(F)F)c1 1540140490 WTHGFFSSUKUMOO-UHFFFAOYSA-N 436.503 4.968 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1540171622 COPWXNRMQITJFS-DHLKQENFSA-N 429.568 4.610 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 1540546883 MXJNCNWETDVQHH-MRXNPFEDSA-N 449.960 4.975 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCc1cccs1 1540856008 LOFDEIWMFOVGJU-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=C(CC(C)C)C(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1542063123 BXHWIHWVCDREGV-INIZCTEOSA-N 436.478 4.563 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1543709142 RUZOTDZLTFBNNH-UHFFFAOYSA-N 442.346 4.667 30 10 IJEE CN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C 1554181712 CXZSUMVOVSNSAB-NRFANRHFSA-N 448.621 4.879 30 10 IJEE CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](CO)c1cccc(Cl)c1Cl 1557390849 ANKPSGLIIXRVLQ-LJQANCHMSA-N 445.302 4.843 30 10 IJEE C=CC1(CC(=O)NCC/C=C\c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1557655113 HCOIEFLUZQWHGZ-VURMDHGXSA-N 449.389 4.782 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 1557661145 JEJVOGTUDPTBAJ-NRFANRHFSA-N 438.593 4.515 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)C(=O)OC 1559310127 RENQIIYIZGMHTB-OAHLLOKOSA-N 448.342 4.559 30 10 IJEE CN(CCOc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F 1561468275 AMEQPKSZRKLHID-UHFFFAOYSA-N 445.356 4.563 30 10 IJEE C#CCOc1ccc(NC(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 1562370820 QGTYWVMJSMBRKP-VWLOTQADSA-N 431.580 4.853 30 10 IJEE COc1c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(Cl)cc1C(N)=O 1562783520 CYEDVPOKDKRRDB-AWEZNQCLSA-N 448.910 4.869 30 10 IJEE C=CC(C)(C)CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1564769252 LNLGIYBIGDINHQ-SFTDATJTSA-N 445.604 4.690 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 1568336712 AFIVKDCSYZRDMO-OKZBNKHCSA-N 437.378 4.671 30 10 IJEE C#C[C@@H](NC(=O)CCC(=O)c1ccc(OCC)c(OCC)c1)c1ccc(Cl)cc1F 1568895107 PFEWLOHJPXKHDC-LJQANCHMSA-N 431.891 4.730 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cc(COC(C)(C)C)on1 1587567876 LFTCSAPVUSFNLM-LJQANCHMSA-N 447.583 4.557 30 10 IJEE C#CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccccc1Br 1587898089 GOEXIKOFJDFBQX-UHFFFAOYSA-N 439.361 4.861 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)[C@H](C)CC 1587909393 JYQLOGPUDPQPPM-IEGUWTFLSA-N 432.996 4.555 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1589028155 ZYFVDBUGCYFGCI-OAQYLSRUSA-N 426.630 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCn1cccn1 1589506013 QOAHCGGWZMAWKV-GMAHTHKFSA-N 448.615 4.557 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)(C)CC1 1589568704 LGDQWQXMHKWDIW-XMSQKQJNSA-N 428.552 4.604 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(CC)C(C)C 1589580324 NOYPUDRLISQDMV-PGRDOPGGSA-N 430.618 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1=CCCCC1 1589652670 YFISQRUUHJCSCW-UHFFFAOYSA-N 446.599 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCO[C@H]1C(C)C 1589687917 TUGJMUKEPFRVMJ-URXFXBBRSA-N 426.605 4.937 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCCOC)CC1 1594437032 HUEJWZMUPBPYJU-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CCOCC)CCCC1 1594885985 URSHYIMBUMCBEG-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@H](C)C1 1595166256 RSFFYVOODSKAKR-BNDYYXHWSA-N 430.618 4.692 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1595219542 WBOLTYWZDLKCHT-LJQANCHMSA-N 443.636 4.835 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1595282833 KRHORJQYYMADLG-CYFREDJKSA-N 446.039 4.748 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)C2CCC(C)CC2)cc1 1595639449 AIGINWUABTYBMQ-UHFFFAOYSA-N 431.584 4.892 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2cc(Br)ccc2C#N)CC1 1612064180 MQOJYPJUYXVBCU-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3ccccc3)c3ccccc3OC)n[nH]2)c1C 1616918605 PUJUDPRSEXSBKI-RUZDIDTESA-N 441.535 4.604 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](c2cccc(Br)c2)C1 1618026491 DAEQOBRKXSYHFN-XJKSGUPXSA-N 432.749 4.791 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)C1 1618799464 XUKWWIQBMLGDEH-IBGZPJMESA-N 438.593 4.882 30 10 IJEE C=CC1(CC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1626218465 HQDLUNMDIZMQMB-UHFFFAOYSA-N 436.955 4.940 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 1626506064 RADSPLDYIRZBES-SFTDATJTSA-N 428.573 4.616 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc2ccc(C(F)(F)F)cc2nc1O 1629607574 WJIFRKFHYCVWFJ-UHFFFAOYSA-N 438.327 4.760 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)N(Cc2ccccc2)c2ccccc21 1634318760 JEQDMXYPCQKHLC-IRLDBZIGSA-N 447.579 4.735 30 10 IJEE C#C[C@H](CCC)NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1635835755 VFTANABBGWSEGH-LJQANCHMSA-N 430.548 4.756 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(CC#N)CC1 1638374980 BPOKTUGHJVFEOD-VWLOTQADSA-N 445.563 4.702 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 1642465364 RSZACOAMYXTLGA-QHCPKHFHSA-N 431.923 4.543 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(c3ccccc3)CCCO2)cc1OC 1651601340 MKHDRNICXXEGRS-QFIPXVFZSA-N 432.358 4.818 30 10 IJEE C=CCn1c(SCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)nc2ccccc2c1=O 1651611927 VXJKRKKBLQSUHV-UHFFFAOYSA-N 447.604 4.989 30 10 IJEE C#CCOc1ccccc1CNCCOc1ccc(Br)cc1C(F)(F)F 1656030317 CGIOCFHENJHANP-UHFFFAOYSA-N 428.248 4.649 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)C1 1657604034 LBWCEGQSHMLMBX-IBGZPJMESA-N 427.570 4.722 30 10 IJEE CC#CC[C@@H](CO)NCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 1657605598 XYIPVNQHQWOQCM-HNNXBMFYSA-N 426.713 4.898 30 10 IJEE CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1659133010 GDFBWNHFUPZPMN-HXUWFJFHSA-N 436.512 4.825 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 1659604539 OHFXHONZNLAMLR-UHFFFAOYSA-N 427.476 4.549 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(F)cc(OC)cc1F)c1ccc(C(F)(F)F)cc1 1662980713 IEIYUKUIJRPQQM-QGZVFWFLSA-N 435.414 4.978 30 10 IJEE Cc1cc(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)ncc1C#N 1663853360 DAVCKXXLUDMMQG-NRFANRHFSA-N 445.523 4.802 30 10 IJEE C#CCN(Cc1ccc(OC)c(OC)c1C)[C@@H]1CCOc2ccc(Br)cc21 1663979403 HUTFXOYHQUFPNT-LJQANCHMSA-N 430.342 4.734 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1 1667099938 QZIKAIYMIWEGCS-RTWAWAEBSA-N 433.508 4.560 30 10 IJEE CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cc(OC)c(C#N)cc1F 1671933386 FGTPIKNPMZDHNC-UHFFFAOYSA-N 443.866 4.853 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC)C[C@@H](O)c1ccc(C)cc1 1672209399 CLMVZTKGELRSKZ-LJQANCHMSA-N 433.346 4.910 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(Br)s1)c1ccc(Br)cc1 1674025810 NEORGNHYQWLVRI-CQSZACIVSA-N 442.176 4.789 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc(OC)c1OC 1677252349 JPYZEEZDHZTEPK-UHFFFAOYSA-N 446.551 4.954 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@H]1CCCc2ccccc21 1678140587 OWHDKDOZXKVOAD-IRLDBZIGSA-N 437.971 4.650 30 10 IJEE C#C[C@H](NC(=O)NCc1cnc(-c2ccccc2)s1)c1ccc(Br)cc1 1679680409 JHWOOVNURFVSKA-SFHVURJKSA-N 426.339 4.746 30 10 IJEE C[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 1679702285 CGCANKGXSVEDTD-HXOBKFHXSA-N 448.567 4.889 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)c1ccc(Cl)cc1F 1682368325 YXDFQHJOAZAIPI-QGZVFWFLSA-N 439.687 4.823 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](CC)C1 1689880945 ABORXALRFYFHAU-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CC1CCC(F)(F)CC1 1690089867 PEATVGZBZDAGDW-UHFFFAOYSA-N 427.474 4.878 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1690165732 IJVHZMLAFPGPNK-NRFANRHFSA-N 436.581 4.817 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2c(Cl)cccc2C1 1690178656 DFWCJVHTWZYKRC-UHFFFAOYSA-N 429.014 4.513 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccccc1 1690185654 CAINKFUTSCIWRZ-CEWLAPEOSA-N 426.630 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1690244361 WOVXOTWUTBTGMM-YVHKJVDXSA-N 439.510 4.797 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](CCOC)C1 1690304607 IHPONQOMNCNOMI-LJQANCHMSA-N 444.645 4.731 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@H]2C)CC1 1690384480 SNGSHHZHJUTBOZ-WCIQWLHISA-N 429.609 4.641 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1690447646 UPKKMOWLVZJLRS-NRFANRHFSA-N 426.605 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C 1690569729 MBGRKLUIWZQUEM-REWPJTCUSA-N 435.547 4.733 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cccs2)C1 1690686701 RZURMVMZUXHQOK-QFBILLFUSA-N 444.988 4.963 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)cc1F 1692348697 DOKLXBIXOZURKG-UHFFFAOYSA-N 440.954 4.871 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1coc(-c2cccs2)n1 1705501551 JSWYLMBEMSTVFE-QGZVFWFLSA-N 447.564 4.642 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1705502549 XHYIFJSZSNIDBQ-RXVVDRJESA-N 442.991 4.850 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1705512266 XRDUBAPMABLPAN-LJQANCHMSA-N 435.959 4.800 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1705537864 UAZRMODSQAAOKP-UHFFFAOYSA-N 439.673 4.850 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nc(C(C)C)cs1 1705544254 JWEDVHHTDXKMDC-UHFFFAOYSA-N 448.365 4.544 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1705558311 RQTBHZNKRPWSHZ-IBGZPJMESA-N 446.064 4.661 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)CCC(C)C 1705607058 OSNLCEVANBDXHF-MHECFPHRSA-N 428.646 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)CCOc1ccccc1Cl 1705693631 IYQFUQBMQXWNCU-UEXGIBASSA-N 432.996 4.941 30 10 IJEE C=C(Cn1c(C2CC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1705741910 CUGOORKAPADQHX-UHFFFAOYSA-N 437.588 4.610 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CC2CCN(CCC(C)C)CC2)CC1 1705766807 PEIITSKPXDAIFC-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(N(C)C)CCC2)CC1 1705776736 ODAYZAPGSHUVGK-NRFANRHFSA-N 437.632 4.922 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCCC[C@H]2CC)CC1 1705784996 RQEBSZRJISACGW-HSZRJFAPSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)nnc1C(C)(C)C 1705802208 DQPAJAZMFPKAGD-UHFFFAOYSA-N 444.023 4.680 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1705806686 JYRJJWVCMDEJMA-UHFFFAOYSA-N 435.403 4.930 30 10 IJEE C=CCCCn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1705824692 XZBOMGADSGZZLR-LJQANCHMSA-N 447.549 4.787 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1705888235 MFKXXMPRJWCGGI-KRWDZBQOSA-N 437.544 4.618 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@@H]21 1705949891 MEZKDCSDFCUSFO-QYZOEREBSA-N 447.649 4.648 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)Cc1cccs1 1706077022 FPKSHASJPYZFND-QZTJIDSGSA-N 432.597 4.886 30 10 IJEE Cc1cccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1707309710 BKKOUANOJCZTDU-CPJSRVTESA-N 430.556 4.555 30 10 IJEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1708036667 DDAJWKWELPCSMY-AOMKIAJQSA-N 447.505 4.537 30 10 IJEE CCCN1CCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1709798334 CVWDVAAJFSBZMQ-PPJWLVRDSA-N 434.632 4.824 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H]2CCC[C@H]2CC)c1 1722310488 WQKWDSJBYXMASQ-IRLDBZIGSA-N 433.600 4.818 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCS[C@@H](CC)C1 1722312693 JZERVAPKQZHWPF-INIZCTEOSA-N 433.419 4.843 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCN(CCC)CC1 1722326049 CNOIOZBNZGWESC-LJQANCHMSA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(COC)CCC1 1722406382 XTROYTGLFLBFLK-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](CC)C1 1722454665 OHTFCGQOAZBCSQ-IBGZPJMESA-N 442.629 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722496252 WIROZKLAGATQAJ-HXHBTQRASA-N 426.630 4.819 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722520658 DJPCYJATPWWOJX-NRFANRHFSA-N 435.616 4.561 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1722533839 CKAHCIVDUBISHU-FQEVSTJZSA-N 439.629 4.665 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1722560852 FJKGWBULIXSQOE-QGZVFWFLSA-N 429.565 4.506 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(C)CCCO2)CC1 1722570279 YBNUDKWATKEUBI-NRFANRHFSA-N 437.371 4.889 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)C1 1722584853 YOUNOENCWRXFJJ-QFIPXVFZSA-N 437.632 4.727 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1722660491 WTKGTUHBWXGDCM-DEOSSOPVSA-N 443.636 4.705 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H](C)C1 1722673659 ZIBPVABVVPMPKE-JTHBVZDNSA-N 431.584 4.699 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1Cc1ncc(CC)s1 1722676250 WAIGRTVZEICIGS-UHFFFAOYSA-N 437.544 4.980 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC2CCCCC2)CC1 1722681532 YSIBTSFUHNOREG-QFIPXVFZSA-N 437.632 4.923 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCCN(Cc3ccccc3)C2)o1 1724287366 DLDUVZYXZYFEAN-REWPJTCUSA-N 446.599 4.745 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)s1 1727432286 FCTRKRVTENCCNU-UHFFFAOYSA-N 438.601 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](OC)C(C)(C)C 1740542569 ACKZTOALMYVTJF-KNQAVFIVSA-N 426.605 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1740555894 CLIFVZNFXMPILJ-BBTUJRGHSA-N 430.980 4.564 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1740593089 RJSKPCJWGNKLEB-YADHBBJMSA-N 437.607 4.512 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1ccsc1 1740665109 PKEQPNCYTBEFKP-FQEVSTJZSA-N 435.380 4.681 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1740717241 MYIFFGDVECYUTK-QFIPXVFZSA-N 435.641 4.564 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740719648 PLRQIARBXUSKKQ-ZWKOTPCHSA-N 430.568 4.530 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740739832 BMKLVCGMLQNEFE-OAQYLSRUSA-N 449.393 4.504 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1740788689 ZIKYZHKWYPFFAI-PXNSSMCTSA-N 432.515 4.908 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCOC)Cc1ccccc1 1740816280 ANEAEFGLDFWOKT-WOJBJXKFSA-N 432.996 4.602 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(O)(CCC)CCC)CC1 1740819020 APCCPKHSJFGRGK-UHFFFAOYSA-N 436.398 4.523 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740849638 QHWMCPXDBPCXEN-QFIPXVFZSA-N 435.547 4.583 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1CC 1740862133 KTXKHCWUUBLOHK-IBGZPJMESA-N 434.588 4.971 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCc2oncc2C1 1740869287 IIUZKHMOATTZFM-UHFFFAOYSA-N 448.752 4.878 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740897270 AOYPSGYXVTTXHG-LJQANCHMSA-N 434.588 4.733 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(N(C)C)CCCCC1)C1CC1 1740907918 DBBLEFZONHGGNV-UHFFFAOYSA-N 445.558 4.966 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cnn(CC(C)C)c1C 1740922072 SOWSHMRZJOBHOT-UHFFFAOYSA-N 447.612 4.803 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)c1ncc(C)s1 1740935051 AEUHRXXGRCDUAX-NQIIRXRSSA-N 437.613 4.586 30 10 IJEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCSC2(CCCCC2)C1 1740948834 JVYSUJXKUDKWPM-UHFFFAOYSA-N 428.602 4.698 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](OC)c2ccc(Cl)cc2)C1 1740980596 QJIPIAZXNSSQNW-RTWAWAEBSA-N 430.980 4.758 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1748657781 JGJHBMSLWVIRDK-JXHRLWIKSA-N 431.584 4.793 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1748702722 BRJUUQBGTOUTRH-FQEVSTJZSA-N 444.526 4.603 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCCC(F)(F)C1 1748856199 SZXHGKMBUVMNFQ-NRFANRHFSA-N 440.538 4.762 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCc2c(F)cc(F)cc2C1 1749106402 CLGMSAFHDPYMND-UHFFFAOYSA-N 437.332 4.760 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1749120627 GTPHRSDUBFOUEE-CTNGQTDRSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749128116 SFIAGIXREXCCJG-WIYYLYMNSA-N 428.602 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(N(C)C)CCSC1 1749144218 UCMPVRFVDNFHLD-DEOSSOPVSA-N 439.673 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1749146754 MCYOOKJXUWQDMG-GJZUVCINSA-N 438.616 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N[C@@H](C)CC 1749146930 SFMAMMRACDPMNN-MSOLQXFVSA-N 443.661 4.839 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)nnc1C1(c2ccccc2)CCC1 1749207199 FQMNUASKTNKHNX-VXKWHMMOSA-N 449.643 4.845 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1749211276 WMWWJESCFASWBS-ZWKOTPCHSA-N 447.649 4.716 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1749246798 OJXICQTUDIWZSL-UHFFFAOYSA-N 437.613 4.600 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1749293772 GMVAIXWRXIFNMG-DEOSSOPVSA-N 437.632 4.867 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749391772 SMQXWDJKGFVBQU-IBGZPJMESA-N 427.568 4.640 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1749392887 CFOHRQKNQJLSFC-OAQYLSRUSA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](SC)C(C)(C)C)C1CC1 1749515026 PGJAKCQBJHSBKC-HXUWFJFHSA-N 428.602 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1ccc2[nH]c(C)cc2c1 1749544486 INYIMSBEYCUEIJ-UHFFFAOYSA-N 448.596 4.508 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC(C)C)CC1 1760254658 FDAXBOAFFYDESS-UHFFFAOYSA-N 428.005 4.615 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1760275366 WIDBMXMISPNOKI-QKLQHJQFSA-N 431.005 4.817 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H]1CCCCN1CCC 1760298114 WCSZSFJWHNHWNY-YIXXDRMTSA-N 449.643 4.676 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1760378168 AQOLMFMSMLQVHL-SFTDATJTSA-N 445.007 4.869 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1760381624 SVMKQZCFWQEKNA-OFVILXPXSA-N 437.588 4.651 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(C)C)C1)c1ccccc1 1760420676 TZHDJIDTUKPMLE-LWSSLDFYSA-N 438.616 4.844 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1760432450 MDSKLCFFWNHYIZ-QGZVFWFLSA-N 428.577 4.810 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](OCCOC)C1 1760434317 WPJNCYPCVONLIE-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc2ccccc2s1 1760489681 YNWMHBHHTUIYGG-XMMPIXPASA-N 438.597 4.760 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CSCCS1 1760501864 FZARDKFBPMXDJO-HXUWFJFHSA-N 446.686 4.730 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H]2C)CC1 1762840108 HETDTMIEEVTVRM-GBXCKJPGSA-N 434.632 4.810 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1772555072 IGOPQFOHVGHSIN-FQEVSTJZSA-N 447.574 4.925 30 10 IJEE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(N)=S)CC(C)(C)C3)cc1 1772729652 ZIJGGKBRGVXIIF-UHFFFAOYSA-N 442.585 4.529 30 10 IJEE Cc1cc(=O)c(OCC(=O)OC2CCC(C(C)(C)C)CC2)cn1Cc1cccc(C#N)c1 1857916013 ZWMJQPLWESSNGH-UHFFFAOYSA-N 436.552 4.604 30 10 IJEE COc1ccc(CC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cc1OC 1860461727 OFLLEXPDBBGDAL-UHFFFAOYSA-N 449.894 4.662 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc([N+](=O)[O-])c1 1862460565 MUVWGYCKZXNABS-LJQANCHMSA-N 448.397 4.637 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Br)cc2)cc1 1862540749 VCEGQOXXIWNFLX-LJQANCHMSA-N 428.326 4.998 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2F)cc1 1862662969 OJTRIDUTTKODIW-QHCPKHFHSA-N 447.510 4.814 30 10 IJEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 1862664342 HYJXTCPJLWBQGW-XMMPIXPASA-N 448.563 4.648 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862672323 AIDSWWVIZJGYOI-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(O)c2)c1 1862699196 RVBINQZEAJEYNQ-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(F)c2)c1 1862702642 IKVJWUGBUICNGP-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(F)cc2)c1 1862702811 MWQABTBMASKNGT-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(F)c1 1862724681 REGNVNIHBROVPZ-XMMPIXPASA-N 444.506 4.633 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862981200 MQJPLJDDDGROQG-UHFFFAOYSA-N 448.482 4.615 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cc1 1867185489 VWZDNHBCARZDHV-MGPUTAFESA-N 429.973 4.582 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868399055 YRXNIBYNFGDHHR-JOCHJYFZSA-N 430.531 4.677 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C(c1ccccc1)c1ccccc1 1870139370 MRUQNVIGSUYSTK-UHFFFAOYSA-N 447.420 4.928 30 10 IJEE O=C1/C(=C/c2cccs2)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 1871434785 XPKTWEKVFCIZDB-UKWGHVSLSA-N 437.429 4.718 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)Nc1nccs1 1871442342 LJRXVGIGLGMCOY-MFOYZWKCSA-N 430.844 4.569 30 10 IJEE Cc1cc(OC[C@H]2CCCO2)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871449874 AUAFCTHABWQLRB-BZGLTBHUSA-N 428.868 4.689 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4C)c3C)C2=O)c1 1871453489 APHRTPRUNPTULC-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871764031 LDMGABYNJZGAPK-OAQYLSRUSA-N 444.597 4.605 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871940540 HWTZALKPNLHLKR-CYBMUJFWSA-N 445.343 4.727 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871983486 HRHWACKIHOXICG-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872098505 JEFYPIFQTKGBSX-QHCPKHFHSA-N 439.581 4.625 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccccc1 1872102067 LORGYBGEMSHSAB-QFIPXVFZSA-N 425.554 4.542 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)cc1 1872103423 TVXPUDJAKDPUMO-QHCPKHFHSA-N 439.581 4.851 30 10 IJEE C=CCN(CC=C)c1nc(Nc2cccc(C(=O)OC)c2)c2cnn(-c3ccccc3)c2n1 1873481917 XPJJPIMCXYKOAG-UHFFFAOYSA-N 440.507 4.524 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCCCn3ccnc3)ncnc21 1873640293 LPMSOYFFVWJVDR-UHFFFAOYSA-N 449.946 4.530 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCCCCCCO)ncnc21 1873642813 LVILTQWLOQMQHW-UHFFFAOYSA-N 441.963 4.796 30 10 IJEE COc1ccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c(OC)c1 1874215492 POLRTLRFCINEGP-FOKLQQMPSA-N 446.960 4.749 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OC)cc1OC 1874230549 OZCVONLXPWGUNK-FSJBWODESA-N 446.960 4.830 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874331524 QRVAPTFWNCHAHY-PCLIKHOPSA-N 436.581 4.858 30 10 IJEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccn1C 1874362776 WDAYDOYSIZJWHY-LGUFXXKBSA-N 429.593 4.927 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1F)Nc1ccccc1F 1874425993 LURFWORRCXFWOU-VULFUBBASA-N 449.486 4.836 30 10 IJEE COCc1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874501433 HEAOEFVAJXHSAI-UFFVCSGVSA-N 435.322 4.501 30 10 IJEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C)cc(C)c1OC 1874585688 AJSOMZVOASWBRD-FNORWQNLSA-N 433.298 4.522 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 1875112816 QCOFQVCUOKCKMT-LICLKQGHSA-N 432.472 4.974 30 10 IJEE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C#N)c1sc(Cl)cc1I 1889589993 YKTTTXMXBAELIK-JTQLQIEISA-N 438.718 4.970 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1937518462 AFTCCAUVUZOYAJ-LIRRHRJNSA-N 435.487 4.715 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1949122201 JOCWSQUSLPZDKE-KKSFZXQISA-N 436.557 4.901 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(I)cc1[C@H](C#N)C(F)(F)F 1952254163 RUOOIIMYJXUMGH-JTQLQIEISA-N 426.176 4.808 30 10 IJEE C=CCC1(NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 2022165730 HVQCGBOOSBZQQJ-QHCPKHFHSA-N 437.625 4.569 30 10 IJEE C[C@H]1CC(=Cc2ccccc2)c2nc3ccccc3c(C(=O)OCC(=O)NCCC#N)c2C1 2041663594 IOARUMSNYWUBRI-SFHVURJKSA-N 439.515 4.544 30 10 IJEE CC[C@@H](c1ccc(C)cc1F)n1nc(C2CC2)c(/C=N/O)c1I 2079069980 ZDKMPOHTRNNURS-FULVDIRDSA-N 427.261 4.620 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)c(F)c1 2080086542 CVSTWGMZYAWUGE-OAHLLOKOSA-N 432.240 4.929 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083815218 CEIGOGJVXSBKKV-BKMJKUGQSA-N 444.616 4.552 30 10 IJEE CC1(C)OB([C@@H]2[C@@H]3CN(Cc4ccc(Cl)c(Br)c4F)C[C@@H]32)OC1(C)C 2110460751 IABRUYPAPYVSII-DABQJJPHSA-N 430.554 4.766 30 10 IJEE CCN(CC(C)(C)CNC(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2118194052 HZLXCIJMOBWGRM-UHFFFAOYSA-N 428.346 4.837 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CO[C@@H](C(F)(F)F)C1 2129096424 IKGZGHRIBVQFBG-CZUORRHYSA-N 435.240 4.804 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CO[C@H](C(F)(F)F)C1 2129108424 ZJBKDRUDVOEGHG-XJKSGUPXSA-N 435.240 4.804 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@@]34CC[C@H]3CCCN4Cc3ccccc3)cc2)OC1(C)C 2151199713 STNQMBGFRSIRTE-YWEHKCAJSA-N 446.444 4.520 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 2159126170 RZITYPYNVNSRHR-IAGOWNOFSA-N 441.414 4.574 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2163696916 BSOOEUNNAUBPHH-UWJYYQICSA-N 428.349 4.951 30 10 IJEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(C#N)cc1Br 2181147755 NWCDGZSFHORYTO-MRXNPFEDSA-N 438.366 4.835 30 10 IJEE Cc1ccc(C#C[C@@H](N)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223371010 WUMSMUNHGVFUFT-SQHAQQRYSA-N 434.580 4.518 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2224253036 KIZRPXJXTDYIFB-PBHICJAKSA-N 429.403 4.737 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CCC 2232466272 LBTBAJKHRXVNFT-YJBOKZPZSA-N 443.430 4.956 30 10 IJEE CC(C)[C@](NC(=O)OC(C)(C)C)([C@@H](N)C#Cc1ccccc1Br)C(F)(F)F 2235717781 BVGASDKPDFJEHD-YJBOKZPZSA-N 449.311 4.610 30 10 IJEE CC[C@@]1([C@H](C#Cc2ccccc2Br)NC)CCCCN1C(=O)OC(C)(C)C 2235722217 CFQSRHSTIBLRRY-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CC[C@@](NC(=O)OC(C)(C)C)([C@@H](C#Cc1ccccc1Br)NC)C(F)(F)F 2235723365 KPNPLHABDFZPEA-CRAIPNDOSA-N 449.311 4.624 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2235748281 YCHZAPHNLSEPJG-OALUTQOASA-N 433.390 4.711 30 10 IJEE CC1(C)OB(c2cccc(Cl)c2C(=O)N(Cc2ccccc2)CC(F)F)OC1(C)C 2247843649 OFVXDCUIZFRXMX-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE O=C(NCCCCC[C@@H](O)C#Cc1ccc(Br)cc1)OCc1ccccc1 2253290130 KSQKIYXUHFNKHO-OAQYLSRUSA-N 430.342 4.648 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2255856053 WAZOXFSICNKSMK-NCYKPQTJSA-N 427.394 4.701 30 10 IJEE Cc1cnc(C(=O)Nc2cccc(OCc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2282648935 UMDHZIPDHDSKOR-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CC1(C)OB(c2cc(N[C@@H]3CCN(Cc4ccccc4)C4(CCC4)C3)ccc2N)OC1(C)C 2283025788 UGQYURMOVGVBHM-JOCHJYFZSA-N 447.432 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)C#Cc2cccc(Br)c2)C12CCC2 2296224638 MICMOORAEWGHOM-APWZRJJASA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](C(=O)C#Cc1ccc(Br)cc1)C2 2296227460 OUWHKJZWKJLUSE-LNLFQRSKSA-N 432.358 4.653 30 10 IJEE CC(C)[C@@](NC(=O)OC(C)(C)C)([C@H](N)C#Cc1cccc(Br)c1)C(F)(F)F 2296274526 UUTRQRCWZVNJKR-CRAIPNDOSA-N 449.311 4.610 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C 2296278450 DRKSZOGUJNPDCB-DENIHFKCSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(O)C#Cc2ccc(Br)cc2)C1 2296281724 NURWZVRRSYXOQC-KPLVRAHFSA-N 434.374 4.589 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 2296760884 NPOASZLNGVPQFF-HXUWFJFHSA-N 449.532 4.605 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccco2)c1 2296945738 CNOTUXLAJJLDPQ-FQEVSTJZSA-N 446.484 4.833 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2302617225 GHNASIVLWQBKPV-IERDGZPVSA-N 436.557 4.996 30 10 IJEE CN(C)c1ccc(C=C2SC(=NN=Cc3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 2314818118 ACTTVGHSZXFOOP-UHFFFAOYSA-N 448.523 4.991 30 10 IJEE OCCCSc1nnc(C2CC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2320882196 PBQKWCGROLRWIO-UHFFFAOYSA-N 442.972 4.745 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)C1 2321284714 IHRMTCQXWXFJLS-CYFREDJKSA-N 445.560 4.655 30 10 IJEE CC(C)[C@H]1C[C@@](O)(C#Cc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321508893 SWJDUUXQBGSNAM-GGAORHGYSA-N 442.353 4.599 30 10 IJEE CCOc1cc(C=NNc2nc(-c3cccc(OC)c3)cs2)cc([N+](=O)[O-])c1OCC 2323850934 YIFZRNRRWAFNKN-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE O=C1C(=Cc2cccs2)Oc2c1ccc(O)c2CN1CCN(c2ccc(F)cc2)CC1 2324036871 FCOCZMQCBUTOIN-UHFFFAOYSA-N 436.508 4.531 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c1 2324825657 BTCCCJRPFXKKFY-QGZVFWFLSA-N 427.456 4.911 30 10 IJEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCCN3CCOCC3)ccc21 2325669642 WRBHTWDZUAMZRV-UHFFFAOYSA-N 427.500 4.681 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2325722367 DBGXHZWGZUNHSS-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2325910932 LLINYYYQXPJQDY-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE CCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SC)cc1OCC 2329065239 FVRBQKVTCJDYIV-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2329588216 YCPMPEBYWLKAHC-UHFFFAOYSA-N 439.299 4.538 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1O 2330557378 LCTOAFUEAANYGV-UHFFFAOYSA-N 426.498 4.731 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 2330631890 RUYDCKSDBQABBP-UHFFFAOYSA-N 443.532 4.567 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2330961087 KIGXNTLXRMKDPV-HXUWFJFHSA-N 437.525 4.829 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331081295 XNSFMAIDTYQXGH-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2331342992 LVQUUYZEIDEOET-UHFFFAOYSA-N 441.333 4.805 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1OC 2331396242 BHTFCCWGNFDTRK-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE COc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1ccc([N+](=O)[O-])cc1 2331443429 PXKSJXQATJUWHU-UHFFFAOYSA-N 425.514 4.568 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2sccc2C)cc1 2331498494 WSRQZBGZGTYCFF-UHFFFAOYSA-N 425.583 4.837 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccccc2OC(C)C)o1 2331696230 HMZYTRMOYFZKBT-UHFFFAOYSA-N 442.541 4.743 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cc(NC(=O)OC(C)(C)C)ccc2F)n1 2337028848 WALJCMWXOIRIAZ-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339588018 BOLCNJPJFJYTDM-HOYKHHGWSA-N 444.381 4.941 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197401 LJXOLONCJDYFCD-MDNKFWRPSA-N 433.390 4.567 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2360197889 XRMJOEMZRUMFJM-YSIASYRMSA-N 435.406 4.862 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](CCc2ccc(OC)cc2Br)NC)C1 2364846590 MJRYGJYWYBWFHW-SFHVURJKSA-N 439.394 4.592 30 10 IJEE Cn1cc(Br)c(CSc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)n1 2366980072 VRVDORVBKLEXLZ-CMDGGOBGSA-N 436.184 4.515 30 10 IJEE CCSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CC(C)(C)CC1=O)N2 17098668 WCHZQTAWBOFAKJ-MRXNPFEDSA-N 433.921 4.610 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccccc2F)c1C 32972190 HXUBGKCONHVHBV-UHFFFAOYSA-N 425.483 4.505 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 35443296 ZKYHFJGOZIPVGN-RBNQUJQMSA-N 433.548 4.999 30 10 IJEE Cc1ccc(COc2cccc(/C=C3\S/C(=N/c4nnc(C)s4)N(C)C3=O)c2)cc1 39866102 WPCQGFWTIZWTPS-POJNRUHKSA-N 436.562 4.968 30 10 IJEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)[C@H]2CCCO2)nc2ccccc21 40196206 ZLTGJEHJNXHRMK-YADARESESA-N 433.552 4.590 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 41290063 QOFFYPBWWLGURS-MTJSOVHGSA-N 434.419 4.987 30 10 IJEE CCNC(=O)CCSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59816741 MBXGWOGREAGOHN-VULFUBBASA-N 442.548 4.766 30 10 IJEE Cc1sc2nc(CSCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)[nH]c(=O)c2c1C 96446708 LPDURDQIOLBYID-VCHYOVAHSA-N 439.606 4.715 30 10 IJEE C=CCOc1ccc(C(=O)NCc2cc(OC)c(OC)cc2Cl)cc1Br 100428510 NYWYUWXXDYAGJD-UHFFFAOYSA-N 440.721 4.615 30 10 IJEE C=C(C)Cc1c(C)nn(C(=O)COc2ccc(Br)cc2Br)c1C 100459856 NUUBCSUTQDVAKV-UHFFFAOYSA-N 442.151 4.863 30 10 IJEE CCOc1cc(/C=N\Nc2nc(C)c(C(=O)OC)s2)cc(Cl)c1OCC(C)C 169943391 ZDFHIEBEXDUICH-NKVSQWTQSA-N 425.938 4.771 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1cccs1 169982024 XMIYAAFEYYDEAG-OAQYLSRUSA-N 434.517 4.606 30 10 IJEE Cn1cc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085933 BFWLKADTGLTURK-DEOSSOPVSA-N 442.515 4.634 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccco1)c1ccc2c(c1)CCO2 170096881 NCLIUDIXEWCLPI-QFIPXVFZSA-N 449.890 4.689 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(C)c1 170144574 PAFQDHZLSJGWHD-HSZRJFAPSA-N 442.515 4.794 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)c1 170170606 QRDIDCPEAFPSOO-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccncc2)ccc1OC(C)C 170201655 WJIKKIXZHSDSQU-HSZRJFAPSA-N 444.487 4.666 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1c[nH]c2ccccc12 170253982 BOFCAECRDPMUHY-HSZRJFAPSA-N 446.547 4.999 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(C)c2)cc1OC 170461235 SRXFEGRCUQNCNB-XMMPIXPASA-N 437.536 4.566 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@H](C)Oc2ccc(Cl)cc2)nc2c(C)cccc12 170536839 CVFJLISXQLJNDR-INIZCTEOSA-N 445.910 4.968 30 10 IJEE N#CCCn1cc(/C=C\C(=O)Nc2ccccc2CN2CCSCC2)c2ccccc21 212077211 DWVGQTWRZWYACU-KHPPLWFESA-N 430.577 4.756 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 410345505 PYZAWTZRUOKZHX-UHFFFAOYSA-N 442.581 4.631 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc(OC)c1OC 431260622 XFNGTJVIJMJHPB-UHFFFAOYSA-N 435.274 4.664 30 10 IJEE C=CCN(C(=O)CN[C@H](C)c1cn[nH]c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 494650952 DZQJCRCNKQXCOL-GFCCVEGCSA-N 436.368 4.710 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC 502647873 NBLQVIZPIPQEKC-UHFFFAOYSA-N 435.568 4.974 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508495043 SVWDJWATPWYTAW-SFHVURJKSA-N 434.931 4.594 30 10 IJEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 526608720 MQBKXUUAQFYEDL-QFIPXVFZSA-N 427.416 4.538 30 10 IJEE CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)[C@@H]1C[C@H]1C 569731143 ZFJJBXUBOBJRPC-WAIKUNEKSA-N 426.476 4.759 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ccc(C#N)c([N+](=O)[O-])c1 571698936 XMMDTCOZOVFKKS-UHFFFAOYSA-N 427.873 4.628 30 10 IJEE C=CCNC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 586632220 HATIGKUSLNQNET-AWEZNQCLSA-N 441.553 4.609 30 10 IJEE C=CCn1c(COc2ccccc2Cc2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1 685532698 NIDVPLLBGDJIQB-HHHXNRCGSA-N 444.579 4.641 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(I)ccc1Br 692277927 XPOJDSAEJVPXDD-IAQYHMDHSA-N 448.142 4.918 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)c(C)c1 733197148 LPGVEKQVIZDQGX-FQEVSTJZSA-N 441.503 4.565 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C2CCCCC2)[nH]n1 758766310 RZSIOXJYLQZVAE-HNNXBMFYSA-N 426.542 4.647 30 10 IJEE N#C[C@@H](C(=O)CCc1cc2ccccc2nc1O)C(=O)Nc1ccc(Cl)cc1Cl 767431652 GLFPPQHHSZSWON-HNNXBMFYSA-N 428.275 4.527 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)nn2C)cc1OC 1126122630 CZOLAUZKFTWLPW-HNNXBMFYSA-N 436.537 4.751 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](CC)c2ccc(C)c(F)c2)nnc1-c1ccco1 1127604887 XPCKARUPPAJWOG-GOSISDBHSA-N 428.533 4.921 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 1135342203 AAQPIBOHVIMLQM-XYELWLDHSA-N 444.572 4.521 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 1142341721 YHPPFMDBPYCIRF-CQSZACIVSA-N 435.874 4.746 30 10 IJEE C=CCC1(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)CCCC1 1157767084 QBQZLNGFPFMZKE-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE C#C[C@H](NC(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C)c1ccccc1 1163097399 XPCSBFKUNVXBQJ-IBGZPJMESA-N 439.581 4.670 30 10 IJEE C=CCc1cc(C(=O)N(C)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc(OC)c1OC 1166307366 LGNVRMJKEHTYOV-UHFFFAOYSA-N 433.430 4.600 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccc3c[nH]nc3c2)cc1OCC 1178704743 DXAAXXINIQLNTO-UHFFFAOYSA-N 430.346 4.621 30 10 IJEE CC#CCCCC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1181918225 HLUIHPQMIKHULX-FQEVSTJZSA-N 426.557 4.590 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)CCCN1C(=O)OC(C)(C)C 1183389301 PLJHAOLKSPNKFF-SANMLTNESA-N 444.535 4.961 30 10 IJEE CC[C@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)c1nc(C(F)(F)F)cs1 1210159596 DZVLXTKXDCYRHL-LBPRGKRZSA-N 445.513 4.986 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cnc2c(Br)csc2c1 1211743679 GTRMOIAPQVXHGJ-UHFFFAOYSA-N 437.384 4.826 30 10 IJEE C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1214965047 CXLZNBXXHWODAF-QGZVFWFLSA-N 431.471 4.627 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc(F)cc1F 1221921539 ZCPCKPMOPLPZDE-UHFFFAOYSA-N 427.264 4.807 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@](C)(O)c1ccccc1Br)c1ccc(F)c(F)c1 1234555668 MPJZATCIGHALTB-ICSRJNTNSA-N 439.300 4.551 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1252972237 YUAOVIAJRLSTMC-QINHECLXSA-N 433.515 4.753 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1)c1ccccc1 1265300284 GIKWEIZQCXDXDU-UKILVPOCSA-N 448.607 4.882 30 10 IJEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1271682337 HADFAZFJOAOBLB-QHCPKHFHSA-N 449.551 4.610 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2COc3ccc(Br)cc32)C(F)(F)F)cc1 1272443648 MMBUZMDYUGQALL-WBVHZDCISA-N 425.200 4.753 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC(F)(F)F)cc1 1286282906 PISVETHEYLMBMX-CQSZACIVSA-N 449.864 4.593 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CCOC)CCCCC1 1286369097 CJAJENZZEJBYSA-UHFFFAOYSA-N 433.556 4.657 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1csc(C)c1 1286514280 COIRGYPJVRMQGE-XMMPIXPASA-N 433.581 4.558 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1286541396 IPSWIFKFJCYLOA-HXUWFJFHSA-N 447.421 4.613 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(C)n2)CC1 1286638919 QXFDYHGETYUBHX-UHFFFAOYSA-N 441.377 4.528 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1286640508 JBXQBWVVCNVPOM-RTWAWAEBSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1286671101 RCNIKMFLAVVQNH-OALUTQOASA-N 448.615 4.760 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286673562 YMKYUPYALYHSGO-JKSUJKDBSA-N 437.009 4.677 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286679139 KUZQDWQLZZESLT-NHCUHLMSSA-N 437.588 4.619 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286695204 QMAVEXAVIWSIOF-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SCC)C1 1286704657 YEWCIIOMQWOHRN-OAQYLSRUSA-N 425.602 4.807 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccccc1F 1286707590 HAUSBYPVZYBYOT-MRXNPFEDSA-N 429.927 4.923 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)CC(C)(C)C1 1286707738 IGIGVWDQZDPACA-IBGZPJMESA-N 434.588 4.800 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCCN1CCC(C)CC1 1286717335 UMRFSJMHRBYMJO-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C)CCC1 1286748386 WUEQYXFPYABDOV-HSZRJFAPSA-N 430.618 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)N(C)C 1286749197 MSEDFBMGBLRGPA-TZIWHRDSSA-N 441.601 4.670 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 1293528364 UAFBZMFURQWUFP-AEFFLSMTSA-N 439.984 4.547 30 10 IJEE CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(c2ccncc2)CC1 1295277893 DSTQNOYFTROUAL-UHFFFAOYSA-N 443.599 4.611 30 10 IJEE C=CC(C)(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1297827237 UKFCHOKDDTVAGP-VWLOTQADSA-N 439.559 4.991 30 10 IJEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1300372776 KZRJZJQMOKQOAJ-NRFANRHFSA-N 444.526 4.541 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1300565992 ZNJMRBOZXJQXOC-UKILVPOCSA-N 442.563 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC[C@](C)(C#N)C1 1300897062 NNQJCARZFCICQB-PMWMKWCKSA-N 449.599 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nccc(C(F)F)n1 1300906981 VLWJNCJFFXFXEH-UHFFFAOYSA-N 448.905 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N1CCCC1 1300907845 SQKSLTHSWCMPKB-JOCHJYFZSA-N 430.556 4.649 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCSC2)CC1 1301119814 XPSDNPIOAZMHEI-IBGZPJMESA-N 442.629 4.898 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC=C(Br)C1 1301196737 IQOKZAYFYRWPPX-UHFFFAOYSA-N 444.377 4.602 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301229576 UJIGOQIQYOIZRY-QFIPXVFZSA-N 437.632 4.551 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1Cc1nnc(C(C)(C)C)s1 1301337632 JLSWJOZCUQBONA-UHFFFAOYSA-N 438.601 4.554 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1CC1CC(F)(F)C1 1301354479 BAZXQHUMBIKSPI-UHFFFAOYSA-N 444.505 4.517 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1cccc(OCC(F)(F)F)c1 1302132286 BZJMURGGNBPVRL-UHFFFAOYSA-N 435.494 4.596 30 10 IJEE C=C(CC(C)C)C(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1303966840 KFYWWOUFJBPDBH-PMACEKPBSA-N 428.573 4.745 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCOCC1 1310924151 MWHDUEYFLDYPKP-UHFFFAOYSA-N 426.332 4.670 30 10 IJEE C#Cc1ccc(NC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)c(Cl)c1 1311263396 ZAQJPCJDPSIILY-SFHVURJKSA-N 428.920 4.927 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(OC)c1 1350345421 SKCVLYOKYKJZQT-IBGZPJMESA-N 444.531 4.932 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)sc2c1CCCCC2 1350511077 IDKKBHMBLHMQNZ-UHFFFAOYSA-N 448.548 4.812 30 10 IJEE COC(=O)c1cc(Br)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 1351999776 FQIOCLKUZFKMDE-JTQLQIEISA-N 433.327 4.546 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3c(C(F)F)nc4n3CCCC4)cc2F)c1 1358390373 HGINLNUOWVOMEZ-UHFFFAOYSA-N 440.425 4.999 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCN1CCCC 1358880728 RPKVYURWNAMTBQ-AZUAARDMSA-N 444.023 4.720 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1359050839 DWCQLHIIQUFWSH-YJBOKZPZSA-N 433.419 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(C2CC2)ccc1F 1359107296 IRATTYHNTKRFIQ-VWLOTQADSA-N 442.579 4.786 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCC[C@H]2C)CC1 1359166156 HYOORKORZXOLFI-LJQANCHMSA-N 429.559 4.568 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCN2CCCC)CC1 1359169104 UOKXJDDMGYVAPM-NRFANRHFSA-N 441.595 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C)CCC2)CC1 1359175085 ZBKNJIJZRDKFBA-UHFFFAOYSA-N 426.561 4.564 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@](C)(O)C1CCCCC1 1359244736 ORILBQSLFMEEOM-HSZRJFAPSA-N 430.618 4.533 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1ccn(C)n1 1359267683 OAOAZTPLGZGKBK-UHFFFAOYSA-N 441.583 4.507 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccs1 1359311326 XWFBKBRJAQEYEN-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 1436096054 WUXGHAKBHBDOTN-MRXNPFEDSA-N 428.945 4.840 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ncc3[nH]ccc3c2Br)cc1OC 1437264027 QNCHCHVDPGLQEV-ALCCZGGFSA-N 428.286 4.551 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCCCC1 1440678788 CLHXAAKEQOLESC-JOCHJYFZSA-N 429.605 4.538 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1OC 1448508426 VQFIUHPCCOKDKI-JYHGAKRHSA-N 435.568 4.718 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1-c1ccccc1OC 1458086781 ZBPZNZFMBUZONT-UHFFFAOYSA-N 447.314 4.962 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccccc1 1463273767 XDRYNYJKMPPJDV-GDLZYMKVSA-N 426.416 4.651 30 10 IJEE CC(C)(C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1)C(N)=O 1465762782 ATXXCULNRCWINW-MRXNPFEDSA-N 438.503 4.635 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1nc2c(s1)C[C@H](C)CC2 1472391674 YVKFBEJYPCNVIJ-SJLPKXTDSA-N 435.634 4.866 30 10 IJEE C=CCCCSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccccc1Cl 1472918118 UKZSEMRQRVODBP-UHFFFAOYSA-N 428.941 4.943 30 10 IJEE N#Cc1ccc(Br)c(CNC[C@H](O)c2cccc(OCc3ccccc3)c2)c1 1474067133 DSSXSJYUVMWIHL-QHCPKHFHSA-N 437.337 4.723 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 1475384993 RNGAXWYZDRSRKT-HNNXBMFYSA-N 448.304 4.934 30 10 IJEE N#CCOc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 1475971453 GSXHLKLUTFAGQJ-LOSJGSFVSA-N 444.510 4.518 30 10 IJEE Cc1ccc([C@@H]2COCCN2C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)o1 1476581242 DFOKQTXUMWKMLH-IBGZPJMESA-N 433.512 4.548 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(C#N)cn1CC 1476760263 BPWYJRAPMDDGJI-NRFANRHFSA-N 430.508 4.662 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 1478750735 DMGPTDMZDCABMY-CQSZACIVSA-N 443.429 4.616 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1479031245 DTMFWQINPPSANV-UHFFFAOYSA-N 442.585 4.753 30 10 IJEE CCSc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(CCC#N)CC2CC2)c1 1503314542 BGFBOGYECYIZOA-UHFFFAOYSA-N 432.597 4.939 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(CC#N)CC1 1507578823 BYRBLQRFQQOTAM-UHFFFAOYSA-N 430.581 4.921 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 1507825349 VJEWZEHMKXKQOO-KBWCOIMZSA-N 441.595 4.834 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1507841341 VKMIBXNIBGZLBO-IAGOWNOFSA-N 449.368 4.532 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 1507895090 SJRXAAQPITURON-QHCPKHFHSA-N 437.632 4.824 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccccc2C)C1 1507919015 ATDNRYRMEBYXCA-GIWBLDEGSA-N 438.616 4.907 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1507925682 JDMVCLIKJBQUPS-UHFFFAOYSA-N 442.007 4.936 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C)C1 1507965122 BFZHEFNVOZQZPQ-INIZCTEOSA-N 439.387 4.993 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1508154407 WMDMOFHPZUZERJ-GGAORHGYSA-N 449.624 4.863 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1513982782 AEUGWWBCBZXUSQ-SEDAZVQISA-N 434.632 4.810 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccn(CC(F)(F)F)c1=O)c1ccc(C(F)(F)F)cc1 1520121511 RZQUKXOJAJQQCT-MRXNPFEDSA-N 432.364 4.867 30 10 IJEE Cc1c(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)sc2ccc(C#N)cc12 1521791357 DRHWUAICWNZQKU-HNNXBMFYSA-N 445.466 4.989 30 10 IJEE CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccccc2OCC#N)cc1 1524018711 FKEZUTJCWWQFKL-QFIPXVFZSA-N 449.551 4.586 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C2CC(C)(C)C2)c1 1524885943 LLEAOMHIENPEEB-UHFFFAOYSA-N 447.000 4.982 30 10 IJEE C#Cc1cccc(N(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C(C)C)c1 1528207314 QULFGVSEJNDPTL-UHFFFAOYSA-N 428.355 4.792 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCC(C)(C)C)c1 1533319137 YQIMHRUVLFYJHU-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3nn(CCCCCC)c(=O)c4ccccc34)cc2n1 1536230034 QYYIELBARPVKSD-UHFFFAOYSA-N 429.524 4.765 30 10 IJEE C#Cc1ccccc1CC(=O)N(c1ccccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1538042797 VOSSAJXQJHLWJI-UHFFFAOYSA-N 436.527 4.782 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1538808392 CUPNEIWLPROTIN-QGZVFWFLSA-N 442.478 4.646 30 10 IJEE Cc1c(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1538985393 CDPGIKJTNNPCES-YJBOKZPZSA-N 427.570 4.989 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(CC=C)CCc1ccco1 1539109218 LFQOSLOLKMFZCW-UHFFFAOYSA-N 439.357 4.949 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccc(C)s1 1539158498 BWDUTFRJBCRZFU-UHFFFAOYSA-N 435.778 4.849 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1csc(CC)n1 1539350373 JRSRGIQRMRBSJM-HNNXBMFYSA-N 425.627 4.658 30 10 IJEE Cc1c(C(=O)N[C@H]2[C@H](C)N(C(=O)OC(C)(C)C)CC[C@H]2C)sc2ccc(C#N)cc12 1539409750 APIAPURNRAFTEF-FRIZHTMISA-N 427.570 4.845 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1539525120 TYODFSBVQQGHTG-HNNXBMFYSA-N 432.565 4.772 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](c2ccco2)C1 1539693736 XOTGABZDQONKPC-INIZCTEOSA-N 443.345 4.879 30 10 IJEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](SC)C(C)(C)C)CC1 1539891380 AJMUEGYFHZXTLD-FQEVSTJZSA-N 438.645 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1CC 1539903121 SUZCMFGSBJOJSL-SFHVURJKSA-N 444.649 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1539929136 OALCSIVRTSTXDN-OAQYLSRUSA-N 425.621 4.518 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1539938836 CHWWHONHHUAZLR-XPWALMASSA-N 438.616 4.783 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)(C)C)CC1 1539954896 IMWTXETVDVVJHW-UHFFFAOYSA-N 432.012 4.884 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCC2(CCOCC2)C1 1540020035 GLEBZYSLBAABOY-QHCPKHFHSA-N 438.616 4.810 30 10 IJEE C=CCCCn1c(N2CCC(c3ccsc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540021846 VZLWTVVQPKMDLN-QHCPKHFHSA-N 430.618 4.730 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1540059142 OCHMKAZYFWDNOE-SFTDATJTSA-N 432.616 4.874 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccccc1F)C1CC1 1540854497 LPNBNJONPJGBLK-UHFFFAOYSA-N 430.325 4.540 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1540916184 SXHLXIUHYNMJCT-HKUYNNGSSA-N 449.665 4.594 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](CC)Oc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1543745118 SOEXRSCXVZBEFI-JPYJTQIMSA-N 436.980 4.959 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1556427590 JGTMSCZIFIUIAX-SFHVURJKSA-N 438.471 4.687 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 1557250251 GXMQWRKIXPHKCQ-UHFFFAOYSA-N 431.315 4.568 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)s1 1557654609 LMYZKHAKGKFSRI-MOPGFXCFSA-N 425.019 4.713 30 10 IJEE CN(CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)OC(C)(C)C 1562240417 IADQUPHJOFBJNV-UHFFFAOYSA-N 444.919 4.992 30 10 IJEE CC(=O)N(Cc1ccc(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1)C(C)C 1562369154 OTQITLBCYRWJAH-HXUWFJFHSA-N 432.446 4.740 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C)C(C)C 1563453450 HYMUODGRZWVBHW-UWJYYQICSA-N 434.422 4.604 30 10 IJEE C=CCc1cc(CNC(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc(OC)c1OC 1563814894 OLQYGBZLQMRDQW-UHFFFAOYSA-N 448.485 4.835 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc(Br)cc1 1564999963 QXCJXZQJDXVVAZ-IBGZPJMESA-N 449.295 4.655 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]2CC(C)C)c1 1583486537 YIQDFHYUMBTFAF-VGOFRKELSA-N 447.000 4.886 30 10 IJEE N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1584702520 CZPXXJXBJGUGSS-AUUYWEPGSA-N 427.298 4.941 30 10 IJEE C#CCOc1cccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OCC)c1 1585978335 BENMZEFDDUHLJB-OAQYLSRUSA-N 438.524 4.692 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 1587230312 ZDVBNZSKSRIDEF-WMZHIEFXSA-N 426.582 4.685 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)c1nccs1 1587587015 WGZXPNQWJNCSHG-LSDHHAIUSA-N 444.402 4.734 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CCC)C1 1589007349 LXAMXGGRDKYYJF-OAQYLSRUSA-N 426.630 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1sc(C)nc1C 1589242948 QGRUDMKVRMVEFW-JOCHJYFZSA-N 441.988 4.624 30 10 IJEE C=C(Br)Cn1c(N2CC[C@@H](CCOC)C2)nnc1C1(c2ccccc2)CCC1 1589459642 AKYNBCWDEMHVRT-SFHVURJKSA-N 445.405 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1589515489 OERKQPJJTGVKFV-OXJNMPFZSA-N 429.927 4.683 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CC(C)C)C1 1589570398 USEAHJBWLODNAH-SLSDLSHTSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CC1CCN(c2ccncc2)CC1 1589609384 WGFLRTXJAFGAMK-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCOC[C@@H]1C 1589625314 AWUJCRPTGOEFRM-PZJWPPBQSA-N 442.604 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1589662929 DUQHYUHSMRXVTG-QHCPKHFHSA-N 439.648 4.651 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(F)F)c2)CC1 1594192508 KAKPKCSDDBAXHC-XMMPIXPASA-N 446.542 4.707 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1 1603011174 DXQRPYUIXXCZHV-QHCPKHFHSA-N 437.588 4.560 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](F)C2)nnc1-c1ccc(Cl)cc1Cl 1611069145 BIQKMPHWFFLIQV-ZIAGYGMSSA-N 443.375 4.927 30 10 IJEE Cc1ccc2c(CCn3c([C@@H]4CCO[C@H]4C(C)(C)C)nnc3N(C)[C@@H](C)CC#N)c[nH]c2c1 1612171903 GDCWDFJCZFOVLN-QTGUNEKASA-N 448.615 4.968 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC(F)(F)C2)nnc1-c1ccc(Cl)cc1Cl 1616575325 BNKLQAVURWOIID-UHFFFAOYSA-N 447.338 4.788 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(F)cc1 1623380873 YXXSBYOFEHBOER-CYBMUJFWSA-N 426.320 4.852 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1623918852 GQTFNVXASZMEMF-KRWDZBQOSA-N 430.373 4.956 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)cc1 1626767927 GHAIGOPDBBAGFX-XMMPIXPASA-N 437.927 4.676 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 1630085095 DUYIQUDUNAOJKN-INIZCTEOSA-N 440.924 4.975 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1 1634265255 OIRIOOAPGMXGPI-UHFFFAOYSA-N 429.358 4.660 30 10 IJEE CO[C@@H](c1ccc(Br)cc1)[C@H](C)NCc1cc(C#N)ccc1Br 1650854205 CJVAWUCMOLARAT-KPZWWZAWSA-N 438.163 4.949 30 10 IJEE N#C[C@H](C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1ccccc1 1651642546 DOEUBPSCQMJFSQ-IBGZPJMESA-N 449.919 4.660 30 10 IJEE C=C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(OCC)cc1)C(=O)OC 1651656700 DGFPDGBZUQXYID-SFHVURJKSA-N 429.929 4.806 30 10 IJEE Cc1ccc(Oc2cc(Cl)ccc2CN2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)c1 1652223319 FRIORUOTQKEPOH-UHFFFAOYSA-N 449.986 4.985 30 10 IJEE C[C@@H](Sc1nnc(O)n1CCc1ccccc1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 1656035972 QXKZGFNFKJFPJV-FIOICXDGSA-N 448.592 4.588 30 10 IJEE C=CCOc1ccc(CNC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1OC 1657948539 TVICVSAUWIUWIV-QFIPXVFZSA-N 438.568 4.884 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)Cc1cccc(Cl)c1Br 1660920915 PBFBMGPXDLUMBO-UHFFFAOYSA-N 444.778 4.629 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)c1ccccc1 1662359386 SPBCKUMMZBCMHT-IBGZPJMESA-N 433.371 4.927 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccc(F)cc1 1669360272 PGENLJXHVQGKPI-LBPRGKRZSA-N 437.117 4.548 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1cccc(C)c1)c1ccccn1)c1ccc(Br)cc1 1671240920 UEFPUYXJXBHOSC-RBBKRZOGSA-N 434.337 4.916 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(SCCN3CCCC3)cc2)cc1 1673303505 ISKXHAPMYVOXKU-UHFFFAOYSA-N 439.585 4.826 30 10 IJEE C#C[C@H](NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccc(Cl)cc1F 1674035950 HWANZLDRKCXPNS-NRFANRHFSA-N 444.894 4.775 30 10 IJEE CCS(=O)(=O)N(C)c1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 1674513802 BHVPPXAINDHRRB-OAHLLOKOSA-N 432.571 4.511 30 10 IJEE C=CCC[C@H](NC(=O)NCCOc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 1676782725 ITBPDWGDSNEDEX-SFHVURJKSA-N 436.430 4.820 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)CC1 1679470264 DHTMWEIGTSKVHJ-QQMNAOGKSA-N 426.944 4.938 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1680750616 MCMKJGDONQELDI-JVFUWBCBSA-N 443.588 4.934 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2ccc(OC)c(OC)c2)C2CCCCC2)cc1 1682560655 WSWXPGXBKRUKBY-UHFFFAOYSA-N 436.552 4.760 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br)C1CCOCC1 1684034847 FMSDIYUQNAOHEJ-FCHUYYIVSA-N 441.369 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1689855423 VWBOOBHRVFUMST-KKUMJFAQSA-N 426.433 4.899 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1689881178 IVZLXAPYLMXQQB-HXUWFJFHSA-N 440.954 4.788 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1689913722 UIEOVCFJWQWXOR-RXVVDRJESA-N 428.552 4.755 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1690054961 KNXBCAYKOYUQSA-AOYPEHQESA-N 448.636 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCCSC 1690248143 KVLHPOQUWWADLI-NQIIRXRSSA-N 435.037 4.693 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1690397219 YHODKWSKARMHCN-GOSISDBHSA-N 426.605 4.874 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)c2cccc(F)c2)CC1 1690414699 GYJKZTBSICNOBR-UHFFFAOYSA-N 436.579 4.659 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21)c1ccccc1 1690441722 FQZJVKMZZSNYDX-IZBOUPIGSA-N 435.616 4.791 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)c1ccccn1 1690518233 ANGOXAZUOSGQIS-UHFFFAOYSA-N 432.391 4.764 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1690518790 VLPZFDVYWXDJHE-SIKLNZKXSA-N 437.613 4.721 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1Cc1nc(C)c(C)s1)C1CC1 1690553740 FOVXHKFJKQANAF-UHFFFAOYSA-N 441.626 4.855 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN1C1CC1 1690560030 NRHIHYCPSXOWGS-DEOSSOPVSA-N 446.643 4.948 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690629489 ZWKDYFGZCNPTEE-HOYKHHGWSA-N 428.577 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCC(=C)C)C1 1690689325 BOQSHTPWKZRWAQ-HXUWFJFHSA-N 442.629 4.650 30 10 IJEE CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCc2sccc2C1)C(C)C 1692407206 GGQNMQIDKSMVNK-UHFFFAOYSA-N 448.640 4.807 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC(C)(C)C2)o1 1695136881 CIJSILVZZYRHEL-UHFFFAOYSA-N 448.571 4.508 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@H]1C 1705477835 SMKGOZVGRSSRAK-XUVXKRRUSA-N 444.023 4.631 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1CCN(CC)CC1 1705481812 NBDKWGOFNBUACD-RTBURBONSA-N 439.673 4.711 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1705528684 OQTPAZZDOPYPBJ-QZTJIDSGSA-N 445.405 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCOCC(F)F 1705668038 CIZITVALNQUEGJ-NTKDMRAZSA-N 446.542 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCSC1 1705668886 WJRISVYMJRPMNL-HYFFOGBASA-N 431.005 4.817 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN(C(C)C)C(C)C)CC1 1705764177 QDYWLWMALFHKFZ-UHFFFAOYSA-N 449.441 4.701 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1705784103 HHMNYVOPBSIGSS-UHFFFAOYSA-N 449.521 4.906 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N(Cc1ccnn1C)C1CC1 1705793341 UMMZMDIKRQBHBR-UHFFFAOYSA-N 440.542 4.652 30 10 IJEE C=CCCCCCN(C)c1nnc(CC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705799101 MOEBDSODKSAREO-SLFFLAALSA-N 431.625 4.526 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1705807583 ICIIUYOJYQUUGX-GOSISDBHSA-N 444.004 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1705865881 ABDMZGQTRDMGKO-UHFFFAOYSA-N 443.617 4.809 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1CC1CCN(Cc2cccs2)CC1 1705878081 TYGONRXQRVBLOP-UHFFFAOYSA-N 435.641 4.795 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1Cc1cccs1 1705893982 JUAJBSUSAOCWDB-HKUYNNGSSA-N 443.617 4.809 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)C1(C)C 1710587996 BZKJWTMPOTUQRY-UXHICEINSA-N 427.618 4.598 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCOCC 1722315543 XEDWXDYAGYODFU-UHFFFAOYSA-N 439.785 4.637 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@@H]1C 1722465402 LHWBUINZEVDDOQ-GJZGRUSLSA-N 439.412 4.765 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCN(C)C1CCCCC1 1722467376 ACFWZAPPNDXRTP-AREMUKBSSA-N 435.616 4.600 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Cl)cc1 1722508840 UOBPHPWAGADLES-WIYYLYMNSA-N 425.964 4.587 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1722513100 QVJWYJCNGLKGGF-GOSISDBHSA-N 429.528 4.596 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)C)CC1 1722524788 QXGNGJJNBKNSDF-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722525002 FDIWRPPNEZIEMJ-NRFANRHFSA-N 438.597 4.989 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)c2c(C)noc2C)CC1 1722569362 XQPYCWIPLDOWDF-GOSISDBHSA-N 435.572 4.637 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(N2CCCCC2)CC1 1722606530 BFBIJTGBTKRVHH-UHFFFAOYSA-N 445.558 4.967 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(Br)cc1 1722636796 PPCYMNFCCDEGQF-UHFFFAOYSA-N 432.753 4.621 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@](C)(O)C1CCCCC1 1722656853 KELOJXVCSGSKIF-AREMUKBSSA-N 433.600 4.941 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCCc1nnc(C)s1 1722663609 CTZZPPVOZRMAEM-SFHVURJKSA-N 444.630 4.567 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722667420 YNFWINODTHPMQT-FDDCHVKYSA-N 429.012 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1722669169 OVDLVDUZXBSQDI-UHFFFAOYSA-N 446.599 4.851 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H](C)CC)n1Cc1nnc(C(C)(C)C)s1 1722675049 IYBCQAGCTUDIML-MRXNPFEDSA-N 428.606 4.817 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCC2)C1 1722721927 KHMIHQVGABJLMU-GOSISDBHSA-N 428.602 4.551 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1740569227 FRGZGVJKJHRHEE-WIOPSUGQSA-N 442.611 4.633 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C1CC1)N(C)C 1740663333 GVXDKPSWPNJBAE-QGZVFWFLSA-N 428.005 4.613 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1740678071 ZIYXQZFOYHVQEN-BHIFYINESA-N 439.623 4.939 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@](C)(O)[C@H](C)CC 1740678815 JGMXGSUGVJJOCZ-KBMIEXCESA-N 426.580 4.587 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1740747318 DUCMGHUQIIUMRE-FQEVSTJZSA-N 429.406 4.988 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2CCN(CCC)CC2)CC1 1740827777 KLFBCBSOQFAFOX-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1740861893 CUPGQLNVAIZJBP-WOJBJXKFSA-N 429.609 4.641 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1[C@H]2CCC[C@H]12 1740876483 SYCQSAZPHYQBJA-OALUTQOASA-N 429.609 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCN1C1CC1 1740893905 BKTCHXDHHBOBQD-IBGZPJMESA-N 444.421 4.655 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1740901069 BRUPKSYZMYLUTC-OALUTQOASA-N 446.039 4.987 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H]2CSC)cc1 1740967349 DNHXMPZYJVMLDT-FQEVSTJZSA-N 440.638 4.875 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](OC)c2ccc(Cl)cc2)C1 1740980595 QJIPIAZXNSSQNW-NHCUHLMSSA-N 430.980 4.758 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(C)c2C)CC1 1741002572 OISAMEVAZAXQLX-UHFFFAOYSA-N 427.662 4.729 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCC=CO1 1741967698 BMXFVTVUPJUHAO-WGGBDISSSA-N 441.963 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1748680261 PHWCOZYLEOBOLB-OAQYLSRUSA-N 444.627 4.632 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(OC)C1 1749024440 QMRWOJFQXVXBME-GAJHUEQPSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)CCCC1 1749080393 MLAGDYPVMUQGBO-HHJKRLRDSA-N 441.620 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccccc1C 1749133218 JCVGYBVHURJXPZ-KJWPAHLWSA-N 431.584 4.751 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCN(CCC)CC1 1749153301 SNIVOSUVPUNGPC-UHFFFAOYSA-N 434.632 4.961 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1749363808 IIFZZSZEMACUSL-UHFFFAOYSA-N 426.590 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1749364064 LTSHMJZBKNZZSG-RTBURBONSA-N 448.615 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](OC)C(C)C 1749473377 GPQSEYKAACQUSL-MRXNPFEDSA-N 427.774 4.654 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)c1nccs1)C1CC1 1749508457 RKYBVWHUKKOHMS-CVEARBPZSA-N 427.549 4.972 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@H](C)C1 1749585267 ZLEHWABIOCMDMS-GOTSBHOMSA-N 444.627 4.696 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC[C@H](n3cc(C)cn3)C2)cc1 1749683321 PNJYATOIJUTRPE-UNMCSNQZSA-N 434.588 4.751 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H](C)O1 1752318010 DGPNEXPQJUQCBB-WTLGNFPFSA-N 433.478 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1760108134 VOMITNWTWSTSFK-JTAQYXEDSA-N 433.625 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1760124317 RFMAASOLCULAKY-ULQDDVLXSA-N 436.478 4.617 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1760133474 FREKHVMFCMZKTH-GOTSBHOMSA-N 449.643 4.848 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCc2ccccc21 1760228936 XNGLEWPJVOHMSZ-MRXNPFEDSA-N 441.398 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C(C)C)N1CCCC1 1760298598 NLXUFUUXHKGSKD-SHQCIBLASA-N 449.643 4.586 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1ccc(Br)o1 1760344786 HWZJFOBKAXRCAX-UHFFFAOYSA-N 426.318 4.994 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CC2(N(C)C)CCCC2)CC1 1760405652 ATOIUDWPORAKPN-UHFFFAOYSA-N 437.632 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760410571 JJVBVMNVQHRTIS-LEWJYISDSA-N 447.631 4.652 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCCN(CC(F)(F)F)CC1 1760435701 RQDZAEDWJVZTNP-UHFFFAOYSA-N 427.902 4.639 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC2(CCCCC2)O1 1760454523 MTQVLGIXRSVXTO-KRWDZBQOSA-N 448.409 4.550 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)c(OC)c1 1760457105 GSYUHGXDAXAOPG-MRXNPFEDSA-N 438.597 4.819 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)Cc2cccs2)C1 1760538282 XNTRATMRHAIFES-WIYYLYMNSA-N 433.581 4.538 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(C)C)CC1 1760559075 CLFBGWZICCLRQA-JOCHJYFZSA-N 427.662 4.660 30 10 IJEE Cc1ccc(C[C@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccco3)C2=O)cc1C 1772728144 OSXJGYKSVOEQQO-OAQYLSRUSA-N 434.517 4.969 30 10 IJEE COc1ccc(C=NN=C2S/C(=C\c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 1772757772 JXWGRTZWFOLTGI-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@H](C(=O)O)[C@@H](C)CC)n2)ccn1 1857836390 OPLYGHUCJKESIT-SBUREZEXSA-N 431.540 4.781 30 10 IJEE COC(=O)c1c(NC(=O)C(=O)Nc2cccc(C#N)c2)sc(C)c1-c1ccc(C)c(C)c1 1860748596 HJVDEHRXSHWREJ-UHFFFAOYSA-N 447.516 4.576 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862447223 LJBGBOFTTSDBNW-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(F)(F)F)cc1 1862495656 RSDPPGURCYWLKH-IBGZPJMESA-N 433.426 4.547 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)cc1 1862604400 CPEHYAOWAANCSF-DEOSSOPVSA-N 441.483 4.545 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)C)cc1 1862608679 SVKVGLCQRKOFHZ-MWTRTKDXSA-N 435.520 4.958 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1F 1862642358 CSVRMUQUTSFDRH-GOSISDBHSA-N 437.389 4.840 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(OC)c1 1862661520 CJHKMMCALBVPKT-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862663795 ULKLYVQTFWPZSO-FYYLOGMGSA-N 435.520 4.576 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc(Cl)c1O 1862672034 XTFYELIZKRXSSQ-HXUWFJFHSA-N 441.911 4.918 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2F)cc1 1862691725 UDNHUPMQEDVJSH-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862716419 GCTIWEOLOUNYFP-QFIPXVFZSA-N 446.459 4.688 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2C)=C(c2ccc(F)c(C)c2)C1=O 1863468316 JWIPPDDXRIMTNX-UHFFFAOYSA-N 443.316 4.891 30 10 IJEE CCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867012161 VKUFNDHDFJNUOT-BJKOFHAPSA-N 433.552 4.764 30 10 IJEE N#Cc1ccc(COc2cn(CCc3cnc[nH]3)c(CSc3ccccc3)cc2=O)cc1 1870233220 ZDOQJBLUUCEVIG-UHFFFAOYSA-N 442.544 4.557 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CN(CCC)CCCC 1870716745 SWZTWRZNYNHWIS-UHFFFAOYSA-N 445.991 4.717 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c1OC 1871417950 FHXAMEFQVATEEK-UCQKPKSFSA-N 436.435 4.917 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4)cc(C)c3C2=O)cc1 1871456142 OHZHNZTVEGJIDL-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872088009 RDYVBPOPRZZBOR-JTSKRJEESA-N 432.561 4.754 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CCC 1872580793 JUBGQNUROGCQTJ-QFIPXVFZSA-N 437.650 4.566 30 10 IJEE CC(=O)Oc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872763847 WZSSBUNPZLOXHY-QGZVFWFLSA-N 441.306 4.988 30 10 IJEE Cc1ccccc1CSc1nncn1/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12 1873501527 AQTPSBLIGZFGOJ-NUGSKGIGSA-N 425.901 4.594 30 10 IJEE C=CCNc1ncnc2c1ccc(=O)n2-c1ccc(-c2nc3ccc(C)cc3s2)cc1 1873541405 KTDKDYJKJFGZEJ-UHFFFAOYSA-N 425.517 4.964 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc2n1CCCC 1873581037 UQIZUDRLBAYSTG-WOJBJXKFSA-N 443.636 4.935 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc2n1CCOC 1873589851 SKNITIBSKISALH-PMACEKPBSA-N 443.636 4.650 30 10 IJEE CCOc1ccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SC)cc1 1874212591 ULZZRQLSAHYLRB-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)cc1 1874292254 UDPCZYLAQZRQIP-VULFUBBASA-N 449.511 4.574 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874451160 SPANQNHGJGARNT-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)ccc1O 1874451330 WZJCTZJTTHWBTG-KCDOPAPYSA-N 444.944 4.672 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CCC2)c1 1874494800 ZYSHEMZQCYQCDQ-MFKUBSTISA-N 449.580 4.866 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(COc3c(C)cccc3C)nnc2s1 1874766944 UHHCNOJUDTVHLT-UHFFFAOYSA-N 429.590 4.748 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880121733 XMOQYONJPJIWMV-PMACEKPBSA-N 429.561 4.963 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 1890687561 CPABEZOKNSMRSP-UHFFFAOYSA-N 425.532 4.793 30 10 IJEE Cn1nc(-c2ccc(-c3ccccc3)cc2)cc1C(=O)N1CC=C(c2cncc(C#N)c2)CC1 1890908268 MVHKOYPZWAPAKR-UHFFFAOYSA-N 445.526 4.950 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H](Sc1ccccc1)c1ccccc1 1891616126 YFHWTMLYJOEZLG-AREMUKBSSA-N 426.585 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(c3cc(Br)c(C#N)cc3F)C[C@H]2C1 1965552681 NRFCJJHBEMTJTB-HIFRSBDPSA-N 438.341 4.543 30 10 IJEE C#CC[C@H]1CCCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984724515 QQHAGDUDVRZCRD-RXFWQSSRSA-N 444.575 4.954 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CCC2 1988285173 ORGKDJPGWUGJOT-QFIPXVFZSA-N 433.574 4.921 30 10 IJEE CN[C@H](CC#C[Si](C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2014156613 NCTQOYDDVUMPJK-RCZVLFRGSA-N 444.692 4.689 30 10 IJEE C=CCN(CCC(=O)NCc1c(C)sc(C)c1Br)C(=O)OC(C)(C)C 2060641221 FRMKPWXRPZDZEF-UHFFFAOYSA-N 431.396 4.557 30 10 IJEE CC[C@@H](c1ccc(C)c(F)c1)n1nc(C(F)F)c(/C=N/O)c1I 2079021924 JHWVGNMVHUIYLQ-TWCVRMSCSA-N 437.203 4.680 30 10 IJEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)O)c1N 2079971719 LAFSRORKKZVNHE-GFCCVEGCSA-N 427.320 4.976 30 10 IJEE CCCc1ccc([C@H](C2CCC2)n2nc(C)c(C=NO)c2I)cc1 2080005936 NVCTUKBXCGGLQK-SFHVURJKSA-N 437.325 4.946 30 10 IJEE Cc1cc(Cl)c(Br)cc1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2138099887 RHKQRDTUCMRNPV-CQSZACIVSA-N 444.757 4.937 30 10 IJEE C[C@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2174809853 FNGMDMZKKPLLCD-KBPBESRZSA-N 440.357 4.980 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2180959566 FSZOEOCITOKMLR-RCCFBDPRSA-N 441.410 4.725 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181147575 SMXVSYUAFGRLQU-YWZLYKJASA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](O)C#Cc1cccc(Cl)c1 2212454749 MGDGMJQVRIFAIF-VXKWHMMOSA-N 429.944 4.553 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2218413055 AGJWKVSBIUXEDU-YVHKJVDXSA-N 448.568 4.853 30 10 IJEE C=CCN(CC[C@@H](NCC)c1ccc(Br)cc1OC)C(=O)OC(C)(C)C 2231157625 HQDFAEJYJMGTNR-QGZVFWFLSA-N 427.383 4.922 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC1CC(CNC(=O)OC(C)(C)C)C1 2235735157 SSRMGLTYKPXPJY-TVPLGVNVSA-N 435.406 4.720 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](O)c1cc(C(F)(F)F)ccc1Br 2236335367 VIQSICCYJLMSNB-MOPGFXCFSA-N 444.291 4.862 30 10 IJEE CC1(C)OB(c2cc(Cl)cc(C(=O)N(Cc3ccccc3)C3CCC3)c2)OC1(C)C 2247842054 ZRBYZNQESQEBRN-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267573556 KRCLGLNXWXRQII-QZTJIDSGSA-N 442.365 4.795 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267574750 ZNRUBDYIANGJDX-IAGOWNOFSA-N 442.365 4.795 30 10 IJEE CCN[C@@H](C#CC1CCCC1)c1ccc(I)c(Br)c1 2274057515 CDBGOLDDFZOYIB-INIZCTEOSA-N 432.143 4.898 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCN)c1ccc(Br)c2cccnc12 2293304312 HCDYCUKTIWIMCB-JOCHJYFZSA-N 427.342 4.787 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](C)N1C(=O)OC(C)(C)C 2296311083 RTDDHQPEIFQWTG-AHRSYUTCSA-N 435.406 4.957 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 2305197828 RRNOJGKMGPXROK-MASGSYHESA-N 428.573 4.696 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 2314429986 TVYGNTGCIUTPSR-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccccc2)c1 2314479003 YKEDURKYOWDUAD-SANMLTNESA-N 439.511 4.916 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1cccc(OC(=O)c3ccc(OC)c(OC)c3)c1)C2=O 2314527140 GSTAGJIBQSFMEJ-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CC#CCN(C[C@@H](NC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2316098071 LBHAMKHJQFPFMC-CQSZACIVSA-N 433.749 4.763 30 10 IJEE C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1(NC(=O)OC(C)(C)C)CC1 2317352784 BAYBOSHGESNFRK-INIZCTEOSA-N 430.354 4.551 30 10 IJEE CC[C@@](C)(COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317354550 PRQNKVPVZKTIIH-ZVQQDINOSA-N 432.370 4.798 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)C=Cc3ccc(F)cc3)C2)c1C#N 2318789384 UMHXVTYIHQXNNC-QGZVFWFLSA-N 439.556 4.947 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCc2nc(O)c3ccccc3n2)cc1 2321306851 DARBVYWQUMSOKG-UHFFFAOYSA-N 448.552 4.670 30 10 IJEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccccc3OC)cccc2OC)o1 2322485615 XRYWPTCUVYBLDR-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323149357 NLZVPWLJVWHXSE-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE CCOC(=O)c1ccc(COc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)o1 2323808746 UDEHJUJPRORCKF-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE CCCOc1c(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cccc1OC 2325589444 CICPLGBRDBWEPC-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1F 2325748620 IPCDPMUPGPMVJE-UHFFFAOYSA-N 434.419 4.875 30 10 IJEE COc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)cc1OC 2326561753 UDSUWVSVTLEWPD-UHFFFAOYSA-N 432.549 4.838 30 10 IJEE CCc1ccc(C=Nn2c(CCCOc3ccccc3C)nnc2SCCCO)cc1 2327133013 OIOSCRQAMNONHQ-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2327840057 VRXGNXWZBYXFJY-KFVVBQDRSA-N 448.568 4.900 30 10 IJEE C(=Nn1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)c1ccncc1 2328746525 INDHAGXALCDDPP-UHFFFAOYSA-N 443.576 4.902 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc(Br)c1 2328767208 HRAGFMJDQWSLSS-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE C=CCSc1nnc(C2CCCC2)n1N=Cc1cc(Br)cc(OC)c1O 2331081292 XKNYZNZXPYGIJU-UHFFFAOYSA-N 437.363 4.573 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc([N+](=O)[O-])c1OC(=O)C1CC1 2331851705 YHDZUJVYXYGFCA-UHFFFAOYSA-N 439.464 4.830 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)CCc1ccc(OC)cc1Br 2339441927 BWNVIKWMOZYMEH-KRWDZBQOSA-N 426.351 4.819 30 10 IJEE CC[C@H](CN(CC)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339536459 KJOQLZHHWYAABB-JUWJPQTCSA-N 445.413 4.856 30 10 IJEE C=C([C@@H](NCCC)[C@H](O)c1sc(Cl)cc1I)[Si](C)(C)C 2366648707 UMAQCNWOUNFZTG-OLZOCXBDSA-N 443.854 4.841 30 10 IJEE CN(Cc1ccc(Br)s1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2369087138 LWIRHYOPRUTITR-UHFFFAOYSA-N 440.187 4.581 30 10 IJEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1ccc(OCC)c(Br)c1 9697415 KOBFNZHCKKBEJS-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14036590 ROINMVKKYMQYCJ-UHFFFAOYSA-N 442.581 4.727 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Br)cc1 21249651 WHZDZNCRRNKQAT-CRAIPNDOSA-N 440.337 4.852 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)NC[C@@H]2CCCO2)cc1 22691530 LUDCJESJCGRJJO-IBGZPJMESA-O 447.571 4.863 30 10 IJEE COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)c1 33514099 SCPRZRCINQYPJM-QRVIBDJDSA-N 448.471 4.916 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C/c2cccc(OC)c2OC)C1=O 36258249 QRCMXCOXMDKBPI-QGOAFFKASA-N 425.506 4.556 30 10 IJEE C=CCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Br)cc1 39844269 KBEZXFQKWUDBCZ-UHFFFAOYSA-N 433.327 4.843 30 10 IJEE O=C1/C(=C/c2cc([N+](=O)[O-])ccc2O)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 103138978 SUYRXQZAULQIKW-BTRCZGFISA-N 445.500 4.973 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccn2)cc1 169995158 HTKIZEPIWUEFQU-XMMPIXPASA-N 428.488 4.582 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2cccnc2)c1 170000463 VNYITLIJBXHVLQ-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccncc2)c1 170025431 SPDOSVDBEIZTGB-XMMPIXPASA-N 442.515 4.876 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccncc1)c1ccc(F)cc1 170026175 XSOPLVGFEZCVPK-IBGZPJMESA-N 431.448 4.613 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N2CCCCC2)C1=O 170055074 AXTVJJAFARDAFA-UHFFFAOYSA-N 428.573 4.630 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066854 HIRNPBPWABXGHV-URXFXBBRSA-N 447.531 4.502 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2F)ccc1F 170072073 HNZHTSHMENFOGO-NRFANRHFSA-N 429.463 4.667 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 170082260 OONULSSSBVLXOY-FQEVSTJZSA-N 425.362 4.592 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1C 170135782 KPRNCMVKVRUZFZ-QHCPKHFHSA-N 435.520 4.929 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1c[nH]c2ccccc12 170256206 FRVZJWUPEVFFSO-HSZRJFAPSA-N 430.504 4.871 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)c(OC)c1 170298957 PRSVLRKAZGMQLG-NRFANRHFSA-N 437.423 4.527 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC)c1 170323711 JQPPIGPHTAABAY-MWTRTKDXSA-N 435.520 4.787 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OCCO)c1 170324661 JQTIOFBQLREKHS-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 442220094 XAXPWBPNYWCQIA-UHFFFAOYSA-N 429.402 4.767 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508919630 RLZQOSYVOGOGPX-SJORKVTESA-N 440.523 4.634 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 514801533 SYTWLNFBQOFPBM-UHFFFAOYSA-N 442.514 4.544 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)o2)cc1OC 526606464 ZZMXTFLEXFRCMP-QHCPKHFHSA-N 430.460 4.924 30 10 IJEE N#CCCCN1C(=O)CCc2cc(Nc3ncnc4ccc(Br)cc34)ccc21 527287019 RYSVUASPHDZWPS-UHFFFAOYSA-N 436.313 4.719 30 10 IJEE CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OCC 539265313 HOOCAFCLDRKZKW-GJZGRUSLSA-N 427.570 4.584 30 10 IJEE COC(=O)c1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1Br 548737499 WSULBRMPMZLMRC-IEBWSBKVSA-N 442.313 4.539 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N(C)Cc3ccccc3)C2)c1 585966430 NBSGEJJSEDGCSV-DEOSSOPVSA-N 448.611 4.970 30 10 IJEE Cc1cccc(C(=O)NC2CCC(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 586506737 OXFRZBFUJHCAON-UHFFFAOYSA-N 442.364 4.748 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669807703 FUCWSIJEEBEHFK-PGRDOPGGSA-N 427.508 4.666 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)N(C)C(=O)OC(C)(C)C 698488464 YSEPANABQBYXKC-SFHVURJKSA-N 433.549 4.974 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(CC)c1 733202510 SBWCUOYXACJVER-JOCHJYFZSA-N 433.577 4.849 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2I)cc1 733844758 BWZHCRBSIGTJLW-IBGZPJMESA-N 446.288 4.672 30 10 IJEE N#CC1(CS(=O)(=O)NC(=O)c2sc3cc(Cl)ccc3c2Cl)CCCCC1 760405047 DNOZARMDEJDQPN-UHFFFAOYSA-N 431.366 4.742 30 10 IJEE C=CCn1c(-c2cccs2)nn(CNC2(c3ccc(F)cc3F)CCOCC2)c1=S 764130631 LICYTTONNUPCPH-UHFFFAOYSA-N 448.564 4.860 30 10 IJEE N#Cc1cccc(COC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1F 774975359 WUQAFSATNRUNHJ-UHFFFAOYSA-N 440.500 4.890 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 777301934 HAFHNGACCMUPPJ-QFIPXVFZSA-N 428.536 4.884 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 779141092 GIIYECSFBGRFLI-XDJHFCHBSA-N 436.533 4.563 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1cccc(Br)c1)[n+]1ccccc1 917613581 OTMQETXJRQCGDJ-UHFFFAOYSA-O 437.342 4.932 30 10 IJEE CCN(CC)c1ccc(C=NNc2nc(SCc3ccc(Cl)cc3)n[nH]2)c(O)c1 1084323601 AFPIKUCINKPIQP-UHFFFAOYSA-N 430.965 4.748 30 10 IJEE C#CCN(C(=O)[C@H](C)OC1CCCCCC1)[C@H]1CCOc2ccc(Br)cc21 1126228158 GEZZQIRGTPHSOX-JXFKEZNVSA-N 434.374 4.862 30 10 IJEE C#C[C@H](NC(=O)CCc1cc(Br)c(Br)s1)c1ccccc1 1130119529 UPDDSHUWJYZRIL-AWEZNQCLSA-N 427.161 4.696 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(c3nc4c(s3)CCC4)CC2)CCCN1C(=O)OC(C)(C)C 1134470881 JAGSFXYGXWFCBY-XMMPIXPASA-N 445.629 4.684 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C1CC1 1144340607 DELJOMQICGRBCE-RUZDIDTESA-N 434.540 4.725 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1153987156 XJUZERPNJWXCTJ-GOSISDBHSA-N 446.613 4.501 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2c3ccccc3OC[C@H]2F)cc1OCC 1179579221 NAYPWDIZQNTEGL-XLIONFOSSA-N 436.321 4.974 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cc1Cl 1187442884 DNESLSAHOKGETA-UHFFFAOYSA-N 434.851 4.761 30 10 IJEE C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(C(F)(F)F)cc1 1189297913 FOJKIRXLFTUITE-NSHDSACASA-N 436.377 4.678 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1200392600 CXYHESHQGQIYNP-XYJFISCASA-N 430.574 4.554 30 10 IJEE N#Cc1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1F 1205986380 GTRPQDSUWATSIT-UHFFFAOYSA-N 425.467 4.931 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 1208000600 GVKCWIIYBFIIBX-FQEVSTJZSA-N 435.936 4.803 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)c1ccc(Br)cc1 1208516803 LKNTWYAZSSPIDY-SJORKVTESA-N 436.231 4.598 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC)c1ccc(Cl)cc1 1216722618 VFYQZRBENUHDSL-FQEVSTJZSA-N 441.959 4.850 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1248691190 LSPMOXBTUAIKEX-UHFFFAOYSA-N 425.330 4.533 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 1254599157 MDQOOIQVTRIPMA-LJQANCHMSA-N 433.430 4.767 30 10 IJEE C#CCN1CCC(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)CC1 1264377814 VBZUBRFIPPNLFP-UHFFFAOYSA-N 436.556 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cc(C)no1 1286423610 NCVJRPDIAPSYFQ-UHFFFAOYSA-N 445.523 4.620 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCC1CC(OC(C)(C)C)C1 1286451156 SSXQRPKHJUQMOO-UHFFFAOYSA-N 438.616 4.917 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Oc1ccccc1C 1286579830 UNIAQVMDKCRVGF-GOSISDBHSA-N 425.602 4.812 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1286643745 UDPOITGCWRHYCS-YLJYHZDGSA-N 443.389 4.845 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCSC2(C)C)CC1 1286649837 SFUIJJMKKSXGOY-GOSISDBHSA-N 428.602 4.554 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](CC(C)C)N(C)C)CC1 1286665832 PWJDRZPLPMDLAW-YPAWHYETSA-N 431.669 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286668142 PANOSSFYZNYMNW-SFHVURJKSA-N 427.593 4.580 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)C1 1287523095 FMULBHLBRBJFCW-FQEVSTJZSA-N 435.597 4.905 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 1292776303 JAYREXZACGIUNL-QFIPXVFZSA-N 440.515 4.958 30 10 IJEE CC[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CCN1Cc1ccccc1 1296188326 GXKTYKFQNQUCDM-SANMLTNESA-N 439.559 4.874 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@]2(CCSC2)C1 1300938736 GTPXAIMDOUACLA-FQEVSTJZSA-N 449.418 4.626 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@](C)(CC)C1 1301017047 GBMHRGXSPFMJGW-YWZLYKJASA-N 425.360 4.829 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1301088879 JCVNFYHIRQLDGD-UHFFFAOYSA-N 435.494 4.660 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](C)COC)CC1 1301114247 LPMOHSILSRZDDN-IBGZPJMESA-N 436.556 4.802 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1301145863 JUBDOPMGOFFZLN-IBGZPJMESA-N 437.567 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[C@@H]21 1301147876 IIAXXSJNPUZXJT-UXHICEINSA-N 443.636 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301155821 XHCSVSIPEOJADH-UHFFFAOYSA-N 445.652 4.918 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1C(C)C 1301595278 RMJNFUWAXBHTLK-HXUWFJFHSA-N 427.618 4.691 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](C)CSc1ccccc1OC 1308255543 CJVQHHKVBOIYQR-INIZCTEOSA-N 434.399 4.988 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(N(C)C)ccc1Br)c1ccccc1 1309807605 SNUJYERPJZKSMP-LJQANCHMSA-N 437.403 4.891 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)N[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)C2)cc1 1310586487 FBVBHFVZJIZAEU-KRWDZBQOSA-N 443.347 4.653 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(SC(F)F)cc3)CC2=O)cc1Cl 1354048242 BURDUOSBJTZBOY-AWEZNQCLSA-N 436.867 4.623 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC12CCC(CC1)C2 1358880584 OYXOGLCDHYQADT-HOKUHMFPSA-N 443.389 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1358882160 UOPVBJAGUSSYJY-BGWNEDDSSA-N 438.616 4.889 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)C2CC2)CC1 1359173784 OAVCBRCXYBZOAG-WAIKUNEKSA-N 430.980 4.635 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[C@@H]2C)CC1 1359174742 NQAOQUXSYIJDDS-DOTOQJQBSA-N 432.410 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359185475 XTCKWGAZLSUQKM-RXFWQSSRSA-N 438.616 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359189768 UPADLIJZRLBFMG-ROUUACIJSA-N 433.641 4.818 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC(F)(F)CO1 1359262246 MXLVLBFRWMFOCB-GOSISDBHSA-N 446.523 4.632 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)C(C)C 1359266083 SCPBWRZJPBXYPO-ZLNRFVROSA-N 443.680 4.571 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CCCC1 1359279565 LLAMUWYWHHXPMI-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359284296 FNLXJRFFJDWNKF-LJQANCHMSA-N 445.558 4.681 30 10 IJEE Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)cn1 1361284366 DIQZKFUDJDSCTL-UHFFFAOYSA-N 444.583 4.538 30 10 IJEE C#C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(Cl)cc1F 1436652403 GUOAWLRFRAUTEL-KRWDZBQOSA-N 426.738 4.966 30 10 IJEE Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1446785080 CEZHYPSJHCYPDJ-UHFFFAOYSA-N 448.939 4.622 30 10 IJEE C=CCC[C@@H]1CCCN1c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 1458675581 RYBIXFFMXOKFES-GOSISDBHSA-N 429.542 4.745 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncc(-c2ccc(Br)cc2)s1 1460585026 CQTTYNRJKHNPBL-LBPRGKRZSA-N 428.311 4.850 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)s1 1465915171 DYWNFFULHCNWTJ-YJBOKZPZSA-N 436.046 4.618 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](CCCC)C(=O)Nc1cccc(N2CCCC2)c1 1466207637 UBYYUSVMEDYDQN-HSZRJFAPSA-N 448.567 4.618 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccccc1 1469447913 HPVUOZIWMMTOFO-WOJBJXKFSA-N 444.316 4.902 30 10 IJEE CCc1ccc([C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)N(CC)CC)cc1 1470355515 GXHSGMMMQWIUMM-SANMLTNESA-N 448.611 4.757 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 1471575683 JTMWZNNQHDPMIG-UHFFFAOYSA-N 445.869 4.830 30 10 IJEE C=CCO[C@H]1CCN(CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)C1 1473305192 WFBMQTSFBZVRDP-QHCPKHFHSA-N 444.579 4.680 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1)C1CCOCC1 1475891888 BYJCDTJMQNDUAP-NRFANRHFSA-N 443.341 4.578 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2ccc(OC(F)(F)F)cc2)n1 1492495768 FLLLZURKJHCDJN-INIZCTEOSA-N 444.461 4.528 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](COC)C1 1507557534 LRAWEYLRCYTJDU-LJQANCHMSA-N 426.630 4.942 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](SC)C(C)(C)C 1507665544 XEKPZEFXZTWJSP-HXUWFJFHSA-N 445.032 4.848 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)c1ccc(Cl)cc1 1507765505 RBTAWIPQHHSQCH-ZJSXRUAMSA-N 435.959 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCN1CCCC 1507770540 NAASROXDZKIVHX-YIXXDRMTSA-N 449.643 4.546 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(F)(F)Br)CC1 1507900434 NAAGCCHTLDLQSK-UHFFFAOYSA-N 448.315 4.883 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1507905956 XNCQDNBTGPBTHB-GOSISDBHSA-N 438.597 4.809 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1507957381 HBDSVFSJCLNLAU-SFHVURJKSA-N 441.526 4.876 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCC2(CCCCC2)O1 1507985956 FWBAAKSSOCWXKC-HXUWFJFHSA-N 440.588 4.760 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1507988120 PPDMNKXAQQMONH-VQTJNVASSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@@](C)(CC)O1 1508007473 CACPODRKVXAASW-ATIYNZHBSA-N 449.574 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCC(C)(C)C1 1508007977 JVYWGUDUZWVIJM-HXUWFJFHSA-N 443.661 4.548 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1nccs1 1508027036 KWKIEXOJAAKVQM-UHFFFAOYSA-N 425.945 4.931 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCC(C)C)C1 1508118893 UWLPEAXUQLUGMJ-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=C(C)[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccc(F)c(F)c1 1517412109 TVCGCBQSEMPJMK-XMMPIXPASA-N 448.469 4.928 30 10 IJEE C=CC[C@]1(C(=O)O[C@@H](C)c2ccc(-n3cccn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1526982590 IAUNQGFHSBVDFX-BXKMTCNYSA-N 443.519 4.961 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccc(Br)cc1 1528082236 VVHXJRUARASTPH-QGZVFWFLSA-N 448.242 4.758 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cccc(F)c3Sc3ccccc3)CC2)c(F)c1 1529367855 FWVSLXNNCQCVPI-UHFFFAOYSA-N 435.499 4.950 30 10 IJEE N#Cc1ccc(CNC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1Cl 1530277296 ABZMIMSFFDZNSJ-UHFFFAOYSA-N 429.282 4.609 30 10 IJEE C[C@H](C#N)N(C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)C1CC1 1531360321 DXUXZWIDIMEQID-GFCCVEGCSA-N 431.443 4.531 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)c2C#N)[C@@H](C)C1 1534153714 AWETYTFUQGGPBU-XZYPCVKCSA-N 425.529 4.603 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)cc1 1537514494 YGWTYKSDDJRPBU-UHFFFAOYSA-N 431.348 4.984 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccccc3OC)cn2)ccc1OC 1537916422 HARZJJVUMGRSSQ-SFHVURJKSA-N 447.491 4.502 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cccs1 1539511159 SQKWKSBYOYRUCG-UHFFFAOYSA-N 435.578 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)c1nccs1 1539646334 VMGLTRZDYJCMQS-SFHVURJKSA-N 438.601 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1csc(C)n1 1539652393 RMCCVCJWZCIJIS-UHFFFAOYSA-N 433.528 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)c1ncc(C)s1 1539669065 KMRDCLNQWKUNHW-OXQOHEQNSA-N 439.585 4.762 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1539783041 LSJLYHFANUYZTL-YOEHRIQHSA-N 442.734 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCSC2)C1 1539929328 SLDZOSAYTCYQFU-DEOSSOPVSA-N 442.629 4.801 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1539939778 KCWYZAGFPNEIRY-XZOQPEGZSA-N 433.600 4.895 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1539971371 FBZHNRYZVGVPJR-XMMPIXPASA-N 430.600 4.725 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@@H]1C(=C)C 1540129670 WWIXTMQWXGBTJO-ISKFKSNPSA-N 433.600 4.912 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC1CCC1)CC1CC1 1540857968 YDNQVEXWYVOZFF-UHFFFAOYSA-N 429.609 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2CC2)C1 1540886089 VIWDYCSKVCXICF-OAHLLOKOSA-N 437.769 4.552 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCCC2)C1 1541552933 HVWLXDNWZNTXMJ-QHCPKHFHSA-N 434.632 4.955 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@@H](C)C2)c1 1543736764 JEYRHLMCOQVTTP-MSOLQXFVSA-N 447.000 4.887 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)OCC 1544338349 BLWKVVMLCSGZMG-GOSISDBHSA-N 434.901 4.550 30 10 IJEE C#C[C@H](CO)NC(=O)c1c(C)c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc12 1556796127 PJIWOLFYBYNUJT-HXUWFJFHSA-N 442.465 4.879 30 10 IJEE C#CC[C@@]1(C(=O)NCc2cccc(-c3csc(C)n3)c2)CCCN1C(=O)OC(C)(C)C 1557716021 QPFBSVHRNDUDFV-DEOSSOPVSA-N 439.581 4.528 30 10 IJEE C=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1)C(=O)OCC 1559321107 DDFZMCXEOPGQAR-UHFFFAOYSA-N 429.929 4.808 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCC[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2n1 1563301895 OJCMUQXTBDOEPR-GOSISDBHSA-N 441.576 4.771 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(F)c(Br)c1 1565724079 ALJDJYOOFNDHRN-CQSZACIVSA-N 444.304 4.830 30 10 IJEE C#CC(C)(C)NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1565755764 BAOOUBKZFCQAGP-LJQANCHMSA-N 430.548 4.566 30 10 IJEE C#C[C@H](NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)c1ccc(Cl)cc1 1583550375 YKROFFLCDOPZSV-RLKVQFJASA-N 445.935 4.544 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CSc2ccccn2)c1 1583923990 LMTZFZLPWUMHSI-IBGZPJMESA-N 425.554 4.619 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 1584863030 AVVRCUFPQQYTKN-HSZRJFAPSA-N 445.563 4.512 30 10 IJEE N#C[C@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)c1ccc(Cl)c(Cl)c1 1585302144 FJFAETHJOWHQHJ-AWEZNQCLSA-N 443.212 4.606 30 10 IJEE Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 1586935370 GWTJWOAILKTGQL-CQSZACIVSA-N 435.343 4.921 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1589503493 DPVSUALYADCWDC-CIWUYKSXSA-N 433.021 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1594504139 IGJQALILCBFVOY-UHFFFAOYSA-N 443.611 4.549 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCSC1 1595229138 OPLRSUKQCKTPQO-MRXNPFEDSA-N 449.418 4.551 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1611646494 GXEWDVSMMQWYPC-QGZVFWFLSA-N 448.537 4.572 30 10 IJEE CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1611764966 BTJZINAJHCCZMN-GOTSBHOMSA-N 427.980 4.670 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCC2(C)C)cc1OC 1616331017 DEZNTEXETFEXIU-IEBWSBKVSA-N 425.577 4.917 30 10 IJEE C[C@H]1CN(c2ccncc2)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1616806571 ATEBEIWROGNJGP-KRWDZBQOSA-N 432.911 4.750 30 10 IJEE C=CCOCCNC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1618656300 ZSZBXCAQFUZRPP-UHFFFAOYSA-N 427.342 4.849 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(Cl)s1 1619389829 HCUKTEPLZVEMNH-UHFFFAOYSA-N 427.961 4.847 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 1633643091 APBPLWARMPLXKM-QYZOEREBSA-N 440.943 4.540 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 1635235770 AIDVINVRQOZXNP-HXUWFJFHSA-N 431.577 4.664 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 1635815466 UDNSGRYLRHRCQS-IBGZPJMESA-N 436.394 4.548 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1)c1ccc(Br)cc1 1636563341 XGFJUGDIZCPKMY-LEWJYISDSA-N 426.358 4.736 30 10 IJEE C=CC[C@@H]1CCN1C(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1640141558 MZGJWURZIYHBHI-MZEQIWSPSA-N 448.563 4.674 30 10 IJEE C#C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1F 1640462803 BQDXAILGISRHNP-PMACEKPBSA-N 435.326 4.768 30 10 IJEE C=CCOc1ccc(-c2nnc(SCCCN3CCN(c4ccccc4)CC3)o2)cc1 1640985867 PPPQYYVYAJAOIO-UHFFFAOYSA-N 436.581 4.606 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1 1649663306 GMXOILWTQWVBKL-MOPGFXCFSA-N 431.556 4.972 30 10 IJEE Cc1c(Cl)cnc(N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c1C#N 1650756915 HGJUVUPXUUWPCU-UHFFFAOYSA-N 436.918 4.960 30 10 IJEE Cc1cc(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)cc(C)c1OCc1ccccc1 1655201325 GGJOFQFUBNJCDA-DEOSSOPVSA-N 432.545 4.720 30 10 IJEE C=CCn1c(SCCOc2ccc(F)c(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 1656076876 QZESGXMHEASUEF-IBGZPJMESA-N 447.919 4.940 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1cccnc1Cl 1657161976 UEHQLLZZCNPKOX-GFCCVEGCSA-N 426.717 4.652 30 10 IJEE CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1658735878 FNKCIIWUNBXZQZ-VWLOTQADSA-N 430.508 4.941 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccc(F)c(F)c1 1661498169 FTEDZBBCYMISFQ-MRXNPFEDSA-N 437.251 4.776 30 10 IJEE C#CCC[C@@H](O)CNCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 1663180799 HXEHXSSCKWSJSR-OAHLLOKOSA-N 426.713 4.898 30 10 IJEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1667489962 CLLGYYWAWJPKOG-UHFFFAOYSA-N 440.466 4.688 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1670779285 ADZBBVPYBQRTDP-RBUKOAKNSA-N 431.458 4.513 30 10 IJEE N#C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Oc2cccc(Br)c2)CCO1 1671967518 ATPFDZQQUJFFQA-OAHLLOKOSA-N 436.693 4.651 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCCCCc1nc(-c2ccc(Cl)cc2)no1 1671997201 OPCJBGCHNPGRNT-MOPGFXCFSA-N 432.952 4.526 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCO)[C@@H]1CCc2ccccc21 1672209806 JYYKFHAFSPBOTB-LJQANCHMSA-N 431.330 4.528 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCO[C@@H]1CCCC[C@H]1C 1675838084 MNVAIWIHOANAIN-DNVCBOLYSA-N 427.358 4.881 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CCOCC1)c1ccc(Br)cc1 1678827553 FXYQVRIANBFEOQ-NHCUHLMSSA-N 427.342 4.591 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCCSc2ccc(Br)cc21 1679243134 CCWCTXFUYQAUSR-SFHVURJKSA-N 445.382 4.888 30 10 IJEE N#Cc1ccc(CNC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1F 1682015462 FRJXSZHTOGDIPY-KRWDZBQOSA-N 434.334 4.536 30 10 IJEE C=C(C)[C@H](NC(=O)N(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)c1ccc(F)c(F)c1 1686174226 ZYXFTNNBELXDAZ-YDHSSHFGSA-N 430.495 4.803 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C(CC)CC)no1 1689863608 XKAXBIYCEHNHKA-LJQANCHMSA-N 435.572 4.872 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1689947566 IBBNKEAZZGOJEY-BBTUJRGHSA-N 430.980 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1cccn1 1690198290 IZFANXXANHNYFW-OAQYLSRUSA-N 429.355 4.531 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1690225644 GLJGLZBILICLHC-LJQANCHMSA-N 440.345 4.599 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1Cc1cccs1 1690315524 DHXPBRANBLWHHT-HXUWFJFHSA-N 440.588 4.874 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2CCC(OC)CC2)CC1 1690369705 USBCHCWDVJOBQO-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(COCC)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)CC1 1690384201 JAKFOPCYYUSFBY-UHFFFAOYSA-N 441.576 4.561 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OCC(C)C)C1 1690496201 LVPVRZKFUKZCIM-UXHICEINSA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1 1690576181 QISLDNLFHYRBJS-UHFFFAOYSA-N 433.581 4.766 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1690602748 VXOPFCNYISQGGA-BGYRXZFFSA-N 429.609 4.808 30 10 IJEE CC(C)(C)OC1CC(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1692851642 GENDWIGUSNKVGS-DXXLFZTRSA-N 429.609 4.634 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2csc(CC)n2)cc1 1694507144 GLHMNYJWWZSEKB-DEOSSOPVSA-N 434.613 4.899 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1705511969 LFPRBMYXYXOWMB-JOCHJYFZSA-N 449.002 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccc(F)cc2)CC1 1705603871 ZAJOVDDYWSDDET-DHIUTWEWSA-N 448.586 4.531 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1705608269 KWFHKTPHSQMIIZ-KOSHJBKYSA-N 444.023 4.577 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCC(C)C)C1CC1 1705695342 IGZKRKDODMNIEB-SIKLNZKXSA-N 439.560 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1705715910 SWLPHJFLGBUUQA-QUCCMNQESA-N 436.560 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705789241 DFBYTRJAZMHMFC-LJQANCHMSA-N 449.555 4.592 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](CC(C)C)N(C)C 1705837427 AUDLBRCKPCKHDL-GOSISDBHSA-N 434.426 4.615 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CC1([S@](C)=O)CC1 1705864277 WIHYQTKKJDAAHO-LJAQVGFWSA-N 447.029 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705871114 YHGLJAWQQBOGNL-QGZVFWFLSA-N 445.489 4.754 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1OCCC1(C)C 1705879285 TYWLVTHKMDMIIP-QFIPXVFZSA-N 436.556 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(N(C)C)CCCCC2)C1 1705919824 LHCQFNQZNIITTQ-QHCPKHFHSA-N 437.632 4.553 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)Cc1cccs1 1722291985 LWHGVFLHLQANSM-ZWKOTPCHSA-N 431.565 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1722401512 AQHQXVSICCVEOF-FGZHOGPDSA-N 436.625 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCCOC1 1722493222 XHJPABWSXIIEAZ-BUZMGHMJSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C[C@H](C)CC 1722505275 AZHDMXCZNGJVLH-NNLJWKLDSA-N 440.588 4.644 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@](C)(O)CCC)CC1 1722560503 BLRPHEPKQUYTHU-FQEVSTJZSA-N 437.357 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CCC 1722585054 PCWCNMBZIXUGIL-QGZVFWFLSA-N 446.665 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1722591578 OCOGJVQMJJTKAR-ICSRJNTNSA-N 443.636 4.984 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCSC1)C1CC1 1722645227 FHUTYUPWQWQLNH-CYBMUJFWSA-N 437.382 4.755 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCSC1 1722660392 UXJXISSZCIGRFM-ICSRJNTNSA-N 430.593 4.647 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](n3cc(C)cn3)C2)nnc1C(C)(C)C 1722708466 VAFMHAYGKGNWGL-OAQYLSRUSA-N 434.588 4.535 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCO[C@H]2CCCC[C@@H]2C)C1 1722718836 VETGITBLNVNPJH-ZTCOLXNVSA-N 438.616 4.884 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCSC(C)(C)C1 1722735353 PVKPFVNVNAIBSZ-UHFFFAOYSA-N 440.585 4.798 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1740714444 YQACIRAIEQHXBF-FCHUYYIVSA-N 438.641 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC[C@@H](OC)C(F)(F)F 1740729993 QOEXITJZMKNQQE-VQIMIIECSA-N 426.870 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCc1ncc(CC)s1 1740734209 UYCIIHCUZQJVCK-RUZDIDTESA-N 449.624 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]1CC 1740768048 SPMRFHSKPAVDMH-NMMYMHLASA-N 440.588 4.616 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740793235 PYEPRKVDHVKPGN-OAHLLOKOSA-N 444.448 4.519 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(CCOC)CC2)CC1 1740832833 IYXYTTGTHFSJMD-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1740834795 INLMUDQYJSUZPB-IBGZPJMESA-N 449.599 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740849550 MZIDNCKOEQQDKU-HXUWFJFHSA-N 448.590 4.720 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nc(C)cs1 1740935025 ZJQRVWYPXDIUJJ-WIYYLYMNSA-N 437.613 4.933 30 10 IJEE C=CCn1c(N2C[C@@H](c3ccccc3)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950173 UEEOGQFNXXKZJV-PBASOCQRSA-N 437.588 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCC(C)CC2)nc1 1748659169 DCDIYYQDOAAGKS-LJQANCHMSA-N 449.002 4.736 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1sc(C)nc1C 1748833189 LHXIHJUHBKWXFX-INIZCTEOSA-N 449.649 4.520 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCCC(F)(F)C1 1748953893 WLTRZOPCGNYFGL-GOSISDBHSA-N 442.510 4.993 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)OC1CCCC1 1749085781 FIIAKWXHNUEXGV-AWEZNQCLSA-N 439.329 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CCCCn1cc(Br)cn1 1749158360 IALAMFZGDLBKOD-UHFFFAOYSA-N 437.430 4.709 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749280033 ACSLQQVAWSPULZ-LJQANCHMSA-N 446.910 4.830 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1749293697 FBPYKDSDJISHMI-OALUTQOASA-N 443.039 4.906 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@H]2OC)CC1 1749297031 YDIHNWJMAAUVTA-VQIMIIECSA-N 431.378 4.679 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOC 1749587311 OYSZUAZQRPTGBP-QGZVFWFLSA-N 426.586 4.606 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCS2)c1C 1751317317 COWKPRYJPPWYBG-QUCCMNQESA-N 425.602 4.671 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1760148658 HXFNXSXYCPGCJE-HXUWFJFHSA-N 435.597 4.824 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN(C(C)C)C(C)C 1760173210 NRWXAOFQVLTGKW-UHFFFAOYSA-N 427.662 4.854 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCC)CC1 1760245391 BACVSHPINAJWHN-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760298060 UJBQVRVUZFTMEZ-NRAIQUKZSA-N 442.991 4.706 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C)C1 1760317307 DNOLMVCOCMXYRN-POAQFYNOSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@H](SC)C1 1760318237 MVZZLCHLGBTVLI-HJNYFJLDSA-N 442.629 4.657 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nnc(CC)s1 1760330119 SWOXWCVICLAVCC-HNNXBMFYSA-N 447.008 4.936 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(OC)c(F)c2)CC1 1760405459 ZHFVJPAAYHOKAY-UHFFFAOYSA-N 426.561 4.723 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CCCO)CC1 1760434277 VIKLHZKLEOHWKL-UHFFFAOYSA-N 433.394 4.663 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC(F)(F)C1 1760478689 PAPKOCLQGLJBDM-UYAOXDASSA-N 432.515 4.766 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC)c(Cl)c2)C1 1760549495 FUVLYVKPKALYQE-IBGZPJMESA-N 430.980 4.502 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC[C@@H]1C)OC 1764045849 GXGKXXRFVFSWKV-UWJYYQICSA-N 427.618 4.600 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1CCCC(F)(F)F 1770525326 DAAPPDDPZWVIRL-AWEZNQCLSA-N 427.496 4.517 30 10 IJEE O=C(C[C@@H]1SC(=NN=Cc2ccc(-c3cccc(Cl)c3)o2)NC1=O)c1ccccc1 1772741752 AWKCFNFKOMBTSF-FQEVSTJZSA-N 437.908 4.795 30 10 IJEE COc1cccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccccc2)c1 1857811030 HNTWKFIRTQWNHK-XYGWBWBKSA-N 427.533 4.868 30 10 IJEE Cc1c(Cl)cccc1NC(=O)COc1cccnc1NC(=O)Nc1ccccc1C#N 1858828658 XRXMYICXFBVYDB-UHFFFAOYSA-N 435.871 4.577 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccc(OC)cc4)oc3c2)nc1C 1859736995 HAMOPDPDYUGZPS-UHFFFAOYSA-N 449.488 4.863 30 10 IJEE Cc1c(C(=O)Nc2c(C#N)cnn2-c2ccccc2)c(=O)oc2c(Cl)cc(Cl)cc12 1859744237 XOCINAYFXRAXHW-UHFFFAOYSA-N 439.258 4.718 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1ccco1 1862456732 YRJWCYRFSDIMTL-FQEVSTJZSA-N 427.378 4.784 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCO)cc1 1862549335 MXXGJQFYYRMBPJ-XMMPIXPASA-N 447.575 4.824 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862557496 LYFIIYZPCZHIPY-HSZRJFAPSA-N 434.536 4.969 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862590676 NIFFHDPZTWBOBD-HSZRJFAPSA-N 431.463 4.872 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F 1862672954 IHCHZKJLRBHVIR-NRFANRHFSA-N 429.463 4.750 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1862750812 FJYFENZEHAPWDI-IBGZPJMESA-N 438.823 4.620 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccccc2F)C1=O 1863645007 WIXLNYOLLWDUFH-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE C=CCNC1=C(c2c[nH]c3ccccc23)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1863820913 LMSBDLVNLMSPSW-UHFFFAOYSA-N 433.511 4.813 30 10 IJEE CCCCCCOc1ccc2[nH]cc(C(=O)Nc3ccc(C#N)cc3[N+](=O)[O-])c(=O)c2c1 1866444286 VIIJPSDJKAKMIT-UHFFFAOYSA-N 434.452 4.519 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 1866715700 OIKLZHYCZQBAIG-YWZLYKJASA-N 429.973 4.582 30 10 IJEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1870112019 MBPDMTLWQHPDNE-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2Cl)c(=O)cc1CNc1ccccc1 1871095173 HKKKHMYSVYJOLF-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN4CCc5ccccc5C4)c(O)cc(C)c3C2=O)cc1 1871394540 DAMPICHZZIFQTL-OYKKKHCWSA-N 427.500 4.884 30 10 IJEE CC(=O)c1sc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)nc1C 1871433617 IKLDQCBHGCEFCA-GRSHGNNSSA-N 448.500 4.596 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450283 DZEQUHCSPNWCOS-ZDXHCBJDSA-N 448.406 4.756 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871452281 CLEFKVYXCOADIM-JAIQZWGSSA-N 425.824 4.575 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871458859 NURSKOGGIBZQRS-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871889268 KIUJAFJBILTZHH-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE COc1ccccc1-c1csc([C@H](C#N)C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1872763419 LROITUPVLWDOMA-LJQANCHMSA-N 447.560 4.722 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC)c(OC)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276389 FDHOREUGBSMDFY-UHFFFAOYSA-N 440.499 4.749 30 10 IJEE C=CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873592060 ZZVGTBMYGCBLGZ-CALCHBBNSA-N 437.975 4.683 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874339614 DDQVZHPOQPHDTR-WSDLNYQXSA-N 427.917 4.981 30 10 IJEE CCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874488177 OJXROWOWUCMDCP-OEAKJJBVSA-N 439.541 4.958 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1c(F)cccc1Cl 1874504632 WMXBYLBEXXGTHJ-BHGWPJFGSA-N 449.914 4.775 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2F)cc1C 1874510163 JUSRMTYLOXBIBK-OPEKNORGSA-N 443.523 4.910 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCC)nnc2SCC(=O)N(CCC)CCC)cc1 1874510778 VNXLCGHXFWXOOA-JJIBRWJFSA-N 445.633 4.642 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)C)cc1 1874511667 JHWFQBCSYXDQGY-ZMOGYAJESA-N 425.533 4.716 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1C 1874606825 IQPKZSKCOZXQNS-VMPITWQZSA-N 439.895 4.841 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OC 1874607158 FKNAQUNHBHQJEI-CSKARUKUSA-N 445.943 4.809 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)[C@@H]1CCCO1 1875160631 VSFJDTPVIIIBIY-HDFUYHJRSA-N 438.520 4.982 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880109566 CGZBLRVRBVOFAZ-NTKDMRAZSA-N 429.561 4.963 30 10 IJEE C=CCCOCCNc1c(Br)cc(Br)cc1Br 2000051466 OEKBXDLNROYVNG-UHFFFAOYSA-N 427.962 4.979 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H]2CCCC[C@H]21 2009371095 OFUIEIQCJDVJCX-SXGZJXTBSA-N 447.498 4.858 30 10 IJEE COC(=O)c1ccc(COc2ccccc2C=C2SC(=NC3CCCC3)NC2=O)cc1 2040461131 AFFGHVQZEWAFGS-UHFFFAOYSA-N 436.533 4.555 30 10 IJEE C#CC[C@@H](CC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076078807 KXYVERSGQRVQOA-QHCPKHFHSA-N 438.612 4.945 30 10 IJEE CCc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079090773 REZXKSQMMHCZGB-KRWDZBQOSA-N 431.321 4.973 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(O)c1 2079137750 DDFIDIJCMPBASM-GOSISDBHSA-N 435.309 4.886 30 10 IJEE Cc1ccc(Br)c(Cn2nc(C3CCOCC3)c(C#N)c2Br)c1 2080343674 SQURIXLTHTXNGZ-UHFFFAOYSA-N 439.151 4.531 30 10 IJEE Nc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)n4)c(C(F)(F)F)nn13)CCCCC2 2081306758 NSVCFHGBPFDUBG-UHFFFAOYSA-N 433.331 4.819 30 10 IJEE C=CCC1(NC(=O)c2cc(C)c(Br)s2)CCN(C(=O)OC(C)(C)C)CC1 2118140745 PWNKCTRYEQIKPE-UHFFFAOYSA-N 443.407 4.895 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2136322104 BDCABIWDVBBQQL-ROUUACIJSA-N 427.383 4.968 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 2159128592 UEXOTSNBBQJZBU-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCC2)c2ccc(C#N)c(Br)c2F)C1 2174767430 JXURPLHNXUXMAT-UHFFFAOYSA-N 438.341 4.686 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2180959565 FSZOEOCITOKMLR-KZNAEPCWSA-N 441.410 4.725 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2ccccc2Br)c2ccccc21 2235740565 PORBFEOXHAERQT-FXAWDEMLSA-N 428.326 4.700 30 10 IJEE Cc1cc(Br)c(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)s1 2237677841 CTHMXMXNLHHKQP-UHFFFAOYSA-N 440.143 4.510 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@H](O)C#Cc2ccccc2Cl)C1 2252763589 KICSFKLYFZCAKG-JOCHJYFZSA-N 441.955 4.506 30 10 IJEE CCN[C@H](C#Cc1ccccc1F)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2255273576 NPXABEZUZVVUGE-CTUHWIOQSA-N 440.559 4.654 30 10 IJEE CCN(CCCOCc1ccccc1)Cc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2260849271 TWSWHHJZFBDGDP-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(F)c(F)c(Br)c(F)c1F 2267784527 ISSFZNGVSRAOSN-AYVTZFPOSA-N 442.247 4.898 30 10 IJEE CN(Cc1ccc(I)cc1)c1cc(Br)cc(F)c1C#N 2280330707 ISSZVJPNSGQLNP-UHFFFAOYSA-N 445.073 4.701 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC)c2)c(OC(=O)c2ccc(F)cc2)c1 2296001949 KGXCFUARFNLXLX-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2296219865 SDXFTVPFBCNSPL-PMACEKPBSA-N 435.406 4.720 30 10 IJEE C=CCN(CC[C@H](C#Cc1cccc(Br)c1)NCCC)C(=O)OC(C)(C)C 2296271595 GIBPCQRPYYPGJY-FQEVSTJZSA-N 435.406 4.982 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CCC1CN(C(=O)OC(C)(C)C)C1 2296274441 UUPYEBCJAXRMBB-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296303655 YQHMASWDDUWYGL-OTWHNJEPSA-N 435.406 4.718 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC1CC(NC(=O)OC(C)(C)C)C1 2296304114 CJZWHGAPQPQBOF-SKINQDTJSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2296310046 DOZJEJYEVDZCMH-PMACEKPBSA-N 437.422 4.966 30 10 IJEE CCOC(=O)c1sc(NC=C2C(=O)N(c3cccc4ccccc34)N=C2C)c(C#N)c1C 2297533310 PVNQQAVSYHZVOK-UHFFFAOYSA-N 444.516 4.977 30 10 IJEE CCN=C1SC(=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C(=O)N1CC 2313562066 BUKOSPUUZXANBJ-UHFFFAOYSA-N 431.945 4.758 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)o1 2325402267 YKJCBXMVUYZTOA-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cc(C)ccc1O 2326006578 JKYUQQOPXNKDAG-UHFFFAOYSA-N 430.961 4.951 30 10 IJEE CCOc1ccc(OCc2nnc(SC)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2326629218 NHKJZMKRWRXSDQ-UHFFFAOYSA-N 436.459 4.879 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cccc(OC)c1 2326801750 MGNJWUYOSDSWKV-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE COc1cc(C=NNc2ncnc3[nH]cnc23)ccc1OCc1ccc(Cl)c(Cl)c1 2328810601 MYONFXUBXQQLAQ-UHFFFAOYSA-N 443.294 4.693 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)c1 2331485012 JKIUOALPMZHYLC-UHFFFAOYSA-N 449.580 4.947 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339546490 IMTACQVXNKJPLF-UHFFFAOYSA-N 443.397 4.562 30 10 IJEE CC1(C)OB(c2cc(N[C@@H]3CC[C@@H]3OCc3ccccc3)nc(C(F)(F)F)c2)OC1(C)C 2339597173 OQHFCPRFOQBPEM-MSOLQXFVSA-N 448.294 4.559 30 10 IJEE C=C[C@]1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339601201 VUIMPTBQVWJNKG-DEOSSOPVSA-N 442.365 4.671 30 10 IJEE N[C@H](C#C[C@H]1CC1(F)F)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341044065 AVJKSYBYCASJAR-ZEVJAHDQSA-N 449.497 4.864 30 10 IJEE C[C@H]1C[C@](C#N)(Cc2ccc(I)c(Br)c2)C[C@@H](C)O1 2349877641 HJSJHOOJEBNOEY-HBYGRHMLSA-N 434.115 4.694 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 2360194153 IZPIBGLBWWOISR-WCIQWLHISA-N 433.390 4.567 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365054229 JGWIYHAZONCWDO-MDIOPLHYSA-N 445.416 4.970 30 10 IJEE CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1 3178725 CFUACENUJTXILP-DAFNUICNSA-N 444.373 4.692 30 10 IJEE C=C(C)COc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OCC)c1 9697502 WLJYQDNEEKVGIG-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE O=C1CCCC2=C1[C@@H](c1cccs1)c1c([nH]c(SCc3ccccc3F)nc1=O)N2 17177787 OXZGJQPBCXKQKY-GOSISDBHSA-N 439.537 4.827 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1 35024510 LSKPUXCDUWZAEC-FYSMJZIKSA-N 443.499 4.944 30 10 IJEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccncc2)C4)cc1 41646354 HRGZVMWUZKXAOJ-QRVIBDJDSA-N 428.488 4.757 30 10 IJEE CC(=O)Nc1cc(C(=O)/N=C(\NCc2cccnc2)Nc2ccc(C(C)C)cc2)ccc1C 46127754 BRZFWQDJOUSENZ-UHFFFAOYSA-N 443.551 4.870 30 10 IJEE O=C(/N=C(/NC[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 46133041 SOCQXXNGJZLGAG-QGZVFWFLSA-N 425.838 4.736 30 10 IJEE Cc1c(/N=C/c2ccc(SCC(=O)Nc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 59382175 ALACPAGXJUHWPM-MFKUBSTISA-N 446.532 4.559 30 10 IJEE CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 59446575 MNJJGUCIRNLCDF-KRWDZBQOSA-N 436.364 4.964 30 10 IJEE Cc1cccc(NC(=O)N2CC[C@]3(C2)Nc2cccnc2N/C3=N\Cc2ccccc2)c1 96309985 FZFXIECWLZBALS-RUZDIDTESA-N 426.524 4.503 30 10 IJEE biogenic COc1cccc(/C=N\n2c(S)nnc2Cc2ccccc2)c1OCc1ccccc1 169911551 DQDWPXVNKDTUNC-XYGWBWBKSA-N 430.533 4.627 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2-c2ccco2)ccc1OCc1ccc(C)cc1 169913276 XJGKFRBBTWQXLJ-OYKKKHCWSA-N 434.521 4.995 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 169922132 ZSYKEPPLIGRUHW-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCN1C(=S)N[C@H](c2ccc(OC)c(OCc3ccc(C)cc3)c2)C2=C1CCCC2=O 169933065 QYNLLPRPPNHYES-XMMPIXPASA-N 436.577 4.841 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)c1 169983927 IDRLPXWYFICIEY-LJQANCHMSA-N 427.428 4.818 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 170054104 MHOTVOYZYBNDFP-DEOSSOPVSA-N 427.500 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)cc1OC 170154227 JVPKPPRMFOSARU-IBGZPJMESA-N 441.530 4.605 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)ccc1Cl 170174167 SXFQSXNKQPIXOR-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170222862 OOEXJRGVRQIGTG-HSZRJFAPSA-N 429.447 4.934 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(C)o2)c1 170301302 ANQRXJHNQOYHQI-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303600 UCYSABBFJOBNJP-OAQYLSRUSA-N 435.863 4.959 30 10 IJEE C=CCN(C[C@@H](Cc1cc(Br)ccc1OC)NCCC)C(=O)OC(C)(C)C 406732807 ZCPABJMVIVLFLN-GOSISDBHSA-N 441.410 4.792 30 10 IJEE C=CCN(C[C@@H](Cc1cccc(F)c1Br)NCCC)C(=O)OC(C)(C)C 407873446 KZDOGJNMDGUTPK-MRXNPFEDSA-N 429.374 4.922 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 442270452 HCXZVUBAOWLSLG-UYAOXDASSA-N 437.506 4.757 30 10 IJEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1Br 526803712 JDYYORZGKDYSKC-JJFYIABZSA-N 431.359 4.922 30 10 IJEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(O)c(Br)c1 526812476 XEFRINVTFAHTPD-UKWGHVSLSA-N 437.750 4.883 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 534236251 RKKZSSUAARFNRC-QGZVFWFLSA-N 430.938 4.747 30 10 IJEE C=C(C)Cn1c(N2CCO[C@@H](c3ccsc3)C2)nnc1C(F)(F)Oc1ccccc1 581956288 HQSHYIAHVJWFET-GOSISDBHSA-N 432.496 4.622 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)o1 615385763 RWNNFNOIBQNIGI-IERDGZPVSA-N 444.491 4.585 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 669807133 BSDXMUNTLRLTLP-LJQANCHMSA-N 436.560 4.513 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 687754525 KJUGNADOIZJCID-AREMUKBSSA-N 426.472 4.787 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1F 689648694 XSPNDXHXAIAOTC-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)c1 738955112 OZWCRWSUWIIZDP-HSZRJFAPSA-N 432.568 4.902 30 10 IJEE C#CC[C@@H](NC(=O)CC/C(C)=C\Cc1c(O)c2c(c(C)c1OC)COC2=O)c1ccccc1 760853715 NYOGKZRJKIEOLF-TWMGVTGTSA-N 447.531 4.529 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCN(CC(F)F)[C@@H](CC)C2)c1=S 765717270 PXPUDSSPBBCNSM-KRWDZBQOSA-N 441.979 4.539 30 10 IJEE COc1ccc(-n2c(-c3cccc(OC)c3)nn(CN3CCC(C)(C#N)CC3)c2=S)cc1 779879760 OMQFUARXIYTNDB-UHFFFAOYSA-N 449.580 4.671 30 10 IJEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 787052636 NVHHAUFGNDRKPJ-NRFANRHFSA-N 449.850 4.679 30 10 IJEE Brc1ccc(-c2ncc(C=NNc3nnc(-c4ccccn4)s3)s2)cc1 788030157 LQGJPLPEQWWTOO-UHFFFAOYSA-N 443.355 4.932 30 10 IJEE CCCCNC(=O)NS(=O)(=O)c1ccc(N=Cc2c(Cl)cccc2Cl)cc1 1084393626 RBUKFRLCWGWXLX-UHFFFAOYSA-N 428.341 4.532 30 10 IJEE CCc1nnc(NS(=O)(=O)c2ccc(N=Cc3ccc(Cl)cc3Cl)cc2)s1 1084569975 QMAQAHBSPWPBNG-UHFFFAOYSA-N 441.365 4.959 30 10 IJEE Cc1c(C#N)c(NC(=O)COc2ccc(Br)cc2F)n(-c2ccccc2)c1C 1125028311 AFZZLGUYFDZUMM-UHFFFAOYSA-N 442.288 4.885 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 1125648721 AXTDFYFGZYYTRG-FQEVSTJZSA-N 425.532 4.836 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1 1125842684 UHABPCIJPSBYAM-VWLOTQADSA-N 438.527 4.860 30 10 IJEE C=CCC[C@@H](C(=O)Oc1cc(Cl)cnc1I)c1ccccc1 1131729138 ZSDPSPSKMZAHSO-CQSZACIVSA-N 427.669 4.995 30 10 IJEE Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2ccc(Br)cc2C#N)c1C 1136406126 IATQAGIOEUFURG-UHFFFAOYSA-N 437.341 4.704 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 1136957057 KHDLRBBIDWAFML-HKUYNNGSSA-N 435.996 4.675 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 1156299574 CADDVKMPAFNZKR-HXUWFJFHSA-N 448.592 4.814 30 10 IJEE Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(Sc4ccccc4C#N)cc3)C2=O)cc1 1156528107 CCDMHJUPLQVSIM-QHCPKHFHSA-N 441.556 4.549 30 10 IJEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1)C(C)C 1178535636 XGBNJXVBWDCKPH-UHFFFAOYSA-N 426.582 4.513 30 10 IJEE C=CCCSCCNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 1192254512 HRAIQOLMIKMOGB-UHFFFAOYSA-N 426.401 4.704 30 10 IJEE C=CCC[C@H](CO)NC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1198640386 VCMWDYQCHWXHAM-SNVBAGLBSA-N 433.386 4.586 30 10 IJEE CC(C)Cc1ccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)N(C)C)cc1 1199740600 FYUBNQYSFVCOQJ-FQEVSTJZSA-N 430.499 4.783 30 10 IJEE CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1205097187 ICCAILRYTNFZJF-UHFFFAOYSA-N 443.956 4.715 30 10 IJEE CC(C)O[C@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1(C)C 1215091278 ALNVRGDFVUKTJT-VXKWHMMOSA-N 425.504 4.990 30 10 IJEE C#Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(Cl)c1 1220234690 IMYNHQRJBMKLJM-CRAIPNDOSA-N 441.881 4.509 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc(OC)c1OC 1221553952 YPVJHCZTKJKQJU-LJQANCHMSA-N 430.495 4.800 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ccc(Br)cc1 1252459535 SDRZDCDBDKLHGQ-HNNXBMFYSA-N 428.113 4.635 30 10 IJEE Cc1c(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnn1-c1ccccc1 1264095852 GQIJYGNRIVKATP-INIZCTEOSA-N 433.581 4.841 30 10 IJEE C=CCc1cc(C(=O)NCCCc2ccc(Br)cc2OC)cc(OC)c1OC 1266552891 SFWLCVZGTZXPSB-UHFFFAOYSA-N 448.357 4.566 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1275698755 JQAATWCJPLWPNP-GOTSBHOMSA-N 436.621 4.803 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1ccc(Cl)s1 1286301488 LRINZFSDXOINPN-KRWDZBQOSA-N 428.989 4.889 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cscc1C(F)(F)F 1286406172 QYNQFRPKTWEIQD-UHFFFAOYSA-N 434.874 4.800 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N1CCC[C@@H](C)C1 1286440502 AYYZBIRYJNTXFX-SJORKVTESA-N 434.415 4.832 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1cccnc1)C(C)C 1286464091 ZWFVYXBUGBEIBE-JOCHJYFZSA-N 437.975 4.519 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)CC[C@H]1C 1286510158 KKAVGUKRRBVTNY-QZTJIDSGSA-N 430.643 4.570 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](C)C1 1286631734 VNTLBXAQOOXQJM-CALCHBBNSA-N 439.387 4.618 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(COc2ccccc2)CC1 1286632318 IXSBBDNKJPLGCJ-UHFFFAOYSA-N 444.004 4.682 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCOc2cccc(C(F)(F)F)n2)CC1 1286643899 AANUXXMUNCYAQE-UHFFFAOYSA-N 447.436 4.733 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286667185 HQNGFBKUQRYGME-DHIUTWEWSA-N 432.616 4.599 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cccc(C(F)(F)F)n1 1286723029 YCPFBFYSJOROJW-UHFFFAOYSA-N 440.429 4.684 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1C[C@@H](C)O[C@H](C)C1 1286741049 BCHWGFITKGEION-RTBURBONSA-N 430.556 4.541 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)c1ccc(F)cc1 1286756596 ZZKCPVJEVWLPLK-IBGZPJMESA-N 427.911 4.699 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@]3(CCSC3)C2)cc1 1286795982 GPVSIENTDAERPR-XMMPIXPASA-N 426.630 4.813 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)COC)C1 1286802805 WIIVRYYAVOCDPH-IEBWSBKVSA-N 444.645 4.585 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cc1 1289617190 FVJVVGFSRFJFSA-UHFFFAOYSA-N 433.305 4.864 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC(C)(C)C2(C)C)ccc1Cl 1294236585 ULQLFEJYATZUQR-UHFFFAOYSA-N 447.000 4.982 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H]1CSC 1300742851 CGCRXHDAHMOUOI-FUHWJXTLSA-N 446.711 4.830 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(O)(CC)CC 1300789061 WPCOQAFCPZDRTL-AREMUKBSSA-N 445.611 4.896 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]1C 1300877540 WIKMGNLSBIRAFM-LEDOBFOHSA-N 440.588 4.712 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 1301016955 DFCJUWGMYUAJSN-HOTGVXAUSA-N 425.360 4.666 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC[C@H](C)C2)CC1 1301087346 CZZXSMYSLKRISX-NRFANRHFSA-N 425.596 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1301140790 CIODBBCHKUPCJR-NRFANRHFSA-N 437.632 4.989 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1301148304 NNXFUHQJWLAFSE-GOTSBHOMSA-N 437.632 4.833 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2cncn2)C1 1301173958 MGFDGDMJPONUMW-VXKWHMMOSA-N 449.603 4.824 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1301176819 LYQCZNAXKOYKLN-UHFFFAOYSA-N 435.616 4.845 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(-c2ccsc2)nc1 1301308553 HBUSBJHGSJZQME-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1301618359 PYBHDJODXNEYBM-IBGZPJMESA-N 443.636 4.784 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1306268768 HAGZSYZYTLBXNB-XJDRPFMISA-N 433.556 4.559 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1OC 1308364243 STVTZIFPRKFATO-LJQANCHMSA-N 448.485 4.560 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1)c1ccccc1 1309324585 VBGKEDUUDAWLRB-INIZCTEOSA-N 432.261 4.511 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1312855067 LHYKEARLSKMHBX-FCHUYYIVSA-N 431.502 4.805 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1)c1ccc(F)cc1 1312935065 WELFQACPVQTTHU-RTBURBONSA-N 433.346 4.839 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCOC2)C1 1321324692 HHUOKELSVAEENO-HZPDHXFCSA-N 444.988 4.631 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cc(C#N)c(SC)nc2O)sc(C)c1C[C@H](C)CC 1347970388 ACLXXLYQXQPQEJ-LLVKDONJSA-N 447.582 4.768 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Br)c(C)cc2OC)cc1 1351527994 GXWWSKOHUSILSO-UHFFFAOYSA-N 443.341 4.833 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1OC 1357768705 JYNWGOFTMAASRX-OOYWPUHTSA-N 447.362 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1358873733 NMEDTGPVEGENCF-UFYCRDLUSA-N 441.595 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1ccc(C)cc1OCCCOC 1359069260 GJZBGXFHAIEJSB-AREMUKBSSA-N 436.600 4.700 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC=C(C)C1 1359105499 PZVKOSKKGVZECS-WMZHIEFXSA-N 440.613 4.717 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(OCCC)c(OC)c1 1359125778 SFGBCSFMPMNYIP-IBGZPJMESA-N 444.486 4.839 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1359131876 HWLUSYMXAZIPPP-OAQYLSRUSA-N 432.515 4.560 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359189710 SNEXRNRPNGWZJN-GOSISDBHSA-N 433.641 4.963 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1359195369 LHQQPPCWDNDDHQ-WOJBJXKFSA-N 437.613 4.797 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)Nc1ccccc1CC 1359210738 FWBVYTGSNZFORG-UHFFFAOYSA-N 438.963 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)Sc1ccccc1 1359232741 CUYIYWKOHFZVFE-CQSZACIVSA-N 432.391 4.839 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCN1CCC(C)CC1 1359254035 BYUXZLLQUQEPRC-UHFFFAOYSA-N 425.621 4.509 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1 1359262272 NNKNNWIOPKKHNA-SFHVURJKSA-N 432.597 4.554 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCCC1(C)C 1359268855 FSCWINXCJKEMJS-JOCHJYFZSA-N 445.405 4.827 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCc1cnn(-c2ccccc2)c1 1359268914 HSSSQVZUMLQHLF-UHFFFAOYSA-N 445.958 4.600 30 10 IJEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCC1(F)F 1359282456 BGMUKDNAGWMRDH-FQEVSTJZSA-N 443.542 4.745 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1359282632 KGKIZNOMJYMNTC-AQYVVDRMSA-N 437.975 4.675 30 10 IJEE C#CCN(C(=O)c1cc(F)cc2ccoc12)[C@H]1CCOc2ccc(Br)cc21 1360557273 SLEXCJWLZXMXPC-SFHVURJKSA-N 428.257 4.934 30 10 IJEE C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCN(c2ccc(F)cc2)CC1 1443766898 FHEZCESMGWYWIM-LJQANCHMSA-N 444.510 4.639 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCC(CCCC)CC3)[nH]n2)cc1 1452618272 CUOYCLAAWRYZOY-UHFFFAOYSA-N 444.601 4.590 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2cc(F)c(F)cc2C(N)=O)c1 1460156726 AVWVBGRDEYOMKN-UHFFFAOYSA-N 427.794 4.633 30 10 IJEE C#CCN(CC(=O)NCc1ccc(COc2ccccc2)cc1)[C@H]1CCCc2ccccc21 1460835341 LKDCNJWKDRUWHO-NDEPHWFRSA-N 438.571 4.895 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1465168907 CSPCHWXBLABQAS-UHFFFAOYSA-N 441.572 4.875 30 10 IJEE C=CCC[C@@H](CO)NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 1465969954 FPPPAIDIJDKRAT-IBGZPJMESA-N 441.597 4.798 30 10 IJEE CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Br)c1 1466496846 FGXMVMLARJXPIH-HXUWFJFHSA-N 441.373 4.839 30 10 IJEE C#CCN(C(=O)Nc1cccc2oc(C)nc12)[C@@H]1CCOc2ccc(Br)cc21 1466547775 ARVUWPDUXLAFOC-QGZVFWFLSA-N 440.297 4.890 30 10 IJEE C#CCN(C(=O)NCCc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCCc2ccccc21 1467729736 SJMDSPDEEHRSOH-AREMUKBSSA-N 426.564 4.754 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 1470100517 ZQLJVDBZKRDKSY-MJGOQNOKSA-N 448.405 4.559 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCCCC1(F)F)[C@@H]1CCOc2ccc(Br)cc21 1470325862 MJMJAYMYJHOFSM-WMLDXEAASA-N 441.316 4.743 30 10 IJEE C#CCN(C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)[C@@H]1CCCc2ccccc21 1470869502 IFRNOKQMCUURRM-AZGAKELHSA-N 432.564 4.605 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 1470875712 MVWGXJCQOLWXRD-SFHVURJKSA-N 437.943 4.869 30 10 IJEE C#CCN(c1ncnc2sc(CC)cc12)[C@H]1CCOc2ccc(Br)cc21 1472696237 GKQYKIVSYWQBQK-KRWDZBQOSA-N 428.355 4.980 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3c(F)cccc3F)C2=O)nnc1-c1ccc(Cl)cc1 1472921253 DHZSWPVQIRNZKF-QGZVFWFLSA-N 446.910 4.960 30 10 IJEE CCCCc1ccc([C@@H](NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c2cccs2)cc1 1477458832 FUVGSOLKBJUKIO-OAQYLSRUSA-N 439.581 4.668 30 10 IJEE N#Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 1505316810 HCBJIYPTZAQYIO-UYAOXDASSA-N 447.505 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCc2cccnc21 1507545182 BTFUDLKYSFLZJI-FPOVZHCZSA-N 431.609 4.852 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCc1cccc(C)n1 1507604878 ODHMXKFRQMXWQH-UHFFFAOYSA-N 442.592 4.783 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CCC 1507794460 FNDPHSBBMSHNFU-VKJFTORMSA-N 436.398 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(CC#N)CC1 1507805307 JGBOPNZUGBCOFD-NOZRDPDXSA-N 433.600 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1507910141 HPHDAZFXNVGRNK-QZTJIDSGSA-N 442.633 4.638 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(C)C)CC1 1507912198 PEEUEGWUWXFTAB-UHFFFAOYSA-N 435.572 4.598 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCc2sccc2C1 1507974469 XQJIPZRTTVSUBB-UHFFFAOYSA-N 448.423 4.994 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(SC)CCN(C)CC1)C1CC1 1507990280 JINFCPSFKDUWPX-UHFFFAOYSA-N 432.037 4.581 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC(=C)Cl 1507998175 MJSUGKYGKKIBOI-UHFFFAOYSA-N 430.339 4.947 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1513636800 CYUOXZYWXQJHBT-PKOBYXMFSA-N 443.979 4.607 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC(C)(C)Cc2ccc(Cl)cc2)cc1 1515902045 LQPSNVOTRKRRFL-UHFFFAOYSA-N 434.989 4.744 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(F)c(F)c1 1517408654 CWQXCZFMLLCCIY-JOCHJYFZSA-N 448.535 4.577 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 1521832250 JPDHKJHAJIMRLT-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)Oc1ccccc1)c1ccc2c(c1)OCO2 1523443797 RPYUHTJYMQGKBC-LJQANCHMSA-N 431.488 4.981 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccc(F)c(F)c1 1523652443 SAFROJRKKMXWSX-OAQYLSRUSA-N 429.417 4.965 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 1525037795 DEKUBFVXXQEESX-RBDMOPTHSA-N 447.337 4.921 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)CC2)c(F)c1 1526321735 FAFWABSQZFBLPV-QFIPXVFZSA-N 429.898 4.974 30 10 IJEE C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Br)c(C#N)n1 1526374002 ABDRQBRHUXNXBT-OAHLLOKOSA-N 436.309 4.713 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccn2)ccc1Cl 1527905475 XXGPVCGPNKOSHE-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C#CCOc1cccc(OC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)c1 1528706761 FUFZFJICIKPNKY-UHFFFAOYSA-N 431.872 4.927 30 10 IJEE CC(=O)N[C@H](CC1CCC1)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1530180111 CNOYSPBLSUHLNG-CQSZACIVSA-N 428.348 4.609 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc(Cl)c1Cl 1530295038 HNAKCMOKROLHMM-YPMHNXCESA-N 436.726 4.749 30 10 IJEE O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cccc(OCC(F)F)n1 1530926737 FHAIKCRQPYGRBC-UHFFFAOYSA-N 426.288 4.641 30 10 IJEE C#CCOc1cccc(NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C(C)C)nc32)c1 1531099162 XDJHFEFNGAZKCT-UHFFFAOYSA-N 430.430 4.533 30 10 IJEE Cc1cc(-c2nc(C)c(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)s2)ccc1F 1533888933 AEJDSDDBMPBRMC-UHFFFAOYSA-N 436.556 4.642 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 1534734568 DIYNERDXZURWRX-UHFFFAOYSA-N 441.318 4.919 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1538889968 HNPDZJKHBRHCIY-QYZOEREBSA-N 426.479 4.875 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nc(C2CC2)cs1 1539251119 YHZGBTKUGMLJRS-UHFFFAOYSA-N 442.375 4.707 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]32)c1 1539458080 IPCLMUCNQYECMI-WQTXXOFMSA-N 444.984 4.640 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1C(F)(F)F 1539647710 XWRIAMPXPSKMKG-WIYYLYMNSA-N 434.506 4.867 30 10 IJEE C=C(C)COCCn1c(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C 1539759806 LCGJANZBGFWWFI-KRWDZBQOSA-N 447.649 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@H](CC)C1 1539928531 CSUNHWWOAHQPKL-HXUWFJFHSA-N 430.618 4.800 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCc1c(C)noc1C)C1CC1 1540098773 HXCIOTZBRCYLKV-UHFFFAOYSA-N 442.361 4.710 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCN(C(C)(C)C)CC1 1540854270 VMTZYTKTESOOKT-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(C)(C)C)C1 1540881431 IYPWVRAFNPHHFN-OAQYLSRUSA-N 431.584 4.749 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1)c1cccnc1 1541303178 BVKVHPIDNYXNFV-DEOSSOPVSA-N 439.567 4.782 30 10 IJEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1541894914 GVWKPLJDOOMJCF-MOPGFXCFSA-N 429.515 4.505 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)CC1 1544273325 IDLTWZJBOOHHEC-NHCUHLMSSA-N 434.632 4.810 30 10 IJEE C=CCCONC(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1557719787 TYPFIQSXFQVLRB-JOCHJYFZSA-N 440.927 4.660 30 10 IJEE C#CCOCCSc1nnc(-c2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 1559310226 VRHWFXFBDHPHKP-UHFFFAOYSA-N 433.455 4.704 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2Br)nnc1-c1ccoc1C 1559333389 PKWRBUGQGRAABP-UHFFFAOYSA-N 448.342 4.874 30 10 IJEE Cn1cc(CN[C@@H]2CCc3c2ccc(F)c3Br)c(-c2ccc(C#N)cc2)n1 1560476908 BTHRKPWYBAMKGT-LJQANCHMSA-N 425.305 4.637 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1 1562370948 NWZRLWRXUZXRFL-UHFFFAOYSA-N 436.515 4.932 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCCc3ccc(NC(=O)OC(C)(C)C)cc3)cc21 1563316204 WASWJLUZASROCS-UHFFFAOYSA-N 435.528 4.934 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1cc(F)c(Br)cc1F 1565170301 UPOKDKQZBZTGOF-UHFFFAOYSA-N 425.273 4.947 30 10 IJEE C#C[C@H](NC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1F 1568897142 FUUOHKFBCYXUNS-FQEVSTJZSA-N 430.907 4.651 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1(c2ccc(OC)cc2)CCOCC1 1583506015 MSLQQJOKMGKEQH-UHFFFAOYSA-N 446.341 4.709 30 10 IJEE C[C@@H](NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1584716186 FSVGQFPJXKSQJN-LJQANCHMSA-N 436.515 4.581 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CC)N1CCCC1 1587567230 DGSNINFJFAWLIK-REWPJTCUSA-N 444.627 4.685 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)c1ccccn1 1587600339 XPZDOFLVXXNIHT-IBGZPJMESA-N 447.583 4.572 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1588984677 IWPQJRIDWDJOOR-AQNXPRMDSA-N 442.629 4.808 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H]1CCCCO1 1589316412 BKGRTVHBXLFQEC-INIZCTEOSA-N 431.334 4.605 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1593689906 FGCNZAHYNXUGJW-HMXCVIKNSA-N 443.661 4.718 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1594064683 RRXIADHDLBMEJM-HXUWFJFHSA-N 440.954 4.592 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N2CCC(C)CC2)CC1 1594128413 QHTYDIWQTHIJMJ-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1594573237 PSKPBUDLINZTBZ-DCDYHQBJSA-N 438.616 4.949 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1594693244 VARWZHVVZIOWEW-OALUTQOASA-N 445.405 4.845 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1594698471 RMZQLNGTAMGCPJ-NRFANRHFSA-N 439.604 4.967 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](SC)C(C)(C)C)C1CC1 1595038348 UXPXWEGJKVZFLX-HXUWFJFHSA-N 430.618 4.895 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCO[C@H](C)C1 1595845680 YSFFFIPETIKJDJ-SJORKVTESA-N 437.009 4.606 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1595901604 ZQZYHHDRTMBVMZ-NRFANRHFSA-N 444.645 4.869 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)c1 1596615475 WTGJAZBWRHKJTJ-FYYLOGMGSA-N 447.000 4.886 30 10 IJEE COc1ccccc1-c1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)no1 1598303184 AIDBCCQBIPSXPM-AWEZNQCLSA-N 429.398 4.923 30 10 IJEE C=CCN(C)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(NCCCC)nc3[C@H](C)[C@H]2[C@H]1O 1616132386 DNQGGGGKIZJULK-DALBRUTKSA-N 433.662 4.689 30 10 IJEE CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1617087042 HQKBJUYVIYBWNE-JOCHJYFZSA-N 434.540 4.677 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(CC=C)Cc1cc(Br)ccc1F 1623168864 BAWGCPABGWBSAW-UHFFFAOYSA-N 435.268 4.959 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1 1624660792 QFVPIGSBJLDHNS-UHFFFAOYSA-N 438.936 4.612 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)nc2ccc(Br)cc12)C(C)C 1627127252 DNFGYYDDTSPCDK-NRFANRHFSA-N 430.390 4.734 30 10 IJEE CC(C)c1ccc([C@H](CNC(=O)c2cc(C#N)ccc2F)NC(=O)OC(C)(C)C)cc1 1627365553 DETPFUWKEVBBNE-NRFANRHFSA-N 425.504 4.817 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CSC(c3ccccc3O)=N2)cc1 1627568012 BUPSVELBFOFZTP-IBGZPJMESA-N 445.500 4.565 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4ccc(F)c(Br)c4C3)cc21 1627746168 AWEGBRKJLZRSEJ-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE CC(C)(C)c1ccc(SCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 1627769257 BPRNDVFHUBKANQ-UHFFFAOYSA-N 444.604 4.845 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2(c3ccc(C)cc3)CCC2)nc1C 1632842743 WDKKASFEHVYOOO-UHFFFAOYSA-N 425.583 4.554 30 10 IJEE C#CCN(C(=O)N[C@H]1CCCc2ccc(Cl)cc21)C1CCN(C(=O)OC(C)(C)C)CC1 1637625690 XZUSMIWYKAXTAH-NRFANRHFSA-N 445.991 4.762 30 10 IJEE C=CCn1c(S[C@H]2CCc3cc(Br)ccc3NC2=O)nnc1-c1ccco1 1640814124 UPXVQUITIPLRGR-INIZCTEOSA-N 445.342 4.532 30 10 IJEE CC#CCN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1641702068 BBADSTDMTMEYJL-UHFFFAOYSA-N 428.923 4.895 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1 1643413028 GRZXTDXXMWMJQN-LJQANCHMSA-N 448.592 4.933 30 10 IJEE Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)cc1NC(=O)Nc1ccccc1 1649146131 BBFKTCXOSWUOLL-UHFFFAOYSA-N 437.463 4.548 30 10 IJEE C=C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)C(=O)OC 1652447253 IGOKBBPZGFHYMW-JOCHJYFZSA-N 444.512 4.998 30 10 IJEE C=CCn1c(S[C@H](Cc2ccccc2)C(=O)OCC)nc2sc(C)c(C)c2c1=O 1656058618 ZYCQLIJOKLCRFH-QGZVFWFLSA-N 428.579 4.527 30 10 IJEE C=CCOc1ccc(Br)cc1NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C 1657514283 XFRMUDBIZKDBSE-CYBMUJFWSA-N 435.309 4.974 30 10 IJEE C=C(C)COCCNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1658492322 HZZPEZVIMFOFEQ-UHFFFAOYSA-N 433.386 4.851 30 10 IJEE C=CCc1cc(CN[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc(OC)c1OC 1661353778 ILGYBTNLKWAGJZ-QHAWAJNXSA-N 430.589 4.558 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C 1666357050 KXGSSMJUQNHHDN-JOCHJYFZSA-N 439.968 4.536 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 1666930275 UQNIWTUHPHPJDW-PWHSHALESA-N 425.548 4.946 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1)c1ccccc1 1670776044 XCECJJNCRNMIOH-PXDATVDWSA-N 449.595 4.578 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1)[C@@H]1CCCO1 1671264772 NEBDSVMGJLJWOE-MJGOQNOKSA-N 433.277 4.683 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1671424788 FQIZHIMUCPGHCR-NOZRDPDXSA-N 444.579 4.878 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(Cc4ccc(C)nc4)C[C@H]3[C@H](C)CC)cc21 1673311386 GYNLPSAJXJGNQF-CLOONOSVSA-N 446.599 4.690 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1)c1ccc(Cl)cc1F 1674035532 BMHLHQBPJWCKDG-UGKGYDQZSA-N 430.907 4.553 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1)C1CCOCC1 1674879433 SVXCSBQQRRDQRU-HXUWFJFHSA-N 443.341 4.578 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(Cc3ccccc3)C[C@H](O)c3ccccc3)cc2n1 1675018060 SOHMGCJTONHPLB-VWLOTQADSA-N 426.520 4.990 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c(Cl)c1 1675169505 QAARBMKIFMZZCA-OAQYLSRUSA-N 439.943 4.977 30 10 IJEE C#C[C@@H](NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1ccc(Cl)cc1F 1682366359 DKPIMYUWPHAMBH-OAQYLSRUSA-N 445.325 4.915 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1)c1ccc(Cl)cc1F 1683517161 ROZTWPGGAADOKK-LEWJYISDSA-N 436.861 4.587 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(CCOC)CCCCC1 1689863417 TWWIUHHZRJLQAF-JOCHJYFZSA-N 438.616 4.919 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1CCCCC1 1689878314 DUWJKETVSNZZDA-UHFFFAOYSA-N 426.561 4.543 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1689879854 JIVCGBYMCFVDTF-JOCHJYFZSA-N 445.405 4.907 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1689897846 JZQSRRMNJZNOSV-QHCPKHFHSA-N 448.659 4.548 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1689900299 DGKDBWRFSHWTOC-UHFFFAOYSA-N 448.636 4.556 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1689935679 PATCPQZTGVUKCS-LJQANCHMSA-N 445.007 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C(C)(C)C)no1 1690212568 OTLHTQWWPHDZHO-AREMUKBSSA-N 447.583 4.800 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1cccs1 1690250461 HXJBSEQEYDXIBM-WJPUGNRLSA-N 443.642 4.874 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1690280319 DUWIZPZMMHRGQZ-UYAOXDASSA-N 425.577 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)C1 1690421233 ZLCBQJAFLREFAY-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1690455228 FQNXWMOXIYHJMF-SFHVURJKSA-N 425.508 4.785 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690456220 ZUBNRPCBIFTVDB-IBGZPJMESA-N 447.612 4.513 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21)C(C)C 1690581508 TWUJKBVJMURLJO-SGKWCMOWSA-N 436.648 4.987 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1693622864 HGVLNCDCKCVIHU-CQLNOVPUSA-N 441.645 4.668 30 10 IJEE C[C@@H]1CCCCN1CCCn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1 1693649106 HNXFKCMCTFMHPJ-LJQANCHMSA-N 441.023 4.993 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](COC)C1)SC 1694262823 GUZTWXSAGVWMRH-FQEVSTJZSA-N 441.645 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)c1nccs1 1705483832 CXBITEIZHRKHJF-STQMWFEESA-N 448.365 4.565 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CCC1 1705704551 WIJDKPKDQSWECW-PXNSSMCTSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2CCc2ccc(OC)c(Br)c2)CC1 1705783973 CCQZWEXZDHEIOS-UHFFFAOYSA-N 445.405 4.647 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1705797578 YPIZXZRETNLDJK-FGZHOGPDSA-N 446.599 4.879 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1)c1ccccc1 1705797962 HPLVITLZDPEDRN-AGILITTLSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705800582 BZOXSHKJMZHZOJ-MSOLQXFVSA-N 432.012 4.882 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]1CC 1705827912 VDXWVBCJOYYPTJ-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC=C(Br)C2)cc1 1705909554 AJVHAASRYROJCV-INIZCTEOSA-N 431.378 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCC(C)C)cc2)C1 1705922583 OYIPFSKOLSQCOA-HSZRJFAPSA-N 447.583 4.513 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(CC)CC1CC1 1705942142 IRYKOGLZQFGSDZ-UHFFFAOYSA-N 427.437 4.925 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CC2)C1(C)C 1710597855 GEXWETSJUJLQJC-LEWJYISDSA-N 437.588 4.559 30 10 IJEE COCc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)SC)o1 1712209359 CCXWXJWNWIHWKT-OXJNMPFZSA-N 437.569 4.649 30 10 IJEE CS[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1712749000 HVGNNQIGAKOPNE-OAQYLSRUSA-N 425.646 4.971 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCC 1722303552 PMGOQNSABACIAZ-MJGOQNOKSA-N 432.037 4.556 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cscn1 1722455172 PMYLVMVCGJSUGM-OAHLLOKOSA-N 443.667 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1722469527 GWZMQIZVACHMLI-BKMJKUGQSA-N 431.584 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](OCC)C(C)C 1722473182 RIXPZFGOFSYQFE-XUZZJYLKSA-N 429.008 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC[C@H](C)N1CCCCC1 1722476472 XEVHQGPBUSYNOD-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1722483786 CSYLAHQWJBWSMJ-ZBFHGGJFSA-N 439.423 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1722496254 WIROZKLAGATQAJ-OSZJIOELSA-N 426.630 4.819 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1 1722501934 HEYKGOHYAKYQCY-UXUZRQAQSA-N 449.599 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1N(C)CCCC1(C)C 1722507004 WVNQAPAEKHPVCJ-GOSISDBHSA-N 449.441 4.559 30 10 IJEE C=C(Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1722542166 YWECOVAXYULVOF-AREMUKBSSA-N 436.600 4.826 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCCCCC2)C1 1722555674 DZUOGXJVRULMFN-UHFFFAOYSA-N 446.979 4.548 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccccc1OC 1722582932 NRRNEEGZHFKUJH-SFHVURJKSA-N 429.977 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1CSC 1722588905 AGKAUWRVFDVZMU-LJQANCHMSA-N 425.602 4.663 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@@](C)(CC)O1 1722652563 IPAIFBKRZCCLIJ-ATIYNZHBSA-N 449.599 4.833 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1722656659 GTSUEYIKLQJZSG-XMMPIXPASA-N 434.632 4.661 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1cccc(C(C)(C)O)c1 1722662330 IROMBFDINKFTAN-OAQYLSRUSA-N 438.597 4.659 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C)CC1 1740723320 QNCABKAUHIUNRC-SFHVURJKSA-N 430.643 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1740750271 ANXWSEYAYYFGKJ-REWPJTCUSA-N 440.563 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1740770612 YTKCZWGXBDMABD-UHFFFAOYSA-N 448.962 4.538 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)C[C@@H]1CCCO1 1740789945 SWSGDFGNAVRLSP-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2CCC(OC)CC2)CC1 1740829975 QNSQHHMCQAYRPZ-UHFFFAOYSA-N 442.629 4.941 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCCc2sccc2C1 1740887733 CEFKHPVYDOPVIU-UHFFFAOYSA-N 442.560 4.603 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCC1(C)C 1740915407 FQDDUWIZXFJLHQ-OAQYLSRUSA-N 434.588 4.706 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C)C(C)C 1740927064 QMYLNEKQXSPGCM-UGKGYDQZSA-N 444.023 4.522 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1746077178 DEWAUTQZCLOYNN-BVAGGSTKSA-N 443.599 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCOC1CCCCC1 1748641995 LTOFQZSUQXOZJM-OALUTQOASA-N 428.552 4.755 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1748727752 ULEGELVTEPITEZ-HSZRJFAPSA-N 442.654 4.716 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCc1nc(C(C)(C)C)cs1 1748834919 XYHFITPVTILECN-UHFFFAOYSA-N 438.000 4.668 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@@](C)(CC)O1 1748917604 FVYWBJODDDKMSM-HFZDXXHNSA-N 448.567 4.924 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC(C)(C)N1CCC[C@H](C)C1 1748944706 BUWOFAHRQVIVGP-NRFANRHFSA-N 439.623 4.766 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(SC)CC1 1748951682 YKLAKWCTFAGECW-UHFFFAOYSA-N 447.029 4.795 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1749096171 HJXDALFLULCGIU-KBPBESRZSA-N 432.391 4.665 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1749343448 KGYNZWPCQBWJRL-JOCHJYFZSA-N 439.623 4.778 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)OCC)CC1 1749347059 HEVGGPATGVYEPL-IBGZPJMESA-N 447.624 4.568 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749411844 HBVJWPQBBJSPMK-PKTZIBPZSA-N 445.615 4.681 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CSCCS1 1749501711 HJMWBEIWOPHQJG-INIZCTEOSA-N 427.064 4.695 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1749622324 SCIMDAWTRKQMTF-INIZCTEOSA-N 445.995 4.914 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCC(C)CC2)CC1 1749629579 CICIRVBHUMOTLB-UHFFFAOYSA-N 437.588 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN(C)C1CCCCC1 1760097848 KZZZZBYREUMSEM-UXHICEINSA-N 441.595 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1760106371 BRKCGUMOEREBHA-ACRUOGEOSA-N 444.627 4.708 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760159869 RFHNUVVPPQLCIN-LJQANCHMSA-N 445.032 4.890 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(F)(F)C1 1760277444 KUVNIBCDWDZMRK-UHFFFAOYSA-N 434.556 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)C[C@@H]1CC=CCC1 1760324870 NQVFFKYNJXYKTG-REHUZNOOSA-N 440.563 4.770 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1760386984 CGCDIGGRYJTUSP-LJQANCHMSA-N 447.624 4.760 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](OC)C(C)(C)C)CC1 1760405148 MVUVRJPBRBIHJY-JOCHJYFZSA-N 426.605 4.937 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1760412491 LUJIYIPNOFKSEK-QZTJIDSGSA-N 430.980 4.695 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1760425878 XZUZEJVYIANVKS-IBGZPJMESA-N 431.378 4.852 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C(=O)N(C)C)c1 1760457446 SEIWWQARXUUOKQ-QGZVFWFLSA-N 449.624 4.504 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1Cc1c(F)cccc1OC(F)F)C1CC1 1760474740 FXVZCQFTZFNBRN-UHFFFAOYSA-N 434.487 4.874 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CCc1ccc(Cl)s1 1760499806 KIUMOLMUPOIRJR-UHFFFAOYSA-N 440.960 4.521 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1760504807 CEJZHJJJAQGIIP-XGAFWQRZSA-N 441.576 4.530 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760532198 NWTNIKABBOQSRF-JOCHJYFZSA-N 434.588 4.669 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)CCC1CCOCC1 1760561164 SDRMKCCUHCZEEI-UHFFFAOYSA-N 426.586 4.863 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 1760562513 MDVHGFAJZLQQNJ-LJQANCHMSA-N 441.626 4.979 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@@H](C)C1 1771100076 FYOVJEZRWFWYRE-XXBNENTESA-N 444.583 4.609 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1772555019 RVDKZJDVGCYGSJ-AEFFLSMTSA-N 432.515 4.764 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12 1858241947 LUNNJDRZBZCLEA-UHFFFAOYSA-N 437.503 4.509 30 10 IJEE CCOc1ccc(CCNC(=S)N/N=C/c2ccccc2C(F)(F)F)cc1OCC 1860498382 SQKKYUPXSDQMSM-VULFUBBASA-N 439.503 4.544 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4ccccc4F)CC3)cc2)c1 1860690890 WRUAULATQVGGJA-UHFFFAOYSA-N 428.463 4.936 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(OCC(C)C)c1 1861761893 SGCAYUMZHDNSGU-VWNXMTODSA-N 446.632 4.554 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(O)cc2)cc1C 1862400557 HRIOAQQURLZPNQ-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1862445863 GDZWHWRMHYXNSG-LJQANCHMSA-N 442.302 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1C(=O)O)c1cccc(Cl)c1 1862447959 ZNXUIHIHNDHEGN-LJQANCHMSA-N 425.868 4.559 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862449286 HYLDPEHYAYTWNA-FQEVSTJZSA-N 441.911 4.751 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480899 QYLRHRHHSQSNEA-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OCC)cc1 1862525677 HSXYFGSWAILNAA-LJQANCHMSA-N 442.309 4.612 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1F 1862597287 YFFOAQSXOQWOOM-YIILKADPSA-N 427.447 4.827 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862642437 DYMVZXFRKZPUGT-SFHVURJKSA-N 435.373 4.617 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862672367 BLUBXNBWWLWCHX-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCCCN1CCCC1 1862673015 AMWSUSMISOAKPQ-QHCPKHFHSA-N 436.527 4.588 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1862678088 NWGQPSQTIRGJSD-HSZRJFAPSA-N 432.495 4.509 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1F 1862724261 KKVLIIQFXKWAIU-XMMPIXPASA-N 444.506 4.633 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862727251 ZPCSHIFYHYCSPL-QHCPKHFHSA-N 439.467 4.816 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CC2)cc1 1862742933 JCZUSZSIVZFDLO-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCCCN(C)C)C1=O 1863777416 PAISKEQXMXMTOZ-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nn1-c1ccc(OC)cc1 1869938600 JCYJICMKUCZWKG-RTBURBONSA-N 443.592 4.579 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)nnn2Cc2ccc(C(C)C)cc2)cc1 1870108408 FPWTUJDIEJDCFD-UHFFFAOYSA-N 431.540 4.682 30 10 IJEE C=CCOc1cn(CCCOCC)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1870810286 VYOXOXOLHYCRTL-UHFFFAOYSA-N 439.600 4.688 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871252388 YMQUDYGFCBWYLJ-UHFFFAOYSA-N 441.535 4.833 30 10 IJEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871364782 SJLIFJKDADWBNJ-ODLFYWEKSA-N 436.261 4.988 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871383043 AXKNBERUFAQSJI-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)cc1 1871388766 COIOWEPATJWCFS-BKUYFWCQSA-N 429.428 4.541 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871640006 LTSZZNCRWTZWST-UHFFFAOYSA-N 442.611 4.855 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871777032 QJEUOTADTWEIBS-NFBKMPQASA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1cccs1 1872170757 FNLXZOJPUGFXFS-QGZVFWFLSA-N 436.599 4.521 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872231119 ORZUQDQHNCHORK-HXUWFJFHSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)C1CC1 1872362391 SIPWJMUMICJMSZ-SFHVURJKSA-N 432.508 4.573 30 10 IJEE Cc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)c(Br)c1 1872724253 AATLGDOPMCXIBK-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OC 1872760997 DCIKXZULPFJJJA-CYBMUJFWSA-N 443.868 4.879 30 10 IJEE CC(C)OCCCN1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N 1872796399 YJNWUKPPJXHYOE-UHFFFAOYSA-N 433.577 4.804 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1=O 1873012804 BUAYXNNZIXVLBY-KRWDZBQOSA-N 429.992 4.915 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccc(OC)c(OC)c2)CC1 1874286948 FVZXPIFJGRCCHI-LFVJCYFKSA-N 446.617 4.726 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)cc1 1874293255 UJIOZLHHHQQEDR-DHRITJCHSA-N 437.500 4.507 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CCc3ccccc3)n2/N=C/c2ccco2)c1 1874398370 CMAIAXHHCMJOCL-PCLIKHOPSA-N 445.548 4.578 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccnc2)cc1C 1874452434 VNPTZODYCCXYJO-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2OC)cc1 1874511543 DCDLVNKIBCFBTM-ZVHZXABRSA-N 437.569 4.586 30 10 IJEE COc1ccc(OCCCc2nnc(S)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874568492 BIOWKWCHBQSGJR-WSDLNYQXSA-N 437.352 4.776 30 10 IJEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC)c(OC)c2)o1 1874572059 UPGJMOLEOJXOKQ-FMIVXFBMSA-N 436.460 4.949 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OCC(C)C)c1 1874581002 RFKIBDBISPWSEK-VMPITWQZSA-N 432.900 4.831 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1875097592 SRQHHTOHQCHQCC-YRNVUSSQSA-N 428.444 4.984 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1sccc1S(C)(=O)=O 1912429734 GCTREDRNMXSNGI-AWEZNQCLSA-N 426.947 4.811 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1scc(Br)c1Br 1922051870 MQCBIGMJGISRCT-OAHLLOKOSA-N 446.160 4.649 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(O)C1CCC(NC(=O)OC(C)(C)C)CC1 1922076192 CQXZYKOTWGASRN-CBGCIVQGSA-N 446.632 4.572 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1944456777 FCRBQQYAFSPDLA-MDOVXXIYSA-N 447.498 4.715 30 10 IJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 1950339720 SSPPRPJYXVTQJQ-NLFFAJNJSA-N 427.589 4.739 30 10 IJEE N#Cc1ccc([C@@]2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1 1951689061 JYRAHELRZLCZIG-HHHXNRCGSA-N 438.483 4.535 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2037242646 IJFJCWRBOVXFTE-RZPFDVGOSA-N 446.632 4.574 30 10 IJEE Cc1ncnc(N(Cc2ccccc2)[C@H](C)c2cccs2)c1B1OC(C)(C)C(C)(C)O1 2052616112 LQJHNFAHYNDHDM-GOSISDBHSA-N 435.402 4.914 30 10 IJEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)CCCOCc1ccccc1 2066518044 HKJBWOFRQBPRPR-SFHVURJKSA-N 443.418 4.564 30 10 IJEE Fc1c(Cn2ncc(I)c2C(F)(F)F)cccc1C(F)(F)F 2079124861 MQVFWIAOZWVVDH-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1F 2080102331 RSKWNSNAYWNWFC-KRWDZBQOSA-N 441.288 4.876 30 10 IJEE N#Cc1c(C(F)F)nn2c(Cl)cc(-c3cc(F)ccc3I)nc12 2081185587 ZHNHCSPWPJKZPW-UHFFFAOYSA-N 448.573 4.603 30 10 IJEE COC[C@@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CCCCO1 2146066561 OZFNOQDWVAXLKS-FXAWDEMLSA-N 439.350 4.668 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N(CCC#N)CC2CCC2)c1 2181044839 DEVBERASILORCE-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE NC1(CC#Cc2sc(Br)c(Br)c2Br)CCC1 2212248548 ARXDYERRPMFMGH-UHFFFAOYSA-N 427.987 4.659 30 10 IJEE Cc1cnc(NCc2c(C)sc(C)c2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241078496 CZPQCOFZKLXDTE-UHFFFAOYSA-N 437.212 4.742 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2281454650 HBGYIXYIHHBEMB-HKUYNNGSSA-N 439.394 4.805 30 10 IJEE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282098813 YMYGAHZBFKTAQV-OAQYLSRUSA-N 449.400 4.504 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@H](O)C#CC1CCCCC1 2289781867 BCTHJWZAQRSWKS-WOJBJXKFSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(O)C#Cc2ccc(Br)cc2)C1 2296281726 NURWZVRRSYXOQC-SFGWALBWSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)C2(CCCC2)C1 2296286922 QCPZSGXTIFYPID-MOPGFXCFSA-N 434.374 4.589 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2296308424 IKHGPQCRTCYPLQ-ZCNNSNEGSA-N 435.406 4.862 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2cccc(F)c2)C1=C(O)c1ccco1 2296766387 HLDJICZWSGGTPA-SFHVURJKSA-N 438.411 4.794 30 10 IJEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)Nc1cccc(Cl)c1 2297650787 SNBDXNUWDLMPCK-RDTXWAMCSA-N 437.849 4.568 30 10 IJEE CN[C@H](C#CC1CC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315716044 ZSRHHYOFCQEWMK-NAKRPHOHSA-N 427.544 4.879 30 10 IJEE Cc1cccc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2319682146 GYCSPRRQSKVWHF-INIZCTEOSA-N 430.354 4.650 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C(C)(C)C)ccc1OCc1ccccc1F 2321908522 ABBVSXRLGWQGNH-UHFFFAOYSA-N 428.533 4.863 30 10 IJEE Cc1ccc(C)c(OCc2nnc(S)n2N=Cc2ccc(Br)cc2)c1C 2322161024 LXXLSYMRZFBZBC-UHFFFAOYSA-N 431.359 4.716 30 10 IJEE CCc1ccc(C=C2Oc3c(ccc4c3CN(C3CCC5(CC3)OCCO5)CO4)C2=O)cc1 2322214771 QZFWFYUVFUGVKJ-UHFFFAOYSA-N 447.531 4.703 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)c1OC 2322948616 LZBWDNBJCUCDMW-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccco2)c1 2323301545 HLNQKDZPCBBAIA-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325736106 UBLYIZPXYJIPRZ-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2N=Cc2cccs2)c(C(C)(C)C)c1 2325906006 CTJLEFJDEREPKJ-UHFFFAOYSA-N 444.626 4.881 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccccn1 2328280122 HGEHGPTXYNUMHY-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2[C@@H](C)c2ccccc2)c1 2330133449 IJXRNVFWZYDGEP-IBGZPJMESA-N 436.581 4.912 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccnc2)c1C 2330535925 DEIAUFPHLRBKAD-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1CCCO1 2330990228 ZSJLJXVJQHKLFZ-SFHVURJKSA-N 442.928 4.656 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@H]1CCCO1 2330994466 FAHWEHNFGMXNPO-GOSISDBHSA-N 442.928 4.656 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(F)(F)F)cc1 2331132520 PMJOEHOJJPPUJW-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1Cl 2331403868 NPRQBPBXRANIRA-UHFFFAOYSA-N 436.025 4.852 30 10 IJEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2331437788 CSLFMSWWRGPKPM-UHFFFAOYSA-N 436.847 4.949 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc(Cl)c1 2331460620 KYMPWXJCILPHAL-UHFFFAOYSA-N 434.009 4.553 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331539373 XGRFWNHDCQEGTO-UHFFFAOYSA-N 432.451 4.777 30 10 IJEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccccc1OC 2331592195 BHPZRGYIGMFDII-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1Cl 2331636330 GOGJJAGGODOVKC-UHFFFAOYSA-N 431.924 4.636 30 10 IJEE CC(C)(C)OC(=O)N1CC=C[C@]1(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339603965 IVWVTITWGHGHET-XMMPIXPASA-N 442.365 4.671 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 14092575 BGHMXJCMOVOCHS-UHFFFAOYSA-N 430.936 4.773 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2 14461775 UIZAOZGOVAMMNK-SGIRGMQISA-N 437.609 4.824 30 10 IJEE N#C[C@H](c1nc2ccccc2s1)c1cnn(Cc2ccccc2Cl)c(=O)c1Cl 27643876 FNEFJPRJQJHVSI-ZDUSSCGKSA-N 427.316 4.864 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1 40077076 OPBYGKRXHFXNDO-GOSISDBHSA-N 430.298 4.533 30 10 IJEE COc1ccc(C)cc1N/C(=N\C(=O)c1ccc(C(F)(F)F)cc1)NCc1ccccn1 46126502 JQQDCZWHLPDBTH-UHFFFAOYSA-N 442.441 4.816 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)nc2c1cnn2Cc1cccs1 62896909 LYHRBYCMZHJRGR-UHFFFAOYSA-N 447.520 4.586 30 10 IJEE Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(O)c1 64874273 LFZMKUAKBUJZQY-QHCPKHFHSA-N 442.519 4.808 30 10 IJEE CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N/c1cc(Cl)ccc1Cl 100261352 IZGWGEJMTILDKV-SAZKUCFMSA-N 426.300 4.723 30 10 IJEE COc1cccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)c1 100369485 SJQILNZTCFUNLR-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(CC)cc2)cc1 102519982 ZAIQTVAWLOBDIU-VFJWVMJUSA-N 432.476 4.570 30 10 IJEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccc(C)cc3)c(OC)c2)C2=C1CCCC2=O 169933042 LVUDYKSGIFNEMX-DEOSSOPVSA-N 436.577 4.841 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)cc2)s1 169964308 QGKBWCUNSVBYQX-SFHVURJKSA-N 442.443 4.527 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccs2)cc1 169988704 YGUDYFXXPXOUQB-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccs2)c(C)c1 169989756 KKNHWPUMFCKDBH-HXUWFJFHSA-N 445.500 4.724 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)o2)c1 170102778 YOOGQSXZGNOKHE-QHCPKHFHSA-N 449.478 4.947 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)c(OC)c1 170227114 VOSPVTABAWFLAJ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(CC)cc2)c1 170264781 KPOJWTBAAJQZDH-NRFANRHFSA-N 443.927 4.526 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CS 382702817 PTNRGGDKXOZXQC-MAUKXSAKSA-N 436.371 4.740 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@]1(C)CCCN1Cc1ccccc1 398057853 IWNKQFLPOJWCEB-HSZRJFAPSA-N 427.386 4.605 30 10 IJEE C=CCN(C(=O)CCCc1ccccc1Br)c1nc(C(=O)OCC)cs1 429054467 PZVQRNJMUFXMGY-UHFFFAOYSA-N 437.359 4.624 30 10 IJEE C=CCC[C@H](NC(=O)N(C)Cc1nc([C@H](C)OC)no1)c1ccc(C(F)(F)F)cc1 441537265 SUUJHMUBIRMJEW-BBRMVZONSA-N 426.439 4.645 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1Cc2cc(Br)ccc2C[C@@H]1C 460787315 PNZLXCBJJXTNML-INIZCTEOSA-N 438.373 4.554 30 10 IJEE C=CC[C@@H]1N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC2)CCCC1(C)C 461592164 OPVVIGYRLKRHTC-AVRDEDQJSA-N 440.588 4.570 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 461690190 CHMHKXIAXFEZQV-PXNSSMCTSA-N 435.959 4.574 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)Oc1cccc(Br)c1 466285172 DTMFUPYQSQLQOI-HNNXBMFYSA-N 448.317 4.522 30 10 IJEE C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 478999392 VDWBOAJSWSESAW-CFJRQAHESA-N 443.934 4.984 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 505035647 OLGOIQCBYXARIF-UHFFFAOYSA-N 431.458 4.814 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)O[C@@H](C)C2 505916607 GPJHIHJPHACAEO-SOUCHZLYSA-N 444.453 4.912 30 10 IJEE COC(=O)c1c(NC(=O)N2CCC(C)(C#N)CC2)sc2c1CC[C@H](c1ccccc1)C2 506750466 VBIVXWXUXXAIHJ-KRWDZBQOSA-N 437.565 4.965 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 508867528 QIDVKSKOFWXEQU-AREMUKBSSA-N 446.551 4.564 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](c2ccsc2)C1 508930553 MHTOKAQCJRPVPQ-KRWDZBQOSA-N 449.349 4.672 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)CC2)c1 525458027 NREXFFCPTDGYPA-VQTJNVASSA-N 430.426 4.630 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccccc1Cl 526827949 PKASSPZMSXAKDY-QRVIBDJDSA-N 428.945 4.845 30 10 IJEE N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 527306269 HEXAYIGFNPVZKP-UHFFFAOYSA-N 427.224 4.811 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 555255496 GWOWVKXUDZYIOJ-MBSDFSHPSA-N 434.540 4.505 30 10 IJEE C=CCC[C@H](NC(=O)NC1CCN(C(=O)C(C)C)CC1)c1ccc(C(F)(F)F)cc1 578586321 RCDRHAWRUAWIPC-IBGZPJMESA-N 425.495 4.659 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C 742215517 YMUDEZOELUVUEW-QFIPXVFZSA-N 433.577 4.986 30 10 IJEE O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc2c(c1F)CCNC2=O 791355899 IMLPEIVGAZOSLG-DAFODLJHSA-N 446.322 4.801 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1cccc(F)c1 812186291 PHCGQJRUCZHCNC-QFIPXVFZSA-N 449.530 4.761 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(C)c([N+](=O)[O-])c1 917613736 RQCDWUOTSIRSQI-UHFFFAOYSA-O 445.524 4.948 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1)c1ccccc1 1126147631 HVHWXENUPFXXTL-WIOPSUGQSA-N 448.607 4.827 30 10 IJEE C=CCOc1cccnc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1127728387 PZQCTJRLBRTAQS-NRFANRHFSA-N 447.535 4.795 30 10 IJEE COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1127908022 HQJHKDQQZFGVAO-QHCPKHFHSA-N 426.516 4.996 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N1CCCC1 1142900487 MFKLVYLWHNRZAM-RJGXRXQPSA-N 441.616 4.504 30 10 IJEE CC(=O)c1ccccc1OCCOc1c(Br)cc(Br)cc1C#N 1166904228 ZHJCZIIHMZQNGU-UHFFFAOYSA-N 439.103 4.744 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)C[C@H](C)c2ccccc2)n(Cc2ccc(F)cc2)c1C 1167313678 IEWSNSNLBKPWGK-SFHVURJKSA-N 432.543 4.838 30 10 IJEE C=C(C)[C@@H](NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(F)c(F)c1 1169471782 BPNZRYJOVHKDMB-XMMPIXPASA-N 442.506 4.529 30 10 IJEE N#C[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1196102545 ABKGWTIBUBUYEQ-INIZCTEOSA-N 435.325 4.678 30 10 IJEE CC(C)CN1CCC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 1199686553 GPYQRSOKNQAVSJ-OAQYLSRUSA-N 438.547 4.766 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccc(F)cc1 1203737403 WCFDNENGQCZNJB-HNNXBMFYSA-N 431.290 4.603 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CCOC)Cc3cc(Br)cs3)cc2n1 1220157778 VQTKDDKFJSRCFD-UHFFFAOYSA-N 449.374 4.727 30 10 IJEE C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1221076754 HTMRNJNYUWBOQV-IBVKSMDESA-N 426.564 4.758 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(OC(C)(C)C)cc1)c1ccc(Br)cc1 1224611680 ZPNJMRZTNWAFAO-FQEVSTJZSA-N 429.358 4.843 30 10 IJEE C#CCN(C(=O)NCC(C)(C)CC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1233574611 DGLVQMCLSNPZTE-OAHLLOKOSA-N 447.295 4.896 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)CC1 1254927026 JTCDSWJAFDLFMP-XYWHTSSQSA-N 440.971 4.615 30 10 IJEE C#CCOc1ccccc1CNC(=O)C1(c2ccccc2Br)CCCCC1 1265224191 VVNHTQLDQQLGSZ-UHFFFAOYSA-N 426.354 4.979 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(Br)c(OC)c(OC)c1)c1ccc(F)c(F)c1 1269606474 ZHRFKUXJBFQGSE-QGZVFWFLSA-N 426.257 4.792 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCC1CC(OC(C)(C)C)C1 1286291292 VFAWTQVZMDJYTB-JSOIOWGOSA-N 431.584 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCC1CCOCC1 1286518836 LCRNKWKFYYISSQ-KBMIEXCESA-N 440.563 4.756 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1286600217 KBAPSCMROMXPSA-OXQOHEQNSA-N 436.959 4.755 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(N(CC)CC)CC1 1286684138 FMWKETPCQPBTPZ-UHFFFAOYSA-N 449.441 4.703 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(N2CCCCC2)CC1 1286688485 BCRNVERHWRCDPW-UHFFFAOYSA-N 425.596 4.819 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1 1288364720 RFRIULLTZJRLCK-JOCHJYFZSA-N 447.000 4.952 30 10 IJEE CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCCN(C(C)C)C1 1291463772 GXNRFBYTXHMOSP-NZQKXSOJSA-N 434.632 4.953 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(C(F)(F)F)c1 1300430843 PXISPEFFXSELNA-QGZVFWFLSA-N 443.473 4.566 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC1(COC)CCCC1 1300564317 CNYHHFHGPJBTKV-UHFFFAOYSA-N 442.966 4.797 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C(F)(F)C12CCC2 1300612316 YNTMQLCPKHZLQX-QGZVFWFLSA-N 449.343 4.911 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1300741509 YNHROPOQZYHOKF-HTAPYJJXSA-N 444.004 4.568 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1300843198 DEPGRSRBTPQXSW-MSOLQXFVSA-N 436.442 4.545 30 10 IJEE C=C(Br)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccccc1F 1300863147 JHYIHZSUDCMVMB-UHFFFAOYSA-N 431.313 4.733 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1300874550 KVKXMHYHIMIVMK-BVSLBCMMSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCO[C@@H](c2ccccc2)C1 1300883842 FTOIOTBEYGAYOO-AKFKNWHVSA-N 438.616 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCC[C@H](C)C1 1300900062 MLWNJLRIHVNJMP-PMACEKPBSA-N 429.584 4.692 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1300963020 JXUUOWQJSMXNTH-OAQYLSRUSA-N 441.595 4.521 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1301188415 JMMVDMORJMGDAD-LJQANCHMSA-N 430.543 4.756 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1nc(C(C)C)cs1 1301410885 NRHIYFGNXHYTBQ-GOSISDBHSA-N 441.601 4.628 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1301438006 FVUNRGUIWZDCFB-RTBURBONSA-N 445.405 4.986 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@@H](C)C1 1301597265 MSYMQUUKGSWUAG-QGZVFWFLSA-N 446.617 4.517 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1313001741 MEBIDXXSIZSPJC-VOAKCMCISA-N 434.371 4.934 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(C2SCCS2)cc1 1349063419 DYXDQFGFSDPOEQ-UHFFFAOYSA-N 430.547 4.908 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 1349066776 IZPXENGGIOWOLV-CYBMUJFWSA-N 438.398 4.602 30 10 IJEE C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)c2cc(OC)cc(OC)c2)CCCC3)nc1 1350353368 CYLPHYMXCHVJMA-UHFFFAOYSA-N 446.528 4.504 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1355526249 HTIRYWURGVYGPP-UHFFFAOYSA-N 428.471 4.754 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](C)C1 1359050444 QKBBLICOQWNLHX-LJQANCHMSA-N 433.625 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCCCC=C 1359073399 ODRFJQNOTQAVFX-JOCHJYFZSA-N 443.389 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1CC(F)(F)C1 1359102533 CEJYKGJZWUBCHG-GMAHTHKFSA-N 444.570 4.916 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1359125651 NIFXQSNXNRBERS-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](OCC(C)C)C1 1359129155 SPZXYEWYNUJWTL-SFHVURJKSA-N 436.959 4.582 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1359188905 XALRHSFDNQLQOU-TZIWHRDSSA-N 428.577 4.553 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cccs2)CC1 1359205803 KRFAYRWRVLSWSF-UHFFFAOYSA-N 437.613 4.910 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1359206569 JDDKSEPXWGVBPB-UYAOXDASSA-N 447.624 4.616 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 1359248314 IRLSVTAAKCQYAS-APWZRJJASA-N 445.405 4.722 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C)[C@H](C)CC)C1CC1 1359248727 ZRUNIMFOWNPKGU-QGZVFWFLSA-N 446.437 4.901 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCSC1 1359256412 FDBJDWPCFPZFFF-FCHUYYIVSA-N 437.613 4.727 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)c2ccccc2)C1 1359326241 VWYXCJOEWIZJJQ-JMJGKCIBSA-N 438.616 4.782 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1359339977 XCVISADOPLIIKD-QZTJIDSGSA-N 446.642 4.703 30 10 IJEE C=CCC1(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCOCC1 1435183149 HOVKEYICDMNGLG-UHFFFAOYSA-N 446.469 4.947 30 10 IJEE C=CCN(C(=O)c1cc(C(F)(F)F)cnc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1435899041 BYRKEDUOSKDTDQ-QGZVFWFLSA-N 440.849 4.556 30 10 IJEE C=CCn1c(SCC(=O)OCc2ocnc2C)nnc1-c1ccc(Cl)cc1Cl 1436445388 KMXBAZRXVKQGOD-UHFFFAOYSA-N 439.324 4.570 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC)c1ccccc1 1439952625 SUXWGAKWOXICGT-SSEXGKCCSA-N 440.594 4.605 30 10 IJEE COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1452822414 COWZOHMLYLKHAH-UHFFFAOYSA-N 446.488 4.667 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ncc(-c3ccccc3F)s2)CCCN1C(=O)OC(C)(C)C 1459475316 KKCPOCWSYOQVBM-QFIPXVFZSA-N 429.517 4.681 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)C2(c3ccc(C)cc3Br)CCCCC2)n1 1459757157 IXSWLTFTMFMKGP-UHFFFAOYSA-N 442.401 4.838 30 10 IJEE N#Cc1ccc(N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cn1 1460741500 GGLFYLRCHKFRAU-UHFFFAOYSA-N 432.518 4.966 30 10 IJEE COC[C@H](C)N(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1cc(Cl)ccc1C 1462074677 ABBKUKVJZSQERJ-WMZOPIPTSA-N 429.923 4.554 30 10 IJEE CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1463792139 BSVRBPVRFHUQJB-KNQAVFIVSA-N 429.486 4.683 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c1 1465526385 ZGTZBSCGEJKDEN-UHFFFAOYSA-N 431.458 4.970 30 10 IJEE Cc1csc(NC(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c1C#N 1466472034 AAMXZFFCPOSDSW-HNNXBMFYSA-N 437.365 4.519 30 10 IJEE C#CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCCc2ccccc21 1468794151 KVSTWGIWRSBGMM-BJKOFHAPSA-N 447.579 4.975 30 10 IJEE C=CCC1(CNC(=O)NCc2cc(Cl)ccc2I)CCCC1 1470149896 LNCAYQVJWLEKGS-UHFFFAOYSA-N 432.733 4.880 30 10 IJEE C#CCN(Cc1nc2ccc(Cl)cc2n1C)[C@@H]1CCOc2ccc(Br)cc21 1474385429 DYNWCTLEPXMRKE-GOSISDBHSA-N 444.760 4.948 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1ccc(NC(=O)OC(C)(C)C)nn1 1474573060 OZLMNIONGWKRFV-UHFFFAOYSA-N 435.322 4.763 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)c1ccccc1 1475627456 QDDBEXARYWQBEC-SFHVURJKSA-N 436.961 4.683 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1 1477192289 MCBPEGBIXYHYAL-FGZHOGPDSA-N 437.515 4.722 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 1492461369 CYVHXRGPXLYGNV-YOSAUDMPSA-N 439.629 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@H]1C(C)C 1507517367 HCQGPSPERGUTFI-SWHJIRTISA-N 445.611 4.872 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1ccc(Br)o1 1507574851 CPBUORSSSVYTBB-UHFFFAOYSA-N 427.346 4.913 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCCC1(C)C 1507703120 ZXLKISLYGCIENK-RUZDIDTESA-N 426.580 4.587 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(SC)CC1 1507764376 OURKJVSQGFHUGG-LJQANCHMSA-N 431.403 4.595 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cccc(C(N)=O)c1 1507827038 OZOQBMJCVFXBJZ-UHFFFAOYSA-N 435.597 4.587 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 1507841554 WYWBDDNMRAVPLC-HUUCEWRRSA-N 437.357 4.532 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1507879257 PQBXQZSSIUPLDR-UHFFFAOYSA-N 429.446 4.638 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1507947507 GMXGGIUAZCBGLT-LJQANCHMSA-N 431.378 4.852 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCS[C@H](C)[C@H]1C 1508108886 NBCZAGDVQBHPJI-QZTJIDSGSA-N 440.638 4.874 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(SC)CCC2)C1 1508125837 GGZKJPJKSVAEQP-LJQANCHMSA-N 449.020 4.578 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(OC)c(OC)cc1Br)c1ccc(F)c(F)c1 1517408381 BVTRTWNLNOTJRT-SFHVURJKSA-N 426.257 4.792 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 1522970147 DOALWJHOLCYLJR-XGHQBKJUSA-N 444.984 4.640 30 10 IJEE CC(=O)N(CCc1ccccc1)CC(=O)N1CCCSC1=Nc1ccccc1C(C)C 1523473214 LEZNKMGNDYFUKJ-UHFFFAOYSA-N 437.609 4.854 30 10 IJEE C=CCCC[C@H](C(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1)c1ccccc1 1524354063 IVQSZKZCMLUNPH-YKSBVNFPSA-N 440.609 4.571 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)NCCc3ccc(Oc4ccc(F)cc4)cc3)n2)c1 1526652637 AOEDAWSNMHSOEA-UHFFFAOYSA-N 426.451 4.648 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)C1 1529816065 WCUMDLKMNJLVDF-KRWDZBQOSA-N 432.973 4.593 30 10 IJEE C=CCn1c(SCC(=O)NC2(c3ccccc3C)CC2)nnc1-c1ccc(Cl)cc1 1529979366 PNYGIRFQQRBBSS-UHFFFAOYSA-N 438.984 4.991 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)COc1ccc(Cl)cc1C1CCCCC1)C(=O)OCC 1535345329 WCDSXSJCLUYBOQ-GOSISDBHSA-N 428.356 4.957 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(Br)ccc2C(C)=O)cc1OC 1535434634 RFMLESIVGJPWMQ-POHAHGRESA-N 430.298 4.877 30 10 IJEE C#CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 1536278779 FZNCPPUMMLPRIG-HSZRJFAPSA-N 431.536 4.984 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CN(C(=O)OC(C)(C)C)C1CC1 1536694435 JHEBSORSCAGZTO-UHFFFAOYSA-N 441.341 4.502 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)CCNC(=O)c2cc3ccccc3[nH]2)c1 1536873030 XOYGCQSBKSYJGL-UHFFFAOYSA-N 427.529 4.564 30 10 IJEE COc1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)ccc1OC(F)F 1537032865 CFIVJHJPJGRCLM-LBPRGKRZSA-N 428.357 4.870 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1c(CC)noc1C 1538975745 CTSZGHLJPBSHIM-OAHLLOKOSA-N 446.580 4.742 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2cnccc2c1 1539055656 FGNXRQLOYMAYNF-UHFFFAOYSA-N 430.943 4.982 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1Cc2cccc(Br)c2C1 1539516756 BUXPGFWXHOYQSR-UHFFFAOYSA-N 433.419 4.516 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1539526625 NTMSHJAQHRFSJY-NRFANRHFSA-N 438.641 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(OC)c1 1539636875 MKGGIQWINPYAIY-REWPJTCUSA-N 438.597 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@H]1OC 1539656091 SUZNOBVDCCQTBQ-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1539786526 SHVGMSDUKYZRRF-XJKSGUPXSA-N 436.368 4.774 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 1539966447 JPPOLFIHPSVRTH-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1539989341 UUXOFKWGDHLVMA-INIZCTEOSA-N 428.943 4.821 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN(c2cccs2)CC1 1540014316 MEODTMBBFFEGLU-UHFFFAOYSA-N 437.613 4.774 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1C 1540191250 IIIHAIVNICSTIF-WMZOPIPTSA-N 433.394 4.783 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1540920219 RFWMWRQEVTYFHS-OALUTQOASA-N 432.659 4.723 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCSC2)c1C 1542033612 DVNDXSDXMXNCEW-TZIWHRDSSA-N 439.629 4.918 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)C)C2)c1 1542859975 HTRBUNLOHKTPLS-NRFANRHFSA-N 448.640 4.944 30 10 IJEE C[C@H]1CCc2sc(NC(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)c(C#N)c2[C@H]1C 1544832203 BUKGTSQPYDSFAM-RYUDHWBXSA-N 435.471 4.988 30 10 IJEE CCC1(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1546151047 FNNFLDBLTKUVRV-VWLOTQADSA-N 435.616 4.790 30 10 IJEE C#C[C@H](Nc1ncnc2cc(I)sc12)c1ccc(Cl)cc1F 1559187811 DLHUZQWWCOZYKO-NSHDSACASA-N 443.672 4.875 30 10 IJEE C=CCn1c(S[C@H]2CCCNC2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1559316182 WTFPVYISSCKSJQ-WBVHZDCISA-N 430.643 4.714 30 10 IJEE CC(C)(NCc1cc(C#N)ccc1Br)[C@H](O)c1ccc(Br)cc1 1560739300 GHMWSJHZCFFXKE-QGZVFWFLSA-N 438.163 4.685 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1562580690 BIFWKEDJUKYSGJ-OAQYLSRUSA-N 431.492 4.690 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 1564912946 DPUMOIRQWMGOFJ-IFMALSPDSA-N 438.547 4.556 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cnc(-c3ccccc3Br)s2)cc1 1583104942 BKJUIKKSSLOKRI-UHFFFAOYSA-N 427.323 4.515 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1ccc(C(F)(F)F)cc1 1583127923 CMOPIHNCHGJNIX-HNNXBMFYSA-N 448.363 4.914 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(C)nc(N2CCCC2)c1 1587562606 RDRLVBFDOPDIHW-URXFXBBRSA-N 442.611 4.630 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cccnc1OC 1587592429 BONAUMAWAVWLIH-MRXNPFEDSA-N 447.539 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[C@@H](OCC)C1CCCC1 1587658018 ZPZXFOLWIGJNCM-YADARESESA-N 433.600 4.794 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](CCC)C1 1587718937 QUYRYTVRRZMAQW-QUCCMNQESA-N 426.630 4.940 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N(C)c1ccc(C)cc1 1594788496 NSPCJGSJLWWNNB-UHFFFAOYSA-N 444.377 4.715 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCOC[C@H]1C 1595161865 NZJIKDCMIVVQBW-SJLPKXTDSA-N 443.642 4.561 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnn2ccccc12 1595178805 PBZXEJYSQVHWFY-OAQYLSRUSA-N 442.567 4.909 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1595648838 IZIQRUVWNSFZOQ-SANMLTNESA-N 447.583 4.595 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCSC[C@H]1C 1595850806 UIEBOKFAHKPFOT-GFCCVEGCSA-N 445.477 4.630 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)c1ccc(Br)cc1 1596985996 YOBCEPYPLVPYIE-HXUWFJFHSA-N 441.369 4.672 30 10 IJEE C=CC[C@]1(C(=O)Nc2nccc(N(CC)C3CCCC3)n2)CCCN1C(=O)OC(C)(C)C 1596995295 HMXOTYFYAMNWCZ-XMMPIXPASA-N 443.592 4.530 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)[C@H](C)COC 1617421102 TVZVBMCRBXWGSU-HXUWFJFHSA-N 440.547 4.810 30 10 IJEE C[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1c(F)cccc1OC(F)(F)F 1621956719 AIEHZDNUQBKRAW-JTQLQIEISA-N 445.356 4.653 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1622751444 VOWZTGAKABUYRT-UHFFFAOYSA-N 441.597 4.860 30 10 IJEE Cc1ccc(-c2cncc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)c2)cc1 1626676850 HWYIHXIRHLUFGS-DEOSSOPVSA-N 430.939 4.733 30 10 IJEE C=CCn1cc2ccc(NC(=O)CSc3nncn3-c3ccc(C(C)C)cc3)cc2n1 1639187087 GTAHFSGDALRRTO-UHFFFAOYSA-N 432.553 4.657 30 10 IJEE C=CC1(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1639404946 IJHFILANXZBZND-UHFFFAOYSA-N 425.356 4.912 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccccc1F 1640705678 BDHHPYHVLFHFIQ-IBGZPJMESA-N 429.492 4.676 30 10 IJEE Cc1cc2c(NC(=O)c3cccnc3Oc3cccc(Br)c3)n[nH]c2cc1C#N 1640758051 BJNUXMZOTIDRQF-UHFFFAOYSA-N 448.280 4.945 30 10 IJEE C=CC[C@@H](Cc1ccccc1)Nc1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c12 1642788999 FUAUETLAMURTJW-SFHVURJKSA-N 438.597 4.837 30 10 IJEE C=CCOc1c(Br)cc(CNCC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)cc1OC 1648927037 GJXVHPVOLUFYLQ-CALCHBBNSA-N 439.438 4.869 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(SCC)c1 1649544114 VMMYFMAGTBMMOC-UHFFFAOYSA-N 439.585 4.569 30 10 IJEE C=C(C)[C@H](CO)Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 1651566379 NDNFXMCXRCGURN-IBGZPJMESA-N 444.398 4.979 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCOC4(CCCC4)C3)c2C#N)C1 1652696281 CRWCEERCTNAHAY-QGZVFWFLSA-N 429.630 4.744 30 10 IJEE C=CCn1c(S[C@H]2CON(CC)C2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1656002781 SDRDFNNPXHHARO-YJBOKZPZSA-N 446.642 4.598 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1657619513 YSPKWBNPKZLWJM-UHFFFAOYSA-N 433.618 4.852 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)c1 1665184645 RMYXLCXQVVEQQP-SFHVURJKSA-N 441.959 4.825 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)Cc1ccc(Br)cc1C 1666357619 SRMNMBRACAFVPP-OAQYLSRUSA-N 432.383 4.600 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)cc(OC)c1OC 1670679318 RVQBFCVPMRKCDQ-UHFFFAOYSA-N 440.931 4.902 30 10 IJEE C[C@@]1(C#N)CCCN(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)C1 1670799785 CQLSXOWEWYQJEE-SFHVURJKSA-N 436.741 4.505 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](COC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1672827703 FMDRZAGVDIHWAJ-QFBILLFUSA-N 435.749 4.506 30 10 IJEE C#CCN(CC#CC)C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1675437404 DEOZKIDHCSLBIN-DEOSSOPVSA-N 433.621 4.639 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2C)cc1 1682742156 CFPLZHVTFVDFSQ-OAQYLSRUSA-N 427.342 4.816 30 10 IJEE C#C[C@H](NC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1)c1ccccc1 1683507278 BJFCOEJPZKCSEP-IBGZPJMESA-N 425.326 4.650 30 10 IJEE C=CC[C@@H](NC(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccncc1 1684647869 AJOQOQYSSBIFSR-DVECYGJZSA-N 430.593 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC[C@H]1CCCCO1 1690034866 UUFPIZULIOWPTR-XMMPIXPASA-N 430.596 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1cccnc1 1690034947 XDCLNJPEYUPGFY-UHFFFAOYSA-N 445.979 4.914 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)N(C)C1CC1 1690213063 ZWRGQSMZDRGCJL-CCLHPLFOSA-N 449.643 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CCCO)CC1 1690242911 DVUWHJFNZMEMHY-UGKGYDQZSA-N 445.007 4.569 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccco1 1690332558 DTYFIBASVBWJPI-UHFFFAOYSA-N 437.725 4.698 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1690444211 CHBLDMWNPFVEML-QTJGBDASSA-N 438.616 4.785 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CC(F)(F)F)CC1 1690476409 BISNOJWWHNJGHF-UHFFFAOYSA-N 445.892 4.778 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC1=CCCCC1 1690567787 PBNJKGLAALIMAK-UHFFFAOYSA-N 446.530 4.758 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(C)(F)F)c1 1690613902 XSJPNPDLYFYZCQ-UHFFFAOYSA-N 447.917 4.792 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1CCc1nc(C(C)(C)C)cs1 1690615887 VXPOKOKEZGUHEM-UHFFFAOYSA-N 425.602 4.581 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@H]1CCCC[C@H]1C 1692923117 IECWWLJRDWDSOR-JPYJTQIMSA-N 433.556 4.950 30 10 IJEE CCc1nc(C)c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)o1 1694574784 FWVWFELKRXUVBE-LJQANCHMSA-N 448.571 4.682 30 10 IJEE CC/C=C/Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1694978856 GAAQNUHZQUXILS-VOTSOKGWSA-N 442.567 4.744 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C)C1 1705665811 FBCWOMFRISYRRK-HNNXBMFYSA-N 439.412 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCS1 1705671370 HZMFGGGSAVQWHA-IIBYNOLFSA-N 445.430 4.985 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C)CC1 1705708773 HCQZEEATWCTYLW-PWHSHALESA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CCNC(=O)OC(C)(C)C 1705711154 BWSMDGUQCYHXDN-FQEVSTJZSA-N 427.593 4.747 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 1705731543 WQSCWDOXKQXTMW-AZUAARDMSA-N 448.995 4.506 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C[C@H]1CCCO1 1705757695 VGPWLSKEMVMXCR-GOSISDBHSA-N 439.387 4.619 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)SC)CC1 1705764667 IIMHWBJZSDVTAV-CYBMUJFWSA-N 425.371 4.755 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1705796235 BMROHKLUXPBKIE-GMAHTHKFSA-N 434.588 4.558 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705813072 VCIBUIOACIYYBL-KRWDZBQOSA-N 426.952 4.715 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705813941 XYYRRTMAVHBXEG-SFHVURJKSA-N 430.980 4.705 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCNc1ncc(Cl)cc1Cl 1705840875 FUAURCISSDRAMD-UHFFFAOYSA-N 442.354 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCCc1cccc(C)n1 1705866302 MPLIDZCMESEFTG-FQEVSTJZSA-N 437.613 4.762 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCC(C)CC1 1705873192 ADFAHPBCGVKNNQ-UHFFFAOYSA-N 432.572 4.510 30 10 IJEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CCSC)s1 1708958323 HKQHPZRCMPSTGL-INIZCTEOSA-N 440.642 4.656 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1710019553 HBAPHVWUSPDCCN-UTKZUKDTSA-N 440.592 4.825 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1711542692 AORNSLGFHDTBFD-DRMXPCRNSA-N 443.567 4.538 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@@H](F)C1 1722379971 SNFMNWXUCMAMLC-GDBMZVCRSA-N 449.755 4.572 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCc1csc(-c2ccccc2)n1 1722399249 RQIQIJOPKWDZLD-UHFFFAOYSA-N 443.620 4.840 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1722452518 QBWVTGLMZSTYCN-RUZDIDTESA-N 449.624 4.564 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCCCCC1 1722510352 RDZBXMRJARVVFT-WZONZLPQSA-N 430.543 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCn2cc(C)nc21 1722514942 HYMKGBXGHYQODU-QFIPXVFZSA-N 448.615 4.959 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@](C)(CC)C1 1722528379 FPJDLFUARWHGMM-SQJMNOBHSA-N 442.604 4.633 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)CC1 1722565874 DRWCFBJSSGVQRN-HSALFYBXSA-N 429.609 4.766 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1722569661 JHPGGROPKOYGGQ-FQEVSTJZSA-N 441.963 4.563 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC2(O)CCC2)CC1 1722579426 PYZKTNRJZOZLBF-UHFFFAOYSA-N 438.616 4.862 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722616687 ZEYGYZZZPCVXED-LJQANCHMSA-N 440.979 4.639 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)C(C)C 1722664257 UWDISHRLVIFPFY-HSZRJFAPSA-N 428.577 4.669 30 10 IJEE C=CCn1c(C(C)C)nnc1N1C[C@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1722682953 UUJAEFHRENRIDD-LRTDBIEQSA-N 433.915 4.684 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722684084 QVCGONLAHJNLPN-OAHLLOKOSA-N 436.387 4.571 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(C3CCC3)C[C@H](C)C2)cc1 1722703116 VQFWQXWPMMGBLG-LEWJYISDSA-N 437.632 4.715 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)CC)cc1 1722706893 ZZQRXETVWTZSII-UHFFFAOYSA-N 433.375 4.838 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)CC(C)(C)C1 1726670143 COTHKNYTRYPLJP-XDHUDOTRSA-N 435.597 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCSCC(F)(F)F 1740535592 RZKNNRPTTOVQFK-RDJZCZTQSA-N 440.535 4.788 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1740567683 UWIQHAKIMAMBHP-MSOLQXFVSA-N 430.980 4.879 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](OCCC)CC1 1740712370 GDSBZFHIUWGVDO-QFIPXVFZSA-N 426.630 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC=CCC1 1740754373 RWZXDZIBOGBPRM-PBHICJAKSA-N 435.391 4.517 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1 1740782301 LRKYXYYWZIZTDH-SFHVURJKSA-N 431.625 4.841 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CCCCC2)C1 1740974356 LLKKYZUFUFCLEF-HXUWFJFHSA-N 432.515 4.908 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1741000493 BCMYPYRCWLUJGA-KRWDZBQOSA-N 426.577 4.845 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1741002310 KRHLWVVPGQZECB-SFTDATJTSA-N 444.620 4.570 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)s1 1742505480 HGWHFFNQZYBIOW-CQSZACIVSA-N 428.512 4.621 30 10 IJEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[C@H]1CCO[C@H](C)C1 1742941989 DKDWMXDODPLZCV-UXHICEINSA-N 437.588 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1sc(C)nc1C 1748640070 QEUGLXQVDFPIKO-LPHOPBHVSA-N 437.613 4.809 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cccs1 1748868777 IDDURYRMGXEOAG-UHFFFAOYSA-N 443.601 4.950 30 10 IJEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1749016892 HKTKJGGQWXTGPU-WDSOQIARSA-N 449.521 4.985 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@H](C)CCSCC 1749098942 RZZQVTDKVNJILF-CQSZACIVSA-N 427.387 4.961 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1cccs1)N(C)C 1749162565 PVTLZRXCQJOIJI-FQEVSTJZSA-N 427.593 4.775 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749181465 HRQNDMBNRUVLAD-AWEZNQCLSA-N 436.368 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1749335952 VOLGDTYLPHLUGS-HJPURHCSSA-N 430.980 4.561 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1749359391 KDJHPWAVYMATOU-SFHVURJKSA-N 436.560 4.631 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)cc1F 1749591836 ZXSXVQHRWNDNNC-NRFANRHFSA-N 428.483 4.674 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CCCCC1 1760105779 VAPMZMFRMFCYIT-HNNXBMFYSA-N 431.378 4.754 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760276950 URBCJDLIKZGUAW-IUODEOHRSA-N 446.901 4.739 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760326434 XNJWTKJCFYDPCV-NCAYHCJHSA-N 438.616 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CC)CCC1 1760337234 OLYMKWGCMJFUGV-LJQANCHMSA-N 447.624 4.569 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1760344734 CMBWNXNADLUFRO-HXUWFJFHSA-N 448.615 4.915 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOCC)CC1 1760398573 DEKAUNXXHDGSTA-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCN2CCC)CC1 1760406206 WIOPMVPSYLJZHU-DNVJHFABSA-N 443.680 4.864 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1760442525 DGVBOTFFNIAREC-UHFFFAOYSA-N 426.630 4.522 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@H](OC)C(F)(F)F 1760455949 CUBCNAIXQPIODY-WMZOPIPTSA-N 426.483 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCOC1 1760496770 GCDORGJXJDQCRK-INIZCTEOSA-N 437.371 4.769 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1CC(F)(F)Br 1760499578 CSMXBLKNVNOJNW-UHFFFAOYSA-N 437.288 4.761 30 10 IJEE C[C@H](CN1CCCCC1)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1761430902 BNVQXUMNDJWOAX-NTKDMRAZSA-N 441.023 4.851 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1csc(CC)n1 1772522772 JUDNBWPZDMSJCH-OAQYLSRUSA-N 429.952 4.797 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCCN1CC 1772522794 SJPRVCGFPKPGML-WZONZLPQSA-N 429.971 4.604 30 10 IJEE C=CCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=Nc1cccc(C(=O)O)c1 1772737272 POCXQUFEHROPAI-JALCQIMTSA-N 435.461 4.639 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=Nc1ccccc1C(=O)O 1772762660 MLMAJTMXYIYJSJ-KWKLDLJFSA-N 438.505 4.582 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)c1 1860684697 SJBZXQVDIWTFMJ-UHFFFAOYSA-N 438.483 4.716 30 10 IJEE O=C(/C=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 1860726804 HANYVUCADJBDST-QHHAFSJGSA-N 444.068 4.885 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1C(F)(F)F 1861043501 GRZWZLGMULWYDP-XLIONFOSSA-N 442.522 4.538 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862448341 KXTXQKZRNOBBKP-HXUWFJFHSA-N 429.900 4.679 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862560151 FPHZHYRKWKUDNW-QHCPKHFHSA-N 447.535 4.535 30 10 IJEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(O)cc2)cc1 1862590564 LGMQYRVDPYSNFB-UPCLLVRISA-N 443.499 5.000 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862598818 ZSAGGCSUGGSRBT-XORNHQRDSA-N 435.520 4.948 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1F 1862636719 MURICQNUAIJTKD-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1O 1862677214 BFGXIZFUXCNHDU-JVJLVOBOSA-N 439.483 4.697 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2C)cc1 1862687782 PKRWHASAIHEUJW-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CC(C)Oc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862927572 WAMNPDAEICISSJ-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE COc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863077702 WFFUUOYLBRXPQF-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc(Cl)cc1C(=O)Nc1c(Br)cc(C#N)cc1Br 1865899542 LFERNCJUIFXCNN-UHFFFAOYSA-N 444.510 4.998 30 10 IJEE CC[C@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 1867048548 FQSNUQDSBODYDO-DEOSSOPVSA-N 432.549 4.538 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)cn1CCOC 1870403884 BPZVABPMVYIHOI-UHFFFAOYSA-N 437.367 4.555 30 10 IJEE C#CCOc1cn(CCCCCO)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871006149 RJNOTWJTZJKCHQ-UHFFFAOYSA-N 430.548 4.610 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871406709 UXUOEXKJPGFEED-GLFIFPSUSA-N 444.443 4.925 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 1871432389 AVQADUOIQFMJQN-ZIHVZMLCSA-N 440.492 4.739 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871458208 FYGZWKIPXOHOGM-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)C1CC1 1872160578 ZLTPIYCPKKOYDH-HSZRJFAPSA-N 447.645 4.545 30 10 IJEE C=CCN(CC=C)c1nc(Nc2cc(OC)ccc2OC)c2cnn(-c3ccccc3)c2n1 1873481890 WACGXQMYAPQTFQ-UHFFFAOYSA-N 442.523 4.755 30 10 IJEE C=CCn1c(C(=O)N2CCCCC2)cc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 1873560898 BBNDRPIPLZMUBF-UHFFFAOYSA-N 443.595 4.703 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641563 ZYTLWBMLOMFLQS-UHFFFAOYSA-N 438.491 4.669 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCCCCCCO)ncnc21 1873643149 FQKJUWBNZXYHDL-UHFFFAOYSA-N 441.963 4.796 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2/N=C/c2ccccc2F)c(C(C)(C)C)c1 1874203730 QBQNTGPYDZOVOJ-AFUMVMLFSA-N 442.560 4.569 30 10 IJEE COC(=O)c1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccccc2)o1 1874395402 LSOODDVSCVYCIF-SCELWYEFSA-N 446.532 4.984 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccc(F)cc2)cc1 1874470030 KKRZQAPDMUPFFU-PCLIKHOPSA-N 442.560 4.960 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCC(=O)OCCC)cc1 1874481419 ZYZUPJCIJPLWIH-XQNSMLJCSA-N 432.590 4.727 30 10 IJEE CCN(CC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(Cl)c(OC)cc1OC 1874588643 WYHSPPGPVNOBFO-VAWYXSNFSA-N 431.916 4.501 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC 1874594964 NAEIOBRCWVGIOI-WUXMJOGZSA-N 440.496 4.527 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1 1874610166 DVIXSFKZBSZCSU-WLRTZDKTSA-N 446.459 4.825 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1OCCO 1874635583 QBUKVTIGMVVUJR-CSKARUKUSA-N 427.497 4.867 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)C1CC1 1874698572 CXEQMYTVSWTXPE-MDZDMXLPSA-N 431.282 4.678 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cnccn1 1875171285 OVWOTVPESQVNLZ-SOFGYWHQSA-N 432.476 4.616 30 10 IJEE Cc1ccc(CN(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 1915605696 HQVADGUAEJRJMO-HSZRJFAPSA-N 435.417 4.864 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 1997658443 DBCBJQVXIKFKNO-FCHUYYIVSA-N 432.605 4.542 30 10 IJEE C[C@@H]1CC[C@@]2(CSC(=NCC3(N(Cc4ccccc4)Cc4ccccc4)COC3)N2)C1 2018689284 WKRDITHJBXTTEZ-BWKNWUBXSA-N 435.637 4.709 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(F)c1 2080079784 LQVBSIUGDCNSMO-AWEZNQCLSA-N 449.214 4.690 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 2102880986 VWGNSRBVSHRCDN-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)cc(F)c2C#N)C1(C)C 2107449493 JGOXYDBXHJNAGT-GFCCVEGCSA-N 426.330 4.907 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)c1ccc(C#N)c(Br)c1F 2118150960 KHNXXXRENVKBQS-TZMCWYRMSA-N 426.330 4.542 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)c1cc(Cl)sc1Cl 2157019010 APNYXRWKXYTHDV-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)Cc1ccc(Br)cc1C#N 2174590559 FPCKDXRMVALJLD-KXBFYZLASA-N 436.394 4.788 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2174764778 CPOHVZKPQLKCQU-OAHLLOKOSA-N 440.357 4.932 30 10 IJEE CC1(C)C[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CN(C(=O)OC(C)(C)C)C1 2180875563 VCFNYIVUSYYESD-CQSZACIVSA-N 436.350 4.542 30 10 IJEE C[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 2187957473 CBYYBNLQDJQTFL-ZDUSSCGKSA-N 436.350 4.542 30 10 IJEE CC1CCC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 2194367514 JLCXPNPUHSCGKO-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](CC)CN1C(=O)OC(C)(C)C 2235727200 JYSFKOMGTRURMF-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247826297 RORGFEMDFXPSGI-INIZCTEOSA-N 428.407 4.519 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2249387105 VMNWMSIDPURTKX-UHFFFAOYSA-N 429.728 4.607 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2255364806 SMNCFJPNGAYQGX-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1F 2255858149 LKEHGRXDJKDKDT-VXGBXAGGSA-N 438.280 4.733 30 10 IJEE C=C(Cl)C[C@H](NCCC)[C@](C)(O)c1cc(Br)c(Br)s1 2266485290 DFYDXPOUDMRWCG-GWCFXTLKSA-N 431.621 4.991 30 10 IJEE CC(C)[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C(=O)OC(C)(C)C 2279442422 IJIKDGBAPUUYSA-DOTOQJQBSA-N 436.350 4.541 30 10 IJEE C=CCOc1ccc(C=C2NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 2294040456 DJGHFJZRBPFFJJ-UHFFFAOYSA-N 433.689 4.765 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296274199 SNXFMHKHIXGHFK-RSPOEFSDSA-N 434.374 4.730 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2296286132 IGKGMRVTHFJSQI-PKOBYXMFSA-N 435.406 4.672 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CC)nnc2SCC(=O)OCC(C)C)cc1 2321042459 YMGZDAPLSQFSTO-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2ccc(CC)cc2)cc1 2321248553 ZNEJXRYICNEIRX-UHFFFAOYSA-N 437.569 4.632 30 10 IJEE Fc1ccc(COc2cccc(C=Nn3c(S)nnc3COCc3ccccc3)c2)cc1 2322016145 HWYFOJVTTMBWOJ-UHFFFAOYSA-N 448.523 4.884 30 10 IJEE Cc1ccc(CCc2nnc(S)n2N=Cc2cccc(OC(=O)c3ccco3)c2)cc1C 2322044783 KMUTZIKHJKRIMP-UHFFFAOYSA-N 446.532 4.663 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1cccc(C)c1 2322485532 WUJSPTKAQRRSJG-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OCc1cc(C)ccc1C 2323097801 ANMYLWJFPHRPAT-UHFFFAOYSA-N 438.549 4.594 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1OC 2323557370 CNZHRMMOMCQDNK-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)ccc2C1=O 2325009148 VDWGBOAUVBFQQY-GOSISDBHSA-N 443.499 4.958 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OCC 2325648761 SFUPMPDJYFQQFA-UHFFFAOYSA-N 437.414 4.994 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3)c2)c(OC)c1 2325760880 BCFCYAGBEUDGSV-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2C)c(Br)c1O 2326426984 WVOHKXCUQOVQCZ-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2327320488 SBXBWQNGOHUARX-UHFFFAOYSA-N 445.932 4.975 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2327571137 ZYNVUYKEYHXZLF-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2337522205 ZQZFEVRGSBPVHV-ROUUACIJSA-N 425.367 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339585164 LFPHUFXUWXGRSP-XYDKVEKUSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2360196673 VHDHONWXYRQHBJ-UYZIEWPDSA-N 434.374 4.635 30 10 IJEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1/N=C/c1cccc(Br)c1 33246265 QCGDBHWSFUGYSQ-MPGSNBGNSA-N 448.323 4.593 30 10 IJEE C=CCN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12)c1ccccc1 33328807 SNTQLMMQARQUFI-UHFFFAOYSA-N 441.516 4.849 30 10 IJEE C#CCN1C(=O)S/C(=C\c2cc(Br)c(O[C@@H](C)CC)c(OCC)c2)C1=O 33436853 BAVIPSDRFBXEAC-IEMQHYRPSA-N 438.343 4.695 30 10 IJEE COc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 34719287 DEPVNDFPCAUFKJ-KRYZVCHRSA-N 441.483 4.886 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 34955305 NHOMLZOJVRYCCE-NTEUORMPSA-N 448.471 4.836 30 10 IJEE N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 36564448 DWHNLQWWBIGJJR-UHFFFAOYSA-N 443.572 4.739 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OCC)cc1 40095843 DHOSTCBCBSUTCH-HJPURHCSSA-N 435.520 4.787 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCC)c1 40096008 IHCKEMZGSGDLMY-BXKMTCNYSA-N 447.531 4.953 30 10 IJEE Cc1ccc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)c1 45619905 HQSUXZQQFXAKOP-UHFFFAOYSA-N 425.513 4.849 30 10 IJEE COc1ccccc1N1C(=O)C[C@@H](S/C(=N/c2ccccc2)NCc2ccccc2)C1=O 59446242 PVZZHULACNMBPC-JOCHJYFZSA-N 445.544 4.538 30 10 IJEE Cc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc(C#N)cc1 96930581 MFOJCWTWFJGNQD-MTJSOVHGSA-N 428.423 4.612 30 10 IJEE CCOc1ccccc1N/C=C1/C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 105286059 QQNMXWYVVQEGCO-KQWNVCNZSA-N 434.517 4.572 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1Cc1cccs1 169939838 YHCNGRBJVVXFFB-SFHVURJKSA-N 440.546 4.609 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccs2)c1 169981905 VMUQKMIXHRNBDO-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccncc1 170018022 CEAOASREOOOZKX-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(O)cc1 170133603 KPXDNOHJZINOFO-GYCJOSAFSA-N 441.483 4.807 30 10 IJEE CC(C)Oc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170149993 ISZWYRAUGKZTIU-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccs2)c(C)c1 170160231 OJVWISFXEZBLEK-OAQYLSRUSA-N 435.501 4.862 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccccn3)oc12 170173337 LVPLJJNWDNLMIR-OAQYLSRUSA-N 426.428 4.619 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccn2)cc1 170174798 RSLDFFVCAXVTSR-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)cc1C 170187883 NZGKPKCLNZJCDA-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccco2)cc1 170280730 SKPDXBBMIQSPNC-QFIPXVFZSA-N 441.524 4.852 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2ccco2)c1 170282668 AXICZXUOSGVSOE-HSZRJFAPSA-N 444.487 4.508 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1cccnc1)c1cccs1 170353932 UKBIKMWJEYMMGN-KRWDZBQOSA-N 446.406 4.825 30 10 IJEE C=CC[C@@H]1C=C(C)C[C@@H](CC=C)N1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 209179173 QELPOVOUSULFHC-NHCUHLMSSA-N 445.523 4.516 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(c2nnc3ccccn23)CC1 460372810 YFHCHTNYCAADLZ-QFIPXVFZSA-N 441.583 4.823 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2COCCO2)n1CCc1ccccc1 460408363 BTZRRRLSNZWNFN-LJQANCHMSA-N 444.988 4.516 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCOC1 461678517 AQKAUEQGVRNFIX-FQEVSTJZSA-N 433.943 4.699 30 10 IJEE N#Cc1cc(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)nc2ccc([N+](=O)[O-])cc12 462805380 RVUZAHCLRMWBIY-QFIPXVFZSA-N 447.882 4.620 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)[C@@H]1Cc2ccccc21 475967018 OFDGQKTYLVMKKQ-LJQANCHMSA-N 425.941 4.698 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(O)c(OC)cc5[C@@H]4C)[C@H]3C[C@@H]12 504113618 KWBZASDHYSHVQB-MKWALEHWSA-N 425.569 4.634 30 10 IJEE biogenic C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCC(O)(c5ccc(Cl)cc5)CC4)[C@H]3C[C@H]12 504203225 WXTDWTMLFMQYPE-COWNTTACSA-N 444.015 4.938 30 10 IJEE biogenic Cc1nc(CCC(=O)NCC2CCC(C#N)CC2)oc1-c1ccc(Br)cc1 508358040 BXQWQZRXDUSVBZ-UHFFFAOYSA-N 430.346 4.791 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(OCC2CCCC2)CC1 508862230 FXPNJVCDSVNKFP-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)N2CCCC2)CC1 549675403 IAVOBIVOQMTEJJ-UHFFFAOYSA-N 429.568 4.513 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 549676001 HSNMTSBSSOQMHL-KRWDZBQOSA-N 427.549 4.721 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 554929570 CFULEJGBEXMWCT-HRAATJIYSA-N 440.931 4.541 30 10 IJEE N#Cc1cccc(C(=O)N2CCC3(CC2)C(=O)N(c2cccc(F)c2)[C@H]3c2ccccc2)c1 581801126 XGYFHMJDNWQQQX-DEOSSOPVSA-N 439.490 4.708 30 10 IJEE C=C(CC(=O)c1cccc(Cl)c1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585825567 ISABTGHFODTROX-UHFFFAOYSA-N 439.987 4.913 30 10 IJEE COc1ccc(S(=O)(=O)N(CCC2=CCCCC2)Cc2cccc(C#N)c2)cc1OC 586174866 FODKFRYVPMTQPD-UHFFFAOYSA-N 440.565 4.657 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)cc1C#N 608990256 YIIDDRVFBHJHBA-LJQANCHMSA-N 429.973 4.956 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(OC)cc1Br 698375984 OCMUTLULUYXQBU-SFHVURJKSA-N 440.382 4.601 30 10 IJEE Cn1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1Cl 712455485 LCGMCLBNUVVWFK-CQSZACIVSA-N 425.714 4.842 30 10 IJEE C=CCC1(C(=O)Cc2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 722954116 QGLQSIDEECMDGJ-UHFFFAOYSA-N 430.289 4.652 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2oc3ccccc3c2C)C1=O 734299746 IRNQORFTFRRTGA-LJQANCHMSA-N 441.940 4.662 30 10 IJEE CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740057458 HDKVPOIKTNBMHE-UHFFFAOYSA-N 444.560 4.521 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 765031443 BMGGPJMPSDHDNW-QAPCUYQASA-N 430.574 4.887 30 10 IJEE C=CCn1c(C)nn(CN2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)c1=S 793726828 ZPASYYSRYDHTDI-QHCPKHFHSA-N 427.662 4.531 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 802571187 NVTFAYREPVAZCZ-UHFFFAOYSA-N 436.987 4.895 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(NC(=O)NC2CC2)cc1 915048948 LXBPGPBEPOKCER-UHFFFAOYSA-N 428.418 4.769 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc2ccccc2c1 917698240 BGYVEAFZENZGMF-JOCHJYFZSA-N 446.576 4.886 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccs3)n2)cc1 1084299599 ZHXBJNMTUNGGGK-AWEZNQCLSA-N 428.587 4.947 30 10 IJEE CC(C)COC(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084446504 JUOKGNAWTBECAX-UHFFFAOYSA-N 433.537 4.848 30 10 IJEE C=CCN(C(=O)[C@H]1CCC(C)=C(C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124682630 LFAGYSWEMJHGID-SFHVURJKSA-N 430.595 4.869 30 10 IJEE COc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 1125464788 AHQFFPVLXGOICB-VFNWGFHPSA-N 443.906 4.686 30 10 IJEE N#C[C@@H]1CN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CCN1Cc1ccccc1 1126036161 BDUIYOGZIWMKLN-NOZRDPDXSA-N 445.563 4.896 30 10 IJEE C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1128677107 DESDPCUIZKPOAZ-QGZVFWFLSA-N 433.458 4.980 30 10 IJEE C[C@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 1129842567 ANBVVXFXYPTJAY-INIZCTEOSA-N 436.309 4.716 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1130302708 HJDJPNHUQUVFMC-KKSFZXQISA-N 430.317 4.970 30 10 IJEE C=CCCC[C@@H](C(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1)c1ccccc1 1136483512 PYAXMHKUURSMCA-RUZDIDTESA-N 434.580 4.946 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1ccc(C(F)(F)F)cc1 1137721462 BYWHXYAOXSCHDI-MRXNPFEDSA-N 446.878 4.595 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(Br)cc(C(F)(F)F)c1)C(C)C 1144198127 UXAWSHWPGRQCKM-QGZVFWFLSA-N 433.312 4.896 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 1157501792 OQORTJMMTQFZFP-UHFFFAOYSA-N 448.604 4.884 30 10 IJEE C#CCN(CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1ccccc1 1170094831 KHTXHEXIKCGHAQ-QFIPXVFZSA-N 439.559 4.594 30 10 IJEE CC[C@](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)(C(=O)OC)c1ccccc1 1197961967 DOYWYDZZAZIVNB-SHQCIBLASA-N 441.531 4.985 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C)c1)c1ccc(C(F)(F)F)cc1 1211147712 HGTXDVYWOCOOAO-LJQANCHMSA-N 441.471 4.786 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F 1220089518 KGDNFGZNNSPGNL-OAHLLOKOSA-N 439.261 4.583 30 10 IJEE C=CCCCNC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I 1248409699 BBOKHAUSWGCONG-SFHVURJKSA-N 438.284 4.785 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c(C(=O)OCC)c1C 1264357522 RJSYIGLYTUQTRO-DLBZAZTESA-N 427.522 4.627 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c1 1264942744 FATDYSDXHVXJNG-UHFFFAOYSA-N 430.460 4.830 30 10 IJEE C#Cc1ccccc1CC(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 1274864006 YJPATBBYUCIXGA-KRWDZBQOSA-N 427.317 4.518 30 10 IJEE C=C1CCC(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)CC1 1278825755 MRZNAHWHLWDNEL-FPOVZHCZSA-N 446.563 4.790 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286344122 ZALWBDXUINRCPE-NHCUHLMSSA-N 435.597 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@H]1C(=C)C 1286518595 HLTMEDZQIWSZSE-DZNWXHPMSA-N 438.547 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(OC)c1 1286570176 OQXGQKWBYZLHIY-UHFFFAOYSA-N 444.377 4.689 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1286584776 TXNQZUNMZQBZRN-YJBOKZPZSA-N 426.362 4.994 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCOC(C)C)CC1 1286639676 CNILYKWILNNMPT-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCN2CCCC2)CC1 1286657353 XSQADZKWGARSOT-JOCHJYFZSA-N 437.632 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@](C)(OC)CC1 1286667481 JXCINHGZRXHLPE-RUZDIDTESA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286667696 LXSBARFTADPCLO-IBGZPJMESA-N 445.489 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1286675765 SEDQHPINYYRPOC-QZTJIDSGSA-N 425.602 4.661 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cn2cccn2)CC1 1286687215 HMJWWTNLSCUOIZ-UHFFFAOYSA-N 440.542 4.617 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(C)(F)F)C1CC1 1286738827 FJKPYLHADRXRKW-INIZCTEOSA-N 425.524 4.550 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H]1C(=C)C 1286743187 BMANVTSHCLQZSG-ISKFKSNPSA-N 429.568 4.822 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 1286825261 IBWZSURCVYHJQN-OAQYLSRUSA-N 427.662 4.660 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1289407029 QOLISRRVEDMPQQ-IBGZPJMESA-N 437.378 4.818 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 1292038595 IJJQPYNWKLMIFP-UHFFFAOYSA-N 442.924 4.958 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1300422015 WIPBRAABUMPXQG-VXKWHMMOSA-N 437.632 4.621 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1300440945 BWPLSEJWKWFTJH-IBGZPJMESA-N 443.389 4.659 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2sccc2[C@@H]1CC 1300767336 VFJTYXBEFVMNEM-SFHVURJKSA-N 428.652 4.872 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccoc1C 1300890193 ULBYOTJGVOSMPJ-WZONZLPQSA-N 442.510 4.666 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1300937141 IBNBDTQGFQBNRH-LJQANCHMSA-N 444.421 4.657 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1300996312 CTBBQECSTSOSQC-NRFANRHFSA-N 438.616 4.681 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CC2(CCOC)CCCC2)CC1 1301095099 BNMDXPQJNRCSJY-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC1CCOCC1 1301151858 RNNRPYVABWWALH-QFIPXVFZSA-N 440.588 4.646 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 1301164408 SRJQJMFPGMQPRZ-QPPBQGQZSA-N 449.643 4.990 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc2c(c1)COCC2 1301170041 MLCJOUBPONLWRZ-UHFFFAOYSA-N 431.584 4.952 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(c2ccccc2C)CC1 1301270306 GEXSXUJFFKEPSF-UHFFFAOYSA-N 440.389 4.709 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](c1ccsc1)N(C)C 1301289958 WEWNSOFAJGZJPP-HXUWFJFHSA-N 434.569 4.587 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C)CCC1 1301342107 YPNWGHKIJQSVIE-SANMLTNESA-N 449.599 4.573 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C1CCCC1 1301981019 HYNDGWWCBXKGNH-QGZVFWFLSA-N 447.052 4.694 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c(Cl)c1 1304271640 ONMXFPQWPVOWSC-UHFFFAOYSA-N 442.899 4.822 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3sc4c(c3c(=O)n2[C@H](C)CC)CCCCC4)C1=O 1307240650 UPNSQIVMFQJITO-RHSMWYFYSA-N 431.627 4.577 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1ccc(S(=O)(=O)C(F)(F)F)cc1 1307310052 GYFFHCYCGNWWSS-CYBMUJFWSA-N 449.541 4.737 30 10 IJEE CCN(CC)C(=O)COc1ccc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1Cl 1310055820 GWLUGKNPCDOMPX-MRXNPFEDSA-N 442.947 4.684 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 1312292278 DTGDONDQAJOXKK-QFIPXVFZSA-N 428.527 4.697 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1312601784 CZTCCLJBMNWBHL-SXLOBPIMSA-N 443.316 4.613 30 10 IJEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCC(F)(F)C1 1316101033 BVJBEXMGHXAAIZ-IBGZPJMESA-N 449.521 4.590 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1sccc1C)[C@@H]1CCOc2ccc(Br)cc21 1353634074 JFQUTHWUKGARSO-LZLYRXPVSA-N 430.367 4.908 30 10 IJEE C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1354735602 CJJJGAVOMPKYRT-RHSMWYFYSA-N 442.346 4.970 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1358912684 WGVATLQSJZSVJP-RXVVDRJESA-N 428.964 4.634 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCSC(C)C 1358969674 UDWOOLGDELAZLN-LJQANCHMSA-N 445.032 4.903 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC(C)C)CC1 1359092411 AQIQFWGXNYXZFE-DENIHFKCSA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCc1cn2ccccc2n1 1359115957 SNQVNDGAESZDRO-UHFFFAOYSA-N 444.583 4.767 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359129142 SDDLFLWKBCJBSO-HXUWFJFHSA-N 432.996 4.975 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1359160999 MEXMDDYQKYBAOU-IERDGZPVSA-N 433.394 4.661 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCn2ccnc2C)CC1 1359169229 ZFIXPMNNJJMCHO-UHFFFAOYSA-N 447.370 4.525 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1359176888 RNPKWJSINUTGCQ-OAQYLSRUSA-N 425.596 4.855 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1359177188 DOBFDTRJVCKBEG-UHFFFAOYSA-N 431.462 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359191128 OCDASEVLVUASGR-LJQANCHMSA-N 449.565 4.738 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1359195752 RCQSXSBVOQMSBE-QFIPXVFZSA-N 426.605 4.672 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1359200518 IUUMJFCKELGAFZ-KRWDZBQOSA-N 445.493 4.753 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)N1CCCC1 1359257982 CCILQQRYLZOUNT-VWLOTQADSA-N 444.627 4.962 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1Cc1occc1C 1359261470 KCQUZVUHQCZUSU-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1359344573 CFRDJLHXUCSETE-UTKZUKDTSA-N 439.654 4.935 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(Oc3nccs3)cc2)CCCN1C(=O)OC(C)(C)C 1435322505 IHRLPZJNGFOTLE-QFIPXVFZSA-N 428.510 4.634 30 10 IJEE COc1ccc([C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)N2CCCC2)cc1 1440370066 HRWWSNJNPMAKPS-DEOSSOPVSA-N 441.531 4.926 30 10 IJEE C=CCn1c(SCc2ccnc(N(C)C)c2)nc2sc3c(c2c1=O)CCCCC3 1458727021 KBKLHUAWHDGQRT-UHFFFAOYSA-N 426.611 4.666 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)OC)cc2cccnc12 1463010855 UCIRCJPLKLATLQ-UHFFFAOYSA-N 430.382 4.857 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(I)cc(C)c3C)cc21 1463119391 OTTFVXWMACTRPJ-UHFFFAOYSA-N 431.277 4.696 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 1466816247 CATIODDUNIOINZ-SWLSCSKDSA-N 437.256 4.635 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1469490275 AAGLWLSKYUMBBE-PBHICJAKSA-N 429.483 4.925 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 1471619885 PWANVRGHNKGXDM-OKZBNKHCSA-N 426.479 4.927 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc3c(OC)cc(Br)cc3s2)cc1OC 1472318678 UZCVRGNFMHZNJD-UHFFFAOYSA-N 449.326 4.893 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCC3(NC(=O)OC(C)(C)C)CCCCC3)c2c1 1472680671 DESOVAKNWPLVCV-UHFFFAOYSA-N 440.544 4.763 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3CCCCN3C3CC3)cc2Cl)c1 1476098977 CGTVMNKNASLUHS-NRFANRHFSA-N 438.959 4.929 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(Br)n1 1476369767 CQKVFRSEXNNTFD-UHFFFAOYSA-N 443.114 4.966 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 1477843712 DQCRJOHQIKKTSA-UHFFFAOYSA-N 429.605 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC(F)(F)C1 1507524930 XDYACKPGXLPNAQ-CHWSQXEVSA-N 441.295 4.740 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H]1CCCCO1 1507557944 PDISTJQXUAXRFV-ICSRJNTNSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1507577586 RKTYFSKMVMQIOM-GOSISDBHSA-N 449.555 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC1CCN(CCC(C)C)CC1 1507762954 GQRYTRXISUDOKM-HHHXNRCGSA-N 449.643 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCN(C(C)C)C(C)C 1507763442 VIXFBEKVHOYHRD-AREMUKBSSA-N 430.600 4.604 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1507833953 QXQJDNJNFDNPGG-JOCHJYFZSA-N 436.556 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1507919845 ROSPPWYUCPXMLW-XMMPIXPASA-N 448.558 4.836 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507933999 VXHRCCXNJQIMJO-LJQANCHMSA-N 444.023 4.572 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CCCS1 1510271378 FLZVBSIVLUTKLG-OPAMFIHVSA-N 429.565 4.583 30 10 IJEE CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 1518658903 DTDLIHKCJLYWSU-CYBMUJFWSA-N 430.302 4.706 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc2cc(Br)cc(Br)c2o1 1524517319 YLYXRWPSISBLGV-BONVTDFDSA-N 443.135 4.669 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2c(Br)cc(F)c(F)c2F)c(OC)c1 1525829741 YJZOERBNCBTMCW-UHFFFAOYSA-N 445.231 4.726 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c1 1532021545 HYEDYHCCRYTASA-UHFFFAOYSA-N 441.354 4.686 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)cc1 1534003147 PKPXNHHZFONPNK-SQFISAMPSA-N 438.471 4.554 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1537985205 RVMWTHBQVJOXJJ-SANMLTNESA-N 441.616 4.804 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1539052925 KDOOUMIWPOAMSC-FCHUYYIVSA-N 449.624 4.966 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1539076669 UWPGXBYKFMCAGK-OAQYLSRUSA-N 434.613 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCSCC 1539306441 YFLVHYZWWVAEBD-UHFFFAOYSA-N 445.430 4.622 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1539774507 CHNJGOSIDTVFBR-VQIMIIECSA-N 434.943 4.705 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1539882342 XITVXAMFLFLHHF-FQEVSTJZSA-N 430.600 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1539915909 GKBGSRGDSPILPU-UHFFFAOYSA-N 427.637 4.909 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC(C)CC1 1540146941 GSAYLRLBVHMLOY-PZJWPPBQSA-N 429.634 4.504 30 10 IJEE C#CCN(C(=O)[C@H](C#N)CCc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1543686407 ZHOFGAQGRRZBAD-RXVVDRJESA-N 437.337 4.507 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1nc2ccccc2[nH]1)[C@H](C)CC 1544526651 HRPZFJUIYDRUQT-BVGQSLNGSA-N 434.968 4.802 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H]2c2ccc(I)cc2)cc1 1547460395 WORGULNRSNIMEP-FQEVSTJZSA-N 447.316 4.762 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 1561220653 DMJCKKFEDAKEQG-UHFFFAOYSA-N 440.446 4.954 30 10 IJEE N#CC1(CS(=O)(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)CCCCC1 1561568269 BGDXJCYQRKONEV-FQEVSTJZSA-N 439.606 4.974 30 10 IJEE C[C@@H](c1ccccc1Oc1cccc(Cl)c1)N(C)S(=O)(=O)c1cncc(C#N)c1 1561878806 CUJFKDLNEDGLFA-HNNXBMFYSA-N 427.913 4.781 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1 1564505790 LXPIEMNNCRNCGA-NHCUHLMSSA-N 429.923 4.981 30 10 IJEE C#C[C@H](NC(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C)c1ccccc1 1564997694 NPILKBBIFPBZGJ-VXKWHMMOSA-N 433.552 4.807 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 1570214614 QMSFSBGVQBIQJT-UHFFFAOYSA-N 445.357 4.680 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)cc1OC 1585527439 MEGWPTLYXAPAFK-YBEGLDIGSA-N 443.547 4.968 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1587657928 XLFOKQBQWCYELK-VSKRKVRLSA-N 446.643 4.566 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1587718582 IYFFZWJKHWERMI-NSHGMRRFSA-N 426.630 4.796 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]2CCC[C@H]21 1588985207 QHKWCXDGUMDDKS-NLWGTHIKSA-N 428.577 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CC(F)(F)F 1589176927 CMMUVHLUENNDTN-QGZVFWFLSA-N 427.268 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(CC)C1CCCC1 1589570356 UIUOPUVCJIVVPI-DVECYGJZSA-N 440.588 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(CC)C(C)C 1589580321 NOYPUDRLISQDMV-GCJKJVERSA-N 430.618 4.795 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1594248181 YCWOOYSPUWEKMS-JOCHJYFZSA-N 444.627 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1594511270 NGQCPCNXSNKXNC-LJQANCHMSA-N 429.634 4.956 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1594559139 FQEAZAZIBVGMFT-RTBURBONSA-N 434.588 4.794 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1594687214 IUTKZSGRGOCCOB-LJQANCHMSA-N 441.377 4.749 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCC[C@H]1C 1594885245 BUDRTMLSJNOZMF-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H](c1ccco1)N(C)C 1595099862 KBGBQNANZASUTI-JOCHJYFZSA-N 446.599 4.827 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1OC 1595149762 VDEHOPRVAZXOTN-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1595282852 KRHORJQYYMADLG-YADARESESA-N 446.039 4.748 30 10 IJEE C=CCn1ncc2ccc(NCc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)cc21 1621087430 LQSRMTHLTHKDHX-LJQANCHMSA-N 436.556 4.986 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC 1624133984 VWSLAYMSJXNJDE-MRXNPFEDSA-N 447.373 4.549 30 10 IJEE C[C@@H](Oc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1)c1ccccc1 1624793516 HXFAAAOVEMZYHB-LJQANCHMSA-N 429.495 4.800 30 10 IJEE CCc1nnc(CNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)s1 1625884401 IBHROMMPXBNIIK-UHFFFAOYSA-N 430.349 4.712 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1nccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1628229478 JESVAHIHYARIOE-LJQANCHMSA-N 443.592 4.801 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)cc1OC 1629221663 RIZYJTDKMVLJQU-UHFFFAOYSA-N 441.483 4.699 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(c4c(Cl)cccc4Cl)CC3)n[nH]2)c1C 1630372462 IOSAJXHTEGLDLF-UHFFFAOYSA-N 430.339 4.802 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 1630649895 KOIOEVURAKYYDH-MSOLQXFVSA-N 447.000 4.839 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1cccc(Cl)c1Cl 1635564123 FIIFNHJHDCESMM-OAHLLOKOSA-N 429.344 4.542 30 10 IJEE C#CCn1cc(CNC(=O)c2ccccc2SCc2ccc(Br)cc2)cn1 1635749248 HCGCKDORURRYKD-UHFFFAOYSA-N 440.366 4.501 30 10 IJEE CCNc1ccc(C#N)cc1NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 1636226395 DRHCKRPSQLJLFW-UHFFFAOYSA-N 448.548 4.660 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 1637449014 CCBCKCFFMKBQEJ-IBGZPJMESA-N 442.485 4.745 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)CN1C(=O)OC(C)(C)C 1637513966 HPIWPPMEPYPWCF-MSOLQXFVSA-N 435.524 4.820 30 10 IJEE CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1638216445 BFXIAUSBEPLVTF-IBGZPJMESA-N 438.524 4.704 30 10 IJEE C#CCN(C(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1647736356 IBFCRSPZYHPNJM-JOCHJYFZSA-N 431.536 4.532 30 10 IJEE Cn1c(O)nc2ccc(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cc21 1648862570 HREFTOOCQAYKFM-UHFFFAOYSA-N 435.299 4.821 30 10 IJEE COc1cccc(-n2ccnc2S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 1651679014 HJYUXFMSLUXRJW-IBGZPJMESA-N 434.565 4.925 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(Cl)c(C)c1 1653969067 IEXVTQRONGGBFX-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1658501327 DQXCSLYBWSVMJO-UHFFFAOYSA-N 448.592 4.989 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1 1660920514 IYTGDESDBNBEJX-UHFFFAOYSA-N 439.533 4.873 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1c(F)cc(Br)cc1F 1661003218 WASWXIURQMJGOI-UHFFFAOYSA-N 442.734 4.819 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 1661952275 VPOQMKNNZCOFHD-UHFFFAOYSA-N 440.908 4.933 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)C1 1665131306 NQGITJFQIBPQCQ-SFHVURJKSA-N 435.524 4.613 30 10 IJEE C=CCOc1cccc(NC(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c1 1666342750 MJXFWWUQJNHMEP-IBGZPJMESA-N 442.865 4.905 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1667222637 YWGSXFHDQVDKMA-CQSZACIVSA-N 438.450 4.934 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCCC)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1667496522 PXZXODDGWAGAOC-UHFFFAOYSA-N 449.979 4.995 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)Nc2ccc(F)cc2C#N)C1 1667628131 BUBHFTYVEABOPX-OXJNMPFZSA-N 430.524 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 1670349764 JCRUDCPUEAONOM-BBRMVZONSA-N 442.869 4.862 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2cc(C)ccc2C)CC1 1672708285 JNHLLUKCOBJWQT-UHFFFAOYSA-N 444.373 4.985 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 1673046117 LYBJMMBLNAYTBC-DNVCBOLYSA-N 449.979 4.990 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C)C(C)C 1675166317 YIXJMICAIWIKLC-SFHVURJKSA-N 428.455 4.742 30 10 IJEE C#CCN(C(=O)Nc1cc(C)cnc1OCC)[C@@H]1CCOc2ccc(Br)cc21 1678004452 RJQKNVFDGZUPLW-GOSISDBHSA-N 444.329 4.542 30 10 IJEE CCOc1ccc(Br)cc1CN(C(=O)Nc1ccc(OC)c(C#N)c1)C1CC1 1679986946 AVNYYCPTIQWCDD-UHFFFAOYSA-N 444.329 4.925 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(F)c(F)c1 1681551886 JDTKQRPPHBZNNJ-IRXDYDNUSA-N 445.457 4.526 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)c1ccc(Br)cc1 1682356263 DCTWRXZNXDNOKF-FQEVSTJZSA-N 426.358 4.565 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCCCc1ccc(Br)cc1OC 1685857496 KBWXDJQLVKMXBE-UHFFFAOYSA-N 435.337 4.927 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)c1ccc(F)c(F)c1 1686173818 PMTBTDFZKAFFKY-XZOQPEGZSA-N 431.527 4.971 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)CN1CCCC1 1689839915 PBPUHEOCOVQUQE-INIZCTEOSA-N 434.415 4.832 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1689880950 ADTFONLQYMVOFB-WOJBJXKFSA-N 428.964 4.558 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690088328 ISRCADDRXFOAFE-WOJBJXKFSA-N 449.574 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(C)nc1 1690194101 ZCWFSIHCCBWILH-QFQXNSOFSA-N 429.568 4.779 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([S@@](C)=O)CCC1 1690196367 ICNFGCNNDSLOSA-WBBHLRKXSA-N 438.641 4.536 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690380490 OZHYIAXJLACOIQ-GOTSBHOMSA-N 437.632 4.690 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2nccs2)CC1 1690492081 ODWDTTGXQCKMBJ-UHFFFAOYSA-N 434.569 4.535 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCSC1 1690555830 FSKKYVOQWNBQMI-RTWAWAEBSA-N 442.629 4.517 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@](C)(O)c1cccs1 1690558372 NFKCGLZZSLDJBG-KOSHJBKYSA-N 435.597 4.825 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CCCO1 1690558617 WMUHABSGEIEKQE-DEOSSOPVSA-N 448.958 4.627 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1nnc(CC)s1 1690567521 GSEPMZAQIGNADF-UHFFFAOYSA-N 436.610 4.585 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC=CCC1 1690593264 YXPOZQVKPQSENG-HXUWFJFHSA-N 444.583 4.600 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCSCC=C)C1 1690688553 XMMBRMXKVQIFAC-IBGZPJMESA-N 435.597 4.502 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCC1(F)F 1691001184 DVPKLJXGWQFUIG-MJGOQNOKSA-N 439.514 4.552 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N(CC(C)C)C(C)C)c(C)o1 1692957723 CFPAZTBFULYPSI-VWLOTQADSA-N 435.572 4.805 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCc1nccs1 1705527539 AWPGCHOHYCJLPI-UHFFFAOYSA-N 444.402 4.565 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1csc(C)n1 1705546498 KCYXRKPYHPRMHH-UHFFFAOYSA-N 427.986 4.890 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1cccs1 1705617106 NDBHUTNBTSNSDG-UHFFFAOYSA-N 428.989 4.821 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)Cc1cccs1 1705620119 MAVKSJSZFIKIDS-ICSRJNTNSA-N 438.572 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1C(C)C 1705705752 KZAZNYKIAQIJLE-RSEQLOHWSA-N 438.616 4.678 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1705728829 ZCEKFOOECVZACD-YTFSRNRJSA-N 438.616 4.958 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705777865 RMJQNYXTOHKRTA-RTBURBONSA-N 443.039 4.764 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1705808010 WRTIORPRFBBJLB-UHFFFAOYSA-N 442.567 4.540 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1CC 1705817211 FFYFJGIDFLLIDF-AQNXPRMDSA-N 431.625 4.984 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC(=C)c1ccccc1)C1CC1 1705852242 XRNMNGHGKAIOEN-UHFFFAOYSA-N 438.373 4.914 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 1705854947 ROURCNAJZRCBLZ-IBGZPJMESA-N 436.478 4.816 30 10 IJEE CC(C)(Cn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1)c1cccc(F)c1 1706196123 HVGIGLOAXWTIOP-UHFFFAOYSA-N 432.547 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cccs1 1722379133 FKSJWLAFAMEYTP-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1csc(C)n1 1722403734 CMPADGKIUONAOS-UHFFFAOYSA-N 447.564 4.584 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@](C)(CC)C1 1722464215 YJKXNUDNBOKBEX-JOCHJYFZSA-N 430.643 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(-n2ccnc2C)c(F)c1 1722473113 OWBQODJQJNVOLI-RUZDIDTESA-N 434.563 4.540 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)C/C(C)=C\c1ccccc1 1722488122 AVQPGNTVITUXCV-ATVHPVEESA-N 438.373 4.712 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)C)C1 1722488695 BYDJJQRHCPJEAF-OAHLLOKOSA-N 439.785 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722492081 DIXAUVNTBPCLHH-DSKINZAPSA-N 439.560 4.707 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 1722529445 SRMAOFXDWXWQEX-OAHLLOKOSA-N 426.895 4.510 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1722543885 AIGRFLKGYNTZQV-INIZCTEOSA-N 443.935 4.547 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1722600235 MPNIJPHOFXMVRG-LJQANCHMSA-N 425.625 4.696 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1722604580 FQBGNOUFZGRNAJ-GOSISDBHSA-N 445.011 4.736 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722632275 NDJPHCUJQHYODF-QDMKHBRRSA-N 437.357 4.673 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1722633186 DAIJPLFSVHJEMD-ITSWEJNFSA-N 430.980 4.899 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCOc1ncccc1Cl)C1CC1 1722652710 NELABNBYBMMFLG-UHFFFAOYSA-N 444.366 4.805 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCOC1CCCCCC1 1729492304 HVTQMKUCRVBALV-UHFFFAOYSA-N 435.494 4.945 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C(C)C)cs1 1740556520 IAYYTNXRKOKOEM-HNNXBMFYSA-N 429.977 4.597 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1740591804 WUOTWTKRAMXWEK-PMACEKPBSA-N 449.382 4.818 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC2(CCCCC2)O1 1740599457 AYGNDFTYVKDLIX-VXKWHMMOSA-N 436.600 4.986 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740666361 MHMYKIANPIMKMX-OFNKIYASSA-N 431.584 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCCN1CCC 1740730096 TTWICIHYKBGFMV-YADARESESA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1740733501 GQVGAUVWJLDITH-YMVVMYQSSA-N 436.600 4.609 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@@H](C)C1 1740753142 GDKZTCVUXRITBJ-GJYPPUQNSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)C1CCC(C)CC1 1740764085 ULANXCNPULBXGI-JSXIUCTPSA-N 438.616 4.896 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CCCCn1cc(Br)cn1 1740768748 CASZZQPQMVHZRM-UHFFFAOYSA-N 447.381 4.688 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1740840079 SEJZGFIRRCXKCC-UHFFFAOYSA-N 448.514 4.648 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1740846844 NZZBWEZASLGTFQ-LJQANCHMSA-N 442.604 4.960 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1C[C@@H](C)O[C@H](C)C1 1740904227 CKKBARPRIFTMHF-HUUCEWRRSA-N 439.387 4.990 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1Cc1ccccc1NC(=O)OC(C)(C)C)C1CC1 1740908829 MURWNFDGRSCKKX-UHFFFAOYSA-N 446.555 4.890 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC(F)(F)Br 1740919255 ZVDZDAHZULZYNO-UHFFFAOYSA-N 448.315 4.829 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCn1cc(C)cn1 1740925140 KCVRRHJRIFQYLQ-UHFFFAOYSA-N 441.583 4.736 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(F)F 1740968141 CVTCSFBQWBAGEX-UHFFFAOYSA-N 433.890 4.698 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(c2ccnn2C)CC1 1740999322 DVNJPZVBTDAWSZ-UHFFFAOYSA-N 443.020 4.635 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1 1741516827 HOTYOBPGXUHFRO-UHFFFAOYSA-N 441.377 4.850 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(OC(C)(C)C)nc1 1741797962 DFRZCNFAGPWKBC-INIZCTEOSA-N 438.963 4.957 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(CCOC)CCC1 1748687585 MMCLLHSZZADXRX-QGZVFWFLSA-N 433.021 4.889 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC)[C@H](C)C1 1748731547 GFBSSKQXFIGJFO-UXHICEINSA-N 444.023 4.632 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCO[C@H]1CCCC[C@@H]1C 1748775295 IFEIYQQJYAWOJO-BJLQDIEVSA-N 426.630 4.796 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ccsc1 1749109238 GEGGJLBZIAMZPE-UHFFFAOYSA-N 442.386 4.888 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCO[C@H]1C(C)C 1749149167 UPOCHRCYBCVZOH-CVDCTZTESA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccsc2)CC1 1749367428 VNMQCPVLFODGBZ-HXUWFJFHSA-N 429.634 4.506 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1749397042 OBVIBNROPRGJJV-UHFFFAOYSA-N 434.588 4.525 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(=O)N[C@@H](C)CC 1749474459 VLQZLMSLJCJNOW-INIZCTEOSA-N 441.576 4.740 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCC[C@H]1CCCCO1 1749545095 SCUPSEJSIINKSJ-IFMALSPDSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1ccc(F)cc1 1749554793 ZPVUGWGTEOSRQO-IEBWSBKVSA-N 426.561 4.979 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc(C(C)C)cs1 1749594316 KGRDWSBOUAXKAS-UHFFFAOYSA-N 431.993 4.866 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)cn1 1752311798 GPDYPZCYDZUBPG-LJQANCHMSA-N 444.583 4.920 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760140014 WVJSPYCDPOALTP-HSZRJFAPSA-N 449.624 4.982 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1760247783 PAOLETDVXJTKRX-WGSAOQKQSA-N 435.959 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)ccc(F)c2C1 1760415452 ZHFTWZDKOXEHPX-UHFFFAOYSA-N 440.542 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C)C1 1760416116 VCIXUHWXGXAWAU-ROUUACIJSA-N 430.618 4.795 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCSC1 1760698152 CSYHYSIRTGRBAS-ZIAGYGMSSA-N 440.400 4.513 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2Br)C[C@H]1C 1763089080 FAZILOKLXJXDIU-ZIAGYGMSSA-N 442.386 4.781 30 10 IJEE CCCN(CCC)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1764352708 DFYAJNICLGWJPT-PMACEKPBSA-N 440.661 4.659 30 10 IJEE CO[C@](C)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1)C1CC1 1767987853 FFGHSANTKJQIHO-JOCHJYFZSA-N 441.988 4.983 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1Cc1nc(C(C)(C)C)cs1 1772523159 QSTWCOAYFZAYFU-XMMPIXPASA-N 435.597 4.748 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1OCC(=O)Nc1cc(Cl)ccc1Cl 1858809593 KUJRKYKWMHJWMT-UHFFFAOYSA-N 435.311 4.612 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861194694 RFWNDHOMPUMTBF-VWNXMTODSA-N 447.639 4.799 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccccc2Br)c1 1862496248 GJVAESLZDXLZKP-IBGZPJMESA-N 426.310 4.807 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(OCC)c1 1862639723 FXTFFHAFQBJXJW-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC)c1 1862653869 UFFBQTXCXWZETQ-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862661383 ATWBLAZOIBSXPE-XMMPIXPASA-N 443.547 4.917 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 1862676702 PERSUFAULMRTQJ-IBGZPJMESA-N 438.436 4.574 30 10 IJEE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccc(F)cc2)n1 1868463065 IZHGEKDHUGJJFT-HNNXBMFYSA-N 425.471 4.745 30 10 IJEE CCCCCCCCn1cc(OC)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870555271 XJWCRLMSRZJPCP-UHFFFAOYSA-N 441.616 4.548 30 10 IJEE CCOCCOc1cc(C)c2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871345061 PVXCUASUDBMLMP-ODLFYWEKSA-N 433.298 4.798 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O)C(=O)Nc1ccc(F)cc1 1871400965 QGEQCNNZOKNZLA-SGMWPGOQSA-N 446.478 4.914 30 10 IJEE Cc1cc(OCCN2CCOCC2)cc2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871448924 BPBHCQGGZYXJST-ITYLOYPMSA-N 441.527 4.989 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666482 FSUAXMCDSWXGON-BGYRXZFFSA-N 440.636 4.722 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)CC 1872203164 JVVKKKYZSZJLKE-HSZRJFAPSA-N 428.598 4.853 30 10 IJEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1[N+](=O)[O-] 1872777415 NDXHXNDZPOCOEL-HNNXBMFYSA-N 431.477 4.756 30 10 IJEE Cc1c(CCC(=O)Nc2ccccc2OCC(C)C)c(=O)n2c([nH]c3ccccc32)c1C#N 1873959252 BIKGPYFQRCPFQL-UHFFFAOYSA-N 442.519 4.567 30 10 IJEE CCCSc1nnc(COc2ccccc2OC)n1/N=C/c1cc(Cl)ccc1O 1874289956 GYUUXVHKGOORBQ-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccco2)o1 1874407610 GTMYUKZMAZSMDS-LPYMAVHISA-N 428.514 4.548 30 10 IJEE OCCCSc1nnc(Cc2cccs2)n1/N=C/c1c(Cl)cccc1Cl 1874414321 MNJNWILUHIILLC-RGVLZGJSSA-N 427.382 4.594 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2[C@H]2CCCO2)cc1 1874443668 HXIILUIHSPQEET-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE C=CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874449025 QWEFNQHAABZJOS-KMYAOZERSA-N 430.574 4.868 30 10 IJEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 1874620726 PTNQBPRUIIODLU-CWIMXHLESA-N 443.499 4.610 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OCC(=O)N(CC)CC 1874637458 ALBNSDIGFLSUMH-ZRDIBKRKSA-N 439.552 4.854 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1cccc([N+](=O)[O-])c1 1875087986 LNGNCMAIPCXXLV-GQCTYLIASA-N 444.159 4.721 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1 1875114423 SWSDJBIOVPSNRJ-VZUCSPMQSA-N 448.387 4.627 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2)c1 1875143838 SZPLQPZWVOAGOP-JLHYYAGUSA-N 432.472 4.893 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)ccc21 1890724900 UQAVADVBSKXVQK-UHFFFAOYSA-N 448.441 4.704 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CCCSc3ccc(Cl)cc3)C2)c1 1891216258 SKBSUSKLKRSWEO-SFHVURJKSA-N 429.973 4.797 30 10 IJEE CN(CC1CCN(C(=O)c2c(F)c(F)cc(F)c2F)CC1)c1ccc(C(F)(F)F)cn1 1891827275 ZYRYYMLLCMCCBC-UHFFFAOYSA-N 449.370 4.645 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(F)c(Br)cc2F)C1 1895028825 FUMZHIUJZWIKBG-INIZCTEOSA-N 431.321 4.849 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 1962794039 KZMCHLXXWPWLQB-HXUWFJFHSA-N 443.341 4.577 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1C 2079004925 FLUILBCXRYCOJK-NPNVKNKFSA-N 425.314 4.819 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)cc1F 2079102429 PJYQCBFAYRKZMC-JDYBYSMLSA-N 441.288 4.866 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2163694136 KAMUENBKGRNRAH-UTKZUKDTSA-N 428.349 4.951 30 10 IJEE CN(C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)c1cccc(C#N)c1 2181048337 RVTOEXGXAXDKFQ-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC1(C)C[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2181106365 VMVQXPRMHPTNGS-CQSZACIVSA-N 436.350 4.542 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190479674 VHMCEWMVILCBKB-TWDDROGUSA-N 448.416 4.509 30 10 IJEE CC1CCC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)cc2C#N)CC1 2194370790 WBLZHZRAWOJJNZ-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](Oc3cc(Br)cnc3C#N)C[C@@H]2C1 2204111987 BDJFEFUSPHZPMO-SQWLQELKSA-N 436.350 4.520 30 10 IJEE CN[C@H](C#Cc1ccc(Cl)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2216975121 VCYSJVHAYDKFTC-YSZBQJHXSA-N 442.987 4.778 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@H](N)C#Cc3ccccc3Br)cc2C1 2235747828 TXHGLEGNDONBGL-HXUWFJFHSA-N 427.342 4.751 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F 2238185815 UGFDUHIDKKPLGE-QRWLVFNGSA-N 445.348 4.575 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#Cc1ccccc1Cl 2245950434 JDLGQGBRNCNRSX-BULFRSBZSA-N 428.960 4.517 30 10 IJEE N[C@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)c(I)c1 2278770561 FLTGCBSVLZVKAO-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](N)(C#Cc1ccc(Br)cc1)C2 2296228282 XOECPYHTBQXQKW-JOCHJYFZSA-N 433.390 4.699 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@@H]21 2296309106 QMYVDKJVJBHICX-ITBLURSFSA-N 433.390 4.602 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Cl)c2)cc1 2296766396 JBSLRUBJWYHTCM-GOSISDBHSA-N 440.908 4.822 30 10 IJEE CCN(CC)Cc1c(O)ccc2c1OC(=Cc1cc(Br)ccc1OC)C2=O 2296778316 JGPLJNQJINRBGQ-UHFFFAOYSA-N 432.314 4.621 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2297745378 ABQSDRXJEHYBAK-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2307553740 NNVIQAIPEVNYLE-PXTBKIQTSA-N 428.573 4.601 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317345759 YPFIFSHPZGZSPP-QZTJIDSGSA-N 430.354 4.551 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)c(OC)c1 2323222928 INFKNAZFFWTFSW-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323310657 CITNUDLWPACVOY-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)c1 2323494390 GOPMYOZPIQWVGP-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1 2324077637 UURYMBLHBVRDIZ-UHFFFAOYSA-N 443.499 4.735 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1OC 2324372112 BZINNQXYGPHYJP-KRWDZBQOSA-N 435.461 4.625 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(OC)c(OC)c1)C2=O 2325079529 OWHOVGHUDMGXIS-SFHVURJKSA-N 440.492 4.739 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccc(F)cc1 2325721151 WIQPDTLRRVRZEX-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE COc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cc(C)ccc2OC)c1 2325743519 VJIQEUZLHJFFKT-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)C3CCC3)c2)cc1Cl 2325759350 GMKUVJFXFZOSQX-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327674380 NUECYJTVGSFJGB-UHFFFAOYSA-N 447.904 4.509 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2327975003 MSQPZDWEGWRQSP-UHFFFAOYSA-N 440.956 4.648 30 10 IJEE CCCOc1ccccc1C=Nn1c(Cc2ccc(C)c(C)c2)nnc1SCCCO 2329447514 BDQFTRYBANUEAI-UHFFFAOYSA-N 438.597 4.631 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C1CC1 2330996165 VLYCZHIBVSGBIF-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccccc3)nnc2C(F)(F)F)cc1OC 2331136307 ANRZLYAQEFRPJK-UHFFFAOYSA-N 436.459 4.879 30 10 IJEE COCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(C)C)cc1 2331563884 QZXDFUWVGMWREO-UHFFFAOYSA-N 425.514 4.631 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cnc(C)cn1 2331630084 GVAQORLOJJZKBF-UHFFFAOYSA-N 446.503 4.924 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2cccc(Cl)c2)o1 2331695804 CWYJUMHSWUSYQQ-UHFFFAOYSA-N 432.933 4.999 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2Cc2ccc(C)cc2)c2ccccc2)cc1 2332148824 JXMLCHNSDQAFCN-UHFFFAOYSA-N 449.514 4.694 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1 2332187095 ATCUJEXIYZFCLX-UHFFFAOYSA-N 446.942 4.681 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)n1 2337021192 AEYJGJVEOHKUOM-GGAORHGYSA-N 436.405 4.509 30 10 IJEE C=CCN(CC[C@H](NCC)c1cc(Br)ccc1OC)C(=O)OC(C)(C)C 2339201279 XCEVPRMGFCLJQW-KRWDZBQOSA-N 427.383 4.922 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339543759 WCZNXHRQPKLZBK-RBUKOAKNSA-N 443.397 4.974 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2339602713 OMWITFVQINNKTJ-RRRIULDXSA-N 442.365 4.505 30 10 IJEE Cc1cc(CNC[C@H]2CCCCN(Cc3ccccc3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676910 FAVGSHVZKVXSMM-XMMPIXPASA-N 448.460 4.686 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1ccc(Cl)s1 22829391 OQYZGVDTTLUQBK-HNNXBMFYSA-N 427.776 4.683 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)NC[C@@H]2CCCO2)cc1 23602982 AIMWAKHOCLIOIO-FQEVSTJZSA-O 428.622 4.530 30 10 IJEE Cc1ccc(N2CCN(/N=C/C3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)CC2)cc1 32690939 AOUPAYSHMQFYPR-AUBAUAEISA-N 442.607 4.567 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 34954356 JRTBFFVMAOYYNG-ZSOIEALJSA-N 433.416 4.727 30 10 IJEE Cc1c(C(=O)COc2ccc(C(C)C)cc2)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38623285 SKEKIJAGRUASHL-GOSISDBHSA-N 430.504 4.728 30 10 IJEE Cc1ccc(/N=C2\NC(=O)/C(=C\c3cc(O)c(O)c(Br)c3)S2)cc1Cl 96835968 AOQSPDOTDVANGV-MKMNVTDBSA-N 439.718 4.714 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(F)cc1 100263821 XZBOGSFLDBKHMZ-ACNSNUFOSA-N 426.300 4.723 30 10 IJEE O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Br)cc2)/C1=C(/O)c1ccccc1 103113690 DIDIEVUXBIJBPG-CFBLSMTOSA-N 441.306 4.532 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170044009 NSBQCXOTOMHSQP-NRFANRHFSA-N 441.911 4.965 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C(=O)O)cc3)[C@@H]2c2ccccc2)cc1 170051156 GKOFBOTYXIFZRR-HSZRJFAPSA-N 441.483 4.726 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccc(C)o2)cc1 170100626 RZKQKUMXAGCGLM-JOCHJYFZSA-N 431.444 4.662 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccc(C)c1 170139605 WRKXOGMTUHWYNY-FQEVSTJZSA-N 425.868 4.619 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OC(C)C)cc1 170152517 HQQPFZTZASUIFN-MWTRTKDXSA-N 435.520 4.786 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)cc1Cl 170157280 CAMUKAKMYXOKSZ-LJQANCHMSA-N 441.892 4.899 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccncc1 170200457 HIASGSCEWQJZST-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1 170230753 BELMALQICMHESF-HSZRJFAPSA-N 428.488 4.649 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1OC 170271116 JHLBGEHSJNAFNU-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)c(OC)c1 170286567 WKPYPTDONKPBNC-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)c1 170291973 ZGBCWFOEVVLECQ-LJQANCHMSA-N 427.840 4.703 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170412618 LKONCNPYVINBIJ-QFIPXVFZSA-N 448.544 4.601 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCC(=O)c2ccc(F)cc2)nc2c(C)cccc12 170509420 DXPSYGBZGZXHPU-UHFFFAOYSA-N 441.466 4.650 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 216530959 VQGUSHLUBVIEHO-UHFFFAOYSA-N 445.504 4.732 30 10 IJEE CCc1nnc(NS(=O)(=O)c2ccc(N=Cc3c(O)ccc4ccccc34)cc2)s1 254842064 WWTRZVXDNLSFQH-UHFFFAOYSA-N 438.534 4.511 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 382635386 BFTSGWVSTAYIBU-KRWDZBQOSA-N 430.398 4.619 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@]2(CCCOC2)C1 460804771 OTEYPBWSRFMHIY-DEOSSOPVSA-N 435.597 4.960 30 10 IJEE C=CCN(C(=O)c1cccc2c1CC(=O)CC2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 463100373 VHFYYRGPLSJOFZ-UHFFFAOYSA-N 433.489 4.609 30 10 IJEE C[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488759257 BMHFINVIXRAGIP-SNVBAGLBSA-N 430.942 4.931 30 10 IJEE CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(F)cc1 489681042 CQHOMTMZPIDRLK-LBPRGKRZSA-N 441.557 4.645 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCOc2c(Br)cccc21 507815513 RDSYCWHQXVEVQE-IBGZPJMESA-N 426.314 4.542 30 10 IJEE COc1cc(C(=O)N2CCC(C)(C#N)CC2)ccc1OCc1ccc(Br)cc1 507827937 HDXNPSYJHRVEFZ-UHFFFAOYSA-N 443.341 4.803 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 581991360 UCOKAYMYTUSTDC-MRXNPFEDSA-N 436.387 4.569 30 10 IJEE Cc1ccc(CCCC(=O)N[C@@H]2CCN[C@@H](C(=O)/C=C/c3ccc(C(C)C)cc3)C2)cc1 585841218 SDINIBFWLNPNRU-MOMNZIIGSA-N 432.608 4.960 30 10 IJEE COc1ccccc1CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1Cl 586173317 AOWXAFBGNAUZDV-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE C=CCN(c1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 586206171 INSVBAHLLDSQGR-UHFFFAOYSA-N 435.387 4.821 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(OC(F)(F)F)cc1 727628818 ZEBVLZYQSPBKKL-IBGZPJMESA-N 432.442 4.990 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 741533369 BHDQLDSLEGWZDS-ZWKOTPCHSA-N 436.512 4.768 30 10 IJEE Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(F)c(Cl)c1)=C(/O)c1ccc(C#N)cc1 762445685 WVMPNTJSYQFOMY-UHFFFAOYSA-O 440.907 4.976 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 763765128 WMCOVHQHOIDTAA-LZYBPNLTSA-N 431.805 4.685 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)c1c(Br)cccc1Br 798471341 KTJXWDPNVUSAPS-UHFFFAOYSA-N 428.055 4.505 30 10 IJEE C#C[C@@H](N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N)C(C)(C)C 807935702 TXCNTOZEUQEMCZ-NHCUHLMSSA-N 444.560 4.566 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(Cl)cc1 811948693 GYCGMOSZQUFZOX-HSZRJFAPSA-N 437.948 4.727 30 10 IJEE CO[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)C1 1116748875 RWQJKCKUTHHDIY-PWRODBHTSA-N 437.565 4.523 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(Cl)c(Br)cc2OC)c1 1126253065 GANPLRPMCIYUHN-CYBMUJFWSA-N 437.721 4.722 30 10 IJEE C#CC[C@]1(C(=O)N2CC=C(c3ccccc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1127320755 OEWWDRLYUYLFSM-XMMPIXPASA-N 428.960 4.749 30 10 IJEE N#CCC[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccccc1 1127381748 FMGLIZGDXXZNOJ-IBGZPJMESA-N 431.496 4.910 30 10 IJEE C#CCCOc1ccc(C(=O)O[C@H](C)c2ccc(F)c(I)c2)cc1 1128895935 YIIGKGMYZMIORK-CYBMUJFWSA-N 438.236 4.750 30 10 IJEE C=C[C@@H](OC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1)c1ccccc1 1131134954 RUOFTMGBLJUTLI-JOCHJYFZSA-N 429.476 4.581 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@]3(C)Cc3ccc(F)c(F)c3)n[nH]2)c1C 1152158284 QBEAYJSMMAAIDC-DEOSSOPVSA-N 439.510 4.592 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc4n3CCN(C(=O)OC(C)(C)C)[C@H]4C)cc21 1157639968 MPJWQPVZGJVHRU-INIZCTEOSA-N 435.528 4.588 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 1161335461 GYGUWJPRRVMXPY-UHFFFAOYSA-N 439.313 4.929 30 10 IJEE Cc1nn(C)c(C)c1CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1219256194 HXMAWOCDHLOEJX-UHFFFAOYSA-N 426.336 4.648 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(C(=O)NC)cc1OC)c1ccc(C(F)(F)F)cc1 1219535068 BXKRNBPGFXBNTQ-KRWDZBQOSA-N 435.446 4.903 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 1224476498 AJJBNGYGQZLYOM-YESZJQIVSA-N 440.401 4.652 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 1228011053 RTFCKLZHVCQIGX-NRFANRHFSA-N 440.385 4.515 30 10 IJEE CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1233981447 GOEMEAOJAGUZMZ-XYHYBEPMSA-N 432.568 4.717 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2ccc(Cl)cc2)nn1C 1263291469 XNPWHPFYYWGWFB-LJQANCHMSA-N 434.927 4.826 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1csc(-c2ccco2)n1 1286281272 GLGDSBBIUCOKHF-ZDUSSCGKSA-N 441.919 4.960 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCc1nc(C(C)(C)C)cs1 1286302697 NULNPHHWZFPALE-GOSISDBHSA-N 446.624 4.736 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(C)C)C1 1286317333 LBXJPJDFAGXUOG-LJQANCHMSA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCOC1 1286317857 PRMQLDDSRFWBPX-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(C(F)(F)F)CC1 1286565479 PHXKDIQEWWBMDF-PXNSSMCTSA-N 426.527 4.771 30 10 IJEE C=C(Cn1c(N(C)Cc2ccc(C)o2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1286618452 BNVMXFQHFHCYGM-VWLOTQADSA-N 436.556 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1286670274 FWPBNVLBEZBLCC-UHFFFAOYSA-N 448.546 4.576 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1286682044 BFTAAQRHBQYXHL-UHFFFAOYSA-N 446.530 4.755 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(F)cc2C1 1286693342 ZXCAZVUKCSXREP-UHFFFAOYSA-N 430.325 4.704 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1cccs1)N1CCCC1 1286729513 WRIFRUMVMYTLQN-SVFBPWRDSA-N 443.661 4.718 30 10 IJEE C=CCN(c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1286733200 TZXXVELINWBOJD-QGZVFWFLSA-N 448.571 4.561 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1286735657 IPADJZJHJXJJAK-UHFFFAOYSA-N 449.502 4.556 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)C1 1286808456 WODJLWBPIWNJFS-UGKGYDQZSA-N 433.021 4.589 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H]1CCO[C@H](C)C1 1286960021 BWUXGGONXPYDKO-MANSERQUSA-N 441.645 4.932 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCc3cc(Br)ccc32)cc1OC 1288391714 DGAMBFPMWUYCAO-SWRMPZFOSA-N 428.326 4.839 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(CC)CC)nc1 1293259504 FXLCEJPSYNJZDK-WMZHIEFXSA-N 443.599 4.731 30 10 IJEE CCOc1cccc(Cn2c(C3CCC3)nnc2N2CCC(CC#N)CC2)c1OC(F)F 1296827624 DVABHMOZPKSPRX-UHFFFAOYSA-N 445.514 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)C1CCCCC1 1300284929 VWKCMQJTIUOWKO-OALUTQOASA-N 439.673 4.854 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1300351942 CYVUFHQWVXSDMA-PMACEKPBSA-N 440.613 4.630 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 1300376829 OTGQXTPLMSOWLV-UFYCRDLUSA-N 429.609 4.636 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)c1cccs1 1300512685 SCAMDCAOSHIOOK-SFHVURJKSA-N 436.556 4.669 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1nc(C(F)(F)F)cs1 1300648153 LGVKBSUPQOWDFY-UHFFFAOYSA-N 449.477 4.848 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)CC(C)(C)C1 1300751870 UZAQUGACZCALJC-INIZCTEOSA-N 447.446 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C 1300876029 PIDZUQKZLVMOCL-ICSRJNTNSA-N 432.996 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCCc1ccccn1 1300879344 CPRDTBLLCBTMAQ-CVDCTZTESA-N 435.547 4.529 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCCCCCC1 1300896529 GOYSZCPRFASSIK-RDPSFJRHSA-N 440.588 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CCc1sc(C)nc1C 1300919169 XMLBXNYNBOWPOB-UHFFFAOYSA-N 425.602 4.596 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1300930349 AMJIQHMVOBXFHP-HNNXBMFYSA-N 444.377 4.775 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CCOC)CCCCC2)CC1 1301073217 YFDMMPPGFXXAEY-UHFFFAOYSA-N 439.560 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)CC1 1301138665 BXNPUGZXSMEJHW-UHFFFAOYSA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301155703 RZSRQONJZFFJCM-NHCUHLMSSA-N 439.648 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1301280805 WEBONDVYKOVQEG-FQEVSTJZSA-N 425.577 4.529 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccccc1 1301359196 GSRXJWJKXWLZIO-DEOSSOPVSA-N 431.565 4.502 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(Cc1ccco1)C(C)C 1301458876 HTNUSRFLLLPHRJ-UHFFFAOYSA-N 429.565 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCCS2)C1 1301538812 KYQFXMNHGFDIAR-PWRODBHTSA-N 442.629 4.712 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1301594331 AWBLGLCPVOLOEO-QUCCMNQESA-N 444.645 4.958 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 1307512122 AGLZULUJVSTREO-KNQAVFIVSA-N 444.362 4.904 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)CCOCC1 1310987913 RMFSAIWEOYSZLV-UHFFFAOYSA-N 436.434 4.971 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)[C@@H]1CCCc2ccccc21 1312744122 AUBOHAXREQOIRG-QTLGCAHFSA-N 447.554 4.600 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1)C1CCOCC1 1313043711 UIHIELQEZBYXGX-QFIPXVFZSA-N 442.556 4.910 30 10 IJEE O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)nc1O 1318341389 SJSBNZLMELPTSY-GORDUTHDSA-N 425.256 4.905 30 10 IJEE C=CCN(C(=O)c1nnn(C(C)(C)C)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1351303457 YCURIYHMRYJQEM-UHFFFAOYSA-N 437.356 4.691 30 10 IJEE CO[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(Cl)cc1 1354414717 FKZZPQGPIKQZAL-NRFANRHFSA-N 446.378 4.975 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1357289338 KDEMQXQIZVCETK-MRXNPFEDSA-N 438.366 4.982 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)CN1CCCCC1 1358878689 BJSYDNCDUKDESM-IAGOWNOFSA-N 434.415 4.832 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2OCCC[C@H]2C1 1358909147 VRLXMKKOWSGVGG-FXAWDEMLSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1358921036 NEYSDSPMZWOZFU-QFIPXVFZSA-N 436.991 4.925 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC(F)(F)C1 1359020651 LLYVCIKXRYFVAL-AWEZNQCLSA-N 443.325 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1359101300 MTTHOLDIGBXDPU-YZBYQZESSA-N 445.007 4.507 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCc2c(C)noc2C)CC1 1359168942 OCUZJVUZGBZLMC-UHFFFAOYSA-N 439.585 4.583 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N2CCCCCC2)CC1 1359174482 FBUFWISNOPSCLV-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)c2nccs2)CC1 1359175874 DEIXSWBMNHQIPU-INIZCTEOSA-N 439.585 4.625 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CO)CC1 1359183132 DIJCNFNFUTYFJK-QGZVFWFLSA-N 432.996 4.883 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359183944 YGBWDLFFMLCQCX-XZOQPEGZSA-N 448.615 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)c1nccs1 1359190655 XTNPQLQUAKOKOW-HNNXBMFYSA-N 430.647 4.933 30 10 IJEE C=CC[C@@H](Cn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1C(C)(C)C)c1ccccc1 1359195426 MKWJEABUMNBVHE-HFZDXXHNSA-N 438.616 4.710 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCCOC1 1359223480 MGIUJYWBFFKBBS-RBUKOAKNSA-N 444.645 4.587 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H](C)c1nccs1 1359259045 KOBSFZPNJGUFJE-LJQANCHMSA-N 430.581 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@H]1CSCCS1 1359276483 DULVEGFZKWKTHW-FQEVSTJZSA-N 426.611 4.622 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCc1ccc(F)cc1C 1359276533 HBHOBPRIMNEZNU-UHFFFAOYSA-N 433.531 4.802 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](CC)C1 1359336896 FFDYJFHDAVDKEZ-DLBZAZTESA-N 436.622 4.808 30 10 IJEE C=CCCC[C@H](C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1436082879 NAEWBBQASFQTNK-LEWJYISDSA-N 441.369 4.811 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1436651923 UZEIIPGSNLYOOT-BLLLJJGKSA-N 426.232 4.726 30 10 IJEE Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1437068089 BYXYFEMRBCPJHX-UHFFFAOYSA-N 425.348 4.898 30 10 IJEE CCc1ccccc1O[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccccc1 1440678295 CHBHCOUOZDFRLT-AHKZPQOWSA-N 439.559 4.778 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2ccccn2)c1 1445040171 UXQMUDXIMKRWPY-LJQANCHMSA-N 431.920 4.635 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)c1ccccc1 1454298313 KUPPBBJMGFLVGF-YLJYHZDGSA-N 443.385 4.956 30 10 IJEE C#CCOc1cccc(OC(=O)CCCCc2ccc(I)cc2)c1 1456137654 XHDRJGXMCYFUFI-UHFFFAOYSA-N 434.273 4.622 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(S(=O)(=O)C(F)F)c3)c2)cc1 1456160596 AZTKXSGDIFOAFB-UHFFFAOYSA-N 428.416 4.599 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1OC 1458212892 YCJASCXQMWTGFZ-MFUYTVRRSA-N 427.369 4.971 30 10 IJEE C=C(C)Cn1c(SCc2ccnc(NC(=O)OC(C)(C)C)c2)nnc1-c1ccncc1 1458993936 JMRUUKMFDATZDD-UHFFFAOYSA-N 438.557 4.951 30 10 IJEE C=CCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1cc(Br)ccc1F 1459413443 DNLJAPGKENWUJH-UHFFFAOYSA-N 447.264 4.735 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H]1CCCN(c2cccc(F)c2)C1=O 1459413861 GLVCIFYCDXNWOT-FQEVSTJZSA-N 435.312 4.911 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)CCCc3ccc4c(c3)OCCCO4)cc2)ccn1 1460636175 BKQWODBAKAXCKK-UHFFFAOYSA-N 429.476 4.868 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 1461046554 NXCXBYWDHSRYOW-BAKRCQRISA-N 434.561 4.943 30 10 IJEE C=CCC1(O)CCN(Cc2c(Br)cc(F)c(F)c2N2CCCCC2)CC1 1462598582 VFGCFVPDLJXBBB-UHFFFAOYSA-N 429.349 4.621 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1463273327 VDUNMNAZSAXAEK-WENCNXQZSA-N 428.554 4.882 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 1464221584 YFSQJRYFDONROM-IBGZPJMESA-N 444.963 4.930 30 10 IJEE CC(C)N1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 1464289116 BSLZNKHDOHVHCF-INIZCTEOSA-N 436.503 4.683 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)C1=O 1465009028 WMXXQHHUHLCWMV-FQEVSTJZSA-N 443.931 4.782 30 10 IJEE C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)cc1 1468307416 HATHEANUQRXBMU-QGZVFWFLSA-N 434.540 4.806 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 1470238064 YPIRFQARVCACGS-RTWAWAEBSA-N 446.016 4.629 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)COc1cccc(OC(F)(F)F)c1Br 1473067809 HLIHRYPNBYPNLR-UHFFFAOYSA-N 449.610 4.890 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1nc2c(OC)cc(Br)cc2s1 1477197196 CNJPNYZQPANZKQ-UHFFFAOYSA-N 430.327 4.735 30 10 IJEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC(C)(C)C)cc1 1504309456 HCJVRQKUXRCPPY-XMMPIXPASA-N 425.577 4.822 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1507557141 SWKHWQYXFULNBX-UHFFFAOYSA-N 444.505 4.700 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1507595380 PAEMWDMTBOUBHH-HXUWFJFHSA-N 435.597 4.728 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCCN1CCC 1507604560 KZPFBFPYBMXUHL-OAQYLSRUSA-N 448.640 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCc1nccs1 1507679102 GOVHRQWPUGXFDI-MRXNPFEDSA-N 429.977 4.620 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cnn(CC)c1 1507805321 MPBJIZLHKNODKQ-VXNXHJTFSA-N 448.615 4.654 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1507840222 YEVBHEWKOLFBRK-NLWGTHIKSA-N 444.645 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1507916954 IJTMPXGOKIOGPZ-UHFFFAOYSA-N 430.666 4.519 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)[C@@H](C)C1)C(C)C 1508012349 CMRYJWAKFCMJDO-AWRGLXIESA-N 436.648 4.829 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1508018167 PJGXJPMARVEEFD-QPPBQGQZSA-N 446.599 4.760 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1508124342 OUTIOQPGINSYAX-ZSYWTGECSA-N 442.526 4.670 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1512171138 BDPJYFVIMMBQNG-OFNKIYASSA-N 434.632 4.952 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](CC(C)C)N(C)C 1513217097 CWFWZUQBHRREOW-BJKOFHAPSA-N 436.648 4.926 30 10 IJEE C=CCSCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 1515135642 UJXZIZWDBBCMAK-ISKFKSNPSA-N 438.593 4.523 30 10 IJEE Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1519890822 DUNOQNRZBFZMDO-LJQANCHMSA-N 430.895 4.574 30 10 IJEE C#C[C@H](NC(=O)C(F)(F)c1cc(Cl)ccc1OC)c1ccc(Br)cc1 1528088737 PPDYVQLANGNPTA-HNNXBMFYSA-N 428.660 4.694 30 10 IJEE CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[C@@H](CC#N)c1ccccc1 1533447110 HQAQFIXWFNXAIR-XLIONFOSSA-N 433.335 4.671 30 10 IJEE C#CCCCCC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I 1536670575 YOZMOUUESUTALC-HXUWFJFHSA-N 435.280 4.830 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(Br)cs1 1539068258 RXSGHTXTXCCTBK-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H]1CC 1539391794 ICEWTPSURHABIU-XZOQPEGZSA-N 448.590 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC(F)(F)C1 1539541084 YBZULPOFGMHHAA-QVKFZJNVSA-N 436.453 4.974 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1539566743 PJEVWZKCPXOXDS-YMVVMYQSSA-N 436.600 4.609 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1539854321 DAMZSCIQDZIYJF-UHFFFAOYSA-N 427.474 4.796 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(O)CCC2)CC1 1539882639 RXKSSBOPOGWXEK-UHFFFAOYSA-N 449.368 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCN(C)C(C)C)CC1 1539884239 FXFMSTAZXHEMGO-UHFFFAOYSA-N 434.588 4.733 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCC)CC1 1539892213 VLUNQTHUZNMYIV-UHFFFAOYSA-N 437.975 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1O 1539906985 VEXDRXLLLSXGGZ-UHFFFAOYSA-N 444.377 4.980 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCC1(C)C 1540139801 MPPGGGPXUVZGLH-HXUWFJFHSA-N 439.579 4.559 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)Cc1cccs1 1547547835 BLDIRBYXYHYBDG-WIYYLYMNSA-N 435.597 4.762 30 10 IJEE C=CCCCCNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1556312391 OTZOIYRQADAPLG-FQEVSTJZSA-N 425.367 4.662 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C(F)F)CC1 1556347468 DTAPYDNLXPOPJI-OAQYLSRUSA-N 440.490 4.774 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c3cccnc23)nnc1-c1ccc(OC)cc1 1559321169 GOVAOKAMFBNEJP-UHFFFAOYSA-N 446.532 4.767 30 10 IJEE C#CC1CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 1559938465 ITANSPRVVMJHMP-UHFFFAOYSA-N 429.383 4.884 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(CC)Cc2cc(F)ccc2Oc2ccc(Cl)cc2)C1 1565346457 PZGCZBINWKEMSF-NRFANRHFSA-N 443.950 4.901 30 10 IJEE C=CCCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1583542583 CABJKPDQXWMVDS-DEOSSOPVSA-N 440.609 4.618 30 10 IJEE C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nc(C(F)(F)F)no1 1584154727 HVXYOAKUGRHSQK-JTQLQIEISA-N 436.777 4.897 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2cc(C(F)(F)F)ccc2Br)cc1 1584228194 OKMPALKDHCRQDF-UHFFFAOYSA-N 426.232 4.800 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)[C@H]1CCCO1 1585510931 AJIHPYAAWXOVFA-VQIMIIECSA-N 446.359 4.818 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)NCC(=O)c2cccc(Cl)c2Cl)o1 1587251006 ICNXUKBKCLDXGN-UHFFFAOYSA-N 429.259 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CCOCC1 1587562615 RGBWNVLUPPDCEG-RBUKOAKNSA-N 445.007 4.963 30 10 IJEE C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N1c2ccccc2C[C@H]1C 1587570372 HSHBIWZPHJGWKE-MSOLQXFVSA-N 441.556 4.806 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC[C@H]1C 1587599833 RJXWGQCGCBIVCY-HLLBOEOZSA-N 431.378 4.610 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1587712076 LQTSTVIDBRIVEF-LJQANCHMSA-N 442.007 4.535 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1588994298 URFPTYVNJKYKQY-KRWDZBQOSA-N 446.567 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(F)cccc1Cl 1589515681 RATRONBJUFSJJW-YWZLYKJASA-N 429.927 4.683 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C/C=C\CC)CC1 1594229893 WCMNCJWUOSTRDK-YFHOEESVSA-N 432.572 4.605 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1594582573 RFHDIEPCELNDCE-NSHGMRRFSA-N 444.645 4.728 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCC(F)(F)F 1594894971 CJFOPJGHWIHLBJ-UHFFFAOYSA-N 433.272 4.681 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@H](C)C1 1595119819 GKMGCPQEFLIMIK-FYYLOGMGSA-N 431.584 4.662 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCc1nc(C)c(C)s1 1595141356 GGQVZARYIPLOOX-HXUWFJFHSA-N 441.576 4.777 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCN1CCC[C@@H](C)C1 1595196558 XCJNJGCFFMHBPM-GOSISDBHSA-N 444.421 4.618 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCSC2)C1 1595700695 RGEWVWYDWBODEJ-NVXWUHKLSA-N 436.984 4.662 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1596142085 NUBPXLKLWINGGO-LJQANCHMSA-N 442.600 4.613 30 10 IJEE Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1596589084 FTNHOJKJFWNYIV-UHFFFAOYSA-N 440.425 4.503 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(F)cc1C 1623308955 KTYOOEKDGJQIDS-AWEZNQCLSA-N 435.721 4.871 30 10 IJEE C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1623490730 HSQYNUBQGUZJOW-BEFAXECRSA-N 434.392 4.883 30 10 IJEE C#CCOc1ccccc1CNC(=O)NC1(c2cc(Cl)cc(Br)c2)CC1 1631792368 HYUZXLLBYXKEBJ-UHFFFAOYSA-N 433.733 4.603 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1 1632109555 ZISAHZCUKKTTEK-UHFFFAOYSA-N 448.009 4.534 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2ccc(Nc3nccs3)cc2F)cc1C#N 1632317448 HFGZZTZZSQXZSJ-UHFFFAOYSA-N 425.445 4.718 30 10 IJEE C#C[C@@H](NC(=O)NCC(F)(F)c1ccc(Br)cc1)c1ccc(Cl)cc1 1636557665 ROONHJIYKXPOCQ-MRXNPFEDSA-N 427.676 4.868 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 1637451853 PBGUWHMWQZTVPY-OAHLLOKOSA-N 431.414 4.827 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)c1cc(Br)sc1Br 1644184237 YQWOXVMUDOKYQF-UHFFFAOYSA-N 443.116 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1CCOCC1 1649540061 TYOBWSAXZZBIED-IBGZPJMESA-N 431.584 4.627 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2nc(C)cc2C)C1 1649591168 BNSPFAIZZBLIGZ-UHFFFAOYSA-N 431.588 4.737 30 10 IJEE CC(C)CCn1c(SCC(=O)c2cccc(C#N)c2)nc2cc(Cl)ccc2c1=O 1652469214 GNXWZFKUEPMWMA-UHFFFAOYSA-N 425.941 4.943 30 10 IJEE Cc1cccc([C@H]2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)C2)c1 1654119772 APNQJXHOOOPQPJ-DEOSSOPVSA-N 426.564 4.761 30 10 IJEE C#CCN(Cc1ccc(Br)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1655587370 YYVHXMZENSJSTA-UHFFFAOYSA-N 441.797 4.937 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCCOc1cccc2cccnc12 1657127848 SXRDQECPEQQPSV-UHFFFAOYSA-N 425.326 4.568 30 10 IJEE C=CC[C@@H]1N(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CCCC1(C)C 1658465993 GXBIIEJTGLJANW-QHCPKHFHSA-N 434.584 4.980 30 10 IJEE C#C[C@@H](NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccc(Br)cc1 1659303962 CUQDYRIEOHXSLM-QGZVFWFLSA-N 448.361 4.661 30 10 IJEE C=CCN(Cc1cccs1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br 1659387558 NUIXMWODWVQTIM-UHFFFAOYSA-N 440.306 4.906 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 1659604642 SAHZQNNRXBMTGF-UHFFFAOYSA-N 434.467 4.766 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1OC)c1ccccc1 1663909720 HSQMANYBCYMETC-QGZVFWFLSA-N 442.350 4.973 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(Br)c(C)cc2OC)cc(OC)c1OC 1668573825 RLSSYAXUIAKEDO-UHFFFAOYSA-N 449.345 4.834 30 10 IJEE N#Cc1cc(NC(=O)NCc2cccc(COCC(F)(F)F)c2)ccc1OC(F)(F)F 1669353662 ASWDADBXRGHVLK-UHFFFAOYSA-N 447.335 4.857 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 1669536342 IGPIZNXQCHNOAN-CTYIDZIISA-N 435.268 4.807 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnn(Cc2cc(F)ccc2Cl)c1 1673023337 SLFZGKBBOWUBRE-UHFFFAOYSA-N 428.895 4.953 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1ccc(F)cc1 1674202570 NSLNUXQMPPENOU-QEEYODRMSA-N 449.448 4.954 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1 1674518735 JXTPCZWYMPQAIL-HSZRJFAPSA-N 430.504 4.821 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)cc1 1675409286 KGOPWCPRPNAGOA-NLFFAJNJSA-N 431.580 4.685 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 1680280005 HUMQAYNFUBJFCS-VBKZILBWSA-N 442.428 4.751 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(F)c(F)c1 1681551881 JDTKQRPPHBZNNJ-DLBZAZTESA-N 445.457 4.526 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1681942485 NNMMCDSEQJMRGP-QFIPXVFZSA-N 441.616 4.997 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1 1685479082 RSHPYEVRLUCMGR-FQEVSTJZSA-N 427.932 4.903 30 10 IJEE C=CCC1(CNC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCCC1 1686428495 BZFROZSIWHWIGE-OAQYLSRUSA-N 427.589 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCN(C)C1CCCCC1 1690207736 JXZIRRTZFMXUKL-AREMUKBSSA-N 437.607 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CC)C1 1690240098 BRETTWXBXPXEIB-MZYLBHOOSA-N 438.616 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690246910 XRFTUNHJVWWSLY-QMMLZNLJSA-N 448.970 4.930 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCCOC1 1690304930 RJDSXCCETIHHKG-RBUKOAKNSA-N 444.645 4.587 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1690316658 ITLALCXMUCIBMV-FQEVSTJZSA-N 440.588 4.731 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)SC)CC1 1690399497 YVRDNARYDFPPSI-UHFFFAOYSA-N 438.439 4.590 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1690419211 KJSQNCQIMADHQM-RTBURBONSA-N 442.007 4.556 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC(C)C)CC1 1690475547 WBSUNQUBHLLADX-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1690480481 KEILRONAFNIMOC-WOJBJXKFSA-N 448.615 4.914 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccccc2)CCOCC1 1690534844 NKMCWCWVEJAAND-FGZHOGPDSA-N 438.616 4.567 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)c1c(C)noc1C 1690602384 OFARNDSKIFRCMP-IBGZPJMESA-N 442.567 4.984 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2CCCC[C@H]2C1 1690632893 WNRKKETUUBRAOS-CVEARBPZSA-N 431.378 4.919 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC=CO1 1692348801 IBFCNJYAOPHHEY-PWRODBHTSA-N 429.609 4.656 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)C1 1694460103 DGDIUVPATOCMEG-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1)c1ccco1 1695622507 DDWUFTHGRBNHMB-ZRCGQRJVSA-N 446.599 4.975 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@H](SCC)C1 1705511430 UJDUACHDJUEFIX-QFIPXVFZSA-N 442.629 4.878 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1705526513 GRSDIJAIDXHIEC-UHFFFAOYSA-N 434.506 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)COC1 1705668658 QWZDICPIBISRSR-HOYKHHGWSA-N 442.991 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)Cc1cccs1 1705704931 AQZHFBKWZRKUHL-XXBNENTESA-N 438.597 4.579 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC#N)CC1 1705709334 NMZVIFRYAMZOTE-RDGATRHJSA-N 449.599 4.585 30 10 IJEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1705725629 LNANZJFHRWYBBY-LPHOPBHVSA-N 439.585 4.891 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1705796236 BMROHKLUXPBKIE-JTHBVZDNSA-N 434.588 4.558 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCSCC(F)(F)F 1705837822 PJIYSRIOBQFJEN-UHFFFAOYSA-N 441.342 4.687 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCN1CCCC[C@H]1CC 1705859506 BPXRDJAWRPCSPD-HSZRJFAPSA-N 443.599 4.602 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(C(C)C)C1 1705863102 HWDMYUIPFIAQJM-VWLOTQADSA-N 444.627 4.577 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(CCCc3ccccc3)nnc2N2CCC(C#N)CC2)C1 1707974371 GLGVAAVMOGJIGD-ZRZAMGCNSA-N 448.659 4.561 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)[C@@H]1C 1708133861 HYCJIKFDGDWXFC-ZHALLVOQSA-N 429.515 4.789 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1708704416 HEQHNSGOPUCTKL-BQFCYCMXSA-N 442.995 4.564 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)C1 1710935054 AQLPRQMHDVFBIH-KDXIVRHGSA-N 439.629 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CC(CC)(CC)SC 1722474521 NOJRJTMMWFNDBZ-XMMPIXPASA-N 440.657 4.986 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1722593211 KENLABHZFMAONC-SNJCGAMXSA-N 438.616 4.987 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CC)C1)c1ccccc1 1722593984 DGDYWFOTWDCFAX-FPOVZHCZSA-N 430.556 4.522 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722614502 PJRKVOPGVSKYMU-IBGZPJMESA-N 448.615 4.770 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCOc1ccc2c(c1)OCO2 1722661160 VIODPIKQFPGTEK-UHFFFAOYSA-N 440.569 4.637 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1722688158 OTUTYGDEGSCSKS-PKTZIBPZSA-N 437.632 4.751 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1722742655 BBUUTQGYVGQURG-OALUTQOASA-N 432.659 4.723 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740588337 QFDJFLAWOKVJKP-FQEVSTJZSA-N 437.588 4.503 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC)c1ccccc1 1740614967 MQCCIPPDJWNNJM-CTNGQTDRSA-N 437.588 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccsc1)N(CC)CC 1740726527 CTFHGCHILYMJCB-HYBUGGRVSA-N 437.613 4.983 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](CC)C1 1740756445 PIKXVGJXSPTOCQ-PWHSHALESA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1CCCCC1 1740757936 YHTOFFTUEGTUDR-TZIWHRDSSA-N 429.996 4.991 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccc(F)cc1 1740778022 AVDTWHIYKOCZMN-CQSZACIVSA-N 432.341 4.959 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1740794782 IDBRSYRDNVVQDM-FQEVSTJZSA-N 429.634 4.986 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2ccnc2C)CC1 1740836044 MCPXCCTVQLYASU-UHFFFAOYSA-N 442.514 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740847860 WDSCBDZKBYYIBD-OAQYLSRUSA-N 433.604 4.906 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCC1(F)F 1740917409 RGUYHKHTWUKALX-FQEVSTJZSA-N 443.542 4.532 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C 1740920751 VLFAUVYTWPSTCO-SQJMNOBHSA-N 449.574 4.657 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1740927641 WDBFXIXKUDZZOD-JTHBVZDNSA-N 436.648 4.911 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC[C@H]1CCCCO1 1748659415 HBPGQXQVCAMSKV-IAGOWNOFSA-N 431.378 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCCCC1 1748687616 NKZMGLBWXCJZNY-FQEVSTJZSA-N 425.646 4.601 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1Cc1nc(C)c(C)s1 1749073323 LHUQTNCLNJPOLK-XMMPIXPASA-N 435.597 4.588 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1749213481 LIBPSYPLCVULOU-OFVILXPXSA-N 437.588 4.758 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1749351843 ARVPQBMLUHJGSB-NHCUHLMSSA-N 429.634 4.677 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749391094 QNUAHZJJABRIAR-IBVKSMDESA-N 438.616 4.983 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC)(CC)C1 1749424297 FSNVVQFKYANCHG-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1OC 1749552499 DEIBJLLMEQKRKR-PXNSSMCTSA-N 443.642 4.703 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1749563509 JQUVEROGVYEVHD-UHFFFAOYSA-N 443.507 4.919 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1scnc1C 1760228217 YFSWIVOKMXZHOV-UHFFFAOYSA-N 444.608 4.820 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)c1nc(C)cs1 1760331772 YBAYLJOMIOWVCM-MRXNPFEDSA-N 441.601 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1760339629 PAQDUIWRUQHNDY-AREMUKBSSA-N 447.583 4.870 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCSCC(C)C)CC1 1760381210 CWSVVEDFPMTCQC-UHFFFAOYSA-N 427.618 4.693 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccnc(SCC)c2)CC1 1760392398 OMJIIUDHAMFTQU-UHFFFAOYSA-N 439.560 4.708 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](CC)OC)CC1 1760399150 AYPXATGFEJXGRH-QGZVFWFLSA-N 449.393 4.544 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1760399591 SADTUNACTCGEHK-OAQYLSRUSA-N 425.577 4.508 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCOC2)C1 1760406620 IJUXKAZYLWQCFV-UUOWRZLLSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1760433477 SMKWDMVPAWRCQU-MRXNPFEDSA-N 430.984 4.661 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760491430 GYQCWPLSGMCHIN-KRWDZBQOSA-N 430.581 4.625 30 10 IJEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C(C)C)N(C)C 1760980129 GRRNFJULEYBCOX-QFIPXVFZSA-N 434.588 4.801 30 10 IJEE Cc1sc(-c2ccccn2)nc1-c1ccc2c(c1)oc(=O)n2C(=O)c1cccc(C#N)c1 1860480091 OTBSPRIXRIHTKU-UHFFFAOYSA-N 438.468 4.649 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 1861007918 IYFVRZHOGXHBJV-JOCHJYFZSA-N 425.529 4.851 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 1861887239 GIUCDALZZXKYTP-UHFFFAOYSA-N 436.943 4.592 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1C 1862407753 VPPCZGBXICOFDE-QFIPXVFZSA-N 449.503 4.613 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1OCC 1862422865 OWKVGSBVIRDTSW-OAQYLSRUSA-N 443.446 4.503 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862447981 CBNYAIZQUUZDCX-LJQANCHMSA-N 428.872 4.873 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862519152 CMLCKOANKWAAIE-JOCHJYFZSA-N 449.503 4.695 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862534141 OYXPQHBAIIREBO-OAQYLSRUSA-N 447.512 4.787 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862562213 ARYBSYLTZQENEI-LJQANCHMSA-N 443.286 4.947 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Cl 1862594548 FWMVNAJDPLOHGV-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862598511 WIBAMWWHSQUZIX-XMMPIXPASA-N 443.499 4.612 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCc2cnc[nH]2)c1 1862649325 VUCCKASREHAAAA-XMMPIXPASA-N 437.499 4.692 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 1862735720 QZKWMGLODPXGPO-MMACOIQUSA-N 438.455 4.891 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)cc1 1862938274 VVIBTBRLESSSMM-UHFFFAOYSA-N 429.426 4.795 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 1862981838 IIPXXRKMWDRSLR-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(c3ccccc3Cl)C2=O)cc1 1863077099 BKKUJQFXWHYAAG-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863092824 FBNWQJGLCJCMEE-UHFFFAOYSA-N 439.446 4.605 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1 1866716166 QHLJYLDXFSCHMQ-MGPUTAFESA-N 429.973 4.582 30 10 IJEE COc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866981244 VNIMBZRHRZJTCF-RPBOFIJWSA-N 441.531 4.803 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)nc(Cc2ccccc2)n1 1869082933 KLBRHWVIQRLEKY-SANMLTNESA-N 428.584 4.729 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 1870106350 JAWTYJUAOIGZPQ-CSKARUKUSA-N 426.307 4.719 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2Cl)cc1Cl 1870144516 CGTUNBSGVYZIJV-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN(CC)CC 1870503249 CSWTVSBUUISGSS-UHFFFAOYSA-N 448.633 4.525 30 10 IJEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870811930 KSXCUXRCGHPISW-UHFFFAOYSA-N 428.536 4.924 30 10 IJEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870847661 YKNSLLZYSIQMJU-UHFFFAOYSA-N 439.339 4.531 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871418546 ZGFUTPCPXZPERN-FBHDLOMBSA-N 439.851 4.884 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871422483 MRVWFHYWGPCLCF-UCQKPKSFSA-N 427.456 4.831 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871462376 QKHCVGGDYUOGNJ-HAHDFKILSA-N 430.456 4.612 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872555810 XSEKSPYCQFGXBX-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCc3cccc(C)c3)cc2[nH]1 1872805872 MNQCTQAUFSKCEW-UHFFFAOYSA-N 427.504 4.945 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2-c2ccco2)ccc1OCc1ccccc1Cl 1873502550 NYZBJLWWOOGWMI-FSJBWODESA-N 440.912 4.950 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1873609803 SIEJPHDHGBUYOC-UHFFFAOYSA-N 441.535 4.841 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(NCc3cccc(C)c3)ncnc21 1873617707 DKSHZUKGLPYGAH-UHFFFAOYSA-N 440.551 4.856 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874322232 HDGQOSYUTJOAFT-UFFVCSGVSA-N 431.905 4.640 30 10 IJEE Oc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1F 1874346293 HOJYYSNYZUNXJR-WGOQTCKBSA-N 448.523 4.919 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874390670 ZBYLZXNJUBIQNM-YDZHTSKRSA-N 435.380 4.841 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1cccc(F)c1)Nc1ccccc1F 1874452239 LOSJNXQFXHQJNC-DHRITJCHSA-N 441.507 4.827 30 10 IJEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)C)cc(Cl)c1O 1874513986 AKVGEMSGRSDXBI-YDZHTSKRSA-N 430.961 4.986 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccc(Cl)c1 1874514990 LVVDKUXALUAOQL-FOKLQQMPSA-N 438.944 4.878 30 10 IJEE Sc1nnc(CCOc2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1 1874562845 VMLSWBVDXFYZEO-KOEQRZSOSA-N 430.533 4.650 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)cc1OC 1874575748 FKJOGJAHQRNUHR-FMIVXFBMSA-N 431.916 4.501 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OCC(=O)OC 1874610818 MZDYNEGOUZFVGN-MDZDMXLPSA-N 445.309 4.634 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1cnccn1 1875119415 TXKKSWOXSKPCEX-CMDGGOBGSA-N 438.867 4.653 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)CCCSC)c(OC)c1 1875143652 KKBAQJQRSRLXPW-MDZDMXLPSA-N 444.549 4.966 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)COC 1875160311 JQKAEFSEQFIMKO-DHZHZOJOSA-N 426.509 4.839 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)c(OC)c1 1875178846 FVYDPVVKGIDCIS-FRKPEAEDSA-N 431.488 4.885 30 10 IJEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1900214366 MLRCFYMLDWZNKP-RBUKOAKNSA-N 435.487 4.858 30 10 IJEE N#Cc1ccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c(F)c1 1952727221 WSPLSJSGQOSMPP-BKMJKUGQSA-N 442.446 4.536 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2021497911 OVJIJKLFTANMGG-JKSUJKDBSA-N 436.557 4.852 30 10 IJEE O/N=C/c1nn(Cc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079232524 YNOPVMOKYTVFQN-LKNXVUQUSA-N 434.109 4.679 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(F)c(Br)cc2F)C1 2126627106 GVILSTHLUVGJJA-UHFFFAOYSA-N 431.277 4.527 30 10 IJEE COCC[C@]1(Nc2ccc(Br)cc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162313318 RQUYHJXCQXRLPA-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(Br)cc1OC 2165534380 YLXFRWWVKZIZMN-FGZHOGPDSA-N 434.374 4.632 30 10 IJEE C=C(C[C@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)OC 2171022628 NDCNCOHHOQASKR-RBUKOAKNSA-N 441.410 4.803 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2235722649 KBAZPVMBSXFAHD-RTBURBONSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2235730497 VIBIXYFWHOQZDZ-RTBURBONSA-N 435.406 4.720 30 10 IJEE C=C(COCc1ccccc1)[C@@](CNC(=O)OC(C)(C)C)(OCCC(=O)O)C(C)(C)C 2252116065 YZLPIRHPFYNPII-XMMPIXPASA-N 435.561 4.560 30 10 IJEE CN[C@H](C#Cc1ccccc1Cl)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2252760963 HXQOYOAAGVQTGD-NMNUPHIUSA-N 442.987 4.778 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccccc1NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267093460 UTLMUNPIUTYPKT-QZTJIDSGSA-N 444.381 4.565 30 10 IJEE CC1(C)OB(c2cnc(Oc3cc(Cl)cc(Br)c3)c(F)c2)OC1(C)C 2269063197 DQEBHEYJXQVOII-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE Cc1ccc(I)c(C(=O)C#Cc2cccc(Br)c2)c1 2278751510 CUJLHIXJHWVSKR-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2cccc(Cl)c2Br)C3)OC1(C)C 2283201399 CTTSISHSOHPIHQ-BUXKBTBVSA-N 440.574 4.801 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(I)c(C)c1 2296228326 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COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccncc2)cc1 2328336087 PQTWXEWTNVKOTN-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)cc1 2328394571 APDCKWLHDFOESO-UHFFFAOYSA-N 437.500 4.507 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccn2)cc1 2328564718 NHDKOBATBFFZLT-UHFFFAOYSA-N 447.539 4.976 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccs1 2328982458 ZHEIDVGUZMTRFT-UHFFFAOYSA-N 442.610 4.669 30 10 IJEE CC(=Cc1ccccc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 2330492866 CZSIWBSBDFLKFI-XMMPIXPASA-N 443.934 4.981 30 10 IJEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1O 2330493369 PEJGDLLEVRGDQL-UHFFFAOYSA-N 444.560 4.800 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2330651081 JWTGNUBDXBBXJF-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)N(CC)CC)nnc1C1CCCC1 2331017860 NBRLTRUVDSVGFU-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(O)cc1 2331048302 HLQCKWSOLBLBMB-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE Oc1nc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)nc2ccccc12 2331222445 YOPXPDWVLRQZSZ-UHFFFAOYSA-N 446.467 4.501 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2c[nH]c3ccccc23)o1 2331451265 JXFZFOBGEXRJQK-UHFFFAOYSA-N 437.525 4.512 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CCC2)c1 2331500371 ZYSHEMZQCYQCDQ-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE Cc1cc(CNC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369680526 USOCDBXQYDQBGR-NXMIGULDSA-N 446.444 4.579 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3ccc(-n4cccc4)cc3)nc12 12289343 JYATYKAXXPFKAG-UHFFFAOYSA-N 448.486 4.652 30 10 IJEE CCN1C(=O)/C(=C\c2cc(C)n(CC)c2C)S/C1=N/c1ccc(N2CCOCC2)cc1 15013446 FZCBKPBZVYXVQT-XAFFKLEKSA-N 438.597 4.585 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)CC1 23607155 GBRBHVJESJYTGO-RKDDFOCISA-N 437.613 4.615 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)N1CCN(Cc3ccccc3)CC1)n2C/C=C\C 35927729 QWNWZRCWUJTOAC-HYXAFXHYSA-N 429.564 4.740 30 10 IJEE Cc1ccc(/C=C\c2nc(C#N)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 102887435 XRXQKKRTFULMGF-WDZFZDKYSA-N 432.911 4.641 30 10 IJEE CCOC(=O)Cc1csc(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)n1 169942710 GLFQLNKIRRJUDP-FMCGGJTJSA-N 429.929 4.927 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)s1 169997045 QMWDOYQIHCOAJK-GOSISDBHSA-N 439.924 4.900 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 170059183 SCWVOHFPOUSJMU-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2C)s1 170087417 RQEABZLJQOFSTK-NRFANRHFSA-N 447.560 4.917 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccco2)cc1 170096423 XYHYTELWOGDCDH-QFIPXVFZSA-N 435.451 4.557 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103406 ITVTYFGVDHJYCV-JOCHJYFZSA-N 427.460 4.566 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1O 170110780 VULZJVADQQKGRZ-QFIPXVFZSA-N 445.427 4.519 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccccn1 170172238 IPTGZFACSSKBCV-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccn1)c1ccc(Br)cc1 170173152 HSIRSTSEAQWEPC-IBGZPJMESA-N 435.277 4.627 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccnc2)cc1 170197481 SUPRJASOGZIWTH-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC)c1 170217072 GNUVQXCQPSBHGB-XMMPIXPASA-N 449.547 4.579 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 170224911 HOYZYUIYNCQTFG-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1F 170248775 WHOZQCWSDZKKAA-JOCHJYFZSA-N 447.462 4.940 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2CCOC(C)C)o1 170298588 DLOFFJXLVGDVMV-QFIPXVFZSA-N 441.524 4.626 30 10 IJEE CC(=O)Nc1ccc(/C=C2\SC(=NC(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1 252611336 IJBPMOOSRXVMAO-MTTLQMSQSA-N 441.512 4.962 30 10 IJEE CCN1C(=O)/C(=C/c2cc(Cl)ccc2OC)SC1=Nc1ccc(C(=O)OC)cc1 252620705 MKEOJIVWPDXRRH-AQEWOIMGSA-N 430.913 4.759 30 10 IJEE C=CCNC(=S)NN=Cc1ccc(OCCOc2cc(C)ccc2C(C)C)c(OC)c1 254393735 MQGFNVNQFSJNLM-UHFFFAOYSA-N 441.597 4.569 30 10 IJEE C=C(C)CN=c1scc(-c2ccc(OC)cc2OC)n1N=C(C)c1ccc(OC)cc1 254739684 VGCRTBUFJWBQIK-UHFFFAOYSA-N 437.565 4.992 30 10 IJEE CCCCCCCCNC(=O)C[C@H]1S/C(=N\N=C(C)c2ccc([N+](=O)[O-])cc2)N=C1O 254869045 YFQDAEVSSGYGMF-GOSISDBHSA-N 447.561 4.614 30 10 IJEE Cc1ccc(C#CCCO)cc1C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 390639123 KLMNUMWSTZNDQZ-UHFFFAOYSA-N 440.587 4.551 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3ccccc3OCc3ccccc3)c2)OC1(C)C 405062537 RAHMILPBQCXGJF-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 518994686 GWGYOKDTDSBELV-OXJNMPFZSA-N 439.585 4.721 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1nc(C(=O)OCC)cs1 524105565 KRDOMDITDOVIAR-STQMWFEESA-N 425.337 4.949 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)c1OC 526606957 LFWOSGQYJVSVIA-JOCHJYFZSA-N 430.435 4.772 30 10 IJEE N#Cc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O 526674285 FVMZOEZEKGTDFY-UHFFFAOYSA-N 426.181 4.666 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 537492783 XUVHHMSOZPEJFK-UHFFFAOYSA-N 444.322 4.648 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)NC3CCCCC3)C2)c1 586007069 VFNKSFBUQBJCLI-JOCHJYFZSA-N 426.605 4.761 30 10 IJEE N#Cc1c(NC(=O)C[S@@](=O)Cc2ccc(Cl)cc2Cl)sc2c1CCCC2 586300395 VPTGDGNDIVTGBO-SANMLTNESA-N 427.378 4.693 30 10 IJEE Cc1ccccc1OCCCC[S@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 586348417 LYXMBDDEWVFMNX-JTBPQFFMSA-N 444.622 4.599 30 10 IJEE O=C(Nc1cccc(Cl)c1)NC1CCC(OS(=O)(=O)c2cccc(Cl)c2)CC1 586506104 OEHYKQKJTGJXRE-UHFFFAOYSA-N 443.352 4.832 30 10 IJEE CCN(Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1)C(C)C 726052786 AJNHGZAPXOLVHI-INIZCTEOSA-N 439.581 4.523 30 10 IJEE O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(C(F)(F)F)nc1O 731562818 HDOYZXSQJMHCMF-SOFGYWHQSA-N 436.393 4.950 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)CC/C=C/c2ccccc2)n(Cc2ccco2)c1C 738684246 ICOCWLDBMBIEKK-IZZDOVSWSA-N 431.492 4.593 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2[C@@H]2CCCCO2)cc1 743452008 PRJOJZKKOLGPRA-NRFANRHFSA-N 444.564 4.852 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)ccc1Cl 743799247 TWYKUTPYXJKQQM-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE O=C(/C=C\c1cncc(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769639047 GJGCPWDYKHXUPV-NLVOMGJBSA-N 448.338 4.872 30 10 IJEE O=C(N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)C(F)(F)C(F)F 769643055 YXXMEBKUEQZWKV-JTQLQIEISA-N 427.238 4.525 30 10 IJEE C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807247783 FOMCRSYEBOCCGJ-OAHLLOKOSA-N 437.952 4.776 30 10 IJEE C=C(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccc1 807797716 JTYISLZUIXWEFO-LJQANCHMSA-N 429.948 4.829 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(OCc2nccn2C)cc1 814769943 MMITYTWODNCMOG-UHFFFAOYSA-N 440.429 4.797 30 10 IJEE Cc1ccc(C)c(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)S2)c1 1083908879 NVVBQPNVHKARNW-VIZOYTHASA-N 448.298 4.571 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1)C1C2CC3CC(C2)CC1C3 1083994718 QSEJFDZBLIUCSQ-UHFFFAOYSA-N 429.977 4.638 30 10 IJEE COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1124650321 CQLLRZQAFANGGA-OAQYLSRUSA-N 446.890 4.744 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C[C@@H]2CC2(C)C)c1 1131466800 KQWMRWYXLQTLSX-KRWDZBQOSA-N 447.000 4.839 30 10 IJEE CC(=O)c1ccc(Br)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 1132839868 BDLYAYWQVJMUSD-UHFFFAOYSA-N 439.265 4.948 30 10 IJEE C=C[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)c1ccccc1 1143077539 DZHUKXFIDVZUKP-HXUWFJFHSA-N 427.342 4.596 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1nc(Cl)nc2ccccc12 1162037147 AITVPHUBQYQTCN-UHFFFAOYSA-N 427.892 4.930 30 10 IJEE C#CCN(C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CCN(C)CC1 1178739986 UXYDNLHFWFYCNW-DEOSSOPVSA-N 427.013 4.719 30 10 IJEE COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2c2ncc(Cl)c(C)c2C#N)c1 1187470095 FTIWJCADKMYYGG-FQEVSTJZSA-N 442.947 4.722 30 10 IJEE N#Cc1ccc(Cn2cnc3scc(-c4ccc(Br)cc4)c3c2=O)s1 1188037683 FYMKPDYJHQQCRB-UHFFFAOYSA-N 428.336 4.869 30 10 IJEE C=CCN(CC(=O)N(Cc1ccccc1)c1nc2c(C)c(C)ccc2s1)[C@H](C)COC 1196048182 OYKZZSRHWWIWMY-LJQANCHMSA-N 437.609 4.969 30 10 IJEE CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)C1 1204212049 GJAZLJIFYVJGSW-AWEZNQCLSA-N 428.392 4.857 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)cc1 1209176933 QSFNADIIOSGWNC-UHFFFAOYSA-N 435.545 4.641 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1c(Br)ccc(OC)c1F)c1ccccc1 1213548913 SDZXTVJEXNUCMT-INIZCTEOSA-N 442.350 4.973 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 1216884631 UMFBHONDNYLNOB-RUZDIDTESA-N 427.548 4.854 30 10 IJEE C#CCN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@H]1CCOc2ccc(Br)cc21 1227479534 KWIJBLLPGLWELD-CUWPLCDZSA-N 439.353 4.864 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 1251831320 USMUROUPWHEIRW-RUZDIDTESA-N 445.607 4.787 30 10 IJEE C#C[C@H](NC(=O)NCCc1c(C)[nH]c2ccc(F)cc12)c1ccc(Br)cc1 1252459703 VMPFCNBREMGEEZ-IBGZPJMESA-N 428.305 4.594 30 10 IJEE C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1C#N 1265900938 BHAOBSFERRCTKI-SNVBAGLBSA-N 440.110 4.583 30 10 IJEE C=CCN(C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21)C1CC1 1266693649 IDHHSBYPMITSMJ-UHFFFAOYSA-N 444.457 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc([C@@H](C)O)cc1 1286279282 LIVHVXCOSZBMNB-ZWKOTPCHSA-N 434.609 4.835 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C1CCCCC1)N(C)C 1286361504 PUHJGWYNPODYQU-GCJKJVERSA-N 444.023 4.651 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OCCC 1286438788 GGHXOXLWBYJCMO-UHFFFAOYSA-N 431.584 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCc1ccccc1C(F)(F)F 1286522748 PDQFRUSWCLEMAL-HSZRJFAPSA-N 439.485 4.902 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 1286556613 DYFNZPKUCDFACM-YKSBVNFPSA-N 438.616 4.728 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1286646967 XLNASGWJVPGRHP-UHFFFAOYSA-N 425.543 4.757 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1286649648 VQLXLQYPRRZBFI-UHFFFAOYSA-N 441.620 4.734 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286673560 YMKYUPYALYHSGO-HOTGVXAUSA-N 437.009 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286673755 YIHWCUNLLMXWCN-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@](C)(CC)C1 1286704488 VWZPWMKLNAIODY-NRFANRHFSA-N 449.393 4.591 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1286705583 ANVDCVFXCWEYEL-UZLBHIALSA-N 436.959 4.755 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@@H]1OC)C1CC1 1286735078 MWHYMZWXWDFTIZ-XLIONFOSSA-N 445.405 4.986 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C)C1CC1 1286739304 XSAWUXHMVCABJX-BGYRXZFFSA-N 437.588 4.560 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1ccc(C=C)cc1 1286747571 KSIGLOKEIRGENN-UHFFFAOYSA-N 430.581 4.818 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1286776872 ITVCSUQENZBHPJ-HSZRJFAPSA-N 437.632 4.608 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1286832365 KFIWWAIHUREDRK-HSZRJFAPSA-N 439.673 4.956 30 10 IJEE Cc1cccc(Cn2c(-c3ccc(Br)s3)nnc2N2CCC(C#N)CC2)c1 1290027683 FCQIHIBONAKGKM-UHFFFAOYSA-N 442.386 4.866 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl 1295754254 ATVIDNVXDGIDIG-XOKHGSTOSA-N 431.360 4.568 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 1299074242 SSKQEDWPUIUKSV-PKOBYXMFSA-N 444.963 4.577 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCO[C@H](C)C1 1300371323 QEKZNOXRSDCUKV-HXUWFJFHSA-N 445.007 4.670 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CCOCC)CC1 1300606212 IXBDWINMYLIPAA-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(OC(C)(C)C)nc1 1300638732 VNDDZYRMCWEVBY-UHFFFAOYSA-N 447.583 4.554 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(C)C1 1300830255 SVNWLDACYHSMGH-UHFFFAOYSA-N 425.277 4.612 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCC(C)C 1300893007 XLKYCNITNZPGHP-ZJSXRUAMSA-N 426.605 4.937 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301178893 UOHAVTZJRQRYAZ-QZTJIDSGSA-N 445.405 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC1(SC)CC1 1301374884 GEJAHOXHZUIGSR-UHFFFAOYSA-N 437.382 4.921 30 10 IJEE C=C(CCN(C)C)C(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1303786030 GZRNZTPYIPAGNF-UHFFFAOYSA-N 435.337 4.847 30 10 IJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 1307163267 CRCNWTSSWNIUKL-PAQOUXTFSA-N 435.590 4.999 30 10 IJEE C=CCn1c(SCC(=O)c2ccccc2OC)nc2sc3c(c2c1=O)CCCCC3 1307239161 IYMDEYOACODXGT-UHFFFAOYSA-N 440.590 4.897 30 10 IJEE Cc1nc(CC2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)no1 1310254854 BTGBTGXZBOEWBS-UHFFFAOYSA-N 445.523 4.624 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1348889433 RCPXZRUMMDVBQN-NRFANRHFSA-N 437.378 4.753 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 1352566326 BQMWFHQNCYMDFC-UHFFFAOYSA-N 429.451 4.794 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)c1 1352621205 QHQDKZASZIZGOW-UHFFFAOYSA-N 447.560 4.996 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@H](C)c2cccc(OC)c2)c(C(=O)OCC)c1C 1353747076 YOKOCJSZAMMJFJ-AWEZNQCLSA-N 445.537 4.717 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCOC1 1358917297 MVGNSCXKNJPEEU-GOSISDBHSA-N 433.021 4.890 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCSc1ccc(C)cc1 1359002786 NFQAAXPJZUAAIA-UHFFFAOYSA-N 444.402 4.596 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCSC1 1359066909 UTAOXZKCNPGWTJ-SCLBCKFNSA-N 437.432 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccc(Cl)cc1 1359067081 AAPKDAOOJATBLR-JOCHJYFZSA-N 442.350 4.718 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC2CCCC2)CC1 1359134193 MYDKAAPGCASDSK-UHFFFAOYSA-N 442.579 4.529 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)CN(C)C)CC1 1359181730 FZSKFAHNHSQPOO-UHFFFAOYSA-N 427.662 4.869 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359204538 SLXZRRKIZFJYAO-UHFFFAOYSA-N 435.616 4.515 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCO[C@@H](C)C1 1359243552 VMNMQFLBJBEVOW-RBUKOAKNSA-N 432.996 4.689 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1359252626 ZQIDMPLLDURILT-IBGZPJMESA-N 445.633 4.635 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@]1(C)CCCS1 1359256563 JOUMOTKUGLABFO-VWLOTQADSA-N 444.608 4.614 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC=C(c2ccccc2)C1 1359286937 BPOHTWODZSSLJE-JOCHJYFZSA-N 449.599 4.872 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2(F)CCC2)C1 1359313363 KVLQDJMWVCJEGJ-SFHVURJKSA-N 449.368 4.771 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)N2CCCCC2)c2ccccc2n1 1361044749 DAURYVBPTIPXGT-FQEVSTJZSA-N 445.615 4.805 30 10 IJEE COC(=O)COc1c(C)cc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)cc1C 1436545658 FTGFPGIJIAUCEH-SWLSCSKDSA-N 426.538 4.727 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@H](C)n1cc(Br)cn1 1436641527 SCJXZMFFSRDJHH-NSHDSACASA-N 443.139 4.563 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 1447360938 LTOUWNBNXKOMEB-DHIUTWEWSA-N 438.568 4.753 30 10 IJEE C#C[C@H](NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccc(F)cc1 1450082209 RGBIPPLRWAHKNY-PZJWPPBQSA-N 439.531 4.731 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1450322113 COSDYELPXHICCG-IBGZPJMESA-N 434.565 4.605 30 10 IJEE CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1457502226 HRYKCNJXQVVMSQ-BEFAXECRSA-N 442.585 4.874 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2Cc3ccccc3N3CCC[C@H]3C2)s1 1462444029 RXYMLEBPDWDSEE-KRWDZBQOSA-N 434.030 4.850 30 10 IJEE C#CCN(CC(=O)Nc1ccc(OCc2cccc(F)c2)cc1C)C(=O)OC(C)(C)C 1464784251 JAYYCUMLVXEPDY-UHFFFAOYSA-N 426.488 4.522 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(CC)CCOC1 1467787104 SVNRIPSIJKIJSG-SHQCIBLASA-N 448.563 4.545 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1468237361 AJNZOKWDRHJDJE-QHCPKHFHSA-N 435.568 4.695 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 1469492713 WBGVCJPBMVSFME-ZWKOTPCHSA-N 425.495 4.801 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 1471021762 YIOMPDZVPKRVSY-KRWDZBQOSA-N 440.369 4.858 30 10 IJEE C#CCN(CC#C)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1473179697 IQHRVQXVJUKLQY-UHFFFAOYSA-N 433.964 4.565 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cc(N(C)C)c(Br)cn2)cc1OC 1474147965 JDSHVPZTXDEULG-UHFFFAOYSA-N 426.742 4.749 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1492985350 GSUNKVOMWRBJDG-HNNXBMFYSA-N 436.585 4.557 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1(COC)CCCC1 1507603201 SYAJUFWBECCCSV-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507682239 KXDFRZBLWQUCCC-OYRHEFFESA-N 433.600 4.909 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCCn1nc(C)cc1C 1507698986 XHDQVFDJILBBNT-UHFFFAOYSA-N 443.020 4.587 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCC1(COC)CCC1 1507701264 BDNTXRCCDDRSBM-JOCHJYFZSA-N 440.563 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H](OC)[C@H](C)CC 1507761202 KSJUHRIRISIHFY-ZWDAVXSWSA-N 445.405 4.761 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1507789447 WVEYPTNSKDLUTM-HNNXBMFYSA-N 443.361 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(F)ccc1OC 1507816072 DBUJSBFPNDHHHW-UHFFFAOYSA-N 448.340 4.634 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSc2nccs2)CC1 1507896925 KFFAROZTKSQSJF-UHFFFAOYSA-N 436.610 4.858 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CCC(=O)N2CCCCCC2)CC1 1507904614 MKUZUFMYCUODKT-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](CC)N2CCCC2)CC1 1507908781 FFAQDWMOGFLMRS-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(CN3CCCCC3)cc2)C1 1508110165 SFXUEAXHEYMKKQ-QPPBQGQZSA-N 437.632 4.607 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(C)C)CC1 1508150553 NKXVUKRSDCQPBR-UHFFFAOYSA-N 425.602 4.531 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1509553302 ALGLSCGRNODONV-CYFREDJKSA-N 441.023 4.849 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCCSC2)c1 1510584661 FXACLZUALGADHK-RDPSFJRHSA-N 439.629 4.747 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C)CCCC1 1512987531 AQPQFRGSEHHVGQ-NRFANRHFSA-N 434.632 4.956 30 10 IJEE C=C(C)[C@@H](NC(=O)C[C@H]1C(=O)Nc2c(Br)cccc21)c1ccc(F)c(F)c1 1517412264 VTTNGLZILFJHEU-FZKQIMNGSA-N 435.268 4.587 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1517845383 REKQXEYOXLATBD-BCHFMIIMSA-N 442.600 4.661 30 10 IJEE C#Cc1ccc([C@H](OC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C(F)(F)F)cc1 1525704311 QLPQDPXEDWZCIV-QHCPKHFHSA-N 443.465 4.686 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)c21 1526743127 GJFXCWVGWIYYTM-UHFFFAOYSA-N 448.914 4.751 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(OC)nc2ccccc12 1527807412 RPUVIHKZOGLNMM-UHFFFAOYSA-N 429.289 4.973 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 1527892932 VKZUOAIHJFNIFH-GOSISDBHSA-N 434.355 4.740 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(OCC3CC3)cc2)nnc1-c1ccco1 1528597884 VOLXQLZIVNROOI-UHFFFAOYSA-N 425.510 4.601 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 1528669647 HRYKYYCIFPXWMA-IBGZPJMESA-N 447.897 4.937 30 10 IJEE C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C#N)cc1 1531747296 HHRXQIWGHCNQHH-INIZCTEOSA-N 446.956 4.694 30 10 IJEE C#CCCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1531752389 WVZANZCXTZQIHV-UHFFFAOYSA-N 428.923 4.943 30 10 IJEE C#CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)[C@H]1CCCc2ccccc21 1536279108 JJVNCPGXBCAMPU-RPBOFIJWSA-N 432.564 4.867 30 10 IJEE C#CC[C@]1(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)CCCN1C(=O)OC(C)(C)C 1537431757 KCDWDUAHAIWIAZ-GAJHUEQPSA-N 433.618 4.887 30 10 IJEE CCN(CC)CCOc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 1538704938 DWNTYKTWAYRVBD-UHFFFAOYSA-N 433.577 4.937 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)N(C)C1CC1 1538985897 FNUBUPXIFMNUAQ-IAGOWNOFSA-N 437.588 4.753 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)C(C)C 1539030525 RRYUVKVMWWSDHY-MRXNPFEDSA-N 433.394 4.760 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCOC(C)(C)C 1539052338 NMAVPMUBSHMZKA-UHFFFAOYSA-N 433.394 4.762 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)C1CCN(CCC)CC1 1539058175 CDRGQYPSJBZYQV-UHFFFAOYSA-N 430.600 4.607 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCC2(CCOCC2)C1 1539094726 UJZQKOPBFRXINZ-JOCHJYFZSA-N 436.600 4.845 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC2CCCC2)CC1 1539124742 RBMULABRNZMTGF-UHFFFAOYSA-N 426.992 4.864 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)Cc1cccs1 1539312415 PRLIYBPTQOYUGD-HXUWFJFHSA-N 441.604 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(C)oc2ccccc12 1539650513 RJGOTYWJWHHSND-RUZDIDTESA-N 438.572 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1c(CC)noc1C 1539652403 RSYZOUZQQVGGPV-UHFFFAOYSA-N 431.487 4.856 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCN(C)C(=O)OC(C)(C)C 1539660189 VPYPUFMJNWIPPL-UHFFFAOYSA-N 433.984 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1539929378 UYJJXCKNTCIDME-NRFANRHFSA-N 438.551 4.674 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1540012543 PSCUOLZGQJPESC-UHFFFAOYSA-N 436.604 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C(C)C 1540146488 BVUFAESACSLSMX-REHUZNOOSA-N 446.661 4.858 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H]1N(C)CCCC1(C)C 1540147552 NPLAYPINNCEFGT-WOJBJXKFSA-N 429.634 4.504 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 1540412936 KHLLSPBGKFAMBW-GHTZIAJQSA-N 432.561 4.521 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nccs2)C1 1540912087 MHAZBCKINQCEQJ-KRWDZBQOSA-N 448.017 4.552 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1540918684 WXFSRZGVXZFLLF-UHFFFAOYSA-N 447.530 4.838 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccs1 1541106760 BGRBIKSXFTWFQV-GFCCVEGCSA-N 436.404 4.669 30 10 IJEE Cc1ccn2cc(Cn3c(CC4CCCC4)nnc3N(CCC#N)CCC(C)C)nc2c1 1542242390 DPERXZLFJJXOST-UHFFFAOYSA-N 433.604 4.781 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1sc(C)nc1C 1545740847 FEPIFQVSRRUYOI-WMZHIEFXSA-N 438.576 4.578 30 10 IJEE CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N)N1CCCC1 1545951908 DSVFAILUNAQURX-NLWGTHIKSA-N 445.011 4.684 30 10 IJEE C=CC1(CC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CN(C(=O)OC(C)(C)C)C1 1556887033 IQLXWOQWQKPZII-UHFFFAOYSA-N 441.547 4.826 30 10 IJEE CC[C@H]1CCc2nc(O)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)cc2C1 1557130791 ZLLPNLFAJPKUNP-CABCVRRESA-N 431.458 4.875 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)C(C)C)nc2sc(C)c(C)c2c1=O 1559328619 HQDGFLGEYIOMSE-CLCXKQKWSA-N 447.670 4.882 30 10 IJEE CN(Cc1ccc(Br)cc1Cl)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1559813265 AOBSBSVFOJPWBA-LJQANCHMSA-N 432.749 4.602 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4cc(Br)c(F)cc4C3)cc2n1 1563301672 KGFHTXQTJJZFMT-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(CC1)C(C)=Nc1ccccc12)c1ccc(Br)cc1 1565000567 ZUJVGBGQTRIBPG-FQEVSTJZSA-N 436.353 4.973 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 1569090911 ADJRBYZPDLUGRQ-UHFFFAOYSA-N 446.923 4.655 30 10 IJEE C=C[C@H](C)ONC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1583409256 XSUWDHURZVBEMV-INIZCTEOSA-N 430.570 4.638 30 10 IJEE N#C[C@H]1CCC[C@H](OC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 1584702546 DHTZRXLUHYLAFK-LIRRHRJNSA-N 427.298 4.941 30 10 IJEE Cc1c(C(=O)OCc2cc(Br)cc(C#N)c2)cnn1-c1cccc(Cl)c1 1586310815 GOJSPVXOECXYQH-UHFFFAOYSA-N 430.689 4.825 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1587706177 MPJKIMFVDACDGC-FDDCHVKYSA-N 428.577 4.694 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CC2(CCOCC2)C1 1588266296 OALGGKATZSQHBO-OAQYLSRUSA-N 436.600 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H](OC)C(C)C 1589164659 XQWZJTWHAQBDOE-GHTZIAJQSA-N 449.368 4.510 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)cs1 1589504641 IQCBIMTZAOPHSJ-RBBKRZOGSA-N 433.581 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](CC)C1 1589578055 FJJKIMJRVIDLBZ-YYDVJCTNSA-N 442.629 4.797 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)cc2SC)CC1 1594023968 OQKRUKXYSQFNHX-DEOSSOPVSA-N 442.629 4.554 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1594600405 UITMQIAZSJLMIJ-FQEVSTJZSA-N 429.927 5.000 30 10 IJEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)c1cccs1 1594798243 PEKWRLVMGRLNIV-KRWDZBQOSA-N 440.569 4.568 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1595034157 XBLSVZOVPMQMFG-GOSISDBHSA-N 441.576 4.648 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1595120670 YCINQRMYYXQGLL-FQEVSTJZSA-N 436.579 4.990 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC2(CC2)C1)C(C)C 1595165948 NPFVNTJDOOWGIB-DEOSSOPVSA-N 444.627 4.896 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@H]1C(C)C 1595191602 UFUWIHAWINJSBL-UWJYYQICSA-N 430.980 4.847 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O)c1ccc(C(F)(F)F)cc1 1597057501 HUTSYXRVXACPAC-MGPUTAFESA-N 444.453 4.822 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 1616708412 OSWVAQNQHUWWKO-GOSISDBHSA-N 429.495 4.739 30 10 IJEE C=CCc1cc(CNC2CCN(Cc3cccc(Br)c3)CC2)cc(OC)c1O 1620968943 RUBCTDTZWMGFKU-UHFFFAOYSA-N 445.401 4.646 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1 1621686756 KUNMORBMYSJESP-UHFFFAOYSA-N 445.382 4.796 30 10 IJEE Cc1cc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)ccc1-c1ccccc1 1622059097 HSYIQPDQCKYGIM-UHFFFAOYSA-N 441.350 4.775 30 10 IJEE COc1ccc(F)cc1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 1623012008 ADVIQEMRBOOLSE-UHFFFAOYSA-N 435.455 4.871 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F)C(C)C 1623627369 GROUEJLASCQIHC-IBGZPJMESA-N 435.494 4.711 30 10 IJEE COC(=O)C1(CNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCCC1 1625883929 BTXFBISOOPLXSU-UHFFFAOYSA-N 444.347 4.831 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C(=O)OC)sc2ccccc12 1626965052 RYPJHCFRRCUPLP-QGZVFWFLSA-N 446.569 4.554 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c(Cl)c1 1627142205 OIGABKUCMOVUBJ-UHFFFAOYSA-N 444.984 4.611 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1)C(=O)OCC 1627751998 KRKBTIJDVCLMLP-QHCPKHFHSA-N 431.536 4.535 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 1629397767 PMXZIYQJOHCHQT-OXJNMPFZSA-N 429.948 4.962 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCOc2cccc3cccnc23)s1 1632435005 GKZDZSVZFAEQKF-UHFFFAOYSA-N 448.013 4.972 30 10 IJEE C=C(C)CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1636011674 ZZZIFWRBMSPSJQ-UHFFFAOYSA-N 427.353 4.799 30 10 IJEE C#CCN(C(=O)c1cc(Cl)cc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1645458572 XUXVCWKGNGTUCB-UHFFFAOYSA-N 426.944 4.968 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(Cc2ccc(C(C)C)cc2)CC1 1645802658 HQFOXESLSTWBJB-NRFANRHFSA-N 425.642 4.592 30 10 IJEE C#CCCN(CCOC)CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 1647850959 OWLPVKGYHSCSEF-UHFFFAOYSA-N 447.398 4.511 30 10 IJEE C=CCn1c(O)nnc1SCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 1652723271 IEOFLEMLQFRHMQ-UHFFFAOYSA-N 432.958 4.705 30 10 IJEE C=CCn1c(SCC(C)(C)C(=O)OC)nc2sc(-c3ccccc3)c(C)c2c1=O 1656187449 ZCUDYOFWVRXXNY-UHFFFAOYSA-N 428.579 4.911 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)c1ccc(-c2cccc(C#N)c2)cc1 1661353634 IDLVZURRTCWZFZ-KRWDZBQOSA-N 432.545 4.978 30 10 IJEE Cc1nn(-c2ccccc2Cl)cc1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1664533360 FFRQCVQYXWDXBE-QHCPKHFHSA-N 440.378 4.870 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CC3(CCC3)c3cc(Br)ccc32)cc1 1667590031 TWDUQENOXZGETN-UHFFFAOYSA-N 440.341 4.839 30 10 IJEE CC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)NCc1cccs1 1668949823 BKYBFWPUBDXFHQ-OAQYLSRUSA-N 434.521 4.629 30 10 IJEE C#C[C@H](NC(=O)NCc1csc(CCc2ccccc2)n1)c1ccc(Cl)cc1F 1670156123 PKLICIQFXHLEAF-FQEVSTJZSA-N 427.932 4.895 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 1670415843 WBPQPLVRLCEIQG-FRIZHTMISA-N 430.467 4.750 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC1([C@@H](O)c2ccccc2)CC1 1670845510 PVDDDALNDCWDHK-IBGZPJMESA-N 431.330 4.649 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)cc1 1671433341 DYASNUSLPPVWDF-UHFFFAOYSA-N 448.592 4.966 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 1673643954 QQIXBRCLENEHNY-QGZVFWFLSA-N 440.975 4.814 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cc(C(=O)OC)c(F)cc2Br)CCCC1(C)C 1674854024 ICGBDJNQOBVINE-MRXNPFEDSA-N 427.314 4.973 30 10 IJEE N#Cc1cc(NC(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1OC(F)(F)F 1676977491 HKGDFUPHMACVQF-UHFFFAOYSA-N 432.446 4.764 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)[C@H]1CCCO1 1678956370 CLWRCGLVMLVHDP-PWRODBHTSA-N 435.326 4.896 30 10 IJEE C#CCC1(NC(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(OC)cc2OC)CCCCC1 1679155939 QGDDFFMBGNYWAW-DEOSSOPVSA-N 436.552 4.827 30 10 IJEE C=C[C@@H](COC)NC(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1680390536 YSCBJLWYIVJKBN-INIZCTEOSA-N 437.309 4.723 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1)c1ccc(Cl)cc1F 1682367546 PHJUYPKUMQCBRQ-OAQYLSRUSA-N 448.897 4.841 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CCCC1(C)C 1683800637 VSDKVIGDFISPLU-SIKLNZKXSA-N 426.605 4.780 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1685052216 VZCGXGIUMUMVRZ-DEOSSOPVSA-N 449.595 4.789 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 1686796079 IFAOQFIPLXNBQX-HXUWFJFHSA-N 448.464 4.917 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 1690163559 JEXATEPESBFIRN-ZDUSSCGKSA-N 446.901 4.883 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CC(C)(C)CN1CCCC1 1690210568 FALGCDMSSLREAJ-HHHXNRCGSA-N 433.644 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1nccnc1C 1690257762 SVVANSNVVNUTSV-UHFFFAOYSA-N 427.556 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N1CCCCCC1 1690263079 ZHDQSDLRWUHQPT-UHFFFAOYSA-N 434.588 4.622 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccccc1 1690302321 ANFOMARVPVSESU-INIZCTEOSA-N 444.377 4.826 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1690328051 DMKAZQHMRYYSND-GUYCJALGSA-N 426.895 4.723 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCOCCCC)CC1 1690368711 IYYAXDIESXGWTE-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1690426479 OPSNHSMIZARSFP-UHFFFAOYSA-N 432.572 4.634 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)c1ccccc1 1690444545 JDIZZPLZSGZMPA-QHCPKHFHSA-N 449.643 4.818 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](COC(C)C)C1 1690455286 GQEHKUCWMRUVPR-SFHVURJKSA-N 436.959 4.724 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690456195 YUHYZQMQAWRQRJ-SFHVURJKSA-N 447.986 4.835 30 10 IJEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C)=C(Br)C1 1690492198 PLYZPUOUXAODDQ-UHFFFAOYSA-N 447.377 4.711 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1690507182 GIHDEWUGEHYTHB-NRFANRHFSA-N 448.970 4.899 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C)s1)C1CC1 1690539213 YKDNWQUBFVTXIW-UHFFFAOYSA-N 440.569 4.544 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C2CC2)cs1 1690997114 DLOBYOFTXCVXFK-GFCCVEGCSA-N 430.940 4.716 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN(C(C)C)C(C)C)cc1 1697367611 AKFIERPVHLQITC-RUZDIDTESA-N 438.620 4.593 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCSC1(C)C 1705677296 JJLYGVBJFKKGFB-NBGIEHNGSA-N 438.641 4.998 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCC2)CC1 1705721260 SEAMBYJKAMNBMK-SFHVURJKSA-N 429.996 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705802949 ZUSVWQDFUSDXQF-AKHDSKFASA-N 429.609 4.640 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1705815364 UDNBYMAGULVCEN-VQTJNVASSA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)c1ccccc1 1705841618 ALFIRWFYAIGLII-PZJWPPBQSA-N 439.604 4.819 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1705882073 KEOKYKBWOIGQOE-RBUKOAKNSA-N 433.478 4.749 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1722325317 HTLYOHIFPHAUJU-XLIONFOSSA-N 445.405 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722389386 SFKPMFGRQBICIG-JIPXPUAJSA-N 443.595 4.665 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOC(F)(F)F 1722389778 WFEGZRVZFSTYEG-UHFFFAOYSA-N 432.490 4.632 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC1CCC(C(F)(F)F)CC1 1722396804 KVHAYWXJDHHMJL-UHFFFAOYSA-N 446.492 4.840 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(CCC)CCC1 1722421970 UHBFTBJGVJZYLM-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CCC1CC1 1722505934 BLYHHSZGTVQZOE-MBSDFSHPSA-N 430.543 4.755 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCCCC1 1722594610 AUAUVCCDTJNSFJ-UHFFFAOYSA-N 448.615 4.955 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722600220 MDSYMRBDIOUAGP-RBUKOAKNSA-N 445.405 4.927 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1722606165 GMKYXLZMCCBWKQ-QFBILLFUSA-N 431.378 4.965 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCCc1nccs1 1722659279 RQBZZSPKDYZRSH-UHFFFAOYSA-N 434.544 4.761 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1ccco1)N(C)C 1722667123 ZVZXXPICMYTSIB-HSZRJFAPSA-N 442.567 4.876 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)cc(C)cc1C 1722678635 UKQKBCKGZSYWFG-UHFFFAOYSA-N 425.964 4.606 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2CC(OCC)C2)C1 1722719225 YVWQMMANABKJSU-SGDIKTSBSA-N 430.980 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCc3cc(OC)ccc32)C1 1722719617 XJMYMSIFYZMASC-IFMALSPDSA-N 438.616 4.777 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2ncccc2c1 1723777545 GHXKTFMRQPBADQ-NQSCKRDGSA-N 432.572 4.532 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1C(C)(C)C 1723793711 GRMBVYLAOWFGKX-XMSQKQJNSA-N 449.624 4.965 30 10 IJEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1730568939 DOKNDRPNPLIPCI-BHIYHBOVSA-N 433.478 4.583 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC)C1 1740571898 VZCOXOUWGNTUBH-HXUWFJFHSA-N 446.599 4.666 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(COCC)cc1 1740603290 MNNVNGJDQAYSIS-GOSISDBHSA-N 434.609 4.786 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCC1(F)F 1740630939 GRLHMBRSZFSYAP-NHCUHLMSSA-N 440.538 4.933 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(CCOC)CCCCC1 1740673307 OXTMWDPYSXFWSS-UHFFFAOYSA-N 433.600 4.797 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCCCC1 1740709139 JYFBKBSLOBFPLE-GOSISDBHSA-N 430.593 4.940 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(=C)CC1 1740721461 JUKFFTDLCHATLC-UHFFFAOYSA-N 437.396 4.687 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@](C)(CC)C1 1740787965 MVUBUEJSHZSIPW-XMMPIXPASA-N 444.645 4.874 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1740788355 TXGSATWXNOBSDM-APWZRJJASA-N 448.409 4.787 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(C)cc2C)CC1 1740837341 ZYSINXSATBFEOB-AREMUKBSSA-N 438.616 4.581 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2c(CC)noc2C)CC1 1740842155 ORFNTQBKFXMKBH-UHFFFAOYSA-N 435.572 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCOCC2(CC2)C1 1740846740 KBXABXWMJPCZQZ-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(c2cnn(C)c2)CC1 1740851166 WTEUHXWSNYUXMW-UHFFFAOYSA-N 448.615 4.619 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1740857478 NZRHVKJZSXUHEO-PZJWPPBQSA-N 430.556 4.664 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740860885 TWRMMWYABDIQKK-RBUKOAKNSA-N 429.996 4.993 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1740914051 ZXPNIJOXYXGZLA-MBSDFSHPSA-N 428.552 4.602 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1oc(CCC)nc1C 1740918389 PASSTKPIUFPWQW-OAQYLSRUSA-N 435.572 4.662 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1ccccn1 1740921632 ZTWNIWAILUXJLC-NRFANRHFSA-N 449.574 4.877 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CC1(N(C)C)CCC1 1740921729 GQUQKNNVFHVMER-UHFFFAOYSA-N 437.613 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1 1740924171 IYYGRJSFDPDERF-HXUWFJFHSA-N 425.627 4.804 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCc1ccccc1F 1740924385 PFEGTTPJLLWMSE-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CC1(C)CCOCC1 1740926335 ZMARERONTJKQHW-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1sccc1Br 1740929912 JRUBRLRWWQOYEM-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)CC#N)cc1 1740968994 RURDBFNZVQPRBX-VLCRHTCISA-N 437.588 4.548 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1748701310 GLGJYXBMRPJAHD-UHOSZYNNSA-N 444.421 4.865 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1748702428 HIVYNESSELJKIF-OAQYLSRUSA-N 447.583 4.542 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCc2ccccc21 1748735143 PLEPYSZFQJFELH-LJQANCHMSA-N 438.373 4.583 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)c1c(C)noc1C 1748770795 GKKGGKKDSIUGGS-QGZVFWFLSA-N 442.567 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1749131826 WCQGCZBEAKEFQK-QENXHYHDSA-N 443.680 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(C)ccc1F 1749133504 MLMIAKIMWJENFM-XXBNENTESA-N 440.588 4.996 30 10 IJEE COCC(C)(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N 1749273119 BUXVQIZMXBRCEN-INIZCTEOSA-N 438.601 4.646 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1749311317 MHWQTCWCEISYIA-CJFMBICVSA-N 440.588 4.760 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1749420750 BBPIRPPPPOKXST-IBGZPJMESA-N 431.462 4.836 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CCNC(=O)OC(C)(C)C 1749538651 YWAHJSFODXKMHO-UHFFFAOYSA-N 439.604 4.728 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1749762559 YBAIUPZCLAOLGF-WMZHIEFXSA-N 449.624 4.779 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1Cl 1750085317 ATVUIUXTOZGEKF-YVWKXTFCSA-N 429.996 4.689 30 10 IJEE Cc1ccn2cc(Cn3c(-c4ccc(C)o4)nnc3N(CCC#N)CCC(C)C)nc2c1 1751440384 HTOHVXFDHVLGIG-UHFFFAOYSA-N 431.544 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnn(CC)c1 1760107680 WLLNXQSJIIGYCB-MRXNPFEDSA-N 434.544 4.535 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nc(C)cs1 1760227267 AIUDUAOKAATRLU-UHFFFAOYSA-N 430.581 4.625 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCc2ccccc21 1760228935 XNGLEWPJVOHMSZ-INIZCTEOSA-N 441.398 4.959 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC(C)C)CC1 1760234713 RIWFMXTVYJYDBU-HXUWFJFHSA-N 443.636 4.678 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760275701 FPNYIBSCWKNUNZ-NRFANRHFSA-N 440.657 4.860 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1760291385 MYZBCWRPNKZNEK-WXTAPIANSA-N 448.567 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1760296465 RPJDPKSRYXUNDM-QFZRFWILSA-N 441.019 4.966 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760414902 IDRPWDGGVGNOJT-BHIFYINESA-N 438.616 4.937 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)=O)C[C@H]1C 1760423039 PJKZIICMNTZXGI-QZTJIDSGSA-N 441.645 4.545 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2CCC[C@H]21 1760447205 JMOLRNMKOMIPDE-IRFCIJBXSA-N 428.552 4.919 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCC1CCOCC1 1760492234 LNKQXOPTYPICNG-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760504307 NUNOAQPQNMRRGW-NTKDMRAZSA-N 446.039 4.748 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)C1CCC(C)CC1 1760534494 ZTKBCNYLTWJLPT-UHFFFAOYSA-N 431.584 4.892 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC2CCC(F)(F)CC2)C1 1760546209 KVRSLWYJJDDYLM-IBGZPJMESA-N 434.506 4.615 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21)N(C)C 1760980136 GTOJYECSVJFGPV-QVGHQYEOSA-N 434.632 4.808 30 10 IJEE CCc1cccc2c(CCn3c(-c4cccc(C)n4)nnc3N(C)C[C@@H](C)C#N)c[nH]c12 1762633645 AHRQCDFFTRJHJV-KRWDZBQOSA-N 427.556 4.531 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1C(=O)O 1857890823 FKSFELODCGDKEY-UHFFFAOYSA-N 446.519 4.844 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OC 1860728382 MFOMASRQXJXRHC-UXBLZVDNSA-N 430.504 4.691 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cccc(Cl)c2)cc1 1862391802 IRTCIDKEPGUQCO-BTYIYWSLSA-N 427.928 4.642 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1862435726 CSHVUWJHHXLIRX-IBGZPJMESA-N 438.823 4.620 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862450846 QKTQAFRGYJBTKF-KRWDZBQOSA-N 439.817 4.584 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(Cl)c1 1862547800 CNWQIXKNTISEOI-JOCHJYFZSA-N 439.939 4.834 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)c1 1862557863 PZRLDUSTTBXBNP-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 1862611232 FLQZISBQTAYUMM-IBGZPJMESA-N 448.302 4.751 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 1862673921 RCKOJDCQHVNOFD-OAQYLSRUSA-N 429.463 4.750 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc2ccccc12 1862757043 UADFWQFUSWDJPS-JOCHJYFZSA-N 430.460 4.982 30 10 IJEE CC(=O)c1cccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029809 WFLGMGZFTKVKKV-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@@H](C)N(CCCOC)[C@H](C)C2)nc(-c2ccc(C)cc2)n1 1869164950 CLFBIGVKUACZKK-DHIUTWEWSA-N 449.643 4.566 30 10 IJEE CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(C#N)nnn1-c1ccc(C(C)(C)C)cc1 1870144848 MXNHZXCPJONABY-KRWDZBQOSA-N 431.540 4.966 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870330906 RFYQNEOLAZOMQW-OAQYLSRUSA-N 434.621 4.773 30 10 IJEE CCCCCCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN(C)CCO 1870489608 LTEGCUUUUQSUBG-UHFFFAOYSA-N 428.617 4.829 30 10 IJEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(F)c(F)c1 1871085496 WEQCYGJEVVINAD-UHFFFAOYSA-N 426.463 4.773 30 10 IJEE CCCCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCO)cc1 1871253784 ILFCBFNEVNOHTI-UHFFFAOYSA-N 445.563 4.636 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)Nc1ccc(F)c(F)c1 1871440975 QJVSLGBGFNLHDD-NKVSQWTQSA-N 425.362 4.738 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 1871457240 WJPPLSIDSZQPKU-UCQKPKSFSA-N 445.471 4.646 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871459753 BKHUQEDYFJDCKY-MTJSOVHGSA-N 448.406 4.676 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)OCCOc4ccccc4)c3C)C2=O)o1 1871462001 IYHHURGRQNHHOX-HMAPJEAMSA-N 434.444 4.514 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491751 LOABWERNFNXILP-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872210274 ZUAOWWCOZCXOTP-HSZRJFAPSA-N 428.598 4.997 30 10 IJEE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CC(C)C)C2=O)cc1 1873424605 SZSAEUCJOPUYPN-UHFFFAOYSA-N 438.531 4.814 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3cccc(OC(=O)c4ccco4)c3)[nH]c2c1 1873504472 XLRSLOKSOHHZEG-UHFFFAOYSA-N 427.460 4.856 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N(CCO)CCCC)ncnc21 1873654890 BIXYCKFPJLPRTE-UHFFFAOYSA-N 449.599 4.766 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873664992 BOPKZQBOQDNTTD-CALCHBBNSA-N 433.556 4.669 30 10 IJEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccn2)cc1 1874346025 SMZRZYFOXPFFED-YZSQISJMSA-N 429.549 4.778 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc[nH]2)o1 1874396024 BMPPEBDEGMOPRI-FRQJIFLKSA-N 449.536 4.702 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc1OC 1874495136 WNVPEBYPLQBEHG-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCCO)c(OCC)c1 1874589473 NLJWMDWLAACDCW-UXBLZVDNSA-N 449.341 4.904 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OCC(=O)NCc1ccccc1 1874599054 SXEDJUOYSJYPIU-JLHYYAGUSA-N 429.516 4.903 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cccc(Br)c1Br 1992854574 KFEHYNVPWMRLFY-UONOGXRCSA-N 448.199 4.551 30 10 IJEE N#Cc1cc(Br)cc(N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1 1998964442 SOUISQCXKODDCL-MRXNPFEDSA-N 442.235 4.590 30 10 IJEE CCCCC#CC[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024378269 HGVRHAZRZSKRGP-OZXSUGGESA-N 427.633 4.718 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](O)c1ccc(Br)c(Cl)c1F 2036851282 KTXYSXBNADYWJA-RTBURBONSA-N 428.729 4.636 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@H]2C[C@H]1CC21OCCO1 2048160964 MKAIGDODZUECID-BXTJHSDWSA-N 449.345 4.626 30 10 IJEE N#Cc1c(C(F)F)nn2c(N)cc(-c3ccc(C(F)(F)F)cc3Br)nc12 2081199025 HWYFXUJUCMASEL-UHFFFAOYSA-N 432.150 4.569 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 2102887309 RTFSXXSVACPIBO-SJORKVTESA-N 443.813 4.930 30 10 IJEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1C#N 2118194016 HLPFYTOXCOEOPP-ZDUSSCGKSA-N 426.330 4.543 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 2145544580 QSSYFGMOCJVROL-MSOLQXFVSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2cc(Br)cc(C#N)c2)CC1 2174812873 PVCJQMXWSQMENO-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(c2cc(Br)ccc2C#N)C1 2174815734 WNPHWYRVYLTBIA-WMZOPIPTSA-N 434.378 4.937 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC(CC#N)CC2)cc1NC(=O)OC(C)(C)C 2181047356 ORDRABUFRVSPDM-UHFFFAOYSA-N 436.350 4.870 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2214836328 JLJKNVMZPGUTQA-GCKMJXCFSA-N 436.557 4.852 30 10 IJEE C=CCC[C@@](C)(O)C(=O)c1sc(Br)c(Br)c1Br 2216403278 VLJGOONQKYWSFM-LLVKDONJSA-N 446.986 4.936 30 10 IJEE CC(C)[C@@](NC(=O)OC(C)(C)C)([C@@H](N)C#Cc1ccccc1Br)C(F)(F)F 2235717775 BVGASDKPDFJEHD-MAUKXSAKSA-N 449.311 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@H](N)C#Cc1ccccc1Br 2235733881 PCAAUQZHEATMRJ-RTBURBONSA-N 433.390 4.698 30 10 IJEE C=C(CS(=O)(=O)N(Cc1ccccc1)CC1CCCCC1)B1OC(C)(C)C(C)(C)O1 2247963641 YOHZYTUBSHDPRZ-UHFFFAOYSA-N 433.423 4.586 30 10 IJEE CC1(NC(=O)OCc2ccccc2)CCC(N)(C#Cc2cccc(Br)c2)CC1 2264120218 PKSKBHGSBYRIBY-UHFFFAOYSA-N 441.369 4.757 30 10 IJEE O[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)o1 2264171764 DUBXDNIBWRZWRQ-LLVKDONJSA-N 434.909 4.652 30 10 IJEE CCN(Cc1ccccc1NC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267097908 UBUOPCFAYKWRCK-ROUUACIJSA-N 444.381 4.864 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1 2268637457 MTILYASLLMTFQR-SFHVURJKSA-N 446.328 4.623 30 10 IJEE C=CC[C@@]1(COc2c(N)ccc(F)c2Br)CCCN1C(=O)OC(C)(C)C 2272241593 CHUZNOWIOIQJJZ-IBGZPJMESA-N 429.330 4.895 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@H](N)C#Cc2cccc(Br)c2)s1 2278725945 RPXGUMVZGYUCRQ-OAHLLOKOSA-N 436.375 4.564 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2cccc(Br)c2)cs1 2278737664 NANAGKJUXQLKLK-LBPRGKRZSA-N 435.343 4.726 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](N)C2 2285828587 JXVRYZMOJWKBSD-SFTPYQMYSA-N 434.378 4.990 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](N)C#CC1CCCCC1 2289688610 WARQYCMWMWFTMS-VQTJNVASSA-N 435.406 4.796 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(O)c(OCC)c2)C1=O 2294017464 UOCLJSWHCGGXCY-UHFFFAOYSA-N 445.924 4.988 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]12CC[C@@H]1CCN2C(=O)OC(C)(C)C 2296218008 ZVUDKHXLXHFGQL-SFGWALBWSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296231675 GYGFNDDMDWUSSZ-JUXOCIIHSA-N 433.390 4.698 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2296278747 HLKQKNSMVGZOIJ-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2296294885 YMMGDYKIQRJVHJ-YSIASYRMSA-N 435.406 4.862 30 10 IJEE CCOc1cc(C=NN2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1Cl 2321708951 WMOOYZLIYLWUKQ-UHFFFAOYSA-N 434.879 4.948 30 10 IJEE Cc1c(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccccn1)C2=O 2323437355 YTUGEVWPWROJRB-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1sccc1C)C2=O 2325566622 AOTIDZMUHSNZRT-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)C=Cc2ccccc2Br)c1 2325603948 XQOMVVMBQNKPRN-UHFFFAOYSA-N 430.298 4.627 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325735894 NHPCLSZGQFQNFN-UHFFFAOYSA-N 427.456 4.885 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc2ccccc12 2327880749 QZVNZIMKNPEKFM-IBGZPJMESA-N 435.597 4.930 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2N=Cc2cccc3ccccc23)cc1C 2328809302 FQLBDDWULCAYBJ-UHFFFAOYSA-N 432.549 4.594 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2329121036 KPIAGBWCLWUJSU-UHFFFAOYSA-N 428.945 4.700 30 10 IJEE CCOc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCC)cc1OCC 2329177617 CHYUGWBBMBNKSZ-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE CSc1nnc(COCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2329301578 RAEJCSADTIVFTN-UHFFFAOYSA-N 435.322 4.501 30 10 IJEE Oc1ccccc1C=Nn1c(CCc2ccccc2)nnc1SCCc1ccccc1 2330197065 DAECFJOIBMPIGD-UHFFFAOYSA-N 428.561 4.986 30 10 IJEE CCOc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)c1 2330899629 HHQSMZDLCGLZIZ-HXUWFJFHSA-N 426.517 4.842 30 10 IJEE COc1ccccc1OCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccccc2)cc1OC 2331165122 YZDWOGGYCCYIAZ-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 2331180176 BCONFHALCNEHHC-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CC#CCN(C[C@H](Cc1cccc(Cl)c1Br)NCC)C(=O)OC(C)(C)C 2337910637 QKWHCYDYUXYFAW-INIZCTEOSA-N 443.813 4.884 30 10 IJEE C=CCCC1([C@@H](N)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2339212713 AUDJLTPGSHCXJM-KRWDZBQOSA-N 425.367 4.661 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582224 PTKFLGCBKHEPCB-SFHVURJKSA-N 443.397 4.784 30 10 IJEE Cc1sc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c(C)c1Br 2342484098 ZMPATDDGAKDPBL-SFHVURJKSA-N 428.201 4.826 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@@H](O)C#Cc3ccccc3Br)CCC[C@H]21 2358758677 SRVFAHBZLWRRJW-CUDHKJQZSA-N 434.374 4.587 30 10 IJEE C=CCC1([C@H](NC)c2cc(Br)cc(COC)c2)CN(C(=O)OC(C)(C)C)C1 2362287229 AOGXEAFTBBPEFA-GOSISDBHSA-N 439.394 4.669 30 10 IJEE CC#CCCCC[C@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366642733 RIEZCMKZILZDAP-JSGCOSHPSA-N 425.763 4.601 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Oc2nc3c(cc2C#N)COC3)ccc1Br 2370341661 KMMDUZITQWPKMY-UHFFFAOYSA-N 432.274 4.885 30 10 IJEE Cc1cccc(N2CCN(/C(=N\c3ccc(C(=O)O)cc3)NCc3ccccc3)CC2)c1C 15782719 KJSQLYAPXDGXTJ-UHFFFAOYSA-N 442.563 4.601 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)c(OC)c1 33904339 LMFTUCGSCRFBMF-SAKZYSIXSA-N 428.440 4.939 30 10 IJEE CCOc1cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc(Br)c1O 96401365 BALNMBIKTWLAKD-HJWRWDBZSA-N 430.298 4.576 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)cc1OC 96565392 WSZDQSQWESTNFD-OWBHPGMISA-N 433.508 4.760 30 10 IJEE C[C@@H]1CN/C(=N\c2c(Br)cc(Br)cc2Br)SC1 96874291 HUFBFAVYYXUIOT-ZCFIWIBFSA-N 443.002 4.934 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCCC)cc2)S/C1=N/c1ccc(F)cc1 104220592 LHOQCAABFFVFRQ-UAPGPWSHSA-N 441.528 4.761 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1OC 169951357 JLODQKDWXWGPOS-JOCHJYFZSA-N 435.520 4.842 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2F)ccc1F 170072835 XHAZGZFERGSZCI-OAQYLSRUSA-N 445.425 4.932 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1 170122592 GJRTVPOPOFYYSY-UPCLLVRISA-N 441.483 4.802 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)c1 170131934 LXRJLVIKGHWKQO-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1 170132060 DZENDSHQBGBJIW-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1cccc(C)c1 170147048 WRIQACDBYHADPF-FQEVSTJZSA-N 429.900 4.654 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccn2)cc1C 170167800 AUXWOEFNRZIUBH-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccn2)cc1 170171054 UKBKLPMBOQIRLN-GYCJOSAFSA-N 440.499 4.750 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccncc1 170210953 DUXVCUKJTSDXSN-IBGZPJMESA-N 443.341 4.921 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccncc1 170211942 LHQYAHNYLOMBHB-JOCHJYFZSA-N 434.536 4.909 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170266273 DTYPOCFOYRROGH-HSZRJFAPSA-N 447.487 4.638 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccco2)c1 170278714 WJBXOXWYZQILNJ-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1C 170311321 IYVKHLSGUSDTBG-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(C)[nH]c2ccccc12 170311975 JXBMGDQVQNJZHT-QFIPXVFZSA-N 432.476 4.583 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1)c1cccs1 170354255 BCCGDDLELKVRPM-JOCHJYFZSA-N 445.544 4.916 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170467551 MRXPEBBMOCWWOQ-QFIPXVFZSA-N 435.520 4.880 30 10 IJEE Oc1ccc2c(c1)Oc1ncn3nc(CON=Cc4ccccc4)nc3c1[C@@H]2c1ccccc1 254498395 BKJFEKHXUXKSGZ-HSZRJFAPSA-N 449.470 4.667 30 10 IJEE N#Cc1ccc(NC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)c(Cl)c1 437800171 MGJOSSSXIHPEKG-KRWDZBQOSA-N 429.908 4.817 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 460800087 QTFFNZTVAJVLOS-NRFANRHFSA-N 448.523 4.512 30 10 IJEE COc1ccccc1Oc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1F 504097837 YACKLGHJCJYVDZ-QHCPKHFHSA-N 428.460 4.827 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Oc2ccc(F)cc2)CC1 508491419 TYFOIBDPUGMZJS-KRWDZBQOSA-N 440.494 4.930 30 10 IJEE O=C(c1ccc(OCC(F)(F)F)cn1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 512372022 PKAAQFFHOJIBDA-QGZVFWFLSA-N 436.327 4.752 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)s2)cs1 540980348 DULOTESDQFUGCJ-UHFFFAOYSA-N 438.513 4.698 30 10 IJEE CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H](C)Cc1ccc(OC)cc1 561403608 GJFBVUVTUMLKAI-QGZVFWFLSA-N 425.598 4.789 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 563977696 NRRBLZVYJOFDBW-GOSISDBHSA-N 445.386 4.923 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)c1ccc(Br)cc1 586214691 KUKQJNQUANVHKM-UHFFFAOYSA-N 437.359 4.574 30 10 IJEE C=CCC1([C@H](NC)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 722942395 SABNPZKISCSYKN-MRXNPFEDSA-N 431.321 4.801 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C#N)CC1 730216975 XOBPQTLBIFXONC-IQGLISFBSA-N 445.563 4.702 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2c(F)cccc21)[C@H]1CCOc2ccc(Br)cc21 733344065 SRWNBQZOCHSVIV-UXHICEINSA-N 443.316 4.744 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=S 742173546 ZAJZDTVGLBHSLX-UGKGYDQZSA-N 435.597 4.698 30 10 IJEE N#Cc1cc(C(=O)OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)ccc1Cl 754920829 MFMSVLDKVVFKRZ-JOCHJYFZSA-N 430.891 4.543 30 10 IJEE C=CCn1c(SC2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1ccc(OC)cc1 764991835 YHKLCZBIAQIIPY-UHFFFAOYSA-N 430.574 4.631 30 10 IJEE Cc1ccc([C@](O)(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C(F)(F)F)o1 773399042 CJZUMBQAGJCHBC-HXUWFJFHSA-N 434.439 4.645 30 10 IJEE O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1(C(F)(F)F)CCOCC1 776970830 WIIZCPKXTLTSQP-OWOJBTEDSA-N 435.286 4.965 30 10 IJEE CC1(C#N)CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)CC1 780779299 WNPYKACNMGRCNO-UHFFFAOYSA-N 435.325 4.825 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 802575229 KVZVKOAXWLRFJC-IBGZPJMESA-N 429.012 4.662 30 10 IJEE CC(C)/N=C1\N(C(C)C)C(c2ccccc2)=C2C(=O)C(=O)O[C@@]2(c2ccccc2)N1C(C)C 1088695855 WYGBQUHHJFCULZ-UUALVTFQSA-N 445.563 4.575 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 1125699209 UIXQLABDYYWUFO-FQEVSTJZSA-N 439.350 4.742 30 10 IJEE C#CCOc1ccc(COC(=O)c2coc(-c3ccc(Br)cc3F)n2)cc1 1127866933 GAAKOPRMLRSCGF-UHFFFAOYSA-N 430.229 4.612 30 10 IJEE C=CC1(CC(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)CCCCC1 1128390650 ZIMRSUQTVBONBC-UHFFFAOYSA-N 427.408 4.502 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](CCCc4ccccc4)C3)n[nH]2)c1C 1137663147 WFAWHSKAGUZCTL-JOCHJYFZSA-N 431.584 4.951 30 10 IJEE C=C(CNC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1ccccc1 1141791077 GNWXHXWQJWFGHZ-UHFFFAOYSA-N 427.570 4.701 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnc3c(c2)c(C)nn3C)cc1OCC 1178330687 HGDQHTJKCBXYCP-UHFFFAOYSA-N 431.334 4.615 30 10 IJEE C=CCn1c(SCc2cc(O)ccc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 1188291389 GTRUOTAGVDORDN-UHFFFAOYSA-N 447.314 4.800 30 10 IJEE N#Cc1ccc(C2CCN(S(=O)(=O)c3ccc(Br)c(Cl)c3)CC2)cc1 1189164485 BFJNRLDLGUBLOG-UHFFFAOYSA-N 439.762 4.542 30 10 IJEE Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1191155508 GMVWGQHVAOMURG-NQIIRXRSSA-N 430.552 4.743 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 1197283353 ARWJRXINOMVPJR-MAUKXSAKSA-N 427.998 4.627 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccccc2)cc1Br 1197570825 FVXXACAGLXIUKT-QGZVFWFLSA-N 430.302 4.791 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 1201297469 HDSIBECCRQFMDP-VBKZILBWSA-N 436.405 4.850 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1cc(Br)cc(I)c1 1207990442 RQEGZBXMGRRYHI-SNVBAGLBSA-N 437.119 4.920 30 10 IJEE C#CC1(NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCCC1 1228404004 QXJXDFOUSFQTNX-UHFFFAOYSA-N 431.851 4.925 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1264399138 NLWLWBYWORATPA-GOSISDBHSA-N 447.000 4.589 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1264799714 QGHRYJAGKVIFKD-NRFANRHFSA-N 426.479 4.710 30 10 IJEE CC(C)[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)OC(C)(C)C 1277455507 HDZMARRVZDVXJE-IBGZPJMESA-N 426.488 4.833 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCC1(C)C 1286403945 MYXULMIBKZYMCZ-INIZCTEOSA-N 443.364 4.746 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1cnc(C)s1 1286449800 HLLSBAITSNZBBT-UHFFFAOYSA-N 444.004 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(OCC)CCCC1 1286519627 YVLIHAZRWJHENO-NTKDMRAZSA-N 440.563 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C)CCOCC1 1286569120 DONVNFWVRIBLQY-UHFFFAOYSA-N 442.604 4.960 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1286648993 OJVLSGRRLSDTRM-ZEQRLZLVSA-N 435.660 4.978 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2=CCCCC2)CC1 1286650406 AXLAAFYERJKXTR-BGYRXZFFSA-N 427.593 4.706 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1286679581 ROSOAVBCDZUWJP-JYFHCDHNSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccoc1 1286686028 AHDVUAYPEOXPGY-UHFFFAOYSA-N 443.592 4.978 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1286835215 SYFRNMOSLIIZAQ-OALUTQOASA-N 432.659 4.723 30 10 IJEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccs1 1291794762 DCCKBBQYUNNPJY-PXNSSMCTSA-N 448.596 4.525 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1ccco1 1300424903 OQKFIFOHVPOXQY-MOPGFXCFSA-N 439.560 4.698 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(Cl)s1 1300472816 KEZDFRHBYBWEGM-UHFFFAOYSA-N 428.989 4.987 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(OC2CCCC2)CC1 1300884868 MLAVIHHKFQQGLG-AUSIDOKSSA-N 430.637 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCCC1 1300899843 JSOFXSFEIYNAJJ-JOCHJYFZSA-N 425.621 4.923 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](Cc1ccccc1)OC 1300905678 CIJSAOHZZVXZDQ-FQEVSTJZSA-N 425.964 4.654 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCN2CC)CC1 1301105117 DQMYEPVTLVGKDK-UGKGYDQZSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301176553 DDCBQKGNAOCYTE-YADHBBJMSA-N 435.616 4.846 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301214878 KCNZUZDVJALSJG-GMAHTHKFSA-N 430.600 4.796 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1CC1CCCCC1 1301349440 LVSFFNKHFMCDSV-VWLOTQADSA-N 442.579 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCOc1c(C)cccc1C 1301360174 WKNZGRUBVRXFHV-UHFFFAOYSA-N 446.580 4.685 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@H](CC)C1 1301606124 JNIUFURSQVEGII-QGZVFWFLSA-N 427.643 4.688 30 10 IJEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1cccs1 1304887945 GWMMRUVPIIBVRZ-INIZCTEOSA-N 448.552 4.641 30 10 IJEE CC(C)(C)c1cc(NC(=O)NCc2nc(C(F)(F)F)cs2)n(-c2ccc(C#N)cc2)n1 1310722094 HPYWQECAYDWWJH-UHFFFAOYSA-N 448.474 4.838 30 10 IJEE C=CCO[C@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)C1 1320964159 SCDFKLNSEOKGTR-KGVIZRLGSA-N 439.440 4.912 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2ccccc2)C1 1321456952 HDBKASSPAMBRTL-TZIWHRDSSA-N 436.531 4.581 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nnc([C@@H](C)Oc4ccc5ccccc5c4)o3)cc2C1=O 1346613817 KHRBTBXLLCQQKN-OAHLLOKOSA-N 425.444 4.812 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)s1 1350714776 HAEHFFJYAGCOAF-HNNXBMFYSA-N 448.017 4.639 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)c2C#N)C1 1350718944 GOZMFMKGCXVQTC-OAHLLOKOSA-N 430.533 4.573 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)Cc2cccnc2)cc1 1351335525 FCAKGIAKXBHLLY-UHFFFAOYSA-N 425.941 4.806 30 10 IJEE C=CCCn1cc(C(=O)Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)nn1 1351601284 SSKCCNNBDOESBJ-UHFFFAOYSA-N 444.413 4.653 30 10 IJEE C=CCC1(C(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)CCOCC1 1358352902 OCZZAHQJBBUBOC-UHFFFAOYSA-N 439.512 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1(c2ccccn2)CCC1 1358899034 FUMLVYLYBJCOLY-IBGZPJMESA-N 447.608 4.554 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)CN1CCCCC1 1359001664 ZRGCVRXDOCWZLU-UXHICEINSA-N 444.023 4.653 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1359004810 KOWLLPNYIVKAPT-OAQYLSRUSA-N 444.645 4.978 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC)CCCC1 1359007674 QZZXGEQAEYZGGO-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)CC[C@H]1C 1359096200 YBFKYBIGACCKAQ-ZQAYVECASA-N 440.588 4.568 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1359118372 FRXITXBICYIDSM-SFHVURJKSA-N 426.561 4.706 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C1CCC(NC(C)=O)CC1 1359118837 GRZGRDCJJFOOTM-UHFFFAOYSA-N 441.645 4.735 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1359152042 KXHYNSOSXLTDAA-RBUKOAKNSA-N 436.934 4.684 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1359166933 MNVWFGMKCNGZLM-VXKWHMMOSA-N 439.623 4.923 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1Cc1ccnc(OC2CCCC2)c1 1359243828 GKHKRKBHQNBBMX-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ncc(CC)s1 1359243896 IEFNWKNFNNQHAC-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1 1359275933 LMGIMQNZMRTHMI-UHFFFAOYSA-N 448.546 4.777 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCS1 1359278261 OJEOJVJLLLNDTM-FQEVSTJZSA-N 443.642 4.748 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359338814 IQKFFVGJIJNKPN-KXBFYZLASA-N 436.984 4.662 30 10 IJEE C=CCn1c(SCC(=O)N2CCS[C@@H]3CCCC[C@H]32)nnc1-c1ccc(Cl)cc1 1361179227 PXFIXBZZTDWSNM-QZTJIDSGSA-N 449.045 4.763 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C)c(Cl)cc1I 1434953910 NUHBNJJSXYXHCQ-UHFFFAOYSA-N 441.671 4.668 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1ccccc1OC)[C@H]1CCOc2ccc(Br)cc21 1435174091 DISQZLQGBPTBSO-VISDOYDDSA-N 440.337 4.847 30 10 IJEE C=C(C)C[C@H](NC(=O)Cc1sc(-c2cccs2)nc1-c1ccccc1)C(=O)OC 1438399034 GASPOAOHGPGXBW-INIZCTEOSA-N 426.563 4.705 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@H](CF)C2)nnc1-c1ccc(Cl)cc1Cl 1455230118 XTSFSMLTXIGPIR-ZDUSSCGKSA-N 443.375 4.738 30 10 IJEE C=CCCC[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)C(=O)OC 1455835925 NECNWYMGGSCHTD-LBPRGKRZSA-N 430.751 4.945 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](c3ccccc3F)C2)n(C2CCCCC2)c1C 1459424431 HGFLMOIQOGMSJV-HSZRJFAPSA-N 438.547 4.633 30 10 IJEE C#C[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1460786688 JHFKZEYPLSTHDN-GOSISDBHSA-N 438.808 4.729 30 10 IJEE C=CCOc1ccc(CN[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1OC 1461376506 AWEJUCPTZQQDEK-RDPSFJRHSA-N 446.950 4.893 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)CCCN1C(=O)OC(C)(C)C 1465802206 WSXHOVRSZGUZSR-LVXARBLLSA-N 447.664 4.835 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 1465802813 SDJCKMDOQDQTCE-SFHVURJKSA-N 440.931 4.888 30 10 IJEE C=CC1(CC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)CN(C(=O)OC(C)(C)C)C1 1466033425 GNGGWWBQDSKUOL-OAQYLSRUSA-N 441.959 4.754 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccc(Br)cc1Cl 1474841567 DLEVWHGLDSFXAH-UHFFFAOYSA-N 441.778 4.716 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)Cc1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 1478273604 ZNEQLDCVWLJPQH-GOSISDBHSA-N 435.494 4.872 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1478552437 DTXGNCZZAPCLBK-BEFAXECRSA-N 435.446 4.673 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1478951793 MCQHJHFKKCCXTL-CIAFKFPVSA-N 443.563 4.811 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1492636725 FRUUBYDJZHPHLD-HJPURHCSSA-N 431.569 4.515 30 10 IJEE CCO[C@H](CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)C(C)C 1502577515 AZJAEWIJZKHJPY-PMOQBDJRSA-N 439.604 4.692 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCc1csc(C(C)C)n1 1507526292 LOKJUHOWIZYOGY-QGZVFWFLSA-N 430.581 4.774 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1cccs1 1507578857 DEZQSXREUZTDNO-UHFFFAOYSA-N 432.391 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@H]1C 1507664439 RLJACHMWKKFNGR-YLJYHZDGSA-N 439.401 4.915 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(C)C)C1 1507757751 BPNSJQXQVYJBOG-LJQANCHMSA-N 444.670 4.818 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CC[C@@H](OCC)C(C)C 1507763454 VRQDNOYYJJQZAT-ZEQKJWHPSA-N 431.584 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H]1C 1507793481 AOKSCEWEJKNNPV-CIWUYKSXSA-N 445.405 4.924 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@](C)(OC)C2CC2)CC1 1507877790 PKWKVXAYHDETGT-NRFANRHFSA-N 449.368 4.818 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC[C@H]2CCCCO2)CC1 1507881551 ODSPIELHVPAYHP-LEWJYISDSA-N 440.588 4.932 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@](C)(O)CCC(C)C)CC1 1507889847 ZHITXJHFRRRWEZ-RUZDIDTESA-N 426.605 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)c2ccsc2)CC1 1507899499 JSMUFLWWXHEJGD-QFIPXVFZSA-N 428.989 4.970 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507944212 PSEMBQMCQSPBTD-RTWAWAEBSA-N 425.577 4.501 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2ccc(F)cc2)C1 1508113834 AYVUGTBJOKDGAZ-OXJNMPFZSA-N 441.938 4.718 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1 1519761290 ITHXACYRCYCPAL-UHFFFAOYSA-N 425.357 4.963 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(I)c2)cc1OC 1520809154 FIPOGAUQVVNUNL-SOFGYWHQSA-N 449.288 4.825 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1525312016 KGYAVTYDXZFCBX-UHFFFAOYSA-N 440.609 4.858 30 10 IJEE C=C[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 1529851566 YWMHABFCZITHMZ-BQUCVHFLSA-N 427.548 4.718 30 10 IJEE C=CCCC1(CNC(=O)c2cnn(-c3ccc(Cl)nn3)c2C(F)(F)F)CCCC1 1532340884 ULVBXLWRPKZFFB-UHFFFAOYSA-N 427.858 4.591 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccccc1C(=O)OC 1536694731 NDFRTMXYCBNXKM-UHFFFAOYSA-N 434.305 4.522 30 10 IJEE COC(=O)[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cc(C)cc(C)c1 1538040325 CYVQSXQIOGTHRM-QHCPKHFHSA-N 430.529 4.970 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 1538489349 MJAFJCLIDBJFOC-WOJBJXKFSA-N 449.661 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1sc(C)nc1C 1538972763 LKQYIHDNYCQCGQ-GOEBONIOSA-N 444.004 4.845 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C(C)(C)C)cc1 1539006759 PVMOSAZEONOPDA-GOSISDBHSA-N 442.506 4.710 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1539350475 MVDGTMLVUCBTGN-QGZVFWFLSA-N 432.515 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCCC1 1539557520 WEFAEPGUGJNWTC-RUZDIDTESA-N 441.620 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCSC1(C)C 1539569216 LNCXMSRYKOHJKW-GAJHUEQPSA-N 428.577 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCO1 1539622943 YWHFHBIGTVCMGM-WWNPGLIZSA-N 438.616 4.839 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1539921272 UCAURBAFBWZVKZ-ZWKOTPCHSA-N 430.543 4.612 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1540029313 PMNZMQOCIVBXJT-WMZHIEFXSA-N 438.616 4.839 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCC[C@H]1CCCCO1 1540121883 OFYDFLGWZZVWPG-HSZRJFAPSA-N 444.583 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(C)(F)F)cc2)C1 1540886427 CQKLHJDBXTVDNC-LJQANCHMSA-N 428.483 4.788 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(NCc3cncs3)c2)cc1 1542327185 VZWCIVHDIVTRQX-UHFFFAOYSA-N 432.549 4.822 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 1543312047 YICFHJLFUAKCGL-UHFFFAOYSA-N 441.380 4.509 30 10 IJEE Cc1nc(SCC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c(C#N)c(C)c1C 1543851675 DXPQMFMHFFTFIW-NRFANRHFSA-N 443.016 4.577 30 10 IJEE C#C[C@@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CCC2 1556310441 XMNARNPHOSISQN-VXNZKSKFSA-N 426.516 4.880 30 10 IJEE C=CCn1c(SCN(C)C(=O)OCC(C)C)nnc1-c1ccc(Br)cc1 1559333657 BILDQVFOVANEKW-UHFFFAOYSA-N 439.379 4.668 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)C1 1560135941 GJPXZJJFVVYRFN-OAHLLOKOSA-N 430.957 4.529 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](CCOC)c1cccc(C(F)(F)F)c1 1564756594 WSJBDELACJKNTG-FQEVSTJZSA-N 440.462 4.656 30 10 IJEE C=CCn1c(SCC(=O)N(Cc2ccccc2)OCC)nnc1-c1ccc(Cl)cc1 1570140273 KQMKZMCEYLDKCZ-UHFFFAOYSA-N 442.972 4.857 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 1583630543 CYIOYHCYRXMSIC-MRXNPFEDSA-N 435.351 4.748 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(C(=O)OC)n1)c1ccc(C)c(C)c1 1585492223 FWOILITUKTWUBJ-UHFFFAOYSA-N 430.504 4.897 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](OC)C(C)(C)C1 1587711592 BGPRQWBSZJCONZ-GOSISDBHSA-N 449.368 4.511 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)[C@H](C)CC 1587909395 JYQLOGPUDPQPPM-STSQHVNTSA-N 432.996 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C)C(C)(C)C1 1589556142 AEZKKOMGFHGHTR-IMSXRSKXSA-N 438.616 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589559972 WBXMXMJLSUQTAM-MNDCFMPDSA-N 448.533 4.717 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1593649867 CPHNDNUDOGFYRP-IBGZPJMESA-N 444.352 4.750 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1593717022 ARRVDAXHCJLNPP-UHFFFAOYSA-N 448.615 4.522 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ncc(CC)s1 1594906834 LXNLPLUHWCNYAZ-UHFFFAOYSA-N 432.391 4.705 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCCc1cccc(F)c1 1595162019 SVFCPOQKQBUBOK-IBGZPJMESA-N 426.561 4.808 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1595303384 RRYCWDFTIAPRBX-IRXDYDNUSA-N 428.524 4.863 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1596960630 DZQBPZWXOJYOIO-SEVLPDGMSA-N 430.976 4.946 30 10 IJEE C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)Oc1cccc(F)c1 1611596985 FYLBVJVMAIAISZ-MHECFPHRSA-N 425.552 4.747 30 10 IJEE C[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1612996975 HTEFPTJTCIRLLS-QAPCUYQASA-N 441.988 4.841 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1622944697 AFEXGZDKHZDOGD-USJWYILFSA-N 446.617 4.536 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccc(Br)cc1 1623093783 INOUWQVMPUPDMH-WINIVTDRSA-N 447.398 4.992 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2cc(C(=O)OC)sc12 1625148649 VXAPXDJVQQYNPK-INIZCTEOSA-N 432.542 4.876 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 1625882227 WNRYSECHOFTWCJ-FQEVSTJZSA-N 432.524 4.555 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CN(C(=O)OC(C)(C)C)C1 1631111405 LBIDAQLTOXROMD-UHFFFAOYSA-N 441.572 4.501 30 10 IJEE C#CCN(C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@H]1CCCc2ccccc21 1635884462 JYHMSKSSUUTREC-YWZLYKJASA-N 429.347 4.651 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1638782571 APIOAOUMTZWOMU-MRXNPFEDSA-N 442.478 4.790 30 10 IJEE N#CC[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)C1 1640337082 GIBGIBFJLWLAGR-OAHLLOKOSA-N 435.325 4.825 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1ccc(F)cc1F 1641674618 CEFHKDWTPUEWDK-GFCCVEGCSA-N 427.264 4.882 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccc(F)cc2)C(F)(F)F)n(-c2ccccc2)c1C 1642987869 HURFKWIFZHBSSX-NRFANRHFSA-N 444.432 4.937 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](c3cccc(F)c3)C2)n(C2CCCCC2)c1C 1644514971 HHANNOHDYWLNOG-QHCPKHFHSA-N 438.547 4.633 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 1653275613 TVMVTSCGXOPLSE-FQEVSTJZSA-N 431.964 4.910 30 10 IJEE C=CCCCN(CC)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 1653314204 ZSKGVRGLILRWNC-UHFFFAOYSA-N 431.330 4.835 30 10 IJEE COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H]1CCc2cc(C#N)ccc21 1659672722 HZVPLUXYKRNQLC-HXUWFJFHSA-N 441.318 4.614 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)cc(Br)c1 1663084267 HRMNLHUOAZFMEE-NHYWBVRUSA-N 437.197 4.625 30 10 IJEE C#CCOc1cccc(Cl)c1CN(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 1663850951 YMPXDACKHPNNRC-UHFFFAOYSA-N 425.935 4.956 30 10 IJEE Cc1ccccc1[C@H](CO)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1666208932 BGUZWJKMRDLDKT-VWLOTQADSA-N 429.520 4.837 30 10 IJEE CC(C)(C)Oc1cc(F)ccc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1669455503 FOIHJZLQAMFHLX-UHFFFAOYSA-N 430.911 4.882 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(F)c(Br)c2F)cc(OC)c1OC 1671902112 VTBBEGPAUCJUOJ-UHFFFAOYSA-N 441.272 4.795 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc(Cl)cc1F 1673241528 UVKDEAHXUZFFHF-IBGZPJMESA-N 440.931 4.994 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 1674026317 WVSVMFRBZRNPFO-QGZVFWFLSA-N 425.248 4.984 30 10 IJEE C=C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)CC1 1674296134 JPWLZCSZBBKDOF-VXKWHMMOSA-N 443.588 4.540 30 10 IJEE C=CCC1(O)CCN(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)CC1 1675006430 TXOCCPJBQMPYMU-UHFFFAOYSA-N 433.596 4.562 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccccc1 1679189361 DDGCOZXYKJCWKP-SFTDATJTSA-N 426.358 4.800 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1)c1ccc(F)c(F)c1 1681553407 YKRLAMDVDBGPQH-PBXXJUDPSA-N 425.523 4.746 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Br)c1)C(C)C 1681567944 LNDPMXOUSFHRJA-SFHVURJKSA-N 428.802 4.600 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)CC2)cc1 1682201402 GFAJHHOIHJWWAU-FQEVSTJZSA-N 441.362 4.943 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC1CC(OCC)C1 1689833255 GLWKLMNKQDFTMP-HPUBIQBYSA-N 449.368 4.510 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(c2ccc(F)cc2)CC1 1689952471 GVIAMMLIPDSNST-UHFFFAOYSA-N 445.361 4.709 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCC 1690196121 ZBTMXOXMFAONEL-XUZZJYLKSA-N 426.008 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1690241220 QBSNSWCJFHKSLD-GMAHTHKFSA-N 431.540 4.806 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(Br)c1 1690290559 OPNBCTYBPSJPQC-UHFFFAOYSA-N 432.391 4.609 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC(=O)N2CCCCCC2)CC1 1690404415 CSDVAYVJIQFRLT-UHFFFAOYSA-N 435.616 4.703 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1690404926 XZYUSOYZIPWDRO-KRWDZBQOSA-N 432.515 4.800 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 1690444193 BYMWQJHRGKCYEZ-TZIWHRDSSA-N 439.604 4.646 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1cc(Cl)ccn1 1690506686 XRGSGTHVADVMJY-UHFFFAOYSA-N 436.947 4.704 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCc1ccc(OCC(F)(F)F)nc1 1690519709 UXFZYGKJYFNCFP-UHFFFAOYSA-N 445.489 4.709 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCCc1nnc(C)s1 1690563138 HULQIYOBSZUBTH-UHFFFAOYSA-N 434.569 4.832 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]2CCCC[C@H]2C1)C(C)C 1690583416 JVIMAWFKZGUIJG-UEQSERJNSA-N 441.664 4.845 30 10 IJEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)Cc1cccs1 1692674278 ICJVBVNQRWHNSI-MSOLQXFVSA-N 435.597 4.761 30 10 IJEE CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(CC)CC 1694868990 CDFRZYGLYZDELI-VXKWHMMOSA-N 432.572 4.872 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC1CC(F)C1 1705654146 YVGIEAPTUAZVKA-HDYDNRTBSA-N 430.593 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC=C(C)C1 1705695602 IYMBYRRXXZULKK-QUCCMNQESA-N 443.389 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)c1cc(C)oc1C 1705719523 BKFQVVNYZCWBHB-VWLOTQADSA-N 438.572 4.685 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(C)CCCS2)CC1 1705761630 VNNRJOLTTMYSAI-HSZRJFAPSA-N 425.602 4.589 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1705797159 QUWSNBNVQGKONX-GMKZXUHWSA-N 438.616 4.785 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](COC)C1 1705814648 VWFURXYCXCRBJH-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)c1cccs1)C1CC1 1705858790 WCEAZVFKRMBRCJ-DEOSSOPVSA-N 438.597 4.598 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705947663 UAKLJJOLNSRUMW-TZIWHRDSSA-N 426.630 4.813 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722315532 WTNUIQIZVCVENC-HUUCEWRRSA-N 437.407 4.576 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1722483782 CSYLAHQWJBWSMJ-GOEBONIOSA-N 439.423 4.803 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)CCCOCc1ccccc1 1722486045 UIELEIDIIIWTHB-UHFFFAOYSA-N 435.410 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C(C)(C)C 1722517398 QFNWTQBBQVGZHZ-RBUKOAKNSA-N 449.640 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1c(F)cccc1F)C1CC1 1722581858 ZHLDHMXBPLCYCM-UHFFFAOYSA-N 443.542 4.564 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[C@@H]2CCCCO2)CC1 1722583796 YRJVWOAFMNQSIT-QFIPXVFZSA-N 440.588 4.617 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC2(CCC2)C1 1722619391 AWLJVVQVNJLSTO-UHFFFAOYSA-N 445.007 4.977 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(c2ccncc2)CC1 1722632970 BDSXZSGFBCCQQH-XMMPIXPASA-N 430.600 4.754 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)C(C)(C)C 1722655200 ITPWSBCICADCOL-HSZRJFAPSA-N 444.583 4.774 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1ncc(C)s1 1722663888 KIVGZYNRTFRQNR-NVXWUHKLSA-N 429.615 4.605 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCOc1ccc(Cl)cn1 1722665788 HSELEFQCVVPOTO-UHFFFAOYSA-N 446.942 4.799 30 10 IJEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1726424987 FBOFINYIAWDNAD-UWJYYQICSA-N 448.571 4.591 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 1726462101 HHTHNYAGAPAPEV-KJJMTIBFSA-N 434.632 4.810 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](F)(C#N)C1 1726820931 ANPCLHNQDHJONY-PBNUPURSSA-N 445.608 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCC1(F)F 1740559822 VPFPQVGFQCZUOU-ROUUACIJSA-N 432.515 4.539 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CC[C@](C)(CC)O1 1740633285 CFLGZONTWSWFHF-CPJSRVTESA-N 436.625 4.696 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCS1 1740658687 MPDZEIHBZCONAF-JOCHJYFZSA-N 436.625 4.513 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC[C@H](F)C1 1740673053 FLFQKNJFBBQIOX-QUCCMNQESA-N 432.971 4.849 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1740743667 BBOILBFGAAOMSY-IBGZPJMESA-N 430.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1740790230 WKOFQBALUFDQAK-OAQYLSRUSA-N 434.371 4.975 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740790420 HNLTXGYGGAUHIJ-CALCHBBNSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C)CCOCC2)CC1 1740819941 KMDCAFIJJFNQSA-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740849549 MZIDNCKOEQQDKU-FQEVSTJZSA-N 448.590 4.720 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@@H](C)C1 1740883734 DFPCBQCXIXMKBP-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H]1OC 1740917145 IOSFXZZLGPGHOO-DHIUTWEWSA-N 447.608 4.810 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1ccc(Cl)s1 1740921893 MQAVQCISNYRSRX-UHFFFAOYSA-N 445.017 4.890 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCc2oncc2C1)C(C)C 1740925943 FAHNDTRLLGJZRA-HSZRJFAPSA-N 446.599 4.503 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2ncccc2c1 1740933638 ADWDCEORKDCWFX-FYYLOGMGSA-N 431.584 4.972 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1740943585 XTFFNRADFGCPDJ-MSOLQXFVSA-N 442.560 4.990 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CCc1nc2c(s1)CCCC2 1741180479 CADBDBXKJIJHCL-UHFFFAOYSA-N 426.634 4.575 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCC[C@H]1C 1742046499 BFURLMOYYNMNEZ-QZTJIDSGSA-N 449.628 4.600 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1748707495 CSZBPVVHWAWBKP-UHFFFAOYSA-N 434.975 4.878 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)c1cccc(C)c1 1748750372 DPSFRWSLHPNHRS-HXUWFJFHSA-N 437.588 4.882 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(C)[C@@H](C)CC 1748829243 YRZAPVORFRKURJ-KRWDZBQOSA-N 440.016 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1749143907 OIDZGLPFSFTXQN-OALUTQOASA-N 431.625 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@H]1CCCCO1 1749153532 YCJNALFXBICQRP-HSZRJFAPSA-N 434.588 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)[C@@H](C)CC 1749171180 RBNJNAAZBOLYBK-JXQFQVJHSA-N 449.640 4.550 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@@H]1CCO[C@@H](C)C1)C1CC1 1749508389 PTAVGCOBVFCCFF-GBESFXJTSA-N 428.552 4.917 30 10 IJEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](SC)C(C)(C)C)C1CC1 1749519661 OTPQEFVKBCDINW-WOJBJXKFSA-N 428.602 4.723 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1C 1749536127 ATTFTPASWMWKDC-PZJWPPBQSA-N 430.556 4.554 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC[C@H]1C 1749552920 KQEJAPPJDMCKTP-IRLDBZIGSA-N 436.625 4.990 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO1 1749553637 JSOYSKNSTLJWOV-LJQANCHMSA-N 428.989 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)CN1CCCC1 1760098881 ASSBCVPJNVKBFY-SFTDATJTSA-N 444.627 4.542 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760146636 RKFNGLZWQCLCKY-IFMALSPDSA-N 448.640 4.573 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC(F)(F)F 1760149383 HOQUEYWYZMNKOM-UHFFFAOYSA-N 429.284 4.818 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1C[C@H](C)O[C@@H](C)C1 1760165209 MCXRQYKINKHJIQ-PMACEKPBSA-N 431.584 4.626 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)[C@@H](C)CC 1760289071 MABWIYGELBKHKQ-JDBHKMHASA-N 438.616 4.824 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](OC)C1 1760423823 NRCRSYKYPUZFIG-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@@H]1C 1760446719 ATEFYUICYVJFRN-OALUTQOASA-N 448.995 4.506 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1ncccc1C 1760482697 NJSACUSRLHLXPE-UHFFFAOYSA-N 430.581 4.578 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC(C)(COC)CC1 1760533190 NMJFOYMVXJKLAZ-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760563595 WPILMEAMNJKZLF-YLJYHZDGSA-N 448.423 4.756 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(N(C)C)CCCC1 1760689896 HABWJPQXXQSLSX-OAHLLOKOSA-N 435.403 4.722 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCC=CO1 1761605585 AQSDEBZCLIBUAN-LPHOPBHVSA-N 434.569 4.808 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1[C@@H]1C[C@H]1C(C)C 1761872108 FMSVNRQKIBWZPB-PLMTUMEDSA-N 426.996 4.860 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c1C 1860322279 HNSSVAAHUYIMTG-NRFANRHFSA-N 439.629 4.506 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3F)C2)c1C#N 1860660497 MIEHLSXNAJKQLJ-GFCCVEGCSA-N 449.498 4.825 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)[C@@H](C)CC 1861091386 YMMATYIRJLIVID-CYFREDJKSA-N 434.621 4.644 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cccc3ccccc23)cc1 1862397740 RSBJEOWCXSDOEH-DEOSSOPVSA-N 429.516 4.753 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862479838 QXUHNAODIDPFSG-HSZRJFAPSA-N 437.536 4.525 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Br)ccc2F)ccc1F 1862513130 PUBVCSPGWQVOKN-SFHVURJKSA-N 448.263 4.776 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2)c1 1862555066 RBVMWXJWRZITPJ-RXCMBHOCSA-N 428.532 4.816 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2c(F)cccc2Cl)cc1 1862666940 OWVKMEPQOPJYEG-RBZFPXEDSA-N 431.891 4.562 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862673808 OVKMLZVFMHLTEL-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CC(C)C)cc1 1862758918 HKVRIECGMYOEQW-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1863174210 XJWZZPWQAWCSGP-UHFFFAOYSA-N 437.927 4.610 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3)C2=O)cc1 1863348598 JFGVMPPJWVVUSY-UHFFFAOYSA-N 437.499 4.739 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1cc2cc(Br)ccc2o1 1866083580 WWTMNZVPDDVQGL-UHFFFAOYSA-N 439.244 4.859 30 10 IJEE CCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867012031 TYTDORPOHOHDAH-RPWUZVMVSA-N 433.552 4.764 30 10 IJEE Cc1ccsc1C(=O)Nc1c(C#N)nnn1Cc1c(Cl)ccc(Cl)c1Cl 1870109855 MHTXRIZCBVIROJ-UHFFFAOYSA-N 426.716 4.781 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1Cc1ccccc1F 1870616405 XHSWGCJGVPLULM-UHFFFAOYSA-N 436.502 4.928 30 10 IJEE C=CCOc1cn(CCCN(C)C)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870811122 JYYPWJUPOBXOGZ-UHFFFAOYSA-N 431.580 4.568 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)cc1 1871391353 YMUMLYXJEVTZKM-HMAPJEAMSA-N 443.455 4.931 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)s1 1871425535 LWLZXBFOODNGGQ-HRVJUDJTSA-N 449.532 4.821 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3)ccc2C1=O 1871441021 SXXPWSSIXBZZQG-GRSHGNNSSA-N 427.428 4.968 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872061917 WUPCURRQQSAGID-QFIPXVFZSA-N 432.561 4.591 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872223885 BBWFMTZEAQISOW-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1872224128 FFDBWQZLTVBBIQ-GOSISDBHSA-N 426.991 4.632 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c(OC)c1OC 1872788124 DOOVGZIRISWMLH-INIZCTEOSA-N 442.924 4.908 30 10 IJEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2ccccc2)C1=O 1873170019 LNGGBKOWIIMBCU-UHFFFAOYSA-N 439.559 4.582 30 10 IJEE Cc1cc(Br)ccc1N1CC(=O)C(c2nc(-c3ccccc3)c(C)s2)=C1N 1873527687 MDLJQELIWVEQAI-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)OC)nnc2-c2ccccc2Cl)c1 1874365605 LIWAKLRIUIMGBU-YDZHTSKRSA-N 444.944 4.535 30 10 IJEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874439626 LDPRAVBTYCZNCY-RGVLZGJSSA-N 439.379 4.504 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C2CCCC2)cc1 1874456663 FMOAVAZCPZCBDG-BUVRLJJBSA-N 425.602 4.667 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874526805 ICUZKRMHVIMTKW-ZMOGYAJESA-N 428.533 4.950 30 10 IJEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C)c(OC)cc1C 1874590484 CUDXROIRJOZOSZ-FNORWQNLSA-N 433.298 4.522 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875113301 XFXWJGJLDPFNSO-IZZDOVSWSA-N 427.453 4.850 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2cccc(C(F)(F)F)c2C(F)(F)F)CC1 1890232516 WXEMZKGTNICXHR-UHFFFAOYSA-N 443.347 4.674 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1890579879 WJYLRZSAXHWGRG-UHFFFAOYSA-N 436.309 4.553 30 10 IJEE N#Cc1ccc(C(=O)N2CCC(c3ccc4cc(-c5cccnc5)cnc4n3)CC2)cc1F 1890675960 JJTWXYFEVPPNLJ-UHFFFAOYSA-N 437.478 4.722 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)cc21 1890936261 DJXNYANYGGXHCW-UHFFFAOYSA-N 444.535 4.883 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCc2cc(Br)ccc21 1922075216 UVFKEUQQHWLFDB-DHIUTWEWSA-N 430.386 4.724 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)cccc1Br 1937850494 RNSRROXDDFAALB-UKRRQHHQSA-N 448.199 4.942 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2002864647 LTXMQJZCAICQPI-YADHBBJMSA-N 432.605 4.542 30 10 IJEE CCCCCC#CC[C@@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2024371340 SVPXGHQEWFPKJM-DNQXCXABSA-N 429.649 4.964 30 10 IJEE CCOC(=O)c1ccc(-c2ccc(C=CC(=O)c3ccc(N4CCOCC4)c(F)c3)o2)cc1 2040963585 XHXTVAAXSJTQQH-UHFFFAOYSA-N 449.478 4.995 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(F)c1F 2089291837 MZGCIXQSVBBFHN-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE C=CCC1(Nc2nc(C)nc(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2106024258 QOOIFTCDTHSPFB-UHFFFAOYSA-N 425.371 4.614 30 10 IJEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2118191681 HZSXMWXMVOELOP-OLZOCXBDSA-N 426.330 4.589 30 10 IJEE C=CCC1(C(=O)N(C)Cc2sc(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2124494411 LDVVBQNLMAEHNE-UHFFFAOYSA-N 443.407 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(CC#N)cc2)C1 2124698363 YUFWYRFPXKRYEN-AREMUKBSSA-N 449.551 4.535 30 10 IJEE C=C(Br)CCOc1c(Br)cc(Cl)cc1CNCCOC 2163483643 HIQIVHVNCNGHAT-UHFFFAOYSA-N 427.564 4.516 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(C#N)c(Br)c2F)C2(CCC2)C1 2174821750 KFJXVCRTAVUJSS-ZDUSSCGKSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2C#N)CC1 2181101809 XZFYSNGXWCYQLT-HDJSIYSDSA-N 436.350 4.590 30 10 IJEE CC1(C)C[C@](Oc2ccc(C#N)cc2Br)(C(=O)O)[C@H]1OCc1ccccc1 2197254893 ZYBSSXASADLSSF-GHTZIAJQSA-N 430.298 4.538 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COc1cc(Br)cnc1C#N)CC1CCCCC1 2198819064 CSURYZKXBORGNP-INIZCTEOSA-N 438.366 4.958 30 10 IJEE C=C[C@]1(Oc2c(N)cnc3ccc(Br)cc23)CCN(C(=O)OC(C)(C)C)C1 2198942517 LRDBJMOQHSYLSZ-FQEVSTJZSA-N 434.334 4.524 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3ccc(Br)cc3Cl)c2)OC1(C)C 2199710450 AFMKDEYVQGWTPZ-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]12C[C@H](CN1C(=O)OC(C)(C)C)C2 2235724590 MJYLAYWYPGAONZ-PERKRYKHSA-N 433.390 4.568 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CCC1 2235745492 CUFJELJGSJSVAI-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)C(F)F 2235750890 ZWGCKTGJQKMRTH-JKSUJKDBSA-N 445.348 4.575 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2278817762 JMABCLXMFAMTMF-WMZOPIPTSA-N 435.387 4.716 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2285619630 KWDHJTILKBAMJF-ZHALLVOQSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@@H](O)C#Cc1cccc(Br)c1)C2 2296231481 DPLQQUJCBUYSIP-IBGZPJMESA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@H](O)C#Cc2ccc(Br)cc2)CC1 2296272348 JNAOFZGQNMGUCJ-GOSISDBHSA-N 440.353 4.538 30 10 IJEE CN(Cc1ccc([C@H](O)C#Cc2ccc(Br)cc2)cc1)C(=O)OC(C)(C)C 2296283533 HWWSYWNIFCLICY-HXUWFJFHSA-N 430.342 4.901 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2ccc(Br)cc2)CC12CCCC2 2296286242 JGMUZSJIQNSCQV-IEBWSBKVSA-N 434.374 4.731 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2304614438 VRAZWHRHDOIOBB-BPYKYCOYSA-N 428.573 4.698 30 10 IJEE CC[C@H](CCCC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319680736 SRSMYVCRHIGLCB-UZUQRXQVSA-N 438.418 4.545 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2cccc(OC)c2)cccc1OC 2322377499 VKTNAVJDPXXNGJ-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE O=c1c(Br)c(NN=Cc2ccccc2Cl)cnn1-c1ccccc1Cl 2322667307 DSIJZIZQZKGOHS-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc(OC)c1OC 2322763117 WYKDAOGNAAJFAP-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 2323808637 FDHLUKOSQSNCRO-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OCC(=O)OC 2324352280 ZRGHXZLKRPIABF-UHFFFAOYSA-N 441.480 4.675 30 10 IJEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2324499186 MGVOXFNTXWXXFP-UHFFFAOYSA-N 439.291 4.767 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325027793 VYANOLJIUDSUPV-UHFFFAOYSA-N 425.437 4.713 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc1OCC 2325580599 NNIRJBQCVKDSBT-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1sccc1C 2326202860 FCPSRECBZREGTR-UHFFFAOYSA-N 428.583 4.611 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccn2C)c1 2328619130 IXQNENPTTOXFRA-UHFFFAOYSA-N 449.555 4.724 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccncc2)c1 2330645404 TWLWVUDHOBWQCQ-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccco1 2331183705 AZSGEGCWXGKAIB-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 2331184521 GLJJBUOZGWWFEE-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1cccc(Cl)c1 2331345923 KMGPAWZAGMMOGE-UHFFFAOYSA-N 436.025 4.897 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2F)o1 2331393784 QVSGESMNXYUZJK-UHFFFAOYSA-N 430.505 4.659 30 10 IJEE COc1ncc(Br)c(C)c1[C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2342356034 ILMLOLKATXANIV-LLVKDONJSA-N 438.244 4.525 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@H](N)C#Cc1ccccc1Br 2358952354 RTXSZPPBIYKLNZ-OJAHFUOMSA-N 433.390 4.696 30 10 IJEE CC1(C)OB(/C=C/c2ccc(=NCCc3csc(Br)c3)[nH]c2)OC1(C)C 2365115091 FRTBGCCJGCSLBO-VQHVLOKHSA-N 435.196 4.627 30 10 IJEE N#Cc1ccc(CN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)s2)cc1 3341278 UVXKLUUBGBJOOX-UHFFFAOYSA-N 427.938 4.536 30 10 IJEE COc1ccc(CN/C(=N\C(=S)Nc2ccc(C)cc2C)Nc2nc(C)cc(C)n2)cc1 14156645 AHSWKOLKRWVUQZ-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 21355804 XJIQGGGIXZQTBV-DEOSSOPVSA-N 433.552 4.967 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1 33539360 BIOYSYONEDKMJZ-QROQDFCZSA-N 445.519 4.668 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCOC)cc1 39910384 IFHNAWUWLKGEHK-JOCHJYFZSA-N 433.504 4.556 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(OCCC)c1 40099159 JXOATRIJGVOJFV-LJQANCHMSA-N 428.554 4.927 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OC(=O)c4cccnc4)c3C)C1=O)cn2C 41293276 KYKZLLWNMBOBQA-KSEXSDGBSA-N 440.455 4.726 30 10 IJEE CCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2cc(-c3ccccc3)sc2c1=O 64565408 VDOJJJUCIZVQKZ-UHFFFAOYSA-N 446.557 4.747 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)cc2)cc1 169957748 ACXRPXBZWGWADD-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccs2)cc1 169989586 VNEJCYDVRAZQMA-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2F)cc1 170069447 IYXPDGRWQJSLHW-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccco2)cc1Cl 170092218 SKHHBIYHYZSPSK-IBGZPJMESA-N 427.815 4.864 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)c1 170117623 VCUWTXZHVBPTOT-XMMPIXPASA-N 449.547 4.577 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCCC2)c1 170119405 VCRMDSVUWDBBDP-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(O)cc1 170133516 IIGOXKSONAYATF-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1 170188980 KTIDKYMDZVARSG-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccncc1 170200585 KMGYIMVJWKTGKL-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)cc1 170235976 QKGJQXAYWUBSOZ-JOCHJYFZSA-N 434.923 4.633 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 170247757 NLQJWTGPDXCFEL-JOCHJYFZSA-N 449.409 4.519 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccco1 170294813 JPSNIEOOUBRXII-IBGZPJMESA-N 433.888 4.719 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2sccc2C)cc1C 170316680 FZKDSAJBEWLEBH-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)o1 170424789 YBCKINPRUPFTGW-SFHVURJKSA-N 431.366 4.978 30 10 IJEE CCOc1c(Br)cc(CNCc2ccc(C#N)cc2F)cc1Br 237028847 DZGSDGMXFGGFDA-UHFFFAOYSA-N 442.126 4.911 30 10 IJEE CCOC(=O)c1ccc(NC(=O)c2ccc(N=Cc3ccc(OC)c(OC)c3)cc2)cc1 254288839 BJPJACYXKIXBBZ-UHFFFAOYSA-N 432.476 4.883 30 10 IJEE Cc1ccc(NC(=O)C/C(N)=N/OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 254505153 UYCNQUOZGOOMSB-UHFFFAOYSA-N 444.495 4.667 30 10 IJEE COCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccccc1 254627617 ASWXZMVWKCEQJX-QGJBXVFPSA-N 448.500 4.895 30 10 IJEE CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)-c1ccccc1C2 254846157 KJHFQGYMDAKVCP-UHFFFAOYSA-N 441.350 4.723 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@]2(CCCOC2)C1 460383619 CBMSPXCFMWBMFD-VWLOTQADSA-N 434.540 4.700 30 10 IJEE Cc1nc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)sc1Cc1cccc(Cl)c1 504074377 VKXXYZTXAGYFBI-OAQYLSRUSA-N 433.961 4.896 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 508818326 SDJBRXJOMHRPIF-SFHVURJKSA-N 437.975 4.571 30 10 IJEE CC1(C#N)CCN(C(=O)c2cccnc2SCc2cccc(Br)c2)CC1 509363085 CYXNBOYNDFQLBG-UHFFFAOYSA-N 430.371 4.902 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)c(Cl)c2)cc1 526605056 SRNCDXREETYNPE-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(=O)OCC)o2)cc1 526829945 HVCXCVWWIYLDPX-UCQKPKSFSA-N 442.541 4.710 30 10 IJEE CCN(C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)c1ccc(C#N)c(Cl)c1 540273775 VHESHIBASGKLPL-UHFFFAOYSA-N 438.959 4.529 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2cccs2)C1 572859720 WOIIDPPQYBJJJA-KRWDZBQOSA-N 445.386 4.923 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669817357 WASUHQLNQMFEHX-FGZHOGPDSA-N 434.588 4.876 30 10 IJEE C=C(C)[C@H](CO)Sc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CCCCC1 677131681 RJDXDGXOFBAGBJ-IBGZPJMESA-N 433.574 4.505 30 10 IJEE C[C@H](CCC#N)SCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 695785321 BMSFMJFBHVKKRK-OPAMFIHVSA-N 438.549 4.794 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 733639459 CEPYYRLQYPMAFY-OXQOHEQNSA-N 427.342 4.987 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nnc(-c2cccnc2)n1Cc1ccco1 735231056 OEODMZAHWNUTOQ-UHFFFAOYSA-N 437.912 4.829 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1C 742215284 UCSSDFACQOKSCD-NRFANRHFSA-N 437.540 4.816 30 10 IJEE COc1cc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 756233477 LKNGCHSLVHZPKH-LJQANCHMSA-N 430.460 4.766 30 10 IJEE Cc1csc(C(=O)OCc2cc(Cl)ccc2OCC#N)c1I 787861128 UJUIKUCLEYMCRQ-UHFFFAOYSA-N 447.681 4.574 30 10 IJEE C[C@@H](NC(=O)[C@H](C#N)C(=O)c1cn(C)c2ccc(F)cc12)c1ccc(Cl)cc1Cl 796891255 FERISLIXBOFDLF-BDJLRTHQSA-N 432.282 4.824 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1 814620857 JOLPBBYHJOIOSW-BJKOFHAPSA-N 449.551 4.810 30 10 IJEE Cn1cc(OCc2ccccc2)c(=O)cc1CO/N=C(/c1ccc2c(c1)CCC2)C1CC1 821233977 NIRXEKHOLUBJAH-BYYHNAKLSA-N 428.532 4.784 30 10 IJEE Clc1ccc(C=NNc2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)n[nH]2)cc1 1083905499 HPXRJZOMIYCJGL-UHFFFAOYSA-N 446.323 4.900 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccccc1 1084005479 JSZCJVGINRVRDM-UHFFFAOYSA-N 430.537 4.915 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 1084488023 MELXGFSUMBXVAX-OAHLLOKOSA-N 426.300 4.723 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3Cl)c3ccc(F)cc3)CC2=O)cc1 1127363182 HPQMFCJWHFNVPD-LJQANCHMSA-N 447.897 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cc(Cl)cc(Br)c1 1129492819 DEPDXKDOJJSLOB-AWEZNQCLSA-N 430.730 4.628 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1Br 1136581675 BMLYWKPXLWWFPE-KRWDZBQOSA-N 448.292 4.664 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 1142470022 QXQFXRPCPPKFPQ-IAGOWNOFSA-N 444.906 4.818 30 10 IJEE C#CCSCCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1147343411 SNMACTTTWZPQRK-UHFFFAOYSA-N 425.351 4.761 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(Br)cc(C)n1 1162866953 DRSBRDFLQXWODX-UHFFFAOYSA-N 431.359 4.969 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1167495355 DVNSSYFPYMOHTF-CTNGQTDRSA-N 440.613 4.519 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)OC 1177958280 DQOLARMCQMXLIX-PMACEKPBSA-N 446.341 4.583 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(C)cc2C)nn1 1230271239 BVPBOGSNIZYDEC-UHFFFAOYSA-N 439.947 4.868 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccc(Br)cc1 1230498977 OKMSDSUNNCZWFO-OAQYLSRUSA-N 428.374 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C1CC1 1286278019 KMAKWXUHVWTIEI-ABSDTBQOSA-N 430.980 4.571 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1C[C@@H](C)C[C@H](C)C1 1286284061 WRMDKCWKKLLJCH-BZSNNMDCSA-N 431.987 4.564 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)[C@H](C)CC 1286423627 NLAAUOIUBFPPBC-ZHRRBRCNSA-N 433.383 4.512 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCCc1nccs1 1286455252 CHAJFSBTENIZMG-UHFFFAOYSA-N 446.555 4.517 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1286582722 CZDZDQMDZMENST-GOSISDBHSA-N 434.968 4.641 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 1286593087 BZQALSHTKFJORZ-IBGZPJMESA-N 448.514 4.875 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286612685 IXYXVASRQZNRGU-GOSISDBHSA-N 438.494 4.537 30 10 IJEE C=C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1286637015 RBAMLNKODRLXNN-MOPGFXCFSA-N 429.609 4.738 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCC1 1286699161 PKTYIULVNXHQRK-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[S@@](=O)C(C)(C)C)C1CC1 1286732115 KISXGUBTLPMPCB-FZYZMVIOSA-N 444.645 4.737 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccncc1Cl 1286754822 VILPLABDGKWYOQ-INIZCTEOSA-N 427.911 4.832 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1286829940 NAZJCHDWPKFNKZ-LEWJYISDSA-N 426.630 4.816 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1288524762 GUZZTUCROIBGAL-SFHVURJKSA-N 429.012 4.525 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(C)c(N3CCCC3)c2)nnc1-c1ccco1 1288594391 ARVONERGXQRTQX-UHFFFAOYSA-N 437.569 4.754 30 10 IJEE C=CCC[C@@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1)c1ccccc1 1288733380 WLNQZZQJUSXCAG-FCHUYYIVSA-N 442.600 4.659 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(CC)nc3onc(CC(C)(C)C)c23)cc1 1290545910 JWPVGMHUNYCBNQ-UHFFFAOYSA-N 435.528 4.934 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1293256290 FYYULDIWDIXZIW-ODGPQVTHSA-N 434.632 4.810 30 10 IJEE C#CCN(C(=O)CCC[C@@H](O)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1293513853 RUXDVBGXNSFHHH-NHCUHLMSSA-N 442.353 4.638 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(C)(C)C)[C@@H]1CCCc2c1cnn2C 1298125386 BNDZODRLHYCPMX-OAQYLSRUSA-N 431.588 4.890 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C(C)C)C(C)C 1300273799 HFKIHXVGHKSIKI-MOPGFXCFSA-N 432.012 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1c(CC)nn(C)c1CC 1300283347 SVOZWHRDNQKLRK-SFHVURJKSA-N 432.616 4.607 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cn2ccc(C)cc2n1 1300284139 YOHJCHFIVUMYGE-LJQANCHMSA-N 426.568 4.705 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1300341360 GEGVNWRSDHUIQM-QFIPXVFZSA-N 443.389 4.518 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1300372779 LBNKNMKUUCYRAE-MOPGFXCFSA-N 445.032 4.890 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCCc1ccccc1 1300890869 IHUVAELZBFMHBO-LADGPHEKSA-N 436.625 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCc1nnc(C)s1 1300907060 WILNNTBXWSTTBN-UHFFFAOYSA-N 447.008 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1300909438 TYCUUYCZTPYACU-GOSISDBHSA-N 434.441 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1300924602 DWBKCCJQQVPONC-CIAFKFPVSA-N 431.669 4.720 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1301019574 LZPFSJVRKBAZON-SFHVURJKSA-N 438.906 4.586 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2CCc2cc(Br)ccc2F)CC1 1301077808 DKERHSQQJGMSQO-UHFFFAOYSA-N 442.336 4.641 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCN2CCC[C@H](C)C2)CC1 1301111901 IVHWAWNFMGGNOG-NRFANRHFSA-N 437.632 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cc(F)cc(F)c2)CC1 1301114859 XRYCKTZTVVIMJA-UHFFFAOYSA-N 429.902 4.917 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1301120481 SQSIQYJDHVLXGM-ONTIZHBOSA-N 429.653 4.679 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CC[C@]2(CCOC2)O1 1301168034 KLOAQUXSAFONCS-NTKDMRAZSA-N 428.552 4.605 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1301178640 QQXVTWYOWRYRRV-SFHVURJKSA-N 431.462 4.617 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1301182970 OSDMACHLHGAUHX-UHFFFAOYSA-N 432.572 4.727 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@H](C)C1 1301346476 CZVYAKYHRBBUEZ-NRFANRHFSA-N 430.600 4.573 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1C[C@H]1CC(F)(F)CO1 1301406607 SLTVZALQIOCYIR-LJQANCHMSA-N 428.483 4.506 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)SC 1301415543 WBWRKSHBLKVWQO-UHFFFAOYSA-N 445.452 4.550 30 10 IJEE COCCC1(Cn2c(-c3ccccc3F)nnc2N2CCC(C#N)CC2)CCCCC1 1301471458 HBVIXMBOBOTJTF-UHFFFAOYSA-N 425.552 4.811 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1301621075 QDWYQHAVQCSYGB-GOSISDBHSA-N 432.659 4.802 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(OC)ccc1Cl 1309138752 LAKUGZWDPIKHJZ-UHFFFAOYSA-N 448.741 4.627 30 10 IJEE C=CCCC[C@H](NC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 1311723687 VBGXGYROYKXNDR-WATLYSKOSA-N 449.595 4.833 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc(OC)c1OC 1311747612 IVZQQFQAYBIVOQ-UHFFFAOYSA-N 430.495 4.800 30 10 IJEE CN(Cc1ccc(Br)s1)c1nnc(COc2ccc(C#N)cc2)n1C1CC1 1314729091 GPIQJVHLYORHFP-UHFFFAOYSA-N 444.358 4.524 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)c2C#N)C1 1350718936 GOZMFMKGCXVQTC-HNNXBMFYSA-N 430.533 4.573 30 10 IJEE C=CCC1(C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)CCOCC1 1351301600 HGAYJMOLFIHNRN-UHFFFAOYSA-N 428.573 4.571 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccnc(OC2CCCCC2)c1 1352519740 DWJAJVOBAWOYQA-UHFFFAOYSA-N 425.481 4.536 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1 1358904248 ACDFZXZEMPGAOJ-LJQANCHMSA-N 426.536 4.510 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C#N)CC1 1358907488 QYJFQAUBVJNMSF-UHFFFAOYSA-N 426.362 4.560 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1358928844 MCKWGBCALUJAQE-UZLBHIALSA-N 443.389 4.819 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1358934767 MMHUJVJTIOFSNC-MGPUTAFESA-N 449.382 4.581 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1Cc1ccccc1 1359111706 JYKFEKDPGXPSEA-QHCPKHFHSA-N 430.600 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCCCC1 1359112173 AVEBPGMTVMABDA-DEOSSOPVSA-N 437.632 4.609 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CC2(SC)CCN(C)CC2)CC1 1359176897 RYIFJYURUAIIDF-UHFFFAOYSA-N 446.064 4.828 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)c1nccs1 1359276478 DRIMNLJQBKFLHC-GOSISDBHSA-N 444.564 4.905 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(C#N)CC1 1359336848 DAAACEHQDMKMQD-UHFFFAOYSA-N 446.418 4.757 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1437616269 CFAPPGRKWUOIAO-AUSIDOKSSA-N 438.593 4.693 30 10 IJEE N#Cc1cc(F)cc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 1438460160 IERUOWOOTKYABB-UHFFFAOYSA-N 438.256 4.964 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)Cc1cc(Cl)ccc1Br 1462888499 QYDWCQBZYWMIBH-UHFFFAOYSA-N 432.742 4.760 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 1463934520 UXOFASGGOINHTN-URXFXBBRSA-N 445.563 4.723 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 1464290555 PWYZBQOTVWDFLT-SFHVURJKSA-N 447.988 4.941 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C(=O)OC)cs1 1465908478 YTTJOTFVVPPXDK-UHFFFAOYSA-N 427.295 4.656 30 10 IJEE C[C@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccc(N2CCCNC2=O)cc1 1466648284 IEBMZZJVCYHKND-AWEZNQCLSA-N 425.558 4.720 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)cc21 1467381730 VHVRFYFLIFUYJV-INIZCTEOSA-N 430.339 4.930 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](F)C1 1468271732 RNKGPNUGRWHPBY-ZHRRBRCNSA-N 442.918 4.607 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(Br)c(Cl)c1 1475212631 WETUQWNEKGHCFQ-UHFFFAOYSA-N 430.751 4.801 30 10 IJEE CCN(CC)CCN(Cc1ccc(Cl)cc1)C(=O)Nc1nc(Cl)c(C#N)s1 1476723663 GXTBJIPUOSACHN-UHFFFAOYSA-N 426.373 4.697 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 1477777343 ADUICWPWBSLTLR-IBGZPJMESA-N 432.495 4.977 30 10 IJEE C[C@H](NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 1478416040 CNOLOSHBAKEMPQ-MHECFPHRSA-N 442.519 4.706 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1479587530 ZKSKUKNQNIJCLX-FKBYEOEOSA-N 427.589 4.605 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(N(C)C)CCCC1 1507517405 HHILOVVQQPEABG-SFHVURJKSA-N 448.640 4.709 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC(F)(F)F 1507678229 FLSKADZDAIGFCS-UHFFFAOYSA-N 445.489 4.739 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1CCN(CCC)CC1 1507699995 MWEQCBYCAZCNHW-UHFFFAOYSA-N 449.574 4.747 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](CC)O[C@H](C)C1 1507779647 DPYWKKBPTPBPLG-OCCSQVGLSA-N 443.748 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1nccnc1C 1507812068 IKLSANAUGMGNQO-GOSISDBHSA-N 440.979 4.815 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)S[C@H](C)C1 1507843710 RKCPRSWGTAGTBB-HDICACEKSA-N 439.585 4.523 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC(C)(C)OC(C)(C)C1 1507923623 YXAXXGGIAPHOEF-UHFFFAOYSA-N 436.604 4.513 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507946588 QQPPQKKQTXPOHE-HNNXBMFYSA-N 427.902 4.638 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1507947069 UHPUEVKMEYWBLA-UHFFFAOYSA-N 439.560 4.511 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCN1CCCCCC1 1508006648 IYXXKMUEFZOGMT-UHFFFAOYSA-N 436.629 4.779 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(C)C)C2)cc1 1508106252 VFCSJFJMPNLORQ-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 1510321210 CELMOMMKEMINCB-GOSISDBHSA-N 429.515 4.648 30 10 IJEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C2CC2)cs1 1517082619 CCTGCYXYDMAZPP-UHFFFAOYSA-N 436.585 4.593 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(I)ccc1F)c1ccc(F)c(F)c1 1517411661 RLOUAQBJALWASF-MRXNPFEDSA-N 431.195 4.756 30 10 IJEE C=CCOc1cccc(NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)c1 1526622870 FYOXJCOKURQKKY-UHFFFAOYSA-N 448.972 4.525 30 10 IJEE C=CCO[C@H]1CCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1526843798 SXAZLWNJLJKKKL-FXAWDEMLSA-N 434.305 4.512 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCc2cc(Br)ccc2F)cc1OC 1526949515 JRMHQTHUMDBJRT-UITAMQMPSA-N 434.305 4.534 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 1534593491 HSXGRADLNJHGJN-UHFFFAOYSA-N 447.626 4.519 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3nc(CC)n(-c4c(Cl)cccc4Cl)n3)cc21 1536841349 ZXALPZKOAJAVBP-UHFFFAOYSA-N 441.322 4.925 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)cc1F 1539049794 TVWJTQKDJCNWQX-UHFFFAOYSA-N 448.315 4.754 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[C@H]1CC 1539369624 NJKPQSPCYPDHRJ-TZIWHRDSSA-N 443.636 4.678 30 10 IJEE C=C(Br)Cn1c(N2CCS[C@@H](C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1539612008 GDMODDUYZJNLRW-IRXDYDNUSA-N 447.446 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539921316 VNEYGJUXPGSQQA-UHFFFAOYSA-N 449.643 4.761 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1539921511 YRNANNKPCFJGIM-UHFFFAOYSA-N 430.980 4.514 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCCOC(C)C 1540057875 LHGWAJRTBSKJHL-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(F)c(Cl)c1 1540092622 OPMAWUWANLDYOQ-VQIMIIECSA-N 436.959 4.690 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)C(F)(F)F)cc1 1540107196 SKSAOBKSFNXHLC-OAQYLSRUSA-N 428.410 4.614 30 10 IJEE CCC[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 1540336359 BUUHUKWRKBAUSK-SFHVURJKSA-N 438.915 4.692 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(Cn3cccn3)CC2)cc1 1540878266 SKGXUOGWUCXNTF-UHFFFAOYSA-N 448.615 4.593 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC)C1 1540885801 PEJXHYIUWCSRDD-CQSZACIVSA-N 425.758 4.552 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1543920791 FVBNZQWSVSEZPK-HKUYNNGSSA-N 429.561 4.957 30 10 IJEE C=CC[C@]1(C(=O)NCCc2nc3ccccc3n2C(C)C)CCCN1C(=O)OC(C)(C)C 1544390033 FORRTGUSSICDBC-RUZDIDTESA-N 440.588 4.622 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 1557475406 QUFXAWWZLGNKNT-UGKGYDQZSA-N 426.582 4.969 30 10 IJEE CC[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC[C@H]1NC(=O)OC(C)(C)C 1559158556 AYFDMZHMCZAANO-BLLLJJGKSA-N 426.330 4.589 30 10 IJEE C=CCOc1ccc(CNC[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)cc1Cl 1560522813 HETWMAZEHUZTRY-QGZVFWFLSA-N 440.893 4.618 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 1564179322 JIYMKPWDWGWYCE-DEOSSOPVSA-N 434.923 4.927 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1565463577 FWWLCWKEHNZKIP-DSNGMDLFSA-N 433.596 4.694 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)CCc2ccc(Cl)c(F)c2)nc1C 1565624970 RSEQBDGHXNVUEQ-UHFFFAOYSA-N 437.953 4.549 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 1570278897 DXXZNZNCJXWLBO-DEOSSOPVSA-N 433.596 4.945 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cn1cc(-c2ccccc2)c(C)n1 1583506010 MKGGJQYIFLISFR-UHFFFAOYSA-N 426.314 4.825 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Br)cc1 1584708459 PHGBJJOXGJTWCA-QGZVFWFLSA-N 448.242 4.758 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CCCC)[C@H]2CCc3ncsc3C2)cc1OC 1585433283 LEBVASLTGUFAPH-ICEKFOEVSA-N 426.582 4.916 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1OCc1cccc(Br)c1 1586231337 DHZGMRCAVGQGPR-UTKZUKDTSA-N 430.342 4.739 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 1586935689 KFMTYAZXTGASAZ-HTXNQAPBSA-N 443.503 4.952 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccccn1 1589006776 IEVXWDFSWWNXOL-QGZVFWFLSA-N 437.638 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccnc(SCC)c1 1589625456 GZMPBKAKGUKUCY-UHFFFAOYSA-N 437.569 4.632 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC=C(COC)CC1 1593817616 GYMVOZLLWGHFTD-UHFFFAOYSA-N 437.975 4.888 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1593851705 BUOPZJNMPATXET-KRWDZBQOSA-N 438.988 4.514 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1593914882 QVSZVDQLJRIAQP-UHFFFAOYSA-N 426.870 4.925 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CSCCS2)CC1 1594013289 FCAUIVCCVYIMKV-APWZRJJASA-N 434.606 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1594504437 RTJOXEJKYMVCBC-FQEVSTJZSA-N 444.023 4.620 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC2CC2)CC1 1594573669 WQLNMNQMDSBJER-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1csc(-c2ccco2)n1 1594998208 ZVBFZENOFLOKGV-UHFFFAOYSA-N 441.944 4.898 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)COC)C1CC1 1595034097 VZLHJKBGLQJSOC-UHFFFAOYSA-N 433.394 4.843 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)c1ccccc1 1597543296 ACQKIVXTZFSMSB-GOSISDBHSA-N 444.373 4.759 30 10 IJEE C=CCn1c(C)cc(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CC=C)c1C 1613136035 LQLNIOJTQQBXEW-UHFFFAOYSA-N 427.957 4.815 30 10 IJEE Cc1cc(NC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c(C#N)cc1N(C)C 1625385968 BLFNTPCWGVYISX-UHFFFAOYSA-N 439.563 4.817 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC 1625507814 LDJUUKFNOHAYLI-UHFFFAOYSA-N 434.536 4.604 30 10 IJEE Cc1ccccc1Oc1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)nc1 1626676570 CCXHOGHKNIJBKG-QHCPKHFHSA-N 446.938 4.858 30 10 IJEE CSc1ccc(Br)cc1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 1626998136 HLLKFGCLNYMDRX-UHFFFAOYSA-N 433.346 4.572 30 10 IJEE CCc1ccc([C@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2cccc(F)c2)cc1 1628773302 DDBYFTJIJDQYAU-NOZRDPDXSA-N 444.510 4.607 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C 1632409906 YQOZVEUGHGBUKU-FGZHOGPDSA-N 440.588 4.607 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2ccc(Oc3ccccc3CC)cc2Cl)nn1 1636331240 XIWJJSJYAPJXND-UHFFFAOYSA-N 439.947 4.814 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1637540438 WSPNESXXMMSFAO-NMIHRBCNSA-N 443.588 4.882 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NCc2cnn(C)c2)cc1 1638814600 MZSDVTGVOJLBJN-UHFFFAOYSA-N 441.329 4.612 30 10 IJEE C#CCOCCSc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl 1640652159 XGISWMQEOMLOGA-UHFFFAOYSA-N 433.360 4.688 30 10 IJEE C#CCN(Cc1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 1642670350 ANGNYRHVRHWFLK-UHFFFAOYSA-N 449.532 4.652 30 10 IJEE C#CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CC1 1643525655 SBTUOJNTJGICLL-UHFFFAOYSA-N 438.593 4.515 30 10 IJEE N#Cc1c(NC(=O)CN2Cc3ccc(Br)cc3C2)sc2c1CCCCC2 1645206356 AQNGXTUUDRQVQF-UHFFFAOYSA-N 430.371 4.605 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 1652227380 WKZMKFLQAJBCRP-HXUWFJFHSA-N 438.724 4.827 30 10 IJEE C=CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1654151210 KREZZPJYPDRXAV-LJQANCHMSA-N 435.351 4.594 30 10 IJEE C=CCOc1ccc(C(=O)Nc2[nH]nc(COC)c2-c2ccc(Cl)cc2)cc1OC 1654253683 VVNWDCWYLUVFFD-UHFFFAOYSA-N 427.888 4.702 30 10 IJEE C=C(C)COc1cc(CNCc2ccc(I)c(C)c2)ccc1OC 1662344494 DOTMHNFKAKDDTI-UHFFFAOYSA-N 437.321 4.853 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@H]1CCCc2ccccc21 1669778816 GKOGWHMXDVHDDS-VGSWGCGISA-N 441.369 4.939 30 10 IJEE C#CC[C@@H](NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccccc1 1671008913 YFRJEYUYXZDULA-MRXNPFEDSA-N 427.327 4.854 30 10 IJEE C=CCCCCCCCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1673406425 QGSMTMHHBYIJOT-FQEVSTJZSA-N 437.625 4.618 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(Br)ccc2-n2cccn2)cc1 1674456732 VOVGZDRAXXOGOW-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)cc2n1 1674576603 NBPFUWWSJFQXEF-IBGZPJMESA-N 439.560 4.666 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C(F)(F)F)cc1 1679306248 WBWNYXJMRLQBJB-WOJBJXKFSA-N 449.521 4.723 30 10 IJEE C#CC[C@H](NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 1680514723 CZMKBSJLUBXIEB-KRWDZBQOSA-N 425.838 4.587 30 10 IJEE C=CCC[C@@H](NC(=O)NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 1680632962 ILAWBWLKTLLAHI-VQIMIIECSA-N 425.495 4.661 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@](C)(CC)C1 1689879816 IEBFUZLCNOUXCD-QFIPXVFZSA-N 445.405 4.825 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H]1CC 1690041056 YMGMOCSTDCPENZ-RBUKOAKNSA-N 439.401 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(c3cc(C)ccc3C)CC2)nnc1C(C)(C)C 1690255600 SZVQHWZPZOFLGQ-GGAORHGYSA-N 437.632 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1OC 1690258554 KGHFEOCZUKROAZ-MJGOQNOKSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1690274753 CGCGTCNRBJXGMC-XZOQPEGZSA-N 437.632 4.923 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CC[C@H](CN(CC)CC)C1)c1ccccc1 1690326111 SAIXSUFDHGLDFK-JOCHJYFZSA-N 435.641 4.812 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1690428055 BXOAISNHXXWBHB-SANMLTNESA-N 448.615 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](SC)C1 1690436694 XPDRECSKHGZMDZ-HXUWFJFHSA-N 438.645 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(-c2ccsc2)nc1 1690520160 LPVZXCZFLSGACS-UHFFFAOYSA-N 447.564 4.756 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)[C@@H](C)CC)C1CC1 1690540988 JDKACNIFQRVTLY-YCRPNKLZSA-N 433.394 4.660 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCCc1ccccn1 1690633108 JIOBPVPOQGMVSE-UHFFFAOYSA-N 426.362 4.666 30 10 IJEE CCN1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1695841993 ADIRMHRJALXYGK-JTSKRJEESA-N 447.414 4.866 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705484503 PVAGWELYXIBCGN-HUUCEWRRSA-N 425.989 4.686 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2(CCC)CCC2)c1 1705506870 LBKVMCKTEHMQFB-JOCHJYFZSA-N 449.599 4.546 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccc(N(C)C)nc2)CC1 1705777040 VYHPNCDSVOXFKJ-HSZRJFAPSA-N 430.600 4.732 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705778835 LLQKSLGFWHYEAW-NRFANRHFSA-N 437.588 4.747 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)cc1F 1705836874 JDHBRJCMZSUNAG-HNNXBMFYSA-N 426.561 4.950 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccccc1C 1705889797 DUFILPJBFXLZSW-NRFANRHFSA-N 439.604 4.914 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1705921212 NXCMHSUJYQTQJH-NQIIRXRSSA-N 446.542 4.951 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)SC 1708672555 COCUHSJJXKZGAD-NHCUHLMSSA-N 439.629 4.601 30 10 IJEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C(C)C)C(C)C)CCS1 1709327199 BGAKJSXDVKHYCH-QFIPXVFZSA-N 440.661 4.657 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1C1CC1 1722407950 VCAMRLAZBCSYPY-GGAORHGYSA-N 435.616 4.511 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1722451590 LVKCCHJYBNKSLB-KSZLIROESA-N 433.021 4.920 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCCOC1CCCCC1 1722497813 DDMIQNLDTVEVRB-RUZDIDTESA-N 440.563 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(N(C)C)CCCC1 1722502440 UTHSVAFNSGOFRA-LJQANCHMSA-N 429.584 4.834 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 1722525673 GTIAAODISBEBRZ-HOTGVXAUSA-N 443.514 4.705 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCc2oncc2C1 1722544408 YDWFQZDVSXBHGF-OAHLLOKOSA-N 448.354 4.992 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1722579685 JOPJIQFTUJBXMS-SFHVURJKSA-N 437.613 4.812 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(C(C)C)C(C)C)CC1 1722583768 YDJOWFAVPDJOOX-UHFFFAOYSA-N 429.584 4.517 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2F)CC1 1722601304 HHWQDEDIDMTGGX-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1722626855 IXDVMZBCLXORTQ-GOSISDBHSA-N 432.996 4.976 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1C[C@H]1CCC2(C1)OCCO2 1722658263 CENHSXTZWMZRLM-MOPGFXCFSA-N 428.552 4.667 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1722686993 BZXKZJYGAMTNMR-UHFFFAOYSA-N 437.544 4.980 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1722736098 WVNNQUUEEKNYJT-QGZVFWFLSA-N 430.618 4.754 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@@H](C)C2)c1C 1724062488 CCYYYQVUAWDEAZ-YBNJHJSASA-N 425.552 4.913 30 10 IJEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1726424986 FBOFINYIAWDNAD-UTKZUKDTSA-N 448.571 4.591 30 10 IJEE CC[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@](C)(O)c1ccsc1 1726914482 DEMADJZFQUBHAM-CJAUYULYSA-N 447.608 4.926 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1C[C@H](F)C1 1740558084 SKYHCQNANYDCOF-DZKIICNBSA-N 425.335 4.760 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)CC1CC1 1740565685 FAGXABGTSPERSQ-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cc(Cl)ccn1 1740576260 ZVGCDLCDOBFLEC-UHFFFAOYSA-N 432.959 4.839 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1cccc(C)c1 1740603653 ZLTDLJRFAZGPTM-HNNXBMFYSA-N 429.387 4.951 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC=CO1 1740664663 YMBYGOPYULCDOQ-OAHLLOKOSA-N 435.753 4.513 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1740721559 MJJRZUWZRPOGBM-KRWDZBQOSA-N 433.021 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1740728378 AMWUJUGCJWUMKB-VHFRWLAGSA-N 449.643 4.704 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740741667 PBFSTOGCRIKDNT-HNNXBMFYSA-N 441.295 4.864 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1740790161 PUJKZAVSUTVNFI-LJQANCHMSA-N 441.938 4.719 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2cccnc2OCC(F)F)CC1 1740840525 BOKGDNYVKYIOTI-UHFFFAOYSA-N 431.531 4.500 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)c1ccccc1 1740856199 RKQBFSRWXKJIEP-QHCPKHFHSA-N 435.616 4.778 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C)C1 1740882268 GMOPGDKKSLSHJC-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1740908691 HTUXNDRWNJLFLV-UHFFFAOYSA-N 441.583 4.692 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1748660655 VYYIZTKHUKWFGR-HNNXBMFYSA-N 439.350 4.714 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C(C)(C)C)CC1 1748724000 GTECCCZKXHUYIN-UHFFFAOYSA-N 437.632 4.588 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1748756222 XRTPUMSMXOWXDS-SFHVURJKSA-N 426.973 4.655 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1748773682 BLNFWIWBWHIALX-OYRHEFFESA-N 444.627 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCn2ccnc2C1 1749171270 UAPHRLQYTZGZRE-HXUWFJFHSA-N 436.629 4.740 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CCOCC1 1749474163 XPENOXQBHHWITO-MRXNPFEDSA-N 432.659 4.666 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccncc1Cl)C1CC1 1749508023 HIUMPROVZRCIOA-OAHLLOKOSA-N 427.911 4.809 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1ncc(CC)s1)C1CC1 1749527354 ASUANYOLQWIABX-UHFFFAOYSA-N 429.977 4.733 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1749760108 BZBFXRNNXDTMPH-VXKWHMMOSA-N 442.629 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCCN1CCCCC1 1760106137 AACVHVBZUOYZAU-NRFANRHFSA-N 430.600 4.607 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1760130770 LVGDVUZRFAADOY-GOSISDBHSA-N 428.552 4.755 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)c1ccccn1 1760227193 XZWGHZWNELCJLD-GOSISDBHSA-N 433.625 4.964 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1c(Cl)cccc1OC 1760296540 RJQSCQFLUTYWEV-JOCHJYFZSA-N 426.973 4.633 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CC[C@H]1C2 1760300130 AEVDUQWUOAQFTC-SQNIBIBYSA-N 431.378 4.932 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1760320396 UVRJUBOKKABYAW-OHCHIEETSA-N 438.616 4.876 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCCC1(C)C 1760328537 XIUFXDAIUCSRFK-XMSQKQJNSA-N 442.629 4.939 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1760384780 DWYWKHQLPMWBIC-UHFFFAOYSA-N 428.540 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1760385435 QVWLSZFYFWGGGZ-UHFFFAOYSA-N 439.560 4.570 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1760390896 OBACTUYCHBCUDS-NRFANRHFSA-N 439.604 4.637 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1760424808 VHBSEXMHMBNZLM-NRFANRHFSA-N 437.632 4.987 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@H]1C 1760429500 FFGIAAZDECURCZ-OAHLLOKOSA-N 425.360 4.745 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1csc(CC)n1 1760432935 WLJBFXYIIIPVRC-UHFFFAOYSA-N 435.395 4.657 30 10 IJEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1760440711 OWXDUFCJOSWSKI-LPHOPBHVSA-N 437.371 4.633 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760441332 DQKGRLZXDBQGEK-KRWDZBQOSA-N 428.631 4.749 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cccc(C(F)(F)F)n1 1760467303 XLOBFHNFKPUZMU-UHFFFAOYSA-N 431.462 4.558 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccs1)N1CCCC1 1760493695 LEDHGWHVGVWXDI-UXHICEINSA-N 427.618 4.597 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1760695423 HESCQROHHJYMBS-GOSISDBHSA-N 429.996 4.858 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C 1762644128 HDCUFANKPUEEBT-MRXNPFEDSA-N 436.560 4.620 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2)cs1 1764637680 BHIBEKQEWSLHPF-LJQANCHMSA-N 438.626 4.758 30 10 IJEE CCO[C@@H](CCn1c(-c2ccccc2C)nnc1N1CC[C@](F)(C#N)C1)C1CCCC1 1765780700 CRPCIWBFFHPLQU-URXFXBBRSA-N 425.552 4.681 30 10 IJEE CCCOc1cccc(CCn2c(-c3cccnc3)nnc2N2CCC(CC#N)CC2)c1 1766301006 CWXZHMGOIDGQAB-UHFFFAOYSA-N 430.556 4.502 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCc1nc(C(F)(F)F)cs1 1767087796 ICVCDMDUVMVZMO-UHFFFAOYSA-N 446.502 4.772 30 10 IJEE Fc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 1771525137 GXKCLRXGABELHQ-UHFFFAOYSA-N 447.358 4.782 30 10 IJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H](CCOc1ccccc1)C(=O)N1CCC(C=O)CC1 1860623032 SFYUYGCYWRYMSP-GATIMQMVSA-N 429.601 4.739 30 10 IJEE C[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)Nc1ccc(F)cc1 1860827629 WRGAXVQFYHGTDU-LLVKDONJSA-N 428.876 4.633 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862533744 NOEWUIAGWWOAAZ-NRFANRHFSA-N 432.432 4.529 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2C)cc1 1862554705 JEFGEULUMIUJDT-XMMPIXPASA-N 426.516 4.707 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862668526 AZINPKGZTZOTLE-NRFANRHFSA-N 438.480 4.802 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1862679003 YOHXCIDKMYTLLO-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3F)C2=O)cc1C 1863253620 QNRZKLKNVYZMLA-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(CCCc3ccccc3)C2=O)c1 1863495439 SJTHRGXNNTVSDU-UHFFFAOYSA-N 446.510 4.864 30 10 IJEE CC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866972384 ACYPXJQGMCRZDT-UYAOXDASSA-N 442.357 4.594 30 10 IJEE C=CCN(CC=C)c1cc(N(Cc2cccnc2)c2cccc(C)c2)nc(CCOC)n1 1869116548 NUQHKVQWQSYWKR-UHFFFAOYSA-N 429.568 4.886 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)CCc3ccc(Cl)cc3)cc2)CC1 1870155726 BQIKKTNJGPYAHH-UHFFFAOYSA-N 448.958 4.600 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1 1870162414 STJSSMZNCYIFGK-MOPGFXCFSA-N 435.915 4.713 30 10 IJEE C=CCOc1cn(C[C@H]2CCCO2)c(CSc2ccc(Br)cc2)cc1=O 1870244119 AEFQHTCQKUIPAZ-QGZVFWFLSA-N 436.371 4.647 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)CCOc4ccccc4)c3C)C2=O)c1 1871384299 PBZMBHUDMAPPBA-KQWNVCNZSA-N 430.456 4.994 30 10 IJEE Cc1ccccc1CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccs2)C3=O)CC1 1871397785 OWBGNMSEUNIXLH-IWIPYMOSSA-N 446.572 4.696 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871403998 FXJHUCSCVUXLGQ-VOMLJKFNSA-N 444.443 4.925 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871442894 OJZPEYIUQARIGC-NHDPSOOVSA-N 435.863 4.988 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871866798 XQXYYSYGYAGMLN-NRFANRHFSA-N 432.561 4.735 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1872250670 UUVBCCXFBSTMRA-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(F)c(F)c4F)CC3=O)sc2C)cc1 1872726425 WGBQNZDKRNXFAV-UHFFFAOYSA-N 445.466 4.651 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c(OC)c1 1872783855 JNNMXAYPTQGNAS-SFHVURJKSA-N 444.516 4.877 30 10 IJEE CCOc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 1873498947 SWMMWLSPFAFNFL-VULFUBBASA-N 434.879 4.948 30 10 IJEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1cnc2ccccc2n1 1873503609 RUDGIJBISKBBPA-KIBLKLHPSA-N 432.406 4.554 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1c(Cl)cccc1Cl 1874274361 QZAHAULFFAGLAM-PGCIDKTFSA-N 440.400 4.694 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)ccc1O 1874428689 WZNZOTIUOGAELI-AFUMVMLFSA-N 434.496 4.973 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2[C@H]2CCCO2)cc1 1874442234 WYGIATBEAJZPNR-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(Cl)cc2)cc1 1874445154 UKPUAEKEAJBDCA-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)cc2)cc1 1874452912 UQIBNCFEZOPMOZ-MFKUBSTISA-N 449.580 4.817 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2-c2ccco2)cc1 1874467434 IVRKTWCDOCUJPE-YDZHTSKRSA-N 442.541 4.500 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874511291 RUDJDNBYCRRYLT-GCMSVZMUSA-N 441.988 4.736 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)C)c1 1874512988 AOYRVPFDUKZMSB-YDZHTSKRSA-N 442.541 4.744 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1/N=C/c1c(F)cccc1Cl 1874520442 MZGYTEVWGHUNTF-FSJBWODESA-N 437.972 4.571 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(S)n1/N=C/c1cccc(OCc2ccccc2)c1 1874565005 BKAIHSGDLSSXTJ-BUVRLJJBSA-N 445.504 4.527 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1F 1874614638 LMRDXZLBONSNOQ-OUKQBFOZSA-N 435.451 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1c(OC)cccc1OC 1875127494 IKLKVBAMDCRHSE-BUHFOSPRSA-N 448.471 4.836 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccc(C)cc1 1875147830 NJLXMPIXPRGDJZ-JXMROGBWSA-N 444.483 4.819 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2cccc(OCc4ccccc4)c2)C3)OC1(C)C 1879732975 NVXBEOLUQOPQAK-HFZDXXHNSA-N 433.357 4.964 30 10 IJEE O=C(CCc1ccc(Br)s1)NCC#CCOc1cccc(C(F)(F)F)c1 1890440645 QUXIUHXVCQGOGP-UHFFFAOYSA-N 446.288 4.661 30 10 IJEE N#CC1(c2ccc(C(=O)N3CCC[C@@H](COc4ncccc4C(F)(F)F)C3)cc2)CC1 1890991718 KDOLRKLBIPPTBS-MRXNPFEDSA-N 429.442 4.587 30 10 IJEE C#CCCNC(=O)c1cn(-c2cccc(Cl)c2)nc1-c1ccc(Br)s1 1891401585 XCXFCSJBMNPTHQ-UHFFFAOYSA-N 434.746 4.770 30 10 IJEE CC1(C)OB(c2cc(CN3CC[C@]3(C)CCOCc3ccccc3)ccc2F)OC1(C)C 1892547794 ZPMWJNMZMIFRKD-AREMUKBSSA-N 439.380 4.696 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)c1nc(CNC(=O)OC(C)(C)C)sc1C 1922067243 AAAKHOFTIBSUHB-FQEVSTJZSA-N 431.602 4.900 30 10 IJEE N#Cc1ccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1952788375 IKLJNXWUKLLYDJ-NOZRDPDXSA-N 438.483 4.955 30 10 IJEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 1979983372 ZLOZWWCJXMUFMO-UHFFFAOYSA-N 435.487 4.858 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](N)Cc2ccc(Cl)c(Br)c2F)C1 2077087688 KUILYZBFNUBKIH-ZDUSSCGKSA-N 433.749 4.725 30 10 IJEE CCCOc1ccc([C@H](C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080075565 QQYBBWQKRQSIAU-ZDUSSCGKSA-N 435.309 4.809 30 10 IJEE CCc1nn2c(Cl)cc(-c3cc(Br)cc(C(F)(F)F)n3)nc2c1C#N 2081195831 RBBSWFRSAMOXEH-UHFFFAOYSA-N 430.615 4.660 30 10 IJEE O=C(NC[C@@H](Nc1ncc(C(F)(F)F)cc1F)C(F)(F)F)OCc1ccccc1 2106008060 BPRAJDPZEZNAQT-CYBMUJFWSA-N 425.304 4.509 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(c2cc(Br)cc(C#N)c2)C1 2174814367 HFOJKIQWTRVDIZ-QFBILLFUSA-N 434.378 4.937 30 10 IJEE CCC[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CCCN1C(=O)OC(C)(C)C 2181136960 LAKBSFMAIQFTGF-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2235723880 FMKHWYHVXDNXOE-BHIYHBOVSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2235727761 KNSWSCAIBRGVIM-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)C#Cc2ccccc2Br)C12CCC2 2235731947 YBMDWCVNRGWKOS-APWZRJJASA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2249580563 XOXHCPYVXBXHPD-RSQQPWMTSA-N 431.508 4.716 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255703424 RUXYPOMPXPKXLA-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)c1 2256026409 GDVCMVHHMVZKCR-UHFFFAOYSA-N 426.322 4.707 30 10 IJEE CN(Cc1ccc(I)cc1)c1ccc(C#N)c(Br)c1 2265597431 DEEBXBWQKFEVHZ-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267116798 APKCOCUXCHYKEW-IYARVYRRSA-N 444.381 4.547 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269005737 OEWQYMLNVMUEHT-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CN(Cc1ccc(Cl)s1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282642795 RXOKNIBRMOUKJH-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2296288873 LJXOLONCJDYFCD-RNQOJCNYSA-N 433.390 4.567 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC=CCN1C(=O)OC(C)(C)C 2296292426 YIFJYSNZARUWMQ-UXHICEINSA-N 433.390 4.734 30 10 IJEE Cc1cccc(NC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)c1C 2296957073 NFPUVSBEDNYWFC-UHFFFAOYSA-N 442.537 4.990 30 10 IJEE CCN1C(=O)COc2ccc(C(=NOCc3ccc(Br)cc3F)C3CC3)cc21 2318633504 FUKOEYYDRKNQSB-UHFFFAOYSA-N 447.304 4.664 30 10 IJEE N[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319721548 VYDSSVWVMPITHC-XDZVQPMWSA-N 425.528 4.740 30 10 IJEE COc1cc(C=NNc2oc(-c3ccccc3)nc2C#N)ccc1OC(=O)c1ccccc1 2320833961 JXPOQWLPHUQSPB-UHFFFAOYSA-N 438.443 4.887 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc4c3CN(C35C[C@H]6C[C@@H](CC(O)(C6)C3)C5)CO4)C2=O)c1 2322226449 ONWLRLNUQXCERA-YVXWMLCYSA-N 443.543 4.847 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC 2323094400 WTEFFRHGNSJEQJ-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)c1 2324014334 IGTCFJHZQYNKPY-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1Br 2324305001 KGKTWTUHZSLUDR-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)cc1 2325448877 BMTDAFURFUHJMS-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)c1 2328638880 SSJVJUUPWJURFQ-UHFFFAOYSA-N 429.549 4.641 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(OCC)cc1 2330303585 NIGOHPAPMSPSLP-UHFFFAOYSA-N 444.601 4.727 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(F)cc1 2330805413 JHPQHQDFAMEXCX-UHFFFAOYSA-N 443.523 4.758 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c1O 2330994124 UAVLWGRBNMBDDQ-GOSISDBHSA-N 444.944 4.672 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1N=Cc1sccc1C 2331222359 KHVSBHJMCASHAV-UHFFFAOYSA-N 431.587 4.531 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCC(=O)N(CC)CC)cc1 2331318226 IQWYAHGOLFXLFO-UHFFFAOYSA-N 445.633 4.642 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCC2)cc1 2331543902 NFESTJYPRMQTLN-SFHVURJKSA-N 433.581 4.706 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364735012 WJTKNLJDIPYXDZ-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)C#Cc2ccn(C3CC3)n2)c1 2365974879 HMHPLJCYKOXGPQ-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1 34954362 AZRSPFTUZXMBDF-LCYFTJDESA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)/C=C\c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)c(OC)c1 34955411 RTPQTUSEFVPZQT-WQLSENKSSA-N 448.471 4.836 30 10 IJEE CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)(O)O)NC(=O)CCC 77285520 BVVVVEVXBZVIFX-VLDWQCDLSA-N 449.569 4.999 30 10 IJEE in-vitro COC(=O)c1cccc(C#Cc2cccc(NCc3cc(=O)oc4cc(OC)ccc34)c2)c1 97220802 IJJASWOXVOSMSU-UHFFFAOYSA-N 439.467 4.600 30 10 IJEE COC(=O)c1ccc(/N=C2/S/C(=C\c3cc(Cl)cc(Cl)c3O)C(=O)N2C)cc1 100937612 JGQVSEFBJSFNDT-LJLXHGTCSA-N 437.304 4.719 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 107807414 BGIOKZULTSWVFK-UHFFFAOYSA-N 447.926 4.958 30 10 IJEE CCC(CC)c1nnc(S)n1/N=C\c1cc(Br)c(OC(C)C)c(OC)c1 169910517 AIUKSHGMNBTHRB-JMIUGGIZSA-N 441.395 4.911 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 169972080 FDBOIQLLMQSMEX-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(O)c(OCC)c1 169974628 DBMVHGKPPPQMOR-LJQANCHMSA-N 444.553 4.633 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1ccncc1 170019185 GYGHLBZZOMMSHT-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c[nH]c3ccccc23)c1 170073228 KEGMRUNJILATJC-QHCPKHFHSA-N 432.520 4.788 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)c1 170119407 XJFICRMNQMCEKC-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCO2 170155920 RECHDNGICAGBFL-OAQYLSRUSA-N 435.476 4.995 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)c1 170162898 YFUUSPZNEXMMEK-IBGZPJMESA-N 440.908 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170207083 CUKDPUAHMTWWCQ-LJQANCHMSA-N 426.806 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1C(C)C 170229973 JOKCIKANFFDINX-CVDCTZTESA-N 435.520 4.576 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(C#N)cc1 170272913 XAXWCNFOKJNMIO-XMMPIXPASA-N 436.467 4.585 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1CCCOC(C)C 170278205 URNTWQSQRVAOFQ-KOSHJBKYSA-N 449.547 4.712 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)c1 170296652 IDFYDHNQEHURKO-JOCHJYFZSA-N 435.451 4.638 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1c(C)[nH]c2ccccc12 170312379 MMHONMMYUNAWST-LFVRLGFBSA-N 430.504 4.788 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccn2)cc1 170413629 VWYTXMWGUBOBSX-DEOSSOPVSA-N 441.531 4.706 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)cc1 170428453 YCKPIMHEDMPXBE-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccc(C(=O)O)cc1 252600401 DQRXPUILNMMPHE-JWIFITGBSA-N 448.456 4.577 30 10 IJEE Cc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C)cc1C 252627200 ROSDVCHMGATMHX-QGZVFWFLSA-N 435.471 4.912 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1c(C)cccc1[N+](=O)[O-] 254866839 UVUUFMAJUKIHEJ-UHFFFAOYSA-N 434.481 4.526 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CC3(CC3)c3ccccc32)cc1F 434537252 ZNLCUNJFJKLZKH-UHFFFAOYSA-N 427.435 4.507 30 10 IJEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 436448204 DBLHOWPSACJELW-JTHBVZDNSA-N 448.482 4.510 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 460774633 OMFZEEBGYCGPGD-SFHVURJKSA-N 429.528 4.578 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2ncccc2C)n1C[C@@H]1CCCO1 461067270 OUSXKECFNFHHGW-INIZCTEOSA-N 429.977 4.735 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCc3ccccc32)n1C[C@@H]1CCOC1 461620724 STOHPTQHUNAYFL-FQEVSTJZSA-N 449.624 4.522 30 10 IJEE CN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 487916495 LZUQMFFYAZATNJ-XMMPIXPASA-N 443.478 4.562 30 10 IJEE COC[C@H]1CC(=O)C=C2C(Cl)=C[C@H]3[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]4(OC(C)=O)C(C)=O)[C@@]21C 504807668 GXMMOJSSTKHQSR-CUJRIJNPSA-N 448.987 4.624 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 508863424 INUOOHZGSKHQED-GHTZIAJQSA-N 436.581 4.731 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CC(C)(C)OC2(CCCC2)C1 508868064 SMZSZOBMRBCKFQ-UHFFFAOYSA-N 428.602 4.693 30 10 IJEE COc1cccc([C@@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526521885 OFBSVSSFZXNDSL-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1[N+](=O)[O-] 526821021 WBZBIWDUQYQGIE-JAIQZWGSSA-N 446.330 4.686 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 567022123 PUPBLZBVWVIPSH-OAQYLSRUSA-N 449.555 4.910 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 585193281 IFJNTDFLNASINP-UHFFFAOYSA-N 435.890 4.663 30 10 IJEE O=C(N[C@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1cccc(Cl)c1 585827241 WUVBJVHGMOMMRW-GCNHAWSASA-N 437.754 4.780 30 10 IJEE COc1ccc2c(c1)c(C(=O)NCc1ccc(C#N)cc1F)c(C)n2Cc1ccccc1 609971207 OIXGNEPMLNUFBC-UHFFFAOYSA-N 427.479 4.947 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1 610320047 OKUNZLSWEUYVCM-QFIPXVFZSA-N 438.491 4.585 30 10 IJEE C#CCCCCC[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 686703942 FZNNFPHXAHWVRF-DNQXCXABSA-N 429.649 4.964 30 10 IJEE [N-]=[N+]=Nc1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 708111937 XRAZLYLBQWFQCZ-NRFANRHFSA-N 444.447 4.868 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1ccc(OCC#N)cc1 733374521 LAOAFZAJKCPZDV-FQEVSTJZSA-N 449.334 4.784 30 10 IJEE C[C@H](c1nnc(SCc2cc(Cl)ccc2OCC#N)n1-c1ccc(F)cc1)N(C)C 735230399 AISAEUGDPDGPID-CQSZACIVSA-N 445.951 4.877 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 744839146 HDRHMHXFLHYDDI-ORAYPTAESA-N 435.307 4.839 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 745442654 XOATZFMYLURYME-UHFFFAOYSA-N 433.798 4.591 30 10 IJEE Cc1cc[n+](/C(C(=S)N[C@H]2CCc3ccccc3C2)=C(/O)c2ccc(C#N)cc2)cc1 762439602 MBWKAVMDDOLOTI-QHCPKHFHSA-O 426.565 4.513 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 774581713 XFGYECAEUOYMQU-UHFFFAOYSA-N 431.414 4.703 30 10 IJEE C[C@H]1CN(/C(=N/Cc2ccccc2Cl)Nc2cc(C(C)(C)C)ccc2O)C[C@@H](C)N1 1088663253 CROGPZKLAPMMNW-CALCHBBNSA-N 429.008 4.993 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1125441929 DAPKYAIKGLOQSO-DEOSSOPVSA-N 443.544 4.623 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl)c1ccc(Cl)cc1F 1129735296 LEKGLMVEGUTDLE-GOSISDBHSA-N 434.273 4.929 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CSC(c2ccccc2)=N1 1136558025 ZQHJHUAJVAZIDW-SFHVURJKSA-N 433.346 4.665 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)CCCN1C(=O)OC(C)(C)C 1137795910 QRNVPUCUCXHIRR-ATIYNZHBSA-N 441.616 4.768 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 1137861157 YUKVVUICNHSFAB-GOSISDBHSA-N 441.919 4.599 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1)c1ccccc1 1158326241 VHSMGPZFDZSBGI-TZIWHRDSSA-N 430.386 4.775 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2nc(CC)cs2)nnc1-c1ccc(Cl)cc1 1162782794 XKVIPETWCFQMRL-ZDUSSCGKSA-N 448.017 4.773 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)c(F)c1 1190335945 DMVXFVSNAYTJHX-IBGZPJMESA-N 437.521 4.569 30 10 IJEE C#CCN(C(=O)Nc1c(C)noc1-c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1216591921 WSFZLXKJFJBFKN-UHFFFAOYSA-N 438.528 4.517 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3nc(C4CCCCC4)cs3)CC2)c1 1219795198 DVXWUQHUQRLORE-UHFFFAOYSA-N 437.569 4.945 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CC1 1221449240 GINJUQGTKCRSAJ-UHFFFAOYSA-N 440.950 4.694 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1221953140 HAQSNELUBNYRRU-OAQYLSRUSA-N 443.494 4.571 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1)[C@@H]1CCCc2ccccc21 1222683823 CFIXNUJMGPRABH-VGOFRKELSA-N 430.508 4.529 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(CCC(F)(F)F)n1 1264905948 SZJMTNOBXZWQQR-UHFFFAOYSA-N 434.231 4.566 30 10 IJEE C=CC[C@]1(C(=O)NCC2(c3cccc(OC)c3)CCCC2)CCCN1C(=O)OC(C)(C)C 1265081336 YPIHNXVQTIMBQO-AREMUKBSSA-N 442.600 4.969 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(-n3ncc4ccccc43)cc2)CCCN1C(=O)OC(C)(C)C 1266546482 RTVHEJLKEOZWDU-SANMLTNESA-N 445.519 4.724 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCCC1 1286279086 SGTUVCQKNLBECL-QZTJIDSGSA-N 430.980 4.615 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCC1(F)F 1286399579 JMGHEMKAZXWKBC-MSOLQXFVSA-N 446.929 4.970 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC[C@@H](C)N1CCCCC1 1286420818 SUSGFZMJGKFDPC-ILBGXUMGSA-N 431.628 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2cc(C)ccc2C)CC1 1286547050 MRUPRPHYFKPWSR-FJIJXJHWSA-N 437.632 4.716 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2c(C)nn(C)c2C)CC1 1286654663 IHKFLCRFPVJYAT-UHFFFAOYSA-N 428.943 4.539 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286682214 HJKYPDZURXDYFL-NRFANRHFSA-N 439.604 4.967 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1 1286688286 WCRUBZKSYMAHBI-PMACEKPBSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@@H]1OC)C1CC1 1286735077 MWHYMZWXWDFTIZ-PXNSSMCTSA-N 445.405 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1ccc(C#N)o1 1286750090 OZQUTGCRJWLKMP-UHFFFAOYSA-N 429.549 4.944 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286795622 KVUJPDRYJNEXGT-UHFFFAOYSA-N 432.572 4.709 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C2CCC1(C)CC2 1286827307 KJTBODOQMKAQBW-UHFFFAOYSA-N 428.602 4.793 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)OCC 1288354396 LSDUXYOQEIPHLA-IBGZPJMESA-N 449.334 4.873 30 10 IJEE N#CCOc1ccc(CC(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)cc1 1289065415 DEOGHWSJMQCBPQ-UHFFFAOYSA-N 429.263 4.659 30 10 IJEE C=CC1(CC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CN(C(=O)OC(C)(C)C)C1 1292514631 HIBMLBLQFKBACA-UHFFFAOYSA-N 425.356 4.691 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1300368120 NSCTXAGYSFWSRT-HSZRJFAPSA-N 448.659 4.548 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1300402925 FPMYHMARADQJKW-NVXWUHKLSA-N 429.446 4.648 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)c1ccccn1 1300602682 SUEQBOAPELHQSX-NRFANRHFSA-N 431.584 4.867 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1ccsc1 1300606192 IOEOJFOKZOFPIK-MWTRTKDXSA-N 440.638 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](SC)C1 1300877933 YIJYACZAGJYJSE-VWPQPMDRSA-N 426.630 4.957 30 10 IJEE C=C(C)Cn1c(N(C)[C@@H](C)c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300965464 PZQINDWHSWHZSK-YSIASYRMSA-N 425.577 4.822 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(c2ncc(C)s2)CC1 1300996816 JYEXJHZNHBKRFK-UHFFFAOYSA-N 429.634 4.752 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCCN2CC)CC1 1301075816 QWZAZETYXSAKKX-LJQANCHMSA-N 429.996 4.638 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 1301139926 XQEYNCNBTFHXKI-KOSHJBKYSA-N 428.552 4.776 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301176322 WRMBODBAEKOQQK-QZTJIDSGSA-N 446.437 4.983 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@@H](C)C1 1301241841 XKPPIIBBKSIQAN-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1N(C)CCCC1(C)C 1301280490 NDEAPQIGOTYFHW-LJQANCHMSA-N 446.437 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC(F)(F)C1 1301365369 MTHUIQLWKGGLGO-GOSISDBHSA-N 446.571 4.829 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@](C)(O)c2ccsc2)cc1 1304431176 CNZDLAOLYKMHSF-VGOFRKELSA-N 441.626 4.586 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1C 1307266776 SWOBQOCYASEYQN-UHFFFAOYSA-N 432.593 4.768 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C1=Cc2ccccc2CC1 1309139998 YDLKCXBVCDFCMR-UHFFFAOYSA-N 436.346 4.893 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1313001735 MEBIDXXSIZSPJC-FVCCEPFGSA-N 434.371 4.934 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCCc1cccnc1)c1ccc2c(c1)OCCO2 1348530414 UTRAFRKEMSDRSP-UHFFFAOYSA-N 444.531 4.974 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2cc(Br)ccc2F)C2CC2)c(OC)c1 1353229033 OQOYMABRGCOYBK-UHFFFAOYSA-N 448.332 4.895 30 10 IJEE CCOC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)c(Cl)c1 1357267448 FPSLJIXXLBWEFV-UHFFFAOYSA-N 430.848 4.601 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)c1ccccc1 1357995455 JFIPUXIFINHQQZ-LJQANCHMSA-N 425.330 4.777 30 10 IJEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C)=C(Br)C1 1358925307 AFFOWHNSHGXFAJ-UHFFFAOYSA-N 436.357 4.786 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCc2cccnc21 1358972540 ISNIIQDCJSURNZ-HSZRJFAPSA-N 437.591 4.831 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Sc1ccccc1 1358988717 AFZXYYFWUSUIQY-SFHVURJKSA-N 435.984 4.637 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1F 1359125767 RTEHATXWDOMIOU-IBGZPJMESA-N 447.530 4.841 30 10 IJEE C=C(Cn1c(N2CCC=C(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1359141196 ZDVSHDLEZPZESH-SZPZYZBQSA-N 449.599 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@H]2CCCCO2)CC1 1359160812 FEPIMNOXWUXALU-QGZVFWFLSA-N 449.368 4.962 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCCC2)CC1 1359160929 JTLAGFILEKTAPV-UHFFFAOYSA-N 434.382 4.541 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCC(F)(F)C2)CC1 1359172863 KUEVUEQKKWCMFD-SFHVURJKSA-N 437.579 4.815 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1359188285 KPJNEFWYSPPIIS-UYAOXDASSA-N 430.980 4.616 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359201261 IEWMDMOMSXFADQ-KXBFYZLASA-N 433.478 4.939 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC(c2ncc(C)s2)CC1 1359225100 MXFCSZZFHIWTRX-UHFFFAOYSA-N 437.613 4.995 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1359247454 CFVHWUNGDFGBJS-OAHLLOKOSA-N 439.585 4.686 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H]1CCCCN1C1CC1 1359261089 WBNXHDLTKVQZNV-QFIPXVFZSA-N 425.596 4.825 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC[C@H](C)C1 1359270291 JVSYWGUWXMUOTJ-PMACEKPBSA-N 446.599 4.680 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1Cc1nnc(C(C)(C)C)s1 1359275330 QSUDVXPOOKLHGG-UHFFFAOYSA-N 436.629 4.978 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncc(CC)s1 1359276358 AFXKKJCKYGPLDZ-UHFFFAOYSA-N 444.564 4.712 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cscc2C)C1 1359313552 NWSGDHQBMDVJIE-HKUYNNGSSA-N 442.560 4.757 30 10 IJEE CC(C)N(CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1360128137 AWNURZFKNHQYMI-QHCPKHFHSA-N 429.012 4.847 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)n[nH]2)c1C 1440330122 VFZVJUFISYENCV-UHFFFAOYSA-N 440.507 4.581 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1450325071 HZSDVPJITKNRIS-HSZRJFAPSA-N 431.511 4.747 30 10 IJEE C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 1458347057 GGZRVJHZRKDDNS-SQJMNOBHSA-N 439.559 4.778 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@@H]1C 1458784867 VWJXOHIJWXGAFG-LVCYWYKZSA-N 427.614 4.910 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nn(C)c(C(F)(F)F)c1Br)c1ccc(F)c(F)c1 1459181446 HEXGJSKJTAWLMW-GFCCVEGCSA-N 438.194 4.527 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1C 1459557281 GMENWEOVNLYEDS-OAQYLSRUSA-N 439.003 4.582 30 10 IJEE C=CCCOCCCCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1461470011 XMNHNTRDQQEWIO-FGZHOGPDSA-N 448.579 4.798 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)OCc3c(OC(F)F)ccc4ccccc34)cc2C1=O 1461978046 MSZIBMTVERNYIP-UHFFFAOYSA-N 437.398 4.580 30 10 IJEE CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1C 1463495082 AHIDWCQQBUABDL-GOSISDBHSA-N 448.544 4.750 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(Cl)nc([C@@H]2CCCO2)n1 1472736778 AFRJWMSCBCMBDD-INIZCTEOSA-N 443.960 4.798 30 10 IJEE N#Cc1cccc([C@H](O)CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 1473295189 CWTUKSQQAJTOFH-CLJLJLNGSA-N 431.967 4.652 30 10 IJEE C=CCCCCCCNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1475280720 JCGZRKSYRJJEME-UHFFFAOYSA-N 429.405 4.987 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(Cl)c1 1477146966 KEQXIMZDRKBXJD-SFHVURJKSA-N 447.926 4.708 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2)c1ccc(C(F)(F)F)cc1 1478272258 KFXAOOPJWUTOOZ-GRGSLBFTSA-N 439.478 4.631 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1478895897 IRMYSQCUUCKNFJ-PWRODBHTSA-N 439.943 4.504 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H](C)C1 1502164056 GDOFZFQRCMFZHT-FQEVSTJZSA-N 448.640 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1507543788 XTPDDJSYQGJFHB-NGYIFUPDSA-N 434.609 4.865 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccsc1 1507655343 GXVXNVAAEICXGL-UHFFFAOYSA-N 445.375 4.541 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC1CCC(OC)CC1 1507701585 LNLOWDDVJORQPQ-IQWMQGJTSA-N 440.563 4.504 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1507859883 GJJQDUPTFHPTEJ-QGZVFWFLSA-N 441.929 4.717 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cccnc2OCCCC)CC1 1507885787 OIXQBWVJFRRZFK-UHFFFAOYSA-N 447.583 4.656 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCNC(=O)c2occc2C)CC1 1507896682 JCSWELFULNAVKD-UHFFFAOYSA-N 447.583 4.631 30 10 IJEE C=CCCCCn1c(N2CCC(c3nc(-c4ccccn4)no3)CC2)nnc1C(C)(C)C 1507937229 NYHWOHMWZYFECG-UHFFFAOYSA-N 435.576 4.761 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1508011243 AXEKMXIVTAWZKP-UHFFFAOYSA-N 442.567 4.935 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1508038271 HIUWSEOVHYKYOL-SFHVURJKSA-N 436.934 4.597 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1508046809 IHDVWVYOLDZDKN-UHFFFAOYSA-N 432.494 4.817 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cc(C(C)(C)C)no2)C1 1508118297 UXOJBPBLUURLMZ-FQEVSTJZSA-N 435.572 4.623 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1508412337 AWUHGFSWQGGOKL-CEYNDMKZSA-N 434.588 4.798 30 10 IJEE CC(C)(C)OC1CC(CCn2c([C@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)C1 1508676377 ADGWQDMOHCLAGX-XVAXZDLZSA-N 429.609 4.634 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)(C)C)cs1 1513742229 AKPRVYXHBPYDIM-LJQANCHMSA-N 438.601 4.533 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)CCCN1C(=O)OC(C)(C)C 1517975922 PNNRJHQHHOQRKY-BWKNWUBXSA-N 446.588 4.623 30 10 IJEE C#CC[C@]1(C(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)CCCN1C(=O)OC(C)(C)C 1521634110 JODHZKLZQQRXEY-AJTFRIOCSA-N 438.612 4.994 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)c2cc(Cl)ccc2Oc2cccc(Cl)c2)CC1 1525698383 ANVJZBYUECRRKA-UHFFFAOYSA-N 433.291 4.705 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)c1ccc(Br)cc1 1528088839 ROYGBFQJNRVBHP-LJQANCHMSA-N 441.350 4.518 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)cc1OC 1528321302 OQXNTSMEQFVUPP-TYZQSYOASA-N 435.442 4.876 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cc(Br)c1)c1ccc(Cl)cc1 1528474053 CXJBQWXYTJCXCP-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE COc1ccc(C[C@@H](C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 1529813120 CFSWFHCZBBLGEP-GOSISDBHSA-N 430.504 4.972 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1531552254 BJNZQLXESCCBBB-OXQOHEQNSA-N 428.326 4.510 30 10 IJEE C=CCCCCCCNC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1532061414 WJMJGHCMXANMDN-UHFFFAOYSA-N 445.283 4.915 30 10 IJEE Cc1nc(SCC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)c(C#N)c(C)c1C 1533995516 CKFYAIREUNHOHP-ZDUSSCGKSA-N 436.350 4.750 30 10 IJEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1534014824 GYTOEADRLUANLB-GFCCVEGCSA-N 448.338 4.851 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1539077688 HZOJQCUWWMYPAV-HNNXBMFYSA-N 429.540 4.913 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2ccc(Br)cc2)no1)c1ccccc1 1539185570 GOEDBJNVILHQJC-SANMLTNESA-N 431.311 4.957 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1Cc1cccc(C(F)(F)F)n1 1539305057 NPKGAYLWJIKWKI-UHFFFAOYSA-N 449.436 4.616 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1539371210 QQFFVJFOECGOTE-GJZGRUSLSA-N 426.433 4.900 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1CCC(OC)CC1 1539392958 XUTLKQBBINZVOW-UHFFFAOYSA-N 426.580 4.851 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCSC1 1539538029 AFLFYBLZDDSPJP-YDIMBITNSA-N 440.613 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1539906363 MTPAKBTXRIOLOP-UHFFFAOYSA-N 447.583 4.793 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1539926472 NMOBSHMAFIWTDK-VWLOTQADSA-N 426.580 4.850 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1539947519 KLDDAVLVZWTQJQ-MZKRTTBSSA-N 433.625 4.954 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1540006190 AIFBBYFXCZOKJM-ZCYQVOJMSA-N 431.584 4.834 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(OC)C1 1540029822 ZRMXWHNXPINPSH-XMMPIXPASA-N 444.645 4.874 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)c1ccc(F)cc1 1540171996 MAYFNOXVYVXGBC-IBGZPJMESA-N 430.531 4.638 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(c2ccsc2)CC1 1540863706 CEUOSAXBJWIAFU-QFIPXVFZSA-N 449.624 4.568 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C)s1 1540881504 KYARXUHBHNEYJW-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C2CCC1(C)CC2 1540907745 HAQBKOBTIPAQHY-UHFFFAOYSA-N 425.602 4.588 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 1542973529 PWFLKXYCGZJUEV-UHFFFAOYSA-N 430.390 4.627 30 10 IJEE CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H](COC)Cc1ccccc1 1543459234 DVPAMOLBNYYGHW-RUZDIDTESA-N 428.532 4.857 30 10 IJEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CCC1 1554706151 CPBVJUVLRRGPJG-FQEVSTJZSA-N 437.588 4.560 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccc(OC)cc1 1559321051 BEUFGONCXNGJLY-FQEVSTJZSA-N 441.528 4.545 30 10 IJEE COc1ccccc1N1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 1562432815 GFWOYYKLZDCDQR-IBGZPJMESA-N 446.482 4.899 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](C)C[C@H]3c3ccc(CC)o3)ccc2c1=O 1566092110 VXPZPBJAHPHTIX-QRWLVFNGSA-N 437.565 4.640 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)C1 1583967920 PQBRYWLTJYWBTI-BXUZGUMPSA-N 425.314 4.518 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1Br)O[C@H](C)C2 1584220081 HIBOTGZHEJSUNN-ISTRZQFTSA-N 441.325 4.785 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1587587205 ZMAJXTQQRUITGK-QGZVFWFLSA-N 449.555 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCN(CC)C1 1589615677 SNMRBEVDSWUMNE-OAHLLOKOSA-N 438.439 4.513 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1593600454 JKSMDAVZOIUBLV-ZDUSSCGKSA-N 448.320 4.901 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1593878298 HAARJNMMMDMJAX-PMACEKPBSA-N 434.943 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1594077777 UFEOMUSDPXYJRJ-OALUTQOASA-N 444.023 4.643 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1594128779 WEEGDWILRNCGNA-ATIYNZHBSA-N 437.632 4.832 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1[C@H]1C[C@H](c2ccccc2F)C1 1594559662 PPKYMSHGWHAZKY-DBXWQHBBSA-N 425.552 4.670 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1594651544 MQYYGNQWZZFYER-UHFFFAOYSA-N 437.588 4.869 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)C(C)(C)C 1595076012 QTYWBKPUWGLDMJ-HSZRJFAPSA-N 449.599 4.911 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCc1csc2ccccc12 1595297491 RFRQJVOKSJLEDN-FQEVSTJZSA-N 426.586 4.616 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccc(F)cc1)C1CC1 1595330492 VBJVICSPQFSMAY-UHFFFAOYSA-N 430.325 4.540 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1595900565 GBDOJIQJSZTCRW-HXUWFJFHSA-N 432.659 4.659 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3ccccc3OC)N3CCCCC3)c2c1 1611833668 AREWITXKXVIQRF-QFIPXVFZSA-N 446.551 4.771 30 10 IJEE CCC(CC)(Cn1c(C2CCC2)nnc1N1CCN(c2ccccc2C#N)CC1)SC 1613492541 GWTIMFASWJNCGQ-UHFFFAOYSA-N 438.645 4.666 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnc(Cl)c(Br)c1C)C(C)C 1623632118 GPHWUQIEGRIDRZ-HNNXBMFYSA-N 429.790 4.626 30 10 IJEE N#Cc1cccc(C2(NC(=O)Nc3nc4c(Br)cc(F)cc4s3)CC2)c1 1628046544 CXYBZEBKKBEWPU-UHFFFAOYSA-N 431.290 4.880 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)c1ccccc1 1629366783 JBTRYYNUUQUDRP-PKTZIBPZSA-N 426.582 4.559 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1OCC(F)(F)F 1629890268 GJJIVQPWVUPCPU-KRWDZBQOSA-N 444.494 4.802 30 10 IJEE Cc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc(Cl)c1Br 1632424868 FHCIETALPBUCPR-UHFFFAOYSA-N 432.749 4.635 30 10 IJEE C#C[C@@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccc(Cl)cc1F 1635191264 FNQBZQOMEZKNCZ-AEFFLSMTSA-N 447.894 4.643 30 10 IJEE COC(=O)c1ccc(COc2c(Br)cc(Br)cc2C#N)cc1F 1641454887 GVWOSVGWEUFDIZ-UHFFFAOYSA-N 443.066 4.588 30 10 IJEE C=CCn1c(Sc2ccc(C#N)c(Br)c2)nnc1-c1ccccc1OC 1642017313 WQJLULNNROHWIM-UHFFFAOYSA-N 427.327 4.925 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@H]3[C@H](O)c3ccccc3)c2)c1 1644024667 BCJFUEHUTQYIFX-IZZNHLLZSA-N 426.516 4.866 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ncccc1C 1649540408 VPZVOFPWLBQPQG-QGZVFWFLSA-N 428.565 4.587 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1c(C)sc(C)c1Br 1657143431 NJROONWMWSZAFQ-QGZVFWFLSA-N 438.412 4.829 30 10 IJEE C=CCOc1c(Br)cc(CNc2cn(C)nc2Br)cc1OCC 1657637152 RSSZYINMTITJRK-UHFFFAOYSA-N 445.155 4.521 30 10 IJEE C=CCN(CCc1ccco1)[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1657971157 FAIZEABVKQQBLE-HXUWFJFHSA-N 431.374 4.885 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(F)cc1I 1659682850 YBJOTKPFZOLJPJ-UHFFFAOYSA-N 440.256 4.972 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1666799611 PTYVMTFCAVQEJP-FGZHOGPDSA-N 448.629 4.748 30 10 IJEE O=C(Nc1cc(F)ccc1OCC(F)(F)F)N[C@H](CO)c1ccccc1C(F)(F)F 1667661612 ACRCUIZMBPBNRE-CQSZACIVSA-N 440.315 4.641 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(Br)cs3)cc2)nc1 1668478487 BOILRRPKBGXFHI-UHFFFAOYSA-N 429.299 4.891 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1674519310 XVARKFGXOAEEQM-VWLOTQADSA-N 430.504 4.821 30 10 IJEE C=C1CCC(CNC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)CC1 1675511412 RHZZEAOXGPUUTB-UHFFFAOYSA-N 432.612 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCCCC1 1689863350 SEVYWBYAWLJIGA-QFIPXVFZSA-N 437.632 4.623 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC[C@@H]2CC)CC1 1690111766 JQCMZSUJNSGUPQ-HJOGWXRNSA-N 449.643 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(CCOC)CC1 1690193799 SBOOLEAKSAZSMC-SQJMNOBHSA-N 436.600 4.844 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@]1(C)CCO[C@@H]1C1CC1 1690271201 HWFGUWTZDSQOGS-VWNXMTODSA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1690281314 JAFZFEMEMOKRRC-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690335605 CBVDJLZYTLXMQX-HXUWFJFHSA-N 430.911 4.688 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2snnc2C)CC1 1690398847 IEKNAORRQBCWHG-HNNXBMFYSA-N 444.992 4.682 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1CCc1ccc(Br)s1 1690528563 ADGCAYFXRZPNRO-UHFFFAOYSA-N 447.402 4.566 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)c(C)c2)n1CC1(C)COC1 1690579366 KHNJYLHKSPNAGS-UHFFFAOYSA-N 438.597 4.765 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCCN2CCC)C1 1690690252 UYPLAZMWDNWNPA-FCHUYYIVSA-N 444.023 4.644 30 10 IJEE C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)c1nccs1 1692732486 HRGUSSHREBUPQF-YTSMVRMISA-N 442.633 4.587 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C(F)(F)F)cs2)[C@@H]1C 1693710004 HKSHZYZZHKCIBE-ZIAGYGMSSA-N 446.502 4.769 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CCOCC1 1705521269 WFVAKAMCYYHAGB-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705527172 SASJYEJGZUPZAR-FQEVSTJZSA-N 446.599 4.807 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1C(F)(F)C12CCC2 1705576242 IBSKHTOGPJSNHL-QGZVFWFLSA-N 435.305 4.760 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@@H](C)C1 1705604219 HYCDGFBCZJVBJG-UFYCRDLUSA-N 445.007 4.963 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(C)CCCC1 1705621731 MOXRJBGXWQYMHV-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705661192 VEMSXPHRCZQPQT-DZFGPLHGSA-N 429.033 4.904 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1705695681 JRHNCYPAEXQQOQ-LAUBAEHRSA-N 443.954 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2ccc(OCC)cc2C1 1705700920 AGEVOVHGMOPDMV-RDPSFJRHSA-N 438.616 4.809 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC=CCO1 1705711827 GFOHIEFRLLSJPK-OAQYLSRUSA-N 434.540 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)N1CCC[C@H](C)C1 1705713652 NQYOULXNSNENCD-IBGZPJMESA-N 439.604 4.587 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705762977 MPJGLPKLGMSLSK-OWHZGTRUSA-N 426.605 4.988 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705776357 DWCHGYGSSLKSQF-NXMSCROESA-N 430.568 4.757 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1705779670 SFZQYSDTDQDFEE-UHFFFAOYSA-N 447.583 4.783 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC2(CCC2)C1)C(C)C 1705867747 VCICUZXKXYEIOY-HSZRJFAPSA-N 434.632 4.728 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)C1CCCCC1 1705882255 QQTURWFBYQKRBM-VWLOTQADSA-N 438.572 4.661 30 10 IJEE C[C@H](CN1CCCC1)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1706816373 ALZISNSFCONFPA-QZTJIDSGSA-N 447.052 4.694 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1722309147 VUXVGKWBPVOAOW-NQIIRXRSSA-N 430.593 4.939 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(F)(F)F)CC1 1722327338 YPGLEXQMMFROCK-UHFFFAOYSA-N 428.405 4.739 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](CC)N1CCCC1 1722344337 INTPCBCFQOBWMR-PZJWPPBQSA-N 444.023 4.632 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1cccnc1)C(C)C 1722406593 RYRBLUJCXQMCPD-OAQYLSRUSA-N 439.510 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C(=O)NCC 1722502245 MHIKVCBSIMGQSX-UHFFFAOYSA-N 438.403 4.817 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2sc(C)nc2C)CC1 1722562738 KEMQVGYBMXFMJL-UHFFFAOYSA-N 439.585 4.630 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(CC)CC1 1722678101 LKPPRXKFVMLDQT-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722688076 IWDSMNJRNLOGEX-UHFFFAOYSA-N 448.615 4.762 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1722923771 ATUJLVCHLWDJHR-DHIUTWEWSA-N 446.599 4.788 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(C)CCCS1 1722957821 BALZUKYCLGOMTC-RDPSFJRHSA-N 439.629 4.602 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCCc2cccc(C)n2)c1 1724175444 GEZPSWGOXFBQGP-NRFANRHFSA-N 432.572 4.549 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1C(F)(F)F 1740561628 DOHASWIPALQCLP-KVSKMBFKSA-N 434.506 4.722 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1740720270 UGRCONRINVCVNS-QFIPXVFZSA-N 434.609 4.927 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCC1(COC)CCCC1 1740734376 BGFBIMDDMZCFTP-RUZDIDTESA-N 436.600 4.755 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740741669 PBFSTOGCRIKDNT-OAHLLOKOSA-N 441.295 4.864 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1740806666 DBVSHZBMLAYOKH-KRWDZBQOSA-N 434.968 4.500 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)CC1 1740863699 DIZSCSHWGGUXHC-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1740872137 ZETAFSIRHBIICA-AUUYWEPGSA-N 449.368 4.817 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C(C)C)N1CCCC1 1740892539 XBVDBQYIETULRE-YADHBBJMSA-N 425.621 4.778 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CCCCC1 1740928929 ANQJRJMCONBJMY-UHFFFAOYSA-N 428.584 4.553 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1741409053 AMKJQTVWLVCZHM-GREBRCKQSA-N 427.980 4.790 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1748737116 XMGHTJZPKXPAIE-UYAOXDASSA-N 442.991 4.738 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)C1CC1 1748902083 HCNIJBPFROFEFC-UBFVSLLYSA-N 444.623 4.853 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1749187489 NMHCBOBNSQWMMK-LJQANCHMSA-N 434.588 4.514 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)=C(C)C1 1749386147 BGNHUUHJZXPRAB-UHFFFAOYSA-N 427.980 4.764 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749390613 HJDHGGDRXYGAQS-MOPGFXCFSA-N 432.515 4.766 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1749520903 DGNHFENPIRFGMY-KBMIEXCESA-N 425.596 4.673 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1C 1749536125 ATTFTPASWMWKDC-CTNGQTDRSA-N 430.556 4.554 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)N(C)C 1749538439 IWUXVSXWLUAKFB-QHCPKHFHSA-N 446.624 4.841 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCc1nccc(C(F)(F)F)n1 1749540826 CKDUSRDBBXNSBS-UHFFFAOYSA-N 448.468 4.785 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1749553049 DURMVOKDEFQABU-SFHVURJKSA-N 433.622 4.644 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1749586927 AOFMZRDOQQPGDE-OZXSUGGESA-N 445.567 4.993 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749620758 QEHXGAPTLQBZLC-UXHICEINSA-N 440.588 4.572 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1749745654 CRLPFBSYBGBJFQ-ICSRJNTNSA-N 427.574 4.932 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1750574238 FBJFRZCQTIHTAM-OAQYLSRUSA-N 431.588 4.616 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ccc(F)cc1 1751208821 HROBHXLZIKXLDL-ZCLUNYJNSA-N 427.568 4.878 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC(C)(C)C1 1752311574 CYRKGMKENHKBLT-WIYYLYMNSA-N 432.572 4.585 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C#N 1752565828 HQXYMXBMLICEOH-WYEJZRMESA-N 441.620 4.548 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1CC(C)(C)C1 1760227212 YNNXMCIPFLWVHX-UHFFFAOYSA-N 431.378 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H](C)SC 1760288572 GNOVSTVVDCNBNN-IUKKYPGJSA-N 428.602 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC[C@@H](C)N1CCCCC1 1760298164 XSOJQWHXUTXVPK-AJTFRIOCSA-N 449.643 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1760340786 ODNQRDLLYDELTQ-PMACEKPBSA-N 429.584 4.519 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760361268 VHTCRRKANBVKSY-FCGDIQPGSA-N 440.579 4.517 30 10 IJEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1760371601 FRXKORHGKWEGAU-CYBMUJFWSA-N 444.764 4.979 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 1760375035 CZMCCOBWPOSXHX-HOTGVXAUSA-N 438.016 4.627 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1760420131 JLPJTUZPLGEMIP-RPWUZVMVSA-N 445.611 4.875 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760429260 WRVZKSQMMVTYFX-JOCHJYFZSA-N 438.616 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCc2cccnc21 1760491202 XGWOZVMEZBKTHZ-HXUWFJFHSA-N 430.512 4.547 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(C)C)C2)cc1 1760531102 CRTBAMCFTSAMLK-QHCPKHFHSA-N 431.584 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCC)C1 1760539873 XHNNMVBZFKILOW-GOSISDBHSA-N 433.394 4.988 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@@H]2C)CCC(C)CC1 1769782022 GGBADPFIUCZKKL-ZUTOOIKMSA-N 437.588 4.559 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(CC(C)C)CC2)cc1OC 1770056930 DHRUESVVUSDLCL-XMMPIXPASA-N 437.588 4.919 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(C(C)C)CC1 1771110231 ICCMRUZCBKLUTN-SFHVURJKSA-N 441.645 4.934 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)CCC1 1771416281 HRXHBKXPOPWMRR-QGZVFWFLSA-N 437.569 4.805 30 10 IJEE CCOc1ccc(N=Nc2c(C)c(C#N)c(=O)n(Cc3ccccc3)c2O)c([N+](=O)[O-])c1 1772741597 XBDJKPKNWDUEDC-UHFFFAOYSA-N 433.424 4.505 30 10 IJEE CN(C)c1ccc(/C=C2/SC(=NN=Cc3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 1772757113 ACTTVGHSZXFOOP-ISIQRHQGSA-N 448.523 4.991 30 10 IJEE O=C1/C(=C\c2cccs2)SC(=NN=Cc2cccc([N+](=O)[O-])c2)N1Cc1ccco1 1772758801 DQVJLCNIPSOCAE-WPILSZEVSA-N 438.490 4.756 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12 1858243280 VBHSBIQPDUIREW-UHFFFAOYSA-N 437.503 4.509 30 10 IJEE COc1ccc2oc(C)c(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c2c1 1859657059 PHCVHEYUCWKTBH-UHFFFAOYSA-N 437.459 4.916 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC 1860725081 SXBRKRMKWIASFV-QPJJXVBHSA-N 443.805 4.606 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861214867 KAOJNGURRRBFAD-ISKFKSNPSA-N 445.623 4.505 30 10 IJEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 1861888383 ZZQLURIHCGUGCP-JOCHJYFZSA-N 448.954 4.689 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccccn2)cc1 1862455985 HJSJINZSWGIRSI-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)cc1 1862474312 MWHFIBLIRJJBPX-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862490699 BPGUXHOPDQNYGJ-XMMPIXPASA-N 445.563 4.705 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(F)cc1 1862501478 CYYLFBASILJIGO-JOCHJYFZSA-N 442.506 4.583 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1862503408 WXXSXHJRGGNUNS-HSZRJFAPSA-N 447.462 4.632 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862506100 JCBDSMDVCZHVSH-HXUWFJFHSA-N 426.444 4.811 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862512937 YTEGNUFXGJCZHU-QFIPXVFZSA-N 439.483 4.759 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)c1 1862612792 AOOUCXLHBJIZPF-HSZRJFAPSA-N 443.547 4.837 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(OC)cc1 1862638007 REEOADYZROTXRE-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862703607 JXQZPILZMRRQGB-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)cc1 1862748806 KEYNYAOHNCUKQB-NRFANRHFSA-N 438.480 4.762 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 1862750755 DARDRYSFSKORAA-OAQYLSRUSA-N 431.448 4.597 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1ccc(Cl)cc1 1864104780 CBORLCWWTZFRSC-IBGZPJMESA-N 445.007 4.807 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)[C@H](c1ccc(C(C)C)cc1)C(C)C 1868839244 KSGRZIXQVUMURQ-GOTSBHOMSA-N 430.658 4.988 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)cc1CSCC 1870208803 AWLOJZSENSOHOY-UHFFFAOYSA-N 427.353 4.612 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)cc1 1871391336 XVYZXRBISNUJAO-JCMHNJIXSA-N 443.455 4.931 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(OC)cc4)c3C)C2=O)cc1 1871457145 RGTIBFQGDXDLFK-UCQKPKSFSA-N 445.471 4.646 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC)nc(Nc2ccc(OCc3ccccc3)cc2)[nH]1 1871635191 BTRQHLOSIYFNOS-UHFFFAOYSA-N 430.556 4.616 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871883982 OHPPDULNDIJJDY-NRFANRHFSA-N 428.598 4.823 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1)S(=O)(=O)C1CC1 1872305926 RQSNPYMFGULMRB-NRFANRHFSA-N 432.973 4.699 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872556888 QOQJPSOCJRLIQL-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE Cc1nc2c3ccc(Br)cc3nn2c(C)c1CCC(=O)Nc1cccc(C#N)c1 1873867148 QPIHANOHNJNVSE-UHFFFAOYSA-N 448.324 4.705 30 10 IJEE N#Cc1ccccc1NC(=O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1 1873868559 IGLANNLWOCVDSE-UHFFFAOYSA-N 437.381 4.686 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc(OC)c1O 1874259332 UQHIAHJFNDLZOQ-BUVRLJJBSA-N 438.553 4.684 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(F)c1 1874365340 XKPTYHLJNDMZJK-ZMOGYAJESA-N 445.951 4.580 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccccc1Cl 1874377323 QKSIDDDMZXMULP-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 1874384244 GPWUBZGDNHANLK-MFKUBSTISA-N 444.516 4.730 30 10 IJEE OCCCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874385229 FOUSAEMJRNRDTB-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2[C@H]2CCCO2)cc1 1874448128 UPDIAHOLRWCHHZ-RXULLKCLSA-N 437.525 4.775 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 1874463298 BPRIUKCVFNWCKE-LIMNOBDPSA-N 430.814 4.970 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(N(C)C)cc1 1874503117 RADAQNZUZGJRAI-MFKUBSTISA-N 431.565 4.818 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1 1874619009 DZQZTFGYRJYKOY-ZRDIBKRKSA-N 431.488 4.926 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1 1875130071 IGQFWWNJSHSALF-JVNGFTGRSA-N 445.309 4.828 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2cccc(OCc4ccccc4)c2)C3)OC1(C)C 1879732978 NVXBEOLUQOPQAK-RLWLMLJZSA-N 433.357 4.964 30 10 IJEE CC(C)c1cc(C(=O)N2CCC(COc3ncccc3C#N)CC2)c2cc(F)ccc2n1 1891282617 RNOVZLNPCDKUSW-UHFFFAOYSA-N 432.499 4.695 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(F)c(Br)c2)NCC)C1 1892684985 UCRVFXKWGQZLCX-QGZVFWFLSA-N 427.358 4.722 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)O1 1909805015 ZINCFTBFAKLDFU-VJBWXMMDSA-N 432.605 4.590 30 10 IJEE C#CC[C@H](C[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2020095666 ZVZXDPCEAQMKLN-GMHONNGPSA-N 428.617 4.903 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NC 2028842658 HTOQXASOFUABHK-SJORKVTESA-N 429.786 4.540 30 10 IJEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc3nc(O)[nH]c3c2)cc1OC 2042450044 XAEHEBPMPDXMFW-UHFFFAOYSA-N 429.270 4.501 30 10 IJEE C[C@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1c1cc(Br)c(C#N)cc1F 2174809544 BCIHCSWNCQKJLU-UONOGXRCSA-N 440.357 4.980 30 10 IJEE C[C@@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)ccc2C#N)C1 2181142360 VKPMYQNPWMWRKP-XCLFUZPHSA-N 436.350 4.733 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1ccnc2cc(Br)cnc12 2202047063 HREVXKBXVBRPDY-FQEVSTJZSA-N 436.350 4.878 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CCC12CCC2 2205738421 QFJGFFQECJBJRL-INIZCTEOSA-N 434.334 4.581 30 10 IJEE C=CCN(C[C@H](NCCC)c1ccc(Br)cc1OC)C(=O)OC(C)(C)C 2231163157 RPAWLBNPNONJFH-KRWDZBQOSA-N 427.383 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@@H](O)C#Cc1ccccc1Br 2235738990 DVRQJVRWCGKOBM-RBUKOAKNSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1[C@H](O)C#Cc1ccccc1Br 2235739859 KRBZNBSXCMVGAG-FRYIKTPZSA-N 434.374 4.730 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2235745709 DZINGPJKRXLULR-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239649100 DSJPJKNFRVMRCA-IEBWSBKVSA-N 439.394 4.805 30 10 IJEE COc1cc(C(=O)N(Cc2ccccc2)CC2CCCC2)ccc1B1OC(C)(C)C(C)(C)O1 2282564451 VBRLWBRKUJHMKC-UHFFFAOYSA-N 449.400 4.827 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2296219895 SLXPDIHDVFJZIM-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296292680 BBINBBBTVVKFGS-HXUWFJFHSA-N 435.406 4.945 30 10 IJEE CCOc1ccc(C=C2SC(=Nc3ccccc3Br)NC2=O)cc1OC 2296882083 IIBBTDVHPPSXQA-UHFFFAOYSA-N 433.327 4.748 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1[N+](=O)[O-] 2318573948 BHQBOPZZEYUORL-UHFFFAOYSA-N 429.477 4.597 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)cc1 2321386588 RDXVNGLFJMPALM-UHFFFAOYSA-N 430.961 4.870 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(C)(C)C)cc1OCc1ccc(Cl)cc1 2321908653 XLYVVSDQIORZML-UHFFFAOYSA-N 430.961 4.988 30 10 IJEE CCN(CC)CCN1COc2ccc3c(c2C1)OC(=Cc1ccc(N(CC)CC)cc1)C3=O 2322170736 DQMJGNLNQTZKTF-UHFFFAOYSA-N 449.595 4.643 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc3c2CN(CCC(C)C)CO3)C1=O 2322234965 SXLKSTCKBJJCGR-UHFFFAOYSA-N 439.508 4.527 30 10 IJEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(OC)cc3)cccc2OC)o1 2322457400 WZFDYLBRNAYLPD-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)COc4ccccc4OC)cc(C)c3C2=O)c1 2323118375 KMQWYRAXPDGLNO-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCC(=O)OC 2324265945 IKDLPYGZUWPPSJ-UHFFFAOYSA-N 426.509 4.974 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)cc1 2325357927 VLDRWRWOIBNKSB-UHFFFAOYSA-N 425.440 4.849 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2325435549 ROPOEUYZKJTZAU-QGZVFWFLSA-N 442.471 4.615 30 10 IJEE Cc1cc(NC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)ccc1Br 2325610502 ZVUXQHUCHWBKIN-UHFFFAOYSA-N 441.094 4.880 30 10 IJEE COc1ccc(NC(=O)C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC 2325652596 PACMLOOREGRTEQ-UHFFFAOYSA-N 447.487 4.512 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1ccc(N(C)C)cc1 2326473504 DNOBVRGJYZJTIX-UHFFFAOYSA-N 449.580 4.648 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1C(=O)O 2326541052 FSDZASKPXODEGB-UHFFFAOYSA-N 442.928 4.677 30 10 IJEE CCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Br)cc1 2329176829 CWGBVXKEBMZPBB-UHFFFAOYSA-N 431.359 4.656 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccs1)c1ccccc1 2330874591 BORSSEUQXLBNGL-MRXNPFEDSA-N 441.626 4.780 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc(Cl)c1O 2330953235 FKUBTJILILRSEX-QGZVFWFLSA-N 444.944 4.672 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 2330996124 NDCVXARUHULTOY-IBGZPJMESA-N 428.945 4.972 30 10 IJEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)ccc1F 2331338067 XLIWLWZJIVIJOU-FQEVSTJZSA-N 433.273 4.877 30 10 IJEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(F)cc1F 2331630019 USLPIGVTQYYUKI-UHFFFAOYSA-N 426.851 4.670 30 10 IJEE CCOc1c(Br)cc(C=Nn2c(SCC)nnc2C(C)C)cc1OC 2331691705 AYWSOSLUHGCFHG-UHFFFAOYSA-N 427.368 4.566 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 2331876918 IGJIGNBVMDBYMM-UHFFFAOYSA-N 427.796 4.965 30 10 IJEE COC(C)(C)C#C[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338366672 DKMUBZNLWSMBRO-IGKIAQTJSA-N 445.559 4.634 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339594727 YPUWVVZMFSBVCJ-ZOBSEURRSA-N 444.381 4.895 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4646213 KXTQKCFLPKIIAH-OAQYLSRUSA-N 448.910 4.809 30 10 IJEE CCc1cccc[n+]1/C(C(=O)c1ccc2c(c1)OCCO2)=C(/S)Nc1ccccc1C 11166543 BVTVBPGQDZFCRV-UHFFFAOYSA-O 433.553 4.667 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1c(O)ccc3ccccc13)N2 20751868 XQCDRKNRIQHGBG-FHAGJXEFSA-N 432.545 4.836 30 10 IJEE Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn21 20849762 OYLVXRFIIQEVRB-OAQYLSRUSA-N 447.520 4.809 30 10 IJEE COc1ccc(C(=O)/N=C(\NCc2c(C)nn(C)c2C)Nc2ccc(C(C)C)cc2)cc1 32972736 CLZIFOLLLMDTDD-UHFFFAOYSA-N 433.556 4.567 30 10 IJEE CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccccc1-2 32997135 RWFGAZFWVZDNBC-QFIPXVFZSA-N 431.521 4.747 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccccc2OC)SC1=S 33430187 DOFPKYRAJMKNTH-PGMHBOJBSA-N 441.574 4.930 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 34954354 TVYGNTGCIUTPSR-DXNYSGJVSA-N 433.416 4.727 30 10 IJEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCCc2ccccc2)C(=O)N1c1ccccc1 105676208 CPPQETSJWPBJKL-JOCHJYFZSA-N 429.545 4.572 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c1 169953383 IQSVJUVTVNJOIS-HSZRJFAPSA-N 428.488 4.544 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCOC(C)C)c1 170035088 KGJAVZFHHOQRBE-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccc2)c1 170055035 GSYBSOGCPFMHSC-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)c1 170076745 QLTJIVNGVUQPGQ-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccc(O)c2)cc1 170080123 IRVKXWPDTQNHAM-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE Cn1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085732 XGRCJHJYMTVPRN-JOCHJYFZSA-N 445.475 4.607 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088301 HEEQGHBESSMCPG-QFIPXVFZSA-N 449.409 4.785 30 10 IJEE COc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 170129184 DBTXPAWAXNJVQA-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 170144048 ULVKRLMEXOFNIY-QMHKHESXSA-N 429.472 4.690 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)c1 170200841 OZOXTKAJAFERRN-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1 170241074 ONOKZVFRYPPTHR-OAQYLSRUSA-N 435.451 4.823 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccco1 170280563 MKTYRKJLKBSUFE-NRFANRHFSA-N 441.524 4.589 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)c1 170297602 ALBJINNRMZVTQL-JOCHJYFZSA-N 428.444 4.861 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)c1 170304353 JTKCMDPPLCLFGF-QFIPXVFZSA-N 428.444 4.866 30 10 IJEE C=CCN(C(=O)c1cc(CC)c(CC)o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 428798247 ATEQWHSMJJTINK-UHFFFAOYSA-N 444.578 4.764 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)CC1 443324588 YNPJXTJBSWHFKJ-UHFFFAOYSA-N 427.957 4.876 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460785998 HZFABZYWHLSHGK-RUZDIDTESA-N 436.625 4.622 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460944164 CVJCHQGQKCXOBR-HHHXNRCGSA-N 446.595 4.526 30 10 IJEE Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)nn1-c1ccc(Cl)cc1Cl 504577545 LGRQVRBLXWQRLW-HXUWFJFHSA-N 437.327 4.688 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 508359617 HKJZYXAGLQZKKT-GLXDCOBASA-N 433.955 4.613 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Oc2ccc(C)cc2)CC1 508937948 FBYVEUAUSJRNLX-UHFFFAOYSA-N 434.540 4.505 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)n1 511705625 GAVMWESIFPCTTG-UHFFFAOYSA-N 425.395 4.537 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(COC)o1)c1ccc2c(c1)OCCO2 517685989 FKGJMYJKYUYREY-UHFFFAOYSA-N 435.476 4.609 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(OC)c2OC)c1 526606506 LHLXFLJXPAQAKK-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(=O)OC(C)C)o2)cc1 526831122 GXZMUCNELSPUAC-QRVIBDJDSA-N 442.541 4.708 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 530553115 GRWOQKDISBDKEB-UHFFFAOYSA-N 435.568 4.659 30 10 IJEE N#Cc1cccc(C(=O)N2CCC3(CC2)C(=O)N(c2cccc(F)c2)[C@@H]3c2ccccc2)c1 581801127 XGYFHMJDNWQQQX-XMMPIXPASA-N 439.490 4.708 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 677811583 BTHSINWAQFRWPA-CQSZACIVSA-N 438.452 4.599 30 10 IJEE O=C(c1ccn(C(F)F)n1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 681106881 KFKQQPLIIGOVGB-ZDUSSCGKSA-N 443.294 4.530 30 10 IJEE CCCN[C@@H](CC#CCOC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 698964867 ZDKGALHJCLRWJB-KRWDZBQOSA-N 425.367 4.877 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 731076612 BKOSPADPYDPBKT-FHLIZLRMSA-N 428.941 4.877 30 10 IJEE C=CCn1c(SCCNC(=O)OC(C)(C)C)nc2scc(-c3cccs3)c2c1=O 733870421 LRWUOZPDSPZALC-UHFFFAOYSA-N 449.623 4.989 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cccc(-c3cscn3)c2)nc1C 742651887 YUDLJNHECWLKLA-UHFFFAOYSA-N 440.579 4.561 30 10 IJEE COc1ccc(Cn2nc(C)c(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)c2C)cc1 767356775 BUSLCCYPCYQTPL-NTMALXAHSA-N 431.414 4.572 30 10 IJEE FC(F)(F)CNC(=S)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 768787973 IBIXJZWKFIEVOK-LLVKDONJSA-N 440.331 4.534 30 10 IJEE CC(=NNc1ccccc1OC(F)(F)F)c1cc2c(cc1Br)NC(=O)CO2 777452325 FVNFUNPZLXSIMA-UHFFFAOYSA-N 444.207 4.515 30 10 IJEE O=C(N1CCO[C@@H](C(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 801010577 ATGGTPPWSNUACX-CASICGOVSA-N 449.382 4.601 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)N1CCO[C@@H](C(F)F)C1 801633438 UBJBNTPIWZXVLW-SNVBAGLBSA-N 438.340 4.858 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 802583561 XHSWFDQUOXQYOV-HSZRJFAPSA-N 445.567 4.583 30 10 IJEE C[C@H](OC(=O)c1cc(Cl)c(F)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 815502944 BWQPAKWKCMHCIP-QMMMGPOBSA-N 427.284 4.738 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1125668077 AJZGLMIQJCBKOI-YADARESESA-N 430.545 4.784 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)c1 1125713511 OFPSUHKGNOUWRA-OAQYLSRUSA-N 428.557 4.878 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1 1125735364 DDXBYKCUBNXBRN-FQEVSTJZSA-N 431.305 4.604 30 10 IJEE Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2c1 1125870394 GFPDYLXYIZROAV-UHFFFAOYSA-N 426.564 4.805 30 10 IJEE Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2n1 1126053198 HZJRSRFYALFOJZ-UHFFFAOYSA-N 437.381 4.973 30 10 IJEE C#Cc1ccc([C@H](OC(=O)COCCc2ccc(Br)cc2)C(F)(F)F)cc1 1128968429 MCRSTGXDJVNGIE-IBGZPJMESA-N 441.243 4.836 30 10 IJEE C#Cc1ccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 1134435344 OCRKDFWCXDFECR-QFIPXVFZSA-N 443.887 4.608 30 10 IJEE CC(C)(C)c1ccc(CSCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 1135981889 BTFUDKHZEHPYDF-QHCPKHFHSA-N 439.600 4.765 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 1139414449 VUQLPAWVANNWBI-IBGZPJMESA-N 444.963 4.861 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCCC1(C)C 1139511469 OUFQUWPFLWFTNQ-YADHBBJMSA-N 443.632 4.605 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(Cc3ccc(Br)cc3C#N)C2)C1 1141810256 PVRHUAAIVPIHOY-NRFANRHFSA-N 434.378 4.544 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c1 1146869342 RJFRWFNPCQLWPN-UHFFFAOYSA-N 448.475 4.683 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)NCc2nc(-c3ccccc3)no2)cc1 1153931232 HLIPUFHMLCNXNA-UHFFFAOYSA-N 426.501 4.831 30 10 IJEE C=C(C)CCNC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 1161353283 YZQYKMXXMMRUBD-UHFFFAOYSA-N 427.595 4.898 30 10 IJEE Cc1cc(CN(Cc2ccc(C#N)cc2OC(F)F)CC(C)C)nc(N2CCCCC2)n1 1168233170 DIYBSEVDAFSIHX-UHFFFAOYSA-N 443.542 4.907 30 10 IJEE C=C(C)[C@H](N[C@@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC)c1ccc(F)c(F)c1 1169473374 OTWWAMKNUGTUOX-DJJJIMSYSA-N 436.524 4.999 30 10 IJEE C=CCn1ncc2ccc(NCc3ccc(OCC(=O)N4CCCCC4)c(OCC)c3)cc21 1179696756 YDMAZDCZRGWVNT-UHFFFAOYSA-N 448.567 4.624 30 10 IJEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)c1ccccc1Oc1cccc(Cl)c1 1194232582 AADOMEYEZJDLFR-IRXDYDNUSA-N 435.977 4.851 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1 1215117294 HGDTWVWSIMIWMZ-UHFFFAOYSA-N 429.826 4.909 30 10 IJEE C=CCC[C@H](NC(=O)NCC(=O)Nc1cc(Br)ccc1C)c1ccccc1 1221685171 WREFIBDULOXHKC-SFHVURJKSA-N 430.346 4.703 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)CCCC1 1230925356 BMIRQAGXHXCWJL-OAQYLSRUSA-N 429.580 4.780 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1252972236 YUAOVIAJRLSTMC-JXXFODFXSA-N 433.515 4.753 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1)OCC 1270183596 LBPIZEWPUPMWMN-UXHICEINSA-N 436.980 4.832 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1[C@@H]1C[C@H]1C(C)C 1286459790 QMRUYHCTXCVNJR-LADGPHEKSA-N 431.584 4.656 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)CC(C)(C)C1 1286504625 OSIPLBXXHGTSLX-SFHVURJKSA-N 435.597 4.839 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC[C@@H](COC)C1 1286601753 UKSALDWDBDDBHN-HXUWFJFHSA-N 426.605 4.984 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOCc1ccccc1 1286635648 XZLXKUIULGXOFC-WOJBJXKFSA-N 432.996 4.602 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCn2cc(C)cn2)CC1 1286665967 QDAOOJZMNUTREF-UHFFFAOYSA-N 443.020 4.831 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC[C@H](C)N1CCCCC1 1286746084 OGSBZKVSKKIHBF-LADGPHEKSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCCOC(F)(F)F 1286749330 PRVBDOYUKCLASH-UHFFFAOYSA-N 437.491 4.829 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1Cc1nccc(C(F)F)n1 1286763868 WUFQIJXTWJLHMH-UHFFFAOYSA-N 436.466 4.549 30 10 IJEE C=CCn1c(SCC(=O)NOC[C@@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 1298607158 RHIBMLSCFRSNTN-LBPRGKRZSA-N 429.373 4.624 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1300007883 LTYYJGCVRXNBSI-DYLHXGEVSA-N 444.575 4.812 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2ccccc2C)nnc1[C@@]1(OC(C)C)CCOC1 1300376016 DUSRQNAXFPPVNK-JYFHCDHNSA-N 436.600 4.772 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1300404220 TVNYDTBMBYMLII-HSZRJFAPSA-N 449.986 4.665 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1scnc1C 1300606079 DMTWHFFCJQCUEZ-UHFFFAOYSA-N 425.627 4.743 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC1(C)C 1300626841 XPFPZFOQJZAOCE-VQTJNVASSA-N 443.636 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2ccccc2OC)C1 1300886397 XNSKJECFWBRQDE-SKPFHBQLSA-N 438.616 4.850 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1301089428 TVRSFJTXDNOEPL-UHFFFAOYSA-N 442.917 4.621 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1301119485 KQFWODNYURUPDK-JOCHJYFZSA-N 437.632 4.724 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CN(C)C(C)C)CC1 1301207301 SVGBSVIJMIQGEK-UHFFFAOYSA-N 449.441 4.559 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1301236914 KONNKMFURFNGQL-FNAHDJPLSA-N 430.637 4.806 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CC1(SC)CCN(C)CC1 1301362594 GSFBFEZAZIMWBT-UHFFFAOYSA-N 447.718 4.948 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCSC1 1301364819 AEQHDZOOQSRASF-GOSISDBHSA-N 440.638 4.885 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCN(C)C(=O)OC(C)(C)C 1301379395 IMPOLLHNXDHHCM-UHFFFAOYSA-N 448.571 4.539 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1301566014 IXJQWBUAFKBSQL-RTBURBONSA-N 436.572 4.927 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccc(C)o1 1301606584 SZIRQGALWJQHPZ-UHFFFAOYSA-N 434.569 4.588 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1301612951 SDOWHYACAUWKDY-KRWDZBQOSA-N 440.535 4.747 30 10 IJEE CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)o1 1309808903 DVRUSYAAXAGGFN-UHFFFAOYSA-N 434.876 4.947 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)C1 1310162835 VYWPQMLGJJSNAE-CQSZACIVSA-N 429.879 4.617 30 10 IJEE C=CC[C@@H](NC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccncc1 1312022406 UIHVWJCBGKZDGS-BJKOFHAPSA-N 429.520 4.525 30 10 IJEE C=C(C)CCC(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1350597560 BGMKDEDCTUKSGW-JTSKRJEESA-N 435.973 4.990 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)cc1 1357631461 OGLUZRZSKZFUJM-UHFFFAOYSA-N 441.572 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cccnc1OCC 1358897300 WTMROZZXQYCVPB-FQEVSTJZSA-N 447.583 4.589 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(CCC#N)CC1CC1 1358906562 LUIZVMSDLTXVRG-UHFFFAOYSA-N 444.352 4.780 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(CCC)CCC1 1359018825 DHMYBRQZTGWFCR-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)C1CCCC1 1359094905 HNBWUMJGIDVIIN-AUSIDOKSSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn2ccsc2n1 1359107431 MEAPHWFILWOLPZ-INIZCTEOSA-N 440.548 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCC[C@H]1C 1359109247 UIIBTKHHUNJBGM-GOSISDBHSA-N 446.437 4.903 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC(OCc2ccccc2F)CC1 1359148892 HJXGINNITPRFJP-UHFFFAOYSA-N 441.938 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1359186890 WEXFTTUDBYKTAY-XMSQKQJNSA-N 437.563 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C)C1 1359191510 CGEQKVAHJQMPTD-IBGZPJMESA-N 426.605 4.982 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC=CCO1 1359196875 WKVYESYCGLCZEU-GOSISDBHSA-N 448.409 4.574 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1359221827 ORYUGGVGOOOXFA-GOSISDBHSA-N 429.634 4.714 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359222368 GVVRBGKIEVFSTK-FFZOFVMBSA-N 430.980 4.756 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CC 1359264709 NCYMYSKNXPDSIN-DNVFCKCGSA-N 432.634 4.612 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359284120 ROEXYYOQDIRHBW-UHFFFAOYSA-N 444.004 4.694 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 1359307763 UUESVFIXXIPQEF-HDICACEKSA-N 441.526 4.624 30 10 IJEE C=CCSCCn1c(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C 1359346723 SRDKWJGGFULQBJ-MRXNPFEDSA-N 449.690 4.827 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H]2CCCCO2)c1 1361155776 GHQPADFRCNLNLS-BWKNWUBXSA-N 437.588 4.563 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC 1434918069 FUCLRJBQBFBJJW-UHFFFAOYSA-N 436.515 4.793 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 1435690700 CULUTLDEAJAJNY-JLTOFOAXSA-N 434.330 4.529 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 1448392868 QNGVKGUEGFJTQY-MPGHIAIKSA-N 425.356 4.662 30 10 IJEE C#CCONC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)C[C@H](C)C2 1453279779 JOVDKFLDGPVBNN-PJCCXHTNSA-N 442.515 4.670 30 10 IJEE CC[C@H](Cc1ccccc1)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1459638790 GNAHAACVKFLCGE-XMMPIXPASA-N 428.580 4.917 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccccc1 1463357834 ORUPRAIHBADSHR-ZDUSSCGKSA-N 433.154 4.799 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3ccccc3C)c2C(F)F)CN(C(=O)OC(C)(C)C)C1 1469689534 DAFNVQCPKQXZRD-UHFFFAOYSA-N 446.498 4.870 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 1470892392 XYCLLGIXOBVDID-UHFFFAOYSA-N 443.547 4.506 30 10 IJEE C=CCn1c(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nnc1-c1ccc(C)cc1 1472735683 IWLGNACYUIQVOF-UHFFFAOYSA-N 428.477 4.919 30 10 IJEE CCOC(=O)CC[C@H]1CCCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 1473298388 HBAWFMQBVIIPGR-HXUWFJFHSA-N 436.552 4.701 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 1478806643 LNMFKIVKLSVZIX-APWZRJJASA-N 426.866 4.879 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(Cl)s1 1507603170 SKYSNTOLMGMQLO-HNNXBMFYSA-N 430.961 4.649 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)CN1CCCCC1 1507679215 ISJWHBFIICTKQM-NZQKXSOJSA-N 437.632 4.616 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(Cl)c1C 1507681636 ZIVZIZIFKZTFGJ-UHFFFAOYSA-N 446.780 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC1(OC)CCC(C)CC1 1507770970 VAIOWUJHXIJOPQ-NTPKGFMYSA-N 442.554 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 1507811293 PNYCHXQLXAFORF-LJUYRKFLSA-N 430.637 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1507818068 KOOCJPCRRFYZPX-WOJBJXKFSA-N 447.624 4.569 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1507925336 FQBAHBMRBWBXQW-FGSXEWAUSA-N 428.552 4.917 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(OC(C)C)CC2)cc1 1508101292 WUUFCUCMQJALLW-HSZRJFAPSA-N 440.588 4.527 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2Br)C1 1508132593 WHKPLZGXNPUTKP-IBGZPJMESA-N 445.405 4.603 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1508166477 AAZSLWPRYOYTQI-IOMROCGXSA-N 430.593 4.930 30 10 IJEE C=CCN(C(=O)/C(=C/c1ccccc1)C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1522961737 YPGCZXZEGJLTAD-LDETYFQJSA-N 431.454 4.821 30 10 IJEE C=C(C)[C@H](NC(=O)COc1ccc(Br)cc1C(C)=O)c1ccc(F)c(F)c1 1523231976 LFHBJZHNGPJCBU-FQEVSTJZSA-N 438.268 4.742 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1OC 1523394980 DYHHJIJPBMRWPB-CKDFRHGISA-N 446.469 4.687 30 10 IJEE CC(C)N1C(=O)C[C@@H](C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 1524075280 DYRNDFQXBXXCBI-IERDGZPVSA-N 448.325 4.619 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1nc(-c2ccc(I)cc2)cs1 1524961492 RICVLPNDGWEWRF-QGZVFWFLSA-N 442.322 4.582 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 1526100195 UJDXGOFTMLGKJN-FQEVSTJZSA-N 434.561 4.555 30 10 IJEE C#CCC(C)(C)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C(=O)OCC)s1 1526200724 FJFFLBGEAIGOGB-UHFFFAOYSA-N 435.343 4.737 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1526889578 USCSUTJRYCNOQG-KRWDZBQOSA-N 447.000 4.956 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1Cl 1532445547 HFTRTCVTXJATGT-UHFFFAOYSA-N 434.879 4.748 30 10 IJEE C=CCC1(C(=O)Nc2ncc(Br)cc2I)CCCCC1 1533780354 CMORGNSYGWHVAK-UHFFFAOYSA-N 449.130 4.914 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc3c(cn2)CCCC3)nnc1-c1ccc(Cl)cc1 1534235172 CEMLXLAIXCXPQP-UHFFFAOYSA-N 439.972 4.789 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(F)(F)F 1536919387 HGGSSQPNPYUWEF-VWPQPMDRSA-N 438.453 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cn(CCCCC)nc1C 1539024483 UVZHNIWHDJVRCQ-IBGZPJMESA-N 443.599 4.552 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1539103545 WVYDSEHVZNHFTO-UYAOXDASSA-N 442.007 4.533 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN1C1CCCCC1 1539148609 QVHQHZMBCXVTSL-UPVQGACJSA-N 449.643 4.901 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCCCCC1 1539295658 DSNCNSBZRDFOHS-HSZRJFAPSA-N 448.611 4.583 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC[C@H]1CC 1539300572 CYWRLLRPMAZEGA-UYAOXDASSA-N 426.511 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N(C)C1CC1 1539652005 MVLMMQICYQCXAM-INIZCTEOSA-N 432.410 4.593 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[S@](=O)C(C)(C)C)CC1 1539874943 RXRDPXXZOXUBGU-INZIPBBXSA-N 448.608 4.507 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)CN(C)C)CC1 1539877708 CLPMTIVTURSFBT-UHFFFAOYSA-N 446.437 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539924712 XPASAIFAMKMDMR-LJQANCHMSA-N 427.662 4.843 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1539953786 VGDZMAHRBPFSKP-SYVJQLTCSA-N 438.616 4.951 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CC[C@H]1C2 1539962775 CHFNCIHIQNQFRB-ZCNNSNEGSA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1540047305 GLGLQFMHYUFCDE-SFHVURJKSA-N 432.012 4.958 30 10 IJEE Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1540410719 HFBABAOGYBXYJU-UHFFFAOYSA-N 447.539 4.535 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1540911622 XBBQATTZJPFTSJ-JKSUJKDBSA-N 438.016 4.576 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@H](C)C2)cn1 1541736678 GCGHFSNZLUSOIV-RBUKOAKNSA-N 430.556 4.530 30 10 IJEE CC(F)(F)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(CC#N)CC2)cc1 1541893836 CMDBTDOGXWMKEK-UHFFFAOYSA-N 436.510 4.554 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C 1543707474 JDFIGQGEUNCIME-PTUXOGIPSA-N 432.564 4.652 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1544784766 GJYSBRFYJVYTGL-QAPCUYQASA-N 434.348 4.981 30 10 IJEE CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)c2C1 1556708671 BDYUMLCAWHETKE-UHFFFAOYSA-N 428.536 4.914 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 1565277074 FKUAXESOUPCXSJ-FUPPJEDESA-N 427.495 4.633 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(CCC)CCOc2c(Cl)cc(Cl)cc2Cl)C1 1565346120 HQPPMNCUPCSLFK-INIZCTEOSA-N 446.806 4.545 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1584537986 DUEVOUKKQQJEMK-GPJHCHHRSA-N 437.584 4.690 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)C(C)C 1585128734 KEDWKDDFEVUOBM-BHIFYINESA-N 435.653 4.665 30 10 IJEE Cc1nc(SCC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)c(C#N)c(C)c1C 1586152033 GUSSLIIHIFLOMK-UHFFFAOYSA-N 442.548 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C)[C@H](C)CC 1589151225 VCIHAYLTNVNMKH-YDIMBITNSA-N 444.023 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC)cc1 1589556906 FNWSNTYZPRBZSQ-OFNKIYASSA-N 438.597 4.557 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1589715965 YNMYLYXZSWPJGT-HUUCEWRRSA-N 432.977 4.629 30 10 IJEE C=C(Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)CCCCC)CC1)c1ccccc1 1593782713 SVHCAUOTCIMMLB-UHFFFAOYSA-N 446.599 4.652 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1594236705 GSAVQBXHAAVLQS-UHFFFAOYSA-N 435.494 4.527 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCc1ccc(NC(C)=O)cc1 1595157003 UBRNJGQYKHDMJP-UHFFFAOYSA-N 446.580 4.728 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(F)(F)F)C1 1595699790 HGVYCCPAWXALMG-CQSZACIVSA-N 432.849 4.861 30 10 IJEE CC(C)(C)N1C[C@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CC1=O 1597759852 CNCDLXLZTQEVSB-OAHLLOKOSA-N 427.957 4.948 30 10 IJEE Cc1ccc(/N=C2\S[CH][C@@H](c3ccc(S(=O)(=O)N(C)C)cc3)N2C(C)(C)C)cc1 1614593997 BQWLZEYJAUOXMN-ZQKSFYQXSA-N 430.619 4.983 30 10 IJEE C=CCC[C@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1 1616676883 GKALZIFTCHZBBR-CTNGQTDRSA-N 448.485 4.627 30 10 IJEE C=C(Cl)C[C@H](NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc12)C(=O)OCC 1624252383 YNHFCPWXOIAAAV-LRDDRELGSA-N 427.353 4.559 30 10 IJEE C=CC1(CC(=O)NCCCc2cccc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1626790296 IMWGFJUQIXGJRM-UHFFFAOYSA-N 426.479 4.567 30 10 IJEE C=CCn1c(SCC(=O)NC2CC3(CCC3)C2)nnc1-c1ccc(Cl)cc1Cl 1628309041 OUPCHRXSXKQBBH-UHFFFAOYSA-N 437.396 4.979 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)NCc3ccc(Br)cc3Cl)CC2)cc1 1630468851 BCLLYATWRGYBOW-UHFFFAOYSA-N 430.733 4.973 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1630635975 DSWSIRGXDJIYRD-XMMPIXPASA-N 438.886 4.986 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1c(S)nc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 1632367814 ZTRYBAXZAGGMQQ-QGZVFWFLSA-N 447.482 4.528 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 1634739432 OKOAEACZUSRVED-KRWDZBQOSA-N 438.952 4.545 30 10 IJEE C=CCn1c(SCCOC2CCOCC2)nc2scc(-c3ccccc3)c2c1=O 1643477117 XSYGQIBJESLWSR-UHFFFAOYSA-N 428.579 4.599 30 10 IJEE C#CCN(CC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC)Cc1ccccc1 1645542887 FPBCIOGEQVSQQA-UHFFFAOYSA-N 446.572 4.974 30 10 IJEE N#Cc1cc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCCC2)ccc1C(F)(F)F 1653894092 GBJGTVOUFIUITG-UHFFFAOYSA-N 428.863 4.978 30 10 IJEE COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C 1659837422 HYFLILAOZJMNON-FQEVSTJZSA-N 434.561 4.697 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 1663850493 FFFXDVKPPWOITI-UHFFFAOYSA-N 438.506 4.730 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)Cc1ccc(Br)cc1C 1666357617 SRMNMBRACAFVPP-NRFANRHFSA-N 432.383 4.600 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 1668990658 QECHYJFFTRSDTA-UHFFFAOYSA-N 440.519 4.755 30 10 IJEE Cc1csc(NC(=O)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)c1C#N 1669739814 FORBZGBIVCUKJO-PBHICJAKSA-N 434.359 4.668 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)c1ccc(Cl)cc1F 1671420890 YNSWDERQMKZQQF-QGZVFWFLSA-N 434.696 4.897 30 10 IJEE CO[C@@H]1COCC[C@H]1CNC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1672876567 HDCGFBBMARVBEZ-IFXJQAMLSA-N 431.945 4.536 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccc(Cl)cc1F 1674035951 HWANZLDRKCXPNS-OAQYLSRUSA-N 444.894 4.775 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(F)c(F)c1 1676285635 LJIBLFXRHKKELE-NRFANRHFSA-N 425.435 4.927 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1678228194 AEGGVYMIDOZFGU-YSZBQJHXSA-N 426.582 4.614 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1)c1ccccc1 1679251789 FUOJZRMDHSFQAS-JOCHJYFZSA-N 427.976 4.883 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(C)nc1Cl 1684988811 LFLGVNYPNGGEGC-UHFFFAOYSA-N 426.717 4.843 30 10 IJEE C#CCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CCCc2ccccc21 1685132705 QBDIHISLMNUAEN-SFTDATJTSA-N 439.353 4.995 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1685720507 YBMTWMKKLJIYNN-BWAGFHJFSA-N 443.588 4.571 30 10 IJEE C=CCC1(CNC(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)CCCC1 1686451423 GVOBIKZVTDDDRB-MRXNPFEDSA-N 449.311 4.937 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 1686762523 UXLBGYQEQVBMKJ-MOPGFXCFSA-N 429.362 4.663 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1689882427 ADDFEWQVQRFTBO-IFMALSPDSA-N 431.584 4.938 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1690090119 WSXUOROEMHSNBC-OYRHEFFESA-N 437.607 4.693 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1Cl 1690251866 ZYKDSHNIBOMCHH-NZQKXSOJSA-N 437.975 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCC1 1690257344 FYALWGYIMXWALB-UHFFFAOYSA-N 436.629 4.875 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCC)C1 1690304704 LPLOKGVPYSBPPB-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690420814 SIUYCRIMBZZFIB-ZLNRFVROSA-N 438.616 4.807 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1690455333 HANLTNWFHSLLSH-HXUWFJFHSA-N 433.556 4.692 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](C(=O)OC)C1 1690472416 NCWWJCJFLBIXLW-NRFANRHFSA-N 447.583 4.708 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690496655 URIZSPYJHZRRMP-RBUKOAKNSA-N 447.624 4.568 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1690500510 XRVFVWLNRAGGNH-WMZHIEFXSA-N 440.588 4.714 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CCc1cccc(F)c1F 1690607531 OUNOKGFSXWCTAN-UHFFFAOYSA-N 435.478 4.689 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690740447 VXFXBOSSXSUSHO-INIZCTEOSA-N 428.631 4.595 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)C[C@@H](C)C1)c1ccco1 1695622503 DDWUFTHGRBNHMB-TXTKFYIRSA-N 446.599 4.975 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C(C)(C)C)cs1 1705484409 OJNMIBWOOCTXAL-CYBMUJFWSA-N 431.968 4.998 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOc1ccc(F)cc1 1705505160 HDMPADJGFBQAII-VLCRHTCISA-N 442.579 4.653 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1705528665 NUUKICWVZVRXBU-DEOSSOPVSA-N 449.643 4.848 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@H](c1ccccc1Cl)N(C)C 1705675848 CWMAMDYHGJGUPC-RCZVLFRGSA-N 440.035 4.959 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC1 1705696265 MIWUKIIIUKENEH-IEBWSBKVSA-N 431.378 4.597 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC(C)C)C(C)C 1705708388 BTUSGAKPJSAYDJ-AUSIDOKSSA-N 430.568 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1705711782 DMZLMFPJUMYMFO-MRXNPFEDSA-N 448.999 4.557 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](SCC)C1 1705720409 VVLKIUHIQYTVSA-IBGZPJMESA-N 448.036 4.550 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705779988 AVALWPPFGYISBT-BVZFJXPGSA-N 435.572 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1705793346 URGBFPUCRNZILD-AUSIDOKSSA-N 449.574 4.972 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N(C)C1CCC2(CC1)OCCO2)c1ccccc1 1705796664 IJFLFVPPWLAAGI-QFIPXVFZSA-N 438.616 4.958 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCCCO1)c1ccccc1 1705798218 NAIYXDKCSJHLQB-BJKOFHAPSA-N 431.584 4.629 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1cccnc1OCCC 1705835911 YFAIJZIGFHLTFQ-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@@H](C)C2)cs1 1711498166 DHKSMWXMZCTZAO-IXDOHACOSA-N 436.585 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1722283180 DNJFKLCHKSXTAL-AQOAWAETSA-N 445.405 4.822 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)OCCc2sccc21 1722404319 YZKRKJLATVLXJQ-JOCHJYFZSA-N 426.973 4.608 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(CCOC)CCCCC1 1722413797 JNZSKGBWRNUINP-UHFFFAOYSA-N 429.008 4.969 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722523853 WXRIJZPIZJZIEO-KNQAVFIVSA-N 445.007 4.833 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1722529834 DWSXRLZMJZRVLE-SIKLNZKXSA-N 438.597 4.874 30 10 IJEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](CC(C)C)N(C)C)CC1 1722580526 UYVYMFYCWQZHQX-QFIPXVFZSA-N 434.632 4.729 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722605682 OWQXDTBHGUMZKC-UHFFFAOYSA-N 445.611 4.503 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1722659584 XOPUESGHCZUNJF-DHIUTWEWSA-N 445.567 4.902 30 10 IJEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 1728022845 FQIRWKMTHCTNJJ-XZOQPEGZSA-N 448.615 4.509 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](SC)C(C)(C)C)C1 1729100749 GZRZOULVKGSQSQ-CTNGQTDRSA-N 441.645 4.847 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1740574229 FZIXSVCTRGLLBH-UHFFFAOYSA-N 429.490 4.932 30 10 IJEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cscc1C(F)(F)F 1740606866 VJFSDLREUSUMBT-UHFFFAOYSA-N 429.471 4.635 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC[C@@H](OC)C(F)(F)F 1740676882 AWQOZRDWZJOJJG-CRAIPNDOSA-N 426.458 4.538 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(Cc1ccc(F)cc1)C(C)C 1740757561 PQAWPJMSHYNWGI-NFBKMPQASA-N 435.547 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740770962 NDXREQFBHQDGSV-UHFFFAOYSA-N 427.556 4.593 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1740780795 OUMRCXHHTGJYPW-HXUWFJFHSA-N 428.577 4.568 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2Cl)CC1 1740814670 ZCVOCYCSMLIQIO-UHFFFAOYSA-N 434.396 4.663 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C)[C@H](C)CC)CC1 1740819484 RTPULNBGCQHCTR-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCCCC2)CC1 1740824338 JSBSNEMPVFQTKF-GOSISDBHSA-N 430.980 4.923 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)=C(C)C1)C(C)C 1740926406 GKFZSYASBUUXNN-XZOQPEGZSA-N 427.637 4.765 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)CC#N)s1 1742225571 GRBXWBWAIPKZKJ-LLVKDONJSA-N 436.404 4.926 30 10 IJEE CCOC1CC(CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@](C)(C#N)C2)C1 1746907968 GVYKAUKNZPOQQD-XBEWDXHHSA-N 437.588 4.501 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@@H](F)C1 1748550752 ABGJCCKIOAHQOA-FUHWJXTLSA-N 431.943 4.875 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CCOC)C1 1749124804 PMIYEJXMQZMQIM-FVJLSDCUSA-N 448.970 4.582 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cc(Cl)ccn1 1749174910 GVUGHYOZOBOWPI-UHFFFAOYSA-N 432.753 4.969 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1749331368 YXVMOOCREDPLBO-SCAQPMJSSA-N 448.409 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749368567 MIOBITMTSUPYSG-RBUKOAKNSA-N 433.641 4.818 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@H](c1c(F)cccc1F)N(C)C)C1CC1 1749525031 FGEMKJPWYSBJNR-FQEVSTJZSA-N 443.567 4.666 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CC(=C)Br 1749532152 RDPAQKFGZBNHGP-UHFFFAOYSA-N 428.378 4.840 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC)c1 1749561450 NKLAYUGNCRSBDH-UHFFFAOYSA-N 442.361 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(F)cc(OC)c1 1760330423 CFFPTRLOVYEWBI-UHFFFAOYSA-N 448.340 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCN1CC 1760331958 QVSKAIZAFWQTSA-LJQANCHMSA-N 432.410 4.594 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1760372949 BOVNCVARMHAZAR-IBGZPJMESA-N 439.947 4.760 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2)CC1 1760398255 QZVIUXPFHOFCCX-UHFFFAOYSA-N 442.361 4.517 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(C)(OC)C1 1760422276 DFSCAODGUZJXKU-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OCC)C1 1760430503 LCFMMSIJIQSSPC-UXHICEINSA-N 447.624 4.712 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1760447396 MLWAFRVKANIHLN-KVSKMBFKSA-N 448.409 4.643 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1760480907 IMAKXSJKNQRQCT-UHFFFAOYSA-N 435.616 4.777 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C 1760488218 OWAGWEMHNCSJFG-SFTDATJTSA-N 441.620 4.549 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)c1ncc(C)s1 1760502187 QTLKGIPMQNYVIA-HNNXBMFYSA-N 431.993 4.806 30 10 IJEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCC(F)(F)CC1 1764540522 DKHFLMRJDDZYND-QFIPXVFZSA-N 447.505 4.687 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1 1766349774 DIURUIMWOAJABI-NRSPTQNISA-N 425.602 4.668 30 10 IJEE CS[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1771399516 DKSVHJOIFRZXKO-XLIONFOSSA-N 437.617 4.504 30 10 IJEE C[C@@H](Oc1cccnc1NC(=O)Nc1ccccc1C#N)C(=O)Nc1ccccc1Cl 1858846405 JZVWYHIDZLVZTI-CQSZACIVSA-N 435.871 4.657 30 10 IJEE Cc1ccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccc([N+](=O)[O-])c2)cc1 1859413417 ULFFZXUYCGZHAO-UHFFFAOYSA-N 437.459 4.939 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC 1860724754 QUJLXMNLGVSGGI-SNAWJCMRSA-N 444.698 4.894 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(C)cc1 1861081929 MMMHVQYXTFVGKJ-VWLOTQADSA-N 438.612 4.837 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861210090 HBBIODBDOHLMKF-LADGPHEKSA-N 429.649 4.660 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861567207 DHRROHFSEPDQSD-FYWRMAATSA-N 430.589 4.623 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc2nc[nH]c2c1 1861757037 LTGPWLXILCTPBL-FQEVSTJZSA-N 432.634 4.671 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862395170 NNSOFTYCOXNLAD-HSZRJFAPSA-N 432.520 4.735 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2c(c1)OCCO2 1862494719 OQZRWJQWSAIDID-QHCPKHFHSA-N 435.520 4.843 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862498502 JVZGKSRWOPZOSS-IBGZPJMESA-N 434.319 4.571 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1Cl 1862626373 BXYBVOXBYIKBIB-HXUWFJFHSA-N 427.884 4.693 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862645007 YEQGTWOFVXSNSF-QRQCRPRQSA-N 441.499 5.000 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Br 1862681296 XCRLBASXAZOIQT-SGTLLEGYSA-N 432.289 4.965 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1 1868669385 ARGYOVFPXFZDTR-YHBLIXGUSA-N 426.626 4.535 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)c1cccc(Cl)c1 1870159804 SJMNWRJHPUAHBT-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CNc2ccc(CC)cc2)cc1=O 1870813557 PXVBGIGTEFDGRV-VWLOTQADSA-N 447.579 4.596 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C)c2C1=O 1871424713 UJPXKEQSPGYYQC-SMNNTEATSA-N 443.499 4.876 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729706 NRYVYZUIKSDNJP-UHFFFAOYSA-N 436.563 4.711 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871812717 YGGDVQARIGQZTI-SFHVURJKSA-N 434.524 4.821 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872464692 YELWEWJCZZCTQZ-FQEVSTJZSA-N 428.598 4.768 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872560213 WDSKVCVCYFQOLK-OAQYLSRUSA-N 444.597 4.523 30 10 IJEE Cc1ccc2c(c1)nc(C1=C(N)N(c3ccccc3Sc3ccccc3)CC1=O)n2C 1872730932 MDYPICDKFGLUET-UHFFFAOYSA-N 426.545 4.750 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1OC 1872761802 WIKILEKQEVVIID-DBWMJRBXSA-N 435.461 4.625 30 10 IJEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872776102 IFLOCAUXKSBTLL-YWZLYKJASA-N 443.528 4.794 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)c1 1873405197 OMFNCQXRLZYVKP-UHFFFAOYSA-N 447.416 4.969 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(F)cc1)n2Cc1ccco1 1873663072 UHZARTMXBCKNPU-UHFFFAOYSA-N 431.471 4.642 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1O 1874230772 BLEXBRZHCHAASS-FSJBWODESA-N 446.960 4.917 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874293104 YGHNSVMTBAOMFJ-WYMPLXKRSA-N 436.459 4.879 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874303472 AOEAZLDTTWCQLX-PCLIKHOPSA-N 435.597 4.884 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccco1 1874392823 VVKAXFQZWRKQTG-MMDHUZEPSA-N 449.511 4.775 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874402117 JFWAWYBAJPMUGZ-PCLIKHOPSA-N 444.520 4.541 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc2ccccc12 1874420045 RRAIFARJWXSPLJ-YZSQISJMSA-N 444.560 4.950 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2-c2ccco2)c1 1874468714 VGAIULXTISNIJZ-BIKZULFDSA-N 445.548 4.698 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(OC)c1OC 1874476746 UVBZYTUSLYXAJS-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(OC)c1 1874477371 XGUZXWXWPUZYLW-HYARGMPZSA-N 425.514 4.712 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(F)c2)c1 1874493274 DGKRXBZGCDQQLD-DHRITJCHSA-N 437.544 4.915 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(C)nnc1SCc1cccc2ccccc12 1874533710 XYHVSKPWTHVTSF-AFUMVMLFSA-N 448.548 4.940 30 10 IJEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccccc1OC 1874563599 NESIPQAWFVGJGP-HZHRSRAPSA-N 426.542 4.606 30 10 IJEE CCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(OC)cc1C(C)(C)C 1874571074 VHVKJNWDAAOORL-ZVHZXABRSA-N 440.569 4.733 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)cc1OC 1874572030 SKRVLUSUAYUNGR-ACCUITESSA-N 442.471 4.828 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1nccs1 1874601918 KHMZRTCMLKERKM-GQCTYLIASA-N 443.868 4.618 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)[C@@H]1CCCO1 1875128672 OMEJXCXPPBKMSS-VYENPZKTSA-N 445.309 4.828 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cnccn1 1875164023 OPDCLTWYKVGZIJ-ZZXKWVIFSA-N 444.821 4.922 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1875187283 WTIHLAXAQYPURB-VOTSOKGWSA-N 432.900 4.812 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Br)c(C)c3)ccc21 1890561421 FQJUXYPGZBOVIW-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CCc3cccc(-c4ccccc4)c3)C2)c1 1891418705 UAFCVBGFUVFTDP-HSZRJFAPSA-N 425.532 4.870 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1907891452 SETYIXHPWQZHPO-LAPQFRIASA-N 447.498 4.714 30 10 IJEE CC1(C)OB(CC2CN(Cc3c(Br)cccc3Br)C2)OC1(C)C 1948820389 JHOHHWQZVCHBQD-UHFFFAOYSA-N 445.004 4.736 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCC2 1949860214 SCWFIQDTHZNDGV-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2016223683 HNINYGBEBCPZLX-KKSFZXQISA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)c2ccccc21 2044528078 KJGMIHAXJAUNED-SFHVURJKSA-N 430.398 4.987 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2070347054 PHVOFXYXQUNXMI-IXSXPGEMSA-N 435.608 4.874 30 10 IJEE CN(C)C(=O)c1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079217113 YBBFTOIJACPGDG-UHFFFAOYSA-N 448.136 4.513 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)COCCN2C(=O)OC(C)(C)C)c1 2081188775 WKJJZRGMBRYKHG-YADARESESA-N 445.560 4.655 30 10 IJEE C=CCN(CC[C@@H](Cc1ccc(OC)c(Br)c1)NCC)C(=O)OC(C)(C)C 2155516273 IGPUAZULULLOJM-KRWDZBQOSA-N 441.410 4.792 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 2159120290 FTCPBZXHQNJXTI-DLBZAZTESA-N 445.348 4.555 30 10 IJEE Cc1cc(Br)c(C(=O)N[C@H]2CCCC[C@H]2C#N)cc1NC(=O)OC(C)(C)C 2181046375 KRKQYIYLKXLAJC-BBRMVZONSA-N 436.350 4.917 30 10 IJEE Cc1cc(Br)c(C(=O)Nc2ncccc2C#N)cc1NC(=O)OC(C)(C)C 2186622485 ZNZUOSKYCGJEFB-UHFFFAOYSA-N 431.290 4.624 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2cc(Br)ccc2Cl)C3)OC1(C)C 2194121744 XATSVVOXSQWPKU-CWTRNNRKSA-N 440.574 4.801 30 10 IJEE COc1ccc(C#C[C@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2237748827 XTBHQRWSERPWFP-IBGZPJMESA-N 431.330 4.856 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@@H](O)C#Cc1ccc(Br)cc1)Cc1ccccc1 2242588411 CBCXLNAARSBMNM-NRFANRHFSA-N 444.369 4.989 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254743362 GMCZYJSUMKQLEE-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1 2258338595 SNAOEYQNPWLEDF-XHNJZIHCSA-N 443.544 4.586 30 10 IJEE O=C(C=CNc1ccc(I)cc1)c1ccc(Br)cc1 2293420624 STDKBDSNSFLING-UHFFFAOYSA-N 428.067 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296228671 BEXNOFCNIXCPCQ-PGRDOPGGSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CC1(C)C 2296273080 NPAPBOMHQZSFBD-GCJKJVERSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296288061 BUZWFRDXIIPGPS-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2296296993 URQXTJOTFQTRAM-WOIUINJBSA-N 433.390 4.568 30 10 IJEE CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)OC(=Cc1cccnc1)C3=O 2297595875 QXEUUWXYDRATTF-LJQANCHMSA-N 427.456 4.926 30 10 IJEE C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN1C(=O)OC(C)(C)C 2317351397 HULWPMGTYOUDSY-WMZOPIPTSA-N 430.354 4.503 30 10 IJEE CC(C)OC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccco2)C4=O)cc1 2321989769 MAKQQFJZXWYGGA-UHFFFAOYSA-N 445.471 4.813 30 10 IJEE Oc1ccc(C=Nn2c(S)nnc2COc2cc(Cl)ccc2Cl)cc1Cl 2322256088 ADEZOLDKFHRTAI-UHFFFAOYSA-N 429.716 4.694 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1cccs1)CO2 2322308454 ULDSCNLKXJWHPY-UHFFFAOYSA-N 434.473 4.933 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c(OC)c1 2322785071 NHCXDHPDLAIGNI-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 2323126662 CHIGOHSAIARQSI-UHFFFAOYSA-N 441.317 4.848 30 10 IJEE O=C(COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1)Nc1ccccc1F 2323186951 MMNULSYSBMXTFX-UHFFFAOYSA-N 433.435 4.511 30 10 IJEE COc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1cccc(Cl)c1 2323561651 ZACMFIVJMOZJIK-UHFFFAOYSA-N 442.850 4.709 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 2323629966 XYSGVNWBMABUTA-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCCN(CCC)C(=O)COc1c(OC)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2323896663 GWSLPYLIPAUNMM-UHFFFAOYSA-N 439.552 4.936 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1O 2325448737 MUYRHFHKXALBKG-UHFFFAOYSA-N 430.533 4.649 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325603875 GATMRUOQUFYUNM-UHFFFAOYSA-N 433.493 4.782 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1OC 2325702555 LKBIHKHXXIZDOK-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1cc(C=NNc2ncnc3[nH]cnc23)ccc1OCc1c(Cl)cccc1Cl 2328810577 GWHHYDLAGNRAHZ-UHFFFAOYSA-N 443.294 4.693 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccs1 2330587478 GOCLNJOUOFKYSV-UHFFFAOYSA-N 439.610 4.738 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2331293315 VXFBLDOPOVCLSW-UHFFFAOYSA-N 435.380 4.991 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(Br)c1OC(C)=O 2331393678 DTZKIPWECYTGAZ-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339540448 VVLMNSGWZRXURN-ZWKOTPCHSA-N 443.397 4.560 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)c1ccc(Cl)cc1I 2340175446 ROIPGPRYSGHDHU-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@H]4C[C@@H](CN(Cc5ccccc5)C4)C3)nc2)OC1(C)C 2365109613 YKCUNJPFCQCQKR-UZEKWKPYSA-N 445.416 4.685 30 10 IJEE Cc1ccc(C(=O)C[C@@H]2S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1 15054967 XDLQOVBCJNRQRV-BQRJAFJYSA-N 432.501 4.815 30 10 IJEE CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)C2 20884574 ILNIBVPWGJRVEA-QUCCMNQESA-N 449.547 4.885 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccccc1Cl 33409577 GOGMZHBCKSYJFV-SYKNXGGPSA-N 438.955 4.660 30 10 IJEE C=C(C)C/N=c1\scc(-c2ccc(OC)cc2OC)n1/N=C(/C)c1ccc(OC)cc1 33732239 VGCRTBUFJWBQIK-KTDDIEQMSA-N 437.565 4.992 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C/c2cc(C)ccc2O)C1=O 36301383 UCOBGCPCAIRNIC-CPNJWEJPSA-N 425.506 4.643 30 10 IJEE CCN1C(=S)N[C@@H](c2ccc(O)c(Br)c2)C(C(=O)c2ccccc2)=C1C 169931655 HRLMTVFZSHOYKB-SFHVURJKSA-N 431.355 4.563 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2OC)c1 169941786 NWGKPPJODAUVBK-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972600 FUCMRNJRWOFKBR-DEOSSOPVSA-N 443.474 4.848 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccccn1 169994659 IQNPXSKWVDPRJP-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 170050808 BAAQOFGMJYLUIQ-HSZRJFAPSA-N 441.483 4.873 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2)cc1 170064902 TXEFCLHXWDVIOC-QFIPXVFZSA-N 425.500 4.782 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@@H]2c2ccco2)ccc1F 170099238 AVAJIOUTGVBYTP-LJQANCHMSA-N 435.386 4.525 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)cc1 170162877 FUSZHNGWOZLTIL-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccncc1 170199109 JTRIMJKRYXBESD-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccncc2)cc1 170201373 DSKAQQYVCKDDQV-JOCHJYFZSA-N 432.451 4.575 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc2ccccc12 170221047 XYMPGEKFFWBSDG-QHCPKHFHSA-N 431.488 4.845 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3ccc(F)cc3)ccc2O1 170239356 DEKUQNGBYUUEGL-FATZIPQQSA-N 445.446 4.638 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170293051 FHSJQOLFOZPVRI-FQEVSTJZSA-N 434.835 4.853 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(C)o2)cc1 170300793 KPYYPYDUAHXQEB-JOCHJYFZSA-N 431.444 4.662 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC)c(O)c1 170322519 NREMSASUDCWOJA-JOCHJYFZSA-N 435.476 4.916 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1O 170409019 UPXYPYRDXIPIEJ-IBGZPJMESA-N 441.892 4.899 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccccn3)sc2c1 170479061 JECUOFUUBDIBLX-GOSISDBHSA-N 437.521 4.605 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 303635331 PNEIGHYNZRSIGE-QXNWPYRLSA-N 432.545 4.908 30 10 IJEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 441211787 SWEOMIQZESQWAO-OAQYLSRUSA-N 444.466 4.577 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1 463166338 SILKNFGTRXWNQQ-UHFFFAOYSA-N 428.492 4.681 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 472961406 VFTFOGFRMOMRGK-JEBQAFNWSA-N 449.860 4.733 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)NCc3ccc(COc4ccccc4)cc3)CC2)c(F)c1 506499917 OZGPBNMNAQZWDV-UHFFFAOYSA-N 443.522 4.809 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 508129517 BPADFCDBVDPMBH-UHFFFAOYSA-N 442.441 4.508 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 508489802 OSCSCDPHLSYJSU-RTWAWAEBSA-N 440.906 4.511 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@]2(CCCOC2)C1 508956153 NJRPIDPVAXHELX-OAQYLSRUSA-N 437.371 4.747 30 10 IJEE C[C@@H](N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1F 512665500 GGVWLZRBZVXJKD-IQMFZBJNSA-N 426.488 4.680 30 10 IJEE C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 549253037 WWVQYZJVRNZONO-PBDKAQRYSA-N 446.595 4.761 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 549641188 JQBGIXZISIAWAF-WZONZLPQSA-N 436.531 4.559 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@](O)(C(F)(F)F)C1 549686098 WNWDFKPBEMXFBZ-OPAMFIHVSA-N 446.473 4.651 30 10 IJEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1c1cccc(F)c1 565742011 JHAWOKMSTMCYOJ-BTYIYWSLSA-N 430.487 4.507 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Br)c3)n2C[C@H]2CCCO2)CC1 568420030 RUQBCZCNWHCUEH-QFBILLFUSA-N 447.377 4.516 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(c2ccccc2OC)CC1 606780400 ZYXFMERUSQCKJH-UHFFFAOYSA-N 434.458 4.678 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 731399827 GEQCWCYMZJMITR-IRXDYDNUSA-N 432.590 4.849 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)Cc1ccccc1 743302099 AAIPHYYSXBDDIQ-JOCHJYFZSA-N 433.552 4.575 30 10 IJEE C[C@@H](OC(=O)c1csc(-c2cccc3ccccc23)n1)C(=O)NC1(C#N)CCCCC1 778191965 UHFVFEZWQAVRQN-MRXNPFEDSA-N 433.533 4.851 30 10 IJEE COc1cccc(Cc2cnc(NCc3cn(CCC#N)nc3-c3ccncc3)s2)c1 788401034 NRICMJCBIKNDLD-UHFFFAOYSA-N 430.537 4.527 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1C#N 788790214 ULLOXAQZYIKHGD-UHFFFAOYSA-N 444.278 4.778 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 790649717 GRBNRBYDSNBNQC-MRXNPFEDSA-N 444.416 4.676 30 10 IJEE Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(F)(F)F)cn2)cc1 804604033 KBVZNAQKYYRKIM-UHFFFAOYSA-O 441.458 4.891 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1 1084040001 UKRRXTZGACOTNF-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE N#C[C@]1(N[C@@H](Cc2ccccc2)c2ccccc2)C(=O)Nc2ccc(Br)cc21 1088727142 OHIVEHUFLGDSRY-JTHBVZDNSA-N 432.321 4.694 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2(C)CC=CC2)c1 1130325036 FSCSXVOPSTZFOU-UHFFFAOYSA-N 430.957 4.560 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)n[nH]2)c1C 1136484142 PAEUGKJBOWEUEH-INIZCTEOSA-N 427.961 4.696 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CC1CCN(CC(F)F)CC1 1136589184 BSMUBXOJEMTMED-UHFFFAOYSA-N 427.495 4.751 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1147118064 STBSBTLWUHFDNK-QFIPXVFZSA-N 442.600 4.680 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3cc(Cl)ccc3Cl)ccc2c1=O 1154893589 BXWSQHAGVLEWKE-NSHDSACASA-N 434.348 4.669 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc3cc(Cl)ccc3n2CCC)c1 1164588141 PWZIVQBQKRKWLS-UHFFFAOYSA-N 426.929 4.521 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1 1166611530 WIAXBKKXDXXLJY-UHFFFAOYSA-N 448.523 4.714 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CCc2ccc(Br)cc2)c1 1167359735 GWNILYCJUVQTCL-LJQANCHMSA-N 442.401 4.876 30 10 IJEE N#Cc1ccc(NC(=O)CN(Cc2cc(Br)ccc2F)C2CC2)cc1Cl 1190642358 BYPNSVKWQOOFSL-UHFFFAOYSA-N 436.712 4.716 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 1221827363 DUKOSCCOVHYRGF-UHFFFAOYSA-N 447.410 4.916 30 10 IJEE N#CC1(CNC(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CCOCC1 1254770685 AHCQITZDNXWBJG-UHFFFAOYSA-N 435.858 4.530 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1264906084 ZMXVGEWYXXXHHS-UONOGXRCSA-N 443.357 4.652 30 10 IJEE CC1(C)Cc2c(Br)cccc2[C@@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1274149743 CMVXFKVQGFAGPD-INIZCTEOSA-N 438.247 4.788 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1286544996 QLSZUCXDUFWTQH-CYBMUJFWSA-N 436.423 4.559 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(F)(F)F 1286560495 FKROQBDHHIQFMA-OXJNMPFZSA-N 447.505 4.807 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(CC)(CC)C1 1286592106 JVESCPAEYOOEOS-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1286678722 CNVZFHYSHCZRRZ-LEWJYISDSA-N 426.630 4.864 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)CC[C@@H]1C)c1ccccc1 1286681871 VWMPJTWUCUXEAE-JXNNMWDUSA-N 438.616 4.987 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286688730 YUYHAESWZJCBBH-TZIWHRDSSA-N 429.634 4.821 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC2(CCC2)C[C@H]1CC 1286690781 PHNVNYDBWJYEPI-GOSISDBHSA-N 427.618 4.785 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCC[C@@H]1CC 1286718234 CASZNPNOKKQLLC-IBGZPJMESA-N 432.410 4.594 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(N2CCCCC2)nc1 1286728450 AIZRACRLOJNKLE-UHFFFAOYSA-N 448.640 4.935 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccccc1Cl)C1CC1 1286738053 ZLFUUPMQHNCLCZ-JOCHJYFZSA-N 428.989 4.646 30 10 IJEE C=CCN(CCOC)c1nnc(CCc2ccccc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286768788 HWRVWXUBRJJHLM-PMACEKPBSA-N 436.522 4.996 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1286769625 FVCHKXRGQRFNGL-MSOLQXFVSA-N 449.368 4.817 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 1294074947 FYTGGIFNQYTBEZ-UHFFFAOYSA-N 433.508 4.574 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCCC[C@H]2Cc2ccccc2Cl)c1 1298612328 MEYRPOVATAEHIM-NRFANRHFSA-N 443.996 4.765 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1300317084 JORNBTZODNTIEZ-GHTZIAJQSA-N 445.007 4.525 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1300416156 ALJNDRWHFZBSFM-UPVQGACJSA-N 434.609 4.948 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCOC[C@H]1C 1300602952 LYPWMRGTMHBZNW-CVEARBPZSA-N 428.989 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](CC)N1CCc2ccccc2C1 1300806073 OYXNGVVPWQFXBD-YIXXDRMTSA-N 433.644 4.696 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1300831408 YCLAEFQYOIUPQI-FFSVYQOJSA-N 443.748 4.774 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(CCc2ccc(F)cc2)C2CC2)nnc1C(C)(C)C 1300898456 XPXSGKOWEYEYLZ-UGKGYDQZSA-N 426.580 4.907 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1300973535 ZIWGRFUMDRIETG-RBUKOAKNSA-N 437.613 4.725 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1300999470 COZFLBBJTIRIBE-VXKWHMMOSA-N 438.616 4.982 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301211979 QKGSXPCAFOYVLC-KXBFYZLASA-N 431.462 4.616 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1301245538 DSZYWFWXOPHOMB-DHIUTWEWSA-N 437.632 4.629 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1Cc1sccc1Br 1301308989 NRJGADMEWUAOCK-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)C1 1301554005 WMFFIJGCCFWYTQ-IFMALSPDSA-N 435.547 4.700 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCC3(CCCCC3)O2)cc1 1304396114 HKBIWRLAZUJJMA-UNMCSNQZSA-N 437.588 4.786 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1OC 1308212595 PSKDPQONNXENRG-INIZCTEOSA-N 440.931 4.922 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1310076124 HYYOSMRMQSFVDM-YADARESESA-N 432.568 4.576 30 10 IJEE CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C#N)cn1)N(C)C 1311055640 DQGNWVFQXDBFMU-IBGZPJMESA-N 434.371 4.880 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)Cc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1311844557 GKNIRDQUKQVWHC-PZJWPPBQSA-N 441.369 4.939 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccco4)nc4ccccc34)n2CC=C)C1 1322676617 WHQZFCXBOIOOAO-SFHVURJKSA-N 427.508 4.721 30 10 IJEE COc1cccc(C2=NO[C@@H](C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)C2)c1 1347983557 DQHQANSULKYPQT-FOIQADDNSA-N 437.565 4.911 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc(OC)c1OC 1351760570 PUPDHGPYIYFILC-UHFFFAOYSA-N 442.515 4.813 30 10 IJEE CCOC(=O)Nc1ccc(F)c(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 1358318890 GIRCROCWMAISCU-NXEZZACHSA-N 430.320 4.597 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1358378288 VJZSRYJSUKRHOX-FQEVSTJZSA-N 435.326 4.952 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1csc(Br)c1 1358924832 KCNQLBMDMRCTBL-UHFFFAOYSA-N 440.370 4.691 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1OC1CCCC1 1359003119 YZUDUBYAKMZTLQ-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCC[C@@H](C)C1 1359003204 BQXWYRKXSXZDNL-ZCNNSNEGSA-N 439.673 4.711 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1359052184 XBMPQBOPZPEWQF-IRXDYDNUSA-N 445.430 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCn2ccnc21 1359116125 YVWHUNJWDJRWMR-OAQYLSRUSA-N 434.588 4.650 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359166346 PGDBLSQPMVINIS-FGZHOGPDSA-N 439.623 4.923 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCc2csc(CC)n2)CC1 1359180871 WIBHYXFWYVGALW-UHFFFAOYSA-N 437.613 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359191254 SSVQSUDOSXKQMC-UHFFFAOYSA-N 435.616 4.775 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1359209413 MEZSDMMPUBWSKS-WBVHZDCISA-N 436.398 4.643 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359219476 RECHULHNEWPAPR-UHFFFAOYSA-N 440.979 4.557 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN1C[C@H](C)C[C@@H](C)C1 1359234938 HDZPWDKJIPFGTO-QZTJIDSGSA-N 432.012 4.597 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](F)C1)C1CC1 1359253410 DTDFGOHPNNUXTC-AOIWGVFYSA-N 433.572 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CC(F)(F)CO1 1359268526 STWDHDBHICBQBD-WBVHZDCISA-N 434.556 4.734 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1359283144 UYJYNUPTNXYNHX-KRWDZBQOSA-N 438.601 4.858 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1359345242 YKUJXUBZZPUVCL-FQEVSTJZSA-N 441.626 4.600 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCCC1(C)C 1359476471 FJVZCPZAUCSSEC-KSFYIVLOSA-N 448.036 4.761 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)c(OC)c1 1436272494 USNQCBFGCCNIGN-DYVFJYSZSA-N 425.369 4.534 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1Cl 1436900556 QCWNHRHTCBSRGC-KSZLIROESA-N 447.000 4.838 30 10 IJEE COc1ccc(Br)cc1-c1nc(C(=O)N(CCC#N)CCC(C)C)cs1 1443572150 IDZMVIXLJLDIGX-UHFFFAOYSA-N 436.375 4.983 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)cc1 1459259643 BTEIEFSRJCECDM-UHFFFAOYSA-N 443.503 4.525 30 10 IJEE CC(C)(C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1cc(F)cc(C#N)c1 1460269030 HPJKJNSLTQPXBC-UHFFFAOYSA-N 425.451 4.856 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1467587186 JNLPTZCFEBEGBC-JWQCQUIFSA-N 430.548 4.564 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cccc(NC(=O)COC)c1)c1ccc(C(F)(F)F)cc1 1467839286 MDQZNMPLWWNROJ-HXUWFJFHSA-N 449.473 4.797 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(CNc2ccncn2)c1 1468866258 BWHBGQHHZAZFLW-UHFFFAOYSA-N 439.313 4.668 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 1473140092 DKHPUYCIYFUBHM-ZDUSSCGKSA-N 436.281 4.512 30 10 IJEE C=CCOc1ccccc1CNCc1cc(Br)cc(Br)c1O 1474005553 ACTUIOPDKXTHAL-UHFFFAOYSA-N 427.136 4.772 30 10 IJEE N#Cc1cc(Oc2ccc(NC3CCN(C(=O)OCc4ccccc4)CC3)cc2)ccn1 1474165768 DTHPSDCDNSUSHF-UHFFFAOYSA-N 428.492 4.959 30 10 IJEE C#CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccccc1 1478246729 WNSGGHCKSXUQFQ-JOCHJYFZSA-N 433.552 4.938 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H]1C 1493840178 AKYMJNMWSDCUDH-IBGZPJMESA-N 434.613 4.778 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1494973716 CUJWAKCQFJGNCU-UZUQRXQVSA-N 433.556 4.948 30 10 IJEE COc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)CC#N)cc1 1504265068 CQZGSEOXGADPLD-ZDUSSCGKSA-N 446.374 4.564 30 10 IJEE COCCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1504738346 FBRNDDXYMMGXCW-ZHRRBRCNSA-N 449.958 4.576 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1507554308 OPIZQWQJPKPRTB-SFHVURJKSA-N 442.007 4.537 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(C(C)C)CC1 1507557389 WGIXPMXWPUZQAF-UHFFFAOYSA-N 434.415 4.976 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(c2cnn(C)c2)CC1 1507557924 UVFQLMWTFCHDLD-DEOSSOPVSA-N 430.600 4.741 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1Cc1csc([C@@H](C)OC)n1 1507699698 JOZXWMZWJMYPEF-DLBZAZTESA-N 441.576 4.783 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(C)=C(Br)C1 1507794560 HZNHSSVGPWUWLJ-ICSRJNTNSA-N 443.389 4.805 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507838783 XYKLUFYJCOSXEE-BGYRXZFFSA-N 436.556 4.802 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2cc(Br)ccc2OC)CC1 1507887382 ODCADJXWAOOMKH-UHFFFAOYSA-N 445.405 4.987 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)c2cccs2)CC1 1507894925 QHJVSNSTLXFTJV-UHFFFAOYSA-N 429.634 4.638 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)N(CC)CC)CC1 1507897778 QRTLAGTVPGIDNQ-KRWDZBQOSA-N 432.012 4.740 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)CC(F)(F)F)c1ccccc1 1507928230 IBIUTOCHELXAOH-QGZVFWFLSA-N 435.519 4.992 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1507976017 WZMFXZZXTWBKKN-HXUWFJFHSA-N 440.588 4.535 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCC 1508106709 VVYOOXRESQAYRE-UHFFFAOYSA-N 444.377 4.885 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 1519083130 YGUBSRJYXGXRHO-LJQANCHMSA-N 440.348 4.790 30 10 IJEE C#CC[C@@]1(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)CCCN1C(=O)OC(C)(C)C 1521720318 KCGCAFQZHBXDBH-QHCPKHFHSA-N 436.955 4.666 30 10 IJEE C#C[C@H](NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccc(Cl)cc1 1525038402 JSRSQKBEKYEARI-KRWDZBQOSA-N 425.834 4.713 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)c1 1526913790 HDGJMQMFQVMHDM-GOSISDBHSA-N 444.622 4.633 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1529665522 DAKHSBGDMMNZHD-SIBVEZHUSA-N 433.552 4.656 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N[C@@H](C#N)c3ccccc3Br)c21 1533243296 QCPGFHPFTBRPOV-KRWDZBQOSA-N 441.329 4.545 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)cc1OC 1536628958 FPGOCFLRJDDHND-NTUHNPAUSA-N 426.538 4.805 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2CCC[C@H]21 1539498979 ADBWTMOASSESSS-ZIAGYGMSSA-N 437.432 4.514 30 10 IJEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N(C)CC1CC(F)C1 1539587811 LSIQEGVVOCMRKB-UHFFFAOYSA-N 430.325 4.586 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H](C(C)C)C1 1539610284 XEFMPUAORLHYCJ-KRWDZBQOSA-N 449.393 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccccc1C 1539644289 OBPPZGGRXREBTI-DHLKQENFSA-N 438.616 4.816 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)c2ncc(C)s2)CC1 1539891676 IVUVSUVZQDHKJI-MRXNPFEDSA-N 425.577 4.979 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1539912492 LRAWSIXDMZBNBU-QHCPKHFHSA-N 430.600 4.653 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)cs1 1539977032 IJEAKIYXELHPTG-UHFFFAOYSA-N 444.004 4.834 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C(C)(C)C)no1)C1CC1 1540116135 MVQHORRLAWNIIG-UYAOXDASSA-N 427.593 4.685 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC(C)CC1 1540126181 GVLBOGIBYCSIKL-JOCHJYFZSA-N 430.600 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCn1ccnc1C 1540154473 XKRZZVBMIHDBQW-SFHVURJKSA-N 436.629 4.905 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC(CN(C)C(C)C)CC1 1540880125 YPNZTKKDFNPQOP-UHFFFAOYSA-N 425.621 4.571 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccco1 1540880830 RHCFQOZGPVNNPL-IBGZPJMESA-N 429.524 4.667 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2ccc(F)cc2)C1 1540893468 DLMYBAKNLMQAGV-NRFANRHFSA-N 440.588 4.829 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)CCCN1C(=O)OC(C)(C)C 1544382401 DWHAHFRGCBDPSW-SANMLTNESA-N 439.600 4.650 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(F)c2F)CCCC1 1556184812 HCBJOUMKOGBNNG-KRWDZBQOSA-N 442.934 4.929 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Br)cc1 1556782015 UJROKMABDJCWIS-LJQANCHMSA-N 431.289 4.548 30 10 IJEE CCCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)CC(F)(F)F 1559538861 BGECMLKJFFFKCK-UHFFFAOYSA-N 438.469 4.767 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(CSc2ccc(F)cc2)cc1 1562932523 MQDXFTTYNXTAFM-UHFFFAOYSA-N 428.529 4.927 30 10 IJEE C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(Cl)c2ccccc12 1564620936 HOFFZXNTURZNHI-UYAOXDASSA-N 432.955 4.974 30 10 IJEE C=CCn1c(SCC(=O)N(C)c2ccc(Cl)nc2)nnc1-c1ccc(Cl)cc1 1586346680 GNDVFZCEDYUCQC-UHFFFAOYSA-N 434.352 4.588 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1587769867 PLFUNRCVTPQPMU-QHCPKHFHSA-N 426.580 4.759 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1587941431 AGSOQBCTSJFIEW-RLWLMLJZSA-N 439.559 4.635 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@H](C)C1 1588089644 MARPXUUXOOBUMA-NZQKXSOJSA-N 425.580 4.862 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1 1589251005 HORNSTJHYITGRD-WZONZLPQSA-N 444.048 4.558 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOCC2CC2)CC1 1594063966 GYHONEBBPIPPST-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1594461490 SKLMREGULGXDQI-UHFFFAOYSA-N 429.572 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1594483833 FGUMYPNVNPESRQ-UHFFFAOYSA-N 442.608 4.759 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1594521484 OYZMUJHDJDVXHP-SFHVURJKSA-N 435.572 4.946 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)CCC)CC1 1594608549 OGMFPQZZTRJGNW-UHFFFAOYSA-N 434.588 4.668 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1594608817 XGQFNPGGQXMXAG-UHFFFAOYSA-N 437.979 4.826 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1594692680 CKHMMZNTVWAWEN-UXHICEINSA-N 425.533 4.603 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC1(CC)CCOCC1 1595133603 IUBLDYPLOMSVSE-UHFFFAOYSA-N 449.574 4.802 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCc1nccnc1C 1595162153 XUWSIVBYCSZNIS-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)c1ccccn1 1595239379 JFOJNOPIXIGLQN-UHFFFAOYSA-N 426.568 4.881 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(OCCCOC)c1C 1596886064 CHQHWQRPNCVVPA-UHFFFAOYSA-N 434.330 4.990 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F 1598455351 KQXZWTWSTDCPBR-FZMZJTMJSA-N 436.858 4.640 30 10 IJEE N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CCc2ccncc2)c1 1620347857 FKCWDSCHBBLRDF-UHFFFAOYSA-N 440.473 4.623 30 10 IJEE C#CCN(C1CCCCC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1621724606 BDRSQSJILWOIHL-UHFFFAOYSA-N 425.175 4.713 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 1625538323 GXXXZAGSHXEWIP-CQSZACIVSA-N 449.345 4.784 30 10 IJEE N#Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2O)ccc1OC(F)(F)F 1626115153 AYQOCQNFHQBRRL-UHFFFAOYSA-N 428.366 4.994 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2n[nH]c(CC)n2)cc1 1626553752 DXESNPHRRJXIOL-UHFFFAOYSA-N 443.320 4.764 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 1629310623 RBHZPRVBPFVYBB-QFIPXVFZSA-N 447.457 4.601 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)c1ccc(OC)cc1 1629495419 JEZJSNVQYBTINI-HSZRJFAPSA-N 436.552 4.578 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1nccn1CCc1ccccc1 1629686782 KKQGKPGXQKGLKF-UHFFFAOYSA-N 429.442 4.639 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)cc(OC)c1OC 1630154425 MDEXQUWWQOENPB-PMACEKPBSA-N 436.596 4.840 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)C3(c4ccc(Br)cc4)CCCCC3)C2)cc1 1633656658 GRYSVTDVIGXSIG-UHFFFAOYSA-N 439.353 4.812 30 10 IJEE C=CCC[C@@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)c1ccccc1 1635772509 PZTKVJHRPSZHED-OAQYLSRUSA-N 443.385 4.652 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1639869502 NJEYIDUTTCYHMA-LEWJYISDSA-N 444.575 4.813 30 10 IJEE C#C[C@H](CCC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1641527091 MFDFIJFZXAZLRP-OAHLLOKOSA-N 439.364 4.634 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1653341543 ZJECZLWYTYMNRN-QFIPXVFZSA-N 426.582 4.929 30 10 IJEE C=CCOc1ccc(CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)C)cc1 1653731238 KJJDLWBBDYFCIE-UHFFFAOYSA-N 429.492 4.928 30 10 IJEE C=C(CC)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1657952652 ZBRRBXHFTBTSJM-UHFFFAOYSA-N 445.585 4.906 30 10 IJEE C[C@H](N[C@H](C)C(=O)NC(=O)Nc1ccccc1F)c1ccc(-c2cccc(C#N)c2)cc1 1658205892 AJEYZNFNNQVFQL-DLBZAZTESA-N 430.483 4.752 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C(C)C 1659301360 KUOUHRWYCQOHRW-FQEVSTJZSA-N 435.494 4.711 30 10 IJEE CCOc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)c2cccc(Cl)c2)cc1 1661017016 AFAUEPWBUOLFRX-JOCHJYFZSA-N 444.915 4.817 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 1664248690 BDWQHQYCLUYTBE-UHFFFAOYSA-N 425.381 4.623 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C 1667563183 NPNBERWDGFEMHB-UHFFFAOYSA-N 441.503 4.526 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1667925150 GQXSFTJRCIWKOE-CTNGQTDRSA-N 433.637 4.883 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1 1668388891 AIPHHVPZQUXEPA-OYYPCOLYSA-N 439.600 4.684 30 10 IJEE Cc1ccc(C)c(N2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)CC2)c1 1668840864 CQZMITQUFSGNCX-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1679193245 BFWZWIUYRPLSDC-LEWJYISDSA-N 429.561 4.958 30 10 IJEE C#CCC1(NC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)CCCCC1 1680518905 BOGNYSDUVVTTNI-CQSZACIVSA-N 431.334 4.586 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1681551939 JSOSMIOGPAOSIN-KNBMTAEXSA-N 437.531 4.965 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 1683203595 WQOQKDQMUGAKOD-HUUCEWRRSA-N 427.998 4.887 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(CCOC)Cc1cc(Br)cs1 1683289179 OQNFNDNBIAKXJI-GOSISDBHSA-N 437.403 4.856 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccc(Cl)cc1F 1683688552 FLONTLKJRJAIED-SFHVURJKSA-N 439.687 4.823 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1COc2cccc(C)c2C1 1684227937 QWLVCEYLUOGAPL-KRWDZBQOSA-N 433.321 4.598 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc3ccccc3nc2O)cc1 1687868681 CPSLSDZJHBEQKP-UHFFFAOYSA-N 440.478 4.863 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1689892970 QXIROVKJXGRHBN-VQTJNVASSA-N 445.652 4.800 30 10 IJEE C#CCCCCn1c(N(C)C2CCN(CCC)CC2)nnc1C1(c2ccccc2)CCC1 1689906120 IPYQIEMIEYKSRL-UHFFFAOYSA-N 433.644 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1690236197 JNIPWJHWXSXSRH-KOVSNXQUSA-N 437.632 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCOC)CC(C)C 1690239385 VQZFBJXXPAEUGR-FPOVZHCZSA-N 432.996 4.689 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2c(C)noc2C)CC1 1690396505 DVTLAATWSOLBCV-QGZVFWFLSA-N 425.508 4.613 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1Cc1cccs1 1690451391 FRTZHXGUAHDMKY-SFHVURJKSA-N 436.585 4.555 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1690467075 KWBOQSICWJYLSX-IBGZPJMESA-N 445.633 4.638 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(Cl)nc1 1690515378 LPJJJJNMJLYEGJ-INIZCTEOSA-N 427.936 4.536 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1690602333 MPRSJFGWSHFZJK-VJANTYMQSA-N 442.526 4.549 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2c(CC)noc2C)C1 1690690274 VLYLMCRQFVORFQ-NRFANRHFSA-N 449.599 4.931 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1692292264 IDJKKMARNTYGKF-LOSJGSFVSA-N 434.588 4.744 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)CCO[C@H]2C2CC2)cc1 1693157350 AHMGCLRHRBTLJA-OUOWLKGYSA-N 439.629 4.822 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@@]1(OC(C)C)CCOC1 1705521418 BHEQIXDGRLXGNR-NFBKMPQASA-N 428.602 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc2c(n1)CCCC2 1705592052 ARRZUPPBRAONBC-UHFFFAOYSA-N 447.945 4.523 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(Cc1ccccc1)CC1CCOCC1 1705659589 ASNASQLXABRHPK-UHFFFAOYSA-N 438.641 4.735 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC[C@@H]1C 1705712608 ACBOERPZUBQSGI-LSDHHAIUSA-N 439.423 4.844 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705721715 SHNFPHHCWUIHRP-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705745111 AITSFSRDCGQXSL-RTWAWAEBSA-N 439.995 4.622 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC(C)C 1705753525 CAVPVJPWWGDSAF-QGZVFWFLSA-N 426.005 4.627 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)Sc2ccccc2)CC1 1705785471 JLNRDCBQIRGDSZ-CBQOVEMMSA-N 442.629 4.585 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705792068 LSGSHJICOYCRAS-OALUTQOASA-N 429.634 4.842 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1705809511 TYRIHXMGRGPXBT-UHFFFAOYSA-N 436.478 4.921 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@H](CCC)OC)C1 1705919968 NOFSRDKOYWHFDT-YZGWKJHDSA-N 444.645 4.728 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CCCS1 1706927798 CDQYOWAUTQJRNN-JJEOQYAHSA-N 443.592 4.973 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)OC 1708361498 CQKCSJGUWIVHQS-QFMFQJCFSA-N 446.599 4.993 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CC1C[C@@H](C)O[C@H](C)C1 1712014579 CJFLEBMOGKMOJT-KZNAEPCWSA-N 443.617 4.521 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCN(CCC)C1 1722281898 WAXJYOPJWPKFTH-QUCCMNQESA-N 448.640 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1722288070 VUBVXVNMTSUMQU-FHWLQOOXSA-N 428.024 4.813 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCSC(F)(F)F 1722303540 OWOQQZHOLNZCDO-OAHLLOKOSA-N 440.535 4.866 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C(C)C 1722402330 LJHIAZWSGASGFM-QUCCMNQESA-N 432.996 4.819 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1722454302 AYMDBWPSOOOKNL-JOCHJYFZSA-N 440.657 4.860 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCCCCC1 1722502562 TXYORWMFMLSUQJ-DXBBTUNJSA-N 430.637 4.948 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1722562273 SHKJPLDNWDKRDY-XMMPIXPASA-N 437.632 4.547 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1722675258 LQCNLRNHRGEPHP-FNZWTVRRSA-N 434.584 4.887 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](OCC(C)C)C1 1722735345 MSVIWJDDVJXEES-FQEVSTJZSA-N 437.613 4.664 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCC(C)(F)F 1740727722 WLMNXYKMITZXHQ-GOSISDBHSA-N 441.295 4.884 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](CC(C)C)N(C)C 1740728085 LMHBWHKXUUCARP-YADARESESA-N 444.023 4.576 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(F)F)C1 1740796826 IIKICVKLPBADDH-SFHVURJKSA-N 436.572 4.953 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ncccc2C)CC1 1740832786 IIQKKDCXPXOLOB-HXUWFJFHSA-N 447.583 4.971 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC2(CCCCC2)C1)C(C)C 1740925773 DQARCMUSNRZGLG-XZOQPEGZSA-N 441.664 4.989 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(C)CCCS1 1743723909 GNGTZLNXWXQEDU-YADARESESA-N 438.645 4.666 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cccs1 1748860390 XPGDOFIUTJTLFW-UHFFFAOYSA-N 445.375 4.541 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C2CC2)C1 1749085707 CXRHUBCIVRYALC-ZBFHGGJFSA-N 435.341 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCOC1 1749122173 SOGOQGRQPHBERM-RRPUWOKSSA-N 438.616 4.697 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)(C)CC1 1749136982 VNSGBJVIVVCUJM-XUZZJYLKSA-N 438.616 4.680 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1749280219 FIRAVMCVOUNELR-FQEVSTJZSA-N 446.910 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2c(C)noc2C)CC1 1749294206 RXBXESYXKCTQIM-UHFFFAOYSA-N 427.936 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1749375581 DPYJUYSOGSRURP-RTBURBONSA-N 449.640 4.547 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCOC(C)(C)[C@@H]1C 1749408054 DWMNILPJHVSGED-SFHVURJKSA-N 430.618 4.939 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749409273 SXIGXMSGIUWXBH-OAQYLSRUSA-N 439.604 4.897 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](OC)C(C)C 1749473376 GPQSEYKAACQUSL-INIZCTEOSA-N 427.774 4.654 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC(C)(C)N1CCCCC1 1749538364 HSIAFCCVHUTAOP-UHFFFAOYSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccs1 1749548882 MUMPHKZYCLXQGT-QFIPXVFZSA-N 444.626 4.683 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccc(Cl)s1 1749608266 XCBXOWBGWIVOQG-UHFFFAOYSA-N 440.798 4.974 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2csc(C)c2)C1 1749718244 UFFOZHNBMNHTDX-OAQYLSRUSA-N 438.597 4.673 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC2(c3ccccn3)CCC2)c1 1751395026 BQAOFRGZHVLBDS-NRFANRHFSA-N 444.583 4.587 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1760330525 GLPFMZYQKFQYPH-NTKDMRAZSA-N 428.577 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS1 1760340440 ZLFFTUXBKMKIBF-ROUUACIJSA-N 435.638 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC2CCCC2)cc1 1760341000 VWHIVFKOVBDVPX-UHFFFAOYSA-N 448.615 4.912 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1760378128 ZWWDCYUBPUFAMC-GOSISDBHSA-N 444.963 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1 1760415540 BXADQCIJQTWJLL-VWLOTQADSA-N 442.604 4.863 30 10 IJEE COc1ccccc1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1768950471 CGMPFIFQELTROL-IRXDYDNUSA-N 435.597 4.927 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1c(Cl)ccc(Cl)c1Cl 1861150749 UZINROBSEBNAPH-BBRMVZONSA-N 449.806 4.699 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1861826010 OKYTXAOXXJBTJL-QGZVFWFLSA-N 443.997 4.576 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2[N+](=O)[O-])cc1C 1862404112 MWTBGFDWPWRRDA-NRFANRHFSA-N 438.480 4.536 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430128 CPPVRKQLINJZQS-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 1862474268 LURYBDVNXHWQNL-JOCHJYFZSA-N 425.500 4.919 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(F)cc2)ccc1F 1862501355 AXHBTJSJCSQSFD-QHCPKHFHSA-N 449.453 4.931 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 1862521584 LUFCSYUSWKOAQF-HSZRJFAPSA-N 436.552 4.920 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862561784 TYQQWPQGMPAGOY-JOCHJYFZSA-N 436.552 4.570 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C(C)C)cc1 1862631994 JMDOCAMWVDYXCR-JOCHJYFZSA-N 437.492 4.581 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C)cc2)cc1 1862698766 NKXHPMVNKOHNGG-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCCOc1cccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863113032 MXIUSMSDVSWPSE-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccncc2)C1=O 1863651351 QACPNPNILQOEHM-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871349185 IWQCAYPOEQWSBT-HMAPJEAMSA-N 426.944 4.840 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CC 1872294723 OKSWKBPSOCWMIV-QHCPKHFHSA-N 449.661 4.648 30 10 IJEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(O)c(O)c1 1874224060 QKXFRGMNOIWQQP-LFVJCYFKSA-N 440.569 4.648 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC=C 1874296822 VDMTZVNCVZMVOS-XQNSMLJCSA-N 435.509 4.502 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccn2)cc1 1874304902 WSWLVCKDGUUVKP-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2)cc1 1874511947 SXJSEICDEPOZTQ-ZMOGYAJESA-N 425.533 4.716 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(OC)c(OC)c2)cc1 1874567669 KKUTUSOAUISANJ-LFVJCYFKSA-N 440.569 4.626 30 10 IJEE C[C@H](NC(=O)COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 1874593092 RNULJOMMQRQEOI-JKGDOXCYSA-N 430.460 4.747 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Br 1874625947 FBEAVBJPPYMRII-XVNBXDOJSA-N 439.252 4.955 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(CC)cc1 1874650341 HXMWKDPGTZSSNP-SANMLTNESA-N 443.591 4.591 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccc(C)cc1 1874698418 VQZZQCMHCZJKPI-NTUHNPAUSA-N 431.444 4.956 30 10 IJEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)ccc1[N+](=O)[O-] 1874707647 PFGGCJHQUKFQNT-WEVVVXLNSA-N 431.400 4.747 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(COC)CCN(C(=O)OC(C)(C)C)CC1 1922104213 QIOHTMBPNALZDW-QHCPKHFHSA-N 446.632 4.791 30 10 IJEE CN(C[C@@](C#N)(N(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1944385844 NETKZRGTJISFER-GAJHUEQPSA-N 439.597 4.578 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1ccc(Br)cc1C#N 1954225448 XIMNGJJOCDYVDS-UHFFFAOYSA-N 430.346 4.852 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@]2(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1984530356 LAMZQBBYTKAIMY-JOCHJYFZSA-N 433.574 4.778 30 10 IJEE C=C1C[C@@H]1C[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1996703354 WLUPXKFMWIBRPZ-PKTZIBPZSA-N 427.633 4.880 30 10 IJEE CC1(C)CC[C@@H](Nc2cc(Br)cnc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2167613862 OFLSTFHCGGVDFH-UKRRQHHQSA-N 437.382 4.847 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(C[C@H](O)c1ccc(Br)cc1)C2 2169745161 NJQYXUONCOMJGS-BZSNNMDCSA-N 438.362 4.620 30 10 IJEE CCCc1ccc(C#C[C@H](NC)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223316227 OYIZENSJQZFSRF-LOSJGSFVSA-N 436.596 4.689 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 2235721096 QINLKAIEQSOHPE-PMACEKPBSA-N 429.358 4.655 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C1CC1 2243924880 NFWMLQYFRYXQNK-RUZDIDTESA-N 445.563 4.844 30 10 IJEE N[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Br)o1 2264120186 GCDDAEQNXMRMBL-NSHDSACASA-N 433.925 4.619 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CC[C@@H](OCc3ccccc3)C2)c1 2281933836 DTZGIRYMYCWNRL-XMMPIXPASA-N 449.400 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@H](O)CC#CC1CCCC1 2289925518 VWEOYGMQTQBZDF-VQTJNVASSA-N 436.390 4.830 30 10 IJEE C=C(C(F)(F)F)[C@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2290834957 RBKQBHZJVWPXAA-JTQLQIEISA-N 438.059 4.708 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CC[C@H](NC(=O)OC(C)(C)C)C1 2296215785 DMXDYTHAYDFSJL-NNMXDRDESA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@H](O)C#Cc2cccc(Br)c2)CC1 2296219854 RZSFJLMKUOLCPZ-HGHGUNKESA-N 440.353 4.585 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1(CC)CC(NC(=O)OC(C)(C)C)C1 2296230008 OZJBBGBRBYKYOH-GSVIPDFHSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C1(CNC(=O)OC(C)(C)C)CCCCC1 2296269362 OCVICFWBXREOSM-IBGZPJMESA-N 435.406 4.864 30 10 IJEE C=C(C)COc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2296593743 XVYXMJAHVHNOPT-UHFFFAOYSA-N 429.266 4.887 30 10 IJEE C=C(C)COc1cc(C=C2N=C(c3ccc(Br)cc3)OC2=O)ccc1OC 2297100853 ZHNXUYGGENDFCI-UHFFFAOYSA-N 428.282 4.757 30 10 IJEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)c1ccccc1 2314438590 YECUZLWOJIPHBG-XMMPIXPASA-N 445.427 4.894 30 10 IJEE Cn1cc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccco2)C4=O)c2ccccc21 2321911751 PJAJBBUOFUTFFB-UHFFFAOYSA-N 426.472 4.782 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(Br)cc2)cc1 2322238805 SGLDWSZZFYEZAV-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 2323094345 HFWFKXKCJWZXPB-LJQANCHMSA-N 445.515 4.856 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2323466258 JPPCGEIXCUTBHE-LVXARBLLSA-N 442.600 4.993 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2323472417 GRQMUPCKRHUFBX-NCFAEFNUSA-N 442.600 4.992 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 2323887657 NKIMLJWGLRDHRL-UHFFFAOYSA-N 437.279 4.703 30 10 IJEE CCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324129930 LRPMZQVISZFIJB-UHFFFAOYSA-N 429.900 4.679 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OCC(N)=O 2324269565 VMSURGSPVCAUTM-UHFFFAOYSA-N 437.536 4.624 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OCC(=O)N(CC)CC 2324623395 PLYLLLGNMPXHJP-UHFFFAOYSA-N 445.943 4.891 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)c3C)C2=O)o1 2325631052 RCIASTUQEWIEAK-OAHLLOKOSA-N 448.431 4.827 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3OC)cc(C)c2C1=O 2325736071 FYVKRFUCQDZLHU-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1 2329866983 SDIMCDHFGAESLM-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCCO)cc1 2330043776 ITMQLYRLXYNTCY-UHFFFAOYSA-N 438.597 4.713 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccccc1F 2331320602 KEWLWIVAPPJMOW-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2F)c1 2331362263 PVFPEOXNIDDIOW-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(F)cc1 2331450372 ABRJEADKENIOLV-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE Cc1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCC2)cc1 2331537723 QVEQCUPVJMXYFN-UHFFFAOYSA-N 430.537 4.677 30 10 IJEE Cc1cccc(C#N)c1OCc1cc(I)ccc1Br 2341776418 NXDATFDPLLIJIJ-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE N#Cc1c(F)cccc1NCc1ccc(I)c(Br)c1 2349841251 IDSZXOQPZXRSAL-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE N#Cc1ccc(N[C@]2(C(=O)O)CCCC[C@H]2OCc2ccccc2)cc1Br 2374914758 HEQOKIYLMXBCOK-TZIWHRDSSA-N 429.314 4.715 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(C)cc2)C3=O)cc(OC)c1OC 2107380 PKCCYHZCTBCVKA-SRZZPIQSSA-N 446.455 4.856 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1OC 5800914 BIWPFRJUWPRQFE-XMMPIXPASA-N 443.499 4.525 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccccc2Cl)NCCc2ccccc2)n1 14156946 DUXWNEUPRDGDBC-UHFFFAOYSA-N 438.988 4.744 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C/Nc3cc(F)ccc3F)S2(=O)=O)cc1 20575706 ZWRSQOAYMAHWOC-ODLFYWEKSA-N 446.500 4.821 30 10 IJEE CN1CCN([C@@H]2/C(=N\C(C)(C)C)N(c3cccc(C(F)(F)F)c3)C(=S)C2(C)C)CC1 22938518 KKRCCNUGBWABHE-SJOXAGSUSA-N 440.579 4.692 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc2ccccc12 35566964 IATFWHQNPZHAEQ-FQEVSTJZSA-N 436.533 4.528 30 10 IJEE N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1OCCc1ccccc1 36564446 VEWBCSDOBVDKPX-UHFFFAOYSA-N 443.572 4.739 30 10 IJEE O=C1Nc2ccccc2/C1=C1/S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O 39864146 NXEDHJMDQACVDM-NIWRINFCSA-N 438.940 4.994 30 10 IJEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(OCC)c(OC)c1 39913388 OGMZGLOUWOHLLJ-OAQYLSRUSA-N 439.895 4.893 30 10 IJEE C=C(C)Cn1c(CCCCCNC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21 40222239 FPRLJZGYQKTNFU-UHFFFAOYSA-N 435.568 4.701 30 10 IJEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCCC(=O)Nc1ccccn1 59265608 HJMWWXVUDIPBSL-UHFFFAOYSA-N 444.564 4.745 30 10 IJEE O=C(NCC#CCOc1cccc(Br)c1)Nc1cccc(C(F)(F)F)c1 90731375 PXIJYXRBKCHUAZ-UHFFFAOYSA-N 427.220 4.672 30 10 IJEE C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)cc1F 101190186 ZDGYTELZMWHXHQ-UHFFFAOYSA-N 440.544 4.838 30 10 IJEE COc1ccc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)cc1OCc1ccc(Cl)cc1 169936682 PQRVVENAAIVICS-JOCHJYFZSA-N 442.968 4.796 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)cc2)ccc1F 169958560 IZLMJHKIDRRFDC-NRFANRHFSA-N 439.389 4.901 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2cccnc2)c1 170000527 HRZJOTNVXFLGFU-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccncc2)c1 170019481 NHPNVAKXHBKTJU-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cn(C)c2ccccc12 170083756 NABYHSCRAONXQT-DEOSSOPVSA-N 438.483 4.970 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)c1 170173812 BXYXZGARPFLAJU-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)c1 170187667 IXGHFDXDOLQPPK-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 170193635 SVWVWVNJAKRKSR-QHCPKHFHSA-N 441.531 4.861 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3ccncc3)ccc2O1 170203882 IXCXFXAHLSHDSF-RCDICMHDSA-N 446.890 4.841 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccccc1 170227958 VOVPHFBQSLGUBQ-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccco2)cc1 170287985 DFEHNEWXKPKLDV-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC(C)=O)c1 170321347 XFSSIJXEEQSVRN-HSZRJFAPSA-N 429.472 4.753 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170362152 UDHFQAVMQTYDOE-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1O 170408740 DQJOBYRRUDBZMY-HSZRJFAPSA-N 444.487 4.702 30 10 IJEE N#C[C@H](NC(=O)/C=C\c1ccc(OC(F)F)cc1OC(F)F)c1ccc(F)cc1F 208894728 LFCVMMNFKGSGQV-ZBBQIYFKSA-N 430.304 4.562 30 10 IJEE N#Cc1cc2c(nc1Nc1cc(Br)ccc1I)CCC2 312515061 DZUZWHTXJIZIPB-UHFFFAOYSA-N 440.082 4.553 30 10 IJEE COc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CS 382697633 LTNSEDAWQKQIOK-YJBOKZPZSA-N 436.371 4.740 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 460786970 NYZXONHLQBSCTO-UHFFFAOYSA-N 434.931 4.850 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)nnc1-c1ccco1 485055946 AXODTGSHHRXSMY-CABCVRRESA-N 442.507 4.786 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 502664147 CYVNJTGDGVIQNO-SWTQAEKKSA-N 430.552 4.621 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)c(Br)c1O 526809281 ZDDHRXVZJVXCKK-AFPJDJCSSA-N 447.358 4.546 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 549288581 XWCNXEUJLYAFNM-RTWAWAEBSA-N 440.588 4.572 30 10 IJEE C=CC[C@H](CO)NC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 563839761 CYSVHMVFHLKMLL-OAHLLOKOSA-N 432.343 4.784 30 10 IJEE CCOC(=O)COc1cccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 609499364 ARYDOAXIANUKMD-UHFFFAOYSA-N 430.460 4.739 30 10 IJEE CCn1cc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2CCCC(C)C)cn1 726114239 WCCFCLXHTDJKIG-HXUWFJFHSA-N 441.601 4.608 30 10 IJEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 746231871 BDJXKXSNYAHNCY-CYYJNZCTSA-N 437.499 4.876 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCO[C@H](c2cccc(C#N)c2)C1 761758316 FQBXFBJRJZKOCO-IBVKSMDESA-N 425.532 4.550 30 10 IJEE C[C@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(C#N)cc1F 775558328 OKOCPFKCUUBEBG-INIZCTEOSA-N 429.451 4.545 30 10 IJEE CCc1c(Br)cc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc1Br 1126487938 AXSVPLCOTHZLJE-UHFFFAOYSA-N 433.103 4.770 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)c2cccc(Cl)c2)CCC3)nn1 1127487558 RGFPDWKDVNSWMY-UHFFFAOYSA-N 426.929 4.541 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCc2c(Br)ccc(Cl)c2C1 1127861620 VYLNVVVCPSXNND-UHFFFAOYSA-N 436.733 4.874 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1C 1143750251 JKMQMGNYFBGTGB-QGZVFWFLSA-N 425.367 4.623 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)cc1 1157327586 RWILFCYMOSFHLO-IEXUWNMDSA-N 432.564 4.652 30 10 IJEE C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1160210054 CFLQDOSNXDDJBZ-NTKDMRAZSA-N 428.573 4.998 30 10 IJEE C#C[C@H](N[C@@H]1CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1 1182043814 PAEWQCVXGPPLIS-QZWWFDLISA-N 432.280 4.623 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)cc(C)c2C)CCCC1(C)C 1196598875 CRDVQEVQPMZVRP-OAQYLSRUSA-N 435.634 4.933 30 10 IJEE CCCc1c(NC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cnn1-c1cccc(C#N)c1 1215188797 GCMOTRZJMKOBML-UHFFFAOYSA-N 444.539 4.869 30 10 IJEE C[C@@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H](c2cccc(C(F)(F)F)c2)O1 1219885686 HXDPPIVPXBDYLC-ADLMAVQZSA-N 425.357 4.849 30 10 IJEE C=CCC[C@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccc(C(F)(F)F)cc1 1222096325 RKPLCMULNYWHRR-SFHVURJKSA-N 429.446 4.997 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 1223848257 LKGCTWRXSIMLHS-MOPGFXCFSA-N 425.529 4.825 30 10 IJEE C=CCC[C@@H](NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)c1ccccc1 1230626100 XWPGSHRMBDZGRR-KZNAEPCWSA-N 441.494 4.791 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2c(OCc3ccccc3)ccc3ccccc23)C1 1255363462 KHNHSIBMLIFALQ-DEOSSOPVSA-N 441.575 4.658 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)O[C@H]2CCc3cc(Br)cnc32)cc1OC 1274606381 LOGYIKCYAGILDZ-YXOJNZSOSA-N 430.298 4.661 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Br)o1 1286316792 GNPURQFUZCVHKC-UHFFFAOYSA-N 448.752 4.789 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCS[C@H](C(C)C)C1 1286497136 NLJQGOAQVWJZAM-SFTDATJTSA-N 428.671 4.764 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C)C(C)(C)C1 1286500494 VCEZXNFKEUFOGZ-SFHVURJKSA-N 434.613 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCN1CCCC[C@@H]1CC 1286528436 ANLDRBSLSXZGAC-WNCULLNHSA-N 449.643 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(C)C)CC1 1286554424 XVNVGORDNLKZDJ-CTNGQTDRSA-N 429.996 4.847 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286589977 OAPIMMVGGJANRP-SFHVURJKSA-N 425.577 4.529 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1286640172 GYSJTTTVOKQANK-DYESRHJHSA-N 430.980 4.825 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1286678476 XPDLHBKHELUATC-YADHBBJMSA-N 437.632 4.893 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1286679583 ROSOAVBCDZUWJP-ZEQKJWHPSA-N 431.584 4.629 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1c(F)cc(F)c(F)c1F 1286680396 JAOZYGYLWSCGGK-UHFFFAOYSA-N 434.441 4.522 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1286681876 WBCMJSBMYYDUMV-FGZHOGPDSA-N 437.632 4.677 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]3CC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286692056 ZFRNVRJJYNVYKQ-ZRNYENFQSA-N 429.609 4.784 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)CCC 1286746983 CCGUERFEYFTWRS-NRFANRHFSA-N 431.993 4.799 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286770207 ANXUHUWWPHLSIB-ZWKOTPCHSA-N 449.393 4.542 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1286826288 CWTDJCUJYNZUNU-KRWDZBQOSA-N 427.574 4.789 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)c1ccccc1 1288274434 BHXSXFSQOAFMQW-HXUWFJFHSA-N 436.506 4.629 30 10 IJEE C#Cc1ccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c(Cl)c1 1289443842 VAOBLXSYVRXJGC-UHFFFAOYSA-N 435.654 4.974 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1291016402 DURXESFAGGZOGU-STSQHVNTSA-N 427.980 4.934 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2CCCc3nn[nH]c32)ccc1Oc1ccc(C(F)(F)F)cc1 1294110658 BQJHVTCJVMTQEF-MRXNPFEDSA-N 427.386 4.546 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(COC)CCC1 1300271610 INZABNPLTBUFSN-MOPGFXCFSA-N 445.007 4.963 30 10 IJEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1300357877 AKDYEMXYCCPSDD-KRWDZBQOSA-N 445.489 4.778 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccsc1 1300391834 GDEBEJNRJSSDEQ-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccn(CC)n1 1300491234 FASJMBWZCYJJQI-QHCPKHFHSA-N 444.535 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CC[C@H](C)N1CCCCC1 1300813318 FURHPTWYNBHVLF-WNCULLNHSA-N 433.644 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)[C@H](C)c1ccco1 1300893197 YDJAXJNTQBOYJA-NMMYMHLASA-N 436.556 4.671 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccccc1)C1CC1 1300930581 GREVZQRQVKARKV-UHFFFAOYSA-N 426.362 4.791 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1301047983 SWRMZHISWWNMFS-UHFFFAOYSA-N 428.005 4.626 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 1301202719 OTWLMQJBRHXSBU-GOSISDBHSA-N 432.012 4.958 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CN(C)C(C)C)CC1 1301236536 GUAVQAABFZQUOW-FGZHOGPDSA-N 431.669 4.720 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C(F)(F)F 1301410226 AJQPHUPQLWHNMC-SFHVURJKSA-N 446.473 4.677 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCCC[C@@H](SCC)C2)cc1 1301525174 HVIWMOIBDWIPGW-IFMALSPDSA-N 442.629 4.507 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2cccs2)C1 1301538667 JUHUXZJBTSCLCJ-MSOLQXFVSA-N 442.560 4.643 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1301542202 LELNHDMPGMDSNZ-CBGDNZLLSA-N 430.980 4.583 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1301618348 PUDSXKREVPTHIV-LJQANCHMSA-N 445.608 4.512 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1Br 1303065629 GUGFBBUWYGWNLK-UHFFFAOYSA-N 441.377 4.850 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1305072134 ADENPIJMNUDXJK-CABCVRRESA-N 426.446 4.514 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1OC 1308425458 ITQNHTBSNOEPAO-UWJYYQICSA-N 445.401 4.775 30 10 IJEE COc1cccc(Oc2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)nc2)c1 1355198140 DYGYVZXBUXTVGU-UHFFFAOYSA-N 441.409 4.959 30 10 IJEE C#Cc1ccc(C(=O)Oc2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)nc1 1355722313 LFHWZEMNZFFTMX-UHFFFAOYSA-N 446.260 4.762 30 10 IJEE CC(C)(C)c1ccc(CSCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 1356603655 FFUHWZCXKRKUJD-UHFFFAOYSA-N 437.609 4.990 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 1357251531 BSUIKRFXHSAMFA-UHFFFAOYSA-N 439.302 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCOCC(C)C 1359068137 PKQVYPUNFVDNGM-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCSCC(C)C)CC1 1359172930 NWWIBLMDGAYCIR-UHFFFAOYSA-N 441.645 4.939 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1359195466 MYROUDYKXLWYEP-BJKOFHAPSA-N 431.584 4.629 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCCC1(C)C 1359258287 LVJQRNGNLDVPGR-AREMUKBSSA-N 431.584 4.782 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1ncc(CC)s1 1359259479 XEZOFGUCIKXUES-UHFFFAOYSA-N 430.581 4.524 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F 1359275476 VEDYMVRLRJGDOC-SFTDATJTSA-N 430.543 4.843 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 1435620613 JHWQQNZPKJPBOB-HSZRJFAPSA-N 426.582 4.689 30 10 IJEE Cc1nc(SCC(=O)N[C@H](COc2ccccc2)c2ccccc2)c(C#N)c(C)c1C 1456160527 ASORVDIOSBCAST-HSZRJFAPSA-N 431.561 4.907 30 10 IJEE COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1460171789 CUGUPNZDIXYVQH-UXHICEINSA-N 432.442 4.643 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cnn(-c3cccc(C)c3)c2C)nnc1-c1ccco1 1461102089 XWZJHIBAXVTQDV-UHFFFAOYSA-N 448.552 4.648 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1461529152 KLPRWSCVYAXJLP-ZCGUVRMYSA-N 434.652 4.981 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1467970052 RGPYAVYVUHDLCU-UHFFFAOYSA-N 433.327 4.834 30 10 IJEE C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1468188303 BDIBWOBQLXJGIZ-SFHVURJKSA-N 445.567 4.523 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1469928231 ZUQGXOWEDRPETB-WOJBJXKFSA-N 432.564 4.976 30 10 IJEE C=CCCC(C)(C)NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1470442642 SHWLEPUKSCUBAV-OAHLLOKOSA-N 428.495 4.791 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccc(OC)cc1 1472921617 UEQZGBPTVBMLNP-IBGZPJMESA-N 443.956 4.670 30 10 IJEE Cc1cccc(O[C@H](C)C(=O)N2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)c1 1473162862 IFJYUXOGGFLJIG-JOCHJYFZSA-N 439.559 4.645 30 10 IJEE CCc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1sc3ccc(C#N)cc3c1C)CCC2 1475078624 FNXYDGTYOUCOAG-MRXNPFEDSA-N 431.608 4.798 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)cc1 1476150244 DMMZMFZEGWBEOD-UHFFFAOYSA-N 437.849 4.725 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1507540846 IUGYPBJUIREUNS-KRWDZBQOSA-N 446.624 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC[C@@H]1CC 1507546726 LEXBVNBLFKQGBP-ICSRJNTNSA-N 446.064 4.946 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C/C=C/c1ccccc1 1507645084 SVROJUUJFVDCEI-RGFVMQALSA-N 426.589 4.918 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1507756561 WHWMIFUGAOHTAR-UHFFFAOYSA-N 444.689 4.941 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(C)C)C1 1507839234 PXJUYSAXUVDIDV-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507870117 DTOCMPGPPOIUFK-VQTJNVASSA-N 446.039 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN(CC)CC)C1 1507911842 PKKRZSYIWOORSE-GOSISDBHSA-N 431.028 4.764 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1507932881 BQBFLWXHYGVPDZ-QAPCUYQASA-N 426.458 4.520 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1507934983 LKJIZFVDVJAVSJ-JXFKEZNVSA-N 434.943 4.509 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(Cn2cncn2)CC1 1507943717 GMRHKKDUIHHLIN-UHFFFAOYSA-N 433.604 4.717 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CC=CCC1 1507945434 GKCFAOCRYIVCJE-FQEVSTJZSA-N 446.599 4.995 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)N(C)C 1508019592 HANBADAKRWIQEP-XPWALMASSA-N 437.632 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1sccc1Br 1508021379 NFLXMQXJOQHZKN-UHFFFAOYSA-N 435.416 4.981 30 10 IJEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCC)Cc1ccc(F)cc1C 1508060812 FYMKITIJMVSRCE-UHFFFAOYSA-N 449.578 4.502 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1508066348 PCMGGFZNLLEIID-UHFFFAOYSA-N 425.646 4.766 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1508153513 ZWYMGORLEDYVBO-VGOFRKELSA-N 435.037 4.548 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)(C)C)CC1)SC 1513257670 IBDVKWJYEOXPMC-UHFFFAOYSA-N 440.661 4.659 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CCCC1 1513622501 GEFPFHZCWFLXJW-IBGZPJMESA-N 437.588 4.703 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)COC)CCS1 1514137276 FNQDFYAFZNUTNW-HXUWFJFHSA-N 427.618 4.601 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 1515597455 GBOOBRRBJUSZQH-VBKZILBWSA-N 445.441 4.512 30 10 IJEE COCC(C)(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](F)(C#N)C1 1518666770 BRBJBLDYVLKDFG-NRFANRHFSA-N 437.922 4.632 30 10 IJEE C#CCOc1ccc(COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 1521612560 UJLLVFKBGYNBTN-DHLKQENFSA-N 445.540 4.906 30 10 IJEE C=CC[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 1523114286 GTPMCVKVGBLDDL-SFHVURJKSA-N 433.430 4.622 30 10 IJEE C=C(C)[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)c1ccc(F)c(F)c1 1523232750 OQRBYYUIEYABLV-AUUYWEPGSA-N 435.268 4.587 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Oc1cc(/C=C\C(=O)OC)ccc1OC 1525289294 QIIHAODBUKIHFA-POHAHGRESA-N 436.382 4.684 30 10 IJEE COc1cc(Br)c(Cl)cc1C(=O)Nc1ccc(Br)c(C#N)c1 1527158395 HRDRLFLIJVWCSQ-UHFFFAOYSA-N 444.510 4.998 30 10 IJEE CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C1CC1 1529823872 DABCGZBMLVUENU-UHFFFAOYSA-N 435.524 4.865 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CSc3ccccc3O2)s1 1530287842 GCIQHBIYBRLGHI-CYBMUJFWSA-N 427.016 4.508 30 10 IJEE C#CCN(CC)C(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1534876522 FZQRWWVMBRTIHL-UHFFFAOYSA-N 448.588 4.524 30 10 IJEE COC(=O)c1ncoc1CCC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1536521449 BJKJCVHZKGEHGD-UHFFFAOYSA-N 441.896 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](CC(C)C)N(C)C 1538977002 RQVFIUYKYGTAPY-GBXCKJPGSA-N 446.643 4.787 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccco1 1539049301 KGOZRMNACRCORR-OAHLLOKOSA-N 430.350 4.640 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1539066600 XQOPJBFUELSJDL-HXUWFJFHSA-N 443.389 4.690 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)c1ccsc1 1539305785 OWJQSYPGVSPTAU-SANMLTNESA-N 446.620 4.675 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(C)(F)F)cc1 1539383490 DDWJHSWEJYBBRK-WOJBJXKFSA-N 430.543 4.816 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)OC(C)(C)C1 1539499132 FGOSRNURJOVSNL-QGZVFWFLSA-N 444.670 4.646 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Cl)s1 1539602961 FMQVBWYXIDQBMR-UHFFFAOYSA-N 438.782 4.524 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2[C@@H]2C[C@H]2CF)CC1 1539897532 GEQCOJZETJSVCS-MAUKXSAKSA-N 435.341 4.553 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1539948213 VFTMVZCMQSXEHQ-OALUTQOASA-N 427.618 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1cccnc1Oc1cccc(F)c1 1540160812 BLQKYZOJALTMQS-UHFFFAOYSA-N 442.498 4.893 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCc2nccn2C1 1540176629 FJWMHUGTYGWLLC-FQEVSTJZSA-N 434.613 4.516 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1)SC 1545772475 BMRCFOVMIWVIDF-FQEVSTJZSA-N 427.618 4.744 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O 1556994603 IFQZNKWZURZTTN-OAHLLOKOSA-N 445.744 4.861 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)C1 1562623994 WFTDOEOCXYEXLV-MRXNPFEDSA-N 440.956 4.961 30 10 IJEE N#Cc1sc(NC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)nc1Cl 1562924538 FVIQREGBRUVUFO-CYBMUJFWSA-N 439.766 4.964 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)cc2n1 1563302058 SOPLDBSWKUNOLG-IYARVYRRSA-N 441.576 4.675 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 1564912948 DPUMOIRQWMGOFJ-RBBKRZOGSA-N 438.547 4.556 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2ccc(Br)cc2C1)c1ccc(Br)cc1 1564998904 FCIJEAPWDCGQJC-QGZVFWFLSA-N 434.131 4.611 30 10 IJEE Cc1cc(Br)c(F)cc1NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1585576693 APADZMGJNIAMPG-HNNXBMFYSA-N 442.329 4.812 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1[C@H](/C=C(\Cl)c2ccc(Cl)cc2)C1(C)C 1586782161 BZZZKSKZDQHJAG-IQEDVODTSA-N 436.379 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCSc1ccc(C)cc1 1587574724 KZMDJTZHDHZLFA-OAHLLOKOSA-N 444.402 4.594 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](c2ccco2)C1 1588984223 GQHCFSBLQSJXLK-ZWKOTPCHSA-N 440.544 4.511 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1589078372 MZJKORCOSKTIHD-HXUWFJFHSA-N 442.629 4.592 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 1589515807 SGEGOXDZUIVQPV-ZWOKBUDYSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC(C)(C)C1 1589516347 ZXLQTFAEFHFQHV-XMSQKQJNSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(N2CCCCC2)c1 1589609373 VZTYRFMEOFQFSJ-UHFFFAOYSA-N 446.599 4.790 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(CC)CCC2)CC1 1594036486 UYTZZVSWBHVEGN-UHFFFAOYSA-N 426.561 4.708 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)CC1 1594102147 AORDLNNCZHZXIP-UHFFFAOYSA-N 439.535 4.516 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cn(CCCC)nc2C)CC1 1594127753 FHVXKRDQJKWOPU-UHFFFAOYSA-N 438.551 4.506 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)Cc2cccs2)CC1 1594127819 GDEPQDYLRVBDJM-LJQANCHMSA-N 438.597 4.962 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCC(OC)CC2)CC1 1594218887 XBQIMIUJTOAFIU-UHFFFAOYSA-N 437.632 4.545 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)CC1 1594720282 HPRNTQOYUGVHSV-IBGZPJMESA-N 434.588 4.658 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OC(C)(C)C)C1 1594798053 NMQHJHPOWFDFRP-SFHVURJKSA-N 432.996 4.975 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccccc1 1595140912 AICXMQCPNLSJMO-DEOSSOPVSA-N 438.597 4.621 30 10 IJEE Cc1ccsc1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1611884323 CRNOARMUKUBHIE-UHFFFAOYSA-N 448.640 4.873 30 10 IJEE C[C@H]1CCCC[C@@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1612758061 FMTCIKSUNCVWHY-PXNSSMCTSA-N 429.515 4.648 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCCOc3cc(Cl)cc(Cl)c3)nnc12 1613157706 TVOFAWCPAXPWOD-UHFFFAOYSA-N 447.347 4.708 30 10 IJEE N#CC1(C(=O)c2ccccc2)[C@H](c2ccc(F)cc2)NC(=S)N[C@H]1c1ccc(F)cc1 1614015163 UMKIANLKPSQYQU-SFTDATJTSA-N 433.483 4.618 30 10 IJEE C#C[C@H](NCc1ccc(I)cc1)c1ccc(Br)cc1 1621357075 QSTXGKKOTVRWRL-INIZCTEOSA-N 426.095 4.518 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)C1 1623274618 MWDAHJVPJSHTBT-SFHVURJKSA-N 439.581 4.626 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1 1627436554 YOGJJYQEZIIXAH-DFXYEROKSA-N 436.499 4.681 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCO[C@H]1CCCc2ccccc21 1629298103 FRVMUEHHTBFHKK-PMACEKPBSA-N 436.980 4.623 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(OCCc4ccccc4)c3)n[nH]2)c1C 1634016658 AXPZKSQKEYZZAH-UHFFFAOYSA-N 441.535 4.950 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)OCC)s2)cc1OC 1638119800 LHZLDYWHBNNPAT-UHFFFAOYSA-N 438.505 4.813 30 10 IJEE COc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccc1OCCN(C)C 1638243348 DEZCGJBLRRVZPB-UHFFFAOYSA-N 430.508 4.503 30 10 IJEE C=CCn1c(SCc2nc(CC(C)C)no2)nc2sc3c(c2c1=O)CCCCC3 1643347688 VUNPFNBMCSANTD-UHFFFAOYSA-N 430.599 4.787 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(c2nc3c(s2)CCCC3)CC1 1643507728 BBMVPVNMWIXWRR-CQSZACIVSA-N 428.989 4.754 30 10 IJEE C=CCC[C@H](C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)c1ccccc1 1643713555 MAOFQWDEWHAQIB-SFHVURJKSA-N 441.597 4.803 30 10 IJEE C#CCN(CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)[C@H]1CCCc2ccccc21 1655692557 NPMADYVXHWRLOX-VGSWGCGISA-N 430.470 4.775 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN(C)Cc3cc(-c4ccccc4)n[nH]3)c2C#N)C1 1656436038 BLZFFWXDMMABQO-INIZCTEOSA-N 433.581 4.595 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCN(c2sccc2C#N)C1=O 1658625984 BNBGXKJSAJZHJY-HNNXBMFYSA-N 447.404 4.895 30 10 IJEE CCOc1ccc([C@H](NS(=O)(=O)c2ccc(CC#N)cc2)c2cccc(Cl)c2)cc1 1662368087 GHTAOEBVTARKEA-QHCPKHFHSA-N 440.952 4.873 30 10 IJEE CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1cc(F)cc(Br)c1 1663440708 AYULJLWQCQKHMC-HNNXBMFYSA-N 431.714 4.543 30 10 IJEE C=C(C)CN(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1666829423 DJTXPFPQWQLNHD-UHFFFAOYSA-N 443.569 4.693 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 1667785585 DQYPEBBWEBIJCB-UHFFFAOYSA-N 433.430 4.950 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Sc3ccc(OC)cc3)c(Cl)c2)C1 1667882904 HXQUVMMADQOJSP-QGZVFWFLSA-N 429.973 4.719 30 10 IJEE C[C@@H](CN(C)C)[C@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1668146061 BAINLLBIGFTXQC-FDDCHVKYSA-N 438.547 4.860 30 10 IJEE CC(C)[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1Cc1ccccc1 1668913173 CHWBROIWUMMDBO-NRFANRHFSA-N 430.474 4.951 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 1669604524 AHAGVYKIXDHDKF-UHFFFAOYSA-N 448.473 4.770 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(Cc2ccccc2Br)cs1)c1ccccc1 1670162727 GHXULAKCNULDTO-GOSISDBHSA-N 426.339 4.992 30 10 IJEE C#CCN(C(=O)NCc1cccc(COCC(F)(F)F)c1)[C@H]1CCCc2ccccc21 1670836626 QLJJOICNARWLNT-QFIPXVFZSA-N 430.470 4.988 30 10 IJEE Cc1ccc(Br)cc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1675691793 DEZXMJYQOYUJNL-UHFFFAOYSA-N 444.720 4.790 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1676479803 FOWPVIRSZIWPCQ-DEOSSOPVSA-N 430.504 4.821 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C 1678355863 GXSGXRUWWSUAKZ-MRXNPFEDSA-N 441.366 4.892 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1679780014 ODVGUQONAHJQKL-MQNAVGNWSA-N 444.572 4.753 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1cc(C)c(OCc2ccccc2C)c(C)c1)[C@H]1CCCO1 1680313829 BCJTVGIDSFPPNF-LOSJGSFVSA-N 434.580 4.903 30 10 IJEE C=C[C@H](COC)NC(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1680390537 YSCBJLWYIVJKBN-MRXNPFEDSA-N 437.309 4.723 30 10 IJEE C=C(C)[C@H](NC(=O)NCCc1cc2ccc(C(=O)OC)cc2o1)c1ccc(F)c(F)c1 1681783126 DKXXUMTVGYLNIM-NRFANRHFSA-N 428.435 4.657 30 10 IJEE CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1683424603 GJPJRMMAGFYAQY-HXUWFJFHSA-N 449.942 4.860 30 10 IJEE Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1686295297 IDVALLAIFNXHKD-JOCHJYFZSA-N 444.501 4.824 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC)[C@@H](C)C1 1689880117 RIFVAUOCSPSTBW-IBGZPJMESA-N 425.646 4.609 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1690066178 AOXNJJWQIKBPEL-PMACEKPBSA-N 428.024 4.816 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1690085877 IIUZDVMXTHMTCX-UHFFFAOYSA-N 446.064 4.948 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1690161324 ARERDLJZAOJSQO-VXKWHMMOSA-N 438.641 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC(CC)(CC)SC 1690214463 KTNGLGMOWMHKFE-HSZRJFAPSA-N 442.629 4.780 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCN(CC)C2)CC1 1690404804 SAKHIAHWTXJLQL-KRWDZBQOSA-N 434.415 4.996 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690454200 XUWUDLYTELYKDH-QHCPKHFHSA-N 430.980 4.729 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1C[C@H](F)c1ccc(Br)cc1)C1CC1 1690542518 RRQHNRSPXYHITP-IBGZPJMESA-N 442.336 4.968 30 10 IJEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC2CC2)CC1 1693935522 BXKSCLFMVZRYIL-UHFFFAOYSA-N 437.588 4.560 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705515453 DUODAXYPBIOHQF-QUCCMNQESA-N 427.618 4.726 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncc(CC)s1 1705541718 PMYUFXZGHWSOKL-MRXNPFEDSA-N 444.004 4.825 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@H]1CCOC1 1705590168 DGRMSSIOMRNMFV-KRWDZBQOSA-N 438.984 4.703 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCCCC1 1705605114 BGLDDKLHLRTNEI-UHFFFAOYSA-N 435.597 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCc1scnc1C 1705677122 BVYSMPSBEXMMAV-JOCHJYFZSA-N 441.988 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1nc2cc(Cl)ccc2s1 1705717303 HGKZRAQYOISNIV-OAHLLOKOSA-N 431.993 4.886 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1705722928 PGYKBRVOORRDFB-IEBWSBKVSA-N 426.561 4.706 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(=O)C(C)C)CC1 1705764936 SUXDQNHPPGUNCQ-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cnn(C)c2C)CC1 1705777966 WDASVPQDNKQUNB-UHFFFAOYSA-N 431.371 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1705793531 AXZCRNDBGMSBPJ-UHFFFAOYSA-N 426.568 4.907 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1705811910 NATFRZVALBEIGC-SFHVURJKSA-N 444.551 4.645 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705812102 QZGIPNFGBHZMPR-BJKOFHAPSA-N 448.615 4.505 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1CCC(OC)CC1 1705857679 ZOXDQTQYEPTTDH-UHFFFAOYSA-N 447.583 4.747 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 1705909934 MIFRNHPCXZSKID-QHCPKHFHSA-N 447.583 4.737 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCCc1nc2c(s1)CCCC2 1706407672 CSICDDRGCWDAEE-HSZRJFAPSA-N 426.634 4.575 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nccs1 1706917728 BKUIUSHQPIOBHB-BTYIYWSLSA-N 442.976 4.706 30 10 IJEE C[C@H]1C[C@H](C)CN(CCCn2c(CCCc3ccccc3)nnc2N2CCC(C#N)CC2)C1 1707974370 GLGVAAVMOGJIGD-GOTSBHOMSA-N 448.659 4.561 30 10 IJEE CCC(CC)(Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)OC 1708679794 BRQYBVZYTUPGKL-UHFFFAOYSA-N 434.588 4.685 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722388294 SJXMIUDLZFOIJX-FCGDIQPGSA-N 436.522 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(CC)c1 1722499680 DKMIIBNBYBQAEF-KRWDZBQOSA-N 428.968 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NCCC)CC1 1722592015 UELQLWKFZYHREA-UHFFFAOYSA-N 448.615 4.771 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722605760 QWDBUFJWMKKGPD-NRFANRHFSA-N 428.543 4.897 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1Cc1cn2ccc(C)cc2n1 1722692908 WQNMIAUSOZSPAT-UHFFFAOYSA-N 428.584 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(COC)CCCCC1 1740541652 DMLLKYQQSUIASE-KRWDZBQOSA-N 430.980 4.662 30 10 IJEE C#CCCCCn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740580065 REIADPQRXLGGPD-KDURUIRLSA-N 446.542 4.787 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN(C)C1CCCCC1 1740601439 VRXXMIATVROFPG-LJQANCHMSA-N 444.023 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](CC=C)c1ccccc1 1740726398 ZETZXDYCSYEPLC-XSBVVTFOSA-N 448.611 4.671 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCCO1 1740785516 KPDHBMIYSLUTTH-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1)c1ccccc1 1740856408 SPFNJLSLNMUJHQ-YADHBBJMSA-N 437.588 4.620 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1 1740864448 NAMAIUQUYKGFQQ-GPJFCIFZSA-N 449.615 4.933 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@H]1CCCCO1 1740894671 CLZDOTBVIXRDAO-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC[C@H](C)C1 1740940207 XBIJZDOLGAWZJW-IBGZPJMESA-N 446.039 4.748 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ncc(C)s2)CC1 1741001262 PFMOBOFCNVEZDZ-SFHVURJKSA-N 433.647 4.588 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1748758150 TXWVWOHESBBVKN-NRFANRHFSA-N 434.609 4.758 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCCc1nc(C)cs1 1748887147 VSCBYNRCQGKWKB-UHFFFAOYSA-N 442.592 4.677 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](SCC)C1 1749127398 LLHILWYXHULFSO-SJBKTWHCSA-N 441.645 4.742 30 10 IJEE C=C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCNC(=O)OC(C)(C)C)CC1 1749293413 MNIRXYFIZGMJLQ-UHFFFAOYSA-N 437.544 4.763 30 10 IJEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[C@@H](OC)C(CC)CC)CC1 1749303411 JUHPURDCFHPABO-OFNKIYASSA-N 440.588 4.788 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[C@H]2C)CC1 1749331306 XISAOUDXIIZFEL-IEBWSBKVSA-N 440.588 4.810 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)COCc2ccccc2)CC1 1749343967 WPMNQIHBFITAST-OAQYLSRUSA-N 431.584 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1749363394 CAALSZFREBZPDN-IBGZPJMESA-N 448.615 4.760 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1749438650 ZNEHEMSMDPJTRH-NRFANRHFSA-N 449.603 4.554 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC[C@H]1CCO[C@@H](C)C1 1749544562 JOQOEULZESICOA-SFTDATJTSA-N 449.574 4.801 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(OCC(F)(F)F)c1 1750468263 FQMBYUUUGSDKIC-QFIPXVFZSA-N 449.521 4.986 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC1CCC(C(F)(F)F)CC1 1760221237 OOSLQHYDJGJNQY-UHFFFAOYSA-N 434.531 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(COC)CCCCC1 1760331893 PTZFIUBECXWWFZ-UHFFFAOYSA-N 426.561 4.673 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC)(CC)C1 1760350770 SCBCBCUHQGXOJS-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](SC)C1 1760352075 OBGNUTYYJKPWOX-WIYYLYMNSA-N 448.608 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760410574 JJVBVMNVQHRTIS-SFTDATJTSA-N 447.631 4.652 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCCCC2)CC1 1760426997 KVVQNLFXOPMMLC-UHFFFAOYSA-N 437.632 4.689 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1 1760443287 RGXGFNZGHYGZBG-UHFFFAOYSA-N 435.547 4.611 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCOC[C@@H]1C 1760477664 HMKINAPDNXDKET-GHTZIAJQSA-N 436.556 4.720 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1760564435 ZJDGVJRGDNAZQR-FQEVSTJZSA-N 435.597 4.570 30 10 IJEE CCN(CC(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc2c(n1)CCCC2 1766539898 GZIRVLGEICZBIT-UHFFFAOYSA-N 444.583 4.533 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2occc2C)cc1 1767576938 BBCJTEMVKYNYNG-IBGZPJMESA-N 449.555 4.897 30 10 IJEE CC[C@@H](Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3O)N(CC)C2=O)cc1)C(=O)O 1772763880 YWQACMVOPZYELC-YSZGWNRASA-N 440.521 4.567 30 10 IJEE CCCCCCCCn1cc(O[C@H](CC)C(=O)OC2CCCCC2)c(=O)cc1C(=O)O 1857890871 HMWIVXPZJFTCCJ-OAQYLSRUSA-N 435.561 4.940 30 10 IJEE Cc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)ccc1Br 1858437608 HMCLAHNDRIYNDD-UHFFFAOYSA-N 443.326 4.569 30 10 IJEE COc1ccc(CC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)c(OC)c1 1860460684 RZSULJNOAARLFA-UHFFFAOYSA-N 449.894 4.662 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862404491 SZALYJHXGPXLKS-OAQYLSRUSA-N 438.480 4.680 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1C 1862489781 GQXUQCTWJPRUDV-XMMPIXPASA-N 434.580 4.922 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)cc1OC 1862509427 HLIFNAWAUAAXIS-OAQYLSRUSA-N 427.472 4.528 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862565100 PFUVLAFBZMHPMG-IBGZPJMESA-N 449.334 4.581 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862580144 YLIDCNBOYHQQTH-IBGZPJMESA-N 449.425 4.711 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862589226 HFWYXXUXHRCKBK-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(O)c2)cc1 1862686904 FIBDSOLXUJANQG-HSZRJFAPSA-N 433.504 4.870 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(O)c1 1862725431 JBLHPPVIUVTWIW-QHCPKHFHSA-N 429.472 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1862735036 AHZCREAAUHSISD-IBGZPJMESA-N 438.436 4.574 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862760399 NLVSUOCALIEKAR-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE COc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961948 PVVPBXVFJXNJKM-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862980731 DCZFDFQYOBQHRG-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863129305 HJBDYNCHBONOKQ-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863253664 SOBNPXCSKPOYMP-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccccc1C#N 1866658207 MZAULKWMPNJPGV-NRFANRHFSA-N 448.498 4.517 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870140238 GMBMCZMFLPYDTE-UHFFFAOYSA-N 444.583 4.674 30 10 IJEE C=CCOc1cn(C[C@H]2CCCO2)c(CSc2nc3ccccc3n2CCC)cc1=O 1870244342 KPKOPSPVOHCYOR-LJQANCHMSA-N 439.581 4.644 30 10 IJEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CSc1ccccc1 1870263270 YRMNOWYLQLUECA-UHFFFAOYSA-N 444.560 4.545 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCOCC2)cc1=O 1870414705 WXSYMRLVTVGNCR-UHFFFAOYSA-N 432.992 4.731 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN(CC)CCc1ccncc1 1870439300 VWTDMMCEVQRWPO-UHFFFAOYSA-N 437.971 4.726 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CNc1ccccc1C 1871162462 XNKNEBSLYFHKCW-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CNc1ccc(F)cc1 1871172182 KYSQYGDYMGHAKZ-UHFFFAOYSA-N 449.526 4.926 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 1871421043 RRFHVQBGCRSILQ-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871972113 CPJGSSCVNBMMNE-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1872245009 NAQQDYMJQSMRNN-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 1872400682 XHXVBPVHEILRHM-HSZRJFAPSA-N 443.613 4.517 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872403962 ZFTQUMILTVZBRF-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE COc1ccc(OCCCc2nnc(SC)n2/N=C/c2c(F)cccc2Cl)cc1 1874219865 IHUZQEMDBGRRLV-YDZHTSKRSA-N 434.924 4.695 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874257506 DIOZYKDLZWPHGN-HYARGMPZSA-N 425.514 4.712 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874264707 LQYHLMYTOIQROC-CIAFOILYSA-N 429.889 4.579 30 10 IJEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccnc2)c1 1874344371 KAYXYPDSCHMNSV-WGOQTCKBSA-N 433.512 4.608 30 10 IJEE Oc1nc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)nc2ccccc12 1874424005 PHXIWMZIWZTNHR-YDZHTSKRSA-N 444.545 4.830 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874439846 WABUSVCEXXNJRM-ZVHZXABRSA-N 448.036 4.943 30 10 IJEE Cc1cccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874483753 LOSCGVYNYVWTJF-WSDLNYQXSA-N 425.514 4.672 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cccc(Cl)c1 1874524199 BQTNJGJARQBFFB-FSJBWODESA-N 427.961 4.724 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874532860 GFLCUCXJHGTHSD-SRZZPIQSSA-N 428.389 4.516 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)c(F)c1 1875117412 DRSMTEYSVWKICY-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(Br)cc3F)n[nH]2)c1C 1889739321 SUNXENMIRQJTIT-UHFFFAOYSA-N 432.297 4.620 30 10 IJEE CN(CC1CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)CC1)c1ncccc1C#N 1891205081 GWKIEXLLTNCCCA-UHFFFAOYSA-N 428.511 4.748 30 10 IJEE N#Cc1ncccc1OCC1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 1891577957 OKHSYLWSAATNJE-UHFFFAOYSA-N 442.906 4.906 30 10 IJEE FC(F)(F)[C@H]1CCSC(=NCc2scc(Br)c2Br)N1 1918517168 GORPYTIYPXYYMR-SSDOTTSWSA-N 438.132 4.787 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)C(F)(F)CC1 1965668321 PDGPYIBYUXHAPE-HNNXBMFYSA-N 448.283 4.907 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035458042 GOFPWKXZQIBAKP-RPBOFIJWSA-N 436.596 4.907 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1 2079002927 RAIULDYIHRIEEZ-PGNNWUFWSA-N 435.309 4.871 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(N)=O)c1Br 2080054627 SPWPPSFVRVMELH-YFKPBYRVSA-N 448.136 4.531 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(Cc2ccc(C(F)(F)F)cc2F)c1Br 2080183853 BUIYYBGROVGMGN-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1cc(Br)cc(F)c1C#N 2107438639 NXHSMKKWTLSERP-LRDDRELGSA-N 426.330 4.907 30 10 IJEE C[C@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2118201432 QAEJMBVMOROOAR-STQMWFEESA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(C#N)cc2Br)s1 2124684964 FOEKJJUDBKCBPZ-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 2181104714 CJJKOIVNOWUPNO-INIZCTEOSA-N 436.350 4.590 30 10 IJEE C#CC[C@@H](C)C[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2196838222 XHBIRLHILUGNIZ-NSISKUIASA-N 437.422 4.913 30 10 IJEE CCCc1ccc(C#C[C@@H](O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2231181188 RPUUTXIWDPPBSN-NAKRPHOHSA-N 448.607 4.521 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)c2cc(Cl)sc2Cl)s1 2237725372 ROGZJHVHUVISJZ-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE Cc1cc(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(C)c1C#N 2254635264 MECSZFVPLPWCHB-NRFANRHFSA-N 437.540 4.614 30 10 IJEE CC1(C)CCN(Cc2ccccc2)CCN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255535235 RMVSRBATWSEAJQ-UHFFFAOYSA-N 426.410 4.516 30 10 IJEE CN(Cc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1)C(=O)OC(C)(C)C 2255816344 CVJHGFFCTJLDIW-UHFFFAOYSA-N 430.354 4.618 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](N)(C#Cc3cccc(Br)c3)C[C@H]21 2296226699 HXZOSSAKPGEJGM-SFGWALBWSA-N 433.390 4.698 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 2296291532 POJMJGPPBCJVGX-QRVBRYPASA-N 439.369 4.516 30 10 IJEE CCS[C@H](C)C[C@@H]1CC(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)[C@H]1C(=O)OC 2297624149 KGOWJVJUFBNYEV-FMTVUPSXSA-N 444.380 4.768 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2302496941 SFIILGOQRGXGSS-TZQQIIETSA-N 434.541 4.606 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2305318891 HXDGERGABWNEQT-STWLZBDKSA-N 428.573 4.555 30 10 IJEE CCn1cc(C=C2Oc3c(ccc4c3CN(C[C@H]3CCCO3)CO4)C2=O)c2ccccc21 2321961804 WJWQMCRJLNTNPH-GOSISDBHSA-N 430.504 4.608 30 10 IJEE Cc1c(OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccccc1)C2=O 2322975136 HNCQYUBJCCBMDZ-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1OC(=Cc1ccccn1)C2=O 2323933771 XRCGSHLZZMRYII-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE O=C1C(=Cc2ccccc2)Oc2c1ccc(O)c2CN1CCN(c2cccc(Cl)c2)CC1 2324102893 DQVOOXDJXSQAGY-UHFFFAOYSA-N 446.934 4.984 30 10 IJEE CCN1CCN(Cc2c(O)cc(C)c3c2OC(=Cc2ccc(Cl)cc2Cl)C3=O)CC1 2324124730 APXQWMGOWNUEKV-UHFFFAOYSA-N 447.362 4.761 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c(OC)c1 2324464518 AKLAGOZNFWJYIN-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOc1c(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cccc1OC 2330954979 VOTSBBMZXCAWEK-FQEVSTJZSA-N 438.553 4.711 30 10 IJEE CC(C)c1nnc(SCCO)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331711502 RTZAQSCXPJJBJU-UHFFFAOYSA-N 430.961 4.601 30 10 IJEE C=CCN(CC[C@@H](NCC)c1cc(Br)ccc1OC)C(=O)OC(C)(C)C 2339201280 XCEVPRMGFCLJQW-QGZVFWFLSA-N 427.383 4.922 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@H](C)c2cscc2Br)n1 2362087556 MVGJEKCHQIZZCX-CYBMUJFWSA-N 437.212 4.711 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2365059097 LCTCRNSSSSDXLO-DNQXCXABSA-N 445.416 4.685 30 10 IJEE Cc1cc(CN2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369725828 ZZYLJNFFBHPDCM-PLQXJYEYSA-N 446.444 4.533 30 10 IJEE CC1(C)C[C@@](Nc2cc(Br)ccc2C#N)(C(=O)O)[C@H]1OCc1ccccc1 2374929322 DMGXSTMGZBLNLX-RXVVDRJESA-N 429.314 4.571 30 10 IJEE CC1(C)OB(c2ccc(COc3ccc(F)c(F)c3)cc2Br)OC1(C)C 2377326257 HGBFZIHHHFHRCV-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1ccccc1 18245029 MALMIZXXKOVMEI-UHFFFAOYSA-N 445.519 4.836 30 10 IJEE Cc1csc2c(N/N=C/c3cc(Br)cc(Br)c3O)ncnc12 20615377 XZQNJVNYDNURJC-RMOCHZDMSA-N 442.136 4.676 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccc(C(C)(C)C)cc1 24176470 IUYHIYQJAYADPU-UHFFFAOYSA-N 427.599 4.924 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 33497523 JGVPESMTQHNGMM-AUWJEWJLSA-N 448.471 4.836 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2ccco2)c1 35567673 JVOXSOGHLTZRFV-IBGZPJMESA-N 438.505 4.530 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 62897642 RRYSHPRICHGTBN-SFHVURJKSA-N 436.537 4.636 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2cccs2)c1 169988530 ZXXXJIHFFWXXPC-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2F)cc1 170069609 KYWZZTGBDSXMLB-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 170080291 JGTQIKUZNZRIRT-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccc(C)o2)cc1 170102565 JYWFZAFRIPUENW-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccccc1OC 170125796 JPNXLJBZZIWLMO-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccs1 170163949 NAVPLNKLJHXWOH-HXUWFJFHSA-N 427.522 4.676 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)c1C 170187930 XJOXBOWXFHDOLY-VOIUYBSRSA-N 440.499 4.805 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)ccc1Cl 170194053 BNZORKOBYQHVMF-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccncc2)cc1 170201288 WZHLEZUXQNXMFD-QHCPKHFHSA-N 428.488 4.744 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)c(C)c1 170202532 DSMOPZLRJLKQPP-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccco2)cc1 170291362 CRIFAYZQORFSKQ-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccs2)cc1OC 170411670 SXIOCJVRNJYTRT-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE CCCCCCOc1ccc(OCCn2cc(C=NNC(N)=S)c3ccccc32)cc1 254394589 DOJDDVHDXVTLBV-UHFFFAOYSA-N 438.597 4.847 30 10 IJEE C=C(COC(C)C)[C@H](NCC)c1cc(Br)ccc1I 387626457 SDNIFVHCQLUCET-HNNXBMFYSA-N 438.147 4.686 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1F 481344509 HYHDVXVAYVWONF-KRWDZBQOSA-N 440.544 4.918 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](c2ccccc2)c2ccco2)nnc1-c1ccco1 486885447 KKFALGRNUXUNHE-NRFANRHFSA-N 434.521 4.705 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc([C@H](C)OC)nc1C 487758110 WWZPITZXKDVIJR-LBPRGKRZSA-N 427.339 4.889 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 504463517 YUZAJQPXTITZMV-DEOSSOPVSA-N 438.531 4.536 30 10 IJEE C[C@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1-c1ccc(Cl)cc1 506436400 FIHPIAAPRYQKQX-KRWDZBQOSA-N 431.923 4.714 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 519788459 IRQCJZZXRLBIAN-HSZRJFAPSA-N 448.567 4.617 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 555240212 DUVYIIQNIVWLEL-WUEDSLEZSA-N 447.627 4.553 30 10 IJEE N#Cc1ccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(F)c1 585746703 SURBISSVKPCITE-FQEVSTJZSA-N 435.421 4.683 30 10 IJEE C[C@H](NCc1cccc(COCc2ccco2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 609574338 FVKJWZWKEGCGPG-INIZCTEOSA-N 435.549 4.535 30 10 IJEE CC[C@@H]1CC[C@H](C#N)[C@@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 700342177 BDPQMMPMTMCCPD-JXLUEJIVSA-N 432.520 4.944 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(C2CC2)C(=S)N[C@@H]1c1ccc(O[C@@H](C)C#N)cc1 731432718 LJINPUIHKHRNGN-QMHKHESXSA-N 431.561 4.680 30 10 IJEE CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 732877784 HYPRFAAZNKJDIY-XUZZJYLKSA-N 442.494 4.750 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(C)c(C)c1 742211884 BZYSPNDJOMNIAP-QFIPXVFZSA-N 444.560 4.549 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 743092762 CNQKJILCKDPVCD-YADHBBJMSA-N 434.540 4.863 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)cc1 776963116 ZBFBIMOQMOYXGD-UHFFFAOYSA-N 436.512 4.544 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1ccc2ccccc2c1 800777767 VXOHVXPQOBMRAY-UHFFFAOYSA-N 441.535 4.680 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 802556720 YTXUKFGRCWBJDS-QUCCMNQESA-N 443.592 4.861 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Oc2ccccc2)CC1 802560269 PYSMCBUBETUBNF-UHFFFAOYSA-N 434.540 4.586 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 804462198 FNQTZEHTPNWACU-UHFFFAOYSA-N 440.540 4.678 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)c1ccccc1 811898192 NHNAUTCMDQRENK-BAGYTPMASA-N 441.369 4.669 30 10 IJEE CC(C)c1nnc([C@@H](C)Sc2n[nH]c(NN=Cc3cc(Cl)cc(Cl)c3O)n2)o1 1084226654 OYVAZVVDEZDTIZ-MRVPVSSYSA-N 442.332 4.623 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1124399309 WTIOSNOHXMQBRH-INIZCTEOSA-N 425.982 4.893 30 10 IJEE CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1124868050 DDJCUQRWMPSHIG-FCHUYYIVSA-N 437.540 4.807 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cc1 1125614062 COKSZJGFVRQKHF-UHFFFAOYSA-N 443.381 4.948 30 10 IJEE C#CCN(C(=O)c1ccc(C(=O)CC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1126229351 NLGBLDJSGIRKGI-LJQANCHMSA-N 426.310 4.641 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3cccc(F)c3)c3cccc(Cl)c3)cc2C1=O 1127231147 PSVUUBMAXWJADY-JOCHJYFZSA-N 448.881 4.781 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)n1 1127888015 IEXFKHUMGWIMPK-UHFFFAOYSA-N 433.830 4.976 30 10 IJEE C#CCOc1ccc(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 1128169353 ZKHOKCWICIXNJX-JOCHJYFZSA-N 435.321 4.570 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(OC)cc(Br)c2OC)cc1 1128193263 IAZBZPLTAWZIEQ-UHFFFAOYSA-N 448.313 4.728 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 1129702838 NPMBJKRVJQJLEM-GFCCVEGCSA-N 444.251 4.745 30 10 IJEE C#CCN(CC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1)C(=O)OC(C)(C)C 1136307738 CKSPOGOKMAMZOA-UHFFFAOYSA-N 433.961 4.505 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)C(C)(C)C 1140137652 KFHBOZQEKRWSBU-RPWUZVMVSA-N 445.563 4.914 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)c1 1157831573 HCVLKWFMXCFVAT-HXUWFJFHSA-N 443.894 4.684 30 10 IJEE C#CCN1CCC[C@@H](Nc2ncnc3scc(-c4ccc(Br)cc4)c23)C1 1164119556 CUTASOBSYPXUEK-MRXNPFEDSA-N 427.371 4.630 30 10 IJEE N#Cc1ccccc1N1CCCN(Cc2cccc(Br)c2OC(F)F)CC1 1167317988 BAHXNTQFKVMBSF-UHFFFAOYSA-N 436.300 4.634 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1OC 1180195250 SUZOZGXDCHRTHK-UHFFFAOYSA-N 440.931 4.738 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccc(CN2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 1208131602 OENVCYGZJILOCR-FQEVSTJZSA-N 448.489 4.762 30 10 IJEE C#CC[C@@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 1222094214 FQDKUUXGUOSWGF-CQSZACIVSA-N 431.851 4.734 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1234194029 UDGICUSEYRLQQO-FQEVSTJZSA-N 445.604 4.819 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccccc2Oc2ccccc2)CCCN1C(=O)OC(C)(C)C 1264833635 WNASGZKDASTBBP-SANMLTNESA-N 434.536 4.888 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1cc(I)cc(C(F)(F)F)c1 1266688940 XQEKCFUFETXGDI-UHFFFAOYSA-N 449.210 4.774 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)C(F)(F)F)cc1 1272452559 ARXVZCPFUUOFAY-SJLPKXTDSA-N 425.765 4.800 30 10 IJEE C#C[C@H](NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1ccc(Cl)cc1F 1275498134 MIZSXTXUSUQMIE-KRWDZBQOSA-N 437.689 4.530 30 10 IJEE CC(C)(C(=O)Nc1ccc(Br)c(C#N)n1)c1csc(-c2cccs2)n1 1276961742 CZOFEJRHRXPAPZ-UHFFFAOYSA-N 433.356 4.817 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1oc(CCC)nc1C 1286423633 VPUMSBALAVXDBF-UHFFFAOYSA-N 441.579 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccc(Cl)s1 1286436436 IHRMCZUCRXFRRI-UHFFFAOYSA-N 436.915 4.964 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN(C)C(C)C 1286519307 WCWNXCOACNIHKK-NTKDMRAZSA-N 444.023 4.794 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccccc2)C1 1286598742 AZYMBSFCIJEGOF-SFTDATJTSA-N 437.588 4.920 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286655424 MKIROVGQNYDHRT-NRFANRHFSA-N 435.616 4.560 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(COC)CC1 1286689886 GAMJEKKOYUMMPJ-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286703590 OQEREGVUJBJPHX-UHFFFAOYSA-N 431.584 4.781 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1286704532 WHWZOLNMRVJTIN-QHCPKHFHSA-N 425.602 4.563 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CCN(CCC)CC1 1286718635 QZGWLKGDJSPAEP-GOSISDBHSA-N 427.662 4.876 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@H]1C)C1CC1 1286731948 HEISAAJJXNNZCR-QZTJIDSGSA-N 429.996 4.711 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CCCC(F)(F)F 1286744838 OUXCYRLEOUCTBW-UHFFFAOYSA-N 432.494 4.675 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 1286827632 VFVHWZYCOARREI-IBGZPJMESA-N 446.983 4.732 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1286828597 ONFPAQNYKPFDFS-IAGOWNOFSA-N 427.643 4.686 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ccc(OC(C)C)nc2)o1 1289538420 DFBQXFQTIQLJRV-UHFFFAOYSA-N 442.523 4.585 30 10 IJEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)SC)C[C@H]1C 1295974996 AJXWPQJXRIMOMZ-MOPGFXCFSA-N 440.661 4.657 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1297109369 XTGFOERNDJZCAR-CQSZACIVSA-N 427.353 4.879 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(F)F)C1 1300342995 WWBPVHILYQDACR-INIZCTEOSA-N 437.332 4.993 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1300983050 UWOSECAOYUIYQQ-QHCPKHFHSA-N 437.632 4.630 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1301109622 NALGAMMKBPTMQQ-JQHSSLGASA-N 430.515 4.698 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](CCC)OC)CC1 1301135703 OPYPHZYDTVAGEZ-UXHICEINSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301203264 WAZBFAHBXNOIJJ-RHSMWYFYSA-N 444.885 4.805 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1301208064 NBQGTSJMTSAUKL-HNAYVOBHSA-N 431.378 4.678 30 10 IJEE C=CCCCn1c(N2CCC3(CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301234375 JLLVCBOGNPWLNV-KDURUIRLSA-N 429.609 4.786 30 10 IJEE C=CCCOCCn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1301261057 APQYPIWASQYZMV-JOCHJYFZSA-N 438.616 4.592 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1301612382 LTFPLQQMJFLWSE-FCHUYYIVSA-N 442.629 4.579 30 10 IJEE C=CC[C@@H]1CCN1C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 1304672657 WJESEYKRCZBVKY-HXUWFJFHSA-N 448.592 4.732 30 10 IJEE COc1ccc2ncc(C#N)c(OCc3nc(-c4cc(Br)cs4)no3)c2c1 1307364400 DYXGBTNXXXRIHO-UHFFFAOYSA-N 443.282 4.568 30 10 IJEE C#Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 1311262653 DDEIDHPGBDQDBT-CJNGLKHVSA-N 445.869 4.631 30 10 IJEE C=CC[C@H](NC(=O)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1)c1ccncc1 1312018505 CFXLNFNDIGFOAS-RTWAWAEBSA-N 442.604 4.815 30 10 IJEE C#CCN(C(=O)NC[C@H](C)Oc1ccccc1Br)[C@@H]1CCCc2ccccc21 1312192700 LDSBYANLHKXTSN-LAUBAEHRSA-N 441.369 4.939 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2cc(Br)cs2)CCCN1C(=O)OC(C)(C)C 1350564361 NWKHAJBLURNEHE-IBGZPJMESA-N 443.407 4.815 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)Cc1sc(-c2cccs2)nc1-c1ccccc1 1351749044 AWJDQNIURMWJLZ-UHFFFAOYSA-N 426.563 4.659 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCC[C@@H]1CCC(C)C 1356187467 DIVQRDVQYSFMMT-QGZVFWFLSA-N 437.378 4.916 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)OC(C)(C)C)cc1 1356331897 USDPIFQYUQWGQE-UHFFFAOYSA-N 434.536 4.637 30 10 IJEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)CCC1 1357535281 RQXUYPNEARORHL-UHFFFAOYSA-N 434.355 4.967 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)C(F)(F)F 1359004744 IJCXAUGZYWSHJM-UHFFFAOYSA-N 447.274 4.895 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCc1sc(C)nc1C 1359015618 ZIPLJDZLGFEGMX-MRXNPFEDSA-N 425.577 4.887 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[C@H]21 1359061221 VORJFGRDKPTNOW-RHSMWYFYSA-N 437.396 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1ccco1)N(CC)CC 1359067572 SXYKJRPRSRGZDY-ATIYNZHBSA-N 447.583 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1CCC(C(F)(F)F)CC1 1359073617 YFQFWQGZAJQHBM-OBFZPWGMSA-N 448.537 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCOC1 1359074157 SWFOFXZDYGBEPU-FQRUVTKNSA-N 436.600 4.573 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)OC1CCCC1 1359082331 FVEKVDOFLASAJB-UHFFFAOYSA-N 444.333 4.819 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(COC(C)(C)C)on1 1359109978 VYMWRVBIPWZGFD-UHFFFAOYSA-N 444.967 4.747 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H](C1CCCCC1)N(C)C 1359110744 ZMZJEFKITCXRMY-QFIPXVFZSA-N 425.621 4.867 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](CC)C1 1359126942 DFMGTIKVVIUDER-QHCPKHFHSA-N 449.599 4.561 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CCCS2)CC1 1359160774 DAWFJLGJKJIGKD-INIZCTEOSA-N 449.418 4.768 30 10 IJEE C=CCCCCn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359206828 QHFVODRZCYWGLM-RUZDIDTESA-N 442.604 4.857 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1359214766 LKINZYUMWFNBRC-NRFANRHFSA-N 426.536 4.724 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1359223424 KQXPVVWJTBPXKE-WBVHZDCISA-N 433.394 4.843 30 10 IJEE C=CCN(c1nnc(Cc2ccccn2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1359252395 PWLTWFUWSIWPCK-UHFFFAOYSA-N 445.901 4.722 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCC1(F)F 1359281984 OKWMPTJEVHQPQD-GOSISDBHSA-N 438.950 4.987 30 10 IJEE C#CCN(C(=O)c1cc(C)n(C(CC)CC)n1)[C@@H]1CCOc2ccc(Br)cc21 1360311181 QKXLRKATBLHBRJ-HXUWFJFHSA-N 444.373 4.914 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCC(C)(C)O 1360986291 ACGGTUHYUBZMLM-DLBZAZTESA-N 433.984 4.588 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(C)nc1Br 1436641759 YATMBDHNZCHCJT-UHFFFAOYSA-N 426.108 4.732 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2c(F)cccc2F)n1)c1ccc(Br)cc1 1436651980 VRUNKXCIFVSHKX-HNNXBMFYSA-N 433.277 4.955 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 1445360449 SJURMCSSGLWYDO-GOSISDBHSA-N 449.910 4.774 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(OCc2ccccc2)c1 1449226258 LSIZYWAUAUETDZ-UHFFFAOYSA-N 439.515 4.946 30 10 IJEE CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1457502265 HRYKCNJXQVVMSQ-HNAYVOBHSA-N 442.585 4.874 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)c1ccc(C(F)(F)F)cc1 1458178280 ZCCPNURWBATZDH-LJQANCHMSA-N 429.442 4.547 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3ccc(Oc4cccc(F)c4)cn3)n2)c(Cl)c1 1458219498 BGFQQEMJPVRNMF-UHFFFAOYSA-N 433.830 4.976 30 10 IJEE C=CCn1c(SCCN2CCOCC2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1458752409 KWZLNOJCTLVYCC-GOSISDBHSA-N 446.686 4.768 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@@H]1CCCO1 1458818118 XXVHLNWGIMPJQQ-PKOBYXMFSA-N 442.606 4.642 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)Nc2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 1458822504 BSZNBZNCEHMBRS-KRWDZBQOSA-N 439.606 4.951 30 10 IJEE C=CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 1459456772 WJIUBUYVPWKJKT-KRWDZBQOSA-N 444.292 4.779 30 10 IJEE C=C(C)CN(CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)Cc1ccccc1 1460055093 LQGDOIXQISBJSF-QGZVFWFLSA-N 426.582 4.676 30 10 IJEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccccc1CCC 1463108860 FHGDDFSAPBTDIU-LJQANCHMSA-N 448.382 4.549 30 10 IJEE C=C[C@@H](CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccccc1 1463954740 XKAQKKBYHVZMHB-PNWWAVQQSA-N 440.952 4.852 30 10 IJEE C=CCCC[C@H](C(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1)c1ccccc1 1465616212 TYINTLUQHPLVCP-SANMLTNESA-N 425.661 4.781 30 10 IJEE C=CCn1cc(CNC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)nn1 1465724920 RNRZUDUAEZOWRN-UHFFFAOYSA-N 447.518 4.831 30 10 IJEE C=CCC1(C(=O)N2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CCCCC1 1468729467 WXIQMQSDNMGGCU-SFTDATJTSA-N 434.621 4.824 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@H](c2cccc(Cl)c2)C1 1473417382 BXLFACVBECWCPS-VXKWHMMOSA-N 441.959 4.539 30 10 IJEE C=CCOc1c(Br)cc(CNCC2([C@@H](O)c3ccccc3)CC2)cc1OC 1474081087 MPEKVICFLXQXNH-NRFANRHFSA-N 432.358 4.626 30 10 IJEE C#CCN(Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)[C@@H]1CCc2ccccc21 1474387416 OBOXHFSLPVNIQB-XMMPIXPASA-N 434.580 4.960 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)C1 1476106273 ILXQYQPKRLBUSD-LJQANCHMSA-N 433.552 4.647 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCc1ccc(Br)cc1Cl 1476223750 FYJAQBWBFBKILQ-UHFFFAOYSA-N 425.685 4.618 30 10 IJEE C=CCN(CCOC)C(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1478306361 PADNOZRPDRCGEX-FQEVSTJZSA-N 440.437 4.809 30 10 IJEE C=CCCCCCCNC(=O)N1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1478605982 PXYZJBMXBSLRDF-SFTDATJTSA-N 437.625 4.617 30 10 IJEE CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC(=O)NC1CCCCC1 1495232168 AVUXCIQZBXVNDL-IBGZPJMESA-N 448.615 4.671 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1496590906 AEMQEFOKDFYCAD-QFIPXVFZSA-N 445.995 4.846 30 10 IJEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)ccn1 1505200800 HZERJJUGCHQDJL-UHFFFAOYSA-N 430.537 4.520 30 10 IJEE C#CCCCCn1c(N(C)[C@@H]2CCC[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507575964 WXHWAYRMIRLBJR-MXEMCNAFSA-N 443.636 4.867 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1507591962 QDPCYYBXBSVEQJ-WCRBZPEASA-N 441.620 4.716 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOC1CCCC1 1507644400 IBWQXJWRIRPBAD-UHFFFAOYSA-N 431.367 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCc1nccs1 1507795280 HPIDMJQSAXYGGV-PXNSSMCTSA-N 444.004 4.715 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(CN(CC)CC)c2)CC1 1507889936 UJVVIJCRPWSRTF-UHFFFAOYSA-N 435.641 4.977 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1507997536 ZWSDIMJDMMTXAV-GBXCKJPGSA-N 438.616 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1CC(C)(C)c1ccccn1 1507998861 JPWMJWMOHMPAGG-UHFFFAOYSA-N 428.584 4.914 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1508002328 DXQVUUPJOFAMHF-RUMRUAAYSA-N 431.584 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(C)CN(C)C1=O 1508006747 VPFVKRLJFWAVSN-OFVILXPXSA-N 449.624 4.552 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C 1508015027 ZTLDLSRSMCLPCI-SFTDATJTSA-N 431.669 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1CC1CCN(c2ccncc2)CC1 1508019829 JMSUDCCTDSTYEB-UHFFFAOYSA-N 442.611 4.667 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)C1CCCCC1 1508022340 VXPSMBJVVOSXDH-SANMLTNESA-N 433.600 4.791 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1 1508027718 NNWPKSVPWDULBF-UHFFFAOYSA-N 436.585 4.546 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1cc(C)oc1C 1508033172 LPLVLFQIIUTCQF-VWLOTQADSA-N 438.572 4.881 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC(F)(F)F)C1 1508114923 CQUIHZUEAGVVEG-INIZCTEOSA-N 446.420 4.670 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCSCc2ccc(C)cc2)C1 1508117813 SGFZEYYSAYJWET-NRFANRHFSA-N 438.597 4.870 30 10 IJEE C=CCOc1ccc(COC(=O)c2cnc(Br)c(Br)c2)cc1 1515008406 XAOZXBHXGKRXHX-UHFFFAOYSA-N 427.092 4.528 30 10 IJEE C=CCCOCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1521489405 KHYLRQNSTNOKQW-UHFFFAOYSA-N 432.549 4.780 30 10 IJEE C=C[C@@H](CC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)c1ccccc1 1523011723 JBWGITWHVFDBBK-HKUYNNGSSA-N 438.593 4.834 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 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429.944 4.605 30 10 IJEE C[C@@H]1O[C@H](C)Cc2c1sc(NC(=O)COc1cccc(C#N)c1)c2C(=O)OC(C)(C)C 1538949580 FSIBPNGHVFXUPK-KGLIPLIRSA-N 442.537 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(CCOC)CCCC1 1538975357 ZSQLCMNKEBHFCS-OALUTQOASA-N 428.552 4.612 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1539077397 AAUZEWIFAREOFW-OAQYLSRUSA-N 434.613 4.518 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539894609 NPZFPQMYIZFSNL-XZOQPEGZSA-N 435.660 4.976 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1539896803 SFNTXTCOUNXWTA-QZTJIDSGSA-N 428.552 4.602 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1539946748 CYEKHSNOGGDMRJ-IAGOWNOFSA-N 448.036 4.548 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1539954050 QVJMEDALEVPXQJ-HXUWFJFHSA-N 448.340 4.514 30 10 IJEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1540004885 HUCGJGZFDDZKBV-HZPDHXFCSA-N 431.378 4.634 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1nc(C(F)(F)F)cs1 1540133961 PSXWHEHVOZIPAS-MRXNPFEDSA-N 449.502 4.846 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1OCC(F)(F)F 1540162501 XGSYIKNOVPNYOR-UHFFFAOYSA-N 431.462 4.749 30 10 IJEE C[C@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCSC1)c1nccs1 1541827861 DFJHSMGAWANUDH-AEFFLSMTSA-N 438.626 4.656 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C 1543285394 VHLGRBNQTVUJOX-UYAOXDASSA-N 436.568 4.985 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl 1545595449 HLBNBTZPMCXSLL-QKKBWIMNSA-N 446.334 4.596 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(C)C)Cc2cc(OC)ccc21 1557108120 QVRYSFCETJMWOR-PKOBYXMFSA-N 436.980 4.892 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C 1557620335 UYQJSVCGCXGPMY-HDICACEKSA-N 431.602 4.889 30 10 IJEE C#CCCN(CCOC)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1557647547 MDIZJAGPUMJLBH-KNTRCKAVSA-N 449.532 4.634 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](Cc2ccc(F)cc2)C1 1559547628 ADTZWHGYXPXWGM-FUHWJXTLSA-N 425.573 4.919 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 1562941582 MEVNBWYKVQMXJQ-UHFFFAOYSA-N 432.864 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 1564674811 BUIIZRGRONIDLP-ICSRJNTNSA-N 435.406 4.975 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1Br 1567637354 PBKUPRFSRGAWQI-UHFFFAOYSA-N 426.314 4.785 30 10 IJEE C#Cc1ccc(CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)cc1 1583382318 SLDZVHVZEKQFKW-UHFFFAOYSA-N 439.224 4.504 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCSc1nccs1 1587593359 JJKJSIVXZNOFAX-CQSZACIVSA-N 448.017 4.704 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cc(-c4ccc(OC)cc4)cs3)n[nH]2)c1C 1587641474 BWPKODKALUIUHR-UHFFFAOYSA-N 447.564 4.743 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1588310182 SZLXLBFRBAZMEA-ISKFKSNPSA-N 429.568 4.584 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1nc(C)c(C)s1 1588452875 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30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1595070845 OWMRXRMXLMCWEC-XTOGBABISA-N 443.680 4.862 30 10 IJEE C[C@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CN1Cc1ccccc1 1595424134 CKEQCNCAHORRGD-RXVVDRJESA-N 429.495 4.882 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1595461217 PXMGRPOEWFQMOI-NRFANRHFSA-N 448.571 4.577 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCC(F)(F)CC2)C1 1595689071 RNPGKKJLCUPVMX-HXUWFJFHSA-N 432.515 4.561 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@H](C)[C@H]1C 1595860404 NUESVLZVCZZONX-IAGOWNOFSA-N 425.627 4.743 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(Cl)c1 1596589047 DPSXNYSILUTAOQ-UHFFFAOYSA-N 440.931 4.521 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1O)c1ccc(F)cc1 1611369607 ZBXKIORBFXSTDL-HNNXBMFYSA-N 438.673 4.782 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCOC2CCCCCC2)cc1C 1612123561 FKPUQCJCWYBIKH-IBGZPJMESA-N 439.604 4.809 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C#N 1614534728 DUVNSACBEGZLRP-PZJWPPBQSA-N 434.588 4.942 30 10 IJEE C=C(C)[C@H](NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1 1616854577 SNHPUDKIZWZRFP-QHCPKHFHSA-N 433.930 4.564 30 10 IJEE C#CCN(C(=O)c1cc(OC)c(OC)cc1Br)[C@H]1CCCc2ccccc21 1617567119 QVQIVILNUZSISO-IBGZPJMESA-N 428.326 4.619 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2CC)c1 1623086554 MJNUKXHAYUKAQQ-JOCHJYFZSA-N 437.540 4.649 30 10 IJEE C#CC[C@H](NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccccc1 1623311183 JITFLZIHQBHLOE-RBBKRZOGSA-N 435.568 4.982 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 1624550785 FTDIUZJKNSAACM-LJQANCHMSA-N 436.955 4.520 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 1625285701 KWMRSCPIXJUGDS-AVRDEDQJSA-N 430.907 4.535 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 1625508792 XMTJLRZPOJIQRI-SFHVURJKSA-N 426.582 4.549 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1626007602 TZAVISFKBHQGMA-SLFFLAALSA-N 436.980 4.649 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)s1 1628596665 FNMMQDCDXTTXIN-KRWDZBQOSA-N 446.414 4.831 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(OC)[C@@H](C)c2ccccc2C)nnc1-c1ccco1 1629012664 SQTJYBIMEMJCFO-KRWDZBQOSA-N 426.542 4.666 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@@H]2c2ncc(-c3cccc(OC)c3)[nH]2)cc1OC 1635091547 RZRGGMRQLWNNQZ-OAQYLSRUSA-N 433.508 4.636 30 10 IJEE C#C[C@H](NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1636312795 RZONWESXKXOAGG-WMZHIEFXSA-N 430.907 4.710 30 10 IJEE C=C(CN(C)C)C(=O)N(C)Cc1ccc(Br)cc1Oc1cccc(Cl)c1 1644860648 QRBCGUGEMPTKQB-UHFFFAOYSA-N 437.765 4.971 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nccn1-c1cccc(C)c1C)c1ccccc1 1648457992 DJTMHRCJEKPNSL-GDLZYMKVSA-N 425.579 4.821 30 10 IJEE C=CCOc1ccc(CNc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1OC 1651534368 DXJBEVNGPOLXCW-UHFFFAOYSA-N 444.597 4.825 30 10 IJEE C=CCn1c(SCc2cc(O)nc(-c3ccccc3)n2)nnc1-c1cccc(OC)c1 1651851384 ZDUBGIUMGYVGHA-UHFFFAOYSA-N 431.521 4.595 30 10 IJEE C#CCN(C(=O)c1cccc(Nc2ccccc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973316 JGQQTAKVXDCERC-UHFFFAOYSA-N 433.552 4.905 30 10 IJEE C=C(C)c1cccc(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c1 1653376567 SMKGMNHKRNYIAX-NRFANRHFSA-N 438.524 4.685 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)c(F)c1 1654419136 ACOQLXFQUDFAFM-UHFFFAOYSA-N 427.328 4.648 30 10 IJEE C=CCOc1ccc(CNC2CCN(Cc3ccc(Br)cc3)CC2)cc1OC 1656879487 FBMQIWSXQHKGLO-UHFFFAOYSA-N 445.401 4.777 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@H]2COC(=O)N2CCCCC2)cc1OC 1658038930 AMMLKXGUDRYBNE-IBGZPJMESA-N 436.980 4.890 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccc(Cl)c2OC)cc1OC 1658079805 SIBPBHURWWTQSN-UHFFFAOYSA-N 426.738 4.974 30 10 IJEE N#Cc1ccc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)nc1 1663771365 IDFIRXYFMAETPV-UHFFFAOYSA-N 437.956 4.685 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C(C)(C)C 1671651087 XMXGTEFWHIZFKP-AWEZNQCLSA-N 426.357 4.738 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br 1672799117 ZEIUMBMPOKESRQ-MOPGFXCFSA-N 435.387 4.874 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 1674202331 IFSADHWFNSGNCN-QZTJIDSGSA-N 445.485 4.986 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)cc(OC)c1OC 1674533727 HHLSMUWNGYHJEE-UHFFFAOYSA-N 437.462 4.839 30 10 IJEE CC1CCN(c2ccc(F)cc2NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1674730613 APNARQAMMFXZKN-UHFFFAOYSA-N 446.530 4.656 30 10 IJEE C#CC[C@@H](NC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 1680515955 WKIRWKWYINCTSW-MRXNPFEDSA-N 427.879 4.910 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)NCc3ccc(COc4ccc(F)cc4)cc3)CCO2)c1 1683419299 FXCJCAHUDIYRGV-RUZDIDTESA-N 445.494 4.559 30 10 IJEE Cn1cc(CNC(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1 1686078507 DXCJSSLNISHSMM-DENIHFKCSA-N 433.943 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCCCCC2)nc1 1690264598 XVXQSOPIBXGAQU-QFIPXVFZSA-N 438.620 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OC)c1OC 1690271572 VDKQKFQBQMVJIY-DENIHFKCSA-N 442.604 4.665 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1690305040 VFAOTZZMPKFCIG-VQIMIIECSA-N 431.378 4.679 30 10 IJEE C=C(Cn1c(COCC)nnc1N(C)Cc1nc(C(F)(F)F)cs1)c1ccccc1 1690325758 HCLYSSUHBXCQPZ-UHFFFAOYSA-N 437.491 4.640 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1690338670 FOIABDGCFHFTNE-RTBURBONSA-N 429.996 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690369609 QVBBREFXZBHCMQ-RTBURBONSA-N 440.588 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1690372163 CJJWEEPURKAERT-UHFFFAOYSA-N 443.473 4.881 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnn(C)c1C 1690461362 YPMBUPORJZYULY-UHFFFAOYSA-N 431.544 4.635 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H]1CC 1690500478 WXMNNONEZDGANP-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(C)CCCO1 1690518895 YNTJUOMLUNSDIU-SFHVURJKSA-N 425.758 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)C(F)(F)F 1690558514 SOGWBSULXLFKKH-GOSISDBHSA-N 438.494 4.919 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@@H]1C 1690737788 XMKGKWNNLCWSPT-ROUUACIJSA-N 430.618 4.895 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC=CO1 1692348800 IBFCNJYAOPHHEY-NJDAHSKKSA-N 429.609 4.656 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCc1cccc(C)n1 1705476579 BMTBELVPZVICJJ-RBBKRZOGSA-N 431.584 4.829 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCOCC1 1705476730 DNHKUVIEHYDPNZ-QZTJIDSGSA-N 430.980 4.573 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705510061 RTUUBSRMGQNLGE-JKSUJKDBSA-N 449.418 4.720 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(OCCc2ccccc2)CC1 1705511928 KEGNASLJLMYNIO-UHFFFAOYSA-N 432.568 4.878 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705529506 KXHSJAWLVVJTOB-LJQANCHMSA-N 435.597 4.770 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1705616549 KCJPOVBKZKUZLT-UHFFFAOYSA-N 430.980 4.709 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCC1(COC)CCCC1 1705620834 IDHMNVZWJYCEMX-JOCHJYFZSA-N 440.563 4.505 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 1705702771 OSZQZQAQJADNFH-WIOPSUGQSA-N 437.632 4.694 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1705722630 UIMGBQRWQKVRHX-ICSRJNTNSA-N 435.572 4.789 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1705855201 XVKLAKPGRFXYCD-CQSZACIVSA-N 438.906 4.630 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1Cc1ccc(OC)c(Br)c1)C1CC1 1705855812 UNUVLZKALIKBAY-UHFFFAOYSA-N 445.405 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1(C)CC1 1705873950 AHZPTIGRKPSWDJ-UHFFFAOYSA-N 429.609 4.761 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(Cl)s2)C1 1705928902 IWMATXXXXHGXRO-SFHVURJKSA-N 444.988 4.710 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CC=CCC1 1705943292 UQECWRYXRFYIQA-FQEVSTJZSA-N 434.613 4.843 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1722316297 GWFQPFHGUFJZRS-QFIPXVFZSA-N 426.580 4.995 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCC[C@H]1OC 1722376348 ZCHYZXSTJUQFSJ-PZJWPPBQSA-N 448.567 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC(O)(CCC)CCC 1722466804 FWGRORGSDBHLAB-YADARESESA-N 442.579 4.881 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1722467012 KHZCBAGLBWOWMK-RRZZWSPOSA-N 425.646 4.928 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C(CC)CC)no1 1722469698 JMTYXABZMIRFPF-RUZDIDTESA-N 428.540 4.749 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1SC 1722504182 FDARDQZPRAZMLO-SIKLNZKXSA-N 437.613 4.623 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1722569119 NKNOPUOAQFCGGP-UHFFFAOYSA-N 436.629 4.807 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](CC(C)C)N(C)C)CC1 1722573968 FESUABALDHBBGN-FPOVZHCZSA-N 443.611 4.936 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1722603193 QONHWYWDGKQIDR-UHFFFAOYSA-N 433.556 4.585 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722609795 FTWQSIJGSDQYCC-RBBKRZOGSA-N 434.588 4.937 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CC1CCN(c2ccncc2)CC1 1722656041 PFRJKSXISQYQAJ-UHFFFAOYSA-N 430.600 4.906 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1nc(C)no1 1722668569 SQWKUULRKRHNJZ-INIZCTEOSA-N 438.601 4.634 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1722669603 IKBILJRAUMMFEK-UHFFFAOYSA-N 430.487 4.826 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(CCCCC2)C1 1722695397 BNYKAIAQCNIACF-UHFFFAOYSA-N 448.398 4.715 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cscc2C(F)(F)F)C1 1722712228 NHERGBLRVDRDOB-MRXNPFEDSA-N 449.502 4.558 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)cs1 1727464488 CMVYMGSPTUITBJ-UHFFFAOYSA-N 426.615 4.614 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740569992 NAIZJGWVOWDSIO-HXUWFJFHSA-N 444.526 4.637 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1740574769 LCWWFUKQDDLGSO-AOYPEHQESA-N 443.595 4.672 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nccs1 1740769665 QFYAXOIIJTXVRG-UHFFFAOYSA-N 448.390 4.623 30 10 IJEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)CC1 1740840946 NXZGJVNIRIEHJK-HXUWFJFHSA-N 447.505 4.720 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1740865392 MYDKZIRUJKSLIX-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCC1(C)CC1 1740939103 RANLLILCWCJNTG-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1742868244 DCIHAILRCMSFDW-FGTMMUONSA-N 448.571 4.620 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1748756418 LTPKKVYYGFPLSS-OAQYLSRUSA-N 433.625 4.535 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCCCC2)CC1 1748762261 INQJOFQDBYPVGQ-UHFFFAOYSA-N 437.657 4.747 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1748869067 SIHULQZSIJNITF-CPJSRVTESA-N 438.019 4.572 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCSC1(C)C 1748912988 NLEFWWXZOZCCBH-MRXNPFEDSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OCC)cc1 1749126291 ANOZYWSSLKPZLK-QPPBQGQZSA-N 447.583 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1749134141 VEEVCGYGYOVTKO-LNLFQRSKSA-N 440.535 4.690 30 10 IJEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 1749252135 NPNLBFIUSAVZJT-KRWDZBQOSA-N 443.979 4.620 30 10 IJEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC(C)(C)C)CC1 1749299047 XNTQWNCHLFUHFO-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)CCC)CC1 1749334975 ILOVLCHEAQJGSB-NRFANRHFSA-N 433.394 4.661 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1Cc1cc(Br)cs1 1751097119 DUKQOMOXXJVBBS-OAHLLOKOSA-N 444.402 4.674 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)c1nc(C)cs1 1760224079 XBOHZKIEPLWBSO-FQEVSTJZSA-N 447.608 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SC)C1 1760319015 KPATYPQKEQVKHD-FSSWDIPSSA-N 437.613 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(C)(C)O)cc1 1760331595 NJFKYYLQKXINPP-UHFFFAOYSA-N 425.964 4.672 30 10 IJEE C=C(C)COCCn1c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1760361071 GHMVZFYMQRDHEF-NRFANRHFSA-N 447.023 4.772 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](C)c2nccs2)CC1 1760385615 YFCWXWMKSDSYKI-KRWDZBQOSA-N 439.585 4.769 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1760391494 FMHSAOWUBIXKBV-BKMJKUGQSA-N 437.632 4.567 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cc(C)nn2C)CC1 1760405525 WBIPMJMUNGWMPB-UHFFFAOYSA-N 448.615 4.647 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1760416856 OWHREIKAAHJQLL-FGZHOGPDSA-N 442.579 4.821 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CC(F)(F)Br 1760486104 CRJUDUNQHKNLBS-UHFFFAOYSA-N 428.306 4.515 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760501773 BOODUSPMFOESDP-NTKDMRAZSA-N 446.039 4.748 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](OCC)C1 1760508172 LTQNALDYHDIGAL-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1760563249 LLQUZBZUHPSPAD-UHFFFAOYSA-N 433.581 4.918 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760565166 PHLZXSBEEASGER-OAQYLSRUSA-N 431.694 4.947 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccoc1)c1ccco1 1764921086 AANLLNRPNXREMT-JOCHJYFZSA-N 444.539 4.722 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 1772788109 KFLUURRUBVJKJR-UHFFFAOYSA-N 425.771 4.942 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 1860729200 AZSSJJIFNNIYPG-XBXARRHUSA-N 427.806 4.987 30 10 IJEE CCN(CC)Cc1ccc(COC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)cc1 1860737450 GZOIPLWBQICISV-ZRDIBKRKSA-N 448.332 4.756 30 10 IJEE Cc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)Nc3ccccc3C#N)cc2[N+](=O)[O-])cc1 1860841451 QXIOCHCCVNIPBX-ACCUITESSA-N 440.459 4.608 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)COc1cc(Cl)ccc1Cl 1861654639 MZBLPLLBJGMXNK-SFHVURJKSA-N 429.388 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1Cl 1862436112 LYAKOPLIFQJJGX-IBGZPJMESA-N 438.823 4.620 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1 1862437423 QMZMAQHNGMTSBD-HXUWFJFHSA-N 441.911 4.751 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CC2)cc1OCC 1862512887 XGLXQRMTKYACJZ-QFIPXVFZSA-N 439.483 4.672 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cccc(Br)c2)cc1 1862522609 MRBWTMSDNJEMMX-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1 1862607581 SLJRSBNWOJIIDO-OAQYLSRUSA-N 441.911 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(F)c2)cc1F 1862638192 WCBISUIJOSADMB-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)ccc1O 1862677464 FMBGGCWDFQKLRI-NPMXOYFQSA-N 447.462 4.879 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 1862703293 TUJNGUCFEZGNTB-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1O 1862727966 QBHIUUNJJRLCQK-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2ccccc2Cl)C1=O 1863062231 CXFMWRWIMNAJDO-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCN(C)C)C1=O 1863776388 YFMFISDIFLQKTH-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)c1cc2ccccc2o1 1870155748 CTMDWZSJZHBQCH-UHFFFAOYSA-N 435.443 4.716 30 10 IJEE CCCCCCCOc1cn(CCO)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870259707 FAXZBLJWKTUAOC-UHFFFAOYSA-N 443.613 4.542 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CSCc1ccccc1 1870305811 GRUOSGVOHFESKX-UHFFFAOYSA-N 427.566 4.722 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CN2CCc3ccccc3C2)cc1=O 1870386321 KNQWZVNKTZIMHF-UHFFFAOYSA-N 439.559 4.695 30 10 IJEE Cc1cc(O)c(CN(CCO)Cc2ccccc2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871393987 XEVLBCYFNSESLV-UCQKPKSFSA-N 449.934 4.965 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)c(OC)c1 1871456227 SYCRBMLWBAHOMC-MSXFZWOLSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871852242 HKAJIWMJTQYIPF-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872412068 BLJOFGHYKVWZFX-JOCHJYFZSA-N 428.598 4.986 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872474249 DQRDQYVFTNRCGT-QHCPKHFHSA-N 428.598 4.788 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c1 1872770860 HABGUIZQGUCPIJ-YXOJNZSOSA-N 435.461 4.625 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)c1 1872771303 RDJIXVGJLYTEKV-KRWDZBQOSA-N 428.897 4.736 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccc(Cl)c2Cl)C(=O)N(Cc2ccco2)C1=O 1873335343 CWSIAGWYUHDDDE-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(NC(C)=O)c3)c(=O)oc2c1C 1873915987 SFWHHNALBJTPOQ-UHFFFAOYSA-N 434.492 4.504 30 10 IJEE CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(N(CC)CC)cc1 1874261853 VTTZNVCANSVANI-AFUMVMLFSA-N 445.539 4.976 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2/N=C/c2cccc3ccccc23)c(C)c1 1874328415 NGUJPVPCXRTUPO-WGOQTCKBSA-N 446.576 4.984 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874353755 ZUXUMGRJZLEXBP-SRZZPIQSSA-N 431.905 4.551 30 10 IJEE CCN(CC)C(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccccc1C 1874356213 XMGPEYIYUUHSTJ-WGOQTCKBSA-N 449.624 4.637 30 10 IJEE Cc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCC(=O)NC2CCCCC2)cc1 1874418236 GJGKTEHHNSPUKE-YZSQISJMSA-N 447.608 4.601 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)cc1O 1874422304 FQMNAFOJRVDSNY-SSDVNMTOSA-N 426.498 4.731 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(O)cc1 1874480576 CRZBONPYXSNSGU-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2)o1 1874481785 NONXRFMOEKFZQC-FSJBWODESA-N 430.505 4.659 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874493471 NVOSICZLDWCBIQ-SSDVNMTOSA-N 440.400 4.695 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1c[nH]c2ccccc12 1874509374 ZSWKUHACRHQZDR-BRJLIKDPSA-N 436.516 4.635 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 1874520651 SGYQHOUMCWHIBW-FSJBWODESA-N 426.929 4.770 30 10 IJEE CCCOc1c(/C=N/n2c(CC)nnc2SCc2ccccc2F)cccc1OC 1874526960 PWVWHNHMYDHFIW-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C2CCCC2)c1OCc1ccccc1F 1874559917 XBTJOBHXWVHEMD-ZMOGYAJESA-N 426.517 4.833 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCCO2 1874581782 GCYAEMOORZDJKG-ZRDIBKRKSA-N 443.499 4.988 30 10 IJEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 1875094169 FGJWDXZWBZXRRZ-CMDGGOBGSA-N 448.269 4.968 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1 1875103237 ZGXJOGILJLVUBN-DTQAZKPQSA-N 432.472 4.974 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccc(OC)cc3)ncnc2n1CCCC 1875215161 YOWVBNUHWIDVTF-UHFFFAOYSA-N 433.556 4.666 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(F)cc3Br)n[nH]2)c1C 1889739816 YGLQRAJQDSOFNG-UHFFFAOYSA-N 432.297 4.620 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cccc3ccccc23)[C@@H]1c1ccc(C#N)cc1 1892020577 LNUTZKPIKPNEJY-BJKOFHAPSA-N 429.545 4.744 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3ccc(Br)cc3)n[nH]2)c1C 1892118843 WYEYIEVGDULTLV-CYBMUJFWSA-N 442.361 4.720 30 10 IJEE C#Cc1ccccc1[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1951648727 OXNNPQCAWARBSR-IBGZPJMESA-N 425.484 4.765 30 10 IJEE CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)O)co1 1952497334 AQKDIKYIHRVMHR-LJQANCHMSA-N 438.505 4.661 30 10 IJEE C=C1C[C@@H]1C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 1996705243 NMWORRAPHBXACB-PKTZIBPZSA-N 427.633 4.880 30 10 IJEE CCCCC#CC[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024378270 HGVRHAZRZSKRGP-ZEQKJWHPSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037435411 DEBCGWLWKWELAB-BKMJKUGQSA-N 439.600 4.741 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2037991500 XYUHBPWEQUDODR-WKWYISCVSA-N 436.640 4.647 30 10 IJEE Cn1cnc(Cl)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 2054879728 LXWZEPDAXBXBOM-CYBMUJFWSA-N 425.714 4.842 30 10 IJEE N#Cc1ccc(Cl)cc1Nc1ncc(I)cc1Br 2069530250 VVQZSYQJPIMCIP-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE CCc1nn([C@@H](c2ccc(C)cc2C)C2(C)CC2)c(I)c1/C=N/O 2079005426 KUBCSWLQBGXAQW-RYFGYPJOSA-N 437.325 4.865 30 10 IJEE Cc1cc(F)c([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c(Br)c1 2116785813 BRELTABDCVBZPX-CZUORRHYSA-N 427.314 4.877 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2124450074 VYRUQENATKWVGX-SJORKVTESA-N 429.399 4.773 30 10 IJEE C=C1CCC(C[C@H](NN)c2ccc(Br)cc2I)CC1 2142290132 YMAGZFURNPPBPL-HNNXBMFYSA-N 435.147 4.695 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)C2(CCC2)C1 2174818609 BRHXNYNZGSMCJP-CQSZACIVSA-N 438.341 4.876 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)c1 2180051466 WKSGMKPGWQHVTK-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE C[C@H](CCC[C@@H](C)C(=O)Nc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C 2181046781 MNEPZJWDQAYUIV-ZIAGYGMSSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@H](CC(F)F)C1 2183426434 MYVYCGQWBDQKOZ-GFCCVEGCSA-N 448.283 4.541 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2185919149 GKJGYSFUCQAURJ-QGZVFWFLSA-N 438.341 4.686 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247963747 QBKUBXZFNFZHSZ-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE CCc1nc(C(=O)N(Cc2ccccc2)C2CCCC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255643276 RQWNHYBPLMECPA-UHFFFAOYSA-N 440.418 4.590 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1c(Cl)nc(Cl)nc1Cl)C2 2281478472 XELXNOKCOKVCDD-QWRGUYRKSA-N 434.751 4.727 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](N)(C#Cc1cccc(Br)c1)C2 2296219731 RCESCHHXUZBOPF-QFIPXVFZSA-N 433.390 4.699 30 10 IJEE CCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C#Cc1ccc(Br)cc1 2296221807 LYZFCPQYRSTAAR-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](CC)CN1C(=O)OC(C)(C)C 2296274988 XAECIBVUEPYRFL-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C12CCC(CC1)CN2C(=O)OC(C)(C)C 2296281137 IEHUARWPGRFHNA-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CCN=C1SC(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)N1CC 2297331079 VMBAKLRSLDQHBD-UHFFFAOYSA-N 432.549 4.592 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2cccc(OC)c2)SC1=S 2297624749 KERAUFIICJRVFC-UHFFFAOYSA-N 441.574 4.930 30 10 IJEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2300005946 CKVNAZALAJELSQ-SFTDATJTSA-N 436.557 4.996 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 2314478356 SEQRHLQIWWEZFC-XMMPIXPASA-N 445.471 4.562 30 10 IJEE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353202 FTZOPOLGQBBILJ-AEFFLSMTSA-N 432.370 4.797 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cccc2[nH]ccc12 2321880525 CFMIAPDLAVTOLV-UHFFFAOYSA-N 433.537 4.673 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)N[C@H](C)c1ccccc1 2322748800 UNEPRGYGBRPJLN-GOSISDBHSA-N 433.479 4.987 30 10 IJEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2322948609 KMANEPJHIHZYLQ-UHFFFAOYSA-N 431.400 4.504 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])cc(C)c2C1=O 2323153338 ATKSMYKPQSIERS-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)c1 2323486961 SBQIVJCCQGTVRM-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(O[C@H](C)C(=O)OC(C)C)ccc3C1=O)cn2C 2324305291 WYJDPPSDRMXDHA-OAHLLOKOSA-N 435.476 4.522 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)s1 2324800558 BRIXETXHEWZVGV-OAHLLOKOSA-N 441.534 4.574 30 10 IJEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C(=O)O)cc(C)c2C1=O 2325162062 MDONRDPOUHHJRH-UHFFFAOYSA-N 449.484 4.697 30 10 IJEE CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1OC(C)C 2326737704 BDABODFBEHLWOI-UHFFFAOYSA-N 440.569 4.668 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(O)c1 2328075341 IXSZXYMHURFRHD-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccncc1 2328280187 SBMIJEPGJDUEFF-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(C(F)(F)F)cc1 2330276296 GUUVKEMXRIQMQJ-UHFFFAOYSA-N 440.491 4.567 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccn2C)c1 2330625342 DMVVMNMEQQBWAP-UHFFFAOYSA-N 444.564 4.513 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1N=Cc1c(Cl)cccc1Cl 2330726781 BWRLAMDWOPKTIC-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE C=CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330974553 ONOJZHJCYIFKTG-FQEVSTJZSA-N 434.521 4.509 30 10 IJEE CCCOc1cccc(C=Nn2c(CCOC)nnc2SCc2ccccc2F)c1 2331281892 DWJAMTZEGVZTFS-UHFFFAOYSA-N 428.533 4.569 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C(C)(C)C)c1 2331364055 HYTGBCHPPYUAQW-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)c(OC)c1 2331725208 ZOUMDSWRVXSEDY-UHFFFAOYSA-N 439.445 4.789 30 10 IJEE C=CC[C@H](Oc1cc(Br)nc(C(C)C)n1)[C@@H]1CCN1C(=O)OC(C)(C)C 2335734483 FECRDDQUSIOMKO-KBPBESRZSA-N 426.355 4.695 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](CC)CN1C(=O)OC(C)(C)C 2360196750 XAECIBVUEPYRFL-VDGAXYAQSA-N 435.406 4.814 30 10 IJEE N#Cc1cc(Br)ccc1N[C@@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2374896911 BSKTYVGTLICQJU-FPOVZHCZSA-N 429.314 4.715 30 10 IJEE CC1(C)C[C@](Nc2cc(Br)ccc2C#N)(C(=O)O)[C@@H]1OCc1ccccc1 2374929324 DMGXSTMGZBLNLX-WIYYLYMNSA-N 429.314 4.571 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(O)C#Cc1ccc(Br)cc1 2381035316 WNUSNYPQVMUVTN-DVRVPYBTSA-N 434.374 4.635 30 10 IJEE COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2C#N)cc1Cl 9130821 HIFTWEBHPDDEOW-UHFFFAOYSA-N 434.883 4.523 30 10 IJEE Cc1cc(I)ccc1/N=C/c1cc(Br)c(N(C)C)o1 59104418 FWIHWKDUEBQJDQ-CAOOACKPSA-N 433.087 4.772 30 10 IJEE Cc1ccc(C(=O)C2CCN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CC2)cc1 97504682 DNYRJPCSKDDCGH-UHFFFAOYSA-N 437.971 4.798 30 10 IJEE CCCCCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 100170581 KEZDXAPSBFGRAZ-UHFFFAOYSA-N 447.626 4.685 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2F)no1 102508597 YBYYMAIRTFNKED-SADKCHQCSA-N 436.439 4.536 30 10 IJEE CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C\Nc2ccc(Br)cc2)C1=O 103918338 BWFXEWBNIBFEFN-RVDMUPIBSA-N 426.266 4.749 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCCC2)cc1 169957144 MZJUGENYGGJVGC-VWLOTQADSA-N 432.564 4.983 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OC(C)C)cc1 169977901 YDDCONXQZKPXDX-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccn1 169994488 NUJGSSMZMOJQPU-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCCOC)cc1 170033006 MRLQTAHRQVQHBQ-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2)c1 170036473 AUDHSOXSAVCQKW-QHCPKHFHSA-N 443.455 4.597 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccccc1 170048462 LRFCYDIUEZXHLS-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(O)cc1 170133142 LRRILBCXVJDGOU-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccs2)cc1 170155043 OEJZCWUESUSVLY-OAQYLSRUSA-N 443.565 4.786 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)cc1C 170169286 IAJBIGXVPWPFRZ-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)cc1C 170198309 IGGDIDSGGWKVHW-OAQYLSRUSA-N 434.517 4.629 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)cc1 170199315 MPUBVHZHOSFYNV-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccncc2)cc1 170201242 UAVVZIBVWARGIA-QHCPKHFHSA-N 428.488 4.744 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)cc1 170283438 IRIYPGWFMCXLFO-CMJOXMDJSA-N 429.472 4.948 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170292370 QKLFCJCZKWPXPP-GOSISDBHSA-N 429.259 4.760 30 10 IJEE CC(=NOC(=O)c1ccc(Cl)cc1)c1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1 254291072 UKWRIEXXURFHIB-UHFFFAOYSA-N 437.304 4.613 30 10 IJEE CN1N[C@@H](c2ccc(Cl)cc2)C(=NOC(=O)c2ccc(Cl)cc2)SC1=S 254442128 WLLLSXFQPDIIOI-AWEZNQCLSA-N 426.350 4.673 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1F 484521718 QBHOWLBACNDLOR-OAQYLSRUSA-N 447.466 4.801 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC 505587837 SYPJMNJIAQOQJH-RUZDIDTESA-N 444.531 4.667 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cccs2)C1 508794530 LFFUUCDFKYHOCG-CRAIPNDOSA-N 430.961 4.897 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(O)c2)ccc1OC 526516583 PVWSQIXJNDVCEI-XMMPIXPASA-N 442.471 4.728 30 10 IJEE N#Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 526667257 QEUMKGQVMNTAPO-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526803905 UUSZHYVKWMITNZ-QRVIBDJDSA-N 443.504 4.851 30 10 IJEE C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 539336245 FTWOLQIXXLPATQ-IAGOWNOFSA-N 433.581 4.752 30 10 IJEE C=CCCN(c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586257330 FTRKFVXWIUGYDC-UHFFFAOYSA-N 430.751 4.883 30 10 IJEE CC(C)c1nc(C(=O)N(C)c2ccc(C#N)cc2F)nn1-c1c(Cl)cccc1Cl 609216228 FVLZOYVTNVLUHE-UHFFFAOYSA-N 432.286 4.985 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc(C(=O)OCC)cs1 610153071 LHZGEXGFMHGFAK-KGLIPLIRSA-N 440.443 4.541 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1 698441805 LLQLKZHZANXEJN-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE C=CCC1([C@@H](O)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 722927449 GUZXSSBYXSSTPD-INIZCTEOSA-N 430.770 4.819 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2oc3ccccc3c2C)C1=O 734296960 WUQARTSJGPSAFY-IBGZPJMESA-N 441.940 4.662 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C)c1C 742215287 UCSSDFACQOKSCD-OAQYLSRUSA-N 437.540 4.816 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 745260560 AGEWSJDNTAZORY-UHFFFAOYSA-N 428.876 4.595 30 10 IJEE CCOc1ccc(OCC)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccccc2)c1 762439932 IDIKFRJIMKVHKV-UHFFFAOYSA-O 446.552 4.966 30 10 IJEE C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)NC(=O)c1ccc(C(C)(C)C#N)cc1 796809399 BVYXHVPXJKJMSH-LBPRGKRZSA-N 425.337 4.615 30 10 IJEE COC(=O)c1ccc(NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1084092140 KNCGFZIYSRUQOM-UHFFFAOYSA-N 436.380 4.528 30 10 IJEE C=CCO[C@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 1116550614 FWNKXAIATKHNGY-INIZCTEOSA-N 449.866 4.666 30 10 IJEE C=CC(C)(C)CC(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1125603039 KUBAVBLDOVYYDH-LJQANCHMSA-N 430.545 4.784 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 1136948241 XPTPXBQVRCNKGF-NRFANRHFSA-N 446.588 4.989 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 1140601892 MLWBFDMUMNMWRV-GOSISDBHSA-N 428.907 4.707 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)CCCC1 1140633411 IHQRAUHUXREFRP-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE CCOc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ncc(C#N)cc2F)cc1 1184695474 GPPAQVKTVUNPPN-UHFFFAOYSA-N 431.496 4.814 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1cccc(OC)c1 1188899316 NZDJDYITBAEZAG-LJQANCHMSA-N 443.956 4.670 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1nc(C)c(C)s1 1190752206 JIKIECAVLFIKBQ-GFCCVEGCSA-N 426.355 4.677 30 10 IJEE CN(CCc1cccc(Br)c1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1204207220 GJTDSENMSMMVPN-UHFFFAOYSA-N 442.235 4.926 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1)c1ccccc1 1206121196 CFXPFPFZVQWCSR-LJQANCHMSA-N 443.732 4.843 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 1219095222 FIXXYAMHVDZZDS-UHFFFAOYSA-N 442.006 4.698 30 10 IJEE C#CCN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CCOc2ccc(Br)cc21 1227479536 KWIJBLLPGLWELD-YFVAEKQCSA-N 439.353 4.864 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1)c1ccc(F)cc1 1230479001 UBXVJSICEDOAJO-GOSISDBHSA-N 426.289 4.512 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1=Cc2cc(Br)ccc2OC1 1272192529 IVLARSXWXILOLA-UHFFFAOYSA-N 430.346 4.607 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2[C@@H](C)[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC 1277021674 DDPIDQDEYXYXDG-QVOCUEQWSA-N 444.572 4.518 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)C(C)C 1286278116 AIISPSRJOAVMFG-HNNXBMFYSA-N 433.394 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCc1cccc(C)n1 1286280856 FTRWUOLETNPEEA-HNNXBMFYSA-N 444.402 4.563 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286419699 CZCAGMYOJMDKEW-ANULTFPQSA-N 436.987 4.971 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1286537813 DNBXPUWFAZBWDA-OAQYLSRUSA-N 444.377 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CCSC 1286560932 KKHUZRNBEJAEQS-SPEDKVCISA-N 439.629 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CCCSc2nccs2)CC1 1286644312 RJLPUYJVBDKJEY-UHFFFAOYSA-N 427.599 4.749 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1286662737 WQTPKOMVCJSDIJ-OAQYLSRUSA-N 444.627 4.796 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1286696164 VPHMWNUHTZQJTN-IBGZPJMESA-N 427.936 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1nc(C)c(C)s1 1286750728 GFWVGQKBYAFIBG-GOSISDBHSA-N 429.615 4.700 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)CC)C1 1286801174 ADZJJTYVSBNFPY-AWEZNQCLSA-N 439.423 4.987 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cscc2C(F)(F)F)C1 1286812105 LXSJCKYCFKQQHR-QGZVFWFLSA-N 440.535 4.921 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(C)cc(Br)c3C2)cc1OC 1287728641 GSYLIUBWXSNQAD-SOFGYWHQSA-N 442.353 4.929 30 10 IJEE C=C(C)C[C@@H](NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC 1288353881 AORDPUCRSXICJX-WMLDXEAASA-N 436.961 4.631 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)c(C)c1 1300283224 SRPDWTZAUGYIMP-CYBMUJFWSA-N 433.350 4.723 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1300341304 FPMLGEJXLXRZKY-BJKOFHAPSA-N 445.615 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1300802024 GBWINQRASVKWFO-CJFMBICVSA-N 441.620 4.717 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300937289 OAPIMMVGGJANRP-GOSISDBHSA-N 425.577 4.529 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1301118995 REUXBXZYHDFIIC-UHFFFAOYSA-N 438.963 4.666 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1301158567 IYJIRRFQTNPEPQ-LRDXPATISA-N 430.618 4.667 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1301176517 CHBVPQCUHRJHKC-UHFFFAOYSA-N 427.936 4.931 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1301234770 QEUSRJKMJCBYGR-HSZRJFAPSA-N 430.618 4.941 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@@H]1CC 1301273619 TXVGYQTWXZZWPQ-ICSRJNTNSA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H](CC)N1CCCC1 1301350962 FDAUIVMQLHLPTC-OAQYLSRUSA-N 434.563 4.546 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)C1 1304973376 FPCLMKKETBBOCI-WOJBJXKFSA-N 444.583 4.726 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)C1 1305864674 DTPZDCYJJJCWFO-UZINWLIJSA-N 434.632 4.811 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1 1307440566 OOFOFWYNLPZFEE-HSZRJFAPSA-N 435.568 4.863 30 10 IJEE C#Cc1cccc(N(CC(=O)NCCc2nc3ccccc3s2)Cc2cccs2)c1 1307562348 YKYIELOGOFEOEO-UHFFFAOYSA-N 431.586 4.705 30 10 IJEE CC[C@](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)(C(=O)OC)c1ccccc1 1310292628 HDIBKPIZVCILNH-UZUQRXQVSA-N 425.554 4.581 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2 1312853593 WKEGLMDJFCJHFL-NRFANRHFSA-N 427.589 4.606 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1312941688 HFECMKUVSXSJNO-LPHOPBHVSA-N 437.943 4.632 30 10 IJEE C#CCn1ccc(CN(CCOC)[C@@H](C)c2ncc(-c3ccc(Cl)c(Cl)c3)o2)n1 1326724705 JMGJGJGRJZMGTP-HNNXBMFYSA-N 433.339 4.688 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccn(C(C)(C)C)n1)c1ccc2c(c1)OCO2 1347909113 GFEZOUIDHUOTKT-UHFFFAOYSA-N 433.508 4.779 30 10 IJEE C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 1355820828 GJKWLMVAZBHJQS-IBGZPJMESA-N 430.552 4.959 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1CCCCO1 1358879880 ZZLUHKUUNGXQJN-HKUYNNGSSA-N 445.405 4.823 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1358907939 GZNKHHAJHLXYQG-KRWDZBQOSA-N 436.478 4.545 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC2(CCOCC2)C1 1358954146 WWRCQHXAEQHFMW-UHFFFAOYSA-N 431.005 4.500 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)CCOc1cccc(C)c1 1359086043 IBVRUBMRHAOYKE-UHFFFAOYSA-N 433.394 4.743 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCCc1ccccc1 1359118184 SOXCBEFDWHBBNE-UHFFFAOYSA-N 428.378 4.691 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](c2cccnc2)C(C)C)CC1 1359162217 JEHAKNYCWDGKSD-QFIPXVFZSA-N 447.583 4.954 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCc3ccc(O)cc3C2)nnc1C(C)(C)C)C(C)C 1359265836 MVXAJIXUESDJEF-HSZRJFAPSA-N 437.632 4.543 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ccc(F)cc1 1359477675 CRGWXMYOYRSANK-HRQSHJORSA-N 427.568 4.735 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)c1ccc(Cl)cc1F 1436652578 KZYRGTZTFKSPTQ-SFHVURJKSA-N 442.899 4.906 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@H](C)C2)cc1 1443771346 RYKOJVRXYZWZJI-XZOYJPPVSA-N 440.609 4.757 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 1456891008 AEYUZHONYTXWCH-HJWYETAXSA-N 437.348 4.586 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2ccc(OC(F)(F)F)cc2)Cc2cccs2)c1 1459721978 GGLMYMKYNIVHDR-UHFFFAOYSA-N 444.478 4.951 30 10 IJEE C=CCO[C@H]1CCN(CC(=O)N(Cc2ccccc2)c2nc3c(C)c(C)ccc3s2)C1 1459820556 RWKIJXHMOWHXQK-NRFANRHFSA-N 435.593 4.723 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCCc1cccc(Br)c1 1461203976 BCKRCZVFGIAUBH-UHFFFAOYSA-N 437.175 4.946 30 10 IJEE C#CCN(C(=O)Nc1ccc2ccccc2n1)[C@H]1CCOc2ccc(Br)cc21 1467108502 LRVANHUIKIITCJ-IBGZPJMESA-N 436.309 4.988 30 10 IJEE C=CCN(C(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1)[C@H](C)COC 1469312430 DWSOVXSZAFJVLY-QRWLVFNGSA-N 435.337 4.910 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(OC)cc1Br 1469611770 SSKQIMZKQRYPDI-HNNXBMFYSA-N 433.346 4.925 30 10 IJEE C=CCCONC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 1470617128 XNBLVYVDPCITOM-UHFFFAOYSA-N 449.743 4.685 30 10 IJEE CCN(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccsc1 1501822859 FOYARZMBEMHPTA-REWPJTCUSA-N 426.634 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1507516975 OCRPVMPIHUDEHY-SIKLNZKXSA-N 431.584 4.899 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC[C@@H]1CC 1507546728 LEXBVNBLFKQGBP-QUCCMNQESA-N 446.064 4.946 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ncc(CC)s1 1507680256 AUIZSKGJFBJORY-MRXNPFEDSA-N 439.654 4.853 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H](C)CC 1507749035 OVTMQCXYDPYBKJ-CQSZACIVSA-N 439.398 4.695 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(CCOC)CCC1 1507770890 YYASCQQZLYGZSO-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1507809313 SSOQLRIROJHANI-AYMMHLMVSA-N 430.980 4.584 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CCC)C1 1507870303 GVCJTIOXUXGCHE-FQEVSTJZSA-N 432.996 4.912 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1507897523 JYFXHQOKMTVKNF-IEBWSBKVSA-N 440.588 4.810 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1507944753 XIOYLSSLKPOEQL-LJQANCHMSA-N 440.979 4.920 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1507951691 HMIIGRPNSJYIDK-FQEVSTJZSA-N 436.560 4.516 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1Cc1nc(C(C)C)cs1 1507985980 GEUBNMCIOQPQMY-UHFFFAOYSA-N 429.615 4.829 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1507986320 MGBVHMJMVZSSJY-ROUUACIJSA-N 434.053 4.966 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1508024060 HYGGWUKMGUDGJQ-LJQANCHMSA-N 439.604 4.694 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@H]2CCCC[C@H]2C)c1 1510723177 IEIFQTVVQWBMCR-SJBKTWHCSA-N 439.604 4.665 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1 1521897939 DPJKXTAODYIFER-OAQYLSRUSA-N 430.342 4.894 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(I)c(F)cc2F)cc1 1522393288 WGXNNTPKVQZHPB-UHFFFAOYSA-N 444.240 4.652 30 10 IJEE CC(C)N1C(=O)C[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 1524075279 DYRNDFQXBXXCBI-HRAATJIYSA-N 448.325 4.619 30 10 IJEE CCc1c(C(=O)Nc2cc(C#N)c3ccccc3n2)cnn1-c1ccc(Br)cc1 1525649990 ABTVZNLGFVZRHD-UHFFFAOYSA-N 446.308 4.869 30 10 IJEE C#CCOc1ccc(NC(=O)c2csc(-c3cc(Br)ccc3OC)n2)cc1 1529313103 PNHXFLXSRGYABW-UHFFFAOYSA-N 443.322 4.846 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)COc3ccc(-c4ccccc4)cc3Cl)n2)cc1 1531353753 DBUQPPLJXUECCF-UHFFFAOYSA-N 443.894 4.536 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1536804465 GXOGIKLLHTWJMT-AEFFLSMTSA-N 430.474 4.514 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1537361825 FLJGKMGRINEABP-ZHRRBRCNSA-N 438.490 4.546 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1538199431 SJDOJJSEIWQBEH-JXFKEZNVSA-N 428.326 4.510 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 1539132924 DCJIOYVJXQLLIG-QHCPKHFHSA-N 446.599 4.777 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](CC(C)C)N(C)C 1539547156 TWQIILINXNEVAV-FDDCHVKYSA-N 431.987 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1539566779 QJBVSRQSIMDDIP-VMODYCNZSA-N 449.643 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C)C1 1539618981 CMFWVXOKMCRDTH-POAQFYNOSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOCCOC)CC1 1539878199 VPLCZHRKSLXOQY-UHFFFAOYSA-N 426.605 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1539910647 YLLNGHQZIPLASS-ROUUACIJSA-N 445.405 4.986 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1539944890 HURTZZDHGIQDJJ-JBACZVJFSA-N 425.552 4.670 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539972032 YFHFXEPBHJHGOL-JOCHJYFZSA-N 426.605 4.680 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1539975541 VTXRUGLNBCRNHD-UFYCRDLUSA-N 445.633 4.507 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1540152468 VQXLWBFFUOUJQC-VWPQPMDRSA-N 431.694 4.965 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCc2ccccc2)C1 1540887043 OOOVUEKAWULBGP-OAQYLSRUSA-N 437.975 4.798 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1ccsc1)N(C)C 1541106886 CBULCLFJFAAFFG-LPHOPBHVSA-N 434.569 4.652 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)cc1 1541121293 GWQNKCKAOOQBMK-PWIZWCRZSA-N 429.996 4.689 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CCSC(F)(F)F 1541512976 CIZZCYDTAHVMIT-UHFFFAOYSA-N 436.507 4.836 30 10 IJEE CCc1csc(-n2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)C)C4)cn2)n1 1544582670 FFJHVFBAIFQSHN-CYBMUJFWSA-N 425.583 4.838 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1545498628 CMWPWLYCBRNHAY-SANMLTNESA-N 442.600 4.909 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(C)cc3)ccc2c1=O 1558962460 TYJXIZHRPMITIG-SFHVURJKSA-N 447.482 4.603 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2F)C(C)=O)nc2sc(C)c(C)c2c1=O 1559328581 GHNAEGIPOZSLOQ-KRWDZBQOSA-N 434.533 4.831 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@H](N4CCCC4)C3)c2C#N)C1 1559483973 CIAMLHWITYQSAL-OALUTQOASA-N 442.673 4.660 30 10 IJEE C#C[C@H](NCc1cc(Br)c(OCc2ccccc2)c(OCC)c1)[C@@H]1CCCO1 1560446304 HASCWYUWGAQMLL-SFTDATJTSA-N 444.369 4.697 30 10 IJEE C=C(C)COc1cc(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2C)ccc1OC 1560467728 RQAJGPMITGIRIU-UHFFFAOYSA-N 432.586 4.647 30 10 IJEE N#Cc1cc(S(=O)(=O)NCc2ccccc2SC(F)(F)F)ccc1C(F)(F)F 1562002501 BFJOGOTYKMDKDZ-UHFFFAOYSA-N 440.390 4.667 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](CO)[C@@H]1CCC[C@@H](OC)C1)c1ccc(C(F)(F)F)cc1 1564406783 NZFSCWLILUHQFE-RSPOEFSDSA-N 428.495 4.578 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 1568809609 LVZRMSOJZXMWJL-UHFFFAOYSA-N 428.414 4.734 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 1587496202 DZKZNBHYLIIQMQ-DEOSSOPVSA-N 445.950 4.942 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1587813037 HGAIARKNDIWJCB-FPOVZHCZSA-N 431.584 4.857 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CCCC 1587915929 WEBWZOFIAJJFFM-GOTSBHOMSA-N 437.632 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)(C)CC1 1589568601 LGDQWQXMHKWDIW-AVRDEDQJSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCN1CCC 1589641323 IEGLSWKVZZBYKV-DEOSSOPVSA-N 447.631 4.798 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CN2CCCCCC2)CC1 1593643270 TZLNUNVKLXDRGY-UHFFFAOYSA-N 443.586 4.816 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cc(Cl)ccn1 1594703179 FDFPYRLTUJYTDZ-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1594709038 GUGZEDWCQIHLIB-JOCHJYFZSA-N 437.632 4.868 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1 1594727538 RGEJHFUHFWFPMA-CQSZACIVSA-N 425.396 4.599 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(C)(C)OC[C@@H]1C 1594793791 SGWOCLIGAALXRX-SFHVURJKSA-N 444.645 4.872 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C)CCC1 1595127461 QCISDCTYZWISOM-RUZDIDTESA-N 442.579 4.841 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCSC1(C)C 1595260926 NIOLKTNSHKFLCX-QUCCMNQESA-N 430.618 4.880 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(C)CCCS2)C1 1595744353 LKFKQSNNWVDLMP-HYBUGGRVSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 1595850360 LJYYRWWNYZEAKY-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C=CCCC[C@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C)C(=O)OC 1596242650 BITKPVXVORIIFX-HNNXBMFYSA-N 426.460 4.765 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)C(=O)OCC 1596778210 PJWAOJDJEQCEAV-LJQANCHMSA-N 439.899 4.516 30 10 IJEE N#Cc1ccc(S(=O)(=O)CCN2CCC(Cc3cc(Cl)ccc3Cl)CC2)cc1 1615756152 GMFWDZLHERQKJH-UHFFFAOYSA-N 437.392 4.593 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)C1 1616614169 DIFPRMNPGAYFKO-JOCHJYFZSA-N 437.588 4.560 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C1 1616994042 HINDDRFZZYJOMG-FQEVSTJZSA-N 443.542 4.895 30 10 IJEE C=CCOc1ccc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1OC 1620720023 WLEBNGMJBBZCMX-FQEVSTJZSA-N 448.485 4.732 30 10 IJEE CCc1cccc(Oc2ccc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cn2)c1 1622892640 GAZXCBIOWQVMJU-UHFFFAOYSA-N 427.508 4.662 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N=[S@@](C)(=O)c1ccc(N(C)C)cc1 1624102669 WFPPEKAVQDBOKD-LJAQVGFWSA-N 426.460 4.633 30 10 IJEE C#Cc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)C(F)(F)F)cc1 1627492579 GRBJTYUMNCARKO-UHFFFAOYSA-N 440.759 4.808 30 10 IJEE CC(C)(Cc1ccc(Br)cc1)NC(=O)CCCC(=O)Nc1ccccc1C#N 1627830183 FTWJDOZBLRDHIL-UHFFFAOYSA-N 442.357 4.567 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 1629760278 OWJUCYBRXRLABQ-FQEVSTJZSA-N 438.524 4.544 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 1631949268 ZUJBGBGMPYSTJE-LJQANCHMSA-N 442.947 4.576 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1633640859 IWHQJTLWBFQAMZ-RVKKMQEKSA-N 435.362 4.725 30 10 IJEE C#CCN(C(=O)CCCC(=O)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1633712901 FNUHCBWAEDFJMW-FQEVSTJZSA-N 440.337 4.788 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1636571818 VJSZLYAUPZNOST-ZWVMISQRSA-N 449.954 4.629 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(Oc2cccc(Br)c2)ccn1 1636632473 WKVCOZGCSDAHIF-IBGZPJMESA-N 429.314 4.776 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1636700557 UNNWPEKFBPLGIS-SFHVURJKSA-N 441.369 4.973 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 1637451851 PBGUWHMWQZTVPY-HNNXBMFYSA-N 431.414 4.827 30 10 IJEE N#CC[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)C1 1640337081 GIBGIBFJLWLAGR-HNNXBMFYSA-N 435.325 4.825 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1641354089 PNZGARCPSNOWLU-WIYYLYMNSA-N 442.581 4.669 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OCC)C(C)C)nc2scc(-c3ccccc3)c2c1=O 1643476298 IEZBGDMAVZHBBM-GOSISDBHSA-N 428.579 4.991 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCSC[C@@H]2C(C)(C)C)n(-c2cccc(F)c2)c1C 1644304980 DNPSZYSIJIZDIO-HXUWFJFHSA-N 428.577 4.507 30 10 IJEE C=CCn1c(Sc2ccc(C#N)c(Br)c2)nnc1-c1cccc(OC)c1 1650840373 OFIKGAOKBHMEAH-UHFFFAOYSA-N 427.327 4.925 30 10 IJEE C#CCN1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1 1651554836 WWLUIWGIFQPZFZ-HSZRJFAPSA-N 430.621 4.839 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2Cl)nc2sc3c(c2c1=O)CCC3 1652448077 ZAVFPWIJEHYRRP-UHFFFAOYSA-N 446.981 4.865 30 10 IJEE C=CCN(CCc1ccco1)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 1653044111 GKEQLUYYEIUPDS-IAGOWNOFSA-N 444.597 4.700 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCc2c(F)cccc2Cl)CC1 1653176612 HVUWRKSQTVSZGV-FQEVSTJZSA-N 436.756 4.667 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2c(F)cccc2Cl)nnc1-c1cccc(OC)c1 1656343761 ICFADFYZGGKPAF-SFHVURJKSA-N 447.919 4.939 30 10 IJEE Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)ccc1C#N 1663655973 AHWRBNRYRROPEE-HNNXBMFYSA-N 447.276 4.601 30 10 IJEE C=CC(C)(C)CCCNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1665920016 QPUWICCGKGPDED-UHFFFAOYSA-N 429.405 4.843 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(C)=O)c(C)c1)[C@H]1CCOc2ccc(Br)cc21 1668040052 FSWMEQHQSCFDPH-FQEVSTJZSA-N 441.325 4.951 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cn(CCCC)nc1C)c1ccc(C(F)(F)F)cc1 1668176554 LAVCHKWMXOTQPM-GOSISDBHSA-N 429.508 4.996 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](Cc2cccnc2)C2CCCC2)cc1 1668389935 XKYMJKDKWUPRHJ-XMMPIXPASA-N 432.568 4.819 30 10 IJEE CN1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1Cc1ccccc1 1669013312 DPSBOUCGQATDCR-QHCPKHFHSA-N 426.520 4.741 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)COC(=O)N2 1673094116 PQHWUQNSZOIJJB-UHFFFAOYSA-N 434.265 4.870 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)C2(CO)CC=CC2)cc1 1673820088 RYIQBRFOYAYDPN-XMMPIXPASA-N 445.563 4.692 30 10 IJEE C#CCOc1ccc(NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C(C)C)cc1 1674518602 FFRHUGFKJFSLMH-JOCHJYFZSA-N 432.520 4.534 30 10 IJEE CC(C)COc1cc(NC(=O)NCc2ccc(OCC#N)cc2)ccc1Br 1675103237 AJBYJJZFVFGJMG-UHFFFAOYSA-N 432.318 4.708 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCC(Oc2ccccc2I)CC1 1680750351 GIYSGDZLENSLHH-HNNXBMFYSA-N 442.341 4.589 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 1683289115 NOBFUTGNHOLUKB-NRFANRHFSA-N 426.532 4.861 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1686923232 ZRJLMGISUXJESO-VQIMIIECSA-N 437.943 4.584 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cn2ccc(C)cc2n1 1690058890 CZMMULRUHNVPGA-SFHVURJKSA-N 448.958 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1ccccc1OC 1690241919 YYFAQVJWNCLQCB-NZQKXSOJSA-N 436.556 4.515 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1690280355 IACSJZIPDYVUCD-PZJWPPBQSA-N 446.599 4.591 30 10 IJEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 1690364824 YEZGIMBGROPWPT-CUWPLCDZSA-N 430.980 4.931 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690380491 OZHYIAXJLACOIQ-ZRZAMGCNSA-N 437.632 4.690 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCOC(C)(C)C)CC1 1690406328 BHGKLZHHAXCCBU-UHFFFAOYSA-N 442.604 4.960 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1690597003 HAMXSYTVTWHPHB-DEOSSOPVSA-N 440.975 4.818 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCSC(C)(C)C2)cc1 1690680682 YNYQTWYNLKNIOT-UHFFFAOYSA-N 435.597 4.593 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@@H](COC)C1 1690738783 YHDQSJSXEYSPEF-LJQANCHMSA-N 437.613 4.665 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705527329 UZZVCMUZJQWWIG-RBUKOAKNSA-N 445.405 4.761 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1705545835 PKYRCVVVASPPJS-UHFFFAOYSA-N 439.604 4.615 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCC[C@@H]1CC 1705593382 PKGBUIHDARVOKB-RBBKRZOGSA-N 434.584 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1ccco1)N(C)C 1705711591 ADOAJPOPNNLZAT-IBGZPJMESA-N 443.979 4.905 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccnc(SCC)c2)CC1 1705771823 FYPPEACWEPLDDB-TZIWHRDSSA-N 441.645 4.908 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N(CC)Cc1nc(O)c2sccc2n1)c1ccccc1 1705795790 RCBAKIMAIJUGBX-SFHVURJKSA-N 434.569 4.683 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 1705799077 LMFWTLBFMLLEDZ-UHFFFAOYSA-N 434.588 4.638 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCc1cc(C)cc(C)c1 1705868736 ZLZQYYOWSLNOFE-UHFFFAOYSA-N 449.624 4.514 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)cc1F 1705880687 MROYVCSQTDXMDO-UHFFFAOYSA-N 425.895 4.942 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@@H](SCC)C1 1705942063 GUPXRDSTUYELTK-HXUWFJFHSA-N 432.659 4.985 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCO[C@@H](C)C1 1706462114 BQGOUPIZWFLPBJ-FPOVZHCZSA-N 427.568 4.589 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(c2ccccc2C)CCOCC1 1708450841 FAKRMONHTGGPEH-HXUWFJFHSA-N 435.616 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@@](C)(CC)O1 1722283087 QHPMCRSMTKMHNL-CMPZQBNXSA-N 449.368 4.652 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1722533791 ZQZMYDQAOPUJAU-YADHBBJMSA-N 431.669 4.550 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1722545340 BJUBOXNRFYICFB-GUYCJALGSA-N 437.769 4.848 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](CC)N2CCCC2)CC1 1722579015 GJZXNGBTCYZWCI-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722588824 FSISPUQHXAURFW-UHFFFAOYSA-N 449.643 4.637 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCNC(=O)[C@@H]1CC 1722601282 TZSCWLONBLOFIO-INIZCTEOSA-N 444.004 4.884 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)c1nccs1 1722607416 BNSRAIOXXQSQOS-GOSISDBHSA-N 438.601 4.810 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722612056 OSAHMNOBHXOLLU-GDBMZVCRSA-N 437.357 4.817 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(CC)CCC2)C1 1722711653 WFCXSPOVGJCASK-MOPGFXCFSA-N 428.552 4.919 30 10 IJEE C[C@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)C1 1726501871 IECQOETUNJSVHE-LSDHHAIUSA-N 439.507 4.607 30 10 IJEE CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1)OC 1727251437 FGNKJSWLGIAASC-TZIWHRDSSA-N 425.577 4.590 30 10 IJEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC)CCCC2)C1 1728166851 AZBVCUVNTQZTRI-QFIPXVFZSA-N 448.615 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1ccc(Cl)s1 1740531774 SROXQUJQDPSNOY-INIZCTEOSA-N 441.988 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)Nc1ccccc1 1740539065 MWMBGWTYPWCTSG-MSOLQXFVSA-N 447.608 4.618 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1740540229 ILGYUQZMGLYJRG-OFNKIYASSA-N 431.584 4.786 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCSC 1740540347 YWFCTSIKMCUBOR-INIZCTEOSA-N 425.627 4.978 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H](OC)C(F)(F)F 1740557852 AQJGOBZIYCVKDF-CZUORRHYSA-N 446.926 4.649 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCn1cccn1 1740567172 HSPMUDAVBHVNKZ-UHFFFAOYSA-N 445.596 4.513 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740580446 YDNDDGVAOWGQFH-XMMPIXPASA-N 445.007 4.955 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCCc1ccnc(C(C)(C)C)n1 1740771754 CEBQIZXSKDGYBQ-FQEVSTJZSA-N 426.609 4.642 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1740816568 HXZSNQGJINZUQZ-JLHGSKIFSA-N 436.000 4.872 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1740824030 SQMPWTIZKPTEDQ-RTWAWAEBSA-N 429.996 4.632 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCCN(c2nccs2)CC1 1740859515 LVTDACLAZIOCGP-UHFFFAOYSA-N 426.565 4.614 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C)(C)CC1 1740861832 AURQWVGBSJZTFJ-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC[C@H]1C 1740871312 AJYGENHIGMTYPC-CQSZACIVSA-N 437.407 4.624 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCc2cc(Br)ccc2C1 1740878256 UKOZGFDJXUNTGW-UHFFFAOYSA-N 438.373 4.555 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@H](C)C1 1740883733 DFPCBQCXIXMKBP-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740887874 FJUCVSXKSDODQE-BGYRXZFFSA-N 448.558 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1740919754 QUAJKGBILZXEDU-UHFFFAOYSA-N 441.595 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(O)c1cccs1 1740923869 YDRMTCBFYLMMEG-XMSQKQJNSA-N 444.626 4.743 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@H](F)C1 1740932861 XLTGRJSRHBJFJW-ZCNNSNEGSA-N 447.599 4.709 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2(F)CCC2)C1 1740973505 YNTNDYILCPXTSC-QZTJIDSGSA-N 432.515 4.621 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@@H](C)CC#N)n1 1742517254 CAJBHFOZHQDDHQ-RDJZCZTQSA-N 447.568 4.907 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(C)C 1746231617 CJVMDOKFVQXBDZ-NRFANRHFSA-N 446.580 4.801 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1748718107 ODYKHAYDAGNJNN-SFHVURJKSA-N 429.634 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CC(O)(CCC)CCC 1749060782 CFSUWLOUSDANJH-RUZDIDTESA-N 431.584 4.817 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CC(C)(C)N1CCC[C@H](C)C1 1749072429 NLMYLYQCPNZRFM-NEKDWFFYSA-N 447.671 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1Br 1749129443 DHNAUXBIYKVOIU-RXVVDRJESA-N 447.421 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C)CC1 1749135284 DHOWJFMDTJCIIV-YYDVJCTNSA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@H](CC)C1 1749368286 GDMFJWBQSZRDEC-YLJYHZDGSA-N 428.602 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1749370847 QPCSXEVDHRYGFE-UHFFFAOYSA-N 447.631 4.596 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CCC1 1749430355 SANMJWSFSKPDPG-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N(C)C 1749548791 JRQSRKZKFAGXIC-OAHLLOKOSA-N 433.984 4.942 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(C)cs1 1760326807 ZYDOFGLFYWFCIZ-RXVVDRJESA-N 428.627 4.918 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCCCC)CC1 1760384655 BSLGBWSBBIFWFR-UHFFFAOYSA-N 428.540 4.595 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(CC(C)C)c2C)CC1 1760393404 PSJJQTODPWNCRS-FGZHOGPDSA-N 440.636 4.562 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1ccsc1Br 1760478544 LPHBDSXILXQIJH-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCOC[C@H]1C 1761077744 HDWJFICXNKHIQV-GGAORHGYSA-N 448.615 4.720 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(C#N)C1)OC 1762128602 HTTUUDQMPZBNLK-QFIPXVFZSA-N 445.995 4.942 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCC1CC(OC(C)(C)C)C1 1767061592 AMGPNWYVKHQISU-UHFFFAOYSA-N 432.572 4.765 30 10 IJEE CN(C)c1ccc(/C=C2\SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1 1772757822 LIKYMHUXRXYQDF-KOVAUFKDSA-N 430.533 4.852 30 10 IJEE Cc1cccc2cc(C#N)c(SCC(=O)N3CCN(c4cccc(Cl)c4)CC3)nc12 1858203190 VAVHIOKIACJUOF-UHFFFAOYSA-N 436.968 4.509 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 1862384129 PHAIRBAYHDYAAE-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396623 JGIDTPAAYMQOAU-QHCPKHFHSA-N 435.564 4.897 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862480102 XXQMAIDSPPROMU-NRFANRHFSA-N 447.512 4.622 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc(Cl)c1O 1862485224 YDVVYNJAPWTZPW-FQEVSTJZSA-N 441.911 4.884 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1C 1862507971 VWPKBIATFDSPQN-QHCPKHFHSA-N 438.543 4.753 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862532347 BSHIPOPWNHNSTR-QFIPXVFZSA-N 433.504 4.858 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc3ccccc23)cc1OC 1862575096 XUERWDZHKOOLJZ-HSZRJFAPSA-N 431.488 4.844 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc2ccccc12 1862631451 PRNNZLANBBYZCI-QHCPKHFHSA-N 429.472 4.803 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 1862652017 DKRSCECTXWVZSJ-GKVSMKOHSA-N 437.495 4.952 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OCC)c(OC)c1 1862669768 DXDDUBFGQSXYPW-HSZRJFAPSA-N 435.520 4.982 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862690591 BZMNRHQMBKBPBO-XMMPIXPASA-N 438.483 4.955 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905439 NGAOGJUOHJUDSR-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CC(C)Oc1ccccc1NC1=C(c2cccs2)C(=O)N(c2cccc(C#N)c2)C1=O 1863112392 BCBWJKMSZUYKQG-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(C2CCCC2)C1=O 1863392009 KZMCTXQVUHJKLI-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(CCc2ccccc2)C1=O 1863452250 DVGMLSTXAYPDCD-UHFFFAOYSA-N 427.891 4.646 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCOC)=C(c2c[nH]c3ccccc23)C1=O 1863817029 PIDWNGQVXKBEBN-UHFFFAOYSA-N 425.573 4.625 30 10 IJEE C[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccccc1C#N)C1CCCC1 1867021163 KWXDABKUHROILN-MBSDFSHPSA-N 435.593 4.741 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCCc1cccc(Cl)c1 1868953893 JTDZFASISQULRQ-QHCPKHFHSA-N 442.962 4.730 30 10 IJEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)cc1 1870153124 CSQDKVQGGKLEIH-UHFFFAOYSA-N 425.448 4.582 30 10 IJEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCOc1ccccc1)C3 1871346659 PYLKTLSVCFXMBY-IWIPYMOSSA-N 443.499 4.851 30 10 IJEE Cc1ccccc1CN1CCN(Cc2c(O)cc(C)c3c2O/C(=C\c2ccco2)C3=O)CC1 1871398905 VTEOLXRTWSJWOB-IWIPYMOSSA-N 444.531 4.536 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)cc1 1871447845 DZEARSDWIKWILN-FMCGGJTJSA-N 433.891 4.960 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1871944019 PTBUAQLERVTEEK-QGZVFWFLSA-N 447.409 4.895 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)CC 1872016612 SUVUQLPTGQFALH-JOCHJYFZSA-N 428.598 4.892 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872353672 POQDJKRAHORIFO-INIZCTEOSA-N 440.487 4.526 30 10 IJEE Cc1ccc(C)c(OCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c1C 1872773082 KQIVPXHYSPNGAT-SFHVURJKSA-N 434.517 4.762 30 10 IJEE Cc1nc(SCc2cccc(C(=O)NCCCCN3CCCC3)c2)c(C#N)c(C)c1C 1872893240 NVCGJFKPVBUPNE-UHFFFAOYSA-N 436.625 4.777 30 10 IJEE Cc1ccccc1CSc1nnc(C)n1/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12 1873500754 BWQNYADONVCJTJ-AUEPDCJTSA-N 439.928 4.902 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874230950 LAHCEBARNHPIBA-WSDLNYQXSA-N 443.916 4.887 30 10 IJEE C(=N/n1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)\c1ccncc1 1874315740 INDHAGXALCDDPP-NHFJDJAPSA-N 443.576 4.902 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874342960 RQRDOEAXVQWXBF-YDZHTSKRSA-N 446.960 4.629 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(SCCO)nnc1[C@@H](C)c1ccccc1 1874397825 LBRIZCDCFXQJHT-XUANBZSPSA-N 432.549 4.558 30 10 IJEE CC(=O)NCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cccc2ccccc12 1874434126 OTJGKXIYTHTTCG-MZJWZYIUSA-N 443.576 4.859 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1O 1874451055 QOLOYIGURKNYIW-BYWZACNXSA-N 444.944 4.672 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)c(C)c1 1874469132 PHLGTTICTFBVGJ-DHRITJCHSA-N 449.511 4.907 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccs2)cc1C 1874493568 UBBXXGSJDGAPSN-WSDLNYQXSA-N 425.583 4.837 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CCC1 1874495005 PEBHFHLUEJUCOF-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE C=C(C)CSc1nnc(C)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874532317 FAEQOTMPDBYBKY-AWQFTUOYSA-N 439.379 4.695 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccccc1C 1874560232 NGVVOTYASOZEJA-LSCMLXDISA-N 438.553 4.587 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2CC(C)(C)C)c1OCc1ccccc1F 1874560273 PCANCGZXXFFVNH-ZMOGYAJESA-N 428.533 4.764 30 10 IJEE Fc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc(Cl)cc1Cl 1874571023 STSNRYCQOXAKHM-SSDVNMTOSA-N 425.316 4.907 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(F)cc1F 1874692969 GUPLSBLTEJRPCB-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)c(Br)cc1OC 1874706921 GPZXQQSAAQZSFZ-FNORWQNLSA-N 437.261 4.817 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875100526 GAZXJDLPWNUGKJ-MDZDMXLPSA-N 427.453 4.850 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)cc2)cc1C 1875107242 GWNBTTPUYDTJKU-GXDHUFHOSA-N 432.472 4.893 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cccc(F)c2Br)NCC)C1 1892694548 FMGUBJPHLGHENR-INIZCTEOSA-N 427.358 4.722 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C#N)(CNC(=O)OC(C)(C)C)C(C)C)cc1 1944401464 WKIUMLYTWVVYSC-HSZRJFAPSA-N 433.549 4.880 30 10 IJEE C=CCN(CC(=O)Cc1cc(Br)ccc1Br)C(=O)OC(C)(C)C 1982458126 RWTJUVIRUNNHCB-UHFFFAOYSA-N 447.167 4.746 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 1983329796 AHUXKZIQJGNSHT-UTKZUKDTSA-N 427.463 4.764 30 10 IJEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)c1ccccc1 1984692763 TWHDJAPBNDIYAE-LJQANCHMSA-N 439.515 4.860 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCCC1 1994205680 FCBKXHDNPYZXML-UIOOFZCWSA-N 444.575 4.858 30 10 IJEE CC#CCCCC[C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2019508986 JWXIQWKZSJVWOT-DNQXCXABSA-N 429.649 4.964 30 10 IJEE N#Cc1ccc([C@H](OC(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CC3)C(N)=O)cc1 2065304403 YOICSXNYLHIDAQ-VWLOTQADSA-N 449.466 4.570 30 10 IJEE N#Cc1ccccc1S(=O)(=O)OCc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 2087918795 OQLNNSZMPUIWCY-UHFFFAOYSA-N 444.871 4.509 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)c1 2101335194 AEVXMIAPKGCAHV-MRXNPFEDSA-N 442.365 4.777 30 10 IJEE C[C@@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1c1cc(Br)c(C#N)cc1F 2174809543 BCIHCSWNCQKJLU-KGLIPLIRSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(CCCCN2c2cc(Br)c(C#N)cc2F)C1 2174814742 KZRRECYWBVDELM-UHFFFAOYSA-N 438.341 4.876 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2235727358 QILGIWMQYLXTKU-GDBMZVCRSA-N 449.311 4.577 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CC(C)C1 2235730528 VNOUMBQIBRQKJQ-UEUGHCDMSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C 2235736578 ZGORRQWZSWISSY-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCN(Cc1ccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267581182 OCGHFZBWJIVRMN-OALUTQOASA-N 444.381 4.864 30 10 IJEE C=CC[C@]1(COc2cc(F)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272142500 ABRSHBXKNJHURF-IBGZPJMESA-N 429.330 4.753 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 2296124606 KRTZTSBBFUMAHJ-IBGZPJMESA-N 434.319 4.760 30 10 IJEE CC(C)n1ncc([C@@H](N)C#Cc2ccc(Br)cc2)c1NC(=O)OC(C)(C)C 2296302577 LDPSQKQBRNGFDP-KRWDZBQOSA-N 433.350 4.625 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(N(C)C(=O)OC(C)(C)C)nc1 2296303157 RUEHOJPVRQKFGH-SFHVURJKSA-N 430.346 4.528 30 10 IJEE CCCOc1cccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 2296924088 SIPGXNPIFUCNCD-NRFANRHFSA-N 434.517 4.554 30 10 IJEE CCOc1ccc(C=CC(=O)c2cc3cc(Br)ccc3oc2=O)cc1OC 2297413734 OKVWRUZEUAUSEA-UHFFFAOYSA-N 429.266 4.859 30 10 IJEE CC(=C1SC(=Nc2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 2314548934 YPDHYMJNKJYEIL-UHFFFAOYSA-N 437.506 4.953 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccccc2CC)cc1 2321090498 XWNRLYPCEAFONZ-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1OC 2323648483 HXXDMNYMYHRZEF-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCC(=O)NCCC 2323739697 GERGNCDQEZJZNG-UHFFFAOYSA-N 429.463 4.503 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)NCc1ccccc1 2324456001 IEPOPECVUSRMIS-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccccc3)ccc2OC)cc1OC 2325730879 JNRPJZRMFCXXKM-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCCO)n2N=Cc2ccccc2Cl)cc1 2327220527 SMSYDBWLIHNBEA-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1N=Cc1ccc[nH]1 2328280186 RXOMDMBFFOPNOD-UHFFFAOYSA-N 437.500 4.507 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(F)cc1 2330865819 RBMKSTTZQCMWMW-UHFFFAOYSA-N 433.597 4.629 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1)Nc1ccc(F)cc1 2331493203 HUQOQOODVRWOBB-UHFFFAOYSA-N 443.935 4.951 30 10 IJEE OCCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331544541 QOFZJZNLKBGNLP-UHFFFAOYSA-N 442.972 4.745 30 10 IJEE CC(C)CN(CCNC(=O)OC(C)(C)C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339534782 IDISXBPXPXGBMT-UHFFFAOYSA-N 445.413 4.713 30 10 IJEE CC1(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)CC1 2339603093 USRQMBFNUFNIEX-SDNWHVSQSA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@H](O)C#Cc3ccccc3Br)C[C@@H]21 2359586079 JVLTZFUAJNQIDI-KVPLUYHFSA-N 434.374 4.587 30 10 IJEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(Br)cn1 2362198402 HDPXDNCQCLIYEJ-MRXNPFEDSA-N 436.281 4.998 30 10 IJEE Cc1cc(CNCc2sc(C)cc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675203 DIHRYWTULGZHCV-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 16717433 VJBMWZNFHCRFGQ-INIZCTEOSA-N 447.585 4.897 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCC(=O)c3ccccc3)nn1[C@@H]2c1ccccc1 20850091 ZEMYZMGQLNIPID-JOCHJYFZSA-N 444.560 4.911 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)o1 21081054 NKCXBPJFETWXMF-AWQFTUOYSA-N 439.328 4.580 30 10 IJEE CCOc1cc(Cl)c(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1OC 35657215 FRESBFIIDNAMLF-XQGMVTDFSA-N 446.912 4.679 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 41292787 ISBCNSDEPMAQMP-JJFYIABZSA-N 434.419 4.987 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3cccc(C(F)(F)F)c3)S2)c(C)c1 100262240 FKBLCUUSKPGXJU-OTMWDORNSA-N 435.471 4.912 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)S/C(=C\c2ccc(OC)cc2OC)C1=O 103170120 UGYJFYADCJDHDS-WQRHYEAKSA-N 445.924 4.901 30 10 IJEE O=S(=O)(N/N=C/c1ccc(OCCCc2ccccc2)cc1)c1ccc(Cl)cc1 169903043 WLOIRLYETWMGTJ-JJIBRWJFSA-N 428.941 4.664 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OCC)c2)c1 170038687 LQUJVAFCUXRMFE-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1 170048194 SZFRASNYMOPPJI-DEOSSOPVSA-N 438.483 4.955 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 170092537 WJVPQYVHYPCHRM-SFHVURJKSA-N 442.786 4.763 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(N(C)C)cc1 170128831 MZVKAUXREFALFG-NRFANRHFSA-N 442.943 4.793 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccn2)c1 170170312 MWKZJDQWOWKHOU-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)c1 170175781 KFQLYEUNRCBNID-HSZRJFAPSA-N 439.471 4.525 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)c(C)c1 170187294 SWKLBDFWBIGZFR-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccnc2)c1 170191415 HBCGZVBYISXCPM-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)c1 170203291 BTIWPTNNOFYNLN-HSZRJFAPSA-N 428.488 4.899 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(O)c1 170259611 QVVOMRCRKATBOP-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccco2)cc1C 170288117 ZMRZZAXHQPDEKH-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccco2)cc1C(C)(C)C 170293432 FTFWCBHZVNDGIK-OAQYLSRUSA-N 441.524 4.591 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(C)o2)c1 170300157 PLSWQDWFKDGNJR-HSZRJFAPSA-N 429.472 4.923 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccc(OCCC)c1 170323426 JTFLOZNMAGPHAS-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1cccs1 170423790 HLUHQLUBAWBSOF-HXUWFJFHSA-N 439.920 4.928 30 10 IJEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccc(O)cc3)sc2c1 170451108 PIUHRFCWVAGYLJ-FQEVSTJZSA-N 438.505 4.526 30 10 IJEE CC(=NNc1ccccc1)C(=NNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C 254869331 UXPPAEYGNBNANO-UHFFFAOYSA-N 430.468 4.798 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 407364450 TXQIEDFMFFWOJR-HZPDHXFCSA-N 433.337 4.717 30 10 IJEE CCCc1c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cnn1-c1cccc(C#N)c1 440081151 PIYFPJGYPDVCSL-DEOSSOPVSA-N 427.508 4.610 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(CC)Cc1ccccc1Br 460958784 INLFXJUYFBBZOV-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE C=CCC[C@H](NC(=O)N1CCS(=O)(=O)C(CC)(CC)C1)c1ccc(C(F)(F)F)cc1 464371371 BGYKQPXOAYADJC-SFHVURJKSA-N 446.535 4.712 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1cc(C)c(F)cc1F 489637922 BHPWHSPFFAMNLS-UHFFFAOYSA-N 429.492 4.913 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 508906888 IUXYXALVEYOYTH-LJQANCHMSA-N 437.613 4.695 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)s2)cs1 560430065 ZJSNJNDEOGDISE-UHFFFAOYSA-N 440.569 4.724 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)c1ccc(OCC(C)C)cc1 586257095 CBBBSIXNWFPQFP-UHFFFAOYSA-N 436.961 4.882 30 10 IJEE O=C(c1ccccc1)c1cc(I)ccc1/[N+](O)=C/c1ccccc1 617901374 KXOUABXFNDCNGY-HMAPJEAMSA-N 428.249 4.675 30 10 IJEE C#CCN(C[C@H](NCCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 689646801 SIHSELAFSWHWRL-HNNXBMFYSA-N 431.321 4.638 30 10 IJEE COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728297489 GVEJLCCWTQACRX-MSOLQXFVSA-N 447.510 4.963 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccccc1NC(=O)c1ccsc1 735339702 OHEPNEBWLRUFPK-UHFFFAOYSA-N 426.881 4.913 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 741569139 YGYHANRAYCUZLC-KNQAVFIVSA-N 430.470 4.530 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 744028520 JJBUFFHBKAZKNT-IBGZPJMESA-N 437.515 4.896 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)n2)c1 777718892 HXPSTBFIRFAXNB-UHFFFAOYSA-N 446.507 4.617 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CCCN1C(=O)OC(C)(C)C 790663274 MHMQSIITYQUUAM-MZNJEOGPSA-N 425.529 4.865 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cn(C)c2ccc(F)cc12 796384121 LWXWQCAVTPJRQU-AWEZNQCLSA-N 425.485 4.507 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](c2ccccc2C)C[C@@H]1C 809889836 MVMGMGXUGQLFTP-UNMCSNQZSA-N 445.567 4.581 30 10 IJEE Cc1cccc(CSc2nnc(NN=Cc3cccc(Oc4ccccc4)c3)n2N)c1 1083985459 SGQBSDNLFLIWCP-UHFFFAOYSA-N 430.537 4.831 30 10 IJEE CCOC(=O)c1ccc(N=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1084276408 RJQVRLWDHYHCGH-LJQANCHMSA-N 430.504 4.870 30 10 IJEE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCc2ccc(Br)cc2)n[nH]1 1084291332 FPPRJGNZEKGDNU-UHFFFAOYSA-N 448.394 4.700 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1 1084438804 GZGPKMOJZZLJCU-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3I)S2)cc1C 1084458486 XUIYPTITEWOLON-MHWRWJLKSA-N 434.302 4.800 30 10 IJEE COc1cc(Br)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1OC 1126484765 DNSNDIKXSGWOPA-UHFFFAOYSA-N 429.192 4.609 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 1129123266 DVJFKMAMOMYDKZ-UHFFFAOYSA-N 439.490 4.929 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1129202533 DOEWNTWYHOUNTG-CQSZACIVSA-N 436.537 4.645 30 10 IJEE CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Br)c(C#N)n1 1130237160 GARFHBCKCXNXKL-LBPRGKRZSA-N 426.236 4.942 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 1142217061 WGRUVKDZVLGTHH-ICSRJNTNSA-N 432.561 4.741 30 10 IJEE C=CCn1c(S[C@H](C)c2n[nH]c(CC)n2)nc2scc(-c3cccs3)c2c1=O 1164509892 OANQWJUJEPXERN-LLVKDONJSA-N 429.596 4.906 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C 1167373385 VLSYWHMHPGPYSV-XZOQPEGZSA-N 443.632 4.605 30 10 IJEE CC(C)c1cc(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nc(C(C)C)n1 1185906344 HDFQNCDQAQPJEN-HXUWFJFHSA-N 442.405 4.873 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCCC(C)C)nc2cc(-c3ccccc3)sc2c1=O 1188423635 OUULKOCMUBVBMG-INIZCTEOSA-N 441.622 4.954 30 10 IJEE CC(C)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1192971957 GPCSQGUYZGCIFE-UHFFFAOYSA-N 441.778 4.821 30 10 IJEE CC(=O)c1cc(OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 1213593627 DHOYFXHGVBVHBK-UHFFFAOYSA-N 430.297 4.834 30 10 IJEE C#C[C@H](NC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccc(Br)cc1 1230498746 JOTMWGJBPYHPBP-LEWJYISDSA-N 439.353 4.687 30 10 IJEE C#CCN(C(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1)[C@H]1CCCc2ccccc21 1230590065 SMOVIKWHBYHHPF-FNZWTVRRSA-N 426.564 4.834 30 10 IJEE C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1(c2ccccc2)CCCC1 1269457278 GVLQLMARNADZMM-MRXNPFEDSA-N 427.342 4.716 30 10 IJEE C#C[C@H](NC(=O)c1nc2ccccc2cc1Br)c1ccc(Br)cc1 1275474771 REXZVINDZYGWSW-INIZCTEOSA-N 444.126 4.864 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1286323952 KHUQOUCAERVXBX-WCRBZPEASA-N 441.620 4.716 30 10 IJEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCC=C)CC1 1286487873 QINCJHLMBTYBDY-UHFFFAOYSA-N 447.627 4.565 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1286496171 AENAZBRSMSOGOP-GOSISDBHSA-N 430.593 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1Cc1ccc(Cl)s1 1286527763 QYPUJKVRNIRVDD-JOCHJYFZSA-N 426.973 4.921 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286542913 DXYHWLBWXJLDJQ-YOEHRIQHSA-N 448.236 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN([C@@H](C)c3ccsc3)CC2)nnc1C(C)(C)C 1286562524 KUFIQGIRGVLVCQ-ZJOUEHCJSA-N 443.661 4.502 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286621281 BBICNSIUPCOMQB-MOPGFXCFSA-N 444.004 4.915 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CCCCC2)CC1 1286641421 YNPUGIIAETWWAM-UHFFFAOYSA-N 444.421 4.658 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnn(CC)c2)CC1 1286650608 GCBUHEQKVCOZFY-UHFFFAOYSA-N 428.993 4.645 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1C(=O)NCCC 1291709900 KWBSENPLJFFDTD-QGZVFWFLSA-N 437.968 4.668 30 10 IJEE C#C[C@H](NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1297711503 AYCDNHUNANKFFG-DISYBOHSSA-N 434.939 4.838 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@H]1CC 1300273444 FLEMTDODMFNJKK-IRFCIJBXSA-N 444.023 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCS1 1300276001 DSRYXWYHFVSGLE-ORAYPTAESA-N 437.382 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCC[C@H]1CC 1300284252 QQMMNKJURAHSTN-IRFCIJBXSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1cccc(C)n1 1300289168 GLYNVTADJSLZPF-NRFANRHFSA-N 431.584 4.774 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1300370733 CBLBPHUWQUGVLX-HSZRJFAPSA-N 434.609 4.874 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1Cc1cc(C(C)(C)C)no1 1300595112 GTIVSKFZSZUKIZ-UHFFFAOYSA-N 447.608 4.676 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccnc1)C(C)C 1300642812 NLACJDZLXMHJJN-HSZRJFAPSA-N 442.542 4.887 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1c1ccsc1 1300765423 DOYCWHZYISLPQV-FQEVSTJZSA-N 426.586 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)C1CCCCC1 1300897083 NYNJSYOOIKIYOY-CYFREDJKSA-N 440.588 4.616 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ccccn1 1300898329 XJSVMIUUPUHHEU-GBXCKJPGSA-N 449.624 4.891 30 10 IJEE C=C(Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1301010432 LIOZQFCAIHXDLB-HSZRJFAPSA-N 446.542 4.514 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCC[C@H](C)C2)CC1 1301074790 KUKABLDDPUIGTG-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(C)CCCS2)CC1 1301074842 MVLZIXBOSBEWIC-HSZRJFAPSA-N 428.602 4.795 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1301075729 OZCPLIWZKUPEES-QHCPKHFHSA-N 426.948 4.872 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCOC(F)F)CC1 1301075788 QGWCLOVWOFPOOP-UHFFFAOYSA-N 445.283 4.632 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1301087550 LBVOSNHHFYAIEH-XMMPIXPASA-N 447.583 4.595 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC=CCC2)CC1 1301109361 IHYQFKPZBKJEJG-KRWDZBQOSA-N 430.394 4.805 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2C)CC1 1301110262 ZMPZKZBMWXXADS-UHFFFAOYSA-N 426.362 4.795 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301149069 WBEPAGNPVZMWIW-RTWAWAEBSA-N 428.552 4.839 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1301237688 VEHKCZNLHNGWDK-OAQYLSRUSA-N 440.979 4.690 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCn1ccnc1C 1301278825 SJRYNJFMGBCVRY-UHFFFAOYSA-N 449.784 4.578 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1Cc1nc(C)cs1 1301334894 RKIDVGPMKNDJIN-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCC1 1301600507 BBAFQNIBJDHQIN-UHFFFAOYSA-N 427.799 4.880 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1OC 1308425456 ITQNHTBSNOEPAO-UTKZUKDTSA-N 445.401 4.775 30 10 IJEE CN(C)[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1cccc(F)c1 1310721684 DLZSWGWVQWBKLV-OAQYLSRUSA-N 448.546 4.605 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 1311248970 PITHFZJHWGHHKH-UHFFFAOYSA-N 429.446 4.595 30 10 IJEE C#C[C@H](NC(=O)N1Cc2ccc(OC)cc2OC(C)(C)C1)c1ccc(Br)cc1 1312937421 PVHPHEVFZXFNDT-IBGZPJMESA-N 443.341 4.515 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)C(F)(F)c1ccccc1Br 1351788991 OBKSXGFGEBUESR-UHFFFAOYSA-N 430.252 4.676 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)sc2c1CC[C@H](C)C2 1355256659 FKKWQQLFKVBPNB-HNNXBMFYSA-N 448.548 4.748 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1358894508 QEYRYOYTNBWWSM-INIZCTEOSA-N 432.597 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCO[C@H](C)C1 1358895782 QOTKHOSRYNPVHX-XUVXKRRUSA-N 445.007 4.525 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCCC1 1359019169 MGYSIVKTYDGUHJ-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@@H](F)C1 1359067680 XRJQKEQOWSWZPH-DMJCMNNJSA-N 440.563 4.871 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1 1359137449 QDHSTUXNLAHSEL-VLCRHTCISA-N 442.604 4.692 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(Br)C1 1359144766 SUNKKIVCFUHROI-UHFFFAOYSA-N 445.695 4.788 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2csc([C@H](C)OC)n2)CC1 1359168429 UHOIBXOXMYLOOQ-SFHVURJKSA-N 439.585 4.534 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCSCC3)cc2)CC1 1359174259 ZBXKZDBKKVXMFR-IBGZPJMESA-N 425.646 4.796 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCC[C@@H](C)C2)CC1 1359180765 RJLVCBSVYGAEEG-LJQANCHMSA-N 442.677 4.548 30 10 IJEE C=CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)C(C)C)C1CC1 1359246887 NWTKWIWDGCRSGE-XMMPIXPASA-N 437.613 4.939 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1359255808 LLEYGNGJSUGWGS-VWNXMTODSA-N 446.624 4.795 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1ccc(C)cc1C 1359262776 DRQVDWMAYRUMLG-UHFFFAOYSA-N 432.597 4.792 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1)C(C)C 1359264772 PBVMDONYUWGCNR-PKTZIBPZSA-N 444.023 4.516 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCC(F)(F)F)C1 1359315905 DNMAYVXLBMNEJY-OAHLLOKOSA-N 444.885 4.731 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2OC)c1 1359822418 JJPBWXKCUILNAK-HYBUGGRVSA-N 433.508 4.552 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccccc1 1360378725 YYGCZBOMJMTNAU-GGAORHGYSA-N 427.566 4.718 30 10 IJEE C#CCOc1ccccc1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1435178391 FOIKYGOSFIOJSN-UHFFFAOYSA-N 439.490 4.549 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCCN1C(=O)OC(C)(C)C 1435353416 XDVHNQDMIDSYIC-VFNWGFHPSA-N 441.355 4.889 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1ccccc1 1437071161 JJCIUYBANMRZDQ-FQEVSTJZSA-N 434.337 4.618 30 10 IJEE C=C(CC(C)C)C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1451254116 VZEUEKALEDSHIK-UHFFFAOYSA-N 444.620 4.833 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CCCN1C(=O)OC(C)(C)C 1464145222 WZLSGZRISBHCOZ-CVDCTZTESA-N 435.634 4.593 30 10 IJEE C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1467185567 IFRNDJLKTYZEKC-ZDUSSCGKSA-N 449.299 4.510 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 1469470378 ZXTKXBXUAHXVBX-QFIPXVFZSA-N 442.401 4.984 30 10 IJEE Cc1nc(SCC(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)c(C#N)c(C)c1C 1469496546 DRFZBITVTSICAZ-QHCPKHFHSA-N 437.609 4.771 30 10 IJEE C#CCC1(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CCCCC1 1470759230 OJEWMEIZWQLTLB-FGZHOGPDSA-N 439.600 4.805 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)Cc1cn(C)c2ccccc12 1470936518 NBLHIMCMZAWZSU-FPOVZHCZSA-N 427.589 4.865 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 1471020137 NTLVPMDXMMAIKT-NRFANRHFSA-N 445.604 4.991 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1471202733 BBZZQUABEAMVGH-OFVILXPXSA-N 443.588 4.505 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1)C1CCOCC1 1476408888 MXQPSBZIAFYDKW-HSZRJFAPSA-N 437.971 4.843 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2nc(Sc3ccc(C)cc3)ns2)cc1 1476695419 ILHIJLTZCIKRSU-UHFFFAOYSA-N 440.554 4.949 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCC[C@H]1C 1496748748 AKXUYMXXQAWBEJ-NQIIRXRSSA-N 448.615 4.673 30 10 IJEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)c1cccs1 1503542930 HMCLROCNSYYROZ-FQEVSTJZSA-N 435.597 4.861 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1CCC 1507678733 CDMQVQIEPFCKBG-DHIUTWEWSA-N 437.632 4.759 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccccc2C)C1 1507681248 RCWGGJVASMKHTI-SAABIXHNSA-N 438.373 4.922 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)c1ccccn1 1507769290 ABMMBAQUZUKREQ-HHHXNRCGSA-N 443.595 4.839 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1507769622 DNLVBMWIUAZWHN-NGYIFUPDSA-N 426.992 4.576 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CC1 1507779885 IWADIUWTLIJEFV-UHFFFAOYSA-N 426.156 4.523 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)(C#N)CC1 1507858899 KTLVQDPMSCBHBD-UHFFFAOYSA-N 434.769 4.899 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1507915533 CEDDMKSRMZFOGU-SFTDATJTSA-N 428.577 4.901 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1507944835 VSIXCUDSFWPQAC-GOSISDBHSA-N 429.996 4.764 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(CC)C1 1507945631 JDQQDSQOCMGJJO-RUZDIDTESA-N 434.588 4.658 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C(F)(F)F)cs1 1507973587 KPLOKUPPCSCMOO-UHFFFAOYSA-N 443.882 4.753 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCc1cc(C)cc(C)c1 1508021429 WFNCSMVLMIRLOO-UHFFFAOYSA-N 426.568 4.555 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(C)(C)C2CC2)C1 1508130147 VAQGUDJLTJTFLR-NJDAHSKKSA-N 430.637 4.804 30 10 IJEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CCCS1 1510343459 FHFMXQWUPSLOSU-FXAWDEMLSA-N 435.519 4.881 30 10 IJEE CCc1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](SC)C2)s1 1513714161 CLZZTUQJWNTUNN-IBGZPJMESA-N 438.626 4.606 30 10 IJEE COC1(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CCC(C)CC1 1517937778 CZWAMIZDFGCZDJ-WDEWVQCLSA-N 439.579 4.733 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1n1cccn1 1521748055 HNVWZQOIHQLNPK-WWNPGLIZSA-N 448.498 4.613 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCn2c(=O)n(CCC)c3ccccc32)C(C)(C)C)cc1 1523657595 WKEOXNYIPVMOQM-UHFFFAOYSA-N 449.595 4.995 30 10 IJEE C#C[C@@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(Br)cc1 1528080237 HFRBZYAVVHUDFN-QGZVFWFLSA-N 445.313 4.728 30 10 IJEE COc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1C#N 1536116430 IFXUTUSHAZWOFM-UHFFFAOYSA-N 435.480 4.689 30 10 IJEE C#CCCCCC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I 1536670574 YOZMOUUESUTALC-FQEVSTJZSA-N 435.280 4.830 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1538970272 BPCQDGCRLCYOBV-YYDVJCTNSA-N 441.595 4.526 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539049016 DEJKOYMPGAIFIS-IBGZPJMESA-N 432.515 4.601 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1539093599 AQPWYSFKMYROQA-SFHVURJKSA-N 428.552 4.755 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3c(s2)C[C@@H](C(C)C)CC3)CCCN1C(=O)OC(C)(C)C 1539105801 GAJVMINCQCKLTG-QMHKHESXSA-N 431.602 4.636 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(F)(F)CC1 1539526143 JYPGJXHGKDOTFR-UHFFFAOYSA-N 448.583 4.891 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccccc1Br 1539617597 XUUQZOHRZFJAED-PKOBYXMFSA-N 433.394 4.782 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1539636487 KWJUZIXIPUBYKQ-WIOPSUGQSA-N 449.574 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1cccc(COCC(F)(F)F)c1 1539662515 UZKYEZDFJABZAS-UHFFFAOYSA-N 445.489 4.870 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1539910604 LOAFUCSEXMLDNK-UHFFFAOYSA-N 446.599 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1539930651 ALIDOLRQPXFOHC-DQEYMECFSA-N 448.652 4.562 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)NC(C)(C)C)C1CC1 1540098758 HRWPPEMYBPMJCQ-MRXNPFEDSA-N 441.645 4.591 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)c2cccc(OC)c2)C1 1540892964 UUPBCUUDDMVZAN-NRFANRHFSA-N 426.605 4.634 30 10 IJEE CC(C)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C(F)(F)F)C2)CC1 1541420340 DIKDKUSIHWZQFR-QFBILLFUSA-N 447.505 4.799 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccco1 1541818000 DVAPWIWBRWIOSN-SFHVURJKSA-N 447.564 4.898 30 10 IJEE CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1545995664 WOJLCYJZCZIZQQ-GOSISDBHSA-N 444.583 4.595 30 10 IJEE C=CCn1c(SCC(=O)c2nccn2C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1559307298 BABQLZVGAYEECK-CQSZACIVSA-N 442.610 4.521 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-c3nnco3)cc2C)cc1OC 1560390816 UQECDTDYIYDVPK-UHFFFAOYSA-N 430.302 4.993 30 10 IJEE Cn1cc(CN[C@H]2CCc3c2ccc(F)c3Br)c(-c2ccc(C#N)cc2)n1 1560476907 BTHRKPWYBAMKGT-IBGZPJMESA-N 425.305 4.637 30 10 IJEE CCCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 1561156802 CPCVLTKZDYSRMN-UHFFFAOYSA-N 438.524 4.877 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)c1 1562256730 XQIOWXDSZBBVLA-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE Cc1nsc(N2CCN(C(=O)Nc3cc(Cl)ccc3OCC3CCC3)CC2)c1C#N 1562628796 ATTZZFICKVFKLU-UHFFFAOYSA-N 445.976 4.510 30 10 IJEE CN1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)Cc2ccccc21 1562787724 AIQBJFKCVXEUEP-UHFFFAOYSA-N 428.540 4.525 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 1583056373 DFYHYTIOEGEOJM-WWNPGLIZSA-N 443.632 4.920 30 10 IJEE C#C[C@H](NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(F)cc1 1584680704 BNYUBCKWMMORAH-KRWDZBQOSA-N 449.322 4.812 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1588983809 CEMBTZCNPZDKLU-CEXWTWQISA-N 430.593 4.939 30 10 IJEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ccc(C)s1 1589097564 SSJFVJIBNUFNGA-UHFFFAOYSA-N 435.622 4.723 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN1CCC[C@@H](C)C1 1589252208 ZRMJEKRZXNZOHP-PXDATVDWSA-N 437.657 4.603 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cc(Cl)ccn1 1589317562 QKJQCEJKTAAVRQ-UHFFFAOYSA-N 448.752 4.547 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC)[C@H](C)C1 1594573109 OLGYKOUAKZOIFG-RTBURBONSA-N 432.012 4.958 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1594660908 OMFZXCPCHMAFDZ-QPTUXGOLSA-N 437.632 4.975 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCOC2)C1 1594766812 DUOJTWSSQTWXMH-OAQYLSRUSA-N 437.371 4.747 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(F)cc(C)c2C1 1594798171 OJWHGQGXCAZJHD-UHFFFAOYSA-N 441.938 4.596 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1OCCC1(C)C)C1CC1 1595027029 WGANHOYGDXOCMV-SFHVURJKSA-N 449.368 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC=CO1)C1CC1 1595038194 RZLBYZGWGQKDQE-MRXNPFEDSA-N 433.325 4.694 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2)CCC1 1595142231 PUUFVEABBIMDFY-UHFFFAOYSA-N 449.624 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=C)Cl 1595156590 NSYCCRDZXSOZPW-UHFFFAOYSA-N 438.944 4.601 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1coc(-c2ccccc2)n1 1595190704 FUYCAWCOGLQGBR-UHFFFAOYSA-N 432.915 4.875 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595330671 ZRBMQRJFKQMHJK-SJLPKXTDSA-N 445.995 4.914 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2c(C)nn([C@@H](C)CC)c2C)[nH]n1)c1ccccc1 1603511056 RGIHXQDVCGGOET-JGVYIQDASA-N 425.558 4.714 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCCCC1 1611742272 ADOOATLSDMRSJD-RTBURBONSA-N 445.011 4.686 30 10 IJEE Cc1ccc(-c2nc(CCn3c(-c4ccc(C)o4)nnc3N(C)[C@@H](C)CC#N)co2)cc1 1612008576 HFBNVTXDQXZIEG-KRWDZBQOSA-N 430.512 4.791 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1613491455 HPZQSXUZLDJIMT-UHFFFAOYSA-N 444.583 4.894 30 10 IJEE CCS[C@H](C)C[C@H]1CC(=O)/C(=C/Nc2ccc(Cl)cc2Cl)C(=O)[C@H]1C(=O)OC 1614297235 KGOWJVJUFBNYEV-SZANPDJXSA-N 444.380 4.768 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1C 1615597645 DLLNNUJJWWQAIH-WIYYLYMNSA-N 435.597 4.620 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1616577720 CTCROYPAOGDIJD-UHFFFAOYSA-N 431.330 4.668 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)C)n1CC1CCC(F)(F)CC1 1619899547 AOYWUXPBGUDBIZ-UHFFFAOYSA-N 445.558 4.827 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccccc2CN(CC)C(=O)OC(C)(C)C)cc1 1623134228 WMMSWYGRRBXTNR-UHFFFAOYSA-N 437.540 4.777 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(Cl)cc1F 1623825269 BHTPRPPTWQHIIH-SJLPKXTDSA-N 425.674 4.770 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(CCc4ccc(C)cc4)CC3)n[nH]2)c1C 1624750768 PNRQTCUVHRQKEW-UHFFFAOYSA-N 431.584 4.869 30 10 IJEE C=CCc1cc(CNC(=O)c2ccccc2C(=O)c2ccc(OC)cc2)cc(OC)c1OC 1625994081 PZWWBQQENGZVAX-UHFFFAOYSA-N 445.515 4.602 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(C)n(-c4ccc(Br)cc4)n3)cc21 1627040554 OQLOFXDFFTVLET-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE C=CC[C@@H](NC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccncc1 1631878639 RHIJNMUBRRZLNT-NHCUHLMSSA-N 442.604 4.958 30 10 IJEE C=CCCCCCCNC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 1635113501 ITOJDPPCRUYELO-UHFFFAOYSA-N 430.593 4.913 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C)c1ccccc1 1636978261 WYQHVZFMYFYAFM-WENCNXQZSA-N 428.554 4.801 30 10 IJEE C#CCN(CC(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1)C(=O)OC(C)(C)C 1639981775 ZISPEBLUDMXTIY-WOJBJXKFSA-N 436.552 4.874 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccc(Br)cc1 1640709690 PPLQTRHNKJWZDR-HZPDHXFCSA-N 435.435 4.964 30 10 IJEE C=CCC[C@@H](NCc1c(I)cnn1C)c1ccc(C(F)(F)F)cc1 1642447851 WKSMLFDKLOKCCP-OAHLLOKOSA-N 449.258 4.841 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCC(C)(C)C[C@H]3c3ccccc3)ccc2c1=O 1650785052 DTDAHFCVHWIGHO-SFTDATJTSA-N 447.604 4.964 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@H](C(=O)OC)c1ccc(Cl)cc1 1651648346 OHZIQVZBXMLIEL-IBGZPJMESA-N 447.919 4.842 30 10 IJEE Cc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nnc2-c2ccccn2)cc1 1652698082 ADRBKOFERZFIRH-FQEVSTJZSA-N 425.517 4.606 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC=C(c2ccc(C#N)cc2)CC1 1654014933 BBOUZWDWAFGTPF-KRWDZBQOSA-N 430.577 4.877 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1659596272 BCAJMPGAMIQVLG-INIZCTEOSA-N 432.320 4.864 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1C#N 1660097181 GXNSSPOYZJSLRF-UHFFFAOYSA-N 449.555 4.680 30 10 IJEE Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)cc(C#N)c1 1663064954 FOXSDHBRNAWCIO-MRXNPFEDSA-N 447.276 4.601 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)Cc1cccc(Br)c1C 1664429962 BDLCGSBHGOPJGA-NRFANRHFSA-N 432.383 4.600 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc2c(C)ccnc12 1666959441 PFZFFPAVIVIZFN-UHFFFAOYSA-N 449.345 4.822 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 1669011570 JFMNBZVLYGKVKJ-NRFANRHFSA-N 434.399 4.715 30 10 IJEE C=CC[C@H](CC)NC(=O)N[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1672200984 DRHHFSMXPRJSRH-AZUAARDMSA-N 443.588 4.934 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 1672708233 HZNXKHYQFPDWTE-WQCNXYOZSA-N 437.378 4.807 30 10 IJEE C=CCC1(CNC(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)CCCC1 1675555337 MOKHRNOWKJJLOK-KRWDZBQOSA-N 429.565 4.807 30 10 IJEE CC1CCN(Cc2ccc(CNC(=O)N3CCC(c4ccc(C#N)cc4)CC3)cc2)CC1 1676593939 HIVXQBOXLAZJGO-UHFFFAOYSA-N 430.596 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 1680127104 NZOXZBCFKKMCGU-YYWHXJBOSA-N 447.348 4.958 30 10 IJEE C=C(C)COCCNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 1685536601 FWQWFMARVNESPT-NRFANRHFSA-N 436.474 4.543 30 10 IJEE C#CC[C@H](NC(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 1685763995 NOSVLTOPBVVARU-XZOQPEGZSA-N 433.552 4.585 30 10 IJEE C#C[C@@H](NC(=O)N(CCOC)Cc1ccc(C)cc1C)c1ccc(Br)cc1 1686920095 SWUDDWOHLFDGGE-OAQYLSRUSA-N 429.358 4.598 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCSC(F)(F)F 1689837605 JELMTGPNDZSEDW-GFCCVEGCSA-N 447.324 4.727 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@H]1CC 1689850275 ZBWPMHKKOJDZSW-UWHLTILDSA-N 443.636 4.677 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCC1(F)F 1690043067 NZCTXGDSQNFLHV-LJQANCHMSA-N 435.522 4.725 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1690235618 BPLBDRQYZXXHRR-VKUXKFIQSA-N 426.605 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCSCC1 1690258830 VWROQAGEWKEDDI-SFHVURJKSA-N 445.702 4.583 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C)[C@@H](C)CC)CC1 1690399458 XLJVJHACIBGBLG-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccccn1)C1CC1 1690549734 IQKKAERLNOQRAX-UHFFFAOYSA-N 444.366 4.956 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(Cl)cccc2C1 1690655024 DPFOYTUDKKVZHD-IBGZPJMESA-N 443.979 4.752 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C1 1694857218 ICAAANUFXFHSLK-QGZVFWFLSA-N 436.947 4.571 30 10 IJEE CSC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 1698358742 HITYXJONHUDUCE-INIZCTEOSA-N 429.565 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(COC)c1 1705481593 JNZSTTCLCAKOTF-MSOLQXFVSA-N 434.609 4.784 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC(F)(F)C1 1705625514 NLJYBJGWNRMBHR-LJQANCHMSA-N 439.485 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)CC#N 1705794970 ZVLZDXSQFJLYJR-MRXNPFEDSA-N 446.393 4.960 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(NC(C)C)CC1 1705812256 VBVUCBSVHNESAO-NRFANRHFSA-N 425.621 4.968 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N(CCO)Cc1ccc(Br)s1 1705819930 XFBGZAJMZHWHLL-UHFFFAOYSA-N 441.439 4.656 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1705821503 ZHICJOALJHEDEH-QHCPKHFHSA-N 426.568 4.561 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCCCC1)C1CC1 1705849083 BUXGZAGHWVELHU-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCCN1CCCCC1=O 1705865090 FTRLCKRSLUAVGR-UHFFFAOYSA-N 449.624 4.910 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CC=CCC1 1705870768 XNKFJJZVCOLTEU-UHFFFAOYSA-N 446.624 4.817 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCSC2)C1 1705921246 OJUYLLZNELRROT-WMZOPIPTSA-N 449.020 4.532 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 1705941659 QPANYMAUXVWQSH-KBPBESRZSA-N 427.401 4.785 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccsc2Br)cc1 1708896219 COGMVAWWSKICRE-CQSZACIVSA-N 444.402 4.976 30 10 IJEE CCc1ccc(Cn2c(CSc3ccccc3OC)nnc2N(C)[C@@H](C)CC#N)s1 1708933106 GFADQZUTVUUKQK-INIZCTEOSA-N 441.626 4.990 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722310152 HYVILWPNOOLJIM-YLJYHZDGSA-N 448.354 4.677 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCCCCC1 1722415261 KUGSZGFHYSFNIF-UHFFFAOYSA-N 438.616 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC(F)F 1722493011 VQUJUDHKBHJXRE-QINHECLXSA-N 438.494 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(Cc1cccs1)C(C)C 1722510726 WYCOQFAIRWPSCH-TYPHKJRUSA-N 430.618 4.977 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H](c1ccccc1)N1CCCC1 1722513629 CPOYNZBOHZHZPW-XMMPIXPASA-N 430.600 4.503 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1722545338 BJUBOXNRFYICFB-CXAGYDPISA-N 437.769 4.848 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)C1CCCC1 1722590425 DFYMPHLWDHZIEY-UHFFFAOYSA-N 437.636 4.823 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1722594953 HLJJQYVLZJOPFK-IBVKSMDESA-N 440.632 4.965 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C(C)C 1722598450 HUJFAFVJAFXGPE-FQEVSTJZSA-N 429.996 4.843 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CCOCC2)C1 1722624173 VSPPLBVMEZYBDE-UHFFFAOYSA-N 438.616 4.842 30 10 IJEE C=CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(COC(C)(C)C)c1)C1CC1 1722652633 LTMGJFQXDZMGFA-UHFFFAOYSA-N 431.584 4.782 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1ccc(F)c(F)c1 1722663897 KSDWGTAYEFQGNR-KRWDZBQOSA-N 430.524 4.557 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1722680096 WWMLOURBDYEHHJ-GOSISDBHSA-N 426.458 4.806 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCC(CN(C)C(C)C)CC2)cc1 1722705997 MLZPYBXKCQIJER-UHFFFAOYSA-N 437.632 4.715 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1727699843 DLXOIRLWUJOXSK-YSFYHYPLSA-N 437.588 4.590 30 10 IJEE CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1728381052 FNAOWVJROMAUHG-UHFFFAOYSA-N 445.615 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@@](C)(CC)O1 1740538795 KIQPKXQZVJYHHP-MDWCYVBFSA-N 426.630 4.937 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN1C1CCCCC1 1740558159 SYUVALWWKHKCGN-LADGPHEKSA-N 449.643 4.729 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](CC(C)C)C1 1740568138 SUFPDZJZPPVGRZ-KRWDZBQOSA-N 432.410 4.722 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC(OC(C)(C)C)CC1 1740597030 IMBPLVXBCBMIGR-UHFFFAOYSA-N 442.629 4.776 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN(C)C1CCCCC1 1740601435 VRXXMIATVROFPG-IBGZPJMESA-N 444.023 4.796 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCCN1CCC(C)CC1 1740676432 COZFYVPPPVXKRM-UHFFFAOYSA-N 437.607 4.837 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1740744680 DRRHLEACDJOOHW-LJQANCHMSA-N 433.394 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC(C)(C)[C@H]1C 1740754880 WOTSPFKHPVVOOC-LGKPFJOYSA-N 438.616 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H]1CSC 1740756942 RRGGJASJFHFLOT-FSSWDIPSSA-N 426.630 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(OC)nc1 1740768399 JYIGRIAAFOOMHO-UHFFFAOYSA-N 428.540 4.656 30 10 IJEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCCCC)C(C)C 1740810993 KOEFNUGLMWLLJU-UHFFFAOYSA-N 432.016 4.610 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCCn2ccnc2C)CC1 1740823217 AKPMZDMOYRONQL-LJQANCHMSA-N 438.551 4.699 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(F)(F)F)CC1 1740839696 NHYFCTHELOSVGV-SFHVURJKSA-N 436.478 4.782 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cccc(F)c2F)CC1 1740840519 BHXUYIPJDLBGCK-UHFFFAOYSA-N 429.540 4.557 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1740853740 ILGNZEITRDNMSZ-FYYLOGMGSA-N 433.600 4.896 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1740863770 FSFXYISZMXNOBX-HSZRJFAPSA-N 435.572 4.795 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740872208 BOFXLFJDCHVWSH-BEFAXECRSA-N 431.378 4.678 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740875855 LDUONHOTUZAKEB-OALUTQOASA-N 431.625 4.841 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2F)n1CCN1CCCC(C)(C)C1 1741516000 CWSOZRGREHPMTG-UHFFFAOYSA-N 440.611 4.972 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCCO1 1748699814 SNZBCFLXQOCDGL-WIYYLYMNSA-N 430.980 4.880 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H](C)c1ccco1 1749023780 WJFMQYVTSXXTLM-SJORKVTESA-N 428.533 4.714 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 1749046838 HNUAVGFBRVCLSK-OAQYLSRUSA-N 426.630 4.713 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCc2sccc2[C@@H]1CC 1749101625 DHPFSWLCMZZLLQ-HOCLYGCPSA-N 437.407 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=C)Br 1749147336 FFOBWYYBBDCFJE-UHFFFAOYSA-N 427.293 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCc2ccccc2C1 1749149931 JOXJZTASWVGHQN-UHFFFAOYSA-N 430.600 4.579 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)Cc1cc(C)cs1 1749175349 GDXMKJFGIQWIPL-UHFFFAOYSA-N 428.558 4.553 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCOC(C)(C)C 1749182916 KTEDYGMGAXCISJ-UHFFFAOYSA-N 437.382 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCCC2)CC1 1749356967 DMGKVSZJIUESBB-UHFFFAOYSA-N 429.012 4.660 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1749380886 AYAGPPKECUDYFL-UNMCSNQZSA-N 439.604 4.640 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1749442644 UUEBIQQUQLXVNZ-DHLKQENFSA-N 444.627 4.719 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CC[C@@](C)(CC)O2)C1 1749697368 JGVWSWXEFXBXNN-ZGXDEKTJSA-N 438.616 4.949 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1csc(C(C)(C)C)n1 1760194799 QRKMIYBRSFYTRF-QFIPXVFZSA-N 445.636 4.890 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc(Cl)cc2C1 1760306069 APIKZBMSBSJJLR-KRWDZBQOSA-N 437.769 4.644 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1760327233 DYLOAOMXPHJMBD-GMAHTHKFSA-N 436.600 4.656 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760429721 NHYNBMPOYURSGJ-IBGZPJMESA-N 443.617 4.512 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC1(C)C)C1CC1 1760469361 GDTJMALAIQDPMX-CQSZACIVSA-N 431.378 4.917 30 10 IJEE Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)on1 1762679595 BSBLZWWIDCNXNU-ZHRRBRCNSA-N 440.935 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC[C@@](C)(CC)O1 1772522889 DSYJEYPYKNBKEN-NTUVXCKYSA-N 442.991 4.947 30 10 IJEE COc1ccccc1C=NN=C1S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccco1 1772757713 SCRWRRZHQZYACR-JWZGDWNOSA-N 435.480 4.934 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1OC 1861063772 ONERYQWNPCXTLI-HSZRJFAPSA-N 440.584 4.522 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 1862442422 JDAYLWIYWGOMND-NRFANRHFSA-N 444.934 4.789 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862474716 SJZDMCSXBFEAQD-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1OC 1862578386 DXUPVCVPMCZIPE-LJQANCHMSA-N 449.425 4.709 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2 1862611590 PEAICPKQTVBVDB-IBGZPJMESA-N 446.286 4.505 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1862649907 JJDWCMJJENDKAA-XMMPIXPASA-N 446.522 4.899 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1OC 1862674850 VOGREIPZFQKKCO-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862678228 LVIWQYVZQNYULR-OYHNWAKOSA-N 445.446 4.863 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862701638 JXTPNACBHCFNPN-RBQRDFNRSA-N 449.503 4.550 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)c1 1862703674 XBIOOOKSIFHSSJ-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(C)ccc2C)C1=O 1863028608 MOTGTLCANNBWGD-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1 1863174238 YIUMAICDOMOIBD-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1863216408 KYMFVVSTBRSSKS-SFHVURJKSA-N 437.499 4.910 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(Cc2ccco2)C1=O 1863517775 WSMLFFZQJCYIOS-UHFFFAOYSA-N 440.540 4.527 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(OC)c(OC)c2)C1=O 1863520885 LQFAIOMYHRQARL-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(OC)cc2)C1=O 1863672229 HUYRGUNQDZNJGW-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)C2CC2)c1 1866731264 UZLSTSJWUZMNHN-FTJBHMTQSA-N 437.543 4.808 30 10 IJEE CCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 1867047237 IODRSPSZDBEHPQ-OAQYLSRUSA-N 432.549 4.538 30 10 IJEE CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C#N)nnn2Cc2cccc3ccccc23)cc1 1870105618 BFOKQFXVIWERPT-SFHVURJKSA-N 439.519 4.881 30 10 IJEE N#Cc1nnn(-c2ccc(Br)cc2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870137613 STDWSCPOOJMTSW-UHFFFAOYSA-N 444.292 4.821 30 10 IJEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870833181 BJELIYKRZQTFRM-QFIPXVFZSA-N 438.572 4.865 30 10 IJEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870847637 XUDUTHURLDUSSR-UHFFFAOYSA-N 426.557 4.522 30 10 IJEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1871010252 FXUYPWBUZLRFBN-UHFFFAOYSA-N 443.330 4.836 30 10 IJEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CNc2cccc(C)c2)cc1=O 1871010730 QSLYYWDKCVNEJI-AREMUKBSSA-N 441.575 4.618 30 10 IJEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(C(=O)OCCC)cc2)[nH]1 1871295381 ONCMYLIKRRABQK-UHFFFAOYSA-N 438.576 4.868 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871418512 XTUJETZQFQSVFM-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O)C(=O)O 1871422835 FTNIFSWTQIIDHE-UMUMUWHJSA-N 426.465 4.651 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872473593 SGBUFUPWAORRPN-QFIPXVFZSA-N 432.561 4.762 30 10 IJEE C[C@H]1CCCC[C@@H]1N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)c(F)cc2F)C1=O 1873245457 JFGYZWXRDPXENZ-RBZFPXEDSA-N 439.437 4.746 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc3c(c2)OCCO3)c2cnn(-c3ccccc3)c2n1 1873481798 PYYPTWUZWOGACX-UHFFFAOYSA-N 440.507 4.509 30 10 IJEE Cc1ccccc1CSc1nnc(C)n1/N=C/c1ccc(OC(=O)c2ccco2)cc1 1873501190 OCCDUFRQXQJPTM-ZVHZXABRSA-N 432.505 4.882 30 10 IJEE COc1cc(/C=N/n2c(COc3cccc(C)c3C)nnc2SC)ccc1OC(C)C 1874322438 QSWNMMUQQGDTER-ZMOGYAJESA-N 440.569 4.874 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(C)cc1 1874365249 SIXLWUKTOHSEOJ-ZVHZXABRSA-N 441.988 4.750 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccs2)c1 1874437858 WXWWKSSAMPMSPQ-LPYMAVHISA-N 427.599 4.850 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1cc(C)ccc1O 1874477914 OWUGAHAJKOYTJU-YDZHTSKRSA-N 442.541 4.579 30 10 IJEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c1 1874597189 YQTBIIXCLITGKE-CSKARUKUSA-N 429.472 4.680 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(Br)c1OCCO 1874623249 STJVMPWMDAJWQB-MDZDMXLPSA-N 427.294 4.878 30 10 IJEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])c1 1875146495 XAVKTKOXFNQCFB-VMPITWQZSA-N 445.427 4.790 30 10 IJEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCc3ccc(OC)cc3)ncnc21 1875231387 LBVGEPDROVSODR-UHFFFAOYSA-N 435.572 4.890 30 10 IJEE COc1ccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1C(F)(F)F 1891060677 JDMCZFMCISAOGG-UHFFFAOYSA-N 431.332 4.545 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1ccc(C#N)cc1 1901484330 YBXDOURINHHXOF-RUZDIDTESA-N 439.515 4.838 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Br 1935890459 GMXGYOKTRTZYHA-AWEZNQCLSA-N 448.155 4.660 30 10 IJEE CN[C@@H](CC#CC1CCCCC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2032521604 ZZEDVOVOPHRMRC-IGKIAQTJSA-N 439.644 4.718 30 10 IJEE CN(CCN(CC[C@@H]1CCC[C@@]1(C#N)NC1CC1)Cc1ccccc1)Cc1ccccc1 2034739127 GWKYAEYGZQPPKD-XCZPVHLTSA-N 430.640 4.825 30 10 IJEE C=CCN(CCC(=O)Nc1cc(F)c(Br)c(Cl)c1)C(=O)OC(C)(C)C 2060650421 DRICAYOZCMMZFP-UHFFFAOYSA-N 435.721 4.993 30 10 IJEE CCOC(=O)c1c(C(C)(C)C)nn(-c2cc(C(F)(F)F)cc(F)n2)c1C(F)(F)F 2078906033 LSMRAKDXFZAABT-UHFFFAOYSA-N 427.320 4.918 30 10 IJEE CC(=O)Oc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080080682 XWKYHPDHARSGCD-SFHVURJKSA-N 446.345 4.820 30 10 IJEE CCOP(=O)(OCC)c1cn(Cc2cc(F)ccc2C(F)(F)F)nc1C(F)(F)F 2080386177 CBUSHUBTSXZOCI-UHFFFAOYSA-N 448.275 5.000 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1cc(Br)cc(F)c1C#N 2107452591 ZSLZBWCFMBQKSS-MLGOLLRUSA-N 426.330 4.955 30 10 IJEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)c(Br)c1F 2118195185 SLVYYJYYFXTNCE-CYBMUJFWSA-N 426.330 4.543 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(OC)c1Br 2142388778 NMSUGYLHOHPBDS-QAPCUYQASA-N 427.383 4.968 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 2159124627 IXFJHBKOHRHIHI-ROUUACIJSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3cc(Br)c(C#N)cc3F)C(C)(C)[C@@H]21 2175899388 VEVOJNONVUQWTK-CSMYWGQOSA-N 438.341 4.906 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCCC1 2181108744 WIJMDLOBAPLGPF-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190477306 DNWZIVMGFQKERE-HPUZDQILSA-N 447.428 4.802 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)C#Cc1cccc(Cl)c1 2212454248 FVVJGTAECHVIND-NRFANRHFSA-N 427.928 4.761 30 10 IJEE CCN[C@@H](C#Cc1ccc(CC)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2231212023 APEZFNDUFBMBGQ-UIOOFZCWSA-N 449.639 4.604 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CC1CC1 2233326331 YOQLIEWTTKLUAV-MAUKXSAKSA-N 441.414 4.566 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2235735193 ZDDIUTZJWKNZPG-XKGZKEIXSA-N 435.406 4.720 30 10 IJEE C#CC1(CNC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 2243924980 OSTLDAQFGBYFCR-VWLOTQADSA-N 444.575 4.860 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)CC#CC2CCCCC2)C1 2248510993 YDXIJOZJBTVOLB-UHFFFAOYSA-N 425.569 4.983 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)cc2)OC1(C)C 2267640494 BZMUGMCZBOQHJY-UHFFFAOYSA-N 432.329 4.813 30 10 IJEE C[C@@H](CC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2273746707 HFSXDRORAQMNNI-ZGUWOUCSSA-N 444.381 4.831 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2c(Br)cccc2C#N)[C@H](C(F)(F)F)C1 2285189147 BCTSFKVNAXNJML-OCCSQVGLSA-N 448.283 4.745 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2296291002 JSIWVURYYRQYPR-HZPDHXFCSA-N 449.311 4.577 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@H](N)C#Cc3ccc(Br)cc3)c2C1 2296300854 NFYKYYRCTBSKBE-HXUWFJFHSA-N 427.342 4.751 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccc2)cc1OC 2297745473 IDVCDEYAMYUPJG-HSZRJFAPSA-N 429.472 4.639 30 10 IJEE Cc1nnc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc(Cl)c2)s1 2314475624 ZKYUCLZWPSGFIR-IBGZPJMESA-N 437.908 4.682 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)N[C@@H](C)c1ccccc1 2322748801 UNEPRGYGBRPJLN-SFHVURJKSA-N 433.479 4.987 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OCC(=O)OCC(C)C 2323671805 GBWKHVBEJAZNRA-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE Cc1cc(O)c(CN2CCCCC2)c2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2323985118 IDBOGJNJXSFPRJ-UHFFFAOYSA-N 441.911 4.823 30 10 IJEE C=CCOc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1Br 2324719092 BZLQYPVMPRDPSW-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)cc1 2325009110 GIXHXDOWEAGDLR-KRWDZBQOSA-N 429.472 4.568 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)s1 2325447157 RQQMGCZBUJZJCY-OAHLLOKOSA-N 449.532 4.740 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(O)cc3)cc(C)c2C1=O 2325551109 NJTFPMUBGGKTAV-UHFFFAOYSA-N 445.471 4.733 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccs1)C2=O 2325571617 QQILGUPOPFPEIO-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE COc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3OC)c2)c1 2325786280 QHRXVOQSYHMGFV-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1c[nH]c2ccccc12 2326766501 PUHCVVDXNJVCBJ-UHFFFAOYSA-N 433.537 4.528 30 10 IJEE CCCOc1cccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC)c1 2327457953 CWBXGOKCDQVMRO-UHFFFAOYSA-N 432.496 4.918 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(O)cc1O 2329712790 HCUNNSOFEVTZLJ-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cccc2ccccc12 2330786190 GYPQFHOMOKJCDR-UHFFFAOYSA-N 449.967 4.895 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 2331017864 NHDVXZTZXTXZLY-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2)c1C 2331430517 CYJZFSWMOXAFRD-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C(C)C 2331684811 UXPBTOJGQNIQOZ-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CC[C@H](NCCCCCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338516686 NUEHJEXLCWFXIT-NRFANRHFSA-N 446.441 4.722 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339600303 RHRUZJUZIFITGS-DTCDPSDVSA-N 442.365 4.503 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2339701344 UEITVOINEFRYMM-DLBZAZTESA-N 427.383 4.886 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197653 RHKAUJBDQOHBKA-MDNKFWRPSA-N 433.390 4.567 30 10 IJEE C=CCC(C)(C)CN[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2379259594 YJUDGSIXYXLAQT-AWEZNQCLSA-N 425.186 4.765 30 10 IJEE Cc1ccc(S(=O)(=O)/N=C(\O)c2cccc(OCc3ccc4ccccc4n3)c2)cc1 597231 RQFQHHZDINZMGC-UHFFFAOYSA-N 432.501 4.816 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)n(Cc2ccco2)c1C 9051880 XBQNTXWMAAJBIJ-QHCPKHFHSA-N 434.565 4.627 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCC)c(OC)c2)cc1 21246005 HGJBMPNZNVYZJV-TZIWHRDSSA-N 449.547 4.887 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)cc2)c1 35279012 COWUUPRCZITBCB-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE Cc1ccc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)cc1C 38623071 VBENYKZFIQWDNE-MOPGFXCFSA-N 430.504 4.610 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Oc3ccccc3)cc1)c1nc(C#N)c(C#N)nc12 39846165 NBLMTYGPQARFFX-SXOMAYOGSA-N 449.514 4.980 30 10 IJEE CCc1ccc(/N=N/c2c(C)c(C#N)c(=O)n(CCc3ccc(OC)c(OC)c3)c2O)cc1 39871543 WVNCPWXPXIDYNU-BYYHNAKLSA-N 446.507 4.972 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 169927508 KFFGBKBFOKBNQP-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1C 169936543 SEFGGULMQUOGFA-XMMPIXPASA-N 436.577 4.841 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)s1 169984084 MTRPNXQWXSGDER-MRXNPFEDSA-N 432.473 4.883 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccncc2)c1 170014682 CFBGZHVKOYXLEY-HSZRJFAPSA-N 439.471 4.745 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 170054480 OXFWRUKJNLBQOV-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCOCC2)C1=O 170065333 TUJKAFRAHZBQFK-UHFFFAOYSA-N 439.383 4.766 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2F)cc1 170069770 XFQPQMZETAFCGL-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1 170135542 OXMLXILNMZABJJ-JOCHJYFZSA-N 435.520 4.929 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)c1 170155289 ZONDYMZMGMNREE-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)c1 170162524 FEMWYWUJQSUTTH-GOSISDBHSA-N 429.881 4.782 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)c1 170221669 FXLVVBHLELBVOO-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)cc1 170242017 HAFJNFCRNFWTNO-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1 170282175 CAULNBSGTAAOEV-IBGZPJMESA-N 427.815 4.864 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1 170295945 AMCWSAAJHOLWFH-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(C)o1 170299522 QQJYHBSYPSAUFI-FQEVSTJZSA-N 443.377 4.797 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OC)c2)cc1 170410953 DVDKWTNZHYJKIV-JOCHJYFZSA-N 449.528 4.586 30 10 IJEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)c1 170431873 HBDVRBFWRLUXIM-QFIPXVFZSA-N 437.536 4.993 30 10 IJEE COc1cc(/C=C\C(=O)Nc2ccccc2N(C)Cc2ccccc2)ccc1OCC#N 210810640 OLAWBKWATWHNLY-SQFISAMPSA-N 427.504 4.886 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)c2ccccc2I)C1 309935960 YFUNVDRXQMORHK-HIFRSBDPSA-N 426.298 4.545 30 10 IJEE CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)o1 480998695 NERXBFNQYFSNGT-YRNRMSPPSA-N 429.542 4.533 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 508826393 IMCRUDIGFZPNEV-UHFFFAOYSA-N 439.922 4.779 30 10 IJEE Cc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC(=O)c2ccccc2)cc1 526800247 XFLXBLRRKRQCBI-XYGWBWBKSA-N 428.517 4.980 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)cc1OC 526807901 JMABBZIADQXXJC-OYKKKHCWSA-N 440.569 4.739 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1c[nH]c2ccccc12 526830691 UQFQJJWBFHBBCU-CFRMEGHHSA-N 437.525 4.656 30 10 IJEE C=C(C)Cn1c(N2CCC(C(=O)OC(C)(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 549272088 ZMXQAQLXBKGYDV-UHFFFAOYSA-N 448.514 4.541 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 558984284 SRHXBABTCJWZBP-OAQYLSRUSA-N 444.645 4.646 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C1CCOCC1 564625204 OJXMOONTWFNBDQ-UHFFFAOYSA-N 425.758 4.552 30 10 IJEE Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3C#N)CC2)nn1 585193603 XEJGKGKXFPIEQX-UHFFFAOYSA-N 431.927 4.832 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)CCCCN2CCCC2)cc1 586181770 RMNLSJVKRGOXRU-UHFFFAOYSA-N 433.662 4.980 30 10 IJEE N#Cc1ccc(CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 586192538 DTVSQJDEETWILW-UHFFFAOYSA-N 427.323 4.716 30 10 IJEE N#Cc1cccc(CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586209042 ZQEGCMGSZVDAIE-UHFFFAOYSA-N 445.859 4.654 30 10 IJEE N#CCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586245026 MEVGMBGIOWOSKG-UHFFFAOYSA-N 425.215 4.611 30 10 IJEE CCN(CC)CCNC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586638112 FKWQDASYUPVECD-UHFFFAOYSA-N 441.601 4.633 30 10 IJEE N#Cc1ccc(Nc2ccc(I)cc2F)c(F)c1Br 697776014 RLFIQXQVZQJUOL-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 733196477 COPHLAFCFPNKGJ-HXUWFJFHSA-N 439.968 4.940 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(Cc2oc3ccccc3c2C)C1=O 734300865 XPSIKIICTGRKKU-OAQYLSRUSA-N 435.549 4.626 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 735310120 QIPLTWNFYFUGFE-FQEVSTJZSA-N 433.980 4.854 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1cc(Cl)cs1 783811170 TXHQEGDJPFUFLY-HNNXBMFYSA-N 427.776 4.683 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CCCN1C(=O)OC(C)(C)C 790248438 WKKLKSINPXNOCX-XMMPIXPASA-N 439.512 4.816 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802602393 JGMMCXSENLCYCZ-UHFFFAOYSA-N 434.559 4.689 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)[C@H](C)Oc2ccccc2C#N)cs1 919077270 HCWQRADRWXTYAK-INIZCTEOSA-N 435.505 4.519 30 10 IJEE Cc1cc(C)cc(N=C2C(=O)N(CN3CCN(Cc4ccccc4)CC3)c3ccccc32)c1 1084001295 VCFARDUXYXEKBA-UHFFFAOYSA-N 438.575 4.546 30 10 IJEE Oc1ccc(Br)cc1C=Nc1ccc(N2CCOCC2)cc1C(F)(F)F 1084495621 VOPPNYVYVSASPY-UHFFFAOYSA-N 429.236 4.761 30 10 IJEE CCOc1cc2c(cc1OCC)CN(C(=O)/C=C\c1cn(CCC#N)c3ccccc13)CC2 1087933103 RPCITRSRMLVQQL-KHPPLWFESA-N 443.547 4.950 30 10 IJEE C#CC[C@]1(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1128055633 IWRRGVKIYXSOJJ-OPAMFIHVSA-N 438.490 4.718 30 10 IJEE CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCN(c4ccsc4C#N)CC3)ccc21 1131128113 CJNWWAOEUYQQIX-UHFFFAOYSA-N 447.486 4.532 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 1138208532 WCAUAHAJMPYEKC-QFIPXVFZSA-N 425.960 4.702 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C(C)C 1144197072 CSQOYKVMWWIVTA-RPBOFIJWSA-N 432.564 4.569 30 10 IJEE C=CC1(CC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)CN(C(=O)OC(C)(C)C)C1 1150600025 HLPHBTVSYSWWDX-SFHVURJKSA-N 425.529 4.695 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1)c1ccccc1 1151695354 VNURVYVFWSWIMI-QFIPXVFZSA-N 427.976 4.521 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1170311263 QQJPMYLHAOMMGW-RBUKOAKNSA-N 429.948 4.622 30 10 IJEE C=CCn1c(SCCc2ccc(C(N)=O)cc2)nc2cc(-c3ccccc3)sc2c1=O 1188423681 QUZYFYMQCBCNOU-UHFFFAOYSA-N 447.585 4.745 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)cc1OC 1201802945 GTUMXMQUGCHKDZ-QGZVFWFLSA-N 444.728 4.638 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1202334894 FLFRZPBGHOSQAW-UHFFFAOYSA-N 447.000 4.917 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C)cc(C(=O)OC)c1 1209739855 YYMBCBZRRNQCCX-UHFFFAOYSA-N 435.293 4.903 30 10 IJEE C=CCCCCCCNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 1248566541 SMGFYDLNUNYTMT-UHFFFAOYSA-N 428.495 4.801 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 1264724583 YLIDDJOIEHBNPM-UHFFFAOYSA-N 434.467 4.581 30 10 IJEE C=CCn1cc(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)nn1 1264880237 DLVQAZFMZACMLC-UHFFFAOYSA-N 433.459 4.660 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CCOC)CC1 1286277412 CPQQYLDELVAWTL-RBUKOAKNSA-N 445.007 4.963 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)CC1CCC1 1286534822 DJBSWXNNNSJRGK-MRXNPFEDSA-N 449.393 4.962 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1SC 1286604013 MYDOIUIWLCWSKR-UHFFFAOYSA-N 444.004 4.945 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286604856 CWVQUNSQXDMMRI-UHFFFAOYSA-N 437.491 4.650 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(F)CCC2)CC1 1286647046 ZCIPHBBRISSXAO-IBGZPJMESA-N 447.599 4.831 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(c2ccnn2C)CC1 1286691173 CXMALFKFWKBTQR-UHFFFAOYSA-N 448.615 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@H]1C(C)C 1286748279 UTJIZPJIAMGNNP-OFNKIYASSA-N 437.563 4.676 30 10 IJEE C=CC[C@@H](C)NC(=O)c1ccnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1293502592 KXZADXHXYVBWII-GOSISDBHSA-N 441.531 4.815 30 10 IJEE CCCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1294019455 HBNODQRUHDNUFO-IBGZPJMESA-N 431.382 4.746 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCCC1(C)C 1297187113 WXRGECBRQQLTCT-OAQYLSRUSA-N 430.545 4.833 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1 1300745425 KJTMEBWBMVXESI-UHFFFAOYSA-N 431.339 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 1300877086 UIUDKACANILEPA-BEFAXECRSA-N 449.368 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1300890490 GYTDZIJBOJYJIY-KTIWRFAQSA-N 433.600 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCS1 1300912633 HMMQZEMASKLWPS-MOPGFXCFSA-N 449.665 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CC12CCOCC2 1300924784 IJYKKCFKXQGEHU-LJQANCHMSA-N 442.629 4.798 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC1(C)C 1300981192 TUXINMDRQACYLX-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CCN(CC)C(=O)OC(C)(C)C 1301341098 IBVQMQBJBVQAFL-UHFFFAOYSA-N 427.593 4.851 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1c(CC)noc1C 1301350800 AEOVUQGPYSDSFU-JOCHJYFZSA-N 439.535 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1301383897 JYJHMCKPQURTIG-VWNXMTODSA-N 429.568 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1301383921 KGVBNQYKENDFPJ-DEOSSOPVSA-N 430.600 4.608 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)C(F)(F)F 1301420653 HRXJEHPHAVZLAC-UHFFFAOYSA-N 433.478 4.721 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC=CO2)C1 1301537558 BVMIOZFVESTJEZ-YPAWHYETSA-N 438.572 4.509 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)N[C@H](CCc3ccccc3)C(F)F)n2)c(Cl)c1 1310465551 ANONDICAKCBDQP-QGZVFWFLSA-N 429.858 4.785 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CCCc1nccn1CCC 1310862924 AYWPVJHJYBAPJI-UHFFFAOYSA-N 435.366 4.717 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2cc(Br)cc(I)c2C)C1 1311064414 LTWFRHGXCFHWLR-NSHDSACASA-N 449.130 4.792 30 10 IJEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)s2)CC1 1313693380 DVMQHISYWZPGAF-UHFFFAOYSA-N 434.613 4.546 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)CCCN1C(=O)OC(C)(C)C 1356182822 MDOUHXUDLMJXTC-SANMLTNESA-N 442.575 4.937 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1358918582 ZSMQPGZDWWJPMA-HSZRJFAPSA-N 436.600 4.921 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1358934554 FRDYPEGQXXAVHO-PKTZIBPZSA-N 436.600 4.530 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1358936376 LYUSOSTWGWZLNS-LHUKNYEISA-N 439.431 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1cc(C)nc(N2CCCC2)c1 1359108341 KDMSSGXTXOLSCJ-UHFFFAOYSA-N 446.599 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1359112098 YSPQINXBJQRQQM-UHFFFAOYSA-N 434.588 4.592 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(C)CCCO2)CC1 1359159509 XXLSYTNSKHKNRG-NTKDMRAZSA-N 426.561 4.542 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1359162438 QNAPJRGCCLQXNF-UXHICEINSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCN(C)c2ccccc2F)CC1 1359177947 FNYNWBRPRXXKJC-JOCHJYFZSA-N 427.568 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359182798 TXPJWHRCCQYALJ-TZIWHRDSSA-N 439.604 4.753 30 10 IJEE C=CCC1(C(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CCCCC1 1360580456 FYEDIKVGDJGAAG-UHFFFAOYSA-N 442.419 4.644 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1ccccc1OC)[C@@H]1CCOc2ccc(Br)cc21 1435174090 DISQZLQGBPTBSO-KETLNSEPSA-N 440.337 4.847 30 10 IJEE Cc1cccc(-c2nnc3n2C[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC3)c1 1436349970 BDSHEJRUKNTMKB-GOSISDBHSA-N 429.524 4.504 30 10 IJEE N#Cc1cccc(NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Br 1436895471 ATSFKHXBZNNSFI-FVQBIDKESA-N 432.115 4.608 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(Br)cccc2C1 1442856996 GSKUVRKCCSBMAQ-GOSISDBHSA-N 437.378 4.583 30 10 IJEE C=C(C)[C@H](CO)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 1458984288 ZZLZTGPSFURPIA-FQEVSTJZSA-N 445.972 4.928 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1c(F)cccc1F 1459419281 PBUWQVIAIFWLEX-LBPRGKRZSA-N 427.264 4.882 30 10 IJEE CCC1(CC)CN(CCS(=O)(=O)c2ccc(C#N)cc2)c2ccc(Br)cc21 1459794232 CQQPYEHTFYTDSB-UHFFFAOYSA-N 447.398 4.672 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)cc1 1463239623 MYSKNYRMDAMMOF-UHFFFAOYSA-N 448.629 4.750 30 10 IJEE C#CC(C)(C)NC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1465166291 WBLIBNYMIJGKDD-HXUWFJFHSA-N 444.575 4.956 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cccnc2N2CCCC2)cc1 1465334825 GDUOLMUSLWDCFB-UHFFFAOYSA-N 441.535 4.649 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 1468102141 FUAZXEBMWLPQHP-QGZVFWFLSA-N 426.488 4.666 30 10 IJEE CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)Cc1cccc(C(=O)OC)c1C#N 1473209764 FWUHPZOQDHWFRK-UHFFFAOYSA-N 448.394 4.996 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 1476862534 ZBCYTIUUPBLVGG-UHFFFAOYSA-N 446.347 4.872 30 10 IJEE C=CCCCCCCNC(=O)N1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1478605980 PXYZJBMXBSLRDF-NHCUHLMSSA-N 437.625 4.617 30 10 IJEE CCC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1500119884 CAOHQTGYGUCXQU-QHCPKHFHSA-N 442.567 4.629 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@H](C)C2)cs1 1503921974 GLIURSSATMMZHF-GVDBMIGSSA-N 436.585 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507546991 SVXLDWQEWTWWJC-BXWFABGCSA-N 438.469 4.823 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1507787434 DKWSQPROGOBXKJ-LIRRHRJNSA-N 431.378 4.735 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccccc1Cl)N(C)C 1507815839 JXGLQEFEPJFTGZ-QFIPXVFZSA-N 439.007 4.623 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1507827258 CNYWDJMWAQKCKZ-NHYWBVRUSA-N 435.277 4.984 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2OC)C1 1507858028 AADJFXXQLXCXPY-INIZCTEOSA-N 430.339 4.749 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[C@H]2CCCCO2)CC1 1507896508 GYNWCDOGKCDJDB-OAQYLSRUSA-N 425.533 4.605 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2CCCCC2)CC1 1507909393 DMDYABBNMIHKLL-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1507920918 OTHQECQNGPZFNP-UHFFFAOYSA-N 449.643 4.655 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCO[C@@H]1C(C)C 1507971812 COKQDOJGMDXNEF-KBXCAEBGSA-N 437.357 4.530 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N(CC)CC)C1CC1 1507988060 IHLMRUZNZJAKOD-AWEZNQCLSA-N 438.439 4.654 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC12CCOCC2 1508011981 QQBTZWSIEXGQOC-KRWDZBQOSA-N 428.964 4.602 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1508109232 PQEFVTSIWONCSM-WMZHIEFXSA-N 448.615 4.768 30 10 IJEE C[C@]1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CC#N)CC2)CCCO1 1510343298 CJZSBMPNRLFKSS-OAQYLSRUSA-N 434.371 4.951 30 10 IJEE COc1cc(NC(=O)c2cc(C#N)ccc2C)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 1514924058 AMNJWYVRMVVFSI-IAGOWNOFSA-N 435.524 4.539 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCSC(C)C)cc1OC 1516270095 BWOFXUVEMRPQDQ-HSZRJFAPSA-N 443.617 4.624 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(I)c2)c1 1520377526 STPUODATQJTBOI-UHFFFAOYSA-N 427.241 4.713 30 10 IJEE C=CCN(C(=O)CCc1ccccc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1522165364 HENBLNHJYLHJFJ-NRFANRHFSA-N 444.369 4.571 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](CC(=O)OC)c2cccc3ccccc23)cc1OC 1524553588 YUXAGYQZQJDYRJ-ODFVOIPKSA-N 445.515 4.847 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C 1525890635 QEEWDOSKHBSYAE-NRFANRHFSA-N 437.471 4.513 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 1532027629 NPZYZEHATAMEKY-MJGOQNOKSA-N 427.369 4.808 30 10 IJEE C=CCOCCCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1532865222 ZHFISGHPDQFUFJ-UHFFFAOYSA-N 425.326 4.987 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@H](C3CCCC3)C2)nnc1-c1ccc(Cl)cc1 1536829266 ZFJQSIZZKJLFMP-GOSISDBHSA-N 431.005 4.915 30 10 IJEE C=CCCC[C@@H](NC(=O)COc1cccc(I)c1)c1ccccc1 1537033106 YZJLCIZNPNICPX-LJQANCHMSA-N 435.305 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCNc1ncc(Cl)cc1Cl 1538987715 VWLSHIVHSWCFRP-ZDUSSCGKSA-N 449.773 4.870 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1539028979 FNCGTIQJBQMOPD-ZJSXRUAMSA-N 431.584 4.767 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCc1sc(C)nc1C 1539036226 ZDELWHRLBZSQLO-MRXNPFEDSA-N 425.627 4.653 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(Cl)cc2C1 1539078017 QLQHHFWPGQEXPM-UHFFFAOYSA-N 425.989 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC[C@@H]1CCCCO1 1539542179 UYOYDOKURRZYCP-SIKLNZKXSA-N 443.389 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCCO1 1539622033 VAYYCHMGEZDQDL-TYPHKJRUSA-N 430.980 4.585 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1539691359 WVGUQLOUAQWLSH-GOSISDBHSA-N 445.405 4.724 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C[C@@H]1CC=CCC1 1539779875 HXTNVJDBLYFSSV-MRXNPFEDSA-N 432.952 4.516 30 10 IJEE CC(C)c1ccc(Oc2cc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)ccn2)cc1 1539781297 AMDKHSFJMWBMAE-UHFFFAOYSA-N 444.510 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1539905742 GGXWDKWOQSAHSC-SFHVURJKSA-N 444.645 4.823 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1C(C)(C)C)c1ccccc1 1539947379 JNDWBRFQERFGJL-JKYVINEHSA-N 438.616 4.708 30 10 IJEE C=CCCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCS(=O)CC1 1539952918 BFZJTFOMDJCSCH-UHFFFAOYSA-N 444.601 4.738 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(=C)CC1 1539960869 HYLWNDQCHAIRSS-UHFFFAOYSA-N 432.572 4.578 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539974170 MAFOIAACIDAGCX-JOCHJYFZSA-N 434.588 4.769 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1nc(C)c(C)s1 1540056461 IEEFFSQAMNUINT-UHFFFAOYSA-N 446.418 4.954 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC(C)CC1 1540179881 CICDTJHCNONQIA-JOCHJYFZSA-N 432.616 4.629 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1540735982 NVUQBWWDTSYEHO-HXUWFJFHSA-N 436.512 4.934 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)OC(C)(C)C1 1540913959 YRAJUILVPIVCPZ-QGZVFWFLSA-N 439.585 4.523 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1541490855 GSEKBKGCJCFVAC-YADHBBJMSA-N 437.588 4.560 30 10 IJEE C=CCCOCC(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 1543956521 SGAGBTWMRVUOAT-UHFFFAOYSA-N 429.270 4.664 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)c1 1562156207 YOENGEWQHZIWFZ-UHFFFAOYSA-N 431.439 4.936 30 10 IJEE C=CCCSCCNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br 1562594739 IQHNPUYZODUISI-UHFFFAOYSA-N 429.380 4.835 30 10 IJEE C#CCOc1ccccc1NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1567743903 QSWZCMXTPANTEC-FQEVSTJZSA-N 437.540 4.752 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 1567992498 YHUQUAJGUQXVKZ-FGZHOGPDSA-N 443.632 4.653 30 10 IJEE C=CC1(CC(=O)Nc2cccc(-c3cccc(OCC)c3)n2)CN(C(=O)OC(C)(C)C)C1 1568684149 WPDPLOLLEBMXFM-UHFFFAOYSA-N 437.540 4.899 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1583251037 CEYFOEMQEPFEDQ-DEOSSOPVSA-N 429.536 4.548 30 10 IJEE C#C[C@@H](CCC)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1583570830 MOCCXKBNIVYRNR-IBGZPJMESA-N 436.939 4.761 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)O[C@@H](C)C2 1586043321 BZMDGSOTKHTBHY-IWEFOYFVSA-N 446.425 4.921 30 10 IJEE CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1586933432 AOXCBZPYFJPBPC-KJXAQDMKSA-N 435.955 4.749 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cn(CCCC)nc1C 1587561657 GIYJSAJTPDOLHU-UGKGYDQZSA-N 448.615 4.846 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCO[C@@H]1CCCC[C@H]1C 1587575422 VIOPFORTOIWWRU-FUHIMQAGSA-N 445.405 4.761 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(c2nccs2)CC1 1587783256 MYEQRTFQEUNFMJ-UHFFFAOYSA-N 435.597 4.810 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1csc(C)c1 1588604919 RYYYHUDBSVFNMH-UHFFFAOYSA-N 435.380 4.756 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C)[C@H](C)C1 1588984165 GLHQGWHSCMGKSR-DSKINZAPSA-N 426.630 4.884 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCc2sccc2[C@@H]1CC 1589089514 SPAGNRIKWWEEQA-FQEVSTJZSA-N 440.613 4.950 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1589367226 QQCPOQUIERARRW-NRFANRHFSA-N 449.393 4.504 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1589543737 BEFORBIBZHUKPB-REWPJTCUSA-N 439.991 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCC1CCC(OC)CC1 1589675483 DJBFFWQRAUPQNJ-UHFFFAOYSA-N 436.604 4.514 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(Br)o1 1593642973 JBOWFVRUKBNKCE-UHFFFAOYSA-N 437.288 4.715 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1593721987 IVYUGWSSQWFPIY-UHFFFAOYSA-N 447.583 4.597 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(F)(F)F)CC1 1594202920 VJVPGWYOZBAZCQ-UHFFFAOYSA-N 445.283 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccccc2OC(F)F)CC1 1594229229 JRDOXPZEONLLTF-UHFFFAOYSA-N 439.510 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C1CCC1 1594461299 PKRXTSKAPYCYDV-OAQYLSRUSA-N 442.629 4.720 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1594634214 JMBCRKAPODBDCU-UHFFFAOYSA-N 439.604 4.748 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCc2c(ccnc2O)C1 1594679956 LJRLHMFZCOALIJ-LJQANCHMSA-N 433.556 4.664 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CC=CCC1 1594720811 XRQKXWILYJJKKZ-HXUWFJFHSA-N 446.599 4.824 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCC 1595115737 MAKFBJSCIYKPSI-QFIPXVFZSA-N 433.556 4.554 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CSCCS1 1595178616 LXRBPYHHQXNQEG-SFHVURJKSA-N 437.638 4.829 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](CC)O[C@H](C)C1 1595854414 AIYKKVWKTWVRLD-WBVHZDCISA-N 437.009 4.530 30 10 IJEE CCCn1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1C 1596598767 HTZYHZYUZMAWOT-UHFFFAOYSA-N 433.459 4.792 30 10 IJEE Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)c(C)c1 1597401192 GZCRAWCMBJURSM-HXUWFJFHSA-N 425.488 4.959 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCO[C@@H]1C(C)C 1613811776 DCCBTTCFKJGPRS-ZILOHOTNSA-N 439.604 4.609 30 10 IJEE C=CCN(C(=O)CN(C(C)C)C1COC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1618122389 KXVJFEGLZZXXBN-UHFFFAOYSA-N 440.396 4.745 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H](c1ccccc1F)C1CCCC1 1621899033 FISLQFPZPTXRRT-LJQANCHMSA-N 437.334 4.670 30 10 IJEE C=CCONC(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1623296308 AAAPLQUAMLZATN-UHFFFAOYSA-N 431.290 4.751 30 10 IJEE Cc1csc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c1C#N 1624564117 FCJZUTCNVFOJSP-MRXNPFEDSA-N 432.505 4.648 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nncs2)cc1 1625115456 KCBPAAVTAVSHEJ-INIZCTEOSA-N 434.587 4.877 30 10 IJEE C#CC[C@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1633351111 KQQLBEFPPLVXOL-VJBWXMMDSA-N 439.600 4.962 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 1634735489 UIOPWNMWTVFZOG-UHFFFAOYSA-N 433.899 4.588 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)cc1OC 1640259523 KJYWSXPJQVWWRU-JQYPEGPJSA-N 426.944 4.569 30 10 IJEE C=CCn1c(SCc2nc(C(C)(C)C)no2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640556724 YQVJEXDHVNHDSR-LBPRGKRZSA-N 430.599 4.742 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 1640698769 UCFZYVKWTIRTGL-INIZCTEOSA-N 432.870 4.667 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc2sc(Nc3ccccc3)nc2s1)C(=O)OCC 1642684180 YCFMEJQLAIWDDL-ZDUSSCGKSA-N 435.958 4.906 30 10 IJEE CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccc(F)cc1 1645003796 GBZSLZHNTXYXPQ-QHCPKHFHSA-N 434.515 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(OC)C1CC1 1649540681 YOMJOROCWQHPRA-HFJWLAOPSA-N 431.584 4.626 30 10 IJEE C=CCn1c(Sc2nccc(Oc3cccc(C#N)c3)n2)nnc1-c1ccccc1F 1651335318 VXAIRMAEWVRZRX-UHFFFAOYSA-N 430.468 4.875 30 10 IJEE C=CCCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1-c1ccccc1 1652379866 MNEPEKCEQVJBCL-UHFFFAOYSA-N 442.610 4.633 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1cc(Br)cnc1OC 1653289273 CWPNUCXRWGPITE-UHFFFAOYSA-N 444.142 4.943 30 10 IJEE C#CCN(Cc1cccnc1C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1653391430 FOYVOGMXIGOTJS-MRXNPFEDSA-N 425.248 4.822 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(O[C@H]3CCOC3)cc2)cc1OC 1655671602 MYRYGSJTSOXLNU-SFHVURJKSA-N 434.330 4.802 30 10 IJEE C#Cc1cccc(N(C)CC(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 1657206010 JNSKCPJCSUNQQF-RUZDIDTESA-N 437.543 4.542 30 10 IJEE C#CCN(CC#N)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 1658389121 DFCXMWYTGNKDPX-UHFFFAOYSA-N 447.604 4.553 30 10 IJEE C#Cc1ccc(NC(=O)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)cc1 1665210976 AQXLPDSQXSOWJP-HXUWFJFHSA-N 427.342 4.952 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 1667533581 SEWJWUVXNIULRP-IBGZPJMESA-N 430.508 4.542 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)CCCC1(C)C 1667570890 NOCDSRLCTZEFSU-OAQYLSRUSA-N 433.618 4.768 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(OC(F)F)c(F)c2)cc1 1668389773 SQSAIISUSNEBDJ-UHFFFAOYSA-N 433.430 4.563 30 10 IJEE COc1cc(OC)cc(Oc2cccc(CNC(=O)Nc3ccc(C#N)cc3OC)c2)c1 1668543875 BTRQXLYFIMHMQL-UHFFFAOYSA-N 433.464 4.698 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1ccc(F)c(F)c1 1668689380 MDMIBIUKEDURQW-QGZVFWFLSA-N 434.277 4.603 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccc(Br)cc1 1674025648 KAOCFQRSRCMYLM-PXNSSMCTSA-N 443.316 4.567 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2ccc(C)c(Br)c2C1)c1ccc(Br)cc1 1674030353 DTEDOCKMSWLIFI-QGZVFWFLSA-N 448.158 4.920 30 10 IJEE C=CCC[C@H](NC(=O)N[C@]1(CO)C[C@H](OCC)C1(C)C)c1ccc(C(F)(F)F)cc1 1680854283 DRVJEHHDZWOBFD-WFXMLNOXSA-N 428.495 4.578 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCC1 1681084858 JBRYXSZSFBMWEA-NHCUHLMSSA-N 449.636 4.617 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)C1 1681771274 QMDFFTCOKBYKSD-QHCPKHFHSA-N 447.579 4.738 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)CC2)cc1 1682201403 GFAJHHOIHJWWAU-HXUWFJFHSA-N 441.362 4.943 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)CC1 1684576990 BWGVLZARQGOFPZ-XMMPIXPASA-N 438.522 4.990 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21)c1ccc(C(F)(F)F)cc1 1685817299 LDVCBQWAYIOBND-PMACEKPBSA-N 431.458 4.725 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC[C@@H]1CCCCO1 1689839254 FCCAYHYKILAJSO-SFTDATJTSA-N 448.567 4.924 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN(C)C(C)C 1690061370 VZPBIJZTSIUDQR-UHFFFAOYSA-N 436.629 4.567 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1690228811 GOBMJVDTUIGIEK-UHFFFAOYSA-N 448.365 4.853 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CC)Cc1ccc(OC)cc1 1690245909 OJGLGFNFWSUPMF-NZQKXSOJSA-N 426.605 4.883 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690306231 QCLCKDHQRUFDNS-SANMLTNESA-N 449.599 4.727 30 10 IJEE C=C1CCN(c2nnc(-c3cccc4cccnc34)n2CCN(C)C(=O)OC(C)(C)C)CC1 1690369243 CYJOEDBZHBEOOV-UHFFFAOYSA-N 448.571 4.517 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690379242 MWZKYLZZMZZDSV-UHFFFAOYSA-N 439.604 4.523 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2C(F)(F)F)CC1 1690394930 RDCFHBWZJPLAIV-UHFFFAOYSA-N 449.521 4.666 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](OC)C(C)C)CC1 1690404378 BHQIOOZONCLBOM-HSZRJFAPSA-N 442.604 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1690435873 HTGNCZYDMCIUJT-UHFFFAOYSA-N 437.613 4.565 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCC1CCOCC1 1690533776 VVNINNLASUKQBK-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@H](O)C1 1690575878 FAUKJOUJFSKRFW-ROUUACIJSA-N 426.561 4.889 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)c(C)c1 1690607861 VSTSIRHRCKZQHN-UHFFFAOYSA-N 431.515 4.972 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1690750293 FOYNLJYZXYTUFC-RBBKRZOGSA-N 437.613 4.807 30 10 IJEE C=CCSCCn1c(COCC)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 1690751087 VRXFJXACSYDCRK-KRWDZBQOSA-N 443.642 4.728 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(C)C)s1 1693307002 GCZBCAFGEYHSLF-KRWDZBQOSA-N 438.601 4.780 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)c1nc(C)cs1 1705480218 PQYOKLYFYDFYFY-HIFRSBDPSA-N 431.512 4.573 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CCC)CCC1 1705592041 PHIZHBGMRWRMPH-UHFFFAOYSA-N 426.568 4.769 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCOc1ccc(F)c(Cl)c1 1705672030 IFDVELPUJMQKRI-HSZRJFAPSA-N 439.922 4.512 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(OC)C1 1705680705 FQEUUTVAJQQNJV-GHTZIAJQSA-N 433.394 4.734 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1SC 1705699548 IMBXAZFSRIOSHX-NFBKMPQASA-N 449.624 4.988 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2csc(CC)n2)CC1 1705784792 JGVPKMQVZMYNBY-UHFFFAOYSA-N 444.004 4.980 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCC(C)(C)COC 1705838709 YYLGCYVPMLDCID-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1705861832 QKAOENQLBNVXHI-IBGZPJMESA-N 439.604 4.851 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(OCC)CCCC2)C1 1705920885 GUZWKKJNMFWOSK-GOSISDBHSA-N 448.970 4.868 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CC1CCN(Cc2cccs2)CC1 1706745500 BLZRNSNDPGRPLR-LJQANCHMSA-N 434.613 4.657 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(CCC(C)C)C2CC2)ccn1 1712765186 ICXNLPJPXHANNA-UHFFFAOYSA-N 432.597 4.997 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SC)C1 1722307440 WKNLZDHVDYICOJ-NRFANRHFSA-N 439.629 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC(=C)Cl 1722470388 FBUSINVSULQKNZ-HSZRJFAPSA-N 428.964 4.877 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722496818 NSOQZLLBJRTAMM-UTKZUKDTSA-N 441.938 4.750 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nccn2C(F)F)CC1 1722564355 OKCDDDMEYOTVIZ-SFHVURJKSA-N 442.514 4.831 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCN(CC)CCC(F)(F)F)CC1 1722576971 XNZNRZQFGHNRQV-UHFFFAOYSA-N 425.499 4.523 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOC2CCCC2)CC1 1722582066 GFQAZQKIPNHMQY-UHFFFAOYSA-N 430.543 4.899 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1722590465 FEUYCLNTFVMZMF-NQIIRXRSSA-N 440.588 4.743 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(C)ccc21)C(C)C 1722665222 LLVHCCOJCCWWQD-UKILVPOCSA-N 449.643 4.873 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(F)c(Cl)c1 1722676089 VFBSGIONODZHOS-UHFFFAOYSA-N 436.922 4.536 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1722685969 PCPVNLGNGLEHOU-QYZOEREBSA-N 449.665 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCC(C(F)(F)F)CC2)C1 1722718666 UDQJGVNWKUSKKM-DAWZGUTISA-N 438.494 4.997 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2ccsc2)C1 1722723340 XSCCQQSXCQCLTD-FQEVSTJZSA-N 428.989 4.608 30 10 IJEE COC1(CCn2c(COc3cc(C)ccc3C)nnc2N2CCC(CC#N)CC2)CCC1 1729938363 FGQQXJLOGLBNGM-UHFFFAOYSA-N 437.588 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCOC1CCCC1 1740535653 SSQBILBUYJFKSG-ZWKOTPCHSA-N 430.980 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1C[C@H](C)O[C@@H](C)C1 1740541258 VVDYCYULHKUTOD-UFYCRDLUSA-N 448.567 4.779 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740567557 LHWUTJQETRPAGT-VDZJLULYSA-N 430.394 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1ccc(OC(F)F)c(OCC)c1 1740724343 ADGVUEBBZMUEDE-WAIKUNEKSA-N 432.515 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCOC1CCCC1 1740727465 MSSUJCZPRLXIMF-XMMPIXPASA-N 444.526 4.888 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCC)C1 1740741234 HQJNGWZZPMDOIA-CQSZACIVSA-N 425.758 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)CCC 1740762440 TZOCBPNDWVVNPF-VKGYTVAMSA-N 440.588 4.644 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740771167 VBLGOCBYBIVNLY-NHCUHLMSSA-N 425.621 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccs1)N1CCCC1 1740772720 LPABNTQFQQIXAK-UXHICEINSA-N 429.634 4.821 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCSCC(F)(F)F)CC1 1740828979 FSAPQSZJNXCUFF-UHFFFAOYSA-N 446.926 4.962 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnn(CC(C)C)c2C)CC1 1740841095 ICIIGVPDUJIEID-UHFFFAOYSA-N 448.615 4.511 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@](C)(O)C2CC2)CC1 1740841857 CRLFWCVPWQEJSG-JOCHJYFZSA-N 433.021 4.787 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CC1CCC1 1740876245 PLKPHBVDYIPUDX-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1740880434 ZEUFEDXCIPRDBC-UHFFFAOYSA-N 447.967 4.665 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1Cc1ccsc1Br 1740915374 DWBNUOYYELCBMP-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN1CCCCC1 1740921014 IYISDEXZMBLXKI-HXUWFJFHSA-N 436.579 4.727 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@H]1CCCC[C@H]1C 1748649210 LGCDAOPPDNYGQG-UWVAXJGDSA-N 432.515 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(CSC)c1 1748686999 AOAMKIAYPWEVRO-IOMROCGXSA-N 426.630 4.566 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(CC)CCOCC1 1748867859 NFZLREIQVPTJFY-HSZRJFAPSA-N 448.611 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1749147853 RQBIZWOGHQZJNZ-CMKODMSKSA-N 440.588 4.810 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1749169437 YYVIYFNHISTXPV-LJQANCHMSA-N 434.588 4.638 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nc(C)cs2)CC1 1749288420 WHTXXVHICHXKLH-UHFFFAOYSA-N 448.365 4.816 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1749347945 VMCYYAILKVIXMO-PMERELPUSA-N 446.686 4.828 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749367718 ZLAYUXKJYAIFLS-HXUWFJFHSA-N 425.625 4.663 30 10 IJEE C=CC[C@@H](Cn1c(N2CCCC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1749385368 QEKPMIMZNDLBKW-BKMJKUGQSA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2Cl)CC1 1749403474 AFZMYDHVSVQOCM-UHFFFAOYSA-N 436.991 4.600 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC2(CCOCC2)C1 1749420681 JPZODUCEKKQEFT-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC[C@H]1CCO[C@@H](C)C1 1749552910 KNOQQNQTFVMYGH-FPOVZHCZSA-N 437.613 4.723 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1C[C@H](C)O[C@@H](C)C1 1749564431 WFDJMPWPXNZUIM-IRXDYDNUSA-N 430.980 4.989 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1ncc(C)s1 1749587470 VRQLOMGFTFUPSF-QGZVFWFLSA-N 436.585 4.680 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1749690620 ZMSFTDJEEHBVRA-UHFFFAOYSA-N 433.581 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)N(C)C2CC2)C1 1749700369 JXEWMIANTVSTBU-WMZHIEFXSA-N 437.632 4.507 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCOC[C@@H]1C 1749745428 ZMOLCKGQYNKGNZ-AWEZNQCLSA-N 435.018 4.958 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1750228063 GRZNGBPOKQQOGO-WMQCIHAUSA-N 439.629 4.885 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1CCCCO1 1751245635 IFXXPWQCSCZNIJ-HBFSDRIKSA-N 429.540 4.645 30 10 IJEE C[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNc1ncc(Cl)cc1Cl 1752185125 CZQHGBKHLOSUKW-AWEZNQCLSA-N 442.354 4.619 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(OC)CC1 1760130768 LQHBRNXUNDHDCC-NTKDMRAZSA-N 428.552 4.756 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cc(C)ccc1OC 1760173511 XOJRPGPSSRSGIA-UHFFFAOYSA-N 434.609 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCOC1CCCCCC1 1760211951 OWHLWHCITWGTSC-UHFFFAOYSA-N 444.623 4.950 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](CC)N1CCCC1 1760213720 NJEDSGVSRRVZCI-XMMPIXPASA-N 431.628 4.580 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)CCOC)CC1 1760385745 WSRXZYOISYIRGP-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](C(=O)OC)C1 1760423354 WTHRFBIXVPQDAM-ZWKOTPCHSA-N 442.629 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCS1 1760490817 KPZLAZQNECYHKF-MRXNPFEDSA-N 449.418 4.790 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C)CCC1 1760502185 QRIXPUUBHUSBJP-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCSC[C@H]2C)cc1 1760529754 GDSOPEYWVNLHIE-MRXNPFEDSA-N 441.988 4.548 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1 1762641698 HBAHOMTWZCHMBE-INIZCTEOSA-N 446.580 4.966 30 10 IJEE CCCN1C(=O)/C(=C/c2cccc(O[C@@H](CC)C(=O)O)c2)SC1=Nc1nc(C)cs1 1772761842 KWTQYVMXDGUTBN-AGRJFPJCSA-N 445.566 4.708 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)c1C#N 1860656675 UMHXVTYIHQXNNC-VGMNTSGFSA-N 439.556 4.947 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1862222376 MCIROXRMSOCEIW-NRFANRHFSA-N 435.008 4.991 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 1862470550 QRSQDDJRAHZSGD-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480172 ZPVMVPJGMIVTHQ-HSZRJFAPSA-N 434.580 4.823 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862540429 NOVBXWYTZYFZNJ-HXUWFJFHSA-N 443.927 4.851 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Cl)c1 1862607543 RIGITSXXDYMLJX-OAQYLSRUSA-N 441.911 4.736 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1Cl 1862632752 WMGMMUVTCXXYTH-IBGZPJMESA-N 448.302 4.956 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862672372 BNSWDRKENCGVHK-NRFANRHFSA-N 437.492 4.717 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862684262 SMLBSZXLQSUNNH-OYHNWAKOSA-N 441.499 4.998 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(Cl)cccc1Cl 1862760930 ZEOUVJZHRPMZOX-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CCCOc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccccc2C#N)C1=O 1863119981 PPVFYUFYKLGQFK-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE CC(C)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863365794 LWQZOTYMHKSLBC-UHFFFAOYSA-N 437.499 4.738 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccccc2OC)C1=O 1863426589 CNVGUPZVJWNMNN-UHFFFAOYSA-N 440.499 4.652 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCO)=C(c2ccc(OC(C)C)cc2)C1=O 1863695470 KTKDISPFDNXRGP-UHFFFAOYSA-N 444.616 4.666 30 10 IJEE CSCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866999478 GMTANUHOYSRCBR-NHCUHLMSSA-N 441.984 4.582 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(-c2ccccc2)n1 1867972954 VTPFZAOOLUNXBD-UHFFFAOYSA-N 442.563 4.902 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCCC)N=C1NS(=O)(=O)c2ccccc21 1869933923 RSCCYEQRYTWFFK-FQEVSTJZSA-N 435.634 4.541 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)c1ccccc1C(F)(F)F 1870112418 CDKVTCJOWRPJCT-UHFFFAOYSA-N 440.212 4.776 30 10 IJEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN(CC)CCCC)cc1=O 1870386926 JRNXCZIHKQRWCL-RUZDIDTESA-N 437.628 4.872 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1cc(C)ccc1C 1870872460 GZYGFOWUFLVVMQ-UHFFFAOYSA-N 428.573 4.990 30 10 IJEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCCO)C4)C2=O)c2ccccc21 1871353060 BLSWVURZNJODIC-OYKKKHCWSA-N 446.547 4.900 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)c1OC 1871364221 LZBWDNBJCUCDMW-HMAPJEAMSA-N 446.455 4.613 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871369948 BIMVDMDEHFNFNT-UCQKPKSFSA-N 430.456 4.913 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)c3ccc(NC(C)=O)cc3)ccc2C1=O 1871432304 CPUXIPYTKZCSBG-MXAYSNPKSA-N 443.455 4.532 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871750988 PBHWTILLWMJMRN-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871861304 DSLLQPQLYXPGSH-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCCC 1872210982 SEOAUGSWSOWACB-HSZRJFAPSA-N 428.598 4.997 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872265427 HLQMSLHBWCUGIN-LJQANCHMSA-N 442.915 4.602 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872441782 SRPBQYOYDGVHGO-VGOFRKELSA-N 432.561 4.754 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)c([N+](=O)[O-])cc1OC 1872764413 MIEUXWCOIGITIA-ZDUSSCGKSA-N 443.868 4.879 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)c([N+](=O)[O-])cc1OC 1872768828 CXRATJDJTYKKCS-INIZCTEOSA-N 437.477 4.842 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873595881 WHRFXFGWXXSQCM-UHFFFAOYSA-N 435.572 4.660 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(NC(C)=O)ccc1C)n2CCC 1873656689 HOINGYJQLUOLJO-UHFFFAOYSA-N 446.555 4.539 30 10 IJEE Oc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1O 1874355539 OZYAORSWHRQSBR-AFUMVMLFSA-N 446.532 4.581 30 10 IJEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1nc(O)c2ccccc2n1 1874440137 KYMPXVBNSXVBSK-AFUMVMLFSA-N 446.580 4.998 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccccc1O 1874476274 IMLJPOZDTNIMMA-BUVRLJJBSA-N 437.569 4.502 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(Cl)c2)o1 1874481581 CYRJJFSOISPXQB-SSDVNMTOSA-N 432.933 4.783 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc(Cl)c1 1874504897 HBZASVFOKBOHKY-FSJBWODESA-N 431.924 4.636 30 10 IJEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1874634180 ORYNTZPEONGEGE-CMDGGOBGSA-N 426.509 4.857 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1ccc2c(c1)OCO2 1874698697 JUFKWHUTVPWQRA-JXMROGBWSA-N 432.428 4.548 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875117675 HOPNJZXDEGYOAP-VZUCSPMQSA-N 448.387 4.627 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)COCCOC 1875134554 XZNGPADTCNWYDD-PKNBQFBNSA-N 438.520 4.505 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 1890503144 PGTBCRHETIDRDX-UHFFFAOYSA-N 430.892 4.922 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1)c1ncccc1C#N 1891376375 SPNHPVUJMSECOE-UHFFFAOYSA-N 444.510 4.873 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(F)cncc2Br)C1 1892695033 KHUHAUBFYFSRIS-MRXNPFEDSA-N 428.346 4.637 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]21 1912177444 FAKLUJWJFWQCFJ-DRSNIGMVSA-N 448.568 4.996 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2014555253 DKHZRRYYOQPKNR-BTYIYWSLSA-N 436.557 4.852 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]([C@@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 2023567071 VLWREAFIXVEMBE-WHSLLNHNSA-N 436.557 4.900 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@H]1CCC[C@@](C#N)(NC2CC2)C1)Cc1ccccc1 2034740131 UNQUBCULLGACLX-XTEPFMGCSA-N 430.640 4.825 30 10 IJEE N#Cc1ncc(Br)cc1Nc1cc(Br)cc(Br)c1 2048647236 CLNSCUDHJQNKFW-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4C(=O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2054623570 FYASCXLQDJNFAF-QPXWWUKDSA-N 428.613 4.893 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1F 2102881855 GAWMYBAXOPIUKX-AEFFLSMTSA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)NCCOc1ccc(Nc2cc(Br)ccc2C#N)cc1 2162420467 VPXBJUVKNDRRQG-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE CC(C)CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cnc1C#N 2174712513 QLIFRHAVDFIPAT-INIZCTEOSA-N 437.382 4.578 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2ccc(Br)cc2Cl)C3)OC1(C)C 2194124656 MPMXTXXRSAGKJF-BLVKFPJESA-N 440.574 4.801 30 10 IJEE C=C([C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221680055 NMDQDZBPBSTXDA-IAGOWNOFSA-N 428.443 4.679 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224093086 FRDULDSBVAMFDW-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@H]2CNCC[C@@H]21 2233795307 ONCJRNRLJSJJOQ-XERREHJYSA-N 434.378 4.863 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(N)C#Cc2ccccc2Br)C1 2235736050 WIXWXARVABNMNA-VXKWHMMOSA-N 433.390 4.699 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2235747739 SGPLNINHMFZMLG-JPLJXNOCSA-N 433.390 4.567 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2262206198 NSDHUNXTGXNFBK-WATLYSKOSA-N 447.572 4.703 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)cc2Br)[C@H](C(F)(F)F)C1 2281039303 BAKLUIYJMFBFAT-DOMZBBRYSA-N 448.283 4.745 30 10 IJEE C=CCCC1([C@@H](Cc2ccc(Br)cc2F)NC)CN(C(=O)OC(C)(C)C)C1 2281042139 PCEDZPQEMKPNAP-GOSISDBHSA-N 441.385 4.922 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@@H](C#N)CC23CC3)ccc1Br 2288841392 CPFWIVGKYSITJC-CYBMUJFWSA-N 434.334 4.704 30 10 IJEE CCc1ccc(Nc2ccccc2S(=O)(=O)C(=CNN)C(=O)c2ccc(C)cc2C)cc1 2295362216 RCTISQJHRBOFTN-UHFFFAOYSA-N 449.576 4.571 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](N)(C#Cc2ccc(Br)cc2)C(F)(F)CC1 2296233134 UTCKRCYFMDTBGQ-LJQANCHMSA-N 443.332 4.554 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(CC(=O)C#Cc1ccc(Br)cc1)C(F)(F)F 2296278389 CYVZXAZHVTZSIH-SFHVURJKSA-N 448.279 4.853 30 10 IJEE COc1cc([C@@H](N)C#Cc2ccc(Br)cc2)ccc1NC(=O)OC(C)(C)C 2296302880 OYOXFHCCCMUDSH-KRWDZBQOSA-N 431.330 4.856 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2296310374 JAFPZPGIZSNIOF-MTFMMBMASA-N 433.390 4.567 30 10 IJEE O=C1C(=CNCc2ccc(Cl)cc2)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 2297334919 ODFRZBGRKOWCAW-UHFFFAOYSA-N 438.936 4.504 30 10 IJEE C=CCOc1c(Cl)cc(C=C2N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC 2297532929 JZCRLMLZRVHYAK-UHFFFAOYSA-N 449.246 4.820 30 10 IJEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)c1ccccc1 2314437170 FCECQHMNUHQDIG-XMMPIXPASA-N 445.427 4.894 30 10 IJEE CC(C)[C@H]1C[C@@](N)(C#Cc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321371540 AKJUANUPVLASSI-GGAORHGYSA-N 441.369 4.565 30 10 IJEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323688023 JFPAYQAHJPVGMG-UHFFFAOYSA-N 445.427 4.894 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)OCC(C)C 2324077912 XNQHXKQWFYLVNQ-UHFFFAOYSA-N 446.883 4.551 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c1 2324630805 CUFDHNLTCAMYMR-QGZVFWFLSA-N 438.480 4.865 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(O)c(O)c1 2327388745 DJUGVAIVIXNIII-UHFFFAOYSA-N 426.542 4.605 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccncc2)cc1 2330251376 BKQYSDAHZFUIBN-UHFFFAOYSA-N 436.541 4.879 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(=O)C1CC1 2331036092 HSJJCSHCSYHKGH-UHFFFAOYSA-N 446.253 4.577 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C(F)(F)F)cc(Cl)c1O 2331136210 HLQMOEXEDIGXAD-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccccc1F)c1ccccc1 2331543708 ITBXAQHAXSSWSM-MRXNPFEDSA-N 437.544 4.536 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2F)cc1 2331684607 ZGPGLTQXDWHGEK-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331716341 SPQYYYCZZMADTP-UHFFFAOYSA-N 449.895 4.982 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CC2)c1 2331724957 DIKDSLOYNAHMPU-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE Cc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c([N+](=O)[O-])c2)c(C)c1 2331769726 ITLLCKXWYHPXQV-UHFFFAOYSA-N 431.448 4.734 30 10 IJEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)c1cc(Br)cs1 2337341936 ZJCPNZKOQZKGNN-UHFFFAOYSA-N 426.185 4.693 30 10 IJEE Cc1cc(Sc2cc(I)ccc2Br)c(C#N)cc1N 2338406645 RDBTTZZCJYZTTN-UHFFFAOYSA-N 445.123 4.967 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339537070 TXGQTGOICSTGMH-IBGZPJMESA-N 443.397 4.610 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CCOC[C@H]3OCc3ccccc3)nc2)OC1(C)C 2339545369 VLJMVLGSQLNUNM-FGZHOGPDSA-N 436.361 4.512 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574248 FOCRPTVUOWVAJY-SFHVURJKSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2360197609 QMYVDKJVJBHICX-FUOQNJDISA-N 433.390 4.602 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CN(Cc3ccccc3)CC3(CCC3)C2)n1 2362166929 GDDBMIWOGMYZKD-QHCPKHFHSA-N 447.432 4.546 30 10 IJEE Cc1cc(CNC[C@]2(C)CN(Cc3ccccc3)C[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678441 DUXMGTAHBZJWTQ-SKCUWOTOSA-N 448.460 4.542 30 10 IJEE CCOc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)/C(=C\Nc1ccc(C)c(C)c1)C2=O 8857372 YDZUKXFBZWEOBU-KDMTZKAISA-N 448.441 4.623 30 10 IJEE Cc1ccc(-c2nc(SCC(=O)Nc3ccc(C(C)(C)C)cc3)[nH]c(=O)c2C#N)cc1 9004943 ORMSHKOVKFFFQC-UHFFFAOYSA-N 432.549 4.645 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)Nc1ccccc1Cl 20905237 SMDQESGXNAURTO-FSJBWODESA-N 436.928 4.788 30 10 IJEE O=C1CCCC2=C1[C@H](c1ccccc1Cl)n1ncc(C(=O)Nc3ccc(F)cc3)c1N2 64874103 SPEVFSKIKWLBEB-NRFANRHFSA-N 436.874 4.950 30 10 IJEE O=C1C[C@@H](S/C(=N/c2ccc(F)cc2)NCCc2ccccc2)C(=O)N1c1ccccc1 105617679 UZCSBIWMYCUHFQ-JOCHJYFZSA-N 447.535 4.711 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2Cc2cccs2)ccc1OCc1ccccc1 169913854 BESNEXUMLIIUKG-UCQKPKSFSA-N 436.562 4.689 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922888 VBUPNYQIOZYKGJ-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccs2)c1 169989208 DGAVDUAFJCWXMO-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1 169994924 ZAJJGTXUQDTPFU-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170028596 WUAJVQFWDYHERQ-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 170064155 IOFSDWOHNGCLEO-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)c1 170132986 ARFPKMURLGAWBB-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(C)c2)cc1 170143439 KWKURTXGQKWPFD-JTHBVZDNSA-N 435.520 4.541 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)c(C)c1 170173418 KNUJEAZJZCVZOA-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccccn1 170180897 SQWNTBTWGKYFRY-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1cccnc1 170187475 ZSQBTLBFAQCFGT-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)c1 170202927 KCFVOLXUYXCOPZ-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@H]3c3ccccc3)ccc2O1 170234415 MBAFNKWSYSXBDG-GYCJOSAFSA-N 443.474 4.928 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)o2)cc1C(C)C 170307870 BREOTOVYHNYSIW-QHCPKHFHSA-N 446.503 4.894 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)o2)c1 170310598 JTFOUBAEGCNYCK-HXUWFJFHSA-N 447.915 4.643 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(N3Cc4ccc(OC)c(OC)c4C3=O)cc2)cc1 206399854 FMYOMTWGAPODPH-NSIKDUERSA-N 429.472 4.769 30 10 IJEE O=C(O)c1ccccc1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 254396685 ZSQSAUTZPZCFQI-UHFFFAOYSA-N 425.452 4.503 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)c(C(C)(C)C)nn3-c3ccccc3)cc2C1=O 410034297 SOGVAPXKZZMMHB-UHFFFAOYSA-N 442.519 4.513 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCCCC[C@H]2C(=O)O)cc1OCC 426741890 NGFRBZXYAQVVJS-SJLPKXTDSA-N 440.378 4.926 30 10 IJEE N#C[C@H](C(=O)c1cccc(-c2cscn2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 442610031 NBFILGAQNVLCQZ-OAHLLOKOSA-N 432.530 4.889 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)CC1 443349610 YHISNVOPROTIKX-UHFFFAOYSA-N 446.482 4.551 30 10 IJEE N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(OCc4cscn4)c3)ccc21 469976866 YIEXAHMHZBRNEZ-UHFFFAOYSA-N 446.532 4.557 30 10 IJEE CSc1nc(O)c(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1C#N 470324884 QREXXBZCXIGFKK-UHFFFAOYSA-N 441.862 4.515 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCc3ccccc32)CC1 508939410 SJGYIMZGKIXLAM-UHFFFAOYSA-N 447.970 4.590 30 10 IJEE Cc1cc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)nn1-c1cccc(C#N)c1 512367709 TWFSVWXDXHXZMU-QFIPXVFZSA-N 442.416 4.782 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 518404236 SMXNUBFIAJMVEI-QGZVFWFLSA-N 445.926 4.714 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 526485269 DJEOBIWPDQIMPQ-QFIPXVFZSA-N 427.416 4.532 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)cc2)c1 526607428 QNLIDWDQCOGSRF-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)c(OC)c2)c1 526607541 XSKXGTLTHHHZSO-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc(Br)cc1/C=N\n1cnnc1SCc1cc(C)cc(C)c1 526808727 PLKJKJCCYZIWBI-YVNNLAQVSA-N 431.359 4.841 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@]2(CCCOC2)C1 558991116 JASKZIKFWCAJKO-OAQYLSRUSA-N 449.368 4.820 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(Oc2ccc(F)cc2)CC1 580101335 NQJFQMFKPNZLCY-UHFFFAOYSA-N 440.494 4.759 30 10 IJEE C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 581956391 LSITYJQCXLXZJB-IZVMNLJQSA-N 446.595 4.761 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1cccc(C#N)c1 586157119 DXJKLDKSHSMRJD-UHFFFAOYSA-N 444.915 4.750 30 10 IJEE C#CCN(C[C@@H](NCCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 689646803 SIHSELAFSWHWRL-OAHLLOKOSA-N 431.321 4.638 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 727953338 FODQDLOBFLVLMO-QHCPKHFHSA-N 445.563 4.579 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cnn2ccccc12 729662117 KENJYJHSOYUOER-QHCPKHFHSA-N 442.544 4.971 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1csc(-c2ccccc2)n1 731426778 FJRHODSGGRTXFP-IBGZPJMESA-N 425.966 4.983 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3c(Br)cccc3[nH]2)ccc1OC 733277574 MSLJORBXIQFPLE-CQSZACIVSA-N 442.313 4.550 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739589884 FEFJCGIHTQJMCX-CYBMUJFWSA-N 441.896 4.932 30 10 IJEE C=CC[C@]1(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 792546916 GVNNLMARNQDDLN-TYBLODHISA-N 446.563 4.850 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(F)cc1 812751138 LBPPJEGYIKWCPG-QGZVFWFLSA-N 441.256 4.538 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1 1083960280 CALWCBLVHCXIAI-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1125613383 ZOVKDOGHILTXPC-YLJYHZDGSA-N 430.545 4.784 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 1125826811 GIWMVOXUTKHFSG-UHFFFAOYSA-N 447.292 4.800 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccc(Br)cc1)c1ccc(NC(C)=O)cc1 1125879037 FCBZXHYVSNQVGR-RTWAWAEBSA-N 443.341 4.532 30 10 IJEE C=CCN(C(=O)c1ccc(Br)cc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1128110561 BPYUMVPLNOXOEE-FQEVSTJZSA-N 430.342 4.560 30 10 IJEE CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc(Cl)c1Cl 1128129549 BPNTXUXWJHZNLT-ZDUSSCGKSA-N 436.726 4.924 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1)c1ccc(Cl)cc1F 1129615916 JJVAARUWQLPIMA-MRXNPFEDSA-N 430.888 4.724 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C 1134916175 URILIURNLAZOJZ-OAHLLOKOSA-N 435.380 4.544 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 1135901583 OPKYQGDKSXRDHD-GXTWGEPZSA-N 442.894 4.645 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 1136341034 MRSWBVDLECUYSC-RTBURBONSA-N 449.389 4.713 30 10 IJEE CCCc1c(NCc2ccc(OC)c(Cn3cccn3)c2)cnn1-c1cccc(C#N)c1 1178518964 GLAVNJQGYASITK-UHFFFAOYSA-N 426.524 4.562 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(C)c(Cl)c1 1186396453 ZYNSGBOBTKBAAW-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE C#Cc1ccc(NC(=O)CCN2Cc3cc(Br)ccc3OC3(CCC3)C2)cc1 1197901040 GPZTZGOCIFGOSZ-UHFFFAOYSA-N 439.353 4.576 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3N3CCC[C@H]3C2)cc1 1199058897 LGPJTNQDKRZVAH-QHCPKHFHSA-N 430.552 4.517 30 10 IJEE CC(C)(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1213387837 GDVBYOKCGIGADQ-MRXNPFEDSA-N 433.371 4.734 30 10 IJEE C#CCOc1ccc(CNC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)cc1 1228784775 XICHDIXSJRPXTJ-IBGZPJMESA-N 445.382 4.840 30 10 IJEE C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1271244392 BGLHKTDKRLCSCM-LJQANCHMSA-N 429.495 4.627 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)Cc1ccn(-c2ccc(F)cc2)n1 1272482991 ATOUAAHTUNHBMT-UHFFFAOYSA-N 427.435 4.961 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CC1CCC1 1286564421 VECNBMPZUYYUAT-GXRSIYKFSA-N 430.637 4.804 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1286664967 NFCLAKWKIRCSTM-GOTSBHOMSA-N 435.660 4.834 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286686436 HNGMWYAUYBCXPF-LEWJYISDSA-N 432.515 4.732 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](CCOC)C1 1286693222 WEZOYRORGYPBCP-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CC[C@H](C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1289423949 BYIJYKIQEHXSQJ-IHRRRGAJSA-N 427.335 4.976 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 1295408969 PTUAHCMYBBSLAF-UYAOXDASSA-N 440.588 4.827 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn2ccsc2n1 1300905817 WLCMVVXBEUNJHR-UHFFFAOYSA-N 444.511 4.706 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(C(C)C)CC1 1300937370 UMMYDZUXMFIODC-UHFFFAOYSA-N 432.410 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2csc([C@H](C)OC)n2)CC1 1301111936 KHLNOPYZHLQPQO-INIZCTEOSA-N 439.585 4.568 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1301187073 PDUGOXOTBORKQD-NRFANRHFSA-N 425.577 4.627 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2OC)C1 1301189806 GJEUUIJNAWXLRA-IBGZPJMESA-N 437.613 4.993 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H](C)c1c(C)noc1C 1301351253 NUHHYBDZGSIUNO-JXFKEZNVSA-N 439.535 4.522 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1Cc1cc(Br)cs1 1301958666 FFLCBEHLJPJMLV-LBPRGKRZSA-N 434.338 4.552 30 10 IJEE CCOc1c(Cl)cc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1OC 1310640877 DAFIVQJMXILZFJ-UHFFFAOYSA-N 443.809 4.839 30 10 IJEE C#CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C1CCCCC1 1312987589 HPZYLUNLFBHHGI-DHIUTWEWSA-N 439.600 4.757 30 10 IJEE O=C(O)c1cccc(COc2cccc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)c2)c1 1322627518 KFNBGOAVHOBBNQ-CLFYSBASSA-N 443.377 4.979 30 10 IJEE CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H](C)c1ccccc1OC 1353022213 HMWKXYRMRCTZLY-WMZOPIPTSA-N 439.943 4.573 30 10 IJEE C=CCn1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)nn1 1353708757 VTVLIAAZZJIHHI-KRWDZBQOSA-N 440.334 4.814 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1355276363 NOHUMCLERDNQJW-QHCPKHFHSA-N 435.515 4.849 30 10 IJEE C#CCC1(C(=O)Nc2cc(Br)ccc2I)CCCCC1 1357292781 RKSHPOXWELNBGA-UHFFFAOYSA-N 446.126 4.966 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(C)C[C@H](C)CCC 1359087439 GAZKMYUXXAVXFA-CQSZACIVSA-N 425.346 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCOC1 1359095195 LISXPAZRRCMYNQ-LZJOCLMNSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H]1CCc2ccccc21 1359107615 QNLLRVOUQMMICZ-BKMJKUGQSA-N 438.616 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1c(CC)nn(C)c1CC 1359109802 OZTFYMRUTGJSKM-UHFFFAOYSA-N 443.599 4.802 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCN(CCC)C(=O)C1 1359118241 XFSDSWVQEONERP-UHFFFAOYSA-N 444.004 4.838 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1359153984 ZQDXYJKHQQETTP-UHFFFAOYSA-N 443.020 4.623 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359166347 PGDBLSQPMVINIS-SZPZYZBQSA-N 439.623 4.923 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1359178483 SRNWDNBICKFPRP-LJQANCHMSA-N 436.478 4.711 30 10 IJEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1359224780 CKCXBYZCLRCNMH-UHFFFAOYSA-N 437.441 4.660 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCCCC2)C1 1359229633 PDUWAFHIFKIBRK-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccnc(C(F)(F)F)c1 1359233513 HVGCIXATTIRBOQ-UHFFFAOYSA-N 439.388 4.631 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1359286121 WERYSJPKPHDBHJ-CQSZACIVSA-N 436.869 4.841 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@@](C)(O)CCC(C)C)C1 1359315111 OFONOTCOQQTYPE-CPJSRVTESA-N 438.572 4.660 30 10 IJEE C#CCN(C(=O)COC[C@@H](C)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1360556824 DWORYNSERLXAOQ-DYESRHJHSA-N 442.353 4.555 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(Oc3ccccc3)nc2)CCCN1C(=O)OC(C)(C)C 1434948516 DSMHNGSHUSFLLQ-RUZDIDTESA-N 437.540 4.836 30 10 IJEE CC[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(C)c(F)c1 1435700145 IBAWWKCSMYKJCI-LJQANCHMSA-N 436.487 4.738 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc(OC)c1OC 1436113243 XRQPDAQNTRSTMZ-KRWDZBQOSA-N 435.351 4.748 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc2n1 1439615654 PHWWGTJQBADCFC-UHFFFAOYSA-N 427.464 4.995 30 10 IJEE C=CCN(Cc1cc(Br)ccc1OC)[C@@H](Cc1ccccc1)C(=O)OCC 1459956169 WZIDGZRMHQHGJW-FQEVSTJZSA-N 432.358 4.620 30 10 IJEE CCn1ncc(Br)c1C(=O)OCc1ccccc1Oc1ccccc1C#N 1460035911 GAHZEFUBFKGKDN-UHFFFAOYSA-N 426.270 4.686 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)c1 1464787292 IRPUIABMTQHIAI-QIJUGHKUSA-N 444.572 4.775 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c(Cl)c1 1467402554 AUGSAHPIVYHPFX-HNNXBMFYSA-N 426.854 4.600 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)cc1OC 1468457610 SNNDCWDOSBXVOK-CKDFRHGISA-N 426.944 4.664 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCC(=O)c1cc(Br)ccc1OC 1468936164 NKJUBYVNTZTGEI-GOSISDBHSA-N 430.342 4.724 30 10 IJEE C=CCN1CC[C@H](Sc2nc3ccccc3c(=O)n2-c2ccc([C@H](C)CC)cc2)C1=O 1472945873 OMIQFUNQJXCQJB-VGSWGCGISA-N 433.577 4.778 30 10 IJEE CC(C)(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccc(F)cc1F 1475099352 AKWJVXPBBCSGMX-QGZVFWFLSA-N 432.414 4.921 30 10 IJEE C#CCC1(NC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)CCCCC1 1476149423 CFTBNOKAHACMJW-UHFFFAOYSA-N 446.519 4.786 30 10 IJEE C=CCc1cc(CNC(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)cc(OC)c1OC 1477657955 NAGLPSVZIIHIJR-UHFFFAOYSA-N 445.922 4.748 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1)c1ccc(F)c(F)c1 1478471934 ICUSZNNUWMFILD-UPVQGACJSA-N 426.463 4.792 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](CCC)C1 1507578801 BMTVSSNDYXDSOV-QHCPKHFHSA-N 431.584 4.771 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1C[C@@H](C)C[C@H](C)C1 1507609170 PRRBQASNXYHWBK-IRXDYDNUSA-N 434.415 4.689 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C(F)(F)F)cs1 1507682757 VKMNBZUZQRLEDT-UHFFFAOYSA-N 443.857 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1c(CC)noc1C 1507811537 BBLCKFQIYUSUMP-QGZVFWFLSA-N 427.524 4.867 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507824813 IXOZUKXEGDRQSJ-PZJWPPBQSA-N 439.604 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507912765 UOSRRUIOGAGQRH-PMACEKPBSA-N 447.631 4.856 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]2CCC[C@@H]21 1507920300 UNCMVVAWDLHJRR-MSOLQXFVSA-N 427.618 4.641 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 1507928833 MGJQDSBGLZWROE-HMXCVIKNSA-N 439.604 4.550 30 10 IJEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCC(c2ccsc2)CC1 1507959663 GLMXNZVPXNVUSC-UHFFFAOYSA-N 438.597 4.992 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCSC[C@H]1C 1507960117 WEAXQDONAHTRFR-QGZVFWFLSA-N 432.659 4.810 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](OC)[C@@H](C)CC 1507972011 FCMDTFMSIJIZDE-SUMWQHHRSA-N 425.346 4.530 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC=CO1)C1CC1 1507988244 KWCUHFDGSGYVAU-KRWDZBQOSA-N 445.361 4.564 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC(F)(F)F)C1CC1 1507989774 FSAVLNDUXBUGDM-UHFFFAOYSA-N 430.858 4.688 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C)c1c(C)noc1C 1508026885 XFJBLULRPMELCP-IBGZPJMESA-N 444.583 4.927 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC(C)C)C1 1508119464 ZVTNPDXUIRMFFN-QGZVFWFLSA-N 439.387 4.848 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2F)c(C(=O)OCC)c1C 1524510430 XICCIRWSHFNPBW-UHFFFAOYSA-N 425.865 4.621 30 10 IJEE C=C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 1524758802 GCRKZBPZILDUME-KRWDZBQOSA-N 440.519 4.872 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)cc1 1526772963 APSPBBQGCLRNIO-UHFFFAOYSA-N 432.442 4.971 30 10 IJEE CC(C)Cc1cccc([C@H](C)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 1529591993 IFXNMSDQPZXVAM-FQEVSTJZSA-N 426.564 4.757 30 10 IJEE C=C[C@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1530555931 KGTGPAAQVPHCGT-AUSIDOKSSA-N 426.988 4.968 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 1533669871 FEHSZPUYAZKNFM-HXUWFJFHSA-N 447.947 4.898 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 1535021330 IFULZQWDTGLQEK-QGZVFWFLSA-N 431.879 4.996 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)c1 1535543697 AUSPTBGCYBMMJL-QGZVFWFLSA-N 426.885 4.959 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1538057696 CQJWRVPPFQBSIO-QFIPXVFZSA-N 443.934 4.794 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@@](C)(CC)O1 1539250930 VHXQNIRHXSBJLJ-VGOFRKELSA-N 431.367 4.672 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCCCC1 1539382379 FXEVXMUTKYKFQH-UHFFFAOYSA-N 425.646 4.603 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1539504524 JADAJONOLQBDHT-NHCUHLMSSA-N 426.630 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCC[C@H](C)C1 1539652313 PZNJJUMQDXEJNR-FQEVSTJZSA-N 432.616 4.936 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c(OC)c1 1539729320 FINWRXXZTACSIA-UHFFFAOYSA-N 427.497 4.779 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1539735855 VDRDJEAKNOOICF-OAQYLSRUSA-N 442.947 4.671 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1539780869 WUDHYFJWPHWHQM-KRWDZBQOSA-N 429.977 4.855 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOc2ccc(Cl)cn2)CC1 1539846888 YJOGKXRGAHWYGL-UHFFFAOYSA-N 444.366 4.806 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2Cc2sc(C)nc2C)CC1 1539895892 CUSLCCIOXFQENK-UHFFFAOYSA-N 427.549 4.520 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2ccccc2OC)nnc1[C@]1(OC(C)C)CCOC1 1540022033 ZKWPWQRCLYZRBR-BWKNWUBXSA-N 440.588 4.635 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN(CC(C)C)C1 1540178099 XGYUTVQMLXYCEC-DNVJHFABSA-N 443.680 4.743 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)c(OC)c1 1540189237 MIXQYOIXKZFVFQ-HXUWFJFHSA-N 442.947 4.668 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1540889606 QCICOWMPJJSOGN-MOPGFXCFSA-N 431.531 4.645 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2cccc(F)c2F)CC1 1543679341 UPHKPZJZWRRCKV-UHFFFAOYSA-N 426.385 4.511 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2c(F)cccc2I)C(F)(F)F)cc1 1544661645 SAYMUSMCPLLBNU-OAHLLOKOSA-N 448.153 4.872 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CC[C@@H](Cc4ccc(F)cc4)C3)c2C#N)C1 1559546662 BQDWMZBQHHPQFW-AEFFLSMTSA-N 425.573 4.777 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(c3c(Cl)cccc3Cl)CC2)c1 1559875794 GTGYTZZAVGXDBP-UHFFFAOYSA-N 430.335 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl 1564675104 KQEHTENIFAQQSY-BVGQSLNGSA-N 427.770 4.930 30 10 IJEE C=CCn1c(SCC(=O)N2CCC=C(F)C2)nnc1-c1ccc(Cl)cc1Cl 1566918960 FJKXAPMOVAMKJA-UHFFFAOYSA-N 427.332 4.616 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnn(-c3ccccc3Cl)c2CC)c(OC)c1 1586654190 IVUDAQFRTMOMJQ-UHFFFAOYSA-N 425.916 4.843 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C1CCC1 1587856776 RHOJTIXTLWUEPX-LEWJYISDSA-N 441.620 4.575 30 10 IJEE C=C[C@@H](CC)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1588118377 DNSBXCMWKOGZEX-SEJMYLSOSA-N 427.353 4.748 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2C#N)[C@H](C)C1 1588270544 GFIDOMZTQZRYFN-ZIAGYGMSSA-N 445.610 4.635 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1Cc2cccc(Br)c2C1 1589059350 DVTFVFVKBOWCQP-UHFFFAOYSA-N 431.403 4.585 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1589088684 FMOMDXBECWRPEJ-OAQYLSRUSA-N 437.638 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1589250884 DFDRORUABKUCFC-QFZRFWILSA-N 438.641 4.932 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(CC)Cc1ccc(Cl)s1 1589461101 YSHQSPOLWJULNZ-CYBMUJFWSA-N 431.787 4.780 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1589483603 PEBIIGXXYIXCPQ-PZJWPPBQSA-N 427.549 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1589608680 LRPJZEKUEWQLGZ-WVMBUTMQSA-N 446.542 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCCC1 1589663704 PBTAYBCIXFOIML-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCN(CC)CC)CC1 1594064550 QCVWOQGMCAZAOJ-UHFFFAOYSA-N 439.648 4.757 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1594455788 VXGVSOCBFQUVBW-LJQANCHMSA-N 447.583 4.793 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@H]1C 1594830644 ZUTNEXQSBUONHC-UEVCKROQSA-N 438.616 4.913 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCC(C)C)C1 1595689856 XUALFICLSYNSAA-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCC 1595879456 WJSDBUBFHACSDX-SFHVURJKSA-N 437.654 4.548 30 10 IJEE C=CCOc1cccnc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1611077338 GAGOGHFRWSHZQJ-VWLOTQADSA-N 447.966 4.847 30 10 IJEE C=CCn1c(S[C@H](Cc2ccccc2F)C(C)=O)nc2sc3c(c2c1=O)CCCC3 1613284402 YQTXFGXGVVWAQA-LJQANCHMSA-N 442.581 4.954 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c(Cl)c1 1616350595 ZCVWCWNIGCYPIU-OAQYLSRUSA-N 437.927 4.877 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1ccc(I)cc1)[C@@H]1CCCc2ccccc21 1617567197 UJBSCAYFBUFOHH-HRAATJIYSA-N 443.328 4.934 30 10 IJEE C=CCn1c(SCC(=O)NCCCc2ccsc2)nnc1-c1ccc(Cl)cc1 1617650808 OGXJJCYBJCSHBK-UHFFFAOYSA-N 433.002 4.687 30 10 IJEE C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2ccc(Br)cc2C#N)C1 1617790876 CGKLDLRFZVKCSW-UZLBHIALSA-N 434.378 4.544 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 1622127011 UIWUCYVTRAUJRT-YADHBBJMSA-N 447.000 4.651 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 1632926280 YBYVNEPFOANOBF-OAHLLOKOSA-N 439.343 4.809 30 10 IJEE C=CCCC(C)(C)CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 1635195542 UQXVDOJVHLCQQB-UHFFFAOYSA-N 433.346 4.946 30 10 IJEE CCCN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCc2ccccc2C1 1636586058 GTHIZDREOIAAEP-SANMLTNESA-N 430.596 4.502 30 10 IJEE C=CCC1(CNC(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)CCCC1 1640592151 CUPKFQXGEHCVPB-AWEZNQCLSA-N 439.341 4.956 30 10 IJEE C=CCn1c(SCC(=O)NCCOc2cccc(C(F)(F)F)c2)nc2ccccc21 1640609481 CWCPSXJYMNXIRE-UHFFFAOYSA-N 435.471 4.528 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1Br 1641214374 DCWXTRKNUADIDB-JTQLQIEISA-N 447.280 4.555 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)c1ccccc1 1641665939 NPGTUCVLGVXZNY-LEWJYISDSA-N 436.518 4.776 30 10 IJEE Cc1cc(Oc2ccc(CN(C)C(=O)CNc3ccc(C#N)cn3)c(Cl)c2)ccc1F 1643722942 AUHLCBBEWOIBBN-UHFFFAOYSA-N 438.890 4.917 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC([C@@H]4CCOC4)CC3)c2C#N)C1 1645010333 BTDYPCSZKNDZOC-RTBURBONSA-N 443.657 4.848 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(Cc2cc(F)ccc2F)CC1 1646146124 FNAAZQLEKZAFTP-AWEZNQCLSA-N 429.536 4.668 30 10 IJEE C=CCn1c(SCC(=O)Cc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652348768 BCOYIGGHNICDTD-OAHLLOKOSA-N 449.601 4.544 30 10 IJEE COc1ccc2c(c1)OC(C)(C)CN([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 1653927352 GYXAZALDXCBPIW-FQEVSTJZSA-N 435.568 4.620 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1662378339 KLIRCJBPKCXRTO-INIZCTEOSA-N 444.431 4.608 30 10 IJEE Cc1cccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C#N 1666731934 GJUYZLUPKSYFBJ-PLMTUMEDSA-N 440.565 4.611 30 10 IJEE CC[C@@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)c1ccc(OC)c(OC)c1 1669169488 FPSZJHPVQHDDSI-QGZVFWFLSA-N 430.551 4.528 30 10 IJEE Cc1csc(NC(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)c1C#N 1669739817 FORBZGBIVCUKJO-YOEHRIQHSA-N 434.359 4.668 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCc3ccc(-c4cccs4)cc3)CC2)c1 1674055190 HXAYABFSMYVBJR-UHFFFAOYSA-N 430.577 4.751 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OCCC)c(OC)c1)c1ccc(Br)cc1 1676177657 QBWBWOYZECWREJ-DNVCBOLYSA-N 445.357 4.981 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCCC1 1679423565 YPUYGASGRZIHBG-IRLDBZIGSA-N 433.955 4.507 30 10 IJEE C=CCSCCNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 1681292924 YNLSHTBXGVLQGE-FQEVSTJZSA-N 438.515 4.870 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C 1681941499 ASKNBSNXOHBUFT-RBBKRZOGSA-N 441.616 4.995 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 1686332708 NBJXYGKRCZBATC-IBGZPJMESA-N 429.351 4.842 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](OCC2CC2)C1 1689913455 OKSKMLNNFHWEAK-JTHBVZDNSA-N 436.600 4.844 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1Cc1cc(Br)cs1 1690011539 TXHWBTKZKYCLET-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCCN1CCC(C)CC1 1690035985 QSQIVCTZEAXZJZ-UHFFFAOYSA-N 438.019 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](OC)C(C)(C)C 1690202796 FRNUGYCQWFIQRJ-PXDATVDWSA-N 433.556 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCCC1 1690214694 SHZCVZJHJCFLEN-YADARESESA-N 427.593 4.532 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(N2CCCC2=O)CC1)c1ccccc1 1690442253 PGMBKJJVAFHVHR-RBBKRZOGSA-N 435.616 4.743 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)C(C)(C)C1 1690500336 RPOMWDHRNWLPDV-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1OCC 1690563503 UCLOBQJGFNGXIO-UHFFFAOYSA-N 440.551 4.683 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC(F)(F)Br 1690567887 SVUSELASLNYBEO-UHFFFAOYSA-N 431.300 4.895 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)c2ncc(C)s2)c1 1692961880 AMYDUBNPTATKCV-ZWKOTPCHSA-N 438.601 4.781 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnc(C)s1 1705511256 NEUKTBLDDGAHSX-UHFFFAOYSA-N 431.512 4.751 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cnc(C)s1 1705654169 ZFDGGPKTQIOMQG-HXUWFJFHSA-N 425.627 4.588 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1705654633 OHNCSDQBFWZCRF-QFBILLFUSA-N 445.430 4.843 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(OC)C1 1705680707 FQEUUTVAJQQNJV-RXVVDRJESA-N 433.394 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H](C)N1CCCCC1 1705712933 MNWYOQJWUUIYIN-LJQANCHMSA-N 426.565 4.520 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCC[C@H](C)C1 1705867460 ODMYWAHEMVCFCJ-PZJWPPBQSA-N 443.661 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@@H]1OCCC1(C)C 1705880047 SIIDEOWWZDLUKO-FQEVSTJZSA-N 426.586 4.574 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC[C@H](C)C2)C1 1705921379 QYFHQMAPRBPSOT-JENIJYKNSA-N 430.980 4.825 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1706743790 FLZIIDOMGNPGKT-MUQADHOPSA-N 428.378 4.882 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)C[C@@H]1CCCO1 1722340570 ZIGOTEUZEOLQGR-KRWDZBQOSA-N 437.371 4.583 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccccc1OC 1722341467 YOZCWZIEQMWZFI-MQSCRBSSSA-N 436.600 4.960 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722406358 XMZDJOBIWYRBGL-UHFFFAOYSA-N 449.555 4.550 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1CCC 1722406705 IRTKIBKIMZXLIL-PZJWPPBQSA-N 444.023 4.796 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N(CC)CC 1722493589 JZZYZEDXVDUBLC-DNVCBOLYSA-N 449.393 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C[C@@H](C)CC 1722505277 AZHDMXCZNGJVLH-YDLSIGKMSA-N 440.588 4.644 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722519987 PRGAOXODJLYNEC-JOCHJYFZSA-N 445.615 4.636 30 10 IJEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCSCC(C)C)CC1 1722566791 ZDRSRTSGFOCDAO-NRFANRHFSA-N 428.602 4.726 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722579791 TWYZLBJXVIGUBB-DHLKQENFSA-N 436.600 4.858 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722581590 DXOOVBDMDHUUJX-GGAORHGYSA-N 449.643 4.917 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722582043 GYYAMWOGQFBWNC-GUGJDKNPSA-N 442.579 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(Br)C1 1722586914 DMMNLUGQFCTVAH-UHFFFAOYSA-N 445.361 4.765 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722589767 WWNWQDDYYROBOP-LJQANCHMSA-N 431.625 4.526 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1722594288 IYUPUFDIJGLPPT-QZNHQXDQSA-N 432.616 4.562 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC[C@H](n2cc(C)cn2)C1)c1ccccc1 1722597081 QDNXSHKKRAHHGT-PKTZIBPZSA-N 434.588 4.521 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC2CCOCC2)CC1 1722597992 WBXFTDPLXAOFBF-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C[C@@H]1C[C@@H](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CCO1 1726469848 HXPYQKACDZJKAP-FVTFTPSCSA-N 443.636 4.532 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2nccs2)CCCC1 1730642349 BZXREEXUWSHLFH-UHFFFAOYSA-N 436.585 4.507 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1740783037 GXXDGTWPQGNOMD-IBGZPJMESA-N 444.352 4.750 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740799205 HWJIEHXCSIPMDL-FNAHDJPLSA-N 430.637 4.806 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1740807408 ZJSAHVVBWZJZJQ-ROUUACIJSA-N 430.980 4.977 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1740823540 DHTOLTRKXGRTCD-JOCHJYFZSA-N 435.616 4.625 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1740837766 UMHNDKLCOYUBRQ-UHFFFAOYSA-N 445.489 4.803 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1740853894 JMRMTNHBIBKAHJ-JOCHJYFZSA-N 428.540 4.941 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1740861241 GRRKZCDRDOGVCA-JOCHJYFZSA-N 430.600 4.797 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740870098 JIPPYUFVPGYAIH-GOSISDBHSA-N 432.515 4.644 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740889263 YKUZELASOSOULS-DXBBTUNJSA-N 430.637 4.806 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](c1ccsc1)N(C)C 1740893035 VERBFBLYVGNGOF-GOSISDBHSA-N 446.418 4.694 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCC(=O)NC1CCCCC1 1740917956 CSKZHGXFJIQVNN-UHFFFAOYSA-N 447.583 4.878 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740945218 PGTWSNAIGSYSMS-JOCHJYFZSA-N 433.556 4.609 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccco2)C1 1740984789 KAJVKMFJWGWRPD-OAQYLSRUSA-N 436.556 4.712 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1741515959 BIJXBHCTDAYICU-OZXSUGGESA-N 446.599 4.788 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2F)n1CC1(N(C)C)CCC1 1741516009 DFXOAWPOCDXMOK-UHFFFAOYSA-N 447.002 4.988 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CCCCC2)CC1 1743186649 GNDWBCXGZLCBSJ-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1748701311 GLGJYXBMRPJAHD-WDSOQIARSA-N 444.421 4.865 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cscc1C 1748867527 INHVIPKVBBPPSG-NRFANRHFSA-N 432.593 4.916 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)COC 1748905262 AWMPRRHEHVSRNV-GOSISDBHSA-N 432.996 4.820 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](CC(C)C)C1 1749029288 QJUJHDFXCVFNRM-QGZVFWFLSA-N 447.446 4.946 30 10 IJEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1cccc(C)c1 1749085674 CQAHNYKCRRLQRL-PKOBYXMFSA-N 449.393 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)cc1 1749119534 UAHBNVUCOCULPU-PKOBYXMFSA-N 433.394 4.782 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccccc1F 1749131737 VCWCWPPFZKEHSN-BVSLBCMMSA-N 428.552 4.667 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(CC)C1CCCC1 1749139649 HYSZCENQKJHCHT-JPYJTQIMSA-N 428.552 4.746 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(C#N)o2)CC1 1749288006 JWBWOISELMLJGF-UHFFFAOYSA-N 442.292 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1749371174 ZJAGDNATFBCFFU-SSEXGKCCSA-N 442.654 4.907 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccn2C)n1Cc1cccc(Br)n1 1749384276 XYCYUFGBOGVVDZ-UHFFFAOYSA-N 443.393 4.672 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1749448762 BMYVJAPFEDCYHD-HXUWFJFHSA-N 446.910 4.501 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cccnc1OC)C1CC1 1749508188 KTCRKMGZCGBVMO-IBGZPJMESA-N 433.556 4.642 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCc2ccccc2C1 1749565887 SGTXQMOBYRGVPW-IBGZPJMESA-N 449.002 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn2ccc(C)cc2n1 1749582145 BSVNSVWYSMXBFQ-UHFFFAOYSA-N 448.958 4.693 30 10 IJEE CC(C)CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1)C1CC1 1750790607 AQAMVESGTYHVRR-UHFFFAOYSA-N 437.588 4.560 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(N(C)C)CCCCC2)c2ccccc2n1 1751415170 HYHOYKJBEKGFNO-FQEVSTJZSA-N 445.615 4.805 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1ccc(Cl)s1 1760122408 KXVSFSRWQRJCFX-QGZVFWFLSA-N 428.989 4.889 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCS1 1760123412 FONTZZGFGHLOFD-HIFRSBDPSA-N 425.385 4.517 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)C(F)(F)F 1760207634 QGWFXCSDOBGCMA-UHFFFAOYSA-N 446.517 4.816 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)CCC(C)C 1760291310 JXQCNROACUKRAG-DNQXCXABSA-N 445.007 4.786 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CC[C@H]1C2 1760300126 AEVDUQWUOAQFTC-BZSNNMDCSA-N 431.378 4.932 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)N1CCCC1 1760339414 HPGBPISJJMOUPR-FQEVSTJZSA-N 425.602 4.763 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccs1)c1ccccc1 1760364061 FDTFSSWZWBYFHE-UHFFFAOYSA-N 449.605 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760399063 XPCLQIQDVISAQC-MRXNPFEDSA-N 445.995 4.914 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCOC1)c1ccccc1 1760417884 JVQYEXCOEJMVOK-NQIIRXRSSA-N 437.975 4.826 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(=C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1760420186 KQLBZUAQMJEWSQ-ZEQKJWHPSA-N 436.600 4.835 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760422412 HBMZCQKNOCEDHM-MBSDFSHPSA-N 430.980 4.729 30 10 IJEE C=CCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1760435979 CTCIIGGSQBYYMS-SFHVURJKSA-N 447.356 4.554 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1scnc1C 1760458320 DTSMPDNOLXTSQA-UHFFFAOYSA-N 435.553 4.747 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@@H]1CC 1760462633 FNQXRJGQLSKUOS-ICSRJNTNSA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H]1CC 1760482037 QBVSPUDNMYWEKW-FGZHOGPDSA-N 444.583 4.944 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CCN1CCCC(C)(C)C1 1760498813 FSUQERBATDLITC-UHFFFAOYSA-N 444.627 4.697 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccco3)C2)cc1 1760529664 JIDDCYPLUPTBOL-JOCHJYFZSA-N 436.556 4.651 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1760562111 XLBHMZMQMTXLRD-UHFFFAOYSA-N 436.629 4.544 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760563594 WPILMEAMNJKZLF-XLIONFOSSA-N 448.423 4.756 30 10 IJEE C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 1763207038 BBTBXCGWQGUHIP-OXQOHEQNSA-N 447.505 4.658 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)C1 1766479864 AOPPATJWXFXOCK-QUCCMNQESA-N 435.597 4.620 30 10 IJEE NC(=S)N/N=C\c1cn(-c2ccc(Oc3ccccc3)cc2)nc1-c1cc(F)ccc1F 1857806528 CFHWBFCIOGLJFX-WKIKZPBSSA-N 449.486 4.777 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)c1C#N 1860656676 UMHXVTYIHQXNNC-YRYLYKBFSA-N 439.556 4.947 30 10 IJEE CCc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(C#N)cc3)c2)nn1Cc1ccccc1 1860885637 GKXUYQSNSVBGTL-UHFFFAOYSA-N 449.514 4.870 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)CCCOc1ccc(C)cc1 1861688955 ARXTUTJUSRNFJR-QFIPXVFZSA-N 436.662 4.869 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 1862655701 NNXIZSIYSYXEGO-QHCPKHFHSA-N 429.472 4.621 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(C)c2)c1 1862737003 QYHTWWFQHRLEEU-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2cccc3c2CCCC3)C1=O 1863118422 HPPCBRJXIJSDFU-UHFFFAOYSA-N 425.513 4.895 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCc3cccs3)C2=O)cc1 1863173023 AIVNISQHODRLGW-UHFFFAOYSA-N 433.920 4.708 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(Br)c2)=C(c2cccc3ccccc23)C1=O 1863217539 KTGJKAQAQVIIEY-UHFFFAOYSA-N 433.305 4.980 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2C)=C(c2ccc(F)cc2F)C1=O 1863322096 UFRCSVMUCVMDSU-UHFFFAOYSA-N 447.279 4.722 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(CCc3ccccc3)C2=O)c1 1863446609 FPMRKNCQSLCSQQ-UHFFFAOYSA-N 427.891 4.646 30 10 IJEE COc1cc(Cl)c(C)c2c(=O)c(C(=O)Nc3sc4c(c3C#N)CCCC4)c[nH]c12 1866470047 MZDZJTDACMKSKF-UHFFFAOYSA-N 427.913 4.563 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cccc3ccccc23)n(-c2ccc(OC)cc2)n1 1870001617 LWQCXECBUXZIKG-UHFFFAOYSA-N 439.519 4.860 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CN(C)C 1870749237 PFDQWHRUZCWSOQ-UHFFFAOYSA-N 441.616 4.850 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871015311 ATCCOKSOMKPHHH-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE Cc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccc3c(c2)OCO3)C4=O)cc1 1871347921 FEYIHAZQHPTUNW-MXAYSNPKSA-N 441.483 4.735 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(C[C@H]1COc3ccccc3O1)CO2 1871353218 NKVDDLHEWRZHND-HNJRTNGCSA-N 447.512 4.665 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872088575 WJSFQRDQGZZJDC-WAIKUNEKSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 1872247451 HXRKBTJOLSMXQU-QFIPXVFZSA-N 446.638 4.631 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872460692 LHSXRJCYDPKAKY-NRFANRHFSA-N 434.989 4.859 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(OCC)cc1 1872470768 LNBGDBQKDCEWQK-HSZRJFAPSA-N 444.597 4.632 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872778971 YLSRSRVYOYOVSO-GOSISDBHSA-N 436.533 4.872 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)cc2C)cc2c(N(CC)CC)ncnc21 1873670570 DYXNZHCYSQEAEX-UHFFFAOYSA-N 442.361 4.787 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874235819 BJWNUDCERCHOSU-WGOQTCKBSA-N 445.548 4.825 30 10 IJEE CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874306763 NZUAVGHWFQIRQB-LPYMAVHISA-N 445.932 4.628 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874354955 KLUYQNFZQMMBDN-WSDLNYQXSA-N 443.916 4.717 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCC)c(OC)c1 1874375625 FUQCYMCKNODOSR-AFUMVMLFSA-N 440.544 4.966 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874385805 JKNFPNHBTKCHMD-CIAFOILYSA-N 431.905 4.803 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2cccn2C)cc1 1874387713 BEJHMUSRQIWEGP-BUVRLJJBSA-N 446.536 4.599 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874419558 SZTYSDJIICILPL-ZMOGYAJESA-N 442.972 4.696 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2C)o1 1874481784 NOLSGJMGDBPACS-YDZHTSKRSA-N 426.542 4.828 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1C(C)C 1874512334 RYAPTVCXMHTOLT-MFKUBSTISA-N 449.580 4.888 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cccc(Cl)c1 1874512441 YBODKMLWRPSOBN-FSJBWODESA-N 427.961 4.976 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OC)nnc2C(C)C)cc1OCC 1874514000 BBZFEGOVJBRJNR-OEAKJJBVSA-N 448.589 4.517 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1ccc(C(F)(F)F)cc1)Nc1ccccc1 1874516564 DXGSFNOFMWVDFL-BRJLIKDPSA-N 445.470 4.787 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OCCCO 1874608959 PUMPIACWBRPLGI-IZZDOVSWSA-N 431.326 4.844 30 10 IJEE COC(=O)COc1c(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1874634949 BDNSGKHNNJCRMJ-VOTSOKGWSA-N 447.325 4.831 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)c1 1875101491 CXPMIELICLTNBM-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1F 1875152540 UANPKOHGPIYDAS-ZZXKWVIFSA-N 436.395 4.561 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4ccccc4C)on3)cc21 1890905443 KGLURYALZQIVEJ-UHFFFAOYSA-N 431.492 4.840 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N(Cc2ccsc2)C2CC2)CC1 1891258949 ZERCSRFAYAVZNW-UHFFFAOYSA-N 438.578 4.744 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 1922046209 GOPVLXYFHXAHKN-JCYRPKCISA-N 446.632 4.668 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)c1ccc(Br)cc1F 1922075248 VFHZNMPNHOQVAA-FCHUYYIVSA-N 436.365 4.937 30 10 IJEE C=CCC1(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924550273 CQRYXJIULAGGIQ-LJQANCHMSA-N 437.625 4.711 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cccc1Br 1938364661 HQKZXGSACHPOHQ-ZDUSSCGKSA-N 448.155 4.660 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(c3cc(Br)c(C#N)cc3F)CC[C@@H]21 1965590652 QOCQHHOYERNXHG-DYVFJYSZSA-N 438.341 4.686 30 10 IJEE CC[C@@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ncnc(Cl)c1C#N 1986482351 MAQBDSUYKCLBCK-QFIPXVFZSA-N 430.936 4.986 30 10 IJEE N#Cc1cc(Br)cc(N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c1 1998964441 SOUISQCXKODDCL-INIZCTEOSA-N 442.235 4.590 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 2007710577 VSCYHUDQMPAJPS-IPJJNNNSSA-N 442.522 4.783 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(Cl)cc1 2033814162 MPBMOLKKVNSAFJ-LJQANCHMSA-N 441.892 4.591 30 10 IJEE O=C1C(=Cc2ccc3c(c2)CCO3)CC(O)(C(F)(F)F)CC1=Cc1ccc2c(c1)CCO2 2042437341 AOVPDGLGIALNRM-UHFFFAOYSA-N 442.433 4.680 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1F 2079013963 TWBUMJWFRVFESI-CQSZACIVSA-N 433.215 4.990 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]1(C)COCCN1C(=O)OC(C)(C)C 2081189077 XVVDDPMKHLEXFB-NTKDMRAZSA-N 445.560 4.655 30 10 IJEE N#Cc1c(C2CCC2)nn2c(N)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc12 2081424588 HERSGOOXIHRVGI-UHFFFAOYSA-N 436.235 4.899 30 10 IJEE C=CCOCCN(C)[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2134732450 UUGLVSAZQNBSNT-SANMLTNESA-N 446.591 4.979 30 10 IJEE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cnc1C#N 2174712548 QXMLCFNTQZMHKU-INIZCTEOSA-N 437.382 4.722 30 10 IJEE CC(C)[C@@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCN(C(=O)OC(C)(C)C)C1 2181133157 PBWNVMQSAQMXCL-HXUWFJFHSA-N 436.350 4.542 30 10 IJEE CC1(C)CN(Cc2ccccc2)[C@@H](CNc2ccc(C#N)c(Br)c2F)CO1 2194648739 JRVMKCUCHMUXFS-KRWDZBQOSA-N 432.337 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Oc2cc(Br)cnc2C#N)C1 2198825924 CTZKZCNINOJIRN-XLIONFOSSA-N 436.350 4.664 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CCNc2cc(Br)c(C#N)cc2F)C1 2205241721 NMTHKQKAJJNCJR-XOBRGWDASA-N 438.341 4.909 30 10 IJEE CC(C)n1ncc([C@H](N)C#Cc2ccccc2Br)c1NC(=O)OC(C)(C)C 2235718339 DGKMTQMFBNXZCI-QGZVFWFLSA-N 433.350 4.625 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CCC[C@H]1NC(=O)OC(C)(C)C 2235730416 OQRLPDVMZPPQML-WOIUINJBSA-N 435.406 4.862 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C#N 2243918239 CUDPFGJVQANSLK-DFBJGRDBSA-N 445.563 4.844 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)CC(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1 2247932239 PUWYSAKIJDUPGP-UHFFFAOYSA-N 427.419 4.963 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2255614345 GIUDPJPTWJKXOG-UHFFFAOYSA-N 430.354 4.522 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CC3)cc(C(F)(F)F)c2)OC1(C)C 2267128355 QBWXBIVVVYTWLJ-UHFFFAOYSA-N 445.290 4.809 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1c(Br)ccc(OC)c1N 2270561473 QENPOJKMDDXDGL-LJQANCHMSA-N 429.355 4.526 30 10 IJEE C[Si](C)(C)C#C[C@@H](OCCCN)c1scc(Br)c1Br 2277376078 ANBLGCUAVKCIGO-LLVKDONJSA-N 425.262 4.560 30 10 IJEE C[C@H](c1cc(Br)cs1)N(C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280769346 XWFHQQXDIKNYPL-LLVKDONJSA-N 441.175 4.541 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(OC)cc2Br)CN(C(=O)OC(C)(C)C)C1 2281056399 QRPMHXAPHDVNPN-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 2293983806 YMRWHIHSZNIISF-UHFFFAOYSA-N 429.339 4.835 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(N)C#Cc1ccc(Br)cc1 2296222194 PPPWGYVSFFWZRC-IXZPJTSHSA-N 433.390 4.602 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC=CCN1C(=O)OC(C)(C)C 2296292428 YIFJYSNZARUWMQ-WOJBJXKFSA-N 433.390 4.734 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2296306785 LTKLZTOABPLQHY-RXVVDRJESA-N 439.369 4.518 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)cc1 2296601897 QABYXWPARWUAFH-UHFFFAOYSA-N 437.536 4.909 30 10 IJEE COC(=O)c1ccc(C=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 2314548322 SQPMNDSEIMUJPH-UHFFFAOYSA-N 442.566 4.570 30 10 IJEE Cc1ccnc(Sc2cc(I)ccc2Br)c1C#N 2316383187 XXRDDGCGGGSHOQ-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2nc3ccccc3[nH]2)C4)o1 2322192934 FBZKDWZUKNPRKQ-UHFFFAOYSA-N 427.460 4.741 30 10 IJEE O=C(COc1cccc(C=CC(=O)c2cccc(Br)c2)c1)NCc1ccco1 2323098084 QSEBTYWTUOBQFC-UHFFFAOYSA-N 440.293 4.633 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c(OC)c1 2323283371 ADPUBMVYHQYECH-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COC(=O)COc1c(OC)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2324262036 PEWAAXOEZCRZSQ-UHFFFAOYSA-N 442.508 4.592 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)cc1 2325019476 LUTPZIWSPJVKRY-GOSISDBHSA-N 443.499 4.876 30 10 IJEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325118387 ONDOHJVWJSHDIR-UHFFFAOYSA-N 448.874 4.752 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325718173 QOIGOJKHUFRQLD-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SC)cc1OC 2326489569 KXBZUYWWLRFKJB-UHFFFAOYSA-N 446.960 4.830 30 10 IJEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2328051534 WWOCYASDOLFJMG-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE C=CCOc1ccccc1C=Nn1c(Cc2ccc(OCC)cc2)nnc1SCC=C 2328568677 RHDAZYUXEXDVLR-UHFFFAOYSA-N 434.565 4.993 30 10 IJEE Cc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2328992340 RTYPRJBBGXPQTI-JOCHJYFZSA-N 447.608 4.794 30 10 IJEE Cc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2328997825 KGJXTVJBYZLNOZ-QFIPXVFZSA-N 447.608 4.794 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cccc(O)c1 2331326333 XCTUSXJJOXKCGH-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)c1OC 2331522857 KIMMPZKFRDNGPR-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cccc(Cl)c1 2331636756 WCWRKTOQNBOVFE-UHFFFAOYSA-N 427.961 4.805 30 10 IJEE O=C(Oc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1cnccn1 2331860926 JPVLCQMLCFQNSO-UHFFFAOYSA-N 444.230 4.807 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CCc1ccc(OC)cc1Br 2339380390 MQTUFPBXLVGFPL-QZTJIDSGSA-N 428.367 4.611 30 10 IJEE C[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C[C@H](C)N1C(=O)OC(C)(C)C 2339535001 JPAGFFFFOBLHRJ-ROUUACIJSA-N 443.397 4.560 30 10 IJEE Cc1cc(CN2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369730032 USYIZJPGFTZQPW-ZRBLBEILSA-N 448.460 4.778 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)N 2381193476 ZNFIZTHOTVLKIX-IALDWUNLSA-N 434.378 4.990 30 10 IJEE C=CCOc1ccccc1/C=C1\SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O 2310139 MFSPGEHZTKEXKW-PGMHBOJBSA-N 439.968 4.697 30 10 IJEE Cc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)C[C@H](C(C)(C)C)CC4)C2=O)cc1 9779315 JIRQRVYPWDZGMF-WIYYLYMNSA-N 433.577 4.837 30 10 IJEE CCn1nc(C)c(CN/C(=N\C(=O)c2cc(C)cc(C)c2)Nc2ccc(OC)cc2)c1C 32972038 KAAJOLJPFQUVJH-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cccc(C)c2)C3=O)cc(OC)c1OC 35550430 YBHJZLQFRBFGMI-SRZZPIQSSA-N 446.455 4.856 30 10 IJEE C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 36308273 CFZDGKMQTCAHKK-QFIPXVFZSA-N 435.568 4.655 30 10 IJEE Cc1ccc(C(=O)C[C@@H]2S/C(=N/N=C3c4ccccc4-c4ccccc43)NC2=O)cc1 39843255 CXVHQNLMWKOOEL-QFIPXVFZSA-N 425.513 4.588 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1)c1ccccc1 59309628 PUXWEBJHBYWKHV-MFKUBSTISA-N 443.532 4.805 30 10 IJEE CCCCSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccco3)[C@@H]2c2ccccc2)s1 102622587 PYOBVJKRFMISNQ-SCDSTIRESA-N 441.534 4.650 30 10 IJEE C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1[C@H]1COc2ccccc2O1 115183385 AAPPVBXHQWSGTJ-DNVCBOLYSA-N 447.520 4.880 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccc(C)c2)c1 169970941 JHAMXPKBPSYXPW-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972598 FUCMRNJRWOFKBR-XMMPIXPASA-N 443.474 4.848 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1 170055045 XGSFZOQOPOPKSJ-QHCPKHFHSA-N 431.463 4.655 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2)c1 170064922 MIGOHTSODGSUDP-JOCHJYFZSA-N 425.500 4.836 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 170153617 WQVGRQZHSJSRBP-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)c(C)c1 170172283 MOCYUSTWFATHFN-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)ccc1OCC(C)C 170230194 WHERTLOUYKVGCA-QPPBQGQZSA-N 449.547 4.787 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2Cc2ccco2)cc1 170266417 PTVGBCUOLABKDN-QHCPKHFHSA-N 429.472 4.555 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCOC(C)C)[C@@H]3c3ccccc3C)oc12 170270656 BGGVAPLDYXELMM-JOCHJYFZSA-N 449.503 4.753 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2C)cc1 170273669 CMUNCSYXAPWJBJ-REWPJTCUSA-N 435.520 4.541 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)c1 170279162 UZBLKGBMNUXATD-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 170425272 LHZVAHNTZUZIEL-IBGZPJMESA-N 438.936 4.926 30 10 IJEE N#C[C@@H](CNc1cc(Br)ccc1I)c1ccccc1 311567273 PWQSDPPPJQTKAX-LBPRGKRZSA-N 427.083 4.773 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 426768975 DWJWDXOFDKIXCY-UHFFFAOYSA-N 440.573 4.637 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)cc1 433272642 XIQNTRQLWAIODI-LJQANCHMSA-N 435.421 4.907 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 436326866 QQQHGKWVVQNTCB-TZIWHRDSSA-N 441.560 4.767 30 10 IJEE COc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)c(OC)c1 460896201 GRHPGPLJIXVTOI-QFIPXVFZSA-N 431.540 4.831 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 475558633 KORZORIUOMEHIZ-HSZRJFAPSA-N 425.548 4.873 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(-c4ccccc4Cl)c3C(C)C)cc2C1=O 482710488 UZGWCIKJEGPPRD-UHFFFAOYSA-N 448.910 4.683 30 10 IJEE COc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)c1 526657387 QYVMFASXSBTIHK-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549733479 ILFCPEIZCNFJML-OAQYLSRUSA-N 448.958 4.522 30 10 IJEE C=C(C)Cn1c(CC(C)C)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 567182592 RDKXTPWQTZBFNL-OAQYLSRUSA-N 427.980 4.658 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 577195052 ROACYRBFSGKNHP-IIBYNOLFSA-N 437.475 4.535 30 10 IJEE O=C(C[C@H]1SC(=NN=C/C=C/c2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 585657518 ZVFZCPZCPHBJJD-QIVYZAJKSA-N 447.347 4.609 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Cc3ccccc3OC)CC2)cc1 588250239 VOKBAIIUSRPJQU-UHFFFAOYSA-N 447.579 4.996 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc(C(=O)OCC)cs1 610153073 LHZGEXGFMHGFAK-UONOGXRCSA-N 440.443 4.541 30 10 IJEE CC(=NNc1ccc(Br)cn1)c1cccc(OCc2cn3ccccc3n2)c1 727265968 DMCWRLLTCQXWTR-UHFFFAOYSA-N 436.313 4.907 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)n1 730829335 CNTPWJYWPXSKTQ-OALUTQOASA-N 447.589 4.696 30 10 IJEE C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)Nc1ccc2c(c1)OCCCO2 735319983 HPWDSKYCOUXQAV-CQSZACIVSA-N 432.929 4.664 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 1124220257 BBHQEJZCFGLJGJ-UHFFFAOYSA-N 426.925 4.974 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Cn4cncn4)c3)cc2Cl)c1 1125729873 GVARMZISXIONER-UHFFFAOYSA-N 443.894 4.683 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cc(I)cc(Br)c1C 1127520389 REJJAXOGWBZZMX-JTQLQIEISA-N 436.131 4.837 30 10 IJEE C#C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1F 1129734753 BJSIOPJYZOYGLB-QHCPKHFHSA-N 444.897 4.890 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1131105544 KHOSFMHBPXDFHF-MBOZVWFJSA-N 439.021 4.625 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc2ncn(C)c2n1)c1ccc(C)c(C)c1 1136698811 XURUYELTAPISCB-UHFFFAOYSA-N 426.520 4.997 30 10 IJEE C=CCCC[C@H](C(=O)N1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1153975895 KRKYJSISSZEVTQ-LIXHSBQKSA-N 442.600 4.753 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 1157953534 NDFPXYYKHYBSEE-HUUCEWRRSA-N 442.478 4.503 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1cc(CC#N)ccn1)c1ccc2ccccc2c1 1208111563 IBRWRFAGJDYDAD-OAQYLSRUSA-N 445.523 4.688 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c1 1214885622 HAAWTLSIWWFISB-XUVXKRRUSA-N 429.561 4.797 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1cc(Cl)ccc1OC(F)F 1231383851 KPVAHLQWYQVYAD-ZDUSSCGKSA-N 428.863 4.876 30 10 IJEE C[C@]1(c2ccccc2)CCCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1252506969 GZDXEFGUAQNVHN-MHZLTWQESA-N 430.596 4.676 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1nc2ccccc2n1CCc1ccccn1 1265649257 AOABBVLEDSSLKA-UHFFFAOYSA-N 446.308 4.560 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCO[C@H]1C(=C)C 1286368671 OXMDZJSWIBZSER-GCJKJVERSA-N 436.556 4.863 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCN1CCCC[C@H]1C 1286454992 QNLDIRNONJLPQX-HXUWFJFHSA-N 425.596 4.619 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)C)C1 1286542581 NBOTWNUELPWWCR-GOSISDBHSA-N 433.394 4.865 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286584870 VFMNAEPYPYQZMF-NHCUHLMSSA-N 432.616 4.848 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1286595552 BQDCDQZFSQEJCV-FQEVSTJZSA-N 437.613 4.933 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1C2CCC1(C)CC2 1286605037 ZFZIHMKKYUKPHZ-UHFFFAOYSA-N 449.368 4.961 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286620323 JHFVCPROMZUHCH-PVXIVEMSSA-N 432.849 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286668853 VPPMHWINUVDKBW-UUOWRZLLSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(CC)C1 1286674161 NTABHWYOBOVOCC-VWLOTQADSA-N 426.605 4.680 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1ccsc1Br 1286679747 BPBJXYZWPLLMPD-UHFFFAOYSA-N 447.406 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCCC1(C)C 1286753054 SDDINTMZCGKOKG-JOCHJYFZSA-N 445.405 4.827 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1Cc1ccc(N2CCCCCC2)nc1 1286754458 YDMANNCAWYBADU-UHFFFAOYSA-N 428.584 4.947 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1 1287938561 AOINQMUGULHJTN-DEOSSOPVSA-N 447.564 4.794 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](F)(C#N)C1 1295026771 DMZXNJKUCBKUQF-FXHACXQTSA-N 436.304 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCOCCC(C)C 1300284128 PQEDMSSCCJAFRL-KRWDZBQOSA-N 433.394 4.618 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1300431013 RTLJHGRAZUVNIE-AQNXPRMDSA-N 444.023 4.509 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H](C)c1ncc(C)s1 1300644523 YWZPJTHWPWBUEG-INIZCTEOSA-N 441.626 4.607 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 1300877087 UIUDKACANILEPA-DNVCBOLYSA-N 449.368 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCOC[C@H]1OC 1300904717 FHOPBZCOIXDSRF-NLWGTHIKSA-N 444.645 4.585 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(OC)C2CC2)CC1 1301073244 YNJUISJXXIULHQ-LJQANCHMSA-N 437.407 4.741 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C#N)o1 1301169040 ZJZIGJOFNGTCMX-UHFFFAOYSA-N 443.349 4.731 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@H](CC)N1CCCC1 1301357883 TUGPISHOFYWAJU-IBGZPJMESA-N 425.602 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1C1CCCCC1 1301379970 XGXJPAGOAKETOO-OAQYLSRUSA-N 441.023 4.969 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1301396680 AFXDJHGSXWRCIB-JOCHJYFZSA-N 435.503 4.683 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](C)C1 1301399443 NFFFNQSNHTWZJJ-RBBKRZOGSA-N 444.583 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1301542839 RXMLIBFQNICKLJ-ZMMAXQRCSA-N 448.970 4.723 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@H](OC)C(C)(C)C)C1 1301543975 ROINWAQPBLLPBA-AUSIDOKSSA-N 449.599 4.644 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1307494438 HOEBURSGHIXVTG-VQTJNVASSA-N 428.577 4.649 30 10 IJEE N#Cc1sc(NC(=O)N2CCC(c3cccc(Br)c3)CC2)nc1Cl 1310857765 FLTPGCLLBHEATG-UHFFFAOYSA-N 425.739 4.842 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1313347929 BUZVFEVASJHGPE-HNNXBMFYSA-N 427.998 4.745 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccccc2)C1 1321462555 NSELEBIIBNVESE-QFIPXVFZSA-N 436.357 4.886 30 10 IJEE COc1ccc(-c2nnc(-c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)o2)c(OC)c1 1326495986 HFLBUKWTTQEKPU-UHFFFAOYSA-N 429.480 4.815 30 10 IJEE C=C[C@H](CC(=O)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 1348924477 SFFFHHSIEZEOPV-QGZVFWFLSA-N 427.547 4.839 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c(C(=O)OCC)c1C 1352311612 KIDIXVOCGWZAQT-KGLIPLIRSA-N 449.475 4.596 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 1352756979 JABSMEIQMBMLFS-FQEVSTJZSA-N 428.960 4.698 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nn(-c2ccccc2)cc1C 1357803798 OJKQAOHKSTUTHK-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(C2CC2)CCC1 1358876133 CPAQHEMZRSTBCX-CQSZACIVSA-N 431.353 4.885 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCC1(C)C 1358953505 ZOGXONAQMAEQSM-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCCC[C@H]1C 1359007748 UQIFJJDRHYHPPN-OAQYLSRUSA-N 446.599 4.714 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359119378 PIALHXVRTVCCLK-OAQYLSRUSA-N 439.604 4.919 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1359125648 NIFXQSNXNRBERS-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1359136099 ZAJDCTJHEYXCRU-UPVQGACJSA-N 443.680 4.694 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1359174912 UDTYLBFJKBIZJU-KRWDZBQOSA-N 432.515 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359190202 IGDGAXIRKSFCGZ-LAUBAEHRSA-N 434.415 4.886 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@H]1CCCCO1 1359233883 USOYJHKIOVSQHG-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1359246690 IOYMGYBKTLJOFB-WIYYLYMNSA-N 447.549 4.859 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccco1 1359257214 CRJGKNNTLSAVTG-DHIUTWEWSA-N 445.567 4.902 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCSC2(C)C)C1 1359316405 OBMMRWZTYNMSSK-NHCUHLMSSA-N 426.630 4.821 30 10 IJEE C=CCCCCCN(C)C(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1360895154 RUAOSRABLUMMHE-UHFFFAOYSA-N 445.283 4.867 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)c1 1361103452 ARQCKWVELZZGSV-UHFFFAOYSA-N 435.570 4.760 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2Cc2ccc3c(n2)CCCC3)o1 1361190968 CTGYNISRWZBDML-UHFFFAOYSA-N 432.572 4.935 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(Oc2ccncc2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1435901571 TUAMNEGIWMKCHI-XMMPIXPASA-N 444.531 4.985 30 10 IJEE COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 1436226211 BGUIAKADKSPUFX-AVRDEDQJSA-N 444.556 4.860 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2cc(F)c(OC)cc2F)c1CCC)c1ccc(Cl)cc1 1436647653 FPCPBDRUFPXQMK-LJQANCHMSA-N 443.881 4.869 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1456897763 SCFAMCJDPNATIW-UDNBHOFDSA-N 448.544 4.894 30 10 IJEE C#Cc1cccc(N(CC(=O)N(C)CCOc2cc(C)cc(C)c2)Cc2ccccc2)c1 1459793085 HDMUUEDMWJLOLQ-UHFFFAOYSA-N 426.560 4.829 30 10 IJEE Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)cc4C#N)CC3)c2c1C 1461547734 HSNRVLFOVZYZCL-UHFFFAOYSA-N 425.945 4.688 30 10 IJEE C=C(C)[C@@H](NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1467261049 IEAHQEAVSMZDTN-OXQOHEQNSA-N 438.515 4.850 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 1468804877 PIGIOHXNOTXYRV-SFTDATJTSA-N 443.494 4.790 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)C(=O)OC 1471896058 ZALBUZLLEVCVPE-LJQANCHMSA-N 446.341 4.656 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)CCCC1(C)C 1475250619 UYCWTIWUXYVCDX-SFHVURJKSA-N 426.376 4.579 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@H]1C(=C)C 1507546290 PWHAWEVFUKFCTR-MRUHUIDDSA-N 449.382 4.603 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(Br)cc1 1507804622 HIVLCMSXFDGRPS-WIYYLYMNSA-N 445.405 4.611 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1507869222 SFGFBVMVIJAIQH-UHFFFAOYSA-N 431.987 4.790 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1507923040 KYXFQCRTUYOYGG-UHFFFAOYSA-N 446.599 4.558 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)C1CCCCC1 1507971470 UJXYDBMROAIMCP-NRFANRHFSA-N 433.394 4.661 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1508027664 MTFNAHQWYXXFAJ-IRXDYDNUSA-N 446.477 4.857 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1508152533 NDMPYDJAFIZZTJ-HZPDHXFCSA-N 440.535 4.958 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](CCC)C1 1508155630 QNLXVGRKKLCDMU-LJQANCHMSA-N 439.585 4.525 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1508168879 ZPTIXJFHSRNHIB-UHFFFAOYSA-N 444.645 4.787 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2CCCCO2)C1 1510289143 BWOZCDKHRVGDFP-NZQKXSOJSA-N 427.980 4.612 30 10 IJEE C#CCOc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 1514571473 QNBRQGHIYZWGBR-XMMPIXPASA-N 433.891 4.643 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 1516446532 ORCMXVZTUHHJNP-UHFFFAOYSA-N 435.505 4.539 30 10 IJEE Cc1cncc(N(Cc2ccccc2Br)C(=O)c2cc(C#N)cc(N(C)C)c2)c1 1518689147 BBIZSZZMMXLHTB-UHFFFAOYSA-N 449.352 4.937 30 10 IJEE C=CC[C@]1(C(=O)Oc2cc(Br)cc(F)c2F)CCCN1C(=O)OC(C)(C)C 1519622685 XZKLKEJJYDVGOB-LJQANCHMSA-N 446.288 4.979 30 10 IJEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 1521353640 CESAMIPDXGQSAI-UHFFFAOYSA-N 427.548 4.778 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1cncc(C)c1)c1ccc2c(c1)OCCO2 1522212145 LJFLRMTULDIGGC-DHZHZOJOSA-N 442.515 4.973 30 10 IJEE C=CC[C@]1(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)CCCN1C(=O)OC(C)(C)C 1524978775 UBBAABQDMXKYIZ-XMMPIXPASA-N 443.975 4.983 30 10 IJEE CO[C@@H](C(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccccc1Br 1526158414 DMUMDWWAQDGVRM-HXUWFJFHSA-N 425.282 4.835 30 10 IJEE COc1ccc(-c2ccnc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)cc1 1528283230 BJLNDJUHVIKQCE-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2ccc(C)cc2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1529014555 JQHCLDWCNQWZBC-QHCPKHFHSA-N 448.588 4.850 30 10 IJEE COC(=O)Nc1cc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc(C(F)(F)F)c1 1530344362 DVYGDSLBZRIHOE-UHFFFAOYSA-N 447.291 4.906 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)c1 1534422165 NQTZKMBCPBAQTP-UHFFFAOYSA-N 444.434 4.664 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 1535483632 OWRGFQGYLCTZCP-MRXNPFEDSA-N 442.294 4.585 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccc(F)cc1 1538971413 ATCCUJXKMIOEQQ-AWEZNQCLSA-N 444.352 4.611 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)nnc1-c1ccc(Cl)cc1 1538974911 ZIZIMRJGBWUHDS-CQSZACIVSA-N 440.956 4.839 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(F)(F)F)C1 1539079590 WJSZLJUFZOSLRN-IBGZPJMESA-N 429.490 4.863 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccccc1C 1539245374 GEYMLQPJJAAPCS-IBGZPJMESA-N 428.605 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1Cc1csc(CC)n1 1539566267 FEJVPNAWCXINCY-XMMPIXPASA-N 435.597 4.533 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ncc(CC)s1 1539676149 KLUFQIBDXOVBSX-UHFFFAOYSA-N 425.602 4.944 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(C)C 1539801538 CBKPTYJZTUQURU-KRWDZBQOSA-N 426.005 4.627 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCCS2)CC1 1539870917 CJNIKFKXWHXGCJ-NRFANRHFSA-N 439.629 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1539906839 UOUPFNNPACQFCA-OAQYLSRUSA-N 437.632 4.868 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1ccsc1)N(C)C 1540048497 WOKSAAHVTFFDCF-JXFKEZNVSA-N 429.565 4.544 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nnc(C)s1)C1CC1 1540095781 VVLABIXBUUUXQB-KRWDZBQOSA-N 438.601 4.592 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1540139769 FASYGXBUINJHRV-GOSISDBHSA-N 443.617 4.630 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[C@@H](O)C1 1540140928 WVTBDPYILZUTLL-RBUKOAKNSA-N 438.597 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1540171624 COPWXNRMQITJFS-RDGATRHJSA-N 429.568 4.610 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)C1CCCCC1 1540881084 XYZDZIRFCJUWIX-IBGZPJMESA-N 432.572 4.753 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540911640 XOUZGECQMNIQEN-FQEVSTJZSA-N 443.020 4.864 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1540913749 RTWSDFLPYIGVRV-LJQANCHMSA-N 436.629 4.922 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 1540919183 IQGJRLJICDBWMV-UHFFFAOYSA-N 440.535 4.598 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1540922342 LJGCZPHXXPSXHI-SFHVURJKSA-N 432.659 4.802 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)N2CCCCC2)C1 1541375774 BPNAZRFSYNLJOH-XUZZJYLKSA-N 434.632 4.954 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CCS1 1541394684 AFMHDMZAMUAIPN-JOCHJYFZSA-N 439.629 4.601 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1543171347 JKCANVUHIJHMOK-HNNXBMFYSA-N 442.478 4.647 30 10 IJEE Cc1ccc(Oc2ccccc2CC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1543748891 IFTDUHNNKRYUNT-UHFFFAOYSA-N 425.532 4.987 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 1544741590 YEIOQZJXSPBINC-HXUWFJFHSA-N 429.561 4.501 30 10 IJEE Cc1ccccc1Sc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1545289668 FSTKEZXYWCYTJL-IBGZPJMESA-N 437.565 4.731 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(F)c(N4CCCCC4)c(F)c3)n[nH]2)c1C 1546202771 UDOIHMUQBDIJTA-UHFFFAOYSA-N 440.498 4.597 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3ccccc3C)c2CCC)CN(C(=O)OC(C)(C)C)C1 1556194265 SCORRLOMRRJIBV-UHFFFAOYSA-N 438.572 4.885 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 1556259522 BZGFAIKSUYOOPF-MRXNPFEDSA-N 432.442 4.662 30 10 IJEE C#CCN(C(=O)c1oc2ccc(Cl)cc2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1558369842 CDJRKESPOLMTBP-UHFFFAOYSA-N 430.932 4.870 30 10 IJEE C=CCn1c(SCc2cc(Br)cnc2OC)nnc1-c1ccccc1F 1559333134 HDQUTPPFRRTYQZ-UHFFFAOYSA-N 435.322 4.729 30 10 IJEE C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1)Cc1ccccc1F 1559495695 PBTPZYCUSTVLHN-UHFFFAOYSA-N 447.510 4.713 30 10 IJEE C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(=O)(=O)c1cc(Br)ccc1C#N 1561346003 ASYUDIVSNRRYKM-QWHCGFSZSA-N 441.778 4.787 30 10 IJEE C#CCN(C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 1564519636 VJYXFZMKHCKTGJ-WMZHIEFXSA-N 439.600 4.744 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 1583506544 STHWPGLSDPMBSQ-DYVFJYSZSA-N 429.314 4.861 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1584398586 QVZYUJNNFKIESS-MBSDFSHPSA-N 442.581 4.669 30 10 IJEE C=CC(=O)Nc1ccc(O)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 1584654406 FTPFZJLQYLDVQP-UHFFFAOYSA-N 447.878 4.873 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 1586269127 AEFXMZXEEDVKOR-GHTZIAJQSA-N 435.524 4.523 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)C[C@H](CC#N)c2ccccc2)c(F)c1 1586583676 AQKVLKXKJRKWEM-IBGZPJMESA-N 425.504 4.554 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl 1587242366 QBOSLVXFSPYHPD-OLZOCXBDSA-N 435.735 4.579 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCc2cccnc21 1587563181 YRKMJPDOFAZGJI-BJLQDIEVSA-N 433.531 4.530 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1587777409 DUPDONNBUMVODC-RUZDIDTESA-N 438.591 4.903 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N 1589505225 LRCMYHGECALFBW-VCBZYWHSSA-N 434.371 4.829 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1589544571 IUELQKIZZUARLI-VQIMIIECSA-N 442.913 4.892 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Br)cc1 1593654862 KMXXBNWRPLGUMG-UHFFFAOYSA-N 432.391 4.609 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](SC)C1)c1ccccc1 1594543408 AEMTZMIQOGASOL-IRLDBZIGSA-N 436.629 4.760 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1594582406 QAQLATUYKRUQPI-UHFFFAOYSA-N 447.583 4.944 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1595065774 XPMPALNIWVQQNC-UHFFFAOYSA-N 427.474 4.680 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H](C)CN1CCCCC1 1595127330 MLWDQCGZTOUPJX-OAQYLSRUSA-N 448.590 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1595133442 HEJBYOAOQUTUNJ-AKIFATBCSA-N 442.579 4.913 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCO[C@@H]1C(C)C 1595204704 JFUJGURZZHBHRU-NFBKMPQASA-N 433.556 4.840 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccnc(C(F)(F)F)c1 1595222544 FAJXMBNFWFBJNE-UHFFFAOYSA-N 449.427 4.788 30 10 IJEE C#C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(Cl)cc1 1596960664 GBNFGDCCZOKRFH-FQEVSTJZSA-N 426.347 4.962 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2c(OC)ccc3ccccc23)CCCN1C(=O)OC(C)(C)C 1597484778 MHOAIJZLPSQJQR-SANMLTNESA-N 438.568 4.853 30 10 IJEE C=CCn1c(SCCCS(=O)(=O)c2cccc(C)c2)nc2sc(C)c(C)c2c1=O 1613269949 SIXPTKHCGMNZQJ-UHFFFAOYSA-N 448.635 4.525 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 1616734282 CYQGMJWWKHCRDY-OAQYLSRUSA-N 431.504 4.602 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C(=O)OC(C)(C)C)c1ccccc1 1620620179 CBTSUEQWDULJAY-JTSKRJEESA-N 439.581 4.549 30 10 IJEE C#CCN(C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1)[C@H]1CCCc2ccccc21 1623074841 NPWGLWVFWFJQMM-QHCPKHFHSA-N 442.519 4.594 30 10 IJEE Cc1ccc(OCc2ccccc2)c(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 1624121147 CWVIMQWRWYAGCQ-UHFFFAOYSA-N 444.510 4.939 30 10 IJEE C=CCCCC(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1626255798 XICJBEMISRXZMK-UHFFFAOYSA-N 430.593 4.587 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F 1628320019 MPVGTIFSZJMGHN-UHFFFAOYSA-N 437.312 4.736 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 1628397076 UGKLBQRJGUNGGY-SJORKVTESA-N 426.344 4.924 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1636557822 TUUHLEODHJCRDB-GBXCKJPGSA-N 445.991 4.980 30 10 IJEE C#C[C@@H](CCC)NC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 1636563085 SCAISVRIILBVAA-PKOBYXMFSA-N 439.419 4.537 30 10 IJEE C#CCN(C(=O)c1cccc(Oc2ccccc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327779 VAWBPOGUGAIILH-UHFFFAOYSA-N 434.536 4.954 30 10 IJEE C=CCN1CC[C@@H](Sc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)n2C)C1=O 1640601527 ACZULLYZAYTIJB-NVXWUHKLSA-N 430.643 4.574 30 10 IJEE C=CCn1c(SCc2ccc([N+](=O)[O-])c(F)c2)nc2sc3c(c2c1=O)CCCC3 1640692873 CCCFLKBQMFOLPW-UHFFFAOYSA-N 431.514 4.862 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(O)c(Br)c1 1642540805 MPKSGFRLPMNSAS-CQSZACIVSA-N 439.147 4.834 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1Cl 1642872612 NBLLBDZIIUWQGD-HNNXBMFYSA-N 445.785 4.968 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 1643327834 CPWAXEGYSPRBRK-CABCVRRESA-N 434.565 4.546 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C#N)C3)ccc2C)cc1 1651576898 GRRRTADQPOFHAZ-FQEVSTJZSA-N 439.581 4.514 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1)C(=O)OC 1651596956 UPVADJGIWIVZNC-GOSISDBHSA-N 429.929 4.806 30 10 IJEE COc1ccc([C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 1652790799 CUPGKGZLVSYRML-LOSJGSFVSA-N 429.495 4.581 30 10 IJEE C#C[C@@H](NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1 1658085550 VIXBCBFIIOIVGU-GOSISDBHSA-N 426.339 4.992 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)cc1 1658799040 MKSOJBRPUGATPP-UHFFFAOYSA-N 427.504 4.776 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1 1659035812 BQUQFKOZTHZBHS-VWLOTQADSA-N 427.589 4.950 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 1659764123 FPIFUOKMJGJBBO-UHFFFAOYSA-N 441.354 4.890 30 10 IJEE CC[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@H](CC)CN1C(C)=O 1661860144 FKODCDOSYIYETP-LEWJYISDSA-N 436.581 4.963 30 10 IJEE COc1ccc(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1OCc1ccncc1 1665463762 CPIZDGBAGKNJNS-UHFFFAOYSA-N 442.519 4.952 30 10 IJEE C#CCOc1ccccc1OS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 1667152426 METUPFZRNYFCLM-UHFFFAOYSA-N 443.318 4.896 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C 1668388993 DMDJPTKCMGXATP-VQIMIIECSA-N 430.549 4.503 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 1672798938 CYENYVSSPFLCGY-IAGOWNOFSA-N 432.952 4.713 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)NC3CCCCC3)cc2n1 1674577361 ZZHQIVXBTOLYGT-OAQYLSRUSA-N 439.560 4.668 30 10 IJEE C=CCCC[C@@H](NC(=O)NCCNC(=O)c1ccccc1C(F)(F)F)c1ccccc1 1676755553 MADLLHCVLNIVEH-HXUWFJFHSA-N 433.474 4.832 30 10 IJEE Cc1cc(NC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)c(C#N)cc1N(C)C 1678199241 DJIQMQKLWKGNKZ-MRXNPFEDSA-N 427.346 4.717 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccccc1OC)C(C)C)c1ccc(Br)cc1 1680085138 NTAXYXGDMRLDEY-VQTJNVASSA-N 429.358 4.699 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CCOCC1 1680762133 NBNYDCAGOAJLDO-FGZHOGPDSA-N 446.469 4.531 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1680853959 AAGLWLSKYUMBBE-WMLDXEAASA-N 429.483 4.925 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1681784992 YWOKMNSLCAUBOE-NQIIRXRSSA-N 447.913 4.839 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1)c1ccc(F)cc1 1682345543 WVIRDNFRZKVVHG-ZEQRLZLVSA-N 436.527 4.659 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1Cc1cc(F)ccc1F)c1ccc(Br)cc1 1682356911 PASPBTPVEYPKTF-AZUAARDMSA-N 433.296 4.818 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1)c1ccc(Br)cc1 1682357280 WKMUSKWDXJIIKK-DOTOQJQBSA-N 444.398 4.658 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 1685548353 KMANHZYEQGNISH-ZVDOUQERSA-N 429.333 4.872 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCCC1 1687039668 OVRDTQUWYGEUQP-UHFFFAOYSA-N 440.451 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(OC)CCC(C)CC1 1689829369 XSLZMDCSJIFRLZ-GIIQAUJJSA-N 428.552 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1689833846 RHGZSWVPAUHRJO-JXHRLWIKSA-N 446.599 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1689842912 KYTSUBXOASQCSG-XIRDDKMYSA-N 434.462 4.500 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](OC)[C@@H](C)CC 1689863637 XXJJBQZFEBGBTD-CNNODRBYSA-N 426.605 4.674 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccnc(OC2CCCCC2)c1 1690045379 KSFXILKBEQDABK-UHFFFAOYSA-N 431.584 4.553 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1sc(C)nc1C 1690063410 BTWUHQBBDDSCNR-AWEZNQCLSA-N 425.627 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CC)Cc1ccc(OC)cc1 1690245908 OJGLGFNFWSUPMF-NFBKMPQASA-N 426.605 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1690271198 HWFGUWTZDSQOGS-ISKFKSNPSA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1690292649 IRENQNMJVCWMLS-SFHVURJKSA-N 428.989 4.932 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1690377676 MBOCHOOSZGASNI-UHFFFAOYSA-N 439.604 4.591 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@@H]2CCOC2)CC1 1690398909 JHXADZKRUBPCTL-PKOBYXMFSA-N 430.980 4.901 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N(CC)CC)CC1 1690415447 LYQCGYORHXEPFH-OAQYLSRUSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1690574278 VEZNXBHEMHAFQK-UHFFFAOYSA-N 431.606 4.523 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1csc(C)c1 1690611734 XVSKYAHPLUGGMO-UHFFFAOYSA-N 433.581 4.859 30 10 IJEE CC(C)COc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1692443435 FLIRCBYKDSYJHR-RUZDIDTESA-N 430.556 4.553 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CCCS2)c1C 1692898459 BQWSWONJIUJRRJ-SXSPYAJSSA-N 443.592 4.763 30 10 IJEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H](c2cccnc2)C(C)C)c1 1693216285 HMZYQKXQYKLDEA-OFNKIYASSA-N 432.572 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1705484994 ATMHBKJRAAOXOE-MUQADHOPSA-N 443.389 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCc1ccc(Br)s1 1705496878 PDVKESODMRFIQB-AWEZNQCLSA-N 447.377 4.533 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C2CC2)C1 1705511451 VETLTNUGKHUGCY-INIZCTEOSA-N 431.353 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 1705703956 PXMPHIOBEIPDKC-WMQCIHAUSA-N 430.593 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCC[C@H](C)C1 1705711422 LEGMRUOLANYYNN-PMACEKPBSA-N 429.584 4.692 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC=CCO1 1705711824 GFOHIEFRLLSJPK-NRFANRHFSA-N 434.540 4.865 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccccc1 1705746543 VPQWBPJBRWOXEI-AWEZNQCLSA-N 434.769 4.996 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1705748612 UNPXVNCRLFXWMN-HSZRJFAPSA-N 446.979 4.502 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@@H](F)C2)CC1 1705777385 HGVCVGBNMNXBGB-NVXWUHKLSA-N 436.373 4.587 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(CC)CCC2)CC1 1705781256 UNWYYDQITWSMQA-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1)c1ccccc1 1705796280 BZSJMMZRCNVKAP-XZOQPEGZSA-N 435.616 4.791 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC2CC2)CC1 1705803525 TVYKVFTWYHXVCX-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1705807753 NEVILHHQIDRKSF-UHFFFAOYSA-N 430.600 4.564 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCC[C@@H]1C 1705836726 DQPDIQZETSLQSK-ORAYPTAESA-N 439.785 4.534 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CC(C)(C)CN1CCCC1 1705862827 WZBGUMKDMILBTK-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCc2cc(OC)ccc21 1705875416 RJPRPSYWBUYQDF-QFIPXVFZSA-N 429.568 4.571 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1CC1CC(C)(C)C1 1705879892 OLXGTAKAOMZJOB-UHFFFAOYSA-N 425.602 4.898 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705887493 KMIQILVOIDPNJY-IAGOWNOFSA-N 425.577 4.918 30 10 IJEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C[C@@H](C)O1 1709327664 FXRUCAUHTIMRLO-UZLBHIALSA-N 429.515 4.646 30 10 IJEE COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCc2ccc(Cl)s2)cc1 1711873245 GJAOFFPHSJLODV-OAHLLOKOSA-N 445.976 4.562 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1712740070 CYNNCIPQBFEEFJ-ZDUSSCGKSA-N 440.400 4.655 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(Cl)nc2)CC1 1722560166 RBAIPGDVOMJFCE-MRXNPFEDSA-N 427.911 4.810 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccc(OCC)c2)CC1 1722571438 BKAZZEQTBGWYDM-DHIUTWEWSA-N 438.616 4.995 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1722595107 UCCCGYWXCUJFSX-QFIPXVFZSA-N 427.556 4.553 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C)C1CCCCC1 1722635725 VBJXQWBCNNQTOG-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@](C)(OC)CC2)cc1 1722706316 QYPFTBIFZARPJQ-AREMUKBSSA-N 447.583 4.657 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722707415 OLWRIDPQQMLVHB-XZOQPEGZSA-N 447.583 4.593 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](C)OC)C1 1722711585 VHLSPGJXLQWQET-QWFCFKBJSA-N 448.995 4.505 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCS1 1723386674 DJSLIZIYEJBGSS-FQEVSTJZSA-N 449.628 4.997 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)CN1CCCCC1 1740535020 MSUHGCNQJWRPKU-AABGKKOBSA-N 444.023 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(N(C)C)CCCC1 1740543357 NLCXVWFYKNGFTE-OAQYLSRUSA-N 437.632 4.702 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCSc1nccs1 1740550796 JLYZYIPMCRVDQX-OAHLLOKOSA-N 432.018 4.619 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740552948 SOYLYAVOFMPRNO-CZTZKLFOSA-N 438.616 4.565 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ncc(CC)s1 1740559906 XHKJSDWZERWLNQ-HNNXBMFYSA-N 446.045 4.943 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1740590239 KBSDNJVRVKMPBD-UHFFFAOYSA-N 429.609 4.575 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740713427 LGADMMBOJFVTIY-MOPGFXCFSA-N 442.629 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1740732935 VTPLZIGOZBMBBW-OHUGHZGNSA-N 440.035 4.635 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccccc1OCC(F)(F)F 1740772132 QTWCGNNYSKZFRF-UHFFFAOYSA-N 431.462 4.732 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCCn1c(C)nc2ccccc21 1740773264 XGHHNLRVAYNDBN-UHFFFAOYSA-N 429.572 4.799 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cnn(C)c2C)CC1 1740833742 XHCYVOFGPPQSBT-HXUWFJFHSA-N 434.588 4.528 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)cc2F)CC1 1740836264 MZOPTUNKLHJESK-QHCPKHFHSA-N 448.970 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)C2CC2)CC1 1740846902 PRARBTQQXGAZCE-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS[C@H](C(C)C)C1 1740847081 WKKDMSZVRRMOMU-FQEVSTJZSA-N 428.602 4.854 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)CCOc1cccc(Cl)c1 1740848294 HHQRCIKGJMIZKU-SFHVURJKSA-N 432.996 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1740851031 OTOXKBKFVOIQJT-LJQANCHMSA-N 443.586 4.814 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N(C)c1ccccc1)C1CC1 1740913132 GCTVBPLECPBTNL-WWPVKYPJSA-N 437.632 4.876 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1740933443 SNQUPGHDQVRNEG-MRXNPFEDSA-N 425.627 4.738 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2sccc2Br)C1 1740979246 IFKIDDGDNVQQAE-HNNXBMFYSA-N 437.407 4.589 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCC(F)(F)F 1741124621 GCWIXBCKPAAEAN-NSHDSACASA-N 448.262 4.785 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cn3ccc4ccccc43)n2CCSC(F)(F)F)C1 1741987536 FIMFGMZBDKAUTC-HXUWFJFHSA-N 448.518 4.664 30 10 IJEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1CCC[C@H]1CC 1744690822 BOHPQIBTDCLSSJ-MOPGFXCFSA-N 426.996 4.518 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C)s1 1748723834 AHJVPWFOHJYKCW-UHFFFAOYSA-N 429.977 4.715 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CCC1CCOCC1 1748900703 KZPMEJCSNOPZGS-UHFFFAOYSA-N 448.611 4.569 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)Cc1cnc(C)s1 1749183046 MGZGFYWCYPMCMR-UHFFFAOYSA-N 427.574 4.720 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749183073 NEULGIWCILNBHV-NRFANRHFSA-N 448.615 4.749 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@@H]1C 1749238784 BRAHPYBQXAZPHX-HOTGVXAUSA-N 439.387 4.991 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)CN2CCCC2)CC1 1749291842 KAJPYZYKLQOADS-UXHICEINSA-N 444.023 4.960 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC2CCCC2)c1 1749563816 OOONZFQVKQJTHB-UHFFFAOYSA-N 440.551 4.760 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN(C(C)C)C1 1760097113 AIZRLEHOAQRRBT-ACIOBRDBSA-N 437.632 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCc1sccc1C 1760098140 OWRVCDKUCPYCBK-RTBURBONSA-N 438.597 4.887 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1 1760162102 ZBSOCAIIGURYEF-YTFSRNRJSA-N 435.616 4.691 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCc1nc(C(C)(C)C)cs1 1760177273 GBNAUAJJIZAGGO-UHFFFAOYSA-N 437.613 4.540 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CC1CCC(C(F)(F)F)CC1 1760178398 LRWGHPJIWWQTNK-UHFFFAOYSA-N 434.506 4.858 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC(C)C)C(C)C 1760318998 KKSGPSFRJLVLGE-KNQAVFIVSA-N 426.561 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCN(C(C)C)C1 1760334118 RCPCNHUBKNEAIY-JOCHJYFZSA-N 447.631 4.654 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2scnc2C)CC1 1760381842 BMZCYTXMCKEYJB-KRWDZBQOSA-N 427.549 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC(C)C)C(C)C 1760408424 BUNCLDGHOHECGI-UHFFFAOYSA-N 432.634 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1csc([C@H](C)OC)n1 1760494801 VMAWHDJSPHYPPL-INIZCTEOSA-N 434.569 4.817 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N(C)Cc1ccc(Br)s1 1760512694 AADCIYAPLAKZSL-UHFFFAOYSA-N 437.338 4.643 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1760566927 KAQJOAJAJRXICF-UHFFFAOYSA-N 427.376 4.827 30 10 IJEE CC[C@@H](C)N(C)CCn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1762013937 HPQLYPFFKJIAHI-HXUWFJFHSA-N 434.632 4.762 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)CC1)c1ccco1 1764921179 BIGJRGGPVKNSST-QFIPXVFZSA-N 432.572 4.729 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(C(=O)NCC(C)C)cc1C 1772521791 ANJUSBHDMTUWCK-UHFFFAOYSA-N 429.358 4.767 30 10 IJEE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772750940 DFPTZZIAGUYSGV-UHFFFAOYSA-N 446.576 4.887 30 10 IJEE O=C1/C(=C/c2ccccc2)SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 1772759086 LAHXNHHRCRQPCP-FYDGMIJASA-N 432.461 4.694 30 10 IJEE CCOC(=O)c1ccc(CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860824903 BNLJHLHCBVGPIR-UHFFFAOYSA-N 425.897 4.843 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862414307 WZCUKYBJJMBEIK-HXUWFJFHSA-N 443.446 4.986 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC)cc1 1862472799 VGFNHJWPCJMHSL-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862535133 ZZVKSWRIYKIMCN-XMMPIXPASA-N 443.499 4.742 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Br)cc1 1862553824 ZNIZOLFRDQQOMX-FQEVSTJZSA-N 440.337 4.926 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862673355 DDGVLPSENFXJER-WNSKOXEYSA-N 447.462 4.879 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862674052 RTKADNNZGYMQMY-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 1862702885 OGZANEDBCZAORN-XMMPIXPASA-N 443.499 4.612 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 1862740441 DDYWCMXWFFNKSS-LJQANCHMSA-N 428.872 4.873 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccc(C)c2)cc1 1862746623 HNOHRUHWRPSOLN-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCCO)C1=O 1863693996 VXUDOLHGKKATDE-UHFFFAOYSA-N 444.616 4.666 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@H]1c1cccc2ccccc12 1864173162 XGJDOIMUVAIHRE-JOCHJYFZSA-N 444.579 4.642 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1c(Cl)cccc1Cl 1864240207 QUBSBYZDOWZAKQ-SFHVURJKSA-N 449.382 4.549 30 10 IJEE C[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867117351 PHPANFYFCGJVAO-KKSFZXQISA-N 433.458 4.502 30 10 IJEE CC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccccc1C#N 1867184366 WIKRBCQPVONVKE-NRFANRHFSA-N 444.535 4.721 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)cc1 1867671462 SCALDZYFITTYSB-KAYWLYCHSA-N 447.538 4.870 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(C(=O)OCC)CC2)nc(-c2ccccc2Cl)n1 1867976736 DPGMHHVQTLTTDZ-UHFFFAOYSA-N 440.975 4.755 30 10 IJEE CCCCCCCCn1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c(O)cc1=O 1870122191 VSFSDBZYKNOCLA-UHFFFAOYSA-N 445.991 4.530 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1Cc1ccc(OC)cc1 1870615946 AAMJIUKMPZCYSM-UHFFFAOYSA-N 448.538 4.797 30 10 IJEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871209297 DTKOWPLDCBVLTO-UHFFFAOYSA-N 429.520 4.894 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871851101 PHXKCAKEUQGISG-QFIPXVFZSA-N 430.570 4.814 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1871857664 UGDLEXLTAURRNS-JOCHJYFZSA-N 430.570 4.814 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872081000 ZQIRIVZBTMRQKA-NRFANRHFSA-N 434.989 4.742 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872084078 WCMMFGWNTWVJAP-JOCHJYFZSA-N 428.598 4.850 30 10 IJEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872761292 KETFQYKSRBIINE-SFTDATJTSA-N 429.545 4.597 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(NC(C)=O)c1)n2CCCC 1873657022 SMOIWISSLIQNDS-UHFFFAOYSA-N 446.555 4.621 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2/N=C/c2ccc(CC)cc2)CC1 1874284952 HSWXUXDBFDMZCC-MFKUBSTISA-N 427.618 4.764 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccn2)c1 1874309534 ANRPAYUUWSFCAO-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 1874465723 YDMYWFIKWDSMPB-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1O 1874473767 WGJDNDVEINQFFE-MFKUBSTISA-N 448.548 4.509 30 10 IJEE COc1ccccc1OCc1nnc(S)n1/N=C/c1cccc(OCc2ccccc2)c1 1874563790 XVTHHCGHXYSXPH-MFKUBSTISA-N 446.532 4.616 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2Cl)cc1OC 1874566176 NAFNEAVKYGIIIN-OEAKJJBVSA-N 430.961 4.685 30 10 IJEE O=C(COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1)Nc1nccs1 1874578468 PITGSMAEYIAAQZ-SOFGYWHQSA-N 443.322 4.819 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)[C@@H]2CCCO2)c(OC)c1 1875143623 JCKZCYAWEBPECF-DUIUGDAFSA-N 430.884 4.646 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2cc(Br)cc(F)c2C#N)C1(C)C 1885858086 SBHSEWPJAWRMHK-MEDUHNTESA-N 426.330 4.811 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(C)c2)C(C)C)c(I)c1/C=N/O 2079088151 XNVQBAQFBVTVAJ-YEWRBRKMSA-N 425.314 4.720 30 10 IJEE N#Cc1cncc(CNc2cc(Br)c(Br)c(Br)c2)c1 2095444961 AHOTUFZYPMRLKV-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CCc1nc(Nc2cc(Br)ccc2I)c(C#N)cc1C 2155478526 LRHJUTGHINJZEY-UHFFFAOYSA-N 442.098 4.935 30 10 IJEE C=CCN(CC[C@@H](NCCC)c1c(Br)c(CC)nn1C)C(=O)OC(C)(C)C 2192400816 QDWGZZRXTCBRGM-MRXNPFEDSA-N 443.430 4.599 30 10 IJEE N#Cc1c(F)cc(Br)cc1N[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 2193227655 AAWAIYSILHZNSY-QAPCUYQASA-N 442.254 4.935 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2ccc(Cl)c(Br)c2)C3)OC1(C)C 2194122032 YBGIEBSGHIDKCR-ORAYPTAESA-N 440.574 4.801 30 10 IJEE O=C(NC[C@@H](Nc1ncccc1[C@@H](F)C(F)(F)F)C(F)(F)F)OCc1ccccc1 2199320857 RLFRXNARRIUNRI-ZIAGYGMSSA-N 439.331 4.924 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)c1 2224140287 UKQAEBKOEQAODB-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE O[C@H](C#Cc1cccc(Cl)c1)c1cc(Br)ccc1I 2231092687 YBGGQCWAJUKHAT-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CCC(CC)(CNc1ncc(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2232302259 QYAYNMJAJSMBBG-UHFFFAOYSA-N 437.437 4.792 30 10 IJEE CCCCCCCCNC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2244736500 YQDIJISJZAMTJF-UHFFFAOYSA-N 427.630 4.793 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)cc1 2255832432 MBBOPNOLMQFFHF-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1F 2266736409 QZXWAAMAOBOLOS-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2267001961 SCJWNJWRLTVTNU-MYGLTJDJSA-N 439.405 4.845 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296297234 WQJOGIVOTSVECP-OALUTQOASA-N 437.422 4.964 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 2296567518 FTQKMJHFXMDVJQ-FQEVSTJZSA-N 449.532 4.568 30 10 IJEE COC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)Nc1cccc(Cl)c1 2297650786 SNBDXNUWDLMPCK-KSSFIOAISA-N 437.849 4.568 30 10 IJEE COCCN=C1Sc2nc3c(cc2CN1C1CCCCC1)c(C)nn3-c1ccccc1 2297682272 JMVQXXWFJLKABK-UHFFFAOYSA-N 435.597 4.972 30 10 IJEE C[C@H](CCS)CCOCc1ccc(I)c(Br)c1 2306304960 NVVGNBNRVLSIIB-JTQLQIEISA-N 429.161 4.916 30 10 IJEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC1(C)C 2318386830 GAESDOFWECZGOH-IXCJQBJRSA-N 432.656 4.927 30 10 IJEE CCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(C(C)C)cc1 2321028723 SLSPPMBVIALJER-UHFFFAOYSA-N 432.553 4.787 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(S)nnc2CCCOc2c(C)cccc2C)cc1 2322214787 VZKZMLPOBAUOLI-UHFFFAOYSA-N 437.613 4.924 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC(=O)NCc1ccccc1 2323176954 ZJGBIMOSFIAOTJ-UHFFFAOYSA-N 445.515 4.604 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)NCc1ccccc1 2323802769 LNLZSNJEUVDCDD-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCC(CO)CC1 2324173577 VGYPWUOBFGQEAZ-UHFFFAOYSA-N 441.527 4.880 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)s1 2325443886 DODRIASKBBYLLS-OAHLLOKOSA-N 449.532 4.740 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1cccc(OC(F)(F)F)c1 2325702904 OLCHUNBHJPHRIF-UHFFFAOYSA-N 432.167 4.708 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 2325728075 YEWSHIRJBCLTIO-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COc1cccc(C=Nn2c(COc3ccc(OC)cc3C(C)(C)C)nnc2SC)c1 2325814904 WJIYYQQHYDAXRA-UHFFFAOYSA-N 440.569 4.776 30 10 IJEE C=CCSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(CC)cc1 2325921463 FLIOMMKCZLZAEA-JOCHJYFZSA-N 445.592 4.517 30 10 IJEE CCCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1OC 2326726006 YJFPAXWRSNSRPT-UHFFFAOYSA-N 444.532 4.706 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccc1OC 2327458179 GAAAYLJJIKRKQU-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2N=Cc2cccs2)cc1 2328988573 FTBFEQZSZSAXLZ-GOSISDBHSA-N 439.610 4.547 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccs1 2330136731 HEIFBZGHDJULEO-INIZCTEOSA-N 428.583 4.665 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2)cc1 2330675081 HUVHFCCSTBRCQO-UHFFFAOYSA-N 447.608 4.931 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccs2)c1 2331484988 HWKOEEPSPTZOPU-UHFFFAOYSA-N 425.583 4.837 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)cc1 2331485049 LOUWQFJLQPVDGJ-UHFFFAOYSA-N 449.580 4.947 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 2331869434 DANXGRBKIBZRBL-UHFFFAOYSA-N 435.432 4.595 30 10 IJEE C[C@@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339589464 XUVAYWMKFMWHRU-IEBWSBKVSA-N 443.397 4.784 30 10 IJEE CC1(C)OB(c2cc(N[C@H]3CC[C@@H]3OCc3ccccc3)nc(C(F)(F)F)c2)OC1(C)C 2339597175 OQHFCPRFOQBPEM-ROUUACIJSA-N 448.294 4.559 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339598846 ISOUOLNGORXCND-UBJZUDALSA-N 444.381 4.798 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360194033 FCGUOKXNASUNDH-MTQWCTHYSA-N 433.390 4.567 30 10 IJEE C=CCC1(NCc2c(Br)cnn2C(C)C)CCN(C(=O)OC(C)(C)C)CC1 2367988558 WDTJTXMYBSBHOF-UHFFFAOYSA-N 441.414 4.662 30 10 IJEE Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3cc(C)cc(C)c3)c3ccccc32)c1 3041401 XGWOGJUEZQOQKR-VYIQYICTSA-N 428.561 4.849 30 10 IJEE C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)cc1 33271586 ZTBFXNMKXIEXHN-GOSISDBHSA-N 446.532 4.838 30 10 IJEE N#Cc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O 34734351 WEEJUZXQDULQGH-UHFFFAOYSA-N 428.467 4.782 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCC)cc1OC 39911852 CXOYQFHKNFUHKW-XMMPIXPASA-N 447.535 4.928 30 10 IJEE Cc1sc(-c2ccccn2)nc1-c1ccc2c(c1)N(Cc1ccc(C#N)cc1)C(=O)CO2 40601831 WSQDJTQDLMFIBE-UHFFFAOYSA-N 438.512 4.978 30 10 IJEE COc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)c(C)c1 64473835 QJEVUFBDCLEZPY-UHFFFAOYSA-N 434.927 4.932 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1 100153975 SCXCESFVLPGGLA-UHFFFAOYSA-N 431.514 4.776 30 10 IJEE CC/N=C1\S/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)N1CC 104259935 VMBAKLRSLDQHBD-TUIQHYKLSA-N 432.549 4.592 30 10 IJEE O=c1c(Cl)c(N/N=C\c2ccc(OCc3ccccc3)cc2)cnn1-c1ccccc1 169894956 GPEPVRQSOMXCEV-YSMPRRRNSA-N 430.895 4.911 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2OC)cc1 169942633 PTTWVJWKZKXLPE-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)cc2)c1 169963020 WQGYOCONMHHRMQ-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccnc1 170006436 RYEHPTJSGOHMHH-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccnc2)cc1Cl 170008928 CHRRPBSUOMMHNQ-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE Cn1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccco2)c2ccccc21 170084479 JKSBBQYZHPEBKC-QFIPXVFZSA-N 430.435 4.689 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2sccc2C)c1 170105233 CFLYPRVPPKKENB-OAQYLSRUSA-N 447.512 4.783 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1OC 170123954 BUGNSKKNXRXKKZ-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 170126380 IJOCSZDTHOUPFT-OAQYLSRUSA-N 427.472 4.530 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 170128923 YYJBBUQPWVKKRV-NRFANRHFSA-N 442.943 4.793 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1cccc(C)c1 170139357 PNJKUMOJZJALGB-QFIPXVFZSA-N 437.536 4.526 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)c(OC)c1 170163799 NEIDFNAVCZHOAJ-HXUWFJFHSA-N 427.522 4.676 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccn2)cc1 170175164 FCQREIYJUMYLEF-QHCPKHFHSA-N 444.487 4.667 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170186323 YTIKVUIWYVARMY-IBGZPJMESA-N 441.270 4.877 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccnc2)cc1C 170197615 CFQULFWBOBEYHG-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccncc1 170211039 CLDYGYACUPSFJK-QFIPXVFZSA-N 438.524 4.648 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)c1 170227692 ICSYQRUKAJJMQE-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1C(C)C 170229747 LRBDUJPERSKEEL-GBXCKJPGSA-N 449.547 4.966 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1c[nH]c2ccccc12 170256204 FRVZJWUPEVFFSO-QHCPKHFHSA-N 430.504 4.871 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)c(C)c1 170281871 JSBQBLMMNZXHQC-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170286527 TZFSVTSKDMQLIC-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccco2)c1 170291080 KVPOLPGOGIBTQA-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(C)o1 170308616 ASUZDTXFRJAFOG-NRFANRHFSA-N 425.525 4.809 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170368368 KCPIIZHYZUGBEV-NRFANRHFSA-N 434.879 4.840 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC)c(OC)c2)cc1 170391260 UBGHEMNHXAKDKV-QFIPXVFZSA-N 433.460 4.642 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(O)cc2)cc1OCC 170448865 RZTACVSFYZVIEU-HSZRJFAPSA-N 439.508 4.705 30 10 IJEE COc1ccc(-c2csc(=NN=Cc3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 254721702 IFNDHUKPQJOILJ-UHFFFAOYSA-N 429.501 4.878 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3cccc(OCc4ccccc4)c3)c2)OC1(C)C 404915554 OGBQSIAFJGVIRH-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2Cc3ccccc3O2)n1C[C@H]1CCOC1 461556162 DXXWZQOFZGIHTF-ZJSXRUAMSA-N 430.552 4.574 30 10 IJEE N#Cc1ccc(CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCOC2)C2CC2)cc1 461615123 KQNPAFSUWUQGCW-IBGZPJMESA-N 433.943 4.676 30 10 IJEE C=CCOCCCC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469755804 IWKHIORXFNPVIY-INIZCTEOSA-N 425.369 4.607 30 10 IJEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 508888350 NHHCCQMGLFBVNN-GOSISDBHSA-N 441.576 4.526 30 10 IJEE C=C(C)CN(CC)C(=O)CSCCCC(=O)Nc1c(C)cc(Br)cc1C 513458940 WAPWPXGKHBEFBW-UHFFFAOYSA-N 441.435 4.942 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2nccn2C)cc1 517530517 VEJNWTFTALOGEC-IIBYNOLFSA-N 435.553 4.734 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1[N+](=O)[O-] 526821505 VXRICBYTMRKPEZ-QRVIBDJDSA-N 433.493 4.831 30 10 IJEE CCn1c(C)c(/C=N\n2c(C)nnc2SCc2ccc(C(=O)OC)cc2)c2ccccc21 526827089 JDAIXNXWCPIEEV-QFEZKATASA-N 447.564 4.831 30 10 IJEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2cc(C(C)(C)C)sc2C#N)CC1 540272941 QDAUJNIJIFRFIR-UHFFFAOYSA-N 438.597 4.820 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2C[C@@H]2CCCO2)CC1 549517195 OPPKENKLUHHTSE-QFIPXVFZSA-N 430.552 4.860 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CSCc1ccccn1)c1ccc2c(c1)OCO2 609497477 YTXNWASCCZDOQS-UHFFFAOYSA-N 448.544 4.842 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 609506317 ZNUBVJWTBFUTEF-SFHVURJKSA-N 430.504 4.923 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN(C)Cc2nc3c(s2)CCCC3)c1=S 747473000 RWKLRXKVVDPBIF-UHFFFAOYSA-N 429.590 4.831 30 10 IJEE C#CC[C@H](NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)c1ccccc1 760853710 NYOGKZRJKIEOLF-PFSBYRDKSA-N 447.531 4.529 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 761831763 OJWZWORSHSYVMW-DEDYPNTBSA-N 433.861 4.502 30 10 IJEE COc1ccc([C@@H](NCc2ccc(C#N)cc2F)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 774173869 ZRXZGBJNGXQCGP-XZOQPEGZSA-N 439.531 4.936 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1c(F)ccc(Br)c1F 785213372 FLTGWACNPGMPQS-LLVKDONJSA-N 444.297 4.549 30 10 IJEE C#CCOc1ccccc1OC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 788356978 CHAHVFJRNDYVNH-QGZVFWFLSA-N 444.915 4.617 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1cccc2ccccc12 917652505 HJALTYDOFHLRTN-JOCHJYFZSA-N 446.576 4.886 30 10 IJEE O=C(C[C@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 1083927177 HJWRJSQEZLGLPT-OAQYLSRUSA-N 433.508 4.986 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 1125672400 KFLCUISIEAJOTP-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE Cc1cc(Br)cc2c1N(C(=O)c1cc(C)n(-c3cccc(C#N)c3)n1)CCC2 1125792431 ACGVFGWKDPMZIA-UHFFFAOYSA-N 435.325 4.716 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1127588692 OXNWWSOPKSVZGC-IVZQSRNASA-N 439.383 4.834 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CCCC1(C)C 1128572459 ACERRFCNQGMMKJ-LJQANCHMSA-N 427.010 4.576 30 10 IJEE C#C[C@H](NC(=O)c1cc(OCC)c(OCC)c(OCC)c1)c1ccc(Br)cc1 1129609636 YCGAMAWEPIDZDM-SFHVURJKSA-N 446.341 4.750 30 10 IJEE C=CCn1c(SCC(=O)N(C)c2ccc(C)cc2F)nnc1-c1ccc(Cl)cc1 1129857148 JQMFJEWTYBOWBL-UHFFFAOYSA-N 430.936 4.987 30 10 IJEE CCC(CC)N1C[C@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1=O 1130331627 CZGVPVBMWMNZPI-LLVKDONJSA-N 442.375 4.952 30 10 IJEE C=CCCSCCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 1130882111 ZTSNXROQFDJDIN-UHFFFAOYSA-N 433.371 4.741 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)c2nc3cc(Br)ccc3o2)cc1OC 1132210395 ACQVXGBLPNIOLW-UXBLZVDNSA-N 443.297 4.840 30 10 IJEE C=CCn1c(SCC(=O)N=S(=O)(CC)CC)nnc1-c1ccc(Cl)cc1Cl 1133771592 JXYHTQBQGKQLMU-UHFFFAOYSA-N 447.413 4.564 30 10 IJEE CC(C)(C)Oc1cccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 1134422174 FJWQCSGBMKZERN-UHFFFAOYSA-N 434.496 4.839 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1134728139 DZFNAJXBEYLONN-ZDUSSCGKSA-N 443.267 4.619 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 1136986175 IEWIVXKLRPHFQP-QHCPKHFHSA-N 440.421 4.839 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OC 1141632156 AUMDAHWMZZMXDQ-ZISLFAKRSA-N 434.580 4.822 30 10 IJEE COc1ccc(OC)c(COc2c(Br)cc(Br)cc2C#N)c1 1166903375 HSQACMRCJVRQBA-UHFFFAOYSA-N 427.092 4.679 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H](C)[C@@H]3CCO)c2C#N)C1 1171833063 BWFINQTZNZZSIZ-HLIPFELVSA-N 431.646 4.582 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2)ccc1Cl 1180063470 DSIRPBSZFQNXNK-QGZVFWFLSA-N 430.957 4.512 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)c1ccc(Br)cc1 1215500979 KTRCJCCVABPHNH-HAWMADMCSA-N 445.260 4.573 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 1230549273 GIPDOAKWXBHXPO-GOTSBHOMSA-N 431.536 4.826 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1286314797 RRRYIYXMSQUAEA-LJQANCHMSA-N 442.007 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(CCc2cccc(F)c2)C2CC2)nnc1C(C)(C)C 1286568820 YMPNFOQVINIGDU-UGKGYDQZSA-N 426.580 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)c1ccsc1 1286584097 XGLLHSLGXATGCB-XMMPIXPASA-N 440.613 4.846 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)c1ccccc1 1286680067 AIEVBEZGNPOJAM-NSISKUIASA-N 434.506 4.747 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1286721027 QOUQTGOXOQRZEC-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1Cc1cccs1 1286745578 VYKZXTMRUZZLQW-UHFFFAOYSA-N 436.560 4.581 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1286753387 BQBYHGATLIBVHO-UHFFFAOYSA-N 442.567 4.696 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](OC)[C@H](C)CC 1292602303 BHQYEPREZDAXBG-RZTXVSJASA-N 439.604 4.611 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 1292771621 GELPSOABUARLPY-UHFFFAOYSA-N 448.592 4.635 30 10 IJEE C=C(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 1296710982 BOYTVMDITPTHMT-FQEVSTJZSA-N 445.350 4.900 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 1297408553 JBFDDRWWVCWCKM-UHFFFAOYSA-N 438.524 4.845 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl 1298613501 ZWDMGLGPSKCQNU-TZIWHRDSSA-N 432.992 4.960 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1300587437 OPPJREIQOVICIH-UHFFFAOYSA-N 427.577 4.540 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1300965704 WEUBFFADWVSMAT-LJQANCHMSA-N 432.037 4.865 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(N(C)c2ccccc2)CC1 1300996326 DBHKQHSDPTXTPI-UHFFFAOYSA-N 437.632 4.709 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1301177044 PXSKMHLBNFYSAU-OYRHEFFESA-N 441.620 4.528 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301177917 AGUROIQNSFMULN-YZZKKUAISA-N 430.980 4.728 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nc(C(C)(C)C)cs1 1301270693 LPMRUBIHTKUXIP-UHFFFAOYSA-N 433.585 4.760 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCc2c(F)ccc(F)c2C1)C(C)C 1301366524 DHATWRWCUMHKSB-HSZRJFAPSA-N 443.586 4.941 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ncnn1C(C)(C)C 1301371804 GLDMCNRDAXPXHP-FQEVSTJZSA-N 449.603 4.608 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2N(C)CCCC2(C)C)C1 1301541842 FBLMIOBCEPXZTF-NHCUHLMSSA-N 444.023 4.500 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CC(C)C)CC2)C1 1301567084 FNJZWOWUAMNOCC-PWRODBHTSA-N 430.637 4.804 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1CCc1cc2ccccc2[nH]1 1303063621 HCDZKZAIOGLUQM-UHFFFAOYSA-N 427.556 4.830 30 10 IJEE N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1cnc(-c2ccccc2)nc1 1307283067 DZONAHDNUSPJDS-UHFFFAOYSA-N 438.516 4.537 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCO[C@H](C(C)C)C2)cc1OCC 1308410226 OAMISDDLCXAEJR-APWZRJJASA-N 426.395 4.953 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C(F)(F)F)cc1 1309336231 YHYUSGONMLLOHD-QGZVFWFLSA-N 428.432 4.908 30 10 IJEE Cc1ccc([C@@H](CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)N(C)C)cc1 1310719379 AXNJEHXNRHAQPI-JOCHJYFZSA-N 444.583 4.774 30 10 IJEE C=CCC[C@H](NC(=O)NCCc1ccc(I)s1)c1ccccc1 1311831683 RYOJPLLBIGFLMB-INIZCTEOSA-N 440.350 4.902 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@@H]21)c1ccc(F)c(F)c1 1312538514 ZWHXZJJYRMPXHZ-QRKUABHPSA-N 433.296 4.982 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1316397540 FJWQNFJRFDESFK-OXQOHEQNSA-N 429.634 4.848 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2ccccc2)C1 1321456949 HDBKASSPAMBRTL-CTNGQTDRSA-N 436.531 4.581 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 1351219994 DGYIUBJCWSXFMG-UWVGGRQHSA-N 429.158 4.524 30 10 IJEE COc1cccc2c1OC[C@H](NC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)C2 1352698625 FIMHXAOKDMTGPD-LJQANCHMSA-N 434.879 4.746 30 10 IJEE COc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1Br 1356583131 DCSLFZRSIBZNAR-UHFFFAOYSA-N 427.220 4.534 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 1358267489 LALDMDDIVLOKBR-UHFFFAOYSA-N 425.456 4.511 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 1359151881 FQYVOKMCUKXKCQ-FQEVSTJZSA-N 432.996 4.813 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CCc2cc(C(F)(F)F)ccn2)CC1 1359162865 HNYUUWNVEYDEOA-UHFFFAOYSA-N 443.473 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1359185444 WYSXITCWYRVKQD-UHFFFAOYSA-N 440.979 4.824 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1359188514 PCFGFJUUKSEGGO-PXNSSMCTSA-N 430.980 4.616 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1C(C)(C)C)c1ccccc1 1359195915 UHLUPKLOKYULLP-GOTSBHOMSA-N 447.631 4.985 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCS(=O)CC1 1359198615 VLHTYDCHWXTBLS-UHFFFAOYSA-N 435.018 4.738 30 10 IJEE C=CCCOCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1 1359229173 APQQFICVANCZRW-KRWDZBQOSA-N 434.878 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359234987 JCMRRNVPSAKUQQ-MRXNPFEDSA-N 449.958 4.759 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCO[C@H](C)C1 1359243550 VMNMQFLBJBEVOW-MOPGFXCFSA-N 432.996 4.689 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CCCOC)C1CC1 1359248005 XEMHYEDRQMFUON-UHFFFAOYSA-N 425.758 4.552 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(Br)nn1-c1ncccc1Cl 1360160973 YDWLUWBNADWUOE-UHFFFAOYSA-N 437.769 4.892 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1435026963 CGCFNCYPPYLXDG-HSZRJFAPSA-N 431.536 4.788 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1435899870 LFOVTHZRAUTZCS-UWJYYQICSA-N 444.369 4.742 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl)OCC 1436028125 DAYYKXILKZSOGI-PMACEKPBSA-N 436.980 4.832 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)cc(OC)c1OC 1436131344 REUCWDIWJBJFFM-MRXNPFEDSA-N 434.355 4.772 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc3ccccc3nc2C(=O)OCC)cc1OC 1436990588 PWWCHZBFJXWYRD-QBFSEMIESA-N 432.476 4.637 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccccc1 1455960499 UYELWWGQHDRYOT-LJQANCHMSA-N 428.935 4.904 30 10 IJEE C#CCN(C(=O)CCc1ccc2[nH]ccc2c1)[C@H]1CCOc2ccc(Br)cc21 1456451186 TXBOSNDYGWLHHR-NRFANRHFSA-N 437.337 4.849 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@@H](CO)c1ccccc1I)c1ccccc1 1456982390 DMDBNCPNRUJAGR-XLIONFOSSA-N 449.332 4.581 30 10 IJEE N#Cc1ccc(CN(CC(=O)Nc2nc3c(s2)CCCC3)Cc2cccc(F)c2)cc1 1459674307 GEVOGIXROAPNFE-UHFFFAOYSA-N 434.540 4.674 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCCCC[C@@H]3Cc3ccccc3Cl)cc2C1=O 1460482022 MYHLCUSHFZBDSF-LJQANCHMSA-N 436.939 4.750 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(Cl)c(F)c1 1463003592 ZZXBZJMNGNQKKX-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1cnc2c(Br)csc2c1 1463098225 MXILIMQUBGHRTH-UHFFFAOYSA-N 429.405 4.816 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 1463911803 OXCPQRJIWQZPLF-QGZVFWFLSA-N 440.920 4.923 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC([C@H](CC(=O)OCC)c3ccccc3)CC2)cc1 1464258584 UJFMCZQYRYUNHL-RUZDIDTESA-N 435.564 4.770 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 1466610616 DHBPBYVXGJLERH-SAABIXHNSA-N 444.576 4.941 30 10 IJEE C[C@H](CO[C@@H]1CCOC1)NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1466867671 HNNYSFVJCRNSCP-RDTXWAMCSA-N 431.945 4.678 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)c1ccc(F)c(F)c1 1469857826 YLBLPNDKVTXMST-ARBPTSGCSA-N 445.485 4.773 30 10 IJEE C#C[C@H](NC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1ccc(Br)cc1 1470662591 GNJOCKRCFTYDLK-RBBKRZOGSA-N 434.337 4.740 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc(Br)cc1 1470664079 VLQJTDHHTYJJNG-GOSISDBHSA-N 438.325 4.854 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)Cc1cn(C)c2ccccc12 1470936521 NBLHIMCMZAWZSU-PZJWPPBQSA-N 427.589 4.865 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1472800021 GKMWIURTOOCDRJ-FPOVZHCZSA-N 442.604 4.539 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1Cl 1474906106 SRMBCLDIXVJVTC-UHFFFAOYSA-N 428.779 4.663 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc2ccccc2c1Br)c1ccc(Cl)cc1 1475366225 UTOOKJRPZNFTHA-KRWDZBQOSA-N 434.742 4.909 30 10 IJEE COC(=O)C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 1476211100 BXHQLOBRTBIHRQ-INIZCTEOSA-N 425.794 4.656 30 10 IJEE C#CCN(C(=O)N[C@H]1CCc2ccc(C)cc21)[C@H]1CCOc2ccc(Br)cc21 1478913682 WYFDJYFFYXPPID-SFTDATJTSA-N 439.353 4.913 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCC2(F)F)c1 1504330724 BOWJHTVRVVZZAZ-IBGZPJMESA-N 429.515 4.909 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1507582024 BHUJISPQKQICIU-HXUWFJFHSA-N 446.599 4.522 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nc(C)c(C)s1 1507605464 UOAGUHCKMFLXOG-UHFFFAOYSA-N 430.581 4.544 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[C@H]1CCOC1 1507664796 VOXFYARQBFTDPE-IBGZPJMESA-N 448.567 4.702 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1507754619 OGRUFUJHORWPLK-NRFANRHFSA-N 445.032 4.515 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCc2ccccc21 1507789240 VQYDBSDEIWIXRL-GOSISDBHSA-N 444.402 4.666 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1507853966 HWEPXYOWGKKYSY-UHFFFAOYSA-N 449.521 4.689 30 10 IJEE C=C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](C(CC)CC)N(C)C)CC1 1507882900 OSPSRRHYTKAJRM-XMMPIXPASA-N 434.632 4.960 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCOC[C@H]2CCCO2)CC1 1507892258 NQEOBHYDWSPOKI-OAQYLSRUSA-N 442.629 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](OC)C1 1507918313 AMAHBOCFVNTZKZ-INIZCTEOSA-N 439.387 4.991 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C=C)CC1 1507948055 NNNFLXWURVGQLU-HXUWFJFHSA-N 429.609 4.761 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507977161 XAYWWRITQWQERS-GOSISDBHSA-N 433.984 4.770 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1508003021 QQNXAFSAGIFXKC-DHIUTWEWSA-N 444.627 4.577 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC[C@@H](F)C1 1508034091 SZEBTVKIYRKAHE-PZJWPPBQSA-N 426.511 4.974 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1Cc1ccc(OC)cc1C(F)(F)F 1508041028 GBENDPYZQGSICE-UHFFFAOYSA-N 438.494 4.650 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([C@H]2CC2(F)F)CC1 1508049746 GURYKFPPHSADNE-OAHLLOKOSA-N 441.295 4.904 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCC2=CCc3ccc(OC)cc32)C1 1508123788 KAMUJPAAEJAFDH-JOCHJYFZSA-N 436.600 4.686 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2)CC1 1508151086 UHQHGJQRJJBZJQ-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2CCCCO2)C1 1510289152 BWOZCDKHRVGDFP-REWPJTCUSA-N 427.980 4.612 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)s1 1521229504 AAYNODLKRLTGDH-UHFFFAOYSA-N 438.018 4.924 30 10 IJEE C#CCN(CC#CC)C(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1523675390 SGMDXOSFXBJEEC-UHFFFAOYSA-N 430.360 4.860 30 10 IJEE C[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cc(Br)cc2c1OCC2 1525639201 GRADXLQTDQLHRF-VBKZILBWSA-N 441.325 4.529 30 10 IJEE N#Cc1ccc(NC(=O)[C@H]2[C@H]3c4cc(Br)ccc4C[C@H]32)cc1Br 1525724971 HRFFCYDYROONAM-HYVNUMGLSA-N 432.115 4.608 30 10 IJEE N#Cc1ccc(OCC(=O)OCc2nc(-c3ccccc3)cs2)cc1Br 1527009137 BEFGUWAARQYLBB-UHFFFAOYSA-N 429.295 4.566 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cnn(-c2cc(F)c(OC)cc2F)c1CCC 1527455388 DOHVKROEKRWSPG-UHFFFAOYSA-N 439.506 4.983 30 10 IJEE C#CCOCCC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1530599888 OGEGXYKOQLJJRJ-LJQANCHMSA-N 438.724 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 1532478705 OFQAKNBLYVEMEK-GOTSBHOMSA-N 442.581 4.602 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)c1 1537058886 DFEBFHNTILKFPJ-JOCHJYFZSA-N 438.524 4.951 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@H]1CCCc2ccccc21 1538600139 RKRVYLUDXQKGLY-QPPBQGQZSA-N 434.967 4.732 30 10 IJEE C=CCCCCCN(C)C(=O)c1cccc(Br)c1I 1538733333 LWPFORSSXLJWIL-UHFFFAOYSA-N 436.131 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1nc(C)c(C)s1 1538974940 ZXNNGVNVPCHCAQ-MRXNPFEDSA-N 430.581 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CSCCS1 1538991543 ASYMIOZVTVWLGS-GHTZIAJQSA-N 444.670 4.677 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](OCC=C)C1 1539095280 BGDHYLJBNIAFTA-QHCPKHFHSA-N 429.568 4.547 30 10 IJEE C=CCC1(NC(=O)c2ccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)cc2)CCCC1 1539235450 LFPOCXCZPOMKRB-UHFFFAOYSA-N 435.446 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1539659138 KSMXHXHJJZWOFK-RCZVLFRGSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1539888621 SPJKQQBAVYXFBB-UNMCSNQZSA-N 427.593 4.598 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)c2ccccn2)CC1 1539894489 JBFYPLFXNBABCJ-UHFFFAOYSA-N 431.584 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1539929631 ZARDZHYKWBXIPZ-LAUBAEHRSA-N 428.552 4.602 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1540013638 AQJCVHVOYAAGHN-OAQYLSRUSA-N 438.551 4.617 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1540026886 LHBVFWJUZZQCCH-XXBNENTESA-N 433.556 4.529 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1540088468 DUNCCPCLMSLMQA-WXVAWEFUSA-N 449.595 4.870 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1540146552 HAPIPCQILRCJNE-BGYRXZFFSA-N 445.677 4.619 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCC1 1541104943 COHPQCUFDHRABE-ZWKOTPCHSA-N 445.011 4.542 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1541491960 BBPDSWFNXRYUBK-QPPBQGQZSA-N 441.645 4.582 30 10 IJEE 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1705656065 PZICADBARBHCCB-UHFFFAOYSA-N 427.788 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1cccc(OCC(F)(F)F)c1 1705670898 MWVRWXCJMWLUMS-JOCHJYFZSA-N 444.457 4.828 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCCCC1 1705692268 DRLZCCBTTPZPIP-IAGOWNOFSA-N 425.415 4.874 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)OC1CCCC1 1705697799 NWLPNDUWBMYHEH-SVMVAKDDSA-N 444.551 4.849 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cccs2)CC1 1705766276 UPPDVWPHSRRBNH-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705792849 CZUIDMCMXDXIKG-UXHICEINSA-N 429.008 4.987 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705803078 DVPBAYOENHLYSS-NVXWUHKLSA-N 438.494 4.953 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCOCC1 1705826978 ORIFJOVTDFGFFE-UHFFFAOYSA-N 432.977 4.633 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)c1cccs1)C1CC1 1705858791 WCEAZVFKRMBRCJ-XMMPIXPASA-N 438.597 4.598 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C 1705860016 MEZZCEIOYFCXQA-FCHUYYIVSA-N 437.588 4.645 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)c1ccsc1 1705869801 FSDXDSAPPBKAIE-DEOSSOPVSA-N 434.609 4.896 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1CCC(=O)N1CCCCCC1 1705881050 ZGKDCGRVQFZGHS-UHFFFAOYSA-N 439.604 4.557 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](CC)Oc2cccc(F)c2)C1 1705924558 XDIKMTQGCFOIGQ-FPOVZHCZSA-N 430.568 4.645 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)SC)C1 1705929884 ZQHUEBJTUHAZAC-WIYYLYMNSA-N 444.645 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCC1CCOCC1 1722280562 FSLXAFYNFIKGBP-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)c1cccs1 1722374552 WWQZYCSUSWNHHG-UHFFFAOYSA-N 428.605 4.860 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H](OC)[C@@H](C)CC 1722469676 ISIOIALSVYPWHL-DKZVUGQWSA-N 445.405 4.761 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)C1 1722537046 UDHIOPLSSHUOQK-MRXNPFEDSA-N 439.050 4.758 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1722567043 IUIQPTXSIMGBKO-XUZZJYLKSA-N 438.616 4.875 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1722579145 BFCUJNDLLZWKNT-HXUWFJFHSA-N 436.522 4.823 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1722594814 RCPJGKZEAZLHBY-OALUTQOASA-N 442.489 4.874 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1722619261 WUKDBHQPFUYXMQ-QGZVFWFLSA-N 436.510 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1722660736 FHPRHEIHDDYDLX-WOJBJXKFSA-N 449.574 4.799 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H]2CCC[C@@H]21)C(C)C 1722665154 KNWPUXNQWJNWQJ-YFNKSVMNSA-N 434.632 4.808 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1 1722735937 VNVNOAYPESXPOL-KRWDZBQOSA-N 446.617 4.517 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C)C1CCCCC1 1722868145 CUAKPETZGLHQGX-HXUWFJFHSA-N 447.631 4.601 30 10 IJEE CSC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H](C)C#N)CCC1 1731055805 DQCZSBUXQZJGNT-JKSUJKDBSA-N 434.009 4.953 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C(CC)CC)no1 1740552692 ZKAQGYWTHFTEJM-HNNXBMFYSA-N 427.499 4.545 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1740587153 ZVKCXLVUQMLOGN-DEOSSOPVSA-N 446.599 4.858 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1740671943 SFLNYXAGTYTZPS-FCEWJHQRSA-N 434.462 4.544 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1Cc1nc(C(C)C)cs1 1740734444 FEBUCHYZPAMSAK-HSZRJFAPSA-N 439.560 4.617 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)CCCc1ccccn1 1740780105 VFMUEALBBUOFEK-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1740784865 YXXPYIHQVZFPNZ-VQIMIIECSA-N 431.378 4.965 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccc(C)o1 1740788905 YXTRZPLOGMXNHR-UHFFFAOYSA-N 431.540 4.932 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740827427 WLFHBYHQVSDJAW-KDURUIRLSA-N 442.677 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1CC 1740847971 YVXNAXJIGZJBHH-NQIIRXRSSA-N 448.615 4.902 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1Cc1cc(Br)ccc1OC)C1CC1 1740912515 GZLBXSBKKIPHRO-UHFFFAOYSA-N 445.405 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)SC 1740922900 WICGGWZWVDQLPM-INIZCTEOSA-N 442.610 4.722 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCCN1CCC(C)CC1 1740924049 DHQCFEHVYXPEJE-OAQYLSRUSA-N 429.634 4.506 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2ccccc2[C@H]1C)C(C)C 1740927046 QEOSLWVRBZHSRR-NMVJMZGASA-N 449.643 4.604 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC1(c2ccc(F)cc2)CCOCC1 1740927338 FLRCQVNRXMEDJG-UHFFFAOYSA-N 436.531 4.912 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CC[C@@H](F)C2)cc1OC 1745802920 FKSYZDMWDZHCCY-ZIFCJYIRSA-N 429.540 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN(C(C)C)C1 1749056120 AETAZPOMSDXQGH-YADARESESA-N 426.008 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)C[C@H]1CCCO1 1749123970 KCANLAJTVAYRKU-CDXJDZJCSA-N 448.970 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](CC)OC 1749148643 ALLRCFIBGXLXJL-OAHLLOKOSA-N 425.346 4.674 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](OCCC)CC1 1749255563 CEGVTGJNGUYSJP-SFHVURJKSA-N 434.968 4.500 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1749402509 OXCYVAHPLFVGFF-PKTZIBPZSA-N 429.653 4.824 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1749448412 ZYMHVIKXZIWKDV-CDNPAEQRSA-N 440.588 4.570 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1749473242 BXUKAPIMUZQPKA-ZJBJCVSYSA-N 445.405 4.579 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1cc(Br)cs1 1749478571 GXYSIOTYNDEZHT-UHFFFAOYSA-N 440.370 4.988 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCCO1)C1CC1 1749527590 JPNSTKWVKKRPKV-OAQYLSRUSA-N 437.371 4.888 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCc1nccnc1C 1749538456 JKNCWOMUXCXFPZ-UHFFFAOYSA-N 445.958 4.527 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1749586926 AOFMZRDOQQPGDE-JYFHCDHNSA-N 445.567 4.993 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F 1751086640 FLQHKCZVOTUZED-HNNXBMFYSA-N 448.518 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1c(C)coc1C 1760123393 FFCNTIMMJXFQMG-AWEZNQCLSA-N 433.339 4.880 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOCC2(CC2)C1 1760145871 WTLVVIGWIKKIJH-IBGZPJMESA-N 442.991 4.719 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760150952 PGNJCYDRLZMELA-HNNXBMFYSA-N 426.870 4.560 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1oc(CCC)nc1C 1760227479 FYJNYQIDBSENQW-QGZVFWFLSA-N 441.963 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ncccc1N(C)C 1760332374 ZELPFRFHEIKQIW-UHFFFAOYSA-N 428.943 4.649 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC)[C@@H](C)C1 1760367619 SEYIXLDQKKLYBC-IBGZPJMESA-N 439.007 4.636 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCC2CCC(OC)CC2)CC1 1760402961 AGYHSYMSLNJSMD-UHFFFAOYSA-N 438.616 4.875 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 1760453375 UTAHZKOQWIQACB-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C 1760561894 PTHLJIUQVHFGKP-GJZGRUSLSA-N 439.050 4.857 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1760568421 IMWJHMLIHNLCRT-PZJWPPBQSA-N 426.630 4.671 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)C1 1762492771 DBPYNUGGTWHENS-QHCPKHFHSA-N 435.597 4.802 30 10 IJEE CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(CC)CC 1765135644 BQQDGTMSLBGXOG-FCHUYYIVSA-N 432.572 4.872 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2CCC(F)(F)CC2)c1 1768781290 GYGJJNFUJVOBKA-UHFFFAOYSA-N 429.515 4.909 30 10 IJEE CSC1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)[C@@H](C)CC#N)CC1 1770476163 FUNBLWIGIPHVDA-ZDUSSCGKSA-N 440.400 4.798 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1C 1770548031 CJHNHNXYLCLAMX-BJLQDIEVSA-N 427.618 4.743 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(Cl)c1C 1772523016 KZLMAYKSRYIOAI-JOCHJYFZSA-N 426.351 4.996 30 10 IJEE Cc1ccc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2F)c(Br)c1 1860731196 CITBKIURJJCTMW-QPJJXVBHSA-N 441.094 4.880 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(=O)Nc1ccccc1C#N 1860745250 DJYZWTXQTQVOCL-UHFFFAOYSA-N 447.516 4.658 30 10 IJEE N#Cc1c(O)nc(S[C@H](CCc2ccccc2)C(=O)O)nc1-c1ccccc1Cl 1860825104 MXZOUEZBVPYFQO-QGZVFWFLSA-N 425.897 4.552 30 10 IJEE CC(C)COc1ccccc1C(=O)NCc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 1860908466 HMYWRROIGHMHJU-UHFFFAOYSA-N 427.504 4.775 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 1861381884 KITBRCLFCRANAM-AREMUKBSSA-N 438.616 4.736 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCCn1ccnc1 1862429544 POFOASOIQLEEAG-NRFANRHFSA-N 435.911 4.514 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccccc2Br)cc1 1862540029 DOEPDHGQPOAXBO-LJQANCHMSA-N 428.326 4.998 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCCO)c1 1862543631 LEOKSLMEYISBLL-XMMPIXPASA-N 433.548 4.615 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862556780 DXWGTJLXRMHCPN-HSZRJFAPSA-N 432.520 4.746 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862601139 XHKJNKRVKWJDJF-QHCPKHFHSA-N 434.536 4.543 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCc2ccccc2)c1 1862625406 FNRDHOXXPGSDSX-DEOSSOPVSA-N 441.483 4.545 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862672749 GFFYUGZOLAFWQD-QFIPXVFZSA-N 435.426 4.622 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)c2ccc(OC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863727654 YXQPRHWGALZOEZ-CYBMUJFWSA-N 431.319 4.619 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c[nH]c3c(C)cc(C)cc3c2=O)c1 1866079394 UFXZCEVNSAIMTD-UHFFFAOYSA-N 435.483 4.808 30 10 IJEE N#Cc1cc(Br)c(NC(=O)CSc2ccccc2)c(Br)c1 1866088602 OSQJVWZWHGOEAS-UHFFFAOYSA-N 426.133 4.814 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OC)cc2)n(-c2ccccc2Cl)n1 1870003697 GHZZWVFQXVMEPU-NTCAYCPXSA-N 449.942 4.760 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)c(C)c1 1870142613 HTNXRFZHIQSUEW-UHFFFAOYSA-N 437.503 4.749 30 10 IJEE CCCCCCCOc1cn(CCOCCO)c(CSc2ccc(C)cc2)cc1=O 1870260098 ZDDFJQXEGYJSCY-UHFFFAOYSA-N 433.614 4.807 30 10 IJEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CSc1ccc(C)cc1 1870284255 NTTQNOQPEKWIQV-UHFFFAOYSA-N 448.588 4.672 30 10 IJEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CNc2ccc(CC)cc2)cc1=O 1870813556 PXVBGIGTEFDGRV-RUZDIDTESA-N 447.579 4.596 30 10 IJEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871004683 RXMRSWHPYCXPCS-UHFFFAOYSA-N 444.428 4.873 30 10 IJEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(N(C)C)cc1 1871267034 VWTUCVMFPIMFBK-UHFFFAOYSA-N 429.605 4.648 30 10 IJEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1OC 1871368306 FDYRIHLBNCKFLU-IWIPYMOSSA-N 445.471 4.643 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4OC)cc(C)c3C2=O)c1 1871386693 ICVNOZQCXDHLJQ-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)NCc4ccccc4)c3C)C2=O)cc1 1871420803 KPVVWMUXWUGWNL-IWIPYMOSSA-N 427.500 4.869 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871449039 ROPOEUYZKJTZAU-PGECNJAHSA-N 442.471 4.615 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871498807 QEMFFRKKXNLPSM-UHFFFAOYSA-N 432.547 4.512 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C)CC)S(=O)(=O)CCC 1871826475 UKWLENPKJJZZBF-YJBOKZPZSA-N 434.524 4.677 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 1871940059 ADQNSCZCYLBSMI-CQSZACIVSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)C1CC1 1872160579 ZLTPIYCPKKOYDH-QHCPKHFHSA-N 447.645 4.545 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872403833 XHWGRZRLUJIFPE-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE CCCCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 1872721354 JBTJVKJNQHQKNF-UHFFFAOYSA-N 434.577 4.686 30 10 IJEE Cc1ccccc1/C=N/n1c(CCCOc2ccc3ccccc3c2)nnc1SCCO 1874198914 ZLMAWIMZZFUUJG-NLRVBDNBSA-N 446.576 4.718 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCCO)n1/N=C/c1ccc(Cl)cc1 1874251210 RUQLFVHYZZWHOF-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(OC)cc1OC 1874317909 QKAVUOXOHDMHLR-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccs2)o1 1874423359 IPGVBIUPZABCAJ-VXLYETTFSA-N 430.536 4.622 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccc(F)c1)c1ccccc1 1874468810 YNDKPPMMTHBJKW-MMDHUZEPSA-N 449.511 4.529 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1 1874474509 GYTXFDNCUGDKHF-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)cc(OC)c1O 1874489729 HIMBOZHSMCETDH-WYMPLXKRSA-N 444.532 4.513 30 10 IJEE Fc1cccc(Cl)c1CSc1nnc(C2CC2)n1/N=C/c1ccc2c(c1)OCCO2 1874522608 BKYPBXDBUPNXFV-BHGWPJFGSA-N 444.919 4.894 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OCCO 1874605801 GVIYBPSZPNVCBR-ZZXKWVIFSA-N 426.252 4.568 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OC 1874613997 YDOYLYLAXWRGKU-IZZDOVSWSA-N 432.900 4.975 30 10 IJEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccccc3)ccc2OC)c(OC)c1 1874700928 SVGQXWBZHDOXCT-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)CCCSC)c([N+](=O)[O-])c1 1875142933 ALYOOYQUSHYMKD-VQHVLOKHSA-N 429.494 4.857 30 10 IJEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1 1875170552 DTDABNFGZYWJEB-VQHVLOKHSA-N 432.432 4.731 30 10 IJEE N#Cc1cnc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(Cl)c1 1959290836 YZNZRLDHZYNOOA-UHFFFAOYSA-N 448.910 4.879 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2053044554 QQVJRHXMBGALDG-AOMKIAJQSA-N 448.568 4.901 30 10 IJEE N#Cc1ncc(Br)cc1Nc1ccc(Br)c(Br)c1 2065986716 CPTWQNDFKUWSMV-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CN(C)Cc1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079173467 TWRHJNZMRFZYCQ-UHFFFAOYSA-N 448.180 4.932 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(CCC)[nH]c1Br 2087656406 YHJFCIMEDGOMHO-HIFRSBDPSA-N 429.403 4.635 30 10 IJEE C[C@]1(C(F)F)CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2105089485 UMXATZDGIPPLMC-LLVKDONJSA-N 437.080 4.946 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151264768 BVURRIFOSKSLDO-QEIWAGNOSA-N 446.444 4.613 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)c1scc(Cl)c1Cl 2157017779 YGJLHMXCZVFANM-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(Br)cc(F)c3C#N)C(C)(C)[C@H]2C1 2174807659 FHVFQSGSDHAMDQ-DOMZBBRYSA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](Nc2cc(Br)cc(F)c2C#N)C12CCC2 2175035999 FRCNRMQJCUSODN-SJCJKPOMSA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C#N)C[C@H]1CC(F)(F)F 2176102345 PRFZKTKIASDIOI-GFCCVEGCSA-N 448.283 4.699 30 10 IJEE CCc1ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c(Br)c1 2180912590 PGIKNIWBDJDQFV-QGZVFWFLSA-N 438.366 4.927 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)Nc2ccc(Br)cc2C#N)CC1 2181107503 JBBDLHXIJRVWTQ-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE C[C@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CN1C(=O)OC(C)(C)C 2181115196 RKUCWHQGSXLOCT-DVOMOZLQSA-N 436.350 4.541 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181134744 KAHCRHKFKIUUCL-CXAGYDPISA-N 436.350 4.685 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#Cc1cccc(Cl)c1 2212453065 PCVNOGCVMUSTMJ-BULFRSBZSA-N 428.960 4.517 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@H]1CCCN1C(=O)OC(C)(C)C 2235718227 CZBNDKCWRFKGIW-RTBURBONSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]1C 2235718716 DXZJOAKOYQWWDN-PERKRYKHSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@@H](N)C#Cc1ccccc1Br 2235720000 GZSJRQCJLBJQMK-HKUYNNGSSA-N 447.398 4.724 30 10 IJEE CN(Cc1ccccc1I)c1ccc(C#N)c(Br)c1 2265528084 BQBBDTMAYIPZTH-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CCN(Cc1ccccc1NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267097907 UBUOPCFAYKWRCK-QZTJIDSGSA-N 444.381 4.864 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 2268653974 UBPBXNDUMGBIQH-UHFFFAOYSA-N 442.365 4.827 30 10 IJEE CC1(C)OB(c2cnc(Oc3cc(Br)ccc3Cl)c(F)c2)OC1(C)C 2269012524 VYJBRCSMVQSTGG-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)CCN(CC(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2294745146 PGSPKBXIYNNIAK-UHFFFAOYSA-N 425.220 4.652 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C 2296224414 JSKQCQMBBLHJQL-NSISKUIASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296284260 OWHOVAGIIQTECW-WGQQHEPDSA-N 433.390 4.602 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2cccc(Br)c2)cn1 2296284539 RSKMCWMMYIPRTJ-SFHVURJKSA-N 430.346 4.657 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@H](N)C#Cc1ccc(Br)cc1)C2 2296309387 VHLABDMKUSVWMQ-IAPKMXHRSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2ccc(Br)cc2)C2(CCCC2)C1 2296309899 BVBMACKDPGZEGI-RTBURBONSA-N 433.390 4.555 30 10 IJEE COc1ccc(COc2ccc3c(c2)OC(=Cc2cc(OC)c(OC)c(OC)c2)C3=O)cc1 2296844924 VQCVSJOPIZUMOC-UHFFFAOYSA-N 448.471 4.916 30 10 IJEE CCCN[C@H](C#CC1(SC)CCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299652407 VPCQEYVMWHFNHV-FGZHOGPDSA-N 446.657 4.754 30 10 IJEE COc1cc(C=C2SC(=Nc3ccccn3)N(c3ccccc3)C2=O)cc(OC)c1O 2314541582 OCNLOTNVOXTBMZ-UHFFFAOYSA-N 433.489 4.613 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2N=Cc2cccc(Cl)c2)cc1 2320956384 AITOXFHIFWBZTK-UHFFFAOYSA-N 427.961 4.669 30 10 IJEE CCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccc2ccccc12 2321028696 AVHHNJFRFDDSIV-UHFFFAOYSA-N 440.532 4.817 30 10 IJEE N=C(N)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2321692857 ALTADWAODUMQJW-UHFFFAOYSA-N 444.926 4.589 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(C(C)C)C3 2322070127 UWMFLVUYVUEVMY-UHFFFAOYSA-N 444.325 4.943 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1OC 2322210923 CFVNOUKVPSQCOE-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCCN1COc2c(cc3c(c2C)OC(=Cc2cc(Br)ccc2OC)C3=O)C1 2322346897 NOLJQZNRBPCQBY-UHFFFAOYSA-N 444.325 4.944 30 10 IJEE C#CCN(Cc1sc(Cl)cc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 2322535346 ODKLGNWXOWOFHG-UHFFFAOYSA-N 447.826 4.999 30 10 IJEE Cc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2323187041 XPPQENHSJGPSKZ-UHFFFAOYSA-N 429.472 4.680 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 2323767396 QDFPWEWRZHYUEG-UHFFFAOYSA-N 447.871 4.875 30 10 IJEE COC(=O)c1sc(NN=Cc2ccc(OC)c(OC(C)C)c2)nc1-c1ccccc1 2323874029 GFUALSJSNRFCNF-UHFFFAOYSA-N 425.510 4.839 30 10 IJEE CCCOc1ccc(C=NNC(=S)NCc2cccc(C(F)(F)F)c2)cc1OC 2330452834 ZEEJNIVFXONEAE-UHFFFAOYSA-N 425.476 4.501 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccn2)c1 2331018266 OFHVSJYYEIVSTF-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(F)cc2)c1 2331037149 KXMNEISRMFBMCI-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331081715 ISAWAULAQZPYSF-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2F)cc1 2331500867 IPJCZWRCIRITMB-UHFFFAOYSA-N 429.452 4.907 30 10 IJEE Cc1cc(Br)c(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Cl 2342486219 SSBJBSMWSSGIRB-LBPRGKRZSA-N 428.563 4.719 30 10 IJEE C[C@H](SCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)[C@@H]1CCCO1 2349807599 IYNHTCMIYGWUBK-GUYCJALGSA-N 427.213 4.549 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2364616433 AGWHPHKOCJIPKT-HKUYNNGSSA-N 439.394 4.805 30 10 IJEE CC1(C)OB(c2ccc(N[C@@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@@H]43)c(C#N)c2)OC1(C)C 2364744797 CKLYJUGMFXMRHJ-PJGWKRMOSA-N 444.384 4.653 30 10 IJEE CN[C@@H](C#C[C@@H]1CC1(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2365083204 OPWUPYYULQEVMG-NZSAHSFTSA-N 435.406 4.522 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)C2 2370319769 IPHQJBSTGIWNJO-YUXAGFNASA-N 433.390 4.616 30 10 IJEE N#Cc1cc(COCc2ccc(I)c(Br)c2)ccc1F 2377640298 QOIBGCBCZAXMST-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE CC1(C)C[C@](Nc2ccc(C#N)c(Br)c2)(C(=O)O)[C@H]1OCc1ccccc1 2378739206 GNHXYSATHSDUKL-GHTZIAJQSA-N 429.314 4.571 30 10 IJEE CC1(C)SC(=S)N(N=Cc2c[nH]c3ccccc23)[C@H]1N(O)C(=O)Nc1ccccc1 1786333 IESPFPXQTHMWEY-SFHVURJKSA-N 439.566 4.864 30 10 IJEE O=C1N=C(NN=Cc2ccc3ncccc3c2)S[C@@H]1Cc1ccc(SC(F)F)cc1 6189695 NBFZUUASNXTXDF-GOSISDBHSA-N 442.516 4.714 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041064 SSWWZFIWQOIUHW-UHFFFAOYSA-N 448.544 4.836 30 10 IJEE Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814905 GGIHENRQUVQILX-KOEQRZSOSA-N 449.423 4.809 30 10 IJEE C=CCNC(=O)c1cc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2oc1=O 40891424 BRZLEROKEDAZHY-UHFFFAOYSA-N 425.440 4.595 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@@H]2c1ccc2c(c1)OCCCO2 72460141 LLNKYGNYQPMIAQ-HSZRJFAPSA-N 442.519 4.765 30 10 IJEE CCOc1ccccc1/N=C(\O)N1CCN(Cc2nc(-c3ccc(C)cc3)oc2C)CC1 82050532 AJAJMKSYPRBEKM-UHFFFAOYSA-N 434.540 4.720 30 10 IJEE COC(=O)c1sc(N/N=C\c2cc(Br)ccc2OC)nc1-c1ccccc1 169940441 LERUYCLZNIQXDJ-NHDPSOOVSA-N 446.326 4.814 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953756 UQNBQZOSICDWCE-QHCPKHFHSA-N 430.479 4.983 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 170044759 SYBHWOKYUIQJFR-WMZHIEFXSA-N 431.463 4.736 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(C(C)C)cc1 170066706 NOCSCBBBFMKVMG-GBXCKJPGSA-N 449.547 4.884 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170082473 SJOGVQWHKKDHFU-JOCHJYFZSA-N 446.409 4.935 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170117125 BBAQYOMSHRULBM-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)c1 170133363 IBNKBEJHGWQHJC-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)c1 170163393 GCWSEJGCNCRGIX-NRFANRHFSA-N 434.517 4.709 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)cc1 170175939 PUIMJNWQNGAGBG-QHCPKHFHSA-N 439.471 4.523 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1C 170188271 PXAVNKKLRSNEPL-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1cccc2ccccc12 170221051 WCZXACSWWBZWQV-QHCPKHFHSA-N 431.488 4.845 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccco2)cc1C 170288119 ZMRZZAXHQPDEKH-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(C)o2)c1 170297640 RWMWNPWPMMUNKU-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170338113 PFMGGAGQZFQGKO-HXUWFJFHSA-N 440.471 4.875 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364587 GUMMHLOYUDMGSH-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 170365228 MTLUKDUBZMZLBM-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@H]1c1ccccn1 170478887 GSRJPAIDWAASHK-INIZCTEOSA-N 431.876 4.609 30 10 IJEE N#Cc1cnc2ccc(OC(F)F)cc2c1NCC1CCN(C(=O)c2ccccc2)CC1 301336087 CEFBWGWGBGVQQI-UHFFFAOYSA-N 436.462 4.672 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 441198086 BRWGRNXBMSAJJA-OXQOHEQNSA-N 425.529 4.912 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 460958356 OGKYAJVHYCRVBY-YKSBVNFPSA-N 446.551 4.889 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 508904354 SYBMESLIQBTOQU-HKUYNNGSSA-N 426.952 4.604 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccccc1C 519192882 VLJLOZBMFXBBSH-KRWDZBQOSA-N 444.564 4.949 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)c1 526491376 URSDQESZVQYKFG-XMMPIXPASA-N 426.472 4.941 30 10 IJEE COc1c(Cl)cc(/C=N\n2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 526828143 APMZBCSLHIVKOG-WNFQYIGGSA-N 438.296 4.676 30 10 IJEE CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](C)Cc1ccc(OC)cc1 561403601 GJFBVUVTUMLKAI-KRWDZBQOSA-N 425.598 4.789 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)s2)cc1 610168297 TVKCJZWUYJLETK-GDBMZVCRSA-N 428.489 4.722 30 10 IJEE COC(=O)C(C)(C)[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 610804283 UWMGUKRPOOLMNX-HXUWFJFHSA-N 448.548 4.668 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@]3(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698493995 RZLHRZYDLMQCPF-RTYRMLGFSA-N 439.556 4.966 30 10 IJEE C[C@H](NC(=O)[C@@H](C)ON=C(N)c1cccnc1Oc1ccccc1)c1cc2ccccc2o1 749790529 DESXAPHWMQMASU-DLBZAZTESA-N 444.491 4.523 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3sc(Br)cc3[N+](=O)[O-])c2)s1 770514094 HXMQBGFAGIJVHV-UHFFFAOYSA-N 448.323 4.949 30 10 IJEE N#CCOc1ccc(Cl)cc1CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 773915258 BJDLENZZUHCQFL-UHFFFAOYSA-N 440.849 4.936 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)Cc1csc(-c2cc(Br)cs2)n1 784627446 MFKHIZRZXPXNJP-QGZVFWFLSA-N 430.389 4.949 30 10 IJEE FC(F)(F)OCC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1 794511828 JSUIOTYFHHDPJS-UHFFFAOYSA-N 441.335 4.910 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1=S 794653867 BEEKKGWJBXLPIH-RDJZCZTQSA-N 426.508 4.718 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)cc1 1084397164 HXTYSNTZGZIQAZ-HNNXBMFYSA-N 438.557 4.591 30 10 IJEE N#CC1(CC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CCCCC1 1124897359 FDJHHCYNYXSQLF-UHFFFAOYSA-N 430.596 4.807 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)C1CCCCC1 1125642284 LRBSRDQTUXFUGJ-UHFFFAOYSA-N 426.586 4.930 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)CCCN1C(=O)OC(C)(C)C 1127499091 YYWLHWKBEVHDJR-HSZRJFAPSA-N 428.508 4.604 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1128003702 WWTWHQIIPYUGKL-FXAWDEMLSA-N 449.469 4.662 30 10 IJEE N#Cc1cccc(C2(NC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)CC2)c1 1128805462 DGUBFVITKCJNCW-UHFFFAOYSA-N 434.293 4.927 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 1130905389 YNDQDCMRKIMYIT-XXBNENTESA-N 426.582 4.767 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCCC[C@H]2C(F)(F)F)nnc1-c1ccco1 1133877712 KPNVAZUNJIJUPF-HNNXBMFYSA-N 428.480 4.540 30 10 IJEE Cc1c(C(=O)NCc2cc(Br)c3c(c2)OCCO3)sc2ccc(C#N)cc12 1136442793 DOQXHUKJPCTVJV-UHFFFAOYSA-N 443.322 4.545 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)OC(C)(C)C 1136498159 HRFSLFWLHATRKO-QGZVFWFLSA-N 430.545 4.784 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1 1137843323 BJIBCWGABXNNBF-XMMPIXPASA-N 430.479 4.903 30 10 IJEE C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1141708668 PWDZMZMWRMAVSC-NZQKXSOJSA-N 433.017 4.846 30 10 IJEE C[C@H](c1ccccc1F)[C@H](O)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1141718727 HVLXGOCWQOWMEQ-HWPZZCPQSA-N 439.327 4.889 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)c3coc(Sc4ncccn4)n3)c2)cc1 1141816798 FEBQGYNXHPETPS-UHFFFAOYSA-N 443.488 4.513 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 1142866270 KEWHATGMZKHYLH-UHFFFAOYSA-N 448.588 4.975 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 1144710210 AHKMHULAWIERFN-GOSISDBHSA-N 438.934 4.845 30 10 IJEE C=CCCC[C@H](C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccccc1 1157631687 XLYBISMQQAVFGB-WNCULLNHSA-N 445.563 4.668 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc([C@H](O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1171649479 KOVGCKFJNWBHGR-OXJNMPFZSA-N 428.451 4.567 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1ccc(I)c(C)c1 1178601390 QAFGJCSZTFNYEI-UHFFFAOYSA-N 425.697 4.555 30 10 IJEE C=CCn1c(SCc2nc(C(C)(C)C)n[nH]2)nc2sc3c(c2c1=O)CCCCC3 1187972066 GFCFDZHYRYRUCD-UHFFFAOYSA-N 429.615 4.621 30 10 IJEE C=CCn1c(SCc2noc(C3CCC3)n2)nnc1-c1ccc(Br)cc1 1188291930 NVXSQUMINGJQDK-UHFFFAOYSA-N 432.347 4.836 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccc(NC(=O)OC)c2)cc1OCC 1202356566 FISNMDNIRJGZHB-UHFFFAOYSA-N 449.345 4.881 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c(C(F)(F)F)c1 1204207327 IAHXHVQRWLVCKK-UHFFFAOYSA-N 433.308 4.806 30 10 IJEE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN[C@@H](CC#N)C(F)(F)F)cs1 1207611439 IBHCGFKTQPLWQZ-AWEZNQCLSA-N 436.381 4.781 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc(Cl)cc1F 1222666454 NPNFUDWCQGBDLH-SBUREZEXSA-N 427.951 4.885 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 1251831399 WVJHJCXZUZORBD-UYAOXDASSA-N 425.960 4.619 30 10 IJEE C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1C#N 1265900937 BHAOBSFERRCTKI-JTQLQIEISA-N 440.110 4.583 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286317468 PWFAQDONFKCZLD-NOZRDPDXSA-N 433.644 4.936 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1286343552 LCMMKPFXOVUDOA-IBGZPJMESA-N 436.581 4.614 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCC1(F)F 1286399581 JMGHEMKAZXWKBC-ROUUACIJSA-N 446.929 4.970 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC[C@H](C)N1CCCCC1 1286420823 SUSGFZMJGKFDPC-ZCYQVOJMSA-N 431.628 4.547 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](OCC(C)C)C1 1286530530 AVQPXUBPOPXTKM-KRWDZBQOSA-N 439.785 4.758 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1286607905 LQLCSWHZKIILRM-JOCHJYFZSA-N 439.648 4.560 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCN1CCCCCC1 1286749357 QBKHXZLJYPEDCL-OAQYLSRUSA-N 429.634 4.650 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1ccc(C)nc1 1286762116 AQXPLHWRRQTVPR-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)c(F)c1 1286764543 SEFTUGPVDSKYGM-NRFANRHFSA-N 428.483 4.674 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCOC2)c1C 1289103616 GYSHMXMHIQZZIK-IRLDBZIGSA-N 437.588 4.592 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@](C)(O)CCC(C)C)cc1 1289867287 CEUAQOGNEUHUOC-XMMPIXPASA-N 441.645 4.806 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCSC[C@@H]3c3ccc(Cl)cc3)n[nH]2)c1C 1293282812 LNHKFXRCKLWWEH-HXUWFJFHSA-N 441.988 4.660 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1294685487 BRNLJCUZAYTPFC-IEBWSBKVSA-N 447.645 4.978 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccsc1Br 1300281565 KFDYURBJYGJYNN-CQSZACIVSA-N 429.387 4.838 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](C)Cc2cccs2)CC1 1300683075 LEGNPEGSOJWKEC-URXFXBBRSA-N 447.652 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1C(C)C 1300868366 DELYNOXILOAONG-LZQZEXGQSA-N 448.409 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300872281 APLDHIHNKQQBFG-ZLNRFVROSA-N 449.599 4.582 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1301170534 ZFYXVICUHMEXKI-UHFFFAOYSA-N 439.604 4.897 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1301186418 YCQDZAMHZPRAAQ-UHFFFAOYSA-N 430.600 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H](CC)N1CCCC1 1301351036 HFXVEETUARQZKI-QFIPXVFZSA-N 434.563 4.546 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1nc2c(s1)CCCC2 1302845808 BPCGXLNWKQTBPJ-UHFFFAOYSA-N 434.613 4.563 30 10 IJEE COC(=O)[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(C(F)(F)F)cc1 1308964486 CTQMFXKILHZVSZ-MRXNPFEDSA-N 439.327 4.790 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1C#N 1310458474 HCYZYNVJCAWPFZ-KRWDZBQOSA-N 441.919 4.571 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Br)c(F)c1F)c1ccc(Cl)cc1F 1312942215 JXOVEPDNRJGBGP-CQSZACIVSA-N 431.639 4.694 30 10 IJEE CCOC(=O)CN(CCc1ccccc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1352756786 GTSHKBPWEVTIFN-UHFFFAOYSA-N 428.488 4.599 30 10 IJEE C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2)C[C@@H](C)O1 1353138393 BWXSQQAKNNDKRT-HDICACEKSA-N 428.492 4.611 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCc2ccc(F)c(Br)c2)cc1OC 1356285009 JXRDTGPBCNXTQL-TWGQIWQCSA-N 434.305 4.534 30 10 IJEE C=CCC[C@H](NC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1ccc(C(F)(F)F)cc1 1357298354 VEPIUAHXOKOGNS-HNNXBMFYSA-N 446.878 4.595 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@]1(C)Cc2ccc(C)cc2C(=O)O1 1357804129 RBLXFWMSUAPNTF-QFIPXVFZSA-N 446.316 4.583 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)CCOC(C)(C)C 1358908984 PZUHLVLNZYYEQA-UHFFFAOYSA-N 433.394 4.762 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(C)s1 1358970758 WYGKHMWDOXKHLM-UHFFFAOYSA-N 439.588 4.844 30 10 IJEE C#CCSCCn1c(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)nnc1C(C)(C)C 1359061635 HUDXGBDZIUQWBI-RTWAWAEBSA-N 426.630 4.546 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1359116696 VBRZNBABQMQYDZ-JOCHJYFZSA-N 437.519 4.907 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC#N)CC1 1359128270 OYMQKNDXUHTBNF-SFHVURJKSA-N 439.629 4.854 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2csc(CC)n2)CC1 1359181656 CDHREDBMNJGGES-UYAOXDASSA-N 429.634 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1359190217 IPRUURZZIDCSJZ-DEOSSOPVSA-N 445.611 4.704 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC1(CC)CCCC1 1359259989 OSDGSWLHNPFHMW-UHFFFAOYSA-N 439.579 4.816 30 10 IJEE Cc1ccc(-c2cccc(CNC(=O)COc3cccc(Br)c3C#N)c2)cc1 1435555915 DFNQKLUQZBIVQR-UHFFFAOYSA-N 435.321 4.991 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 1436641498 QRKRHOJRVBARNX-ZDUSSCGKSA-N 449.732 4.659 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc3ccc(Br)cc3c(=O)o2)cc1 1459025377 UXPLWEZGDSFSRP-UHFFFAOYSA-N 429.291 4.638 30 10 IJEE C#CCCCCCC(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1462971901 DTZXKWFGUIVSRZ-NHCUHLMSSA-N 440.584 4.727 30 10 IJEE Cc1nc2ccccn2c1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1471550692 BGCFTZHAUTUNTH-UHFFFAOYSA-N 427.483 4.566 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccccc1OCc1cccc(Br)c1)C(=O)OC 1471893090 GXZYBTSNSQWSQM-IBGZPJMESA-N 446.341 4.656 30 10 IJEE C#CCN(c1ncc(Br)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1472696140 FAVWQXBCJGRWLP-OAHLLOKOSA-N 440.110 4.709 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1474823306 QPEGDWRMJNXBHH-UHFFFAOYSA-N 437.561 4.890 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@]12CCCO2 1476017123 FGWBFDMMNGTCRU-XPNTWCBSSA-N 441.915 4.852 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H](C3CCOCC3)C2)cc1 1476041891 RNHPGOBSJKLSRG-JOCHJYFZSA-N 425.573 4.561 30 10 IJEE Cc1nc2ccccc2n1CCn1c(CC(C)(C)C)nnc1N(CCC#N)CCC(C)C 1492694284 HGWQIPKTLSKLGB-UHFFFAOYSA-N 435.620 4.991 30 10 IJEE Cc1noc(C)c1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(C#N)CC1 1493050308 HJSPMSIVTAWMLA-UHFFFAOYSA-N 448.571 4.763 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507546280 PWHAWEVFUKFCTR-CKJXQJPGSA-N 449.382 4.603 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCCCO1 1507557939 PDISTJQXUAXRFV-AZUAARDMSA-N 426.630 4.940 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC1CCOCC1 1507663664 HWXPOWSXWCHABQ-UHFFFAOYSA-N 445.394 4.922 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1507797983 TZPTYGHVULPBFG-YZLZLFLDSA-N 445.405 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2cccc(C)c2C)CC1 1507803885 HMSJWCOVYVNBJZ-KWOQKUFVSA-N 437.632 4.716 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1C(C)(C)C 1507811228 OUBQOURWCQVHCW-GHTZIAJQSA-N 439.560 4.634 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@]2(CC=CCC2)C1 1507919994 IZIZAHWATHQYEY-STWLZBDKSA-N 428.621 4.931 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1507943512 ZFAZGTKRDKVWOV-KGLIPLIRSA-N 425.396 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@@H](O)C1 1508012324 VTEFBVTXZFMUSB-PKOBYXMFSA-N 445.405 4.746 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCCCC2)CCO1 1512013224 ARSXNWKKMNYVCH-UXHICEINSA-N 437.588 4.703 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1512805769 FSDURKVTDZCPJE-QZTJIDSGSA-N 440.592 4.555 30 10 IJEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1 1517214160 GKABAIHJQORMFN-IBGZPJMESA-N 429.515 4.791 30 10 IJEE Cc1ccc(Oc2ccc(OCC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2)cc1 1520902937 HMVWBABVIFOVHS-UHFFFAOYSA-N 443.547 4.628 30 10 IJEE C=CCC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CCCC1 1521315940 IJLLAIDNUZDBNB-UHFFFAOYSA-N 439.021 4.771 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)c1ccc(Br)s1)c1ccc(Br)cc1 1525054425 NCJIUTJFFBQFEH-MFKMUULPSA-N 427.161 4.867 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 1526776985 IAZYAOSRXOSABK-SMDDNHRTSA-N 436.726 4.749 30 10 IJEE C=CCc1ccc(OCC(=O)O[C@@H](C)c2ccc(OC)cc2Br)c(OC)c1 1526997908 KHXLVTKEBQECBY-AWEZNQCLSA-N 435.314 4.878 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)c1ccccc1 1530134917 XLCYWXMDDZWDEL-OAQYLSRUSA-N 449.293 4.898 30 10 IJEE C=CCN(C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)c1nc(-c2ccccc2)cs1 1530619862 UKYAAADXEPHIQB-UHFFFAOYSA-N 437.477 4.712 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1 1533922128 OLUYGWLKMUUBIA-UHFFFAOYSA-N 432.451 4.741 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCO[C@@H](C)C1 1539094146 LWSQGEIAVAENBX-RBUKOAKNSA-N 430.980 4.717 30 10 IJEE C=C(C)COCCn1c(N(C)Cc2scnc2C)nnc1C1(c2ccccc2)CCC1 1539758733 LWCVQOCRNINEKE-UHFFFAOYSA-N 437.613 4.742 30 10 IJEE C=C(Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC(N)=O)c1ccccc1 1539764967 BQSVKHLPUCMASQ-AEFFLSMTSA-N 449.624 4.545 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1539765244 DWRYGIIOLLJCQW-UHFFFAOYSA-N 437.975 4.960 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](CC(C)C)N(C)C)CC1 1539855891 LQRNZGDHGHFCAC-QFIPXVFZSA-N 425.621 4.607 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCO[C@@H](C)C2)CC1 1539881581 BIOXTBPXJDJWNB-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](OC)[C@H](OC)C1 1539906343 MJOTZEGBRYFIEU-KDURUIRLSA-N 444.645 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1539920367 CSGYWLNCCDEUQP-UHFFFAOYSA-N 430.959 4.634 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cc(C)cs1 1539954438 YRHFGWIUBGHXEF-UHFFFAOYSA-N 444.626 4.711 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1539968613 XXUJUNBTXUOKRF-UHFFFAOYSA-N 434.506 4.881 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1540006609 FIVIZGCTRJAGAP-RDGATRHJSA-N 444.627 4.719 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1540088371 JCVGWFXIWBCSFO-HOTGVXAUSA-N 426.458 4.987 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1540186287 BHTKJCGEYSGSMY-KNKQGSTJSA-N 428.577 4.551 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1540866752 YXUNBNUGKONMNS-QOKNQOGYSA-N 448.398 4.569 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1 1540880491 IGROCVDYFSFPDV-KRWDZBQOSA-N 449.382 4.685 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[C@@H]21 1540911519 ULRKGRCULZQMIN-WBVHZDCISA-N 449.418 4.624 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Cl)s1 1540919109 GOQQXFKBTGBTAP-UHFFFAOYSA-N 440.063 4.904 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCOC[C@H]1C 1541512929 AZAKQAVCKLFFGY-UXHICEINSA-N 434.588 4.865 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2Cc2noc3c2CCCC3)cc1 1542502115 DDMTXEUKKKBYCI-QGZVFWFLSA-N 436.585 4.532 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2c3ccccc3CC[C@@H]2CN(C)C)s1 1544479065 AFOIAMAXXRXHMV-QGZVFWFLSA-N 436.046 4.748 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 1544802745 JLOADWSORGSFQE-UHFFFAOYSA-N 448.588 4.975 30 10 IJEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CC1 1546703073 FMVAOGKTLQJNLF-QHCPKHFHSA-N 425.602 4.641 30 10 IJEE C=CCN(CCCN1CCN(c2ccccc2)CC1)Cc1cc(Br)ccc1F 1559518027 IGMHLAAGNAUYCG-UHFFFAOYSA-N 446.408 4.789 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C/C(C)=C/c2ccccc2)cc1 1559747372 ABXOVFFPXALEQP-XDJHFCHBSA-N 442.563 4.948 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 1562435276 CUXGWRKACRPUIA-UHFFFAOYSA-N 446.507 4.775 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)c2C#N)C1 1583845256 ABMAGVVCPOVKMT-GFCCVEGCSA-N 436.986 4.690 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCn1ccnc1C 1587586995 VZADEMFSEPROLQ-ZWKOTPCHSA-N 436.629 4.575 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1587818130 RILHYKTYJWIZDX-QFIPXVFZSA-N 434.540 4.873 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H]1CC 1589008519 VUECHHGGKUMWLL-KGLIPLIRSA-N 439.448 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C)[C@@H](C)CC 1589151224 VCIHAYLTNVNMKH-XLNZFTOWSA-N 444.023 4.794 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1589357554 CRAYBTBYAYYCRL-ROUUACIJSA-N 449.393 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1589547335 UGAAYAZKDVTBIW-LPWHEFQBSA-N 432.971 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H]1CCO[C@@H](C)C1 1589640893 BIDYFAFFEOUEPP-SFTDATJTSA-N 434.588 4.738 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1593666791 YTKWBJUJCJBVRR-OAQYLSRUSA-N 438.616 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1594521516 PZCWALIPXJIXGS-LEWJYISDSA-N 440.636 4.526 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1594535525 SAJFEPCZMNQXMF-GHTZIAJQSA-N 427.568 4.586 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1 1594783787 ITFRMHPYUZKHLC-IRXDYDNUSA-N 437.009 4.606 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCNC(=O)OC(C)(C)C 1594858525 ZYQYWLFEQLPKSQ-MRXNPFEDSA-N 449.983 4.609 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)c1ccccn1 1595085519 WTLRKQAHVNEDJM-JOCHJYFZSA-N 447.583 4.704 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCCc2ccccc2)CC1 1595461224 QFHXGLUQFLMYJY-DHIUTWEWSA-N 438.616 4.611 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(COc2ccc(Cl)cc2)n1CC(F)(F)F 1606966016 CLQXMDCBVKASCX-UHFFFAOYSA-N 429.874 4.839 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1612756053 HDJWGFWGDPDFET-QRQLOZEOSA-N 447.505 4.944 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(Cc3ccccc3OCc3ccccc3)CC2)c1 1616274417 DEHIFZUFBUHZSI-UHFFFAOYSA-N 425.532 4.988 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)CC1 1623032604 YNBVEXBMBAGPOK-UHFFFAOYSA-N 447.535 4.757 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](CC)N1CCc2ccccc2C1 1624379579 BHWLPVLCDQWKKI-FQEVSTJZSA-N 432.486 4.837 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3N(C)Cc3ccccc3)n[nH]2)c1C 1625645768 BNQMMMMDDVELAZ-UHFFFAOYSA-N 440.551 4.965 30 10 IJEE C#CCOc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2O)c1 1627845506 UFGBUOMWBKVXBW-UHFFFAOYSA-N 435.789 4.514 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1628543287 RCYGCDNNDKVWNA-QGZVFWFLSA-N 429.314 4.900 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(SCCOC)cc1)c1ccc(Br)cc1 1631332346 KMFPWSOFNLOALZ-YWZLYKJASA-N 447.398 4.922 30 10 IJEE C#CC[C@H](NC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 1633353224 ZWESPJFKTREWHZ-MHZLTWQESA-N 439.559 4.862 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 1636562436 KXOFBFFGHORAII-ZCNNSNEGSA-N 447.760 4.996 30 10 IJEE CN(CCCCCCNC(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 1640368099 HPXHWNGVTDCUGH-UHFFFAOYSA-N 428.346 4.981 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCCSc3cccc(Cl)c3)nnc12 1643373960 QZTPRUCKJHZEKM-UHFFFAOYSA-N 428.970 4.768 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 1648878392 XWDAPVLMQKNROE-AVRDEDQJSA-N 438.490 4.850 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2)nc2sc3c(c2c1=O)CCCC3 1656067472 QRRRVDGNWWCMQD-UHFFFAOYSA-N 426.563 4.602 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cc1 1658321000 PXYAXBYBHSWSFW-OAQYLSRUSA-N 447.988 4.809 30 10 IJEE C=CCOC[C@@H](NCc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1)C(=O)OC 1659599077 NUUGCANBSHDFNM-GOSISDBHSA-N 428.287 4.759 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Br)cc1 1666013855 LVWMCNOBZHLINY-PMACEKPBSA-N 429.314 4.503 30 10 IJEE C#CCC[C@@H](O)CNC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(OCC)cc1 1667266900 ZQOASLGBUUCWEB-MRXNPFEDSA-N 436.430 4.792 30 10 IJEE COC(=O)c1sc2ccccc2c1CNC(=O)Nc1ccc(C#N)c(Br)c1 1671214203 ALVVFBCRWNKUCX-UHFFFAOYSA-N 444.310 4.644 30 10 IJEE C=C[C@@H](COC)NC(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1671966672 JLIJXNTUOVNFSX-IBGZPJMESA-N 435.362 4.602 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN(c2ccccc2F)C1 1678356478 WUSBIRSLYLVJNJ-OAHLLOKOSA-N 434.309 4.553 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 1683289294 RXNYHACQWBBLSN-VQTJNVASSA-N 437.367 4.562 30 10 IJEE C=CCCC1(CNC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C[C@@H](C)O3)C2)CCCC1 1683985291 WXLWHIWSESMQMR-ATIYNZHBSA-N 425.617 4.588 30 10 IJEE C=CCCC(C)(C)CNC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 1684447018 WAGZZUKQUBMHAL-LGMDPLHJSA-N 435.977 4.668 30 10 IJEE C=CCC[C@H](NC(=O)N1CC[C@]2(CN(Cc3ccccc3)C[C@@H](C)O2)C1)c1ccccc1 1685799370 VGNDDBILAPRDSS-PWMMPXSUSA-N 433.596 4.769 30 10 IJEE C=CCCCCCCCNC(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 1686703585 SNMPRNTWNQHAHG-UHFFFAOYSA-N 429.380 4.849 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1ccccn1 1689919565 RXPIXWZEIMVLEH-UHFFFAOYSA-N 427.508 4.562 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1690155045 DHBMVSIYRZLMJM-GOSISDBHSA-N 444.620 4.848 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N1CCN(CCOCC)[C@H](CC)C1)c1ccccc1 1690324257 MHTJGLQLNGJXEZ-XMMPIXPASA-N 437.632 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1690430403 KEAJXFHFEDHUAF-MJGOQNOKSA-N 431.625 4.887 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1cccs1)N1CCCC1 1692660780 DPZAKYXCFAIJFL-AZUAARDMSA-N 426.634 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)Oc1ccccc1F 1705544845 GHTWIHXRSGDNMQ-DLBZAZTESA-N 438.572 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(C(N)=O)CCCC1 1705710039 HLJBDCYEMJOHIO-QGZVFWFLSA-N 445.995 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@H]1C 1705710514 NDWVMOLITBUVTM-RTBURBONSA-N 432.012 4.958 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1705806399 CWPMIVDUJTWUFL-UHFFFAOYSA-N 439.604 4.901 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705816782 RWAHGDXYTZIOMX-RUZDIDTESA-N 434.588 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCC1CCC(OC)CC1 1705866348 NTWFYPNKONKHNG-GPJFCIFZSA-N 430.618 4.631 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccccc1 1705890233 FVKPHAIHPWQCOE-SFHVURJKSA-N 425.577 4.776 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](c1ccco1)N(C)C 1722282870 RUMWOUTUKZDXNE-IEBWSBKVSA-N 437.613 4.629 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1722312645 HNTBTOIWOWUNBX-HSZRJFAPSA-N 449.986 4.747 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1C(F)(F)C12CCC2 1722355818 PCTSFBASHABRAU-INIZCTEOSA-N 441.309 4.669 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccsc1 1722419810 CLUHXOCQVKFTHF-XMMPIXPASA-N 440.588 4.615 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1C 1722421323 OSWSGCFUSLFPEN-UHFFFAOYSA-N 434.609 4.718 30 10 IJEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722424963 GWKYMYDERVEGRK-DLBZAZTESA-N 445.489 4.806 30 10 IJEE C#CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCSCC1 1722455520 KSWKTADBMRPJPN-UHFFFAOYSA-N 444.626 4.732 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](CCC)C1 1722479410 FLFCEPGTTSKXEW-MRXNPFEDSA-N 431.334 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CC)CCCC1 1722500285 CPGGPPCUZIXHHK-UHFFFAOYSA-N 430.618 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 1722508669 KBUGGYRMKDDNQF-UTKZUKDTSA-N 444.004 4.596 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1722531133 OCNQXHKNGXPZPC-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1Cc1nccn1C(F)F 1722662084 CXYVXVIRSYYMNH-UHFFFAOYSA-N 426.496 4.839 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1CCC(C(F)(F)F)CC1 1722679789 LUDUOKCIPPGBHC-UHFFFAOYSA-N 437.510 4.656 30 10 IJEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722733606 ZCEOPQJZNDOUOE-OAQYLSRUSA-N 437.632 4.681 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCOC(C)(C)C 1722735720 STHWSQZHNAPLRV-UHFFFAOYSA-N 439.629 4.972 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCC1CCOCC1 1731099883 DCXDDCCPJZQWJD-SFHVURJKSA-N 427.618 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCCN1CCC[C@@H](C)C1 1740536093 ZCPFMLBWMHBMPF-HKBOAZHASA-N 441.595 4.527 30 10 IJEE C#CCCCCn1c(N2C[C@@H](C(F)(F)F)O[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1740579409 RHVVUCUPUCETMC-QUCCMNQESA-N 446.517 4.708 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(c2cnn(C)c2)CC1 1740584712 PUJVJRVTDRNLCK-UHFFFAOYSA-N 443.382 4.783 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1 1740756136 NRZUNCTYCKAAGS-XLIONFOSSA-N 427.936 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1740836812 NISQAYQDJWJNLE-NLFFAJNJSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C(F)(F)F)CC1 1740839693 NHYFCTHELOSVGV-GOSISDBHSA-N 436.478 4.782 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCC2)CC1 1740845082 DFCUEWFYNJESNM-UHFFFAOYSA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2Cc2cccs2)nnc1[C@]1(OCC)CCOC1 1740852238 KUWCXOLMRNYQKI-CYFREDJKSA-N 444.645 4.806 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740876585 JPSNUVOLHJBABY-UHFFFAOYSA-N 440.542 4.535 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1740896237 LOQZRJFIEZMRPX-NHCUHLMSSA-N 434.632 4.817 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1c(C)sc(C)c1Br 1740929081 GASUTWLDWSHZNH-UHFFFAOYSA-N 446.418 4.951 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(Br)c1 1740949584 LRVHFMMFBRIPEH-QZTJIDSGSA-N 433.394 4.782 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCS1 1743785280 ABJIGHQPGZVYED-YYWHXJBOSA-N 425.602 4.527 30 10 IJEE CCC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1745272995 FUDPXNDUOIFGEG-QHCPKHFHSA-N 437.588 4.670 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1OCCC1(C)C 1748829065 SINHBDPJELHAJM-SFHVURJKSA-N 438.984 4.701 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1nccs1 1749022099 FCJWZVYBOBJQJD-OAHLLOKOSA-N 448.017 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1749156189 RGVIVVJJHFGYHG-JOCHJYFZSA-N 438.551 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C(C)C)N1CCCC1 1749171523 XHRGRZWJWQYOSD-BHIFYINESA-N 431.669 4.720 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCCC(C)(C)C2)CC1 1749312490 KSNAHTZFSDUTGO-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CC(C)(C)C2)CC1 1749323566 GNSLSPSZIFTACA-UHFFFAOYSA-N 442.007 4.700 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCc2cccc(Br)c2C1 1749396936 KYLCPJJGSAHKIK-UHFFFAOYSA-N 426.362 4.955 30 10 IJEE C=CCCOCCn1c(Nc2ccn(C)n2)nnc1-c1sc2ccccc2c1Cl 1749461593 TZWKGDRYUVOJAP-UHFFFAOYSA-N 428.949 4.883 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCN1CC)C1CC1 1749527849 TYYFZYZGMJVVDQ-JOCHJYFZSA-N 437.632 4.794 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC(c2ncc(C)s2)CC1 1749762005 LLQXXJXXJOSOEM-UHFFFAOYSA-N 445.683 4.999 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760107355 SSEAZNTVZRFIKE-IAGOWNOFSA-N 445.995 4.702 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H](C)CN1CCCCC1 1760298048 TZGSNFWSKIGPAV-WXVAWEFUSA-N 449.643 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCC1(C)C 1760334764 ITXVYNJQAFQUQY-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1760346635 RXCRPXNMUUFLOQ-CQSZACIVSA-N 448.543 4.557 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCN2CCCC2)CC1 1760406285 ZUZLMBZMTVZISZ-UHFFFAOYSA-N 425.646 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccs2)CC1 1760414561 VUHPQFWASPYPLC-UHFFFAOYSA-N 442.658 4.624 30 10 IJEE C=CCCCCCN(C)c1nnc(CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1760418896 AYXVSFJXAQRFNP-IBGZPJMESA-N 431.625 4.813 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnn(C)c1C 1760432174 GOAYZFFTCQFEQM-KRWDZBQOSA-N 428.968 4.716 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC[C@H](O)C1 1760458188 WHJRGSRLYREDPU-HIFRSBDPSA-N 439.785 4.534 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CC)CCC1)C1CC1 1760470440 RXEDLZSMZWBSIF-UHFFFAOYSA-N 427.980 4.597 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ncnn1C(C)(C)C)C1CC1 1760471180 OPOUFHAGFGKTKT-LJQANCHMSA-N 449.603 4.585 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1coc(-c2cccs2)n1 1760495988 CRGULLWFTCIAFA-UHFFFAOYSA-N 438.582 4.577 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC([C@H]3CCCO3)CC2)cc1 1760530150 QVZIEASGHJECQQ-HSZRJFAPSA-N 438.616 4.875 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2ncc(CC)s2)cc1 1764472328 GJHTYXQZOQISHX-DEOSSOPVSA-N 434.613 4.899 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1 1765818832 CTOAWGUIDYOXIG-FQEVSTJZSA-N 441.023 4.993 30 10 IJEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1767325367 AAZNVSNRUMTVDL-VQTJNVASSA-N 427.618 4.742 30 10 IJEE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4ccccc4)n3)c2)C1 1772724358 VZLGRQSLXBAXGQ-KRWDZBQOSA-N 440.594 4.677 30 10 IJEE C=CCOc1cccnc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1858818916 CEAFKTBZTFFDNJ-UHFFFAOYSA-N 428.536 4.586 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)/C=C/c3cccc(F)c3)CC2)c1C#N 1860633202 AULQNPMVRWWXQH-BQYQJAHWSA-N 439.556 4.947 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(O)cc2)cc1 1862389916 QOTKUSUAKAVWFF-HSZRJFAPSA-N 437.536 4.738 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 1862468502 QFJHKLCCHRDHLG-SGTLLEGYSA-N 432.289 4.965 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862469352 LICCVJJTMFEDKM-GOSISDBHSA-N 425.282 4.529 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862556630 BAWCVHNKBNDMJU-DEOSSOPVSA-N 442.515 4.673 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2F)cc1 1862590368 HMHVTFVRZXYWLY-CMJOXMDJSA-N 447.462 4.879 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862593469 IDOVNCOAZAHQGT-OYHNWAKOSA-N 444.443 4.640 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)cc1F 1862639130 RHQGHHVGADWKEU-NRFANRHFSA-N 437.492 4.983 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862695401 DSTKKLSHXCEKOQ-XMMPIXPASA-N 448.563 4.846 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(Cl)cc2)C1=O 1862805049 PCUMQXJSYOWBFS-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1c(F)cccc1Cl 1864191491 MXGLXIATUAIHCM-LJQANCHMSA-N 448.970 4.692 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OCC(C)C)c2)n(-c2ccccc2)n1 1870000858 YTHOOFRHECTYLF-UHFFFAOYSA-N 431.540 4.733 30 10 IJEE C=CCOc1cn(CCCCCO)c(CSc2ccc(Br)cc2)cc1=O 1870245908 JZHHIHRAGCRGRF-UHFFFAOYSA-N 438.387 4.631 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CN(C)C 1870751670 ONINLKJGWPIUTR-UHFFFAOYSA-N 441.616 4.905 30 10 IJEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(Br)cc2)cc1=O 1870809339 XCACSWMSJGIASU-UHFFFAOYSA-N 443.316 4.975 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CNc1cccc(C)c1 1871205026 YGLUDIBSHHESKF-UHFFFAOYSA-N 442.515 4.949 30 10 IJEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(OC)cc1C 1871209834 OVDATOSERORMOO-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 1871344809 XHEXYJYOCILGHK-UCQKPKSFSA-N 428.444 4.606 30 10 IJEE CCOC(=O)CCN(C)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871392776 RUCSGDGLPNMLIF-HMAPJEAMSA-N 437.536 4.825 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)NCc3ccccc3)c2C)C1=O 1871420644 HPJYBZXQYURZFH-IWIPYMOSSA-N 443.499 4.705 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1871979990 HDMJPSNQAMTDJL-JOCHJYFZSA-N 442.487 4.522 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872110754 OIAYSVHMWCXHQH-IIBYNOLFSA-N 445.610 4.850 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCCCC)cc1)c1ccccc1)S(=O)(=O)CC 1872178437 SAKNQKNZRQCJCR-QHCPKHFHSA-N 444.597 4.773 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872510775 DKZCPKSTPDCTHS-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872556889 QOQJPSOCJRLIQL-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C(=O)O[C@@H](C)CC)cc2)[nH]1 1873469833 JSTHVCPOKLZJDN-KRWDZBQOSA-N 442.523 4.534 30 10 IJEE N#Cc1ccc(Nc2nc(N3CCc4ccccc4C3)nc3c2cnn3-c2ccccc2)cc1 1873484129 IHAYZTVJAQMCEI-UHFFFAOYSA-N 443.514 4.993 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(OCC)cc1 1874293838 XLEBOZBYFZXPAP-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(OC)c1OCC 1874355050 ONRLSPRONIJBRV-BUVRLJJBSA-N 440.569 4.787 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(C)cc1 1874359870 CQEJAHVBCVNXNE-YZSQISJMSA-N 449.624 4.523 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccco2)c1 1874426695 VWKYOMMGPZVODK-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2O)cc1C 1874452361 RFUIJDWVNSFXJR-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)c1 1874454205 FXLJIILDHVIHAB-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2)cc1 1874489119 ATEDQMMRQANFNQ-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1sccc1C 1874517981 ULROOVYLPILXFW-WSDLNYQXSA-N 425.583 4.701 30 10 IJEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c([N+](=O)[O-])c2)cc1 1874604959 MNHDFKZUAIZAQM-WEVVVXLNSA-N 437.477 4.527 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)OCC(C)C 1874630840 XKENIPZFHGRVMN-VQHVLOKHSA-N 426.509 4.795 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1 1874658250 AFYUFKSMQXHLJP-XMMPIXPASA-N 434.584 4.657 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)C1CC1 1874697814 BPFZJQFHHBQSNL-RMKNXTFCSA-N 446.253 4.577 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c1 1875144703 LDQLBHCLLUEDSV-DHZHZOJOSA-N 447.443 4.656 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922077475 NYXYKFRLWXVRNR-ZEQKJWHPSA-N 440.584 4.992 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1922082580 IFRKJKDZIOIJLV-UMFSSWHCSA-N 446.632 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CSCCN1C(=O)OC(C)(C)C)NCCC 1922085715 KSKBYBNLOJEMNC-FCHUYYIVSA-N 434.646 4.870 30 10 IJEE C=C(Br)CN(C)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 1985080754 LHQUSKLRZJUNTN-UHFFFAOYSA-N 448.155 4.777 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 1990169361 JMKOFOOZEOFPJT-RTWAWAEBSA-N 434.646 4.869 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(F)c2F)C(C)C)c(I)c1C=NO 2079874243 BHLJJVUIKUUSPV-MRXNPFEDSA-N 447.267 4.690 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)c(F)c1F 2079893392 OQHIKINEXBJRPC-KRWDZBQOSA-N 439.247 4.823 30 10 IJEE Cc1cc(C#N)c(Nc2ccc(Br)c(I)c2)nc1C 2099242032 GREAGNKUPNCCGP-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cc(Br)cc(F)c2C#N)CC1 2107439105 UTMALEQTBKZPGU-CYBMUJFWSA-N 426.330 4.909 30 10 IJEE C=CCN(CC[C@H](Cc1cc(Br)ccc1OC)NCC)C(=O)OC(C)(C)C 2155517247 RZDHXCILVGKFAE-GOSISDBHSA-N 441.410 4.792 30 10 IJEE COCCC1(Nc2cccc(Br)c2C#N)CCN(C(=O)OC(C)(C)C)CC1 2162309804 QRZITILBUWQLQN-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2cc(Br)cc(C#N)c2)[C@@H](C(F)(F)F)C1 2163253493 JITDSQKYORHLRH-DOMZBBRYSA-N 448.283 4.778 30 10 IJEE Cc1ccc([C@H](C#N)C(=O)c2ccc(Br)cc2I)cc1 2207270210 BKJFMVNTUONSNC-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2220069035 XIXPISDKUOTUHH-FGZHOGPDSA-N 441.446 4.863 30 10 IJEE CCCc1ccc(C#C[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1 2223330208 SVFIGTYAPIOVHP-DCEDVJGZSA-N 437.580 4.850 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2229033990 IAWLQIJISUWLOI-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1C(=O)C#Cc1ccccc1Br 2235729922 UGLHJOWJYVAOIS-IBGZPJMESA-N 446.366 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](O)(C#Cc1ccccc1Br)C2 2235736473 YHGIJOQFDDJNPI-QFIPXVFZSA-N 434.374 4.733 30 10 IJEE CCCN[C@@H](C#CC1CCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251410250 ADDCNNASXBEWOJ-BJKOFHAPSA-N 427.633 4.574 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255529560 MAGCNNFRVBMHDS-SFHVURJKSA-N 425.353 4.812 30 10 IJEE C=CCN(CC(=O)c1c(F)c(F)c(Br)c(F)c1F)C(=O)OC(C)(C)C 2256035132 MDAOEABHEZDQLO-UHFFFAOYSA-N 426.204 4.611 30 10 IJEE C=CCCC1([C@H](N)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2266309358 DRUIZQJMYVLIQD-QGZVFWFLSA-N 425.367 4.661 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2ccc(Br)cc2)cs1 2278785736 ZDGSAJIZGMYCAA-MLGOLLRUSA-N 437.359 4.576 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](Nc1ncc(C(C)(F)F)s1)C(F)(F)C(F)(F)F 2279293281 OACFBWWMZJMYJN-ZETCQYMHSA-N 425.370 4.758 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2296217292 SNRANDDYHDJMLB-MAUKXSAKSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C 2296219392 NSOAXIGWEUEPFR-SJORKVTESA-N 445.348 4.669 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2296222122 PDGDNUJMMYHYSG-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C1CC2(CCCN2C(=O)OC(C)(C)C)C1 2296272698 LVOHPDHQVJHVCC-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@H](O)C#Cc2ccc(Br)cc2)C12CCC2 2296285805 FIANTHHDBWVDSY-QXAKKESOSA-N 434.374 4.635 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 2296301229 SBHDJGXRNFMJOT-QFIPXVFZSA-N 446.890 4.925 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2296301811 ZKXHJOGJUPRREW-GCJKJVERSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC=CCC1 2296305246 QWZXIJIKQBPDBN-SXLOBPIMSA-N 433.390 4.638 30 10 IJEE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C)C2=O)cc1 2296545334 IHTLJXFJYXRXST-UHFFFAOYSA-N 433.558 4.935 30 10 IJEE N#Cc1cncc(CSc2cc(I)ccc2Br)c1 2316461629 FYVONEMREFWTJP-UHFFFAOYSA-N 431.096 4.613 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2317338439 OKDRNDOHWMWUDN-XZOQPEGZSA-N 440.628 4.858 30 10 IJEE CCCOc1cccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccccc2CC)c1 2321090501 ZVLOIFWUDSVUJP-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1OCc1ccc(Cl)cc1 2321755915 UPQDPQXWLMAAFH-UHFFFAOYSA-N 442.850 4.709 30 10 IJEE CC(C)Oc1ccc(C=Nn2c(S)nnc2Cc2ccc(Br)cc2)cc1 2322238737 BHPFJKRKQFZTBS-UHFFFAOYSA-N 431.359 4.590 30 10 IJEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2324484172 ICVDKNVWNDMHGC-KRWDZBQOSA-N 428.488 4.975 30 10 IJEE CCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2324879370 QVTUDKLCVNJIDJ-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)o1 2325402144 QWFUWOBVFWZOGQ-UHFFFAOYSA-N 448.427 4.689 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 2325706923 YEPKKJKWOWRSCT-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)C)cc1 2327888384 BRNJHZCEXYSDAD-LJQANCHMSA-N 427.618 4.900 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1C(=O)O 2328744393 HNMYFJYWUWDCOF-UHFFFAOYSA-N 436.537 4.538 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1O 2328790091 LMZZINHTVOFHAU-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1ccncc1 2329159116 YSIWXYZKPHBJJA-UHFFFAOYSA-N 429.549 4.778 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N(CC)CC)nnc2[C@H](C)c2ccccc2)cc1 2330050721 UNQODSUAZCBMNK-LJQANCHMSA-N 449.624 4.835 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330078461 DZXVBBYZEAXECT-OAQYLSRUSA-N 432.605 4.725 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330118879 GFXUDPIOMFTZQE-ZDUSSCGKSA-N 449.363 4.884 30 10 IJEE Oc1nc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccco2)nc2ccccc12 2330281946 FBBNQCQAIXKKGH-UHFFFAOYSA-N 448.552 4.817 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2-c2cccs2)cc1 2330602001 CLNVRYHNIKIEHS-UHFFFAOYSA-N 444.582 4.579 30 10 IJEE CCCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330979776 OETWGILUBQFNFA-HXUWFJFHSA-N 436.537 4.733 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccccc1F)Nc1ccccc1F 2331025594 UJELWMQRQGAVDN-UHFFFAOYSA-N 441.507 4.827 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2)c1 2331051230 KVUDQBWZAZTQDL-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc(Cl)c1 2331364556 KFMHTRJDICNUNC-UHFFFAOYSA-N 445.951 4.981 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2)nnc1C(C)(C)C 2331376584 VTHUMYJXRQDJHX-UHFFFAOYSA-N 437.569 4.506 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1C(C)C 2331669714 INORDQLTVIAEKF-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE COC(=O)c1nc(-c2ccc(C)cc2)oc1NN=Cc1ccc(OC)c(Br)c1 2331937755 XCTCPODKCBDMLB-UHFFFAOYSA-N 444.285 4.654 30 10 IJEE CC[C@@](C)(CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)N(C)Cc1ccccc1 2339299585 KJZNQLWIQJGQAF-SANMLTNESA-N 433.405 4.570 30 10 IJEE O[C@@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)cc1I 2340039178 HICOVQFSAZICTK-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE Cc1cc(OCc2cc(I)ccc2Br)ccc1C#N 2341779592 OAFWUKVGMARSEU-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3ccc(Br)cc3Cl)C2)OC1(C)C 2342480968 GCLIPKMETIGFAV-SFHVURJKSA-N 428.563 4.801 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 2360197779 USILXPOZDHJDDU-RLLQIKCJSA-N 433.390 4.638 30 10 IJEE COCc1ccc(CN[C@@H](C#N)c2sc(Cl)cc2I)s1 2368023949 KNDQOYMPMQIWNN-NSHDSACASA-N 438.743 4.568 30 10 IJEE C=CCc1ccccc1OCCSc1nc(-c2ccccc2Cl)nc2cc(=O)[nH]n12 9640782 GGZZABAUETVZOF-UHFFFAOYSA-N 438.940 4.638 30 10 IJEE CCCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC)cc1)C2 21256185 QRCYNCKSVUQZDA-RXVVDRJESA-N 449.547 4.887 30 10 IJEE Cc1ccc(NC(=O)Nc2ccc(SC3=C(N)C(=O)c4ccccc4C3=O)cc2)cc1 21348705 QVYZRROOQNTCIA-UHFFFAOYSA-N 429.501 4.981 30 10 IJEE Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 28388848 HFYLSLOEFLLJKI-OAHLLOKOSA-N 431.517 4.663 30 10 IJEE CCOc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)NCc1c(C)nn(CC)c1C 32972227 LJAZTYMVXNYOFO-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC)c1 35273051 BMMAOXVCNRDLPE-NRFANRHFSA-N 443.927 4.744 30 10 IJEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1ccco1 54622832 NXVLGFNJMHCTSJ-GOSISDBHSA-N 442.928 4.835 30 10 IJEE CCOC(=O)c1sc(NC(=O)COC(c2ccccc2)c2ccccc2)c(C#N)c1C 58989785 CQDZJAVVQQZPEG-UHFFFAOYSA-N 434.517 4.850 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 102536363 LHZKGAQBJXYDDG-SADKCHQCSA-N 436.439 4.537 30 10 IJEE CCCOc1cccc([C@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 103090464 SIPGXNPIFUCNCD-AGGMBTAESA-N 434.517 4.554 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)c1 108893718 MQADWOYBAUEGHP-UHFFFAOYSA-N 444.506 4.755 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2-c2ccccc2)cc(Br)c1OCC 169911989 BFAYPKBNLAKZRE-MTJSOVHGSA-N 447.358 4.676 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2Cc2cccs2)cc(Cl)c1OC(C)C 169913995 RITSQPRLCWXYGU-NHDPSOOVSA-N 436.990 4.941 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922159 OBYPAPSDMFJXNC-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCN1C(=S)N[C@H](c2cc(Cl)c(O)c(Cl)c2O)C(C(=O)c2ccccc2)=C1C 169931735 SYYDRIYLKNJKNK-MRXNPFEDSA-N 437.348 4.813 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949824 NDJKZBJSLQAXJE-QHCPKHFHSA-N 447.487 4.971 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 169952974 OZSTZPCJLXOKEJ-QHCPKHFHSA-N 430.479 4.983 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccccn1 169997001 UNFVHHJTZYFEGR-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1 170001355 LEDPVGOEHLAQST-OAQYLSRUSA-N 433.895 4.584 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)c1 170018926 BQAAKUQESKYYHZ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(OC)cc1 170116174 NECKDTWZTKHXJP-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccccc1OC(C)C 170151009 HTBHKSHUFVCVHP-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCO2 170154445 ZCMSOEZUXLYEGF-HXUWFJFHSA-N 437.542 4.913 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccnc2)c1 170185849 KZFLNCFOBIDBIC-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170226745 HIBUPCUTPRVJBG-QFIPXVFZSA-N 447.874 4.894 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170238375 QOXGWNOCPJXNMN-JOCHJYFZSA-N 433.410 4.683 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)c1 170259438 IXROKBBVIRLKQT-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1C 170274609 OFKJKRAHPRHOTH-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(C)o1 170304013 UYGVEMQKRZHLCI-QFIPXVFZSA-N 428.444 4.861 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(C)o3)oc12 170307130 OUHNOPBHVWZNFI-FQEVSTJZSA-N 433.416 4.714 30 10 IJEE CC(C)COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2cccs2)cc1 170476681 UPDOXBJXBXQSGU-LJQANCHMSA-N 427.522 4.686 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 407159462 NJAOCSHWVVLZII-HZPDHXFCSA-N 429.403 4.737 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(Oc4cc(C)ccn4)c3)cc2C1=O 460507855 HWFUARUCZNSERS-UHFFFAOYSA-N 427.460 4.525 30 10 IJEE O=C(Nc1cc(F)c(OC(F)F)cc1F)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 491470392 HSJQVZOLDFEJIZ-QMMMGPOBSA-N 440.319 4.720 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 508508141 VQPZBHJFPFBNRR-FXAWDEMLSA-N 431.506 4.603 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)cc2OC)c1 526517553 UOJLSGJWGCRWJS-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526816840 OHUPBZCYNUEIGZ-FMCGGJTJSA-N 446.960 4.694 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(O)c(OC)c1 526817962 JULHLBMJFURATF-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCC(C(=O)N(CC)CC)CC1 558990490 AHODCEDKTMZQIK-UHFFFAOYSA-N 445.611 4.683 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCOC2)cc1 559230040 HIXKHCWMUUEDNF-FQEVSTJZSA-N 437.588 4.537 30 10 IJEE O=C(Cc1ccc(-c2ccccc2)cc1)NCC#CCOc1cccc(Br)c1 585254385 WKGHBWKBTPPIGJ-UHFFFAOYSA-N 434.333 4.857 30 10 IJEE CCOC(=O)c1ccc(-n2c(C)cc(C=NN=c3sc4ccccc4n3C)c2C)cc1 606347216 UEODUVLMEFOMKE-UHFFFAOYSA-N 432.549 4.759 30 10 IJEE C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CC[C@@]2(CCCOC2)C1 685555857 KQBHJXDNWCKCPP-SANMLTNESA-N 441.535 4.946 30 10 IJEE C=C(COCCC)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693641100 UTPPTPNRAXGRQV-ZEQKJWHPSA-N 445.648 4.507 30 10 IJEE N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CCN1C1CC1 732698988 RMDFWNFHQKUJLG-MRXNPFEDSA-N 430.430 4.702 30 10 IJEE Cc1ccc(-n2c(SCc3cc(Cl)ccc3OCC#N)nc3ccccc3c2=O)nc1 735231317 ZKNXCFRBTIIARP-UHFFFAOYSA-N 448.935 4.937 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739597664 BLIYDCZUGAPDEB-QHCPKHFHSA-N 427.529 4.867 30 10 IJEE COc1cc2cc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)[nH]c2c(OC)c1OC 739749137 GDHWQCVADHLXEO-UHFFFAOYSA-N 447.516 4.724 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 744838934 FYEPIAQQFRSLBT-BTYIYWSLSA-N 439.899 4.893 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C2CCCCC2)[nH]n1 758766312 RZSIOXJYLQZVAE-OAHLLOKOSA-N 426.542 4.647 30 10 IJEE N#Cc1ccc(-c2nnc(COC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)o2)cc1 764060840 ZVSUPBQJOKUUMY-CXUHLZMHSA-N 433.773 4.951 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1coc(-c2ccc(C(F)(F)F)cc2)n1 780178911 UULYYUPHRJFKBY-HXUWFJFHSA-N 438.402 4.665 30 10 IJEE N#Cc1ccc([C@@H](O)CN(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)cc1 781347033 NWKSXGMESBVFQA-ZEQRLZLVSA-N 440.465 4.846 30 10 IJEE C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H](c2ccco2)C1 785107131 QFXMZBTUHXQYPD-YFXJRYMSSA-N 427.504 4.873 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 802561270 VBHRGYCOXNLTLN-KRWDZBQOSA-N 439.585 4.687 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(OC)c(OC)c1)c1ccc2c(c1)OCO2 1124211663 UHKYTQCMSCFXND-UHFFFAOYSA-N 447.487 4.844 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1)c1nc(-c2ccccc2)cs1 1124352839 OAQUBTAPIDKGOA-IBGZPJMESA-N 447.560 4.699 30 10 IJEE C=CCC1(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)CCOCC1 1125742947 WAAULZXWHGQFHS-IYBDPMFKSA-N 426.479 4.630 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 1130804440 SWDAOIHNLKVLIE-WMLDXEAASA-N 449.473 4.872 30 10 IJEE C=C(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 1134627146 ZAGNYIQRAQJRDJ-UHFFFAOYSA-N 438.593 4.638 30 10 IJEE CC(=O)N/C(=C\c1cccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1136286028 ZOFURAKTKIOOAO-HAHDFKILSA-N 431.517 4.509 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 1155691240 USPPYKGDIIPWQS-KRWDZBQOSA-N 448.951 4.758 30 10 IJEE C#C[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1 1159634884 SUWOZOBECKPJJW-OAHLLOKOSA-N 425.248 4.631 30 10 IJEE C=CCn1c(SCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Br)cc1 1164621252 LCFSLNBZCRWJPK-QRTARXTBSA-N 432.387 4.991 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1OC 1181717394 GLJQUYPBYWGEEP-HSZRJFAPSA-N 436.980 4.746 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nc2sc(C)c(C)c2c1=O 1188225921 MNBHFDVNHWHXJD-INIZCTEOSA-N 448.997 4.791 30 10 IJEE Cc1cc(C2(NCC(=O)NCc3ccc(C#N)cc3)CCCCC2)ccc1Br 1195203606 BQAMRADEOWDAPZ-UHFFFAOYSA-N 440.385 4.695 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 1198251400 OLTOVLOVADOYSL-QFIPXVFZSA-N 439.581 4.642 30 10 IJEE CN(C)CCc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 1215483942 AYERRBYDZINIQZ-UHFFFAOYSA-N 432.499 4.915 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 1219084603 SLQFPVAGCGKDBN-CYBMUJFWSA-N 443.301 4.947 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC(F)(F)F)ccc1Br)c1ccc(F)cc1 1220231687 NSDHIBFWUMUZAM-AWEZNQCLSA-N 431.183 4.983 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F)c1ccccc1 1224523239 STBBSJPSNCUIGL-VQTJNVASSA-N 431.458 4.595 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1)c1ccc(Cl)cc1 1230488566 AHQCWAKOPVLUKE-RTWAWAEBSA-N 431.964 4.637 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1)c1ccc(Br)cc1 1252458778 MEYISOCSPBVCRH-BHDDXSALSA-N 449.352 4.548 30 10 IJEE Cc1cc(C(=O)N(CCCN2CCCC2)c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 1275454961 AGHYOOWFVFPAIK-UHFFFAOYSA-N 447.970 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1ccsc1)N(CC)CC 1286282573 ODYPMZCPYWHHNN-AVRDEDQJSA-N 437.613 4.556 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1ncc(CC)s1 1286377712 DBJAUUHDSYOHOL-UHFFFAOYSA-N 437.613 4.620 30 10 IJEE C=C(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286598541 PQZYMNHKDZQNNI-BGYRXZFFSA-N 425.577 4.570 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1286603551 GHMWZQPETZHLKG-OAHLLOKOSA-N 439.387 4.848 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@](C)(O)CCC)CC1 1286649513 WSRGDXDBYQCFPB-DEOSSOPVSA-N 447.023 4.959 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286696664 MKMBLLULOOSPMI-IAGOWNOFSA-N 432.410 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCO[C@H]1CCCC[C@@H]1C 1286719620 AFDPVRBGFUIWKI-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1286737462 MZBKWYWXXHWOLJ-SFHVURJKSA-N 438.906 4.978 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@H]1C 1286744536 KTVBDHZLWVIDCF-FHAGJXEFSA-N 442.579 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCCCC1 1286747458 MEJNJLJUKZUOEW-HSZRJFAPSA-N 430.618 4.765 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1cnn(CC(C)C)c1C 1286748521 YDMDJXABQOEVOY-UHFFFAOYSA-N 435.601 4.737 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)c1ncc(C)s1 1286766994 BIQJZXLHEWZSNE-QGZVFWFLSA-N 448.596 4.701 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CSCCS1 1286960038 BXPRCJCFBPNOGF-RDJZCZTQSA-N 447.699 4.720 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 1289492290 KHDWOLIDQWVFBX-GFCCVEGCSA-N 434.115 4.625 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 1294491727 BCUXKMNADWTRKF-MRXNPFEDSA-N 433.763 4.914 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)CC1 1300361505 GUOAPIKDLLOJID-OAQYLSRUSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCc1csc(C(C)(C)C)n1 1300521566 RLNWOODUMUJXAX-UHFFFAOYSA-N 431.609 4.577 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1CSC)c1ccccc1 1301010343 VDLFSJVEWHWVRQ-HXUWFJFHSA-N 425.627 4.679 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCn2nc(C)cc2C)CC1 1301067212 YDWRWPAPVJQAQV-FQEVSTJZSA-N 438.551 4.617 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301198877 SVDNZIDDLIGIAK-OAQYLSRUSA-N 444.023 4.931 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1301308643 HYSYGZWPMLZNHT-WOJBJXKFSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1301348530 CHOLVUJQFGZGAY-LJQANCHMSA-N 427.593 4.582 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1C[C@]1(N(C)C)CCSC1 1301358916 BAHQVHKFTVALTI-HSZRJFAPSA-N 439.654 4.637 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1nc(C)cs1 1301406326 PBZNAAIAEOXOLG-QGZVFWFLSA-N 436.585 4.680 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@H]1N(C)CCCC1(C)C 1301412833 KPRHAFBMRMKMEQ-OAQYLSRUSA-N 427.637 4.815 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1303065510 DZTUQPQJUJARAU-OFVILXPXSA-N 437.636 4.617 30 10 IJEE C=CCNC(=O)NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 1307274727 RLORMJZFVVDWNO-OAHLLOKOSA-N 440.956 4.685 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)[C@@H](C)CC)nc2cc(-c3ccccc3)sc2c1=O 1307274887 XPAJDIPQSOMBQZ-KBXCAEBGSA-N 428.579 4.991 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CC=C(c4cccc(Br)c4)CC3)C2=O)cc1 1307662457 CFCRIZWOKKYILW-JOCHJYFZSA-N 436.353 4.605 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc1 1310191176 DHRBALLRGAVNAS-UHFFFAOYSA-N 429.520 4.546 30 10 IJEE C=CCc1cc(CNC(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc(OC)c1OC 1311747630 IYIDIQSSEAZLGU-QFIPXVFZSA-N 438.568 4.712 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccco1)c1ccc(Br)cc1 1312880538 XABWROWBLTZPLM-TZIWHRDSSA-N 439.309 4.814 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCCCCC3)n2C[C@@H]2CCCCC2(F)F)cc1 1316533159 FYBBTFCOHVCRJM-IBGZPJMESA-N 429.515 4.935 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C(C)(C)C)no1 1359001533 WYKSNXHQPIQLNN-MRXNPFEDSA-N 441.963 4.865 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(OC)CCCCC1 1359003431 KMEVEWDRRMBFCW-UHFFFAOYSA-N 437.407 4.578 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1359048680 YYEICOLJMLMEDR-UHFFFAOYSA-N 435.597 4.552 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F 1359061415 BDMMPDKYGMGQRQ-UHFFFAOYSA-N 434.940 4.589 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1359160427 UVPJULPOPHGGDE-NHCUHLMSSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)c(OC)c2)CC1 1359182093 SDAPLYKGIXHZOL-FYYLOGMGSA-N 438.616 4.964 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1436649788 WLNDNFJJLNFNQY-RBUKOAKNSA-N 435.738 4.742 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1F 1436652678 LZEGDHUGZZDJPY-GOSISDBHSA-N 446.707 4.840 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CS[C@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 1436749296 XQBXUPDLPWXFKY-YPMHNXCESA-N 443.425 4.540 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1437070635 IAZARQIOIZCRIP-GFCCVEGCSA-N 444.347 4.924 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2(c3cccc(C)c3)CCCC2)n1 1442967198 ZDFXNICWEFQFRS-UHFFFAOYSA-N 439.610 4.559 30 10 IJEE C=CCSc1ccccc1C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 1459571063 QUINXPVRKQGOQN-UHFFFAOYSA-N 443.370 4.580 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCc3c(Br)cc(C)cc3C2)cc1 1459982548 GULPAHKVQGHVLI-SFHVURJKSA-N 440.385 4.759 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1nncn1C(C)C 1465633907 DPFVKFYQJACGIP-IBGZPJMESA-N 427.549 4.714 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(Sc2ccccc2)c(C(=O)OCC)c1 1465985990 IXILLYLMTCTKCG-UHFFFAOYSA-N 426.538 4.518 30 10 IJEE C=CCn1cc2ccc(NC(=O)Nc3cc(C)n(CCCOc4ccc(F)cc4)n3)cc2n1 1467352919 GWNSVTFLUMOMRM-UHFFFAOYSA-N 448.502 4.979 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC[C@@H]1[C@@H](C)Nc2ccnn2[C@@H]1C 1468869283 WVWDZBBOLVDVQB-IIAWOOMASA-N 433.350 4.621 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1468869333 XFPDDIZZMYQVHX-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccccc1 1469447910 HPVUOZIWMMTOFO-UXHICEINSA-N 444.316 4.902 30 10 IJEE C=CCC[C@@H](NC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 1469468701 NDZAWOHZGAJSPQ-BHDDXSALSA-N 426.944 4.946 30 10 IJEE C=CCNc1ncc(C(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)s1 1469829439 OKEDDJPVVNTKGK-KRWDZBQOSA-N 442.585 4.617 30 10 IJEE C=CCCC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1472605768 WJTWHATXGQPNED-UHFFFAOYSA-N 436.961 4.624 30 10 IJEE C=CCn1c(Sc2nc(Cl)nc3c2ncn3CC)nnc1-c1cccc(Cl)c1 1472734734 AADCNRKMTKIFRW-UHFFFAOYSA-N 432.340 4.749 30 10 IJEE C#CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 1473826958 YACWSEIWKOTBHU-IBGZPJMESA-N 430.451 4.760 30 10 IJEE C[C@@H](NC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1478375880 CRGJPKWJVVZDJV-JPYJTQIMSA-N 448.567 4.985 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2cccc(-c3nc(C(=O)OC)cs3)c2)CCCC1(C)C 1478430219 BEXRIHGLUDPMFW-LJQANCHMSA-N 427.570 4.873 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1478806213 PHEIVLMUQLEEPZ-XZOQPEGZSA-N 441.616 4.995 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nc(C)c(C)s1 1496056522 AAQWWELOGQMOMH-MRXNPFEDSA-N 438.601 4.527 30 10 IJEE COCC1(CCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@@H](C)CC#N)CCC1 1504621207 FCXSMQUKBNNWOO-INIZCTEOSA-N 431.968 4.552 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCN1CC 1507518410 AVNNSFMFALOCPK-HOTGVXAUSA-N 428.005 4.755 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCc1nc(C(C)(C)C)cs1 1507644310 HCQUYQLBHALYSW-UHFFFAOYSA-N 431.609 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)c1ncc(C)s1 1507661573 ZSXNILULFPBSCD-HXUWFJFHSA-N 443.620 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C)[C@@H]1C 1507793594 DXTMFXQIYZKFIO-OPOADAIRSA-N 430.980 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCSC 1507795593 LTOUZVHXTSZHLR-KNQAVFIVSA-N 437.613 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=O)NC(C)C 1507816659 XSNMBOBRQPPAOX-UHFFFAOYSA-N 441.576 4.740 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1CSC 1507860703 SVWCFWQTHFDTKP-ZDUSSCGKSA-N 427.799 4.792 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1507958808 ILNNDXQQZJYHPD-UHFFFAOYSA-N 436.556 4.795 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)NC(=O)OC(C)(C)C 1507975384 QKRGFKWLBGDKOE-UHFFFAOYSA-N 425.533 4.617 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1(SC)CCC1 1508000624 YLDCXJHXQKPNBX-UHFFFAOYSA-N 432.597 4.634 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cn3ccccc3n2)n1CCOC(C)(C)C 1508002215 AIRHOLKEVBNHGN-UHFFFAOYSA-N 444.583 4.524 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H](C)C1 1508004469 FPPBJQGRTMHCHY-LJQANCHMSA-N 437.563 4.910 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)C(C)C 1508009637 VBJRPDVDVXSIMF-UHFFFAOYSA-N 444.004 4.625 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]2CCC[C@@H]21)C(C)C 1508012591 HACURMJIBBJIEL-WPFOTENUSA-N 436.648 4.751 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCOC(C)(C)C 1508015382 TZTNJRRCBIHWOG-UHFFFAOYSA-N 437.357 4.840 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1CCc1ccc(Br)s1 1508041941 WHEHZDVGCBKMNF-UHFFFAOYSA-N 439.423 4.641 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@H]1CC 1508152640 PFCKKACVMNTPDG-GDBMZVCRSA-N 438.439 4.590 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(F)c(N3CCOCC3)c(F)c2)c1 1520376888 AUTWZQJIDOZUNK-UHFFFAOYSA-N 438.499 4.691 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)c2)cc1 1520810578 FVQNCJSVULJOBO-QFIPXVFZSA-N 449.869 4.678 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1527475327 DNUWMIUVTYUBGO-IBGZPJMESA-N 442.581 4.969 30 10 IJEE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)cc1 1531508991 HKGNBHSMBKHHAO-CALCHBBNSA-N 439.943 4.657 30 10 IJEE C#CCN(C(=O)c1ccnc(O[C@@H](C)CC)c1)[C@@H]1CCOc2ccc(Br)cc21 1531554453 VDYJDJMNVUOOIL-HNAYVOBHSA-N 443.341 4.621 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br 1532449394 YOVULYLOJASZAK-UHFFFAOYSA-N 435.171 4.699 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCC(F)(F)C1 1539258108 ZMACYGRJZOTAHP-IBGZPJMESA-N 435.522 4.725 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C)s1 1539723182 ORJMWAKEIPVHBY-SFHVURJKSA-N 431.606 4.933 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1539758592 OZTCHVVYLSGEAD-QFIPXVFZSA-N 444.645 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1539912253 FFMVQKUAEADLOR-FQEVSTJZSA-N 447.583 4.917 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1539989040 NNCKTZAPAKZULT-LJQANCHMSA-N 427.911 4.677 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539989486 WBEPURLVSGUDPQ-HSZRJFAPSA-N 448.615 4.619 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 1540351873 POAYTZYVJUVEJR-NRFANRHFSA-N 428.960 4.971 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3cc4cccc(OCC)c4o3)n[nH]2)c1C 1540502321 SZXVDGLXZQAROM-CQSZACIVSA-N 433.512 4.712 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H](C)CCSCC 1540854737 AWEDROJGOPSWCR-AWEZNQCLSA-N 439.423 4.870 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C1 1541490853 GSEKBKGCJCFVAC-FGZHOGPDSA-N 437.588 4.560 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1nnc(C(C)(C)C)s1 1541800673 DZDMVOXVEHQROF-CYBMUJFWSA-N 429.981 4.534 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)n1 1542847172 BLHSTMKCWCCTRM-MRXNPFEDSA-N 431.569 4.515 30 10 IJEE C=CCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1OC 1544117922 GCRMNSMXJRDHDL-QFIPXVFZSA-N 448.588 4.851 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCC(F)(F)CC1 1555049242 FZXLVUUEZMSDGR-JOCHJYFZSA-N 429.515 4.909 30 10 IJEE C[C@H]1CN(CCOc2ccc(CCNc3nc(C(F)(F)F)ccc3C#N)cc2)C[C@@H]1C 1559153535 ALESUSRPAQRDBF-IRXDYDNUSA-N 432.490 4.593 30 10 IJEE COc1ccc(CSCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c(OC)c1 1559462138 CLEQSKMUWQBXKI-UHFFFAOYSA-N 427.570 4.981 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC 1561029988 BPHBCGSLEDWKOK-WMZOPIPTSA-N 438.996 4.896 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)CC2)cc1 1562328905 CTGRESPCZBVELJ-UHFFFAOYSA-N 448.473 4.770 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 1563947037 YCSODBUKPYHJTM-HXUWFJFHSA-N 428.374 4.816 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)NCc3cccc(Oc4ccccc4F)c3)CC2)cc1 1565017264 HKJURZHWCCDDLH-UHFFFAOYSA-N 444.510 4.517 30 10 IJEE C=C[C@H](C)ONC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1583412864 OFAQAZLHJLOMFE-SFHVURJKSA-N 442.515 4.961 30 10 IJEE Cc1nsc(N(C)C(=O)c2csc(-c3ccc(Br)s3)n2)c1C#N 1583525632 DOCYYHILQGOTNE-UHFFFAOYSA-N 425.358 4.547 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(C#N)ccc1F)c1ccccc1C(F)(F)F 1584674232 GFHRJEPHRDMGFA-QGZVFWFLSA-N 437.393 4.921 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@@H]2CCOC2)CC1 1587724022 ZDNBHULUJMMTBS-LJQANCHMSA-N 442.991 4.664 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1588166186 ICWWGSOKGRRZLP-GOSISDBHSA-N 448.364 4.716 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc(C(C)(C)C)cs1 1588413411 VRNQCMDMKBVMBX-UHFFFAOYSA-N 442.032 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H]1CCOC1 1589250696 AWVGPYBHDPZEHI-VGOFRKELSA-N 431.005 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1589506534 XNBUDNDLVCLKMS-OXJNMPFZSA-N 446.382 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1589514170 DMFJJDBJNUZOQB-NRJQMVOHSA-N 439.510 4.797 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1594097844 ZXFMQZBVCIVGCX-UHFFFAOYSA-N 434.531 4.876 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(CN2CCOCC2)CCCCC1 1594913801 OVQPEEQXPYJWMJ-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC1CCN(CCC)CC1 1595108847 MKYDLNWHBRDNMV-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCCSC 1595185276 UKGLXBFCTZJGLW-UHFFFAOYSA-N 425.371 4.778 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCCC(C)C)C1 1595707625 YRKXLZBTIYFJFS-QGZVFWFLSA-N 433.394 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2=CCCCC2)C1 1595753788 IHBTTYQLCHURRO-HXUWFJFHSA-N 440.613 4.861 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C)[C@H](C)C2)c1 1596205676 OFUHYJWYTCXIIR-ZWKOTPCHSA-N 447.000 4.839 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1613122880 FCPACHZYMCRHCC-KSFYIVLOSA-N 448.036 4.761 30 10 IJEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H](C)c3ccccc3)C[C@@H]1C)C2=O 1615243686 OYUYSZCZONPIPF-POUGUFFASA-N 441.911 4.515 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1618325860 UDSKXUDCZFWGCU-IEBWSBKVSA-N 442.556 4.536 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccccc1 1621945898 CJIXTLIFVPAXRO-YLJYHZDGSA-N 435.973 4.741 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1Cl 1621998624 HNSVLNPEJYGPOI-HXUWFJFHSA-N 432.332 4.522 30 10 IJEE C=CCOc1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1OC 1623590636 HVZSIWDPWYOLKL-NDEPHWFRSA-N 443.543 4.736 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)COc1ccc(Br)cc1C(C)=O 1625285635 IJIFZCUTMOSFGJ-UHFFFAOYSA-N 432.314 4.567 30 10 IJEE C#CCN(C(=O)c1nc2ccccc2s1)[C@H]1CCOc2ccc(Br)cc21 1629238961 WVKNKTVJMVAQCM-INIZCTEOSA-N 427.323 4.658 30 10 IJEE C#CCN(C(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1631808468 GYNIDXMIXYOLHO-HXUWFJFHSA-N 444.575 4.956 30 10 IJEE C=CCn1c(S[C@@H](CC(C)(C)C)C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 1640569397 YQMKMWKLMQTGPU-INIZCTEOSA-N 434.627 4.983 30 10 IJEE COc1ccc2ncc(C#N)c(OCc3csc(CC(=O)Nc4ccccc4C)n3)c2c1 1644051505 DQLKYYTVPSGXBB-UHFFFAOYSA-N 444.516 4.640 30 10 IJEE C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1645825141 GCUKPAHCQCOVGF-YJYMSZOUSA-N 437.849 4.631 30 10 IJEE C=C[C@H](C)Nc1cc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc(Oc2ccccc2)n1 1651639071 WXFSWDBHKPQIGB-ROUUACIJSA-N 439.560 4.749 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc1 1654392455 KNACUGNSFSFHBG-QFIPXVFZSA-N 429.513 4.736 30 10 IJEE C#CC[C@H](COC)NC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 1658918867 ZIKJKTBKZBOZEZ-MRXNPFEDSA-N 427.863 4.979 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(C(F)(F)F)cc1 1660207327 WYQLRAYQZJBZRJ-QGZVFWFLSA-N 434.397 4.649 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1 1660354061 COCMJUHDPWPQGJ-UHFFFAOYSA-N 441.350 4.712 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC)c1ccc(Cl)cc1 1663910701 ZFGSVNVBHFUGQF-GOSISDBHSA-N 425.916 4.608 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 1664219275 HFUNTYPDGTZUOP-GOSISDBHSA-N 442.478 4.960 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)ccc1F)c1ccc(Br)cc1 1668358059 CCFJZIWZPJJPJC-AWEZNQCLSA-N 426.083 4.847 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)ccc1F)c1ccc(Br)cc1 1668358064 CCFJZIWZPJJPJC-CQSZACIVSA-N 426.083 4.847 30 10 IJEE C#CCOc1ccccc1NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC 1668939115 RBLIKURCJBFSOR-NRFANRHFSA-N 437.540 4.649 30 10 IJEE C=CCC1(NC(=O)N[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CCCCC1 1671417160 UATAIPVNBIIJDE-IBGZPJMESA-N 448.405 4.831 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Br)cc2OC(F)(F)F)cc1 1671498361 RJPDANYKGOKDRK-UHFFFAOYSA-N 443.219 4.681 30 10 IJEE CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1672201574 BZCFOMZUPISCID-RTWAWAEBSA-N 445.677 4.718 30 10 IJEE C=CCC1(CNC(=O)NCc2cc(Cl)cc(I)c2)CCCC1 1672662393 NXAVHPWZYDVBEL-UHFFFAOYSA-N 432.733 4.880 30 10 IJEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1673265042 AVJUVSXJQJTVGU-FUHWJXTLSA-N 436.512 4.720 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](c2ccc(OC)cc2)c2ccco2)cc(OC)c1OC 1677641786 SXYIPFAFPZNDHI-QHCPKHFHSA-N 436.508 4.623 30 10 IJEE C=CCSCCNC(=O)N[C@H](c1ccccc1)c1ccc(OC)c(Br)c1 1680016744 HDSDYGAYUBNPLS-LJQANCHMSA-N 435.387 4.766 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl)C1CCN(C)CC1 1680694339 BSOMTCNXHUPBND-JOCHJYFZSA-N 430.379 4.822 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CCOCC1 1680762134 NBNYDCAGOAJLDO-VXKWHMMOSA-N 446.469 4.531 30 10 IJEE Cc1ccc([C@H](Cn2ccnc2)NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(C)c1 1680876216 HTSPSLWBXRJKCZ-VWLOTQADSA-N 427.552 4.702 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21)c1ccc(Cl)cc1F 1682366580 GTTUBVFFYRLQLL-JCHJZTRSSA-N 433.708 4.553 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1682683016 IPNIHYWXHGKGPZ-CRAIPNDOSA-N 440.466 4.580 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(F)c(F)c1 1686173341 GKNGXGQRLKVZBI-RBBKRZOGSA-N 428.479 4.954 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173396 HOGUNFFOGVJTFB-KXBFYZLASA-N 425.520 4.965 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1689948462 WYUGAHZSQCFFTO-SZPZYZBQSA-N 433.644 4.574 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1C 1690034462 ISUOSLIQXRAADK-HKUYNNGSSA-N 425.374 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1690204170 BOLIZIAEMKYFEP-AREMUKBSSA-N 436.600 4.923 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCc1ccccc1C(F)(F)F 1690208041 VWEGWLRPJGVGEO-HSZRJFAPSA-N 439.485 4.518 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSC[C@H]1C 1690319345 JQGTXIHMORFTGZ-LJQANCHMSA-N 444.645 4.689 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1690331094 QCZILTBECCWWJT-RCBQFDQVSA-N 438.801 4.814 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)c(C)c2)CC1 1690366218 TXGJKAJODTVUKL-UHFFFAOYSA-N 444.352 4.698 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](c2cccs2)N(C)C)CC1 1690406939 YEUAXVJFJOYRON-HXUWFJFHSA-N 425.577 4.851 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1690485434 SWFOPZCEHHDAFZ-YOFSQIOKSA-N 431.625 4.810 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2ccc(OC)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1690495846 HJLZBSRAGLTDIU-RCZVLFRGSA-N 440.588 4.635 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)nc1 1690609686 XGDUKFAJPCDKBG-DHIUTWEWSA-N 449.599 4.777 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOC1CCCCCC1 1693727161 HOTJRBNSIKAWTJ-UXHICEINSA-N 437.588 4.703 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1695607130 IADPAPXQDPPNSC-MSOLQXFVSA-N 428.650 4.744 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1705507615 APNHWXIUMRYSSB-RTWAWAEBSA-N 433.600 4.843 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1c(C)nn(C)c1C 1705510564 STEJBYNBFZHMEY-UHFFFAOYSA-N 441.583 4.592 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CCCCC1 1705531998 CPDVWFMOOVTQPQ-HXUWFJFHSA-N 443.636 4.965 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CCOC)CCCCC1 1705543981 BBQWZJDPZYORFZ-UHFFFAOYSA-N 432.515 4.603 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCSC 1705622833 WLYSAPMPACCZDU-UHFFFAOYSA-N 435.018 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC[C@H]1CCCCO1 1705669964 CKMYAXHHOUDIOT-DENIHFKCSA-N 443.389 4.659 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C#N)CC1 1705803466 RITINTOWWLHUNP-UHFFFAOYSA-N 444.377 4.812 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)OC)CC1 1705809678 ZAOYIZHTFKNENW-UHFFFAOYSA-N 428.602 4.625 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CC1(SC)CCOCC1 1705877902 PYXSRZUSFBUXLJ-UHFFFAOYSA-N 428.646 4.723 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705887436 HBWIQSMIZSGGID-FQEVSTJZSA-N 425.577 4.529 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccc(Cl)s1 1722278233 PFHYCLAYTPQDMB-CYBMUJFWSA-N 436.915 4.962 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1722317641 HQSMTENTTQGCLO-QTEAWJPNSA-N 426.630 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(CCOC)CC(C)C 1722495777 TYPRTFLUOIUVLG-REWPJTCUSA-N 438.572 4.781 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCOC[C@@H]2C)CC1 1722577122 XWTWQXSZRSMKEH-WMZOPIPTSA-N 445.405 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCC(C)CC1 1722584589 GGTNSJZCOPJEIE-UHFFFAOYSA-N 444.645 4.966 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1722589288 ODNRRMFSXDBBLY-UHFFFAOYSA-N 449.521 4.658 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1722600407 OLDZOXGUDKUIAF-UHFFFAOYSA-N 427.980 4.518 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(c2ccnn2C)CC1 1722619960 NPWKJTYAQKNIDN-UHFFFAOYSA-N 434.588 4.558 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](COC)C1 1722623824 MONZXDLKLPKLGJ-FQEVSTJZSA-N 426.605 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722667276 COCPKWQCFSECOK-UHFFFAOYSA-N 439.560 4.592 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccccc1F 1722674472 DAJYIQRQQRSQQZ-UHFFFAOYSA-N 448.546 4.624 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722686135 RHAZZHJCULCBDT-UHFFFAOYSA-N 445.995 4.544 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC2CCCC2)CC1 1722735470 OKUFNCDPDYFGOH-UHFFFAOYSA-N 437.613 4.664 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1724009900 GRMASKAMGRDSBG-JLMWRMLUSA-N 446.521 4.763 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)o1 1724291878 GKLROGUJGRWFMJ-JTHBVZDNSA-N 433.556 4.806 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740572330 IIFQBBZFJLDUNJ-IBGZPJMESA-N 441.988 4.745 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1scnc1C 1740661581 FVWWELGIEVVOGD-INIZCTEOSA-N 429.977 4.539 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740666362 MHMYKIANPIMKMX-REWPJTCUSA-N 431.584 4.794 30 10 IJEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1C(F)(F)F 1740793430 IVIZSWZLNDDTKW-UHFFFAOYSA-N 445.489 4.512 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740845058 CLDQGHVSLBPNNG-QFIPXVFZSA-N 429.572 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740853158 YUPPHHKXFGXDRT-NRFANRHFSA-N 437.588 4.582 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1740912882 WADUAVOWLLNGRX-UHFFFAOYSA-N 431.584 4.839 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1cccs1 1740923866 YDRMTCBFYLMMEG-AVRDEDQJSA-N 444.626 4.743 30 10 IJEE C[C@@H]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)C1 1742997808 GOHXKNFVZQLHDI-NHCUHLMSSA-N 434.632 4.891 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1748937589 MIRRPLZEODPXMK-LEWJYISDSA-N 438.616 4.819 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS[C@@H](CC)C1 1749024276 LMDPNDCPJZIHSR-AEFFLSMTSA-N 446.711 4.830 30 10 IJEE COc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)C(C)C 1749085338 GBXUJTMYILBCFX-UHFFFAOYSA-N 425.577 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1csc(-c2ccco2)n1 1749146531 HBDUUZFKYFLEPG-UHFFFAOYSA-N 430.537 4.984 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(C)c2)CC1 1749330818 OSVQYVBVLPQGET-UHFFFAOYSA-N 440.389 4.989 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(F)(F)c1ccccc1)C1CC1 1749510316 DPOLZMQUEGKCNL-UHFFFAOYSA-N 448.315 4.983 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1)C1CC1 1749511021 QCLLQXOIZCTLJC-OAHLLOKOSA-N 448.514 4.561 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H](OC)C(C)(C)C 1749553190 FQGVUPFOVVEFCT-FQEVSTJZSA-N 425.602 4.579 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCSC1(C)C 1749592475 NASXQEFKCORUHL-SFHVURJKSA-N 426.586 4.862 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2sc(C)nc2C)C1 1749697448 KLKHTUWOTCZSIL-SFTDATJTSA-N 437.613 4.723 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOCC2(CC2)C1 1749747173 VBRHHOMLVPMPLB-UHFFFAOYSA-N 439.412 4.788 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)o1 1751472210 HGWHZVMCZIOYMR-FQEVSTJZSA-N 446.580 4.719 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOCC)CCC1 1760103968 PEQWJDJLBKQNMX-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1760150190 CXXILMXEHBNDCN-UNMCSNQZSA-N 449.599 4.503 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@](C)(O)c1ccccc1 1760173961 ZUDUMOKGHXKHLC-VWLOTQADSA-N 434.609 4.643 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1scnc1C 1760237523 LYHXMOWJCRGCPJ-UHFFFAOYSA-N 437.613 4.756 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1760286011 YTZBZLQUGJZPDH-KSEOMHKRSA-N 438.641 4.801 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760352848 ZHQXAQMLTGMOSL-XMSQKQJNSA-N 439.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760409859 KFIBWJTVHYZYDR-MHECFPHRSA-N 445.007 4.975 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cc(Br)cs1)C1CC1 1760471748 HMVFUDZKCBOOOK-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCCc1cccc(C)n1 1760485058 QZYROVQBTFQOQH-JOCHJYFZSA-N 449.574 4.840 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(NC(C)=O)cc1 1760485801 QTBNCOVPEPWYCP-UHFFFAOYSA-N 446.580 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1sc(C)nc1C 1760492686 CFTSZGDNJAEVKZ-UHFFFAOYSA-N 445.596 4.625 30 10 IJEE CCOC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](F)(C#N)C1 1767325596 FBGUFNCTVHPDBN-JOCHJYFZSA-N 431.581 4.533 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CC(F)(F)C1 1772516155 NXBBITVJPWXAIC-UHFFFAOYSA-N 440.538 4.663 30 10 IJEE Cc1c(Cl)cccc1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12 1858242362 XSLIUGTVOOKNMF-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)c(C)c1 1858841264 HPDSBFDNMNDPIM-GOSISDBHSA-N 443.507 4.929 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Br)cc2)cc1C 1862409825 UMWQZCQZDANEFD-LJQANCHMSA-N 444.325 4.753 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 1862468541 QXHYUWOHEZDWPZ-XIKOKIGWSA-N 432.289 4.965 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478401 GNEDYYNVUBYMBL-HXUWFJFHSA-N 433.485 4.533 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(F)c2)c1 1862556406 VYNRDDUQZSHYDX-HSZRJFAPSA-N 430.479 4.803 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 1862650369 UJDMUYONISRSGP-QHCPKHFHSA-N 431.488 4.550 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862687134 GNOOVESFOHKECR-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862687662 NRPXQJQUZXZCTR-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862710058 MJPBCLXFLLYSHI-IBGZPJMESA-N 444.871 4.635 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 1862748313 XZFOCKHKQNVXPC-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE CCOc1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839537 SHHHOEMRRKOAKW-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3ccccc3[N+](=O)[O-])C2=O)c1 1862864973 PMTBRBNAWSLMMQ-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1863314467 QTQWYNQRAIMTIJ-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCCN(C)C)C1=O 1863509672 WHZXSCICQVRYEM-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(=O)c3cc(C)cc(C)c3[nH]2)c1 1866490541 VUUNGGVTBWSORX-UHFFFAOYSA-N 435.483 4.808 30 10 IJEE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867131455 GGRKFJSAJNWPCN-NZQKXSOJSA-N 447.485 4.892 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CSc1ncccn1 1870275006 BZZTXZADZQNVGN-UHFFFAOYSA-N 447.601 4.622 30 10 IJEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 1871345748 XZQIDPUAPSJZTC-FBHDLOMBSA-N 436.414 4.651 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871428823 WBMLPDYLPSBEIO-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN(CC=C)c1nc(=NCC(C)C)nc(Nc2ccc(OCc3ccccc3)cc2)[nH]1 1871635380 KVJDBIFQKYBIBV-UHFFFAOYSA-N 444.583 4.862 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 1871754709 CIZDUMWRSOENRF-QFIPXVFZSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871802874 JDBLQNRFHSLTAA-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)CCC 1871833743 SOSINZVMCFQANW-HSZRJFAPSA-N 428.598 4.937 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1)S(C)(=O)=O 1872148800 BCWCZYKFVSMRGZ-HSZRJFAPSA-N 435.549 4.558 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCCCCCC)cc1)[C@@H](C)CC)S(C)(=O)=O 1872175267 SFIUEYZTRHCRGK-UGKGYDQZSA-N 438.634 4.837 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872425212 RRPVEZGYQRTLAZ-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872574650 ANIVDCYVBRQVEP-HSZRJFAPSA-N 444.597 4.605 30 10 IJEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 1872776610 SXKOLKLYIJHDLS-LJQANCHMSA-N 439.562 4.795 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c2ccccc12 1872788484 JIEWPOWTMJOVSQ-HNAYVOBHSA-N 447.560 4.795 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N3CCc4ccccc4C3)ncnc2n1CCCC 1873554430 WKNKMJZFWJXUCI-UHFFFAOYSA-N 429.568 4.608 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(C)C 1873936879 QWESMLKBCCTFJM-DEOSSOPVSA-N 444.664 4.800 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccc[nH]2)cc1C 1874421139 XDGPBRWNZLRFOF-FSJBWODESA-N 436.566 4.565 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)c1 1874458587 WEWVUOXASDHEDJ-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OC 1874636787 SHNNIAYGWQJDEW-CMDGGOBGSA-N 442.508 4.557 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)c1c(OC)cccc1OC 1874710302 VQUCHTJUKXDPOQ-NTUHNPAUSA-N 436.435 4.967 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)cc2F)NCC)C1 1892683958 GXMPTQREEMEGKY-QGZVFWFLSA-N 427.358 4.722 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(C[C@H]1CCCO1)C(=O)OC(C)(C)C 1943919768 WVMGIEVDEHETTO-PNCHPQGNSA-N 437.581 4.522 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 1950339719 SSPPRPJYXVTQJQ-NBGIEHNGSA-N 427.589 4.739 30 10 IJEE Cc1cc(C#N)ccc1C[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951963115 QOQXMYUNEJZKMS-MHZLTWQESA-N 440.499 4.791 30 10 IJEE CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cnoc1C(=O)O 1952629605 HUYQQSVVXYIYNF-FQEVSTJZSA-N 438.505 4.661 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CNc2cc(Br)c(C#N)cc2F)s1 1962850752 XFTKZVKCYUGCBK-UHFFFAOYSA-N 427.299 4.875 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3ccc(Cl)c(Br)c3)C2)OC1(C)C 1965482989 WOOJNIPYVXAERE-CYBMUJFWSA-N 428.563 4.801 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)C12CCC(CNC(=O)OC(C)(C)C)(CC1)OC2 2039975435 BUXHTHAHGLIEOF-OIEGUCRUSA-N 444.616 4.592 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(/C=N/O)c2Br)c(O)c1 2079048844 XKUOJVLRXGOSKB-HMAUVEFUSA-N 432.240 4.876 30 10 IJEE CC[C@@H](c1ccc(OC)cc1C)n1nc(C(C)(C)C)c(C#N)c1I 2079906076 OGDAVQIEOACYCY-INIZCTEOSA-N 437.325 4.973 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)C1(CNC(=O)OC(C)(C)C)CCCC1 2118201835 VDFKDEJOZGZOCI-UHFFFAOYSA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CCNc2ccc(C#N)c(Br)c2F)C1 2205242435 PAHIKLNUARPDMZ-VLIAUNLRSA-N 438.341 4.909 30 10 IJEE CCCc1ccc(C#C[C@H](O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2231181185 RPUUTXIWDPPBSN-LBNVMWSVSA-N 448.607 4.521 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(CC#N)C1 2243925645 YXYPUEAHKDOTDH-BRVOVERQSA-N 445.563 4.748 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1 2267229476 ZCTBJQQHVOLNBP-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE C=CCN(C[C@@H](Cc1c(F)cccc1Br)NCCC)C(=O)OC(C)(C)C 2273823631 NEKKZUWXFAVJFW-OAHLLOKOSA-N 429.374 4.922 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](NN)c1cc(Br)ccc1I 2284074152 YPAHYQJLZGOIGU-OAHLLOKOSA-N 447.158 4.554 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@H](O)C#Cc1cccc(Br)c1 2296225921 AFVIGXKGTDKQGA-QGZVFWFLSA-N 432.314 4.890 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C(C)C 2296227285 NIYBPMHMFULFOT-NNMXDRDESA-N 435.406 4.718 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296271884 GWDRJARUZFQYQM-MOPGFXCFSA-N 437.422 4.964 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296272053 JAFPZPGIZSNIOF-FRYIKTPZSA-N 433.390 4.567 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]1(CNC(=O)OC(C)(C)C)C[C@H]1C 2296275308 YYUBNELNEHUQNB-PERKRYKHSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCN(C(=O)OC(C)(C)C)C1CC1 2296282327 VKRZIWDJXRXYHD-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@@H](N)C#Cc2cccc(Br)c2)CC1 2296289011 NFYJPAOBRBIKCE-UEUGHCDMSA-N 435.406 4.849 30 10 IJEE CCC[C@@]1([C@H](C#Cc2ccc(Br)cc2)NC)CCCN1C(=O)OC(C)(C)C 2296307686 XUGGLHXIJDCVEN-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)cc1 2318571482 LMQWVBJFTOMNSD-UHFFFAOYSA-N 431.359 4.922 30 10 IJEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1cc(OC)c(OC)cc1OC)C3=O 2322047778 SGAFURNBELEABV-UHFFFAOYSA-N 439.508 4.671 30 10 IJEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C23C[C@H]5C[C@@H](CC(O)(C5)C2)C3)C4)o1 2322233832 UPEQSFVZYAXJTF-HVRNZWLGSA-N 447.531 4.748 30 10 IJEE COC(=O)c1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccs3)C4=O)C2)cc1 2322312452 YWFGMYYFRZURFI-UHFFFAOYSA-N 447.512 4.811 30 10 IJEE Oc1nc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)nnc1-c1ccccc1 2323283511 ZKTRQZUSPNHRFS-UHFFFAOYSA-N 431.883 4.923 30 10 IJEE CCCNC(=O)COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC 2323328296 UYWFMIKJFXGQFJ-UHFFFAOYSA-N 433.504 4.658 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2OC)o1 2323580473 VHVKRJJAWFNVCL-UHFFFAOYSA-N 436.460 4.867 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)cc1OC 2323720303 IKICAZAWLNERCJ-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2325103912 QAYNIWQKTYXVOR-UHFFFAOYSA-N 439.464 4.878 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Br)cc2C)cc1OCC 2325642833 NPAIEPGHTGOPRD-UHFFFAOYSA-N 432.314 4.776 30 10 IJEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(C(=O)OC)cc2)c1 2326783747 QSVNFKPOUTXBGT-UHFFFAOYSA-N 438.553 4.727 30 10 IJEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1O 2330676042 CGHBHEWBEMHXEX-UHFFFAOYSA-N 430.533 4.876 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1 2330993301 RDUNBYHDDVWOKG-IBGZPJMESA-N 428.945 4.972 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cnc(C)cn1 2331279092 HWRFDPKHHFWMIQ-UHFFFAOYSA-N 447.447 4.516 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Br)c1OC(C)=O 2331463567 SLYXBZXHBXPSLU-UHFFFAOYSA-N 437.261 4.817 30 10 IJEE CCCN[C@H](C#CC1CCC1)c1cc(I)ccc1Br 2337531168 JLTNVKHMASABNH-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE COc1ccccc1CN/C(=N\C(=S)Nc1ccc(C)cc1C)Nc1nc(C)cc(C)n1 14156150 KVOPTKFXVQJXNA-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE CCSc1nc2n(n1)[C@@H](c1ccc(N(CC)CC)cc1)C1=C(CC(C)(C)CC1=O)N2 17094581 LKVHOPGACMDJKU-FQEVSTJZSA-N 425.602 4.894 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(CC)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 21578006 STQGGWIYIVOAJT-MRXNPFEDSA-N 441.622 4.968 30 10 IJEE C=CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 33606431 BAIFHFONQQJBDB-WYMPLXKRSA-N 438.380 4.955 30 10 IJEE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825381 KKCFVJHSXZRBJX-NLRVBDNBSA-N 437.496 4.973 30 10 IJEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N1CCCC[C@@H]1C 59811056 AVSBSEFOUVYDDG-SFHVURJKSA-N 435.597 4.723 30 10 IJEE Cc1onc(-c2ccccc2Cl)c1C(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1 96349344 NWBZXTRASIBXKB-UHFFFAOYSA-N 447.922 4.602 30 10 IJEE CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(Cl)cc3)S2)c1 100248782 ZKMTWOQXJBBPPA-YQMDHOPXSA-N 431.945 4.719 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 102700902 YTCMKJVEEKPKAV-UGUGFTGJSA-N 428.488 4.804 30 10 IJEE CCc1nc(N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)sc1C(=O)OC 169943453 PECRBZVTRIGNSX-QRVIBDJDSA-N 425.510 4.526 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccs2)c1 169981649 ZQMQFMNSVBWHDW-NRFANRHFSA-N 435.501 4.938 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccn2)c1 169990639 DWQBKWUHJOIKIQ-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccncc2)c1 170025816 FNKMKDHCVBSIBP-RUZDIDTESA-N 426.516 4.796 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccc(O)c2)cc1 170080244 WZMNMWKHCVPNHG-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170114159 MTQHHAFUZQCZDJ-VWNXMTODSA-N 443.499 4.606 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)c(C)c1 170175378 NDJVTVPFZGFQPP-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)cc1 170186078 ZPLKIVMCIDXPHH-GYCJOSAFSA-N 440.499 4.750 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccnc2)cc1C 170186786 WTBSBSYGWXZLDA-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)s1 170188695 HQONYPBPKYOIHE-KRWDZBQOSA-N 425.897 4.591 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1)c1c[nH]c2ccccc12 170203952 OSKCFHCYRMLKIQ-NRFANRHFSA-N 429.863 4.999 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(O)c(Cl)c1 170220026 NIHWOYACJIKHHW-IBGZPJMESA-N 429.900 4.659 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1C(C)C 170230695 SGKJFVIXWBVFEC-XMMPIXPASA-N 442.515 4.992 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cn(C)c2ccccc12 170269362 SSECKYYJUBJVIN-DEOSSOPVSA-N 444.531 4.882 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCN(C)C 170318420 SYBHGDCNPWMLFO-INIZCTEOSA-N 439.364 4.503 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170404033 LJFYJEXDZHXELI-QFIPXVFZSA-N 428.444 4.861 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 170413804 XQNZCMCHPALHON-XMMPIXPASA-N 441.531 4.706 30 10 IJEE COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)NCC1CCC(C#N)CC1)CC2 442720108 JYNRQTDMPNMHBN-ZPHNUYGRSA-N 433.552 4.691 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1C#N 447696103 QDFIBOKFQOWAHN-UHFFFAOYSA-N 448.291 4.522 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(c2nnc3n2CCCC3)CC1 460380783 ARKFNSOKZNLADL-UHFFFAOYSA-N 437.636 4.679 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 508798499 UDGJHJXNQTYINS-CYBMUJFWSA-N 445.283 4.584 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508811709 ULRZCRZCJBAOOJ-LJQANCHMSA-N 449.356 4.695 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](c2cccs2)C1 508825674 KXKQLAIUWVWQMB-INIZCTEOSA-N 449.349 4.672 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508879919 IWAPKOMURHVKDV-UHFFFAOYSA-N 427.552 4.951 30 10 IJEE Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1I 518848841 DRUTWYTVSSEYNG-HNNXBMFYSA-N 444.194 4.613 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 524159192 YXUQUHZKARHCMI-GOSISDBHSA-N 449.486 4.946 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 524516334 FMZNFZBQYJZDRF-UHFFFAOYSA-N 446.294 4.619 30 10 IJEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 526743917 GXFSFUZVBLALIH-JOCHJYFZSA-N 449.409 4.673 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc(CSCc3cc(-c4cccs4)on3)n2)c1 547064568 PUAWUZYJDHKAIX-UHFFFAOYSA-N 438.534 4.802 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(c2ccnn2C)CC1 580219889 ITXXUVXBWOYOAC-QGZVFWFLSA-N 440.979 4.765 30 10 IJEE C=C(C)CN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(CC)cc1 586131882 KEKQWWDHUDVLIU-UHFFFAOYSA-N 431.598 4.856 30 10 IJEE COc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)nn1C 698480649 AEMWMXRMFXVTHS-OAHLLOKOSA-N 435.322 4.506 30 10 IJEE C=C(Br)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 726163239 VFNSKROFJOMNEI-NRSPTQNISA-N 441.369 4.638 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cc(C)ccc1F 742213590 KHOJJBZZGZZGGP-HXUWFJFHSA-N 441.503 4.647 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1ccc(Br)cc1C 762997252 WUOWJAIQMYSVRR-IBGZPJMESA-N 427.342 4.772 30 10 IJEE C#CCN(Cc1cnc(-c2ccncc2)s1)[C@H]1CCOc2ccc(Br)cc21 769404747 PUAICMFQADSKQQ-IBGZPJMESA-N 440.366 4.927 30 10 IJEE CC(=O)N1CCC(=NNc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc2C1 778538245 MSHXWYYFWOVONY-UHFFFAOYSA-N 436.519 4.503 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 788794087 AYABWGBKOBXRCV-UHFFFAOYSA-N 435.524 4.545 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cc(Br)cs2)n1 803520791 YRQZPXJHAWIPLM-INIZCTEOSA-N 445.407 4.927 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](c2ccccc2)CC1 809890290 ZASSFJKDJFZTND-QHCPKHFHSA-N 445.567 4.665 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1ccc(C)o1 809896129 FGZIZPFVZLWLSE-OALUTQOASA-N 441.576 4.822 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1[C@H]2c3ccc(Br)cc3C[C@H]21 1128908044 UMAUCMSMZXSSKX-QHAWAJNXSA-N 428.374 4.717 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 1129702890 PIJIRYMRQCEVJN-OLZOCXBDSA-N 427.339 4.502 30 10 IJEE CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cccc(C#N)c2Br)n1 1129872830 AUEIZYFTXRNQNU-UHFFFAOYSA-N 425.286 4.921 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 1135946879 HRVDNBLXGWGZTC-UHFFFAOYSA-N 445.460 4.877 30 10 IJEE C=CCN(C(=O)c1cc(Br)cn1C(C)C)[C@@H](Cc1ccccc1)C(=O)OCC 1138239358 YPHKQVVDTQJBKW-FQEVSTJZSA-N 447.373 4.634 30 10 IJEE C=CCN(C(=O)CN(CCO)[C@H](C)CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1170860455 IOLWZTARDPXPGR-CQSZACIVSA-N 442.412 4.729 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)cc1 1196668324 MTJNGTXVRNAUEF-GOSISDBHSA-N 438.281 4.790 30 10 IJEE Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1OCC(F)F 1199613818 FDOKRZWQQOSDFC-UHFFFAOYSA-N 434.874 4.518 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc1OCC 1199678246 KXWIKBCEIURMKP-KSZLIROESA-N 439.438 4.869 30 10 IJEE C#CCCS(=O)(=O)N(C)[C@@]1(c2ccccc2Cl)CCC/C(=C/c2cccs2)C1=O 1212054920 TWXWPJLBVBBJCF-HJTJBWIJSA-N 448.009 4.718 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(CCOC)CCCC1 1229963450 OFFIPMRKVLEAOZ-UHFFFAOYSA-N 427.358 4.883 30 10 IJEE C=CC[C@H]1N(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CCCC1(C)C 1255412911 JAIOJNZKUZIPOF-DLBZAZTESA-N 429.552 4.655 30 10 IJEE CC(C)(CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)NC(=O)OCc1ccccc1 1264596577 ATJNHZPXRHZAPB-UHFFFAOYSA-N 444.491 4.779 30 10 IJEE C=CCCSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1278581558 LKBNBQWHAZACDI-INIZCTEOSA-N 432.508 4.697 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(Br)cc2Oc2ccc(C)cc2)nn1 1280423230 VMSVHKFQBIXEJY-UHFFFAOYSA-N 427.302 4.970 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1286274125 IZHSKDWHNSTOIG-AOJNWGRGSA-N 433.644 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC1(COC)CCCC1 1286287020 CMEZZIIKZAGUKO-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1286438273 WNZQUESBHGUWTA-JXQFQVJHSA-N 442.991 4.550 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCC[C@@H]1C 1286714677 SMWWRCXQYLQNQY-BSRJHKFKSA-N 432.996 4.862 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccc(OC)c1 1286728889 JUGHYRXUORCBFU-NHCUHLMSSA-N 426.605 4.805 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CC1 1286747940 RCTZFNHNCNQDSI-UHFFFAOYSA-N 441.988 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1cccc(Cl)c1 1286760030 WNEOROFUAXYNQU-JOCHJYFZSA-N 428.989 4.670 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(C)C)C1 1286799081 PNGAVCRPHGRDMC-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)C)C1 1286812582 MWDRAJXLRMVBEY-INIZCTEOSA-N 425.360 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSCC(F)(F)F 1300283767 OUFPBOUYSOXIJK-KGLIPLIRSA-N 442.576 4.885 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1300843538 GGHCAYZTTUHAEX-SFHVURJKSA-N 431.378 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC(C)C)C(C)C 1300884911 MUDKYWXMEYLDBO-VJBMBRPKSA-N 440.588 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(OC(F)(F)F)cc1 1300918777 IFQQXDWQWFRJCU-UHFFFAOYSA-N 431.462 4.613 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(F)ccc2F)CC1 1301135096 HABBHUVKLPPEBD-TZIWHRDSSA-N 430.543 4.926 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(N(C)C)nc1 1301380122 ZWHOEFRTNFZNAG-UHFFFAOYSA-N 443.382 4.940 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(C)c1C 1301405255 BYSHANIKHHZCCK-UHFFFAOYSA-N 436.947 4.517 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1301432752 BOPKEGXOCKVXNV-HKBOAZHASA-N 441.595 4.834 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OCCC(C)C)CC1 1301436270 YIVAXVYEEQCFCF-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1301542835 RXMLIBFQNICKLJ-SFNKJDCFSA-N 448.970 4.723 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2CCCCO2)C1 1301557890 XRVFSLWIDQBFCH-FCHUYYIVSA-N 445.007 4.653 30 10 IJEE C[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CC#N)CC1)N(C)C 1303691565 FYECDPHOEHVSJA-HNNXBMFYSA-N 443.020 4.893 30 10 IJEE C=CCn1c(SCc2cc(Cl)ccc2I)nnc1C1CC1 1307262063 GNIMNAXVWOGAFX-UHFFFAOYSA-N 431.730 4.892 30 10 IJEE C=CCn1c(SCC[C@H]2COC(C)(C)O2)nc2cc(-c3ccccc3)sc2c1=O 1307274406 PQRPXUTVUGOJFC-INIZCTEOSA-N 428.579 4.945 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 1307512125 AGLZULUJVSTREO-SIKLNZKXSA-N 444.362 4.904 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(Br)cc1 1309992040 VNNPFNBKSKFNQT-KRWDZBQOSA-N 446.732 4.725 30 10 IJEE CCO[C@H](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C#N)CC1)C(C)C 1314060047 BUSXDNQNKQGTAE-HSZRJFAPSA-N 447.587 4.526 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2CCCCS2)c1 1316528338 CRYGASGEMYJQGC-GOSISDBHSA-N 435.519 4.881 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)ccc1F 1347811934 RPXHNKUFUHJYHT-UHFFFAOYSA-N 438.484 4.958 30 10 IJEE CC1(C(=O)NCc2ccccc2Br)CCN(c2ccc(Cl)cc2C#N)CC1 1355657779 DSPUTZKNVGFGRN-UHFFFAOYSA-N 446.776 4.897 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)COc1ccc2cc(Br)ccc2c1 1357325376 PJDPVGKECPDNSB-UHFFFAOYSA-N 426.285 4.782 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)C(C)(C)C 1358878675 BEOYVKAYKUWQLY-MAUKXSAKSA-N 433.394 4.535 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC(C)CC1 1359003969 DFYIYQWSBLXFNI-UHFFFAOYSA-N 444.023 4.579 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N(C)CCc1ccc(Br)cc1 1359049181 JZCCPSFOHFNSBC-INIZCTEOSA-N 435.435 4.599 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1359062142 XHOWIZRXZWYILT-MOPGFXCFSA-N 444.670 4.960 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(CCOC)Cc1ccco1 1359118820 FTVONTOBJYWKFE-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC2CCCC2)CC1 1359181360 PORHZALKNOMGKB-UHFFFAOYSA-N 427.618 4.642 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@H]1C 1359223865 YGDIZPCJTQZEAA-HZPDHXFCSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCCCO1 1359254245 JXFSOZBUKUEPBU-HSZRJFAPSA-N 447.583 4.809 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC=C(Br)C1 1359283972 GWCTVIIKFDINAZ-UHFFFAOYSA-N 442.130 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2csc(CC)n2)C1 1359314771 HPFBEUPERWTULA-LJQANCHMSA-N 444.004 4.641 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)c2)cc1 1359976671 ABIZQOCEJVGHKX-UHFFFAOYSA-N 446.406 4.896 30 10 IJEE C=CC[C@@]1(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1435175165 JHWBGRYTWPKAAO-IBVKSMDESA-N 441.616 4.674 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(OC)c(OC)cc3C2(C)C)cc1OC 1438928372 NOBDMEZXSBHXLS-LUAWRHEFSA-N 437.536 4.610 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 1442966979 JUVDKINCBOABCE-UHFFFAOYSA-N 444.466 4.694 30 10 IJEE C#CCC1(NC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CCOCC1 1455915214 GQPCWSIEAFDFMS-UHFFFAOYSA-N 446.334 4.940 30 10 IJEE CCc1ccc([C@H]2CN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CCO2)cc1 1459948052 FBZLADZGHIQJKL-RUZDIDTESA-N 442.563 4.540 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1460028433 DEUJNXPGJYVSIS-NTKDMRAZSA-N 442.515 4.809 30 10 IJEE C=CCC1(NC(=O)Nc2nc(Cc3ccccc3Br)cs2)CCOCC1 1465980468 DKVFLCXYNLLPEZ-UHFFFAOYSA-N 436.375 4.743 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)CCCC1(C)C 1466768297 QWVSDFNECQVJSD-NRFANRHFSA-N 440.519 4.971 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1467699071 CFCZBVXALYDKFJ-VDZJLULYSA-N 427.898 4.808 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1470103008 BDWYNEMJXGWBCF-AQNXPRMDSA-N 432.406 4.927 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 1474008268 NWRIOKABRNKAGY-UHFFFAOYSA-N 436.556 4.899 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cnc(Cl)c(OC)c1)c1ccc(C(F)(F)F)cc1 1475121929 ACARBTCLXCDNDN-HNNXBMFYSA-N 434.867 4.748 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3nc(CC)cs3)CC2)cc(OC)c1OC 1477657610 JQKVTCQUNCCQEO-UHFFFAOYSA-N 443.613 4.616 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccc(F)c(F)c1 1478470247 CTYUSFVEXJXLQC-SIKLNZKXSA-N 442.510 4.968 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC1(C)CC1 1504447226 ADTNZIRWNPKBNO-QHCPKHFHSA-N 425.602 4.899 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCC1(F)F 1507665034 SNQXRZMMTLAKAA-KRWDZBQOSA-N 446.929 4.896 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(N(C)C)CCCCC1 1507680407 GGXDAPORAIFDDJ-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCOCC1CC1 1507766024 XNVKCTKUZVHGIY-HFZDXXHNSA-N 436.600 4.844 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CC#N 1507796154 LEYVKMHHBCGIPY-YYDVJCTNSA-N 430.556 4.521 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1507826870 GYZJWQDNRFYIND-MRXNPFEDSA-N 431.378 4.597 30 10 IJEE C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1507830307 ADKUVDHOKXTFKR-SFHVURJKSA-N 430.325 4.826 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1507881336 NCOQEVZHLUYEGU-IPJJNNNSSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[C@@H]2CCCCO2)CC1 1507896506 GYNWCDOGKCDJDB-NRFANRHFSA-N 425.533 4.605 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCOC(C)(C)C)CC1 1507900861 YCKYSNBSYHDKSU-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1507919494 OBFVOMMPHFKANI-VXKWHMMOSA-N 437.632 4.749 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1507926437 FVJOSWKNBBFXBV-NRFANRHFSA-N 425.533 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1507974370 WYNPCZNIIZPKIL-IERDGZPVSA-N 437.371 4.602 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](c1cccnc1)C(C)C 1507985389 AXXLBWGKNZCDFO-NRFANRHFSA-N 425.964 4.968 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCSC1 1508000641 YQWGXZYYKOVGFZ-NRFANRHFSA-N 430.581 4.548 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CC[C@@H]1CCCCO1 1508000812 ZUXRIJPBQKNDRJ-QHCPKHFHSA-N 447.608 4.954 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1N(C)CCCC1(C)C 1508002358 GAIQCFDVPJNIRI-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCN1CCCC[C@H]1CC 1508013089 KUOJXSIGIPEJBN-JOCHJYFZSA-N 430.600 4.936 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCSC2(C)C)C1 1508117955 SUQVKINDILBFIW-IEBWSBKVSA-N 433.021 4.912 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC[C@@H](C)C2)cc1 1516302122 HFMFWMDXXRVJPF-FVJVTNMWSA-N 441.551 4.695 30 10 IJEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CCCCC1 1521566900 MDOWPUDKPNCDSR-UHFFFAOYSA-N 446.657 4.780 30 10 IJEE C#C[C@H](NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1 1525039183 RSLXJOOLQPJBDG-HNNXBMFYSA-N 439.224 4.697 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1CC)c1ccc(Cl)cc1 1528475768 YHKWVXNVFDXQTI-LJQANCHMSA-N 442.744 4.955 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(Cl)c(I)c1 1534732092 UOQYIHYZMPONCL-UHFFFAOYSA-N 429.660 4.912 30 10 IJEE C#CCC1(NC(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc23)CCOCC1 1535309010 HMHSXWSRJYNXBD-UHFFFAOYSA-N 449.348 4.967 30 10 IJEE C=CCn1c(SCC(=O)OCc2coc(C(C)C)n2)nnc1-c1ccc(Cl)cc1 1535382871 RVTAIVISJGYIFG-UHFFFAOYSA-N 432.933 4.731 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(Br)ccc2C(C)=O)cc1OC 1535434635 RFMLESIVGJPWMQ-UXBLZVDNSA-N 430.298 4.877 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)c21 1537419509 ZZXJYZUEAOLPOX-QGZVFWFLSA-N 446.429 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1539024532 WCHXXEXGFAOWTN-NZQKXSOJSA-N 433.625 4.534 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC(F)(F)F 1539104874 ROAIIQFTWCKJNS-UHFFFAOYSA-N 445.283 4.518 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCCN1CCCCCC1=O 1539659694 ILVWATULHAMMTD-UHFFFAOYSA-N 429.996 4.794 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1539854299 BWMGGDHCSLOGQQ-OAQYLSRUSA-N 425.577 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N(C)Cc1ccc(Br)s1 1539929626 YZMPBXQRLVAJSB-UHFFFAOYSA-N 427.412 4.877 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539982268 NIYSKWFRYCBMPL-UXHICEINSA-N 441.595 4.834 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C)c(C)s1)C1CC1 1540099166 RYGGIMVYJPDELO-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1540142550 MKDGVEGUTQTJMG-OPYAIIAOSA-N 430.618 4.977 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1540142595 MQGNHXZGQCQJGU-GHTZIAJQSA-N 440.617 4.528 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1Cc2ccccc2[C@@H]1C)C(C)C 1540151042 CAMPWRODEPAZOC-GBXCKJPGSA-N 443.599 4.515 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1 1540550033 GEUMIKUYMOTYFM-DEOSSOPVSA-N 445.950 4.795 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@H]2C)C1 1540885764 OXWCZSKSPXWJRH-UNWVZKJWSA-N 438.616 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@H](F)C2)C1 1540886416 CPPOOZPWMNOIHK-BPQIPLTHSA-N 434.943 4.527 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CCC(C)CC2)cc1 1543086595 LZFACQHXYPFSAU-FQEVSTJZSA-N 435.996 4.893 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccccc3Oc3ccccc3)n[nH]2)c1C 1544388750 QPELAESSVNAXRP-UHFFFAOYSA-N 427.508 4.798 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 1556797377 WZEGCIFSHMKNKV-DEOSSOPVSA-N 443.547 4.617 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2C)nnc1-c1cccc(Cl)c1 1559391245 URSXXIVTIFNTCU-INIZCTEOSA-N 426.973 4.890 30 10 IJEE C#CC[C@@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1ccccc1 1559702044 IUSZQZBCBCOUSC-FYYLOGMGSA-N 431.923 4.965 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cnn(C2CCCC2)c1 1561222060 DJTKTIDLJQZKDP-UHFFFAOYSA-N 438.528 4.713 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 1564343892 DMURUSRKTHTOLB-XMMPIXPASA-N 445.954 4.664 30 10 IJEE Cc1csc([C@](O)(CC(=O)Nc2cc(C(F)(F)F)c(F)cc2C)C(F)(F)F)n1 1569999258 FQGMCTBTZLAMDO-CQSZACIVSA-N 430.345 4.697 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C(C)C 1585129067 OUZGURYYVROGEW-REWPJTCUSA-N 441.616 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 1585692425 AHGLIHJRADJTKO-HSZRJFAPSA-N 425.460 4.638 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)NCCc3ccc(C#N)cc3)c2)cc1 1586145311 FHQCLTWLQASPHR-UHFFFAOYSA-N 426.516 4.631 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN(C)C1CCCCC1 1587567113 BNEUOEDEGDTFDR-JOCHJYFZSA-N 433.644 4.861 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCSC1 1587786899 CSQPBYDMQUHBGZ-FQEVSTJZSA-N 426.630 4.900 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(OC2CCCCC2)c1 1587926959 NOVLCMSNEVKHHV-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](C(=O)OC)C1 1589715172 FPWDPDHBGZGLHN-AWEZNQCLSA-N 430.961 4.779 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1594208395 GXLIXYTVNFOFSF-UHFFFAOYSA-N 444.482 4.907 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CCC2)CC1 1594209436 WONFBXPCCKMPML-HKBQPEDESA-N 440.657 4.946 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)c1 1594485966 GIZFUALGYAGWJF-GOSISDBHSA-N 441.314 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 1594520896 FTMDCUCSCNTUKD-UHFFFAOYSA-N 434.632 4.804 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H]1CC 1594720334 JLYLTVHAHUASTM-RBUKOAKNSA-N 434.588 4.827 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1594744310 NIZWUYOWXBINQI-UHFFFAOYSA-N 438.938 4.912 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1594857991 VMRRDMJTHQPXCZ-KNQAVFIVSA-N 441.595 4.977 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCS1)C1CC1 1595038350 UXXNHZBFXAKKTO-OAHLLOKOSA-N 437.382 4.897 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br 1597192085 ZCSBIILMWPMDDF-KRWDZBQOSA-N 428.305 4.691 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)co2)nc2cc(-c3ccccc3)sc2c1=O 1613381110 XMCKIHOTYKAXAQ-UHFFFAOYSA-N 438.530 4.983 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnc(Br)c(Br)c1)c1ccc(Cl)cc1 1623226699 GMRSGGYHMGGFLX-CYBMUJFWSA-N 443.526 4.756 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)c1ccccc1 1623527498 AGBBLBMRQCWMGG-PKOBYXMFSA-N 427.342 4.626 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1625241151 VLMINPJEFFZHTJ-UHFFFAOYSA-N 443.588 4.748 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)c1 1627618757 ZVAZNHAJBHMGLL-UHFFFAOYSA-N 446.553 4.759 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1ccc(Br)cc1 1630023102 IDUWMWBNHPETQA-HNNXBMFYSA-N 445.785 4.836 30 10 IJEE CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1632714634 AUTQVEJQSHUJOC-SFHVURJKSA-N 447.560 4.868 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 1634541993 AZGBOJWNMAAELR-HXUWFJFHSA-N 429.561 4.524 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1640397081 GINJQINQIDMJAV-DENIHFKCSA-N 426.582 4.969 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C 1641729629 SYNFOARUGMIXFV-PWIZWCRZSA-N 436.980 4.878 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCC(=O)Nc1ccccc1C#N 1642401256 JWSZTMKDIFNGME-UHFFFAOYSA-N 442.313 4.633 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)Cc2ccc(F)c(Cl)c2)n(-c2ccc(F)cc2)c1C 1642712400 GZTJXTKCBCPXJE-UHFFFAOYSA-N 442.897 4.968 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1ccc2[nH]ccc2c1 1645314388 FNSNINYRPGSMSR-UHFFFAOYSA-N 425.536 4.971 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cccc3c2OC(C)(C)CC3)nnc1-c1ccco1 1646157388 PDHWPRBDAWKWDY-UHFFFAOYSA-N 438.553 4.949 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n[nH]1 1648863209 CAQJIIMQYYROQQ-UHFFFAOYSA-N 433.537 4.562 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(-c2ccccc2)nc1C 1651902122 ZEFFTDMJILPIMC-MRXNPFEDSA-N 435.977 4.771 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1nnc(C(F)(F)F)s1 1654924043 ANDQFEWCABJARW-UHFFFAOYSA-N 433.868 4.718 30 10 IJEE C=CCCC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 1656055653 JVAXORIBBWZWLP-UHFFFAOYSA-N 440.590 4.962 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1OC 1657957677 IWHZCTZDSDGGLF-NRFANRHFSA-N 446.378 4.949 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 1667785606 FABGMMYCSFLLJD-UHFFFAOYSA-N 435.568 4.999 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2)c1C#N 1668622633 FRCOGHILVJTUQF-HXUWFJFHSA-N 444.004 4.740 30 10 IJEE C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 1669072643 HKNGSAYMKLYSTM-NDEPHWFRSA-N 442.559 4.797 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2nccc(C)n2)cc1)c1ccc(Br)cc1 1669320987 QUULWMPXYKNSHL-IBGZPJMESA-N 437.297 4.836 30 10 IJEE COc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1669880943 IAYVZBQIWLXPAA-FQEVSTJZSA-N 429.524 4.859 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 1673582340 XBCFFKYYFVELEJ-YMPZKCBVSA-N 427.589 4.606 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1680515175 JYIJWPAFHCPIPC-IEBWSBKVSA-N 444.375 4.519 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1c(Br)cncc1Br 1681325703 ITYKEPZCHSUGEZ-ABAIWWIYSA-N 431.172 4.541 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC([C@]2(C)COC(=O)N2)CC1)c1ccc(C(F)(F)F)cc1 1685820509 XOOLPSCCVLRBHB-NQIIRXRSSA-N 439.478 4.633 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1686525376 JDXOGXVOKPGQIS-AREMUKBSSA-N 443.978 4.938 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1nccs1 1689838198 UZEDZUYPBUMHMR-OAHLLOKOSA-N 437.569 4.970 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1CC(c2ccccc2)C1 1690039973 ZLESQJPFZDPYMW-UHFFFAOYSA-N 429.955 4.650 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCn1ccnc1C 1690063696 MHXQFEGBYNGAKU-SFHVURJKSA-N 436.629 4.576 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCc1scnc1C 1690091523 WJMPEHFTORFVSH-UHFFFAOYSA-N 425.577 4.653 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1690159446 AYZTXBRHIZVLHZ-HNNXBMFYSA-N 428.911 4.744 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccccc1 1690185655 CAINKFUTSCIWRZ-HMXCVIKNSA-N 426.630 4.761 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1 1690347647 LOCOKCUSMIWVNK-IBGZPJMESA-N 448.901 4.981 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)[C@@H](C)CC)CC1 1690399270 RYQOEGBEZOZLQY-RBUKOAKNSA-N 429.584 4.690 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCSCC(F)(F)F)CC1 1690415264 FKZWDAZJHZJSRG-UHFFFAOYSA-N 444.498 4.694 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1690430887 VZUHOUACEHFPDH-WOJBJXKFSA-N 441.595 4.629 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC(N2CCCC2=O)CC1)c1ccccc1 1690442254 PGMBKJJVAFHVHR-UNMCSNQZSA-N 435.616 4.743 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2CCCC[C@@H]2C1 1690491803 JJFVJKWUFIEWFY-JOCHJYFZSA-N 437.632 4.930 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 1690500233 OTWHYHPYJHMVCK-GJZGRUSLSA-N 437.357 4.532 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1Cc1ccc2sccc2c1 1690603677 GRENMJYTHNLUMN-UHFFFAOYSA-N 449.580 4.507 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCC1(F)F 1691001182 DVPKLJXGWQFUIG-HKUYNNGSSA-N 439.514 4.552 30 10 IJEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1692336937 GVIZIVFCRNMSDO-XMMPIXPASA-N 435.597 4.801 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)C1 1693662712 AYWBVYOFBYUWIB-IECBHUPTSA-N 441.023 4.849 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)c1ncc(C)s1 1705503602 ZSYLUOWOSDVPIX-HUUCEWRRSA-N 429.977 4.537 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](COC)C1 1705510287 WXQWGONVIKAIMC-MOPGFXCFSA-N 426.630 4.798 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(-c2ccsc2)nc1 1705577041 USLGGRUZTWCJBK-UHFFFAOYSA-N 443.963 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN1C1CCCCC1 1705592818 VHUPZEHNCFGCIN-AREMUKBSSA-N 443.639 4.768 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccco1)N(CC)CC 1705609151 RUYYLSKSQVRCKG-FQEVSTJZSA-N 425.964 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@](C)(O)CCC 1705670796 JOKGNAAOJWMGGY-CLJLJLNGSA-N 448.567 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(C)s1 1705701111 CMHMZADBSNHQTM-CVDCTZTESA-N 440.588 4.996 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC1CC(F)(F)C1 1705709872 SLLQAAYNIRZOIW-KNQAVFIVSA-N 446.542 4.628 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705745110 AITSFSRDCGQXSL-NHCUHLMSSA-N 439.995 4.622 30 10 IJEE C=C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[C@H](OC)C(F)(F)F)CC1 1705764205 RANNMWHKMUDWKL-IBGZPJMESA-N 434.506 4.872 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2(OC)CCC2)CC1 1705775677 JCSFOTFNBZUGKX-UHFFFAOYSA-N 437.588 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC1CC(F)(F)C1 1705794053 TVTGAUBKKHXNPV-UHFFFAOYSA-N 428.531 4.600 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705813343 DOIWVYMYSJFNCR-FQEVSTJZSA-N 425.577 4.577 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705949212 RUCXHHPGFRTHKX-CTNGQTDRSA-N 444.670 4.803 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(C)(C)C)cn1 1710024837 GEEAKZUKXOIUNW-UHFFFAOYSA-N 431.588 4.589 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@](C)(CC)O1 1722283091 QHPMCRSMTKMHNL-HTZUNMPGSA-N 449.368 4.652 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1722327628 ROFFIYSWTQSNQA-YJBOKZPZSA-N 429.362 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CC 1722475814 WRZKETBXGVKWHD-MHECFPHRSA-N 429.609 4.778 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1722524796 RDNFTAUAJFQHTN-QFIPXVFZSA-N 437.632 4.930 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2c(C)noc2C)CC1 1722570210 XKTJQKOLJSCVDM-MRXNPFEDSA-N 425.508 4.561 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Nc2cccnn2)CC1 1722598117 XSVAURWUAJOXKG-UHFFFAOYSA-N 437.979 4.826 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722620891 TVFUCZWCEIWKPZ-DRLORSAXSA-N 438.616 4.569 30 10 IJEE C=CCn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722689368 PJCCWDDNQUFHPO-BHYGNILZSA-N 447.530 4.710 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)c2nccs2)cc1 1724449996 GKSHGYNYUMQDCM-IAGOWNOFSA-N 426.615 4.877 30 10 IJEE CCN(Cc1nc(O)c2sccc2n1)c1nnc(-c2ccc(C#N)cc2)n1CCC(C)C 1728452822 GWQSMLLSTNJYCK-UHFFFAOYSA-N 447.568 4.600 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC1CCCC1 1728898977 AOTOWPBZXFXHJN-XMMPIXPASA-N 441.551 4.668 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740570334 PFHMYENXNOJWRE-NQIIRXRSSA-N 433.383 4.777 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740859135 HIXHOMOPMPTCAO-NRFANRHFSA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc(-c2cccc3cccnc23)n1CC[C@H](OC)C(F)(F)F)C1CC1 1740909105 XUUCQSXBGIJJIF-SFHVURJKSA-N 431.462 4.616 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cc(C)oc1C 1740921070 KHLGEJONPMGLEP-RUZDIDTESA-N 449.530 4.722 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCC2CC2)CC1 1740998325 MTQHHVJCDVGRCQ-UHFFFAOYSA-N 433.021 4.913 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(OC)C1 1741000562 SKKNZGPMRSAADP-QHCPKHFHSA-N 439.585 4.525 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCc1sccc1C 1748658375 QRSHQNPISMWSIR-SFHVURJKSA-N 438.597 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1nc(C(F)(F)F)cs1 1748665514 RREVMTMOEKERMI-ZDUSSCGKSA-N 444.486 4.602 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCO[C@@H]1C(C)C 1748773643 ALPFWNKNWNPNFK-DNVCBOLYSA-N 428.989 4.944 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Cc2ccccc2)CC1 1748902248 JHWBIQOFXPPFNR-DNQXCXABSA-N 444.623 4.683 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)C(C)(C)C1 1749029576 SVJHJWCCTVKYOC-MRXNPFEDSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCCN1CCCC 1749073144 IJZKNKRGUMDUJO-WNCULLNHSA-N 449.643 4.812 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCSC(F)(F)F 1749078308 IBGAPAURCNQTBI-GOSISDBHSA-N 444.910 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1749127990 QKRKPOFKEHEVCU-KNQAVFIVSA-N 428.552 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCC[C@@H]1C 1749146311 CCIIXRXNDXJEOG-LIRRHRJNSA-N 439.423 4.723 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1749175328 DUPWOYASSJRMIW-YTQUADARSA-N 426.561 4.562 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(CC)C1 1749217113 ZBOQVDFLFCFXEJ-NRFANRHFSA-N 433.394 4.927 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C 1749241662 QJJBERQHJARBLF-UXHICEINSA-N 447.624 4.568 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1749312379 KCLGQJANTYRVNC-FQEVSTJZSA-N 444.023 4.789 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cn(CCCC)nc2C)CC1 1749344018 YSMUHDNPHKPADX-UHFFFAOYSA-N 436.579 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1749352879 ZCIBPNGNFAVARN-IBGZPJMESA-N 439.604 4.753 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749420244 BLNZICREFZXTQN-UHFFFAOYSA-N 446.599 4.543 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1 1749550667 GPZOVUJIDOSJGU-UHFFFAOYSA-N 438.626 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1CCn1cc(C)cn1 1749553031 DQEWRAHANJJFDF-UHFFFAOYSA-N 432.597 4.637 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCSCC(C)C)C1 1749707321 VFMPWJPKPRHRCZ-IBGZPJMESA-N 439.629 4.607 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1C 1749810179 ALSGLVSBGINPSA-XMSQKQJNSA-N 433.556 4.807 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)s1 1750305532 COBGUEAAAKAHJR-INIZCTEOSA-N 441.626 4.725 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C[C@H]1C 1752387190 CIQBFRJQXIPDFR-IAGOWNOFSA-N 429.515 4.646 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1sc(C)nc1C 1760173001 GHFVMILKEOMBLB-AWEZNQCLSA-N 425.627 4.517 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOCC(C)C 1760196713 RIYROZWHXCQICN-UHFFFAOYSA-N 441.000 4.949 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(C)c2C)CC1 1760308391 CRCNIOGGPIPPBP-UHFFFAOYSA-N 446.437 4.719 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCSC(C)(C)C1 1760318411 NYCIQWCFLBSDMW-LEWJYISDSA-N 426.630 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCC)CC1 1760320056 RWRHFYKSHAVMAR-HJOGWXRNSA-N 449.599 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)c(F)c1 1760324526 KJEPTJXEXGFROD-PGRDOPGGSA-N 444.551 4.826 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760344104 WGCIKIAJVYRABA-MSOLQXFVSA-N 443.567 4.790 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1760392570 VKLDPHLDYUKMLL-HXUWFJFHSA-N 437.632 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1760411385 KSORGANDWOAAMC-LJQANCHMSA-N 429.653 4.917 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C(F)F)c1 1760467934 AWBGOYVNMCNNAR-SFHVURJKSA-N 447.530 4.958 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](CC(C)C)N(C)C)C1CC1 1760469812 PHKLFMCTUNVRPL-FQEVSTJZSA-N 446.437 4.839 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1csc(CC)n1 1760487487 VVASIBSRRHUDSH-KRWDZBQOSA-N 443.642 4.688 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCc2cccnc21 1760497070 QJFNWZHPKIAQCY-JOCHJYFZSA-N 429.568 4.859 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CCc1nc(C)c(C)s1 1760498892 HZSJURZHOGKRTB-UHFFFAOYSA-N 444.608 4.891 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)=C(C)C1 1760533364 FCMJELLRIKOBSG-UHFFFAOYSA-N 435.597 4.793 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)C(F)(F)F)C1 1760545253 QQNNESPMAWBBAE-INIZCTEOSA-N 447.505 4.807 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1760565406 WQWKNEROIZNUNI-UHFFFAOYSA-N 427.618 4.547 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1763832680 DHIOBFJSIGZHCY-IBGZPJMESA-N 432.572 4.726 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1766153717 ANAKBEROXHUVBD-BJLQDIEVSA-N 440.661 4.744 30 10 IJEE N#CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2Br)CC1 1770746482 HFBWWGKKYPZHLZ-UHFFFAOYSA-N 428.378 4.562 30 10 IJEE COc1ccc(C=NN=C2S/C(=C/c3ccccc3OC)C(=O)N2Cc2ccco2)cc1 1772757148 ANYXNCIZDGYOGM-HWVQBVCISA-N 447.516 4.803 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(O)c1)c1c(F)cc(F)cc1F 1862457248 LVRDHKGIRYKFPU-NRFANRHFSA-N 439.389 4.588 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccc(C)cc2)cc1 1862515811 VRAUZFBNPWCSNC-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCCn1ccnc1 1862659743 DPPZHPQRHNIZOC-XMMPIXPASA-N 443.547 4.984 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674826 VFJHNYJOVAZVMH-HSZRJFAPSA-N 431.463 4.742 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccs2)C1=O 1863109134 YFEAUQRQIFJPPJ-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2nccc3ccccc23)c(Br)c1 1865942407 NBERVKSKELVPKA-UHFFFAOYSA-N 431.087 4.884 30 10 IJEE CCCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccncc1 1870348453 YZOLEQBQQXMBCP-UHFFFAOYSA-N 444.579 4.754 30 10 IJEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CNc1ccc(Cl)cc1 1870800833 SRVRRWVHQWVYSP-UHFFFAOYSA-N 448.910 4.528 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870838808 VMFMBLGNJOWRKO-UHFFFAOYSA-N 429.605 4.648 30 10 IJEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(N(CC)CC)cc1C 1870987342 SYYAGFNEYBAKFN-UHFFFAOYSA-N 427.589 4.605 30 10 IJEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871010902 JUANULRKKJGBLF-UHFFFAOYSA-N 433.430 4.849 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871370452 MPKDJDWRKFZLBD-UUYOSTAYSA-N 436.847 4.949 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871371118 NLZVPWLJVWHXSE-NDENLUEZSA-N 446.371 4.647 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871823179 DMXSURWWZYXDIN-QHCPKHFHSA-N 428.598 4.932 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871852846 OAMQUIZIWRIMQM-JOCHJYFZSA-N 446.588 4.981 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872098863 MNTBQNSIDSPPIW-QHCPKHFHSA-N 439.581 4.625 30 10 IJEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(C2CCN(C)CC2)C1=O 1873121350 ZFPLPTPMPPWENU-UHFFFAOYSA-N 439.644 4.736 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873272012 BKUNQOXYWZNWIK-HSZRJFAPSA-N 449.510 4.596 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874342999 TYJFMTYLMKUCCC-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874486818 MASSOQHJYURHPY-AFUMVMLFSA-N 441.988 4.520 30 10 IJEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)ccc1[N+](=O)[O-] 1875147095 PGTFSIFTYNWMQA-ONNFQVAWSA-N 445.427 4.790 30 10 IJEE C=C(COCc1ccccc1)[C@H](CCOC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 1922076957 JJRJWANWEPWCBU-DEOSSOPVSA-N 446.632 4.934 30 10 IJEE CC(C)[C@@H]1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1937129522 FNRALHSFONIBQV-RXVVDRJESA-N 425.495 4.979 30 10 IJEE C#Cc1ccccc1C(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952754314 ZUFKTLYUSADERF-RUZDIDTESA-N 439.511 4.937 30 10 IJEE Cc1cc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc(C#N)n1 1959290894 ULOHIBVGBYPKHP-UHFFFAOYSA-N 428.492 4.534 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC2(CCC2)C1 1965605294 CQUCOBQZAORLOL-AWEZNQCLSA-N 438.341 4.734 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1976227525 PGKAFRZSHLOOSQ-UKRRQHHQSA-N 447.167 4.552 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(C#N)c(Cl)c1 2010516282 JJEFGXVBZOCVNO-IBGZPJMESA-N 443.931 4.650 30 10 IJEE CCCCCC#CC[C@@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024389388 ZQGDVAUSTCYAFQ-HSZRJFAPSA-N 427.633 4.847 30 10 IJEE C[C@@H]1CC[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@]1(C#N)NC1CC1 2055583366 IXEUPAMDKBAGTK-QPVYNBJUSA-N 430.640 4.824 30 10 IJEE CC[C@H](c1ccc(C)c(F)c1F)n1nc(C2CC2)c(C#N)c1I 2079893585 QTPPFJFVTXXYAN-CYBMUJFWSA-N 427.236 4.823 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)c(O)c1 2080043122 PVKRDERGJMIDES-IBGZPJMESA-N 434.334 4.825 30 10 IJEE N#Cc1c(C(F)F)nn2c(O)cc(-c3ccc(C(F)(F)F)cc3Br)nc12 2080822781 ZUXOSDPZFLKBIB-UHFFFAOYSA-N 433.134 4.692 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)c1ccnc2cc(B3OC(C)(C)C(C)(C)O3)cnc12 2116147096 YPZFQYWYHQDGBA-UHFFFAOYSA-N 431.389 4.982 30 10 IJEE N#C[C@]1(Nc2ccccc2Br)CN(Cc2ccccc2)C2(CCOCC2)C1 2156318080 HWHRGTVRNXJPJN-NRFANRHFSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2N1c1ccc(C#N)c(Br)c1F 2174766123 UPELPEWVWBDQAI-SNPRPXQTSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@](C)(C2CC2)C1 2174811762 BZGPQTSJJVGYOR-FQEVSTJZSA-N 438.341 4.686 30 10 IJEE CC(C)[C@@]1(C(=O)Nc2ccc(C#N)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2181132758 KAIAAEBCSHHBPU-HXUWFJFHSA-N 436.350 4.542 30 10 IJEE CSCC1(NC(=O)OC(C)(C)C)CC(Nc2ccc(Br)cc2C#N)C1 2222995112 MHQLVYXQCJHCGK-UHFFFAOYSA-N 426.380 4.522 30 10 IJEE N[C@H](C#Cc1ccc(Cl)cc1)c1ccc(I)c(Br)c1 2231097289 ZNNKVRLSEYJVRX-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1coc(CNC(=O)OC(C)(C)C)c1 2235720669 HUQLDNDSFLUEQG-IBGZPJMESA-N 433.346 4.769 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2235723269 BLQJFQPRFIVYJE-GGPKGHCWSA-N 435.406 4.862 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2261830575 YBDCNNXMDKRBSS-IRLDBZIGSA-N 447.572 4.655 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1C 2268159832 KXFOUJPLMYHPQC-NRFANRHFSA-N 448.567 4.501 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(N)C#Cc2ccc(Br)cc2)cc1 2296219815 RQWMZJLOXJKWIH-QFIPXVFZSA-N 429.358 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2C(=O)C#Cc1cccc(Br)c1 2296223225 ZZEOXLJFAPHHFD-QRVBRYPASA-N 432.358 4.795 30 10 IJEE COc1cc2c(cc1OC)C(=CC(=O)c1ccc(-n3nc(C)c(Cl)c3C)cc1)NCC2 2296262913 QQEONCKRLZCBCE-UHFFFAOYSA-N 437.927 4.529 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)c2ccccc21 2296285185 ZFPFAHCOFYOYIS-ICSRJNTNSA-N 428.326 4.700 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H](N)C#Cc1ccc(Br)cc1 2296297308 XLSDKEKAJMICLM-VQTJNVASSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(I)c(C)c1 2296304342 GFRYQRYNGFMDHD-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 2296606538 OOJPQTLQGWMMDN-UHFFFAOYSA-N 430.840 4.863 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296933258 ACZBLHXKIFAVBZ-HXUWFJFHSA-N 434.517 4.703 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2305317189 SQCXMSKYWTVHHG-UPUUWEMXSA-N 428.573 4.601 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccccc1Cl)c1ccccc1 2320895038 JCBADKHMGQTRNE-OAHLLOKOSA-N 439.972 4.661 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(OCC)cc2)cc1 2322193451 WQLCCRJLOJTMAU-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OCCO)c(Br)c1 2324534942 QZIPIALSXHYAAO-UHFFFAOYSA-N 425.706 4.687 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)[C@@H]1CCCO1 2325752197 FWTLLPUJHQHHOW-QHCPKHFHSA-N 438.520 4.982 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(OCCC)cc1 2328499509 HLDKHMDYSYUQAH-UHFFFAOYSA-N 437.525 4.726 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccn2C)cc1 2329252524 HNIAKTUSRSAJFU-UHFFFAOYSA-N 431.565 4.699 30 10 IJEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1cc(OC)c(OC)cc1OC 2330268197 OPQXZNNVUGSLFZ-UHFFFAOYSA-N 444.601 4.977 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2Cl)cc1 2330935648 VPBIETPHKNAXHV-SFHVURJKSA-N 443.916 4.866 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccn2C)c(C)c1 2331100837 ONNPFNYMTLDHPZ-UHFFFAOYSA-N 436.585 4.504 30 10 IJEE CCSc1nnc(-c2ccco2)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331194207 WEKSNYUNEYSORS-UHFFFAOYSA-N 448.504 4.760 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1C 2331835221 TVTOMXHPCRIKFP-HXUWFJFHSA-N 444.911 4.955 30 10 IJEE Cc1cc(C#N)ccc1OCc1cc(I)ccc1Br 2341777699 BHJDEOOOBPGSKT-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE C=C([C@@H](OCCC(=O)O)c1sc(Cl)cc1I)C(F)(F)F 2366719735 CHFDYZLOHJJQRL-SECBINFHSA-N 440.608 4.657 30 10 IJEE Cc1ccc(C/N=C(/Nc2ccc(C(=O)O)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1 21046351 CNMFKSCOJPRKAS-UHFFFAOYSA-N 446.526 4.623 30 10 IJEE CCOc1cc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)ccc1O 21349686 PZJBSGHRXXQJNY-IQMFZBJNSA-N 432.476 4.751 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)c1 33438525 UXANZOREUFAROO-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C(C)C)c(OCC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(F)cc3)c2O)c1 38623925 DPKLWXUDLCMVJG-UHFFFAOYSA-N 448.494 4.615 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)c3oc4cc(C)cc(C)c4c3C)c(C)c(C#N)c2=O)cc1 38624492 PORYGHJKOPTEKJ-UHFFFAOYSA-N 440.499 4.993 30 10 IJEE O=C(Nc1ccccc1Cl)N1CCC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96309830 JBUGMVLZCYZNMC-QHCPKHFHSA-N 438.963 4.980 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 103088706 JPFKERHAONOHLX-LCPUNJGISA-N 446.484 4.914 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc(Cl)c1OCC 169913659 LMWTVVOMNIFIEM-FMCGGJTJSA-N 434.924 4.630 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922052 FTIUOPIRSBDIMC-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2O)c1 169931975 MUCYNSMIKRATMV-QHCPKHFHSA-N 441.439 4.930 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccco2)c1 170099183 BEJUHASFCQJQFJ-FQEVSTJZSA-N 431.423 4.695 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2sccc2C)cc1 170105983 ZUTPOLRJUJWGMU-OAQYLSRUSA-N 447.512 4.783 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(C)c2)cc1C 170144086 WHWYMRLEGVPGDR-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(OC(C)C)c1 170153101 HYWYAIDNFSDZNA-NRFANRHFSA-N 438.480 4.760 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)ccc1Br 170188022 OCYMLINKLYVIEQ-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)c(OC)cc1Cl 170233884 GCGFGNRIDLPSCN-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)cc1 170235975 QKGJQXAYWUBSOZ-QFIPXVFZSA-N 434.923 4.633 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)cc1 170248877 RFYOZNABYSEYBW-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)cc1C 170296904 JIODRJIDTXHAQL-HSZRJFAPSA-N 449.478 4.865 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(C)o2)c1 170297785 WHGCOSJBLDBXQP-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(=NNC(=S)Nc3ccccc3C)c3ccccc32)c1 254826098 UWRYCFHGDHCICH-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cncc(Br)c1)NCCC 406470783 LBKBXGZYMPZNPB-ROUUACIJSA-N 426.399 4.614 30 10 IJEE N#CCC[C@H](NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 438865074 FJXLZYNKURLXGM-RBBKRZOGSA-N 436.943 4.842 30 10 IJEE C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc(C#N)cc2Cl)CC1 444774165 HLUZBOYZEIPJDP-AWEZNQCLSA-N 428.323 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCCO[C@H](C)C1 460780754 DPKHEBQNUHPVGV-LJQANCHMSA-N 436.531 4.855 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1cccc(OC)c1 479934157 TZMJPISEYPODEZ-UHFFFAOYSA-N 444.354 4.877 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCCc2cccc3ccccc23)nnc1-c1ccco1 480794805 CJYCWNIZNUSULW-UHFFFAOYSA-N 432.549 4.718 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](COCc2ccccc2)C1 508489985 PHAHZJXXNKMNEZ-OAQYLSRUSA-N 427.552 4.666 30 10 IJEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 508813986 RNRJIZDTKUVBHN-HXUWFJFHSA-N 439.441 4.599 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)Cc1cccc(Br)c1 519880231 KGYRJLCGPIVBIB-HNNXBMFYSA-N 432.318 4.686 30 10 IJEE COc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1OC 526520811 KLRMEFZQMSBMFY-QFIPXVFZSA-N 430.435 4.772 30 10 IJEE CCOc1ccc(/C=N\n2cnnc2SCc2ccccc2F)cc1Br 526802490 IWVNWICOOVSPLI-YVNNLAQVSA-N 435.322 4.753 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 535114304 AVZJKBHSKIWFPA-SFTDATJTSA-N 446.910 4.530 30 10 IJEE CSc1nc(O)c(C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)cc1C#N 536999754 ZZXUDRMXLXVVAB-UHFFFAOYSA-N 425.510 4.601 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 549271366 GHHBLHLNHQSJGZ-INIZCTEOSA-N 428.993 4.527 30 10 IJEE C=CCC[C@H](NC(=O)C(=O)NCc1ccc(-c2csc(C)n2)s1)c1ccccc1 550510691 SIJICWUKHOBTHA-SFHVURJKSA-N 425.579 4.620 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 555269732 TUMUGHSLYIZJSM-GBXCKJPGSA-N 432.568 4.614 30 10 IJEE C=C(CC(=O)c1ccc2cc[nH]c2c1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585825919 MRRXMRMJIWRYJS-UHFFFAOYSA-N 444.579 4.740 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@H]2CNCC[C@H]2NC(=O)c2ccc(-n3cccc3)cc2)cc1 585837933 SEGBCQVXFKGYTA-QYQQVMFESA-N 441.575 4.591 30 10 IJEE N#CCc1cccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687753071 BQFPYVBOEPMLQX-DEOSSOPVSA-N 426.472 4.807 30 10 IJEE C=CC[C@@H]1CCCCN(C(=O)c2ccc(I)c(Br)c2)C1 721367217 XOCQRBMIFNJXFJ-GFCCVEGCSA-N 448.142 4.872 30 10 IJEE CCCCCCCCCNC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 727598380 AKXLSKMDOGOYOH-GOSISDBHSA-N 443.588 4.761 30 10 IJEE C#CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 733247894 FEPRSQKGNIRJLR-UHFFFAOYSA-N 445.375 4.532 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(CN3CCCC3)CC2)c1=S 738071813 QDVLFELJRVYMBH-UHFFFAOYSA-N 432.037 4.686 30 10 IJEE COc1ccc(CN(C(=O)CSCc2cc(Cl)ccc2OCC#N)C2CC2)cc1 747847974 ZJMMZYCXVHDFNN-UHFFFAOYSA-N 430.957 4.675 30 10 IJEE O=C(Nc1ccc(NC(=O)[C@H](F)C(F)(F)F)c(C(F)(F)F)c1)c1ccc(F)cc1 788127257 APMVSJUSNKFZRK-ZDUSSCGKSA-N 426.263 4.936 30 10 IJEE COc1ccccc1N=C1S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1C 1083899978 GYBKZXFNXADZJW-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)n1nnc(-c2ccccc2)n1 1124169342 HOASXPOKAQYEGA-ZBFHGGJFSA-N 434.569 4.624 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)s1 1126463588 LXWLRCNJVGFWBX-KRWDZBQOSA-N 436.046 4.932 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(F)c(F)c1 1128249099 MSQSMYWQNRWWFV-KRWDZBQOSA-N 425.229 4.991 30 10 IJEE N#Cc1ccc(C(=O)NCC(=O)NCC2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 1151367893 AVBIWAUORFKZLR-UHFFFAOYSA-N 444.362 4.613 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2ccc(C)cc2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1155367215 NIEULXTYOZYGLO-UHFFFAOYSA-N 449.551 4.657 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1184893877 ATIKQRDJKYKMMW-UHFFFAOYSA-N 441.373 4.724 30 10 IJEE C=CCn1c(SCCc2cccc3c2OC(F)(F)O3)nc2cc(Cl)ccc2c1=O 1187995231 NQZIKSAUYBDLSE-UHFFFAOYSA-N 436.867 4.892 30 10 IJEE C#Cc1ccc(S(=O)(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1 1193859308 HSJPXKNBXRCDNN-FQEVSTJZSA-N 425.447 4.612 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1200402503 IDBIIYSNOXOJRA-OAQYLSRUSA-N 442.441 4.926 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1233928508 QUKBFYYZIHPKNY-UNMCSNQZSA-N 448.485 4.895 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 1246899509 QPJJUEFRIZYHNT-NTKDMRAZSA-N 448.567 4.688 30 10 IJEE Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 1264187757 ICUAZIKVBBFKNH-UHFFFAOYSA-N 445.972 4.501 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCC(C)CC1 1286305683 OGACPIAFCDZYLD-LJQANCHMSA-N 446.064 4.804 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCCOC1CCCCC1 1286371213 IBVLZBIHKYOVPD-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(CC)C1 1286559216 VEQFVSAVLXEJDX-OZWPHOJSSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1-n1nc(C)cc1C 1286579951 WWJBJWXOUPHRQU-UHFFFAOYSA-N 441.583 4.517 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@H](OC)C1 1286603452 SVXHLAMFACOGIU-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCCC2(C)C)CC1 1286651172 VKIIMMRCRPYGTL-DEOSSOPVSA-N 442.629 4.677 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2cncn2)C1 1286666173 AQWZQROESHLROX-VXKWHMMOSA-N 433.604 4.855 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCOC2(CCC2)C1 1286675744 RSHVZRPAFZKUJU-UHFFFAOYSA-N 430.980 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(N(CC)CC2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286676596 OKPAFALOLLXLMV-KDURUIRLSA-N 431.625 4.887 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286682861 WSBOIDYOBLXKIQ-SFHVURJKSA-N 441.645 4.689 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1CC(OC(C)(C)C)C1 1286719910 MVOTYDFCYCZVMY-UHFFFAOYSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1286721688 CQRNGHHTUKOBAH-KNQAVFIVSA-N 434.588 4.594 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C(C)C)C1 1286764414 OTSVXYPEOLVTPF-JOCHJYFZSA-N 448.615 4.597 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCS[C@H](C(C)C)C2)cc1 1286794421 GGUBKRGSVQTOBA-QFIPXVFZSA-N 435.597 4.531 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1300370852 FTIXQZSFVZICSV-DEOSSOPVSA-N 425.665 4.763 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 1300395895 GQOBKEILDNYFNO-UHFFFAOYSA-N 438.524 4.604 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1300633641 MXNPHPOKDPLEEN-NHCUHLMSSA-N 446.643 4.566 30 10 IJEE C#CCONC(=O)c1cc(Cl)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 1300675896 XAAMYSVPPRFLTN-UHFFFAOYSA-N 446.890 4.996 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1300755118 LVXYHXVKPWZNQI-QZTJIDSGSA-N 439.654 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccccc1CN(C)C(C)C 1300807401 JYXXVNDMCIQOAN-AREMUKBSSA-N 447.652 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCC1CC(OC(C)(C)C)C1 1300921629 UTVLNWGQQKCCMD-UHFFFAOYSA-N 428.625 4.526 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC1COC(C)(C)OC1 1300937325 QWVINFPSWCDJLZ-UHFFFAOYSA-N 425.360 4.663 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1300971874 GWXLAAQOIDGBPY-SANMLTNESA-N 449.599 4.790 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1301162939 FJXOZVQAMXFIOC-UYAOXDASSA-N 435.538 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1cn(C)nc1-c1ccccc1 1301394090 JMAYELYMOQEJHN-UHFFFAOYSA-N 430.581 4.558 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1coc(-c2cccs2)n1 1301405557 SUCUFSSUABCNRG-UHFFFAOYSA-N 435.528 4.951 30 10 IJEE C=C(C)COc1cc(CNC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1OC 1308299284 GOBYDCNYMYLAIY-MJGOQNOKSA-N 434.577 4.500 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2)c1ccccc1 1309810964 VKGWUMLJHUMBKP-HXUWFJFHSA-N 432.973 4.625 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)C1 1314270455 GYQGHLUBIXKIBN-DNQXCXABSA-N 444.583 4.657 30 10 IJEE Cc1ccccc1-c1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)s1 1354885551 ACZODFMYZUGJRB-OAHLLOKOSA-N 436.924 4.635 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1358891949 POFBXHIEQVXFKG-QGZVFWFLSA-N 437.975 4.601 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H]1CCCN(CC(C)C)C1 1359016523 FEYFKSCUOYMYFD-QHCPKHFHSA-N 439.623 4.624 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1359127777 ABEVSQVCJVOKIZ-HOTGVXAUSA-N 449.368 4.674 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@](C)(OC)C1 1359128772 FQUALMYDUUTXON-VWLOTQADSA-N 426.605 4.841 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1359211970 VINVGRMERVWNSU-UHFFFAOYSA-N 436.991 4.903 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1ccc(C#N)o1 1359256973 WCNBZKUCGJHHSS-UHFFFAOYSA-N 426.524 4.588 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1cnn(C)c1C 1359276701 NAENLENIVRVNAH-UHFFFAOYSA-N 436.947 4.517 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(Cl)c1 1359277286 HNHUMJPMBNZBJX-LJQANCHMSA-N 426.948 4.702 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1cc(Br)cs1 1359280049 BYDHGBRMQKFXCB-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2=O)cc1 1435312339 HSVGDGAISKFOID-FQEVSTJZSA-N 443.478 4.785 30 10 IJEE C=CCN(C(=O)c1ccc(-c2cccc(C)c2)n1C)[C@H](Cc1ccccc1)C(=O)OCC 1435899048 CBENFPNDSRHGAQ-RUZDIDTESA-N 430.548 4.803 30 10 IJEE C#CC[C@]1(C(=O)N(C)c2nc3c(Cl)cccc3s2)CCCN1C(=O)OC(C)(C)C 1436147516 CSEKIHJSBRTFIE-OAQYLSRUSA-N 433.961 4.706 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 1438146233 HCHSVBCBNJYCBI-BIZYMNTOSA-N 440.543 4.888 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CCCCC1 1441808725 HBUJTGKVCBJXIT-MRXNPFEDSA-N 434.378 4.548 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC 1443758146 DJXXCKWJRNJQHO-FPOVZHCZSA-N 444.959 4.937 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(Br)cc1C 1448049017 MNVUFNRMAAQBPW-AWEZNQCLSA-N 435.721 4.871 30 10 IJEE C[C@@H]1[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCCN1C(=O)OC(C)(C)C 1451736844 GCHVBTCEZQFGEA-WZONZLPQSA-N 449.551 4.655 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 1455925066 IYGQIHPURBKGHN-UHFFFAOYSA-N 442.581 4.847 30 10 IJEE CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1c(Br)cccc1C#N 1458163970 DOODXVCRJSIQNM-UHFFFAOYSA-N 427.321 4.929 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)nnc1-c1ccc(Cl)cc1 1458673778 UZNHDMPBOZOROE-ROUUACIJSA-N 449.020 4.585 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1OCCOCC 1464751732 IBFYIKLPNXJFJZ-MRXNPFEDSA-N 447.359 4.730 30 10 IJEE COc1ccccc1OC[C@H](C)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1466176784 BTDJYFRWJWDDHG-LJQANCHMSA-N 430.504 4.591 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3)cc21 1467381376 JGZUBXOFTPTROD-UHFFFAOYSA-N 435.528 4.569 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)CC1 1469111453 APUSOZFEUASNGP-OAQYLSRUSA-N 432.536 4.889 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 1470785663 BYWNFDZFDPYPPV-AZUAARDMSA-N 425.598 4.812 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 1470903769 FSRLIROVZNVGKA-VQTJNVASSA-N 433.568 4.820 30 10 IJEE COc1cc(C#N)ccc1OCCN1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 1473243321 HCQXHQCKTGJVCD-HXUWFJFHSA-N 441.531 4.635 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1OC 1474165147 GXOPTYPVFZMHTP-LJQANCHMSA-N 436.980 4.793 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 1474616165 IVWBPTCULSTQLN-UHFFFAOYSA-N 449.526 4.889 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)c1ccc(Br)cc1 1475874008 SUJGLHSQEPZPBI-KDOFPFPSSA-N 447.402 4.634 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1476149672 DFLIWAPLDUXXLD-MAUKXSAKSA-N 432.590 4.990 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)CC1 1476852246 BUNWGNLNKPNOEC-UHFFFAOYSA-N 426.373 4.674 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1505227893 DVMSDANWQBAKLW-HSALFYBXSA-N 440.661 4.515 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@](C)(CC)C1 1507593612 RREVKJCMKKYQLN-XMMPIXPASA-N 445.007 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](COCC)C1 1507807584 RVCAWSHPTLVVOF-BUZMGHMJSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(F)F 1507810994 ZLOADRVWJAIVIG-AVRDEDQJSA-N 434.531 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)[C@H](C)CC 1507823061 CILJYLKNVKHADP-AABGKKOBSA-N 449.640 4.814 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(Cl)s1 1507846397 KRFWOIRQYFXBQR-UHFFFAOYSA-N 434.968 4.952 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1507941002 CDLLNNPDUPJFSV-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1)C1CC1 1507996337 VXPUBPZQJZXOFX-JOCHJYFZSA-N 444.988 4.635 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1CCC(OC)CC1 1508009367 ZYMSXWDVPLLFJQ-IOJLRTSASA-N 430.618 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1508013554 GGQGDTSKJARENR-UHFFFAOYSA-N 446.555 4.914 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1508106353 XLHOTRYWOHKYPM-QGZVFWFLSA-N 425.602 4.978 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 1508168031 MWKVIWIMLPCFHS-GVDBMIGSSA-N 446.583 4.895 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)c1ccccc1 1519279716 BEIFUUBYVVWVGF-IBGZPJMESA-N 444.373 4.759 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2cc(Br)ccc2OC)n1)c1ccccc1 1529738476 YJBXTSIYCBJJAH-INIZCTEOSA-N 427.323 4.686 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)cc1 1532130213 KXRRUNPMJKSASI-BVSLBCMMSA-N 428.573 4.683 30 10 IJEE COC(=O)c1cc(F)ccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1533829660 DXNJVPSISSCZTE-UHFFFAOYSA-N 439.283 4.667 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H](n2cccn2)C(F)(F)F)cc1 1534460435 AWXLHAGHBKNUMK-HXUWFJFHSA-N 428.414 4.660 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC2CC(C)(C)C2)c1 1538798970 ZNGKPXOFCPJGPE-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1539053528 UMIALJRNHJVDJL-GUGJDKNPSA-N 442.991 4.594 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](c1cccs1)N(C)C 1539147982 LPQMMFFDQIKBNO-QFBILLFUSA-N 444.004 4.505 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1539371212 QQFFVJFOECGOTE-LSDHHAIUSA-N 426.433 4.900 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1539684951 OMGRJLIBCVDAKU-NRFANRHFSA-N 436.991 4.771 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2ccccc2C)CC1 1539894530 KHIDYYBQOLINSX-GOSISDBHSA-N 437.613 4.812 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539905703 FFGZGHYSBIDELK-HXUWFJFHSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCCN1CCCCC1=O 1540135931 DBOQXJLIHHEQPO-UHFFFAOYSA-N 439.579 4.670 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 1540360451 RMJSTQJJSHYAMP-ZHZULCJRSA-N 437.952 4.782 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCc1nc(C(C)(C)C)cs1 1541427307 HVEWOZZLUHLIJE-UHFFFAOYSA-N 436.629 4.981 30 10 IJEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC(F)(F)C2)cc1 1554893311 AXCJOBAYECEZSJ-WMZHIEFXSA-N 443.542 4.637 30 10 IJEE CS[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1555856878 GYTJMHYGJMVRNI-XXBNENTESA-N 429.609 4.673 30 10 IJEE C[C@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1Cc1ccccc1 1556896986 BCKQJUMPXWGKQQ-FNZWTVRRSA-N 425.532 4.938 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)Cc1ccccc1F 1559495356 CXWRKDJWTFHOPP-UHFFFAOYSA-N 442.538 4.994 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cc1 1562197531 NPUCQHYZJXOBJS-QHCPKHFHSA-N 447.560 4.677 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 1562263069 GMQVSHMESHPAHU-UHFFFAOYSA-N 446.473 4.714 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC2CCN(C(C)C)CC2)cc1 1562303989 BAWUZYAXOQFXSF-UHFFFAOYSA-N 436.556 4.991 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 1566258605 KBNJPMSGCRITRI-KRWDZBQOSA-N 446.897 4.742 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C)CC2)c1 1583928331 GVGZRINFAMHVCP-GOSISDBHSA-N 447.000 4.984 30 10 IJEE CSCc1c(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)oc2ccccc12 1586240597 HGGPNJVOWZWKSS-UHFFFAOYSA-N 425.941 4.783 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1587746458 UQRGJOQAMMMDGF-UHFFFAOYSA-N 430.600 4.787 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccccc1OC 1587777969 XJOKGYOVKGUYGR-NRFANRHFSA-N 435.597 4.787 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 1587877369 PZZDAJLITFTBPB-SJBKTWHCSA-N 443.632 4.509 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCO[C@H]1CCCC[C@H]1C 1588011852 MLXMFIZDKLXJGP-GGAORHGYSA-N 438.616 4.954 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1589060730 XLXARKPBJWGIMF-UHFFFAOYSA-N 438.641 4.900 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1589367602 XCCCCJOSWBNJLG-UHFFFAOYSA-N 448.409 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1csc(C)c1 1589589307 DOWIRLXECMQVLE-UHFFFAOYSA-N 444.004 4.682 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@](C)(CC)C1 1593914131 BVYNNIDMXNDLFY-QHCPKHFHSA-N 432.996 4.912 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[C@@H](C)C1 1594628157 ZVWWNFLSBGAWTC-KDURUIRLSA-N 431.625 4.841 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1 1594727535 RGEJHFUHFWFPMA-AWEZNQCLSA-N 425.396 4.599 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@@H](F)C1 1595075907 NVFLLTVSKYAJEC-VWPQPMDRSA-N 428.552 4.859 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1nc(C)cs1 1595222455 ATCWDCAPENRBBT-HNNXBMFYSA-N 429.540 4.894 30 10 IJEE COc1cc(C)ccc1Oc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cn1 1595736290 BKXXQTVKXSNRSC-UHFFFAOYSA-N 444.491 4.810 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)C(=O)OCC 1596777793 LQANRYWDFQOMHZ-INIZCTEOSA-N 443.714 4.985 30 10 IJEE C=CCn1c(Sc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])nnc1-c1ccccc1C 1612096514 UFKDLGUCRVIHFN-ZRDIBKRKSA-N 436.493 4.685 30 10 IJEE CCCc1c(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cnn1-c1ccc(C)cc1 1623735869 ABNSJGRFKYFARC-UHFFFAOYSA-N 442.567 4.795 30 10 IJEE C=CCOc1ccc(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)cc1OC 1628375892 QXJJMIRHPLJUMU-CQSZACIVSA-N 436.371 4.933 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(CN2CCC(C)CC2)cc1 1630333964 SVDQVKUSEZTTID-UHFFFAOYSA-N 430.552 4.921 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](CF)C1 1633199775 RBTNZWFSYKRVNN-KOSHJBKYSA-N 436.527 4.678 30 10 IJEE C=C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC)c1ccccc1 1634874208 OVSLREQBDTXEQH-RBBKRZOGSA-N 436.552 4.785 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CC)Oc1cccc(Cl)c1 1635404199 UOCDEXSEKWVKJR-DOTOQJQBSA-N 431.360 4.650 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C[C@H]1C(=O)Nc2ccc(F)cc21 1636350257 FVRYTPPQMWHBRA-OAHLLOKOSA-N 448.338 4.948 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 1642712106 ZMXSPKONBYCNKI-QRVBRYPASA-N 440.943 4.675 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)c1ccc(Br)cc1 1645728467 YIMUWYOIBDIEAT-LRDDRELGSA-N 445.785 4.705 30 10 IJEE C=C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)C(=O)OC 1652447254 IGOKBBPZGFHYMW-QFIPXVFZSA-N 444.512 4.998 30 10 IJEE COc1ccc(-c2ccncc2)cc1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1657957662 IFRUZTABCGPOLK-DEOSSOPVSA-N 432.955 4.793 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](n2cccn2)C(F)(F)F)cc1OCC 1662950374 HJXIKPBFDKFCLU-MRXNPFEDSA-N 448.283 4.502 30 10 IJEE C#CC[C@@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC)c1ccccc1 1669003980 IMHXTFBUYLSSIR-AOYPEHQESA-N 444.531 4.866 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1669725327 MSQRJFRHHKERSL-QFIPXVFZSA-N 428.598 4.780 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc(OC)c1OC 1671012185 APISTSLVEXWPHC-UHFFFAOYSA-N 438.553 4.889 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC)C[C@H](O)c1ccc(C)cc1 1672209398 CLMVZTKGELRSKZ-IBGZPJMESA-N 433.346 4.910 30 10 IJEE C#CCN1CCC(NC(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(C)c2)CC1 1677722314 ZDIFMNHWJGIHRZ-UHFFFAOYSA-N 446.378 4.991 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl)C1CCN(C)CC1 1678192981 NJCPHUDSKKFJBZ-QHCPKHFHSA-N 427.951 4.616 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C 1678937415 HMLJYPNUOGLKGP-JOCHJYFZSA-N 449.551 4.773 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccccc1OC)C(C)C)c1ccc(Br)cc1 1680085136 NTAXYXGDMRLDEY-PMACEKPBSA-N 429.358 4.699 30 10 IJEE C=CCCCCCN(C)C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 1685459868 IFKXCCXUMXEJFC-IVHGUIJPSA-N 429.605 4.999 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCSCC(C)C 1689839308 FSYIFROYGDRMFG-CQSZACIVSA-N 439.398 4.694 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cscc1C 1689840153 TVDUCQJGAURLBR-CYBMUJFWSA-N 433.350 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1690264606 XZKAJODSWQYRGV-SFTDATJTSA-N 432.012 4.878 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CCSCC 1690276183 OETXDJQMAFHZQE-AWEZNQCLSA-N 426.428 4.590 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccco1 1690328168 GMTZNDWWRAJOJY-QGZVFWFLSA-N 446.338 4.549 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCC(=O)N1 1690447287 MIJYMXWBKDPVQG-IEBWSBKVSA-N 441.645 4.593 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1690472559 QBBKKEDAGDOIEE-GHTZIAJQSA-N 428.552 4.919 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1690497386 OPEPWLROPVOLLN-TZIWHRDSSA-N 442.604 4.631 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1690500422 VFKXMSGXAOICNH-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1690540797 BQVAHFYGEOQNPM-FXAWDEMLSA-N 429.996 4.990 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1690541257 UIFNDJFWCOWEPS-RXVVDRJESA-N 437.588 4.745 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCN1CC 1690605515 MQAHVCLAXKJJIA-QHCPKHFHSA-N 444.583 4.519 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1ncc(CC)s1 1705477915 UCIOQFFJLNUJEV-HKUYNNGSSA-N 437.613 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1705498529 ANJQQILRZJEOSO-ZJSXRUAMSA-N 447.652 4.691 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1705518228 NBPCXKSSICZUAN-HXUWFJFHSA-N 445.405 4.621 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC=CCC1 1705592395 JBRHXGXAVSEKGZ-IBGZPJMESA-N 437.385 4.835 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccc(C(F)(F)F)n1 1705608176 HCSPMGAORPNUKY-UHFFFAOYSA-N 437.828 4.659 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H](C)CC1 1705653328 FFTPZECSADIEAW-VQTJNVASSA-N 442.629 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)cc1C(F)(F)F 1705672428 XSDHCRRJGCUWGK-JOCHJYFZSA-N 443.448 4.847 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1705733079 HTVJEYIDILCEIN-UHFFFAOYSA-N 432.996 4.975 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705816783 RWAHGDXYTZIOMX-VWLOTQADSA-N 434.588 4.738 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1705822400 CUFJRASORINRDH-UHFFFAOYSA-N 425.621 4.690 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@H](F)C1)C1CC1 1705853682 DGQDCRUGVJSQIT-HKUYNNGSSA-N 447.599 4.686 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1705872094 KYGGZINSNWVCCH-RPWUZVMVSA-N 429.568 4.995 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc(Cn2cccn2)cc1 1705879009 JVSIKFZJWUGCMC-UHFFFAOYSA-N 444.583 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCSC2(C)C)C1 1705927946 JGKGYZBZXGKWLL-MTQWCTHYSA-N 448.677 4.510 30 10 IJEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)C1 1709695508 DARALUBFRHSHST-QHCPKHFHSA-N 434.632 4.955 30 10 IJEE CCOc1cc(Cn2c(CC(C)C)nnc2N2CCC(CC#N)CC2)ccc1OC(F)F 1710506268 HFWFYTIYRNGMRJ-UHFFFAOYSA-N 447.530 4.655 30 10 IJEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1 1712727079 ACVZQMCBHTZPTN-KRWDZBQOSA-N 433.537 4.961 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1ccccc1 1722309287 AOFFCFAALZZNKF-UHFFFAOYSA-N 426.362 4.866 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)Cc1csc(Br)c1 1722313027 OCTJYQYKDRRKRB-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722334908 NFALRMLLMHHDGG-QFIPXVFZSA-N 437.607 4.514 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1722344441 JPFPXLJSZMAOFX-INIZCTEOSA-N 433.503 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCc2cccnc21 1722391697 SCHXTENCBGGMPT-LOSJGSFVSA-N 437.591 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H](C)C1 1722401667 HAZOOTNAILDZTL-OALUTQOASA-N 443.016 4.502 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2ccccc2)C1 1722465060 WTSGHMWPNLBQKZ-BHDDXSALSA-N 438.641 4.557 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722611342 JVWJEKQZGLFSAH-QHCPKHFHSA-N 432.616 4.731 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cc(C)on1 1722623938 OETWOWGHBIVUJJ-MRXNPFEDSA-N 441.601 4.657 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N(C)C 1722661607 LCNHYVXLQQGYJK-SFHVURJKSA-N 432.597 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1nccn1C(F)F 1722666499 PCNWJVKAXLLIQQ-UHFFFAOYSA-N 449.303 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCC[C@H]1C 1722667657 HHIKXBVZWAXESZ-VGSWGCGISA-N 445.405 4.746 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1C(C)(C)C 1723793709 GRMBVYLAOWFGKX-PGRDOPGGSA-N 449.624 4.965 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCO[C@H]2C(C)C)c1C 1724057999 DQUJPILJFMFJBD-WQJYWUQFSA-N 439.604 4.834 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCSC1 1740663440 JDJXIHIVYSKSND-OAQYLSRUSA-N 433.625 4.955 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccc(C)s1 1740721369 GZHUSLYPWAODPD-UHFFFAOYSA-N 440.638 4.847 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CC[C@H](OCC)C(C)C 1740734050 PJBJPXHDELWHFS-JYFHCDHNSA-N 433.600 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC(CC)(CC)OC 1740734400 COJKAXIQUXDUSG-JOCHJYFZSA-N 430.980 4.708 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H]1c1ccco1 1740747876 ZCUATLIGIRSKPP-SFHVURJKSA-N 427.346 4.906 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1740753542 LDNPPICYKXOWGO-XLIONFOSSA-N 444.366 4.697 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1740782995 BMGRXVRXBIGVSD-OAQYLSRUSA-N 426.948 4.877 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](CC)OC)CC1 1740835618 NAVKXMQSPZGFQJ-SFHVURJKSA-N 433.394 4.843 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1740856046 YGFFJDYJYJIYAM-IRLDBZIGSA-N 437.632 4.846 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCSC1 1740856699 XIVAUPPAYLRCBA-DEOSSOPVSA-N 437.613 4.544 30 10 IJEE 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COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1C 1875108450 PRDHRJYKIPKHHJ-QPJJXVBHSA-N 432.432 4.731 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc4c(c3)[C@H](C)CCN4C)cc21 1890571562 QOWSMGCCMNVAFA-QGZVFWFLSA-N 433.552 4.820 30 10 IJEE N#Cc1cccc(N2CCN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)CC2)c1 1892327472 ZRMWYAFDIPPHRC-UHFFFAOYSA-N 429.495 4.771 30 10 IJEE C#CC1(Oc2ncc(Br)c3ccsc23)CCN(C(=O)OC(C)(C)C)CC1 1903209550 RKHYOGHZLSIVAQ-UHFFFAOYSA-N 437.359 4.841 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CC(C)(C)OC)NC(=O)OC(C)(C)C 1922092188 QIRIMTKNZRAHOM-FGZHOGPDSA-N 434.621 4.836 30 10 IJEE C=CCN(C[C@H](N)Cc1c(Br)cccc1Br)C(=O)OC(C)(C)C 1937828055 FCDMTBNTNLIBDR-GFCCVEGCSA-N 448.199 4.505 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]1C1CC1 2014635225 SNAZAUGVHGSMTB-KKSFZXQISA-N 434.541 4.606 30 10 IJEE O=C(O)CCn1cc(C=CC(=O)c2ccccc2)c(-c2ccc(Br)cc2)n1 2040469403 RLXSILDRJINLMU-UHFFFAOYSA-N 425.282 4.683 30 10 IJEE Cc1cc(C)c([C@H](C(C)C)n2nc(C)c(C=NO)c2I)c(C)c1 2079971713 KYYGLWRXHHGTGD-KRWDZBQOSA-N 425.314 4.775 30 10 IJEE FC(F)(F)C[C@H]1CSC(=NCc2c(Br)cccc2Br)N1 2150534128 VJBSVMDCQKYJDK-ZETCQYMHSA-N 432.103 4.725 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 2159126331 UEXOTSNBBQJZBU-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE COCC[C@]1(Nc2cc(Br)ccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162312141 DWSGMXTZRDJQRV-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE C[C@@H](CCC[C@@H](C)C(=O)Nc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C 2181046772 MNEPZJWDQAYUIV-KGLIPLIRSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCNCCC1(F)F 2196990136 RZTDZIFOLMECGD-GOSISDBHSA-N 444.320 4.862 30 10 IJEE C[C@H]1[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)CCN1C(=O)OC(C)(C)C 2200686807 NOVIZFJMCNTLJW-IIYDPXPESA-N 436.350 4.541 30 10 IJEE Cc1sc(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c(C#CCO)c1C 2221819384 BDELQDDEAXPVPP-UHFFFAOYSA-N 446.616 4.531 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2235717525 BETUETVVGJZKCF-HNBVOPMISA-N 433.390 4.567 30 10 IJEE CN[C@@H](C#Cc1ccc(C)cc1)c1cc(Br)ccc1I 2239721395 FKERXLCAVFYGOL-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@@]34CCC[C@@H](CN3Cc3ccccc3)C4)CCC2)OC1(C)C 2266991840 LDSGTZPWSPBWJN-BWKNWUBXSA-N 438.421 4.564 30 10 IJEE CC1(C)OB(c2cc(C(=O)NCc3ccc(OCc4ccccc4)cc3)cs2)OC1(C)C 2267282807 HJIZPFCKJYTEQZ-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC1(C)OB(c2cccc(F)c2C(=O)N(Cc2ccccc2)c2ccccc2)OC1(C)C 2267446999 BQDGZBOGKHXHKI-UHFFFAOYSA-N 431.316 4.972 30 10 IJEE C[Si](C)(C)C#C[C@H](OCCCN)c1scc(Br)c1Br 2277376079 ANBLGCUAVKCIGO-NSHDSACASA-N 425.262 4.560 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CN(c2c(Br)cccc2C#N)C2CC2)C1 2285188869 XSIZCNBTJPUOFG-HNNXBMFYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 2296082462 FQBWXBMYQJLFMV-FXAWDEMLSA-N 425.550 4.646 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1(C)CC(NC(=O)OC(C)(C)C)C1 2296270819 BHOQRKQRQYJWLA-LVIWNVNYSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2296272100 IABIMGBXSKESBZ-DXIQSLLYSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C1CC2(CCCN2C(=O)OC(C)(C)C)C1 2296272696 LVOHPDHQVJHVCC-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 2297746989 UGHJXHWETGGXQG-JOCHJYFZSA-N 445.446 4.629 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)OC)cc1 2321028557 LAXZXPWHXWOMKS-UHFFFAOYSA-N 430.533 4.955 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)c(OC)c1 2321978763 RYVYAKKWHRMYFQ-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(CCCCCO)CO2 2322095687 YTIUMNWPUZZJTM-UHFFFAOYSA-N 431.891 4.718 30 10 IJEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2cccnc2)C3)C1=O 2322312128 ZNEPLCBEOJPKRW-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)c1OCCO 2322828397 FEVDEFDNUXGUKV-UHFFFAOYSA-N 431.699 4.931 30 10 IJEE Cc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)ccc1[N+](=O)[O-] 2323279436 IUOQMFJLXQGRLM-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 2323379184 SZKFOFYKQAZUNL-UHFFFAOYSA-N 446.459 4.907 30 10 IJEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1OC(=Cc1cccnc1)C2=O 2323907899 OUVQSYGYRVQCRO-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325107870 BVMCVTDZZWALSR-UHFFFAOYSA-N 430.884 4.613 30 10 IJEE CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1cn(C)c2ccccc12 2326823475 JLKJYJNOLNSTRY-UHFFFAOYSA-N 435.553 4.742 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(O)c(OC)c1 2326900930 HHVFDXFJXNSZBI-UHFFFAOYSA-N 426.586 4.745 30 10 IJEE CC(C)c1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCCCO)cc1 2327579576 NJHDKELYKOQBPV-UHFFFAOYSA-N 444.988 4.991 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1 2330114909 GFLRTTWINVXSKW-LJQANCHMSA-N 447.608 4.853 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 2330761530 FPVYMNAIGRQYPH-OAQYLSRUSA-N 439.464 4.536 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(F)cc1 2331046554 SLVZUWFMTTYQPY-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1F 2331392302 OPGNIXQFPMDWJG-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc(Cl)c1 2331399555 WYQKVGCIEFVOEX-UHFFFAOYSA-N 434.009 4.652 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1F 2331450980 YYLCKZFXZYGLRT-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1c[nH]c2ccccc12 2331663873 CHOJDACNNHFHOF-QGZVFWFLSA-N 446.580 4.564 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(OC)c(OC(=O)CC)c(OC)c2)c1 2331675777 JHHMVIYKGHWFDF-UHFFFAOYSA-N 428.481 4.713 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1cnccn1 2331708492 RCEYPVXFCNDQEL-UHFFFAOYSA-N 447.447 4.516 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2358670785 BETUETVVGJZKCF-QGZVKYPTSA-N 433.390 4.567 30 10 IJEE C=CCCCCN(C)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2373243895 LRYKMECTAWEKAA-CQSZACIVSA-N 425.186 4.861 30 10 IJEE C=CCN1C(=O)[C@H](C)Oc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081428 RKBMSQIENGCJHY-STQMWFEESA-N 435.307 4.699 30 10 IJEE Cc1cccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(O)ccc4ccccc34)n2)c1 20907518 HPZJXWAEXRBVOY-ZVHZXABRSA-N 446.536 4.539 30 10 IJEE CC(=O)Nc1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1 33321231 WOVYXZVKACBIJP-QMHKHESXSA-N 429.476 4.605 30 10 IJEE C=CCOc1cccc(NC(=O)CNc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1 66096906 PGGLBNSPTCZYMI-IBGZPJMESA-N 429.520 4.793 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2cccs2)[C@@H]1c1ccc(C(C)(C)C)cc1 102732598 AUBOCHNEOREIQI-AGGMBTAESA-N 440.609 4.809 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2cccs2)c1 169928572 VIOZVDBXWAEDPU-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2O)c1 169931911 CNXFPEBRVWUSRA-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(O)cc2)cc1 170132421 LQZYCZULFXEQPQ-HSZRJFAPSA-N 445.471 4.670 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccn1 170173375 JLMKIQAOPCTGAB-HXUWFJFHSA-N 434.879 4.835 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1 170173603 DTXSPWABTMQIHI-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccn2)c1 170175016 GIHXBQPXOGSJBM-QHCPKHFHSA-N 444.487 4.667 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170222968 BSDMWJKDDIDBRM-JOCHJYFZSA-N 449.409 4.519 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1F 170248776 WHOZQCWSDZKKAA-QFIPXVFZSA-N 447.462 4.940 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)c1 170296149 SFMOPABGPAWJFC-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 170326158 SSADEFLGFHMLSN-IBGZPJMESA-N 448.302 4.753 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OC)cc2)cc1 170410075 NERLKQNSCHUDQP-JOCHJYFZSA-N 449.528 4.586 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(F)cc2)ccc1OC 170442211 AQWJXDKWWNVJNX-QHCPKHFHSA-N 441.499 4.744 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC 214285150 SMRZUCFMZSQGJU-NTMALXAHSA-N 446.469 4.641 30 10 IJEE O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN=Cc1cc(Cl)cc(Cl)c1O 254315821 CEVPYNNIOWATMJ-UHFFFAOYSA-N 439.133 4.980 30 10 IJEE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)C1=NNc1ccc(C)cc1C 254857925 HZDCSYQAIUKRTE-UHFFFAOYSA-N 434.481 4.526 30 10 IJEE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]21C 257429427 GUERPVMWCQXYEU-BEXMUSTBSA-N 444.656 4.820 30 10 IJEE biogenic COc1cc(CNc2ccc(I)c(Br)c2)ccc1C#N 312861457 XQVOALPXKAQWDX-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@]1(C)CCCN1Cc1ccccc1 398057858 IWNKQFLPOJWCEB-QHCPKHFHSA-N 427.386 4.605 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1CC 407426566 SHRJULRGZGIVFP-HZPDHXFCSA-N 429.403 4.566 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 438617551 BNARWGQFPWPHIF-IUDNXUCKSA-N 434.323 4.534 30 10 IJEE COc1ccc(CCN(Cc2ccsc2)C(=O)NCC2CCC(C#N)CC2)cc1OC 442724239 UWXMNIYJAMTLTK-UHFFFAOYSA-N 441.597 4.850 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 466386727 RKOMJNXOYSHBJI-HNNXBMFYSA-N 448.317 4.522 30 10 IJEE N#Cc1cc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)ccc1F 467758790 KLKHAYOFMXDCAW-UHFFFAOYSA-N 449.429 4.502 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@](C)(CC(C)C)c2cccc(Br)c2)cc1C#N 477998118 IFAYTMUHOIAWOF-FQEVSTJZSA-N 448.386 4.835 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)nnc1-c1ccco1 483024738 QSRAVQFOCQLMQF-HSZRJFAPSA-N 440.544 4.536 30 10 IJEE Cc1ccc(-c2nc(C)c([C@@H](C)N(C)S(=O)(=O)c3ccc(F)c(C#N)c3)s2)cc1 523517897 ADXMBBJHDJERDO-OAHLLOKOSA-N 429.542 4.819 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccco2)c1OC 526608487 FLVWREUNLHSTLQ-FQEVSTJZSA-N 436.851 4.879 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccco2)c1OC 526608489 FLVWREUNLHSTLQ-HXUWFJFHSA-N 436.851 4.879 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccc(OC)cc1 526830654 RUENBKQJJJAAQA-UCQKPKSFSA-N 442.541 4.574 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCC(=O)c2cccn21)c1ccc2c(c1)OCO2 578112386 FAVHRVWRYIASCU-NRFANRHFSA-N 444.487 4.533 30 10 IJEE C=CCCN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586135283 OQJCDGNFZLWVDH-UHFFFAOYSA-N 444.380 4.820 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@@H](C)c3cccs3)N(CC)C2=O)cc1 726419123 CRFPOLMRBHLQCU-VVPHRGLWSA-N 431.583 4.557 30 10 IJEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 755602486 MUXNQPWGNOFTKM-XSLBHYSZSA-N 431.420 4.660 30 10 IJEE Cc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3coc5ccccc5c3=O)CC(=O)O4)C2=O)o1 1081804408 MKPYKACNVRQWAS-GVLJNOETSA-N 440.407 4.752 30 10 IJEE Brc1cc(C=Nc2ccccc2I)oc1N1CCCC1 1084197413 HALNNIZMFZSRDX-UHFFFAOYSA-N 445.098 4.998 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Br)c3)n2CC(=C)C)C1 1116952971 FJYAHMRIWWUMIX-VQIMIIECSA-N 447.377 4.538 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(Br)ncc2Br)c(OC)c1 1124177011 VRESWWBDDPDMTE-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE N#Cc1ccc(F)c(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c1 1129597450 DNYJERHEQAXPLR-UHFFFAOYSA-N 428.217 4.557 30 10 IJEE C=C1CCC(CNC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 1133313863 DBQTYRAOFHVTJR-UHFFFAOYSA-N 438.549 4.622 30 10 IJEE C#CCCNC(=O)c1cc(F)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 1146488207 HSTFQABLUDODQM-UHFFFAOYSA-N 428.463 4.940 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1158530674 LRHLBRXNPRKWCC-LLVKDONJSA-N 427.364 4.552 30 10 IJEE Cc1ccc(NC(=O)Cn2c(=O)c(C(F)(F)F)nc3ccc(C(F)(F)F)cc32)c(F)c1 1165984624 HBUHYMOLFHHDJL-UHFFFAOYSA-N 447.310 4.520 30 10 IJEE C=CCC[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(C(F)(F)F)cc1 1201596044 YRBCHIZLDWASTQ-QGZVFWFLSA-N 432.895 4.803 30 10 IJEE C#Cc1ccc(NCc2cc(C)cc(Br)c2OCC(=O)OCC)c(Cl)c1 1207705190 XJADLVKQGQOTHO-UHFFFAOYSA-N 436.733 4.946 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CCNC(=O)OC(C)(C)C)Cc3ccccc3)cc2n1 1209582191 OYVPKFHSIAQGIE-UHFFFAOYSA-N 449.555 4.781 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c(Cl)c1 1209889702 VZGUSXRKCRAEHA-OAHLLOKOSA-N 432.749 4.732 30 10 IJEE C#CCN(C(=O)Nc1cc(-c2ncco2)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1216416716 WWHCWBIJCYIKNU-UHFFFAOYSA-N 438.528 4.517 30 10 IJEE N#Cc1sc(NC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)nc1Cl 1219069289 FYVHGNREMALJBA-HNNXBMFYSA-N 443.985 4.651 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1ccc(Cl)cc1F 1223066814 RRESHHUSUGNUFQ-WOJBJXKFSA-N 431.298 4.592 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1230488774 CRUCHIYCSOLEAG-WWEVIYMKSA-N 445.991 4.741 30 10 IJEE COc1ccc(C#N)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1264826836 CTHNFROOPMNWOJ-GOSISDBHSA-N 449.429 4.790 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)=C(C)C1 1286336740 OGYCTZXJBUBIDR-UHFFFAOYSA-N 443.389 4.970 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CCCN(C)C(=O)OC(C)(C)C 1286572008 XBWDXLVNOAAITF-UHFFFAOYSA-N 443.592 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)C1CCCCC1 1286581172 LZZGCEYTZYVLQP-DEOSSOPVSA-N 432.559 4.881 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C2CC2)C1 1286605394 MRMGEFAZDQDHRA-KRWDZBQOSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@](C)(O)CC)CC1 1286655206 HRIBYSJCVRGDPA-SANMLTNESA-N 433.600 4.916 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOC(C)C 1286718186 ACWGHKZRDORPOM-UHFFFAOYSA-N 427.774 4.798 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1286740128 YSOPHLOKJPCSIE-RLWLMLJZSA-N 437.632 4.831 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCN1CCCC(C)(C)C1 1286745829 IXNXGUQFUSEYMG-QHCPKHFHSA-N 437.632 4.834 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1286770423 FLOWUUHFOQWROI-UYAOXDASSA-N 435.538 4.717 30 10 IJEE C=CCN(Cc1cccs1)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 1290530197 TZOYIAZXUIWMGO-GOSISDBHSA-N 426.485 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@](C)(O)c1ccsc1 1300787876 PESHAWDYXAJMLP-SDUSCBPUSA-N 434.609 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)C(C)C 1300875794 OLKZMOVJPIOLGL-APWZRJJASA-N 433.394 4.924 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(CC)Cc1ccc(OC)cc1OC 1300885743 SJRSQKNXRCZYST-NFBKMPQASA-N 440.588 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CCCO1 1300906313 NDGVHIMJTZQIQJ-HXUWFJFHSA-N 437.357 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301142180 XNOFMQZTZULWKO-NRFANRHFSA-N 433.604 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCO[C@@H](C)C1 1301143660 NBYSXWWDQKEKCI-INIZCTEOSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1301149601 BLGDFGYELMZMRI-UHFFFAOYSA-N 435.572 4.904 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301194630 MLLDDNSEIGYOMI-HXUWFJFHSA-N 436.560 4.597 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CC(C)(C)C(=O)NC 1301360289 ZYAOWHBVHYSUEO-UHFFFAOYSA-N 444.004 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCC1 1301374930 HERASMKWGNAAAW-LJQANCHMSA-N 425.646 4.796 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cscc2C)C1 1301542479 OMMHPXYLYBFBFA-KRWDZBQOSA-N 432.952 4.937 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCOc1ccc(Cl)cn1 1302603536 CDIUUNYYTLSCMW-UHFFFAOYSA-N 448.958 4.694 30 10 IJEE Cc1c(S(=O)(=O)N[C@H](CCc2ccccc2)C(F)(F)F)sc2ccc(C#N)cc12 1309351884 IALNRLYOSRZGAH-GOSISDBHSA-N 438.496 4.923 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Oc2cccc(OC)c2)nc1)c1ccc(Cl)cc1F 1311351207 CLOUYPCCIWXXJQ-OAQYLSRUSA-N 439.874 4.849 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(Br)cc1F)c1ccc(Cl)cc1F 1311928282 FZIQQGZTJCOYPE-KRWDZBQOSA-N 427.676 4.597 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1312365858 KXGRNCNGCNJDKT-DUXKGJEZSA-N 433.568 4.963 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCc3cc(C(C)(C)C)ccc3C2)ccc1OC 1318466879 BRMVODAYQXQZAP-QFIPXVFZSA-N 435.568 4.942 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cc(Br)nn1-c1ncccc1Cl 1348775526 FKHMULJIGMQPKT-UHFFFAOYSA-N 437.750 4.573 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 1350032309 GJGLHDMHAFGIOZ-SANMLTNESA-N 433.552 4.592 30 10 IJEE C=CCN(C(=O)c1cccn1-c1cccc(I)c1)c1ccccc1 1352782953 LIWAMSHWQZRVCM-UHFFFAOYSA-N 428.273 4.915 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1358871686 JBPOTIPYENWVJF-MOPGFXCFSA-N 433.531 4.532 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1359055465 FDINKFOEJAJSEA-UHFFFAOYSA-N 430.021 4.646 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1359061356 ZQYJBDRSQDSLSI-RBUKOAKNSA-N 445.032 4.893 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)CC1CC1 1359102594 CZRBMQBPSIDOSJ-XMSQKQJNSA-N 430.980 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCO[C@@H]1C(=C)C 1359111697 JXCJYRXGZNRHJP-NFBKMPQASA-N 433.556 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1359189628 PPROJRZQGOOROA-UHFFFAOYSA-N 433.547 4.822 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCCC[C@@H](SC)C2)cc1 1359307304 HDDCWTJNKQEAJB-YADHBBJMSA-N 442.629 4.855 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2ccccc2F)C1 1359322665 AAEVWWUMAJJZAJ-LJQANCHMSA-N 440.588 4.829 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1359344247 QFCMGGMDABHYJV-VXKWHMMOSA-N 440.657 4.740 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1ccsc1 1359531157 DCGYSVDWQOEPOQ-UHFFFAOYSA-N 435.597 4.896 30 10 IJEE Cc1cc(C(=O)OCc2nc(-c3c(F)cccc3F)cs2)nn1-c1cccc(C#N)c1 1435851458 IEWIEBSVLPVYAA-UHFFFAOYSA-N 436.443 4.811 30 10 IJEE CN(C(=O)CSc1ccccc1C(=O)NCc1ccc(C#N)c(F)c1)C1CCCCC1 1436751649 HLLKMSPCQRXYOM-UHFFFAOYSA-N 439.556 4.511 30 10 IJEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](C)C[C@H]1C 1440100002 CQQJSFPPQYWLPL-XMODTWTHSA-N 434.536 4.576 30 10 IJEE C=CCC1(CNC(=O)c2ccccc2Sc2ccc(S(=O)(=O)NC)cc2)CCCC1 1449420837 ADVHZBHIXZFANT-UHFFFAOYSA-N 444.622 4.612 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1458996671 JSAZSLYSQWHXBD-OAQYLSRUSA-N 438.524 4.752 30 10 IJEE C#C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@@H]1CCCO1 1459987593 PQXGCMRRXONHFU-YADHBBJMSA-N 436.353 4.572 30 10 IJEE C#CCN(Cc1ccc(O[C@@H](C)COC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1461987020 NRQPHCLOXGHWRJ-HTAPYJJXSA-N 444.369 4.822 30 10 IJEE CC[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1463248154 GFJWUJUCFDCNJM-PMACEKPBSA-N 433.371 4.668 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cccc(C(=O)OC)c1Br)c1ccc(F)c(F)c1 1466452042 SLZREQRWFKNLAB-KRWDZBQOSA-N 439.256 4.953 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1 1467650039 CCMVDXASIBHHAQ-UHFFFAOYSA-N 425.528 4.880 30 10 IJEE C#C[C@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccc(Cl)cc1 1468720780 OVQDDQACEMSIRV-WMZOPIPTSA-N 429.904 4.504 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C 1470156267 MWWPVNBDJIBQMX-MSOLQXFVSA-N 440.943 4.540 30 10 IJEE C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[C@@H](OC1CCOCC1)c1ccccc1 1470557203 DQRSQLNJDCARMZ-RIEVBORMSA-N 433.552 4.560 30 10 IJEE C=CCn1c(SCc2cccc(N(C)C)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472907633 HDUMMSMNUAADGL-CQSZACIVSA-N 426.611 4.522 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CC[C@H](N4CCCCC4)C3)c2C#N)C1 1473170085 DUYZLAALFFVNMZ-OALUTQOASA-N 442.673 4.660 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(Br)ccc1N1CCOCC1 1476000873 ZWJQFQRYLSAYRY-IBGZPJMESA-N 444.373 4.595 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CC[C@H](F)C2)cc1 1502850762 GPIQLGAZIDZVLZ-YRXWBPOGSA-N 429.540 4.551 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1ccsc1)N(C)C 1507517742 JIYHOPHZXWLXCZ-UGKGYDQZSA-N 433.625 4.570 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCC[C@@H]1CC 1507604616 LPFYYHATSQJREQ-NRFANRHFSA-N 448.640 4.711 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507677924 AOYAMNPNBLBMRA-DHIUTWEWSA-N 447.671 4.964 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CSCCS1 1507694213 JZBRBHJHDPRTPA-IBGZPJMESA-N 444.670 4.597 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CCC 1507743753 CCGFVYSCSSTZPT-AWEZNQCLSA-N 439.398 4.838 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(CC)Cc1ccccc1C 1507802570 AXTJMLCTOYPZEQ-UKILVPOCSA-N 431.584 4.580 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCCCCC1 1507809288 JCPYNXGNRIQLQQ-GBXCKJPGSA-N 440.588 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCC1=CCc2ccc(OC)cc21 1507826585 UQLQLHNECSANME-UHFFFAOYSA-N 429.568 4.705 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C2CC2)C1 1507836922 DQTSFFDDRUZLEF-GOSISDBHSA-N 431.378 4.537 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1507892491 TVMXVOPZJYOZRJ-GOSISDBHSA-N 432.037 4.722 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC=C(C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507918804 HJDDBNXAAXVAGG-KDURUIRLSA-N 429.609 4.808 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(Cl)ccn1 1507923550 YPRHXAKZBLKWRS-UHFFFAOYSA-N 431.009 4.921 30 10 IJEE C=CC[C@H](Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1507928084 HRQUBAGNUMSZBN-OAQYLSRUSA-N 437.632 4.630 30 10 IJEE C=CCCCn1c(C)nnc1N1C[C@@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1507941896 ABJFVLXHEORPLS-YEJXKQKISA-N 433.915 4.649 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1ccsc1 1507967366 FFBHWHYZILWREM-BTYIYWSLSA-N 432.977 4.663 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCSc1ccccc1 1507986986 KOXUUIHNMCLVHW-IBGZPJMESA-N 443.617 4.765 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1508017070 HYQMSTAEECTBDY-UHFFFAOYSA-N 428.890 4.568 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC=CCC1 1508038456 SJEVNUGSUNZZKO-MRXNPFEDSA-N 449.368 4.842 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ncc(CC)s2)C1 1508116959 POPPSOCIJNEMOL-HNNXBMFYSA-N 447.967 4.586 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(F)cc1 1528047733 OPGMZDLIOQHIBM-LJQANCHMSA-N 428.257 4.865 30 10 IJEE C#CCN(C(=O)C1(Cc2ccc(F)cc2)CC1)[C@@H]1CCOc2ccc(Br)cc21 1529627331 MYIUBXWKBIAYMC-HXUWFJFHSA-N 442.328 4.897 30 10 IJEE C=C[C@@H](CC)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1531663701 KHEIYXGZUBPVRS-NYVOZVTQSA-N 430.589 4.897 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC(C)(C)C1 1538970114 AADCNSYKZHGDQP-RTBURBONSA-N 444.023 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCCC[C@H]1C 1538974099 RTSVBXDADPXEKR-NHCUHLMSSA-N 430.600 4.524 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539052657 HWTBFMTWCAYNCP-AKFKNWHVSA-N 436.600 4.844 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1539279120 UTLHRYZILJPUFA-PMACEKPBSA-N 444.501 4.786 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1sccc1C 1539315020 BYSGWKYQBJJAAW-UHFFFAOYSA-N 441.560 4.676 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCO[C@H]1CCCC[C@H]1C 1539390717 UXGATAFHRLGGIW-YKSBVNFPSA-N 447.558 4.714 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1 1539530215 CUTGTAWBRQVNCO-HNNXBMFYSA-N 439.075 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H](C)Cc1ccc(OC)cc1 1539562636 BZQAVAMYGLWRKB-IQGLISFBSA-N 449.624 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C)CC1 1539625240 ZUCFHHLMCYBTDZ-REWPJTCUSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1539828036 CXQKDSSCGGUFSF-GAJHUEQPSA-N 442.560 4.683 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1539828039 CXQKDSSCGGUFSF-UZUQRXQVSA-N 442.560 4.683 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCSc2nccs2)CC1 1539840281 QPWNEMHRYAGAHG-UHFFFAOYSA-N 433.006 4.789 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(COC)CCCCC2)CC1 1539859410 ONFPISYUAGQMDI-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCC[C@H]2CC)CC1 1539891957 OORYSDRSTSUSHI-JOCHJYFZSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1539915731 CZCXAHWUQOBMQQ-VQTJNVASSA-N 440.563 4.623 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539968392 UBMLEHGINKNBCI-QGZVFWFLSA-N 428.886 4.646 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(NC(C)C)CC1 1539986143 VJASLHZZCUJWBD-UHFFFAOYSA-N 438.439 4.702 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1539989343 UUZYIAPHBRQBPV-APWZRJJASA-N 445.995 4.914 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1539997926 XCSUSWYPRQHZQA-OAQYLSRUSA-N 425.964 4.843 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCC(F)(F)C1 1540051794 ODCHHFDENCYAKC-ZDUSSCGKSA-N 428.325 4.874 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccn(C)n1 1540155136 MFWJYQQPAUIZMT-SFHVURJKSA-N 440.979 4.649 30 10 IJEE CC(C)(Cn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 1541990227 CDIJOPKUJDPAHO-RUZDIDTESA-N 432.547 4.511 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1542327213 WEBOJDRLMBYLKG-NRFANRHFSA-N 441.572 4.619 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@](F)(C#N)C2)cc1 1542382916 CFQTZVZSRZSPRF-IBGZPJMESA-N 446.349 4.568 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1nncn1C(C)C 1545198642 BBHZAICIUNOCKB-KRWDZBQOSA-N 433.940 4.500 30 10 IJEE CCN1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H](C)CC#N 1547678648 HRFCIHZCJIXTQK-NHCUHLMSSA-N 438.620 4.512 30 10 IJEE C=C1CCC(CNC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)CC1 1558260174 KPRZEHTXVDOFCW-GOSISDBHSA-N 429.413 4.708 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc21 1558614291 HBFYNJCPWGKQAX-OAQYLSRUSA-N 434.540 4.687 30 10 IJEE C#Cc1ccc(NC(=O)C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)cc1 1558728292 VVFMTERQBOLOCU-QGZVFWFLSA-N 432.442 4.550 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2c3ccccc3CC[C@H]2C)cc1OC 1560330890 CQWOGPXAAGXGSI-QGZVFWFLSA-N 445.401 4.953 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 1564313805 FJRKPAMDAIFHIU-FQEVSTJZSA-N 447.348 4.790 30 10 IJEE C#CCOc1ccccc1CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl 1565769688 NDDPFMCEKYLHQS-UHFFFAOYSA-N 428.916 4.558 30 10 IJEE C#Cc1cncc(C(=O)N[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)c1 1583565796 QHFGORVINIAYQZ-OAQYLSRUSA-N 428.385 4.771 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 1587234880 YMASPPVWSMJFFJ-HNAYVOBHSA-N 428.374 4.988 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCCc1nc(C)cs1 1587667201 DXKMPYCVXSJEMN-HXUWFJFHSA-N 437.613 4.720 30 10 IJEE N#Cc1cccc([C@H](NC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)C(F)(F)F)c1 1588105775 INZOLSJQHQKUOC-INIZCTEOSA-N 439.315 4.864 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCCC)CC1 1589078375 NCAGYJMDRZXMGF-NRFANRHFSA-N 447.048 4.674 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1589242745 IBYQLUICCMRCAP-RPLLCQBOSA-N 449.643 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCCc1nc2c(s1)CCCC2 1589669409 UACIEWTYZOGBME-UHFFFAOYSA-N 436.629 4.634 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2CCC[C@@H]21 1593770148 XKMWWXKABYGORV-OALUTQOASA-N 428.602 4.551 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[C@@H]2CCOC2)CC1 1594127826 GPDLBDZZCOBBFR-MRXNPFEDSA-N 437.371 4.747 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1594241503 SFGMOZVGHPKJDJ-UHFFFAOYSA-N 449.643 4.944 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@@H](C)C1)C1CC1 1595026218 GWHVHDWMZNPFPL-RTBURBONSA-N 444.023 4.958 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCC[C@H]1C 1595075451 FPRKWVLFTWUNAR-KBMIEXCESA-N 426.605 4.619 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CSCCS1 1595155960 CSXBOVVMGICPDS-GOSISDBHSA-N 443.667 4.751 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCOC2(CCCC2)C1)C(C)C 1595170580 DYTPBHUYRRLBCN-QFIPXVFZSA-N 443.680 4.715 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595350702 SCIJIYJDBBPZQL-NQIIRXRSSA-N 439.604 4.823 30 10 IJEE Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1cc(C#N)ccc1F 1596935959 AAALYDPMLXMRAE-UHFFFAOYSA-N 427.277 4.574 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)CCCN1C(=O)OC(C)(C)C 1611091522 CVXOVDDGRLGMPE-FQEVSTJZSA-N 437.418 4.578 30 10 IJEE COC(=O)C[C@@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1616866430 CPEJDWUKBPZEKU-OAHLLOKOSA-N 437.311 4.898 30 10 IJEE COC1(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1619046072 BOPBUVNPKNJPBW-DEOSSOPVSA-N 437.588 4.563 30 10 IJEE COCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1619645343 DCHXJRGUNPNBLE-JOCHJYFZSA-N 443.979 4.554 30 10 IJEE C#CCOc1cc(F)ccc1NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 1620821599 CSOLAWOWKGLOBX-UHFFFAOYSA-N 436.439 4.946 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 1625539305 VJPNEWBVAASYOY-AWEZNQCLSA-N 447.329 4.885 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 1625654066 SHLAURNJSOYCAS-IBGZPJMESA-N 449.979 4.724 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(Br)c4ccccc4c3)cc2C1=O 1626182337 QYRAJHCMRFUGPL-UHFFFAOYSA-N 435.277 4.637 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccc3ccccc23)C2CCCC2)cc1 1626815150 FBHNZLTWVWWQNZ-UHFFFAOYSA-N 448.588 4.889 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(CCc3ccccc3)ccc2O)ccc1OC 1627826692 HBYWPRQQMDIJOP-JOCHJYFZSA-N 444.531 4.797 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C 1629615843 CHCQKMWYIPCQAL-UHFFFAOYSA-N 432.524 4.684 30 10 IJEE C/C(=C\C1CCC(C)CC1)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1633104402 MBAPHSDMBJSRQU-QEZJJTTISA-N 444.417 4.931 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1)c1ccc(Cl)cc1 1633645185 KCNTXNDSZYEVDN-ZNZDAUKMSA-N 435.749 4.852 30 10 IJEE C=CCCO[C@@H](C)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1635227085 VTGPAFTYXCKTHC-HOCLYGCPSA-N 438.362 4.592 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1(C)C 1638563749 HKNZGJVIIDOYQC-FGZHOGPDSA-N 449.551 4.967 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc(Nc2ccccn2)n1 1639660686 COYGWTRGMWFVQG-ZDUSSCGKSA-N 431.443 4.855 30 10 IJEE C#C[C@@H](CCC)NC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1640080854 AJRMRAWDVPKRDR-FQEVSTJZSA-N 430.548 4.566 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1cccs1 1643761179 JTWHGVKFOVLFFS-INIZCTEOSA-N 434.949 4.883 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 1644732732 DAWUSWWHNKXVDU-ATIYNZHBSA-N 437.653 4.639 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOC(F)(F)F 1649538159 ANFXMAFPRMTOAC-AWEZNQCLSA-N 449.502 4.761 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)sc2C)nc2sc3c(c2c1=O)CCC3 1652447602 PNTQGGXNZGDIQA-UHFFFAOYSA-N 432.592 4.582 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)ccn2)nc2cc(-c3ccccc3)sc2c1=O 1656138259 UVSTUHRKOFDJEI-UHFFFAOYSA-N 433.558 4.989 30 10 IJEE C=CCOc1ccc(CNC[C@@H](CO)Cc2ccc(F)c(Br)c2)cc1Cl 1656250801 JPXJMJDPEMZCHU-INIZCTEOSA-N 442.756 4.747 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@H]1CCc2ccccc21 1657069114 QRNHYJXSFHPJOP-SANMLTNESA-N 436.559 4.586 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(CNC(=O)OC)cc2)cc1OCC 1657221337 QNTCFYDDLNHIDZ-UHFFFAOYSA-N 449.345 4.881 30 10 IJEE C=CCN(CCc1ccco1)[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1657971156 FAIZEABVKQQBLE-FQEVSTJZSA-N 431.374 4.885 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1)C1CCOCC1 1669077092 QGZXLFRPTCSXMO-GOSISDBHSA-N 428.920 4.598 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)cc1 1669448534 KOXGPGULJCGVHY-XMMPIXPASA-N 434.923 4.949 30 10 IJEE C#CCN(C(=O)Nc1nc2cc(F)c(C)cc2s1)C1CCN(C(=O)OC(C)(C)C)CC1 1671480660 PIDGYEBUGZKQNZ-UHFFFAOYSA-N 446.548 4.610 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 1673641980 DYRDENVHHZGQAY-IEBWSBKVSA-N 426.923 4.519 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(OCCCOC)CC1)c1ccc(C(F)(F)F)cc1 1679304782 JQUDLLSBRGMKPY-HXUWFJFHSA-N 428.495 4.940 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCCC1 1679423564 YPUYGASGRZIHBG-IFMALSPDSA-N 433.955 4.507 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1689839805 MTRRWLHDLLQAJB-GHTZIAJQSA-N 437.975 4.877 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1689881711 ZZGKWNBZPUOIAQ-OAQYLSRUSA-N 449.986 4.840 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCSC1 1690067533 ASCYGQVEYBOLIC-HXUWFJFHSA-N 426.630 4.973 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1sccc1C 1690090063 UUOMSWBWAQGEQW-UHFFFAOYSA-N 431.540 4.846 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690250414 HGWKYXHAYPIUAR-UGGKCQTMSA-N 448.533 4.679 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690295924 YKSBATDSMXHHKX-HOTGVXAUSA-N 438.403 4.659 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C2CC2)C1 1690301080 OOQXZYVLWCVOQB-PKOBYXMFSA-N 430.980 4.901 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1690375475 MFPNNYFJFYPGHQ-IBGZPJMESA-N 431.625 4.670 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1690411806 VDKYBECOFZWLRL-VQTJNVASSA-N 428.552 4.571 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNc2ccccn2)CC1 1690415647 SSYDMEUHWXLHSD-UHFFFAOYSA-N 446.599 4.774 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccs2)CC1 1690492180 PAROAGLGLHSMME-UHFFFAOYSA-N 444.004 4.865 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705510845 ZTRCGTBBRAIAQS-CTNGQTDRSA-N 447.549 4.696 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1C 1705620447 UCGYMYDSPATJHO-FXAWDEMLSA-N 437.588 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCC[C@H]1C 1705671685 SWVMTGGKSWBLHC-AJTFRIOCSA-N 449.643 4.846 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N(CC)C1CC1)c1ccccc1 1705742006 GNHKNBOZGUMYCN-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705759553 PLPUISWTQJVCLZ-NRFANRHFSA-N 439.387 4.904 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1705772140 JSCMKQJLTKRAKB-NRFANRHFSA-N 441.576 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705794186 YEPMJOLJQVEVHJ-FQEVSTJZSA-N 444.645 4.555 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705822512 HREXCECKIUHRRV-FUHWJXTLSA-N 449.393 4.590 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1705826587 XBKZFFWJFXFFPB-LJQANCHMSA-N 426.605 4.839 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1705827069 SNLBVUNUFJINHU-QFBILLFUSA-N 431.378 4.679 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CC(F)(F)CO1 1705878745 YYSKHSNSLZCIIE-FQEVSTJZSA-N 444.551 4.590 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCC1 1705879349 VQMWDJSICQCJBE-UHFFFAOYSA-N 443.954 4.662 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705942446 SIZGHZQXLOTKHH-MSOLQXFVSA-N 425.602 4.529 30 10 IJEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)CCO1 1709551166 BHSVUSYFPOSHHC-UXHICEINSA-N 429.515 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccc(Cl)nc1 1722276081 CLMPUMLSEBAZKP-OAHLLOKOSA-N 448.983 4.932 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1Cc1cccs1 1722317091 MMNZKSJYKHXVDZ-NRFANRHFSA-N 434.609 4.954 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1722456514 VWCRZUFPPCDTQN-MOPGFXCFSA-N 445.032 4.608 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCc1ccc(Br)s1 1722514109 VKBULNPNIUPYCQ-UHFFFAOYSA-N 446.418 4.733 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722525003 FDIWRPPNEZIEMJ-OAQYLSRUSA-N 438.597 4.989 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCCC2(C)C)CC1 1722563934 CRPPYDCSXDGFMR-MHECFPHRSA-N 428.552 4.655 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC[C@H](O)C2)CC1 1722574958 ULVQRFLJNDTCQP-PMVMPFDFSA-N 438.616 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722587321 KFWQPOQEALDRHJ-UHFFFAOYSA-N 445.615 4.589 30 10 IJEE C=CCCCn1c(N(C)Cc2cccc(C(F)(F)F)c2)nnc1[C@]1(OCC)CCOC1 1722622192 HKVSITLWZDCOMJ-NRFANRHFSA-N 438.494 4.552 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCCC(F)(F)C2)C1 1722716323 UGYUCXPJYHAHRY-MOPGFXCFSA-N 446.542 4.951 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN(C)[C@H](C)CC)C1 1729257061 HIUXBPITYZMKSD-STZQEDGTSA-N 440.661 4.657 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[C@H](O)C1 1740725679 OXKCZZJMNFUHGD-MRBHHPDMSA-N 442.991 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)N(C)C1CCCCC1 1740726044 TZGJKAVOCKYIOL-WNCULLNHSA-N 447.627 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(C)c(OC)c1 1740770162 JDTSQXJSOFNNOM-UHFFFAOYSA-N 425.964 4.956 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1740788357 TXGSATWXNOBSDM-QFBILLFUSA-N 448.409 4.787 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740825467 WBKYOUXBLXTNQG-RLSLOFABSA-N 440.588 4.524 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)c2nccs2)CC1 1740841917 FZKIYGPFWCNSMZ-QGZVFWFLSA-N 439.585 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N(C)Cc1c(C)noc1C 1740853086 XWKABQJYCPZKHH-UHFFFAOYSA-N 427.524 4.840 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCC2CC2)CC1 1740867913 ZKNORBRCLWJECH-UHFFFAOYSA-N 437.588 4.509 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740893673 SCOBBAQPOHDXNA-ROUUACIJSA-N 447.574 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1740897819 VYMWSSYWEAVVIK-ZIAGYGMSSA-N 432.450 4.510 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(C)cs2)cc1 1740967116 XFEBPFUUFKXADJ-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C#N)CC1 1745491660 HBCSUYSXSRVTNC-DEOSSOPVSA-N 434.632 4.902 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H]1CCCCO1 1748647296 MQLATSUEYRKWCB-FXAWDEMLSA-N 435.597 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(CCOCC)CCC1 1748648108 YDFUFKRBMJIJMU-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1748659435 HNQNIPCGUYODEG-YCRNBWNJSA-N 449.624 4.556 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(C)(F)F 1748869180 XKDVMMKEFUMKQL-UHFFFAOYSA-N 439.535 4.885 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)S[C@H](C)C1 1749091626 BEIFWBQKJTWOKB-GASCZTMLSA-N 444.402 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1749133553 NCPBIIZCKGGULM-MNDCFMPDSA-N 447.048 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC(C)(C)C1 1749141618 ZZJWTZCZIKBNDS-AVRDEDQJSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCC(C)(C)COC)CC1 1749293570 BSKOFBIWBMUAFD-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCCCC1 1749357111 JMNQMPWOBOAJGR-UHFFFAOYSA-N 434.592 4.540 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1749370605 MFJXALRTTYFXBO-HSZRJFAPSA-N 431.584 4.753 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1 1749382919 QAWSJNHMURDVQH-XMMPIXPASA-N 435.616 4.565 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749396734 GNPQUWJWUJANQM-IBGZPJMESA-N 434.588 4.524 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749414540 GKECLLAWOVYBSG-IBGZPJMESA-N 435.572 4.789 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCCC1 1750298600 AIGPOEVTNQPJHQ-PMACEKPBSA-N 440.661 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCO[C@@H]1CCCC[C@@H]1C 1760105881 IFKOBQVNTMMCPL-ABSDTBQOSA-N 430.980 4.660 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760304511 XGKYHCGQVVXVRK-HNNXBMFYSA-N 437.357 4.777 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OCC(F)(F)F)CC1 1760386193 NUDIJNFWLUMZPX-UHFFFAOYSA-N 443.473 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760415383 XDOBPZKSQMGQPS-LJQANCHMSA-N 436.522 4.823 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cccc(F)c1 1760442080 FPDYECYSFYNWLF-IBGZPJMESA-N 439.560 4.716 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1760481184 PFDMUJGFJJTGCR-HXUWFJFHSA-N 425.577 4.651 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760481415 VWGJHDSESGWCFY-LJQANCHMSA-N 439.604 4.994 30 10 IJEE CN(C)c1ccc(/C=C2\SC(=NN=Cc3cccs3)N(Cc3ccco3)C2=O)cc1 1772758266 ZHBDBTOGEBCNEL-FYDGMIJASA-N 436.562 4.914 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=Nc1ccc(C(=O)O)cc1 1772763298 YKOVCEDDZVGSKZ-ZOAXWHFDSA-N 438.505 4.582 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862445976 IIZQNOKCMOLMMN-IBGZPJMESA-N 435.854 4.622 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccccc2C(=O)O)cc1 1862519880 VORHRMLEMXZXKZ-BTYIYWSLSA-N 437.492 4.550 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)c(Cl)c1 1862611233 FLQZISBQTAYUMM-LJQANCHMSA-N 448.302 4.751 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862622158 FZEKXLCZISRUEB-FQEVSTJZSA-N 438.480 4.585 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862678021 JIUKHUAWMUMMIZ-QHCPKHFHSA-N 438.543 4.869 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1C(=O)O 1862714910 PCLDLLFHTSGZPQ-JOCHJYFZSA-N 429.472 4.772 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 1862747619 TXOPTZWHQBFJAM-HSZRJFAPSA-N 442.471 4.724 30 10 IJEE C[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866771278 GDOWJTINJMRPRZ-QMHKHESXSA-N 433.458 4.502 30 10 IJEE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(C#N)cc1 1867182833 XNOAEWWNHDZEKB-UHFFFAOYSA-N 444.535 4.721 30 10 IJEE CCOc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCOCC3(C)C)n2)cc1 1868517437 FVDDAMQUDURMOF-UHFFFAOYSA-N 429.524 4.773 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)c1ccc2c(c1)C(=O)CCC2 1870158412 WCDJWHDNOJHZMH-UHFFFAOYSA-N 449.470 4.703 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870302004 CKURXTYROITRFL-UHFFFAOYSA-N 429.545 4.527 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870410787 FVTOISVSOSUKTH-FGZHOGPDSA-N 426.601 4.855 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN(CCCC)CCCC 1870568747 IQNIWWPXKBHRMV-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(OCC)cc2)cc1=O 1870810711 OOWGDXXFBYDSTF-UHFFFAOYSA-N 434.536 4.675 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(CCCC)cc2)[nH]c(N2CCOCC2)n1 1871501132 AFBIQBPWUJIKDB-UHFFFAOYSA-N 440.636 4.989 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871907874 MOPSPDMUICQFHA-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H](C)CC)S(=O)(=O)C1CC1 1871959934 WBCVPTOCKWOHGY-SCLBCKFNSA-N 433.401 4.717 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cccs1 1872065995 KPMOGNUIDBZKPP-LJQANCHMSA-N 438.590 4.960 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2ccccc2Br)C1=O 1873253369 CFULUTRTEJMLFC-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(NCc3ccco3)ncnc21 1873623932 ZFHDDGMIKWCMFE-UHFFFAOYSA-N 444.539 4.921 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)cc1 1874292770 PUCFTSDLQWJJID-VULFUBBASA-N 449.511 4.574 30 10 IJEE CCc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCC(=O)N(CC)CC)cc1 1874386297 IPEWSXYPCFVAQO-YZSQISJMSA-N 449.624 4.582 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C(F)(F)F)cc1 1874460732 COPXKJSNZRZGTO-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCOc1c(/C=N/n2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cccc1OC 1874568882 VYSFNHPSBPWYSC-FOKLQQMPSA-N 446.960 4.706 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 1874610950 UJOVOTXIUVNAMS-YCRREMRBSA-N 448.269 4.585 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)c1cnccn1 1874719070 ZCOIWKXIXRLGCL-JXMROGBWSA-N 440.455 4.762 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OCC)cc2)CSc2nnc(COC)n21 1874873038 DCMSHPHRIPCEMZ-HXUWFJFHSA-N 446.617 4.885 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 1875146279 MLOQAHRTIGRLSB-RUDMXATFSA-N 445.427 4.790 30 10 IJEE Cn1nc(-c2ccc(-c3ccccc3)cc2)cc1C(=O)N1CCN(c2cccc(C#N)c2)CC1 1891355196 ZVHCLKUZMZJZSQ-UHFFFAOYSA-N 447.542 4.588 30 10 IJEE C=CCC1(NCc2nc(C)c(Br)s2)CCN(C(=O)OC(C)(C)C)CC1 1924529804 KSKLQFBLOBQNRX-UHFFFAOYSA-N 430.412 4.649 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 1926705932 BBDDYNVHVAWYQZ-AEFFLSMTSA-N 427.358 4.854 30 10 IJEE C#CC[C@@H](C[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2075971093 RLYULAIOESNOCZ-BJKOFHAPSA-N 440.628 4.737 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2078982436 APDKUVPZYXGCLQ-MZYRPWKCSA-N 425.314 4.973 30 10 IJEE CC[C@@H](c1ccc(OC)c(C)c1)n1nc(C(F)F)c(C=NO)c1I 2080036252 VWWBAVIYEUVILC-LBPRGKRZSA-N 449.239 4.550 30 10 IJEE CC(=O)Oc1ccc([C@@H](n2nc(C(C)C)c(C=NO)c2Br)C2(C)CC2)cc1 2080075454 QPOCJNRPSYUZAI-GOSISDBHSA-N 434.334 4.892 30 10 IJEE C=CCN(CC[C@@H](Cc1cccc(F)c1Br)NCC)C(=O)OC(C)(C)C 2099288947 WBVIXFSNMIYZTN-INIZCTEOSA-N 429.374 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2cc(Br)cc(C#N)c2)C1 2106103762 KAUOFUYLRNLKJU-CYBMUJFWSA-N 430.293 4.625 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 2159127411 GIAZCKHSBGXDMZ-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C)(C(=O)Nc2ccc(Br)c(C#N)c2)CC1(C)C 2199598247 MZCRFQZVUNMLLQ-HXUWFJFHSA-N 436.350 4.685 30 10 IJEE Cc1cnc(N[C@H]2CCN(Cc3ccccc3)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232304109 QPUBVKNIJUEFTB-NRFANRHFSA-N 435.421 4.544 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CC[C@@H]1CCN1C(=O)OC(C)(C)C 2235717067 IRNADWSIAGTAGA-RTBURBONSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F 2238185816 UGFDUHIDKKPLGE-YWZLYKJASA-N 445.348 4.575 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2244487430 QGHHCLIPTDLHRP-RBUKOAKNSA-N 435.487 4.763 30 10 IJEE COc1ccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c(NC(=O)OC(C)(C)C)c1 2269725877 JZKMJCCUCKWYRA-UHFFFAOYSA-N 442.321 4.529 30 10 IJEE C#CC1(Nc2ncc(I)cc2Br)CC2(CCCC2)C1 2272597363 WGKKWWOCQRFPJU-UHFFFAOYSA-N 431.115 4.587 30 10 IJEE N[C@H](C#Cc1cccc(Br)c1)c1cc(Cl)ccc1I 2278729053 YWWPXROPKYJNJH-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE C#CC[C@](C)(CNC(=O)OC(C)(C)C)COc1nc2ccc(Br)cc2s1 2278967229 DLFGQEOSYZSOGF-LJQANCHMSA-N 439.375 4.992 30 10 IJEE O=C(C=C1SC(=NCc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1 2294118676 NBFICYHFIYDBMG-UHFFFAOYSA-N 427.529 4.841 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@H](N)C#Cc2cccc(Br)c2)CC1 2296280599 BHUAFKMCEMZWNE-FQEVSTJZSA-N 435.406 4.945 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)CC12CCCC2 2296290651 FXDDPYFQICVAIT-MJGOQNOKSA-N 433.390 4.698 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](N)C#Cc1ccc(Br)cc1 2296290741 HDFRCWQJDHTXMN-HSALFYBXSA-N 435.406 4.657 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2296296992 URQXTJOTFQTRAM-KNKQGSTJSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#CC1(SC)CC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299642512 IIBRQFKIPOBZGX-VXKWHMMOSA-N 446.657 4.754 30 10 IJEE Cc1scc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2303618888 ADXRIISIPPOWEI-MRXNPFEDSA-N 425.403 4.797 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2305401652 YNWYKXFYKXEIPG-KSNOWIBYSA-N 428.573 4.555 30 10 IJEE CN[C@@H](C#CC1(SC)CC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2314652056 JHAOCUTVAXAJRX-HNNXBMFYSA-N 425.392 4.956 30 10 IJEE C[C@@H](CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317355972 YRTRMOCQGRAHJG-KRWDZBQOSA-N 432.370 4.798 30 10 IJEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1ccc(C)cc1 2320965900 IORJCAOGLJATBR-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 2321097321 UDGUKCUOKRXETG-UHFFFAOYSA-N 437.569 4.687 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326269231 KMBPACFQTBRNID-UHFFFAOYSA-N 441.315 4.872 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)cc1 2328564695 HKLFIAGGEBKZGD-UHFFFAOYSA-N 447.539 4.976 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc(Br)c1 2328871462 ODUWVHXMHAYJCY-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccn2C)cc1 2329249106 IKALUDMIMXYRKE-UHFFFAOYSA-N 435.528 4.530 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1 2331541507 UZIXINRYJCRSFY-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C(C)C)cc(OC)c1OC 2331698172 IFVVTCIVOFAPOF-UHFFFAOYSA-N 426.542 4.602 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)cc1 2331729127 ZIZUBPZKZSFGJU-UHFFFAOYSA-N 439.972 4.984 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(F)cc2)cc1 2332188629 SREAACKLDZQLGH-UHFFFAOYSA-N 433.487 4.889 30 10 IJEE COc1cc(OCc2ccc(I)c(Br)c2)ccc1C#N 2377631095 BHXWMBAIQOTWRV-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccco2)n1-c1cc(Cl)ccc1C 4146004 VLUKVVJSXRTMAR-UHFFFAOYSA-N 428.945 4.782 30 10 IJEE CCOC(=O)COc1c(/C=N/c2ccc(Cl)cc2)cc(Br)cc1OC 8856969 JTNLSOXQLYZOTO-UFFVCSGVSA-N 426.694 4.804 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCC(C)C 14666596 SPWHCOOTHKIUHP-UHFFFAOYSA-N 431.330 4.652 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(NCc3ccccc3)s2)CC1 23291312 DTZUDCRWFMCPRE-TZQQIIETSA-N 429.615 4.562 30 10 IJEE C=CCNC(=O)Nc1cccc(N2CCCN(Cc3cccc(OC(F)(F)F)c3)C2=O)c1 37545189 XDBLHDKERNWWDX-UHFFFAOYSA-N 448.445 4.725 30 10 IJEE CCCCn1c(O)c(C(=O)c2cc(Cl)c(OCCC)c(Cl)c2)c(C)c(C#N)c1=O 40522245 CVQRYBXQNJEEFK-UHFFFAOYSA-N 437.323 4.861 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)c1 102702810 YCZYTDVJXHBUDS-UGUGFTGJSA-N 428.488 4.840 30 10 IJEE CCS[C@@]1(CCC#N)c2ccccc2C(=O)N1Cc1ccc2c(c1)N1CCN=C1S2 104424192 PKMTZFOQYQEQEU-QHCPKHFHSA-N 434.590 4.834 30 10 IJEE COC(=O)c1ccc(/C=C2/Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 110528981 LSQJLRYSEBCDSS-WSDLNYQXSA-N 431.400 4.577 30 10 IJEE O=S(=O)(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 169903103 MMXMNULVBPERRF-YDZHTSKRSA-N 435.332 4.885 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccccc1C 169946300 VHFDLMLADWAMSK-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccncc2)ccc1F 170026178 ZCIGQNLDSCDEMF-HXUWFJFHSA-N 445.475 4.922 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 170055715 ZHOIDUPRKBCUEV-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170104326 VVFRYIRYLMDHBM-NRFANRHFSA-N 438.911 4.745 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccc(OC)c1 170120583 FPKMBKIQCBNWFJ-IBGZPJMESA-N 444.325 4.754 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccs2)cc1C 170160090 KJDFTXUDZWHGBX-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)cc1C 170190483 GDWYCDMAYVVWCN-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc2ccccc12 170220469 BFKCZXWYFOKOJC-HSZRJFAPSA-N 427.456 4.811 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)cc1OC 170228737 CJCPUYBXKVTHGD-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccccc3F)ccc2O1 170247022 BZQOXJLDAVFOBX-JLCFBVMHSA-N 449.503 4.989 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1C 170260719 HOEUCMMDUSXWAX-QHCPKHFHSA-N 447.487 4.861 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3cccc(O)c3)ccc2O1 170261974 PPMUIUBOZMWCSI-WNSKOXEYSA-N 433.504 4.627 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)c1 170288938 RNRAAHFNXSEKMB-JOCHJYFZSA-N 433.460 4.864 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccco2)c(OCC)c1 170295720 IAGQWFPPGBUEBV-OAQYLSRUSA-N 425.481 4.598 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)o2)cc1 170310579 FGQGOIWNODTISW-JOCHJYFZSA-N 441.524 4.770 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccncc1)c1cccs1 170417708 GHVKVLQQJDDHAR-GOSISDBHSA-N 444.434 4.940 30 10 IJEE Cc1ccccc1[C@H](C#N)C(=O)c1cc(I)ccc1Br 235795667 BAEPVTHHSQODSQ-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE CN(C)c1ccc([C@H]2C[C@]3(C)[C@H](CC[C@@]3(O)/C=C\CO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1 256073373 RCOWGILQXUPXEW-ZXQQZUBRSA-N 447.619 4.932 30 10 IJEE C=CCn1c(SCC(=O)N2CC(C)=C[C@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 436021976 LDVHYZCHVPVVMP-ZDUSSCGKSA-N 437.396 4.955 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC2(CCOCC2)[C@@H]1C 460373244 DIZMDSIBXCJIIV-SFHVURJKSA-N 428.602 4.551 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 476138540 HSWHKYLXPAXOPW-UHFFFAOYSA-N 432.480 4.553 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 508841736 TZHDEQUFWBLKQF-INIZCTEOSA-N 449.521 4.527 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 522576402 LGMSDVBWLCFINO-DENIHFKCSA-N 448.498 4.557 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)o2)cc1OC 526517018 PPMOHTMKYKXEPM-HSZRJFAPSA-N 430.460 4.924 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)O1 526822528 DUXXQQNCIPISMM-HXUWFJFHSA-N 439.943 4.525 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)cc2)cc1 526829661 ULUMEIJFCCNAHV-IWIPYMOSSA-N 445.504 4.657 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)cc1 548938892 NMUVRXHFJBRDHB-NRFANRHFSA-N 435.421 4.724 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCc2ccccc2)CC1 555187069 WQZWCKYAWSDHEC-UHFFFAOYSA-N 437.551 4.504 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](Nc2ccccc2)C1 558983051 NHPZMWXLSYQMAB-HXUWFJFHSA-N 433.556 4.619 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 559024225 DMFHYAUHAJQSNU-FDDCHVKYSA-N 434.540 4.505 30 10 IJEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)c(F)c1 609255752 KPGQTRZPYYGNPH-UHFFFAOYSA-N 439.899 4.757 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(CC)[C@@H](C)c3cccc(C(F)(F)F)c3)cc2C1=O 642067180 DHRPKONHJCLEJM-AWEZNQCLSA-N 430.426 4.711 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 669807132 BSDXMUNTLRLTLP-IBGZPJMESA-N 436.560 4.513 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 699586262 XTPOBZVSXMNEFZ-YADARESESA-N 445.560 4.655 30 10 IJEE O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(C(F)(F)F)nc1O 731562682 GAKQQUMZTXFSKN-CSKARUKUSA-N 436.393 4.950 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)c2)s1 750280117 FKRSNMVOUXGBEA-OAQYLSRUSA-N 439.581 4.546 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1OCCC)c1ccc(Cl)cc1 810472100 CPCZJALFPKWXPR-INIZCTEOSA-N 438.833 4.577 30 10 IJEE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCc2cccc(Br)c2)n[nH]1 1084289416 NRMLDEBNNWIVCK-UHFFFAOYSA-N 448.394 4.700 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(F)ccc2Cl)c(C(=O)OCC)c1C 1124821015 MZCUMRPXFLZEKP-UHFFFAOYSA-N 425.865 4.621 30 10 IJEE N#Cc1cc(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)ccc1F 1125721617 FNDPIYLZJRCRNT-UHFFFAOYSA-N 439.288 4.777 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(F)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1126612989 NGHSNCDALHODQM-LJQANCHMSA-N 427.314 4.873 30 10 IJEE Cc1csc([C@H](NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C(F)(F)F)n1 1129338036 HGDKWTXGQDCJHR-JTQLQIEISA-N 432.317 4.688 30 10 IJEE N#Cc1ccc(N(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C2CCC2)cc1 1131578656 GEWRYYMRPZPBMB-SFHVURJKSA-N 441.453 4.511 30 10 IJEE CN(CCC(=O)Nc1cccc(C#N)c1)C(=O)OCC1c2ccccc2-c2ccccc21 1135494545 GFVRHGWAGNLPPH-UHFFFAOYSA-N 425.488 4.768 30 10 IJEE C=CC[C@H](C)NC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 1136802270 QPIFKJPFISMWTB-INIZCTEOSA-N 447.560 4.876 30 10 IJEE CC(C)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cnn1-c1ccccc1 1139999421 CVDDEUPAGHIXHJ-KRWDZBQOSA-N 447.926 4.512 30 10 IJEE C=CCN(CCC#N)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1141409331 PNYYUTFYHUZOCH-UHFFFAOYSA-N 435.325 4.844 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1143068538 SNPJGWQVIQKDFE-MMTVBGGISA-N 444.575 4.956 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C(=O)OC)nc1)c1ccc(C)c(C)c1 1144710435 CSWIRKDYGHWTSR-UHFFFAOYSA-N 430.504 4.897 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1 1161580786 SLADLGLGMVZZLJ-HXUWFJFHSA-N 439.556 4.706 30 10 IJEE C=CCOc1ccc(CN(CC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)C(C)(C)C)cc1 1168018957 VHOOWIHGTYBICW-UHFFFAOYSA-N 426.557 4.856 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc([C@H](O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1171649478 KOVGCKFJNWBHGR-JXFKEZNVSA-N 428.451 4.567 30 10 IJEE C#CCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1178955234 VKPYTAIHTRZXDG-OAQYLSRUSA-N 430.614 4.564 30 10 IJEE C=CCn1c(SCC(=O)N2C[C@H](C)OC(C)(C)C2)nnc1-c1ccc(C(C)(C)C)cc1 1188123033 YTQYSFVJVKOYTN-KRWDZBQOSA-N 442.629 4.547 30 10 IJEE COc1cc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)ccc1OCc1cccc(C#N)c1 1194141310 CVAOMDWYDZMJEQ-SANMLTNESA-N 441.575 4.505 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1 1198640060 MMOOEJWYCUGFPN-QGZVFWFLSA-N 439.953 4.851 30 10 IJEE C/C(=C/c1ccccc1OC(F)F)CN1CCN(c2c(C#N)cnc3ccccc23)CC1 1204755457 DJVYTCDRFRUDQH-JXAWBTAJSA-N 434.490 4.933 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2sc(-c3cc(Cl)ccc3Cl)nc2C)c1 1264714425 QJSGUVIIVTZMET-UHFFFAOYSA-N 444.343 4.775 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)cc(OC)c1OC 1278549254 OYHLYNXTIIORKN-GOSISDBHSA-N 448.382 4.913 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(CCCCC)nc1C 1286281564 HZNSJRITCYFKCW-INIZCTEOSA-N 442.970 4.939 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@@H]1CCCCO1 1286360230 FDSKAALGDNTLIA-ICSRJNTNSA-N 430.980 4.717 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1286646707 VAJOLQKTDLHCSU-OALUTQOASA-N 431.625 4.697 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(C#N)o2)CC1 1286653619 BZCZZPZTXHPOOM-UHFFFAOYSA-N 438.329 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(Cn2cccn2)CC1 1286675141 LNQLNJARGFBKAC-UHFFFAOYSA-N 448.615 4.881 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286696657 MDSHQHWUUKRXAC-SFHVURJKSA-N 442.951 4.649 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1c(C)noc1C 1286760578 OTAAWEOYMYNKNQ-LJQANCHMSA-N 442.567 4.984 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](C)N1CCCCC1 1286760762 QVJRKXISPWJLAC-YPAWHYETSA-N 429.653 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286762224 CJWGBNQBMOUQKV-SFHVURJKSA-N 445.608 4.659 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1286823285 LPHYQJYSXGDKBS-SFHVURJKSA-N 425.602 4.630 30 10 IJEE CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1287205661 GQSDYAPHUHSTNV-NRFANRHFSA-N 435.494 4.659 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCSC1 1288952993 GUDUXLKTZNKQIM-PKOBYXMFSA-N 443.592 4.830 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1293907772 GGTZOJBYUXDGIU-ZWKOTPCHSA-N 440.592 4.697 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2(CC)CCCC2)c1 1300332879 QFPJPYCAJTWYHA-UHFFFAOYSA-N 433.600 4.962 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 1300391896 ICGBIHPETCEXAQ-UHFFFAOYSA-N 447.345 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccc(Oc2cccnc2)c(F)c1 1300779940 IQUBUVCGLDCYAQ-RUZDIDTESA-N 433.531 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1300780218 MOKUXIUULNFYQC-SPLOXXLWSA-N 431.371 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCCCOC 1300816788 WAPJJHXDRZFKNE-AREMUKBSSA-N 438.616 4.963 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1300843200 DEPGRSRBTPQXSW-ROUUACIJSA-N 436.442 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1cccc(F)c1 1300924380 ANNRGBYTHYEISO-NHCUHLMSSA-N 430.568 4.817 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCC(C)CC2)CC1 1301075550 IYMYSMIYNIKYRB-UHFFFAOYSA-N 444.023 4.886 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nc(C(C)C)cs2)CC1 1301089477 WNRCBEDVZJHQBF-UHFFFAOYSA-N 437.613 4.857 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1301120107 HQQBSJUORYWPKY-BJKOFHAPSA-N 437.632 4.787 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC=C(COC)CC1 1301240583 CWHCXXLDEYAKIO-SFHVURJKSA-N 442.629 4.507 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC=C(C)C)C1CC1 1301327107 MOSYZLLBVCPIJY-LJQANCHMSA-N 429.609 4.904 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC[C@H]1CCCCO1 1301354794 JKCXYCDAGHASPO-JOCHJYFZSA-N 435.547 4.555 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1301380662 IHWBLGVKMUEXNY-VWLOTQADSA-N 442.611 4.972 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCCCC1 1301399155 HPDNLLZQNQWNQO-UHFFFAOYSA-N 432.616 4.773 30 10 IJEE C=CCn1c(N2CCC[C@H]2c2ccc(CC)o2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473399 AJIOCMORIIRINM-SCTDSRPQSA-N 441.576 4.732 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccco1 1301600838 JWWVGDDDHMLRSP-SFHVURJKSA-N 425.514 4.707 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1301601813 JHVIPYSPHKWVKC-SJORKVTESA-N 436.025 4.553 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1Cl 1302323995 CSNINWOBSNTIHF-BOCKYXSRSA-N 445.970 4.535 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2nc(C(F)(F)F)cs2)o1 1304318054 DZNCHMAFUGTJNQ-GOSISDBHSA-N 436.463 4.500 30 10 IJEE CCC1(Cn2c(-c3nnc(O)c4ccccc34)nnc2N(CCC#N)CCC(C)C)CCC1 1305906063 CBQNTKSZNXVSDB-UHFFFAOYSA-N 447.587 4.940 30 10 IJEE CSc1cccc(F)c1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1316417962 HFYCZYHILFPWPV-GCJKJVERSA-N 429.565 4.559 30 10 IJEE COC(=O)c1c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)sc2c1CCC2 1350240275 ANDVMVSPXFDICI-UHFFFAOYSA-N 432.501 4.726 30 10 IJEE C=C1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)CC1 1351937061 NULPORLLPKHNRM-UHFFFAOYSA-N 445.629 4.536 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(Br)c(Br)c1 1352067656 DWBXDGGBUFTVTI-UHFFFAOYSA-N 439.122 4.555 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1 1355824292 UIZJWEKBRRKNEA-UHFFFAOYSA-N 438.281 4.686 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CC(C)C)CC1 1358920911 KPSSZURDHOTITD-UHFFFAOYSA-N 448.640 4.568 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCC[C@H](C)C1 1359003202 BQXWYRKXSXZDNL-UFYCRDLUSA-N 439.673 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCC(C)CC1 1359065186 KCRUAIJTFJHSNP-SHQCIBLASA-N 433.644 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC(C)C 1359066586 HFLKUNOMEQPNSV-JOCHJYFZSA-N 445.405 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C1CC1 1359092600 CVGAXBDTNHKYDB-PXNSSMCTSA-N 445.405 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(Br)cc1 1359099866 UJJRIYUPRNKTBT-NQIIRXRSSA-N 447.421 4.857 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359128879 IPIPAGAOQJFQCY-AKIFATBCSA-N 438.616 4.697 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnn(CC)c1 1359144113 XNLXHIOWMXCVLD-UHFFFAOYSA-N 449.990 4.958 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccs2)CC1 1359182368 DMRJPIYIXZKURY-HDICACEKSA-N 443.617 4.561 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC)CC1 1359202284 OMYMXNHHIRLXDO-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CCC2)CC1 1359210827 JGDYCDCKLRNOIB-UHFFFAOYSA-N 444.421 4.657 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359211879 RJCLKPDYGHZUFB-IYBDPMFKSA-N 431.378 4.775 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1cc(Br)cs1 1359244998 YSRFHLIUABEPID-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C)nc1 1359263600 GIKUGFXQWBQCOI-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCSC(C)(C)C1 1359344638 FFLVPNQPRXVFBQ-UHFFFAOYSA-N 427.643 4.601 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnnn1-c1ccccc1Cl 1434997717 SGIUAQYAGJTSQP-UHFFFAOYSA-N 449.711 4.651 30 10 IJEE C=CCOc1ccc(CC(=O)N(CC)C2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 1435239139 FKBYTPAYMGJDSJ-UHFFFAOYSA-N 436.600 4.533 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(N(C)Cc4ccccc4)cc3)n[nH]2)c1C 1441890397 VUZXYIVBCSXKRA-UHFFFAOYSA-N 440.551 4.965 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 1454585327 WRGYJHYSDKEEDQ-UHFFFAOYSA-N 440.551 4.659 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1458616866 APYAYARHBBZZNX-NTKDMRAZSA-N 427.573 4.960 30 10 IJEE CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(Br)cc1C#N 1459412220 CXXHSXTXWFZOJC-UHFFFAOYSA-N 427.321 4.915 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1ccc(Cl)cc1F 1460790277 SGXJUGJNTSJNJI-SFHVURJKSA-N 432.680 4.532 30 10 IJEE COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3cccc(Cl)c3C#N)s2)cc1 1463106775 HMDZJOQEMJPMHV-CYBMUJFWSA-N 447.969 4.692 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)cc1 1465258552 WPNAJLLHILBFRT-NRFANRHFSA-N 447.576 4.931 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F)C1CCOCC1 1469112944 LYPHBGYCHYIYEU-VXKWHMMOSA-N 430.520 4.504 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F 1470667146 POQZCYZDPPINIW-MSOLQXFVSA-N 429.706 4.883 30 10 IJEE C#CCN(c1nc(-c2ccccc2)ns1)[C@@H]1CCOc2ccc(Br)cc21 1472697144 YMIVMQXAKJOWTK-QGZVFWFLSA-N 426.339 4.931 30 10 IJEE C#CCN(C(=O)Nc1ccccc1-c1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1 1477225481 HVQQWZDIGRWSPM-UHFFFAOYSA-N 440.569 4.677 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CCCc2ccccc21 1477478053 KVUDLLPJRWECLH-UIOOFZCWSA-N 431.580 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C/C=C\c1ccccc1 1507523684 QBSNGPUAFGFNJK-QIENPNARSA-N 427.371 4.940 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1coc(-c2cccs2)n1 1507526397 GVSVMASOCSJDIM-ZDUSSCGKSA-N 441.919 4.960 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(SC)CC1 1507764246 KRNODJUDDKLMSI-FDDCHVKYSA-N 440.613 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1noc2c1CCCC2 1507819118 ZUQKHLDGVADCNF-UHFFFAOYSA-N 441.963 4.925 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CCOC)CCCC2)CC1 1507885909 STUMUKZGMIBEKX-UHFFFAOYSA-N 430.543 4.900 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1507923493 WVPGZKWEZPRTPR-HSZRJFAPSA-N 431.584 4.914 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](F)COC 1508008601 HJTVTQHVMNTQKX-SFHVURJKSA-N 437.544 4.732 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1508153510 ZWYMGORLEDYVBO-JTSKRJEESA-N 435.037 4.548 30 10 IJEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1509563949 FQZYHVCBULHBTR-FQEVSTJZSA-N 442.558 4.563 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(F)(F)F)cs1 1509947722 CEAKWESSAVXRDE-NSHDSACASA-N 440.882 4.860 30 10 IJEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCCC2)C1 1514619140 IBGHSMIVJCCJFE-HSZRJFAPSA-N 434.632 4.955 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1517845393 REKQXEYOXLATBD-SIBVEZHUSA-N 442.600 4.661 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H](C)C2)c1 1522842880 IHLNPLXNUZLMMG-SFHVURJKSA-N 447.000 4.984 30 10 IJEE COc1ccc(Cl)cc1C(F)(F)C(=O)OCc1cc(Br)cc(C#N)c1 1524682743 HBFOMYXKIFQNNX-UHFFFAOYSA-N 430.632 4.818 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)c1 1529648279 XQZMDZBCXFHPRK-TZIWHRDSSA-N 439.577 4.790 30 10 IJEE C=CC(C)(C)CC(=O)N1CCOC[C@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1538295264 WZYFZGBGWBFWSV-RBUKOAKNSA-N 428.573 4.745 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1539082300 QKEBLZRUBIHGJD-OFNKIYASSA-N 438.616 4.819 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(C)s1 1539621963 DFBYEOICEMCOTB-KNQAVFIVSA-N 438.597 4.941 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539694658 GRTMFURZVSIFOO-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=CCn1c(SCC(=O)Nc2nccc(C(C)(C)C)n2)nnc1-c1ccc(Cl)cc1 1539795080 KJJGAKRTNOAAQV-UHFFFAOYSA-N 442.976 4.603 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539801783 IHHMFHIVRLAXSH-NHCUHLMSSA-N 425.964 4.603 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@](C)(O)CCC)CC1 1539828867 QBGJCUOLCUYZEF-YADARESESA-N 428.577 4.524 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2csc([C@H](C)OC)n2)CC1 1539845804 BUOHUVCABDTGDG-INIZCTEOSA-N 444.004 4.891 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(F)(F)F)c2)CC1 1539871898 UOPATRHLCIGOEA-UHFFFAOYSA-N 449.521 4.666 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(OC)ccc2OC(F)F)CC1 1539891119 YKLFEJNDRVQWIE-UHFFFAOYSA-N 434.531 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1539911217 YIALODCQCHOSKC-XMMPIXPASA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)CC(F)(F)F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539928631 DGAZJMGTNFJDDW-GASCZTMLSA-N 445.530 4.650 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@H]1CCCN(C(C)C)C1 1540135883 CHAMSAYZLMAQPB-HXUWFJFHSA-N 425.596 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCN(CCC)C1 1540154475 XNQHJDFDFMELCD-OAQYLSRUSA-N 430.600 4.712 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1N(C)CCCC1(C)C 1540164448 OZMQFONFGBQERX-QHCPKHFHSA-N 446.599 4.899 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@@H](C)N1CCc2ccccc2C1 1540182155 KOBCFNYGQWFQPT-OAQYLSRUSA-N 433.600 4.676 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(Cl)s2)C1 1540896496 NBXXWVWATWCMPQ-QGZVFWFLSA-N 448.951 4.541 30 10 IJEE C=CCn1cc2ccc(NC(=O)Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc2n1 1558514142 NNLSDCMTTRAPEI-UHFFFAOYSA-N 446.551 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)c(Br)c2)CC[C@@H]1C(F)(F)F 1559282459 SJRPQSPPJNUHLV-ZFWWWQNUSA-N 448.283 4.603 30 10 IJEE C#CCOCCSc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 1559307895 SYXAAQPVHPRFTB-XWSJACJDSA-N 429.561 4.735 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cccc(F)c2F)n(-c2ccc(F)cc2)c1C 1559702851 FFKIXNCANXQUAJ-CQSZACIVSA-N 426.442 4.672 30 10 IJEE C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1568490053 BYTJIWSBHOFYHE-IERDGZPVSA-N 449.904 4.946 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1c(I)ccc(Br)c1F 1583437392 RKZUGRFRQSZVND-SECBINFHSA-N 440.094 4.667 30 10 IJEE C#CCCN1CCN(C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 1584028014 JLBNTIXNDCYDKJ-NRFANRHFSA-N 433.404 4.994 30 10 IJEE CC(C)N(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCN(Cc2ccccc2)C1 1584564657 AJAOUBHGAFCMOG-HSZRJFAPSA-N 443.547 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(O)(CC)CC 1587562092 LAQYHYYVNFWNFR-ZWKOTPCHSA-N 432.996 4.697 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1587808199 NURBDCGCVHQIPI-NHCUHLMSSA-N 436.604 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1588298103 TXTIGXDPFKGKHJ-WMZHIEFXSA-N 449.624 4.558 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@H]1CCO[C@H](C)C1 1588446092 XWVAJENJWXLKHL-FGZHOGPDSA-N 438.616 4.954 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1csc(CC)n1 1589037312 XUDYFPLMBSXTRH-UHFFFAOYSA-N 448.621 4.515 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1589097742 WIWRAMPISYAOBH-LJQANCHMSA-N 429.659 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1C 1589505989 QJNCWLALTABSEL-VBQJREDUSA-N 437.407 4.739 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1594497321 FMWVBZYVLNGWJV-JTHBVZDNSA-N 443.680 4.865 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1594497604 JYQNTOZFZNSICQ-PKTZIBPZSA-N 438.616 4.960 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](C)C1 1594559571 MVHCCGMKNRDLDS-VQTJNVASSA-N 448.615 4.811 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C#N)C1 1594567865 RZXRIQWFBNJYHR-ICSRJNTNSA-N 443.979 4.773 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1594600020 GGNXGIYRAZQEIQ-IBGZPJMESA-N 446.555 4.850 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1594739255 QMMHVMUDFDCCDH-LEWJYISDSA-N 430.543 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)NCCC 1595148991 FZMYGXOTVDEJGR-UHFFFAOYSA-N 447.967 4.518 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1cc(F)ccc1SC 1595222802 KQBSBDRAPVUQQY-UHFFFAOYSA-N 429.590 4.722 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(O)CCCC2(C)C)C1 1595680780 MYYFNAZWHUQQAE-TVZXLZGTSA-N 438.616 4.543 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCSCc2ccc(C)cc2)C1 1595723272 UGPSEYGWCKRSEK-JOCHJYFZSA-N 426.630 4.959 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl 1597190049 FYBWGHHBGXHKSI-MRXNPFEDSA-N 434.849 4.857 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)c1 1598216631 WBNCNRQFLLCDOD-XXBNENTESA-N 439.577 4.831 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2sccc2Br)o1 1612028576 DLQBKRQVNPJSHE-UHFFFAOYSA-N 446.374 4.849 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](CC(C)C)C2)n1 1612510595 ANOBDMYRALISAZ-QFIPXVFZSA-N 431.588 4.593 30 10 IJEE C=CCn1c(SCc2ccc(C#N)cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 1613284395 YJEBYWJCJBVPJW-UHFFFAOYSA-N 438.534 4.595 30 10 IJEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC2CCCCCC2)C1 1614193760 FQRZQIYUMULSDQ-FQEVSTJZSA-N 437.588 4.704 30 10 IJEE CC[C@H](Oc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3O)N(CC)C2=O)cc1)C(=O)O 1614236457 YWQACMVOPZYELC-PBUZGHSBSA-N 440.521 4.567 30 10 IJEE C[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N1CCN(c2ccc(F)cc2)CC1 1616747367 AXYKTOOSIQWNMU-IBGZPJMESA-N 444.510 4.639 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1617819404 BHENMQZTUCVLRU-UHFFFAOYSA-N 436.560 4.650 30 10 IJEE C=CCCO[C@@H](C)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1618459640 YWVCPECTHHUBGZ-NRFANRHFSA-N 448.563 4.685 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2cccc(-c3ccccn3)c2)nnc1-c1ccco1 1618811975 IGKZXAUPLLKSSX-UHFFFAOYSA-N 432.505 4.874 30 10 IJEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1620183513 CRFZMXHXRVULHA-UHFFFAOYSA-N 435.601 4.508 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CSC(c3ccccc3O)=N2)cc1 1627568013 BUPSVELBFOFZTP-LJQANCHMSA-N 445.500 4.565 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 1628396862 MSLFDAPLFNWALP-HNNXBMFYSA-N 445.541 4.727 30 10 IJEE C=CCCCN(CC)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1636854446 AYINMQCRKFTLLX-KRWDZBQOSA-N 425.367 4.830 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1(C)C 1638563077 DLJNWCQUUANDMT-SFTDATJTSA-N 435.524 4.772 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)cnn1Cc1ccccc1F 1639143039 ZAHNLNKCPMTIRD-LJQANCHMSA-N 430.524 4.567 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)cc1OC 1640839525 SVCWKZSKSYEXCW-ZQAUEJBPSA-N 431.891 4.666 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)C1 1641029782 LHJQDTAUMGRGBB-KSSFIOAISA-N 429.413 4.660 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(Cc3ccccc3)C2=O)nc2sc(C)c(C)c2c1=O 1643464874 SHYNZHFSVWNPAR-GOSISDBHSA-N 439.606 4.544 30 10 IJEE C=CCOc1ccc(C(=O)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)cc1OC 1653189775 RLEJTFMRKVUHGW-UHFFFAOYSA-N 438.524 4.806 30 10 IJEE C=CCCCN(CC)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 1656402182 NTABLQUDIYAHTL-UHFFFAOYSA-N 438.597 4.950 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C(C)C)[C@H](O)c2ccccc2)cc1OC 1657279561 BAOBDMNLJMEBMA-LEWJYISDSA-N 434.374 4.870 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCCC4=O)cc3)cc2)nc1 1658735809 BJFDCVNIUQXVMU-UHFFFAOYSA-N 441.491 4.584 30 10 IJEE C=CCCCCCCNS(=O)(=O)c1scc(Br)c1Br 1663248041 SVQFQAODIXKUQP-UHFFFAOYSA-N 431.215 4.688 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Nc1ccc(CC#N)cc1 1665115129 AHFWXJNLLIUOAL-GOTSBHOMSA-N 434.540 4.796 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)n1 1665655012 NWNDQNUZZWJVCB-UHFFFAOYSA-N 448.379 4.924 30 10 IJEE C#CC1CCN(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)CC1 1666193161 OLFRMBMACGUSJI-UHFFFAOYSA-N 429.879 4.617 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1666452789 LAIKARBCXHSWNT-WIRGQOOTSA-N 445.629 4.752 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C1CCOCC1 1667537693 GYFQCFNXYGIHGA-FQEVSTJZSA-N 443.425 4.919 30 10 IJEE C=CCN(CCOC)C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1667643271 CJPDDZHNTSITGX-UHFFFAOYSA-N 438.959 4.579 30 10 IJEE CN(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 1668018093 BZDKCBLWPQJQEN-FQEVSTJZSA-N 448.958 4.977 30 10 IJEE C=CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1 1668518979 NLWMYYRAQAQZLF-UHFFFAOYSA-N 427.976 4.616 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1F 1670129027 CEODKZBIUPUCTD-DIFFPNOSSA-N 433.270 4.917 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 1670415844 WBPQPLVRLCEIQG-MUKKUYKPSA-N 430.467 4.750 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1 1674518736 JXTPCZWYMPQAIL-QHCPKHFHSA-N 430.504 4.821 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1675135209 DBQPTQPWGDMHNO-MRXNPFEDSA-N 440.341 4.969 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(C(F)(F)F)cc1 1679968280 NLKQPNNBAMJLKN-ACRUOGEOSA-N 439.522 4.655 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(Cl)c1 1680872923 CXFSRFBNYARIQY-UHFFFAOYSA-N 443.256 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 1682155630 BLIYHSNFZMHQJV-YHBQJITHSA-N 432.362 4.588 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](O)COc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1685817542 QQKSBDCAHWEKGV-AZUAARDMSA-N 440.437 4.591 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 1686363950 ZMMAGIKQZAEAQC-UHFFFAOYSA-N 433.350 4.777 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1689828190 LVVGJBAPDHZTSZ-QKLQHJQFSA-N 444.526 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cnn2ccccc12 1689841809 OGERKTLEJQNPKL-FQEVSTJZSA-N 442.567 4.524 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1689876507 BKFCDCYLHHLSML-WIYYLYMNSA-N 428.552 4.612 30 10 IJEE C#CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(CC)[C@@H](C)C1 1689919256 HWDBJZMDZFRWNY-SFHVURJKSA-N 437.588 4.757 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)C(C)(C)C1 1690185456 ZVRVTYHPWWUYGH-GOSISDBHSA-N 444.670 4.818 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690242968 FYFZMPSRMYTGJL-HDAAZOAOSA-N 430.543 4.962 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1690288460 ZUIFSLMMILEKLM-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)CC[C@H]1C 1690451561 JUUJIISNNUOCMC-ZWKOTPCHSA-N 429.996 4.843 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1690483763 WEOZWKPUQMOBDO-RTWAWAEBSA-N 426.561 4.845 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)C)C1 1690492015 NNOPZBWPHDJKHS-IBGZPJMESA-N 439.387 4.991 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCN(CC(C)C)C1 1690563414 QKPQKSGXUWEOCF-DEOSSOPVSA-N 446.643 4.844 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCNC(=O)c1cccs1 1690563459 RXCVTEAHQLWJOY-UHFFFAOYSA-N 447.564 4.531 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1690629985 OJTHUHJEKFDVPY-IBGZPJMESA-N 443.345 4.672 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1690736877 RATAWEAFFHJEKB-FQEVSTJZSA-N 446.523 4.622 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)c1ccco1 1692343474 HQLXSLXUQWIOLG-HSZRJFAPSA-N 441.963 4.865 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC2(C)CCOCC2)c1 1693015483 CBRLOSLBDFVCBJ-FQEVSTJZSA-N 439.604 4.702 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1697149072 GJQXXPKSGJNHFM-UWUFEASWSA-N 437.588 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(OC)nc1 1705478464 BUOPAPWAVQTBKD-CQSZACIVSA-N 437.956 4.723 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705528799 SGSAQQXMOOUKJV-QFIPXVFZSA-N 446.599 4.511 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1705541313 FLSXWSGERUEFTB-XPQZIERPSA-N 428.552 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCCCC1 1705670601 BIMOJPSEQRGPFO-HSZRJFAPSA-N 429.971 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1705677138 CKLBVXCBMPQRIX-XLNZFTOWSA-N 442.991 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(F)(F)F)c1 1705718219 DNJLKPKAFIBFMO-UHFFFAOYSA-N 445.489 4.656 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1705732994 HKNWKQPGTFHPML-VQTJNVASSA-N 442.604 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1705766109 NBVMJNJXCBAPKE-VXKWHMMOSA-N 432.616 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(c2cccc(OC)c2)CC1 1705789162 AJVSUUPYESEUOX-UHFFFAOYSA-N 432.572 4.730 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705809412 QIJHWGQOMOILTD-OAQYLSRUSA-N 434.588 4.558 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1705813014 SCAJNBBOLKZUBA-UHFFFAOYSA-N 443.020 4.965 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1705867461 ODMYWAHEMVCFCJ-TZIWHRDSSA-N 443.661 4.894 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1705887875 NEFNSJBZEUPZCN-LPHOPBHVSA-N 445.995 4.914 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1705942815 FLWUCZNQOAAHAH-UHFFFAOYSA-N 437.613 4.559 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1C[C@H](C1CCCCC1)N(C)C 1711072621 GMFAPHFATVUGEH-XMMPIXPASA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC1CCN(CC)CC1 1722281925 ZUEKYJUUNUCGJW-UNMCSNQZSA-N 437.632 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@H](c1cccnc1)C(C)C 1722474777 QLHAREOAFHSRFP-RPLLCQBOSA-N 427.596 4.890 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1)c1ccccc1 1722539998 GRHWGKLPDDFYNO-JOCHJYFZSA-N 449.624 4.529 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1722604947 PJCLLRUCQBOZLO-IBGZPJMESA-N 433.641 4.963 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1oc(CC)nc1C 1722633287 RSNGUEKJKFMEST-UHFFFAOYSA-N 430.556 4.882 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1ncccc1N(C)C 1722663335 XVKOOTSYRKJNBW-UHFFFAOYSA-N 448.571 4.848 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1722741327 HWMZXNAWZXZFBV-UHFFFAOYSA-N 427.376 4.827 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCC(C)CC2)n1 1726212816 BVDIVWBIDWWJTH-UHFFFAOYSA-N 431.588 4.735 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cccc(C)n1 1740647972 BANMFUQOVFRIPC-UHFFFAOYSA-N 438.362 4.661 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740713431 LGADMMBOJFVTIY-RTBURBONSA-N 442.629 4.590 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCCc2cnn(C)c2)CC1 1740821450 JPZLVRHMLFGPKZ-UHFFFAOYSA-N 448.615 4.893 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1c(C)nn(C)c1C 1740850943 SBYJEPALXUFUKR-UHFFFAOYSA-N 445.615 4.870 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1csc(C(C)(C)C)n1 1740895371 YLFKVXCXMJSWIU-UHFFFAOYSA-N 441.601 4.581 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(Cl)nc1)C1CC1 1740906629 QFPLKCAGCJJUCR-OAHLLOKOSA-N 427.911 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(OC)CCOC1 1740922823 UAPGOKFFGDKVCR-DEOSSOPVSA-N 438.597 4.567 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1741000292 XKNINKNIINDCPA-UHFFFAOYSA-N 429.634 4.757 30 10 IJEE C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2Br)C1 1743076908 FRRPBILTJFPYPH-CQSZACIVSA-N 442.386 4.925 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC(C)(C)C(F)(F)F 1748688149 YXJHACZDSDFZLT-CQSZACIVSA-N 426.508 4.625 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@H]2CCOC2)CC1 1748724238 PBQUWMSFYCDKOP-QHCPKHFHSA-N 436.600 4.530 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCO[C@@H]1C(C)C 1748773644 ALPFWNKNWNPNFK-HNAYVOBHSA-N 428.989 4.944 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(OC)cc2)CC1 1749293828 VVODACVIRRNTGJ-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCCCO)CC1 1749330922 RUFUDLRNAUEFBD-UHFFFAOYSA-N 447.004 4.615 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1749343982 XCOBWZOVQOPJLP-QFIPXVFZSA-N 437.975 4.707 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749393454 VXBXPFKPAXQWBH-UHFFFAOYSA-N 425.577 4.574 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC)C1 1749403177 YDENPUFPIMTTRY-PMACEKPBSA-N 431.625 4.985 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@H]2CCCCO2)C1 1749701498 VBKNODYMLHSOTH-DHIUTWEWSA-N 438.616 4.983 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1760276379 BOZGTRHXIWNJKG-QGZVFWFLSA-N 427.961 4.603 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](COC)C1 1760351995 OOASVJKJSWAELD-IBGZPJMESA-N 444.645 4.731 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1760385444 QXFVGFVPPBGSPT-WMZOPIPTSA-N 431.378 4.537 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1760390456 GZBDWEHLLCDPIU-SFTDATJTSA-N 439.623 4.921 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1C(C)(C)C)c1ccccc1 1760420470 PKPAWZGXZWKVCW-RTWAWAEBSA-N 439.604 4.650 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCCC[C@@H]2C)C1 1760540238 DNVBMJJXQFGYRI-SFTDATJTSA-N 441.595 4.520 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 1760566981 LYLTUXBTVXSXQE-MRXNPFEDSA-N 428.499 4.706 30 10 IJEE CN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CCOC1CCCCCC1 1767208523 CDXBEZOOZAWUEG-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE COc1cc(C=NN=C2S/C(=C\c3ccccc3C)C(=O)N2Cc2ccco2)ccc1O 1772757123 AESUKNNXBZTMBM-GMYAVPHDSA-N 447.516 4.809 30 10 IJEE CCCOc1ccccc1/C=C1\SC(=Nc2ccc(C(=O)O)c(O)c2)N(CC)C1=O 1772762756 PLSWDAUQPNDWGG-OCFWRVAFSA-N 426.494 4.503 30 10 IJEE C=CCOC(=O)Nc1ncccc1O[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1 1858703446 ATATYPDGWHFJHP-IBGZPJMESA-N 431.492 4.817 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1C#N 1859742117 ROSZUGZKYYXEOE-UHFFFAOYSA-N 435.823 4.960 30 10 IJEE COC(=O)c1c(NC(=O)C(=O)Nc2ccccc2C#N)sc(C)c1-c1ccc(C)c(C)c1 1860749101 RWAUMLOLUGWXGJ-UHFFFAOYSA-N 447.516 4.576 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2c(F)cccc2Cl)cc1 1862397779 SBUURDNJAAHHTL-QKKBWIMNSA-N 445.918 4.781 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862398294 SVHBMTFTPFAZPL-NRFANRHFSA-N 438.480 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862415915 BFLCMURHEKQQBX-LJQANCHMSA-N 431.341 4.615 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCC)c(OC)c1 1862509345 FVRVAEXTRPUVNK-QFIPXVFZSA-N 441.499 4.920 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc(Br)ccc1F 1862567417 RURZNCHOIBQLRW-ZMZPIMSZSA-N 447.304 4.547 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OC)c(OC)c1 1862596312 LWBYEOGJJVZRLP-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862649016 OYMFUZYZCUIADA-GBXCKJPGSA-N 427.500 4.906 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862663413 RDTVSBIXQVFQTC-QHCPKHFHSA-N 437.536 4.822 30 10 IJEE Cc1ccc(C)c(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862944802 HBGGOQSAJNQZCV-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@H]1c1ccc(C)cc1 1865188246 WBEMQQOVWUWEKO-JOCHJYFZSA-N 448.611 4.695 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3cc(C)ccc3C)sc2c1 1866101185 LOTWCXGZNGQTCD-UHFFFAOYSA-N 441.578 4.528 30 10 IJEE Cc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cccc(OCc3ccccc3)c2)cc1 1870141191 DZTPOODKTGSTJL-CCEZHUSRSA-N 435.487 4.678 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2cccc(F)c2)cc1 1870157687 JHGDONSWJIDJAS-NTEUORMPSA-N 433.487 4.889 30 10 IJEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccccc1 1870348850 ONFGOXYJPPJDLT-UHFFFAOYSA-N 429.564 4.774 30 10 IJEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(F)c1 1870882364 CLJZPHNISPRYKX-UHFFFAOYSA-N 428.891 4.897 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccccc2CC)cc1=O 1871006594 NHRGODZHLBVICE-UHFFFAOYSA-N 425.532 4.759 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c1 1871371757 HCOOIXKOCAPMMC-QRVIBDJDSA-N 434.419 4.607 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871422564 RACLMCVVDXSOMQ-CFRMEGHHSA-N 427.456 4.831 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871449038 ROPOEUYZKJTZAU-NQRZERFFSA-N 442.471 4.615 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCCN4CCCCC4)cc(C)c3C1=O)cn2C 1871451258 LYFJLDJKMFOLHC-QFEZKATASA-N 446.547 4.976 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871754223 QKDHVUSJXOPQQQ-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 1871857252 IPOJACNOFZEXPY-JOCHJYFZSA-N 432.561 4.754 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872384877 PUMBXIRIMWQRFL-IERDGZPVSA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(OCC)cc1 1872479396 OJJQEINGBBODFR-HSZRJFAPSA-N 444.597 4.632 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872542047 MDPLNVJLYYFZMU-OAHLLOKOSA-N 441.380 4.814 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(F)cc4F)CC3=O)sc2C)cc1 1872726064 INYIYUJTLYMOBO-UHFFFAOYSA-N 427.476 4.512 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1 1872874476 KNOBQMWENZGGTB-UHFFFAOYSA-N 431.923 4.753 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(F)c(F)cc3F)C(=O)N(C3CCCCCC3)C2=O)c1 1873240062 BDOVHLMHRDNJQD-UHFFFAOYSA-N 439.437 4.890 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615676 CADIJIBIZZUQJT-UHFFFAOYSA-N 433.462 4.802 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666299 MPXRGVINKDKQGU-QZTJIDSGSA-N 433.556 4.751 30 10 IJEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874365766 TYMNDSFBQDFPFX-FSJBWODESA-N 428.945 4.869 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)c(O)c1 1874371652 KGAOBQJGLFWQEK-OEAKJJBVSA-N 436.562 4.711 30 10 IJEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874437897 YVQMVGMWJJPPHW-AFUMVMLFSA-N 440.544 4.952 30 10 IJEE CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cc(Br)ccc1O 1874524647 YUEPIKMVJLTXCB-SRZZPIQSSA-N 431.359 4.792 30 10 IJEE Fc1cccc(Cl)c1/C=N/n1c(S)nnc1CCCOc1ccc(Cl)cc1 1874570607 ZOOPIAHNRMLWIM-SSDVNMTOSA-N 425.316 4.907 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(OC)c2)cc1 1874609258 HFJHTPNKZAFIII-RNYZQXAPSA-N 445.515 4.856 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)cc2)c(OC)cc1Cl 1874630375 UROADGYAZQSCOG-JXMROGBWSA-N 432.900 4.831 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCO1 1874663518 OSKKYSISFCBMEQ-DNQXCXABSA-N 441.616 4.631 30 10 IJEE CCCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC 1874717223 FYOWCZDMSUWELX-FMIVXFBMSA-N 428.481 4.713 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3ccccc3OC)n21 1875046805 JNRONRZQCSLGPV-KRWDZBQOSA-N 432.590 4.575 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4ccc(C)cc4)on3)cc21 1890928254 AYDAXZUHCMYSLN-UHFFFAOYSA-N 431.492 4.840 30 10 IJEE N#Cc1ccc(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1951404414 BWGYAZLQWINUQM-VWLOTQADSA-N 440.499 4.873 30 10 IJEE C=C(COC)[C@@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071351819 SLHJOHBOZNJUDB-SXOMAYOGSA-N 433.548 4.669 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1 2079002926 RAIULDYIHRIEEZ-NIQDBXHUSA-N 435.309 4.871 30 10 IJEE CCCc1ccc([C@H](CC)n2nc(CC)c(C=NO)c2I)cc1 2080037365 ZKUDIYQDMKSURB-KRWDZBQOSA-N 425.314 4.810 30 10 IJEE CCc1nn([C@@H](c2ccc(SC)cc2)C(C)C)c(I)c1C=NO 2080106251 WDDYZSLCUSQERG-MRXNPFEDSA-N 443.354 4.826 30 10 IJEE CCOP(=O)(OCC)c1c(C(F)(F)F)nn(-c2c(F)cccc2C(F)(F)F)c1N 2080393404 PETGHXMNIVOUTI-UHFFFAOYSA-N 449.263 4.523 30 10 IJEE N#Cc1ccc(NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)c(F)c1Br 2086059295 FRIHKEJPANWOHU-LBKMDBTOSA-N 444.304 4.719 30 10 IJEE N#Cc1ccc(Br)cc1N[C@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2156350990 CIOIHFUTMLHUME-HXUWFJFHSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Br)cc1C#N)c1ccccc1 2181144926 ZLRWDUVLMJXDGH-UHFFFAOYSA-N 430.302 4.701 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@]1(C)CCN1C(=O)OC(C)(C)C 2237729529 LNKAACMBSNWIHZ-PGRDOPGGSA-N 435.406 4.958 30 10 IJEE C#CC[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2244546118 HDNBPFAUTWCZBU-UNVFRBQDSA-N 444.575 4.954 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1ccccc1Cl 2245957947 KPRQOWASHIPPSQ-VGSWGCGISA-N 427.928 4.759 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2255535146 QPXJZBNDSKPYTE-VQTJNVASSA-N 427.394 4.845 30 10 IJEE C=C(COCc1ccccc1)C1(OCCCN)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2262619392 KKVLJJGHOXFBSL-SVBPBHIXSA-N 434.624 4.796 30 10 IJEE CC1(NC(=O)OCc2ccccc2)CCC(O)(C#Cc2ccc(Br)cc2)CC1 2264187772 IWRWGCLXERTJQS-UHFFFAOYSA-N 442.353 4.791 30 10 IJEE CC1(C)OB(c2ccc(O)c(C(=O)N(Cc3ccccc3)Cc3cccs3)c2)OC1(C)C 2267815033 FOJIFOJJRPOOAE-UHFFFAOYSA-N 449.381 4.596 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc2)OC1(C)C 2282184047 NTVJBKDZZKUTKD-UHFFFAOYSA-N 441.380 4.871 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](O)(C#Cc3ccc(Br)cc3)C[C@@H]21 2296282365 VYGPQRGFGFHGGK-ZWCUEREDSA-N 434.374 4.731 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2296283465 HFDLTVQHAVSROH-FUMNGEBKSA-N 433.390 4.567 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H](C#Cc2ccc(Br)cc2)NC)C1 2296293477 JZIYXYQXPKLBFG-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 2296299696 YJYHOBVRHZWDHS-YSIASYRMSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC[C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296304521 IGNPZHAMCXDBJJ-SYYJFZTOSA-N 435.406 4.992 30 10 IJEE N#Cc1cc(N2CCC(c3nccnc3Oc3cccc(C(F)(F)F)c3)CC2)ccn1 2296586885 JDQWFAYEGLIAJN-UHFFFAOYSA-N 425.414 4.938 30 10 IJEE C=C(C)COc1c(Br)cc(C=C2N=C(c3cccc(F)c3)OC2=O)cc1OC 2297328207 QNBPSCYZVKQKSE-UHFFFAOYSA-N 446.272 4.896 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccc3c(c2)OCO3)C1=C(O)c1ccccc1 2297739917 FDTHNGJTNWRROE-NRFANRHFSA-N 433.847 4.695 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 2297740376 UOUANPRDIDIDAM-QFIPXVFZSA-N 445.446 4.629 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1Br 2303785047 ZIIAZCMYGRRMNW-LLVKDONJSA-N 437.787 4.640 30 10 IJEE CCCNC(=O)COc1c(OC)ccc(C=CC(=O)c2ccc(C)cc2)c1Br 2323153718 ZKANVHDBLXCNCY-UHFFFAOYSA-N 446.341 4.567 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccco4)c3C)C2=O)c(OC)c1 2323160642 KOSFGJSFIWEGRK-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE Cc1cc(O)c(CN2CCC(N(C)C)CC2)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324161780 UCCWAJIQTQYXFV-UHFFFAOYSA-N 434.580 4.966 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)NCc1ccco1 2324439013 AKAUWAYKLRUXEY-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324471082 RQYMIKOULCNSIL-OAHLLOKOSA-N 433.435 4.857 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c1 2324630804 CUFDHNLTCAMYMR-KRWDZBQOSA-N 438.480 4.865 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)s1 2325447214 WNWHOZQONXVJRD-OAHLLOKOSA-N 449.532 4.740 30 10 IJEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Br)cn1 2325669711 RHBQDLGLTSJYEB-UHFFFAOYSA-N 437.293 4.644 30 10 IJEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)c1 2325669802 OTRCJLHQRCLFGV-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)COCc1ccccc1 2325721658 QOOIXUZWOJJVTQ-UHFFFAOYSA-N 447.443 4.622 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2327117252 GMHTWCHDGUOVKF-UHFFFAOYSA-N 439.541 4.891 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)c1 2328641147 VMBBIYCTWMZTKT-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(Br)ccc1O 2329414256 PGOOWJWIASOZOI-UHFFFAOYSA-N 445.386 4.948 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1cnccn1 2331228686 GWSGGWJCHPCPQT-UHFFFAOYSA-N 447.447 4.516 30 10 IJEE Cc1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2331359018 RAHWFGWXOYWEEH-UHFFFAOYSA-N 425.514 4.672 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)c1 2331733849 UMJVZLUKRPAWOW-UHFFFAOYSA-N 444.564 4.867 30 10 IJEE CC(C)(C)OC(=O)NCC1(CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339585908 WEMBWEPJAJQQQV-UHFFFAOYSA-N 444.381 4.800 30 10 IJEE CC1(C)OB(c2ccc(COc3cccc(F)c3Br)c(F)c2)OC1(C)C 2369067284 CJUUKGXFGBYPAQ-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE Cc1cc(CNC[C@H]2CN(Cc3ccccc3)C(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369693925 ITQUNHUYRIANQM-DEOSSOPVSA-N 448.460 4.685 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21 8958712 YPRWPKYYMJOSOG-UHFFFAOYSA-N 430.504 4.795 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1 21077927 UMRWNXSHJKATHR-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)ccc1O 21256050 PAFDHJXWBVJXCU-CTNGQTDRSA-N 449.547 4.830 30 10 IJEE COc1ccc(Nc2nnc(S[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)s2)cc1 23362233 DYXVFTMRVGBEIC-DBWCEAHUSA-N 445.614 4.702 30 10 IJEE COC(=O)c1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 34955294 LJNGJHDAQVUDLS-NSIKDUERSA-N 446.455 4.606 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)cc1 41655537 DFISAXWCMZODEO-NHDPSOOVSA-N 433.485 4.503 30 10 IJEE CCOc1ccc([C@@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102552097 QHCGQWKEZYLONQ-RKKARLDVSA-N 444.443 4.754 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 102701729 XVQVRCRYVODVRV-FEYWKWKCSA-N 444.487 4.504 30 10 IJEE COc1cccc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)c1OCc1ccccc1Cl 169936648 NBOYGQRXKWMTFB-NRFANRHFSA-N 442.968 4.796 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170027858 SICCIVBDXBEGHA-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(C)c2)cc1C 170145122 KKCHLSJLCMDAAU-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)cc1C 170166411 KDAJFAPYMUODAP-OAQYLSRUSA-N 443.565 4.767 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccnc2)cc1C 170182906 MKRRJPVPORSWIU-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccnc2)c1 170186545 YPYRSAORFVDHDW-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)cc1 170224966 KVCAHIPUEQCZLU-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccc(O)c1 170263290 PQJZZHQZFVWYSS-IBGZPJMESA-N 434.517 4.812 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)c1 170272059 CXDVRCUQYKOHPE-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)o2)cc1C 170307704 KSLURKJCGCZNSF-HSZRJFAPSA-N 446.503 4.859 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 170338439 RKCQGFHDWXIXLP-XMMPIXPASA-N 442.515 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)c(Cl)c1)c1ccco1 170367163 RAPXSKITMGBEKZ-SFHVURJKSA-N 431.778 4.700 30 10 IJEE COc1ccc2nc(Nc3c(C#N)cnn3-c3cc(C)c4cccc(OC)c4n3)sc2c1 170547663 YBHNALCTSDHZRG-UHFFFAOYSA-N 442.504 4.971 30 10 IJEE N#Cc1cnc(Cl)c([N+](=O)[O-])c1Oc1ccc(Br)cc1Br 207002452 HQWWNQNCXMHTII-UHFFFAOYSA-N 433.443 4.832 30 10 IJEE C=CCn1c(SCC(=O)Oc2ccc(OC)cc2)nnc1C12CC3CC(CC(C3)C1)C2 253566265 ISPSZKBZXIVDML-UHFFFAOYSA-N 439.581 4.638 30 10 IJEE Cc1cc(C)cc(NC(=S)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c1 254866050 WSRUFKYXBUARDV-UHFFFAOYSA-N 432.524 4.680 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1cc(Br)ccc1OCCOC 480891392 IIUFPPDRSIWRQJ-UHFFFAOYSA-N 425.348 4.756 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2nccn2C)cc1 517530515 VEJNWTFTALOGEC-HRAATJIYSA-N 435.553 4.734 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)c(O)c2)c1 526603568 FOBAZQQLZAARFI-XMMPIXPASA-N 442.471 4.815 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC(C)=O)cc2)cc1 526604549 OTUJYCOCZLRONR-DEOSSOPVSA-N 440.455 4.549 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(OC)cc1 526821018 WADGZHSUPVUJMT-MTJSOVHGSA-N 431.359 4.786 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2cccc(C(=O)OC)c2)cc1Cl 526826042 JZUCKYYDTJUAEO-MSXFZWOLSA-N 444.944 4.681 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 549653985 HHMIACVYCBUQOI-GOSISDBHSA-N 438.551 4.734 30 10 IJEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC2CCCC2)CC1 549838422 GCUACXUQTJJRHV-UHFFFAOYSA-N 437.588 4.560 30 10 IJEE COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 610103756 CHQHVURMHJJLHU-HNNXBMFYSA-N 433.895 4.703 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@](C)(C#N)c1ccc(Br)cc1F 698434259 AIGAVEOWVSSVRS-IFXJQAMLSA-N 427.314 4.743 30 10 IJEE C=C([C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C(F)(F)F 705476556 BRBAWNREWQMXBM-YTQUADARSA-N 430.511 4.972 30 10 IJEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)c1cc(Br)c2c(c1)OCCCO2 712311517 JKLMGWUENKKMPF-MRXNPFEDSA-N 437.334 4.965 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(c2cccc(Cl)c2)C(=S)N[C@H]1c1csnn1 731430805 PLSLKBYZWHWQNO-SFHVURJKSA-N 444.944 4.767 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 769944335 DFQSNXRJSSNRQA-HSZRJFAPSA-N 439.515 4.769 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 799602357 OMZXIGXJVDDGSQ-OAHLLOKOSA-N 429.307 4.727 30 10 IJEE C#CCN(C(=O)Nc1cc(OC)c(Br)cc1Br)C1CCCC1 810214750 IAYHFPXCSWGPEW-UHFFFAOYSA-N 430.140 4.630 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1)c1ccc(F)cc1 812748752 XVBNBHGISNFFLY-LJQANCHMSA-N 443.272 4.568 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)OCc1ccc(SC(F)F)cc1 1125057967 ACHRUSMECQVIPT-UHFFFAOYSA-N 428.254 4.758 30 10 IJEE C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1125313390 HILZIAOXCORJLU-HXUWFJFHSA-N 435.568 4.595 30 10 IJEE CCc1cc(C(=O)Nc2nc3cc(C#N)ccc3n2CC)c2c(CC(C)(C)C)noc2n1 1127748283 CXTNRDDUNQJQKR-UHFFFAOYSA-N 430.512 4.867 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 1128194251 ZCMDKBSQXRLSOX-CQSZACIVSA-N 437.462 4.814 30 10 IJEE C=CCC[C@@H](C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[nH]1)c1ccccc1 1134978033 FSYOIZDNMGRRSW-OAHLLOKOSA-N 442.313 4.801 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2NCC2CCCCC2)ccc1F 1138139058 CUSYXVBKYYHGAZ-UHFFFAOYSA-N 445.560 4.535 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 1139804356 DQMAGALSRKAZDR-IZZNHLLZSA-N 427.523 4.702 30 10 IJEE C=CCn1c(S[C@@H](C)c2nccc(N)n2)nc2scc(-c3ccc(C)cc3)c2c1=O 1164417796 DPOGBUZFYZOKAN-AWEZNQCLSA-N 435.578 4.845 30 10 IJEE C=C(CC(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1166013560 XFRRILOMEOIDCT-ICSRJNTNSA-N 434.552 4.646 30 10 IJEE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1Br 1191844831 FPSWLTZVMWYSLE-VFNWGFHPSA-N 436.394 4.884 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2Cc3cc(Br)ccc3C[C@@H]2C)cc1C 1192323365 CICABWIZJMQVIJ-SFHVURJKSA-N 440.385 4.759 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCCC1(C)C 1246509695 PTNQYCMEHVVOJN-LJQANCHMSA-N 431.378 4.911 30 10 IJEE C=CCN(C(=O)c1ccc(N2CCCCCC2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1269219591 HCCORWTZACUWCD-RUZDIDTESA-N 434.580 4.870 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCC[C@@H]1C 1286278996 SELYCRVCADHXFL-GSRZOBFVSA-N 445.007 4.697 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1c(C)noc1C 1286518775 JSRSIFQGPGAMDC-NBGIEHNGSA-N 433.556 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@](C)(O)c1cc(C)oc1C 1286528383 YLIBUBVOCDULII-KAYWLYCHSA-N 446.595 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCSC1(C)C 1286579926 ROQJFVQODZDOLG-INIZCTEOSA-N 438.601 4.528 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)N(C)C 1286582688 DRZQGZZPVBWFIG-HNNXBMFYSA-N 426.392 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCOCC1 1286667586 KEPRVFGQDKWDMN-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1)c1ccccc1 1286678439 WWCHSGPNRPGYSL-ISKFKSNPSA-N 447.631 4.886 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(C)(C)C)c1ccccc1 1286681329 LYIBOYAAYHDNCY-FSSWDIPSSA-N 426.605 4.844 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(COC)CC1 1286705089 PMUSHBLVAMWDIG-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)C1 1286806974 ZEPSUONJHQCOEG-XPNTWCBSSA-N 438.616 4.876 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)s1 1294083511 NHTQEWQECAEITP-HXUWFJFHSA-N 443.956 4.931 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 1294377828 JGMNLWQZWFDRHO-CQSZACIVSA-N 434.430 4.955 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC1(COC)CCCCC1 1300591158 MSIZVSYGYJACDO-UHFFFAOYSA-N 448.611 4.534 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1300742282 DCTZGADLYRCEED-HNNXBMFYSA-N 428.508 4.615 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C)[C@@H]1C 1301152438 YYPIPKFXIVOVTN-QKLQHJQFSA-N 428.602 4.723 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OCC(C)C)CC1 1301209125 MJPMUQGVWSLUBD-UHFFFAOYSA-N 449.958 4.618 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301248726 KKBLMOWLMFZNJJ-MRXNPFEDSA-N 433.478 4.798 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@H](F)C1 1301338485 ZOGJOCNAKKDCAK-RTWAWAEBSA-N 435.547 4.603 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1301380660 IHWBLGVKMUEXNY-RUZDIDTESA-N 442.611 4.972 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@@H](F)C1 1301390659 MFMVBKXIPSXZQV-UYAOXDASSA-N 447.599 4.709 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC(C)=C(Br)C2)cc1 1301524901 DRIPFGAVQCZLFM-UHFFFAOYSA-N 445.405 4.969 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(CC)C1 1301530974 CBCDAFGWZXERKR-XMMPIXPASA-N 437.613 4.873 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H]1c1cnn(C)c1 1301603546 BOQBTVTYPNQJNQ-IBGZPJMESA-N 428.993 4.593 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cccs2)ccn1 1302636154 GMNDRVICRKDHNT-UHFFFAOYSA-N 432.578 4.680 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(OC)CCCCC1 1305660859 ATMGYGSJNRXJCK-NFBKMPQASA-N 425.552 4.611 30 10 IJEE C#CC[C@H](NCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1 1307632446 JHXGQMGXESMOQX-QHCPKHFHSA-N 441.531 4.630 30 10 IJEE N#Cc1ccc(CN2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c(Br)c1 1308069100 AQOLKVJYHHGKFM-UHFFFAOYSA-N 440.263 4.778 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cccc(CN2CCSCC2)c1 1308311537 RQICPTGONSDYON-UHFFFAOYSA-N 431.399 4.622 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CCCC1 1310042792 KNWDYXBNNKABQC-KDURUIRLSA-N 433.618 4.611 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)CC1 1316535094 DLUGCALHUZYSHC-SFHVURJKSA-N 434.034 4.859 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(F)c(C#N)c1)c1ccc2c(c1)OCO2 1349399322 WEYJZLPVWBABJL-UHFFFAOYSA-N 430.435 4.838 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 1352553619 XUYGEITUACEGMN-UHFFFAOYSA-N 444.409 4.529 30 10 IJEE C=CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1nc(-c2ccccc2)cs1 1352763712 NJIFAHBAUDFSHE-UHFFFAOYSA-N 437.477 4.712 30 10 IJEE C=CCN(C(=O)C[C@H](C)n1cc(Br)cn1)c1nc(-c2ccccc2)cs1 1355120164 RELMGFBTCPGXQF-AWEZNQCLSA-N 431.359 4.939 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(COC)CCCCC1 1358873926 PYVLMSKDYXQJGM-MOPGFXCFSA-N 428.552 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C(CC)CC)N(C)C 1358882538 BYIWGKBHHYBLAZ-JXFKEZNVSA-N 446.437 4.532 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CC(C)(C)C1 1359020162 TYPIGYYFROXSGX-QGZVFWFLSA-N 426.630 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1(CCC)CCC1 1359066215 RVZFCVZKFOLYGL-HXUWFJFHSA-N 430.394 4.998 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359068071 MUMLDMYPOIKGIZ-XMERXJNXSA-N 437.607 4.833 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@@H](F)c1ccc(Br)cc1 1359068918 UFVKOANIGUMHSV-DYESRHJHSA-N 442.336 4.739 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1359084426 HHXILYSFTOCANM-FQEVSTJZSA-N 442.405 4.716 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccco1 1359085434 NXVXFXRDKIZMGR-KRWDZBQOSA-N 431.309 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(CC)C1 1359093695 QWSUVICQVZYKND-KDSXSNECSA-N 440.588 4.570 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCCC)CC1 1359203799 WCGWXILKZMTXAV-NFBKMPQASA-N 440.588 4.932 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1359217547 DFAMHIIVQCWRHT-UHFFFAOYSA-N 449.643 4.763 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@@H]1C(C)C 1359235443 ZUWKCDADXCLXBZ-WMZHIEFXSA-N 436.556 4.800 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1ccnc(SC)c1)C1CC1 1359253401 DMZWLVCNMIMYFV-UHFFFAOYSA-N 441.988 4.831 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CCC1=CCCCC1 1359260204 WULCFKUPWXYLSP-UHFFFAOYSA-N 425.552 4.639 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1cccc(F)c1 1359268521 SRLODVYIJIZEME-INIZCTEOSA-N 427.911 4.779 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccccc1 1359799253 CJUCSOSHUMXJBN-LJQANCHMSA-N 432.973 4.959 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC2(C3CC3)CC2)c1 1435625573 OWCQXXQVTMIHNK-UHFFFAOYSA-N 444.984 4.641 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)OCC 1438907317 BHPLVQUIJINLQH-JOCHJYFZSA-N 437.927 4.820 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC 1440711781 BGKPJMGTBSQXHJ-VQTJNVASSA-N 432.561 4.617 30 10 IJEE C=CCNc1ncc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)s1 1450543004 QCDVZRJYRXAGRM-OAHLLOKOSA-N 438.528 4.932 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 1454658444 ZBZCOJSTKCPUBF-MRXNPFEDSA-N 432.870 4.626 30 10 IJEE CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)o1 1456596540 IAZLYVDINJKEQQ-UWJYYQICSA-N 439.943 4.864 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCOc1ccc2c(c1)OCO2 1458829747 ZBVBESWZUGPQKF-UHFFFAOYSA-N 445.928 4.596 30 10 IJEE COc1ccc(CCC(=O)Nc2ccc(Br)c(C#N)c2)cc1Br 1460564502 FBGRVMFZXXIGNM-UHFFFAOYSA-N 438.119 4.663 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1462038478 RXULLBFJQZOKPR-UHFFFAOYSA-N 437.462 4.790 30 10 IJEE Cc1cccc(C)c1OC[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 1463292698 BBQCYEIRAYSUFI-OAQYLSRUSA-N 442.487 4.552 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 1465948318 WQWZQPYDRLFATB-UHFFFAOYSA-N 446.551 4.554 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 1466228387 WAMZJVAWXSXIFU-GOSISDBHSA-N 426.479 4.574 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1)c1ccc(Br)cc1 1478308818 RWBOITAOPYUNQS-FXAWDEMLSA-N 436.353 4.770 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)C)CC1)SC 1496526185 BTLIXCLHNJBHAG-UHFFFAOYSA-N 440.661 4.705 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1507563568 YFGYYSDWHVCKBD-VWNXMTODSA-N 449.643 4.846 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCC2)CC1 1507573449 HLNUGXISMWVYIT-LJQANCHMSA-N 442.007 4.550 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1sc(C)nc1C 1507605143 QMVIXYXSDYNWKW-UHFFFAOYSA-N 444.608 4.738 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCC1(F)F 1507607335 RBRRUPJYVVCRAY-GFCCVEGCSA-N 429.334 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(SCC)c1 1507663905 MPTLBVQYMPTTBO-UHFFFAOYSA-N 429.593 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1ncccc1C 1507818689 UBWFSMOUTQDBGK-UHFFFAOYSA-N 426.362 4.862 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C)CC1 1507840862 USZXACQWHXEGPT-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1507848073 MTVPZAQXCRCDFX-PMACEKPBSA-N 428.552 4.605 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([S@@](C)=O)CCC2)CC1 1507879801 FHJVJUCZEFFFCZ-BJLXPSRBSA-N 449.020 4.529 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507909437 FOAKXSZJJSMABE-UUOWRZLLSA-N 442.629 4.533 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507915840 ZURQRCGBJAZERX-IYWMVGAKSA-N 442.579 4.878 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 1507936055 XEIJIUCZCBBVKB-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](OC)C(C)(C)C1 1507958882 JRKCRVGQYURBGK-GOSISDBHSA-N 439.387 4.706 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCC1(F)F 1507985872 DILZPTGAIRQJFH-SJORKVTESA-N 439.551 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H](c2ccccc2Cl)C1 1519093231 APDCZENYHUBBLZ-OAQYLSRUSA-N 439.943 4.840 30 10 IJEE CCc1nc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)nn1-c1ccccc1Cl 1524180662 HPXJPHHISURVKT-UHFFFAOYSA-N 435.793 4.506 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)COc2ccc(F)cc2Br)C(F)(F)F)cc1 1525704175 OJWZCPTXAKYBKN-QGZVFWFLSA-N 431.179 4.795 30 10 IJEE C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1526992259 GINHVVCVJIJIAG-AWEZNQCLSA-N 438.281 4.914 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1535505615 YVWPJIAAMNSLDQ-OAHLLOKOSA-N 425.641 4.563 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H]2C[C@H]1CO2 1539052995 KOPMVLSWJHZMTH-GIVPXCGWSA-N 442.991 4.859 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(CC)noc1C 1539148709 NOIBSYQFIWAAGD-KRWDZBQOSA-N 441.963 4.665 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCC(F)(F)CC1 1539238692 BIASWJQZTQUQSX-QGZVFWFLSA-N 446.929 4.970 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC[C@@H]1OC 1539305266 VDPOPEAKTZXTDR-RTWAWAEBSA-N 436.625 4.554 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1539526985 YKMZDSCCLBJNAN-NHCUHLMSSA-N 438.641 4.748 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(Cc2cccs2)C(C)(C)CCC)ccc1F 1539546478 BVOGMFZWSKEHLI-UHFFFAOYSA-N 438.590 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539632929 VTNQAVIIMTYABR-MZKUHISZSA-N 447.627 4.789 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CC1CN(C(=O)OC(C)(C)C)C1 1539660032 QDOVZAZBYFCIFY-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1539929259 QBSBAYVIZRHAQP-OAQYLSRUSA-N 439.629 4.909 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOCC)CC1 1540056444 HMNLONBLMGGDDX-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@](C)(O)C1CCCCC1 1540141719 DXUFTZZSKXCEQF-XMMPIXPASA-N 439.629 4.869 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCCN2C[C@@H](C)C[C@@H](C)C2)s1 1540903421 ALIRWFLQMLUFBM-GASCZTMLSA-N 430.083 4.713 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@](C)(OC)CC1 1540912063 LKIHXPWZQPFKTG-DEOSSOPVSA-N 437.613 4.808 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C1 1541378646 FNMWEBYQCCXRQT-FCHUYYIVSA-N 437.588 4.560 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1 1557474874 KHHHQYHCHUGLKC-MBSDFSHPSA-N 442.581 4.751 30 10 IJEE CN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1559586441 DWUUOUGFBUEUAA-HSZRJFAPSA-N 442.943 4.846 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)cc1 1559859357 AYTRPTYTYYFXMJ-MHZLTWQESA-N 431.624 4.662 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3ccc(Br)cc32)cc1 1562262992 FZPMQKNWXXBSBT-UHFFFAOYSA-N 440.341 4.858 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](O)c1ccc(Cl)cc1 1562929047 FVAXHLMKOVIHMH-INIZCTEOSA-N 425.710 4.522 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCCC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2n1 1563302151 UUMABDFIJYZNIU-IBGZPJMESA-N 427.549 4.524 30 10 IJEE C=CCC1(NC(=O)c2cccc(NS(=O)(=O)c3ccc(OCC)cc3)c2)CCCC1 1584635406 AKYYMDXYQOOWTH-UHFFFAOYSA-N 428.554 4.505 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1ccccn1 1588105011 HLXJKFNZNXPBOD-UHFFFAOYSA-N 441.535 4.523 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1593600593 TVORGZCGAHZWDG-ZDUSSCGKSA-N 448.320 4.901 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2c[nH]nc2C)CC1 1594193513 QUGUVQNOEBAUEH-SFHVURJKSA-N 438.551 4.624 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1594455804 WGLCFNWRKRNAET-KRWDZBQOSA-N 431.654 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1594503947 BCDCTDYFXFSKRH-GHTZIAJQSA-N 428.024 4.798 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1594521517 PZCWALIPXJIXGS-NHCUHLMSSA-N 440.636 4.526 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1594544322 IIZDFQUWHZZQNT-ZJSXRUAMSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C2CCCC2)CC1 1594591492 YCUFCBAJBSQGQV-UHFFFAOYSA-N 429.012 4.805 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1594693362 XQXMUYWTDIUQPK-RDTXWAMCSA-N 440.535 4.865 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)OCc2ccc(O[C@@H]3CCOC3)cc2)s1 1595434402 WGTNODTWGHSJJO-QGZVFWFLSA-N 439.986 4.750 30 10 IJEE Cc1cccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1S(C)(=O)=O 1597567907 HGYBVRQZNCSVPE-UHFFFAOYSA-N 440.908 4.968 30 10 IJEE C[C@H]1CC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)C[C@H](C)O1 1612686963 GMYUCLRPAOEFEN-ROUUACIJSA-N 435.597 4.761 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1 1616874436 QQXSIKJUJBMOMX-XMMPIXPASA-N 428.532 4.587 30 10 IJEE N#Cc1ccc2c(c1)CCCN2CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1618201843 FRWRFMAEMCPDPX-UHFFFAOYSA-N 427.348 4.987 30 10 IJEE CC(C)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)Cc1ccc(Cl)cc1Cl 1621786197 AYJORLDRJHWFRH-INIZCTEOSA-N 443.371 4.938 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)C1 1622958152 ZPTDBIKCEPUCSI-HXUWFJFHSA-N 436.987 4.539 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OCC 1625184631 UCRRWISIEXZHDH-CYBMUJFWSA-N 429.332 4.604 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 1625512464 HQQKVKCHKPOSBY-UHFFFAOYSA-N 445.283 4.771 30 10 IJEE CC(C)CCOc1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 1635679450 CHCAYCABDVWMRX-QHCPKHFHSA-N 425.960 4.788 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21)C(C)C 1635870018 SSGXQTKZNSVEBB-HYBUGGRVSA-N 443.547 4.618 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1)c1ccc(Cl)cc1 1636552616 RIIMIOJUEXTGDQ-GOSISDBHSA-N 434.870 4.999 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(Br)c(CC)c(Br)c1 1637757918 NMLXLOWCGGHZLL-MRXNPFEDSA-N 443.179 4.914 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O 1638807281 CKBDIZBBIXWOGC-SFHVURJKSA-N 443.341 4.622 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc4[nH]cc(I)c4c3)cc2n1 1645276236 YFYOKECARBSTRB-UHFFFAOYSA-N 442.260 4.561 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccccc1 1648461259 FMIZBOBGIDUYQT-MYUZEXMDSA-N 446.370 4.522 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1)c1ccccc1 1649005826 XLKMAHUYAAYZKS-NRFANRHFSA-N 439.537 4.611 30 10 IJEE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 1653664366 DSNRGKOULUVYAY-HJPURHCSSA-N 448.995 4.603 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1658744007 HLGRVNQUDCCAPQ-ICSRJNTNSA-N 442.560 4.600 30 10 IJEE CCc1ccc([C@H](COC)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)o1 1661695373 HRHYQGSKSNWIFZ-IBGZPJMESA-N 435.528 4.706 30 10 IJEE C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(Cl)cc1 1662140910 GGEBPIFWVFURTH-CDNVCLAFSA-N 439.762 4.650 30 10 IJEE C#CCOc1ccc(CNCc2cc(Br)cc(Br)c2OC)cc1 1662483937 UBNSSRLMBXPTDH-UHFFFAOYSA-N 439.147 4.522 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCc2ccc(NC(C)=O)cc2C1 1662577087 IRBRARDJRGEIMR-UHFFFAOYSA-N 444.329 4.563 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(I)cc1)c1ccc(Cl)cc1F 1665003564 JNWYJPZNDKEESQ-HNNXBMFYSA-N 428.632 4.580 30 10 IJEE Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1666473467 HFMHASNRFKMJHQ-OAQYLSRUSA-N 445.498 4.984 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@H](CC)c2ccccc2)cc1 1667322381 RRUFDJBNLHGECJ-PKTZIBPZSA-N 441.597 4.683 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)c1 1668176192 CXAKARVFPOSOIP-LJQANCHMSA-N 428.483 4.583 30 10 IJEE C=CCC1(NC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1669713100 UHWWCTQNEMCYIZ-QFIPXVFZSA-N 426.582 4.758 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1 1671187355 RADXSQWKADUOJO-WOJBJXKFSA-N 438.572 4.518 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1COc2cc(F)cc(F)c21 1672214248 IJONJBSJXYPPEP-CQSZACIVSA-N 425.229 4.547 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC)[C@@H](C)C(=O)OC(C)(C)C 1672708187 GTJCZYWKVBUVBP-ZDUSSCGKSA-N 427.339 4.598 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cccc(C2CC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1673124978 FHTGBTLRKNPTCG-SFHVURJKSA-N 425.573 4.669 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Br)cc2Oc2ccc(C)cc2)C1 1673745162 PVBOJFWBEXWUHB-SFHVURJKSA-N 442.357 4.769 30 10 IJEE CC(C)C[C@@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)N[C@@H](C)c1ccccc1 1673983443 DQIRYRMZGDPLEF-RDJZCZTQSA-N 444.377 4.603 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 1675070829 OBRCAUROQLXNDA-YADHBBJMSA-N 427.589 4.715 30 10 IJEE C#C[C@H]1COCCN1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675724369 XUGXUEUVQNYXGV-QFBILLFUSA-N 442.346 4.650 30 10 IJEE Cc1cc(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c(C#N)cc1N(C)C 1678199150 AMDNPKRRRQNPPX-LJQANCHMSA-N 443.954 4.511 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)CC2)c(F)c1 1678801410 GJOBDYYNONDWEY-JOCHJYFZSA-N 426.923 4.724 30 10 IJEE C#C[C@H](NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1)c1ccc(Br)cc1 1682356979 QEDQBNOADPWECM-SFHVURJKSA-N 437.259 4.951 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 1684595260 COSVKVPAPWIFBQ-GFCCVEGCSA-N 437.327 4.804 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC(C)C)CC1 1689848951 DPAHZOLOYUZCSB-UXHICEINSA-N 443.636 4.677 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1689938772 WBDWQBKWHZXRIW-OALUTQOASA-N 426.630 4.898 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCCCOC 1690200440 YMEBPZXMIDVASR-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1690247506 BMCHCBCTQHDJFM-SIKLNZKXSA-N 446.517 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1690271206 HWRBKRTXFLZKJC-AVRDEDQJSA-N 432.996 4.974 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](COCC)C1 1690304498 DTDCTUMWMQOLFM-FQEVSTJZSA-N 426.605 4.698 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(CC)(CC)C1 1690306679 ASXHCFZDZXYJFQ-UHFFFAOYSA-N 425.602 4.521 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(OCC)CCCC2)CC1 1690414879 ONVBNQKHMMQMAI-UHFFFAOYSA-N 438.616 4.824 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690430090 CKPCWWXSXNLPGW-NRFANRHFSA-N 439.604 4.873 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690449569 KVCJWGLVXMSJKO-CTNGQTDRSA-N 426.609 4.759 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCC=C(Br)C1 1690493496 JVDKIKXHAPAHNA-UHFFFAOYSA-N 431.378 4.875 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1c(C)noc1C 1690563033 DWZLSTIKSFNWFZ-GOSISDBHSA-N 428.540 4.941 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21)C(C)C 1690581507 TWUJKBVJMURLJO-NEUULRRLSA-N 436.648 4.987 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCCCCC1 1690585724 TZLIMOFUCPYNOR-LJQANCHMSA-N 428.552 4.821 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Oc2ccccc2)nc1 1690594973 LAYBGKAJKAEQNC-OAQYLSRUSA-N 431.540 4.586 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC[C@@H](O)C1 1690605759 WFMUKUSHIKGPLD-GHTZIAJQSA-N 440.975 4.978 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC1CCCCCC1 1691010112 CLNLYFXYMVQFPZ-HMXCVIKNSA-N 431.625 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1nc(C)c(C)s1 1705481915 OWFPTCUMIGBXFT-CABCVRRESA-N 439.654 4.905 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC2(CCC2)C1 1705512671 KMNGTSMGVSCBMT-UHFFFAOYSA-N 443.389 4.900 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)c1nc(C)cs1 1705556710 SWCQXECOIWRYFA-SFHVURJKSA-N 437.613 4.927 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCCN1CCCC[C@@H]1C 1705677723 ZDQMCDPWUHRPCF-WNCULLNHSA-N 449.643 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705706007 OHVXHNIBQKKZSH-SRUXOGRHSA-N 430.637 4.632 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCCCN2CCCC2)CC1 1705783879 YVSZBKVJVUFMOJ-UHFFFAOYSA-N 425.596 4.677 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCC[C@@H]1CCCCO1 1705859897 IGFMPGLEYDZCOK-QFIPXVFZSA-N 430.556 4.687 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C(C)C)N2CCCC2)C1 1705918049 BIRWHLRLMPSSMJ-DENIHFKCSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC(CN(C)C(C)C)CC1 1705944632 NBNYSUKFIMNQLL-UHFFFAOYSA-N 427.662 4.729 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722312327 CSXGJHCWGLNUIR-UHFFFAOYSA-N 447.627 4.676 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(C)s1 1722419633 BCBQHXMGEOQTLZ-HXUWFJFHSA-N 438.597 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCSC1 1722495877 IHIXTTMUAAKQBL-VPWXQRGCSA-N 449.020 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(C)CCCS1 1722498061 MVTRPEAIVKGITG-FGZHOGPDSA-N 431.005 4.788 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1722526545 YBIZPNLKHVFICE-YTFSRNRJSA-N 438.616 4.611 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCCC)CC1 1722529394 ZMPJZOTZBXEPIF-NRFANRHFSA-N 432.996 4.977 30 10 IJEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1722537296 XGPKCKIUJRPNGY-UHFFFAOYSA-N 440.588 4.641 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2cccs2)CC1 1722566657 WOHQHLYRPBQALU-UHFFFAOYSA-N 443.617 4.659 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722590160 AVSYOKIEVYEONV-UHFFFAOYSA-N 427.637 4.767 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1C/C=C\CC 1722663205 WDSJQCYVMVXMBH-YVMONPNESA-N 432.553 4.814 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCc1scnc1C 1722666500 VBUUHIBZNRMZBM-UHFFFAOYSA-N 444.402 4.894 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 1740566544 AGNHEELVJJGZHY-LJQANCHMSA-N 444.023 4.796 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740594161 CYNMYXDHNUQHAL-KNQAVFIVSA-N 431.411 4.887 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)C1CCCCC1 1740665000 LSSGTAAGWMHHJA-UHFFFAOYSA-N 434.415 4.976 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1740782333 NKECTJNOIQBFOS-VQIMIIECSA-N 437.371 4.633 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](COC)C1 1740787538 FSNQACWULNXYPQ-OALUTQOASA-N 444.645 4.587 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@@H]1C 1740859345 KUOHKCMLDRJYFU-AWEZNQCLSA-N 439.785 4.942 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCSCC1 1740860396 CUIKCSVGGRNRGU-UHFFFAOYSA-N 425.371 4.756 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(c2ccccc2)CC1 1740880738 METHZHFUBCRKMF-DHIUTWEWSA-N 437.632 4.880 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(OC(C)(C)C)nc1 1740927837 PKMLKSXHZHZHRK-UHFFFAOYSA-N 448.527 4.652 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1ccc(F)cc1 1740937821 PRJKUZMBLFKFJO-LJQANCHMSA-N 438.547 4.727 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1741000045 SHYWLCKMZIYSDD-NRFANRHFSA-N 437.613 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1ccnc(OC2CCCCC2)c1 1748677938 NPGMFXOAOLOYMB-NRFANRHFSA-N 443.595 4.790 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCOC[C@H]1C 1748834478 POEXZOSSHBMRRD-UYAOXDASSA-N 448.567 4.558 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1749024452 QUKCFUAIQASMQA-LPHOPBHVSA-N 432.540 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCC[C@@H]1C 1749073343 MCLDTGIWDRSOHI-WXVAWEFUSA-N 449.643 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1749127424 LRILUUYVIYOQGB-ZEYPLWLESA-N 433.556 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1749144180 STFGWGOXSAOIDO-PPJWLVRDSA-N 438.616 4.951 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](c1ccco1)N(C)C 1749147416 IATPPGCGVFBQQU-QFIPXVFZSA-N 445.571 4.634 30 10 IJEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749261126 LFBYRFTZPZMZPC-QHCPKHFHSA-N 425.964 4.887 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1749367158 RADQMJXHEYJPOZ-DHIUTWEWSA-N 438.616 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1749474159 XOZNMCMBDSSJJA-BTTYYORXSA-N 425.396 4.595 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)c(C)c1 1749560919 DJCWMXGIFVGOIG-UHFFFAOYSA-N 430.325 4.710 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(SC)CC1 1749566147 XCXKGTDOOOHYBP-UHFFFAOYSA-N 449.418 4.790 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1749751087 KONFLEZJRPHYGD-FQEVSTJZSA-N 442.677 4.673 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1760132782 PGNZITZTUQJJHA-UHFFFAOYSA-N 448.592 4.918 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1760178302 HESYSFVMEMRXFV-IBGZPJMESA-N 428.527 4.659 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H](C)CN1CCCCC1 1760240646 XVVZVPVCPLBOQD-RTWAWAEBSA-N 425.596 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1760320319 XBHFILWAFCBQIR-QMHWCDLVSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1760322408 SFGJSJAIFFLTPN-ZJSXRUAMSA-N 436.600 4.847 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CC2(COC)CCCCC2)CC1 1760393635 UEFBKCRTXFBODM-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1760399143 ARWCJGFVCNXPHS-NRFANRHFSA-N 437.613 4.721 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)CCC(C)C)CC1 1760399248 FORDWVPRAYLJOU-RUZDIDTESA-N 442.604 4.552 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccs2)CC1 1760430846 WCBOTAFEKJRHKK-TZIWHRDSSA-N 443.661 4.941 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)CN1CCCCC1 1760456397 OEHPKFHZYDEZHM-RBUKOAKNSA-N 432.012 4.816 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)COC 1760482059 QUFUVWWVTVUCIW-INIZCTEOSA-N 444.377 4.511 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C 1760485427 BYULNRFNFLYEPX-MZKRTTBSSA-N 430.618 4.790 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1762938844 FIGLYBOVEUMUJY-OYRHEFFESA-N 446.643 4.762 30 10 IJEE CCC[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1763714108 DJCDDGXBTPTTGY-CPJSRVTESA-N 439.604 4.716 30 10 IJEE CO[C@@](C)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1)C1CC1 1767987854 FFGHSANTKJQIHO-QFIPXVFZSA-N 441.988 4.983 30 10 IJEE COC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CCCCC1 1769758388 FKXNQMPUCOZQSB-MSOLQXFVSA-N 429.540 4.502 30 10 IJEE COc1ccc(/C=C2\SC(=NN=Cc3ccccc3OC)N(Cc3ccco3)C2=O)cc1 1772758035 WKCSTEDCZFEZML-KGXKECERSA-N 447.516 4.803 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F 1860725506 PWBYYSWHVXNZEU-FPYGCLRLSA-N 427.067 4.572 30 10 IJEE Cn1nc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1-c1ccc(F)cc1 1860838054 LIVLKXHWDUFOHB-UHFFFAOYSA-N 439.450 4.602 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C(C)C 1861840481 RTKWWOVSHXLEDB-HSZRJFAPSA-N 432.605 4.552 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1862216471 NWOLIBFSGANAQS-PXDATVDWSA-N 434.580 4.505 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc3cc[nH]c3c2)cc1C 1862402835 INAZYBBHLPWGBZ-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc([N+](=O)[O-])c1 1862417972 BXAGBOYSAYTEPI-IBGZPJMESA-N 430.407 4.642 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862457799 YJGYTVAPWHFWAM-NWXLUKJOSA-N 445.437 4.967 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 1862468538 QXHYUWOHEZDWPZ-KPZWWZAWSA-N 432.289 4.965 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccccc2F)cc1 1862474965 ZLMTZMVPVLRCSO-QHCPKHFHSA-N 436.527 4.588 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(CC)cc1 1862501424 BVKNFPWUZSCAMU-JOCHJYFZSA-N 425.500 4.701 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862534588 SLIGVUHNPHDHBM-DEOSSOPVSA-N 445.563 4.650 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(F)cc2)c1 1862556131 PNIWHZCHNHSEQN-QHCPKHFHSA-N 430.479 4.619 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2F)c1 1862560662 KTSJWDLOZFZYLM-HSZRJFAPSA-N 448.469 4.942 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 1862593086 BYPQZIQOBSYPJA-QFIPXVFZSA-N 448.475 4.769 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1 1862722690 XDBMBLRQOMJNSL-DEOSSOPVSA-N 427.500 4.968 30 10 IJEE CCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867010015 BHBPFKHAZALDHK-BJKOFHAPSA-N 433.552 4.764 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(C(C)(C)C)n1 1867968853 ZKAFSFPZLRYOLZ-UHFFFAOYSA-N 426.008 4.933 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCC(O)CC2)nn1-c1cccc(Cl)c1 1870061715 DQLUUTFZTAOJFD-UHFFFAOYSA-N 433.984 4.571 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(OC)cc1 1871223822 JRMUOAPQFRGGHO-UHFFFAOYSA-N 434.536 4.893 30 10 IJEE CCCCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCOC)cc1 1871251554 KVRDCTDAXUKIND-UHFFFAOYSA-N 445.563 4.900 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)cc1 1871254472 XKEGITGGYAEYOH-UHFFFAOYSA-N 425.488 4.861 30 10 IJEE CN(C)CCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(-c2ccccc2)cc1)C3=O 1871346476 IIEQNLLSFMEYQN-XYGWBWBKSA-N 426.516 4.683 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)cc1OC 1871460163 YJYVOGQPPXSSCR-UCQKPKSFSA-N 445.471 4.646 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871817534 SKEWYVBGMPFASN-FQEVSTJZSA-N 428.598 4.850 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872344972 BHYPLUBXEWDLOO-OFNKIYASSA-N 449.661 4.648 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2cccnc2)C1=O 1873269324 PXBQCVUKSGARGX-UHFFFAOYSA-N 434.540 4.593 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1O 1874207619 RCDMAJZSORYSGM-WSDLNYQXSA-N 443.370 4.887 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1/N=C/c1ccncc1 1874288713 FDCOBZFHJMJRKN-CVKSISIWSA-N 445.548 4.744 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccco1 1874297387 ZDABUOKAEQKQRK-XQNSMLJCSA-N 433.493 4.587 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)c1 1874309726 KNLZEPZHXATPQF-JVWAILMASA-N 447.539 4.781 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2ccc[nH]2)cc1 1874388018 QHDBGNGREBMXTQ-ZVHZXABRSA-N 432.509 4.588 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)c1OC 1874446936 OIBWQKLMKPLHFG-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(O)cc1 1874454238 HLQCKWSOLBLBMB-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)c1 1874458835 HWZNGQXNDMAPCV-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCCCO)cc1OCC 1874510471 PLJBWEIZOJYYDO-HAVVHWLPSA-N 434.606 4.555 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccccc2F)cc1OC 1874561845 NEDFMKKTDHPXDU-BUVRLJJBSA-N 428.533 4.757 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(S)n1/N=C/c1cccc(Oc2ccccc2)c1 1874565390 XXGBGYIOOLAYPD-HZHRSRAPSA-N 431.477 4.740 30 10 IJEE CCOc1c(/C=N/n2c(S)nnc2CCCOc2ccccc2Cl)cccc1OC 1874568778 QHZSGDZEEYMOKR-OEAKJJBVSA-N 446.960 4.521 30 10 IJEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(NCCCCCCCC)ncnc21 1875230419 YPIVGSJHQITNIG-UHFFFAOYSA-N 429.609 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912150330 RPDRTKWXXZGFNA-YADHBBJMSA-N 448.568 4.997 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@@H](O)c1ccc(-c2ccc(Br)cc2)o1 1922065431 MJRMZCJYPYGLMU-YADHBBJMSA-N 428.326 4.843 30 10 IJEE C#CCCCNc1cc(Br)c(I)c(Br)c1 1931648668 AVLDWPYLHSIWKR-UHFFFAOYSA-N 442.920 4.642 30 10 IJEE C#CC[C@H](C[C@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2020079051 QNSMJAVTYZMTGP-MVERNJQCSA-N 426.601 4.597 30 10 IJEE C=CCC1([C@H](N)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2047974044 SBPGXODCXICAMP-MRXNPFEDSA-N 429.786 4.786 30 10 IJEE N#Cc1cc(Br)cnc1Nc1ccc(Br)c(Br)c1 2065993134 PLCTZSTUGBEYNP-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CCOc1ccc([C@H](C(C)C)n2nc(CC)c(C=NO)c2I)cc1 2080080549 WOSXOSRPEBHRSU-KRWDZBQOSA-N 441.313 4.502 30 10 IJEE CCCOc1ccc([C@@H](C2CC2)n2nc(CC)c(C#N)c2I)cc1 2080128407 OVGRVRLHRAVWFV-GOSISDBHSA-N 435.309 4.710 30 10 IJEE N#Cc1cc2c(cc1C#N)N(Cc1ccc(Br)cc1)N=C(c1ccccc1)O2 2087934771 IKGIDGPCBDVABK-UHFFFAOYSA-N 429.277 4.953 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)c(N3CC[C@H](OCc4ccccc4)C3)c2)OC1(C)C 2116148600 SBROTOWXXHXHGO-IBGZPJMESA-N 447.306 4.800 30 10 IJEE C[C@@H]1C[C@@H](C)N(c2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2118156607 MSIVGOUNURRABF-CHWSQXEVSA-N 426.330 4.684 30 10 IJEE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(c2cc(Br)cc(F)c2C#N)C1 2118192785 SNNCWBDGRJZUNC-ZDUSSCGKSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CN(c1cc(Br)c(C#N)cc1F)C2 2174811141 URVWTOQLHMXHMA-JLTOFOAXSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181103049 KQGCTKNQWAOBOQ-CQSZACIVSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC(=O)Nc1ccc(C#N)cc1Br)C1CCC1 2181106176 SNDHKQAZCHCLEW-HNNXBMFYSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Oc3cc(Br)cnc3C#N)C[C@@H]21 2198816040 SJPBVQRLAMMKKJ-UNEWFSDZSA-N 436.350 4.663 30 10 IJEE CC1(C)OB(c2ccnc(Nc3ccc(Br)cc3Cl)c2F)OC1(C)C 2266050137 BSPPHCPJCZDBAD-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CCCC1(C(=O)Cc2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266279232 OLWXWDLORZCJRE-UHFFFAOYSA-N 426.326 4.903 30 10 IJEE C=CCC1([C@@H](NCC)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2278360808 WJYPZBASOVYVCG-HNNXBMFYSA-N 445.423 4.983 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CC(F)(F)F)C(=O)C#Cc1cccc(Br)c1 2278733484 UXXNBRGTRWLOHG-QGZVFWFLSA-N 434.252 4.606 30 10 IJEE CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C#Cc1ccc(Br)cc1 2296221805 LYZFCPQYRSTAAR-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc(C(=O)C#Cc3ccc(Br)cc3)c21 2296228195 WMPAWQXIXKLIDD-UHFFFAOYSA-N 426.310 4.981 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296280201 XVXYMBLKFGXJOE-GUDVDZBRSA-N 435.406 4.718 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2296291611 QMUKKKNAYXZJLN-ICSRJNTNSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H](C)C[C@H](C)CN1C(=O)OC(C)(C)C 2296299747 YVKWETWBGLPFFY-FIYPYCPBSA-N 435.406 4.670 30 10 IJEE C=CCN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=Nc1cccnc1Cl 2314540689 WDQHPEAIKFDEBV-UHFFFAOYSA-N 426.885 4.989 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=Nc1cccc(C(=O)O)c1 2314547218 FALLCUBNJJTADW-UHFFFAOYSA-N 438.505 4.582 30 10 IJEE N#Cc1ccc(CSc2cc(I)ccc2Br)nc1 2316461963 HZDXCZOJYZJMGT-UHFFFAOYSA-N 431.096 4.613 30 10 IJEE C=C1CC(Nc2ncc(I)cc2Br)(C(F)(F)F)C1 2319818579 UOODSIDAXVFEFT-UHFFFAOYSA-N 433.009 4.512 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc([N+](=O)[O-])cc2)C4=O)cc1 2321946985 LMWKIRWZORPEON-UHFFFAOYSA-N 444.443 4.572 30 10 IJEE CCc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCn2ccnc2)C4)cc1 2322107040 OKAKFSMSXJTTJM-UHFFFAOYSA-N 429.520 4.612 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCC(=O)OCC(C)C 2323081257 DTOYOYPVYZDRPV-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 2324197207 QMAYBQMRMMBXSG-GOSISDBHSA-N 433.479 4.987 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)OCC(C)C 2324381456 XKENIPZFHGRVMN-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE CCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324651967 MHPPGLZBUOBWSD-UHFFFAOYSA-N 449.503 4.926 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccccc1Cl 2326269297 UQCQFRJWMDHIBQ-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2326315361 BDJPRAYDECIXTK-UHFFFAOYSA-N 425.514 4.667 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2326513753 UGLAXFFUAHFVDB-UHFFFAOYSA-N 431.905 4.721 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(OC)cc1 2329622223 VMFSLHRDNHWHCL-UHFFFAOYSA-N 444.944 4.535 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCC)c(OCC)c1 2329758534 YVGZHORUPMKVST-UHFFFAOYSA-N 440.544 4.966 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C(F)(F)F 2330616164 DTZOCLDITKCBFH-UHFFFAOYSA-N 429.734 4.621 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(C(C)(C)C)cc1 2331165726 UYJBYVLOVIMTEL-UHFFFAOYSA-N 439.585 4.678 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)cc1C 2331172954 SANOLISZSQRNAC-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3ccc(Cl)c(Br)c3)C2)OC1(C)C 2342482679 OBVRSEARLAFUQM-GOSISDBHSA-N 428.563 4.801 30 10 IJEE N#Cc1ccnc(OCc2ccc(I)c(Br)c2)c1Cl 2350070092 JLSPXSNXKUPNLB-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE Cc1ccc(C)c(S(=O)(=O)/N=C2\C=CC(=O)C(Sc3nc4ccccc4s3)=C2)c1 9030585 ULMICLMKJFJLAK-HZHRSRAPSA-N 440.571 4.858 30 10 IJEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2C)cc1 32943133 VUJPPKGTQULDKW-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc(OC)c(O)c2)C1=O 35152125 BWIFTZZNFKCPRX-GZTJUZNOSA-N 431.897 4.598 30 10 IJEE C=CCc1ccc(OCCCCn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)c(OC)c1 40250821 NROXDKUOQOWTFT-HXUWFJFHSA-N 433.552 4.578 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1OC 41289546 ZVIHBVUOHTYWTO-JJFYIABZSA-N 434.419 4.987 30 10 IJEE CCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OC)c(Br)c3)nc21 64981195 WOMXFTIMFXEABR-WSDLNYQXSA-N 439.317 4.607 30 10 IJEE COc1cccc(-c2nsc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)c1 97545687 VUHORCDOGIRZIO-UHFFFAOYSA-N 442.500 4.917 30 10 IJEE O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(nn(-c3ccccc3)c1O)N2 101100646 WKBCUTPRVDYOFQ-GOSISDBHSA-N 436.309 4.905 30 10 IJEE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 104537509 YAQYPXMAUVTIED-UDWIEESQSA-N 435.487 4.796 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2C)c1 169937277 HIPURHPBPDQQIP-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE COc1ccc(-c2csc(N/N=C\c3ccc(OC)c(OC)c3Cl)n2)c(OC)c1 169942158 OEVWQFTXTHZBFG-YVNNLAQVSA-N 433.917 4.944 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(O)cc2)c(C)c1 169963186 VCGKFILBXNFXDH-HXUWFJFHSA-N 434.517 4.865 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccnc1)c1c[nH]c2ccccc12 170009742 CYQUVQJUCZHAGH-OAQYLSRUSA-N 445.862 4.705 30 10 IJEE CC(C)COc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170011705 QPJIUBLSOGXKIY-UHFFFAOYSA-N 443.547 4.609 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)nc2c1 170056033 BZGPUTVMYGARIC-OAQYLSRUSA-N 427.435 4.793 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(O)c2)c1 170079186 ZLOZEJYUMDLGNW-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)c1 170097659 SNTRAJTVHPODRG-HSZRJFAPSA-N 442.471 4.938 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc(OC)c1OC 170126870 DSZLZLSPKKOSAW-OAQYLSRUSA-N 434.492 4.564 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccs2)c(C)c1 170160829 AXMHLLNQGOVACE-OAQYLSRUSA-N 433.485 4.877 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)cc1Cl 170174293 RFUQXIKYCPJVMW-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccn2)c1 170176501 OHRPBJWNZYRXNV-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 170190017 MEHZQUKDIXVYRU-JOCHJYFZSA-N 426.428 4.625 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccncc1 170211277 CEAIFKKBHKVQQV-IBGZPJMESA-N 428.916 4.821 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)c1 170238891 JUUPZSVETIXWPP-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)c(OC)c1 170282613 GLIUHWBZKUYBRU-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1C(C)C 170292626 NHPKDUBHBJSXJC-QFIPXVFZSA-N 432.476 4.585 30 10 IJEE O=C(/C=C\c1ccccc1)Oc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254364779 QMDPZZOPWMEPGZ-XVKZYXQSSA-N 432.392 4.568 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 439566978 DPEWCXNXIKXMPP-KRWDZBQOSA-N 448.548 4.756 30 10 IJEE CC(C)N(Cc1cccc(Cl)c1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446633261 GBRCDGQBQMJOFT-UHFFFAOYSA-N 426.948 4.917 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 460787936 FMEUNQVELQJSPX-JOCHJYFZSA-N 446.551 4.588 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Br)cc1F 462163819 LDEGFBBLNFHVQQ-ZDUSSCGKSA-N 436.281 4.955 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 474519671 WFJHIZOZGBNXOG-INIZCTEOSA-N 435.484 4.666 30 10 IJEE N#Cc1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)cc1Br 487965549 GCGGNNDUDHMPOV-UHFFFAOYSA-N 437.297 4.616 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 508832328 JMWLJZRHEZGFCP-DSITVLBTSA-N 444.579 4.547 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc(Cc2cccc(Br)c2)no1 520984221 BORXTIRMCIVPQO-UHFFFAOYSA-N 443.301 4.519 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccn2)c1OC 526522892 SHZKHHLEFWIYIU-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE C[C@H](N[C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 539251002 HPBBHPZLROMHQR-SJORKVTESA-N 446.576 4.760 30 10 IJEE CCN1C(=O)CCc2cc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)ccc21 545399706 MDRCRSRKYVEEMY-UHFFFAOYSA-N 425.488 4.689 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 549283239 YXIZBPOCGHXEIU-FQEVSTJZSA-N 429.653 4.744 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N(C(=O)c2cc(F)ccc2F)C2CCNCC2)c1 585850279 KRHFFNHLSLVYNR-UHFFFAOYSA-N 441.522 4.837 30 10 IJEE N#Cc1cccc(CN(CCC2=CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586178500 WWPBJUROPZEZAM-UHFFFAOYSA-N 425.510 4.548 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cc(C)c(C)cc2OC)cc1 586218085 DOHLUNMDWSUBLG-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670230738 OLTCEBGMCHPPBF-JOCHJYFZSA-N 434.588 4.705 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N/[C@H](C)c1cccs1 733200108 ABVJRLKKJAACBK-NYEWQZJRSA-N 445.997 4.815 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 745881504 RADKONZGXDPMEE-OAQYLSRUSA-N 427.520 4.789 30 10 IJEE CC(=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 767351621 GDPMJHOLILJMIV-UHFFFAOYSA-N 443.285 4.833 30 10 IJEE Cc1cnccc1OC1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 772376103 GGNIMXQNLQZTCS-UHFFFAOYSA-N 432.549 4.743 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 800781018 RYXSRQHZDYMCSN-OAHLLOKOSA-N 444.992 4.511 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)cc1 809884264 FZDNEWYUYPOBKI-QFIPXVFZSA-N 431.540 4.540 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COc1ccc(-c2ccccc2)cc1 1124534232 KZBAHVUDPWCERO-UHFFFAOYSA-N 432.472 4.862 30 10 IJEE C#CCN(C(=O)[C@H](CC)Oc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1126227521 AIJHZSRPZJEELV-UXHICEINSA-N 442.353 4.901 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 1130824773 UYSSZMHVSQKSQP-UHFFFAOYSA-N 434.511 4.710 30 10 IJEE CCC(C)(C)[C@@H]1CCc2nc(NC(=O)CCc3c(C)nn(CCC#N)c3C)sc2C1 1140339740 HMEVBKZOQONNSG-QGZVFWFLSA-N 427.618 4.983 30 10 IJEE C=CC1(CC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1140828609 OHYPRCCTEMYZSX-UHFFFAOYSA-N 434.527 4.559 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 1147941919 JJFLXAFRLVBESX-CHWSQXEVSA-N 435.512 4.979 30 10 IJEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)CCC1 1178552953 ZALCDEHJPBDZQG-UHFFFAOYSA-N 444.556 4.830 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2Cc3cc(Br)ccc3C[C@H]2C)cc1C 1192323364 CICABWIZJMQVIJ-GOSISDBHSA-N 440.385 4.759 30 10 IJEE C#Cc1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1 1209897961 JBVIMBHUIWQZBR-UHFFFAOYSA-N 427.895 4.891 30 10 IJEE C=CCCC1(CNC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)CCCC1 1214481692 PTJCRQYDNWJNIA-UHFFFAOYSA-N 433.618 4.818 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 1227923360 AXQRLBFEOMLDMU-UHFFFAOYSA-N 425.941 4.517 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 1246367342 BVTQGQJURLFNJR-HXUWFJFHSA-N 428.374 4.816 30 10 IJEE C=CCO[C@H]1CCN(Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)C1 1254558706 WEYQTOYQGBGTGZ-SFHVURJKSA-N 425.476 4.623 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(C)c1F)[C@H](Cc1ccccc1)C(=O)OCC 1269219428 BGFVDUQFZSHRQU-LJQANCHMSA-N 448.332 4.699 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)C(C)(C)C 1286272462 AQISVCUYKDPHFV-LPHOPBHVSA-N 437.613 4.896 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC2(CCCCC2)C1 1286683856 ATRYXNFMDGVTRK-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(Cl)nc1 1286720515 XFXSLDGSCGOVDO-UHFFFAOYSA-N 435.915 4.836 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1scnc1C 1286796427 SGTFVAWWVAQDRO-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)s1 1287817574 GVKAHHHKRYBIHD-UHFFFAOYSA-N 447.029 4.669 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCCCC2)C1 1300424422 GNMYMYXBVJAKOA-FQEVSTJZSA-N 441.620 4.924 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1300449486 SCFMCGVLHKCJLD-KRWDZBQOSA-N 432.515 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1Cc1ccc(OCCCC)c(OC)c1 1300799643 CLOKAUGXNMGTFF-AREMUKBSSA-N 447.583 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1C[C@H](OC(C)C)c1ccccc1OC 1300800597 YPINPZZLHIKJPF-JYFHCDHNSA-N 445.567 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300904986 JIDOPHBRZFOUTN-PKOBYXMFSA-N 443.592 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1CCOCC1 1300925273 SUNUTCNTRUKWLG-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 1300925866 IACSTWGENSUSII-UHFFFAOYSA-N 434.588 4.638 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)c1nccs1 1300936848 OLBXATNJNRDEGQ-AWEZNQCLSA-N 432.391 4.980 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC(=O)N(CC)CC)CC1 1301113766 FIMDXCKJHDRSSX-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1nccs1)c1ccccc1 1301165441 HBLYJZUCSPCCTH-NRFANRHFSA-N 430.581 4.717 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1301259489 JMNSIHQIECNQLO-CRAIPNDOSA-N 442.913 4.750 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCCC1 1301359595 MCWDJMULDLRHST-UHFFFAOYSA-N 446.624 4.947 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCCCC1 1301403094 UWARGUZZDOBOQA-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CCc1ccc2c(c1)CCO2 1301413109 PDQHRLDOXPHCGY-UHFFFAOYSA-N 434.584 4.872 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2sccc2c1 1301414397 BAWJWTRFFQLPOQ-UHFFFAOYSA-N 439.972 4.895 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)OC 1301417083 OIDLZPSDPRTDKN-UHFFFAOYSA-N 434.993 4.877 30 10 IJEE N#CCc1ccccc1S(=O)(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 1309198255 HTQCPAMQYZVZKV-UHFFFAOYSA-N 439.364 4.539 30 10 IJEE C#CCOc1ccc(NC(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)cc1 1310303228 PYGOEUSHJJWVHD-UHFFFAOYSA-N 429.561 4.780 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 1310573634 YBBRXNNSRIKHDM-UHFFFAOYSA-N 428.492 4.973 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1CN1CCC[C@H](C)C1)c1ccc(Cl)cc1F 1311499380 WCBBXURYRHFAQV-GAJHUEQPSA-N 427.951 4.885 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 1313135200 DGXYBEQRMNDOLF-HNNXBMFYSA-N 442.343 4.697 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1351263321 JHYOVZASVAOEAD-OAQYLSRUSA-N 437.342 4.721 30 10 IJEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cn(Cc4cccc(F)c4)nn3)c2C#N)C1 1351764840 AFPYVLHMVGNILP-OAHLLOKOSA-N 437.544 4.802 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CCCN1C(=O)OC(C)(C)C 1355588438 BCADUKFTEAYNOB-AREMUKBSSA-N 430.504 4.924 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccccc2OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1355646800 BXCYXXAIYHIOTE-MHZLTWQESA-N 448.563 4.675 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c1 1358371119 OJVZSUXACZLLFQ-UHFFFAOYSA-N 441.556 4.942 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)c1 1358372130 WYQMLSGJXOVFOW-FQEVSTJZSA-N 444.556 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC[C@@H](C)C1 1358874733 BYJOBWXWOALDDV-IRLDBZIGSA-N 444.627 4.772 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCn2ccnc21 1358896994 QLQQWFNTOFVHFJ-RTWAWAEBSA-N 446.599 4.521 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCCOC1CCCC1 1359016601 HINGPUJOTLOGNZ-QHCPKHFHSA-N 440.563 4.648 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1359068946 VLWSQJLVWSFOHK-SHQCIBLASA-N 442.611 4.506 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1csc(Br)c1 1359120294 VGTDJMSPLNESJZ-UHFFFAOYSA-N 447.358 4.710 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](OC)C(C)C)CC1 1359169095 UGBWDSWDZPZRRL-LJQANCHMSA-N 439.387 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359190238 JHSOTNPFNQHOBZ-SFHVURJKSA-N 426.590 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359191343 WHYSHKNIUBZAHE-UHFFFAOYSA-N 441.664 4.985 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N(C)C 1359196260 ARSYTZSIFAVUBV-UHFFFAOYSA-N 429.634 4.546 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1359209410 MEZSDMMPUBWSKS-DOTOQJQBSA-N 436.398 4.643 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(F)c(F)c1 1359284829 PYNRRKUUKSSZAB-UHFFFAOYSA-N 425.302 4.870 30 10 IJEE C=CCn1cc2ccc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)cc2n1 1439617221 HNIULCBBDIEQAS-UHFFFAOYSA-N 440.341 4.672 30 10 IJEE CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1458331779 CKMKOIDGZNPOME-UHFFFAOYSA-N 435.421 4.588 30 10 IJEE COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 1463734409 DSDQFVOCRULGKH-UHFFFAOYSA-N 441.531 4.626 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1464713199 GLHXWGHGJPFCIJ-ZCYQVOJMSA-N 426.988 4.802 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)cc1 1465398514 AMMYTFHZKHEYCL-RTWAWAEBSA-N 425.573 4.749 30 10 IJEE C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccc(C#N)cc1 1468307413 HATHEANUQRXBMU-KRWDZBQOSA-N 434.540 4.806 30 10 IJEE C=CC1(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)CN(C(=O)OC(C)(C)C)C1 1468489003 ZNZWADMAMRFLEY-UHFFFAOYSA-N 448.007 4.580 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 1474773990 ICYLYRMKFKDRNQ-UHFFFAOYSA-N 426.307 4.743 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c(Br)c1)c1ccc(F)cc1 1477004166 DLFHEASSJMGTPM-HNNXBMFYSA-N 426.083 4.847 30 10 IJEE C#C[C@@H](NC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1478096039 GSOVLIIAPDWNCP-QGZVFWFLSA-N 425.932 4.536 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Br)cc1 1478896130 KHGAJWKFBHRCPB-CQSZACIVSA-N 446.654 4.690 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1479586050 RQZLSZXOUUMPPW-BVSLBCMMSA-N 443.588 4.884 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC2(CCC2)C1 1507570866 KZNXUSCDIZKIFL-UHFFFAOYSA-N 443.389 4.804 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCSC2(CCCCC2)C1 1507580447 FLODWJIYNZVAFB-UHFFFAOYSA-N 440.613 4.632 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1sccc1C 1507660500 VUTYUFXFCSZOGK-OAQYLSRUSA-N 432.593 4.916 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507680232 AJPVTDLXJARTEL-JYJNAYRXSA-N 431.353 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCc1cccc(C)n1 1507770852 YDXMACBKYSVLRU-HHHXNRCGSA-N 443.595 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCCOc2ccccc2C)nnc1C(C)(C)C 1507808783 HTHMRYOAFZWPQG-UNMCSNQZSA-N 426.605 4.771 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(C)(C)C)CC1 1507912409 OCFQUZRQSBKSHG-UHFFFAOYSA-N 439.604 4.587 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C)CC1COC(C)(C)OC1 1507945507 CEXWKTAAJLLNCY-UHFFFAOYSA-N 449.393 4.509 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1c(C)noc1C)C1CC1 1507993006 MRPUENDPBYKEOJ-AWEZNQCLSA-N 427.499 4.710 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@@H]1C 1508001464 SICQRNPTKBULHI-RDJZCZTQSA-N 426.362 4.884 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508050920 CZNMSKSEVXYCOX-RTWAWAEBSA-N 439.604 4.842 30 10 IJEE Cc1nc(CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)sc1C 1510421188 GQNVOXXOBPDDQS-LBPRGKRZSA-N 432.956 4.650 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)CCN(C)C(=O)OCc2ccccc2)c1 1520377344 OYKAHZJMLWSYNQ-UHFFFAOYSA-N 432.545 4.921 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1523233036 PZTHVHDZOQJNRM-UTKZUKDTSA-N 432.898 4.904 30 10 IJEE O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1524253471 FVTTVCMKODJIFD-CQSZACIVSA-N 443.750 4.603 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cnn(-c3cc(F)c(OC)cc3F)c2CCC)cc1 1525535170 TXONMZLQENCMLI-UHFFFAOYSA-N 441.478 4.606 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 1529644275 GDNOBVGSVFRNOL-MRXNPFEDSA-N 445.485 4.922 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2ccc3cccnc3c2Br)c(OC)c1 1529964546 NGGOWPLIOMMZKV-UHFFFAOYSA-N 428.282 4.719 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1530327438 ZUZJYKGAQYYRFN-LGMDPLHJSA-N 443.469 4.641 30 10 IJEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CCCCC1 1532897132 PEXKTTFITBPICE-UHFFFAOYSA-N 432.630 4.606 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1535505614 YVWPJIAAMNSLDQ-HNNXBMFYSA-N 425.641 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCO[C@H]1CCCC[C@@H]1C 1538993237 HFYOJCLYZLNPGR-ZWOKBUDYSA-N 445.405 4.761 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)c1ccc(F)c(F)c1 1538994799 BGCYWONZDSEXAQ-QFIPXVFZSA-N 439.462 4.683 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)c(C)c1 1539245694 JXEDDWGWKKSKRD-KRWDZBQOSA-N 432.568 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccccc1)N(CC)CC 1539556238 NKDOPDIZQVGEFX-JCYRPKCISA-N 435.616 4.595 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539917600 WTBLJLRISJXMFO-RBUKOAKNSA-N 447.624 4.568 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1540034032 UGOIQWNVQVTNHL-UHFFFAOYSA-N 447.583 4.634 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)OC 1540141858 FTPSGNLJKHMPPS-QGZVFWFLSA-N 435.553 4.889 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC[C@H]1C 1540155698 ZZBFUPAVZSGPAQ-QYZOEREBSA-N 430.980 4.923 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=C)Cl)C1 1540895376 QPVIVTCAFHSYNG-IBGZPJMESA-N 430.980 4.823 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)C1 1541486569 HDXLKPNMNPTMBB-IRLDBZIGSA-N 432.572 4.585 30 10 IJEE CC1(C)C[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@](C)(C#N)C1 1541987852 GXEIWTCYOSEBLW-DJJJIMSYSA-N 434.407 4.945 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 1545567531 FPGCVFFJKKFHNA-QGZVFWFLSA-N 432.908 4.552 30 10 IJEE C#CCC1(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)CCCCC1 1557523763 NQZKUDIZJKKPJP-DLBZAZTESA-N 430.511 4.512 30 10 IJEE C=CCn1c(SCCC2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc2c1=O 1559324953 OMDSCWNAWGIVJW-UHFFFAOYSA-N 429.586 4.712 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1562943753 HHMUZUUFQDPGHE-KBXCAEBGSA-N 425.382 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl 1564675106 KQEHTENIFAQQSY-VHSSKADRSA-N 427.770 4.930 30 10 IJEE C=CCOCCNC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 1565129220 QDWGTESKDQSVJM-UHFFFAOYSA-N 438.959 4.596 30 10 IJEE N#Cc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cnc1C(F)(F)F 1566052737 GXEOWSOVINBIOV-UHFFFAOYSA-N 427.348 4.843 30 10 IJEE C=CC[C@@H](CO)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 1567044866 SYFDJBSANORIJM-NGYXKBBWSA-N 428.532 4.645 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)cc1 1585561433 GQUJKTRXKNYGQF-UHFFFAOYSA-N 449.503 4.691 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)cc1 1585561606 IQFITXOFCCGFMS-UHFFFAOYSA-N 442.556 4.862 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3ccc(CN(C)C4CC4)cc3s2)c(OC)c1 1587072610 NTTIYNXMDWOSCV-UHFFFAOYSA-N 437.565 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1cccc(C)c1 1587575200 RKGHHHKAPNSGCH-CVEARBPZSA-N 426.362 4.606 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1sc(C)nc1C 1588110064 TZJNRLGCONFCMX-UHFFFAOYSA-N 444.391 4.641 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](SC)C(C)(C)C 1588200149 DXPUEIGEANHBKO-LJQANCHMSA-N 432.996 4.978 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(Br)c2ncc(C=O)n2c1)c1ccccc1 1589390117 BMYPPWJZRVPIGC-LJQANCHMSA-N 426.314 4.737 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CCC(F)(F)F)CC1CC1 1589528711 IIUPGZFUVKMVPS-FHWLQOOXSA-N 442.526 4.670 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(F)cc(F)c1 1589560438 ZLOHPXADGIYKEA-AUSIDOKSSA-N 430.543 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)CC(F)(F)F 1589599799 MPAUXJJWVHZKQY-UHFFFAOYSA-N 446.521 4.698 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccncc1Cl 1589609069 UBZZSGVNZPNPMX-UHFFFAOYSA-N 433.947 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCN(CC)C1 1589615676 SNMRBEVDSWUMNE-HNNXBMFYSA-N 438.439 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1-n1cccn1 1589625328 BFDARDUQNSBFNQ-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCSC[C@H]1C 1589731538 PFGVDFKYEWMZSO-GFCCVEGCSA-N 427.799 4.879 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCN2CC)CC1 1594013167 CPRDYWGORINFSY-TZIWHRDSSA-N 427.568 4.588 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCn2nc(C)nc2C1 1594455552 RLESSFHAASVNIU-IBGZPJMESA-N 449.603 4.557 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CCC)C1 1594793360 KUYPOWWUNUKENW-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1nc(C)cs1)C1CC1 1595026184 FVCQTPBTSSGGTP-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)CN1CCCCC1 1595200790 QFZORIAWKIPEMI-NRFANRHFSA-N 432.616 4.737 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1c(C)noc1C 1595239546 MNXWFKHLBJOYHR-WMZHIEFXSA-N 449.599 4.816 30 10 IJEE C#C[C@@H](NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1F 1597002019 GSFLXFPBLDRZTA-CTNGQTDRSA-N 439.836 4.938 30 10 IJEE CCC1(Cn2c(CSc3ccc(C)cc3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1613751802 BXNLXSRPLZGJDN-LJQANCHMSA-N 427.618 4.824 30 10 IJEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CCC(OC)CC1 1614170911 CWZWTDJOPNEJFI-NJEKYYFSSA-N 437.588 4.703 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 1623169410 UXHIMDBXNNDIAG-XMMPIXPASA-N 448.494 4.614 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)s1 1624014039 ULPAEJPABQJGPT-CQSZACIVSA-N 431.396 4.719 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cc(C)n(-c2ccccc2Br)c1C 1624726734 YKEDCTKIGBZNRC-UHFFFAOYSA-N 427.264 4.884 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)[C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)C2)cc1 1624808958 GBSHKLFMNSAMDC-QHCPKHFHSA-N 436.870 4.761 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(SC(F)(F)F)nc1)c1ccc(Br)cc1 1625546962 LYOVGDATSXCWHR-CYBMUJFWSA-N 430.249 4.952 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 1626351013 HJSQVULBYGEQFX-UHFFFAOYSA-N 449.555 4.674 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cc21 1627045130 SFHWDNNTGIEOAY-LJQANCHMSA-N 443.334 4.772 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1 1630744072 KKUGVDNPZMRWCV-NRFANRHFSA-N 441.959 4.581 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]2C(C)C)c1 1631601017 NDODMJUMLNSAGC-NRFANRHFSA-N 432.973 4.592 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c1 1631630810 BLMCLIAFIPNQER-AREMUKBSSA-N 426.516 4.551 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 1631792421 JSCWPIOCRWOAFH-VWLOTQADSA-N 426.516 4.716 30 10 IJEE Cc1cc(NC(=O)CNc2ccc(C#N)cc2)c(C(=O)N[C@H](C)c2ccccc2)cc1F 1638022336 AOBGKNUNMAEQEI-QGZVFWFLSA-N 430.483 4.547 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](c2cccs2)C(C)(C)CO)s1 1639152103 AOPRBMBLILZYFL-MRXNPFEDSA-N 431.048 4.776 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1641503410 RXWOTQNXCPLMJW-VXKWHMMOSA-N 440.584 4.588 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ncnc3scc(-c4cccs4)c23)[C@H](C#N)C1 1642550579 ANYPBOZPDICVCM-TZMCWYRMSA-N 427.555 4.591 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)n(-c2cccc(F)c2)c1C 1642684642 APGLBEFTKTZKFL-BBRMVZONSA-N 436.453 4.706 30 10 IJEE C=C(C)CN(CCc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3)Cc1cnn(C(C)C)c1 1645608803 HEQNJEHABPZKEZ-KRWDZBQOSA-N 438.645 4.797 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OCC 1653658800 FMLFYXWQXRIRRH-MSOLQXFVSA-N 448.972 4.507 30 10 IJEE C=CCOc1ccccc1CN(Cc1nnn(CC(F)(F)F)n1)c1ccc(C)c(C)c1 1657745999 USMOVMAMCJCQNI-UHFFFAOYSA-N 431.462 4.624 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](N(C)c3ccccc3)C2)n(C2CCCCC2)c1C 1659603106 GVCWCCZHZVFXNK-QHCPKHFHSA-N 433.600 4.631 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H](CC(=O)OC)c1ccc(C(C)(C)C)cc1 1659605045 ZTVIOEBYBLMUFA-HXUWFJFHSA-N 426.488 4.561 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 1662379009 PPJHFFIFWDLBTA-HXUWFJFHSA-N 439.499 4.810 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1666342586 IBSJCHTUSKQGHN-UHFFFAOYSA-N 428.464 4.765 30 10 IJEE COc1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(OC2CCCC2)c1 1669926517 CUIHALDPLVOUCN-RPWUZVMVSA-N 433.552 4.998 30 10 IJEE CN(Cc1noc(C2CC2)n1)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1673090314 CRDAOGADZVOHLC-UHFFFAOYSA-N 440.319 4.900 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C1CCOCC1 1674597144 NEGPTDXFTIGFCT-FQEVSTJZSA-N 434.870 4.638 30 10 IJEE CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1675716291 FHKIFOHGNDWXSZ-IBGZPJMESA-N 434.931 4.660 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(C(F)(F)F)cc1 1680633032 JGLFHOQHAUGZBU-PXDUREFJSA-N 426.479 4.739 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)c1ccc(Cl)cc1F 1681334678 YGIIVOOZSXBNEZ-GOTSBHOMSA-N 443.950 4.688 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cc1 1681828599 VBEVIJKTXHUTSH-SFHVURJKSA-N 425.960 4.588 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1 1683680776 HAJSKFSITIBWIS-QFIPXVFZSA-N 440.385 4.955 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1689922691 WRGJFGCXGHLZTQ-KRWDZBQOSA-N 443.979 4.505 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCSCC(F)(F)F 1690088104 BROYCFRBPABANQ-OAHLLOKOSA-N 428.499 4.866 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(CC)s1 1690188965 RJHODWUMYKRPMB-RUZDIDTESA-N 447.608 4.812 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C)[C@H](C)CC)CC1 1690399459 XLJVJHACIBGBLG-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(N(CC)CC)CC1)c1ccccc1 1690442671 YKAMSWKFHNLWRR-HSZRJFAPSA-N 446.643 4.954 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1690447369 NUKOUYGKOBQHFG-UHFFFAOYSA-N 448.615 4.843 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1690515838 VSIQYSJUBVFKIS-UXHICEINSA-N 427.593 4.746 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3F)n2CC2CCC(C(F)(F)F)CC2)C1 1698483655 HROKDOIYISYXLR-WSNMIEGMSA-N 439.432 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(N(C)C)CCC1 1705483885 DWWYKFCBZGEASO-KRWDZBQOSA-N 437.588 4.755 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(C)s1 1705511213 MCFPBMZJURFOQG-UHFFFAOYSA-N 446.418 4.856 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705544780 DGHNHMTXTPDRLA-UFYCRDLUSA-N 439.673 4.569 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(c2ccccc2CO)CC1 1705694052 NJRSCTIIGLBKTR-PTLVVNQVSA-N 438.616 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(F)c1 1705695707 JYKPIUFGBCYZMK-NQIIRXRSSA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)c1ccsc1 1705719203 OUZYHRZJPIFGNW-DEOSSOPVSA-N 435.597 4.722 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2oc(CCC)nc2C)CC1 1705772066 MDHYVKQBYUYGRM-WIYYLYMNSA-N 427.593 4.650 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1705777596 HJXCQBRZWWBXCE-UUOWRZLLSA-N 443.039 4.906 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C)CC1)c1ccccc1 1705797690 AGLCHGKPNUESIA-KAMZKSLDSA-N 438.616 4.988 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705810591 BMVOSTHQKALZSV-UHFFFAOYSA-N 444.461 4.547 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc2c(c1)CCCO2 1705837885 SLQPWQHWZUXWIK-UHFFFAOYSA-N 445.386 4.765 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705890259 GVSNLCJOAUEDHM-VAMGGRTRSA-N 429.609 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(OCC(F)(F)F)cc2)C1 1705917073 UBAGXPBFSAJLDP-QFBILLFUSA-N 438.494 4.562 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)C1 1706500062 HUBIGPKAACZVCS-QZTJIDSGSA-N 447.002 4.701 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(Br)cs1)C1CC1 1709942776 FBFOUWNDGCDKDL-UHFFFAOYSA-N 428.359 4.678 30 10 IJEE N#CCC1CCN(c2nnc(C3CCC3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1712885180 BOOAPWUCAMRZEN-UHFFFAOYSA-N 447.505 4.803 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722309482 BKKPZSWPBRCLEW-OKILXGFUSA-N 440.336 4.567 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(C2CCCCC2)CC1 1722321920 HYMHVBWAUFEJIO-UHFFFAOYSA-N 449.643 4.678 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722579799 TWYZLBJXVIGUBB-RDGATRHJSA-N 436.600 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1722588971 INAYMFIGCVUILZ-UHFFFAOYSA-N 449.521 4.658 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722617464 LRKOJUUWWNAZSS-UHFFFAOYSA-N 435.547 4.725 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCc3sccc3C2)nnc1C(C)(C)C)C(C)C 1722664523 BRMOSPZYXHLSFW-HXUWFJFHSA-N 427.662 4.898 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC2(C1)OCCO2 1722668755 ZIRQZZJNKFHBPM-FQEVSTJZSA-N 436.600 4.964 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCC2(F)F)C1 1722720991 QYPMRIQXXBBBRP-PZJWPPBQSA-N 446.542 4.506 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1722733816 NJXIMGQYYFCCNO-GOSISDBHSA-N 426.348 4.613 30 10 IJEE CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1726899296 HNZSELNMMXQXDX-QUCCMNQESA-N 444.624 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1740558890 IHNXJEXLDGIHOX-SXWKCWPCSA-N 426.630 4.788 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)Cc1cccs1 1740716147 SMROYBODVDFXEF-UHFFFAOYSA-N 448.621 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)CCCS1 1740727686 VLOGFUYTEUBQBJ-NHCUHLMSSA-N 445.430 4.985 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1cn(CCCCC)nc1C 1740733782 QSKROCWJOQGRPM-XMMPIXPASA-N 436.629 4.666 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 1740738274 FNQNNDXHQSJYMQ-CYBMUJFWSA-N 445.283 4.701 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(C)(C)C 1740753614 MCXXSNAGBIEETM-SIKLNZKXSA-N 434.588 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(C)(C)C)C1 1740758662 AHWYIRAZZFECOM-DPLHUUCSSA-N 438.616 4.731 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(CC)[C@@H](C)C1 1740780220 MBBYGRSVKFEGEC-KRWDZBQOSA-N 425.577 4.919 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 1740789003 BHNVWDCPGKPOEQ-IBGZPJMESA-N 436.959 4.582 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC(OC2CCCC2)CC1 1740792833 ARMCFUXGOAVYLM-UHFFFAOYSA-N 438.616 4.698 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CCSC2)C1 1740803269 HXERFYYERYKHCS-SFHVURJKSA-N 439.810 4.794 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CCCC2)CC1 1740828568 OZFPVKDOBMJEBL-UHFFFAOYSA-N 445.007 4.713 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1740855851 NILDIARRLNWPQI-NRFANRHFSA-N 426.609 4.743 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1740859176 HPPZZWXNPKQRIL-OAQYLSRUSA-N 440.485 4.970 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)c(O)c1 1740922042 RMWWUEZNODPUNK-UHFFFAOYSA-N 447.564 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=C)Cl 1740922505 JPSSUPWMIQYHQM-UHFFFAOYSA-N 430.961 4.969 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1748703366 OKTFVCCEZNNSFG-SLFFLAALSA-N 439.673 4.854 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1C[C@H](C)O[C@@H](C)C1 1748772436 OAZLKSXZAQWHGP-FHWLQOOXSA-N 445.007 4.961 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCOC(C)(C)C 1749126596 FANTXYMWPYUWOC-XMSQKQJNSA-N 437.588 4.659 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@](C)(OC)C1 1749200848 YYCAXAOLMWPTEI-QHCPKHFHSA-N 432.996 4.833 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)cc1F 1749252981 HXNXZFDUOJFXQY-UHFFFAOYSA-N 442.695 4.703 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCSC(C)(C)C1 1749260547 SOTXLHFFXJFGRF-UHFFFAOYSA-N 427.799 4.792 30 10 IJEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC=C(C)C)CC1 1749298828 UPHMQPOMNZKTMS-UHFFFAOYSA-N 432.572 4.578 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2csc3ccccc23)CC1 1749328659 AFMJWOMPXWCMMR-KRWDZBQOSA-N 426.586 4.668 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1749335992 WGJLKWZJOPSRII-FUHWJXTLSA-N 430.980 4.825 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](c2ccccc2)C1 1749627353 LIDMPVVGAWJGKW-OAQYLSRUSA-N 437.588 4.573 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CCN(CC)CC1 1760124164 GHYHMPJYDXBNCY-SFHVURJKSA-N 446.064 4.804 30 10 IJEE C#CCCCCn1c(N(C)C2CCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760143117 WRYJIKPKKQDWQD-KDURUIRLSA-N 429.609 4.621 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C1CCN(CCC)CC1 1760147462 SHXDMPFHQBCJGD-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1760156350 DGWPEZXDDNBWLB-RDGATRHJSA-N 433.644 4.914 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(O)(CC)CC 1760211166 ANMQWLPGFREDRN-UHFFFAOYSA-N 441.000 4.827 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CSCCS1 1760291522 RWCOTUPYZZERSO-MGPUTAFESA-N 437.009 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CC1CCC(F)(F)CC1 1760296408 PWZOEFQYVHYPFG-HSZRJFAPSA-N 428.527 4.695 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1 1760366869 KOUKVQQUGPZNKK-ZDUSSCGKSA-N 441.732 4.799 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(C)CC2)CC1 1760389246 GOIIHVHQVONFGM-UHFFFAOYSA-N 429.609 4.739 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1760393371 OTKBVPLOSXKNFH-REWPJTCUSA-N 440.588 4.617 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(CC)CC)CC1 1760430604 OGYXODZWNSQQDA-FGZHOGPDSA-N 431.669 4.864 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCC1(F)F 1760478381 FYRYJEYXXAKJPU-VQTJNVASSA-N 446.542 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CC(=O)Nc1c(C)cccc1C 1760487438 SPTVSNKKGOYTMK-UHFFFAOYSA-N 437.613 4.986 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]2CCC[C@H]21 1760560312 RZONURHDUYJEBB-RHSMWYFYSA-N 436.423 4.724 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760567106 PPHCEBWUQHEIAX-QHCPKHFHSA-N 432.609 4.569 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(COCC(F)(F)F)cc1 1761361081 AEQCFKTUXKDZCX-KRWDZBQOSA-N 449.521 4.876 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2c(C)noc2C)CC1 1772555078 KLSXUIXHGITANE-UHFFFAOYSA-N 429.471 4.602 30 10 IJEE COc1cc(/C=C2\SC(=NN=Cc3cccs3)N(Cc3ccco3)C2=O)ccc1O 1772758384 UDCGJFJKTMWWLO-NFSYISOKSA-N 439.518 4.562 30 10 IJEE CCCCCCCCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1C(=O)O 1857890717 AELBJSYDUNUVGR-UHFFFAOYSA-N 431.529 4.764 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(C)cc2)cc1 1862389446 GGIAVLAFUCIBPX-DEOSSOPVSA-N 443.547 4.882 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862433809 LRPIQXCNYXNBAL-QFIPXVFZSA-N 447.922 4.580 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862435535 YAKAKCSXTTWIDJ-XOBRGWDASA-N 427.928 4.597 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOC)cc1 1862439069 ICEJBWWJKKDEQO-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862462134 VHUIUXMZJYZKSR-FQEVSTJZSA-N 433.426 4.879 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccccc2Cl)c1 1862491264 OTGYORBLWXFJHM-NRFANRHFSA-N 427.928 4.698 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862498060 ZCEMGRYQNMJPOD-IBGZPJMESA-N 429.900 4.659 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(O)cc1 1862523731 NYCVBYYSSZZBGA-XIKOKIGWSA-N 430.298 4.532 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1Br 1862708545 XYSCWXBVPFCJBH-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c1 1863446845 JBZZHONCWAJIKJ-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CC(=O)c1ccc(F)c(C(=O)Nc2c(Br)cc(C#N)cc2Br)c1 1866143340 ADDLZUKTUNXIDK-UHFFFAOYSA-N 440.066 4.677 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C 1868855706 YFPAOJVVCXKKEM-WOJBJXKFSA-N 435.406 4.674 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCCC3)cc2)cc1 1870141003 UYBBXADQFQAJPE-OVCLIPMQSA-N 440.551 4.905 30 10 IJEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1CCC2(CC1)OCCO2 1870435912 AOZLEQYMEKFIMC-UHFFFAOYSA-N 434.621 4.583 30 10 IJEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1870944235 ADUKZCOHBHZMCK-UHFFFAOYSA-N 439.600 4.797 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871029395 XAGHSJYTPQPBSA-UHFFFAOYSA-N 432.948 4.576 30 10 IJEE Cc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc3c(c2)OCO3)C4=O)c1 1871348190 WUGMJQSZLYQPCP-MYKKPKGFSA-N 427.456 4.692 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)c(OCC)c1 1871386549 AWOOFEVIEGREJF-FMCGGJTJSA-N 431.444 4.714 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)c(OC)c1 1871396561 MKYLYRRJTDAGIF-PBVJIJQYSA-N 437.536 4.812 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871407774 QRBHVEAQRJJTSG-SGMWPGOQSA-N 445.471 4.726 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871457318 ZVQDYJUAJDKQEZ-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1OC 1871459953 MVUBHVVFLNISKP-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872046312 RAPVNAYRNUKDPS-WMZHIEFXSA-N 444.597 4.624 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872304114 MKYINOQEOKBRJW-IBGZPJMESA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)CCCC 1872454354 GIMPWZMZYMMTOZ-IBGZPJMESA-N 447.066 4.717 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872461728 ZBGWVVPZQLPFKA-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C 1872764927 BJGXLUGZBLTTCQ-INIZCTEOSA-N 438.505 4.643 30 10 IJEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3OC)n2)cc1Cl 1872782446 JXMDXUOQYJLFBK-HNNXBMFYSA-N 442.924 4.908 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1873406218 COGVKLWNLMVYFW-UHFFFAOYSA-N 427.891 4.646 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc[nH]2)cc1OC 1874237024 MGIYQTZIVYMISV-CVKSISIWSA-N 447.564 4.697 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874342439 PVIQCBDCFYGDJI-ZMOGYAJESA-N 440.956 4.844 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCO)cc1 1874344079 WGFVSGGEPXHWLI-LFVJCYFKSA-N 444.988 4.668 30 10 IJEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccncc2)cc1 1874344908 LCIOEYHJDNBVBV-WGOQTCKBSA-N 433.512 4.608 30 10 IJEE CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Br)cc1 1874349957 NIPAWSBAYVTMLW-FYJGNVAPSA-N 431.359 4.634 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2cccc(C)c2)cc1 1874459279 FRCZUPOLGYMSLH-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE Cc1ccccc1COc1ccc(/C=N/n2c(SCCCO)nnc2-c2ccco2)cc1 1874467353 FBWCEFAYFNITFR-PCLIKHOPSA-N 448.548 4.782 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874517448 UODKMJYWSBNMII-ANDSAHIGSA-N 441.988 4.907 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2/N=C/c2c(F)cccc2Cl)c1 1874529771 ZXUUGYMTGVKGIO-AUEPDCJTSA-N 431.924 4.609 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCCO)c2Br)c(C)c1C 1874598298 FJNWKGVPSMDZQJ-RMKNXTFCSA-N 449.341 4.740 30 10 IJEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](C)O[C@H](C)C1 1874640098 BBHOBBJLGWRTAX-ROKPMTFOSA-N 441.616 4.582 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1 1874751933 FZVQHDCYBLORAX-UHFFFAOYSA-N 436.552 4.740 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C3CC3)c(OC)c2)cc1C 1875109691 ZWXYLOZIRKMHAY-XBXARRHUSA-N 445.309 4.986 30 10 IJEE C=CCOC(=O)N[C@H](C(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875645313 BZTYUBHNNOYDEW-DEOSSOPVSA-N 447.487 4.883 30 10 IJEE CCCCCCCCC[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882520881 CJLGMQFVXZVVMG-SONOPUAISA-N 425.591 4.644 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccc4ccc(OC)cc34)cc21 1891224437 YOYWRTTXXUSFTK-UHFFFAOYSA-N 444.531 4.967 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912188174 NSUUHYHMDFGEES-JKSBSHDWSA-N 448.568 4.853 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 1922073444 DKFMOVGJDUCBKL-PKTZIBPZSA-N 426.557 4.818 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCC[C@H](CNC(=O)OC(C)(C)C)C1 1922074067 KAWQWDSLYOOBRF-FXSPECFOSA-N 446.632 4.574 30 10 IJEE N#Cc1ccc2nc(S)n(Cc3scc(Br)c3Br)c2c1 1925018998 BZTUDFKCVUGUQY-UHFFFAOYSA-N 429.162 4.831 30 10 IJEE CO[C@H](C#N)Cc1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1951529408 TZGNCMFBABNCGH-NSHDSACASA-N 434.128 4.640 30 10 IJEE CC[C@@H](C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 1961710900 XXTCAIVJCXBVRG-MRXNPFEDSA-N 445.210 4.948 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCN(C)C(=O)OC(C)(C)C 2002704578 VBPMPHODGLOZPC-QHCPKHFHSA-N 433.549 4.976 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2037660409 VHEASHXXCAPOHA-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE CC1(C)OB(c2cnc(Sc3ccccc3Cl)c(Br)c2)OC1(C)C 2052599684 KTPWCZAVBDDXHE-UHFFFAOYSA-N 426.572 4.948 30 10 IJEE Cc1cc(C)c([C@H](C)n2nc(C(C)C)c(C=NO)c2I)c(C)c1 2079998433 QVGJYFJHADKZGY-AWEZNQCLSA-N 425.314 4.954 30 10 IJEE CC(C)Oc1ccc([C@H](C)n2nc(C3CC3)c(C=NO)c2I)cc1 2080119254 ICTLQEINAVGDKO-LBPRGKRZSA-N 439.297 4.570 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2116076405 DQVMPUPJHHWHBM-VXKWHMMOSA-N 436.405 4.509 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c1 2124525063 ZVYMRWNCQRACDT-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE N#C[C@H](C(=O)c1cc(I)ccc1F)c1ccccc1Br 2146604606 SCYBXKINAIKDFK-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@](C)(CC)N(C)Cc1ccccc1 2155171311 UMFFKWFZLOOURC-QHCPKHFHSA-N 429.402 4.851 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCCC 2159128494 SCRKCVICBNRNAL-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(Br)cc2C#N)CC12CCCCC2 2162308046 CFMPTBLZCJLRNB-INIZCTEOSA-N 435.366 4.840 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1ncc(Br)cc1C#N 2162332783 ATFPFFWMFXYAAA-BBRMVZONSA-N 435.366 4.601 30 10 IJEE CCN(c1cc(Br)cnc1C#N)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174709774 JQLXYOWFBNLYDK-PBHICJAKSA-N 437.382 4.626 30 10 IJEE C#CC[C@@H](C[C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196840606 LBPJCIUVTAOOPG-DFQSSKMNSA-N 435.406 4.652 30 10 IJEE CCN[C@H](C#Cc1ccc(C)cc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2223361345 SNDLNWOCRSHGHR-NQHRYMMQSA-N 436.596 4.823 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2235718874 FCCFVNLESOBAKK-PGRDOPGGSA-N 435.406 4.862 30 10 IJEE C=C(c1ccccc1)[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425026 MSEFJPKKVPKOOD-WOJBJXKFSA-N 431.374 4.926 30 10 IJEE Cc1sc(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c(Br)c1C 2237679742 GMEPSNSWLYIHBP-YJYMSZOUSA-N 440.212 4.826 30 10 IJEE CC1(C)OB(C2(C(=O)NCCCN(Cc3ccccc3)Cc3ccccc3)CC2)OC1(C)C 2241474935 NQZQOCSKOASAQT-UHFFFAOYSA-N 448.416 4.822 30 10 IJEE C#CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243926377 IVNGHQJOSCULNR-IZZNHLLZSA-N 444.575 4.858 30 10 IJEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)c1ccccc1 2255826959 FOYFFJZKNIPZSG-UHFFFAOYSA-N 434.370 4.598 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2261821638 WLFYILKYKBVEEK-CPJSRVTESA-N 447.572 4.560 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1F 2268639177 YSFVUQZRFCDJDQ-INIZCTEOSA-N 446.328 4.623 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CC[C@H](NC(=O)OC(C)(C)C)C1 2296215783 DMXDYTHAYDFSJL-JQVVWYNYSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@H](N)C#Cc1cccc(Br)c1)C2 2296223873 DVXDGTBDCRLZKL-LJQANCHMSA-N 433.390 4.555 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 2296275423 ZDMLWRXABJUQQM-DLBZAZTESA-N 445.348 4.717 30 10 IJEE NC(=S)NN=Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc2c(c1)CCC2 2296403341 JLEZVDIWJFXKMO-UHFFFAOYSA-N 430.364 4.502 30 10 IJEE C[C@@H]1[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317346779 MWQUMYAGTROANL-VJXXYTJISA-N 430.354 4.503 30 10 IJEE Fc1ccc(COc2ccc(C=Nn3c(S)nnc3CCc3ccccc3)cc2)cc1 2321958749 AYRKPEQBWDOVPA-UHFFFAOYSA-N 432.524 4.952 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1OC 2322209580 CISVFJHKEDIETK-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE O=C(C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc2c(c1)OCO2 2323201490 BZMUMZFRRKDRHY-UHFFFAOYSA-N 426.428 4.539 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br 2323720967 ZCHLKAJLMWBGQN-UHFFFAOYSA-N 439.252 4.955 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2324082544 IMFRZWHLZYMESN-UHFFFAOYSA-N 430.504 4.683 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2324904514 ZGFUTPCPXZPERN-UHFFFAOYSA-N 439.851 4.884 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2324969548 CXSKTHXHZOJFJZ-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE COc1ccc(C=CC(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)c(OC)c1 2325220411 PHFDUTXENGKPJZ-UHFFFAOYSA-N 426.472 4.767 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325234754 HPRXOZOATYBLJV-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE CCCOc1ccccc1C=Nn1c(COc2ccc(OCC)cc2)nnc1SC 2326631285 QZGRZWMRVQTWRQ-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCCO 2327795975 QEMCUTUSYHOUNS-UHFFFAOYSA-N 446.576 4.776 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc[nH]2)cc1 2328572616 RURGPFPPSMCEEC-UHFFFAOYSA-N 431.565 4.883 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cc(Br)ccc1O 2328813929 UJRYSMBQIQCZPW-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccc(O)c(O)c2)cc1 2329995343 GTJUIITUIJEOOE-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2330794134 HFAOFYVRLHAANM-UHFFFAOYSA-N 439.464 4.994 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(Br)c(OC(=O)C(C)C)c(OC)c2)c1 2330794403 LGIHIYACNQCXFB-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2[C@@H]2CCCO2)cc1 2330919204 BUXVOJUMXXUWNK-NRFANRHFSA-N 449.580 4.668 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)COCc1ccccc1 2331049544 NWRXQFBYFOKHHX-UHFFFAOYSA-N 447.443 4.622 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccccc1O 2331318613 HCWHSVKMRAEZOG-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2331563574 ZPFFOTQTJTVUMS-UHFFFAOYSA-N 445.296 4.636 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cccc(F)c1 2331630009 SCMNEPLHXRECIV-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(SCC(=O)OCC(C)C)nnc1C(C)C 2331707689 OWMFYQWMDXFBRA-UHFFFAOYSA-N 440.569 4.737 30 10 IJEE CC#CCN(C[C@H](Cc1cccc(Br)c1Cl)NCC)C(=O)OC(C)(C)C 2337911801 WOAQFZLYYBDYPW-INIZCTEOSA-N 443.813 4.884 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339542689 FZSFHJJACQPINF-QTAANCCMSA-N 433.405 4.906 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@](C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339598358 BOLCNJPJFJYTDM-REBKIKCZSA-N 444.381 4.941 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2358671784 NLHSCDYPEXOTAO-WDSOQIARSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@@H](N)C#Cc3ccc(Br)cc3)C[C@@H]21 2360197651 RHEFSWSDKQCVMN-HNJRGHQBSA-N 433.390 4.554 30 10 IJEE C=CCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(F)cc1 10534340 VKPAVRYDJNEPPX-UHFFFAOYSA-N 426.546 4.766 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 12238854 FUKBYHXSKXYSPD-UHFFFAOYSA-N 438.274 4.860 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)o1 21081048 VOXKJCIRMSLJTK-AWQFTUOYSA-N 439.328 4.580 30 10 IJEE C=CCNC(=O)N1CCN(C2=Nc3cc(C(F)(F)F)ccc3Oc3ccc(C)cc32)CC1 34814446 SBWCYEIKWUNZCP-UHFFFAOYSA-N 444.457 4.711 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2ccco2)c1 35567672 JVOXSOGHLTZRFV-LJQANCHMSA-N 438.505 4.530 30 10 IJEE CCOc1cc(/C=C2/SC(Nc3ccc(Cl)cc3)=C(C(=O)OC)C2=O)ccc1O 36257462 ZHPZGUGQXDFMFR-GZTJUZNOSA-N 431.897 4.598 30 10 IJEE Cc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc(Br)cc2)cc1C 45939586 RZXHRCDOWCHVNH-UHFFFAOYSA-N 437.341 4.859 30 10 IJEE O=C(/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1 101687025 NBFICYHFIYDBMG-CENQWQLUSA-N 427.529 4.841 30 10 IJEE C=CCSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@H]2c2ccccc2)s1 102606932 DHLGFQCUSFMVDE-VZHUHSAUSA-N 441.559 4.504 30 10 IJEE Cc1ccc(NC2=C/C(=N\S(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)c(C)c1 103746244 XUOYNSRRHVNEPG-HPNDGRJYSA-N 434.492 4.813 30 10 IJEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3ccccc3Cl)o2)cc1 109943370 MUMNEWPBSJYARG-GOSISDBHSA-N 437.908 4.625 30 10 IJEE CCN(Cc1ccccc1)c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 169902956 NBWOQBXIJLGFAZ-LFVJCYFKSA-N 427.957 4.679 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1 169988455 QKOPQZVKZRFWPR-IBGZPJMESA-N 445.418 4.957 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccn2)cc1Cl 169996606 BMQSEHNFFLXWOD-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)s1 170055401 RMWXBUQZDRZWRW-HXUWFJFHSA-N 436.508 4.720 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 170055674 DYXNOTVGNBSRNV-XMMPIXPASA-N 443.499 4.872 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(C)o2)c1 170099570 UJSPJFVIAKIFEZ-OAQYLSRUSA-N 448.431 4.678 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(N(C)C)cc1 170129858 UMGYATWSNWWSML-HSZRJFAPSA-N 448.563 4.899 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143451 WXLGJUPZYLZHAJ-ISKFKSNPSA-N 449.547 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170193665 PYTNKVOEQKZLTG-NRFANRHFSA-N 445.862 4.655 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1cccc2ccccc12 170220654 ZOTWTQQRMVIAHC-XMMPIXPASA-N 445.515 4.690 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1C 170277683 XXXGJTIODVNBLY-VWLOTQADSA-N 446.591 4.794 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)c1 170292244 HYBFQDQLTITAQN-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE COc1ccc(C)cc1C1(CNCc2cn(CCC#N)nc2-c2ccccc2)CCOCC1 237188629 XOPPJMZPEYYBSB-UHFFFAOYSA-N 444.579 4.619 30 10 IJEE CN(C)c1ccc(C=NNc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCC4)cc1 252630943 VGDMXWILFNXANY-UHFFFAOYSA-N 443.576 4.507 30 10 IJEE Cc1ccc(N=C2SCC(C)(C)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 254823660 JJNBMMHHFCOIRP-UHFFFAOYSA-N 428.470 4.775 30 10 IJEE O=C(NC1CC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 429066331 VYJDEYNWYQSRNQ-ZDUSSCGKSA-N 432.311 4.605 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460376894 QREMVQNBFKJHRL-MHZLTWQESA-N 439.563 4.600 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)CCc2ccc(C)o2)nnc1-c1ccc(Cl)cc1 460525641 IXWGQCQWVJOUML-OAHLLOKOSA-N 444.988 4.916 30 10 IJEE CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](C)Cc1ccc(OC)cc1 470560006 STIFDGDVTDESCT-LJQANCHMSA-N 448.567 4.763 30 10 IJEE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)N1CCC(C)(C#N)CC1 506027304 KVAAVGHPFDJLFV-INIZCTEOSA-N 425.554 4.544 30 10 IJEE N#C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)C1CCCCC1 506513480 YMZILXGNGPACAR-SFHVURJKSA-N 427.574 4.724 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508811708 ULRZCRZCJBAOOJ-IBGZPJMESA-N 449.356 4.695 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 508863974 MFFGQLQHKOMQHX-UHFFFAOYSA-N 426.467 4.718 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508936954 AUCYKOBAUVBEQL-MRXNPFEDSA-N 444.486 4.623 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OC)c2OC)cc1 526603658 GOTJOLMTIFTQKA-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC1CCCC1 538149979 GPIFAXCARNBJJT-HZPDHXFCSA-N 425.529 4.776 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 539355195 LPWWNBOORCCZQR-FQEVSTJZSA-N 436.493 4.656 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(CO)(Cc2ccccc2)CC1 558994424 XTYLAURFTFVHNK-UHFFFAOYSA-N 430.596 4.575 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 577829508 UTXCCPHFWDSFEX-CABCVRRESA-N 437.407 4.598 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C2CCOCC2)CC1 579377945 BUMGRLCNSFWECB-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 581991359 UCOKAYMYTUSTDC-INIZCTEOSA-N 436.387 4.569 30 10 IJEE Cc1cc(Cl)ccc1N(CCCC#N)S(=O)(=O)c1ccc(Br)cc1 586208263 XOTNMOMLBNTKQZ-UHFFFAOYSA-N 427.751 4.910 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 608995429 PKVMDPVYGZZVET-OAQYLSRUSA-N 438.915 4.590 30 10 IJEE O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCOc2cccc(F)c2C1 670108165 CJESTJNJGMPCOM-QWRGUYRKSA-N 428.348 4.639 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ncc(Br)cc1Br 698946351 QRTXZBNIJJFILG-GFCCVEGCSA-N 431.128 4.594 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]2C1 698986892 LWLOQMVPGIGZJN-PNLZDCPESA-N 448.568 4.853 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720814731 QGLORWGHDRDLGU-XMMPIXPASA-N 427.545 4.861 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CCc2cccs2)C(=S)N[C@H]1c1cscn1 731428870 BWZCKUXOERZXDG-IBGZPJMESA-N 443.594 4.818 30 10 IJEE C#CCN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCOc2ccc(Br)cc21 735311878 XWQZBHJJEKCFPL-LJQANCHMSA-N 445.744 4.964 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 798055947 DWGDDABKQSYLLI-OYDLWJJNSA-N 443.934 4.996 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1cccc(C)c1 812174944 GJCVIXIFFSFZTJ-HSZRJFAPSA-N 445.567 4.931 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1ccccc1 1127300511 FJYLPQFMQQSRSP-WMZHIEFXSA-N 426.582 4.687 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H](C)c2ccc(OC)c(C)c2)nnc1-c1ccco1 1134057571 DPAQCXTZFDWXFU-MRXNPFEDSA-N 427.526 4.828 30 10 IJEE C=CCCCN(CC)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1134593160 XKTLPBWKYRGETG-QGZVFWFLSA-N 425.367 4.830 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 1135862433 OAAHFXJQVLRYDK-QUCCMNQESA-N 436.980 4.959 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNc1ccc(C#N)cn1)c1ccc(C)c(C)c1 1136698867 ZSJLHRQDWVYHKJ-UHFFFAOYSA-N 426.520 4.780 30 10 IJEE C=CCC[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1C)c1ccc(C(F)(F)F)cc1 1137721993 SSGCNVIKTAOBQR-WOJBJXKFSA-N 433.474 4.937 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1OC 1141632155 AUMDAHWMZZMXDQ-OSJHKOOESA-N 434.580 4.822 30 10 IJEE CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1142234689 CIEMZEPBWNXRFG-DEOSSOPVSA-N 442.519 4.813 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccc(Sc2cccc(Br)c2)n1)C(=O)OC 1155474030 BDMOYXBOUDQUKS-KRWDZBQOSA-N 449.370 4.623 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Br)ccc1OCC)c1ccc(F)c(F)c1 1189411620 IRGJYARKLBOERJ-SFHVURJKSA-N 446.313 4.722 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c1 1205019705 DWGBSVXKXQABFY-UHFFFAOYSA-N 445.317 4.989 30 10 IJEE C=CCCCN(CC)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1214219227 YKOWNPXUEMSDAS-MDPIYQRISA-N 433.618 4.610 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)c1cnn(CC2CCC2)c1 1219087023 WUBVNIWCAUXTNH-CQSZACIVSA-N 433.350 4.893 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccccc1 1224386931 GMBLIVYKHMBIEY-PKTZIBPZSA-N 435.568 4.879 30 10 IJEE C#CC[C@H](NC(=O)N[C@H](C)CCc1ccc(I)cc1)c1ccccc1 1224390966 YTDWVPATYUUSCM-UZLBHIALSA-N 446.332 4.676 30 10 IJEE C[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1226074568 CQYHPFOINNMSBI-SJORKVTESA-N 430.474 4.564 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 1228795907 KESBRRDXYOQDTE-HXUWFJFHSA-N 434.483 4.717 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)CC1 1230816566 BKETZQHQFWGFID-FGZHOGPDSA-N 445.579 4.964 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(Cl)cc1 1252450157 YOTCKIWOMDQYPA-JIMJEQGWSA-N 443.978 4.982 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1)c1ccc(Br)cc1 1252457869 GJBIGMRTLQIDDW-WOJBJXKFSA-N 443.341 4.506 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1F 1252479584 PJOLQKLJSGKGAF-KAWXRDEMSA-N 429.706 4.882 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2cccc(OC)c2)CC1 1286324250 QBBSTFKKIYDHSZ-UHFFFAOYSA-N 429.568 4.845 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@H]1CC 1286405933 NJXPTQOTKDVHKC-UYAOXDASSA-N 439.401 4.915 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1nc(C2CC2)cs1 1286438850 HJJOCLPUFSYQJA-UHFFFAOYSA-N 448.415 4.611 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1286441509 YFXMBNOBLDACSK-UHFFFAOYSA-N 449.002 4.738 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCS[C@H](C(C)C)C1 1286497135 NLJQGOAQVWJZAM-RTWAWAEBSA-N 428.671 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N(CC)CC 1286519404 WUCNHSPNJYNUKG-YDIMBITNSA-N 444.023 4.794 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC=C(C)C1 1286562468 ABPNLOFCKOBKGD-PGRDOPGGSA-N 428.964 4.648 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)[C@@H](OC)C1)c1ccccc1 1286679096 KCAGWBFAVAOEOZ-KWOQKUFVSA-N 431.584 4.870 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1286687091 MQBNQLLIFOLCEK-REWPJTCUSA-N 439.604 4.600 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286696710 OHGWEKPJRQUBGL-IBGZPJMESA-N 425.577 4.571 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1C1CCCCC1 1286730140 BPFNIENLHCAQJQ-HSZRJFAPSA-N 437.632 4.839 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(C)OCCc2sccc21 1286758822 WBSQKBZZAGOZFW-XMMPIXPASA-N 438.572 4.736 30 10 IJEE C=CC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1289423950 BYIJYKIQEHXSQJ-MCIONIFRSA-N 427.335 4.976 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC[C@@H]1CCCCO1 1291664519 DHWJSWBSRIBSKE-AJSBUHFISA-N 437.588 4.590 30 10 IJEE C=CCOc1ccc(C(=O)Nc2n[nH]c(C)c2-c2cccc(Br)c2)cc1OC 1294486509 PISIDNUZMQMNCJ-UHFFFAOYSA-N 442.313 4.973 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1Br 1299868740 OWDFDZDQPOXZCR-MRXNPFEDSA-N 445.785 4.968 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSCC(F)(F)F 1300283764 OUFPBOUYSOXIJK-KBPBESRZSA-N 442.576 4.885 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1300286270 HBIWOJRYCVUIJT-ROUUACIJSA-N 436.991 4.581 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1ncc(C)s1 1300324448 FPBHQOZAOXHWCG-SJORKVTESA-N 425.627 4.905 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1sccc1C 1300446132 GDZOOHNHJLOTQS-UHFFFAOYSA-N 433.350 4.529 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[C@H]1CCCCO1 1300816595 PTKGYMICEYRWLG-HYBUGGRVSA-N 442.991 4.852 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC(C)(C)C1 1300894873 IYSJCKRNXFKSJL-UAFMIMERSA-N 448.677 4.510 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCS[C@H](CC)C1 1300934827 DMXDTCIPTIFUHX-OAHLLOKOSA-N 437.407 4.624 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1300936752 JZGVGXHKYAUFTD-QGZVFWFLSA-N 449.624 4.704 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](COCC)C1 1301024950 RUKLHIZNLCLWMB-HNNXBMFYSA-N 439.785 4.631 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)CN(C)C)CC1 1301072780 RDGNTAGNXCSYNA-GOSISDBHSA-N 427.662 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1301139002 JOHBEPCPDDRXEV-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2cncn2)C1 1301173956 MGFDGDMJPONUMW-FGZHOGPDSA-N 449.603 4.824 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301229557 UBETVAPNSAVYNO-JOCHJYFZSA-N 436.522 4.559 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCC(C)CC1 1301273126 OCTDJWZDZWZQNR-JOCHJYFZSA-N 425.621 4.779 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCCCN1CCCC1 1301279043 UOIGDFZRLQFWMQ-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CCN(c1nnc(COc2ccccc2CC)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1301331456 KZWAVPZMUPWGJX-HSZRJFAPSA-N 437.632 4.695 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1301416101 BCBUAPHVMPHRQS-PZJWPPBQSA-N 432.996 4.689 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCOCC1 1303909892 DKGMVHZPSDANDA-SBUREZEXSA-N 443.979 4.628 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1)OC 1305358058 FRFMLAXTMQKMQR-FDDCHVKYSA-N 439.604 4.665 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H]3Cc3ccc(F)cc3)c2C#N)C1 1307425462 GRBOOSMZCLHICM-APWZRJJASA-N 425.573 4.919 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1F 1310362156 ADANXRLXGNIPEN-GOSISDBHSA-N 425.460 4.687 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CCOC)C1 1314596112 AVMGOULEAONYHR-OAQYLSRUSA-N 441.645 4.991 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 1355346964 OHMUCJYQRBZJED-UHFFFAOYSA-N 436.529 4.925 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)c1ccccc1 1357381510 NUTCXRDDPPBOEN-BKSPAHHJSA-N 434.580 4.692 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1357481038 JINACDKDZXITMJ-LHSJRXKWSA-N 425.356 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCc1csc(C(C)(C)C)n1 1358895210 FQBNMTPPDDTARR-IBGZPJMESA-N 435.641 4.908 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1nccs1 1359020419 BRTJLLFTGVNVRV-GOSISDBHSA-N 437.613 4.589 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOC(C)(C)C 1359051377 VFEQAPDOZJHAGY-UHFFFAOYSA-N 446.686 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CC[C@](C)(CC)O1 1359063912 HCJJFALTRLGUFB-MKTUGGFXSA-N 440.563 4.897 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC 1359104249 ZLQOCQAVRZUDQP-RBODFLQRSA-N 438.616 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N(C)C)CCCCC1 1359109094 PDRXURRGGJQQGV-UHFFFAOYSA-N 426.565 4.520 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 1359193355 CNHNQTVYZOEOEI-MDNUFGMLSA-N 435.616 4.743 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1csc(C)c1)C1CC1 1359247865 RNMJZZJZZXIJOZ-UHFFFAOYSA-N 440.569 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@H](F)C1 1359261219 AIWJUIHULARNKV-FPOVZHCZSA-N 440.542 4.610 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccccc2C1)C(C)C 1359265346 DFUKYTVGEQHEBE-DQEYMECFSA-N 449.643 4.781 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CCc1nc2c(s1)CCCC2 1359476539 GTNZBQOIXBEQBG-LJQANCHMSA-N 448.640 4.627 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)c1 1435027253 HPEJERICLWEJBF-ISKFKSNPSA-N 433.548 4.728 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[C@H](C)CC(C)(C)C 1435904019 CNTYHTWPQOMVET-AWEZNQCLSA-N 425.367 4.677 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1457350372 NPMRVJOXFIOQTJ-AFMDSPMNSA-N 433.552 4.719 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)Cc2nc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1457716201 ZXUJXAJURILNLD-MWTRTKDXSA-N 429.586 4.689 30 10 IJEE C/C(=C\C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1C(F)(F)F 1458090315 DIRSIPPLJWSNOV-NTCAYCPXSA-N 429.442 4.882 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nc2ccccc2c1=O 1458800545 RJQLDVUMSYGAEG-GOSISDBHSA-N 446.359 4.787 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H]1CCO[C@@H](c2cccnc2)C1 1458825398 HMQFEHSKWWSZRU-YLJYHZDGSA-N 426.517 4.590 30 10 IJEE N#Cc1ccsc1N1CC[C@H](Sc2nc3c(Br)cccc3s2)C1=O 1459061650 HKLFKCSZZVXPTK-LBPRGKRZSA-N 436.381 4.890 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(Br)cc3nc(C)oc23)cc(OC)c1OC 1459259187 DBMFGUZYCQBGND-UHFFFAOYSA-N 431.286 4.897 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2nc(C(F)(F)F)cn2c1 1461063459 CLIMFMPISLMWER-GFCCVEGCSA-N 440.347 4.926 30 10 IJEE CCS(=O)(=O)N(C)c1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 1461640573 HVHBBAWMILXRBV-UHFFFAOYSA-N 435.549 4.535 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1467698058 WDQDFGOBBVFJPM-HSZRJFAPSA-N 444.510 4.981 30 10 IJEE COC(=O)c1ccc2c(c1)CCN(C(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)C2 1478416112 FFHUDCALVPSJPA-SFHVURJKSA-N 439.515 4.841 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1cc(Cl)cc2c1OCC2)c1ccc(Br)cc1 1478897300 XQNZASQOBDFNCI-KPZWWZAWSA-N 433.733 4.772 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CC1CCC(F)(F)CC1 1498052657 DJBWLJPDMJKSFJ-KRWDZBQOSA-N 431.531 4.841 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(SC)c1 1502110800 GHYLFDNIANTNCG-UHFFFAOYSA-N 448.596 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCC1 1507518378 UXWBXGOWQAWPSX-UXHICEINSA-N 444.023 4.632 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC1CC(F)(F)C1 1507702515 JIUXJYRNBDJWHW-UHFFFAOYSA-N 430.499 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCc1cccs1 1507807384 VORNXCWWDOULNZ-CVDCTZTESA-N 440.588 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1507811399 QQPOUPOEXGZRTL-YKSBVNFPSA-N 442.579 4.850 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CCC)CC1 1507908834 HRCUYPRHEZKESL-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1507909367 CTCXCFQFUZKDGX-DHLKQENFSA-N 440.588 4.616 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(N(C)C)CCCCC2)CC1 1507909820 UGBRXRPYXXCXJE-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507912767 UOSRRUIOGAGQRH-VQTJNVASSA-N 447.631 4.856 30 10 IJEE C=CC[C@H](Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1C(C)(C)C)c1ccccc1 1507927776 DBCFKHUCXSQTJG-GOSISDBHSA-N 426.996 4.959 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1CC(F)(F)F 1508009744 YQWCPDSZUYUMDN-UHFFFAOYSA-N 446.296 4.852 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCC1(F)F 1508040230 UWYSTNHAGMZOEP-INIZCTEOSA-N 440.485 4.611 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCC[C@H]2C)C1 1508115351 IVNLIMXNFXANSK-KNQAVFIVSA-N 444.023 4.644 30 10 IJEE C=CCN(C(=O)c1cccc(Oc2ccccn2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1522958662 HJVPWFJVNMYSII-QHCPKHFHSA-N 430.504 4.677 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)cc1 1523870866 DQJVAJTVZLKDNB-UHFFFAOYSA-N 436.489 4.801 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cccc(I)c2)C(F)(F)F)cc1 1532559548 SQBVTVCGJNOTPF-OAHLLOKOSA-N 430.163 4.733 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2c3ccc(Br)cc3nn2C)C(F)(F)F)cc1 1532570726 ZKCQZGAZWMDAQO-QGZVFWFLSA-N 437.215 4.778 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)s1 1537909286 HEHCXAJMJJAAMY-HNNXBMFYSA-N 442.075 4.806 30 10 IJEE Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)COc2cccc(Br)c2C#N)cc1 1539161843 BWMXETSVEWUZEM-FXAWDEMLSA-N 427.342 4.803 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@H]1C 1539499063 CHKCIQSPLSCUPY-GDBMZVCRSA-N 433.419 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCOCCc1ccccc1 1539563352 KMEOFSUTSOPQSL-RUZDIDTESA-N 434.609 4.572 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C)[C@@H](OC)C1 1539587121 WBYRCPKJFMKTSA-ZBEGNZNMSA-N 443.748 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(Cl)nc1 1539652175 OPTWJAUBMYAVSD-UHFFFAOYSA-N 433.947 4.834 30 10 IJEE C=C(Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1539771152 UPYRGNFTMMAMST-NVQXNPDNSA-N 438.616 4.905 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC(C)C)C1 1539823664 HOIBMARNCGEEFV-ROUUACIJSA-N 438.016 4.975 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCCCO)CC1 1539898487 UMYIKPUEMJCFTQ-UHFFFAOYSA-N 426.605 4.720 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539955178 RSYYAODKEGQIRD-IBGZPJMESA-N 429.996 4.697 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(CN2CCCCCC2)CC1 1540012241 GICUZPZMPQGIJA-UHFFFAOYSA-N 427.662 4.989 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCn1cc(C)cn1)C1CC1 1540115253 CSLFELZOVRUKDR-UHFFFAOYSA-N 428.993 4.584 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@H]1C 1540133241 HASUIQVAPJWHSW-PZJWPPBQSA-N 449.624 4.898 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1=CCCCC1 1540176497 DDJZLWNKFMIHCD-UHFFFAOYSA-N 442.567 4.661 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1540818713 BKUAOCOPNRJKOC-SFHVURJKSA-N 442.903 4.720 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1554629826 ACLXXMUEOOXMFC-HOKHCIIBSA-N 439.604 4.836 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(Cl)ccc3NC(C)C)ccc2c1=O 1557448618 QURFFLHGZRXEBH-UHFFFAOYSA-N 428.945 4.597 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 1560180667 DPWLJAOTDAXZDM-QFIPXVFZSA-N 439.600 4.546 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccnc3N3CCCC3)c2)cc1 1562206197 DWGDGJHYTCMDLQ-UHFFFAOYSA-N 441.535 4.649 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(Br)cc1 1562313699 CSEBDIILONHEOY-IBGZPJMESA-N 442.338 4.981 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1562692224 ZURGMRYQJKVYBX-FQEVSTJZSA-N 442.357 4.803 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H]3CCN(C)[C@H]3c3ccc(Cl)c(F)c3)cc2n1 1563301532 FQYCRXAYLGOOFJ-AOMKIAJQSA-N 441.938 4.829 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 1564406752 NGATVMUZELXHSY-ICSRJNTNSA-N 437.506 4.946 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc(F)c(F)c1 1585434769 HTIJHPIUMKMMFP-DNQXCXABSA-N 448.469 4.954 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCCOC 1587719261 XHFZJBDLGVPEOR-UHFFFAOYSA-N 439.785 4.637 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1587723323 IRSAWXGPGSOEPL-DLBZAZTESA-N 433.383 4.918 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 1588063013 IBUFJZXBQQFZJW-UHFFFAOYSA-N 425.536 4.874 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1589317039 JONQBTAWBPAASV-NRFANRHFSA-N 449.393 4.504 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCC1CC1 1589505644 NIHPUZRHRBTEFU-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC1 1589567522 DRRMOIXFGNZNTJ-RDPSFJRHSA-N 438.616 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1589688052 ZGEQRADIXDKIPN-JTHBVZDNSA-N 439.648 4.997 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1593817495 DMGLOSARNZAUDG-SJLPKXTDSA-N 434.943 4.563 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1593899729 BDHBQVCYWUNFMK-NRFANRHFSA-N 430.980 4.567 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1594241466 RDTPUEYIDUATGJ-FDDCHVKYSA-N 428.527 4.531 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2CCN(CC)CCC(F)(F)F)CC1 1594409165 TVPARGRYPHFWMF-UHFFFAOYSA-N 427.559 4.688 30 10 IJEE C=CC[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CC)c1ccccc1 1594545143 QCTKKUIOODHHNS-HSZRJFAPSA-N 445.615 4.658 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1594626709 ODFUSCGFKQZJMO-UHFFFAOYSA-N 427.593 4.523 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1594760516 KJXXWQQFZQOFTR-APWZRJJASA-N 431.378 4.965 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCN(CC)C(=O)OC(C)(C)C 1594894925 BYKFQPFHWLLAJA-UHFFFAOYSA-N 425.533 4.571 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(N(CC)CC)nc1 1594913422 JJLLFAAMVMCDNY-UHFFFAOYSA-N 440.979 4.519 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCO[C@@H](C)C1 1595845678 YSFFFIPETIKJDJ-IRXDYDNUSA-N 437.009 4.606 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2CC)C1 1616615193 HPXKBDDFSDKGJI-MQSCRBSSSA-N 437.588 4.560 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 1624011282 AMDAKAKZSDKFFZ-CQSZACIVSA-N 435.874 4.746 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N(Cc3ccccc3)Cc3ccccc3F)C2)c(F)c1 1626951923 BZZQNCNGVSNUGE-JOCHJYFZSA-N 431.486 4.892 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(Cl)c1 1627814949 RWBFHQVPKZYWFZ-INIZCTEOSA-N 428.895 4.526 30 10 IJEE C=CCSCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1632754529 MILZBFKHBXQIOZ-QHCPKHFHSA-N 438.593 4.585 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)c1ccccc1 1633305884 LINYBMXMEQOXIQ-GOEBONIOSA-N 435.387 4.843 30 10 IJEE C=CC(C)(C)CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1633809045 LDUJNXVEXWNOJT-UHFFFAOYSA-N 442.625 4.795 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 1637678572 NMYSAZQTPACQAV-HNNXBMFYSA-N 439.350 4.646 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 1638459023 RTHFBQXBCMKHRG-OAQYLSRUSA-N 438.936 4.554 30 10 IJEE C=CCC1(CNC(=O)c2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)CCCC1 1638690579 VYUXHCAFBBOSOO-UHFFFAOYSA-N 430.545 4.801 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC 1640332829 BYVHVJUFDPJRJH-QFIPXVFZSA-N 436.552 4.703 30 10 IJEE C=CCO[C@@H]1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 1642388597 NLMJWLGPIDDJNC-FCHUYYIVSA-N 436.379 4.737 30 10 IJEE C=CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652348993 IRQOPCMYIZOEGW-BZUAXINKSA-N 445.654 4.650 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)C1 1654840269 GKEGNMLUNUNQES-MRXNPFEDSA-N 444.984 4.919 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCN(c3ccccc3)CC2)n(C2CCCCC2)c1C 1657023533 GHOCXKRPCSBAFC-UHFFFAOYSA-N 433.600 4.633 30 10 IJEE CCCC(CCC)N(CC1C[C@@H]2CC[C@H](C1)N2C)S(=O)(=O)c1cc(C#N)ccc1C 1660390868 BQUSUZYXPPIZIU-BRTIRZTQSA-N 431.646 4.699 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccnc(Oc4ccc(OC)cc4)c3)cc21 1664928953 DTSORPWMOBNDBX-UHFFFAOYSA-N 429.480 4.740 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1 1668515135 MRLZWIGOBVPKQH-QHCPKHFHSA-N 431.561 4.681 30 10 IJEE CC(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)NC(=O)OC(C)(C)C)cc1 1668529451 CXIKJDMOMUAISQ-RXVVDRJESA-N 428.577 4.711 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H](CC(=O)OC)c2ccc(Br)cc2)c1 1668760143 BXHPSPPGUYTQHA-LJQANCHMSA-N 447.329 4.830 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)c1 1669079573 VPXSKVRXBULNAO-FQEVSTJZSA-N 427.342 4.994 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)c(OC)cc1OC)c1ccc(Cl)cc1F 1670443974 VJEBBRSFWWEKFT-AWEZNQCLSA-N 441.684 4.755 30 10 IJEE Cc1c(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc(Br)c1F 1671589160 DJUZCHRDGTYPAP-UHFFFAOYSA-N 445.336 4.508 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1 1673037703 SASLDCPOHQGVIV-UHFFFAOYSA-N 433.365 4.594 30 10 IJEE C[C@@H](NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccc(C#N)cc1 1677508066 BMEGCDCHUKYNQK-JOCHJYFZSA-N 426.564 4.963 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cn2cc(Br)cc(C)c2n1)c1ccc(F)c(F)c1 1681231860 WXPPCZLRJDVVDW-GOSISDBHSA-N 449.299 4.800 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br 1683313437 VCZAKTJHERLJSS-DZFGPLHGSA-N 429.358 4.771 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 1684008608 QGRRIIDEDQXUET-HXUWFJFHSA-N 429.561 4.638 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C 1684612057 LLLXVTBOOPONCX-SFHVURJKSA-N 436.915 4.900 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1689893002 RRFPADABRWVFTH-LJQANCHMSA-N 431.625 4.506 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCSC1(C)C 1689948892 JVRQKPAKZKMLBV-HXUWFJFHSA-N 433.625 4.954 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1690065194 OTDUXCFSSVSDID-OAQYLSRUSA-N 439.604 4.516 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N(C)C1[C@H]2CCC[C@H]12 1690233902 VMSXJTAUKPNLNN-GJZGRUSLSA-N 449.418 4.722 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCC(F)F 1690241954 ZGHLXEBVTJHPOA-DYESRHJHSA-N 427.499 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)CC[C@@H]1C 1690249073 SVSTZGYPMOSNSD-OVCNXMPXSA-N 430.543 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(c3cc(C)ccc3C)CC2)nnc1C(C)(C)C 1690255601 SZVQHWZPZOFLGQ-GMAHTHKFSA-N 437.632 4.500 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1690305793 IFDNCDMDUOKHQD-GHTZIAJQSA-N 437.975 4.969 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@@H](CC)C1)c1ccccc1 1690444666 KOHJQQIMUAQBGV-PKTZIBPZSA-N 433.625 4.956 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690472459 OATZPLJJUJZEGI-VWPQPMDRSA-N 425.621 4.920 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690493261 BRKZIINWOMHMHA-QFIPXVFZSA-N 434.588 4.732 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@H]1OC 1690533513 LKHODNBPOXKNCK-RHSMWYFYSA-N 425.360 4.601 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1CCC(OC)CC1 1690572253 XMLXRPMYTDIRIS-UHFFFAOYSA-N 449.574 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1690574360 XSGCOMYAIZHBCA-QHCPKHFHSA-N 428.602 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@@H](O)C1 1690575879 FAUKJOUJFSKRFW-ZWKOTPCHSA-N 426.561 4.889 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC1(C)CCOCC1 1690602061 GVKMBQNRAWPUHQ-UHFFFAOYSA-N 431.584 4.700 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CCn1cc(C)cn1 1690605257 CTIQYQBMCPQMLW-UHFFFAOYSA-N 436.947 4.632 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](SC)C(C)(C)C 1690624356 OTUCCNDXXSHWKX-CEXWTWQISA-N 438.682 4.613 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 1693695959 DIUCOMKCHUFXGZ-ZJSXRUAMSA-N 434.632 4.810 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N 1698329325 GQBFMRBWMBIHMZ-CYBMUJFWSA-N 442.416 4.901 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCCN1CCCC[C@H]1C 1705502957 LJYQYHFJVHGURI-XZOQPEGZSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705513735 XHOSPGUUFSNXTJ-UHFFFAOYSA-N 436.991 4.824 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1C 1705539473 SCHOGSGUJLIBOS-NRFANRHFSA-N 437.588 4.708 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1705617242 XYXDBLGTIWOULK-WOJBJXKFSA-N 438.616 4.818 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H](C)C#N 1705653717 OCIWLOYWFMOAAM-CQSZACIVSA-N 430.002 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC=CO1 1705669436 MVKVDSRDUCFTJB-HRAATJIYSA-N 445.336 4.532 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC(c2ccccc2CO)CC1 1705681345 SSOPGJQMNJTUHL-OAHLLOKOSA-N 433.394 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1705696747 QBHQRPRGEYYBPC-QWIQJREVSA-N 440.588 4.568 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS1 1705799073 LBYQFRPSZQIVDX-QGZVFWFLSA-N 438.601 4.672 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(Cl)nc2C1 1705808375 KVTLIYDDSJDPMB-UHFFFAOYSA-N 428.993 4.601 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOc1ccccc1)C1CC1 1705852404 ZPPHIAHVWZPMEG-UHFFFAOYSA-N 442.361 4.660 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C/C=C/c1ccccc1)C1CC1 1705856439 SIFNZLGWHHJMRE-QEOITGFPSA-N 449.599 4.917 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCCCO1 1705879398 XKXBJUPICOYPPW-LJQANCHMSA-N 441.963 4.781 30 10 IJEE COCC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CCC1 1712191562 CXOLATHCQWCFPG-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCCC1(F)F 1712441871 CUVWREWKOHMPNH-FQEVSTJZSA-N 445.558 4.926 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nnc(CC)s1 1722276548 DWQDAUQIZSIDEB-GFCCVEGCSA-N 443.001 4.733 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](COC)C1 1722311339 UOGSOWPMRYCPBC-LJQANCHMSA-N 435.597 4.653 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722336252 IYYINWIHJHHGNJ-OAQYLSRUSA-N 438.572 4.669 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(OC(C)C)c1 1722503198 BUFDWXIIFJQWEK-ZJSXRUAMSA-N 449.599 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)CCc1ccccc1 1722505896 KUMFHRVVLXSAPB-VWNXMTODSA-N 431.584 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)CC(C)(C)C1 1722511172 XJCJUCAHQYVWJZ-ZYKOEDHHSA-N 438.616 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCc1nc2c(s1)CCCC2 1722514004 RAZAYYKTUJJQNY-UHFFFAOYSA-N 439.604 4.988 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(NC(C)C)CC1 1722520875 QAFCDQNFUVJOKT-UHFFFAOYSA-N 432.410 4.559 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C2CC2)C1 1722611606 KVRWKUAIZLFPLH-KRWDZBQOSA-N 431.378 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1cc(C(F)(F)F)ccn1 1722633879 GJZREPCIAFSTCN-UHFFFAOYSA-N 438.457 4.772 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCO[C@H]1C(C)C 1722637013 OBZWJETYJMPGFG-APWZRJJASA-N 433.394 4.781 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCc1cccs1 1722656493 CSYBVZISKHOBDN-UHFFFAOYSA-N 440.576 4.632 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCN1CCC 1722659677 ZGSDPMFREVZOJD-DNQXCXABSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCOC1 1722662693 LLOWLRKGIKDLDW-HXUWFJFHSA-N 438.597 4.765 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC(Oc3cc(C)ccn3)CC2)cc1 1722703019 SVYACIQFPMXOBW-UHFFFAOYSA-N 447.583 4.766 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCSc2ccccc2)C1 1722717873 NZERESDCJFWLFY-GOSISDBHSA-N 441.988 4.567 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(C)C)CC2)cc1C 1724389568 CZZWUZBUSKEDBQ-XMMPIXPASA-N 434.588 4.714 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1CCSC1 1740566533 VTUKCWFWBOZLGD-OAHLLOKOSA-N 437.382 4.592 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)(C)C)CC1 1740583969 BGZBQJHINQBYPC-QFIPXVFZSA-N 437.632 4.759 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1740746958 SNKMSIKODBAPSC-MRXNPFEDSA-N 428.378 4.741 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C2CC2)C1 1740747986 CTSFKPCPMSWVDZ-GOSISDBHSA-N 431.378 4.619 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccc(C)cc1 1740763841 QOFLWXYXKVCAHH-RCZVLFRGSA-N 438.616 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1740821753 QEKAYVJJDFXBEU-UHFFFAOYSA-N 441.551 4.640 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1740861974 GNNHRXHMUIWOAM-NRFANRHFSA-N 440.567 4.832 30 10 IJEE C=CCN(c1nnc(Cc2ccccn2)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 1740912134 SULIXKIYOZUOAN-UHFFFAOYSA-N 443.473 4.560 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](c1ccsc1)N(C)C 1740917951 COVKGNJAJHBCFS-HSZRJFAPSA-N 444.608 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1740931148 BLNPRIHJSUFAFU-NRFANRHFSA-N 428.024 4.821 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCCC1(C)C 1743917706 FHDIQLOKIJHJEK-ATIYNZHBSA-N 435.616 4.891 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(CC)CCC 1748646822 FJODTNHVLNGLNC-GOSISDBHSA-N 436.629 4.567 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(OC(C)(C)C)CC1 1748701698 OKDOQGFOCODVGQ-UHFFFAOYSA-N 446.599 4.923 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1748719383 ZMYMDDZZFZWELU-UHFFFAOYSA-N 427.577 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC[C@@H]1C 1749054034 OECZVELKEGQPNG-GSRZOBFVSA-N 442.991 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1749058660 NVWPBPVELVRCMB-AXHZCLLHSA-N 426.008 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1749072033 CKPVYPPKNLFKBT-ZEQKJWHPSA-N 447.652 4.788 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1749136601 PMXNZYIKJFISAN-IQQIVJJCSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(c2ccccc2C)CC1 1749144352 XYSDYJYTBGQQGF-SANMLTNESA-N 438.616 4.761 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)C)n1CCc1ccc(OC)c(Br)c1 1749162591 QOZFULPYQULRME-UHFFFAOYSA-N 435.410 4.893 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1cc(C(C)(C)C)no1 1749170867 MDBBKEJDLBCUJU-UHFFFAOYSA-N 427.524 4.732 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749219500 JUWUQIXVARLYJN-OAQYLSRUSA-N 449.599 4.870 30 10 IJEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)(C)CC)CC1 1749297877 KSPXKXOZTASXNV-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1749345411 HEBNOKNCFDCHBN-UUOWRZLLSA-N 442.677 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@@H]1C 1749356257 ZUFIJKQQHIVDGN-AWEZNQCLSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(CC)C1 1749358328 IJXRTRNTRXCMBM-VWLOTQADSA-N 434.588 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749359381 JVGPVEKZJFXKHX-WIYYLYMNSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749373301 LATLMTJGXYFAKC-NRFANRHFSA-N 437.636 4.508 30 10 IJEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1749460917 JCVOAZQWCLHOAY-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE CC(C)(Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1)c1cccs1 1750528634 AXZKRAHQKDFOBX-UHFFFAOYSA-N 439.560 4.775 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1csc2ccccc12 1760226045 IEBYZLGMGWNWAN-UHFFFAOYSA-N 440.370 4.758 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](OCC2CC2)C1 1760343798 UVERRIIMFNUGQQ-QGZVFWFLSA-N 449.368 4.818 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(O)(CC)CC)CC1 1760385575 XCCLOSXEYMVEII-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCOC[C@@H]2C)CC1 1760386475 ZSXCFCSYMOGWAB-IRXDYDNUSA-N 431.378 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@H](CC)C1 1760416200 WWZVRECBUWJFHA-GOSISDBHSA-N 430.618 4.800 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760430124 ZUWSWDRMHNGILK-GHTZIAJQSA-N 430.980 4.872 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc(Br)cs1 1760451966 ZMKRHHYPRMVAHZ-UHFFFAOYSA-N 441.439 4.920 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1)SC 1764021460 DPELFQNIYCQDCM-LEWJYISDSA-N 439.629 4.744 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@@H](C)CC#N)C1 1766077893 BVQVEUGIZFFVCB-FHWLQOOXSA-N 440.661 4.602 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(Br)cc2)SC1=Nc1ccc(F)cc1 1772723101 HRDARPDOPDKGSF-GOSISDBHSA-N 447.329 4.979 30 10 IJEE CCCCCCCCn1cc(O[C@@H](C)C(=O)Nc2ccc(C)cc2)c(=O)cc1C(=O)O 1857890180 LMLKBXLCKYRLMB-SFHVURJKSA-N 428.529 4.621 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1OCC 1860729079 VOWJMEBSMTZXDG-UXBLZVDNSA-N 432.314 4.776 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862476421 KUAFWWZHRCMJTO-QHCPKHFHSA-N 433.504 4.875 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2C)cc1 1862589207 GTCAQHYWFFZZLD-XMMPIXPASA-N 427.500 4.830 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862597252 XQTPNXVMOHHGPX-DEOSSOPVSA-N 438.483 4.960 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862624815 QNLQKYQXXQRCTD-LJQANCHMSA-N 443.927 4.950 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2)cc1F 1862636839 POVKTVPRWUZEEY-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862638234 XABSXSCFBZMURP-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1862654463 YSXOKZRXFHNGRO-QHCPKHFHSA-N 431.488 4.875 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862672521 CMAXUOSEKLNSAL-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862675958 XNNUQGVGIUYFEP-FQEVSTJZSA-N 431.891 4.873 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(C)c2)c1 1862699784 YNBDSCHSYHRMJS-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)c(O)c1 1862727916 OZDJXCHYRFSGMY-DEOSSOPVSA-N 441.483 4.832 30 10 IJEE CCCC[C@@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1cccc(C#N)c1 1866602778 VKUXLLSLTNQNTR-JOCHJYFZSA-N 435.572 4.507 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1 1868716075 XGLPFWLZFFTNFV-AREMUKBSSA-N 440.534 4.972 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCC[C@@H](C)C1 1870527817 JJWWMXLUIDWTDA-YADHBBJMSA-N 447.664 4.734 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870812606 FVISTAOGHQNWMV-UHFFFAOYSA-N 427.589 4.687 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2ccc(Br)cc2)cc1=O 1870838589 KIRNFWVAPPPHJC-UHFFFAOYSA-N 437.378 4.564 30 10 IJEE COc1ccc(OCCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1 1871345427 UOVVEAWUMKQAKP-QRVIBDJDSA-N 447.487 4.752 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1OC 1871367239 AQMDEBAUIJNVNW-OYKKKHCWSA-N 448.446 4.997 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871371466 RFJUQSASTBYMJS-OYKKKHCWSA-N 429.472 4.662 30 10 IJEE COc1cccc(/C=C2\Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c1OC 1871396443 GAZXWKRZHYMZKP-NNMJQWOPSA-N 437.536 4.812 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)s1 1871443727 DODRIASKBBYLLS-MXDDHBLUSA-N 449.532 4.740 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872098862 MNTBQNSIDSPPIW-HSZRJFAPSA-N 439.581 4.625 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872426500 BRMFZWKBESWZCX-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccccc1 1872570878 YXRDQPPEWMRRLL-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccccc1 1872605296 RFFXCUDWASDKIX-QHCPKHFHSA-N 430.614 4.800 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 1872614014 XNFXYAIZVYARSJ-QHCPKHFHSA-N 430.614 4.963 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCCCN(C)C)ncnc21 1873626782 RAGRMURIYBEVTD-UHFFFAOYSA-N 434.588 4.576 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873647383 XOGMKWMALUMXLD-QZTJIDSGSA-N 433.556 4.607 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccco1 1874295581 JEUGPUDRLNNTNV-YDZHTSKRSA-N 437.456 4.684 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874492390 LFKPOROBGNFNJH-JVWAILMASA-N 449.624 4.891 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(OCC)cc1 1874503540 MWJNQVHRJYNGPB-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCCc1nnc(SCCCO)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874510235 IMOSHQFJXXZMFX-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1ccc(C(C)C)cc1 1874510249 JAIBPQLDZQBMPA-LFVJCYFKSA-N 429.634 4.977 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874511292 RUDJDNBYCRRYLT-HUSFYUSLSA-N 441.988 4.736 30 10 IJEE Cc1cccc(NC(=O)CSc2nncn2/N=C/c2c(Cl)cccc2Cl)c1C 1874534305 BLFBCODSQAOWKU-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE COc1ccc(CCc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 1874565432 ZTNUXCZCSUNVHV-YZSQISJMSA-N 444.560 4.822 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccccc2OC)cc(Cl)cc1OC 1874576937 NWEDCLUKXXHJIC-VAWYXSNFSA-N 431.916 4.501 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCc1nc(O)c2ccccc2n1 1874594337 DRRDDCQSLIASIH-ACCUITESSA-N 442.471 4.828 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1cccnc1 1875094262 JURVSOUYJSNMNZ-ZHACJKMWSA-N 444.443 4.842 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOC)c(Br)c2)cc1 1875130198 MKSXKFFHHQSMPI-ONNFQVAWSA-N 433.298 4.686 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1C 1875191300 GZMKYOBJMWBFSO-SOFGYWHQSA-N 432.476 4.534 30 10 IJEE CN(CC1CCN(C(=O)[C@@H](c2ccccc2)C2CCCCC2)CC1)c1ncccc1C#N 1890982457 KVSLAMHIZLTYNU-VWLOTQADSA-N 430.596 4.992 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3cc(-c4cccc5ccccc45)on3)C2)c1 1891708812 GVOQYFIVYSOKIX-LJQANCHMSA-N 438.487 4.693 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)c1nc(CCNC(=O)OC(C)(C)C)sc1C 1922080040 KLJSMQJXGHDUMX-NRFANRHFSA-N 445.629 4.942 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C[C@H](C)C#N)C1CC1 1984693827 DHKZMMJHLXCJRD-CJAUYULYSA-N 445.563 4.700 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 2032369815 VQBXHGTVRFQCBZ-FXAWDEMLSA-N 445.560 4.976 30 10 IJEE C[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(/C=N/O)c1I 2079102702 ULOXPHXFMBEQSF-BERGCFNWSA-N 431.224 4.720 30 10 IJEE Fc1cccc(C(F)(F)F)c1Cn1ncc(I)c1C(F)(F)F 2079125932 XCVOCKGHEVGBDG-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE Fc1cc(Cn2ncc(I)c2C(F)(F)F)cc(C(F)(F)F)c1 2079126178 YVWCNNGWSBGBLP-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE Fc1cc(-n2nc(I)c(Cl)c2C(F)(F)F)c(F)c(F)c1F 2079202164 ZBUNDDRVSJUXAK-UHFFFAOYSA-N 444.475 4.706 30 10 IJEE CC1(C)OB(c2ccoc2CNc2cc(F)c(Br)c(Cl)c2)OC1(C)C 2101330085 XZYQJYRVVSGSIR-UHFFFAOYSA-N 430.510 4.746 30 10 IJEE CC1(C)OB([C@H]2[C@@H]3CN(Cc4ccc(Cl)c(Br)c4F)C[C@@H]32)OC1(C)C 2110460752 IABRUYPAPYVSII-IMRBUKKESA-N 430.554 4.766 30 10 IJEE CCc1nc(Nc2ccc(I)cc2Br)c(C#N)cc1C 2155480652 RYMDOMXPEGQPAL-UHFFFAOYSA-N 442.098 4.935 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 2159120346 GGRHZDKESNESGP-OALUTQOASA-N 441.385 4.806 30 10 IJEE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cnc1C#N 2174712300 NQRXXSJGMRKHNZ-HNNXBMFYSA-N 437.382 4.579 30 10 IJEE C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1C#N 2181046777 MNEPZJWDQAYUIV-UONOGXRCSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C#N)cc2Br)C1 2181144168 QKQNKOCASPVQKV-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2cc(Br)ccc2C#N)C1 2181144260 RIJAXJZYBYMRJR-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2F)NCC)C1 2183008383 NPNOPZSENSLXTL-SFHVURJKSA-N 441.385 4.970 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)C1(C)C 2186214361 OUULJJCKJIKWMJ-BBRMVZONSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)Nc1ccc(Br)cc1C#N)C1CCC1 2186782632 HVKCZLHLBZLPJP-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2215217985 NEIYBEYHXUFRJX-HSZRJFAPSA-N 431.508 4.860 30 10 IJEE Cc1cccc(CNC(=O)OC(C)(C)C)c1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2232316991 WGMKCQLTIRZTIX-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE Cc1sc(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c(C)c1Br 2234512578 MVIITZMLCPIFLM-BFUOFWGJSA-N 440.212 4.826 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2235720191 BYXHHXJVFMDILJ-AZUAARDMSA-N 435.406 4.720 30 10 IJEE C[C@H](C[C@H](N)C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235747121 NMWMITUOQWGWNC-NZSAHSFTSA-N 435.406 4.801 30 10 IJEE CC1(C)OB(c2cc(Cl)ccc2C(=O)N(Cc2ccccc2)CC2CC2)OC1(C)C 2247778523 DBGRAFHPLYAOJM-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268794054 PSRFIARJFTXUGY-QGZVFWFLSA-N 442.365 4.792 30 10 IJEE CC1(C)OB(c2ccc3nccc(OC4CCN(Cc5ccccc5)CC4)c3c2)OC1(C)C 2287717627 DDKJUYWSPVUEOJ-UHFFFAOYSA-N 444.384 4.577 30 10 IJEE Cc1sc(CCNC(=O)OC(C)(C)C)nc1C(=O)C#Cc1ccc(Br)cc1 2296231687 GZERMSXSJPLHLK-UHFFFAOYSA-N 449.370 4.516 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2296294377 TUDWFXFDYHILNU-MOPGFXCFSA-N 433.390 4.711 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2296294560 VTGZXJJEZOLLJD-ICSRJNTNSA-N 437.422 4.966 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 2296296809 RRTYZTBTSJUPTO-CNNODRBYSA-N 433.390 4.711 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296303477 WTMFWVYESOVAJK-CVEARBPZSA-N 449.311 4.624 30 10 IJEE CC[C@@]1([C@H](C#Cc2ccc(Br)cc2)NC)CCCCN1C(=O)OC(C)(C)C 2296309664 YVFVOCSMCLUNPH-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2296311435 WZYSQKWSRYDEMS-OXJNMPFZSA-N 445.348 4.717 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1 2296933396 JJEMAFPZOKLBBD-OAQYLSRUSA-N 434.517 4.554 30 10 IJEE CC1=CC(=O)C(=C2C[C@@H](c3ccc(Br)cc3)Nc3ccccc3N2)C(=O)O1 2297104875 COIPLQLDXBSOQY-KRWDZBQOSA-N 425.282 4.702 30 10 IJEE C=CCN1C(=O)C(=Cc2cc(Br)c(OCC)c(OCC)c2)SC1=S 2313653007 CQCXYAXRJIYTRI-UHFFFAOYSA-N 428.373 4.634 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2CCc2ccc(C)c(C)c2)cc1Br 2322044966 YHYUFPVAXKPABC-UHFFFAOYSA-N 445.386 4.622 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(CC)cc1 2322353514 QMIBRQXYDOPJTP-UHFFFAOYSA-N 430.342 4.813 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(F)cc1F 2322487742 IEDAXXWSAJWCNM-UHFFFAOYSA-N 438.268 4.528 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2cc(OC)ccc2OC)cc(Cl)cc1OC 2322659871 AJODGTGRFOGSRT-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1OC 2323096942 QNAKPTWLGWNODM-UHFFFAOYSA-N 448.446 4.997 30 10 IJEE O=C1C(=Cc2ccccc2F)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 2323561732 IGRKASFHGUVLQY-UHFFFAOYSA-N 428.371 4.768 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2323692089 CACGTYVUOSWMEE-UHFFFAOYSA-N 440.496 4.527 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325198594 ZDUAFEQUQITYOY-UHFFFAOYSA-N 438.480 4.547 30 10 IJEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1C 2325745499 CGQWRNDVGXEXDS-UHFFFAOYSA-N 444.483 4.955 30 10 IJEE COc1ccc(Br)cc1C=Nn1cnnc1SCc1cccc(Cl)c1 2326461185 ZTCXOCREPIMEME-UHFFFAOYSA-N 437.750 4.877 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(OC)c(O)c1 2328557143 TUTHYSOIZKRKAU-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE CCCNC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2330085663 ARYWACQIGFVOSP-INIZCTEOSA-N 441.988 4.584 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCCSC 2330643106 RBYZAVSSLSGXAT-UHFFFAOYSA-N 429.494 4.938 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 2330785708 SWYMUHUFGTWTLM-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)c1csc(Br)c1 2337333289 YEKGSRLOEWPWFV-UHFFFAOYSA-N 426.185 4.693 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587687 YBGTVLCBDIHCQA-OALUTQOASA-N 444.381 4.893 30 10 IJEE CN[C@@H](C#C[C@@H]1CC1(C)C)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2365079279 FNGYAAIMMHBQCP-NEWSRXKRSA-N 435.406 4.522 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13638901 OKCYGRVVMDSKKJ-WFXMLNOXSA-N 445.382 4.740 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644545 YSOAJBIUOQPOPV-UHFFFAOYSA-N 442.581 4.727 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)cc1 21078473 RCYHEJGSKTUJHN-SSDVNMTOSA-N 449.367 4.987 30 10 IJEE COc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)o2)cc1 33308330 ATORPZRWQVDVOL-UHFFFAOYSA-N 444.422 4.587 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1 33380746 SUVYZEHBZDHIEN-JOCHJYFZSA-N 428.419 4.745 30 10 IJEE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814704 NRBIPXKPRWBYLY-LGUFXXKBSA-N 434.452 4.910 30 10 IJEE CNC(=O)COc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1OC 98008562 UVBFHDBJJIBZKW-CLTKARDFSA-N 428.699 4.676 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(OC)c2)c1 169934789 UNEDKWGNHVSURL-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OC)c(OC)c3)n2)cc1OC 169942150 ZYPKGNIHHFNIFV-YVNNLAQVSA-N 433.917 4.944 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(OCC)c1 169974455 AYUISPQLJNFBIR-NRFANRHFSA-N 427.472 4.699 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2sccc2C)c1 170105234 CFLYPRVPPKKENB-NRFANRHFSA-N 447.512 4.783 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(N4CCCC4)cc3)=C(c3cccs3)C2=O)cc1 170121891 LKHKEJSBJMFBKL-UHFFFAOYSA-N 440.528 4.617 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1 170230571 NMYRIPDZBFRYRC-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)ccc1Cl 170230588 BQKVDLNTNVJFBD-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(O)c1 170260031 NDQRVOLROHVANK-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cn(C)c2ccccc12 170268917 IKUQSJMULIEXFG-DEOSSOPVSA-N 440.499 4.556 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C 170275765 JMGFYHUBHLRJRG-IBGZPJMESA-N 434.319 4.917 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccccc1C 170276998 GNQRRFMINDIPME-FQEVSTJZSA-N 429.900 4.654 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@H]1CCCO1 170315914 GMVYUVXRIPAJOW-DYESRHJHSA-N 433.529 4.967 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170328576 WKAXHDBLXJMNGO-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1C12CC3CC(CC(C3)C1)C2 253559959 AFIQTZZNWHHOKM-UHFFFAOYSA-N 444.551 4.941 30 10 IJEE C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428194865 GPDNIKZNJYXULQ-INIZCTEOSA-N 437.341 4.587 30 10 IJEE CC1(C#N)CCN(Cc2ccc(Br)cc2CN2CCC(C)(C#N)CC2)CC1 433241587 RCQJWLVYLNKALL-UHFFFAOYSA-N 429.406 4.700 30 10 IJEE N#Cc1cccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 469750129 WXLCVWJYYDQPFK-QGZVFWFLSA-N 428.332 4.810 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2)c1 490042994 KHFCDONNDQFQNG-VWLOTQADSA-N 448.482 4.590 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccc2c(c1)OCCO2 500091265 LIFNACVZLBAECK-UHFFFAOYSA-N 434.305 4.507 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 503114642 ZQASLRQGYIGSEO-GAJHUEQPSA-N 443.544 4.704 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 569173268 NIIHSPRIKVVQPD-APWZRJJASA-N 436.487 4.813 30 10 IJEE C=CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OC(C)C)cc1 586150495 MHARSVLDGJKYIO-UHFFFAOYSA-N 442.625 4.705 30 10 IJEE C=CCCCN(C)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 605677319 POHZMIATOCEITF-UHFFFAOYSA-N 428.598 4.501 30 10 IJEE C[C@]1(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCCN1C(=O)c1ccccc1 609727330 JODGEEISANXMGA-HHHXNRCGSA-N 439.515 4.771 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)c3cnn(CCC#N)c3-c3ccccc3)s2)cs1 617449808 XEXDNUXAJLDHHM-UHFFFAOYSA-N 433.562 4.887 30 10 IJEE CN(C(=O)c1cc(I)c(Cl)cc1Cl)c1ccc(C#N)cc1F 618647346 HWQATKYLSINZTL-UHFFFAOYSA-N 449.050 4.885 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OCc2ccc(F)cc2)CC1 669807464 ZRFVNTFNCKTYAG-UHFFFAOYSA-N 445.542 4.948 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 670220778 XLQVWSROVNUHRW-UHFFFAOYSA-N 439.579 4.634 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 698869145 RQSUFQUINIFMOW-LJQANCHMSA-N 435.487 4.715 30 10 IJEE COC[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 752857067 PIYGFPCGMFVWLG-JMSVASOKSA-N 430.364 4.722 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(F)c(C)cc2F)[n+]2cc(O)ccc2C)c1 753974084 IHVWAQHERKWXNB-UHFFFAOYSA-O 437.491 4.879 30 10 IJEE C=CCN(C(=O)CCC(=O)N1CCOc2ccccc21)c1nc(-c2ccccc2)cs1 755106593 FLIXPHIJYFEKME-UHFFFAOYSA-N 433.533 4.535 30 10 IJEE CS(=O)(=O)c1ccc(-c2nc(CON=Cc3cccc(Cl)c3Cl)co2)cc1 761312478 GBSVHZMETJHTAA-UHFFFAOYSA-N 425.293 4.603 30 10 IJEE C[C@@H]1CCCC[C@H]1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl 762439041 CMLZOOXJFXFUQD-RHSMWYFYSA-O 428.965 4.584 30 10 IJEE N#C[C@@H](C(=O)[C@H]1CCCN1c1ncnc2ccccc12)c1nc2cc(Cl)ccc2s1 783068991 BVMFRPFPPAEHFC-MAUKXSAKSA-N 433.924 4.738 30 10 IJEE N#CCOc1ccc(Cl)cc1CS[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O 783904286 TWCAMEJEHCECAI-KRWDZBQOSA-N 428.863 4.591 30 10 IJEE COc1ncccc1-c1csc(=Nc2cccc(NC(C)=O)c2)n1CC1(CC#N)CC1 803179362 HZOVGPFSXITDAP-UHFFFAOYSA-N 433.537 4.505 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(NN=Cc2ccccc2Cl)n1 1084416925 FTGXUHMAJHBIEY-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(Br)cccc1Br 1125488139 XCCLIXBAVQOANQ-UHFFFAOYSA-N 434.131 4.912 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 1125778922 AXNOHXGLQKJKTO-UHFFFAOYSA-N 443.446 4.808 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 1126052863 CMPKMLWLNCXDLV-WFASDCNBSA-N 444.354 4.765 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)cc1 1129074180 OYAHWXAODOHULB-HHHXNRCGSA-N 432.608 4.943 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 1129663675 JOLATSXZDKXYKR-SFTDATJTSA-N 431.363 4.902 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1132189190 HRMQEBNXEMORRM-UHFFFAOYSA-N 445.283 4.771 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)s1 1141889388 IZSKPFNVVFMUDD-UHFFFAOYSA-N 440.472 4.939 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccccc1 1157631685 XLYBISMQQAVFGB-KCWPFWIISA-N 445.563 4.668 30 10 IJEE N#Cc1cc(C(=O)Nc2cc(O)c(Br)cc2Br)ccc1Cl 1161266389 DHXUXKFYKNVIAN-UHFFFAOYSA-N 430.483 4.695 30 10 IJEE C=CCCN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)OCc1ccccc1 1193564060 QLRJYBYVMQSPSW-UHFFFAOYSA-N 437.853 4.844 30 10 IJEE C=CCCN(CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)OCc1ccccc1 1193565581 ZQHPDKKUOHNTTL-KRWDZBQOSA-N 442.581 4.608 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 1194551492 IDLUGDOBAOXHHF-CYMONXJESA-N 446.433 4.633 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nc(C(F)(F)F)no1 1201226080 GWCYRQJLMVWDQE-SNVBAGLBSA-N 435.337 4.774 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2cc(OC)c(Br)cc2Br)c1 1217241266 ZQDNBYNRCKIHRN-UHFFFAOYSA-N 438.119 4.523 30 10 IJEE CC(C)(C)c1csc(NC(=O)NCCC(=O)Nc2ccc(Br)cc2)c1C#N 1218507409 HTJSUQOVZTYCNI-UHFFFAOYSA-N 449.374 4.830 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1221993180 VOGIJKUOBLARNZ-UHFFFAOYSA-N 448.563 4.743 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(CCN3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1264790376 DTHLFMHMFCAFFW-RUZDIDTESA-N 427.589 4.609 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCCN1C(=O)OC(C)(C)C 1270612504 DKNOGDPMMLHPJO-SANMLTNESA-N 448.567 4.618 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)c1ccc(Br)cc1 1275474432 OKOSCQYRENDVGZ-SFHVURJKSA-N 431.305 4.677 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1286431388 WXNPCQXAYBBWHC-RSXGOPAZSA-N 430.596 4.642 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)C(=O)OC(C)(C)C 1286438813 GXRXREITLLWVSY-UHFFFAOYSA-N 439.604 4.569 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286498310 DYYDRCQWZMDUHE-GCJKJVERSA-N 438.641 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H](C)COCc1ccccc1 1286525854 SYOIRXTUGXORRQ-NBGIEHNGSA-N 434.609 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1286563559 VMTSQEFAWWBNBL-IFXJQAMLSA-N 437.346 4.965 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC(C)C)C1CCCC1 1286565776 PUZKYSDXUKMFFE-QPPBQGQZSA-N 440.636 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCC(C)CC1 1286584139 YQQQVVLNNKPCRU-UHFFFAOYSA-N 425.621 4.608 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286621423 HWMOIFBJTIBGCE-KRWDZBQOSA-N 445.995 4.706 30 10 IJEE C=C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1286637018 RBAMLNKODRLXNN-RTBURBONSA-N 429.609 4.738 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)CCOC)C1CC1 1286734970 JKHXNGFAPRAFAX-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCOC1 1286747586 LJPUGFWZIZGNIU-INIZCTEOSA-N 429.977 4.674 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCOC[C@H]1C 1286748337 VZQSQHUACPJEFZ-KNKQGSTJSA-N 428.552 4.524 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)N(C)C 1286749195 MSEDFBMGBLRGPA-FPOVZHCZSA-N 441.601 4.670 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1cccs1 1286760037 IFJHVNIRVFEWHF-FQEVSTJZSA-N 449.624 4.504 30 10 IJEE C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1286837824 ORTPGIQXGLTHCY-BOPFTXTBSA-N 444.564 4.687 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1292791927 GFFROHZXQRNSKG-UHFFFAOYSA-N 440.366 4.888 30 10 IJEE C=C(CCC(=O)OC)C(=O)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1 1295898125 UNRUIXPHBQZPJU-UHFFFAOYSA-N 439.256 4.919 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1300751562 LSVJJHFDCPSECD-ZWKOTPCHSA-N 433.021 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCCOCCC(C)C 1300798088 JTVJSCPPEUXPML-AREMUKBSSA-N 431.584 4.938 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCSC(C)(C)C1 1300832156 FWJZHURDMKCWQT-UHFFFAOYSA-N 433.375 4.932 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nnc1C(C)(C)C 1300895020 LBIXSWZSFYKRSA-JHMKDJTOSA-N 442.579 4.662 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCn2cc(C(F)(F)F)nc2C1)c1ccccc1 1301004201 VLIVCKZAUYTCQX-HNNXBMFYSA-N 430.478 4.741 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN(C)CCCC)CC1 1301066069 NRBIHPNKFATJLA-IBGZPJMESA-N 432.012 4.960 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1301096796 FPJSTUZOZSCDGM-YUMYIRISSA-N 430.637 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCSCC2)CC1 1301113611 ADMPJCYBSRQSOL-UHFFFAOYSA-N 439.673 4.694 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)CN2CCCC2)CC1 1301114154 KWAKBHUVZCKHIV-GOSISDBHSA-N 444.023 4.741 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC(C)(C)OC[C@@H]1C 1301206965 MGUFTMSDEXAHQN-HNNXBMFYSA-N 449.393 4.686 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(F)(F)F)CC1 1301245911 JMIJUIDQVZXBMB-UHFFFAOYSA-N 445.489 4.865 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1Cc1ncnn1C(C)(C)C 1301349338 JIKFOXZULQLKKZ-KRWDZBQOSA-N 425.556 4.518 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](c1cccnc1)C(C)C 1301379161 CHEPKXNTTOXTHB-NRFANRHFSA-N 431.540 4.687 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301601928 KAKRKVBRUANMSZ-HOTGVXAUSA-N 436.984 4.520 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1306272832 CHMHGVTXVWCJIZ-CPHWIANGSA-N 437.588 4.557 30 10 IJEE C=CCn1c(SC[C@H]2CCC(=O)O2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1307251902 LNZFUJAHQXWQHG-OAHLLOKOSA-N 430.526 4.556 30 10 IJEE CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1310465786 FRKJODQYUUMABQ-IBGZPJMESA-N 425.895 4.925 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)Oc1ccccc1Br)[C@@H]1CCCc2ccccc21 1312192699 LDSBYANLHKXTSN-DYESRHJHSA-N 441.369 4.939 30 10 IJEE C#CC[C@@H](NC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1ccccc1 1312322320 PTNSOKUDFXIACK-JOCHJYFZSA-N 430.527 4.870 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 1312939097 DHVJJHGINLKREG-OAQYLSRUSA-N 426.358 4.565 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1)c1ccccc1 1313219562 OZNHHLBOPCQMAD-HSZRJFAPSA-N 435.568 4.569 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 1357998034 XHKISDOXJTUMEG-NRFANRHFSA-N 428.557 4.933 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@@H]1C 1358972414 DEOUUCMCLLRWEC-LPHOPBHVSA-N 425.374 4.525 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C(C)C 1359009770 YEDOCNNSNKCIPN-UHFFFAOYSA-N 431.625 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(C)C)N(CC=C)CC=C 1359066634 IHPDZCBJTMMQRV-SHQCIBLASA-N 442.611 4.507 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1 1359071132 FRFZLHYBXNAKAS-RUZDIDTESA-N 440.035 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1359094356 ADXRDDLTKJNHGE-ZJBJCVSYSA-N 441.526 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1359109620 IQYNZTMLPZMNJL-DENIHFKCSA-N 440.588 4.918 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1359121978 QHLXMHMDCMXJJP-LJQANCHMSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1359193006 UPFZQOZCCJBQFS-NBGIEHNGSA-N 442.579 4.666 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](C)N1CCCCC1)C1CC1 1359253784 URCCFRUQJMOZPG-KSEOMHKRSA-N 429.653 4.616 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1359271115 LJMFVNCPTROGJB-QHCPKHFHSA-N 449.599 4.875 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1359273158 QSXBKIHNOLKSFO-DFBJGRDBSA-N 443.586 4.836 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1cccs1 1359277802 WGQQVIZYCWUGMV-HSZRJFAPSA-N 426.586 4.733 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@H](C)C#N)s1 1361271753 AONSSZJOYBWBCR-GFCCVEGCSA-N 448.365 4.861 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 1446879873 RKPFWVXOPXQXND-OAHLLOKOSA-N 426.941 4.802 30 10 IJEE C#CCN(C(=O)CCCc1ccc(CCC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1455809748 GBMQIFQTWDISSH-UHFFFAOYSA-N 426.601 4.823 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 1459417075 MDKUUPZVDVATNZ-IBGZPJMESA-N 426.582 4.929 30 10 IJEE C=CC1(CC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)CN(C(=O)OC(C)(C)C)C1 1467305056 FOOZGIYFXNHIJO-UHFFFAOYSA-N 448.976 4.534 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(Sc2ccccc2)ns1 1472507704 FTHNJPXBHNCINP-CYBMUJFWSA-N 440.978 4.664 30 10 IJEE C#CCN(C(=O)N[C@@H](CC1CC1)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1477932299 VRUQURWWYWRETD-QFIPXVFZSA-N 425.573 4.572 30 10 IJEE COC1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(F)(F)F)CC1 1504464766 ACXYLHFTNWQAIJ-UHFFFAOYSA-N 435.494 4.801 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507579225 PBCHMJIAAXYYGS-OAHLLOKOSA-N 441.295 4.900 30 10 IJEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1507590636 FFARRPVGLOQACG-UHFFFAOYSA-N 428.527 4.697 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccc(Cl)nc1 1507603591 CJTRRVRVLMGFBY-UHFFFAOYSA-N 434.956 4.543 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC1CC(OCC)C1 1507664191 PCJLSOQYSWOMHI-UHFFFAOYSA-N 432.612 4.911 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)N1CCCCC1 1507680701 HOPXUMSXDOCCRH-OAQYLSRUSA-N 437.975 4.878 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1507747155 BERIPXGAJOVOFY-UHFFFAOYSA-N 446.064 4.522 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccc(F)cc1)C1CC1 1507989725 FJOPNCGSIBNGOI-OAHLLOKOSA-N 427.911 4.755 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCSC(F)(F)F 1508006862 NSMPRNHBZBLTLR-UHFFFAOYSA-N 425.505 4.847 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC=CO1 1508010953 ITERTUBJDUMYBL-FQEVSTJZSA-N 440.544 4.943 30 10 IJEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1508162193 POKMTLCZPYUQIQ-MSOLQXFVSA-N 447.674 4.665 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1(C)C 1516374797 CBERWFAIUZFZGB-HMXCVIKNSA-N 439.629 4.600 30 10 IJEE N#Cc1cc(C(=O)N2CCCc3c(Br)ccc(Cl)c32)cnc1C(F)(F)F 1517566148 FZPWAGJNFLLUNO-UHFFFAOYSA-N 444.638 4.981 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 1517643060 FRTGFUSGPRKGGA-IBGZPJMESA-N 441.753 4.834 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 1520345698 NMGWCHOMHOLALA-OAQYLSRUSA-N 448.588 4.945 30 10 IJEE C=CC(C)(C)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 1525859524 OAJWRAGWQDMFNX-QPPBQGQZSA-N 436.552 4.517 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 1532830347 IFCAKLZJHMUELY-UHFFFAOYSA-N 446.400 4.872 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)c1ccc(C(F)(F)F)cc1 1534434213 LNZDKYXNTVQVJI-KSSFIOAISA-N 431.458 4.920 30 10 IJEE C#C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)c1ccc(Cl)cc1F 1535505018 QMKYZYQNNGRWJW-JOCHJYFZSA-N 434.902 4.977 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)C3CCCCC3)CC2=O)cc1 1536888982 CCIYOYAQUZNKNK-XUZZJYLKSA-N 449.982 4.872 30 10 IJEE Cc1cccc(Oc2ccccc2CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1537599842 FOLLZLZRSPAFPW-OAQYLSRUSA-N 429.495 4.941 30 10 IJEE C=C(C)c1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1 1539122046 SZCYPKABCRXYGX-UHFFFAOYSA-N 438.574 4.781 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[C@@H]1CC 1539251742 OOMYMEXVNHTDQM-UNMCSNQZSA-N 434.584 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCSCC 1539304837 HIXZDVRGCDAZCU-SFHVURJKSA-N 426.655 4.738 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(C)cc2)nnc1N1CC=C(COC)CC1 1539608936 HLPSKVXXSXUFSN-UHFFFAOYSA-N 449.418 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN1CC 1539649874 FDFKGAAGJODCEX-FCHUYYIVSA-N 425.621 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=C)Br 1539665618 BOMOOUYQKPRVMS-UHFFFAOYSA-N 428.334 4.911 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(Br)c1 1539668135 TWZHQXFRBCBYNS-IBGZPJMESA-N 449.393 4.742 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)S[C@H](C)C1)c1ccccc1 1539947523 KLDDAVLVZWTQJQ-TXTKFYIRSA-N 433.625 4.954 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C#N)c1 1539952753 IRNJWULICSYJHB-UHFFFAOYSA-N 439.361 4.900 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(Br)s1 1539975200 OKKXIJYWNOQHHG-OAHLLOKOSA-N 425.396 4.946 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccco1 1539985664 MUQXYPAZYKCREE-UHFFFAOYSA-N 431.334 4.912 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCc1nc(C(C)(C)C)cs1 1540083706 CQALVDFKWYATOE-UHFFFAOYSA-N 439.629 4.691 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)C(C)C 1540134434 RZIJOVWUNWREGC-HSZRJFAPSA-N 443.954 4.732 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](O)c1ccc(Cl)cc1F 1542729553 IRJDNJHVUVUYPA-QGZVFWFLSA-N 430.676 4.629 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(Br)cs1 1543010761 VUYUDBQHNBXCKW-HNNXBMFYSA-N 431.396 4.719 30 10 IJEE C=C(C)CCNC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 1556694102 SPYRTYOODWBBEP-UHFFFAOYSA-N 447.560 4.878 30 10 IJEE C#CC[C@@H](NCC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1 1559702416 QWLCIDRDEIACAE-FTJBHMTQSA-N 432.589 4.759 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 1561212290 MOHLDUHXJNMDCU-UHFFFAOYSA-N 426.519 4.650 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1562477047 PJPIOULKHGUGRY-KRWDZBQOSA-N 445.629 4.698 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc2oc(COC)nc2c1 1562929241 MNPTXKRDXCEYNI-UHFFFAOYSA-N 432.274 4.946 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](C)F 1569838861 CSKVNJQLCOCFQO-AOMKIAJQSA-N 444.934 4.901 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccccc2C)n1)[C@H](Cc1ccccc1)C(=O)OCC 1585016595 WQNDQAVDNXWFGG-JOCHJYFZSA-N 434.561 4.921 30 10 IJEE C=CCCC1(CNC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)CCCC1 1586149393 NEDOIWSYCIGMKL-UHFFFAOYSA-N 433.474 4.816 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1587837880 KKQPUKXJTSIHOQ-HXUWFJFHSA-N 444.366 4.582 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](SC)C(C)(C)C 1587936931 BWADIMJNXXRQRP-QGZVFWFLSA-N 435.435 4.863 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCC(F)(F)F 1588088852 BEEVJWAHFFDZHW-UHFFFAOYSA-N 439.485 4.768 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCO[C@H](C)C1 1589150667 INLGTLXCWOTSNS-DIVYTMEGSA-N 436.600 4.842 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](CC)C1 1589347168 HUVXTEWNWKDFPW-INIZCTEOSA-N 449.393 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2C)C1 1589547877 WQMMAQAVGQBYGY-SSPYTLHUSA-N 438.616 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)CN1CCCC1 1589641416 IZAAJKNGWMYSHI-UHFFFAOYSA-N 447.631 4.655 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccc(C)o1 1593711663 GNSFSMZITBAJST-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(OC)nc2)CC1 1594012983 AHDFKAMZHZZCBH-KRWDZBQOSA-N 439.947 4.680 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1594202182 GUCCXCRUTCCULI-QFIPXVFZSA-N 437.632 4.724 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCCC[C@@H]2C)CC1 1594430502 NGEKMHOXNQISCL-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1594534493 LKRNURVGEIWNJB-JOCHJYFZSA-N 434.588 4.613 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1594679559 GVXMFCWWBVKWPQ-UWJYYQICSA-N 426.492 4.694 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1cc(C)oc1C 1594857811 QOHWPHAXMQHREP-NBGIEHNGSA-N 438.572 4.775 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CSCCS1 1595116917 XMSCVEQMHCHMNP-WOJBJXKFSA-N 430.643 4.561 30 10 IJEE CN(CCC#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1597768569 ADUWLBYNZFXDMN-VWLOTQADSA-N 439.515 4.638 30 10 IJEE CCCCn1c(S[C@H]2CC[C@@H](C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1613122745 AXTNUCCDRWGDQO-MSOLQXFVSA-N 446.642 4.795 30 10 IJEE CN(C)c1ccc(/C=C2/S/C(=N/N=C/c3ccccc3O)N(Cc3ccco3)C2=O)cc1 1615301667 QEYGCXXBPHYFLB-WTGMLGSZSA-N 446.532 4.558 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N 1616592258 DKONQBFKJASBFY-LJQANCHMSA-N 448.489 4.716 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)C1 1617475218 BOSGVMNFKDXXGT-YSIASYRMSA-N 427.643 4.680 30 10 IJEE C=CCCC1(CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CCCC1 1617475283 SMCRDFWMOMPWHZ-UHFFFAOYSA-N 442.419 4.644 30 10 IJEE N#Cc1nc(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)ccc1Br 1626720473 BULCPOLRRDXPNN-KRWDZBQOSA-N 431.290 4.827 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccccc1Br 1631547354 DKCMKQCENQPZTO-YJBOKZPZSA-N 439.394 4.746 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 1631674006 DDIRIQQTNIILRD-UHFFFAOYSA-N 438.549 4.568 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 1633089678 SRHKFPGFTVBOAM-NQIIRXRSSA-N 434.422 4.848 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1636152457 QUPQHJANMGDRFO-UHFFFAOYSA-N 429.467 4.645 30 10 IJEE C=CCSc1ccccc1C(=O)NCCN=[S@](=O)(c1ccccc1)C(F)(F)F 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C=CCOc1ccc(Br)cc1NC(=O)NC1(c2noc(C)n2)CCCCC1 1670845540 QJCLZUDQOCZRTC-UHFFFAOYSA-N 435.322 4.686 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)cc1 1673638567 UWZJPVXQVWEZCQ-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccc(OC)cc1OC)CC1CCC1 1675014715 OFVRDPPNANBQNT-UHFFFAOYSA-N 426.488 4.689 30 10 IJEE C#CC[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccccc1 1675829683 JWWKGEWBCXYEMQ-BJKOFHAPSA-N 429.589 4.911 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C)c1ccc(Cl)cc1F 1683688372 BUJPEORVMWPVJD-OVCNXMPXSA-N 427.951 4.846 30 10 IJEE C=CCCC1(CNC(=O)N2CC[C@]3(CN(Cc4ccccc4)C[C@@H](C)O3)C2)CCCC1 1683985293 WXLWHIWSESMQMR-GJZUVCINSA-N 425.617 4.588 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 1684893694 GBHLKEWCLVBADI-NHCUHLMSSA-N 445.485 4.986 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1sccc1Br 1684970738 XWNWRFMJEQPMFH-UHFFFAOYSA-N 425.396 4.618 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1689830873 DFDMFCFUUGIXAX-VABKMULXSA-N 433.644 4.574 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1sccc1C 1690009227 YNPQKDMGEQYWPW-UHFFFAOYSA-N 429.376 4.937 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@@H](F)C1 1690095405 PPERSZYVOHLFJX-FGZHOGPDSA-N 449.574 4.577 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccccc1C 1690227538 BINGUAHKYOZHPF-PKOBYXMFSA-N 431.378 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)cc1 1690245152 DLAZIKCYTMRVKC-HKUYNNGSSA-N 431.378 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1cccc(C)c1 1690257954 ZOHIMJQRKWNEDN-UHFFFAOYSA-N 444.377 4.826 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1690306319 SZTCKRFTYGSJJV-FQEVSTJZSA-N 438.597 4.819 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1690350675 RPZZOSKNGDYPLO-CQSZACIVSA-N 441.409 4.976 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCCCC2)CC1 1690396729 KUVLFQCRJBQWHL-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C 1690424717 XVLRQIZCMCGPCZ-IRXDYDNUSA-N 430.618 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CC(C)C 1690432892 NRRYJMXNQBQTRX-UHFFFAOYSA-N 425.625 4.537 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COC)C1)c1ccccc1 1690441914 IVQMOWQCYBCSGU-RXVVDRJESA-N 437.975 4.826 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)CCc1ccc(Br)cc1 1690489153 ZFDLJFKLTMAXSX-UHFFFAOYSA-N 440.389 4.672 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@H]1C 1690500421 VFKXMSGXAOICNH-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccnc(OC2CCCC2)c1 1690532956 ZBBUUEKEMKKFCJ-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1Cc1cccc(-n2cncn2)c1 1690574410 ZCMVTELZYIXGBD-GOSISDBHSA-N 433.585 4.675 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN1CC 1690576341 WSJQZDQLTNQRPI-LJQANCHMSA-N 425.602 4.975 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCCCCC1)C(C)C 1690581703 WZSXGESOOXTHIT-DHIUTWEWSA-N 429.653 4.989 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1cnn2ccccc12 1690604504 VZNXHRMSKCQPJN-UHFFFAOYSA-N 428.584 4.798 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(CC)CC2)C1 1690690052 QFCZENDNOOIDKX-AWEZNQCLSA-N 437.407 4.741 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690749711 MTKVFXRDRIVDMD-OAQYLSRUSA-N 444.645 4.644 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1csc(CC)n1 1705479497 MFNIJVNHNNFLBL-OAHLLOKOSA-N 448.621 4.902 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OCC)cc1 1705576493 LRHNZIKMEOWAGW-IBGZPJMESA-N 444.604 4.651 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CCC(OC)CC1 1705606734 DLSILZHVKRYAKX-ZJRDLVKKSA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1705615960 OLZHBORLZPNRCQ-VWLOTQADSA-N 433.644 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1csc(CC)n1 1705720122 YBLDQDGRPLIEJX-UHFFFAOYSA-N 425.602 4.944 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1705765547 RBWYHLFDENQEEC-MSOLQXFVSA-N 445.405 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1705789056 XCCOKSZXBBSHRQ-UHFFFAOYSA-N 435.616 4.701 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1CCc1cnc2c(Cl)cnn2c1 1705797887 FZVBMZPYHYJNHG-UHFFFAOYSA-N 430.000 4.697 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705801035 QQVYMRKVMAYRHQ-UYAOXDASSA-N 444.645 4.872 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[C@H]2CC)C1 1705928645 GXSICGBLNKQHBX-HSALFYBXSA-N 428.552 4.604 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)=C(C)C1 1705940498 GYEYRMPBAPELQA-UHFFFAOYSA-N 436.423 4.512 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C)CC1 1707039973 CXKXRSBGEPEMDH-KSFYIVLOSA-N 431.943 4.930 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOc2cccc(Cl)c2)o1 1707360972 GCCHIXXZDPJAKJ-QFIPXVFZSA-N 425.920 4.709 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2CCc2cccs2)cc1C 1707515379 DVASSXSEYZXCRW-UHFFFAOYSA-N 448.596 4.582 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1)C(C)(C)C 1712748663 AOJJFNHTGXMUCL-FXAWDEMLSA-N 427.618 4.743 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](OC)C1 1722308110 GFOROOUUCKTMIL-UYAOXDASSA-N 430.980 4.717 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS[C@@H](CC)C1 1722327555 FVWPFPVBEUPHMW-NRFANRHFSA-N 436.581 4.862 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1ccsc1 1722387472 WOYVMAULBVGKTJ-UHFFFAOYSA-N 432.593 4.666 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccc(C)nc1 1722405240 KKBKNFQLEILYAE-UHFFFAOYSA-N 428.565 4.588 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cc(F)ccc1F 1722406163 VREDUNVDZLGMLQ-UHFFFAOYSA-N 437.313 4.555 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1=CCCCC1 1722407250 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CC(C)[C@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N 1741123929 CDXTYKBQZMWGIH-OEMYIYORSA-N 445.995 4.728 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)N1CCC[C@@H](C)C1 1743915402 DNVHMMXRLHTSMV-FUPPJEDESA-N 436.648 4.926 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](CC)O[C@H](C)C1 1748703775 ZKUOGPJNWHIBRW-WBVHZDCISA-N 449.368 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCO[C@H]1C(C)C 1748773642 ALPFWNKNWNPNFK-BEFAXECRSA-N 428.989 4.944 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(CC)CCOCC1 1748867860 NFZLREIQVPTJFY-QHCPKHFHSA-N 448.611 4.705 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC2(CCC2)C1 1749022514 CTXLSBGDRYDOJQ-UHFFFAOYSA-N 449.393 4.594 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)CCCc1ccccn1 1749024274 LKBPGCUAWCJZTK-UHFFFAOYSA-N 431.565 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@@H](c3ccccc3Cl)C2)nnc1C(C)(C)C 1749139438 FFQDMXUNCSMDOY-WMQCIHAUSA-N 445.007 4.788 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 1749139867 JPUXLAKHAGRILL-MZYLBHOOSA-N 440.588 4.534 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1749334991 IZRPZVMJHVDOLC-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749375669 GXUNVRGDKGWBRJ-PWRODBHTSA-N 445.007 4.832 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1749402994 UIDKJJXMLUOTKX-PZJWPPBQSA-N 430.980 4.760 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC(F)F)C1CC1 1749511501 JVNUQTUSGGEASB-UHFFFAOYSA-N 441.320 4.800 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](OC)C(F)(F)F)C1CC1 1749521349 LVUUTHKJPRNOLL-QGZVFWFLSA-N 428.886 4.645 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCC(C)CC1 1749590666 CUXXFONKNYGLLJ-CVCZCXRASA-N 442.604 4.943 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCC2(C)C)C1 1749719097 NQXWQYKMOFFKSK-RXVVDRJESA-N 428.552 4.604 30 10 IJEE CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1750694014 CKVGTFWDFKVBJV-FDDCHVKYSA-N 447.002 4.844 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC(C)C)C1CC1 1760162157 NHZKZGZFJOKQRP-UHFFFAOYSA-N 443.636 4.821 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C(C)(C)C 1760163184 OEXFHPWXFIOUGG-IEBWSBKVSA-N 432.996 4.819 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1760218149 YYEGOOCHXNCMBX-RUZDIDTESA-N 443.639 4.701 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1760306605 GQEAKBYQRUDVHR-KRWDZBQOSA-N 437.769 4.686 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(-n2cccn2)c1 1760330295 XWRZZUIRWYETLA-HSZRJFAPSA-N 441.583 4.851 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1760420785 WEYMWHNKEWLEIH-QHCPKHFHSA-N 444.627 4.591 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1760432502 NTOHQASHXSVQRC-SFHVURJKSA-N 428.577 4.810 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760434809 NJEYFRMIJASAHI-UHFFFAOYSA-N 447.986 4.787 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cc(C)no1)C1CC1 1760469811 PHBSPIBCWSXVJU-UHFFFAOYSA-N 428.334 4.516 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCOC[C@H]1C 1760487173 LEHZOFFGGQABLX-UYAOXDASSA-N 440.588 4.935 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC[C@H]1C 1760487514 WLKRRIPUXNONTO-NHCUHLMSSA-N 443.661 4.691 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(C(F)(F)F)CC2)cc1 1760530624 WMMMJJOQDYEACS-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(C)s2)C1 1760549467 FGPTZJIEYQJZJY-FQEVSTJZSA-N 438.597 4.673 30 10 IJEE Cc1ccsc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1761612084 HOFPHNZRRUIBJV-UHFFFAOYSA-N 448.640 4.740 30 10 IJEE CCCCOc1ccc(C=NN=C2NC(=O)[C@H](Cc3ccc(Cl)cc3)S2)cc1OC 1772742046 VZNLTTIPQXDYBZ-FQEVSTJZSA-N 445.972 4.692 30 10 IJEE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNc1ccccc1)CCC2 1772750729 IWWAOYPYHWOKHQ-UHFFFAOYSA-N 431.492 4.804 30 10 IJEE CCc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)cc1 1858839132 NRFBDJKKHVGLOI-INIZCTEOSA-N 429.480 4.566 30 10 IJEE N#Cc1ccccc1NC(=O)c1nn(-c2ccccn2)c(-c2cccc([N+](=O)[O-])c2)c1Cl 1859414789 YDTCGHSUQIGXMG-UHFFFAOYSA-N 444.838 4.620 30 10 IJEE N#Cc1c(NC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CCC2 1860799509 UWQQLGWYGNULDB-UHFFFAOYSA-N 442.547 4.871 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 1861190904 NROOCSNDVQJLHD-FPOVZHCZSA-N 436.040 4.533 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(Cc2ccc(F)cc2)n1 1862343804 JUIBTIXFBVBIST-UHFFFAOYSA-N 429.417 4.969 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1862382803 KQRFUDHABOGGGT-IBGZPJMESA-N 448.302 4.751 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862431385 GGZDPINJLORBND-QFIPXVFZSA-N 449.938 4.768 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(CC)CC)[C@@H]2c2ccccc2)cc1 1862534757 XQPPGPLUYQSISR-XMMPIXPASA-N 434.580 4.949 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1862751909 SSXIMOWBANCVBN-IBGZPJMESA-N 426.856 4.769 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3Cl)C2=O)cc1 1862964781 GGUIKGWRESYYKK-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(C[C@H](C)O)C1=O 1863684513 FSSPNASHHIDLPG-FQEVSTJZSA-N 444.616 4.666 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(F)c(F)c2F)cc1 1870148992 FPTVAQRSNYQXEO-UHFFFAOYSA-N 433.393 4.784 30 10 IJEE CCCCOc1cn(Cc2ccncc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870182880 VCQVBAFRMJVVLY-UHFFFAOYSA-N 448.592 4.955 30 10 IJEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(Br)cc2C)cc1=O 1870809652 OFWMCMRYAUVMMR-UHFFFAOYSA-N 440.341 4.539 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1870814129 XMZQVXLPXPJDIG-UHFFFAOYSA-N 434.536 4.958 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870861537 HQNYTPDXQQPAEZ-UHFFFAOYSA-N 440.927 4.896 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3O/C(=C\c3ccco3)C4=O)CC2)c1 1871397800 PTBFISLCSDVIJB-HAHDFKILSA-N 430.504 4.540 30 10 IJEE CC(C)CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871429510 QORRAGXTMFGESN-BKUYFWCQSA-N 425.437 4.569 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1871789657 FDTHBOOPVDVKLF-SFHVURJKSA-N 426.991 4.550 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H](C)CC)S(=O)(=O)C1CC1 1871959933 WBCVPTOCKWOHGY-FZKQIMNGSA-N 433.401 4.717 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872046308 RAPVNAYRNUKDPS-AUSIDOKSSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(OC)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872308924 PBBIAVNEUGPHCP-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c(OC)c1OC 1872787940 BIYARRGCWURXBA-GOSISDBHSA-N 436.533 4.872 30 10 IJEE Cc1c(CCC(=O)Nc2ccccc2C(F)(F)F)c(=O)n2c([nH]c3ccccc32)c1C#N 1873943090 DFNWXUCXRVBHQX-UHFFFAOYSA-N 438.409 4.551 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874254920 VVWSHMFHNCJYBI-WSDLNYQXSA-N 425.514 4.685 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874297272 SJDILWMPMPRHJO-BUVRLJJBSA-N 445.504 4.657 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874303949 ZMZFSGXWOQNDSK-YZSQISJMSA-N 429.549 4.837 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874349642 WUVAUIUARNHUAG-ZVHZXABRSA-N 438.553 4.532 30 10 IJEE CCCNC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C(C)C)cc1 1874421506 OWXOBZKJONOTMR-YDZHTSKRSA-N 427.599 4.631 30 10 IJEE CCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)c1 1874445196 AYISPBJMFUCTMB-PGLVWIQMSA-N 426.517 4.842 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cccc(F)c1 1874504172 JVKCYQWTTIIDBA-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1sccc1C 1874507222 RRTNBTBSQAGRGB-LPYMAVHISA-N 427.599 4.776 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(=O)OC)cc1 1874509491 FPASDEKVZOUMQV-WYMPLXKRSA-N 446.935 4.984 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCC(=O)OCC(C)C 1874577093 VXVRMMIHFYSXPM-MDZDMXLPSA-N 432.900 4.831 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874625675 QMAYBQMRMMBXSG-QKAYDNCFSA-N 433.479 4.987 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3c(OC)cccc3OC)c2)cc1 1874696793 MCAPEQQQTNHHMG-RIYZIHGNSA-N 448.471 4.836 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cnccn3)c(OC)c2)cc1 1875106721 IAFRMVUFVGXZQE-FMIVXFBMSA-N 446.503 4.952 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1[N+](=O)[O-] 1875130441 GZVWDTAIAJUWMP-MDWZMJQESA-N 427.453 4.994 30 10 IJEE C=C([C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[Si](C)(C)C 1923027270 OMYKWHPVAYQFAP-QFIPXVFZSA-N 445.724 4.958 30 10 IJEE N#Cc1ccc(C(=O)Nc2cc(Br)c(Br)c(Br)c2)o1 1963527040 MVQIYBWEDPJTGY-UHFFFAOYSA-N 448.896 4.691 30 10 IJEE C#C[C@H](C1CC1)N(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1993836600 VSESWLNCWIKMHB-IAIFEWERSA-N 444.575 4.810 30 10 IJEE C=CCc1cc(C=C2SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(OCC)c1O 2053496728 ITDDQRQPOTYRBB-UHFFFAOYSA-N 441.530 4.623 30 10 IJEE C=C(COC)[C@H](NC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071351818 SLHJOHBOZNJUDB-SVBPBHIXSA-N 433.548 4.669 30 10 IJEE CCc1nn(-c2cc(C(F)(F)F)cc(F)n2)c(C(F)(F)F)c1C(=O)OC(C)(C)C 2079234854 ICFGJNJFTZDIKJ-UHFFFAOYSA-N 427.320 4.962 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079943901 IUWRICSYIAAUAY-AWEZNQCLSA-N 432.240 4.789 30 10 IJEE N#Cc1c(C2CCOCC2)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1Br 2080341113 PDPISEURJBEQIH-UHFFFAOYSA-N 432.215 4.617 30 10 IJEE C[C@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@@H](C)CN1C(=O)OC(C)(C)C 2118201430 QAEJMBVMOROOAR-OLZOCXBDSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N(CCC#N)CC2CCC2)ccc1Br 2181053779 PECDNMFQNGDZCG-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCCC1 2181115665 WIJMDLOBAPLGPF-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)c(CC)nn1C 2192405865 UUWWODBOTCYQQT-NVXWUHKLSA-N 443.430 4.645 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2201014199 KUGWSZCSBVKJKR-OALUTQOASA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2215218111 OAOJISOWWYFQJE-HSZRJFAPSA-N 431.508 4.860 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)cc1Br 2221902686 LWIRKFILKBSXHK-CQSZACIVSA-N 431.396 4.637 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@@H](N)C#Cc3ccccc3Br)C2)C1 2235727985 LCCZKHIEWGPDHE-OZWAEMERSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@H](O)C#Cc1ccccc1Br 2235741311 SUVFKKVLGGAMRQ-VQTJNVASSA-N 428.326 4.528 30 10 IJEE CC1(C)OB(c2ccc(Cl)cc2C(=O)N(Cc2ccccc2)C2CCC2)OC1(C)C 2247843987 UXBNXKCTMLSEDV-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@@H](O)C#CC2CCCCC2)C1 2251469089 UIOIVTSCRJPNCT-JYFHCDHNSA-N 427.585 4.775 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCC2(CC2)N(C(=O)OC(C)(C)C)C1 2262203211 CUXUZEXIWHGUSF-RUZDIDTESA-N 445.556 4.553 30 10 IJEE CC1(C)OB(c2nscc2C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C 2282617281 FOHLXORGXUPUMV-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@@H](O)C#Cc2ccccc2Br)CC1 2283130626 BFELPQOVQJPYKG-LJQANCHMSA-N 436.390 4.979 30 10 IJEE NCCO[C@]1(C#Cc2cccc(Br)c2)CCCC[C@H]1OCc1ccccc1 2296274022 RSYCMNLGEXMIKV-PKTZIBPZSA-N 428.370 4.674 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](N)C#Cc3cccc(Br)c3)C[C@@H]21 2296288438 HCZBSASKJLQASN-XEYPJELSSA-N 433.390 4.554 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2296306413 GYVKSRJYOCJTBE-MOPGFXCFSA-N 433.390 4.711 30 10 IJEE CCCCCCCN1C(=O)C(=Cc2c(NCCC)nc3ccccn3c2=O)SC1=S 2296718550 VEPUGGWVOBMACR-UHFFFAOYSA-N 444.626 4.688 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCCC12CN(C(=O)OC(C)(C)C)C2 2305402986 KPDCYVCQMSDLBT-RUZDIDTESA-N 428.573 4.699 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1 2322457354 JXMPROAZTINJSN-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2324234584 RFMLDLNBVHUACE-UHFFFAOYSA-N 439.552 4.802 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1 2324982697 IGOYEYAJGKTUNK-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2325005365 KQSUCLVVXAQBBA-UHFFFAOYSA-N 428.488 4.895 30 10 IJEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2325610306 ZIGALMVJHUCWSO-UHFFFAOYSA-N 446.960 4.694 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2N=Cc2c[nH]c3ccccc23)cc1 2327395475 UFTHOHWEOSREAX-UHFFFAOYSA-N 449.580 4.648 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327571117 POAVMKPUUWVABM-UHFFFAOYSA-N 447.904 4.509 30 10 IJEE Cc1ccsc1C=Nn1c(CCc2ccccc2)nnc1SCC(=O)OCC(C)C 2330210075 AILPEGWKIOKQAS-UHFFFAOYSA-N 442.610 4.607 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccc[nH]2)c1C 2330534831 OTXPIFMFPPYZAS-UHFFFAOYSA-N 436.566 4.565 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cnc(C)cn1 2330705015 JHVJPSYHXWNBNJ-UHFFFAOYSA-N 428.488 4.788 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c(OC)c1 2331123685 GEMMYZGYSDBEDG-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1cc(Cl)ccc1O 2331334817 MQIOKHOCYJAKIY-UHFFFAOYSA-N 448.932 4.534 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1cccc(OCC)c1 2331344842 RACIKWJXKKEWJT-UHFFFAOYSA-N 445.633 4.642 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccccc2F)nnc1C(C)(C)C 2331362864 WBFVPLLKUPCDRX-UHFFFAOYSA-N 431.562 4.698 30 10 IJEE CCCCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc(F)c2)cc1 2331563346 HCDUMWATJJAPHE-UHFFFAOYSA-N 428.533 4.917 30 10 IJEE CCOc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Cc3ccccc3)cc2)cc1 2332190452 PAXMHLABDTYJGK-UHFFFAOYSA-N 449.514 4.780 30 10 IJEE N#Cc1cc(Br)cnc1OCc1c(Br)cccc1Br 2340631909 VDIXZQIAMKTNMB-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE Cc1cc(CN[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649527 JEVAYWBRGIDEGR-BJKOFHAPSA-N 435.417 4.768 30 10 IJEE CC#CCN(C[C@H](Cc1cc(Br)ccc1C)NCCC)C(=O)OC(C)(C)C 2363133053 PLPWTOMTWQXDRW-FQEVSTJZSA-N 437.422 4.929 30 10 IJEE CN[C@@H](C#C[C@@H]1CC1(C)C)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2365083202 OPWUPYYULQEVMG-NEWSRXKRSA-N 435.406 4.522 30 10 IJEE Cc1cccc(N/C=C2/C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c1 20575842 DZXRWIGKHJHMBM-UNOMPAQXSA-N 428.510 4.682 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccc(OC)cc2)c1C 32971766 DDHKFUGFSLLWDR-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE CCCCSc1nnc2c(n1)O[C@H](c1ccccc1C#N)N(C(C)=O)c1ccccc1-2 32997162 SYFRJHCCTLNIIK-JOCHJYFZSA-N 431.521 4.747 30 10 IJEE C=CCc1ccccc1OCCn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 40202393 STVFZEXBENCCIV-UHFFFAOYSA-N 439.559 4.745 30 10 IJEE C=C(Br)Cn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21 40280714 OIQBRPVNWIKWPD-UHFFFAOYSA-N 449.146 4.637 30 10 IJEE Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)Nc1ccc(C#N)cc1 46141394 PXMMWAXWIOTFBW-UHFFFAOYSA-N 440.481 4.585 30 10 IJEE CN(c1nc2ccccc2n1Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95074405 RLWYFCOWHBCPQZ-NRFANRHFSA-N 445.567 4.792 30 10 IJEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 103102789 NQHZVVLRZIODJZ-GOBJLOIFSA-N 434.517 4.785 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2C)cc1 169926335 SVCGHTCZFOFLNV-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1OC 169951399 PQXTUKPUSKPANI-HXUWFJFHSA-N 441.911 4.878 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccnc2)cc1 170006614 ZNYXRZAYZQCMAN-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccnc1)c1c[nH]c2ccccc12 170011948 QGWHRNCHDOPNAB-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)c1 170019478 NHPNVAKXHBKTJU-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)c1 170055253 MMSYOGGXBPPRFN-QHCPKHFHSA-N 431.463 4.655 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccc(Cl)cc1 170060318 ISXFYTQHKYHBGB-QFIPXVFZSA-N 440.971 4.877 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccco2)c1 170098458 OXKWOENFJRYNDH-NRFANRHFSA-N 427.460 4.864 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2)cc1 170113667 JDHDTRRIVKBYME-FYSMJZIKSA-N 441.483 4.802 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(N(C)C)cc2)cc1C 170129340 NTAWLTNIXIZUKJ-HSZRJFAPSA-N 436.552 4.838 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)cc1C 170130418 JQPBVLDGNQAGOO-QFIPXVFZSA-N 449.528 4.939 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(N(CC)CC)cc1 170138626 BDHTVNXFUHSQDD-HSZRJFAPSA-N 436.552 4.838 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170150090 HKOZNCIGYSFLOA-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)c(C)c1 170171908 FVWMJNFTJSOVBT-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE Cc1sc(C2=C(N)N(Cc3cccc(C(F)(F)F)c3)CC2=O)nc1-c1ccccc1 170181109 NUPBYPFXIUDZOW-UHFFFAOYSA-N 429.467 4.850 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 170231127 BKZIPCOYYOTWIL-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)cc1 170239259 MFITXOFWNWARNH-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2CCCOC)cc1 170266942 MXTNYECUDLXWJL-OAQYLSRUSA-N 443.927 4.526 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccco1 170287115 ONZWCUPYYMPJEG-IBGZPJMESA-N 427.815 4.864 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(C)o2)c1 170300022 HHMHIMJNRFERLG-NRFANRHFSA-N 432.432 4.896 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2sccc2C)cc1C 170317299 UJYYAPYSZDDWEV-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE Cc1nnc(O)nc1NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 254340907 LAWQXQCFQPXNQC-UHFFFAOYSA-N 447.502 4.851 30 10 IJEE COCCN=c1scc(-c2ccc(Br)cc2)n1N=Cc1ccc(F)cc1 263629057 QZVNYTZHPHWZKR-UHFFFAOYSA-N 434.334 4.548 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(F)cc1C(=O)OC 489612885 FKXKIJYKONOURX-UHFFFAOYSA-N 427.501 4.570 30 10 IJEE N#CCCCOc1cccc(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 501714580 KSOWDOVJCBFFJT-NRFANRHFSA-N 435.572 4.601 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(C)c2)c(OC)c1 526521918 OJJWZUDJPALWFO-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE O=C(O)c1ccccc1/C=N\n1c(CCc2ccccc2)nnc1SCc1ccccc1 526800150 ODGUNTNLBBKMRF-ONUIUJJFSA-N 442.544 4.936 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](Nc2ccccc2)C1 558983050 NHPZMWXLSYQMAB-FQEVSTJZSA-N 433.556 4.619 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 610304598 MHPUYSHGBGQIEV-HSZRJFAPSA-N 440.478 4.937 30 10 IJEE C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1 685532694 LQFVPUORKLWEHG-AREMUKBSSA-N 430.552 4.717 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 727254003 PKURCOUVEHVDBW-UHFFFAOYSA-N 448.361 4.918 30 10 IJEE C=CCOc1ccc(C=Nn2c(S)nnc2COc2c(Cl)cccc2Cl)cc1 730583789 KYEJHADJYDBHCO-UHFFFAOYSA-N 435.336 4.900 30 10 IJEE N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccccc1Br 735320298 QBKBZEYFFDZSLT-UHFFFAOYSA-N 425.735 4.877 30 10 IJEE C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(N2CCCC2=O)cc1 740037054 ATWIKMSAMGUUGR-KRWDZBQOSA-N 444.560 4.974 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/[C@@H](C)c1cccs1 742213642 LKFKNWVKELBVQL-PJTSVVBSSA-N 443.569 4.690 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 745229250 ILYAJNSMYQNALB-UKPHBRMFSA-N 430.476 4.502 30 10 IJEE COc1ccc(CNC(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)cc1C#N 747316120 RZYXRUYEEWRKMT-UHFFFAOYSA-N 443.482 4.890 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cc(O)nc2c(Br)cccc12 750572720 LIQBAOLIRXJREN-UHFFFAOYSA-N 447.672 4.616 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 761036674 JYVOXEKPNHZLNQ-IBGZPJMESA-N 445.441 4.750 30 10 IJEE N#C[C@@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1nccc2ccccc12 792101686 BXKROCVPRQMCOQ-INIZCTEOSA-N 446.557 4.543 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1OC 916445820 UALBDOZGZZBVSJ-XGICHPGQSA-N 434.467 4.916 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1124173359 VPXKCEHSTJZAEG-JOCHJYFZSA-N 426.582 4.858 30 10 IJEE N#C[C@H]1CN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CCN1Cc1ccccc1 1126036202 COYPFDYZQUISRX-SFHVURJKSA-N 439.437 4.816 30 10 IJEE Cc1oc(-c2ccco2)nc1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1128824523 IFZAFGCTMRCJEN-UHFFFAOYSA-N 429.480 4.779 30 10 IJEE C#CCOc1ccc(C(=O)N[C@@H]2CC3(CCC3)Oc3ccc(Br)cc32)cc1 1133740869 HPNHFLRVRXMBNW-LJQANCHMSA-N 426.310 4.637 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(F)c(C(=O)OC)c2Cl)CCCN1C(=O)OC(C)(C)C 1133756801 SFSHGAFVSDLLDB-NRFANRHFSA-N 440.899 4.550 30 10 IJEE CCN(CC)Cc1ccccc1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1135737694 BCDPZIYIFIUBSG-UHFFFAOYSA-N 427.548 4.909 30 10 IJEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)C(C)(C)C 1141644454 QJWRYPSCULBWCO-GOSISDBHSA-N 439.364 4.572 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cnn(C)c1)c1ccc(C)cc1 1154729055 YUNIUALQIRIFFT-NRFANRHFSA-N 426.561 4.511 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3c(F)cccc3F)cc21 1157639452 DJALBIYRTKVFAF-HXUWFJFHSA-N 442.466 4.705 30 10 IJEE C#CCN1CCC[C@H](NC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)C1 1177758916 IMBCYRUCBADFCI-QFIPXVFZSA-N 430.573 4.822 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1 1189025468 UOJJTNROUCVDDZ-UHFFFAOYSA-N 444.900 4.772 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](CO)C3CCCCC3)cc2F)c1 1199686409 CDLKXVNKFWTTOS-HXUWFJFHSA-N 425.504 4.587 30 10 IJEE C[C@@]1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCCC[C@H]1O 1199731199 BOXRIARENRDCMD-GGAORHGYSA-N 427.932 4.853 30 10 IJEE N#Cc1ccc(Br)c(CN2CC(Cc3ccccc3OC(F)(F)F)C2)c1 1206179853 BAENQBGVULMWBZ-UHFFFAOYSA-N 425.248 4.894 30 10 IJEE CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)Cc1cc(Cl)ccc1Br 1208631365 BBKFSSAFQUBXFL-UHFFFAOYSA-N 441.778 4.967 30 10 IJEE C=CCN(CC=C)[C@H](CNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)C(C)C 1211530719 JFHQMRBTOWUTHS-LJQANCHMSA-N 435.659 4.571 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 1215272960 BRBRHSFRZUUROW-XTEPFMGCSA-N 439.559 4.878 30 10 IJEE C#C[C@@H](NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1252478709 FDHFGJOUVGFWGU-WMZHIEFXSA-N 427.951 4.707 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@H]2C)c1 1265428305 LXIFMIHEKYJJEG-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@@H](C)C1 1286301497 LUXHYYURJIAAJT-IXDOHACOSA-N 431.378 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@H](C)C1 1286301499 LUXHYYURJIAAJT-YESZJQIVSA-N 431.378 4.514 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(F)(F)F 1286551815 NMURFDKEHFTHJJ-XLIONFOSSA-N 445.489 4.863 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCOC(C)(C)C 1286555158 WPPOSKKEADEIKQ-QUCCMNQESA-N 432.996 4.831 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1scnc1C 1286560532 FYIAGMKLVUNCID-OXQOHEQNSA-N 444.004 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CCc1cc(Br)ccc1F 1286570803 ALUQQPGQWARSQG-UHFFFAOYSA-N 446.368 4.830 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](c2ccco2)C1 1286600583 ORGUHXCGHDVJEQ-OALUTQOASA-N 440.519 4.737 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1286665010 OTFCEBTUIWTTAP-DEOSSOPVSA-N 429.008 4.974 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1286690041 BJVAGPDFHLGEEG-JOCHJYFZSA-N 436.579 4.704 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286708761 YNYUZVKYEFZBGY-YTFSRNRJSA-N 438.616 4.554 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1286749157 LTQCINKPRFPBKV-UHFFFAOYSA-N 447.612 4.954 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C 1286750432 AJXRNHJCJUSGCD-JTHBVZDNSA-N 437.632 4.647 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](n3nc(C)cc3C)C2)nnc1C(C)(C)C 1286799576 XNLSPCYNYYJPAL-JOCHJYFZSA-N 448.615 4.844 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H]2c2ccc(I)cc2)cc1 1295855686 IQNBTUJEFMKGPL-FQEVSTJZSA-N 445.300 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](C)c1ccc(OC)cc1 1300327357 BWSRZOJCIFNYPP-BZRIBIQUSA-N 438.616 4.857 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc(C(C)(C)C)n1 1300330545 ZCHAKCGEMARXMJ-BHIYHBOVSA-N 443.661 4.651 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)C1CCCCC1 1300441404 NGMSNNVHULLPHP-XMMPIXPASA-N 426.630 4.676 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H](OC(C)C)c1ccccc1OC 1300581883 ZWYNDHDNDHDFMC-XMMPIXPASA-N 434.584 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)c1ccsc1 1300606193 IOEOJFOKZOFPIK-QMHKHESXSA-N 440.638 4.560 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC2(CCC2)C[C@H]1CC 1300741239 QKBCJBRMIIOEIM-MRXNPFEDSA-N 448.434 4.561 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1300743622 WCBNZPANFATRGX-HXOBKFHXSA-N 439.654 4.628 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC=C(C)C1 1300873254 FFLNYACLTVMCFO-UTKZUKDTSA-N 428.964 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ccccn1 1300898331 XJSVMIUUPUHHEU-RDPSFJRHSA-N 449.624 4.891 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)C(=O)NCC 1300904703 FBWFTGVMJJCKRP-UHFFFAOYSA-N 443.661 4.840 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccc(Cl)nc2)CC1 1301134703 MXRDOSDNBQMJAU-UHFFFAOYSA-N 437.975 4.919 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1301134751 OCKWHHAKQNSKSG-NBGIEHNGSA-N 426.605 4.673 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1301203603 XKTWKKIGXIDKCJ-SJORKVTESA-N 432.410 4.593 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)[C@H](C)CC)C1CC1 1301317360 QQPCQHUWLWDMKN-HIFRSBDPSA-N 439.423 4.985 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)Cc1cccs1 1301340677 BLGXJFFEQFWTRD-HXUWFJFHSA-N 449.624 4.647 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1CCO[C@@H]1C(C)C 1301365442 PNNLEICBGGNBIK-AUSIDOKSSA-N 437.613 4.579 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC)n1CCc1cc(C(F)(F)F)ccn1 1301403557 ZYXLFKMWYAHWAE-UHFFFAOYSA-N 429.490 4.732 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCCC2(F)F)C1 1301557587 VICZKHUXSPCQFX-RBUKOAKNSA-N 434.506 4.615 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(CC(C)C)C2)C1 1305864405 CNBQJZUSARNDBJ-NVQXNPDNSA-N 434.632 4.811 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C(F)(F)F)cc1 1309336229 YHYUSGONMLLOHD-KRWDZBQOSA-N 428.432 4.908 30 10 IJEE C=CCC1(CNC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)CCCC1 1312689094 RHDGNMAEBOANRE-SFHVURJKSA-N 425.342 4.808 30 10 IJEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCC2CCC(OC)CC2)c1 1315556529 BMFJJPVOUSGRGF-UHFFFAOYSA-N 437.588 4.679 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 1352064643 XNRRHWMIYNUUFW-UHFFFAOYSA-N 435.882 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCCc1ccnc(C(C)(C)C)n1 1358878374 VPZMXMYQMITQHA-GOSISDBHSA-N 442.567 4.870 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCCC[C@@H]1C 1358886626 HPMVXSOLDKEIPX-RTWAWAEBSA-N 446.599 4.713 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)(COC)CC1 1358904543 GPHHGGSEARVTQG-IBGZPJMESA-N 428.552 4.614 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C)(C#N)CC1 1358923312 JSJREBPEJLYQGZ-UHFFFAOYSA-N 429.524 4.661 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1358953620 COYGQLVYTKOPLO-QGZVFWFLSA-N 434.556 4.864 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1358953639 DDEGJBITKUFDCK-JKSUJKDBSA-N 438.519 4.942 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CC=CCO1 1358988083 BTKOWGTYMOFNBB-OAQYLSRUSA-N 446.551 4.621 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@H]1C(C)C 1359002303 VENIJPACQSBRIN-RTWAWAEBSA-N 449.624 4.898 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCC[C@@H]1CCCCO1 1359063713 BKSKZUFOJVPPNJ-ZYLNGJIFSA-N 440.563 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCCCOc1ccc(F)cc1 1359070031 CZNCRLKFAMQPCF-XUZZJYLKSA-N 426.536 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1359103686 RFTKKOYRGRWPGA-YKSBVNFPSA-N 442.579 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@](C)(O)C1CCCCC1 1359108394 MHMVERHEZDJQNM-VWLOTQADSA-N 442.604 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H]1CCO[C@H](C)C1 1359109633 JCQSXXAXCAEZNE-MOPGFXCFSA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](C)C1 1359129159 SVIZZVZGTRTKBF-FQEVSTJZSA-N 436.556 4.946 30 10 IJEE C=C(Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1359140909 QBNJZOIRYWYTKK-IBVKSMDESA-N 438.616 4.905 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1359147308 BNNHJKUUQPJJMF-INIZCTEOSA-N 449.958 4.578 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1359167295 AYDNZCFFTSLFET-VWLOTQADSA-N 435.660 4.978 30 10 IJEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359229060 XGNSDVBTMVPTPE-KNQAVFIVSA-N 449.426 4.676 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nc(C(C)C)cs1)C1CC1 1359253440 GDRSOODVYGELAK-YLJYHZDGSA-N 429.634 4.980 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCC(F)(F)C1 1359278902 KYULFTZVETYQPO-LJQANCHMSA-N 430.543 4.822 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C)c2ccc(OC)cc2)C1 1359320022 KRBXAQDCYHLPLX-PMOQBDJRSA-N 440.588 4.503 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCC2CC2)CC1 1359337982 HYJQTRKQQCLXBR-UHFFFAOYSA-N 433.021 4.913 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](C)CC)c1 1360259549 PHHQUGGJCZGVPP-KRWDZBQOSA-N 434.989 4.839 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(I)c(F)c2)cc1 1435910849 XXAATHHOKIWUQS-UHFFFAOYSA-N 426.250 4.513 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1CC)c1ccc(Br)cc1 1436651691 RZJQISOPGFDRAE-LJQANCHMSA-N 442.744 4.955 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 1438146234 HCHSVBCBNJYCBI-LSSWGTAKSA-N 440.543 4.888 30 10 IJEE C#CCC1(NC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)CCCCC1 1465671328 DEZCWLNPVKZUKQ-UHFFFAOYSA-N 434.256 4.633 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1Oc1ccccc1 1467366314 FGAGDDFONSTJTC-NRSPTQNISA-N 435.442 4.625 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1470787643 YIIQLVCGZJCFRF-GCJKJVERSA-N 427.589 4.914 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCCS(=O)(=O)C[C@H]1c1ccccc1)c1ccccc1 1471203781 PNNIWXBQIDGWPL-GOTSBHOMSA-N 426.582 4.655 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c3cccnc23)nnc1-c1ccccc1F 1472935026 VZFLQNHAHYMXMS-UHFFFAOYSA-N 434.496 4.897 30 10 IJEE Cc1ccc(CN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H]2CCc3ccccc32)cc1 1473267039 HZEMVEGXMNPWRC-LEAFIULHSA-N 426.560 4.991 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CC(N)=O)C3CCCCC3)cc2Cl)cc1 1476017143 FYQBFBQIBNGFSE-FQEVSTJZSA-N 440.931 4.950 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c1 1476104368 RNXLMFUYADUBTA-TZIWHRDSSA-N 429.561 4.896 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(C(F)(F)F)cc1 1478273154 STNVFJMZBWBQJO-PMACEKPBSA-N 437.506 4.946 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CC)Cc1cn(C)c2ccccc12)c1ccc(Br)cc1 1478895847 GYPXRQBLTKXIPE-CTNGQTDRSA-N 438.369 4.936 30 10 IJEE C[C@H]1C[C@H]1n1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(C#N)cc1 1493365074 DINSPLTTYFFWIG-SWLSCSKDSA-N 428.359 4.858 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)C[C@@H]1C 1493919372 BZDXTDSZPRTJEX-LQWHRVPQSA-N 434.613 4.663 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C[C@H](C)O1 1499696044 DMCOFBHHLYVUCR-FXAWDEMLSA-N 435.597 4.860 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(OC(C)(C)C)nc1 1507543412 PPGHFAKDUUBTHJ-HXUWFJFHSA-N 447.583 4.552 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C 1507549092 YAPOKRGHHSHOML-FXAWDEMLSA-N 446.064 4.802 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1507787432 DKWSQPROGOBXKJ-IFXJQAMLSA-N 431.378 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507800204 MIGVGYFGVMOLRV-UTKZUKDTSA-N 443.954 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1=CCCOC1 1507813896 DFHRYPHBWRZMTL-UHFFFAOYSA-N 431.378 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCc1nc(C)cs1 1507818719 WUQPHXKKZXGUCI-UHFFFAOYSA-N 439.585 4.864 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1507967742 NDLKVETXKARQCA-PTUXOGIPSA-N 440.588 4.709 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCC1(OC)CCC1)C1CC1 1507988540 UGVUKRMHBQKBMU-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1508017905 JLOBQDONEIBESK-OYRHEFFESA-N 432.616 4.973 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CC(F)(F)C1 1508036393 BLGOQJPLGYIKGP-HNNXBMFYSA-N 436.572 4.816 30 10 IJEE C#C[C@@H](C)N(C)C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1519871741 ZNJNOWCNFZAYSG-OAHLLOKOSA-N 431.483 4.676 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c1 1523499285 UMSNJYWTSZBQHX-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE C=CCC[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O)c1ccccc1 1524035813 VTSHQIWSWLWOGI-LEHARJQJSA-N 434.561 4.898 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1 1525997656 KQFGSXXNOKYPGP-UHFFFAOYSA-N 433.511 4.902 30 10 IJEE C#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)c1ccc(Cl)cc1F 1528107905 GPLAQYPNJNJQAS-HXUWFJFHSA-N 429.879 4.728 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCN(C)C(=O)OCc2ccccc2)c1 1528207144 KQZQQEXPQPINGP-UHFFFAOYSA-N 426.516 4.860 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3)c2)cc1 1530544440 FZTNQHMEAROVFP-UHFFFAOYSA-N 428.423 4.611 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)C(F)(F)F 1533315475 CUDZNGDEGKISHD-NRFANRHFSA-N 442.441 4.887 30 10 IJEE C=CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)c1ccccc1 1534268582 NBIDJXODKNWRCV-NJGKLKBPSA-N 439.581 4.578 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCCC)CC1 1539056319 XUICGQJDMDRUKE-UHFFFAOYSA-N 442.007 4.535 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(Cl)ccc1I)c1ccccc1 1539185342 CCDIAYHWRKTHEC-JOCHJYFZSA-N 445.709 4.798 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 1539194308 XACREGPZSHFKEB-AHWVRZQESA-N 436.600 4.564 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1539595945 HPGPEFMKIVCTJQ-MJGOQNOKSA-N 449.368 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCOc1ncccc1F 1539658800 BKHAQZPOHVKTPA-UHFFFAOYSA-N 433.890 4.753 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 1539691118 ITYICOMDVGCTCL-CHWSQXEVSA-N 425.758 4.551 30 10 IJEE C=C(Cl)Cn1c(N(Cc2cccc(F)c2)C(C)C)nnc1[C@]1(OC(C)C)CCOC1 1539819455 FJKNWRXASMRHNE-QFIPXVFZSA-N 436.959 4.625 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 1539860005 ZXIWFZIEIQATLQ-MOPGFXCFSA-N 428.602 4.551 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@H](OCC)C(C)C)CC1 1539885047 VCZCQXUCTRFDGP-DEOSSOPVSA-N 448.615 4.984 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(OCC)CCCC2)CC1 1539896063 GNRQJZFQAGXBMZ-NHCUHLMSSA-N 430.637 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)OC(C)(C)C1 1539906506 PQBMOJDLCRMJLN-SFHVURJKSA-N 434.588 4.941 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cscc1C(F)(F)F 1539945525 PDWTVCAKWIVNMM-MRXNPFEDSA-N 441.523 4.540 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1539982819 RSDMMZMPIIXKAF-QUCCMNQESA-N 428.552 4.655 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1539997924 XCSUSWYPRQHZQA-NRFANRHFSA-N 425.964 4.843 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COCc1ccccc1 1540092569 MVBAUOUGHFBXMU-CEMLEFRQSA-N 426.605 4.672 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC[C@H]1CCO[C@H](C)C1 1540133064 BEGNGWBYQYFILD-UXHICEINSA-N 435.547 4.877 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@]1(C)CCCO1 1540147242 OGTJPFBJQGLBFA-HSZRJFAPSA-N 426.561 4.831 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@]2(CC=CCC2)C1 1540857755 PNUGYGBAAIEERS-RUZDIDTESA-N 441.620 4.905 30 10 IJEE C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1542531984 XFLGEYRICPBOKJ-WIYYLYMNSA-N 439.408 4.598 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC[C@H]1C 1547999041 BEWKHAZNAVOILD-CTNGQTDRSA-N 437.588 4.822 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)CCCCC1 1554713400 BKQHZVIUFYQTDZ-UHFFFAOYSA-N 447.505 4.945 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(F)c(F)c1 1556261313 HCFUNDDFQLXDBJ-JOCHJYFZSA-N 442.487 4.813 30 10 IJEE C=C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)C[C@H](C)C2 1557622557 NKEFFKQXZNJUKX-APIVKLOHSA-N 441.575 4.700 30 10 IJEE C=CCC[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1560470700 FHJZHELHVGDGEJ-HXUWFJFHSA-N 426.358 4.719 30 10 IJEE C#Cc1ccc(NC(=O)NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 1563370091 ZWDNBPPGYCTIQI-UHFFFAOYSA-N 430.504 4.628 30 10 IJEE C#CCSCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1564114688 VDLNCKYHEPRVCD-UHFFFAOYSA-N 432.593 4.664 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 1564385772 ROWPUMVBRBJUML-YADHBBJMSA-N 439.600 4.818 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCC[C@H]1SC)[C@H]1CCOc2ccc(Br)cc21 1565014667 JDKGEVHCVJCMNC-ZIFCJYIRSA-N 437.403 4.592 30 10 IJEE C#CC[C@@H]1CCN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)C1 1587043690 LZKQSDFATJXOMN-QGZVFWFLSA-N 436.968 4.552 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)c2cccs2)CC1 1587746362 QRNRMSGHMOZFJY-UHFFFAOYSA-N 448.592 4.918 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSC[C@@H]1C 1587879411 UPVLQZWAUZNJFS-SFHVURJKSA-N 433.021 4.607 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CCC 1589008561 WYBRSIPNLGZHPJ-CYBMUJFWSA-N 427.437 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(=O)CC(C)C)c1 1589207892 RXJAQUDGKZJMCM-ATIYNZHBSA-N 449.599 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)[C@H](C)CC 1589615014 ISUOFXJBPIYOFS-KUHUBIRLSA-N 441.439 4.969 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2sccc2C1 1593717991 NVNQIDBNJLWHCJ-UHFFFAOYSA-N 432.952 4.955 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1594693245 VARWZHVVZIOWEW-RBUKOAKNSA-N 445.405 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(Cl)s1 1594885505 JJHRIKJBLBWKRG-UHFFFAOYSA-N 440.798 4.626 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](SC)C(C)(C)C)C1CC1 1595065027 GWVCPWUDEJHTEX-FQEVSTJZSA-N 425.602 4.661 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(OC)nc1 1595244208 VUPXELAXDBJNDQ-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCC2)n1C[C@H](F)c1ccc(Br)cc1 1595297456 PSSYOZIHPGKEHG-SFHVURJKSA-N 437.357 4.658 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](CC)OC)C1 1595681409 QPDDHLUILFFACF-PKTZIBPZSA-N 449.599 4.559 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCc2ccc(Br)cc2C1 1595878563 QGCWNSUHJVLMDG-UHFFFAOYSA-N 433.419 4.790 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2CCCCO2)c1C 1611821885 AQPUMWGGDFVKIH-UNMCSNQZSA-N 437.588 4.734 30 10 IJEE CCC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)CCC1 1613753182 CHAFXOOBQACKGR-ROUUACIJSA-N 430.597 4.526 30 10 IJEE CC(C)(C)OC(=O)[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1 1617783726 GDJPBKIHBWYAGU-DEOSSOPVSA-N 442.515 4.950 30 10 IJEE CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 1622956844 CQTDEQOAGPVGJH-PKOBYXMFSA-N 436.512 4.729 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)Nc3ccnn3Cc3ccc(Cl)s3)CC2)c(F)c1 1627167887 BMPCBUVUBQEDOJ-UHFFFAOYSA-N 443.935 4.512 30 10 IJEE C=CC1(CC(=O)N2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)CCCCC1 1629218047 BZDYVIMORMACLS-UHFFFAOYSA-N 439.625 4.990 30 10 IJEE C#C[C@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccc(Cl)cc1F 1635191265 FNQBZQOMEZKNCZ-WMZOPIPTSA-N 447.894 4.643 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1637539891 MYRDOEUDRHJHLR-FKVLARQCSA-N 427.589 4.603 30 10 IJEE C=CCC[C@H](NC(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1)c1ccc(C(F)(F)F)cc1 1638506157 ALWZFORYYMSKCC-FHWLQOOXSA-N 427.463 4.530 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1sc(-c2ccc(C)cc2Br)nc1C 1640020172 QCUGPMFIOQDGFR-UHFFFAOYSA-N 436.419 4.769 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1ccc(F)cc1F 1641674620 CEFHKDWTPUEWDK-LBPRGKRZSA-N 427.264 4.882 30 10 IJEE O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 1643693081 AHHGUKTYOWRYDF-INIZCTEOSA-N 447.310 4.878 30 10 IJEE C#CC[C@H]1CCN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 1648293341 ZMSLBIDRECOSOO-JTSKRJEESA-N 446.532 4.743 30 10 IJEE CCC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1649638010 FFSJMEZVNOHVAG-JOCHJYFZSA-N 439.604 4.601 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1)OCC 1651014193 JUTGVXZUJVLJOX-DEOSSOPVSA-N 442.987 4.939 30 10 IJEE C=CCOc1c(Cl)cc(CNCCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1OC 1651033833 MOASGFMESQOQSW-UHFFFAOYSA-N 436.980 4.960 30 10 IJEE C=CCn1c(SC[C@@H]2CCN(C)C2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1651573151 CUIVFRGBLFGATH-RDJZCZTQSA-N 444.670 4.914 30 10 IJEE CCCN1CCC(N(C)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)CC1 1652645889 FJBKVVFQCZBVQX-SFHVURJKSA-N 444.689 4.906 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)O[C@@H](C)C2)nc2cc(-c3ccccc3)sc2c1=O 1656137376 KEUDGDJTBYQAJT-IRXDYDNUSA-N 441.622 4.512 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCc2cccc(-c3ccccc3)c2)cc1 1658320020 DRCHQQJMNJPZID-UHFFFAOYSA-N 449.576 4.524 30 10 IJEE Cc1cc(NC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c(C#N)cc1N(C)C 1662434304 ABQNNTDTJQZZRE-GOSISDBHSA-N 429.524 4.789 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1 1663017988 LLGWZOQXKNGMMN-SJORKVTESA-N 429.483 4.839 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C(=O)OC(C)(C)C)c2Cl)CC1 1663793740 BUBLDWRDRIFUBO-UHFFFAOYSA-N 425.932 4.596 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2)[C@H]1CCCc2ccccc21 1664826142 XPRTXBSSDAGIMG-NRFANRHFSA-N 431.536 4.613 30 10 IJEE CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1672083460 DNWVAJREXPFPJN-UHFFFAOYSA-N 430.499 4.609 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 1673896546 UYCSMIPVHJYPIP-XMMPIXPASA-N 425.548 4.759 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F 1674143786 BQXANSQSHQMROF-QGZVFWFLSA-N 436.430 4.723 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)C(C)(C)C 1675399031 MILURNPUBXYKTO-CTNGQTDRSA-N 430.017 4.848 30 10 IJEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@@H]1CCCc2ccccc21 1678459975 RLTAEQPPWUDPSX-IFMALSPDSA-N 427.589 4.648 30 10 IJEE C=C(C)[C@H](NC(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)c1ccc(F)c(F)c1 1678526715 JFAJUIFBTQPHHT-IBGZPJMESA-N 425.520 4.917 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnc(-c2ccc(Br)s2)nc1)c1ccc(F)cc1 1678716294 NQKIHRHDNUMSJX-CQSZACIVSA-N 431.290 4.603 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1682886768 YPFVEOHGRSBUHO-UHFFFAOYSA-N 444.531 4.950 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)C(C)(C)C 1683005194 CCTKAZBUENZIKR-HKUYNNGSSA-N 429.561 4.983 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@H](C)C1 1689832304 ZVJBLXYLGZBEJH-SCTDSRPQSA-N 435.597 4.650 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 1689938353 IUKPXAHRXNZVPJ-OAHLLOKOSA-N 437.371 4.581 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](CC)NC(=O)OC(C)(C)C 1690066200 BIQAQTLDTKURCG-INIZCTEOSA-N 449.958 4.500 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)CCC 1690166025 RTONHYNQAGBJRD-MRXNPFEDSA-N 435.435 4.946 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H]1C 1690221980 FYOZLBJIECVWIC-MWLCHTKSSA-N 446.212 4.912 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1690319941 DLLDAVVIJFMZPT-UHFFFAOYSA-N 431.993 4.556 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690452109 WVWSDMGLUZKIMH-ZVDOUQERSA-N 428.552 4.919 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1c(C)noc1C 1690601301 XKPDUKDEMAPIST-LDQXTDLNSA-N 427.593 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(CC)(CC)C1 1705701115 CMOYLQJFURBOTE-URXFXBBRSA-N 438.616 4.875 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1705788183 RVOLZKVBKNBXRZ-GOSISDBHSA-N 438.963 4.649 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCC1 1705856673 AWJWPSSIMFRDFW-UHFFFAOYSA-N 435.572 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)nc1 1705870273 FJMDEGZUQWSYTO-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1705875421 RJTMVXSKIVOBNG-RSXGOPAZSA-N 443.595 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(OC(F)(F)F)cc2)C1 1705914376 ABPZDFXSQLVZCG-APWZRJJASA-N 438.494 4.714 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2sccc2C)C1 1705914937 GZWXFRRVWRAQAJ-PXNSSMCTSA-N 442.560 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2ccc(C)cc2)C1 1705921764 YTEAAOQQIAPRLN-WIYYLYMNSA-N 437.975 4.887 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1705945805 SGULPKISICGMQU-ZDUSSCGKSA-N 447.552 4.551 30 10 IJEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CC2(C)C)ccc1OC(C)C 1711649819 IEGSSJJQSJRTRO-DFBJGRDBSA-N 437.588 4.917 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)CCC1CC1 1722326356 GJTICOBRMYMGFH-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1722451591 LVKCCHJYBNKSLB-KURKYZTESA-N 433.021 4.920 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722490705 CCBUUYIGZHKFJM-GJYPPUQNSA-N 437.009 4.676 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CC1 1722495643 HXEQKZQYSHKBRD-QFBILLFUSA-N 431.378 4.535 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1)c1ccccc1 1722598101 ZOXCHPNRJYVCEX-DHIUTWEWSA-N 436.600 4.760 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](c1ccco1)N(C)C 1722634529 QKMZFYPJAOIMSH-LPHOPBHVSA-N 429.952 4.590 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cnc(C)s1 1722707206 JFYFMFHVKZMCSD-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1723170873 AQRGQLXDXIEFQK-BVAGGSTKSA-N 434.632 4.834 30 10 IJEE C[C@@](O)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1)C1CC1 1723960652 CNXZTDYXBJBDHQ-OAQYLSRUSA-N 434.371 4.543 30 10 IJEE Cc1cc(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)[C@H](C)CC#N)no1 1724217652 FAOOLUXKZFOZBX-GFCCVEGCSA-N 426.933 4.896 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2CC2(C(C)C)CC2)cc1C 1724389804 ABOLLCYCUBFJNT-UHFFFAOYSA-N 434.588 4.714 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)N1CCC[C@H](C)C1 1727533177 CNDJPAPLXGIJEX-FQEVSTJZSA-N 432.616 4.516 30 10 IJEE CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1727682006 AFRNTGIQJJKBGM-BBRMVZONSA-N 446.502 4.965 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1740571044 WHQNWVJWIJBLKX-FQEVSTJZSA-N 439.922 4.514 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740789004 BHNVWDCPGKPOEQ-LJQANCHMSA-N 436.959 4.582 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1740801894 HEBVXBQGGCKRKL-OAHLLOKOSA-N 426.005 4.770 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(N(C)C)CCCCC2)CC1 1740839873 PMLRLYQEGDDPPN-UHFFFAOYSA-N 443.586 4.814 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740859016 FAZCXQQDBQABDV-UHFFFAOYSA-N 429.996 4.838 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1740859570 NQOVXUAAEGDRRU-LADGPHEKSA-N 447.631 4.554 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1740908606 DUHZALGKIPLPGE-WZONZLPQSA-N 440.588 4.568 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1740912368 BAYNODMVGJPDRZ-UHFFFAOYSA-N 427.474 4.680 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1C[C@H]1CSCCS1 1740915877 WKOOLJNNSJQNFN-PXNSSMCTSA-N 432.659 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)CCCS1 1740924531 VIYMPLQTJSMXFB-LQBOVUBWSA-N 448.658 4.542 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2ccccc2[C@@H]1C)C(C)C 1740926605 IIXZRZDGDIAUEB-FTBPSBKWSA-N 449.643 4.952 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1740929750 GZUJQJPTAJVPBK-NFBKMPQASA-N 448.640 4.972 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCS1 1740938378 FEQGQGLTMXDTET-FUHWJXTLSA-N 432.659 4.666 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1740942347 MDILGXQDHVAXJP-NVXWUHKLSA-N 443.539 4.566 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2nc(C)cs2)CC1 1740944699 FAQIYTSBQXVANI-UHFFFAOYSA-N 435.384 4.529 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC=CO1 1741967701 BMXFVTVUPJUHAO-XTQVGHSUSA-N 441.963 4.894 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1749129236 BRDRMIKTNNKREV-YJRNTSOCSA-N 438.616 4.814 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1749239412 JOLWSMXHGYGWIU-SIKLNZKXSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC)[C@@H](C)C1 1749355937 SVOCGSPAIZOIOF-KRWDZBQOSA-N 433.547 4.679 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1749416158 UVWSKLXVFNMEGZ-IBGZPJMESA-N 431.462 4.535 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](C)C1)C(C)C 1749558765 YCJMWYDTBQXDJL-XUZZJYLKSA-N 436.648 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC(C)C)c1 1760123723 BDMMHVYPWUJPFW-WWPVKYPJSA-N 438.616 4.738 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCCN1CCCC[C@H]1C 1760125391 YUJUMRAPDNJKBE-VQTJNVASSA-N 444.023 4.623 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCc1cccs1 1760148361 XJRRDYFYJHTCRQ-UHFFFAOYSA-N 432.391 4.580 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760344054 SHTJVANJBXYMMZ-UHFFFAOYSA-N 429.355 4.550 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)S[C@H](C)C1 1760412897 UEAAYRKTUXYAJW-QKLQHJQFSA-N 428.602 4.723 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1ccnc(C(F)(F)F)c1 1760478267 BGFMEAGTSZGMTB-UHFFFAOYSA-N 431.462 4.504 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1Cc1cccc(Br)n1 1760483298 LUKAZMAMDIAMFC-UHFFFAOYSA-N 444.352 4.939 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2ccco2)C1 1760561061 OXOHVIGCRKFAQW-IBGZPJMESA-N 430.961 4.689 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1CC1CC(C)(C)C1 1771110207 HNNJJZPFBJGSDN-UHFFFAOYSA-N 446.393 4.510 30 10 IJEE CCCOc1ccc(/C=C/C(=O)NCc2ccc(OC(=O)c3cccc(C#N)c3)cc2)cc1 1859032179 ZTCROEYDMZVFAM-XNTDXEJSSA-N 440.499 4.896 30 10 IJEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1860844921 CMNZAAVMMCXUTQ-CQSZACIVSA-N 440.739 4.672 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)cc1 1860914012 YDPZAZDTRUBICX-HSZRJFAPSA-N 442.906 4.673 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C1CCN(Cc2ccccc2F)CC1 1861181084 GMEGDWHHTOMTKK-AREMUKBSSA-N 447.639 4.799 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1ccc(F)cc1F 1862411723 NQGWZNSNPUDCGW-QFIPXVFZSA-N 437.417 4.925 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862449521 MZZZQWMXDKHKQK-VBKZILBWSA-N 427.928 4.597 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F 1862467653 BLWNFVZAGCBZJR-KZULUSFZSA-N 432.289 4.965 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862499115 YSXVKURBLAQGAG-LJQANCHMSA-N 434.319 4.571 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862534512 SWEFMDZXZQMBER-JOCHJYFZSA-N 433.504 4.858 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(Br)c1 1862552168 BBZVOPMGHXHDID-FQEVSTJZSA-N 440.337 4.926 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862558202 QPDBUXRVMYZQHO-OYHNWAKOSA-N 443.459 4.517 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(N(C)C)cc1 1862559483 PFFUKPSEHQPPPY-MZNJEOGPSA-N 441.531 4.674 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862589028 CEEJTGVQOCUVJB-DEOSSOPVSA-N 427.500 4.912 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1F 1862617330 VEZCUXNRBDOTLS-OAQYLSRUSA-N 425.500 4.738 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(F)c1 1862649974 KSKIZWFPLJAZQI-HSZRJFAPSA-N 433.479 4.982 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862694428 JLXYPEIFXOSRNL-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862724900 WSYZUCTZKBHQBT-AVRWGWEMSA-N 441.527 4.875 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc4c(O)cccc34)=C(c3ccc(F)cc3)C2=O)cc1 1862768578 UKZLYXPCTQNCMA-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2ccccc2OC)C1=O 1863437148 WWWPUYWQCZWHBS-UHFFFAOYSA-N 433.552 4.700 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CCCOC(C)C)C1=O 1863567554 MEKJNTDCIFTMJR-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)C(c2ccccc2)c2ccccc2)ccc1Cl 1870139498 UAEQNLQZCAMZAF-UHFFFAOYSA-N 427.895 4.871 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CNc1ccccc1 1870823905 JDSIDYIURHMUNX-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1ccc(C)c(C)c1 1871190257 DQUDNCNGMZSEBR-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE CCN(CC)c1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC)cc1 1871252017 HIFVBFMQMKGATC-UHFFFAOYSA-N 430.552 4.777 30 10 IJEE C=CCN=c1nc(N(Cc2ccccc2)Cc2ccccc2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651588 YWNAOSMNXBFGQQ-UHFFFAOYSA-N 436.563 4.572 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CCCC 1872194437 OGHLBLLSOFEJLV-HXUWFJFHSA-N 444.597 4.601 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872441862 UKBDANHCKIZCTE-IIBYNOLFSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872519919 MUYICMDEVFLQKE-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872525441 APVSYEKAEYAWFQ-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(Cl)c2)cs1 1872767060 RYJQGAVLFZQEHG-MJGOQNOKSA-N 435.936 4.688 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCCCn3ccnc3)ncnc21 1873640544 YZIWDCPSLKOKOO-UHFFFAOYSA-N 443.555 4.692 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874216092 KGHFTKOTBDJNAU-HYARGMPZSA-N 445.932 4.846 30 10 IJEE CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874320462 SDWNTUKXJJFCKV-FOKLQQMPSA-N 446.960 4.836 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cc(OC)ccc1OC 1874321221 GHJLXYNOCGTARI-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(OC)c1OC 1874362732 UEGDZWBNEWYEGK-MFKUBSTISA-N 436.581 4.939 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874461366 JXZRJWUCDPHKMJ-AUEPDCJTSA-N 435.431 4.996 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874484449 WYQKVGCIEFVOEX-YDZHTSKRSA-N 434.009 4.652 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)C)n1/N=C/c1c(OC)ccc2ccccc12 1874491866 MYWSHLXGLFTWMY-ZVHZXABRSA-N 440.569 4.566 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cc(Cl)ccc2O)cc1 1874493017 RFYSZLRBJLLIRG-SSDVNMTOSA-N 443.916 4.987 30 10 IJEE CCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874526655 ZHORPHAPFPPTHL-SSDVNMTOSA-N 440.400 4.571 30 10 IJEE O=C(NCc1nnc(C(F)(F)F)n1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1F 1890455559 CNSAOMYJWSTWQE-UHFFFAOYSA-N 447.314 4.766 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)c1ccc(F)cc1Br 1922074608 OTCVXLBQLJTQRH-FCHUYYIVSA-N 436.365 4.937 30 10 IJEE CCCN[C@@H](CC#C[Si](C)(C)C)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2014158848 PWABVWONVMYBSQ-QHCPKHFHSA-N 445.724 4.652 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)nc1 2050056518 GMFSUORNEVXYJJ-GOTSBHOMSA-N 441.572 4.603 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2081876276 KYPLPVJGSADKME-SBUREZEXSA-N 449.523 4.532 30 10 IJEE Cc1cc(Br)c(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)cc1Cl 2163720527 HLKAJFPJWMKAQL-STQMWFEESA-N 440.574 4.575 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(Br)cnc2C#N)CC12CCCCC2 2167614289 RWUVTUVJZXLAPY-HNNXBMFYSA-N 435.366 4.840 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1ccc(Br)c(C#N)c1 2180951268 VLJQQKCDKLEWRE-INIZCTEOSA-N 436.350 4.589 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181114479 LEGWBBGCPMZFRJ-IOASZLSFSA-N 436.350 4.541 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(F)cc(Br)c2)NCC)C1 2183007133 XFGBXONAVANSOW-GOSISDBHSA-N 441.385 4.970 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)cc1)c1ccc(F)cc1Br 2185181734 GYMIFUASNKBEOF-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE COc1ccc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)c(Cl)c1 2207250251 KDZUYQWEPYLQFB-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE CCCc1ccc(C#C[C@H](N)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223316528 SNKAMRKTSPWKHH-DQEYMECFSA-N 436.596 4.818 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(F)cc1Br 2225596248 PZVLPTBJIQHEBQ-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE C#Cc1cccc(N(C)C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 2243905115 KLCUQRICZQNZPD-UHFFFAOYSA-N 438.527 4.950 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)CC(F)(F)F 2247929484 FPJPLDSWWBDQQV-UHFFFAOYSA-N 439.308 4.560 30 10 IJEE C=CCCC1(C(=O)Cc2cc(F)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266234403 MGXYJUQOZSADCA-UHFFFAOYSA-N 426.326 4.903 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2266710113 WMWDZGFUMGOXIE-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1F 2267554681 DAZXLYKAEIFLCW-IYBDPMFKSA-N 448.344 4.661 30 10 IJEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)CC1CCCC1 2281829678 BISDCJXVNRDOPL-UHFFFAOYSA-N 449.400 4.827 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1 2282123665 XZWSJIQQXRKBKB-NRFANRHFSA-N 449.400 4.504 30 10 IJEE C=CC[C@@]1(COc2oc(C(=O)O)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2287736650 ZRQFHCNVZCJHHE-LJQANCHMSA-N 444.322 4.713 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@H](N)C#Cc3ccc(Br)cc3)c21 2296290947 JDMQIBGRUVMLEH-LJQANCHMSA-N 427.342 4.798 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(I)cc1 2296305187 QAOQMOUYFYDOEI-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1coc(CNC(=O)OC(C)(C)C)c1 2296310384 JBYXOBNXGJODPE-IBGZPJMESA-N 433.346 4.769 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 2296557205 YTCMKJVEEKPKAV-HSZRJFAPSA-N 428.488 4.804 30 10 IJEE Cc1cc(Br)ccc1N=C1NC(=O)C(=Cc2ccc(N3CCCC3)o2)S1 2313560187 MEIIUTJXCXFRCE-UHFFFAOYSA-N 432.343 4.842 30 10 IJEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n(N=Cc2ccc3cc[nH]c3c2)c1=O 2321647083 JXKYHVLVAKNOJF-UHFFFAOYSA-N 431.565 4.900 30 10 IJEE COc1cc(C(=O)C=Cc2cccc(OCC(=O)OCC(C)C)c2)c(OC)cc1Cl 2323272223 LCPPDEURGYZPIE-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(OC)c2)c1 2323511077 PBNDLTCBHRRBKA-LJQANCHMSA-N 445.515 4.856 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325198434 MKSUAUOKBWERFY-UHFFFAOYSA-N 438.480 4.547 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)NC4CCCCC4)c3C)C2=O)cc1 2325327383 LJBYPCSVUYBYLI-UHFFFAOYSA-N 435.520 4.838 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)c1 2325706740 QSIOVFZVWRXXKR-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)cc1 2325737835 STQAQKIDOGCSDW-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1cccc(Cl)c1 2330448964 OWHTYYAVNRWYSA-UHFFFAOYSA-N 434.974 4.511 30 10 IJEE COCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Cl)ccc1O 2331307254 YHNGBIROSZJFBR-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE CCN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339534821 INLQQYWQEIMNHZ-LJQANCHMSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC(C)(C)[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582141 OYXKQZOIEHZHID-FJHQEINZSA-N 444.381 4.797 30 10 IJEE CC1(C)OB(c2ccc(COC3CC4(CC(F)C4)C3)cc2Br)OC1(C)C 2377327788 WKKADWXZMZEJGQ-UHFFFAOYSA-N 425.147 4.546 30 10 IJEE C=CCn1c(SCC(=O)NC2CC2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 9944587 WSYOMNFYOGKNFL-HNNXBMFYSA-N 430.643 4.714 30 10 IJEE COC(=O)c1ccc(/C=N/Nc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)cc1 20905686 LMHYXVMGKBZQJD-ZVBGSRNCSA-N 436.324 4.636 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cccc(F)c2)c(C)n1 32973041 ZHVYGIPRZHZEFY-UHFFFAOYSA-N 425.483 4.586 30 10 IJEE CCc1ccccc1N/C(=N/C(=O)c1cccc(F)c1)NCCc1c(C)nn(CC)c1C 32973338 YAAVRYLECABXJE-UHFFFAOYSA-N 435.547 4.662 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)c1 33445840 RIOJJPWFEJATRU-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE C=CCc1cc(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)cc(OCC)c1OC 33447195 SWWMGHFYADPIJW-WQRHYEAKSA-N 440.496 4.633 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(N(C)C)cc1 40101561 FQODBPBXIVJXFJ-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 41290154 WOTKZGZAALVQPV-UCQKPKSFSA-N 445.471 4.605 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)cc1 41291912 DUQRTTMNWDSIPC-BKUYFWCQSA-N 432.403 4.756 30 10 IJEE CN(C)c1ccc(/C=N\N=C2\S/C(=C\c3cccs3)C(=O)N2Cc2ccco2)cc1 47139222 SOEZIFSBXLTCGY-PLKVVUSUSA-N 436.562 4.914 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSCC(=O)Nc1sc2c(c1C#N)CCCC2 96538281 WHEIMEZLRXYZQV-UHFFFAOYSA-N 433.986 4.771 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 102547451 PKSBZBUTDFOLCF-UGUGFTGJSA-N 446.478 4.630 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2OC)cc1 165870661 MVBCUACASUBGIH-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)c(OC)c1Cl 169913717 BAHHGNPHCQPRBA-AFPJDJCSSA-N 441.315 4.503 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2O)c1 169932067 OIBWWJKZVYDHHC-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC(C)C)cc1 169977978 NWMAJCUMURJQTN-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccs2)c1 169981863 YBSZOLLDGBJSBY-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccs2)c1 169981909 INDFAYKOMRSEKB-OAQYLSRUSA-N 449.484 4.658 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170031407 BUCBGAIHCBLQRJ-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100537 QEEFEJAKYOPPJF-JOCHJYFZSA-N 442.427 4.581 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccnc1 170195437 DHDDFBYGHZXPHN-IBGZPJMESA-N 433.533 4.892 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 170248091 CVGSCUUHMNPZJB-JOCHJYFZSA-N 449.409 4.519 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccc(F)cc1 170271234 FTNNBLQMKPOXGV-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(C)o3)oc12 170308023 OUXACZBEBRBSGO-NRFANRHFSA-N 444.443 4.516 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(OC(C)C)cc2)c1 170346670 JPNDLMFFESNCLO-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(C)c2)cc1 170458936 JNPLYKBSLOYIHM-NRFANRHFSA-N 435.520 4.683 30 10 IJEE CCN(CC)c1c(/C=N/Nc2nnc(SC3CCCC3)[nH]2)c(C)nn1-c1ccccc1 253566916 JNISMZAUDDQWHS-HZHRSRAPSA-N 438.605 4.626 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 379652871 YCIBTFCQCLTIDW-AVRDEDQJSA-N 427.386 4.604 30 10 IJEE CC1(C)OB(c2cccc(COc3c(F)cc(F)cc3Br)c2)OC1(C)C 380395791 BYYJJNNAZPKZCZ-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(CCc1ccccc1)Cc1ccc(C)s1 460797286 WMIFINXUEICKRG-QFIPXVFZSA-N 438.597 4.561 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 475548838 KGHPXDMDYUGKGJ-UHFFFAOYSA-N 435.568 4.845 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 476078638 HRPBRAZFIKDCRJ-UHFFFAOYSA-N 440.609 4.894 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 476633175 LYQCHFOSJPYGCV-ZWKOTPCHSA-N 444.560 4.959 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 498690323 XYSPQDLTLNIRIK-RPWUZVMVSA-N 438.522 4.758 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OCc2ccccc2)CC1 508490286 BKJKRWIYQSYUJK-UHFFFAOYSA-N 427.552 4.808 30 10 IJEE C[C@H](C(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1)n1cnc(C#N)n1 541551349 ITUOMRFBIODUDQ-LLVKDONJSA-N 446.692 4.558 30 10 IJEE COc1ccccc1-c1nnc(Sc2nc(C)cc(C#N)n2)n1-c1ccc(Cl)cc1 587068403 FJAWSIYXZBQCTJ-UHFFFAOYSA-N 434.912 4.718 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(-c3noc(C(F)F)n3)c2)cc1OC 606443531 FFJSGGDFBIBYMD-NTMALXAHSA-N 427.407 4.900 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(c2nnc3n2CCC3)CC1)c1ccc(C(F)(F)F)cc1 676727091 OLXCMNNDHONJBO-LJQANCHMSA-N 447.505 4.840 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 698968548 UAQBCYGLTXRBGJ-OAQYLSRUSA-N 436.557 4.853 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727233401 PHMUUDYXFJGGLK-LJQANCHMSA-N 435.524 4.959 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)s1 740506932 DXONMVGMIMOFJL-UHFFFAOYSA-N 430.316 4.848 30 10 IJEE O=C(NCC#CCNC(=O)c1cc(Cl)sc1Cl)c1cc(Cl)sc1Cl 753663968 NTYLSYNBCIMYDK-UHFFFAOYSA-N 442.176 4.586 30 10 IJEE C=C(Br)COC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 767504716 DEXWFAFGNLCZGN-UHFFFAOYSA-N 426.336 4.587 30 10 IJEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)cc1 778293389 DMEZHHAFERRPML-OAQYLSRUSA-N 441.512 4.611 30 10 IJEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc3nc(O)oc3c2)cc1OC 794716805 VLGINVHJFYWZHG-QPJJXVBHSA-N 430.254 4.765 30 10 IJEE Cn1c(=NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2ccccc21 1084016199 FUKJTIHIGMDENN-UHFFFAOYSA-N 449.448 4.783 30 10 IJEE COc1cccc(N2CCN(/C(=N/[C@@H]3CCCC[C@H]3C)Nc3cc(F)ccc3O)CC2)c1 1088684154 CHMUYCOSQMTPON-XMSQKQJNSA-N 440.563 4.709 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1 1125614360 HGXUSKFYSXLKNX-MRXNPFEDSA-N 439.512 4.801 30 10 IJEE C#CCOc1ccccc1CNC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 1126240167 HPKXWPWDWCNFFY-UHFFFAOYSA-N 442.346 4.667 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)C1=O 1128395332 GCIZUYUKPKOWTH-DEOSSOPVSA-N 442.563 4.522 30 10 IJEE C#C[C@@H](NC(=O)CCc1cc(F)ccc1Br)c1ccc(Br)cc1 1129608286 CMLYMIJRSJJECD-QGZVFWFLSA-N 439.122 4.774 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 1138221702 RPUDMXPKFYPBPA-LJQANCHMSA-N 446.334 4.597 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 1146467909 GARCEXZUZVOQKB-UHFFFAOYSA-N 440.609 4.682 30 10 IJEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl)c1ccccc1 1163096425 DTUALGZODDKKBB-QFIPXVFZSA-N 438.936 4.554 30 10 IJEE C=CCC1(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccc(OC)cc3)C2)CCCC1 1174632789 XDKCWDGJFZFOPU-LEWJYISDSA-N 428.573 4.651 30 10 IJEE N#Cc1ccc(Cl)cc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1188979370 AAUJOJNBCQVBHC-UHFFFAOYSA-N 445.950 4.524 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3N(C)CC[C@@H]2C)n(-c2ccc(F)cc2)c1C 1191600132 BDLVYIBIEHGXSM-KRWDZBQOSA-N 445.542 4.778 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1 1220892182 LRHQTNQRIIHRDJ-UHFFFAOYSA-N 438.446 4.543 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cccc(-n2ccc(C(=O)OCC)n2)c1)c1ccccc1 1224521042 AKGUXLSHAWFSAK-JOCHJYFZSA-N 432.524 4.556 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC1C[C@@H](C)O[C@H](C)C1 1227053892 IFUHBRLMOLSUAO-HUUCEWRRSA-N 427.358 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCSc2ccc(Br)cc21 1227478402 BCSYWJKJAMRCKQ-XCRHUMRWSA-N 425.392 4.657 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 1229989920 PAKKQGXIQGSPGC-NQIIRXRSSA-N 447.348 4.859 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)c1ccccc1 1230489190 LUXNIOBJELMWBR-AREMUKBSSA-N 443.522 4.611 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1cccc(OCC(F)(F)F)c1 1235417491 DNTLTKQPGLXSTI-UHFFFAOYSA-N 438.494 4.736 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1264263036 GLSGBKWHCRATRM-SANMLTNESA-N 429.516 4.820 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(Cl)cc1F 1275499327 WTFWYXKXEMWPDB-UUOWRZLLSA-N 448.925 4.975 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N1CCCCCC1 1286281546 HXAHNHSSGZLJAL-MRXNPFEDSA-N 448.398 4.503 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](OCC2CC2)C1 1286338269 ALTHCJYQYDDGMI-MRXNPFEDSA-N 449.418 4.578 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(C)C)CC1 1286511348 JGKBVWXCQIRMQP-UHFFFAOYSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](OC)[C@@H](C)CC 1286518972 OHSKBTOEXPOOBN-HVDAFXPBSA-N 428.552 4.610 30 10 IJEE C=C(Br)Cn1c(N(C)CCOCC2CC2)nnc1C1(c2ccccc2)CCC1 1286546969 HACUNUYTYGGZRO-UHFFFAOYSA-N 445.405 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(C(F)(F)F)CC1 1286565483 PHXKDIQEWWBMDF-YLJYHZDGSA-N 426.527 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(OCC(F)(F)F)cc1 1286571761 UEJJFTMTECKLFX-UHFFFAOYSA-N 431.462 4.732 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(=C)CC1 1286603424 SETMKCMZCPXXBK-UHFFFAOYSA-N 434.540 4.866 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1)c1ccccc1 1286679082 JYNJWWJVIMUTDV-DHIUTWEWSA-N 431.584 4.889 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(F)F)C1 1286685593 SYBSFABLOQEEEO-CQSZACIVSA-N 442.352 4.884 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1 1286689528 TUNSWGZWNJSZCI-UHFFFAOYSA-N 432.996 4.714 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1286707891 LMATZUKDMIRYDS-NRFANRHFSA-N 449.599 4.540 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CCCc1nnc(C)s1 1286744581 LWVDPMIAPVDHDM-UHFFFAOYSA-N 428.581 4.700 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)cc1F 1286764370 NGOGSQGBJHPABU-UHFFFAOYSA-N 435.478 4.803 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCCC1 1287155680 FHZBLNHCEXZWHN-PKTZIBPZSA-N 434.632 4.810 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1289002980 AATNLQHTFCCXQP-OAQYLSRUSA-N 432.572 4.685 30 10 IJEE Cc1nc(CCn2c([C@@H]3CCCCO3)nnc2N(CCC#N)CCC(C)C)sc1C 1289141285 BSPNCDWCZSMUAR-IBGZPJMESA-N 430.622 4.602 30 10 IJEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2ncc(C)s2)C1 1293497676 CBZLXAWGZIXAQI-SJLPKXTDSA-N 436.585 4.534 30 10 IJEE C=C1CCC(C(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)CC1 1293855447 PYMUWQLGKUQNOS-UHFFFAOYSA-N 426.454 4.568 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1300321865 OXOOHFXJGPNECB-BURNTYAHSA-N 438.616 4.816 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnc(C)s1 1300393422 HUECVJILQRSGOI-UHFFFAOYSA-N 444.402 4.831 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H](F)c1ccc(Br)cc1 1300611948 OYSBKXKRBPOYBH-KRWDZBQOSA-N 431.309 4.779 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(c2nccs2)CC1 1300743515 SVTLTNQGCBIHBB-UHFFFAOYSA-N 444.029 4.805 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(C)cc1)N(C)C 1300806849 BQGAOCDCAYIBQO-RCZVLFRGSA-N 433.625 4.534 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1300832116 DIEHFSGVQUVVEH-ZDUSSCGKSA-N 446.418 4.780 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cc(C)cs1 1300950390 CDCIPXMMPMLXBF-SFHVURJKSA-N 445.633 4.975 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(C)CCCO2)CC1 1301114407 SATNAHDZZGXVIT-JOCHJYFZSA-N 445.405 4.988 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](c1ccco1)N(C)C 1301309688 UXMZVIUSPKJGIR-NRFANRHFSA-N 437.588 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@@H](F)C1 1301390656 MFMVBKXIPSXZQV-AZUAARDMSA-N 447.599 4.709 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301438110 IPOCTAHFDNALCT-IBGZPJMESA-N 425.577 4.532 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1301601997 WOSAEVLRLLAVNI-VQTJNVASSA-N 427.643 4.846 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 1301603521 BBJDUIDMSNZJNP-UHFFFAOYSA-N 444.402 4.658 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(F)(F)F 1304872941 ACGDJWQBAMNQIF-ZDUSSCGKSA-N 432.450 4.614 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1 1309285046 XSZXWEULWSKLCS-SFHVURJKSA-N 444.597 4.869 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 1313098538 VXXRYLOJKPTZBP-VQTJNVASSA-N 449.776 4.872 30 10 IJEE CSCc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(CCC#N)CC2CC2)cc1 1316429788 FPEGRHVDACICIF-UHFFFAOYSA-N 432.597 4.690 30 10 IJEE CCN(CC)[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1 1350367495 DEKCOZQHEDKZCS-RUZDIDTESA-N 427.548 4.950 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(N3CCCCCC3)c2)CCCN1C(=O)OC(C)(C)C 1353895846 ZCRBCELBROGDMG-VWLOTQADSA-N 425.573 4.799 30 10 IJEE C=CCC(C)(C)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1357878328 XYQYETGKJOPSNU-IBGZPJMESA-N 430.545 4.784 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1358933361 QQKIXTVUTPXNOE-WOJBJXKFSA-N 426.992 4.900 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)COC 1358986618 BDDDARAKSLTZIU-UHFFFAOYSA-N 447.608 4.513 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1359055184 VQJKSTVDIINBKL-FDDCHVKYSA-N 447.608 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(SC)c1 1359064840 BDJUWRKRMIRVAB-PXDATVDWSA-N 431.609 4.977 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1359161551 IBJRICLQHIKTLN-IBGZPJMESA-N 438.576 4.520 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359200365 CAYJXGOUVVVYCE-UHFFFAOYSA-N 433.600 4.522 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1359259254 PWQUTWSSTPITTO-NRFANRHFSA-N 439.604 4.680 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1cccs1 1359261876 YQMLIYBFKDPDJY-UHFFFAOYSA-N 443.642 4.710 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCn2ccnc2C1 1359268105 DEFOEJLPKUMRTO-HXUWFJFHSA-N 430.600 4.880 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccnc(SCC)c2)C1 1359317917 SUBHMVCCTBAQBI-HXUWFJFHSA-N 435.597 4.590 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]1c1ccc(Br)cc1 1453936641 SASLBCKSVJCSBL-MSOLQXFVSA-N 437.378 4.972 30 10 IJEE C#Cc1cccc(N(C)CC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)c1 1459451948 KWLRKDHETSYATK-UHFFFAOYSA-N 436.309 4.693 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)Cc2nc(N)nc(Nc3ccccc3CC)n2)c1 1459800709 PCJUZNFYTWJWMN-UHFFFAOYSA-N 434.547 4.948 30 10 IJEE C#CC[C@]1(C(=O)NCC2(Cc3cccc(Cl)c3)CC2)CCCN1C(=O)OC(C)(C)C 1460754304 HXURBVQSZHYONB-XMMPIXPASA-N 430.976 4.572 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](O)c1ccc(-c2ccccc2)cc1 1461409383 NCVTUYOTPGELDX-QHCPKHFHSA-N 436.349 4.951 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OC 1462227432 DJYCDVSHMMYUDS-HSZRJFAPSA-N 436.980 4.889 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2ncc(Br)cc2O)cc1 1468067789 IBUHDEGFFNYDPI-UHFFFAOYSA-N 426.295 4.825 30 10 IJEE C#CCN(C(=O)NCCc1ccc(OC)c(OC)c1Cl)[C@H]1CCCc2ccccc21 1470293010 QTFBJHXHDLQKEF-FQEVSTJZSA-N 426.944 4.622 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=[S@@](C)(=O)CC 1471987028 SHSBUBNAKSARKJ-UGDMGKLASA-N 440.565 4.504 30 10 IJEE C=C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1)C(=O)OC 1472919048 YOUJZPAIWIHCPE-GOSISDBHSA-N 429.929 4.806 30 10 IJEE Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1476203430 AILVDMCYBSWJGO-UHFFFAOYSA-N 442.567 4.704 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 1478806359 XCSCIVMPUQSSMJ-AHWVRZQESA-N 441.575 4.747 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1478963935 DLBGUZFTANBNDP-GBAJDQEWSA-N 449.636 4.615 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1478966229 VNZMHSUWVBHHBN-HVJHZFLKSA-N 445.579 4.963 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(C)(C)c1ccccn1 1507611381 POMXPGCBUCVWSZ-UHFFFAOYSA-N 431.584 4.812 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCOC(C)C 1507662291 HYOAOIGPUPKCPV-UHFFFAOYSA-N 438.641 4.944 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CCCc2ccc(OC)cc2)nnc1C(C)(C)C 1507808243 GNIMJYMDAVQUAP-RBBKRZOGSA-N 426.605 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccco1 1507810992 MZDGCYZKYJVCFV-RDPSFJRHSA-N 436.556 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cc(C)nn1C 1507813970 HLQURERAAPVJQM-UHFFFAOYSA-N 443.393 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCc1nnc(C)s1 1507816008 CTLPPQGUXLPRKX-UHFFFAOYSA-N 448.600 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC1CCN(Cc2ccccc2)CC1 1507819428 QYXFPYJGMLYWHM-DEOSSOPVSA-N 437.632 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)Oc1ccc(C)cc1 1507826113 GEXROASHBLWXTM-NRFANRHFSA-N 444.583 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1507919243 MZHQCBDGPRFBHA-HXUWFJFHSA-N 442.579 4.851 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1SCCc2ccccc21 1507928029 BSBUFKDVXYQIPV-UNMCSNQZSA-N 426.630 4.995 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1507930252 UVDYGXOVSGKDCF-BVAGGSTKSA-N 448.615 4.505 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC=C(C)CC1 1507960740 XCOGBCKQAUHDPY-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nc(C)cs1 1508008297 MPRKZQAMVDQYCP-SJLPKXTDSA-N 443.642 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC(C)CC1 1508020394 MYKPOUKKJBNRBH-HXUWFJFHSA-N 428.024 4.821 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Cl)cc1 1519828762 NAUXSOJCZYVNAH-SZMVWBNQSA-N 431.005 4.819 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2ccc(C#N)cc21)c1ccccc1C(F)(F)F 1521376157 HLQSUQATUMPYHR-IBGZPJMESA-N 445.441 4.732 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)cc1 1521873678 VQSHJGJKIQUXHQ-UHFFFAOYSA-N 425.463 4.620 30 10 IJEE C#Cc1ccc([C@H](OC(=O)COc2ccc(F)cc2Br)C(F)(F)F)cc1 1525704174 OJWZCPTXAKYBKN-KRWDZBQOSA-N 431.179 4.795 30 10 IJEE Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)nnn1-c1ccccc1Cl 1526992261 GIYDNGXAWOIFTQ-UHFFFAOYSA-N 430.855 4.540 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c1 1530326279 HHVKOOKCZRUULQ-NHCUHLMSSA-N 428.363 4.749 30 10 IJEE COc1cc(C(=O)N(C2CC2)[C@@H](C)C#N)ccc1OCc1ccc(Br)s1 1531697393 FKVXQTYGYAMFCO-LBPRGKRZSA-N 435.343 4.615 30 10 IJEE COC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)n(-c2ccccc2)n1 1534583417 FGQJVFVYDSXXLY-UONOGXRCSA-N 434.521 4.530 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(CC)C1CC1 1538971677 HSIDFYKIVQURNE-RTBURBONSA-N 444.023 4.631 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCSC(CC)(CC)C1 1539134480 VEKKKPMFDWLPOU-UHFFFAOYSA-N 426.630 4.597 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539606696 NGTYTBYJAGYITJ-QFIPXVFZSA-N 447.421 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1oc2ccc(F)cc2c1C 1539644150 DKRUMVFQCBZSQY-UHFFFAOYSA-N 441.551 4.841 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1c(Br)ccc(OCC)c1F)c1ccccc1 1539645695 KWSOFKAYALYLCL-RUZDIDTESA-N 426.307 4.840 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1539690805 MRYPMAJKOJNICJ-UHFFFAOYSA-N 445.354 4.666 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(Br)s1 1539723541 TYEGJSYTMUDJCY-LBPRGKRZSA-N 441.305 4.865 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(F)(F)Br)CC1 1539831727 KTOXITFFXALVDP-INIZCTEOSA-N 425.321 4.964 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccsc2Br)CC1 1539881672 GDICWBYPKXJCTH-UHFFFAOYSA-N 432.391 4.558 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(OC(C)(C)C)CC1 1539900956 YZNMPGLQYBUQTR-UHFFFAOYSA-N 433.641 4.583 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1539975132 MQYMNFJLTNHOMY-JOCHJYFZSA-N 426.561 4.542 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1540005701 MFKJKLAWWHTQMG-GOSISDBHSA-N 426.458 4.522 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC[C@@H](C)N1CCCCC1 1540133582 HUBFOSCKOWYBCD-HXUWFJFHSA-N 436.579 4.869 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1540152467 VQXLWBFFUOUJQC-RZUBCFFCSA-N 431.694 4.965 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCS2)C1 1540884699 TYQMZRVYPJISAJ-WMQCIHAUSA-N 446.592 4.624 30 10 IJEE C=CC1(CC(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCCCC1 1542119049 QFIKOCGJXHXKSL-UHFFFAOYSA-N 434.378 4.548 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)c(OC)c1 1544184722 KCHUTXSLTVZKAY-APWZRJJASA-N 444.369 4.970 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](CC)C1)N(C)C 1546723459 AFDGYJNRESWJPK-FCHUYYIVSA-N 440.661 4.515 30 10 IJEE C=CCn1c(S[C@@H]([C@@H]2CCOC2)C(F)(F)F)nnc1-c1ccc(Br)cc1 1559333820 JAKRPFCTCWQNQJ-OCCSQVGLSA-N 448.308 4.953 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)c1ccc(F)c(F)c1 1561487847 SXGXDCWFEQQOQI-RBZFPXEDSA-N 445.915 4.628 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 1562104610 YDZIFANQBGFPNK-QUCCMNQESA-N 449.617 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 1564612529 SZWOOWXDGGLFDG-CCKFTAQKSA-N 425.342 4.710 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccccc1C(=O)OC(C)(C)C 1565148549 KPMZNSOQLHWGAF-UHFFFAOYSA-N 426.561 4.707 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1Cc2ccccc2C2(CCN(C)CC2)C1 1587250592 XCOFXIOQMDFPPR-UHFFFAOYSA-N 444.497 4.890 30 10 IJEE C#CCCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)Cc1cnn(C)c1 1587723956 WNVDPWFCUVYKJV-UHFFFAOYSA-N 448.571 4.986 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1588016370 PFBVITFZHNKQDO-NFBKMPQASA-N 438.616 4.819 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)C1CCCCC1 1588105218 QFFFNTFZQDLNBB-MHZLTWQESA-N 432.612 4.647 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)CCSCC 1589421369 KIQNYSHMEXSJKB-HNNXBMFYSA-N 441.414 4.885 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCC(C)CC1 1589570352 UIFDAIADWKJQGW-AJZIEELWSA-N 442.579 4.992 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1594660911 OMFZXCPCHMAFDZ-YFNKSVMNSA-N 437.632 4.975 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1594739258 QMMHVMUDFDCCDH-SFTDATJTSA-N 430.543 4.897 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC[C@H]1CCCCO1 1595075831 LDPXPQIEUBSLLU-JOCHJYFZSA-N 433.556 4.501 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H](c1cccs1)N1CCCC1 1595161889 OSIMFKQUQMGWNK-IBGZPJMESA-N 427.643 4.993 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 1597199011 CVHJKPLWILNVMX-XMMPIXPASA-N 444.579 4.640 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)Cc1cccc(Cl)c1Br 1621725524 SUFSYVQDMZAQAX-UHFFFAOYSA-N 428.779 4.663 30 10 IJEE N#Cc1cc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)ccc1OC(F)(F)F 1624210258 BTGWIYSLJMHUGT-UHFFFAOYSA-N 435.793 4.999 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1634040040 NXGJVCNTEDAMFF-HUUCEWRRSA-N 436.833 4.505 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2cccc(C(F)(F)F)c2nc1O 1634200054 PWDKMLYBLUQEEE-IEBWSBKVSA-N 425.410 4.871 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C)C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 1640819573 CZGQSQYCMXDNCX-MRXNPFEDSA-N 441.622 4.967 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 1641227613 FIRNCCKWZFAJFY-SFTDATJTSA-N 444.959 4.937 30 10 IJEE C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1644780586 CDLFMTAGKCEBRG-CQSZACIVSA-N 440.334 4.609 30 10 IJEE CCC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1)OC 1649634084 HYLILSOXJJBDAV-BPYKYCOYSA-N 439.604 4.980 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SC[C@H]1CCC[C@@H](C(F)(F)F)O1 1652469079 AJBJQGHTCSOUDQ-CJNGLKHVSA-N 431.455 4.774 30 10 IJEE C=CCn1c(SCCOc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 1656066749 FQXLHVPGPWUPNT-UHFFFAOYSA-N 443.550 4.602 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 1657505284 MADWVESHDIHHLP-JOCHJYFZSA-N 435.568 4.898 30 10 IJEE C=CCOc1ccc(CNC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1Cl 1658604297 FWLDNFRKRPNFKM-MRXNPFEDSA-N 430.923 4.887 30 10 IJEE CC(C)(C#N)CS(=O)(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 1666665173 DJMUJDCKSQXABG-UHFFFAOYSA-N 426.460 4.809 30 10 IJEE C#CCN(C(=O)NCCc1ccc(F)c(Br)c1)[C@@H]1CCCc2ccccc21 1667047346 QPXXCGIPXGCWLC-OAQYLSRUSA-N 429.333 4.853 30 10 IJEE CCc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)N(C)C)cc1 1667191066 FWECNGHWCAXSIN-HSZRJFAPSA-N 429.524 4.732 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c1 1667734434 UZNOSAPLEASLIB-FQEVSTJZSA-N 443.503 4.971 30 10 IJEE C[C@@H](NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1nc(C(F)(F)F)no1 1670754150 CZJIOVJQQPQTTJ-MLUIRONXSA-N 434.699 4.545 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)cc1 1673819684 KMGIEEXBCVSSMC-NRFANRHFSA-N 449.599 4.864 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 1674753057 FUBJCGFOPMPARW-DOMZBBRYSA-N 447.283 4.929 30 10 IJEE C=CCC[C@H](CO)NC(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1680794820 PGPXZJCNSPWXSU-UYAOXDASSA-N 440.437 4.591 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(Br)cc1 1681259847 AISQTHHYNAPDMS-SFHVURJKSA-N 435.724 4.947 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@H]1c1ncc(Br)cn1)c1ccc(F)c(F)c1 1686174195 ZLMOOIFVWCRODD-DLBZAZTESA-N 437.288 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H]1CCO[C@@H](C)C1 1689838978 BEGYFKLWQOIFGG-HRCADAONSA-N 449.368 4.510 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1689887232 UDWXIIRXCSMVNT-IBGZPJMESA-N 434.613 4.855 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](c1ccco1)N1CCCCC1 1689947560 HYGOHUHOBATYMI-GOTSBHOMSA-N 431.584 4.710 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](CC)N1CCCC1 1689952659 OLNQKWLKTJPLQT-FQEVSTJZSA-N 437.588 4.757 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC[C@@H]1C 1690003358 LFYUWJTXVNJUSU-GHTZIAJQSA-N 429.593 4.886 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnccn1 1690240830 LATDNGMLQNTWLV-NFBKMPQASA-N 446.599 4.650 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1690364169 LAUBXKMKCMOJII-REWPJTCUSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(N2CCCCC2=O)CC1 1690436675 XGFIHMZLSIQLJK-UHFFFAOYSA-N 441.645 4.514 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1690488644 REBMMPALWNSSJW-JOCHJYFZSA-N 436.648 4.711 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)CC1 1690497733 VZTUSYVOWADIQL-IBGZPJMESA-N 434.531 4.863 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(C)ccc1F 1690512071 LOWDFNWQTMXXJY-IFMALSPDSA-N 444.595 4.873 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N1CCCCC1 1690590119 OAKGECJNXLTTSN-HSZRJFAPSA-N 442.567 4.815 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1ccc(OC)nc1 1690605246 CIXMGCVTWDCAFE-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCCCCCC3)n2CCOc2ncccc2Cl)c1 1698484184 GJCYZQPVHZHCBL-UHFFFAOYSA-N 436.947 4.715 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)c1nc(C)cs1 1705480217 PQYOKLYFYDFYFY-DZGCQCFKSA-N 431.512 4.573 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(OC)c1 1705481528 IJGNJJKQORKPDC-ZWKOTPCHSA-N 434.609 4.841 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCSC2)C1 1705512156 SXLJBTQDPLTEAK-QFIPXVFZSA-N 431.005 4.744 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1Cc1ccsc1Br 1705625625 RAIDPZOIUOLJHX-UHFFFAOYSA-N 445.361 4.807 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC1(COC)CCCCC1 1705677123 BWLXHFUMCPJWFR-RUZDIDTESA-N 436.600 4.755 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1705763426 VHFISGKVNCZFEB-NNMXDRDESA-N 426.536 4.695 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCN2CCC[C@H](C)C2)CC1 1705772483 OKQRHQNEELQYTJ-QHCPKHFHSA-N 437.632 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)CC1 1705778815 KZODZTFHVZMYAY-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1705783447 HWEXUEHJHQCQQM-SFHVURJKSA-N 442.677 4.547 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705791112 OFEHEPCGJYFVTK-JTHBVZDNSA-N 437.632 4.833 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1705807730 MONQMRFXDKZMES-UHFFFAOYSA-N 427.612 4.923 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705807775 NZOMPNJLTKSMHZ-JOCHJYFZSA-N 428.024 4.943 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1705826039 LUTNMMVBOAHKAB-XMMPIXPASA-N 448.615 4.755 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1CCC 1705834268 HOWXLXFGVAJYHC-AZUAARDMSA-N 432.012 4.958 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(N(C)C)cc1 1705837672 KTGJDZDOMSVYDD-UHFFFAOYSA-N 446.418 4.700 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 1705847721 CSOFDJOXIPTWNV-RHSMWYFYSA-N 427.515 4.645 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCCN(C)C(C)C)C1CC1 1705850527 WVHLZPNIZOLQCE-UHFFFAOYSA-N 438.439 4.654 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCc1ccccc1 1705890340 KRUJJUSXHDTJCI-UHFFFAOYSA-N 439.604 4.648 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(F)cccc2Cl)C1 1705921137 MDKRHGRRMBMUEU-HNNXBMFYSA-N 448.329 4.616 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1(OC)CCC1 1722278186 KNLWUMUXMXFLJS-LJQANCHMSA-N 431.584 4.770 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)c1ccccn1 1722287754 QOQYRWAUHSAIMZ-MRXNPFEDSA-N 438.373 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](c1cccnc1)C(C)C 1722304123 WGBQKTFXSOCTDM-FPOVZHCZSA-N 449.624 4.872 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1722321176 YIHZRGZNVOMUIK-HXUWFJFHSA-N 438.616 4.962 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722403516 UVEDJKZFIYCPIK-PKOBYXMFSA-N 447.505 4.900 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1722455229 RLWDUEPVMOKBSP-ZHRRBRCNSA-N 431.005 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1c(F)cc(F)c(F)c1F 1722515294 POELPKXCLKINFX-UHFFFAOYSA-N 439.482 4.641 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722575195 ZRZVYWMPQXTYAJ-LEDOBFOHSA-N 440.563 4.941 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1722590467 FEUYCLNTFVMZMF-WIYYLYMNSA-N 440.588 4.743 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722590824 BAASBNDZMNCVTG-DYESRHJHSA-N 434.415 4.886 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C)c1ccccc1 1722596255 GDBLMKNSFVLLOX-LUKWVAJMSA-N 438.616 4.782 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1722603340 SDCICKLBGRUEBF-JOCHJYFZSA-N 439.604 4.559 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCC[C@H]1C)C1CC1 1722653472 DDIIYEPYAIICLP-NIYFSFCBSA-N 438.616 4.861 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H](C(C)C)N1CCCC1 1722658178 ASHZMUHZMNFOQB-XMMPIXPASA-N 448.590 4.792 30 10 IJEE C=CCn1c(N(C)[C@H](C)c2ccccc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722689553 VBDMDKNFWJUXOV-QRVBRYPASA-N 425.577 4.741 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2CSC)nnc1C1(c2ccccc2)CCC1 1722739049 DMLLDUYPIMFJND-FQEVSTJZSA-N 428.671 4.999 30 10 IJEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)CC(F)(F)F 1729517838 DQKKGBPDLPUULK-IBGZPJMESA-N 448.537 4.573 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740565838 JAZRFIGBEPUWOE-HSZRJFAPSA-N 449.643 4.850 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCCCCC2)C1 1740578210 CZLAZUBECGPHAL-FGZHOGPDSA-N 442.648 4.930 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)c1ccccc1 1740582837 ISPHURSSLYTCQS-INIZCTEOSA-N 426.362 4.689 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1740733498 GQVGAUVWJLDITH-BBVWWWHTSA-N 436.600 4.609 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1C 1740753782 ODVXMHBFILMVSI-SUMDDJOVSA-N 431.378 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H](C)c1ccco1 1740758768 BSWJOIPFRXNNPO-WWEVIYMKSA-N 436.556 4.649 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H]2C)CC1 1740842807 MGWHWUSZYFEBDN-FYZZASKESA-N 443.636 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(Cc1cccc(F)c1)C(C)C 1740850646 NRYCVTORZYSYNO-UHFFFAOYSA-N 427.568 4.557 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H]1OC 1740917147 IOSFXZZLGPGHOO-PKTZIBPZSA-N 447.608 4.810 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCCC1 1740922423 GSLDJAWOGJXNSY-UHFFFAOYSA-N 446.624 4.947 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1740996303 LDOWSQPCZMAMQV-KRWDZBQOSA-N 440.617 4.608 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]2CCC[C@H]21 1749219761 ROGWHUHKHLHFLZ-TZIWHRDSSA-N 440.588 4.712 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(CCOCC)CCCC2)CC1 1749305215 PHJLPUAVAZOBEV-UHFFFAOYSA-N 429.634 4.777 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCCO1 1749355676 NFHHCUFGCWQOPU-INIZCTEOSA-N 436.398 4.643 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC[C@H]1C 1749464790 DYPFNRMDIBEYPI-CEXWTWQISA-N 432.996 4.983 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1749508347 OYDZJGLOCAAYOE-WIYYLYMNSA-N 439.604 4.888 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)cc1F 1749591837 ZXSXVQHRWNDNNC-OAQYLSRUSA-N 428.483 4.674 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C2CC(C(C)(C)C)C2)C1 1749719340 STTZOJJUWVEUCO-JRGKDQQJSA-N 430.637 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1760105222 MNOFVKIWHVVINX-NOXFTYBFSA-N 449.624 4.556 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(F)(F)F)C1 1760277546 OISRUOFUVXWFHP-KRWDZBQOSA-N 445.514 4.638 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(C)C)C1 1760326490 WSOQGHGXVZKELT-HWBMXIPRSA-N 438.616 4.937 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1760391184 UGKCKNPQKJFDQQ-PMACEKPBSA-N 443.586 4.672 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCC[C@H]2CC)CC1 1760394100 XCWMZQKUCSBFJH-YPAWHYETSA-N 429.653 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nnc1C(C)(C)C 1760415612 FWDZKQPTGBIRSM-UHFFFAOYSA-N 438.620 4.736 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCOC1)c1ccccc1 1760417883 JVQYEXCOEJMVOK-GHTZIAJQSA-N 437.975 4.826 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)CCC 1760491366 DQUXJLHJAZVCSY-NRFANRHFSA-N 433.394 4.746 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](C)CC[C@@H]1C 1760516161 WPEYKEQYIVEWJF-GJZGRUSLSA-N 444.004 4.740 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](OCC2CC2)C1 1760534000 YGIJSDQEZKBARS-QFIPXVFZSA-N 438.616 4.875 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)c2c(C)noc2C)C1 1760536486 BXXGGEVTSUANHS-HTAPYJJXSA-N 435.572 4.697 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CC1CC(F)(F)C1 1761520143 BNUQPPUEJILSTB-HNNXBMFYSA-N 433.478 4.733 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@H](C)N1CCCCC1 1761531941 GLQNRABUFZNIQA-UFYCRDLUSA-N 442.583 4.560 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(CC)s2)CC1 1766103215 HPAGUOCXSUHSAC-UHFFFAOYSA-N 448.640 4.800 30 10 IJEE COc1cc(/C=C2\SC(=Nc3nccs3)N(c3ccccc3)C2=O)cc(OC)c1O 1772736053 RSIXDVBENATKBS-FJGNPCKVSA-N 439.518 4.675 30 10 IJEE C=CCOC(=O)Nc1ncccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1858695621 HKWTWZCPRIGKLB-UHFFFAOYSA-N 429.782 4.506 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)N2CCCCC2)c1 1858720538 QSQDQRUBMKPFQZ-UHFFFAOYSA-N 436.556 4.563 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379644 HHSFYXAIQLYDFZ-BEFAXECRSA-N 432.303 4.751 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 1862413909 NNBIZXDPIAZELY-OAQYLSRUSA-N 447.453 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446305 PCFRHHNOFRXTIM-NQIIRXRSSA-N 436.895 4.579 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446681 YCUPFHHPCUWKHS-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2c(c1)OCCO2 1862549731 VTWLQXPCWJGZRR-XMMPIXPASA-N 447.531 4.571 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(Cl)c1 1862626747 GXDOMFVALIBCDE-HXUWFJFHSA-N 427.884 4.837 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(F)c1 1862661816 DDZOJILQLNZYKF-QFIPXVFZSA-N 425.500 4.954 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2ccc(F)c(Cl)c2)C1=O 1863053907 WKMPGRPYPVMXIZ-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863123563 UYBCDDSGAHHLLJ-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCC3)C2=O)cc1 1863343632 HTMVJQKKTKWMQU-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(C[C@H]1COc3ccccc3O1)CO2 1871353820 XTHUBSWATZQGNL-BTMMFNIDSA-N 441.483 4.603 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4F)cc(C)c3C2=O)o1 1871443571 YHNIEGAGPYLRDU-LSCVHKIXSA-N 443.377 4.947 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871458784 LVPNZYNQKMZIDJ-MYYYXRDXSA-N 442.515 4.949 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872254062 MLAQUIZDSCSEMA-NRFANRHFSA-N 426.563 4.613 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872296265 HSDCJGKZWUSKGH-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)cs1 1872764556 QCCQTXAALAMSNT-OAHLLOKOSA-N 430.316 4.723 30 10 IJEE Cc1ccc(C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2Cc2ccco2)cc1C 1873765807 COPYLEYKGLGCQU-UHFFFAOYSA-N 443.528 4.690 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c1 1874459183 AJGXXAQVWRFJJE-LSFURLLWSA-N 425.367 4.519 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(F)c2)nnc1C(F)(F)F 1874461157 YZNOTSDJBQJIAW-LIMNOBDPSA-N 430.814 4.970 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCC(=O)Nc1nccs1 1874571881 LEMUIJZNICMXOK-VAWYXSNFSA-N 448.544 4.944 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875094141 DAEWPGGVXVSSGZ-MDZDMXLPSA-N 442.424 4.749 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 1875103917 WXQFNZBVDHRIIY-LFYBBSHMSA-N 448.471 4.836 30 10 IJEE CC(C)C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Br 1875146332 PGTKTRLQAUYSPX-ZZXKWVIFSA-N 431.282 4.678 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)cc2)c(OC)c1OC 1875194105 KMSDGGOJZTXTGL-YRNVUSSQSA-N 433.460 4.531 30 10 IJEE CC1(C)OB(C2=CCC[C@@H]2NC(=O)C2CC3(CC(OCc4ccccc4)C3)C2)OC1(C)C 1887442026 QLQOKHXPEZGVGT-LIXDOMSWSA-N 437.389 4.598 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 1890933324 NBYDCOZGNLDEHO-HNNXBMFYSA-N 449.370 4.999 30 10 IJEE CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)[C@H]1c1ccccc1 1892383469 YVKKTXAQZIWURD-IZZNHLLZSA-N 449.554 4.681 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(F)cc(Br)c2)NCC)C1 1892694137 ABKTVRXHYZHFEU-KRWDZBQOSA-N 427.358 4.722 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1976670397 LDBRZPZKEDAHLT-KBPBESRZSA-N 435.487 4.571 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1991570811 FYAXFKWJDYGLHS-AUUYWEPGSA-N 435.487 4.715 30 10 IJEE CCC[C@]1(C)CSC(=Nc2ccc(I)cc2Br)N1 2029945311 NNBPYNQTOWKWGP-CYBMUJFWSA-N 439.160 4.936 30 10 IJEE CCC[C@]1(C)CSC(=Nc2cc(I)ccc2Br)N1 2029946622 VDWMOLPFKCGCSV-CYBMUJFWSA-N 439.160 4.936 30 10 IJEE C=C(COCC)[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041899204 GWWNZUZZWKPWJW-BVAGGSTKSA-N 446.632 4.791 30 10 IJEE CNC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2Cl)cc1OC 2042452642 UVBFHDBJJIBZKW-UHFFFAOYSA-N 428.699 4.676 30 10 IJEE O=[N+]([O-])c1c(Br)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1C(F)(F)F 2079166176 YHGHLDFAHZFLQC-UHFFFAOYSA-N 436.081 4.779 30 10 IJEE C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)CCCc3ccc(o3)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C 2080455781 OTRBDQHTTQBOAZ-YPCMEHOXSA-N 445.603 4.976 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2118187560 KLKQDTZJELXPKH-AWEZNQCLSA-N 426.330 4.734 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c2nsnc12 2137387085 NVYFIYBLBIMLIO-KBPBESRZSA-N 441.395 4.574 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccc(Br)cc1C#N 2174569225 XHVFUCKFSCVWBZ-MOPGFXCFSA-N 434.378 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C#N)C[C@H]1CC(F)(F)F 2176103532 SSGBKGRPNVLUMN-CQSZACIVSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181146192 LFDICOWGIKZMDI-YWZLYKJASA-N 436.350 4.733 30 10 IJEE C=C([C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221675206 WAYKCDIERIGBME-IRXDYDNUSA-N 428.443 4.679 30 10 IJEE CCCC1(C(=O)Nc2ccc(C#N)cc2Br)CC(NC(=O)OC(C)(C)C)C1 2233460120 GAKOGUBMDBAVAN-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](C#Cc2ccccc2Br)NCC)C1 2235727806 ZGGHTRHRAJKVKP-IBGZPJMESA-N 433.390 4.640 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]12CC[C@@H](CN1C(=O)OC(C)(C)C)C2 2235729729 NLKHEUJICDFKQO-WVBUVRCRSA-N 433.390 4.568 30 10 IJEE CCC[C@]1([C@H](O)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235735048 SHEJVBVSSYFCQR-KNQAVFIVSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@@H](N)C#Cc3ccccc3Br)cc21 2235748178 XIPXNTWTUXRNIG-IBGZPJMESA-N 427.342 4.798 30 10 IJEE CC1(C)OB(c2cnc(Sc3cc(F)cc(F)c3)c(Br)c2)OC1(C)C 2266622698 DCAXQEWSUMVCGM-UHFFFAOYSA-N 428.107 4.573 30 10 IJEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C1CCCC1 2267014402 YKEZPMULFYADNW-UHFFFAOYSA-N 436.405 4.953 30 10 IJEE CCOC(=O)c1ccc(N=C2SC(=Cc3ccc(OC)c(OCC)c3)C(=O)N2C)cc1 2293752371 AGIXRDBRTPCZLU-UHFFFAOYSA-N 440.521 4.504 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1CC(CNC(=O)OC(C)(C)C)C1 2296293815 NJWPYFORFBCLAD-QLOJAFMTSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C(F)(F)CN(C)C(=O)OC(C)(C)C 2296308320 GLXLKAZHZWVAED-QGZVFWFLSA-N 445.348 4.671 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2296309105 QMYVDKJVJBHICX-FAGZOMQFSA-N 433.390 4.602 30 10 IJEE O=C(Oc1ccc2c(c1)OC(=CC1=Cc3ccccc3OC1)C2=O)c1ccc2c(c1)OCO2 2296868519 OZIDDBQPOCEBOI-UHFFFAOYSA-N 440.407 4.570 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2321854416 CWUVJXADSJKYOA-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE Cc1ccc(OCc2nnc(S)n2N=Cc2cccc([N+](=O)[O-])c2)c(C(C)(C)C)c1 2322260394 LWALRDJBSKSVAJ-UHFFFAOYSA-N 425.514 4.542 30 10 IJEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2323231710 FYBZCQQVYDPLII-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2OC)o1 2323743412 VCWPIWILOOCCQQ-UHFFFAOYSA-N 428.387 4.828 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OCCCO 2324379214 LOHCUKMZGPIZQH-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747708 QNPZBVBYXLHHSS-UHFFFAOYSA-N 438.382 4.574 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccco1 2330054917 DKXGNHHQKHRRPF-QGZVFWFLSA-N 431.521 4.636 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(F)cc1 2331324263 BJYMIPZFYLOXGN-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1C 2331396575 QPLATLDNUXGOOA-UHFFFAOYSA-N 444.483 4.955 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2OC)cc1 2331684461 DCDLVNKIBCFBTM-UHFFFAOYSA-N 437.569 4.586 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)c(C)c1 2332190585 YLGTZLTYPOBNOQ-UHFFFAOYSA-N 435.487 4.635 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339604381 OLUQGSNOOUSBEX-XYDKVEKUSA-N 443.397 4.562 30 10 IJEE N#Cc1cc(Br)cnc1OCc1cc(I)ccc1Cl 2352243629 UWCRHRNESHJCBL-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2cnn(C3CC3)c2)cc1Br 2366019118 XZPSHVYRGQEGJF-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE C#CCNC(=O)Nc1c(-c2ccc(Cl)cc2)nn(-c2ccc(C(F)(F)F)cc2)c1N 34785711 BKCZATDZCVDKOF-UHFFFAOYSA-N 433.821 4.548 30 10 IJEE CCCc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)nnn1-c1ccc(Cl)cc1 40179930 CCXOQLRLHNEDPT-UHFFFAOYSA-N 425.945 4.937 30 10 IJEE C=CCc1ccccc1OCCCn1c(CNC(=O)c2ccccn2)nc2ccccc21 40184822 XVFBBQOIBNBYTJ-UHFFFAOYSA-N 426.520 4.559 30 10 IJEE CN1/C(=C\C(=O)COC(=O)/C=C\c2ccc(OC(F)F)cc2)C(C)(C)c2ccccc21 103065114 QKJJJJLUPNBVSN-UXMUESAKSA-N 427.447 4.725 30 10 IJEE COc1cccc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)c1OCc1cccc(Cl)c1 169936663 YYSUKVPZVXWWIZ-NRFANRHFSA-N 442.968 4.796 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1 169997644 JNFOSUMFMJIQDB-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)c1 170069154 NVSGCGVCCLNEMP-NRFANRHFSA-N 448.406 4.525 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170077088 RTXHAZQKSAPGSY-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(N(C)C)cc1 170129762 DHDWWINSRYMWHN-QFIPXVFZSA-N 440.515 4.669 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(C)c2)cc1 170143445 KWKURTXGQKWPFD-GGAORHGYSA-N 435.520 4.541 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)c1 170205795 RDYFPHRLWKHJOP-QHCPKHFHSA-N 439.471 4.525 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(Cl)c1 170220063 PSLOONKMNTXOOX-NRFANRHFSA-N 425.912 4.913 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)c1 170230610 VWUOQAWGGZZHLP-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 170246881 XIGRMHYHTLQKOR-IBGZPJMESA-N 438.436 4.574 30 10 IJEE Cc1ccc(NC(=O)c2c(N)n(N=Cc3cccs3)c3nc4ccccc4nc23)cc1 254808586 SRTFQIHOIKQBCY-UHFFFAOYSA-N 426.505 4.671 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCC 407631373 WUDZWALOXATWNZ-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC(C)=C[C@H](C)C2)c1 435997930 UZPYXXDSCJVFKY-KRWDZBQOSA-N 444.984 4.760 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCN(c2ccccc2)CC1 460773494 KSKGLIRKRRNAPZ-DQEYMECFSA-N 443.595 4.816 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1CCN(c2nc3ccccc3s2)CC1 477258829 LOAGKNANCMZXKT-UHFFFAOYSA-N 443.494 4.699 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@H]2C(F)F)nnc1-c1ccc(Cl)cc1 500651527 HPOKDGHJBXYXLR-HNNXBMFYSA-N 426.920 4.523 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 508854512 DBEZHWLPCXRMDG-QHCPKHFHSA-N 443.595 4.713 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 519071897 MRWDWTXOZFQIDZ-UHFFFAOYSA-N 433.224 4.515 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526517584 UTVNEJJBWPBECS-XMMPIXPASA-N 425.488 4.690 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@H]1c1cccc(O)c1 526519902 CJCINOFAFSHCSH-QHCPKHFHSA-N 442.471 4.728 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 549271913 VGHAZRVTAHBFQK-KRWDZBQOSA-N 438.557 4.832 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2cccc(C(F)(F)F)n2)cc1OC 550223956 SNIUOAKAVYZEOI-UHFFFAOYSA-N 445.279 4.769 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H]2CCCCO2)CC1 555484435 PYBODEFUHQTBBO-IBGZPJMESA-N 439.629 4.975 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(Nc2cccc(C)c2)CC1 559004351 NCCZVYBOMJZFRE-DEOSSOPVSA-N 429.568 4.920 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 669815817 BIDACPPIXGWKJB-XWGVYQGASA-N 430.552 4.744 30 10 IJEE C=CC[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccncc1 788227202 ZSUSFHUQMPVLLD-RTBURBONSA-N 444.963 4.828 30 10 IJEE N#Cc1ccc(N=c2scc(-c3cnccn3)n2[C@H]2CCO[C@H](C3CC3)C2)cc1Cl 803193613 AXMVXQUGTARIIE-UWJYYQICSA-N 437.956 4.894 30 10 IJEE C[C@@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCC2 853916380 DTHGVAHDWMBIAN-GFCCVEGCSA-N 434.970 4.565 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1 1084417557 CWYTWKGZPIXGGM-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)cc1 1125086880 JQFQYFCHNKBRPF-UHFFFAOYSA-N 449.306 4.530 30 10 IJEE CC(C)(C)OC(=O)NCC1(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 1125305876 GAOKYQBMKYAJQP-UHFFFAOYSA-N 449.551 4.965 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 1130940198 OOFBCWPAOTVLDW-UHFFFAOYSA-N 441.000 4.852 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 1134658624 KBCMBGZDPZYLSQ-WJOKGBTCSA-N 442.581 4.949 30 10 IJEE C#CCCNC(=O)C(Cc1ccccc1Br)Cc1ccccc1Br 1136769476 MRVQVBVBWIUUCC-UHFFFAOYSA-N 449.186 4.753 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1147165335 GHPRGHBTJGWEMG-AUSIDOKSSA-N 440.565 4.555 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Nc2nccs2)cc1F)c1ccc(Br)cc1 1159634708 QWBLMOSSYBZPSB-QGZVFWFLSA-N 430.302 4.893 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(C)sc2c(C)cccc12)c1ccc(Br)cc1 1190717086 YORUCSRKGSNPHH-KRWDZBQOSA-N 434.380 4.933 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CC2(CCOCC2)Oc2ccccc21 1203471377 NXENZNPNAYRXAO-FQEVSTJZSA-N 442.353 4.624 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cnc2onc(CC)c2c1)c1ccc(C(F)(F)F)cc1 1211147110 COBPNPLREGWBGV-SFHVURJKSA-N 439.459 4.790 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1F 1212071810 DTCPUWJGYLPCDL-JOCHJYFZSA-N 444.915 4.587 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CCCc2ccccc21 1220478439 ZDFAETAXFZDCQO-FTJBHMTQSA-N 431.580 4.555 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(SC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1246123655 HIHZERXSUJEZGK-KRWDZBQOSA-N 431.602 4.514 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2cccc(Oc3ccccc3F)c2)CC1 1252626339 HHRKFOPQMGOXOB-UHFFFAOYSA-N 448.473 4.661 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)C1 1252682397 DAEWEFIZIKWDNX-CTNGQTDRSA-N 425.573 4.578 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSCC1 1286631855 ZIGCEHHFKSVGGF-UHFFFAOYSA-N 427.401 4.557 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1286664968 NFCLAKWKIRCSTM-ZRZAMGCNSA-N 435.660 4.834 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1286677713 IGBKFEWDBVZBMK-SWUCNREESA-N 438.616 4.987 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1286689915 GRQYQPXHWCIIGA-LEWJYISDSA-N 426.561 4.845 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnn(CC)c1 1286693846 CAPVQAVZVRPMFZ-UHFFFAOYSA-N 443.393 4.835 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCCOCC1)C(C)C 1286751267 OLRDEGYNUXOTKN-JOCHJYFZSA-N 444.023 4.524 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@H]1OC 1286752875 LDSGILVMSTXECM-HNAYVOBHSA-N 449.368 4.840 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCCC(F)(F)F 1286763785 UDRBMWYSBWWUPH-UHFFFAOYSA-N 429.446 4.987 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2ccco2)C1 1287736511 AGLBESVPCKDJKV-UNMCSNQZSA-N 446.599 4.975 30 10 IJEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)cs1 1292700978 DHJCJTDQMKHGAV-QGZVFWFLSA-N 434.613 4.951 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F)C(C)C 1292958648 YMWMVDCKEGPWEB-FQEVSTJZSA-N 434.506 4.628 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1300352297 IPXHFMYHMKLAFG-VQIMIIECSA-N 427.474 4.931 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(Cl)nc1 1300638659 TTZCQJMVZCVBLN-UHFFFAOYSA-N 437.975 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1300896853 KUGOKZULPIRDFM-YDHSSHFGSA-N 442.579 4.850 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1301201921 BINZIXAVDDVGJB-PMACEKPBSA-N 441.595 4.834 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCN(C(C)C)C1 1301278700 PBVFZSMJDATRPT-OAHLLOKOSA-N 438.439 4.512 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1CCCCC1 1301380583 GSYWHKGIAZPIEE-UHFFFAOYSA-N 432.616 4.880 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC1(OC)CCC(C)CC1 1301420576 GFMXTZCJZPJJNM-UHFFFAOYSA-N 432.996 4.833 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC=CCC2)C1 1301542150 KPVNXQFVSGAVEE-HOTGVXAUSA-N 449.418 4.907 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[C@H]2CC)C1 1301568912 ZBLHPLYJBYFXQG-PVIWCNJMSA-N 430.637 4.804 30 10 IJEE C=CCSCCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301620739 JRYCCYWYQTWJHW-BJKOFHAPSA-N 446.661 4.565 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1303641827 DYRPLEVMHFNOFA-CQSZACIVSA-N 433.940 4.692 30 10 IJEE C[C@@H]1C[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C(=O)OC(C)(C)C 1306263223 GLSVQPGZICFHLN-CRAIPNDOSA-N 440.569 4.580 30 10 IJEE C=CCn1c(SCc2cc(OC)ccc2Cl)nnc1[C@H]1COc2ccccc2O1 1307263208 BHNPKBUZVNXROH-LJQANCHMSA-N 429.929 4.931 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCc2cnn(C3CCCC3)c2-c2ccccc2)C1 1308671205 FHBWKYPGDXKEEE-KNQAVFIVSA-N 435.572 4.514 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 1310739192 CJCQIUGPRBKHAO-UGSOOPFHSA-N 425.476 4.562 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@H](C)C1 1316091322 HBWMTESFPCEBCQ-NQIIRXRSSA-N 433.556 4.807 30 10 IJEE C#CCCOc1ccc(C(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 1353907067 JEHMGZMNQJOUNX-UHFFFAOYSA-N 429.516 4.949 30 10 IJEE CCc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)nnn1Cc1ccccc1 1354496008 FWGSHXSJBIAVAD-UHFFFAOYSA-N 438.491 4.509 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2C1 1358912225 LNOJRGUKLPZLNL-JOCHJYFZSA-N 449.599 4.716 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccccc1C 1358922042 RNMWMQDTLMHHIK-KRWDZBQOSA-N 440.389 4.965 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1CCc1ccc(Br)s1 1359010924 FCIPJQLBTSNJOJ-UHFFFAOYSA-N 443.414 4.704 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1cn(CCCC)nc1C 1359014915 BPZPDLTXNZEYPI-UHFFFAOYSA-N 436.579 4.708 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cc(Cl)ccn1 1359148179 GIERCIHLZAHNLT-UHFFFAOYSA-N 440.338 4.568 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1359200585 KSFGKLCWGCQZPE-UHFFFAOYSA-N 448.527 4.652 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)Cc1cnn(C)c1 1359210894 MAWTXAKQJFKXQB-UHFFFAOYSA-N 443.393 4.742 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCN(C(C)C)C1 1359234167 GHIDYMZPAFUUQL-RBUKOAKNSA-N 427.662 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1c(CC)nn(C)c1CC 1359234635 VLXIDUZXPWWJQM-UHFFFAOYSA-N 438.645 4.804 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCc1csc(C)n1 1359261172 YSMFDHORTSKVJW-OAQYLSRUSA-N 441.576 4.859 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(-n2cccn2)cc1 1359929404 FHOOECVQDPKFDZ-QHCPKHFHSA-N 447.587 4.520 30 10 IJEE C#CCN(C(=O)c1cc(F)c2ncccc2c1)[C@@H]1CCOc2ccc(Br)cc21 1360310722 KJPDZZJPRORFRB-LJQANCHMSA-N 439.284 4.736 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)Cc2cccnc2)cc1 1435107466 FKFZXBKDGBRIQT-QGZVFWFLSA-N 430.533 4.767 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1436276053 STBMGPNQDVSSBX-QMMLZNLJSA-N 425.529 4.658 30 10 IJEE C=CC[C@]1(C(=O)NC/C=C/c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1436449820 PMGIWKZUMKJQFA-XOPAWIAISA-N 449.389 4.924 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1449317215 LDLXRVGYVGKPHB-MGPUTAFESA-N 436.955 4.943 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncc(-c2ccc(Br)cc2)s1 1460585023 CQTTYNRJKHNPBL-GFCCVEGCSA-N 428.311 4.850 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)ccc1Br 1463722533 GRQIMHWPMHYZBP-KRWDZBQOSA-N 443.725 4.543 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc(CS(=O)(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 1464238771 ITEJLLWESMZNPS-HSZRJFAPSA-N 436.533 4.545 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCN(c2cccc(F)c2)CC1 1466816607 JMFFIESBCFAOIK-UHFFFAOYSA-N 448.336 4.944 30 10 IJEE C#CCC1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)CCCCC1 1467591352 AKOHNCFWAXVSKC-UHFFFAOYSA-N 428.529 4.847 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(Br)cc1 1468451698 SCFBJHFOWNHJNJ-HXUWFJFHSA-N 433.305 4.806 30 10 IJEE C=CC[C@H]1N(C(=O)NCCCC(=O)N[C@@H](C)c2ccc(OCC)cc2)CCCC1(C)C 1469281045 HHYRPWSDBBKBEI-SIKLNZKXSA-N 429.605 4.819 30 10 IJEE C=CC[C@H](NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O)c1ccncc1 1472513544 RPBBIDPHQDFQJF-HNNXBMFYSA-N 437.714 4.980 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccc(C(F)(F)F)cc1 1478271337 AWQFEBPBHVXCHC-UFYCRDLUSA-N 440.506 4.722 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(Br)cc1OC)c1ccc(Cl)cc1F 1478447132 FHDIRHVQIYZMKY-DIFFPNOSSA-N 439.712 4.985 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1sccc1C 1495638079 DVNXZNFPANRSON-IBGZPJMESA-N 448.640 4.993 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCCCC1 1501280088 CRUBZJHTOFQARX-UHFFFAOYSA-N 430.556 4.818 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1507578151 VTCAFKOZEANWBO-OAQYLSRUSA-N 440.035 4.960 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cscc1C(F)(F)F 1507609504 ZAORVDVRBHOWDS-UHFFFAOYSA-N 440.878 4.805 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1507789960 ROFJXZYQRXNIEE-UTKZUKDTSA-N 431.378 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC1(O)CCC1 1507815423 BARHLGCXUONRBE-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1507928125 AEARHFPBRGQAMN-VQTJNVASSA-N 447.624 4.712 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1507928956 NCOIIYXTDRHGDE-QHCPKHFHSA-N 444.627 4.544 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(Nc2cccnn2)CC1 1507932162 NMTAKSJLFXUOKC-UHFFFAOYSA-N 437.979 4.826 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)c1nccs1 1507938804 CXQNNMATEFXPNG-ZDUSSCGKSA-N 435.395 4.698 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1507939918 UDFKERZHBFLEIZ-MSOLQXFVSA-N 431.378 4.537 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCCCC2)C1 1507965337 RJPLVOGXMMQBJE-UHFFFAOYSA-N 430.543 4.900 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCC1=O)C1CC1 1507991487 YKWLOKPRMUPQFS-UHFFFAOYSA-N 448.398 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CCc1nccs1 1508007369 AXIJKHCFDJGFBY-UHFFFAOYSA-N 442.639 4.587 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CCc1ccc(Cl)s1 1508035630 BOKUGJNVVZQTMP-GOSISDBHSA-N 432.977 4.915 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C(F)(F)F)C1 1508132747 ZPRYBUDJDOAZQZ-SFHVURJKSA-N 447.505 4.651 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)C1(c2cccc(C#N)c2)CC1)C1CCCCCC1 1518022990 HTQCHDHHCIQOHR-UHFFFAOYSA-N 425.573 4.666 30 10 IJEE CC(C)Oc1cccc([C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1523048797 HJYNXFOUVLAPSF-CRAIPNDOSA-N 426.900 4.656 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1OC 1524952478 MURJLSOUZXRBGZ-BDRVKDSSSA-N 428.326 4.708 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ccc(Br)c(C)c1 1525050018 JDVHVFSCRXCBKJ-UHFFFAOYSA-N 447.325 4.819 30 10 IJEE CC(=O)N[C@@H](C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)C1CCCC1 1525661313 HGMPXFYDLPWLAW-OAQYLSRUSA-N 427.957 4.996 30 10 IJEE Cc1ccc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(O[C@H](C)CC(C)C)c1 1525876162 FOUPAJVXPBRJIC-KNQAVFIVSA-N 437.559 4.962 30 10 IJEE C#CC[C@]1(C(=O)Oc2cccc(OCc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1526088339 QSOBIOJDVRBIQE-AREMUKBSSA-N 435.520 4.964 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)[C@@H](C)CC)ccc1Cl 1532268499 JOMDJJRRZCCBNT-KRWDZBQOSA-N 434.989 4.982 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 1533599865 VEFIRBVYHZCEHS-HXUWFJFHSA-N 449.469 4.896 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC)c1ccccc1 1537431126 XMGYTYMRAHIWGJ-XMMPIXPASA-N 437.499 4.661 30 10 IJEE C#CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CCCc2ccccc21 1538323461 CBBLRBFADAZJJB-SFHVURJKSA-N 428.326 4.619 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1538532147 WMBXBDDYQWQGRJ-LJQANCHMSA-N 437.359 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCOC[C@@H]1C 1538985986 HISIPIGIJXXLCY-JENIJYKNSA-N 438.572 4.943 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CC)C1 1539527262 ZIBMVTVCRZMRFJ-IBGZPJMESA-N 426.630 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccs1 1539682010 BAPJZSGBUUPSLU-CALCHBBNSA-N 431.606 4.561 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1539690828 PDFJVAFKRDMMFA-GOSISDBHSA-N 431.968 4.620 30 10 IJEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC(C)C)C(C)C 1539798337 FANDVPUDDAVUKB-UHFFFAOYSA-N 442.995 4.688 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1539855875 LABJRDYYZNCUKI-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C 1539908781 AEEDWXDOMOLBBV-AWEZNQCLSA-N 436.387 4.521 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCc2cccnc21 1540062773 XKYFGGRNDYIHAX-QGZVFWFLSA-N 438.373 4.845 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCN(CC)C1)C1CC1 1540114060 HIOZOTVCJPDBBM-FQEVSTJZSA-N 437.632 4.651 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCO[C@@H]1CCCC[C@H]1C 1540120754 GMQFMIJWHOWIBJ-HYBUGGRVSA-N 444.583 4.933 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(-c3ccccc3F)nnc2N2CCC(CC#N)CC2)(N(C)C)C1 1543874209 CQITZNAEKCMTKV-KBMIEXCESA-N 438.595 4.725 30 10 IJEE C#CCN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)OC(C)(C)C 1545457579 KPVLWTSXBSRYGL-UHFFFAOYSA-N 430.907 4.633 30 10 IJEE 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C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCSC(C)(C)C1 1722454423 CCRPKQCNDBKLOE-UHFFFAOYSA-N 428.671 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(CN2CCCCCC2)CC1 1722492295 RMYRSWMHCFPFNO-QTJGBDASSA-N 443.680 4.865 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1722494083 LLVMIIZUSCCAOV-IIBYNOLFSA-N 446.473 4.881 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccco1 1722494755 NQNJAOLYKOYJKT-FXAWDEMLSA-N 444.482 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(CC(F)(F)F)C1 1722512418 CIXFEXXSEHGVOP-INIZCTEOSA-N 441.929 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](CCC)OC 1722515939 PNUVLTCUMCJQID-PMACEKPBSA-N 449.640 4.610 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@H]1C[C@H](F)C1 1722516456 XDMQZXCWUCSPND-KESTWPANSA-N 449.615 4.933 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2c(C)noc2C)CC1 1722570206 XKTJQKOLJSCVDM-INIZCTEOSA-N 425.508 4.561 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1722578029 WQENFDAUNQDOLG-UHFFFAOYSA-N 440.588 4.802 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](COCC)C1 1722588125 KUBSRAXGRXESGX-KNQAVFIVSA-N 440.588 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)CC2CC(F)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722593283 LZQCTTWAYPZBCX-GLJAMUPPSA-N 449.615 4.835 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722612650 KCOYTGWIELFWQG-UHFFFAOYSA-N 435.616 4.704 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722615323 NDONHGQSCSASQT-VQTJNVASSA-N 429.609 4.641 30 10 IJEE C=CCCCn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722623558 VIPAIBOESKTOGG-HOYKHHGWSA-N 428.552 4.548 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)nc1 1722657961 DAVGKVAOEBWVPD-UHFFFAOYSA-N 430.943 4.553 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CCc1ccc(F)cc1C 1722674757 FUQVMCXUDAJKKZ-UHFFFAOYSA-N 431.515 4.858 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722683135 HAHJRDNBFSWQJT-GOSISDBHSA-N 446.523 4.980 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC1(C)C 1722688420 BWPLKHOCAOMDII-INIZCTEOSA-N 431.378 4.844 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCSc1nccs1 1740544538 HHQLMNHPEPPIMI-INIZCTEOSA-N 436.610 4.534 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1ccc(Cl)s1 1740662678 PNBXPSKJODFSKA-UHFFFAOYSA-N 436.972 4.752 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740709444 NOGWTICHLSBNTR-SLFFLAALSA-N 442.604 4.940 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC2(CC2)C1 1740721275 DHNFWIBCJCXFAY-UHFFFAOYSA-N 438.641 4.901 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1740721560 MJJRZUWZRPOGBM-QGZVFWFLSA-N 433.021 4.749 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CCc1nc2c(s1)CCCC2 1740771009 OOIRPQSHPUNJNS-UHFFFAOYSA-N 437.613 4.934 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1740820873 VETFFAKDJQLPHH-SFHVURJKSA-N 428.993 4.514 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740860972 WRZXCMPSDOOZJP-LJQANCHMSA-N 443.592 4.896 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740864577 BRDONVMRLGVGCO-UHFFFAOYSA-N 446.599 4.546 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(OC(C)C)cc1 1740892929 QWKPFVAMYLTJKG-UHFFFAOYSA-N 444.377 4.504 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](CC)N1CCCC1 1740903892 PLIPPRXDZUXRQV-NRFANRHFSA-N 425.621 4.651 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC(C)(C)C)C1 1740970125 FGQCIDXWYIPCOI-NRFANRHFSA-N 439.604 4.755 30 10 IJEE Cc1ccoc1Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N 1742071278 CQCHBWRJFIPNCI-OAHLLOKOSA-N 432.553 4.923 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1cccs1)N(C)C 1748655465 YREXPYAYWVROOC-KDOFPFPSSA-N 431.968 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1CCCC[C@H]1C 1748657796 JMDRODONLXGRMZ-LEWJYISDSA-N 430.600 4.606 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1748699359 OFQWHUMCABDQKA-AKIFATBCSA-N 435.616 4.511 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1748917951 RPKLVGHCIDIAIJ-QFIPXVFZSA-N 433.625 4.866 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCC1(F)F 1749071800 RYPRSWFLEGPQIQ-AUSIDOKSSA-N 428.527 4.695 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)CCC)CC1 1749331725 VQTPXBMBZJJSSQ-IBGZPJMESA-N 439.423 4.723 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1749367037 PGFXYERIDWAEJH-OAQYLSRUSA-N 445.558 4.727 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(C(F)(F)F)c1 1749387325 YFIXGPYAUUBKEU-GOSISDBHSA-N 437.510 4.817 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC=C(Br)C1 1749414352 CQEGRXBBYQRDNV-UHFFFAOYSA-N 439.361 4.790 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1749512132 TXZHOQRQUQUFMX-SJORKVTESA-N 445.405 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H](OC)C(C)(C)C 1749553191 FQGVUPFOVVEFCT-HXUWFJFHSA-N 425.602 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)C 1749578893 HQOMHEMCMBMXJC-NLFFAJNJSA-N 433.600 4.980 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749615924 FFWAMMCERBKOBF-MSOLQXFVSA-N 429.996 4.568 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC2(CCC2)C[C@@H]1CC 1749627150 GDDDYQNXEWZFRR-MOPGFXCFSA-N 429.609 4.738 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1749754941 TXQOZYDRDXTCGV-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N1CCC[C@@H](C)C1 1752138986 CRMJIQBJLXGYHW-IXDOHACOSA-N 432.975 4.596 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCC(OC)CC1 1760238834 LYGXYKPZMLDIRR-UHFFFAOYSA-N 433.021 4.889 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760316531 TYFOUDSWCYXDPK-IQYLVTRLSA-N 448.970 4.847 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1760346887 MQISMGYNKWXLEO-VXKWHMMOSA-N 437.632 4.544 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1760379888 LSVIMJDITYWREW-UHFFFAOYSA-N 429.735 4.518 30 10 IJEE C=C1CCN(c2nnc(-c3cccc4cccnc34)n2CC[C@H](OC)C(F)(F)F)CC1 1760385906 CWCFUIDJBSUQIV-SFHVURJKSA-N 431.462 4.617 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)[C@@H](C)CC)CC1 1760393472 RIXQGPGKVGCLIS-SLFFLAALSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1 1760430164 AUMWLIHOGDTFDC-INIZCTEOSA-N 425.524 4.552 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](COCC)C1 1760434840 OLXPXOGSQDIREY-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760435039 VMKUYSWCNSWYNI-MLGOLLRUSA-N 432.849 4.860 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)ccc1OC 1760457138 HYGJQTQPTOXWDR-HNNXBMFYSA-N 426.561 4.950 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C)cs1 1760485560 INUMMEOQMUNMPJ-UHFFFAOYSA-N 432.578 4.884 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(C)CCCS1 1760500561 NUKWYSWAHROHQL-DEOSSOPVSA-N 437.613 4.726 30 10 IJEE CC[C@H](C)c1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@H]1CCCCS1 1763548990 HAWZOCWOVLLUJS-GHTZIAJQSA-N 427.618 4.602 30 10 IJEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)CCCOc2ccccc2)cc1 1858898676 LQAYNSIIRAMDRR-UHFFFAOYSA-N 429.476 4.645 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862518502 LMBMIQVWCINYDY-OYHNWAKOSA-N 439.508 4.566 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(O)c(OC)c2)cc1 1862531632 RCEMQPMUYUCWSU-DEOSSOPVSA-N 443.499 4.742 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 1862535533 FBWNPPYFWPVWFU-LAUBAEHRSA-N 425.912 4.660 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 1862550037 ASXGSAHSYHZFIG-QFIPXVFZSA-N 432.907 4.743 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Br)c1 1862565606 BNONIFQNEGCBTN-IBGZPJMESA-N 443.341 4.656 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc2ccccc12 1862573380 AXZGZMIBWAWQAM-HSZRJFAPSA-N 429.472 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Cl)c1ccc2c(c1)OCCO2 1862607551 RPGLHBNGOPCSSE-OAQYLSRUSA-N 439.895 4.632 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1F 1862636718 MURICQNUAIJTKD-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H](C)O)cc1 1862656130 WWJAWXWJTLVTAA-BXKMTCNYSA-N 445.515 4.588 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(F)c1 1862661710 FXUAACNYZRZKDZ-JOCHJYFZSA-N 425.500 4.952 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(F)c1 1862703302 TYUAJVWMAQBWBW-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2c[nH]c3ccccc23)C1=O 1863122839 XFOAJHXMGYVGGD-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2c[nH]c3ccccc23)C1=O 1863817643 MEXTZGHULGFKKB-UHFFFAOYSA-N 438.616 4.540 30 10 IJEE CC(C)COc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)cc1 1870153706 CCDRJGWSIOMVCV-UHFFFAOYSA-N 430.295 4.733 30 10 IJEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CN1CCc2ccccc2C1 1870636339 WOGYXVAUUKJSOS-UHFFFAOYSA-N 438.930 4.964 30 10 IJEE C=CCOc1cn(CCCCCO)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870812844 LNYUISCUUBESBI-UHFFFAOYSA-N 432.564 4.779 30 10 IJEE C#CCOc1cn(CCC)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1=O 1871004842 BEXCPZXZHIDLLH-UHFFFAOYSA-N 432.364 4.920 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872022708 NEJXLOVCQDLPQC-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770565 XYKTXEMPVABZQX-AWEZNQCLSA-N 430.316 4.723 30 10 IJEE COC(=O)c1nc(-c2ccc(C)cc2)oc1N/N=C/c1cccc(OC(=O)c2ccco2)c1 1873461838 AIVGFHBVXOQPEJ-AFUMVMLFSA-N 445.431 4.695 30 10 IJEE CCCCCCCCCCNC(=O)CCCc1nnc2ccc(N3CCCCC3)nn12 1873937172 ZNNGFBRZPKPIOI-UHFFFAOYSA-N 428.625 4.694 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874236390 GXMHDAGGXUGPQC-MFKUBSTISA-N 447.564 4.908 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874266646 HQJUPKCEXDHARN-FOKLQQMPSA-N 444.944 4.775 30 10 IJEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(Br)ccc1O 1874358110 PGOOWJWIASOZOI-WSDLNYQXSA-N 445.386 4.948 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)ccc1O 1874447496 DDTWOFIPAGSVQK-PGLVWIQMSA-N 438.553 4.717 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)cc1 1874459636 XFKHTPREKLIWNK-LSFURLLWSA-N 425.367 4.519 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(F)cc1)c1ccccc1 1874468382 GFSHTVTWLWYYTD-FRQJIFLKSA-N 449.511 4.529 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)c1 1874493560 SYZCWWCBNNAEHC-BUVRLJJBSA-N 435.553 4.557 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)N[C@@H](C)c1ccccc1 1874584553 UNEPRGYGBRPJLN-QCUIPMNBSA-N 433.479 4.987 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3)c2)c(OC)c1OC 1874717162 BQJQJTPXBGUIPJ-WYMLVPIESA-N 432.472 4.757 30 10 IJEE C=CCn1c(C(=O)N2CCC[C@@H](C)C2)cc2c(NCCCCc3ccccc3)ncnc21 1875229764 FEROAHHDNSWVFZ-HXUWFJFHSA-N 431.584 4.924 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)CCc2cccc(-c3ccccc3)c2)CC1 1891418797 VYWHUIMEFUQKTE-UHFFFAOYSA-N 425.532 4.870 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 1892825947 QNRBYUBDXIYBNH-HYBUGGRVSA-N 429.561 4.963 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1(C#N)CCCCC1 1901535396 SOBYWURBYPPEMZ-DEOSSOPVSA-N 445.563 4.989 30 10 IJEE C[C@H]1[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(C)(C)CN1Cc1ccccc1 1916977459 BAYCHLFASGORNU-SQJMNOBHSA-N 448.460 4.765 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC 1922056857 GHHZRJDDGGXSAE-JCYRPKCISA-N 446.632 4.526 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1976251494 NGFYAYORFLUMKM-CYBMUJFWSA-N 445.151 4.701 30 10 IJEE C#CCC1CCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC1 1984725217 CWGSUKQTZZQRQD-AREMUKBSSA-N 444.575 4.812 30 10 IJEE O=[N+]([O-])c1c(Br)nn(Cc2c(F)cccc2C(F)(F)F)c1C(F)(F)F 2079163870 VGGUIHFDUAWJBN-UHFFFAOYSA-N 436.081 4.779 30 10 IJEE O=C(NC1CC1)c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1Cl 2079245274 ACKMUPGFJLEISE-UHFFFAOYSA-N 429.723 4.654 30 10 IJEE Fc1cc(C(F)(F)F)cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)n1 2081387460 NWZNLCYWTSTHEE-UHFFFAOYSA-N 440.706 4.694 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 2094850046 UUVKSAQHSIOGCF-UHFFFAOYSA-N 438.377 4.623 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2124519140 GQPIKHUNYFNTCL-IAGOWNOFSA-N 442.365 4.506 30 10 IJEE CC(C)(C)OC(=O)NCCC1(C(=O)Nc2ccc(C#N)cc2Br)CCCC1 2181109316 CHHXGBQHYOQFEG-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CC(=O)Nc1cc(Br)ccc1C#N)C1CCC1 2186784990 XJSBQDPZGUVASY-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2235722528 CWDOUGYQZAZDJE-YJBOKZPZSA-N 449.311 4.624 30 10 IJEE N#C[C@@H]1CCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)C2(CC2)C1 2245104605 SNIZVGDBPZVUNO-LJQANCHMSA-N 443.547 4.600 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Cl)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2252754795 QMNMAZPDQKGTAK-XZOQPEGZSA-N 442.987 4.780 30 10 IJEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N[C@H]2CN(Cc3ccccc3)C3(CCCCC3)C2)OC1(C)C 2267091517 RAZVXDGJCNTAPY-YPAWHYETSA-N 438.421 4.562 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 2296216633 MIIZMCKHMAMOQE-WOJBJXKFSA-N 429.358 4.655 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H](C#Cc2cccc(Br)c2)NC)C1 2296225726 YJGGZAJXAGAKCD-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2296298291 ISTNKXIXZSLYOS-ICSRJNTNSA-N 435.406 4.720 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1 2296807608 CUTHBVZLMDAFNG-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCCC[C@H]1SC(=NS(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O 2314396458 AOURTMNYYPXGMZ-CYBMUJFWSA-N 428.988 4.785 30 10 IJEE C[C@H]1[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317351265 FWWNHJPDPCXARD-LGNMEBTLSA-N 429.370 4.536 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1OC 2322209601 HLUJTYMKXFMIDZ-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE CCc1ccc(C=C2Oc3cc(OC(=O)CNC(=O)c4ccccc4)cc(C)c3C2=O)cc1 2323057627 UCZGZEMABOCWRG-UHFFFAOYSA-N 441.483 4.509 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccccc2)c(Cl)c1 2323701033 DNZNNRCRLWSNJU-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2)CC1 2324162599 CYUSDIRPLIQQIF-UHFFFAOYSA-N 446.934 4.984 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)OCC(C)C 2324434217 HOZAKVPIUOAZJW-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2325549821 MVOVJIFFDFOWED-UHFFFAOYSA-N 427.456 4.891 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(OC)c(O)c(OC)c1 2325571887 MUIDMKWMMXXKFT-UHFFFAOYSA-N 446.960 4.781 30 10 IJEE O=C(C=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325628146 ZMMOBMLNUWDJEZ-UHFFFAOYSA-N 432.276 4.853 30 10 IJEE Cc1cc(Br)ccc1NC(=O)C(=O)C=Cc1ccc(Br)cc1F 2325702934 XLLYEGXSMHFDNN-UHFFFAOYSA-N 441.094 4.880 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(F)cc1F 2325721803 HEILLVGBVQKXAJ-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SCc2ccccc2)cc(Br)c1OC 2326211849 SMAUFGLQUWUELV-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)cc1OC 2326618501 ZUMKQVKCBMWNGR-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(COc2cc(F)ccc2F)nnc1SC 2327410523 VXCMGTXUERMLGX-UHFFFAOYSA-N 440.475 4.901 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCCO)n1N=Cc1ccc(C(C)C)cc1 2328560330 TYOACYYXELZFSZ-UHFFFAOYSA-N 438.597 4.954 30 10 IJEE Cc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2328992233 GIFAQDUHFKIOLC-QFIPXVFZSA-N 447.608 4.794 30 10 IJEE COc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1O 2329741318 IINNAMSGJNEIDF-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331032898 YEMUBZANFGKPTP-LJQANCHMSA-N 445.855 4.627 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2[N+](=O)[O-])c1 2331066032 IQXCPWWTACCHOM-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(CCOC)nnc2SCCc2ccccc2)cc1 2331293014 JFJGQOYYTDBQBY-UHFFFAOYSA-N 437.613 4.530 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1c(F)cccc1Cl 2331406427 KZLKCYPMKPYQFE-UHFFFAOYSA-N 426.945 4.542 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)ccc1O 2331689824 IJDOOMXLPBVGGU-UHFFFAOYSA-N 441.513 4.589 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(C)=O)c(Br)c2)cc1Cl 2331698340 JXWGGGKRPCRASC-UHFFFAOYSA-N 439.689 4.941 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332148848 LIGXOHHQFIUKSP-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2339541744 RDCXINPGSXLPSA-RRRIULDXSA-N 441.381 4.538 30 10 IJEE C[C@](C=O)(Cc1ccc(I)c(Br)c1)c1ccccc1 2349918922 YUTKQJXCSLACJS-MRXNPFEDSA-N 429.095 4.753 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(c3ccc(C#N)c(Br)c3F)C[C@H]21 2361348725 XQAIMZIOHCRYRM-CZUORRHYSA-N 438.341 4.686 30 10 IJEE CCCN[C@@H](C#CC1CC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362736104 FTLJNIYDBAIPLZ-PMACEKPBSA-N 435.406 4.667 30 10 IJEE COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccn3)n2)cc1 1010139 IJQLKZRFTFKWIG-UHFFFAOYSA-N 444.438 4.773 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1cccc(C(C)=O)c1 8385233 CKNKJUCLEBEBPH-COPMAWBXSA-N 443.956 4.831 30 10 IJEE C=CCn1c(SCC(=O)NCCC2=CCCCC2)nc2sc3c(c2c1=O)CCCC3 15277003 WCIORFLIKHWARV-UHFFFAOYSA-N 443.638 4.622 30 10 IJEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)c(Br)c2)cc1 20882574 JRUMJDMGNYXZDV-JKSUJKDBSA-N 428.301 4.901 30 10 IJEE N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)c4ccc(F)cc4)c3)C2=O)cc1 34735438 UTNHTIOSIDMRRJ-UHFFFAOYSA-N 428.467 4.782 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 34954443 KKWOMYCKWNMAOA-JLHYYAGUSA-N 433.416 4.727 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1OC 39754469 BWKCRHSOPOQLAL-FMCGGJTJSA-N 433.416 4.807 30 10 IJEE Cc1c(/N=N/c2ccccc2C(=O)c2ccccc2)c(O)n(C[C@H]2CCCO2)c(=O)c1C#N 39871584 MVUORDFJDGPAGI-UDYULJFISA-N 442.475 4.559 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cc(F)ccc2C)n[nH]1)c1ccc2ccccc2c1 59022131 BVWNGWWJXXHZLC-DICXZTSXSA-N 448.527 4.972 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(-c2ccc(OCC)cc2)n1 62898047 HQHAKXHLKAWTTM-UHFFFAOYSA-N 437.521 4.874 30 10 IJEE CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(O)c1 100037110 AFIUAGSEYBGLOS-HKOYGPOVSA-N 429.586 4.554 30 10 IJEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2cccc(OC)c2)cs1 169940990 XEKLRVODMUAIAM-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(C)c1 169970693 KNCUPWBLKJOQOT-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccn2)c1 169991020 ILECLXUKYWFZQU-HSZRJFAPSA-N 427.504 4.547 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170066796 SWTLKNPKBQQRNT-ZJSXRUAMSA-N 449.547 4.884 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12 170073310 LRZOWOIUPLCHHJ-NRFANRHFSA-N 438.911 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1C(C)C 170134353 OTWIWIVENSFGHB-QHCPKHFHSA-N 447.487 4.896 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccn2)cc1 170171022 XQJZQEJKWQLCJZ-HSZRJFAPSA-N 428.488 4.744 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)c(C)c1 170172663 JZHORJLTUQOHFC-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)c1 170173042 KCCJYDDEWHQVSY-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1c[nH]c2ccccc12 170255244 BOPHKDYKNLOBCM-JOCHJYFZSA-N 434.492 4.564 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cn(C)c2ccccc12 170269132 MZLYMUWAUBYCLZ-HSZRJFAPSA-N 432.520 4.874 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)c1 170278930 HTAPUYBSQJZQNJ-JOCHJYFZSA-N 428.444 4.943 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170359875 JBLPHLFVYHVHLP-JOCHJYFZSA-N 448.544 4.996 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 170446248 OFQHKWITZGSEQZ-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(OC(C)C)c2)c1 170475622 IVUNIOFKUMTACS-QFIPXVFZSA-N 437.536 4.993 30 10 IJEE COc1ccc2c(c1)O/C(=C/c1cccc(OC(=O)c3ccc(OC)c(OC)c3)c1)C2=O 210089355 MHMWECDIUHDQQX-FSJBWODESA-N 432.428 4.548 30 10 IJEE COc1cc(/C=C2\S/C(=N\N=C/c3ccccc3)N(Cc3ccco3)C2=O)ccc1O 210511985 BQORNZCUTGTISD-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE COc1ccccc1/C=N\N=C1/S/C(=C\c2ccccc2OC)C(=O)N1Cc1ccco1 210596075 QOVCGYYQHOPYSA-DOSRWIIRSA-N 447.516 4.803 30 10 IJEE CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc(C#Cc2ccccc2)c1 248265951 XWQYONONHJBION-XMMPIXPASA-N 432.470 4.758 30 10 IJEE N#Cc1cc(Br)cnc1Nc1cc(Br)ccc1Br 311185839 BYJDPEQEBPXKGU-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE N#Cc1ccc(NC(=O)Nc2ccc(Br)c(I)c2)cc1 312348145 FAVXNZDHRRHLSG-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1OC)NCC 407006314 WYUMFJGNFHFSTR-QZTJIDSGSA-N 441.410 4.838 30 10 IJEE Cn1cc([C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 446115663 FIMCLLLOBHNHKG-LLVKDONJSA-N 434.262 4.883 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 522571062 TZRZIIDVERNWMR-AREMUKBSSA-N 440.503 4.687 30 10 IJEE C=CCCCN(C)C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 522951308 ZOZDFQDVGDWDMZ-ZCYQVOJMSA-N 436.552 4.613 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Cl)cc1Cl 523133589 LMBXIIKVOXJBCF-GDZNZVCISA-N 437.396 4.835 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccc2OC)cc1OC 526605876 FTYSRKIOSOANJL-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1Br 526801268 IDLNOBXFNHWSIC-FBHDLOMBSA-N 435.322 4.671 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1c(O)ccc2ccccc12 526825994 IZBXVLADALLTSA-QFEZKATASA-N 446.532 4.660 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nncn2/N=C\c2ccccc2OCc2ccccc2)cc1 526828358 GOIIKGLXNDFXSL-QFEZKATASA-N 445.504 4.940 30 10 IJEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(N3CCCC3)cc2)cc1 586201895 ZHWMWKNAXMWLSZ-UHFFFAOYSA-N 431.561 4.862 30 10 IJEE Cc1cccnc1N(C(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586273230 FZVUFACMDWAUBM-UHFFFAOYSA-N 446.315 4.604 30 10 IJEE COc1ccc2nc(N3CCN(C)CC3)c(/C=C\C(=O)C34CC5CC(CC(C5)C3)C4)cc2c1 606443114 YPCFJGSQUBZHIG-UTCJRWHESA-N 445.607 4.794 30 10 IJEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(CC)(c2ccc(Cl)cc2)CC1 670235222 DFEYEYQSEQSKQW-HXUWFJFHSA-N 430.980 4.544 30 10 IJEE FC(F)(F)c1cc(NN=C(C[C@@H]2CCOC2)c2ccccc2)nc(-c2cccnc2)n1 753933365 XMFHDKCNDFFRJE-HNNXBMFYSA-N 427.430 4.800 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1=S 764971777 KWYZVHIPNNUDCA-IBGZPJMESA-N 435.553 4.575 30 10 IJEE COc1cccc2[nH]cc(CCNC(=O)c3cccc(COc4cccc(C#N)c4)c3)c12 778063658 JULLRGSQONPWDZ-UHFFFAOYSA-N 425.488 4.600 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 790244905 OEKPSILSISCRET-WNSKOXEYSA-N 448.514 4.954 30 10 IJEE C=CCn1c(C)cc(C(=O)COC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)c1C 792808781 XLFBVEFEDAGEPQ-UHFFFAOYSA-N 444.959 4.646 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802550763 GZCGJJBYUJDADV-UHFFFAOYSA-N 446.595 4.676 30 10 IJEE CCSc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1 1084146313 JAABWHRGRFMCBG-UHFFFAOYSA-N 432.347 4.704 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(CSCc4ccccc4)c3)CC2=O)cc1 1126238698 BOTYAPBMUUYGHA-QFIPXVFZSA-N 441.556 4.983 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(Br)c3nccnc3c2)cc1 1128194556 BXHGQMWYNHDKDO-UHFFFAOYSA-N 440.297 4.654 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(I)ccc1C 1128810283 CYTOOSWTMLTLPT-UHFFFAOYSA-N 437.325 4.596 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C)c1ccc(Cl)cc1F 1129735308 LPJBSABFGGUNHD-JOCHJYFZSA-N 446.865 4.692 30 10 IJEE C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 1131842010 FHOYNBRJFALZCI-NRFANRHFSA-N 425.532 4.656 30 10 IJEE COc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1C#N 1132759710 DEYMTLYIRVWLEK-NRFANRHFSA-N 433.895 4.720 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl 1137416709 OKJZDFUOHPXODT-OWQGQXMQSA-N 445.387 4.781 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1c[nH]c2ccc(Br)cc12 1140506033 VNLDFGJCZHDWAW-UHFFFAOYSA-N 429.362 4.855 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1148505381 GGXNEDSNBWHWGQ-CALCHBBNSA-N 434.920 4.603 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OC)c2ccccc12 1170928871 UCOXUBZLKYTFPN-GOSISDBHSA-N 432.904 4.601 30 10 IJEE C=CCc1cc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc(OC)c1O 1177769451 JJBXOUSUAVEJNB-QFIPXVFZSA-N 445.003 4.724 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)C[C@H](O)c2cccs2)cc1OC 1178374554 SLEDZDCATNEPPY-BBRMVZONSA-N 426.376 4.686 30 10 IJEE C#CCOc1ccccc1NCc1cc(Br)cc(Br)c1OC 1178513769 CGZXRGDGBZCAFB-UHFFFAOYSA-N 425.120 4.844 30 10 IJEE C=CCCCN(CC)Cc1cc(I)c(Br)cc1F 1207735718 OQXFYEQFJQARJF-UHFFFAOYSA-N 426.111 4.981 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 1222004287 DEZJYWUCSLIBFS-ZWKOTPCHSA-N 447.366 4.752 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 1230468045 FALRUJLDFUSICK-QXAKKESOSA-N 437.353 4.634 30 10 IJEE CCOC(=O)c1cc2ccccc2cc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1270602529 BBSHCXWBFAHRLQ-UHFFFAOYSA-N 443.503 4.682 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H](OCC)C1CCCC1 1286286336 WQPUICAZZLZXGU-RDPSFJRHSA-N 446.599 4.574 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286333770 NJIPXFJMUZDYOF-IBGZPJMESA-N 425.627 4.883 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1286655148 KNVUZPFDTKFPOG-OYRHEFFESA-N 432.616 4.587 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2cccc(C)n2)CC1 1286664760 FSDDRUPANDIMHN-UHFFFAOYSA-N 431.584 4.822 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCN2CCC)CC1 1286664860 KDYLLOJXYGHCPZ-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1cscn1)c1ccccc1 1286678772 DNKVCNQLQAOARN-FQEVSTJZSA-N 430.581 4.717 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1Cc2ccc(Br)cc2C1 1286688317 WGMYUTTVTZWOLL-QGZVFWFLSA-N 431.378 4.811 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1286693194 VSXLTCDHNLXEHK-HKUYNNGSSA-N 426.561 4.706 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1 1286741356 KSTYTFBMLOOVDF-QHCPKHFHSA-N 444.608 4.614 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCO[C@@H](C)C1 1286765728 INVRLPIFAOOGSY-VQTJNVASSA-N 438.547 4.651 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286771434 QIPZZYDOZYPMQM-QFIPXVFZSA-N 437.632 4.868 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1286834577 IWGGAVLMXMNJOT-JOCHJYFZSA-N 426.630 4.978 30 10 IJEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1287896218 FRCKFZCCDBLFBI-UHFFFAOYSA-N 443.020 4.898 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)C(C)C)c1 1290594478 LFIPLUOJMWCOPW-WZONZLPQSA-N 428.598 4.792 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CCCN1C(=O)OC(C)(C)C 1290838704 FXRTVJOXKOZMNS-XMMPIXPASA-N 425.529 4.857 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC1(OC)CCC(C)CC1 1299892449 IARXYNABIUFBGR-WCCYLALTSA-N 445.995 4.941 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1300341305 FPMLGEJXLXRZKY-DNQXCXABSA-N 445.615 4.673 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C(C)C 1300362680 TUHNCHWZUIGRNY-NHCUHLMSSA-N 443.636 4.821 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N(Cc1ccco1)Cc1ccco1 1300411625 LIQSMDVDISEIRA-UHFFFAOYSA-N 436.462 4.953 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCCN1CCCC 1300572575 XMKSRFJQVILQFP-OAQYLSRUSA-N 438.019 4.716 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1300770305 SHEIVCFOCPTBBM-MDNUFGMLSA-N 438.641 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1300895064 LSDYHCCLTWZTBM-HOTGVXAUSA-N 436.482 4.621 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCOc1ccccc1C 1300970647 ZJYBCTYQNFCPSU-IFMALSPDSA-N 426.605 4.987 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1301057086 OGKBINOKUCBXOZ-LJQANCHMSA-N 432.996 4.768 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2c(C)nn(C)c2C)CC1 1301095559 JFLCKWDRIZUHAQ-UHFFFAOYSA-N 448.615 4.710 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CC(F)(F)C1 1303908381 CBDCRYHOJUQCAO-YJYMSZOUSA-N 439.869 4.559 30 10 IJEE C=CCn1cc(CNc2ncnc3scc(-c4ccc(Br)cc4)c23)nn1 1307145590 PJCIELMVZPDBAX-UHFFFAOYSA-N 427.331 4.510 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1310071032 LGDQCNQSSZDWCJ-JOCHJYFZSA-N 441.597 4.999 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1312535000 IULYBIYMTHJMHY-DSYPUSFNSA-N 435.515 4.669 30 10 IJEE C=CCCCCCCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 1312664365 BYAGVAUPHJSHII-UHFFFAOYSA-N 436.394 4.946 30 10 IJEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)CCCC1 1349989854 BCOCZZSXOLDHMG-UHFFFAOYSA-N 446.657 4.570 30 10 IJEE COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)COc1cccc(C#N)c1 1354981485 GKSHOKAHSVVBTB-UHFFFAOYSA-N 426.881 4.744 30 10 IJEE CC(C)(C)OC(=O)N(CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 1355133909 ATYRNRFTXYQCFQ-UHFFFAOYSA-N 435.524 4.865 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccs1)C1CC1 1359052556 IYVYJASVHUGQJR-UHFFFAOYSA-N 430.002 4.590 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CC)C1 1359079276 FECQWFFZTPMIMF-CYBMUJFWSA-N 446.176 4.776 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(C)(C)C 1359098125 XVVBLYFTJYGIFQ-DENIHFKCSA-N 434.588 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1359103955 VZWIPSVXTGEWAW-VUHNXCBZSA-N 438.616 4.678 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1359146194 QEVRDLOVTLWMHU-QFIPXVFZSA-N 449.020 4.827 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1359161001 MEXMDDYQKYBAOU-KKSFZXQISA-N 433.394 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C)C1 1359182847 VQCDEHCGGHSULH-GOSISDBHSA-N 427.618 4.691 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359225960 RIOTUBUNVIUCRG-IBGZPJMESA-N 437.588 4.803 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cccc(C(F)(F)F)n1 1359231514 YBJQUWUDHIYSFF-AWEZNQCLSA-N 435.425 4.642 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC[C@@H]1C 1359264703 MUSKYQRQECUNAK-PKOBYXMFSA-N 428.627 4.857 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCc2cccnc21 1359273899 SPDQAIYCPNTARY-JOCHJYFZSA-N 429.568 4.859 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(Oc3ccccc3)nc2)CCCN1C(=O)OC(C)(C)C 1434948521 DSMHNGSHUSFLLQ-VWLOTQADSA-N 437.540 4.836 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 1436195167 SLXQNFYILPGNPE-GOSISDBHSA-N 447.362 4.727 30 10 IJEE C=CCC1(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)COC)CCCCC1 1436261017 UIVJJCVDHAMXGN-SFHVURJKSA-N 428.602 4.640 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1C 1454653704 DKBIESRBZKRIOT-RBUKOAKNSA-N 449.389 4.728 30 10 IJEE C#CCN(C(=O)C[C@]12CCCC[C@@H]1C2(F)F)[C@@H]1CCOc2ccc(Br)cc21 1456444005 GHZSVUBOIZHMSK-IMFGXOCKSA-N 438.312 4.950 30 10 IJEE C#CCOc1ccc(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1458317304 KSMSQMDQQUBBPL-NRFANRHFSA-N 427.426 4.535 30 10 IJEE C=CC[C@H](CC)NC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2)ccc1Cl 1459616584 JDNANFKIBJQAMZ-KRWDZBQOSA-N 432.973 4.806 30 10 IJEE CC(C)N(CC(F)(F)F)C(=O)CN1CCC(F)(c2ccccc2C(F)(F)F)CC1 1460016709 FYFHAFWYPSDCTM-UHFFFAOYSA-N 428.392 4.765 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3nn(CCCCCC)c(=O)c4ccccc34)cc21 1463119210 MYYGHJYKCHLYIM-UHFFFAOYSA-N 429.524 4.765 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 1464211612 BEVMKPSHIMOIJX-IBGZPJMESA-N 436.487 4.614 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1470490879 RJIJXCDQOXUWMS-JTHBVZDNSA-N 432.486 4.894 30 10 IJEE C#C[C@H](NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccc(Cl)cc1 1470662848 KYGMEJFVOMCRDJ-NRFANRHFSA-N 426.904 4.636 30 10 IJEE N#Cc1cccc(Oc2ccnc(Oc3ccc(S(=O)(=O)c4ccccc4)cc3)n2)c1 1472661551 CMLYSPFVCWLYDZ-UHFFFAOYSA-N 429.457 4.766 30 10 IJEE C=CCn1c(SCc2cn(-c3ccc(Cl)cc3)nn2)nnc1-c1ccccc1F 1472934305 CLPCJJNLIGGMJG-UHFFFAOYSA-N 426.908 4.797 30 10 IJEE C#CCn1ccc(CN(CC)Cc2cc(Br)c(Cl)c(Br)c2)n1 1473439901 MIVCZHWSGGUZRE-UHFFFAOYSA-N 445.586 4.717 30 10 IJEE C#Cc1ccc(NC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)cc1 1477192597 VCIZBRWIBFFWQF-RXFWQSSRSA-N 428.532 4.875 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1477824686 BGIVVNCRUZJYSU-DEOSSOPVSA-N 436.987 4.970 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC(F)(F)C1 1507555454 QSECUUWFOTYGNW-UHFFFAOYSA-N 437.332 4.993 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1507568069 QFJIYQUROASRHS-OAQYLSRUSA-N 426.992 4.579 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507839043 OUOFIQBIZYUQAR-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1507894490 DLIHXTSXOHTQFA-IRXDYDNUSA-N 448.493 4.621 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](CCC)C1 1507944524 SRBPKTQXTIUJQQ-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1507973447 DPLSEUMDILCXDQ-GAJHUEQPSA-N 432.012 4.740 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1Cc1ccc(C)s1 1507996469 HQPFOPYPOLJLPE-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1507996987 NGFBDMVIJVGJRV-KBMIEXCESA-N 425.596 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CSCCS1 1508017655 FRTFIIPLTSBGFP-SFHVURJKSA-N 439.610 4.627 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1508150339 CQASYYPNXPWLSL-MJGOQNOKSA-N 428.602 4.650 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CC(F)(F)C1 1509944879 AJVKZVPJSZDVPT-INIZCTEOSA-N 431.531 4.938 30 10 IJEE CC(C)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cnc2ccccc2c1 1520043301 IAOXZTOARKQPRY-SFHVURJKSA-N 432.911 4.554 30 10 IJEE CCCN(C)[C@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccc(Cl)cc1 1520978666 FCUFLTWJJNQUCR-OAQYLSRUSA-N 445.032 4.823 30 10 IJEE C#CCOCCC(=O)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2 1523443517 GOZYFAAXQIKETA-UHFFFAOYSA-N 446.366 4.599 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)OCc2ccccc2Oc2ccccc2C#N)c1 1525713419 GTIYWDROBCDNPI-UHFFFAOYSA-N 449.528 4.707 30 10 IJEE N#Cc1cc(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)ccc1Cl 1526411807 HPNUWMOSYKTHKT-UHFFFAOYSA-N 444.966 4.782 30 10 IJEE C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 1528821338 BUGJRFOECBZIET-ZYSHUDEJSA-N 427.342 4.788 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC=C)c3ccccc3)ccc2Cl)C1 1533311988 CMSCQELIQWYBOX-GOSISDBHSA-N 444.984 4.760 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1534971252 SNEBBQIRLGZEJF-LJQANCHMSA-N 443.422 4.898 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCC(C)(C)C 1539242050 OGHCGWPDIIUDHY-UHFFFAOYSA-N 431.353 4.746 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1539587561 HIDILHKAXPRZRX-UHFFFAOYSA-N 440.267 4.504 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C)CC1 1539623220 LDPOHMYKPIVSHN-UTKZUKDTSA-N 430.980 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539659552 BIMLOGIWHLSJKT-SFHVURJKSA-N 427.593 4.817 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(Br)c2Cl)CCCN1C(=O)OC(C)(C)C 1539844539 MFCFMOQGOBRZKY-LJQANCHMSA-N 441.753 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@H]2CCCO2)CC1 1539882776 XEPUMQUXPARPHH-NRFANRHFSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1539961241 RBLOAQZQACKVND-HXUWFJFHSA-N 448.615 4.904 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1 1540829047 QJWVKSAUYVLZLP-RDJZCZTQSA-N 440.968 4.696 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1540881020 WZWRMOYCZHUKNB-FGZHOGPDSA-N 437.632 4.544 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccco1)c1cccnc1 1541304610 GBHKSYVTJUXSAE-HSZRJFAPSA-N 426.524 4.881 30 10 IJEE C=CCC1(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CCCCC1 1543450253 SJIYMAJFLGXSLM-UHFFFAOYSA-N 428.964 4.561 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 1546216073 DTIYZZLQCXFOCG-SANMLTNESA-N 444.962 4.899 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CC[C@@H](F)C1 1555544635 FLVYJSKHGCRESE-LEWJYISDSA-N 437.519 4.509 30 10 IJEE CC(C)(CNCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc2c(c1)OCCO2 1560296740 GINZOQLVGARTMK-UHFFFAOYSA-N 428.532 4.976 30 10 IJEE C#CCN(Cc1ccc(OC)c(OC)c1F)[C@H]1CCOc2ccc(Br)cc21 1560702173 LTZCOKSDCVEGSW-KRWDZBQOSA-N 434.305 4.564 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CCOCC1 1562040243 RXODKZLRODLSFP-UHFFFAOYSA-N 432.318 4.883 30 10 IJEE CC(C)N(C)Cc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1562278056 FWYXBEBGABBDNW-UHFFFAOYSA-N 429.524 4.907 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2ccccc2OC2(CCC2)C1)c1ccc(Br)cc1 1565000178 TWXCLAHNKIIQOD-LJQANCHMSA-N 425.326 4.650 30 10 IJEE Cc1sc(NC(=O)CNc2ccc(C#N)cc2)nc1-c1ccc(Br)cc1 1566403562 CIBXVTQLGXUFLW-UHFFFAOYSA-N 427.327 4.803 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(Cl)c2)CCCCC1 1569348232 ROQWUTKGZFJALS-FQEVSTJZSA-N 432.992 4.965 30 10 IJEE C[C@H](C#N)CN(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1583029536 AHCMESRGUWYVRP-GOSISDBHSA-N 447.608 4.942 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(COc2ccccc2C#N)c1 1584143805 ATGSPFMTNINXDT-UHFFFAOYSA-N 437.540 4.560 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1584714319 JCBVACNLQZLSEG-PMACEKPBSA-N 430.548 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1(C)C 1585019039 AHFHVVYSXGZIBB-JOCHJYFZSA-N 449.551 4.655 30 10 IJEE COC(=O)c1cnc([C@H](C)NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s1 1585545805 ANIIBESZGDFYQW-LBPRGKRZSA-N 441.896 4.738 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)cc1OC 1586634455 NLJQDOWHKRMKDG-RQXSZPABSA-N 427.928 4.915 30 10 IJEE C=C1CCC(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)CC1 1588119459 WTWIDBIMAFWESA-YVLHZVERSA-N 439.364 4.892 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CC(C)(C)C 1589007415 ODLLEQVSPHTZJS-UHFFFAOYSA-N 427.437 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1CC 1589150590 HLURZCXLCQJYTK-MFSJNOQSSA-N 442.007 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1cn(CCCCC)nc1C 1589223446 KHOGXRNRQZNZEO-HHHXNRCGSA-N 444.627 4.913 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)CCCc1ccc(OC)cc1 1589434352 DNGSAZMFFVZPNO-UHFFFAOYSA-N 447.421 4.997 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1C 1589556347 BRMLGQAWBKQGSF-NZQKXSOJSA-N 437.613 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@@H](C)c1nccs1 1589559758 ULUJUIWZVIYXKZ-LMNJBCLMSA-N 429.634 4.688 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2oc(CC)nc2C)CC1 1594430228 KLNGEMIPZCWCRR-UHFFFAOYSA-N 435.572 4.783 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccsc2)CC1 1594436753 DUGXPSNWSVLNEO-IBGZPJMESA-N 443.617 4.862 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1594617325 YDXFJEDLUCROOI-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC)(CC)C1 1594788995 WWJQYESUEBQJLZ-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)CCCO1 1595251264 QTTFFHVVXITFET-HSZRJFAPSA-N 426.948 4.996 30 10 IJEE CN(C(=O)C1CC1)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 1598355700 AQLCKILXRPBQJM-UHFFFAOYSA-N 425.488 4.762 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1611768829 DRNXMINMRBAAHI-YRISNDGFSA-N 432.494 4.688 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2ccccn2)c1 1620921740 HUZKPTCALOFFFX-NRFANRHFSA-N 425.529 4.849 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2c(C)cccc2C)CC(C)C)cc1 1622886566 KPBSPJGTWTWXGU-UHFFFAOYSA-N 443.613 4.800 30 10 IJEE CN(C)C(=O)C1(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CCCCC1 1622898240 FMOOBIJNLCOZKG-HXUWFJFHSA-N 438.959 4.908 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Sc2ccccc2)c(C(=O)OCC)c1)C1CCOCC1 1623284065 VXEACJOQEXWVSA-OAQYLSRUSA-N 438.549 4.564 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 1624456098 OWFHBEQCOSTHDT-UHFFFAOYSA-N 442.585 4.624 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 1625576456 GRTDUMAGBKEVNW-OFNKIYASSA-N 443.632 4.784 30 10 IJEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1629274351 DWVLUSURHOVOAT-UHFFFAOYSA-N 437.540 4.920 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 1629274981 VPMPQNGJGWSGRW-UHFFFAOYSA-N 449.894 4.802 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Cc3ccccc3)ccc2O)CCCN1C(=O)OC(C)(C)C 1633104154 MUVRYPLGDKGCNA-SANMLTNESA-N 434.536 4.715 30 10 IJEE C=CCCOCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC 1633738023 HTMCTOFVXNRZAS-OAQYLSRUSA-N 446.588 4.579 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCC2(c3ccc(Br)cc3)CC2)c1C#N 1634033278 DFLLFGWGFMDWRK-UHFFFAOYSA-N 442.382 4.777 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1636631491 MYLRCQNOZHIIIG-UXHICEINSA-N 443.588 4.627 30 10 IJEE C#CCC1(C(=O)NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)CCCCC1 1641806948 QDCLPARULPMVSZ-UHFFFAOYSA-N 446.389 4.535 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1642299688 CIWQJRDDSHZDLH-INIZCTEOSA-N 448.995 4.508 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)n(-c2ccccc2)c1C 1642929991 ATVKNDXGESMRPJ-VVYCWGTDSA-N 448.611 4.556 30 10 IJEE CCOC(=O)CN(CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2)CC(C)C 1644418391 DMEWKWLQARRUEB-QGZVFWFLSA-N 447.645 4.620 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)c1ccc(Br)cc1 1647998140 JSPFXBJFWKPEOT-MAUKXSAKSA-N 439.394 4.918 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CCS1 1649593341 HROJQBFIGOSLBU-SFHVURJKSA-N 427.643 4.682 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)nnc1-c1ccc(OC)cc1 1651596867 QINFBRAPEBWXCX-NRFANRHFSA-N 448.592 4.963 30 10 IJEE C=CCn1c(SCc2csc(Cc3ccccn3)n2)nnc1-c1ccc(OC)cc1 1651597067 ZXHQAMVOXYQMCP-UHFFFAOYSA-N 435.578 4.874 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCCC1 1653960411 DNDADBYVXSROOK-QHCPKHFHSA-N 433.943 4.857 30 10 IJEE C#CC[C@H](COC)NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1661786267 YUUYMVSWZYREPC-MRXNPFEDSA-N 437.487 4.790 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1ccc(F)c(C)c1)c1ccccc1Cl 1661862348 HLDOKMRMLBLLCS-JOCHJYFZSA-N 444.915 4.736 30 10 IJEE C[C@@H]1CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1CCNC(=O)OC(C)(C)C 1668886349 HLAHILLWEPTEDV-AEFFLSMTSA-N 431.581 4.662 30 10 IJEE COC(=O)c1cc(Br)cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1C 1671060955 BLZYTHFITUTGCM-UHFFFAOYSA-N 442.313 4.612 30 10 IJEE COc1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1C#N 1673850168 HDNYMMFREVYOGT-UHFFFAOYSA-N 437.503 4.800 30 10 IJEE C=CC[C@H](CC)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1680640585 PXEWGUHVPLUMDY-BJLQDIEVSA-N 449.567 4.581 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br 1684425881 QSHUAHQEVVXXQJ-GOSISDBHSA-N 449.414 4.959 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1689877004 OGHOJWCTCIZASG-QZTJIDSGSA-N 435.597 4.794 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1689894863 ADSKPVDMPJIJIW-RXVVDRJESA-N 435.374 4.832 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1689954285 RWSJCBRZKUNHBC-DZGCQCFKSA-N 426.870 4.970 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1ccccc1Cl 1690245750 MNHOWUJRPJLHIV-GHTZIAJQSA-N 430.980 4.695 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@@H]1C 1690300484 CPCUQPSJRCZOTJ-AZUAARDMSA-N 430.618 4.569 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1690328050 DMKAZQHMRYYSND-DYVFJYSZSA-N 426.895 4.723 30 10 IJEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1690351183 KLVIZWLURXJATM-MRXNPFEDSA-N 445.976 4.519 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)[C@H](C)CC)CC1 1690399271 RYQOEGBEZOZLQY-RTBURBONSA-N 429.584 4.690 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)NCCCC)CC1 1690480475 KDXRASYWZJPHNT-UHFFFAOYSA-N 448.615 4.536 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2ccnn2C)CC1 1690491542 DCKIQSYFCXVLPE-UHFFFAOYSA-N 434.588 4.558 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1sccc1C 1690609620 VHMMNKVJCUNLBZ-UHFFFAOYSA-N 439.610 4.880 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[C@H](OCC(C)C)C2)cc1 1690679034 JQAJJMMPCHGKEP-QFIPXVFZSA-N 436.556 4.711 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCCC2(F)F)C1 1690688218 QTLFFVUGFSDFQK-ICSRJNTNSA-N 432.515 4.561 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](OC)C1 1690736769 OIOIEQFPDLAEAT-SFHVURJKSA-N 432.659 4.810 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@](C)(C#N)C1 1690737102 ZVNKLIXTJRPLKW-HXUWFJFHSA-N 446.418 4.757 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705518539 NEVGDFXCGSWPBT-UHFFFAOYSA-N 427.474 4.723 30 10 IJEE C#CCCCCn1c(N2CCO[C@@H](c3ccccc3Br)C2)nnc1C(C)(C)C 1705521632 HLQUEPGSPVGFBM-LJQANCHMSA-N 445.405 4.720 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705543851 VGTHBDRFJSVOSH-BJKOFHAPSA-N 449.643 4.670 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C1 1705690733 FXEUYJKLXARDLT-GFCCVEGCSA-N 427.799 4.979 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(COC)CC1 1705696237 GBARXTRZTZEJPB-SGNDLWITSA-N 438.616 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@](C)(O)CCC 1705713126 UBOGXVATCZGJKV-FQEVSTJZSA-N 439.373 4.800 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2ccco2)C1 1705750427 BPUXCZYOKLGKAL-QGZVFWFLSA-N 449.736 4.631 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNC(=O)C(C)(C)C)CC1 1705764741 LUKQPTMZUIGSGT-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1705788789 NCAHYOHZNXONIR-UHFFFAOYSA-N 435.538 4.794 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2sccc2C1 1705825179 LPSGVVHXDHOSOZ-KRWDZBQOSA-N 442.560 4.774 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(CCC)CCC1 1705860722 VEDDYHASZUXJHC-UHFFFAOYSA-N 427.556 4.770 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705860731 NZCGZDMLZFAXBU-FGZHOGPDSA-N 434.632 4.661 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1ncc(CC)s1 1705878649 WEJFJUZBFDTKDJ-OAQYLSRUSA-N 437.613 4.822 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C)CCC1 1705882862 NECLTXMOLZPHQL-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1ccc(F)cc1 1705894153 MQETTXJASIHTJI-IBGZPJMESA-N 429.540 4.702 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1706124373 CAPCMWCMCZKPFP-WOJBJXKFSA-N 443.542 4.894 30 10 IJEE CC(C)c1nnc(N2CCC(C#N)CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1706289635 FDFSJXSKSBQQPD-UHFFFAOYSA-N 438.576 4.731 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1cccnc1)C(C)C 1722393697 HUGQRAMDDWKXEQ-DEOSSOPVSA-N 436.563 4.724 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(CCOC)CCCCC1 1722409640 DRQUQNYWGFUYHH-UHFFFAOYSA-N 433.600 4.883 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@H]1CCO[C@H](C)C1 1722466714 CXCNKERRBIGBBI-XZWCOCNFSA-N 440.563 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1cccc(C(F)(F)F)n1 1722511853 NSIWCAPFBMZYEV-UHFFFAOYSA-N 431.462 4.818 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(Cl)c2)CC1 1722562894 PTDLPNAIHQQMRH-UHFFFAOYSA-N 430.339 4.860 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H](C)Cc1cccs1 1722657374 ZSKHSMHYYQRLKQ-KNQAVFIVSA-N 447.608 4.787 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722687950 WZBBMMXPHJBCJO-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC)[C@@H](C)C1 1722734105 AOQCTROMZKELLV-SFHVURJKSA-N 445.702 4.725 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)Cc1cccs1 1740532152 CNCPZXWZKCYQTC-FGTMMUONSA-N 426.561 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@@](C)=O)CCC1 1740539002 QTSBKXYQBOGGMZ-MLNJSSBLSA-N 447.029 4.572 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740593979 XJVZVADGTVFJEM-HXUWFJFHSA-N 426.973 4.575 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(C)CCCS1 1740664834 FLRZSUWCGAODRQ-DEOSSOPVSA-N 436.581 4.862 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cscc1C(F)(F)F 1740665400 AORHQSGVTUZBQP-UHFFFAOYSA-N 425.867 4.582 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CC1(CC(C)C)CC1 1740679048 MNWDTSOLBAXDHC-UHFFFAOYSA-N 431.559 4.869 30 10 IJEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC=C(C(C)(C)C)CC1 1740711163 IQAUYQWGAVNNQY-UHFFFAOYSA-N 440.613 4.511 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1740744453 BCZQNDGKPWTHLW-UHFFFAOYSA-N 448.365 4.853 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cc(C)cs1 1740757647 WSLYJKVJCOQQOV-UGKGYDQZSA-N 438.597 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCN1CCC 1740769296 KAIORZSCJCINOV-FQEVSTJZSA-N 446.437 4.984 30 10 IJEE C=C(C)Cn1c(CC)nnc1N1C[C@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1740782705 MIOSSVUMASOWQI-LRTDBIEQSA-N 433.915 4.513 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2C[C@H](F)c2ccc(Br)cc2)CC1 1740822458 QOSASTBVJGFRMD-SFHVURJKSA-N 444.352 4.913 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740839964 QZCXYPJBHQCNDM-IBGZPJMESA-N 433.641 4.818 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1740841372 WHTOJIQAIHXWFI-XMMPIXPASA-N 437.632 4.725 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(C)(OC)C1 1740869627 SXSFTXNEOQRBRH-UHFFFAOYSA-N 425.758 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@H](C)C1 1740914671 WRQCSFRVEOSYTR-XXBNENTESA-N 448.615 4.777 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)C(C)C 1740925708 CXOYWGAPWQNWSG-SVFBPWRDSA-N 435.607 4.972 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCCC[C@H](SC)C2)nnc1C(C)(C)C)C(C)C 1740926690 JCGBSALKAPSVDH-LEWJYISDSA-N 433.710 4.996 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1740927049 QFWZFTPUGZJBLK-BHDDXSALSA-N 429.653 4.701 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCCOC1 1740996436 BXKMGRFJOYUFGF-QZTJIDSGSA-N 446.686 4.913 30 10 IJEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CC1CC1)c1cccs1 1741247403 BNDKSOPPLQYXMN-UHFFFAOYSA-N 430.581 4.986 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1748649604 QILBOMMGTIXSCC-USXIJHARSA-N 436.478 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCc1nc(C)cs1 1748656658 VSJRDWFWOKZXDY-INIZCTEOSA-N 444.004 4.853 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1748739292 CWQUHESLZDGTKD-FQEVSTJZSA-N 433.625 4.866 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC(OC(C)(C)C)CC1 1748743873 OGABEIIVXXLIIZ-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCOC[C@H]1C 1748834477 POEXZOSSHBMRRD-QUCCMNQESA-N 448.567 4.558 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC=C(Br)C1 1749024538 ULUWRIYVQPVKGW-UHFFFAOYSA-N 443.370 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1ccc(OCc2ccccn2)cc1 1749054229 QBPDYHQWPDISNH-RXFWQSSRSA-N 429.568 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OC 1749059102 WAQIRYMHUQAGRX-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CCC)CCc1cccs1 1749132162 ZIIPGGQBDWTNSE-VWPQPMDRSA-N 444.645 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC(C)C)C(C)C 1749136751 RJDHTACDAPLLIA-URXFXBBRSA-N 437.588 4.581 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1749448321 YJFAPCLYRUZIBY-AREMUKBSSA-N 438.616 4.842 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1749499388 GIGBIWHLCXAQJX-NFBKMPQASA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCC[C@@H]1C 1749530154 SZXBOMBTZVHAFP-FNZWTVRRSA-N 438.616 4.763 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CCn1cc(Cl)cn1 1749538703 ZBZOIERRYYADQG-UHFFFAOYSA-N 438.988 4.673 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@H]1CCN(CC)C1 1749544708 KVOBWGBAIWMCOO-NRFANRHFSA-N 425.596 4.684 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CC1(C(=O)N(C)C)CCCC1 1749547794 WZIXEBWZCZXTSU-UHFFFAOYSA-N 439.579 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CCCn1ccnn1 1749548906 NSJOFWHIMLFCLL-UHFFFAOYSA-N 439.976 4.534 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C1CC1)N(C)C 1749564405 WAFOGTLXDJFXAQ-FQEVSTJZSA-N 425.646 4.794 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1760104983 KJQXHWCRYCEWON-IBVKSMDESA-N 438.616 4.769 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C(F)(F)C12CCC2 1760167132 DDLBEONNTNQORI-MRXNPFEDSA-N 435.316 4.521 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCO[C@H]1C(C)C 1760296307 PWGQYHBTWGMAPV-VVMVZBAXSA-N 442.554 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1760326257 VJUOPHRGUDJNKL-YDHSSHFGSA-N 442.579 4.850 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1760352246 STPDXANQFUOMRI-CVDCTZTESA-N 440.588 4.714 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1760418426 SEXUCUKCPIFEDJ-GSEOLPGOSA-N 434.506 4.777 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1760420550 QNQUZQMIWLRDCO-JOCHJYFZSA-N 437.632 4.630 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1760427611 FJDRDSRNHCEIQJ-SYYKKAFVSA-N 428.552 4.634 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)CC1 1760437207 VJYRDLFWIMMCAI-XMMPIXPASA-N 428.577 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCN(CC(C)C)C1 1760454317 DZJJXSZNGYVQIA-NRFANRHFSA-N 432.616 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1c[nH]nc1C 1760490679 GISCYEHSRLGYHQ-KRWDZBQOSA-N 436.629 4.974 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccco3)C2)cc1 1760529666 JIDDCYPLUPTBOL-QFIPXVFZSA-N 436.556 4.651 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1760538108 WBKKQYYVTUCGKI-KSZLIROESA-N 438.494 4.997 30 10 IJEE C[C@H]1COCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1763207356 DCETYGCHQMSTSH-DOTOQJQBSA-N 431.943 4.540 30 10 IJEE CO[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1769625138 DFLMMSAQZLFPSV-LJQANCHMSA-N 446.393 4.509 30 10 IJEE CCc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C#N)c2)nn1Cc1ccccc1 1860886003 WSGKUGWZDZREQT-UHFFFAOYSA-N 449.514 4.870 30 10 IJEE CC(C)COc1ccc(CC(=O)Nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2)cc1 1860914538 QMLSQTPPCVPMHN-UHFFFAOYSA-N 441.531 4.955 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccc2Cl)cc1 1862391937 LZXYGSKYWWDAOS-YCRPNKLZSA-N 427.928 4.642 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)c(O)c1 1862417485 SAJDFXKUKMXEMD-ZXNZOMRRSA-N 443.446 4.533 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1Cl 1862444301 WCSIEWDSLBELIO-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457785 YAWOYOZDEVVHER-LJQANCHMSA-N 431.341 4.615 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862479418 GWCYQGIUVYAXES-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862560172 BCVGFURPZDJIRS-JOCHJYFZSA-N 430.504 4.938 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862563915 NQJZPQVDXQYCFQ-XMMPIXPASA-N 442.515 4.836 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862628055 UPKGAJWAWAMTJG-NFHUAXAMSA-N 449.503 4.581 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862672388 BYOPEIQDMHSKTM-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862711964 GVHNOBBLBHYXRF-AUSIDOKSSA-N 449.453 4.875 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)cc3)C2=O)cc1Cl 1862887893 MBOPVPXKHOISFS-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(OC)c(OC)c2)C1=O 1863520640 ZZOFZGNZIFASPL-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1867118331 DULSRKRCJXHIEJ-VWLOTQADSA-N 443.522 4.695 30 10 IJEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)CCC(=O)c1cccs1 1870147203 DBINSLZXZDCDPN-UHFFFAOYSA-N 442.504 4.546 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc([N+](=O)[O-])cc2)cn1Cc1ccccc1 1870683976 HEABQACMSKPVGX-UHFFFAOYSA-N 445.519 4.558 30 10 IJEE O=C(/C=C/c1ccc(F)cc1)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871365967 LGQQJTCCJAJLLT-AGWINUGJSA-N 431.375 4.969 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871547861 GKFGTRULWGSQJM-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871587947 JBOWQDMYDIHONU-IBGZPJMESA-N 435.620 4.949 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871807137 BQSZTIVTXGSRKA-KKSFZXQISA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872373811 WSZWUEFSMLHTNF-OAQYLSRUSA-N 436.524 4.647 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872568599 FTJWJZOBAHYGJF-QHCPKHFHSA-N 444.597 4.605 30 10 IJEE COC(=O)c1nc(-c2ccc(C)cc2)oc1N/N=C/c1cc(Cl)c(OC)c(OC)c1 1873462236 ULSWWIQZAXYONP-FOKLQQMPSA-N 429.860 4.553 30 10 IJEE CCCCOc1ccc(NC(=O)CCc2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cc1 1873954202 LXKRGHPWCRACTP-UHFFFAOYSA-N 442.519 4.711 30 10 IJEE Cc1ccsc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCC(=O)OCC(C)C 1874381743 GZRHRSBCECNCQT-FOKLQQMPSA-N 446.573 4.551 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 1874420523 QDASJLLPEIERPZ-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1F)NC1CCCCC1 1874428559 ORQDLTDRJCBYHA-MFKUBSTISA-N 437.544 4.507 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccco2)c1C 1874436980 WWJGTLGNAPBBII-YDZHTSKRSA-N 425.558 4.690 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(O)c2)c1C 1874483304 OVLPPLURPVYMMG-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(OCC)cc1 1874506830 WVOIRJMKCLDKTP-HYARGMPZSA-N 425.514 4.712 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccccc1Cl 1874522516 XLLXVMVOTAGCBR-FSJBWODESA-N 427.961 4.724 30 10 IJEE C[C@@H](NC(=O)COc1ccccc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1874570441 YWBYSUIDHSOEHV-LGHUBQEGSA-N 430.460 4.747 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(Br)cc2)cccc1OC 1874574264 DKGIXKUNZHZNKQ-FMIVXFBMSA-N 433.298 4.686 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)cc1 1874575798 HFZDQEOYBFNDMA-JXMROGBWSA-N 432.900 4.831 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c(C)c1 1874622536 IGGJUVBEFYTZIL-IZZDOVSWSA-N 429.472 4.946 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(OC)c3)c([N+](=O)[O-])c2)c1 1875102115 MHYLUQUWVVAFKL-PKNBQFBNSA-N 433.416 4.727 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccccc1F 1875151238 BFWQYPVHTBEPPJ-RMKNXTFCSA-N 434.419 4.607 30 10 IJEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)C2)c1 1891718166 WKBMYZAURNNPAS-FQEVSTJZSA-N 438.462 4.601 30 10 IJEE C#CCO[C@@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)C1 1892122259 CHNHAAORAYZSAX-HSZRJFAPSA-N 433.511 4.828 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 1903081015 FHTQZHISPPXISL-AUUYWEPGSA-N 435.487 4.858 30 10 IJEE C=CC[C@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1I 1969551099 JGQLXOUUKGFBQT-IINYFYTJSA-N 434.115 4.528 30 10 IJEE Cc1cc([N+](=O)[O-])c(C#N)cc1NCCNC(=O)OCC1c2ccccc2-c2ccccc21 1978827779 BXEJEFNEWUZZAP-UHFFFAOYSA-N 442.475 4.726 30 10 IJEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CC1 1984779153 PWTSJDTVXGWGCY-BCHFMIIMSA-N 444.575 4.954 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1Cl 2010542802 GQRVBOJKUXYXQI-MGPUTAFESA-N 443.931 4.649 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)O1 2018244413 ZINCFTBFAKLDFU-ZRBLBEILSA-N 432.605 4.590 30 10 IJEE C#CC[C@H](C)C[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020081664 IPCISPUUENZTDN-RZPFDVGOSA-N 428.617 4.858 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Cl)c(C)cc2Br)C1 2077088494 VEFGGRIRBGQYJY-UHFFFAOYSA-N 429.742 4.963 30 10 IJEE C#CCN(C[C@H](Cc1ccc(Cl)c(Br)c1F)NCC)C(=O)OC(C)(C)C 2110508525 CJQVGMZBCTYNTA-AWEZNQCLSA-N 447.776 4.633 30 10 IJEE C=CCC1(NC(=O)c2cc(Cl)c(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2118147264 FVGQGDOVGQEIEB-UHFFFAOYSA-N 443.769 4.706 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3cc(Br)c(C#N)cc3F)CCC[C@H]2C1 2162344256 VWMAMOGFACXONO-QEORTHHSSA-N 438.341 4.907 30 10 IJEE CCN(c1cc(Br)c(C#N)cc1F)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2174811149 USCYEBPNAZRPSI-DYVFJYSZSA-N 440.357 4.980 30 10 IJEE CC1(C)C[C@@H](C(=O)Nc2ccc(Br)cc2C#N)CN(C(=O)OC(C)(C)C)C1 2181104660 BNEXKXTUYZBDFA-CQSZACIVSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1C#N)c1ccccc1 2181134474 HIXINJMSPCVEMX-QGZVFWFLSA-N 430.302 4.525 30 10 IJEE OCCCCCC#Cc1sc(Br)c(Br)c1Br 2212193573 HHGOHOMOVWKREM-UHFFFAOYSA-N 430.987 4.940 30 10 IJEE COc1cc(Nc2cc(I)ccc2Br)ccc1C#N 2226049150 ADVJIDHTKLQEFQ-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2248879554 NKEJKCKJJKBVBB-DSEONOSFSA-N 447.498 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2262199575 JIZLJWFESCFUJL-KHOMTPLRSA-N 447.572 4.655 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CC(C)(C)C1 2296218795 IDINAZJNEMMPMR-SFHVURJKSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C1(N(C)C(=O)OC(C)(C)C)CCC1 2296220225 VYJGDFJWDOKWPQ-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CCC1CC(NC(=O)OC(C)(C)C)C1 2296309964 CNTACIZCZPJIIW-SKINQDTJSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1cnn(C2CC2)c1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2318060862 ARLMYFFNTUAYAT-QHCPKHFHSA-N 436.600 4.765 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1 2321958803 SATUEVITRYRRIK-OAHLLOKOSA-N 432.303 4.941 30 10 IJEE CCOc1ccc(OCc2nnc(S)n2N=Cc2c(OC)ccc3ccccc23)cc1 2322193403 JAYPGRGIQAEUOM-UHFFFAOYSA-N 434.521 4.589 30 10 IJEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCO3)c1C 2322687900 VMNXZIYHFHIUIU-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1OC 2323097742 HUDUXERJRRSTDZ-UHFFFAOYSA-N 434.444 4.760 30 10 IJEE CCn1cc(C=C2Oc3c(CN4C[C@H](C)O[C@@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 2324017515 AWXPANBDUMLNCS-ROUUACIJSA-N 446.547 4.901 30 10 IJEE Cc1ccccc1CN1CCN(Cc2c(O)ccc3c2OC(=Cc2ccccc2)C3=O)CC1 2324196932 GPFUEWNITAJLNU-UHFFFAOYSA-N 440.543 4.635 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2324745216 KDDJQFCLKYKGCF-UHFFFAOYSA-N 444.439 4.706 30 10 IJEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1cc(OC)ccc1OC)C2=O)C(=O)O 2324781174 LWWCPMBNBHHMJD-IBGZPJMESA-N 426.465 4.651 30 10 IJEE Cc1c(OCC(=O)OCC(C)C)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2325068625 OIZDTTDJSNMPPT-UHFFFAOYSA-N 445.309 4.952 30 10 IJEE Cc1ccsc1C=Nn1c(COc2ccc(Cl)cc2Cl)nnc1SCCO 2325911060 QIMBOLCFIZOMAN-UHFFFAOYSA-N 443.381 4.500 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2326058113 GYCUNRLVSZHZSP-UHFFFAOYSA-N 445.932 4.846 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc(F)c1 2326830204 KCQOYGFTMZZQFJ-UHFFFAOYSA-N 426.517 4.945 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccnc2)c1C 2330632467 XOHCZKLPERUQJY-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(O)cc1 2331326386 BPEGKSRAMHNQTB-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)(C)C)c1 2331412624 QCONWHGSCQGPAA-SFHVURJKSA-N 435.597 4.736 30 10 IJEE COCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2331555751 SWHCUJWTHAJWAI-UHFFFAOYSA-N 435.322 4.501 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CCOC 2331669827 AEAOIOVPTAENGZ-UHFFFAOYSA-N 438.520 4.887 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 2331723996 CDEWHMZYSZXMAR-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2339538136 ZEDVODXSRIJSSO-UHFFFAOYSA-N 443.397 4.562 30 10 IJEE C=C([C@H](OCC(=O)O)c1sc(Cl)cc1I)[Si](C)(C)C 2341034730 JZNWWMKCOICAGA-NSHDSACASA-N 430.767 4.582 30 10 IJEE Cc1cc(CNCC2(CCOCc3ccccc3)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2343657140 BBSRKJRLBKTSIR-UHFFFAOYSA-N 435.417 4.771 30 10 IJEE CC1(C)OB(c2cc(Nc3cc(Cl)ccc3Br)ncc2F)OC1(C)C 2345734972 GSMDAZNFIFPYEN-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE N#Cc1cc(F)cc(NCc2ccc(I)c(Br)c2)c1 2349829273 NNESRKKXPGNVFC-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CC[C@H](NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845219 ZBNQTLZXLOSVNA-NZJKTDFXSA-N 448.460 4.795 30 10 IJEE COc1ccccc1/C=C/C=C1/Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C1=O 2424315 MRRILOJBKPQRGJ-QIILOTDPSA-N 443.411 4.995 30 10 IJEE COc1ccccc1/C=N/Nc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1 21080291 ROGPLPSITSZNRG-BUVRLJJBSA-N 446.536 4.533 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)c1 33429690 QLMJEIFIDDARLT-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCC(=O)OCC 37238824 TXNXNEYQTWNEIP-QZGNXELUSA-N 445.600 4.817 30 10 IJEE biogenic O=C(/C=C\c1ccco1)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 96892944 STAQIVISCRLDLB-AXKGWLQCSA-N 442.298 4.993 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 102613994 PBLVRLKVZVTMEX-VFJWVMJUSA-N 444.443 4.620 30 10 IJEE COc1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 169902968 BVPSKJILKAGGPK-ZVHZXABRSA-N 444.940 4.548 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)c1 170008985 CQUBWZIGSGRUDY-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 170054125 JFOBSTCNLHKNBH-DEOSSOPVSA-N 443.499 4.525 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 170121422 SKSKBKNNBGQELH-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc(OC(C)C)c1 170153651 JEIGTLBOBOQSOF-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2cccnc2)cc1 170190777 FEVUIJLJVHGSCO-DEOSSOPVSA-N 431.451 4.889 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccnc2)c1 170197342 APHKBKPMZLQDGF-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 170238569 IPXIHSZYVXQJKD-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)ccc1Cl 170264219 HXOITHAAWXOTEX-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccco1 170291997 XSFYGEFGOZJUNG-KRWDZBQOSA-N 448.258 4.967 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccco1 170294818 HDLIRJDGCKHKHY-LJQANCHMSA-N 433.888 4.719 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(C)o2)cc1C 170305942 IHMHRQCWUPVIIF-NRFANRHFSA-N 439.414 4.966 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 410368706 XAUALVGSWUPMEQ-UHFFFAOYSA-N 436.552 4.848 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2CCC(C#N)CC2)c(OC)c1 441143488 SISRIASWKQPHTM-UHFFFAOYSA-N 444.535 4.616 30 10 IJEE Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446905376 HFEAJQMYGYKPSW-QLOJAFMTSA-N 446.473 4.945 30 10 IJEE CCN(C(=O)Cn1c(-c2scnc2C)nc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 463143412 OPAYPAXMCILZDL-KRWDZBQOSA-N 429.549 4.950 30 10 IJEE N#Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c1 526674411 MHCAZGAVWXSWFB-UHFFFAOYSA-N 426.181 4.666 30 10 IJEE C=CCn1c(C2CCCC2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 548916099 NPPNTRXJNZLIIZ-HXUWFJFHSA-N 425.964 4.727 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 585954093 GSVSZMBXYIEMAA-PMACEKPBSA-N 440.632 4.816 30 10 IJEE N#Cc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 586208967 OMOMRTXJWNFDOL-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3OCc3ccccc3)cc2C1=O 614965948 GPRONARFIGSWRU-UHFFFAOYSA-N 426.472 4.608 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ncc(Br)s2)cc1 616174709 BQOOAEXXCDIRNK-UHFFFAOYSA-N 430.283 4.830 30 10 IJEE C#CCCCCC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686836998 RPVYJWCNWLGYPQ-HSZRJFAPSA-N 428.617 4.881 30 10 IJEE C=CCN(C[C@H](Cc1ccc(Br)c(F)c1)NCCC)C(=O)OC(C)(C)C 721959884 GVRLFVBAMLJHMX-INIZCTEOSA-N 429.374 4.922 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1csc(-c2ccc3c(c2)OCO3)n1 726639210 SQTYRLLCEKFWPY-OAQYLSRUSA-N 436.489 4.557 30 10 IJEE C=C(CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)C(=O)OCC 733870390 KBPHLRQROFMQOC-UHFFFAOYSA-N 448.342 4.560 30 10 IJEE C=CCOc1ccc(OC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)cc1 742860841 LNSSULLSRPTOLB-UHFFFAOYSA-N 431.414 4.616 30 10 IJEE CN(Cc1ccc(OC(F)F)cc1)C(=O)CSCc1cc(Cl)ccc1OCC#N 747844961 BFDJMUNNOQJEPD-UHFFFAOYSA-N 440.899 4.736 30 10 IJEE N#CC1(CS(=O)(=O)NC(=O)c2sc3cccc(Cl)c3c2Cl)CCCCC1 760405587 IBFAYXZRACIYIT-UHFFFAOYSA-N 431.366 4.742 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 789455267 CZJFVZGAUGVPOS-PXNSSMCTSA-N 431.577 4.684 30 10 IJEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 798358159 JUJVSXUQLDUJFS-IFMALSPDSA-N 449.576 4.622 30 10 IJEE CCN(CC)C(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084266830 VMQJTOLXRCNGLW-UHFFFAOYSA-N 432.553 4.518 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 1084589259 SRRMPDYETZDRAA-DFWORDCYSA-N 444.923 4.829 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1nc(-c2ccc(I)cc2)cs1)OCC 1124580076 NRHQIVMTKGIEQO-HNNXBMFYSA-N 442.322 4.725 30 10 IJEE Cc1ccc(NC(=O)C2(CNC(=O)c3cc4ccccc4n3CC#N)CCCC2)cc1C 1126556509 GBOOUMJOZNGPIM-UHFFFAOYSA-N 428.536 4.711 30 10 IJEE CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(COc3cccc(Br)c3)o2)n1 1126685578 HCBQUVYNNBUJCQ-UHFFFAOYSA-N 443.301 4.697 30 10 IJEE C[C@H]1[C@@H](C)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H](C)N1Cc1ccccc1 1130668306 HESZYEDHKBXHTA-QHAWAJNXSA-N 443.547 4.854 30 10 IJEE CCc1c(C(=O)N(c2ccc(C#N)cc2)C2CCC2)nnn1-c1ccc(OC(C)C)cc1 1131371278 FQAQADCIYRJVGV-UHFFFAOYSA-N 429.524 4.688 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(C)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1133163008 IITLHNGJNCBAMY-OAQYLSRUSA-N 437.378 4.720 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2cc(OC)c3ccccc3c2)CCCN1C(=O)OC(C)(C)C 1134572935 AJVBNAVNACJPBH-DWXRJYCRSA-N 436.552 4.819 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 1143641163 HQPLFLVIQKBYTP-QFIPXVFZSA-N 435.524 4.769 30 10 IJEE C=CC1(CC(=O)NCCn2c3ccccc3c3ccccc32)CN(C(=O)OC(C)(C)C)C1 1152050209 NMZCRRODJTXXKI-UHFFFAOYSA-N 433.552 4.724 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 1156300909 YTFKCBRWZAQOIZ-NRFANRHFSA-N 426.582 4.902 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Br)c(C#N)c1)c1ccccc1 1179041755 BOVPHTKKAHCEIV-UHFFFAOYSA-N 430.302 4.701 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1202944000 YNZIBSGHHQUKOG-CQSZACIVSA-N 426.629 4.646 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCN(C4CCCCC4)C3)c2)cc1 1214718676 AZGFNCDYZDGVJP-HSZRJFAPSA-N 432.568 4.860 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1)C(C)C 1220598561 WKMKCMCKAJYTFP-TZIWHRDSSA-N 434.422 4.647 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Cl)cc1F 1222826581 RGPVKUJLKIFXIJ-GOSISDBHSA-N 428.813 4.732 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1 1224523235 STBBSJPSNCUIGL-UXHICEINSA-N 431.458 4.595 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CCOc2ccc(Br)cc21 1252369445 OZRMWVAXPXVVJH-LJCCNALRSA-N 429.358 4.520 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1286357475 VRTILSXFRCZEKF-QHCPKHFHSA-N 449.643 4.633 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CCC)C1 1286357682 ZESRBCACQKEIFK-KRWDZBQOSA-N 437.371 4.583 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN(C(C)C)C1 1286450697 GCJGXAQQVGYAQF-GOTSBHOMSA-N 437.632 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCCOCc1ccccc1 1286524417 HBSLRZBOGOVOSI-RUZDIDTESA-N 449.624 4.623 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)Cc1scnc1C 1286558890 RSIUDYQVCFNNQH-NFBKMPQASA-N 437.613 4.560 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCc1csc(C(C)(C)C)n1 1286724731 RYANQQQFKLFPRU-UHFFFAOYSA-N 431.556 4.766 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1Cc1oc(CC)nc1C 1286742527 KVFZHUTZEOUHNO-UHFFFAOYSA-N 442.523 4.818 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(C)C 1286749360 QCDVMNMSLYYORL-UHFFFAOYSA-N 441.601 4.942 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1nccn1C(F)F 1286760118 JZKMJIVRPLPJGY-UHFFFAOYSA-N 438.482 4.722 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1300275256 RZQZKJKNRUKEHH-QTMHVTGLSA-N 430.980 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C(C)C)N1CCCC1 1300275503 VMDAMHGRAVSBNP-PMVMPFDFSA-N 437.632 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CC12CCOCC2 1300323245 YFGJRTONHVADKC-NHCUHLMSSA-N 436.600 4.564 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccccc1F 1300746390 ROWMQINRLDUCIT-HNNXBMFYSA-N 429.952 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCCC[C@H]1C 1300901902 VORKKNCLHALQTB-QGZVFWFLSA-N 449.441 4.703 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCSC2(CCCCC2)C1 1301044008 BGBWRISYAXPFLR-UHFFFAOYSA-N 433.021 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](OCCOC)C1 1301141407 MQMIHECPYJKCOZ-NRFANRHFSA-N 449.599 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1301150467 UOSAUVJRYAVCJU-GOSISDBHSA-N 438.601 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc(F)cc1)C(C)C 1301155871 YVPPNOHYQOVDEV-UHFFFAOYSA-N 427.568 4.557 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C)CC1 1301175116 YXTZFWFCGGKXKP-SFHVURJKSA-N 429.996 4.844 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1301238893 HADANFKJVCBPKI-SFHVURJKSA-N 439.604 4.612 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@H]1CCCN1C1CCCCC1 1301342047 RHGFSIGIRCUTEJ-XMMPIXPASA-N 432.616 4.702 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC1(O)CCCCCC1 1301365741 XCGBXRBXNNZOKW-UHFFFAOYSA-N 437.613 4.603 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC=CCC1)C(C)C 1301367488 OVRNTRHZIOHGSA-RUZDIDTESA-N 442.611 4.958 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCC1 1301391193 RMCKRMAXPXBJMA-LEWJYISDSA-N 441.620 4.927 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccsc2)C1 1303302181 DTIZULHFXPRKFK-FQEVSTJZSA-N 434.613 4.635 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1306285096 AZEATOPHDYBNRE-KIFXHHALSA-N 434.632 4.810 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 1307452016 BSDKLXXZAIOTLK-MBSDFSHPSA-N 443.950 4.805 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1310257512 RQISPXIOKOVXKI-DEOSSOPVSA-N 429.561 4.896 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1358297719 HRZPGEUZEKGKAS-UHFFFAOYSA-N 433.552 4.902 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCCCC1 1358912247 MQFJXIOHDMYGEG-FQEVSTJZSA-N 443.636 4.965 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCc1ccc(Br)s1 1358996534 INCJKSUCIRHADR-UHFFFAOYSA-N 445.430 4.540 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1C 1359013241 QKTAVXNEMKZXKY-IRXDYDNUSA-N 431.378 4.515 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H](C)N1CCC[C@H](C)C1 1359015391 RWXIIUMNUGLYAG-HBMCJLEFSA-N 425.596 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1359090760 GCDUZQDLTBVOMN-VIZSFHNOSA-N 440.588 4.741 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccc(C)o1 1359104088 XSGQEJTUJJGFQD-WIOPSUGQSA-N 434.584 4.972 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(CCOC)Cc1ccccc1 1359118960 NGGNCICPUSKKAG-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1359120782 BDHXPYPYLPUFON-UHFFFAOYSA-N 434.588 4.684 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@@H](CC)C1 1359124081 FQUIPSZSMDVCCA-KRWDZBQOSA-N 437.407 4.528 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1359193038 VGJVRHHMKAMXJH-MSOLQXFVSA-N 430.597 4.548 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1359199125 LPEVIGUETSDZNA-DLBZAZTESA-N 446.617 4.657 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)Oc1ccccc1)C1CC1 1359247417 ATUMIZDASNJQGH-HNNXBMFYSA-N 442.361 4.658 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)CC(F)(F)F)C1CC1 1359248330 JDJWHINKDGUALH-UHFFFAOYSA-N 448.320 4.901 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(OCC2CC2)CC1 1359285218 PODFSQIZGSGZQE-UHFFFAOYSA-N 431.378 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(C)CCCS2)C1 1359313940 UBJQWGFROVAQTJ-IXFSTUDKSA-N 446.592 4.624 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359345602 KTRVMVNFCDRRPS-LEWJYISDSA-N 442.629 4.541 30 10 IJEE C#CCN(C(=O)/C=C\c1cccc(OCC)c1)[C@H]1CCOc2ccc(Br)cc21 1360557094 NBZINVBUINXDFF-OMCJBDSBSA-N 440.337 4.847 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccc(OCC)cc2)n1-c1ccccc1F)C(=O)OC 1458855805 OTDYOBHVJKIMIE-LJQANCHMSA-N 427.501 4.682 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)c1ccc(Cl)cc1 1465492729 WZOMFAXGBBXGRI-HSZRJFAPSA-N 443.934 4.968 30 10 IJEE C#CCC1(O)CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)CC1 1471522530 YVLDTXAPYAUDMG-UHFFFAOYSA-N 427.548 4.653 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(C)sc(C)c1C 1474918616 IAHZDZBXUVYEAN-UHFFFAOYSA-N 432.380 4.952 30 10 IJEE CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC#N)CC1 1493502934 AANNTOVEQCWORN-SFHVURJKSA-N 440.661 4.602 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1)OC 1496602843 DKYXBBIBWZSQFH-RCZVLFRGSA-N 434.588 4.788 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCC2(F)F)c1 1504330725 BOWJHTVRVVZZAZ-LJQANCHMSA-N 429.515 4.909 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(=C)Br 1507522842 GEPPJGZKAHNGSE-QGZVFWFLSA-N 431.378 4.737 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCc1csc(C(C)C)n1 1507541363 JGVMLYHHWIZSHH-GOSISDBHSA-N 432.597 4.562 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1507566517 JXFSKEUMTPPAPT-UHFFFAOYSA-N 443.636 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1CC(C)(C)C1 1507669456 XFHWYTCBLMMBKF-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)c1nccs1 1507746632 DVMOZZXGRYNFJJ-QGZVFWFLSA-N 448.621 4.556 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1507756102 GGEJYCHNNIEYIU-HXUWFJFHSA-N 442.585 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCC(C)C)cc1 1507765226 KISNYYPIFKOOQN-AREMUKBSSA-N 429.568 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCCc1nc(C)cs1 1507769393 DWDIQXPDJODOTN-RUZDIDTESA-N 449.624 4.945 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(CC1CCC1)CC1CC1 1507787129 CAOKENMFBBBMCE-UHFFFAOYSA-N 436.423 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)S[C@H](C)C1 1507804162 DYSDULFKHSQKMJ-ADGBJGEGSA-N 440.657 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)cc1C(F)(F)F 1507815250 AUCHPZMLTBVCMX-KRWDZBQOSA-N 438.494 4.650 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2cccc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1507875102 NKYIVCPMMMJQHN-KNQAVFIVSA-N 434.943 4.552 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC2(CCOCC2)C1 1507937783 ULBZPBIBTNVOCB-UHFFFAOYSA-N 442.629 4.942 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCc1c(C)noc1C 1508007683 FIHLHHOVRXXJRQ-QFIPXVFZSA-N 439.535 4.699 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nc(C(C)(C)C)cs1 1508013043 JHVOEKARFOHXAC-UHFFFAOYSA-N 437.569 4.655 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)C1 1514053986 CYOVLIOPIYAZDL-AWEZNQCLSA-N 446.502 4.967 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](C)Oc2ccccc2Br)cc1OC 1514990964 YOMBWRRQTSFYFT-UILAEWCASA-N 446.341 4.619 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(Br)ccc3C2)cc1OC 1515499449 ACFZMVHZWYSHNY-WEVVVXLNSA-N 428.326 4.621 30 10 IJEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[C@H]2C)ccc1OC(C)C 1517961837 BDWFRJYTZRIJNW-VUMVONDWSA-N 441.551 4.619 30 10 IJEE CCN1C(=O)C[C@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@H]1c1cccc(C)c1 1522777310 ALFMCOFWACMNBB-WIOPSUGQSA-N 443.572 4.821 30 10 IJEE CCOC(=O)[C@](C)(CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 1529118539 BOUQJROYXCHPDB-AREMUKBSSA-N 428.488 4.601 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1529221557 NSPOURZWJCEVEL-MRXNPFEDSA-N 429.357 4.736 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1OC 1530155083 KAZRYJUOTYVVCF-YIUBDPOMSA-N 431.536 4.992 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2ccc(OC)cc2)n1)c1ccc(Br)cc1 1535483535 MKUXWFBNSQGHEP-KRWDZBQOSA-N 427.323 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCc1ccc(Cl)s1 1539028500 BJPSAWQMDDPLTF-KRWDZBQOSA-N 428.989 4.889 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(OC)CCC(C)CC1 1539155297 QIVNOAZEXOAXSQ-UHFFFAOYSA-N 449.368 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1539338056 UNOACWRXKGVNST-NHCUHLMSSA-N 436.625 4.545 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CCC)CC1 1539343100 DTPFVKOENQDDFS-IBGZPJMESA-N 444.023 4.653 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(c3cccc(OC)c3)CC2)nnc1C(C)(C)C 1539640783 JOAYVOKOJOBIQQ-JTHBVZDNSA-N 438.616 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1539659488 ZAWYPVPRRZXPRY-FQEVSTJZSA-N 442.970 4.838 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2ccncc2)CC1 1539875538 SUKKCANBSFMWBW-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1N1CCCC1 1540006922 HUMOHJVOCNKFHF-UHFFFAOYSA-N 436.629 4.837 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC[C@H]2C[C@H](F)C2)C1 1540887706 BXNWBQOAKGLYTO-BRWVUGGUSA-N 449.368 4.627 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1 1542848654 DDIHDBFZMMEVGZ-UHFFFAOYSA-N 437.540 4.713 30 10 IJEE N#Cc1cc(F)cc(NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)c1 1544396773 GZSUCYNCYQKSDE-UHFFFAOYSA-N 435.268 4.577 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 1556379071 MRKRMKOAFIYCTR-LBPRGKRZSA-N 445.372 4.776 30 10 IJEE N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 1561078928 ABZQUACPZDHDLU-OAQYLSRUSA-N 435.936 4.803 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CCN2CCCCC2)cc1)c1ccc(Br)cc1 1562239632 FUQHBPKFPOGIMC-QFIPXVFZSA-N 440.385 4.974 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@@H]1OC 1562436937 HKSZEZOROXINFD-RLLQIKCJSA-N 449.429 4.683 30 10 IJEE C[C@H](NC(=O)Nc1cccc(C#N)n1)c1nc(-c2ccc(Br)cc2)cs1 1562988850 GHGQGFSPGBKOLJ-NSHDSACASA-N 428.315 4.722 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1563369148 GIGGLPSUOCOCJL-FQEVSTJZSA-N 425.573 4.949 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](CO)[C@H]1CCC[C@@H](OC)C1)c1ccc(C(F)(F)F)cc1 1564406782 NZFSCWLILUHQFE-OJAHFUOMSA-N 428.495 4.578 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)c1nc2ccc(Br)cn2c1F 1565723404 ALFJTTJGEQCRDT-LLVKDONJSA-N 433.306 4.882 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2Cc3ccc(C)c(Br)c3C2)cc1OC 1586948232 UXWNEEPMZULBOC-YFHOEESVSA-N 428.326 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1c[nH]c2c(CC)cccc12 1587594693 XPADPVUPUKGQPS-MRXNPFEDSA-N 432.959 4.738 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CN(C)C(C)C)CC1 1587750457 XYCOGYQLCQEZFC-UHFFFAOYSA-N 446.643 4.797 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)c1cccs1 1588214241 NJIVAASMCWITIN-UHFFFAOYSA-N 427.577 4.929 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1588994304 URFPTYVNJKYKQY-QGZVFWFLSA-N 446.567 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1589543965 DOIFVFCPCJGHHK-DPLHUUCSSA-N 438.616 4.850 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1593807061 HUYURQBQSCFXIQ-IPELMVKDSA-N 436.959 4.950 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)N(CC)CC)CC1 1594192459 IPVQTQQJTHECDO-RBUKOAKNSA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2sccc2[C@@H]1CC 1594449213 UKCYNQXPLWYNPJ-SFHVURJKSA-N 427.618 4.692 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1594455509 QWADCVXSAVRBOI-AGQFNQOXSA-N 442.579 4.757 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cnn(C)c1C 1594472825 JAZUOCFNELRNGM-UHFFFAOYSA-N 429.572 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCCC)CC1 1594521238 MUHGSLOWPWFTRH-NRFANRHFSA-N 428.625 4.528 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1594634370 KIFSVTABGQRWOU-UHFFFAOYSA-N 449.643 4.763 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1594660548 LGYVFZKWBIDJIQ-YPAWHYETSA-N 440.636 4.899 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1594739442 VUYYSQLVJSXAQS-HXUWFJFHSA-N 444.023 4.620 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)C1CCCCC1 1594929670 NPHLYKCKADYDKG-OAQYLSRUSA-N 433.394 4.661 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H](c1ccco1)N1CCCCC1 1594997826 PSVYOLIQEVIMBX-JOCHJYFZSA-N 449.599 4.916 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@H](c1cccs1)N(C)C 1595127037 COIPXBIEHZQTTH-FQEVSTJZSA-N 425.577 4.852 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2cccc(Cl)c2)cc1O 1595453918 ARQPOSDETYPUET-UHFFFAOYSA-N 445.866 4.851 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1595895661 NKSUBAHLMNUVFB-LJQANCHMSA-N 439.629 4.522 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 1617967162 OUZKHRUJUCCAHS-KSFYIVLOSA-N 425.916 4.597 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@@H]2CC)c1 1625725260 KQURICMMINVESM-JTSKRJEESA-N 447.000 4.982 30 10 IJEE C#CCN(CC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1)C(=O)OC(C)(C)C 1629095389 HNKMXLIJPRHRDB-IBGZPJMESA-N 436.552 4.752 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCCC3 1651666066 MAJSBMJGCJJTKB-IBGZPJMESA-N 442.606 4.754 30 10 IJEE C=CCN(CCc1ccco1)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 1653044112 GKEQLUYYEIUPDS-IRXDYDNUSA-N 444.597 4.700 30 10 IJEE C=C[C@H](Sc1nnc(COc2ccc(CC)cc2)n1[C@@H](C)c1ccccc1)C(=O)OC 1656018949 SZXQKZPEBIXPKA-UWJYYQICSA-N 437.565 4.849 30 10 IJEE Cc1ccc(Oc2cc(Cl)ccc2CN(CCC#N)CCN2CCOCC2)c(C)c1 1663525196 GXCNUNQTWUKDES-UHFFFAOYSA-N 427.976 4.797 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 1669158904 WUJQGXKHTNQCOX-UHFFFAOYSA-N 429.307 4.572 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc2c(s1)CCC[C@@H]2C(=O)OCC 1670477763 GEFHELHXGDRHGH-KRWDZBQOSA-N 445.589 4.514 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C(F)(F)F)cc3)cc2n1 1673216130 ULVSUDZJJVTRPQ-UHFFFAOYSA-N 445.489 4.837 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1674020142 DAMLQTIWWBBTQQ-NHCUHLMSSA-N 445.991 4.835 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)C(C)C 1675964415 PJPBAUYKLUBXRO-OAQYLSRUSA-N 439.431 4.524 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 1679251647 CPJJFWMYFGGJAG-OAQYLSRUSA-N 445.485 4.880 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(Cc2ccccc2OCC)C[C@H]1C)c1ccc(F)c(F)c1 1680281437 ZCTJLIRHMVRQSC-KOSHJBKYSA-N 443.538 4.897 30 10 IJEE C#CCN(C(=O)N[C@H](CC)c1ccc(C)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1680928579 FLFJMCHLPWNQQF-OAQYLSRUSA-N 431.552 4.630 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1 1686174069 WFIABNDPNIUUMI-YDFBLROQSA-N 445.485 4.773 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(OCC)CCCC1 1689975150 LZNZMZACUFOCHZ-UHFFFAOYSA-N 437.371 4.583 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccccc1F 1690006562 STYGSKZBEITRRH-GOSISDBHSA-N 432.568 4.586 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1CC 1690037176 OVQCGKIDVUXPMC-QUCCMNQESA-N 439.401 4.997 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1690044868 BODOYJSRRWLPCE-NOZRDPDXSA-N 443.639 4.699 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1690174426 CXNNCQFZCGDTSS-GGAORHGYSA-N 440.657 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC[C@H]1CCO[C@@H](C)C1 1690212228 DPYKCEAGIFHWOL-AOJNWGRGSA-N 436.600 4.671 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1C(F)(F)F 1690255115 OFWPQGXREZLUKX-UHFFFAOYSA-N 437.510 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1OC 1690258555 KGHFEOCZUKROAZ-PKOBYXMFSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSCC1 1690421087 WTANZLDSPXVHSB-SFHVURJKSA-N 430.618 4.972 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1690464862 METSGZSGSSTLIE-UHFFFAOYSA-N 435.576 4.662 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1690477855 IZBBOHBUVVOGIU-UHFFFAOYSA-N 441.923 4.511 30 10 IJEE C=CCCCn1c(N2CCC[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690496131 KWCJVPAQHLYKFB-YSTOQKLRSA-N 429.609 4.784 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C1CCCCC1)N(C)C 1690521161 SHFTYNNSZKDIEL-FQEVSTJZSA-N 446.437 4.840 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1Cc1ccc(Cl)nc1)C1CC1 1690554188 WYJSULWLBCKLOC-UHFFFAOYSA-N 441.988 4.831 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCc1sc(C)nc1C 1690565423 JLGSNKRVWJVNLA-NRFANRHFSA-N 437.613 4.681 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC1(CC)CCOCC1 1690602619 TXNXZDIIFCDFOU-UHFFFAOYSA-N 433.600 4.726 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)CC1 1693696869 GUTZUABGNDLDQI-IMSXRSKXSA-N 434.632 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1Cc1cscc1C(F)(F)F 1705503014 MYAFIPSAURPWFJ-HNNXBMFYSA-N 434.487 4.752 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cscc1C 1705574628 IWRTUZCNWLQVGL-UHFFFAOYSA-N 443.601 4.868 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CC(C)(C)N1CCC[C@H](C)C1 1705625521 NQJMJELRXQTFSF-FQEVSTJZSA-N 437.607 4.835 30 10 IJEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@@H](C)CC 1705665571 XVNQHIJCQIGQPU-OALUTQOASA-N 449.665 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)CN1CCCCC1 1705675412 NXHLGFKVUAZNKU-CJFMBICVSA-N 440.035 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC 1705694571 CLVSMGZILCLRGU-LPHOPBHVSA-N 449.393 4.544 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC 1705697700 XDVKIEMPEOZSOA-KBXCAEBGSA-N 437.357 4.674 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705758664 CLIKRDRTLLEGLC-WOJBJXKFSA-N 444.023 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(CN(CC)CC)cc2)CC1 1705779677 SLEVNUDWRZKNKI-UHFFFAOYSA-N 432.616 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705790115 JLOUCVSYUQXVAI-QGZVFWFLSA-N 429.996 4.696 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(OCC(F)(F)F)cc2)C1 1705917074 UBAGXPBFSAJLDP-VQIMIIECSA-N 438.494 4.562 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC[C@@H](F)C1 1706462371 DMTCJKSKNOSKJF-JQVVWYNYSA-N 441.551 4.695 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1722300769 GNAJLOAQAMTFEV-MRXNPFEDSA-N 430.980 4.578 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](CCOC)C1 1722310146 HXOAYKFTFZHCJR-RTBURBONSA-N 426.630 4.798 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CCCO)CC1 1722310220 IGDLGPUIGRSMKX-UHFFFAOYSA-N 431.584 4.594 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722324517 TVHMFEURFLRLQV-JXFKEZNVSA-N 432.490 4.842 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)Oc1cccc(C)c1 1722347262 XLPATMMGJLYZAJ-OAHLLOKOSA-N 445.386 4.614 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1722465328 JHCHRHPUQYVBRY-NHCUHLMSSA-N 438.641 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CC1(SC)CCN(C)CC1 1722507141 YUESUOGBJFJTBT-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722516243 UAZJKHUHJXTKOD-UHFFFAOYSA-N 437.632 4.595 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](F)c1ccc(Br)cc1 1722518114 UTXPLJYKJRGANE-SJLPKXTDSA-N 437.357 4.658 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722542682 FYIVIUBNXPIECL-FPOVZHCZSA-N 444.023 4.561 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)COCc2ccccc2)CC1 1722567264 RENAFPRBTWJJCW-IBGZPJMESA-N 437.613 4.643 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1722578225 CQWKQKNROMAVOB-UHFFFAOYSA-N 431.462 4.751 30 10 IJEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC1COC(C)(C)OC1 1722605723 PXIFYEMBIGVDJE-UHFFFAOYSA-N 437.588 4.542 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722643650 VLTXYIQTUIFFRQ-WMZHIEFXSA-N 426.605 4.838 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](C)OC)C1 1722711584 VHLSPGJXLQWQET-NLWGTHIKSA-N 448.995 4.505 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)C[C@@H](C)S1 1726722058 CJPLDEIYIIAOBS-HDICACEKSA-N 427.618 4.885 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740573106 ITLRPYSJSRDRDN-NRFANRHFSA-N 436.991 4.573 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCC1(F)CCC1 1740650962 UYJUEUJSQVNMAF-UHFFFAOYSA-N 447.327 4.592 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C)(C#N)CC1 1740711824 SHDUHXYVCBOHFO-UHFFFAOYSA-N 439.654 4.772 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1cccs1 1740722292 GJLBBLBJBBICDB-GOSISDBHSA-N 442.585 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740733830 SKIZUPOTSARLQB-ZDJNHPEVSA-N 433.644 4.566 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC(C)(C)C 1740757266 UFZNYJMIIUFCCL-SIKLNZKXSA-N 442.604 4.816 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCC1CC1 1740757627 WQEOKJFMJSYSPY-XLIONFOSSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740761881 PNEIGKLQZLBHLB-WIYYLYMNSA-N 434.531 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccncc1Cl 1740775991 JZZXCMVYGQNJQY-UHFFFAOYSA-N 425.964 4.973 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1740826595 PWKXLLXBKBEQLA-JOCHJYFZSA-N 428.989 4.648 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1740852758 SHSAWJFDNLKGGX-QZTJIDSGSA-N 429.634 4.887 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 1740856514 UVOXTHIEVVALMP-UHFFFAOYSA-N 425.621 4.643 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1740875926 ACPZGZWQTOGDBO-LQWHRVPQSA-N 428.602 4.867 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740883705 CTGBNISGHXKGRK-CABCVRRESA-N 439.423 4.844 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@H]1OCCC1(C)C 1740937167 UQFICYVXKIAODD-HSZRJFAPSA-N 434.584 4.821 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(C)C)C1 1744872223 CPFKTLZDNIAEJX-RPWUZVMVSA-N 434.632 4.954 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(c2ccccn2)CCC1 1748773528 YRXAPEZWHZNUDN-GOSISDBHSA-N 435.959 4.658 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(OCC)c1 1748833478 SCMAXGXXRYRHNG-IBGZPJMESA-N 444.604 4.651 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1nccs1 1749123986 KIASMDGAGZLAOI-DNVCBOLYSA-N 429.977 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C)CC1 1749124910 RABASMOISUBRAQ-YYDVJCTNSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1749204467 HHQUQHSXMVIYKW-NHCUHLMSSA-N 441.595 4.663 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(Cl)s1 1749231221 ITTSJOJYLGJIJP-UHFFFAOYSA-N 434.968 4.952 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCC1CCN(CC)CC1 1749537809 AXBPFUQFLFWLKM-UHFFFAOYSA-N 444.627 4.963 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1OCC[C@H]1C 1749561873 ZNAOQRATICTUMY-NTKDMRAZSA-N 431.584 4.956 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749764155 UCTGCWHBBYBBHT-HLAWJBBLSA-N 444.670 4.659 30 10 IJEE CSC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1750220091 GCDVACZIIDQVTR-GOSISDBHSA-N 427.618 4.917 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1(COC)CCCC1 1760198782 OTUJWWSRSPUBIF-UHFFFAOYSA-N 445.394 4.922 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1760228730 QCVQSIAOAMTZMY-XMSQKQJNSA-N 445.405 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC1(OC)CCCC1 1760244000 VYFILPZVOPKDPZ-UHFFFAOYSA-N 438.572 4.669 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(Cc1ccc(F)cc1)C(C)C 1760304776 GPJHMRDLSRTHJH-UHFFFAOYSA-N 430.325 4.803 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1760361099 RRGFDRZLEPPOTA-AZUAARDMSA-N 445.633 4.686 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H](C)N(CC)CC)C1CC1 1760472462 LGHPXPHEGHQYEY-INIZCTEOSA-N 432.410 4.593 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(CCC#N)CC1CC1 1760744353 CHPYHFPVSWERRV-GGAORHGYSA-N 427.637 4.982 30 10 IJEE C=CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=Nc1nc(-c2ccccc2)cs1 1772734973 GAEHAIFKPZWAOL-IUBDMJIPSA-N 444.541 4.922 30 10 IJEE COc1ccccc1C=NN=C1S/C(=C\c2ccccc2F)C(=O)N1Cc1ccco1 1772758101 XVVAIOGFRRUUQI-JWZGDWNOSA-N 435.480 4.934 30 10 IJEE COc1ccc2c(c1)C(=O)CC1(CCN(c3nccc(-c4ccccc4)c3C#N)CC1)O2 1859821843 WJORMFQMALZMNA-UHFFFAOYSA-N 425.488 4.633 30 10 IJEE CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc(C#N)c4)C3)n2)cc1 1860665031 GSYYNNSTDGCDCL-OAQYLSRUSA-N 444.560 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862432047 VGTUGSGIRAKFKR-OAQYLSRUSA-N 435.863 4.530 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1862432963 QXUOIXMSOVKKGD-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(C(C)C)cc2)c1 1862493025 GMLNCQLJKVFDNA-XMMPIXPASA-N 443.547 4.971 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862559381 NCFMFHNCQKGFDV-XORNHQRDSA-N 434.536 4.825 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(F)c1)c1cccc(O)c1 1862590270 FLVPSTXOQQTEHQ-HSZRJFAPSA-N 431.463 4.742 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 1862607542 RIGITSXXDYMLJX-NRFANRHFSA-N 441.911 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862690558 RIWWSRFFYQKNLM-IBGZPJMESA-N 433.426 4.948 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862728565 FLRZZYSTYGLKIM-XMMPIXPASA-N 441.483 4.723 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCCCC)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863252626 XBWOKFNBNWOVRE-UHFFFAOYSA-N 432.520 4.638 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2c[nH]c3ccccc23)C1=O 1863498169 GFFHHRBVAOGJHT-UHFFFAOYSA-N 436.309 4.617 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCN(C)C)C1=O 1863531509 ZMCSTMKQOMOHAZ-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866744545 JXMNNZGNKKRICS-DHIUTWEWSA-N 437.609 4.873 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccncc3)C2)nc(-c2ccccc2C)n1 1869151936 KAARQLDDXNWPGJ-HSZRJFAPSA-N 427.552 4.603 30 10 IJEE CC(C)OCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccccn1 1870232729 HJQWTRXYWKOMPU-UHFFFAOYSA-N 449.576 4.801 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871666341 CJSPUJITINOCBD-UHFFFAOYSA-N 438.938 4.929 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1872358323 XUPZOALGCGZPRJ-OXJNMPFZSA-N 445.025 4.710 30 10 IJEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(OC)c1 1872779456 KHIBBYSALQOPON-WHWKNOJMSA-N 426.444 4.995 30 10 IJEE Cc1sc(C2=C(N)N(c3ccc(Br)cc3)CC2=O)nc1-c1ccc(F)cc1 1873529848 NSIAHKKJAZFCOE-UHFFFAOYSA-N 444.329 4.737 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)cc2C)cc2c(NCCC)ncnc21 1873601246 QAQCMCLKYQDUBN-UHFFFAOYSA-N 428.334 4.762 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(Cl)cc1Cl 1874273521 HVXMYGIQBDTQHW-LKYUAURQSA-N 440.400 4.694 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCO)cc1 1874378654 NEWAZDLQZPZTKZ-KOEQRZSOSA-N 442.560 4.544 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(C)cc2)o1 1874438338 VNBPLSIRAZVVSP-YDZHTSKRSA-N 426.542 4.729 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)cc1OC 1874460846 JECVBDOGJFMQCF-YSURURNPSA-N 440.422 4.628 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2nccs2)c(Cl)c1 1874610538 XYDBCZBKVKAMTB-SOFGYWHQSA-N 428.897 4.719 30 10 IJEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OC 1874616534 GHYZFJUBGFXRQC-KPKJPENVSA-N 442.508 4.721 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)OC 1874616658 MRBAHWOWVGRVMW-JXMROGBWSA-N 433.298 4.604 30 10 IJEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC 1874698453 XBNQDNFSLPICHH-NTUHNPAUSA-N 447.443 4.656 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3OC)c2)cc1OC 1874698571 CUPLXOGJZITBTO-ACCUITESSA-N 432.472 4.757 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1OC 1875098635 GLVGUOUJMUYETR-MKMNVTDBSA-N 446.455 4.744 30 10 IJEE N#Cc1cncc(C2=CCN(C(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)c1 1890013099 RIZHSNKLGAGSKC-UHFFFAOYSA-N 425.332 4.920 30 10 IJEE O=C(c1cc(F)ccc1C(F)(F)F)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1890917403 BALFPYCTINRXLR-UHFFFAOYSA-N 436.327 4.942 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)ccc(Br)c2F)C1 1892676912 CYULWZCYTNESAO-INIZCTEOSA-N 431.321 4.991 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCCCC[C@@H]1NC(=O)OC(C)(C)C 1922058292 VTMBEASYWGTRKX-FXSPECFOSA-N 446.632 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cc(Br)ccc1OC 1922106357 CDMMMSIOJALFEO-FGZHOGPDSA-N 434.374 4.632 30 10 IJEE N#Cc1cc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)ccc1F 1951452665 XCTVHHGARVIIDL-SFHVURJKSA-N 444.462 4.794 30 10 IJEE N#Cc1cccc([C@]2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 1951716078 WBHJJNSOAOMLEM-MHZLTWQESA-N 438.483 4.535 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C2(CCC2)C1 2019916518 FGTUAIDIYYXYQK-CABCVRRESA-N 447.498 4.715 30 10 IJEE Cc1cc(NCc2occc2B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C 2039816874 SLXVLFPFZRPHLA-UHFFFAOYSA-N 428.338 4.846 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C#N)c2I)c(F)c1F 2079939347 NAUBVAAVNWSGDI-SNVBAGLBSA-N 429.252 4.853 30 10 IJEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(I)c1C#N 2080025617 QTWZAUJSESOTTI-CQSZACIVSA-N 433.215 4.932 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)c(C#N)cc2F)C1(C)C 2105978143 HCJVJIOHLISUJF-CYBMUJFWSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Br)c(C#N)c1 2180961260 OWIWEGZZLAJDHM-DYVFJYSZSA-N 436.350 4.733 30 10 IJEE CCCc1ccc(C#CC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223324695 PUZFLYRRKQSZBJ-XMMPIXPASA-N 434.580 4.585 30 10 IJEE COc1cc(Nc2ccc(I)c(Br)c2)ccc1C#N 2226050224 OJMBLFDFPPJPFO-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CCC[C@]1([C@@H](C#Cc2ccccc2Br)NC)CCN(C(=O)OC(C)(C)C)C1 2235720204 OZZCABXDQJZFQI-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 2235727548 PQCMIOCEZPGKPA-RTBURBONSA-N 449.414 4.586 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(O)C#Cc2ccccc2Br)C1 2235738764 CMKZOOTUOXBZKC-NJNPRVFISA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](N)C#Cc2ccccc2Br)CC1 2235745634 DPSXGBSFONMCFZ-LJQANCHMSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2ccc(NC(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)cc21 2267096914 LVDSSVTVTNWBCM-ZWKOTPCHSA-N 442.365 4.795 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3cc(F)c(Br)cc3Cl)CC2)OC1(C)C 2282983585 LVEAADWMQOPHRO-UHFFFAOYSA-N 444.537 4.645 30 10 IJEE C=C(Cl)C[C@@H](OCCCN)c1cc(Br)cc(Br)c1OC 2294078668 VPRQAZIDFZTZOA-CYBMUJFWSA-N 427.564 4.769 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2C1=O 2296867516 UYIDDBLWJYIBNE-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(F)c(F)c3)S2(=O)=O)cc1 2297334979 WZNJECQRERQPTO-UHFFFAOYSA-N 440.471 4.759 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2Cc2ccc(Cl)cc2)ccc1OC(C)C 2322034896 BKDOTXGZWXBNSR-UHFFFAOYSA-N 430.961 4.879 30 10 IJEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCCOC(C)C)C3)C1=O 2322333345 AZCZOBVWHIPJJJ-UHFFFAOYSA-N 437.536 4.977 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccccc1OC 2322475418 NTUOZNHKKNQNCY-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCc1ccc(C=NNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Br)cc1 2322659425 LNJUYXOORLYAEK-UHFFFAOYSA-N 431.721 4.657 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C#N)cc2)cc1OC 2326660485 SWMADHCETZTZRT-UHFFFAOYSA-N 435.553 4.902 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccco1 2330635199 TYMCYJNBYWKEBE-UHFFFAOYSA-N 431.521 4.714 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331093901 HEMQNWSRSRMYTL-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)ccc1O 2331286850 QIAKOPFNGZIOAZ-UHFFFAOYSA-N 430.961 4.617 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(O)c(OC)c1 2331299180 DBSRHUCAWQVQOD-UHFFFAOYSA-N 448.548 4.509 30 10 IJEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1[N+](=O)[O-] 2331678763 IXHNZSRYCMATDK-UHFFFAOYSA-N 427.453 4.994 30 10 IJEE CCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1[N+](=O)[O-] 2331698525 JYPBXAMTHDSADZ-UHFFFAOYSA-N 433.844 4.867 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1 2331757254 RISYIDDVSQYBEM-HXUWFJFHSA-N 445.855 4.546 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2334257874 SCJWNJWRLTVTNU-LRSLUSHPSA-N 439.405 4.845 30 10 IJEE CC[C@H](NCCC[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511100 CRZLXFLHWIFZKX-NQIIRXRSSA-N 446.441 4.720 30 10 IJEE CC1(C)OB(c2cc(Nc3cc(Cl)cc(Br)c3)ncc2F)OC1(C)C 2345724221 IUKDMFFXPLIZAZ-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE N#Cc1ccc(OCc2ccc(I)c(Br)c2)cc1F 2349820092 LVDWSXGGELHGTB-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE CN(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2364752804 BKNCROXGKUVGPO-ZEQRLZLVSA-N 446.400 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@@H](O)C#Cc2ccc(Br)cc2)C1(C)C 2370362078 HGAMEJFLLIIZRK-NZSAHSFTSA-N 436.390 4.881 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(C(F)(F)F)cc2)NCc2ccco2)n1 14157355 QDYFOWWNOOFSMG-UHFFFAOYSA-N 448.474 4.660 30 10 IJEE CC(C)c1ccccc1OCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 40899783 BITPPFMDBGDJNS-CQSZACIVSA-N 427.595 4.760 30 10 IJEE C=CCNC(=O)c1cc(-c2csc(C(=O)OCC)n2)n(CCC2=CCCCC2)c1C 43251619 VBVUCTUXJGQZHO-UHFFFAOYSA-N 427.570 4.903 30 10 IJEE C=C(C)COc1cccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)c1 66092318 WKNNCPRGOXGEKV-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2ccccc2Cl)C3=O)cc1 102730282 DSMSBPWTFBHLHD-CIAFOILYSA-N 442.876 4.733 30 10 IJEE CCCCCOc1ccc(/C=N\n2c(S)nnc2COc2ccccc2)cc1OCC 169914301 JQTYAMQISQWEBK-JLPGSUDCSA-N 440.569 4.996 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc([N+](=O)[O-])c1OC 169942904 PBQRJAQABYSBKU-NHDPSOOVSA-N 428.470 4.580 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169957732 WVQPGEDPCQJUNI-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)cc2)cc1 169962122 SSGXMNDKRKNTEA-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccn1 169994480 UYKCAWWQOIEYKV-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 170050060 UETVYFZYUBNITH-OAQYLSRUSA-N 433.847 4.852 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1cccc(C)c1 170145626 HXHGTJPSCXTPML-QHCPKHFHSA-N 437.536 4.645 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccs1 170165972 MOFYKMHOVUIOSK-QFIPXVFZSA-N 434.561 4.821 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(Br)c2)=C(c2ccc(OC(C)C)cc2)C1=O 170172961 JBHMUOLLNMDPAN-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)cc1C 170187203 BQLGEEAVZSGEPH-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccc(F)cc4)[C@H]3c3ccco3)ccc2O1 170296873 VUNFVQPNWBZOLA-CMJOXMDJSA-N 447.462 4.563 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2sccc2C)c1 170317734 RMYKKGBAMRVXAT-SFHVURJKSA-N 449.956 4.723 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170451939 PDBFOYIYNRAPIA-QHCPKHFHSA-N 446.503 4.917 30 10 IJEE COc1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccc(Cl)cc4)ccc3C#N)C2=O)cc1 261526658 GAZFOYZPRSGXNO-FQEVSTJZSA-N 449.919 4.706 30 10 IJEE C=CCn1nnc([C@H](C)Oc2ccccc2)c1SCC(=O)Nc1ccc(OCC)cc1 334161524 BNSFXRZXYQBXQS-KRWDZBQOSA-N 438.553 4.734 30 10 IJEE C=CCn1nnc(COc2ccc(Cl)cc2)c1SCC(=O)Nc1ccc(C)cc1 334162869 SRWCBJYVVAXITF-UHFFFAOYSA-N 428.945 4.736 30 10 IJEE N#CCOc1cccc(CNc2cc(Br)ccc2I)c1 380205607 FWWMXYHYRVNCSI-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE C=CCN(C[C@@H](Cc1ccc(OC)c(Br)c1)NCCC)C(=O)OC(C)(C)C 406762871 KRENMBKFXLYPLN-QGZVFWFLSA-N 441.410 4.792 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 460962926 YWUXYDRSHUYQJU-JOCHJYFZSA-N 445.567 4.531 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N(CCCN1CCOCC1)Cc1ccncc1 475571761 MZNVUQZPBKSHKT-UHFFFAOYSA-N 436.600 4.690 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1coc(-c3ccc(Br)cc3F)n1)CCCC2 484174010 RHLISKNIGCXXNE-UHFFFAOYSA-N 441.260 4.641 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 506722715 ZYGZCRTXMUVQSU-SFHVURJKSA-N 447.453 4.662 30 10 IJEE CCn1c(C)c(/C=N\n2c(C)nnc2SCc2cccc(C(=O)OC)c2)c2ccccc21 526826049 KBNJREWSCUKURB-QFEZKATASA-N 447.564 4.831 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 549690684 WRBRLWVXVJSUAT-OAHLLOKOSA-N 426.508 4.934 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)cc1 550589606 SIMOCYPIQSQXEY-UHFFFAOYSA-N 442.947 4.562 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(c4cccnn4)CC3)cc2Cl)cc1 610093350 DJMWUTWFDHUJKD-UHFFFAOYSA-N 448.914 4.538 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 699596110 PEGDEDPRJBFIQE-CYFREDJKSA-N 445.560 4.655 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cnn2ccccc12 729662116 KENJYJHSOYUOER-HSZRJFAPSA-N 442.544 4.971 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 733201987 ZVWPPPZZDOFAMI-QFIPXVFZSA-N 449.576 4.766 30 10 IJEE COc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1SC 739590181 GUYCSXUWQRSGAL-UHFFFAOYSA-N 439.518 4.855 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)CSCc1ccc(Br)cc1F 741639448 XIIJZTJVOQDJLH-UHFFFAOYSA-N 426.282 4.611 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760965364 JGDKMTPCFFWGHU-GMAHTHKFSA-N 445.563 4.519 30 10 IJEE N#C[C@H](C(=O)CCCc1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 762018921 KKJBVIDIHUFUMB-OAHLLOKOSA-N 427.476 4.753 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2Cc3ccccc3C3(CC3)C2)c1=S 774675338 GKVIQCOTLDMNAW-QFIPXVFZSA-N 446.576 4.617 30 10 IJEE O=C(O)COc1ccc(Br)cc1C(=O)/C=C\c1ncc(-c2ccccc2)s1 794725869 ZZLXJGMLUQYHQL-CLFYSBASSA-N 444.306 4.932 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCc2cc(C(C)(C)C)ccc21 809922304 SDTYEPASONZKLD-UHFFFAOYSA-N 445.567 4.882 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccnc1OCC)c1ccc2c(c1)OCCO2 1124425669 ABRGPPPJJUUUNJ-UHFFFAOYSA-N 446.503 4.663 30 10 IJEE C=C(C)[C@@H](CC(=O)N(Cc1ccc(F)cc1)c1nc(C)c(C(=O)OCC)s1)OCC 1124450528 DYCCHWCQTHYKHJ-GOSISDBHSA-N 434.533 4.672 30 10 IJEE CSc1ccc([C@@H](CNC(=O)c2cc(C#N)cs2)N2CCc3sccc3C2)cc1 1125049274 HZWXSMWWLOCTJG-LJQANCHMSA-N 439.631 4.933 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)c2cc(C#N)cs2)C1 1125973382 CARXKGSQGDIXLU-LJQANCHMSA-N 425.554 4.662 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3cccc(Br)c3)no2)c1 1126175614 APTXLMJUFSFGLI-QGZVFWFLSA-N 440.297 4.715 30 10 IJEE Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)sc2ccc(C#N)cc12 1127112816 AAMSRSSCFGCKTK-NRFANRHFSA-N 432.545 4.908 30 10 IJEE CC(C)c1nc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)nn1-c1cccc(F)c1 1128369301 GDJMQPNZYJPVPZ-UHFFFAOYSA-N 433.365 4.552 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 1128810254 BRKRITLVTRDRSC-RUZDIDTESA-N 442.563 4.766 30 10 IJEE C=CCc1cc(C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc(OC)c1OC 1129431067 GHICURZDHMOTHX-HNNXBMFYSA-N 432.923 4.576 30 10 IJEE N#Cc1ccc(F)c(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 1129714533 APAOEKWTYRTYHP-UHFFFAOYSA-N 438.256 4.964 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 1129784110 IOJYUCATHDZKTG-FUHWJXTLSA-N 441.622 4.939 30 10 IJEE C=CC[C@H](C(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 1135760481 NLFMVUIPIJUSSY-SANMLTNESA-N 425.576 4.785 30 10 IJEE Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 1142006817 HUXSEAOCGUUXGW-UHFFFAOYSA-N 448.910 4.750 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1c(Cl)cccc1Cl 1163571245 RMIHBLAJRZPFIG-OAHLLOKOSA-N 429.344 4.542 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1163598251 JFCPWPORNOFFRR-HOTGVXAUSA-N 437.590 4.557 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)CN(C)C(=O)OC(C)(C)C 1199267325 GIUKOHSCXYWHFY-KRWDZBQOSA-N 438.528 4.975 30 10 IJEE Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c1 1219113110 GYPDNJVPTUNSFN-GFCCVEGCSA-N 426.274 4.562 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC 1224915361 YWSGMRVITOVVNP-AZUAARDMSA-N 431.577 4.743 30 10 IJEE CCOc1ccc(CCCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OCC 1265032635 BDGDINBGYWXVIX-UHFFFAOYSA-N 436.552 4.748 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCS1 1286281237 IDRPESVUINWASB-QWHCGFSZSA-N 425.421 4.513 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286318871 BWIRQXGSKVEGBT-YOEHRIQHSA-N 426.870 4.558 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cscc1C(F)(F)F 1286363194 KTEARQILHOOUEH-CYBMUJFWSA-N 438.450 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)c1ncc(C)s1 1286566345 LSFUYGLOYJFNTC-HNNXBMFYSA-N 426.546 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1286581259 OBGURYFIXDTIHE-GOSISDBHSA-N 445.583 4.571 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286610763 AKYZIMXCRVPWGK-QGZVFWFLSA-N 437.009 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(=C)CC1 1286670561 KNBFDYMCCVTJEN-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(C)s1 1286693817 ZNURFFWZFLVISV-UHFFFAOYSA-N 444.004 4.834 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1286697540 POCDXBZUIMPOPN-OALUTQOASA-N 427.568 4.572 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOCC2(CCC2)C1 1286707081 AXRPLZVLSNMPMC-UHFFFAOYSA-N 438.616 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)SC 1286749455 SMVYWOQYXKQBJC-OXQOHEQNSA-N 442.610 4.796 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCC2(CC1)OCc1ccccc12)C(C)C 1286751206 CKDYLNDCYMQYMR-XMMPIXPASA-N 449.643 4.565 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](CC)Cc2ccccc2Br)cc1 1290545904 JSKXSMQBYVQRJJ-HNNXBMFYSA-N 430.346 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(SC)CCC1 1300276733 QHKZSJGHJSJERL-CYBMUJFWSA-N 437.382 4.590 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(c2cccs2)CC1 1300370985 KIDJGJCANVDDHZ-UHFFFAOYSA-N 433.625 4.645 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1300422016 WIPBRAABUMPXQG-YADHBBJMSA-N 437.632 4.621 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1300601523 IZGPSYBJAVHGOV-UXHICEINSA-N 441.595 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCN(C(C)C)C1 1300908675 ATWUUWDBNXQOJL-OAQYLSRUSA-N 434.632 4.960 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1300937299 PEVVRNXSMQKPLN-UHFFFAOYSA-N 429.355 4.550 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC(C)(C)C1 1300950695 MVEMSURZKMVLJO-RTBURBONSA-N 431.625 4.841 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(OC)C1 1300962690 ADJBITYSMMENPP-HXUWFJFHSA-N 425.360 4.745 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1300970212 LVTNWEVSAOZUSE-KAOXLYBCSA-N 443.680 4.864 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301018532 FMMKJELEBUAABA-PHIMTYICSA-N 448.743 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301144009 SNMMSFZWDXUBTL-UXHICEINSA-N 448.970 4.724 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)nc1)C1CC1 1301316340 BLGKMCNVGAHDQW-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1301368172 YNJSATAQNLEHBC-JJTGBXKASA-N 436.648 4.751 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCCCO1 1301399536 PPVSHKLGPWXSIH-QHCPKHFHSA-N 431.584 4.843 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1301531754 WPIKEMUYWCWIHV-QHCPKHFHSA-N 448.615 4.745 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2nc3cc(Cl)ccc3s2)C1 1301538083 FIZMJTOOCLZIAQ-ZBFHGGJFSA-N 431.993 4.884 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[C@@H]2CC)C1 1301556380 IGUMULOZIXOZES-GBESFXJTSA-N 430.543 4.755 30 10 IJEE COCC1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCCCC1 1310247537 CROAYTVTXWOPBX-UHFFFAOYSA-N 425.504 4.995 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2cc(Br)cc(I)c2C)C1 1311064413 LTWFRHGXCFHWLR-LLVKDONJSA-N 449.130 4.792 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1noc(-c2ccc(OC)cc2)n1 1353056705 PDUNOVAQNRDLMJ-UHFFFAOYSA-N 434.370 4.686 30 10 IJEE C=C(C)COc1cccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)c1 1358196405 MALYCJFQUFZAOQ-JOCHJYFZSA-N 435.524 4.557 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1358911258 ORZGTVZBDKRMFA-FQEVSTJZSA-N 430.499 4.528 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCSCC 1358987250 YHZBDFHPVPWUGV-UHFFFAOYSA-N 449.649 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(C)CCCO1 1359109715 LMNNMIHXHZPFEU-DEOSSOPVSA-N 428.577 4.712 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1359121460 PWYNTLWEYBYUEQ-RBUKOAKNSA-N 436.478 4.693 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCS[C@@H](C(C)C)C1 1359126837 AOLMAANOYNXXEA-FGZHOGPDSA-N 428.646 4.991 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1359154932 HKCUDLMRPJDXNG-LEWJYISDSA-N 445.007 4.869 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359156344 CHIVBIMOZZJEQY-GOSISDBHSA-N 448.036 4.516 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1359161492 GFXCQTVVMYZQFI-GJZGRUSLSA-N 437.407 4.741 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H]1CC)c1ccccc1 1359193327 CFVCGNWZXFBVJG-CEMLEFRQSA-N 444.583 4.910 30 10 IJEE C=CCCCn1c(CC)nnc1N1C[C@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1359216890 HEEMZVUFNDOVCS-JLCFBVMHSA-N 447.942 4.903 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](OCc2ccccc2)C1 1359221757 MIXNGQPAGJMIIA-DNVJHFABSA-N 438.616 4.958 30 10 IJEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(C)(C)C)CC1 1359223103 AMRFEDDBBFOXPF-UHFFFAOYSA-N 437.588 4.595 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1OC(F)(F)F 1359273450 ASTMYMJFPAMCSQ-UHFFFAOYSA-N 449.502 4.759 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCO[C@H](C)C1 1359276462 DJDXPNJXHMVWAK-WOJBJXKFSA-N 436.556 4.597 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 1436683744 AHKDVTAEXUJRDT-GBXCKJPGSA-N 448.588 4.643 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 1444670275 UJLALKSBGZMOMY-UHFFFAOYSA-N 438.281 4.561 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 1454494870 YMSBRDNSIVDREP-MSOLQXFVSA-N 445.387 4.783 30 10 IJEE Cc1c(Br)cccc1C[C@H](CO)CNc1c(Br)cccc1C#N 1458379918 DUMHVBLXRKRNTP-ZDUSSCGKSA-N 438.163 4.655 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1CCC(=O)OC(C)(C)C 1460276353 DAMRQYRFHUIEQD-RBUKOAKNSA-N 445.629 4.996 30 10 IJEE C#C[C@H]1CCCCN1CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 1460913208 FBPQJERKZYGFCM-KRWDZBQOSA-N 430.957 4.671 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c(Cl)c1 1463159643 GJPANSLMCBNBHO-UHFFFAOYSA-N 438.936 4.707 30 10 IJEE C#C[C@H](NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1)c1ccccc1 1465743890 XLKFYDBJUZCIAB-SFHVURJKSA-N 426.339 4.992 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNCc2c[nH]nc2-c2ccc(Br)cc2)c1 1474007505 FRTBHIQHQQEAPW-IBGZPJMESA-N 425.330 4.810 30 10 IJEE CSCC(C)(C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1476551570 CLAZGKIUVNFXQT-UHFFFAOYSA-N 428.505 4.887 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 1478273587 ZHBDJIKLLPOOBW-NHCUHLMSSA-N 447.501 4.711 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](CC)C1 1507571170 RUKCUGDAYVBJST-QGZVFWFLSA-N 431.378 4.659 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCCC1(C)C 1507703122 ZXLKISLYGCIENK-VWLOTQADSA-N 426.580 4.587 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCOC1CCCC1 1507770382 NKZBXJICSIABHX-XMMPIXPASA-N 426.992 4.864 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)CC(C)(C)C1 1507787834 LBXFDGYNDGWBIW-CYBMUJFWSA-N 439.348 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)C1 1507799591 WWWXQDGNQSMXKN-QSFXBCCZSA-N 445.405 4.843 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ncc(CC)s1 1507852512 APUAFBODDHQXKY-CQSZACIVSA-N 435.956 4.965 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1507908968 MIGMDWXTJKHHJU-IBGZPJMESA-N 444.023 4.645 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CCN1CCC[C@H](C)C1)C1CC1 1507995456 KGZCUQMNQFQUGO-FQEVSTJZSA-N 425.646 4.766 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1(C)C)C(C)C 1508011616 UHUKVYDPODQGIP-HSZRJFAPSA-N 432.616 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(C)C)C1 1508118901 XXCVFZDROYLZDB-MRXNPFEDSA-N 437.357 4.674 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)OC 1513275617 FFAXJGWBDZLGLM-UHFFFAOYSA-N 445.995 4.846 30 10 IJEE CCCC1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1514359861 DHOFMWGDIPTYAI-QGZVFWFLSA-N 431.993 4.533 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)CCCN1C(=O)OC(C)(C)C 1517975928 PNNRJHQHHOQRKY-OFVILXPXSA-N 446.588 4.623 30 10 IJEE O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(OCC(F)(F)F)cn1 1519559542 FIQYKXXZRBJXFF-ZDUSSCGKSA-N 430.707 4.849 30 10 IJEE C=CCC[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccccc1 1521614520 DFRSIXFIOCZUOV-JIVYGXRASA-N 438.524 4.728 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1524576850 AWZSCJQLRZIDDU-UHFFFAOYSA-N 440.931 4.745 30 10 IJEE C=CCC(C)(C)CNC(=O)c1c(I)ccc(Br)c1F 1526762948 VQQQSELHSIEXCX-UHFFFAOYSA-N 440.094 4.525 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1OC 1530305637 JRJMQRFVNKDLBC-RIYZIHGNSA-N 433.483 4.725 30 10 IJEE C=C[C@@H](OC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1)c1ccccc1 1532001669 LEMVTHPHPKDGHW-OAQYLSRUSA-N 438.501 4.937 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)C(F)(F)F)cc1 1532570220 NNXHKXHWCBABOL-SFHVURJKSA-N 437.780 4.810 30 10 IJEE C=CC[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1ccccc1 1533929764 MGTTWRQDDWYFGM-ZWCUEREDSA-N 430.951 4.717 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CCCN1C(=O)OC(C)(C)C 1534656240 GOQVMSPMOVNMFA-HSZRJFAPSA-N 436.499 4.874 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 1535721070 ACHZNLDUNJEJEH-VXKWHMMOSA-N 427.386 4.890 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(C)c(Br)cc3C2)cc1OC 1536264679 IDZLWKBQIBTZAA-SOFGYWHQSA-N 442.353 4.929 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)c1 1537134787 POXCGLCKGIKIQC-HSZRJFAPSA-N 438.527 4.653 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCSC[C@H]2c2ccccc2OC)c(OC)c1 1537210576 BOWPCPBYRIQNBK-FQEVSTJZSA-N 427.566 4.518 30 10 IJEE Cc1c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)oc2ccc(Br)cc12 1538230270 BWDOGODCVODRJY-UHFFFAOYSA-N 439.244 4.953 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1538547305 DRXQNOVLFBAIII-UHFFFAOYSA-N 444.362 4.562 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539743433 GUOAOILVLDKRIS-GDBMZVCRSA-N 428.886 4.826 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1539759314 QSXVTTFADPNZRM-XMMPIXPASA-N 444.645 4.867 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CC2(CCOCC2)C1 1540154682 AUDPFPJYOJTXHY-IBGZPJMESA-N 440.563 4.942 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C#N)CC1 1540919992 KUHNVTPUYMNMJQ-UHFFFAOYSA-N 439.629 4.814 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)C[C@H]3C(=O)Nc4ccc(F)cc43)c2)cc1 1543118209 BFHNBRVJLHXWRU-JOCHJYFZSA-N 429.451 4.535 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)C[C@@H]1C 1544457714 HCQGCZGQESQRQQ-PMACEKPBSA-N 444.583 4.584 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2c3ccccc3CC[C@H]2CN(C)C)s1 1544479064 AFOIAMAXXRXHMV-KRWDZBQOSA-N 436.046 4.748 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 1544965520 AYUQCGMAWZMWRG-UHFFFAOYSA-N 449.308 4.895 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccccc1Oc1cccc(Br)c1)C(=O)OC 1558381152 HVGWWFXBROOBCP-GOSISDBHSA-N 432.314 4.869 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(c2cccc(Br)c2)CC1 1564091726 FPVISCRDJFCPOL-RTWAWAEBSA-N 438.369 4.962 30 10 IJEE C=CCC1(NC(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCCCC1 1564329523 DPSGUDKLLJFKEG-UHFFFAOYSA-N 445.560 4.705 30 10 IJEE C#C[C@@H](NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(Cl)cc1 1583549499 MDECMXMOGFTJNG-GOSISDBHSA-N 444.844 4.921 30 10 IJEE Cc1cc(Br)c2oc(C(=O)Nc3ccc(Br)c(C#N)n3)cc2c1 1585749807 DVXNNYOHPKWOFQ-UHFFFAOYSA-N 435.075 4.785 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC 1585853956 SIGNKRGWCYREEL-UHFFFAOYSA-N 440.499 4.862 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@@H](C)C1 1588089645 MARPXUUXOOBUMA-OFNKIYASSA-N 425.580 4.862 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H](C)SC 1589234683 XNXHHVWVDCOEJJ-FDDCHVKYSA-N 447.048 4.995 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(F)(F)F)CC1 1589505856 OSIDTMUMEGDQPN-IEBWSBKVSA-N 438.494 4.997 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC(C)(C)C1 1589558496 LDJDXBXKNQOQFX-XUZZJYLKSA-N 438.616 4.680 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(SC)CCOCC2)CC1 1594013560 HTXKZLWMPNMESX-GOSISDBHSA-N 446.592 4.626 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(COC)CCC2)CC1 1594071024 WFUUFVGWKUVZIF-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CCC1(C)CC1)C1CC1 1595065696 WBXATQRZNHHOAM-UHFFFAOYSA-N 431.378 4.965 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC)OC 1595127322 MIEIBXOAUQMGRG-SFHVURJKSA-N 429.927 4.750 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1(OCC)CCCC1 1595148953 DFMGDZYIIUDBMS-UHFFFAOYSA-N 425.602 4.887 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCc2ccccc21 1595228441 CITRQRPIXYZXMZ-FQEVSTJZSA-N 447.608 4.568 30 10 IJEE Cc1cc(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)nn1-c1cccc(C#N)c1 1595497760 CABRXYIGIPBBLU-NRFANRHFSA-N 449.352 4.868 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)n[nH]2)c1C 1595767362 DDUWTSBLUIAFGD-UHFFFAOYSA-N 432.459 4.655 30 10 IJEE CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1607686202 AUVAYAIRGQOTOE-ICSRJNTNSA-N 429.515 4.503 30 10 IJEE Cc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3cc(C#N)ccc3Cl)s2)cc1 1621800604 DXKRKCOIEMZCNV-AWEZNQCLSA-N 431.970 4.992 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc2cc(Cl)ccc2s1 1626799688 ZGTDYALBCNMIJB-CYBMUJFWSA-N 430.357 4.602 30 10 IJEE C=CCC1(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCC1 1627417256 JOQNMTXMJOIMKJ-UHFFFAOYSA-N 434.508 4.632 30 10 IJEE CC(C)c1ccc([C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)NC(=O)OC(C)(C)C)cc1 1628499893 ANFMDDKKRLFUEW-CJFMBICVSA-N 425.573 4.966 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1628948153 OLOGMAUWKHIDQU-ZEQRLZLVSA-N 430.548 4.564 30 10 IJEE C=CCCONC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 1630748838 XREYSTDCPKQJOT-UHFFFAOYSA-N 449.743 4.685 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@@H](Cc1ccccc1)C(=O)OCC 1632978569 WWMUEIBPXFILOS-QFIPXVFZSA-N 437.927 4.533 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCOc4c3ccc(Cl)c4Cl)n[nH]2)c1C 1634833857 BXCJMYPWAIWZHS-HNNXBMFYSA-N 446.338 4.636 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)OC 1634884040 GNJSNXSAXULILL-QFIPXVFZSA-N 437.927 4.820 30 10 IJEE N#Cc1ccc(S(=O)(=O)CCN2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cc1 1644778638 HSLYIPJPBMXAMZ-UHFFFAOYSA-N 435.376 4.818 30 10 IJEE N#Cc1ccc(C2CCN(CC(=O)Nc3ccc(Br)cc3Cl)CC2)cc1 1648462972 ICCHLVINMDEAMT-UHFFFAOYSA-N 432.749 4.792 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1OC 1653059411 WUTZCDSIRUTFRC-UHFFFAOYSA-N 436.980 4.746 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1)c1ccc(Cl)cc1 1655554447 LBYRDENPOWTHEH-QFIPXVFZSA-N 427.909 4.794 30 10 IJEE C#CCN(Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)[C@@H]1CCc2ccccc21 1659182244 MOLCAAJXRWQYHS-ZJSXRUAMSA-N 434.580 4.960 30 10 IJEE CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)c(Br)cc1C 1660781004 FFJFGPDBWFBHLO-ZDUSSCGKSA-N 425.323 4.540 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)C(C)C 1666759311 TZQGPYXAOKSEHD-HXUWFJFHSA-N 435.494 4.711 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 1667628196 DOTYYSCSBKBBFE-LJQANCHMSA-N 430.524 4.587 30 10 IJEE CC(C)OC(=O)[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1669509339 IBKHISBLUDRCPZ-ZDUSSCGKSA-N 435.402 4.831 30 10 IJEE CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NCc1cccs1 1671555654 CQEUIVQXJSBYGB-UZUQRXQVSA-N 446.576 4.742 30 10 IJEE C=CCC(C)(C)CNC(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1673085077 HKTXKQFYXFYPAJ-UQBPGWFLSA-N 443.588 4.791 30 10 IJEE C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1675730673 BAXDWAZNYALILC-HXUWFJFHSA-N 448.611 4.587 30 10 IJEE C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(c1ccccc1)c1ccccc1 1676319495 BUUDLWJRKJDDQY-HXUWFJFHSA-N 442.538 4.750 30 10 IJEE C=CCC[C@H](NC(=O)NCC(=O)N1CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 1677587548 KNABQBAULYSAFP-FQEVSTJZSA-N 445.485 4.991 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 1678040076 MHQMCLLYLHDWNF-GOTSBHOMSA-N 427.976 4.720 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2cc(O)ccc2C1 1686303421 FUJHGTXPGGSANL-GOSISDBHSA-N 433.321 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](SC)C(C)(C)C 1689838256 WOVSYAJPQHRIPU-RHSMWYFYSA-N 435.435 4.943 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(COC)CCCCC1 1689973620 JPTXNIKXGDXZCC-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CC(F)(F)CO1 1690257746 SJBUIIIPUHHLHR-QGZVFWFLSA-N 427.499 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690430313 ICEDINVSQMGNKY-UHFFFAOYSA-N 432.616 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@@]1(OCC)CCOC1 1690439546 IZNATOFWGYYNOZ-HOYKHHGWSA-N 430.568 4.869 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690472589 QUYOUBRFGRTGDG-RBUKOAKNSA-N 437.519 4.576 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690506379 MDMJYKTZAKRVHM-QGZVFWFLSA-N 447.505 4.808 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC(F)(F)C1)C1CC1 1690535725 GAKHXXBEJAYYQU-KRWDZBQOSA-N 429.515 4.737 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1nccs1)C1CC1 1690537816 UCMONHYUPAEMBY-OAHLLOKOSA-N 429.977 4.926 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ncccc1C 1690586479 OEAFYIFIFBBWKB-UHFFFAOYSA-N 442.336 4.777 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C 1690603546 DEFAKKVGKKGGGU-FCHUYYIVSA-N 426.605 4.816 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](OC)C(C)(C)C 1690605707 USZAXFJGNHXJJR-JOCHJYFZSA-N 433.556 4.706 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCCN1CCCCC1 1705483876 DUKLVJJVVHWLRA-LJQANCHMSA-N 444.023 4.721 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1ccncc1 1705484844 XQLCBJSGOHMQEH-QGZVFWFLSA-N 431.540 4.908 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1705524436 LTNGKJYXGQUPGP-XMSQKQJNSA-N 442.991 4.880 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(NC(C)C)CC1 1705527073 QNYGJKDBVMQODH-SFHVURJKSA-N 425.646 4.512 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C1CCCCC1 1705617809 IKKBYSZWVZRNOV-UHFFFAOYSA-N 446.064 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)[C@@H](C)C1 1705710600 YTBISVYQVXOENO-GFMPLVLUSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1nccs1 1705712023 WWEWYNPCENTYER-AWEZNQCLSA-N 449.422 4.709 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1csc(CC)n1 1705713246 YKRXYYGVNYHTBV-UHFFFAOYSA-N 447.612 4.999 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1705721437 ZKAYHRAHBKTOCB-XLIONFOSSA-N 439.947 4.700 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 1705743781 IEJDKBRHEHYREM-CEMLEFRQSA-N 438.616 4.914 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C)cc(OC)c1 1705837986 WQNJGCSTQYGZJC-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1705947899 BKQMWCVHNWNFND-HXUWFJFHSA-N 426.611 4.897 30 10 IJEE COCCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(C#N)CC2)CCC1 1712334817 IBBJANGALDIFRJ-UHFFFAOYSA-N 443.979 4.554 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1712882857 HIAAXNXNJLDCJB-MJGOQNOKSA-N 446.020 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCC(C(F)(F)F)CC1 1722296696 UIDSMZVANKEREH-MVBPIPQGSA-N 448.489 4.617 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1722325886 MPAZDBFZWLKPMJ-SFHVURJKSA-N 440.016 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CC1CCC(C(F)(F)F)CC1 1722472172 FOPIOFNCBZYZFG-RWWKDMOOSA-N 431.506 4.625 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC=C(C)CC1 1722493027 VWKYFWAOGYBRCJ-DXIQSLLYSA-N 426.536 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722518406 GATZGPPADADETJ-BQJUDKOJSA-N 448.652 4.634 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 1722592918 BSOSLGIDJFNOFA-WOJBJXKFSA-N 431.669 4.720 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1722605976 ZZDXVSRGNRHVJI-UHFFFAOYSA-N 430.600 4.564 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1722635709 CQCCFZMOQXPODB-MRXNPFEDSA-N 433.984 4.724 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1C 1722657237 VSFXTEAPKCQLPD-GBXCKJPGSA-N 426.568 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(CC)CCC2)C1 1722710429 ITBYDWMCXDXNCD-GHTZIAJQSA-N 428.552 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](SC)C(C)(C)C)C1 1722722426 OUACGNUWUGGQJH-QUCCMNQESA-N 432.609 4.567 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1OC 1740579036 OJQJWOGDQUKRBJ-FYYLOGMGSA-N 438.616 4.688 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 1740735976 CVOCDZVYGRKXGH-IBGZPJMESA-N 449.393 4.504 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1740814872 GIEXUKKHVLMZHE-GOSISDBHSA-N 445.007 4.912 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCCN2CC)CC1 1740827948 QEKDQDFGFYMBIB-JOCHJYFZSA-N 437.632 4.930 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1740871775 NSWKSGCIZSFREG-FDDCHVKYSA-N 440.588 4.711 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1cccc(C)c1 1740880157 DOLUARHPZRTPSS-FGZHOGPDSA-N 426.605 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1CCO[C@@H](C)C1 1740893270 DHQRLTZWQDRYRI-GJZGRUSLSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1(CC)CCOCC1 1740915260 ZRKZZBVQADDIAZ-UHFFFAOYSA-N 444.583 4.555 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1C[C@@H](C)O[C@H](C)C1 1748935204 PFWNEFHIKKNIGN-NHCUHLMSSA-N 438.616 4.952 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749103861 FNRVVAIIVOHLCF-KDOFPFPSSA-N 447.377 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nc(C)c(C)s1 1749149008 NXAAJIFXKVPEBB-UHFFFAOYSA-N 441.601 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1c(CC)noc1C 1749171457 WCEXVAHUEMTYQK-UHFFFAOYSA-N 429.952 4.820 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2Cc2nc(C(C)C)cs2)CC1 1749348738 XZCATGVACPHCBS-UHFFFAOYSA-N 437.613 4.930 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1749429773 OIPPJDKXDXDAOE-IBGZPJMESA-N 431.378 4.852 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)c1ccsc1 1749564950 GNRVOUNXASBZRO-XMMPIXPASA-N 431.565 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCc1c[nH]c2c(C)cccc12 1749579367 NDXGUXLZMWBKQW-UHFFFAOYSA-N 432.597 4.845 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1C[C@H]1C 1749586111 MCFXUWZFBJIMTE-HZPDHXFCSA-N 444.377 4.530 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(C)C)C1 1749745950 MTWKCYFVYOIOBW-JOCHJYFZSA-N 437.613 4.582 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(CC(F)(F)F)CC1 1749762425 ULQXHLAXHJJXLP-UHFFFAOYSA-N 445.580 4.722 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCS2)C1 1750378022 DTLDFJAUAPOQIZ-APWZRJJASA-N 437.997 4.561 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCS1 1751247328 AEKBMLFYIPRUCG-JXFKEZNVSA-N 429.565 4.583 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)N(C)C)C[C@@H]1C 1752217119 ANWCAPNJDKURMI-NMMYMHLASA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCC[C@H](O)C1 1760101813 VMGIVOJVIJBVJM-JYJNAYRXSA-N 428.989 4.822 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(C)CC1 1760319953 VKBHANQUKKNTRY-AZUAARDMSA-N 430.499 4.684 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1cccnc1OCC(F)F 1760332585 HIVSADFPVWIKJD-UHFFFAOYSA-N 431.462 4.574 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC#N)CC1 1760351166 BFQHUKVMEDPDGM-UHFFFAOYSA-N 439.629 4.998 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nccn2C(F)F)CC1 1760381797 ANVAEYREONFAFO-OAHLLOKOSA-N 448.905 4.868 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC(C)(C)C1 1760412553 NSPOKMKLYWFDKT-FQEVSTJZSA-N 440.588 4.787 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1760435581 OGGYUSVMROLWTL-KRWDZBQOSA-N 429.540 4.544 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CC[C@H]1C2 1760446629 XWVOMELTQQUWOE-WMZOPIPTSA-N 431.378 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCCC1 1760499947 QDQYHDIIZWBPJA-UHFFFAOYSA-N 439.991 4.913 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CCc3ccc(O)cc3)cc2C1 1762807675 AGNDNWJVOJLAPN-IAGOWNOFSA-N 435.597 4.818 30 10 IJEE COc1cccc(/C=C2/SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)c1OC 1772736905 KBAHMQHOSIJFSH-YOTBKHOGSA-N 438.534 4.672 30 10 IJEE CCCCCCCCCNC(=O)CCCCCNC(=O)N1CC(=O)Nc2ccccc21 1860355974 TVTAUXYLDCRLCP-UHFFFAOYSA-N 430.593 4.582 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 1862384839 BNOMIWWHOFCJOO-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)cc1 1862390864 NPJLZEXASHEJAN-HSZRJFAPSA-N 438.543 4.698 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 1862390988 PYQRPTNXRFQDIC-ISKFKSNPSA-N 449.547 4.795 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(Cl)cc2)cc1 1862391480 BDCVDKVIILSLSP-NRFANRHFSA-N 427.928 4.643 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Br)cc1 1862423142 VYRDUVQSNCMWTM-KRWDZBQOSA-N 436.252 4.716 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 1862476664 MWTGSDZNEYFENJ-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccccc2F)cc1 1862516003 XJGBYVNNQLTTQJ-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862598785 ZLAQPQXFLPYYNV-POCHDABASA-N 435.520 4.948 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(F)cc1F 1862640371 HHTZRZNPCXHYTB-HXUWFJFHSA-N 433.426 4.881 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccccc2Br)cc1F 1862646920 RGJBIKXTNTTXQV-GOSISDBHSA-N 448.288 4.584 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2nc3ccccc3[nH]2)c1 1862673356 DDOPSZJGOIEHQZ-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE COc1ccccc1C1=C(Nc2cccc3cccnc23)C(=O)N(c2cccc(C#N)c2)C1=O 1863060048 IZHWDBPKBBJJKM-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2ccc(F)cc2Cl)C1=O 1863063554 SSGMDMZWSIYSEW-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866744548 JXMNNZGNKKRICS-XZOQPEGZSA-N 437.609 4.873 30 10 IJEE CC(C)[C@H](C(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(F)cc1 1866972220 YBEXCBANDCZHPR-ZEQRLZLVSA-N 429.495 4.933 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C(\C)c1ccc(CC)cc1 1868661608 SCFLYIWWFHPNAH-MHOQICJOSA-N 434.555 4.720 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccccc2C(F)(F)F)cc1 1870159837 UPHUIKOZICHYBQ-UHFFFAOYSA-N 429.402 4.589 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CN(CCC)CCCC)cc1=O 1870387954 AIIPSNOIRCUUBK-UHFFFAOYSA-N 428.573 4.513 30 10 IJEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN1CCC(C)CC1 1870593083 FNZVUTDIDZCCMI-UHFFFAOYSA-N 432.564 4.877 30 10 IJEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870833180 BJELIYKRZQTFRM-JOCHJYFZSA-N 438.572 4.865 30 10 IJEE CCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)C1 1871352376 DXYYJIDJUXBNFA-UWVJOHFNSA-N 427.884 4.693 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1OC 1871394895 WOIDAAQQDRVPFU-QFEZKATASA-N 443.499 4.584 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4cccc(C)c4)CC3)C2=O)c1 1871397605 BVHNYNDDEGSZIK-ONUIUJJFSA-N 440.543 4.947 30 10 IJEE CCCCN(CCO)Cc1c(O)cc(C)c2c1O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871397669 GPRZCOKVUQMAGD-IWIPYMOSSA-N 448.563 4.886 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)o1 1871439048 FLGCSOHTDUDQQX-UUYOSTAYSA-N 434.444 4.969 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)cc1 1871454512 OFDMXSUJHQYLGV-JJFYIABZSA-N 435.863 4.982 30 10 IJEE C=CCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 1871525306 TZGUTTUCERLMPP-UHFFFAOYSA-N 428.584 4.711 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871791057 LQTMZVGQOLMVNZ-SFHVURJKSA-N 434.989 4.778 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760446 OORKQCHSSDFCRQ-QGZVFWFLSA-N 435.461 4.538 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OC)cc1C)n2Cc1ccccc1 1873613020 SXPJEHXNNHPECI-UHFFFAOYSA-N 427.508 4.647 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCCCn3ccnc3)ncnc21 1873640093 AVMWKXPYAMHKAH-UHFFFAOYSA-N 449.946 4.530 30 10 IJEE Cc1c(CCC(=O)Nc2ccc(Cl)cc2Cl)c(=O)n2c([nH]c3ccccc32)c1C#N 1873945860 MMSRXTMCFOWWPW-UHFFFAOYSA-N 439.302 4.839 30 10 IJEE CCCOc1cccc(/C=N/n2c(COc3ccc(OCC)cc3)nnc2SC)c1 1874234508 LPLKGOOLQOQNLA-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCOc1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SC)cc1OCC 1874315362 OZVXEBFNZPISRH-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874329522 SNBBDKUTZVPWIY-WSDLNYQXSA-N 429.933 4.846 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccs1 1874332841 ZHEIDVGUZMTRFT-OEAKJJBVSA-N 442.610 4.669 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccc[nH]2)cc1C 1874426246 YEXPHJQUKRTTPW-AFUMVMLFSA-N 430.537 4.503 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(F)(F)F)c1 1874459362 JJWSMCVOXGFZEE-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1c[nH]c2ccccc12 1874507274 UQFQJJWBFHBBCU-ZMOGYAJESA-N 437.525 4.656 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2)c1 1874512150 YUAKTWSVACUBGM-FSJBWODESA-N 427.961 4.976 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1C 1874528747 YSZDADKXRMXAHS-OPEKNORGSA-N 447.486 4.835 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)NCc1ccco1 1874594922 KOCZEEWYNXKNDL-CSKARUKUSA-N 425.868 4.533 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccco2)c1 1874600342 HLNQKDZPCBBAIA-CMDGGOBGSA-N 439.895 4.841 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 1874610068 YZYMPEPOHPOWPU-QLKAYGNNSA-N 435.451 4.757 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1874621081 IXXWABHDLWVQSZ-XYOKQWHBSA-N 429.472 4.946 30 10 IJEE O=C(/C=C/c1cc(Br)c(OCCO)c(Br)c1)c1ccc(F)cc1 1874625252 UHFXPSRNEKNVSQ-LZCJLJQNSA-N 444.094 4.618 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(C3CCC3)cc2)[C@H]1c1ccc(C#N)cc1 1892140412 WGEPHGGNCDREPZ-DNQXCXABSA-N 433.577 4.858 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 1963656281 QGAIPCGPAKFVEN-IIYDPXPESA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCN(Cc2ccc(Br)cc2C#N)C1 1966310928 VXHQRBOJQOHLOJ-QFBILLFUSA-N 434.378 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C(C)(C)C1 1986944587 MFPJACKAWSELJZ-LJQANCHMSA-N 435.487 4.715 30 10 IJEE C[C@H]1CN(c2cccc(Br)c2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297731 XUBQMOWXMOTSPK-IYBDPMFKSA-N 428.330 4.557 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2016128496 RHTDASDDKLVSSU-ZWCDFLAXSA-N 426.557 4.680 30 10 IJEE CN(C)Cc1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079175130 CWEBFJJHMMQAPU-UHFFFAOYSA-N 434.153 4.873 30 10 IJEE COC(=O)c1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079199578 FVFQBFBVTKOHNE-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE CC(C)c1nn2c(O)cc(-c3ccc(C(F)(F)F)cc3Br)nc2c1C#N 2080829324 LJGVFLIVWZJXIG-UHFFFAOYSA-N 425.208 4.878 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(Br)c(C#N)cc2F)C(C)(C)C1 2132479679 KMQLQBJPPNVDCW-LBPRGKRZSA-N 426.330 4.589 30 10 IJEE CC1(C)OB(c2ccc(CNCc3cc(Cl)ccc3Br)cc2)OC1(C)C 2151191699 CFTIFKXSGDZHDI-UHFFFAOYSA-N 436.586 4.692 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(c3ccc(C#N)c(Br)c3F)CC[C@H]21 2174809206 XKHNHZLUSZMPKB-HUUCEWRRSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1Br)[C@@H]1CC=CCC1 2196084968 IGWCFMPKMRUJEQ-RHSMWYFYSA-N 434.334 4.509 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@H](N)C#Cc1ccccc1Br)C1CCCC1 2235717600 BOSAMNDKQLHTFD-RTBURBONSA-N 435.406 4.849 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 2235733095 TWUCMLNOXJPLIH-NVXWUHKLSA-N 445.348 4.717 30 10 IJEE C=C(c1ccccc1)[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237404512 HOKMULQKDHYVPK-UXHICEINSA-N 432.358 4.959 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(OCCNc2cccc(Br)c2C#N)ccn1 2240649656 MAHFZLRSGUGUAZ-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE C=CCCC1([C@@H](O)Cc2cccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266217293 SAFIQDWQNCNCDB-INIZCTEOSA-N 428.342 4.695 30 10 IJEE C=CCCC1(C(=O)Nc2cc(Br)cnc2Cl)CN(C(=O)OC(C)(C)C)C1 2266277655 XFFPOAZEHDKLEH-UHFFFAOYSA-N 444.757 4.639 30 10 IJEE Cc1ccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1CNC(=O)OC(C)(C)C 2267097260 YQTBZZYEAYNDSE-UHFFFAOYSA-N 444.381 4.831 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c2ccccc21 2267502509 OUOMXEFHNVXCFZ-QGZVFWFLSA-N 442.365 4.616 30 10 IJEE CN(c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)[C@H]1CC[C@H]1OCc1ccccc1 2285380436 HVEBJNZNVQPCRU-LOSJGSFVSA-N 444.384 4.718 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1[C@H](O)C#Cc1cccc(Br)c1 2296217120 QTJCHBMDNBOTQB-FRYIKTPZSA-N 434.374 4.730 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C 2296219390 NSOAXIGWEUEPFR-IAGOWNOFSA-N 445.348 4.669 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C1(N(C)C(=O)OC(C)(C)C)CCCCC1 2296278213 BIHQLEVYVVNJSW-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296289085 NWMARJZPKDDQNJ-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@]1(C)NC(=O)OC(C)(C)C 2296290773 HLJQUYQEHODPBW-JQVVWYNYSA-N 435.406 4.862 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)ccc3C2=O)c1 2296866138 YMFMIBLQCPOZPG-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2305404295 VBADMTRYSMUWOE-BKUGKHNKSA-N 428.573 4.601 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2-c2ccco2)c1OCc1cccc(Cl)c1 2321912035 RZWQKDPNEKICFU-UHFFFAOYSA-N 440.912 4.950 30 10 IJEE CCCOc1c(C=Nn2c(S)nnc2COc2ccc(CCC)cc2)cccc1OC 2322156512 ZZPXZWCWJALHCY-UHFFFAOYSA-N 440.569 4.778 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCCO)cc1 2322611773 MJNQGQWLQBICDW-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)ccc3C2=O)c(OC)c1OC 2323157645 CTZUMZWIFWASFG-UHFFFAOYSA-N 448.427 4.540 30 10 IJEE C[C@H](NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 2323200226 AXLOHDBOEXPMJY-SFHVURJKSA-N 429.472 4.568 30 10 IJEE Cc1cc(OC(=O)CCc2cccs2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2323983475 KZCXXFKTKYTVLW-UHFFFAOYSA-N 434.469 4.940 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2ccc(OCC(C)C)cc2)c1 2326752304 AEXVNPLLDQMGGF-UHFFFAOYSA-N 438.553 4.582 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc(C(=O)OCC)o2)cc1Cl 2326834855 RJNXAJVSMNJVRA-UHFFFAOYSA-N 448.932 4.665 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327566012 GSLRUMFMJHPIIH-UHFFFAOYSA-N 429.889 4.579 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)=Cc1ccccc1Cl 2330100051 YPPUIYQYPISTHL-HSZRJFAPSA-N 440.946 4.811 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OC 2330730220 VUHXOHCKBHAJQH-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1 2330990229 ZXIAENAAZKQFGI-IBGZPJMESA-N 428.945 4.966 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccs2)c1 2331169285 ZUCHKPXSLMHGJD-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1c[nH]c2ccccc12 2331637050 RUWXEWOGBKRHQP-UHFFFAOYSA-N 446.580 4.942 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)C=Cc1ccccc1Cl 2332148218 LQQRMWWHDTUXKV-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE C[C@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339594666 XUVAYWMKFMWHRU-KAZAESRKSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2342474213 ZOVKRRJCNPYSLA-GOSISDBHSA-N 444.381 4.661 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CN(Cc3ccccc3)C3(CCCC3)C2)n1 2362153527 MCSSJVXQJSVBKW-HSZRJFAPSA-N 447.432 4.688 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)CC1 2362557362 JQCJJZGZNCELAD-BPXKWBHBSA-N 435.406 4.862 30 10 IJEE C=CCN(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 2457511 BAVGMLWYBKGSNC-HSZRJFAPSA-N 437.496 4.506 30 10 IJEE O=C(/C=C/c1ccccc1Cl)c1cc(Br)cc(Br)c(=O)c1O 8397912 WEZVEUQSHLLHQL-AATRIKPKSA-N 444.506 4.827 30 10 IJEE C/C(=N\Nc1nc(SCc2nnc(C(F)(F)F)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 20837457 SNQOCENMHHZVQS-NUGSKGIGSA-N 441.483 4.503 30 10 IJEE COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)c1 33321108 IFPHRLBMSAHOFG-MWTRTKDXSA-N 432.476 4.664 30 10 IJEE COc1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)cc(OC)c1OC 33734888 YUKTZYSHVSDROM-RGVLZGJSSA-N 432.428 4.548 30 10 IJEE Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1cccc(C#N)c1 36167222 OFFYOAPXWXRXIN-DEOSSOPVSA-N 445.569 4.517 30 10 IJEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1nc[nH]c(=O)c1[N+](=O)[O-] 40587504 OXYTXPHYLKZHGJ-AWEZNQCLSA-N 430.251 4.692 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(OC)cc4)cc(C)c3C2=O)cc1 41358210 JUBKDWLGOAJQEJ-QRVIBDJDSA-N 430.456 4.777 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(O)cc2)cc1 169965303 FBQHFSOIORZZAV-JOCHJYFZSA-N 439.471 4.614 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1 169983675 YLVWHASHRRUSRL-IBGZPJMESA-N 427.428 4.818 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccco3)nc2c1 170098470 HMGXKUNPXSPMJW-NRFANRHFSA-N 439.427 4.993 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)c1 170177875 XLRKVKIDGOUZBC-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)c1 170185650 JKDSJVAFGPAMJM-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccnc2)cc1C 170187195 CREIWTOHBIJPSH-XMMPIXPASA-N 440.499 4.806 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC)c1 170217206 VWEJLSLHCNCELX-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1 170251391 IGZMCMIHNDCORN-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccco1 170288872 ZJWZTZVCPDUMEJ-FQEVSTJZSA-N 439.851 4.739 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OCC)c2)cc1 170359767 PFBGSNFRDLQIOH-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)cc(C)c2)c1 170407904 PIPMLPFPUOPVFE-JOCHJYFZSA-N 431.444 4.605 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 170422829 MXBCBQAIWPFZMB-IBGZPJMESA-N 440.286 4.562 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)c2cccc(I)c2)C1 382008499 SXQFVHHOCRPQGR-GDBMZVCRSA-N 426.298 4.545 30 10 IJEE CC1(C)OB(c2ccc(Cl)cc2NC(=O)c2csc(Br)c2)OC1(C)C 405007977 TWUUQCOYSCSDPS-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ncc(-c2cccc(F)c2)o1 476565285 CMNDRYYKTBSSHE-UHFFFAOYSA-N 427.549 4.579 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(Cl)c1 501319647 HWKSBWNHWSLVJG-KRWDZBQOSA-N 448.914 4.599 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 508486819 DDIFXWJHDUFJMR-HXUWFJFHSA-N 437.613 4.715 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](c2ccsc2)C1 508728366 ACXZIGNOYUEOOT-UTKZUKDTSA-N 440.569 4.642 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OCC2CCCC2)CC1 508992543 AKIKSOKRIVATRJ-UHFFFAOYSA-N 432.515 4.908 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N(CCC)Cc1nnc(-c2ccccc2Cl)o1 517059458 SFVRSEAYRCPFBJ-UHFFFAOYSA-N 449.946 4.570 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)cc2)c1OC 526490299 LLHDQXKEPCXWCM-HSZRJFAPSA-N 426.472 4.941 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])s2)cc1 526604750 PHGRBEUYGALKGR-FQEVSTJZSA-N 433.445 4.594 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526802823 NYRYIZKCSXDXCQ-CFRMEGHHSA-N 428.533 4.950 30 10 IJEE COc1cc(Br)cc(/C=N\n2cnnc2SCc2ccc(C)cc2C)c1O 526810808 NIXDJVPBVMEVAQ-AFPJDJCSSA-N 447.358 4.546 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 549285171 HMKLGSZDWGOKQZ-SFHVURJKSA-N 438.551 4.734 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 558943676 DCAYFOFYHRAWFL-UHFFFAOYSA-N 445.567 4.629 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1 586137203 DNKCKPFPDINHKI-UHFFFAOYSA-N 440.952 4.920 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)Cc1ccccc1F 586161127 LGTASOINFFONBH-UHFFFAOYSA-N 438.524 4.714 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586255210 YSLROWHTVZFEQS-UHFFFAOYSA-N 436.533 4.750 30 10 IJEE O=C(Nc1ccc(Cl)cc1)NC1CCC(OS(=O)(=O)c2cccc(Cl)c2)CC1 586505967 KLZIGACINFEABR-UHFFFAOYSA-N 443.352 4.832 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H]1CCCN(C)[C@@H]1c1cccs1 742373195 HKWWFEYMZLAZOR-KKSFZXQISA-N 433.415 4.695 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 752375593 DAVDFPWMFOHUIQ-IAGOWNOFSA-N 426.542 4.704 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)NCCc2cccs2)[n+]2ccc3c(c2)CCCC3)cc1 762437760 CITWEYFQGCDODJ-UHFFFAOYSA-O 446.621 4.830 30 10 IJEE N#Cc1ccnc(NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)c1 766958653 YKYUGZWKKWHSGG-UHFFFAOYSA-N 430.265 4.578 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2nc(C(C)(C)C)cs2)nnc1-c1ccco1 767494123 ROEJQWBQMLCAPT-UHFFFAOYSA-N 432.571 4.704 30 10 IJEE C#C[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 774271844 KDWVWZKGMNAKAC-BFUOFWGJSA-N 443.931 4.770 30 10 IJEE C#C[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 774271862 KDWVWZKGMNAKAC-ORAYPTAESA-N 443.931 4.770 30 10 IJEE C/C(=C/C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F 778113001 JTHIIAGVLKDUQI-SDXDJHTJSA-N 427.470 4.783 30 10 IJEE C[C@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)c1cccc(Cl)c1F 782098747 POXGXCSYZFUELG-QMMMGPOBSA-N 434.798 4.867 30 10 IJEE CC(=NNc1ccc(C(=O)O)cn1)c1sc(-c2ccccc2Br)nc1C 814889911 DCLMSHOPPJVJSD-UHFFFAOYSA-N 431.315 4.810 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(F)cc1 916209853 SLCCDWLLHHUYQE-SFHVURJKSA-N 447.919 4.634 30 10 IJEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=Cc3ccc(Cl)cc3Cl)cc2)n1 1084314086 GKQQBYDUPHJJPO-UHFFFAOYSA-N 435.336 4.952 30 10 IJEE COC(=O)C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(C(C)(C)C)cc1 1126410014 BWAIFOYYWAOGKD-FQEVSTJZSA-N 431.492 4.545 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(F)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1126612598 NGHSNCDALHODQM-IBGZPJMESA-N 427.314 4.873 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1127328122 FJTBXGXAZYQYRZ-TZIWHRDSSA-N 430.470 4.878 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)c1ccc(F)c(F)c1 1128248876 JPJKFEHFHIJNQC-JOCHJYFZSA-N 440.494 4.942 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)cc1 1128863703 NXMRVDZDGAKEQD-UHFFFAOYSA-N 430.220 4.843 30 10 IJEE C#CC[C@]1(C(=O)N(C)c2ccc(-c3nccs3)cc2)CCCN1C(=O)OC(C)(C)C 1129683566 PMTBNRIATSNTFC-HSZRJFAPSA-N 425.554 4.566 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)c3sc4cccc(F)c4c3Cl)CC2)cc1 1135836211 GYZSKFGHEWXIRY-UHFFFAOYSA-N 427.932 4.914 30 10 IJEE C=CC[C@H](C(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1)c1ccccc1 1141566853 XKJQXSPLFRFNBJ-SDHOMARFSA-N 432.564 4.900 30 10 IJEE CC[C@H](CC1CCCC1)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1144758551 HCNMMDRQHMAOME-WIYYLYMNSA-N 432.406 4.764 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3C(=O)N(CCC)C(C)C)n[nH]2)c1C 1151430999 RDFOBEVRCWZYGW-UHFFFAOYSA-N 448.571 4.589 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccncc1)Cc1cccs1 1159257616 PHDRTYGWIXRNPT-FQEVSTJZSA-N 429.586 4.922 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(C#N)C1 1167597398 HSZTXJZROAAXMP-RTFHYFGRSA-N 445.563 4.702 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2ccnc3ccccc23)CC1 1170423291 BWTQVJDSCTUNES-IBGZPJMESA-N 430.527 4.889 30 10 IJEE C=CCNC(=O)c1ccc(NCc2ccccc2OCc2ccc(C(=O)OC)cc2)cc1 1182643596 CWIVEFHVBXJWAB-UHFFFAOYSA-N 430.504 4.580 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)cc1 1198692252 ZQNMXYZQOBBNIJ-KRWDZBQOSA-N 431.458 4.820 30 10 IJEE C[C@@H](CCNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)N(C)Cc1ccccc1 1214965189 HPSOUSBHSXZAPQ-IBGZPJMESA-N 429.524 4.778 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 1216890780 FUTSTJBYVWGYPX-UHFFFAOYSA-N 433.911 4.858 30 10 IJEE CO[C@@H]1CC[C@@H](N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)C1 1255601356 IOCBZOXELCLRQO-NJDAHSKKSA-N 437.565 4.523 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1265993995 GCVYJTOXQNKSBN-SSOJOUAXSA-N 444.547 4.585 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1cccs1 1286437233 CTNDMGQPRVBJHH-MWTRTKDXSA-N 440.638 4.560 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)C1CCCC1 1286549560 ALLZVKKMWNWUBH-FDDCHVKYSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCCCCC1 1286551167 GPUDWAZSROXEBM-WMZHIEFXSA-N 440.588 4.714 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1286610910 DBLBQYOVHWSKPT-HXUWFJFHSA-N 445.007 4.915 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(F)CCC2)CC1 1286647047 ZCIPHBBRISSXAO-LJQANCHMSA-N 447.599 4.831 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(CCOCC)CCC2)CC1 1286655514 NHWPCSKLZMOHJC-UHFFFAOYSA-N 429.996 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCCCCC2)C1 1286676439 ZMMOUAQXMOMBAH-UHFFFAOYSA-N 440.636 4.672 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286712059 RRIOREWFPNZJPK-UHFFFAOYSA-N 431.528 4.571 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@](C)(O)CCC 1286718809 SUUAXSBGKTWSKR-SFHVURJKSA-N 427.774 4.534 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CSCCS1 1286739371 ZRSFEJBWLIABHY-IBGZPJMESA-N 432.659 4.625 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCCOC(F)(F)F 1286741276 FOYIZAXRLXZNGG-LJQANCHMSA-N 449.477 4.510 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1Cc1ccsc1Br 1286764074 DXIVEUYBHNETFP-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC(C)=C(Br)C1 1286772560 HXWQNMGCJJVDIO-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 1294976641 LMBYZWCYOMAYRA-DHIUTWEWSA-N 436.552 4.598 30 10 IJEE CN(Cc1ccc(Br)o1)c1nnc(-c2ccc(C#N)cc2)n1CCC1CC1 1298274576 HINYGOYKOYHXMK-UHFFFAOYSA-N 426.318 4.609 30 10 IJEE CCCCC1CCC(c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n[nH]2)CC1 1300109773 FAXLUOSIACTWKL-LYBXBRPPSA-N 433.556 4.737 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1csc(C)n1 1300284178 QGAKDQJJNWBYAE-CABCVRRESA-N 425.627 4.597 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC1CCN(CCC(C)C)CC1 1300516360 LVPVCHQRPYTNMV-UHFFFAOYSA-N 443.595 4.522 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC1CCC(C(F)(F)F)CC1 1300545932 ZRNFPOKPMRVPNW-UHFFFAOYSA-N 444.501 4.607 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCSC2(CCCCC2)C1 1300751135 GQTZJNZNXQKWBL-UHFFFAOYSA-N 426.655 4.876 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 1300895691 UOEFOUFTZJTYNF-LJUYRKFLSA-N 430.637 4.660 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(c3ncc(C)s3)CC2)nnc1C(C)(C)C 1300897357 PYECHFMTDKQRGD-RTBURBONSA-N 429.634 4.706 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1300938655 AVDBPTJEHLFUDU-ZIAGYGMSSA-N 437.407 4.623 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1300956334 ZUJACHLNNSLTHZ-HXUWFJFHSA-N 428.483 4.804 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccco2)C1 1300973457 XMKSWBVLFUCTBW-OALUTQOASA-N 440.519 4.737 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301207679 DIYLCNDFOYSSOG-CYBMUJFWSA-N 425.396 4.739 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301238681 CFVVINATIUHKRE-FGZHOGPDSA-N 426.605 4.664 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1CCC(OC)CC1 1301334282 GMAIGWDCOJJBDE-UHFFFAOYSA-N 426.605 4.982 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CC1(N(C)C)CCCCC1 1301402320 FLJKVIQEMZIWQX-UHFFFAOYSA-N 429.559 4.590 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1C(C)(C)C 1301620314 DWSQKQPWSZXIJZ-SFHVURJKSA-N 428.602 4.608 30 10 IJEE CC(=O)N(c1nc(Cn2cc(C#N)c3ccccc3c2=O)cs1)c1ccc(C)cc1C 1307373417 HYRQHHZIDFBUQQ-UHFFFAOYSA-N 428.517 4.679 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2CCc3ccccc32)cc1OCC 1308234150 OGEANVQWXYMIAR-UHFFFAOYSA-N 431.374 4.565 30 10 IJEE COc1cc(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(F)cc1C#N 1311032828 AKWBAWZIBCCYKX-JTQLQIEISA-N 428.411 4.593 30 10 IJEE C=CCCSCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1312978341 XBVOOTAKUUMKTH-RTBURBONSA-N 425.639 4.507 30 10 IJEE C=CCC[C@H](C(=O)NCCC(=O)Nc1ccc(Br)cc1C)c1ccccc1 1352086507 UAGLAZXGYNLZLW-IBGZPJMESA-N 429.358 4.952 30 10 IJEE CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H](C)c1ccccc1OC 1353022206 HMWKXYRMRCTZLY-AEFFLSMTSA-N 439.943 4.573 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 1357310751 XTAVKBKZTQPDGN-ZDUSSCGKSA-N 427.353 4.542 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1358915311 ZFUDNYGHTZFBBM-UHFFFAOYSA-N 432.593 4.833 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCCS1 1358988023 ZPMNKXBVFHDVMY-UYAOXDASSA-N 438.666 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1ccnc(SC)c1 1359072809 RCKZPJMYDYCHTH-RUZDIDTESA-N 431.609 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1359094282 ZABIUZXBMGCOOQ-HBMCJLEFSA-N 430.543 4.970 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1c(F)cccc1F)C1CC1 1359098957 ICEKRQYKTCHTIF-SBUREZEXSA-N 430.543 4.905 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(OCCC)c(OC)c1 1359125779 SFGBCSFMPMNYIP-LJQANCHMSA-N 444.486 4.839 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCC[C@H](C)C2)CC1 1359180764 RJLVCBSVYGAEEG-IBGZPJMESA-N 442.677 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359191430 YXYKTICXZQCLLB-QFIPXVFZSA-N 448.615 4.816 30 10 IJEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCCc2sccc2C1 1359227930 PTKGOLKLUWQZPB-UHFFFAOYSA-N 426.561 4.615 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1359248421 NEYMYOHGPGRRGW-UHFFFAOYSA-N 425.577 4.529 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1359262760 CZRYKTOSJWBIHX-SFHVURJKSA-N 443.617 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@]1(C)CCCO1 1359263752 KPPCBMHPWROWIZ-DEOSSOPVSA-N 438.597 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC12CCOCC2 1359267514 IZBUKAFJAGLAEL-GOSISDBHSA-N 443.389 4.703 30 10 IJEE COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1437143038 GMYGADFKBWTVNR-SFHVURJKSA-N 428.488 4.741 30 10 IJEE C=CCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1C 1458863991 XKSNGINUKLTMOM-UHFFFAOYSA-N 440.956 4.605 30 10 IJEE COc1ccc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1Br 1459256825 FWKOYWDHACHBFJ-AWEZNQCLSA-N 449.370 4.894 30 10 IJEE C=CCC[C@@H](C(=O)Nc1cc(N2CCOCC2)ccc1Br)c1ccccc1 1460106964 VGODFKGJJDQTEO-LJQANCHMSA-N 429.358 4.974 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2C[C@@]3(C)CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c1 1465535476 KYSZKNZFUJVXIO-PSWAGMNNSA-N 429.561 4.752 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)c1 1471189875 RWRRJOUTUCUABC-QHCPKHFHSA-N 447.959 4.514 30 10 IJEE C=CC[C@@H]1N(C(=O)CCn2c(S)nnc2-c2ccc(OCC)cc2)CCCC1(C)C 1472554479 NCUWKCRMYDFPJV-IBGZPJMESA-N 428.602 4.616 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](OC(C)C)c1ccccc1OC 1474119774 OOBOEUZAZUDISU-JOCHJYFZSA-N 432.358 4.726 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1475841537 PHPSSEFZTRTSLO-OZIGNCPNSA-N 447.645 4.904 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H](C3CCOCC3)C2)cc1 1476041892 RNHPGOBSJKLSRG-QFIPXVFZSA-N 425.573 4.561 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC1(Cc2ccc(Br)cc2)CC1 1476224737 OHIMURLFHVMVTB-UHFFFAOYSA-N 431.305 4.745 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)OC)s1 1476916598 RWLOTRCLYGUHAH-UHFFFAOYSA-N 427.295 4.656 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(F)ccc2c1OCO2 1477010565 NFQLMSDQQORFJF-UHFFFAOYSA-N 425.229 4.676 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)CC2)cc1 1477824690 BGIVVNCRUZJYSU-XMMPIXPASA-N 436.987 4.970 30 10 IJEE C#CC[C@H](NC(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1)c1ccccc1 1478246760 XBLJOXHFJJHQFE-QHCPKHFHSA-N 435.568 4.530 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](Cc1ccccc1)c1ccccn1 1479594054 CLPWBOBKTKMAHG-XMMPIXPASA-N 431.584 4.973 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CC(C)(C)C1 1494252272 HGMJESQOGMLBHX-WIYYLYMNSA-N 432.572 4.585 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1502581724 ICFLVMURYDMICB-QFIPXVFZSA-N 425.577 4.535 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1CCSC(F)(F)F 1504442066 FLGUKRAEQYDGQJ-ZDUSSCGKSA-N 445.536 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)c(OC)c1 1507522074 TVIATOLYFUYXJQ-WMZOPIPTSA-N 434.609 4.955 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507562809 NXTWFWINGZTMOC-SJLPKXTDSA-N 427.474 4.931 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(F)(F)CC1 1507577964 VCDFCYGAQLDXGI-UHFFFAOYSA-N 426.467 4.766 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C)CC1 1507849410 YDJZEOCINXSYCQ-LJQANCHMSA-N 430.618 4.798 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCOCC2)C1 1507920326 WEZXUKOLHHKQDC-UHFFFAOYSA-N 449.599 4.728 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)C(C)(C)C1)c1ccccc1 1507920947 PDZNGRHNMARIAX-RBBKRZOGSA-N 435.616 4.746 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCCC2)C1 1507939957 USLIFOWOLCDHBY-UHFFFAOYSA-N 434.382 4.541 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCCCC1 1507985809 NYJMVGSBDASLAJ-UHFFFAOYSA-N 425.621 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1Cc1nccc(C(F)F)n1 1508005216 OOVHMXLCIHBZOQ-OAHLLOKOSA-N 430.478 4.899 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CCCN1C(=O)OC(C)(C)C 1518784427 MLAXZSJGGXEMRI-GBXCKJPGSA-N 430.545 4.529 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCCCC2)CC1 1521143071 DCYDIZBWRDVSIQ-UHFFFAOYSA-N 447.414 4.868 30 10 IJEE CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cc(F)c(C(F)(F)F)c(F)c1 1523048935 FBWBVRITVGEFQN-UHFFFAOYSA-N 439.283 4.586 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1526452318 KJOQPZNMIHAOIK-LJQANCHMSA-N 434.989 4.854 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1526843800 SXAZLWNJLJKKKL-XLIONFOSSA-N 434.305 4.512 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F 1528839202 HQULXPSOENFWGQ-STQMWFEESA-N 446.363 4.678 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc(Cl)c1Cl 1530295036 HNAKCMOKROLHMM-DGCLKSJQSA-N 436.726 4.749 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1532008869 MNMNJMCOUPQVMY-HSZRJFAPSA-N 428.508 4.604 30 10 IJEE N#Cc1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1Br 1532296719 AMXYVFQMBWSCCC-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2cscc2Br)CCCN1C(=O)OC(C)(C)C 1537164036 DAUVDDNRUIZVCE-LJQANCHMSA-N 443.407 4.815 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1537491466 GJEBUDOWAJDQDG-OAHLLOKOSA-N 441.231 4.786 30 10 IJEE C#CCOc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 1537897399 QXTLRDFIAQFKSZ-QGZVFWFLSA-N 426.232 4.885 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCOC1CCCCCC1 1539158722 JEQDAZPLNGZMSO-UHFFFAOYSA-N 445.405 4.825 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@@H](C)C1 1539304626 CVBWXZWGPHGVEI-QZTJIDSGSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nc(C)c(C)s1 1539382430 IMUNNPMNMGVNNX-UHFFFAOYSA-N 432.018 4.805 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1539497407 LUUFSCXYNDOVIJ-PKTZIBPZSA-N 438.641 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1539632918 VTIFHCBFBCDOBA-FPOVZHCZSA-N 443.661 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1C(F)(F)F 1539647704 XWRIAMPXPSKMKG-NQIIRXRSSA-N 434.506 4.867 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1539743738 QECCCJROFUUBOB-PMACEKPBSA-N 445.007 4.834 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1539819985 AXUOUPQWNDSKGI-IBGZPJMESA-N 437.371 4.658 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1539859066 IUFILMCIXBWOHE-RTBURBONSA-N 442.629 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1539918237 KNMNGSAUULTSTP-HXUWFJFHSA-N 443.661 4.719 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1540014824 XACLHIBNJUYGLO-IEBWSBKVSA-N 438.494 4.596 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CN2CCCCC2)C1 1540027515 ZHSILKYOVXJJKP-HXUWFJFHSA-N 444.023 4.503 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCc1c(C)noc1C 1540137103 PNOGXMVDUJEXFJ-UHFFFAOYSA-N 446.530 4.828 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1540153766 KRYJXWYBXKFBGI-DVECYGJZSA-N 438.576 4.542 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)CCS1 1546114807 HDIHTUCQOMFUOM-UHFFFAOYSA-N 441.645 4.991 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1547304982 DABMTUHAQZFFPW-ZHHKINOHSA-N 437.588 4.730 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1CC(C)(C)N1CCCCC1 1554150101 HLKXQQSZMCCFOM-UHFFFAOYSA-N 434.632 4.783 30 10 IJEE COCCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)CC1 1555433173 BNLPUJBKZPWSLT-HXUWFJFHSA-N 437.588 4.592 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 1556907581 VBWGFVMOXYDQHD-XZOQPEGZSA-N 443.632 4.655 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(-c2ccc(Br)s2)s1)C(=O)OC 1558383807 PLHMXNCDWRQHNC-LLVKDONJSA-N 428.373 4.867 30 10 IJEE CCOc1cccc([C@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c1 1559692331 FJGJXIADXHHGBK-SFHVURJKSA-N 448.542 4.852 30 10 IJEE N#Cc1ccc(CN2CCC(NCC(F)(F)c3ccc(Br)cc3)CC2)cc1 1560540080 CKOONZLDNYPZAG-UHFFFAOYSA-N 434.328 4.667 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cnc(Cl)c(Br)c1 1561066364 UQEFCJIWLUDTGI-UHFFFAOYSA-N 442.187 4.589 30 10 IJEE O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1561427484 DSTFCQMOWXDGFJ-GWCFXTLKSA-N 437.377 4.636 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 1562441015 VEXRFHTYQHHOHK-UHFFFAOYSA-N 435.278 4.696 30 10 IJEE C=C(C)[C@H](NC(=O)N(C[C@H](O)COc1cccc(C)c1)C(C)C)c1ccc(F)c(F)c1 1564596238 ATCRFQJKARBXKZ-CVDCTZTESA-N 432.511 4.750 30 10 IJEE C#C[C@H](NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)c1ccc(F)cc1 1564995629 CYGGQZKJKUIKFH-VWLOTQADSA-N 428.507 4.860 30 10 IJEE C=C[C@](C)(O)CC(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1586115515 QNCHGDRQWHVSIA-KNQAVFIVSA-N 432.358 4.923 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1noc2c1CCCC2 1587593823 NQHBLSAQIBMHQO-CYBMUJFWSA-N 430.339 4.625 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1C1CC1 1588288780 LCFOODNDGNWLGY-GOSISDBHSA-N 432.399 4.728 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCSC1 1589171354 BXHFIKKZSAQUGH-JLTOFOAXSA-N 449.393 4.592 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1cc(Br)cs1 1589528865 IUZXPPBQXQTNEX-WMLDXEAASA-N 437.407 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1oc2ccccc2c1OC 1589676556 ZZZAKFZPCDIAAT-UHFFFAOYSA-N 437.569 4.839 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(C(C)C)C1 1595076284 ZOCLINFFVGFSHS-JOCHJYFZSA-N 448.615 4.595 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1 1595133978 QBRGQRNNVIERGN-NRFANRHFSA-N 437.588 4.881 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(CCOC)CCCC2)C1 1595680311 IOSUBHQZFCXCBH-OAQYLSRUSA-N 445.007 4.977 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1595877961 DUNOGXZTVLHVIP-UHFFFAOYSA-N 428.602 4.521 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 1596169816 PRDVGBAGULGPJJ-CABCVRRESA-N 438.849 4.971 30 10 IJEE CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CC1=O 1597759850 CNCDLXLZTQEVSB-HNNXBMFYSA-N 427.957 4.948 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CC(F)(F)C2)c1C 1611824656 DMBPLMIOYGMAFC-HRAATJIYSA-N 433.478 4.522 30 10 IJEE CCCc1nc(C)c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)o1 1614430058 CXSZMPDFFLFEED-RDJZCZTQSA-N 440.523 4.593 30 10 IJEE C=C[C@@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1618253500 OJFAWQVSSMNZAM-WMZHIEFXSA-N 437.584 4.795 30 10 IJEE CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)c(C#N)c3)ccc2C)cc1 1618705363 CILIABZYYJENGS-UHFFFAOYSA-N 449.532 4.627 30 10 IJEE C#C[C@H](NC(=O)Nc1ccnc(OCc2ccccc2)c1)c1ccc(Br)cc1 1624195057 GLPIPJGQWUPUEM-FQEVSTJZSA-N 436.309 4.919 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(C)C 1628517005 HMPQJEOIDBSGER-HZMVEIRTSA-N 443.476 4.894 30 10 IJEE C=CC1(CC(=O)NC(Cc2ccccc2)Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 1631301497 CCYKWPJDPQAXTH-UHFFFAOYSA-N 434.580 4.770 30 10 IJEE C=CCCCCCCCCNC(=O)c1cccn2c(I)cnc12 1637053048 NADLLXKEOVOYDV-UHFFFAOYSA-N 425.314 4.585 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)/C=C\c1cc(Br)c(O)c(OC)c1 1638664141 CNNNZHMZSYXWLQ-KHPPLWFESA-N 432.314 4.713 30 10 IJEE Cc1nc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2c(-c3ccccc3)csc2n1 1642547276 AQLNAYZVZSGQML-WMZOPIPTSA-N 435.553 4.838 30 10 IJEE C=CCn1c(SCC(=O)CCCc2ccccc2)nnc1[C@H]1COc2ccccc2O1 1643490624 DGCVQPHNNMKSPU-JOCHJYFZSA-N 435.549 4.661 30 10 IJEE C=C[C@@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1CCCC)C(=O)OC 1652373750 JWRTUPAPEOXLIN-MRXNPFEDSA-N 432.542 4.884 30 10 IJEE N#CCSc1cccc(C(=O)Nc2cc(O)c(Br)cc2Br)c1 1654539268 FBPGYRRFMXUIBG-UHFFFAOYSA-N 442.132 4.785 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCCOc1cc(Cl)cc(Cl)c1 1656154722 UOLHQSKLFREQEB-UHFFFAOYSA-N 441.428 4.970 30 10 IJEE C#Cc1cccc(N(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)Cc2cccs2)c1 1657706816 KLTKMOJSKNWYCN-UHFFFAOYSA-N 433.489 4.642 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 1658625900 IBCATAMDDSTOMK-OAQYLSRUSA-N 446.894 4.931 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 1661738301 MGBZFMLCHPZLIX-UHFFFAOYSA-N 447.507 4.619 30 10 IJEE C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1ccc(Br)c(C#N)n1 1673983397 CLIDCSGOSSMWQL-JTQLQIEISA-N 427.224 4.959 30 10 IJEE COc1cc2c(cc1O)CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)C2 1674171475 GHONQKZNEVJMJB-UHFFFAOYSA-N 447.466 4.581 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCC3CCN(Cc4ccccc4Cl)CC3)cc2n1 1675012642 AYBNYBOIFFAITQ-UHFFFAOYSA-N 437.975 4.909 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 1682742301 FOFQSOSYPMWHBV-FQEVSTJZSA-N 431.305 4.647 30 10 IJEE C#CCN(C(=O)NCCSCCOc1cccc(Br)c1)C1CCCCC1 1684574033 GXOAWSHYCMQGHJ-UHFFFAOYSA-N 439.419 4.539 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 1684595261 COSVKVPAPWIFBQ-LBPRGKRZSA-N 437.327 4.804 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1nc(C)no1 1689832163 XQTNMIJQZZQPHO-ZDUSSCGKSA-N 440.960 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCNc1ncc(Cl)cc1Cl 1689840460 ZTDWTEIDDHURCO-OAHLLOKOSA-N 443.382 4.779 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H](OCC)C1CCCC1 1690198467 PAYOFWKOIQPFBW-HYBUGGRVSA-N 442.007 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690246911 XRFTUNHJVWWSLY-UIFIKXQLSA-N 448.970 4.930 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](C)c2ccccc2)CC1 1690396392 AOSORPXQTXKSCO-IBGZPJMESA-N 430.556 4.522 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCC=CO2)CC1 1690398706 FDJPTCLBAMGRIO-CVDCTZTESA-N 438.572 4.912 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2C[C@@H]2C)CC1 1690402926 VNYXHAWMFCBFJR-GOEBONIOSA-N 431.378 4.775 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2ccnc(OC(F)F)c2)CC1 1690414857 NRCOXNPMMASJGE-UHFFFAOYSA-N 439.510 4.510 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc2nsnc2c1 1690449439 GUXIMBHJDDNKTG-FQEVSTJZSA-N 426.590 4.755 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1CC1=CCCCC1 1690555921 HQZSDWWUODMDGK-UHFFFAOYSA-N 429.568 4.966 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@@H](O)C1 1690575877 FAUKJOUJFSKRFW-QZTJIDSGSA-N 426.561 4.889 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)C 1690613474 IPKDLPFECUIGAI-UHFFFAOYSA-N 427.774 4.656 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)CC1 1690744251 KZRHNAJSVWTXNZ-UHFFFAOYSA-N 449.665 4.548 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1705479830 MIZAPOLCCATCMN-IAGOWNOFSA-N 445.995 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCSC(F)(F)F 1705482724 FWGCSRZWJYIACB-ZDUSSCGKSA-N 428.549 4.986 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1sc(C)nc1C 1705677455 PDKIPCZRGXHLSJ-XMMPIXPASA-N 435.597 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OCC(F)(F)F 1705717111 CMOJWGJZOXMGGC-SFHVURJKSA-N 438.494 4.564 30 10 IJEE C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)CC1 1705779292 CZMPNVLDNKLFHH-HXUWFJFHSA-N 447.505 4.807 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705786944 BMCTZRHAKYTBIK-JAXLGGSGSA-N 441.668 4.647 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(F)cc1 1705806721 KSEALBMGUIGWCT-UHFFFAOYSA-N 449.578 4.584 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1705856209 KMOZIHAHCCLOCP-ROUUACIJSA-N 428.602 4.549 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C1CC1 1705878654 WGGMVHKYEZGFER-NRFANRHFSA-N 437.588 4.920 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1705887876 NEFNSJBZEUPZCN-QFBILLFUSA-N 445.995 4.914 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2cccc(COC(C)(C)C)c2)C1 1705924361 VHZJHAVNBYSHDV-JOCHJYFZSA-N 426.605 4.621 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@H](C)C1 1722421859 OSFMELWITBFGBV-VIZSFHNOSA-N 440.563 4.504 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC1(SC)CCC1 1722422001 PQZNONWTJHGUNY-UHFFFAOYSA-N 435.572 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1722502408 IPECXPSWAWXWON-REHUZNOOSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[S@@](=O)CC 1722506486 SGWSSZWXRGCOLO-PMERELPUSA-N 443.642 4.548 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCCC(C)(C)C2)CC1 1722565327 YODVIQIPKWBHSX-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](C)[C@H]1C 1722585075 PZYYQNFIUBJUNK-ZIAGYGMSSA-N 438.439 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)CC1 1722586043 RDOYFTNIQHUMCL-UHFFFAOYSA-N 436.387 4.523 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722613444 XRRZSIHULCKFHW-HUUCEWRRSA-N 437.407 4.598 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722625740 WRQLILUOHKJMQI-OAQYLSRUSA-N 449.599 4.870 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(C)(C)C)C1CC1 1722644258 SZNPCGZTTHWUNA-UHFFFAOYSA-N 429.996 4.843 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCO[C@@H](C)C1 1722661836 BFXIACTYCMSQDR-WMZOPIPTSA-N 443.642 4.703 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H](C(C)C)N1CCCC1 1722666481 OVCQDDBIHQFTOB-HSZRJFAPSA-N 430.600 4.792 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccsc1)N(C)C 1723772882 BQKKIVBCBLMLJC-HNAYVOBHSA-N 428.993 4.701 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCc2ccccc2C(F)(F)F)C1 1724002679 HYTWBSIDHRKATR-JOCHJYFZSA-N 440.473 4.732 30 10 IJEE CCc1nc(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)cs1 1727455554 AVEQIHRDPUISAI-UHFFFAOYSA-N 441.004 4.990 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1nccs1 1740568852 SETXRCRMJCPBTL-UHFFFAOYSA-N 444.402 4.647 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](CN(C)CCC)C1 1740582848 RZQXEBJMOGGSHH-VQTJNVASSA-N 439.673 4.713 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)CC[C@H]1C 1740711998 ZJNRXAMZLWUZJD-HZPDHXFCSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1740767012 MBGDERRRMBIGNS-HTAPYJJXSA-N 446.979 4.802 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2Cl)CC1 1740786248 WKIGCUWNKKPTGT-WIYYLYMNSA-N 444.023 4.753 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C 1740796539 DMUFOAYDNDMZQF-ROUUACIJSA-N 448.658 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1740846174 PQMCHPYFEYCSTP-FQEVSTJZSA-N 440.979 4.512 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCc1csc(CC)n1 1740893951 CWDUXAHHWWIXKP-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1cccs1)N(C)C)C1CC1 1740913411 MJSOWCIFNQSENG-SVFBPWRDSA-N 443.661 4.716 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1741003022 VRLRLTSZLYTNFT-LJQANCHMSA-N 436.547 4.799 30 10 IJEE CCC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1)OC 1745261542 CITQMNMEPCSEOB-GHTZIAJQSA-N 446.393 4.653 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1ccco1)N(CC)CC 1748665830 VKBPAJNWHLCRQF-XMSQKQJNSA-N 430.556 4.560 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1C 1748702083 YWZMNVCHCABPJO-UHFFFAOYSA-N 426.362 4.784 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C(C)C)C1 1748757826 LWLRIBRKEKYMKX-QFIPXVFZSA-N 445.007 4.526 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1N(C)CCCC1(C)C 1748771070 HAAKRKNTRIJSOW-XMMPIXPASA-N 444.627 4.542 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1OCCC1(C)C 1748829064 SINHBDPJELHAJM-GOSISDBHSA-N 438.984 4.701 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1748939323 YOFFNAVYXOLMBV-QFIPXVFZSA-N 439.673 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC[C@@H]1CCCCO1 1749058477 JZESHSZRSSEGPJ-MGPUTAFESA-N 449.418 4.720 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC[C@H]1CCO[C@H](C)C1 1749544560 JOQOEULZESICOA-RTWAWAEBSA-N 449.574 4.801 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Cc1ccc(OC)cc1 1760125003 NIQGATWIRWIRLZ-TWRVUUBYSA-N 438.616 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)CN1CCCC1 1760291316 KFIAEYLDQRLNRZ-KDYSTLNUSA-N 433.644 4.967 30 10 IJEE C=C(Br)Cn1c(N2CCC(F)(F)CC2)nnc1C1(c2ccccc2)CCC1 1760314493 OGCSZTQAHPSNKI-UHFFFAOYSA-N 437.332 4.892 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760409857 KFIBWJTVHYZYDR-HOYKHHGWSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1760417206 YFVWQUHVUBPQEL-HXUWFJFHSA-N 445.007 4.873 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760422902 SQCDOZRLMHKRDA-RBUKOAKNSA-N 438.551 4.641 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1760560608 ZRNBDACAQBYIDD-XMMPIXPASA-N 432.597 4.851 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1761992120 DCADQFGUJXUTFQ-KBMIEXCESA-N 439.604 4.542 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1765143479 DTWZJELVCCQKAL-FQRUVTKNSA-N 434.632 4.954 30 10 IJEE COc1ccccc1[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1)OC(C)C 1770383689 HBKFPAZXYCGMGA-QHCPKHFHSA-N 448.571 4.578 30 10 IJEE COc1cc(C=C2CCC(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC 1857617781 JKCXONUCRFROOH-UHFFFAOYSA-N 440.492 4.568 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1C(=O)O 1857890242 NJCPFCAOHBXGKY-UHFFFAOYSA-N 428.529 4.541 30 10 IJEE CC[C@@H](C)OC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1858698282 MBGFIZSKPXVGHS-ZIAGYGMSSA-N 442.541 4.504 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Br 1862422857 OLJWTSWOEZHDAA-QGZVFWFLSA-N 436.252 4.716 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862555855 JPRWSGWHORYNDP-XMMPIXPASA-N 426.516 4.918 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862560046 CMWIPLQQMZHVSL-AECOYVPUSA-N 429.520 4.907 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)c1 1862605401 SLKOIBLMZAGQAQ-XMMPIXPASA-N 441.483 4.545 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)c1 1862612794 AOOUCXLHBJIZPF-QHCPKHFHSA-N 443.547 4.837 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(Cl)cccc1Cl 1862633769 PTCQNCCDYGLMRD-SFHVURJKSA-N 434.275 4.710 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C(C)C)c1 1862644480 MASOLTRABVRZJR-NRFANRHFSA-N 427.472 4.610 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2F)cc1 1862688742 ZRPXLOVNVJFMIZ-NRFANRHFSA-N 437.492 4.717 30 10 IJEE CCC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866775053 JUBZRZSEJUXIKM-GOTSBHOMSA-N 435.568 4.929 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c(=O)cc1CSCC 1870177145 ZAVFDLOSJSBVMO-UHFFFAOYSA-N 444.597 4.611 30 10 IJEE C#CCOc1cn(CCCCCCCC)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870560173 KJGBKOQSRFPBJV-UHFFFAOYSA-N 449.639 4.539 30 10 IJEE CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(Br)ccc1OC)C3=O 1871346522 KOBREENFJAZDQE-GRSHGNNSSA-N 444.325 4.944 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(CCc1nc3ccccc3[nH]1)CO2 1871355444 LLOVDJDNXUBMMX-MTJSOVHGSA-N 443.528 4.944 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C(=O)O)cc(C)c2C1=O 1871431402 RWGFOADHONVPSB-UUYOSTAYSA-N 443.455 4.635 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1871779048 DCFOUCHYFSQVJG-KRWDZBQOSA-N 447.409 4.895 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)CC 1871838730 RXOXSVBTALRPGU-JOCHJYFZSA-N 430.570 4.670 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCCCC)cc1)C(C)C)S(=O)(=O)CCC 1872160883 IBILUHLIKBGBIR-QFIPXVFZSA-N 438.634 4.837 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 1872206662 BDZIOLAQWZGQEK-FQEVSTJZSA-N 434.561 4.866 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCCC 1872288302 IQCGZRHRUNTIRL-HSZRJFAPSA-N 428.598 4.612 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1873792978 XHANSHSEEKPELN-BRJLIKDPSA-N 439.302 4.677 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(C(=O)O)cc1 1874197173 WFDBSWPWNJRNDD-PCLIKHOPSA-N 446.532 4.745 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cccc(Br)c1 1874292715 NCYXXORSSSZZNN-CIAFOILYSA-N 447.358 4.622 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccco2)o1 1874423362 IQNQSMMANIXYEY-RGVLZGJSSA-N 428.495 4.544 30 10 IJEE CCCSc1nnc(-c2ccccc2)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874429172 VEELREKKHBYQHU-CIAFOILYSA-N 447.358 4.806 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccc(Cl)c2)o1 1874466604 RNSIIPOWVXLHHE-SSDVNMTOSA-N 442.884 4.746 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(F)cc1 1874511437 YIQVLDSLJBUMJQ-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)cc1OC 1874578764 FVZIKHLHRAVYAJ-SOFGYWHQSA-N 433.298 4.522 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)CCCOc2ccc(OC)cc2)cc1 1874742170 CJWWKAAQWXGZRN-UHFFFAOYSA-N 437.536 4.707 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3OC)cc2)c1 1875101787 QQXIVTSVPINMQZ-NTEUORMPSA-N 432.472 4.757 30 10 IJEE Cc1cc(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)sc1Br 1879731493 AFONJMROUAMTSM-KPZWWZAWSA-N 426.185 4.517 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc4c(c3)[C@@H](C)CCN4C)ccc21 1890572126 YMEYWOGDJCHGJS-KRWDZBQOSA-N 433.552 4.820 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCC#N)C1 1900607449 NBRBULKVUJMUDB-BVZFJXPGSA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2012280578 WTLUSSAJSPDCJX-KUTOWUBSSA-N 434.541 4.654 30 10 IJEE C=CCN(CCC(=O)Nc1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 2060642150 RVFSKLLICGQGMB-UHFFFAOYSA-N 435.721 4.993 30 10 IJEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(=O)O)c1N 2079971720 LAFSRORKKZVNHE-LBPRGKRZSA-N 427.320 4.976 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 2106023876 MAFQBYNUVJGWKE-GXTWGEPZSA-N 426.330 4.955 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(Br)cc1OC 2165534386 YLXFRWWVKZIZMN-YADHBBJMSA-N 434.374 4.632 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3Nc1ccc(C#N)c(Br)c1F 2169552939 UNPZNLDEYMPDIW-HKAKVCCISA-N 436.325 4.516 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)cc(F)c1C#N 2174808874 SUHUIBADTZSLLB-QDMKHBRRSA-N 438.341 4.827 30 10 IJEE Cc1cc(Br)c(C(=O)Nc2ccc(C#N)nc2)cc1NC(=O)OC(C)(C)C 2181049380 WVUBDAQMECIDSH-UHFFFAOYSA-N 431.290 4.624 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1C#N)[C@H]1CC=CCC1 2196084884 HVYPSOFNESCWIO-GUYCJALGSA-N 434.334 4.509 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCC(=O)Nc2ccc(C#N)c(Br)c2)C1 2203260800 YSTRECMJLDPLKM-ZFWWWQNUSA-N 436.350 4.733 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC12CCC(CC1)N2C(=O)OC(C)(C)C 2235718255 CSYBBPWLHGHQPS-LYGNXSNRSA-N 433.390 4.711 30 10 IJEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(O)(C#Cc1ccccc1Br)C2 2235741152 SIFZEBBZKFBMEX-UHFFFAOYSA-N 434.374 4.779 30 10 IJEE N#CCCC1CCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243915565 IMGMEASPHBCHSO-UHFFFAOYSA-N 445.563 4.848 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2251935732 PICGQIUOQFPXTF-URXFXBBRSA-N 435.561 4.559 30 10 IJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2256738321 DRUPABOVMUCKFM-DNQXCXABSA-N 441.660 4.986 30 10 IJEE C=CCCC1([C@H](N)Cc2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266305829 QWAHTTOKSYYKJU-QGZVFWFLSA-N 427.358 4.661 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267273650 PQORSMZDPKLGFR-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE CC1(C)OB(c2ccnc(N[C@@H]3CN(Cc4ccccc4)C4(CCCCC4)C3)c2)OC1(C)C 2280758578 HJGIRXMTINNNOL-QHCPKHFHSA-N 447.432 4.770 30 10 IJEE C=CCC1(COc2ncc(Br)c(C)c2N)CCN(C(=O)OC(C)(C)C)CC1 2287841069 KFZRHQDGYGNZPI-UHFFFAOYSA-N 440.382 4.707 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2289741209 RFGKRDVXQAHXQQ-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(c3cc(Br)cc(F)c3C#N)[C@H]2C1 2290259141 NCNPVLAHXKMVNS-ACJLOTCBSA-N 438.341 4.686 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C1=O)cn2C 2293031534 NGWANGCPNJXOSG-MRXNPFEDSA-N 432.520 4.883 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2cccc(Br)c2)c2ccccc21 2296230217 RBPCUJIZRWESGK-AZUAARDMSA-N 428.326 4.700 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2296289300 QDGNCXAFLXDGLT-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C=CCCN1C(=O)OC(C)(C)C 2296295493 DPRLCZYORMHZNG-UXHICEINSA-N 433.390 4.734 30 10 IJEE Cn1cc(C=C2Oc3c(ccc4c3[C@@H](c3ccc(O)cc3)CC(=O)O4)C2=O)c2ccccc21 2297639855 MNPJCNFGQWGYDN-HXUWFJFHSA-N 437.451 4.941 30 10 IJEE C=CCc1cc(C=C2SC(=NC)N(C)C2=O)cc(OC)c1OCc1ccc(F)cc1 2313556851 MSADXHXEVWFZME-UHFFFAOYSA-N 426.513 4.674 30 10 IJEE COC(=O)c1ccc(C=C2SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc1 2314542149 HJZKWUCMVREGEO-UHFFFAOYSA-N 427.551 4.866 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(CCCN(C)C)CO2 2322335712 VICARJAIQAZOGS-UHFFFAOYSA-N 430.907 4.507 30 10 IJEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)C(=Cc1cccnc1)O2 2322930445 KUSYWIRLACGEIF-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324682764 OWTOBGWGPWZHPF-UHFFFAOYSA-N 447.443 4.986 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)s1 2324803756 WBAWAMVQSJVKTD-QGZVFWFLSA-N 449.532 4.821 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OCCN4CCCCC4)ccc3C1=O)cn2C 2325701464 SFSFUNWGZMWPEM-UHFFFAOYSA-N 432.520 4.668 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)c(OC)c3)c2)c1 2325707321 URYKHIAWYLMUMN-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1 2325707639 FDRKVCKRFDPBEY-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1Br 2326287438 MGTOIBSXURYPAK-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE FC1(F)C[C@@]1(CS)COCc1ccc(I)c(Br)c1 2326914095 MGIKEJKUUFXDHU-NSHDSACASA-N 449.098 4.526 30 10 IJEE COC(=O)c1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccccc2)o1 2330101939 LSOODDVSCVYCIF-KRWDZBQOSA-N 446.532 4.984 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1C 2330880272 IXHKHAZNBCEPAC-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)NCc2ccccc2)nnc1C1CCCC1 2331097171 HVCJXACZTLLGBJ-UHFFFAOYSA-N 433.581 4.535 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(F)c2)nnc1C(F)(F)F 2331123993 YZNOTSDJBQJIAW-UHFFFAOYSA-N 430.814 4.970 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2C2CCC2)cc1 2331545910 YYDMRHGLSLTPGX-UHFFFAOYSA-N 447.608 4.960 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2F)cc1OCC 2331577380 CRCPGLZIEUPMBB-UHFFFAOYSA-N 444.532 4.536 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)c(C)c1C 2331612543 MRFNEQCPOFWJSA-UHFFFAOYSA-N 438.398 4.693 30 10 IJEE CN(C[C@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1)C(=O)OC(C)(C)C 2339574444 IBBBCYCPUDFOCP-BDMQASLISA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339593546 HMFJOPLURKLUGE-RBUKOAKNSA-N 444.381 4.798 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2360193942 AXZDEVZYKYUYOY-YAJHFMINSA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(c3cc(Br)cc(F)c3C#N)C[C@H]21 2361341309 RGUPMSFCTHFJRZ-FZKQIMNGSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)C#Cc1cnn(C2CC2)c1 2366016665 GHEBZVNEYTWRKF-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CCc3ccc(Cl)cc3)nc12 12289395 RJCZLCMYVCTCCJ-UHFFFAOYSA-N 445.910 4.834 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1)c1ccc(C)cc1 59021234 NYLGXTCRKODCPA-MSXFZWOLSA-N 449.367 4.987 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 63390905 ZPMVHGCROOPXRO-UHFFFAOYSA-N 428.876 4.595 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2cccc(Cl)c2)nc1C 97392296 XMNPTMNXQLCWNB-UHFFFAOYSA-N 444.882 4.849 30 10 IJEE C=CCC[C@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 104983237 KXVWLNHJRHJJMQ-JTHBVZDNSA-N 428.960 4.671 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(O)cc2)c1 169962408 DAELXQILHVRLGF-HSZRJFAPSA-N 445.471 4.588 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)cc1 169996939 WXGQWWUIMZUIMS-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)cc1 170132578 DEYQCSIPIQWKSX-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccs1 170154402 VBRVSJZOZBCHKA-LJQANCHMSA-N 441.530 4.605 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccs2)cc1C(C)C 170164084 OEUKZAWZLWMMMJ-NRFANRHFSA-N 443.565 4.885 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccs1 170166157 VDVGMPIBROBYEY-NRFANRHFSA-N 443.565 4.929 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)cc1Cl 170194165 BQOUKLQATWCXDG-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)c(C)c1 170228110 VGPQTYNTLCZHNI-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccco1 170281516 ZCYBTRNBHIPLSZ-IBGZPJMESA-N 427.815 4.864 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(C)o1 170300989 XLXWDSFPKNMMFQ-OAQYLSRUSA-N 433.460 4.702 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 170428591 OTDPEQHZWKCGPW-SFHVURJKSA-N 440.496 4.959 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)OC(C)(C)C)c1 309958888 WBXJPCHNJCPIHJ-UHFFFAOYSA-N 434.342 4.680 30 10 IJEE COc1cccc([C@@H](NC(=O)NCC2CCC(C#N)CC2)c2cc(F)ccc2OC)c1 441010038 HITJNHAUWMIZTO-PVWAMWICSA-N 425.504 4.561 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Cn2cc(Br)cn2)on1 476152695 MCSMAMPBAXQUEC-UHFFFAOYSA-N 429.318 4.786 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(OC)c5)[C@H](C)C4)[C@H]3C[C@H]12 504197492 QJALQDMFCVLXKM-LXCYVYGISA-N 438.612 4.520 30 10 IJEE biogenic C=CCn1c(C2CC2)nnc1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 508833172 ODMNENUKHVCFLC-INIZCTEOSA-N 446.395 4.957 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)c(Br)c1O 526804330 OCWJPBSBRVJDKZ-FBHDLOMBSA-N 447.358 4.546 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1cccc(Br)c1 530563734 OYDBYTCNQDNBKZ-UHFFFAOYSA-N 436.371 4.713 30 10 IJEE C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NP(=O)(OCC)OCC)c1ccnc2ccccc12 575629755 JFCVDRVNJCMKJF-PTRHGPIFSA-N 429.501 4.943 30 10 IJEE C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccccc1Br 579418284 BCOIYPCJYDCHPE-AWEZNQCLSA-N 437.297 4.947 30 10 IJEE N#Cc1ccc(CN(c2cccc(Br)c2)S(=O)(=O)c2cccs2)cc1 586216806 GQHHQYIQCSCLEP-UHFFFAOYSA-N 433.352 4.778 30 10 IJEE CSc1nc(O)c(C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)cc1C#N 586871507 BNBRIMKWVOCSFE-BBRMVZONSA-N 444.354 4.830 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-c2ncon2)cc1 588961610 SZDCNNIAPFERHU-UHFFFAOYSA-N 431.265 4.858 30 10 IJEE CN(C(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1ccc(C#N)cc1F 610774331 AMCYVMJOULWXDU-UHFFFAOYSA-N 426.245 4.924 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc(-c3cc4sc(N5CCCC5)nc4s3)n2)c1 685275874 HOHRMHPPKBIKMH-UHFFFAOYSA-N 437.550 4.591 30 10 IJEE CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2ccc(C#N)nc2)cs1 734598911 BFXKREBKMAWFAO-UHFFFAOYSA-N 447.303 4.758 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN(C[C@H]2CCCO2)C2CCCC2)c1=S 742166294 UWYQGCQCWRFDFG-LJQANCHMSA-N 428.602 4.657 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 760777074 MMCYMWAHECNHCK-SFHVURJKSA-N 439.581 4.940 30 10 IJEE Cn1cc([C@@H](NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 773840959 VIWFMPFTBURKPT-BAABZTOOSA-N 445.285 4.891 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 802602595 XBPYQLKSFHNZJL-UHFFFAOYSA-N 439.604 4.589 30 10 IJEE C=CCOc1ccc(CN2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1Cl 856560946 QLMSNTWXXYXWAP-QFIPXVFZSA-N 429.992 4.793 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1cccc(Cl)c1Cl 1084524048 ZABMPLCAIJYOGB-ZXPANVQOSA-N 447.351 4.953 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1128110885 FVLIGEGKOWOWRS-UWJYYQICSA-N 444.369 4.742 30 10 IJEE CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1128160555 APRXZNOSMDPLRF-GRERDSQWSA-N 427.932 4.516 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1sc(Br)nc1C 1129588461 IPHSBWIKNCJIST-UHFFFAOYSA-N 432.137 4.794 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1 1129702457 GVCDQQUKJKOSGV-AWEZNQCLSA-N 434.330 4.848 30 10 IJEE Cc1c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc(Br)c1F 1130819775 GRXWITPOZOUZCX-UHFFFAOYSA-N 427.277 4.926 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)CN(C(=O)OC(C)(C)C)C1 1136691072 FWPOPFMTCBIYJB-UHFFFAOYSA-N 432.524 4.982 30 10 IJEE C=CC[C@H](NC(=O)Cc1sc(-c2cccs2)nc1-c1ccccc1)C(=O)OCC 1138147507 PIWZPXVBLHJJQP-INIZCTEOSA-N 426.563 4.705 30 10 IJEE Cc1ccc(Oc2ccc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cc2)nc1 1139787778 BAQWHJHESGBCQF-QHCPKHFHSA-N 446.938 4.858 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCCCCC2)cc1 1142457436 MZKJOOJTIQJNDP-QHCPKHFHSA-N 443.632 4.928 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 1148743155 MNAWSIGDCBSLSD-YJBOKZPZSA-N 428.907 4.707 30 10 IJEE C#C[C@@H](C)N(C)C(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1156192010 VNMNDZKVEWRXLD-RTWAWAEBSA-N 444.575 4.908 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1C 1165776260 IGNQDSUCKHMPJA-GOSISDBHSA-N 449.580 4.885 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC(=O)Nc2ccccc2)nnc1-c1cccc(Cl)c1 1165888537 CZEGYJHACZHRMJ-AWEZNQCLSA-N 441.944 4.613 30 10 IJEE CN1CCO[C@H]([C@@H](Nc2c(C#N)cnc3c(Cl)cccc23)c2ccc(Cl)cc2)C1 1185986642 BVXOSDZJFUPROL-FPOVZHCZSA-N 427.335 4.897 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(C)c(F)c(C)c1 1186395106 DVJYGHAELNALNP-UHFFFAOYSA-N 430.314 4.721 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(NC(=O)C2CCC(CCCC)CC2)cc1 1221751453 MIZIVJGJOKKBQL-CVACMQSGSA-N 427.589 4.764 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1)OCC 1270183598 LBPIZEWPUPMWMN-WOJBJXKFSA-N 436.980 4.832 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)[C@H]1CC 1286565135 JDYHBZPRNPOMNL-MYJYVVNQSA-N 428.552 4.602 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(Cc1ccc(OC)cc1OC)CC1CC1 1286592223 RIDAVTGNQFQGNN-UHFFFAOYSA-N 433.556 4.658 30 10 IJEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286631972 BXRSTCQEDMCIEF-IBGZPJMESA-N 427.980 4.818 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1286663378 BAQCIQNCYPTHSI-LJQANCHMSA-N 444.023 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1286670088 CPZJOWSFLFCEHZ-RBUKOAKNSA-N 448.615 4.809 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1286698021 JIBQUPYXVVLISZ-IBGZPJMESA-N 434.588 4.525 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1OC 1286749065 JDISKOJLPCZHAY-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@](C)(CC)O1 1286750023 LUQFFPFLYSYXOP-YKSBVNFPSA-N 437.613 4.866 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)CC2CCCCC2)cc1 1286795686 DHXQMVBHHXOORJ-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](OC)C(C)(C)C)C1 1286800489 LVDUBEBQLNXKJP-VSKRKVRLSA-N 426.605 4.662 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1C)c1ccccc1 1297968063 MBJQDAOSSGPYMM-WIYYLYMNSA-N 430.386 4.775 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](Cc2ccccc2)c2ncco2)s1 1299940501 GPOZCSUODDSGOG-MRXNPFEDSA-N 433.986 4.927 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCC[C@H]1C 1300282730 PWRQMEVNDSPTMB-KCYKTTMJSA-N 438.572 4.822 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSc1ccccc1 1300516104 IKEGJKPURRYMQB-LJQANCHMSA-N 446.645 4.997 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1ccccc1C 1300839461 HVEDQDOZCKOSMG-SFHVURJKSA-N 426.362 4.842 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@H]2CSC)nnc1C1(c2ccccc2)CCC1 1300863682 RERZMAWBAXULBT-GOSISDBHSA-N 447.446 4.989 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCCN2CC)CC1 1301127800 UFXZIIBQQLMROI-QFIPXVFZSA-N 428.024 4.799 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1Cc1nc(C2CC2)cs1 1301309533 DWVMDNVOXINFRJ-UHFFFAOYSA-N 427.599 4.583 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCO1 1301354459 ATOOZUFVZAVPRP-FQEVSTJZSA-N 441.576 4.535 30 10 IJEE C=CCN(CC=C)c1nnc(C(C)(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1301372344 YGAUHGCUGGSBGB-GOSISDBHSA-N 429.609 4.544 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1C[C@@H]1CC(F)(F)CO1 1301406606 SLTVZALQIOCYIR-IBGZPJMESA-N 428.483 4.506 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCS2)C1 1301538810 KYQFXMNHGFDIAR-NJYVYQBISA-N 442.629 4.712 30 10 IJEE C=CCSCCn1c(COCC)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1301621045 PIGSRGQLGIGVGU-LJQANCHMSA-N 425.602 4.599 30 10 IJEE CC(C)(CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)NC(=O)OC(C)(C)C 1303133574 HPVDSEKSFFIAIX-UHFFFAOYSA-N 437.540 4.560 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1304987893 CQEKNUBLHSAAKU-CRAIPNDOSA-N 437.498 4.608 30 10 IJEE COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2cc(C#N)c(SC)nc2O)cc1 1336915359 OJBIBODAEJZBTH-HNNXBMFYSA-N 433.533 4.890 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC1CCOCC1 1358906851 VRECOHXLJRNPKP-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@](C)(CC)C1 1359077611 GZLCXBPYFQYHNJ-NQIIRXRSSA-N 433.394 4.734 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)Cc1csc(CC)n1 1359146507 APUSYSFHHOQSRQ-UHFFFAOYSA-N 447.992 4.760 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359162263 KRJPRXNAVLDLCM-OAQYLSRUSA-N 444.023 4.884 30 10 IJEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](C(CC)CC)N(C)C)CC1 1359167861 XIVNARMDEZPWLX-XMMPIXPASA-N 434.632 4.804 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@](C)(CC)C1 1359223169 CDMHQYLRJIJHMA-KOSHJBKYSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1cc(C)oc1C 1359235033 LFUKPOMKNFBNSW-OAQYLSRUSA-N 435.355 4.992 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCCC1 1359244898 UVWCYCFWBAZKBM-FQEVSTJZSA-N 434.053 4.966 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cc(C)oc1C 1359262898 IVOVQYRIEHGEJF-DEOSSOPVSA-N 449.580 4.712 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1359289355 YNMKXFFDYNHGCR-UHFFFAOYSA-N 436.581 4.821 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1359289959 XGBIZDFWJBGDJJ-WBVHZDCISA-N 439.387 4.991 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1OC 1434918433 FPOYMSKEULZRNR-UXBLZVDNSA-N 439.512 4.936 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1 1435306138 FEZBAUHAXUTOQB-WZONZLPQSA-N 425.488 4.583 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(C)c(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C 1436713646 HGSGLRKDWQMRGN-HXUWFJFHSA-N 439.325 4.628 30 10 IJEE C=C(CC(C)C)C(=O)N1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1456149343 YDDNPBBMSLFDKY-PMACEKPBSA-N 428.573 4.745 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(Cc3nc4c(s3)C(C)(C)CC(C)(C)C4)cnc21 1458870831 OWUIXPFSLOVWPM-UHFFFAOYSA-N 432.640 4.930 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 1459315746 QUXCMVOYSGLXPE-VZWFDDOASA-N 443.503 4.951 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)OCc3ccc(Cl)cc3-n3cncn3)c2)cc1 1459725084 GELVNUBYRCQUCY-UHFFFAOYSA-N 444.878 4.728 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1Br 1459831378 GEKBTCLYECPMES-SLEUVZQESA-N 432.343 4.698 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2c(Br)cnn2C2CC2)s1 1463396082 UHTSQJKEKDJGTL-UHFFFAOYSA-N 447.811 4.771 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1(c2cccc(Cl)c2F)CCCC1 1463516649 FKMPUIHFHHYWMF-UHFFFAOYSA-N 427.328 4.794 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1 1465177940 FGSKKUJUWYDCJB-LJQANCHMSA-N 433.529 4.876 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 1465312265 GCKQRSWYSSTKLV-IBGZPJMESA-N 441.959 4.552 30 10 IJEE N#Cc1ccc(NC(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1Br 1466498791 GHIHCNQGXJCXHE-UHFFFAOYSA-N 433.212 4.576 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1469491182 KOBDACMTOQSRQU-ICSRJNTNSA-N 431.458 4.817 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)OC 1471126307 XETLXVUOQYUXNW-FQEVSTJZSA-N 440.927 4.611 30 10 IJEE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1scc(C)c1C#N 1476558671 HVQMYLMTELSYFH-RTBURBONSA-N 440.569 4.972 30 10 IJEE C#Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c(Cl)c1 1477146954 JZRGPBICAOSNDP-SFHVURJKSA-N 437.696 4.828 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 1478537156 CUTOWRSXJOTFFH-FXAWDEMLSA-N 429.351 4.689 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1503968430 BCXRYSKAODHNDY-QXATTWAWSA-N 449.958 4.575 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](C)C1 1507848733 RCSLQKNQULUQKC-LJQANCHMSA-N 444.645 4.689 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1507888084 CCTUXLBSYITPLE-NRFANRHFSA-N 430.600 4.550 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCCC[C@H]2C)CC1 1507888972 QXJWMUIZNRYQQN-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1507899339 BVRPHNYSRKBBJE-UHFFFAOYSA-N 444.583 4.775 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](C)[C@H]1C 1507962367 RDTLJVVWRUWEJI-QZTJIDSGSA-N 439.585 4.523 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)N[C@H](C)c1ccccc1)C1CC1 1507994156 MRYHQONJMYKBGD-HXUWFJFHSA-N 430.600 4.933 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)CC[C@@H]1C)C(C)C 1508014179 TXPLZWIZWNOQME-ODGPQVTHSA-N 436.648 4.972 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCC[C@H](C)C1 1508015197 NCHBAJFXUXAAKS-LEWJYISDSA-N 445.615 4.634 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508105064 OYYKFGSKSPBDLA-VWLOTQADSA-N 426.605 4.731 30 10 IJEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1)N(C)C 1509105730 CSWNNDMWFSHGFN-GMKZXUHWSA-N 434.632 4.810 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)c(C#N)s1 1520662710 AJFDAVHROSAWNL-QFIPXVFZSA-N 429.517 4.607 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCCc1ccc(Br)cc1 1523507218 FDOQIFDTBLHCOY-UHFFFAOYSA-N 447.325 4.901 30 10 IJEE C=CCCCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 1524209051 WZHGEZSMBHNRHG-RDGATRHJSA-N 436.552 4.661 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCOCC4)o3)cc2Cl)cc1 1527788662 GDEVDPXBMOFROO-UHFFFAOYSA-N 437.883 4.681 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c1 1527974939 KTQHBFACDPYRES-IBGZPJMESA-N 430.529 4.569 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1534092959 BHKWUCPSRGKTRB-MRXNPFEDSA-N 449.869 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCc1cc(C#N)ccc1F)CC1CCCCC1 1534982106 APSAICGZCVELRO-FQEVSTJZSA-N 431.552 4.957 30 10 IJEE CC(C)CN1N=C(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCC1=O 1537445042 DFQQGRVVYGNDRC-UHFFFAOYSA-N 441.347 4.549 30 10 IJEE C=CC[C@]1(C(=O)Nc2nccc(-c3ccc(F)c(F)c3)n2)CCCN1C(=O)OC(C)(C)C 1538040197 LRXGNCYIDPBNBP-HSZRJFAPSA-N 444.482 4.706 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCc2ccccc2CC1 1539691143 KYDWGKRQPDAQOZ-UHFFFAOYSA-N 429.387 4.950 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1539787518 OVXOBILBIWQZAW-UHFFFAOYSA-N 442.869 4.804 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1539874377 MAWFRCOUEIKUAU-UGKGYDQZSA-N 443.611 4.936 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1539909372 KSVLMQJEIFZZKB-UHFFFAOYSA-N 440.617 4.849 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC)(CC)C1)c1ccccc1 1539931835 QOTIFZJKEHQIME-QFIPXVFZSA-N 435.616 4.891 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1539974275 OAUWKFRBQFIEAK-FQEVSTJZSA-N 428.552 4.605 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1 1539974558 QWVRVYTVLFTFSS-UHFFFAOYSA-N 436.478 4.921 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCc2cccnc21 1540062772 XKYFGGRNDYIHAX-KRWDZBQOSA-N 438.373 4.845 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(c2ccccn2)CCC1 1541106687 ALKXZPUAGFBOKU-INIZCTEOSA-N 438.938 4.850 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 1542502986 BTAHBEPWPDJKNE-HRAATJIYSA-N 444.551 4.747 30 10 IJEE CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)CCCC1 1547932038 AKHRGEDDLRRWNK-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE COC1(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1554706492 AKIBJCLWSSMTPS-JOCHJYFZSA-N 445.514 4.636 30 10 IJEE C#CCN(C(=O)c1ccc(N(CC)CCCC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370363 LQHCVEFSZKIIMR-UHFFFAOYSA-N 441.616 4.788 30 10 IJEE C#CCN(C(=O)Nc1cc(-c2ccccc2)cnc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1562579905 VRJMOXRYZPFOFY-UHFFFAOYSA-N 448.567 4.924 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C1 1562816653 DOYHAXSNVCQBQO-HXUWFJFHSA-N 441.373 4.923 30 10 IJEE C=C(CCC(=O)OC)C(=O)N(Cc1ccc(OCC)cc1)c1ccc(OC)c(Cl)c1 1565656910 WLDRRGCKGGVUMB-UHFFFAOYSA-N 431.916 4.790 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(CCC#N)C(C)C)c2)cc1 1583888679 HUOKUDUZWGUZKX-UHFFFAOYSA-N 441.597 4.903 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C1CCC1 1584728974 FFWFAFIMMNQUNG-JOCHJYFZSA-N 435.524 4.769 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1F 1584733294 NGRKZUQTQOZMOT-HKUYNNGSSA-N 434.939 4.697 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 1585275303 CVZVVTMJUNOGEL-UHFFFAOYSA-N 445.320 4.649 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1587921803 JRXDEFRVEFOJHD-DHLKQENFSA-N 445.611 4.873 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C)C2CCCC2)CC1 1594192207 FPDQCYYOCMUEKL-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1594504584 XUCRUHGQJCJCBE-NQIIRXRSSA-N 437.613 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1CC 1595148866 AIBYKYLPWVXXSZ-GOSISDBHSA-N 443.020 4.732 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccccc21)C(C)C 1595171795 YMWHISBEERNRGH-RPWUZVMVSA-N 435.616 4.913 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)CN1CCCCC1 1595200791 QFZORIAWKIPEMI-OAQYLSRUSA-N 432.616 4.737 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1615332916 VQVXPJYMYLPOPA-FQEVSTJZSA-N 427.548 4.755 30 10 IJEE C=C(Br)CN1CCOC[C@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1620606952 FPMJZJCHOHLBSA-DLBZAZTESA-N 437.378 4.525 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(F)cc1 1623380876 YXXSBYOFEHBOER-ZDUSSCGKSA-N 426.320 4.852 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 1624488603 CGEAMTCPDNHUJV-VWLOTQADSA-N 425.488 4.718 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1629090433 BIQHSVIPZFXVAI-UHFFFAOYSA-N 435.295 4.893 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccccc3)n[nH]2)c1C 1631180519 XJAYZAHEDPIVOB-URXFXBBRSA-N 447.583 4.585 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C)(C)c3ccc(OC(F)(F)F)cc3)n[nH]2)c1C 1634720538 CIAUNMXUDNWMSA-UHFFFAOYSA-N 447.461 4.640 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1635343151 NDQXOSIEEITVEH-KRWDZBQOSA-N 425.326 4.721 30 10 IJEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CCCCC1 1635708700 YKFRLIWBGQNQME-UHFFFAOYSA-N 430.957 4.597 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C 1636639526 BCTTYJPWBMLFAD-PPHZAIPVSA-N 426.516 4.551 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC3(CCC3)C2)c1 1639686401 HIIFWRIMXOSSRA-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 1639817797 YETBRQYWPOCHHD-OAQYLSRUSA-N 432.383 4.851 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)c1C#N 1646004220 AGMFMWCKUIABNA-UHFFFAOYSA-N 426.929 4.807 30 10 IJEE C=CCn1c(SCCOc2ccccc2C(=O)OC(C)(C)C)nc2sccc2c1=O 1652469172 DORZEUXSWCLHJT-UHFFFAOYSA-N 444.578 4.770 30 10 IJEE C=CCn1c(Sc2nnc(C(F)(F)F)s2)nnc1-c1ccc(Br)cc1 1654930029 XLMMXQQTLRQLNI-UHFFFAOYSA-N 448.293 4.915 30 10 IJEE N#Cc1cccc(Oc2ccnc(N(CCN3CCCC3)Cc3ccc(Cl)cc3)n2)c1 1655270181 CNHDDZPPIRPHTO-UHFFFAOYSA-N 433.943 4.896 30 10 IJEE C=CCn1c(SCc2nc3ccccc3c(C)c2C(=O)OCC)nc2ccccc2c1=O 1656040518 XPWUHSARYGLHCY-UHFFFAOYSA-N 445.544 4.908 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2ccc(C)c(C)c2)c(C(=O)OCC)c1C 1656058577 YQFMYZVNSWPUIF-UHFFFAOYSA-N 447.578 4.924 30 10 IJEE N#C[C@@H]1CN(Cc2ccc(Br)cc2C(F)(F)F)CCN1Cc1ccccc1 1658695053 CWAQJEASFUZCCE-GOSISDBHSA-N 438.291 4.678 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(C)c(F)c2)c1 1659248861 WSMSCMFUDMXZSE-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE Cc1cccc(S(=O)(=O)NCC(C)(C)c2ccc(Br)cc2Cl)c1C#N 1662131241 GTNNECNHSIOKLB-UHFFFAOYSA-N 441.778 4.539 30 10 IJEE C=C(C)COc1cc(CNc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)ccc1OC 1663227692 UQNGTESJUCCLSK-UHFFFAOYSA-N 444.597 4.683 30 10 IJEE C#CCCS(=O)(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1666020660 FKOWBXUWLWLVOU-QHCPKHFHSA-N 428.557 4.910 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 1667640120 HZXSPPULJFJOLW-UHFFFAOYSA-N 443.985 4.675 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 1668741000 BFULDSSHEFWEQL-IYBDPMFKSA-N 447.457 4.975 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)cc1Cl 1673458183 DRJMEVGIWRWTIW-TZIWHRDSSA-N 439.943 4.533 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 1675796339 KGROGSYSSIJXKB-UHFFFAOYSA-N 429.307 4.821 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1686917652 QYHUOOAILZFWAF-OALUTQOASA-N 434.298 4.620 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)CCCC1 1687039358 DCWDCATURPKTCD-QHCPKHFHSA-N 425.617 4.826 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCCc1nc(C)cs1 1689828397 NTWCOTLYADPJIW-MSOLQXFVSA-N 441.576 4.803 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)N1CCCCC1 1689836063 XSOCJYSRNIWOJU-RBUKOAKNSA-N 439.673 4.854 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1F 1690036970 HTWRQGBAKJFDRE-UHFFFAOYSA-N 432.568 4.926 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC2CCN(CC)CC2)CC1 1690412247 JTFLFWKOBOGZSL-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCN(c3ccccc3OC)C2)CC1 1690412339 MMRRSBUPQADNLV-NRFANRHFSA-N 437.632 4.804 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(c3ccsc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690439835 QEYJOPPBJWJASU-XMMPIXPASA-N 444.645 4.978 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1690462287 CWWFUCZTOIGUNU-PMACEKPBSA-N 447.624 4.617 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690476464 DICKRVHQEQGYEM-CVEARBPZSA-N 449.368 4.676 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCn2ccnc21 1690535061 VLGDFIZRIHQJEW-MRXNPFEDSA-N 428.993 4.620 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@]1(C)CCCS1 1690557989 AYQKFXFNVKDQCX-XMMPIXPASA-N 432.597 4.634 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccccc2C(F)(F)F)C1 1690690204 UBPZVPQWBOGNTG-GOSISDBHSA-N 446.473 4.889 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705653797 QAWFMXNSSXZFHF-ZYSHUDEJSA-N 431.005 4.530 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 1705701603 HFNXGRDMTNHUMV-RBWAZQEJSA-N 443.680 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC1(N(C)C)CCCCC1 1705719295 SFMXITALULIGRG-UHFFFAOYSA-N 434.632 4.948 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCN(CCc3ccccc3)C2)CC1 1705782749 HDZBXTPITSHJGQ-DEOSSOPVSA-N 435.660 4.834 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCN(C)C2CCCCC2)CC1 1705783772 UIZKYIQIZTYGEU-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCOC1 1705788192 SCPVBJZUXDYNEO-INIZCTEOSA-N 433.394 4.783 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1scnc1C 1705826133 PADVGRXVLICKHP-UHFFFAOYSA-N 435.956 4.732 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCc1csc(C)n1 1705862540 NXTTYCXOSCXCKE-UHFFFAOYSA-N 436.560 4.623 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncccc1N(C)C 1705871755 WFQICQFICJLSIR-UHFFFAOYSA-N 443.382 4.940 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)SC)C1 1705920988 JLDMRFVIVQPVOB-HXUWFJFHSA-N 425.602 4.520 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(OC)CCCC1 1710132937 AWVCFGCBXOTXIN-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccccn1 1722311302 UVJJDJCSVVVCSS-UHFFFAOYSA-N 442.336 4.682 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H](OC)C(CC)CC 1722348302 VNLGQSSRGCODBG-HXUWFJFHSA-N 447.421 4.927 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722546886 CJEWZPWLKRSNCZ-CYBMUJFWSA-N 437.306 4.566 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCN2CCC)CC1 1722580303 ZYMXXCQBSQYWRO-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1722613745 OKVXVTLUBKTIPG-GOSISDBHSA-N 440.617 4.582 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C(C)C 1722617154 HFBVYNHBMBDHES-PMACEKPBSA-N 431.625 4.984 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1722622378 MHAKXHZRSGMEQS-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCOC1CCCCC1 1722644843 QNCDVIYREMFXOH-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CCN1CCCC(C)(C)C1 1722676258 WJYNPBOAZGNCGM-UHFFFAOYSA-N 437.588 4.797 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC=CCC1 1722679333 XIZDNZFIUOXPFX-HNNXBMFYSA-N 437.407 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)C1 1722718835 VETGITBLNVNPJH-TUACAJSNSA-N 438.616 4.884 30 10 IJEE C[C@H]1C[C@H](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CCO1 1726469847 HXPYQKACDZJKAP-BDKRGJGYSA-N 443.636 4.532 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)Nc1ccccc1 1740539068 MWMBGWTYPWCTSG-QZTJIDSGSA-N 447.608 4.618 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)CCC(F)(F)F 1740572198 CQAAESWERCHPCR-UHFFFAOYSA-N 429.284 4.900 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCN(CC(C)C)C1 1740649450 UNULZAVBAKZFEG-AZGAKELHSA-N 445.655 4.651 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1740708932 GGATWMOUPDSXDF-FUPPJEDESA-N 439.673 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1740724489 DNPHFNCTXCDOBB-CFGBTRHTSA-N 438.547 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](CC)C1 1740845201 IEZFNXYFLVHSKQ-AWEZNQCLSA-N 439.423 4.987 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1740855770 OIONXBPCQXNHAS-ZEQRLZLVSA-N 445.611 4.875 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCC 1740863196 RLBKANLGQJBMQB-RBUKOAKNSA-N 435.613 4.568 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(C)C)C1 1740869811 AEJSFQSBQHZQTB-GOSISDBHSA-N 437.357 4.674 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1740875929 ACPZGZWQTOGDBO-WFXMLNOXSA-N 428.602 4.867 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(N(C)C)CCCC1)C1CC1 1740905765 HCWRVFKYRAXPSO-SFHVURJKSA-N 427.568 4.586 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C/C=C/c1ccccc1)C1CC1 1740908323 SRQVNNWUSFDAQH-JXMROGBWSA-N 438.373 4.914 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC1(SC)CCC1 1740916062 BSNXGWFZRPLROD-NRFANRHFSA-N 437.613 4.522 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCO[C@@H](C)C1 1740921569 YVYHVGSAQGDJQC-JAXLGGSGSA-N 442.579 4.709 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC(C)C)CC1 1740968918 HRRLOCSOQQUNKC-QHCPKHFHSA-N 440.588 4.527 30 10 IJEE CCc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)s1 1744368172 FVHXTWWNUIPBMO-UHFFFAOYSA-N 447.564 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1748680029 NBXTZRAKEHAWNP-PTLVVNQVSA-N 433.600 4.580 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1748736242 LHKKKLANBYMTHO-UNMCSNQZSA-N 432.572 4.523 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nc(C(C)C)cs1 1748922788 MAPSHGWAPSKXRF-UHFFFAOYSA-N 432.553 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]1C 1749126049 ZUICORXMRPSCND-LEDOBFOHSA-N 440.588 4.711 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C)=C(Br)C1 1749203585 CQTMXAPSBTVBOS-UHFFFAOYSA-N 431.378 4.929 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[C@@H]2C)CC1 1749331308 XISAOUDXIIZFEL-PKOBYXMFSA-N 440.588 4.810 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749377315 QJDKVACTZISXJT-UYAOXDASSA-N 429.634 4.677 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1749397169 OXZJRODJBHYIRV-UHFFFAOYSA-N 434.441 4.886 30 10 IJEE C=CCCCCn1c(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nnc1C(C)(C)C 1749409384 VHFAMYNTGXYYPG-KRWDZBQOSA-N 445.011 4.835 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1749434329 OLESSYQKRWXNRP-OALUTQOASA-N 432.996 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1cccc(C)c1 1749551021 PFKMDAUKQXXYRO-NQIIRXRSSA-N 435.597 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccnc2)C(C)C)C1 1749718826 ZDRQYCMWDYBQIR-YADHBBJMSA-N 437.613 4.547 30 10 IJEE CSC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1750259225 IFZHLANBGOHOIH-NRFANRHFSA-N 446.020 4.641 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCNC(=O)OC(C)(C)C 1760106550 MAORKQDTZXQVOP-OAHLLOKOSA-N 449.958 4.500 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1760111982 YHIJOLISFKDKDN-SFHVURJKSA-N 446.555 4.502 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(c2nccs2)CC1 1760131846 BPVNRUVAKWWUJX-UHFFFAOYSA-N 441.004 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCN1CCC 1760331498 VZYHEXKXEQDTEB-GOSISDBHSA-N 449.441 4.703 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)C2CCCCC2)CC1 1760383879 BQLFYNUJYNCSJC-NRFANRHFSA-N 448.409 4.523 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(C)C)CC1 1760408189 FBCXPHSMRJQLIX-UHFFFAOYSA-N 441.620 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760413333 FHBDOFRQTWBOCD-QGZVFWFLSA-N 442.913 4.892 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)CC1 1760447776 QXEXADRWEIWQLO-INIZCTEOSA-N 440.922 4.900 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(COC)CCCCC1)C1CC1 1760470959 IBGXBHHMEJKYJA-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1760478398 GJXVPTFSUGZHFX-AREMUKBSSA-N 447.583 4.757 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)SC 1760500416 ZZGYQHNCBLWXEI-UHFFFAOYSA-N 440.569 4.644 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1c(F)cccc1SC 1760501651 XQSSJFZOUVEVJN-QGZVFWFLSA-N 442.560 4.519 30 10 IJEE CC(C)SCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C#N)C1 1761325093 ALPBBDYJPFRNGD-AWEZNQCLSA-N 448.017 4.684 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)C)CCN1CC(F)(F)F 1763081323 FFXGVCPFANODCA-QGZVFWFLSA-N 448.537 4.716 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COC)C1 1768377018 ANPFMHABKNOZJT-HXUWFJFHSA-N 427.618 4.601 30 10 IJEE COc1cc(/C=C2/SC(=Nc3ccccn3)N(c3ccccc3)C2=O)cc(OC)c1O 1772731590 OCNLOTNVOXTBMZ-ZWPOCWBHSA-N 433.489 4.613 30 10 IJEE CCOc1ccc(CCn2c(C)cc(OCc3cccc(C#N)c3)cc2=O)cc1OCC 1857923027 KDKIADWABXZSCI-UHFFFAOYSA-N 432.520 4.648 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc2ccc(CN(CC)CC)cc2s1 1859481611 VWVUEYDOGRNGDA-UHFFFAOYSA-N 425.554 4.720 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)cc1 1862412477 FSHHQAVXDZSZDR-OAQYLSRUSA-N 429.463 4.667 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862413212 XWJASEWQQGDBAL-FQEVSTJZSA-N 425.456 4.847 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1OC 1862437188 LHKZIZQMWVXJOT-NRFANRHFSA-N 443.927 4.982 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 1862442425 JDAYLWIYWGOMND-OAQYLSRUSA-N 444.934 4.789 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862449523 MZZZQWMXDKHKQK-XOBRGWDASA-N 427.928 4.597 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862519086 AYECXOCKXXHFBS-JOCHJYFZSA-N 449.503 4.695 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(O)c1 1862596310 DWMDXEUMRHMSMZ-IBGZPJMESA-N 431.410 4.932 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1Cl 1862631541 COUZHZGLYWLPFR-SFHVURJKSA-N 434.275 4.709 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862674271 UXQZGVYPOXLXLE-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1CCc1ccccc1 1862746848 KBXIVMXWFYPPHI-QHCPKHFHSA-N 442.471 4.724 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)cc1 1862746977 LPOHREXSABFMMR-NYHFZMIOSA-N 444.443 4.640 30 10 IJEE CCOc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2ccccc2C#N)C1=O 1863136232 DDRMIDZODUXYQE-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccc(C)c3)C2=O)cc1 1863211092 BCHUPLBYMSJKDH-UHFFFAOYSA-N 437.499 4.658 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCCCCO)C1=O 1863675033 UXZSIWSKYCFILO-UHFFFAOYSA-N 444.616 4.668 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@H]2C(C)C)nc(-c2ccc(F)cc2)n1 1869285817 QSKOLCBBMAEVPL-XMMPIXPASA-N 432.547 4.944 30 10 IJEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)CCCOc1ccccc1Cl 1870105959 PYFQWMLXJYLRLV-UHFFFAOYSA-N 445.910 4.802 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1CCc1ccccc1 1870689991 NMVDHMUSLICSIO-UHFFFAOYSA-N 428.576 4.887 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1ccc(C)c(C)c1 1871237005 CQECKPCNCSGUOV-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)c(OC)cc2OC)C3=O)C1 1871352374 DUNPFSXOUKLTQM-JJFYIABZSA-N 439.508 4.589 30 10 IJEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871408950 GYBAJMKEJBUDFJ-YOBACFSGSA-N 444.443 4.925 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)o1 1871439287 QWFUWOBVFWZOGQ-JJFYIABZSA-N 448.427 4.689 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871901160 UHXUGVWFHRNWOU-DEOSSOPVSA-N 434.561 4.860 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872100589 WHLKUADCRPGEDG-XXBNENTESA-N 428.598 4.788 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872146609 RNUPIAKIHMEDDA-QFIPXVFZSA-N 427.570 4.518 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(OC)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872308969 QGKJCBCEAHCBSZ-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872505869 ZGDMPMLSSFBSFU-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE CCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1c(C)cccc1C(C)C 1872710238 ZMXJXNUNIUIHOI-UHFFFAOYSA-N 430.549 4.609 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1F 1874232491 MYKXAWROECWGLB-CVKSISIWSA-N 448.523 4.503 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874355483 MHLKIVTXKLIZIY-FOKLQQMPSA-N 428.945 4.904 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccncc2)c1C 1874420851 HQGJBFDSHIYBHR-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2)o1 1874438165 NAYVTYVDWPJXHP-OEAKJJBVSA-N 426.542 4.811 30 10 IJEE Cc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)NC1CCCCC1 1874439454 BUSVFPTTYLRZLL-BUVRLJJBSA-N 427.618 4.598 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1CCCO1 1874450334 ZHLSQMMLWCLDFQ-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1cccc(OCC)c1 1874477773 KXQQZOQQQOQXQK-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C2CCCC2)c1OCc1ccc(F)cc1 1874559669 GHZQWTVGVJCSIH-ZMOGYAJESA-N 426.517 4.833 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 1874608371 KVEMQUCBHKYGNI-BJMVGYQFSA-N 432.900 4.831 30 10 IJEE CC(C)CN=C1NC(=O)[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 1875685442 DDUKNNODLZIRLP-RUZDIDTESA-N 443.547 4.617 30 10 IJEE Cc1c(C#C[Si](C)(C)C)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C(=O)O 1887524918 DBBFYHNLOOOQPF-UHFFFAOYSA-N 444.648 4.596 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 1922069923 VEFQYNGZUJDTGE-OALUTQOASA-N 430.511 4.831 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2ccc(C#N)c(Br)c2)C1 1957284830 XPYANSAUZXMYRN-UHFFFAOYSA-N 442.357 4.947 30 10 IJEE CCCCCC#CC[C@H](N)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024389389 ZQGDVAUSTCYAFQ-QHCPKHFHSA-N 427.633 4.847 30 10 IJEE N#Cc1ccc(Br)cc1NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2026167594 SJETXYHRHPHHLI-MOMVYJMYSA-N 426.314 4.580 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCN(Cc2ccccc2)CC12CCC2 2037432713 RLXSAEXAGCVEMC-XCZPVHLTSA-N 434.624 4.545 30 10 IJEE CCCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC 2040456486 AKJHUSXCHXDLLF-UHFFFAOYSA-N 433.298 4.914 30 10 IJEE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(N2CCCC2=O)c1 2040483429 VPRLQFGJMNPRGG-UHFFFAOYSA-N 434.499 4.957 30 10 IJEE CCCOc1ccc([C@H](C2CC2)n2nc(CC)c(C#N)c2I)cc1 2080128408 OVGRVRLHRAVWFV-SFHVURJKSA-N 435.309 4.710 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@@](C#N)(C2CC2)C1 2181049479 XOAPZMQKVFQQRB-FQEVSTJZSA-N 434.334 4.562 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CC1(N(C)C(=O)OC(C)(C)C)CC1 2235719593 AZQZGOOZWHNIQQ-GOSISDBHSA-N 435.406 4.958 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)C(C)C 2235725248 IUERZMKYJKOFMC-QUCCMNQESA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)C#Cc1ccccc1 2237418308 JURGOKDXUICUME-LJQANCHMSA-N 428.326 4.506 30 10 IJEE C=C1CC(CO)(Nc2sc(Br)c(Br)c2Br)C1 2242860727 LHOWCRVLDRQBPB-UHFFFAOYSA-N 431.975 4.529 30 10 IJEE CCCN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)C1CCN(Cc2ccccc2)CC1 2267581204 OKWGXSKFGUEDAE-UHFFFAOYSA-N 440.437 4.762 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)C#Cc2cccc(Br)c2)CCSCC1 2278733809 YFZICUXJFYDGGS-UHFFFAOYSA-N 438.387 4.550 30 10 IJEE C=CCCC1([C@@H](Cc2cc(F)cc(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2281056010 MSSMYNGPNZGISX-GOSISDBHSA-N 441.385 4.922 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2296220401 XWDBAOBRADZRAR-ICSRJNTNSA-N 435.406 4.720 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccccc1 2296771475 DOCOBSOWSRBCBT-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 2296928111 QVBCIMMCPPVYJW-JOCHJYFZSA-N 449.890 4.984 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2305320327 UAKNMBOACXBREB-HDTAIWHDSA-N 428.573 4.601 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 2314478355 SEQRHLQIWWEZFC-DEOSSOPVSA-N 445.471 4.562 30 10 IJEE CCCCCOc1ccc(C=NNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1OCC 2318414951 JIZYUKUYRGICNE-UHFFFAOYSA-N 448.585 4.754 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)c1 2323178097 IHTJAHAVLLJBBP-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE C[C@@H](NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 2323200225 AXLOHDBOEXPMJY-GOSISDBHSA-N 429.472 4.568 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(C=CC(=O)c2ccc(CC)cc2)cc1[N+](=O)[O-] 2323472530 HRNFKHKFJPDQMP-UHFFFAOYSA-N 441.480 4.784 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(SCCO)n2N=Cc2cccs2)cc1 2325868517 YRFKIWLGAREWSQ-UHFFFAOYSA-N 444.626 4.615 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(OC)c(O)c1 2326380084 GXZBJZNXCHHGAE-UHFFFAOYSA-N 440.569 4.615 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2327970819 QFEXLKVBMDLFTH-UHFFFAOYSA-N 449.363 4.517 30 10 IJEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2328051339 UENLTDJHYVUYKU-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccccc1C 2330047826 DSLZGEICVNVTGB-IBGZPJMESA-N 435.597 4.581 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccccn1 2330645395 QSAKCZZKVIYIDH-UHFFFAOYSA-N 444.443 4.842 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)CCOC 2331500526 SRUXTHNHBNGEGE-UHFFFAOYSA-N 441.480 4.955 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCC(=O)OCCC)cc1 2331666394 KCHGXISBOOKJFP-UHFFFAOYSA-N 432.590 4.727 30 10 IJEE CC#CCN(C[C@H](NCCC)c1ccc(F)cc1Br)C(=O)OC(C)(C)C 2337912577 ZKJWMEMHHHNPQM-SFHVURJKSA-N 427.358 4.889 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588621 LJSCHWHSJHYGRU-LUOJLBBYSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339595784 DTUOIQNGJJCPMG-OUKQBFOZSA-N 443.397 4.562 30 10 IJEE C[C@@H]1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339595835 LJHUMVDUXYRHBF-WXVNRZFOSA-N 443.397 4.926 30 10 IJEE Cc1sc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c(Br)c1C 2342566500 RRIPDBYNUACJFK-SFHVURJKSA-N 428.201 4.826 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@H]4CN(Cc5ccccc5)C[C@]4(C)C3)nc2)OC1(C)C 2365055948 SSKBSNGRANZBEK-YIXXDRMTSA-N 445.416 4.685 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2365118312 ZTHCMDACKZHOGF-SVTOKYKXSA-N 445.416 4.685 30 10 IJEE Cc1cc(CNC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682638 YCWZWWXZBDERNM-FGZHOGPDSA-N 448.460 4.540 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(N)C#Cc1ccccc1Br 2380858743 CONHREFZDYTKNL-LFWOZUSOSA-N 433.390 4.602 30 10 IJEE C=C[C@@](C)(CCC=C(C)C)c1ccc2c3c(c[nH]c13)C[C@H](CO)NC(=O)[C@@H](C(C)C)N2C 2573805 KISDGNGREAJPQR-WMBPSLEXSA-N 437.628 4.852 30 10 IJEE in-vitro C=CCN1C(=O)COc2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 16661248 AFXORBXEKXOXMO-UHFFFAOYSA-N 444.331 4.888 30 10 IJEE N#Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc2c1CCCC2 20570312 ALFYPSBBDUTXES-UHFFFAOYSA-N 437.546 4.552 30 10 IJEE Cc1ccc(C(=O)Nc2cccc(/C=C(/C(=O)C(=O)O)c3ccc4ccccc4n3)c2)cc1 34890673 JMJNPSUTMGHFRE-CJLVFECKSA-N 436.467 4.990 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c(OC)c1 39754472 WTUPOAKHUQSOMJ-KSEXSDGBSA-N 433.416 4.807 30 10 IJEE CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 41432173 SYJHFOGMSBYTSM-YVNNLAQVSA-N 435.476 4.536 30 10 IJEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CCCCOc3ccc(Cl)cc3)C2=O)cc1 96546683 MMPWBDRJFGMGAU-XMMPIXPASA-N 442.943 4.921 30 10 IJEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2cccc(C(=O)OC)c2)c1 100278136 TYNYEDIOBDGPGZ-UHFFFAOYSA-N 428.554 4.949 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170058340 MVPOZYXTYSHDHN-FXAWDEMLSA-N 429.875 4.545 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2ccc(C)c(C)c2)C1=O 170115560 KWTFLJCCSMLRNI-UHFFFAOYSA-N 429.564 4.918 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccn1)c1ccc(Cl)cc1 170176623 FGSGFSHBJAIAHX-LJQANCHMSA-N 426.806 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1C(C)C 170208047 KYPJAAYENMMTNL-JOCHJYFZSA-N 432.476 4.585 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)c1 170240114 MLDRXKAIFLZSIB-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)c1 170242212 NABQDLPTMQNLCB-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccco2)c1 170279300 AAVPXRXEHCPGDT-QHCPKHFHSA-N 446.503 4.916 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)cc1 170285421 KXYFRQREISJMEI-IQMFZBJNSA-N 445.471 4.785 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1c1ccco1 170294700 IYTSQMKPDOOXSI-QGZVFWFLSA-N 430.254 4.777 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(C)o1 170308660 AGTYRYWVCBXJRY-LJQANCHMSA-N 429.856 4.602 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CCCC2)o1 170310872 KIDAQFYZDLEKNT-SFHVURJKSA-N 430.298 4.871 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc2c(C)cccc12 170509465 FDUWZHBSMKIDHQ-UHFFFAOYSA-N 446.854 4.723 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H](CN(C)Cc1ccccc1)C(C)C 398071490 ZAJREWLWVQMSLD-QFIPXVFZSA-N 429.402 4.707 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 460935551 KEAXJTNRRQEFCR-QFIPXVFZSA-N 434.588 4.806 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)N1CCC[C@H](C)C1)C(C)C 489679605 BGYSIULEYUBMLB-SIKLNZKXSA-N 442.629 4.727 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490047631 FGSHYTFLGOHAEO-HUUCEWRRSA-N 440.638 4.650 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])s2)c1 526605420 BUEQFNHIOJHFKF-HXUWFJFHSA-N 433.445 4.594 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@H](c4ccccc4F)C3)n2Cc2ccccc2)c1 549125616 HVIVFTCIBNFOPM-DEOSSOPVSA-N 439.494 4.582 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N3CCCCCC3)CC2)c1 585954204 IRRRZUARDBCJQE-UHFFFAOYSA-N 426.605 4.714 30 10 IJEE CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 728061819 CBAVLIZWGOAMCP-QGZVFWFLSA-N 428.492 4.535 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1CC 733200990 IOAGRAHRDHOMRI-QFIPXVFZSA-N 433.577 4.849 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 742162031 LMNXCPPZQNKXIY-AVRDEDQJSA-N 438.572 4.749 30 10 IJEE C/C(=C\C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1C(F)(F)F 745273692 QANXQPQPSOHJFD-INFVRCAFSA-N 430.426 4.987 30 10 IJEE CCCCCCCOc1ccc(/C=C\c2nc(O)c3cnn(-c4ncccn4)c3n2)cc1 746519312 BUAQILSFYPMTJC-RAXLEYEMSA-N 430.512 4.831 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc3c(c2)CCCC3)cc1 762439695 HCMIUJWAAMICBY-AVCGJXAMSA-O 430.597 4.714 30 10 IJEE COc1ccc(CNCc2cn(-c3ccc(Br)cc3)nc2C(C)C)cc1C#N 763497385 PVPYSVICKHEJFM-UHFFFAOYSA-N 439.357 4.928 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 775334834 BWNVZHTVENFXFS-SJORKVTESA-N 432.590 4.849 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(CC[C@H](C)F)C2=O)cc1 814711553 NFRQCASOIXDRQT-SCLBCKFNSA-N 447.557 4.659 30 10 IJEE O=[N+]([O-])c1ccc(N2CCCCCC2)c(C=Nn2cnnc2SCc2ccccc2)c1 1084649745 HEWHDZCIHUJOJU-UHFFFAOYSA-N 436.541 4.741 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C 1125552928 WXNJOPKZWJQDRO-UHFFFAOYSA-N 433.552 4.796 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)C(F)(F)c2ccc(Br)cc2)c1 1128568579 CEVAPRKYSGYNLB-UHFFFAOYSA-N 445.057 4.918 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(F)cc2I)C(F)(F)F)cc1 1128867078 RJIKCNCLFCVFBX-OAHLLOKOSA-N 448.153 4.872 30 10 IJEE C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)CCC(=O)N1CCC(c3ccccc3)=N1)c2C#N 1129334047 GDLVDMSTUMKSSD-CVEARBPZSA-N 434.565 4.661 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)NCc3cccc(Oc4ccccc4F)c3)C2)c(F)c1 1130716184 CKLDWSZJYZLIEE-LJQANCHMSA-N 433.458 4.771 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)C1 1131568212 ZGUNPQPYAVQARI-KRWDZBQOSA-N 444.984 4.520 30 10 IJEE C#CCN(CC1CC1)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1151195443 NZIBPMNODRYGAW-AREMUKBSSA-N 444.575 4.812 30 10 IJEE CCO[C@H]1C[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCCCC2 1167538302 BDJSCZSBPIKXMC-SFTDATJTSA-N 429.630 4.887 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)C1 1177758913 IMBCYRUCBADFCI-JOCHJYFZSA-N 430.573 4.822 30 10 IJEE C#CCN(Cc1ccc(Br)nc1)[C@@H]1CCOc2ccc(Br)cc21 1180291897 HPHWQTFFNKCGPM-MRXNPFEDSA-N 436.147 4.566 30 10 IJEE C=CCn1c(Sc2[nH]cnc3nc(Cl)cc2-3)nnc1-c1ccc(Br)cc1 1184695405 CAFHVXGKBISPSB-UHFFFAOYSA-N 447.749 4.921 30 10 IJEE C=CCN(C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1)[C@H](C)COC 1198631591 QVTLANDUIBXILN-CQSZACIVSA-N 449.910 4.795 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(-c3nc4cc(F)ccc4n3C(C)C)ccc2C)C1 1201154191 FSFVRCWRUXUKSH-OAQYLSRUSA-N 447.558 4.951 30 10 IJEE CC(C)(C)[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(F)cc1 1208375491 HIQDKFHLWWOTHB-QGZVFWFLSA-N 425.323 4.526 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cccc(OCc3ccccc3OC)c2C)cc1 1216410951 LFXMCOPFXNFOHV-UHFFFAOYSA-N 430.504 4.916 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1 1218049433 FHFIRTFKFOMDBY-UHFFFAOYSA-N 430.533 4.769 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Cl)cc1F 1222826582 RGPVKUJLKIFXIJ-SFHVURJKSA-N 428.813 4.732 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC 1224741351 JBBRRTCSGMVMFT-RUZDIDTESA-N 432.495 4.777 30 10 IJEE Cc1cccc(C)c1OC[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 1226395613 CHVLROLPNBBYQM-XMMPIXPASA-N 429.520 4.825 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 1251988275 HVCOUFKROOCQRH-QHCPKHFHSA-N 433.943 4.698 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)c1ccc(Cl)cc1F 1275497745 ITJYNUCBWBXKQG-HSZRJFAPSA-N 446.913 4.993 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCC[C@H]1C 1286272630 BJUQLWKVXKMGDH-GTQRCTGISA-N 428.989 4.822 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H](C)N1CCCCC1 1286452887 MLEROHMCQUNJHL-LJQANCHMSA-N 446.064 4.948 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccco1 1286497418 RWRIJAJIDVJMEF-MJGOQNOKSA-N 440.544 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccnc1)C(C)C 1286516616 HSPHKQKAACRCEP-GBXCKJPGSA-N 434.975 4.820 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)OC 1286519153 SAWLHHBSLCZOGY-IEGUWTFLSA-N 430.980 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(CN2CCCCC2)cc1 1286523182 QZBQKFXYGYAJMD-HHHXNRCGSA-N 433.644 4.893 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)c2ccccc2)CC1 1286662297 DYOVKBILIAMZSE-UHFFFAOYSA-N 436.629 4.563 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCn2cccn2)CC1 1286664394 WOOGLZXGKRRYBB-UHFFFAOYSA-N 448.615 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nc3ccccc3o2)CC1 1286672875 REWPOOFZJNHGGT-UHFFFAOYSA-N 436.604 4.937 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1286708213 QUIKJGSACFLIEA-RUYXUALKSA-N 445.405 4.843 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCNc1ccc(C(F)(F)F)cn1 1286724147 HSZWDGJRUHPDOE-UHFFFAOYSA-N 448.468 4.546 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccccc1Cl)N(C)C)C1CC1 1286735175 PQJQGVNXOKQDSH-HXUWFJFHSA-N 425.964 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1Cc1ccc(NC(C)=O)nc1 1286747223 FTIXYNWHPSIPIS-UHFFFAOYSA-N 444.564 4.601 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1286776787 ANZDIFLKGASFNX-FPOVZHCZSA-N 426.605 4.982 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286777178 IAONFTHCZIYHNL-QGZVFWFLSA-N 444.004 4.641 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2CC(C)(C)C2)C1 1286801829 IVJQCZPPVOWWGX-IBGZPJMESA-N 445.405 4.925 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)c1ccccn1 1286960006 BTQWLNGYUSJOGG-INIZCTEOSA-N 440.498 4.515 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCCCC1 1286962572 BXWXJMRQULQXRH-INIZCTEOSA-N 435.403 4.724 30 10 IJEE CC(C)(C)c1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCC#N)CC2CC2)n1 1286993157 DDQFCLFUGXVUDV-UHFFFAOYSA-N 445.596 4.749 30 10 IJEE C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C1 1291113229 ABKGHWMIMQDFSP-OAHLLOKOSA-N 426.446 4.515 30 10 IJEE C=C(CN(C)C)C(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1293462127 LQFLGJNDQGFRLG-FQEVSTJZSA-N 431.374 4.713 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 1293976465 NXSVTVIZTGDFDH-QWRGUYRKSA-N 441.903 4.765 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@@H](CO)Cc1cccc(Br)c1C 1297970744 WJGYJZMHURTGDS-INIZCTEOSA-N 434.399 4.617 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 1300373090 OIZGOOFAVGYXNJ-UHFFFAOYSA-N 436.531 4.982 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H](C)c1nccs1 1300391237 KHNSJFZFWRRXBZ-HNNXBMFYSA-N 431.512 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H]1CCCCN1CCC 1300813863 SMBPXJSARJKFAB-SHQCIBLASA-N 433.644 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](C)C1 1300897496 SDBFUTDFWNRXAD-KNKQGSTJSA-N 444.670 4.802 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(F)(F)C1 1300898280 WWLFLWJJPMOFES-YLJYHZDGSA-N 434.556 4.705 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1300936546 DHGAJALIPHSFBL-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1301154505 TZTXWWUIPJTPFH-QFIPXVFZSA-N 433.604 4.521 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301178898 UOHAVTZJRQRYAZ-ZWKOTPCHSA-N 445.405 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccc(Br)n1 1301280891 ZKTFEMNRXPLQBP-UHFFFAOYSA-N 436.716 4.566 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1301365753 XOQWWMOGOSKABN-NRFANRHFSA-N 441.645 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)c1ccsc1 1301381087 SCTVEFFJJKNVAR-DEOSSOPVSA-N 433.581 4.584 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1Cc1ccnc(C(F)(F)F)c1 1301410868 NAVKAQOJFFLBFI-UHFFFAOYSA-N 431.462 4.836 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1301434586 YQKGZLQKHUUHSG-ZDUSSCGKSA-N 449.422 4.757 30 10 IJEE C=CCn1c(Sc2ccnc(-c3ccc(OC)cc3)n2)nnc1-c1cccc(OC)c1 1306994670 BTMBGYDZCXOCEB-UHFFFAOYSA-N 431.521 4.757 30 10 IJEE C=CCn1c(SCCOc2ccccc2C(=O)OC)nnc1-c1ccc(Cl)cc1 1307250995 TXELHHXETVAKJS-UHFFFAOYSA-N 429.929 4.742 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2F)[C@H](C)O)cc1OCC 1308454535 HIRKCSVZLCDLHF-VBKZILBWSA-N 438.337 4.763 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F 1309083472 FRRMDHIKTKSGNU-UHFFFAOYSA-N 435.851 4.624 30 10 IJEE C#CCOc1cccc(NC(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c1 1310303197 OQJCWHTYHDUCSS-GOSISDBHSA-N 435.524 4.749 30 10 IJEE CC(C)(C)OC(=O)[C@](C)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 1312957664 IBXVJHKPDKQKQE-AREMUKBSSA-N 433.552 4.532 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@@H](C)C1 1314219251 COCZMCZNLSTEIG-CTNGQTDRSA-N 437.588 4.822 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C)cc2C)cc1C#N 1348629416 IVZBERXQAOKNEE-UHFFFAOYSA-N 447.495 4.634 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2c(F)ccc(C(F)(F)F)c2Br)cc1 1355009531 ZDBMOBAIKVKNGR-UHFFFAOYSA-N 445.210 4.775 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)cc1OC 1358468511 RCKDRXPXSDKNAB-FNORWQNLSA-N 446.431 4.843 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccc(F)c1 1359002062 MJIIZNUPFJKTKQ-UHFFFAOYSA-N 444.352 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1359004889 NNGYTRQRWLGMRW-NZQKXSOJSA-N 449.624 4.558 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1359121459 PWYNTLWEYBYUEQ-OALUTQOASA-N 436.478 4.693 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1359194076 OXJYRXRFXYFSOL-GOTSBHOMSA-N 431.584 4.951 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1359317020 AKWHATAODHWREQ-VAMGGRTRSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1359344245 QFCMGGMDABHYJV-FCHUYYIVSA-N 440.657 4.740 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)c1 1360224205 CNZUSRYSZWMWDQ-IBGZPJMESA-N 447.897 4.937 30 10 IJEE Cc1cc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)nn1-c1cccc(C(F)(F)F)c1 1360551944 DXDJTMGDSKRNLT-UHFFFAOYSA-N 436.397 4.509 30 10 IJEE C#CCN(C(=O)COc1cccc(Cl)c1C)[C@@H]1CCOc2ccc(Br)cc21 1360557051 LWOCAEHWACINOM-GOSISDBHSA-N 448.744 4.775 30 10 IJEE C#CCN(C(=O)Cc1cccc(Cl)c1F)[C@@H]1CCOc2ccc(Br)cc21 1360557085 MVIFZICZKMGIFM-QGZVFWFLSA-N 436.708 4.770 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 1436206253 QWMJUWCBEUOHKZ-UHFFFAOYSA-N 448.485 4.673 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1436651925 UZEIIPGSNLYOOT-MLGOLLRUSA-N 426.232 4.726 30 10 IJEE CCN(C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)[C@H](C)C#N 1438006701 DFJICPCGPMSDHE-OAHLLOKOSA-N 446.498 4.956 30 10 IJEE C#CC[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 1438151049 DLIPLLLRWREIPM-NUTRWHQKSA-N 439.559 4.556 30 10 IJEE C#CC[C@@]1(C(=O)NCCn2c3ccccc3c3ccccc32)CCCN1C(=O)OC(C)(C)C 1446654634 KZPYMDQCFLDBTN-MHZLTWQESA-N 445.563 4.704 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C)c1ccc(Cl)cc1 1450846635 JXUAZGASZZIRBG-LUGPXAIHSA-N 434.967 4.915 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1459423092 CYJPNIONKJUCDU-CWTRNNRKSA-N 438.742 4.919 30 10 IJEE Cc1cc(F)ccc1-c1ccc(C(=O)Nc2c(C)c(C#N)nn2-c2cccnc2)cc1F 1460300406 IFBFDNGPNQUMGN-UHFFFAOYSA-N 429.430 4.953 30 10 IJEE C#CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@H]1CCCc2ccccc21 1463005063 BOMSYASXDGBVAO-NRFANRHFSA-N 432.545 4.980 30 10 IJEE C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 1465212096 DMKVGAOLYKPBMO-HOYKHHGWSA-N 447.560 4.671 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 1465529544 PVOZEUWVEFKOIL-GJZGRUSLSA-N 431.524 4.750 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](C)Oc3ccc(Br)cc3)cc21 1467381208 CEIOMGHDGZXZQS-CQSZACIVSA-N 429.318 4.574 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1)C(C)C 1467491512 XBCUXLOEFNISKV-QHCPKHFHSA-N 432.572 4.549 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCC)C1CCN(C(=O)OC(C)(C)C)CC1 1470490429 HYXDKWOTOIDGAN-NRFANRHFSA-N 429.605 4.995 30 10 IJEE C#C[C@@H](NC(=O)NCC(CC)(CC)C(=O)OC(C)(C)C)c1ccc(Br)cc1 1478858906 ZXJHHUSCXXQEOQ-QGZVFWFLSA-N 437.378 4.571 30 10 IJEE CO[C@H](C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C#N)CC1 1503928890 BIGGUXYZIRNRIJ-OAHLLOKOSA-N 425.533 4.588 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1507575874 ULHNYRAKBYFCHX-PXNSSMCTSA-N 430.980 4.736 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1nc(C)cs1 1507602672 PIIVWKKJLVGFSF-GDBMZVCRSA-N 429.977 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1 1507795485 LIQFFHVQSHCUDP-GHTZIAJQSA-N 425.964 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)cc1OC 1507823596 LZZAUCBCNVHWFR-IFMALSPDSA-N 442.604 4.665 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@H](CC)C1 1507858066 BGUXXRHKOILISX-GXTWGEPZSA-N 443.748 4.603 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1507880541 KAYOELMGLXWDKL-TZIWHRDSSA-N 439.560 4.851 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](COCC)C1 1507943461 YNYVNKKKTRNHAJ-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1507952793 BVRMBGKKEONEMK-IFMALSPDSA-N 439.604 4.546 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)cn1 1508008652 IGMNUPUJTUGJKE-UHFFFAOYSA-N 440.935 4.830 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H]1C 1508162697 RQHBYFMRVDHQCZ-ZWKOTPCHSA-N 449.665 4.547 30 10 IJEE C=CCc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)cc(OC)c1OC 1516900305 SXCKULKOKHWHED-UHFFFAOYSA-N 448.544 4.861 30 10 IJEE C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1521996743 AWAFEXOKNUWEHP-RFAUZJTJSA-N 425.300 4.753 30 10 IJEE C#CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCN(C)C3)cc1 1522106989 BDFJSNRGUBOZLZ-UHFFFAOYSA-N 444.556 4.540 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1525056568 RZYYWAFQMVZQHI-LBPRGKRZSA-N 439.291 4.890 30 10 IJEE CS(C)(=O)=NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 1527570518 BARBKSVYPWUOPK-UHFFFAOYSA-N 447.516 4.665 30 10 IJEE Cc1cc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c(C#N)cc1N(C)C 1527779266 AYXUVOBUARNBQW-UHFFFAOYSA-N 429.549 4.953 30 10 IJEE C=CCN(C(=O)[C@H](C)OCCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1530619995 XNAZMONWZDNLKG-KRWDZBQOSA-N 437.521 4.885 30 10 IJEE Cn1c(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)nc2cc(Cl)c(Cl)cc21 1535689024 FSFCLMJIHRUCTJ-UHFFFAOYSA-N 446.313 4.746 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(N(C)C)cc1 1538984149 CAOPNPTUBOESGA-OALUTQOASA-N 447.652 4.898 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C(C)(C)C)cc1 1539006760 PVMOSAZEONOPDA-SFHVURJKSA-N 442.506 4.710 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1539172064 SSKUBOFBCOUDGU-IRXDYDNUSA-N 429.446 4.963 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCCN1CCCC 1539305825 QPZRIQZGGZVOQF-VWLOTQADSA-N 431.628 4.625 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1539655869 RPOJKJVPYNNGPR-GOSISDBHSA-N 427.593 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CCNc1nccc(C(F)(F)F)n1 1539659636 FRKJQMUWXGAZGP-UHFFFAOYSA-N 445.493 4.577 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@H]2c2ccc(OC)cc2OC)nnc1C(C)(C)C 1539759640 JTDQTPJJIRXXMI-FQEVSTJZSA-N 428.577 4.527 30 10 IJEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CCCC1 1540085330 UZOLEKWLNCMQQZ-UHFFFAOYSA-N 438.593 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1540153937 NYHIIGUGLOOBBM-QUCCMNQESA-N 443.389 4.867 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCC1(C)C 1540191418 KTQUDSOIABOPFS-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(SC)CCC2)C1 1540883911 GWOXZNKLEVGDGS-SFTDATJTSA-N 426.630 4.887 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2N(C)CCCC2(C)C)C1 1540885337 GSQSJSZZONEXLD-NHCUHLMSSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCCO2)C1 1540886458 DIOWKFUJHBOSRK-DLBZAZTESA-N 437.371 4.602 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(SCC)c2)C1 1540895585 VOOZKSGRRBLXCH-OAQYLSRUSA-N 426.630 4.952 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)[C@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 1543692960 VKKFEQPTEVYICK-JOCHJYFZSA-N 442.346 4.992 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)CCc2ccccc2N2CCOCC2)cc1F 1544843148 DLMQZEJSGFUOAG-UHFFFAOYSA-N 445.494 4.898 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](C)SC 1546040365 CRTPKZKYTZWGNA-HXOBKFHXSA-N 438.593 4.728 30 10 IJEE O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\N=C/c2cccnc2)N1Cc1ccco1 1554646290 ZDTQVSVONHYWQY-MESKWECESA-N 438.896 4.540 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccccc1Oc1cccc(Br)c1)C(=O)OC 1558381153 HVGWWFXBROOBCP-SFHVURJKSA-N 432.314 4.869 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 1558803120 PSKUYOLVVLJQMH-ZRDIBKRKSA-N 444.572 4.521 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@H]3[C@H]3CCCOC3)c2C#N)C1 1559939949 FFZWHWULDGVXJZ-UEXGIBASSA-N 443.657 4.990 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccc(Br)cc1C(F)(F)F)C2 1562234548 GFNQTLOZWFKOSC-UHFFFAOYSA-N 445.264 4.573 30 10 IJEE Cc1ccc(Oc2ccc(Cl)cc2CNC(=O)NCC2(C#N)CCOCC2)cc1C 1565277081 FNXRBOLDSQYHTL-UHFFFAOYSA-N 427.932 4.869 30 10 IJEE O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(C(F)(F)F)cnc1O 1566887652 FVKBWQKJXJSSSZ-LLVKDONJSA-N 432.242 4.858 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(C#N)c1Br)O[C@H](C)C2 1584220083 HIBOTGZHEJSUNN-PVUWLOKVSA-N 441.325 4.785 30 10 IJEE C=CC1(CC(=O)N[C@H](C(=O)OCC)c2c(C)nn(Cc3ccccc3)c2C)CCCCC1 1584818691 MWKYOAGNJXLDCN-DEOSSOPVSA-N 437.584 4.795 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1 1585279265 NHVMESLQSIZHNA-ZJSXRUAMSA-N 434.580 4.953 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nn(CCCCC)c(=O)c2ccccc12)c1ccc(F)c(F)c1 1585436974 ZNNAOPQLGDKWTI-OAQYLSRUSA-N 425.479 4.912 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1 1587315459 OEKNHDZRCKKWSS-OAQYLSRUSA-N 431.454 4.932 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC[C@@H](COC)C1 1587831179 KFYGVCDQRQGEDZ-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1nccs1 1588198258 MRBSNOGTXAZXSE-UHFFFAOYSA-N 447.564 4.780 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1589589574 KGROAVSMMJRCIF-LWYYNNOASA-N 431.625 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCOC(C)C 1589616025 ZVASGUBXWXJYBL-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1593691160 SKUQVCORQBBNLG-HLAWJBBLSA-N 446.542 4.629 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(F)(F)F)CC1 1593704460 WVSIHRUCTFGRLI-UHFFFAOYSA-N 428.886 4.970 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(CC)CCCC2)CC1 1594010196 ZSBGELVNEWBWNV-UHFFFAOYSA-N 442.007 4.988 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCN(CCC)C2)CC1 1594014275 QTFSANXZRQWJQF-GOTSBHOMSA-N 437.632 4.923 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCN2CC)CC1 1594430526 NLXREEFBOPBFEO-OAQYLSRUSA-N 444.023 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1594472484 FKWSMKJXAJUVCB-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOCC2(CCC2)C1 1594473743 ZCBGMPYMKGXFDB-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1594497654 LFHLYPIZQNUUDJ-TZIWHRDSSA-N 426.605 4.850 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1595871591 VBSMTBOCYUDHJP-HKUYNNGSSA-N 439.585 4.523 30 10 IJEE C=CCn1c(SCC(=O)NCc2csc(C)c2C)nnc1-c1ccc(Cl)cc1 1596440243 QBSANJNWSVWLMC-UHFFFAOYSA-N 433.002 4.871 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CCCS1 1611807349 ANCAHDLXNYTERM-PWHSHALESA-N 431.650 4.612 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1611857023 FJURGUWRHCQNNX-OAHLLOKOSA-N 429.977 4.719 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCS1 1613250749 ACVAMLQLUWOEMM-LAUBAEHRSA-N 425.602 4.607 30 10 IJEE CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1613463562 BOZNCAINPXJNBP-RQTOMXEWSA-N 440.611 4.628 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)o1 1614431800 DZWUJICDXAPLMY-UHFFFAOYSA-N 432.553 4.812 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1I 1617458824 OBBWWHUXDPDJCO-ABAIWWIYSA-N 448.142 4.918 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1618325861 UDSKXUDCZFWGCU-MJGOQNOKSA-N 442.556 4.536 30 10 IJEE Cc1c(S(=O)(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)sc2ccc(C#N)cc12 1621965411 BTEVMCQYCQTOEZ-HXUWFJFHSA-N 446.569 4.601 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc(OCC)c(Br)c1)c1ccc(F)c(F)c1 1622047192 LUJXJCUXTVAEMY-GOSISDBHSA-N 446.313 4.722 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)cc2C1=O 1626109032 NIOHKYQVPWRAIY-LJQANCHMSA-N 429.303 4.753 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Br)cc1 1636563157 UFOSWSKDCKJEAN-FQEVSTJZSA-N 439.309 4.834 30 10 IJEE C=CCn1c(SCC(=O)N(CCC)CCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1643337851 GFUUVIIRTIUIEZ-HNNXBMFYSA-N 433.643 4.510 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br)c1ccccc1 1643574399 IKNRLPAEIIJYGC-RBUKOAKNSA-N 443.341 4.506 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 1645353759 OUKKMLHNKMZSQO-HTAPYJJXSA-N 430.545 4.800 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1OCC 1651094525 RDRCEDQQWSFFQE-UYAOXDASSA-N 447.373 4.818 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1652306585 XINWOCRXBLLTLQ-SIKLNZKXSA-N 440.971 4.845 30 10 IJEE C#C[C@H](NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)c1ccc(Cl)cc1F 1655294782 ATMDPDXNIZDMKZ-IBGZPJMESA-N 441.858 4.662 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)c2cccs2)ccc1C(F)(F)F 1660186195 AQPBSKSDSXAAMZ-GOSISDBHSA-N 436.480 4.901 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)[C@H]3c4cc(Cl)cc(Cl)c4C[C@H]3O)cc2n1 1664853146 BTSHVLZUNFCIHR-UXHICEINSA-N 431.323 4.651 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 1666272854 DAPJWGFXSSLMTI-CYBMUJFWSA-N 436.287 4.852 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1 1667009394 JPQKAWPOWYXIEV-UHFFFAOYSA-N 434.496 4.591 30 10 IJEE CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1667907702 HACYUCCOSJRKAD-HXUWFJFHSA-N 436.512 4.825 30 10 IJEE CCOc1ccc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1OCC 1668478468 BDSMFSLJWQDDOV-UHFFFAOYSA-N 446.507 4.907 30 10 IJEE COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1668868745 GQFCKIYLJKGANW-SFHVURJKSA-N 434.970 4.743 30 10 IJEE C=CCC1(CNC(=O)N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)CCCC1 1672663045 YPCQBMACNPRZAW-UHFFFAOYSA-N 429.605 4.902 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1675681232 AVUPTJKYJXCJLU-DEOSSOPVSA-N 444.485 4.901 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1676202430 ZQQRURCYUOSVGB-JOCHJYFZSA-N 432.955 4.933 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](C)Cc1ccc(OCC)cc1)c1ccc(Br)cc1 1683158424 JNBSIANJBSFVCY-IERDGZPVSA-N 429.358 4.700 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 1683266330 AUEHEEAQGMSDSE-OAHLLOKOSA-N 437.300 4.793 30 10 IJEE C#C[C@@H](NC(=O)NCCc1cc(Cl)cc(Br)c1)c1ccc(Cl)cc1 1683507891 JTDLKUNZKTWMJY-QGZVFWFLSA-N 426.141 4.972 30 10 IJEE C#C[C@H](NC(=O)NCc1sc(C)cc1Br)c1ccc(Br)cc1 1683511774 BJYIYXKTRSVJDY-AWEZNQCLSA-N 442.176 4.755 30 10 IJEE C=CCCC1(CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2C)CCCC1 1683984635 FQQSWHHNRDUMMH-GOSISDBHSA-N 437.422 4.734 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCCc1cc(F)cc(OCc2ccccc2)c1 1684367842 ZJLFKAYOWBUYMN-UHFFFAOYSA-N 434.486 4.931 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1)c1ccc(F)c(F)c1 1686173977 TYLHABUMONHIHV-FNXXIHLHSA-N 430.499 4.753 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1nc2ccccc2s1 1689942626 ACPNKXNHSIJSNE-DYESRHJHSA-N 437.613 4.856 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C(C)C)N1CCCC1 1690063766 OWHUNMVRQLLJDF-FPOVZHCZSA-N 439.673 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC2CCCCC2)CC1 1690249341 XGHNIFWBHPAVGK-LADGPHEKSA-N 443.680 4.550 30 10 IJEE C=C(Cl)Cn1c(N2CCC(c3ccsc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690359190 VIIJTCUISBRWQY-NRFANRHFSA-N 437.009 4.517 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1Cc1ccsc1 1690555809 FBDZOVKUQQRPGN-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@H](c1ccco1)N1CCCCC1 1690571768 IKZYFWCZVIGVGF-JOCHJYFZSA-N 437.563 4.992 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2nc3cc(Cl)ccc3s2)C1 1690686691 RYHOOFCPZCKLOS-HNNXBMFYSA-N 431.993 4.668 30 10 IJEE CN(Cc1ccoc1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(C)(C)C)cs1 1696715293 GBRGOGWICPTYDA-UHFFFAOYSA-N 432.553 4.848 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1(C(C)C)CC1 1705593451 BIVVSUCXACDQKY-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H](F)c1ccc(Br)cc1 1705597207 YUESNSAGVLTQPQ-HXUWFJFHSA-N 443.364 4.872 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1705604060 DNFPYHKIONLFIS-MRXNPFEDSA-N 441.576 4.819 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1ccnc(SC)c1 1705619489 RZUVDPZBHFGPFZ-UHFFFAOYSA-N 447.539 4.791 30 10 IJEE C=C(Br)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(CC)cc1 1705692727 QXFROTMFFOGPDK-INIZCTEOSA-N 449.303 4.936 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)c1cc(OC)cc(OC)c1 1705697934 YXRWXTRRUQDOQR-VGSWGCGISA-N 438.528 4.613 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2OC(F)(F)F)CC1 1705770678 PWBWSDYLHSFGJT-UHFFFAOYSA-N 449.502 4.737 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OCCC)nc2)CC1 1705772884 YPJLRVRXWSMYKN-UHFFFAOYSA-N 433.556 4.554 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(O)(CCC)CCC)CC1 1705782092 OUELSTGEXWXXNQ-QFIPXVFZSA-N 440.588 4.524 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1705941006 WCUFDBLSXLSRMY-IRXDYDNUSA-N 433.419 4.719 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705942447 SIZGHZQXLOTKHH-QZTJIDSGSA-N 425.602 4.529 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(OC)CCC(C)CC1 1722301826 CVFVNTBXCWFONM-FRIYVGAWSA-N 430.980 4.564 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)CCc1cccs1 1722325200 GEEXLJNXLGYYQQ-UHFFFAOYSA-N 446.418 4.590 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc2c(n1)CCCC2 1722391770 UMSSCHCWDQBIPP-VWLOTQADSA-N 437.591 4.605 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1nc(C)c(C)s1 1722405149 KSKZEODUBRPTML-OAHLLOKOSA-N 439.654 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1 1722495422 RUAYFSSCDNBPOR-VSKRKVRLSA-N 437.613 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(F)cc1 1722504679 HIZMACRKIPLYBG-NZQKXSOJSA-N 435.547 4.795 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1)c1ccccc1 1722539844 AUYDHJVGEBJVFR-QHCPKHFHSA-N 435.616 4.609 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1722559411 VSWWXRVXKCOTKZ-RTWAWAEBSA-N 437.588 4.509 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCCCC2)CC1 1722564392 PECPKMOMYGMMPJ-FQEVSTJZSA-N 427.568 4.590 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722596883 AXAQGUKZENUZCM-ROUUACIJSA-N 434.382 4.540 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C2CCOCC2)C1 1722611715 AOBYRZGEITZVIZ-GOSISDBHSA-N 430.980 4.826 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1722630112 VUNSKVUQFPOBLZ-UHFFFAOYSA-N 425.621 4.565 30 10 IJEE C=CCN(c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1722648087 ILWGOYXQKQACPU-QGZVFWFLSA-N 448.571 4.561 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1Cc1ncccc1N(C)C 1722659913 HCRLEEZPNUIDSE-UHFFFAOYSA-N 434.563 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC=CO1 1722661320 APYLAOSGUFVJMI-LJQANCHMSA-N 437.525 4.800 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1Cl 1722691559 VFCUIOANEKDSHQ-SFHVURJKSA-N 431.968 4.826 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nc2c(s1)CCCC2 1740661676 HOZPUCFUNYUQSO-FQEVSTJZSA-N 433.625 4.858 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC2(CCOCC2)C1 1740779491 JJGXMYVKXAKXMN-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=C(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CCC)c1ccccc1 1740798297 FOVHCJAMEVRMBJ-OAQYLSRUSA-N 445.615 4.790 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1740848951 VLKOHJKBPBYZSG-DNVJHFABSA-N 438.616 4.988 30 10 IJEE C=CCCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C#N)C1 1740860571 ILPUIXMWZFIIDO-LJQANCHMSA-N 437.544 4.898 30 10 IJEE C=CCCCCn1c(N2CCC[C@H]2c2cccc(F)c2)nnc1[C@@]1(OCC)CCOC1 1740866320 ADBLJEZHDTZQPR-XUZZJYLKSA-N 428.552 4.767 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1740878607 PGYUJAHZPLJOAI-UHFFFAOYSA-N 425.596 4.828 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1740897225 ZNILZZNKEXQPMX-GGAORHGYSA-N 430.600 4.571 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1c(C)nn(C)c1C 1740921606 BRKKEZFOBNWGLK-UHFFFAOYSA-N 436.560 4.737 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC=CCC2)C1 1740975098 SAQFSJXPICTRMK-XLIONFOSSA-N 430.499 4.684 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(c2ccsc2)CC1 1748758131 SGBBSQUZWAXIMO-UHFFFAOYSA-N 434.609 4.931 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCOC1CCCCC1 1748773926 MEKMUATXJCWHHA-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1748869069 SIHULQZSIJNITF-NLFFAJNJSA-N 438.019 4.572 30 10 IJEE C#CCSCCn1c(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)nnc1C(C)(C)C 1749049121 XVGXJEBESSNIJK-UHFFFAOYSA-N 449.624 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC=C(COC)CC1 1749123844 IECVSDUUJLXOET-UWJYYQICSA-N 446.954 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC=CO1 1749148707 CQCYYLYKWMNKQQ-MRXNPFEDSA-N 435.341 4.942 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749281534 GIHFYHPWEPFHST-GOSISDBHSA-N 446.064 4.942 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2nc(C)c(C)s2)CC1 1749311299 LXSPZHAFYZFKKN-UHFFFAOYSA-N 441.626 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1749354173 KOSZMNKYCOKEPY-HXUWFJFHSA-N 446.555 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H]1CCCCO1 1749355660 MXXBSKQCIXCCAR-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749357075 IPKQNMKKOOGWBG-MWTRTKDXSA-N 448.970 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749370390 IIYTVEHOBHRKNY-OAQYLSRUSA-N 426.605 4.731 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(c2cnn(C)c2)CC1)c1ccccc1 1749385688 STRHKZWDTRONJT-QHCPKHFHSA-N 432.616 4.954 30 10 IJEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1749437653 KYTFQXZFYLGVBR-SFHVURJKSA-N 432.515 4.704 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2nc(C)cs2)C1 1749701417 UDWBEWCBPANJFL-FQEVSTJZSA-N 437.613 4.837 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CCc1ccc(Br)s1 1760236049 HDTAZYMVVZZQME-UHFFFAOYSA-N 447.377 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccccc1C(F)(F)F 1760293101 NXUJODUVCBXJPH-JOCHJYFZSA-N 425.458 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1760293268 STBGLYYFEXYQEH-JOCHJYFZSA-N 425.458 4.594 30 10 IJEE C=C(C)COCCn1c(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)nnc1C(C)(C)C 1760361615 OMYIRJCHLIEENQ-FCHUYYIVSA-N 426.605 4.772 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCCC2(C)C)CC1 1760385766 XRWHXSNGKLHMPS-HSZRJFAPSA-N 430.980 4.705 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C)CC1)c1ccccc1 1760417377 BUMJNEIYRIASFI-OFNKIYASSA-N 445.615 4.577 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C)c(OC)c1 1760501397 OUWVKIZTPLXGED-JOCHJYFZSA-N 436.556 4.713 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(C)C)CC2)cc1 1760531448 PCJIJGRRXVCDGJ-UHFFFAOYSA-N 448.615 4.625 30 10 IJEE CC(C)(C)OC1CC(CCn2c(-c3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1 1760794515 HKEDLYBTAOATCB-PVWAMWICSA-N 429.515 4.510 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC1(O)CCC1 1761357597 GIRUNLUVAPVNGT-INIZCTEOSA-N 439.560 4.856 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 1763326673 CYRNIEGCAZJFBL-DEOSSOPVSA-N 434.632 4.954 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1764921532 ICBCXTRXTCPMJO-AVRDEDQJSA-N 436.629 4.994 30 10 IJEE COc1ccccc1/C=C1\SC(=NN=Cc2ccc(F)cc2)N(Cc2ccco2)C1=O 1772758001 NRUHGZAGUKUFTK-JWZGDWNOSA-N 435.480 4.934 30 10 IJEE Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)c3ccccn23)cc1Cl 1858245485 ZOCXEBFYDFYLEM-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862480003 VOWVKJGQCPWKHR-ODOSVJCGSA-N 447.531 4.939 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482955 WSRNVKYFGNBSSA-HXUWFJFHSA-N 446.469 4.544 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1O 1862505889 HBXAWRCNMYILAQ-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(CC)cc2)cc1 1862529200 CNKTYCSNPKZUCR-DEOSSOPVSA-N 443.547 4.677 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 1862579876 AUQFLLRQJGEZHN-IBGZPJMESA-N 434.319 4.734 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862650811 DYYXAWJHOMIMRT-HXOBKFHXSA-N 449.453 4.875 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 1862714324 AKIQDKMLMQHIJP-XMMPIXPASA-N 446.522 4.899 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(F)c(C)c2)C1=O 1863791626 ADQIUCVYLZKQCN-UHFFFAOYSA-N 431.596 4.506 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2c[nH]c3ccccc23)C1=O 1863818065 WDXBJQYHSNNBRT-UHFFFAOYSA-N 438.616 4.540 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccco1 1864458674 UCGYHOYYFWRRJF-FQEVSTJZSA-N 428.577 4.756 30 10 IJEE N#Cc1cc(Br)c(NC(=O)CCCCCCCC(=O)O)c(Br)c1 1866116479 HWNFXORBQYSPHX-UHFFFAOYSA-N 446.139 4.837 30 10 IJEE CCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867010017 BHBPFKHAZALDHK-RPWUZVMVSA-N 433.552 4.764 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(Cl)cc2)cc1 1867369254 IIYFCANTMGXPQW-DHIUTWEWSA-N 449.913 4.510 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc(C(F)(F)F)cc2)cc1 1870146684 DOSZGKMTYCQCGD-UHFFFAOYSA-N 443.429 4.518 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc3ccccc23)c(=O)cc1CN(CC)CCCC 1870700479 IEJYCVFNEUYKIH-UHFFFAOYSA-N 447.579 4.827 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(C2CCC4(CC2)OCCO4)CO3)C1=O 1871348180 WLIUWVBPSLXNNX-NDENLUEZSA-N 439.533 4.510 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)cc(C)c3C2=O)c1 1871365194 QTOVCZULZKUULO-FMCGGJTJSA-N 443.455 4.797 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871392786 SQIYSCYBFMOUIY-STZFKDTASA-N 443.927 4.827 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4nnc(CC)s4)ccc3C2=O)cc1 1871443827 HUJMEJLIORHEOF-GQFJFNLSSA-N 449.532 4.685 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871448698 WOGPRNJTHHTTDY-GLFIFPSUSA-N 444.443 4.925 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872261733 MZDADDHBGXRMPO-HXUWFJFHSA-N 438.952 4.628 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872460693 LHSXRJCYDPKAKY-OAQYLSRUSA-N 434.989 4.859 30 10 IJEE CCCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnc(C)cn3)n2)cc1OCCC 1872766626 IVEIMXYENFLMKR-KRWDZBQOSA-N 436.537 4.976 30 10 IJEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872779792 RHCMBLANFZMGJE-NKPGBKMFSA-N 426.444 4.995 30 10 IJEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCOC)C1=O 1873095580 GQORDDWNAXLDOH-UHFFFAOYSA-N 427.372 4.670 30 10 IJEE N#Cc1ccc(Nc2[nH]c(=NCCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)cc1 1873478952 DMQBJURPTMVHNS-UHFFFAOYSA-N 449.493 4.646 30 10 IJEE Cc1ccc(-n2ncc(N/N=C/c3ccccc3OC(C)C)c(Br)c2=O)cc1 1873526111 NDTUVKOKRZJUQV-FSJBWODESA-N 441.329 4.537 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCCCN(C)C)ncnc21 1873626755 PFXKLOBZNWVOMN-UHFFFAOYSA-N 434.588 4.531 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc(OC)c1O 1874258712 FECPGUIYWXQODR-BUVRLJJBSA-N 440.569 4.908 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccccc1OC(C)C 1874293066 XHVOOTWPAZAPPV-OEAKJJBVSA-N 426.542 4.647 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1cccn1C 1874314435 SWLHKKAAQADBFE-WGOQTCKBSA-N 449.555 4.724 30 10 IJEE CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874315287 LJHVELFUNSMEFH-LPYMAVHISA-N 449.349 4.795 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc(Cl)c1 1874438032 GDJMUKLDAKBBQF-SSDVNMTOSA-N 449.005 4.590 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1O 1874445795 LBPXPVHNILMWKA-AOOMUMSASA-N 444.944 4.672 30 10 IJEE CCCOC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cl)cc1Cl 1874463688 WLCNGEOCPQEGER-QPSGOUHRSA-N 441.262 4.531 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2F)cc1 1874483572 BVUGZXKPPJWCKM-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(OC)c1 1874502485 KCOYTUZHPKVXEP-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCC)nnc2SCC(=O)OCC(C)C)cc1 1874510845 YDCGXIFKQKESDR-OEAKJJBVSA-N 432.590 4.583 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1c(F)cccc1Cl 1874525400 LKLIZVIBSHJWEO-BHGWPJFGSA-N 445.951 4.863 30 10 IJEE CCCOc1cccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccc(CC)cc2)c1 1874530528 NWJRMKWJFHHUFK-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692456 HWDOYRDDMSADOZ-JXMROGBWSA-N 439.370 4.754 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)cc1 1875145594 OJGQMOFWQWFMCG-MKMNVTDBSA-N 448.471 4.593 30 10 IJEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1875179588 QYNBIKFOWYXVPJ-AATRIKPKSA-N 439.291 4.767 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](Cc1nccs1)NC(=O)OC(C)(C)C 2004746884 FMEGYFRSWNRAAV-IRLDBZIGSA-N 445.629 4.720 30 10 IJEE C#CC[C@H](C[C@@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2020079052 QNSMJAVTYZMTGP-PLXFJCCSSA-N 426.601 4.597 30 10 IJEE C=CCC1([C@@H](O)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2028174005 HJJSMNCVUWUJRF-INIZCTEOSA-N 430.770 4.819 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Br)cc1)c1ccco1 2033814593 WTRVTUYRXOTGRQ-KRWDZBQOSA-N 444.306 4.882 30 10 IJEE CC1=CC(=O)[C@H](C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(=O)O1 2040458662 YYHYZBVZMKVALE-DEOSSOPVSA-N 438.439 4.514 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)cs2)CCN(C(=O)OC(C)(C)C)CC1 2054384027 WYGVWYFEPWZPOK-UHFFFAOYSA-N 429.380 4.586 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)NCCC 2065379311 AFDMCMJVXJZKTF-XZOQPEGZSA-N 446.632 4.932 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1F 2102880364 OBHZHFGCJAOZAP-ROUUACIJSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1cc(Br)cc(F)c1C#N 2107452592 ZSLZBWCFMBQKSS-WBMJQRKESA-N 426.330 4.955 30 10 IJEE C[C@H]1CN(c2ccc(C#N)c(Br)c2F)C(C)(C)CN1C(=O)OC(C)(C)C 2118150177 BLGLFEGGRHRTLP-LBPRGKRZSA-N 426.330 4.684 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1Nc1ccc(Br)cc1C#N 2162302927 RKVPSYHEWMUMIH-OALUTQOASA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(C#N)cc2Br)cc1 2181140339 ZJTWOEDATZTGEJ-UHFFFAOYSA-N 430.302 4.849 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(C#N)cc2Br)CCC1(C)C 2193420436 FCXYZJOTAXFLPU-CQSZACIVSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1cc(Br)c(C#N)cc1F 2234599258 NTLDLXDWEMSKJU-GFCCVEGCSA-N 448.283 4.907 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2235725802 OIOWJTJELXOXFT-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2235728121 QFCOXFGVRYZNTP-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@H](O)C#Cc3ccccc3Br)cc21 2235731741 MHDQLFNLJLRLAR-HXUWFJFHSA-N 428.326 4.832 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)C(C)C 2235748827 DBQGHOMEUXBKTH-RTBURBONSA-N 437.422 4.966 30 10 IJEE C=C(C[C@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)OC 2237410172 NDCNCOHHOQASKR-OALUTQOASA-N 441.410 4.803 30 10 IJEE CC1(C)OB(c2c(F)cccc2C(=O)N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241480417 IRIRKXIMSOJTOC-UHFFFAOYSA-N 445.343 4.968 30 10 IJEE CC1(NC(=O)OCc2ccccc2)CCC(O)(C#Cc2ccccc2Br)CC1 2258946785 YBZKRKPCXCVOQS-UHFFFAOYSA-N 442.353 4.791 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccccc2NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)CC1 2267498968 NVSJAUUOKYWBIF-UHFFFAOYSA-N 442.365 4.765 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CN(CC1CCCCC1)C(=O)OC(C)(C)C 2272416796 VPTODWSHTXDJLH-UHFFFAOYSA-N 429.399 4.727 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2cccc(Br)c2)cs1 2278736847 FFLXRAPRWWSYSD-LRDDRELGSA-N 437.359 4.576 30 10 IJEE COc1cc([C@H](N)C#Cc2cccc(Br)c2)ccc1NC(=O)OC(C)(C)C 2296215671 COAAQGZWVWOXEA-QGZVFWFLSA-N 431.330 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296272464 JQAKVCPCPQKWJR-IBGZPJMESA-N 436.390 4.835 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2296294872 YLPXLDUXYXZTPI-RTBURBONSA-N 435.406 4.718 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 2296309290 SYLUUOLAZWFHKN-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN3CCC(C)CC3)C1=O)cn2C 2296593658 CEUFLGPMAPDAPH-UHFFFAOYSA-N 432.520 4.741 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc([N+](=O)[O-])c1O 2297366939 OJGDLVSMHUCHBH-UHFFFAOYSA-N 433.873 4.586 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317305650 FORKSMNSSCSNBM-MSOLQXFVSA-N 429.370 4.584 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(Cl)cc2)cc1OCC 2322034978 ZPARSZLDYWHKDM-UHFFFAOYSA-N 430.961 4.881 30 10 IJEE CCc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc5c(c3)OCO5)CO4)C2=O)cc1 2322099143 MRMYMHDZBAKBQL-UHFFFAOYSA-N 441.483 4.946 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 2323310490 WNCJJSRSBGNJKY-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CC(C)Oc1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1Br 2323557572 BMHWJOAVNYDSJC-UHFFFAOYSA-N 447.358 4.578 30 10 IJEE CCN(CC)C(=O)COc1c(Br)cc(C=CC(=O)c2ccccc2)cc1OC 2323813695 STRJYWMMDYZSLB-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324405533 MCXMUDGLWWOFAT-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)c1 2324745284 AKFUKHCMTXKTCS-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)ccc2C1=O 2325009149 VDWGBOAUVBFQQY-SFHVURJKSA-N 443.499 4.958 30 10 IJEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2325477297 YNRIRBIUHUUQOD-UHFFFAOYSA-N 443.455 4.748 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2N=Cc2cccc(F)c2)c(C(C)(C)C)c1 2325906519 ZXPGESLRRCMRCJ-UHFFFAOYSA-N 442.560 4.569 30 10 IJEE OCCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2327679184 SZORPFNEUKULKM-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330620203 CNJUPNSAESIZAY-UHFFFAOYSA-N 432.388 4.547 30 10 IJEE OCCCSc1nnc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2330687371 IPDGVOPCUBYFML-UHFFFAOYSA-N 444.560 4.881 30 10 IJEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCc2nc(O)c3ccccc3n2)c1 2331464549 QCLVKMSJUKLTJE-UHFFFAOYSA-N 432.553 4.608 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCC)nnc2SCC(=O)OCC(C)C)cc1 2331661665 YDCGXIFKQKESDR-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2)nnc1C1CC1 2331728773 HFTFKUQTJFDVPI-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(F)cc2Br)OC1(C)C 2339395084 ZCHQNHFLXTZRQB-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C[C@@H]1C[C@H]1N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339599994 JSPXYHXAEZMSSE-FEFOKTNTSA-N 444.381 4.751 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360197264 IZPIBGLBWWOISR-VNTMZGSJSA-N 433.390 4.567 30 10 IJEE CN[C@H](C#C[C@H]1CC1(C)C)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2365083224 OPWUPYYULQEVMG-UHOSZYNNSA-N 435.406 4.522 30 10 IJEE Cc1cc(CNCc2scc(C)c2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369692596 XRRXEFLBBKGSND-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE C=CCN(CC(=C)Br)[C@@](C)(C(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2373999540 FSOPGRWFWLATEL-HXUWFJFHSA-N 439.350 4.730 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1nnc(-c2ccc(C)cc2)o1 31613056 ROXVVKVQWDTVST-UHFFFAOYSA-N 437.500 4.833 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c(OC)c1 34955424 VSCRORQYYVAEMP-RVDMUPIBSA-N 448.471 4.836 30 10 IJEE CC[C@@H](C)c1ccc(N/C(=N\C(=O)c2ccc(NC(C)=O)cc2)NCc2ccncc2)cc1 35481066 YKYREVNGHXPLRK-GOSISDBHSA-N 443.551 4.952 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccccc1 36805847 YYBYTKUZGRWZCD-IAGOWNOFSA-N 440.544 4.540 30 10 IJEE C=C(Br)Cn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 38587012 XOWLSKFERIPYCZ-INIZCTEOSA-N 440.341 4.864 30 10 IJEE Cc1ccc(N/C(=N/C(=O)c2ccc(Br)cc2)NCc2ccncc2)cc1C 45940323 BVPZGJDCDIMNIG-UHFFFAOYSA-N 437.341 4.859 30 10 IJEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C(/C)c3ccc4ccccc4c3)n2)cc1 59021951 NJOAZTLIWAJKAZ-YSMPRRRNSA-N 446.536 4.533 30 10 IJEE CCOc1ccc(S(=O)(=O)/N=C2\C=C(Nc3cccc(C)c3)C(=O)c3ccccc32)cc1 103746370 ZSOVKEYNFIXWCW-SLEBQGDGSA-N 446.528 4.764 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)cc2)c1 169958968 ZOGGJCYAAIAMDI-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)c(C)c1 169964361 LVHZMKOIGKVDRI-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC(=O)O)cc3)[C@@H]2c2ccccc2)cc1 170052971 YDAQBZJUNTULCG-XMMPIXPASA-N 441.483 4.659 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccco2)cc1 170067168 VSDRPGYXHATFAD-QHCPKHFHSA-N 445.471 4.910 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)cc1OC 170141624 XYPWPJRGHOGNAJ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccs2)cc1 170160400 YWVPUNLBWQKBKF-NRFANRHFSA-N 435.501 4.944 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(OCC(C)C)cc1 170167513 QWFRWLGYUHPTLH-LJQANCHMSA-N 428.554 4.783 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccn1 170169743 ZVHYIFMHALJYPK-NRFANRHFSA-N 432.451 4.629 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)c(C)c1 170259414 ZEBONEBNRUTNPI-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCOC)cc1 170266888 CAPIYYMZWLVLTL-NRFANRHFSA-N 443.927 4.526 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccccc1C 170276994 MHHPVUNHMRWDFM-FQEVSTJZSA-N 429.900 4.654 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccco1)c1ccc2ccccc2c1 170281424 SJTLDIPADRBVSP-QHCPKHFHSA-N 439.423 4.944 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)ccc1Cl 170281534 ZASZKZCYAHKTAO-LJQANCHMSA-N 427.815 4.864 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)c1 170297201 HXFGKNBSWDMBKC-OSPHWJPCSA-N 443.499 4.998 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(F)cc1 170314057 TURGXFVKCXAOPQ-HXUWFJFHSA-N 435.476 4.913 30 10 IJEE CCOC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)cc1 170372032 JLJSKHSYVIRGIY-JOCHJYFZSA-N 447.512 4.637 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 170415010 GOENQKPVYMYENO-NRFANRHFSA-N 425.525 4.971 30 10 IJEE C=CCn1c(-c2sc(NC(=O)c3cc4c(C)cc(F)cc4[nH]3)nc2C)n[nH]c1=S 303643184 IPWIBJJRUHHASP-UHFFFAOYSA-N 428.518 4.740 30 10 IJEE Cc1cc(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)ccc1C#CCCO 390677249 VYOJHNRMLOLEQO-UHFFFAOYSA-N 440.587 4.551 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 460783592 PIKHUAPKNJEROL-HJOGWXRNSA-N 448.567 4.878 30 10 IJEE Cc1occc1C(=O)NC1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 479674313 OBPGBCYKVOHNAA-UHFFFAOYSA-N 445.544 4.646 30 10 IJEE N#Cc1cc2c(nc1NC(=O)CCc1nc3cc(Br)ccc3s1)CCCC2 484162792 KPCDYBHXQUNTAC-UHFFFAOYSA-N 441.354 4.776 30 10 IJEE Cc1c(C#N)c(NC(=O)CSc2ccc(S(C)(=O)=O)cc2)n(C2CCCCC2)c1C 504349112 FHMRXEQDRXATOY-UHFFFAOYSA-N 445.610 4.616 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](COCc2ccccc2)C1 508904383 TXIQGPIYWSKUFD-VJTSUQJLSA-N 444.579 4.752 30 10 IJEE CC(=O)c1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 526635886 CGZPIXPWZREHIN-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CCN(Cc1ccccc1)C1=C(Sc2ccccc2)C(=O)N(c2ccccc2C#N)C1=O 526683228 QSFAJEGNGUXISI-UHFFFAOYSA-N 439.540 4.957 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@H](COC)C1 549220101 QVIIUXQKJQYPMM-FQEVSTJZSA-N 436.531 4.712 30 10 IJEE CCCCN(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 558923083 RWAOGAABYKARRM-UHFFFAOYSA-N 442.611 4.813 30 10 IJEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc3cccnc23)cc1 586253058 SFEPHCSZMNQVJP-UHFFFAOYSA-N 443.528 4.901 30 10 IJEE COc1ccc(Br)cc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 610167532 HQLCTDNKZXVXLM-SNVBAGLBSA-N 437.384 4.999 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)cn2)c1 619558026 HSYCNNNVNXCDSO-BJKOFHAPSA-N 448.482 4.510 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ncc(Br)cc1Br 698946362 QRTXZBNIJJFILG-LBPRGKRZSA-N 431.128 4.594 30 10 IJEE COc1cccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3cc(Cl)cc(Cl)c3)S2)c1 725389067 ZBZONPDIOQYHDE-INIZCTEOSA-N 438.336 4.592 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 780381502 KXMPLLZIIZBPOH-HNNXBMFYSA-N 426.505 4.529 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(=O)OCC)cc2)[n+]2cccc(C)c2)c1 783959861 BLBMFWVOLQJGIO-UHFFFAOYSA-O 443.548 4.764 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 802569671 YREFFAMDQPBVFJ-INIZCTEOSA-N 431.968 4.526 30 10 IJEE C[C@@H]1Oc2ccc(/C(=N/OCc3ccc(Br)cc3F)C3CC3)cc2N(C)C1=O 821229025 VAUKKRXCCNXXCM-WWGBIBCGSA-N 447.304 4.663 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3cccnc3)n2)cc1 1083993120 GEXLBXVTQQMROB-OAHLLOKOSA-N 437.573 4.670 30 10 IJEE CCNC(=S)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 1084656392 VNDPAMBXAOOCCX-UHFFFAOYSA-N 426.369 4.789 30 10 IJEE C=CCc1ccc(OC(=O)[C@H](C)Sc2ccccc2S(=O)(=O)CCC)c(OC)c1 1124175682 IEHFXZUNLWGXID-INIZCTEOSA-N 434.579 4.694 30 10 IJEE COc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 1125464781 AHQFFPVLXGOICB-BTYIYWSLSA-N 443.906 4.686 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1 1125714072 SXNNVHJLSVABSN-UHFFFAOYSA-N 448.429 4.598 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1cc(-c2ccccc2)c(C)n1 1125737231 YLDFVFURMJBOSX-UHFFFAOYSA-N 442.332 4.975 30 10 IJEE C#CCN(C(=O)[C@@H]1COc2cc(C)c(C)cc21)[C@@H]1CCOc2ccc(Br)cc21 1126230517 ZJIGRUYNSXTXDM-WOJBJXKFSA-N 440.337 4.528 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F 1136763626 AJEKAUVPJHRMBU-VUCTXSBTSA-N 431.512 4.930 30 10 IJEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1140140862 AKGHDNDMWZBBOY-QHCPKHFHSA-N 449.551 4.610 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)cc1OC 1149256302 AGJUCCQQGKCVHY-UHFFFAOYSA-N 447.510 4.876 30 10 IJEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)c(Br)c1F 1164371707 HGBQNKOPQISCDZ-UHFFFAOYSA-N 426.330 4.543 30 10 IJEE C#CCN(CCN1CCCc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 1167420118 AIALOFUWHBWKLI-JOCHJYFZSA-N 425.370 4.661 30 10 IJEE COC(=O)c1cccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1C#N 1168095772 ANWIWONJJYAXCA-FQEVSTJZSA-N 446.334 4.645 30 10 IJEE CN(Cc1ccc(F)c(C(F)(F)F)c1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 1180164721 ARPKQRSYXWOTCR-CQSZACIVSA-N 425.344 4.735 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCCCc3ccc(C(F)(F)F)cc3)nnc12 1188020858 CBWNCWSFIQKKLR-UHFFFAOYSA-N 444.482 4.974 30 10 IJEE N#Cc1cc(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)ccc1Oc1ccccc1 1203838813 HYVIEHHBJQELQX-UHFFFAOYSA-N 446.551 4.997 30 10 IJEE C#CCN(Cc1cccnc1Br)[C@@H]1CCOc2ccc(Br)cc21 1204923763 PEBRPRQAFDLNFM-MRXNPFEDSA-N 436.147 4.566 30 10 IJEE C#CCN(C(=O)Nc1cccc(Cl)c1OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1214915769 CXNDCBDEUGBXRK-UHFFFAOYSA-N 435.952 4.605 30 10 IJEE CN1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H](Cc2ccccc2)C1 1215241669 GKEJOFPCONOCPK-HSZRJFAPSA-N 426.520 4.741 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](CCC(=O)OCC)C1 1219084432 LNRWGCSFSIMMIO-HNNXBMFYSA-N 439.350 4.601 30 10 IJEE COc1ccccc1-c1ccc([C@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1222638172 GQNWRKHLSZOYRB-SFHVURJKSA-N 427.504 4.768 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)c1ccccc1 1246656664 YJIJFPDLVGRUBJ-DEOSSOPVSA-N 435.568 4.537 30 10 IJEE COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1cccc(COc2ccccc2C#N)c1 1270500357 IDMVBNHEHMNRRG-UHFFFAOYSA-N 442.515 4.731 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=CCC1 1286552900 SMQOTBIEXIRQNX-UYAOXDASSA-N 443.389 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCOC1CCCCCC1 1286571669 SCAWLUZYAAUBHE-UHFFFAOYSA-N 426.561 4.816 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](COC)C1 1286603660 WDPSRQNVLRKJQN-MRXNPFEDSA-N 439.387 4.707 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2occc2C)CC1 1286649380 NISAWWMQUHCQIZ-UHFFFAOYSA-N 443.345 4.726 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(F)F)c(F)c1 1286755774 KPGJIIUXFGEOKY-UHFFFAOYSA-N 449.864 4.961 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccsc2)C1 1286800596 NMAUKENYDKJOTN-TZIWHRDSSA-N 438.597 4.926 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@H](C)C1)C(C)C 1287710749 ASQIEZKAJKUNCL-NHCUHLMSSA-N 439.604 4.805 30 10 IJEE C=CC1(CC(=O)N(C(C)C)[C@@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CCCCC1 1288442191 LSXQCAJWDIFICE-KRWDZBQOSA-N 434.602 4.934 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1300356682 DSIGUAOTVVUPCC-VQTJNVASSA-N 446.599 4.522 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@H](OCC)C1CCCC1 1300438602 OLJFPJOFOYQGTG-DEOSSOPVSA-N 431.584 4.857 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1COC 1300516570 PSGOBANZCAWSSM-UHFFFAOYSA-N 444.604 4.543 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)COC 1300565211 MCFZSJNZVQUMDA-GOSISDBHSA-N 436.556 4.558 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@]1(C)C#C 1300777001 PZAHACRWGUPEOE-OAQYLSRUSA-N 449.407 4.522 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1300833318 ZEFRZVQNGCNEGX-OAHLLOKOSA-N 448.390 4.904 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(C)C1CCC(C)CC1 1300857799 GPGGZDIDPLFEIX-UHFFFAOYSA-N 449.393 4.789 30 10 IJEE C=C(Br)Cn1c(N(C)CCCSC)nnc1C1(c2ccccc2)CCC1 1300862404 YFXGPSKJYCIKJI-UHFFFAOYSA-N 435.435 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)CN1CCCCC1 1300918907 MHGOOFIRSKYXPS-NRFANRHFSA-N 434.632 4.875 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1300972190 KBSGSELHBUUKDB-QUCCMNQESA-N 428.552 4.623 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=O)NC2CCCCC2)CC1 1301076050 YLCCEKONBVFIQT-UHFFFAOYSA-N 448.398 4.857 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CCC)C1)c1ccccc1 1301165223 FIILVFPKPWQDLO-LADGPHEKSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301176550 DDCBQKGNAOCYTE-FCHUYYIVSA-N 435.616 4.846 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1301190503 UTRXPHLFPUFZCL-UHFFFAOYSA-N 446.521 4.922 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](COC)C1 1301240126 ZGHHDKOWLOCCSQ-MRXNPFEDSA-N 447.004 4.879 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)c1c(C)noc1C 1301271140 WFUAHPVLJNUDJS-GFCCVEGCSA-N 448.340 4.877 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(OC(C)C)nc1)C1CC1 1301330275 JHLVJETXUPCWMP-UHFFFAOYSA-N 439.510 4.532 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@H]1CCCC[C@@H]1C)C1CC1 1301334924 SIPMJDOSRBTFGT-WSWWRLHASA-N 430.637 4.947 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](SC)C(C)(C)C 1301411338 XVJGJOGBKLMVQJ-UYAOXDASSA-N 432.634 4.778 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cscc2C)C1 1301542482 OMMHPXYLYBFBFA-QGZVFWFLSA-N 432.952 4.937 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301615723 UQPOLDCNTYZHSK-FQEVSTJZSA-N 444.601 4.567 30 10 IJEE CC(C)(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCCCC1 1302125012 GTKGTRQNBIUHOE-UHFFFAOYSA-N 446.643 4.908 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C)N2CCc3ccccc32)cc1OCC 1308236658 GQAVRMIEDMDMPA-QGZVFWFLSA-N 445.401 4.953 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1Br 1309583609 GKFRNQRLQUCOOH-BBRMVZONSA-N 439.762 4.589 30 10 IJEE C=CCCc1ccccc1NC(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1 1310625563 YWDHNQRQCYLSJI-UHFFFAOYSA-N 431.577 4.590 30 10 IJEE CCc1ccc(N2CCN(C(=O)NCc3cccc(O[C@H](C#N)CC)c3)CC2)cc1Cl 1312008681 BRLAIOQHHKEDHI-NRFANRHFSA-N 440.975 4.615 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(F)cc(N2CCOCC2)c1 1351321744 HDQMAPBGNVAQOH-UHFFFAOYSA-N 431.467 4.887 30 10 IJEE C#CCN(C(=O)Cc1ccc(F)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1353635630 UGIPAHMLVGVWRV-GOSISDBHSA-N 436.708 4.770 30 10 IJEE COc1cc(COC(=O)c2ccc(Br)cc2C#N)cc(Cl)c1OC(F)F 1354956420 DHZFMZFUQZYPSI-UHFFFAOYSA-N 446.631 4.941 30 10 IJEE C#CCN(CC)C(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 1355448574 PRWIHKDKIQOAQZ-UHFFFAOYSA-N 446.395 4.695 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3nc4c(C(F)(F)F)cccc4s3)C2)c(F)c1 1355673010 HQHIZALRMOSPOT-GFCCVEGCSA-N 434.418 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOC1CCCCC1 1358877123 XODYRPKBLQMUTN-LJQANCHMSA-N 432.572 4.533 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1358909853 UMPJQYWGDCELSD-QFIPXVFZSA-N 431.540 4.502 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1358928843 MCKWGBCALUJAQE-OXQOHEQNSA-N 443.389 4.819 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCCCC1(F)F 1359019260 OUUTXVUXJRNLGK-SFTDATJTSA-N 430.543 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCSCC=C 1359063957 HTCADBLHVJGBIX-HTAPYJJXSA-N 431.005 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCNC(=O)c1occc1C 1359110982 KLOHQRRTEMBVFW-UHFFFAOYSA-N 446.555 4.550 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1359115273 ROTNKIPZHZTQSB-NHCUHLMSSA-N 425.621 4.896 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@](C)(O)CC)CC1 1359167619 NEXICAKKBNZMIM-HSZRJFAPSA-N 432.996 4.569 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1359173628 KOKUQGQDFGSDHR-GFCCVEGCSA-N 430.906 4.648 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1359185629 DCRKHXPXXFFMGQ-UHFFFAOYSA-N 430.600 4.886 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1359204370 MMLIRKPNABBMIZ-HXUWFJFHSA-N 425.621 4.947 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCC(C)CC1 1359232627 ZHHBGUWCJSRFIZ-LJQANCHMSA-N 432.012 4.816 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1sc(C)nc1C 1359254264 KEDPQEDSTMWWEI-UHFFFAOYSA-N 425.602 4.898 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCSC1 1359256415 FDBJDWPCFPZFFF-YADHBBJMSA-N 437.613 4.727 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H]1N(C)CCCC1(C)C 1359256876 SNICFMSJSSYDTJ-HSZRJFAPSA-N 432.616 4.730 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1359269676 LHMVARXGEDVVHJ-GOSISDBHSA-N 443.567 4.908 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cc(C)no1 1359278918 LPIPGGHMYAKUAQ-UHFFFAOYSA-N 443.960 4.797 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1SC 1359290519 FACMABUCUVBRAT-SFHVURJKSA-N 443.617 4.894 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1 1359823567 VNJSQZFJVOCOCT-NRFANRHFSA-N 435.351 4.960 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(C)c3ccc(Cl)cc32)s1 1361196654 AHCJBWUBQZVQTK-UHFFFAOYSA-N 428.410 4.975 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c(OC)c1 1436156562 YEYMRSLHCNWVMP-UHFFFAOYSA-N 431.536 4.980 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccc(Cl)cc1F 1436652400 GSZPLYCENZOEGG-IBGZPJMESA-N 429.829 4.536 30 10 IJEE C#CC[C@@]1(C(=O)N(C)[C@@H](CCc2ccccc2)C(F)F)CCCN1C(=O)OC(C)(C)C 1438194734 WUOIXDZEUIXWHA-CYFREDJKSA-N 434.527 4.504 30 10 IJEE C/C(=C\C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)CN1CCOCC1 1444934238 KKTSPRJJHOJAHP-FOWTUZBSSA-N 445.441 4.586 30 10 IJEE CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1457512606 HFXIUDYAYGRYLG-INIZCTEOSA-N 434.342 4.968 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1ccnn1-c1ccccc1OC 1461844446 JYAVCZPBBZIKIF-UHFFFAOYSA-N 430.321 4.971 30 10 IJEE C=CCSCCNC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 1465655913 PFIPGSIILXUDLT-UHFFFAOYSA-N 437.487 4.676 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](CCCC)C(=O)Nc1cccc(N2CCCC2)c1 1466207638 UBYYUSVMEDYDQN-QHCPKHFHSA-N 448.567 4.618 30 10 IJEE C=CCCC(C)(C)CNC(=O)NCC1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 1470456099 YQSUNOZHOLXYSP-UHFFFAOYSA-N 433.637 4.998 30 10 IJEE C#CCN(C(=O)NCc1cc(F)c(Br)cc1F)[C@@H]1CCCc2ccccc21 1470985408 AUUNJVIVWOPKKT-HXUWFJFHSA-N 433.296 4.950 30 10 IJEE CC1(C)C[C@@](C)(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C(=O)O1 1476217295 GRBKMKRCDPUKFB-OAQYLSRUSA-N 447.413 4.975 30 10 IJEE N#Cc1cc(NC(=O)N2CCN(CC3CC3)CC2)ccc1Oc1ccc(C(F)(F)F)cc1 1476217299 GSPYXETUEHDJAQ-UHFFFAOYSA-N 444.457 4.929 30 10 IJEE C#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c(Cl)c1 1477147495 UHLIKJCFVSUZQA-UHFFFAOYSA-N 446.776 4.870 30 10 IJEE C#CCC1(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2CC)CCCCC1 1478759246 QXVNTLUXPFTLNZ-NRFANRHFSA-N 427.589 4.840 30 10 IJEE CCC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1497790420 GKSSQPFSGGCGEL-JOCHJYFZSA-N 427.980 4.935 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1507559668 WNLKUVCJYAFRAO-FCHUYYIVSA-N 435.616 4.578 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccnc(SC)c1 1507681543 YPOHMJPPSFNPFL-MRXNPFEDSA-N 437.638 4.756 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1507756601 WUEXYILSHAGZAS-AUSIDOKSSA-N 438.641 4.973 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ccc(C)o1 1507757242 RAFXXXCOGIACFK-UHFFFAOYSA-N 426.611 4.783 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1507847438 MUDZSTZWRXLGBZ-SFHVURJKSA-N 447.505 4.722 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1507878499 KMUXNLSKZOJXMR-HXUWFJFHSA-N 425.577 4.571 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C/C=C/CC)CC1 1507903124 JHRDQADTEYEKOX-IBDYFIJFSA-N 429.609 4.761 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(C)(OC)C1 1507911402 LJQGZYNYQXFQCU-UHFFFAOYSA-N 433.394 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1507911440 HEMFZQQBCBEZGA-LEWJYISDSA-N 440.588 4.916 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1507996503 HRCVZPNHICXGJQ-QZTJIDSGSA-N 442.677 4.545 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CCCC1 1508008142 CHGLWHSZCRWDFK-QHCPKHFHSA-N 430.618 4.765 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(OC)C1CC1 1508011613 ITNIVTBYEDWVRH-IBGZPJMESA-N 437.407 4.763 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1508019347 CZHXXQQBBGOSJL-NQIIRXRSSA-N 429.634 4.654 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C2CCC(C)CC2)cc1 1508106440 WKRPKKUHJVTRMZ-UHFFFAOYSA-N 448.615 4.768 30 10 IJEE Cc1cc(Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)[C@H](C)CC#N)on1 1511958114 FQAUEQIQMYDGKC-OAHLLOKOSA-N 436.516 4.896 30 10 IJEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCc2sccc2C1 1512692401 GJKLUEXQELROQX-OSPHWJPCSA-N 435.597 4.628 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)OC)CC1 1515210465 DKPBHDFHYCOYHQ-JOCHJYFZSA-N 439.604 4.807 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nnn(-c3cccc4ncccc34)c2C)C(F)(F)F)cc1 1521343437 DCXMBVSTOYNCMP-OAQYLSRUSA-N 436.393 4.566 30 10 IJEE C=CCN(C(=O)c1cccc(C(F)(F)F)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1522119987 XSYJZFLFHLXXCR-UHFFFAOYSA-N 434.399 4.965 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)cc1 1524019910 DKDNZMAPCLSHII-GJZGRUSLSA-N 430.595 4.670 30 10 IJEE N#CCCN(CC(F)(F)F)C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1524058187 HRHLHOABSLKMOT-UHFFFAOYSA-N 438.759 4.522 30 10 IJEE C#C[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)c1ccc(Br)cc1 1528079885 DIGLFRIWGSOLLG-MRXNPFEDSA-N 441.550 4.898 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccc(Oc3ccccn3)cc2)nc1 1529014414 HPPJFCCQXXLOCY-UHFFFAOYSA-N 436.471 4.753 30 10 IJEE C=C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)c1ccccc1 1532387292 JWNCFSNFZDCAID-OXJNMPFZSA-N 433.957 4.845 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Br)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1533613199 AOHTWDIGECHJKF-FQEVSTJZSA-N 439.350 4.742 30 10 IJEE C#C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 1535469274 YQMDKWXQMOCYNC-HNNXBMFYSA-N 425.794 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)noc1C 1538971030 FEXDKIYDAPMBKA-MAUKXSAKSA-N 441.963 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(CC)C(C)C 1538977475 WLLPLXZBTAVHFZ-HXUWFJFHSA-N 432.616 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)c1ccc(Cl)cc1 1539034779 IKBDSOGPFLLIMD-NASSWSRMSA-N 445.007 4.696 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(Cc1cccs1)C(C)C 1539626569 FKXHRAWWWJYBOE-WIYYLYMNSA-N 425.602 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2[nH]c(C)cc2c1 1539651745 JZPUDIALWRVDKD-RUZDIDTESA-N 437.588 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](c1ccco1)N(C)C 1539676790 UTJRWEGXQCMFOH-JOCHJYFZSA-N 432.572 4.579 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1539742909 OBOHBVORCWOVQN-UHFFFAOYSA-N 445.489 4.896 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCC2(COC)CCCC2)CC1 1539892157 SUKQIHLSOXHSOV-UHFFFAOYSA-N 438.616 4.877 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1539894801 VENBLQJDIAYTDX-JOCHJYFZSA-N 436.629 4.871 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1539989187 PAOUKEAEYLVDJM-UHFFFAOYSA-N 439.947 4.540 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](c1ccsc1)N(C)C 1540049575 OHWDHDAFTJYQCZ-VQIMIIECSA-N 429.565 4.544 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 1540051181 UBKIKPQDNQSMMC-GOSISDBHSA-N 426.561 4.951 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1540160776 AODQYBQDTKFAKB-UHFFFAOYSA-N 442.498 4.893 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CC1CCOCC1 1540184621 GVKHORRPCHTPBU-UHFFFAOYSA-N 426.948 4.853 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCC 1540394217 VYTYRPCLCGMGJI-QFIPXVFZSA-N 426.944 4.953 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nccn2C)cc1 1540639061 YWEVFACVIDLIPK-SFHVURJKSA-N 430.574 4.759 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1542447530 KGDMWFOLOVBVRB-VXKWHMMOSA-N 428.573 4.575 30 10 IJEE C=CC(C)(C)CNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 1544668289 PYAMSMKYCHMHSF-UHFFFAOYSA-N 430.961 4.660 30 10 IJEE COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N(C)[C@@H](C)CC#N)N2CCCC2)c1 1554991497 CZYKUEDDTBMRHL-CVDCTZTESA-N 436.604 4.520 30 10 IJEE C=CCOC[C@H](NC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)C(=O)OC 1556375616 NZPYKELVCDZSSF-KRWDZBQOSA-N 440.348 4.619 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)C1 1557241642 XNQZQIXDASWBRI-CQSZACIVSA-N 434.355 4.584 30 10 IJEE C#CCN(C(=O)/C=C\c1cc(Br)c(O)c(OC)c1)[C@@H]1CCCc2ccccc21 1558542466 JUBNRVYUAZVVEB-ZCPJJFRWSA-N 440.337 4.716 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 1559325008 QPLBYTWNJBUVDQ-KRWDZBQOSA-N 434.439 4.608 30 10 IJEE C=C(C)COc1cc(CNc2ccc(N3CCN(C)CC3)c3ccncc23)ccc1OC 1560621583 RORAPJZCRJNLBG-UHFFFAOYSA-N 432.568 4.562 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 1564428919 JWVRKMXNYNEAPI-HXUWFJFHSA-N 425.548 4.981 30 10 IJEE CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1584173553 BVAIGLQXWOXKKE-UHFFFAOYSA-N 428.370 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCOC(F)(F)F 1587593026 HOKXRPZZAGGSLT-MRXNPFEDSA-N 448.445 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCCN1C1CC1 1587600188 VJHGZAVFXWVPNO-XUZZJYLKSA-N 449.643 4.845 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@](C)(OC)C1 1587812898 DNDHXKQLBVRSQW-AREMUKBSSA-N 431.584 4.771 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC[C@H](COC)C1 1587831178 KFYGVCDQRQGEDZ-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCO[C@@H](C)C1 1589150670 INLGTLXCWOTSNS-YRWQMTPXSA-N 436.600 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCN1CCCC 1589223222 GGZXSYGQACZCGS-JYFHCDHNSA-N 437.607 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](OC)C(C)C 1589242876 NNYCIQHKDZHIAH-ATIYNZHBSA-N 438.616 4.818 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCC(C)CC1 1589570353 UIFDAIADWKJQGW-GTPQCEENSA-N 442.579 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccccc1Cl 1589641749 OILHYEGFFUXPEC-QHCPKHFHSA-N 425.964 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1589651977 LGJUKBYHEQQWLP-QFIPXVFZSA-N 436.648 4.549 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CCC(C)C 1593683027 FILJRMCQSLUSFE-IBGZPJMESA-N 430.597 4.692 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cccnc2OCCC)CC1 1594128214 NWTAYHVSXZHLAQ-UHFFFAOYSA-N 447.583 4.862 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1594573569 URHOZUGULRPGCB-OAQYLSRUSA-N 446.599 4.511 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN1CC 1595076155 VMXGWAJIEIJXDY-JOCHJYFZSA-N 439.648 4.942 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1cccs1 1595905842 SGFCHMREJOGXGF-RTBURBONSA-N 434.675 4.856 30 10 IJEE COc1ccc([C@@H]2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)C2)cc1 1615387303 COWUZDAYXMFPHA-OAQYLSRUSA-N 434.584 4.918 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 1622898288 HDDQZEMAVNXIOL-FQEVSTJZSA-N 437.927 4.804 30 10 IJEE C#CC[C@H](CCOC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 1623649075 JEFRGFGSVJWAEK-NBUURPNVSA-N 439.440 4.653 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCN1Cc1ccccc1 1625363941 GVFJGVNPWMPHOO-UHFFFAOYSA-N 441.535 4.874 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(C)c1C(=O)OCC 1626389566 DXJHKYKVXKIILN-ZDUSSCGKSA-N 430.954 4.516 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)cc1OC 1627613393 AXFMFHWFYXZHTN-ALCCZGGFSA-N 446.276 4.690 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1629102559 LVENIGKZTCLCAC-INIZCTEOSA-N 427.220 4.521 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C 1636944489 WNVJZCVQALXEBF-SFHVURJKSA-N 439.364 4.572 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 1637056667 ASUIWIGKAUDXQD-SJLPKXTDSA-N 425.356 4.867 30 10 IJEE C=CCC1(O)CCN(C(=O)c2ccccc2Sc2ccc(Br)cn2)CC1 1638656487 ORUQOCUQTXIKMD-UHFFFAOYSA-N 433.371 4.539 30 10 IJEE C=CC[C@H](CC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 1639668596 DNOITLMATRZJKK-AWEZNQCLSA-N 427.353 4.879 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1CSc1nc2ccccc2o1 1640924940 XGSZUZZQBUZQDP-UHFFFAOYSA-N 436.533 4.537 30 10 IJEE Cc1cc(C(=O)CSc2ccc(C#N)cc2F)c(C)n1C[C@@H]1COc2ccccc2O1 1640938847 BZXLADVNSQSEBK-GOSISDBHSA-N 436.508 4.931 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O 1645353167 BLFJCKUFCIPJTG-ZHRRBRCNSA-N 438.524 4.526 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 1648878393 XWDAPVLMQKNROE-GCJKJVERSA-N 438.490 4.850 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc([C@H]3CCCO3)n2)nnc1-c1cccc(OC)c1 1650840890 ZOJKSRQPOMRYML-OAHLLOKOSA-N 429.933 4.586 30 10 IJEE COc1ccc2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)[nH]c2c1 1655983984 BXXIMXAIFKRXSU-UHFFFAOYSA-N 431.521 4.582 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)Cc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 1657027948 GSNLTIPJUMXUGY-UHFFFAOYSA-N 435.524 4.988 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)n(-c2cccc(F)c2)c1C 1657653827 DSIUQPKTVGODFY-NRFANRHFSA-N 444.432 4.937 30 10 IJEE Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2ccccn2)cc1 1661552325 HSIINRCYJKWSKD-HXUWFJFHSA-N 445.466 4.543 30 10 IJEE COc1cc([C@H](C)NC(=O)Nc2cc(C#N)c(F)cc2F)ccc1OCc1ccncc1 1664250731 HJXYWSZMHYDATF-AWEZNQCLSA-N 438.434 4.702 30 10 IJEE COc1cccc([C@H]2C[C@H](N(C)S(=O)(=O)c3sc4ccc(C#N)cc4c3C)C2)c1 1664397287 CJVGNIJGKAEJKA-IYARVYRRSA-N 426.563 4.657 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 1665813343 GWTNYQSWWJVHLO-UKDVSSAZSA-N 441.531 4.884 30 10 IJEE C=CC[C@@H]1CCN1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1666404664 IMFGILWYQQDNOB-GOSISDBHSA-N 443.569 4.692 30 10 IJEE CC(C)N1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1668176135 AHDXLUBZVXKBTJ-HXUWFJFHSA-N 426.948 4.737 30 10 IJEE COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1SC[C@H](C)C#N 1668454295 BPFISDNUQNNIQS-MJGOQNOKSA-N 425.554 4.624 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-n2nncc2C)cc1 1671228412 LFJDRJFYUWGMOW-UHFFFAOYSA-N 444.308 4.697 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)CC1 1671727907 YLNDPWOIUCGMAV-GOSISDBHSA-N 443.806 4.919 30 10 IJEE C#CCC1(NC(=O)Nc2cc(I)cc(C(F)(F)F)c2C)CCC1 1674731847 BUTQQNPBPBFBJI-UHFFFAOYSA-N 436.215 4.686 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1675018601 PNPSHCOZHJCQSF-IBGZPJMESA-N 433.886 4.589 30 10 IJEE C#CCN(C(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1)[C@H]1CCCc2ccccc21 1677604793 NLBBHNSVEZTKST-NRFANRHFSA-N 443.469 4.718 30 10 IJEE CCOC(=O)N1CC[C@H](NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1 1678483881 DDWQSORITILSAQ-KRWDZBQOSA-N 444.944 4.715 30 10 IJEE CCOC(=O)C[C@H](C)CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1678740977 CDIISOZWWGOSKR-JTQLQIEISA-N 432.336 4.687 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1)c1ccc(F)c(F)c1 1680280504 OROPAEORVIGANZ-IVZQSRNASA-N 435.465 4.949 30 10 IJEE C#C[C@@H]1CCCN(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)C1 1680377224 NNJWWYSJWPOBSC-HUUCEWRRSA-N 432.387 4.997 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1 1680958837 AUNWOOPUNXNCDB-WIYYLYMNSA-N 431.577 4.743 30 10 IJEE C#C[C@H](NC(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1)c1ccc(Cl)cc1F 1682366779 ILXDSIZXDLKUOC-REWPJTCUSA-N 428.935 4.895 30 10 IJEE C#CCC1(NC(=O)NCC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCCCC1 1683401761 GJWFZTKTINWLFQ-OAQYLSRUSA-N 427.589 4.538 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2ccnc(F)c2)CC1)c1ccc(C(F)(F)F)cc1 1685817883 ZKBBQJRSTNUPIG-IBGZPJMESA-N 436.453 4.779 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1689881556 UNYOWGNECYUKJK-UHFFFAOYSA-N 430.943 4.838 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1CC 1690236697 PUYSDYGSSIVQDM-BVSLBCMMSA-N 437.588 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)CCC 1690238980 PXJMZPYZLZWYIS-HKUYNNGSSA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CCC)CC1CC1 1690247773 FVZATOGUYBHQHN-JPYJTQIMSA-N 430.543 4.755 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1690406921 XVFQNNNLCSHKIT-GOSISDBHSA-N 425.577 4.508 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690465224 VTFGUEMLGFTUPI-LJQANCHMSA-N 440.542 4.850 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1690481317 ALZGQMFISVAGCO-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc(F)cc(F)c1)C1CC1 1690553909 MLZOVVIXAYKRBK-NHCUHLMSSA-N 430.543 4.872 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC1(C)CCOCC1 1690556350 UTQXWMKQLBCYDQ-JOCHJYFZSA-N 440.588 4.538 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCNC(=O)OC(C)(C)C 1690575942 HJPPFPLUVNPTER-UHFFFAOYSA-N 443.573 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1F 1690579134 FEJGYQVLBZNGTR-UHFFFAOYSA-N 436.560 4.581 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cc(F)ccc1SC 1690599412 XVFDHRJUZRFFFQ-UHFFFAOYSA-N 448.571 4.604 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CC1CCOCC1 1690605409 IUKCJRADDPOVGJ-UHFFFAOYSA-N 426.948 4.853 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1690632797 QEAMFNCGINZUBW-ZIAGYGMSSA-N 425.396 4.595 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC(C)(C)c2cccs2)c1 1705504364 UIABBBDVUUBASP-GOSISDBHSA-N 449.624 4.887 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1705521076 PPYMEZIEJHCPOU-HSZRJFAPSA-N 436.600 4.530 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN1CC 1705620179 NHNHVOBHSGYWMG-QFIPXVFZSA-N 425.596 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)COC1 1705668659 QWZDICPIBISRSR-MHECFPHRSA-N 442.991 4.717 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705746667 XHZVCANNVLSLHQ-QHCPKHFHSA-N 440.979 4.729 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)cc2F)CC1 1705764100 NXSHGBJMAORQOS-UHFFFAOYSA-N 444.352 4.698 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1705777684 KJXTVNYNOGAKRR-QGZVFWFLSA-N 443.592 4.894 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)CC1 1705782596 AXBKOPSDSPZXIW-UHFFFAOYSA-N 430.980 4.742 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1705783274 ZSWPPBDECSUCFQ-VWLOTQADSA-N 438.547 4.528 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(Cc2cccs2)CC1 1705803963 KERMRMKOIRIZQC-UHFFFAOYSA-N 425.577 4.824 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(F)c1 1705869763 DMBUHNNTVOVIGG-UHFFFAOYSA-N 444.352 4.606 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC(CC)(CC)C1 1705890447 QKJYPHLGUMYUPO-SFHVURJKSA-N 449.665 4.691 30 10 IJEE CC(C)(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCC(F)(F)F 1706113630 BTOPYKCPBMSCMN-UHFFFAOYSA-N 434.510 4.506 30 10 IJEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1706146006 CCEBSTOGZDOSAB-OAQYLSRUSA-N 430.556 4.696 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)C1CCCC1 1706490728 HWQVJWWCOKDVIV-UHFFFAOYSA-N 436.604 4.527 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CCO1 1706952041 AASGMVLLXZMGRA-ROUUACIJSA-N 433.478 4.726 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC1CC(F)(F)C1 1722451911 PSHORZWTYNFBAP-SFHVURJKSA-N 448.583 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1722516367 YVSBYZNWAJLZRS-UHFFFAOYSA-N 429.515 4.957 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CCC2)C1 1722598650 MQLVUGBJGGTSOR-UHFFFAOYSA-N 427.980 4.598 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1722645414 LYAHWGCJPWNBTN-ZWKOTPCHSA-N 445.558 4.822 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722655362 DAMZUIDIJUAALP-ZBLYBZFDSA-N 446.643 4.805 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1csc(C)c1 1722656696 ZYEKCLCZPZUXEI-UHFFFAOYSA-N 444.564 4.536 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1CCNc1ncc(Cl)cc1Cl 1722659689 ZLJNCHYOGWGZRU-UHFFFAOYSA-N 431.371 4.847 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(C)(F)F 1722868883 FETVMDWECYOSHB-GFCCVEGCSA-N 432.302 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)c1ccccn1 1740534791 KDGWOYCHUXRNCN-VQTJNVASSA-N 447.583 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1nc2cc(Cl)ccc2s1 1740555603 LSBOBJCYQRKPLF-ZDUSSCGKSA-N 427.986 4.700 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1Cc1ccsc1Br 1740635219 KICNSRUMNJYEKA-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1740665397 ANDZGGIPRDTBDT-BQFCYCMXSA-N 443.389 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)CN(C)C 1740728384 WTCJQGLSEBWOPZ-JOCHJYFZSA-N 434.415 4.832 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740752349 VTEIYYWFMGGVIW-UIFIKXQLSA-N 430.980 4.614 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](CCOC)C1 1740802726 CMPPQWYNMCGJRJ-FQEVSTJZSA-N 439.991 4.968 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1CSC)c1ccccc1 1740855622 NEBKBBFJELLABL-XZOQPEGZSA-N 433.625 4.956 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740857024 ANTDEIFRKKEMSX-YADHBBJMSA-N 437.588 4.651 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1cc(C)oc1C 1740892024 PJCSSSBLIGIHGM-HXOBKFHXSA-N 444.963 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=C)Br 1740892244 CUJFACWONNLUQB-UHFFFAOYSA-N 426.362 4.883 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([S@@](C)=O)CCC1)C1CC1 1740907533 WNBZZYMHTVDLEI-MUUNZHRXSA-N 439.412 4.708 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@H]1C 1740924081 GAYDDFCOUXNXSF-BNDYYXHWSA-N 430.618 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)CCCS1 1740924530 VIYMPLQTJSMXFB-JLMWRMLUSA-N 448.658 4.542 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1csc(CC)n1 1740924823 DNWLSDJGXOUDDS-UHFFFAOYSA-N 431.569 4.581 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1occc1C 1740928843 XENNWRZBXAWPME-UHFFFAOYSA-N 443.345 4.844 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC=CCC2)C1 1740975096 SAQFSJXPICTRMK-FXAWDEMLSA-N 430.499 4.684 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC=C(COC)CC1 1740998541 QFVTYWQSFNEYJW-UHFFFAOYSA-N 439.412 4.954 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(COc2ccc(C#N)cc2)n1CCC1CC1 1747712104 HGNJANQSQLVALL-UHFFFAOYSA-N 427.961 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(OC2CCCC2)c1 1748659532 JGUJIEKAUALZSA-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(COCC(F)(F)F)c1 1748682066 PUZPDBRUVDNVSC-INIZCTEOSA-N 448.514 4.516 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1csc([C@@H](C)OC)n1 1748777205 CMLLNNCSGFXTOE-GFCCVEGCSA-N 436.368 4.534 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(C)CCCS1 1748835813 JIDQPQGVDWKORQ-VWLOTQADSA-N 436.625 4.729 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1CC(OCC)C1 1748914820 OBJUNKYZEQBNEE-ZJRDLVKKSA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCc1ncc(CC)s1 1748939353 ZNODDUMZIMNYLQ-UHFFFAOYSA-N 425.627 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([S@@](C)=O)CCC1 1749146832 OMVWRYZRXVUQOT-MUUNZHRXSA-N 441.428 4.956 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(C)C 1749162312 MMRMYPWUAKMZRO-HXUWFJFHSA-N 427.980 4.821 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749182031 JJXUBMKJOJOUGS-QHCPKHFHSA-N 448.615 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCC[C@@H]2C)CC1 1749330962 SSBIPIQWUYQAJL-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCO[C@@H](C)C2)CC1 1749335124 LBBXWLXPAOROPG-WMZOPIPTSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749370656 NWHAGSWGVAYMTN-OAQYLSRUSA-N 432.616 4.582 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 1749381899 IEGFUZGOGNQQNM-DHIUTWEWSA-N 445.615 4.657 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccccc2C)C1 1749406986 RQGFYZGVTCUGPJ-HXUWFJFHSA-N 449.624 4.928 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccnc1OCCC 1749473675 NTOZZICVKYOZDZ-KRWDZBQOSA-N 437.613 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCOC1 1760331989 RMZWHEQUBGODPP-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1760385217 MQZRVDWNKYHEBX-PKOBYXMFSA-N 445.405 4.724 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760423308 VUWJJBUBVAXYDX-MOPGFXCFSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760432924 WCIVJJFUGZREHO-OXJNMPFZSA-N 445.489 4.924 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC[C@@H](C)C1 1760454494 LRJGAMXBYWIVOD-HXUWFJFHSA-N 432.616 4.936 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](CC(C)C)N(C)C)C1CC1 1760469813 PHKLFMCTUNVRPL-HXUWFJFHSA-N 446.437 4.839 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760511568 VEBAFFHDEWNSTR-IBGZPJMESA-N 445.995 4.544 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1 1760529765 KPHUKVOGZBHBKB-QHCPKHFHSA-N 447.583 4.513 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCCC2(F)F)C1 1760549578 HOLOWDDNXMYECM-NHCUHLMSSA-N 430.543 4.670 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1760560940 KOEBOOKEYNPXSX-PMACEKPBSA-N 442.629 4.516 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1762706000 AHAIOLSKSIEABA-FHAGJXEFSA-N 426.653 4.822 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCOC1CCCCCC1 1767063516 FAASOYMNHUTLLC-UHFFFAOYSA-N 444.583 4.511 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCS1 1771109951 CLANINYHHLTTOP-OAHLLOKOSA-N 440.400 4.514 30 10 IJEE O=C(/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860730729 YGZHQFYKBBJCNE-HNQUOIGGSA-N 431.288 4.674 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(OCC(C)C)cc1 1861769087 GDPMIHGSHSRMJF-VWNXMTODSA-N 446.632 4.554 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862392417 XKKJUMSNAQXICA-QHCPKHFHSA-N 435.520 4.961 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CC2)cc1OCC 1862454339 VPZSXZMMWTTZOE-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862509375 GQSAJXOLEBWNCT-QHCPKHFHSA-N 436.527 4.895 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc1OC 1862509529 KGYZAKSOTQDUMZ-QFIPXVFZSA-N 441.499 4.776 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862534009 QFEVKFMHSVNVAO-HSZRJFAPSA-N 442.471 4.936 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2Cl)cc1 1862535185 BKMCJPNHBFGKBZ-OAQYLSRUSA-N 427.928 4.906 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)c1 1862631233 MWHQFVFXXBUBPN-QHCPKHFHSA-N 449.503 4.725 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862637809 MVORQUSDWGIYDR-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)c1 1862703319 UKAZNWTVDWGWLB-XMMPIXPASA-N 443.499 4.530 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1O 1862717917 OSHQHHQCNGBCGD-QHCPKHFHSA-N 431.488 4.788 30 10 IJEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CNc1cccc(C)c1C 1870834042 YCODSTDJFXUDJK-OAQYLSRUSA-N 445.563 4.519 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1871009537 ZUYNMQVRYOJXKG-UHFFFAOYSA-N 443.591 4.984 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1OC 1871344556 MBOGKEMUWCCVNX-MYYYXRDXSA-N 443.499 4.715 30 10 IJEE Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871362916 XQGHOQWEHWZAAD-ZDLGFXPLSA-N 434.275 4.749 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)cc1 1871459884 JJKUZTVXNAOVQE-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE C=CCN=c1nc(N(CCCC)CCCCCC)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871677234 MFCWGAWLYOXBKM-UHFFFAOYSA-N 447.027 4.906 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872059288 GYUAONBIBOIWGJ-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872314061 QVJFCGXOSAMMFY-QFIPXVFZSA-N 444.597 4.605 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777486 OVJMJDTUDGOSBL-MRXNPFEDSA-N 434.908 4.551 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(C2CCCCC2)C1=O 1873139929 JWAJTZBUXDGJHB-UHFFFAOYSA-N 427.545 4.958 30 10 IJEE CCCOc1ccc(/C=N/Nc2oc(-c3ccc(Br)o3)nc2C#N)cc1OC 1873462237 UMMCFTOYSWLQNF-SSDVNMTOSA-N 445.273 4.812 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641244 IKZBIXHBBBYALV-UHFFFAOYSA-N 443.507 4.586 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(O)cc1 1874214592 UCKPNWSPVCNZNW-HZHRSRAPSA-N 428.945 4.809 30 10 IJEE Cn1cccc1/C=N/n1c(COc2cc(F)ccc2F)nnc1SCc1ccccc1 1874261640 ZOSISXHSOHUAPG-DHRITJCHSA-N 439.491 4.648 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2/N=C/c2c[nH]c3ccccc23)CC1 1874284913 FPTMVLYDUPOVRY-VULFUBBASA-N 438.601 4.683 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccccc2O)CC1 1874286520 LBPGZUOEVMIEQQ-OEAKJJBVSA-N 430.574 4.595 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2cccc(OC)c2OC)CC1 1874287035 KRSBOROLHMQIKH-LFVJCYFKSA-N 446.617 4.726 30 10 IJEE Cc1cccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2ccccc2C)c1 1874334297 LNEXKEAGERFMPK-MNVTYAKESA-N 447.608 4.794 30 10 IJEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874399111 ZWNCWOIGNHNKRU-WGOQTCKBSA-N 444.560 4.957 30 10 IJEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1cc(Br)cc(OC)c1O 1874466637 STAIAKGEJVQJNK-AWQFTUOYSA-N 449.330 4.565 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccccc1F 1874480281 PYJBCOPRJHNATH-STPJHCLOSA-N 439.560 4.612 30 10 IJEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCO 1874666257 JJDFBKZZHWKQIN-DEOSSOPVSA-N 443.632 4.615 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)cc1 1875107227 GKAACCWVMCMTMV-MKMNVTDBSA-N 432.472 4.893 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 1875134628 CDHFGWOULRDCLS-DJGBTNNQSA-N 439.464 4.591 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3sc(C)nc3C(F)(F)F)ccc21 1889524683 HVSSOGIDTJLVRE-UHFFFAOYSA-N 439.459 4.660 30 10 IJEE C=CCC1(NCc2cccc(OC)c2Br)CCN(C(=O)OC(C)(C)C)CC1 1927327931 MBDVIVLEMSAXHY-UHFFFAOYSA-N 439.394 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 1930238627 LIMZFULXYUFKEX-FQEVSTJZSA-N 429.561 4.963 30 10 IJEE C#CC[C@H](C[C@H](N)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2020079053 QNSMJAVTYZMTGP-UMFSSWHCSA-N 426.601 4.597 30 10 IJEE COc1ccc(-c2ccc(C=CC(=O)c3ccc(N4CCOCC4)cc3)o2)c([N+](=O)[O-])c1 2053539375 KXGQBQGGVCALBB-UHFFFAOYSA-N 434.448 4.596 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC 2063096015 YNTVESZZKARNEN-UONOGXRCSA-N 435.765 4.842 30 10 IJEE CC(C)Oc1ccc([C@@H](C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2080060031 FKDRXDGUCSFDBO-SNVBAGLBSA-N 449.214 4.775 30 10 IJEE CC(=O)Oc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080094477 KKRZYCAZDGREMA-AWEZNQCLSA-N 448.239 4.643 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](C)(O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2082128756 CQXZYKOTWGASRN-VUMQFKOGSA-N 446.632 4.572 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1Nc1cc(Br)c(C#N)cc1F 2105974788 SXUCGEGTPKCHQK-PBKGOJFUSA-N 426.330 4.763 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCCC 2110504043 OUFBPKKBUCYARE-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 2124436328 HHWLWMKJYTVLDL-KRWDZBQOSA-N 429.399 4.631 30 10 IJEE CCCN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CCN(Cc2ccccc2)CC1 2143601246 ZWKQZEPTMRMXIB-UHFFFAOYSA-N 448.460 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(Br)cc2C#N)Cc2ccccc21 2174769278 YGJHOTBQEWAYIR-GOSISDBHSA-N 428.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC(C2CCN(c3cc(Br)c(C#N)cc3F)CC2)C1 2176945469 DLKQDRWQYTVVMV-UHFFFAOYSA-N 438.341 4.543 30 10 IJEE CC(C)n1ncc([C@@H](N)C#Cc2ccccc2Br)c1NC(=O)OC(C)(C)C 2235718332 DGKMTQMFBNXZCI-KRWDZBQOSA-N 433.350 4.625 30 10 IJEE COc1cc(CNc2ccc(Br)cc2I)ccc1C#N 2240338600 DJGGPOARDHZYDH-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE Cc1cnc(NC[C@]23CCC[C@@H]2CCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241049372 MLVXYUBOXYCTPM-AJTFRIOCSA-N 447.432 4.546 30 10 IJEE C=CCC1(Oc2nc(OC)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2265805438 YSXGUJDQUIZFGD-UHFFFAOYSA-N 427.339 4.577 30 10 IJEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 2270448443 GVERBXVANSYUAZ-GOSISDBHSA-N 437.364 4.874 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)cc(Br)c1F 2272721859 MTCIIPMVAXEKOP-WBVHZDCISA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccccc2Br)C[C@H]2CCCC[C@@H]21 2288327224 SZOCVXFOSWZRDB-ZRAXVTTISA-N 434.374 4.635 30 10 IJEE CCC1([C@H](C#Cc2cccc(Br)c2)NC)CCN(C(=O)OC(C)(C)C)CC1 2296216601 MEACKBASSDYISS-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)C1 2296223567 BGJTZELWMGIDNO-NBCNXNJRSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(N)(C#Cc3cccc(Br)c3)CC2)C1 2296231610 GCHWDLBABMZYRX-UHFFFAOYSA-N 433.390 4.699 30 10 IJEE NCCO[C@@]1(C#Cc2cccc(Br)c2)CCCC[C@H]1OCc1ccccc1 2296274015 RSYCMNLGEXMIKV-DHIUTWEWSA-N 428.370 4.674 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)C#Cc1ccc(Br)cc1)c1ccccc1 2296286843 OYZVICJPUBHWET-LJQANCHMSA-N 428.326 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@@H](N)C#Cc1ccc(Br)cc1 2296297566 AHAYZSTURMSXCV-YSIASYRMSA-N 435.406 4.992 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2ccc(Cl)cc2Cl)cc1 2297060070 AJFFRGMDCJEIRI-LJQANCHMSA-N 448.302 4.588 30 10 IJEE CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nccs1 2314543077 VBNXLTAUWAYOKS-UHFFFAOYSA-N 426.479 4.935 30 10 IJEE C[C@H](CCN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353613 IVUKCKCQLKCHAH-QGZVFWFLSA-N 432.370 4.751 30 10 IJEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(O)c(Br)c1 2318574630 OSMRJGHADNQEQT-UHFFFAOYSA-N 431.359 4.792 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cc(OC)c(OCC)c(OC)c1 2318574993 XJKKZAVMJNJYHJ-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(CN2CCN(CC=Cc3ccccc3)CC2)cc1 2321753932 HKTLBFCYTRVYKH-UHFFFAOYSA-N 436.559 4.642 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)OC)c3C)C2=O)c2cc(OC)ccc21 2321831512 ZLNYHSCAAYCXDS-HNNXBMFYSA-N 435.476 4.535 30 10 IJEE Cc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(C1CCC2(CC1)OCCO2)C3 2322216178 VYJWDIIZGFUVTN-UHFFFAOYSA-N 447.531 4.757 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCN(C)C)C4)C2=O)cc1 2322335693 QSFXGARSUWWFDH-UHFFFAOYSA-N 449.595 4.561 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3C2=O)cc1 2323561630 VTZOJCVQFJDIRU-UHFFFAOYSA-N 440.407 4.637 30 10 IJEE CCOc1cc(C=NNc2nc(C)c(C(=O)OC)s2)cc(Cl)c1OCC(C)C 2323874576 ZDFHIEBEXDUICH-UHFFFAOYSA-N 425.938 4.771 30 10 IJEE Cc1cccc(CN2CCN(Cc3c(O)ccc4c3OC(=Cc3ccc(C)o3)C4=O)CC2)c1 2324195020 OXLATFUWMRGULP-UHFFFAOYSA-N 444.531 4.536 30 10 IJEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324505049 WTVFIFSCWZOCHZ-IBGZPJMESA-N 432.501 4.870 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 2325558943 SRYDTIFSMPPLGO-UHFFFAOYSA-N 433.460 4.726 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3)c2)c1 2325743699 GXLUDKALWXQABL-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2ccc[nH]2)cc1 2329961290 QHDBGNGREBMXTQ-UHFFFAOYSA-N 432.509 4.588 30 10 IJEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)c(O)c1 2330342504 JWKFXYLEOPYAMX-UHFFFAOYSA-N 440.525 4.655 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccnc2)cc1C 2330535899 BNUOMWQAKVUFOJ-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)cc1 2330970804 JGUNBQOVUSINSE-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2F)cc1 2331381077 GLVINCCOCAIEQI-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(F)cc1 2331636962 IJTRFMHMFSPDHN-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE C=CCC1([C@@H](NC)c2cc(Br)cc(COC)c2)CN(C(=O)OC(C)(C)C)C1 2362287230 AOGXEAFTBBPEFA-SFHVURJKSA-N 439.394 4.669 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)c2cc(Br)cc(OC3CC3)c2)C1 2362762510 FFOCVOZSEUWXRQ-GOSISDBHSA-N 437.378 4.851 30 10 IJEE C=CCN(CC[C@@H](CCc1ccc(OC)cc1Br)NC)C(=O)OC(C)(C)C 2364853605 NWEVRCNDOMYGGR-QGZVFWFLSA-N 441.410 4.792 30 10 IJEE CC(C)(C)C#CC[C@H](OCC(=O)O)c1sc(Cl)cc1I 2366710475 QCNYPKYIKQKNRZ-JTQLQIEISA-N 426.703 4.588 30 10 IJEE CCOc1ccc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3[N+](=O)[O-])cc2)cc1 12484402 QAUJVGJSUXELST-PXLXIMEGSA-N 425.466 4.545 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)cc2)NCCc2cccs2)n1 14159059 FASKENBPGXBEPK-UHFFFAOYSA-N 428.949 4.641 30 10 IJEE Fc1ccc(-c2nnc(CSc3n[nH]c(N/N=C/c4cccc5ccccc45)n3)o2)cc1 20905561 FGVXJJQDARKBBY-WYMPLXKRSA-N 445.483 4.885 30 10 IJEE C/C(=N\Nc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1cccs1 21083148 OYFQBQHZVTWYES-ZVHZXABRSA-N 436.566 4.976 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC)c(OC)c2)C3)cc1 21231979 WXSUJOMNBZYPTA-FPOVZHCZSA-N 449.547 4.887 30 10 IJEE COc1cccc(NC(=O)Nc2ccc(SC3=C(N)C(=O)c4ccccc4C3=O)cc2)c1 21348720 VKSGEOUUYYTSGL-UHFFFAOYSA-N 445.500 4.681 30 10 IJEE O=C(/C(=C(\S)NCCc1ccccc1)[n+]1ccccc1)c1cccc(Br)c1 22735130 LXXGMDQGKKOJRV-UHFFFAOYSA-O 440.386 4.508 30 10 IJEE COc1ccc(CN(C)C/C(O)=N/c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F 24953591 RBVPKYJFBVLJSR-UHFFFAOYSA-N 430.461 4.586 30 10 IJEE COc1cc([C@](C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C)ccc1O 32272342 WLKVZSXOMGNZLB-SANMLTNESA-N 440.584 4.790 30 10 IJEE endogenous,world CCOCCCn1c(O)c(C(=O)c2sc3cc(C)ccc3c2Cl)c(C)c(C#N)c1=O 38621148 AUCOZHZMMHBNAC-UHFFFAOYSA-N 444.940 4.568 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 39839981 DNYOYUUSXGXNGG-RDPSFJRHSA-N 445.515 4.699 30 10 IJEE C/C(=C1/S/C(=N/c2cccc(C(=O)O)c2)N(C)C1=O)c1ccc(Br)cc1 39866618 MNMAWANLAONZFK-DDRRTAJHSA-N 431.311 4.771 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NC)cc2)cc1 59928130 AIJMJGMUOUSQQL-UHFFFAOYSA-N 427.570 4.522 30 10 IJEE CCCCCOc1c(OC)cc(/C=N\n2c(S)nnc2-c2ccccc2)cc1[N+](=O)[O-] 169911955 QCENCARNVGDBPO-HMAPJEAMSA-N 441.513 4.602 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 169964531 DMDUAOPXSNFFHE-HSZRJFAPSA-N 447.462 4.709 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccnc2)c1 170000420 FLGRXSCIXFXGGV-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1 170048196 SZFRASNYMOPPJI-XMMPIXPASA-N 438.483 4.955 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170077877 KVPMFIIXYIMHGS-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)c1 170221513 FOQXBUQFEGAIGL-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170256806 NDMHNLFNCSSFML-NRFANRHFSA-N 431.469 4.978 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)cc1 170290504 TUOSSLIGLYSTKM-FQEVSTJZSA-N 425.387 4.739 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364670 MNFUTMISIKPLOA-FQEVSTJZSA-N 425.387 4.739 30 10 IJEE COc1ccc(/C=N/N=C2/S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)cc1OC 210524794 IQZGQXWPLDKIGU-WTGMLGSZSA-N 447.516 4.803 30 10 IJEE CSc1ccc(C=NNc2nc(-c3ccc(NC(=O)CCC(=O)O)cc3)cs2)cc1 254714806 CMVRVRWSRWZTAP-UHFFFAOYSA-N 440.550 4.781 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 460959387 NMMRFOOJHBBWHU-JOCHJYFZSA-N 441.535 4.997 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CCOC)Cc1scnc1C 460962600 ZKLOBSIWNLBFRD-UHFFFAOYSA-N 447.992 4.601 30 10 IJEE C=CCNc1ncc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)s1 512992805 OTWHFECLIYWIPV-INIZCTEOSA-N 429.590 4.657 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c2nccn2C)cc1 517530518 VEJNWTFTALOGEC-KKSFZXQISA-N 435.553 4.734 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 520139587 OMRCTZJZUJXGAC-DEOSSOPVSA-N 443.503 4.671 30 10 IJEE C=CCOc1cccc(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c1 525695821 BRGGDEKNTLOFCF-DEOSSOPVSA-N 443.515 4.812 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccncc2)cc1OC 526517564 SEPXCTKRJFWSPD-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 549677046 ODWTTWAEXBDJDN-IBGZPJMESA-N 433.512 4.668 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Cc3cccs3)CC2)c1 585822773 CCJWCFIJJSSHMY-UHFFFAOYSA-N 425.598 4.549 30 10 IJEE COc1ccc(OC)c(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 586211938 QWHMVNOACIKVDW-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE Cc1cc(-c2cc(C(=O)NCc3ccc(C#N)cc3F)c3cnn(C(C)C)c3n2)c(C)o1 609228724 DPQJLXYCFZRBLK-UHFFFAOYSA-N 431.471 4.830 30 10 IJEE N#Cc1cncc(COc2c(Br)cc(Br)cc2Br)c1 721603001 LLARGJANCIAIMC-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE O=C(O)c1ccccc1COc1cccc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)c1 731564750 RXORKRZUCPVDHU-NTMALXAHSA-N 443.377 4.979 30 10 IJEE CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(S(C)(=O)=O)cc1 754706847 RWLWFRBPRLASCC-UHFFFAOYSA-N 430.961 4.558 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)Nc3cc(C#N)ccn3)cs2)cc1 766957909 SRMLJHMTJKUXAN-UHFFFAOYSA-N 435.509 4.600 30 10 IJEE C=CC[C@]1(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)CCCN1C(=O)OC(C)(C)C 791714685 ANKZOQJPGAUJCX-QMHKHESXSA-N 427.501 4.687 30 10 IJEE Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC2(CC#N)CC2)cc1 797424457 HQUSYSVAEGGESR-HXUWFJFHSA-N 432.549 4.649 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)c3ccccc3COCc3ccccc3)CC2)c1 1126005308 HUIUDSJQYQYTSY-UHFFFAOYSA-N 426.516 4.959 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)c2C#N)[C@H](C)C1 1129334049 GDLVDMSTUMKSSD-HZPDHXFCSA-N 434.565 4.661 30 10 IJEE C#CCN(C(=O)CCCCc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1155366964 JGUDDCAFWLTUNX-UHFFFAOYSA-N 432.992 4.914 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(I)cc2)nc2ccccc21 1164498123 QLDJABCSIMLWEP-UHFFFAOYSA-N 434.302 4.802 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1C 1171840692 GQGFKDLSJIEDJW-UHFFFAOYSA-N 445.394 4.679 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1 1198243151 FXWJJGJULSTKMD-FQEVSTJZSA-N 433.549 4.541 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCc4c(Cl)ccc(Br)c4C3)C2=O)cc1 1198277660 FWJUHDAKJHHMRZ-FQEVSTJZSA-N 444.760 4.528 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 1199840927 HHZHGFCJOYGTPY-QFIPXVFZSA-N 433.552 4.790 30 10 IJEE CC(C)Oc1c(F)cc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1F 1203311027 GCZHSEZBASQAMH-UHFFFAOYSA-N 434.874 4.631 30 10 IJEE C[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)Sc1ccc(Br)cc1 1219069363 HYHZRQZTHNGBKL-QMMMGPOBSA-N 431.768 4.733 30 10 IJEE C=CCN(C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@H](C)COC 1221209728 RZPHZJSPPQZTED-QRWLVFNGSA-N 435.337 4.910 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 1222004285 DEZJYWUCSLIBFS-QZTJIDSGSA-N 447.366 4.752 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 1251218474 DCODHAIFLYAWFS-HNAYVOBHSA-N 427.358 4.737 30 10 IJEE CO[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)C1 1255601347 IOCBZOXELCLRQO-HBMCJLEFSA-N 437.565 4.523 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCCc1cccnc1)c1ccc2c(c1)OCO2 1264077711 MPHKKJAFVYKCME-UHFFFAOYSA-N 430.504 4.931 30 10 IJEE Cc1c(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnn1-c1ccccc1 1264095853 GQIJYGNRIVKATP-MRXNPFEDSA-N 433.581 4.841 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1286318895 ZMGBBTUHOHEXDR-GOSISDBHSA-N 430.955 4.794 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1286319914 ZGQIBAUTFJOHLU-UHFFFAOYSA-N 447.558 4.833 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1286535420 PFJRQKVGGJMCBC-VFNWGFHPSA-N 447.377 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(OC(F)F)c1 1286556369 CIXWGTXSGBQDSL-NQIIRXRSSA-N 434.531 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cc(Cl)ccc1OC 1286559179 UUUVDDVRCSDVSU-JTSKRJEESA-N 432.996 4.756 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1286662717 WGDDAVLTGUPHMI-FQEVSTJZSA-N 431.584 4.869 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1286678474 XPDLHBKHELUATC-FGZHOGPDSA-N 437.632 4.893 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@H](C)C1 1286701575 YSRGIJSSSGYXGO-OALUTQOASA-N 434.588 4.656 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1nc(C(F)(F)F)cs1 1286765940 LRWQPYSPYYBQRI-UHFFFAOYSA-N 439.507 4.828 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCc1sccc1C 1286766989 BELQQKVOENBIHS-UHFFFAOYSA-N 433.581 4.745 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1300367828 JZFFHVJIUPQAIY-UHFFFAOYSA-N 447.608 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)c1ncc(C)s1 1300591448 QCZGUYVHGPCCNN-HXUWFJFHSA-N 447.608 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCc1cccc(OCCC)c1 1300808112 RHAVUCORUUAKTI-RUZDIDTESA-N 449.624 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CCC1 1300868011 ATFZETZIUCAIRX-DYVFJYSZSA-N 437.407 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(C)CCOCC1 1300905745 VHLZMURVDDJDNC-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1301027697 VYQUBIRPBVQSOT-HNNXBMFYSA-N 435.384 4.895 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)=C(C)C1 1301042927 YVSXMUAXNQJFJD-UHFFFAOYSA-N 436.000 4.692 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1301057270 SUFZYFYJXXTNDQ-QHCPKHFHSA-N 428.964 4.945 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccco2)CC1 1301134271 HDHTVFDFSOVFEC-UHFFFAOYSA-N 443.345 4.663 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301203792 YHTHGDCQQITDLY-NZSAHSFTSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CC[S@@](=O)C(C)(C)C 1301364972 DDAZLTUDQRSJLB-GDLZYMKVSA-N 434.675 4.812 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@@H](F)C1 1301414588 FUEBVHYXJXSLFB-YQVWRLOYSA-N 432.609 4.908 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1301601995 WOSAEVLRLLAVNI-UXHICEINSA-N 427.643 4.846 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 1303046259 KNJMJEOUEMLNKF-XUJKWMDPSA-N 427.429 4.552 30 10 IJEE C=C(C)c1cccc(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)c1 1304717670 CUSSRWXNJLBLFL-IBGZPJMESA-N 447.398 4.972 30 10 IJEE C[C@H]1SCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)[C@@H]1C 1305250354 BJAZVLNLJINSAA-ZIAGYGMSSA-N 430.002 4.910 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)CC1 1310358311 NJEAUEONVWBACC-IYARVYRRSA-N 426.538 4.586 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1)c1ccncc1 1312018503 CFXLNFNDIGFOAS-LEWJYISDSA-N 442.604 4.815 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(Br)cc(F)c21)c1ccc(Cl)cc1F 1312936651 IZAMICQQJHBKJM-MRXNPFEDSA-N 425.660 4.827 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1cccs1 1358879860 ZMTNKPAXHYYLQE-GOSISDBHSA-N 432.549 4.879 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1ccc(OC)cc1 1358942039 HOKNEFYPUGRCPI-SFHVURJKSA-N 434.609 4.842 30 10 IJEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358945702 RBVJLZIDGUOYFW-LPHOPBHVSA-N 429.490 4.875 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCC1CCOCC1 1359000798 FDQSFXJMJDXKCS-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ncccc1C 1359003520 OBZMDQVVBQEUSI-UHFFFAOYSA-N 444.764 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359094266 YXKRFAYZNATOKK-AQNXPRMDSA-N 445.489 4.577 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC2(CCC2)C[C@@H]1CC 1359129940 SFVHFPLJLSOVBA-IBGZPJMESA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)CN2CCCC2)CC1 1359159887 HLWCZPXRIWKWJC-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1359178993 IUQFMCPMEPYNFQ-FQEVSTJZSA-N 431.625 4.526 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1359220397 XZLCRBKPHCCBGT-UHFFFAOYSA-N 425.602 4.807 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1CCN(CC)CC1 1359234513 RDPWHSJMJSOBOW-SFHVURJKSA-N 427.662 4.876 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ncccc1-c1ccccn1 1434999267 ZGMSFBRZPCGBFN-UHFFFAOYSA-N 426.289 4.874 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(-c2ccc(OC)cc2)nn1)c1ccc(C(F)(F)F)cc1 1435636224 YNQZLJHKUHBAQC-LJQANCHMSA-N 430.430 4.732 30 10 IJEE CCn1c(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)nc2cc(C#N)ccc21 1435767510 HPOZVDNZWIZAPQ-UHFFFAOYSA-N 428.414 4.788 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cccc(C#N)c1Br)c1ccccc1 1436896244 COGQQWNVMVFWTB-QGZVFWFLSA-N 444.329 4.915 30 10 IJEE C=CCC[C@@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)OCC 1449691355 FMIYHTVXZFWTMY-OAHLLOKOSA-N 427.353 4.674 30 10 IJEE C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1465223092 GXKPZSNNZADWQL-WMZOPIPTSA-N 436.512 4.720 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 1465312266 GCKQRSWYSSTKLV-LJQANCHMSA-N 441.959 4.552 30 10 IJEE C#CC[C@]1(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)CCCN1C(=O)OC(C)(C)C 1465639485 UWQHIRYSKAEHFD-RRPNLBNLSA-N 436.596 4.676 30 10 IJEE C#CC[C@@H](NC(=O)Nc1nc2ccc(I)cc2s1)c1ccccc1 1466260835 UGGRAPAWYHHTEB-CQSZACIVSA-N 447.301 4.787 30 10 IJEE C=CCCC[C@@H](NC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1ccccc1 1468642395 VOSSGGFGWIVQLD-XMMPIXPASA-N 438.591 4.864 30 10 IJEE C=CCn1c(SC(COC)COC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1472922208 MJDRUZNEMDHIKS-UHFFFAOYSA-N 434.558 4.512 30 10 IJEE N#Cc1ccccc1COc1cccc(CNC[C@H]2CSCCN2Cc2ccccc2)c1 1474110570 FBDBVRQAXQBQJB-SANMLTNESA-N 443.616 4.844 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 1476606221 ABNSLDXPONHOQL-GCJKJVERSA-N 425.579 4.886 30 10 IJEE C=CCCCCCCCNC(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 1478774324 YJSKITBQAWHPSD-UHFFFAOYSA-N 436.622 4.762 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1507606638 SIZXGMJAJWDSPH-DFBJGRDBSA-N 439.673 4.855 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1507757264 RHAXMCJTLZFAPT-HKUYNNGSSA-N 433.021 4.892 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1507814895 OZNSSLSSQNZLHT-TZIWHRDSSA-N 427.549 4.707 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC=CO2)CC1 1507877573 DCXZMPXIBRIZMC-INIZCTEOSA-N 433.325 4.696 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCCC2(F)F)CC1 1507892224 MMMWSEODUJEOAR-SFHVURJKSA-N 432.515 4.848 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)C(C)C 1507915051 SFCNDCGHRXHERQ-UHFFFAOYSA-N 436.604 4.902 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(Cn2cncn2)CC1 1507915752 YPAGAUDWIUEBGD-HSZRJFAPSA-N 447.631 4.930 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507938594 HFHXTDOLUZETKG-UHFFFAOYSA-N 436.507 4.522 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1ccncc1Cl 1508007761 GEBZMGDBMMHXQJ-IBGZPJMESA-N 441.938 4.601 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C1CC1)N(C)C 1508015464 XJAAGIQBYPZIHF-FXAWDEMLSA-N 425.646 4.650 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1508024893 MHKVEEUNGPXWBA-AREMUKBSSA-N 445.567 4.586 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc3c(c2)ncn3Cc2ccccc2OC)cc1 1520957638 DZIFLGXUJXCGJA-UHFFFAOYSA-N 427.504 4.588 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(Br)cc(F)c32)cc1OC 1521809840 HDTOBWVCILQRIA-FNORWQNLSA-N 432.289 4.764 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1522702900 VVEGCHBGEBYENS-KBMIEXCESA-N 445.604 4.857 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1OC 1523876673 AQDXYSSBDJNULT-CHFKYBQCSA-N 434.580 4.690 30 10 IJEE C#CCN(C(=O)c1ccc(N(C)CCC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1529627645 SSWCXOUFIVUUCS-OAQYLSRUSA-N 441.369 4.895 30 10 IJEE C=CC[C@H]1N(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CCCC1(C)C 1530837943 CYRFLJREPNVWQM-VQIMIIECSA-N 433.390 4.704 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 1538215403 TWGHSPOMHCMHSG-OOZJCBPQSA-N 438.955 4.616 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3c4ccccc4OCCN3C(=O)OC(C)(C)C)cc2n1 1538315597 GUDOQTXIVYLMDA-JOCHJYFZSA-N 448.523 4.532 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1CC 1539065972 OAVCLSXWUQVYTG-NJDAHSKKSA-N 443.636 4.821 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)cs1 1539723627 WAOBZHPRTYHGSH-SFHVURJKSA-N 431.606 4.933 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccnc2)n1Cc1ccc2c(c1)CCCN2C 1539945264 MMTVDDZQIJDGIW-UHFFFAOYSA-N 430.600 4.953 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN(C(C)=O)C1 1539945628 SEKXVKNJGRSWBJ-HXUWFJFHSA-N 427.568 4.525 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C1 1540089983 QFSIRHISEQOCDB-INIZCTEOSA-N 440.519 4.729 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OC)nc1 1540139646 CVOPKCVPRVVFCJ-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CC1(N2CCC(OC)CC2)CCCC1 1540148007 ZAQQVIDEZRAOFO-UHFFFAOYSA-N 443.661 4.518 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)c1 1540702526 QCFZUPKMMDHQMV-XMMPIXPASA-N 425.594 4.809 30 10 IJEE C[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1)N1CCCCC1 1541819246 ATVCNGBSRWIRMN-WOJBJXKFSA-N 432.572 4.872 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CC[C@@H](C)C2)cc1C 1542423851 ALEZSBPXPMXBHV-UTKZUKDTSA-N 434.588 4.714 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)C(F)(F)c3cc(Cl)ccc3Cl)CC2)nc1 1544925954 CVKJJXKNPNOCDP-UHFFFAOYSA-N 440.277 4.858 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1OC 1545599693 VSDGHBGYIRXQDI-MIJFHGAZSA-N 436.335 4.818 30 10 IJEE CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1547011047 HUMDLWJJJVXPKF-GOSISDBHSA-N 440.592 4.604 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 1583070445 KSMRBULNBPEMEP-XOBRGWDASA-N 425.342 4.523 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(I)ccc2N2CCCCC2)cc1 1586095144 SQFQRZZMIHEKNW-UHFFFAOYSA-N 430.289 4.515 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1587777362 BUIQRCBQAXYUNC-UHFFFAOYSA-N 448.592 4.539 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCSCC(F)(F)F 1588011468 BXHVQAPORMMBTI-UHFFFAOYSA-N 440.535 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCOC1CCCCC1 1588213999 FATJWTZTAPFHTO-UHFFFAOYSA-N 443.595 4.639 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1588844231 JFJJIRZGZNRWSY-OAHLLOKOSA-N 436.364 4.965 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCC)C1 1589516132 WZMFKNPMJQVYOG-UEXGIBASSA-N 430.980 4.585 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1csc(Br)c1 1589731318 IEECCXZKOLHELX-UHFFFAOYSA-N 448.346 4.890 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1594504286 NCBRBENLBRKTPA-UHFFFAOYSA-N 440.636 4.589 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1595116463 RZWILFJZBNWIFY-GOSISDBHSA-N 425.577 4.509 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1cccc(F)c1F 1595156587 NRKNYWOKJIBAMK-GOSISDBHSA-N 444.551 4.947 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nnc(C(C)(C)C)s1 1595223508 WSXAGSILVUWALQ-UHFFFAOYSA-N 443.020 4.898 30 10 IJEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1595595503 WUTQUTHHVKNVDB-IBGZPJMESA-N 441.645 4.586 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@@H]1C 1596789086 FMLVWDOOINWGKT-ILXRZTDVSA-N 434.357 4.879 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCCCCC1 1596797294 ADLUORVSVHMNID-GOSISDBHSA-N 441.645 4.957 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 1596802228 GUPFVYAZJDZXKJ-LJQANCHMSA-N 431.577 4.793 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 1596875098 VXJILNRZWJMKLS-GOSISDBHSA-N 432.314 4.824 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(F)cc1F 1597725429 FYTHGZSRVRQSDJ-TZIWHRDSSA-N 443.542 4.653 30 10 IJEE C=CCC[C@H](C(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1)c1ccccc1 1606838426 XPGLODUZSWDNEV-AWEZNQCLSA-N 442.279 4.757 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(Cl)s2)C1 1611768714 BEIFDQABDSBHAW-NRFANRHFSA-N 429.952 4.901 30 10 IJEE Cc1ccc(-c2nc(CCn3c(-c4ccc(C)o4)nnc3N(C)[C@H](C)CC#N)co2)cc1 1612008577 HFBNVTXDQXZIEG-QGZVFWFLSA-N 430.512 4.791 30 10 IJEE C=CCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 1614594281 GHSIWKKFNPOLNQ-ACOCPHQRSA-N 440.614 4.905 30 10 IJEE CN(C)c1ccc(/C=C2/S/C(=N/N=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 1615300570 LIKYMHUXRXYQDF-JVKKCDPRSA-N 430.533 4.852 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N 1616592257 DKONQBFKJASBFY-IBGZPJMESA-N 448.489 4.716 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1 1620299153 GIVIYXNDBWRKKE-WMZHIEFXSA-N 435.572 4.826 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc1 1622101801 SUTJFXPTCOQYSJ-WZONZLPQSA-N 436.618 4.557 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@H]2[C@H](O)c2ccccc2)s1 1631507222 CDWONQIMGCZPDE-FXAWDEMLSA-N 437.030 4.953 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)CN(C(=O)OC(C)(C)C)C1 1631869526 YTISLAHDRVBBTL-FQEVSTJZSA-N 438.572 4.533 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1633352059 QOFOHSIFBXVTJO-ZRBLBEILSA-N 439.600 4.820 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1 1639478471 LRDQTMYWKBEYKK-KSZLIROESA-N 447.000 4.838 30 10 IJEE C=CCn1c(SCc2ccc(OCC)cn2)nc2sc3c(c2c1=O)CCCCC3 1640568112 DZWZEQOATRFVTL-UHFFFAOYSA-N 427.595 4.999 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)Cc1ccc(OC)cc1 1641558187 RQRYCMZIAPFBPP-UHFFFAOYSA-N 432.549 4.927 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](c3ccccc3)C[C@H]2C)n(Cc2ccc(F)cc2)c1C 1652501025 CRPVKBQFULBKKC-WZONZLPQSA-N 444.554 4.981 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@@H](c3ccccc3)C3(CO)CCC3)c2C#N)C1 1653693475 AFXCXUOAONMVAV-SBUREZEXSA-N 437.609 4.567 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)cc1OCC 1656683955 LELNRZXYEGHKDB-JLTOFOAXSA-N 438.337 4.763 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCN(c3ccccc3)C2)cc1OC 1657242005 ZWKMEOGSIDXOEW-SFHVURJKSA-N 431.374 4.781 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(CC)o2)cc1 1658321212 SEURAQQXNHJTLR-DYESRHJHSA-N 445.585 4.654 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)c1 1669136686 BDQMMGQTFUDQNK-RPWUZVMVSA-N 434.584 4.564 30 10 IJEE C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C)CN1Cc1ccccc1 1669625712 AEPAFUWLGSMXNW-QZTJIDSGSA-N 448.958 4.524 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(Cn2ccnc2)c1 1670845476 PHQUDYRYEPMTKE-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N[C@H](CCO)c3ccccc3F)c2)cc1 1673452978 DVAKEVXLSSGFMC-XMMPIXPASA-N 433.483 4.716 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)c1ccc(Cl)cc1F 1674035944 HVDUIKWKDNBWMN-IGKWTDBASA-N 439.962 4.850 30 10 IJEE C[C@@H](NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1679047025 CRGJPKWJVVZDJV-WZONZLPQSA-N 448.567 4.985 30 10 IJEE C#CCC1(NC(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)CCCCC1 1679194020 ZUMGBPWMRWURDO-NRFANRHFSA-N 441.572 4.843 30 10 IJEE C#C[C@H](NC(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1683676258 KNWBCEQZCNWBOB-FQEVSTJZSA-N 448.007 4.987 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC(C)C)CC1 1689848952 DPAHZOLOYUZCSB-VQTJNVASSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1689875556 VUQZDCTZLNDIBE-OAQYLSRUSA-N 439.629 4.529 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1Cc1cccs1 1690228054 MIUJGHMLSQJFDY-WBVHZDCISA-N 437.407 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1 1690252314 CDBJPRIJKNNDPR-NRYAXDJKSA-N 447.539 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC=CCC1 1690262578 GFYWGUVTYYERSS-HXUWFJFHSA-N 446.599 4.824 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCc2ccc(Br)cc2C1 1690311381 JEGJQYAXDJHDRR-UHFFFAOYSA-N 445.405 4.854 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1690328307 JKDOMTUYYUCAAF-QTXGHNMQSA-N 438.016 4.911 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCCN2CC)CC1 1690404897 WZXYAWUICCUSRP-HXUWFJFHSA-N 444.023 4.884 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@@H](COC)C1 1690475193 INQVPGGYXWHLSA-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690737565 PYGYZEZXIAMAJH-QGZVFWFLSA-N 444.992 4.593 30 10 IJEE Cc1cccc(C)c1OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1693182435 FDEZLSUMIGXWEJ-KCZVDYSFSA-N 439.604 4.631 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN(C)C1CCCCC1 1694657594 CPTOKZDKYQKVLF-UHFFFAOYSA-N 432.616 4.660 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCC2(C)C)c1 1697304104 GEVZIAMCSAXGSH-FQEVSTJZSA-N 437.588 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCCN1CCCC1 1705481311 DQTXXVUIMIOIMM-PMACEKPBSA-N 439.673 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccco1)N(CC)CC 1705486157 YAEVMFKEAZAKJZ-XXBNENTESA-N 442.567 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCCN1CCCC[C@H]1C 1705502954 LJYQYHFJVHGURI-DHIUTWEWSA-N 437.632 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC1CCN(CCC(C)C)CC1 1705673714 JKRLVPDHJGCUQZ-HHHXNRCGSA-N 449.643 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1705674560 LWYKCWSDFXGPCA-YIXXDRMTSA-N 449.643 4.705 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(C)cs1 1705696559 ORDFZTRVPICYTO-YLJYHZDGSA-N 444.004 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)Cc1ccccc1 1705720628 KMSBBRCQFWJMBF-DHIUTWEWSA-N 439.648 4.731 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1705722201 ALATZCCGLBJZJS-UHFFFAOYSA-N 448.346 4.890 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCCC[C@@H]2CC)CC1 1705770225 WHLHONQPJNJBJL-QFIPXVFZSA-N 428.024 4.943 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(Oc2ncccc2F)CC1)c1ccccc1 1705796717 JFPUEZWTMHPQOM-FQEVSTJZSA-N 435.547 4.782 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1705798202 MQMRWGPUZLPRHR-OZXSUGGESA-N 438.616 4.915 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nnc1C(C)(C)C 1705802884 YHHBDONBAIGJFT-UHFFFAOYSA-N 429.653 4.797 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1705812471 ATWKZWFNJJHRDG-KRWDZBQOSA-N 445.995 4.916 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705823241 GFIYMHMHXRXYAT-LJQANCHMSA-N 438.601 4.620 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705887328 ZCHCCYGAZHWDCV-NLWGTHIKSA-N 430.980 4.880 30 10 IJEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C(C)C 1710238133 AZZWPHRXAUPRJZ-OAQYLSRUSA-N 434.613 4.778 30 10 IJEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC)CCc1cccs1 1722336208 JVCCCJBTXMJSOD-UHFFFAOYSA-N 446.580 4.528 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)C1 1722492514 SYFRHZUIFCNARM-ZJOUEHCJSA-N 446.542 4.862 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(C)cc2C)CC1 1722579140 KWDQAWADUXTVOS-UHFFFAOYSA-N 449.624 4.532 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CCSCC(F)(F)F)CC1 1722579264 MDYLVBZVQASZDX-UHFFFAOYSA-N 449.546 4.979 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC(C)(C)C1 1722623401 DNMAWSNDSNHEHG-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCO[C@H](C)C1 1722652397 FDWZQIIRGPSFGM-WOJBJXKFSA-N 435.572 4.680 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 1722704423 HSTUKBLBRIPLAT-UHFFFAOYSA-N 426.605 4.874 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cscc2C)C1 1722720641 NNVQJVWHJNQXSB-NRFANRHFSA-N 438.597 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccnc(SC)c1 1740558492 VZFLOTVMDGNEFW-SFHVURJKSA-N 449.624 4.778 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCC1CC1 1740574607 HJFGHWRJZMHNBP-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCSCC(F)(F)F 1740648450 HIUKFQRNDACHTI-IBGZPJMESA-N 434.531 4.578 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1740721271 DFXRTOQBGUNNRU-VXKWHMMOSA-N 438.641 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1740733382 BWNJGLOYXJSDAQ-VMODYCNZSA-N 449.643 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)CCC 1740757779 XJUNHZXIKRZMCW-LEDOBFOHSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1740827404 VKYDTHCHDXEMJI-QFIPXVFZSA-N 436.629 4.565 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](c2ccco2)N(C)C)CC1 1740827850 MUGJWUTUROMMQZ-OAQYLSRUSA-N 435.572 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](OC)C1 1740845381 MXFZLZWXNZDUOW-LJQANCHMSA-N 428.577 4.568 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740862225 NPCYBPYONCIVJH-HSZRJFAPSA-N 433.556 4.591 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCC([C@H]3CCOC3)CC2)nnc1C(C)(C)C)C(C)C 1740926800 LDTFSGDNIBENNT-GOTSBHOMSA-N 443.680 4.527 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCCS2)C1 1740984517 CYAYQAVLEQRQRR-TZIWHRDSSA-N 444.670 4.946 30 10 IJEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@H](C)C1 1742068587 AMKMBWZJIIIRCY-VQIMIIECSA-N 436.585 4.566 30 10 IJEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2cccs2)o1 1744450401 CUEVFJWNMRSEEP-MRXNPFEDSA-N 432.553 4.983 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCSC1(C)C 1748777297 HCMIXTONYYJXHJ-INIZCTEOSA-N 433.419 4.617 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CC[C@@H](C)C1 1748867249 DLGHSAYNYHJGEP-BHIFYINESA-N 434.584 4.716 30 10 IJEE C=C(Br)Cn1c(CC)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1749103575 CCCCZGLREKITDY-AWEZNQCLSA-N 446.162 4.659 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1749110388 LRVWKASQWMCNLA-MRXNPFEDSA-N 435.341 4.697 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)CC#N 1749213381 JNYAOBYCHIKPEH-LJQANCHMSA-N 432.572 4.684 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CC(F)(F)CO2)CC1 1749329547 OUPMHQIUTPJMGL-AZUAARDMSA-N 446.542 4.862 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1ncc(CC)s1 1749466764 XYLFOIUCMGUQQB-OAHLLOKOSA-N 431.993 4.955 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC 1749539127 UJHJWUPMURPIIN-OAQYLSRUSA-N 439.604 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1CC 1749553815 MCKUWRHOEQOKHJ-OAQYLSRUSA-N 439.604 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC)CC1 1749573319 OBZDPKIQPIHPGU-UHFFFAOYSA-N 432.572 4.605 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCS1 1751247349 AEKBMLFYIPRUCG-OXJNMPFZSA-N 429.565 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CC(F)(F)C1 1760124032 NRIJVDSPPQQVGC-LBPRGKRZSA-N 429.298 4.667 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1760277397 JEJKGOURIWBRER-WOJBJXKFSA-N 426.630 4.829 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760325779 SNPHYBIQXDLVHX-XJUOHMSHSA-N 430.637 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(OC)OC)c1 1760330937 HAIJOHQBSSYQRU-UHFFFAOYSA-N 441.963 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCSc1nccs1 1760331207 FEPVJHXKQHNZCU-UHFFFAOYSA-N 443.598 4.715 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H](C)CCSC 1760342995 SSQCTWBDSFFATP-AWEZNQCLSA-N 439.423 4.870 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)CCCCC)CC1 1760344136 ZLYMGIRHLMLHFH-UHFFFAOYSA-N 429.996 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1760408989 VXVKNJWXJNLBDV-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1760411813 DBWPMXZSOQTEMA-RTWAWAEBSA-N 426.580 4.983 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760424463 INXSOBXSHAIWME-KNQAVFIVSA-N 444.023 4.502 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCSC[C@H]1C 1760432976 XUEAXHIYSYSUQY-CYBMUJFWSA-N 425.371 4.755 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@H](OC)C1 1760446089 HDIWFWPTEKPONG-CMKODMSKSA-N 444.645 4.585 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CC(F)(F)CO1 1760456833 YELOXCONRYPXHH-WBVHZDCISA-N 440.922 4.735 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1760480727 CYPVPHGLZKVXGQ-XMMPIXPASA-N 441.583 4.706 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(Oc2ccccc2F)c1 1760492898 KPQRSZBFFUCJIB-UHFFFAOYSA-N 430.487 4.826 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(CC)c1 1760499685 GMFKQHHACHAFJC-UHFFFAOYSA-N 436.947 4.691 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(F)(F)F 1760560583 ZERWGIBDTQPZSM-INIZCTEOSA-N 428.524 4.953 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1767515530 AVMMERNVYOIBHP-VXKWHMMOSA-N 434.632 4.810 30 10 IJEE COc1ccccc1/C=C1/SC(=NN=Cc2ccccc2O)N(Cc2ccco2)C1=O 1772757935 VNSKGZIZNPEEIJ-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860132302 FSAYVZYXZUGMFX-QGZVFWFLSA-N 429.476 4.615 30 10 IJEE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=N/NC(=S)NC1CCCC1 1860499048 FWQIZQZGLIENFH-LIMNOBDPSA-N 431.915 4.871 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)c1 1860726574 UQDBTVFFYWEFRY-CSKARUKUSA-N 448.288 4.766 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2cccc(Br)c2)cc1OCC 1860729108 WYABFMURYUVPHG-CSKARUKUSA-N 432.314 4.858 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCO)cc1 1862380592 HCWCDEXSEHRBPU-IBGZPJMESA-N 434.319 4.687 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431463 HVBOWHXYNNTMLL-KXBFYZLASA-N 432.303 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862445104 OLAUPBVHABVWKI-FQEVSTJZSA-N 427.884 4.662 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862459753 NZLWQDMEEDSKQJ-HXUWFJFHSA-N 433.426 4.737 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2c(F)cccc2Cl)cc1 1862480714 MREQSARCBCNZQW-QRWLVFNGSA-N 429.875 4.545 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862556510 YHNGSHALPZMXSP-HSZRJFAPSA-N 430.479 4.749 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862584409 YBVCEHKTFFMBJP-SFHVURJKSA-N 436.291 4.783 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591652 LNGRAIIICHGJPA-JOCHJYFZSA-N 449.890 4.703 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862598556 XEDQHOSQLKPFOU-QHCPKHFHSA-N 447.462 4.709 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1OCC 1862602198 WSKHBNTUBQVFBR-OYHNWAKOSA-N 439.508 4.566 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(F)cc2F)C1=O 1863661632 PWIMDHQMHSRHCX-UHFFFAOYSA-N 436.543 4.810 30 10 IJEE C=CCNC1=C(c2ccc(F)c(C)c2)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1863792093 DGSVRXIPHTZSQH-UHFFFAOYSA-N 426.491 4.779 30 10 IJEE C[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866771276 GDOWJTINJMRPRZ-HJPURHCSSA-N 433.458 4.502 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871002634 RCPKQQZUMQHTLQ-UHFFFAOYSA-N 442.899 4.567 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1871006467 HYTFJHGJFSLIEU-UHFFFAOYSA-N 434.511 4.839 30 10 IJEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CNc1ccc(CCCC)cc1 1871200133 JOIWBQFZOJANAL-UHFFFAOYSA-N 426.557 4.711 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871374210 XUXPCOAUSQPCEW-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3CCO)C2=O)c2ccccc21 1871396057 KPTJAFWGZUNHHK-QETRNLNESA-N 446.547 4.720 30 10 IJEE CCCCN(CCO)Cc1c(O)ccc2c1O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871397816 QVKAVBDMDPDYLC-IWIPYMOSSA-N 434.536 4.577 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871401198 WFGBDCMRTZDBAS-VRHSPDTKSA-N 433.435 4.857 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2C1=O 1871436332 VPFIFVIWLCNHMU-ACMDDDSKSA-N 440.455 4.589 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1871791541 DYXXYSGNPFTPOV-SFHVURJKSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871966257 LNYKHSFQTQWSSJ-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)CCC 1872010433 PAFKGOLKCVRDHD-HXUWFJFHSA-N 440.675 4.662 30 10 IJEE Cc1ccc(/C=N/n2c(COc3ccc(C)cc3C(C)(C)C)nnc2SCCO)cc1 1874203520 GBUODJNUQLOAJN-MFKUBSTISA-N 438.597 4.738 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874256261 RBQZQVIBHTYYDJ-YDZHTSKRSA-N 437.525 4.851 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874279321 FOAWDVWHIPNYLA-OEAKJJBVSA-N 426.929 4.575 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874279963 WLKNCKIJZPNXHT-LFVJCYFKSA-N 425.989 4.943 30 10 IJEE CCCOc1ccccc1/C=N/n1c(Cc2ccc(C)c(C)c2)nnc1SCCCO 1874358823 BDQFTRYBANUEAI-KOEQRZSOSA-N 438.597 4.631 30 10 IJEE Oc1nc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc[nH]2)nc2ccccc12 1874409149 IBVYEKKPJNXACT-AFUMVMLFSA-N 447.568 4.552 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccc(O)c2)cc1 1874421632 WBEUZKPCXPTRDO-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1O 1874446134 UDNIADDMCHMYSQ-KCDOPAPYSA-N 444.944 4.672 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2F)cc1 1874454438 LUVYWKCWZKTCKN-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE CCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 1874528561 QCJPZIBIAOVLDB-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OC 1874613976 XFXKIVKMZVZVTP-IZZDOVSWSA-N 431.916 4.548 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OCC 1874636397 YSYWBRVVXQEION-RMKNXTFCSA-N 431.916 4.548 30 10 IJEE CCCCCCCCC(=O)Nc1ccc(C(=O)CCN2CCC3(CC2)OCCO3)cc1 1874757410 SRVOAWKEXRJUCG-UHFFFAOYSA-N 430.589 4.787 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(C)c3Br)cc21 1890478080 DALNFXQIQQNALH-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(O)c1cccc(NC(=O)OC(C)(C)C)c1 1922078364 WDYHAILRSPGBPO-OZXSUGGESA-N 440.584 4.992 30 10 IJEE COCCCN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)c2ccsc12 2052608014 DBMOSVWUYAKILX-UHFFFAOYSA-N 438.402 4.639 30 10 IJEE Cc1nn(-c2ccc(F)c(C(F)(F)F)c2)c(I)c1C(F)(F)F 2079671161 VDUKDZALGUFSMS-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CC[C@@H](c1ccc(OC)c(C)c1)n1nc(C(C)(C)C)c(C#N)c1I 2079999020 FZBVCOJSPRIJJC-HNNXBMFYSA-N 437.325 4.973 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(Cc2cc(F)cc(C(F)(F)F)c2)c1Br 2080184621 UQXHSWUJFLIEKB-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1F 2102877179 GAWMYBAXOPIUKX-WMZOPIPTSA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Nc3ccc(C#N)c(Br)c3F)C[C@H]2C1 2162386129 YFFXFSKPTGKMHS-SOUVJXGZSA-N 438.341 4.907 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2174628664 BSAOTIBSFRGHCB-JVPBZIDWSA-N 434.378 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2C#N)CC1 2181107398 HUSMIBWDKIBWDB-CJNGLKHVSA-N 436.350 4.733 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2ccc(Br)cc2Cl)CC1 2201804313 AVPUQBLDYZSCDA-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1CCC 2224251586 YBJKPSRJNWAHRS-WMLDXEAASA-N 429.403 4.566 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@@H](N)C#Cc1ccccc1Br)C1CCCC1 2235717589 BOSAMNDKQLHTFD-MOPGFXCFSA-N 435.406 4.849 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1C#N 2243924197 CRUJWMVKRYRFIB-WDNCENIBSA-N 445.563 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@H](CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C)NCCC 2250542081 DVXKJSRIQOFMAK-PKTZIBPZSA-N 432.605 4.544 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(F)c(F)c(Br)c(F)c1F 2256019825 GHLRKCOZBTUVQN-WJWGPLDTSA-N 428.220 4.508 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2267001958 SCJWNJWRLTVTNU-DXBBTUNJSA-N 439.405 4.845 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3CN(Cc4ccccc4)C4(CCCC4)C3)CCC2)OC1(C)C 2267461799 SVZBAXHNQSBQNI-NRFANRHFSA-N 438.421 4.706 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CC[C@]1(C)CCOCc1ccccc1 2282119609 UVDMQKRWNRFHRE-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(c2c(Br)cccc2C#N)CC1 2285222743 NBGVWHBMAGFFEI-CQSZACIVSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCCC2)c2c(Br)cccc2C#N)C1 2285223831 DFTDWHBGONURCC-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4ccccc4C#N)o3)C2=O)c1 2293794981 YGOKKWDZAPQKSM-UHFFFAOYSA-N 443.484 4.802 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cccc(OC)c2OC)C1=O 2294017455 SOVYYAJMOGUKRT-UHFFFAOYSA-N 425.506 4.556 30 10 IJEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C)cc1O 2295203785 BLZPHAJBLNKRBV-UHFFFAOYSA-N 427.551 4.703 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2296224996 PYLWEZJOYSEAKD-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](F)[C@@H](C)CNC(=O)OC(C)(C)C 2296278910 JIZCJUHJJXAESZ-KFKAGJAMSA-N 441.385 4.668 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2296285429 AODRRCLINVLYOB-PGRDOPGGSA-N 435.406 4.862 30 10 IJEE CCOc1cc(C=C2Sc3ccccc3C2=O)cc(Br)c1OCC(=O)O 2297306776 YAJBDYJTEMAQBU-UHFFFAOYSA-N 435.295 4.641 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(NC1CC1)[C@H]1CC1(C)C)Cc1ccccc1 2318399754 TWWZRXSBRDTFET-XTEPFMGCSA-N 430.640 4.681 30 10 IJEE N[C@H](C#CC1[C@@H]2COC[C@@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319048753 VYDSSVWVMPITHC-KKUQBAQOSA-N 425.528 4.740 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2319210981 AKNNZAHDBJUDRL-XPNTWCBSSA-N 447.572 4.703 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 2321248606 PVOPOIISCMLMPK-UHFFFAOYSA-N 437.569 4.687 30 10 IJEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cc(OC)c(OC)c(OC)c1)C3=O 2322040204 KCMISXHAPPDJAZ-UHFFFAOYSA-N 439.508 4.589 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N(CC)CC)c(OCC)c1 2322910796 FGJPHRMQOZODAC-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE CCOc1c(Cl)cc(C=NNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2323352643 XADQVARHDZGBDR-UHFFFAOYSA-N 438.977 4.666 30 10 IJEE CCCCCCOc1ccccc1C(=O)C=Nn1c(S)nnc1COc1ccccc1 2323557664 OLXLGFVQCPJQNK-UHFFFAOYSA-N 438.553 4.822 30 10 IJEE CCCCCCOc1c(OC)cc(C=NNC(=S)NCc2ccccc2)cc1[N+](=O)[O-] 2323842661 GMWJDBJDAJLZBE-UHFFFAOYSA-N 444.557 4.561 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c(OC)c1 2324946047 JVNFSHZJKOLNGZ-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)cc1 2325357754 HAAYQOKNZGOERW-UHFFFAOYSA-N 425.440 4.849 30 10 IJEE CCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(Br)cc1 2326618467 UAGOUQOAEJKWLT-UHFFFAOYSA-N 431.359 4.922 30 10 IJEE CCOc1cc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)ccc1O 2326870971 ZRKABDGTXXJFNT-UHFFFAOYSA-N 426.586 4.745 30 10 IJEE CCOc1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 2329672135 ASVCYWIYVXQNJQ-ISKFKSNPSA-N 449.595 4.907 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@@H]1CCCO1 2330935339 ZHTNVJJXDANXFG-SFHVURJKSA-N 432.908 4.802 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1OC 2331611831 LEOGHBZGAJOVGV-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)N(CCC)CCC)nnc1C(C)C 2331707171 RCWWBMFBQVKLLU-UHFFFAOYSA-N 443.617 4.589 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)CCOC 2331854544 MRVSBBQAPFBAQG-UHFFFAOYSA-N 438.520 4.887 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1cnccn1 2331871035 IBDZUNZQINCYKK-UHFFFAOYSA-N 440.455 4.762 30 10 IJEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)C(=Cc2ccccc2)c2ccccc2)cc1 2332188588 QFZQAYDUGXIGKG-UHFFFAOYSA-N 435.487 4.717 30 10 IJEE CCC1(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339585183 LKJXZHIYZKNOFA-UHFFFAOYSA-N 443.397 4.785 30 10 IJEE C#CC[C@@H](CN(C)Cc1ccc(I)c(Br)c1)C1CC1 2349823944 HKDOOOGJUXKIKR-AWEZNQCLSA-N 432.143 4.535 30 10 IJEE C=CC[C@@H](Oc1ccnc2cc(Br)cnc12)[C@H]1CCN1C(=O)OC(C)(C)C 2361018980 SCJSEEFMOGZDQM-HZPDHXFCSA-N 434.334 4.725 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(Br)cc(COC)c2)C1 2362283218 XERQXUOZDZZRFF-SFHVURJKSA-N 439.394 4.717 30 10 IJEE C=CCCC1([C@@H](N)c2cc(Br)cc(COC)c2)CN(C(=O)OC(C)(C)C)C1 2362293553 FSBJERMQYUJTED-SFHVURJKSA-N 439.394 4.799 30 10 IJEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1OC 20882698 LLQODXGOOJVYRN-CTNGQTDRSA-N 449.547 4.743 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3cc(Cl)ccc3C)n[nH]2)cc1 20908127 NFTQBAINURSYGM-WSDLNYQXSA-N 428.949 4.642 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2C)Nc2cc(C)cc(C)c2)c1C 32973379 MTLMQOORLHGHOA-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE Cc1cc(Br)cc2c1N(Cc1ccc(OCCC(C)C)cc1)C(=O)/C2=N\O 39854016 QCNCPUZCOLLAAY-NMWGTECJSA-N 431.330 4.908 30 10 IJEE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825204 KTZQKIDVLUMTJM-LGUFXXKBSA-N 432.549 4.892 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(Cc1ccc3c(c1)OCO3)CO2 41644455 KBYHUVIBDGSHPT-AQHIEDMUSA-N 445.446 4.831 30 10 IJEE C=CCOc1cccc(NCC(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1 66064683 YUDPFJUPKYDZJB-IBGZPJMESA-N 429.520 4.793 30 10 IJEE CCOC(=O)[C@H]1CCCN(c2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)C1 96454602 MEUVUWATUXIWBP-KRWDZBQOSA-N 438.597 4.814 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(Br)cc3)S2)c(C)c1 100263480 YZPVDJHWMVDBPQ-WXVFVKJXSA-N 446.370 4.656 30 10 IJEE CC(C)c1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 102542988 QQEIPOQGYBWRJJ-FEYWKWKCSA-N 429.520 4.519 30 10 IJEE O=C1/C(=C\Nc2ccc(F)cc2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 105337696 HRGAQFYMZGSBIY-WOJGMQOQSA-N 432.473 4.513 30 10 IJEE CCCCCCOc1c(OC)cc(/C=N\n2c(SC)nnc2C(C)C)cc1[N+](=O)[O-] 169915741 DIHPXZDJRUMMQJ-BKUYFWCQSA-N 435.550 4.882 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(O)cc2)s1 169958735 FXFGAELOEZAAAH-SFHVURJKSA-N 442.443 4.527 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccn1)c1ccc(F)cc1 169993180 VXJBZRURVYRKJZ-LJQANCHMSA-N 426.806 4.796 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccn2)cc1C 169998397 UTESOAMLOXUXFK-HSZRJFAPSA-N 430.479 4.659 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 170009420 KPTDKIHLEBYLCA-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)cc1 170049693 QYWVGVRYIVRHMA-HSZRJFAPSA-N 427.456 4.549 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2C2CCCC2)c1 170121282 UCGFYBIZHAFUQV-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(C)c2)cc1Cl 170139795 BGKVQXNDXQFHGT-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2c2ccccc2)c1 170141691 QGBIKBJAICPHHZ-XMMPIXPASA-N 440.499 4.607 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1Cl 170163157 JJPAGGAWTILHAC-LJQANCHMSA-N 440.908 4.584 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)cc1 170200059 DNWFCTXPFHWLGS-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)c1 170223751 WNEIWYVNMOKGPP-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccccc1 170231634 MLNGZSJIBGGFOW-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(F)cc1 170242663 ACZOHFIFWDNGCY-HXUWFJFHSA-N 443.858 4.840 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)c1 170289811 LPXOWLSQCCGVFM-HXUWFJFHSA-N 434.835 4.596 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccco1 170292219 PNUOOZUVFISXGF-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(C)o2)c1 170299373 GHUIEZNEBUPVSW-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)ccc1OC 170441155 BHJAWOKMHHUDEX-QHCPKHFHSA-N 439.508 4.623 30 10 IJEE O=c1c(Cl)c(N(Cc2ccccc2)N=Cc2ccccc2)cnn1Cc1ccccc1 252628664 SVFNCNCJOLRTLD-UHFFFAOYSA-N 428.923 4.986 30 10 IJEE COc1ccc(/C=C/C(=O)N=C2N=C3C=CC(Cl)=CN3Cc3ccccc32)cc1OC 252679889 SPTVYGXYUUPJLJ-DDVIHZGXSA-N 433.895 4.555 30 10 IJEE CC(=N/N=C1/N=C(O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccccc1 254307456 DZIYYRAVMRZDTD-MRXNPFEDSA-N 434.443 4.886 30 10 IJEE COc1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccc(OC)cc3)n2)cc1 254633049 ODZWDSQNOVULEB-UHFFFAOYSA-N 441.495 4.822 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCN[C@@H]2CCC[C@@H]2C/N=C(/O)OC(C)(C)C)C1 328580920 URAAMMXPCJSXOT-GUDVDZBRSA-N 425.614 4.511 30 10 IJEE O=C(Nc1ccc(C(F)(F)F)nn1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 471934302 BIIIAQVBJGCPQW-NSHDSACASA-N 432.246 4.939 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(OCCN2CCOCC2)c1 475555800 YHRWKEXFNVOBHB-UHFFFAOYSA-N 437.584 4.571 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 481523377 SHRVPZCKHSVZFB-HSZRJFAPSA-N 444.556 4.771 30 10 IJEE C=CCn1c(SCCCc2nc(-c3ccncc3)no2)nnc1-c1cccc(Cl)c1 489636944 IFGKMKRMRXWDOY-UHFFFAOYSA-N 438.944 4.954 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CNCCC(=O)OC 504294489 YZOYYAGAGOZILB-FVCMEMMDSA-N 445.600 4.817 30 10 IJEE biogenic C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508463587 HWHSDBORAIESPD-PKOBYXMFSA-N 432.503 4.544 30 10 IJEE C=CCCCN(C)C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 522951117 KXXUYKCAFZDGDB-RDGATRHJSA-N 436.552 4.613 30 10 IJEE COc1cc(C#N)ccc1OCCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 525335315 MDQODNKILUHHEJ-UHFFFAOYSA-N 437.908 4.738 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OCC)c1OC 526802582 HKDUSBCEHDSFKD-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC)c(O)c1Cl 526819587 YRUMBRBGGUYCCL-KSEXSDGBSA-N 430.961 4.999 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 534214367 LCHZHLPWJXGBBZ-UHFFFAOYSA-N 442.484 4.757 30 10 IJEE C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541069125 SUNZSRQHUIHZEH-BVZFJXPGSA-N 439.515 4.834 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 555254172 BCUWIQPEZUQDLU-VXKWHMMOSA-N 434.588 4.957 30 10 IJEE CCCCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC(C)C)cc1OC 559076481 LNXMPMRBEQRNQJ-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 562754701 GEALJEQRBDOUHH-HXUWFJFHSA-N 446.473 4.829 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 590645343 SXDLYYRCUVSDHK-SFHVURJKSA-N 437.477 4.735 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2oc3ccccc3c2C)C1=O 734300125 LXYQIPDOEUPKCX-OAQYLSRUSA-N 435.549 4.626 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ncc(Br)cc1Br 758848269 MGYRINLETDPAIK-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE C#CCOc1ccccc1-c1noc([C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)n1 809395564 MXFXUVUAMKKWLZ-FCEUIQTBSA-N 427.504 4.895 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)CCSc1ccnc2cc(Cl)ccc12 1124583098 GKMXUYMYTDKAPO-UHFFFAOYSA-N 425.941 4.925 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1 1128193416 JWOJMTVZHQAQDJ-UHFFFAOYSA-N 439.899 4.971 30 10 IJEE C#C[C@H](NC(=O)CSc1cccc(Br)c1)c1ccc(Br)cc1 1129730983 OZFHXIFKWDQBLQ-INIZCTEOSA-N 439.172 4.794 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 1135862431 OAAHFXJQVLRYDK-AZUAARDMSA-N 436.980 4.959 30 10 IJEE C=CCCC[C@H](C(=O)N1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1153975897 KRKYJSISSZEVTQ-WDZJFXIESA-N 442.600 4.753 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)cc1OC 1160190665 KGLRRQIUSMLIIJ-BENRWUELSA-N 444.572 4.521 30 10 IJEE Cc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccc1OCCN(C)C 1161283217 BNXPQAKVEUHGAG-UHFFFAOYSA-N 429.520 4.638 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1ncc(Br)cn1 1165889145 KOWMOTMREQLMNL-CQSZACIVSA-N 446.374 4.757 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CCCCC1 1205652710 LXQLRMDAWJKVKD-UHFFFAOYSA-N 425.554 4.644 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)cc1Oc1ccc(C)cc1)[C@H]1CCCO1 1219570780 WQEHXRWXFGYHNV-PKOBYXMFSA-N 429.314 4.852 30 10 IJEE C=CCc1cc(C(=O)N(CCC)[C@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC 1264885784 BFYVFSJNJSYPOB-DEOSSOPVSA-N 436.596 4.949 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2(CC)CC2)c1 1265636686 PFGCNXIUXJOJSF-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE CN(C)c1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc(C(F)(F)F)c1 1266542741 HWBNAKBNDGJIQY-UHFFFAOYSA-N 433.821 4.734 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(SC(C)(C)C)c(F)c2)ccc1F 1273994594 NLPVUVSGNMFSPU-UHFFFAOYSA-N 440.537 4.572 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1286280754 BTZYBWKMMHOROB-KURKYZTESA-N 446.014 4.952 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1286379929 FOKFPRIVMWDWKR-NRFANRHFSA-N 446.064 4.804 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@@H]1CC 1286405930 NJXPTQOTKDVHKC-AZUAARDMSA-N 439.401 4.915 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1286501089 MEGPEINTRKUXLE-ICSRJNTNSA-N 442.629 4.732 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCCCC[C@H]21 1286608910 VIZYWMHKJIBACT-PGRDOPGGSA-N 430.543 4.899 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCN2CCC)CC1 1286650948 MXDFLVWSPFBLRN-YPAWHYETSA-N 429.653 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1286671102 RCNIKMFLAVVQNH-RBUKOAKNSA-N 448.615 4.760 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1286694814 YHPHCKBJEVWXPB-INIZCTEOSA-N 433.394 4.986 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@](O)(c1ccccc1)C(F)(F)F)C1CC1 1286737594 ROONTMJDTVQRKM-NRFANRHFSA-N 448.514 4.535 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H]1CCCCN1CCC 1286741475 HRHMOYDOFRDFQO-XMMPIXPASA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCCC1 1286748492 WVHZYLOVCNQNAV-UHFFFAOYSA-N 425.602 4.975 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1CC1(C)CCOCC1 1286762842 NTKYWLDYKIANBY-UHFFFAOYSA-N 436.625 4.982 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)CC[C@H]1C 1286798331 GSGUMANIIFMNDT-ZWKOTPCHSA-N 437.613 4.872 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2=CCCCC2)C1 1286800350 JWWYYRUNEFDKAX-ICSRJNTNSA-N 426.536 4.839 30 10 IJEE C=C(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c1 1289567060 LWMSCYYEOCRNMJ-UHFFFAOYSA-N 440.609 4.993 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 1294180635 LROUBXDSTDTFDE-QHCPKHFHSA-N 434.486 4.817 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(SC)CCC1 1300275537 WAGYQENURCVCHA-MSOLQXFVSA-N 428.602 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCCC[C@H]1C 1300276059 GAJXMXZVALBNMX-RBUKOAKNSA-N 445.558 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1300298701 GWRQQWOEJFGYFC-UFYCRDLUSA-N 432.616 4.641 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCC[C@@H]1OC 1300591371 OWYYMJSLJVTXIA-UPVQGACJSA-N 448.611 4.567 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1300858574 OYWXBKVSYUGPLJ-UTKZUKDTSA-N 431.378 4.843 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC=C(Br)C1)c1ccccc1 1301168874 VRGNZIOUSHOLQE-AZUAARDMSA-N 443.389 4.978 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1301231295 GVUMOEXTNDRXJT-AVRDEDQJSA-N 449.580 4.723 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1ccncc1Cl 1301347136 PFVBYECUCVVFTR-UHFFFAOYSA-N 430.943 4.938 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(C)(F)F)C1 1301543732 PGXLDMSIGOVDKX-QGZVFWFLSA-N 427.499 4.628 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@]2(c3ccccc3)CC2(C)C)cc1 1307960999 CAOPCGNPJGMECA-MHZLTWQESA-N 442.563 4.828 30 10 IJEE C=CCOc1c(Br)cc(CNCCCN2CCc3ccccc32)cc1OC 1308189720 FRVARLMAANFWBE-UHFFFAOYSA-N 431.374 4.565 30 10 IJEE C=CC[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)c1ccncc1 1309200656 JHCNKWOXEWQIII-AWEZNQCLSA-N 436.158 4.747 30 10 IJEE CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)sc2C1 1310635738 HVEXQAKRKGYKNR-OAHLLOKOSA-N 441.576 4.659 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)C(C)(C)C 1310650261 SBWZNSFPKSAGOZ-MRXNPFEDSA-N 427.467 4.900 30 10 IJEE C[C@H](C#N)CN(C(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1)C1CC1 1310854753 BDGWNNXAVIEYOI-GFCCVEGCSA-N 436.741 4.503 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1311293289 CPQYLIQNLKWYQF-UHFFFAOYSA-N 434.927 4.864 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2ccccn2)n1Cc1ccc(F)cc1C(F)(F)F 1314819511 CVMUEHGLZKKPSD-UHFFFAOYSA-N 447.358 4.935 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ocnc1C(F)F)c1ccc2c(c1)OCO2 1351622331 CRRSUXHJAVTXSJ-UHFFFAOYSA-N 428.391 4.753 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 1352428678 CQVRURUEPWTHFA-UHFFFAOYSA-N 442.540 4.729 30 10 IJEE C#CCN(C(=O)c1cc(Cl)nc(C2CC2)c1)[C@@H]1CCOc2ccc(Br)cc21 1353634928 OQUHQUVNQAQPQU-GOSISDBHSA-N 445.744 4.974 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(F)cc3)c3ccccc3Cl)cc2C1=O 1354472275 NZJQNJNVTMMQJN-QFIPXVFZSA-N 448.881 4.781 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)OCc1nc(-c2ccccc2)cs1 1354512366 DTKDIQANYGABKK-UHFFFAOYSA-N 429.295 4.566 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 1355411870 HVYUHCSRGPKYLB-IBGZPJMESA-N 446.522 4.992 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CCCN1C(=O)OC(C)(C)C 1355562945 HBVKCHSTENMOTF-UQBPGWFLSA-N 444.572 4.919 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1356006573 YJJPCWZVXNDYDB-FQEVSTJZSA-N 447.457 4.676 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 1358151925 BDZRLCXEHFVHCP-QFIPXVFZSA-N 449.551 4.657 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1358911124 LJYKVZVBKYRKDO-DEOSSOPVSA-N 426.992 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(F)cn1 1358987212 WSJBHYALINTCQP-UHFFFAOYSA-N 449.942 4.859 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1csc(CC)n1 1359100954 IJQLOERMXMDFOX-LAUBAEHRSA-N 443.642 4.567 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1C1CCC1 1359128268 OVSMGNUZBWTNLG-HXUWFJFHSA-N 432.515 4.908 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC(O)(CC)CC)CC1 1359174678 LJLITLNJPMFMMR-UHFFFAOYSA-N 433.394 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359189766 UPADLIJZRLBFMG-MSOLQXFVSA-N 433.641 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1Nc1cnn(C)c1 1359191729 KOXCUJCTFXQHOB-UHFFFAOYSA-N 445.365 4.699 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1359194077 OXJYRXRFXYFSOL-PKTZIBPZSA-N 431.584 4.951 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359198230 LMTHBHRNJBSIEI-ZJOUEHCJSA-N 427.568 4.586 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)CN1CCCC1 1359234142 FRQIBDDJIAQEKH-GOSISDBHSA-N 427.662 4.876 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1359283270 GIWMBBSBEHUEKV-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N[C@H](C)[C@H](OC)c1ccccc1Cl 1359288564 LIHBDJSEEFPYJZ-ZHRRBRCNSA-N 436.947 4.544 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H]2c2cnn(C)c2)cc1 1359308445 OKYKQJMHGWKSCZ-JOCHJYFZSA-N 434.588 4.555 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)c2nc(C)cs2)C1 1359322762 BPVMATXGJVZDLY-RXVVDRJESA-N 437.613 4.527 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359337468 SXHOFCJJCHNKJE-TUNNFDKTSA-N 427.662 4.658 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1359344696 GKTRNJUXMOLYAY-NRFANRHFSA-N 430.593 4.647 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1444797685 DXXRBFLNJMNYTH-CABCVRRESA-N 428.982 4.551 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 1454494883 YMSBRDNSIVDREP-ZWKOTPCHSA-N 445.387 4.783 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1OC 1458324631 ZFKUSSBIGJLVBU-BVYAJCBJSA-N 446.459 4.909 30 10 IJEE C#CCN(CC#C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 1459523050 DQISNEPWOOJFFD-UHFFFAOYSA-N 446.616 4.662 30 10 IJEE C=CCc1cc(C(=O)N2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)cc(OC)c1OC 1463489033 DKVTXVQKWYKNMZ-HXUWFJFHSA-N 446.588 4.684 30 10 IJEE C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)cn1 1465431417 HROVIRLFBSXYHA-ZDUSSCGKSA-N 438.285 4.786 30 10 IJEE C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1467732681 HNRBXIAROLAZFO-IBGZPJMESA-N 429.495 4.627 30 10 IJEE C=CC[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1cc(C)ccc1OC)C(=O)OC 1472912769 DIYUCRPXVNPMNT-LJQANCHMSA-N 444.940 4.566 30 10 IJEE C=CCC[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 1473316977 FGMMSXRKPQBHCD-NRFANRHFSA-N 426.438 4.602 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@](C)(O)C2CCCCC2)cc1OCC 1474111772 IRVGUAHVHGILHL-NRFANRHFSA-N 426.395 4.834 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)c1ccccc1 1476486312 GITSWUKWTZELRE-LJQANCHMSA-N 445.361 4.510 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1507829103 QVWDWGDFYKASLK-UXHICEINSA-N 448.615 4.534 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)on1 1507930167 ZVJOIKUGOLSZMO-UHFFFAOYSA-N 447.381 4.573 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H]1C)C(C)C 1508011944 XRGFYUFWMZPGRU-AWRGLXIESA-N 432.616 4.750 30 10 IJEE CCCN(CC)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N 1514685374 ANVYXRFRTJFCTF-SFHVURJKSA-N 428.650 4.603 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)CCCC1(C)C 1519869834 CCXDHNAFTGCKAU-MRXNPFEDSA-N 442.297 4.715 30 10 IJEE C=CCN(C(=O)/C=C\c1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1522165345 HDNWNAMAQPKLTR-DDAIRQTISA-N 431.454 4.908 30 10 IJEE Cc1nn(CC(=O)NCc2ccc(C#N)c(Cl)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 1524083274 BNGJKXYDANUBCW-UHFFFAOYSA-N 449.864 4.723 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)c(C)cc1OC)c1ccc(Br)cc1 1525054785 RKJWQMIYEJXJJI-MRXNPFEDSA-N 437.131 4.633 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(Cl)cc1F 1525070414 RVYFFPZPMRVUMM-OAHLLOKOSA-N 448.062 4.841 30 10 IJEE Cc1ccc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(O[C@@H](C)CC(C)C)c1 1525876165 FOUPAJVXPBRJIC-SIKLNZKXSA-N 437.559 4.962 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(C(=O)N[C@H](C)CC)cc1 1526837927 NHVZHUGHQFADJK-OAHLLOKOSA-N 434.458 4.729 30 10 IJEE CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)c1 1527659489 AYAFXDJDYWZJOT-UHFFFAOYSA-N 447.878 4.893 30 10 IJEE CCCOc1c(Cl)cc(C(=O)Nc2c(C#N)cn(CC)c2C(=O)OCC)cc1OCC 1528979098 DZXZXPWWARDZDR-UHFFFAOYSA-N 447.919 4.650 30 10 IJEE COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1530180168 DRDFBVZGBWBEGX-MNOVXSKESA-N 429.332 4.894 30 10 IJEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CCCCC1 1536230017 QVSUMTXQMDEQOL-UHFFFAOYSA-N 444.984 4.621 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)CCc2cc(Cl)ccc2Br)n1 1536864173 CUOAMKAAMJRBMK-UHFFFAOYSA-N 447.695 4.870 30 10 IJEE C#CCSc1ccc(COC(=O)c2nnn(-c3cccc(Cl)c3)c2CCC)cc1 1537416258 HCSBQFXCUOPMIO-UHFFFAOYSA-N 425.941 4.956 30 10 IJEE C=CC(C)(C)CC(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1538295262 WZYFZGBGWBFWSV-MOPGFXCFSA-N 428.573 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CC2(CCOCC2)C1 1538971494 HDXPBZSVFSDRQM-ROUUACIJSA-N 442.991 4.736 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539081918 HSBWTSVWJSQIMJ-UYAOXDASSA-N 434.506 4.912 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC1(C)C 1539082282 PUODZWVEHBIGQJ-UHFFFAOYSA-N 431.378 4.802 30 10 IJEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1cccs1 1539089000 DNEFZKDPTBDICM-INIZCTEOSA-N 441.988 4.534 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(CC)CCc1cccs1 1539513592 PNHFMKKKPJHZLV-UHFFFAOYSA-N 449.649 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C)C1 1539624729 VSQWYPNLECWDOA-CLCXKQKWSA-N 436.984 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C)C1 1539624730 VSQWYPNLECWDOA-DOXZYTNZSA-N 436.984 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCN1CC 1539659067 HWHADULYTVUESC-LJQANCHMSA-N 432.012 4.884 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccco1 1539730316 XJFYYBWKMMRHTK-UHFFFAOYSA-N 437.363 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1539836313 PVOVBGYEQKBTIY-SSEXGKCCSA-N 428.646 4.946 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCN2CCC)CC1 1539858810 BUPQLYLFLTVOCS-NRFANRHFSA-N 425.646 4.910 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cc(C)nn2C)CC1 1539875347 WICWRXIYPLGGBH-FQEVSTJZSA-N 434.588 4.528 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCO[C@H](C)C1 1539944314 AHVQWKNCEAZOAR-RTBURBONSA-N 426.561 4.672 30 10 IJEE C=CCC1(CNC(=O)CCCOc2ccc(I)cc2)CCCC1 1540085029 NPRYCKUPELJJBK-UHFFFAOYSA-N 427.326 4.703 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CC1(SC)CCN(C)CC1 1540135785 AXBYJBWTDLPCEX-UHFFFAOYSA-N 443.636 4.705 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1CC1=CCCOC1 1540148113 RFRPWYGOUXCJQO-UHFFFAOYSA-N 436.581 4.766 30 10 IJEE CCO[C@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1547843934 AUYHKXRHOSFCPS-QPPBQGQZSA-N 427.568 4.589 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cc3cc(NC(=O)OC(C)(C)C)ccc3s2)n1 1556461349 XTLQUNRBIGAYRJ-UHFFFAOYSA-N 438.553 4.740 30 10 IJEE C=CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 1556871418 IMVDNHDLIPTCML-UHFFFAOYSA-N 426.925 4.974 30 10 IJEE C#C[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(Br)cc1 1560855173 RXJYJIDMCBPMEZ-JOCHJYFZSA-N 441.369 4.762 30 10 IJEE Cc1cc(C#N)cc(NC(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c1 1562939254 BTNYXWDYKGMUNR-UHFFFAOYSA-N 444.510 4.939 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Cl)c1 1566267488 BQMSTWGHFUPKEK-GHTZIAJQSA-N 428.363 4.992 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 1566438473 ACCAPVWGKOAPKI-DAYGRLMNSA-N 426.479 4.620 30 10 IJEE C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1568490054 BYTJIWSBHOFYHE-IIBYNOLFSA-N 449.904 4.946 30 10 IJEE C#C[C@H](NC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1583549754 PSWCXYNPUWRUPG-INIZCTEOSA-N 444.881 4.710 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1587706711 SPBGPQHXKYDOJJ-IBGZPJMESA-N 442.007 4.601 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC=C(C)C1 1589296157 OYFTUHGYJBGDAI-KRWDZBQOSA-N 447.377 4.882 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCCC(C)C)CC1 1589316668 FMHOKCHMRWEWIY-UHFFFAOYSA-N 437.382 4.787 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC 1589506348 VDAXHVZDPIHSBX-SUMWQHHRSA-N 439.785 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1589514223 DYZJFQGQZWODCN-YVHKJVDXSA-N 441.526 4.740 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC1 1589567523 DRRMOIXFGNZNTJ-YKSBVNFPSA-N 438.616 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1ccsc1)N(C)C 1589608351 GLPFJPHFSFKPFE-OAQYLSRUSA-N 425.602 4.721 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC(Oc2ncccc2F)CC1 1593851683 AURDLQIIVOXONJ-UHFFFAOYSA-N 427.911 4.588 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)c2cccc(F)c2)CC1 1594193559 RMZXVCXYZNBHJI-SFHVURJKSA-N 430.568 4.521 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)COCC)CC1 1594229933 WMUJSLILZHVYOY-UHFFFAOYSA-N 434.588 4.596 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCCC[C@H]2C)CC1 1594430501 NGEKMHOXNQISCL-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1594679555 GVXMFCWWBVKWPQ-LAUBAEHRSA-N 426.492 4.694 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(Cc1ccnn1C)C1CC1 1594687872 ZJOKLWIBSXBQNR-UHFFFAOYSA-N 441.377 4.576 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1594698212 MKDFZMBWMWGRMP-SFTDATJTSA-N 440.588 4.855 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCc1csc(C(C)(C)C)n1 1594997799 ONNDQTASZCLSPV-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CCC)C1 1595149744 UQYYSTXYLBFIPQ-LJQANCHMSA-N 425.602 4.833 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCSC2)cc1 1607165109 CEQXQBZKSBNBFV-WZONZLPQSA-N 443.592 4.565 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC)CC2)o1 1614434341 FBHLEDNSKUQZIT-UHFFFAOYSA-N 448.571 4.652 30 10 IJEE C=CCCN(C)C(=O)c1ccnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1616518781 GEGMBHIAOHYORO-UHFFFAOYSA-N 441.531 4.768 30 10 IJEE CO[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1)C(C)(C)C 1618974926 ABYSYTHKAOABQX-HRAATJIYSA-N 441.645 4.932 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 1626325017 OATMKHFZTFANBP-FQEVSTJZSA-N 438.524 4.544 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cc21 1627040818 SZZGCWHBTLUABG-UHFFFAOYSA-N 429.377 4.818 30 10 IJEE C#CC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)C(=O)OC 1637697482 UIELYPQTZJVZAF-RUZDIDTESA-N 449.510 4.501 30 10 IJEE C[C@@H](NC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(F)cc1 1638813692 CVPMTRKCUZAAQQ-PIGZYNQJSA-N 438.343 4.655 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 1639805735 QYBRWYDEMCCSJS-GOTSBHOMSA-N 443.632 4.748 30 10 IJEE C=CCn1c(SCc2ccncc2Br)nc2sc3c(c2c1=O)CCC3 1640686342 PQKBBSAXZCCJJZ-UHFFFAOYSA-N 434.384 4.583 30 10 IJEE Cc1c(C#N)c(NC(=O)CSc2ccc(-c3ccco3)nn2)n(-c2ccc(F)cc2)c1C 1644051566 GEBBJWWUYYDUFT-UHFFFAOYSA-N 447.495 4.886 30 10 IJEE C#C[C@H]1CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 1646455237 HOCDPCJPKOYTAO-IBGZPJMESA-N 433.552 4.828 30 10 IJEE C=CCC(CC=C)C(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1648437057 XKDLGCJAGLJPCY-CPJSRVTESA-N 426.557 4.774 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C)CCC1 1649542243 JXOMFYNIPIJUMZ-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1Br 1655652701 GUWGVCNRBSGGNZ-BBRMVZONSA-N 439.762 4.589 30 10 IJEE C=CCOCCCNCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1657683773 MYLXSEBAOZMQSQ-UHFFFAOYSA-N 426.358 4.984 30 10 IJEE C=CCC[C@@H](NCC(=O)NCc1ccc(NC(=O)OC)cc1)c1ccc(C(F)(F)F)cc1 1657967925 MHMFUEHXLDBMTQ-HXUWFJFHSA-N 449.473 4.797 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 1663877995 ZSAWOWOLNQPZTI-UHFFFAOYSA-N 437.993 4.673 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 1666979385 JPLPIJZQVRNROK-HSALFYBXSA-N 433.321 4.710 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3COc4cc(F)ccc4C3)c2)cc1 1668014021 HPQXCBBRPRZWNX-JOCHJYFZSA-N 431.467 4.596 30 10 IJEE C=C1CCC(CNC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)CC1 1669245035 QHLHKDFRPZLISN-UHFFFAOYSA-N 445.629 4.603 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 1670428558 VCRANKJUKPBSMY-QGZVFWFLSA-N 430.373 4.956 30 10 IJEE CC1(C)C[C@@H](NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c2cc(F)ccc2O1 1674153032 BIVQWVCHQZMLNE-GFCCVEGCSA-N 428.348 4.954 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1681784858 WZRTYZXSQAWOOI-HXUWFJFHSA-N 435.515 4.839 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 1684815154 HTMQMQVJQOANAK-UHFFFAOYSA-N 440.009 4.935 30 10 IJEE C=CCCC[C@H](NC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F)c1ccccc1 1684894349 PFERUGFDPXWIMD-UXHICEINSA-N 445.485 4.903 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(OCCN2C[C@@H](C)[C@@H](C)C2)cc1 1685932452 WOAYMOBQKWBINB-SWXWDQRWSA-N 427.633 4.630 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1689830876 DFDMFCFUUGIXAX-ZRBLBEILSA-N 433.644 4.574 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cccc(C)c1 1689835414 MDNFLGYTWYXMGH-OALUTQOASA-N 434.609 4.977 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(OC)CC1 1689887059 NVYKRGVNBHYXTM-RUZDIDTESA-N 433.556 4.799 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1689938802 WRSDHLZMUPFFSM-HSZRJFAPSA-N 438.616 4.819 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCO[C@@H]1CCCC[C@H]1C 1690009211 YAHXSUQYTNZTPX-DYESRHJHSA-N 445.394 4.920 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1C 1690096433 SRMGDNUZZFZVRW-IBGZPJMESA-N 448.636 4.883 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CCCC2(CC2)C1 1690233324 DBVBSBYOJCQWPI-UHFFFAOYSA-N 447.377 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCC(=O)N(C)C 1690257705 RENGEMXEDRNEHJ-UHFFFAOYSA-N 448.615 4.623 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CCC(C)C 1690332559 DUTGYWMITIYUQP-UHFFFAOYSA-N 425.762 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690418985 DGDVFHMSWPIJIJ-HDICACEKSA-N 444.023 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2CCOC2)CC1 1690436429 RIFOXJDFCHVCPM-QFIPXVFZSA-N 438.616 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(F)cc2)n1Cc1cc(C(C)(C)C)no1 1690600789 DRRAXUYJGPDBKT-UHFFFAOYSA-N 425.508 4.508 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOC[C@@H]1C 1690736620 KKZRKGRABSMBHB-INIZCTEOSA-N 444.601 4.957 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1 1692842205 BFSBNAFXSLWFHQ-TVZXLZGTSA-N 446.599 4.788 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1ncc(CC)s1 1705477917 UCIOQFFJLNUJEV-MJGOQNOKSA-N 437.613 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(OC)CCCC1 1705501662 LUBIICIOGYNKBT-HNNXBMFYSA-N 437.371 4.581 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1705505580 LXEWJSMNGNOACK-IBGZPJMESA-N 449.624 4.957 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)OC1CCCC1 1705511253 NBDZVBJNSHTIMX-UHFFFAOYSA-N 447.377 4.830 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](c2ccco2)C1 1705525647 PWXORBPNNLYEPD-QGZVFWFLSA-N 425.330 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(C)CC1 1705673371 XMZPXTGFQLZNCT-UQBPGWFLSA-N 441.620 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@H]1C 1705710511 NDWVMOLITBUVTM-MOPGFXCFSA-N 432.012 4.958 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)C1CCCCC1 1705710575 YMHZUTBNSHMCOQ-WZONZLPQSA-N 428.552 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H]1CCOC1 1705711665 BUMJTXVVRYJKHG-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC[C@@H](OC)C(F)(F)F 1705716593 OYDRQMUCQKNKKR-QGZVFWFLSA-N 432.437 4.517 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(C)(C)OC[C@@H]1C 1705731209 SXADVKPKCZRZQW-FPOVZHCZSA-N 442.604 4.631 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1705737044 IQSSSXIQTXJANT-HXUWFJFHSA-N 432.996 4.691 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccco1 1705738503 AEWMFZWVEXBLNJ-FQEVSTJZSA-N 428.483 4.674 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(C)CCCO2)CC1 1705777908 SZHPHFMIWFITKN-NRFANRHFSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1705784005 DMGLMJWAFKZYHR-QHCPKHFHSA-N 448.533 4.863 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1Cc1cccs1 1705856889 JUOFKWHRJLHJBK-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1722336922 SFWRREDGTCJTHO-NHCUHLMSSA-N 426.992 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1 1722497925 ILRSDCSVBZKPGV-OPAMFIHVSA-N 441.988 4.763 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722521018 YSVUTCXJCJTQFA-LJQANCHMSA-N 441.645 4.593 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1722521661 XQLNKCZUCCRWOB-CTNGQTDRSA-N 439.604 4.959 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cccnc2OCC)CC1 1722569455 AIHNBIJLTQLWJI-UHFFFAOYSA-N 435.597 4.877 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1722614880 FRNRDGUSDWOWFM-KRWDZBQOSA-N 438.498 4.543 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC(C)CC1 1722637793 XSPWBRSCYBXRPJ-UHFFFAOYSA-N 432.012 4.741 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1722736095 WVNNQUUEEKNYJT-KRWDZBQOSA-N 430.618 4.754 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1726841975 FAKLHVPKHLCTDX-CKJXQJPGSA-N 436.025 4.617 30 10 IJEE CCCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)CCC1 1727967736 HDTOKTLJFNYYIA-INIZCTEOSA-N 434.371 4.951 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)C)CC1 1740566861 CDMWJNNYFGEFCC-FQEVSTJZSA-N 444.023 4.796 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1740577289 YNSXYDSOKUGLJP-QHCPKHFHSA-N 426.992 4.638 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1740580532 ARXTYPPFPYQTSG-QUCCMNQESA-N 445.007 4.963 30 10 IJEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1740593047 QIVLLFKCNYMTMX-HXUWFJFHSA-N 434.613 4.641 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@H]2CCC=CO2)CC1 1740821437 JDUCVUIOAWHGKK-NRFANRHFSA-N 438.572 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740850773 PYIOPBKQJNYZHE-LJQANCHMSA-N 431.625 4.669 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C(C)(C)C)cs1 1740904364 IIJATQJYOXVJTP-UHFFFAOYSA-N 431.993 4.935 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCC(F)(F)C1 1740915520 JLMUWQHECABLCC-LJQANCHMSA-N 439.510 4.977 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1Cc1nc2c(s1)C[C@H](C)CC2 1740918937 XGMIHTRTKLOYIS-GOSISDBHSA-N 437.613 4.637 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1N(C)CCCC1(C)C 1740923793 VYOGZHJCGSURIS-FPOVZHCZSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1740929218 LSJNKQKRXBKXEV-QHCPKHFHSA-N 430.600 4.754 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCc2ccccc21 1740934747 PORLLGIUUKOKSZ-HXUWFJFHSA-N 433.600 4.855 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1740943851 BMEDHHHGLCDTOF-INIZCTEOSA-N 445.995 4.914 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(C)CCCS2)C1 1740983884 RQKRBDNUXXHABD-RDPSFJRHSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC=C(C)C1 1740996776 HVFYWZBJCSYCBN-UHFFFAOYSA-N 449.418 4.792 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740997324 YIYFXWSIGCXGEQ-JBACZVJFSA-N 444.645 4.958 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@](C)(CC)O1 1748651035 HRFMHBMMDNQWIN-NJSLBKSFSA-N 437.407 4.575 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC2(CCC2)C1 1748703380 OOHZPDCFDCVSNU-UHFFFAOYSA-N 443.389 4.900 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1748724970 OFJKCXFNIYGWAL-HXUWFJFHSA-N 432.490 4.631 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1748753257 BPYOMRZOKSYJIR-JOCHJYFZSA-N 438.959 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1749119104 NLJPQEJUFZRSMC-MALNDZBISA-N 426.605 4.641 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749181724 QQZPFEPSSNWZEK-UHFFFAOYSA-N 449.958 4.618 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC(OCCC(C)C)CC1 1749271934 FLFBWJSJHPXPFQ-UHFFFAOYSA-N 432.996 4.662 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1749367186 RKMHIJVYQKTWJP-ZDKQTTCGSA-N 444.645 4.709 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1Cc1c(C)noc1C 1749531433 KQNXDAHKUXRCMA-UHFFFAOYSA-N 428.496 4.564 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1760130674 NOMRPSBUWJLMJD-OAQYLSRUSA-N 426.362 4.641 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1760134456 NOOQTMZTXBORIF-LJQANCHMSA-N 442.489 4.805 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCO[C@H]1C(C)C 1760228462 GYYKBQLXTGIIER-SPEDKVCISA-N 426.630 4.652 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2CCC[C@@H]21 1760302430 CQLSAQJOAGBVTR-SJORKVTESA-N 447.377 4.638 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCc1ccccc1F 1760331420 TYIXGDAOQPVJEH-UHFFFAOYSA-N 446.368 4.830 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCCC(C)(C)C1 1760352966 CLKIRYDOQKDXCF-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(C)COCCn1c(N2CCC(n3c(C)nc4ccccc43)CC2)nnc1C(C)(C)C 1760361993 YDJYNGWBRHBKTB-UHFFFAOYSA-N 436.604 4.668 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760390308 CNAMDGMEXZOZET-OYRHEFFESA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1760408190 FDGACTPKAHEEPY-NRFANRHFSA-N 446.039 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCCC)CC1 1760408337 JSAOCXZLIOCOOW-UHFFFAOYSA-N 427.593 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC)(CC)C1 1760408621 DHQKXEOQKUOMAR-UHFFFAOYSA-N 444.645 4.967 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](OCCOC)C1 1760434314 WPJNCYPCVONLIE-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)C1CCCCC1)C1CC1 1760472666 QYLZNXSIWBHOQD-UHFFFAOYSA-N 427.980 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@@H](O)C1 1760486881 CMBVTEOAVMWVMM-RBBKRZOGSA-N 436.625 4.983 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@@](C)(CC)O1 1760487577 YOZGZQNRGWIQKU-DNVFCKCGSA-N 430.618 4.774 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3C[C@](C)(O)c3ccccc3)cc2C1 1762808061 HJTLVXDHWRTTLX-GAKIBJFNSA-N 449.624 4.777 30 10 IJEE CN(Cc1ccc(Br)o1)c1nnc(-c2ccc(C#N)cc2)n1CCC1(C)CC1 1768629860 CINXNHPNVIHFCI-UHFFFAOYSA-N 440.345 4.999 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1772554896 YGLKDCVVHAZVEB-QFBILLFUSA-N 445.405 4.783 30 10 IJEE N#Cc1ccc(COc2cccnc2NC(=O)NCc2cccc(C(F)(F)F)c2)cc1 1858809687 AKOPTRCFMMLKPW-UHFFFAOYSA-N 426.398 4.873 30 10 IJEE N#Cc1ccccc1NC(=O)Nc1ncccc1OCC(=O)Nc1cccc2ccccc12 1858830790 DUIKUGWRFTVUAJ-UHFFFAOYSA-N 437.459 4.768 30 10 IJEE CCOc1cc(/C=C/C(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 1860636039 IVACGJBGVYCAME-JQIJEIRASA-N 429.516 4.905 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC 1860725013 ZWZOLEBUIIKFJO-NTEUORMPSA-N 432.476 4.677 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862421145 VFJURNYMZCZGHT-UZUQRXQVSA-N 449.453 4.875 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432442 FAAANNSFFLJSHY-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1862444456 YYBCBPOSOPIFSL-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862567990 FYBPECFZMWSYJH-DEOSSOPVSA-N 442.515 4.836 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 1862674731 RXDYOZCPUXQGEY-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(F)cc1 1862703684 XJJMGWJRBRQODP-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862885216 NDHNMYYGQPAHFE-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863385985 UXXXIMWFYSSGJW-UHFFFAOYSA-N 442.346 4.972 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2ccc(C)c(C)c2)C1=O 1863607111 UIGRAYBECVZINH-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccccc2OC)C1=O 1863765279 RPJHIDYSGORSDA-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1ccco1 1864472255 WHHNQHLAMWJUHH-HXUWFJFHSA-N 428.577 4.527 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1cccc(C#N)c1 1866650858 YVEVRBZNFPOVGS-JOCHJYFZSA-N 444.535 4.686 30 10 IJEE CC(C)COC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871427861 WYTGGSLXTMZYOK-OCKHKDLRSA-N 431.282 4.643 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCc3nc(O)c4ccccc4n3)ccc2C1=O 1871430302 GWCREBAJOCITJD-QRVIBDJDSA-N 440.455 4.929 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871441995 UZSJCQGEYMLQHE-FMCGGJTJSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871973013 WKYHCIMNOWGLHF-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCCC 1872277232 IYNDHBCNNMILSF-HXUWFJFHSA-N 428.598 4.612 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872435944 XTUOYUIFLVGSSI-HSZRJFAPSA-N 428.598 4.958 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872521263 GSYMIQZBOKJJKC-ZHRRBRCNSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872541984 KLWCYGXEFHCYOO-NRFANRHFSA-N 428.598 4.823 30 10 IJEE CS(=O)(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760305 LKUMHNDHTYQRTN-FQEVSTJZSA-N 447.541 4.825 30 10 IJEE COc1ccccc1-c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872762979 BIYZBOKEWPMPSI-IMFGXOCKSA-N 445.544 4.605 30 10 IJEE COc1ccccc1-c1csc([C@H](C#N)C(=O)CCCCCNC(=O)c2ccccc2)n1 1872766876 LISUHVNXOFLSJS-HXUWFJFHSA-N 447.560 4.985 30 10 IJEE CC(C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 1872766957 QWIJRVYFIUFFIK-SFHVURJKSA-N 449.919 4.958 30 10 IJEE Cc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872772445 DHEDRRZVLAUDDR-IBGZPJMESA-N 434.517 4.925 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(CCOC(C)C)C1=O 1873063664 JHIWHLNAQULAKH-UHFFFAOYSA-N 440.506 4.559 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@@H]2SC1(C)C 1873886009 CJMPPAYORFPEMG-UGKGYDQZSA-N 434.602 4.529 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)cc1 1874302614 HKLFIAGGEBKZGD-JVWAILMASA-N 447.539 4.976 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1O 1874320328 LMZZINHTVOFHAU-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874335348 NIHJAWZFBBQOCE-RVWJGDDESA-N 447.608 4.794 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(O)c(OCC)c1 1874375597 DQCWVYKJHPTIBS-ZMOGYAJESA-N 426.517 4.663 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccc(Cl)c1 1874420183 FKWRIZFGNWXZJY-CIAFOILYSA-N 433.990 4.503 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c1 1874449593 GTRXPFWTYUKSGH-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cl)cc1 1874461858 FBENZGPZOFHIMI-FOKLQQMPSA-N 447.914 4.573 30 10 IJEE CCCCc1nnc(SC)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874475649 KWWCWYUYNZKIJW-RGVLZGJSSA-N 441.395 4.783 30 10 IJEE CC(C)(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccc(F)c1 1874485354 QBIPEPUWIJCOHE-WYMPLXKRSA-N 436.516 4.538 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(Cl)cc1 1874505456 YNGWRDXDHMYERJ-FSJBWODESA-N 431.924 4.636 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccc(F)cc1 1874706335 BNASFFNDUAWNHR-XNWCZRBMSA-N 434.419 4.721 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC(=O)c1cnccn1 1875155931 WJOZGLOEPUVHID-BJMVGYQFSA-N 432.476 4.733 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Br 1875162263 FMUJXOKIXFNCGN-QHHAFSJGSA-N 425.225 4.565 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C(F)(F)F 1875169588 OSZAZLRTZRZWFV-VOTSOKGWSA-N 438.398 4.693 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC(C)(C)[C@H]1C#N 1901486717 YJONYOFVUUZJEU-DNQXCXABSA-N 445.563 4.844 30 10 IJEE Cc1cc(C#N)ccc1CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951476523 IXMZYRVWOXREGR-RUZDIDTESA-N 440.499 4.791 30 10 IJEE C=C(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OC)cc1 1951602005 JEYMDKQGDJNXMM-XMMPIXPASA-N 429.472 4.916 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2cccc(Cl)c2Br)C1 2063052189 QRYSQGZFLSEWRS-HNNXBMFYSA-N 430.770 4.867 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)C12CCC2 2076645311 AGYUNOORPVINJJ-HOYKHHGWSA-N 449.592 4.618 30 10 IJEE CN(C)Cc1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079175070 BHFNTIQSVMOGMM-UHFFFAOYSA-N 434.153 4.873 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c1N 2080038400 QZFBCIYWUXOMIE-ZDUSSCGKSA-N 439.331 4.818 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)C1(CNC(=O)OC(C)(C)C)CCCC1 2118200424 FDBYTWTUEUULNU-UHFFFAOYSA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124522717 WQOHZNVIXGXBEY-OAHLLOKOSA-N 448.344 4.871 30 10 IJEE C=CCC1(Oc2cc(Br)nc(CC)n2)CCN(C(=O)OC(C)(C)C)CC1 2128070865 XJKISSHATWBFHK-UHFFFAOYSA-N 426.355 4.526 30 10 IJEE N#Cc1ccc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c(F)c1Br 2152789247 DMPIRIVMNJYNSB-UHFFFAOYSA-N 438.291 4.807 30 10 IJEE C[C@@]1(C2CC2)CN(c2cc(Br)cc(F)c2C#N)CCN1Cc1ccccc1 2163701218 ZNMOVIJMJSMXNN-QFIPXVFZSA-N 428.349 4.951 30 10 IJEE O=C(NC[C@@H](NCc1cccc(C(F)(F)F)c1F)C(F)(F)F)OCc1ccccc1 2166846095 SZLPVCSVEUMXIL-OAHLLOKOSA-N 438.343 4.791 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(Br)ccc2C#N)CCCC1(C)C 2181105489 LMZNXFIOSSSGCD-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1ccc(Br)cc1C#N 2181109048 ACTSAORLUYZORJ-INIZCTEOSA-N 436.350 4.589 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)c(F)c2)NCC)C1 2183008135 LHIPURLBIQPPEN-SFHVURJKSA-N 441.385 4.970 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2224093871 PNJRIVZARVWNPL-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE C=CCN(CC[C@@H](NCCC)c1cc(Br)nn1CC)C(=O)OC(C)(C)C 2224258741 LMWIIASYZFEJCV-OAHLLOKOSA-N 429.403 4.519 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H](N)C#Cc2ccccc2Br)cs1 2227493301 MPHXTGROSNQNEI-IUODEOHRSA-N 436.375 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2257345270 YJZPGACXPLVNEE-DVSDUFGPSA-N 448.568 4.900 30 10 IJEE CCCN[C@@H](CC#CC1CCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2261097449 OUVTUNSZKDZSMG-DQEYMECFSA-N 441.660 4.964 30 10 IJEE CC1(NC(=O)OCc2ccccc2)CCC(O)(C#Cc2cccc(Br)c2)CC1 2264111489 CSDXRGNSHITRHL-UHFFFAOYSA-N 442.353 4.791 30 10 IJEE C=C(CN(C)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268645579 GDBWWKUYZHZIDL-UHFFFAOYSA-N 444.381 4.612 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2280424870 WLDHAXRHKQDAFD-GHTZIAJQSA-N 439.369 4.518 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@H](O)C#Cc1cccc(Br)c1 2296231634 GLOQKJWBCGLHAU-RBUKOAKNSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2ccc(Br)cc2)CC2(CCCC2)C1 2296270098 WAANFRQHCANLSQ-GOSISDBHSA-N 434.374 4.779 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)C(C)C 2296285116 YONLLWWEZJSGFN-UXHICEINSA-N 437.422 4.966 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H](CC)CCN1C(=O)OC(C)(C)C 2296290782 HNNKSOFSGWLWAC-RLLQIKCJSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2296300299 GJILCRQAYMKULT-OALUTQOASA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2296310254 HHGLNSITAPFOSK-YSIASYRMSA-N 435.406 4.720 30 10 IJEE O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)C1=C(O)c1cccs1 2296927115 RTJQYORUCBOHPM-SJKOYZFVSA-N 438.332 4.656 30 10 IJEE CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(C)cc3)cc2)c1 2297346481 MTWBMDLHIZKSNB-UHFFFAOYSA-N 434.517 4.807 30 10 IJEE COc1ccc(C=C2SC(=Nc3ccc(Br)cc3)N(C)C2=O)c(OC)c1 2297462090 ZVOIDVANGPUXAT-UHFFFAOYSA-N 433.327 4.700 30 10 IJEE NC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2322290762 CDTMGNYNJOQEIR-UHFFFAOYSA-N 436.305 4.876 30 10 IJEE COC(=O)c1sc(NN=Cc2ccc(OC(C)C)c(OC)c2)nc1-c1ccccc1 2323874114 KSGKCSROKPVJGF-UHFFFAOYSA-N 425.510 4.839 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 2328081272 HMVCBNPCGBPEKM-VXKWHMMOSA-N 425.960 4.988 30 10 IJEE CCOc1ccc(C=CC(=O)N[C@@H]2CCNC[C@@H]2C(=O)C=Cc2ccc(C(C)C)cc2)cc1 2328297478 PPNUKXUHGADWAI-IZZNHLLZSA-N 446.591 4.599 30 10 IJEE Cc1ccsc1C=Nn1c(SCc2ccccc2)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329030062 CIMOSFMHVYZLTB-SFHVURJKSA-N 439.610 4.547 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc(F)c1 2330819334 RGTYKBARIDJUQI-UHFFFAOYSA-N 443.523 4.758 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)ccc1O 2330986876 ZTDOKHHXEAYJFK-GOSISDBHSA-N 444.944 4.672 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccc1Cl 2331351240 BYDFNUAOVBPRFM-UHFFFAOYSA-N 441.988 4.565 30 10 IJEE CC(C)(C)c1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331397071 FTJRJIZHOAAWCW-UHFFFAOYSA-N 429.477 4.503 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc2ccccc12 2331449260 GADLDYFTPQTNOY-UHFFFAOYSA-N 447.564 4.514 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(CC(C)C)nnc1SCc1ccccc1 2331453622 NJMMMUBJXSAUBF-UHFFFAOYSA-N 440.569 4.677 30 10 IJEE CCOc1ccc(C=NNc2oc(-c3ccc(Br)o3)nc2C#N)cc1OCC 2331936566 REVRHTFYUJMUSJ-UHFFFAOYSA-N 445.273 4.812 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2cccc(C)c2)c2ccccc2)cc1 2332190555 VRAZKSCJZPHXTN-UHFFFAOYSA-N 435.487 4.635 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Br)ccc2OC)C1 2339207506 PTEZXBAHSOEZMZ-QGZVFWFLSA-N 425.367 4.722 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339591886 IENJPMNHIPNZBK-LJQANCHMSA-N 443.397 4.832 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)n1 2362163395 FBESFWRUOAMURP-TWDDROGUSA-N 448.416 4.509 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@@H](O)C#Cc1ccccc1Br 2363476618 LYYFGSUYMFTBIX-MOPGFXCFSA-N 436.390 4.977 30 10 IJEE CN[C@H](C#C[C@@H]1CC1(C)C)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2365079280 FNGYAAIMMHBQCP-QRQLOZEOSA-N 435.406 4.522 30 10 IJEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C2CCCCC2)[C@H]1N1CCSCC1 15861728 FLAGTMGGFZGMQU-YXQDFNCHSA-N 426.655 4.880 30 10 IJEE O=C1/C(=C/Nc2ccc(F)c(Cl)c2)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 20131949 ZCKDSFFHDMULAW-BKUYFWCQSA-N 442.899 4.965 30 10 IJEE O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1ccc(OC(F)(F)F)cc1 20836359 NXGJSQSMVDBMFJ-UHFFFAOYSA-N 442.467 4.556 30 10 IJEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC)c(OC)c1)C2 20882486 OMSUWIPWJOLKIM-AZUAARDMSA-N 449.547 4.887 30 10 IJEE COc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c1OC 21349616 ICDSNJXJPRGBCV-JLCFBVMHSA-N 432.476 4.664 30 10 IJEE C=CCn1c(SC[C@@H](O)COc2c(Cl)cccc2Cl)nnc1-c1ccccc1 24095795 VPVSIGMHTCEONA-HNNXBMFYSA-N 436.364 4.970 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc(O)c1)c1ccco1 32555283 OYPNWPACHWWGRC-SFHVURJKSA-N 429.350 4.787 30 10 IJEE Cc1ccc(Cl)cc1N/C(=N\C(=O)c1cccnc1)NCCc1c[nH]c2ccccc12 32943245 UWQSJFDRKWVEKL-UHFFFAOYSA-N 431.927 4.965 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(F)c2)Nc2ccc(C)cc2C)c1C 32973222 TVLBNSSRTIRPHY-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE C=CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCCC3)cc1 33444930 QZZZIMFGLRDSCY-UHFFFAOYSA-N 447.560 4.769 30 10 IJEE O=C1/C(=C/c2cccs2)S/C(=N/N=C\c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 47138976 DQVJLCNIPSOCAE-SNKPKTNMSA-N 438.490 4.756 30 10 IJEE CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)C1CCN(C(=O)c2ccsc2)CC1 102815104 YHKCFQJYSJQFDN-ZNTNEXAZSA-N 441.622 4.511 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929166 NRTVDTUAIJYHPG-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 169953217 RLAYQWUYEDADJS-XMMPIXPASA-N 442.515 4.853 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccn2)cc1 169994749 NPMYNMFQOKHABD-HSZRJFAPSA-N 439.471 4.745 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccncc2)c1 170018363 UUVGNYOERZLELP-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CC(=O)Nc1ccc(C2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170052806 KPIQFNSLFSGJCN-UHFFFAOYSA-N 439.496 4.593 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccc2)c1 170055031 GSYBSOGCPFMHSC-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)c1 170079062 AWDOUQHAQOCNCE-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170102257 KUPXKBPTQHYEHH-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2OC)c1 170126094 WNEVQMAFZIAPLS-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccn1 170181464 LCZXEBQOUKPJBS-HSZRJFAPSA-N 449.595 4.608 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccncc2)cc1 170206020 NJPXYAFAAASQID-XMMPIXPASA-N 431.451 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170226420 KMURWAZLVNEXML-JOCHJYFZSA-N 447.874 4.894 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccccc1 170231667 JBWLGUIUSCHWDZ-HSZRJFAPSA-N 437.536 4.742 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2F)cc1C 170250938 FVNWAFJJBQODKQ-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273423 XXKFHFMRQKXDOU-NZQKXSOJSA-N 435.520 4.540 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(C)o2)c(C)c1 170304961 SAKQIMNLTCKCTF-QHCPKHFHSA-N 429.472 4.923 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2sccc2C)c1 170312618 MYJYDPVBNBOKGI-SFHVURJKSA-N 425.531 4.905 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)ccc1OC 170440619 PWILKGGWUKELOG-FQEVSTJZSA-N 429.900 4.872 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@@H]1c1ccccn1 170478884 KPOJOQOFWWGCLR-MRXNPFEDSA-N 445.903 4.999 30 10 IJEE COc1ccc(-c2csc(N3N=C(C)C(=NNc4nc5ccccc5s4)C3=O)n2)cc1 254791389 MLOIPKNMFRVSBU-UHFFFAOYSA-N 448.533 4.619 30 10 IJEE CCN([C@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(F)c(C#N)c1 431809687 MUGMYNUIGJDNDP-OAQYLSRUSA-N 429.904 4.546 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3c3ncnc4ccccc34)cc2)cc1 442466506 MQDLKAJBWSLLSB-XMMPIXPASA-N 435.487 4.901 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 475552501 ZITVEALXIWLHAF-UHFFFAOYSA-N 448.611 4.889 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)Cc3ccc4ccccc4n3)nnc12 481759405 GLEKUSSEDVKYSQ-INIZCTEOSA-N 427.533 4.502 30 10 IJEE O=C(Nc1cc(F)c(OC(F)F)cc1F)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 491470391 HSJQVZOLDFEJIZ-MRVPVSSYSA-N 440.319 4.720 30 10 IJEE CCN(C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)[C@@H](C)c1ccc(C#N)cc1 495097233 GHJSRCDWHGDKCT-INIZCTEOSA-N 439.585 4.786 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 508846790 HZLPYGFOSRUQNC-CQSZACIVSA-N 447.406 4.679 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 508903365 OKIKDXAVQXSIMX-IBGZPJMESA-N 430.455 4.520 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccccc1-n1cccn1 510882524 KVRGNJJQIPXCPC-UHFFFAOYSA-N 437.503 4.953 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1c(C)[nH]c2ccc(Br)cc12 520139721 FOTQNJKDINFHHC-UHFFFAOYSA-N 442.313 4.904 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc2)c1 521811245 ZBLBBJGSYLVYGJ-UHFFFAOYSA-N 432.524 4.607 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 523047323 BBOCFLYXRRBMCT-HZPDHXFCSA-N 429.973 4.762 30 10 IJEE C=CCn1c(SCc2nnc(C3CCC3)n2C)nc2sc3c(c2c1=O)CCCCC3 543957826 NSPSXWOJMSIVOT-UHFFFAOYSA-N 441.626 4.601 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2nccs2)C1 549270671 JGCPMGRBFYHPGZ-ICSRJNTNSA-N 439.585 4.645 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 549665285 IMXUPYVETDPZRZ-UHFFFAOYSA-N 440.494 4.856 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](c2ccsc2)C1 555249006 CXPIIDHYKPVNAO-NRFANRHFSA-N 432.553 4.551 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)c1 586685725 SXRHODRLJQYVOS-UHFFFAOYSA-N 441.553 5.000 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@H](C)[C@@H](F)C2)nnc1-c1ccc(Cl)cc1Cl 679248951 JXBKUMNPOYIPMB-LRDDRELGSA-N 443.375 4.737 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(F)cc1Br 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C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1507809416 VAEVKYJTFLPEKO-AFMUBRCDSA-N 432.515 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)[C@@H](C)CC 1507819940 WZCRSLSMOSPCPR-HRAATJIYSA-N 435.410 4.907 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1507832560 DFKHMKJLZUJYRT-KNQAVFIVSA-N 445.007 4.833 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H]2C)CC1 1507894730 KJKZIFBKGUYBKI-FXAWDEMLSA-N 442.007 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(CCCN2CCOCC2)CC1 1507916713 DQDPSECDMWJGFA-UHFFFAOYSA-N 445.696 4.798 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1507924626 QDBCRHBYCRWYIQ-XZOQPEGZSA-N 431.584 4.951 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 1507924886 VIBQBENILPNWFD-STZQEDGTSA-N 439.604 4.686 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C(C)(C)C)no1 1507974798 JXDROHSWECMFCE-UHFFFAOYSA-N 436.379 4.725 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)F 1508025576 OKKVUJHASGTQLF-RTBURBONSA-N 436.522 4.994 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(C)o3)nnc2N(C)Cc2cccc(C#N)c2)n1 1511147518 CIZIDQZLRJLDNI-UHFFFAOYSA-N 426.524 4.691 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1511985054 GJPHGVCSWFDXLJ-WOJBJXKFSA-N 426.653 4.822 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1cccnc1)C(C)C 1518430687 DNNCBAFEAPXZQG-JOCHJYFZSA-N 430.556 4.528 30 10 IJEE C=CCC[C@H](C(=O)Oc1cc([N+](=O)[O-])ccc1I)c1ccccc1 1523338132 BJAXDOGBHVGDFD-HNNXBMFYSA-N 437.233 4.855 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)N(C2CC2)C2(C#N)CCC2)s1 1523482045 BCLPRVPKDAXKNO-UHFFFAOYSA-N 432.343 4.632 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)c(F)c1 1527509659 HBQMNTBYDVCASP-UHFFFAOYSA-N 425.504 4.582 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2C)ccc1Cl 1528830778 GMRZOBNSRIRKHD-OXJNMPFZSA-N 432.973 4.640 30 10 IJEE C=C(C)[C@H](NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)c1ccc(F)c(F)c1 1529491805 HPWOZIKZXAACAC-NRFANRHFSA-N 429.417 4.965 30 10 IJEE C=CCN(C(=O)c1ccc(C(F)F)o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531953566 XFMAQYFVGIDZNC-UHFFFAOYSA-N 438.477 4.577 30 10 IJEE C#CCN(C(=O)c1ccc(Cl)cc1OC)[C@@H]1CCOc2ccc(Br)cc21 1538199190 QLABZOGJXRUIQH-QGZVFWFLSA-N 434.717 4.710 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1 1538548119 IGWDEWPYBKZUII-GOSISDBHSA-N 432.973 4.806 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1 1538548120 IGWDEWPYBKZUII-SFHVURJKSA-N 432.973 4.806 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1539035083 LZULCCDQPCULCZ-FVJLSDCUSA-N 433.021 4.743 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)c(C)c1 1539245697 JXEDDWGWKKSKRD-QGZVFWFLSA-N 432.568 4.700 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCC(C)CC1 1539350381 JTGGRYATYNXLLP-HXUWFJFHSA-N 439.673 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1539635483 GUVNUTWJMLTNLW-SQJMNOBHSA-N 449.574 4.799 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1539751895 WYGSRRPHUIPQDO-PMACEKPBSA-N 445.633 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCOC(F)(F)F)CC1 1539841847 BOBYQCTYLQEOMV-UHFFFAOYSA-N 433.434 4.683 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCC2)C1 1539929106 NIRPXHWTRRVKHN-UHFFFAOYSA-N 449.599 4.871 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539999035 VYCZFGDWPGOANJ-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(Cl)nc1 1540155008 IYRZADLUXASVCC-MRXNPFEDSA-N 427.911 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCc1cc(Br)ccc1F 1540161392 JEVBPTDYAGPDLE-UHFFFAOYSA-N 444.352 4.606 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC(=C)Br 1540184552 DZJDYQSLNTWRBL-UHFFFAOYSA-N 448.752 4.730 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540880669 NLKSFZROMREVMS-OAQYLSRUSA-N 434.588 4.555 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2c(C)noc2C)s1 1542833681 DNADJSVGJPVSGX-AWEZNQCLSA-N 447.568 4.627 30 10 IJEE C=CCOc1ccc(CC(=O)N(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)cc1 1544834526 ARKGRPNMZDGKPT-UHFFFAOYSA-N 436.600 4.567 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 1545117766 KOIDCDGDRWYHMQ-LJQANCHMSA-N 432.561 4.508 30 10 IJEE N#Cc1ccc(OCc2nnc(N(CC3CC3)C3CCCCC3)n2CC(F)(F)F)cc1 1555990759 GZPOVWPPQXXUPI-UHFFFAOYSA-N 433.478 4.840 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1558111014 XMRYWOXQVHQDRC-KRWDZBQOSA-N 432.549 4.514 30 10 IJEE N#Cc1ccc(NC(=O)CCN[C@@H](c2ccccc2)C2(CO)CCCCC2)cc1Cl 1559911254 GJOAXVMMWPBUPS-QHCPKHFHSA-N 425.960 4.814 30 10 IJEE Cc1ccc2ncccc2c1S(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1561678274 CKBWYPHAIZLELA-OAHLLOKOSA-N 433.455 4.665 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)C[C@H](C)O2)[C@H]1CCOc2ccc(Br)cc21 1563317991 BXBVUKDHKFENPC-LIRRHRJNSA-N 441.325 4.763 30 10 IJEE C=CCCSCCNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 1565034300 GPOHQAQMOGWZCA-UHFFFAOYSA-N 442.560 4.847 30 10 IJEE C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1565760628 HLVPDCLTMDFHOO-FQEVSTJZSA-N 434.561 4.777 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C 1568914677 GGQIXUHDQACCIO-UHFFFAOYSA-N 438.572 4.980 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1OC(F)F 1586816559 NBIWNMPVOUWXEX-OAHLLOKOSA-N 432.895 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H](C)N1CCCCC1 1587562416 OULRAWDNFBCDOA-ZCNNSNEGSA-N 444.023 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1587563123 XVPQJFXSOLCQSO-LSYVANFTSA-N 440.588 4.622 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1587746055 IBSGMEKDRAJNDE-ISKFKSNPSA-N 442.611 4.633 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1587769075 BCVCKMNYLXDCNE-UHFFFAOYSA-N 433.522 4.626 30 10 IJEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1588399089 MFVXBVLQSLXVCM-ABSDTBQOSA-N 448.489 4.619 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1C1CCC1 1588983686 BOPVYVRBJZVNHX-UTKZUKDTSA-N 428.577 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCCN1CCCC[C@@H]1C 1589223123 CXOMNGJABBVNHG-HFZDXXHNSA-N 437.607 4.655 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC(C)C)C1CC1 1593631709 YYJVTMZKDWJIHS-UHFFFAOYSA-N 431.625 4.984 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1594559174 GPPNQTIPDRVCMC-CVDCTZTESA-N 445.995 4.514 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1594720838 YAAKMLWFYUYYLC-KXBFYZLASA-N 447.461 4.722 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 1594819753 KHDYOOAZNMSJPM-UHFFFAOYSA-N 440.485 4.770 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1595058121 BDQXFXXQMPAOEP-MJGOQNOKSA-N 431.625 4.667 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1c(C)noc1C)C1CC1 1595065550 SRYOVZHINHSHRR-UHFFFAOYSA-N 427.936 4.513 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](SCC)C1 1595658496 FOFNVZBQCGHHGD-RTWAWAEBSA-N 442.629 4.507 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H]2CCO[C@@H](C)C2)C1 1595700712 RLRKNNPXPYARFZ-BBTUJRGHSA-N 430.980 4.585 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)n[nH]2)c1C 1595746070 BYJWESKNVIRSLT-QFIPXVFZSA-N 436.519 4.984 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 1596887242 YHZVAAVPRKTUKP-UHFFFAOYSA-N 449.389 4.818 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Br)cc1C(F)(F)F)C(C)C 1615883942 KFCIFNYGJVPEQG-QGZVFWFLSA-N 433.312 4.896 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2CC)C1 1616615189 HPXKBDDFSDKGJI-FUPPJEDESA-N 437.588 4.560 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)c1 1617686870 AHTFKLHYYWGILJ-DYESRHJHSA-N 437.540 4.883 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 1618073219 NIVNIVOYAOHRIE-UHFFFAOYSA-N 428.426 4.623 30 10 IJEE CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1=O 1618313186 IADAWETXIVVUCL-VUHNXCBZSA-N 429.564 4.851 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(C)CCO[C@H]1C1CC1 1619100997 BZTQFMKINCWUGM-XLHILCRZSA-N 443.979 4.551 30 10 IJEE C=CCOc1ccc(CNS(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1 1622121150 WXQQCLXWHWEBSR-UHFFFAOYSA-N 425.506 4.531 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)n[nH]2)c1C 1625580774 GUNSXUGMHQAVRB-XMMPIXPASA-N 429.499 4.735 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)C(=O)OCC 1627751440 CLZZPMBCWMZSBJ-HNNXBMFYSA-N 427.444 4.941 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(F)cc1N)c1ccc2c(c1)OCCO2 1628565170 GXASXOVJKFKUFA-UHFFFAOYSA-N 434.467 4.591 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1ccccc1OC(F)F 1629763344 ZZTJKMVCOYTQCB-CABCVRRESA-N 432.895 4.891 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cc1OC 1630602369 IAWJNLDBRWLXIT-NTUHNPAUSA-N 426.601 4.632 30 10 IJEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)cc1 1634882008 FPOIQXHWSAFHTH-UHFFFAOYSA-N 446.919 4.857 30 10 IJEE C#CCN(C(=O)CCOc1cc(C)ccc1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1638327674 PDKTWHYLXNGEAY-UHFFFAOYSA-N 442.600 4.749 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCCc2ccccc21 1638384702 QBDIHISLMNUAEN-NHCUHLMSSA-N 439.353 4.995 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 1640397662 VXVZGDHUQRGRGM-UGKGYDQZSA-N 426.582 4.969 30 10 IJEE C#CCN(C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCOc2ccc(Br)cc21 1641795714 PLOFHVUZJLEOMQ-RBUKOAKNSA-N 438.724 4.734 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 1642540816 MUTOTSMQACBUHW-HRZAVBMWSA-N 444.641 4.859 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2C#N)C1 1653427081 IDTLOUIXYATXIL-PIPMEXSNSA-N 432.593 4.845 30 10 IJEE C#C[C@H](Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccccc1 1655604004 ODXOLZVDADILHL-FQEVSTJZSA-N 435.505 4.799 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnn(Cc3cccnc3)c2)cc1OCC 1656313899 XRKSPKMZQCXRBZ-UHFFFAOYSA-N 443.345 4.665 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 1657137974 GEUHVHJKBASPOS-XMMPIXPASA-N 431.467 4.858 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 1658023780 OPFFZWIWEDGYBS-ICSRJNTNSA-N 441.645 4.697 30 10 IJEE Cc1cccc(S(=O)(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1C#N 1664283091 CWGGFNQVQOZGGF-QFIPXVFZSA-N 440.952 4.757 30 10 IJEE CCOC(=O)c1c(NC(=O)N(Cc2cccc(C)c2)Cc2ccco2)c(C#N)cn1CC 1671036337 AGCJMVLPEWPOTK-UHFFFAOYSA-N 434.496 4.692 30 10 IJEE O=C(NCCc1cccc(OCC(F)(F)F)c1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 1671572759 AKVSTVHTDFQBSM-INIZCTEOSA-N 438.343 4.912 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1675393019 CSQJTSOUWKONRU-JWWGGVBKSA-N 437.987 4.675 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC)c1ccc(F)cc1 1676068089 AUHDMHFTCZRXMT-SFTDATJTSA-N 435.465 4.901 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1681783536 MFOFAYYCWZWXAY-KNBMTAEXSA-N 437.531 4.774 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1682683018 IPNIHYWXHGKGPZ-MAUKXSAKSA-N 440.466 4.580 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1682683020 IPNIHYWXHGKGPZ-QAPCUYQASA-N 440.466 4.580 30 10 IJEE C=CCCC1(CNC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CCCC1 1683984785 JUQJSGANLVCVNP-MOPGFXCFSA-N 443.554 4.878 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(Br)cc(F)c2C1)c1ccc(Cl)cc1F 1686922685 NNCIKGPAORZRDY-GOSISDBHSA-N 439.687 4.823 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1689874851 CLBQIUDETSNMOH-INIZCTEOSA-N 435.403 4.624 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)C1CCCCC1 1689973989 YBNDSCFATLGOPU-SANMLTNESA-N 438.616 4.555 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1cccs1)N1CCCC1 1690062308 KMGBZRPWJGYMTG-FQEVSTJZSA-N 440.016 4.957 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCC[C@H](C)C1 1690088327 ISRCADDRXFOAFE-VQTJNVASSA-N 449.574 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(CCOC)CC1 1690193798 SBOOLEAKSAZSMC-PXDATVDWSA-N 436.600 4.844 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OCCC)CC1 1690224084 ALMQRROWBNWLAG-MRXNPFEDSA-N 437.357 4.778 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1690405003 YNUINSMHNFSHFJ-FQEVSTJZSA-N 447.549 4.794 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2cc(COC(C)(C)C)on2)CC1 1690412164 GJGVPDSASFZDJK-UHFFFAOYSA-N 449.599 4.931 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1690742323 MPLBPCBOEKBIKG-QHCPKHFHSA-N 449.624 4.708 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)[C@H](C)CC)CC1 1695469084 HHDZHWNEGHXNBW-UEVCKROQSA-N 439.604 4.663 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CC(C)(C)C2)cc1 1696140487 GYHQPMGDJOGLGO-BXKMTCNYSA-N 441.551 4.695 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CCc1cc(Br)ccc1F 1705498756 CYKZFVVFFXNQAN-HNNXBMFYSA-N 433.369 4.613 30 10 IJEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cc(C)cs1 1705664178 WVTYVRSSXFPARF-UHFFFAOYSA-N 435.622 4.723 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1705777020 VSFZERCYXDNOIR-HBFSDRIKSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1705777864 RMJQNYXTOHKRTA-OALUTQOASA-N 443.039 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1nccs1 1705786768 XELKYUVJYPYRPU-UHFFFAOYSA-N 435.395 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1705794264 AVSPRUOLGZRBBN-JOCHJYFZSA-N 434.588 4.789 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)c1ccccc1 1705796292 CCXMYBAGBFUTMY-ZLNRFVROSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705806604 IKCURGRTCYNNIW-LJQANCHMSA-N 447.624 4.760 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1705813514 KEHIUUMUCYLWBY-FQEVSTJZSA-N 443.039 4.908 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)Cc1cc(Br)cs1 1705821037 IVVZGGZBGSNFMH-UHFFFAOYSA-N 432.391 4.691 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC[C@H](C)C1 1705838577 UHOMJJKYHZUNRC-SFHVURJKSA-N 432.012 4.741 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ncc(CC)s1)C1CC1 1705856078 FBNBJMGVCGBTSO-UYAOXDASSA-N 429.634 4.613 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705863699 BUGGDUUTAMBOEI-IAGOWNOFSA-N 441.567 4.930 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705871636 RAZUKCBAGITVLH-BKMJKUGQSA-N 436.600 4.759 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[C@H](c3ccnn3C)C2)cc1 1705909793 IEMGJXJFOVDPMP-CTNGQTDRSA-N 434.588 4.522 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(COC)cc1 1722281332 MZVHPVYRGKVMKT-GOSISDBHSA-N 434.609 4.928 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1722321119 WHOOWGXWBGNWJE-FXAWDEMLSA-N 443.389 4.802 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722327690 NCTJAQCYGKLTPQ-PUOLSWATSA-N 433.644 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCC(C)CC1 1722499667 DGSYVZWFVMHXJQ-HXUWFJFHSA-N 429.584 4.692 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(OC(C)(C)C)CC1 1722504530 NYAJTDXUAARXAC-NFBKMPQASA-N 430.637 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722513127 RSNGYXAWAJOGPI-QGZVFWFLSA-N 438.576 4.742 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1722523323 NFYQHMAFMXYPKW-GJZGRUSLSA-N 441.523 4.608 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1722550371 JLJGXHDYJFWZPX-NRFANRHFSA-N 437.975 4.629 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1722594117 GENIFGUNADWPOW-NFBKMPQASA-N 437.632 4.846 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)c1ccccc1 1722594835 RGJHRQYCFWWUMA-GMAHTHKFSA-N 434.588 4.556 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCCCC1 1722601653 ZHVOREJMRKOPIG-UHFFFAOYSA-N 434.588 4.802 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 1722608518 GJYZTGZZXZRBCD-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1722645212 DUMGBHPYAAMUQB-JKSUJKDBSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C1CC1 1722663009 PZEWNCKLZRSDMJ-SFHVURJKSA-N 429.590 4.939 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CCC2(C)CC2)c1 1730029822 HZCRTFMGLAZZRY-CQSZACIVSA-N 432.366 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(c2ccccn2)CCC1 1740537112 RLHYTMOJGXOCFR-QGZVFWFLSA-N 437.494 4.521 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCCCC2)C1 1740584530 HNEHOLLDYJVTPE-LJQANCHMSA-N 426.536 4.510 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCCC(F)(F)C1 1740643725 RRMRTFUGRVHMIJ-LJQANCHMSA-N 435.522 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1C[C@H](F)C1 1740773588 YUXVZSYUHQCCGE-VAMGGRTRSA-N 449.615 4.933 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N(C)C2CCCCC2)CC1 1740820974 YVSWYDFISVLURH-UHFFFAOYSA-N 445.970 4.685 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 1740826625 QURXPEQQOOOCQJ-HXUWFJFHSA-N 425.577 4.529 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCSCC(C)C)CC1 1740836890 OOUVGQJHNBGZSY-UHFFFAOYSA-N 430.618 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740851758 BSDMFPNUAXMRJW-OALUTQOASA-N 445.007 4.976 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 1740853790 ADXHUEGJXUTWOS-ZJSXRUAMSA-N 449.643 4.989 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C)C1CCN(CCC)CC1 1740872604 PLAWLFWTIJICJI-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C)c1 1740887239 APVAPRGRLHKVQF-UHFFFAOYSA-N 444.377 4.573 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1Cc2ccccc2[C@H]1C 1740888814 JFYIGLTZKIYGGL-OAHLLOKOSA-N 442.361 4.710 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCC(OC)CC1 1740924732 BGCCHMCXCGODJN-UHFFFAOYSA-N 432.572 4.719 30 10 IJEE CC(C)(C)Oc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)cn1 1741983865 FYYQZCSHWQZLEB-RUZDIDTESA-N 448.546 4.835 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCCCC1 1743928068 GMACYAABCPXPKN-ZJSXRUAMSA-N 438.595 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1cccs1)N1CCCC1 1748649701 SCCTWLAJRBXDQH-YLJYHZDGSA-N 440.016 4.955 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)CC 1748713986 GIXIZULVYXIIMT-PMACEKPBSA-N 431.625 4.678 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1748718203 GVSXWPIKBFUJFX-IBGZPJMESA-N 438.601 4.624 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](COCC)C1 1748734360 FKMLXRMFQHCSOS-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(C)(C)OC(C)(C)C1 1748735964 VCEXHFRAYUFURY-KRWDZBQOSA-N 426.630 4.939 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(O)(C(F)(F)F)CC1 1748739090 VUZARBCQWTXOPU-UHFFFAOYSA-N 447.288 4.559 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCO[C@H]1C(C)C 1748775424 LNHCNNKMJPHKOG-UGKGYDQZSA-N 426.630 4.796 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1748945340 QSOLLXVHXBIMCP-RTWAWAEBSA-N 439.623 4.766 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(CC)s1 1748945697 XVXKRMYTXKFSQF-JOCHJYFZSA-N 438.572 4.971 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(CC)(CC)OC)CC1 1749330634 KCLQVOCKRQPMDJ-UHFFFAOYSA-N 436.398 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(F)(F)F)CC1 1749352789 WMTVBZVECRCERQ-UHFFFAOYSA-N 429.531 4.578 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)Cc1ccc(F)cc1 1749426797 HTGNUNSBEAORNT-UHFFFAOYSA-N 449.578 4.584 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749433378 HLWFCOWMQHSWJQ-QHCPKHFHSA-N 448.615 4.693 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CCC2)C1 1749448188 USYWRPRERUYSMC-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCSC 1749548738 IIUWCUDMZJGAAM-UHFFFAOYSA-N 442.610 4.724 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CC1CCN(c2ccncc2)CC1 1749586531 YPUMYHVCCVBPJC-UHFFFAOYSA-N 434.588 4.541 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCCN2CCC)C1 1749699619 BXDKSQFBAJRIQH-BJKOFHAPSA-N 437.632 4.553 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1C1CCC1 1749746429 YSTYUAKTUJHJID-NRFANRHFSA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1749746570 HUJLUSBFDMNPBK-APWZRJJASA-N 430.599 4.794 30 10 IJEE C=CCSCCn1c(N2CC[C@@H](C)[C@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1749763619 DOERMFDFVOQZQB-TZIWHRDSSA-N 426.630 4.529 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C 1760453374 UTAHZKOQWIQACB-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760455939 CQJLNPKLQQDDMS-CVEARBPZSA-N 449.983 4.607 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(F)c(F)c1)C1CC1 1760475734 RUFXHIRPMAVOOS-WIYYLYMNSA-N 430.543 4.872 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCC2(CCCC2)C1 1760567291 VOWNRDADSAZFRK-UHFFFAOYSA-N 426.630 4.957 30 10 IJEE Cc1ccsc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1 1761629032 CQOHOYXGXBOYGG-FDDCHVKYSA-N 439.560 4.895 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1766349773 DIURUIMWOAJABI-HMXCVIKNSA-N 425.602 4.668 30 10 IJEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1767984559 AJKAICNNSVMEDT-HXUWFJFHSA-N 437.569 4.557 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1770403020 GWDDITBKYUNBOD-ICSRJNTNSA-N 425.602 4.639 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1c(C)coc1C 1772516132 JACCQDQGTSOVRL-UHFFFAOYSA-N 444.579 4.876 30 10 IJEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=NN=Cc2ccccc2)N1Cc1ccco1 1772757542 HDTNWDSDIPFFPN-NQFKXEMJSA-N 432.461 4.694 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1C(=O)O)c1ccccc1Cl 1862433751 KANLCDRZERUPID-HXUWFJFHSA-N 439.895 4.949 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862474502 PDNDLHVVWHAVKK-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(O)c2)ccc1F 1862507987 WITCEUBEUDNLCO-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc(C)c2)cc1 1862515933 WHRJMWJIZPPGBB-HSZRJFAPSA-N 437.536 4.525 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2F)c1 1862590969 RYWVCJYEGBPYKK-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(F)c1 1862626879 HPISYOFKRKTRDZ-OAQYLSRUSA-N 425.456 4.713 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2ccccc2)c1 1862746407 FVORXRBCSDKEGC-HSZRJFAPSA-N 442.471 4.724 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2)C1=O 1862767138 SWNXWBXHPHDFRV-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(C)ccc3C)C2=O)c1 1863027717 CJHZFJXIUHZEOZ-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE CCCOc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)c1 1863103165 XLWOVPJZUBMWAL-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(Cl)cc2OC)=C(c2ccc(OC(C)C)cc2)C1=O 1863356900 MOTJJBBEMBPMFC-UHFFFAOYSA-N 440.927 4.822 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCN(CC)CC)C1=O 1863646986 ADAOMXMWTNHMTF-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE CC(C)[C@@H](C(=O)NC(C)(C)C(=O)Nc1ccc(C#N)cc1)c1ccc(Br)cc1 1866976546 DTCAEVSQWFCEFR-LJQANCHMSA-N 442.357 4.594 30 10 IJEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CSc2ccccc2)cc1=O 1870300690 PWXMKUIQYWTOBD-QFIPXVFZSA-N 425.937 4.540 30 10 IJEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870340102 SLVBOYCUVPTIBX-UHFFFAOYSA-N 449.982 4.589 30 10 IJEE C=CCOc1cn(Cc2ccccc2)c(CNc2cccc(Br)c2)cc1=O 1870810557 INHMSMNENLZGFM-UHFFFAOYSA-N 425.326 4.836 30 10 IJEE C=CCn1nc(C(=O)Nc2cc(Cl)ccc2Cl)c(I)c1C 1871324123 MNKMRMYJJKFNCL-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE CCN(CC)CCN1COc2ccc3c(c2C1)O/C(=C\c1cn(CC)c2ccccc12)C3=O 1871349340 PBXZWANDCNEIFY-MYYYXRDXSA-N 445.563 4.771 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)c1 1871391434 WKPHZGRZTBOODO-XKZIYDEJSA-N 443.455 4.931 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872412069 BLJOFGHYKVWZFX-QFIPXVFZSA-N 428.598 4.986 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SC)cc1OCC 1874265851 RXZCCWHCIPUYOV-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2/N=C/c2cccc3ccccc23)cc1C 1874321453 SEQYRELRJOGIMB-WGOQTCKBSA-N 446.576 4.984 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874333768 XNDPHSRHOALNHX-WWJLXRQJSA-N 443.617 4.566 30 10 IJEE CCCOc1c(/C=N/n2c(Cc3ccccc3F)nnc2SCC)cccc1OC 1874375338 QYZIDXNLDRYLDS-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2cccs2)c1 1874459346 IUZSFLWVWJOSRU-LSFURLLWSA-N 439.488 4.588 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1sccc1C 1874504614 VYPVALSJFRUXQB-LPYMAVHISA-N 427.599 4.776 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874530026 NFKBQFKAHZQBHI-LSFURLLWSA-N 438.315 4.645 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(F)cc(Br)c3)ccc21 1890558129 UBUOXJAUCUMJSC-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2s1 1891873229 FUPWKGTVJPGKIQ-UHFFFAOYSA-N 434.395 4.641 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922073796 HOUPRZPDCLTUMV-PKTZIBPZSA-N 426.557 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1949192573 AAAIQVQHFHUOBA-NRFANRHFSA-N 434.541 4.607 30 10 IJEE c1ccc(CN(CCCN=C2N[C@H](CC3CCOCC3)CS2)Cc2ccccc2)cc1 2019164891 VVYGMGVDVVELTP-RUZDIDTESA-N 437.653 4.957 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NC 2047972704 FZGOZXZSGFAJFH-DLBZAZTESA-N 429.786 4.540 30 10 IJEE Fc1ccc(Cn2ncc(I)c2C(F)(F)F)c(C(F)(F)F)c1 2079124450 JORIWRNGULUURJ-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080005255 JTNWVMICDZESRR-AWEZNQCLSA-N 432.240 4.789 30 10 IJEE CC[C@@H](c1ccc(OC)cc1F)n1nc(C(C)C)c(C#N)c1I 2080038605 SEYFIYSGXJMBQW-HNNXBMFYSA-N 427.261 4.630 30 10 IJEE COc1ccc(-c2cc(Cl)n3nc(C(F)(F)F)c(C#N)c3n2)c(Br)c1 2081395905 ANBINELJUFYNHN-UHFFFAOYSA-N 431.599 4.711 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2110499960 FLQWGKCPXWVBGV-ROUUACIJSA-N 443.813 4.930 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111268267 LOQJEQNLDQSKPX-MSOLQXFVSA-N 443.813 4.848 30 10 IJEE C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2118201653 SOXKSIKANAPSIC-STQMWFEESA-N 426.330 4.542 30 10 IJEE CC1(C)OB(c2cccc(COc3ccc(Br)c(F)c3F)c2)OC1(C)C 2152616725 ZKESIXSFAZDAON-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCCC(C)(C)NC(=O)OC(C)(C)C 2179467072 CGROQZZPVSKTHB-UHFFFAOYSA-N 439.394 4.634 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CC=CCC1 2196078586 CHYOTFVNTNKQQR-CXAGYDPISA-N 434.334 4.509 30 10 IJEE N#Cc1ccc(O[C@]2(C(=O)O)CCCC[C@@H]2OCc2ccccc2)c(Br)c1 2197254082 QFOHDJCLSMQDKD-PZJWPPBQSA-N 430.298 4.682 30 10 IJEE C=CCN(CC[C@H](NCC)c1cc(Br)nn1CCC)C(=O)OC(C)(C)C 2224278794 VQTBMTGOJIDNIJ-HNNXBMFYSA-N 429.403 4.519 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CCC1CC(NC(=O)OC(C)(C)C)C1 2235723842 FHVBLDIRNPUXGG-CUYAVPTFSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(C(C)(C)Oc2cc(Br)cnc2C#N)CC1 2236934745 JBKWBVBQIUBWSG-UHFFFAOYSA-N 438.366 4.957 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1 2258338594 SNAOEYQNPWLEDF-CZKAHXPPSA-N 443.544 4.586 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccccc1NC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267093461 UTLMUNPIUTYPKT-ROUUACIJSA-N 444.381 4.565 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267187268 VUHFNGPDYNJKPU-GOSISDBHSA-N 442.365 4.764 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccs1)C(=O)C#Cc1ccc(Br)cc1 2278738400 VPZBMYRHTAUNBI-QGZVFWFLSA-N 434.355 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](O)C#Cc1cccc(Br)c1 2278743727 JMGSIWPYGSAOLT-SJORKVTESA-N 442.419 4.587 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@H](O)C#Cc2cccc(Br)c2)c1 2296217290 SNMFYVRGJYRMAI-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](C(=O)C#Cc1cccc(Br)c1)C2 2296223507 AMKVCOJBAUXKTG-LNLFQRSKSA-N 432.358 4.653 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)C1CCC1 2296285217 ZOAMCISWHDNWSW-IBGZPJMESA-N 435.406 4.958 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccc2ccccc12 2321178263 AOAPZPQTSNDPDP-UHFFFAOYSA-N 426.505 4.563 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)C1 2321271548 IHRMTCQXWXFJLS-CYFREDJKSA-N 445.560 4.655 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2321511142 LCCWWNQIGGEHOX-RTBURBONSA-N 445.560 4.655 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)N[C@@H](C)c3ccccc3)c2)c1 2323068391 FXBORRWSPNSODZ-IBGZPJMESA-N 445.515 4.856 30 10 IJEE COc1cc(C=NNS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 2323358089 BVPSKJILKAGGPK-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC 2324305806 IRWBXOFASPRLNJ-UHFFFAOYSA-N 426.509 4.939 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Br 2324450323 IHHJTGDZUZOYQU-UHFFFAOYSA-N 430.342 4.867 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)Nc4ccc(O)cc4)ccc3C2=O)c2ccccc21 2325549668 CICZGLWJPMSNRA-UHFFFAOYSA-N 440.455 4.518 30 10 IJEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(Br)ccc1O 2325633081 JUZHUDMVBIDMLN-UHFFFAOYSA-N 437.750 4.883 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccccc1OC(C)C 2326795748 OQXIFAHYCFDETG-UHFFFAOYSA-N 426.542 4.647 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(N(C)C)cc1 2328636570 BRDDONLNPGZEGY-UHFFFAOYSA-N 435.597 4.688 30 10 IJEE COc1cccc(CCc2nnc(SCCCO)n2N=Cc2ccc(C(C)C)cc2)c1 2328658047 QPJQLQBBSOMKJQ-UHFFFAOYSA-N 438.597 4.552 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(N(C)C)cc1 2328689848 HDTBSSZGDQCFCK-UHFFFAOYSA-N 435.597 4.688 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC)c(OC)c2)c(OCC)c1 2331733949 IQZRJOMOMUKBLU-UHFFFAOYSA-N 428.481 4.713 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CC2)cc1OC 2331734100 HHTLSDDMAAMBJA-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339537529 RFYNBQOGUGIWEV-OAQYLSRUSA-N 433.405 4.685 30 10 IJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(Br)cc1I 2339577686 VWAUMAPWHMIBOC-NHYWBVRUSA-N 432.143 4.754 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2358672115 SGPLNINHMFZMLG-FTEYMNFISA-N 433.390 4.567 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(COC)c1 2362289422 BPMMDFIOBYAMNS-OALUTQOASA-N 439.394 4.553 30 10 IJEE CC[C@H](N[C@H]1CN(Cc2ccccc2)CC1(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845147 YODNVMYVZQNPPD-DQEYMECFSA-N 448.460 4.937 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)cc1 41656730 NAQAVNXMRCKNJJ-CFRMEGHHSA-N 429.472 4.672 30 10 IJEE COc1ccc(C)cc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 64473829 KJCPGWZDICJZOO-UHFFFAOYSA-N 434.927 4.932 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C 100222672 YWWXPZPBBVOWOP-LJQANCHMSA-N 426.598 4.576 30 10 IJEE CCOc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 102728313 AOURVNGSEHOJKZ-FOKLQQMPSA-N 430.412 4.649 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(OC)c2)c1 169930771 DMNPRSMUHCHJFI-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2OC)cc1 169948338 OCXOVDDDDUWWML-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(O)cc1 169964260 BMWVCTPYZLRPTR-HSZRJFAPSA-N 435.426 4.772 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccco2)cc1 170096370 CWCYAMIABQUXNZ-HSZRJFAPSA-N 431.488 4.726 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccco1)c1cccc(Cl)c1 170099201 CJXIFPOQGAJTMB-GOSISDBHSA-N 437.814 4.731 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)c1 170117667 DXVPMQRJMNIMQH-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140463 OYKGXOUYQRRDRY-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170150017 WGPDLHRQNQBIHC-QFIPXVFZSA-N 435.520 4.744 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1OC 170159541 SRKVAUXLTQRUSX-NRFANRHFSA-N 435.501 4.857 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)cc1C 170162215 VGZHJRNEYLKJDZ-UTKZUKDTSA-N 441.549 4.603 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)ccc1OCC(C)C 170230192 WHERTLOUYKVGCA-URXFXBBRSA-N 449.547 4.787 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1 170231326 WLMOEUUZGNGYMH-OAQYLSRUSA-N 448.906 4.831 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1CCCOC(C)C 170278208 URNTWQSQRVAOFQ-UUOWRZLLSA-N 449.547 4.712 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)c1 170289654 HWWPLZYDHJAAPG-QHCPKHFHSA-N 442.471 4.969 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(F)cc2)ccc1OC 170442201 HNGPIYHTHMFEGI-NRFANRHFSA-N 441.499 4.744 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170474390 YLEJRCDWIOIREQ-HXUWFJFHSA-N 433.508 4.865 30 10 IJEE CC1CCN(S(=O)(=O)c2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2)CC1 252460608 GRVUEJRJBMOHOL-UHFFFAOYSA-N 427.353 4.870 30 10 IJEE CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccco1 254492152 DTXKGGUKFLTTET-UHFFFAOYSA-N 428.496 4.658 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 407157293 LMTLUSQNQLEYJV-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NC 407386534 DRFVKEZDDMETBN-CVEARBPZSA-N 433.337 4.717 30 10 IJEE CN1CCC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H]1c1cccs1 442222603 ZSAAQHSYTSVJBE-SCLBCKFNSA-N 438.475 4.723 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 460541951 HLMKYTABCBHIJB-QPPBQGQZSA-N 446.551 4.889 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2sc(N3CCCC3)nc2s1 475323135 WLNMIXOEGRWYRI-UHFFFAOYSA-N 428.539 4.695 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 482169668 NLCHYNUNDIVWRC-LSDHHAIUSA-N 429.590 4.737 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1ccc(Br)cc1N1CCOCC1 505000644 IBHVRPVQOLZGCR-UHFFFAOYSA-N 444.373 4.726 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Oc2ccc(F)cc2)CC1 508491420 TYFOIBDPUGMZJS-QGZVFWFLSA-N 440.494 4.930 30 10 IJEE C=CCN(C(=O)C1CCN(C(=O)c2ccccc2)CC1)c1nc(-c2ccccc2)cs1 525632441 GYRSUQFRVPLCCX-UHFFFAOYSA-N 431.561 4.882 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)c(O)c2)c1 526744915 UERKCXYFTGQEKL-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526803535 YHSKNCOSBVDCAS-CFRMEGHHSA-N 428.533 4.950 30 10 IJEE CCOc1c(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cccc1OC 526817430 MXMLEGDIKHXWTD-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2nccs2)C1 549270673 JGCPMGRBFYHPGZ-UYAOXDASSA-N 439.585 4.645 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1 549638171 NNNDRKSPMMLDPJ-UHFFFAOYSA-N 429.568 4.556 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 555264720 VWNZWESBLDDMKZ-JYFHCDHNSA-N 428.536 4.556 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)Cc1nc2c(s1)CCCC2 559004253 MFGQTJVFMALEJU-UHFFFAOYSA-N 427.549 4.544 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 568547117 RWLAMOBZCPQQDP-SANMLTNESA-N 433.511 4.576 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3cc(F)ccc3F)C2)c1 586056536 YZKXDMZKWMVDQP-HXUWFJFHSA-N 441.522 4.837 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)CCCN1C(=O)OC(C)(C)C 792530251 NRHRUGMKBASRBC-DEOSSOPVSA-N 429.561 4.874 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1sc(SC(F)F)nc1C 796635380 ZJXCVGMWQXGXDC-CQSZACIVSA-N 437.537 4.781 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802575533 ROGKMEQCLMMOCV-DEOSSOPVSA-N 444.579 4.635 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1ccc(C)o1 809896130 FGZIZPFVZLWLSE-RBUKOAKNSA-N 441.576 4.822 30 10 IJEE CCc1ccc(N=C2C(=O)N(CN3CCN(c4ccc(F)cc4)CC3)c3ccccc32)cc1 1084324282 JBSIEGKTPUGRES-UHFFFAOYSA-N 442.538 4.635 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccc(C)cc1 1084402911 XIKGMPZRMHKWDQ-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE C=CC[C@@]1(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1126857793 JWFUSCGAUKQROE-QFIPXVFZSA-N 436.474 4.519 30 10 IJEE C=CC[C@@H](OC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)c1ccc(Cl)c(Cl)c1 1128330840 RVHMCXTYTRXCTQ-MRXNPFEDSA-N 433.251 4.957 30 10 IJEE CCc1ccc(-c2nc(CC(=O)Nc3ccc(Br)c(C#N)n3)cs2)cc1 1130237074 CCDXIURUVRVNRY-UHFFFAOYSA-N 427.327 4.583 30 10 IJEE CC(C)(C)c1ccc(C(F)(F)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 1135836190 GJKFHFUISGUZSX-UHFFFAOYSA-N 425.523 4.682 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 1135951177 SAFCEYVSDFQTJQ-OAQYLSRUSA-N 426.488 4.650 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 1146895144 MTAPUNQDCUWIEA-XMMPIXPASA-N 430.504 4.535 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCCC1 1165339747 IVABLUWHYKBSGI-HBMCJLEFSA-N 434.621 4.824 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(Oc4cccc(F)c4)CC3)c2C#N)C1 1174818473 GGZGNJGJCIOXAW-INIZCTEOSA-N 441.572 4.756 30 10 IJEE C=CCN(CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)Cc1ccc(OC)cc1 1190457837 RYCZSMZGNQTGFB-HHHXNRCGSA-N 426.560 4.858 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(SCCC(=O)OC)c1 1202820437 QPYHLOVJSGDRJB-UHFFFAOYSA-N 430.574 4.729 30 10 IJEE C#Cc1ccc(NC(=O)NC2(c3cccc(Br)c3)CCOCC2)c(Cl)c1 1209897628 DMSXZLJUPPDDQC-UHFFFAOYSA-N 433.733 4.911 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 1215510382 QMMPNCUODNCXSE-UHFFFAOYSA-N 437.515 4.775 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)cc1 1264599951 WVGOUFAGWABHLN-UHFFFAOYSA-N 444.874 4.795 30 10 IJEE C=CC[C@]1(C(=O)O[C@H](C)c2ccc(-n3cccn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1273882600 IAUNQGFHSBVDFX-MZNJEOGPSA-N 443.519 4.961 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCOCCC(C)C 1286400568 IJRAZTPQFXWULN-UHFFFAOYSA-N 441.000 4.949 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1286505700 KEGJEXMTHAPOAY-HXUWFJFHSA-N 426.586 4.777 30 10 IJEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)Cc1ccc(Cl)s1 1286594456 RUEHHTJXGYSENA-UHFFFAOYSA-N 426.977 4.834 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC2CCCCC2)CC1 1286601148 KYWNTZFNGLAAAD-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 1286646438 RBDYQMKJEVEUPV-HSZRJFAPSA-N 437.632 4.869 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(CC)C(C)C)CC1 1286654204 BZQVAQDNDDHOOB-IBGZPJMESA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC2)CC1 1286674366 CXVXHRAHGVLFME-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1286684679 LMBCLWHIKIEXGN-VWLOTQADSA-N 440.588 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccc(F)cc1 1286746772 AETKOZYDIGVCQV-DEOSSOPVSA-N 449.555 4.641 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1 1286761315 WTBGNGAUXPGDGS-FYYLOGMGSA-N 431.584 4.780 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1c(Cl)cccc1OC 1286764362 NBSAPNCPYGYYLD-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@H]2CCCCO2)C1 1286803873 HUOFTTMJWKGDKE-RTBURBONSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CC(C)C)C1 1286826071 VTZJVTWSSICLHD-HNNXBMFYSA-N 438.439 4.827 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C2CC2)cs1 1288505681 AQKCRZAQMSWJPA-ZDUSSCGKSA-N 444.511 4.667 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1ccccc1 1289586525 JXSABAMUCRWUPF-LJAQVGFWSA-N 439.558 4.514 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)C(C)C 1300283340 SUZKAINTRQYLES-QGZVFWFLSA-N 425.577 4.611 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C2CCC1(C)CC2 1300361058 AKDJRGFPCCMHNR-USEFPYCQSA-N 441.620 4.717 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)=C(C)C1 1300745116 FSCQDUHOPHRRCN-UHFFFAOYSA-N 449.393 4.760 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1300999408 BAEGTUSABQNJGV-SFHVURJKSA-N 438.494 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301145924 MJSUFJIZZNAOIC-CRAIPNDOSA-N 438.494 4.712 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1301226801 JBOFXUFKSXSCQS-UHFFFAOYSA-N 430.581 4.765 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1301294964 DBXFQXRPWLWPKJ-LJQANCHMSA-N 427.549 4.537 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CCCOCC)C1CC1 1301316567 FWPWSYLKIMKGFD-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE COCCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1301414995 DCMZRRUUKNZZSH-KRWDZBQOSA-N 445.995 4.874 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](OC)c2ccc(Cl)cc2)C1 1301555492 CFKQPFQZDFXQEH-VQTJNVASSA-N 432.996 4.689 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC(F)(F)F 1301601883 TVDDZEBPUVODOP-UHFFFAOYSA-N 435.313 4.625 30 10 IJEE C[C@@H](NC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1303794646 AJDLKJVHINEJOD-IBVKSMDESA-N 445.615 4.543 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)CC(C)(C)C2)o1 1306609876 FNDKOJJUOCXVPH-QGZVFWFLSA-N 432.572 4.986 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CCCC3 1307261575 VOOQLIKCNJSYDZ-ZMSDIMECSA-N 445.654 4.698 30 10 IJEE COc1ccc(-c2nc(SCc3cc(F)ccc3OC(F)F)nc(O)c2C#N)cc1 1307263604 KRMFUTZHLDJWKS-UHFFFAOYSA-N 433.411 4.762 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCNC(=O)OC(C)(C)C)cc1 1309649438 NVPMUEZTCSSNDI-WIYYLYMNSA-N 436.618 4.509 30 10 IJEE C=CCC1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)CCCC1 1312685537 FTNOOJCRLTXOOB-SJORKVTESA-N 447.542 4.858 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21 1313194753 GQAYRQOWSVBOAO-PCCBWWKXSA-N 427.342 4.807 30 10 IJEE CCO[C@@H](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C#N)CC1)C(C)C 1314060052 BUSXDNQNKQGTAE-QHCPKHFHSA-N 447.587 4.526 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)cc1 1351101503 CHVNOMFSJKWGTM-NRFANRHFSA-N 443.588 4.652 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CC(C)(C)CC(F)(F)F)c(C(=O)OCC)c1C 1355007656 GJMXSYVGTNXFMJ-UHFFFAOYSA-N 435.464 4.883 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1cc(Br)ccc1Cl 1356377986 MCAAHKVBNPJTKF-UHFFFAOYSA-N 428.717 4.780 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 1358377997 OJHPJPZLPWUSMG-NRFANRHFSA-N 431.349 4.940 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C(C)C)C1 1358922582 KBFBASHGNWERAR-SFHVURJKSA-N 433.419 4.699 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@@H](C)C1 1358982541 APFONZALFLAFSX-SJORKVTESA-N 431.367 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1359063590 YLGCCUDSXLFUOZ-MFSJNOQSSA-N 425.646 4.712 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(CC)C1 1359080693 ALOCYVGMDAEOOD-GOSISDBHSA-N 425.758 4.512 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359123479 PUGASUZBCROYGX-OAQYLSRUSA-N 439.604 4.523 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359156345 CHIVBIMOZZJEQY-SFHVURJKSA-N 448.036 4.516 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2oc(CCC)nc2C)CC1 1359166522 WEBVYYHUAPTQEP-UHFFFAOYSA-N 427.499 4.601 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359174308 ZSVAUBKRDSRGOU-AZUAARDMSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCc2csc(C(C)(C)C)n2)CC1 1359180063 PVSQQQASMIXUCV-UHFFFAOYSA-N 436.629 4.663 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1 1359205675 GGSZPXMTJMXVFU-OAQYLSRUSA-N 425.602 4.807 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N1CCCCC1 1359268153 FRAAPHKSSUQFJW-UHFFFAOYSA-N 435.616 4.824 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1Cc1c(F)cc(F)c(F)c1F 1359278136 JISLOJTYRNLKFI-UHFFFAOYSA-N 434.437 4.663 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1359284484 RTDNTUILBLQKIY-JKSUJKDBSA-N 449.393 4.544 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(OC)CC1 1359310398 VFJDLTDCHNUJAR-RDGATRHJSA-N 440.588 4.528 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[C@H]2C)C1 1359317723 OUJJQBPTXHPWQE-HLAWJBBLSA-N 440.588 4.570 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2cc(C#N)c3ccccc3n2)cc1 1436180664 CPODRTNKJIQMGB-OAQYLSRUSA-N 444.560 4.558 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](COc3ccccc3)c3ccccc3)n[nH]2)c1C 1443684279 BALGHDJGFLIPKS-XMMPIXPASA-N 441.535 4.626 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]1c1ccc(Br)cc1 1453936645 SASLBCKSVJCSBL-ROUUACIJSA-N 437.378 4.972 30 10 IJEE C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 1458354699 FXHGGPMGGJJVFS-QGZVFWFLSA-N 435.351 4.696 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl 1460388587 KIIWRJSXTKQRGD-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1 1464357008 HMLMNPMUSNLTTA-UHFFFAOYSA-N 445.563 4.995 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1467931781 HCBWKGVBRJADGE-QGZVFWFLSA-N 428.529 4.576 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C/C1CC1 1468313712 QMSDIUIJTGJWJN-LAUDKDLHSA-N 430.548 4.942 30 10 IJEE CCN(Cc1cccc(Br)c1)C(=O)NC1CCN(c2ccccc2C#N)CC1 1470982063 BYCXYKDYZQTXDO-UHFFFAOYSA-N 441.373 4.521 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@]3(Cc4ccccc4)C=CCCC3)n[nH]2)c1C 1471045142 CARYPQMGSFBOEA-AREMUKBSSA-N 429.568 4.775 30 10 IJEE C=CCC[C@H](NC(=O)CCc1c(C)nc2cc(O)nn2c1C)c1ccc(C(F)(F)F)cc1 1472533878 DKVUJTGADMBXLQ-IBGZPJMESA-N 446.473 4.827 30 10 IJEE C[C@@H]1C[C@H]1n1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(C#N)cc1 1493365072 DINSPLTTYFFWIG-IUODEOHRSA-N 428.359 4.858 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)C1 1499486740 DDVMFTIEVWJXLE-BDTNDASRSA-N 434.632 4.811 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@](C)(CC)O1 1507618754 PNISCNKKOGYZSO-IERDGZPVSA-N 437.371 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(CC)c1 1507762498 UORAIXWCEZCQSF-OAQYLSRUSA-N 429.355 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1507817357 ITBNAXUPIKELCC-KCZVDYSFSA-N 443.661 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC(F)(F)Br 1507822255 RWMBHAWXWWBZDM-UHFFFAOYSA-N 443.336 4.864 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS[C@@H](C)C1 1507838340 AESGTJTYMFMPFN-SJORKVTESA-N 432.659 4.666 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507873596 SCZMXIVJMKDYHS-QHCPKHFHSA-N 432.996 4.813 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN(CC)CCC(F)(F)F)CC1 1507879385 ACWJQHSEZCVBFR-UHFFFAOYSA-N 435.538 4.938 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN(C)C2CCCCC2)CC1 1507888967 QSFHWCVNCPMXFS-UHFFFAOYSA-N 437.632 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1507909992 BKENFNSCEAFRMY-QGZVFWFLSA-N 436.535 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1507918716 HUMCNQGVHVBVGR-UHFFFAOYSA-N 437.632 4.549 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nc(C)cs1 1508011035 KKFBZDBLJULFDS-MAUKXSAKSA-N 429.615 4.952 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1508039101 WKRXQYNVEFCKJD-CVEARBPZSA-N 443.901 4.926 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1508039114 WKRXQYNVEFCKJD-JKSUJKDBSA-N 443.901 4.926 30 10 IJEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1509365350 FFGXLBHGHMCZQX-NZQKXSOJSA-N 439.604 4.662 30 10 IJEE COc1ccccc1C[C@H]1CCC[C@@H]1OC(=O)COc1cccc(Br)c1C#N 1523563054 ATMMVTMROHVXII-UZLBHIALSA-N 444.325 4.663 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1528305848 WFWNXLCLBPWWSQ-JTHBVZDNSA-N 440.584 4.731 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c1 1534255201 CMRYIVBFIILGPU-RBUKOAKNSA-N 435.936 4.945 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1539052609 QLHWJPHPXVKLAG-WOJBJXKFSA-N 443.389 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(OCCC)nc1 1539546237 CQTOCHXGSHHIPD-XMMPIXPASA-N 435.959 4.823 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCCC[C@H]2C1 1539684879 KVJHSLZLWXAFLQ-FPOVZHCZSA-N 444.023 4.939 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1539758257 FGTICHGLYFKKEW-FGZHOGPDSA-N 438.616 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1539790157 DIKBRZIDBCGSOD-AWEZNQCLSA-N 448.980 4.540 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCCN2CCC)CC1 1539891790 KXBKSCRAOGTJPO-QFIPXVFZSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1539926994 YSSFBLCFSNTYRC-OAQYLSRUSA-N 449.603 4.546 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1539982208 RLAFMAWOSYEKOQ-UHFFFAOYSA-N 428.993 4.656 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1539991314 GKKSJXZNABCPRD-UHFFFAOYSA-N 425.577 4.713 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539991854 SUSSVWORHLYYQS-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1540041802 DYXLWZYOPBVYEO-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c(OC)c1 1540060014 PVSGBAJPIOOHLO-KRWDZBQOSA-N 441.524 4.994 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1540146579 HTIBCEXKVKGPFG-GBXCKJPGSA-N 437.613 4.866 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1540152582 XSPNDFZUASWHQT-YTFSRNRJSA-N 443.680 4.743 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 1540550019 FRHBYZMIXCQHDN-DQEYMECFSA-N 445.950 4.869 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(F)(F)CC2)cc1 1540877101 KQPMESDOADJXKC-UHFFFAOYSA-N 445.901 4.842 30 10 IJEE CCCc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[nH]c(C)c1C(=O)OC 1541101531 DZYKMNPEBWFBPC-UHFFFAOYSA-N 431.492 4.765 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCS1 1541983458 HHKKQSWOWFATEZ-PNLZDCPESA-N 429.565 4.583 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)n[nH]2)c1C 1543287656 XWBMXLKDZDMVQK-UHFFFAOYSA-N 449.902 4.564 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NC3(c4c(Cl)cccc4Cl)CC3)CC2=O)cc1Cl 1544337631 BKHXQGSLXTYARB-CYBMUJFWSA-N 448.737 4.677 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 1544463089 AORCCFVHSWSQDF-XMMPIXPASA-N 433.531 4.727 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 1546226071 DHGVTMVRJCCSSL-UHFFFAOYSA-N 432.268 4.946 30 10 IJEE C=C[C@H](CC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1556356810 JQDOQSGCVFOOFY-ACJLOTCBSA-N 442.275 4.977 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1NC(C)C 1557530044 GWLBPVVIUQRIGJ-INIZCTEOSA-N 438.366 4.515 30 10 IJEE C#CCN(Cc1cnc(OC)c2ccccc12)[C@@H]1CCOc2ccc(Br)cc21 1559545269 SOGVFVQJCQOYRX-OAQYLSRUSA-N 437.337 4.965 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC(Oc3cncc(Cl)c3)CC2)c1 1559866932 GQXLCZSSJUSSPP-LJQANCHMSA-N 440.975 4.530 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(C)OCCc3sccc32)cc1OC 1560494599 RTOQDRFPOJHKIH-FQEVSTJZSA-N 438.387 4.662 30 10 IJEE C=CCN(Cc1cc(C)cc(Br)c1O)[C@H](Cc1ccccc1)C(=O)OCC 1560757265 JAMFPRVPNKMBHT-HXUWFJFHSA-N 432.358 4.626 30 10 IJEE N#Cc1cccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 1561078927 ABZQUACPZDHDLU-NRFANRHFSA-N 435.936 4.803 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 1561568240 AARGFCAYWSEFTH-FQEVSTJZSA-N 433.558 4.739 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cn(C)nc1-c1ccco1 1563077319 PWNYGROYADXADQ-UHFFFAOYSA-N 433.281 4.802 30 10 IJEE C=CCC[C@@H](NC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1564397181 ZBDJWLKMDQJONN-RUZDIDTESA-N 434.584 4.616 30 10 IJEE Cc1cc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1-c1ccccc1 1564606929 FUZJBECUEWUUPY-UHFFFAOYSA-N 438.575 4.998 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1568283530 KHDAGHIHLLVBKG-JWQCQUIFSA-N 432.564 4.714 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(Nc3nccs3)c2)CC1 1568492251 GYFNKZIFCLPEAO-HXUWFJFHSA-N 437.956 4.563 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 1584863154 CUTIQKJGFBYRLO-QHCPKHFHSA-N 448.588 4.737 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1cccc2ccccc12)[C@@H](Cc1ccccc1)C(=O)OCC 1585020206 HPFLNDJXVYVLJW-YKSBVNFPSA-N 431.532 4.796 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)C1 1587043692 MCABUTFVBHCVRB-LBPRGKRZSA-N 431.792 4.665 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(Cl)c1 1588098962 DZIMVLCMJQOXOR-KRWDZBQOSA-N 434.996 4.906 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC12CCOCC2 1588451895 IZIFPFFANUGDPN-QGZVFWFLSA-N 431.005 4.500 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1589721807 DLRCSRSHTHBNBR-MSOLQXFVSA-N 432.515 4.766 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 1593688484 XYUXSFSQFIPMLP-UHFFFAOYSA-N 432.358 4.821 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCSC2)CC1 1594218974 ZXAFYPIPJINPEU-SFHVURJKSA-N 428.602 4.508 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1594503976 BZFFCVKCTLMKKM-UHFFFAOYSA-N 438.620 4.637 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 1594545576 UPTHBHROOUWDFR-REWPJTCUSA-N 435.616 4.599 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1595037638 IQYXHEWGSAPPHA-UHFFFAOYSA-N 448.880 4.805 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1ccc(OC(C)C)nc1 1595094614 VEOGUPRWTPHBIK-UHFFFAOYSA-N 442.567 4.840 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1ccn(C)n1 1595190388 BLHBFGKICJOGQI-UHFFFAOYSA-N 448.571 4.967 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1595866573 PLFNKSSMAXPLAA-UHFFFAOYSA-N 439.429 4.514 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2ccccc2F)nc1)c1ccc(Br)cc1 1596984782 GPKCKAGYYGICGY-GOSISDBHSA-N 425.257 4.880 30 10 IJEE C#C[C@@H](NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1)C1CCOCC1 1618329876 HTUINFRIXNCCSU-MRXNPFEDSA-N 437.392 4.939 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(N3CCNC3=O)c2)cc1OCC 1620735249 SWXNMYOAVQQJDL-UHFFFAOYSA-N 446.345 4.554 30 10 IJEE CC(C)(CC1CCCCCC1)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1622034754 DSLFXZALHAMJSY-UHFFFAOYSA-N 431.371 4.877 30 10 IJEE C[C@@H](NC(C)(C)CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1 1628042907 ALMAVPYPDWBMAY-HXUWFJFHSA-N 427.548 4.996 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cccc(CN3CCCCCC3)c2)cc1OC 1631608515 ZKDLAECSRVITIW-OWBHPGMISA-N 434.580 4.966 30 10 IJEE C#CCC1(NC(=O)N[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CCCCC1 1633579188 ICLROSSDQXJNJZ-CTNGQTDRSA-N 433.955 4.555 30 10 IJEE C[C@H](C#N)CNC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1634154873 CVVYLYFTEPOHOW-MRXNPFEDSA-N 431.367 4.570 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 1634209734 ZHGKEWYMXOSSKU-SFHVURJKSA-N 436.046 4.717 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2cccc(C(F)(F)F)c2nc1O 1635217663 WHURQDRMEJVEQL-UHFFFAOYSA-N 432.446 4.955 30 10 IJEE C=CCONC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(C)CC1 1636776295 NMTCYIPZFDUYJV-UHFFFAOYSA-N 434.536 4.708 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](C)NC(=O)OC(C)(C)C 1640706451 QBDNOPXWTRBOQV-AWEZNQCLSA-N 438.981 4.702 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)c1C#N 1642201167 DXVTXZOAZXBFQM-UHFFFAOYSA-N 449.557 4.638 30 10 IJEE COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN(C)[C@H](C)CC#N)cc1 1642257760 CJRSNNUMLXUYLG-NIYFSFCBSA-N 440.547 4.760 30 10 IJEE C=CCC[C@@H](NCc1nc2ncc(Br)cn2n1)c1ccc(C(F)(F)F)cc1 1642447589 PJQBWGRUCAWLHH-OAHLLOKOSA-N 440.267 4.703 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(C)ccc2ncccc12 1653968925 BNDFUHMHXSGPGA-UHFFFAOYSA-N 449.345 4.822 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1ccccc1C(F)(F)F 1654808595 CHUWZWNTFQUMPN-WMLDXEAASA-N 446.391 4.878 30 10 IJEE C[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)c1ccc(NC(=O)c2ccncc2)cc1 1655149361 GLUCKYBSHHWYPL-KRWDZBQOSA-N 436.475 4.961 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)o2)nc2sc(-c3ccccc3)cc2c1=O 1656183506 JZTAPXRGAHVIRL-UHFFFAOYSA-N 438.530 4.983 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccn(-c2ccc(C#N)cc2Cl)n1 1657638130 JCSSVUSWISNZFS-UHFFFAOYSA-N 441.716 4.784 30 10 IJEE C#C[C@H](NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccccc1 1658085551 VIXBCBFIIOIVGU-SFHVURJKSA-N 426.339 4.992 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCC(c2ccc(F)cc2)CC1 1661337583 FVLPAQFBAIKCEU-UHFFFAOYSA-N 426.435 4.721 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-n3ccc(O)n3)cc2)cc1OCC 1663007066 VSWDXMGBUPRVTM-UHFFFAOYSA-N 444.329 4.916 30 10 IJEE Cc1ccc(-c2ccccc2NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 1664037471 FPBLEHMIFYPUAZ-NRFANRHFSA-N 430.533 4.518 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCc2cc(C)cc(Br)c2C1)C(C)C 1665701745 OWHPUBAQRBIBQS-NRFANRHFSA-N 434.422 4.524 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2sc(C)cc2Br)cc1 1667791117 VSXJONBTHMIGDG-UHFFFAOYSA-N 448.386 4.955 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 1670659072 ISVXAHGWWHQKLO-LJQANCHMSA-N 431.330 4.994 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)CC1 1671727908 YLNDPWOIUCGMAV-SFHVURJKSA-N 443.806 4.919 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1672455662 IYRYKNLWKCVDIK-HXUWFJFHSA-N 427.570 4.864 30 10 IJEE C=CCCCCCN(C)C(=O)Nc1cc(C(=O)OCC)ccc1I 1673810152 PRZIBMUJKRIMNZ-UHFFFAOYSA-N 444.313 4.678 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C#C)c1ccc(Br)cc1)c1ccc(Br)cc1 1674026069 RBMOWBLLDOOVAB-HDICACEKSA-N 446.142 4.560 30 10 IJEE C=CCCC1(CNC(=O)N(C)[C@H](CO)c2cc(OC)ccc2Br)CCCC1 1674372000 KGZNJWKSDSZJIJ-LJQANCHMSA-N 439.394 4.659 30 10 IJEE COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1675656532 DPJIVFBYQJRTDO-UHFFFAOYSA-N 446.482 4.852 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)cc(OC)c1OC 1676275138 OVAHUASQXJWYKX-HXUWFJFHSA-N 438.568 4.605 30 10 IJEE COc1ccccc1[C@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)c1noc(C)n1 1677860054 CXRFCGQXEVVLGV-KRWDZBQOSA-N 425.514 4.528 30 10 IJEE COc1ncc(NC(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cc1C#N 1680425797 FISFGPZHLNVWOJ-UHFFFAOYSA-N 443.345 4.748 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1 1683339336 SAIYWRBZQDQUTM-SANMLTNESA-N 443.978 4.938 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2ccc(OC)cc2)CC1)c1ccc(Br)cc1 1683681006 JOJGBNFESHZCDJ-OAQYLSRUSA-N 427.342 4.721 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1CC 1690037177 OVQCGKIDVUXPMC-UYAOXDASSA-N 439.401 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(Cl)=C(Cl)C1 1690250941 NIBVUNWCGKHJHU-BEFAXECRSA-N 439.412 4.811 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1690278763 PRGYVUFYLFDBHE-GOSISDBHSA-N 437.544 4.761 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690295926 YKSBATDSMXHHKX-JKSUJKDBSA-N 438.403 4.659 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1690316280 CBXDQWGHGLAWBP-UHFFFAOYSA-N 438.616 4.960 30 10 IJEE C=C(Cl)Cn1c(CC2CC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1690350530 MSECLDLFZNCQOT-INIZCTEOSA-N 427.749 4.893 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2nccs2)CC1 1690399449 XDXCIOVTZYFSAO-MRXNPFEDSA-N 427.549 4.659 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690475321 NDKBGLQRPXXCOF-IBGZPJMESA-N 436.629 4.813 30 10 IJEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1690506145 DTKQYBBUSAYBTA-UHFFFAOYSA-N 433.600 4.743 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1690520521 ZVTQVILVIXGEQA-QZTJIDSGSA-N 446.039 4.986 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1690740548 YZNUNGNOXPJTKU-JOCHJYFZSA-N 435.597 5.000 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1690743461 ACVKQFZEOARVRU-VSKRKVRLSA-N 447.693 4.530 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCSC1 1692836096 DSVCWODIBQRCPJ-IXFSTUDKSA-N 443.592 4.830 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@H]1C 1705510513 QXZAZIDNIOMWGD-ZWKOTPCHSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1705528292 BCMZWDFPSZHBTB-UHFFFAOYSA-N 435.616 4.532 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCCN1CCCC[C@@H]1C 1705542974 SIICDQCMDKDOSQ-GMAHTHKFSA-N 437.632 4.759 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCCC(F)(F)F 1705593518 RUIMDZIYKXHJTL-UHFFFAOYSA-N 448.489 4.546 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(Cc1cccc(F)c1)C1CC1 1705684739 ALFLMZBBVQKPHR-UHFFFAOYSA-N 442.336 4.865 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1Cc2cccc(Br)c2C1 1705701456 GPZKSVUIYQDSBG-DYESRHJHSA-N 445.405 4.741 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(F)cc(F)c1 1705721483 DDFJQTRLQWKQBI-UHFFFAOYSA-N 436.304 4.537 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1705814370 MYVLWNJPOMJLRG-SFHVURJKSA-N 438.557 4.968 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1705822872 TUYVQIIDOGBFRK-UHFFFAOYSA-N 434.588 4.558 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cc1 1705910596 HBOCIJPHBPIOPH-SFTDATJTSA-N 437.632 4.543 30 10 IJEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)CCCCC1 1712198246 ADRWJAACTLAIGX-UHFFFAOYSA-N 432.572 4.544 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1nc(C)cs1 1722275736 BDEVVGUVEODSNP-ZFWWWQNUSA-N 444.402 4.734 30 10 IJEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC(Cl)=C(Cl)C1 1722337631 AGNQEQLOGVBNJD-UHFFFAOYSA-N 435.355 4.569 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCc1ccc(Br)s1 1722343096 GHUPBCBIEHVNFU-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1722593446 RYWDRKHKYHAATM-OAQYLSRUSA-N 444.023 4.708 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1722607656 YBPGEVLWBIHWEJ-IBGZPJMESA-N 432.515 4.766 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722610413 PYZYIKMLYRSRMT-NZQKXSOJSA-N 449.599 4.559 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccoc1 1722623702 KRKNWLRWSSJHOQ-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1Cc1ccc(COCC(F)(F)F)cc1)C1CC1 1722647998 FWOBKXUQQFOUNR-UHFFFAOYSA-N 443.473 4.622 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccsc1Br 1722669353 RRWZYVTXUSZIQW-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccsc2)C1 1722713368 BAIAPGNCELECGU-INIZCTEOSA-N 445.386 4.599 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1722734596 FIQJEZXKJBREBQ-PKOBYXMFSA-N 430.618 4.896 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(=C)CC1 1722736075 VOIARTJWLQYENH-UHFFFAOYSA-N 428.602 4.817 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740573107 ITLRPYSJSRDRDN-OAQYLSRUSA-N 436.991 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](SC)C(C)(C)C 1740633707 QNEUKGZBIAQDPI-DYESRHJHSA-N 440.682 4.982 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(Cl)nc1 1740665317 YBUBIQYUYKQUFR-UHFFFAOYSA-N 444.764 4.572 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCCCC1 1740709143 JYFBKBSLOBFPLE-SFHVURJKSA-N 430.593 4.940 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1ccc(Cl)s1 1740743611 AKLCUZPMWOKFLS-ZDUSSCGKSA-N 445.814 4.822 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1740787906 LYHXPXHENWRFHZ-TZIWHRDSSA-N 425.533 4.605 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCCCC2)CC1 1740842064 LLQHBVJPYLWMKH-UHFFFAOYSA-N 444.023 4.789 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740904400 JLGUFKVIRUDMHC-CJFMBICVSA-N 425.621 4.552 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1Cc2ccccc2O[C@@H](C)C1)C(C)C 1740927814 XNBAONDGBVFZHS-REWPJTCUSA-N 435.616 4.642 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](C)C2)cc1 1740967962 VXHCTUBZDPDIRH-GOSISDBHSA-N 437.613 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1(COC)CCC1 1748643519 WLSQPBGQMOEYOB-ZWKOTPCHSA-N 430.980 4.736 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCN1CCC[C@H](C)C1 1748775836 XVOJRZMXPYRZRU-PMACEKPBSA-N 439.673 4.713 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCC(F)(F)C1 1748842212 HHARDXWRNMSZDT-IBGZPJMESA-N 449.505 4.889 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1749033952 SANBMFHCXHLWHL-OAQYLSRUSA-N 440.613 4.661 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCC)C1 1749203987 QPQRMPGJLUGFIG-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1749235049 NDHWUEPRVVEGBZ-IBGZPJMESA-N 429.634 4.787 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1749296809 VBWGOLLJSYKWGM-VWLOTQADSA-N 442.604 4.696 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@](C)(O)C(C)C)C1CC1 1749527781 RHUKTGCJZFXVBE-NRFANRHFSA-N 439.387 4.726 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccccc1F 1749564500 ANQNNHOFGMBRKY-MRXNPFEDSA-N 427.911 4.779 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1749566201 YCOYCWJARPOIJR-IBGZPJMESA-N 425.577 4.687 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1749754278 JFJANRPXGCDHFY-PMACEKPBSA-N 449.020 4.670 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1749764023 PXCGVUINGQVWJC-SFHVURJKSA-N 432.659 4.802 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCCN1CCCC 1760106155 AEFLYLSLJHYUID-IFMALSPDSA-N 430.600 4.606 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(-c2ccsc2)nc1 1760177769 NXKFHLXBGGISQD-UHFFFAOYSA-N 443.576 4.715 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C2CC2)CC1 1760337921 MVVOZPXDWXTYGO-LJQANCHMSA-N 443.636 4.985 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1760351483 HSTQZJIBNDYJCW-IAGOWNOFSA-N 438.494 4.631 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSC(C)C)CC1 1760387602 QLBQFJCSZNLHHQ-LJQANCHMSA-N 449.665 4.691 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCCOc2ccc(F)cc2)CC1 1760403267 LSFGLQIGLDWKON-UHFFFAOYSA-N 435.547 4.665 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2Cc2oc(CCC)nc2C)CC1 1760405403 SKCGAVLPMDJKLF-UHFFFAOYSA-N 435.572 4.865 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1760427415 ZSSLLNZOAKQMCE-QHCPKHFHSA-N 444.627 4.721 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H]1C(C)C 1760479038 BZRLEHDSPLUNCT-UPVQGACJSA-N 445.567 4.972 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccs1)N1CCCC1 1760493694 LEDHGWHVGVWXDI-PMACEKPBSA-N 427.618 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CC1CCC(C(F)(F)F)CC1 1760497135 SRWMMYZCNANFCW-UHFFFAOYSA-N 436.526 4.687 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1Cc1sccc1Br 1761076663 FHCOYEVDXZGHMO-UHFFFAOYSA-N 447.406 4.912 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccnc(OCc3ccccc3)c2)o1 1761732271 CUPFHWPMFHEADM-SFHVURJKSA-N 442.523 4.607 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)c(C)n1 1764136249 BXNDDPCUVVOSTK-LJQANCHMSA-N 443.555 4.961 30 10 IJEE COC1CCC(CCn2c(Cc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CC1 1770567757 HVOJICHLQBMYOO-BPOAOHNVSA-N 439.579 4.733 30 10 IJEE CCC1(CC)OCC(=O)[C@@]2(O1)[C@@H](C)C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@@H]4C[C@@]12C 1848437884 TYRWAPCJVMVRJI-YNBZBNFFSA-N 440.580 4.543 30 10 IJEE N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 1859125896 GRYDPFJRXUKAMM-UHFFFAOYSA-N 434.293 4.754 30 10 IJEE Cc1cccc(N2CCN(C(=O)C(=O)/C=C/c3cccc(OCc4ccccc4)c3)CC2)c1 1860636995 BOVWCKJIMLJAAH-BUHFOSPRSA-N 440.543 4.505 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(O)c(OCC)c1 1862397401 LJYATWHFLMMCEW-QHCPKHFHSA-N 435.520 4.898 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)cc1 1862431923 RPQYQBUGNUZDNP-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862511830 QWBOPXABWCBECG-SPLOXXLWSA-N 427.472 4.615 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1F 1862526364 DZAOGJBPBRGMRB-KRWDZBQOSA-N 436.252 4.714 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2F)cc1 1862534393 RHQUWXSRHWRFFR-QFIPXVFZSA-N 434.442 4.701 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862556650 BNRJBAVUNULMLM-HSZRJFAPSA-N 434.536 4.969 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1OC 1862573220 XGGPASCNUBQDAV-HSZRJFAPSA-N 446.503 4.706 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2)cc1OC 1862576466 VHLIQBBJEQUXRU-XKDCRVNJSA-N 435.520 4.861 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862582811 MWJGMTAUJJKTTI-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862594850 HXDPOCLGAHJEQO-HSZRJFAPSA-N 428.488 4.689 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862598813 ZSAGGCSUGGSRBT-JFJYTDJESA-N 435.520 4.948 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCc2ccccc2)c1 1862625407 FNRDHOXXPGSDSX-XMMPIXPASA-N 441.483 4.545 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1862799183 QVFNBCIVEADRKY-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE CCCOc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)c1 1862917636 YHPGTMXHCZCQDH-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccc(F)cc1 1864785384 NARDCYBGXKMNGF-FQEVSTJZSA-N 442.579 4.683 30 10 IJEE C=CCN1C(=O)c2cccc(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C1=O 1865794771 YPKZELIZXOOULS-UHFFFAOYSA-N 443.299 4.725 30 10 IJEE CCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 1867047236 IODRSPSZDBEHPQ-NRFANRHFSA-N 432.549 4.538 30 10 IJEE COc1cccc([C@H](C)CC(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)c1 1867113589 QNZWDVAAHJATQK-CJAUYULYSA-N 427.504 4.557 30 10 IJEE CCCC[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867734063 SABLKTNLRRFGSC-DNQXCXABSA-N 435.568 4.700 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1 1868883750 XKLDCDGTHSPPRJ-FQEVSTJZSA-N 434.580 4.735 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 1870104705 FDBKGCPIIRTREL-UHFFFAOYSA-N 437.931 4.771 30 10 IJEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870456987 UABJVIKHXJHLQZ-KDURUIRLSA-N 430.976 4.623 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871422654 WNCDESZVWPEFNU-MTJSOVHGSA-N 433.485 4.893 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 1871427235 UFHLENFUSGMLJV-BKUYFWCQSA-N 440.492 4.741 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 1872055956 HFTOJQPVZIDXNB-NRFANRHFSA-N 436.524 4.503 30 10 IJEE CC(C)(C)N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872768962 GJAJZYHICGYJLO-CHWSQXEVSA-N 436.364 4.940 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(NCCCCN(CC)CC)ncnc21 1873630115 KJTLZOLFQOCDGS-UHFFFAOYSA-N 434.588 4.712 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(OC)cc(OC)c1)n2CCCC 1873656735 JRKNNZKKDFEFBX-UHFFFAOYSA-N 449.555 4.679 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])c(=O)oc2c1C 1873929361 FTWUZBOCYJLZAS-UHFFFAOYSA-N 436.464 4.763 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)cc1 1874305860 SOENRYHVIFMMLE-MFKUBSTISA-N 436.512 4.979 30 10 IJEE COc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)c1OC 1874462474 WDNLSSCRFHSQIQ-ZMOGYAJESA-N 436.459 4.531 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccc(C)c2)o1 1874466245 DWGARHXLQLVQPR-YDZHTSKRSA-N 436.493 4.791 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(Cl)cc1 1874483091 DFJMDKUQCWJQPH-WYMPLXKRSA-N 445.951 4.981 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)C)c1 1874513416 WTLQTVTULDFFLG-WYMPLXKRSA-N 437.569 4.645 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c([N+](=O)[O-])c1 1874611514 MMMYJYFXKARUKR-ZRDIBKRKSA-N 446.459 4.825 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 1875112563 DVBVZVJFDLVDBN-KPKJPENVSA-N 448.431 4.512 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2ccc(OCc4ccccc4)cc2)C3)OC1(C)C 1879734172 YWSZPIRLCPDNAP-QFQXNSOFSA-N 433.357 4.964 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C)cnc3C(F)(F)F)cc21 1889490123 BEVFBECGWFRIJM-UHFFFAOYSA-N 433.430 4.599 30 10 IJEE C=C(CNC(=O)C(C)(C)c1ccc(NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 1892600947 SMHUIPBFEGKXDD-UHFFFAOYSA-N 444.381 4.615 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C 1922070333 YILMANBILIEZLN-FCEUIQTBSA-N 434.621 4.834 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CSCCN1C(=O)OC(C)(C)C)NCCC 1922085718 KSKBYBNLOJEMNC-YADHBBJMSA-N 434.646 4.870 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1944734015 PUIVLRCMAQAFQJ-LPHOPBHVSA-N 431.533 4.586 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1962793598 AJJPEFJWMAFJNO-NVXWUHKLSA-N 429.399 4.583 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 1991580958 IEJJJOISYFDKNI-RBUKOAKNSA-N 425.614 4.521 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NC 2028847277 BTICLGQUABXNLS-DLBZAZTESA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC2 2040473731 WDIYJRJEPZMQAH-XDGVHFHYSA-N 448.568 4.901 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1Br 2124499589 NKPOMGGBLUNZLG-LBPRGKRZSA-N 437.256 4.876 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)cc1)c1ccc(Br)cc1F 2146604417 HADVHZPUMPHZML-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE C[C@@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181142521 XFSNTYZSRSQMDW-ZUOKHONESA-N 436.350 4.733 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2235728408 MHIMVGQLXKFURQ-UXHICEINSA-N 431.374 4.558 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 2235729786 NOSLOOWCLRCHQI-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE CC1(C)OB([C@H]2C[C@@H]2C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241485690 BTLMLOZOJNPOFN-ZEQRLZLVSA-N 448.416 4.677 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCc2ccccc2)Cc2ccccc2)C1 2255193081 KPUCODRWFSNZMC-UHFFFAOYSA-N 432.564 4.565 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1F 2266062688 VQNGVEJRHNHZCG-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CN(Cc1cccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1)C(=O)OC(C)(C)C 2267099271 JKDNBFGFCZYNKQ-UHFFFAOYSA-N 444.381 4.864 30 10 IJEE N[C@@H](C#Cc1ccccc1Cl)c1cc(I)ccc1Br 2277835527 OETVTVMVKDZTHJ-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE N[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 2278816047 NQLNWZGUZZFLHT-XZOQPEGZSA-N 449.348 4.796 30 10 IJEE Cc1ccnc(C(=O)Nc2ccccc2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282614905 VQOSBGVXKPZRMS-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CC1(C)OB(c2cnc(OCc3cc(Cl)ccc3Br)c(F)c2)OC1(C)C 2284369208 NTTWFHCDTOUEJF-UHFFFAOYSA-N 442.521 4.515 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(C[C@H](N)C#Cc1cccc(Br)c1)C(F)(F)F 2296221134 GAHGALICJBDNSW-CRAIPNDOSA-N 449.311 4.611 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 2296221603 KCOUTPDNKHYKBC-HUYLIWGRSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@H](N)C#Cc1ccc(Br)cc1 2296296505 OTLFTLVDZFZILN-HXUWFJFHSA-N 435.406 4.945 30 10 IJEE CCOC(=O)C(C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)=C(S)Nc1ccccc1 2297452700 QQBJDQSQFFVKKM-UHFFFAOYSA-N 441.292 4.901 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2cc(OC)ccc2OC)C1=O 2297485451 VZWJFWLKZUTRGD-UHFFFAOYSA-N 445.924 4.901 30 10 IJEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2321962087 JLJOIYALCMOIIW-MRXNPFEDSA-N 446.507 4.959 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc(Cl)c1O 2322183816 WCYLFCSRYOFXPX-UHFFFAOYSA-N 432.977 4.576 30 10 IJEE O=C(C=Cc1cc(Br)ccc1OCCCO)c1ccc(Br)cc1 2322416598 CHTLZEQDRGEAKX-UHFFFAOYSA-N 440.131 4.869 30 10 IJEE CCCCCOc1ccccc1C=NNc1cnn(-c2ccc(OC)cc2)c(=O)c1Cl 2322591636 WAZSVRBQMOWFLJ-UHFFFAOYSA-N 440.931 4.910 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)c4cccc(C)c4)ccc3C2=O)cc(OC)c1OC 2322877867 GBNMOCSVWQZXPM-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2C)ccc1OCC(=O)NCc1ccccc1 2323865872 MSRJJDOZJSAMOM-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC 2324380777 PXGUOHKJDVFMLV-UHFFFAOYSA-N 425.525 4.512 30 10 IJEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325204818 MLXZQTBRCZBTHR-UHFFFAOYSA-N 428.419 4.978 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325628011 VINVIGOKOARXAP-HNNXBMFYSA-N 430.416 4.617 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2N=Cc2cccc(Cl)c2)CC1 2328147356 NDFMWEAAIBNNLR-UHFFFAOYSA-N 434.009 4.855 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccc(C)cc3C)nnc2SC)cc1OCC 2328872995 YZQKWVPEQVCPNZ-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)c1 2330785937 XDVGNWXLGRRJFW-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2330786244 TYRGMZQXDADFCQ-FQEVSTJZSA-N 430.884 4.728 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(F)cc1 2331187120 UXIGXUPZSUDGHN-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339605200 ANPJUOCJJFNMEF-DKUDOZJNSA-N 445.413 4.856 30 10 IJEE CO[C@@H]1CCC[C@@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349877789 IZXWPIDCOMGMLF-IUODEOHRSA-N 434.115 4.695 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NC)c2cc(Br)cc(OC3CC3)c2)C1 2362763389 PNVVVMCWBGRONT-GOSISDBHSA-N 437.378 4.864 30 10 IJEE N#Cc1ccc2ccn(Cc3ccc(I)c(Br)c3)c2c1 2377284744 BMIWZYSLSOTJPT-UHFFFAOYSA-N 437.078 4.928 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1 34954242 LMEKOEMNZKHTEK-YHYXMXQVSA-N 432.428 4.548 30 10 IJEE COc1cc(/C=C\C(=O)c2ccc(OC(=O)c3ccccc3F)cc2)cc(OC)c1OC 34954720 BLUGRGVOAUQBHU-JYRVWZFOSA-N 436.435 4.967 30 10 IJEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3OC)C4)C2=O)cc1 41587503 RNIJNJXLHFNDMG-MSXFZWOLSA-N 443.499 4.981 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(\C)c2cccs2)n1 59038906 SQZXIZWGMAZYCY-CIAFOILYSA-N 432.600 4.545 30 10 IJEE CN/C(=N\c1cccc(C(F)(F)F)c1)S[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 59446499 HVPUCJSSDAQUSO-QGZVFWFLSA-N 435.471 4.594 30 10 IJEE COc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)NCCc1c[nH]c2ccccc12 66437655 NFQYCPAUBHOYDC-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2cccc(F)c2)/C1=C(/O)c1ccco1 102904035 HLDJICZWSGGTPA-LYHOESIGSA-N 438.411 4.794 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 103094890 UQLQICAJUHQNDN-UGUGFTGJSA-N 442.471 4.568 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OC(=O)c3ccccc3)cc2)NC(=S)N1 169937812 CKZUUTKAXVAORI-QFIPXVFZSA-N 428.513 4.582 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccs2)c1 169983275 YFHROQLXVKBVMF-NRFANRHFSA-N 449.484 4.658 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccc(O)c2)c1 170079134 SKOSBPAQRLTMOZ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCCC2)c1 170119411 GIJVICRCFWBXLU-VOIUYBSRSA-N 447.531 4.930 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2ccc(C)cc2C)C1=O 170144609 XWEHMBZTYMZWQB-UHFFFAOYSA-N 429.564 4.918 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(OCC)c1 170148895 IKBNRHWMSZSJPR-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(O)c(Cl)c1 170220164 GBYYWCXEKBWGAX-HXUWFJFHSA-N 429.900 4.821 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1C 170241266 IWMWWNCZIKKDCU-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccco1 170292821 WZLIUMUAIFXQKM-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1sccc1C 170317743 YGGXRHFAWOPWMY-HXUWFJFHSA-N 443.565 4.706 30 10 IJEE COC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2C)cc1 170398138 IDKNKUJEBHZWLS-JOCHJYFZSA-N 447.512 4.555 30 10 IJEE Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)NCC1(CC#N)CC1 430848444 CIAXXFWFAITWIF-CYBMUJFWSA-N 433.375 4.935 30 10 IJEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H]1c1cccc(F)c1 460961184 SBPJXKWJWOGZGA-KKSFZXQISA-N 439.560 4.572 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C(C)(C)C)cc1 467890119 OHGYLPSAHMLISO-QHCPKHFHSA-N 436.552 4.810 30 10 IJEE N#CCCSc1ccccc1NC(=O)c1c(F)cccc1I 471794769 VQDZOEOOEPVFTJ-UHFFFAOYSA-N 426.254 4.688 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(-c4ccccc4OC)cc3)cc2C1=O 525591802 YOSMZSZKYHDONW-QGZVFWFLSA-N 440.499 4.635 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)c(O)c2)c1 526607636 ZTHVSUSNNRORIT-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(C(=O)O)cc1 526817791 BMYHJYQIEGASIX-KSEXSDGBSA-N 432.908 4.896 30 10 IJEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 571007177 AJUZKSSGPQQVBP-GOSISDBHSA-N 438.528 4.654 30 10 IJEE COc1ccc(OC)c(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)c1 586227136 SUUDKMFVBODXGW-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 586712712 VZKZKRBPPOATFC-UHFFFAOYSA-N 427.888 4.585 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 698373665 JMQSLAWYZSMONR-CYFREDJKSA-N 429.561 4.963 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(F)ccc1Br 700617177 VSNCRESFTLFUES-KRWDZBQOSA-N 428.346 4.732 30 10 IJEE CCOC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(C)c1 708811347 MIWODNBZFYISNY-HSZRJFAPSA-N 433.549 4.560 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(CCOc1cccc(Br)c1)C2 712703966 FFWXAJSWEHFQLI-IRXDYDNUSA-N 438.362 4.965 30 10 IJEE C=C(C)COCCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 765908159 JYHJWCVSYSDIES-UHFFFAOYSA-N 437.796 4.502 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N/[C@H](C)c1cccs1 790284688 FPYTWWSPEXGDIZ-GIHKFZEZSA-N 443.594 4.810 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)c(C)c1 809890239 XXWKMGRBOIEOSL-QHCPKHFHSA-N 445.567 4.849 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1ccc(F)cc1 812931423 MRLKYXKFRILARS-QFIPXVFZSA-N 438.480 4.518 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cc1 920782645 BSUCYFYJNDDZFL-FQEVSTJZSA-N 442.357 4.604 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CCCN1C(=O)OC(C)(C)C 1125440753 TYRUXRPBLGGCIJ-CYFREDJKSA-N 448.510 4.575 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC(c2ccc(C)cc2)=NO1 1125735365 DDXBYKCUBNXBRN-HXUWFJFHSA-N 431.305 4.604 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)c1ccc(Br)cc1 1129609610 XZCOIPDVUMKEPX-IBGZPJMESA-N 428.326 4.883 30 10 IJEE N#Cc1cccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c1Br 1129873134 HTRSJMBEMHONQA-UHFFFAOYSA-N 430.302 4.688 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 1135951176 SAFCEYVSDFQTJQ-NRFANRHFSA-N 426.488 4.650 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCn2ccc3cc(Cl)ccc32)CC1 1139787892 FFDINLCQQAXWIX-QFIPXVFZSA-N 441.362 4.747 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)C1 1143651951 GTUSZXDWFVSKEZ-INIZCTEOSA-N 425.554 4.566 30 10 IJEE C=CCC[C@H](NC(=O)C[C@H](NC(N)=O)c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1151867059 JDZMIVJAGDFALQ-PMACEKPBSA-N 433.474 4.937 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc3ncn(C(C)C)c3c2)CCCN1C(=O)OC(C)(C)C 1153889355 MTFFSCILORZQGM-XMMPIXPASA-N 426.561 4.579 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1C 1165776266 IGNQDSUCKHMPJA-SFHVURJKSA-N 449.580 4.885 30 10 IJEE C=CCOc1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)cc1OC 1178761525 ZRZTVKJWCINXBQ-UHFFFAOYSA-N 449.457 4.783 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1184246168 BNQHGSBLACAVJY-UHFFFAOYSA-N 448.972 4.626 30 10 IJEE C=CCn1c(SCc2nnc(-c3ccccc3O)o2)nnc1-c1cccc(Cl)c1 1189025277 PUPWSJKCOXMQDP-UHFFFAOYSA-N 425.901 4.832 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1192459207 GBSVARVKLWQYAG-SMDDNHRTSA-N 442.297 4.761 30 10 IJEE C=CCN1CC[C@@H](N(C)Cc2cc(F)ccc2Oc2ccc(Br)cc2)C1=O 1197920223 AHPJIIXCCIPGDB-LJQANCHMSA-N 433.321 4.599 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1219189931 SLVYPIIWXNDRQL-UHFFFAOYSA-N 429.528 4.784 30 10 IJEE C=CCc1cc(CNC(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc(OC)c1OC 1221553896 WGYAWURXPMKYNC-GOTSBHOMSA-N 438.568 4.820 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cc(OC)c(OC)cc1Br)c1ccccc1 1226477902 ORKBJBVAGRCCFA-GOSISDBHSA-N 433.346 4.973 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21)c1ccc(Cl)cc1F 1252478874 GQDRFNOJDBWMCH-UDTPNQRGSA-N 433.708 4.553 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)COc2c(C)cc(C)cc2C)c(C(=O)OCC)c1C 1264356543 JSQFVQRDIAOHET-UHFFFAOYSA-N 445.537 4.519 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)c1 1264784581 CWSWQRONZBOUEV-JOCHJYFZSA-N 435.524 4.807 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2)C1 1286316710 XXPPALJRVZDMHP-SFHVURJKSA-N 438.373 4.833 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2OCC)CC1 1286333468 ICKNKGJHGAJNBQ-UHFFFAOYSA-N 435.616 4.540 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 1286335771 SRMKVURYPYPSPM-UXHICEINSA-N 429.609 4.636 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(OCC)CCCC1 1286362993 MEHDHEROWXVAEN-UHFFFAOYSA-N 431.584 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(F)cc(F)c2C1 1286556189 BJEOIJBVIOIOSX-JTSKRJEESA-N 430.543 4.689 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)OCC)CC1 1286637793 MZUZKOFRBKTBSJ-IBGZPJMESA-N 428.577 4.788 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2C(F)(F)F)CC1 1286662299 FCNKOFPGCZGMSV-UHFFFAOYSA-N 427.474 4.733 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286694665 XAMNHQIPVOECTG-MSOLQXFVSA-N 446.437 4.901 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCCN1CCCC[C@H]1C 1286718245 CLWFWTXDVBOIJA-GOSISDBHSA-N 446.437 4.984 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(-c2ccsc2)nc1 1286730795 OIMFDQOWHBAVLE-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2)CCOCC1 1286755617 GLWKUQNVDOPVBL-UHFFFAOYSA-N 449.986 4.920 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286769992 JBCMNKZSXDPUMP-OAHLLOKOSA-N 444.004 4.692 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 1292767468 VLWAVBAHWKXNSD-UHFFFAOYSA-N 426.472 4.690 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1 1300609787 UYHALYHGNKDRCU-QGZVFWFLSA-N 432.515 4.636 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1CCc1ccc(Br)s1 1300617209 VQPIXYIQHFXDOP-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1CC(OCC)C1 1300788305 WTZYLOKNHSTYBL-LPLYSNAYSA-N 440.563 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1cc(C)nc(N2CCCC2)c1 1300917923 PPJINHXVMFCHRS-UHFFFAOYSA-N 448.590 4.762 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301023029 ALVOXXDAKFSAPV-MLGOLLRUSA-N 426.826 4.600 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1301025359 WVBGKNVRXHNMMH-GOSISDBHSA-N 433.984 4.512 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301054969 CNTCNGGXABMNKL-HZPDHXFCSA-N 439.412 4.839 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)cc1Cl 1301060468 GKINCNHDAMEXBW-UHFFFAOYSA-N 428.121 4.591 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1301088978 MQAOSCLZNXZDDZ-QFIPXVFZSA-N 437.632 4.567 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1301120514 ULHLQSIZCLFBML-ZJSXRUAMSA-N 437.632 4.833 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N(C)Cc1ccc(Br)o1 1301225517 GHSKJKSXBWNSSQ-UHFFFAOYSA-N 445.361 4.836 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@H]21)C(C)C 1301367474 OPUUWGLGJQNNKX-QLBJFCOMSA-N 444.627 4.894 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[C@@H]21 1301601166 MZFQJNIOJXEGFS-OLZOCXBDSA-N 425.421 4.677 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H]1CSC 1301606023 HOGBPCTYPUFBGA-KRWDZBQOSA-N 427.643 4.688 30 10 IJEE CC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1302188375 AAHFAWVGUQLSBT-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2cccc(F)c2)CC1 1303642249 HZEQTGPAZUZHCS-IOMROCGXSA-N 439.579 4.806 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1cc(OC)ncc1Br 1307448564 AYIPYYCAMKDBOV-UHFFFAOYSA-N 444.142 4.943 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CNC2(c3ccc(Br)cc3)CCC2)cc1C 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C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 1559648354 DVJOSBVMZBIXOX-DEOSSOPVSA-N 444.623 4.842 30 10 IJEE CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1ccc(C#N)cc1OC(F)F 1560052422 FSGZCZFIOVBGJM-KRWDZBQOSA-N 443.277 4.730 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 1561662188 BYVVKRVAHHYDFG-RHSMWYFYSA-N 439.762 4.589 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1562351566 BUJXJXVSFLKHEG-KRWDZBQOSA-N 436.512 4.824 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 1568673395 KVWWFLMVBVNOTL-KBPBESRZSA-N 449.762 4.969 30 10 IJEE C=C(CNC(=O)c1ccc2c(=O)n(-c3cccc(C)c3C)c(S)nc2c1)c1ccccc1 1570075854 YOLDBKHMLQJUSV-UHFFFAOYSA-N 441.556 4.734 30 10 IJEE C#C[C@@H](NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1ccc(Cl)cc1 1583550374 YKROFFLCDOPZSV-LNKKFFRNSA-N 445.935 4.544 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(I)ccc1Br 1583869299 NRZWVYZBYNDXGT-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC[C@@H](C)C1 1588314526 HVZIDVZAWOVVCI-OAQYLSRUSA-N 446.599 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(C)CCOCC1 1589151098 RDVSOLKFHUWNFI-HOYKHHGWSA-N 442.991 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H](C)c1ccccc1 1589528245 DZMROQKFZBVSLI-KWOQKUFVSA-N 431.584 4.870 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1593757648 LAXAENCCOQEMPD-GHTZIAJQSA-N 437.613 4.609 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1594545235 RYLRBQJNLQHOCL-RPWUZVMVSA-N 431.584 4.951 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](OC)C1 1594651463 LQUFUHPKINRNFJ-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1594698338 NQFNLPBZZYFQMN-RTBURBONSA-N 443.592 4.942 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)c1ccsc1)C1CC1 1595037366 BIHFXBXFNZTMQI-NRFANRHFSA-N 432.952 4.862 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1ccc(Cl)nc1 1595134191 UVUYIBWNJIPVBN-HXUWFJFHSA-N 441.938 4.948 30 10 IJEE CC1(C)[C@@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)NOCc1c(F)c(F)c(F)c(F)c1F 1615199756 QOVVJDVKLAGGES-XELWXICISA-N 437.714 4.887 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(c3ccc(F)cc3)CC2)n(Cc2ccccc2)c1C 1620506466 DKKSHRDGNICUPH-UHFFFAOYSA-N 444.554 4.982 30 10 IJEE C=C(Br)CN1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1620606954 FPMJZJCHOHLBSA-IRXDYDNUSA-N 437.378 4.525 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cccc(OC)c1Br 1620910425 RHZKDWPHKQWVLM-UHFFFAOYSA-N 425.120 4.844 30 10 IJEE CN(CC(C)(C)C#N)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 1622172256 ICJQQKRLTMWJHC-UHFFFAOYSA-N 441.322 4.551 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(CN3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1624534616 ODLNLEHEQKMNNO-SANMLTNESA-N 441.616 4.635 30 10 IJEE C#CCN(C(=O)c1cc(C=O)sc1Cl)[C@H]1CCOc2ccc(Br)cc21 1628057827 LEQUIKCIJHMETO-HNNXBMFYSA-N 438.730 4.576 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(C(=O)c2cccc3ccccc23)cn1C 1630314392 NUNDLYSZECSRGC-UHFFFAOYSA-N 426.447 4.813 30 10 IJEE C=CCCONC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1630753767 PGNVBHOTWNZDRN-RUZDIDTESA-N 442.515 4.890 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CCCC1 1635345509 DNRNDKWIPGKLBB-UHFFFAOYSA-N 448.972 4.713 30 10 IJEE C#C[C@H](NC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Cl)cc1F 1636567000 KPEYCQVYLVSMMN-IBGZPJMESA-N 428.891 4.693 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 1636631307 LFVOFDPRLWIQFW-IFMALSPDSA-N 440.584 4.771 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccccc1 1638481891 HDYUPAULINVLCQ-ZFJSRUIDSA-N 442.600 4.657 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)CCCCC1 1640769810 WELDHIIMUPJZMM-UHFFFAOYSA-N 444.622 4.504 30 10 IJEE C=CCn1c(Sc2nc(C)cc(OC)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1642012448 HDHYWOKIPWHQQY-UHFFFAOYSA-N 436.562 4.878 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 1649399210 CAVXGXARLCHESC-KSZLIROESA-N 444.601 4.802 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651539925 HCRJUJYFFPWIHN-GVDBMIGSSA-N 431.671 4.839 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21 1653456657 ILVBZTCAHUBDDL-WOJBJXKFSA-N 430.548 4.566 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3C[C@@H](C(=O)OC(C)(C)C)CC[C@H]3C)c2C#N)C1 1654778705 GSSQVWATANTUMW-ZACQAIPSSA-N 445.629 4.515 30 10 IJEE C#Cc1cccc(NC(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)c1 1657678268 RTVPJFOGLOCFKK-UHFFFAOYSA-N 427.504 4.787 30 10 IJEE C=CCOc1c(Cl)cc(CN(Cc2nc(O)c3ccccc3n2)C(C)C)cc1OC 1659132220 BANPFKQNNLAUPL-UHFFFAOYSA-N 427.932 4.973 30 10 IJEE C#CCOc1ccccc1NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC 1668939116 RBLIKURCJBFSOR-OAQYLSRUSA-N 437.540 4.649 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@H](CNC(=O)Nc4ccc(C)cc4)C3)cc21 1673312183 RDPXPFMYHFJACM-LJQANCHMSA-N 446.555 4.596 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@H](CC)Cc1cccc(Br)c1 1675014211 INSHXFGWEYTXFA-OAHLLOKOSA-N 433.321 4.991 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 1676881332 TXXIGOJNMNVLQM-GOSISDBHSA-N 425.960 4.766 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1)c1ccc(F)c(F)c1 1686173198 DJAJMHIZBSPFHF-GHTZIAJQSA-N 435.515 4.815 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)c1ccc(F)c(F)c1 1686173815 PMTBTDFZKAFFKY-DHIUTWEWSA-N 431.527 4.971 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1689919327 JYZIALZQZPWQMS-RTBURBONSA-N 442.991 4.664 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCCS1 1690064895 CIGJZKPSGQCWCD-HXUWFJFHSA-N 433.419 4.761 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCn2cc(C)nc21 1690065170 NNYFZPFCTHNTJJ-OAQYLSRUSA-N 430.600 4.785 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1690157836 QNIIBZRSHULHME-UHFFFAOYSA-N 441.551 4.650 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)CC 1690253710 SJKYXLKHXJOJTM-VNZMSGEBSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)Cc1ccc(Cl)s1 1690255098 OAYWUAPWIWTXAA-WDYCEAGBSA-N 437.009 4.852 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1690304655 KEVPIZKLWYCLAT-NHCUHLMSSA-N 425.602 4.520 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC[C@H]2OC)CC1 1690417589 YGRHBEDDXFPGRC-WOJBJXKFSA-N 442.629 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1690436456 SDLLVDLEJHNOIE-SANMLTNESA-N 431.584 4.618 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2CCCO2)CC1 1690453858 LKTZGUPPLKOZMP-LJQANCHMSA-N 448.409 4.787 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cc(C)on1 1690476854 RJXSZOGDYUUKII-UHFFFAOYSA-N 434.313 4.746 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1C)C(C)C 1690583195 CFPWTLIIZNGWIQ-WBADGQHESA-N 443.680 4.884 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(c2cccc(OC)c2)CC1 1690748731 GFLAAOXEWXMMPN-UHFFFAOYSA-N 449.624 4.576 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1692927665 HAPHYTJGUQMGFS-UHFFFAOYSA-N 426.524 4.727 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCc1cc(C(F)(F)F)ccn1 1705614457 KGVOCPNBEJGJPS-UHFFFAOYSA-N 447.892 4.638 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(C)=C(Br)C1 1705699264 DXJOQOYVFLXPTP-MJGOQNOKSA-N 435.410 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705703628 VJEUFPVDERSVEG-RRPUWOKSSA-N 442.579 4.565 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1705738472 YUDGAMZQJURCBP-QFIPXVFZSA-N 438.597 4.571 30 10 IJEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@@H]2CC2(F)F)CC1)c1ccccc1 1705741020 DILJXPBAMHQACA-RXVVDRJESA-N 446.542 4.587 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705762979 MPJGLPKLGMSLSK-QYXIYQDXSA-N 426.605 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](CC(C)C)N(C)C)CC1 1705765826 BZALTGJEHLBLJL-SFHVURJKSA-N 446.437 4.840 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1705768122 MFIXURPDQOICDI-MOPGFXCFSA-N 438.469 4.950 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@@H](C)C1)c1ccccc1 1705796453 FLAWPYQYHOJLKE-RXVVDRJESA-N 437.975 4.969 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705811092 QTQMNLICDWXAGP-LEWJYISDSA-N 439.604 4.753 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@H]1C 1705827369 CEBZEUSRQWBUIO-JKSUJKDBSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1 1705864545 FOBRPETUKREFJD-IEBWSBKVSA-N 434.506 4.939 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1705867213 JUYGOPULYLMQOH-CEWLAPEOSA-N 430.618 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1705871269 DFVZIIGCGDQPKZ-OALUTQOASA-N 443.039 4.928 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705875084 HCZLNRFTKZHVSG-KRWDZBQOSA-N 437.588 4.816 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1C 1705876992 QMXUCKXCRCCHIF-NRFANRHFSA-N 437.588 4.885 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2scnc2C)o1 1709539859 DKONVPPSUBICBX-UHFFFAOYSA-N 447.568 4.515 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722337756 AJYPTGRXUDPJKU-UHFFFAOYSA-N 444.423 4.798 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1722356659 ZPMGBRMXKIJQRQ-HYBUGGRVSA-N 438.616 4.675 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1722488684 BOUAGMNYLMTJCR-HZPDHXFCSA-N 437.769 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCN1CCC 1722513640 DCOXDGLIGATCBY-IBGZPJMESA-N 431.575 4.814 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC[C@@H]1C)c1ccccc1 1722540625 FXTYVMYRQOXWEZ-CEWLAPEOSA-N 426.630 4.852 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722547115 AVTJKOCJJJTPFK-HXUWFJFHSA-N 444.023 4.655 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CSCCS1 1722595922 YFHDKPQBCFYAJC-GOSISDBHSA-N 446.642 4.705 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1722614307 JCGCDGGTVRFXOD-UXHICEINSA-N 448.615 4.914 30 10 IJEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2C1)C(C)C 1723535605 DDVATHVZKXRIQB-UHFFFAOYSA-N 434.613 4.560 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC(F)(F)C1 1727415195 GMNKAXONPJCFGD-IBGZPJMESA-N 443.542 4.985 30 10 IJEE COc1cc2c(cc1Cn1c(N(CCC#N)CCC(C)C)nnc1C(C)(C)C)O[C@@H](C)C2 1730026496 FZRJCVJZKAZPFS-SFHVURJKSA-N 439.604 4.722 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)c1ccc(F)cc1 1740768800 OFGQGLCXOFIUCU-CYFREDJKSA-N 430.568 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC[C@@H](C)N1CCCCC1 1740774972 IRQJJADRDOBYQK-LJQANCHMSA-N 431.575 4.814 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1740805703 WAFZQLLDTGZWKP-CYBMUJFWSA-N 431.712 4.942 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740815992 RCDMVDLDAWUXQU-RDJZCZTQSA-N 438.428 4.649 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCCC2)CC1 1740833892 ZBIPAPBZXUIWDE-KRWDZBQOSA-N 430.980 4.779 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)c2nc(C)cs2)CC1 1740836215 RJFJYNRIUDIZIN-OAHLLOKOSA-N 438.557 4.824 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740843840 QZEHVEWYHYOHHU-GOSISDBHSA-N 426.565 4.629 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)OC2CCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740851876 FGBZNUWDPTUZDF-HDICACEKSA-N 447.624 4.962 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCC(C)(C)C1CC1 1740920173 HAYZJTAGJQWASS-UHFFFAOYSA-N 427.618 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cccs1 1740921929 OCNURNXXQGJEPJ-JOCHJYFZSA-N 437.594 4.563 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H]1CCCCO1 1740998166 KMMNACVHSHDJTC-QGZVFWFLSA-N 437.009 4.532 30 10 IJEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccco2)ccc1OC(C)C 1748521426 DAFJEJOWOIOGTK-DEOSSOPVSA-N 435.528 4.512 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1csc(C(C)C)n1 1748649609 QOGKADRXIIBCTK-QGZVFWFLSA-N 445.596 4.616 30 10 IJEE C#CCCCCn1c(N2C[C@H](c3ccccc3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1748726642 JAZXOEIDPNBQRW-POGFHVCPSA-N 436.600 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCCC1(F)F 1748902774 KSBINRCWTHHNMG-OAQYLSRUSA-N 440.538 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCO1 1749053205 CUBCPGWFNYZRIA-MFSJNOQSSA-N 442.991 4.859 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)OC 1749119631 VBMKTOHXDIFGCT-LNLFQRSKSA-N 434.968 4.667 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(C)C)C1 1749257370 PRAYLYAMTKIXPI-QGZVFWFLSA-N 439.785 4.630 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2nccs2)CC1 1749330778 NBNYPUXXEKEJAN-UHFFFAOYSA-N 431.512 4.648 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1749331607 QOJRWEADRPQGCT-FXAWDEMLSA-N 445.405 4.661 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1749424845 PTBCIVJNCAFKHT-QFIPXVFZSA-N 447.505 4.922 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749538567 LETBOURTBPGFLC-RLWLMLJZSA-N 432.616 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H](CC)N1CCCC1 1749554416 SHMUKURFNLMZMH-PZJWPPBQSA-N 429.634 4.648 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1Cc1cccc(C(F)(F)F)n1 1749576372 KCMKSXXXHGNWDL-UHFFFAOYSA-N 443.473 4.518 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)Nc1ccccc1 1760104394 XRSKDCBCYIAYGH-SFHVURJKSA-N 447.608 4.762 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC(C)(C)N1CCCCC1 1760241511 BQGDOOBFSVYMMP-UHFFFAOYSA-N 437.607 4.979 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCSC[C@H]1C 1760328493 WRGQRVIQURVDJK-KNKQGSTJSA-N 444.670 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1csc(C(C)C)n1 1760339534 LVNRZOCQCBZJRT-UHFFFAOYSA-N 449.628 4.742 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(OC)C1 1760351724 KRDUACCEEOAAIK-PXDATVDWSA-N 442.604 4.633 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1760390166 FJXPSEBNOLAPFM-UHFFFAOYSA-N 431.437 4.627 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(F)(F)CC1 1760407364 AWCRTAXKJXSZAT-UHFFFAOYSA-N 431.531 4.985 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CCC(OC)CC1)C1CC1 1760475662 PLFSWDPDTBQOBT-QZRMGYTESA-N 430.637 4.947 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@H](C)N1CCC(C)CC1 1760477880 NPJJYHRPJZNLDW-OAQYLSRUSA-N 425.621 4.723 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCC=CO1 1761605586 AQSDEBZCLIBUAN-QFBILLFUSA-N 434.569 4.808 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1Cc1nc(C2CC2)cs1 1762648405 BMEMNICJONAGDJ-MRXNPFEDSA-N 436.585 4.540 30 10 IJEE C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1763207359 DCETYGCHQMSTSH-WBVHZDCISA-N 431.943 4.540 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1765780315 AKSSKORDSFWVAP-GCJKJVERSA-N 449.958 4.500 30 10 IJEE CO[C@](C)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1769535621 GULQDONFBUIVKP-WJONJSRFSA-N 431.968 4.625 30 10 IJEE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748612 VLNUVMZTJDCPEA-UHFFFAOYSA-N 438.509 4.683 30 10 IJEE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)cc1 1772750336 PQHFLRNVBDKHBG-UHFFFAOYSA-N 446.576 4.853 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 1772790021 IOZCNJGETWBKMT-LJQANCHMSA-N 442.254 4.868 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c(C#N)c1C 1859643698 SMYZDBHTAMRUDL-UHFFFAOYSA-N 428.901 4.505 30 10 IJEE O=C(/C=C/c1cccc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860728044 UCSZUJCRWHHRFR-FOCLMDBBSA-N 431.447 4.836 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)C1CCN(CC)CC1)c1ccccc1 1861160075 WXYSCWZOTPYBCA-DEOSSOPVSA-N 429.649 4.833 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(=O)n(CC(C)C)c1)[C@@H](C)CC 1861247680 RTYDGDUBBKVTDC-URXFXBBRSA-N 447.664 4.906 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cccn(CC(C)C)c1=O 1861285379 ZCBDRSZSPLETTQ-QFIPXVFZSA-N 433.637 4.660 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862404490 SZALYJHXGPXLKS-NRFANRHFSA-N 438.480 4.680 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1862431793 OTNABZOVSLDDGU-QKAVXHIFSA-N 441.911 4.908 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478165 ADSJSSJIGTVXKK-OAQYLSRUSA-N 448.500 4.786 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2Br)cc1 1862487877 LHPCKNFMCOQFBG-LJQANCHMSA-N 428.326 4.992 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(O)c2)cc1 1862507404 KMSVWRBKTCHEEJ-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(F)c2)cc1 1862517991 ZPJPHHBAEDEQFF-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862533898 NFVDTCGAPDZDSS-HSZRJFAPSA-N 432.520 4.734 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)ccc1O 1862549060 HLCBBUZGIVVICS-DEOSSOPVSA-N 449.547 4.904 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(Cl)cc1Cl 1862579452 PHNMKRMHKCFKRV-GOSISDBHSA-N 436.291 4.609 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1Cl 1862606824 AQTJZRPAHJEVCX-NRFANRHFSA-N 441.911 4.880 30 10 IJEE CN(C)c1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863129559 NPYDYJQIGNGUIT-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1 1868781154 FBNWRUPLPIXYMV-SANMLTNESA-N 431.536 4.902 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1 1870348716 JOWLAOGRMCZEAZ-UHFFFAOYSA-N 425.532 4.521 30 10 IJEE C=CCOc1cn(CCCN(CC)CC)c(CNc2ccc(Br)cc2)cc1=O 1870811402 YASJJKQWMRJKKD-UHFFFAOYSA-N 448.405 4.520 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871386634 FRCHKKWXWZDYRA-IWIPYMOSSA-N 429.472 4.987 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871404518 MCXMUDGLWWOFAT-GLFIFPSUSA-N 444.443 4.925 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871429739 WKHWDWMBUWGSBU-KQWNVCNZSA-N 438.520 4.949 30 10 IJEE COc1ccc(CCOc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871448502 RXIFWGRLSDAXKJ-OYKKKHCWSA-N 430.456 4.970 30 10 IJEE CC(C)(C)c1ccc(-c2csc([C@@H](C#N)C(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1 1872773565 QOHRUFADQGTELW-IBGZPJMESA-N 443.528 4.580 30 10 IJEE COc1cc(/C=N/Nc2cnn(-c3ccccc3Cl)c(=O)c2Cl)ccc1OC(C)C 1873528891 JOUGBCPPCLQAJD-BHGWPJFGSA-N 447.322 4.781 30 10 IJEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874247040 JCZJSPBNBJTIES-XQNSMLJCSA-N 437.525 4.667 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OC)c1O 1874266492 AEXPHVVAAGGCJQ-FOKLQQMPSA-N 444.944 4.775 30 10 IJEE CCCOc1ccc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SCC)cc1 1874292883 QQJDREXOBLNZFD-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cc(OC)ccc1OC 1874324712 UFKMSKVWSDOJRN-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(OC)c1OCC 1874380694 GMBLKVGXGPGZJM-BUVRLJJBSA-N 426.517 4.576 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2ccco2)cc1 1874387894 KIWOXCKCZQVREN-OEAKJJBVSA-N 433.493 4.853 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCO)cc1 1874409861 QGMOXNSVPMXASC-HKOYGPOVSA-N 430.618 4.937 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1c(F)cccc1Cl 1874485752 KZLKCYPMKPYQFE-LSFURLLWSA-N 426.945 4.542 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCc1nc(O)c2ccccc2n1 1874490872 OOYSOHVAIDERHF-SSDVNMTOSA-N 438.582 4.670 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C 1874513016 CBIKAAGGHODFAV-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)c1 1874516169 JWIXIVDIWUQBDG-FSJBWODESA-N 425.945 4.730 30 10 IJEE CCCOc1cccc(/C=N/n2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874524706 BMKANNCXPLVNEE-HYARGMPZSA-N 425.514 4.712 30 10 IJEE CCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874528094 RZPOMMJAULOXKS-BIKZULFDSA-N 435.597 4.816 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCC(=O)NC1CCCCC1 1874576206 BUJRRPORWLXUPV-JLHYYAGUSA-N 429.463 4.697 30 10 IJEE COc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCC(=O)NCc1ccco1 1874586058 TYXIHDQGNGJGPD-ZHACJKMWSA-N 449.503 4.505 30 10 IJEE CCN(CC)C(=O)COc1ccccc1/C=C/C(=O)c1cc(OC)c(Cl)cc1OC 1874587691 ZLPNGYDMGDMIIQ-VAWYXSNFSA-N 431.916 4.501 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)c1 1875145007 ZVHMUBLYXGQTOA-RMKNXTFCSA-N 427.453 4.850 30 10 IJEE C=CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2c(NCCCC)ncnc21 1875226403 CKRFQUCMELOGQX-UHFFFAOYSA-N 431.584 4.924 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC 1875235434 SFNZSFNSHQMZIP-UHFFFAOYSA-N 440.588 4.556 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc21 1890518275 YLKHGYGUPMBZGY-UHFFFAOYSA-N 432.442 4.824 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(Cl)nc(C)c(C)c3C)ccc21 1891303248 LYCUKLMRIHEFFX-UHFFFAOYSA-N 427.932 4.850 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(F)cncc2Br)C1 1892695032 KHUHAUBFYFSRIS-INIZCTEOSA-N 428.346 4.637 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCC#N)C1 1900607452 NBRBULKVUJMUDB-IQGLISFBSA-N 445.563 4.702 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H](CC)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1901530871 MUMVNBBVBVNGDF-AREMUKBSSA-N 438.527 4.948 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 1921506278 BUUSRSWBXLEKPH-GMAHTHKFSA-N 448.460 4.637 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)c(C#N)c1 2010517045 SYUJPDNIQVUBJP-LJQANCHMSA-N 443.931 4.650 30 10 IJEE C=CCN(CC[C@H](Cc1ccc(F)cc1Br)NCC)C(=O)OC(C)(C)C 2099286962 DVULBBZMIHATNC-QGZVFWFLSA-N 429.374 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)C(C)(C)CC1 2118153090 LFTRZEJKECWFAA-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2118191458 FOEXZCPNTNHDRI-ZIAGYGMSSA-N 426.330 4.732 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(CNC(=O)OC(C)(C)C)CCC(C)CC1 2124465495 SEJZFEDBEHHFRP-UHFFFAOYSA-N 429.399 4.631 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2c2ccc(C#N)c(Br)c2F)C1 2174769788 NKXIETCQARYJSG-HUUCEWRRSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 2181136072 TYDXDPPSKOHNED-KRWDZBQOSA-N 430.302 4.525 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CCCc3cccc(Br)c32)C1 2183006160 HXPKRPFDVWVPRW-UHFFFAOYSA-N 435.362 4.589 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1C=CCCN1C(=O)OC(C)(C)C 2235727172 GADQGZHERXECLM-WOJBJXKFSA-N 433.390 4.734 30 10 IJEE C[C@H](C[C@@H](N)C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235747122 NMWMITUOQWGWNC-QRQLOZEOSA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#CC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404077 BTRHIFFRLKBJHC-RTBURBONSA-N 437.422 4.913 30 10 IJEE Cc1cnc(NCc2cc(Cl)cc(Br)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2241090621 KTDFOEZIQLXLBN-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#Cc1ccccc1Cl 2245950437 JDLGQGBRNCNRSX-WTOYTKOKSA-N 428.960 4.517 30 10 IJEE CC1(C)OB(c2cnc(C(=O)N(Cc3ccccc3)C3CCCC3)c(Cl)c2)OC1(C)C 2255837220 LPLFOZCMVODDMR-UHFFFAOYSA-N 440.780 4.619 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1sccc1I 2278818404 RMVSNXDVSHWHNW-CQSZACIVSA-N 446.151 4.818 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 2296088951 YIAZBYHMCITRBZ-QHCPKHFHSA-N 446.478 4.631 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1Cl 2296133038 WQNBPKMNINSFJN-FQEVSTJZSA-N 438.842 4.509 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296225751 YQJXPFYEHQKEKN-IPMKNSEASA-N 435.406 4.718 30 10 IJEE C#CCOc1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1Cl 2297506292 VMQGOVQCBIFVAR-UHFFFAOYSA-N 429.950 4.762 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(CCc1nc3ccccc3[nH]1)CO2 2322172152 ITEVQFVGAQGVPB-UHFFFAOYSA-N 437.499 4.882 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4OC)c3C)C2=O)c(OC)c1 2322691893 QHHPHRGRVXIWDX-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccc(F)cc1 2323101645 BFICJTFJVLSVLH-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OC(=O)c2cccs2)cc1 2323582866 WKMZSEXJDYTNSC-UHFFFAOYSA-N 434.546 4.754 30 10 IJEE COc1ccccc1-c1csc(NN=Cc2ccc(OC)c(O)c2Br)n1 2323858636 WRKSXGGPIHIFPL-UHFFFAOYSA-N 434.315 4.741 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccn2C)cc1 2328336034 WNEGWQAZHHQTDL-UHFFFAOYSA-N 447.564 4.687 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)ccc1O 2330896035 BOBDUCOQWHSQND-HXUWFJFHSA-N 438.553 4.717 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(O)c2)cc1C 2331364795 XEQVKFHYSFZYLP-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC(=O)CC 2331445796 MZYGMZUKQWCVGD-UHFFFAOYSA-N 447.281 4.788 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cn(C)c2ccccc12 2331673183 KXKJSQUJTBHXEQ-UHFFFAOYSA-N 432.553 4.506 30 10 IJEE CC[C@H](N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511756 GVAQHQSWPUMNRS-OPXMRZJTSA-N 434.433 4.547 30 10 IJEE CC[C@@H](NCCCCCNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338516687 NUEHJEXLCWFXIT-OAQYLSRUSA-N 446.441 4.722 30 10 IJEE N#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Br)cc3s2)cc1 11075448 CPSQXLKNVOJZAA-INIZCTEOSA-N 442.338 4.756 30 10 IJEE COc1ccc(CN/C(=N\C(=S)Nc2cccc(C)c2C)Nc2nc(C)cc(C)n2)cc1 14156676 TZXLLHYBMFELTG-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2ccc3ccccc3n2)nc1C 32528202 SNKGOXZEAOVPJG-MRXNPFEDSA-N 427.551 4.852 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC)cc1 33761943 KQMVSYLQZCMVTB-HSZRJFAPSA-N 449.503 4.836 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1cccc(OCCC(C)C)c1 35443224 TWDNJSWZTDSQSJ-AYZYJWAHSA-N 449.547 4.736 30 10 IJEE CCCCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)c1 38623201 MHPGJPCTZPVPFH-SFHVURJKSA-N 430.504 4.753 30 10 IJEE C=CCc1ccccc1OCCCCn1c(CCCN2CCN(C)CC2)nc2ccccc21 39917542 QDDKGTICUPRVDR-UHFFFAOYSA-N 446.639 4.804 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4OC)c3C)C2=O)cc1 41285640 JHUSMRWNUXZLMZ-HMAPJEAMSA-N 444.439 4.626 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 41287619 GMRAJIDPZRRDLO-NHDPSOOVSA-N 431.400 4.747 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1OC 41656992 WSYLHRCFCDFDMZ-MSXFZWOLSA-N 429.472 4.672 30 10 IJEE COc1ccc(/C=C2\S/C(=N/N=C\c3ccccc3OC)N(Cc3ccco3)C2=O)cc1 47138411 WKCSTEDCZFEZML-QXZAMSPYSA-N 447.516 4.803 30 10 IJEE CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccccc2)c1 58949822 YVRLTLCHDMHNCG-JOCHJYFZSA-N 447.531 4.756 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n[nH]2)cc1 59019572 UHDJJEAOKUGRMZ-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC 100540973 FVBVYAFBZSBRCQ-WOJGMQOQSA-N 427.298 4.829 30 10 IJEE COC(=O)c1ccc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(C)C2=O)cc1 101130037 NXWLEPPTEKXVSM-FRYIGISESA-N 435.530 4.831 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 103091442 DNLDFYXATMFMGW-LAFOYAEKSA-N 449.488 4.603 30 10 IJEE COC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)S/C(=C\c2ccc3c(c2)OCO3)C1=O 103275225 URBJGOVHMKKZLF-SXGWCWSVSA-N 449.406 4.588 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925386 YWQZQOMQUDBOGC-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(N(C)C)cc1 169953968 SZTRVLGKBMDGQC-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(O)cc2)c1 169960554 QJOVTEMEUSQHNF-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OC(C)C)c1 169980128 XYDKWDMYOIOISA-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccncc1 170018530 YCMZPNMQOXLUKT-JOCHJYFZSA-N 436.870 4.976 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccc(OC)c1 170120917 PZYZBBDNTSLAER-IBGZPJMESA-N 429.900 4.654 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1 170242463 JNBFYBBJOAZALB-NRFANRHFSA-N 427.447 4.884 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170327164 ADGABGQMGMMINC-IBGZPJMESA-N 427.815 4.864 30 10 IJEE N#CCCn1cc(/C=C\C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc21 208951453 KMUAPOOUEHBBEG-NAMLBJQJSA-N 427.504 4.703 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1C12CC3CC(CC(C3)C1)C2 253575640 UVZHQUMCJQLJDK-UHFFFAOYSA-N 444.551 4.941 30 10 IJEE COc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OCc1cccc2ccccc12 254346164 BAEQDCHWLSVGAX-UHFFFAOYSA-N 446.528 4.740 30 10 IJEE O=C[C@H](Cc1cc(O)nc2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 309663113 NHYAERSLYNZRDN-SFHVURJKSA-N 438.483 4.589 30 10 IJEE N#CCOc1ccccc1CNc1ccc(Br)c(I)c1 312791964 PMULWIJKJJLTQI-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE CC1(C)OB(c2cc(NC(=O)c3ccc(OCc4ccccc4)cc3)ccc2F)OC1(C)C 404916265 OZRQZMSPBUGNFJ-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCc2cc(OC)c(F)cc2C1 460386319 IDPWEYMZJBMONO-UHFFFAOYSA-N 429.499 4.780 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)Cc1nc([C@H](C)SCC)no1 521834871 RGQLFLFEFKFVPY-KRWDZBQOSA-N 426.590 4.587 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1OC 526488492 JTAIEQPROLTVPX-JOCHJYFZSA-N 430.435 4.772 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])o2)c1 526514181 CTGRPEHJRFFSOY-OAQYLSRUSA-N 431.404 4.515 30 10 IJEE Cc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526825298 RLWQCOGHRFSYQF-YXSASFKJSA-N 427.288 4.618 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccccc1OC 526827892 MUFTUZCRBXNCAA-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 549685259 HXXMQXGDIZJNLU-GGAORHGYSA-N 433.604 4.521 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cc(C)cc(C)c2)cc1OC 586208267 XVHGTDTWLFOYCJ-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE Cc1ccc(C)c(Sc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)c1 609255477 HSVIJCNKBKCIEA-UHFFFAOYSA-N 433.508 4.720 30 10 IJEE C/C(=C/C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1C(F)(F)F 741917327 WTZFQSUPOXXRLY-SSZFMOIBSA-N 441.453 4.858 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 774765100 IGWVVCVYJQHSHJ-PMACEKPBSA-N 432.898 4.621 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)/C=C/c1ccc(Br)cc1 796122192 PMRQQQKXNOAIGC-MDZDMXLPSA-N 438.391 4.605 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])SC1=Nc1c(C)cccc1C 799210538 GRUBBUFVWFRFIG-SFHVURJKSA-N 440.525 4.500 30 10 IJEE Cc1c(NC(=O)c2ccccc2SCC#N)nnn1Cc1ccc(C(F)(F)F)cc1 802133734 GGCGPQNCIKGSAU-UHFFFAOYSA-N 431.443 4.522 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccc(Cl)cc1 811921400 BQENALAFZQUMDE-KRWDZBQOSA-N 448.832 4.669 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCc2cc(C)c(C)cc21 812179132 PMKFKOZKZWKXPX-UHFFFAOYSA-N 431.540 4.592 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)c1ccc(F)cc1 812750195 NRNYIIPMQGOTIW-IBGZPJMESA-N 443.272 4.568 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)Cc1cscc1Br 814567075 VOAGIRORSMQWOQ-UHFFFAOYSA-N 426.357 4.513 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1126229353 NPQHYEXAGUEYOE-SFHVURJKSA-N 434.280 4.835 30 10 IJEE C#CCN(C(=O)c1ccc(Br)cc1)[C@@H]1CCOc2ccc(Br)cc21 1126229946 UFCYTOLCNNOCDC-QGZVFWFLSA-N 449.142 4.811 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2CC(C)C)c1 1129696332 JIVHZMKGLIWCEC-WIYYLYMNSA-N 447.000 4.886 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H](NC(C)=O)c1cccc(Br)c1)c1ccccc1 1132949001 PMSVCUMOWBXYRY-LEWJYISDSA-N 429.358 4.840 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 1137857657 XEIABZJNCHJUNY-CVEARBPZSA-N 434.886 4.702 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C/c1ccc(Br)cc1 1141358743 IJFKODJUGLRIPN-JFDDCEBESA-N 443.769 4.614 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 1143078005 ZAOOGBZFMCDBJN-IBGZPJMESA-N 428.916 4.892 30 10 IJEE C=CC1(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)CN(C(=O)OC(C)(C)C)C1 1151952449 UWABNQNUEFJSMU-UHFFFAOYSA-N 434.949 4.610 30 10 IJEE C=CC[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCN(CC)C3 1165321432 MCXXLVNCONHHBL-HNNXBMFYSA-N 441.622 4.891 30 10 IJEE CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 1179881343 BKNPWYBZYYSKEK-AWEZNQCLSA-N 428.392 4.857 30 10 IJEE N#Cc1cc(F)c(N[C@@H]2COc3cc(F)c(Br)cc32)cc1Br 1186238346 CVSSLHGESNDTBW-CQSZACIVSA-N 430.046 4.907 30 10 IJEE CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1cccc(Br)c1C#N 1189847886 JDENOMYGNLIYSN-UHFFFAOYSA-N 449.109 4.598 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C(=O)NC3CC3)c2)cc1OC 1201759982 BKRYESVJINQQTO-UHFFFAOYSA-N 431.330 4.527 30 10 IJEE C=CCOC[C@H](NCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)OC 1205535079 CSJRXUBUPQLTSY-SFHVURJKSA-N 428.287 4.759 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1 1211816933 YMJDPQKXDSGSCM-QGZVFWFLSA-N 427.740 4.539 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 1226706340 MPNXMGYRGYJSEM-WOJBJXKFSA-N 428.374 4.514 30 10 IJEE C=CCC1(CNC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)CCCC1 1230332781 GLVTUCWWHYWEGS-CQSZACIVSA-N 433.350 4.996 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)cc1 1264730204 SRFFWKJDOPLTQP-UHFFFAOYSA-N 427.479 4.997 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)C(F)(F)F)cc1 1272444472 SXVJHNHZQFEALD-APPDUMDISA-N 432.364 4.994 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1)c1ccccc1 1277180185 AVYBONXQHWZOJZ-JOCHJYFZSA-N 430.529 4.530 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1csc(CCc2ccccc2)n1 1286305737 UPDATLKWDKOOLF-GOSISDBHSA-N 447.633 4.678 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSC[C@H]1C 1286357479 VXTDSVIRZUUDFO-CQSZACIVSA-N 425.385 4.519 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1286438703 BIAIXKVYGDXLDO-HSZRJFAPSA-N 431.584 4.787 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](CC)C1 1286603839 ZBFFNZRYYQWRKG-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1286646187 MYPXIZMDYIHZOH-UHFFFAOYSA-N 432.996 4.936 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CCC1 1286670065 CCTPFWOHCPJPHS-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1286697591 BIGYONCZASSWIQ-UHFFFAOYSA-N 430.600 4.716 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCN(CCC(C)C)CC1 1286728868 ILJRAHSMUIRPNA-FGZHOGPDSA-N 431.669 4.577 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CC1(CC)CCCC1 1286740500 OIIMNSCLABGVLK-UHFFFAOYSA-N 434.588 4.850 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@H]1C[C@H]1C 1286746694 CHMQCBCPXNMKJT-BEFAXECRSA-N 441.988 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1ccc(Oc2cccnc2)c(F)c1 1286754445 XZBCOGWTZNCWQF-UHFFFAOYSA-N 444.514 4.837 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2OC(F)F)cc1 1290545707 DFIHEBKAJBFQAG-UHFFFAOYSA-N 440.244 4.610 30 10 IJEE COc1ccc(-n2ccc(CNC(=O)c3ccc(Sc4ccccc4C#N)cc3)n2)cc1 1292081978 BDUNKKJPOOFOFV-UHFFFAOYSA-N 440.528 4.834 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Cl)c(Br)c(OC)c1N)c1ccc(Cl)cc1F 1297713929 XGQRCEIDHAHGKP-CYBMUJFWSA-N 446.103 4.590 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@@H]1OC 1300602389 QHKBKVKEYDTMMV-ZJOUEHCJSA-N 445.007 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CCC)CC1 1300818734 CLTJZONTIDTUGG-YDIMBITNSA-N 441.620 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](COc2ccccc2)C1 1300885093 NVFZOQBXNHAJPQ-LGVFNWMJSA-N 438.616 4.753 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOC2CCCCCC2)CC1 1301073076 WRWYQPJDHNWZBO-UHFFFAOYSA-N 425.533 4.749 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cc(C(C)(C)C)no2)CC1 1301091798 NSOCDLMWGWGCJY-UHFFFAOYSA-N 435.572 4.964 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1301120483 SQSIQYJDHVLXGM-SJBKTWHCSA-N 429.653 4.679 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(CC)CC)N(C)C)CC1 1301127476 NRJWUHSQEJEWMH-HSZRJFAPSA-N 445.602 4.916 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301223134 NISJFYPVBFZXHP-LJQANCHMSA-N 433.641 4.916 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1301236680 IBEHUBKMWFVXRH-XLGIIRLISA-N 438.616 4.915 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCCCC1=O)C1CC1 1301316439 KVURANRKUCCBOD-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H](CC)N1CCCC1)C1CC1 1301321160 XVGHPXNRKAZXBA-KRWDZBQOSA-N 444.421 4.737 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC(F)F)c(F)c1)C1CC1 1301329616 KTWVOBBRAHOLSJ-UHFFFAOYSA-N 449.502 4.577 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1nnc(CC)s1)C1CC1 1301331173 GDENJYDCMJZAGP-UHFFFAOYSA-N 447.033 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1Cc1csc(COC)n1 1301359233 IPFGXDHOESZOED-UHFFFAOYSA-N 437.594 4.850 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1Cc2ccccc2[C@@H]1C)C(C)C 1301366984 JJMDHROEAVJRRF-UMXIMWEHSA-N 449.643 4.952 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC1CCOCC1 1301597325 OLAUUJZPXQXIOI-UHFFFAOYSA-N 437.613 4.584 30 10 IJEE CS[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(CCC#N)CC1CC1)C(C)(C)C 1302587373 BCMQTFDOTDEMGF-HXUWFJFHSA-N 429.609 4.916 30 10 IJEE C=C(C)CN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)Cc1cnn(C(C)C)c1 1307762986 IYSFLRLMHJBFOG-UHFFFAOYSA-N 426.580 4.609 30 10 IJEE N#CC1(CNC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CCOCC1 1309996505 CGHGCWKRQKIVRY-UHFFFAOYSA-N 430.302 4.683 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc1 1310619591 VBRXWFCQEJDFGK-UHFFFAOYSA-N 430.512 4.776 30 10 IJEE C#Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 1311262652 DDEIDHPGBDQDBT-BBRMVZONSA-N 445.869 4.631 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 1311828776 GDQBPZJVFKDZIW-HSZRJFAPSA-N 427.976 4.501 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2cccc(Br)c2)CC1)c1ccccc1 1312333799 DGRPROLXPNUVPY-NRFANRHFSA-N 428.374 4.988 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1312840442 IKOWNAMNQJBITL-YZGWKJHDSA-N 431.552 4.559 30 10 IJEE COc1ccc(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1C#N 1331518312 CWQJVJRDBKGTMQ-UHFFFAOYSA-N 432.332 4.856 30 10 IJEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccnc(O)c3Br)c2C#N)C1 1349542310 FCPLAABOJNPTOJ-GFCCVEGCSA-N 448.386 4.815 30 10 IJEE C=CCC1(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)CCOCC1 1356442081 BYKHOLQXCTTXFX-KRWDZBQOSA-N 444.963 4.664 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCSC1 1358938865 KUWQDSYJDQOCAA-ROUUACIJSA-N 433.021 4.901 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC(=C)c1ccccc1 1359003433 KOOZCAAOWKEYEV-UHFFFAOYSA-N 427.371 4.942 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1359153914 XBJIWKWUYPKHJO-UYAOXDASSA-N 434.053 4.774 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1359164047 CLDBHQWNABDYKP-QUCCMNQESA-N 429.609 4.738 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1359181300 NNLJVZUCRWVHMV-DHLKQENFSA-N 438.616 4.937 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCO[C@H]1C(C)C 1359234747 ZIISGHVKQCAERX-PBHICJAKSA-N 439.423 4.843 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2occc2C)C1 1359313893 SUJSCALDPYYADE-YLJYHZDGSA-N 442.947 4.803 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS[C@H](C)[C@@H]1C 1359338189 OGMHLIDYELWPCC-DLBZAZTESA-N 440.642 4.585 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1)C(C)C 1359992848 GUQNRZAIFIOKJT-NRFANRHFSA-N 427.618 4.885 30 10 IJEE CCOC(=O)C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1C 1361262435 HELXIMGDUVONSW-VWLOTQADSA-N 442.515 4.870 30 10 IJEE C=CCN(C(=O)c1cnc(-c2ccccc2F)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1435901615 UIQARWIZFQQLNV-FQEVSTJZSA-N 438.524 4.752 30 10 IJEE C=CCCC[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 1438922308 PPQCPGJDUHBHAC-HXUWFJFHSA-N 435.593 4.941 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1441803977 VGHSQLKXOYWMLF-HSZRJFAPSA-N 449.526 4.533 30 10 IJEE C#Cc1cccc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1451444091 XSFIQQWDMNSRPX-UHFFFAOYSA-N 438.527 4.601 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CC(Oc4cccc(Cl)c4Cl)C3)c2c1 1458472505 ASIGQFMVVWMFND-UHFFFAOYSA-N 430.291 4.698 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C(C)(C)n1cc(C)c(C(F)(F)F)n1 1460781069 LLMIBFHJWVRCSQ-UHFFFAOYSA-N 446.267 4.911 30 10 IJEE N#Cc1cc(NCc2cn(C[C@@H]3CCCO3)nn2)ccc1Oc1ccc(C(F)(F)F)cc1 1461563960 HDRVMADJWYTYDG-FQEVSTJZSA-N 443.429 4.752 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(-c3cn(C)nn3)c2)cc1OCC 1461649342 PQJVHTACWGROEI-UHFFFAOYSA-N 443.345 4.820 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)c1 1464787290 IRPUIABMTQHIAI-COPCDDAFSA-N 444.572 4.775 30 10 IJEE C=CCn1c(Sc2ncc([N+](=O)[O-])c(C)c2Br)nnc1-c1ccccc1C 1472722333 OCITWUUGFJOERU-UHFFFAOYSA-N 446.330 4.965 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cc(F)cc1Br 1475384649 CCRNGBVHLNLSOM-CQSZACIVSA-N 432.742 4.707 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1(c2ccccc2Br)CCC1 1476316880 GBQYALHIMYBWCJ-HNNXBMFYSA-N 428.330 4.983 30 10 IJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)c1 1477189102 XMJNMVVVPZKNFD-FQEVSTJZSA-N 429.561 4.647 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCC3(Sc4ccccc4)CCCC3)CC2)c1 1477791341 AYTIVGJAZBIMMQ-UHFFFAOYSA-N 448.636 4.927 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CCOCC1 1479007070 GOCQQPSSIHJPEI-HXUWFJFHSA-N 434.458 4.925 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H]1CCO[C@@H](C)C1 1507655000 XLMWKVTZKNVGOH-GOTSBHOMSA-N 448.611 4.567 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507827088 SFPHUSXPIRFZNN-DLBZAZTESA-N 432.410 4.511 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(OC)CC1 1507837004 GJCFBPXFGQFADI-DVECYGJZSA-N 446.567 4.545 30 10 IJEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C/C(C)=C\c1ccccc1 1507870196 FUCNAGFETXBNNJ-VBKFSLOCSA-N 441.988 4.562 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)c2nc(C)cs2)CC1 1507901303 ILCSPHKCHQTUKC-INIZCTEOSA-N 425.577 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(SC)c1 1508019462 HIZXJAIPDOVKTC-UHFFFAOYSA-N 425.989 4.866 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC[C@@H](C)C2)C1 1508118071 WHJPSBZYGHNMSC-IYWMVGAKSA-N 428.552 4.775 30 10 IJEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1CC(OC(C)(C)C)C1 1511245628 DMVVYNWVEJDRGR-RGELYXPASA-N 425.552 4.679 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(CN(C)C)c(Br)c2)cc1OC 1523368120 LWRDVCKQNXZBGT-XFFZJAGNSA-N 445.357 4.736 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1523444374 LYQSVAAHUPDXIG-SZNDQCEHSA-N 425.356 4.964 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 1523858776 MSNHEOCUUBFJPO-FNORWQNLSA-N 449.334 4.725 30 10 IJEE C#C[C@H](NC(=O)CN(C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 1525054418 MYTZKFCPDKJNDM-QFIPXVFZSA-N 447.332 4.587 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1525639055 AGOQCDCEFTZFFG-FQEVSTJZSA-N 432.609 4.796 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)c2ccccc12 1527328813 HSYQNTOAATVLMU-GOEBONIOSA-N 435.886 4.734 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 1530781756 WNGMKASKPFQPFV-UHFFFAOYSA-N 432.505 4.822 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@@H]1CN(CC)c2ccccc2O1 1531660722 HYRKFOKDFUKPOQ-QGZVFWFLSA-N 434.458 4.630 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1535744039 MRJAEIXELDIXPB-QFIPXVFZSA-N 425.573 4.937 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 1536230650 CHMVZHIUKNKHFX-UHFFFAOYSA-N 444.837 4.526 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1537130836 JDYQDGXYCPPXFL-VFNWGFHPSA-N 440.462 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC1(OC)CCC(C)CC1 1539569743 STYXRZIYLYVSQR-ISISGCMPSA-N 440.563 4.584 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(CC(C)C)C(C)C 1539637341 PKKMEACVYFCBDY-ZJSXRUAMSA-N 426.605 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1539647700 XUHBFLUUJINZQR-WQJYWUQFSA-N 444.645 4.553 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1539778775 HJERCCMVKCHGHZ-IRLDBZIGSA-N 428.024 4.885 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ccco2)CC1 1539835659 HMXLXRUUMLLXFB-UHFFFAOYSA-N 429.318 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1539926512 OUSAPTGSKFEQOW-YTFSRNRJSA-N 438.616 4.795 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)CC1 1539954236 SXVZHEVFCJITGW-UHFFFAOYSA-N 433.478 4.732 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1540087388 XOWXFZOOSSVNCQ-KBMIEXCESA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCOC1 1540147466 MJPZAHLHIGPKFS-HMXCVIKNSA-N 444.645 4.877 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H]1OC 1540148493 XLOFNUUCFUXADV-ICSRJNTNSA-N 428.627 5.000 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)[C@@H]2C[C@H](OCC)C2(C)C)cc1 1540878204 RFQAOOCVUTUDSQ-PKTZIBPZSA-N 447.583 4.593 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2csc(C)n2)C1 1540886372 BMZHMMNMGGBDOA-KRWDZBQOSA-N 447.967 4.527 30 10 IJEE Cc1noc(C)c1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)C[C@@H](C)C#N 1543404378 DVEVKEHKLMCHSG-KRWDZBQOSA-N 436.560 4.619 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 1544886558 DHGJHDJZBLKVRD-DFIYOIEZSA-N 447.579 4.754 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1 1560110345 JEFTWMBLNPYSOD-FPOVZHCZSA-N 434.609 4.921 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2cc(Cl)ccc2Oc2ccccc2CC)C1 1565346691 VWDAPOQSIBEBFZ-QFIPXVFZSA-N 439.987 4.934 30 10 IJEE CCC(CC)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)NC(=O)OC(C)(C)C 1565992511 DMTAKOZHJRLORN-UHFFFAOYSA-N 441.528 4.544 30 10 IJEE C#C[C@@H](NC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1569922320 CVSRMYBWRZNCLU-RUZDIDTESA-N 444.575 4.812 30 10 IJEE C=CCn1c(SCC(=O)NCC2(COC)CCCCC2)nnc1-c1ccc(Cl)cc1 1584340015 JPSDCSHCXZQTOW-UHFFFAOYSA-N 449.020 4.590 30 10 IJEE C#C[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)c1ccc(Br)cc1 1584707674 CTMFAGKRKVDQSH-AWEZNQCLSA-N 434.746 4.669 30 10 IJEE C#CCN(C(=O)c1c[nH]c2cccc(F)c12)[C@H]1CCOc2ccc(Br)cc21 1586216263 CAPRCTNMVDMQJG-SFHVURJKSA-N 427.273 4.669 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 1586614551 XZHYIEWQSTYWDR-UHFFFAOYSA-N 443.469 4.710 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C(C)C)C2CC2)c1 1587841299 LRPSSAFWSXIBDB-QFIPXVFZSA-N 447.000 4.886 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=C)Cl 1588574347 FELIKQZKNHJZOH-QGZVFWFLSA-N 437.371 4.527 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCC(F)(F)C1 1588593556 BKOJSYPQKQRPSX-IAGOWNOFSA-N 448.583 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCC1(O)CCC1 1589250671 ATCCQIARZJXWSO-OAQYLSRUSA-N 431.005 4.521 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Cl)cc1Cl 1589580193 NDSDAHOKDCLEIX-UGSOOPFHSA-N 433.343 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCn2cc(C)nc21 1589687324 BLEHADPYHFTAKE-JOCHJYFZSA-N 448.615 4.959 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)c1ccccc1 1593775969 FMLCUCAGHBBLMW-QFIPXVFZSA-N 444.583 4.673 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)c2c(C)noc2C)CC1 1594246950 BTKJVCMBKIWQFQ-QGZVFWFLSA-N 435.572 4.688 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCCCC2)CC1 1594436632 ASVYFIFNINUSQK-FQEVSTJZSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1594497319 FMWVBZYVLNGWJV-GGAORHGYSA-N 443.680 4.865 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)c1ccsc1)C1CC1 1595038568 YJYOWKSVZQIOFC-QFIPXVFZSA-N 444.988 4.731 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@H](C)C1 1595101192 ZPGDURUSNOIZDB-HYBUGGRVSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1595115227 GMUHVCXBIIIADP-GMAHTHKFSA-N 448.615 4.713 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1CC1(O)CCCC1 1595165806 MPGAFJYBWFMANN-UHFFFAOYSA-N 438.597 4.725 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(C#N)CC1 1595850776 SYLKUFNOVHRERF-UHFFFAOYSA-N 446.418 4.757 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1nc2c(s1)C[C@H](C)CC2 1607672785 BSKAACSVXVJMHO-CJNGLKHVSA-N 442.025 4.652 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 1611214175 USDALZCVIJPLMP-GOSISDBHSA-N 429.904 4.773 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CCc2ccncc2)cc1 1620349186 HDUNLPFZGZCSOJ-UHFFFAOYSA-N 440.473 4.623 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCOC[C@@H]3CC(C)C)c2C#N)C1 1620446091 HGKXQDJZLQNXOU-MSOLQXFVSA-N 431.646 4.846 30 10 IJEE C#CCSCCNC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1630872504 JQKTWHWWQIIVBK-UHFFFAOYSA-N 444.425 4.942 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 1637228873 PUBHMFOXRLQJLY-UHFFFAOYSA-N 443.485 4.607 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 1638354038 ZTNGZYCJWFWMCJ-XMMPIXPASA-N 437.461 4.992 30 10 IJEE C#CCN(C(=O)c1cc(C)n(-c2ccccc2C)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1644788505 WWADCXOQQXXWHG-UHFFFAOYSA-N 449.595 4.877 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 1651573471 PBDQNRRSKNEIFP-HOTGVXAUSA-N 430.643 4.740 30 10 IJEE CCOC(=O)c1c(NC(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c(C#N)cn1CC 1662775505 HDVQPPIZRBLLJC-IBGZPJMESA-N 436.556 4.776 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1)c1ccc(Cl)cc1 1664283578 QVKGZQJKPGLGKN-HSZRJFAPSA-N 438.936 4.618 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1)c1ccc(Cl)cc1 1664283579 QVKGZQJKPGLGKN-QHCPKHFHSA-N 438.936 4.618 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@H](c4cccc(Br)c4)C3)cc21 1664928899 BJXKUSHLIXVVMH-FQEVSTJZSA-N 441.329 4.590 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)cc1OC 1665819668 HWLXMAJZUJKRTO-GOSISDBHSA-N 443.849 4.936 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)CCCCC1 1666669676 KDYKGIJKULIMRE-UHFFFAOYSA-N 449.617 4.660 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2)cc1 1668462840 HZWVVOVJMSHEIS-UTKZUKDTSA-N 436.512 4.668 30 10 IJEE CCOC(=O)c1c(NC(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)c(C#N)cn1CC 1671036721 ICARFMPOTDJKKR-GOSISDBHSA-N 430.936 4.771 30 10 IJEE COc1cccc([C@H](C)N2CCN(C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)c1 1671685718 CPFVIZIDSCPWTK-INIZCTEOSA-N 426.586 4.837 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 1672708302 KDHKPDCCRZMSTK-IBGZPJMESA-N 444.373 4.752 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 1677442373 HGHOATVFNLIKMR-NRFANRHFSA-N 427.342 4.802 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Br)cc1 1679159795 KNWMXXAOCTVTNZ-ORYQWCPZSA-N 427.342 4.591 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@]1(O)C[C@H](OCC)C1(C)C)c1ccc(C(F)(F)F)cc1 1679304290 GYESQRKQKLSVBC-BBTUJRGHSA-N 428.495 4.578 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(NC2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 1680855217 KQDAIRPKIXKECP-OAQYLSRUSA-N 439.522 4.655 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 1683203593 WQOQKDQMUGAKOD-GJZGRUSLSA-N 427.998 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2ccccc2)nc1 1689856295 NLHNRRJMMKRDPH-GOSISDBHSA-N 429.549 4.624 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1689926641 VGAZBFRXYAWDBE-UHFFFAOYSA-N 440.551 4.786 30 10 IJEE C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1689971916 AOHOIFPTUBEEIU-DHLKQENFSA-N 447.652 4.667 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1690227744 GJNOHMWOUGAHJN-UKRRQHHQSA-N 441.320 4.556 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1690248267 MAZKOFSSGMMRGN-ZJSXRUAMSA-N 438.616 4.809 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cn2ccc(C)cc2n1 1690266983 PQHIIYMCYJYWII-UHFFFAOYSA-N 436.510 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC1(C)C 1690419310 NEBQMCTZDCAHPY-UHFFFAOYSA-N 429.996 4.843 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)CN(C)C 1690518721 SMVLXPGNLLCFMP-UHFFFAOYSA-N 440.817 4.571 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1690554208 XQHLDIPWOZNOBP-ZHHKINOHSA-N 430.637 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1Cc1cnc(C)s1 1690579378 KQGYMLJAZWEXAF-UHFFFAOYSA-N 442.639 4.701 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(C)CC1 1690595584 ZJXWGZPAMIBXOM-IBGZPJMESA-N 429.609 4.761 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCCC2(F)F)C1 1690705023 ADERRRJXCNGLBX-LEWJYISDSA-N 430.543 4.784 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)C[C@H](C)C2)cn1 1695616073 FGOSFVGDSIMABL-PMACEKPBSA-N 443.599 4.589 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1705524921 VDHVCKHILCTVBB-ACRUOGEOSA-N 440.563 4.614 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(C)C)C1 1705625416 JLNJUBNKLBOJOS-JOCHJYFZSA-N 437.607 4.835 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705759844 WLISFFHWLIUTSN-QHCPKHFHSA-N 448.995 4.650 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCc2ccccn2)CC1 1705778750 JCLQOCFKNWDQPN-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC(F)(F)F)CC1 1705783156 VHFVOYUHNXJQGJ-UHFFFAOYSA-N 428.886 4.851 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1705813354 DWIYVFVZOXDXRQ-UHFFFAOYSA-N 434.563 4.725 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccoc1C 1705818087 ZXZQOGWYIMESPD-UHFFFAOYSA-N 443.592 4.897 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1csc([C@H](C)OC)n1 1705836889 JVNIRXXDRLQMRN-CABCVRRESA-N 443.642 4.966 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705947639 SRVLQBKKOGGPJM-LJQANCHMSA-N 432.609 4.711 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCO[C@H](C)C1 1722280524 KGZVCYSTSBVZQR-IPMKNSEASA-N 426.630 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](SC)C(C)(C)C 1722304327 YKKKKQNGXKTJNJ-LPHOPBHVSA-N 432.659 4.815 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1722430401 DOGAWQJYSHMSCQ-LJQANCHMSA-N 431.437 4.729 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(F)(F)F)CC1 1722455322 SIUMNJLQEXGYOC-UHFFFAOYSA-N 445.514 4.638 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722569153 OMHOSGPUDSFLKZ-FPOVZHCZSA-N 443.636 4.813 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(CN(CC)CC)c2)CC1 1722578060 XSIIVQKPRSPWNO-XMMPIXPASA-N 437.632 4.812 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1722597844 SVEOUHICLUVACN-PZJWPPBQSA-N 442.629 4.721 30 10 IJEE C=CCCCCn1c(N2CCC=C(c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722609846 GXVUEILMSBKRGG-AREMUKBSSA-N 436.600 4.969 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722626873 IXDVMZBCLXORTQ-SFHVURJKSA-N 432.996 4.976 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722658193 GPZNNWPYZUIUQP-HXUWFJFHSA-N 441.620 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)C(F)(F)F)C1 1722722759 QZCXYNDLORPJHK-BRWVUGGUSA-N 444.542 4.567 30 10 IJEE CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1723236694 BAHORSIGYOLPHQ-NZQKXSOJSA-N 442.007 4.713 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(C)CCCS1 1740664835 FLRZSUWCGAODRQ-XMMPIXPASA-N 436.581 4.862 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1740709279 LOJIJUYODXKZAF-DYESRHJHSA-N 447.048 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)cc1OCC 1740728329 VUICYOFXEQWBOQ-XMMPIXPASA-N 435.959 4.741 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@@H](C)C1 1740790415 RSCBHUDPWJRZMC-HXUWFJFHSA-N 442.604 4.960 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H](C)N2CCCCC2)CC1 1740826189 CMDFNYPBVTZPRD-FQEVSTJZSA-N 428.024 4.943 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(F)cccc2Cl)CC1 1740836967 UXXWVLRFLGGDGV-HSZRJFAPSA-N 448.970 4.562 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1740945471 OFAYFDXAMGQSNM-UHFFFAOYSA-N 425.577 4.523 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C(C)C)CC2)C1 1740972990 PJODVINVBPSORZ-WIYYLYMNSA-N 428.552 4.775 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CC(C)C)CC1 1748831344 LMPQVCYXUGJJKH-UHFFFAOYSA-N 443.364 4.746 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCN1CCCC[C@H]1CC 1748867863 NKTIMLPHEKSJQI-JWQCQUIFSA-N 431.628 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCS1 1748868988 PLAKUUWPJBSUSE-HSZRJFAPSA-N 443.620 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CCSC1 1749139496 GFMBGHUTVMHBMQ-DXIQSLLYSA-N 444.670 4.802 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)COC)CC1 1749310323 ZWEZYANCSMYYJB-GOSISDBHSA-N 432.996 4.690 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1749402505 OXCYVAHPLFVGFF-DHIUTWEWSA-N 429.653 4.824 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(C)C 1749545258 ZGIZDDJJHFCMRN-UHFFFAOYSA-N 438.601 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCCN1CCCCC1=O 1749548335 AONNMFUCQDMKSS-UHFFFAOYSA-N 439.585 4.503 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCO[C@@H]1C(C)C 1749592679 UGTWGBCXFJHNSB-HYBUGGRVSA-N 449.599 4.502 30 10 IJEE C=CCn1c(N2CCc3sccc3[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749646429 QVMLLKOSJXXPAP-SOLBZPMBSA-N 443.617 4.810 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(F)(F)F)cc2)C1 1749718428 VIYADGWBSVVASG-HXUWFJFHSA-N 434.506 4.859 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1749751551 YOPFBAJLCJNBOI-XMSQKQJNSA-N 437.613 4.799 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@]2(CC=CCC2)C1 1749762444 VHTNHHWTICXQAV-JOCHJYFZSA-N 429.659 4.880 30 10 IJEE C[C@](O)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)C1CC1 1751246699 BRRANYBVIYIOBT-QFIPXVFZSA-N 446.020 4.515 30 10 IJEE Cc1nc2ccccc2n1CCn1c([C@H]2CCCCO2)nnc1N(CCC#N)CCC(C)C 1751794874 DHQJYAVLMRENNJ-HSZRJFAPSA-N 449.603 4.644 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760161406 JCTCXIUOLSBHIZ-TZIWHRDSSA-N 443.636 4.821 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C(C)(C)C)C1 1760276874 RZFLDSPBHJPPGO-INIZCTEOSA-N 433.021 4.846 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)c1ccco1 1760308598 LMXULROLJRHAFR-CYBMUJFWSA-N 437.288 4.846 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(C)C)CC1 1760313875 GOKAYTPVSDARQS-QZTJIDSGSA-N 439.442 4.978 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2nccnc2C)CC1 1760396529 FPBAXHIGVQMYAX-OAQYLSRUSA-N 446.599 4.778 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1CCc1nc2c(s1)CCCC2 1760467951 BZUVBJCOHCIFOM-UHFFFAOYSA-N 437.613 4.620 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(C)OCCc2sccc21 1761358892 IBMOHWCHFKFLLQ-NYHFZMIOSA-N 441.988 4.886 30 10 IJEE Cc1ccsc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1 1761629033 CQOHOYXGXBOYGG-JPYJTQIMSA-N 439.560 4.895 30 10 IJEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1765127543 DZLLDVMRZPRIER-SLFFLAALSA-N 437.588 4.559 30 10 IJEE C=CCNC(=O)Nc1ncccc1O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 1858792421 DFPIESGSWBVLHX-QGZVFWFLSA-N 432.480 4.587 30 10 IJEE CCCCCCCOc1cccnc1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1 1858854276 XLQSUWZLTFUNPL-UHFFFAOYSA-N 425.577 4.827 30 10 IJEE COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860132700 HHSONQUJPGRGPQ-HNNXBMFYSA-N 449.894 4.879 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4ccc(F)cc4F)CC3)cc2)c1 1860685071 ZNPVVTIHGHAOTF-UHFFFAOYSA-N 444.437 4.985 30 10 IJEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1862100930 ZDPUVDODAWOFEJ-XMMPIXPASA-N 442.563 4.598 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1862237040 FZKQNCZHQWDYFS-SFHVURJKSA-N 436.396 4.823 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862396580 IWYDLWQMHZVGFI-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2c(F)cccc2Cl)cc1 1862397781 SBUURDNJAAHHTL-SZNDQCEHSA-N 445.918 4.781 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)ccc1O 1862436866 DBPJWJCFYJAEKW-FQEVSTJZSA-N 429.900 4.679 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)c(O)c2)ccc1F 1862503553 ZRXKPSZWXJQDMP-FIRDEBMASA-N 439.483 4.702 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862509133 YKBKAPKYWSVLME-SFHVURJKSA-N 438.282 4.666 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862533670 MVVZVLFRMIAQSU-QHCPKHFHSA-N 441.483 4.726 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1862584048 OYTNCHFHKSOFKB-BMLIUANNSA-N 440.710 4.606 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCc2ccccc2C)cc1 1862602679 IAJJJYOICSUKCV-XMMPIXPASA-N 443.499 4.878 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@@H](C)O)c1 1862721455 FPHCZWQGCPHLFE-KOSHJBKYSA-N 427.500 4.621 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(CC)cc3)C2=O)cc1 1862828165 ZMVZWMHGIITTRU-UHFFFAOYSA-N 437.499 4.916 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3ccc(F)cc3F)C2=O)c1 1862946255 DSETWSBKXBSCJD-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968545 TZGNZASEEGRTPN-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(Cc2ccco2)C1=O 1863392281 XOEJXLUHLKEFGM-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2cccnc2)C1=O 1863810856 ZQQCYFMZNVRWOI-UHFFFAOYSA-N 430.552 4.793 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 1864202626 LQDNSLLATJFPAM-HSZRJFAPSA-N 442.563 4.609 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870106420 LIGXOHHQFIUKSP-XBXARRHUSA-N 432.698 4.810 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1870107483 KSFZIKARKVFAHN-CSKARUKUSA-N 426.307 4.719 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CN(CCC)CCCC 1870335131 KCKXLWHIRVJFFS-UHFFFAOYSA-N 439.600 4.681 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1OC 1871366634 JIHLJPRDLBMLCU-XNHXLOTDSA-N 432.428 4.840 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCc4nc(O)c5ccccc5n4)c3C)C2=O)cc1 1871430662 NTIBWSUIXCNDQV-XKZIYDEJSA-N 440.455 4.848 30 10 IJEE CCCCCCCCN=c1[nH]c(=NCCCCC)[nH]c(=NCCCCc2ccccc2)[nH]1 1871742205 RPAMCSKVQQKKDL-UHFFFAOYSA-N 440.680 4.947 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871983409 DSEUJOFJHMCEPV-HXUWFJFHSA-N 444.597 4.523 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871986712 FAYUGPDGPGFAIT-VGOFRKELSA-N 446.588 4.981 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)CCC 1872204289 VAVRMVUFNUCIPE-QHCPKHFHSA-N 428.598 4.853 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872488943 SIJXFAMAFWFPBO-HXUWFJFHSA-N 438.952 4.628 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872774574 VUOVGQJHVGUUHV-SQUITACLSA-N 432.501 4.870 30 10 IJEE N#Cc1cccc(Nc2[nH]c(=NCCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 1873478743 SVFOSOVSEQLIII-UHFFFAOYSA-N 445.530 4.897 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2c(N(CC)CC)ncnc21 1873670754 OJVKGEMOCWXYMR-UHFFFAOYSA-N 432.572 4.706 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)cc1 1874292011 HFKGQPIPSYVEIH-ZMOGYAJESA-N 438.484 4.772 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC)cc1 1874295129 LKBIREDWZOPHBC-XQNSMLJCSA-N 439.541 4.950 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874316603 BPOIPLMVNMEUBM-HZHRSRAPSA-N 437.525 4.748 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874358309 ACRNRTOOZTWCMM-AFUMVMLFSA-N 434.565 4.807 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 1874473846 ZYJKNWGCJGLMBD-ZMOGYAJESA-N 425.945 4.776 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(C)nnc1SCC(=O)Nc1ccc(F)cc1 1874530510 NCKAYIKZTXYFNO-DHRITJCHSA-N 449.511 4.500 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 1880013541 CXUQWXBXLNJXMA-KHCICDEESA-N 427.545 4.715 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1 1894967087 QZAZERFYMYJGAH-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1)NCCC 2009296866 ZUQDGUVTOZNLTE-MZYLBHOOSA-N 432.605 4.542 30 10 IJEE C=C(Br)CCOc1c(Br)cc(Br)cc1C[C@H](C)N 2045035218 OQPZMSLLAIGRSM-VIFPVBQESA-N 441.989 4.779 30 10 IJEE CN1CC(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 2053622193 PLWPGDVHPRRUCQ-UHFFFAOYSA-N 448.262 4.791 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079014258 YMCUDWGAZVRQRV-NIQDBXHUSA-N 435.309 4.871 30 10 IJEE CN(C)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079218849 SIZBFUIXQLZNNE-UHFFFAOYSA-N 448.136 4.513 30 10 IJEE N#Cc1cnc2c(-c3cccc(I)c3)c(C3CCC3)nn2c1Cl 2081444780 DEHWBXZKHBYBJD-UHFFFAOYSA-N 434.668 4.793 30 10 IJEE C[C@@H]1C[C@@H](CNc2cc(Br)c(C#N)cc2F)CN(C(=O)OC(C)(C)C)C1 2115934950 FCHHFEOYHHCHGV-OLZOCXBDSA-N 426.330 4.765 30 10 IJEE Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc(C#N)cc1Br 2129305793 LPBWZJKWWYGUGD-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE N#Cc1ccc(Br)cc1N[C@@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156285354 RMOAKPNCTRWRNB-RBBKRZOGSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3ccc(C#N)c(Br)c3F)C[C@@]2(C)C1 2172912363 KBLKHSYAUHISBH-MNVSYLFESA-N 438.341 4.907 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)N(c2ccc(Br)cc2C#N)CCN1C(=O)OC(C)(C)C 2174816809 IHKGLKGREUBKRZ-ABAIWWIYSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1c1cc(Br)cc(C#N)c1 2185155303 VYULGYSAEIJYEM-MRXNPFEDSA-N 444.320 4.840 30 10 IJEE CCN[C@H](C#Cc1ccc(CC)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2231212020 APEZFNDUFBMBGQ-CLJLJLNGSA-N 449.639 4.604 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CCNC(=O)OC(C)(C)C)C(C)C 2235716724 GZHIEZXJIREGQE-UYAOXDASSA-N 437.422 4.966 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 2235720050 HAHMIXBWVNMTIF-NBCNXNJRSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CC1(C)C 2235720246 PBONZKZTHYVERN-PGRDOPGGSA-N 435.406 4.862 30 10 IJEE N#Cc1ccc(Br)cc1NC1CCC(NC(=O)OCc2ccccc2)CC1 2249992035 SFYRHYDBIGXJRJ-UHFFFAOYSA-N 428.330 4.970 30 10 IJEE C=CC[C@@]1(COc2cc(F)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272142501 ABRSHBXKNJHURF-LJQANCHMSA-N 429.330 4.753 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1cc(Br)cc(OC(F)(F)F)c1 2272998558 HZPPSAFOZVMARQ-ZIAGYGMSSA-N 440.256 4.851 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@@H](O)CC#CC1CCCC1 2289901946 VWEOYGMQTQBZDF-UXHICEINSA-N 436.390 4.830 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCc2c(Br)cccc21 2292198270 FFLBUTYEVGDJKS-QFIPXVFZSA-N 431.326 4.855 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296267895 YDGYUEOQNHRMTA-RNQOJCNYSA-N 433.390 4.567 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296298596 LUPXZQJEIVWPGB-HZPDHXFCSA-N 449.311 4.624 30 10 IJEE C=CCC1(NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2302809175 BDHQLBYZKZAHFQ-OALUTQOASA-N 437.625 4.615 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2312487760 PBOGHJLNZBPOHH-JLLPCOHGSA-N 444.616 4.542 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(CCC1CC1)NC1CC1)Cc1ccccc1 2318399071 NVAUUQKBWHLQKO-MUUNZHRXSA-N 430.640 4.825 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(C)nnc1SCC(=O)Nc1ccc(C)cc1 2321108666 AUUBWLYVKSPZSD-UHFFFAOYSA-N 445.548 4.670 30 10 IJEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)OC(=Cc3ccncc3)C4=O)C2)cc1 2322437211 NACUWSGODWYNOI-KRWDZBQOSA-N 428.488 4.928 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cc(C)c(Cl)cc2OC)cccc1OC 2322926715 MRQJWQFRVNGBCM-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)c1OC 2323290915 RAVPCSJBDSIDTD-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2323792085 LAKWFDWORFJCTQ-UHFFFAOYSA-N 429.472 4.987 30 10 IJEE Cc1ccccc1CN1CCN(Cc2c(O)cc(C)c3c2OC(=Cc2ccco2)C3=O)CC1 2324197109 VTEOLXRTWSJWOB-UHFFFAOYSA-N 444.531 4.536 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3)c2)cc1 2325719659 JXRGEEPXVMQFQG-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)COc1ccccc1 2325742538 JVFNQMUBHAQJJT-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2Cl)cc1[N+](=O)[O-] 2326546506 SUCMCUKHQBELHY-UHFFFAOYSA-N 445.932 4.975 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2327264720 BLXOHWXSCZZGTB-UHFFFAOYSA-N 425.514 4.685 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(OCC)cc1 2328484276 KFJJGKVGMDUVCE-UHFFFAOYSA-N 437.525 4.726 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2)cc1 2330472371 UJFXCZWVHJUVML-UHFFFAOYSA-N 429.505 4.952 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccco2)c1 2330805498 YGQANSUGUKTZII-UHFFFAOYSA-N 425.558 4.690 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc2c(c1)OCO2 2331108777 PAXKMALISCXKIF-UHFFFAOYSA-N 438.382 4.817 30 10 IJEE COCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(C)C)cc1 2331260081 GADXZDXJTXAVKK-UHFFFAOYSA-N 439.541 4.673 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)COC 2331418291 OABCHVBCIDHFKK-UHFFFAOYSA-N 441.480 4.739 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)C)c1 2331673134 CSPGAKBRPJEWGJ-UHFFFAOYSA-N 437.569 4.645 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)COCCOC 2331710112 QCCWBHHHVLCKNY-UHFFFAOYSA-N 438.520 4.505 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(C)cc(Br)c1OC 2339687539 XDGSKVDPQQSVRF-DLBZAZTESA-N 427.383 4.886 30 10 IJEE CN(C)c1ccc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9602018 BPOXOWAOFKAEFF-JOCHJYFZSA-N 431.515 4.808 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041766 BBQASIGPYUSDHK-UHFFFAOYSA-N 432.545 5.000 30 10 IJEE COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1OC 16037368 OWPKVTMAQQUQEE-TZRRMPRUSA-N 441.531 4.846 30 10 IJEE C=CCN(C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccccc1 18485757 XQLUEGYSZHXNOK-UHFFFAOYSA-N 441.560 4.700 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cc(OC)ccc2OC)cc1 21660451 HYFKXXIEEHQBRC-VOIUYBSRSA-N 446.503 4.967 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 34955443 DQDXAJFMOMVMCP-AUWJEWJLSA-N 448.471 4.836 30 10 IJEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 41653546 ZFLSXIMCMXFIKQ-RMORIDSASA-N 431.419 4.523 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1 63394038 QBKDWHVXOJHOEA-UHFFFAOYSA-N 430.892 4.608 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCOc3ccc(Br)cc32)cc1OC 108779641 UNKOKXAWJDBFDF-QKYXPGDISA-N 444.325 4.676 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923129 FAWPMCYXZUMTCD-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1OC 169939856 HRJQYZRRRATFIL-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 169991447 CKRZQDDQPKRKGN-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OCC(C)C)c1 170040263 GTGFOMMNHAUIHO-OAQYLSRUSA-N 443.927 4.600 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170050827 PJDHOHLXXKEJGK-NRFANRHFSA-N 447.874 4.910 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(C)c2)cc1 170139863 OOUKXMVGKXXAAK-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccs2)c1 170154884 WGMPPLMPTOPUKE-IBGZPJMESA-N 449.956 4.804 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)c(C)c1 170173786 UNCPWCBZAAKVJD-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)c1 170174202 CEMAEFPXFICRKC-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 170237022 SUGLYDDFSATTQV-LJQANCHMSA-N 426.856 4.769 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)s1 170248354 FAKAAMNHOPZJJW-SFHVURJKSA-N 426.444 4.821 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1cccc(O)c1 170263073 KJAHAHPQOMRUTM-KRWDZBQOSA-N 436.291 4.696 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)cc1 170271849 LAEDUIHUCKLHJU-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)ccc1Cl 170282194 VBIZOOWAALZQRX-IBGZPJMESA-N 427.815 4.864 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccco2)cc1Cl 170288306 RRPZGZDRZZPCKD-LJQANCHMSA-N 438.823 4.933 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cc(F)ccc4F)[C@@H]3c3ccco3)ccc2O1 170290969 LGMJSUOHQBICMG-LAJNKCICSA-N 437.398 4.664 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1C 170305334 QCEHYDJBHFYBBA-HSZRJFAPSA-N 442.471 4.868 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1cccs1 170312578 UPHPKUUQDSHFGX-QGZVFWFLSA-N 440.502 4.805 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170360962 ITFSUOLAEHDICM-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170455273 BBLKDDHABXACRZ-NRFANRHFSA-N 432.524 4.534 30 10 IJEE C=CCNC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@@H]21 226724257 GDLOSKPMDZBLHF-HTZUNMPGSA-N 425.326 4.897 30 10 IJEE COCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1ccccc1 252621810 NHEHBAVKQFQKJV-IBGZPJMESA-N 445.972 4.645 30 10 IJEE C=CCN(C(=O)c1sc(-c2ccccc2C)nc1C)c1nc(C(=O)OCC)cs1 483965506 YBZJLQJOAYBXEZ-UHFFFAOYSA-N 427.551 4.893 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 508868395 UWORTHNEQHMAOF-LJQANCHMSA-N 431.584 4.661 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CN2CCCCCC2)C1 508885043 LVHLKSNKWMWGEM-OAQYLSRUSA-N 430.600 4.772 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 519902663 ZJSOYUGDWXUWNA-UHFFFAOYSA-N 442.279 4.704 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OC)c2OC)cc1 526487491 ZGCRVNKPIFDKFI-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cn(CC)c2ccccc12 526826502 SHCVWYQTTGBLGR-QFEZKATASA-N 447.564 4.776 30 10 IJEE CC(=O)c1cccc(OCc2cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)no2)c1 536125729 NWBVTPXQGXPEDY-UHFFFAOYSA-N 444.472 4.704 30 10 IJEE C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 563839743 CYSVHMVFHLKMLL-HNNXBMFYSA-N 432.343 4.784 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](c2ccsc2)C1 581619985 BVCLBMYOLIENEV-SFHVURJKSA-N 432.496 4.762 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1F 733196718 GAIUNTYXFVJCHP-SFHVURJKSA-N 447.894 4.602 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 744840117 MPOKNTOOGFNDPD-ORAYPTAESA-N 435.307 4.839 30 10 IJEE C/C(=C\C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 749621148 SSDWLCNJQRPVMM-ATEOEAFZSA-N 445.466 4.521 30 10 IJEE N#Cc1ccc([C@H](O)CN2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 769230867 VKSZYELKMAIUDB-RTBURBONSA-N 444.375 4.703 30 10 IJEE C=CC[C@]1(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)CCCN1C(=O)OC(C)(C)C 791808562 FTAUHNQBXUHZRL-XMMPIXPASA-N 440.496 4.783 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809894289 AEJKBPZANXTEHG-NDEPHWFRSA-N 438.575 4.739 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)c1 1125714372 TWEVJFKXBMXVKB-OAQYLSRUSA-N 428.557 4.878 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccccc3F)C3CCCC3)CC2=O)cc1Cl 1126918856 GUEQLOOGKFVDIJ-UZUQRXQVSA-N 439.918 4.751 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3Cl)c3ccc(F)cc3)CC2=O)cc1 1127363179 HPQMFCJWHFNVPD-IBGZPJMESA-N 447.897 4.937 30 10 IJEE C=CC[C@H](C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1136904738 YWLPZGBOYLVAOR-GOTSBHOMSA-N 437.584 4.795 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(COCCc2ccccc2)c1 1142331800 OEHCTIPLBIHGBT-HSZRJFAPSA-N 436.552 4.691 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 1144437764 HOTRLXKZJIBVQW-SFHVURJKSA-N 427.570 4.981 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CCCC1(C)C 1156189711 DIZJCVNFHPSZOV-HSZRJFAPSA-N 440.609 4.680 30 10 IJEE C=CCn1c(SCN(C)C(=O)C(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1164535250 QNIBPARYWHZKLQ-UHFFFAOYSA-N 445.585 4.923 30 10 IJEE Cc1c(C#N)c(NC(=O)Cn2ccnc2[C@@H](O)C2CCCCC2)n(C2CCCCC2)c1C 1166500249 BINBKQDWLZCEIY-QHCPKHFHSA-N 437.588 4.931 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 1199787500 UTSDYOFXGZHVEO-LJQANCHMSA-N 434.323 4.875 30 10 IJEE C=CCCCC[C@@H](C)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1205531025 URUFOANGQLXDKM-XLIONFOSSA-N 426.386 4.980 30 10 IJEE N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(OCc3ccccc3)c(F)c2)cc1 1211229526 CHAABFCCIBLXIS-UHFFFAOYSA-N 436.508 4.630 30 10 IJEE C=CCN(C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)[C@@H](C)COC 1214671587 TWSYYHFNGXYPQG-ZDUSSCGKSA-N 425.407 4.606 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1230498373 CHHVJGXLWUJTLX-MRXNPFEDSA-N 441.247 4.864 30 10 IJEE CO[C@@H]1CC[C@@H](N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)C1 1255601359 IOCBZOXELCLRQO-NJYVYQBISA-N 437.565 4.523 30 10 IJEE CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)n(-c2ccc(C#N)cc2)n1 1272259813 FZJSQNXVUJGEBF-UHFFFAOYSA-N 441.535 4.571 30 10 IJEE C#C[C@H](NC(=O)C[C@H](C)CCc1ccc(I)cc1)c1ccc(F)cc1 1275431782 OAWWMIUAWNXAEG-QRWLVFNGSA-N 449.307 4.880 30 10 IJEE C#C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Br)cc1 1275464631 NYPBCMODBYPCJV-HXUWFJFHSA-N 435.277 4.597 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1ncc(CC)s1 1286321470 OUGNLGCLCMEYMY-UHFFFAOYSA-N 432.597 4.896 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OCC)c1ccccc1 1286365808 JWXQJRWTJCQQTM-RXVVDRJESA-N 434.609 4.979 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCC1(F)F 1286402837 YVTNRBYNDHLUSR-QGZVFWFLSA-N 447.327 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CC1CCC1 1286564428 VECNBMPZUYYUAT-YUMYIRISSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1cccc(C)c1 1286583264 QJDYPGQHMMLBAC-FGZHOGPDSA-N 426.605 4.987 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCSC(F)(F)F)CC1 1286663365 ARIAXFOWMQECTK-UHFFFAOYSA-N 442.507 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(C)(C)OC[C@@H]1C 1286665991 BHGKNFSHKSBEBH-KRWDZBQOSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286668664 STXSGWCSKMFOKV-SFHVURJKSA-N 435.538 4.929 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(F)(F)F 1286681321 LVWHRVNRYUBJIX-UHFFFAOYSA-N 434.304 4.791 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286694472 ULRZEFBUWQSSFG-HXUWFJFHSA-N 439.604 4.825 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CSCCS1)C1CC1 1286731834 GBWNFFINVRITDE-WBVHZDCISA-N 434.606 4.561 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N(C)C1CCN(CCC)CC1 1286794901 BYELKMHMXLVPSF-UHFFFAOYSA-N 437.632 4.859 30 10 IJEE Cc1ccc(F)c(-n2cc(O)c(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)n2)c1 1290781730 HMJBICRWTNKLNX-UHFFFAOYSA-N 443.438 4.645 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 1292236484 NNALWDACDABCAF-UHFFFAOYSA-N 433.352 4.526 30 10 IJEE COC1(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@@H](C)CC#N)CCC(C)CC1 1299805819 FZRDFZBHWGCSLM-CSKUQDPHSA-N 448.571 4.934 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCCN(C(C)(C)C)CC1 1300352421 KUNKXELXPUIKJS-UHFFFAOYSA-N 430.600 4.607 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1sccc1C 1300516117 ISFDHRYVOAJWPX-KRWDZBQOSA-N 434.634 4.817 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1300763415 VTKHENYHBLBLIS-LJQANCHMSA-N 429.659 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCCNC(=O)OC(C)(C)C 1300788987 TUULBZQOIBFEFO-HSZRJFAPSA-N 443.979 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]1CC 1300872289 AQDUCWGRFZJFKA-QTEQDKRBSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)[C@H]2C[C@@H](OCC)C23CCCC3)nnc1C(C)(C)C 1300896465 FQQGXFZGYHNLRT-PLACYPQZSA-N 430.637 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1301155273 LAUMZNLOQSEOGL-UHFFFAOYSA-N 437.613 4.916 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301198743 QDPUGGLHOJDCKU-MJGOQNOKSA-N 438.494 4.678 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SC)c1)C1CC1 1301313893 IQZBROZBWAQZEK-MRXNPFEDSA-N 439.560 4.877 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1CC 1301348908 CPULMGZCEKDOFP-PMACEKPBSA-N 439.579 4.672 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)C(C)C 1301406137 ONVRNNJSMOSNOF-AREMUKBSSA-N 445.567 4.728 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N1CCC(N(CC)CC)CC1 1301529784 PUJNMCIDAJBUEB-UHFFFAOYSA-N 437.632 4.859 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC=C(Br)C1 1301531314 IXQOAMRSOVXSDH-UHFFFAOYSA-N 431.378 4.579 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301531413 LRQKEOFKRHTNLO-WIYYLYMNSA-N 438.597 4.547 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 1307423711 LJUSAMOXNFVJPT-INIZCTEOSA-N 425.529 4.973 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 1307594497 FKOJLRGSCXWMIB-SIRSKZSMSA-N 442.551 4.661 30 10 IJEE C#CC[C@H](NC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1ccccc1 1312322321 PTNSOKUDFXIACK-QFIPXVFZSA-N 430.527 4.870 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1312534513 FRRXBHJCOALTOP-QUZZAMIASA-N 435.515 4.671 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1312676287 FIVSLXSVSGQTQC-QHCPKHFHSA-N 435.568 4.919 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(Oc3ccccc3F)nc2)c(C#N)c1C 1349989879 BWUGBISRQDUAOJ-UHFFFAOYSA-N 425.441 4.684 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C)c(C)n1)c1ccc2c(c1)OCCO2 1350583578 NVLDGRILLVDHRL-UHFFFAOYSA-N 430.504 4.881 30 10 IJEE C=CCn1cc(C(=O)Nc2cc(-c3ccc(CCCC)cc3)nn2-c2ccccc2)nn1 1351588021 JUEUNSLLSFSVHW-UHFFFAOYSA-N 426.524 4.912 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)COc2cccc(C(C)C)c2)c(C(=O)OCC)c1C 1353747135 ZUZLQFQODWCCMM-UHFFFAOYSA-N 445.537 4.717 30 10 IJEE C=CCCCC(=O)N[C@H](C(=O)OCC)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 1353757889 ZLEDVDZSNSZUAV-FQEVSTJZSA-N 437.462 4.585 30 10 IJEE Cc1cc(-c2csc(NC(=O)COc3ccc(C#N)c(Br)c3)n2)c(C)o1 1355353213 GNONLZAKHXBMPK-UHFFFAOYSA-N 432.299 4.672 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N1CCC(C)CC1 1358878216 SQHOSBSAUILKBM-PMACEKPBSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccsc1Br 1358895734 PUWFKWGZUQGLMW-INIZCTEOSA-N 443.414 4.784 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1358925808 RYUKNZUXDBPNRY-NRFANRHFSA-N 437.607 4.979 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(F)(F)F)cs1 1359002877 QGRLRSXRYDTIBY-UHFFFAOYSA-N 425.867 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C)c(C)s1 1359063955 HSZILKXGNLKOCX-QMHKHESXSA-N 439.560 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCCOC(F)F 1359073668 ZVMHRBXTACTHNS-XMMPIXPASA-N 446.542 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)Cc1ccsc1 1359102813 GAFRTOFXLBUQSR-OFNKIYASSA-N 438.597 4.579 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359124659 XILAJQUAOWXXQG-APWZRJJASA-N 425.335 4.592 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCCCC2)C1 1359129792 NCMCZMJYCLMEQG-UHFFFAOYSA-N 437.613 4.666 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@](C)(O)C1CCCCC1 1359258737 AIEWIXDJCORUCJ-HHHXNRCGSA-N 445.611 4.788 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCSC[C@@H]2c2ccccc2OC)cc1OC 1439094085 MHWRVZAWFIJWTE-ZOXUKVPXSA-N 439.577 4.989 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1OC 1441344207 UULDDRDEJLFBJH-MMQQXXMXSA-N 440.971 4.880 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2cc(Cl)ccc2c1=O 1458736177 TWDWSQQINDKZHN-BASYENTBSA-N 434.005 4.657 30 10 IJEE CC(C)N(CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)C(=O)OC(C)(C)C 1461063440 CGJCQCYTMBFHLZ-HNNXBMFYSA-N 427.467 4.592 30 10 IJEE CC(=O)c1ccc(Br)c(NC(=O)NCCSCc2ccccc2C#N)c1 1467189341 YQRAMXUCSPJGAQ-UHFFFAOYSA-N 432.343 4.578 30 10 IJEE C=CCn1c(SC[C@H](OC)[C@@H]2CCOC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472971169 NIDINHPQFLWPFJ-MSOLQXFVSA-N 442.606 4.763 30 10 IJEE C=CCc1cc(CN[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc(OC)c1O 1473953934 LWDHAXWNRIYVFF-NRFANRHFSA-N 444.531 4.817 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 1476429685 KTOXYJJNAYANDW-GOSISDBHSA-N 428.330 4.570 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1CCO[C@H](C)C1 1504097723 HOBSPAJBJCQDOH-IAGOWNOFSA-N 443.979 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCCC1 1507547631 PDQQLIPCVQMCIF-QGZVFWFLSA-N 432.037 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](C)CN1CCCCC1 1507766103 IMXWRAVFUPOFEM-NTKDMRAZSA-N 426.008 4.713 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1507779327 NEOVEYXEZQSEAP-AABGKKOBSA-N 445.405 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)CCc2ccc(O)cc2)nnc1C(C)(C)C 1507811523 RWEIYZRUEOKKLC-UZKOGDIHSA-N 426.605 4.720 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N1CCC(C)CC1 1507826463 OWKMWZYGFZNXPT-NRFANRHFSA-N 434.632 4.873 30 10 IJEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507869985 BCHIDFXJOXIUDP-HSZRJFAPSA-N 427.980 4.675 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCSCC(F)(F)F)CC1 1507889034 RZFOPGWWJQIMNU-UHFFFAOYSA-N 440.535 4.926 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(OC)C1 1507918868 JTWVXWFSZBOWEQ-UHFFFAOYSA-N 439.387 4.991 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1507948160 NXDIHXWNLWKJMA-IFMALSPDSA-N 445.007 4.742 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC1(CC(C)C)CC1 1507998482 BGOLATFUWLUHNH-UHFFFAOYSA-N 429.572 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@@H]1OC 1508011837 OLICFCHENACARY-CABCVRRESA-N 437.407 4.763 30 10 IJEE Cc1cccc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)c1 1510593942 FIEPRNNFINZENI-FXWJEBAPSA-N 439.579 4.751 30 10 IJEE N#Cc1ccc2c(c1)CCCN2C(=O)c1cc(Br)sc1Br 1522776630 BKNJQZZKIAGQPP-UHFFFAOYSA-N 426.133 4.738 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CC[C@H]2C)c1 1523499283 UMSNJYWTSZBQHX-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(C#N)c2Br)CCCN1C(=O)OC(C)(C)C 1529123332 AVIUDAFZNODIQA-FQEVSTJZSA-N 434.334 4.605 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 1531923141 LRWMMZZYVWQVJY-OXQOHEQNSA-N 433.390 4.552 30 10 IJEE N#CCCN(C(=O)CCC(=O)Nc1ccc(F)c(C(=O)c2ccccc2)c1)c1ccccc1 1532601670 CEMWPQOLNSNMPH-UHFFFAOYSA-N 443.478 4.722 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1)C(C)(C)C 1535510456 RLQHWMXHOLBFAC-LJQANCHMSA-N 432.442 4.501 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccnc(N2CC[C@@H](C)C2)c1 1536695445 VQNYHGFHODOMNF-OAHLLOKOSA-N 432.337 4.658 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@](C)(C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1 1537116160 MMGLAKJWZJYYRY-GOSISDBHSA-N 444.910 4.678 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)CCCN1C(=O)OC(C)(C)C 1538318055 GUVKMZXYQPWBEP-IQMFZBJNSA-N 434.964 4.798 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCCC[C@@H]1C 1538974103 RTSVBXDADPXEKR-SFTDATJTSA-N 430.600 4.524 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2(CCC)CC2)c1 1539045172 AMKAISLWAFTJQX-UHFFFAOYSA-N 433.600 4.647 30 10 IJEE C=C(C)c1cccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 1539121169 AYWZAEOBUZWKSS-GOSISDBHSA-N 432.307 4.870 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCSCC 1539304836 HIXZDVRGCDAZCU-GOSISDBHSA-N 426.655 4.738 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccco1)N1CCCCC1 1539357691 MXLNARYYAANQOC-OAQYLSRUSA-N 437.975 4.878 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N(C)CC1CCCC1 1539607350 CZQZIBSBUHUYMY-UHFFFAOYSA-N 433.394 4.955 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(Cl)nc1 1539661988 PCJJILMXYPOBGD-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCOC2(CCCCC2)C1 1539758193 JBHWRKFHYMYAPU-UHFFFAOYSA-N 438.616 4.586 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC(C)(C)C1 1539955445 XXRZNOUYFYUELD-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1539974517 CJOAVQMBDGNOSU-PZJWPPBQSA-N 426.536 4.724 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2C[C@H](F)C2)C1 1540884773 UMJHHDHNHWFGNK-SNRMKQJTSA-N 449.368 4.627 30 10 IJEE CCN(CC)Cc1cccc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 1544408649 HONKVVXCGRQCCT-UHFFFAOYSA-N 427.548 4.909 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)cc1F 1544843284 FSQXLONAZHCIBV-UHFFFAOYSA-N 435.361 4.862 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1)SC 1545772476 BMRCFOVMIWVIDF-HXUWFJFHSA-N 427.618 4.744 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 1546228649 GSMVKXWABDQCME-UHFFFAOYSA-N 441.684 4.907 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 1556473790 NFUNCOZRNKPISX-HXUWFJFHSA-N 426.358 4.887 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccns1 1557522952 YESHZHYEZYMGKN-HSZRJFAPSA-N 447.560 4.633 30 10 IJEE C=CCOc1ccc(CNC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1OC 1560324065 RKLRLBYEPMELJH-JOCHJYFZSA-N 445.003 4.855 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCCCC1 1562442045 VRGPTZCLLKUYOA-UHFFFAOYSA-N 433.524 4.529 30 10 IJEE C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1cccc(OC(F)(F)F)c1 1562613034 DSLGGBSZOHTZSU-GFCCVEGCSA-N 433.365 4.664 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)C1CCOCC1 1564206791 NLTYKASXDPSNIP-FCHUYYIVSA-N 430.520 4.504 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 1567225235 WMHDFHSADADARD-WOJBJXKFSA-N 429.948 4.632 30 10 IJEE C#C[C@H](CC)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1583570527 GEIJSMDPFJXWON-CYBMUJFWSA-N 429.364 4.540 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)s1 1584687526 YBSIETDJDPPLSK-CHWSQXEVSA-N 440.491 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CC)CCC1 1587600101 UUNVCQBXTCDJRO-OAHLLOKOSA-N 431.378 4.754 30 10 IJEE COc1cc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c(F)cc1C#N 1588231995 AJPPOWKARWQEPE-UHFFFAOYSA-N 449.507 4.998 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1588452281 PVCJGCPUAVJLFL-REWPJTCUSA-N 426.630 4.790 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCC)CC1CC1 1589578981 JEBAWZCAPXFGFL-LNRXMEIDSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1589687918 TUGJMUKEPFRVMJ-XUZZJYLKSA-N 426.605 4.937 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1594709039 GUGZEDWCQIHLIB-QFIPXVFZSA-N 437.632 4.868 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1nncn1CC 1595191386 RHHDDYXSPBLUBH-UHFFFAOYSA-N 449.559 4.651 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2cccc(OC)c2)CC1 1595191642 UVFOLZAOPYDLJL-UHFFFAOYSA-N 435.959 4.912 30 10 IJEE C#CCCCCCC(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1603433703 MXHJGZLDRCVJCY-NBGIEHNGSA-N 426.557 4.590 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)c1 1603447229 SHLPBSDCUUMGOQ-UHFFFAOYSA-N 432.476 4.947 30 10 IJEE C=C1CCC(C(=O)N2CCOC[C@@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1617381186 BNMKIKTUDBLARD-RTWAWAEBSA-N 440.584 4.889 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(I)cc(C)c3C)cc2n1 1617520690 PQRYCLIELOZJOH-UHFFFAOYSA-N 431.277 4.696 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1cc(-c2ccccc2)no1 1622268941 HLQKETGCLIWCSR-HNNXBMFYSA-N 449.454 4.604 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccccc2COCc2ccccc2)CC1 1622883878 CNRHHNIUTIVDQX-UHFFFAOYSA-N 444.510 4.768 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](C)[C@H]1C 1625234726 DBUSZFDWBLNHKU-JCEJCQQGSA-N 438.955 4.903 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CC3CCC3)[C@@H](C)c3ccccc3)ccc2c1=O 1628365866 VVWAKCFAWPPJRW-KRWDZBQOSA-N 433.577 4.875 30 10 IJEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CCCC1 1632776607 ZFYUOYIEVVUMEJ-UHFFFAOYSA-N 440.609 4.730 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 1633416407 BRRDGFNLJURIAI-HSZRJFAPSA-N 445.567 4.580 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2CC3(CCC3)C2)c1 1639686427 IBSBGOJNYBAWPT-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C=CC[C@@H]1N(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCCC1(C)C 1639766799 YKZQZKSFRPOSKP-AVRWGWEMSA-N 426.420 4.930 30 10 IJEE C=CCn1c(S[C@H](C(=O)OCC)C(C)C)nc2cc(-c3ccccc3)sc2c1=O 1640772233 RZAJPDVQVVVRLZ-SFHVURJKSA-N 428.579 4.991 30 10 IJEE C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1ccccc1F 1644389762 WKRNQZXOJQRNJW-UHFFFAOYSA-N 435.474 4.844 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 1645232757 YNJQUSHWAGPFFM-PKOBYXMFSA-N 435.996 4.532 30 10 IJEE CCc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1C#N 1652234824 GWTBUDVAQOCWPY-UHFFFAOYSA-N 438.119 4.663 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC(C)(C)Oc3ccccc32)n(Cc2ccc(F)cc2)c1C 1652911228 BOOVWZNEDDKTLQ-UHFFFAOYSA-N 446.526 4.780 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCC(Cc3ccc(F)c(F)c3)CC2)cc1C 1653390344 BGNUDNSJNDNHQX-UHFFFAOYSA-N 425.523 4.783 30 10 IJEE Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC[C@H](O)COc1ccccc1C#N 1654052701 BUJIBFVOVSDBJE-KUHUBIRLSA-N 427.957 4.734 30 10 IJEE Cc1ccc([C@@H]2CCC[C@H]2N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 1654328557 HOBFTAFXSQCXNN-AZUAARDMSA-N 433.371 4.586 30 10 IJEE CC(C)(C)c1nc(CN2CCN(c3c(C#N)cnc4c(Cl)cccc34)CC2)cs1 1655037875 FUHMSVJAEAWTTF-UHFFFAOYSA-N 425.989 4.836 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2cc(OC(F)F)ccc2Br)cc1 1657236756 BMMQQUYBZURISV-UHFFFAOYSA-N 426.261 4.970 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1OC 1658983122 LNALJBWUYZOCHX-UHFFFAOYSA-N 429.948 4.700 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C1 1659142166 CSOCVYALIGJDIR-JOCHJYFZSA-N 426.564 4.830 30 10 IJEE COc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 1664158398 GVUMXXLIKJSBPH-FXAWDEMLSA-N 442.560 4.600 30 10 IJEE C=CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)[C@H](C)COC 1665560252 MUMFJKIWVQXOMY-DYESRHJHSA-N 448.032 4.733 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc2ccccc2cc1C(=O)OC)c1ccc(F)c(F)c1 1668689339 LFZLZISNRWSGLN-NRFANRHFSA-N 431.460 4.500 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCN1C1CCCCCC1 1672214235 HWSMINGAQRSSLW-SFHVURJKSA-N 436.394 4.933 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@@H]3c3ccc(Br)cn3)cc2n1 1673220706 PDDMHUAFXIQAAT-LJQANCHMSA-N 426.318 4.749 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2F)C2CCCC2)cc1 1673392566 HAQUWXXNYWNYRQ-QFIPXVFZSA-N 445.560 4.685 30 10 IJEE C#CCN(C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)C1CSC1 1676972836 SKAAFPHFQHKFON-UHFFFAOYSA-N 435.318 4.963 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC)c(Br)cc1Br)c1ccccc1 1677150642 UMFWFJOSITYBME-AWEZNQCLSA-N 438.119 4.716 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc(OC)c1OC 1677966660 JKXWOPDPYKTSRE-LJQANCHMSA-N 443.975 4.554 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)c(F)c1 1678006654 KITTZLNKHMOPSS-WAIKUNEKSA-N 446.517 4.533 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 1680854857 HVHYLZPNAOVHBP-RBUKOAKNSA-N 441.494 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccnc(SC)c1 1689864786 IHKSGQRMMSICKH-HNNXBMFYSA-N 444.029 4.847 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC)CCC 1689888760 QIBSFZGVSMODIA-HXUWFJFHSA-N 431.625 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)CCCC 1690196694 UHYNIRKDTFUXQA-KBMIEXCESA-N 439.673 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(Cc2cccs2)C[C@H]2CCCO2)nnc1C(C)(C)C 1690253474 QZGCMSGMARUVTJ-ZVDOUQERSA-N 444.645 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)COC2 1690257920 YMZPGUAYGQXDOT-UHFFFAOYSA-N 442.361 4.517 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCC[C@H]1C 1690260758 WRBQEQCRPQQZSQ-IIBYNOLFSA-N 433.394 4.661 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@@H](C)C1 1690304905 QTSCXTJNFQODRU-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](OC)C2CC2)CC1 1690368736 JYODEYPLHHWRPT-LJQANCHMSA-N 431.378 4.597 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCCN2CCC(C)CC2)CC1 1690382502 QUKGXIUKYJWSGX-UHFFFAOYSA-N 441.595 4.665 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(O)CCC2)CC1 1690402968 WTEYCSWSUKZYNS-UHFFFAOYSA-N 449.368 4.554 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(C)C)C1)c1ccccc1 1690441696 FCENHDWSIYRPRR-FGZHOGPDSA-N 444.583 4.768 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1690463302 ZBVPHZINBGYVJY-HXUWFJFHSA-N 425.577 4.568 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690491660 GADDDYCYEOBSMD-MJGOQNOKSA-N 438.494 4.596 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1(N2CCSCC2)CCCC1 1690515602 PTPJBEUPAMHGBB-QFIPXVFZSA-N 439.673 4.804 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1Cc1ncccc1C)C1CC1 1690538762 PJUOAFGEUIWPHO-UHFFFAOYSA-N 442.336 4.753 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CCc1sccc1C 1690602230 KJMPKNWRJHFOQU-UHFFFAOYSA-N 430.581 4.583 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690748769 HBBYKSGWWBOTPO-OAQYLSRUSA-N 428.646 4.880 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccsc1)N(CC)CC)C1CC1 1695623250 FRKXHIRQROWTQY-QFIPXVFZSA-N 434.613 4.950 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CC2CC(C)(C)C2)cc1 1696133893 ANGGMAOXDDZOAP-ROUUACIJSA-N 425.577 4.991 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](C(C)C)C1 1705514765 IGUJWQIHXHRTED-QFIPXVFZSA-N 435.597 4.981 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)C1CCN(CCC)CC1 1705537340 BZZGMLKKSDJKPP-UHFFFAOYSA-N 425.646 4.603 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(CN(C)C)c1 1705606843 HUGGXIARRGIXTG-IBGZPJMESA-N 447.652 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(F)cc1 1705720776 QWWMYBZTKQCZTC-PUZFROQSSA-N 443.567 4.639 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1705722929 PGYKBRVOORRDFB-MJGOQNOKSA-N 426.561 4.706 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1705726114 QXZWFTFGLXWBHX-UHFFFAOYSA-N 448.590 4.722 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705785681 RYSZIHIPEYXIPL-DXBBTUNJSA-N 430.637 4.660 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1705807319 ZAAAAILOPWCTTR-AWEZNQCLSA-N 440.432 4.850 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705808480 OORDTWXFAJMURU-UHFFFAOYSA-N 434.510 4.739 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705813405 GJHPORRFNFUUSI-UHFFFAOYSA-N 429.012 4.660 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1csc(CC)n1 1705837540 FPPIVCMHAMYQDX-UHFFFAOYSA-N 435.553 4.807 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2cc3c(cc2C1)CCCC3)C(C)C 1705869162 NKUAXMYIAOBZII-SANMLTNESA-N 447.671 4.981 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1 1705877496 JHFMWPIEGNMPSU-UHFFFAOYSA-N 446.624 4.953 30 10 IJEE C[C@@H](CN1CCCC1)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1706816374 ALZISNSFCONFPA-ROUUACIJSA-N 447.052 4.694 30 10 IJEE CCOc1c(Cl)cc(Cn2c(CC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1710498331 BRHNGLGAUIFCQT-QHCPKHFHSA-N 445.995 4.716 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCN(C(C)C)C1 1722282230 PNLOPPAWXJGLOV-UFYCRDLUSA-N 439.673 4.710 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCC1CCC(OC)CC1 1722417580 MISYEUKCKDKBLT-UHFFFAOYSA-N 426.580 4.950 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC=CCC1 1722426846 HDBPZRPVCZBTSH-OAQYLSRUSA-N 436.600 4.597 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ccc(C)o1 1722450720 CAFCRGFKGHMKOZ-FQEVSTJZSA-N 438.597 4.939 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 1722451445 CBCTXYJFZCVXPT-GJZGRUSLSA-N 447.029 4.793 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 1722464091 VCMMBFNRRIDVJD-UHFFFAOYSA-N 442.988 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1OCCC1(C)C 1722469712 KARRBUUIHBIYCR-MGPUTAFESA-N 449.418 4.576 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722505183 IXQZKBMIPJJZDZ-LAUBAEHRSA-N 443.954 4.694 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722520970 VZPBUJZQQOMQCI-AWEZNQCLSA-N 447.406 4.593 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](OCC)C1 1722543993 CKLJWIQLVQFTBQ-LJQANCHMSA-N 442.947 4.875 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)c2ncc(C)s2)CC1 1722575979 FLNJHUDEJVIXFR-OAHLLOKOSA-N 438.557 4.824 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1722614936 WBUFHEXWPIJDHT-HSZRJFAPSA-N 426.568 4.946 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCCC2(CC2)C1 1722621877 FTJBQXKIBBMZAT-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(Oc2ccccc2F)c1 1722929989 AFMVPMQAPDRFGT-UHFFFAOYSA-N 448.546 4.981 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1731188041 DHPDKFNHONJYIX-PMACEKPBSA-N 446.521 4.763 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740572331 IIFQBBZFJLDUNJ-LJQANCHMSA-N 441.988 4.745 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)C(C)C 1740648157 FVUODSSZUBDCGX-UHFFFAOYSA-N 445.380 4.992 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740801938 HOQMLOWWWXKMME-WMZOPIPTSA-N 447.986 4.620 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)CC1 1740862858 HEOBJPPGDFINIT-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1C1CC1 1740891837 KORHSENCYUEAHY-FXAWDEMLSA-N 429.996 4.711 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740939568 XIHDHWYJCRQUBL-IRXDYDNUSA-N 426.483 4.854 30 10 IJEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)CCCO1 1742009868 DNQGLKKVVWCSED-NRFANRHFSA-N 433.478 4.555 30 10 IJEE Cc1cscc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1C 1742545660 CDUWXVMVMOCBEG-UHFFFAOYSA-N 433.537 4.685 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C)(C)CC1 1749140071 LNPOPUAJHJFIIZ-XMSQKQJNSA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@@H](SC)C1 1749193220 BFFLQFOQIRXCAR-LJQANCHMSA-N 449.665 4.691 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C 1749241660 QJJBERQHJARBLF-PMACEKPBSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C2CC2)C1 1749429219 JIPSHDXTFMRUNP-PMACEKPBSA-N 429.609 4.595 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1749473268 CWRRUCMGMMAQEB-GOSISDBHSA-N 446.437 4.698 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1749521849 TUFIFBXKPBLVHK-XMMPIXPASA-N 430.543 4.633 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1749591577 VSXBQCFEQMNHCW-ACIOBRDBSA-N 442.604 4.799 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1749746566 HTYXEKWKQWHQHY-MSOLQXFVSA-N 448.036 4.697 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1Cc1nc(C(C)C)cs1 1749827533 DJXRMGJEBXFYRY-UHFFFAOYSA-N 444.992 4.593 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccncc1 1750792903 BYSIKNZEKFPUSJ-FGZHOGPDSA-N 438.620 4.601 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@@H](c1cccs1)N1CCCC1 1751090463 DVBFESPJKILXED-PXNSSMCTSA-N 438.576 4.721 30 10 IJEE C[C@@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCCC2)CCO1 1752032161 GLJOKQKOHVNQQU-KNQAVFIVSA-N 437.588 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C1CC(C(C)(C)C)C1 1760222965 FLNRSTVWSNBTCK-UHFFFAOYSA-N 434.584 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(SC)CCOCC1 1760228327 BAPQRZWVFOOPBN-UHFFFAOYSA-N 426.630 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H](SC)C(C)(C)C 1760295864 KDBIIDNBPRTXAG-WMZHIEFXSA-N 432.584 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)cc1F 1760333189 BMBCPDGTENQOAH-GCJKJVERSA-N 439.510 4.544 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760424657 PGXMJFHVYHONST-UHFFFAOYSA-N 425.577 4.667 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1c(C)noc1C 1760455432 PLAAMZVJGPDOCS-UHFFFAOYSA-N 430.556 4.822 30 10 IJEE COC(=O)c1ccc(/C=C2\SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1 1772734061 BMTCBHNPPNEQQR-UTXXGPSKSA-N 429.501 4.985 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861189508 CJHAZDCVGOPJNV-JTHBVZDNSA-N 447.639 4.799 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1 1862476107 BVPSGOOHDQUKOU-QFIPXVFZSA-N 449.890 4.838 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862619769 BYVRXOIVHSEWNG-RNODOKPDSA-N 445.918 4.736 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(C)cc2)cc1 1862625898 PZSSJUUJVAFUSE-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C(C)C)cc1 1862631995 JMDOCAMWVDYXCR-QFIPXVFZSA-N 437.492 4.581 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862674307 VODRVWNAXCLJJE-NRFANRHFSA-N 437.492 4.717 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(OC)c2)cc1 1862686940 DBDKAESROVBQRL-JOCHJYFZSA-N 449.528 4.586 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(N(CC)CC)cc1 1862708236 PWBXWXARLUTMMH-GAJHUEQPSA-N 436.552 4.918 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCc1cnc[nH]1 1862713305 MGZXCZAAMDHLQZ-XMMPIXPASA-N 437.499 4.692 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc2cc[nH]c2c1 1862739148 RMHYFVZZPUISLO-NRFANRHFSA-N 433.464 4.845 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1C 1862887009 WPTUFFGTKIDCQM-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc4cccnc34)C2=O)c1 1862915899 MDYXURYZTKRZDL-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863243076 ITHODUMWZZMQRK-UHFFFAOYSA-N 448.523 4.599 30 10 IJEE COc1cccc(CCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c1 1870146644 BHUYGPIUTICNMK-UHFFFAOYSA-N 431.540 4.966 30 10 IJEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870454387 PJODXWUYRXIBDO-FGZHOGPDSA-N 438.612 4.923 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O3)CN(CCCOC(C)C)CO2 1871346225 PZAWMMJJZRXHBR-UCQKPKSFSA-N 436.552 4.644 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871403997 FXJHUCSCVUXLGQ-LRSOKBAUSA-N 444.443 4.925 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871459556 ZELWGWZEUSJHGX-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE CC(C)(C)c1ccc(C(=O)NCC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 1872775951 DYVROQNOBVWAFE-IBGZPJMESA-N 435.524 4.853 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccncc1 1874196683 WOUGTICAOLTODD-MFKUBSTISA-N 437.569 4.719 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccncc1 1874207446 LRWPXXNFPAXGCW-WSDLNYQXSA-N 428.359 4.577 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874265380 UTLDHDFXUUUVLV-FOKLQQMPSA-N 442.928 4.759 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1Cl 1874420901 KBLMKJGNXPYOEU-CIAFOILYSA-N 433.990 4.503 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccn1 1874421171 YTYIRISAKMEWGB-ZVHZXABRSA-N 448.577 4.577 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccccc1 1874436907 VENCGEXSIAHGOK-LPYMAVHISA-N 427.599 4.850 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2[C@H]2CCCO2)cc1 1874447887 OEYGBZSSEZMBOJ-JAMLUQCHSA-N 449.580 4.613 30 10 IJEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1 1874706351 CDBNJWOWRBZSPY-XCVCLJGOSA-N 446.455 4.590 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1OC 1875103646 ITTIEHFZZNWILR-FMIVXFBMSA-N 432.472 4.757 30 10 IJEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c([N+](=O)[O-])c2)c1C 1875169072 HXIBEMPPCVCULV-FNORWQNLSA-N 431.448 4.734 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c([N+](=O)[O-])c2)c2ccccc12 1875192628 UYEJHBUMPKUCSB-DDVUFSRBSA-N 447.443 4.737 30 10 IJEE CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@H](c2ccc(F)cc2)C1 1891125579 WZYVCZIWEBPHHX-KRWDZBQOSA-N 434.355 4.992 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(N(C)C(=O)OC(C)(C)C)CC(OC)C1 1922066984 YDNHEACAMMCVLZ-SMCIBBBJSA-N 432.605 4.542 30 10 IJEE Cc1c([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(Br)nn1C 2067851920 MIRBBCHKGBGREK-ZDUSSCGKSA-N 425.352 4.555 30 10 IJEE COC(=O)c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079196727 YCKJQEUHIGOSBW-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE N#Cc1c([C@H]2CCOC2)nn(Cc2ccc(C(F)(F)F)c(Cl)c2)c1Br 2080341707 YCGCICVIVATTEB-JTQLQIEISA-N 434.643 4.742 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1ccc(Br)cc1C#N 2105984218 WQOFYUFFWGFIRI-KRWDZBQOSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Nc2ncc(Br)cc2C#N)C1 2162310511 QHQFPIJDMPJPFH-OXQOHEQNSA-N 435.366 4.697 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)N(c2ccc(C#N)c(Br)c2)CCN1C(=O)OC(C)(C)C 2174816865 ITWFQGWMUMXGBJ-ABAIWWIYSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Nc1ccc(C#N)c(Br)c1F)C2 2193302945 MQMLHCQQBYTUGR-ZGMNHVEMSA-N 442.304 4.750 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2227464797 VQHBUSRQOAGYDY-FUHWJXTLSA-N 435.387 4.716 30 10 IJEE O=C(C#Cc1cccc(Cl)c1)[C@@H](O)c1scc(Br)c1Br 2239474705 XVNLEQUDDUNXJN-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE Brc1sc(C#C[C@]23C[C@H](CCN2)C3)c(Br)c1Br 2251018428 NBYUHEQVGMBSBB-OGXFKERWSA-N 439.998 4.529 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(OC)c1 2266734266 RFSIDXYKTQZXNA-AEFFLSMTSA-N 427.383 4.968 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268742735 PSSKDKTZJKMWSC-VWLOTQADSA-N 448.607 4.860 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2272850465 VLGLZTSAZMUPKX-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE N[C@@H](C#Cc1cccc(Br)c1)c1ccc(I)c(Cl)c1 2278794845 ZHIRQZJRPSDMBO-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](N)C#Cc1cccc(Br)c1 2278802585 QXTCQONVJZYCTM-DLBZAZTESA-N 441.435 4.553 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296216644 MLIRRNWRUMCSOE-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@@H](N)C#Cc1cccc(Br)c1 2296219981 TYUATXYIEOCEDE-UXHICEINSA-N 435.406 4.849 30 10 IJEE NCCO[C@]1(C#Cc2ccc(Br)cc2)CCCC[C@@H]1OCc1ccccc1 2296221180 GPIHRCJDLABGLB-GOTSBHOMSA-N 428.370 4.674 30 10 IJEE CC(C)[C@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccc(Br)cc1)C(F)(F)F 2296221795 LVLXUXJKGSQJKN-SFHVURJKSA-N 448.279 4.852 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(N)C#Cc2cccc(Br)c2)C1 2296270939 BNLDYLLMRYHVEK-SFGWALBWSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296272959 MWENCAUEXMHTCA-MJGOQNOKSA-N 448.382 4.758 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2296288009 BKFUVKGRRDCVPW-HXUWFJFHSA-N 429.358 4.786 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]12CC[C@@H](CN1C(=O)OC(C)(C)C)C2 2296292214 WIGQDSYEGIZQSS-LZNRXBQRSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CC=CC1 2296306310 FQVQTDNHDXDENM-IBGZPJMESA-N 433.390 4.640 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2305316644 NTJSQXCEURLEAC-BWKNWUBXSA-N 430.589 4.801 30 10 IJEE CCOc1cccc(C=C2Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccccc1OC 2314527153 HGZVQQSETKQOJR-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Cl)cc(Br)c1F 2315463490 RMSVVPGXEUMLJX-GOEBONIOSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCCC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319724891 XOEJECQVNNXQRM-SFHVURJKSA-N 438.418 4.546 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2COc2ccc(OC)cc2C(C)(C)C)cc1 2322284138 OFFXEVXWPGZIMG-UHFFFAOYSA-N 440.569 4.733 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OCCCO 2324067920 UCGMBEMPXFORFO-UHFFFAOYSA-N 427.497 4.948 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1 2324111219 YZMMFUVQORYTKA-UHFFFAOYSA-N 427.500 4.965 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc([N+](=O)[O-])c1OCCCO 2324538335 LTVBNQGGNULILT-UHFFFAOYSA-N 449.887 4.621 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)CCOc3ccccc3)c2)c(OC)c1 2325761754 MCJYXHWQRFMJMV-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)c1 2325792653 STLBGOJNAKUIKA-UHFFFAOYSA-N 442.103 4.831 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cccc(OCC)c1 2326763704 KFDLVLPVYGDBNO-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE CCOc1c(C=Nn2c(CCc3ccccc3Cl)nnc2SC)cccc1OC 2327915436 MMGOMFJCKQRVPV-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2328043131 BNRCUFLKBBBEQI-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE OCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2328098950 TVVAFEXCKXFHDT-UHFFFAOYSA-N 436.968 4.837 30 10 IJEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccncc2)c1 2329317895 IGQJUQSPYRELKJ-UHFFFAOYSA-N 433.512 4.704 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1N=Cc1cc(Br)ccc1O 2329920520 HTUNDCBTMIXODO-UHFFFAOYSA-N 447.358 4.710 30 10 IJEE C[C@@H]1C[C@@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339575524 XUTZEDKKYFJOOB-CYYVBXFOSA-N 443.397 4.784 30 10 IJEE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339577323 QZBSPNJIGROKKT-NRFANRHFSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339582945 SQJBRPLRFXVWJY-XMMPIXPASA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2342469852 MQHLJIHWJAFZEC-SFHVURJKSA-N 442.365 4.742 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CC(C)(C)CN(Cc3ccccc3)[C@@H]2C)n1 2362158506 UPOQJXDOMHANOE-OFNKIYASSA-N 449.448 4.790 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3c(Cl)cccc3Cl)n[nH]2)cc1 20908063 JHDOWCWKTYBWGD-SSDVNMTOSA-N 449.367 4.987 30 10 IJEE O=C1C[C@H](S/C(=N/c2ccccc2)NCCc2ccccc2)C(=O)N1c1ccc(F)cc1 59516360 FEJAFWGJYZPMQM-QFIPXVFZSA-N 447.535 4.711 30 10 IJEE C=CCn1c(=S)[nH]c2cc(C(=O)NCC3(c4ccc(F)cc4)CCCC3)ccc2c1=O 71960659 IIDWXKSRWNMNOZ-UHFFFAOYSA-N 437.540 4.626 30 10 IJEE CN/C(=N\c1cccc(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 105534865 AKSSZUNFXMSGMQ-OAHLLOKOSA-N 442.755 4.919 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(O)cc1 169960357 BRQGXDFSPXGDOB-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170027795 BXCZOMYLEPZZJV-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 170057125 NHLZJKMMERQFOS-LJQANCHMSA-N 434.319 4.997 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(F)cc2)cc1 170065715 IPNDYUWSWHMDPZ-NRFANRHFSA-N 427.435 4.793 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099973 YHTUWOMATDGDLO-QFIPXVFZSA-N 434.467 4.884 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC)c1 170112248 PFYGXQHZPYDOGE-JOCHJYFZSA-N 441.499 4.538 30 10 IJEE CC[C@@H](C)OC(=O)c1cccc(N2CC(=O)C(c3nc(-c4cccs4)cs3)=C2N)c1 170180990 YVSDSKMTQJMIQE-CYBMUJFWSA-N 439.562 4.544 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)c1 170236940 XUAMTWYIDYDOHF-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(F)cc1 170271159 HEEGWLOVBTYCOA-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(F)c2)o1 170299133 CCRYALMERXWKRQ-RCDICMHDSA-N 433.435 4.833 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(OC(C)C)cc1 170335514 KAVCEJHGTMXFBL-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1F)c1ccco1 170380940 FWTSVHJRBVEMDI-QFIPXVFZSA-N 432.451 4.802 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)cc1 170426187 JLSDJAJQDZJCBZ-SFHVURJKSA-N 435.398 4.719 30 10 IJEE COc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 170432201 WQBBVDQUYRFUDR-SFHVURJKSA-N 426.469 4.569 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC)c2)ccc1OC 170439218 UXOZMXVICUETHE-HSZRJFAPSA-N 439.508 4.618 30 10 IJEE N#Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(F)c1 237711883 WQWGOPGXJUNMIH-UHFFFAOYSA-N 427.439 4.748 30 10 IJEE N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1 247713060 LEIZFJHQCXYMOH-HUVFLSCGSA-N 431.536 4.781 30 10 IJEE Cc1c(Cl)cccc1N=C1SCCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 254742484 CZJMEODUBBVHSE-UHFFFAOYSA-N 448.013 4.825 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3s2)CC1 436362279 LNUSYMMWTVDEBT-RBBKRZOGSA-N 430.577 4.811 30 10 IJEE CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)o1 464896783 OOSOKLQSQGZXHF-DYESRHJHSA-N 428.554 4.533 30 10 IJEE C=CCC1(C(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)CCC1 479995919 SRVBZPDZEAXGIN-UHFFFAOYSA-N 426.454 4.568 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)o2)ccc1OC 526516107 NJRJSTNUSPSTDO-HSZRJFAPSA-N 430.460 4.924 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)c(OC)c1 526520671 IZHGNQOJAZYIPI-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE N#Cc1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(F)c(F)c3)C2=O)c1 526661073 RQTVYOKQMJATAY-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE C=CCOc1c(Br)cc(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1OCC 537634275 VTRFHNDXDCVTES-OAQYLSRUSA-N 448.357 4.692 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCc1coc(-c2ccc(C(=O)OC)cc2)n1 543863440 DCOVAWVFVGUESH-UHFFFAOYSA-N 446.532 4.789 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 549678012 PMAGAWFSUJXKHD-MRXNPFEDSA-N 429.565 4.775 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 562754690 GEALJEQRBDOUHH-FQEVSTJZSA-N 446.473 4.829 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 584320048 ZMJDBQCVFJRMFI-DEOSSOPVSA-N 440.551 4.640 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cc(C)cc(C)c2)c1 586250232 YVXDSWARNPRCBZ-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 591316471 SKLPNHLUNGOGIH-HNNXBMFYSA-N 439.493 4.713 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](CN4CCCCCC4)C3)cn2)cc1 609137240 BIOXKFZAISXHPK-OAQYLSRUSA-N 433.556 4.865 30 10 IJEE N#C[C@@H](NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccccc1Br 611565550 WLWLKPUMUDPKQA-OAHLLOKOSA-N 434.265 4.845 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NC 701299888 PFMISWYHVBHBRF-HUUCEWRRSA-N 433.337 4.717 30 10 IJEE C=C1CCC(C[C@@H](NC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 724611027 OVTWKJOTQKBGRV-BVAGGSTKSA-N 427.633 4.880 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)N(C)C(=S)N[C@@H]1c1csc(C2CC2)n1 731432401 UFPOJJBRZOJBRT-MRXNPFEDSA-N 448.411 4.644 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(CC)c1 733202512 SBWCUOYXACJVER-QFIPXVFZSA-N 433.577 4.849 30 10 IJEE COc1ccc(CNC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)cc1C#N 746873507 YJHWNAKAUJLZRB-UHFFFAOYSA-N 445.903 4.506 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)OCCC(C#N)(c2ccccc2)c2ccccc2)c1 762908256 LAFBUXLBLPBGIL-UHFFFAOYSA-N 433.529 4.537 30 10 IJEE Cc1cc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)ccc1NC(=O)c1cccs1 764308044 XVTDWGFZVVTHHX-UHFFFAOYSA-N 440.868 4.994 30 10 IJEE CON=Cc1ccc(C(=O)OCCCC(=O)Nc2c(C)cc(Br)cc2C)cc1 781649577 SFLJJQGNQODBGI-UHFFFAOYSA-N 447.329 4.622 30 10 IJEE N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1ccc(F)c(F)c1 786573111 VETAXHUSKWGWEX-VLHYRRCOSA-N 442.771 4.589 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NCCC)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 790485836 CFJSIIHNUJXBHL-QHCPKHFHSA-N 449.979 4.764 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(C)C)C2CC2)c1 1131277855 QIEQNGOUFSNFBR-QFIPXVFZSA-N 447.000 4.886 30 10 IJEE C=CC1(CC(=O)N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)CCCCC1 1136566831 CACARVCFLIHYAR-UHFFFAOYSA-N 426.582 4.972 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 1150675274 VAHSOORFVDIWHG-SFHVURJKSA-N 426.479 4.840 30 10 IJEE N#Cc1ccc(NC(=O)CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1Cl 1169603473 AIQZUARYANATNN-LJQANCHMSA-N 436.712 4.793 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)C(=O)OC 1177958368 GPTPIZJIYCNBFJ-NRFANRHFSA-N 448.519 4.547 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2cnc3ccccc3c2)cc1OC 1179537127 DSFINBJLIDRGOZ-UHFFFAOYSA-N 427.342 4.903 30 10 IJEE C=CCn1c(SCCc2cccc3c2OC(F)(F)O3)nnc1-c1ccccc1OC 1188121682 FUWCAXKVHONTEE-UHFFFAOYSA-N 431.464 4.796 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1 1197352765 XDVKAHCHUAKOSG-GOSISDBHSA-N 444.398 4.819 30 10 IJEE C#CCNC(=O)C1CCN(Cc2ccc(Cl)cc2Oc2ccc(Cl)c(F)c2)CC1 1205510404 ZXTVGLQQLKZUSM-UHFFFAOYSA-N 435.326 4.886 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 1206193958 BRPCJDAJQJBRJJ-HXUWFJFHSA-N 447.329 4.628 30 10 IJEE C=C(Br)CNC(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 1219437135 GIICFLGURCBBEK-UHFFFAOYSA-N 431.212 4.754 30 10 IJEE COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccc(Br)c(C#N)n1 1219696549 FOGLTZQFXZBVSM-DYVFJYSZSA-N 429.318 4.729 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1 1220417088 LXMVFVJDRAEAON-FGTMMUONSA-N 429.565 4.805 30 10 IJEE C#CC[C@H]1CCN(C(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1 1228393795 USFDBNCZCUHSSZ-CABCVRRESA-N 432.387 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccnc1Sc1ccc(Br)cc1 1270654992 DFVDYMCFTPNLCJ-KDOFPFPSSA-N 433.371 4.706 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1286499140 DPIYOSWADZFBRL-OALUTQOASA-N 445.032 4.608 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCc2ccc(Br)cc2C1 1286599978 GFRYKLMAKXSBTA-INIZCTEOSA-N 433.394 4.710 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnccn1 1286622909 TVGGFUWYEWTXRQ-UHFFFAOYSA-N 433.947 4.532 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C(CC)CC)no2)CC1 1286648483 DWHNQMMJMOAKSH-UHFFFAOYSA-N 446.555 4.825 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1286649414 TXMRAWSFQRFQAJ-RDGATRHJSA-N 438.616 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CC(F)C1 1286667529 SFKNJROZOVYIPT-UHFFFAOYSA-N 427.568 4.934 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCc2ccc(Br)cc2C1 1286687578 QLSUGAVIIIGTDH-SFHVURJKSA-N 445.405 4.854 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)[C@@H](C)CC 1286747936 RCDSAMCEMVTXHR-UUOWRZLLSA-N 435.597 4.868 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)s1 1286762902 PKPWHGOOSQPAMI-IBGZPJMESA-N 443.016 4.975 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCC1(O)CCC1 1289275341 AQVHKMXYKBUCHU-ROUUACIJSA-N 445.995 4.732 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccccc1 1289587023 PUCFFNKAZKCRAA-WTYVLRPYSA-N 432.954 4.509 30 10 IJEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)Cc1ccco1 1293804118 AXAMWEPXMZXYJN-RUZDIDTESA-N 445.523 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC1CCC(OC)CC1 1300293630 RDAKRHLFMFGERT-WWDZGPRUSA-N 445.405 4.761 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1300372676 JYEHYMKVQHXDQD-FQEVSTJZSA-N 430.980 4.565 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1CSC 1300395290 YPJFRIKFOIYYAE-ZDUSSCGKSA-N 425.421 4.514 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC(C)CC1 1300603700 XDTDKSPSLLIDGU-UHFFFAOYSA-N 444.627 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCO[C@@H]1CCCC[C@H]1C 1300907599 LLSLDLIDYNMCHX-TZIWHRDSSA-N 440.588 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300918701 FYACMNFENCAWJV-KDURUIRLSA-N 444.693 4.793 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1301177376 YXASGZBYFNUCHX-HSZRJFAPSA-N 427.524 4.539 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1c(C)noc1C 1301359194 GRJFYXUCLBNCMM-MRXNPFEDSA-N 436.585 4.946 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)c1ncc(C)s1 1302718783 AUYKVPMWFALOQQ-CVEARBPZSA-N 440.642 4.963 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3cccc(Cl)c3)C2=O)nc2cc(Cl)ccc2c1=O 1307242513 NNRBXSSWXRDBOT-SFHVURJKSA-N 446.359 4.787 30 10 IJEE C#Cc1cccc(NC(=O)N2CCc3cc(Br)c(Br)cc3C2)c1 1310006118 BTQIIOIVQYUXHI-UHFFFAOYSA-N 434.131 4.783 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1)c1ccccc1 1350144129 LFFNHDZSEAMTAX-HXUWFJFHSA-N 430.537 4.864 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C)Sc4ccc(Cl)cc43)cc2C1=O 1354803635 SHQWUPFOFWYSCP-CYBMUJFWSA-N 426.925 4.653 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)OCc2noc(-c3cccc(Cl)c3)n2)cc1OC 1355890019 GWVLBNAORGBWRP-CSKARUKUSA-N 426.856 4.720 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1358904535 GMEFLEOCRADKCP-ROUUACIJSA-N 430.980 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC(F)(F)CO1 1359109047 NQADYQDDKXVFQD-MRXNPFEDSA-N 441.320 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1359109488 DACSDDOWVMOUSR-KRWDZBQOSA-N 437.613 4.986 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1359119964 XZVMIAZXFQDZJT-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=C(C)COCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1 1359137552 SMHQANMYTWQLOY-QGZVFWFLSA-N 434.878 4.711 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1359160313 QYIABLFCAFICFL-TZIWHRDSSA-N 447.549 4.861 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](COC)C1 1359189702 SELHLKPXWZSIMS-UGKGYDQZSA-N 440.588 4.646 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCc1ncc(CC)s1 1359257918 AICCNVNCVXEDBP-HXUWFJFHSA-N 437.613 4.626 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN(C)C1CCCCC1 1359261730 UFPBAIBAKVQITE-HSZRJFAPSA-N 441.595 4.726 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1c(C)noc1C 1359275638 ZMVMLEZZKZASLB-UHFFFAOYSA-N 428.540 4.537 30 10 IJEE C=CCOc1cccc(NC(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)c1 1442172746 IBFFGZTXQDBBOV-OAHLLOKOSA-N 449.292 4.907 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)c3nn(-c4cccc(Cl)c4)cc3O)c2)nc1 1444605495 FZODMABBOVRJQB-UHFFFAOYSA-N 431.839 4.543 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1448938993 WQAPZNUMSJIDEI-NRFANRHFSA-N 432.545 4.686 30 10 IJEE C=CCCCCCCCNC(=O)c1cc(Br)nn1-c1ncccc1Cl 1460672274 INZFZKVVILUKLY-UHFFFAOYSA-N 425.758 4.940 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1OC 1461376504 AWEJUCPTZQQDEK-HYBUGGRVSA-N 446.950 4.893 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccccc1OCCC(N)=O)c1ccc(C(F)(F)F)cc1 1465322769 BDEIYKMSJAOWFG-QGZVFWFLSA-N 435.446 4.789 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3ccncn3)CC2)cc1 1465489055 GDZSTGJYMWGJOH-UHFFFAOYSA-N 429.480 4.561 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCc1cc(Cl)cc(Br)c1 1465782637 DAGXNRGWQNMSNV-UHFFFAOYSA-N 425.685 4.618 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1469389545 OXJLLCLNEPEKFE-OPYAIIAOSA-N 440.588 4.955 30 10 IJEE N#CCc1ccccc1S(=O)(=O)N1CC2(CCCC2)c2cc(Br)ccc21 1475086980 DBIKJTKDZSJDLO-UHFFFAOYSA-N 431.355 4.536 30 10 IJEE C[C@@H]1C[C@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](c2ccccc2)C1 1478416775 ACTDBZPQNRVKNJ-OEOAZWSVSA-N 427.552 4.730 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](OCC)C1 1507555263 KXFWLNVJXOCMOU-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1507559038 ZMPJSGQQUZRIQS-UFYCRDLUSA-N 442.991 4.738 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCCN1C1CCCCC1 1507643505 WEESJWIKJLVJOQ-UIOOFZCWSA-N 443.639 4.690 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1507798411 TWIMCMCNVIFZQE-GGILJOMBSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(COC)CCC1 1507815005 PPEXZXTYVZIRGJ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507818989 YRCZZMHOTGMGPS-REPLKXPHSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1507838212 MTIVVBQGSOEQQY-UHFFFAOYSA-N 437.975 4.711 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(F)cc(F)c1 1507838309 PRPIHQSQFCOOMY-UHFFFAOYSA-N 433.890 4.501 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1CC 1507838742 XMESNYICPLREHI-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCCC 1507917480 PLQQKFPISXQPHE-LJQANCHMSA-N 449.640 4.815 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1507925513 HLVYIVFIOUGSAM-AABGKKOBSA-N 431.625 4.984 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccccc1 1507927869 FSWZFGVPHXHBFA-REWPJTCUSA-N 431.584 4.628 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCCC[C@H]1C 1507974056 ROKJWUODEWAOML-GOSISDBHSA-N 432.012 4.884 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@H]1C(=C)C)C1CC1 1507989187 XFIUEOHXRHYLET-XLIONFOSSA-N 443.389 4.844 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC=CCC2)C1 1508116265 IOLIXPHAIZKXAL-FXAWDEMLSA-N 443.389 4.845 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)C[C@H]1CC 1508152641 PFCKKACVMNTPDG-GOEBONIOSA-N 438.439 4.590 30 10 IJEE CC(C)c1csc(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)[C@@H](C)CC#N)n1 1508887727 ASZXCPPNULZMNE-INIZCTEOSA-N 446.584 4.702 30 10 IJEE CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 1518118430 DWTBUIGYRUDDGI-UHFFFAOYSA-N 425.275 4.789 30 10 IJEE C[C@@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1519603981 AEHADPYOSQJEPY-GFCCVEGCSA-N 428.311 4.850 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1524759810 NFTNWSVMKJVIJN-LBPRGKRZSA-N 441.391 4.942 30 10 IJEE C#C[C@@H](NC(=O)CCCOc1ccc2c(c1)CCCC2)c1ccc(Br)cc1 1525054347 LZXHDAGBVUNLLA-JOCHJYFZSA-N 426.354 4.978 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 1526219602 HMLFPBOZDLSJQI-GKIWIXTESA-N 441.934 4.916 30 10 IJEE C=CCO[C@H]1CCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1526843799 SXAZLWNJLJKKKL-PXNSSMCTSA-N 434.305 4.512 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 1530077079 BDYHCEVREJOZEO-QGZVFWFLSA-N 434.517 4.571 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCN(c2ccccc2F)C1 1536695206 UCJFEJIXNHPMNG-HNNXBMFYSA-N 435.312 4.768 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccccc1 1537448474 VALOSSUJPWQVMJ-SSEXGKCCSA-N 434.546 4.849 30 10 IJEE C#CCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)[C@@H]1CCCc2ccccc21 1538322020 ANKYROHCHOSJNA-HSZRJFAPSA-N 429.520 4.607 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C3(S(=O)(=O)c4cc(C)ccc4C)CCCC3)cc21 1538658791 PBPHHQPZAREFJE-UHFFFAOYSA-N 437.565 4.564 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1538992483 RWULCDXATMGOCA-UWJYYQICSA-N 444.645 4.978 30 10 IJEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC(C)C)C1CCCC1 1539051497 CKHVNAGKBPPNQS-UHFFFAOYSA-N 442.629 4.557 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]1C1CCC1 1539104861 QWMIHWSHFKTJJS-LJQANCHMSA-N 443.389 4.899 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(OC)C1CC1 1539147518 AWGRXCCIFHNPOX-UZUQRXQVSA-N 430.980 4.573 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(COC)c1 1539350575 QKWSFXKDVGRDBF-SFHVURJKSA-N 434.609 4.786 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H](c1ccsc1)N(C)C 1539384979 RIAVPVBDSOGCGS-GCJKJVERSA-N 439.604 4.935 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C)CC1 1539622080 VKOGCVQMPAGPCL-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CN(C)C(C)C)CC1 1539924339 SRQPVPMUEHPHGP-UHFFFAOYSA-N 444.693 4.793 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCO[C@H](C)C1 1540153968 OMYOARSAJUDPBP-HZPDHXFCSA-N 449.368 4.840 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](n4cc(C)cn4)C3)nnc2C(C)(C)C)cc1 1540878989 OJFJMGUHAXQLCA-OAQYLSRUSA-N 434.588 4.535 30 10 IJEE C[C@@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCSC1)c1nccs1 1541827864 DFJHSMGAWANUDH-WMZOPIPTSA-N 438.626 4.656 30 10 IJEE CC1(C)CC(Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1541997405 DRCKCMGLJKCTOR-FQEVSTJZSA-N 432.341 4.586 30 10 IJEE C[C@@H]1CCc2[nH]nc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2C1 1543189620 AWLVUKMZAXVCCE-LLVKDONJSA-N 445.470 4.725 30 10 IJEE CC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1543837262 HMQZMFMKXCAKSV-MMPATGFWSA-N 434.632 4.952 30 10 IJEE COCc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)o1 1555308127 AWTGRCDLEVDLEB-IBGZPJMESA-N 441.482 4.943 30 10 IJEE COc1cc(NCc2cn(CCC#N)nc2-c2ccncc2)c(Cl)cc1Br 1560542485 HKYIQFIEQAIKBF-UHFFFAOYSA-N 446.736 4.895 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F 1562604650 BLIILCDSHYJZOD-GOSISDBHSA-N 425.414 4.962 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)c1ccccc1 1562944913 HZXHTIAZVQLOIK-GOSISDBHSA-N 445.361 4.510 30 10 IJEE CCCc1c(NC(=O)Nc2cc(C(=O)OC(C)(C)C)ccn2)cnn1-c1cccc(C#N)c1 1563008471 AMNWZGUDZUGVDP-UHFFFAOYSA-N 446.511 4.691 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NC3CCC(c4ccc(F)cc4)CC3)CC2)c(Cl)c1 1564538503 HTXBHUVQAHQMGY-UHFFFAOYSA-N 440.950 4.909 30 10 IJEE C=CCCCCCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1564727461 SGKKPCCZVMJGSU-IRXDYDNUSA-N 435.531 4.858 30 10 IJEE C#C[C@H](NC(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C)c1ccc(Cl)cc1 1564996828 KLFMRNFYWXPLLT-NRFANRHFSA-N 428.960 4.942 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)n1 1566826326 FUAFUOMJBOKQTO-NRFANRHFSA-N 437.906 4.530 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC)C(C)(C)C 1584732853 HAPPHRRRSZVBFX-NMVJMZGASA-N 432.564 4.652 30 10 IJEE Cc1nc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)nn1-c1c(Cl)cccc1Cl 1585268968 DHOIPFROAQNWQC-GOSISDBHSA-N 426.307 4.562 30 10 IJEE C=CCOc1ccc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 1587057798 QYOVVLITCBMFBC-UHFFFAOYSA-N 443.366 4.996 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1587754583 HQRZKDLQAOQURP-XMMPIXPASA-N 429.568 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OCC 1589259021 IERWFCDFEHZFDC-RQNQAMLKSA-N 436.600 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N(C)CCc1cccs1 1589557207 HCBGLYCJYRXMFS-QPPBQGQZSA-N 436.625 4.785 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CCC(F)(F)F 1589569926 SDRGXCQLAJZHHE-YLJYHZDGSA-N 438.494 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCOC1 1589615871 VFTYGWAYZKNYFI-HXUWFJFHSA-N 436.556 4.946 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1594408009 AXUHSSVDZZQFLW-UHFFFAOYSA-N 434.506 4.760 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1594497494 IBJHZEBFTKKONN-DHIUTWEWSA-N 438.616 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCC2)CC1 1594528543 JZGRLQFPRIEEAD-UHFFFAOYSA-N 437.632 4.696 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)S[C@@H](C)C1)c1ccccc1 1594552593 PBOUFIPGWAENIJ-JAXLGGSGSA-N 433.625 4.954 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCC1(F)F 1595260012 FTJQKWDAANTPDG-RBUKOAKNSA-N 434.531 4.826 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1613137646 FVAJMGMATSHHNA-WZONZLPQSA-N 437.588 4.526 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 1616399155 KLEJIVOXGPYIAE-UHFFFAOYSA-N 431.414 4.747 30 10 IJEE CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C#N)CC2)c1OC(F)F 1616435900 AGPYRDCHFYERTF-UHFFFAOYSA-N 447.530 4.655 30 10 IJEE CC[C@@H](c1ccc(F)cc1)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 1620555410 GDOIGYJDSORKTE-BWKNWUBXSA-N 436.575 4.538 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc(F)c1C(=O)OC)c1ccc(C(F)(F)F)cc1 1621949606 SESCESIMGHOBAN-MRXNPFEDSA-N 445.434 4.617 30 10 IJEE Cc1nc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)nc2ccccc12 1624687391 DWDXNDHGUGINLL-UHFFFAOYSA-N 439.523 4.615 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2sccc2NC(=O)c2ccc(Br)cc2)C1 1630864366 MGRQVUVIVQVLJX-CQSZACIVSA-N 431.355 4.638 30 10 IJEE C#CCN(CC(=O)NC(CCc1ccccc1)CCc1ccccc1)C(=O)OC(C)(C)C 1631663207 WAGWGWOHAKHGOZ-UHFFFAOYSA-N 434.580 4.607 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 1633586038 XOPYXJCCPNFKHR-GHTZIAJQSA-N 431.577 4.743 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)CCOc3ccccc3C(C)(C)C)n[nH]2)c1C 1634308203 WLJZKVFTLCGAPH-UHFFFAOYSA-N 435.572 4.525 30 10 IJEE C=CCc1cc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc(OC)c1OC 1635406158 OLHDOHFLKDTIBW-UHFFFAOYSA-N 439.943 4.625 30 10 IJEE C=CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)OCC 1638326705 WAQFSZAXDUTQOJ-KRWDZBQOSA-N 434.901 4.637 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1640186232 DEHHDMLVLWVEFS-UZTOHYMASA-N 430.548 4.566 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(SC)c(Br)c3)n[nH]2)c1C 1642359058 TZBBLCSXPBTKLK-UHFFFAOYSA-N 446.374 4.813 30 10 IJEE C[C@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N(CCC#N)c1ccccc1 1642829516 DZFGFXKKJMOVPC-BTYIYWSLSA-N 444.348 4.964 30 10 IJEE N#CC(CCn1c(=O)ncn1-c1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1 1652041027 DSQDOJULOBYKCE-UHFFFAOYSA-N 448.448 4.953 30 10 IJEE Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)o1 1654288045 ALSRVYSXGZSAAR-MRXNPFEDSA-N 441.322 4.667 30 10 IJEE C#CCN(Cc1ccc(N(C)C(C)C)nc1)[C@H]1CCOc2ccc(Br)cc21 1663979454 JLVSBMZDGIRNBE-FQEVSTJZSA-N 428.374 4.648 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(I)s1)c1ccccc1 1665802832 MSDUIOVVDIQNPK-CQSZACIVSA-N 447.363 4.729 30 10 IJEE C=C(C)CS(=O)(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1666229922 PWDJYLZEALRLPW-UHFFFAOYSA-N 428.323 4.718 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1666575054 KWCDFUXJRYLZLA-UHFFFAOYSA-N 436.434 4.813 30 10 IJEE Cc1cc(NC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)c(C#N)cc1N(C)C 1670675185 AYVVSBMYAGGKGF-RTBURBONSA-N 433.600 4.732 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 1673393335 NQRDLTFDNFBDLC-DEOSSOPVSA-N 449.576 4.599 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl)C(C)C 1674145958 WDLTUPOLMHTHTQ-MSOLQXFVSA-N 426.388 4.815 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@H]1CCC(C)(C)CO1 1676408490 IGXHEUVFNCHTJK-QGZVFWFLSA-N 427.358 4.881 30 10 IJEE C=C(C)COCCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1679160010 XQURHUFRMABEGQ-UHFFFAOYSA-N 437.855 4.572 30 10 IJEE C#CCN(C(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1)[C@@H]1CCCc2ccccc21 1680414160 ZKZIGSJUHSQEFS-RUZDIDTESA-N 445.563 4.840 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1683980195 WEOFNYCZLADJGZ-BHIFYINESA-N 429.605 4.947 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CC)CCOCC1 1689840440 ZJTFDXXHNNQWAY-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSC[C@@H]1C 1690163831 SDMPKPVAADHROS-ZDUSSCGKSA-N 427.426 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@H](C)C1 1690196458 LABDUUNOKKIMLQ-KDYSTLNUSA-N 433.644 4.967 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCCOCCC(C)C 1690211018 QQCFWCQGMMLUOC-AREMUKBSSA-N 433.600 4.726 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H]1C 1690221978 FYOZLBJIECVWIC-GXSJLCMTSA-N 446.212 4.912 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1690273126 HXHQRMGFRNMBOS-UTKZUKDTSA-N 448.398 4.743 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1690442563 WAJIHQFAKUJOGC-NNWRFLSQSA-N 444.645 4.555 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1690481857 RPJGGKLNHHFLIP-UHFFFAOYSA-N 426.561 4.577 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1CC)C1CC1 1690538613 KQKSXGABBYDSBG-UHFFFAOYSA-N 426.362 4.801 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(CC)CCC1 1690615318 AIVSFOPDJDIOJT-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N 1698329326 GQBFMRBWMBIHMZ-ZDUSSCGKSA-N 442.416 4.901 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccccc1F 1705525779 VBCMJSWZGWLWSJ-UHFFFAOYSA-N 444.352 4.625 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(CN(C)C)c1 1705606844 HUGGXIARRGIXTG-LJQANCHMSA-N 447.652 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN(C)C 1705668228 HFLBODDKXGPCPE-HFZDXXHNSA-N 437.632 4.615 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(F)(F)CC1 1705708332 AZYZJXODEBVPOP-DENIHFKCSA-N 446.542 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccccc2OC)C1 1705793245 QMGMUUAPOWECCC-FQEVSTJZSA-N 431.584 4.869 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(C)no2)C1)c1ccccc1 1705797478 XCKLVKVDQDRVIF-YADHBBJMSA-N 434.588 4.912 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N(CC)CC)C1CC1 1705850139 IMFQEZUTYDTSFS-INIZCTEOSA-N 432.410 4.593 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CC=C(C(F)(F)F)CC2)cc1 1705910265 XEYKCTJRDSNASA-UHFFFAOYSA-N 441.457 4.652 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)N[C@@H](C)c2ccccc2)o1 1707353883 GUKFDJKJMKRVDZ-IBGZPJMESA-N 432.572 4.716 30 10 IJEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1712727109 BAFSLNHHZSEHOB-JXXFODFXSA-N 439.610 4.596 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCCN1CCC 1722476399 TWXAFOFYVKBAKX-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCOC 1722481226 ZTPUFWPWMWMAOX-CYBMUJFWSA-N 439.423 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@@H](C)CC 1722503430 KZMLFKMIYWKRSG-XZOYJPPVSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1oc(CC)nc1C 1722504455 HZRDVCKSPMGBQJ-UHFFFAOYSA-N 431.487 4.856 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722535198 BGKYWFIARMTONW-NRFANRHFSA-N 430.543 4.528 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCCCCOC)CC1 1722576393 MYNMEAKWTRBJSQ-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2csc(C(C)C)n2)CC1 1722580451 SEUCBXFGDKBSMY-UHFFFAOYSA-N 442.658 4.859 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1722587851 CDQRDZGGTHWMRN-OAQYLSRUSA-N 447.023 4.755 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722605100 VMHJNDMFAVIHSI-FQEVSTJZSA-N 439.007 4.681 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC1CCOCC1 1722737456 HIKCYSLCMXPHON-UHFFFAOYSA-N 439.629 4.609 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)o1 1727978049 IBUKQTUDSCLKSI-QZTJIDSGSA-N 448.571 4.651 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SCC)c1 1740601603 XFFSTSGSGMAXKM-INIZCTEOSA-N 441.988 4.696 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1cn(CCCCC)nc1C 1740666430 PLFVPUIDDJBUHV-UHFFFAOYSA-N 441.583 4.696 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](CN(CC)CC)C1 1740740550 FUTIITZRRHKFST-IBGZPJMESA-N 446.437 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1740759716 LAWCTNNDIBAFNV-MDRHQERFSA-N 429.634 4.630 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCCn2ccnc2C)CC1 1740820775 QOGBZILCCQFVLW-UHFFFAOYSA-N 440.979 4.749 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CSCCS2)CC1 1740840876 CTDMLJFLHMGXBL-NRFANRHFSA-N 444.670 4.725 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 1740853554 FZXVKUUMCRFNBZ-QNWVGRARSA-N 437.632 4.845 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740872391 IHUPLGMFOIIZIS-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740923420 LRZNWNKQAFBHEY-MRXNPFEDSA-N 431.606 4.713 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)C(C)C 1740927126 RHUKBRTVAOPLMA-JTHBVZDNSA-N 441.664 4.663 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740943852 BMEDHHHGLCDTOF-MRXNPFEDSA-N 445.995 4.914 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1740998809 QZZSEMJEWVBWQC-QGZVFWFLSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1740999614 KSYWGNRJKFPMAL-GOSISDBHSA-N 441.988 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1nnc(C(C)(C)C)s1 1748687494 LBAUETOQTLRURD-INIZCTEOSA-N 440.642 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(Cl)cc1F 1749163295 GBYWNUNTGAXGIO-UHFFFAOYSA-N 438.938 4.760 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](c2cccnc2)C(C)C)CC1 1749311170 HFPBFPOZKLAHGN-QHCPKHFHSA-N 435.547 4.987 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)c1ccccc1 1749382641 NWRFLTZVHWBTHH-OFNKIYASSA-N 435.616 4.504 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1749414229 CHXFNIPTVHDJKY-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccc(SC)cc1 1749551347 XBCUHHBGJMBTTI-UHFFFAOYSA-N 448.621 4.954 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749552857 BZVCLGZUTYGGDH-DCLXLUIPSA-N 443.661 4.547 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nc(C)cs1 1749590157 QSPGPWHKLWZNMD-QFBILLFUSA-N 427.574 4.526 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749745013 TWIXMVIECJKBBR-CBQOVEMMSA-N 444.645 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)C(F)(F)F 1760097495 GASBLHOTILYPRO-CVEARBPZSA-N 438.494 4.863 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760355303 FDHZQISYONHFQM-RUZDIDTESA-N 437.588 4.661 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCO[C@@H](C)C2)CC1 1760384014 HJHBLQOYLSMVRN-HOTGVXAUSA-N 449.368 4.818 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760427333 XFSIOZYKEHLSCF-LJQANCHMSA-N 445.007 4.653 30 10 IJEE C=CCCCCn1c(N2CCS[C@H](C)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760430873 WVIRBODHYYRPNT-MKXGPGLRSA-N 449.665 4.735 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccco1 1760447064 IUVTZJJZGYFVPF-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@]1(C)CCCS1 1760479374 MUCSFVCTJUJWQL-DEOSSOPVSA-N 430.581 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1cccc(NC(=O)C2CCC2)c1 1760491349 CUUIJWXYYLBADJ-UHFFFAOYSA-N 431.540 4.812 30 10 IJEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1765197637 DEVQONHDQIWOPY-YKSBVNFPSA-N 444.583 4.800 30 10 IJEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 1767984558 AJKAICNNSVMEDT-FQEVSTJZSA-N 437.569 4.557 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)C1 1770504342 HTCXCYBIGNLFOZ-IBGZPJMESA-N 438.626 4.660 30 10 IJEE CS[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1771399517 DKSVHJOIFRZXKO-YLJYHZDGSA-N 437.617 4.504 30 10 IJEE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747778 OWVFBDNBCQEPEV-UHFFFAOYSA-N 439.859 4.949 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862392146 QNCRSDBVGFKZOX-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862452691 IOZVXDPGMVWZMM-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(O)c1 1862507373 JXMRHTJQDKFNRT-QFIPXVFZSA-N 441.499 4.625 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)cc1F 1862639340 WDSRUESSEFHGHC-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC(C)C)ccc1OC(C)C 1862682869 DVERLNQWIVCLBD-QFIPXVFZSA-N 441.499 4.856 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3ccc(F)cc3F)C2=O)cc1 1862945652 GDVOOGXZJDBMNR-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2c[nH]c3ccccc23)C1=O 1863817086 RQRBOMOEKGFUNL-UHFFFAOYSA-N 438.616 4.540 30 10 IJEE CN(C)c1ccc(N(C(=O)c2cccc(C#N)c2)C2CCN(Cc3ccccc3)CC2)cc1 1865855021 WKDBVLZKHWIETG-UHFFFAOYSA-N 438.575 4.936 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 1870141301 KLLVQFNDOANBDI-CMDGGOBGSA-N 444.495 4.946 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CCc2ccccc2C)cc1 1870151987 VVRUNZBCDVVINR-UHFFFAOYSA-N 431.540 4.978 30 10 IJEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CSCc1ccccc1 1870175264 JYNUPNHGRXCKJF-UHFFFAOYSA-N 445.544 4.696 30 10 IJEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870809590 KYHKNKSSJGQZTK-UHFFFAOYSA-N 433.508 4.853 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1cccc(Cl)c1C 1870843966 FHSRYAAEVURLOY-UHFFFAOYSA-N 432.948 4.720 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1cccc(C)c1 1871237167 GJTHCNLABGISQQ-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4OC)ccc3C2=O)cc1 1871370314 KGQGDTJQNKUFNL-OYKKKHCWSA-N 430.456 4.858 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)ccc3C2=O)c1 1871372499 VPLUWZHTYSKQFP-UUYOSTAYSA-N 431.400 4.747 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)c1 1871374729 XFQIVXCKSHTHSV-UUYOSTAYSA-N 429.428 4.976 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)o1 1871439247 PCURPSPIXBTMAQ-NHDPSOOVSA-N 449.415 4.868 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 1871450912 VDWMPVZXKLNIQU-GEWRUKCFSA-N 444.443 4.925 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CC 1872114685 NEFMMIWEDYJNOQ-MRXNPFEDSA-N 440.915 4.694 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872512804 AXEKNLZAYUXNRP-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE N#C[C@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2c[nH]c3ccccc23)cs1 1872777434 NLJRRWNOIBCRSA-XTKXOIQPSA-N 427.485 4.952 30 10 IJEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1 1872786717 QHVWEWMKHPPNEW-SFTDATJTSA-N 443.572 4.960 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCC)c2)=C(c2cccc(Cl)c2Cl)C1=O 1873341790 RESURFYXERCAHJ-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3CCC(C)CC3)ncnc2n1CCCOC 1873588417 BHRCBAOTHZBOHR-UHFFFAOYSA-N 443.636 4.794 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874259075 MTXUCUASWKIAAG-BUVRLJJBSA-N 438.553 4.892 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc[nH]1 1874314379 QDEHYNZBOVOPRW-CVKSISIWSA-N 435.528 4.714 30 10 IJEE CC(C)c1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCCCO)cc1 1874318107 BLUJSVGUTFPEOD-XIEYBQDHSA-N 438.597 4.770 30 10 IJEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874390669 ZBAXVWIYCRICLX-BUVRLJJBSA-N 440.569 4.587 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874417194 DNSWGNGGQBWVPS-BUVRLJJBSA-N 445.504 4.657 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874419889 JXSMGKXVXDLOQK-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cccc(C)c1 1874458304 GNLJTUWFTRJHNA-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE O=C(/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc([N+](=O)[O-])cc1 1874575617 XEIUDUMEZZWFDG-SDNWHVSQSA-N 427.416 4.719 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)cc1OC 1874587981 OEIGNNUZAQUCKH-BQYQJAHWSA-N 433.298 4.522 30 10 IJEE C=C[C@@]1(Oc2cc(Br)nc(CCC)n2)CCCN(C(=O)OC(C)(C)C)C1 1881882004 JFPJYBIRMCRBHJ-LJQANCHMSA-N 426.355 4.526 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1 1891255907 XRKCPAJANSIUTL-IBGZPJMESA-N 446.576 4.582 30 10 IJEE Cc1nsc(C(=O)Nc2ccc(Br)c(C#N)c2)c1NC(=O)OC(C)(C)C 1963649442 VGPJODJALDYMGX-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3cc(Br)c(C#N)cc3F)CC2)CC1 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O=C1C(=Cc2ccc(N3CCOCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 2294002110 MFOLYMFHYVBCPJ-UHFFFAOYSA-N 445.544 4.920 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296268718 IENHBUCFMOKIMX-BJLQDIEVSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@@H](O)C#Cc2ccc(Br)cc2)C1 2296271447 DOUXBOPNYVOSTR-JLMWRMLUSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)NCCC1([C@H](N)C#Cc2ccc(Br)cc2)CCCCC1 2296299692 YIVYPWGOLWXCLQ-LJQANCHMSA-N 435.406 4.993 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2296300785 MMLCOILXNOPHRQ-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C 2296311570 YLABCRCHZDPROO-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CCc1ccc(NC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1 2297378537 HKBQAIWLKACTTC-UHFFFAOYSA-N 442.537 4.936 30 10 IJEE COc1ccccc1N=C1Sc2nc3cc4c(cc3cc2CN1C[C@@H]1CCCO1)OCO4 2297706574 RHIQQMFTEZXEHX-KRWDZBQOSA-N 449.532 4.747 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 2314028195 GSQJZSFELNITQS-RBUKOAKNSA-N 445.560 4.974 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 2321511730 OVURCWIHYVZJLL-VQTJNVASSA-N 445.560 4.655 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O 2322691854 KRWKPEWOENVUHT-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE Cc1cc(OC(=O)c2ccncc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2322828293 OAWXYMPWARTNHO-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3cc(C)ccc3OC)ccc2OC)o1 2323176580 OHEGWDOKQAFMPM-UHFFFAOYSA-N 436.460 4.867 30 10 IJEE CCCOC(=O)COc1cc(C=CC(=O)c2ccc(OCC)cc2OCC)ccc1OC 2323283590 OLZPVWHNHCQHGY-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)C(=Cc1cccnc1)O2 2323302478 LKVBRIHCCYNKRW-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2323681356 QMCXXYCKKWBBRW-UHFFFAOYSA-N 444.439 4.714 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323790940 VYGQKTPDHDQBQQ-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE C=CCOc1c(Br)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OC 2324023777 AKFGLCNNOHTVCE-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1nccs1 2324195041 SXJXPCYOYNPLOA-UHFFFAOYSA-N 426.469 4.595 30 10 IJEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324900352 OJILQOJVMIKKGJ-UHFFFAOYSA-N 433.460 4.929 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325565381 NKFJCKJJYALEAN-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1C 2325738587 QSJHTAQOXJYGFE-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccc[nH]1 2326461122 MRAFPTFJWJQSEQ-UHFFFAOYSA-N 445.548 4.925 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cn(C)c2ccccc12 2326766561 AGUSOHJFKBNIBH-UHFFFAOYSA-N 449.580 4.762 30 10 IJEE CCn1c(C)c(C=Nn2cnnc2SCc2ccc(C(=O)OC)cc2)c2ccccc21 2326781070 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O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 2331441080 VTIJVGOZDXXUQY-UHFFFAOYSA-N 435.363 4.578 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OC 2331726398 FHWFWWQHOJCFNN-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE N#Cc1nc(-c2cccs2)oc1NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2331938216 QPYIEHRACMRGKF-UHFFFAOYSA-N 443.488 4.738 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339577180 PQMYHHXZJZEAKK-GOSISDBHSA-N 443.397 4.608 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(Cc3ccc(Br)cc3C#N)C[C@@H]21 2361312445 SCQMXHSVZQFUFX-KXBFYZLASA-N 434.378 4.542 30 10 IJEE CC(C)(C)C#CC[C@@H](OCCCN)c1sc(Cl)cc1I 2366650469 OAGKSNUOPRIYLI-GFCCVEGCSA-N 425.763 4.852 30 10 IJEE COc1ccc(C#N)c(OCc2cc(I)ccc2Br)c1 2367519559 JYIDFORFBUYKOA-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE Cc1cc(CN[C@@H]2CN(Cc3ccccc3)C3(CCC3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681771 SOARLZQJSUQFBK-VWLOTQADSA-N 446.444 4.581 30 10 IJEE Cc1ccc(-c2csc(NC(=O)CSc3nc4c(cc3C#N)C(=O)CCC4)n2)cc1 15670059 HPDVDRHSKZUZLR-UHFFFAOYSA-N 434.546 4.635 30 10 IJEE NS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(F)cc4)o3)o2)cc1 33568287 XQDHMAMMFKEEAU-YRNVUSSQSA-N 437.448 4.889 30 10 IJEE C=CCOC[C@@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC 36248929 HPTDTPLSOVLANW-QFIPXVFZSA-N 429.605 4.599 30 10 IJEE CC[C@@H](Oc1ccc(F)cc1)C(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1O 38623269 GJGMGAYJNFVQJN-IIBYNOLFSA-N 434.467 4.523 30 10 IJEE CCCCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(C)cc3)c2O)c1 38624356 YRJQNMRBJFUFHM-UHFFFAOYSA-N 430.504 4.501 30 10 IJEE O=C(O)c1cccc(/N=C2/S/C(=C\c3ccc(O)c(O)c3)C(=O)N2C2CCCCC2)c1 39866806 VUCZUUDWOFDUPH-VNSYZNKPSA-N 438.505 4.733 30 10 IJEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1cccc(Cl)c1 59265798 PGMQFONXVVMWJW-UHFFFAOYSA-N 427.961 4.851 30 10 IJEE COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccc(C)c(C)c3)cnn21 64775587 RCDYROJMSUBJLO-DEOSSOPVSA-N 442.519 4.783 30 10 IJEE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)OCc1cn2ccccc2c1C#N 98002349 AOLUDBOCRBQUKA-KHPPLWFESA-N 430.895 4.774 30 10 IJEE C[C@@H](Oc1ccccc1C#N)C(=O)N(Cc1ccccn1)c1ccc(Br)cc1 108327922 TVHQYSXKJFPECG-MRXNPFEDSA-N 436.309 4.716 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 169923016 SCWXJUPLKBKQRC-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(OC)c2)c1 169928402 ULMNCWMXLHKFTM-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 170050093 HJPQCWZHGVYAGP-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE CC(C)Oc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170085863 DVPLLOROHRCMMH-UHFFFAOYSA-N 449.510 4.693 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccco2)c1 170095656 KSGSTERCJCHLKA-QFIPXVFZSA-N 430.460 4.638 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)cc1C 170175637 YRIZUEVZTDAMAG-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)cc1C 170199389 FWGUANNSLGNVLM-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(F)cc1 170237839 SFCGLQQJVPPINX-JOCHJYFZSA-N 441.499 4.616 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)c(C)c1 170257699 QSMITAWXNGNZLG-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)c1 170261901 RMNZPWOTWJAJRN-NRFANRHFSA-N 441.911 4.965 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(OCCC)c1 170323351 BYVDQJWPKNZVDO-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170360496 HSQTXFXYRQAGLY-OAQYLSRUSA-N 449.484 4.658 30 10 IJEE Cc1cc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c([N+](=O)[O-])cc1C 252590584 ATKJMGBZVLJWKX-UHFFFAOYSA-N 425.357 4.734 30 10 IJEE CCCC[C@@H](CC)OC(=O)CSc1nnc(N/N=C/c2ccc(N(CC)CC)cc2)[nH]1 253570671 NXWZPDAFHHJRFW-SYVPYPDPSA-N 446.621 4.701 30 10 IJEE N#Cc1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1O 443122713 HMQBRMGUKRBQNM-QGZVFWFLSA-N 444.331 4.515 30 10 IJEE CCOC(=O)C(C)(C)n1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cn1 482918406 FGWATCMMJZDIOU-UHFFFAOYSA-N 447.495 4.798 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 503028933 FBXLNGBKKYKNDS-GOSISDBHSA-N 438.962 4.543 30 10 IJEE CC1(C#N)CCN(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CC1 506328506 ATYWOIDHIXMPET-UHFFFAOYSA-N 428.895 4.567 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)N2CCc3ccccc32)CC1 549271538 JYCJHTOXUJZDDO-UHFFFAOYSA-N 445.567 4.537 30 10 IJEE COc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ccccc2)c(OC)c1 549540292 OKHBSWDIZPCQOV-UHFFFAOYSA-N 439.519 4.519 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 549641062 HFYHGHOZCAEESU-SFHVURJKSA-N 440.979 4.989 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 549641150 JHFRCHCGCVEUEJ-SFHVURJKSA-N 434.613 4.559 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 555188560 NSWBCRILRTVRHM-UHFFFAOYSA-N 429.568 4.792 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](C2CCCCC2)C1 559011397 XIOTUMHMBSPELC-HJOGWXRNSA-N 436.600 4.885 30 10 IJEE CCOc1cccc(CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 582437318 IWZHPJFEXGMCBX-UHFFFAOYSA-N 425.960 4.576 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2sc(C)cc2C(=O)OCC)cc1 586682485 OFLCMZCJFVNLAD-UHFFFAOYSA-N 427.526 4.691 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c(F)c1 609252065 DJTVNPOFQIWHFJ-UHFFFAOYSA-N 446.360 4.883 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669817601 WWINXWBCDRFAKI-IBGZPJMESA-N 441.377 4.548 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2F)OC1(C)C 690084982 XREQBARBBKXWRX-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE COC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1Cl 708738710 VKKYXBLVEBLEQL-OAQYLSRUSA-N 439.940 4.515 30 10 IJEE COc1ccc(Oc2ccc(Br)cc2C#N)cc1I 712928245 BKGFNPLEHPDEAB-UHFFFAOYSA-N 430.039 4.726 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 739749112 FRDJQTPKHPKEPL-UHFFFAOYSA-N 439.581 4.940 30 10 IJEE COc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1C#N 746858848 LMIGTBVSQDIHIT-UHFFFAOYSA-N 430.291 4.778 30 10 IJEE C#CCN(C(=O)c1sc([C@H](C)OC)nc1C)[C@H]1CCOc2ccc(Br)cc21 749390695 XCGAUJNTWNEHIK-BBRMVZONSA-N 449.370 4.521 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2cc(OC)ccc2OC)=C(/O)c2ccc(C#N)cc2)cc1 762440660 OEDQYYRGKAUEFG-UHFFFAOYSA-O 446.552 4.749 30 10 IJEE C#CCN(Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1)C1CCCC1 769529497 JLFSCXCAAMCOSN-UHFFFAOYSA-N 426.944 4.744 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](c2ccccc2)[C@@H](C)C1 800773841 NFXMGYBQKDHZMB-REWPJTCUSA-N 445.567 4.521 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)c1ccc(Cl)cc1 810472112 CUTJPFRXZUGEIZ-FQEVSTJZSA-N 448.954 4.561 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1CC(C)(C)C 812182089 BTULAXOWGZTYPY-HXUWFJFHSA-N 425.577 4.686 30 10 IJEE C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC[C@H](C)F)c1 814708664 QONWWLSIVCNWOE-YWZLYKJASA-N 441.503 4.515 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 1125832402 HIEQMKVNXAVWKD-OAQYLSRUSA-N 425.960 4.540 30 10 IJEE CC#CCCNC(=O)CN(CCCCC)C(=O)OCC1c2ccccc2-c2ccccc21 1137869822 FZTWMMSDOXYERN-UHFFFAOYSA-N 432.564 4.957 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1OC 1138221308 GBNZCGMJWFYPKG-FVXMCEBTSA-N 436.335 4.820 30 10 IJEE Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)o1 1142543857 GJRVGAYUNLOFGM-UHFFFAOYSA-N 431.477 4.617 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)cc1OC 1148593081 CPLCLTJIOLFFQK-XOWYPZSQSA-N 427.928 4.957 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F 1153365331 ZVSQFSBPKSQVNK-XJKSGUPXSA-N 430.467 4.854 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1nc2ccc(C)cc2[nH]1 1165215907 BJCOIXCCULGPSL-HXUWFJFHSA-N 432.524 4.784 30 10 IJEE CCOC(=O)c1c(NC(=O)CSc2nc3c(cc2C#N)CCCC3)sc(C)c1CC 1165462906 FEMKZYIRHSSBPD-UHFFFAOYSA-N 443.594 4.672 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCCC(=O)Nc1cc(F)ccc1C 1165768981 OUYUTHLSJQMWII-UHFFFAOYSA-N 426.517 4.612 30 10 IJEE C#CCN(Cc1ncc(C(F)(F)F)s1)[C@@H]1CCOc2ccc(Br)cc21 1180291523 CJACQZGTRBSJLO-CYBMUJFWSA-N 431.277 4.883 30 10 IJEE CC(C)(C)[C@@]1(CN2CCN(Cc3ccc(C#N)cc3)CC2)CCN(Cc2ccccc2)C1 1180402536 FVLJMLVZGJZBQN-MUUNZHRXSA-N 430.640 4.614 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2nc3c(OCC(F)(F)F)cccc3s2)cc1 1220341973 MOUFHKBKAQRWEV-UHFFFAOYSA-N 435.427 4.571 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C(C)(C)Oc2ccc(F)cc2)c(C(=O)OCC)c1C 1264356357 AESIWVZIFRATMZ-UHFFFAOYSA-N 449.500 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H](OCC)C1CCCC1 1286286335 WQPUICAZZLZXGU-HYBUGGRVSA-N 446.599 4.574 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1286325438 VNKZHQHYCIAKCV-JOCHJYFZSA-N 438.547 4.562 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1286356558 JMQPIZNLVWUFCB-KNQAVFIVSA-N 447.410 4.907 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC1CCN(CCC(C)C)CC1 1286454047 FGAXDKLLOXLHRQ-UHFFFAOYSA-N 439.623 4.939 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCCCCC1 1286553805 RIBTVGDRVVHNJZ-PZJWPPBQSA-N 425.533 4.605 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)c2ccccn2)CC1 1286664589 ZEVBBLHNEMFTAO-UHFFFAOYSA-N 447.583 4.641 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCCN(c2nccs2)CC1 1286696853 SPOMOGZDGKKABU-UHFFFAOYSA-N 428.993 4.738 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286697396 MFUYHSUEQOFQAD-UHFFFAOYSA-N 433.556 4.671 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC1CCCC1 1300327314 BFNXAUYAMURDAU-QUCCMNQESA-N 429.609 4.778 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1300348103 JDBZOMQWVMUTGJ-QXAKKESOSA-N 433.383 4.774 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1nc(C)c(C)s1 1300612021 QXELMEQMAWJNFF-UHFFFAOYSA-N 447.564 4.698 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1300742837 BVUDYOBFHNPXDO-KDOFPFPSSA-N 449.393 4.592 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCS[C@@H](C(C)C)C1 1300880411 ILKPRSNDFZQNIN-BWAGFHJFSA-N 442.629 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CCCO1 1300906312 NDGVHIMJTZQIQJ-FQEVSTJZSA-N 437.357 4.818 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1300936958 CLJWYADZGJQSFF-UHFFFAOYSA-N 443.020 4.516 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)CN2CCCC2)CC1 1301134219 GDXNVUPXKAKLMB-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC2(CCC2)C[C@@H]1CC 1301240625 DWYZIAOXLNAPAH-KRWDZBQOSA-N 448.409 4.787 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(C)c(OC)c1)C1CC1 1301334870 QNNWEJLODIQFRY-FYYLOGMGSA-N 438.616 4.911 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1Cc1csc(C)c1 1301341200 KNPUJZHPKKKZPS-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@](C)(O)C1CCCCC1 1301365384 NICVHZURKXVMRC-OFNKIYASSA-N 430.618 4.715 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1301444609 UIFXJCHWJVCFFH-ROUUACIJSA-N 449.368 4.817 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2ccccc2)C1 1301568626 VHBBNKCSBDBYBO-DNVJHFABSA-N 438.616 4.611 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1 1310378366 ZVNBXZBYZXASRY-UHFFFAOYSA-N 444.535 4.805 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nnc([C@H]2CCCO2)s1 1311123486 VXBNYVZLVBIRJK-CQSZACIVSA-N 441.326 4.511 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)Oc1ccccc1Br)[C@H]1CCCc2ccccc21 1312192701 LDSBYANLHKXTSN-UTKZUKDTSA-N 441.369 4.939 30 10 IJEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CCCC1 1348612551 RQBONJNYHAUHOM-MDPIYQRISA-N 430.614 4.865 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(C)(C)CNC(=O)OC(C)(C)C 1357804441 VOJQQERKWHPKKZ-UHFFFAOYSA-N 443.357 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CCOCC)CC1 1358877786 KMGAMCADMMJBHT-ROUUACIJSA-N 426.630 4.796 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cc(C(C)(C)C)no1 1358953011 HLKHUQWHBKKGTD-UHFFFAOYSA-N 448.354 4.567 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(O)CCCCCC1 1359004899 NSNJTIHHVGDAHV-UHFFFAOYSA-N 438.616 4.915 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)[C@H](C)CC 1359065702 YYFPRWSSXHYVTH-FQRUVTKNSA-N 430.600 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C(CC)CC)N(C)C 1359071288 LDEAMTGRDJIDDX-WIOPSUGQSA-N 443.586 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H](O)C1 1359074921 WXPBBEKZJSOLOK-GEQKSPFYSA-N 445.032 4.767 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)s1 1359096755 GLIIWLKGWGUFOE-WMLDXEAASA-N 437.407 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccnc(OC2CCCC2)c1 1359112225 CBGOEWWDLZIBKG-OAQYLSRUSA-N 425.577 4.687 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCC(C)CC1 1359126487 QZNJRJKAOGUXSY-UHFFFAOYSA-N 439.604 4.755 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1359146142 OICOSVCVETXRCP-ROUUACIJSA-N 449.430 4.837 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](COC)C1 1359184781 AAUYHYBXWKFKAE-AWEZNQCLSA-N 439.423 4.844 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C 1359257060 XZNXWWJRJWADMX-GJZUVCINSA-N 449.599 4.525 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359346932 ZTWSLSURCRRTEA-QHCPKHFHSA-N 448.608 4.557 30 10 IJEE C#CC[C@]1(C(=O)Nc2ncc(-c3ccc(F)cc3)s2)CCCN1C(=O)OC(C)(C)C 1435893446 BAKVDDXWHAPEIF-JOCHJYFZSA-N 429.517 4.681 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(F)c(F)cc1I)c1ccc(F)c(F)c1 1435951957 WHOQCJKNNLMFHL-MRXNPFEDSA-N 449.185 4.895 30 10 IJEE C#CCSCC(=O)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCC2 1436061841 KLGKBVKMXLGYLG-UHFFFAOYSA-N 434.380 4.535 30 10 IJEE C#C[C@@H](NC(=O)Cc1sc(C)cc1Br)c1ccc(Br)cc1 1436650520 CIPJCQSZTYZRPW-CQSZACIVSA-N 427.161 4.615 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccnc3ccccc23)CC1 1449889155 MQJQJVZHXONQLA-NRFANRHFSA-N 443.975 4.977 30 10 IJEE C#CCN(C(=O)c1cc(Cl)ncc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1456451768 VHYDQBSVPXXWKY-OAHLLOKOSA-N 440.124 4.750 30 10 IJEE CC(C)Sc1ccc(Cl)cc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1465604815 GEMPJQRVSJZEKD-XJKSGUPXSA-N 438.981 4.721 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCC3(c4cccc(Cl)c4)CC3)n2)c(Cl)c1 1465979813 GDBLOSZWYPPKAG-UHFFFAOYSA-N 426.307 4.904 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc1Cl 1470394463 NAKIKHTUXMVXQI-KFWWJZLASA-N 445.412 4.784 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 1470491069 WSGYQUHQGSEKJD-AWEZNQCLSA-N 449.370 4.510 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)c1ccc(F)c(F)c1 1476240150 CXEXYRQGMUOCMY-QGZVFWFLSA-N 441.356 4.753 30 10 IJEE C#C[C@H](NC(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1477860462 ZFNLFDPWEXLKSW-ZWKOTPCHSA-N 428.813 4.859 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)c1ccc(Br)cc1 1478308821 RWBOITAOPYUNQS-YLJYHZDGSA-N 436.353 4.770 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCC1CC(OC(C)(C)C)C1 1507619354 IXCQNLCHFRBAIS-UHFFFAOYSA-N 442.629 4.632 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CC12CCOCC2 1507695433 YSEJBQOPRWNFGW-OAQYLSRUSA-N 436.600 4.565 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1507702885 XNPBJMVGUCZEDE-YDHSSHFGSA-N 440.563 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1(OCC)CCCC1 1507770416 NTXXWKIEQWVERE-HSZRJFAPSA-N 426.992 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(C)cc1 1507771505 DCTKAQCMFZLACU-XLGIIRLISA-N 436.600 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(OC(F)F)cc2)nnc1C(C)(C)C 1507810741 LULWJRACZOUHGO-MJGOQNOKSA-N 434.531 4.795 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1507825465 XJZNRWOEXKHKNT-KRWDZBQOSA-N 426.561 4.564 30 10 IJEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@](C)(O)CCC(C)C)CC1 1507903188 AUXVLJLXTXUEFD-SANMLTNESA-N 435.616 4.940 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C)C2(CCC2)C1)c1ccccc1 1507919699 HQICXNBDODBQIV-IRLDBZIGSA-N 435.616 4.793 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ncc(Cl)n1C 1507940333 ZGUILQXRINNJSV-UHFFFAOYSA-N 449.784 4.697 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1507957375 YFARBBDWTHDNOR-INIZCTEOSA-N 446.926 4.958 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1508154652 ZNGGKWYOXFQDPF-DHIUTWEWSA-N 449.624 4.863 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1528714869 ZCORRBFKUKVMAU-VXKWHMMOSA-N 426.532 4.738 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1537773360 SEFPKXCHEGNEOW-UHFFFAOYSA-N 443.206 4.781 30 10 IJEE C#CCN(C(=O)CCc1cc(C)cc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1538199756 ZKQZACNNFYRDRP-OAQYLSRUSA-N 426.354 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCCCCC2)nc1 1538973746 OVLIXZVYDNGABI-IBGZPJMESA-N 449.002 4.880 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2c(Br)ncc3ccccc23)c(OC)c1 1538990268 TVVZAVNNPYKLTQ-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1539075703 FKWFXDMNQNJTHJ-BVAGGSTKSA-N 443.595 4.672 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1539109273 NCWNOEGXUJYFHO-ISKFKSNPSA-N 436.600 4.789 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC1(CCC)CCC1 1539247019 VGSHPBNPLNADRE-UHFFFAOYSA-N 431.403 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCN(CC)C1 1539656052 SKKKOPMOTUFNEK-RBUKOAKNSA-N 427.662 4.876 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1539691377 XPNVNCCBSCGEIQ-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](OC)[C@@H](C)CC)CC1 1539859088 KBMOGWPFPJTHKV-ICSRJNTNSA-N 430.618 4.797 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1539894420 GVXFEPUQKBUXJB-UHFFFAOYSA-N 449.643 4.944 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccs2)CC1 1539896602 PNMXEHSEPBUWGZ-IBGZPJMESA-N 443.617 4.862 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1539902195 AVTOBZOXGRTTFM-IBGZPJMESA-N 439.652 4.942 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCCO1)c1ccccc1 1539949505 YMLIFLJLGWOKFL-LADGPHEKSA-N 431.584 4.629 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1540109043 NVBCDLVPXVCPBZ-UHFFFAOYSA-N 429.609 4.589 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 1540829048 QJWVKSAUYVLZLP-WBVHZDCISA-N 440.968 4.696 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1540855699 KXHZRAOQDNFCSO-AWEZNQCLSA-N 438.359 4.541 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2CCCC2)C1 1540885521 KQUBCKBRDRBQFK-LJQANCHMSA-N 445.405 4.988 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cccs1 1541991635 GUZLBUKAJDMQGN-PWHSHALESA-N 427.618 4.631 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccccc3OC)C2=O)nnc1-c1cccc(Cl)c1 1559391270 VTUUCCADGCUCMI-LJQANCHMSA-N 440.956 4.691 30 10 IJEE CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1cc(F)ccc1F 1559693297 DNVCOOZKHZPKSL-HSZRJFAPSA-N 436.506 4.983 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1)C(C)C 1562640521 RWJPQMZGKWOMQG-MRXNPFEDSA-N 437.972 4.818 30 10 IJEE C#CCN(C(=O)NCCc1ccc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1563787992 AJLFQNCDZBIFMS-OAQYLSRUSA-N 441.369 4.777 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)c3cccnc3Nc3ccc(Cl)c(Cl)c3)C2)cc1 1567385115 AFBWSNODNYBPJT-UHFFFAOYSA-N 439.302 4.907 30 10 IJEE C=CCONC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1569150704 KCZLRJPUCDJQHM-UHFFFAOYSA-N 435.336 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1Cc1ccc(C(F)(F)F)cc1C 1589227822 DRPPVFJFPRKMLE-HSZRJFAPSA-N 439.485 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccoc1 1589494698 NNDDLGYWSSLFKX-QUCCMNQESA-N 444.482 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1589636727 DZCXKQGWEYOOQY-UHFFFAOYSA-N 444.583 4.920 30 10 IJEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1cccs1)c1ccccc1 1593799733 CLKUGXPHTAWJGS-VCOUNFBDSA-N 438.597 4.974 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCCC[C@@H]2C)CC1 1594064721 SGGWCWAIWLIOCS-IBGZPJMESA-N 429.012 4.805 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@H]2OC)CC1 1594218822 UMPWTTNRBJAHET-YLJYHZDGSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2csc(COC)n2)CC1 1594240790 AEVCOWOLWCDZJQ-UHFFFAOYSA-N 444.004 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1594473771 ZXHCMCRXKKSPNH-DEOSSOPVSA-N 442.629 4.898 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1594692682 CKHMMZNTVWAWEN-WOJBJXKFSA-N 425.533 4.603 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1C1CCCCC1 1594857472 JTVYDKQPLVGNSB-PZJWPPBQSA-N 441.595 4.977 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(F)(F)CC1 1595844427 BPKIPLNOLWWPLL-OAHLLOKOSA-N 426.508 4.712 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595878135 JCFQPADTSWDDEY-PKOBYXMFSA-N 449.665 4.594 30 10 IJEE COc1ccc([C@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(C)c1OC 1595973063 FWRDKLYBAIXHCN-SFHVURJKSA-N 430.504 4.954 30 10 IJEE CC(C)(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1597362687 HCTGEAIZFUVYQY-UHFFFAOYSA-N 448.615 4.624 30 10 IJEE Cc1ccc(-c2cccc(CNS(=O)(=O)c3cccc(Br)c3C#N)c2)cc1 1621927563 CTZVLUAIQYNYOS-UHFFFAOYSA-N 441.350 4.775 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCCC2)cc1 1622929085 WRPNTYFZILSTOQ-UHFFFAOYSA-N 442.357 4.956 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](C)[C@@H]1C 1625234728 DBUSZFDWBLNHKU-YGJVYZRNSA-N 438.955 4.903 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CN(C(=O)OC(C)(C)C)C1 1632016956 CSMJSOHVICDKAN-AWEZNQCLSA-N 427.372 4.854 30 10 IJEE C#CCN(C(=O)C[C@H](C)Cc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634817966 KFVHFRVDZVZWJG-GOSISDBHSA-N 432.992 4.770 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)c1 1638060750 FPIOHYXFWQFDMG-SFHVURJKSA-N 449.894 4.854 30 10 IJEE C=CCCCCCCCNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 1642064374 JWZXGLJDWGQVEQ-UHFFFAOYSA-N 425.554 4.504 30 10 IJEE C#Cc1cccc(N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)Cc2cccs2)c1 1642177643 IPJLGHPZJKITMX-UHFFFAOYSA-N 430.512 4.586 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 1643284346 AVUCSIYQGGLUFR-QGZVFWFLSA-N 441.981 4.554 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1648409348 GOHGRJLKRBNTCU-JOCHJYFZSA-N 426.582 4.820 30 10 IJEE C=CCn1c(SCc2cccc(CN3CCOCC3)c2)nnc1-c1cccc(Cl)c1 1652741815 YBUFALIYOYGICZ-UHFFFAOYSA-N 441.000 4.909 30 10 IJEE N#Cc1cccc(Br)c1Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 1655111557 GDZSCUUXGKQUAD-UHFFFAOYSA-N 435.325 4.556 30 10 IJEE C#CCN(Cc1ccc([Si](C)(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 1657340604 VBGXENJWZQPPKG-NRFANRHFSA-N 428.446 4.953 30 10 IJEE C=CCOc1c(Cl)cc(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)cc1OC 1658903713 RHWIWFNHQALRGO-FQEVSTJZSA-N 425.916 4.904 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)c1C#N 1662084534 HEUSMIVRVXJRQM-INIZCTEOSA-N 432.590 4.972 30 10 IJEE C=CCC[C@H](NS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1)c1ccccc1 1662358816 LCJYUZORGMQBDV-RTWAWAEBSA-N 434.399 4.933 30 10 IJEE COc1cc(NC(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)c(F)cc1C#N 1663619673 DIQKLFRMGYEUSE-UHFFFAOYSA-N 448.539 4.787 30 10 IJEE CCCc1c(NC(=O)Nc2cncc(Br)c2C)cnn1-c1cccc(C#N)c1 1664910562 DETZEGDANOBGSA-UHFFFAOYSA-N 439.317 4.806 30 10 IJEE C#C[C@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1F 1667154206 GOJLJSUURAKGME-AWEZNQCLSA-N 439.668 4.509 30 10 IJEE C#C[C@H](CCC)NC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1670132341 MKHIWMLPQWBDNU-MRVPVSSYSA-N 436.253 4.881 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 1672209490 DUWOQVIMCGIUOJ-ZDUSSCGKSA-N 444.329 4.781 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1 1672951675 DLLGYTNSSZPUKQ-HSZRJFAPSA-N 446.469 4.904 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H](COc2ccccc2)c2ccccc2)CC1 1678438549 DRFYIZBQHSTDJH-VWLOTQADSA-N 440.547 4.647 30 10 IJEE C[C@H](NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 1680711863 HAHSGLLQETWXFT-ZDUSSCGKSA-N 428.323 4.826 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 1684644710 MVKXULIXBNMSCP-RTWAWAEBSA-N 431.577 4.789 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC=C(C)CC1 1689878809 WEALXZBSGLROLB-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1689888145 BHHLLSKNRODJDW-GOSISDBHSA-N 427.618 4.681 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCc1nccs1 1689949012 NLFFKGAONKTTCQ-UHFFFAOYSA-N 434.594 4.536 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CC[C@@](C)(CC)O1 1690034279 CEUDSYFOTAYUBG-JYFHCDHNSA-N 430.596 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCCN1CCCC[C@@H]1C 1690200329 TTYCKHKOYPDFAT-HFZDXXHNSA-N 435.616 4.600 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1690227599 CNCRZQVDSSTEIB-FUHWJXTLSA-N 435.341 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CCN(CC)C(=O)OC(C)(C)C 1690260751 WPCAMEAAFQRTAN-UHFFFAOYSA-N 443.592 4.613 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1690285932 QSMSVEKJJHAULO-RTWAWAEBSA-N 430.980 4.699 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1690415662 SYHVYRMRYSOVPN-HXOBKFHXSA-N 432.996 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1 1690437686 LRBRSFHJJOVPFA-SFHVURJKSA-N 432.996 4.976 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](COCC)C1 1690453763 IGOCUGQOLIBKOG-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C 1690454021 QUDZWMWBODRQIR-HNNXBMFYSA-N 444.004 4.836 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1690478359 UVZVEMWLJQNHNB-OAQYLSRUSA-N 446.599 4.592 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1690510940 JZTJMEVZQHXYBP-SZPZYZBQSA-N 438.616 4.840 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@@H]1C(C)C 1690560046 OHUSVEXGQRLAGN-ISKFKSNPSA-N 435.616 4.992 30 10 IJEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](c2cccnc2)C(C)C)c1 1693216286 HMZYQKXQYKLDEA-REWPJTCUSA-N 432.572 4.596 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC=CCC1 1705591136 HATVAEPGWQAQQR-INIZCTEOSA-N 429.387 4.588 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](OCCC)CC1 1705733122 JCBVWQDZLKFFCB-QFIPXVFZSA-N 449.599 4.872 30 10 IJEE C=C(Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1)c1ccccc1 1705743372 VHPITQMPQIKDKC-JOCHJYFZSA-N 449.599 4.872 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1705756265 WJWBPZRFRCZMFY-YJBOKZPZSA-N 447.744 4.920 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@H]2CCCCO2)CC1 1705785272 BPUUOXVRKQTIBR-OAQYLSRUSA-N 440.588 4.617 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CC[C@H](F)C2)CC1 1705785691 SCQQJSLRYDDCOZ-UXHICEINSA-N 428.552 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705794207 YWMRSLMAXNUUHS-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705811620 GVHGLLXHBQDZMM-VWNXMTODSA-N 447.631 4.911 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCCCC2)CC1 1705824537 SLUWRSZNQMDTDU-FGZHOGPDSA-N 429.653 4.618 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC=CCO1 1705867367 MUGQLZVCQRPQAU-HXUWFJFHSA-N 440.544 4.595 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)C(C)C 1705867727 UMENIJOCNUOXGD-VXNXHJTFSA-N 444.627 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H](OC)C(C)(C)C 1705868404 MHBPFDSDAMCQMF-HXUWFJFHSA-N 425.602 4.579 30 10 IJEE COC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H](C)CC#N)CCCCC1 1711621236 AVBHCNVPAKYKJS-MRXNPFEDSA-N 433.503 4.634 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC2(CCCCC2)O1 1722348638 JKXJYMYWGDBXNH-KRWDZBQOSA-N 443.389 4.659 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1722461690 PFPWCZGAUKLZQZ-UHFFFAOYSA-N 426.630 4.589 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H]1C 1722465401 LHWBUINZEVDDOQ-CABCVRRESA-N 439.412 4.765 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC1 1722467035 KUAGRYVXSWFYEL-YDIMBITNSA-N 442.991 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCC(F)(F)F 1722496967 PKZSSHFLZXYHJK-YOEHRIQHSA-N 428.886 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](CCC)OC 1722515943 PNUVLTCUMCJQID-WOJBJXKFSA-N 449.640 4.610 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCSC2(C)C)CC1 1722562592 FJRGHRLWWXOYRV-GOSISDBHSA-N 428.602 4.650 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCCc1c[nH]nc1C 1722659766 BWBKTYWAYFHMFD-JOCHJYFZSA-N 438.551 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC12CCC(CC1)C2 1740651227 CKNRZSJCIYZFFQ-UHFFFAOYSA-N 437.385 4.751 30 10 IJEE C#CCSCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(Cl)cc1 1740723895 VXPWULLWOYULEX-UHFFFAOYSA-N 426.977 4.705 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccsc1 1740749672 BSURMHADVWRGRJ-HZPDHXFCSA-N 439.423 4.803 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1740794783 IDBRSYRDNVVQDM-HXUWFJFHSA-N 429.634 4.986 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H](OC)C(C)C)CC1 1740823568 DSANYPLNYNSQQO-DENIHFKCSA-N 428.577 4.644 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1740834557 BITJBHGZQBIRHH-FQEVSTJZSA-N 432.616 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC2(CCC2)C1 1740846687 HTZGQKVLKVIULE-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1cccc(C)c1 1740920820 WIGNFTQVTNBRSY-HXUWFJFHSA-N 449.624 4.880 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1C[C@H]1C 1740939331 UWOPIPYJWCUKBF-ZIAGYGMSSA-N 439.785 4.656 30 10 IJEE CCOC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1746600700 HCZGIPPEBKOPGY-RUZDIDTESA-N 432.572 4.747 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CC)CCOCC1 1748649679 RUBYDUGLKHLBOA-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1CC 1748684326 HEZLXRLSOMGFIP-KSZLIROESA-N 445.405 4.904 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1748724584 FUVDWMFRFIVXKQ-YLJYHZDGSA-N 434.506 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)cc1 1749119533 UAHBNVUCOCULPU-MJGOQNOKSA-N 433.394 4.782 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749130498 MBLVMMMPEVLSHF-XXBNENTESA-N 444.645 4.825 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749219989 ZNYOQKONLUFPBP-UXHICEINSA-N 442.604 4.816 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749391093 QNUAHZJJABRIAR-FQRUVTKNSA-N 438.616 4.983 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1749414228 CHXFNIPTVHDJKY-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1Cc1ccnc(OC(F)F)c1 1749538046 DFJMHXVDTCXNKH-UHFFFAOYSA-N 448.477 4.577 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1OCCC1(C)C 1749547529 RJYNKYABOIFONJ-QFIPXVFZSA-N 435.547 4.795 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1nc(C)c(C)s1 1749554738 XUMIEHAHQSUZDM-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccsc1 1760213007 MBAYSCQFLFUTOC-GOSISDBHSA-N 434.634 4.899 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1N(C)CCCC1(C)C 1760224911 CSROIONMMWVNTL-FYYLOGMGSA-N 437.632 4.615 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C)CCCC1 1760245066 PYRMAOHPCHWYBX-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1760419894 FCHFOPMWRCWZOH-ZWKOTPCHSA-N 441.542 4.990 30 10 IJEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760443383 GNACPFXYDDQJPR-FQEVSTJZSA-N 432.515 4.704 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C/CC 1760481071 MMLBHVQISZWAKF-WEVVVXLNSA-N 443.599 4.611 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CC1(N(C)C)CCCC1 1760491347 CSWYCEVEIDNTOX-UHFFFAOYSA-N 444.421 4.760 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CCN1CCC[C@H](C)C1 1760499942 PYAQUAOFBKKTCH-FQEVSTJZSA-N 437.563 4.644 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC1(O)CCC1 1761357598 GIRUNLUVAPVNGT-MRXNPFEDSA-N 439.560 4.856 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CCn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1 1761642995 FPGZYKPQLCTLNA-HSZRJFAPSA-N 440.979 4.666 30 10 IJEE CCC1(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1764400236 ALRVCYXTGAFFHF-SFHVURJKSA-N 432.572 4.604 30 10 IJEE CCc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)cc1 1858840086 VQAJRKYSFUWEAS-INIZCTEOSA-N 429.480 4.566 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4ccc(F)cc4)CC3)cc2)c1 1860669856 SHXNRYJGNYUFPB-UHFFFAOYSA-N 426.447 4.846 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(F)c2)cc1 1862390983 PWCXHMGEFILOBI-QFIPXVFZSA-N 425.500 4.783 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862433203 XHAXWKQPHPGCOZ-DJJJIMSYSA-N 432.303 4.751 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C)cc1 1862507350 JJCBDURRGOZYNJ-HSZRJFAPSA-N 438.543 4.753 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1F 1862523434 HMQLXXWAWUGJHG-KPZWWZAWSA-N 432.289 4.965 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1C(=O)O 1862545560 CQHXVJGKYFGIRT-IVZQSRNASA-N 433.504 4.640 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862574614 RQWPLTSIBHXCNS-JOCHJYFZSA-N 435.520 4.766 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1862582555 HLYYZJXAHAXRCQ-QGZVFWFLSA-N 434.275 4.678 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc2ccccc12 1862609581 PVLNBHXDTPQNAH-VOIUYBSRSA-N 443.499 4.988 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862616251 SUDRAMCKMDBCFG-HSZRJFAPSA-N 434.580 4.904 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862681720 GWPHHUYOXQUEBB-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)c1 1862698416 HIFMMKFUMWZIQA-MWTRTKDXSA-N 429.472 4.740 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2cccc(O)c2)c1 1862698537 JOMFJVFOVGUAEE-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 1862714320 AKIQDKMLMQHIJP-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(NC(C)=O)cc2)C1=O 1863548267 BMHSGNNZGNKZSB-UHFFFAOYSA-N 427.589 4.865 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1ccc(C(C)C)cc1 1865159595 XREVJCWJXLDVTE-QFIPXVFZSA-N 448.611 4.874 30 10 IJEE COc1ccc(C(=O)C2CCN(c3cc(Nc4cccc(C#N)c4)nc(C)n3)CC2)cc1C 1868467124 OUDINOMTBHKNKO-UHFFFAOYSA-N 441.535 4.817 30 10 IJEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CN(CCCC)CCCCCC 1870371196 UHBWNRKFFUHTHO-UHFFFAOYSA-N 434.621 4.939 30 10 IJEE CCCCCCCOc1cn(CCCCCO)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870838179 RZIOCMXBDZBJIL-UHFFFAOYSA-N 445.560 4.880 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871176859 OTXHBGPHYYSSNF-UHFFFAOYSA-N 449.526 4.926 30 10 IJEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1OC 1871369103 ZMPKSLFVELOSMM-UCQKPKSFSA-N 434.444 4.841 30 10 IJEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871384414 QMCXXYCKKWBBRW-UCQKPKSFSA-N 444.439 4.714 30 10 IJEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871394874 VLXNAHVLHBECBX-MYYYXRDXSA-N 440.543 4.941 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871441944 RMDAPEOPHVSKSF-JJFYIABZSA-N 431.444 4.733 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871872363 JZPWMCVEQVCEKX-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C 1872317758 NQKJRVDNTMFSKQ-JOCHJYFZSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872318547 WCHNFNRHZMBKET-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC(C)C)=C(c2cc(F)c(F)cc2F)C1=O 1873239397 NTYWGDXWCNXQLU-UHFFFAOYSA-N 444.453 4.825 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccccc2Br)C1=O 1873252524 KXLQHOIQRGYBOW-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc2n1CCC 1873571756 BSIHAVAMWUVJEB-OALUTQOASA-N 429.609 4.545 30 10 IJEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N(CC)CCCC)ncnc21 1873594282 PDAXZJMEJVCKKD-UHFFFAOYSA-N 433.600 4.996 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccnc1 1874213764 DYBUMFDSYBNWHF-ZVHZXABRSA-N 427.961 4.889 30 10 IJEE COc1ccc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SC)cc1OC 1874225165 WVEWONMDSHPDIB-BUVRLJJBSA-N 440.569 4.528 30 10 IJEE OCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874233872 GPJMRZWOQWFLQL-PCLIKHOPSA-N 436.968 4.837 30 10 IJEE CCOc1c(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC)cccc1OC 1874261781 RSDFPORNHLGFDC-WYMPLXKRSA-N 448.495 4.537 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(Br)cc1 1874262912 XOBBXFQVXALKIJ-KEBDBYFISA-N 437.750 4.877 30 10 IJEE C(=N/n1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)\c1ccc[nH]1 1874315680 FGVPVJVBRPPMDV-LGUFXXKBSA-N 431.565 4.835 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1cc(OC)ccc1OC 1874371725 NMGKCDFOIQQQMN-LPYMAVHISA-N 428.583 4.692 30 10 IJEE COC(=O)c1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccco2)o1 1874396515 JXHUNFAMRIXZNA-LUILSVGHSA-N 436.493 4.577 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccncc1 1874426752 YQCIRWDWZXXENA-WGOQTCKBSA-N 442.548 4.516 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OCC)c(OC)c1 1874503729 XCEPSAZKFHTRPH-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(OC)c1 1874505888 DACQNCXJUPWHEV-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE CCCOc1cccc(/C=N/n2c(CCC)nnc2SCc2ccc(C(=O)OC)o2)c1 1874507369 ZJCAASXSJOKSOS-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(OC)cc2)cc1OC 1874562733 NWLPMRCMZXJAJD-LFVJCYFKSA-N 440.569 4.626 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 1875119369 QHGWGVAMBVBJRK-RIYZIHGNSA-N 446.459 4.785 30 10 IJEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1[N+](=O)[O-] 1875177278 DJKSRCMBWPCORW-XYOKQWHBSA-N 427.453 4.994 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875188640 BWYVUOANTIBQJI-XBXARRHUSA-N 445.855 4.867 30 10 IJEE C=CCn1c(C(=O)N2CCC(C)CC2)cc2c(NCCCCc3ccccc3)ncnc21 1875229668 ALWAGVWDTZWFMP-UHFFFAOYSA-N 431.584 4.924 30 10 IJEE Cc1c(NC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)ccc(F)c1F 1890478757 HHCSVZIMSZXYDC-UHFFFAOYSA-N 428.464 4.717 30 10 IJEE Cc1ccc(-c2cc(C(=O)NCC#CCOc3cccc(C(F)(F)F)c3)n[nH]2)cc1C 1891470791 WPGLVKYBIXLMKO-UHFFFAOYSA-N 427.426 4.525 30 10 IJEE O=C(c1c(F)c(F)cc(F)c1F)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1891855364 QHKAASDFQCZJGM-JTQLQIEISA-N 436.327 4.588 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(CNC(=O)OC(C)(C)C)cn1 1922115598 ITZYMIPPAIIRNM-QHCPKHFHSA-N 425.573 4.920 30 10 IJEE Cc1cc(C#N)cc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951476787 MQBIJQJJRMUEME-RUZDIDTESA-N 440.499 4.791 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(F)c(F)c1Br 1963653954 BUYRQEAUQCKUNZ-CYBMUJFWSA-N 446.292 4.643 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C(C)(C)C1 1986944584 MFPJACKAWSELJZ-IBGZPJMESA-N 435.487 4.715 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1Cl 2010546276 GQRVBOJKUXYXQI-MGPUTAFESA-N 443.931 4.649 30 10 IJEE C=C1CC(C[C@H](NCCC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2011044190 SMNMAHTXXAFEQI-OZXSUGGESA-N 427.633 4.880 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2016223599 HNINYGBEBCPZLX-HRAATJIYSA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022278970 GSQDVVLAQMHTSO-BWKNWUBXSA-N 427.589 4.739 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCOC2)C1 2038664251 BRXGZBPQSRDEJC-IZZNHLLZSA-N 439.600 4.884 30 10 IJEE CC1(C)OB(c2cc(F)c(C(F)(F)F)cc2NC(=O)OCc2ccccc2)OC1(C)C 2081125498 PCPKVRLWFUERQP-UHFFFAOYSA-N 439.214 4.892 30 10 IJEE Nc1cc(-c2cccc(C(F)(F)F)c2F)nc2c(Br)c(C(F)(F)F)nn12 2081236298 FTYWFIGZKIKFST-UHFFFAOYSA-N 443.120 4.918 30 10 IJEE C#CC[C@](C)(CO)CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2084842177 ODBNTROTAFZNEO-NDEPHWFRSA-N 429.560 4.956 30 10 IJEE Cc1cc(C#N)cc(NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1 2124695965 AMGRYQNYYBOGBZ-AREMUKBSSA-N 449.551 4.649 30 10 IJEE NN[C@H](CC#CC1CCCCC1)c1ccc(I)c(Br)c1 2149856716 ATTBUTQPBIQNJE-MRXNPFEDSA-N 447.158 4.532 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC2(CCN(Cc3ccccc3)CC2)C1 2163695549 OAZUEEHPLZEXQJ-UHFFFAOYSA-N 428.349 4.952 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCCC2)c2cccc(Br)c2C#N)C1 2174763718 QHWMPLPQOPANIZ-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2ccccc2Br)cs1 2227487661 RQPCMKHWQGNENN-WBMJQRKESA-N 437.359 4.576 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235735892 VNPVDEVENSQRJR-MOPGFXCFSA-N 435.406 4.958 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)c2cc(Cl)c(Cl)s2)s1 2237724895 OAWZNKQCTSLVHG-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2282146537 ALKVALRSCLSQCC-JOCHJYFZSA-N 449.400 4.504 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C12CC(C)(CN1C(=O)OC(C)(C)C)C2 2296215966 GDYMNMMLVRRFDQ-OSFYOIPJSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2296215982 GJEIOVKVRDDZHN-YZGWKJHDSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 2296218105 APBWYDWNMQVYFA-NNMXDRDESA-N 433.390 4.711 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cn1 2296218666 GPFNTSYSPDUIOO-SFHVURJKSA-N 430.346 4.893 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 2296266922 NFSKRWSEWUORJE-VAMGGRTRSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@H](N)C#Cc1cccc(Br)c1)c1ccccc1 2296267978 YXOKEJZPVWXBAY-UXHICEINSA-N 429.358 4.784 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296269127 MCNWKJXGXXMARL-HZPDHXFCSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@@H](N)C#Cc1ccc(Br)cc1 2296304420 HEBXOVUUJGGGRR-HKUYNNGSSA-N 447.398 4.724 30 10 IJEE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 2313601795 SXFCPPPTBHLPOS-UHFFFAOYSA-N 446.458 4.665 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2cccc(C)c2C)cc1 2321230059 RYQQLDHSOIHRNI-UHFFFAOYSA-N 437.569 4.687 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)cc1 2322145809 BVRCHTGORNZQCH-IIBYNOLFSA-N 433.504 4.820 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCOC)C4)C2=O)cc1 2322331025 UWVSOIIXEOPRIN-UHFFFAOYSA-N 436.552 4.646 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)cc1OC 2322346771 AVPOWVUPWJUHTI-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 2322371840 VJOULBLRHXYYQA-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2324372215 JEXPJWLIXLHKJL-SFHVURJKSA-N 448.500 4.504 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 2324450395 QPCIGMDYGPKRHR-INIZCTEOSA-N 445.471 4.726 30 10 IJEE COc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)cc(OC)c1OC 2325751277 HEMJTHKIISPKJE-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1ccccc1O 2326460861 MBELCVIPSISAFG-UHFFFAOYSA-N 436.537 4.678 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1C 2329143478 UPTBXUFZQYJSPU-UHFFFAOYSA-N 442.972 4.758 30 10 IJEE CCCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1ccc(F)cc1 2331246159 IMJZLJXBTDPOLA-UHFFFAOYSA-N 428.533 4.569 30 10 IJEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)ccc1F 2331340324 ZIFSXCFXHCBFJP-UHFFFAOYSA-N 449.390 4.886 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCC2)n1N=Cc1c(OC)ccc2ccccc12 2331547746 PXPVNZDYIYAYOO-UHFFFAOYSA-N 438.553 4.635 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1OC(C)C 2331630118 MNUHOJPZRZQVIC-UHFFFAOYSA-N 437.569 4.631 30 10 IJEE Cc1cc(CN(C)C[C@H]2CCCN(Cc3ccccc3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369731083 IOJCJHUIUCCNLY-XMMPIXPASA-N 448.460 4.638 30 10 IJEE C=CCCCN(CC)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2377649515 DNWZDPUSWZNNFX-AWEZNQCLSA-N 425.186 4.861 30 10 IJEE CCCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(C#N)c1 14650037 BSXAUSLGTFRLQE-UHFFFAOYSA-N 432.343 4.626 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2C)Nc2cc(C)ccc2OC)c1C 32973437 JERXSYXVRIQOTO-UHFFFAOYSA-N 447.583 4.586 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 35442964 PHHJYFFQILXCAB-RRZPITBASA-N 446.591 4.914 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc([N+](=O)[O-])cc1 59791863 SHKKQIWRKZMRHT-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(Cl)cc2F)CC1 64473749 ZGZFASZKQDSOOJ-UHFFFAOYSA-N 426.854 4.893 30 10 IJEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc2c(c1)OCCCO2 72460665 YFNILULGSWNQRW-JOCHJYFZSA-N 448.548 4.610 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 103107894 JRZJLIIWTKBYAX-MYXKAAJQSA-N 434.580 4.882 30 10 IJEE N#C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(F)cc1F 111219397 KGWWBSRYZWEKHG-GOSISDBHSA-N 433.867 4.577 30 10 IJEE Cc1cc(C)c(S(=O)(=O)N/N=C/c2ccc(OCCCc3ccccc3)cc2)c(C)c1 169904442 HCKMECDASKHMIA-NLRVBDNBSA-N 436.577 4.936 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2C[C@H](C)O[C@@H](C)C2)C1=O 170069810 JKKQJIVGDNFESG-ROUUACIJSA-N 432.992 4.890 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170114155 MTQHHAFUZQCZDJ-UPVQGACJSA-N 443.499 4.606 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143377 GWNRHELUOBBYDI-HYBUGGRVSA-N 427.500 4.906 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccn1 170167977 MAABGOHJWQGXJN-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)c1 170189163 OITBFLRBXBEDKO-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccncc1 170203574 HVSYFSRHDPTUSO-FQEVSTJZSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170208560 UIZSMBJMUHGYOO-NRFANRHFSA-N 445.862 4.655 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2C)c1 170270429 VVXHOKVBMSATNH-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1sccc1C 170315558 MZPJBZSZFOFIKV-FQEVSTJZSA-N 433.485 4.877 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Cl)cc2)c1 170365229 MTLUKDUBZMZLBM-NRFANRHFSA-N 434.879 4.917 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc(Cl)c1O 170366350 YXYUEPNUBLTKTR-HXUWFJFHSA-N 435.863 4.837 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2C)ccc1O 170465086 VGKUHCFZDLLOJI-HXUWFJFHSA-N 429.900 4.878 30 10 IJEE CC[C@H]1NC(=Nc2ccc(I)c(Br)c2)S[C@H]1C 387341635 FFDMFDROOUUQQL-WRWORJQWSA-N 425.133 4.545 30 10 IJEE N#CC1CCC(CNC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 441025725 AMTIYJZNSNSXOQ-UHFFFAOYSA-N 427.552 4.728 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 495076627 ATOMYJKMAOJNGA-OXQOHEQNSA-N 432.879 4.660 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](n2cc(C)cn2)C1 508682115 MMIMQTYEHJFFEG-KRWDZBQOSA-N 447.370 4.696 30 10 IJEE C=CCCCN(C)C(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 522945004 GUUSGXOSPNHWFD-UHFFFAOYSA-N 431.330 4.505 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)CC2)c1 525458026 NREXFFCPTDGYPA-UXHICEINSA-N 430.426 4.630 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1Br 526815714 LAQIGVDDUJPIOX-NKVSQWTQSA-N 437.750 4.877 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 555244770 RVHAPQTWTHHGFI-OAHLLOKOSA-N 442.545 4.620 30 10 IJEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 559006318 NKIPXZKLZPKFMZ-ZWKOTPCHSA-N 436.478 4.782 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 578726943 IDNPYEIBQMZBFI-QUCCMNQESA-N 440.979 4.994 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3O[C@H](C)c3ccccc3)cc2C1=O 604289556 JMXSZPIIAVXRGW-QGZVFWFLSA-N 426.472 4.861 30 10 IJEE COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 610103758 CHQHVURMHJJLHU-OAHLLOKOSA-N 433.895 4.703 30 10 IJEE C=C(COCC)[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693703733 WJUOXGLAHFUDOT-HSZRJFAPSA-N 445.648 4.507 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 698869143 RQSUFQUINIFMOW-IBGZPJMESA-N 435.487 4.715 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)c(Br)c1)c1ccccc1 721343960 UBVYXERJDHKPMA-GFCCVEGCSA-N 426.051 4.544 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]2C)c1 727736805 QONCEYQLLCEXQY-BFUOFWGJSA-N 439.364 4.513 30 10 IJEE CCCN(Cc1cc(Cl)ccc1OCC#N)C1CCN(C(=O)c2ccccc2)CC1 735310145 RIGKEHGGRKVGNE-UHFFFAOYSA-N 425.960 4.759 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(Nc2cccc(OC)c2)sc1=S 745162190 KVSCZJBEVUBWQN-UHFFFAOYSA-N 443.554 4.980 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 780676706 CVYGILWBPWOSJY-SZNDQCEHSA-N 438.915 4.611 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 780682367 URCYGCMYRRQAIK-DOTOQJQBSA-N 435.459 4.578 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 904765097 SKEUNBISQUOBHV-GFCCVEGCSA-N 430.933 4.538 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)cc1 1084032856 LOZZFFVPCXXCNI-AWEZNQCLSA-N 426.521 4.634 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H]1c1ccc(Cl)c(F)c1 1126564175 GGWKAUNRZBUQOU-SCLBCKFNSA-N 439.796 4.528 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 1126931319 PESOWLZUSBOBMM-QGZVFWFLSA-N 449.469 4.924 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)C(=O)OCC 1132193525 ZVYPAIZPRWSEEY-HXUWFJFHSA-N 436.335 4.652 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCOc1cccc(Cl)c1 1136329816 PEGJWGVAPJIBEJ-KRWDZBQOSA-N 431.360 4.603 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 1137722093 WARZOCMVDFPIOS-CVEARBPZSA-N 426.916 4.580 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(F)c(F)cc1I 1154367371 VMJBAFHCAAXYFH-UHFFFAOYSA-N 443.231 4.720 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1157507926 KTWLJAGOAJJRIG-TZIWHRDSSA-N 442.918 4.944 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@@H]1C 1188063123 TYTMLRRCXNJDHQ-LVCYWYKZSA-N 425.598 4.686 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)Cc2ccc(CC)cc2)c1 1207998011 ZJUZURXUUJGDBK-UHFFFAOYSA-N 436.529 4.954 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1234235371 FQNVPPZIYUKHHL-GWWHBBDRSA-N 443.588 4.569 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1)c1ccc(F)c(F)c1 1234556727 WFVSVMSQODGJFC-SBUREZEXSA-N 445.510 4.885 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1264038608 UALMGBRMAPNEPN-HDICACEKSA-N 444.622 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2ccccc21 1286306368 SVLKXYSIJKGLBO-DWLFOUALSA-N 449.599 4.538 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](OC)c1ccc(F)cc1 1286365649 FCFFSEUWQUNSBI-FQEVSTJZSA-N 438.572 4.872 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)Oc1ccc(F)cc1 1286365753 IPURZXOQJPIVIJ-IAGOWNOFSA-N 438.572 4.807 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCOC1CCCCCC1 1286422904 CNPVJKTUPLCQQA-UHFFFAOYSA-N 441.579 4.696 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccco1)N1CCCC1 1286452189 DOUHGMNEKLXVFZ-JOCHJYFZSA-N 449.624 4.768 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N(CC)CCC 1286532890 NYJISYAUWFMCQJ-UHFFFAOYSA-N 428.172 4.853 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(CC(C)C)c1C 1286584087 XAEKKKDPVHZCIB-FGZHOGPDSA-N 442.652 4.808 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCS2)CC1 1286656495 ZBCNBYCPMHWDKM-IBGZPJMESA-N 428.602 4.650 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3[nH]c(C)c(C)c3c2)CC1 1286657355 XVZPFMJWAXJSLJ-IBGZPJMESA-N 437.588 4.551 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@@H](C)C1 1286741645 BJBYUSNJFSRCPT-UGKGYDQZSA-N 431.540 4.726 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)C1 1286814255 OMRNZOHBOPMMMN-AVRDEDQJSA-N 449.020 4.574 30 10 IJEE Cc1nc(C)c(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@@H](C)CC#N)s1 1290373834 CCMUIAMNCXKXLY-KGLIPLIRSA-N 440.642 4.991 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 1291913818 ZWMPVWQXDRZZFV-IHRRRGAJSA-N 446.432 4.825 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@H]1CCCCO1)C1CCCCC1 1298187055 FDQBURHJKHDXAG-JOCHJYFZSA-N 437.588 4.847 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@H](C)[C@H]1C 1300373369 XHRZMOAEDMDFJU-QZTJIDSGSA-N 430.643 4.713 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@@H](C)c1nccs1 1300391238 KHNSJFZFWRRXBZ-OAHLLOKOSA-N 431.512 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCC(F)(F)C1 1300572550 WWASPVFHZBEMIA-IBGZPJMESA-N 426.511 4.632 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1csc(CC)n1 1300606195 IPIOAONUVWVLMZ-INIZCTEOSA-N 439.654 4.853 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1CCC(C(F)(F)F)CC1 1300633228 FAPCYKGNNXAFPF-UHFFFAOYSA-N 448.533 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCC1 1300788107 RHFUOQVPHNJSIO-SQJMNOBHSA-N 435.616 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1300876916 SSPACFSLHSNNDA-HDAAZOAOSA-N 430.618 4.938 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1N1CCCC1 1301048052 VIUFCVGYBAKWKI-UHFFFAOYSA-N 428.005 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCc3sccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301159125 VSKMAJJCAKRJHO-XMMPIXPASA-N 444.645 4.935 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301209030 JMLDNLSMNWDPLS-QGZVFWFLSA-N 443.020 4.904 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301231716 NCOMRWCJTNACFF-KRWDZBQOSA-N 442.951 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCOc1ncccc1Cl 1301339077 GDCHJDMHBUJENM-UHFFFAOYSA-N 448.958 4.737 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCCC1 1303063136 BHHOWKARDOUNDG-UHFFFAOYSA-N 434.588 4.668 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(=O)OC 1303687466 QOKXCQYHEOOJEU-AZUAARDMSA-N 446.341 4.583 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C 1304731012 GUMNLZVBNCBJFU-VWLOTQADSA-N 431.588 4.557 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 1307501711 STOQJMZUIMCLOD-RBUKOAKNSA-N 432.033 4.683 30 10 IJEE Cc1ccc2c(c1)O[C@H](C)CN2CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1307518641 GXCTYYGNKHHVPY-GOSISDBHSA-N 428.536 4.559 30 10 IJEE C#CC[C@H](NCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 1307632123 HEXWSPOJTIJYGM-BDYUSTAISA-N 437.543 4.727 30 10 IJEE CCCOc1ccc(C(C)(C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 1309432549 AACVLOGCPYAICN-UHFFFAOYSA-N 426.460 4.579 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)c1 1310303303 SSQNKYGWUVUANQ-UHFFFAOYSA-N 432.430 4.613 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1310373931 DKRKQBNOXVMKOZ-INIZCTEOSA-N 431.305 4.697 30 10 IJEE C=CC[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)C1 1311343201 DCGQZCIVWXNFSE-GCJKJVERSA-N 433.552 4.925 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)c1 1312520121 DMHRSJWYIADFJC-IBGZPJMESA-N 430.321 4.670 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(Br)ccc1C 1352318111 MQFCELAILDUYNF-UHFFFAOYSA-N 442.126 4.883 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1F 1354566844 BZNRYTFDXHWYKQ-UHFFFAOYSA-N 435.430 4.718 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc(F)cc1C)c1ccc2c(c1)OCCO2 1355190893 VJYVABATFQPPDC-UHFFFAOYSA-N 434.467 4.712 30 10 IJEE N#Cc1sccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1356253801 IFYWHXKGSFIHIG-SFHVURJKSA-N 427.982 4.864 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2coc3cc(C)ccc23)c(C(=O)OCC)c1C 1357805990 LDLFMIOIZPOLIJ-UHFFFAOYSA-N 441.505 4.812 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1 1358007259 MRHLMIYFUVWBMQ-UHFFFAOYSA-N 427.479 4.978 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc(C(C)(C)C)cs1 1358897174 UXRKOXWFSHUNPW-GOSISDBHSA-N 437.613 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(C)C 1359067366 KSXAMOGSZUPNSV-OAQYLSRUSA-N 431.378 4.754 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@@H](SC)C1 1359135397 BZMLTFMUSSORFZ-OAQYLSRUSA-N 444.645 4.789 30 10 IJEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1359149728 HCSNFWKJFVYCNL-QGZVFWFLSA-N 426.870 4.895 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2(OC)CCC2)CC1 1359173329 CKLNAKFSLNHGFO-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1359188356 MCHXJCKZYGSEAK-VQTJNVASSA-N 443.636 4.887 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359198948 GLKXIOKQJZSMRY-QUCCMNQESA-N 432.515 4.908 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359210756 GMTBPMKGDZNXGL-YCRPNKLZSA-N 437.371 4.602 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359212352 JEQSDGARTMGWOV-LJQANCHMSA-N 425.577 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1OCC(F)(F)F 1359269749 ODLMXDFPBZPRCO-UHFFFAOYSA-N 443.473 4.816 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1=CCCCC1 1359280189 HWHIXLLHHUDXHC-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CCC(F)F 1359338938 MWGHGNZLWICDGN-UHFFFAOYSA-N 437.379 4.780 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1359342012 MULQPRJZYNOPQF-AZUAARDMSA-N 432.590 4.520 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2C)c1 1359975232 RUWCVKXBWPGENJ-IIBYNOLFSA-N 432.973 4.640 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 1436683746 AHKDVTAEXUJRDT-HYBUGGRVSA-N 448.588 4.643 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)ccc1Cl 1436900560 QCWNHRHTCBSRGC-OKZBNKHCSA-N 447.000 4.838 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1OCC 1443148663 AVDNTAOWFAWHRJ-CQSZACIVSA-N 447.757 4.822 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1COc2ccccc2[C@@H]1OC 1458826464 LLSITHYNXADYAS-CTNGQTDRSA-N 443.956 4.937 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2cc(C)cc(NC(=O)OC(C)(C)C)c2)c(OC)c1 1460026622 KIUADLORWXEWFD-UHFFFAOYSA-N 440.540 4.774 30 10 IJEE C#Cc1cccc(CNC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)c1 1460890944 XKDDZUHMIYGUMR-UHFFFAOYSA-N 447.332 4.542 30 10 IJEE CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[C@@H]1c1ccccc1 1463253033 DQLHLVUBJRWITJ-KXBFYZLASA-N 433.371 4.525 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCCCOC)c1ccc(F)c(F)c1 1463550638 DYKOLBMHNLUGEC-FQEVSTJZSA-N 445.915 4.629 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)c1 1465627087 QOQXZIQWEOHHQD-OAQYLSRUSA-N 433.474 4.922 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1470490671 NWTDHSSRLSQORS-GJZUVCINSA-N 441.616 4.997 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CC)[C@@H](O)c2ccccc2F)cc1OC 1474026573 GCXRTCMBQQVYIP-ICSRJNTNSA-N 438.337 4.763 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccc3c2OC(F)(F)O3)cc1OC 1474222701 HDSXRFQOIGIWDN-UHFFFAOYSA-N 442.256 4.634 30 10 IJEE C#CCN(C(=O)N[C@H](C)CCc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1477263071 VYUCLEDXEWABDA-UTKZUKDTSA-N 441.369 4.939 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)OC 1496591933 GPTQYGVCAFZHCO-UHFFFAOYSA-N 425.577 4.560 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1CCc1sccc1C 1504441707 AFJGEWJIARYNQB-KRWDZBQOSA-N 441.626 4.930 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1507570402 NZWWNVCDUKRRLE-PKTZIBPZSA-N 433.600 4.724 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507659711 DBATYSZILQYVCH-DVKRWUGUSA-N 448.611 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1Cc1cscc1C(F)(F)F 1507667196 OVASTJCWXBQTKH-UHFFFAOYSA-N 432.446 4.676 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC(C)(C)N1CCC[C@H](C)C1 1507700271 PHDRMXNEVPMPIL-FQEVSTJZSA-N 425.596 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N(CC)CC 1507765092 XSMLWSQRAPBAQL-OSWQYVSFSA-N 439.673 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)N1CCC[C@@H](C)C1 1507770315 MPODZFXREBJHRW-JIPXPUAJSA-N 433.644 4.680 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1507874192 YPUTUWAUPPBDAO-HNNXBMFYSA-N 426.870 4.620 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2CCN(CCC)CC2)CC1 1507888206 KLINSELHWUFYEG-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C(C)C 1507955021 USBLTWISEWFQDJ-FQEVSTJZSA-N 431.625 4.984 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C)C1 1507959480 PXCIVNSKUYZUAW-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1507968331 RKWCSJDDKRHVIG-VQTJNVASSA-N 445.633 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@H](CC)NC(=O)OC(C)(C)C 1508013033 IVLQVCQWFISCOE-IBGZPJMESA-N 425.577 4.735 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)C1 1509402801 DOMDNJWOYHHMIY-FQEVSTJZSA-N 441.023 4.706 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1 1509949369 CORDNHMDAIGXMI-PKOBYXMFSA-N 444.624 4.567 30 10 IJEE CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1513458962 DTTLFIKRMAVACM-HXUWFJFHSA-N 448.546 4.775 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C)c1ccc2c(c1)OCO2 1521284496 QVZKIEMNMVXSJU-LEWJYISDSA-N 435.520 4.765 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 1524186753 XPGBYNYPSPSRHD-UHFFFAOYSA-N 430.917 4.691 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)C1 1524878548 BIBSGIHDTPGXBZ-FGZHOGPDSA-N 425.573 4.519 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCCC1(C)C 1524930560 HFGJRYDPXXOINA-JOCHJYFZSA-N 432.630 4.847 30 10 IJEE CCOc1c(Br)cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1OC 1525761559 CYHJWPWTWCIRLY-SFHVURJKSA-N 429.314 4.535 30 10 IJEE C#C[C@@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1528496898 GORLVFQQJOEHDU-LJQANCHMSA-N 443.341 4.829 30 10 IJEE C=CCc1cc(CNC(=O)COc2ccc(Cl)c3ccccc23)cc(OC)c1OC 1528662638 YORNXWDVRSBZFL-UHFFFAOYSA-N 425.912 4.934 30 10 IJEE C=CCc1cc(C(=O)NC(C)(C)Cc2ccc(Br)cc2)cc(OC)c1OC 1529684576 FYXXQJGFJYESDL-UHFFFAOYSA-N 432.358 4.946 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(N(CC)CC)CC1 1539094279 NJCODFRUAIFNSM-LJQANCHMSA-N 444.023 4.796 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)S[C@H](C)C1 1539103145 PBMLGQCTOGRNAB-RTBURBONSA-N 436.581 4.861 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCCN1CCC[C@H](C)C1 1539558112 ARAURQLUAPHMBN-HFZDXXHNSA-N 437.607 4.512 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCCC)CC1 1539682154 OBCUOMFYBIBHJF-NRFANRHFSA-N 425.577 4.509 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(CC)CC1CCC1 1539729461 IXULACVFRMFKCH-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1539872087 YMQDYIDTCKELSE-ZJSXRUAMSA-N 437.632 4.576 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@](C)(O)C2CC2)CC1 1539881975 AWRUCDUOSPBTPK-SANMLTNESA-N 438.616 4.933 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H]1CC 1540029143 NCQUCMASXMUGCY-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](SC)C1 1540043066 WHFDNSUBJQMPHY-XUVXKRRUSA-N 436.666 4.511 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCSC1 1540153204 AUQHZTIWEABYHJ-NRFANRHFSA-N 447.029 4.860 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1540158637 NEAZBHKZCISMMC-QQMNAOGKSA-N 430.955 4.857 30 10 IJEE C#CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)C[C@H](C)C2 1540364337 JYALRYUSADWWJD-PJCCXHTNSA-N 426.516 4.738 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccs2)CC1 1541597968 GXZGBUBUHXHLHH-UHFFFAOYSA-N 448.640 4.678 30 10 IJEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)sc1C 1542047590 DWUGIRUSMVUPJX-UHFFFAOYSA-N 448.621 4.873 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(C)cc2OCC(F)(F)F)cc1OC 1543990768 RMKCCSWHTJAGMQ-JXMROGBWSA-N 435.442 4.839 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1546069072 CRUMIDWJNNQQRI-JXFKEZNVSA-N 449.507 4.798 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ncccc1OCc1cccc(Cl)c1 1558945931 HPWCHEZRHRTDMD-UHFFFAOYSA-N 448.910 4.933 30 10 IJEE C=CCn1c(SCC(=O)c2nccn2C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1559307297 BABQLZVGAYEECK-AWEZNQCLSA-N 442.610 4.521 30 10 IJEE C#C[C@H](NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1)c1ccc(Cl)cc1 1584689644 MKWAEVKQXHOZSP-FQEVSTJZSA-N 429.969 4.534 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(I)cc1Cl 1584863669 KDQGRMNLCSXEBS-HNNXBMFYSA-N 425.697 4.862 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](CCC)NC(=O)NCc1ccc(F)cc1 1586882568 STHYZTCKOYHQTR-SFHVURJKSA-N 437.968 4.723 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCn1ccnc1C 1587592594 DVKVAGSFOCXWLE-QGZVFWFLSA-N 448.571 4.866 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1587718579 IYFFZWJKHWERMI-BJLQDIEVSA-N 426.630 4.796 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1csc(Br)c1 1587755235 VKJXDFIOVKKOTN-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 1587933626 DAWXHDBNOOZYEO-UHFFFAOYSA-N 431.677 4.625 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](CC)C1 1588983670 BIDAFILLSBIJDL-PMACEKPBSA-N 444.670 4.733 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(CC)C1 1589421592 RYGAMIDNHKWIKX-IBGZPJMESA-N 425.321 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCCCC1 1589687400 DNYWDIGKFVGDKN-UHFFFAOYSA-N 425.621 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCCO[C@@H](C)C1 1594477971 LIPZBRVNFUJPGT-INIZCTEOSA-N 433.394 4.925 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H]1CCCCO1 1594793054 FRNZLZUDJCQIBC-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN1C1CCCCC1 1594857470 JTVYDKQPLVGNSB-CTNGQTDRSA-N 441.595 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCc1sc(C)nc1C 1595195935 FMQCNHQYVHPBQI-UHFFFAOYSA-N 430.581 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1595707540 XGTNRYNDGIQNDO-RDGPPVDQSA-N 430.980 4.583 30 10 IJEE C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)c1nccs1 1611510107 CHACIEKJLHQJGI-HNNXBMFYSA-N 426.977 4.989 30 10 IJEE CN1c2ccc(Br)cc2N(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1(C)C 1617645323 GEYGCQBPUCUHCI-UHFFFAOYSA-N 438.329 4.606 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3c(Cl)cccc3-n3ccnc3)cn2)cc1 1622864330 AKPWSAUQBOTLMB-UHFFFAOYSA-N 444.882 4.906 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCCOCC1 1624042332 OLZOAPHUDJHTRY-CLOONOSVSA-N 448.563 4.545 30 10 IJEE C[C@@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 1625326877 BPHUPDMJEZBUFO-IERDGZPVSA-N 433.508 4.618 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2ccccc2F)s1 1626095743 JGDXLRUWENGUIT-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)cc1 1626767926 GHAIGOPDBBAGFX-DEOSSOPVSA-N 437.927 4.676 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(CCc3ccccc3)ccc2O)ccc1OC 1627826693 HBYWPRQQMDIJOP-QFIPXVFZSA-N 444.531 4.797 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 1628527390 DEJGECBVPJCDBR-MOPGFXCFSA-N 440.569 4.721 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 1630275210 YXPZDJRAUUTSQA-UHFFFAOYSA-N 436.961 4.624 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CC(c2ccc(C)c(C)c2)=NO1 1634896183 QAVLIKHOOGNLAB-GOSISDBHSA-N 432.442 4.810 30 10 IJEE C#C[C@@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)c1ccc(F)cc1 1636547818 ICWOFEKGHXOBGZ-OAQYLSRUSA-N 431.552 4.617 30 10 IJEE C=CCC[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC 1636821703 IGMRYQGLKIUXIM-IBGZPJMESA-N 434.319 4.852 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@]3(CO)CC(C)C)c2C#N)C1 1642956053 GHEIMUQMSPKBOB-CJAUYULYSA-N 445.673 4.972 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1644215448 XHRYOPOXDRHAGC-DLBZAZTESA-N 425.451 4.527 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1650973012 YJMZXMOMNWXHAY-OAHLLOKOSA-N 438.380 4.818 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H]1CCCCN(Cc2ccccc2)C1 1651171023 KBBQPCDHHTZMDE-NRFANRHFSA-N 441.413 4.853 30 10 IJEE C#CCN(c1ccnc(Cc2ccccc2)n1)[C@@H]1CCOc2ccc(Br)cc21 1651531488 YXPVFMNMFIGJPW-HXUWFJFHSA-N 434.337 4.793 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C#N 1653613960 CFICSQMUHVBSMN-KRWDZBQOSA-N 434.009 4.827 30 10 IJEE Cc1ccc2nc([C@@H]3CCCN(CC(=O)N(CCC#N)c4ccc(C)c(C)c4)C3)[nH]c2c1 1654045872 AAIVXVVKUJWNSA-OAQYLSRUSA-N 429.568 4.614 30 10 IJEE C#CCN(Cc1c(C)nn(C(C)(C)C)c1C)[C@H]1CCOc2ccc(Br)cc21 1657513724 LMNUGQMXJQHDLB-FQEVSTJZSA-N 430.390 4.976 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3c([nH]c4ccc(OC)cc34)C2)cc1 1658661509 SIGJSSRSAQVTJF-UHFFFAOYSA-N 444.535 4.581 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 1659226129 LHCLALLIZUJNPS-UHFFFAOYSA-N 449.551 4.916 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)c1ccc(Cl)cc1F 1663868934 WOVORDZBQDNKKQ-OAHLLOKOSA-N 441.780 4.786 30 10 IJEE C=CCCC(C)(C)CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 1664865341 CUGZYTJTDKMEQE-LOSJGSFVSA-N 440.653 4.875 30 10 IJEE N#Cc1ccncc1N1CCN(Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CC1 1664878827 HQSPJQHAKZCHKN-UHFFFAOYSA-N 440.881 4.999 30 10 IJEE CC1(C)CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 1669880557 CPGBSLAIAXPVRQ-QGZVFWFLSA-N 449.477 4.615 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 1672210173 QQPFIXOTIOHVDI-CYBMUJFWSA-N 447.329 4.668 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4cc(Br)cc(F)c4C3)cc21 1673311409 HTHRBNCQWFIYIY-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](c1ccccc1)C(C)(C)CO 1678355822 FWQSYOBZGXFPCU-LJQANCHMSA-N 433.346 4.895 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1679251827 GOTJWNHRTIFQER-IYZJKTGWSA-N 428.573 4.663 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 1686161103 AXYXUTFLJDFQEO-CABCVRRESA-N 427.998 4.935 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1F 1690250898 MTXGMELBWOUSAV-KNQAVFIVSA-N 426.561 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(CCC)C1 1690257845 WEVXUPHCLNPFSB-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1690348854 CYHDSURZSYKAEO-OAQYLSRUSA-N 443.016 4.911 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1690412210 IGDUBDCLSUTMJV-DEOSSOPVSA-N 435.660 4.948 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC(C)C)CC1 1690454044 RSJBOKRLCHGOND-UHFFFAOYSA-N 436.398 4.786 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CCC1(O)CCC1 1690570042 UEIFGPDXOQGNHW-UHFFFAOYSA-N 441.938 4.630 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(CC2CCCCC2)CC1 1690681155 HVELUVSJUZDEFK-UHFFFAOYSA-N 437.632 4.717 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1CCCCO1 1696782646 GWFOAZCDOHPROT-NRFANRHFSA-N 435.597 4.906 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CCC[C@H]21 1705532135 GWOHXCRDZIYTLJ-PWRODBHTSA-N 441.620 4.575 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(N(C)C)CCCCC1 1705556085 KYKRMOSRDZKPJF-UHFFFAOYSA-N 437.632 4.623 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705617889 LAMWMHNLYFQFSB-VXKWHMMOSA-N 439.673 4.706 30 10 IJEE C#CCSCCn1c(N2CCC(OC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1705664901 FHINDAYPVGBVLM-UHFFFAOYSA-N 438.641 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCOC(C)C 1705668882 WIOQNMOPNSYULO-FDDCHVKYSA-N 430.980 4.879 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccn1 1705689597 SADMSNKQXYXYHU-UHFFFAOYSA-N 438.782 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1Cc1ccnc(OCC(F)(F)F)c1 1705713839 VJYWXRVCESKVMZ-UHFFFAOYSA-N 431.462 4.732 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1705763629 ZIARRJMCOGICKK-MIZPHKNDSA-N 440.588 4.788 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1705802401 KSPCXNJSOQHYLC-NRFANRHFSA-N 442.579 4.994 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)c1ncc(C)s1 1705839201 QXQHMUGIKMFCBA-OAHLLOKOSA-N 427.574 4.543 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1(CC)CCOCC1 1705860070 NGVJQCUCDIPWBU-UHFFFAOYSA-N 430.556 4.544 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCO[C@H](C)C1 1706462112 BQGOUPIZWFLPBJ-CTNGQTDRSA-N 427.568 4.589 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCC2(C)C)c1C 1706980742 HGDNGFHQLLWCMF-NJDAHSKKSA-N 437.588 4.590 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2CCC[C@H]21 1722479751 HJEPPEGYCIMMRF-CZUORRHYSA-N 437.769 4.895 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1722481983 CZTGLMLYQAQCOY-HXUWFJFHSA-N 444.421 4.555 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(OC)CCC(C)CC1)C1CC1 1722645312 IFTYMTXCLMWEJJ-UHFFFAOYSA-N 448.409 4.786 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CCCC(F)(F)F 1722660787 GULCAQVAKURUBD-UHFFFAOYSA-N 433.453 4.938 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@@H](F)C1 1722676204 VMZWMEBGBGZNQQ-IEBWSBKVSA-N 439.491 4.820 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)CCCS1 1724043922 CJTAZSWGLOUYTI-DNVFCKCGSA-N 431.650 4.612 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)[C@@H]1C 1726626549 CKOXBLLJQBOKFK-HUUCEWRRSA-N 427.961 4.727 30 10 IJEE CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nc(C)cs1 1728459390 BSJZLBCTAIEWHX-MRXNPFEDSA-N 436.585 4.534 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCc1nc(C)c(C)s1 1729987899 GBQFZHOKAOBPHO-CYBMUJFWSA-N 444.992 4.662 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCSC2)CCCCC1 1730640189 AJGLFQLWWWDFDP-OAQYLSRUSA-N 439.629 4.745 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(C#N)CC1 1740569022 YCUQWWOZSWAUEB-UHFFFAOYSA-N 426.362 4.641 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)[C@@H]1C 1740582792 IJTAMJCOGVGTFT-KBPBESRZSA-N 437.382 4.590 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H]1CCCCO1 1740584973 MMIMGYISPQTYLC-HXUWFJFHSA-N 435.597 4.796 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C(CC)CC)N(C)C 1740603378 QOYAZPUFESPGAX-XLIONFOSSA-N 427.662 4.567 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)CCCC 1740713194 HVFKATMRGFWDDJ-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)s1 1740751506 LALZOAUBPHJOHM-PBHICJAKSA-N 439.423 4.843 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cc(C)cs1 1740757645 WSLYJKVJCOQQOV-SIKLNZKXSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1740761434 NVWDXUNUHYVCDI-DVRVPYBTSA-N 446.542 4.977 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(COC)CCOCC2)CC1 1740833678 VZVSGKBLYNKOLJ-QHCPKHFHSA-N 438.616 4.666 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1740913593 PRPHKRCXUFMQKY-QFIPXVFZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C 1740918023 JEWJHIYDTOTJNL-DHLKQENFSA-N 431.584 4.518 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1CCCCO1 1740924770 CKBCEJOENPKNMP-QGZVFWFLSA-N 449.368 4.984 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC2(C)C)C1 1740973755 CXXCDNJXDGAHAF-FUHWJXTLSA-N 431.378 4.535 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C)CCC2)C1 1740974230 CXUQIQIXWPMOEK-SFHVURJKSA-N 445.405 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC2CCCCC2)C1 1740974951 KNALGJIAUPNWJO-FQEVSTJZSA-N 445.995 4.514 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)CC(C)(C)C1 1740999038 WOILPJCTTZZRKY-QGZVFWFLSA-N 430.618 4.754 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCCS1 1748828817 MWSPOEXBACHVHZ-FQEVSTJZSA-N 447.633 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1749119914 YHSKPQRTTOJSPN-HUUMMWPTSA-N 443.680 4.864 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)c1nc(C)cs1 1749154175 NZKSNCMEUOYRRR-HNNXBMFYSA-N 449.584 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)c1nc(C)cs1 1749154176 NZKSNCMEUOYRRR-OAHLLOKOSA-N 449.584 4.565 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749175327 DUPWOYASSJRMIW-WDSOQIARSA-N 426.561 4.562 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@@H](C)C1 1749215805 GCJICUFSQCDJOM-HUUCEWRRSA-N 439.423 4.844 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCC[C@@H]2C)CC1 1749334593 FNMIHOQIDYMZEV-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1749354296 MTZPTFYFRUNLJR-ZWKOTPCHSA-N 444.551 4.549 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCC(F)(F)CC1 1749596320 VPPGQVPTHXQURL-UHFFFAOYSA-N 443.542 4.901 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCS1 1751247367 AEKBMLFYIPRUCG-UZLBHIALSA-N 429.565 4.583 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760132409 IHLZUWXIGZILEP-JXFKEZNVSA-N 443.389 4.515 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cccs1 1760147929 ILGDDBUSBZEDSG-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)=C(C)C1 1760158337 MDBORSFAXNZGEF-UHFFFAOYSA-N 429.362 4.580 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(C)CCCS1 1760197217 XYZWTXFXYKASFN-SANMLTNESA-N 443.620 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@H](F)C1 1760211514 JAMQPTDGMILMNU-FPOVZHCZSA-N 447.583 4.978 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCC(C)CC1 1760227572 ICTOFZBAZLHYIL-UHFFFAOYSA-N 433.644 4.720 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760241394 YKSXETWWBSDECG-SQJMNOBHSA-N 436.531 4.973 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC1COC(C)(C)OC1 1760342907 PRCROXWXLNMVEI-MRXNPFEDSA-N 430.618 4.543 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1760347340 SBZRFGAAUYRCNA-IBGZPJMESA-N 437.613 4.879 30 10 IJEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1760383085 GZJQSMOPIPZHQG-BZSNNMDCSA-N 430.515 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(C)(C)OCC)CC1 1760384045 ICLDIGUMMGCYHF-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCC[C@@H]2CC)CC1 1760399472 OEZDNBUNJWLIMQ-FQEVSTJZSA-N 429.012 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1cccc(F)c1)C1CC1 1760407572 HWOFVAMZGUQKSZ-UHFFFAOYSA-N 448.546 4.836 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1760417555 FJOFWBKEPXIOEB-HSZRJFAPSA-N 441.583 4.687 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1760472151 XIJBAIUFNCZDDJ-SFHVURJKSA-N 441.576 4.648 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)cn2C)n1CC(=C)C 1760483478 QSZOXJJNJMKVLY-UHFFFAOYSA-N 444.352 4.954 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(OC)CCOC1 1760485749 PDCJUUHQVHMVBO-QFIPXVFZSA-N 444.988 4.658 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCCC2)n1CCc1cc(Br)ccc1F 1761362237 AUGOEPRWVWHUKD-AWEZNQCLSA-N 434.357 4.818 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCCCCC2)nc1 1761541961 FGKLYCRASKNHHV-RUZDIDTESA-N 435.620 4.529 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H]2CC)o1 1765621697 ANQKKEVCXBBOFH-LAUBAEHRSA-N 448.571 4.651 30 10 IJEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(C)CC1)c1cccs1 1766887203 DZTYJVULBRAMMD-HXUWFJFHSA-N 434.613 4.808 30 10 IJEE COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(Br)cc3C)nc2c1 1858204685 KAUWKBNJAOAPKV-UHFFFAOYSA-N 442.338 4.917 30 10 IJEE Cc1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccc([N+](=O)[O-])cc2)cc1 1859413915 LNRKUTNYFIWTIG-UHFFFAOYSA-N 437.459 4.939 30 10 IJEE CCN1CCc2nc3ccc(Cl)cc3c(C(=O)Nc3sc4c(c3C#N)CCC4)c2C1 1859653650 ZBIZXYPZSMOQMZ-UHFFFAOYSA-N 436.968 4.940 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)Nc2nc(C(=O)OC)c(-c3ccccc3)s2)c1C 1860304674 XJZIMFMDRBPELF-UHFFFAOYSA-N 438.553 4.557 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862382932 HZHQGWYMEDXJAP-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862412892 PMSYZFSXCNXYMW-JOCHJYFZSA-N 445.425 4.620 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 1862468503 QFJHKLCCHRDHLG-XIKOKIGWSA-N 432.289 4.965 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482735 SKJPOWFPSBSDOX-ICSRJNTNSA-N 445.437 4.771 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862531392 MUWCSDJOQZNBSM-RUZDIDTESA-N 442.559 4.932 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862537111 ODEUQZDYTDKRNN-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(N(C)C)cc1 1862559484 PFFUKPSEHQPPPY-OSPHWJPCSA-N 441.531 4.674 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 1862611988 YMTDQCGKLDMJPB-IBGZPJMESA-N 446.286 4.505 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 1862725711 PQEXJNCOOJWFEC-QHCPKHFHSA-N 447.918 4.968 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(O)c1 1862725824 SPXWYPNPWNBVPN-HSZRJFAPSA-N 429.472 4.753 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862759742 XQASCHNYIRVSED-QVKFZJNVSA-N 438.480 4.760 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 1862836490 QWRXBPHELJFNDC-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(F)c(F)c3)C2=O)c1 1863078473 QNEQIFKUOVVVCM-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)Cc1ccc(Cl)cc1 1870147595 XWLOBQDCJKJJIZ-UHFFFAOYSA-N 443.894 4.553 30 10 IJEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN(CCO)Cc1ccccc1 1870380590 NIWNBNLKGHPMGG-UHFFFAOYSA-N 446.591 4.533 30 10 IJEE C=CCOc1cn(CCCOCC)c(CNc2ccc(Br)c(C)c2)cc1=O 1870809956 DVEBPCFGWLCDOE-UHFFFAOYSA-N 435.362 4.523 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1870908667 GDUXDDGJRVLBBC-UHFFFAOYSA-N 446.547 4.952 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 1871423647 WFUXZSNXCZYPBK-WXPVLTPUSA-N 435.476 4.825 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4OC)c3C)C2=O)cc1 1871459498 XMEADSYNTKRCRL-UCQKPKSFSA-N 445.471 4.646 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(O)cc2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871501879 WCUXFOVFEZMCGP-UHFFFAOYSA-N 444.583 4.876 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872130673 DSMKGQLMJYTAEU-QFIPXVFZSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872479075 LDKBFIVOEYVNAX-QHCPKHFHSA-N 428.598 4.850 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 1872490234 LXHYQCIDHSKXNV-NRFANRHFSA-N 434.989 4.879 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccc(C)c(C)c1 1872707855 KWGNIMJUXIMXHG-UHFFFAOYSA-N 430.549 4.574 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2ccccc2F)C1=O 1873191851 KPXCNFMMCKXSRG-UHFFFAOYSA-N 428.463 4.783 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2ccc(OC(C)C)cc2)C1=O 1873377608 CUIIOQJXFWOKCA-UHFFFAOYSA-N 434.536 4.887 30 10 IJEE N#Cc1nc(-c2ccc(Br)o2)oc1N/N=C/c1ccc(Br)cc1 1873461951 GJRVRTDKYFJMKQ-UFWORHAWSA-N 436.063 4.777 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCCc3ccccc3)ncnc21 1873607310 PBTSRQHIXGFOIN-UHFFFAOYSA-N 427.508 4.533 30 10 IJEE CCOc1ccc(OCc2nnc(SCC)n2/N=C/c2cc(Cl)ccc2O)cc1 1874235527 NPIQMUZOLONONB-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(OCC)c1 1874239153 RNUVZEAWINQICU-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(O)c(OC)c1 1874247646 OPFSQUBYOVDKJK-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874265309 RFXUSDNEKDFMIT-SSDVNMTOSA-N 443.916 4.969 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874267896 VPCLLJNTKSZPOH-CIAFOILYSA-N 429.889 4.579 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c(OCC)c1 1874321447 RYMNRCIHBGJFPE-ZVHZXABRSA-N 440.569 4.963 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)ccc1O 1874460699 BNSIPRFKGKIODX-YSURURNPSA-N 440.422 4.715 30 10 IJEE COCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Br)cc1 1874469363 ASKLMZJZOMDKSX-LPYMAVHISA-N 445.386 4.712 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C(C)(C)C 1874481043 KVTWXVGEPYWFFV-PCLIKHOPSA-N 449.580 4.753 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(F)c2)o1 1874481802 ONXVKVRYZMUWLM-FSJBWODESA-N 430.505 4.659 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874486511 WBPOIGTUTYUYEI-BUVRLJJBSA-N 429.634 4.617 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCC2)cc1 1874493831 GOFPSAZHBCUWNC-MFKUBSTISA-N 449.580 4.866 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCCO)c(OCC)c1 1874589228 AHYSGDNKHULRGS-JXMROGBWSA-N 434.916 4.803 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC 1874593617 SPNWTGPBZCNUCM-DHZHZOJOSA-N 439.552 4.936 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc2c(c1)OCO2 1875133319 OWFJLWWBYAKPAJ-UXBLZVDNSA-N 446.455 4.856 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1OC 1875150452 NZOXURJMFKWTJM-BJMVGYQFSA-N 432.428 4.548 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@H](C(C)C)N(Cc2ccccc2)C1 1922075000 SFONGMGVSSQIEK-PKTNWEFCSA-N 436.640 4.789 30 10 IJEE C#Cc1ccc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1951385006 DZZBEYKHBQOHTE-VWLOTQADSA-N 425.484 4.592 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCC1 1984694540 LEVKNQQOHCAAEB-DEOSSOPVSA-N 445.563 4.892 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1991570813 FYAXFKWJDYGLHS-KUHUBIRLSA-N 435.487 4.715 30 10 IJEE C#CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(NC(=O)OC(C)(C)C)ccc1N 2025295158 STTPHOCFQYLHQM-QHCPKHFHSA-N 433.549 4.549 30 10 IJEE C#CCN(C[C@H](NCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2035956314 RPKLLHUGFXZQJJ-AWEZNQCLSA-N 433.749 4.763 30 10 IJEE COC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2053612833 QMJUCVJDGXZUSH-UHFFFAOYSA-N 430.456 4.720 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(F)c2)C(C)(C)C)c(I)c1/C=N/O 2079089430 DGWTYDWDZZRTSS-CTJICSLTSA-N 443.304 4.941 30 10 IJEE O=[N+]([O-])c1c(Br)nn(Cc2cc(F)ccc2C(F)(F)F)c1C(F)(F)F 2079163077 ALWXMBZUGLRUGT-UHFFFAOYSA-N 436.081 4.779 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079904821 UMRBIEBUPNBJGY-KRWDZBQOSA-N 449.336 4.973 30 10 IJEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1N 2079955411 AIMWDQBEKKJVBY-ZDUSSCGKSA-N 439.331 4.818 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2110504279 QUGOGGRJKIYCIE-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1c(F)cc(Br)cc1F 2114281627 PNSGUIGCGJBBCK-WFASDCNBSA-N 431.277 4.708 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)Cc2scc(C)c2Br)C1 2126627181 HXCFNQPZNJNRPD-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE C=CCC1(C(=O)N(C)Cc2cc(C)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2137603191 RZSVWXFQUWAOER-UHFFFAOYSA-N 443.407 4.591 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2174561652 FRPLAVMROHUOJL-MRXNPFEDSA-N 436.394 4.790 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2cccc(Br)c2C#N)CC1 2174807460 BYMZAUWPZHBLAR-GOSISDBHSA-N 434.378 4.937 30 10 IJEE CCC[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 2180957121 NKQQLPMXAIRNMQ-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2cc(Br)ccc2C#N)c1 2181100275 HMCUUZMOIIURGW-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@](Oc2nc(Cl)c(C#N)s2)(C(F)(F)F)CC1 2190582929 WGPUYPGPRZAPQA-DXPFQBAHSA-N 425.860 4.815 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Nc1cc(Br)cc(F)c1C#N)C2 2193309688 LTMBOEWYBBYDKX-RGXXSHLXSA-N 442.304 4.750 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235728446 MHRMETZYEMEWFH-UXHICEINSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC[C@H](N)C#Cc2ccccc2Br)CC1 2235747115 NMSSSRLLHGIGMO-AVAKVYKDSA-N 435.406 4.992 30 10 IJEE C=CC[C@]1(COc2ncnc(Cl)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2272094236 ZGLGPJDLFMEGOA-SFHVURJKSA-N 446.773 4.865 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2296267343 RXXPIHGHJXBXRE-ZCNNSNEGSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](N)C#Cc1ccc(Br)cc1)c1ccccc1 2296279139 LSPUEDWVDAMICS-PMACEKPBSA-N 429.358 4.784 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@@H](N)C#Cc3cccc(Br)c3)cc2C1 2296282562 YEOIEDCUJQGVHH-FQEVSTJZSA-N 427.342 4.751 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2296309199 ROPASAZZTPIBRQ-PKOBYXMFSA-N 433.390 4.568 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(F)cc2)no1 2296589039 WXRBVCMDSGCNNP-NRFANRHFSA-N 436.439 4.536 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2305320469 VEMUIUXKFXIDRK-BPYKYCOYSA-N 428.573 4.698 30 10 IJEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1OC)C3 2321993663 UFYKRBSVMRTRAI-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2323603449 FNLCMMIONDYVFF-UHFFFAOYSA-N 432.453 4.770 30 10 IJEE CN1CCC(N(C)Cc2c(O)ccc3c2OC(=Cc2c(Cl)cccc2Cl)C3=O)CC1 2324034980 BUWUNTJPPPKVQE-UHFFFAOYSA-N 447.362 4.841 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCC 2324706482 PFNWDLHWHTZEQG-UHFFFAOYSA-N 431.916 4.548 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1c(F)cccc1Cl 2326763614 HDXDABKDUJUMCV-UHFFFAOYSA-N 446.935 4.984 30 10 IJEE Cc1cccc(NC(=O)N(Cc2ccccc2)CC(F)F)c1B1OC(C)(C)C(C)(C)O1 2327690020 PJAJLQMEQQZNJU-UHFFFAOYSA-N 430.304 4.593 30 10 IJEE C(=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1)c1ccc2c(c1)OCCO2 2330491600 FIWGERBBKSWFJA-UHFFFAOYSA-N 442.544 4.815 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2C)c1 2330919344 BNDARLZDZRSWKS-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE CCSc1nnc(CCOC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331267032 ZBIUMJAJSKDGSL-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2331460621 KZFCZPKVCUAMIG-UHFFFAOYSA-N 434.009 4.553 30 10 IJEE Cc1ccccc1COc1ccc(C=Nn2c(CC(C)C)nnc2SCCCO)cc1 2331468367 CORLPLLAYUIMBY-UHFFFAOYSA-N 438.597 4.721 30 10 IJEE CC(C)c1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331708384 HSONXFDDKKMLAR-UHFFFAOYSA-N 431.905 4.843 30 10 IJEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585571 QRZZEWGFDIHVTH-IBGZPJMESA-N 444.381 4.822 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2360196526 SDQYOIBWCBMDSD-IHPCNDPISA-N 435.406 4.862 30 10 IJEE C=CCOc1cc(Br)c(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCC 2085912 FHYBBVMXPMRZGQ-GZTJUZNOSA-N 428.282 4.757 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2 14550304 JQTXPLHFMUZTDR-SGIRGMQISA-N 436.577 4.884 30 10 IJEE CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28053072 DIWVNHWYFWBXRO-HJPURHCSSA-N 432.476 4.751 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)c2c(OC)cccc2OC)c(OC)c1 34955428 FDPBRZUDBADDRE-NTCAYCPXSA-N 448.471 4.836 30 10 IJEE C=CCN1C(=O)/C(=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 59038546 HOYAVLPKJNCADN-ISLYRVAYSA-N 426.950 4.957 30 10 IJEE CCn1nc(C(=O)N2CCCS/C2=N/c2ccccc2C(C)C)c2ccccc2c1=O 96545231 MHHAFLVGNRCYCT-OCOZRVBESA-N 434.565 4.807 30 10 IJEE CCc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 103113842 BNKGMXORMSBJJE-SVDMMLMDSA-N 425.912 4.503 30 10 IJEE Cc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)cc1 103226693 MDJWOBLRNRCBCW-AGGMBTAESA-N 432.407 4.669 30 10 IJEE N#CCCCOc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)c1 108733372 QGVOAAJUMKVYPY-GOTSBHOMSA-N 431.536 4.703 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@H]2c2ccco2)cc1 170096343 CULDRJSULYIJJO-QHCPKHFHSA-N 431.488 4.672 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC)c1OC 170127296 JIWLCUWGPHSALP-QFIPXVFZSA-N 431.488 4.845 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)ccc1Cl 170157171 QSRILYVOILYUEC-LJQANCHMSA-N 441.892 4.899 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccn1)c1ccc(Br)cc1 170173150 HSIRSTSEAQWEPC-LJQANCHMSA-N 435.277 4.627 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(OCC(C)C)c1 170219016 JICZMTGSZYQLQQ-NRFANRHFSA-N 438.480 4.618 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1OC 170227111 IENXNTFBGKAYGP-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170258810 SCLFMUHPFZXPJA-DEOSSOPVSA-N 441.483 4.760 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2CCOC(C)C)cc1 170265191 FUFILPVSCXJBBA-QHCPKHFHSA-N 437.536 4.569 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3ccco3)oc12 170283783 UOJJCUFWHOHAHK-HXUWFJFHSA-N 431.400 4.523 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C)o1 170310316 WYHFABDBKKMDOM-QHCPKHFHSA-N 432.520 4.661 30 10 IJEE O=[N+]([O-])c1ccccc1C=NOCc1ccc(CON=Cc2ccccc2[N+](=O)[O-])cc1 254296531 UQMZZLWCTFBSKX-UHFFFAOYSA-N 434.408 4.604 30 10 IJEE CCOc1ccc([C@H](CNC(=O)c2ccc(C#N)o2)c2c[nH]c3ccccc23)cc1OC 427982346 QQAJRUQNDGAXQM-IBGZPJMESA-N 429.476 4.602 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H](C#N)c1ccc(OCc3ccccc3)cc1)CC2 475599930 CKXCQWPUGGGDSI-HYBUGGRVSA-N 428.536 4.598 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 504469371 QCRXBVYHXAHLGH-UHFFFAOYSA-N 425.488 4.833 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2ccccc2Cl)CC1 508957073 WJXOETKOQVJDOT-REWPJTCUSA-N 449.986 4.689 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 549693066 MOTLYVIIMQGDPU-QHCPKHFHSA-N 441.535 4.666 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2[nH]c3ccccc3c2C1 571962089 ZGGDFVIDDSITPS-UHFFFAOYSA-N 431.565 4.809 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)[C@@H]2CCCN[C@H]2C1(C)C 703233700 HOCHMYFQCDKITP-CBGDNZLLSA-N 434.378 4.861 30 10 IJEE C=CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)c1ccncc1 734461198 XALGTGIDQJWIFL-KEWFZMHCSA-N 433.533 4.541 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740059929 HLXMOGHNXZCCBD-HXUWFJFHSA-N 430.533 4.967 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)c2cc(N)cc(Cl)c2Cl)n(C2CCCC2)c1C 747020409 FWLNSEUSQVLODJ-UHFFFAOYSA-N 449.338 4.776 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)c1 762441977 XDVGWLMMDYSETJ-UHFFFAOYSA-O 432.912 4.509 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 764971022 PZGQGVHUYMCRLJ-UHFFFAOYSA-N 437.594 4.701 30 10 IJEE C=C(C)C[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(Br)cc1Br 767705228 ZJRBRACYIKDAHO-GHMZBOCLSA-N 433.140 4.684 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C)c2)c1)c1ccc(Cl)cc1 810472049 BNWMTQYBQICGOB-HSZRJFAPSA-N 432.907 4.657 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 812174819 BIQHUNFGEQQBLU-HSZRJFAPSA-N 445.567 4.931 30 10 IJEE Cc1c(N=Cc2cc([N+](=O)[O-])ccc2N2CC[C@H](C)C[C@H]2C)c(=O)n(-c2ccccc2)n1C 1084641149 BEVZORAWSZHCSW-ZWKOTPCHSA-N 447.539 4.768 30 10 IJEE C#CC[C@@]1(C(=O)N2CC3(CCCC3)c3cccc(F)c32)CCCN1C(=O)OC(C)(C)C 1127945361 CTGIYIVGXBVKHV-VWLOTQADSA-N 426.532 4.777 30 10 IJEE COc1ccc([C@@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C)c1OC 1129491112 BVYXUECQBBDSCX-GOSISDBHSA-N 430.504 4.954 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)C(C)(C)C 1133753197 UOMNYROXVNQTTF-UHFFFAOYSA-N 429.303 4.668 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 1134708941 RXBMHSSMGIYHBM-UHFFFAOYSA-N 438.405 4.957 30 10 IJEE C=CCC[C@H](C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)c1ccccc1 1150443512 OGMNLPGHYHOEEZ-NRFANRHFSA-N 430.470 4.626 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cc(OC)ccc2Br)cc1OC 1177780392 WLKFEIJMKBTVID-UHFFFAOYSA-N 426.738 4.974 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 1186532898 JPLOATHXAZLVLW-JOCHJYFZSA-N 444.984 4.595 30 10 IJEE Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)c1C 1187228614 FEHDJVFRUHDIIF-SFHVURJKSA-N 437.334 4.603 30 10 IJEE C[C@H](c1nnc(SCC(=O)[C@H](C#N)c2ccccc2)n1-c1ccc(Cl)cc1)N(C)C 1188004455 BWAVQZVVIXYENE-DNVCBOLYSA-N 439.972 4.512 30 10 IJEE C[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C(F)(F)F)cc1F 1188547199 HMKRUARDLKNSFZ-JTQLQIEISA-N 429.357 4.773 30 10 IJEE C=CCOc1ccc(CN(Cc2cc(C(=O)OC)cc(C(=O)OC)c2)C(C)(C)C)cc1 1192052211 CDCLCVNDGPVGCI-UHFFFAOYSA-N 425.525 4.625 30 10 IJEE C=C[C@H]1CCCCN1Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 1193943391 WBWALFPIVDOBMD-KRWDZBQOSA-N 436.581 4.703 30 10 IJEE N#Cc1cc(NC(=O)NCc2ccc(N3CCOC3=O)cc2)ccc1Oc1ccccc1 1203838626 ATSACSFAJAVHGX-UHFFFAOYSA-N 428.448 4.629 30 10 IJEE C#CCN(C(=O)Nc1ccc(F)cc1I)[C@@H]1CCCc2ccccc21 1215591378 UHBNQIAUKUSTNN-LJQANCHMSA-N 448.279 4.975 30 10 IJEE C#C[C@@H](NC(=O)N(C)CCOc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F 1252479431 MWXYTCDTCJCGGY-GOSISDBHSA-N 428.813 4.893 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2COc3ccc(Br)cc32)C(F)(F)F)cc1 1272443644 MMBUZMDYUGQALL-NVXWUHKLSA-N 425.200 4.753 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1286273464 FCLWNIQNDAFBTF-LYXWCMDISA-N 442.991 4.549 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(C(C)C)C(C)C 1286362346 WRMDMYJGSLUHDQ-HXUWFJFHSA-N 446.039 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOCC(C)C 1286420501 HYYGCIZGVKTZLS-HXUWFJFHSA-N 438.641 4.657 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)[C@H](C)CC 1286423626 NLAAUOIUBFPPBC-OPAMFIHVSA-N 433.383 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1c(C)nn(Cc2ccccc2)c1C 1286523368 UALJBJBHEIFKFI-HHHXNRCGSA-N 444.627 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1CC1(S(C)(=O)=O)CCCC1 1286566894 KAQYKFCJCGHYIU-OAQYLSRUSA-N 444.645 4.580 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286668861 VRQBZCGMIAFUHX-FFZOFVMBSA-N 448.995 4.524 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286679140 KUZQDWQLZZESLT-RTWAWAEBSA-N 437.588 4.619 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1286683117 JLSBENUUBIGYHQ-IRXDYDNUSA-N 448.036 4.548 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@H](C2CCC2)C1 1286685911 WUXISZXVOMSXHF-QGZVFWFLSA-N 448.409 4.645 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1286699408 CALOBDMDPMWETR-SFHVURJKSA-N 433.641 4.963 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](CC)c2ccccc2)n1CC(F)(F)Br 1286754205 MYTBNXOYHWCEFV-INIZCTEOSA-N 425.321 4.986 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC(=C)Br 1286762812 NCGXQDYGSZDHDW-IBGZPJMESA-N 431.378 4.663 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CCN1CCCC1 1286763871 WVUYLFPORDLJQH-UHFFFAOYSA-N 425.964 4.522 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CC(C)(C)NC(=O)OC(C)(C)C 1292642605 ZPGFBTQEFCLEKP-UHFFFAOYSA-N 443.357 4.796 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C 1298076597 VPZPTDNIFLYMKT-QZTJIDSGSA-N 440.625 4.889 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1300371910 ZTZGROPFFSXALM-INIZCTEOSA-N 427.390 4.920 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1300391842 GPQNPGNHRDZJAF-GOSISDBHSA-N 438.963 4.902 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)C 1300556256 GGPBKIPSGXTDDT-HXUWFJFHSA-N 442.991 4.576 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@@H]1C(C)C 1300564321 CPFNIKGOQXRJLG-DYESRHJHSA-N 445.394 4.776 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCC(F)(F)C1 1300586593 FKXSBWOQIIAZJL-FQEVSTJZSA-N 440.538 4.556 30 10 IJEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1300767228 SXJCWGGYAXDLRG-SFHVURJKSA-N 431.565 4.574 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCn2nc(C)cc2C)CC1 1301067213 YDWRWPAPVJQAQV-HXUWFJFHSA-N 438.551 4.617 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1301166308 UAESXWCZBAHREQ-QFIPXVFZSA-N 426.568 4.754 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2ccnn2)CC1 1301202402 IUIXQBXGWRBKEU-NRFANRHFSA-N 449.603 4.509 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301379473 MBNFLXFPYNQLLY-MBSDFSHPSA-N 446.954 4.644 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1Cc1cccc(Br)n1 1301384433 PSPFXJIGUGBZEH-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1CC(C)(C)N1CCc2ccccc2C1 1301412364 ANOBYYZZMLFOBR-UHFFFAOYSA-N 433.600 4.506 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(C)C)cs1 1301414430 CLRNMADMGXZNOM-UHFFFAOYSA-N 437.569 4.958 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1301458427 NVTKTJPVURNUOS-UHFFFAOYSA-N 439.604 4.589 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](SC)C1 1301531466 NCKXJYSVJGAURD-JOCHJYFZSA-N 449.624 4.599 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](C)c2nccs2)C1 1301540017 YURFEAQVZBRMJN-CEWLAPEOSA-N 437.613 4.862 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(C)s2)C1 1301543533 ZYVCSUBNIWUSLD-INIZCTEOSA-N 432.952 4.937 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1 1305319038 BWGAQGIYMBTNSF-XDHUDOTRSA-N 435.597 4.844 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC[C@H]3C[C@H](C)O)c2C#N)C1 1307735687 HKUCIAOSHJQRJV-KSZLIROESA-N 431.646 4.725 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 1310314616 CLWWXIDHTWIGSP-HXUWFJFHSA-N 429.442 4.655 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 1311002377 GMSNRGFJDDQIRO-UHFFFAOYSA-N 442.491 4.564 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1)c1ccccc1 1312334733 SMQJQEXBJUXMHT-KNQAVFIVSA-N 445.401 4.915 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccc(Cl)cc1 1312937017 MHQCJAGAJICLHW-PXNSSMCTSA-N 438.890 4.793 30 10 IJEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc([C@H](C)CC)cc3)CC2)CCCCC1 1350013078 HUGBJGUDWRTFKE-HXUWFJFHSA-N 432.630 4.560 30 10 IJEE C=CCN(C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1nc(-c2ccccc2)cs1 1352764319 RYGRXKPCVDERCC-OAQYLSRUSA-N 447.560 4.988 30 10 IJEE C#Cc1ccccc1CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1353533560 GVMGADWWRFFGOE-QHCPKHFHSA-N 434.992 4.841 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(NC(=O)C3CC3)cc2)s1 1354407517 ACOPHIAUCILJER-UHFFFAOYSA-N 436.002 4.504 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1357940104 NWQWXLSOEDYIJX-LJQANCHMSA-N 430.545 4.784 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cccs2)CC1 1358906188 YQTNSOLXVCGSFM-UHFFFAOYSA-N 440.016 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359104232 ZJESHNCMLFCDCP-GGPKGHCWSA-N 426.527 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CN3CCCC[C@H]3C)C2)nnc1C(C)(C)C 1359104910 HIDVNEPYMHHLDG-ODAXIHTASA-N 443.680 4.648 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCc1nccs1 1359189895 XUWAKSSWUQBTOG-UHFFFAOYSA-N 431.556 4.885 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)Sc1ccccc1 1359232740 CUYIYWKOHFZVFE-AWEZNQCLSA-N 432.391 4.839 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359309344 PDIYKWLNXLSWLI-RBBKRZOGSA-N 434.588 4.751 30 10 IJEE C#CCN(CC#C)C(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12 1435273220 OYVNIBXXHQFNSY-HJWRWDBZSA-N 435.346 4.938 30 10 IJEE Cc1cc(Br)c(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1Cl 1435841273 FQKJXGBZNUHIDM-CQSZACIVSA-N 444.757 4.937 30 10 IJEE C=CCN(C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1435899477 HUZYIPFVCIDABO-RUZDIDTESA-N 445.563 4.600 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCC1(c2cccc(Br)c2)CCC1 1442065542 WJIPAYGHPBNFGZ-UHFFFAOYSA-N 430.342 4.874 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 1447756528 JMOZZGTVIGMJHR-UHFFFAOYSA-N 436.533 4.638 30 10 IJEE C=CC1(CC(=O)N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CN(C(=O)OC(C)(C)C)C1 1450824410 HQSQLWQTDVMTOV-VQTJNVASSA-N 428.573 4.504 30 10 IJEE C#CCN(C(=O)c1cc(Cl)c(F)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1455809540 DXBGHXKUMLNBRK-UHFFFAOYSA-N 429.319 4.607 30 10 IJEE C=CCN(C(=O)c1scc(Br)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1458996381 IAXGKPQCOMQKJZ-KRWDZBQOSA-N 436.371 4.622 30 10 IJEE C=CCn1c(SCC(=O)N2CCCSC[C@H]2C2CC2)nnc1-c1ccc(Cl)cc1 1463130094 UYEPGFDNSZFZII-SFHVURJKSA-N 449.045 4.621 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)cc1 1463921888 GXRVWBKTFPUKMT-UHFFFAOYSA-N 443.429 4.510 30 10 IJEE C=CCCCCCCNC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 1470102607 ZJASOLLLAPORKM-UHFFFAOYSA-N 433.040 4.773 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)C(=O)OC 1471895395 PAYVWZMSRFUDGQ-CJFMBICVSA-N 436.577 4.811 30 10 IJEE C=CCN(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1cc(Br)ccc1F 1473140549 INGXHENTHJABLG-UHFFFAOYSA-N 434.353 4.671 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2cc(F)ccc2Oc2ccc(F)cc2Cl)n1 1474488212 CKIYYNIRTJIMMA-UHFFFAOYSA-N 445.897 4.889 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C 1478553114 UCDSZCRVLAQQMO-FFZOFVMBSA-N 429.561 4.542 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)C[C@H](C)S1 1494235325 FQEJXCVILLPJDZ-KBPBESRZSA-N 430.002 4.910 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCC[C@H]1CCCCO1 1504094861 CVEDRDINIPDXRR-SJLPKXTDSA-N 431.968 4.552 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1scnc1C 1507577591 RLYHGCLQTRAUQQ-UHFFFAOYSA-N 447.564 4.932 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1C2CCC1(C)CC2 1507790325 FSFUNYXRUHWBKI-UHFFFAOYSA-N 431.378 4.904 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@H](OCC)C(C)C)CC1 1507882658 JGUPNJGEXPXLTK-QHCPKHFHSA-N 434.588 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCCCn1cc(Br)cn1 1507969951 ADLRMNIOQLVIIP-UHFFFAOYSA-N 449.784 4.660 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCC(F)(F)CC1)C1CC1 1507991416 WSHZOZHFCRUTMC-UHFFFAOYSA-N 432.515 4.943 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCC1CCCC1 1507999001 HTBZARXNWQUFQI-UHFFFAOYSA-N 427.556 4.770 30 10 IJEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1CCC(C(F)(F)F)CC1 1508041817 VABKHTMETYGAPS-DAWZGUTISA-N 430.515 4.527 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@H](c1cccs1)N(C)C 1511243956 FYHBZLZMPXBDSL-OAQYLSRUSA-N 434.613 4.748 30 10 IJEE C=CCC[C@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)c1ccccc1 1521476783 RBOWEMKNABYSGP-FQEVSTJZSA-N 443.385 4.664 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)Cc1ccc(Br)cc1 1523502016 BTYTUHILRRDYLJ-AWEZNQCLSA-N 447.325 4.757 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)c1ccc(Br)s1)c1ccc(Br)cc1 1525054426 NCJIUTJFFBQFEH-ZWNOBZJWSA-N 427.161 4.867 30 10 IJEE COc1cc([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)ccc1OCc1ccncc1 1525877158 FHRCELRZKKRMAB-RBUKOAKNSA-N 429.520 4.597 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(OCC)c(OCC)cc2Br)cc1 1526632078 JFNZSEMQJPTZDQ-UHFFFAOYSA-N 434.330 4.993 30 10 IJEE Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nnn1-c1ccc(F)c(F)c1 1526813989 FFUWAWUQOKBSEJ-UHFFFAOYSA-N 445.429 4.557 30 10 IJEE CC(C)(CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc2c(c1)OCCO2 1528515077 DHORDRROYYTEJY-UHFFFAOYSA-N 442.515 4.616 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C1CCCCC1)N(C)C 1538985581 BLGZJXHTIDBXIZ-LAUBAEHRSA-N 444.023 4.576 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC1CC1 1539052708 RSDRFNLBPBKXLM-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(F)(F)F)CC1 1539058506 FWOGOLMAZQAPEW-UHFFFAOYSA-N 436.478 4.545 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CCC1 1539066439 USKSCGJPUGOPIY-OAQYLSRUSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@H](C)C1 1539344742 IVQGGDJAELDJEI-IEBWSBKVSA-N 435.597 4.652 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](Oc2ccccc2OC)C1 1539559553 CGPGXYPFQZDVHH-KRWDZBQOSA-N 435.442 4.962 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C1CC1)N(C)C 1539566286 FKJKRSAIFLJVAZ-YIXXDRMTSA-N 449.643 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@H]1CCCCO1 1539644524 GNWRJHHANCSKGM-JOCHJYFZSA-N 439.604 4.899 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1539694655 GKYCPUORBUXEFO-RUZDIDTESA-N 440.588 4.716 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1539707921 RGBJVSDEFNWOAX-NRFANRHFSA-N 425.596 4.532 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CCCC2)C1 1539735952 RGULKXMCPDJALW-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1539860006 ZXIWFZIEIQATLQ-OALUTQOASA-N 428.602 4.551 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCC[C@@H]2CCCCO2)CC1 1539896791 RVJYJTPHXHQTQI-FQEVSTJZSA-N 428.552 4.748 30 10 IJEE C=CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)CC)c1ccccc1 1539938865 CLAYDYWYYDFMOJ-UYAOXDASSA-N 435.572 4.848 30 10 IJEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC(C)=C(Br)C1 1540014200 IYQJVZGYLFTCMB-UHFFFAOYSA-N 447.377 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(N(C)C)CCCCC1 1540058904 IJOXRRATKJRTCO-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1=CCCOC1 1540146471 BKFIDZKLLBHKNP-NHCUHLMSSA-N 442.629 4.798 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(C)cc1 1540153186 AOXHBAWEKLKBFX-UHFFFAOYSA-N 426.362 4.765 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 1540666142 VJBQCKZPVSMXGY-OAHLLOKOSA-N 436.858 4.580 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)NC[C@@H](c3c(F)cccc3Cl)N3CCCC3)on2)c1 1540770702 GXIIJFAVHBPTCL-FQEVSTJZSA-N 438.890 4.573 30 10 IJEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)c1cccs1 1542053465 DQXMUGAMXPGZIT-KRWDZBQOSA-N 431.569 4.740 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCC)[C@H]3C[C@H](OCC)C34CCCC4)n[nH]2)c1C 1543998083 TXTGGYNTTGUADN-VXKWHMMOSA-N 439.604 4.666 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccccc2Cl)n1 1545688640 GGVOOTGKRZNCFM-AWEZNQCLSA-N 425.316 4.500 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1557475770 VGIFQKWGHPLNKQ-QVKFZJNVSA-N 434.508 4.630 30 10 IJEE C[C@H](Nc1ccc(C#N)c(Br)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 1559260696 YWCBBLFPQYTWSF-LBPRGKRZSA-N 426.330 4.907 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1-c1ccccc1OC 1559323702 MZXZXCNTHIQPDE-HNNXBMFYSA-N 427.957 4.984 30 10 IJEE COC(=O)c1cccc2c1CCN(C(=O)Nc1ccc([C@@H](C#N)c3ccccc3)cc1)C2 1562174722 AOBFIFWYSRGYNO-DEOSSOPVSA-N 425.488 4.719 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 1562953061 APRMTDTUPRIITH-OALUTQOASA-N 440.956 4.638 30 10 IJEE C#C[C@H](NC(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)cc1F 1565002531 LFEXXWWFALIXSB-OFNKIYASSA-N 427.951 4.850 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1)c1ccccc1 1565651938 RAGKNTJFTQDYSJ-FQEVSTJZSA-N 436.581 4.582 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Cl)c1 1566267490 BQMSTWGHFUPKEK-RXVVDRJESA-N 428.363 4.992 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1Nc1ccccc1F 1566803929 BYWICTPFXBXFIT-LJQANCHMSA-N 429.467 4.954 30 10 IJEE C#C[C@@](C)(CC)NC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1569253506 HZPADYNQZIQDDI-FPTDNZKUSA-N 425.579 4.604 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C#N)CC1 1583829903 DFGBUSQNQSAXLN-VWLOTQADSA-N 443.547 4.622 30 10 IJEE C#CCN(C(=O)CCc1ccc(OC)cc1Br)[C@H]1CCCc2ccccc21 1585188803 GPNRKVVXYYSMMT-QFIPXVFZSA-N 426.354 4.930 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)N(CC)CC 1587575618 ZCBSDZBSYJRCQX-YLJYHZDGSA-N 425.964 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC[C@@H](C)C1 1587600405 YLDSQWYHQPCTQY-PMPSAXMXSA-N 431.378 4.610 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1587711568 AINVEORQZIBDHQ-UHFFFAOYSA-N 448.880 4.638 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 1587787752 QHMOLPCKBWUNQT-HZPDHXFCSA-N 437.371 4.581 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCO[C@@H]1C(C)C 1588186135 SVPJYINEYWHUTE-ILBGXUMGSA-N 444.623 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@](C)(O)CCC 1589242818 KXBRTNKDVVPHQP-FTJBHMTQSA-N 438.616 4.832 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCNc1ncc(Cl)cc1Cl 1589641070 FMCOONZEVYEXQV-UHFFFAOYSA-N 446.386 4.865 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC)[C@H](C)C1 1589708848 XRDBGCWNAZOLET-MOPGFXCFSA-N 432.012 4.795 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1593712273 XAWGYYGTAJSWCD-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[C@H](OCC)C(C)C)CC1 1594241332 NAWKBAFPCCUYOO-NZQKXSOJSA-N 440.588 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1594472285 BXXBKCQOAGVZFP-SFHVURJKSA-N 444.023 4.894 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1594559136 FQEAZAZIBVGMFT-MOPGFXCFSA-N 434.588 4.794 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1594744339 NNFWJYHBJWIJPU-UHFFFAOYSA-N 440.598 4.633 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCCC1CCOCC1 1595070509 BYNSDYNANPNWCB-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1595141348 FRGPGJATQJUOMH-UHFFFAOYSA-N 447.612 4.901 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@H]1C 1595243767 DWDNFXMOJTUBHQ-CABCVRRESA-N 430.350 4.520 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)c2c(C)noc2C)C1 1595701320 ZUSYRLRBAYNZMH-MGPUTAFESA-N 441.963 4.788 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1595901112 PVWRVNKBAZVDPI-AZUAARDMSA-N 425.602 4.663 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1CCc1nc(C(C)(C)C)cs1 1606965902 AXFCFYJQYHADML-SFHVURJKSA-N 444.649 4.545 30 10 IJEE Cc1ccc([C@H](NC(=O)COc2cc(Br)ccc2C#N)c2cccs2)cc1 1613844794 GDIYSVGCWBGAQL-NRFANRHFSA-N 441.350 4.975 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(F)(F)CC2)CCCC1 1619785034 GHDDXDRZOCIPKA-UHFFFAOYSA-N 429.515 4.649 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCC(C)(c2cccc(Br)c2)CC1 1622984840 CMKNUHCXKFNSJC-UHFFFAOYSA-N 428.330 4.915 30 10 IJEE C=CC1(CC(=O)Nc2cc3ccccc3cc2C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1634179398 RNTAZTLVZFXLMZ-UHFFFAOYSA-N 438.524 4.768 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1)c1ccc(Cl)cc1 1636552617 RIIMIOJUEXTGDQ-SFHVURJKSA-N 434.870 4.999 30 10 IJEE C=CCn1c(SCC(=O)N(C)CC)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1640603090 PBRWBFNSOOKTOU-MRXNPFEDSA-N 432.659 4.914 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)c1ccc(Cl)cc1 1642102995 JOPKZZBILMMDQA-MAUKXSAKSA-N 427.932 4.558 30 10 IJEE COc1ccc(N=c2scc(CN3CCC[C@](C)(C#N)C3)n2Cc2ccccc2)cc1 1645005314 FJKNGZTXSCKMBE-RUZDIDTESA-N 432.593 4.965 30 10 IJEE CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1CCC(=O)Nc1ccccc1C#N 1645874113 DHCJZGSMTGLIQN-QHCPKHFHSA-N 439.003 4.773 30 10 IJEE C=CCn1c(SC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)nnc1-c1cccnc1 1651711388 OEKAGAAYNVUKLL-QGZVFWFLSA-N 429.590 4.655 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 1657596110 GFZRZKVVHCXICO-NHCUHLMSSA-N 429.568 4.695 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 1658423145 IVXUNKQBNONZEA-GOSISDBHSA-N 446.588 4.629 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1661412240 DGJLERADBANRBP-UHFFFAOYSA-N 448.629 4.607 30 10 IJEE C[C@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 1661471042 GPWJJZFTIDDJHB-GFCCVEGCSA-N 439.762 4.888 30 10 IJEE CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 1661685579 AEGVNVREADZROV-UHFFFAOYSA-N 447.276 4.550 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC)c1ccc(Cl)cc1F 1663910328 NHELKMVCVGSSLQ-SFHVURJKSA-N 443.906 4.747 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC2(CC2)c2ccc(Br)cc21)C(C)C 1665701618 NSHPAHSHBBPAAH-HXUWFJFHSA-N 432.406 4.709 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1)c1ccc(Cl)cc1F 1667506056 DRSJVALPIVTEOP-QVKFZJNVSA-N 427.907 4.990 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(Br)cc1 1668411030 QOKKXSMNKZQDOM-ROUUACIJSA-N 447.304 4.642 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1)c1ccc(F)c(F)c1 1668689738 QXALYRFUSRIZSW-FQEVSTJZSA-N 449.475 4.792 30 10 IJEE Cc1ccc(Cl)c2ccc(NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)nc12 1670394218 FVKZBTTUNTVGCA-UHFFFAOYSA-N 433.943 4.854 30 10 IJEE C=CCC[C@H](NC(=O)N1CC(=O)NC[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 1670826334 CUXGLFQHBNYHKV-PMACEKPBSA-N 431.458 4.595 30 10 IJEE CCO[C@H](CCN(C)C)CNC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1672366870 CQSUQMBNKPTUGI-LJQANCHMSA-N 447.004 4.841 30 10 IJEE C[C@@H](NC(=O)Nc1nnc(C2CCOCC2)s1)c1ccc(-c2cccc(C#N)c2)cc1 1672405623 CHRJMTRYDPLFAE-OAHLLOKOSA-N 433.537 4.853 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 1673096619 FXCXVGXVRUHFHW-XLIONFOSSA-N 426.561 4.583 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)C(CC)CC)cc1 1673392799 HPIYLSOBSKDZAA-QFIPXVFZSA-N 429.586 4.792 30 10 IJEE C=CCCC[C@@H](C)NC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 1679434443 GRONIXIHFLLEOZ-OAHLLOKOSA-N 427.358 4.724 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 1681546599 NMWJGSGAXJXKHQ-GOTSBHOMSA-N 441.522 4.853 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Oc2cccc(Br)c2)CC1)c1ccc(F)cc1 1683497337 CNSJNERZPPUKOD-FQEVSTJZSA-N 431.305 4.516 30 10 IJEE C#C[C@@H](NC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCCCC1)c1ccc(Cl)cc1 1683675600 CWMFAEGTPYUXNT-LJQANCHMSA-N 433.980 4.883 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1689880014 OSWRANBLXZBKLD-QGZVFWFLSA-N 445.489 4.568 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@@H](C(C)C)C1 1689939932 HJWLGAZEJUYYLC-HXUWFJFHSA-N 430.643 4.570 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1ccc(Cl)s1 1690057654 FIZFFMAPJFAPEC-UHFFFAOYSA-N 441.988 4.564 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](C(C)C)C1 1690184188 FGNJTTJEMALEDV-NRFANRHFSA-N 426.630 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCC1CC1 1690238925 PHWWCEUYLVYNQM-LPHOPBHVSA-N 448.409 4.643 30 10 IJEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1690292648 IRENQNMJVCWMLS-GOSISDBHSA-N 428.989 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCCc2ccccc2)CC1 1690428120 FINHUENKBXVCRV-UHFFFAOYSA-N 448.615 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@@H](C)c2ccccc2F)nnc1[C@@]1(OCC)CCOC1 1690439548 IZNATOFWGYYNOZ-MHECFPHRSA-N 430.568 4.869 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690475240 KKDLGJVLNJBLFU-IAGOWNOFSA-N 432.410 4.593 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1692477191 IAJSAEOOXKKXHL-XMMPIXPASA-N 447.564 4.794 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)nc1 1696676436 HDGRFAUPMNJKQA-UHFFFAOYSA-N 443.599 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC1CCN(CCC(C)C)CC1 1705483427 UORYPVROXCZOEL-FQEVSTJZSA-N 433.600 4.907 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCC(C(F)(F)F)CC1 1705609787 QMJHEHIVHPUCJN-UHFFFAOYSA-N 434.462 4.502 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCc1nc(C(F)(F)F)cs1 1705611315 YCNDUMBCBZGSPB-UHFFFAOYSA-N 444.486 4.604 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1cccc(COCC(F)(F)F)c1 1705616237 ZPLSTEOBHIHITA-UHFFFAOYSA-N 448.514 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1 1705694675 DICCFWBULJBTPC-IRLDBZIGSA-N 433.581 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(SC)CCOCC1 1705719871 OAEAHPMHPATRDX-UHFFFAOYSA-N 444.645 4.789 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1705735148 KHSJZJHEGDLQHC-XZOQPEGZSA-N 440.588 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ncc(CC)s1 1705794059 UBSUXEZVFPSMRH-UHFFFAOYSA-N 430.647 4.891 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C=C)CC1)c1ccccc1 1705798084 JTHBVXGPGJNCSB-SGNDLWITSA-N 436.600 4.764 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1705807776 NZOMPNJLTKSMHZ-QFIPXVFZSA-N 428.024 4.943 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705813705 QTGHQJKUTLDLED-UHFFFAOYSA-N 447.583 4.646 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCC1(F)CCC1 1705860482 IUYBGCKXIPQYSD-UHFFFAOYSA-N 430.531 4.610 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCc1sccc1C 1705862859 YCTANNCXLTVWKD-UHFFFAOYSA-N 434.544 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCNC(=O)c1cccc(C)c1 1705863693 BOSBBCZROYQUDU-UHFFFAOYSA-N 437.613 4.568 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2sccc2C1 1705941864 ZAMLPWUYACUUJW-UHFFFAOYSA-N 442.610 4.506 30 10 IJEE CCCN1CCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1709798335 CVWDVAAJFSBZMQ-ZEVJAHDQSA-N 434.632 4.824 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC2CCCCC2)CC1 1722340022 KKYIHSTZKFAZBC-UHFFFAOYSA-N 449.643 4.590 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccccc1F 1722488278 FDTIQTGLYWPGCH-OAHLLOKOSA-N 430.325 4.509 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722546163 VSFPTEWXLDIPPF-CRAIPNDOSA-N 427.763 4.726 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1722596785 NIAQRWYOPWMZJF-UKILVPOCSA-N 445.611 4.877 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722601905 MINRBDCSSSUPGL-RTBURBONSA-N 443.592 4.942 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1722604513 CBFZWGCGTUXFPS-UHFFFAOYSA-N 425.939 4.975 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1722621716 CZPHTLCTMNDVSS-LJQANCHMSA-N 439.387 4.879 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](CC)N1CCCC1)C1CC1 1722647383 SZWVWKDKBHUEFD-LJQANCHMSA-N 444.421 4.737 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C(C)(C)C)CC1 1722685637 IBCQTQJWZALZNF-GOSISDBHSA-N 429.609 4.761 30 10 IJEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1723739244 HHUPKJNOTBGQBG-UHFFFAOYSA-N 427.599 4.568 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN(C)[C@H](C)CC)C1 1729257060 HIUXBPITYZMKSD-BVYCBKJFSA-N 440.661 4.657 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1scnc1C 1740599888 GZDWGSSNNRHVIV-QGZVFWFLSA-N 444.004 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCN1CC=CCC1 1740769252 VFNABQCWKPFGOT-UHFFFAOYSA-N 448.384 4.511 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740807471 BMFOGFXFAVSWHF-CQSZACIVSA-N 435.334 4.608 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2cnc(C)s2)CC1 1740821165 BSNHAKUIIOZYJU-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740858287 NJPBJHZQZZUSDI-HXUWFJFHSA-N 425.577 4.607 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@@H](C)C1)C1CC1 1740910920 ULAXCCCYCFDCEJ-RTBURBONSA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1 1740922442 HLQYANDFQFDTAD-UHFFFAOYSA-N 446.624 4.945 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1748656161 NCZUKCDMJLZPDG-UAGQMJEPSA-N 436.478 4.714 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CCCCC2)CC1 1749000017 JXILBKRUHXWOHJ-UHFFFAOYSA-N 444.048 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1cn(CCCC)nc1C 1749058936 SDPIPWBICMJHNL-AREMUKBSSA-N 430.600 4.853 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1749331370 ZBSVDAFZZUYHCO-OPYAIIAOSA-N 442.526 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1CC 1749354069 IAUBSOXJJFIAAY-LJQANCHMSA-N 429.996 4.843 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@@H]1C 1749448887 DIRAGCDHEBTFMC-GJZGRUSLSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCc1sc(C)nc1C 1749538897 PMXFIAMPOHLDOD-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1ccccc1C 1749551068 QOKLRKYRZFPPOF-IBGZPJMESA-N 448.596 4.709 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](F)C1 1749553914 WZWYOUJUZZKYMT-RTBURBONSA-N 428.581 4.532 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCS1 1751247357 AEKBMLFYIPRUCG-OXQOHEQNSA-N 429.565 4.583 30 10 IJEE Cc1csc(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@@H](C)C#N)n1 1751749643 HPDKTOYTDCBRRT-KGLIPLIRSA-N 426.615 4.541 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1760275498 YNOHBEQRJQUSGH-DNVCBOLYSA-N 436.984 4.528 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760304205 MEDUONVAEKGSKF-IUODEOHRSA-N 429.284 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](F)C1 1760337372 HGCMRTVFPUEICV-AQNXPRMDSA-N 449.615 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1c(C)coc1C 1760340014 GMHIHCAMCWMFDU-KDURUIRLSA-N 443.592 4.709 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)[C@H](C)CC)CC1 1760393470 RIXQGPGKVGCLIS-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCC(=C)C)CC1 1760398309 TUBSLHSRWIWGDX-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1760399385 KKJNVAMJXJBMAO-UHFFFAOYSA-N 437.975 4.672 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1760475020 QRFNBDDBKOORSM-KRWDZBQOSA-N 445.633 4.588 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2sc(C)nc2C)C1 1760537969 ADEUBNDNIIGXPD-LJQANCHMSA-N 444.004 4.696 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@H](CC)C1 1760560249 QQSOAUMKHKMPGP-RBUKOAKNSA-N 437.613 4.725 30 10 IJEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)C[C@H]1C 1766986704 HONDLRSGTNWMKA-RTBURBONSA-N 448.640 4.775 30 10 IJEE CCCCC(=O)Nc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 1860137224 WTDONDAOZGLHAF-HNNXBMFYSA-N 425.554 4.891 30 10 IJEE COc1ccccc1-c1csc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 1860807638 SHYDRBZEQKEDGQ-UHFFFAOYSA-N 427.576 4.971 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1862100438 MQGNEYCFCIQVAO-MHZLTWQESA-N 444.579 4.891 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)c1 1862413613 HHEUACCCUJGBQW-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1O 1862448991 ZYMPOVXBPJNVHZ-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(O)c2)cc1 1862490203 PULASMKOLCLIMU-XMMPIXPASA-N 443.499 4.796 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccccc2Br)cc1 1862523012 XQHOIFZRQWGOFB-IBGZPJMESA-N 444.325 4.836 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862547159 NXYYVTLSLXHYAD-NYHFZMIOSA-N 434.492 4.850 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1c(F)cccc1Cl 1862573596 GOSXOXWZZYDKLO-FKIZINRSSA-N 447.890 4.873 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2)cc1 1862590249 FCTOEQBGTCHVRN-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862596545 IOSCWXMMTIMJRA-QHCPKHFHSA-N 429.472 4.569 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1Cl 1862632753 WMGMMUVTCXXYTH-LJQANCHMSA-N 448.302 4.956 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCN2CCCC2)cc1 1862674091 JKRIDWXZWXVHDS-HSZRJFAPSA-N 436.527 4.588 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862703354 FUGHAOLVNZMWSE-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 1862836439 OFHNDAXUEQVXRH-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(F)cc3Cl)C2=O)c1 1862931302 RCCCBDNFNDECJY-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1863705300 JWDQSYCTSIGVDM-HXUWFJFHSA-N 438.527 4.882 30 10 IJEE CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(C(C)(C)C)n2)C[C@H]1c1ccccc1 1868333830 VNEUBPQUCOKYTD-QFIPXVFZSA-N 426.568 4.882 30 10 IJEE CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870164969 ASQRKYQGGCNDGN-UHFFFAOYSA-N 449.576 4.940 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CSc1nccn1C 1870252818 KBGOITWDZQXYFZ-UHFFFAOYSA-N 436.364 4.946 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN2CCC(O)CC2)cc1=O 1870409026 IFBXLMUOHJFHFA-UHFFFAOYSA-N 447.019 4.856 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870410868 IZCSHWDZFAFZMO-SFTDATJTSA-N 444.591 4.994 30 10 IJEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870810525 HBUBUFVCTJNODT-UHFFFAOYSA-N 425.872 4.635 30 10 IJEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(F)c(F)c1 1871050915 HJONPRHFTYIRHI-UHFFFAOYSA-N 426.463 4.555 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871345323 HQZPIITYODLKNG-OYKKKHCWSA-N 447.462 4.681 30 10 IJEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(OC)c(OC)cc1OC)C3=O 1871346767 WHUINJHJXGDUTO-JJFYIABZSA-N 439.508 4.589 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc(O)c2CN1CCCc2ccccc21 1871395493 UFHSRBQPLZJNMA-UCQKPKSFSA-N 428.444 4.869 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871438749 POYJFNKPVWKZNZ-MSXFZWOLSA-N 427.456 4.831 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCOCCCC)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871503924 KETDRGYVYGGKNW-UHFFFAOYSA-N 438.620 4.958 30 10 IJEE C=CCN(CC=C)c1nc(=Nc2cc(C)ccc2OCC(C)C)nc(N(CC=C)CC=C)[nH]1 1871735621 MVQYGIBTHVHTAK-UHFFFAOYSA-N 448.615 4.737 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871868199 GNWJFWRIGDQOJU-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871889265 KIUJAFJBILTZHH-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871990757 KDLBDUWWJFUICD-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1872113691 CRIVZJBNSACZIN-ZDUSSCGKSA-N 446.878 4.563 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c(OC)c1 1872785977 YDURSAXIYQBHSO-MRXNPFEDSA-N 442.924 4.908 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2cc(F)cc(F)c2)C1=O 1873108055 DFFWDNMSZBWRLB-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE C[C@H]1CCCC[C@H]1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873245430 ILNYUHAZUKZRNV-RNODOKPDSA-N 439.437 4.746 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1)n2CC=C 1873662988 RWPBWRORSDBIKQ-UHFFFAOYSA-N 446.511 4.519 30 10 IJEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1O 1874218190 ZIELAXVQODUCOI-FOKLQQMPSA-N 446.960 4.923 30 10 IJEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874346862 KDHGRSQKUFVPGY-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE O=C(Oc1ccc(/C=N/n2cnnc2SCc2cccc(F)c2)cc1)c1ccccc1 1874537856 AMENTXLYOGRGBB-VULFUBBASA-N 432.480 4.811 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2Cc2ccc(C)cc2)ccc1OCc1ccccc1 1874561527 WANQXXKCGMFXBU-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)C(C)C 1875094206 HCRYGTHDBIEDRD-BQYQJAHWSA-N 448.269 4.823 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c(OC)c2)c(OC)c1 1875178118 USUOSLXGTRZTIU-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)[C@H]1CCCO1 1875192162 WWPSEWVTHMBGAM-XJCKULRNSA-N 432.472 4.838 30 10 IJEE C[C@H]1SC(=NCc2scc(Br)c2Br)N[C@H]1C(F)(F)F 1882706979 XYWYQMCXNCNYBN-SPGJFGJESA-N 438.132 4.785 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCSc3ccc(OC)cc3)cc21 1891749258 KCWYURYZJNJJQQ-UHFFFAOYSA-N 440.565 4.754 30 10 IJEE C#CCN(C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C1CCCCC1 1902346999 KUAJCNNQRMDYGC-UHFFFAOYSA-N 442.559 4.852 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]12[C@H]3CC[C@@H](C[C@H]31)[C@H]2NC(=O)OC(C)(C)C 1910249939 GSNDWHQMXYBOGK-JCTQJILASA-N 426.601 4.677 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)c1ccc(Br)cc1F 1922075249 VFHZNMPNHOQVAA-FGZHOGPDSA-N 436.365 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)c1ncc(Br)cc1Br 1922102868 JLFFUSFCXOLNFV-MRXNPFEDSA-N 426.152 4.640 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 1924670047 JBIAQHZOIBSZKY-MOPGFXCFSA-N 430.511 4.973 30 10 IJEE C=C(Br)CCNc1ccc(I)c(Br)c1 1956013187 SQMJPYQBKGRLTC-UHFFFAOYSA-N 430.909 4.764 30 10 IJEE C[C@H]1CN(c2ccc(C#N)cc2Br)C[C@H](C)N1C(=O)OCc1ccccc1 2006297543 VNROOHBQXABJQV-HOTGVXAUSA-N 428.330 4.557 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035467740 GOFPWKXZQIBAKP-LOSJGSFVSA-N 436.596 4.907 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2sncc2Br)C1 2062977751 CUTMADFZUWBSBK-HNNXBMFYSA-N 430.412 4.807 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cccc(Br)c2Cl)NC)C1 2077085660 LGPVRFKZFLMPSW-HNNXBMFYSA-N 429.786 4.847 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)c(Br)c2F)C(C)(C)C1 2118195596 XJOSVWNJAUNCJB-ZDUSSCGKSA-N 426.330 4.732 30 10 IJEE C=CCC1(C(=O)Nc2cc(Br)c(F)cc2C)CN(C(=O)OC(C)(C)C)C1 2124500222 XLPJDELQDUPKGB-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1c1cc(Br)c(C#N)cc1F 2174814299 GTBOATTZVBQIQT-JKIFEVAISA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)cnc2C#N)CC12CCC2 2176864047 YFWXPRTZCHFWEN-CQSZACIVSA-N 435.366 4.697 30 10 IJEE CC(C)(C)C[C@H](CC(=O)Nc1cc(Br)ccc1C#N)NC(=O)OC(C)(C)C 2181048806 ZSTGAFVUHGLCCE-HNNXBMFYSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)C(=O)Nc1cc(Br)ccc1C#N 2181098340 MKKBTXHXNORYPP-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE C=CC1(Oc2ccc([N+](=O)[O-])c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2229389246 IOMBQRFGOHVELG-UHFFFAOYSA-N 427.295 4.692 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@@H](N)C#Cc2ccccc2Br)CC1 2235747625 RJFBSJXELMAMBQ-JGCRXCKMSA-N 439.369 4.551 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2268191054 COQUVSZFKFABLV-MNZLEMJZSA-N 442.365 4.506 30 10 IJEE C=CCC1(COc2ncc(Br)cc2F)CCN(C(=O)OC(C)(C)C)CC1 2272229365 RZWKFVGWABDMKA-UHFFFAOYSA-N 429.330 4.955 30 10 IJEE C=C(C(F)(F)F)[C@@](C)(OCCCN)c1cc(Br)c(Br)s1 2293267468 ZCLPRKPSTKLWJU-LLVKDONJSA-N 437.119 4.972 30 10 IJEE COc1ccc([C@H](O)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1 2296229975 OQZRLYHOERHMOT-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@H](N)C#Cc2cccc(Br)c2)C1 2296267880 XWNXOPOOHIUXAE-RTBURBONSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@@H](N)C#Cc2cccc(Br)c2)C1 2296274273 SYVUQSPFDQDDDI-LQBOVUBWSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@@H](O)C#Cc1ccc(Br)cc1 2296278073 ZXYQSAISNLFSDX-ICSRJNTNSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@H](N)C#Cc1ccc(Br)cc1 2296300666 LBERGTCNAAWQML-MOPGFXCFSA-N 433.390 4.698 30 10 IJEE CCC[C@@]1([C@@H](N)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296305058 OFQHOLDBWCHFJJ-SIKLNZKXSA-N 435.406 4.945 30 10 IJEE COc1cccc(N=C2Sc3nc4cc5c(cc4cc3CN2C[C@@H]2CCCO2)OCO5)c1 2297706564 MHAVYPIRFFCSFP-IBGZPJMESA-N 449.532 4.747 30 10 IJEE C=CCC(CC=C)[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2301015083 KSIWXUTXQGBFNK-ZEQKJWHPSA-N 427.633 4.902 30 10 IJEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2317308280 JHDLLDOFVAHFKY-INIZCTEOSA-N 431.386 4.830 30 10 IJEE CC(C)[C@@H]1C[C@@](N)(C#Cc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321505007 OIYGYVFRVGKFNV-GMAHTHKFSA-N 441.369 4.565 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)c(OC)c1 2322884551 LJMCARRNTNMOMD-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)Nc1nccs1 2323118414 RXKYPHOBSJJKCL-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2COc2ccccc2)c1OCc1ccccc1 2323557461 OJDRQAWJIVQHBT-UHFFFAOYSA-N 446.532 4.616 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c(OC)c1 2323770169 JFLOMUPZGWFCIF-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1C 2325918982 ROMSTJDQTBBGMT-JOCHJYFZSA-N 445.592 4.653 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccccc1OCCC 2328288454 OEDCCTALPHTVAO-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(Br)cc1 2328574412 DXGBXSYZVYDDIY-UHFFFAOYSA-N 445.386 4.829 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 2331017941 WXUTYRUMQIYZFW-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1Cl 2331436406 XUCMAJJYIJRJTH-UHFFFAOYSA-N 445.951 4.882 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2OC)c1 2331450506 RBPDRNINURUPNS-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331668712 OQWKGEQJRFNQNL-UHFFFAOYSA-N 428.389 4.551 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339585163 LFPHUFXUWXGRSP-XUDAUXSOSA-N 444.381 4.798 30 10 IJEE Cc1cc(CN[C@H](CN(C)Cc2ccccc2)C(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343648187 NBTIZRPBEPUCDX-RUZDIDTESA-N 436.449 4.540 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2364628973 DJNZHRGOGJXQSP-IEBWSBKVSA-N 439.394 4.805 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)nc2)OC1(C)C 2365105672 XUSIIANDOIJFSH-HHHXNRCGSA-N 445.416 4.829 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@H](C#N)c1cnn(CC(F)F)c1 2369061078 VTTMTKAFNPMDPZ-HNNXBMFYSA-N 441.276 4.917 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2ccc(OCC)c(Br)c2)c1 8905122 NPRLTHKEHKJODY-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13638899 OKCYGRVVMDSKKJ-LQWHRVPQSA-N 445.382 4.740 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)cc2C1=O 15308741 OSRSEXWQTCGCEN-UHFFFAOYSA-N 445.472 4.645 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c1OC 41291977 UBNCIWWWRHNADX-BKUYFWCQSA-N 434.419 4.987 30 10 IJEE COc1ccccc1/N=C1\S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1C 58945810 AXCJOCINWMQDAZ-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE Cc1ccc(S(=O)(=O)/N=C(\O)Cn2ccc3c(OCc4ccccc4)cccc32)cc1 96777824 IPHYKAZVBQYBNC-UHFFFAOYSA-N 434.517 4.874 30 10 IJEE CCCC/N=C1/S/C(=C2\C(=O)Nc3ccc(Br)cc32)C(=O)N1CCCC 103693745 JHSCTNSXEANBFQ-NQZNYCRESA-N 436.375 4.644 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)cc1C 170169225 ZWENCENOERXCFJ-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccncc1 170212382 RKFLAUPCWSLGKK-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 170240196 SXXJLGCCNOKSSP-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265974 NYYVHYGVOXKPHP-ISKFKSNPSA-N 449.547 4.794 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(C)o2)c(C)c1 170305733 HTGHLUXLMAMKQQ-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)o1 170307993 DJLPJOADEQIRNE-QHCPKHFHSA-N 446.503 4.857 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311346 UUWXFZODBTYRLH-QHCPKHFHSA-N 447.462 4.831 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OC)c(O)c1 170322420 AGEWUNATAQKLPN-QFIPXVFZSA-N 434.492 4.651 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(O)cc1 170448326 ZSQHWWCAUWEKHP-QGZVFWFLSA-N 435.398 4.806 30 10 IJEE C=CCOC(=O)[C@@H](N)CCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccc(C)cc1 199039596 HUQNFNFYGULBES-VWLOTQADSA-N 443.543 4.667 30 10 IJEE O=[N+]([O-])c1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 254876126 HLFSFKDCLFFWDN-UHFFFAOYSA-N 426.440 4.713 30 10 IJEE CCNc1ccc(C#N)cc1N=C1S/C(=C2\Sc3ccccc3N2C)C(=O)N1CC 263628887 DUTNTMUTBHPOOL-PKKJDVLGSA-N 435.578 4.984 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 476124584 ZONLDZIMYYHDIM-UHFFFAOYSA-N 426.318 4.529 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508810076 BHZKPGAFMMZJJZ-UHFFFAOYSA-N 446.551 4.556 30 10 IJEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 508906080 COMXFCJQAVVAME-IBGZPJMESA-N 435.355 4.543 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 541396783 VFDJQMJQRYOZGD-QFIPXVFZSA-N 446.595 4.946 30 10 IJEE CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)[C@H]1C[C@@H]1C 569731135 ZFJJBXUBOBJRPC-HJPURHCSSA-N 426.476 4.759 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716621596 RNTXWILVDRWERW-UMFSSWHCSA-N 440.632 4.512 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)cc1OC 737600364 QYWDGMDMZJDDTE-TWUKCEHSSA-N 436.552 4.521 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(CC)on2)ccc1Cl 739826931 KMJZTUILVNCRPO-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cc(C)ccc1F 742213589 KHOJJBZZGZZGGP-FQEVSTJZSA-N 441.503 4.647 30 10 IJEE C=CCN(C(=O)/C=C/c1ccnc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 757927925 CFAIIACKJMGJDF-FPYGCLRLSA-N 426.885 4.999 30 10 IJEE Cc1oc(NC(=O)COC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c(C#N)c1C 764047811 CEXZWAXVHCENCW-VIZOYTHASA-N 426.778 4.549 30 10 IJEE N#C[C@H](C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)C(=O)N1CCCC1 780302586 QXNWEYCXKMIMSE-LJQANCHMSA-N 448.320 4.609 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2sc3cc(Br)ccc3c2Cl)n1 788825015 IVHGQLDOCBXXQX-UHFFFAOYSA-N 436.762 4.809 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(SC(=O)N(C)C)c2)CCCN1C(=O)OC(C)(C)C 790614446 AJCGMGQCNQWZIW-QFIPXVFZSA-N 433.574 4.745 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 802569672 YREFFAMDQPBVFJ-MRXNPFEDSA-N 431.968 4.526 30 10 IJEE C=CC[C@@H]1N(c2nnc(CNC(=O)OCc3ccccc3)n2CC(C)C)CCCC1(C)C 812219105 PHOLAJPKWXIPQE-NRFANRHFSA-N 439.604 4.932 30 10 IJEE CCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)Nc2ccccc2C#N)cc1 917613765 UQLQGXZTSXUIJK-UHFFFAOYSA-O 445.568 4.726 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)Nc1ccccc1 1083944730 KDFJBTZQHYFZLC-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE O=C1C(=NNc2ccc(Br)cc2)c2ccccc2N1CCOc1ccccc1 1084037031 OWLPGLASYRUZME-UHFFFAOYSA-N 436.309 4.691 30 10 IJEE COC(=O)C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(C(C)(C)C)cc1 1126410015 BWAIFOYYWAOGKD-HXUWFJFHSA-N 431.492 4.545 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)C(F)(F)F)cc1 1128867451 WOZYESRIDCFYSY-HXUWFJFHSA-N 443.381 4.590 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(CN3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1132745480 USZDGPRURDLJKY-RUZDIDTESA-N 427.589 4.957 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1137856497 DDGUDLVTMVVCLW-OAQYLSRUSA-N 441.572 4.951 30 10 IJEE COc1ccc(-c2cc(CNC(=O)c3cccc(COc4cccc(C#N)c4)c3)on2)cc1 1146703144 HBRQLMQHYDQVOL-UHFFFAOYSA-N 439.471 4.731 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3cc(OC)c4ccccc4c3)ccc2c1=O 1158407439 JJARAQSUBXNFRC-HNNXBMFYSA-N 445.544 4.524 30 10 IJEE C=CCC1(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)CCCC1 1166839275 KIPBRJXGXGKESJ-UHFFFAOYSA-N 431.627 4.904 30 10 IJEE C#CC1(O)CN(Cc2cc(Br)ccc2Oc2ccc(Cl)c(Cl)c2)C1 1184180155 ZUZWLABXQNGFQI-UHFFFAOYSA-N 427.125 4.728 30 10 IJEE C=CC[C@H](Sc1nc2sc(-c3ccccc3)c(C)c2c(=O)n1CC=C)C(=O)OC 1188540370 XFRIYADXIULTNB-INIZCTEOSA-N 426.563 4.829 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)[C@H](OC3CCOCC3)c3ccccc3)cc21 1209767048 BCDHYKNSZKTSHU-UUOWRZLLSA-N 434.540 4.669 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@@](C)(C(F)(F)F)O1 1214623155 BYMDVMOPHCQHGT-FQEVSTJZSA-N 434.418 4.709 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CSCc2ccc(Br)cc21 1215514872 FXLASAXRWHSVLA-KRWDZBQOSA-N 435.318 4.710 30 10 IJEE C=CC[C@H]1N(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)CCCC1(C)C 1221706795 GMRYLQYFNQWQDS-GOSISDBHSA-N 436.394 4.862 30 10 IJEE C=CCC[C@H](NC(=O)NCCN(C)C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1221795865 OEXQPYZGKMJOTQ-KRWDZBQOSA-N 429.483 4.879 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1 1225646434 GXIMRRQTNRYVFV-XMMPIXPASA-N 443.547 4.886 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1227841076 GQIPUCJABIPXDW-YLJYHZDGSA-N 429.351 4.821 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1230511669 YHPJKTQBBPPVDW-BIFSNJIPSA-N 449.954 4.632 30 10 IJEE COc1ccc(Br)cc1-c1nc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cs1 1264420461 AHXUOIZYPMSDIB-LBPRGKRZSA-N 442.338 4.944 30 10 IJEE C=CCC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 1264640941 PXIKZXVPXCJPTG-NRFANRHFSA-N 432.486 4.908 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(Br)sc2C2CC2)cc1Br 1272170890 FDHYGZUMQLRVTO-UHFFFAOYSA-N 427.121 4.669 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1286273468 FCLWNIQNDAFBTF-PLOUGOBLSA-N 442.991 4.549 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCSC 1286499669 UCNUYNMNUUGMMU-MRXNPFEDSA-N 434.700 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](CN3CCCCCC3)C2)nnc1C(C)(C)C 1286565200 YTCJIOBVYRVVIC-VJBWXMMDSA-N 443.680 4.649 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1286605477 XOPUMFKBDZBEEW-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=C(Cn1c(N(C)CCC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286618900 KFHAWMDSLJFDFY-BGYRXZFFSA-N 425.577 4.608 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](CCC)OC)CC1 1286655852 TVIAVGDYKCCICJ-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1286701692 CBRMCZTXDCZLMO-XMMPIXPASA-N 426.568 4.561 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1286708211 QUIKJGSACFLIEA-ROUUACIJSA-N 445.405 4.843 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCCN(C)C2CCCCC2)C1 1286804979 NMGBIKIDOSQHCE-HSZRJFAPSA-N 437.632 4.689 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccnc2C(=O)c2ccc(F)cc2)cc1OC 1287314170 MXUHVNJOEIYPHZ-QPEQYQDCSA-N 432.451 4.677 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CC2(CCOCC2)C1 1300274290 JTTWFZIFBQZQMU-PZJWPPBQSA-N 436.600 4.700 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1300356679 DSIGUAOTVVUPCC-PMACEKPBSA-N 446.599 4.522 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C(C)C 1300362678 TUHNCHWZUIGRNY-LEWJYISDSA-N 443.636 4.821 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(OC)CCC(C)CC1 1300443484 ILRKWFHOXHQIQZ-UHFFFAOYSA-N 445.405 4.681 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 1300477470 JUHLSCKCJDCEBJ-CRAIPNDOSA-N 437.378 4.830 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1300742230 BILCLUGBCYTSLY-NHCUHLMSSA-N 428.671 4.984 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1cnc(C)s1 1300877915 YFGSHPLXCPCNOW-IRLDBZIGSA-N 437.613 4.890 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301054967 CNTCNGGXABMNKL-CVEARBPZSA-N 439.412 4.839 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1301088838 HVKUMGKKYBPEDW-JOCHJYFZSA-N 428.989 4.648 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc3ccccc3s2)CC1 1301108523 RQHDTUQKEZMROY-UHFFFAOYSA-N 437.613 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(F)(F)Br)CC1 1301114452 SYZZOXZUASEGME-UHFFFAOYSA-N 431.712 4.989 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)C[C@@H]2CC)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301168542 RPVRPFNNHSTUQL-XQJVOIGCSA-N 438.616 4.915 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1301229570 UHZTVEZNHAZXHY-FDDCHVKYSA-N 434.588 4.702 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1ccco1)C1CC1 1301313549 BEHOJKHSGXYQFW-HJPURHCSSA-N 442.947 4.727 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1c(Cl)cccc1OC)C1CC1 1301317607 UNAYZUBWTJTMCT-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1301426932 XHLDYTUECICZNB-XUTJKUGGSA-N 426.561 4.827 30 10 IJEE C=CCn1c(SCc2cncc(C(=O)OC)c2)nc2sc(-c3ccccc3)cc2c1=O 1307283140 AQYHLRDJYLFGDX-UHFFFAOYSA-N 449.557 4.785 30 10 IJEE C#C[C@H](NCc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1)c1ccc(F)cc1 1308785198 BPWZHGPQVWTLAV-NRFANRHFSA-N 437.467 4.647 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccccc1-c1nnnn1C)c1ccc(C(F)(F)F)cc1 1311133338 FGGFHEJESQJAPC-KRWDZBQOSA-N 430.434 4.725 30 10 IJEE C#Cc1ccc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)cc1 1312682687 YCSNYGXMWOWARR-HXUWFJFHSA-N 437.893 4.746 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(COc2cccc(F)c2)cc1 1312919618 CQELLXRELQNHKH-UHFFFAOYSA-N 438.499 4.778 30 10 IJEE C=CCn1c(-c2oc3ccccc3c2C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1339595360 LKPSDMLDGWNDDQ-SFHVURJKSA-N 435.572 4.563 30 10 IJEE Cc1sc(NC(=O)COc2cccc(Br)c2C#N)nc1-c1ccc(F)cc1 1350479037 BAGAAUNSHJHEEU-UHFFFAOYSA-N 446.301 4.909 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(F)c(Cl)c2F)c(C(=O)OCC)c1C 1353746439 NNJYABKOHIEQQL-UHFFFAOYSA-N 443.855 4.760 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)(C(F)(F)F)C1 1356546250 DFQFCHDDKCQDGZ-MRXNPFEDSA-N 444.347 4.973 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1 1357274926 HOWKZSLZYMWIHG-NRFANRHFSA-N 439.987 4.563 30 10 IJEE C=CCn1c(SCC(=O)OCc2cc(Cl)ccn2)nnc1-c1ccc(Cl)cc1 1357577897 GNTCAFABMPLLIA-UHFFFAOYSA-N 435.336 4.668 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1358904860 NDPDACVEWRDURY-PTLVVNQVSA-N 436.600 4.842 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N1CCCC1 1359003909 BAKLAJKVFJQHQW-HXUWFJFHSA-N 441.938 4.627 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC[C@@H](C)N1CCCCC1 1359074282 XSTYENIXIJTSMI-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](OC)C(C)C 1359074937 XMLLDLDXNKUJIN-SIKLNZKXSA-N 433.021 4.887 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@H](C)C1 1359144339 FQXNERLPTIQGJZ-QWHCGFSZSA-N 439.785 4.951 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359160891 ILZBDUVBAUOMFC-FQEVSTJZSA-N 445.558 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(C)(C)C)CC1 1359191788 LWSNJURVWRSYRK-UHFFFAOYSA-N 439.648 4.942 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC(C)(C)C1)c1ccccc1 1359193616 GZUIENKDNJAFAE-HXUWFJFHSA-N 437.975 4.969 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1Cc2ccccc2C1 1359215559 FEUXFLXSJVBTIP-UHFFFAOYSA-N 437.588 4.879 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1)C(C)C 1359264771 PBVMDONYUWGCNR-GOTSBHOMSA-N 444.023 4.516 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N(C)Cc1cnc(C(C)C)nc1 1359340350 KHPGNRRWCVBMLM-UHFFFAOYSA-N 426.565 4.553 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1360499162 BFTCLWBPMRFTBR-SFHVURJKSA-N 428.565 4.788 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1450618877 BUQPIGOOYYRMKF-XPWALMASSA-N 438.568 4.827 30 10 IJEE CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)Oc1c(C#N)cnc2ccc(C)cc12 1459098115 FDJGNBDTDAZMLX-AWEZNQCLSA-N 437.521 4.622 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC=C(c4cccc(Cl)c4)CC3)CC2=O)cc1Cl 1459744868 HBKREVXBWMVTIN-SFHVURJKSA-N 440.330 4.534 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2ccc(CC)cc2)c2c1CCC2 1459979200 DSLKFKPQUCPBCC-UHFFFAOYSA-N 431.584 4.919 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCc3ccc(C)c(Br)c32)c(OC)c1 1460757847 DCFJUNRTYHTWGA-UHFFFAOYSA-N 430.342 4.853 30 10 IJEE C#Cc1cccc(CNC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 1460890276 PKICRANXCGYHBS-UHFFFAOYSA-N 448.935 4.571 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1 1461528509 DFYUFWYCECKUOO-VFNWGFHPSA-N 427.342 4.835 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)CN(C(=O)OC(C)(C)C)C1 1467496017 ZVADRPAXXWBFBE-UHFFFAOYSA-N 440.544 4.536 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(=O)OC 1471895788 UZKOWKHCAOHULH-FQEVSTJZSA-N 437.927 4.820 30 10 IJEE CCCCn1c(S[C@H]2CC[C@@H](C#N)C2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 1472937946 FNCGYBGALWGVBZ-SJORKVTESA-N 434.631 4.651 30 10 IJEE CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1476056592 ALMRPSZFYFHSHY-UHFFFAOYSA-N 427.258 4.765 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCCCN3C3CC3)cc2Cl)c1 1476098978 CGTVMNKNASLUHS-OAQYLSRUSA-N 438.959 4.929 30 10 IJEE C=CCC1(NC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)CCCC1 1477272584 QANGIMJOSJZWGB-UHFFFAOYSA-N 432.612 4.697 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](Cc2ccc(OC)cc2)C1)c1ccc(Br)cc1 1478895969 HZNLIHHVNXVPNK-GCJKJVERSA-N 441.369 4.796 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CC1 1479208742 CKHJEAKEVZTTGX-BJLQDIEVSA-N 432.490 4.626 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1507558003 DPFNXHCMXGFCKD-UHFFFAOYSA-N 445.567 4.508 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1507606640 SIZXGMJAJWDSPH-UQBPGWFLSA-N 439.673 4.855 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)OC1CCCC1 1507858689 PWOHIEPQQQWKSA-UHFFFAOYSA-N 429.721 4.910 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507867385 LXKZISMMTIXTEJ-UHFFFAOYSA-N 426.348 4.815 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCCC[C@@H]2C)CC1 1507880140 INVYNKCSRPJKOH-LEWJYISDSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCOCCOC)CC1 1507898138 VBAKLSYTDNFJGA-UHFFFAOYSA-N 444.645 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1507911414 KJPCUOIICGGLBW-VGOFRKELSA-N 440.588 4.568 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H]1CCCCO1 1507960005 UWKCYVUTKWYGJD-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1ccc(OC(C)C)nc1 1507997395 SJOAUKUIFRDNAQ-UHFFFAOYSA-N 444.583 4.870 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1cc(C(C)(C)C)no1 1508028626 UXENSTLMBYWAQN-UHFFFAOYSA-N 432.528 4.502 30 10 IJEE C#CCOc1ccc(COC(=O)CCc2nc3cc(Br)ccc3s2)cc1 1515073294 VPYCNTBEXSSZDN-UHFFFAOYSA-N 430.323 4.747 30 10 IJEE C=CCC[C@H](NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 1519590100 QJFQVLPSRSIYKO-VQANOXKBSA-N 430.426 4.873 30 10 IJEE C#CCSCC(=O)N1C[C@@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 1523328024 AWDWAMSHLCXXLV-IBGZPJMESA-N 425.535 4.574 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c(OC)c1 1523813247 CQLKNBLQGMQURR-UHFFFAOYSA-N 427.394 4.912 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 1525672750 LMMIOUSULTWFFM-UHFFFAOYSA-N 435.527 4.752 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 1528291361 SYTWYRGLWQSEEP-OAQYLSRUSA-N 434.609 4.828 30 10 IJEE C=CCc1cc(CNC(=O)c2oc3ccccc3c2Br)cc(OC)c1OC 1528659650 CUZYHTAVNZCFIA-UHFFFAOYSA-N 430.298 4.871 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)C(C)C)ccc1F 1531421436 HAEQXSPVCBQKBA-UZUQRXQVSA-N 446.588 4.931 30 10 IJEE C#CCCCCn1c(COc2ccccc2OCC)nnc1N1CCC(Cl)=C(Cl)C1 1539081963 IXRLYTBSJSDZNM-UHFFFAOYSA-N 449.382 4.959 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCCC(C)C)CC1 1539123974 HWLCBTDVBXEUOX-UHFFFAOYSA-N 430.543 4.592 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(SCC)c1 1539382457 JQJGXNHSYACOLE-UHFFFAOYSA-N 437.638 4.894 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1539526804 PXCCJWOKYCESNM-KRWDZBQOSA-N 433.021 4.749 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 1539729691 RGJABKSLYACBAU-HUUCEWRRSA-N 437.357 4.532 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccoc2)CC1 1539898786 YMWMPXMHOXMWSC-UHFFFAOYSA-N 443.345 4.663 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1540098981 OQTOURGTQJVJBK-HNNXBMFYSA-N 439.913 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](CC)OC 1540159257 ZVAWGXCJKUICKT-HNNXBMFYSA-N 439.785 4.964 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1540916162 SQSSAYIBFQEJPQ-HSZRJFAPSA-N 447.048 4.692 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC)C1 1540922357 LWLVOSVRRXKWJC-ROUUACIJSA-N 435.638 4.506 30 10 IJEE C#CCN(CC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)C(=O)OC(C)(C)C 1542240744 SCJTULDWLRYROK-OAQYLSRUSA-N 426.944 4.610 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(Cl)ccc3SCC)ccc2c1=O 1543194416 XTNZGUXRGXCWBI-UHFFFAOYSA-N 431.970 4.889 30 10 IJEE COC(=O)[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CCCCC1 1543865383 HLPTZTQQHCBFSM-OAQYLSRUSA-N 426.900 4.856 30 10 IJEE CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](CO)c1cccc(Cl)c1Cl 1557390847 ANKPSGLIIXRVLQ-IBGZPJMESA-N 445.302 4.843 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccc(C)cc3)C2=O)nnc1-c1ccc(OC)cc1 1559321281 KQVODWUMJYIPCC-NRFANRHFSA-N 434.565 4.736 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NC3(c4ccc(F)cc4F)CCC3)n2)c(Cl)c1 1562533096 CZQDVNZWKPOLCV-UHFFFAOYSA-N 427.842 4.876 30 10 IJEE C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)N1CCN(c2ccsc2C#N)CC1 1564373691 CBOLMVZRPXQBFV-HUUCEWRRSA-N 436.503 4.662 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 1568548578 KBENQOQBUKPKEA-UHFFFAOYSA-N 431.005 4.688 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc(Cl)cc1F 1583578412 FTABZCGBUKHYJB-GMAHTHKFSA-N 448.881 4.526 30 10 IJEE Cn1cc(CNC(=O)C(F)(F)c2cccc(Cl)c2Cl)c(-c2ccc(C#N)cc2)n1 1584730387 DTUMNBUGSZBNRZ-UHFFFAOYSA-N 435.261 4.674 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCC[C@@H]1CC 1589177802 MRXRPWXVOLPTIH-XUZZJYLKSA-N 426.008 4.855 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Cl)s1 1589559514 SGXXQHSOSBSTNU-DYESRHJHSA-N 444.004 4.596 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1594090603 MHMQKLNDCMSUNA-LEWJYISDSA-N 429.634 4.821 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1594229304 KRBVYPMVYIMVOA-WOJBJXKFSA-N 436.648 4.807 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[C@H](OCC)C(C)C)CC1 1594241334 NAWKBAFPCCUYOO-REWPJTCUSA-N 440.588 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1594511387 QBXLPTOLBMNIFY-HSZRJFAPSA-N 430.600 4.947 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1594942644 CJCKUONXRBLHMJ-HSZRJFAPSA-N 430.600 4.573 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCn2ccnc21 1594997741 MDASYUAXQBAAPP-LJQANCHMSA-N 434.588 4.551 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@H](C)CC 1595093117 AIZIZXHVAKVKTF-BCHFMIIMSA-N 444.583 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1C[C@H]1CF 1595142659 UHUJOIWESIDJNS-FXAWDEMLSA-N 439.560 4.932 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCc2cccc(Br)c2C1 1595883810 BYEUVXDGQLPCAN-UHFFFAOYSA-N 435.435 4.721 30 10 IJEE COCC1(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cccc(C#N)c2)CCCCC1 1619645428 GELTYJHJBYRRKL-UHFFFAOYSA-N 433.556 4.952 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 1623848137 QEDIFULXBCNIBB-UHFFFAOYSA-N 447.461 4.971 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C1(c2ccccc2)CCN(C(=O)C=C)CC1 1623965906 OUYIOGDHMYOQMF-UHFFFAOYSA-N 428.985 4.663 30 10 IJEE C=CCONC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1624259461 MTKHAEJLGOEYHV-XMMPIXPASA-N 434.536 4.708 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1626818141 HSVUWKQCELVUSF-MHECFPHRSA-N 432.564 4.858 30 10 IJEE C=CCNc1ncc(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)s1 1628053189 XWZPDTGZQGOHDP-UHFFFAOYSA-N 431.776 4.664 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 1635495149 UAKKFQXXLMHXDM-SANMLTNESA-N 445.607 4.531 30 10 IJEE C#CCN(C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCc2ccccc21 1635884458 JYHMSKSSUUTREC-MGPUTAFESA-N 429.347 4.651 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1F 1636567492 RZCUCTCQSPETHM-OALUTQOASA-N 425.262 4.729 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 1640066631 UMAMJZFLDMWENX-OAHLLOKOSA-N 427.888 4.929 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1640186758 QPCIZNOMGHGLPT-RXFWQSSRSA-N 442.559 4.732 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CC(=O)OCC)c2ccccc21 1640462872 OGXHKIAWRDGIKG-ICSRJNTNSA-N 444.572 4.710 30 10 IJEE C=CC1(CC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CN(C(=O)OC(C)(C)C)C1 1641514335 HISIPETYEOUSSH-UHFFFAOYSA-N 449.523 4.764 30 10 IJEE C=CCN(Cc1ccccc1F)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1652329093 KHHPDKWPSLBSSY-KRWDZBQOSA-N 442.490 4.616 30 10 IJEE C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1653307032 HAVDSCGVJFQRAP-MGPUTAFESA-N 444.000 4.943 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1 1653912461 KBNBRQJHELFALZ-UHFFFAOYSA-N 440.531 4.577 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1656081967 RGIJOGYMXIWYKR-FQEVSTJZSA-N 444.959 4.716 30 10 IJEE C#C[C@H](N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(Br)cc1 1659305109 TZPVMGIOKHIGKJ-LFGUQSLTSA-N 433.390 4.749 30 10 IJEE C=CCN(Cc1nc(Cl)ccc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1659459301 WRAWCPIXNSYNGF-GOSISDBHSA-N 437.765 4.660 30 10 IJEE CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 1661258478 GUTZSUIBFPCTEH-UHFFFAOYSA-N 431.329 4.564 30 10 IJEE Cc1nc([C@@H]2CCN(C(=O)Nc3ccc(Sc4ccc(Cl)cc4C#N)cc3)C2)n[nH]1 1662729492 IBNRPPNEJIVYEU-CQSZACIVSA-N 438.944 4.811 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1665679093 DFQFMETXYPYENA-NRFANRHFSA-N 427.589 4.818 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(OC(F)F)c(OC)c2)cc1 1667786399 RMZGMHKSDUAAOB-UHFFFAOYSA-N 431.439 4.755 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)C)nn1Cc1ccccc1 1671360615 DFOOHFPYENCXGU-UHFFFAOYSA-N 431.540 4.607 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 1679245281 YUDSAPIABCJLQV-UHFFFAOYSA-N 440.543 4.559 30 10 IJEE C=C(CNC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1679427759 BCDXEFMFBIVVGV-IRLDBZIGSA-N 429.923 4.542 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 1683979768 RKHLIRXOQUIQQI-CCKFTAQKSA-N 425.342 4.806 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC=C)C1CC1 1689878299 DKKWWGYBNHEXRV-UHFFFAOYSA-N 429.362 4.675 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2nccs2)C1 1689881231 KIANMAQTVCOCGP-SFHVURJKSA-N 445.951 4.576 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1689884525 YSCQYXCELDWKAG-NRFANRHFSA-N 431.540 4.502 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(SC)CCC1 1690065172 NQOGPYJRVWQGPV-UHFFFAOYSA-N 425.421 4.514 30 10 IJEE C#CCSCCn1c(N2CCC[C@@H](c3nc4ccccc4s3)C2)nnc1C(C)(C)C 1690186548 RCUKKIPFJCZPPH-QGZVFWFLSA-N 439.654 4.936 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(C)(C#N)CC1 1690250912 MYTBJMVNFMSJMZ-VWNXMTODSA-N 433.600 4.565 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2ccccc2N2CCCC2)nnc1C(C)(C)C 1690252502 FPSBSVWECXHGBJ-JTHBVZDNSA-N 437.632 4.793 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1690348768 AMVBBBWUMRPPOO-UHFFFAOYSA-N 444.004 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690422729 YPNHHKNUEILCKZ-HJPURHCSSA-N 448.970 4.724 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC(F)(F)Br)C1CC1 1690550238 SCUNKZAYKINYIJ-UHFFFAOYSA-N 447.711 4.653 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCc2ccccc21 1690643847 YMZNGZHEVVZGDC-OAQYLSRUSA-N 437.588 4.702 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1690649648 HMOKQSXMOGBIBI-HXUWFJFHSA-N 438.597 4.907 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1690738338 JYATXPRLRFPWRR-WOJBJXKFSA-N 442.629 4.516 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1cccs1)N1CCCC1 1692660785 DPZAKYXCFAIJFL-QUCCMNQESA-N 426.634 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(-c2ccsc2)nc1 1705496317 DDKJDBFABZXREX-QGZVFWFLSA-N 431.540 4.638 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1OCCCC 1705497029 SLMPRIBYBNQKQG-SFHVURJKSA-N 437.975 4.602 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1705510059 RTUUBSRMGQNLGE-HOTGVXAUSA-N 449.418 4.720 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(Br)cs1 1705542764 NPBWCOAGZSFBLT-SFHVURJKSA-N 429.387 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCc1csc(-c2ccccc2)n1 1705596378 CAJUUGMYYGOJFD-UHFFFAOYSA-N 429.593 4.765 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC2(CCCCC2)O1 1705616885 QBOIEROETCHMQV-HSZRJFAPSA-N 436.600 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)c(C)c1 1705696303 MUDJMLSPFUXCOE-REWPJTCUSA-N 436.556 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N(C)C)CCCCC1 1705713184 WLMDPWZSZFJIIB-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1705740059 AGMHVXXSENSQDN-QHCPKHFHSA-N 425.602 4.602 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](CC)C1)c1ccccc1 1705797726 BDGCLBBSWLXNLW-TUACAJSNSA-N 431.584 4.628 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC1(SC)CCC1 1705860216 OWVNVRJTKCZMGQ-UHFFFAOYSA-N 444.608 4.999 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC(F)(F)C1 1706068215 GOHMTFGSEZNCOP-KBPBESRZSA-N 425.430 4.578 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CCCCC1)N(C)C 1709202776 GKYCAKWSBCKEBY-FOVJLYNBSA-N 434.632 4.952 30 10 IJEE CCO[C@@H](CCn1c(CCc2ccccc2)nnc1N1CCC(C#N)CC1)C1CCCC1 1710411919 GNCXCYSPJXQASU-DEOSSOPVSA-N 435.616 4.789 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@H]2C)c1 1711710682 AGUPIGOHHKZVTK-OAGGEKHMSA-N 446.393 4.891 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccncc1Cl 1722285807 XYPVHDYOBRAMMJ-QGZVFWFLSA-N 447.926 4.672 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722303955 UZJLGEHJGUJYKN-GVDBMIGSSA-N 436.478 4.617 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Br)s2)n1CC1CC1 1722418401 PDEZEYGIBVWCSL-UHFFFAOYSA-N 445.361 4.958 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1CC 1722454649 NYVVUSBIMAMDJD-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC 1722480772 SNJHKKYHZBILLK-UHFFFAOYSA-N 428.172 4.771 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(C)C1 1722494022 LPWMXZZBNROEAY-JTHBVZDNSA-N 449.599 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)c1c(C)noc1C 1722511944 RKSDMSAXCDYSHZ-INIZCTEOSA-N 439.560 4.773 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC1CC(F)C1 1722531472 SJEJXQFQYZVTMW-LRYGQEGESA-N 432.609 4.908 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2C)C1 1722534435 PABOUGPWVGRFGC-HXUWFJFHSA-N 437.613 4.529 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722542684 FYIVIUBNXPIECL-TZIWHRDSSA-N 444.023 4.561 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CCCSc2nccs2)CC1 1722567416 XOBVWILCYIILQY-UHFFFAOYSA-N 425.627 4.973 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSCC(C)C)CC1 1722572260 OEPRJKWXYBEQPV-KDURUIRLSA-N 449.665 4.594 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1722583829 ZXCMSCXHIKWEEI-CJFMBICVSA-N 440.588 4.616 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 1722596174 DMPWVMNYENDSBN-WOIUINJBSA-N 444.645 4.553 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1 1722673560 WHWVZHFWPWNQRW-NHCUHLMSSA-N 430.543 4.843 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OC(C)C)CC1 1722738011 ZBCIOWHCLGYFQV-UHFFFAOYSA-N 439.629 4.750 30 10 IJEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCc1nc(C(C)(C)C)cs1 1726370912 HOVHGKGEEDQIGJ-UHFFFAOYSA-N 432.597 4.749 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1740662893 YPSAAQIZTNNBAF-XVWGUNQUSA-N 442.991 4.736 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(N(C)C)c1 1740664436 QGORZJHVHZIFBC-UHFFFAOYSA-N 433.625 4.849 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@H]1C(=C)C 1740665255 VGMYBMOJHBMCCG-YKSBVNFPSA-N 446.551 4.558 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(CCC)CCC2)CC1 1740691727 MGQJJDZHTADCAN-UHFFFAOYSA-N 446.426 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCC1(F)F 1740727359 ITNMKKMHMDXDGL-WZONZLPQSA-N 444.526 4.780 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(C)(C)C 1740753612 MCXXSNAGBIEETM-DENIHFKCSA-N 434.588 4.799 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccoc1 1740789044 CNKKJQJIVWPDTC-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=C(Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C)C1)c1ccccc1 1740796409 AOCKFBGEBHNKKX-OAHLLOKOSA-N 445.386 4.708 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2cccc(C)c2)nnc1[C@]1(OC(C)C)CCOC1 1740817072 UGWUONCGAUQJQD-REWPJTCUSA-N 430.980 4.721 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C(C)C)N2CCCC2)CC1 1740825541 WZGZLILMEMLLEE-UNMCSNQZSA-N 441.595 4.834 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)CC[C@@H]1C 1740883191 LYMNCQRHPRJOSK-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1740913366 LTMNGAKHYNJTRT-HSZRJFAPSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)OC 1740920638 SLOZBZCGXNAKHN-YFVAEKQCSA-N 430.568 4.563 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS1 1740936548 YVTLLPXOCHBXBE-FQEVSTJZSA-N 439.541 4.577 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1csc(C)c1 1740938267 CTBSVFIXGGFQPD-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2(F)CCC2)C1 1740973506 YNTNDYILCPXTSC-ROUUACIJSA-N 432.515 4.621 30 10 IJEE CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(N2CCCCCC2)nc1 1743599340 BTDJMDVPFSNVDD-HXUWFJFHSA-N 435.620 4.745 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(C)CCCS1 1743723907 GNGTZLNXWXQEDU-NTKDMRAZSA-N 438.645 4.666 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCCCCC1 1748750873 QWKBNRMIRORWFX-UHFFFAOYSA-N 429.609 4.577 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C(CC)CC)N(C)C 1748834456 ONTOPEZALFAMMR-OAQYLSRUSA-N 446.426 4.691 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCC(C)(C)C1CC1 1748935419 SCMDIWOYMRDQLT-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1749052004 VALOUMXBOGFMBT-OAQYLSRUSA-N 431.371 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749124369 NAKJEWYGWDGLNL-LIXHSBQKSA-N 438.616 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc2ccccc2s1 1749142943 AUVHTVOJYUTQCN-HSZRJFAPSA-N 426.586 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCc1coc(-c2ccc(C)cc2)n1 1749149916 IZNSFFFSDAZJAQ-UHFFFAOYSA-N 428.540 4.949 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@H]2CCCO2)CC1 1749277486 CZQRGCTWOPGZNO-HXUWFJFHSA-N 430.980 4.622 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1749287876 DNRUUPLKAZIULP-HXUWFJFHSA-N 446.437 4.840 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN(C(C)C)C(C)C)CC1 1749334741 MAOJWVLRLQSFCE-UHFFFAOYSA-N 431.028 4.905 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCCO[C@@H](C)C1 1749376335 WHGBCEOUOUUYRB-SFHVURJKSA-N 430.618 4.797 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCCCCC2)C1 1749377346 RXYRHCJWGJJPRN-SFTDATJTSA-N 446.636 4.534 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](CC)C1 1749393518 YQTQTJBLKDDILR-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749501515 BNWQPSYAJYSWPO-JPYJTQIMSA-N 432.012 4.643 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H](c1cccs1)N(C)C 1749532033 PMRQFEAMNWHEHX-QFIPXVFZSA-N 446.624 4.974 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1c(F)cc(F)c(F)c1F 1749587036 FSYRWGFJHHMLKR-UHFFFAOYSA-N 445.420 4.706 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2=CCCCC2)C1 1749694906 XNCIXCIRKRCRHV-QHCPKHFHSA-N 449.599 4.819 30 10 IJEE CC(C)SCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1751058757 CJIMVERLAVGXAG-VGSWGCGISA-N 431.581 4.829 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(COC)CC1 1760132947 RUOGHTWWIGPFPG-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)CCCCC)CC1 1760150091 BSQWZECZDOJBHI-UHFFFAOYSA-N 442.007 4.677 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1760150506 PFGKXVRKTZRKKS-OALUTQOASA-N 442.629 4.876 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOc1ccccc1C 1760173300 QJHUWLDVCHBTCA-GOSISDBHSA-N 434.609 4.978 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1760220587 OWSJGKGMDVAJOF-ICSRJNTNSA-N 432.465 4.765 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760343274 JZKHHDKODFNHJB-MJGOQNOKSA-N 431.378 4.597 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H]2c2ccc(C)o2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760349156 BOQJEIGAKWXJKC-CEXWTWQISA-N 441.576 4.868 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2OCCC2(C)C)CC1 1760405663 BFVWFEHGXOMFED-NRFANRHFSA-N 442.629 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760408640 DLKABRKMFYYXFA-PZJWPPBQSA-N 435.616 4.560 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760410021 QTRUEZDAIKYRCT-QAPCUYQASA-N 433.478 4.575 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@H](C)C1 1760426664 ZNDNJOZYXOGVRZ-IBGZPJMESA-N 434.588 4.658 30 10 IJEE C=CCN(c1nnc([C@@H](C)CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1CC1 1760469848 HJUYSCMEJLFLKO-PKOBYXMFSA-N 429.609 4.736 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1760470865 FSAFJFGCQUACIY-XMSQKQJNSA-N 441.595 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCCCC1=O 1760491661 OOJVJTWKTODHJD-UHFFFAOYSA-N 435.616 4.824 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760506474 AGNVGVXBEIWUDF-OXJNMPFZSA-N 432.515 4.874 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2CCC[C@H]21 1760568192 BIQCVJPVQFTCLU-ZWKOTPCHSA-N 430.643 4.877 30 10 IJEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1761089202 FZJMQSKIAUGCMX-UNMCSNQZSA-N 439.579 4.986 30 10 IJEE CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1)SC 1762120249 FKVKUNJQQJAQPH-KKSFZXQISA-N 449.571 4.921 30 10 IJEE Cc1csc(-c2cccc(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c2)n1 1859742219 WPHJRYGJZDKGII-UHFFFAOYSA-N 436.500 4.976 30 10 IJEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Sc3nc(-c4ccco4)cs3)cc21 1860812594 HWVPDDQSBFWYTH-ZDUSSCGKSA-N 426.519 4.678 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)Cc1cc(OC)ccc1Cl)[C@H](C)CC 1860982610 MDUPEHYBMLCQFS-VGOFRKELSA-N 425.013 4.899 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 1862474950 ZGLUJUPULZXBKY-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)c(O)c2)c1 1862489535 XHFROUYZCFDRHI-ZDWFVDTJSA-N 435.520 4.872 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1c(Cl)cccc1Cl 1862579097 LCTHZUYTSJDWQT-LJQANCHMSA-N 448.302 4.775 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(F)cccc1Cl)c1ccc2c(c1)OCO2 1862631452 PTEMABXWQLQPFH-FQEVSTJZSA-N 443.858 4.729 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862728393 ASZKAFNQLDTTHP-XMMPIXPASA-N 443.499 4.969 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 1862735353 IRNCNBDBIKHXGB-HXUWFJFHSA-N 426.444 4.893 30 10 IJEE Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862952953 FULHYAIBFDGWBO-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)c1 1863316435 VUEDLYZZKUGKGR-UHFFFAOYSA-N 443.453 4.846 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](c1ccc(F)cc1)C(C)C 1868842203 BAURSGIGUXRYSQ-DNQXCXABSA-N 440.534 4.633 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1870151032 ZJJVPRBPKMSSKQ-UHFFFAOYSA-N 438.447 4.583 30 10 IJEE N#Cc1ccc(COc2cn(C[C@H]3CCCO3)c(CSc3ccccc3)cc2=O)cc1 1870233488 RPXKJYBGPBXZHA-JOCHJYFZSA-N 432.545 4.770 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CSc2ccc(Cl)cc2)cc1=O 1870300520 JHWSBTJVBFWWRW-UHFFFAOYSA-N 433.017 4.928 30 10 IJEE CCCCCCCCn1cc(OCC)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870363111 OKKUVNUYTHDBJT-UHFFFAOYSA-N 425.617 4.930 30 10 IJEE C=CCOc1cn(CCCCCC)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1=O 1870387420 DJRFSWUJLVFNDX-SDNWHVSQSA-N 449.639 4.824 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)c3C)C2=O)o1 1871448476 RCIASTUQEWIEAK-OFNOZLENSA-N 448.431 4.827 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871682497 GTLDTJVMIGJPSI-UHFFFAOYSA-N 430.547 4.688 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c(OC)c1 1872778963 YIGHRZBHKNJYDJ-IBGZPJMESA-N 436.533 4.872 30 10 IJEE CCCCOc1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Br)cc1 1873526081 LYOLRTJCYRWGOP-OEAKJJBVSA-N 441.329 4.620 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Br)c2)cc2c(NCCCC)ncnc21 1873604013 FQADHCSUZVNYPE-UHFFFAOYSA-N 428.334 4.844 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)cc1)n2CCCC 1873612911 OOVWVQRTNCFWJQ-UHFFFAOYSA-N 428.334 4.844 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(Cc2ccccc2F)C1 1874180975 BABGOAGBRRPPAC-LBPRGKRZSA-N 448.338 4.851 30 10 IJEE CCCOc1ccc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC)cc1 1874238037 ODLKBJQOKQKFHI-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE CCSc1nnc(CCc2ccccc2C)n1/N=C/c1cc(Br)ccc1O 1874363176 QBURVSUZLDYTLA-LPYMAVHISA-N 445.386 4.834 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874394925 ZFOUVAMTONHVRQ-GTPWMTBTSA-N 444.564 4.679 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccs1 1874424111 VHIYFCXYSRMPMV-DEDYPNTBSA-N 433.628 4.691 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1cccc(F)c1 1874478164 RFZMYWQYRVCABN-MFKUBSTISA-N 439.560 4.935 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874491240 GWPDSXQYRGFHPG-YSURURNPSA-N 442.507 4.669 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c1 1874692482 JILGGMBNYXXJRU-MDZDMXLPSA-N 433.416 4.727 30 10 IJEE C[C@@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-])c1ccccc1 1875150785 FARKAPGZNJAVBK-OJXHRBAXSA-N 445.427 4.929 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1C 1875187125 TVTOMXHPCRIKFP-AQKVLALTSA-N 444.911 4.955 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1(C#N)CCCCC1 1901535397 SOBYWURBYPPEMZ-XMMPIXPASA-N 445.563 4.989 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@]1(O)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924834311 BOQKBHOQGGFANQ-HFZDXXHNSA-N 443.584 4.555 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@]1(O)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924834316 BOQKBHOQGGFANQ-QFQXNSOFSA-N 443.584 4.555 30 10 IJEE C#Cc1ccccc1C[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952134026 BXGDSXIALDIHHX-HHHXNRCGSA-N 425.484 4.592 30 10 IJEE C#CC[C@@H](C)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2020075702 SPROISFFJCSQGO-FYYLOGMGSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038664528 DMMCWBVJOGEYEW-BKMJKUGQSA-N 439.600 4.884 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CC[C@H](CC)N(C(=O)OC(C)(C)C)C1 2040661373 OIZFPEMKKWXYKT-FXSPECFOSA-N 446.632 4.668 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(F)c2)C2(C)CC2)c(I)c1/C=N/O 2079088657 GUZBBEGFKGFODN-CTJICSLTSA-N 441.288 4.695 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2110507260 QUGOGGRJKIYCIE-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174765637 OGVPETPDDSQUFQ-QDMKHBRRSA-N 438.341 4.827 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC1CC1)c1cccc(Br)c1C#N 2174813508 XEEQXVONGMPLKN-INIZCTEOSA-N 434.378 4.937 30 10 IJEE CC[C@@]1(C(=O)Nc2cc(Br)ccc2C#N)CCCCN1C(=O)OC(C)(C)C 2181109253 BSAOWRNRYLSOLX-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)C1(C)C 2186208404 AXGVRYHWNDRQDI-BBRMVZONSA-N 436.350 4.589 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1c(F)ccc(Br)c1F 2231229229 WEDMCLSTZVTLIH-UXHICEINSA-N 426.301 4.512 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)C#Cc1ccccc1Br 2235729727 NULJBQHGTFPKPJ-UHFFFAOYSA-N 428.326 4.751 30 10 IJEE C#CC[C@H](C[C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237424480 JAVLLVYJLLVOCZ-NSISKUIASA-N 435.406 4.652 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237431762 XGLKVDHHAXZEMZ-RTBURBONSA-N 437.422 4.913 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(O)CCCN(C(=O)OC(C)(C)C)CCC1 2257009904 WBVMAWVKQXLEBI-QHCPKHFHSA-N 446.632 4.670 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2261982116 IANGVOYKJVSLDD-PXDATVDWSA-N 447.572 4.704 30 10 IJEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1 2267219003 CAIGOGBIYGYORH-UHFFFAOYSA-N 436.405 4.782 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)c1 2267816835 SBWVZLJRTBQEKG-UHFFFAOYSA-N 439.365 4.683 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@H](C#N)CC23CC3)c1 2288478593 RKASLCNSPXMFLW-ZDUSSCGKSA-N 434.334 4.704 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](O)C#Cc2cccc(Br)c2)C12CCCC2 2296218924 JLEVFHVLHKBABH-RTBURBONSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296231719 HEQUJJHUOWUKHH-UXHICEINSA-N 428.326 4.528 30 10 IJEE Cc1ccc(S(=O)(=O)N=C2C=CC(=O)C(Sc3nc4ccccc4s3)=C2)c(C)c1 2296463563 ZKVXLNVZLCLCPN-UHFFFAOYSA-N 440.571 4.858 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccc(OC)cc3)N(CC)C2=O)ccc1OCC#N 2297462844 RTGLEGQWEWTROQ-UHFFFAOYSA-N 437.521 4.620 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]21 2306521327 JZQIARSYIRAITP-STWLZBDKSA-N 428.573 4.698 30 10 IJEE CN[C@H](C#CC1(SC)CC1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2314652057 JHAOCUTVAXAJRX-OAHLLOKOSA-N 425.392 4.956 30 10 IJEE Cc1ccc(OCCCc2nnc(S)n2N=Cc2ccc(Br)cc2)cc1 2322166897 QFBHGDJXOMECQL-UHFFFAOYSA-N 431.359 4.532 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2324547558 ITSSQMLXXBADJD-UHFFFAOYSA-N 439.552 4.772 30 10 IJEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)ccc1O 2325471571 ACKQGNZSJYXBIE-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 2325715327 HLYFLGQGQIQIPH-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 2325722980 GAUUBPRNVBFJEA-BPUDTRNYSA-N 443.584 4.520 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccnc1 2325820898 IOHRMCNZHZHEPU-UHFFFAOYSA-N 439.585 4.943 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(=O)OC)cc1 2326513088 VVPJWPMTALBNNI-UHFFFAOYSA-N 444.944 4.600 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cc(C)ccc1O 2326689158 SLTVXRZMKSOKDN-UHFFFAOYSA-N 426.542 4.654 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2N=Cc2cc(Br)ccc2F)cc1 2328561454 VOYAGSMJYKQQEB-UHFFFAOYSA-N 449.349 4.773 30 10 IJEE CCCOc1c(C=Nn2c(COc3cccc(C)c3C)nnc2SC)cccc1OC 2328814084 QJTCLEJEPHXGLC-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(Cl)cc1 2330508685 PMOGQKFBAPJRHH-UHFFFAOYSA-N 442.972 4.696 30 10 IJEE COc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)c1O 2330676726 AVDNTRPUSMYMBY-UHFFFAOYSA-N 430.533 4.876 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1Cl 2330778040 NOANSQDHMGXUIB-UHFFFAOYSA-N 449.967 4.895 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331070991 NWJAWVPYASAJEY-UHFFFAOYSA-N 437.404 4.710 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cn(C)c3ccccc23)cc1 2331685159 NRPUHSJNJMUEGA-UHFFFAOYSA-N 446.580 4.815 30 10 IJEE CC[C@H](NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512899 OJERMUQQSIJOAT-NQIIRXRSSA-N 446.441 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339588808 NXOOUVQGVZFIMB-WTWCKAPFSA-N 443.397 4.832 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2360197851 WQWQBVREOFVUGR-OJAHFUOMSA-N 433.390 4.567 30 10 IJEE C#C[C@H](c1cc(C(F)(F)F)ccc1Br)N1CCN(C(=O)OC(C)(C)C)CC1 2362068777 GDWJNNSPSNWLBR-MRXNPFEDSA-N 447.295 4.695 30 10 IJEE C=CCC1([C@@H](NC)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2365233756 GNAGNOHQKLSXGJ-SFHVURJKSA-N 439.394 4.840 30 10 IJEE C[C@@H]1CCC[C@H]1N[C@@H](C#Cc1ccccc1Br)CCNC(=O)OC(C)(C)C 2367588306 DIKGLOKNKYOOBA-IMFGXOCKSA-N 435.406 4.862 30 10 IJEE Cc1ccc(NC(=O)c2sc3ncn(Cc4ccccc4C#N)c(=O)c3c2C)c(C)c1 8898832 VDRPRWASORGGDJ-UHFFFAOYSA-N 428.517 4.556 30 10 IJEE Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N3)c1 20327905 OGLLIQUEHJGRJX-NRFANRHFSA-N 447.520 4.809 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(Cl)s4)cs3)cc2C1=O 24019007 SZYIIEPCZVKBNS-UHFFFAOYSA-N 429.910 4.559 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(Cl)cc2)Nc2cccc(F)c2)c1C 32973402 FYTXLBVFVBCILC-UHFFFAOYSA-N 441.938 4.753 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)o2)c1 33408574 LCSIULZAJRVOQI-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)S/C1=N/c1cccc(C(F)(F)F)c1 33452089 XBGPHFQIJZNBHH-DYLSKWRDSA-N 435.471 4.994 30 10 IJEE O=C1/C(=C\c2ccccc2Br)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 37857754 UQWNRHHEMPKNOD-SRZZPIQSSA-N 449.304 4.812 30 10 IJEE CCc1ccc([C@@H](CNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)N2CCCC2)cc1 40374123 AEFYNPZNDFAGAW-JOCHJYFZSA-N 431.496 4.933 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1c(Cl)cccc1Cl 59311133 MYCHWZYWWIWDSN-UHFFFAOYSA-N 427.361 4.964 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(OC)cc2C)nnc1-c1cccc(OC)c1 59808058 WWCKGBLGAAFIBC-UHFFFAOYSA-N 438.553 4.578 30 10 IJEE CCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1 102993695 STDCXVGEVWJCFO-QFIPXVFZSA-N 429.561 4.909 30 10 IJEE COc1cccc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)c1OCc1c(F)cccc1Cl 169939130 BRFHRZAXAGYYRQ-FQEVSTJZSA-N 446.931 4.593 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccs2)cc1 169985070 CROMMUPPZUTQDK-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccc(OCC(C)C)cc1 169990238 LCYNWMDECDOSJP-HSZRJFAPSA-N 437.536 4.563 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccn2)c1 169991022 ILECLXUKYWFZQU-QHCPKHFHSA-N 427.504 4.547 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccnc2)c1 170012464 FSUWLDFNQBWTAF-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccncc2)c1 170024451 QZVZPJJHMKPKLT-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(N(C)C)cc1 170129715 PKXGCXRIXKLUMK-XDHUDOTRSA-N 448.563 4.845 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3cccnc3)oc12 170194350 PWVAGZCWOKTTJT-OAQYLSRUSA-N 432.476 4.747 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170206626 NOBRSNPEYUOZOU-LJQANCHMSA-N 426.806 4.796 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccncc1 170210567 QKNDBAUCVBONGP-IBGZPJMESA-N 433.533 4.892 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@@H]3c3ccccc3)ccc2O1 170234413 MBAFNKWSYSXBDG-UPCLLVRISA-N 443.474 4.928 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1cccnc1 170317022 SAICOYUKAHHAKJ-BTYIYWSLSA-N 446.528 4.553 30 10 IJEE N#Cc1c(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)sc2c1CCC2 170578620 OOVYLKMORPPUNP-UHFFFAOYSA-N 438.512 4.778 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCC[C@@H]1c1ccnn1C 439500297 WRHUAKXVNPWAQI-XMMPIXPASA-N 429.524 4.938 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC[C@@H]2c2ccnn2C)cc1 439520325 UTVGVYXUKVDLJG-OAQYLSRUSA-N 431.496 4.852 30 10 IJEE CCCc1c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cnn1-c1cccc(C#N)c1 440081152 PIYFPJGYPDVCSL-XMMPIXPASA-N 427.508 4.610 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 441198084 BRWGRNXBMSAJJA-OXJNMPFZSA-N 425.529 4.912 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCc1ccccc1 460426902 LPGYFYGNYMYTMQ-UHFFFAOYSA-N 434.547 4.571 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 460927835 OAZRIWODAIGBKK-GBXCKJPGSA-N 444.535 4.643 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508858328 RMEXRFIFAVDDCJ-MRXNPFEDSA-N 431.512 4.881 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)c2cc(F)ccc2F)nnc1[C@H]1COc2ccccc2O1 517357150 BFYHYBBWXLZIFV-ORAYPTAESA-N 443.475 4.618 30 10 IJEE CCOc1cc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526517873 XLOFAIGEVMYYRI-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3ncccc3C)CC2)c1 585860882 YWQCCFNMZGPFFD-UHFFFAOYSA-N 435.572 4.654 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(C(C)=O)cc1 586218500 HCSUCULTWHWHQS-UHFFFAOYSA-N 448.544 4.782 30 10 IJEE Cc1cc(N(CC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1Br 586243604 JWCPHPUDQALTMC-UHFFFAOYSA-N 434.142 4.783 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(I)ccc1Br 692277924 XPOJDSAEJVPXDD-ABAIWWIYSA-N 448.142 4.918 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC[C@H]2C1 698867984 PAAFJGBMJKTXBN-MDOVXXIYSA-N 447.498 4.715 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)c(Br)c1)c1ccccc1F 721305092 WGTZKIXITAYXKP-NSHDSACASA-N 444.041 4.683 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@H](C)c1cccs1 733200714 KCFDIHQLDVHMCB-AQCRCWNCSA-N 439.606 4.778 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nnc(N2CCCCC2)n1Cc1ccco1 735230551 MTUBBCSAYSNVHK-UHFFFAOYSA-N 443.960 4.758 30 10 IJEE COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1C#N 747071487 ZBBQCCRCEKYSAC-UHFFFAOYSA-N 427.435 4.958 30 10 IJEE CC1(C#N)CCN(C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC1 780779597 OKVGTGLQMGUANR-UHFFFAOYSA-N 435.325 4.825 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809926572 ZTVRPTHDBYJMCH-MUUNZHRXSA-N 438.575 4.739 30 10 IJEE Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 917613706 QMVWHCWZRRYLBY-UHFFFAOYSA-O 431.497 4.694 30 10 IJEE COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)C(=Nc2cc(Cl)cc(Cl)c2)S1 1084393604 JEXXJCRWQDZMFA-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C(=O)OC)cc1)c1ccc2c(c1)OCO2 1124210710 HJFPDXIACHLFMS-UHFFFAOYSA-N 445.471 4.614 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)c(C(=O)OCC)c1C 1124822287 ZUCCIIDHMBVGGT-QGZVFWFLSA-N 445.537 4.681 30 10 IJEE CCO[C@H]1C[C@H](N(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C12CCCCC2 1126659637 BNHNIJPUNFXQHC-GOTSBHOMSA-N 427.564 4.500 30 10 IJEE Cc1cc(Br)c(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1Br 1128450100 FATPLZGDGUBDAG-UHFFFAOYSA-N 442.538 4.975 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCc1cn2ccccc2n1)c1ccc(Cl)cc1F 1129735358 MGLGRXYIZULWCX-OAQYLSRUSA-N 433.870 4.810 30 10 IJEE C=CC[C@H](C(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1131832849 PBJTYVIZJWHUFN-GOTSBHOMSA-N 442.600 4.611 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nnc(-c3c(F)cccc3F)s2)cc1OC 1132224384 LCUPQTOWVXUAHZ-NTMALXAHSA-N 429.448 4.709 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1ccccc1 1134862161 PUMMGOXMMHRKOA-HHHXNRCGSA-N 444.354 4.547 30 10 IJEE CC(C)[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)N1C[C@@H](C)O[C@H](C)C1 1137036633 BAUZWXRYCPYIPT-SEPYTNNBSA-N 425.504 4.562 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 1143507124 JGHGWSRYHNTCAW-OAQYLSRUSA-N 436.335 4.709 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cnc(-c2cc(Br)ccc2OC)s1 1159777692 GRGVEOWLVPMINY-HNNXBMFYSA-N 449.370 4.721 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O 1189649371 GVYKZYWNUSSVAW-ZDUSSCGKSA-N 444.969 4.658 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1193346838 YUPZWSKSWCGBSO-JXFKEZNVSA-N 438.515 4.744 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1 1199059355 QGXCCJZQUGBQGI-ZEQRLZLVSA-N 433.552 4.621 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1OCC 1201473210 IZOJKKGBORZFSO-HBGVWJBISA-N 436.390 4.850 30 10 IJEE CC(C)(NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C(=O)NCC1CCCC1 1205358805 FPABEAINCLCRDV-UHFFFAOYSA-N 436.581 4.916 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(Br)cc1 1214792514 NVEMYZHMOKZJDA-GOSISDBHSA-N 434.284 4.824 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 1220350382 BTDSMZRKOFMSPG-UHFFFAOYSA-N 439.559 4.624 30 10 IJEE C#CCN(C(=O)NCC(C)(C)c1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1224234367 HKUAHAQBGHKMLL-UHFFFAOYSA-N 448.007 4.662 30 10 IJEE C=CCCCCCCNC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1228040599 KIIRCHKNXVCJFW-OALUTQOASA-N 443.485 4.508 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cc(C(F)(F)F)nn1C)c1ccc(C(F)(F)F)cc1 1230694345 SPTOGIICQCKXFK-OAHLLOKOSA-N 434.384 4.964 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(N3CCOCC3)cc2C)s1 1264493560 UGOXJEKTKKLFOQ-UHFFFAOYSA-N 438.018 4.622 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1264785180 WDNKPKHCSVZTOF-GCJKJVERSA-N 430.907 4.981 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(-c2cccc(C#N)c2)cc1 1268921456 DLEWZSCROBYKEQ-JTSKRJEESA-N 427.479 4.595 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)n(-c2ccc(C#N)cc2)n1 1272252241 APERYGGNDUVMOX-QGZVFWFLSA-N 434.927 4.885 30 10 IJEE Cc1c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)nnn1-c1cccc(Cl)c1 1276765758 BGUJNGQESMEJRR-CYBMUJFWSA-N 447.848 4.802 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)C1 1280379684 YDVLQKKMPMGKGD-CYBMUJFWSA-N 429.303 4.832 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccco1)N(CC)CC 1286440078 MMXUUABIOUPKOK-HSZRJFAPSA-N 442.567 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1286515647 LHBCNBJUMQDVSN-XMMPIXPASA-N 426.008 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1286567552 RBCPHBAKBKJZCO-ZYKOEDHHSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCc1nc(C(F)(F)F)cs1 1286579880 QWRTVONSBBGOMM-AWEZNQCLSA-N 429.512 4.640 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN(C)[C@@H](C)CC)CC1 1286651783 LKLPJJUFLMZZKG-OALUTQOASA-N 429.584 4.690 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1286684482 IHYUPWSDORRMNE-IBGZPJMESA-N 442.629 4.721 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H]1C(C)C 1286749129 LCLNGYSOXXWORC-DENIHFKCSA-N 437.613 4.964 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2sccc2C1)C(C)C 1286751254 OFLTXPFAWZKICD-JOCHJYFZSA-N 448.640 4.663 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC(C)(C)NC(=O)OC(C)(C)C 1286754298 SMFMFOKHHYESAK-UHFFFAOYSA-N 425.577 4.735 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286772022 GVIQAWZOBYJOCZ-QZTJIDSGSA-N 433.394 4.842 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286826628 NWYUQTGEBLOEIU-UHFFFAOYSA-N 437.613 4.709 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)c1 1290333056 FXQHWWJDVDXDQA-HSZRJFAPSA-N 449.605 4.792 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1295673782 PGHRWIIWZKUOEA-UHFFFAOYSA-N 438.549 4.568 30 10 IJEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)C(C)C 1297150960 UMCBJNBKDHPWDY-QHCPKHFHSA-N 432.545 4.542 30 10 IJEE C#C[C@H](NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccc(Cl)cc1F 1297712847 OJRPZAJJOJJVQH-HNNXBMFYSA-N 432.680 4.736 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1300282892 KCCJEQQNUUGDCP-AKHDSKFASA-N 426.630 4.937 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cn2ccc(C)cc2n1 1300286737 NQHCZMROYBIZTI-HNNXBMFYSA-N 439.350 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300298702 GWRQQWOEJFGYFC-ZCNNSNEGSA-N 432.616 4.641 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)CC(C)C 1300357298 LZHIYSQNGCQXBJ-UHFFFAOYSA-N 434.588 4.522 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC(CN2CCCCCC2)CC1 1300371373 RFNLOTOWPGXPTI-UHFFFAOYSA-N 447.671 4.959 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(-c2ccsc2)nc1 1300446798 TWBHCNFASSEAON-UHFFFAOYSA-N 449.967 4.848 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC(C)C)C(C)C 1300877978 YZTGCHZTZPBHOL-NFBKMPQASA-N 440.588 4.568 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1300935196 MXOJNMNNDOBLCF-YJBOKZPZSA-N 431.968 4.524 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1301135768 RMSMKZGRYDLJIH-AZUAARDMSA-N 442.629 4.797 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1301188872 PIJBCISJVHXCGR-UHFFFAOYSA-N 437.632 4.964 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301208313 RPTXMSKDYKRZCJ-AREMUKBSSA-N 448.615 4.694 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N1CCCCCC1 1301279204 YRUXOMMCZOVPPK-SFHVURJKSA-N 441.645 4.546 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1301339086 GIJRJODXBHCOMZ-XAJLNHFYSA-N 447.627 4.872 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2csc(C(C)(C)C)n2)C1 1301555171 AATBDEPDMMXDTQ-GOSISDBHSA-N 431.650 4.645 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)NC[C@H]2CCCN2CC(F)(F)F)cc1 1303405756 FCWYMDLHHZNUSS-GOSISDBHSA-N 433.499 4.607 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2CC[C@@H](C)N2CCCCC2)cc1 1304431297 FNUWMXASLHZWTQ-LEWJYISDSA-N 440.661 4.739 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCOC[C@H]2C)cc1 1304437418 GXEPKUQALRGYRV-YOSAUDMPSA-N 439.629 4.682 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(OC(C)C)nc1 1305659751 HPIWLPFXHAFCNL-HSZRJFAPSA-N 444.583 4.790 30 10 IJEE C#CCN(c1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CCOc2ccc(Br)cc21 1306969963 ZEPOECNDYITNBN-MRXNPFEDSA-N 444.310 4.930 30 10 IJEE Cc1cc(Sc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)ncc1C#N 1307080087 CFVJEXXFDQUCPK-UHFFFAOYSA-N 449.333 4.875 30 10 IJEE CCCn1c(SC[C@H](O)CC#N)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)CC)C3 1307268796 BUSGOCIMWNUSMX-HUUCEWRRSA-N 433.643 4.776 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2cc(I)ccc2Br)C1 1310254283 BSETYSSAVXTPTN-NSHDSACASA-N 449.130 4.874 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)Cc1c(OC)cc(OC)cc1OC 1312720383 INDPDOMWZIDYFC-AWEZNQCLSA-N 438.977 4.756 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1F 1312936657 JHDDMBAXHLJQJQ-AUSIDOKSSA-N 449.954 4.586 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)c1ccccc1 1312939454 HBJNEBNBKKJUPU-JOCHJYFZSA-N 442.494 4.912 30 10 IJEE CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1349104834 FXUCMHAUVUSDCO-OAHLLOKOSA-N 435.421 4.970 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)cc1 1354564844 OAYICFBVUAMSST-CQSZACIVSA-N 441.380 4.617 30 10 IJEE C#CC[C@]1(C(=O)NCc2cccc(Oc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1355079729 ZRWYSAZXVINLKJ-AREMUKBSSA-N 434.536 4.888 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1scc(Br)c1Br 1357283353 ABOAUIWLDYFPNN-UHFFFAOYSA-N 440.160 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCCCCO 1358879506 SJFPMNQUZMNZFM-KRWDZBQOSA-N 426.561 4.823 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1358920769 HPSZOOKQMRAQNX-VXKWHMMOSA-N 447.558 4.815 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1358936457 NXYJERPDKXDGKT-KCZVDYSFSA-N 440.588 4.691 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1c(C)coc1C 1358970330 MAHJEJGNYZMRGO-UHFFFAOYSA-N 437.547 4.684 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1358972801 TZPNADDPLDNCKA-QHCPKHFHSA-N 445.655 4.683 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H](C)c1ccccc1 1359065341 OPHXVUVCBLYLKV-RMUDUWAUSA-N 436.600 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359095017 JAOBWPXUFQVOHT-VABKMULXSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1cccs1)N(C)C 1359109839 QRIJQANCOVVVJI-FQEVSTJZSA-N 425.602 4.721 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359123496 RHEIMIAMFRPVSO-AZUAARDMSA-N 431.625 4.717 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)NCCCC)CC1 1359142524 KBBIVVCUHXLQIO-NRFANRHFSA-N 444.023 4.705 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC1(COC)CCC1 1359233629 LWYABXIDURBIDH-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCOc2ccccc2Cl)C1 1359324125 DBCDNVVREAQTNR-LJQANCHMSA-N 430.980 4.525 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(C)C)CC2)cc1 1359954295 FFQVNEGNIIWOCM-QFIPXVFZSA-N 437.588 4.535 30 10 IJEE C#CCN(C(=O)c1cc(Cl)ccc1OC)[C@@H]1CCOc2ccc(Br)cc21 1360310691 KAHQRAHQUZJBOD-QGZVFWFLSA-N 434.717 4.710 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@](C)(O)c2ccsc2)c2ccccc2n1 1361044884 HNBMTZCLEGLJHD-XDHUDOTRSA-N 446.580 4.509 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(F)cc3Br)nnc2N(C)C[C@@H](C)C#N)s1 1361271754 AONSSZJOYBWBCR-LBPRGKRZSA-N 448.365 4.861 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 1435137064 PGGQDCGIUOYPQC-QPPBQGQZSA-N 430.529 4.801 30 10 IJEE N#C[C@H](NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1ccccc1Br 1437946078 YORSWILZPZQLOC-SFHVURJKSA-N 442.700 4.865 30 10 IJEE C=CC1(CC(=O)Nc2ccc(CN3CCC(C)CC3)cc2)CN(C(=O)OC(C)(C)C)C1 1441610109 HFIQZFDTYQXRLJ-UHFFFAOYSA-N 427.589 4.670 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 1442182471 MUSKLDJXHNAPBO-FUHWJXTLSA-N 438.952 4.609 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)CSc1ccccc1OC 1443716069 VIWDBPJYTWLLEJ-GOEBONIOSA-N 443.009 4.576 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1452999704 OOJVDRMCNRQSIA-CYBMUJFWSA-N 425.369 4.997 30 10 IJEE C=C(C)[C@H](N[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(F)c(F)c1 1462108750 BGGHUDHZPJGPKV-ZQMYSKGWSA-N 430.495 4.598 30 10 IJEE COCCc1noc(-c2cc(Cl)ccc2NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)n1 1465802342 BINDHQWFKXTCHB-AWEZNQCLSA-N 439.903 4.675 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1470357358 GXPYFVGZMHNIBR-QFBILLFUSA-N 440.506 4.792 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)NCc1cc(C#N)ccc1F 1471349986 FUOSYWFJAGVJAS-FQEVSTJZSA-N 448.464 4.917 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](Nc3ccccc3)C2)n(C2CCCCC2)c1C 1473238132 BDSXBJLCVQZSDE-QFIPXVFZSA-N 433.600 4.997 30 10 IJEE C=CCN(C(=O)CN(C)C[C@@H](C)OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1473450313 OFPPTTVKBJZIFH-CYBMUJFWSA-N 428.385 4.603 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 1479296567 DXCJWROZIKMTMR-CYBMUJFWSA-N 436.281 4.955 30 10 IJEE CC[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(Oc2ccccc2F)c1 1495452323 GWARXXXBYWQVSY-WAIKUNEKSA-N 438.482 4.608 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)cs1 1503921650 DFQALWQPPKHKBK-HOTGVXAUSA-N 448.552 4.819 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(COC)CCCCC1 1507544919 FXJBLPZRUJBZEC-SFHVURJKSA-N 430.980 4.565 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1507559670 WNLKUVCJYAFRAO-FGZHOGPDSA-N 435.616 4.578 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CC(OCC)C1 1507644982 QVHZLBSNKNAFGW-UHFFFAOYSA-N 436.625 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1Nc1ccn(C)n1 1507807045 BXAHSLBCTVTNLR-QRWLVFNGSA-N 444.992 4.682 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507916452 QTWJWSUEAJBDRR-DHIUTWEWSA-N 443.680 4.867 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)CCC(C)C 1507975992 ZIWQOYBFMQKNIR-OAQYLSRUSA-N 435.410 4.825 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)SC 1507998170 MIBFZNFWEVAPEF-FQEVSTJZSA-N 430.618 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCOc1ccccc1 1508006395 CWJCUYDOCNXQKA-UHFFFAOYSA-N 431.565 4.982 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1508007700 FPGDNSDMWIFPGU-IBGZPJMESA-N 443.567 4.572 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[C@@H]21)C(C)C 1508011397 RDLZJCIRTURPTK-QHAWAJNXSA-N 441.023 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCSC1(C)C 1508032821 IDUYCVJPHUZBJD-RBUKOAKNSA-N 430.618 4.532 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCC(C)=C(Br)C1 1508107661 DZUFHEBNNRKMHZ-UHFFFAOYSA-N 443.389 4.723 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(CN3CCCCC3)cc2)C1 1508110169 SFXUEAXHEYMKKQ-URXFXBBRSA-N 437.632 4.607 30 10 IJEE CN(Cc1cc(Br)cs1)c1nnc(-c2cccc(C#N)c2)n1CC1CC1 1517098922 DCXKPXVLGZXFNL-UHFFFAOYSA-N 428.359 4.687 30 10 IJEE C=CC[C@H](CC)NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 1519718434 GOBZNXBPUFAUJI-DNVKUUNQSA-N 436.552 4.659 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2ccc(C)cn2)cc1 1523507963 QWHPTYNNKBSWPL-UHFFFAOYSA-N 433.460 4.925 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1524739039 GUXNGVSUSQXNLR-QKKBWIMNSA-N 425.356 4.964 30 10 IJEE C#C[C@@H](NC(=O)[C@@]1(CC=C)CCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1525053970 HUXGVYDULHRENR-XMSQKQJNSA-N 447.373 4.585 30 10 IJEE O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1525973688 BHULJEMIRJRUAK-HNNXBMFYSA-N 448.338 4.789 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccnn2-c2ccc(C#N)cc2)s1 1529618394 IBOHOEPEDAXJPH-UHFFFAOYSA-N 429.958 4.535 30 10 IJEE C=C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)c1ccccc1 1532387294 JWNCFSNFZDCAID-UZLBHIALSA-N 433.957 4.845 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)C(F)(F)F)cc1 1532557382 BXFZEZJAIHWMOP-OXQOHEQNSA-N 433.451 4.590 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1533767858 WQZQXFRIIPUNRS-HZAQMHFWSA-N 446.491 4.598 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](c3cccc(F)c3)c3cccc(Cl)c3)CC2=O)cc1 1533876725 FXIULHUKOOQARL-DVECYGJZSA-N 447.897 4.609 30 10 IJEE C#CCOc1ccccc1CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 1538241846 XXJSUUPIBXQSPH-UHFFFAOYSA-N 426.488 4.694 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CC2(CCOCC2)C1 1538971489 HDXPBZSVFSDRQM-QZTJIDSGSA-N 442.991 4.736 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC(C)CC1 1539119630 LKZRWICJMSMYSX-NYLDSWQDSA-N 443.636 4.821 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(C)c(OC)c1 1539154741 MWBHINOZVDOMCK-UHFFFAOYSA-N 434.609 4.905 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](SCC)C1 1539631127 JAAKDECCVZDAPW-NCYKPQTJSA-N 434.650 4.613 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)c2ncc(C)s2)CC1 1539891675 IVUVSUVZQDHKJI-INIZCTEOSA-N 425.577 4.979 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1540112639 YUUXPVLCENJUPD-FNZWTVRRSA-N 437.632 4.543 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCc2ccc(Cl)nc2C1 1540856403 VDLUSPZHAUKRTC-UHFFFAOYSA-N 439.947 4.540 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)C(F)(F)F)C1 1540885486 KAUARQIVAHMHAH-INIZCTEOSA-N 428.886 4.968 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1541378648 FNMWEBYQCCXRQT-VXKWHMMOSA-N 437.588 4.560 30 10 IJEE Cc1ccc(OC[C@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 1542396007 AKPFBCBVAHVBCL-SFHVURJKSA-N 425.960 4.710 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H]2CCCCO2)cc1C 1542471771 DVQJFBLHDDPEPC-SQJMNOBHSA-N 437.588 4.563 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(CC)CC)nc2)C1 1546653728 FYDDLDWMVFRGQT-FQEVSTJZSA-N 443.599 4.733 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2sccc2NC(=O)Cc2ccc(Br)cc2)C1 1570661702 GPOMNFQRXKEKAG-MRXNPFEDSA-N 445.382 4.567 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCNC(=O)OCc1ccccc1 1583506519 ROFLHFBBGMGDLP-UHFFFAOYSA-N 447.329 4.659 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)c1ccc(Cl)cc1 1584688936 DUVFAGCZPWCMCU-KRWDZBQOSA-N 428.294 4.911 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 1585593129 BBUOCXPKIOFXNJ-NRFANRHFSA-N 431.504 4.602 30 10 IJEE CSc1nc(C)c(CCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c(C)n1 1585624663 HWFGRBDQLRLKHF-ZDUSSCGKSA-N 436.503 4.708 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1587769670 KUKNWMLHUASVAH-LJQANCHMSA-N 437.588 4.824 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](CCC)OC 1588283725 DFWAAIVRWVLUQK-HNNXBMFYSA-N 439.785 4.636 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N(CC)CC 1588289131 YQJDGZRURAPSQT-FQEVSTJZSA-N 443.954 4.873 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(C)(C)C)C1 1588983669 BICSNPQANHDJGZ-ZWKOTPCHSA-N 430.593 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1589642092 UXQDEUAJISLGLI-DEOSSOPVSA-N 432.616 4.916 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1593763276 FXRUFVIMCXNHIF-SFHVURJKSA-N 432.996 4.976 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1594581765 AWUZYFVYAXNWBH-HXUWFJFHSA-N 435.572 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CC#N)CC1 1594697752 GBHWCGDYZXCURE-UHFFFAOYSA-N 432.341 4.943 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1595133883 NQTDTTWHJVSBQH-IBGZPJMESA-N 436.579 4.658 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCCC1 1595178535 KTZGRYAZBSHYCK-UHFFFAOYSA-N 431.378 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCCCCC1 1595190783 GZCNWYDAGULZRS-UHFFFAOYSA-N 430.980 4.871 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 1595477350 XXKSSGFKSZRNAG-MJGOQNOKSA-N 427.545 4.783 30 10 IJEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(CC)C1CCCCC1 1595594800 PQXSOGNDIIYLKX-UHFFFAOYSA-N 448.036 4.685 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(=C)CC2)cc1 1595639731 IWOPHAUSVQSXNW-DHIUTWEWSA-N 436.600 4.966 30 10 IJEE C#CC[C@@H](COC)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1595818204 QELPWHLQRKAYHG-HNNXBMFYSA-N 436.364 4.529 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1595866274 FFIBONCBRKJXAZ-UHFFFAOYSA-N 435.597 4.885 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1595879618 ZHEGHSUVEYEOMI-INIZCTEOSA-N 440.539 4.522 30 10 IJEE CC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1597372775 DFDFXUSGHPWCDG-JOCHJYFZSA-N 449.555 4.726 30 10 IJEE C#Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 1597402667 IQORDLPYHHYPCJ-RDGATRHJSA-N 428.557 4.839 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCOc1ccc(Cl)cc1C 1597552152 MQSPFJHSZHPPPV-MRXNPFEDSA-N 431.360 4.569 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 1597799930 FQLNYMNGPBKJCW-HNNXBMFYSA-N 438.062 4.960 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CC(F)(F)C2)cc1 1607165116 CHWBDWAXXTWRAW-JOCHJYFZSA-N 447.505 4.857 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccnc1OC1CCCC1 1612258562 HOPJBJSHNXQZOP-SFHVURJKSA-N 430.556 4.614 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](C)N1CCC[C@H](C)C1 1612777717 BJWOUQUTBAYHKK-SFTDATJTSA-N 432.616 4.687 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1 1618174385 WOSKPWIQIXJCPS-SCLBCKFNSA-N 429.567 4.821 30 10 IJEE C=CC[C@@]1(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1618710303 VATUWGRIBPFEKQ-QHCPKHFHSA-N 436.955 4.826 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 1623670387 ABIQCOQJDZJOTC-UHFFFAOYSA-N 439.581 4.533 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F)c1ccc(F)c(F)c1 1626385252 YBYLTTJQYOGDMB-LJQANCHMSA-N 440.393 4.834 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](O)c3cccc(OCc4ccccc4)c3)cc21 1627746150 ABJRIBJQKDBSDU-VWLOTQADSA-N 442.519 4.656 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](CCC)C(=O)Nc2cccc(N3CCCC3)c2)c(Cl)c1 1627810413 BFOVEWDRDRDDEW-QFIPXVFZSA-N 438.959 4.850 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1)C(C)C 1628517172 LIRPCCRZWORPLW-RUZDIDTESA-N 436.600 4.674 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1629242772 ONGWTDDAXNRBMK-SIKLNZKXSA-N 426.582 4.969 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCc3ccc(F)cc3)C3CCCC3)n[nH]2)c1C 1631649842 KFEUQFHGAASJGQ-UHFFFAOYSA-N 435.547 4.843 30 10 IJEE O=C(c1cc(C(F)(F)F)ccc1F)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1634400174 FWPWNDGEOZVAMF-UHFFFAOYSA-N 436.327 4.942 30 10 IJEE C=CC1(CC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1634691261 BALYYCFICZBXJH-UHFFFAOYSA-N 432.511 4.784 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1635191241 DXXAPPOGMMPHCV-NHCUHLMSSA-N 442.918 4.804 30 10 IJEE C=CCc1cc(C(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc(OC)c1OC 1635669324 IDUZVFKAZGWANT-LJQANCHMSA-N 446.588 4.588 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H](C)C2)c1 1638820428 ANQIDGUQCRJCKH-SFHVURJKSA-N 447.000 4.984 30 10 IJEE C=C[C@H](C)ONC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1640635513 SSJGJYZSSKSLCF-BVZFJXPGSA-N 442.515 4.889 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccccc1C 1640967709 YMZUQBZQQYOWFE-LJQANCHMSA-N 427.957 4.969 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2Br)c1C 1641581964 CCEQQMLOWNUNHN-HXUWFJFHSA-N 429.358 4.997 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)CC1 1644856965 SCFKSDLSQHAPFQ-XYWHTSSQSA-N 438.593 4.752 30 10 IJEE C=CCn1c(S[C@H](C(=O)OCC)C(C)(C)C)nnc1-c1ccc(Br)cc1 1652472571 WSDDGGPVMXEOOZ-OAHLLOKOSA-N 438.391 4.964 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N(C)CCCc3cc(-c4ccccc4)n[nH]3)c2c1 1654994104 GGYDSJKZWPXUBS-UHFFFAOYSA-N 427.508 4.583 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)CC1CCCCC1 1657316620 JQFQKNHEMLXSTK-UHFFFAOYSA-N 429.586 4.834 30 10 IJEE N#Cc1ccccc1N1CCC(NCc2ccc(Br)c(Br)c2)CC1 1657773070 IDELUFPKNRKARE-UHFFFAOYSA-N 449.190 4.842 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1658740250 YPDFAXXPUDIBGQ-MJGOQNOKSA-N 447.442 4.978 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(OC)c(F)c2)cc(OC)c1OC 1667710908 BIYVUWWTBHCIOR-HXUWFJFHSA-N 428.504 4.627 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C12CCC2 1670293931 DJYUNHOXACCBQQ-CVEARBPZSA-N 432.590 4.875 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCN(c2ccccc2F)CC1 1670845659 SCHHBUSZFLQGKN-UHFFFAOYSA-N 448.336 4.897 30 10 IJEE C[C@@H](C#N)CNC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1671539572 GLPJCTBSTSJNFL-SCLBCKFNSA-N 437.396 4.613 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)Nc3cc(C#N)ccc3F)CC2)C1 1672125456 DNMIXUILTFFFJQ-SFHVURJKSA-N 430.524 4.588 30 10 IJEE C#CCN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 1672207916 OHMCYYLSCWMFTE-UHFFFAOYSA-N 444.601 4.784 30 10 IJEE C[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 1673275638 CPWKOWFGVDEDTG-LJQANCHMSA-N 427.508 4.656 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(Cl)cc1F 1675575889 BWWFEMVAHPFEDO-OAQYLSRUSA-N 427.907 4.782 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cc(NC(=O)OC(C)(C)C)ccn1)c1ccc(F)c(F)c1 1681556967 OSWBQGAEVGPUHB-IBGZPJMESA-N 432.471 4.823 30 10 IJEE C=C(CC)CNC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1683144458 WFABYRWJJSPTHH-IBGZPJMESA-N 429.561 4.545 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1nccs1 1690059218 LQZAATYRPCDHHR-CVEARBPZSA-N 429.977 4.791 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccsc1Br 1690209067 IYGDWZLZERVSKV-HXUWFJFHSA-N 433.419 4.875 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1690230476 FBBAJJQRVJNPCA-AWEZNQCLSA-N 433.375 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C)=C(Br)C1 1690241114 OPUPUIXDDOJLDZ-APWZRJJASA-N 447.377 4.707 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1690278828 SCWRVGKCZSXJFA-KRWDZBQOSA-N 447.505 4.978 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1690304854 PKPQJXCRNCEGTG-QGZVFWFLSA-N 448.976 4.732 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCSC2)CC1 1690417021 BACRLHHIVAPYEZ-GOSISDBHSA-N 430.643 4.735 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1690435788 GNXGDMOXNIBCGC-NRFANRHFSA-N 443.680 4.992 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2ccsc2)nnc1[C@@]1(OCC)CCOC1 1690439493 HFZFCSYDBWVWQU-WMZHIEFXSA-N 430.618 4.936 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690474199 VQOMTCSUPOMFOE-CGTJXYLNSA-N 449.368 4.532 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CCOc1ncccc1Cl)C1CC1 1690539706 JOLBGMAXSIHTDA-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690578259 SRNMHSUCYYIVDC-NJDAHSKKSA-N 443.661 4.547 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cc1 1690679087 KIWIGBDEVUVPPP-RUZDIDTESA-N 435.572 4.528 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2CCN(CC)CC2)C1 1690689844 MMHUBLDOWPJPBE-JOCHJYFZSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(Br)cc2)C1 1690705893 FKELSKXVCCEQHW-IBGZPJMESA-N 447.421 4.653 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1690744304 MDRPBVRJOFHBEM-MSOLQXFVSA-N 433.647 4.588 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C1 1692845038 BSDYNTWNUFYSBK-SIKLNZKXSA-N 446.020 4.926 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(C)(C)C)C2)cn1 1695456421 FUPBZLAKWSKEBL-JOCHJYFZSA-N 444.583 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccsc1 1705482594 CJORCZDCYOUHKA-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1CCCCC1 1705502192 DIFXVNHVVHIFSI-INIZCTEOSA-N 431.378 4.658 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(F)(F)F)CC1 1705523416 WVMOZUCSVXOQIQ-QZTJIDSGSA-N 426.527 4.779 30 10 IJEE C#CCCCn1c(N2CCc3ccccc3[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539539 UQUHOIYMQIIJCM-NRSPTQNISA-N 449.599 4.586 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(CCC)CCC2)CC1 1705632739 AMECYYPEHOQWDP-QHCPKHFHSA-N 449.643 4.761 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1ccsc1 1705664232 KXKBXOVWVWBXDQ-OAQYLSRUSA-N 438.622 4.935 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1705731691 AQTLIIHKFRABAT-JOCHJYFZSA-N 426.605 4.697 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1705765550 RBWYHLFDENQEEC-ZWKOTPCHSA-N 445.405 4.988 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2oncc2C1 1705786386 MSUFBVFUVBYAFO-INIZCTEOSA-N 425.508 4.710 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1705830513 RLNJGYZCAWWRBR-QFIPXVFZSA-N 425.621 4.565 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOCC1CCOCC1 1722284242 IRXAGRUHXDZTCQ-FQEVSTJZSA-N 438.616 4.534 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCOc1cccc(C(F)(F)F)n1 1722287557 ONPMMMXPDKQKJM-CQSZACIVSA-N 449.864 4.549 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(F)(F)F)CC1 1722309778 FDJVDMNYKSWZDE-UHFFFAOYSA-N 435.450 4.826 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)(C)C)CC1 1722326604 HFCYAAFYMDFBLL-UHFFFAOYSA-N 444.627 4.687 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OCCC 1722471499 YZJHIIFYHAFASR-XMMPIXPASA-N 435.959 4.823 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1722483299 BOIHOLHYQKUWRQ-MRXNPFEDSA-N 443.393 4.646 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1722558871 BMHHENMENJHFSC-GOSISDBHSA-N 429.515 4.739 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(OC)C2CC2)CC1 1722582344 KUHHFMPPECNVQE-QHCPKHFHSA-N 430.980 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)C1CCCC1 1722592523 ZZAPXENMCLERKQ-UHFFFAOYSA-N 444.649 4.609 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722601963 NYAGESDKYCCLEC-KRWDZBQOSA-N 440.979 4.691 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(SC)CCOCC1)C1CC1 1722646252 LBIZYYXECKYFRL-UHFFFAOYSA-N 449.020 4.674 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1722743213 UUGIXGRDQGROBU-HXUWFJFHSA-N 426.630 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cn(CCCC)nc1C 1740539176 RTMPIEAIWUGIMI-LJQANCHMSA-N 441.583 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(OC)cc1 1740540688 YBHWAHVVUUUDST-GOSISDBHSA-N 434.609 4.985 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C(C)C)C(C)C 1740541255 VUEDFBZOTXLTTM-SFHVURJKSA-N 446.437 4.593 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1740576731 FAGRQFIGWDQEBC-UHFFFAOYSA-N 448.537 4.871 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1740584364 GAPDUGKATGYXAU-HSZRJFAPSA-N 431.584 4.627 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCO[C@@H]1C(C)C 1740648871 LCYPSKOXIWUSSE-JBRSBNLGSA-N 448.611 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCC1(COC)CCC1 1740728342 WDFWAQBQDDHUTC-JOCHJYFZSA-N 430.955 4.937 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1sc(C)nc1C)C1CC1 1740906165 LWXBYZTWNAPKMI-HNNXBMFYSA-N 427.549 4.834 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCS1 1740938377 FEQGQGLTMXDTET-AEFFLSMTSA-N 432.659 4.666 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CCc1ccc(Br)s1 1741128806 CWAUOZJGJRLYKL-CYBMUJFWSA-N 448.365 4.747 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCc1csc(C(C)(C)C)n1 1741433285 DFKYWESIORCRDF-UHFFFAOYSA-N 436.629 4.981 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc2c(s1)C[C@@H](C)CC2 1748654072 DTHFVVSJXCVHOT-UONOGXRCSA-N 443.979 4.825 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@@H](CC)C1 1748740832 YSNYFAYHOQQOLX-KRWDZBQOSA-N 433.419 4.761 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1Cl 1749127067 JEDIYLBKSXOJJT-SIKLNZKXSA-N 437.975 4.920 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1749131021 PLTHKJINTTXITH-RRPUWOKSSA-N 442.579 4.565 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCOC2CCCCC2)CC1 1749311131 GAYQJHRVLPQNCI-UHFFFAOYSA-N 428.552 4.892 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2sc(C)nc2C)CC1 1749335747 UKWWJWVLXLAFAS-UHFFFAOYSA-N 428.993 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(Br)cc2)CC1 1749336542 OMUWYGKIGUNDPN-UHFFFAOYSA-N 426.362 4.681 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](n2cncn2)C1 1749417736 NIIIUYUJQOTZKH-INIZCTEOSA-N 432.359 4.651 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1749421722 OTEILKNUOYMSRP-FQEVSTJZSA-N 445.995 4.514 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1749479187 SODAYTILWPQQOT-OALUTQOASA-N 425.577 4.550 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)N(C)C 1749549015 OXZSAOZNCFYYAM-GOSISDBHSA-N 432.597 4.698 30 10 IJEE Cc1cc(C)n(-c2ccc(Cn3c(N(CCC#N)CCC(C)C)nnc3C(C)(C)C)cn2)n1 1751827400 DSUNOGSBDIZAAK-UHFFFAOYSA-N 448.619 4.588 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(SC)CCC1 1760210565 TXAGUVKPPZDDJL-OAQYLSRUSA-N 436.625 4.784 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC(c2ccccc2CO)CC1 1760308008 WRZOSLVELGXCLC-UHFFFAOYSA-N 445.405 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCc1ccncc1 1760330876 FJRURUXZYLTYTN-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC(C)(C)C)CC1 1760381495 OJWBRYCTYQCHHL-UHFFFAOYSA-N 429.996 4.844 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(OC)CCC(C)CC2)CC1 1760384271 QOIKHVBUJHBVJV-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=C(Cl)Cn1c(N2CCC(C)(c3ccc(C)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1760388423 SRHXWPKDGQVWJR-XMMPIXPASA-N 445.007 4.549 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1760411175 FWDZSGDIMSTBLU-ROUUACIJSA-N 434.588 4.512 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1)C(C)C 1760488065 KWAJXSCWNWZUCS-XMMPIXPASA-N 444.627 4.896 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760566456 UOQPYTJQKIICAL-LJQANCHMSA-N 436.572 4.642 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CC1(N(C)C)CCCCC1 1767090617 GSEGOLQSORJTHB-UHFFFAOYSA-N 434.632 4.783 30 10 IJEE O=C1C(=NO)c2cc(Br)ccc2N1CCCOc1cccc2ccccc12 1772729120 YKRSMIQTNQYIAS-UHFFFAOYSA-N 425.282 4.596 30 10 IJEE Cc1csc(N=C2S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N2C)n1 1772736214 SGDWKNIMRUKPMB-HOEQWYPASA-N 426.479 4.854 30 10 IJEE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772748915 YQEUHWAEIBPCNK-UHFFFAOYSA-N 432.480 4.887 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(C)(C)C)cc1 1862420583 OBBOXBCYMGMACJ-OAQYLSRUSA-N 443.490 4.877 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862564249 VWWXGXANNMUYDB-XMMPIXPASA-N 442.515 4.836 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862597306 YPAMOLGCSXUXAR-XMMPIXPASA-N 438.483 4.960 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC)cc1 1862618949 KHORLIZMKWNEPR-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2C)cc1 1862687768 PFJHJHIOYAOYLM-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862691291 JVEKPHCLBUNEFR-OAQYLSRUSA-N 437.492 4.552 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862691692 SPGRIWKGHGOWRI-HSZRJFAPSA-N 437.536 4.560 30 10 IJEE COc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 1862776566 VIHSJJIREAXOIU-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccc3ccccc23)C(=O)N(c2ccccc2C#N)C1=O 1862853421 XTCNOAYMXCPJAZ-UHFFFAOYSA-N 440.462 4.980 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)c1 1863026122 XPYGHITTZLDPPP-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2ccc(F)c(F)c2)C1=O 1863133027 XTRHGVATWSRJOY-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1863210815 OWCMPRMYCCTCBN-VGSWGCGISA-N 429.520 4.728 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1-c1cc(Cl)ccc1C 1870154342 SFZLPFFTTBQTPH-UHFFFAOYSA-N 436.686 4.669 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)/C=C/c1cccc(F)c1 1870158285 YYECQTIFAIRJNL-NTEUORMPSA-N 425.423 4.722 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1ccc(Cl)cc1 1871155753 DZSFGMKEQDHBMH-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1O/C(=C\c1ccccn1)C2=O 1871373682 DKIUTRPOTWAKSD-GRSHGNNSSA-N 436.807 4.787 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871448729 XRXDFMUKFXOTSC-VOMLJKFNSA-N 444.443 4.925 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)cc1 1872099880 FJRXOEJDDKYBQR-HSZRJFAPSA-N 439.581 4.706 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(F)cc1 1872496956 OBWUVOLHTSAVOM-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1C 1872765001 DNQDSSJJGMLMCO-INIZCTEOSA-N 436.493 4.591 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3ccncc3)ncnc21 1873618434 PKIWHOREPIOVPH-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCCN(CC)CC)ncnc21 1873624570 GEQKIWLLAJQPBP-UHFFFAOYSA-N 440.979 4.585 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCc3ccccn3)ncnc21 1873633547 RYBXWORIKYGPDM-UHFFFAOYSA-N 436.878 4.669 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(F)c1)Nc1ccccc1 1874425309 BAYCHLXWJFQAGS-MFKUBSTISA-N 431.496 4.697 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874515791 PZYWGDGORWLENW-ODCIPOBUSA-N 429.373 4.882 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1F 1874517475 VSVRQLVAZPBLCD-FCUAXUHVSA-N 443.523 4.531 30 10 IJEE CCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccc(CC)cc2)cc1 1874530653 UHADCYMSGASIAU-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2COc2c(C)cccc2C)ccc1OC(C)C 1874565293 SBENTLGACGPUNP-ZMOGYAJESA-N 440.569 4.831 30 10 IJEE CCCCCCCCCC[S@@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882591188 HINLHWLLGCTAET-AFJIDDCJSA-N 425.591 4.646 30 10 IJEE CC(C)(C)OC(=O)N1CC(C#N)(Cc2cc(Br)ccc2Br)C1 1962480454 GNWPZUKTWNSGQT-UHFFFAOYSA-N 430.140 4.515 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 1988813773 FALHFSICQPFFKJ-MPWIWIEXSA-N 425.545 4.652 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)c1 2033306440 KGATVECCEAPSOT-AHRSYUTCSA-N 445.560 4.974 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 2041554279 WHAGJBHOHKAZHV-UVWWXKGLSA-N 446.632 4.526 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NC 2047975623 FVCFSAQPCKNBOM-SJORKVTESA-N 429.786 4.540 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(C)C)c(C=NO)c2I)c(F)c1F 2079883356 AUCZOPMVQHCIHW-JTQLQIEISA-N 433.240 4.615 30 10 IJEE Cc1ccc(C#CCCO)c(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1 2095883038 HYVQPZDUGDVCSQ-UHFFFAOYSA-N 440.587 4.503 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2110503404 JVBOXSUWFURNCU-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cc(Br)c(Cl)s3)cc2)OC1(C)C 2115887338 XIKWIVULPYEMOD-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE CC1(C)CN(C(=O)OC(C)(C)C)CCN(c2cc(Br)c(C#N)cc2F)C1 2118199417 RVLPOQXUQFOFRB-UHFFFAOYSA-N 426.330 4.543 30 10 IJEE NN[C@H](CC#CC1CCCCC1)c1cc(I)ccc1Br 2149855803 QLRROZZOPRNFOE-MRXNPFEDSA-N 447.158 4.532 30 10 IJEE CC[C@@]1(C(=O)Nc2ccc(C#N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2181140575 BYAYTPUVPVRIAP-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2235745705 DZINGPJKRXLULR-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE C#CC[C@@H](C)C[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237419865 JYKWJJMOIKUOPG-LSTHTHJFSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2ncc(Br)cc2C#N)C[C@H]2CCCC[C@@H]21 2240974078 WITPRSJGMFRZEY-COXVUDFISA-N 435.366 4.696 30 10 IJEE C=CC[C@]1(COc2cc(Br)c(F)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272232755 VFJXVJQHMPSFTB-IBGZPJMESA-N 429.330 4.753 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2296215980 GJEIOVKVRDDZHN-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](O)(C#Cc3ccc(Br)cc3)C[C@H]21 2296282364 VYGPQRGFGFHGGK-SFGWALBWSA-N 434.374 4.731 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)cc1 2296931564 VYDNCOOIQQCEHC-QHCPKHFHSA-N 446.478 4.631 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2314438222 LSQJLRYSEBCDSS-UHFFFAOYSA-N 431.400 4.577 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc(OCCC(C)C)c1 2314478523 TWDNJSWZTDSQSJ-VWLOTQADSA-N 449.547 4.736 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Cl)cc(Br)c1F 2315458876 RMSVVPGXEUMLJX-HOCLYGCPSA-N 433.749 4.809 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)c1 2321962444 BNEJLGNNXODDKY-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(Cc1nc3ccccc3[nH]1)CO2 2322192791 YDHLIHDIMPHVSF-UHFFFAOYSA-N 429.501 4.901 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2323075997 JXNAAMRMJOQYME-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OCC(=O)N(CC)CC)c2)c1 2323261794 OQVJXODMNQXTHK-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1cc(C=Nn2c(S)nnc2Cc2cccs2)ccc1OCc1ccccc1 2323554749 BESNEXUMLIIUKG-UHFFFAOYSA-N 436.562 4.689 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2Cc2cccs2)cc(Cl)c1OC(C)C 2323556783 RITSQPRLCWXYGU-UHFFFAOYSA-N 436.990 4.941 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1C(C)C 2324261782 UMODFJZTQGRQMA-UHFFFAOYSA-N 431.916 4.549 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)cc1Cl 2324611727 ROCSYEAZLRLSTF-UHFFFAOYSA-N 447.871 4.731 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C=Cc1ccc(Cl)cc1 2325005394 VRKBQYKRFLLCNW-UHFFFAOYSA-N 437.952 4.743 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)c1 2325103526 NJLZUVTYNWANFL-UHFFFAOYSA-N 440.492 4.678 30 10 IJEE COc1cc(C(=O)C=Cc2cccc(OC(=O)c3cnc(C)cn3)c2)c(OC)cc1Cl 2325759021 WINKAGMVECDNJN-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE COCC(=O)Oc1cc(C=CC(=O)c2c(C)cc(C)cc2C)c(Br)cc1OC 2325764544 AZEHKFRMUUDXIS-UHFFFAOYSA-N 447.325 4.831 30 10 IJEE CCn1c(C)c(C=Nn2cnnc2SCc2cccc(C(=O)OC)c2)c2ccccc21 2326750017 RZMXIKUGRGIAQP-UHFFFAOYSA-N 433.537 4.522 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2328634833 SWVNYPWESGQUFG-UHFFFAOYSA-N 437.525 4.531 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccc(OC)cc1 2330131671 XPOLZHSYSHVNCF-RUZDIDTESA-N 436.596 4.913 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(Br)c(OC(=O)C3CC3)c(OC)c2)c1 2330794392 KEXUNPMBUNAZJM-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCCCC)c(OC)c1 2330952356 XTNGZAIWESYPFS-LJQANCHMSA-N 430.574 4.868 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C(F)(F)F)c1 2331123175 NHWVRBLEDPNLJV-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2331385271 OPRNDEYOFKRZRI-UHFFFAOYSA-N 440.485 4.567 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2331396948 QMYDUVQWMSCHSY-UHFFFAOYSA-N 439.541 4.981 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c4c(cccc24)CC3)ccc1OCC(=O)N(C)C 24991154 ILWHUQFXIJWZFL-RIYZIHGNSA-N 429.516 4.700 30 10 IJEE Cc1ccc(C(=O)On2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)cc1C 27527689 SQXZXERKDWMCMD-UHFFFAOYSA-N 449.304 4.712 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(C)cc3)c(OC)c2)SC1=S 33683257 KHMJEVXRWJYGIB-QNGOZBTKSA-N 441.574 4.849 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCOC)c1 35488029 SXRNOPJWZYCCRE-HSZRJFAPSA-N 433.504 4.556 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)c(OC)c1 41292471 NYHCAEFNHSYLCV-JJFYIABZSA-N 434.419 4.987 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)cc1)c1ccccc1Br 55333622 KRZBCVSALPOHMC-ZDUSSCGKSA-N 426.051 4.544 30 10 IJEE CC(C)/C=N/Nc1nc(SCC(=O)Nc2ccccc2SCc2ccccc2)n[nH]1 59311564 BDFALXWQLAQCST-WSDLNYQXSA-N 440.598 4.882 30 10 IJEE C=CCn1c(SCC(=O)Nc2nnc(S[C@H](C)CC)s2)nnc1-c1ccccc1 59775942 LPXXZVNKWYZUTE-CYBMUJFWSA-N 446.627 4.604 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 66198708 LELAUHKBPDLLJK-FQEVSTJZSA-N 440.609 4.990 30 10 IJEE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O 98004629 AVASKCHMCARMDV-JYRVWZFOSA-N 441.399 4.908 30 10 IJEE Cc1cc2c(c(SCC(=O)c3ccccc3)n1)C(=O)O/C2=C/c1c(C)[nH]c(C#N)c1C 102781655 DKPVJPAJLUIXJQ-UFFVCSGVSA-N 429.501 4.850 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)c(OC)c1 103090339 ONROONPVUBWOCT-FEYWKWKCSA-N 429.472 4.639 30 10 IJEE COc1cc(/C=C/C(=O)N2CCS/C2=N/c2ccccc2Cl)cc(OC)c1OC 105129827 RJBWMQAIEJWTDO-QZVFVJQCSA-N 432.929 4.642 30 10 IJEE CCO/C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 105904423 PYBBFRGFAHPUOK-BVEGUNOWSA-N 426.925 4.959 30 10 IJEE O=[N+]([O-])c1cc(Br)c(OCC2(CS)CCCC2)c(Br)c1 125221712 DIRMDBRIPHBQGK-UHFFFAOYSA-N 425.142 4.989 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2C2CCCCC2)cc(Br)c1OC 169910057 UHUFXKXBXWREAC-JAIQZWGSSA-N 439.379 4.667 30 10 IJEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 169940842 XLGULWQOPLPYEB-FMCGGJTJSA-N 443.525 4.689 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169957816 YSHJTTFMHTYAKJ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169962568 PLFWPXQTMKDSBH-JOCHJYFZSA-N 433.435 4.637 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1ccccn1 169991640 QPAZRHICOUJJRU-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2cccs2)c1 170139108 YGZAIFPGMKFODC-FQEVSTJZSA-N 434.473 4.743 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)cc1 170175928 HHCAUCLSXDGRKP-QHCPKHFHSA-N 439.471 4.525 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccnc2)cc1 170185826 NQOIILHUJRYGHI-HSZRJFAPSA-N 428.488 4.744 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccnc1 170196225 KNXTYCIITLNJJX-IBGZPJMESA-N 428.916 4.821 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2)c(OC)c1 170236979 MSAXPKPGEXBMEL-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c[nH]c2ccccc12 170253892 JFFFAAXERBONER-HSZRJFAPSA-N 426.472 4.546 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c[nH]c2ccccc12 170254688 NQNAANLTGGQJGS-DEOSSOPVSA-N 440.499 4.936 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(F)c4)[C@H]3c3ccco3)ccc2O1 170282122 NAWHXXXXXVYKFL-QKVFXAPYSA-N 437.398 4.664 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC)cc2)c1 170409620 NHYBJJHUYYDKAQ-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccncc2)cc1 170413965 JJEHHHVQBCZKDK-QFIPXVFZSA-N 447.560 4.768 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC)cc2)ccc1OC 170439912 QWVGLQLYPRTZFR-OAQYLSRUSA-N 439.508 4.618 30 10 IJEE CCCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)SC1=Nc1ccc(OCC)cc1 254704493 ASUXVJNCCUDUFT-KWKLDLJFSA-N 440.521 4.563 30 10 IJEE C=CCN(C[C@@H](Cc1cc(F)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 407529688 ZOPYMEUVBLTDII-GOSISDBHSA-N 429.374 4.922 30 10 IJEE CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1C#N 435556343 LXJNPXYQECACLJ-KRWDZBQOSA-N 449.486 4.946 30 10 IJEE N#CC1CCC(CNC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)CC1 441144816 KPPIAGVXSPDQPG-UHFFFAOYSA-N 427.574 4.582 30 10 IJEE C=CCCCNC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 448372674 DNJKYLUTQVREFM-UHFFFAOYSA-N 427.863 4.841 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)Nc3nc(-c4cccc(C#N)c4)cs3)o2)cc1 501177369 WLHUNKZJDNTEPB-UHFFFAOYSA-N 430.489 4.917 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 504748223 AFCBRBWJMQPPBP-UHFFFAOYSA-N 446.454 4.696 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508724938 VUUQHORWDMMQTD-UHFFFAOYSA-N 443.551 4.579 30 10 IJEE C=CCOc1cccc(CN[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c1 525695822 BRGGDEKNTLOFCF-XMMPIXPASA-N 443.515 4.812 30 10 IJEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(Br)cc2)ccc1OC 526819865 MRCNQUYXUWTMKC-JJFYIABZSA-N 447.358 4.622 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccccc1C(F)(F)F 526825801 FAZCUBAVJZWJPN-ROTLSHHCSA-N 448.470 4.820 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[S@](=O)C(CC)(CC)C1 549658540 XUCRPTSZMHMTMA-GEFUHLBYSA-N 444.645 4.739 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1C 586156020 IOJDMSFFFAOMIE-OXJNMPFZSA-N 432.973 4.990 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 586162156 USWXNBWJURVJFB-UHFFFAOYSA-N 438.524 4.714 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 619818773 HEJFPOSXZMUUSW-DEOSSOPVSA-N 444.539 4.867 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC(CCc3cc(OC)cc(OC)c3)CC2)cc1OC 644578196 AZMXZJKSQQMPEN-UHFFFAOYSA-N 439.552 4.762 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1CC 733200374 DMMMBTJDGZRWGT-HXUWFJFHSA-N 441.503 4.511 30 10 IJEE C#CCN(C(=O)/C=C\c1ccnc2ccccc12)[C@@H]1CCOc2ccc(Br)cc21 735440607 HCRRWOCYHYHGRN-AMZHIVGSSA-N 447.332 4.996 30 10 IJEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 755602483 MUXNQPWGNOFTKM-LUJNMSEFSA-N 431.420 4.660 30 10 IJEE CCc1cccc[n+]1/C(C(=S)N[C@H]1CCc2ccccc2C1)=C(/O)c1ccc(C#N)cc1 762440118 QGLYEYZAMDWRCQ-QHCPKHFHSA-O 440.592 4.766 30 10 IJEE Cc1cc[n+](/C(C(=S)Nc2ccc3c(c2)OCCCO3)=C(/O)c2ccc(C#N)cc2)cc1 762441700 YGFFQFFKITTZJN-UHFFFAOYSA-O 444.536 4.639 30 10 IJEE N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1ccc(F)cc1F 786560783 CPDWRMFOPXXNEV-HXIRNQQJSA-N 442.771 4.589 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 802562272 HVPSUGMNYHNOLZ-QGZVFWFLSA-N 443.592 4.861 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 811950034 SZXORLAJDNTYFE-FIXSFTCYSA-N 433.939 4.711 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 812177260 ARLGGVAEHAFYJW-SFHVURJKSA-N 437.519 4.617 30 10 IJEE C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916719608 FQPUKCRJXAEDBZ-FGGSVNHKSA-N 442.585 4.505 30 10 IJEE CCCC=NNc1nc(SCC(=O)Nc2ccc3nc(SCCC)sc3c2)n[nH]1 1083974976 OLPSVFUTEDHZBH-UHFFFAOYSA-N 449.631 4.845 30 10 IJEE CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3cccc(Cl)c3)S2)cc1 1084092171 WIMJAWUVYHLNHS-SFHVURJKSA-N 431.945 4.719 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1OC 1126342817 GLTBRDGLBNDIDU-UITAMQMPSA-N 448.269 4.687 30 10 IJEE Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1126461328 GMNWBVOAGXFDGZ-NWSQWKLXSA-N 435.955 4.668 30 10 IJEE CC[C@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccc(Br)cc1 1127248072 AEVQBTGPIUIKOU-MHJFOBGBSA-N 442.357 4.716 30 10 IJEE C[C@@H](OC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccc(C(F)(F)F)nc1 1128730164 DIKMIHKJOVPQCC-SECBINFHSA-N 448.298 4.757 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)c1 1132161541 GAGFRZATRHXUNU-OAQYLSRUSA-N 449.913 4.938 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 1135489248 CMNAMHSYNIPBLH-UHFFFAOYSA-N 440.952 4.651 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 1135901586 OPKYQGDKSXRDHD-TZMCWYRMSA-N 442.894 4.645 30 10 IJEE C=CCn1c(Sc2cc(Br)ccc2C#N)nnc1-c1ccccc1OC 1162049594 OQFGDWOROOPMBO-UHFFFAOYSA-N 427.327 4.925 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)OCC 1164446904 AWEJVIPXRJMNFZ-UHFFFAOYSA-N 444.553 4.677 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(OC)[C@@H](C)c2ccccc2OC)s1 1165806845 BWNGFDZLXKVFAW-AWEZNQCLSA-N 426.991 4.998 30 10 IJEE CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC(c3ccc(C#N)cn3)CC2)cs1 1174871750 HQGLJIFOPNEKHA-UHFFFAOYSA-N 435.528 4.613 30 10 IJEE CC(C)N(Cc1ccc(Br)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1190509853 HKHJLRWKMPZKDR-OAQYLSRUSA-N 426.358 4.727 30 10 IJEE C[C@@H]1CCCN(Cc2ccc(Br)cc2C#N)[C@@H]1CCNC(=O)OC(C)(C)C 1195776872 FZHMWLSPVWHERL-DNVCBOLYSA-N 436.394 4.836 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 1201313596 AEWUQNANFJTUIT-UHFFFAOYSA-N 435.268 4.936 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)c1ccc(Br)cc1 1275465013 RFXMSOHUQAHQRN-AUUYWEPGSA-N 425.330 4.578 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCC1(F)F 1286400247 ABOSDNPCFJXSFG-IBGZPJMESA-N 433.506 4.700 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CC)CCC1 1286440509 BDPZSCMZZQSRRF-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(CC)C1 1286554633 VBKYWYYKSKEXKK-UQASEVPWSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)C)CC1 1286564802 YVQKKTWRVSIAPH-SIKLNZKXSA-N 444.023 4.500 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC=C(Br)C1 1286605130 SHPCGNKFNHJOII-UHFFFAOYSA-N 437.769 4.680 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1286728554 CIMOQYGPKIEDGT-NRFANRHFSA-N 427.662 4.869 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCCCC1 1286742745 OTMFUOPONXYMEW-AREMUKBSSA-N 449.599 4.575 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1286750773 GXLGLVLJWFMUHK-YTFSRNRJSA-N 443.680 4.743 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1286833520 GLBNFBOLOIFUMA-INIZCTEOSA-N 429.540 4.659 30 10 IJEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1287220294 HTZBKMPSXRWCPX-MOPGFXCFSA-N 446.521 4.893 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(-c3ccccc3)sc2C(=O)OC)c(OC)c1 1288991722 ZUUYAFDXKYZQFK-UHFFFAOYSA-N 437.517 4.956 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 1292934329 VXGVYNWIXCGNIH-CZUORRHYSA-N 434.886 4.789 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1300476153 YHFWKJZDRVJVKK-GOEBONIOSA-N 426.870 4.874 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1c(C)coc1C 1300612144 VNTVJXWLFHUDHS-UHFFFAOYSA-N 427.346 4.734 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC1(COC)CCCCC1 1300637634 IQKDKEXYGCUVHY-UHFFFAOYSA-N 430.980 4.567 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H](SC)C(C)(C)C 1300641552 CKXHNEZGVSGFBX-NRFANRHFSA-N 437.588 4.897 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cnc(C)s1 1300816724 TXZVROAUFDGHEF-RUZDIDTESA-N 449.624 4.960 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CC)C[C@H]1CCCO1 1301056685 GRBHFXYKAVUQHK-HXUWFJFHSA-N 432.996 4.912 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N(C)C2CCCCC2)CC1 1301071036 VKEZHRLQVUTHCA-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)c2ncc(C)s2)CC1 1301096736 CKFIFDUDNGUESC-QXAKKESOSA-N 429.634 4.922 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C)[C@H]1C 1301152434 YYPIPKFXIVOVTN-HLIPFELVSA-N 428.602 4.723 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCC1)C1CC1 1301314399 VNRJTSITBPBEPL-LJQANCHMSA-N 444.023 4.939 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@@H](O)C1 1301341963 QLEKNNOACQEICR-BJKOFHAPSA-N 433.600 4.626 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC1CCN(c2ccncc2)CC1 1301356824 DDKGKDJAQPSPAQ-UHFFFAOYSA-N 436.629 4.967 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1CC1(O)CCCC1 1301365536 SISMSUQVYHPKMG-UHFFFAOYSA-N 442.560 4.555 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C 1301366295 AQPYQGJVSJHFEL-QNWVGRARSA-N 439.673 4.974 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1C[C@H]1N(C)CCCC1(C)C 1301412605 FQKAKVQBMIVDCS-HSZRJFAPSA-N 439.648 4.959 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCC2(C)C)C1 1301547396 ZGJROJYTPZOXLA-UYAOXDASSA-N 440.588 4.570 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1OC 1308322613 RBRSYLKPXDUQFM-YLJYHZDGSA-N 445.401 4.775 30 10 IJEE C#CCC1(NC(=O)N[C@@H](C)CCc2ccc(I)cc2)CCCCC1 1312628557 HWGGAEKGSMDVHV-INIZCTEOSA-N 438.353 4.638 30 10 IJEE C#CCC1(NC(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)CCCCC1 1312806224 JVUWVJRJROASRE-UHFFFAOYSA-N 425.573 4.900 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)C1 1323754876 GADOLLQWPURSEP-AWEZNQCLSA-N 429.439 4.861 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1352203461 OWTRKQCZPXDOTD-OAHLLOKOSA-N 442.478 4.647 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1 1353503684 GNSRHKIIQDANEX-UHFFFAOYSA-N 433.411 4.522 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(OC)ccc1OC(F)F 1356238290 QDVPLPDFDQNQIK-UHFFFAOYSA-N 431.357 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1358897722 FIJKQYKKMFXULY-NHZRIVAWSA-N 438.616 4.960 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1csc(CC)n1 1358916014 WVUVYRXDOFVEKA-UHFFFAOYSA-N 432.597 4.740 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1358921776 IUVINLJKBKYADK-AEFFLSMTSA-N 438.373 4.832 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCC1CCOCC1 1358986362 VLXQCVUYOXPGBP-HSZRJFAPSA-N 448.611 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCCC(F)(F)F 1359074660 MKVXXJYHBYZJPQ-HXUWFJFHSA-N 438.519 4.914 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1359109675 KKZUEFBHLBIXAI-UHFFFAOYSA-N 426.446 4.681 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1359130047 WRCIHRMQXSJUOM-UHFFFAOYSA-N 448.411 4.859 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(SC)cc2)CC1 1359181084 DRCYBLKSSHPSTH-UHFFFAOYSA-N 436.629 4.507 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1359198772 ZXFMFYMMIXYBDO-UHFFFAOYSA-N 433.556 4.547 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCC1CCN(CC(F)(F)F)CC1 1359234000 ZAJIFRCVPPGJGZ-UHFFFAOYSA-N 441.929 4.885 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCN(C(C)C)C1 1359234504 QZZMPUFYTLODJI-GOSISDBHSA-N 446.437 4.759 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1oc(CC)nc1C)C1CC1 1359248638 WNNYLJALHQAMPX-UHFFFAOYSA-N 427.936 4.669 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCO[C@H]1CCCC[C@H]1C 1359257634 QDIXLJBUWZJNOH-FGCOXFRFSA-N 449.599 4.789 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1c(F)cccc1F 1359263376 ABRDGZCJCNSFIE-KRWDZBQOSA-N 444.551 4.947 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2cc(C)cs2)cc1 1359308376 MRAJZWTZBGVREN-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1nccs1 1359466522 CNSBONIRJPOAMV-UONOGXRCSA-N 445.390 4.564 30 10 IJEE CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1359962518 BTKPZTNNHHWCOZ-UHFFFAOYSA-N 443.341 4.548 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1360374235 SBPCREASOYQWEH-OAQYLSRUSA-N 426.557 4.845 30 10 IJEE N#Cc1cc(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)ccc1OC(F)(F)F 1436042154 HOLYHJWHSHIQJN-UHFFFAOYSA-N 440.303 4.914 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)Cc4c(C(F)(F)F)ccc(C)c43)cc2C1=O 1440055344 ACQBDZCCWUOQJB-ZDUSSCGKSA-N 442.437 4.635 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H]2CC)ccc1Cl 1448089920 TYVWJPKDHVOGNT-UTKZUKDTSA-N 447.000 4.982 30 10 IJEE C#CC[C@]1(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)CCCN1C(=O)OC(C)(C)C 1449025880 CUYGATZUAZNCLA-XMMPIXPASA-N 430.593 4.784 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H](NCc3ccccc3)C(F)(F)F)c2)cc1 1457812082 FMBCVEJONBZBAJ-JOCHJYFZSA-N 439.437 4.801 30 10 IJEE Cc1oc(Br)cc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1459989096 CYYAOLBRJJWKRZ-UHFFFAOYSA-N 427.302 4.958 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(c2ccc(C#N)cc2)C2CCC2)nnc1-c1ccco1 1461770569 TZBLBTOITWCSCV-UHFFFAOYSA-N 433.537 4.664 30 10 IJEE COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C 1463496884 HSRJWJJQEDHIID-KRWDZBQOSA-N 449.532 4.752 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1464648603 HRXLCBRGUQDWMK-RUZDIDTESA-N 428.532 4.511 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F)c1ccc(Cl)cc1 1465509254 KGEODYIOKJRQQX-HNNXBMFYSA-N 440.805 4.564 30 10 IJEE CC(=O)c1ccc2c(c1)CN(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C2 1466519601 AAJKDIOOEDBXPX-UHFFFAOYSA-N 427.508 4.792 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1469857834 YRISOKDUISUEEF-BEVDRBHNSA-N 437.531 4.917 30 10 IJEE C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H](OC1CCOCC1)c1ccccc1 1470557202 DQRSQLNJDCARMZ-PISWEHOVSA-N 433.552 4.560 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-n3ccnn3)cc2)cc1OCC 1474054891 GIUNJODRMMAQEW-UHFFFAOYSA-N 429.318 4.605 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 1476966382 RHOUTYMTKQRAKK-UHFFFAOYSA-N 438.426 4.580 30 10 IJEE C=CCC1(O)CCN(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)CC1 1478068331 RTKIEVQTBDGAFP-UHFFFAOYSA-N 435.406 4.764 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)CCS1 1494235355 FZVZTGHXBHISHJ-AEFFLSMTSA-N 431.556 4.974 30 10 IJEE CCc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)s1 1498007815 BJSBDDBECDDQCB-LJQANCHMSA-N 448.640 4.658 30 10 IJEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1498769248 FWUJKGJBYDVKPS-WOJBJXKFSA-N 434.632 4.638 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C(CC)CC)N(C)C 1507663477 ZYLNKJKZSLHIFJ-JOCHJYFZSA-N 431.584 4.521 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1ccco1)N(CC)CC 1507682400 NBRCFHIAHPZMRT-FQEVSTJZSA-N 431.540 4.827 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507881661 POZONCOFKKCVTO-CRAIPNDOSA-N 442.457 4.681 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1507889792 ZAKUOSSQHWJRDY-FQEVSTJZSA-N 432.012 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C)C1 1507920029 UFQLRCYSMOSYEO-OAHLLOKOSA-N 439.387 4.991 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 1507920946 PDZNGRHNMARIAX-IRLDBZIGSA-N 435.616 4.746 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1507967740 NDLKVETXKARQCA-OIBXWCBGSA-N 440.588 4.709 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC1C[C@@H](C)O[C@H](C)C1 1508023118 ANZRYSIUEVVQNQ-NHCUHLMSSA-N 431.584 4.779 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1 1508036301 AAROBVUDBDOXEW-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1508046512 BFHVSKGNIHNJDY-ZIAGYGMSSA-N 425.396 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2sccc2C)C1 1508117791 SEFIJCCUXPRBAB-KRWDZBQOSA-N 444.988 4.807 30 10 IJEE C=CCC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1514716159 ASFREHUHJSVHCM-TZIWHRDSSA-N 441.369 4.729 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1 1518225446 OLPMOEUFJWUZAS-NFBKMPQASA-N 436.552 4.916 30 10 IJEE C#CC[C@@]1(C(=O)Nc2sc(-c3ccccc3)nc2C)CCCN1C(=O)OC(C)(C)C 1519857972 AOWYNWDRWVNCPU-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OC(F)F)c(OC)c1 1524977434 MKQGLGAEPJFRMP-UHFFFAOYSA-N 428.229 4.876 30 10 IJEE C=CCC1(CNC(=O)c2ccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)cc2)CCCC1 1525699580 YOVMCYLWHCSHAX-UHFFFAOYSA-N 449.473 4.934 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)c2sc3cc(C(C)C)ccc3c2Cl)n1 1531364028 PJPGCIRPZIKLJB-UHFFFAOYSA-N 429.973 4.797 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)cc1C#N 1533753132 ASVUUVWFIRLOJQ-OAHLLOKOSA-N 442.313 4.563 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br 1538084777 BZVXFEHQBAWARD-UHFFFAOYSA-N 433.302 4.617 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(C)cc(I)c1)c1ccc(F)c(F)c1 1538997859 WSSFUCCQLNMDFN-QGZVFWFLSA-N 427.232 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@H]1CC 1539013549 NGZZRSKGTOBMDF-ZVDOUQERSA-N 443.636 4.677 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)c1ccccn1 1539299949 QHCFDWZOQMMYMI-UHFFFAOYSA-N 437.591 4.584 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C)[C@H]1CC 1539607262 AYISXQUZXYABKJ-MAUKXSAKSA-N 433.394 4.953 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCc2cccnc21 1539678541 TUDZRTJUYOJYBX-JOCHJYFZSA-N 442.567 4.646 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1540081524 ZALOUGIFUNHVNC-UHFFFAOYSA-N 435.597 4.730 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)N(C)C1CCCCC1)C1CC1 1540094274 FCHMODDSHDXZIF-HSZRJFAPSA-N 435.616 4.766 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cnn(CC)c1)C1CC1 1540115663 IGLWNILPMIPUMT-UHFFFAOYSA-N 447.370 4.583 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1OCC[C@H]1C 1540174289 LMRGHNPIMZHVFP-DNVCBOLYSA-N 437.371 4.767 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H]1CCCCO1 1540191993 UBPMBRIDEBLAOW-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1540858586 JQSZQUIUQCZOPD-INIZCTEOSA-N 430.524 4.580 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2csc(C)c2)C1 1540884182 LRKZCDMDJIIKCL-HKUYNNGSSA-N 442.560 4.757 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2cccc(C)c2)C1 1540887136 QMRYDIDLTIKYAD-RXVVDRJESA-N 437.975 4.887 30 10 IJEE CCc1ccc([C@H](C)C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc1 1543137195 HXEVRKBXMUVRFB-JTSKRJEESA-N 440.385 4.524 30 10 IJEE CCOc1cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)ccc1OCC(=O)OC 1544832472 GVLVPCRXTZWOJE-KGLIPLIRSA-N 442.537 4.508 30 10 IJEE CN(CC1CCCCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCOCC1 1554223813 HIGDCZAPDMGSJT-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)F)c2cccnc12 1556237050 CFPIZNRTHCVSHC-AWEZNQCLSA-N 441.862 4.811 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)C1 1557634696 OIXTWQBCGWJWMV-OAHLLOKOSA-N 436.936 4.627 30 10 IJEE C=C[C@H](Sc1nnc(COc2ccccc2F)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)OC 1559307315 BSLAHRIVKGQRRW-LLYLOPHFSA-N 445.560 4.813 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(CCC)cc1)c1cccs1 1563618307 GUXKHMVCTGAHMX-JOCHJYFZSA-N 426.582 4.777 30 10 IJEE C#C[C@@H](NC(=O)NCCc1cc(Cl)ccc1OCC)c1ccc(Br)cc1 1564380834 KOIXUFHRWSMDCC-GOSISDBHSA-N 435.749 4.717 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 1566412414 QKDFMKHKXHTZIA-LEWJYISDSA-N 444.934 4.991 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1 1570305189 HGGLKQGFMVHKOB-UHFFFAOYSA-N 439.924 4.882 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 1583539301 QYPFTSXVVMZUMA-OHSXHVKISA-N 440.518 4.796 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1584537988 DUEVOUKKQQJEMK-KAOXLYBCSA-N 437.584 4.690 30 10 IJEE C#C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1 1584682118 RTINPPYXNKVGCN-DEOSSOPVSA-N 427.454 4.851 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)cc1OC 1586171163 JHOMWXNVQXNHLX-WQLSENKSSA-N 425.481 4.573 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCCc1nc(C)cs1 1587662322 MTKZOLSAQKGTLH-LJQANCHMSA-N 432.597 4.527 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1587813156 HGAIARKNDIWJCB-TZIWHRDSSA-N 431.584 4.857 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCC1(COC)CCCC1 1588288955 RZDGDBKCAIUENX-UHFFFAOYSA-N 430.980 4.664 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](c2ccco2)C1 1588984219 GQHCFSBLQSJXLK-QZTJIDSGSA-N 440.544 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(C)=C(Br)C1 1589559934 VNYYIAQNULGMMQ-GHTZIAJQSA-N 449.437 4.871 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2Cc3cccc(Br)c3C2)nnc1C(C)(C)C 1589579094 JOLDIVOZKHFSNS-APWZRJJASA-N 445.405 4.840 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 1593629811 AAKPNFDXFPQJFL-RBUKOAKNSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(N(C)c2ccccc2)CC1 1594478885 ZXQWWELHZKRJMW-UHFFFAOYSA-N 432.616 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2ccco2)C1 1594504341 OVERUEDNZCKKHD-QFIPXVFZSA-N 436.556 4.651 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1594679663 HDKPALUGOLJMCB-IPMKNSEASA-N 430.980 4.901 30 10 IJEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCOC2(CCCCCC2)C1 1594825025 UMBQLFOQLKSKBG-UHFFFAOYSA-N 438.616 4.586 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1595037446 FALIUGJTJCRJOI-QUCCMNQESA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCCC1 1595127030 CKUXRCZPALBMEU-UHFFFAOYSA-N 448.590 4.855 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1 1595133763 MHOVOJQXYAUFNH-NVQXNPDNSA-N 449.574 4.943 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(F)CCC2)C1 1595745449 RUXTXOKCWBNCSP-IBGZPJMESA-N 434.943 4.574 30 10 IJEE N#Cc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(F)cc1F 1597366208 AQDDBROTNXBBSD-FQEVSTJZSA-N 439.849 4.990 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1CCOCC1 1611896785 GOPSCHPBNQCOBF-CRAIPNDOSA-N 445.995 4.711 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)c1nccs1)OC 1613129985 BAHIBZUWFGKGCM-ABSDTBQOSA-N 438.601 4.574 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 1617791936 NRGHXTFEPLKXIE-HHHXNRCGSA-N 437.543 4.508 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCCS1 1619456308 ATNMTXJRUXLJRU-DLBZAZTESA-N 431.631 4.603 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 1622127008 UIWUCYVTRAUJRT-FCHUYYIVSA-N 447.000 4.651 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3cccc(C)c3)cc2)cc1 1622886409 FGMODXIPGHPYFP-UHFFFAOYSA-N 449.576 4.790 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3)n[nH]2)c1C 1627312549 BLGLPNSWODTPBH-UHFFFAOYSA-N 436.516 4.675 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 1629330320 JMMGEHFAAMLMQN-HXUWFJFHSA-N 438.572 4.931 30 10 IJEE C#CCN(C(=O)NCC(C)(C)c1ccccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1631031620 XQNPDKVUOXDSJD-UHFFFAOYSA-N 448.007 4.662 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)cc1 1631136311 BSUPXMYDGVINMW-DEOSSOPVSA-N 435.543 4.633 30 10 IJEE C=CC1(CC(=O)Nc2scc(C3CC3)c2C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1631363838 DFSRWZVJQYHAIA-UHFFFAOYSA-N 434.558 4.554 30 10 IJEE C=CC[C@H](NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)c1ccncc1 1631877663 IMGBCJOPJYCKDT-IBGZPJMESA-N 442.357 4.739 30 10 IJEE C#C[C@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1639229272 BYNNIJNBZGQGIA-BVZFJXPGSA-N 430.548 4.612 30 10 IJEE C#CCN(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1645454173 ADVISUJIGVMFNR-UHFFFAOYSA-N 433.552 4.587 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 1646383528 KVSQKZUTPJOIAM-CQSZACIVSA-N 439.364 4.832 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1648409353 GRKWJHRGLJSGSH-OAHLLOKOSA-N 439.364 4.893 30 10 IJEE C=CCn1c(SCc2ccc(OC(C)=O)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540571 URZKZVHXFMYHHI-CQSZACIVSA-N 440.590 4.986 30 10 IJEE C=CCn1c(SC[C@@H](C)NC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652349281 TVRQAXDLCGTBRS-UONOGXRCSA-N 449.642 4.774 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](c3ccccc3)C[C@@H]2C)n(Cc2ccc(F)cc2)c1C 1652501024 CRPVKBQFULBKKC-MBSDFSHPSA-N 444.554 4.981 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)C[C@@H](O)c2ccc(F)cc2)cc1OC 1657699514 LRBSNVHHCDZWNI-IFXJQAMLSA-N 438.337 4.763 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 1660232226 VUBSPAJLDXECQO-UHFFFAOYSA-N 429.307 4.821 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1cnc2c(Br)csc2c1 1660945083 QXTSMDNYIZBODV-UHFFFAOYSA-N 441.347 4.575 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)c1ccccc1 1665221718 PBMGQPSDQOOJOA-GOSISDBHSA-N 436.371 4.760 30 10 IJEE C#CCN(C(=O)Nc1ccccc1OCC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1667491208 IHDZXFXCLSCWOH-UHFFFAOYSA-N 429.561 4.588 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2)cc1 1668462838 HZWVVOVJMSHEIS-DYESRHJHSA-N 436.512 4.668 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1cc(Br)ccc1OC(F)F 1669545121 JBEGRTYRHKJLPF-UHFFFAOYSA-N 443.219 4.523 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 1671014593 IUNKHCKKVLXGMD-IERDGZPVSA-N 447.373 4.932 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2cc(Br)ccc2OC(F)(F)F)cc1F 1672515789 BNNULPOGQQFUDP-UHFFFAOYSA-N 432.171 4.680 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 1673577516 DYDMGFCQFFSKLV-NRFANRHFSA-N 447.604 4.865 30 10 IJEE C[C@H](CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N(C)C(=O)OC(C)(C)C 1678621056 HKBHQECALOLJAW-MRXNPFEDSA-N 442.585 4.731 30 10 IJEE C#CC[C@@H](NC(=O)N[C@H](COCCC)Cc1cccc(Br)c1)c1ccccc1 1680742896 CGVBFUZDBFJXHG-FCHUYYIVSA-N 443.385 4.851 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 1681786236 SBKXUFOPNAMBSZ-UHFFFAOYSA-N 440.401 4.942 30 10 IJEE C#C[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccc(F)cc1 1682348200 CACRHIHSJDUKML-NQIIRXRSSA-N 437.515 4.728 30 10 IJEE C#C[C@@H](NC(=O)N(C)CCOc1ccc(Br)cc1)c1ccc(Cl)cc1F 1682366212 ATYCMRIIORFZOF-GOSISDBHSA-N 439.712 4.636 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1)c1ccc(Cl)cc1F 1683517024 OLCPXRBJYUDRGM-ZCYQVOJMSA-N 439.962 4.851 30 10 IJEE C#C[C@@H](NC(=O)N1CC(Cc2cccc(Br)c2)C1)c1ccc(Cl)cc1F 1686922364 HKNPSYJHJVJBRX-LJQANCHMSA-N 435.724 4.800 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCc2cccc(Br)c2C1 1689934534 ZFDJHFHEEVWXMP-UHFFFAOYSA-N 441.398 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCSCC=C 1690195295 INCWNPOOPNLOSM-HXUWFJFHSA-N 449.393 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1690212637 PKJHIAZVJYCMBY-YIXXDRMTSA-N 449.643 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCCC1(C)C 1690256808 WTSVDUZKXBDCIN-MHECFPHRSA-N 430.568 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCN1CC 1690257384 HIXKTAYRNGHGCH-IBGZPJMESA-N 432.410 4.594 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCSC[C@@H]1C 1690304407 ALEQAINHPRJDCZ-IRXDYDNUSA-N 432.659 4.666 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCSCC(F)(F)F)CC1 1690417619 ZQWHWAHBAJXCHF-IAGOWNOFSA-N 446.583 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccco2)C1 1690424237 IGNBXUQLSKGLPY-GOSISDBHSA-N 427.936 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690435013 OCLXZZGOBWBDGK-IEBWSBKVSA-N 436.522 4.936 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCC[C@@H](SC)C1)c1ccccc1 1690444142 BOAZQOPCHUJBGA-LEWJYISDSA-N 434.613 4.817 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)nc1 1690565918 XRRCQXNMKMDPEB-UHFFFAOYSA-N 430.943 4.553 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCN1CC 1690577947 OLRONROUXVXDJK-TZIWHRDSSA-N 429.634 4.648 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(N(C)C)CCC1 1690586983 XLHMJMZSQMSXOH-UHFFFAOYSA-N 444.421 4.679 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CC)C1 1690683174 CVSXKPYOHNZMSQ-LJQANCHMSA-N 437.613 4.873 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(C)(F)F 1692826306 CHFNBPCWTCVEOP-ORAYPTAESA-N 427.858 4.559 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](c2ccco2)C1 1705525646 PWXORBPNNLYEPD-KRWDZBQOSA-N 425.330 4.708 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(OC(C)C)nc1 1705558444 WQRXWHJMXPSXFW-UHFFFAOYSA-N 441.988 4.524 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC(C)CC1 1705604053 DKWPBQDLTULBKZ-VQTJNVASSA-N 444.023 4.651 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1705660963 MZGQQFDPCKAPCB-NQIIRXRSSA-N 449.451 4.564 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705681490 WDQGOZDPKDGCAB-IPELMVKDSA-N 433.394 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCCC[C@@H](COC)C1 1705701377 BHGDTIINHVBJAH-KNKQGSTJSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)C1CCCCC1 1705710573 YMHZUTBNSHMCOQ-JPYJTQIMSA-N 428.552 4.746 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCSC)CC1 1705772830 VREBZJVIXXSZGO-UHFFFAOYSA-N 437.407 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705794051 TVMCUHBZMUCBCI-GOSISDBHSA-N 443.642 4.876 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1ccccc1F 1705795192 DWBYTOUZBRUZKA-LQWHRVPQSA-N 430.568 4.941 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)CC)CC1)c1ccccc1 1705797737 BITMBXHQVINDGY-ISKFKSNPSA-N 437.632 4.800 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)F)C1 1705825812 DRXUUPIBWRGWND-AWEZNQCLSA-N 428.886 4.812 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1csc(C(C)C)n1 1705833363 DCABABMSJXIKKT-UHFFFAOYSA-N 438.601 4.592 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C)c1 1705863667 AWFMBJATROWVTE-UHFFFAOYSA-N 444.564 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCN(C)C(=O)OC(C)(C)C 1705866635 VREZVAJKTZLYHB-UHFFFAOYSA-N 431.606 4.667 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)C[C@H]1CCCO1 1722311130 SYKILRSRRQDLPQ-AZUAARDMSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722313834 YIOBTEZWNZSAGO-QFIPXVFZSA-N 434.632 4.625 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1722326468 HWIYVXJNFLTGCP-IBGZPJMESA-N 442.922 4.930 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N1CCC(C)CC1 1722343778 JLQLBZYSFHQGDF-JOCHJYFZSA-N 444.627 4.542 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N(CC)CC)nc1 1722344991 DSZPJMWHGUACCN-UHFFFAOYSA-N 430.600 4.602 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@H](C)CC 1722503426 KZMLFKMIYWKRSG-JLGINSKQSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1ccccc1C 1722505514 NYSKDAPZKFDIQQ-UHFFFAOYSA-N 444.377 4.826 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)[C@H]1C 1722529474 UBQBPWIVHIIGBX-QHAWAJNXSA-N 444.645 4.958 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2cn(CCCC)nc2C)CC1 1722579883 LWVXANNHMOPMQK-UHFFFAOYSA-N 432.616 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722588412 SDDAJYPOABEZFK-QGZVFWFLSA-N 444.448 4.517 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1722606163 GMKYXLZMCCBWKQ-APWZRJJASA-N 431.378 4.965 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC(C)(C)COCC)C1CC1 1722645380 KQTULKSAXMIZFA-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(C)(C)CC1)C(C)C 1722665163 KWHUSOXPUDFZGB-HSZRJFAPSA-N 436.648 4.974 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1ccsc1 1722678929 IAPACNBNNVCMPA-UHFFFAOYSA-N 439.404 4.518 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1740567098 NUUQIVBXBIYJHW-PZJWPPBQSA-N 440.563 4.614 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)Sc1ccccc1 1740663041 WFDGRRBNBAGJMA-HNNXBMFYSA-N 444.402 4.676 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(OC)C1 1740712367 GCKQDCHGXZDDGP-FQEVSTJZSA-N 439.412 4.624 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1740716959 FPJLIRIKOGVCDB-UHFFFAOYSA-N 449.624 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740752350 VTEIYYWFMGGVIW-WMQCIHAUSA-N 430.980 4.614 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1740788356 TXGSATWXNOBSDM-LPHOPBHVSA-N 448.409 4.787 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)OC1CCCC1 1740790025 ATNUBWVCOZILIM-UHFFFAOYSA-N 435.366 4.611 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(C)CCCO2)CC1 1740833371 OLBIEJRPYDOCIB-KBMIEXCESA-N 440.588 4.788 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CO)CC1 1740844187 WXPXJAJLYUQSBW-FQEVSTJZSA-N 426.605 4.846 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC)Cc1ccc(F)cc1F 1740847714 RFGDXYAQDNELAI-LJQANCHMSA-N 431.531 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740852717 RZIMXNHBEJKIAH-SFHVURJKSA-N 438.494 4.535 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1740863708 DMQXQARPFKQUQC-FXAWDEMLSA-N 434.943 4.509 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 1740887321 GAACYXIANSJUFZ-LJQANCHMSA-N 437.588 4.985 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(OC2CCCC2)nc1 1740903723 ISGYQNCDCCKAMB-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2CCCC2)C1 1740974265 KOKPORKMWRAZPL-LJQANCHMSA-N 431.378 4.679 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(C)C)cs2)CCS1 1745000263 FPPAOHDEPPOYMD-SFHVURJKSA-N 438.626 4.777 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC2(CCCCC2)O1 1748775572 NTSBROOFVGGQJC-HNNXBMFYSA-N 449.418 4.720 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCSC2)C1 1749026359 AEQSMIIJCJKXHB-DEOSSOPVSA-N 440.682 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC1CCN(CCC(C)C)CC1 1749061455 VVURLYPQXOYJHN-AREMUKBSSA-N 437.607 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCOc1ccccc1F 1749131160 QISLKLMEOZMJJT-UGKGYDQZSA-N 428.552 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)c1cc(OC)cc(OC)c1 1749131986 WWUJRHIVRRYTHQ-JTSKRJEESA-N 428.577 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1749147408 HTPAAGFVRSTRAN-HXUWFJFHSA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(COC)CCCCC1 1749159660 WSZBCNNGEASQJC-JOCHJYFZSA-N 440.588 4.790 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C)c1ccccc1 1749247317 VHCBAUPFNYREJB-FYYLOGMGSA-N 437.632 4.711 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](c2ccccc2)C1 1749627351 LIDMPVVGAWJGKW-NRFANRHFSA-N 437.588 4.573 30 10 IJEE CSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H]2C(C)C)ccn1 1750269698 HCIWZGMENFBXGN-NRFANRHFSA-N 448.596 4.519 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC12CCC(CC1)C2 1760242599 JBKAQTUMIFBBOP-BHWOZTKKSA-N 442.991 4.738 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC 1760288387 ATNYBRIZGZQOPA-WZONZLPQSA-N 430.980 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1C[C@H](C(CC)CC)N(C)C 1760297538 YKLPJKMEAJYUIS-SHQCIBLASA-N 446.643 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1cc(Cl)ccc1OC(F)F 1760338160 DNQWQKJORFPOON-UHFFFAOYSA-N 447.917 4.969 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCN1C1CC1 1760338307 IGSBXUIOFNQQKF-LJQANCHMSA-N 429.559 4.566 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760347985 KVXMRXUKMYXTOA-CRAIPNDOSA-N 437.371 4.745 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760352846 ZHQXAQMLTGMOSL-GCJKJVERSA-N 439.604 4.755 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760378378 IMXPFAHQVQFHKC-JRGCBEDISA-N 445.007 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@H]2CCOC2)CC1 1760408305 IMXWCWQBMVILQG-IBGZPJMESA-N 429.996 4.849 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H](C)C(=O)NC 1760408652 DOKRNRYHYDWXOY-IRXDYDNUSA-N 443.661 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760413878 XRKCFJDNEHDBMT-FQEVSTJZSA-N 443.680 4.944 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc2c(c1)OCCO2 1760419327 OQQVKZUYADQROY-UHFFFAOYSA-N 433.556 4.651 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760444198 ZQSKZVWGLOIGQE-YLJYHZDGSA-N 439.362 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](CC(C)C)NC(=O)OCC 1760458752 SCIYKSQNPNWQPH-MRXNPFEDSA-N 437.947 4.521 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1760465559 LINXMQYBFXJILF-WMZHIEFXSA-N 439.604 4.775 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1771431426 DMTNMKHHWRSOME-PKOBYXMFSA-N 431.556 4.974 30 10 IJEE O=C1Nc2ccccc2/C1=C1/SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 1772733655 NXEDHJMDQACVDM-UDRSXHPJSA-N 438.940 4.994 30 10 IJEE Cc1ccccc1C[C@@H]1SC(=NN=Cc2ccccc2OCc2ccccc2)NC1=O 1772741921 MBMZAWYTVIUDEY-QHCPKHFHSA-N 429.545 4.738 30 10 IJEE CCCN1C(=O)/C(=C\c2cccc(O[C@H](CC)C(=O)O)c2)SC1=Nc1nc(C)cs1 1772761849 KWTQYVMXDGUTBN-QKZBUXIPSA-N 445.566 4.708 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1C 1860304567 RWEUMFKIPOEZNI-UHFFFAOYSA-N 435.399 4.664 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862398266 SFFCMJXPPCCXIE-FQEVSTJZSA-N 447.453 4.619 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1C 1862401034 RYGBRBITCKNZJL-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCC)c(OC)c1 1862438695 DGRVKEVEMJIREJ-FQEVSTJZSA-N 427.884 4.512 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 1862490467 WFOLUZVBEFRJQJ-XMMPIXPASA-N 443.499 4.666 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1862584372 XHAIPTWDWSBLDH-BMLIUANNSA-N 440.710 4.606 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862661790 CWUNWNUUSDCRRT-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862708237 PWBXWXARLUTMMH-HXOBKFHXSA-N 436.552 4.918 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)cc1 1862735770 AXZYFYHHRRKWDF-HSZRJFAPSA-N 442.471 4.724 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(Cl)c1 1862740419 CWECCVAVRKAIKQ-LJQANCHMSA-N 428.872 4.873 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 1862827525 SHCQCMDRBLDZIS-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(F)c(Cl)c2)C1=O 1862920464 ZNIXFUMPJPFEQZ-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2ccc(OC(C)(C)C)cc2)C1=O 1863675328 QVQOCCDPIGVYLH-UHFFFAOYSA-N 448.563 4.708 30 10 IJEE N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866717552 JQUXTZXTIIXAFR-UIOOFZCWSA-N 437.543 4.808 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCN(CC)CC2)nn1-c1ccc(Cl)cc1 1870045282 YFTOLCCGEPETGT-UHFFFAOYSA-N 447.027 4.752 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870140170 CMOSTDNQNKODEZ-UHFFFAOYSA-N 430.339 4.991 30 10 IJEE CCCCOc1cn(CCCOC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180867 BLMOETZVNWOMOG-UHFFFAOYSA-N 429.586 4.548 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(OC)cc2)cn1CC(C)C 1870593595 AMCBBVWEALMKBL-UHFFFAOYSA-N 440.584 4.535 30 10 IJEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871117097 DASOZCRWZVYBDQ-UHFFFAOYSA-N 433.980 4.647 30 10 IJEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 1871280566 BDXNQRDQQFFTRK-UHFFFAOYSA-N 427.791 4.686 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 1871355754 SNJJSMYSQBSWAN-JJFYIABZSA-N 441.462 4.979 30 10 IJEE O=C1/C(=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2Cl)CC1 1871394361 TXWDZEHMWILEBH-JLPGSUDCSA-N 446.934 4.984 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)c1OC 1871456130 NSYHNJSZLDGUNA-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(N(CC)CC)cc2C)[nH]1 1871709112 OQBXEJWSYDBXSL-UHFFFAOYSA-N 437.636 4.828 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1871779049 DCFOUCHYFSQVJG-QGZVFWFLSA-N 447.409 4.895 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 1871985187 YYWCCHNUDSJCTQ-QHCPKHFHSA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872203620 CVPIQHIVBNHDOX-JOCHJYFZSA-N 446.638 4.560 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773869 ZVAXXCKGCFYGAN-AWEZNQCLSA-N 441.852 4.633 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1873462149 QPYIEHRACMRGKF-AFUMVMLFSA-N 443.488 4.738 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N(CCO)CCCC)ncnc21 1873655126 OSJHZOBNCYCNHW-UHFFFAOYSA-N 449.599 4.766 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(NC(C)=O)c2)cc2c(N(CCC)CCCC)ncnc21 1873659453 RZDIIZBRUIRQEG-UHFFFAOYSA-N 448.571 4.845 30 10 IJEE CCCCCCCCCCNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 1873935672 VSCAUQXQCSIHBP-UHFFFAOYSA-N 448.405 4.930 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccco2)cc1 1874295969 CZWGAACIXNSTGQ-OEAKJJBVSA-N 433.493 4.853 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874303607 IQAVHIYPGUDWQB-YZSQISJMSA-N 429.549 4.837 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874530200 WPHIRGXBLNCIQY-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1OC 1875098924 NPIILHJCYQLRMC-GXDHUFHOSA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1F 1875153413 FVLWGCFEMOCVNI-VMPITWQZSA-N 426.465 4.949 30 10 IJEE CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1Br 1875193932 APJMSOVNIDHRAF-RMKNXTFCSA-N 449.297 4.686 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1890477776 LBWRJFBAEIDUCP-RUZDIDTESA-N 444.966 4.866 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 1891254417 IQNLKEKVBPJXMO-VWLOTQADSA-N 442.588 4.914 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)CC1 1991565042 QEKOSJMDJCLKRK-FQEVSTJZSA-N 429.508 4.562 30 10 IJEE CCOC(=O)Cc1csc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n1 2042449404 UIOZMFBMLUMOFD-AWEZNQCLSA-N 430.595 4.610 30 10 IJEE CCOc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2080094255 IXOGQLWORIGXNC-GOSISDBHSA-N 435.309 4.881 30 10 IJEE N#Cc1c(C2CC2)nn2c(Cl)cc(-c3cc(Br)cc(C(F)(F)F)n3)nc12 2081195167 JKHFGPULBVXSFW-UHFFFAOYSA-N 442.626 4.975 30 10 IJEE C=CC1(NC(=O)c2ccc(Br)cc2I)CCCCC1 2142281310 OPLVFVZQDMFINU-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE CC(C)(C)OC(=O)N1Cc2sc(=Nc3ccc(C#N)cc3Br)[nH]c2C1(C)C 2162322434 AAVKGMLGGNMNNJ-UHFFFAOYSA-N 449.374 4.929 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CN(c1cc(Br)c(C#N)cc1F)C2 2174811142 URVWTOQLHMXHMA-VBKZILBWSA-N 438.341 4.591 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)cc1 2180902388 AGUJXWCDLTWOBO-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)[C@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCN(C(=O)OC(C)(C)C)C1 2181133156 PBWNVMQSAQMXCL-FQEVSTJZSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1N(Cc2ccc(Br)cc2C#N)CCCC1(C)C 2184391227 MDBFXVVHSGPBJE-SFHVURJKSA-N 436.394 4.836 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C[C@@H]1CCCCN1Cc1ccccc1 2219977834 YGTOQUFKFDPXCR-NRFANRHFSA-N 440.462 4.534 30 10 IJEE Cc1cnc(Nc2cccc(N(C)C(=O)OC(C)(C)C)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2232314215 QUVDXUHYNDJZFD-UHFFFAOYSA-N 439.365 4.804 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)c1ccccc1 2235723446 UDHCWYJKTKAVDA-SFHVURJKSA-N 429.358 4.830 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C12CC(NC(=O)OC(C)(C)C)(C1)C2 2235724345 HZXFCAAXMLCGFX-XTWGIRIWSA-N 433.390 4.616 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 2241005732 LUSFANWMVACTPB-GOSISDBHSA-N 437.378 4.608 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2247780270 AALDPRWSQDAXKI-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C12CCC2 2261835594 NGBOYFSGGQLHQO-VWLOTQADSA-N 445.556 4.553 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(F)cc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267118217 XLGSREFCNSVBTB-WKILWMFISA-N 448.344 4.661 30 10 IJEE C=CCN(CC[C@H](O)c1c(F)c(F)c(Br)c(F)c1F)C(=O)OC(C)(C)C 2267786445 IHXSCEVMCNCKAH-VIFPVBQESA-N 442.247 4.852 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1csc(CNC(=O)OC(C)(C)C)c1 2278799592 JLAMIXYWQQFIJX-GOSISDBHSA-N 435.387 4.848 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)Nc1cccc(OCc2ccccc2)c1 2285195642 FKVQMAVBYAFKBB-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1 2294143437 AVGIRNATYURMHJ-UHFFFAOYSA-N 443.484 4.802 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC[C@H]1CCN1C(=O)OC(C)(C)C 2296271166 CTEQXGPZCJTXRR-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@@H](N)C#Cc1cccc(Br)c1)C2 2296284406 QKTQHIXAJISEJW-WHYIANOMSA-N 433.390 4.602 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 2296766048 OXAJWMHQGZRGPP-HSZRJFAPSA-N 438.955 4.660 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)c1 2296865832 JVSPSYGQQDAGQP-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)Nc1ccc(C)cc1C 2297651133 ZVBOOUIAYJPGKU-IEBWSBKVSA-N 431.458 4.531 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)c2c(OC)cccc2OC)c(OC)c1 2314429346 FDPBRZUDBADDRE-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c1 2314429530 JEGFSXPDQOMZKA-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CN[C@@H](C#CCSC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2314695589 WHSBOMGVBREIIZ-RPLLCQBOSA-N 447.600 4.832 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317355889 YGQQSAIEWZCYSU-BWSGXRDBSA-N 429.370 4.538 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2ccc(C)cc2C)cc(Br)cc1OC 2322572983 FVZIKHLHRAVYAJ-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE Cc1c(OC(=O)c2cnccn2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2323203072 QLJJXTGMCICJAF-UHFFFAOYSA-N 427.243 4.927 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)CCOc4ccccc4)c3C)C2=O)cc1 2323681532 XBOYLTRNQPXHFV-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3C2=O)o1 2323701465 QCPLFMVZAZFCFL-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1nccs1 2323739124 KYEAXWGRJAPHEM-UHFFFAOYSA-N 444.459 4.734 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(C)cc1)C2=O 2323992215 FDMMIWZLEUXEDO-UHFFFAOYSA-N 437.536 4.790 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Cl)c2)c1 2324017381 IYFCUKGVFLRGSP-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2N=Cc2c(F)cccc2Cl)cc1C 2328801583 CEXLHMKXVLRUFB-UHFFFAOYSA-N 448.951 4.623 30 10 IJEE CCOc1ccc(C(=NOCc2cc(=O)c(OCc3ccccc3)cn2C)C2CC2)cc1 2330330481 LSZJZDILJRJZJE-UHFFFAOYSA-N 432.520 4.694 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1F 2330805547 MJKRHLYOLKQFCP-UHFFFAOYSA-N 425.533 4.619 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccc3c(c2)OCCO3)c1 2331138046 CTBACKXCVIVNBP-UHFFFAOYSA-N 448.470 4.859 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccs1 2331201105 NWXALSCSMWPLGW-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(Cl)cc1 2331673600 BHANZPMZHYSQET-UHFFFAOYSA-N 431.924 4.807 30 10 IJEE C=CC[C@@H](Oc1ccnc2cc(Br)cnc12)[C@@H]1CCN1C(=O)OC(C)(C)C 2361018981 SCJSEEFMOGZDQM-JKSUJKDBSA-N 434.334 4.725 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCCCC)cc1 14035671 CZKSNIZCSJXRRY-UHFFFAOYSA-N 442.581 4.871 30 10 IJEE COC(=O)c1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 15244842 BGUZEZALYQNAOS-HXUWFJFHSA-N 440.908 4.583 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1)Nc1ccccc1Cl 21076715 JAUZGGUFLACSPH-FSJBWODESA-N 439.932 4.506 30 10 IJEE Cc1cccc(N/C(=N\C(=O)c2ccc(C)c(F)c2)N2CCN(c3ccccc3)CC2)c1 32946400 QYYYQGRIIISLPS-UHFFFAOYSA-N 430.527 4.873 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 41655476 QGIFNANJOIZPJB-MTJSOVHGSA-N 434.473 4.667 30 10 IJEE CCOc1c(OC)cc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1OC 169931823 GDEIIYSDWSPOMO-OAQYLSRUSA-N 440.565 4.511 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 170065145 ALZYLXKORATLSJ-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170076163 BXKDCJGFCCAISP-IERDGZPVSA-N 436.895 4.579 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccc(O)c2)cc1 170079018 AWPQOKVMEGGRRL-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccs3)oc12 170163636 NNCYUQOUMSZPLC-HXUWFJFHSA-N 446.484 4.676 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170168009 PRJZMBYLAPBKJW-JOCHJYFZSA-N 430.529 4.800 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCC)c(OCC)c2)=C(c2ccc(Cl)cc2)C1=O 170168476 CFMQFCWBJHVACK-UHFFFAOYSA-N 426.900 4.515 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)cc1 170172456 RXQQZEUNDZXMQZ-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170199971 DFFNRLZCNOMVIP-HSZRJFAPSA-N 428.463 4.882 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(CC)cc2)cc1 170265953 YGUJKAHNNRHJFV-VWNXMTODSA-N 449.547 4.795 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268553 NJCUXDXQRZUVGB-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1C 170274353 UTWFMUAVAOLHHQ-HSZRJFAPSA-N 442.515 4.794 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@H]1c1ccco1 170297127 ADCVAZTUAHPJDD-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302327 GAPJSYQBHCFFJW-QHCPKHFHSA-N 445.471 4.759 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccn2)o1 170307266 FYPHNSKWPLWGCW-QHCPKHFHSA-N 428.488 4.640 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1sccc1C 170319711 YGIWPVMNTKZVTD-LJQANCHMSA-N 427.522 4.595 30 10 IJEE CCOc1cccc(/C=C2/Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccc(OC)cc1 210084909 UWMUDYWJVXTUOT-OEAKJJBVSA-N 446.455 4.938 30 10 IJEE CN(C)S(=O)(=O)c1ccc(-c2csc(NN=Cc3ccc(C(C)(C)C)cc3)n2)cc1 254735170 VZNDRRUAFCOHEY-UHFFFAOYSA-N 442.610 4.804 30 10 IJEE CC(C)[C@@H]1CN([C@H]2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CCN1C(=O)OC(C)(C)C 382673327 GFFQIMPARFBTNV-PMACEKPBSA-N 434.430 4.674 30 10 IJEE CC(C)(C#N)CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 405143875 WTARIXJPBDHLRK-OAQYLSRUSA-N 438.549 4.651 30 10 IJEE CN(CC(F)(F)F)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 409488128 UVQXVGFWZWYWSC-GFCCVEGCSA-N 438.290 4.712 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C(C)(C)O1 442399787 FHRYDUGARSKZNG-HXUWFJFHSA-N 439.943 4.525 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 460544378 OYCONGVPJLMCSX-INIZCTEOSA-N 444.988 4.776 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1Cc2cc(Br)ccc2C[C@H]1C 460787316 PNZLXCBJJXTNML-MRXNPFEDSA-N 438.373 4.554 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cc1C#N 479767981 BUJCMAKJJBIKKR-UHFFFAOYSA-N 445.426 4.790 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 508479562 BEPJDTNDASQSPT-SDHOMARFSA-N 444.579 4.850 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(Nc3cccc(C#N)c3)=C(SCc3ccco3)C2=O)c1 526666415 CLQMOGSCAAPNBH-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE N#Cc1cccc(N2C(=O)C(Sc3ccccc3)=C(N3CCCc4ccccc43)C2=O)c1 526680935 UACIZHYMVXRBJC-UHFFFAOYSA-N 437.524 4.888 30 10 IJEE Cc1cc(C)c(C#N)c(SC2=C(N(C)c3ccccc3)C(=O)N(c3ccccc3)C2=O)n1 526694563 LTDNGMPYNWCUQM-UHFFFAOYSA-N 440.528 4.584 30 10 IJEE COC(=O)c1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccs2)c1 526827141 LCRDLKOPIZWETI-IWIPYMOSSA-N 448.573 4.892 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2cccs2)C1 555249768 ZYLSFEMQJLQZMS-VQIMIIECSA-N 428.533 4.773 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC2(CC1)OCCc1ccsc12 558993702 HTKYXAVESUZLEO-UHFFFAOYSA-N 426.611 4.636 30 10 IJEE O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585206484 DNPHVOXKQKWDTB-OAHLLOKOSA-N 445.281 4.904 30 10 IJEE O=C(N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1cccc(Cl)c1 585827244 WUVBJVHGMOMMRW-YVNZRUEQSA-N 437.754 4.780 30 10 IJEE C=C(C)CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586213905 GIAOZXSPDIRFNF-UHFFFAOYSA-N 429.460 4.982 30 10 IJEE CCCOc1c(Br)cc(Br)cc1/C=N\[S@](=O)C(C)(C)C 692030525 HWUNJCUQHBNMMR-JFQUDDBISA-N 425.186 4.882 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)C[C@@H]1CCCN(Cc2ccccc2)C1 719941808 IXOSPTFTVRIVBH-DEOSSOPVSA-N 448.460 4.638 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 728147381 GMRMLBMZGFSPIQ-QFIPXVFZSA-N 441.487 4.816 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731831569 KVPQPXWKOCUQEE-XZOQPEGZSA-N 426.944 4.587 30 10 IJEE CCc1ccccc1N=C1S[C@H](CC(=O)NC)C(=O)N1Cc1oc2ccccc2c1C 734295693 IKAVYGCYQDJCNL-OAQYLSRUSA-N 435.549 4.571 30 10 IJEE COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739595075 FALCHKBBQZNOCZ-OAHLLOKOSA-N 436.558 4.870 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 743670032 GDQVYTYVELRYEO-QFIPXVFZSA-N 436.556 4.746 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1C#N 747250684 MXINBIZCJMSJKX-UHFFFAOYSA-N 434.883 4.794 30 10 IJEE C[C@@H](ON=C(N)c1cccnc1Oc1ccccc1)C(=O)N[C@H](C)c1cc2ccccc2o1 749790532 DESXAPHWMQMASU-IAGOWNOFSA-N 444.491 4.523 30 10 IJEE Cc1nn(-c2ccccc2)c2nc(C(=O)OCc3cc(Cl)ccc3OCC#N)ccc12 754889740 GRCCMAJOQNARQT-UHFFFAOYSA-N 432.867 4.642 30 10 IJEE Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)CCC2=O)cc1C 760967886 FCUUPECQUYJIJU-OFNKIYASSA-N 439.515 4.547 30 10 IJEE C[C@@H](OC(=O)CCc1cc2ccccc2nc1O)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 767789197 ORNDQWVTQQQDBB-GIKSKMNSSA-N 444.531 4.685 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(Cl)c1C 799211543 BPVKBSFPUGUZJF-IBGZPJMESA-N 443.956 4.831 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1oc2ccccc2c1CSc1ncccn1 804455431 ZRRUWUXWIKNFFS-IBGZPJMESA-N 427.529 4.880 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)C2)c(F)c1 1124161985 DOFIWJWSQUNUPX-HNNXBMFYSA-N 426.904 4.939 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1ccc2c(c1)OCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124415012 GFWJJKQNYFLEJV-AWEZNQCLSA-N 437.477 4.770 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)cc1 1125155403 FCHKMNGZPDACMU-UHFFFAOYSA-N 436.524 4.521 30 10 IJEE C=CCOc1ccc(OC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)cc1 1126533244 MZLZOXDPRQIFKM-SFHVURJKSA-N 449.528 4.611 30 10 IJEE C=CC[C@H](OC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 1128330444 LLXREAFRFXCXEY-IKGGRYGDSA-N 430.328 4.836 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2ccccc2)cc1Br 1128811462 XLBRUQPBCKZAKQ-UHFFFAOYSA-N 442.361 4.631 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)CC2=O)cc1Cl 1136160453 GMAVHQIKKAQINU-OXJNMPFZSA-N 428.319 4.582 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NOC2CCCCC2)c1 1138625011 CTYLOQGZIUOYGM-UHFFFAOYSA-N 448.972 4.715 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1 1146951871 XFNJGRJXKBCYBB-MNLRITNHSA-N 445.604 4.905 30 10 IJEE C#CCN1CCC[C@H](Nc2ncnc3scc(-c4ccc(Br)cc4)c23)C1 1164119555 CUTASOBSYPXUEK-INIZCTEOSA-N 427.371 4.630 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@H](C)C3)C(=O)OC 1165421140 DHLMUKQOCUCKTQ-BLLLJJGKSA-N 444.553 4.531 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccco2)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 1188244696 YQDDTGVOHKXPEI-VJANTYMQSA-N 426.586 4.828 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 1221906889 MLJQODJTYAOCOW-HXUWFJFHSA-N 431.939 4.508 30 10 IJEE C#CCSCCn1c(Nc2ccn(C)n2)nnc1-c1sc2ccccc2c1Cl 1286513694 XIEVMVCIEYKAOT-UHFFFAOYSA-N 428.974 4.657 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H](CC)OC 1286528108 QCGGHNSUWHPQQG-HYBUGGRVSA-N 445.007 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](CC)C1 1286668523 ZVOFMFTWNXFXFI-KRWDZBQOSA-N 429.996 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1286670091 CPZJOWSFLFCEHZ-RTBURBONSA-N 448.615 4.809 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCC=C(Br)C1 1286691865 SRLVITAUPQDGEN-UHFFFAOYSA-N 447.377 4.711 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1 1286709443 UCTAZDFRXXAFIC-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)C(C)C 1286752501 XYYRGCRZHBKQKB-WZONZLPQSA-N 443.586 4.941 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCO[C@H](C)C1 1286765731 INVRLPIFAOOGSY-WOJBJXKFSA-N 438.547 4.651 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286834241 BAFVYOXTZRWWHI-LJQANCHMSA-N 425.602 4.520 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)c1ccccc1 1290159397 QGSNAQVPXHZCCD-JOCHJYFZSA-N 436.533 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(C(C)(C)C)n1 1300313055 AIOOJEUXFVFWCF-INIZCTEOSA-N 442.032 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1300318092 YMGCDPIPVSLZFC-KRWDZBQOSA-N 446.624 4.805 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2ccccc2OC)C1 1300424218 CRIZDUPOOQNJPS-XKCSPQBFSA-N 436.600 4.613 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCOC1CCCC1 1300559049 IEOIIZGNSVUPFZ-UHFFFAOYSA-N 430.596 4.560 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nc(C)c(C)s1 1300605932 CJEMDOFDYBMCAJ-CQSZACIVSA-N 425.627 4.713 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1300928670 LLDGIYJSUQLPCJ-LJQANCHMSA-N 429.584 4.692 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCN(C(C)C)C(C)C)CC1 1301071154 YGTWHOPRXHHTCR-UHFFFAOYSA-N 433.604 4.610 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](C)C1 1301187190 RTHSYAGAZBQRDX-MOPGFXCFSA-N 449.665 4.691 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC=C(Br)C1 1301190465 SYZNDMCFKALDPP-UHFFFAOYSA-N 431.378 4.723 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cn3ccccc3n2)n1CCC(C)C 1301354756 IQWWRZJNKLARNY-UHFFFAOYSA-N 432.547 4.894 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(CC(C)C)CC1 1301438224 NUDJLCNUOFRWHE-UHFFFAOYSA-N 425.577 4.777 30 10 IJEE C=CCSCCn1c(N2CC[C@](C)(CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301621018 OUTBHEABBDAJRI-IXFSTUDKSA-N 449.665 4.594 30 10 IJEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)CCOC1(C)C 1305239481 BKIHKZNRUWOSEA-LPHOPBHVSA-N 429.515 4.646 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCN(C)c1ccccc1 1311573752 DLSWDFDRYWABLJ-UHFFFAOYSA-N 434.353 4.812 30 10 IJEE CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(c2ccccc2C#N)CC1 1312204352 HGLUAQNOZRQQSK-HSZRJFAPSA-N 434.584 4.966 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1314054117 GIDFITQAJHIJHZ-VLCRHTCISA-N 437.588 4.559 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ncc(C)cc1OC)c1ccc2c(c1)OCCO2 1350583704 PBQAFMNTVPXNDB-UHFFFAOYSA-N 446.503 4.582 30 10 IJEE C=CCc1cc(CNC(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)cc(OC)c1OC 1356305673 WWIGUYGWAXOJPW-UHFFFAOYSA-N 448.563 4.591 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](CC)C1 1358922896 VZUWPLJNCLRHEI-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](CC(C)C)N(C)C 1359065761 ASPRSNNMRGBICV-YADARESESA-N 445.558 4.515 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1Cc2ccccc2O[C@H](C)C1 1359079334 GKBLTNSOHLOYPS-OAHLLOKOSA-N 429.318 4.543 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359118775 BXVMIFCBBGKXRR-CQSZACIVSA-N 425.396 4.597 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1359124055 DMEMWOPXPLOEAB-HXUWFJFHSA-N 437.613 4.686 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359184793 AHJCSSYWKSHRNR-AVRDEDQJSA-N 442.604 4.816 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1359199509 YEJZLDALTRVDGG-HSZRJFAPSA-N 440.588 4.714 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(C)c1)C1CC1 1359247925 UHKQFTMXTDSBSE-UHFFFAOYSA-N 426.362 4.742 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)CN2CCCCC2)C1 1359315584 XHVCVQZVQZXFNT-DENIHFKCSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C 1359346661 RFJGBMBJNBAUNZ-KRWDZBQOSA-N 435.638 4.648 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CCCN1C(=O)OC(C)(C)C 1361054149 DNKZNYGUAKPVBW-QHCPKHFHSA-N 444.963 4.869 30 10 IJEE C#CCN(C(=O)CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCOc2ccc(Br)cc21 1435175762 NLCFFJCRHGWFQY-IUODEOHRSA-N 431.157 4.709 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC[C@H]2[C@H](c3ccccc3)C2(C)C)nnc1-c1ccco1 1436630390 ZIIZXFGDBDICKW-RXVVDRJESA-N 436.581 4.762 30 10 IJEE C=CCC1(NC(=O)c2cccc(Br)c2I)CCCC1 1437729216 KETFDABLTQIVMQ-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)cc1OC 1452964599 YJQGUZNHKOGYPB-LECLMCCNSA-N 436.335 4.772 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccn(C3CCSCC3)n2)s1 1462041440 LETORYQCAUKTFG-UHFFFAOYSA-N 429.036 4.742 30 10 IJEE CC(C)N(CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(=O)OC(C)(C)C 1465302012 FUMUNYZMLZLJAH-UHFFFAOYSA-N 427.570 4.939 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 1466816146 GRNCFIKJHZCEOG-BHIYHBOVSA-N 437.378 4.951 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1 1466816747 NEEZNHOJMXIQPL-LJQANCHMSA-N 435.362 4.827 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2sc(Br)cc2C1)c1ccc(Cl)cc1F 1470665170 CACXKLDGUJBUNK-CQSZACIVSA-N 427.726 4.745 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cscc1C 1507655501 JDUABMVKZLCJEK-UHFFFAOYSA-N 445.375 4.655 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(C)n1 1507662912 PQZMBGNRPVOPFG-IBGZPJMESA-N 443.620 4.540 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccco1 1507745732 FGDGPYXTVRVUIA-XLIONFOSSA-N 440.544 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@@H]1OC 1507764519 QRTGRRGUWKTBJB-QEEYODRMSA-N 449.418 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC[C@H](OCC)C1CCCC1 1507770444 OGWIFBAUSMRDJT-JYFHCDHNSA-N 438.591 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCCCCC1 1507805422 BJOUBRQIFXWEPF-UHFFFAOYSA-N 439.604 4.635 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(Br)o1 1507833824 JYFXNAVAHOOAKH-UHFFFAOYSA-N 431.334 4.734 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1507930253 UVDYGXOVSGKDCF-JYFHCDHNSA-N 448.615 4.505 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507955982 YBLXDUSVOUZNHX-VWLOTQADSA-N 426.605 4.680 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cccnc1OC)C1CC1 1507987874 MFIDPOXPXIBPHL-INIZCTEOSA-N 439.947 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[C@H]1C 1508001463 SICQRNPTKBULHI-NVXWUHKLSA-N 426.362 4.884 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CCc1nccc(C(F)(F)F)n1 1508004019 IDRUROVDCYBHDU-UHFFFAOYSA-N 442.489 4.790 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@@H](C(C)C)C1 1508166470 AAPPSNGBBURXOD-OAQYLSRUSA-N 446.686 4.971 30 10 IJEE CCO[C@H](CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H](C)C#N)C(C)C 1516105683 HIFQSDSLENIYHZ-FDDCHVKYSA-N 434.588 4.849 30 10 IJEE CC(=O)CCc1ccc(O[C@H](C)C(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)cc1 1522957145 MQSOSXSCLSYEQF-WJHCFOETSA-N 438.593 4.886 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(-c2ccc(F)cc2)n1 1529484990 BQJYWZWCOZERFK-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE C#CCN(C(=O)c1ccnc(O[C@H](C)CC)c1)[C@@H]1CCOc2ccc(Br)cc21 1531554451 VDYJDJMNVUOOIL-DNVCBOLYSA-N 443.341 4.621 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 1532298420 WPSJBIYKSZDCGM-INIZCTEOSA-N 436.350 4.685 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2I)cc1 1534345207 POUVMWLELVXVPY-UHFFFAOYSA-N 427.669 4.691 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3cc(Cl)ccc3n2CC)CCCN1C(=O)OC(C)(C)C 1535170221 LTWPNQUITQHJFI-QFIPXVFZSA-N 432.952 4.994 30 10 IJEE CCCNC(=O)C1(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCCCC1 1536863052 GNCLQURSFKNZFO-UHFFFAOYSA-N 439.943 4.963 30 10 IJEE N#CCc1ccc(COC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 1536934950 ATTQOPULJYTQHM-UHFFFAOYSA-N 440.528 4.836 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)CCCN1C(=O)OC(C)(C)C 1537527277 JEBOERMYSVRRMH-GKVSMKOHSA-N 440.540 4.720 30 10 IJEE C=C(C)[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(F)c(F)c1 1538994683 ADEPTWUGJQABTE-QFIPXVFZSA-N 428.479 4.747 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1539051714 FYWVMZMFWYXNJZ-UHFFFAOYSA-N 449.643 4.850 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1539059012 MMWSFTVFJDPJDU-IYBDPMFKSA-N 431.378 4.612 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@H](C)c1nccs1 1539140788 WBSOLKXQUHIFSR-SFHVURJKSA-N 425.627 4.989 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN1C1CCCCC1 1539148607 QVHQHZMBCXVTSL-ISKFKSNPSA-N 449.643 4.901 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1539162309 URGZNJHYOJAASF-GMAHTHKFSA-N 433.625 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)CCCC 1539162958 ZSIMQVGQLVSNHQ-UHFFFAOYSA-N 425.577 4.614 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[C@H]1CC 1539251739 OOMYMEXVNHTDQM-IFMALSPDSA-N 434.584 4.640 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1nccs1 1539350650 UACLOKRXZCTFPX-MRXNPFEDSA-N 425.627 4.680 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1C(F)(F)F 1539383985 RIOOGXKVHIWLIY-IEBWSBKVSA-N 434.506 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@@H](C)C1 1539622974 JJEKJAYDDGMHIX-DLRJPAPCSA-N 430.980 4.681 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1539623749 OLNCCUDNWWTSFB-YLJYHZDGSA-N 448.489 4.634 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCC[C@@H]2C)CC1 1539856351 YYVWLDQSRZSKEN-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2Cc2nc(C(C)(C)C)cs2)CC1 1539858965 GKLATODSUORZOH-UHFFFAOYSA-N 441.576 4.955 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C)CCOCC2)CC1 1539875971 ZKFYXUGKJXNDPQ-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1539909854 QSNTYAIEZBIDRJ-LJQANCHMSA-N 444.023 4.884 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(OC2CCCC2)CC1 1539971847 VRLOLXVZICDBFM-UHFFFAOYSA-N 429.634 4.918 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1540158361 FHTQHWKIDMWVKT-UHFFFAOYSA-N 443.979 4.644 30 10 IJEE O=C(O)/C=C/C(=O)N1C/C(=C/c2ccccc2Cl)C(=O)/C(=C\c2ccccc2Cl)C1 1542988291 ABOUDPJRQGWQNW-LPWPBDJFSA-N 442.298 4.513 30 10 IJEE CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N)N1CCCC1 1545951910 DSVFAILUNAQURX-WSTZPKSXSA-N 445.011 4.684 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCOc2ccc(Br)cc21 1560129805 FOJBTYNMHHIBIS-KSSFIOAISA-N 435.387 4.527 30 10 IJEE N#C[C@H]1CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 1560129960 HKNFPMQZOCSCID-LJQANCHMSA-N 434.540 4.718 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1OC 1560862264 KJCOEOZUIYFGBB-ZWKOTPCHSA-N 433.936 4.875 30 10 IJEE C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1C#N 1561394741 AFCGLEMYNIPKQU-XDHUDOTRSA-N 436.964 4.979 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCCC1 1561745458 SKVBZLINRQGVOF-UHFFFAOYSA-N 430.545 4.883 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1564083042 IUBRTYWODFTJMN-DBVUQKKJSA-N 437.531 4.965 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 1564667979 NGPZYKNOCTWYOE-OAQYLSRUSA-N 447.624 4.635 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](C)F 1569838864 CSKVNJQLCOCFQO-ZHRRBRCNSA-N 444.934 4.901 30 10 IJEE C=CC1(CC(=O)N(CCC)[C@H]2C[C@H](OCC)C23CCCC3)CN(C(=O)OC(C)(C)C)C1 1586443673 CVTCDRVMPNOTJX-PMACEKPBSA-N 434.621 4.776 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1587723289 HMNVLMYUNNHUNO-JOCHJYFZSA-N 436.531 4.975 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCN1CCCC[C@@H]1C 1588011449 BCOVJYADGDVCES-QFIPXVFZSA-N 437.632 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1c(CC)nn(C)c1CC 1589669138 LSLSPWVEEUCAEB-UHFFFAOYSA-N 441.023 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCCC1(C)C 1589687346 CHRVENVWMZVGEJ-HSZRJFAPSA-N 432.996 4.854 30 10 IJEE C=C(C)Cn1c(N(C)[C@@H](C)CCSCC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593677562 BQVMELWQSVNPSL-OKZBNKHCSA-N 437.654 4.593 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1594698069 JRMYVFYKZBLYLR-LJQANCHMSA-N 443.592 4.896 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)c2cccs2)CC1 1595319180 DRJURCWMAINRMJ-INIZCTEOSA-N 440.544 4.904 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccccc1OC 1595890596 ZQEKOEKZCFDHHB-NRFANRHFSA-N 435.597 4.533 30 10 IJEE C=CC1(CC(=O)Nc2nnc(SCc3ccccc3)s2)CN(C(=O)OC(C)(C)C)C1 1596641261 ZEXATAPNYOKZHX-UHFFFAOYSA-N 446.598 4.582 30 10 IJEE CC1(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1607633594 HOVAVMULOYMMKM-UHFFFAOYSA-N 441.915 4.743 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1CCOc1ccc(Cl)cn1 1613446456 BVDRKVPYSVSTGP-YLJYHZDGSA-N 438.963 4.686 30 10 IJEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](SC)C(C)(C)C 1615563092 DIRXSFAIYDTJMM-PMACEKPBSA-N 427.618 4.600 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3c(F)cccc3-n3cccn3)cc2)cc1 1622985558 FIHGIBXWNVQPFR-UHFFFAOYSA-N 427.439 4.997 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(Br)cc1 1623803148 VQGXNKJMHFPIJA-CQSZACIVSA-N 444.073 4.986 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc(COC(C)(C)C)on1 1625538282 FXSONTRVDDXMMZ-UHFFFAOYSA-N 438.322 4.639 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)CN(C(=O)OC(C)(C)C)C1 1625771162 FLWORPPFVJFZMW-UHFFFAOYSA-N 441.553 4.764 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2n1 1627664671 XYSCGYFWFISRRY-NRFANRHFSA-N 435.528 4.610 30 10 IJEE O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cc(Br)cc2nc(O)[nH]c12 1629248795 JFQTVFJAAAVBIQ-UHFFFAOYSA-N 432.277 4.683 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 1631846820 ORKLPXVGVLLNAB-NRFANRHFSA-N 425.573 4.902 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)C1 1632527155 ACXMWXZIQDUCHQ-RBBKRZOGSA-N 433.552 4.506 30 10 IJEE C#CC[C@H](NC(=O)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccccc1 1633352027 QFTLJRXFWFRCOA-ZEVJAHDQSA-N 444.506 4.641 30 10 IJEE C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1633795573 HJQMXDCGOUODOT-INIZCTEOSA-N 433.383 4.569 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)c1ccccc1 1634135027 RHTGPGTZIUAPAC-HSZRJFAPSA-N 429.568 4.723 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)C(=O)OC 1640684457 ZYBISRBZLOWLBV-SFHVURJKSA-N 440.590 4.595 30 10 IJEE COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN(C)[C@H](C)CC#N)cc1 1642257759 CJRSNNUMLXUYLG-BCHFMIIMSA-N 440.547 4.760 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1644215450 XHRYOPOXDRHAGC-IRXDYDNUSA-N 425.451 4.527 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)c(Cl)c1 1645997600 GFNFFUZEZDJAAR-UHFFFAOYSA-N 442.899 4.822 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@]12CCCC[C@H]1CC(=O)O2 1652469470 QMHXZUFVHLECIO-YCRPNKLZSA-N 433.961 4.665 30 10 IJEE C=CCSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1-c1ccccc1OCC 1652489033 SUKVIUDEMOHXDF-UHFFFAOYSA-N 445.610 4.733 30 10 IJEE C#Cc1ccc(NC(=O)CCN(Cc2cc(Br)ccc2OCC)C2CC2)cc1 1657268200 INVDVHBTDFGGFH-UHFFFAOYSA-N 441.369 4.822 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1OC 1659404453 LTDRFKUCQLLBJG-UHFFFAOYSA-N 427.928 4.974 30 10 IJEE O=S(=O)(Cc1ccc(F)cc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1659478183 AAWDJSWCWMMBSG-IAZYJMLFSA-N 441.796 4.808 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c1 1660064547 ZJZPABVXIDYJCL-UHFFFAOYSA-N 433.154 4.952 30 10 IJEE CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Br)c1 1661643594 ALXCDPSHIWSNMO-FQEVSTJZSA-N 429.362 4.599 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cc(Br)c1 1663084266 HRMNLHUOAZFMEE-IAQYHMDHSA-N 437.197 4.625 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(F)cc1 1665946163 SDDONZCEFPAKKN-DHIUTWEWSA-N 433.552 4.660 30 10 IJEE C=C(C)COc1cccc(NC(=O)Nc2cc(-c3ccn(Cc4ccccc4)n3)[nH]n2)c1 1666768532 MNFULWJPRWBSCQ-UHFFFAOYSA-N 428.496 4.920 30 10 IJEE O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)cc1OCC(F)(F)F 1667161301 GHCUQYQLDVJIBO-UHFFFAOYSA-N 426.288 4.987 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1671187354 RADXSQWKADUOJO-VQTJNVASSA-N 438.572 4.518 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1684774544 XUYUXYJZPOVRSK-KSSFIOAISA-N 449.866 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nccs1 1689830599 BEXDCAPYZOVQOG-CYBMUJFWSA-N 427.986 4.970 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccccc1C 1690243550 MHGMDNXYGIDBPC-ISKFKSNPSA-N 431.584 4.965 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1690338668 FOIABDGCFHFTNE-OALUTQOASA-N 429.996 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2C)CC1 1690426712 YFBIULWKWSPULV-UHFFFAOYSA-N 430.600 4.573 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2c(C)cccc2C1)C(C)C 1690581690 WUAQPVPUDXMPTD-VWLOTQADSA-N 444.627 4.843 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1CC(F)(F)C1 1690737868 ZYKDCSVWDBIHAN-UHFFFAOYSA-N 429.540 4.894 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC(C)CC2)c1 1693319185 BLUHOVPDVHVFCQ-HXUWFJFHSA-N 448.640 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCCC1(F)F 1705485999 UTFNLZVGNWJMAR-FUHWJXTLSA-N 432.515 4.636 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCCC2)C1 1705654493 KIBUEPJYHZLYRB-UHFFFAOYSA-N 438.641 4.758 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1705738455 YKZGSPJUKHGSMY-UHFFFAOYSA-N 446.382 4.842 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1705748144 DOGGQMJVLCFBNM-LJQANCHMSA-N 444.988 4.953 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](CC)N2CCCC2)CC1 1705777316 FFGFVAFPWYTYLA-FQEVSTJZSA-N 445.558 4.823 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)S[C@H](C)C1 1705817233 FPIIURWWFMEROR-OTWHNJEPSA-N 449.665 4.689 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2cccc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 1705824223 JSAPYYDFBLZENL-RCZVLFRGSA-N 440.588 4.635 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1ccco1)C1CC1 1705849290 IULDLDKQXABPRQ-CLOONOSVSA-N 436.556 4.690 30 10 IJEE COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCc2ccc(Cl)s2)cc1 1711873244 GJAOFFPHSJLODV-HNNXBMFYSA-N 445.976 4.562 30 10 IJEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2sccc2Br)c1 1711897851 HXEMRQYWQUKJBH-ZDUSSCGKSA-N 446.374 4.564 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2sccc2C1 1722306674 MVZVYYKXPWZVNT-UHFFFAOYSA-N 433.581 4.575 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1722311579 HUIANEIHXSJMFO-SFHVURJKSA-N 430.955 4.794 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722312274 AVJMVLJTGZVHIE-OAQYLSRUSA-N 430.581 4.769 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC(CC)(CC)OC 1722467360 RQDJJBNTLVHLDV-WZONZLPQSA-N 428.552 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCCOCC 1722470069 AEEZQSLJDDPRSY-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](C)C1 1722529890 GXBCPRNEGMNMLE-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1CCO[C@H](C)C1 1722668450 YYAGISSQVGMWJK-RTWAWAEBSA-N 437.588 4.531 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(CC)CCC2)C1 1722710430 ITBYDWMCXDXNCD-NQIIRXRSSA-N 428.552 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(Cl)c2C)C1 1722720933 PLCTVVYPXDROQV-IBGZPJMESA-N 428.989 4.722 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CC#N)CC1 1722733020 VJEMMELFMBJWKA-KRWDZBQOSA-N 429.565 4.606 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(Cl)s1 1740666418 PCEOAIIRFBUBLZ-UHFFFAOYSA-N 430.961 4.575 30 10 IJEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1740715000 QCEAYGOJVWFBQY-UHFFFAOYSA-N 431.609 4.573 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)cc1C(F)(F)F 1740772871 NZLYDFZPAXTQRM-MRXNPFEDSA-N 426.458 4.781 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnn(CC)c1 1740851662 BGUWDMUVJKJQQJ-WOJBJXKFSA-N 428.625 4.652 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCOC(C)(C)C 1740858114 IQBNUWVEKNLPKN-UHFFFAOYSA-N 438.414 4.654 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)CC 1740922358 DPUXJCBLTYNYJW-DEOSSOPVSA-N 448.596 4.750 30 10 IJEE CC(C)c1nc(CCn2c(Cn3ccc4ccccc43)nnc2N(C)[C@H](C)CC#N)cs1 1741326270 DOOGFQMGVMAQDN-GOSISDBHSA-N 447.612 4.842 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)s1 1747706435 CREYNECCKRLJJU-UHFFFAOYSA-N 434.956 4.535 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1748736803 RHOQJZYWSZWLFH-PZJWPPBQSA-N 442.007 4.550 30 10 IJEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CC1CCC(C(F)(F)F)CC1 1748975948 GINMREFQIHBTQQ-KLAILNCOSA-N 435.494 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@](C)(O)C1CCCCC1 1749149049 PBLUPNJCMHAIIX-VWLOTQADSA-N 442.604 4.696 30 10 IJEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCN(C(C)C)C(C)C)CC1 1749345681 QTNIWCODFRIAHB-UHFFFAOYSA-N 434.632 4.871 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@H](c1ccco1)N(C)C 1749531506 IQCDOASLURLJBW-HSZRJFAPSA-N 444.583 4.896 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1749538432 ITOZJIJJFBNORR-VXKWHMMOSA-N 437.632 4.628 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1 1749745354 ZKBUQZUPAFBJNH-HOTGVXAUSA-N 439.050 4.932 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC(F)(F)C1 1751091303 GWCHCVPFCPLGOA-KBPBESRZSA-N 425.430 4.720 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2cccs2)C1 1751275938 ABOZFYQGNPRXDY-JOCHJYFZSA-N 441.988 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCSC1(C)C 1760299126 IFSTYXWMJSFBES-ZVVFGRKBSA-N 430.662 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(C)cc(C)cc1C 1760339295 CTZKDEJGIZNVED-UHFFFAOYSA-N 428.584 4.893 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)CC1 1760348126 UOBPKWACEJNUFR-UHFFFAOYSA-N 425.621 4.509 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1760351482 HSTQZJIBNDYJCW-DLBZAZTESA-N 438.494 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760413755 SPBFWWVOPMSQGP-UTKZUKDTSA-N 430.543 4.755 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1SC 1760507110 GXSMQNWXQHZWKG-UHFFFAOYSA-N 432.391 4.590 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCS[C@H](C(C)C)C2)cc1 1760530789 YLEHDEFLLMJRGE-QFIPXVFZSA-N 435.597 4.531 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 1760560519 XVGCIXIHBFWGSB-AWEZNQCLSA-N 428.936 4.836 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(CCC#N)CC1CC1 1760744354 CHPYHFPVSWERRV-GMAHTHKFSA-N 427.637 4.982 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COC)C1 1768377017 ANPFMHABKNOZJT-FQEVSTJZSA-N 427.618 4.601 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1CCCC(F)(F)F 1770525327 DAAPPDDPZWVIRL-CQSZACIVSA-N 427.496 4.517 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccccc4F)nc3c2)nc1C 1859736956 FDUOQVQNFGZENB-UHFFFAOYSA-N 437.452 4.994 30 10 IJEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)Cc1ccc(OC)c(OC)c1 1861852112 ISNPMHHPWOZXPM-RUZDIDTESA-N 434.621 4.788 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862434545 BFZOBICOXFLXQO-OAQYLSRUSA-N 440.971 4.777 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)c1 1862491416 SHCKMIAMUWDJQF-GHTZIAJQSA-N 425.912 4.714 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 1862604822 IRPGFABEOWTIBN-HSZRJFAPSA-N 433.504 4.759 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Br)ccc2F)cc1 1862697617 NVDSHDRTZJCSFX-SFHVURJKSA-N 448.288 4.584 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)cc3)C2=O)cc1Cl 1862888355 ZJACCKNICVABGK-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1sccc1C 1864505908 VXEQAFCISUKISL-SFHVURJKSA-N 448.592 4.573 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)COc2cc(Cl)ccc2Cl)n(C(C)(C)C)n1 1870000450 PLCMWBFMHNXNPH-UHFFFAOYSA-N 438.359 4.536 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)COc1ccc(Cl)cc1 1870152670 FJFIOVBEUMQESN-UHFFFAOYSA-N 445.866 4.602 30 10 IJEE CCCCCCCOc1cn(CCCCCCO)c(CSc2ncccn2)cc1=O 1870259800 JIZUNQGUUHTVOC-UHFFFAOYSA-N 433.618 4.833 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871004809 ZJMGHPHTAGBYCW-UHFFFAOYSA-N 426.438 4.848 30 10 IJEE C[C@@H](NS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccc2c(c1)CCCC2 1871286062 NNEADIQFDGDCJC-CQSZACIVSA-N 441.940 4.785 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)cc1 1871372906 QRJSFJJMTUPVFV-QRVIBDJDSA-N 428.440 4.925 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)cc1 1871385940 UWHCBPVRWRKSND-KQWNVCNZSA-N 442.467 4.936 30 10 IJEE CCCCN(CCO)Cc1c(O)cc(C)c2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871397662 GHJFZPZVLIUXLB-NDENLUEZSA-N 433.907 4.704 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)c1 1871425174 GPVOOANOXCCUSQ-PXNCGERRSA-N 449.459 4.627 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872210110 WIJMTRQSVGWVEO-HSZRJFAPSA-N 426.582 4.749 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872453112 OQGROVUIZVVELW-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N(CC)CC)cc1)n2CC=C 1873662169 JTFJSNVCMYXIEP-UHFFFAOYSA-N 444.583 4.894 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873664994 BOPKZQBOQDNTTD-IRXDYDNUSA-N 433.556 4.669 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(O)c(O)c1 1874230570 QAWSNVSGGIDQPU-AUEPDCJTSA-N 444.944 4.781 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(OC)cc1OC 1874254489 FLUMEKCOPHUTGG-ZMOGYAJESA-N 440.569 4.794 30 10 IJEE Cc1cccc(OCc2nnc(SCCO)n2/N=C/c2cccc3ccccc23)c1C 1874326327 JMJYZXPRDSNJIB-MFKUBSTISA-N 432.549 4.594 30 10 IJEE Cc1ccccc1CCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccccc1 1874363833 DRKQRSXWYPXYBZ-MFKUBSTISA-N 436.581 4.545 30 10 IJEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874491176 CVZDLIOBGDSOKW-SSDVNMTOSA-N 445.932 4.918 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2)ccc1OC 1874570498 VNILNTHCJLIBMS-OEAKJJBVSA-N 446.960 4.521 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OCC(=O)OCC(C)C 1874604515 QYDJLRHBELTMOS-JXMROGBWSA-N 442.508 4.577 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCc1nc(O)c2ccccc2n1 1874611137 CHQKLRBPTBSLRZ-ACCUITESSA-N 442.471 4.828 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OC(C)=O 1875099691 UBPFKKNKMUTEPR-SOFGYWHQSA-N 449.297 4.686 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OC(C)(C)C)cc1N(C)C(=O)OC(C)(C)C 1887521801 XIBDADLNBDRQPJ-UHFFFAOYSA-N 447.381 4.621 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 1890587474 ZTJLUFKIZCHPFK-LJQANCHMSA-N 432.549 4.685 30 10 IJEE CN(CC1CCN(C(=O)[C@H](c2ccccc2)C2CCCCC2)CC1)c1ncccc1C#N 1890982456 KVSLAMHIZLTYNU-RUZDIDTESA-N 430.596 4.992 30 10 IJEE Cc1ccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1Br 1891059769 AVDLDQMXCFFZLR-UHFFFAOYSA-N 426.232 4.589 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3ccc(-c4nccs4)cc3)n[nH]2)c1C 1892216010 KTROFRJUWFQALQ-UHFFFAOYSA-N 432.553 4.520 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 1922080481 OLJWDFMUNPPHEW-QHCPKHFHSA-N 425.573 4.833 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2005330047 XQFGZCORCSUUKU-VFNWGFHPSA-N 434.541 4.511 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Cc2ccc(Cl)c(Br)c2F)C1 2077082835 NXBVOTZEKFTBGK-UHFFFAOYSA-N 432.717 4.967 30 10 IJEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(O)c1 2079848540 JHMIVMNITNSEPZ-AWEZNQCLSA-N 432.240 4.886 30 10 IJEE CC(C)c1nn2c(O)c(C#N)cnc2c1-c1ccc(C(F)(F)F)c(Br)c1 2081165566 TWNFFZZOJHHSRN-UHFFFAOYSA-N 425.208 4.878 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc(Cl)n2nc(C(F)(F)F)c(C#N)c2n1 2081404101 KMOTVPGICHABKZ-LBPRGKRZSA-N 429.830 4.735 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(Br)cc1F 2102883961 KTESSTUDOHLXQL-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE N#C[C@@]1(Nc2ccc(Br)cc2)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156276653 HACJAJJXPJTWGL-FGZHOGPDSA-N 426.358 4.578 30 10 IJEE N#Cc1ncc(Br)cc1N1CCC2(CCN(Cc3ccccc3)CC2)CC1 2167551580 UUHVPLAVSBKJHF-UHFFFAOYSA-N 425.374 4.598 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CC=CCC1 2196085217 JXQKIZJOXVILIA-CXAGYDPISA-N 434.334 4.509 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(C)nn(C)c2Br)c1 2197536754 UQIDALAJJUGQLJ-HNNXBMFYSA-N 435.322 4.506 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#Cc1ccc(Cl)cc1 2212453488 UVOHINKKUMOOJJ-HSQYWUDLSA-N 429.944 4.551 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(F)cc1Br 2225596250 PZVLPTBJIQHEBQ-WBVHZDCISA-N 431.321 4.685 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2235722798 GERYJGKTTVKBOH-HKUYNNGSSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCCCN1C(=O)OC(C)(C)C 2235727807 QALIUKIQHWPCKH-UXHICEINSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)ccc1F 2269000007 YHEWZFKESVFDNN-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)(C(=O)C#Cc1cccc(Br)c1)C2 2296224578 LOQOJLVRRAYKCD-UHFFFAOYSA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@@H](N)C#Cc3cccc(Br)c3)c2C1 2296267469 UAEAUQKPTGAOTO-FQEVSTJZSA-N 427.342 4.751 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2296287078 SDQYOIBWCBMDSD-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCC[C@H]1NC(=O)OC(C)(C)C 2296296817 RWBMQHNUZIYKEW-WOIUINJBSA-N 435.406 4.862 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 2297747595 JPJXQUVUDZEKHH-FQEVSTJZSA-N 447.362 4.675 30 10 IJEE C=CC[C@@H](Oc1cc(NC(=O)OC(C)(C)C)ccc1N)[C@H]1CCN1C(=O)OC(C)(C)C 2299393490 NKTZPEZYGYRSSX-QZTJIDSGSA-N 433.549 4.949 30 10 IJEE CC1(C)C[C@@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1OCc1ccccc1 2317245316 RAZFUXKFZMQVAA-UXHICEINSA-N 442.796 4.830 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NC[C@H]2CCCCN2Cc2ccccc2)OC1(C)C 2317254802 HCSUYBMXEHNZHG-HXUWFJFHSA-N 441.812 4.501 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1OC 2318582018 KPWMFCAITVGYQZ-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(Cc1ccccc1)CO2 2321981750 FZOXMIVMKFLESV-UHFFFAOYSA-N 427.456 4.692 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccco4)c3C)C2=O)cc1 2323168756 ZENKXOLTOZCFGR-UHFFFAOYSA-N 430.412 4.610 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)NCCC 2323626530 CWJYLJSSVSAOCN-UHFFFAOYSA-N 427.928 4.878 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1nccs1 2323815917 BJYAVRVQJNPZSU-UHFFFAOYSA-N 434.517 4.794 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC 2324709169 KJQRMOPWDFTCLP-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1cccn1C 2326832670 ZDMNOXVJVYTLDM-UHFFFAOYSA-N 447.564 4.769 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(F)cc1 2326935773 WLGAYYYHZCRSQV-UHFFFAOYSA-N 428.577 4.533 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)c1 2329918549 ACJJVSVBZDEJIG-UHFFFAOYSA-N 445.504 4.940 30 10 IJEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330012297 LLODRQFKQFDMRV-UHFFFAOYSA-N 430.961 4.929 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(F)cc3)c(OC)c2)c1 2330777845 WOTYDHPHAQCSBQ-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C1CCCC1 2331019254 CUKXQZVKNNZXOL-UHFFFAOYSA-N 435.553 4.557 30 10 IJEE CCCCc1nnc(SCCCO)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331348673 MWSZEOUFMCPKCZ-UHFFFAOYSA-N 438.597 4.865 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1 2331376739 OIBKMLRZLMVFRP-UHFFFAOYSA-N 445.951 4.981 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331659022 LZZVIEOYVVZRKM-FQEVSTJZSA-N 444.911 4.955 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CC2)cc(Cl)c1O 2331734041 XLUPUOHLOFKBFQ-UHFFFAOYSA-N 432.908 4.837 30 10 IJEE C[C@H]1[C@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339595955 FUSXTVQVVBRAAE-HKUYNNGSSA-N 444.381 4.751 30 10 IJEE C[C@H]1CCC(=NO)[C@@H](OCc2ccc(I)c(Br)c2)C1 2349837021 POCHXGSNWPSQLN-XPTSAGLGSA-N 438.103 4.589 30 10 IJEE C=CCCC1(C(=O)c2cc(Br)cc(COC)c2)CN(C(=O)OC(C)(C)C)C1 2362294028 NXEBDPYHZKCAHN-UHFFFAOYSA-N 438.362 4.982 30 10 IJEE CC#CCN(C[C@@H](Cc1c(F)cccc1Br)NCCC)C(=O)OC(C)(C)C 2363124032 HEKMOOGWXBKRDK-MRXNPFEDSA-N 441.385 4.759 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(OC)cc2OC)C3=O)c1 2158090 OSXJKTZTLZSFCE-FSJBWODESA-N 432.428 4.548 30 10 IJEE Cc1cccc(CSc2nc3n(n2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N3)c1 20134239 NSHVIPONEOGEHQ-OAQYLSRUSA-N 447.520 4.809 30 10 IJEE Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/C(=O)c2ccc(Cl)cc2)N3)cc1 20176992 GDLDLFNOZFPMNO-XKZIYDEJSA-N 445.906 4.709 30 10 IJEE C=CCOc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCOC)cc1 38705210 BHNVRCCLADPTSW-VWLOTQADSA-N 447.535 4.546 30 10 IJEE COc1ccc(N=C2S[C@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2ccccc2)cc1 55211632 AUQLFDJUAJZFGP-QFIPXVFZSA-N 445.544 4.856 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc2nc(-c3ccccc3)cn12 62887663 ZSABPTJWZXRLGY-UHFFFAOYSA-N 432.505 4.728 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2F)/C1=C(/O)c1ccco1 102497191 UFWWXKSLLPAAMM-VZCCSQPZSA-N 438.411 4.794 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2cccs2)c1 169988973 NFVBGKURPFMEAL-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccncc2)cc1Cl 170021777 ZIAZFLRUFZXQOZ-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccc(C)o2)c1 170102044 FVBYONQLJGKDTC-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170113395 YMYGOHUPAPIEAS-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccc(OC)cc1 170116178 CXDZZRJGICLDLH-LJQANCHMSA-N 444.325 4.754 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)c1 170182700 LYOIWXBCVMIWHA-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccncc2)c1C 170203168 KUSCGQDJZKJSLX-FYSMJZIKSA-N 440.499 4.805 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1OC 170242244 QWOACDPJIMEIRO-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3ccccc3F)ccc2O1 170248963 ONOOYKQHAWRJBR-LFVRLGFBSA-N 445.446 4.638 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1C 170274025 CNWVEZSXFCIEHK-QFIPXVFZSA-N 431.488 4.992 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)cc1 170274799 XFEMSIJZNSJEOR-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1cccnc1 170274811 QSUWZIPSEIYMQJ-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301729 AGHBGAFXTNZVMV-NRFANRHFSA-N 432.432 4.896 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCC)c1 170324113 NQWIEFMQNLLCOC-OAQYLSRUSA-N 436.464 4.538 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 170335747 WNKKBPRGWFYYHU-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170347385 RLNJGWKURWRIDA-QFIPXVFZSA-N 428.444 4.721 30 10 IJEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)c1 170373158 SQKAPHKSNMBIEU-NRFANRHFSA-N 431.444 4.629 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 170432200 WQBBVDQUYRFUDR-GOSISDBHSA-N 426.469 4.569 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(N(C)C)cc2)c1 170446784 MBMNAHPSOLYVGW-DEOSSOPVSA-N 436.552 4.662 30 10 IJEE CC(C)[C@H]1CN(C(=O)c2sccc2C#N)c2ccccc2N1C(=O)c1sccc1C#N 427621519 NQCXRSMUGYYTQY-LJQANCHMSA-N 446.557 4.885 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 508480937 LPXWICOCSPBPMF-QHCPKHFHSA-N 431.515 4.562 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 508850229 UOGIYNOTDKDPAW-CYBMUJFWSA-N 432.288 4.637 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 563943965 NSHYGHNLMBRWDZ-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=CCCCN(C)C(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 605645121 IAZWRVTUTVBROH-UHFFFAOYSA-N 426.626 4.902 30 10 IJEE C#Cc1ccc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 687754602 MWEKJGYVYCBCOQ-MHZLTWQESA-N 425.484 4.897 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)ccc1C 733197626 PWWVUELZKNUEMO-FQEVSTJZSA-N 441.503 4.565 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc(F)cc1 735970232 YFEXNAMVJAMBNV-SFHVURJKSA-N 447.919 4.547 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cc(Oc2cccc(Br)c2)ccn1 767202144 GASANKLOOGYTAP-UHFFFAOYSA-N 427.220 4.664 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CCCN1C(=O)OC(C)(C)C 790647533 BWSSVRHBOARZGA-KCWXNJEJSA-N 440.993 4.503 30 10 IJEE C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 790693993 FTZIFJSTGIAIIS-YLJYHZDGSA-N 441.503 4.727 30 10 IJEE CC(C)c1c(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cnn1-c1ccccc1 913379769 FGNZAYIWSMDEAK-OAHLLOKOSA-N 448.548 4.602 30 10 IJEE C=CCn1c(Sc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])nnc1-c1ccccc1F 931411389 QOBYCJCRLMUGIP-PKNBQFBNSA-N 440.456 4.516 30 10 IJEE CC/N=C1/S/C(=C\c2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)C(=O)N1CC 1084244706 RJOFVYQLXDCOAF-QLIPUSLZSA-N 445.972 4.846 30 10 IJEE C=C[C@@](C)(CC)C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1124159412 LPSZVQHEISYZGA-RNUYOQPASA-N 427.353 4.748 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCc3cc(C#N)ccc32)[C@H]1c1ccc(Cl)c(F)c1 1129758388 BZGUQKKXDWJRGY-HTAPYJJXSA-N 439.918 4.628 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1NC(C)C 1137155509 XTEOCZJACIWIDF-MRXNPFEDSA-N 438.366 4.515 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12)C(C)C 1144198035 SBCGHYWHOSOBPV-HSZRJFAPSA-N 432.568 4.935 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(-c2cccc(Br)c2)no1)C(C)C 1144203531 AAHDKBCLKNIOGB-LJQANCHMSA-N 432.362 4.533 30 10 IJEE C=CC1(CC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CN(C(=O)OC(C)(C)C)C1 1155864254 VHNSOSYMHWRKOY-SAABIXHNSA-N 438.490 4.881 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC(COc3ccccc3C(F)(F)F)CC2)cc1 1169464115 ZGGQBOAKJCVEFR-UHFFFAOYSA-N 430.470 4.806 30 10 IJEE CCCCN([C@@H](C)c1ccc(C)o1)S(=O)(=O)c1cc(Br)ccc1C#N 1186025795 GPKCIBNOKWODFN-AWEZNQCLSA-N 425.348 4.774 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(CC)cc2)C(C)C)cc1 1198244552 PVWJWUKEFGLAFP-QFIPXVFZSA-N 429.586 4.574 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](C3CC3)[C@@H](CO)C3CC3)cc2Cl)c1 1199731169 BERWETHDRAKSAJ-REWPJTCUSA-N 439.943 4.709 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCc2c(cccc2NC(C)=O)C1 1206203882 XRRKYFZPBAHYCF-UHFFFAOYSA-N 444.329 4.563 30 10 IJEE Cc1ccc(S(=O)(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(Br)c1 1209919200 HMCXLCRKPHPHJG-UHFFFAOYSA-N 447.379 4.836 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H](CC(=O)OC)c1ccc(C(C)(C)C)cc1 1215510448 SGVLLWHEKOAVCL-IBGZPJMESA-N 426.488 4.561 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 1220692845 FBHUBYXLHGTTSJ-UUOWRZLLSA-N 429.495 4.742 30 10 IJEE Cc1c([C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C(C)C)oc2ccccc12 1227533582 CORPEBKMXUITTE-QHCPKHFHSA-N 434.515 4.981 30 10 IJEE C#CCN(C(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCCc2ccccc21 1230020678 KTSKBTMIBZZRTE-HXABMTEBSA-N 429.608 4.865 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c1 1264918882 AHMGJUZZGURGAK-UHFFFAOYSA-N 429.467 4.667 30 10 IJEE C#C[C@@H](NC(=O)c1csc(Cc2ccccc2F)n1)c1ccc(Br)cc1 1275473833 HUIBFMXSCJINPW-QGZVFWFLSA-N 429.314 4.740 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286317405 LWHTYZZJBNOXSO-HXUWFJFHSA-N 449.002 4.508 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1286400061 VBSXNTFOVCQVTO-RTBURBONSA-N 444.501 4.846 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1sccc1C 1286406495 VMCHIILHHARSLQ-UHFFFAOYSA-N 442.544 4.608 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CC=C)C1CC1 1286496250 BVXBOLLMCOKDTJ-UHFFFAOYSA-N 431.609 4.874 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1[C@@H]1C[C@H]1C(C)C 1286517435 HIWIWVBRJKCRQD-DKZVUGQWSA-N 443.389 4.925 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@](C)(O)c1cccs1 1286519193 SYYQGFLXEFJXDL-BUUDZMLXSA-N 434.609 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)Oc1ccccc1C 1286579832 UNIAQVMDKCRVGF-SFHVURJKSA-N 425.602 4.812 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](COCC)C1 1286621156 BRNDMFYPTZTGTM-HNNXBMFYSA-N 425.360 4.613 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(N(C)C)CCCC2)CC1 1286639088 XNMRHTBYEKYROP-UHFFFAOYSA-N 431.531 4.577 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1286648556 FZROZPUUXHHGNF-NFBKMPQASA-N 437.632 4.751 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(C)C)C1 1286707455 CUAVASQIJMKMEI-NRFANRHFSA-N 434.588 4.800 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(Br)cc1)C1CC1 1286736359 DKEFLBSZXYMILR-LJQANCHMSA-N 431.378 4.680 30 10 IJEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1 1288395144 IFVILDDUFIPCDQ-UHFFFAOYSA-N 431.496 4.635 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCCS2)C1 1288974897 ICTKJPSLRAJFRD-AVRDEDQJSA-N 447.555 4.962 30 10 IJEE Cc1nc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H](C)C#N)sc1C 1289148311 HINMGGJWNZQQPJ-HIFRSBDPSA-N 444.992 4.789 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCCCC1 1300269984 ABORFZVAWDSLCN-OALUTQOASA-N 445.007 4.841 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1OC1CCCC1 1300286309 HQQZIEOLMVUCBA-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1300347659 GEZYTWQHPQAEJN-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCc1cccc(OCCC)c1 1300800855 AQTMRNJQFQRKEU-AREMUKBSSA-N 429.568 4.672 30 10 IJEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccccc1C 1300830727 JUTGPKJQOZQQJT-MJGOQNOKSA-N 449.393 4.561 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2ccco2)C1 1300972817 QHXAQVOEZHOODZ-FYYLOGMGSA-N 436.556 4.584 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1301346997 MOJTZZPVOGUGNU-AJTFRIOCSA-N 446.643 4.987 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCCC2)nc1 1301374769 FFAPCJVWEDLAQK-UHFFFAOYSA-N 434.975 4.820 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-c3ccsc3)nc2)C1 1301556874 KCEBINYDYVIDKA-HXUWFJFHSA-N 437.613 4.820 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCCCCC)nc2sc3c(c2c1=O)CCCCC3 1307238877 FJUWWACMVUSUGL-OAHLLOKOSA-N 433.643 4.700 30 10 IJEE C=CCn1c(SCCc2ccc(C(N)=O)cc2)nc2sc(-c3ccccc3)cc2c1=O 1307284254 RNHBVUCWIZCCAB-UHFFFAOYSA-N 447.585 4.745 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCCOc1ccc(Br)cc1 1307311898 HCEXDBWZFXWPEB-UHFFFAOYSA-N 446.370 4.977 30 10 IJEE CC1(C)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[S@]1=O 1310171404 GRKPIIMKTRHNMS-GDLZYMKVSA-N 431.945 4.769 30 10 IJEE CCCc1c(NC(=O)N(C)[C@@H](C)Cc2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 1321655125 GWCKLWVDKBVJND-SFHVURJKSA-N 431.540 4.800 30 10 IJEE C=CC[C@@]1(c2nnc(-c3ccc(OCC)c(OC)c3)o2)CCCN1C(=O)OC(C)(C)C 1323059293 IKVCTUGSDRJHIW-QHCPKHFHSA-N 429.517 4.946 30 10 IJEE CC(C)(C)c1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n2)cc1 1347918127 AODKTKRTKFOIJP-SFHVURJKSA-N 444.560 4.971 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1 1351481356 DHTUZRZADNAKRV-SANMLTNESA-N 426.516 4.959 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC1 1359093238 LHTCGTRGGQSLIS-PKOBYXMFSA-N 431.378 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H]1CCO[C@H](C)C1 1359109636 JCQSXXAXCAEZNE-RTBURBONSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1359178493 SVZMFNKMRRIJDJ-QUCCMNQESA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1359192686 LOHNIUWACNJZLH-VWLOTQADSA-N 442.604 4.714 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCOCC1 1359199535 ZHBDGJJGJSFIHH-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1359204802 BOWWJWYHALKCGW-PMACEKPBSA-N 431.625 4.717 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1359211856 QSWSHXZPMQMSCD-LJQANCHMSA-N 427.911 4.677 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1nc(C)c(C)s1 1359234338 LXNSCALEANBTRH-UHFFFAOYSA-N 438.420 4.707 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@H](C1CC1)N(C)C 1359262545 XAQGGBXSJYGCGJ-OAQYLSRUSA-N 425.577 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCc2cccnc21 1359274705 XEVVWCGCVJZOSK-FQEVSTJZSA-N 433.531 4.690 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1359285409 FTGVVCJYGBJCDA-RDJZCZTQSA-N 449.393 4.544 30 10 IJEE CC(C)c1ncc(Br)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)n1 1435628666 HKTSLKRYCKZXHQ-UHFFFAOYSA-N 428.315 4.610 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3c(F)cccc3F)C3CCCC3)n[nH]2)c1C 1443695030 ZVPSTLLSJQIXDS-UHFFFAOYSA-N 439.510 4.939 30 10 IJEE C#CCN(CC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1(C)C)C(=O)OC(C)(C)C 1454775369 LFBKGUCYMGACSV-GOSISDBHSA-N 438.490 4.670 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(Br)cn3ccnc23)c1 1455948091 IMKBORRECHOHDA-UHFFFAOYSA-N 430.305 4.925 30 10 IJEE C#CCN(Cc1ccc(-c2ccccn2)nc1)[C@H]1CCOc2ccc(Br)cc21 1459516077 RTYZJELPOTTWDP-QFIPXVFZSA-N 434.337 4.865 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1ccc(Cl)cc1F 1465323651 QAGZLUQTGXGGFM-INIZCTEOSA-N 437.784 4.575 30 10 IJEE COc1cc2c(cc1O)CCN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2 1465369141 BTBRSKJGPZTHGL-UHFFFAOYSA-N 429.476 4.963 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 1465529024 DNUXASZCVYITQP-IRFCIJBXSA-N 434.584 4.934 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)n(-c2ccc(C#N)cc2)n1 1466519823 DJVRKLVHVWSYMO-QFIPXVFZSA-N 443.551 4.517 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)c1ccc(Br)cc1 1468452438 ZSGXVEFQJXMJFY-HNNXBMFYSA-N 449.370 4.986 30 10 IJEE Cc1nc(SCC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c(C#N)c(C)c1C 1468565275 BVBUERJJATYTKE-SAABIXHNSA-N 444.398 4.796 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C[C@]1(C)OCC 1470260742 XGGHWWAOOHAPLR-XFAFFCHDSA-N 448.563 4.544 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1471591084 PMSMAGKLMMZQPI-NFBKMPQASA-N 439.600 4.746 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](Cc3ccc(F)cc3)C2)n(Cc2ccccc2)c1C 1473172568 FMWAEDQEXAXDSK-HSZRJFAPSA-N 444.554 4.667 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 1474089834 ULCMWCZWDZNDNH-MRXNPFEDSA-N 437.740 4.622 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21 1474244019 JMWBSEYFVHYARR-YSIASYRMSA-N 447.170 4.652 30 10 IJEE C=CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1475902034 FGRXXJRLBAAKNR-UHFFFAOYSA-N 445.585 4.904 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1479507160 HTNKFGWUPHNVOI-BSWQBHCVSA-N 441.572 4.640 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)C1 1493695343 FGRPIPWERRATJX-RTBURBONSA-N 434.613 4.635 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C[C@@H](C)O1 1499696046 DMCOFBHHLYVUCR-XLIONFOSSA-N 435.597 4.860 30 10 IJEE CCN(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)c1ccsc1 1501822857 FOYARZMBEMHPTA-NZQKXSOJSA-N 426.634 4.820 30 10 IJEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1502291680 FLIVFVVKIJPKKT-QWFCFKBJSA-N 445.011 4.684 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CC(F)(F)C1 1507681673 ASBFMEBXSSWDLU-UHFFFAOYSA-N 426.467 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1507763293 TXSDVIPNLCCFLL-VHFRWLAGSA-N 444.627 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1507794800 ATHLWRSTUZFHHG-VIZSFHNOSA-N 426.580 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN(CC(C)C)C1 1507817921 RGVSXCJKBOXGGI-OAQYLSRUSA-N 425.621 4.724 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1507833965 RWFRIPKGULXUJB-MRXNPFEDSA-N 443.345 4.783 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C1CCCCC1 1507840317 ZCUKNRGJFAWCQZ-UHFFFAOYSA-N 436.398 4.787 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cc(Br)ccc2F)CC1 1507882836 NLVXIISANAJSQN-UHFFFAOYSA-N 430.325 4.574 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC[C@H](O)C2)CC1 1507900288 IRDJEDYNXKUKEJ-HKUYNNGSSA-N 430.980 4.561 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1507956072 ZUJCJBCQCOXSEU-OAQYLSRUSA-N 435.641 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1508018905 BTGYNCXDUZTSDK-URXFXBBRSA-N 448.640 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC[C@@H](C)C2)C1 1508118069 WHJPSBZYGHNMSC-FUMNGEBKSA-N 428.552 4.775 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(Br)nc(Br)c2)c1 1520541549 ZNESUACLFYSLEX-UHFFFAOYSA-N 426.108 4.814 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)C(F)(F)F)cc1 1521343403 BTNSZKGAKACSCV-SJLPKXTDSA-N 445.466 4.736 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1c(F)ccc(C(F)(F)F)c1Br 1521711230 GYVDXDRNWPOKPF-UHFFFAOYSA-N 429.167 4.934 30 10 IJEE Cc1c(C#N)c(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)n(-c2ccccc2)c1C 1525196894 GQKONAXUEOVQOY-XMMPIXPASA-N 440.547 4.975 30 10 IJEE CCn1cc(Br)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 1528015091 HMJDCTIPGBZEIA-UHFFFAOYSA-N 425.286 4.890 30 10 IJEE COc1ccc(-c2cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)no2)cc1 1529644279 GDQHHTMITBGUBF-CQSZACIVSA-N 429.398 4.923 30 10 IJEE CCc1c(C)sc(NC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1C#N 1536889158 DWFYWZOWPUBVNF-HSZRJFAPSA-N 433.577 4.966 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2CC(C)(C)C2)ccc1Cl 1537510550 XQYCEJXTFOUUML-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)cc1 1539198530 YSOYHTVGSCITAR-HXUWFJFHSA-N 448.972 4.804 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(F)c(Br)cc2C)CCCN1C(=O)OC(C)(C)C 1539228831 GWMCFXJWDZWLPY-HXUWFJFHSA-N 439.325 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CC(C)(C)N[C@H](C)c1ccccc1 1539547246 WFXYMJHKNPKWBH-FQRUVTKNSA-N 431.584 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC1CC1 1539616017 MZKYHNVHXCMAEE-LZNRXBQRSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C)ccc1OC(F)F 1539676947 ZMRZONQVWADKRM-UHFFFAOYSA-N 444.530 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(N(C)C)CCSC1 1539678344 PZWIXLXFKUBPIG-QHCPKHFHSA-N 445.702 4.719 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@](C)(CC)C1 1539729477 JDJWPYLPRGPESO-MBSDFSHPSA-N 448.995 4.670 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 1539752246 GRXFYQITCIEAFW-OAQYLSRUSA-N 441.576 4.707 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 1539779045 LUVNTOQKFKIRAY-QGZVFWFLSA-N 443.979 4.620 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1539983496 YITQIIKNIPLODR-QFIPXVFZSA-N 439.604 4.843 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1Cc1cccc(Br)n1 1540127324 TUBJJQUQEPMPLW-UHFFFAOYSA-N 438.373 4.944 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cccc(C(C)(C)O)c1 1540139648 DCYUTLSSZPJXFO-UHFFFAOYSA-N 445.592 4.870 30 10 IJEE Cc1nc(SCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c(C#N)c(C)c1C 1540501008 CGHAMOZYSBKUGS-OAQYLSRUSA-N 443.016 4.577 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC1CCN(c2ccncc2)CC1 1541109390 FZIGBVLGUOUULA-SFHVURJKSA-N 449.990 4.506 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCCC)c(OC)c1 1544133833 GLOXOZMFJCHATC-NVXWUHKLSA-N 440.968 4.697 30 10 IJEE C=CCC(C)(C)CNC(=O)c1ccccc1SCC(=O)Nc1ccc(C(=O)OC)cc1 1544422877 OOPYTOHEQSBXBK-UHFFFAOYSA-N 440.565 4.536 30 10 IJEE CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@](C)(C#N)C1)OC 1545772430 AHNIWLBRVWRDQJ-XMMPIXPASA-N 447.587 4.670 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCC1)[C@@H]1CC[C@H](C)C1 1555531408 ALQHCYBCFTZLEL-GHTZIAJQSA-N 439.629 4.744 30 10 IJEE C=CCC1(C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)CCCC1 1558902583 QPUGNKXADYDTKK-UHFFFAOYSA-N 432.517 4.710 30 10 IJEE C#CCN(Cc1cnc(OC)c2ccccc12)[C@H]1CCOc2ccc(Br)cc21 1559545268 SOGVFVQJCQOYRX-NRFANRHFSA-N 437.337 4.965 30 10 IJEE C#CCN(C(=O)Nc1ccc2nccnc2c1Br)[C@@H]1CCCc2ccccc21 1562782556 OKVCZSVRLAXGQM-LJQANCHMSA-N 435.325 4.937 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 1564553894 HQCQPDXEXNEMGG-AZGAKELHSA-N 437.559 4.639 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCCc3cc(OC)c(OC)cc32)cc1OC 1583469719 FDYKRMUEXRZMEP-JNSUZQQQSA-N 437.536 4.874 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CCC)C(C)C)c1 1584922982 JBXIKIAABRFAHN-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C[C@@H](CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)C1CCCCC1 1585534078 ICKFVXKMBQVZFI-LAUBAEHRSA-N 432.406 4.764 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc1OC 1586130096 OJYONWCFCAWGAQ-OIGOTXNWSA-N 443.584 4.782 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(F)(F)c1ccc(Br)cc1 1587182236 JAEAMYMEMIGKOC-UHFFFAOYSA-N 426.305 4.923 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](C)CC1 1587831227 KXUQEIHWVJCOKU-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCS[C@@H](C(C)C)C1 1587835541 TVEGJGXECPQHBE-GOSISDBHSA-N 433.419 4.699 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccc1F 1588098838 BQDASSLBOUTJOX-UHFFFAOYSA-N 432.568 4.730 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(C)(C)C)cs1 1588098907 CPWKWRDZXFHAQT-UHFFFAOYSA-N 429.549 4.566 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCC1CCOCC1 1588473803 VIKHYEXDCXPMEA-UHFFFAOYSA-N 436.531 4.832 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1593711797 IUFCGWVHEOBJTK-MHECFPHRSA-N 439.629 4.854 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1593711964 NJKURKANKWIHKO-GOSISDBHSA-N 442.947 4.750 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1593808374 QMZPRTDUNQFNNK-BMGDILEWSA-N 438.016 4.674 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1594491859 MQQBTCPYMLIYAD-HXUWFJFHSA-N 439.604 4.814 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1594726928 HTCIVRKEAZQRSI-UHFFFAOYSA-N 427.980 4.518 30 10 IJEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCC(C)=C(Br)C1 1594824168 ARLRTMBWXDMQPO-UHFFFAOYSA-N 445.405 4.535 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CC2)n1C[C@@H]1N(C)CCCC1(C)C 1595085253 SMSNUADJPKQCLF-QHCPKHFHSA-N 437.632 4.552 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](OC(C)C)c2ccccc2OC)C1 1595674484 QHWZENXIHLZWKB-DENIHFKCSA-N 442.604 4.532 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCCCO1 1611291743 DLRGWCRLRMOSQL-MJGOQNOKSA-N 427.618 4.973 30 10 IJEE CC(C)(Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(F)cc1 1611766953 FEBZVTRLQJFYAL-YKSBVNFPSA-N 425.552 4.767 30 10 IJEE C=CCn1c(SC[C@H](C)NC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CCCCC3 1613118767 YNUKOXZTQARJHU-AWEZNQCLSA-N 449.642 4.918 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nc2ccccc2c1=O 1613241340 ZQKIZBCBSMUEJZ-ROUUACIJSA-N 447.604 4.819 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(Cl)c1 1616350552 WXYWUTMXBZZXFS-UHFFFAOYSA-N 434.908 4.893 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)Cc1cc(OC)ccc1Br)c1ccccc1 1622507290 XZDHEBDJXRLUSA-HXUWFJFHSA-N 438.387 4.975 30 10 IJEE C=C(C)CCC(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 1622914408 UWYDJEWYLZIIKV-UHFFFAOYSA-N 426.520 4.589 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cc(Br)ccc1OCCOCC 1623289576 TZWSZGAKKSLYIE-UHFFFAOYSA-N 433.302 4.520 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)cc1 1627932782 XYUZMJCKVBHNJB-NRFANRHFSA-N 440.584 4.636 30 10 IJEE C#CCN(C(=O)c1nc2ccccc2s1)[C@@H]1CCOc2ccc(Br)cc21 1629238962 WVKNKTVJMVAQCM-MRXNPFEDSA-N 427.323 4.658 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)cc1OC 1629681630 LAAPMXJENGNZAL-NTMALXAHSA-N 447.453 4.873 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 1629858081 AEVDIMZPIRVGDL-RBBKRZOGSA-N 447.535 4.740 30 10 IJEE Cc1cc(C)c(-c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n[nH]2)cc1C 1633457025 AAWINIIDCYUABF-QGZVFWFLSA-N 447.926 4.519 30 10 IJEE C#CCN(C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818751 VFTXYKQWJVPYNV-GOSISDBHSA-N 442.453 4.577 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)cc1 1645253615 FGJNJCQJMPLWLW-JOCHJYFZSA-N 440.421 4.619 30 10 IJEE C#CCCOc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 1650872436 LSEVKTKGYGFUDQ-DEOSSOPVSA-N 437.584 4.510 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1O 1654559629 ZERCIFFHAOQMOD-UHFFFAOYSA-N 434.710 4.814 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OC)cc1Br 1657993666 SYFOELXEJPTACR-UHFFFAOYSA-N 425.120 4.844 30 10 IJEE C#CCN1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1 1658596664 KBQBINJMNDIIHI-XMMPIXPASA-N 428.580 4.514 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c1 1661951330 IZPYYIJPMNEPDB-UHFFFAOYSA-N 432.545 4.658 30 10 IJEE C=C[C@H]1CCCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1663106623 TWZHIZGZUNUVJU-KMDXXIMOSA-N 445.028 4.678 30 10 IJEE COc1cc(Br)c(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1OC 1666369949 BHVSRYDPMHJUGG-INIZCTEOSA-N 430.302 4.537 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 1668147263 NTZNRICGMCHNNA-UHFFFAOYSA-N 429.451 4.610 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@H](COCCC)Cc2cccc(Br)c2)c1 1669079616 XESYLQNJUHOKQO-FQEVSTJZSA-N 445.357 4.621 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)CCCC1 1674372600 ROZVZFMAPOMBNF-OAQYLSRUSA-N 442.604 4.912 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCC[C@@H]3[C@H](C)NC(=O)OC(C)(C)C)cc2n1 1675012943 MAYIUOKHBVMOAB-OXJNMPFZSA-N 427.549 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(CC)CC)Cc1ccc(Cl)c(Cl)c1 1681943379 IMNUVUMHAZHPRS-RXVVDRJESA-N 442.431 4.828 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 1683106413 GMVURRFQZWDLBM-DHIUTWEWSA-N 427.589 4.606 30 10 IJEE C#CCN(C(=O)NCC(C)(C)[C@@H]1CCCCO1)[C@@H]1CCOc2ccc(Br)cc21 1684376665 FUAGVYUOIUOFCD-QUCCMNQESA-N 449.389 4.513 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21)c1ccc(F)cc1 1686917307 JKSCSAMAVHUZJU-XNMGPUDCSA-N 428.507 4.546 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@@](C)(CC)O1 1690069277 KYXBOBLFXROPID-IIBYNOLFSA-N 431.378 4.515 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(C)C)C1 1690161602 KSFMVPSDEFVJPP-IBGZPJMESA-N 444.670 4.503 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1690398702 FDIXPHDFIRYRPB-JTSKRJEESA-N 444.023 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1690433150 SNEJBHDSMULQRK-UHFFFAOYSA-N 427.612 4.930 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C)CCOCC1 1690446753 FOENIMGHTBEOQZ-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2ccccc2C1)C(C)C 1690580758 FMJJJIPOAUNQEZ-DEOSSOPVSA-N 430.600 4.535 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1690599062 LFXOBOICCBTSPB-UHFFFAOYSA-N 448.571 4.790 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1690687112 YTOSEMYDUOBBFX-ZWKOTPCHSA-N 440.485 4.978 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(CC)cc2)C1 1690691729 KZRPLNAXQJZWQG-NRFANRHFSA-N 437.975 4.580 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1695237000 GPHSZFLQDLMCKT-IFMALSPDSA-N 445.615 4.744 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCCC2(F)F)cc1OC 1697332614 ASMQOWKFABBYDG-DOTOQJQBSA-N 433.503 4.526 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccncc1Cl 1705547553 ULKZKYACRQUNMB-UHFFFAOYSA-N 434.956 4.543 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC(F)(F)Br 1705620504 VWNKIRUCGBKBQW-UHFFFAOYSA-N 443.311 4.633 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705653837 QVRUENOHLFSUST-BHIYHBOVSA-N 436.547 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC[C@](C)(CC)O1 1705677656 XDGNRBSGOXRMEH-BYXVTNLJSA-N 436.600 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1705702515 NBZYKOQOVMGUIE-MYJYVVNQSA-N 429.008 4.986 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1705797855 FKZKZUXTECIEDG-OAQYLSRUSA-N 447.549 4.665 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CCCN(C)CC(F)(F)F 1705863056 GRCYOVJLPRGHHD-UHFFFAOYSA-N 441.517 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)C1CC1 1705879408 XXRPNCSSHFCXLS-HSZRJFAPSA-N 444.938 4.727 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@H](C)C1 1705880291 AWWFEQZQZJMNSP-SJBKTWHCSA-N 428.577 4.553 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)C(F)(F)F 1705882537 AUOBKHXXLREQPM-UHFFFAOYSA-N 433.478 4.721 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C)C1 1705942535 WFHNYYPGGMCQDW-MRXNPFEDSA-N 444.601 4.957 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1ccco1)N(CC)CC 1722344621 ZRIOKHBTPNFKDI-HSZRJFAPSA-N 442.567 4.547 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)c1c(C)noc1C 1722357300 XOXVXEKDAWZNFD-SFHVURJKSA-N 435.572 4.767 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC1CCCCC1 1722390347 QLRIBGQBJHGDFS-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1722403714 BJIQYHYSIQVIGH-ICSRJNTNSA-N 445.405 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(F)(F)F)n1 1722511799 MHZWXAMLHGTJCO-UHFFFAOYSA-N 436.869 4.858 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CCOC)CCCC2)CC1 1722560562 DDHLGHFXEDKKGA-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1722642720 MPRHTTPRMSJIAC-RTBURBONSA-N 432.012 4.501 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccsc2)C1 1722713370 BAIAPGNCELECGU-MRXNPFEDSA-N 445.386 4.599 30 10 IJEE CC(C)SCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1723731362 GRTMDKXTRTZMDB-SFHVURJKSA-N 428.364 4.835 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CC(C)(C)c2ccccn2)o1 1724291867 GISODLJDCNMKBB-UHFFFAOYSA-N 426.524 4.727 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCOC)Cc2ccco2)s1 1727400315 CRZJPZPOXAWSLT-UHFFFAOYSA-N 447.564 4.735 30 10 IJEE CN(CC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CCCCC1)N(C)C 1729462272 CCMDQVMDEKIFFL-DEOSSOPVSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCCN1CCC[C@H](C)C1 1740536094 ZCPFMLBWMHBMPF-PCCBWWKXSA-N 441.595 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC(F)(F)C1 1740539197 BNIDQCWWBUQOCK-NEPJUHHUSA-N 429.334 4.662 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@H]1CCCCO1 1740541631 DFEQRMIHKPPIMD-NVXWUHKLSA-N 449.368 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1740560248 FMFFPLYJOJKINK-MOPGFXCFSA-N 433.625 4.541 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740568008 RKEDWBLTCLVADY-IAGOWNOFSA-N 430.394 4.856 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@]2(CCOC2)C1 1740572861 ZNDHQHBAUCBCQB-SANMLTNESA-N 436.600 4.790 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1740592707 FKIJBQYEOUOYSH-GGAORHGYSA-N 437.607 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@H](c1ccccc1OC)N1CCCC1 1740725563 RXMCXQVWFDOGSK-UNIVCBNLSA-N 435.616 4.629 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2CCCCn2cc(Br)cn2)CC1 1740833620 USMYEZYIDCHSRD-INIZCTEOSA-N 435.414 4.633 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn2ccccc12 1740856499 UOUTZCZOHOMLFA-UHFFFAOYSA-N 425.540 4.695 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H](C)CC#N 1740860681 MMUIESHYCMBAFQ-HNNXBMFYSA-N 432.366 4.811 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCO1 1740860871 SXDMPBZGXSWLEU-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740865072 ILCRBLFNNZNYSO-IBGZPJMESA-N 428.650 4.707 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1740869144 CAGPLLYBGNCZAD-LJQANCHMSA-N 432.597 4.728 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC2(C)C)C1 1740973756 CXXCDNJXDGAHAF-SJLPKXTDSA-N 431.378 4.535 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1748702997 TUCATRPGHKZVOA-JOCHJYFZSA-N 449.643 4.690 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)COC 1748905263 AWMPRRHEHVSRNV-SFHVURJKSA-N 432.996 4.820 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CCC)CC1 1748917106 MVLSXVZLCNOCGN-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(F)(F)F)nnc1C1(c2ccccc2)CCC1 1749140626 RRDLGQMKSUFZTG-HKUYNNGSSA-N 434.506 4.728 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1749184143 IHEPNLHSPQPGRT-MRXNPFEDSA-N 431.968 4.668 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749396013 SROWCSFELBKQJE-UHFFFAOYSA-N 439.604 4.915 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nnc(C)s1 1749465121 NJDDREMIVKPQLR-HNNXBMFYSA-N 447.008 4.713 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(C)c(OC)c1 1749474169 XZDQDSJAYOGJKY-UHFFFAOYSA-N 447.402 4.951 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@@H]1CCO[C@H](C)C1)C1CC1 1749508387 PTAVGCOBVFCCFF-CEXWTWQISA-N 428.552 4.917 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C1CC1)N(C)C 1749563347 DCUJPJJFQXJMOW-HXUWFJFHSA-N 444.421 4.535 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1Cc1csc(CC)n1 1749587011 FDZZRRPGUBUMEU-UHFFFAOYSA-N 437.544 4.980 30 10 IJEE COCCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)CCC1 1749619237 FSGFZTLQQURPDP-GOSISDBHSA-N 441.551 4.504 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@@H]2CCCCO2)C1 1749701499 VBKNODYMLHSOTH-GOTSBHOMSA-N 438.616 4.983 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccsc1Br 1750813822 GXGQDKWEFZHKLE-UHFFFAOYSA-N 430.375 4.781 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CCCS1 1751257000 BEQJHGBRNRVGIV-RVHYNSKXSA-N 449.983 4.799 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCO[C@@H]1C(C)C 1760228461 GYYKBQLXTGIIER-NPPFBWRTSA-N 426.630 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1760297820 JQTBLWNUYBKESE-JOCHJYFZSA-N 444.963 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC=C(C)C1 1760316093 MGLVYZSHBLNHPD-JQVVWYNYSA-N 426.536 4.695 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cc(C)on1 1760351590 IVYIIYZAALNDIZ-INIZCTEOSA-N 441.601 4.657 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H]1CCCOC1 1760351778 LVGQQVCSEUDOIN-IBGZPJMESA-N 444.645 4.731 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1Cc1cccnc1OCC(F)(F)F 1760458649 OPKFRCQOMRDHCY-UHFFFAOYSA-N 431.462 4.514 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1ncccc1C 1760498782 DSMGWXOAPJYVRC-UHFFFAOYSA-N 444.608 4.621 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@@H](C)OC)C1 1760537968 UZZLBOWHVULEJR-APWZRJJASA-N 442.560 4.629 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1F 1760806849 AHPQIMZZOVVLNE-IFMALSPDSA-N 439.579 4.709 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)C1 1768359552 DJKYDAXLDRQTNP-RTWAWAEBSA-N 439.629 4.744 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)C1 1768360354 HRWKCNDOQRSCTL-PQNGQFLHSA-N 439.629 4.742 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=C/C=C/c3ccccc3)n2)c1 1772723687 AKMOQIIFIMCADW-BQDBMTOVSA-N 440.594 4.952 30 10 IJEE Cn1nc(C(=O)Nc2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1-c1ccc(F)cc1 1860861029 XFPMTZBEXWXJNS-UHFFFAOYSA-N 439.450 4.602 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028831 QQVFIJFZBGIMRI-SFHVURJKSA-N 425.957 4.869 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 1861341638 UBOQHYMXZGKAQN-FQEVSTJZSA-N 435.565 4.759 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)c(O)c1 1862417484 SAJDFXKUKMXEMD-LGZJRCCHSA-N 443.446 4.533 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1Br 1862565689 DJIVYNINNXYMBD-LJQANCHMSA-N 443.341 4.656 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc(Cl)c1 1862569282 JJEBRHCDECPVPY-RBZFPXEDSA-N 429.900 4.734 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c1 1862621543 SZCFTGITEFCJKY-QHCPKHFHSA-N 427.456 4.502 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862676725 PPSZKHLIPOULNA-YFZFPPMRSA-N 438.455 4.891 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862707783 DPGULHXXWHLRFD-XMMPIXPASA-N 448.563 4.846 30 10 IJEE COc1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961696 HQUDKZDQVYNFFZ-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccc(C#N)cc1 1866642847 LGJLGEDMEPRHKA-QFIPXVFZSA-N 444.535 4.686 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(C#N)cc1 1866660076 OTSZVDPSAUSVAK-OAQYLSRUSA-N 448.498 4.517 30 10 IJEE COc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866978105 AREWQAOSCGXTIN-DQEYMECFSA-N 441.531 4.803 30 10 IJEE CN1CCN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@@H]1c1ccccc1 1868350871 NUMUZLSGLDYVTI-JOCHJYFZSA-N 426.568 4.882 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(-c3ccccc3)n2)c1 1868355074 XSRSZVIMGWXMEX-HSZRJFAPSA-N 434.503 4.732 30 10 IJEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN(CC)CCc1ccncc1 1870488694 OUDHQZAPKISRNI-UHFFFAOYSA-N 431.580 4.690 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2C)c(=O)cc1CN(CCC)CCC 1870638964 BKBNUUZKBXBQEL-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE CC(C)(C)C(=O)COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871419123 FZSLSLZGGNXNKS-UWVJOHFNSA-N 428.868 4.817 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)ccc2C1=O 1871424513 LWRZTLGFSUZRTJ-SNNLMFDCSA-N 429.472 4.568 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)cc1 1871448337 PHMRDHLWUOBQSA-FMCGGJTJSA-N 449.890 4.660 30 10 IJEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)n1 1872770805 FPAGEMUMSQXQGG-INIZCTEOSA-N 438.505 4.643 30 10 IJEE C=CCNC(=O)c1ccc(Cn2c(Cc3ccc(OCC)cc3)nc3ccccc32)cc1 1873508336 JROKOVJKYJAKKT-UHFFFAOYSA-N 425.532 4.990 30 10 IJEE CCOc1c(/C=N/n2c(CCCOc3cccc(C)c3)nnc2SC)cccc1OC 1874245494 IDHRUMDZJSQMNL-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2/N=C/c2cccnc2)CC1 1874285181 SNDQKUXUEUVGQJ-WGOQTCKBSA-N 442.633 4.638 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2/N=C/c2cccc(Br)c2)cc1 1874302437 ZADKZYHVFKIGSS-FYJGNVAPSA-N 431.359 4.634 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccn2C)cc1 1874302843 TZKGYRVMPSKNGM-WGOQTCKBSA-N 449.555 4.920 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2)c1 1874493574 UEOPUGKSUHKTAO-DHRITJCHSA-N 437.544 4.915 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nncn1/N=C/c1c(Cl)cccc1Cl 1874537336 YVKCCCLQMQOSLB-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE CCCN(CCC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1874624964 FQCWZWXNVCPXCQ-KPKJPENVSA-N 443.515 4.766 30 10 IJEE C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(Oc2ccccc2)c1 1874667614 KSZFIAXPCSNLOY-RUZDIDTESA-N 439.515 4.604 30 10 IJEE N#CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)s2)CC1 1890726221 RYSOHAWHZGFUIH-UHFFFAOYSA-N 441.354 4.739 30 10 IJEE O=C(Cc1ccc(F)c(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1892183012 MXZZCCSPPWJYSF-UHFFFAOYSA-N 434.355 4.755 30 10 IJEE N#Cc1cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)ccc1F 1952789542 QBXZXTCNLIKTRX-GJZUVCINSA-N 442.446 4.536 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1999884577 URYDYPXMKOXSQZ-MBSDFSHPSA-N 431.533 4.728 30 10 IJEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2020324654 OXTFDMQQFHXFER-WZONZLPQSA-N 431.533 4.728 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1c(Cl)cccc1Cl)c1cccs1 2033813182 JWJRQEQLBVLRHE-ZDUSSCGKSA-N 438.317 4.689 30 10 IJEE CCOc1cc(C=CC(=O)c2nc3ccccc3s2)cc(Cl)c1OCC(=O)N(C)C 2040476478 ZVGVPUVJIPVOLN-UHFFFAOYSA-N 444.940 4.712 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NC 2047975622 FVCFSAQPCKNBOM-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c(NCc2occc2B2OC(C)(C)C(C)(C)O2)c1 2101327449 DJXZXLVIFLSXLC-UHFFFAOYSA-N 444.337 4.547 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(F)ccc2Br)NC)C1 2126686172 XPZIONVTROCAFN-QGZVFWFLSA-N 427.358 4.580 30 10 IJEE CC(C)(C)OC(=O)N1CCCCN(c2cc(Br)ccc2C#N)CC(F)(F)C1 2174768651 DXJXXJKCOPFKRS-UHFFFAOYSA-N 444.320 4.793 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(c3ccc(C#N)c(Br)c3)C2)C1 2174812087 HAFRXODJJGFRIY-NRFANRHFSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181054002 RRBBWKZOOJDBOO-KBPBESRZSA-N 436.350 4.590 30 10 IJEE Brc1sc(C#C[C@@H]2CCCCNC2)c(Br)c1Br 2216395072 PQYPHVOKEIUNGI-QMMMGPOBSA-N 442.014 4.777 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](C#N)c1c(F)ccc(Br)c1F 2231246568 QTUOREFRSOOPMQ-FZMZJTMJSA-N 431.277 4.708 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](N)(C#Cc2ccccc2Br)C(F)(F)CC1 2235729953 URJXVNKHDDWSBG-LJQANCHMSA-N 443.332 4.554 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 2267846337 UYLFMHUTBFSYAR-QMMMGPOBSA-N 438.215 4.802 30 10 IJEE C=CCCC1(C(=O)Nc2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2281015209 SXYWEBFMAHYCFO-UHFFFAOYSA-N 445.304 4.869 30 10 IJEE C[Si](C)(C)C#C[C@H](OCCC(=O)O)c1scc(Br)c1Br 2290672995 WMUGVQRACFXYRO-JTQLQIEISA-N 440.229 4.686 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@H](O)C#Cc1cccc(Br)c1 2296217269 SJBGROONKOEOMK-GOSISDBHSA-N 432.314 4.890 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](N)C#Cc1ccc(Br)cc1 2296290742 HDFRCWQJDHTXMN-SLFFLAALSA-N 435.406 4.657 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2296296181 LAVYSOIOMLVISC-XKGZKEIXSA-N 435.406 4.672 30 10 IJEE O=C1C(=Cc2ccccc2F)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 2296871061 FVPCVRCEDBEGCZ-UHFFFAOYSA-N 430.840 4.863 30 10 IJEE COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1OC 2296938396 JKFDOINLEPFGLP-RUZDIDTESA-N 441.483 4.886 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)C1(NC(=O)OC(C)(C)C)CCCCC1 2318890393 FYIMJEQOIIAMFM-GOTSBHOMSA-N 446.632 4.716 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1N=Cc1c(F)cccc1Cl 2321143061 QUROAYSNEQMORM-UHFFFAOYSA-N 431.924 4.609 30 10 IJEE Cc1c(OC(=O)COc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2322948908 QVEHZAFWIJNXBB-UHFFFAOYSA-N 431.400 4.504 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccccc2)cc1Br)NCc1ccco1 2323809209 LCLRUDWQOFMNRM-UHFFFAOYSA-N 440.293 4.633 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325571656 YPVRSMGWWQHWAP-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2327576077 FOYVLCUZHCWPRI-UHFFFAOYSA-N 429.977 4.961 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SCC)cc1OC 2327638449 VDZTUPHDYZPGLW-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2328577262 DZIPXIJWBGYLKN-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2329487236 DZRJXONRACDFLI-UHFFFAOYSA-N 444.560 4.957 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(F)(F)F)cc1 2331159564 MQNHQAYUPPMKTA-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1 2331193002 CWEYAVQVPBAFJD-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2331276421 UTXWODIQEWJTBG-UHFFFAOYSA-N 447.443 4.792 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(CC)cc1 2331403945 NLBGCSXWYMDRPR-UHFFFAOYSA-N 429.634 4.761 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1F 2331456463 PLNGTXWNEBMIAF-UHFFFAOYSA-N 447.178 4.961 30 10 IJEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Br)cc2)cc1 2332187567 SFVFHMLPZXLZQK-UHFFFAOYSA-N 436.313 4.677 30 10 IJEE C=CCCC1([C@@H](O)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2339204679 KGHBGNFQRAJWCX-KRWDZBQOSA-N 426.351 4.694 30 10 IJEE C[C@@H](C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2342475594 RJUVBLJEZWGSFL-SJLPKXTDSA-N 444.381 4.832 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccccc2)NCCc2ccc(Cl)cc2)n1 14157098 VJLGQIBNUKYPST-UHFFFAOYSA-N 438.988 4.744 30 10 IJEE CC[C@H](Sc1ncnc2sc(C)c(-c3ccccc3)c12)C(=O)Nc1c(C#N)cnn1C 16893723 ZJCGCXCCJZWNNK-INIZCTEOSA-N 448.577 4.781 30 10 IJEE Cc1ccccc1CSc1nnc(N/N=C/c2ccccc2OCc2ccccc2)n1N 21320877 JYHQBRPHIDNYGL-CVKSISIWSA-N 444.564 4.618 30 10 IJEE N#Cc1ccc(CSc2nc(O)cc(CC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 23243503 DFFCPURPJNPTNI-UHFFFAOYSA-N 445.331 4.834 30 10 IJEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1ccccc1OCC 59265812 LNJYDFIZLZEUKN-UHFFFAOYSA-N 437.569 4.596 30 10 IJEE CCNc1ccc(Br)cc(C(=O)/C=C\c2ccccc2Br)c1=O 97474800 SFNVXOXKZCHRAG-YFHOEESVSA-N 437.131 4.900 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccnc2)c1 170000565 BKMBDQGQIVRWOZ-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(F)cc2)cc1 170061072 SGOBNRKADOLPHC-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)c1 170066663 KENGCEXPRRCIJT-FYYLOGMGSA-N 435.520 4.576 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170096426 ZDRNIKQABQNARW-NRFANRHFSA-N 437.879 4.763 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2sccc2C)ccc1F 170107714 SGPDDWUUDQQIDC-IBGZPJMESA-N 431.529 4.897 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCCC2)c1 170119465 BQMMKYHKUDWNQI-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1OC 170122636 VTLJCXVWROGTKZ-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)c1 170131204 HITONBCINMCADM-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 170131703 PNFFZQLJNUANFO-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)c1 170163389 YVMSHXPSEPZSDS-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1cccs1 170166179 JVOWDLAOPUEWJU-FQEVSTJZSA-N 443.565 4.767 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)c1 170168109 RXUQIPHKSFABOG-IBGZPJMESA-N 440.908 4.584 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)c1 170170613 ZFHJHZCVOJVCJH-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccnc1)c1c[nH]c2ccccc12 170191367 NVHZVEUSMDTQJZ-OAQYLSRUSA-N 431.398 4.624 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 170224315 BRNOROFOFQUBGV-JOCHJYFZSA-N 428.444 4.940 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)[C@@H]3c3ccccc3)oc12 170230860 XNIKVRFZBMTZIL-JOCHJYFZSA-N 440.455 4.615 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1C 170262003 VCSXEXAENOGJRS-QHCPKHFHSA-N 435.520 4.929 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCN(C)C 170276154 IVXNIEIVVWUORB-DEOSSOPVSA-N 428.532 4.678 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC)c2)c1 170329566 YWMDPQORNSYZIL-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12)c1ccco1 170423392 UTMFKDPDZVMBTA-JOCHJYFZSA-N 430.435 4.721 30 10 IJEE CSc1nc(Nc2ccc(N3CCOCC3)cc2)c(C#N)c(-c2cccc(Cl)c2)n1 244536607 ZWEMEWPROZGHBT-UHFFFAOYSA-N 437.956 4.971 30 10 IJEE C=CCn1c(-c2ccc(OCC)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O 252673067 QWCRCBPFUPAHLZ-UHFFFAOYSA-N 446.576 4.832 30 10 IJEE O=C(O)COc1ccccc1/C=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O 254481875 QORPWBHASHWDAW-AQAUNXFGSA-N 430.485 4.959 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460781071 DSFKPAIDUHYFOH-RDPSFJRHSA-N 448.567 4.895 30 10 IJEE N#CCCCN1C(=O)CCc2cc(NC(=O)NC3(CCOCc4ccccc4)CC3)ccc21 470536815 HCVNDVKKJGLZEE-UHFFFAOYSA-N 446.551 4.531 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)nnc1-c1ccco1 482491198 QEAKXGFLSGFZDJ-IERDGZPVSA-N 440.544 4.955 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1nc(O)c2oc3ccccc3c2n1 489643925 LDNLMRVYGNDYLM-UHFFFAOYSA-N 445.504 4.730 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 521461879 OXAKFPQKGCCRNJ-VWLOTQADSA-N 446.595 4.677 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 522576404 LGMSDVBWLCFINO-SIKLNZKXSA-N 448.498 4.557 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)cc2)c1OC 526490300 LLHDQXKEPCXWCM-QHCPKHFHSA-N 426.472 4.941 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526802403 GFBATYOGMLYMRA-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1Br 526812226 JTDOKLMRCZNDJJ-NKVSQWTQSA-N 437.750 4.877 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccccc2)c1 558935684 REUONTOIUHQJIA-UHFFFAOYSA-N 429.568 4.847 30 10 IJEE C=CCc1ccc(OCC(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)c(OC)c1 574554693 OSARTEZTGBFGFB-UHFFFAOYSA-N 433.533 4.528 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(Cl)cc2)cc1OC 586209065 QNKZIDUREHAFRM-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1C 733196452 CDXJLYHIXSWTEW-QFIPXVFZSA-N 433.577 4.904 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2)s1 740506617 CPXOMWOYWOCLIO-UHFFFAOYSA-N 429.423 4.560 30 10 IJEE O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 790578596 KBLSVKQXARAXJI-NRFANRHFSA-N 446.856 4.685 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(F)cc1 916210321 AZXIOAAGEKFZGX-SFHVURJKSA-N 447.919 4.634 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1)c1ccccc1 1084041863 KYPAYDKKHITUEF-UHFFFAOYSA-N 443.532 4.805 30 10 IJEE O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 1084109877 VXLDQZLCTLWADI-UHFFFAOYSA-N 431.748 4.771 30 10 IJEE Cc1ccc2nc(COC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cc(=O)n2c1 1124888190 AFUAGELOWXXWAN-UHFFFAOYSA-N 445.862 4.677 30 10 IJEE CCCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@H]1CCCN(Cc2ccccc2)C1 1125616569 FZDKKKLUFXEXGW-VWLOTQADSA-N 441.579 4.569 30 10 IJEE C=CCSc1ccccc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 1126283291 VOCDRPLSJDGDHF-UHFFFAOYSA-N 449.542 4.665 30 10 IJEE C=C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)c1ccccc1 1131131368 KZIGTXLJZNMNCD-HSZRJFAPSA-N 427.566 4.681 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CS(=O)(=O)C(C)(C)C)c1ccc(C)c(C)c1 1136698279 BHKYTJFEDUQLBH-UHFFFAOYSA-N 429.582 4.615 30 10 IJEE C=CC[C@@H](NC(=O)c1sc(-c2ccc(C)c(C(F)(F)F)c2)nc1C)C(=O)OCC 1138147624 QEIAAFAKJINTMD-OAHLLOKOSA-N 426.460 4.683 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(-c2cccc(Br)c2)no1)C(C)C 1144203530 AAHDKBCLKNIOGB-IBGZPJMESA-N 432.362 4.533 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(-c3ccccc3)oc2C1 1148726677 ZSNQQBYQVZHWLU-GOSISDBHSA-N 430.932 4.867 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(=O)OCC 1153517440 ZZXUKXDDUWYDFX-NRFANRHFSA-N 437.927 4.820 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(-c3ccccc3OC)[nH]n2)s1 1153765405 DWIWKOGLNRIGHP-UHFFFAOYSA-N 434.974 4.876 30 10 IJEE C=CCN(CC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2)NC(=O)N1)CC1CCCCC1 1167392954 YKVUIFYENCAYLC-JOCHJYFZSA-N 445.991 4.579 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1F 1190188159 FEJIGNODXVDIRW-OAHLLOKOSA-N 426.218 4.804 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)c1 1200275520 GPOPQGPRYGOWBZ-UHFFFAOYSA-N 441.466 4.715 30 10 IJEE C#CCN(C(=O)Nc1cc(F)ccc1OC)[C@@H]1CCOc2ccc(Br)cc21 1202132622 SJCYTYLZPHBKAH-QGZVFWFLSA-N 433.277 4.588 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)c1 1205096450 AKDWZWZLUABMPR-MRXNPFEDSA-N 449.960 4.525 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCOc3ccc(OCC)cc32)s1 1269720951 ARJPSJIVOLJFOQ-MRXNPFEDSA-N 439.002 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(c2ccncc2)CC1 1286279898 YDKNIUOEWUIDDB-SQJMNOBHSA-N 442.611 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCC1CC(OC(C)(C)C)C1 1286291296 VFAWTQVZMDJYTB-LWEYNCJUSA-N 431.584 4.935 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OCCC)nc1 1286306457 VIBVRFXCZIDSSM-LJQANCHMSA-N 435.597 4.569 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@H]2CCCO2)CC1 1286335724 DTAIXHLENPFVQD-HSZRJFAPSA-N 436.600 4.673 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCC(C)CC1 1286362982 LTBYZMMKINQSAG-UHFFFAOYSA-N 428.005 4.615 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC1CC(C)(C)C1 1286424661 GFZVIOZFHDKQTL-UHFFFAOYSA-N 443.364 4.746 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H](C)N1CCCCC1 1286452886 MLEROHMCQUNJHL-IBGZPJMESA-N 446.064 4.948 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CCC1 1286603037 JWBXXZBMUUXVCT-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC=C(COC)CC1 1286603823 YVMNQNJLPGIHLM-UHFFFAOYSA-N 442.629 4.651 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC(F)(F)CC1 1286605093 RGDZFXBZNRHRRP-UHFFFAOYSA-N 441.320 4.536 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](SCC)C1 1286610201 ZWHRYEPKNXKUDO-NRFANRHFSA-N 432.609 4.713 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(CC)CCC)CC1 1286639030 VOZXJGVLELAKJW-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC(C)(C)c2ccccn2)CC1 1286649460 NXHGNECNHXISBB-UHFFFAOYSA-N 447.583 4.785 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286666042 BWTUCMGOJODAIK-HXUWFJFHSA-N 434.588 4.674 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)CC[C@H]1C 1286707958 LKTCRPBAJKRAAL-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCC1(F)F)C1CC1 1286739918 UFDLJZIMIGSEDJ-QGZVFWFLSA-N 432.515 4.846 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H]1C(=C)C 1286743193 BMANVTSHCLQZSG-VWNXMTODSA-N 429.568 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC1(SC)CCOCC1 1286747561 KIPKZGYNTMHZCU-UHFFFAOYSA-N 441.626 4.506 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)SC 1286766333 OZVOEWXPQRWPPL-INIZCTEOSA-N 434.675 4.912 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1286797974 FNSCYRJHXQXRHB-JAXLGGSGSA-N 442.629 4.853 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC(CC)(CC)C1 1300380788 IKXOQKBCTOJRLH-UHFFFAOYSA-N 439.629 4.673 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1cnn(C)c1 1300612287 XNNODCCZYAOALA-UHFFFAOYSA-N 448.571 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)OCCc2sccc21 1300917932 QBJHJDKDTDEFJS-DEOSSOPVSA-N 440.588 4.960 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(F)(F)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301167587 CIUAIWYAIQQZBA-NZQKXSOJSA-N 446.542 4.526 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)C1 1301197799 OYSSKYUJUFOWGO-MSOLQXFVSA-N 435.638 4.648 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1301272090 BKMNQROZVYHJOG-HXUWFJFHSA-N 439.604 4.674 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@H](F)C1 1301337369 FKOQTOMKFPHGCW-NJYVYQBISA-N 428.552 4.512 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@H](C)C1 1301347645 ZAEVMDLFFCMCTP-HNVPCBRESA-N 438.616 4.948 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1Cc1ccnc(C(F)(F)F)c1 1301365411 OILQSIXAWIRMOM-UHFFFAOYSA-N 437.491 4.531 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1301410318 BWOTZBDMIXRLMM-CPJSRVTESA-N 436.604 4.612 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(C2CC2)CCC1 1301414644 HSRRLDDAMDXBGT-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1301611162 HURAOLGHRGZNOY-HSZRJFAPSA-N 449.064 4.623 30 10 IJEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)C(C)C 1303295384 DGHZWXUFLJZVGR-LADGPHEKSA-N 434.632 4.952 30 10 IJEE Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c2ccccn2)cc1 1309189878 FUCFOSBREXAXEP-OAQYLSRUSA-N 445.466 4.543 30 10 IJEE CCC(CC)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCOCC1 1310212209 BFNDNSMXSKUOAA-XMMPIXPASA-N 436.556 4.609 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCCc3ccccc3)nc2)c1 1310301923 COUWBHACHOJDGW-QFIPXVFZSA-N 430.508 4.706 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](CC(=O)OC)c3ccc(C(F)(F)F)cc3)cc21 1311251121 AXVKPYSJSVEUAF-SFHVURJKSA-N 446.429 4.667 30 10 IJEE C#CCC1(NC(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)CCC1 1311450208 ARRUENTVNRNIAD-OAQYLSRUSA-N 439.650 4.815 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1CN1CCC[C@@H](C)C1)c1ccc(Cl)cc1F 1311499383 WCBBXURYRHFAQV-UZUQRXQVSA-N 427.951 4.885 30 10 IJEE CCOCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1 1314287465 GIUGDROPYKVHBS-UHFFFAOYSA-N 439.604 4.667 30 10 IJEE Cc1c(C#N)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n(-c2ccccc2)c1C 1350286749 DXILPFZDUHGKIG-QGZVFWFLSA-N 432.911 4.611 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1nn(-c2ccccc2F)cc1Br 1353008957 RRNIEDWTUVVSSG-UHFFFAOYSA-N 431.261 4.730 30 10 IJEE C#CCN(C(=O)c1ccnn1C(CC)CC)[C@@H]1CCOc2ccc(Br)cc21 1353636117 XCHODPGBDLSJRW-GOSISDBHSA-N 430.346 4.606 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(N(C)C)c1)c1ccc2c(c1)OCO2 1353965760 NPMMOTZRJKRPMQ-UHFFFAOYSA-N 430.504 4.893 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCCN1C(=O)OC(C)(C)C 1354068447 NEKAAVMQDDCSMG-QHCPKHFHSA-N 443.544 4.605 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1 1358406398 YHZCRIVREOXLNF-UHFFFAOYSA-N 438.527 4.863 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@](C)(O)C1CCCCC1 1359114056 WXLANVQUKNYAAE-WIOPSUGQSA-N 440.588 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)c1ccsc1 1359116051 VXYDVEHEJXFEAS-XMMPIXPASA-N 435.597 4.653 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@H]2CCOC2)CC1 1359127276 MSNLEOBUULOMTQ-ZEQRLZLVSA-N 438.616 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccoc1C 1359188369 MEZGDVIPWZRTDQ-UHFFFAOYSA-N 449.603 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359189769 UPADLIJZRLBFMG-ZWKOTPCHSA-N 433.641 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(c2ccccc2CO)CC1 1359190482 RAUSAQPCPRHGIL-UHFFFAOYSA-N 445.611 4.743 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359198949 GLKXIOKQJZSMRY-UYAOXDASSA-N 432.515 4.908 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1359200878 UKQSTBYQCKYHBR-NRFANRHFSA-N 434.588 4.965 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359220701 GRWNLTPXRPJBAI-UHFFFAOYSA-N 448.640 4.869 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1359230731 DBGVYUAIIMGCHN-RTBURBONSA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCC(=O)N1CCCCCC1 1359259744 GVYGNABJCVELHQ-UHFFFAOYSA-N 427.568 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(C)c(OC)c1 1359262786 FBBUGSSZIFMCOC-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)OC(C)(C)C1 1359311400 ZOOUFMKAXCKHEJ-SFHVURJKSA-N 438.597 4.547 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1OC 1360934180 YAIPMNJYVUUOMQ-KMDKVFFASA-N 440.971 4.832 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC)c1ccccc1 1439952622 SUXWGAKWOXICGT-PMERELPUSA-N 440.594 4.605 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 1445699024 ISSWLVYXIKIJEL-AABGKKOBSA-N 434.577 4.724 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 1447808564 OCVSBTZHCVFHNZ-MRXNPFEDSA-N 429.442 4.989 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1Oc1ccccc1 1448152037 BJISIYHLNNUWHI-SDHSZQHLSA-N 428.488 4.705 30 10 IJEE C=C[C@@H](C)ONC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1452741984 YSNWFWPERAYHGA-SNVBAGLBSA-N 433.352 4.635 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)cc1OC 1453281598 BKLVNIHOVSEERS-XSEIIIHRSA-N 449.547 4.741 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)C(=O)OCC 1455242076 JUFVINHONNQNOU-QGZVFWFLSA-N 431.945 4.677 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)C[C@@H]3CSCCN3C(=O)OC(C)(C)C)c2C#N)CC[C@H]1C 1460566234 DDJSPNFHWRSYLO-QLFBSQMISA-N 449.642 4.987 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1sc(NC(=O)C2CC2)cc1C 1460781531 QSLSBYWZTDKPFF-UHFFFAOYSA-N 435.343 4.985 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 1464396546 BXMHWJULLSOKMX-OAQYLSRUSA-N 443.588 4.747 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)CC(F)F 1466755763 ALLFXJAIGWRPPK-JOCHJYFZSA-N 442.506 4.974 30 10 IJEE C=C(C)CS(=O)(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1474840210 IHWAIBGUBCFFSO-GOSISDBHSA-N 445.437 4.650 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cnc(Br)c(Br)c1 1476271154 GIKAOTQOAGELQV-UHFFFAOYSA-N 439.151 4.869 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@](C)(CC)C1 1507556723 NVNVNDITRZIEOE-SANMLTNESA-N 448.567 4.926 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](OC)C(C)(C)C1 1507559122 XRSUPBWGTPBRRA-UTKZUKDTSA-N 426.630 4.796 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCO[C@H]1CCCC[C@@H]1C 1507607415 USYDKMCMMCQWIQ-PXNSSMCTSA-N 445.405 4.681 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCO[C@H]1CCCC[C@H]1C 1507607416 USYDKMCMMCQWIQ-XLIONFOSSA-N 445.405 4.681 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](OC)C(C)(C)C 1507663904 MPDKFNFXPRYSJD-LJQANCHMSA-N 433.383 4.776 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)CN1CCCCC1 1507679213 ISJWHBFIICTKQM-NFBKMPQASA-N 437.632 4.616 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCc2cccnc21 1507699854 KCWIDNXVOVDJNJ-HXUWFJFHSA-N 447.608 4.554 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C1CC(C(C)(C)C)C1 1507714844 YAQASYDLAHCQDQ-UHFFFAOYSA-N 426.630 4.962 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507815460 BBYIATOUTYXITA-HLIPFELVSA-N 430.515 4.626 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOCC2(CCC2)C1 1507827003 NYAXWHXYOKDRHB-UHFFFAOYSA-N 431.378 4.599 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC)C1 1507865683 GZGPAPDFVDHRPU-QGZVFWFLSA-N 440.979 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CO)CC1 1507910798 AYZNDMISWLIADS-UHFFFAOYSA-N 447.421 4.827 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(C)COC1 1507928873 KJNGFYICLKNAMU-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1507940200 XWETYAWIVCARKI-KXBFYZLASA-N 449.368 4.818 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1507957859 LZLSKWKJWWKVGD-HSZRJFAPSA-N 449.599 4.646 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnccc1OC 1507967804 KKWCYSDRZMEKLD-KRWDZBQOSA-N 441.963 4.762 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccc(F)cc2F)CC1 1507971045 OXBLKTACIATAMP-UHFFFAOYSA-N 448.315 4.668 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)N1CCC[C@@H](C)C1 1507973520 HIHIENUSLXUGMK-RTWAWAEBSA-N 449.599 4.860 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCCc1nccs1 1507998715 SVSVWKDQCVGLRO-UHFFFAOYSA-N 425.602 4.866 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1508159034 PVRYHFJGFOWQJD-FXAWDEMLSA-N 426.611 4.892 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1508165339 RVRKLWHGZUGHSL-OAQYLSRUSA-N 448.583 4.786 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1 1514851674 XOMXWLWPPPHMKS-UHFFFAOYSA-N 448.563 4.914 30 10 IJEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCOC1CCCCCC1 1516518458 GFSGCPKBNMURAR-UHFFFAOYSA-N 449.599 4.719 30 10 IJEE C=CCn1c(SCC(=O)OCc2ccccc2COC)nnc1-c1ccc(Cl)cc1 1520327172 QGJHUIXOUNRXDX-UHFFFAOYSA-N 443.956 4.766 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)n2)cc1 1523936760 HXTRKHGRFCLIBN-JOCHJYFZSA-N 425.517 4.670 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c(C(=O)OCC)c1C 1524508724 LBQHKXUIAVGMMH-IRXDYDNUSA-N 445.512 4.847 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nc2ccccc12 1525474235 CZXZOGFLUUYGCW-UHFFFAOYSA-N 434.543 4.977 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(-c2cccc(OC)c2)nn1)c1ccc(C(F)(F)F)cc1 1526560228 JEOWSQFUNGCHBI-LJQANCHMSA-N 430.430 4.732 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)c1 1526778339 HQWQIDWLVUIFCR-UHFFFAOYSA-N 429.705 4.841 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(C#N)ccc2OC(F)F)s1 1528062679 HISWVVKRKZOTKD-UHFFFAOYSA-N 429.901 4.950 30 10 IJEE C=CCCC1(CNC(=O)c2cc(OC)c(OC)cc2I)CCCC1 1531944899 ZRRGHBPPIQKBDF-UHFFFAOYSA-N 443.325 4.565 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)c(OC)c1 1533811102 GCUFJPZVJAIAMN-UHFFFAOYSA-N 436.596 4.704 30 10 IJEE C=CCC(C)(C)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 1534189931 NBOXPVZPPDQIOB-UHFFFAOYSA-N 445.357 4.799 30 10 IJEE C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1nc(-c2ccccc2)cs1 1537511607 CEGSSJVEYZUGSJ-ZDUSSCGKSA-N 442.338 4.700 30 10 IJEE C#CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@@H]1CCCc2ccccc21 1538323460 CBBLRBFADAZJJB-GOSISDBHSA-N 428.326 4.619 30 10 IJEE CC[C@H](C#N)N(CC)C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 1538447406 HFSROWWPHNEFMS-SNVBAGLBSA-N 429.183 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CCCCC1)N(C)C 1538985582 BLGZJXHTIDBXIZ-UTKZUKDTSA-N 444.023 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCO[C@H]1CCCC[C@H]1C 1538993236 HFYOJCLYZLNPGR-UWVAXJGDSA-N 445.405 4.761 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H](C(F)F)C1 1539109207 KVVORBSGLQFXCU-SFHVURJKSA-N 432.515 4.637 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2c3ccc(Br)cc3nn2C)cc1 1539198371 WWCFUEYCJVGJLR-UHFFFAOYSA-N 442.313 4.598 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1 1539624147 QHPKSDRYVYUMTC-IFMALSPDSA-N 433.581 4.804 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1539727949 ALCCDKHORLTVHF-KVSKMBFKSA-N 448.409 4.643 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCCCOC)CC1 1539786706 XWVXKTYPQORFCN-UHFFFAOYSA-N 443.350 4.512 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCCN2CCC(C)CC2)CC1 1539855993 PUUMHGYANINECI-UHFFFAOYSA-N 437.632 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1539929231 OZIAPKMBAYXZAJ-RBBKRZOGSA-N 438.616 4.591 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2F)CC1 1539960690 FNHAQNRFBFLCAQ-UHFFFAOYSA-N 438.526 4.610 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1539975410 VEQWUCJBXKJHSU-WOJBJXKFSA-N 448.514 4.665 30 10 IJEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCSC1(C)C)C1CC1 1540116553 WDHJANUURRTFST-QGZVFWFLSA-N 428.602 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@H]1C 1540128878 QQXREOSLQCXPCZ-KBMIEXCESA-N 447.608 4.546 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccco1 1540178126 XRAYLFQAIRIWOB-RUZDIDTESA-N 432.524 4.582 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC1(C)C 1544457690 GYGMDFURZHCBER-GOSISDBHSA-N 435.597 4.905 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCCN(c4ccccc4Cl)C3=O)c2)cc1 1544463713 BKYXELDWRKDFKO-QFIPXVFZSA-N 444.922 4.881 30 10 IJEE C=CCn1c(SCc2ncnn2CC(C)C)nc2cc(-c3ccccc3)sc2c1=O 1559344806 ZDWTZABYRRZGDF-UHFFFAOYSA-N 437.594 4.851 30 10 IJEE C=CCNC(=O)CNCc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1 1560417078 QHZVTEMEMQOXOJ-UHFFFAOYSA-N 444.156 4.940 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc1 1562235874 VLALMBMAIXSOGY-UHFFFAOYSA-N 426.929 4.701 30 10 IJEE N#Cc1nc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)ccc1Br 1584525337 CABQNJGNGFWFLD-UHFFFAOYSA-N 433.718 4.674 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2cccs2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1585016403 SVWITBYZQDEWNW-LJQANCHMSA-N 440.590 4.603 30 10 IJEE C=CCN(C(=O)c1cc(CC)nc2onc(C(C)C)c12)[C@H](Cc1ccccc1)C(=O)OCC 1585016613 XGHONYNWNZTYBA-OAQYLSRUSA-N 449.551 4.711 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1586031074 BMZBSWZFZBOVQL-HKBQPEDESA-N 440.565 4.833 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1587723288 HKAJMIHIHVHNIS-QHCPKHFHSA-N 431.584 4.751 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCc1ccccc1OC 1589547986 XHURHKOEUYGQFV-NFBKMPQASA-N 426.605 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCO1 1589615054 IXBHEPIJEQEFEH-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1NC(=O)CC1(C)C 1589615457 QLSPFAJOBQZXNH-QGZVFWFLSA-N 436.387 4.569 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1593923245 HHMMPZRSAIQCQU-IAGOWNOFSA-N 437.009 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1594472444 DYXJDGPYALPMNE-WIYYLYMNSA-N 434.592 4.538 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccs2)CC1 1594497555 JBYSKAJLGQPFCL-FQEVSTJZSA-N 429.634 4.506 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1594511267 NBSADIPYRMWQHK-OAQYLSRUSA-N 429.653 4.602 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1594819610 HMNHTOLUIYPPRX-UHFFFAOYSA-N 445.007 4.512 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCCN1CCCC[C@H]1C 1595116867 WFUBMCFRFFADHP-VWNXMTODSA-N 437.632 4.977 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595658871 LXOGSOHKFWRIRQ-HXUWFJFHSA-N 448.615 4.597 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1Nc1ccn(C)n1 1595901370 VNSVCQDEHONOAF-UHFFFAOYSA-N 426.590 4.551 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3COc3ccccc3)n[nH]2)c1C 1597026792 WCIGFLLCPVUFJH-UHFFFAOYSA-N 427.508 4.907 30 10 IJEE C=CCn1c(SCc2nccn2CC(F)F)nnc1-c1ccc(Br)cc1 1613303710 RSKHAGYGFDCYJG-UHFFFAOYSA-N 440.317 4.648 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCc3cc(Br)cc(F)c3C2)cc1 1616676459 CJQWGXNQYZVBSK-INIZCTEOSA-N 444.348 4.590 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3cc(Cl)cc(Br)c3C2)cc1 1622610425 VOACORUNNNDDID-UHFFFAOYSA-N 440.790 4.968 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)n(-c2ccc(C#N)cc2)n1 1624687429 GDNJFSUULURTNB-NRFANRHFSA-N 447.514 4.786 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 1625576457 GRTDUMAGBKEVNW-REWPJTCUSA-N 443.632 4.784 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CCCN1C(=O)OC(C)(C)C 1627605000 XZUUARHRLHDMPU-XMMPIXPASA-N 433.568 4.634 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c1 1629501066 HZPFTGRCXMBIIR-UHFFFAOYSA-N 443.446 4.820 30 10 IJEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H](F)CC1CCCCC1 1629967518 FSBDFNIBAVZQHL-WBVHZDCISA-N 429.376 4.880 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ncc(Br)cc34)cc2)nc1 1631406525 GYOVELNOMJYLSH-UHFFFAOYSA-N 434.253 4.637 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)c1ccc(Br)cc1 1636541279 BSDJZRACUAJMOF-WOJBJXKFSA-N 431.761 4.558 30 10 IJEE C#CCN(C(=O)N[C@H]1CCc2cccc3cccc1c23)C1CCN(C(=O)OC(C)(C)C)CC1 1638577418 ZJFPXULACFNPGL-QHCPKHFHSA-N 447.579 4.871 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(CC(F)F)(C(=O)OCC)CC1 1640522159 IOLJNLKYMIUZIB-UHFFFAOYSA-N 449.416 4.711 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@H]2CC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640556468 WOFLUZSMDZVAFY-HZPDHXFCSA-N 445.654 4.652 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(CC)CC(=C)C)nc2sc3c(c2c1=O)CCCCC3 1640568445 KDNTYYGLRMKYJN-MRXNPFEDSA-N 445.654 4.818 30 10 IJEE Cc1c(Cl)cc2c(c1Cl)CCCN2CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1643393594 FJVZRIAFOKPNSS-UHFFFAOYSA-N 440.334 4.751 30 10 IJEE COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(Br)c1 1643836656 DDKDZDPIRSCEKI-UHFFFAOYSA-N 435.343 4.677 30 10 IJEE C#CCN(C(=O)CCc1ccc(C(C)(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788453 USPJNOQVXYTQCV-UHFFFAOYSA-N 426.601 4.778 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1 1646334493 VAOOOWPQFWRWIU-KRWDZBQOSA-N 437.927 4.734 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 1648864274 RNHQKOBLEZDIRC-SFHVURJKSA-N 432.442 4.836 30 10 IJEE CN(Cc1c(OCc2ccccc2)ccc2ccccc12)C(=O)CNc1ccc(C#N)cn1 1652900819 GXGNHFVIUVAFKL-UHFFFAOYSA-N 436.515 4.756 30 10 IJEE C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 1659825366 FSWMLANWGUEIOX-LLVKDONJSA-N 447.276 4.721 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 1664133199 IRWFFFOIZYCLDB-NRFANRHFSA-N 426.335 4.769 30 10 IJEE C=CC[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccncc1 1667281479 GZPIFIIKQABLEV-YKSBVNFPSA-N 442.519 4.596 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1669412953 DCQQVRGDQITFAX-KRWDZBQOSA-N 425.451 4.750 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC1(c2cccc(OC)c2)CC1 1670845168 KACQNLOUBHUIKX-UHFFFAOYSA-N 431.330 4.876 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(I)cc1OC 1671721320 YLPRPOMRQWSFPL-INIZCTEOSA-N 436.293 4.609 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(F)c(Br)cc2C1)c1ccc(Cl)cc1F 1674035536 BSERKNBQROROAQ-GOSISDBHSA-N 439.687 4.823 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C 1674202111 CERABGISNYAXDL-SFHVURJKSA-N 437.540 4.887 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1674455825 ZYAYKCNHUDGKMT-DEOSSOPVSA-N 430.552 4.715 30 10 IJEE C#CCN(C(=O)Nc1cccc(OC(C)(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1675069603 MPDWMHDICMLCFN-UHFFFAOYSA-N 429.561 4.731 30 10 IJEE N#Cc1cc(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)ccc1Oc1ccccc1 1676714649 CTWVRZQRMABFTI-XMMPIXPASA-N 442.519 4.546 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cc(NC(=O)OC(C)(C)C)ccn1)c1ccc(F)c(F)c1 1681556968 OSWBQGAEVGPUHB-LJQANCHMSA-N 432.471 4.823 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 1684893696 GBHLKEWCLVBADI-SFTDATJTSA-N 445.485 4.986 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@](C)(CC)C1 1689915342 YHQYTONXFGPLCS-DEOSSOPVSA-N 435.597 4.796 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1689973739 NYKPHMVVIPIOGD-SQJMNOBHSA-N 438.616 4.810 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1OCC[C@H]1C 1690035011 YZAGIPSGUDXTGH-SJLPKXTDSA-N 438.984 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](OC)C(C)(C)C 1690065262 QWLXQALIQFJBFX-QFIPXVFZSA-N 436.556 4.638 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H]1N(C)CCCC1(C)C 1690088109 BULRUZZTCMKMKD-UGKGYDQZSA-N 425.596 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1690244358 WOVXOTWUTBTGMM-HOIFWPIMSA-N 439.510 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCC[C@@H]1C 1690260756 WRBQEQCRPQQZSQ-HRAATJIYSA-N 433.394 4.661 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@@H](C)c1nccs1 1690350908 ANFRPFLWBKTGPC-MRXNPFEDSA-N 431.993 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3ccc(F)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690439902 SFPONCIFOXJHIZ-RUZDIDTESA-N 442.579 4.623 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690451351 DRCLKWGHKZYWFW-FYYLOGMGSA-N 448.615 4.568 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1690478028 LCFZZOBMJQFNBV-HXUWFJFHSA-N 446.599 4.592 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1690500247 PLOSBANPDNILIB-CTNGQTDRSA-N 434.588 4.943 30 10 IJEE C=CCCOCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC1(C)C 1690511350 YBDMNPAJLYTJES-UHFFFAOYSA-N 449.393 4.591 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CC(F)(F)Br)C1CC1 1690549918 MXNMESRFDZXNID-UHFFFAOYSA-N 441.320 4.616 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1690595135 OSTYICMGWFCROH-HXUWFJFHSA-N 441.620 4.904 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1690692273 VMNXUODOLUEVJL-CTNGQTDRSA-N 441.526 4.814 30 10 IJEE C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N)N(C)C(=O)OC(C)(C)C 1692690130 CJHCSYFIIBHNID-CVEARBPZSA-N 446.983 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@H]1CCO[C@@H](C)C1 1705484703 UQMDDDOXARVYOO-ACRUOGEOSA-N 448.567 4.780 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC(C)(C)[C@@H]1C 1705512227 WJOBFVATEPFUHA-FQEVSTJZSA-N 448.567 4.924 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCc1nc(C(C)(C)C)cs1 1705616770 NGGQNGJSNDUUTJ-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705703315 MCNHRXYSBDWMOZ-GGAORHGYSA-N 435.547 4.875 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1Br 1705705402 HEJBCXUSFSTOCT-GHTZIAJQSA-N 445.405 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(F)c1 1705705873 MDXMOEFOCCBGCA-UGKGYDQZSA-N 426.561 4.687 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1705778044 YZOANEDHWXNXBY-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1705784597 BNGAUNSBPMMWIJ-WMZHIEFXSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)CC1 1705794904 XRLSDCXNBRBZQU-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1705797912 GMNXTPSWNMTHFG-BJKOFHAPSA-N 448.615 4.505 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1705864521 DXFQGQBAXTYNJS-MZYLBHOOSA-N 442.579 4.913 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1 1705864544 FOBRPETUKREFJD-HKUYNNGSSA-N 434.506 4.939 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1ncc(CC)s1 1705878648 WEJFJUZBFDTKDJ-NRFANRHFSA-N 437.613 4.822 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[C@@](C)(CC)O2)C1 1705918142 DEEDABXRSDDBSF-PMAPCBKXSA-N 430.980 4.728 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2sccc2C)cc1OC 1710507874 GEWATSKDXWGLAK-KRWDZBQOSA-N 439.585 4.703 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722302326 HKBCMEDCVWRFEB-SPEDKVCISA-N 445.007 4.810 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722311045 BOVXEODGNDUHGY-HXUWFJFHSA-N 435.597 4.906 30 10 IJEE C#CCCCn1c([C@H]2CCCO2)nnc1N(Cc1cccs1)Cc1ccccc1OC 1722341049 QOHZFMCGDYTEEN-JOCHJYFZSA-N 436.581 4.820 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC1 1722467033 KUAGRYVXSWFYEL-KHCICDEESA-N 442.991 4.717 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(C)C1CCCCC1 1722498863 FPFZSBOJKLFRAO-YADARESESA-N 440.588 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(Cc1cccs1)C(C)C 1722510723 WYCOQFAIRWPSCH-GIVPXCGWSA-N 430.618 4.977 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOC(F)F)CC1 1722560742 DXAYCEMFWZPJHM-UHFFFAOYSA-N 441.320 4.802 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1722578862 APQDCGUQNHXJHL-SFHVURJKSA-N 435.380 4.914 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1722594372 KLVDZJIBTWYQGO-QHCPKHFHSA-N 431.584 4.689 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 1722597550 UIACWQXGTOVLBU-DHIUTWEWSA-N 432.616 4.954 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722610899 FXVPTCULBWNOIK-UHFFFAOYSA-N 443.473 4.807 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC2(CCC2)C1 1722612161 FJIRCAKRYUFQEB-UHFFFAOYSA-N 431.378 4.742 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(OCCc2ccccc2)CC1 1722614423 MZYJUDDIXRYGNH-UHFFFAOYSA-N 431.584 4.843 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1722622382 MHAKXHZRSGMEQS-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cccc(F)c1 1722635984 WVOXVIKDKSLHEI-MRXNPFEDSA-N 426.561 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1 1722663713 GFRADXSTYCGQMM-UHFFFAOYSA-N 432.544 4.897 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCSC(C)(C)C1)C(C)C 1722665808 NZNXUYVWIHJKRO-OAQYLSRUSA-N 431.694 4.966 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 1722736134 WHQVNWHRORGHDQ-UHFFFAOYSA-N 425.371 4.612 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1)c1cccnc1 1726670089 CKOLBYXTOXIOFH-SELNLUPBSA-N 446.624 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(C)CCO[C@H]1C1CC1 1740533926 DYXVXSLMEBNUKP-BYHUZDBLSA-N 436.600 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCC[C@@H]1C 1740540417 ZKLCFQOZWFLJHB-CVEARBPZSA-N 428.005 4.755 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740573497 DONTZWJAEFZHSR-LJQANCHMSA-N 445.652 4.800 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)c1nc(C)cs1 1740654411 NCWIQKSXMLMEKN-KRWDZBQOSA-N 438.000 4.554 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccsc1 1740710870 GBLRZANEDNCOHY-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)c1ncc(C)s1 1740769358 WGNCIZZQKXNNHK-MRXNPFEDSA-N 441.601 4.933 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1740813711 GNSJYYCYNJXHFK-HNNXBMFYSA-N 442.901 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740851757 BSDMFPNUAXMRJW-MOPGFXCFSA-N 445.007 4.976 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740864724 DLZIPGWKGUMDCQ-JOCHJYFZSA-N 449.603 4.572 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CO)CC1 1740866757 MRXLCDOCLCLDGS-UHFFFAOYSA-N 439.387 4.729 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@H](OC)C1 1740882585 QSYBSMSZEJJHDT-HNAYVOBHSA-N 439.387 4.706 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1740883221 MTRDSUBUZMYVHX-CVDCTZTESA-N 433.556 4.529 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1740894911 LSBWKECRBHTYPS-WIOPSUGQSA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740921001 IQCDNBBZABQMGB-TYBLODHISA-N 442.579 4.852 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1740927052 QFWZFTPUGZJBLK-YPAWHYETSA-N 429.653 4.701 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](SC)C2)cc1 1740967226 AAZGSPATVSRMPU-HSZRJFAPSA-N 449.624 4.599 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CC(C)(C)OC(C)(C)C1 1740968772 FXIVMDDXQJYBIY-UHFFFAOYSA-N 447.583 4.655 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(C)s1 1740997369 RATKBAFUJGYAIE-UHFFFAOYSA-N 429.571 4.779 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCc1cc(C(F)(F)F)ccn1 1747730269 HSOITFGTIJTDHI-UHFFFAOYSA-N 440.473 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-c2ccsc2)nc1 1748677959 ODZRZRWJVZQNHM-SFHVURJKSA-N 443.576 4.507 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1748723853 AXVDGAKHWRBQEG-JOCHJYFZSA-N 426.630 4.855 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCc1nccs1 1748762620 NJKUWYDXBCDEIG-UHFFFAOYSA-N 432.018 4.773 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1748869068 SIHULQZSIJNITF-NBGIEHNGSA-N 438.019 4.572 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(OC)nc1 1748917665 HYAVVXRFBHNXTJ-UHFFFAOYSA-N 447.539 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)ccc1F 1749079968 DGCLDBDDWDTPEJ-DRMXPCRNSA-N 428.527 4.515 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCSC)CC1 1749334352 IMDWQUPDQDJDEH-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOCC1 1749357320 MHNVEMLKMFFGEJ-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 1749383416 WRZVBWADDAHAIE-OAQYLSRUSA-N 434.540 4.596 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@](C)(OC)C1 1749415422 PMSRQOQOEIMATO-OAQYLSRUSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749442138 NPMBHLCJKZDIOJ-KRWDZBQOSA-N 429.977 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC(F)(F)C1 1749552970 MGWBALXBDFCRPJ-GOSISDBHSA-N 429.540 4.953 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC(C)CC1 1749554342 RKBNUJBPJCDIHS-QFIPXVFZSA-N 443.661 4.896 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCC([C@@H]3CCCO3)CC2)nnc1C(C)(C)C)C(C)C 1749556739 ADCPFHSOWBIDRS-GOTSBHOMSA-N 443.680 4.670 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(CC)s1 1749561214 JFOLGHGDMGOJDW-UHFFFAOYSA-N 446.418 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc2c(n1)CCCC2 1749582190 DHDQFJOKGAPETK-UHFFFAOYSA-N 429.568 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccccc1)N(CC)CC 1760292931 LADGSERIORGMJY-RPLLCQBOSA-N 442.611 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H](c1ccco1)N(CC)CC 1760295269 BIHCIUJKMCXHBI-WNCULLNHSA-N 445.611 4.846 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC(C)(C)C 1760303867 APSDCVUNFYTDMF-UHFFFAOYSA-N 437.382 4.743 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(C)(C)OC[C@@H]1C 1760319048 QJGBQXGZTXYMJF-RZQQEMMASA-N 448.970 4.723 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1760344023 QKKLHBGMMIQPMM-UHFFFAOYSA-N 425.577 4.747 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)[C@H](C)CC)CC1 1760386039 IINDYBOKFKFHFL-IERDGZPVSA-N 433.394 4.661 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760386676 GFFHBAMPMNUMOL-KSSFIOAISA-N 439.412 4.980 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCN(CC)C2)CC1 1760397643 YVDBRDQNWYLFQL-GMAHTHKFSA-N 437.632 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760413250 BZLJXEWQGGQMOB-NRFANRHFSA-N 439.623 4.923 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1760433325 RPTICXKBQKNYHR-QZTJIDSGSA-N 446.979 4.654 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc(OC)cc1 1760468307 ORVMZOQXELMQDZ-NHCUHLMSSA-N 426.605 4.805 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCOC[C@@H]1C 1761077745 HDWJFICXNKHIQV-GMAHTHKFSA-N 448.615 4.720 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C 1765025828 FSJIQRCMAXMATJ-UIFIKXQLSA-N 434.613 4.806 30 10 IJEE CCCCN(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1765737499 BPWPUWQHUKVEIC-GOSISDBHSA-N 440.661 4.603 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=Nc1cccc(C(=O)O)c1 1772734349 FALLCUBNJJTADW-JTKXPSIUSA-N 438.505 4.582 30 10 IJEE O=C1/C(=C\c2cccnc2)SC(=NN=Cc2cc(Cl)ccc2O)N1Cc1ccco1 1772758623 AAALHUHLYKDBTJ-CETAFJQOSA-N 438.896 4.540 30 10 IJEE O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)ON1C(=O)c2ccccc2C1=O 1772791828 ZEHZAEAYHJBEKI-UHFFFAOYSA-N 434.517 4.934 30 10 IJEE O=C(/C=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(I)cc1 1860726442 QVDRIIXLGXKKEX-KRXBUXKQSA-N 446.071 4.819 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)CCc1ccc(Cl)cc1 1861109193 OGAASZUIWSYYBU-FQEVSTJZSA-N 427.054 4.987 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861191051 HQOXKZXXWSSTBW-ISKFKSNPSA-N 447.639 4.799 30 10 IJEE C=CCNC(=O)[C@H](CCC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 1861436535 CXMAHKLWJULRJL-NRFANRHFSA-N 432.568 4.728 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862414643 FHZRCAJHDLOOEW-QFIPXVFZSA-N 445.425 4.620 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862417708 YCLROAPMNZUVNQ-IBGZPJMESA-N 429.806 4.990 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862451513 HQVHZQIBBCPFLP-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2Cl)ccc1F 1862503402 WWJOFAVMVBVFCQ-FQEVSTJZSA-N 431.891 4.791 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862557044 IMYBNDNOZGGHIZ-QMHKHESXSA-N 428.488 4.617 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc(Br)ccc1F 1862601846 OJIJPZYSQHOQBW-ADLMAVQZSA-N 448.288 4.671 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2C)cc1F 1862638788 KHXYOOGABHUHDB-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC)c1 1862669144 PFASVWMAJLAVQQ-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(OC)c(O)c(OC)c1 1862670228 OQVFWFOLYLWWFL-NRFANRHFSA-N 439.508 4.521 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 1862672986 JHBGNGAZOKIZQC-JOCHJYFZSA-N 442.506 4.665 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)cc1 1862673664 GKHYPEBVTPZWCI-HSZRJFAPSA-N 438.543 4.834 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862686813 DEAQBGSMAKBZNX-HJPURHCSSA-N 429.472 4.740 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OC)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863362972 FZCMAXIIVVKMNB-UHFFFAOYSA-N 440.499 4.652 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3)C2=O)cc1 1863363019 IQWINZMIQRTGQC-UHFFFAOYSA-N 437.499 4.738 30 10 IJEE COc1cc(Cl)c(C)c2c(=O)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)[nH]c12 1866556584 VFZURKQNDRFDSL-UHFFFAOYSA-N 427.913 4.563 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1 1868788779 PQUQTDPPILMAHL-NRFANRHFSA-N 431.536 4.902 30 10 IJEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870809803 WURYUDDKBPMRFS-UHFFFAOYSA-N 432.520 4.777 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871387306 NXMXRVLCPAMJCW-FMCGGJTJSA-N 444.439 4.958 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871441720 KLUNEUPPKUWERR-JJFYIABZSA-N 433.435 4.776 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871866289 FLQKHZSMLAPFQK-QHCPKHFHSA-N 438.524 4.691 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871949428 PKFUQKXKCSIUJW-GOSISDBHSA-N 445.343 4.727 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872412278 HZNAPCZQYGIVGA-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)c1 1872773200 YCGGBACLGFCWSY-HXUWFJFHSA-N 443.528 4.680 30 10 IJEE CCCN(CCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)c(CC)s1 1872799240 FQDNVDXAEQALBH-QGZVFWFLSA-N 429.586 4.688 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCCCC)=C(c2cc(F)c(F)cc2F)C1=O 1873239240 GZQYXIXZBJKJJW-UHFFFAOYSA-N 430.426 4.661 30 10 IJEE C=CCN(CC=C)c1nc(Nc2cc(C)c(Br)cc2C)c2cnn(C)c2n1 1873490552 GYPQWINETNIECH-UHFFFAOYSA-N 427.350 4.665 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCCCN(CC)CC)ncnc21 1873626383 XGMLFEQUGLXZBE-UHFFFAOYSA-N 434.588 4.630 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cc2ccc(OC)cc2[nH]1 1873892135 TXSNTRPTSWCWJG-IBGZPJMESA-N 433.618 4.505 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(O)c1 1874214175 ZMSYBNYAHMDAHX-OEAKJJBVSA-N 444.944 4.515 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccncc2)cc1 1874292994 KYPZWPKWWNIDPT-CVKSISIWSA-N 445.548 4.744 30 10 IJEE Oc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCCc2ccccc2)c1 1874355420 XZTYUIDBAYKJBD-YZSQISJMSA-N 444.560 4.918 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874400208 LISNBXPZGDMOGR-DSKMXOTJSA-N 448.470 4.596 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 1874446246 WQTGRUGSLVYVJD-KCDOPAPYSA-N 442.928 4.656 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1 1874483251 LXCKSXRVICTPIV-ZMOGYAJESA-N 426.517 4.676 30 10 IJEE CCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1c(OC)ccc2ccccc12 1874510479 PVDHJIAOGRFQOL-ZMOGYAJESA-N 440.569 4.566 30 10 IJEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)cc2OC)c1 1874598720 ASYAGHSDDJSMAW-JLHYYAGUSA-N 425.525 4.627 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 1875084898 GGZTUBRFRXXDNS-XYOKQWHBSA-N 433.416 4.727 30 10 IJEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)ccc1F 1875141824 XLIWLWZJIVIJOU-BFSLETRISA-N 433.273 4.877 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3Cl)C2)OC1(C)C 1965480091 IRJCAEXNJCLYET-CQSZACIVSA-N 442.590 4.730 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1976251495 NGFYAYORFLUMKM-ZDUSSCGKSA-N 445.151 4.701 30 10 IJEE CCNC(=O)COc1ccc(C=C2CCc3nc(-c4ccccc4)sc3C2=O)cc1OC 2041179952 SGILZCAJLLWBPE-UHFFFAOYSA-N 448.544 4.546 30 10 IJEE Cc1ccc(NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c(C#N)c1 2067210149 LVABRSYHDVSUHA-UHFFFAOYSA-N 434.584 4.838 30 10 IJEE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)C)c(C=NO)c1I 2079959053 YJMZGCQXWNXWAB-HNNXBMFYSA-N 441.313 4.741 30 10 IJEE COc1c2c(nc3c(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)(F)F)nn13)CSC2 2081442402 CSFAQVPPERHNRK-UHFFFAOYSA-N 441.303 4.866 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)nc(C(C)C)n1 2137398188 YIUQWQPFOCJRAJ-LJQANCHMSA-N 428.371 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2cc(Br)cnc2C#N)C1 2167615784 YFVFOHNQJAREFG-PXNSSMCTSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(Br)cc2C#N)CC[C@@H]1C(F)(F)F 2174812645 NGEISKFIVWXUBS-UONOGXRCSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C(C)(C)C1 2180865288 KVAZHBHQGPVWHH-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE C=C(c1ccccc1)[C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2197140124 PVNLCJYBEQXDQI-WOJBJXKFSA-N 431.374 4.926 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNc1cc(Br)c(Br)cc1N 2210493328 STPUSLLBLWNIDJ-UHFFFAOYSA-N 449.187 4.677 30 10 IJEE O=C(C#Cc1ccccc1Br)CCCCCNC(=O)OCc1ccccc1 2215002127 XABCAQWAYNJQLW-UHFFFAOYSA-N 428.326 4.857 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccccc1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2232308473 ZRKCTGBMLRJVMC-INIZCTEOSA-N 440.349 4.759 30 10 IJEE COc1ccc(C#C[C@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2237747654 NYWYTJJJKFXVFD-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(O)c2)OC1(C)C 2241483758 YZAHFCHCIKOZGL-UHFFFAOYSA-N 443.352 4.534 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1 2249563420 MPIQKZUCPOYGAG-MRSFGVLCSA-N 427.545 4.886 30 10 IJEE O=C(C#Cc1ccccc1Cl)c1ccc(Br)cc1I 2277778429 WERZJSRRQMYFRY-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@H]1C(=O)C#Cc1cccc(Br)c1 2278737633 MOWCSSKBOWQCFJ-QGZVFWFLSA-N 438.387 4.501 30 10 IJEE CC1(C)OB(c2cc(NCc3cc(Br)ccc3Cl)ccc2N)OC1(C)C 2283019200 MPSRWTPBXOSXFL-UHFFFAOYSA-N 437.574 4.596 30 10 IJEE C[C@@H](c1cc(Br)cs1)N(C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2283025170 NAJJXGMOXKSROB-LBPRGKRZSA-N 437.212 4.589 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2296293872 OAFMZMPQWRNJAS-XMSQKQJNSA-N 433.390 4.616 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CCC1 2296298637 MDNZFXZYVGGDLC-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296301832 ZRTVLSJQFZJWOQ-UXHICEINSA-N 435.406 4.958 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)c1 2296557902 YCZYTDVJXHBUDS-QHCPKHFHSA-N 428.488 4.840 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1C 2297741383 FBJALLSSFPCMJB-JOCHJYFZSA-N 448.906 4.674 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NC2(CCOCc3ccccc3)CC2)OC1(C)C 2301387586 MQIAIZFLDVRKOE-UHFFFAOYSA-N 428.769 4.586 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1nccs1 2314490056 XNSTVKVEJCDHLA-UHFFFAOYSA-N 437.502 4.891 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317305653 FORKSMNSSCSNBM-QZTJIDSGSA-N 429.370 4.584 30 10 IJEE CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353205 FTZOPOLGQBBILJ-WMZOPIPTSA-N 432.370 4.797 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)c1 2322667590 GGQYSBOEOALVKW-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1ccccc1 2323098012 UNJGRALXJZQIBQ-UHFFFAOYSA-N 432.432 4.517 30 10 IJEE CCCOc1c(OC)ccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1Br 2323178305 LLQMKJYZJQITES-UHFFFAOYSA-N 433.298 4.914 30 10 IJEE O=C(Oc1ccc(C=NNc2nc(O)cc(-c3ccccc3)n2)cc1)c1ccc(F)cc1 2323259739 ZDMBDDZPSQXEDB-UHFFFAOYSA-N 428.423 4.654 30 10 IJEE CCCOc1c(Cl)cc(C=NNc2nnc(-c3ccccc3)c(O)n2)cc1OCC 2323283916 GRAKXZRQUPDNKR-UHFFFAOYSA-N 427.892 4.531 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1OC 2323439468 MRQDHNLMZPIRAP-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE O=C(C=Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 2325571513 MXOYEODPPRNOBE-UHFFFAOYSA-N 443.175 4.597 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325744956 SUHZDHUFTIVFGU-UHFFFAOYSA-N 448.446 4.751 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(OC)c(OC)cc1OC 2326442556 ZPOCPSGLJIKZBT-UHFFFAOYSA-N 440.569 4.658 30 10 IJEE CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc(Br)c1 2326958126 DHSMQVYAAGOQCO-UHFFFAOYSA-N 445.386 4.965 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2328814017 WZNHOUIACSFZPC-UHFFFAOYSA-N 439.302 4.677 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccc[nH]2)o1 2330268144 GDXQEZYUMAEQMK-UHFFFAOYSA-N 441.557 4.673 30 10 IJEE CC(C)(C)Cc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccc1 2330865768 CUKPYALSDYGYKL-UHFFFAOYSA-N 432.553 4.690 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)c1OC 2331122784 JROVEXDAUDBEAD-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)c1 2331382743 CHNFHXWIJBNACM-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cnccn1 2331555045 MMPPXOMOHXONPE-UHFFFAOYSA-N 430.794 4.532 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(OC)c2)cc1Cl 2331703487 OAFPFEXORFDKKW-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CC(C)(C)OC(=O)N1CC2CC1(CNc1ccc(C=CB3OC(C)(C)C(C)(C)O3)cn1)C2 2339579639 YTKCZSLHXDRIHH-UHFFFAOYSA-N 441.381 4.538 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587688 YBGTVLCBDIHCQA-RBUKOAKNSA-N 444.381 4.893 30 10 IJEE N#Cc1cc(F)ccc1OCc1cc(I)ccc1Br 2341776659 QESNNXMEYUPNOU-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(Br)cn1 2362114078 XFXNTDNZCIEUAH-INIZCTEOSA-N 436.281 4.998 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CCN(Cc4ccccc4)C4(CCC4)C3)nc2)OC1(C)C 2365058648 DPXNYKWRLHWELM-UHFFFAOYSA-N 445.416 4.971 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCN[C@@H]1C(F)(F)F 2370258130 OCQTUEGALHHCPD-YOEHRIQHSA-N 448.283 4.767 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CCC3)cc1 9861156 MYSZJPWMZSMNQU-VWLOTQADSA-N 444.579 4.843 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2ccccc2C)c1C 32973165 JNKIKZNVNRNONO-UHFFFAOYSA-N 437.975 4.922 30 10 IJEE COC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)S/C(=C/c2ccc(N(C)C)cc2)C1=O 36257481 LMLYFPNOMFAPBR-SFQUDFHCSA-N 448.466 4.925 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2cccc(OCC)c2O)C1=O 36258495 GNGXWBPNWWXHIS-SFQUDFHCSA-N 445.924 4.988 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCN(Cc3ccccc3)CC2)C1=O 41584905 VQJJBKZTIVATGB-ONUIUJJFSA-N 440.543 4.635 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C 62887639 KDTZWSNUDJWMEK-UHFFFAOYSA-N 443.507 4.555 30 10 IJEE CC(C)c1ccccc1/N=C1/SCCCN1C(=O)c1ccc(N2C(=O)CCC2=O)cc1 96545236 OJBRUFUNRBOHRY-OCOZRVBESA-N 435.549 4.730 30 10 IJEE COc1cccc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)c1OCc1ccccc1Cl 169936642 LMANCUIXHAGKIE-HXUWFJFHSA-N 430.957 4.652 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)cc2)cc1 169957625 HRQSFPWAPUGGIL-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccs2)cc1 169988461 OHPXWWYRGMWKPZ-NRFANRHFSA-N 435.501 4.544 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)c1 170024527 GNIUDTBPTQXBQP-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 170054495 WRRMHFMVGGYREZ-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Cl)cc2)cc1 170060314 RNWUELLSXHGZCL-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(C)o2)cc1 170099875 FTAJVGLVHCSFMI-QHCPKHFHSA-N 430.504 4.999 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 170130947 OUOCQWUANAOHPC-HSZRJFAPSA-N 431.488 4.549 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)cc1 170131344 SIQVQBNCEGTAEN-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)cc1 170138436 OGWPMJOTICLEBY-HSZRJFAPSA-N 435.520 4.948 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2C)c1 170142816 NZYBLEWIDALWKK-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)c1 170175792 DIPUEGWARJGNGT-HSZRJFAPSA-N 439.471 4.523 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)c1 170200829 WUXSANBNMAMSLM-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 170233936 MSUJXZPUHLBJGH-LJQANCHMSA-N 426.310 4.970 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1F 170251292 BYJVKQUMKPESOY-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1cn(C)c2ccccc12 170269329 WQLMRMUJRXZFAI-QHCPKHFHSA-N 448.519 4.574 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1C 170277698 XCZRLJNKLLDOSD-QHCPKHFHSA-N 432.520 4.661 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1cccc(F)c1 170313665 KYTZOTKNRGZWBH-IBGZPJMESA-N 437.448 4.707 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1sccc1C 170319233 ZGCROCDEHXCYQG-IBGZPJMESA-N 427.522 4.596 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(F)cc1)c1ccncc1 170376154 DZIZEZQRBYKZLI-HSZRJFAPSA-N 443.478 4.604 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cn(C)c3ccccc23)cc1C 170395411 LONDAVLYUJERDE-XMMPIXPASA-N 437.499 4.973 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OC)cc2)cc1 170410249 AVLQSXAUOVUHTM-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE COc1ccc(C=NOC(=O)COc2cc(C)cc(C)c2)cc1COc1ccc(F)cc1 263632324 CYUKMZVHNYJPCH-UHFFFAOYSA-N 437.467 4.986 30 10 IJEE C=CCSc1ccccc1NC(=O)CN[C@@H]1CCOc2c(Br)cccc21 501562579 SWISVNDBXFYISO-MRXNPFEDSA-N 433.371 4.779 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@]2(C1)OCc1ccccc12 508843036 ASSPOQCPGWACCJ-JOCHJYFZSA-N 426.442 4.786 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)c(Cl)c2)cc1 526515869 MNNGHPMURYBZDJ-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526825998 PZWFCAXNWRALLS-CFRMEGHHSA-N 444.532 4.570 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)OC)c1c(F)cccc1Cl 544077245 PGAUARUKXJKMKS-LJQANCHMSA-N 431.920 4.854 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C 589978585 GXPIJZFUGRNCIX-FQEVSTJZSA-N 431.001 4.916 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1CN(C)Cc1ccco1 610200425 UFIRFUDVZVKGRK-RUZDIDTESA-N 431.536 4.503 30 10 IJEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc(C(F)(F)F)nc1O 731562819 HDOYZXSQJMHCMF-VURMDHGXSA-N 436.393 4.950 30 10 IJEE Cc1cc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1N1C(=O)CCC1=O 740453491 DNBFLVHMELATMP-UHFFFAOYSA-N 444.516 4.570 30 10 IJEE C[C@H](NCc1cc(Cl)ccc1OCC#N)c1cc2c(cc1Br)OCCO2 775182757 BIAKWKGKPBECFC-LBPRGKRZSA-N 437.721 4.627 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CCC(CCc3ccc(OC)cc3)CC2)c1=S 813077389 WXJRQXKQEYVOCT-UHFFFAOYSA-N 449.624 4.973 30 10 IJEE C=CCn1c(=S)n(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c2ccccc21 921054093 BCKAAVWYTRPKER-UHFFFAOYSA-N 432.593 4.617 30 10 IJEE CCOc1ccc(N=C2S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2CC)cc1 1084615463 MNZIBLXGBZNZMT-GOSISDBHSA-N 431.945 4.719 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 1124624309 NHWQPLBYEZGYCJ-UHFFFAOYSA-N 432.524 4.887 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc(OC)c1OC 1136460389 AVNUSJGMPNORDY-SFHVURJKSA-N 432.520 4.897 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[S@](=O)c1ccc(Cl)cc1 1136589305 GOQYZSOATCLKJE-PMERELPUSA-N 438.936 4.845 30 10 IJEE C#C[C@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(Br)cc1 1141461042 MUHYMJVNBDWILZ-AWEZNQCLSA-N 432.115 4.797 30 10 IJEE CC(=O)N(c1nc(Cn2nnc(-c3ccccc3)c2C#N)cs1)c1ccc(C)cc1C 1166912252 FDHOLZBVHVIVNT-UHFFFAOYSA-N 428.521 4.623 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(C)c(Br)c2C1 1167775680 QNKLJRLLMZLWLE-OAHLLOKOSA-N 443.769 4.636 30 10 IJEE CC#CCSc1nnc(COc2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 1187988033 ZOQXHWVZWAGWJA-UHFFFAOYSA-N 433.455 4.989 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C(C)C 1211223082 QAYDKDPIKSJGGL-NHCUHLMSSA-N 440.415 4.775 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)C1 1219064847 HAGAYAUUACSASD-CQSZACIVSA-N 435.753 4.615 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C(C)C 1221031552 FFEYNDWNAGBXET-RBBKRZOGSA-N 433.552 4.664 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)cc1 1251292030 ZBKPPKXHSVNFEB-SANMLTNESA-N 447.623 4.573 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(N(C)Cc2ccccc2)CCOCC1 1255153175 COXYLICJQVPYQH-UHFFFAOYSA-N 448.032 4.780 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(I)ccc2F)c1 1264919068 HNYFTKSVUTYBOJ-UHFFFAOYSA-N 445.231 4.852 30 10 IJEE Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)c(C#N)n2)c1 1276961627 BVXNSENOZNEPNI-UHFFFAOYSA-N 435.281 4.529 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccnc(SCC)c1 1286302466 TZUKGIKZUKPTBM-MRXNPFEDSA-N 441.988 4.524 30 10 IJEE C#CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)Cc1cnn(C)c1C 1286344478 QBIQZQGPMBAXNL-UHFFFAOYSA-N 448.571 4.904 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 1286498901 FJGFDMRLXVSGBX-LJQANCHMSA-N 442.629 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)c1ccsc1 1286516168 XTMCEKMZZROZIT-FGZHOGPDSA-N 426.973 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@H](c1ccco1)N(CC)CC 1286525067 RQFJVMFSINMDPJ-ATIYNZHBSA-N 449.574 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1286558383 OKHXFLMPWNQDST-LEEZEASISA-N 426.605 4.621 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC(C)C)C1CCCC1 1286565785 PUZKYSDXUKMFFE-XUZZJYLKSA-N 440.636 4.526 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCN1CC)C1CC1 1286739167 RGXFWSHLCULDHW-LJQANCHMSA-N 432.037 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCCN1CCCC[C@H]1C 1286747266 GOJPSOSYADPBFG-HXUWFJFHSA-N 436.629 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCCCC1 1286749036 ILPTXXBSIQKTRA-IRLDBZIGSA-N 443.661 4.896 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1CC 1286760497 NOUQFAXQFLCYEN-XZOQPEGZSA-N 435.616 4.576 30 10 IJEE Cc1nc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)sc1C 1289151115 BMASCTFDACEVMA-CYBMUJFWSA-N 447.033 4.941 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(CC)s1 1300273710 GYHLFKZHBJYQMT-MSOLQXFVSA-N 438.597 4.947 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSCC(F)(F)F 1300283770 OUFPBOUYSOXIJK-UONOGXRCSA-N 442.576 4.885 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCCC1(C)C 1300284648 UPONCBYVXKSHAK-KCYKTTMJSA-N 426.630 4.531 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CC12CCOCC2 1300323248 YFGJRTONHVADKC-SFTDATJTSA-N 436.600 4.564 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1300371142 NRBRCWVHCJXYBF-DEOSSOPVSA-N 430.600 4.522 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)C[C@H]1CCCO1 1300742326 FCXOLQYINIRPQD-OAQYLSRUSA-N 426.630 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOCC(F)F 1300789266 DKVIVWNSQSSORF-WAIKUNEKSA-N 448.583 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCO[C@@H]1CCCC[C@H]1C 1300809254 VQNYSKZRNLUYNO-YBGOQADZSA-N 442.554 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCCC[C@H](SC)C1 1300877930 YIJYACZAGJYJSE-ONTIZHBOSA-N 426.630 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCn2ccnc2C1 1300905848 FVEAAJUYVPESGQ-MRXNPFEDSA-N 428.943 4.599 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)N2CCCCC2)CC1 1301127551 OYIFFSLXPFPFPC-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301223133 NISJFYPVBFZXHP-IBGZPJMESA-N 433.641 4.916 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1301244992 CFQBXCGKUQTOSN-RTWAWAEBSA-N 440.588 4.714 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN(CC(C)C)C1)C1CC1 1301329944 GYKJKDGNPGUEJE-IBGZPJMESA-N 443.586 4.670 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1cnccc1OC 1301337806 MHWFBHTYASYREC-UHFFFAOYSA-N 435.572 4.520 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCO[C@@H]1C(C)C 1301363309 QSIQUJYFDYEWBW-KCZVDYSFSA-N 444.645 4.877 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1COC(C)(C)OC1 1301429204 KKCCRKVUHMJNDN-QGZVFWFLSA-N 448.995 4.710 30 10 IJEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(OC3CCCC3)cc2)n1 1304452665 DSFHTCNHANNNGR-GOSISDBHSA-N 430.556 4.614 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cc(Br)ccc1C#N)CC2 1307138092 JSGQQMKZZMPAJO-UHFFFAOYSA-N 434.378 4.938 30 10 IJEE C=CCC1(O)CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)CC1 1308088297 GLIQDDFKJJIDBM-KRWDZBQOSA-N 429.630 4.502 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCN(Cc3ccc(OC)cc3)CC2)cc1OC 1308656772 NPJYGCMMNGZVBA-UHFFFAOYSA-N 430.976 4.630 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c(Cl)c1 1311262715 FYCCKTOCYCUILS-FQEVSTJZSA-N 440.931 4.542 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nnc(-c4sc(-c5ccccc5)nc4C)o3)cc2C1=O 1327072263 DVAIRNQMFFNAIV-UHFFFAOYSA-N 428.473 4.618 30 10 IJEE Cc1cc(Cc2cnc(NC(=O)COc3ccc(C#N)cc3)s2)ccc1Br 1357203138 GPENWKPWGRATEP-UHFFFAOYSA-N 442.338 4.694 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CC(C)(C)c1cccs1 1359017995 ZHNLKWOPLWNHGO-UHFFFAOYSA-N 426.561 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccoc1 1359102383 AUNPRAVHYSWXDB-QPPBQGQZSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)c1cccs1 1359115701 KNJCPUWIXJWQQZ-QHCPKHFHSA-N 426.586 4.537 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2c(CC)nn(C)c2CC)CC1 1359168265 NIRCUTZOZUFTIP-UHFFFAOYSA-N 448.615 4.537 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)CC1CCOCC1)c1ccccc1 1359194474 VUZPCFMTDAUOTQ-QHCPKHFHSA-N 431.584 4.871 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359209328 KBILGIFESFSZPB-JOCHJYFZSA-N 444.004 4.742 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H](C)c1nccs1 1359260332 ATJKNGBVMFHXKU-GOSISDBHSA-N 448.571 4.856 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCc1csc(C)n1 1359260444 FBICZRIBMLCYGR-LJQANCHMSA-N 441.576 4.511 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CCC[C@H](C)C2)C1 1359317021 AKWHATAODHWREQ-XUVXKRRUSA-N 444.023 4.500 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 1436556596 GFMDGRUPIAOWHT-BVAGGSTKSA-N 439.559 4.978 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3ncsc3Nc3cccnc3)cc2)c1 1443151746 ANFZWYHNCZLTMI-UHFFFAOYSA-N 427.489 4.985 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 1448622625 WGHOAYGHAWMLBD-SHTZXODSSA-N 434.305 4.838 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 1448919360 GXIUWQHYYZLPJO-VJBWXMMDSA-N 442.600 4.786 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 1457087715 DVTYWGLMKBYXMK-ZBLYBZFDSA-N 439.559 4.778 30 10 IJEE CC[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1463248170 GFJWUJUCFDCNJM-VQTJNVASSA-N 433.371 4.668 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 1464211616 BEVMKPSHIMOIJX-LJQANCHMSA-N 436.487 4.614 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)c1 1465476622 VVYOXNCDNBEIKP-QGZVFWFLSA-N 449.942 4.656 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)cc1 1470252947 BQGCTLJQYKLRPP-QHCPKHFHSA-N 441.369 4.768 30 10 IJEE C=CCN1CC[C@H](N(C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)C1=O 1473424341 SWGSLHRYKYBNMB-VXKWHMMOSA-N 432.486 4.934 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1475835468 OVKKNQMHBDYZAO-ICSRJNTNSA-N 449.617 4.516 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1Cc1ccccc1 1475954629 HAZYMHMXLYGNNG-UHFFFAOYSA-N 441.535 4.874 30 10 IJEE C#C[C@H](NC(=O)NCCCO[C@H]1CCCc2ccccc21)c1ccc(Br)cc1 1477920341 HMXBQLFVTHDHMW-VXKWHMMOSA-N 441.369 4.907 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 1478310218 DROWFRBNGHZILH-UTKZUKDTSA-N 431.374 4.965 30 10 IJEE C=CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)[C@@H](C)COC 1478373185 PYKDWFDNLIZERU-AVRDEDQJSA-N 441.572 4.638 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1N(C)CCCC1(C)C 1503578503 ABEPTOATGSKXLQ-JOCHJYFZSA-N 448.640 4.678 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](OCC)C1 1507555175 IQHIZMBVJMJBNV-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@](C)(CC)C1 1507826782 BPBGEDKKMPEXJJ-LJQANCHMSA-N 439.785 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1507916967 ISEVIXYPMQEUIY-HXUWFJFHSA-N 425.621 4.803 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCCO1 1507960195 WNKKAEOUIBNSSS-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Br)s2)n1CCOC 1508001460 RYECXWUISBJTAV-UHFFFAOYSA-N 433.375 4.608 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCN(CC(C)C)C1 1508004670 PBFPOSOVDVWAOR-DEOSSOPVSA-N 444.627 4.901 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC1(OC)CCCC1 1508008980 SWOYAHNRZPHJHI-UHFFFAOYSA-N 435.547 4.555 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](SC)C(C)(C)C)C1 1508115835 LWEBUAIVGXWVFM-IRXDYDNUSA-N 436.025 4.553 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Sc2ccccc2)C1 1508123537 CPNBTUIQARSDAJ-QUCCMNQESA-N 440.638 4.893 30 10 IJEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCC2(C)C)CC1 1508298489 DEKAMDLYKCGKPT-UVKLAMSESA-N 448.615 4.527 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1513600422 CENCWSVYSMIMLY-FQEVSTJZSA-N 439.629 4.888 30 10 IJEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1517200517 HNNINVXVQNVTNP-QZTJIDSGSA-N 433.478 4.869 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)cc(OC)c1OC 1519359071 DCZKULVWKGTVKO-UHFFFAOYSA-N 425.916 4.510 30 10 IJEE C#CCCOc1ccc(C(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc1 1520339753 BMDLYEKMCINDFU-UHFFFAOYSA-N 439.265 4.653 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)CCCN1C(=O)OC(C)(C)C 1520560264 JTYBJLQJDUWZBM-CFLDLGCGSA-N 429.586 4.778 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccccc1Br 1526174506 BNIXXDKUOKIHFL-CYBMUJFWSA-N 425.248 4.951 30 10 IJEE C[C@@H](COc1cccc(F)c1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1526475281 ABCCQSPJGXSFKB-INIZCTEOSA-N 429.923 4.541 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1530083712 BBDRXRZGTFONMA-MRXNPFEDSA-N 425.326 4.577 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@@H]2C[C@H]3C=C[C@H]2C3)nnc1-c1ccc(Cl)cc1 1530112062 PNLVJLNYQDSUQC-RYQLBKOJSA-N 428.989 4.595 30 10 IJEE C#CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 1535588937 JMFYAQSQKXIIDA-DEOSSOPVSA-N 429.516 4.738 30 10 IJEE C=CCN(C(=O)C1(Cc2ccc(Cl)cc2)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1537317593 XTLXIWXJSQQZDL-JOCHJYFZSA-N 425.956 4.852 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)CCCC1 1538895893 IVIWHZSQFHWWJK-UHFFFAOYSA-N 437.584 4.851 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539094686 SQRVZFXIEQCHHV-UNMCSNQZSA-N 446.599 4.696 30 10 IJEE C=CCOc1ccc(OC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 1539135381 IQHIOFQDEZENFS-UHFFFAOYSA-N 429.398 4.948 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@H](OC)C(CC)CC 1539159314 ULQVDLWJGUSMNT-HNNXBMFYSA-N 439.423 4.680 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@H]2c2ccc3c(c2)OCO3)nnc1C(C)(C)C 1539609511 PVSIJFMAUOSCPO-OAHLLOKOSA-N 433.350 4.554 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC(C)C 1539625002 XUHOSECCQVHLQO-NZQKXSOJSA-N 442.604 4.814 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1539693343 HAAJEEOSXSQKOV-FCHUYYIVSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(CC)cc1)OCC 1539702965 SUEHPTFDBQXHQM-FCHUYYIVSA-N 430.589 4.741 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1539744356 JJFGDKVDHKXXCT-JOCHJYFZSA-N 445.007 4.742 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1539821644 RIZSMSLYXMBOSQ-MRXNPFEDSA-N 447.967 4.898 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(C)CCC2)c1 1539860385 RUAQNPBTNHUHOL-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@](C)(O)C2CC2)CC1 1539881974 AWRUCDUOSPBTPK-AREMUKBSSA-N 438.616 4.933 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H](C)C1CCC1)c1ccccc1 1539932200 YBEJTYSPBHEUMR-OFNKIYASSA-N 435.616 4.889 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(F)cc2)CC1 1539954818 FLTIPIZXTJJXDZ-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1540910201 AFXGBTPRWMHANT-LAUBAEHRSA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1540911869 FIPHMXZTBBSTIG-ROUUACIJSA-N 430.618 4.754 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C1CCCCC1)N(C)C 1541806228 GZPZSDYEHGMSGV-HYBUGGRVSA-N 447.631 4.530 30 10 IJEE C[C@H]1CCc2[nH]nc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4C(F)(F)F)s3)c2C1 1543189621 AWLVUKMZAXVCCE-NSHDSACASA-N 445.470 4.725 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1543531446 GYIZBRANEBAVQH-UHFFFAOYSA-N 446.816 4.930 30 10 IJEE C=CCc1ccc(OCC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(OC)c1 1543789767 IFPZNWTVIMYRGS-FQEVSTJZSA-N 446.950 4.548 30 10 IJEE CC(C)(C)c1cc(NC(=O)CCCc2nc(C(C)(C)C)no2)n(-c2ccc(C#N)cc2)n1 1544513513 HNGUEOKMBJPYLH-UHFFFAOYSA-N 434.544 4.683 30 10 IJEE CCO[C@H]1C[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(CC)CC 1559618309 ABOGYYIHJJOMKD-VXKWHMMOSA-N 428.621 4.946 30 10 IJEE CC(C)(C)OC(=O)[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(F)cc1 1562429903 FKEZLNADGMOBDR-QGZVFWFLSA-N 437.393 4.921 30 10 IJEE C=CC(C)(C)CNC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 1564768988 GWTJQNDPQQBVMI-UHFFFAOYSA-N 434.300 4.512 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccc(F)cc1 1569486163 QXQBHIFYYMSYKG-NHCUHLMSSA-N 440.515 4.671 30 10 IJEE C=CC[C@@H](C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)c1ccccc1 1583223139 QJOSUIRKQCHNTK-LJQANCHMSA-N 431.349 4.592 30 10 IJEE C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1584712340 BDNVLZYERCPYSH-CYBMUJFWSA-N 432.377 4.599 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNC(=O)c1ccc(F)cc1)c1ccc(C)c(C)c1 1585493767 ZTCYHDRVZMBMSB-UHFFFAOYSA-N 446.522 4.971 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cccc(I)c2)cc1 1585561416 GNFIRLNHELHXMZ-UHFFFAOYSA-N 435.261 4.553 30 10 IJEE C=CCCCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1587021870 RUXBGJVGZLNMOQ-QGZVFWFLSA-N 427.010 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1587621541 WRNVYSHPDNODDN-ACRUOGEOSA-N 432.616 4.642 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCCC1(C)C 1587940097 MOLNBIQGTOTLCU-DEOSSOPVSA-N 438.572 4.823 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3nc(C4CCCCC4)cs3)CC2=O)cc1Cl 1588153607 FMHMYTBDALLTBS-HNNXBMFYSA-N 428.945 4.707 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCC(F)(F)C1 1588481110 FXJFKCRFISCDNN-SFHVURJKSA-N 425.458 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCCO1 1589251907 UCBRLSZXSKSAIP-VGOFRKELSA-N 449.382 4.725 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1589316468 CCIRIGRLQOGYBT-INIZCTEOSA-N 447.333 4.836 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1589449302 AEOMYRGRXSQERJ-YRWFTTLQSA-N 431.378 4.563 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2CCC[C@H]21 1593770150 XKMWWXKABYGORV-RTBURBONSA-N 428.602 4.551 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@](C)(O)C(C)C)CC1 1594128627 SUUCMEDQAVUJIO-RUZDIDTESA-N 426.605 4.852 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCCS2)CC1 1594430482 NDWPIHCMYDEUFN-NRFANRHFSA-N 428.602 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cs2)CC1 1594461483 RYRJXHONVBEFMG-UHFFFAOYSA-N 426.590 4.540 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1594582570 RFHDIEPCELNDCE-NLWGTHIKSA-N 444.645 4.728 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCOc1ccccc1 1594906051 BNNTURKHDNOCAH-UHFFFAOYSA-N 433.375 4.860 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CCC)C1 1595094743 YBJAPPNYCFEXCX-QHCPKHFHSA-N 444.583 4.643 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(F)(F)F 1597485353 MEZVDKATWZZBQM-NRFANRHFSA-N 446.469 4.881 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCCCC1 1612631493 GEGWOGSQLDLSTI-UHFFFAOYSA-N 434.544 4.550 30 10 IJEE C=CCn1c(SCc2cn(C)cn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1613220926 LTACWHWZIAWZHD-UHFFFAOYSA-N 426.542 4.784 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)Cc1ccc(Br)c(Br)c1 1620838610 XFRKGVJEDHABIM-UHFFFAOYSA-N 441.094 4.544 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1 1620991353 VXZWYEBOXOFIGZ-UHFFFAOYSA-N 440.908 4.577 30 10 IJEE C[C@H]1C[C@H](CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC(C)(C)C1 1622087123 AVGBYNHGXVRHMN-STQMWFEESA-N 431.371 4.591 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c1 1623033501 CIOMZSPSSHJPTO-LEWJYISDSA-N 433.474 4.793 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[C@@]1(C)c1ccccc1OC 1625538530 KDFJVYWGRTXKOP-FPOVZHCZSA-N 431.330 4.874 30 10 IJEE C=C[C@H](CC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1626104042 JJHQASWXOUYFPE-KNQAVFIVSA-N 436.508 4.883 30 10 IJEE Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)NCC1(C#N)CCC1 1632027635 BJRILWRGZMAYGP-ZDUSSCGKSA-N 433.375 4.935 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(I)cc1F 1634163497 CLVOHFIWIBBRGQ-UHFFFAOYSA-N 425.241 4.580 30 10 IJEE CN(C)C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Cl)cc1 1636077512 APHTYANRJAINKG-QHCPKHFHSA-N 447.966 4.866 30 10 IJEE C#CCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1636497904 CDHKXHYAIVYZQC-UHFFFAOYSA-N 438.593 4.624 30 10 IJEE CC(C)(NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(Cl)c1F 1636586026 FXIXUBUJJBBDQQ-UHFFFAOYSA-N 428.939 4.550 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)n1 1637206219 GPRLWTKIFXPLAO-NRFANRHFSA-N 437.906 4.530 30 10 IJEE CC(C)(C)c1ccc(-c2ccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)o2)cc1 1639973527 CUGZFQQUMGNUIN-QFIPXVFZSA-N 441.531 4.647 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)C(C)C 1643753116 IVEULENITWXZSI-VCOUNFBDSA-N 442.629 4.855 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)c(Cl)c1 1644440773 CNMRKWWPOYNDDC-UHFFFAOYSA-N 445.950 4.749 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)Nc2cc(-c3ccc(Cl)cc3)sc2C(=O)OCC)C1 1644469872 LRLIVCCCBLAYCC-OAHLLOKOSA-N 430.957 4.529 30 10 IJEE COc1cc(C#N)ccc1CN1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 1644626972 GJFKUMYZEYPTDV-UHFFFAOYSA-N 431.511 4.607 30 10 IJEE C#CCN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1CCCc2ccccc21 1645390446 ZSVUHRZKHVHDPA-DEOSSOPVSA-N 430.935 4.703 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)nnc1-c1cccc(OC)c1 1651850933 PFFVTCGSPNCCFO-OAQYLSRUSA-N 448.592 4.963 30 10 IJEE C=CCn1c(SCc2ccn(-c3c(F)cccc3F)n2)nnc1-c1cccc(OC)c1 1651851334 XHKDVKQJMKVYBV-UHFFFAOYSA-N 439.491 4.896 30 10 IJEE COC(=O)COc1ccc([C@@H](C)NCCC(C#N)(c2ccccc2)c2ccccc2)cc1 1653224006 HKHGUPAHBNBDHP-OAQYLSRUSA-N 428.532 4.789 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2cc(F)cc(Br)c2C1 1654421647 QEFQBPXBUIUFGH-CQSZACIVSA-N 437.378 4.611 30 10 IJEE C=CCn1c(S[C@@H]2CON(CC)C2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1656002779 SDRDFNNPXHHARO-MAUKXSAKSA-N 446.642 4.598 30 10 IJEE Fc1cc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)ccc1OCC(F)(F)F 1659426983 GCFDDNNCLFUPAI-INIZCTEOSA-N 429.376 4.948 30 10 IJEE CC(C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)Cc1ccc(Cl)cc1Cl 1662119481 CEJHLWZVUBAOFU-QGZVFWFLSA-N 425.381 4.853 30 10 IJEE C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(Cl)cc1 1662140911 GGEBPIFWVFURTH-OMPKRAJASA-N 439.762 4.650 30 10 IJEE C=C(C)c1cccc(NC(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1 1665184093 MAPDDAPWJWRZQG-UHFFFAOYSA-N 432.490 4.812 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1 1675169483 PKRJJOWPTOEYFG-ROUUACIJSA-N 431.964 4.822 30 10 IJEE C=CC(C)(C)CNC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1682601186 FZTAAEYULMMHIM-OQLLNIDSSA-N 442.368 4.541 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F 1682820587 XTUUVXAGHJXICK-LBPRGKRZSA-N 425.248 4.772 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1)c1ccc(Br)cc1 1683508617 WVIFKJRZRYCFPM-HUUCEWRRSA-N 439.762 4.621 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 1683772673 FMGJJGCJMDRVAD-PKOBYXMFSA-N 448.876 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(N(C)C)CCC1 1690198141 DTENQEGZLXEJFE-OAQYLSRUSA-N 432.399 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccco1 1690240270 DAYIQFDFVRSEKS-KNBMTAEXSA-N 427.936 4.765 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1 1690277313 NUVNIVWZSKACAO-KBPBESRZSA-N 437.407 4.623 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690278765 PRGYVUFYLFDBHE-SFHVURJKSA-N 437.544 4.761 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1690365714 DVVHJJOGBLAZTL-QHCPKHFHSA-N 434.531 4.890 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1690375735 SDUXTOBSDXCEGB-UHFFFAOYSA-N 436.526 4.939 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@H](C)N(CC)CC)CC1 1690399299 SGUIVOZNYAUIAG-FQEVSTJZSA-N 432.616 4.934 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1690486385 HVRUEHICYRGRPN-UHFFFAOYSA-N 439.510 4.556 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(=C)C 1690556182 OTWUYXAOZDYIER-URXFXBBRSA-N 445.567 4.523 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1=CCCCC1 1690561092 CEGVPUBEOYYVNF-UHFFFAOYSA-N 428.540 4.618 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CC=CCO1 1690579736 RKBRJMZORCIQSB-OAQYLSRUSA-N 436.581 4.765 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1CC1(C)CCOCC1 1690605540 NYBCNWSAFNNISY-UHFFFAOYSA-N 436.556 4.599 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CC[C@](C)(CC)O2)C1 1690689944 OJJLOTYONCPQDI-VIZSFHNOSA-N 430.980 4.728 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CCCS2)c1C 1692898461 BQWSWONJIUJRRJ-YSZBQJHXSA-N 443.592 4.763 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(OCC(F)(F)F)cc2)o1 1693043146 FJKWWZHDHAGXNG-AWEZNQCLSA-N 433.434 4.574 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccco1)N(CC)CC 1705486156 YAEVMFKEAZAKJZ-WMZHIEFXSA-N 442.567 4.627 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N(CC)CC)CC1 1705511939 KOESBLBSUNCQEQ-UHFFFAOYSA-N 431.987 4.852 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1705513178 DAUFQBXOMHCNDR-UZLBHIALSA-N 443.389 4.515 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1705664165 WNHINHLEJSDSGB-OAHLLOKOSA-N 444.576 4.699 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)C1CCC1 1705697764 NICKFYNRCSEUIQ-VQIMIIECSA-N 431.378 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccco1 1705697825 OIJZLOOFYVXVJW-HMFYCAOWSA-N 440.519 4.768 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1705757437 LIAMJYAJCFXJOZ-MRXNPFEDSA-N 431.968 4.537 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCN2CCCC2)CC1 1705771824 DQTVQKIIBNZUSI-UHFFFAOYSA-N 437.632 4.797 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCOc2ccccc2C(C)C)CC1 1705783510 JUHOWZZCRHQBLE-UHFFFAOYSA-N 431.584 4.869 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1705791457 WMQLQARKGZEMAS-OAQYLSRUSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705811617 GVHGLLXHBQDZMM-ISKFKSNPSA-N 447.631 4.911 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1705856208 KMOZIHAHCCLOCP-QZTJIDSGSA-N 428.602 4.549 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1Cc1ccncc1Cl 1705864684 JLBAHNXPODIHSC-UHFFFAOYSA-N 448.933 4.692 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)NC(C)(C)C 1705870961 RZJAALXQGFOENO-QGZVFWFLSA-N 441.645 4.615 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(C)C)CC1 1705940654 LFOZRXYBYXMREO-UHFFFAOYSA-N 438.439 4.827 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)C1CCCC1 1708023183 FNCSMCOWRYISPQ-MSOLQXFVSA-N 440.661 4.744 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(F)(F)F)cs1 1708575707 AXKYSEOXJFDVDG-ZDUSSCGKSA-N 434.491 4.823 30 10 IJEE CCOCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1710628432 CKUYORZDLVRZOJ-UHFFFAOYSA-N 429.996 4.715 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1712882853 HIAAXNXNJLDCJB-HKUYNNGSSA-N 446.020 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(OCC2CC2)c1 1722283870 HFILSRDRDHRXTA-IBGZPJMESA-N 443.595 4.933 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722356657 ZPMGBRMXKIJQRQ-GBXCKJPGSA-N 438.616 4.675 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccoc1 1722389776 WDAKQNNHTIITEZ-UHFFFAOYSA-N 430.508 4.917 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCCN1CCCC[C@H]1C 1722393876 JXXJBTLQQDAVCL-JOCHJYFZSA-N 442.611 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC(F)(F)F)cc1 1722512838 MRUIVDWKGXUFEF-UHFFFAOYSA-N 431.462 4.998 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722519178 NFRKKGQVBQBYMG-ZJOUEHCJSA-N 444.023 4.937 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1722579610 JBQSFNLDFVESCH-UHFFFAOYSA-N 444.627 4.755 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCCCC1)C1CC1 1722645462 NPYKEHDXDIWJRK-UHFFFAOYSA-N 431.378 4.558 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@](C)(O)C(C)C 1722661219 XEIURISRAOFYIR-QHCPKHFHSA-N 428.577 4.669 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@](C)(O)c1ccsc1 1722675955 TWPLIUHADGAIBO-DEOSSOPVSA-N 434.565 4.742 30 10 IJEE C=CCOc1ccc(Cn2c(N3CC[C@@H](CN4CCCCC4)C3)nnc2C(C)(C)C)cc1 1722705468 YXXSHZQJIXHPRT-QFIPXVFZSA-N 437.632 4.501 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C 1726596312 BIDKTMMSQRGYIY-CVEARBPZSA-N 440.473 4.761 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1728072277 ACYFKKQOSQNYDC-PQNGQFLHSA-N 434.632 4.954 30 10 IJEE CS[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)(C)C 1731055596 BJNGJBJARKYYGB-XXBNENTESA-N 445.608 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCC1 1740532705 KWFDCSJECVKCKG-OALUTQOASA-N 444.023 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@H](C)C1 1740539879 WMFZCWULKOBMNY-CZTZKLFOSA-N 431.584 4.626 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1740572047 YKWXHBRSMNGBJJ-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCC(F)(F)C1 1740641681 NPGQEOKZGKFFHZ-IBGZPJMESA-N 430.930 4.811 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCCC[C@H]1C 1740648901 LSGZBLYDFXGDDD-ILBGXUMGSA-N 431.628 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1740650378 YNVPUOSOJBNZMQ-PKTZIBPZSA-N 445.655 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1740759526 JXAYFHJSKYRKFP-AVRDEDQJSA-N 426.586 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@@](=O)C(C)(C)C 1740767982 BSGKKBPWCFVNGJ-WJOKGBTCSA-N 439.629 4.751 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1740855490 HXASIHLOQSQUPL-IBGZPJMESA-N 429.996 4.696 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](SCC)C1 1740876927 PBGYGLLFXMMADE-NQIIRXRSSA-N 428.602 4.869 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740904403 JLGUFKVIRUDMHC-NLFFAJNJSA-N 425.621 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC1CCN(c2ccncc2)CC1 1740929376 ROODDQFVEDWJLQ-UHFFFAOYSA-N 428.584 4.744 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CCS1 1741400859 BCLLFFCYDHTGIP-QUCCMNQESA-N 427.643 4.538 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(C)C)C1 1744872222 CPFKTLZDNIAEJX-DNQXCXABSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1nnc(C(C)(C)C)s1 1748687495 LBAUETOQTLRURD-MRXNPFEDSA-N 440.642 4.534 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](C)C1 1748706230 FIGKXXNKOCXPTK-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1Cc1csc(-c2ccco2)n1 1748936202 QSBLVDDIGRHZQZ-UHFFFAOYSA-N 431.565 4.678 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1ccncc1Cl 1748944891 IMKFQNQDRHORPR-UHFFFAOYSA-N 425.939 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1ccnc(SCC)c1 1749071704 OQWIUYJQUZPTDH-RUZDIDTESA-N 431.609 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(OC)c1 1749171580 YOPOLYSPGCJELP-FGZHOGPDSA-N 426.605 4.850 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2C)CC1 1749330608 IYIMPNKDCQMTAU-UHFFFAOYSA-N 440.389 4.805 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N1CCC(C)CC1 1749473448 IIOCCSIPXQAHGJ-OAHLLOKOSA-N 438.439 4.512 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C)c(C)s1)C1CC1 1749508760 ZAWJEJYOPWHTCM-HNNXBMFYSA-N 427.549 4.834 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccccc1OC)C1CC1 1749510861 AIOQGZFYHTWOQS-INIZCTEOSA-N 439.947 4.624 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1749544349 FCSQFZSBGRPCDN-VTYHHJSWSA-N 449.574 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1749553036 DSPZKFHTGMTHFH-DVECYGJZSA-N 444.645 4.849 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccsc1 1749587106 IHBVTKGYMGCICQ-UHFFFAOYSA-N 429.549 4.949 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1749761274 ZQLYCQQPKCTMLL-FQEVSTJZSA-N 437.613 4.807 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCC1 1751379642 FNERORKGGVLCMB-OALUTQOASA-N 445.011 4.523 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CCC(C)CC1 1760213647 JZLFVBPGYIGWBR-QHCPKHFHSA-N 445.655 4.826 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)C1 1760351488 HTZFRKSOHGVEGU-FDDCHVKYSA-N 448.995 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1760411205 GKAQIKHNPFEUBI-XMMPIXPASA-N 429.008 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1760415571 DIHZCVXOVMUDEL-XMMPIXPASA-N 428.552 4.605 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncccc1C 1760419643 YGWLULJOGAORAP-UHFFFAOYSA-N 443.393 4.970 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)C)CC1 1760428617 ZXVVSFTVYZXKMU-JOCHJYFZSA-N 426.561 4.541 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1760448267 ZXHIKYWBDLIGEX-WOJBJXKFSA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1Cc1cc(Br)cs1 1760467783 VNYWFNXWGFMETG-UHFFFAOYSA-N 442.386 4.776 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)CC 1760487693 BIHXZGZOFMTNFD-DEOSSOPVSA-N 435.597 4.696 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1Cc1nnc(C(C)(C)C)s1 1760492478 UTMAQBIQDLKMRK-UHFFFAOYSA-N 445.596 4.869 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1CSC 1760533449 QWSIWHDAFIYULA-FQEVSTJZSA-N 435.597 4.593 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC(c2nccs2)CC1 1760567452 BDPLXZVSXNLVOB-UHFFFAOYSA-N 431.656 4.690 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)OCCc2sccc21 1761358893 IBMOHWCHFKFLLQ-OYHNWAKOSA-N 441.988 4.886 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1ccccc1 1762808060 HJTLVXDHWRTTLX-FUMQJTLXSA-N 449.624 4.777 30 10 IJEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)C1 1769619077 BNDCPAKSSYLRGP-SFHVURJKSA-N 429.515 4.505 30 10 IJEE CC[C@@H](C)n1c(O)c(N=Nc2ccc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O 1772740931 NJQBNWHOHWQPQM-SECBINFHSA-N 434.250 4.791 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Br)c3)CC2)cc1 1857957255 MQYADYVHCQZJRK-OAQYLSRUSA-N 440.385 4.769 30 10 IJEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861241735 FZMDHJVGIWPIML-RUZDIDTESA-N 433.637 4.660 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCO3)n(Cc2cc(C)ccc2C)n1 1862365292 GUIGCINAKQEUOK-UHFFFAOYSA-N 429.520 4.758 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccc(O)cc2)cc1 1862411658 MQAMKACAVAKXFX-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1862446321 PNXUCYMMCRIONO-LJQANCHMSA-N 433.335 4.523 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)c(O)c1 1862458744 UTWJARHYUHRSIR-FQEVSTJZSA-N 449.425 4.674 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc(Br)ccc1F 1862567055 JLWYGZLNSQOOKN-SFHVURJKSA-N 447.304 4.549 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccccc2F)cc1 1862614747 DNROGKBODBXZED-JOCHJYFZSA-N 439.527 4.864 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862617234 HHRGFVRYRZKVSA-XOBRGWDASA-N 427.928 4.597 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc(Cl)c1O 1862656437 FKGKXFXRSQVAEL-OAQYLSRUSA-N 449.890 4.948 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862674353 MIQPACGEZJPLQM-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862694129 BWVOCYQVNLFMFN-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2C)c1 1862747262 OGASTWOAHIJURP-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862760189 IRMZFIZQKUREMM-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1862956770 QDCJNCKZRZSVPR-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCc3ccccc3)C2=O)cc1C 1863254043 JOHDTXDMXJFSNL-UHFFFAOYSA-N 435.527 5.000 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1863299849 YHZRBEBDAFEWHZ-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1C 1870084861 ZPPHKYJTHCYUJT-UHFFFAOYSA-N 442.556 4.711 30 10 IJEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN(CCCC)CCCCCC 1870516579 MSPMJTOXBIPMOB-UHFFFAOYSA-N 433.637 4.512 30 10 IJEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870810946 ZNGKZOODZAHNDX-UHFFFAOYSA-N 443.544 4.703 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871005687 SUIAYTFUZYKGBO-UHFFFAOYSA-N 426.438 4.734 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1ccc(C)c(F)c1 1871165743 GSGSFJFZGHYBCN-UHFFFAOYSA-N 449.526 4.728 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1OC 1871374373 HOIZPPPMYIKYCW-QRVIBDJDSA-N 448.446 4.916 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871683455 WMMVBWOSHKOHAI-QZTJIDSGSA-N 446.590 4.992 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871888777 DHCALCIRVKFQGS-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1872005643 GYXGLKABJDCIHA-GOSISDBHSA-N 444.597 4.587 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cccs1 1872469556 QYWZSRQXMTXGBJ-FQEVSTJZSA-N 434.627 4.931 30 10 IJEE Cc1sc(C2=C(N)N(c3ccccc3Br)CC2=O)nc1-c1ccc(F)cc1 1872726307 PDCCOSPYRBVPLJ-UHFFFAOYSA-N 444.329 4.737 30 10 IJEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)cc1 1872770109 JZENTZQOTCLQKH-OAQYLSRUSA-N 433.533 4.976 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3cccc(C)c3C)[nH]c2c1 1872816704 ROCLCLFJLAMICP-UHFFFAOYSA-N 434.565 4.725 30 10 IJEE C=CCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169802 WGCOPNYTDFSFNP-UHFFFAOYSA-N 439.559 4.767 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422827 RDBQJISZRTZHPH-UHFFFAOYSA-N 439.515 4.675 30 10 IJEE Oc1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCCc1ccccc1 1874376058 CLNSOHJFDCJQQI-YZSQISJMSA-N 432.524 4.931 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCO)nnc2-c2cccs2)cc1OC 1874424934 KCCHJRAIORIUFZ-PXLXIMEGSA-N 446.598 4.551 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1F)Nc1ccccc1 1874425512 MVAYRIDHRHCLER-MFKUBSTISA-N 431.496 4.697 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)c1 1874461328 IKORQHLJMPRISG-ZMOGYAJESA-N 436.459 4.531 30 10 IJEE CCCOc1cccc(/C=N/n2c(CCC)nnc2SCC(=O)Nc2ccccc2)c1 1874505062 OTIMWXJAYOTPAH-LFVJCYFKSA-N 437.569 4.632 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874510946 CHOJDACNNHFHOF-AEIQVQRHSA-N 446.580 4.564 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OCC 1874606683 ATDVJLCUPKKRRV-VQHVLOKHSA-N 445.943 4.857 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875125095 QIEUYCWIZPJLCW-VMPITWQZSA-N 443.358 4.980 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)c1cc(-c2ccc(-c3ccccc3)cc2)on1 1891833434 HCHCPQZZHIAESE-UHFFFAOYSA-N 447.538 4.800 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](C#N)CC12CC2 1901537257 NYZGIVNIMDLOHR-HOYKHHGWSA-N 443.547 4.598 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Br)ccc1Br 1982455064 FHPWECZWAZFDBV-CABCVRRESA-N 449.183 4.584 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C[C@@H](C)C#N)C1CC1 1984689946 DHKZMMJHLXCJRD-AVRWGWEMSA-N 445.563 4.700 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H]2CNC(=O)OC(C)(C)C)c1 2006111429 GCJKLCTYYJNTHF-MWTRTKDXSA-N 431.533 4.634 30 10 IJEE COc1ccc(C=CC(=O)N=C2N=CC(=NNc3cccc(C(F)(F)F)c3)S2)cc1 2053589793 WVRPNILPSZXBGQ-UHFFFAOYSA-N 432.427 4.853 30 10 IJEE C=CCN(CCC(=O)Nc1c(Cl)cc(F)cc1Br)C(=O)OC(C)(C)C 2060650549 GJJYNJWDIMCDSW-UHFFFAOYSA-N 435.721 4.993 30 10 IJEE CCc1nn2c(Cl)cc(-c3cc(C(F)(F)F)cc(Br)n3)nc2c1C#N 2081194759 DKXQCZTXBZOVRO-UHFFFAOYSA-N 430.615 4.660 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2082165585 LOHXXUUQQVEZJN-KWNHSTDBSA-N 446.632 4.572 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1cc(Br)cc(F)c1C#N 2174770914 DCXNJZJTQPJFBH-FZKQIMNGSA-N 440.357 4.932 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181104285 XVVBCRUGMQASRU-UMVBOHGHSA-N 436.350 4.541 30 10 IJEE C#CC[C@@H](CN(C)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CC1 2196767028 TUZZNABKBQGRAZ-HNNXBMFYSA-N 435.362 4.918 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2227464799 VQHBUSRQOAGYDY-WMZOPIPTSA-N 435.387 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2262207570 SXIUFQVFJNYHKJ-PXDATVDWSA-N 447.572 4.512 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2267113246 QVDFYRIBGYWWLL-PPMYUTJDSA-N 439.405 4.701 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 2268653393 MGOPXAOVHNGJPW-UHFFFAOYSA-N 442.365 4.827 30 10 IJEE CN[C@@H](CC#CC1CCCC1)c1cc(Br)ccc1I 2274131884 XOOWEDPBOPHQLM-INIZCTEOSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNc2c(Br)cccc2C#N)C1 2285185224 XRCRXEYOCGYBBN-CHWSQXEVSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2285831870 VKHYPSYXNHSCOE-OFIQSVQDSA-N 434.378 4.990 30 10 IJEE C[Si](C)(C)C#CC[C@H](OCCCN)c1cc(Br)c(Br)s1 2294486650 ZXWKWVWFALMGAF-LBPRGKRZSA-N 439.289 4.951 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](O)(C#Cc1cccc(Br)c1)C2 2296225106 RAWAOMKGZGKXEG-QFIPXVFZSA-N 434.374 4.733 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2296287642 YSGZPRLJBZRNOH-JKSUJKDBSA-N 449.311 4.577 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 2296296405 NJSKCNYCUKYKEE-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(F)cc4)ccc3C2=O)c(OC)c1 2296867599 ZPCQOTMNTXOTGL-UHFFFAOYSA-N 434.419 4.721 30 10 IJEE O=C1Nc2ccccc2C1=C1SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 2314540322 NXEDHJMDQACVDM-UHFFFAOYSA-N 438.940 4.994 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@@]1(C)CC 2315224718 GGNNWUPLLQMRKI-LOSJGSFVSA-N 447.572 4.799 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(C[C@@H]1COc3ccccc3O1)CO2 2322234794 XTHUBSWATZQGNL-LJQANCHMSA-N 441.483 4.603 30 10 IJEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2cc(OC)ccc2OC)c1 2323178129 LPXJNUFFCFVOEA-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1ccc(Cc2nnc(SC)n2N=Cc2ccc(C(F)(F)F)cc2)cc1OC 2326714370 GDTBIUMGPJBZKO-UHFFFAOYSA-N 436.459 4.509 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)c1 2327460062 HAXRVMORVGOPAK-UHFFFAOYSA-N 437.475 4.705 30 10 IJEE 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CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)c1 1205096445 AKDWZWZLUABMPR-INIZCTEOSA-N 449.960 4.525 30 10 IJEE CCCCc1ccc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1214147568 FPADWHMVNLEAPF-UHFFFAOYSA-N 428.540 4.645 30 10 IJEE C#C[C@@H](NC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)c1ccc(F)cc1 1224081906 OXTYNEQPVYLJFB-OAQYLSRUSA-N 431.552 4.759 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)cc(OC)c1OC 1225350458 KRLLPACIVPSGDA-HNNXBMFYSA-N 436.474 4.882 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1226137656 RPEHQSRXPHZGFV-HXUWFJFHSA-N 429.511 4.743 30 10 IJEE C=CC[C@@H](CC)NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1227349692 XBMLQCUCMUEARN-QGZVFWFLSA-N 428.558 4.505 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@@H](C)N1CCCCC1 1234001184 GPDBZLPUMQDEOZ-MRXNPFEDSA-N 426.374 4.550 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 1253966362 PBHMRTXRTZRQIU-IBGZPJMESA-N 433.959 4.623 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286355383 MYHUXVRSEIQRCT-TZIWHRDSSA-N 445.007 4.669 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCNc1ncc(Cl)cc1Cl 1286364048 XNYPZWCIOOLQEH-SFHVURJKSA-N 443.382 4.703 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](SC)C(C)(C)C 1286368624 WWHRVIJUGMRRCF-OAQYLSRUSA-N 438.597 4.964 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC(C)C)C(C)C 1286551755 MYDYFVUNZSHCCV-XXBNENTESA-N 442.604 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCCNc1ccc(C(F)(F)F)cn1 1286571216 JMFFIZPMHQPCJN-UHFFFAOYSA-N 445.493 4.659 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCc1nccs1)c1ccccc1 1286678198 RXYUABNLJQSWFS-HXUWFJFHSA-N 432.597 4.779 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286707362 YNEFBGGUUGUWAE-ZDUSSCGKSA-N 428.421 4.705 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(C)C)cc1 1286748139 QLHJMAOTKWGNGZ-UHFFFAOYSA-N 448.596 4.768 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)N(C)C 1286749196 MSEDFBMGBLRGPA-PZJWPPBQSA-N 441.601 4.670 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 1299051093 YMBXWZGOBBUJKF-INIZCTEOSA-N 447.885 4.539 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C(C)C)C(C)C 1300273801 HFKIHXVGHKSIKI-OALUTQOASA-N 432.012 4.648 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1300395295 YSKDBPIDQGSPJL-KRWDZBQOSA-N 432.446 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCCN1CCC 1300813862 SMBPXJSARJKFAB-RPLLCQBOSA-N 433.644 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2OC)C1 1300886393 XNSKJECFWBRQDE-REHUZNOOSA-N 438.616 4.850 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@@H](C)C2)CC1 1301065595 HJAXBFDZYCCKRI-UXHICEINSA-N 444.023 4.960 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OCC)CC1 1301139636 RXZIIRVAPNLEBH-NRFANRHFSA-N 439.604 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301143067 CSDMLUXYPRWNGM-CUVVAGTFSA-N 438.616 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301143167 FOASYFOIJUEURH-LJQANCHMSA-N 435.572 4.789 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1301176176 RLNUSOCUZHETGY-CALCHBBNSA-N 446.617 4.657 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1301360183 WVVZVRBMKYRRTQ-JOCHJYFZSA-N 444.988 4.658 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](n3cc(C)cn3)C2)cc1 1301524698 DAMSWRIBNTYSIS-QFIPXVFZSA-N 448.615 4.826 30 10 IJEE C=CCC1(C(=O)N2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCC1 1304152196 ZGVOYQIUNWOZJK-UHFFFAOYSA-N 440.584 4.924 30 10 IJEE C#CCN(Cc1ccc2c(c1)OCCCCO2)[C@@H]1CCOc2ccc(Br)cc21 1308634794 RNZOHHGHNVFYOM-HXUWFJFHSA-N 442.353 4.960 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(Cl)c1Br 1309580176 WTEHTNRECRGZAG-MRXNPFEDSA-N 428.779 4.709 30 10 IJEE Cn1cc(CNC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c(-c2ccc(C#N)cc2)n1 1312124926 HWMGDAJYZNPVEE-RUZDIDTESA-N 449.558 4.784 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1 1314926843 FQTGIGCNROPBJR-NRFANRHFSA-N 441.023 4.849 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1358907211 HTBVJMRJDAVAEZ-HZPDHXFCSA-N 449.418 4.578 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCS1 1358969387 OAWSFIDHHWDPFB-AZUAARDMSA-N 443.016 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1csc(CC)n1 1359100956 IJQLOERMXMDFOX-UWJYYQICSA-N 443.642 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1359109536 FOEGTJNFLQKHGQ-NRFANRHFSA-N 425.621 4.724 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)N2CCCCC2)CC1 1359162188 HLKQWUOEDFCLJS-UHFFFAOYSA-N 448.398 4.811 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1359193971 MLKRIPFEGSMECZ-FYYLOGMGSA-N 447.583 4.511 30 10 IJEE Cc1ccc(Oc2ccccc2CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1435866367 BSEHVPMQYNCJCK-DEOSSOPVSA-N 439.515 4.513 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2Cl)nc2cc(Cl)ccc2c1=O 1458738818 ZPCQKTIVFXECNQ-UHFFFAOYSA-N 435.332 4.968 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 1461526971 BWOPFEYSCAXMBG-RBBKRZOGSA-N 432.630 4.589 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)cc1 1463284140 HLHKQJXLAMCZKU-ZDUSSCGKSA-N 447.379 4.593 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1 1464354252 YPAAIOLXYUSJJK-UHFFFAOYSA-N 436.533 4.812 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 1468804875 PIGIOHXNOTXYRV-RTWAWAEBSA-N 443.494 4.790 30 10 IJEE N#Cc1ccc(C2CCN(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 1473838569 HILJGKFUUDEOHC-UHFFFAOYSA-N 433.939 4.967 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 1475884343 HPHJSFRICSPVNN-HNNXBMFYSA-N 432.952 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507519211 YLQBMZKAHDBWPU-ZVVDCOBXSA-N 445.007 4.981 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCSCC(C)C 1507519958 LUSHBAQDHJHPDO-INIZCTEOSA-N 435.435 4.945 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCCC1 1507958174 QCAABRXMRQEAEP-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CC(=O)N(C)C1CCCCC1 1508007169 UOGBNGKAUIOMQF-UHFFFAOYSA-N 441.645 4.981 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO[C@@H]1C(C)C 1508019353 FXKQXOQNBLBLPC-WZONZLPQSA-N 430.543 4.777 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1508019796 JHWMESFIMMIEIC-NOZRDPDXSA-N 429.568 4.610 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H]2CCO[C@@H](C)C2)C1 1508112969 SUCMALWRKSXFPY-GBESFXJTSA-N 430.980 4.585 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@](C)(OC)C2CC2)C1 1508119723 XLYMWBBDXXMQSW-NVQXNPDNSA-N 438.616 4.839 30 10 IJEE Cc1cc(Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)[C@@H](C)CC#N)on1 1511958112 FQAUEQIQMYDGKC-HNNXBMFYSA-N 436.516 4.896 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccnc(C(F)(F)F)c2)cc1 1513626287 CHFWUJXIOKJDCN-HNNXBMFYSA-N 428.462 4.708 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1 1520240828 XYGQMSDARQMVJW-QFIPXVFZSA-N 442.346 4.992 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 1521711235 HDVZZVPHVQZNLF-MOPGFXCFSA-N 439.515 4.755 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 1523604079 YMQDZMLYGZLABO-BENRWUELSA-N 427.522 4.639 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)OCc3cc(Cl)c(C)cc3Br)cc2C1=O 1524936195 OLXWSDVFAYSRFP-UHFFFAOYSA-N 448.700 4.550 30 10 IJEE C#C[C@@H](NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl)c1ccc(Cl)cc1F 1525070578 VOUAWPABTUGSBM-CQSZACIVSA-N 448.730 4.684 30 10 IJEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1526117398 AFUHZFYUHVDTLF-INIZCTEOSA-N 433.870 4.553 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1Br)c1ccc(Cl)cc1F 1528531064 GBUOJFMTIXMDQH-GOSISDBHSA-N 446.707 4.591 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CCCC1(C)C 1530840090 QIASXBKBKUPTQM-LJQANCHMSA-N 432.476 4.577 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCOc3cc(Br)ccc32)cc1 1531237119 HSKIUEWBJUIMRH-UHFFFAOYSA-N 449.304 4.939 30 10 IJEE Cc1nnnn1-c1ccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1 1537451806 ADOSOLGFTIXCMP-UHFFFAOYSA-N 447.314 4.512 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCSc1nccs1 1538970728 FASATVKGWJRZPE-HZPDHXFCSA-N 445.589 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](SC)C(C)(C)C 1538971948 GCKQFHLKEGSBFN-RHSMWYFYSA-N 435.435 4.943 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOCC1CC1 1538976945 RBSKXDLCUOCXOR-QGZVFWFLSA-N 435.597 4.652 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1cccs1 1539049080 GWVYZJFIWIIDLR-UHFFFAOYSA-N 446.418 4.938 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1539052845 VFXMTIQSFNJXDQ-OAQYLSRUSA-N 444.627 4.849 30 10 IJEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C)=C(Br)C1 1539109237 LROWEIKODXDNAQ-UHFFFAOYSA-N 436.357 4.786 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCN(CCC)C1 1539153343 APFCVRMPBBOMKR-MRXNPFEDSA-N 428.005 4.615 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1539288227 AOPVTHARLCVMAQ-OALUTQOASA-N 430.474 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC1CCCCC1 1539352143 RLMRLTDGTGONME-UHFFFAOYSA-N 448.398 4.550 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1539498481 WYBXFSLERVQLJU-QUCCMNQESA-N 434.613 4.717 30 10 IJEE C#CCSCCn1c(-c2ccccn2)nnc1N(Cc1ccccc1)Cc1ccco1 1539506050 PVGNTMWAUKCIPG-UHFFFAOYSA-N 429.549 4.506 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](CCC)C1 1539615472 JAMSAPFGERDSIK-SBFWRKJZSA-N 438.616 4.807 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 1539828491 LYEOXKUJRSFCID-UHFFFAOYSA-N 438.524 4.763 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1539856283 XDVQHLNNAJHGDU-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCCCN1CCCCC1 1540062689 UGUMQEGBRSNFTH-UHFFFAOYSA-N 446.437 4.986 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCOc1ccc(Cl)cc1 1542154258 UCMCGGCIRJXVQE-QGZVFWFLSA-N 431.360 4.603 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCOC2CCCCCC2)c1 1542268789 HHWXZPLHOKENPA-HXUWFJFHSA-N 439.604 4.809 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)c(OC)c1 1544277657 VMNPPIMYHUWUOC-LJQANCHMSA-N 443.971 4.946 30 10 IJEE C=C(C)COCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1544313829 UBBYDZSNGMJTCC-UHFFFAOYSA-N 432.549 4.780 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 1544318610 IIBHYZPTXCRPSJ-XRKRLSELSA-N 440.587 4.958 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2c(C)nn(CCCC)c2C)[nH]n1)c1ccccc1 1558718486 IPEJNROCTXVHPD-PMERELPUSA-N 425.558 4.543 30 10 IJEE C=CCOCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1558906218 RGRALIPOMHWMJB-UHFFFAOYSA-N 443.352 4.716 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)OCC)c1cccc(Cl)c1 1559346938 GXJJGHVDXCBJFR-FQEVSTJZSA-N 449.020 4.542 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCc4ncsc4C3)c2C#N)C1 1559761035 GWKNMXZHDTWKQE-AWEZNQCLSA-N 428.627 4.614 30 10 IJEE C#CCSc1ccc(COC(=O)c2cnn(Cc3ccccc3)c2Br)cc1 1585110205 JBRGJEHSSCYIOM-UHFFFAOYSA-N 441.350 4.776 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 1585594396 WSUMVORNTFKPJY-OAQYLSRUSA-N 448.346 4.917 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CC(F)(F)CO1 1587575579 YJJVBSQBDSCQRK-CHWSQXEVSA-N 436.915 4.695 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)CC[C@@H]1C 1589421790 YJLNTYAHNWPSNJ-OCCSQVGLSA-N 425.321 4.681 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC)cc1 1589556905 FNWSNTYZPRBZSQ-NZQKXSOJSA-N 438.597 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCOC1=O 1589608890 PYIXIZDIXLXQFA-UHFFFAOYSA-N 443.617 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1589636645 BQXXRNMQFBLXHJ-QHCPKHFHSA-N 434.588 4.521 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1589675625 GHUFEECRESRYJD-LJQANCHMSA-N 433.641 4.916 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCN1CCC 1589694883 VWOBTGDESBTLPB-YPAWHYETSA-N 431.669 4.864 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)[C@@H]1C 1593825618 BRUCRUFLUDLVPK-NWDGAFQWSA-N 445.789 4.929 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1594581945 IAPTUOKWKIFLPG-XLIONFOSSA-N 444.421 4.737 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cccc(C(N)=O)c1 1594693176 RYEVEJQGKKOABG-UHFFFAOYSA-N 449.624 4.977 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1sccc1Br 1594937296 WGTQRSFNOUEQJJ-UHFFFAOYSA-N 442.386 4.931 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN(C)C(=O)OC(C)(C)C)C1CC1 1595038317 SVRYOVUOGDLBPJ-UHFFFAOYSA-N 439.604 4.919 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1595075219 BACZXAKCWJRYMV-NHCUHLMSSA-N 437.632 4.867 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2occc2C)C1 1595699614 FUXMXRFHFWSERV-INIZCTEOSA-N 433.339 4.983 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3cc(Cl)cc(Cl)c3[nH]2)CCCN1C(=O)OC(C)(C)C 1595733557 DOJZIMPCBNYTBY-FQEVSTJZSA-N 437.327 4.601 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1595838456 SXGYLIBPZYCKMT-FPOVZHCZSA-N 439.629 4.835 30 10 IJEE C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN1C(=O)OC(C)(C)C 1597988944 CBJUXEIGJHIGKC-SJLPKXTDSA-N 436.512 4.720 30 10 IJEE C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1)Sc1ccccc1 1611591037 FZYGQINKNLMCOW-CYFREDJKSA-N 432.597 4.575 30 10 IJEE COc1cc(CN(C)c2ncc(Br)cc2C#N)ccc1OCc1ccccc1 1611775396 AOHLAXYHHXXBLG-UHFFFAOYSA-N 438.325 4.940 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C)c1ccccc1 1616818112 PFJAWSHBDKXVQJ-JGCGQSQUSA-N 444.512 4.649 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 1623169474 XJWZZZPJEVLOPF-IBGZPJMESA-N 441.261 4.889 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CCCC1 1629246564 AMQIWZJQVNBEMT-UHFFFAOYSA-N 442.581 4.752 30 10 IJEE CC#CCCNC(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1631719841 DAFNFGLHFQOFKU-UHFFFAOYSA-N 432.564 4.860 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cc(C#N)ccc3Br)CC2)C1 1643288195 AAXGRJDBWAICKO-GOSISDBHSA-N 448.405 4.790 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1coc(-c2ccccc2F)n1 1643573318 LDYOUZFEIORGSE-UHFFFAOYSA-N 427.549 4.579 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nccn1-c1cc(C)ccc1C)c1ccccc1 1646626000 REILHWUXQKDGFK-LJAQVGFWSA-N 425.579 4.821 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(CC)OCCc3ccccc32)cc1OC 1656366993 TTZNTVWRAWVVPF-HSZRJFAPSA-N 446.385 4.990 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1659011252 OMDYJGVVYVVZMN-NRFANRHFSA-N 432.992 4.964 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1 1667787250 GGZALYOKJVZTCK-XZOQPEGZSA-N 428.492 4.584 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2cc(Cl)ccc2I)c1 1668342731 DSOIEKLZOJSVCB-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C#CCN(C(=O)Nc1ccnn1CCC(C)C)[C@H]1CCOc2ccc(Br)cc21 1669169299 ZBRKVGUHGYDZKG-SFHVURJKSA-N 445.361 4.683 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(Br)cc1 1676033360 QWRLXYSDRCQYTO-INIZCTEOSA-N 429.211 4.781 30 10 IJEE C=CCC[C@@H](NC(=O)NCCn1c(=O)oc2ccccc21)c1ccc(C(F)(F)F)cc1 1677269405 URSIZKXDQMQTFX-QGZVFWFLSA-N 433.430 4.620 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)[C@@H]1CCCc2ccccc21 1678516082 OQENCWFGLPUNPX-DNQXCXABSA-N 432.955 4.848 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)NCc1ccc(C#N)cc1)C(F)(F)F 1679198854 DGFPJNXJHNGZAF-FQEVSTJZSA-N 441.457 4.506 30 10 IJEE C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1681283201 GJBXYHXOYVFROD-HXUWFJFHSA-N 435.531 4.690 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1683854405 FBSARXAVGPHDQP-AZUAARDMSA-N 433.568 4.820 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)s1 1689883942 CSPDFXIEURFXSP-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1689919418 NNZUNTATAOYEEC-MLGOLLRUSA-N 447.288 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690037555 XWEKKVBQFQENGY-PMACEKPBSA-N 425.458 4.573 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1690157290 CRSKDPKFZMLPDZ-SLFFLAALSA-N 442.604 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)COC 1690193538 MDICEFYNFJYXPY-LSRZYVKLSA-N 445.007 4.963 30 10 IJEE C=C(Cl)Cn1c(CC2CC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1690350531 MSECLDLFZNCQOT-MRXNPFEDSA-N 427.749 4.893 30 10 IJEE C=C(Cl)Cn1c(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1690358581 FCNVQGAXZWFRQX-UHFFFAOYSA-N 440.032 4.802 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[S@](=O)C(C)(C)C)CC1 1690399200 QGYWMBWLCRSEHM-DFXYEROKSA-N 428.646 4.770 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1sccc1Br 1690533599 OZIHRRXVAPCKMK-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1Cc1ccnc(OC2CCCCC2)c1 1705608758 CQTZAQTXBSRYGT-UHFFFAOYSA-N 433.531 4.699 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1c1ccsc1 1705666007 KQEBPYGBDZIFJX-NRFANRHFSA-N 438.622 4.935 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(Cc1cccc(F)c1)C(C)C 1705707888 UFQNJZMLDCIKJP-NNWRFLSQSA-N 428.552 4.665 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705733551 PWDPLMCEVDLNEL-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1705797914 GMNXTPSWNMTHFG-RPWUZVMVSA-N 448.615 4.505 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCSCC(C)C 1705836934 KWPHULKUVJZXPI-UHFFFAOYSA-N 439.423 4.728 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(OC(C)(C)C)nc1 1705838845 FBRVMOHDGDIVCO-UHFFFAOYSA-N 428.540 4.736 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1705851040 RXXZXTJOLZOWST-HXUWFJFHSA-N 437.588 4.808 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1CC(F)(F)C1 1705864485 CUVJKYGQCHZCFG-UHFFFAOYSA-N 427.474 4.641 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1 1705866183 JMMSBIUJILRWCD-INIZCTEOSA-N 443.642 4.838 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1CCc1coc(-c2ccc(C)cc2)n1 1705874849 YKIYMGSYXIHADL-NRFANRHFSA-N 433.556 4.557 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCCCC1 1705877516 JTDRCQGTVKDIOR-UHFFFAOYSA-N 444.627 4.840 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(Cl)c(F)c1 1705893842 IGSIEPMVHNAKTC-SFHVURJKSA-N 449.958 4.965 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CC[C@H](CN3CCCCC3)C2)cc1 1705910051 PSBDMPZQJDTDFX-JTHBVZDNSA-N 437.632 4.717 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 1705911171 AMENJUIRRHGEKJ-NRFANRHFSA-N 440.588 4.527 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1706733831 AAIGXFZOTJKXJI-FXAWDEMLSA-N 430.512 4.503 30 10 IJEE C[C@@H](CCn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)N1CCCCC1 1706763597 DXMUUHSOPHGHAL-IBGZPJMESA-N 441.023 4.993 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)n1 1707839055 GMAHBVQJOQQVRE-JPYJTQIMSA-N 431.588 4.735 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC(C)(F)F)cc1OC 1709853681 DVSKWHQKEZMIQC-UHFFFAOYSA-N 433.503 4.528 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1710009100 AUPYWLHZCHQFGB-INIZCTEOSA-N 432.975 4.598 30 10 IJEE COc1ccc(CCn2c(CC(C)C)nnc2N2CCC(CC#N)CC2)c(Cl)c1OC 1711816418 GLELHGUBVQIFBK-UHFFFAOYSA-N 445.995 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(C)[C@H](C)CC 1722275162 CIACWSOJTINXFQ-AABGKKOBSA-N 446.039 4.877 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1CCC(C(F)(F)F)CC1 1722347042 YFODJCNACZRXLY-UHFFFAOYSA-N 442.432 4.985 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(CC(C)C)CC2)CC1 1722434562 VOAVRHRCVQPJEI-UHFFFAOYSA-N 433.644 4.824 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C2CCC1(C)CC2 1722454577 MTNREZWWNNQEOW-UHFFFAOYSA-N 440.613 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(C)(C)C)C1 1722504318 YYLQLWKRCMGAIX-YDHSSHFGSA-N 442.579 4.850 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CSCCS2)CC1 1722564397 PFIFGTAWVYMNIQ-IAGOWNOFSA-N 434.606 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@H](C)C1 1722589465 JQUXHRSDJSBBRE-OAQYLSRUSA-N 425.621 4.607 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCc1nc(C)c(C)s1 1722678838 ZYWIZBGEPJQQHK-UHFFFAOYSA-N 431.993 4.553 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccnc(SC)c2)C1 1722717140 FBWPQBIATIHPQF-LJQANCHMSA-N 441.988 4.545 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C 1740566800 BXQQMDOQLFVSHW-UHFFFAOYSA-N 447.974 4.629 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740602229 IHQUGMUDIMGBIW-RDJZCZTQSA-N 442.432 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1740775990 JWYFWCJVPUEIOR-QHCPKHFHSA-N 438.616 4.938 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740783096 MOBSTOVILQIZKC-FQEVSTJZSA-N 443.586 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1740820953 YDXBBPNGZHUZBH-UHFFFAOYSA-N 439.604 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC2(CCN(C)C2=O)CC1 1740846670 HCMQXWXSFARIMF-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1740877844 LDBJSOKPNHMEDU-UHFFFAOYSA-N 449.643 4.809 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCc1ccccn1)C1CC1 1740906273 FDCXZVYGXQTNCO-UHFFFAOYSA-N 438.373 4.809 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1740908164 NBMRMZPBECKYMB-RHSMWYFYSA-N 449.368 4.553 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCSCC(C)C)C1 1740977119 DKBVEOAAQIZKNW-FQEVSTJZSA-N 437.613 4.664 30 10 IJEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CC2(C(C)C)CC2)ccc1OC(C)C 1748516917 DEDJWTKXZKQFFM-UHFFFAOYSA-N 437.588 4.917 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1 1748687089 BSKCEQPXMVNSJZ-SFHVURJKSA-N 446.064 4.804 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@H](CC)C1 1748703772 ZKUOGPJNWHIBRW-DOTOQJQBSA-N 449.368 4.654 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1748706639 OYJGJVYBWJRTAC-UHFFFAOYSA-N 437.931 4.552 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1748760257 XPQQCUDUGUCWKB-QHCPKHFHSA-N 446.599 4.542 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1748760894 IWWDFIWLEQSKCQ-LEWJYISDSA-N 442.991 4.708 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1749102873 PDIBSEKPFCWFKY-UHFFFAOYSA-N 429.284 4.898 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCCC[C@@H](SC)C1 1749136443 NIXWSBFEUBHTRO-ZDXQCDESSA-N 440.657 4.766 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749419580 LELQZKXFCKGTAW-LPHOPBHVSA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1nc(C(C)C)cs1)C1CC1 1749510341 FFYHRYCWSRXKLY-UHFFFAOYSA-N 447.406 4.819 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1Cc1c(C)noc1C)C1CC1 1749510477 HSDVQHBZMYGXJX-UHFFFAOYSA-N 446.324 4.655 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCSC2(CCCCC2)C1)C(C)C 1749556996 FBTWEYZPIKZSAS-OAQYLSRUSA-N 431.694 4.795 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1749620757 QEHXGAPTLQBZLC-PMACEKPBSA-N 440.588 4.572 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1 1749746619 JASAAPVZAQFLQC-RBUKOAKNSA-N 436.984 4.805 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1760131792 ADCRJIGNUSPLEV-FQEVSTJZSA-N 435.959 4.800 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CC=CCC1 1760273817 DGAXGTRIZZGHKI-QGZVFWFLSA-N 445.430 4.867 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1 1760317367 FGBKATAKJFBNDM-FXAWDEMLSA-N 427.936 4.513 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760422894 NVVYBHQSPIMORK-HSZRJFAPSA-N 445.615 4.759 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760433011 XZOUDXDWKGEDQZ-PKOBYXMFSA-N 444.649 4.528 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760434826 NUZLDCPXIQTTLL-JOCHJYFZSA-N 433.604 4.599 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCN1CCCC(C)(C)C1 1760486783 YVUGFOWXRKBHPI-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCC[C@@H]1C 1760487237 MOIUMEYUEVCNAH-MHECFPHRSA-N 440.588 4.813 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760507394 CQEFCSDXCKZSMK-ZBFHGGJFSA-N 440.535 4.865 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760560523 XVOXIZDPPHQQNR-QIJUGHKUSA-N 426.630 4.743 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1761430903 BNVQXUMNDJWOAX-YADARESESA-N 441.023 4.851 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C1 1761544544 GRTTUFGXMIAPSN-FGZHOGPDSA-N 430.021 4.938 30 10 IJEE CCc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@](C)(O)c2ccsc2)cc1 1764451617 AWVFHYIEOAZASK-DEOSSOPVSA-N 435.597 4.607 30 10 IJEE CN(C)c1ccc(/C=C2\SC(=NN=Cc3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 1772758146 PHMNNETYGPUWHH-KGXKECERSA-N 446.532 4.558 30 10 IJEE Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)cc1Br 1858437955 PDZBLUXZLRFZEK-UHFFFAOYSA-N 443.326 4.569 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1OC 1860725155 WXPSLPBSUXCVGG-BUHFOSPRSA-N 433.460 4.726 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Br 1862422469 GCVLBKBFAMSDEB-QGZVFWFLSA-N 436.252 4.714 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c1 1862490273 ROPFSROZPRKKNU-XMMPIXPASA-N 445.490 4.969 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1862516608 RZPXVMXDEMIQJK-JOCHJYFZSA-N 439.508 4.511 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862558472 XUHCKTBEISKCQV-XMMPIXPASA-N 442.515 4.673 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(C)C)cc1 1862640892 UPRACYVWTJTZJX-JOCHJYFZSA-N 441.499 4.573 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1 1862651743 BSYMJHDLEAODJC-QHCPKHFHSA-N 443.499 4.861 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 1862673353 DDGVLPSENFXJER-IQMFZBJNSA-N 447.462 4.879 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862715442 VIYRAGCNAONOLZ-OSPHWJPCSA-N 429.516 4.922 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3ccc(F)cc3)C2=O)ccc1F 1863469814 ZXITVGOFLKPVGZ-UHFFFAOYSA-N 443.453 4.580 30 10 IJEE C[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1866763764 NGCJRKBUZDHSGA-INIZCTEOSA-N 433.458 4.502 30 10 IJEE CC(C)[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(F)cc1 1866971071 IYKRGRJEAJWNOP-RPWUZVMVSA-N 429.495 4.933 30 10 IJEE CSCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1cccc(C#N)c1 1867002250 YPNIDQXBHVGDTP-NHCUHLMSSA-N 441.984 4.582 30 10 IJEE CCCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 1867048308 XNSMJTWRZYYZQX-JOCHJYFZSA-N 446.576 4.928 30 10 IJEE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)NC(C)(C)C(=O)Nc1ccccc1C#N 1867181837 NZMUDQDBEXYWOY-UHFFFAOYSA-N 444.535 4.721 30 10 IJEE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(C#N)cc3)nc(C)n1)C2 1868494159 AMSUZEMQDRDDJZ-UHFFFAOYSA-N 429.524 4.715 30 10 IJEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870108407 FPTFNZCZUFTTPW-OAQYLSRUSA-N 441.922 4.816 30 10 IJEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 1870152887 PVXIVCMCBWWUEF-NTCAYCPXSA-N 449.514 4.987 30 10 IJEE C=CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870810819 TYPRHKHABHSFDM-VWLOTQADSA-N 446.547 4.783 30 10 IJEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870813933 LXKYFXFIUTUJEL-UHFFFAOYSA-N 431.536 4.649 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871345264 AXCRYYGVWWMMCO-OYKKKHCWSA-N 447.462 4.681 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)C(Cl)(Cl)Cl)c3C)C2=O)c1 1871363251 NTDZCTGXOODZFT-DHDCSXOGSA-N 427.667 4.895 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)COc3ccccc3OC)cc(C)c2C1=O 1871370435 LQNNSJRVORHJAB-QRVIBDJDSA-N 446.455 4.613 30 10 IJEE CCc1cccc(C)c1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872767824 AUCDRASHEMKDHD-VQTJNVASSA-N 429.545 4.910 30 10 IJEE Cc1ccc(C(=O)N2[C@H](C(=O)Nc3ccccc3C#N)CS[C@@H]2c2ccccc2)cc1 1873868396 ASJOCGKRUCTLBC-WIOPSUGQSA-N 427.529 4.762 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C(=O)OC(C)C)cc3)c(=O)oc2c1 1873977955 GFDVWWAKPHGABN-UHFFFAOYSA-N 449.503 4.803 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1cccc(F)c1 1874229230 ZEMUYRCKOOXECB-BUVRLJJBSA-N 426.517 4.945 30 10 IJEE CC(C)c1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCCO)cc1 1874268011 BGFROLIOWMUHGX-YDZHTSKRSA-N 430.961 4.601 30 10 IJEE CCCOc1ccccc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC 1874295092 JHMHLBGDZAPZRS-PXLXIMEGSA-N 425.514 4.560 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)c(O)c1 1874329745 CNUOJDXVTRWQNN-AFUMVMLFSA-N 436.581 4.945 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 1874426204 WFDRKTAHIKBFLF-PCLIKHOPSA-N 427.533 4.867 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(F)cc1 1874454655 SLVZUWFMTTYQPY-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc(F)c1 1874475341 VEECCCAJSXMTJZ-ZMOGYAJESA-N 429.496 4.512 30 10 IJEE CCCOc1c(/C=N/n2c(CC)nnc2SCc2cccc(F)c2)cccc1OC 1874524215 CICPLGBRDBWEPC-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2cnnc2SCc2c(F)cccc2Cl)ccc1Cl 1874539986 CGJOCQCSMMQKMV-QPSGOUHRSA-N 426.260 4.807 30 10 IJEE CC(C)Cc1nnc(S)n1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1874559244 GLLCQXOJSKLPKU-WSDLNYQXSA-N 445.386 4.989 30 10 IJEE Fc1ccccc1COc1ccc(/C=N/n2c(S)nnc2COCc2ccccc2)cc1 1874562842 VDZDRRJKYJNAKF-VULFUBBASA-N 448.523 4.884 30 10 IJEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(OC)c(C)c3)cccc2OC)o1 1874574685 ZLUJQHJDCQYLIE-DHZHZOJOSA-N 436.460 4.867 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1 1874597176 YDFMDNSADIOYLD-YRNVUSSQSA-N 429.472 4.680 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875120225 ISAWAULAQZPYSF-ACCUITESSA-N 433.416 4.727 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3oc4cc(OC)ccc4c3C)ccc21 1890879180 UCNZYYYREYRZMA-UHFFFAOYSA-N 434.492 4.940 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(-c4ccc(F)cc4)on3)ccc21 1890923603 DZANLOFJXYOJGE-UHFFFAOYSA-N 435.455 4.671 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3cc4ccccc4n3-c3ccccc3)C2)c1 1891611790 ITFFGMOKZNSLDT-NRFANRHFSA-N 436.515 4.828 30 10 IJEE CC1(C)OB(c2cc(F)cc(CN3CC[C@@]3(C)CCOCc3ccccc3)c2)OC1(C)C 1892546002 IAFNZJVYTHRCRW-SANMLTNESA-N 439.380 4.696 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)Cc2ccco2)c1 1915090684 NUEXCFFBODHLPZ-UHFFFAOYSA-N 433.357 4.790 30 10 IJEE C=C(COCc1ccccc1)[C@H](NN)c1cc(Br)c(Br)s1 1922048015 XLPNWESDONUKEX-AWEZNQCLSA-N 432.181 4.551 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)c1cc(Br)ccc1F 1922075478 XDUKJMHLOAKSAV-YADHBBJMSA-N 436.365 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(CNC(=O)OC(C)(C)C)nc1 1922238159 FWCHFWDHZYWDCX-HSZRJFAPSA-N 425.573 4.920 30 10 IJEE C=C(COCCC)[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947484522 KWYVQRGAZLFBHR-DHIUTWEWSA-N 434.621 4.838 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950375299 RGRXAILJDFLECY-SQJMNOBHSA-N 429.605 4.843 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1997233353 KMNJFHBQHQZNKX-IIBYNOLFSA-N 436.557 4.853 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(Cc2ccccc2)CC1 1997812975 MRMBJXVPEQUMMU-RUZDIDTESA-N 428.621 4.514 30 10 IJEE C#CC[C@H](C[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2076106916 MOYFOHYRLOSOIC-SDHSZQHLSA-N 441.660 4.820 30 10 IJEE C=C(c1ccccc1)[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076572253 IFCQDIXABWYCEX-DEOSSOPVSA-N 435.612 4.977 30 10 IJEE Cc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(O)c1 2079139423 WAXSFADGOLINQI-QGZVFWFLSA-N 435.309 4.886 30 10 IJEE Fc1c(F)c(F)c(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)c(F)c1F 2081462222 FKRGUGWJGCGXHT-UHFFFAOYSA-N 443.681 4.837 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(Nc2cc(Br)cc(F)c2C#N)CC1 2107453126 GUTWWKMOWIIVKA-UHFFFAOYSA-N 426.330 4.955 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2116076403 DQVMPUPJHHWHBM-FCHUYYIVSA-N 436.405 4.509 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)n1 2116150247 NSWXTXCMVZSSIJ-VXKWHMMOSA-N 436.405 4.509 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cc(C)c(Br)s2)CC1 2137168281 BRSVUJYJUAHWDC-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(F)c(Br)c(F)c2)C1 2142174315 KBKGLISKFOPPSK-MRXNPFEDSA-N 431.321 4.849 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)cc(C#N)c2)CC[C@@H]1C(F)(F)F 2174812535 MBDDVPAISMRGNZ-GJZGRUSLSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cccc(Br)c2C#N)CC[C@@H]1C(F)(F)F 2174813247 UBDVUTDDEAQVBC-GXTWGEPZSA-N 448.283 4.603 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2229034795 TXTMVQVJWYVRQN-REPLKXPHSA-N 442.365 4.506 30 10 IJEE CN(Cc1ccc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2232311490 JSEQGKHNOGSABZ-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C1(CCNC(=O)OC(C)(C)C)CCCC1 2235750018 QLSUXHOZKYXKTQ-IBGZPJMESA-N 435.406 4.864 30 10 IJEE Cc1cnc(Nc2c(Cl)cc(F)cc2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241051198 FLDHWSQDJWCKCK-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CN(Cc1cccc(I)c1)c1ccc(C#N)c(Br)c1F 2280258003 PPIAVLKMXNLAJO-UHFFFAOYSA-N 445.073 4.701 30 10 IJEE CC1(C)OB(c2cnc(NCc3cccc(Cl)c3Br)c(F)c2)OC1(C)C 2284371742 AVQAJZYTPCVIEW-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE C#CCN1C(=O)SC(=Cc2ccc(OCc3ccccc3)c(Br)c2)C1=O 2293579759 ABCPOTKOWAIJJU-UHFFFAOYSA-N 428.307 4.698 30 10 IJEE O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 2294377306 FVETYHHLGBKZLZ-QHCPKHFHSA-N 442.298 4.993 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2296222471 RZTFXPBPNUWFGP-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1c(F)cccc1I 2296257598 KYXRNGKGTJWUQP-OAHLLOKOSA-N 444.085 4.505 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2296294871 YLPXLDUXYXZTPI-RBUKOAKNSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](N)C#Cc1ccc(Br)cc1 2296303540 XLSDKEKAJMICLM-UXHICEINSA-N 435.406 4.992 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC1CC(NC(=O)OC(C)(C)C)C1 2296304115 CJZWHGAPQPQBOF-SYYJFZTOSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2296306786 LTKLZTOABPLQHY-WIYYLYMNSA-N 439.369 4.518 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]1C 2296308602 KJWMMMDSUYUKKL-PERKRYKHSA-N 435.406 4.862 30 10 IJEE CCOC(=O)c1ccc(N=C2SC(=Cc3ccc(N(CC)CC)cc3)C(=O)N2C)cc1 2297305238 DQFUPQPXXUZOTL-UHFFFAOYSA-N 437.565 4.943 30 10 IJEE CCOc1ccc(C=C2SC(=Nc3ccccc3)N(CCOC)C2=O)c(OCC)c1 2297460894 QSSALCBNGKPIME-UHFFFAOYSA-N 426.538 4.734 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2305322762 ODBZBHPKLBJDAJ-RNHFSVANSA-N 428.573 4.554 30 10 IJEE CCN(C[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317355874 XZFVXEWQEKQLOX-QGZVFWFLSA-N 432.370 4.751 30 10 IJEE OCCCSc1nnc(C2CC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2320882237 FKJOJYSECPSDJU-UHFFFAOYSA-N 442.972 4.745 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 2322224468 KNKBFNSIUZEPBX-HVRNZWLGSA-N 447.506 4.678 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1cccs1)C2=O 2324972481 NJTJJIIASRCXNB-UHFFFAOYSA-N 436.445 4.598 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)cc1 2328360617 SVPJYKYENHFDEJ-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE CCSc1nnc(CCc2ccccc2OC)n1N=Cc1cccc(Br)c1 2328685701 NZDSEQFUKISHRM-UHFFFAOYSA-N 445.386 4.829 30 10 IJEE COc1cc(C=NNc2ncnc3[nH]cnc23)ccc1OCc1ccc(Cl)cc1Cl 2328793015 HJWIDRSWPUNRJQ-UHFFFAOYSA-N 443.294 4.693 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2328813997 ONKWJJNLNZEDKS-UHFFFAOYSA-N 438.462 4.662 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(OC)c1OCC 2329847248 GMBLKVGXGPGZJM-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(O)cc1)Nc1ccccc1 2330230822 JNJOPAXMRKTFKC-UHFFFAOYSA-N 449.580 4.720 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1C 2330507125 GZYQGHKBKPNNPM-UHFFFAOYSA-N 449.624 4.800 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 2331030204 HHKAMQLUSWVKIN-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCC2)c1 2331493415 HLYMRWZXIWFBCY-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cc(C)ccc1O 2331612419 UPUXIIDYCNYKQU-UHFFFAOYSA-N 437.352 4.920 30 10 IJEE C=CC[C@H](Oc1cc(Br)nc(C(C)C)n1)[C@H]1CCN1C(=O)OC(C)(C)C 2335734486 FECRDDQUSIOMKO-KGLIPLIRSA-N 426.355 4.695 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)n1 2362163392 FBESFWRUOAMURP-IQFVJIFQSA-N 448.416 4.509 30 10 IJEE CC1(C)OB(c2ccc(COCCCCC(F)(F)F)cc2Br)OC1(C)C 2377331390 VRRAGQAXVRGPNQ-UHFFFAOYSA-N 437.105 4.998 30 10 IJEE O=S(=O)(c1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)cc1)N1CCCC1 33790650 POWJSJAGWXNSQN-LPYMAVHISA-N 446.985 4.694 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 39912137 IXFQBTDXLXLZEH-DEOSSOPVSA-N 447.535 4.928 30 10 IJEE C=CCOc1ccccc1NC(=O)CNc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 66096869 NGNGMWSAWNDATC-IBGZPJMESA-N 429.520 4.793 30 10 IJEE CCCCCCCCN1C(=O)/C(=C\c2c(NCC)nc3ccccn3c2=O)SC1=S 100884650 OYWMNLDKKAKMRX-BMRADRMJSA-N 444.626 4.688 30 10 IJEE O=C1CCCC2=C1[C@H](c1ccc(OCc3ccc(Br)cc3)cc1)NC(=S)N2 169939086 OGWSIMZFUKSYIL-FQEVSTJZSA-N 443.366 4.554 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccc(C)cc1 169944847 HNWXTVBEBWRSLC-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCOC)cc1 170034247 MFQHRSAQEMRYOJ-HSZRJFAPSA-N 448.519 4.572 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCO2 170081615 XUXRUBPSBHIXNO-JOCHJYFZSA-N 447.874 4.763 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccco1 170095899 UVSCTRGQUJPRNS-QHCPKHFHSA-N 442.471 4.591 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)cc1 170096389 MGGDJZFWZCIZCW-OAQYLSRUSA-N 437.879 4.763 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(N(C)C)cc1 170128976 IJBDEMQTHJZPSG-NRFANRHFSA-N 442.943 4.793 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(N(CC)CC)cc1 170138888 ZOOZIOHLCVLIAE-BXKMTCNYSA-N 448.563 4.845 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c1 170140493 ARNPTFBZVCEANU-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccnc2)cc1 170186003 AETFOMFVFKWKFK-QHCPKHFHSA-N 428.488 4.744 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170229392 MPHTZJGIFZPAQJ-JOCHJYFZSA-N 449.409 4.519 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cn(C)c2ccccc12 170269443 YMWCYOPTBREHDH-NRFANRHFSA-N 438.911 4.829 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2C)c1 170271385 VMYMFTZIWCIVDZ-XMMPIXPASA-N 441.483 4.858 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccco2)cc1 170279423 SFKYECJJDQLSAJ-HSZRJFAPSA-N 446.503 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(C)o2)cc1 170299417 RDSRNZPCCVGHIH-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301861 CDTHMNZKTFJSHA-QHCPKHFHSA-N 429.472 4.923 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCCC)c1 170324110 KQCDUIRLAXRTSN-OAQYLSRUSA-N 436.464 4.538 30 10 IJEE COc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(Cc3cccnc3)C1=O)OCO2 252617135 KMXSDOCGGMZWAS-JJXYLOODSA-N 445.500 4.623 30 10 IJEE Clc1ccc(CN2CCN(N=Cc3c(-c4ccccc4)nc4ccccn34)CC2)cc1 254440618 IEINEVGSOAXDJU-UHFFFAOYSA-N 429.955 4.806 30 10 IJEE Cc1[nH]c2ccccc2c1C(=O)CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1 440721682 KKTVSHXQGXSQAL-UHFFFAOYSA-N 435.487 4.819 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 475577820 IJRNHQPRGCHHFT-UHFFFAOYSA-N 449.642 4.952 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3c(F)ccc(Br)c3F)n2)c(Cl)c1 486121461 AYKBOTJAHONYTM-UHFFFAOYSA-N 437.631 4.690 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 516983506 CUTLLEGTRMBLMG-INIZCTEOSA-N 425.533 4.797 30 10 IJEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 526745059 XFWVCBMCLNKKKQ-JOCHJYFZSA-N 449.409 4.673 30 10 IJEE COC(=O)c1ccc(-c2nc(CNc3ccccc3Oc3ncccc3C#N)co2)cc1 541077787 YUXMPTSOVCNBIV-UHFFFAOYSA-N 426.432 4.799 30 10 IJEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 549668352 WHYQUAUGKDOMDA-QZTJIDSGSA-N 433.622 4.542 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 555263907 LGUMNENQMQFFLO-WJOKGBTCSA-N 448.514 4.914 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@H]1CCCN(c2ccc(F)cc2C)C1=O 604931072 CPMYPDGNBAVFLU-NRFANRHFSA-N 436.556 4.790 30 10 IJEE C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609252583 CBOOESSKCYLJLB-HNNXBMFYSA-N 434.446 4.649 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669817358 WASUHQLNQMFEHX-VXKWHMMOSA-N 434.588 4.876 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 689353032 XWLKSDBOOTYECY-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 698859526 HFPXARUOTBDDPS-JXQFQVJHSA-N 431.577 4.709 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCC2(C1)OCCO2 712794410 DRLINEHYYOCDAR-LJQANCHMSA-N 437.334 4.770 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]1C2 721770313 RXXSQCSNZIXKRM-SXGZJXTBSA-N 447.498 4.858 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccccc1OC)[C@H]1CCOc2ccc(Br)cc21 733335608 ZFURQWJJPGMPLB-KXBFYZLASA-N 443.341 4.687 30 10 IJEE O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)COC/C1=C\c1cc([N+](=O)[O-])ccc1Cl 741446956 DEGBEBXFWPXPAZ-ACFHMISVSA-N 435.219 4.876 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 745226791 BAEGXQOTLPXSGW-FRFSOERESA-N 430.476 4.644 30 10 IJEE COc1ccc(CNC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1C#N 746715038 VAXWXGWWKDMOBD-UHFFFAOYSA-N 426.929 4.652 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(C)n(-c2ccccc2Cl)n1 776516738 NBXOXDXCYLISHQ-SFHVURJKSA-N 434.927 4.920 30 10 IJEE C/C(=C\C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 778111184 VIORKLSMDDVFLT-NBVRZTHBSA-N 427.470 4.783 30 10 IJEE C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(C#N)cc1F 781420710 CNLVSBHRTWTQTJ-KSFYIVLOSA-N 426.536 4.680 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 782830596 FBXUQONMOMMAHE-UHFFFAOYSA-N 440.503 4.918 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(Cl)cc1Cl 787051300 HRCDGEXJJQAEDM-NZTWZVSQSA-N 437.273 4.961 30 10 IJEE CCCCC(C)=NNc1nc(SCC(=O)Nc2ccc(Br)cc2C)n[nH]1 1083908296 HGXLNRGYMWLEKR-UHFFFAOYSA-N 439.383 4.584 30 10 IJEE C=CC[C@]1(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)CCCN1C(=O)OC(C)(C)C 1128124048 QAVWQHNJDNQXQU-XMMPIXPASA-N 445.991 4.836 30 10 IJEE C=C(C)C[C@@H](NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)OC 1132197044 MAHWXTOMKXUZCX-JOCHJYFZSA-N 438.955 4.900 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccc1 1134655232 ZQZSHTBELJHSHU-GTYOFVGBSA-N 431.513 4.994 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)C[C@@H](C)C#N 1136270923 KCEFDEQVGYPVRB-UQBPGWFLSA-N 445.563 4.868 30 10 IJEE C=CCc1ccc(OCC(=O)NCC(=O)c2sc3ccccc3c2Cl)c(OC)c1 1153125099 AMVJOKJNJDZXKB-UHFFFAOYSA-N 429.925 4.670 30 10 IJEE C#CCC1(O)CCN(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1 1153262200 JRURMXHCUFWMMD-UHFFFAOYSA-N 446.334 4.628 30 10 IJEE C#CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 1164534936 KKEHJNIZJQAWNT-GOSISDBHSA-N 432.593 4.770 30 10 IJEE C=C(C)[C@@H](N[C@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC)c1ccc(F)c(F)c1 1169473373 OTWWAMKNUGTUOX-BFUOFWGJSA-N 436.524 4.999 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC(CC)CC)nc2sc3c(c2c1=O)CCCCC3 1187972114 HVCNUBRRXAYFPB-AWEZNQCLSA-N 433.643 4.698 30 10 IJEE C=CCN1CC[C@H](Sc2nc3cc(Cl)ccc3c(=O)n2-c2ccc(Cl)cc2)C1=O 1188243343 ICIRFLRILFZHEA-SFHVURJKSA-N 446.359 4.572 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(Cc2ccccc2)CC2CCOCC2)ccc1Cl 1190975900 HWNUKFORVFOREE-UHFFFAOYSA-N 439.987 4.824 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](c1ccccc1)c1nc[nH]n1 1214868252 AQNCQANALVKINE-QFIPXVFZSA-N 438.491 4.731 30 10 IJEE C[C@H](NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)C(=O)NC(C)(C)C 1219156600 AOQXQUSKLBRITD-ZDUSSCGKSA-N 430.961 4.788 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c1 1222004298 DHFSHVNJAGQCLS-AUUYWEPGSA-N 446.320 4.756 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(CN2CCC(C)CC2)cc1)c1ccc(Cl)cc1F 1222643713 NZYRQNIPKAJWKQ-QHCPKHFHSA-N 427.951 4.885 30 10 IJEE C[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1226074565 CQYHPFOINNMSBI-IRXDYDNUSA-N 430.474 4.564 30 10 IJEE C#CCC1(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CCCCC1 1227069740 KKZKJTSAIXSVQO-OAQYLSRUSA-N 432.008 4.517 30 10 IJEE C#CCSCCNC(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1228394038 WWCORUJOOFBNCF-NRFANRHFSA-N 431.399 4.573 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1231221477 NEFFRZUCKPCYPG-SFTDATJTSA-N 443.588 4.552 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 1251548372 SJYHKWVCOAQQRB-UHFFFAOYSA-N 447.409 4.617 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 1252449222 OGNPWAXWCZCRTR-PKTZIBPZSA-N 431.923 4.564 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(F)(F)c1ccccc1OC 1264905607 DYTSJKWYTHMYDV-UHFFFAOYSA-N 428.248 4.903 30 10 IJEE C=CCOCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1280400394 ONYFDZMLNDZIPV-UHFFFAOYSA-N 427.504 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN(C)C1CCCCC1 1286280087 ZLEGAMLAVZKACF-PMACEKPBSA-N 441.595 4.670 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1286333246 AFJTZMYGQOLGBN-UHFFFAOYSA-N 433.600 4.669 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC=CCC1 1286434381 YLYIJULZVQTHIN-QFIPXVFZSA-N 430.596 4.974 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)c1cccs1 1286461416 SGXWGIKKQWVDHD-HXUWFJFHSA-N 438.572 4.948 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CC(C)C 1286499394 QVLJGFMCFRSDLW-UHFFFAOYSA-N 435.435 4.865 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1cccs1 1286614014 IXLMVEGJLFMXMC-WOJBJXKFSA-N 432.634 4.877 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2c(C)coc2C)C1 1286800307 JGWOZLQRXGFXCA-MOPGFXCFSA-N 440.519 4.597 30 10 IJEE CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(COCC(F)(F)F)cc1 1287205662 GQSDYAPHUHSTNV-OAQYLSRUSA-N 435.494 4.659 30 10 IJEE Cc1nc(C)c(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@H](C)CC#N)s1 1290373835 CCMUIAMNCXKXLY-UONOGXRCSA-N 440.642 4.991 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CCCN(C)C(=O)OC(C)(C)C 1300798384 NIAPVTWOSOBCEA-RUZDIDTESA-N 437.588 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1300890192 FWWGJPSMBXANLI-MTQWNXOMSA-N 438.616 4.937 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1300945028 PHSYZSSQEMTYNH-JOCHJYFZSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1301114280 MWOISQMVRUHVIZ-TZIWHRDSSA-N 429.996 4.847 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnc(C)s2)CC1 1301133752 AQKJPRYYFHISOP-UHFFFAOYSA-N 429.977 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OC(C)C)CC1 1301140896 FVNJAFPQWZZVMV-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1301241092 NDLXYHGTNOYBJR-DEOSSOPVSA-N 437.544 4.773 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCO[C@H]1CCCC[C@@H]1C 1301278439 MDWAQGKVDBILGD-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCO[C@@H]1CCCC[C@H]1C 1301278440 MDWAQGKVDBILGD-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cnn(C)c1)C(C)(C)C 1302580900 BIVFBAXVVIIKSC-SFTDATJTSA-N 449.628 4.669 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 1304459897 OLQGCMWQUSETAN-QGZVFWFLSA-N 431.330 4.794 30 10 IJEE C=CC[C@H]1CCN1C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1304672882 YPLNKTMKSRMUAL-HNNXBMFYSA-N 444.457 4.611 30 10 IJEE CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1CCc1ccc(Br)cc1 1305405833 GXUJQASVMGJJHW-MRXNPFEDSA-N 430.394 4.927 30 10 IJEE Cc1oc(NC(=O)CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c(C#N)c1C 1307539148 CGYZSGJWZUCFBT-SFHVURJKSA-N 449.338 4.507 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1C#N 1310458125 CKWDTUSVZOERKP-HXUWFJFHSA-N 432.484 4.762 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc1 1311088894 AJAWRNKPPDVSTM-UHFFFAOYSA-N 432.427 4.558 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCCc2c1ccc(=O)n2C)c1ccc(C(F)(F)F)cc1 1312342157 MSEBWTIVAOYPEB-OALUTQOASA-N 433.474 4.788 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCSCCC(F)(F)F 1313158500 JCKVMFMZIMZHNM-UHFFFAOYSA-N 443.304 4.971 30 10 IJEE C#CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 1348545100 NWTLVGYWWHQSNG-AREMUKBSSA-N 427.500 4.504 30 10 IJEE CCc1cc(Br)cc2sc(NC(=O)c3cc(C#N)c(SC)nc3O)nc12 1349532343 LEZHQLLBQDYSDA-UHFFFAOYSA-N 449.355 4.568 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 1351694472 TZZZUSSPKDUNFK-UHFFFAOYSA-N 431.414 4.610 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)C/C=C/c1ccc(Br)cc1 1352520069 HHYGKBOKVVSLKG-FNORWQNLSA-N 445.309 4.982 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 1357756598 RMPZNCHJXIDQNY-UHFFFAOYSA-N 428.794 4.804 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)ccc1Br 1358078142 SEVNAGAZCLWXGT-UHFFFAOYSA-N 434.131 4.912 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1358443415 NCQQECRWYMZUGU-BQYQJAHWSA-N 440.343 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](c1cccnc1)C(C)C 1358871934 MDCQKYBVYTVOET-YDHSSHFGSA-N 435.547 4.850 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCCC2(CCOCC2)C1 1358917200 JOHRZPZWXMCMJT-UHFFFAOYSA-N 436.600 4.620 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCCCC=C 1358989078 ORHFDZHIWCGEPC-UHFFFAOYSA-N 429.337 4.666 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC(C)(C)C1 1359000760 DJLLBMVSSHZFRD-QFIPXVFZSA-N 437.632 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCCC1 1359112978 XFUWYQFINGIRBL-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1359216929 IEDYVBYRQIKODX-UHFFFAOYSA-N 426.952 4.564 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCCn1nc(C)cc1C 1359259673 DLIHXFBDXBJCKB-UHFFFAOYSA-N 447.562 4.519 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1Cc2ccc(Br)cc2C1)C(C)C 1359265039 WYFGLKRZALJEJW-OAQYLSRUSA-N 444.421 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)CCCS2)C1 1359314350 ZIKMTZYYUOQTGP-HCLVMJGWSA-N 446.592 4.624 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 1438264226 AUEDOOQCZXZZJP-UHFFFAOYSA-N 432.427 4.892 30 10 IJEE CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 1441608546 APDFJORQUFCLBA-CCDWMCETSA-N 430.548 4.637 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2F)c1 1463015164 FSAXFZUCUHNQMN-UHFFFAOYSA-N 444.325 4.965 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 1466209308 LESZOUINTYBCEK-UHFFFAOYSA-N 441.325 4.561 30 10 IJEE COc1ccc([C@H](CO)N(C)C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)cc1 1466569175 FJCZXHCVCIDAQS-QFIPXVFZSA-N 433.533 4.915 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1nc2c(C)cccc2o1 1466816895 OXCOHTCLJJKGQL-UHFFFAOYSA-N 430.302 4.828 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1470011742 VMXPRFKTVASRLD-HOYKHHGWSA-N 448.007 4.628 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1470385007 QGQZVKHFXDAANX-UHFFFAOYSA-N 437.625 4.715 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(CNc4ccccc4)cc3)CC2=O)cc1Cl 1472519517 DHQODTOQNBLGFZ-IBGZPJMESA-N 444.922 4.815 30 10 IJEE C=CCn1c(SC[C@H]2COCCO2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1472916569 UKZCXQPCLAXABE-DLBZAZTESA-N 433.643 4.851 30 10 IJEE C=CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)Cc1ccccc1F 1473118857 XUBTYQXFFJDSGV-UHFFFAOYSA-N 425.287 4.546 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1473169616 CCFASHUVKQBJTC-AABGKKOBSA-N 442.673 4.802 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)c1 1476103923 JAECITACSPDZSJ-OFCAXSSNSA-N 429.561 4.940 30 10 IJEE C#CCOc1ccc(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1476151261 XSGYDTIQKKVYIT-GOSISDBHSA-N 435.524 4.749 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC2CCCC2)nnc1N(C)[C@@H](C)CC#N 1492728363 BJKUFMJYFYVSST-SFHVURJKSA-N 431.588 4.600 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@H]2CSCCS2)c1 1504331044 FLVNBBMQCLFKCF-HXUWFJFHSA-N 445.658 4.568 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCCS1 1507704470 DBWPIOJWGPZLHW-XMMPIXPASA-N 426.630 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCn1cc(Cl)cn1 1507813416 YWRSBTQYCXWUCV-IBGZPJMESA-N 442.995 4.987 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCOCC)c1ccccc1 1507850250 DLYDCTMVTCPXOK-FGZHOGPDSA-N 426.605 4.773 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCC[C@H]2C)CC1 1507898254 WDEKISGFMZMHSY-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](CCC)OC)CC1 1507899837 VZCVDIBERAURFX-KRWDZBQOSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1507935073 MNQZAOVCEKOGLT-UHFFFAOYSA-N 432.559 4.989 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1507937963 VGYFDPRWVFDFAI-CYFREDJKSA-N 442.608 4.836 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC[C@@H](C)C1 1507982669 PLXYMECDFRDVEJ-HXUWFJFHSA-N 434.588 4.734 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1Cc1nc(C(F)(F)F)cs1 1508003124 TVKRMOXMSYKWTQ-UHFFFAOYSA-N 433.503 4.947 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(F)c(F)c1 1508034547 XJZQZLPPFPZKJR-QFIPXVFZSA-N 442.510 4.869 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1508153316 XODOYSZPGVSFAJ-OAHLLOKOSA-N 442.555 4.768 30 10 IJEE CCCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C[C@H](C)C#N)CC1 1514356886 AZUMOELABACYPB-GOSISDBHSA-N 444.624 4.569 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC)CCC2CC2)c1 1521352515 CIHMXIFKPDQJLP-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1524936793 HBWHUFUGEUJWHO-FQEVSTJZSA-N 445.469 4.731 30 10 IJEE N#CCc1ccc(COC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 1527007207 BTGASALTIMKEEO-UHFFFAOYSA-N 447.331 4.992 30 10 IJEE C=CCN(C(=O)c1ncc(C(F)(F)F)cc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1529014535 IWVADHYQYKXTOT-QGZVFWFLSA-N 440.849 4.556 30 10 IJEE Cc1ccccc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCC[C@H](C)C1 1537747282 BUFORSPMYWALOK-RPJCSTDNSA-N 429.564 4.903 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1538984608 MEUVVQOGHWAPEA-NJYVYQBISA-N 433.600 4.907 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1csc(C(C)C)n1 1539002868 JGNMJSZLUJOIRR-KRWDZBQOSA-N 446.580 4.881 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)OC1CCCC1 1539496720 HUKQJDMDOCVNKJ-MRXNPFEDSA-N 434.993 4.748 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCC)CCC 1539628765 SZEVFXDLMZWJKN-OFNKIYASSA-N 434.588 4.738 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC(F)(F)F 1539666378 XJPYFONJWOEDFL-UHFFFAOYSA-N 435.450 4.929 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1539854533 SBZFQVMEOBFYOI-URXFXBBRSA-N 438.616 4.897 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C 1540004573 BEJISEHIYKUKJE-OALUTQOASA-N 431.625 4.984 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)C(F)(F)F)cc1 1540106630 MUANNYFDCAZLGK-QGZVFWFLSA-N 430.831 4.575 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1540119369 CIKIUQBMQFSBEB-QFIPXVFZSA-N 443.599 4.722 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C 1540169054 YSSQQDPJYBDMSU-OALUTQOASA-N 429.609 4.617 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1CCc1ccc(Br)s1 1540193697 BOJCMVFXYJTCSR-UHFFFAOYSA-N 447.402 4.651 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C1CC(C(C)(C)C)C1 1540195837 JFXNFCDOHPZSEL-UHFFFAOYSA-N 434.588 4.767 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2c(CCCC)oc3ccccc23)c1 1540512923 QEJKMSGTCXVNFC-UHFFFAOYSA-N 437.561 4.845 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCSC[C@@H]1C 1540911268 VURAGWSWCQKUEV-AWEZNQCLSA-N 439.448 4.569 30 10 IJEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCC(F)(F)C2)cc1 1554893312 AXCJOBAYECEZSJ-XXBNENTESA-N 443.542 4.637 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1 1556214292 IGDSSINFMBSCHQ-UHFFFAOYSA-N 440.540 4.973 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)cc1OC 1560987918 BLVWJWIAPTWYDU-UHFFFAOYSA-N 436.980 4.746 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC 1562784115 CCEPMQHQAXBCAK-UHFFFAOYSA-N 442.368 4.985 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1 1566487693 OSSTUAVXNAQVBW-QFIPXVFZSA-N 440.588 4.864 30 10 IJEE C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1586043501 HSYJIBZCYWWYJN-SECBINFHSA-N 447.182 4.764 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Oc1ccc(Cl)cc1C)c1ccccc1 1586782353 IPSCKHPCESPFOM-JOCHJYFZSA-N 427.928 4.572 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC(C)CC1 1587574102 BJPLSQGKFXPZFA-QFIPXVFZSA-N 444.627 4.772 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@@H](C(C)C)C1 1587793693 QYBLVEURSCGGKD-OAQYLSRUSA-N 444.670 4.960 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@](C)(O)C1CCCCC1 1588181386 SQEFKCCSZZKUBV-SHQCIBLASA-N 432.612 4.614 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1589316422 BOEJUPIHKULSRA-ROUUACIJSA-N 449.393 4.502 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1589317052 JQQDQOJSMCXVIK-CQSZACIVSA-N 427.293 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)C1 1589505940 PUFAUOLINURUAD-IEZWGBDMSA-N 431.378 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1594511077 KGVMUGKUVDGYKD-FQEVSTJZSA-N 448.590 4.720 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)CC1)c1ccccc1 1594551932 CPOXPEVKKWQYLL-NRFANRHFSA-N 449.624 4.866 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C(C)C)N1CCCC1 1594857910 TXPWWZBKFUJNDQ-NQIIRXRSSA-N 432.012 4.814 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCc1ccncc1 1595099768 IHMHFSQADIYRKV-UHFFFAOYSA-N 440.576 4.632 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCCCO1 1595133827 NCAXYTYXUSVWOQ-IRLDBZIGSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC[C@H]1C 1595149450 ONVUZHOMANEWOF-MOPGFXCFSA-N 438.597 4.880 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC(C)(C)C1)C(C)C 1595170597 FJVIUZUNQNJWHG-FGZHOGPDSA-N 429.653 4.845 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCCCC2)C1 1595850038 HZAAAEFQYUYLEO-UHFFFAOYSA-N 427.574 4.933 30 10 IJEE C#C[C@@H](NC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1)c1ccc(Cl)cc1 1596953953 JYVXFRQIMFTNDB-MRXNPFEDSA-N 433.726 4.894 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(C3CCC3)n2Cc2cccc(COCC(F)(F)F)c2)C1 1611767058 GNXHHMXRRNZGSP-JOCHJYFZSA-N 447.505 4.803 30 10 IJEE COc1cc(CS(=O)(=O)c2ccc(Cl)s2)ccc1OCc1cccc(C#N)c1 1613667217 FDJORIYYJAIQEG-UHFFFAOYSA-N 433.938 4.835 30 10 IJEE COc1cc(CN[C@H](C)c2ccc3nc(O)oc3c2)ccc1OCc1cccc(C#N)c1 1620466460 HBSSXAIELXPUPH-MRXNPFEDSA-N 429.476 4.843 30 10 IJEE CC(C)N1CC[C@@H](N(C)C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1625884187 GKSKIAWEHUPRFL-CQSZACIVSA-N 429.380 4.922 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 1630314537 PDKXBVYSYMHNGQ-UHFFFAOYSA-N 428.467 4.656 30 10 IJEE CCOc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(F)cc(C#N)c2)cc1OCC 1648807328 AEFSNYQKPNGESV-UHFFFAOYSA-N 432.451 4.978 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(CCNc3nc(C#N)c(Cl)s3)cc2)cc1 1650676396 AXCIDRSFNHBMKN-UHFFFAOYSA-N 426.929 4.649 30 10 IJEE C=C(C)COc1cc(CN[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)ccc1OC 1656758676 BUSFLGUQVOGHSJ-NRDMVMEKSA-N 430.589 4.916 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 1657948309 LKPSCQNRUNTZGX-UHFFFAOYSA-N 431.355 4.592 30 10 IJEE C#C[C@@H](NCc1cc(Br)cc(Br)c1N)c1ccc(Cl)cc1 1658240957 UXSWJYNYERJJFX-OAHLLOKOSA-N 428.555 4.911 30 10 IJEE C#CCN(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@H]1CCCc2ccccc21 1658622411 HBVNPSKNRLOEDR-VWLOTQADSA-N 429.564 4.786 30 10 IJEE C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(OCc2ccc(F)cc2)cc1 1661951172 GSMIAHAOCLDHHT-HNNXBMFYSA-N 444.915 4.969 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 1669020266 YGGXCJWWVAKRBA-KRWDZBQOSA-N 430.348 4.820 30 10 IJEE C=CCN(C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl)[C@H](C)COC 1670367318 OUWVESVPAGSACR-CYBMUJFWSA-N 430.858 4.908 30 10 IJEE CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1672083448 DIDPENHNLVQGAM-QFIPXVFZSA-N 435.572 4.649 30 10 IJEE C#C[C@H](NC(=O)NC/C=C\c1ccc(Br)cc1)c1ccc(Br)cc1 1673024573 CVNAWTULDIXSPI-JXCVUKRWSA-N 448.158 4.899 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC)c1ccc(F)cc1 1676068086 AUHDMHFTCZRXMT-LEWJYISDSA-N 435.465 4.901 30 10 IJEE C=CC[C@H](NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccncc1 1679333352 FNVYOOVEUBCACZ-XQQFMLRXSA-N 443.338 4.511 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1682070967 BLMGVBCPJUMDMV-HUUCEWRRSA-N 427.998 4.793 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1)c1ccc(F)cc1 1682479287 BHUAPYBYYDVSPG-DEOSSOPVSA-N 434.467 4.809 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 1683854368 DDFSBLYRMWAURS-NZQKXSOJSA-N 426.532 4.868 30 10 IJEE C=C(C)CN1CCC(NC(=O)NCc2c(Cl)cc(Br)cc2Cl)CC1 1684024407 BNPKPBMPYTWFFI-UHFFFAOYSA-N 435.193 4.596 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(I)c(C)c1 1686316775 GIHTUSHRIKSDIM-UHFFFAOYSA-N 438.284 4.637 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCCC1(C)C 1689831567 MXPMKHDWZDCRLN-XHCCPWGMSA-N 445.611 4.752 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1CCN(CC)CC1 1689839347 GBESRKAWPYFOSI-MRXNPFEDSA-N 434.415 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)OCCc2sccc21 1689840200 UVVXHVQGWKFBJI-RCDICMHDSA-N 444.963 4.745 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@](C)(CC)C1 1690165782 JOVOHQUOZWWCID-HXUWFJFHSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN1CC 1690192496 ALVYTPHRTYVWIR-XLGIIRLISA-N 435.616 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(COC)CCCCC1 1690268463 MIAXTBPQKDUGNJ-UHFFFAOYSA-N 436.604 4.516 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@H]2CCCO2)CC1 1690301841 ZJKGXYARLHKJNC-DNQXCXABSA-N 438.616 4.808 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NC2CCCCC2)CC1 1690404585 KBHQUMPEPXJIJG-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(CCOC)CC2)CC1 1690415517 NYPPARLFTRFZHI-UHFFFAOYSA-N 430.980 4.730 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(=C)CC1)c1ccccc1 1690447182 LNZZGHIKPZITCN-NRFANRHFSA-N 447.608 4.786 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCc2cccs2)CC1 1690475029 BXYPKBVMOUEPQU-UHFFFAOYSA-N 435.641 4.900 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690492049 NXWKTLKSKKZPHO-UHFFFAOYSA-N 434.588 4.732 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1CC1CCOCC1 1690579537 NHIZDRDTPLCUDK-UHFFFAOYSA-N 438.597 4.558 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](C(C)C)C2)cc1 1690680728 ZXKYMSLAXIQIJI-HXUWFJFHSA-N 437.613 4.729 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCc1csc(C(C)(C)C)n1 1691006030 HTWXXPKYWFRFME-INIZCTEOSA-N 440.592 4.601 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](c1cccnc1)C(C)C 1705479638 KLOONUPIYSEQTC-KNQAVFIVSA-N 439.567 4.628 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCCS1 1705503393 WENKRKXKZSUDEH-KOSHJBKYSA-N 426.630 4.898 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1CC 1705515539 GWZHAJCWLGRRLY-PMACEKPBSA-N 429.609 4.575 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1Cc2ccc(Br)cc2C1 1705536593 RWXXTYXUJGUMSQ-UHFFFAOYSA-N 427.371 4.627 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)CCC(C)C 1705541323 GANHROJNPKEPNR-YADARESESA-N 447.023 4.945 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CSCCS1 1705617857 JYHQTTYQLWJAJJ-QGZVFWFLSA-N 439.075 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1C[C@@H]1C 1705676525 DYBPVZMDJNMXFG-WVMBUTMQSA-N 426.992 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@](C)(O)C(C)C 1705677109 BNACOXKIXNCUQW-FTJBHMTQSA-N 438.616 4.688 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccoc1C 1705691228 CHNWKXKCXCACHT-UHFFFAOYSA-N 445.361 4.920 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(OCCCOC)CC1 1705722477 NHSLWYJGHYCNJR-GOSISDBHSA-N 444.645 4.729 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC(F)(F)Br 1705871849 ADQHBKZOHGBZFB-UHFFFAOYSA-N 436.304 4.603 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CCCS1 1706927800 CDQYOWAUTQJRNN-RTFZILSDSA-N 443.592 4.973 30 10 IJEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)CC1 1710041431 GLGDSOHMHSETHO-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1712185984 CIYFMRHHVGBRMJ-SFHVURJKSA-N 429.515 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(CC)s1 1722276562 IDOMMIADGZDPMD-ZDUSSCGKSA-N 447.377 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@H]1C(=C)C 1722300548 ZYIFOQGAUHLLBU-WATLYSKOSA-N 436.600 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H](C)C1 1722493881 ALQXOYCHFMIYDN-LEDOBFOHSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)C/C(C)=C/c1ccccc1 1722504349 GDRJJQBEJJYDAX-KHIADDDWSA-N 429.568 4.861 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](CCC)OC)CC1 1722562782 LHFCRHPVDNXLKM-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@H]1CC(F)(F)CO1 1722662199 DQDUAWVNEQJWPK-OAHLLOKOSA-N 434.487 4.763 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCc1ccncc1 1722665895 PKOMCUYFOATAOE-UHFFFAOYSA-N 442.336 4.663 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC(CC#N)CC2)cc1 1722705446 YUARUNUTMDNBSE-UHFFFAOYSA-N 433.581 4.674 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCSC1 1740559291 ZSOKUMQAFSYXHO-WOJBJXKFSA-N 426.630 4.890 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1740582587 FTWLLAPNYSIANE-HNNXBMFYSA-N 442.361 4.655 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCN1CCCC 1740602717 ZNBWXDKVCAYLNO-OAQYLSRUSA-N 430.600 4.526 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCSC1(C)C 1740659152 KJZXHPYRXGJFBC-FQEVSTJZSA-N 438.666 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(CC)C1CC1 1740726218 WBTHTCCLLJDEEE-MHECFPHRSA-N 442.007 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCS1 1740728186 QECADEWGCCFOAX-FOIQADDNSA-N 449.393 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740733829 SKIZUPOTSARLQB-XCRWMPKNSA-N 433.644 4.566 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC(F)(F)F 1740753072 FHRNRAFLYBUFPZ-DOTOQJQBSA-N 428.886 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](CCC)C1 1740758729 BHJZOODIORRYEK-WPYKKVEZSA-N 445.007 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCC(=O)Nc1cccc(Cl)c1C 1740772264 HCLOWMVVLJQWDW-FQEVSTJZSA-N 445.995 4.913 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1740834980 FYFAAMHIEMDAHR-UHFFFAOYSA-N 431.462 4.905 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1740860219 XKSATDCJTICBNM-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1740883276 OWQMFCLJGJKXEW-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@@H](C)C1 1740915061 SYAIZABVWYIACM-LEWJYISDSA-N 444.583 4.553 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CC(C)(C)C1 1740917071 GDUMMIVAWGPROQ-AREMUKBSSA-N 438.616 4.948 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC(C)(C)c1ccccn1 1740935114 BZHWVRALVYJYTK-UHFFFAOYSA-N 438.579 4.948 30 10 IJEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1741444246 DCWRFCCMKUMEOL-XUZZJYLKSA-N 434.632 4.517 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1748739088 VURBWAATLJFSGW-QFIPXVFZSA-N 449.986 4.635 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1nccs1 1749024419 PTDBNQQUTXYBMX-UHFFFAOYSA-N 443.667 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(CCOC)CC1 1749054698 XDWORJQDWFTASY-FDDCHVKYSA-N 442.991 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1749072152 HGPFRLVBYMJEJI-AZSVPQILSA-N 433.644 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1749124965 RWMPGWYNWKIVOK-UEXGIBASSA-N 430.593 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC(C)(C)C 1749146306 BVHMSACVEVYWPC-UHFFFAOYSA-N 438.403 4.959 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1749366404 FIPMYEZNMACSNQ-IBGZPJMESA-N 439.560 4.852 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(C)(C)C 1749449275 KKUCBWFOABDBFM-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCS[C@H](C)C1)C(C)C 1749557064 GFBIXAJPNKFJJA-GGAORHGYSA-N 439.673 4.894 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC(Cn3cc(C)cn3)CC2)cc1 1749683384 RIIPJWAXFBYOOM-OAQYLSRUSA-N 448.615 4.826 30 10 IJEE C=CCSCCn1c(N2C[C@H](OC)C(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1749763658 FRQXIDOPHXZOJH-FQEVSTJZSA-N 426.630 4.529 30 10 IJEE N#Cc1ccc(-c2nnc(N3CC[C@@H](c4ccco4)C3)n2CCSC(F)(F)F)cc1 1750382149 BMEMFHPIPCLIHO-MRXNPFEDSA-N 433.459 4.657 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C2CC2)c1 1760125149 OOJNKIYODACVEC-GCJKJVERSA-N 449.599 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(CC)C[C@@H]1CCCO1 1760315897 KBBRNPSBPNIRHC-SBFWRKJZSA-N 438.616 4.807 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1760322197 PGLZLURLSBBIRH-PZJWPPBQSA-N 429.634 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCC[C@@H]1CC 1760330537 GQYRAYCWGYCRJH-SFHVURJKSA-N 449.441 4.703 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC(C)(C)C1 1760411517 OAHCNPJFKWWNLQ-SFHVURJKSA-N 448.615 4.667 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760432972 XQQKZGFNBBRTEF-QGZVFWFLSA-N 444.486 4.588 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@H]1CC 1760448045 WKNNEUGDKGIRHW-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)N(C)C1CCCCC1 1760456968 BGJQUAMNPUSAPJ-QGZVFWFLSA-N 441.645 4.545 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1Cc1csc(C)c1 1760485401 BCUMTDKITFCFAA-QFIPXVFZSA-N 444.626 4.603 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1cc(C)cc(C)c1 1760501701 ZGFSXMNGMGFMBN-HSZRJFAPSA-N 434.584 4.860 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1760507060 CVPLTHNDDBOPIU-UHFFFAOYSA-N 442.361 4.578 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1760514236 YKBZCPUALYKFAW-TYPHKJRUSA-N 437.588 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCCC[C@@H]2CC)C1 1760537163 KNOQRSOBABYWPU-BJKOFHAPSA-N 437.632 4.553 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CC)CCCC2)C1 1760538976 XLKGVPQKSDHLNP-QGZVFWFLSA-N 448.409 4.787 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1761077494 AYPNBGKLLFKIEB-IFMALSPDSA-N 448.615 4.667 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1C(=O)O 1857891614 ZSRAXWRAARODDP-UHFFFAOYSA-N 446.519 4.844 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2F)cc1 1862391361 YSBOJLBFHXQAAH-QFIPXVFZSA-N 425.500 4.783 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862458736 UORTWCHVOGYMFR-FQEVSTJZSA-N 431.410 4.633 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2F)cc1 1862474100 KPCQERFMSXUKDL-HSZRJFAPSA-N 431.463 4.791 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1c(F)cccc1Cl 1862480230 ARYTXVQAJTYSQO-FQEVSTJZSA-N 431.891 4.792 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 1862505230 MIAFLCVDMLUMBZ-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(CC)cc1 1862524886 PSBCDGSPMCNOLZ-IBGZPJMESA-N 426.310 4.776 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2)cc1F 1862636359 FOZWIONQFYQFDY-QHCPKHFHSA-N 431.463 4.655 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862676914 UNNWAACDYQHICX-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C 1868705560 MSKQDKZYCOIXOK-RTWAWAEBSA-N 437.049 4.908 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@H](C)c1cccc(Cl)c1 1868996023 XXEVOFWNRAAOIS-MBSDFSHPSA-N 442.962 4.901 30 10 IJEE CCn1cc(OCCOc2ccccc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870161342 MAKYRZKYIFPVMJ-UHFFFAOYSA-N 449.576 4.810 30 10 IJEE CCCCCCCOc1cn(CCCOC(C)C)c(CN(CCO)CCCC)cc1=O 1870412020 VZBSRMDTBDHLTB-UHFFFAOYSA-N 438.653 4.607 30 10 IJEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870454391 PJODXWUYRXIBDO-VXKWHMMOSA-N 438.612 4.923 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(CCOc1ccccc1)CO2 1871346481 IPOXIJLSSPUGAK-UCQKPKSFSA-N 431.463 4.981 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871364409 BPHWWKFIHMDWBI-UUYOSTAYSA-N 431.419 4.928 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871416387 ZRASXBCHTNYVMJ-XKZIYDEJSA-N 445.427 4.885 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 1871763190 VTANABHWETVCIP-JOCHJYFZSA-N 432.561 4.898 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)C1CC1 1871945901 MFIKRJGWNVWOLT-SFHVURJKSA-N 433.401 4.717 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccccc1 1872066370 UOBPNULXXDARIE-JOCHJYFZSA-N 432.561 4.898 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872205345 SZAJXOHACFJYPS-QHCPKHFHSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872517938 DBSPZYPSZJSAHL-NRFANRHFSA-N 428.598 4.823 30 10 IJEE N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccccc2Cl)cs1 1872764229 HUZSKOMCGADXSP-FUHWJXTLSA-N 435.936 4.688 30 10 IJEE CCOc1cc(/C=N/Nc2cnn(C)c(=O)c2Cl)ccc1OCc1cccc(Cl)c1 1873526267 VVSFTHMAWFHCCX-BHGWPJFGSA-N 447.322 4.511 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641842 PANZUZXMWSDSLL-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE Cc1ccc(C(=O)N2[C@H](c3ccccc3)SC[C@H]2C(=O)Nc2cccc(C#N)c2)cc1 1873866937 OIOOQBNKVZQRSN-DHLKQENFSA-N 427.529 4.762 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccccc1C(=O)O 1874253799 LFCYVWGOOLYTQA-LFVJCYFKSA-N 438.553 4.681 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccco1 1874399579 TVBLKYWFUJNCLC-WCIBBKAISA-N 439.585 4.646 30 10 IJEE COCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874470298 XSWREMXDGCNSRZ-WSDLNYQXSA-N 445.932 4.512 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(O)cc1 1874475166 MNTNKHKOFTYCAX-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)cc(OC)c1O 1874494524 QSSWVPIXNOYLGG-WYMPLXKRSA-N 442.516 4.582 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N(CC)CC)c(OCC)c1 1874589309 FGJPHRMQOZODAC-DTQAZKPQSA-N 425.525 4.627 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 1874631379 YZCMKUOZNMFRNP-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(F)cc1 1875148032 YBQJIADWHYASLU-XNWCZRBMSA-N 434.419 4.721 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1c1ccc(C#N)cc1 1890994737 HYWKFRRZMQFPTM-PMACEKPBSA-N 448.375 4.897 30 10 IJEE CCN[C@H](C#Cc1cccs1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1900787745 ATZXLFVKILCIQA-RTWAWAEBSA-N 428.598 4.578 30 10 IJEE Brc1cc(N=C2N[C@H](CC3CC3)CS2)ccc1I 2029989226 JWXRSFGVIGNIDF-SNVBAGLBSA-N 437.144 4.546 30 10 IJEE COc1c2c(nc3c(-c4cc(C(F)(F)F)cc(F)n4)c(C(F)(F)F)nn13)CCCC2 2081197149 XGWIQXSZGJWDDJ-UHFFFAOYSA-N 434.315 4.855 30 10 IJEE CC1(C)OB(C=C2CCN(Cc3ncc(Br)cc3Cl)CC2)OC1(C)C 2127191258 ROMQWFWLSFRVDF-UHFFFAOYSA-N 427.579 4.651 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1C#N 2174566458 WKDYWSWXGAZFBZ-HEUOYEKWSA-N 434.378 4.588 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3cc(Br)cc(F)c3C#N)CC2)CC1 2174808060 JRZSTMQDEMQEEO-UHFFFAOYSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1ccc(C#N)cc1Br 2226203168 WAPIREQLEKMILP-ZDUSSCGKSA-N 430.293 4.767 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2235730888 PILYBQSIDJOSDZ-AZUAARDMSA-N 433.390 4.592 30 10 IJEE C=CCCC1([C@@H](NCC)c2sncc2Br)CN(C(=O)OC(C)(C)C)C1 2254994700 SLICOLVGHCCQPU-HNNXBMFYSA-N 430.412 4.760 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2255852952 KDCLTIPYBIDFOA-FHLIZLRMSA-N 430.354 4.693 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)c(F)c(Br)c(F)c1F 2267837754 LGMAJUMGTWHKQD-VXJOIVPMSA-N 441.263 4.735 30 10 IJEE CN(Cc1ccc(I)cc1)c1ccc(C#N)c(Br)c1F 2280331411 QKNLIIXBQLINJY-UHFFFAOYSA-N 445.073 4.701 30 10 IJEE CC1(C)OB(c2cc(F)ccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2282141535 JEJVDPXGTZFMBO-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CCN1C(=O)C(=C2Sc3ccccc3N2CC)SC1=NCCCCCCC(=O)OC 2295201768 ABZLJDPAEHRVLR-UHFFFAOYSA-N 447.626 4.863 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](N)C#Cc3cccc(Br)c3)CCCC[C@@H]12 2296216171 IATMISFFCORTGF-JQVVWYNYSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C(=O)C#Cc3ccc(Br)cc3)C[C@@H]21 2296268826 IZZWZAGDASOOBP-LNLFQRSKSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@H](N)C#Cc2ccc(Br)cc2)C1 2296287937 ATDRKNFVTOVJIW-IEBWSBKVSA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296296238 LUPXZQJEIVWPGB-CVEARBPZSA-N 449.311 4.624 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296297233 WQJOGIVOTSVECP-MOPGFXCFSA-N 437.422 4.964 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CN(CC(F)(F)F)C(=O)OC(C)(C)C 2296308910 OHYAMDDGNNCZIL-MRXNPFEDSA-N 449.311 4.578 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1c(Cl)cccc1Cl 2321178260 ZVSLXEOLNBQXDZ-UHFFFAOYSA-N 445.335 4.717 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2321937402 UMBSKPZKBZSRJE-UHFFFAOYSA-N 431.463 4.845 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(Cc1ccccc1F)CO2 2322056985 HTQYBCRGIIBFSG-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCc3ccc(C(=O)OC)o3)cc(C)c2C1=O 2325382743 MGTUAFMNDVFBIG-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326238576 RJVBTYMGMHOWCR-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE CCOc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccc[nH]1 2326838942 UGKNGVCYBLITKX-UHFFFAOYSA-N 447.564 4.801 30 10 IJEE Cn1cccc1C=Nn1c(CCCOc2ccccc2)nnc1SCCc1ccccc1 2328746545 SYZNUGLEHKXCMZ-UHFFFAOYSA-N 445.592 4.845 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2cccc3ccccc23)cc1C 2329453320 XBCVJKSBEMZWQM-UHFFFAOYSA-N 430.577 4.996 30 10 IJEE CC(=O)NCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc2ccccc12 2330766964 OTJGKXIYTHTTCG-UHFFFAOYSA-N 443.576 4.859 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1C 2330857288 JKRKFALDRXTTPU-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1C 2330867308 PYLXVQBBYWULHV-UHFFFAOYSA-N 447.443 4.792 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OC)c1 2331183672 WVSOVDPSMIUMFC-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)cc1O 2331417888 XUPWNHICOSMUNU-UHFFFAOYSA-N 434.924 4.954 30 10 IJEE C[C@@H]1[C@@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339578338 FUSXTVQVVBRAAE-ASLVEYIASA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@@H]21 2339578436 GZEDJITUAOGPKP-XSYYMCAHSA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2339587616 XFQQGDGTHIJKBA-XSYYMCAHSA-N 441.381 4.536 30 10 IJEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588248 FQDCODZTMYJSPV-DUVHGLKDSA-N 445.413 4.808 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@H](N)C#Cc3ccc(Br)cc3)(C2)C1 2360196924 ATPHTTHKPCSCPC-SFGWALBWSA-N 433.390 4.555 30 10 IJEE Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccccc21 3042816 MCTKSJISFVIJBR-QYQHSDTDSA-N 432.524 4.680 30 10 IJEE CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(Cl)c3)N(CC)C2=O)cc1 14403329 GROKCKCBMCEKEA-GOTYSUTNSA-N 431.945 4.719 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)NC[C@H]2CCCO2)cc1 22691451 YVLIHEORFPESQF-OAQYLSRUSA-O 442.649 4.540 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ncccn2)cc1 39838792 AWUBQYSPZUWHEW-JOCHJYFZSA-N 439.471 4.514 30 10 IJEE C=CCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(C[C@H]2CCCO2)c1C 43251579 VPFPZDJOMIITFY-LJQANCHMSA-N 437.565 4.690 30 10 IJEE C=CCN(C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1nc(-c2ccccc2)cs1 46549979 FEHSIFSHJXVWHL-SFHVURJKSA-N 437.590 4.943 30 10 IJEE COc1ccc(/C=N\N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 47137568 WURNRXJBTRCRAY-ZJHZAIRNSA-N 435.480 4.934 30 10 IJEE CCOC(=O)CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59310306 BLFZAPHXTGOFGF-WYMPLXKRSA-N 429.505 4.803 30 10 IJEE COc1cc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)ccc1O 102905853 MHRSCWLCSGGACG-AGGMBTAESA-N 435.863 4.681 30 10 IJEE CCCN1C(=O)/C(=C\c2ccccc2OCC(=O)O)S/C1=N/c1ccc(OCC)cc1 105458093 ASUXVJNCCUDUFT-TWGQILOBSA-N 440.521 4.563 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(O)cc2)cc1 169957746 ACXRPXBZWGWADD-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccn2)cc1 169995156 HTKIZEPIWUEFQU-DEOSSOPVSA-N 428.488 4.582 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@H]3c3ccccn3)nc2c1 169999975 KDJHWBUPQAQARC-JOCHJYFZSA-N 438.487 4.666 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccnc2)c1 170000602 BJYNAICKZKGHIY-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(C)o1 170102940 WPXQYZWZKSZDGJ-HSZRJFAPSA-N 449.478 4.865 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170119379 KTRIVDLQTMZBQV-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(N(C)C)cc1 170129472 HOBWUFGXWZVPFF-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)cc1C 170130413 OALTYASKUYGMNL-OAQYLSRUSA-N 435.501 4.549 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 170166953 DHSKFFOOAIBURO-LJQANCHMSA-N 438.436 4.574 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 170239624 NXWVEWDGHWBRMJ-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(F)cc2)cc1 170239927 NWQXWDITZFFROY-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)cc1C 170257017 CFOKMFCLRTVBHR-JOCHJYFZSA-N 449.528 4.858 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2C)cc1 170272467 OKQTYGCNFCSXBI-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1sccc1C 170319290 OWWAIJKTVXUALU-IBGZPJMESA-N 429.538 4.842 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccncc1 170368696 YVYSYXPGNHFDSF-LJQANCHMSA-N 441.270 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccncc1 170406458 PDARCRFGXOPPRO-LJQANCHMSA-N 435.277 4.627 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)c1 170432502 XCURYXODOZXNIA-HXUWFJFHSA-N 433.508 4.704 30 10 IJEE Cc1ccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 441979129 PUTHZZIZAVGZPS-KRWDZBQOSA-N 431.467 4.657 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 468087160 QNVBYGKPXUJLST-UHFFFAOYSA-N 443.507 4.553 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)nnc1-c1ccco1 483024739 QSRAVQFOCQLMQF-QHCPKHFHSA-N 440.544 4.536 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 508794655 LMQBSKYMLKHESP-IQGLISFBSA-N 434.515 4.769 30 10 IJEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 508917022 AUVILPUEPRGXBZ-INIZCTEOSA-N 436.903 4.812 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 513633656 OHDUBFOAVUIVEF-QFIPXVFZSA-N 426.469 4.809 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H](CN3CCCCCC3)C2)c1 514234560 PPNKPTAQNRQWDT-HSZRJFAPSA-N 431.580 4.865 30 10 IJEE COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526522122 PJGUUKJBMACPGG-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE COc1cccc([C@@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccccc2C#N)c1 526607048 MJNVIQIKIPYZJC-XMMPIXPASA-N 442.471 4.641 30 10 IJEE C=CCc1cc(CNC(=O)NCc2sc(-c3ccccc3)nc2C)cc(OC)c1OC 589682863 BIBCVJKZEODOHL-UHFFFAOYSA-N 437.565 4.864 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670202071 CEHOOQYMUHNOOO-QFIPXVFZSA-N 434.588 4.705 30 10 IJEE C=CCC1([C@H](NC)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722921628 ZMYJFLMXACFEFF-MRXNPFEDSA-N 431.321 4.801 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cc1OC 732166437 ODGMEACTUSSOFK-LJQANCHMSA-N 445.585 4.526 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(F)c(Cl)c1 733200072 ACDZJWHDDWZBIJ-IBGZPJMESA-N 443.931 4.771 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@]3(C)CCCN3C(=O)c3ccccc3)n2)cc1 735205701 GDVOTXNZROTAPL-CJFMBICVSA-N 429.545 4.990 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(C)C(=S)N[C@@H]1c1cnc(-c2ccncc2)s1 753384665 SXPBQLIQOWHZDJ-GOSISDBHSA-N 440.981 4.720 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(OC)c(Br)s1 759207654 VKIWINRHYMYHKB-CYBMUJFWSA-N 435.343 4.605 30 10 IJEE N#C[C@H](C(=O)[C@@H]1CCCN1c1ncnc2ccccc12)c1nc2cc(Cl)ccc2s1 783068992 BVMFRPFPPAEHFC-QAPCUYQASA-N 433.924 4.738 30 10 IJEE FC(F)(F)Cn1cnn(CN2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1=S 800862706 WOQKFYQOFLQBTJ-CQSZACIVSA-N 428.377 4.523 30 10 IJEE CC(=O)N(c1nc(/C=C\C(=O)c2cn3c(n2)CCCC3)cs1)c1ccc(F)cc1F 806564079 JALFUZPQWSNYCH-VURMDHGXSA-N 428.464 4.535 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2CCn3c(cc4ccccc43)C2)c1=S 812299944 HUEIOXYOHLQWKR-UHFFFAOYSA-N 431.565 4.607 30 10 IJEE C#CCO[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2 1124211216 LPOXGIXBSBWNRB-CYBMUJFWSA-N 446.366 4.597 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(OC)cc1)c1ccc2c(c1)OCCO2 1124369185 ZJKGPCSIUYJOCW-UHFFFAOYSA-N 445.515 4.807 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1125778978 BOZOQRCOYNFHIF-GGAORHGYSA-N 436.527 4.796 30 10 IJEE C=C(C)[C@H](NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)c1ccc(F)c(F)c1 1128140163 IBVXSOMLDXNFIK-NRFANRHFSA-N 426.467 4.688 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCSC[C@@H]2c2nccs2)s1 1128155730 DZJWAGCZDSZBHI-GFCCVEGCSA-N 432.061 4.612 30 10 IJEE C#C[C@H](NC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)nc1O)c1ccc(F)cc1 1141326039 ZBOKRISOJVCFQW-QFIPXVFZSA-N 429.495 4.961 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)c1ccc(Br)cc1 1141460987 LVFCQWVXCYZMTE-MSOLQXFVSA-N 437.378 4.521 30 10 IJEE CC(C)[C@H](C#N)N1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 1143456631 ACUQYBQEGLKMLR-QFIPXVFZSA-N 427.633 4.612 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 1143653441 ZMKMETLKJLQNEP-NRFANRHFSA-N 438.593 4.515 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccccc2)C(=O)OCC)nc2cc(Cl)ccc2c1=O 1164458880 OLIQIXRXJANBNP-IBGZPJMESA-N 428.941 4.502 30 10 IJEE C=CCOc1ccc(-c2nnc(SCc3cc(Br)cnc3OC)o2)cc1 1165809075 RZZFPVMANAIHQO-UHFFFAOYSA-N 434.315 4.760 30 10 IJEE C#CCN(C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H]1CCOc2ccc(Br)cc21 1167421108 OSUSVFOIKLXODH-YXJHDRRASA-N 432.280 4.708 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@H](C)CC(=O)Nc1cc(OC)ccc1OC 1182272953 YGSYFJZOUORTSW-CQSZACIVSA-N 449.345 4.860 30 10 IJEE CC1CCN(C(=O)OC[C@@H]2CCCCN2Cc2cc(C#N)ccc2Br)CC1 1194152422 AOICDPQXHGIHSI-IBGZPJMESA-N 434.378 4.544 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 1214815382 MFRNNBMQKDXTNY-UHFFFAOYSA-N 438.380 4.964 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 1215267963 WBGRHJPFKKFPPD-KDURUIRLSA-N 432.492 4.654 30 10 IJEE C[C@@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1219885689 HXDPPIVPXBDYLC-ZMZPIMSZSA-N 425.357 4.849 30 10 IJEE C=CC[C@H](NC(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccncc1 1222021775 OVZOXMIRJIEYBJ-KRWDZBQOSA-N 436.737 4.719 30 10 IJEE C=CCc1cc(CNC(=O)[C@H](C)Cc2ccc(Br)cc2)cc(OC)c1OC 1264830910 AYLDOSRDJPZUMP-OAHLLOKOSA-N 432.358 4.690 30 10 IJEE C=CC[C@H](OC(=O)c1cc(=O)n(C)cc1Br)c1ccc(Cl)c(Cl)c1 1270227746 CVYJSSIDBDBRSO-HNNXBMFYSA-N 431.113 4.929 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C(F)F)C1 1286338471 DKJXCFFYYKFYMC-INIZCTEOSA-N 437.332 4.911 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cc(C)on1 1286555332 XOIYDSLLRQFYDN-MZYLBHOOSA-N 435.572 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286676828 SGJNFGACLOXUHJ-LJQANCHMSA-N 442.629 4.871 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC(C)C)nc1 1286718204 AXGOBVNPOPLIIS-KRWDZBQOSA-N 437.613 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1Cc1csc(COC)n1 1286747093 JIBGCRIGTIPMIZ-UHFFFAOYSA-N 427.549 4.529 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(CC(C)C)C1 1286752384 YVHZBUDXQAFBJU-RBBKRZOGSA-N 443.661 4.752 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCOc2ccc(F)c(Cl)c2)C1 1288976931 GLSMBTSWVKDYKS-JOCHJYFZSA-N 431.943 4.937 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(I)c(Cl)c3)cc2n1 1289215521 KNWLYERTIOGJAN-UHFFFAOYSA-N 437.668 4.733 30 10 IJEE Cc1ccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)N(C)C)cc1 1289484220 BMFDSJDUTTVGDB-XMMPIXPASA-N 434.632 4.752 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)C1 1291101809 BUNDCLWMBKBWAM-SFHVURJKSA-N 442.558 4.563 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@@H](COC)C1 1300348401 KNDKSEHYQGXAEU-GOSISDBHSA-N 445.405 4.764 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1300421934 CIRYJGVQGUXHFU-AREMUKBSSA-N 438.616 4.963 30 10 IJEE C#CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](CC)c1ccccc1 1300778374 UDMAMJLPOLASMO-RTBURBONSA-N 442.539 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)[C@H](C)c1ccco1 1300893199 YDJAXJNTQBOYJA-REHUZNOOSA-N 436.556 4.671 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(C)(C#N)CC1 1300896986 MMZSKUKPFHBHEI-ZJSXRUAMSA-N 449.599 4.531 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CCOC)CCCC2)CC1 1301075453 FBBLHEPAQAUSDT-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301141261 KLELURGBBPLOBB-FQEVSTJZSA-N 446.599 4.591 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(C(C)C)CC1 1301175879 LATBXXIUORDQHJ-UHFFFAOYSA-N 433.604 4.612 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1ncccc1C)C1CC1 1301317767 YNDNBQRGTAGBHZ-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC2(CCCC2)C1)C(C)C 1301367240 MCHODBORYMJPDE-HSZRJFAPSA-N 434.632 4.809 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CCCCC1 1301399744 UCCQXXCVSCQUJC-SANMLTNESA-N 433.600 4.840 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(C(C)C)CC2)cc1 1301525902 KLCZNERWHCJXRA-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CC2(C)C)C1 1301541654 AYJAFCKCWKJAGN-ZWKOTPCHSA-N 445.405 4.843 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(C)(F)F)cc2)C1 1301567005 RKBMQSKGNGRIRR-FQEVSTJZSA-N 444.551 4.872 30 10 IJEE C=CCn1c(SCCCC(=O)N2CCCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307238396 ZIAIJXKBEVMKAY-INIZCTEOSA-N 445.654 4.654 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N[C@@H](c3ccc(Br)cc3)C3CCC3)C2=O)cc1 1307623078 HMFJQMABBICPAI-FCHUYYIVSA-N 438.369 4.947 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c1 1310189050 XXJTWQIRMVLOMC-HXUWFJFHSA-N 441.528 4.648 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1cccnc1Oc1ccc(OCCC)cc1 1310573138 PUHRUPMIMJBKRD-UHFFFAOYSA-N 431.492 4.996 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 1312541804 ASFDTFGOSGZUAL-SFHVURJKSA-N 433.474 4.691 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21 1313195050 GQAYRQOWSVBOAO-PWRODBHTSA-N 427.342 4.807 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@H]2CC)cc1OC 1314163561 CCGUOQIBPOEHFC-QWFCFKBJSA-N 425.577 4.917 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2ccc(OC)cc2)cn1 1353817929 LPCKOAWMDHPXFC-UHFFFAOYSA-N 449.459 4.625 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1(COC)CCCC1 1358941856 ACEXDAFVXGVFJO-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC=C(Br)C1 1359048845 CGBVYBDNEKFROU-IBGZPJMESA-N 445.430 4.675 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359050921 HKUQULOKSBXFBB-GDBMZVCRSA-N 434.487 4.692 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCOCCC=C 1359074028 NWSZHFDZCKYHGP-JOCHJYFZSA-N 449.382 4.749 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1359118357 DFWBXKRESOISLH-KRWDZBQOSA-N 446.477 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1359186512 IXPOBKUHNZHDMF-FQEVSTJZSA-N 440.979 4.512 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1359186538 JVWDPXMQSFRGIR-NRFANRHFSA-N 432.616 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@]1(OC(C)C)CCOC1 1359192033 UGRSGBQZRWTVGI-VWLOTQADSA-N 426.605 4.866 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359200664 MZNCTYNNTMJOFN-QHCPKHFHSA-N 430.980 4.729 30 10 IJEE C=CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCSCC(F)(F)F)C1CC1 1359247921 UFIWLQCCVCLIDJ-UHFFFAOYSA-N 448.518 4.786 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1nccs1 1359277693 SQKOEBNKNBHTRB-HKUYNNGSSA-N 427.574 4.608 30 10 IJEE C#C[C@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1F 1436654898 PQPJERNMDZUBRO-XZOQPEGZSA-N 432.882 4.667 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1444797698 DXXRBFLNJMNYTH-LSDHHAIUSA-N 428.982 4.551 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1ccc(Cl)cc1F 1449317604 NBONVKOTBXFRTH-RDTXWAMCSA-N 445.922 4.697 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1OC 1452655355 JKJQFSFVBAAIKH-XFFZJAGNSA-N 429.520 4.623 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1457781354 SJKZXXJTMMRSNV-KRWDZBQOSA-N 439.364 4.975 30 10 IJEE C=CCN(C(=O)c1cc(C(C)C)n(-c2ccccc2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1458994652 GJDQERWIVTVOTA-RUZDIDTESA-N 445.563 4.798 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C(C)(C)C)cc1 1459193927 VKGTWBKIGVXWOU-UHFFFAOYSA-N 434.496 4.786 30 10 IJEE CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 1459530138 HPOMJUITZHSMNC-UHFFFAOYSA-N 433.430 4.971 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CNC(C)(C)c2ccccc2F)cc1 1460170120 FBZZMAJUBFJIDW-UHFFFAOYSA-N 434.515 4.577 30 10 IJEE Cc1c(Br)cc(CN2CCN(c3ccccc3C#N)CC2)cc1Br 1462042298 DAIAVUKHJGQRRQ-UHFFFAOYSA-N 449.190 4.714 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(F)c(Br)cc1C 1464641965 RNTTXAXLKZCGSD-IBGZPJMESA-N 436.346 4.598 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCC3(CC3)C2)c1 1467330420 QXYWQVXVXLEHHM-UHFFFAOYSA-N 444.984 4.738 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1470074412 JWOQJMBTKXRRHK-CVDCTZTESA-N 426.582 4.969 30 10 IJEE Cc1cccc(COc2c(C)cc(CN(C)CC(=O)NCc3cccc(C#N)c3)cc2C)c1 1473165128 HKMQITKTCDIGLZ-UHFFFAOYSA-N 441.575 4.811 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)C1CCOCC1 1476419937 MEBQUWXMZHIWES-INIZCTEOSA-N 448.976 4.831 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCCCc1ccc(Br)cc1OC 1478289566 CXTHGZCMJYQDLR-FQEVSTJZSA-N 431.374 4.877 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCCS1 1498080400 AIBRWARGPKMCFD-GBXCKJPGSA-N 439.629 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccnc(SC)c1 1507522422 VSAXOYVRGJUZAX-HOTGVXAUSA-N 437.638 4.755 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1507574025 LEDPCOSDTZCCKO-QZTJIDSGSA-N 432.515 4.712 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](c1cccnc1)C(C)C 1507606919 BRWYKLDCGQJQNW-FQEVSTJZSA-N 438.373 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C(CC)CC)N(C)C 1507663479 ZYLNKJKZSLHIFJ-QFIPXVFZSA-N 431.584 4.521 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(CC)(CC)SC 1507699779 JPDVYCFFAKAUJQ-SFHVURJKSA-N 449.665 4.731 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccoc1 1507749474 WASPLUZWAAZNLP-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](CC)OC 1507819165 ONJNDAUWYMUDJI-OAHLLOKOSA-N 425.346 4.674 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1507824418 BYLCLVSMVKUECD-NRFANRHFSA-N 436.629 4.796 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1507846522 OCBTTYALDUPTQB-UHFFFAOYSA-N 425.335 4.500 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1507853145 ANXGYMFJAVTRQO-UHFFFAOYSA-N 437.975 4.696 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 1507918980 ANPATCOVHCGBAO-RZUBCFFCSA-N 444.583 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1507922853 HYQFBWXFWOGGKO-RTBURBONSA-N 431.650 4.876 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1507943494 YYXVQBQEWBDMJA-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(CC)CCOCC1 1507985637 KWTPFRFLYUWKLS-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@](C)(O)c1cccs1 1507985739 MRJMHHXQLFUDQC-XMMPIXPASA-N 440.613 4.880 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)N(C)C1CCCCC1 1508011490 GDEYFLGWZDOZKB-UHFFFAOYSA-N 445.970 4.707 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCC1(F)F 1508027654 MSGGOCLTEPQTJC-SFHVURJKSA-N 427.499 4.994 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1 1508162956 RRDVQMDDVDNAFX-INIZCTEOSA-N 426.964 4.923 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(Cl)s1 1513679821 CIXDCHHDHJXTIL-UHFFFAOYSA-N 441.988 4.923 30 10 IJEE C=CCOc1ccc(COC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)cc1 1514993936 MHBSNRZYTJYXMX-UHFFFAOYSA-N 427.298 4.865 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCSC(F)(F)F 1518000858 GBCWNBNKZMRKTD-LLVKDONJSA-N 433.887 4.598 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C 1521258310 BRUNSZBGXXYIOK-LJQANCHMSA-N 428.298 4.839 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1Cl 1523617483 AZRRRBBDLZQQPM-UHFFFAOYSA-N 440.952 4.651 30 10 IJEE C#C[C@H](C)N(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1524696909 QDWAAXXGIYZFOP-SFHVURJKSA-N 432.593 4.804 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)c1 1524796865 BDVSLTLORHEFTM-FYYLOGMGSA-N 447.000 4.886 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cc(Br)cn2)cc1 1526381122 DTWAUMZFSPHYFJ-UHFFFAOYSA-N 437.341 4.618 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 1528685322 GSYPEPYNBXCLCD-UHFFFAOYSA-N 437.425 4.939 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 1531613091 VNHJSYJEDNYMMF-INIZCTEOSA-N 426.509 4.881 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)C3(c4cc(C(F)(F)F)ccc4Cl)CC3)CC2)cc1 1538547107 AFOYHZOAOBJZCE-UHFFFAOYSA-N 447.888 4.606 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCSC(C)C 1538985117 WLENDJCWKSYTMY-ZDUSSCGKSA-N 441.826 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1539035881 VDWNFEPJQFVDLJ-CZSZKKDXSA-N 439.673 4.847 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1539085273 KASCVRLWJXITHD-DNQXCXABSA-N 448.611 5.000 30 10 IJEE C=CCC1(NC(=O)Cc2ccc(I)c(Br)c2)CCCC1 1539235582 NWXZKJPQPGGPNI-UHFFFAOYSA-N 448.142 4.601 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(OC)CCCCC1 1539343448 JXLWCRVSGRBGBZ-SFHVURJKSA-N 430.980 4.880 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1539587243 AGBCUZWLQOUGFF-GASCZTMLSA-N 449.393 4.743 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)C2CCCCC2)CC1 1539877978 NAOYOCZGRNPLLA-DEOSSOPVSA-N 439.560 4.587 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC(Cl)=C(Cl)C1 1540028178 KSKMJUNCTCLPIT-UHFFFAOYSA-N 444.366 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)C(F)(F)F 1540054171 LYNGLEVPBGJLKT-UHFFFAOYSA-N 447.299 4.927 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1540854076 FARVOBZVVNJILZ-QFIPXVFZSA-N 445.615 4.554 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(C=C)cc2)C1 1540887161 QYHBLWBAXQHWEB-OAQYLSRUSA-N 435.959 4.661 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CN4CCC[C@H](C)C4)cc3)n[nH]2)c1C 1543327763 QBGLECYROHVUBJ-KRWDZBQOSA-N 432.572 4.560 30 10 IJEE C[C@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)CCO1 1543634719 FURDAKUOGRZFOU-PMACEKPBSA-N 437.588 4.560 30 10 IJEE COc1ccc(Cl)cc1NCCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1546137814 FLJFEZRZQJCACE-UHFFFAOYSA-N 430.295 4.500 30 10 IJEE CCc1nc2ccccc2n1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1546292043 AYRKIQDUAAEKSJ-UHFFFAOYSA-N 428.467 4.827 30 10 IJEE Cc1c(Br)ccc2c1N(C(=O)c1cc(C)n(-c3cccc(C#N)c3)n1)CCC2 1583301525 HIPKQNCWCYMYCF-UHFFFAOYSA-N 435.325 4.716 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnc(OC)c(Br)c1C 1584122580 PCVRDLUTZGVXDX-UHFFFAOYSA-N 445.235 4.997 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1cccc2ccccc12)[C@H](Cc1ccccc1)C(=O)OCC 1585020196 HPFLNDJXVYVLJW-GBXCKJPGSA-N 431.532 4.796 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CC(=O)N(c3ccc(CCC)cc3)C2)C(F)(F)F)cc1 1587315397 MQQHGZMVCAXYNH-DENIHFKCSA-N 429.438 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)N(CC)CC 1587575616 ZCBSDZBSYJRCQX-PXNSSMCTSA-N 425.964 4.733 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc([C@@H](C)OC)n1 1588284722 YUDZZXVEQMKULF-QGZVFWFLSA-N 437.613 4.914 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C)[C@H](C)C1 1588984170 GLHQGWHSCMGKSR-QFUCXCTJSA-N 426.630 4.884 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2CCC[C@H]21 1588985206 QHKWCXDGUMDDKS-CMKODMSKSA-N 428.577 4.693 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)CCOC 1589599958 QHDLTHFMPLJCMR-UHFFFAOYSA-N 438.414 4.511 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1593764004 UGRKXXVCPBQLNM-LJQANCHMSA-N 426.605 4.939 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1CC 1593764029 VEBRRZOQTUKLOX-GOSISDBHSA-N 449.393 4.591 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OCC)C1 1593841361 XYFMOBKXZOSRJR-INIZCTEOSA-N 439.785 4.774 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(CC)C1)c1ccccc1 1594552647 PRUNMDOMUPLPHI-KSZLKVKMSA-N 438.616 4.988 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1594572970 MWRUIMUAEPPLPQ-UHFFFAOYSA-N 440.979 4.573 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC(c2ncc(C)s2)CC1 1594797872 JNNRDXQIRBEBAF-UHFFFAOYSA-N 441.576 4.826 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC1(F)F 1595094121 ODFWSKLPQNSICB-FQEVSTJZSA-N 449.509 4.625 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CCC 1595127297 LTWLUJAIENYDIP-HSZRJFAPSA-N 448.590 4.936 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1595170868 LIGPFBXWJRPBQZ-SQJMNOBHSA-N 426.653 4.695 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1595906016 VUAKGNSTNJDADP-DUXKGJEZSA-N 428.602 4.645 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C(F)(F)F)CCC[C@@H](C(C)C)CC3)cc2C1=O 1597295163 QFEUIZMKENNNMA-QRQCRPRQSA-N 436.474 4.736 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1612777715 BJWOUQUTBAYHKK-NHCUHLMSSA-N 432.616 4.687 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(C)CCO[C@H]1C1CC1 1619100999 BZTQFMKINCWUGM-ZNRXUEPQSA-N 443.979 4.551 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 1623075307 GRMLJMOPIUWQQK-GOSISDBHSA-N 438.597 4.733 30 10 IJEE C=CCC1(C(=O)N2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)CCCCC1 1623806770 MMLRKIYAMBDTKS-UHFFFAOYSA-N 439.625 4.990 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 1623822010 YJWCPZKFDRCZHI-LJQANCHMSA-N 426.340 4.743 30 10 IJEE C=CCNc1ncc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)s1 1628220204 QZAWIWSMDJYLKG-UHFFFAOYSA-N 433.577 4.529 30 10 IJEE CC(C)(C)[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccccc1 1628497621 DICHZHVUNONBGS-DEOSSOPVSA-N 442.567 4.567 30 10 IJEE C=CCC[C@H](C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)c1ccccc1 1634038845 GZTOKLOISDFDOT-QYZOEREBSA-N 440.506 4.898 30 10 IJEE C=CCC[C@H](NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1 1636822137 ZVPYJIWIMAKHDK-VXKWHMMOSA-N 438.572 4.892 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N3CCCN(c4ccccc4Cl)CC3)o2)cc1 1640305674 IBXGMMRXFXHBJL-UHFFFAOYSA-N 435.911 4.736 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)Cc2ccn(-c3ccccc3)n2)n(C2CCCCC2)c1C 1641653137 GORUVOVPIODLLV-UHFFFAOYSA-N 444.583 4.738 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 1642539789 DMQJMCCMXRIJGQ-KKSFZXQISA-N 434.483 4.740 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nnsc2Cl)c1 1647871683 ZDRKIJFEWALVLN-UHFFFAOYSA-N 437.912 4.861 30 10 IJEE Cc1ccc([C@H](NC(=O)Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)C2CC2)cc1 1652062619 BBKKAWKUFHWDQN-QFIPXVFZSA-N 437.952 4.678 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCCC[C@H]2CC)nc2sc3c(c2c1=O)CCCC3 1652458742 QEWMSFDHQXWUPG-JKSUJKDBSA-N 445.654 4.795 30 10 IJEE CSc1ccc(Br)cc1CCNC1CCN(Cc2ccc(C#N)cc2)CC1 1657055476 AEFTVKACZRDCNC-UHFFFAOYSA-N 444.442 4.839 30 10 IJEE Cc1c(S(=O)(=O)NCc2ccc(OC3CCCCC3)nc2)sc2ccc(C#N)cc12 1666962793 DFKRDUCZOQNGBW-UHFFFAOYSA-N 441.578 4.666 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(F)cc(C)cc1I)c1ccc(Cl)cc1 1669672000 OWAISFSBYOBZSR-OAHLLOKOSA-N 442.659 4.888 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 1670422419 FCQJGYFHWSJTRH-UHFFFAOYSA-N 433.533 4.754 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)[C@@H]1CCCc2ccccc21 1673238789 IRKRMGIMKMFWSB-NBGIEHNGSA-N 429.564 4.987 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(Cl)cc1F 1673239711 VEIPUNCRQNLTBI-QVKFZJNVSA-N 427.907 4.731 30 10 IJEE C=CC[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccncc1 1679334174 JQJWETQZKPNZFX-YADHBBJMSA-N 438.572 4.826 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCc1cc(Cl)ccc1Br 1680549828 FARHTIWLILUNEN-IBGZPJMESA-N 432.749 4.893 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCCC=C 1690039970 ZDOOZSYTQVVNFY-UHFFFAOYSA-N 441.373 4.535 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1690048341 IGOHMDMAWXBCFE-NZQKXSOJSA-N 439.003 4.581 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H](C)c1ncc(C)s1 1690088615 RFWHFQTVTRZVGW-KRWDZBQOSA-N 448.571 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCC1CCN(CC)CC1 1690193859 UHMSXINKXRDERJ-RPLLCQBOSA-N 433.644 4.934 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690220897 DPQVAIIVMKEYRH-DOTOQJQBSA-N 437.769 4.512 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H]2CCC[C@@H]21 1690223144 GHLWMXGKXLMBOE-SJORKVTESA-N 447.377 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1690241173 PILBRZWRCSFFBN-VXNXHJTFSA-N 438.616 4.740 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(CCOC)CCC2)CC1 1690369312 FXGNPLIVOFKHEF-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@H](C)C2)CC1 1690374399 USRGJAZDKUKKNF-PCCBWWKXSA-N 443.636 4.985 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccnc(SCC)c2)CC1 1690382167 DVTBYCBNVRGRTM-UHFFFAOYSA-N 435.597 4.877 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CC[S@@](=O)C(C)(C)C)CC1 1690402923 VJVLQROKHCNXBT-SSEXGKCCSA-N 426.586 4.641 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(CC)CC2)CC1 1690417204 IRWASLAKGQGOBS-IBGZPJMESA-N 429.609 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)CC1CC1 1690428667 XTWNUIIDFLXVAJ-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690432675 IXFKNXBEPOGCHS-HXUWFJFHSA-N 427.641 4.594 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C(F)(F)C12CCC2 1690515784 UJTDSXJOFFUBHN-VQIMIIECSA-N 432.515 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCc1scnc1C 1690570214 ZLBJBQKJSUQHOI-UHFFFAOYSA-N 434.544 4.679 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1nc(C(C)C)cs1 1690607133 FARODCIFGIMUNE-FQEVSTJZSA-N 441.601 4.976 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCCC2(F)F)cc1OC 1697332616 ASMQOWKFABBYDG-RDJZCZTQSA-N 433.503 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1CCC(OC)CC1 1705477441 OGOYKDYVDJQHNZ-DENAFPEJSA-N 428.552 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCSC(F)(F)F 1705478318 ZPKBJBJZTZMUAT-OLZOCXBDSA-N 432.899 4.782 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1705478370 AJFXHQWKWRZVLH-XPWALMASSA-N 447.671 4.963 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC2(CCCCC2)O1 1705505432 KJLUDDCOLJLARJ-XRXFAXGQSA-N 428.621 4.537 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(C)ccc21 1705533191 VFBZDESPQMBFEC-OAQYLSRUSA-N 449.599 4.809 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(Cl)s1 1705573584 JUQDSUJCMAIKTH-OAHLLOKOSA-N 445.375 4.908 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)CC#N 1705653428 HCTJMERGKFUMKI-AWEZNQCLSA-N 430.002 4.918 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C)C(C)(C)C1 1705702940 PLUYNTXXUGKPAX-IZIIKQMZSA-N 438.616 4.731 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1cccc(C)c1 1705705285 GAHXGOAPLTTZCY-RCZVLFRGSA-N 438.616 4.816 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1705756262 WJWBPZRFRCZMFY-CRAIPNDOSA-N 447.744 4.920 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1705778572 BEZVJXBQDRDHKV-XMMPIXPASA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705791452 WLECUWQEAARTJW-VXKWHMMOSA-N 435.572 4.572 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCO[C@@H](C)C1 1705801899 VONZKKPRUHBUIT-INIZCTEOSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1705861297 AXPAXMGUPPYGIB-UHFFFAOYSA-N 427.593 4.584 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)c1nccs1 1705881973 HRFROTMLZFRPLT-CQSZACIVSA-N 435.956 4.637 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705887551 MXUNBPOOBWXJFP-GFCCVEGCSA-N 429.334 4.827 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 1705943202 QUBHDXQDYAMSCK-IBGZPJMESA-N 439.629 4.607 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@H]2C)cc1 1710533389 APZIUWUZGKQJOF-UAFMIMERSA-N 425.577 4.849 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](CC)N1CCCC1 1722301651 DDZREFMVDCWPLA-MJGOQNOKSA-N 432.037 4.556 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@H]2CCCO2)CC1 1722328699 XJBZUZKPISOKPL-XUZZJYLKSA-N 436.600 4.844 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ncc(CC)s1 1722348253 UDJHWTKWADHTQF-UHFFFAOYSA-N 437.569 4.949 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)C1CCC(C)CC1 1722453804 COOGSBCBQNGGHW-UHFFFAOYSA-N 442.629 4.734 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C(C)C)C1 1722484214 HIIJAMJKXDPZPN-QGZVFWFLSA-N 426.362 4.884 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(O)(CC)CC)CC1 1722561643 YZQWIIPCGUTFGQ-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2ncc(CC)s2)CC1 1722570129 VIRBFJJCGRDULP-UHFFFAOYSA-N 444.004 4.929 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cccs2)CC1 1722619712 IGWWTZJYZIVKRF-UHFFFAOYSA-N 437.613 4.828 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@]1(C)CCO[C@@H]1C1CC1 1722637713 VYPXXKXFSDDTFE-NQIIRXRSSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)C1CC1 1722659201 RJFYOQWZVGJMDE-XPWALMASSA-N 438.616 4.814 30 10 IJEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1730568941 DOKNDRPNPLIPCI-NZSAHSFTSA-N 433.478 4.583 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1731181138 FZPJZHSTVIIZEU-ABSDTBQOSA-N 427.490 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(COC)CCCCC1 1740559990 ZJGMGLNNRAHWIC-FQEVSTJZSA-N 426.630 4.934 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc2ccccc2o1 1740659355 LYJBQDBKFICJCW-ISKFKSNPSA-N 444.579 4.649 30 10 IJEE C#CCSCCn1c(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)nnc1C(C)(C)C 1740723407 PUOMAHKXPBUVOC-QGZVFWFLSA-N 431.675 4.906 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1(OC)CCCC1 1740728189 QGBHOCQTSXTTOX-JOCHJYFZSA-N 428.964 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1CCCSC 1740733889 NCNSHWLQTAAPLC-HSZRJFAPSA-N 447.048 4.997 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1 1740754281 DGZFVIFQWDKYHH-FXAWDEMLSA-N 445.007 4.974 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1740785458 GVGPMUVCAIRMDB-KRWDZBQOSA-N 448.951 4.865 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C)(C)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1740855891 PEUIISXNJZEFRU-BKMJKUGQSA-N 438.616 4.917 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1740874869 JYFWVLKAXOPHHU-UHFFFAOYSA-N 432.572 4.749 30 10 IJEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)C1CCCCC1 1740887667 LCRUXYVTISNPOU-WMZHIEFXSA-N 440.588 4.788 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCCC[C@@H]2C1 1740942893 QREBFEBDEVBCBD-UYAOXDASSA-N 429.996 4.549 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1741461142 BKTZJPIELDLANB-VWLOTQADSA-N 448.546 4.981 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCOC2CCCCCC2)n1 1742313314 AYSKKYDQEWJWHD-UHFFFAOYSA-N 444.583 4.896 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1749089665 ACQBFSDHAFOYFI-VXGBXAGGSA-N 427.293 4.547 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2cccs2)CC1 1749312869 WJGHDCFHJUBFQS-XMMPIXPASA-N 438.597 4.600 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCC[C@@H]2C)CC1 1749335744 UKQADXUYWLTOEB-SFHVURJKSA-N 429.012 4.660 30 10 IJEE C=CCCCCn1c(N2CCc3c(F)cc(F)cc3[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1749409103 RKGJIYPMJPEZEK-BXKMTCNYSA-N 446.542 4.688 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2ccc(Cl)nc2C1 1749421281 OCUJBVLZNWKDRY-UHFFFAOYSA-N 439.947 4.540 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749433491 LPKCJUOAHDRTJE-UHFFFAOYSA-N 437.613 4.993 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1749460505 BVEUXOLTFKZCTB-VNXMGFANSA-N 430.637 4.804 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nccn1C(F)F 1749500427 ZUMQBVZQSSEEBQ-UHFFFAOYSA-N 430.503 4.551 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1Cc1ccc(N2CCCC2)nc1 1749541319 LWWVZRITMNSSST-UHFFFAOYSA-N 434.563 4.777 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2(COC)CCCC2)C1 1749700459 KJIYMFFFWHOJLH-OAQYLSRUSA-N 445.007 4.977 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760142095 RKEBBYJRQADQGB-OAQYLSRUSA-N 449.643 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1cccc(F)c1)C(C)C 1760325995 UUKQMRRTPYUYDS-RDGATRHJSA-N 449.574 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccccc1)N1CCCC1 1760334003 MNGTWIDDJBRBFK-DEOSSOPVSA-N 430.600 4.888 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1760391771 QNYPDVNPEJOHNG-GOTSBHOMSA-N 435.660 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760408376 ALCICYFPGYKOFL-IBGZPJMESA-N 427.549 4.707 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760434547 FEMCQASUWHYQOH-UHFFFAOYSA-N 442.489 4.845 30 10 IJEE C=CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1)C1CC1 1760473904 IUODYDLQNHNTEX-PKOBYXMFSA-N 438.469 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CCO[C@@H]1C(=C)C 1760484605 FDNDUJHBFYRAPG-PXDATVDWSA-N 447.558 4.577 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC2(CCCC2)C1)C(C)C 1760489789 JZYYTCXBSRXSFM-FGZHOGPDSA-N 427.637 4.599 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC1(COC)CCC1 1760491655 OKPWGPHCWUUQNX-UHFFFAOYSA-N 437.407 4.764 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@@H]1C 1760501150 IAAPUVDAYHPUDU-FPOVZHCZSA-N 438.547 4.509 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3F)C2)c1C#N 1860660498 MIEHLSXNAJKQLJ-LBPRGKRZSA-N 449.498 4.825 30 10 IJEE N#Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1c(Cl)ccc(Cl)c1Cl 1860918836 AXZORTMJDLHMCQ-CQSZACIVSA-N 440.739 4.672 30 10 IJEE CCCCCCCCNC(=O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(C)n1 1860940005 QGJAYVQPGKFLGF-UHFFFAOYSA-N 439.387 4.600 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1OC 1861063773 ONERYQWNPCXTLI-QHCPKHFHSA-N 440.584 4.522 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cc(Cl)ccc1SC 1861898313 YJFNVXXBDVFQKD-OAQYLSRUSA-N 443.012 4.533 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)c1 1862418808 LRGBRLJZXUYKTH-NRFANRHFSA-N 429.463 4.988 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430129 CPPVRKQLINJZQS-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)c1 1862431887 QSKQQTOSCIXDCM-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1862446033 JMJPWIDMTLKWDI-LJQANCHMSA-N 434.319 4.998 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC)c(OC)c1 1862450535 KAVLGJQTYQUHIY-RNODOKPDSA-N 429.900 4.734 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)cc1 1862455835 DAYYOFZLBAVCHF-HXUWFJFHSA-N 427.378 4.784 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc3ccccc23)c1 1862494568 NVCOBJPOKUXDFP-RUZDIDTESA-N 442.559 4.987 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862531943 AMYFNONHHIRPCH-NRFANRHFSA-N 432.432 4.529 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862539990 CUTFLUMEKKFJPK-RBZFPXEDSA-N 443.927 4.993 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862539993 CUTFLUMEKKFJPK-ZUOKHONESA-N 443.927 4.993 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1 1862959907 LYGGVFOTKRTMJU-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1 1863478851 OOMKOZPURDGTMD-UHFFFAOYSA-N 429.545 4.781 30 10 IJEE CCC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867012029 TYTDORPOHOHDAH-BJKOFHAPSA-N 433.552 4.764 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)/C=C/c2cccc(Cl)c2)ccc1Br 1870143305 GZRPGMJEICNHDX-VMPITWQZSA-N 442.704 4.515 30 10 IJEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccccc1Cl 1870144722 JADOVMIEMFMTHG-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(OC)c(F)c2)cn1Cc1ccccc1 1870382559 HDNURJFODBVWHP-UHFFFAOYSA-N 448.538 4.797 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN1CC(O)C1 1870409312 QDPXDGIGZUGXMZ-UHFFFAOYSA-N 432.992 4.618 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CN(CCC)CCC 1870595420 MCIYZYGBWPYXHW-UHFFFAOYSA-N 428.573 4.513 30 10 IJEE C=CCOc1cn(CCCN(CC)CC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870811379 WYNYPAFQQHSZHY-UHFFFAOYSA-N 437.506 4.776 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871377097 URYNOFAQALQFJP-RQXPBMLRSA-N 443.411 4.838 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(CN(CCO)Cc3ccccc3)c(O)cc(C)c2C1=O 1871393687 DPUIGOWYRLKBIT-IWIPYMOSSA-N 429.516 4.620 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871817921 YDHYYGKAFVCQHH-SFHVURJKSA-N 432.561 4.762 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203167 CDABYFBNRWQGHA-UHFFFAOYSA-N 440.547 4.702 30 10 IJEE CCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1OC)C2=O 1873886416 VCMCSFZOTJBWLV-UHFFFAOYSA-N 436.552 4.624 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2sccc2C)cc1OC 1874199987 FIJJGLVHEGKCJJ-HYARGMPZSA-N 430.599 4.835 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1c[nH]c2ccccc12 1874227423 YXGMDJHQXKUNIZ-MFKUBSTISA-N 433.537 4.897 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCCO)n2/N=C/c2cccc(Cl)c2)c1C 1874255747 MEJIREPCGOREBF-ZMOGYAJESA-N 444.988 4.792 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c(O)c1 1874421133 WZYGJOKXQKZWBF-SSDVNMTOSA-N 426.498 4.731 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C(C)(C)C)c1 1874480935 HYTGBCHPPYUAQW-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccccc1Cl)Nc1ccccc1 1874493496 PQBITFGEXONWNX-YDZHTSKRSA-N 425.945 4.812 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)c1OC 1874494682 DIMWMPZIRSZQDR-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1874581892 LJGDQBCMWCDVQK-XYOKQWHBSA-N 429.472 4.680 30 10 IJEE Cc1ccc(C(=O)/C=C/c2cc(Br)c(OCCO)c(Br)c2)cc1 1874616403 YDBZLVCXKUGSFE-QPJJXVBHSA-N 440.131 4.787 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1Br 1874619653 LMWCYWNIFMSHJC-SOFGYWHQSA-N 447.325 4.994 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(OC)c(OCCCO)c(OC)c1 1874624767 UTQMDBDMKOHBIP-CSKARUKUSA-N 428.525 4.667 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OCCO 1874630751 SBFSPFGRCNXVFK-VOTSOKGWSA-N 449.341 4.740 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)c1 1874698044 JBJUXTBCWLAAEF-PKNBQFBNSA-N 448.471 4.836 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OC(=O)c1cnc(C)cn1 1875109468 OZNUZNHWFYGIBV-RMKNXTFCSA-N 432.476 4.616 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)cc1 1875113957 HGNMXIUWLURNJI-LNKIKWGQSA-N 446.459 4.785 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1OC 1875146935 MEHTVHLHBWTCAL-BJMVGYQFSA-N 446.455 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(c2ccc(C#N)c(Br)c2F)C(C)(C)C1 1879290347 QGYAZASPRSNDPC-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3cccc(-n4ccc5ccccc54)c3)C2)c1 1891611960 SFTDEOMFOBWAHS-OAQYLSRUSA-N 436.515 4.828 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(O)CCC(C)(NC(=O)OC(C)(C)C)CC1 1922051307 HMEUCZLAYREUPC-IKJWCUOUSA-N 446.632 4.716 30 10 IJEE C#Cc1ccccc1[C@@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952222945 YJBYFIFFIMPWNS-HHHXNRCGSA-N 425.484 4.897 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3ccc(Br)cc3Cl)C2)OC1(C)C 1965478964 BOBODLBYLIACHP-LBPRGKRZSA-N 428.563 4.801 30 10 IJEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(c2cc(Br)c(C#N)cc2F)C1 1965620084 ABNOUHFCXYSWCD-JSGCOSHPSA-N 426.330 4.589 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCCC1 1994205679 FCBKXHDNPYZXML-IZZNHLLZSA-N 444.575 4.858 30 10 IJEE CC1(C)OB(c2ccc(CNCc3ccc(OCc4ccccc4)cc3)cc2)OC1(C)C 2094848710 FWAYKZOIDOVPGO-UHFFFAOYSA-N 429.369 4.855 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNc1cc(Br)cc(F)c1C#N 2107446325 YOSUOQCEHMQVHY-CHWSQXEVSA-N 426.330 4.765 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3cc(Br)cc(F)c3C#N)CC[C@H]2C1 2163692755 QIWZKPRBXYHZDH-GZBFAFLISA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)C1 2181155195 NMYMOFGSCLJITG-ZIAGYGMSSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)[C@@H](N)C#Cc1ccccc1Br 2235716192 FCRUSGSHQSPTBT-GJZGRUSLSA-N 449.311 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CSCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2246707101 IADLRFRNRSTREY-LJQANCHMSA-N 433.423 4.619 30 10 IJEE C[C@H]1[C@@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267115881 POXIYZPBIYEBDE-UVUJQTEASA-N 440.437 4.664 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1c(F)ccc(Br)c1F 2275806939 LASMECBBLZUXQM-LJQANCHMSA-N 427.241 4.643 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCCCCN1C(=O)OC(C)(C)C 2296215799 DRLCNGIRDJJYIP-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccc(Br)cc2)CC(C(F)(F)F)C1 2296221832 MEKIQODMPCFQQH-UHFFFAOYSA-N 446.263 4.606 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 2296272122 IHOUELMLTYJLHN-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@@H]21 2296274196 SNXFMHKHIXGHFK-BTHPGYMESA-N 434.374 4.730 30 10 IJEE CC[C@@]1([C@H](C#Cc2ccc(Br)cc2)NC)CCCN(C(=O)OC(C)(C)C)C1 2296289890 WSVGWMDKDBMFIA-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2296293869 OAFMZMPQWRNJAS-AVRDEDQJSA-N 433.390 4.616 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1OC 2296769457 ROFPTKCGVSBWDP-QFIPXVFZSA-N 449.890 4.984 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc3c(c2)OCO3)C1=O 2297307129 LOJAFCQVGPDLRP-UHFFFAOYSA-N 429.881 4.612 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C2=O 2314527240 LQGYHGWVDFBARW-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE CN(C)c1ccc(C=C2SC(=NN=Cc3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 2314818965 PHMNNETYGPUWHH-UHFFFAOYSA-N 446.532 4.558 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(O)c(O)c1 2318571813 SWKCBXNIBAAJBP-UHFFFAOYSA-N 447.358 4.579 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319733675 LBYZNEJREZBPKV-MRXNPFEDSA-N 430.354 4.650 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cccc(Cl)c1 2320997948 OCVKBIMEGWVBAP-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)OCC(C)C 2323026645 MVJCOUQSABRRDX-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2323589688 RMYPGUPQMKZUID-UHFFFAOYSA-N 431.375 4.969 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2323608821 QALCOGSGUBQMDS-UHFFFAOYSA-N 430.412 4.610 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1Cl 2324718842 WNLZGCWCJMCOEC-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COc1cc(C=Nn2cnnc2SCc2ccc(C)cc2)cc(Br)c1OC 2326287335 YRUZYQZHQFMAKI-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE CCn1cc(C=Nn2c(C)nnc2SCc2cccc(C(=O)OC)c2)c2ccccc21 2326752317 CPOOATJGCAINAW-UHFFFAOYSA-N 433.537 4.522 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccco2)cc1 2328438829 CZWGAACIXNSTGQ-UHFFFAOYSA-N 433.493 4.853 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2N=Cc2ccc(C(C)(C)C)cc2)c(C)c1 2328919027 OFJGOHXTPKNIOF-UHFFFAOYSA-N 438.597 4.738 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2)cc1 2330468293 MKEBVBROVXKSRY-UHFFFAOYSA-N 441.560 4.790 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)ccc1O 2330670764 DYCSBMNDNIMFDH-UHFFFAOYSA-N 431.477 4.733 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccs1 2330684835 OUCPNBMZYUXQEG-UHFFFAOYSA-N 427.599 4.630 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccs2)cc1C 2331173909 JWPJQTDUHQFSQZ-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE Cc1ccccc1COc1ccc(C=Nn2c(SCCCO)nnc2-c2ccco2)cc1 2331224283 FBWCEFAYFNITFR-UHFFFAOYSA-N 448.548 4.782 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cccc(O)c1 2331319471 XGHRTXIUACPUGO-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccc(CC)cc1 2331637047 RLUVWBISNOMIGQ-UHFFFAOYSA-N 435.597 4.968 30 10 IJEE COC(=O)c1nc(-c2cccs2)oc1NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2331931864 BOQCCRSFIDMBNI-UHFFFAOYSA-N 447.472 4.855 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cc(F)ccc2NC(=O)OC(C)(C)C)n1 2337021363 CCVQZBFFYSXSCE-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339588807 NXOOUVQGVZFIMB-VUDPSUQNSA-N 443.397 4.832 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3cc(F)c(Br)cc3Cl)C2)OC1(C)C 2368435739 RTSYWDWPUHAIIV-SFHVURJKSA-N 446.553 4.940 30 10 IJEE Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(Cl)cc3Cl)c(C#N)c2=O)cc1C 4481096 DOBHQQMGJVDBDX-YVMONPNESA-N 440.286 4.896 30 10 IJEE N#Cc1ccc(-c2csc(NC(=O)c3cccc(I)c3)n2)cc1 14497535 XUKPRJOTJRKJGS-UHFFFAOYSA-N 431.258 4.539 30 10 IJEE C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 20892441 KCGYKIWGJIMDQQ-QHCPKHFHSA-N 435.549 4.837 30 10 IJEE CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccc(C#N)cc1 32997309 LEUDWKRTGIJYSU-HSZRJFAPSA-N 445.548 4.993 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 35444076 XSYOSIOSMUVCIK-PBWBSBDWSA-N 440.499 4.658 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1OC 41658323 ORNOZETYAWNTSS-ROTLSHHCSA-N 443.499 4.981 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N/N=C\c3cccs3)N(Cc3ccco3)C2=O)cc1 47138076 ZHBDBTOGEBCNEL-PLKVVUSUSA-N 436.562 4.914 30 10 IJEE C=CCSc1nc2ccc(NC(=O)CSc3nnc(C4CC4)n3CC=C)cc2s1 59911507 IJZZJWJPBJRJKZ-UHFFFAOYSA-N 443.623 4.960 30 10 IJEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(Br)c1)c1c(O)n[nH]c1N2 102494043 VJQYDVSUGPYOEV-BDJLRTHQSA-N 442.338 4.898 30 10 IJEE CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(OC)cc2)CC1 102992343 MYGGRIMRFWTVCH-UHFFFAOYSA-N 438.616 4.702 30 10 IJEE N#Cc1cc(NCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OCC(F)(F)F 108362049 CTCHDLJQJKIDFF-UHFFFAOYSA-N 432.446 4.540 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(O)cc2)c1 169957766 WHMVIHICJYVPNU-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccc(OC(C)C)c1 169980023 GWLYGTLNLNMKGM-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(F)cc1 170065097 FRVODPJDWXUXQI-HSZRJFAPSA-N 425.500 4.538 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(C)[nH]c2ccccc12 170104328 VVFRYIRYLMDHBM-OAQYLSRUSA-N 438.911 4.745 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)c(C)c1 170131898 GELNLTYCWJBDIC-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)ccc1Cl 170161844 HTJHTZFHEQFOGS-LIRRHRJNSA-N 447.940 4.558 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1C 170187524 BWOBFOPBBXMSEG-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccnc1 170191134 IXNRRXZVRWPITB-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)s1 170238735 CBBPJFUPWQMBGX-GOSISDBHSA-N 426.444 4.821 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)c1 170249054 WROJCNUTTKZNAJ-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccco2)c1 170278949 KFDRNEQEWANXOY-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)c1 170304351 JTKCMDPPLCLFGF-JOCHJYFZSA-N 428.444 4.866 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2c(c1)OCCO2 170325811 HKCSDHGYDAYKIW-XMMPIXPASA-N 447.531 4.715 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(O)cc2)cc1OCC 170448867 XALUMLUKEZCVFV-JOCHJYFZSA-N 449.459 4.566 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br 431188768 XXMSERVMSMRLEJ-PKOBYXMFSA-N 430.302 4.611 30 10 IJEE CCn1ncc(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1C(F)(F)F 439894669 DSHDNYNKVJWHRZ-LLVKDONJSA-N 446.298 4.948 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 460780984 XQSXFWARQZHOBP-UHFFFAOYSA-N 449.986 4.916 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2CCN(c3ccccc3)CC2)cc1 471252193 XIBCIESICLOYSE-UHFFFAOYSA-N 432.568 4.539 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 500524170 LFXYLNRBSJOKAS-FGZHOGPDSA-N 429.996 4.651 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607277 OREQWXPEROROQP-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CC(=O)Oc1ccc(/C=N\n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 526813953 HFUQGIXRIQOTHT-YVNNLAQVSA-N 435.336 4.993 30 10 IJEE C#CCN(Cc1nccn1Cc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 733196338 BGSOJIXOISNYBX-NRFANRHFSA-N 436.353 4.653 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1CC 733200371 DMMMBTJDGZRWGT-FQEVSTJZSA-N 441.503 4.511 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)c2)s1 740037217 DHDVIAOFXHENGF-QFIPXVFZSA-N 444.604 4.998 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1=S 747833048 STYLGZABHXTHEA-ZWKOTPCHSA-N 449.020 4.538 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 784617933 RWUSBWXKAHDECZ-LJQANCHMSA-N 434.886 4.742 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(C(F)(F)F)cn1)[n+]1ccccc1 804603490 FZXDPJWQEDTDBC-UHFFFAOYSA-O 427.431 4.583 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N(CC)CC(=O)Nc1c(Cl)cccc1Cl 805784852 TYROMSOOUXRMDL-KRWDZBQOSA-N 432.351 4.598 30 10 IJEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccc(C(F)(F)F)c2)NC2CCCC2)c1 1088664622 GZCNVHZCUWYDHG-UHFFFAOYSA-N 435.446 4.698 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1124307490 FTGDLPQUKSLOKK-UITAMQMPSA-N 436.489 4.764 30 10 IJEE Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)c1 1147577871 CWRGUJDMEAJDEC-FTJBHMTQSA-N 437.543 4.837 30 10 IJEE C=CCC[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 1168563641 NOBNXLIMGUWHPL-FQEVSTJZSA-N 427.488 4.785 30 10 IJEE Cc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCCC(C)C 1200834281 HKKLFYCEZHMVPW-JOCHJYFZSA-N 434.540 4.609 30 10 IJEE Cc1csc(NC(=O)N[C@@H](C)c2ccccc2NS(=O)(=O)c2cccs2)c1C#N 1204888525 GOBIQJVEGCRAPX-ZDUSSCGKSA-N 446.579 4.673 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c1 1215273763 UCXXPGNDKXBTOT-OAQYLSRUSA-N 441.572 4.780 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)CCCC1(C)C 1221706796 GMRYLQYFNQWQDS-SFHVURJKSA-N 436.394 4.862 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CCCC1 1248674404 CBLBUMHNTSCWQJ-SFTDATJTSA-N 449.636 4.617 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C)nc1OC)c1ccc2c(c1)OCO2 1264077650 KLAGTTNHZWMZGS-UHFFFAOYSA-N 432.476 4.539 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cccn1-c1cccc(I)c1 1264246928 ALDAVXPSCBZSJP-UHFFFAOYSA-N 448.329 4.972 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc3c2CN(CCC(C)C)C3)CCCN1C(=O)OC(C)(C)C 1264929060 WKKARLPJIORLTJ-SANMLTNESA-N 439.600 4.780 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(CC)cc2)cc1 1270241916 CTFFALQTNNAHTG-DEOSSOPVSA-N 448.563 4.695 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(C)(F)F)c1 1286276579 XQDJLWFCLJPIFX-ZDUSSCGKSA-N 448.315 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1ncc(CC)s1 1286278341 NGQFIVSUXQYICT-HOTGVXAUSA-N 444.004 4.791 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286383150 XYQUHIZSJKGFHF-OALUTQOASA-N 434.506 4.858 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCC(C)CC2)nc1 1286436651 QFJXRTSFSZIBIG-UHFFFAOYSA-N 449.002 4.738 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cscn1 1286497372 QQMCWYFZORZETN-OAHLLOKOSA-N 448.017 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC1CCCCC1 1286570753 HYEUSFGTWXWOLZ-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(C)(C)OCC)CC1 1286640278 IBDRFSOYFWEOJS-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1286646202 MWEYUZUEPGZRRO-OFNKIYASSA-N 440.588 4.503 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CN2CCCCC2)CC1 1286659728 WVHDKEZZFIMNTC-HXUWFJFHSA-N 425.596 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1286676514 MUIIXWOVUCJGGA-IBGZPJMESA-N 443.661 4.712 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccc(C)s1 1286684212 GWPYIVKENMKSEZ-UHFFFAOYSA-N 444.626 4.711 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286689525 SXSLEBLGCGYJJV-UHFFFAOYSA-N 436.507 4.732 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286703429 ARJXDXJOEYPNKF-LJQANCHMSA-N 430.980 4.730 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@](C)(CC)O1 1286753350 BDSBHVFFLCFVMU-UZLBHIALSA-N 434.382 4.562 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(F)cn1 1286760822 RQGKDCXJSHCTGU-UHFFFAOYSA-N 429.952 4.985 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCS[C@@H](C)[C@H]1C 1286799498 VTOSGJQNGPKPFB-MOPGFXCFSA-N 426.630 4.954 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCOC[C@@H]2C)cc1 1287629739 DSNVTXBTHNYORY-VWPQPMDRSA-N 439.604 4.781 30 10 IJEE C=C[C@@H](CC(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 1290340849 HGNNZRYHBGFDCN-QHCPKHFHSA-N 425.576 4.785 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1300348686 OPRUSOTWPVMHQI-GOSISDBHSA-N 430.955 4.794 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1300372780 LBNKNMKUUCYRAE-OALUTQOASA-N 445.032 4.890 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)C1CCC1 1300875712 NZKPYJXUJRJKFS-WMZHIEFXSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OCC)cc1 1300877097 UKLLYHJOHKFWNX-REWPJTCUSA-N 436.556 4.863 30 10 IJEE COCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1300928302 BGMZEWVZOGCAGW-KRWDZBQOSA-N 445.995 4.874 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1301017283 IEVSOGGKQBWVES-MRXNPFEDSA-N 449.386 4.811 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1301027147 JJRONPUREBDUKY-IBGZPJMESA-N 444.366 4.932 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC=CCC2)CC1 1301109363 IHYQFKPZBKJEJG-QGZVFWFLSA-N 430.394 4.805 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN(c2cccs2)CC1 1301198544 MEVNMXHGSUFJRZ-UHFFFAOYSA-N 441.576 4.741 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)Oc1ccccc1 1301363750 ZRMSDEKOZSKBNM-PMACEKPBSA-N 438.597 4.894 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1301367439 OHHVOJKFWUBIOX-QHCPKHFHSA-N 449.647 4.594 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncccc1C 1301415080 OAWPEEVJTLINRM-UHFFFAOYSA-N 437.613 4.666 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)OC(C)(C)C1 1301594325 AWBLGLCPVOLOEO-AZUAARDMSA-N 444.645 4.958 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301618401 RHDVWEJCIXGHLA-NRFANRHFSA-N 428.646 4.766 30 10 IJEE N[C@](C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)(c1cccc(F)c1)C(F)(F)F 1306832889 FWZQRRWUJLKRGM-IWEFOYFVSA-N 434.355 4.623 30 10 IJEE Cc1ccc(C2=NO[C@@H](CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)cc1 1310283562 FDSKRMPDJAUZAO-HSZRJFAPSA-N 426.476 4.974 30 10 IJEE C#CCN(C)CCCNC(=O)Nc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1C 1310359742 FANIVUCXWXYQFZ-UHFFFAOYSA-N 435.547 4.808 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccc(C(=O)NCCOC)c1)c1ccc(C(F)(F)F)cc1 1310712619 ATUUTGYVNPHMLX-FQEVSTJZSA-N 449.473 4.911 30 10 IJEE C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)CC1 1311894079 RBXKYADPMKPGRS-GOSISDBHSA-N 426.786 4.599 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 1311951665 WFMNHWKZOIMJKG-IBGZPJMESA-N 431.483 4.586 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1)c1ccccc1 1313219565 OZNHHLBOPCQMAD-QHCPKHFHSA-N 435.568 4.569 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(C)(F)F)cc1 1314197454 FYPPWPJFXHCQMM-JTSKRJEESA-N 447.530 4.992 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cnn(-c2ccccc2Cl)c1C 1351586919 ZPYCZYDCYKGELR-UHFFFAOYSA-N 440.883 4.577 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1351601224 RXOIZSIVAZAOEU-LJQANCHMSA-N 448.441 4.642 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CSCCS1 1358943026 SHNMGDUQEVKEDV-QGZVFWFLSA-N 444.626 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCSC1 1359066908 UTAOXZKCNPGWTJ-FZKQIMNGSA-N 437.432 4.514 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1)C(C)C 1359083499 LGWNVYOZICMJPC-QGZVFWFLSA-N 437.357 4.635 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCOC(C)(C)C 1359096190 XWVWHTIWGSLDKB-NZQKXSOJSA-N 449.599 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)NCC1CC1 1359108659 XKNILGDWUPVMOW-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@H](C1CCCCC1)N(C)C 1359254928 ICQLQIQAHZEBED-XMMPIXPASA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCO1 1359264945 UJASWLIBUZPUES-FQEVSTJZSA-N 438.597 4.907 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N(C)C 1359265075 XQBCTGLFMBSLHN-GOSISDBHSA-N 434.613 4.554 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1359342518 ZIIWPXUJALMZRI-LJQANCHMSA-N 428.602 4.824 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCSC(C)(C)C1 1359346108 BELBUHHKHSOIEY-UHFFFAOYSA-N 432.659 4.671 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCCC1(C)C 1360118409 HDRFZUAHPGEBLA-VWLOTQADSA-N 433.556 4.766 30 10 IJEE C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1435667025 HICGMJNMXUZMNZ-CYBMUJFWSA-N 443.732 4.977 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 1436648422 KJHSSPJYOZOHST-OALUTQOASA-N 435.738 4.742 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC2(C)CC=CC2)ccc1Cl 1437222257 TUIBCRMEFQSYGU-UHFFFAOYSA-N 448.947 4.699 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(Br)cccc3cn2)cc1 1440895002 ZXIJIFYOEVNCPF-UHFFFAOYSA-N 425.286 4.557 30 10 IJEE Cc1ccc(-c2ccc(C(=O)N3CCN(c4snc(C)c4C#N)CC3)c(F)c2)cc1C 1460634323 GVXQCGKBKUNMIM-UHFFFAOYSA-N 434.540 4.709 30 10 IJEE C=C(C)C[C@@H](NC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12)C(=O)OCC 1462503032 RRILRFQTXDBCBI-HSZRJFAPSA-N 434.536 4.790 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccnc(N3CCCCC3)c2)cc1C 1463061769 GXVONEBDPSLTDK-UHFFFAOYSA-N 428.540 4.718 30 10 IJEE C=C1CC(C)(C(=O)Nc2ccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 1464728528 QBNFJNUXTXEOLV-UHFFFAOYSA-N 428.529 4.538 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1470667132 PKQJATVUGFAURO-MSOLQXFVSA-N 428.813 4.595 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)C[C@@H](C)C2)C1 1499486749 DDVMFTIEVWJXLE-YPAWHYETSA-N 434.632 4.811 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@](C)(O)C1CCCCC1 1507699801 KVZJIBJOUZDOBX-KBMIEXCESA-N 426.580 4.902 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSC(C)(C)C1 1507747255 WFGFIHMMWHCTTH-LJQANCHMSA-N 444.670 4.733 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1507749121 WEUBIPCROACKOC-IERDGZPVSA-N 445.430 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1sc(C)nc1C 1507764406 PFDNFUMPQNYOCF-JOCHJYFZSA-N 443.523 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)CCSC 1507806823 TVHFHHUARSARBS-LZNRXBQRSA-N 432.609 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(COc3ccccc3)CC2)nnc1C(C)(C)C 1507811542 RZUIKQSSMMWSNF-GGAORHGYSA-N 438.616 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CCc1cc(Br)ccc1F 1507816297 KPULEBGZWZRXJI-UHFFFAOYSA-N 432.341 4.820 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1507821484 DHSCNBQEYWPTKU-YADHBBJMSA-N 425.621 4.688 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C1CCC(NC(C)=O)CC1 1507826826 DXOAMTDSMSFKCH-PBPGXSGUSA-N 441.645 4.591 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(N(CC)CC)CC1 1507826970 MIKLFHCCSUWSIB-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC(C)C)C1CC1 1507829609 FSQNJRUSPKORLO-LJQANCHMSA-N 431.625 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOC(C)(C)C)CC1 1507881500 VEGFZFKBFAXSQM-UHFFFAOYSA-N 433.394 4.988 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CSCCS2)CC1 1507901437 JHQNJLDGRRERLL-LJQANCHMSA-N 435.062 4.773 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1507910168 ICFBQVREPNZPTB-MRXNPFEDSA-N 431.531 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1507920205 ULWNGDCHYLQPNZ-QZTJIDSGSA-N 430.618 4.798 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507933714 RUOPQRBKSBISTD-IBGZPJMESA-N 435.538 4.606 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1507956246 HBCMERNCCSOJBU-IBGZPJMESA-N 442.629 4.677 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@@H]1CCO[C@H](C)C1 1507973763 NAQNQRNBXGHMIG-WOJBJXKFSA-N 436.556 4.945 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCc2c(F)cc(F)cc2C1)C(C)C 1508012230 ZNIPNFVJCVMUDK-HSZRJFAPSA-N 443.586 4.941 30 10 IJEE C=CCn1c(N2CCC[C@H]2c2ccsc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066893 YKJOFOKXUSDYQV-KSZLIROESA-N 429.590 4.638 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCc2cc(F)cc(F)c2C1 1508165055 PQASQFGWXCKOFO-UHFFFAOYSA-N 432.565 4.691 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CSCCS2)C1 1509245572 GCOMZFJUPGNTGM-QUCCMNQESA-N 427.643 4.538 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(CCN(C)C)c1-c1ccccc1 1524185351 GKNRZPVOCKLJJH-UHFFFAOYSA-N 428.989 4.655 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(C)C)cc2C1=O 1527712801 NONRYLSLROLSOZ-UHFFFAOYSA-N 427.298 4.607 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C#N)ccc2F)[C@@H](c2cccc(Cl)c2)C1 1530165097 GUICQVMHFFXWME-HXUWFJFHSA-N 443.906 4.785 30 10 IJEE C=C[C@H](CC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 1530911127 USSCTPDMQKZRCV-LJQANCHMSA-N 428.488 4.644 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1533464970 JYLLRCQOAAARLR-IBGZPJMESA-N 442.737 4.801 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CC(=O)OCC)c2ccccc2F)s1 1534547831 CLOPVNGXTFBNQF-UHFFFAOYSA-N 442.965 4.574 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1536804468 GXOGIKLLHTWJMT-WMZOPIPTSA-N 430.474 4.514 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c1 1537134459 NGMHLEYZUGVWCA-JOCHJYFZSA-N 426.491 4.702 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1OC 1538828431 CSQHYDOGFUELGU-YXOJNZSOSA-N 447.362 4.975 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(OC2CCCCC2)c1 1539169066 QNSRZQZBSNXGAY-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)cc1 1539198174 SOKGOXIHVJHKRV-KSEOMHKRSA-N 440.337 4.983 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2c(C)cccc12 1539383482 CYXPRRGEDMRHMK-FYYLOGMGSA-N 433.600 4.689 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(Cl)s1 1539546196 ALVVESZIZLTAQI-HXUWFJFHSA-N 432.380 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)CCC 1539622362 WRTGYUGLKONJRJ-PBHICJAKSA-N 439.423 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)c1cccs1 1539676876 XFTUFTNFLYAIIZ-DEOSSOPVSA-N 440.613 4.846 30 10 IJEE C=C(Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1539771150 UPYRGNFTMMAMST-BKMJKUGQSA-N 438.616 4.905 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(COC)CCC2)CC1 1539875153 TUILPWOMMHFAFH-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539952981 MYVIENWWNSMUGF-QFIPXVFZSA-N 434.588 4.943 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nccc(C(F)F)n1 1540086924 HSESSHDGCVMWSQ-UHFFFAOYSA-N 442.514 4.553 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2nc(C)c(C)s2)C1 1540886652 HDFZSLMIPPMXKN-NRFANRHFSA-N 437.613 4.605 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)N(C)C 1543764389 BPEDKHUDNIZVNJ-KGVIQGDOSA-N 434.613 4.806 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)C1 1552504043 CAYPXFJNJXUHQU-KVJIRVJXSA-N 439.629 4.600 30 10 IJEE COc1ccccc1[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC#N)OC(C)C 1555036333 CNPQONLXFOOWII-XXBNENTESA-N 448.571 4.562 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1Cl 1564675107 KQEHTENIFAQQSY-XWIAVFTESA-N 427.770 4.930 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc1OC 1565986134 ROICHTTZBQPGNZ-FQEVSTJZSA-N 425.525 4.592 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)ccc1F 1583935162 DUQWAXBBWWAHAA-UHFFFAOYSA-N 430.545 4.501 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(Cl)c(I)c2)cc1 1585613088 RXRUIABXCLJKPR-UHFFFAOYSA-N 425.653 4.599 30 10 IJEE C#CCCOc1ccc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1 1586894511 OVQMJKNZWNUEOK-HXUWFJFHSA-N 430.367 4.858 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)c2C#N)C1 1586957953 BEPYTLXMCFQFHV-HZPDHXFCSA-N 434.348 4.573 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1CCCCO1 1587567905 LKQSHNRTXCOMJB-AUSIDOKSSA-N 431.584 4.770 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCc1cccc(C)n1 1589150771 KUYPDMLTMIAVOI-FQRUVTKNSA-N 447.558 4.886 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(Cl)s1 1589186439 ZFNUWOAKEHBWBS-JOCHJYFZSA-N 442.972 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1589223613 PUEPLIRNKOLSSO-AMZDPNTKSA-N 438.591 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)c1ccc(F)cc1 1589669083 JOKXCIGPMOKWMQ-IBGZPJMESA-N 432.547 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCOC2)CC1 1594202069 FDMDWMDSUPFMQD-INIZCTEOSA-N 449.368 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1594473523 VAMLOUPHNSXQJI-VWLOTQADSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1594492216 VLZUKAOUGAGJPR-IBGZPJMESA-N 439.604 4.856 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC[C@@H]1C 1595099453 BRUACHIULDIJSQ-WMZHIEFXSA-N 447.608 4.667 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1595120629 XCSVZYCENIJJIC-ACHVPNTGSA-N 448.615 4.536 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1C[C@H]1CF 1595243924 KSDCHXQHNSWHOQ-GHTZIAJQSA-N 437.519 4.506 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1595250528 FVJCPYFALXGSMQ-NFBKMPQASA-N 437.588 4.563 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@H](C)CCC 1595500660 ATAQZNZDORHSKI-MRXNPFEDSA-N 441.576 4.740 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nccc(N(CC)C3CCCC3)n2)CCCN1C(=O)OC(C)(C)C 1596995294 HMXOTYFYAMNWCZ-DEOSSOPVSA-N 443.592 4.530 30 10 IJEE C#C[C@H](NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)c1ccc(Cl)cc1F 1597003408 RLPWPIWJGRPSDI-KRWDZBQOSA-N 431.298 4.941 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)C3(c4ccccc4)CCCC3)ccc2c1=O 1611173549 ZCHMWSMHNKVVJB-QGZVFWFLSA-N 433.577 4.502 30 10 IJEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1cccnc1)C(C)C 1614171028 FSECKMHEKOPRMJ-ISKFKSNPSA-N 444.583 4.942 30 10 IJEE CCC[C@H](C)OC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F 1615950607 VMLSVDHODNDXRE-YFKPBYRVSA-N 431.217 4.870 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C 1621586534 NKSARUCUZCCNIA-CQSZACIVSA-N 439.002 4.639 30 10 IJEE CC(C)(C)OC(=O)NC1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCC1 1623064909 DFUBXJBYIGKWJH-UHFFFAOYSA-N 436.512 4.919 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)CCSc3ccnc4cc(Cl)ccc34)CC2)cc1 1624129302 HBKCTLYZAFGNBQ-UHFFFAOYSA-N 436.968 4.591 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 1624346757 FWPFFCDFYUBLFT-FQEVSTJZSA-N 438.528 4.522 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c(Br)cccc21 1626829153 WWKYBCUXLUOFJC-HOTGVXAUSA-N 443.769 4.589 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12 1627479172 LLLHDQNYATZSOY-DZGCQCFKSA-N 449.349 4.530 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C 1630084664 OQADJWPISDVUDH-DLBZAZTESA-N 447.016 4.533 30 10 IJEE C#CC1(O)CCN(C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 1633560049 VGXTVQLEAJRLKQ-CLCOLTQESA-N 443.568 4.854 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1637048196 XLOPWFMZISXXHR-UNVFRBQDSA-N 444.575 4.954 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 1638664142 CNNNZHMZSYXWLQ-ZHACJKMWSA-N 432.314 4.713 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 1640122903 UVHADEKDXYOALO-WFASDCNBSA-N 436.858 4.798 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 1640182425 NJTMSTIZAJPUTQ-HNNXBMFYSA-N 426.330 4.542 30 10 IJEE C=CCn1c(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O 1643438761 SODQBIKKOGTFTO-PXLXIMEGSA-N 431.561 4.555 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C 1643583216 QISRMHYMKOAEBQ-ZIAGYGMSSA-N 430.467 4.692 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccc(CN(C)C)cc1 1644038425 COWCMYJCZJLAAK-UHFFFAOYSA-N 435.616 4.614 30 10 IJEE C#CCOc1cccc(Cl)c1CNC1CCN(Cc2coc(-c3ccccc3)n2)CC1 1651008687 MTMDNZIOLOSRQQ-UHFFFAOYSA-N 435.955 4.761 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)CC1 1651340765 BFGVMVIENXLDCW-SAZUREKKSA-N 431.355 4.685 30 10 IJEE C=CCn1c(SCCN2C[C@@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651539928 HCRJUJYFFPWIHN-YESZJQIVSA-N 431.671 4.839 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2C#N)C1 1653427080 IDTLOUIXYATXIL-NQSCKRDGSA-N 432.593 4.845 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 1659391963 RBKRZKGNWSVYJK-AVRDEDQJSA-N 440.609 4.592 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccc(-c2ccncc2)cc1 1662010443 BOLIGHSSCGUZLV-CQSZACIVSA-N 431.439 4.679 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(Cc3cccc(Cl)c3)CC2)c(C(F)(F)F)c1 1664347058 BGJVCIARRNCHFB-UHFFFAOYSA-N 428.863 4.532 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)cc1F)c1ccc(Br)cc1 1666838916 SXYSVFOOGYVUDZ-CQSZACIVSA-N 426.083 4.847 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)cc1 1667082670 FLCRPTGDUGEEMK-RUZDIDTESA-N 433.596 4.896 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1 1676352443 JBDXUFMVOUERAY-UHFFFAOYSA-N 426.520 4.649 30 10 IJEE COc1ccccc1OCCN(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1677478810 AGKPEPUNHSRRIF-UHFFFAOYSA-N 447.539 4.593 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C1CC1)[C@H](C)C(=O)OC(C)(C)C 1678356449 WCDJHCKHZJEADC-CYBMUJFWSA-N 439.350 4.740 30 10 IJEE CC[C@H](COCC(F)(F)F)NC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 1680180078 BUNRPBJVCMWPEY-CQSZACIVSA-N 430.364 4.533 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 1686606128 UOUNYLDPNNCXRD-LJQANCHMSA-N 439.560 4.660 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1csc(CC)n1 1690037505 XFTXIJZMFFWTHC-UHFFFAOYSA-N 449.649 4.806 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCSC 1690037695 ZWWKKGGSYCWNQD-UHFFFAOYSA-N 426.655 4.882 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](OC)[C@H](C)CC 1690038621 XBCGPKICJNPVRY-UZLBHIALSA-N 433.383 4.776 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CCCS1 1690098168 YIKSWBLXGINKIB-FQEVSTJZSA-N 439.412 4.624 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CCCO)CC1 1690242910 DVUWHJFNZMEMHY-SIKLNZKXSA-N 445.007 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCOC2)CC1 1690404733 PHLDZCABRQWEBC-GOSISDBHSA-N 445.405 4.845 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1690415302 GYSYGORULBAXQG-HSZRJFAPSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@@H]1C 1690424719 XXZQNKDGGPQPCL-AWEZNQCLSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1690436475 SPHJOOYJFALHNK-XMMPIXPASA-N 440.588 4.770 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC1CCOCC1 1690518907 YUQLWPHWVRHOFU-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(Cl)nc1 1690578464 YLAFQDBKUGGZIY-UHFFFAOYSA-N 436.972 4.999 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCO1 1690579216 ITBVTMUBZZTONJ-FQEVSTJZSA-N 442.560 4.819 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690632999 BCTCYJDYRZVSTK-CQSZACIVSA-N 429.284 4.981 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccccc2C(F)(F)F)C1 1690690205 UBPZVPQWBOGNTG-SFHVURJKSA-N 446.473 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOCC(=C)C 1705477572 PUAWXLVSLHKCDX-OALUTQOASA-N 430.980 4.739 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705604327 KDRXJXSNVMERDS-IPJJNNNSSA-N 442.579 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N1CCC(C)CC1 1705668399 LBMFDYJEQWHZDW-CAKYRVLISA-N 433.644 4.933 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC1(C)C 1705693899 LWDJLCPKXOHAMG-PZJWPPBQSA-N 437.588 4.507 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCCc1ccccn1 1705758871 GGSVAUYDQALLDS-UHFFFAOYSA-N 432.355 4.727 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC(CCCO)CC1 1705814851 CAQUCRSWGPONSW-UHFFFAOYSA-N 433.394 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cc(F)ccc1OC 1705865720 TZSKOGCPPFEREK-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1705877891 PPRLVKNTYWAABX-UHFFFAOYSA-N 439.604 4.504 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC([C@H]3CC3(F)F)CC2)cc1 1705911243 CFRSMKQONKPUBT-OAQYLSRUSA-N 430.543 4.961 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCC=CO1 1706743246 GJHVILYNGIBYAW-ICSRJNTNSA-N 433.512 4.548 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CC(C)C)CC1 1710564649 APDNMLWYJGEAMN-XMMPIXPASA-N 441.551 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(C)s1 1722284221 IOFDGRKPPXCYEH-AWEZNQCLSA-N 429.387 4.892 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1 1722495419 RUAYFSSCDNBPOR-FSSWDIPSSA-N 437.613 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC1CC(F)C1 1722505627 RSSNGSSLVMQPNN-UZSNPODYSA-N 442.579 4.639 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CCC)CCc1cccs1 1722507964 QOWZULCIBXNASW-DENIHFKCSA-N 439.629 4.785 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC=C(C)C)CC1 1722572851 GJENPDIBUPXFOR-UHFFFAOYSA-N 427.980 4.620 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2c(C)nn(C)c2C)CC1 1722575069 WRPWUGIFDGUFCK-OAQYLSRUSA-N 448.615 4.836 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCCCC1 1722634688 HDSDFWYLNZPNRU-UHFFFAOYSA-N 432.410 4.514 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCC2)c1 1722639506 NLZCMRQTGWNFSB-UHFFFAOYSA-N 437.975 4.909 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1ccncc1Cl 1722674509 DEHDGIFOAUPDCP-UHFFFAOYSA-N 444.970 4.596 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)CC(C)(C)C1 1722708288 OTABFAVMCDDRQH-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722742897 KHIUCQDILPLOTK-HDICACEKSA-N 436.572 4.812 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCO[C@H](C)C2)CCS1 1726471312 GKBGQHCMJRXBBU-DXIQSLLYSA-N 439.629 4.600 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)C1 1726501869 IECQOETUNJSVHE-HUUCEWRRSA-N 439.507 4.607 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1csc(CC)n1 1740534284 GQHSZWWMCWKIGC-LSDHHAIUSA-N 429.977 4.597 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(OC)C1 1740566638 BADRDHMPHLDVTK-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1740572443 LGWRLRTWIMWHFY-LJQANCHMSA-N 442.007 4.535 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCN(CC(C)C)C1 1740649449 UNULZAVBAKZFEG-AOYPEHQESA-N 445.655 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCC1(C)C 1740659483 NNSZEZNOSQPZRX-NRFANRHFSA-N 434.584 4.545 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H](c1ccco1)N1CCCC1 1740675858 KHYDPPTZMOBYGH-JOCHJYFZSA-N 435.547 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1C[C@@H](C)O[C@H](C)C1 1740727901 FJVFUVBTZPSPNL-CKNGIIGNSA-N 430.955 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cc(C)cs1 1740757643 WSLYJKVJCOQQOV-KNQAVFIVSA-N 438.597 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1cnc(C)s1 1740767946 BHLJNRMJKADPOU-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1nc2cc(Cl)ccc2s1 1740771284 ZKFOBNVCLJSUJD-UHFFFAOYSA-N 426.977 4.997 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H]2c2ccc(OCC)cc2)nnc1[C@]1(OC(C)C)CCOC1 1740785106 KMJZEGCRNSPJDD-DHLKQENFSA-N 440.588 4.635 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC(CN(C)C(C)C)CC1 1740790657 LONINCWKROXBQN-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740802447 LPDPDBNAQNTANE-XUWXXGDYSA-N 425.360 4.685 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740829064 JBQCGOMOYRYJBQ-FQEVSTJZSA-N 444.023 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(O)CCC)CC1 1740837470 WHGCFSFVABRPQD-RUZDIDTESA-N 442.604 4.694 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1740839541 KQNNMHBUHCPLHA-FQEVSTJZSA-N 431.584 4.869 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740848907 UIKSBMDYYCRRLY-SIKLNZKXSA-N 441.595 4.976 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2c(ccnc2O)C1 1740858234 LZRVVKUVBRJEBX-KRWDZBQOSA-N 437.519 4.577 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1740863362 WAHDLQBTNZTYRG-IBGZPJMESA-N 443.640 4.613 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1740864154 FXQRZFQRDCJCEA-DEOSSOPVSA-N 430.600 4.725 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H]1CCO[C@H](C)C1 1740893271 DHQRLTZWQDRYRI-HUUCEWRRSA-N 437.357 4.674 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1ccsc1 1740894225 MTCJXEFKAVRCGL-IVZQSRNASA-N 428.627 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1740916535 QCOMWKRGKNHWBB-JOCHJYFZSA-N 443.599 4.705 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccccc2C)C1 1740944234 UDUHIDRBVVMQOG-INIZCTEOSA-N 426.362 4.534 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C)nc2)C1 1740972772 MRRFZIXHCGCNIE-GGAORHGYSA-N 447.583 4.568 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C2CCC1(C)CC2 1741004554 FEXACVVPIUDLJM-OTQYULQBSA-N 447.649 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 1748680645 VHVGSHAHXQIWAT-OAQYLSRUSA-N 443.595 4.676 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](c1ccco1)N(C)C 1748686280 MHJFBJOUDUINFR-DENIHFKCSA-N 449.599 4.508 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1748983656 XHCBTAZIZITZAJ-NHCUHLMSSA-N 445.533 4.556 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCc1cccs1 1749040130 NZBYRZYOSSLMGK-UHFFFAOYSA-N 431.030 4.629 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1c[nH]c2ccccc12 1749276771 RXOVGUUQTCAHBW-UHFFFAOYSA-N 426.977 4.894 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(C)(F)F)CC1 1749293734 FUDAJDABPPZJNO-UHFFFAOYSA-N 441.320 4.918 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N(CC)CC)CC1 1749347448 BOSDCGUYHRUKSV-NRFANRHFSA-N 425.621 4.607 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(OCC(F)(F)F)c1 1749474096 LKSGXBPVYWVJNZ-UHFFFAOYSA-N 431.462 4.514 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H](C)c1nccs1 1749541151 JDRJUBFBYBRRRG-KRWDZBQOSA-N 436.560 4.876 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1749554715 XDHUATWACLIIRQ-UHFFFAOYSA-N 436.585 4.592 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)C1CC1 1749554762 YMOMELCQHGUAPI-QHCPKHFHSA-N 444.551 4.562 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1749701596 XBKLSULKBHNGCW-DENIHFKCSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C1 1749718013 AALRSOOZTOBYNO-UXHICEINSA-N 449.020 4.578 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](CC)C1 1749760226 GFVKSYWAJWNOSH-FQEVSTJZSA-N 432.659 4.725 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C)c1nccs1 1751121540 BPXUHPWMKMEKPZ-OAGGEKHMSA-N 428.537 4.556 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC(c2nccs2)CC1 1760157961 BACKNPIBJLZRCV-UHFFFAOYSA-N 435.597 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN(C)C 1760290247 ZSEFCWOQTAQIRZ-MHECFPHRSA-N 444.023 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C(C)(C)C)cs1 1760291129 CKCUYJLERHHNJR-JOCHJYFZSA-N 441.004 4.788 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@H](C)[C@@H]1C 1760303119 BYIFOLNXWTUPCV-UONOGXRCSA-N 433.375 4.930 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC=C(C)C1 1760316091 MGLVYZSHBLNHPD-DXIQSLLYSA-N 426.536 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN1CCC[C@H](C)C1 1760331746 LXXHWURRCLVOJJ-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cc(C)on2)CC1 1760397371 RRBADZPNHANOOY-INIZCTEOSA-N 427.936 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1760410790 QSALPOIDIFASBE-UHFFFAOYSA-N 448.615 4.515 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(C)(F)F)cc1)C1CC1 1760471134 NIOAVZIUSOMVIJ-DEOSSOPVSA-N 446.542 4.634 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCOc1cccc(F)c1 1760487508 WDOAZHCCGSHQPV-SFHVURJKSA-N 442.560 4.644 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1Cc1sc(C)nc1C 1760497320 AJCKWYIROUQLSQ-UHFFFAOYSA-N 430.581 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2sc(C)nc2C)C1 1760537963 ADEUBNDNIIGXPD-IBGZPJMESA-N 444.004 4.696 30 10 IJEE CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)CC#N)c1cccnc1 1760880299 DMWDOLKWHCXXFC-AZUAARDMSA-N 436.535 4.569 30 10 IJEE COCC(C)(C)CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](F)(C#N)C1 1769165937 FFROTUKYQUXOFV-JOCHJYFZSA-N 449.958 4.502 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C 1858814530 GHFSTUDPMRVBJS-INIZCTEOSA-N 428.920 4.655 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C#N)cc2)C1 1860915559 KVHVOYPHIPQUCX-KRWDZBQOSA-N 441.984 4.743 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)/C=C/c1ccc(OCC)cc1 1861584543 YYIGUKMPXZZHFY-ANCZKMTESA-N 434.646 4.813 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2c(Cl)cccc2Cl)cc1 1862395486 YSUPYMPWEXRRAG-FQEVSTJZSA-N 448.346 4.907 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862430369 JBIUDPCOQZRXFU-HXUWFJFHSA-N 431.891 4.873 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862447920 YVNOWQYRXPMAFT-IBGZPJMESA-N 427.884 4.807 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1OC 1862452970 OGXSLWWCVXKHFL-NRFANRHFSA-N 443.927 4.982 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F 1862467655 BLWNFVZAGCBZJR-SGTLLEGYSA-N 432.289 4.965 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2Cl)ccc1F 1862503295 UZHUGYIMBAGNDJ-YWZLYKJASA-N 429.875 4.545 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OCC)c1 1862506461 OADNWYPUWQFPPX-QFIPXVFZSA-N 441.499 4.538 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862518253 FXVXNTDSRWJZIM-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862531946 AMYFNONHHIRPCH-OAQYLSRUSA-N 432.432 4.529 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862534910 WHOSAMFHGPLJPI-NRFANRHFSA-N 448.500 4.997 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(OC(C)C)c(OC)c2)cc1 1862541548 NIMNFKMMOVCWRN-HSZRJFAPSA-N 435.520 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594595 GTJPFFUYWLGNGD-QHCPKHFHSA-N 449.453 4.882 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862614017 VTMLMRKHYFNMCJ-QHCPKHFHSA-N 443.547 4.837 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862655175 BDILISZLNSVXKA-JLCFBVMHSA-N 446.459 4.830 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 1862673287 BXYKXPBKGTYLOX-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)c1 1862699601 WVEUOMBONYKQOF-MWTRTKDXSA-N 429.472 4.740 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2Br)=C(c2ccc(OCCC)cc2)C1=O 1863349385 KPLTZVZVZJRAHV-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2ccc(C)cc2)C1=O 1863620116 NQAVQLCRQIZNCL-UHFFFAOYSA-N 436.600 4.771 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868378382 KFNMIGFLURNQSL-LJQANCHMSA-N 427.508 4.767 30 10 IJEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)c1ccccc1C(F)(F)F 1870160120 ZPSHHZGYFWVJMW-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870827655 RQADSLMXKQASOH-UHFFFAOYSA-N 425.872 4.787 30 10 IJEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCC3(CC2)OCCO3)C4)cc1 1871347885 AXIHHRNBCUSNDW-UCQKPKSFSA-N 447.531 4.757 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])ccc3C2=O)o1 1871373450 HEWZQPCWRCQBMS-GRSHGNNSSA-N 425.780 4.985 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1)S(=O)(=O)C1CC1 1872305927 RQSNPYMFGULMRB-OAQYLSRUSA-N 432.973 4.699 30 10 IJEE C=CCNC(=O)c1ccc(Cn2c(Cc3cc(OC)ccc3OC)nc3ccccc32)cc1 1873508094 CCWXWAFJUZJBRE-UHFFFAOYSA-N 441.531 4.608 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc2n1CCOC 1873589852 SKNITIBSKISALH-WOJBJXKFSA-N 443.636 4.650 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCc3ccco3)ncnc21 1873623683 MZYXIUDVXGKWJU-UHFFFAOYSA-N 425.851 4.867 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCCO)cc1 1874268361 SXMANLCLACLDGD-ZVHZXABRSA-N 444.988 4.775 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874278996 NUOUSPCYPKWEJQ-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE CCOc1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SC)cc1OC 1874281621 SMQNJDSEGTXBEJ-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874441535 AWTMBLMRIAFBDQ-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE CCOc1c(/C=N/n2c(COC)nnc2SCc2cc(C)ccc2C)cccc1OC 1874501547 MSCQIBCHFXWRKB-ZMOGYAJESA-N 440.569 4.623 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1nccs1 1874635014 CYPOCDLJELAKQU-FNORWQNLSA-N 436.533 4.991 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1 1874697575 DZPMFQIXXMVKMN-BJMVGYQFSA-N 448.387 4.627 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 1875192276 DANXGRBKIBZRBL-JXMROGBWSA-N 435.432 4.595 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNc2cc(Br)c(C#N)cc2F)C1(C)C 1885859399 PPILDKXCHLYWEW-MLGOLLRUSA-N 426.330 4.811 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)c2c(Cl)ccc3cc(Cl)cnc23)CC1 1890551676 WWIDDBDCZMKHAF-UHFFFAOYSA-N 441.318 4.739 30 10 IJEE CN(CC1CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1)c1cc(C(F)(F)F)ccn1 1891363623 RYWXEMBEZOJRPO-UHFFFAOYSA-N 449.370 4.645 30 10 IJEE CC(C)(c1ccccc1C#N)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952553565 UCUXVZWGCJNGPM-XMMPIXPASA-N 440.499 4.828 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)(C#N)C1 1985178910 MKISWEDYLCACPM-ACGZXGOHSA-N 445.563 4.748 30 10 IJEE CCN[C@@H](CC#C[Si](C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1987472171 XDQNQDFRVAMFFQ-VXKWHMMOSA-N 432.681 4.736 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C12CCOC(CNC(=O)OC(C)(C)C)(C1)C2 2058959383 TUUACMDMTBJLEM-OIEGUCRUSA-N 444.616 4.592 30 10 IJEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CCCOCc1ccccc1 2066522212 KSZCMDFLCVCTCL-GOSISDBHSA-N 443.418 4.564 30 10 IJEE Cc1c(C(F)(F)F)nn(-c2cc(C(F)(F)F)ccc2F)c1I 2079825524 XGVJNKSFCPIEDL-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)c(F)c1F 2079893393 OQHIKINEXBJRPC-QGZVFWFLSA-N 439.247 4.823 30 10 IJEE Cc1cc(C)c([C@H](n2nc(C)c(C=NO)c2I)C2(C)CC2)c(C)c1 2079958802 RMCVOOXFRWRYNH-KRWDZBQOSA-N 437.325 4.919 30 10 IJEE N#Cc1c(C(F)F)nn2c(Cl)cc(-c3c(F)cccc3I)nc12 2081398032 YWIUYONQPZYSNA-UHFFFAOYSA-N 448.573 4.603 30 10 IJEE CC1(C)C[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCN1Cc1ccccc1 2098834664 DEIXFEXCNRXABH-XMMPIXPASA-N 434.433 4.519 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(c2cc(Br)cc(F)c2C#N)C1 2118156301 JNEQTPMULOFDMA-OLZOCXBDSA-N 426.330 4.542 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2c(F)cc(Br)cc2F)C1 2126627568 NSURHBXRSPYKAS-UHFFFAOYSA-N 431.277 4.527 30 10 IJEE CC1(C)OB(c2ccc(CN3[C@H]4CCC[C@H]3CN(Cc3ccccc3)CC4)cc2)OC1(C)C 2166725144 REQHRZWUPNOZIE-UIOOFZCWSA-N 446.444 4.615 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2N1Cc1ccc(Br)cc1C#N 2174596468 GYOIYYWKJUMUGP-CCKFTAQKSA-N 434.378 4.588 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@@](C#N)(C3CC3)C2)c1 2181044658 IHFOTTUJYNVUTL-FQEVSTJZSA-N 434.334 4.562 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C 2221710747 ADWKDHGUDUVZRG-DNQXCXABSA-N 439.600 4.659 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@H](N)C#Cc1ccccc1Br 2235726541 OWLPIZOVIAPIAP-LFGUQSLTSA-N 433.390 4.554 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2235730932 PPXZRYAPEVDCDM-ILZDJORESA-N 435.406 4.672 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2ccccc2Br)cn1 2235731484 QQLVCJMRXKISTG-SFHVURJKSA-N 430.346 4.657 30 10 IJEE Cc1cccc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2268686658 FTMRYTJKHPAFMM-GOSISDBHSA-N 442.365 4.792 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCCN)c1c(F)ccc(Br)c1F 2277209095 JOFFCRJVDQWXCC-FQEVSTJZSA-N 426.301 4.907 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2278271984 NGUWBMRWPJRFKB-CZUORRHYSA-N 445.423 4.867 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)cc(C#N)c2)[C@H](C(F)(F)F)C1 2281178933 OQFGCFDARILXOX-HIFRSBDPSA-N 448.283 4.745 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](NN)c1cc(I)ccc1Br 2284075804 HIGYVMBLFJLTAP-OAHLLOKOSA-N 447.158 4.554 30 10 IJEE Cc1cc(C=C2NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1 2294061068 CGFNVIAVPOWBDM-UHFFFAOYSA-N 430.895 4.712 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2296300741 LYXSNCFLHDZURU-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCc1ccc(S(=O)(=O)N=C2S[C@@H](c3ccccc3)C(=O)N2C2CCCCC2)cc1 2314397165 WBDXDKZAVSHLNU-NRFANRHFSA-N 442.606 4.943 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(Cl)cc1 2320961408 GMQZDOFCOWYPPH-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE CCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc(Cl)cc1 2322236316 HMFFUYWEUCBXES-UHFFFAOYSA-N 430.961 4.903 30 10 IJEE COCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2Br)C3=O)C1 2322328709 MWEIXDJACBGXOC-UHFFFAOYSA-N 444.325 4.562 30 10 IJEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 2324190780 KRZNONZLXUDFHL-UHFFFAOYSA-N 434.423 4.956 30 10 IJEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c1OC 2324398440 KFBZBRZPVWBRFV-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE O=C(CCOc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)Nc1ccccc1 2325474510 MQYDANWOAMVBEG-UHFFFAOYSA-N 430.416 4.619 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C(=O)OCC)o2)cc1 2325589740 FBUUSAUMBJXVGJ-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE COc1ccc(Cc2nnc(SC)n2N=Cc2ccc(Cl)cc2Cl)cc1OC 2326719870 BTJHFNZUKQZFMK-UHFFFAOYSA-N 437.352 4.797 30 10 IJEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2328719959 LHEGPVGKIAAQAV-UHFFFAOYSA-N 435.528 4.931 30 10 IJEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccncc1 2328746274 RKPUCQLROMBTHQ-UHFFFAOYSA-N 447.539 4.998 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc2c(c1)OCCO2 2328858103 CDSYLTTVZOTIKG-UHFFFAOYSA-N 438.553 4.629 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2329115660 TYJFMTYLMKUCCC-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1O 2330091828 FLQQUDBMNWRWAZ-CYBMUJFWSA-N 431.359 4.892 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CCc3ccccc3)n2N=Cc2ccco2)cc1 2330180883 JRYGAWWINFUMCN-UHFFFAOYSA-N 445.548 4.578 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2)c1 2330343038 HRZDWSSGQRRUOJ-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331047048 SEJXURBQJTVJKC-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)c(OC)c1 2331382657 SJCVFAZOBRGVHV-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(F)cc1 2331444113 NUMBKXLJYQENSL-UHFFFAOYSA-N 448.446 4.997 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc([N+](=O)[O-])c1OC(C)=O 2331757587 PDXMGJKIPNQSGT-UHFFFAOYSA-N 433.844 4.785 30 10 IJEE CCN[C@H](C#CC(C)(C)OC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2338208760 JZDXRBQMUADNNL-QGZVFWFLSA-N 425.367 4.875 30 10 IJEE CC[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512189 KFPRXGWDRSPXQB-NHCUHLMSSA-N 446.441 4.576 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339542688 FZSFHJJACQPINF-NHXFIMEASA-N 433.405 4.906 30 10 IJEE N#Cc1c(Br)cccc1Nc1cc(F)c(I)c(F)c1 2341214455 LXRRRRNTMFDXJG-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC1(C)COCC[C@@]1(C#N)Cc1ccc(I)c(Br)c1 2349898071 GPHMGVIXOHSHMK-HNNXBMFYSA-N 434.115 4.553 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682892 ZULVMTXXGIEDME-RFRHCEIRSA-N 447.428 4.768 30 10 IJEE Cc1cc(CN2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369729322 ZZYLJNFFBHPDCM-PLQXJYEYSA-N 446.444 4.533 30 10 IJEE CCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(OC)cc1 16864930 SAFPACIAYQWOMF-ZDUSSCGKSA-N 441.944 4.618 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 33382755 KFKQRGIVANLIHL-QFIPXVFZSA-N 428.419 4.745 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC(=O)c2ccc(F)cc2)c1 35363213 KGXCFUARFNLXLX-QCDXTXTGSA-N 436.435 4.967 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN(CCc1cccs1)CO2 41646037 PJTXZYXVRPDTEO-MTJSOVHGSA-N 448.500 4.976 30 10 IJEE COc1cc2c(cc1OC)/C(=C\C(=O)c1ccc(-n3nc(C)c(Cl)c3C)cc1)NCC2 102597018 QQEONCKRLZCBCE-DEDYPNTBSA-N 437.927 4.529 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(O)cc2)c1 169957768 WHMVIHICJYVPNU-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccc(C)c2)cc1 169971890 LBAIXWDMTJFTCI-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccs2)c(C)c1 169989759 KKNHWPUMFCKDBH-FQEVSTJZSA-N 445.500 4.724 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(C)c2)cc1C 170139987 MEYCCXUNFMTXJR-HSZRJFAPSA-N 437.536 4.624 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)c1 170160494 ZKAZPNJOKWAJKZ-QFIPXVFZSA-N 447.512 4.870 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)cc1 170175844 JGVQKOSRXCFFJJ-DEOSSOPVSA-N 435.483 4.615 30 10 IJEE CC[C@H](C)OC(=O)c1cccc(N2CC(=O)C(c3nc(-c4cccs4)cs3)=C2N)c1 170180992 YVSDSKMTQJMIQE-ZDUSSCGKSA-N 439.562 4.544 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1 170230899 ZFPKVHMRSHIPGB-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 170238146 IQKQRSSXYOWODO-JOCHJYFZSA-N 449.409 4.519 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)c(OC)c1 170271771 OIMGREUOZWMFEF-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)c1 170431522 DTICLKOKKBAFCB-LJQANCHMSA-N 433.426 4.835 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2O)ccc1O 170465270 KEGQPOKDPGOJBY-OAQYLSRUSA-N 445.899 4.665 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 303635333 PNEIGHYNZRSIGE-XJFCNFDWSA-N 432.545 4.908 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NC 407386538 DRFVKEZDDMETBN-HOTGVXAUSA-N 433.337 4.717 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCC 407841325 ZKZFETFATKHRLQ-IRXDYDNUSA-N 429.374 4.968 30 10 IJEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(Cc1ccc(Cl)c(Cl)c1)C(C)C 460789882 CFTREFSNVNZLJT-GOSISDBHSA-N 425.360 4.664 30 10 IJEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(c2cccc(OC)c2)CC1 460809128 LPQRSXAVLQNOPU-UHFFFAOYSA-N 443.551 4.546 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(N(C)C(C)=O)c1 467424483 IYWGMMYBMIRKJI-UHFFFAOYSA-N 434.309 4.791 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2ncc(C(=O)OCC)s2)CC1 475560916 KPRPTBQQGAVITB-UHFFFAOYSA-N 442.585 4.526 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 518403303 DWTQQFZHDQKCLN-VGOFRKELSA-N 440.494 4.678 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1c(C)[nH]c2ccccc12 526828038 UHEXIPZUPVFDCY-CFRMEGHHSA-N 433.537 4.591 30 10 IJEE N#Cc1cccc(CN(CCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 586158510 HMCRSCGGLOIRJN-UHFFFAOYSA-N 428.916 4.784 30 10 IJEE CCCCCCCCc1ccc(C(=O)C2=C3C(=O)Nc4ccccc4N3C(=O)C2=O)cc1 606655580 DUVORUHUUDDKAS-UHFFFAOYSA-N 430.504 4.594 30 10 IJEE N#Cc1cc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)nc2ccc([N+](=O)[O-])cc12 610278436 FTGKLSCGSGQNBV-HNNXBMFYSA-N 427.386 4.724 30 10 IJEE CC1(C#N)CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 611560986 QAAMUMVVNRHTPP-UHFFFAOYSA-N 439.441 4.719 30 10 IJEE C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1cncc(F)c1 679816167 GZIBOYFVTHVWGX-SNVBAGLBSA-N 446.326 4.935 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 732473511 WKBRKIDIXREBFA-NHCUHLMSSA-N 443.588 4.573 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1 733202139 ODXYCYQSRUKTJB-SFHVURJKSA-N 445.466 4.689 30 10 IJEE C#CCN(C(=O)/C=C/c1ccnc2ccccc12)[C@H]1CCOc2ccc(Br)cc21 735440608 HCRRWOCYHYHGRN-FNNXTJRKSA-N 447.332 4.996 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 743999091 PGEXLJOJXOOYIQ-FBMGVBCBSA-N 448.519 4.514 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c1=S 764913926 GPZHXWHDHMICRX-GCJKJVERSA-N 436.581 4.695 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SC1CCN(C(=O)OC(C)(C)C)CC1 777932605 JWVBRANVBSNMKA-UHFFFAOYSA-N 430.574 4.535 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H](Cc3ccncc3)C2)c1=S 782290553 MIUJQCNONAPSHS-GOSISDBHSA-N 425.989 4.838 30 10 IJEE CC(C)(C)OCC[C@H]1NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 804200576 NUPGKBVXOOTJLG-AZUAARDMSA-N 425.916 4.625 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809894288 AEJKBPZANXTEHG-MUUNZHRXSA-N 438.575 4.739 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)OCCO3)cc1 917613766 USOXVSYEHPSXTD-UHFFFAOYSA-O 444.536 4.503 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC 1125478498 LPBQUYSCLQLDKR-UHFFFAOYSA-N 446.334 4.855 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2nnn(-c3ccccc3Br)c2C)c1 1125755629 MIPOXDFVIXUHTR-UHFFFAOYSA-N 427.302 4.545 30 10 IJEE Cc1ccc(-n2nc(Br)cc2C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 1127409257 BEMWDTJDNIRWEV-UHFFFAOYSA-N 435.325 4.620 30 10 IJEE C#C[C@@H](NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)c1ccc(Cl)cc1F 1129736299 ZGLDHJIQDDJFHZ-JOCHJYFZSA-N 437.946 4.691 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(CN2CCCCCC2)c1 1136479357 IKWFTKSGFZCQFL-UHFFFAOYSA-N 444.579 4.743 30 10 IJEE C=CCOc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1OC 1136700094 XQWYBCNOUMMRRX-UHFFFAOYSA-N 435.451 4.975 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2ccccc2F)cs1 1139227781 XQJLCWQDGQNWMF-HNNXBMFYSA-N 439.940 4.601 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1139437753 BNVXKEYFSUMCSG-RPBOFIJWSA-N 432.564 4.666 30 10 IJEE C#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(Cl)c1 1179656959 YJUPFSJEOIWGCR-QHCPKHFHSA-N 432.907 4.798 30 10 IJEE C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1)C(C)C 1184099365 SXKOIIBWJQJABW-UHFFFAOYSA-N 436.961 4.576 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 1196281741 YFZBEJXRSNLNOP-MRXNPFEDSA-N 439.409 4.545 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NCc2c[nH]nc2-c2ccc(Br)cc2)n1 1201954095 HFXAROHHQZZFRN-UHFFFAOYSA-N 437.276 4.648 30 10 IJEE CC(C)(CNC1CCC(Oc2ncccc2C#N)CC1)c1ccc(Br)cc1 1202074018 HJVXNEVIKMBZIK-UHFFFAOYSA-N 428.374 4.973 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1Cc1ccccc1Br)C(C)C 1211222727 NFIAZRNEJZAFRU-RBBKRZOGSA-N 448.449 4.864 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 1211240776 ADZLYYKAYBCTCB-UHFFFAOYSA-N 432.929 4.980 30 10 IJEE C[C@](NC(=O)NCCC1CCN(CC(F)(F)F)CC1)(c1ccc(F)cc1)C(F)(F)F 1220258351 CTJFTGTWIYZJNQ-KRWDZBQOSA-N 443.407 4.567 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)COc1ccc(F)cc1 1224269050 LRJVKDQZVHAPPF-AWEZNQCLSA-N 439.300 4.892 30 10 IJEE Cc1ccc(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(O[C@H](C)CC(C)C)c1 1230388982 DOYCKPISAMWFBM-CJFMBICVSA-N 435.568 4.963 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1251548942 PONKYMAZCOSVGJ-UODIDJSMSA-N 449.643 4.852 30 10 IJEE C=CCc1cc(C(=O)N2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)cc(OC)c1OC 1265146602 DDOTYEVRWCTYSQ-QFIPXVFZSA-N 444.522 4.620 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(OCCC(C)C)CC1 1286337223 CHEBVQFTQQWKNG-UHFFFAOYSA-N 446.599 4.780 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1286402508 DHCKCZITUNWZTK-UTKZUKDTSA-N 442.966 4.652 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C1CCCCC1)N(C)C 1286453770 WTMRIKWQDXGIOW-WMZHIEFXSA-N 441.595 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)N(C)C 1286582691 DRZQGZZPVBWFIG-OAHLLOKOSA-N 426.392 4.516 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(F)(F)F 1286599983 GGTLKLNFSDICOO-QGZVFWFLSA-N 426.483 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](CCC)OC)CC1 1286655850 TVIAVGDYKCCICJ-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)Cc1ccc(F)cc1 1286665876 FDFJMYCBDMOVEX-UHFFFAOYSA-N 436.535 4.693 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(C)cs1 1286671518 YUDIQOZZRSNSNV-UHFFFAOYSA-N 427.574 4.614 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286689203 YPFHBORWQYRJRM-GOSISDBHSA-N 430.543 4.635 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286695674 FPTZNAMKGLUAQZ-RBUKOAKNSA-N 437.371 4.602 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCS1 1286740862 YMDXNGCTMCQSDW-RUZDIDTESA-N 449.624 4.751 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1286971244 GUOVLFOKGCDSIW-LMDPOFIKSA-N 443.567 4.576 30 10 IJEE C#Cc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)cn1 1290968369 IPPNJSOOHOSWBB-XMMPIXPASA-N 429.589 4.777 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1300512381 PIMJKLFNEPUKRI-LNLFQRSKSA-N 448.464 4.924 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1sc(C)nc1C 1300601315 GAYJFOWFXNAEPW-OAHLLOKOSA-N 429.977 4.653 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCCN1CCCC[C@H]1C 1300643759 MLQMMHNTNOWDPN-OAQYLSRUSA-N 425.646 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1[C@@H]1C[C@H]1C(C)C 1300815979 FCNHUFQBLGSQQS-NNMXDRDESA-N 443.389 4.829 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1300897459 RQSZVQADSNXABU-HSJYVMOXSA-N 442.579 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN(C(C)C)C1 1300920433 ABKMJNDNVZWVOU-QFIPXVFZSA-N 434.632 4.804 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1C(C)C 1300979488 ASRDQOFRCUTGTJ-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1301185421 CNJJBPJLQSXBHP-UHFFFAOYSA-N 444.461 4.649 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNC(=O)C1CCC1)C1CC1 1301317801 ZYCGFBHGLZMWRN-UHFFFAOYSA-N 448.398 4.713 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CC 1301528525 AOPAJBNZQMHRAX-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301611804 RKZZACAMPPPVAA-HSZRJFAPSA-N 432.609 4.569 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(C)(C)C)cs1 1303628784 FQLYXZYFGRYNKN-MRXNPFEDSA-N 433.585 4.552 30 10 IJEE C=CCn1c(SC[C@H]2CN(C)C(=O)O2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1307245725 KOLVCWDCZMKZME-HZPDHXFCSA-N 446.642 4.886 30 10 IJEE C[C@@H](CCC#N)CN1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1308812961 HQLSXJQDGMKNEZ-SFHVURJKSA-N 429.609 4.643 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 1313407761 NGCOJHXGTNYRSD-UHFFFAOYSA-N 427.879 4.691 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCCN(c3ccccc3OC)CC2)c1=S 1335299890 MLNWFPJHWUQLIL-UHFFFAOYSA-N 441.626 4.507 30 10 IJEE C=C(C)COc1cccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1 1358196832 PEUMEEJKHBGGJI-UHFFFAOYSA-N 427.566 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1nc2c(s1)CCCC2 1358896500 FXAFQKLOMSRCKN-IBGZPJMESA-N 449.624 4.510 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@](C)(CC)C1 1358905676 IHIPXQPKNWQWBK-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC=CCC1 1359049702 UYDJHTDOEDKZBC-GOSISDBHSA-N 431.005 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@](C)(O)c1cccs1 1359107610 QHPKXZKXVKFINL-HXOBKFHXSA-N 444.576 4.929 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccc(F)cc1)C1CC1 1359118123 POPVLPYBJCBACZ-UHFFFAOYSA-N 430.325 4.920 30 10 IJEE C=C(Cn1c(N2CCn3cc(C(F)(F)F)nc3C2)nnc1C(C)(C)C)c1ccccc1 1359140467 CBUYXGRHHRQHAW-UHFFFAOYSA-N 430.478 4.525 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(OCC)cc2C1 1359145910 HYJVEYSISACLAB-UHFFFAOYSA-N 430.339 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1359186370 DGBPMZDUBSAMHD-BJLXPSRBSA-N 425.602 4.810 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cnn(CC(C)C)c1C 1359234691 XCANCIVAOUIXLE-UHFFFAOYSA-N 449.422 4.601 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1Cc1sc(C)nc1C 1359254120 GGTIDURDXVISTM-UHFFFAOYSA-N 434.569 4.596 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)cc1 1359264156 WKTWLLBHFIJPJW-LJQANCHMSA-N 426.561 4.808 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)S[C@@H](C)C1 1359338266 QEOBDWQVTSNODI-IRXDYDNUSA-N 440.642 4.585 30 10 IJEE C=CC[C@@]1(C(=O)NCCOc2ccccc2C(C)(C)C)CCCN1C(=O)OC(C)(C)C 1360208216 WSXHAQDFQMCXAA-VWLOTQADSA-N 430.589 4.825 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)cc1 1435207946 XGZJLCRCWRUGDC-UHFFFAOYSA-N 440.341 4.998 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)c1ccc(Br)cc1 1450279231 XQLKGAIWQPXIPF-GOSISDBHSA-N 441.256 4.538 30 10 IJEE CC#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1452867835 YSOBKZYSSLFESS-DHUDHEQZSA-N 440.543 4.624 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 1465312404 GQIYAMWFGYRTOJ-YADHBBJMSA-N 441.959 4.857 30 10 IJEE C=CCN(C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)[C@@H](C)COC 1469312429 DWSOVXSZAFJVLY-MGPUTAFESA-N 435.337 4.910 30 10 IJEE C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@H](OC1CCOCC1)c1ccccc1 1470557201 DQRSQLNJDCARMZ-MUEKUWCCSA-N 433.552 4.560 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C)c1ccccc1 1475627601 VRHKEGHMXYFYES-FDDCHVKYSA-N 426.582 4.923 30 10 IJEE CC(C)CCOc1ccc(NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c(F)c1 1476817513 APCAFANBYNGWSJ-UHFFFAOYSA-N 435.503 4.844 30 10 IJEE C#CCN(CC1CC1)C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1477347985 CDPJXEWKIDOENC-QFIPXVFZSA-N 439.650 4.624 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](C)C2)C1 1505213343 AZJJAXOCQNFFEU-KAGYGMCKSA-N 439.629 4.887 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1507555604 CHNNIAQOJZGWTN-MOPGFXCFSA-N 427.980 4.581 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507680314 DCBAYXIMEHJWFC-ICSRJNTNSA-N 446.542 4.847 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2ccsc2)CC1 1507877733 FTTZCQADWUXGKY-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1507914172 GCGDCMGRPVCLNE-UHFFFAOYSA-N 439.579 4.816 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](c2ccco2)C1 1507952781 BRYBVMUWIWGKKU-HXUWFJFHSA-N 440.569 4.716 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(OC)CCCCC1)C1CC1 1507987705 JZVWWUYQRYASQZ-UHFFFAOYSA-N 434.382 4.540 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCN1CCCC[C@H]1CC 1508004877 RKGJIMPCZHQXBV-XMMPIXPASA-N 430.600 4.797 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](c1cccnc1)C(C)C 1508020040 NKQQDOCPJYZTAJ-QPPBQGQZSA-N 445.567 4.804 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@H](C)C1 1508024787 LKWXVNYCEHRWIR-RDPSFJRHSA-N 432.616 4.811 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1c1ccccc1 1508061863 ZSNTVHYBHSXDBD-NRFANRHFSA-N 437.588 4.920 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1509972261 DMYHPAXNBBUWDN-MRXNPFEDSA-N 427.524 4.993 30 10 IJEE Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2=O)cc1C 1519283615 AEHXEYWPTTTYLF-HXUWFJFHSA-N 425.488 4.959 30 10 IJEE CCC(CC)(CNC(=O)c1ccc(Br)cc1C#N)c1ccc(OC)c(OC)c1 1521294358 IFPJAKBJHNLAEK-UHFFFAOYSA-N 445.357 4.826 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 1528291564 WOGGNDDOYKWVFH-NRFANRHFSA-N 440.971 4.504 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC2=CCCC2)c1 1529464191 VJUVUTQQAKCQJK-UHFFFAOYSA-N 430.957 4.561 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C(F)(F)F)cc1 1532559865 VGGDGWQRAVFPDW-LIRRHRJNSA-N 439.792 4.660 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1 1534003131 OSYWZSLQNVIXQW-UHFFFAOYSA-N 432.973 4.597 30 10 IJEE C#CC[C@@H](NC(=O)c1cc(I)cc(C(F)(F)F)c1)c1ccccc1 1535926672 YAWXLTTXBHEQKR-MRXNPFEDSA-N 443.206 4.804 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN(CC)CC 1538977174 SRAUYVYNFKCGAO-SFHVURJKSA-N 436.629 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOCc1ccccc1 1539035587 SMTGRSKQSULYOR-YMPZKCBVSA-N 438.616 4.652 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1539066685 ZAZKLRIGLLVQHH-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CC#N)CC1 1539617378 WBXUMOMFYCDDNU-VXNXHJTFSA-N 433.600 4.931 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1539628490 QDCHYFIYSKOLAY-QFBILLFUSA-N 438.469 4.931 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1539691393 YGOMXPPYJYRQQW-LJQANCHMSA-N 445.405 4.845 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCc2ncc(CC)s2)CC1 1539891821 LEIXUASGXCZEQL-UHFFFAOYSA-N 425.577 4.672 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2Sc2ccccc2)s1 1539894977 CLKMOHLEHPVMAV-UHFFFAOYSA-N 444.603 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1539900010 DXRAMQRJJQWZQB-VWLOTQADSA-N 434.588 4.880 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539926260 KDASOWMQQRWFGJ-QFIPXVFZSA-N 435.660 4.976 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)S[C@H](C)C1 1539953243 PSJCOCWYGFBFAY-GASCZTMLSA-N 438.439 4.733 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(F)cn1)C1CC1 1540098947 NTQQZAOKBSXAHJ-UHFFFAOYSA-N 442.336 4.753 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCCO1 1540185963 XZDRGCHUFIOOGQ-IBGZPJMESA-N 426.948 4.996 30 10 IJEE Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(C#N)c(Br)c1 1544445971 IEOSMEKMRZLXGL-UHFFFAOYSA-N 448.324 4.705 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)on1 1545823212 DVCMJEUGWFMOEA-UHFFFAOYSA-N 440.498 4.992 30 10 IJEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1554180424 AWOIBELWYOECFC-UHFFFAOYSA-N 444.442 4.570 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@@H](c3ccccc3F)C2)cc1 1559859521 FTBBYFYTXFRAJG-LJQANCHMSA-N 446.526 4.542 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(F)c(F)c1 1563892013 AWGHXHOEIZPNEG-YADHBBJMSA-N 449.929 4.608 30 10 IJEE C#CCN(C(=O)c1ccc2ccccc2c1O)[C@@H]1CCOc2ccc(Br)cc21 1565764700 VOQHPELCJRMJEZ-HXUWFJFHSA-N 436.305 4.907 30 10 IJEE C#C[C@@](C)(CC)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1569253293 AEEWBBYHOYLGPJ-VWLOTQADSA-N 436.939 4.761 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCCN1CC 1587909117 CYTOOXDCMIGAMD-TZIWHRDSSA-N 444.023 4.632 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC1CCCC1 1587945164 HQZBFUBQOZYOGH-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCS1 1588559759 JTULLNKMDUDHHK-NRFANRHFSA-N 440.613 4.995 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)c1ccco1 1593718350 VHMANOMTPJJLHD-INIZCTEOSA-N 430.936 4.990 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(C)on1 1594455861 XGIBTYHSHKBOMS-UHFFFAOYSA-N 447.381 4.581 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2CCCO2)CC1 1594659630 FAECVPKQBLLHLG-BHIFYINESA-N 430.637 4.948 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCc1ccc(Cl)s1 1595116468 SAFACODRYUUDLP-UHFFFAOYSA-N 438.988 4.829 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)C(C)C 1595166327 SKNOBKXWFLBQKE-SVFBPWRDSA-N 446.590 4.699 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1nccs1 1595854953 SRTZJRYSKUMCLL-UHFFFAOYSA-N 436.006 4.619 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(COc4ccccc4)c3)n[nH]2)c1C 1597091934 CPUIQJZETNSRCU-UHFFFAOYSA-N 427.508 4.907 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1 1606965907 BDTALYOALDTMQJ-GXRSIYKFSA-N 445.652 4.514 30 10 IJEE C=CCOc1cccnc1C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1611077336 GAGOGHFRWSHZQJ-RUZDIDTESA-N 447.966 4.847 30 10 IJEE CC(C)(Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(F)cc1 1611766952 FEBZVTRLQJFYAL-RDPSFJRHSA-N 425.552 4.767 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 1624782126 WBZUSGSDRSWHMG-UHFFFAOYSA-N 435.549 4.788 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCCc3c[nH]c4cccc(Br)c34)cc2n1 1627664644 WYHGZHFAYSUBGJ-UHFFFAOYSA-N 438.329 4.830 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1OC 1635056405 ACDRYVOQIZXZGG-QXHGNLAOSA-N 448.485 4.711 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2cc(Br)c(C#N)cc2F)C1 1640404066 YCKWSTYZSJHXQT-GFCCVEGCSA-N 448.283 4.764 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 1640516385 MYOTZFJTOSKTNC-GOSISDBHSA-N 444.494 4.836 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)cc1OC 1640839516 SVCWKZSKSYEXCW-FLJMFPIGSA-N 431.891 4.666 30 10 IJEE C#CCN(CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCc2ccccc21 1644648094 ZAVAMXNVEMTTJJ-NRFANRHFSA-N 429.333 4.930 30 10 IJEE C=C1CCC(CNC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)CC1 1651541291 XLCTYBQPBWZQEL-UHFFFAOYSA-N 431.330 4.795 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C(C)C)nnc1-c1ccc(OC)cc1 1652409598 TYHNSDHKJQEQNO-UIFIKXQLSA-N 442.629 4.951 30 10 IJEE C#CCN(Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCOc2ccc(Br)cc21 1652514823 DQDOXCZZXIPNTG-MRXNPFEDSA-N 436.252 4.730 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1OC 1656037104 LYDRRCHTMJBSNY-RTBURBONSA-N 445.003 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)Nc2ccc(CC#N)cc2)C1 1657641026 GUOWNXJOVUMUOU-PZJWPPBQSA-N 426.561 4.786 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)c1 1658979604 MHQQSVWHPGCLRN-MRXNPFEDSA-N 447.457 4.846 30 10 IJEE CC[C@](C)(CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)OC 1661514986 BVDADHOLMPHDPD-GOSISDBHSA-N 426.464 4.561 30 10 IJEE CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 1667224065 GNBRTPJCBBEHBL-LEWJYISDSA-N 448.972 4.669 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(F)ccc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1668171646 DENQJEGWHSYUNG-KRWDZBQOSA-N 445.434 4.617 30 10 IJEE CCOc1cccc(CN(CCO)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 1668491745 FYAIUDYVOOASPL-UHFFFAOYSA-N 431.492 4.776 30 10 IJEE Cc1ccccc1Oc1ccccc1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1668588508 DKQIIUWHUJIQRR-XMMPIXPASA-N 440.547 4.707 30 10 IJEE Cc1csc(NC(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)c1C#N 1669739689 ACOFKDSLVZBGTE-UHFFFAOYSA-N 432.549 4.861 30 10 IJEE C=CCC[C@H](NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)c1ccccc1 1670776382 YGFZYFJAEQJSJR-QHCPKHFHSA-N 442.567 4.574 30 10 IJEE C#CCC1(NC(=O)Nc2cccc(Cl)c2-c2nnc3nc(C)cc(C)n23)CCCCC1 1672266217 MAOPYKNCAPEMQA-UHFFFAOYSA-N 436.947 4.909 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1672461907 HTOHACMXTBDSFX-QGZVFWFLSA-N 438.380 4.948 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 1678200164 LSYNBPKDOKKLAG-TZIWHRDSSA-N 447.551 4.696 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1678228190 AEGGVYMIDOZFGU-SXSPYAJSSA-N 426.582 4.614 30 10 IJEE C=C(CNC(=O)NCCSCCOc1cccc(Br)c1)c1ccccc1 1678942342 JHUIZPIAVHSLIZ-UHFFFAOYSA-N 435.387 4.574 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccnc(SCC)c1 1680342230 VAXAJDZQKZMUAR-UHFFFAOYSA-N 438.366 4.993 30 10 IJEE Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 1680622441 GAZNSABYQXQXKJ-ZQHBMWIYSA-N 432.568 4.929 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)c3ccc(NC(=O)c4ccncc4)cc3)cc2n1 1680698645 URRCGHRABRZGMM-KRWDZBQOSA-N 440.507 4.752 30 10 IJEE C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681515185 GWTNWMNCYCKJRV-HOIFWPIMSA-N 438.959 4.541 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 1681941955 GMPZFODTVPYXCO-XLGIIRLISA-N 441.616 4.900 30 10 IJEE C#C[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccc(F)cc1 1682348202 CACRHIHSJDUKML-WIYYLYMNSA-N 437.515 4.728 30 10 IJEE N#C[C@H]1CN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)CCN1Cc1ccccc1 1683406620 ADUMVIVVSFBWBE-DQEYMECFSA-N 434.559 4.867 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccc(Cl)cc1 1683676717 UGFJQBMCLZJAFK-RBUKOAKNSA-N 433.733 4.560 30 10 IJEE C=CCCC1(CNC(=O)N2CC[C@]3(CN(Cc4ccccc4)C[C@H](C)O3)C2)CCCC1 1683985294 WXLWHIWSESMQMR-NVQXNPDNSA-N 425.617 4.588 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 1687036797 VSARNUYGFCTIKU-RDPSFJRHSA-N 445.051 4.771 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1CCN(CCC(C)C)CC1 1689830713 CBGVHKYZASRUKK-HSZRJFAPSA-N 447.671 4.964 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC1COC(C)(C)OC1 1689919321 JWYFXHWJHLDOCV-UHFFFAOYSA-N 437.371 4.501 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(CC(C)C)CC1 1690092616 OMLNJVIVTCBNBZ-UHFFFAOYSA-N 448.590 4.745 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1690479120 VPQPBMDHIWBAGI-UHFFFAOYSA-N 433.556 4.666 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCOC(C)(C)[C@@H]2C)cc1 1690680979 BTWVANOLQWZZHP-SFHVURJKSA-N 438.597 4.547 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690683128 BQIHRNDWDDOUPJ-OAQYLSRUSA-N 426.605 4.874 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1690738423 MHQDHUGMQRBJMF-QGZVFWFLSA-N 442.658 4.606 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)CCO[C@H]2C2CC2)cc1 1693157351 AHMGCLRHRBTLJA-RVSNTGDXSA-N 439.629 4.822 30 10 IJEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCC(F)(F)C2)CCO1 1698490528 DDPTUQZAXMBESP-MAUKXSAKSA-N 435.906 4.543 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705487089 RTNHCYIRYUZLLY-GJZGRUSLSA-N 425.989 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1c(C)sc(C)c1Br 1705499642 VWBHCRVNEGCAFX-CYBMUJFWSA-N 435.435 4.958 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCc2cccnc21 1705505843 OQAOQSSLUQJTJA-AZUAARDMSA-N 447.608 4.552 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1705520898 KFLCSXUDNUNFPC-HSZRJFAPSA-N 446.599 4.624 30 10 IJEE C=C(Br)Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)C(C)C 1705681827 HKPSKYRWHBZORZ-UHFFFAOYSA-N 446.162 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CN(C)C(C)C)CC1 1705705230 FGTNNEWPHXJBPF-UKILVPOCSA-N 443.680 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1cscn1 1705706675 YIRNNURWJUEBAT-REWPJTCUSA-N 437.613 4.528 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@@H]1C(=C)C 1705712150 LGNSAYXDRGAEQT-LAUBAEHRSA-N 430.980 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1705716399 JRMCFXUMPTUQQS-OAQYLSRUSA-N 439.648 4.538 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1705770627 OGGHKWQVTUNIRR-UHFFFAOYSA-N 436.629 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1705777643 IZGBGQXJOTYLDX-LJQANCHMSA-N 429.012 4.516 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(C)CCCO2)CC1 1705777855 RGNHCIPNBCURSQ-LJQANCHMSA-N 437.407 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705792880 FGWDNXRWQPEXBX-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1705828412 MYWMKRRLXXJDBU-JOCHJYFZSA-N 439.629 4.607 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)NC1CCCCC1)C1CC1 1705850734 GMSBSKHFGVMROH-UHFFFAOYSA-N 445.970 4.731 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccccc1F)C1CC1 1705856253 MEVQYSNLLXFQCQ-SFGWALBWSA-N 442.579 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(C)CCCS2)C1 1705921537 UNOTYNXLDXYXNQ-IIBYNOLFSA-N 436.984 4.805 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1722321121 WHOOWGXWBGNWJE-XLIONFOSSA-N 443.389 4.802 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@H]2CCCO2)CC1 1722328701 XJBZUZKPISOKPL-ZJSXRUAMSA-N 436.600 4.844 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722329528 BSMSJEGEEYVJEJ-UKRRQHHQSA-N 441.295 4.756 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722361893 JMVPZYNNCHILMG-WZONZLPQSA-N 446.064 4.804 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1cccnc1Oc1cccc(F)c1 1722400520 RSJGKWALAQAORD-UHFFFAOYSA-N 443.526 4.773 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C/c1ccccc1 1722411384 FHOJZWQLQWRWNG-QMUTUGEISA-N 449.599 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(OC(C)C)c1 1722503188 BUFDWXIIFJQWEK-QPPBQGQZSA-N 449.599 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCC[C@H]1C 1722517004 JOVCNPZPBJKLCE-JPYJTQIMSA-N 430.618 4.533 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1722525801 IXJSZYKVQMWANO-IPMKNSEASA-N 442.608 4.663 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722536307 MREFIJNFOHHGMA-OAQYLSRUSA-N 444.645 4.723 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)CC1 1722564307 NBDMKODCMDDYLT-GOSISDBHSA-N 426.952 4.515 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1722582342 KUHHFMPPECNVQE-HSZRJFAPSA-N 430.980 4.728 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722609502 XJTWMMRTLLTIQR-KJNZLNQQSA-N 430.980 4.899 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCN1CC)C1CC1 1722645621 TVCGQOWWOWNJAC-IBGZPJMESA-N 431.531 4.576 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@H]1CCCCC1(F)F 1722655484 DTIJSTKAMGCQFW-HXUWFJFHSA-N 429.515 4.704 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC(C)(C)SC 1722658355 HOOCVDJTZBGVEI-UHFFFAOYSA-N 427.643 4.968 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CC1(OC)CCC(C)CC1 1722658598 XOMYYWLGQUZWII-UHFFFAOYSA-N 432.572 4.523 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CC 1722740797 YVYCPLJATSAVNN-ROUUACIJSA-N 435.638 4.648 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C1CCC1)OC 1727152256 BTCUUJYRLCGILO-JOCHJYFZSA-N 437.588 4.703 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1740539066 AMFQTHQYKIZJKS-RTBURBONSA-N 439.604 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1C1CCCCC1 1740558161 SYUVALWWKHKCGN-UPVQGACJSA-N 449.643 4.729 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1740567099 NUUQIVBXBIYJHW-TZIWHRDSSA-N 440.563 4.614 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1nccs1 1740570344 PGQDICXZIJPBDI-UHFFFAOYSA-N 448.365 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C 1740753783 ODVXMHBFILMVSI-WDYCEAGBSA-N 431.378 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1740849547 MYTQQQOKOBBHNH-RXVVDRJESA-N 437.613 4.894 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740869871 CLJGDPVUGXLTQM-RBUKOAKNSA-N 440.588 4.954 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(Cl)nc1 1740903613 FOFIEFLGWIEKAU-UHFFFAOYSA-N 425.964 4.874 30 10 IJEE C=CCN(c1nnc(CC(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1740910659 QYJHYSHOHQJBSC-LJQANCHMSA-N 431.625 4.811 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C(C)C)N2CCCC2)C1 1740975459 VCGVLKGDPTVBTI-VXKWHMMOSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1740998634 PDINMPXTBPCWPB-LJQANCHMSA-N 438.601 4.755 30 10 IJEE CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCc1cc(C(F)(F)F)ccn1 1746015815 FSLPBOIJXOWTGZ-UHFFFAOYSA-N 442.489 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(C(C)C)n1 1748674145 PYAXWMZDMOEBIG-INIZCTEOSA-N 428.005 4.803 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1748708119 VWMCVOMCVOWDCA-LJQANCHMSA-N 448.571 4.648 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1749040148 OSSFLRQOLMXYEW-UHFFFAOYSA-N 440.510 4.543 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1749195666 WTSKAUDPDWLAMG-LPHOPBHVSA-N 427.326 4.743 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(C)CCCS2)CC1 1749346984 FLTCTPCCVNGAHY-DEOSSOPVSA-N 442.629 4.944 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2COCCC)CC1 1749348875 ZVOADXWHTZTRRA-UHFFFAOYSA-N 448.615 4.517 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCc1sccc1C 1749532613 XZYMCQXNLYKATH-UHFFFAOYSA-N 442.592 4.961 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OCC2CC2)C1 1749763791 IXKJSGVHCWLVNU-NJDAHSKKSA-N 448.677 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1CCN(CCC(C)C)CC1 1760106738 NQZHXSNARBOUJE-LJQANCHMSA-N 428.024 4.815 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(C)(C)C)C1 1760131176 VSHVFOVUFKCZNV-INIZCTEOSA-N 432.410 4.722 30 10 IJEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H](C)c1cccs1 1760284964 WKEKVXGMOWBXKV-KRWDZBQOSA-N 426.611 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC)CC1 1760320919 ZKUJPSLYUROTGR-OFNKIYASSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N(C)Cc1cc(Br)cs1 1760357938 PRULDSGMUOCGKO-UHFFFAOYSA-N 427.412 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1760384016 HJHBLQOYLSMVRN-JKSUJKDBSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@]2(C)CCCO2)CC1 1760399447 NEAFFDMYJWKNQB-RUZDIDTESA-N 440.588 4.714 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCC(OC)CC1)C1CC1 1760472148 XGWSYJASNVKNDU-UHFFFAOYSA-N 444.023 4.643 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H]2CC[C@H](SCC)C2)cc1 1760531456 PKCVYVOGEAGZLP-ILWGZMRPSA-N 442.629 4.853 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCCC[C@H]2CC)C1 1760537165 KNOQRSOBABYWPU-RPWUZVMVSA-N 437.632 4.553 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCSC(F)(F)F)C1 1760538121 WBTSPRKNGOCBKL-INIZCTEOSA-N 449.502 4.528 30 10 IJEE Cc1csc([C@@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CC#N)n1 1762213644 AADIUXBDDBGJLP-RDJZCZTQSA-N 433.585 4.657 30 10 IJEE C[C@@H]1C[C@H](CCn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1762740137 HTVKSYDNTXJMIC-HNVPCBRESA-N 435.616 4.789 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](C)N(C)C1CC1 1772523305 QKKYKDMSSCAFSV-JIPXPUAJSA-N 449.643 4.845 30 10 IJEE COCCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](C#N)c1cccc(Br)c1 1857960308 IWSMEDLJQDHKRP-FQYNAJQUSA-N 431.374 4.705 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)c1 1860160092 VFQIDGFYHNTMNR-UHFFFAOYSA-N 439.393 4.847 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc(NC(=O)C(F)(F)F)c1 1860514298 FKWFDJAXUQUVOI-UHFFFAOYSA-N 445.241 4.872 30 10 IJEE CCOc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860827544 UOZTXFHXQFLBRB-UHFFFAOYSA-N 440.912 4.504 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861214870 KAOJNGURRRBFAD-VWNXMTODSA-N 445.623 4.505 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)COc1cc(Cl)ccc1Cl 1861654638 MZBLPLLBJGMXNK-GOSISDBHSA-N 429.388 4.840 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1861895732 WMIYRFKTDGUZTE-QHCPKHFHSA-N 444.579 4.643 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862418649 KVYCFWCJVIMYHE-OAQYLSRUSA-N 429.463 4.988 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(Cl)c1 1862502456 AHSRFSJNBOCJOB-FQEVSTJZSA-N 431.891 4.792 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Br)ccc2F)ccc1F 1862513127 PUBVCSPGWQVOKN-GOSISDBHSA-N 448.263 4.776 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc2ccccc12 1862562160 ZCTCKRWHPVABBS-DEOSSOPVSA-N 444.531 4.815 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862625621 KVJINLUYFALEFY-ZDWFVDTJSA-N 433.504 4.881 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(OCCCC)cc1 1862645189 BWJMCOMJLZNPFB-QFIPXVFZSA-N 439.483 4.778 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 1862716031 WQNFLNBZNPJYEB-QHCPKHFHSA-N 432.495 4.509 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C)cc1 1862722721 XPBIQTSIVKMOLA-XMMPIXPASA-N 427.500 4.887 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccc(C)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862897605 WLOLHIJJOUYBEW-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOCC)=C(c2c[nH]c3ccccc23)C1=O 1863817367 HNDWGAQAJWHAGU-UHFFFAOYSA-N 425.573 4.625 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccc[nH]1 1864915781 KESRZOYILGKDFG-OAQYLSRUSA-N 441.620 4.881 30 10 IJEE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867131454 GGRKFJSAJNWPCN-NFBKMPQASA-N 447.485 4.892 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@H](c3cccnc3)C2)nc(Cc2ccccc2)n1 1868216111 RJPUITFUBIYOEL-DEOSSOPVSA-N 448.530 4.656 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1 1868715517 JUIFDLYOFXGCRG-HSZRJFAPSA-N 426.507 4.582 30 10 IJEE C=CCn1cc(OCCCCOc2ccc(C)cc2)c(=O)cc1CSc1ncccn1 1870225261 NBBHDIMWDXNKAX-UHFFFAOYSA-N 437.565 4.663 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871995032 OVDNNKCAEJCFNG-NRFANRHFSA-N 444.597 4.523 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872269154 FOKXAWRTWQIIHO-IBGZPJMESA-N 438.952 4.690 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872295537 RYLYXMUKMXUWAV-NZQKXSOJSA-N 449.661 4.504 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccs1 1872373891 YWJNTGXOPABWSX-SFHVURJKSA-N 442.553 4.791 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCCN(CC)CC)C1=O 1873113602 UEYIAJPHFOSBBX-UHFFFAOYSA-N 449.586 4.727 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2/N=C/c2cccc(Cl)c2)CC1 1874285060 NDFMWEAAIBNNLR-ZMOGYAJESA-N 434.009 4.855 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)cc1 1874292168 PQEOGWIVYMCUJA-VULFUBBASA-N 449.511 4.574 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874351684 DUAAMHGORJGFSB-LPYMAVHISA-N 445.932 4.823 30 10 IJEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874382230 FPVSOFVQJNKUDX-AFUMVMLFSA-N 446.532 4.751 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874438676 MZTIZEHEBNPZJI-OEAKJJBVSA-N 439.541 4.958 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2F)c1 1874509003 GTPOALNKEOZMIK-OPEKNORGSA-N 443.523 4.910 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(C)cc2)nnc1C(C)C 1874511863 FAJHMDFQZYXDNK-MFKUBSTISA-N 449.580 4.888 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)c(OC)c1 1874599124 WGLJMDHMQGCMNA-SDNWHVSQSA-N 431.488 4.926 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cnccn1 1874718915 QJKRWWZMWDYCPJ-QHHAFSJGSA-N 429.259 4.907 30 10 IJEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OC 1875178408 IORKXRGDYCXJGV-FMIVXFBMSA-N 428.481 4.713 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1ccccc1NC(=O)OC(C)(C)C 1922075263 VHMPYOXPEHBITL-XZOQPEGZSA-N 426.557 4.818 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cc(Br)ccc1OC 1922106356 CDMMMSIOJALFEO-FCHUYYIVSA-N 434.374 4.632 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 1990177326 QPLJGLHDRVLRNO-FCHUYYIVSA-N 428.598 4.943 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1 2037223344 IFAUAROKOMUGIE-IMWIBFENSA-N 443.544 4.728 30 10 IJEE COc1ccc(C=CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(OC)c1 2042452781 GWFNKNZZMFHXGM-UHFFFAOYSA-N 430.479 4.957 30 10 IJEE CC(C)(C)[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)O)c1N 2080051697 CMZJYHRWRLBQQQ-GFCCVEGCSA-N 427.320 4.976 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(C#N)c(Br)c1F 2107384891 ZATARJIAZRSLOS-SWLSCSKDSA-N 426.330 4.907 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111259034 NILHUWDDZJAIEL-ZWKOTPCHSA-N 443.813 4.848 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2124536531 RIJUVSJUJRFEJV-GOSISDBHSA-N 444.381 4.756 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1ccc(Br)cc1[N+](=O)[O-] 2137385179 MQKNAFJVGODIHX-GOSISDBHSA-N 429.311 4.843 30 10 IJEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1ncc(Br)cc1C#N)CC2 2167907648 YVYBQMVXAPOAEH-UHFFFAOYSA-N 435.366 4.840 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(c3ccc(Br)cc3C#N)C2)C1 2174812854 POYHPEZBYHZZSD-OAHLLOKOSA-N 434.378 4.794 30 10 IJEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1cc(Br)c(C#N)cc1F 2174813551 XSHWXDZWOSWSIV-LRDDRELGSA-N 440.357 4.978 30 10 IJEE C#CC[C@@H](CC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196834032 SDMKCXGEZVGTBU-PKOBYXMFSA-N 434.374 4.894 30 10 IJEE CN[C@H](C#Cc1ccc(Cl)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2216975111 VCYSJVHAYDKFTC-CDNPAEQRSA-N 442.987 4.778 30 10 IJEE C=CCC1(Oc2nnc(Br)c(C)c2C)CCN(C(=O)OC(C)(C)C)CC1 2226503378 MMZBRBXXKHXSTF-UHFFFAOYSA-N 426.355 4.581 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@H](O)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235739458 IFLRRXSFVGOTJT-GCJKJVERSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](N)(C#Cc2ccccc2Br)CC12CCCCC2 2235747046 MYPSTQLCKZYLSQ-OAQYLSRUSA-N 433.390 4.842 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 2235748274 YBTFNHKTYYLDFD-AABGKKOBSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2cc(Br)c(C#N)cc2F)(C(F)F)CC1 2235756797 MCQVSYQODZQJGH-UHFFFAOYSA-N 448.283 4.907 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC1CCC1 2243911294 QMJHOSUIALCVMC-UHFFFAOYSA-N 445.563 4.846 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2267113247 QVDFYRIBGYWWLL-RCTKEMKKSA-N 439.405 4.701 30 10 IJEE CN[C@@H](CC#CC1CCCC1)c1cc(I)ccc1Br 2274130426 MSBKOBHIPNLSHA-INIZCTEOSA-N 432.143 4.898 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2cccc(Br)c2)cs1 2278736846 FFLXRAPRWWSYSD-BLLLJJGKSA-N 437.359 4.576 30 10 IJEE C=CCCC1([C@@H](NC)c2nc(CCC)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2281036589 AEYQATOQOUUCBV-INIZCTEOSA-N 441.414 4.589 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCc2ccc(Br)cc21 2291628388 PSLKTGCHWZDQGQ-JOCHJYFZSA-N 431.326 4.855 30 10 IJEE CCOc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)O)o3)S2)cc1 2294010749 IETOMAAPLVOTCM-UHFFFAOYSA-N 434.473 4.935 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 2296766452 RFWDBCJGSVWHQQ-SFHVURJKSA-N 437.496 4.601 30 10 IJEE C=CCOc1ccc(C=C2C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)cc1OC 2297307405 GAZSKXUYXKWOAB-UHFFFAOYSA-N 434.492 4.631 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(F)F)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2302299117 BBRNLUCVSXSRLC-CWJKEVGVSA-N 436.543 4.512 30 10 IJEE CCOc1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 2318584776 PLBSATIYTZKSJG-TZIWHRDSSA-N 447.362 4.525 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2322748810 WOTKZGZAALVQPV-UHFFFAOYSA-N 445.471 4.605 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Br)ccc1OCC(N)=O 2322953063 RGFZPLYODGTNSR-UHFFFAOYSA-N 430.342 4.815 30 10 IJEE CCOc1cc(C=NNc2nc(O)cc(-c3ccc(OC)cc3)n2)cc(Cl)c1OCC 2323260404 CLNINTMEXIXOGI-UHFFFAOYSA-N 442.903 4.755 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C1=O 2324969467 FDAPAVOVNVQECG-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(C(=O)OC)cc1 2326793724 NQRYFODHHSGABS-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2N=Cc2ccc(OC(C)C)c(Cl)c2)o1 2326834820 HMVJHJNMWYOWMD-UHFFFAOYSA-N 448.932 4.663 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(OCC)cc1 2327476493 HZCXKEWBNPLFKV-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE CCCOc1ccccc1C=CC(=O)[C@@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)CCN1 2328082188 QNSLHIMYKNIPFC-SFTDATJTSA-N 441.959 4.653 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(F)c2)c1 2330820965 KLMVCOKDCYKFLR-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2C2CCCC2)cc1 2331097214 QYJZPFPPQCGTBD-UHFFFAOYSA-N 447.608 4.789 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(OCC)cc1 2331319708 ACEODPYZSLHLEM-UHFFFAOYSA-N 437.569 4.632 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccc(F)c2)c(C)c1 2331545264 PODAHZJEXSNCEW-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H](Nc1cc(Br)cc(F)c1C#N)C2 2358598931 FYWPEPJWPNTHPQ-XNJGSVPQSA-N 438.341 4.907 30 10 IJEE COc1ccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)cc1Br 2364849829 UPWAAXSJKYMQBK-UHFFFAOYSA-N 439.546 4.549 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 21722264 QRCYECVQNIJGJM-NRFANRHFSA-N 425.554 4.721 30 10 IJEE COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321106 UGXMQJVKAXFANB-HJPURHCSSA-N 432.476 4.664 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)C(=O)CC(C)C 36045011 NLABAVRUIKVZFG-UHFFFAOYSA-N 430.552 4.847 30 10 IJEE O=C(Nc1ccc(Cl)cc1F)N1CC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96310044 BXRIRQMNVZGXBB-QFIPXVFZSA-N 442.926 4.729 30 10 IJEE biogenic O=C1/C(=C/c2cccs2)S/C(=N/N=C\c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 101917891 VPRYJTJDMSYDIH-SNKPKTNMSA-N 438.490 4.756 30 10 IJEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 102526078 QWLJMEJVNWTCKM-GOBJLOIFSA-N 427.928 4.706 30 10 IJEE O=C1C=Cc2cc([N+](=O)[O-])ccc2/C1=C/NC1=C/C(=C2/Nc3ccccc3S2)C(=O)C=C1 136547529 NWPMSFXLZBFORC-KXHPSENDSA-N 441.468 4.573 30 10 IJEE CCOC(=O)c1sc(N/N=C\c2cccc(OC)c2OCc2ccccc2)nc1C 169943460 WSZIMACHXSVTOW-QRVIBDJDSA-N 425.510 4.662 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1ccccc1C 170086958 RSDIFTWSGXMTEA-XMMPIXPASA-N 442.515 4.853 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)c1 170118837 MTZFKCZVWCHFAK-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)c1 170162525 FEMWYWUJQSUTTH-SFHVURJKSA-N 429.881 4.782 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170201575 OYNZMQXXYFISBD-LJQANCHMSA-N 441.270 4.877 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1C 170208184 ZBXIHJZZTDFTLI-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)cc1C 170256950 MGTJGTAZYKNKOU-QFIPXVFZSA-N 449.528 4.939 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(F)cc1 170314055 TURGXFVKCXAOPQ-FQEVSTJZSA-N 435.476 4.913 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)N(C)CCO3)=C(O)C(=O)N1c1ccccc1 170314909 OJNLVKIILMTHMV-NRFANRHFSA-N 446.528 4.668 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)c2cccc(I)c2)C1 382008502 SXQFVHHOCRPQGR-HOCLYGCPSA-N 426.298 4.545 30 10 IJEE N#CCc1ccc(CNc2ccc(Br)c(I)c2)cc1 399133694 ZBVNXSFTXNFMHO-UHFFFAOYSA-N 427.083 4.732 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ncnc2c(F)cccc12 433613049 ROLBDBFFZWLHBR-UHFFFAOYSA-N 427.892 4.930 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1c(F)cc(Br)cc1F 438637438 TYJSEVASTUVSDC-UHFFFAOYSA-N 426.217 4.856 30 10 IJEE CC(C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(F)(F)F 471212541 VUKZECQGGBUNAT-WMZOPIPTSA-N 437.849 4.637 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCN1CCN(Cc2ccccc2)CC1 482207947 JFFLTZCYNFPNJZ-UHFFFAOYSA-N 434.628 4.820 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC[C@@H](COC)C1 508697030 HZAQHHMXYCSRPQ-HXUWFJFHSA-N 436.531 4.712 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCOCc2ccc(Cl)cc2)cc1C 514039070 CMDGRLOHIPKAKV-UHFFFAOYSA-N 436.943 4.681 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)ccc2O)ccc1O 526708395 OFPGQGVFSDXBLZ-QHCPKHFHSA-N 445.471 4.588 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc1OC 526802963 POFKTQOOGWLMOW-CFRMEGHHSA-N 444.532 4.570 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccccc2OCC(C)C)cc1 526827354 PUEOZRIMCNOVSB-CFRMEGHHSA-N 438.553 4.582 30 10 IJEE N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(OC(F)(F)F)cc1 530876766 KWCYOTXCVSMCLA-XHSDSOJGSA-N 444.331 4.968 30 10 IJEE COc1cccc(-c2ccc(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)c1 548826952 POHIJRBBEGFBJH-UHFFFAOYSA-N 426.520 4.524 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 565881171 DLTNZWNNGHLJRD-UHFFFAOYSA-N 443.931 4.739 30 10 IJEE C#CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 586157204 YQRHGZXTWGSTNH-UHFFFAOYSA-N 425.937 4.762 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C2CCN(CC2)C12CC2 716095192 KQKGLUIQMPCUKJ-NRFANRHFSA-N 432.362 4.711 30 10 IJEE Cc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(Br)cc3)CC(=O)N2C)cc1C 725435918 KZIHMXYKWDEUHP-QGZVFWFLSA-N 446.370 4.656 30 10 IJEE N#Cc1ccc(CN/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)c(F)c1 729837563 XJDFSACAUAJXPQ-XMHGGMMESA-N 431.854 4.668 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCCN(Cc4ccccc4)CC3)c2)s1 740059174 HOJKHDREVSKABD-UHFFFAOYSA-N 430.577 4.704 30 10 IJEE COc1ccc(CNC(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1C#N 747422385 KSFCERSZUAJAEK-UHFFFAOYSA-N 431.540 4.511 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C(/C)c1ccccc1C(F)(F)F 759237704 LIEGMLPFMSYREL-DMIOIOJGSA-N 446.425 4.822 30 10 IJEE N#C[C@@H]1CN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CCN1Cc1ccccc1 761745979 HXJFTPJOKDNKSV-CNJGYECJSA-N 433.861 4.522 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)CCO2)c1 761826103 YMZDUKGBQJMXIG-SFHVURJKSA-N 439.821 4.758 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1sccc1Cl 783810422 QZRPINKNPQHGCC-CQSZACIVSA-N 427.776 4.683 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1=S 783976344 UJFYLUYIVWPFMD-OAHLLOKOSA-N 444.008 4.670 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 812182435 KXMNDMSAYBGGBY-GVAUOCQISA-N 446.595 4.968 30 10 IJEE C=C(C)COc1cc(CN2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)ccc1OC 849479435 QSYZLQMLYOOOJF-RUZDIDTESA-N 439.600 4.856 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nc(-c4cccc(NC(=O)OC(C)(C)C)c4)no3)cc2C1=O 904632029 MGKQNVLIQBRDGS-UHFFFAOYSA-N 446.463 4.533 30 10 IJEE O=c1cc(C(F)(F)C(F)(F)C(F)(F)F)nc(O)n1-c1cc(Cl)cc(Cl)c1 1088690931 KNFPULDWXMFDFG-UHFFFAOYSA-N 425.087 4.534 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1124217503 HKCZMZSSBOQLNC-CSKARUKUSA-N 437.477 4.944 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)cc1 1126270100 YWDMTTJZWSWRRX-BJKOFHAPSA-N 448.563 4.741 30 10 IJEE CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1127418496 CSSCMVARYBMSEB-UHFFFAOYSA-N 425.279 4.513 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nnn(-c2ccccc2Br)c1C)c1ccc(F)c(F)c1 1128140783 ABBNESYIWLQWOK-GOSISDBHSA-N 447.283 4.664 30 10 IJEE C=CC[C@@H]1N(C(=O)COc2c(Br)cc(C#N)cc2OCC)CCCC1(C)C 1128575624 QEOIOKSPTJJWKZ-SFHVURJKSA-N 435.362 4.692 30 10 IJEE COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 1147517854 HVHMODJQODAMBR-WMZHIEFXSA-N 437.971 4.670 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc[nH]1 1148121391 JVVKCYBXMDBZLR-XMMPIXPASA-N 429.520 4.504 30 10 IJEE C=CCOc1ccc(CNCCCNC(=O)c2cccc(Br)c2)cc1Cl 1177595086 SZPWETABBBVJQN-UHFFFAOYSA-N 437.765 4.577 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)OCCCC)cc1)c1ccc(Br)cc1 1198100807 APEGMQPEXNJTOE-IBGZPJMESA-N 429.314 4.902 30 10 IJEE C=CCN(CCC#N)C(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1202378706 QXMNNYMWZSPZSF-UHFFFAOYSA-N 449.252 4.891 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1cc(Br)cc(I)c1 1219632109 PHZFUUJSCZMYLB-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE C=CCCCNC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I 1248409698 BBOKHAUSWGCONG-GOSISDBHSA-N 438.284 4.785 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 1265224183 VDGIMDXEWRQECJ-UHFFFAOYSA-N 438.531 4.930 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2ccnn2C)CC1 1286334574 LOQOQEMYAZIRFJ-UHFFFAOYSA-N 448.640 4.800 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1C[C@H](F)C1 1286399996 SXXPMKPKRPKKGK-ZJOUEHCJSA-N 442.966 4.899 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCO[C@H]1CCCC[C@@H]1C 1286433633 IGMFBUZSAXYSFF-DHLKQENFSA-N 448.611 4.532 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1CC 1286605330 WADVRIYZIZDFML-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1286637562 HLYXHQIIBUMDQI-SLFFLAALSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286667298 JBAXRBBWDNLKMT-UXHICEINSA-N 440.588 4.570 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286703470 AYWVEGPOLQLFNE-SFHVURJKSA-N 440.979 4.594 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1csc(CC)n1 1286759385 BWRCEEIVUUOHIP-UHFFFAOYSA-N 444.608 4.951 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCCCC2)CC1 1286826836 VBPYUPSJCPBDNE-UHFFFAOYSA-N 439.673 4.881 30 10 IJEE CC1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)C1 1289009931 GHCOECDGOIDDDH-FQEVSTJZSA-N 425.602 4.641 30 10 IJEE CCC(CC)(Cn1c(C(C)C)nnc1N1CCC(CC#N)CC1)NC(=O)OC(C)(C)C 1291910292 DWJVKQJOEUPNLR-UHFFFAOYSA-N 432.613 4.615 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(O)cc(Br)cc1Cl 1297578267 ZMSLPUJDIUDKNI-ZDUSSCGKSA-N 447.757 4.996 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)CCC 1300282851 QLJLFIVISRTMAX-WAIKUNEKSA-N 426.561 4.822 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1300383888 JDLISJUXTDUFSV-FHWLQOOXSA-N 428.602 4.560 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC[C@H]1C 1300516367 LXVAXMTZIXNWAA-HZPDHXFCSA-N 445.792 4.870 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1C 1300517114 XZVIOTOLDSQRQS-UHFFFAOYSA-N 439.382 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1C(C)C 1300868370 DELYNOXILOAONG-SNRMKQJTSA-N 448.409 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCOc1ccccc1 1300901515 OWFKYNKILFTBDC-UHFFFAOYSA-N 444.377 4.528 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(COC)CCCC1 1300907960 WGFOGUMPBHZRLP-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(N2CCCCC2)c1 1300917250 BJJNJZGVOHEAIC-UHFFFAOYSA-N 448.590 4.844 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1OC 1300965219 ATRQSZQFNBOWQD-UYAOXDASSA-N 446.588 4.806 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1301019573 LZPFSJVRKBAZON-GOSISDBHSA-N 438.906 4.586 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nc(C2CC2)cs1 1301370562 HUAUFSUJDHQOSX-UHFFFAOYSA-N 448.596 4.708 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@H]1C(C)C 1301399469 ODUGPOBMPUUYBY-NOZRDPDXSA-N 447.627 4.970 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1301412575 DKKVRCZXHHWHOR-AUSIDOKSSA-N 439.629 4.813 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2CCC(OC)CC2)C1 1301541905 GFDAGNIZVWCYCY-KVZIAJEVSA-N 448.970 4.724 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@](C)(OC)CC1 1301602872 XPDPLGBVPXEHAB-XMMPIXPASA-N 437.613 4.808 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(OCc2ccccc2)CC1 1301611890 HTZAECOPDGCQNJ-JOCHJYFZSA-N 442.629 4.625 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1306722288 GJJDNALVOACXOI-OAQYLSRUSA-N 442.558 4.707 30 10 IJEE CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)c2ccccc21 1309756332 FNWHGSGOJABRGJ-YJBOKZPZSA-N 437.334 4.623 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC)nc1Cl 1310397123 APMOVQLUYBNZRH-UHFFFAOYSA-N 428.689 4.865 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)cc1 1311642113 VFXBZAVNKFSPRM-NRFANRHFSA-N 427.342 4.802 30 10 IJEE C[C@H](NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1312126738 BXAACQSOZJRANP-KRWDZBQOSA-N 436.556 4.889 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1 1358135192 OLGQMTWJCZMTBW-UHFFFAOYSA-N 441.578 4.562 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@](C)(O)C1CCCCC1 1358944361 QPJVFIZYRBJOFW-AREMUKBSSA-N 438.616 4.771 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(F)c1 1358987299 AAKHCTJFVVUFIX-GOSISDBHSA-N 432.568 4.782 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1359055187 VQJKSTVDIINBKL-WZONZLPQSA-N 447.608 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCc1csc(C)n1 1359064349 QPVNFTCRSWOVAK-QMHKHESXSA-N 439.560 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCSCC(C)C 1359066081 MSHAKTMQQFKNJR-XMMPIXPASA-N 434.613 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCO[C@@H]1CCCC[C@H]1C 1359067384 LKJUGXDRCNUPCF-LYHRCORUSA-N 427.980 4.581 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1OC 1359102074 VZUWAOQEGCYJGA-REWPJTCUSA-N 438.597 4.557 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC2(CCC2)C[C@H]1CC 1359118371 FRXITXBICYIDSM-GOSISDBHSA-N 426.561 4.706 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)cc2OCCCOC)CC1 1359163426 DRNWBNVUZVRPBB-UHFFFAOYSA-N 447.583 4.577 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1359173153 XHUDEUNLBKHDLR-HKUYNNGSSA-N 431.625 4.624 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1359192589 JKLQQTDLRAAPAR-JTHBVZDNSA-N 437.632 4.833 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359198878 DIYITHXDNZRCPR-IBGZPJMESA-N 445.007 4.977 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1359234910 FWNMLPLKPFMQJO-SFHVURJKSA-N 427.593 4.633 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)C(=O)NCC 1359235059 MGVOPKSYDBAVDW-UHFFFAOYSA-N 441.576 4.597 30 10 IJEE C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)C#N)c1nccs1 1359466520 CNSBONIRJPOAMV-KBPBESRZSA-N 445.390 4.564 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CC(C)C)c1 1435628592 IXMVTEYLKMVXNE-QGZVFWFLSA-N 434.989 4.886 30 10 IJEE C=CCCO[C@H](C)C(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1435629568 UIKBAWAHZRCDRM-MRVPVSSYSA-N 439.253 4.877 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)C(C)(C)Cc3ccc(C(F)(F)F)cc3)c2C#N)C1 1437999374 IUJDYBFLIBVGDD-UHFFFAOYSA-N 449.498 4.751 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Br)c1COC 1442891150 XRUISQQIMSJIBD-QGZVFWFLSA-N 441.366 4.784 30 10 IJEE C#CCN(C(=O)c1cc2c(OC)cccc2[nH]1)[C@@H]1CCOc2ccc(Br)cc21 1444126656 XEIQAGXHYRBTGB-LJQANCHMSA-N 439.309 4.538 30 10 IJEE C=CCn1c(SCC(=O)N2CC(C)(c3ccccc3)C2)nnc1-c1ccc(Cl)cc1 1453877075 SSCPXANTIUNQPG-UHFFFAOYSA-N 438.984 4.677 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(OC)c1 1457772515 GWCGSDRMBFAIQC-KRWDZBQOSA-N 436.335 4.789 30 10 IJEE C#CC[C@@]1(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1457992922 FSXGPIVOMVLAIE-FQEVSTJZSA-N 427.328 4.504 30 10 IJEE CC(=O)[C@](C#N)(CCSc1n[nH]c(-c2ccccc2Br)n1)c1ccccc1 1458849210 DLPVSPYCLYGZRS-HXUWFJFHSA-N 441.354 4.767 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1459423090 CYJPNIONKJUCDU-BUXKBTBVSA-N 438.742 4.919 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccccc2)C2CC2)n(Cc2ccc(F)cc2)c1C 1459518981 GLOOPCSNDUWGIP-UHFFFAOYSA-N 430.527 4.767 30 10 IJEE C#C[C@H](NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1460783428 CRMIGOGQUZZYFN-IBGZPJMESA-N 443.341 4.578 30 10 IJEE N#CCc1ccccc1C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1465197961 CESLLEXTZWJHHM-UHFFFAOYSA-N 448.320 4.697 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 1465535817 YEOIGSHHEVKFAG-VGOFRKELSA-N 425.504 4.654 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1ccc(F)c(F)c1 1467127444 YZMBNTRLMGZHGO-KRWDZBQOSA-N 445.363 4.721 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)c1 1467326721 PEOLALNRQUIKTD-VWLOTQADSA-N 429.541 4.568 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 1468454351 IIQAOGKEUVLIDX-XLIONFOSSA-N 435.406 4.931 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 1469974412 HJLPCMZCSPATFT-LJQANCHMSA-N 443.551 4.580 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br 1470787148 SWMDWOHULCVQLY-NHIYQJMISA-N 434.216 4.659 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472907262 ADUZUDPBILUSRK-AUUYWEPGSA-N 440.590 4.775 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 1472928797 QCHWSZYSDOSIGG-LJQANCHMSA-N 442.606 4.754 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H](Cc1ccc(Cl)cc1)C(=O)OC 1472998800 QALSYNOUULZVJV-LJQANCHMSA-N 443.956 4.573 30 10 IJEE C#CCN(C)CC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 1473442611 JZSYMTWJJOKVIY-YUEZXFGGSA-N 433.502 4.653 30 10 IJEE Cc1ncsc1CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1476099041 FTDDOTOSVHLLSX-UHFFFAOYSA-N 426.929 4.920 30 10 IJEE C#CCOc1ccc(NC(=O)N2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)cc1 1476151056 UCFZOPBQZLSMBY-PKTZIBPZSA-N 449.551 4.742 30 10 IJEE Cc1cc(NC(=O)NCCc2ccc(Br)cc2Cl)c(C#N)cc1N(C)C 1476702519 CLTRWNRDYCKDQE-UHFFFAOYSA-N 435.753 4.713 30 10 IJEE C#Cc1ccc(NC(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1 1477146628 GHZRCCJUEQYMSD-HSZRJFAPSA-N 431.964 4.966 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)OC 1494987212 CBPNXKTXIAZGFR-KFKAGJAMSA-N 435.494 4.657 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1507563565 YFGYYSDWHVCKBD-ISKFKSNPSA-N 449.643 4.846 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CN(C)C(C)C)CC1 1507569108 ZYLCKFAMPGHKNB-UHFFFAOYSA-N 446.643 4.710 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 1507572147 ZTEAZPIBIWHGKA-XMSQKQJNSA-N 442.554 4.841 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1CCOCC1 1507575512 SAWDMTKKRQJPDY-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CCC1 1507756573 KFBJAXQYYIPRNY-UHFFFAOYSA-N 439.412 4.767 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1507832562 DFKHMKJLZUJYRT-UGKGYDQZSA-N 445.007 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC[C@H](C)C2)CC1 1507897522 JYFXHQOKMTVKNF-HKUYNNGSSA-N 440.588 4.810 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@@H](OCC)C(C)C)CC1 1507900835 WIQRGAXIHNSBFX-OAQYLSRUSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1507902565 FJYXDELVYMOHDG-IEBWSBKVSA-N 430.980 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1507910774 DRPWUYXHUCIZPN-ROUUACIJSA-N 440.588 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1507918494 CMVZZAUGWZDZDV-NQIIRXRSSA-N 428.552 4.604 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1507926880 XNSNIQROPHUNEC-UHFFFAOYSA-N 425.621 4.868 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507932608 VJGFDRLEAHNGRA-IBGZPJMESA-N 425.577 4.747 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1507966972 DZNABICYUOXMKJ-NRFANRHFSA-N 430.980 4.760 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1csc(C)c1 1508001372 OZEJIFBUXWJPDN-XMMPIXPASA-N 438.597 4.541 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@]2(CCSC2)C1 1508167161 IQMBITYFEUKYEC-QHCPKHFHSA-N 444.670 4.672 30 10 IJEE Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc1F 1511603867 BCIZATHJCXDEOU-VWLOTQADSA-N 449.578 4.678 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1517113549 MWDIANRARHWQIR-OAQYLSRUSA-N 442.478 4.889 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)C/C=C\c3ccc(Br)cc3)CC2)nc1 1519793143 CNCGERIJENRNPX-UPHRSURJSA-N 440.341 4.625 30 10 IJEE COc1ccc([C@H](NC(=O)c2ccc(C#N)c(C)n2)c2ccc(C(F)(F)F)cc2)cc1 1520006437 GZUGDIWSMNBOEF-OAQYLSRUSA-N 425.410 4.809 30 10 IJEE C=CCOc1ccc(CC(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cc1 1524189587 SKKZFXZJCNPUCO-ROUUACIJSA-N 432.486 4.939 30 10 IJEE C=CCN(C(=O)c1ccc(C2OCCO2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524295384 INGAYOAJLBHOJY-UHFFFAOYSA-N 437.477 4.597 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 1526691347 DEMUFQFRZYRPJY-XMSQKQJNSA-N 429.907 4.987 30 10 IJEE C#C[C@H](NC(=O)[C@H](OC)c1ccccc1C(F)(F)F)c1ccc(Br)cc1 1528087906 IZPUUMOVTQIWBS-DLBZAZTESA-N 426.232 4.646 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC 1533108653 IIJDOFJEQJFAHR-DLBZAZTESA-N 442.478 4.788 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 1537409843 MJIRHQUWIFEIGH-UHFFFAOYSA-N 447.516 4.827 30 10 IJEE COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Sc2ccccc2C#N)cc1 1538209755 GYUCUKSKTKDXCW-UHFFFAOYSA-N 446.528 4.727 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CCC)CC1 1538974124 RATNTZHFSURAEJ-RTBURBONSA-N 444.023 4.651 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1539594153 FVLFHGCVJSDTOL-OAHLLOKOSA-N 437.769 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](CCC)C1 1539615471 JAMSAPFGERDSIK-QPXUXIHVSA-N 438.616 4.807 30 10 IJEE C=CCC1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCC1 1539642456 IGSDBIONSLZMTD-UHFFFAOYSA-N 434.945 4.834 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1539829276 VFUJQUSZPSOKLO-UHFFFAOYSA-N 434.561 4.933 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(CC)CC)cc2)CC1 1539855365 VGHYXHJLPRSFQZ-UHFFFAOYSA-N 436.629 4.685 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@](C)(CC)C1 1539900939 YGKVSZFGUCDRBT-VWLOTQADSA-N 439.604 4.755 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)c1ccccc1 1539948808 SDIMUPIFSCILAX-HSZRJFAPSA-N 449.643 4.774 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(OC)CCCCC1 1540057877 LLRBLVSAFQLIOL-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(F)(F)Br 1540058594 GNOOQGVBMSIENU-UHFFFAOYSA-N 443.336 4.980 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1cc(Cl)ccc1OC 1540147964 XYKACIMYERIERY-MRXNPFEDSA-N 444.988 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(O)c1 1540158923 SSVQDOULJRIXEU-UHFFFAOYSA-N 431.359 4.701 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCC2CC2)C1 1540912387 WWMDCUWPMJRODS-SFHVURJKSA-N 433.021 4.913 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C)n(-c3cnn(C)c3)c2C)cc1 1545025213 ACUSLWDWMYTURX-UHFFFAOYSA-N 441.491 4.753 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 1557475404 QUFXAWWZLGNKNT-KNQAVFIVSA-N 426.582 4.969 30 10 IJEE C=CCn1c(SCCc2ccc3c(c2)OC(F)(F)O3)nnc1-c1ccc(OC)cc1 1559321572 YBCFOURFASIGFF-UHFFFAOYSA-N 431.464 4.796 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1559983439 QTVUEPOHSHXAEJ-MRXNPFEDSA-N 438.424 4.780 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 1561220795 JDWZYWQBQCDYEP-UHFFFAOYSA-N 439.920 4.503 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(COC)CCC1 1568862125 YHWIPXOMFCNGES-DEOSSOPVSA-N 448.563 4.545 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(OC)c(I)n1)c1ccccc1 1583543145 JETOBPVZLOPIDM-HNNXBMFYSA-N 436.293 4.522 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(-c2cccc(F)c2)nc1C 1584641784 LFDAZIJCIAWEBF-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cccs1 1589077826 CCHTUFWLKOOGEF-LJQANCHMSA-N 426.586 4.777 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1593722459 QKLLTUUVGGSQNM-UHFFFAOYSA-N 436.581 4.699 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1593763662 OAYJEOWRIAQBFV-VXKWHMMOSA-N 438.616 4.974 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCC(C)(C)COC)CC1 1594035930 OHDSMTPCHKKKBS-UHFFFAOYSA-N 434.588 4.944 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cccnc2OCC(F)F)CC1 1594036347 SNMIFQUFBJBEJI-UHFFFAOYSA-N 445.901 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1OC 1595161796 MDJHGYADCAVTGT-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1 1595608878 ZVAPGJQMRLNFRS-SFHVURJKSA-N 445.489 4.675 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2ccc(Cl)s2)C1 1595700892 SVAIUCAMKNFEHP-GOSISDBHSA-N 444.988 4.693 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 1596169820 PRDVGBAGULGPJJ-HUUCEWRRSA-N 438.849 4.971 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 1623480273 QIQFBWOJFIFHTD-KRWDZBQOSA-N 438.355 4.673 30 10 IJEE N#Cc1cnn(-c2ccccc2NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1N 1623696979 IAYGTCZAUVNHGD-UHFFFAOYSA-N 437.381 4.857 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1ccccc1 1625196720 HJEATSHVBRZMDB-GHTZIAJQSA-N 438.572 4.850 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)COc1ccccc1OC 1625539660 ZXXVQQLCRBGPGU-HNNXBMFYSA-N 449.345 4.859 30 10 IJEE CC(C)(CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc2c(c1)OCCO2 1625861246 HZYQEZUOWRFTMK-UHFFFAOYSA-N 427.504 4.781 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccccc1 1627435839 QWBNIXPXPYLQTK-JGCGQSQUSA-N 446.507 4.927 30 10 IJEE CC(C)c1ccc(CN2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)cc1 1628866034 HGXWIMOFNIIRKG-UHFFFAOYSA-N 443.547 4.812 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccccc1 1633277966 YYQXQSLQDBRVJC-SANMLTNESA-N 432.612 4.725 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 1634691529 JUXUYRDUYHADES-OAHLLOKOSA-N 449.960 4.987 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)s1 1637289757 FOSGIBDKZGLNSH-HNNXBMFYSA-N 431.410 4.684 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(C)c(Br)s1 1638815797 XKKBONLGIUPCJS-UHFFFAOYSA-N 432.137 4.794 30 10 IJEE C#CCN(C(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C 1638980752 GXIFAENZIRWATM-OAQYLSRUSA-N 444.575 4.908 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(C)(C)C#N 1641363275 BVTKDRUOWIWDHX-DEOSSOPVSA-N 447.579 4.948 30 10 IJEE C=CC[C@H](C(=O)N1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1)c1ccccc1 1642778918 CYECQVHRVMOYFD-VABKMULXSA-N 442.600 4.657 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)Nc2ccc(Br)c(C#N)c2)CC1 1645448373 CZDQYIQKYOYNKN-DLBZAZTESA-N 448.361 4.542 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1651254237 FNPGVRDYUJJYLJ-INIZCTEOSA-N 439.364 4.893 30 10 IJEE C=CCn1c(SC[C@H](COC)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1656028471 QCUMOVLFFOHBRV-INIZCTEOSA-N 434.558 4.512 30 10 IJEE C=CCOc1cccc(CNc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)c1 1658567159 NENQAIJZMDSICG-SHNDDRJUSA-N 440.609 4.967 30 10 IJEE C/C(=C/c1ccccc1OC(F)F)CNc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1658569783 JSBGDUMXEOMUED-PUGXFLJDSA-N 449.523 4.616 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(Cc3cc(F)ccc3F)CC2)cc1 1658977176 ALFXLDHXROHYHB-LJQANCHMSA-N 425.523 4.863 30 10 IJEE C#CCN(Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H]1CCOc2ccc(Br)cc21 1659177345 GNOUIJBDHMBAGJ-KBXCAEBGSA-N 431.399 4.989 30 10 IJEE C#C[C@H](NCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1F 1659187727 PZRQDSIRALHQLK-QHCPKHFHSA-N 429.923 4.606 30 10 IJEE C=CCN(C1CC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 1663045869 QBKVEECXARGRND-UHFFFAOYSA-N 426.307 4.720 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 1664330475 RXPICFWDDTXDPJ-UHFFFAOYSA-N 425.381 4.623 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 1665468286 AUJKDLFTESGEIS-QGFMHUBQSA-N 441.572 4.822 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1OC(F)F 1671771428 WJCKYSCHRRQSPW-QGZVFWFLSA-N 425.884 4.643 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 1672350381 SBXGSBNFLSASRH-QGZVFWFLSA-N 445.482 4.552 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 1674221466 KCJHWJUEWKLHAB-NLWGTHIKSA-N 429.561 4.799 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1)c1ccc(Cl)cc1F 1677933761 BBDJRYZVDQQAFA-LLVKDONJSA-N 449.813 4.627 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C[C@H](O)c1cccs1 1678356006 ILBPKLDFMNMBEU-WFASDCNBSA-N 425.348 4.709 30 10 IJEE C#CCN(C(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCCC1 1679423566 YPUYGASGRZIHBG-RBBKRZOGSA-N 433.955 4.507 30 10 IJEE CCCC[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 1679884995 IAUMYRPRFUWHAL-QFIPXVFZSA-N 437.519 4.617 30 10 IJEE C#Cc1ccc(NC(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OCC)c(Cl)c1 1680873380 VMVRXVSUSLIQGQ-UHFFFAOYSA-N 427.932 4.979 30 10 IJEE O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 1681948292 HCMAEPZCKPACCP-OAHLLOKOSA-N 449.370 4.941 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br 1684300115 MMCQMLLDVVFNTE-GHTZIAJQSA-N 429.358 4.608 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(C)C)C1 1689878489 KHXJYIYOCLHORS-LJQANCHMSA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1689900499 GSOWLPDOHCZXQN-OAQYLSRUSA-N 428.527 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCO[C@H](C)C1 1690007795 JJMSOLZGEAAVMI-MOPGFXCFSA-N 448.567 4.701 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)CC[C@@H]1C 1690161792 QFVXLDCPSMUFAQ-KBPBESRZSA-N 439.448 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N(C)C1CC1 1690213066 ZWRGQSMZDRGCJL-NFQMXDRXSA-N 449.643 4.629 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1690363969 GHMCEEJALOTYIC-RXVVDRJESA-N 439.535 4.610 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCOCC)CC1 1690408328 FHJPEEYXUUMYPF-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@@H]1C 1690428622 WXHMIKFJXFGEGX-MOPGFXCFSA-N 448.615 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC#N 1690430546 NFGXTAOTMPZEME-SFHVURJKSA-N 444.624 4.733 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC(C)(C)C1 1690453824 KLWBZBNAIPLMOU-UHFFFAOYSA-N 436.398 4.786 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1690483762 WEOZWKPUQMOBDO-NHCUHLMSSA-N 426.561 4.845 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CCCN1CCCCCC1=O)C1CC1 1690541014 JYYUMILEMUQFLO-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](OC)c2ccc(Cl)cc2)C1 1690689345 BZLYPTDALIWUMK-TZIWHRDSSA-N 442.947 4.669 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690737381 KLXAFXKMBKZDRB-IBGZPJMESA-N 446.064 4.830 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H](C)CC#N 1697645323 DYNOTYSZGBZPAP-CNNODRBYSA-N 449.555 4.671 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1705527581 CPWOMGWDUYFSOX-LEWJYISDSA-N 442.991 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1705699309 FGWFEWUHNQJKLD-TZEULACYSA-N 428.552 4.837 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(C)s1 1705701112 CMHMZADBSNHQTM-WMZHIEFXSA-N 440.588 4.996 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1705714478 SJLOHXLZMKMWKK-UHFFFAOYSA-N 445.502 4.512 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1705747020 CKOJAFAPJRXNPT-UZLBHIALSA-N 434.943 4.705 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](OC)C(C)(C)C)CC1 1705772248 PPLZJVRYGOOEMS-FQEVSTJZSA-N 430.618 4.797 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1705772291 LWZDPIKRXGNTQB-NRFANRHFSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC1 1705791687 BVLXVOKRQYBTMX-UHFFFAOYSA-N 431.625 4.841 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)C)CC1 1705800189 QSDXFOOFZNVSCH-JOCHJYFZSA-N 425.621 4.922 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705800560 AYODOXPLOIIOIX-QGZVFWFLSA-N 429.565 4.648 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1705809965 JVIIZMOLPZLPLR-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1705813815 UYZOVRFKPLHPRP-NRFANRHFSA-N 437.975 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@@H](C)C1 1705860475 IPPHJGCHCXERAP-SIKLNZKXSA-N 447.608 4.810 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1705873712 STHIWIJBTIWPBT-UHFFFAOYSA-N 445.567 4.576 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCC2(C1)OCCO2 1705877089 UYXMEHCVBOCFGE-FQEVSTJZSA-N 440.613 4.600 30 10 IJEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1711143972 GXWKCYCLZQTTCF-HXUWFJFHSA-N 429.515 4.648 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1712792680 BSLDNHDMVGSXLD-BZSNNMDCSA-N 427.618 4.598 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1sccc1Br 1722290560 AJTVVMJWQCLJNY-ZDUSSCGKSA-N 440.370 4.757 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1722327117 ZORKGTHCXQVHHN-HXUWFJFHSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCc2sccc2C1 1722339726 CDLAGMFHEMKDII-UHFFFAOYSA-N 426.973 4.938 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C1CCCCC1)N(C)C 1722391808 VBISQNTYGVTTCN-IZZNHLLZSA-N 445.655 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCc1ncc(CC)s1 1722401635 FUHASEFIOPRZOQ-UHFFFAOYSA-N 449.649 4.603 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1CCCCO1 1722421942 SYPBJYPYAZFQNS-QHCPKHFHSA-N 438.616 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)CC=C 1722468454 OVMAHALCHWBURN-RUZDIDTESA-N 438.572 4.565 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@](C)(CC)C1 1722491111 HTKXULFOWASIBK-ONJIFJTESA-N 438.616 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722503699 XNALWCOWZJINSU-VTJKKSGASA-N 430.637 4.660 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2nc(C)no2)CC1 1722546850 BZBUPLAAXILTGV-UHFFFAOYSA-N 437.306 4.566 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1722562272 SHKJPLDNWDKRDY-DEOSSOPVSA-N 437.632 4.547 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2csc(C)n2)CC1 1722575015 VXXIWJFZXHQQPN-INIZCTEOSA-N 441.576 4.967 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(C)(C)O)c2)CC1 1722575593 OUGVPOPLPYFMTD-UHFFFAOYSA-N 437.975 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cscn1 1722585343 XHPNMDGGIPYMBH-UHFFFAOYSA-N 427.574 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CCC)C1 1722586509 HOULJIXKLSDWGZ-QFIPXVFZSA-N 434.588 4.738 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1722612891 MSYZGZASFYRRMT-OAQYLSRUSA-N 436.991 4.670 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@H](c1ccco1)N1CCCCC1 1722657262 WGAPXVCWPKCXQX-HSZRJFAPSA-N 444.583 4.725 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCc1csc(C(C)C)n1 1722657873 QWXRWDQWYWWEIO-UHFFFAOYSA-N 447.612 4.694 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCCN1CCC(C)CC1 1722658401 WPVIWUXTOOMQDK-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE CC(C)c1csc(Cn2c(Cn3ccc4ccccc43)nnc2N(C)C[C@@H](C)C#N)n1 1722868667 CVFKGZNCWMIBBC-KRWDZBQOSA-N 433.585 4.505 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)Cc2cccs2)C1 1729107232 CTYBCMSIHXVYHT-ICSRJNTNSA-N 435.597 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCCCn1ccnc1C 1740725359 KWHGIDHNMHCKFJ-JYFHCDHNSA-N 430.600 4.797 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@@H](F)C1 1740726482 BAKWVXZFINMZLK-RRMPHLOHSA-N 431.353 4.838 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCc1csc(CC)n1 1740727852 CFXPXCJCJBNOCL-JOCHJYFZSA-N 425.989 4.852 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740785725 XRVLFFRTLQDGOB-GOSISDBHSA-N 432.515 4.704 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1C1CCC1 1740787087 ZVQOZHDAVZYMFP-QFIPXVFZSA-N 437.588 4.509 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C(C)C)N2CCCC2)CC1 1740825538 WZGZLILMEMLLEE-IRLDBZIGSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCSC2(C)C)CC1 1740834967 FNGFMXVAWQUFFO-GOSISDBHSA-N 427.574 4.787 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)s1 1740923405 LMQDMPILLUMKTB-HNNXBMFYSA-N 435.018 4.994 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)c2ccccc2F)C1 1740976186 HDTCQILYNUMVGC-LJQANCHMSA-N 435.547 4.547 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1748699227 MTUHPVRKQMWMHS-KNKQGSTJSA-N 442.991 4.880 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1Cc2cccc(Br)c2C1 1748702370 FFSSIFSFCSWMMU-UHFFFAOYSA-N 425.330 4.933 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc(C(C)(C)C)cs1 1748934664 DAXMTWNLTXSEMK-UHFFFAOYSA-N 437.613 4.736 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1749023369 SNIWMHBAFYWMDJ-VQIMIIECSA-N 445.430 4.843 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1749044888 WAVSIEXUPJCRJW-IBGZPJMESA-N 445.032 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CSCCS1 1749055517 KERCPKJITFEIHK-SXWKCWPCSA-N 426.655 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 1749140800 SOVZCHTZBARUPE-AHJNKEMKSA-N 430.637 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)c1ccsc1 1749564623 CSGUTPAAMJPSQB-DEOSSOPVSA-N 431.565 4.641 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccncc1Cl 1749591723 XWIKTIADFPJKRE-UHFFFAOYSA-N 434.931 4.573 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cccs1 1760131339 ZPAVFVAHIDQOLU-UHFFFAOYSA-N 446.418 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760322966 ZXIHIYLWTKQAKO-OYRHQHFDSA-N 443.680 4.550 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](OC)C1 1760368137 XREMKVOLAOAFRJ-HXUWFJFHSA-N 425.964 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1nncn1C 1760409088 ZOJNKCCXSXQACH-GOSISDBHSA-N 443.958 4.810 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1760413166 ZMLRPBNDEDFHMY-UTKZUKDTSA-N 446.542 4.631 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C(=O)OC)CC1 1760422394 LNGSTDAQLUWYPJ-FQEVSTJZSA-N 440.588 4.781 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1760425451 MMGYHYCHOPLNKV-HSZRJFAPSA-N 429.653 4.968 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CCN(CCC)CC1 1760456027 FNUUJFQSWRKLLA-OAQYLSRUSA-N 425.621 4.779 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1noc2c1CCCC2 1760467260 WZNMJKHOHLPICU-UHFFFAOYSA-N 448.354 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)c1nccs1 1760490833 KZZUBVCGRSIZHG-KRWDZBQOSA-N 431.569 4.774 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2nc(C(C)(C)C)cs2)C1 1760545902 DTXMQHYKTBEUTC-QGZVFWFLSA-N 443.642 4.514 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760568635 OGAOSNPKKDUVIH-SFTDATJTSA-N 444.670 4.946 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCC1(C)C 1769819074 HFXQCKCSOBOQED-NRFANRHFSA-N 432.572 4.624 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccc(F)c(Cl)c3)n3ccccc23)cc1 1858244757 OEIHNCINWRSXRF-UHFFFAOYSA-N 433.830 4.503 30 10 IJEE C=CCNC(=O)CCCOc1c(Br)cc(C(C)(C)C)cc1Br 1859455346 AJEBIPIBXDWNMB-UHFFFAOYSA-N 433.184 4.970 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1 1862400458 FHDWPGHKIKIHAN-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862436374 RHDCCJXHFARERL-NRFANRHFSA-N 441.911 4.965 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2Cl)ccc1F 1862502785 IXZKIUFAWXZOPF-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)c(O)c2)cc1 1862536198 STMKGVPMURCMQV-YWBKXGLFSA-N 435.520 4.817 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1Br 1862540916 ZCSLDNHJZCAOOI-IBGZPJMESA-N 426.310 4.776 30 10 IJEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(O)cc2)cc1 1862555938 LJFRBFOHVMUWQY-UPCLLVRISA-N 442.515 4.876 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(Cl)c2)cc1OC 1862569712 SRPFEDGGFHBQSY-FQEVSTJZSA-N 429.900 4.592 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862645418 HYNRZSYUNCARHF-GOSISDBHSA-N 436.266 4.905 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(O)c(OC)c1 1862705141 QRUSUMGBLWVTCP-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3)C2=O)cc1 1862981922 NJUPBPNMCQRXNY-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1863692281 XNPWYIYHJZKFOJ-JOCHJYFZSA-N 442.600 4.683 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(F)cc1 1864785286 RVZPOQUVEIBANR-NRFANRHFSA-N 442.579 4.912 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cccc(C)c1 1864851374 HGGSOACXNJQQAZ-JOCHJYFZSA-N 438.616 4.988 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 1866229367 LSTZQELBKIPCAT-UHFFFAOYSA-N 435.459 4.697 30 10 IJEE CCCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 1867047852 QHYDDXYRCGGVDI-JOCHJYFZSA-N 446.576 4.928 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@H](C)Cc3cc(OC)ccc32)n1 1868267361 MYMCVTUKFZEKAA-QGZVFWFLSA-N 429.524 4.620 30 10 IJEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1c(F)cccc1Cl 1870160691 FQMWLOUPQIFLHS-UHFFFAOYSA-N 431.858 4.775 30 10 IJEE CCCCCCOc1cn(C[C@@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870186981 XXILLYIKYFTGJO-MRXNPFEDSA-N 443.613 4.672 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)o1 1871439435 YYNXWXADEPKWBM-NHDPSOOVSA-N 435.388 4.560 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)s1 1871444153 RQQMGCZBUJZJCY-CCRNYGKSSA-N 449.532 4.740 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872029622 JHLYOCCARVPQJD-JOCHJYFZSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCCC 1872142999 OVLGGOIYCSUWBV-LJQANCHMSA-N 429.586 4.765 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 1872413736 QVFAKJLGOSSUOV-JOCHJYFZSA-N 446.638 4.631 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C 1872782417 JKAOBKFMHMMUNE-NHCUHLMSSA-N 429.545 4.652 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873647334 WIQRCDNCEDKQJJ-ROUUACIJSA-N 447.583 4.781 30 10 IJEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874352714 YHGUFULNPFVFBN-CVKSISIWSA-N 429.549 4.873 30 10 IJEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1O 1874417077 WZCHBKRYWJDMMZ-CVKSISIWSA-N 448.523 4.897 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2F)nnc1C1CCCC1 1874451690 LNWZMWVZSOMZPI-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccs1)c1ccccc1 1874457490 QZMZHOBBCVDHIH-YQCVNYCESA-N 439.610 4.849 30 10 IJEE OCCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874498783 QOFZJZNLKBGNLP-ZVHZXABRSA-N 442.972 4.745 30 10 IJEE CCCc1nnc(SCCCO)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874510792 VVGWXNVGYSTQBF-XIEYBQDHSA-N 437.613 4.614 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccn1 1874540928 YNVJRZXUZVKJPS-YDZHTSKRSA-N 436.368 4.986 30 10 IJEE COc1ccccc1CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706095 OXYZUNUCXDGISH-FMIVXFBMSA-N 444.483 4.901 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)CCOc1ccccc1 1875120101 BKLGPDNJXHBVNA-WYMLVPIESA-N 432.472 4.974 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1cnccn1 1875182028 IXKMFPRHNSFBDA-GQCTYLIASA-N 438.867 4.571 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCSc3c(C)[nH]c4ccccc34)n[nH]2)c1C 1891132554 SYQFCACFTQATBN-UHFFFAOYSA-N 448.596 4.778 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCCC[C@@H]1CNC(=O)OC(C)(C)C 1922057576 NPLXQFKHYCVCMY-MVERNJQCSA-N 446.632 4.574 30 10 IJEE C=CCC1(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924553180 AJSPCLVRWXBDCN-UHFFFAOYSA-N 439.641 4.957 30 10 IJEE C=C(COCCC)[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947484528 KWYVQRGAZLFBHR-XZOQPEGZSA-N 434.621 4.838 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 1965565556 HUSZNJMZEJJMCW-CXAGYDPISA-N 438.341 4.686 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CO1 2052555001 COCRBIHYCPOFBJ-LJQANCHMSA-N 442.796 4.608 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Cl)ccc(Br)c1F 2058348585 CFNGZSQVPKPWDF-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2ccc(C#N)cc2F)CCN(Cc2ccccc2)CC1 2067209687 BLMYBKONRJQLJH-UHFFFAOYSA-N 438.547 4.669 30 10 IJEE COc1c2c(nc3c(-c4ccc(F)cc4C(F)(F)F)c(C(F)(F)F)nn13)CCOC2 2081390820 ZSPKESMYJWRUIP-UHFFFAOYSA-N 435.299 4.654 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc(Br)c(C#N)cc1F 2105998471 PKXTUGVPQVEBBT-MLGOLLRUSA-N 426.330 4.955 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151264769 BVURRIFOSKSLDO-XMGLRAKGSA-N 446.444 4.613 30 10 IJEE CN(CCC1CCN(c2cc(Br)cc(F)c2C#N)CC1)C(=O)OC(C)(C)C 2174814464 IIAVZEPXMGOKKR-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3ccc(C#N)c(Br)c3F)C(C)(C)[C@@H]21 2175897777 DEBSNYKYLPSNQX-OAUYIBNBSA-N 438.341 4.906 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2C#N)CC1 2181107399 HUSMIBWDKIBWDB-CZUORRHYSA-N 436.350 4.733 30 10 IJEE Brc1sc(C#C[C@H]2CCCCN2)c(Br)c1Br 2212188722 DHJNHFPURZVIAA-SSDOTTSWSA-N 427.987 4.529 30 10 IJEE Cc1sc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c(Br)c1C 2229368128 FUCTWGJJZQCWLI-ZDUSSCGKSA-N 428.201 4.826 30 10 IJEE N[C@H](C#Cc1cccc(Cl)c1)c1cc(I)ccc1Br 2231087712 KQEIYAGRJLYFCZ-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@@H](O)C#Cc2ccccc2Br)CC1 2235739215 GPUCXLNIQCSGDF-SFHVURJKSA-N 440.353 4.538 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cnc2C#N)C[C@@H]2CCCC[C@@H]21 2240956416 AXLIEFYVYMDSQL-YEWWUXTCSA-N 435.366 4.696 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1ccccc1NC(=O)OC(C)(C)C 2252123571 PRMAYAIYIJXJBA-QFIPXVFZSA-N 427.497 4.949 30 10 IJEE C=CCCC1([C@H](O)Cc2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266299858 DLNAXFVDGNOJSK-QGZVFWFLSA-N 428.342 4.695 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c2ccccc21 2267573852 OBGYOIACLKCSHT-UHFFFAOYSA-N 442.365 4.647 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@@H](C#N)CC12CC2 2288841978 IGSKSZNFCSPQHD-CYBMUJFWSA-N 434.334 4.704 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 2296082689 QEAYSRDIFDOMEN-JOCHJYFZSA-N 444.443 4.620 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)C#Cc3cccc(Br)c3)C[C@@H](C2)C1 2296222761 VRVWQXQEXFNHFP-BCDXTJNWSA-N 432.358 4.653 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 2296291530 POJMJGPPBCJVGX-IPMKNSEASA-N 439.369 4.516 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(N)C#Cc1ccc(Br)cc1 2296295584 FIZSGZHPTGMZEX-JTSKRJEESA-N 433.390 4.603 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@@H](N)C#Cc3ccc(Br)cc3)cc2C1 2296298862 OKSXVPZVYZCLLU-KRWDZBQOSA-N 447.398 4.855 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2296310048 DOZJEJYEVDZCMH-VQTJNVASSA-N 437.422 4.966 30 10 IJEE Cc1cc(OCCCC(=O)C=C2NCCc3cc4c(cc32)OCCCO4)ccc1Cl 2296340274 DJOZPAPBKOGIOG-UHFFFAOYSA-N 427.928 4.725 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OCC)c2)SC1=S 2297364394 QHZRZLHETNTARK-UHFFFAOYSA-N 443.521 4.831 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1 2314429305 DBGWDADQICFOOT-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(CC)nnc2SCCC)cc1OC 2321028462 BVUYLIDQZFWSEZ-UHFFFAOYSA-N 441.395 4.785 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(C(C)(C)C)cc1 2321079909 GFUZEGKKHCPLDJ-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1Cl 2321094606 UPEVANPTOBLLOU-UHFFFAOYSA-N 438.315 4.645 30 10 IJEE COc1ccc(Br)cc1C=Nn1c(C)nnc1SCc1ccccc1C 2321761207 ZJGOGKYXIDCWCO-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CC(C)C)ccc1OCc1ccc(F)cc1 2321907005 UBQQZTBTGLSROO-UHFFFAOYSA-N 428.533 4.764 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCc2nc(O)c3ccccc3n2)cc1 2322457305 SXZODABLKKUGLW-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)cc1F 2322703703 PIEQJEKPWSOVIK-UHFFFAOYSA-N 430.435 4.958 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3C2=O)cc1 2322799108 NJAFJFOGLXBXFT-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc(C)c2C1=O 2323395957 CAEWSOKXVCSOQA-UHFFFAOYSA-N 429.428 4.976 30 10 IJEE Cc1cc(O)c(CN(CCO)Cc2ccccc2)c2c1C(=O)C(=Cc1ccccc1Cl)O2 2324010053 VODVIEKCAXKNJV-UHFFFAOYSA-N 449.934 4.965 30 10 IJEE Cc1cc(O)c(CN2CCC[C@H](CO)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324209902 JRQVCMXHJFFSHN-HNNXBMFYSA-N 448.346 4.828 30 10 IJEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2324522286 PLDIPJOAEHPPPN-UHFFFAOYSA-N 439.291 4.767 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(O)c(Cl)c1 2326793903 IJMKZYDWXWFZBL-UHFFFAOYSA-N 444.944 4.551 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(N(C)C)cc1 2326848995 RBPUIAFJMKQZNJ-UHFFFAOYSA-N 439.585 4.706 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)c1 2328607800 ZFXGWAMPEKXBGE-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE COCCc1nnc(SCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2331281368 NTOFAVHWRKMLTI-UHFFFAOYSA-N 432.549 4.803 30 10 IJEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(OC)cc1 2331608762 RBMNPBPLGUSFFW-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)cc1 2331729061 NYYJHJXQKWIOCU-UHFFFAOYSA-N 439.972 4.984 30 10 IJEE CC#CCN(C[C@H](NCCC)c1cc(F)ccc1Br)C(=O)OC(C)(C)C 2337906804 JQWHEJFNWFONSY-SFHVURJKSA-N 427.358 4.889 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339588406 IENJPMNHIPNZBK-JKIKYLSZSA-N 443.397 4.832 30 10 IJEE C[C@H](c1cc(Br)cs1)N(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2371991048 GJHOUPJHDOLHOI-LLVKDONJSA-N 441.175 4.541 30 10 IJEE C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 20892444 KCGYKIWGJIMDQQ-HSZRJFAPSA-N 435.549 4.837 30 10 IJEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 21258676 LMCVFLYQZZOVCV-WIYYLYMNSA-N 434.492 4.634 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nc2sc(C)c(C)c2c1=O 21845300 FCPPIRQHGFEOHX-HNNXBMFYSA-N 445.635 4.778 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OC)c2)c1 34954725 GGJHZSMQQLNFIS-DHZHZOJOSA-N 436.435 4.967 30 10 IJEE Cc1c(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(O)n(C2CCCC2)c(=O)c1C#N 38617969 SPBKBFSRIZXSOF-LBPRGKRZSA-N 435.307 4.806 30 10 IJEE C=CCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccc(F)cc1 39845030 ZRSLAIZGTNGIGF-UHFFFAOYSA-N 437.290 4.674 30 10 IJEE COc1cccc(C(=O)/N=C(/NCc2ccccn2)Nc2cccc(C(F)(F)F)c2)c1 46126886 SQTVAEHWEPINAE-UHFFFAOYSA-N 428.414 4.507 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 63393176 WVAZREBZISZBTH-UHFFFAOYSA-N 436.512 4.687 30 10 IJEE CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC[C@H](O)CO 95866539 DUUKZBGYNMHUHO-DHIUTWEWSA-N 432.642 4.522 30 10 IJEE Cc1ccc(C)c(N/C=C2\C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)c1 105337252 NWYJYUHUCHXDQZ-UDWIEESQSA-N 442.537 4.990 30 10 IJEE CCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2ccccc2F)C(C(C)=O)=C1C 169933129 DIWKUYJTOKUKTE-NRFANRHFSA-N 428.529 4.527 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccncc1 169947556 BFFLRFFZNZZBPP-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)cc1 169954220 VQNWZJNEOUGKGJ-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 169975354 UHKYLRNMACZVJR-OAQYLSRUSA-N 425.500 4.738 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4sc(C)nc4C)[C@H]3c3ccccc3)nc2c1 170056198 OJXGZGBJDHQLST-LJQANCHMSA-N 444.516 4.728 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)c1 170119267 PCBCRXWJCFUURO-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(N(C)C)cc1 170128815 MEHXDAYFSYUOCR-NRFANRHFSA-N 442.943 4.793 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccs2)cc1C 170157936 GNCJPNFGAQUZGA-JOCHJYFZSA-N 447.512 4.919 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 170233577 FHXFFHMCXNTUJL-XMMPIXPASA-N 433.548 4.959 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)cc1 170233641 IFRRBRGXPKIIHZ-HSZRJFAPSA-N 437.536 4.869 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1OC 170239502 OZMYNVFEOHPYIF-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccccc1C 170270380 MRCMSQRVLMUYFG-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2ccco2)c1 170285637 XNFFPWOKLIKJFT-HSZRJFAPSA-N 444.487 4.508 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(C)o1 170299087 AJRUDVCPTMFSSC-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301811 ZOBHSZHSIXVLBL-QFIPXVFZSA-N 431.444 4.716 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1O 170322856 XBELWOXFRFCMEK-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(OCCC)c1 170323353 BYVDQJWPKNZVDO-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(N(C)C)cc2)c1 170443092 CMYUYAUWCMYIII-QHCPKHFHSA-N 446.503 4.917 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)nnc1-c1ccco1 482491197 QEAKXGFLSGFZDJ-HRAATJIYSA-N 440.544 4.955 30 10 IJEE Cn1cc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(-c2ccc(C#N)cc2)n1 491089716 NAEVIASAFUPWCW-QHCPKHFHSA-N 445.954 4.560 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508846134 FNYGTTRMQOJEMH-AWEZNQCLSA-N 430.915 4.814 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 520615994 IGLZBHFSNYOHQC-QHCPKHFHSA-N 447.627 4.703 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)o2)ccc1OC 526516109 NJRJSTNUSPSTDO-QHCPKHFHSA-N 430.460 4.924 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])s2)c1 526517555 UPCSRMGAHVTIEQ-NRFANRHFSA-N 447.472 4.984 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(SCc3ccco3)C2=O)cc1 526666873 ZBEHUBQDDAGSDN-UHFFFAOYSA-N 445.500 4.680 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc([N+](=O)[O-])cc1 526829409 HMKIDVSOHOMQQM-BKUYFWCQSA-N 440.485 4.612 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 536060086 VASYMWXMRALURD-QGZVFWFLSA-N 447.276 4.540 30 10 IJEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 558988906 BKTJOMQMFIJBIG-UHFFFAOYSA-N 429.572 4.581 30 10 IJEE N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2)c1 581340520 BQLNCRMUUQVDQF-UHFFFAOYSA-N 431.879 4.748 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 608941465 PKIOFXOBHNLCME-GVAUOCQISA-N 427.548 4.546 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 610304172 NORLBQHJJSSXQP-RUZDIDTESA-N 436.515 4.992 30 10 IJEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccccc1OC 716135785 QJNLLPGEAPUBQX-DEOSSOPVSA-N 445.560 4.976 30 10 IJEE C/C(=C\C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1C(F)(F)F 741917326 WTZFQSUPOXXRLY-DTQAZKPQSA-N 441.453 4.858 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2csc(C)n2)c1 765138676 GXJIFVMMZJKTTQ-UHFFFAOYSA-N 447.969 4.739 30 10 IJEE N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)s1 771659614 AMHPFVIUVBTSQE-LJQANCHMSA-N 428.460 4.597 30 10 IJEE CC(=O)N(c1nc(C=NNc2c(F)c(F)nc(F)c2F)cs1)c1ccc(F)cc1F 916325474 PFDLYABNRSKDEC-UHFFFAOYSA-N 445.348 4.503 30 10 IJEE COc1cc(C=NNc2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccccc1 1081086701 SPKPUWRQWMQMHH-UHFFFAOYSA-N 439.518 4.519 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1 1084539816 ZBFWFQUMEQEBEA-UHFFFAOYSA-N 446.989 4.747 30 10 IJEE CN(C)c1nc(Cl)c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1 1125260117 ANRKWYNDQUBHCC-UHFFFAOYSA-N 428.920 4.716 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)c1 1125294186 OPANYIGQQLUFKG-UHFFFAOYSA-N 440.286 4.531 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCCN1C(=O)OC(C)(C)C 1125553617 NZHMDMAIVNHOJM-DEOSSOPVSA-N 445.629 4.520 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cc(Br)ccc2F)CCCN1C(=O)OC(C)(C)C 1129473660 BSKYXXYXWCZRHC-FQEVSTJZSA-N 441.341 4.550 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(CN3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1132745481 USZDGPRURDLJKY-VWLOTQADSA-N 427.589 4.957 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)cc1C#N 1134030601 TXZQEAIEOATBEU-LBPRGKRZSA-N 436.242 4.721 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(NC(=O)CC)ccc1Cl 1136357524 JSJKPVBBTQMCNW-HNNXBMFYSA-N 430.332 4.663 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1153313955 XOLZFFJBGAMMDM-AWEZNQCLSA-N 440.443 4.822 30 10 IJEE C=CCC(C)(C)CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1159425492 AHGKBIJTFQRBOB-UHFFFAOYSA-N 442.625 4.795 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)cc1OC 1167204500 JYRMBHFCICXBDR-LLVKDONJSA-N 426.257 4.792 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1nnc(CC(C)C)s1)c1ccc(C(F)(F)F)cc1 1168563979 RXUCPMIFSBJKRH-INIZCTEOSA-N 426.508 4.991 30 10 IJEE C=CCn1c(SCc2ccc([N+](=O)[O-])cc2Br)nc2sccc2c1=O 1188282304 BEIHYXPNAKCYHI-UHFFFAOYSA-N 438.328 4.607 30 10 IJEE C=CCC[C@H](NS(=O)(=O)CCc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1211148015 JMJTWKMBYBEATO-FQEVSTJZSA-N 427.488 4.883 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@@H](C)C2)n1 1221880894 UTIOBWBQTBDLHD-KJWPAHLWSA-N 436.600 4.550 30 10 IJEE C#CCN(C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12)C(C)C 1251250096 ITGJIVUYESRVLA-UHFFFAOYSA-N 432.421 4.712 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)c(OC)c1 1264962092 XGKLKAMSJAGTFP-UHFFFAOYSA-N 449.478 4.904 30 10 IJEE C=CCC1(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)CCCCC1 1272726134 QOFSMIJLLGLDPV-UHFFFAOYSA-N 433.581 4.817 30 10 IJEE C=C[C@@H](CC(=O)NC1CCN(Cc2cccc(Br)c2)CC1)c1ccccc1 1275839585 UMXSQYMJBVTISN-IBGZPJMESA-N 427.386 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCC1CC(OC(C)(C)C)C1 1286400081 VOSNQDTUHFVJEM-UHFFFAOYSA-N 444.623 4.805 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ncc(CC)s1 1286401123 JJIGCVBEHOLHTJ-UHFFFAOYSA-N 449.649 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@](C)(O)c1cccs1 1286519194 SYYQGFLXEFJXDL-NIJXNBFTSA-N 434.609 4.781 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCOC(C)(C)C 1286520392 IQXKUKVFWDGWOJ-RUZDIDTESA-N 440.588 4.550 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286635805 BSHRFLALYNZWDB-GOSISDBHSA-N 443.020 4.749 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)c2ccccn2)CC1 1286664401 WXRWMSBQARPWGM-UHFFFAOYSA-N 431.584 4.941 30 10 IJEE C=CCCCCn1c(N2CCC(c3nccs3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286691909 UFDSLRRUMZBFDP-HSZRJFAPSA-N 445.633 4.516 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(Cl)c1C 1286731586 QQHFGTFZQVOLRA-HDICACEKSA-N 445.995 4.681 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1286744628 KETNOYCEDHSKGV-WOJBJXKFSA-N 427.612 4.929 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC1(N2CCSCC2)CCCCC1 1286752661 CVHXGJGPLFJQKL-UHFFFAOYSA-N 441.645 4.777 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCc2cccc(Br)c2C)cc1OC 1288698876 DASANOGDHFKACI-PKNBQFBNSA-N 430.342 4.703 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc3cc(C)c(F)cc3s2)nnc1-c1ccco1 1289245278 JLGNOCRBESFWAI-UHFFFAOYSA-N 443.529 4.902 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)C2(C)CC2)ccc1Cl 1289492254 CSGQBZRRHZCERV-MRXNPFEDSA-N 432.973 4.640 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCOCC1 1300602576 RWWNDEQRPYXMRO-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCN(C)C1CCCCC1 1300614137 XRXRITIQPHVGJN-UHFFFAOYSA-N 430.600 4.607 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@]2(CC=CCC2)C1 1300766205 WUFOAYIDHGLCLY-DEOSSOPVSA-N 442.579 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301033357 DPRSDGLZLDBPOL-HSZRJFAPSA-N 427.980 4.831 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCN(CCC)CC2)CC1 1301066457 POABFNKXQICPJK-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)C(F)(F)F)CC1 1301078354 OKUWOJMKTWTARV-UHFFFAOYSA-N 430.478 4.876 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCC2(O)CCC2)CC1 1301106406 UIXUHWIILUMEQD-IBGZPJMESA-N 440.588 4.524 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](C)N(CC)CC)CC1 1301120469 SAFYDAMMOFNZSI-IBGZPJMESA-N 434.588 4.733 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1301281087 AXQKJRUWYIHCEU-YLJYHZDGSA-N 443.020 4.760 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nc(C)cs1 1301341165 JXDSCWYICLYEJW-DYESRHJHSA-N 448.596 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1301357297 MQOKJXXHGVDELB-KRWDZBQOSA-N 447.649 4.991 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1Cc2ccccc2C1)C(C)C 1301368270 ZTLJXJCLEWHJBA-XMMPIXPASA-N 428.584 4.559 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1301397609 XYKULTNGTJDAEK-MYDTUXCISA-N 443.680 4.743 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccncc2Cl)C1 1301538602 IZZPMACZGJTHPY-RTWAWAEBSA-N 437.975 4.698 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCS[C@H](C)[C@@H]1C 1301621118 QZDSTZJEGRSWMB-ZWKOTPCHSA-N 432.659 4.669 30 10 IJEE CC(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1 1302791765 BLSFBDJSDJMZLR-XUZZJYLKSA-N 437.588 4.560 30 10 IJEE C#CC1(NC(=O)[C@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1303026009 BEIYHKPVYCZODN-VWLOTQADSA-N 442.559 4.922 30 10 IJEE CCC(CC)[C@@H](Cn1c(N(Cc2ccc(C#N)cc2)C2CC2)nnc1C(C)(C)C)N(C)C 1305713266 FGFMILOUJDDMJW-HSZRJFAPSA-N 436.648 4.983 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N[C@@H](c3ccc(Br)cc3)C3CCC3)C2=O)cc1 1307623079 HMFJQMABBICPAI-FGZHOGPDSA-N 438.369 4.947 30 10 IJEE C#C[C@@H](NCc1nc(Br)c(Br)n1CC)c1ccc(Cl)cc1F 1308757085 AYFDGIHECYPPRL-GFCCVEGCSA-N 449.549 4.685 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1311189406 PXVNCOUBPBMQKK-GFCCVEGCSA-N 436.215 4.638 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCCO[C@H]1CC(C)C 1312562376 WENYUHQIFYLEQD-OALUTQOASA-N 427.358 4.880 30 10 IJEE CS[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1316390889 BYQCHOIILCKKCU-DNVCBOLYSA-N 442.633 4.521 30 10 IJEE CC(C)CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 1352723724 GFOFSPRQWPDCPC-HSZRJFAPSA-N 446.551 4.524 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cc3ccccc3)CC2=O)cc1Cl 1352937907 CKMBQSFMKQPPAJ-HXUWFJFHSA-N 429.907 4.794 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(Cn2cccn2)on1)c1ccc(C)c(C)c1 1353413329 PYDQSGACSZMURR-UHFFFAOYSA-N 442.519 4.948 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CCOC)CCCC1 1358875534 ROHRRRWPTQUGBD-FQEVSTJZSA-N 431.584 4.857 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1358916197 CWGKTUYVQUJXMX-RTBURBONSA-N 434.506 4.912 30 10 IJEE C#CCCCn1c(N(C)[C@H](C)c2cc3ccccc3o2)nnc1[C@]1(OC(C)C)CCOC1 1358935973 YVUCTGVAIGTXFG-CLOONOSVSA-N 436.556 4.676 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCc1ccc(Br)s1 1358938478 BNPINXKUPSEFSU-GOSISDBHSA-N 443.414 4.956 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C)CC1 1359093907 VBGPSYVGEBUKLG-CRAIPNDOSA-N 448.409 4.643 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](COCC)C1 1359143585 GPRPQGIDYLGQFI-SFHVURJKSA-N 425.964 4.807 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cn(CCCC)nc2C)CC1 1359168066 HEUJQHQJFPYZMP-UHFFFAOYSA-N 448.615 4.984 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(CC)(CC)SC)CC1 1359168477 WGCKXWGEQLTGFP-UHFFFAOYSA-N 425.602 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1359177111 ASYDOCBNMMECRQ-LJQANCHMSA-N 433.556 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C)C1 1359184982 HHXGGFYYEPWFJM-ZDUSSCGKSA-N 425.396 4.597 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1359218641 QHINZUFKQSTLHS-UHFFFAOYSA-N 439.007 4.829 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1csc(COC)n1 1359233002 NMQHDKJFPLQACD-UHFFFAOYSA-N 448.596 4.626 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1ccc(OC(C)(C)C)nc1 1359272834 DQNSWIMMEGPBJX-UHFFFAOYSA-N 435.547 4.807 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)c1nc(C)cs1 1359279883 WNVVLMMCGOBFPQ-QGZVFWFLSA-N 448.596 4.701 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C1CC1 1359337931 GMPJXJYXANPYLM-UHFFFAOYSA-N 427.799 4.879 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(C)C 1359339282 ZJYPUEOUNMKYDM-UHFFFAOYSA-N 427.387 4.858 30 10 IJEE C=CC[C@]1(C(=O)OCc2ccn(-c3c(F)cccc3F)n2)CCCN1C(=O)OC(C)(C)C 1435752959 QBZUKWXTQZTNAI-HSZRJFAPSA-N 447.482 4.540 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1 1436641464 PSPATVVSNQCVCI-UHFFFAOYSA-N 432.318 4.646 30 10 IJEE C=CCN(C(=O)c1csc(NC2CCCCC2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1447732209 WFRUFWPFMINUKT-NRFANRHFSA-N 441.597 4.690 30 10 IJEE C=CCCC[C@H](C(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1452992369 BDTRCXGWUXXFHK-UXHICEINSA-N 430.470 4.763 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1459785930 QDAFGWRMPPTXDU-NHCUHLMSSA-N 440.609 4.572 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)C(F)(F)F)cc1 1460041826 OGXWPMKJKVLORB-FQEVSTJZSA-N 434.410 4.849 30 10 IJEE C#CCN(Cc1c(OC)cc(F)cc1OC)[C@H]1CCOc2ccc(Br)cc21 1461986995 MXTSTSOEHMFZSO-SFHVURJKSA-N 434.305 4.564 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 1463783168 GKNQTCJXFWSGLS-QFIPXVFZSA-N 429.605 4.885 30 10 IJEE C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1465222939 ATTKZFKFCLQJOI-HZPDHXFCSA-N 439.516 4.559 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)c1 1465382465 FQRAWOGOLRSGCM-UHFFFAOYSA-N 429.492 4.737 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(Br)cc1 1466497433 ODAVAGODAVNEDM-MRXNPFEDSA-N 433.103 4.579 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1468822749 GFBGCAIPDHXZRQ-QGZVFWFLSA-N 437.437 4.701 30 10 IJEE C#CCN(C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1471053650 WAEUOEKPBOEJNW-GOTSBHOMSA-N 439.600 4.915 30 10 IJEE N#Cc1ccc(N2CCC[C@H](Nc3nc(-c4cc(Cl)cc(Cl)c4)no3)C2=O)cc1 1472754815 CATRFEUSVANXBQ-KRWDZBQOSA-N 428.279 4.523 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(I)cc1Cl)c1ccc(F)cc1 1475867261 OXXSMAUYVKVRNI-CQSZACIVSA-N 428.632 4.580 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1c(F)cc(F)c(F)c1F 1476729638 WODCEKRDQPZVGQ-UHFFFAOYSA-N 433.199 4.892 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)cc1 1476754849 GVIFUYRXZPYTOP-HKUYNNGSSA-N 440.956 4.638 30 10 IJEE C#C[C@@H](NC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1477151220 OIPBEYMWICEQOE-AEFFLSMTSA-N 425.248 4.900 30 10 IJEE C#CCN(C(=O)NCC1(OC)CCC(C)CC1)[C@H]1CCOc2ccc(Br)cc21 1478578057 LAQZCYIDPKZNKJ-UEUGHCDMSA-N 449.389 4.513 30 10 IJEE C#C[C@H](NC(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1478895227 CCRMMUXRXGRDCP-XLIONFOSSA-N 433.980 4.741 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@@H]2CCOC2)CC1 1507575545 SBSTVUXKGSQPKL-FYYLOGMGSA-N 436.600 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507673179 OIGUDDHHQRSQAN-VQTJNVASSA-N 444.501 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H](C1CCCCC1)N(C)C 1507771022 WKMNILFFIOPGKH-RPLLCQBOSA-N 433.644 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCCCc1ccccc1 1507796531 BCFAZTYXJBKZSL-RPWUZVMVSA-N 431.584 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1507802416 ALLBSYOAHSCTAE-KNQAVFIVSA-N 426.561 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1SC 1507811652 CSKLCZFLCTYVKL-HSZRJFAPSA-N 448.608 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCO[C@H](C)C1 1507814793 IQIWTTCVGSCDOO-UXHICEINSA-N 442.604 4.958 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCCCC1 1507831604 BKUAODFGLUQTRC-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1507944581 UPFGIKXIVFNOMN-UHFFFAOYSA-N 441.923 4.511 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(CN3CCCCC3)cc2)C1 1508110179 SFXUEAXHEYMKKQ-ZJSXRUAMSA-N 437.632 4.607 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1508151062 KJPYTDCYOJKSSD-NRFANRHFSA-N 438.597 4.604 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1508157746 ARWPRSXTUHKSFC-UHFFFAOYSA-N 434.009 4.583 30 10 IJEE Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1519890821 DUNOQNRZBFZMDO-IBGZPJMESA-N 430.895 4.574 30 10 IJEE C=CCc1cc(C(=O)Nc2nc3ccc(Br)cc3n2CC)cc(OC)c1OC 1520964435 ZTISDZQJAMODSX-UHFFFAOYSA-N 444.329 4.817 30 10 IJEE C=CCCCCCN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1522833298 NCRVCAZKGKFPBF-GOSISDBHSA-N 435.406 4.815 30 10 IJEE C#CCC1(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)CCCCC1 1524490271 ZDCKKWLQOOTKPI-UHFFFAOYSA-N 429.513 4.530 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cc(C)cc(NC(=O)OC(C)(C)C)c1 1525700686 UQMUNVCMIYNSAQ-UHFFFAOYSA-N 426.513 4.845 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1ccc(Cl)cc1F 1528107608 CXNHHSGPZXFICC-IBGZPJMESA-N 446.707 4.591 30 10 IJEE CCc1c(C)sc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1C#N 1529661473 GEINLZBPHNUPOY-FZKQIMNGSA-N 436.364 4.956 30 10 IJEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnnn3C3CCCC3)c2C#N)C1 1529882445 GEDDLXREKGVGHS-ZDUSSCGKSA-N 444.630 4.603 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1 1533418748 AATBECCZSVAUTJ-UHFFFAOYSA-N 431.344 4.988 30 10 IJEE COc1cc(NC(=O)c2ccc(-n3nccc3-c3ccc(F)cc3)cc2)c(F)cc1C#N 1533716763 BKDSFPABLGWWSA-UHFFFAOYSA-N 430.414 4.950 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 1535721069 ACHZNLDUNJEJEH-FGZHOGPDSA-N 427.386 4.890 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1537389135 HUUQNJFUPKWJEF-UHFFFAOYSA-N 439.446 4.952 30 10 IJEE CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1537929427 HMFYSKNZFIOPCY-JOCHJYFZSA-N 449.551 4.609 30 10 IJEE C#CCC1(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CCCCC1 1538563308 XUVIMWIJLZVPBY-UHFFFAOYSA-N 429.314 4.750 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCSC1 1539305074 OHLMQCRRRMLSCG-LJQANCHMSA-N 438.666 4.882 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1ccc(OCCCC)c(OC)c1 1539549627 MXKDQMSMHRFCQP-AREMUKBSSA-N 445.567 4.568 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 1539729690 RGJABKSLYACBAU-GJZGRUSLSA-N 437.357 4.532 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCSCC)CC1 1539848018 KTSKQDVZUHEELB-UHFFFAOYSA-N 449.665 4.692 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1539890260 LHSIPRHWDHNRDW-JOCHJYFZSA-N 425.621 4.581 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@H]21)C(C)C 1540146846 FTVUTVFXTKNFSZ-WXFUMESZSA-N 430.600 4.504 30 10 IJEE CC(C)COc1ccc(C2(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CCC2)cc1 1540550024 FSKJJRXXGMCTQX-VWLOTQADSA-N 449.570 4.691 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2csc(C)c2)C1 1540884667 SXANKRIIFZDZTQ-UWJYYQICSA-N 442.560 4.757 30 10 IJEE C=CCOc1cccnc1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 1544934141 XXWLEXUKDNLBSL-MRXNPFEDSA-N 441.503 4.572 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)c2)cc1 1558111942 AZZWTNDGYSPAGS-FGZHOGPDSA-N 439.437 4.566 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCCCCC2)nc2sc3c(c2c1=O)CCCCC3 1559309915 IBVXMDVGBJHTCW-INIZCTEOSA-N 445.654 4.796 30 10 IJEE C=CCC[C@@H](NC(=O)NCCNC(=O)c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1564406218 BJYSHDYWALEAIF-HXUWFJFHSA-N 433.474 4.750 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@H](C)C1 1566426773 WSZWDVBWWBXTDO-WYEJZRMESA-N 448.563 4.544 30 10 IJEE CCC[C@@H](C(=O)N(C1CC1)[C@H](C)C#N)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1583902761 BGMDUSSRRIQGIR-CJAUYULYSA-N 445.563 4.939 30 10 IJEE Cc1ccc(Oc2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)nc2)cc1 1586960351 IFJZGBZKSMXGKL-UHFFFAOYSA-N 431.467 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C1CC1)N(C)C 1587575428 VIWSJDTTXYJYOK-YOEHRIQHSA-N 428.005 4.611 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cscc1C(F)(F)F 1588015637 BQHPQHBGRSPRAN-UHFFFAOYSA-N 440.878 4.709 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@H]1C 1588283984 JNGYWQHKYIFIIN-HXUWFJFHSA-N 439.673 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)OCC 1589186013 OSRHMHXHCIQNIL-RUZDIDTESA-N 440.588 4.550 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC1CC(F)C1 1593834075 HRUYKNUOILYNNQ-UHFFFAOYSA-N 443.748 4.653 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2CCOCC2)CC1 1594192290 HEOBABACEQCBQD-LJQANCHMSA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1594566663 JKOCKLBQSIXIGS-ICSRJNTNSA-N 427.980 4.597 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1sc(C)nc1C 1595076266 ZEAQGYVVQGXYFW-UHFFFAOYSA-N 448.596 4.606 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCSC2)C1)C(C)C 1595170718 IMWADNJAJJVINV-OFVILXPXSA-N 445.721 4.899 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCC1(F)F 1595260010 FTJQKWDAANTPDG-MOPGFXCFSA-N 434.531 4.826 30 10 IJEE C=CCC1(C(=O)Nc2cc(C(=O)OCC)ccc2I)CCCCC1 1595574354 XBWYLAWVEKSADQ-UHFFFAOYSA-N 441.309 4.933 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](CC)OC)C1 1595681407 QPDDHLUILFFACF-DHIUTWEWSA-N 449.599 4.559 30 10 IJEE C=CC1(CC(=O)Nc2ccc3sc(C(=O)OCC)cc3c2)CN(C(=O)OC(C)(C)C)C1 1596606129 SWOWPSWBZVVCQS-UHFFFAOYSA-N 444.553 4.830 30 10 IJEE C=CCn1c(S[C@H]([C@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1613104929 VGQZLONPHTUKKU-BFQNTYOBSA-N 444.544 4.828 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC[C@H](C)CC)c1 1616979191 QALQMCYPJHMSFV-QGZVFWFLSA-N 434.989 4.887 30 10 IJEE Cc1ccc([C@@H](CC(F)(F)F)NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 1622000132 HEAMTCONPQWNQY-MRXNPFEDSA-N 436.377 4.858 30 10 IJEE CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(OC)c(C#N)c1 1624703913 BDDCHIPZRNQJQS-UHFFFAOYSA-N 426.270 4.799 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)C1 1625057100 AQSGLAREEUNHKN-GSPCLOLRSA-N 437.584 4.547 30 10 IJEE Cc1cc(Cl)c(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1Br 1625515864 GPXTUHHCQFAKPJ-UHFFFAOYSA-N 433.737 4.637 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)n[nH]2)c1C 1625580773 GUNSXUGMHQAVRB-DEOSSOPVSA-N 429.499 4.735 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 1627435449 LHCBMSTYNYQULY-YTTGMZPUSA-N 446.572 4.912 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 1627707974 BFOKOIBEDARFDK-SJORKVTESA-N 445.412 4.992 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCc1c(C(F)(F)F)[nH]c2ccccc12 1637604711 RYKMWFGAJUMZLB-UHFFFAOYSA-N 435.446 4.602 30 10 IJEE C=CCn1c(SCC(=O)N(C2CCC(C)CC2)C2CC2)nc2cc(Cl)ccc2c1=O 1640577151 DHNFRFATUBSTJU-UHFFFAOYSA-N 446.016 4.898 30 10 IJEE C#Cc1ccc(CNC(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1640977210 WCFVYYQZMABDSQ-UHFFFAOYSA-N 438.527 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)C2(CCC2)CC1 1643118566 NICLLHNXYUWXIM-UHFFFAOYSA-N 438.341 4.830 30 10 IJEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 1645391203 NEPWLPUSZFVSCL-JOCHJYFZSA-N 449.400 4.504 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 1645647236 MTJJPHWQXSLPKX-WMZOPIPTSA-N 433.618 4.587 30 10 IJEE C#C[C@H]1CCCCN1CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 1655826110 BHPFCMYIOWSJSV-QFIPXVFZSA-N 426.564 4.891 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](c3ccccc3Cl)C2)n(-c2ccccc2)c1C 1657288501 HFKTXQWWRUMYBA-QHCPKHFHSA-N 448.954 4.631 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1 1657415018 AMKXXPOUISRXPJ-NHCUHLMSSA-N 439.003 4.662 30 10 IJEE N#CCOc1ccc(NC(=O)NCC2(c3cccc(Br)c3)CCCC2)cc1 1657823431 CDWIWSOCICUMQR-UHFFFAOYSA-N 428.330 4.985 30 10 IJEE Cc1cc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)ncc1C#N 1663853471 HYJOQCOEOWZYRY-NRFANRHFSA-N 425.964 4.680 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1667555457 USYHKXLDOOMARE-QHCPKHFHSA-N 448.494 4.960 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(Cc3cc(F)ccc3Cl)c2)cc1 1673023572 WETVROLAXLKSNO-UHFFFAOYSA-N 442.882 4.675 30 10 IJEE Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)CC2)c1 1673909177 AOQVFRHQYBBFKR-UHFFFAOYSA-N 442.519 4.656 30 10 IJEE O=C(NC[C@@H](CO)c1ccc(F)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1676557635 BWSKXFCYBRHXKK-XJKSGUPXSA-N 438.343 4.523 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C 1679243375 GCYMIROQJVGXNL-SXWKCWPCSA-N 448.563 4.964 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccc(OC)cc2)CCC1)c1ccc(Br)cc1 1680919545 VRMPUCYAGKOJIQ-HXUWFJFHSA-N 427.342 4.553 30 10 IJEE C#CCN(C(=O)NC[C@@H](SC)C(C)(C)C)[C@@H]1CCOc2ccc(Br)cc21 1681306376 QRFAQTPYZJAWHJ-SJLPKXTDSA-N 439.419 4.695 30 10 IJEE C#C[C@@H](NC(=O)N1CC(Cc2ccc(Br)cc2)C1)c1ccc(Cl)cc1F 1683516975 NDAJAIWESFLZEB-LJQANCHMSA-N 435.724 4.800 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C)c1ccc(Br)cc1 1683681619 RPXGOJLBJLFHRQ-TYCQWZJGSA-N 427.342 4.603 30 10 IJEE C=CC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)CC1 1683746390 AFHHQLGBZXEKFT-NHCUHLMSSA-N 431.552 4.526 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1684462045 PMSAZXANHQVFDX-HXUWFJFHSA-N 435.515 4.561 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)C(F)(F)F 1689949576 JMHFBLCQGCSMQD-UHFFFAOYSA-N 433.247 4.505 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C(C)C)N1CCCC1 1690063767 OWHUNMVRQLLJDF-PZJWPPBQSA-N 439.673 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1690235607 BOBXJMBNYJHIFN-GWJPWWOOSA-N 442.604 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC)CC1 1690252476 FHQCEWFWOBPNSS-CVDCTZTESA-N 428.552 4.604 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1690406454 GTQRZKQZFOVZTC-AZUAARDMSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(F)cc(C)c2C1 1690442157 NRLBPZPKODHYEN-UGKGYDQZSA-N 442.579 4.615 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1690515557 PENJLQDRFQLACK-INIZCTEOSA-N 427.549 4.735 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@H]1CCO[C@H]1C(=C)C 1690560713 ZPPHGIXPWDMPSW-RPWUZVMVSA-N 431.584 4.981 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CC 1690569570 JJPPPYMUHQEWRL-QFIPXVFZSA-N 434.563 4.546 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)C1 1690692275 VMNXUODOLUEVJL-PZJWPPBQSA-N 441.526 4.814 30 10 IJEE CCN1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1695852523 DEBUHOWXXDQBJX-QFIPXVFZSA-N 441.023 4.527 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)CCC(C)C 1705607059 OSNLCEVANBDXHF-UUOWRZLLSA-N 428.646 4.778 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCSC1(C)C 1705619463 RJQAEQOUDHLEKB-IBGZPJMESA-N 435.572 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(OC)CCC(C)CC1 1705713243 YIVMSAKEYCFWTE-UHFFFAOYSA-N 442.604 4.960 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC(C)(C)C1 1705724274 CDOCMOULJXGKJH-SFHVURJKSA-N 434.588 4.684 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OCCC)CC1 1705728811 YBIVIXOXFDNXNC-PMACEKPBSA-N 447.624 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1705765230 DIUGFQPXTMWTHS-VQTJNVASSA-N 440.588 4.712 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(Cl)c(F)c1 1705808642 UAXRMBYHMMJUEA-UHFFFAOYSA-N 430.959 4.925 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1OCCC1(C)C 1705857085 PCDQFOLXYUZRCA-QHCPKHFHSA-N 447.583 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCC1CCOCC1 1705870098 CANNCKCSQLXUGD-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cnccc1OC 1705870695 OEDQNDAHOBQMEL-QGZVFWFLSA-N 435.597 4.762 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)C1CCCCC1 1705876404 XBUMMJQRIGERMF-DEOSSOPVSA-N 430.543 4.657 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2Br)C[C@H]1C 1708175202 BIWGILGRVOSFDN-ZIAGYGMSSA-N 442.386 4.781 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C(C)C)C1 1722323897 ITUWDAXMOFAQET-TZIWHRDSSA-N 445.007 4.963 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC=C(C)CC1 1722480558 QWSDIUZHNCFLID-UHFFFAOYSA-N 447.377 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)C1 1722491959 PALVLSRVYPOVAC-SMHWLNOISA-N 446.542 4.723 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1722570188 WPIXNXLIHHKJIG-FQEVSTJZSA-N 444.023 4.931 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OC)C1 1722592983 DKCIXNNZRQKLLV-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@](C)(CC)C1 1722625922 CPUGIRAVCGDVAX-NRFANRHFSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1722626306 BMVATDVWEGEYGJ-LJQANCHMSA-N 429.634 4.931 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CCN(C)C(=O)OC(C)(C)C 1722667135 AFDVJZJDYGAACF-UHFFFAOYSA-N 449.958 4.783 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H](C)N2CCCCC2)C1 1722714597 IMGIKTYINYBLRR-WOJBJXKFSA-N 444.023 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2CC(C)(C)C2)C1 1722721705 JBSQPUYWDOLCOE-LJQANCHMSA-N 442.629 4.797 30 10 IJEE CO[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1729861842 BQUDPACUXCJEDB-UZLBHIALSA-N 445.995 4.873 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cc(C)on1 1740711685 RFHCWZFKAPRTOE-UHFFFAOYSA-N 441.626 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)CCC 1740725232 JEHQPKAYXBMDBW-KAYWLYCHSA-N 445.611 4.896 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCc2ccccc2C1 1740775309 VBVIVXUPELKKPM-UHFFFAOYSA-N 444.627 4.503 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740797688 SSBHZTDCBVIBCK-IRFCIJBXSA-N 428.552 4.604 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740807595 GUOPCTCHSRIYFK-UHFFFAOYSA-N 440.281 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCCCCC2)CC1 1740820589 JRGYQSZUJSXFSZ-UHFFFAOYSA-N 429.996 4.640 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(C)cc2C)CC1 1740837343 ZYSINXSATBFEOB-SANMLTNESA-N 438.616 4.581 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1740840155 XDDJNJXVNSJTIZ-HXUWFJFHSA-N 431.584 4.554 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1cccs1)c1ccccc1 1740853733 IJOPSIPDJDZWQA-FPOVZHCZSA-N 435.597 4.677 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1740886732 QOCZMIWWUVKXFD-XLIONFOSSA-N 444.626 4.551 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)c1ncc(C)s1 1740904900 BOZFCQCGITXLCZ-HNNXBMFYSA-N 429.615 4.770 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@H]1C 1740916971 CGEYRIUTMWNEEZ-UQAQOTMJSA-N 449.599 4.503 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(OC)CCCCC2)C1 1740974627 GURIOULMRQFKLY-SFHVURJKSA-N 448.970 4.868 30 10 IJEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)c2c(C)noc2C)s1 1742614260 GZILHFAZDLWVNW-AWEZNQCLSA-N 447.568 4.627 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[C@@H]1CC 1748776843 RVQUUKXRBWJVFW-JKSUJKDBSA-N 431.378 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@@H]1CC 1748831566 PSYNILRGALCRAU-IRXDYDNUSA-N 443.364 4.746 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCC1(F)F 1748834348 JWOHFLBHHFUVJR-MRXNPFEDSA-N 432.902 4.505 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1CCC(F)(F)CC1 1748922728 JRSBIDQWIZWOJI-UHFFFAOYSA-N 425.483 4.885 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1Cc1cc(C(CC)CC)no1 1748944169 OIRJIQBTLPIXGN-UHFFFAOYSA-N 446.530 4.992 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C2CC2)C1 1749023482 SPEFDIKODJFWBE-FUHWJXTLSA-N 431.005 4.674 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1749033045 YICAPCYKLHFQFC-DENIHFKCSA-N 434.613 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CC1(C)CCOCC1 1749149999 LSNQOZFXDJDGGF-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1749293633 RWYPJKCDFIFEOO-MRXNPFEDSA-N 439.913 4.639 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(CCc2cccs2)CC1 1749366658 JBICWHOAGGQMKP-UHFFFAOYSA-N 427.662 4.964 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749419582 LELQZKXFCKGTAW-QFBILLFUSA-N 431.378 4.679 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1749457076 OAIKJCSKQNTLOE-FQEVSTJZSA-N 429.634 4.986 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1749473737 PZZFLJMAHBHRBM-QGZVFWFLSA-N 439.560 4.959 30 10 IJEE COCCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)CC1 1749620964 DHFMFBAPWBAPCF-FQEVSTJZSA-N 438.334 4.511 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2CC(F)(F)C2)C1 1749699534 BAKHEXOIPZGNKZ-OAHLLOKOSA-N 426.870 4.564 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1N(C)CCCC1(C)C 1760224912 CSROIONMMWVNTL-GGAORHGYSA-N 437.632 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCCCC1 1760330421 CCEAZRLGINITJG-UHFFFAOYSA-N 433.394 4.805 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)[C@H](C)CC)CC1 1760398632 FVOHVVBJUOYQGY-MWTRTKDXSA-N 432.996 4.807 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1760405019 PTEVFEDIXGXNPM-QFIPXVFZSA-N 435.660 4.976 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)CN1CCCC1 1760481371 URPFWVIJGKYJTK-QHCPKHFHSA-N 437.632 4.834 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2occc2C)C1 1760536141 DCTKOPYSMHYVRK-RTWAWAEBSA-N 436.556 4.766 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccc(C)s2)C1 1760547832 SKJLADZVZAAUOT-HXUWFJFHSA-N 438.597 4.619 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)C[C@H]1CCCO1 1760560493 WVGZWLUJVONKFS-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCn1cccn1 1760688350 GMBJYOYIJHOJDR-OAHLLOKOSA-N 439.976 4.696 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)cn1 1762778193 DFBRWYBZHYOWON-MOPGFXCFSA-N 430.556 4.672 30 10 IJEE COC1(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H](C)CC#N)CCC1 1769753935 IAAPUHQETOHFPY-LJQANCHMSA-N 439.604 4.852 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc(Cl)c3)n2CCOC2CCCCCC2)C1 1771527788 FNKLREDUCSJIJZ-QFIPXVFZSA-N 431.943 4.780 30 10 IJEE Cc1ccc(-c2nn(-c3ccc(Cl)c(C(F)(F)F)c3)cc2/C=N\NC(N)=S)cc1 1857806599 GEAFXTSUEVHCIJ-MWYAZZEHSA-N 437.878 4.687 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1 1862396941 MUISAXOEFRHHQP-QHCPKHFHSA-N 437.536 4.978 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862448351 LEHHPLMQHFKNSK-LJQANCHMSA-N 428.872 4.873 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862545369 YMPFNZUHAHKQRN-XMMPIXPASA-N 442.490 4.878 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1 1862662746 LUASGTIVVFNZFY-HSZRJFAPSA-N 438.543 4.869 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 1862702946 POXZPFLFLXSOOV-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862726888 QZOKUURVUBZSSY-HSZRJFAPSA-N 439.467 4.793 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 1862827617 XNKRVMBIFXUILV-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2Cl)=C(c2ccc(F)cc2F)C1=O 1862952829 AGXPNFWGUHVTJG-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CN(C)c1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863077344 ILUIBTVGVRHCIE-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(O)c3cccc(C(C)(C)C)c3n2)nc1C 1866518688 JFLBWHFWUCXTAO-UHFFFAOYSA-N 425.510 4.598 30 10 IJEE C#CCOc1cn(CCCCCCO)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871009518 ZKUICTJDHGGMRE-UHFFFAOYSA-N 444.575 4.616 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5oc4=O)cc(C)c3C2=O)o1 1871379406 QIGIUZKEXVWZQT-NHDPSOOVSA-N 428.396 4.838 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC[C@@H]3CCCO3)ccc2C1=O 1871449562 QKFAQDNOCPMHOA-OBLBUWMUSA-N 431.282 4.632 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCC(O)CC2)n1 1871567763 OSNJWLRWFRHUKS-UHFFFAOYSA-N 447.027 4.732 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871912470 WGGSCYKFXRFIMI-MBSDFSHPSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)C1CC1 1872203064 HHVVUAQDTWSNAZ-DEOSSOPVSA-N 440.609 4.995 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCCC 1872206895 FEMYIZOPUIGHLC-HXUWFJFHSA-N 428.598 4.997 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1cc(C)cc(C)c1 1872704375 CRTYEQXYMGMEBJ-UHFFFAOYSA-N 430.549 4.574 30 10 IJEE N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777669 SLKFJXXLEGDVLD-MJGOQNOKSA-N 440.528 4.516 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(-n4cccc4)cc3)C(=O)N(Cc3ccccc3)C2=O)c1 1873197522 PEIMRZQVWLGWDV-UHFFFAOYSA-N 444.494 4.741 30 10 IJEE CCCCOc1ccccc1/C=N/Nc1cnn(-c2ccc(OC)cc2)c(=O)c1Cl 1873525668 PMXGAEAEOXRWRY-ZVHZXABRSA-N 426.904 4.519 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)cc2)cc2c(NCC(C)C)ncnc21 1873603162 XAFIGYNBIGGPMJ-UHFFFAOYSA-N 428.334 4.700 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(C(=O)O)cc2)CC1 1874286545 MEPDYKPECNBXOB-LFVJCYFKSA-N 444.601 4.797 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)c1 1874310513 ZKXNZOGUEKXYNB-YZSQISJMSA-N 429.549 4.641 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874335425 PEZXJOPODWGLKT-MNVTYAKESA-N 447.608 4.794 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3Cl)n2/N=C/c2ccco2)o1 1874367352 XYXLXIMMYYXABO-SSDVNMTOSA-N 442.884 4.746 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2F)o1 1874438177 NTXAASKYVKUOBQ-ZMOGYAJESA-N 444.532 4.950 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccn2)c1 1874452544 ANUPZZIHYZQXQG-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1Cl)Nc1nccs1 1874455165 DPISXOIPJXKSQM-SSDVNMTOSA-N 446.989 4.659 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2)c1 1874465320 CLUBJNQGBIZEOF-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc2c(c1)OCCO2 1874476531 PTPUNJGFZFGDQI-ZVHZXABRSA-N 426.517 4.706 30 10 IJEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)cc1O 1874486550 XUPWNHICOSMUNU-AUEPDCJTSA-N 434.924 4.954 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2nc(O)c3ccccc3n2)cc1 1874490742 IESQYEYVTFEQTJ-AFUMVMLFSA-N 446.580 4.862 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(F)cc1 1874505194 QDZRQPHVBQUMSW-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874525389 KWJQHUVUJKPRTM-ZVBGSRNCSA-N 439.324 4.701 30 10 IJEE CCc1nnc(SCCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874525922 AOZZVOUCVVGPEZ-FYJGNVAPSA-N 431.359 4.526 30 10 IJEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c(C)c1C 1874586317 HHRKTVCZNHEIKG-VMPITWQZSA-N 433.298 4.522 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccncc1 1875099666 SAFGOQZEJDRVCN-VMPITWQZSA-N 433.460 4.613 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cccc(Cl)c2Cl)[C@@H]1c1ccc(C#N)cc1 1890577639 ALHRUVJBXGEEOW-VQTJNVASSA-N 448.375 4.897 30 10 IJEE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)c3ccccc3n2)cc1 1891402795 HJVPHCACBOYWEJ-UHFFFAOYSA-N 448.526 4.744 30 10 IJEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 1945793758 DKXYSYCATVHVGK-WMZOPIPTSA-N 433.549 4.880 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959031454 RRZLVDZBMTTYPW-YKSBVNFPSA-N 439.487 4.918 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCC2 2005325262 JPBNAQKWWQVZRE-XOBRGWDASA-N 447.498 4.763 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)c(C#N)c1 2010517879 SYUJPDNIQVUBJP-LJQANCHMSA-N 443.931 4.650 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C#N 2010550811 SETHXRPEMBFRDG-YWZLYKJASA-N 443.931 4.649 30 10 IJEE CC(C)(C)OC(=O)N1CCOC2(CCC(C#N)(N(C(=O)OC(C)(C)C)C3CCC3)CC2)C1 2040452772 IBBJUCLBSKYMDN-UHFFFAOYSA-N 449.592 4.618 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c(Cl)c1F 2041204799 YYYGUUODFVEHNG-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE C#CCN1CC[C@H](NC)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343826 HQNZTTWJKBUJQP-LBNVMWSVSA-N 426.560 4.813 30 10 IJEE C=CC1(Nc2cc(Cl)c(Br)cc2[N+](=O)[O-])CN(C(=O)OC(C)(C)C)C1 2075314901 GOEBVJPKTXWZSM-UHFFFAOYSA-N 432.702 4.598 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCCC 2110503545 KQDKLUGALMVTDF-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151267812 WBLOFZQFZOGBJS-IQCGEYIDSA-N 446.444 4.613 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCCC 2159126723 XWNOYRDLUAQOTN-RTBURBONSA-N 441.385 4.806 30 10 IJEE CN(Cc1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)o1)C(=O)OC(C)(C)C 2180899349 ZLKWSRDMOBDPAW-UHFFFAOYSA-N 434.290 4.533 30 10 IJEE CCN[C@H](C#Cc1ccccc1)c1ccc(Br)cc1I 2207259721 NKRGVRVLJQNQSI-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE C=CCN(CC[C@H](NCC)c1cc(Br)nn1C(C)C)C(=O)OC(C)(C)C 2224263890 YPUICNSLSPLVHN-HNNXBMFYSA-N 429.403 4.690 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2235734512 XJGFCPALGWOIKA-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C(F)(F)F 2245894912 YZYQJIAVGYHXAV-IFXJQAMLSA-N 433.471 4.610 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2254790913 DPQRKZQUCNQYOZ-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2278271985 NGUWBMRWPJRFKB-XJKSGUPXSA-N 445.423 4.867 30 10 IJEE CC(C)[C@@H]1[C@H](C(=O)Nc2ccc(C#N)cc2Br)CCN1C(=O)OC(C)(C)C 2279441433 FSCLJMZWZJKEKS-RHSMWYFYSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(O)C#Cc1ccccc1Br 2285817168 BIHIWBKJFYYIPW-UGOXUNAQSA-N 434.374 4.635 30 10 IJEE FC(F)(F)C(F)(F)C(F)(F)O[C@](F)(C=CI)C(F)(F)F 2294787002 PXYZPNZRASQXPV-GSVOUGTGSA-N 437.974 4.970 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2296220867 CLTRMNFAGCNVIH-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)C#Cc3cccc(Br)c3)CCC[C@H]12 2296225346 UIJKSVFFFQWOME-PGRDOPGGSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](N)C#Cc1cccc(Br)c1)c1ccccc1 2296267977 YXOKEJZPVWXBAY-PMACEKPBSA-N 429.358 4.784 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296271885 GWDRJARUZFQYQM-OALUTQOASA-N 437.422 4.964 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@H](N)C#Cc2cccc(Br)c2)c1 2296278701 GZLSOXVCJPNEEI-GOSISDBHSA-N 431.330 4.856 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)[C@H](O)c1cc(Br)c(Cl)s1 2296282100 SFUFHLBGGMVTHO-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE Cc1ccc(-c2nn(CCC(=O)O)cc2C=CC(=O)c2ccc(Br)cc2)cc1 2297361687 ODPJFPAJUAAVPL-UHFFFAOYSA-N 439.309 4.992 30 10 IJEE N#C[C@H](CSc1cc(I)ccc1Br)C(F)(F)F 2300851359 KIMKJHWVEFRBKP-ZCFIWIBFSA-N 436.034 4.848 30 10 IJEE CC#CCN(CC(=O)O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315990557 ZXVUWOVPLBLZSQ-UHFFFAOYSA-N 429.516 4.755 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2321856492 KMJFVICMWXIROM-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(O)cc4)cc(C)c3C2=O)cc1 2325551105 MYITUSHWKOCTGB-UHFFFAOYSA-N 429.472 4.897 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)cc3)ccc2C1=O 2325727681 WLMFAEFRQHOFHE-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc1OC 2326398578 URZOGYUJFLTFRY-UHFFFAOYSA-N 440.569 4.794 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)C=Cc3ccccc3)C2)c1 2329232991 OZWAKVZSDMRTTD-XMMPIXPASA-N 431.580 4.958 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329323036 ZUXUMGRJZLEXBP-UHFFFAOYSA-N 431.905 4.551 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(F)cc1 2330529794 GNMKGCUDRDDULE-DEOSSOPVSA-N 440.559 4.749 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1cccs1)Nc1ccc(F)cc1 2330540055 DTTGZKLCBNASSQ-UHFFFAOYSA-N 443.554 4.820 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCCC1 2331032923 BPIMACLRHBUYDC-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1 2331204898 GKMJCSVDHIYMHP-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE COCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1OC(C)C 2331259339 RFCYASBBNWPCHH-UHFFFAOYSA-N 428.533 4.568 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1sccc1C 2331646731 ATTBDRCFEFMNNU-UHFFFAOYSA-N 427.599 4.830 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2c[nH]c3ccccc23)o1 2331695877 XGPOENXORLRUQX-UHFFFAOYSA-N 437.525 4.827 30 10 IJEE COc1nc(Nc2ccc(OCc3ccccc3)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2339784954 KRPZCWZEEYYQSN-UHFFFAOYSA-N 432.329 4.712 30 10 IJEE N#Cc1cc(Cl)nc(OCc2ccc(I)c(Br)c2)c1 2350070706 VSBBXGLCHXGNOG-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCN[C@H]1C(F)(F)F 2370258128 OCQTUEGALHHCPD-RHSMWYFYSA-N 448.283 4.767 30 10 IJEE N#Cc1ccc(N[C@]2(C(=O)O)CCCC[C@@H]2OCc2ccccc2)cc1Br 2374914757 HEQOKIYLMXBCOK-PZJWPPBQSA-N 429.314 4.715 30 10 IJEE CN(Cc1cccc(C#N)c1)Cc1ccc(I)c(Br)c1 2377302005 DHIFHYZCMFZVHK-UHFFFAOYSA-N 441.110 4.557 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(Cl)cc2Cl)NCC(C)C)n1 14156235 DBVFZSJQUBUBMA-UHFFFAOYSA-N 425.389 4.811 30 10 IJEE Nn1c(NN=C(Cc2ccccc2)Cc2ccccc2)nnc1SCc1ccccc1 20826905 PMKLPXZETOQNFC-UHFFFAOYSA-N 428.565 4.538 30 10 IJEE Cc1cc(C)c2nc(SCC(=O)Nc3c(C#N)cnn3-c3ccccc3)cc(C)c2c1 32529186 OALGOMZJWAQIEY-UHFFFAOYSA-N 427.533 4.948 30 10 IJEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2)cc1OC 32943061 OHGPGWBGAPCWSC-UHFFFAOYSA-N 442.519 4.626 30 10 IJEE biogenic C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1OCC 35656372 WMESGISDLNULMV-RLYGRLLTSA-N 438.505 4.582 30 10 IJEE COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/c2ccc(C)c(C)c2)N(C)C1=O 96514184 ZXBNHEXWUMRTNU-MLSMKVKPSA-N 431.945 4.556 30 10 IJEE COc1cccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c1OC 100131125 OMPGXWFWNPGSBL-FQEVSTJZSA-N 428.525 4.563 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)cc2)c(C)c1 169961951 WCHIOMRMUIQANX-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2ccncc2)cc1 170019838 GOFYTIUNSNHHFF-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2F)cc1 170069688 RMHKYTDIQWYROA-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(O)cc1 170132083 QDLQSHBLYRBXHS-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)cc1 170132660 JVXFYVSOZVTBTA-JOCHJYFZSA-N 429.472 4.801 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(C)c2)cc1 170148224 YUDUMRGPYPWBCC-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccn2)cc1 170170966 KQCSKOUXSKAEPU-QHCPKHFHSA-N 428.488 4.744 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)cc1 170198245 MXIDMKOFRWNTOH-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccccc3)oc12 170231302 NNSGQHQOGWBALF-QFIPXVFZSA-N 440.455 4.615 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(C(C)C)cc1 170244827 XHNMSEVTQZJURG-DEOSSOPVSA-N 449.547 4.750 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)c1 170283539 MUJUORTZCDEWPW-FQEVSTJZSA-N 439.851 4.820 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1)c1ccc2c(c1)CCCO2 170296214 FKZSSTBIRZYLQD-QFIPXVFZSA-N 433.435 4.522 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303216 ULWCFYXVBVMQLY-FQEVSTJZSA-N 437.835 4.753 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc1)C2=O 210085952 JZEHLTVARXAEEH-LPYMAVHISA-N 431.400 4.829 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 407159458 NJAOCSHWVVLZII-CVEARBPZSA-N 429.403 4.737 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1C#N 440131357 ZVWYELPSEIGAOY-SFHVURJKSA-N 445.878 4.832 30 10 IJEE Cc1ccc([C@H](C)CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 441979133 PUTHZZIZAVGZPS-QGZVFWFLSA-N 431.467 4.657 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCc2ccnc(O)c2C1 460774443 NPJQVHFRNOBXBL-UHFFFAOYSA-N 433.556 4.528 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCC3=O)cc2)cc1OCC 466411549 CGEOWQSVKKZAPN-UHFFFAOYSA-N 431.330 4.761 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@H](CCOC)C2)nnc1-c1ccc(Cl)cc1 466850629 AAFOYPZLJOOENQ-QGZVFWFLSA-N 449.020 4.542 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccccc1 468115159 LJMWRLVEGSNPKD-INIZCTEOSA-N 430.537 4.641 30 10 IJEE COc1ccc(COc2cccc(F)c2)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 502981802 HXHYCWRUCAYSNF-XMMPIXPASA-N 442.487 4.613 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 508359613 HKJZYXAGLQZKKT-DJHAQQLZSA-N 433.955 4.613 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N(C)Cc1nc2c(s1)CCCC2 508789374 GWKASDWRQGGZTO-UHFFFAOYSA-N 441.626 4.737 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 508896880 VDISHUFDXHSDEG-UHFFFAOYSA-N 435.616 4.510 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc(Cl)c1OC 526491011 JIRLEDJVLALUGO-NRFANRHFSA-N 447.878 4.681 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)[C@H]1C[C@@H](NC(=O)CCCc2ccc(C)cc2)CCN1 585838434 GYXGYYYSDPNNRU-NJZPMAKVSA-N 448.607 4.626 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3cccc(OCC)c3)C2)c1 586040361 OHXZXFROXYFXCB-QHCPKHFHSA-N 449.595 4.958 30 10 IJEE C=CCOc1c(Br)cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)O)cc1OCC 609337094 WBDJSWKKWAIZJE-WAYWQWQTSA-N 449.257 4.584 30 10 IJEE C=CCC1([C@@H](NCC)c2c(Br)cnn2CCC)CN(C(=O)OC(C)(C)C)C1 722921380 XGWFKTQYKXUGTC-KRWDZBQOSA-N 441.414 4.519 30 10 IJEE C=CCC1([C@@H](Cc2cc(Br)cs2)NCC)CN(C(=O)OC(C)(C)C)C1 722942449 TXSKTDGQJDJYQE-MRXNPFEDSA-N 429.424 4.844 30 10 IJEE COc1cc(Br)c(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)cc1O 777467300 JNYVCDUHGXBSLY-WTKPLQERSA-N 428.204 4.790 30 10 IJEE COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)cc1 778298030 OGWYYTMPMWRIDJ-HXUWFJFHSA-N 427.485 4.933 30 10 IJEE C=C(C)CNC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1cc(O)cc(Cl)c1 783692412 DYMACKHCRCRUCR-UHFFFAOYSA-O 429.871 4.729 30 10 IJEE C=C(C)[C@H](CC(=O)NCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O)OCC 1124350878 USSXZPSQYOVRSJ-XPFMCRKWSA-N 444.597 4.508 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1128545869 AHKVPKLKHCEBOV-UHFFFAOYSA-N 449.860 4.758 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1 1129821368 IEKZMSOOYFIFCB-QHCPKHFHSA-N 431.536 4.539 30 10 IJEE C=CCN(C(=O)c1csc(I)c1Br)C(C)(C)C 1131324582 MAJHHOCNXGDOTB-UHFFFAOYSA-N 428.133 4.542 30 10 IJEE CCN(CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 1142366130 ADJOGNSLCKKTGC-IIBYNOLFSA-N 433.474 4.544 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C 1145063203 FPHQPSGMKNUSHQ-SJLPKXTDSA-N 442.959 4.771 30 10 IJEE C=CCNc1ncc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)s1 1148372834 YLCMXLGJADPHQB-FQEVSTJZSA-N 441.940 4.685 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 1153823015 RTSXOXLOFQFWDH-UHFFFAOYSA-N 444.381 4.661 30 10 IJEE C#C[C@@H](NC(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1156084295 LMJZPKISHNDMOZ-XMMPIXPASA-N 432.564 4.858 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 1159777303 CHAMENNZNDYTJR-FQEVSTJZSA-N 434.367 4.865 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1166518093 KFDWXXZWRGEEDW-FDDCHVKYSA-N 442.581 4.751 30 10 IJEE CC(C)N(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(Br)c1C#N 1185522822 COMWCIRBZGJCJX-UHFFFAOYSA-N 427.751 4.573 30 10 IJEE C=CCn1c(SCc2ccn(CCc3ccccc3)n2)nc2cc(Cl)ccc2c1=O 1187994904 MGMUIGAAKGWQPE-UHFFFAOYSA-N 436.968 4.967 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)n(C2CCCCC2)c1C 1195054657 HINSFQRQFXSYDD-LEWJYISDSA-N 428.621 4.992 30 10 IJEE COC1(C(F)(F)F)CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 1198346481 AERXJSSNLZZIFW-UHFFFAOYSA-N 447.457 4.907 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)cc1 1215273404 IUOZCBMGQPONMN-FQEVSTJZSA-N 427.342 4.994 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 1216814621 JLYJFTJYPWVBNC-IBGZPJMESA-N 425.916 4.847 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)(C)C 1222359764 XUJBETMTQCVSKO-IRLDBZIGSA-N 441.666 4.917 30 10 IJEE C#CCOc1cccc(NC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)c1 1265134823 KLLUCROGJFPBPP-UHFFFAOYSA-N 434.536 4.904 30 10 IJEE C=CCOCC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1265419496 GNYRYNPHHZGXJK-GOSISDBHSA-N 426.713 4.844 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCc1sccc1C 1286434446 ZLYIQDPHCBTRGY-UHFFFAOYSA-N 438.984 4.586 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)CCC 1286453477 UUKHVEXQDUDFPN-JPYJTQIMSA-N 432.996 4.699 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1286623591 URTNELDIFQQVKT-KSSFIOAISA-N 445.932 4.634 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N(C)c2ccccc2)CC1 1286656768 VMOQFAJHTIZLMM-SFHVURJKSA-N 436.991 4.921 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCC[C@H]2C)CC1 1286657290 WFGATXIYDJSBAB-IRLDBZIGSA-N 437.632 4.922 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1286662052 UNFPBNGONJXPCI-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1286686847 DAPZSPQXIBXUNU-LJQANCHMSA-N 431.575 4.994 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H](C)N1CCCCC1 1286719243 ZALWIYGHKVEYEC-OAHLLOKOSA-N 438.439 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ncc(CC)s1 1286749642 BVWHBDIQCXDBCQ-UHFFFAOYSA-N 436.610 4.585 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](CC)N1CCCC1 1286753435 CJRGCDHBNJJQKA-HXUWFJFHSA-N 444.421 4.760 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2csc(-c3ccccc3)n2)C1 1286799899 BOIXEQHBZVTMFH-RXVVDRJESA-N 437.613 4.939 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2Cc2cc(Cl)ccc2OC(F)F)C1 1286809014 OZLVPEPVTISCKM-KRWDZBQOSA-N 438.906 4.630 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@](C)(OC)C1 1286834551 GMTYACSJVLEHOZ-JOCHJYFZSA-N 432.659 4.803 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(-c3ccsc3)c2)ccc1F 1288523023 DWFDCVXEJKLZKW-UHFFFAOYSA-N 430.526 4.579 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)CN[C@H](c3ccccc3)C(F)(F)F)cc2)nc1 1292265724 FLXBVYXNOMAAMY-OAQYLSRUSA-N 426.398 4.577 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)CN(C(=O)OC(C)(C)C)C1 1293637906 MAEGCTLOWKPJBN-UHFFFAOYSA-N 439.512 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1C 1300280343 BMKZZHPUNWMCLW-OAHLLOKOSA-N 429.387 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1300330436 YYHWSGOGXBFOIE-DKAJDXDZSA-N 436.600 4.587 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1300422377 LTFFDHRMMDJAMR-JOCHJYFZSA-N 434.540 4.660 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C/C=C\c1ccccc1 1300611607 IPFRJOCDPCOGHA-FLIBITNWSA-N 427.371 4.942 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1300634120 UYPPHUSTZUVWDU-FGZHOGPDSA-N 446.643 4.568 30 10 IJEE COc1cc(-c2cc(C(=O)N3CCC[C@H](CC#N)C3)c3ccccc3n2)cc(OC)c1OC 1300688520 CLERGEGDJUYTGZ-QGZVFWFLSA-N 445.519 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C)CC1 1300889896 RZHCQZJVRNLLBI-STSQHVNTSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C(F)(F)C12CCC2 1300924940 KQWNODSAIWSQGF-LJQANCHMSA-N 427.499 4.567 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(F)cc1 1300950651 LAUVSEWXOZMDNY-IBGZPJMESA-N 443.567 4.744 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@](C)(O)[C@H](C)CC)CC1 1301135000 QMWGQEZXXHHURU-CLOONOSVSA-N 426.605 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cccc(Cl)c2)nnc1[C@@]1(OCC)CCOC1 1301159324 YPAPERVQKYEALN-HSZRJFAPSA-N 432.996 4.822 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1301216836 STVIKSJRPRAULM-RTBURBONSA-N 434.588 4.514 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN1CC)C1CC1 1301314370 VABPHZXLACEIRI-XLIONFOSSA-N 429.996 4.711 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC[C@@H](F)C1)C1CC1 1301331029 BZNLZODTSJTIDB-DOTOQJQBSA-N 449.368 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H](C)c1c(C)noc1C 1301365773 YJMJDIVPUAMQNA-KRWDZBQOSA-N 448.596 4.927 30 10 IJEE C=CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1301449860 FERFAYUPOSAQLK-GOSISDBHSA-N 430.325 4.744 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC(F)(F)F)CC1CC1 1301474333 ZXJSDYILUJMBGO-INIZCTEOSA-N 443.514 4.705 30 10 IJEE C#CCC1(N[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CCC1 1308101449 QGSXWEFHWCODDI-OAQYLSRUSA-N 446.532 4.934 30 10 IJEE C=C(C)CN1CCC(NC(=O)NCC2(c3ccc(Br)cc3)CCCC2)CC1 1311891249 JOGUTKGWLGBLFM-UHFFFAOYSA-N 434.422 4.601 30 10 IJEE C=CCCC1(CNC(=O)N2CCn3c(Cc4ccccc4Cl)nnc3C2)CCCC1 1313003846 GOTQCEXAXUUEST-UHFFFAOYSA-N 427.980 4.574 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@H]2CC)cc1OC 1314163552 CCGUOQIBPOEHFC-GGPKGHCWSA-N 425.577 4.917 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1352302088 BNWIJLQYRGROQS-FQEVSTJZSA-N 434.879 4.518 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(C)ccc1Br 1352320478 WXGQAISFVLSARB-UHFFFAOYSA-N 442.126 4.883 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)cc1 1356332083 WLEYVQJGYQNBED-UHFFFAOYSA-N 444.510 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1358878961 IQBRLQXYJOJEPB-MIZPHKNDSA-N 431.584 4.605 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1cccs1 1358879861 ZMTNKPAXHYYLQE-SFHVURJKSA-N 432.549 4.879 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1358907149 FDMIEDSAJPHPKV-IBGZPJMESA-N 426.008 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(CC)CCC 1359063871 GMGKBRJCFQFLQH-ATIYNZHBSA-N 437.632 4.759 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CCC(C)C 1359092406 APENSJPSFJPLHK-XZOQPEGZSA-N 432.572 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@@H](CC)C1 1359095440 OEFIEQXHCVENNA-ZWOKBUDYSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(Br)cc1 1359099867 UJJRIYUPRNKTBT-RXVVDRJESA-N 447.421 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOC(C)(C)C 1359112326 GXDHXZSWZHQPFA-IBGZPJMESA-N 449.640 4.610 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H]1c1ccco1 1359156270 AESOCAQIQRECGV-KRWDZBQOSA-N 428.920 4.943 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1Br 1359203435 PDTDSWIWUQWHNK-SFHVURJKSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CNC(C)=O)CC1 1359210095 JLTGLVJMRBYMRQ-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC(F)(F)F 1359235764 MSDRZUQIRLSUEI-UHFFFAOYSA-N 433.272 4.681 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1359246627 HAEBXWQCQYAZCS-WBVHZDCISA-N 431.378 4.535 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H]1CCOC1 1359337815 BLHFNHFTZQMVNR-KRWDZBQOSA-N 432.659 4.667 30 10 IJEE C=CC1(CC(=O)Nc2cc(C(=O)OCC)ccc2I)CCCCC1 1438602068 RCWJSTNNHKVGGI-UHFFFAOYSA-N 441.309 4.933 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)CCCCC1 1449612903 VRLYOPAQARMTJF-UHFFFAOYSA-N 442.581 4.813 30 10 IJEE COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 1461590569 AWGHELNFNFUGJC-DOTOQJQBSA-N 447.457 4.513 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](c2ccccc2)C1 1465061421 HUSSWRCQOJUQAM-AZUAARDMSA-N 440.931 4.736 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472907266 ADUZUDPBILUSRK-LIRRHRJNSA-N 440.590 4.775 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 1473140822 KAZUMGZONAGIFX-LBPRGKRZSA-N 427.264 4.882 30 10 IJEE N#Cc1ccc(Br)c(CNC[C@H]2CCN(c3cccc(Br)c3)C2)c1 1473953627 BXSMJOFIQPHATD-OAHLLOKOSA-N 449.190 4.699 30 10 IJEE Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1Br 1475243526 CFHZEIRKTFZCOA-QGZVFWFLSA-N 439.762 4.808 30 10 IJEE CCCc1c(NC(=O)Nc2ccc3oc(OCC)nc3c2)cnn1-c1cccc(C#N)c1 1477108451 FCACFVCYLXYBHR-UHFFFAOYSA-N 430.468 4.880 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1CCC[C@@H](C)C1 1493689149 HGUZANVMHWSEMZ-RTWAWAEBSA-N 447.631 4.530 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCc2sccc2C1)C(C)C 1502188747 CYWLAUMAYJXFJY-UHFFFAOYSA-N 434.613 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCC1 1507519136 YDBJJEFYPQYFNQ-VQTJNVASSA-N 444.023 4.632 30 10 IJEE C=C(Br)Cn1c(C2CC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1507781514 AWDLMJZYLTYSRB-RTBURBONSA-N 431.378 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)CCC 1507797572 SDNHNKDAIDEHLN-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccc(Br)cc1 1507829737 DPEKGQRGBQTVKY-UHFFFAOYSA-N 426.362 4.666 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1507991169 SHUPCNPIHADTBT-BGYRXZFFSA-N 437.632 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)c(OC)c1 1508009163 XVSAKTIWANYLSU-QGZVFWFLSA-N 444.988 4.746 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508106479 UMTKXFFGTNHMQU-AREMUKBSSA-N 447.583 4.595 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C)CCC2)C1 1508114983 DAMQRUNLRCFIRF-SFHVURJKSA-N 431.378 4.679 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCCC2)CC1 1514235257 FYJJDNJPYOHJSS-UHFFFAOYSA-N 448.615 4.672 30 10 IJEE C=CC[C@H](OC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 1519083129 YGUBSRJYXGXRHO-IBGZPJMESA-N 440.348 4.790 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(Oc3cc(C)ccn3)CC2)s1 1519838755 HATZFTLPSKQVCV-UHFFFAOYSA-N 438.018 4.612 30 10 IJEE C=CCC1(NC(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)CCCCC1 1521566888 LYHHNOLXFYCODC-UHFFFAOYSA-N 433.936 4.735 30 10 IJEE C=CCN(C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1525330796 LHKUDCTYXRUHMJ-JFIYKMOQSA-N 432.611 4.805 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)[C@H]1n1cccn1 1525925662 DWDPBQUOIUGPNZ-MIZPHKNDSA-N 446.576 4.833 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 1527269740 CDUHJOAJVIGNRQ-UHFFFAOYSA-N 440.425 4.912 30 10 IJEE C#C[C@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(F)cc1 1528047732 OPGMZDLIOQHIBM-IBGZPJMESA-N 428.257 4.865 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 1530714303 SSPINPZYSXULCM-YKRMCXMESA-N 434.561 4.780 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1539117163 QPZXYRPZVDDDLD-UHFFFAOYSA-N 436.991 4.943 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCC1CCC(OC)CC1 1539390911 YIVHCQPHEBFMTD-UHFFFAOYSA-N 447.558 4.714 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1539497626 NFJRCRQIAKTSAI-PMACEKPBSA-N 445.032 4.749 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(F)cc(C)c2C1 1539735316 IQIJYNHEKQPGKF-UHFFFAOYSA-N 441.938 4.596 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC=C(C(C)(C)C)CC1 1539735599 LEWRMASVARRZGM-UHFFFAOYSA-N 440.588 4.738 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1539735765 PCEHFAZOXLRVHG-NRFANRHFSA-N 448.596 4.558 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1539859484 RAGISORJSFXWRN-WMZHIEFXSA-N 440.613 4.717 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1540048015 OVXDXSHHXCMFNI-AXHZCLLHSA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(F)cn1 1540139833 GFCMSCUQQVBXKF-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)[C@H]2C[C@@H](OCC)C2(C)C)cc1 1540878205 RFQAOOCVUTUDSQ-XZOQPEGZSA-N 447.583 4.593 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCOc2ccc(F)c(Cl)c2)C1 1540892699 QIZVIFGBZLXCLU-QGZVFWFLSA-N 436.959 4.520 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C 1541410645 HROQYVWDVZQPNR-REWPJTCUSA-N 439.604 4.662 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 1543839857 DUDSXFZJSAWOLK-UHFFFAOYSA-N 443.523 4.958 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1543959722 CWVQYFMWKFHWKP-UHFFFAOYSA-N 429.311 4.579 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(-n2ccnc2)cc1 1546226302 LDRUMTYPTJPHJD-UHFFFAOYSA-N 428.305 4.531 30 10 IJEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1555448617 AGGVEVSPQZIIKT-URXFXBBRSA-N 444.583 4.514 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Br)cc1C 1559346880 DJLKQYJSYOGERM-UHFFFAOYSA-N 435.435 4.856 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 1566621352 OYECSINDPGWIDE-FQEVSTJZSA-N 426.563 4.986 30 10 IJEE C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C(F)(F)F)no1 1585330934 DRQDBDONDOSSNW-JTQLQIEISA-N 436.777 4.897 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1587383515 ZPUHKYQLGUAYCB-UHFFFAOYSA-N 429.476 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](COCc2ccccc2)C1 1589496606 YRAPDWSVCKNBDE-XGAJZPNHSA-N 438.616 4.816 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CCOC)C1 1593712025 PIVZIOYORJHMDP-FQEVSTJZSA-N 426.605 4.698 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)Cc1cnn(C)c1 1593840276 DXYMXOKURICVCD-UHFFFAOYSA-N 449.784 4.529 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2c(CC)nn(C)c2OC)CC1 1594195025 ZAQQUINLCLSIQV-OAQYLSRUSA-N 448.615 4.575 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1594202181 GUCCXCRUTCCULI-JOCHJYFZSA-N 437.632 4.724 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CC2)CC1 1594237292 PXFYOJYENSQWQL-UHFFFAOYSA-N 429.609 4.595 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC2(CCCCC2)O1 1594553130 XEBCZIQMBHHYJF-NRFANRHFSA-N 443.636 4.579 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1594627436 VDCUFPSBZUXXBR-OALUTQOASA-N 433.641 4.963 30 10 IJEE C=CCCCCn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1C1(c2ccccc2)CCC1 1594662045 ZUANCTWZCRNCGJ-QFIPXVFZSA-N 435.616 4.599 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@@](C)(CC)O1 1594895163 GFHSTLNJLMQNQA-HRAATJIYSA-N 449.393 4.686 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1C2CCC1(C)CC2)C(C)C 1595165953 NWMDHTJNPZRBRF-JEPVQIMHSA-N 434.632 4.868 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCN1CC 1595185426 YQPAKOJDSLVPMX-HXUWFJFHSA-N 444.421 4.760 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCCC[C@@H](SC)C2)cc1 1595613893 KHNNLKHDGHQPSH-JOCHJYFZSA-N 449.624 4.984 30 10 IJEE C#Cc1cccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)c1 1597402779 KAERUFBLECSFDV-UHFFFAOYSA-N 434.421 4.593 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Br)ccc1O 1611098857 FRRCBCDQOMFEGP-UHFFFAOYSA-N 443.110 4.885 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](c4cccc(C(F)(F)F)c4)C3)n[nH]2)c1C 1611527290 FJUKQJZRDOLSIX-KRWDZBQOSA-N 443.473 4.725 30 10 IJEE CC(=O)[C@](C#N)(CCSc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccccc1 1613385813 CSWIYIOGNHXOHE-RUZDIDTESA-N 445.592 4.790 30 10 IJEE CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1613737079 AXDDUNHRSSDOTN-JOCHJYFZSA-N 427.980 4.935 30 10 IJEE C=CC#C[C@@]1(O)c2c(OC)cc(OC)cc2O[C@@]1(Cc1ccccc1)c1ccc(OC)cc1 1615946065 APVVLJFCFCAUDP-IZLXSDGUSA-N 442.511 4.620 30 10 IJEE C#CCC1(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)CCCCC1 1617520590 MFYMYMZQTHJMEF-UHFFFAOYSA-N 426.586 4.978 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Br)c(C)c3F)n[nH]2)c1C 1618494735 LOSCTZDOBYYGRC-UHFFFAOYSA-N 432.297 4.538 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C)(C)C1 1618656597 YNSRCKJWDUOSLO-JOCHJYFZSA-N 438.955 4.905 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOC1CCC1 1620739930 KJGSUPUYSOAFCT-RUZDIDTESA-N 448.563 4.545 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)c3cc(Br)ccc32)cc1Cl 1622102010 APWZEXJTWIHFNG-UHFFFAOYSA-N 437.746 4.605 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1624919121 XAXWKQSZFMDSSW-HSZRJFAPSA-N 447.535 4.577 30 10 IJEE C#CC1(NC(=O)NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CCCC1 1629421370 UXAGCJCYADABAC-OAQYLSRUSA-N 445.563 4.952 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)n[nH]2)c1C 1631296535 ZFBQIPNATYOJBI-OAQYLSRUSA-N 425.483 4.722 30 10 IJEE C[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CN1Cc1ccccc1 1631343580 FHUUFKWGMWHFNE-NLFFAJNJSA-N 425.532 4.530 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)CNc1ccc(C#N)cc1 1631522284 HXYOQHXHMPKBFS-OAQYLSRUSA-N 430.474 4.506 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1)c1ccccc1 1633416992 IMXFRJSMQQWNHP-QFIPXVFZSA-N 445.604 4.799 30 10 IJEE CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 1636178958 BSSLQVYWYAZDRB-JOCHJYFZSA-N 442.966 4.793 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H]1CCCN(C(=O)C(C)(C)C)C1 1641019096 KDEMFBSLBMQFNW-LJQANCHMSA-N 442.629 4.728 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1641147798 QAHWOQDDLSURRG-CZAAIQMYSA-N 448.460 4.549 30 10 IJEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccc(F)cc1 1644485582 PUMDTJVIYLZEIE-UHFFFAOYSA-N 432.339 4.937 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2ccccc2COC(C)C)Cc2ccccc2)c1 1644928482 ZWXDQTTXRGMRQK-UHFFFAOYSA-N 426.560 4.916 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 1645386222 HZUYOAPBNMASRR-HXUWFJFHSA-N 429.442 4.562 30 10 IJEE C#CCC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC=C)CCC1 1646202999 BGDVQOAMJHNWDB-UHFFFAOYSA-N 435.380 4.592 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2 1649428587 WOORHHHJVNMRPE-VWLOTQADSA-N 428.580 4.558 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCC(C)CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652349319 UTKSXZWXZKOINM-CVEARBPZSA-N 445.654 4.508 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)C[C@@H]2c2cccnc2)n(-c2cccc(F)c2)c1C 1653379549 DNMDZOGYGOUQAF-WAIKUNEKSA-N 431.515 4.522 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OCC)c2ccccc12)c1ccc(Br)cc1 1655458788 HDSSZDNREHHTDN-LJQANCHMSA-N 444.350 4.654 30 10 IJEE C=CCOc1c(Br)cc(CNCC(C)(C)c2ccc3c(c2)OCO3)cc1OC 1656233525 RDSWMHXBJMOLLV-UHFFFAOYSA-N 448.357 4.819 30 10 IJEE N#Cc1ccc(F)c(CS(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 1660953746 AFSISXVKBPXRAU-JOCHJYFZSA-N 428.916 4.754 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)cc21 1664929639 REHYUYZFWOYQPM-HXUWFJFHSA-N 443.473 4.637 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)c1ccccc1 1669436876 LSGVWSPKKIUCFZ-NRFANRHFSA-N 434.517 4.769 30 10 IJEE Cc1nc(-c2ccccc2NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cs1 1670994435 ATFRPTZGAFJNMJ-UHFFFAOYSA-N 437.956 4.998 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1CCCO1 1671891046 CIOBEDHHHUDFMH-SJORKVTESA-N 449.498 4.932 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCCC1 1673772513 AQRJBEPDBSDHCX-UHFFFAOYSA-N 434.587 4.592 30 10 IJEE C=CCc1cc(CNC(=O)N(Cc2ccncc2)Cc2cccs2)cc(OC)c1OC 1676274551 CHMCQJDXUZATEK-UHFFFAOYSA-N 437.565 4.801 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21)C1CCN(C(=O)OC(C)(C)C)CC1 1676373233 XWUNXZDGFUTDIF-HXUWFJFHSA-N 443.588 4.646 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1ccc(C(F)(F)F)cc1 1680633029 JGLFHOQHAUGZBU-CCMRYFRJSA-N 426.479 4.739 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)c(F)c1 1681783319 IQHLUSCYAQKSTJ-XXBNENTESA-N 434.490 4.896 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1689876942 MYNJMMIAVQUACQ-HXUWFJFHSA-N 445.405 4.762 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1689892914 PSZIINCVLJVPIL-UHFFFAOYSA-N 445.652 4.754 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1 1690158058 WGOLMWDBUCOHQS-SFHVURJKSA-N 430.593 4.940 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1690179059 KWXFSHQBWGHFHW-OAHLLOKOSA-N 432.565 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN(CC(C)C)C1 1690212634 PKJHIAZVJYCMBY-WNCULLNHSA-N 449.643 4.526 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccccc1OC 1690225584 DQHOUOPPBIIKMN-GOSISDBHSA-N 440.345 4.599 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1690368524 BGKZELISRJMOPL-FQEVSTJZSA-N 440.954 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1690422624 UUPVZPQAEUQZHA-FQEVSTJZSA-N 432.616 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690436184 MPEWTGWYXRCNDR-HSZRJFAPSA-N 448.615 4.749 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1690467149 MRWJVOIMESKSAL-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(F)(F)Br)C1CC1 1690549783 JNRUAHOFWFVWPR-UHFFFAOYSA-N 441.320 4.616 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCO[C@@H]1C(=C)C 1690592818 JETOMAOWSIRBFG-NFBKMPQASA-N 431.540 4.760 30 10 IJEE CCOc1ccc(CCn2c(CC(C)C)nnc2N2CCC[C@](C)(C#N)C2)cc1OCC 1696123051 ACNHXMKFFOEYJS-RUZDIDTESA-N 439.604 4.647 30 10 IJEE C#CCSCCn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@H]1CCCCO1 1705665028 IICBTDOTFZJIGW-AHRSYUTCSA-N 449.020 4.728 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1(OCC)CCCC1 1705678186 QRUNBMGCTFPEEF-RUZDIDTESA-N 436.600 4.761 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(c2cnn(C)c2)CC1 1705730574 LIVDDMAZJCZCOF-DEOSSOPVSA-N 448.615 4.530 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](COC)C1 1705803650 YBJLCYXZHOPIQI-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1705887780 BYVOWBDUUCXESZ-UHFFFAOYSA-N 449.958 4.665 30 10 IJEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C[C@H](C)O1 1709327661 FXRUCAUHTIMRLO-JXFKEZNVSA-N 429.515 4.646 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(C#N)C1 1710624708 HVKSJVTXXIVFLR-HSZRJFAPSA-N 445.995 4.800 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C(C)C)C1 1722323894 ITUWDAXMOFAQET-CTNGQTDRSA-N 445.007 4.963 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722327941 VBJXSNQRVCBQCI-HXUWFJFHSA-N 440.897 4.542 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccon1 1722479444 FQPUSHCYTXTFSD-UHFFFAOYSA-N 448.390 4.809 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1722479710 HYJVEFATGUWUMO-CJNGLKHVSA-N 439.304 4.834 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCCSC 1722480473 PZSUGZQUHPAVBR-UHFFFAOYSA-N 433.778 4.836 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc(F)cc1F)C1CC1 1722508983 NBHFCVXHGYJBMG-JPYJTQIMSA-N 430.543 4.905 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722598121 XTBYLSSJESAJKW-QZTJIDSGSA-N 433.547 4.822 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1722614309 JCGCDGGTVRFXOD-WOJBJXKFSA-N 448.615 4.914 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1)N1CCCC1 1727240714 DOAFTUIVLPUQOU-NRFANRHFSA-N 426.996 4.603 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC[C@H]3c3cccs3)n2CC(F)(F)F)cc1 1731181384 AZSHWVGDNMXBMI-INIZCTEOSA-N 433.459 4.694 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCSC(CC)(CC)C1 1740595177 OPJOJCITGWIMQM-UHFFFAOYSA-N 426.630 4.999 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCN(C)C1CCCCC1 1740652866 PWEQOZAHYPCFNE-UHFFFAOYSA-N 442.611 4.544 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(Cl)c1 1740727714 WDQGTJIDDZTBRT-HXUWFJFHSA-N 444.764 4.730 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)Cc1cnn(C)c1 1740804473 AMPZUAXMVWVYPG-UHFFFAOYSA-N 442.951 4.935 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCSC2(C)C)CC1 1740834968 FNGFMXVAWQUFFO-SFHVURJKSA-N 427.574 4.787 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccncc2Cl)CC1 1740841671 VWFJHICNYBYBCF-UHFFFAOYSA-N 437.975 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740844978 ZQBIMFUZWHHSOU-WOJBJXKFSA-N 430.980 4.585 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1740855131 LRFIHLROURDFES-WPFOTENUSA-N 444.627 4.543 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC1CCCCC1)c1ccccc1 1740856156 QSIYETRYZCUHOC-HSZRJFAPSA-N 435.616 4.777 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740878017 OPZLXPDJVAJPCM-UHFFFAOYSA-N 449.624 4.558 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1Cc1ccsc1 1740914761 YEFFVFLIBSAACN-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1740945556 YPKNWJFPLASXAV-ZWKOTPCHSA-N 431.378 4.678 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)C2(CCC2)C1 1740956323 JYBKMXFBAGNWDZ-HNNXBMFYSA-N 448.398 4.571 30 10 IJEE C[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccc(C#N)cc1)N(C)C 1741832219 CTFMEFGMVVNSPF-SFHVURJKSA-N 448.640 4.734 30 10 IJEE CCC(CC)(Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1)SC 1743978374 CCXIZDHVLODTKN-SFHVURJKSA-N 445.658 4.529 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@H](C)C2)cn1 1746089153 GJBGWAWMJBSLFG-VQTJNVASSA-N 443.599 4.589 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1748697863 AHGXZWNITLKLND-GGAORHGYSA-N 446.599 4.913 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1748701666 NPZZERULGRGTLJ-JTHBVZDNSA-N 430.600 4.871 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(C)(C)C)C1 1748710679 XLTHAKWAUGBRKO-QFIPXVFZSA-N 433.556 4.655 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1749207211 FTALJOFHODCPGH-OAQYLSRUSA-N 449.643 4.703 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC(C)(C)C1)c1ccccc1 1749383699 DSESKISBRXMARC-VABKMULXSA-N 438.616 4.988 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1c(C)noc1C 1760133082 VILQGPDPGUDUDD-UHFFFAOYSA-N 448.390 4.814 30 10 IJEE C#CCCCCn1c(COc2ccccc2OCC)nnc1N1CCc2sccc2C1 1760143235 ZRBSYJIBPDMOQZ-UHFFFAOYSA-N 436.581 4.684 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCc1nccs1 1760147879 ZTVSCYBFKRUYMN-INIZCTEOSA-N 425.627 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CC)C1 1760320992 ADVHBFQYZNUABJ-IXFSTUDKSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1cccc(NC(=O)CC(C)C)c1 1760332567 GSYQDWVSSCLQSF-UHFFFAOYSA-N 432.572 4.775 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760422516 JBNFDDFGNQDAHT-GOSISDBHSA-N 435.538 4.937 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1760426729 BWTLWVNMTLJPHG-VWLOTQADSA-N 449.574 4.709 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1760428072 OJVHTHWWDKOYSW-WOJBJXKFSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760436988 NOKZAWPKCGXOBH-UHFFFAOYSA-N 433.556 4.671 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccccc1Cl 1760454446 JWXVXIDITQYFNG-UHFFFAOYSA-N 434.769 4.564 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](c1ccco1)N(C)C 1760457601 YVAVTXIGTSNDKG-FUHWJXTLSA-N 425.602 4.650 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(N(C)C)CCCC1)C1CC1 1760476592 ZMJJMGNRGWVLPG-UHFFFAOYSA-N 429.996 4.540 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1760564835 IRVJYFBCGBWVBU-JOCHJYFZSA-N 425.646 4.566 30 10 IJEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1761427387 HZFQOXWKZDVZMR-SFTDATJTSA-N 434.632 4.954 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)C[C@H](C)O1 1765307469 HXQONEJZORTQHN-PZJWPPBQSA-N 437.588 4.559 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@H](F)C1 1771100746 ACGBZMIFBOJDRV-FPOVZHCZSA-N 437.519 4.509 30 10 IJEE COc1ccccc1C=NN=C1S/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1 1772757947 VTFAZDMGOIIVJO-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE CCOc1cc(/C=C2/SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)ccc1O 1772758508 XLRMRLOXSHCZMZ-HWVQBVCISA-N 447.516 4.891 30 10 IJEE CC(C)(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C#N)cc1 1858835915 VSGHKXDYEIJNMA-UHFFFAOYSA-N 443.507 4.912 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc(F)c([N+](=O)[O-])c3)cc(C)c2c1 1859490565 VTTOGFHFBWIZPB-UHFFFAOYSA-N 444.426 4.517 30 10 IJEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 1860160159 YDZDWPOBJIJVSH-QGZVFWFLSA-N 429.476 4.615 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)Cc4ccccc4F)CC3)cc2)c1 1860707139 ZCNFUXPJHZOZOH-UHFFFAOYSA-N 442.490 4.865 30 10 IJEE C=CCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1861547087 KLCYIGICIGIFGY-IGVGMEOHSA-N 440.971 4.909 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccccc1CC 1861798236 GYAKRWKIIGMYNM-XMMPIXPASA-N 438.612 4.832 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccccc2Br)ccc1F 1862510278 ZWAASTHRTULLPW-GOSISDBHSA-N 430.273 4.637 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2c(F)cccc2Cl)c1 1862561827 UXMHHGKNQJBGPL-LJQANCHMSA-N 442.899 4.901 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1c(Cl)cccc1Cl 1862562716 MFANFHPNDVZKDH-IBGZPJMESA-N 449.334 4.581 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862619768 BYVRXOIVHSEWNG-RBZFPXEDSA-N 445.918 4.736 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Br)cc1 1862709669 AVTJEKSKEDUHNO-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(O)c1 1862717870 NMLZUBQRIBDOCE-NPMXOYFQSA-N 431.488 4.931 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(F)cccc1Cl 1862737536 IKVFLXUFCIQEPA-GOSISDBHSA-N 432.835 4.622 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(C)ccc2C)C1=O 1863019413 CAPODURQJLDODI-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE C=CCN1C(=O)C(NCc2cccc(C(F)(F)F)c2)=C(c2cccc3ccccc23)C1=O 1863583254 RYKIWEMHRYGMLB-UHFFFAOYSA-N 436.433 4.914 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866744546 JXMNNZGNKKRICS-GOTSBHOMSA-N 437.609 4.873 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868266717 AHHVFPRENBOAIO-NRFANRHFSA-N 449.942 4.512 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1-c1ccc(Cl)cc1C 1870154573 YRRNJVDHASSHDT-UHFFFAOYSA-N 436.686 4.669 30 10 IJEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc3c(c2)OCO3)cc1=O 1870838200 SXARIMZABKNEKK-UHFFFAOYSA-N 444.572 4.701 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccc(Cl)cc1C 1871195297 JMTBPMKEWVOSOB-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 1871345715 IQOGRBAKTZIEQZ-FMCGGJTJSA-N 445.446 4.581 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1O/C(=C\c1ccncc1)C2=O 1871373840 HLVIIFPVGHGEEL-GRSHGNNSSA-N 436.807 4.787 30 10 IJEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1cccc(OC(=O)c2ccco2)c1 1871392098 PEKLHZNPTPDOBW-XKZIYDEJSA-N 442.379 4.927 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1872090555 RCBJNULJQXXCFH-XMMPIXPASA-N 434.561 4.806 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872149077 AHRZFGLZPJTTFH-LAUBAEHRSA-N 434.989 4.960 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1872278106 IMGAKIIOUKCFDW-XMMPIXPASA-N 442.625 4.858 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(OC)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872332126 MTQCVCOWLYOYAL-SBUREZEXSA-N 444.597 4.542 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1C 1872782106 DKIWWDMPQSKRFA-FQEVSTJZSA-N 443.528 4.921 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873137436 GKLGLSLTRISRRF-UHFFFAOYSA-N 443.607 4.730 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276381 DUKNTTKLCDKAHD-UHFFFAOYSA-N 437.499 4.690 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874201692 OXWFHILPSDVQQW-YDZHTSKRSA-N 439.541 4.975 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2/N=C/c2cn(C)c3ccccc23)cc1C 1874332098 UZIUPTSALQHDCT-WGOQTCKBSA-N 447.608 4.529 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc[nH]1 1874394544 PCHPWGZSFOWYLJ-HEOQCTJZSA-N 448.527 4.510 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1 1874459517 RBJOWLLQTIYYJS-BHGWPJFGSA-N 434.443 4.566 30 10 IJEE COCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874472400 CVDHQRFYYAHWQJ-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccccc1F 1874480568 CJKJKQNDWOMDHU-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1ccccc1Cl)Nc1ccccc1F 1874517364 ZMLUYXMWUIKQDT-FOKLQQMPSA-N 429.908 4.561 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1874624317 XHLGFYSZAQIXFU-NTEUORMPSA-N 439.552 4.971 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3ccc(OCC)cc3)n21 1875074912 PIUBLJPMQWYKCO-SFHVURJKSA-N 446.617 4.965 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)c1cnccn1 1875154229 URQYHGFJHRGLHD-ZHACJKMWSA-N 440.455 4.762 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)CCOC 1875166975 XHDUNYWIMZTAIV-PKNBQFBNSA-N 438.520 4.887 30 10 IJEE C=CCCNc1cc(Br)c(I)c(Br)c1 1931650347 LWIMRAQCDGKPAC-UHFFFAOYSA-N 430.909 4.804 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1949113688 ZWDKTKDCBHXRJZ-STSQHVNTSA-N 431.508 4.859 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 2037376895 XTQCFMIRJALIPS-QUCCMNQESA-N 445.560 4.512 30 10 IJEE CCc1nn([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(I)c1/C=N/O 2079007687 XKJJHXZDTKWLOX-NIQDBXHUSA-N 435.309 4.735 30 10 IJEE CSc1ccc([C@H](C2CCC2)n2nc(C)c(C=NO)c2I)cc1 2080102531 VFANJFXQYLDDEO-INIZCTEOSA-N 441.338 4.716 30 10 IJEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 2118191400 FBDGHJWFASPRRF-CHWSQXEVSA-N 426.330 4.589 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)c(F)c1 2142176271 YQUMOFMVUYEZQF-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(C[C@H](O)c1cccc(Br)c1)C2 2169735467 KDPMZDWWIRYXNP-BZSNNMDCSA-N 435.362 4.944 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC=CCC1 2235732663 ZSNBRGHFGPHCDT-MISYRCLQSA-N 433.390 4.638 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2245893436 NDORBTTXRWUCFO-LIRRHRJNSA-N 433.471 4.634 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](N)C#Cc1ccccc1Cl 2245950370 IIIZPRJBXVFSPU-LEWJYISDSA-N 428.960 4.519 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 2247817208 KNCPSIXVDMEXFY-INIZCTEOSA-N 425.403 4.797 30 10 IJEE O=C(NCCCCC[C@H](O)C#Cc1ccc(Br)cc1)OCc1ccccc1 2253290129 KSQKIYXUHFNKHO-NRFANRHFSA-N 430.342 4.648 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 2258333667 SNAOEYQNPWLEDF-IRXDYDNUSA-N 443.544 4.586 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCCCN(C(=O)OC(C)(C)C)CC1 2259674944 GJTUBDQNXZRTFD-BVAGGSTKSA-N 446.632 4.670 30 10 IJEE CCCN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)C1CCN(Cc2ccccc2)CC1 2266999192 LHIDYTPODWKCJG-UHFFFAOYSA-N 440.437 4.906 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 2267590034 JEZSAAVQJHMNLM-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c(F)c2)OC1(C)C 2282406306 IGJBZUHVHVZXHV-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1cc(Br)ccc1C#N)C1CCCCC1 2288155219 DMAYPEHWEOXICI-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE Cc1ccc(S(=O)(=O)N=C2C=CC(=O)C(Sc3nc4ccccc4s3)=C2)cc1 2293308239 POSKZGKNFCRYNW-UHFFFAOYSA-N 426.544 4.550 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccccc3)ccc2O1 2296088595 GFGDSWNXNSYHBE-IQGLISFBSA-N 439.511 4.674 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@@H](N)C#Cc1cccc(Br)c1 2296224665 MPQGGYNOZOJTRP-RBUKOAKNSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H](C)C1 2296267696 WGYNRIRGXCCHNQ-PERKRYKHSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@@H](N)C#Cc1cccc(Br)c1 2296280001 VRAFXLBYZZOEBV-SIKLNZKXSA-N 435.406 4.992 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]12C[C@H](CN1C(=O)OC(C)(C)C)C2 2296305649 WTTLNJHWLGTJJB-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE C[C@@H]1Oc2ccc(C(=NOCc3ccc(Br)cc3)C3CC3)cc2N(C)C1=O 2318634030 XXOWQIPLTWSBSH-ZDUSSCGKSA-N 429.314 4.524 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1N=Cc1c(F)cccc1Cl 2320885516 MZGYTEVWGHUNTF-UHFFFAOYSA-N 437.972 4.571 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCc1ccc(C(=O)OC)o1 2323503319 LARHGTCMNOPIOR-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccco2)cc1 2324505499 BWUCLQDBUWFHFW-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE CCCOc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1[N+](=O)[O-] 2324722283 TZGTWFUUEAKTAJ-UHFFFAOYSA-N 445.468 4.704 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2325074269 YLMYKSVXTOKNKZ-HNNXBMFYSA-N 430.884 4.612 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325423829 CPAXKNGTKOHFJN-CQSZACIVSA-N 448.500 4.729 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 2325610301 XMLUNWKCUFKOEE-UHFFFAOYSA-N 431.305 4.800 30 10 IJEE COc1cccc(OCC(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)c1 2325723458 XICOKNYQVBEOLJ-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCOc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2326681174 COXFLLJMDRMVNC-UHFFFAOYSA-N 447.564 4.801 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(OC)c1OC 2329484430 UEGDZWBNEWYEGK-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(OC)c(OC)c1)[C@H](C)CC 2330087585 GBYYMBMCYJEXNX-NTKDMRAZSA-N 432.605 4.725 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(CCc2ccccc2)nnc1SCCCO 2330218224 WSYDWPYXNGCOPI-UHFFFAOYSA-N 446.576 4.582 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)[C@@H]1CCCO1 2331007016 ZTVUAYVDXDDFGS-FQEVSTJZSA-N 445.309 4.828 30 10 IJEE CCCNC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2331051616 RAIOCENGLOOIDC-UHFFFAOYSA-N 440.400 4.743 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccco2)cc1 2331177867 JPTAYKXKUGJMAN-UHFFFAOYSA-N 449.511 4.853 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 2331350559 ANZSPHAZHWQVLV-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(F)cc1F 2331362563 AXGSFJJUXQTLRV-UHFFFAOYSA-N 447.486 4.606 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(SCC(=O)NC2CCCCC2)nnc1C(C)C 2331703440 HYOHHMHVJHRTEW-UHFFFAOYSA-N 443.617 4.612 30 10 IJEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1 2332153531 VBISEQVYFKGXSM-UHFFFAOYSA-N 449.514 4.737 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339575027 QNAXDUNELLJZPU-MJGOQNOKSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@H](O)C#Cc2cccc(Br)c2)C1(C)C 2370360312 QRNKJCLRCJGTGU-BHIYHBOVSA-N 436.390 4.881 30 10 IJEE C=CCOc1ccccc1CN1CCC[C@H](c2ccnc(SCCN3CCCC3)n2)C1 19229501 JNAIEDNSUZGXDU-NRFANRHFSA-N 438.641 4.609 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc2ccccc2c1=O 23349369 DTAAPLIKBHBZNJ-HZPDHXFCSA-N 433.533 4.687 30 10 IJEE Cc1ccc(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c(C)nn(C)c2C)c(C)c1 32973571 HRDFXFSZCZZEKB-UHFFFAOYSA-N 435.547 4.542 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)C)cc2)c1 35275242 NBXVHQVGVOBHER-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE COc1cc(/C=C2\S/C(=N/c3cccc(C)n3)N(c3ccccc3)C2=O)cc(OC)c1O 39863565 UNMTXLLKQSRYPR-SXROATFKSA-N 447.516 4.921 30 10 IJEE Cc1cccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCc3ccccc3)C2=O)c1 59446158 YPUNSMIWSBLIJJ-JOCHJYFZSA-N 429.545 4.838 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CCC(Oc3ccc(C)c(C)c3)CC2)c1=S 97506966 YCHHWFDHMVQVHO-UHFFFAOYSA-N 435.597 4.780 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102433311 RYWHKTYMJLACQR-QQYUXEJHSA-N 442.515 4.836 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2C)cc1 169926610 BOFJVNDILQDXJV-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2C[C@H](C)O[C@@H](C)C2)C1=O 169993770 GMXSAEFPLMEZKV-PMACEKPBSA-N 442.600 4.635 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@@H]3c3ccncc3)nc2c1 170027167 MSCARMGLEJIYLD-QFIPXVFZSA-N 438.487 4.666 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2)cc1 170054319 LNJZBYVRUKUMGL-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)cc2)ccc1F 170057119 UQUMGMRWAWYENV-HXUWFJFHSA-N 431.891 4.791 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)c1 170058697 HMMLAYFXYMSUJE-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066872 FRNCMFKXIGZIPZ-DHLKQENFSA-N 433.548 4.886 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(O)c2)c1 170079097 NAWJDTPHGYIWGE-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1c(C)[nH]c2ccccc12 170104199 NBMLKSVXKKQWTR-HSZRJFAPSA-N 443.503 4.572 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2sccc2C)cc1 170105175 DGDNQVDTNISBTB-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC(F)(F)F)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 170141820 ZSJFISRBYZGNOF-UHFFFAOYSA-N 446.425 4.750 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170184081 ZFOVKDXGAYMINW-QHCPKHFHSA-N 428.463 4.882 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)c1 170189999 GISDNPKEGIZHJP-XMMPIXPASA-N 440.499 4.757 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccncc1 170202856 SWLXXLLFNKEYJJ-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCOC(C)C 170313211 WTCNDQJKSBWSBQ-OAQYLSRUSA-N 439.577 4.939 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OC(C)=O)c1 170321029 IBTJWOBLZPLLEV-FQEVSTJZSA-N 427.884 4.644 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 170438514 PWDRKVPBYWAFRL-DEOSSOPVSA-N 437.536 4.995 30 10 IJEE Fc1ccc(NC(=S)NN=C2CCCC(=NNC(=S)Nc3ccc(F)cc3)C2)cc1 254442794 NBWMGXAVTIVROQ-UHFFFAOYSA-N 446.552 4.524 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 409894959 HUEKHFKRINZBDS-SAWYMBPVSA-N 436.508 4.635 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1 446117236 GTCXVQNQCHFBLA-IBGZPJMESA-N 445.401 4.518 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](c1ccccc1)c1nc[nH]n1)c1ccc(C(F)(F)F)cc1 446652811 KBJXUVSRCFEPAN-MOPGFXCFSA-N 429.446 4.920 30 10 IJEE C=CCn1c(SCc2cncc(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 460862082 OTRXVNKZZWKQNG-KRWDZBQOSA-N 434.443 4.683 30 10 IJEE C=CCn1c(SC[C@@H](O)CC(F)(F)F)nc2scc(-c3cccs3)c2c1=O 470015076 KACZFNMDLIBHOD-JTQLQIEISA-N 432.514 4.778 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cccc(COC2CCOCC2)c1)c1ccc(F)c(F)c1 477090523 RSJPNNMJUCDUPS-HSZRJFAPSA-N 430.495 4.777 30 10 IJEE CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)n1 483224177 NHBMLJYIUYLHKE-OAHLLOKOSA-N 428.416 4.880 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 526514448 FRJLBNVSYBJKJN-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(SCc3ccco3)C2=O)cc1 526668377 CRMVATYLKZGDRC-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(OC)c1 526803578 AYFAGBYNHAYWDK-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE N#Cc1cccc(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 531154129 FKBZEHWDZMWIHE-QFIPXVFZSA-N 434.421 4.902 30 10 IJEE N#C[C@@H]1CN(C(=O)c2csc(-c3cccc4ccccc34)n2)CCN1Cc1ccccc1 537569496 VRIBYIIJTFOSRG-OAQYLSRUSA-N 438.556 4.813 30 10 IJEE C[C@H](NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542089703 FVWAURBXBPZQGY-UQBPGWFLSA-N 438.531 4.559 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2cc(OC)c(F)cc2C1 562033474 XKFURFAKULOLLQ-UHFFFAOYSA-N 428.895 4.504 30 10 IJEE Cc1sc2ncn(CCC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c(=O)c2c1C 609427178 SBLPJRWNMCRXHJ-UHFFFAOYSA-N 444.516 4.768 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1C#N 609550043 UBYSAERDOXQYSR-UHFFFAOYSA-N 425.897 4.865 30 10 IJEE C[C@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1cccc(C#N)c1 610356287 NQIMBQYZWUIDMQ-LIRRHRJNSA-N 445.304 4.771 30 10 IJEE C#CCCCCC[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 686707291 DDUKHAXDUAQHGD-OZXSUGGESA-N 427.633 4.718 30 10 IJEE C=C(COC(C)C)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705409941 PTJPBAAZXCPJMB-PUHATCMVSA-N 434.621 4.834 30 10 IJEE Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787516671 ZADCNZUHBHCXPB-UHFFFAOYSA-N 432.455 4.624 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CCCN1C(=O)OC(C)(C)C 790522694 CLJUWVXMVHBCBG-YADARESESA-N 440.544 4.699 30 10 IJEE C[C@H](C(=O)Oc1ccc(Sc2ccnc3cc(Cl)ccc23)cc1)n1cnc(C#N)n1 798463379 AEJWACSXYFPOGR-CYBMUJFWSA-N 435.896 4.669 30 10 IJEE N#Cc1cccc([C@@H]2CN(c3nnc(CC4CCCC4)n3Cc3ccccc3)CCO2)c1 802128028 HXQDQMXKRQHTLC-DEOSSOPVSA-N 427.552 4.509 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 803523093 LKLBPALAYBPOHG-IBGZPJMESA-N 449.904 4.721 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 1124591763 YLRROGRKKZTRLA-UHFFFAOYSA-N 425.466 4.852 30 10 IJEE C=CCN(C(=O)[C@H](CC)CC(F)(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124608132 IBVZIGXGTJSXIE-CYBMUJFWSA-N 446.516 4.711 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Oc3ccccc3F)nc2)CCCN1C(=O)OC(C)(C)C 1128599445 PPIOBGTUSDLYST-XMMPIXPASA-N 439.487 4.745 30 10 IJEE C#C[C@H](NC(=O)[C@H]1[C@H]2c3ccc(Br)cc3C[C@H]21)c1ccc(Br)cc1 1129610101 DXFCAIHBHRCWFJ-YDZRNGNQSA-N 445.154 4.588 30 10 IJEE C#C[C@H](NC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)c1ccc(Br)cc1 1129611128 VOCGJPBOFZIHAJ-HVJHFUJKSA-N 430.298 4.501 30 10 IJEE C#C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1129616858 XDUZDTFYSKNVMD-PZJWPPBQSA-N 438.852 4.724 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(Cc2c(F)cccc2F)CC1 1142087731 SETFORDIFOTJQD-UHFFFAOYSA-N 437.490 4.810 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)CCc2ccc(Cl)cc2)cc1 1185777868 BBTKEASJCHOPLA-UHFFFAOYSA-N 442.943 4.925 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1192459206 GBSVARVKLWQYAG-RISCZKNCSA-N 442.297 4.761 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)c2C#N)C1 1198173270 BQPGLCHXSHGQDO-FGDDKPPBSA-N 437.609 4.924 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1 1204044251 FSIUPRODWMNDIN-HXUWFJFHSA-N 435.568 4.511 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 1222101969 LVWYWYHIAYGOMJ-BXWFABGCSA-N 425.495 4.801 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1ccc(F)cc1F 1229755409 HATKPQLXZZRAJE-UHFFFAOYSA-N 443.263 4.643 30 10 IJEE C#C[C@H](NC(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1)c1ccc(Cl)cc1F 1252479703 ROCACEHRCZTEEI-AOMKIAJQSA-N 425.935 4.779 30 10 IJEE CCN(CC)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 1264204622 BUNGWZXXZCTOSV-SANMLTNESA-N 427.548 4.950 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cc1OC 1264388669 ZREGTPJQPWGRPY-LCYFTJDESA-N 426.476 4.646 30 10 IJEE C[C@H]1CCc2sc(NC(=O)COc3ccc(C#N)c(Br)c3)c(C#N)c2[C@@H]1C 1274491347 CFPVFNQNKGLWPP-NWDGAFQWSA-N 444.354 4.957 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 1276786916 AGCZTYJXMVFASG-LJQANCHMSA-N 447.560 4.607 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)C(C)(C)C 1279620301 IKZZXJPMZHTLKR-UHFFFAOYSA-N 434.540 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCCc1ccccc1 1286273326 HJUXJPMFKJOREI-QGZVFWFLSA-N 440.389 4.527 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccccc1F 1286337623 OHGRSSKRXPQONO-OAHLLOKOSA-N 444.352 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(C2CC2)CCC1 1286421956 HSMCTBZPHHNOBT-UHFFFAOYSA-N 437.385 4.751 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C(F)(F)C12CCC2 1286453696 WJRMIWFAHKVIFI-YJBOKZPZSA-N 434.918 4.966 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccs1 1286454083 FVSFVFXPNDLWEH-UHFFFAOYSA-N 437.931 4.882 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nccs1 1286518977 OKDSZTCPTXDEBE-QVKFZJNVSA-N 427.961 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCCC 1286554320 XRDNVXABKWPCCI-PKOBYXMFSA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)Cc1scnc1C 1286558892 RSIUDYQVCFNNQH-OFNKIYASSA-N 437.613 4.560 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286669156 XEXRFKHCDQIUPE-GCJKJVERSA-N 440.588 4.570 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(OCc2ccccc2F)CC1 1286686494 HZBQVJLIVHGXLO-OAQYLSRUSA-N 442.579 4.853 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1286688735 SUCQBQMYPZJXJD-LJQANCHMSA-N 429.559 4.568 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286729207 NUUYVKHROAXVSX-OYRHEFFESA-N 439.648 4.853 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C)C(C)C 1286752500 XYYRGCRZHBKQKB-MBSDFSHPSA-N 443.586 4.941 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCSC(CC)(CC)C2)cc1 1286796555 MJEJYKCBPQPNBL-HXUWFJFHSA-N 442.629 4.507 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1287741219 HPHQJGXPGLTJMR-HSZRJFAPSA-N 426.653 4.509 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](COCC)C1 1300422493 PPFUCGNWOIDOPK-OAQYLSRUSA-N 438.616 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=O)NC(C)C 1300899340 DKBCQVPDPSFHJX-GOSISDBHSA-N 448.011 4.615 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOc1ncccc1F 1301269990 ABPVAZZRPWIVOB-UHFFFAOYSA-N 446.530 4.588 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@](C)(C#N)C1)Oc1cccc(F)c1 1305814189 DBDQIXASKNBIPS-CYFREDJKSA-N 437.519 4.973 30 10 IJEE C#CC1CCN(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)CC1 1312248094 UVWKCLXHMDXACO-CQSZACIVSA-N 432.387 4.997 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)c2ccc(F)cc2)c(C(=O)OCC)c1C 1349734720 UPAXKXBOJSIXIA-MRXNPFEDSA-N 433.501 4.847 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)NC(=O)CC1CCCCC1 1352318097 MNHVIFRZDZNLBH-HNNXBMFYSA-N 439.369 4.578 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)c1cccc(Br)c1 1356181324 HGRSKZFVFMTXOO-CYBMUJFWSA-N 433.298 4.682 30 10 IJEE CCCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)CC2=O)cc1 1357964305 AINVVOSTMIWUNI-HXUWFJFHSA-N 440.503 4.690 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCC1CC1 1358912571 TWDCEZUIDQRHFJ-NRFANRHFSA-N 443.636 4.823 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCCC2)C1 1359049194 KEQVKIFTQKOHMG-GOSISDBHSA-N 428.577 4.694 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C(C)(C)C)CC1 1359080109 GLLYWFRBHRGVQC-UHFFFAOYSA-N 426.362 4.908 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(F)F)C1 1359103613 QKMGNCZFDVHLRE-XJUOHMSHSA-N 444.570 4.916 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(F)(F)F 1359104878 GYQSSNATMNGGFD-ZJPYXAASSA-N 444.542 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](OC)c1ccccc1 1359108409 NDDVJEMBDFMAFJ-IBGZPJMESA-N 444.377 4.826 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1359116888 IYDWWYALGNBOGA-UXHICEINSA-N 427.618 4.834 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359123497 RHEIMIAMFRPVSO-ICSRJNTNSA-N 431.625 4.717 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1359165467 PNAXXDAYRXPFFY-VAMGGRTRSA-N 447.599 4.687 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(SC)CCC2)CC1 1359173122 WDBDRDNONINFKV-UHFFFAOYSA-N 439.629 4.835 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1Cc1ccc(OC)c(Br)c1)C1CC1 1359250798 UQFOGXHHRLOFIC-UHFFFAOYSA-N 431.378 4.910 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cc(C)oc1C 1359258554 VBXPGMXAJDQTKU-SANMLTNESA-N 443.551 4.650 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1359273160 QSXBKIHNOLKSFO-UQBPGWFLSA-N 443.586 4.836 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1CCCC(F)(F)F 1360466163 ADAWMKQKASVLBM-LBPRGKRZSA-N 430.272 4.788 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 1360643950 HSXDTYOMHLLOOU-HXUWFJFHSA-N 448.332 4.974 30 10 IJEE Cc1cccc(N(CC(C)(C)C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 1436274420 DHFAJIGIVDBXOE-UHFFFAOYSA-N 447.539 4.805 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1 1450846164 REPPDSWSZASXPA-NRFANRHFSA-N 428.529 4.764 30 10 IJEE C#CCN(C(=O)C1C[C@@H]2CCCC[C@H](C1)C2=O)[C@H]1CCOc2ccc(Br)cc21 1456447348 LCWORKGEGHOUOD-YLPFRIKTSA-N 444.369 4.520 30 10 IJEE C=C[C@](C)(CC)C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1457481095 YVRZOFHPPWNCGR-XMMPIXPASA-N 428.573 4.780 30 10 IJEE C=CCC[C@H](NC(=O)c1nnn(-c2ccccc2Br)c1C)c1ccccc1 1458133151 GFWIDVLARDAXOC-SFHVURJKSA-N 425.330 4.776 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CSC(c2ccccc2O)=N1 1464415446 BNTNKINEZHQKJH-OAQYLSRUSA-N 429.501 4.865 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@](C)(C(F)(F)F)O1 1465431254 BIPMALOLJVEKBU-FQEVSTJZSA-N 434.418 4.709 30 10 IJEE C#CC[C@]1(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)CCCN1C(=O)OC(C)(C)C 1465639484 UWQHIRYSKAEHFD-KAYWLYCHSA-N 436.596 4.676 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C(C)C)C1(CO)CCCC1 1466816154 GTUGKZYPAVHGDI-GOSISDBHSA-N 425.367 4.713 30 10 IJEE C=CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)CCCCC1 1468082142 SLWPOWHKYXFKKA-UHFFFAOYSA-N 430.545 4.944 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)cc1 1468147513 HTIWSOFNLWUMSC-JTHBVZDNSA-N 429.545 4.896 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1oc2ccccc2c1Br 1475720075 DXHVESSHDPFWPK-GOSISDBHSA-N 444.350 4.897 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccccc1 1476441261 GWCPSOFLUNRPGM-CTNGQTDRSA-N 426.442 4.766 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)c1ccc(F)c(F)c1 1478472826 VEIZFLUFSZHEIN-FUHWJXTLSA-N 441.247 4.917 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccccc1 1479190569 KMSAZQHECLDBSE-XLIONFOSSA-N 430.570 4.557 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1493026545 DULXGTLNXQQVIH-GGAORHGYSA-N 448.571 4.509 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)OC 1494987214 CBPNXKTXIAZGFR-SNRMKQJTSA-N 435.494 4.657 30 10 IJEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1496057094 CVQXNPOAQDWMAC-XZDHIHRUSA-N 439.604 4.662 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1sccc1C 1507523718 QUROKCRYJVYOSK-HNNXBMFYSA-N 429.387 4.892 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCCC(F)(F)C1 1507676102 JHLKVRAHDUDNRA-IBGZPJMESA-N 444.501 4.675 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2[C@H]1C 1507822949 QPVZQEMRJZFHBH-OAHLLOKOSA-N 426.362 4.746 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1507872094 FUJQFMUMRIXOSL-UHFFFAOYSA-N 432.849 4.918 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cc(C(C)(C)C)no2)CC1 1507887285 MAJCHQPMYNOBJF-UHFFFAOYSA-N 435.572 4.562 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1507899412 GBIKSSGBFCIJGM-LJQANCHMSA-N 447.583 4.639 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1507915343 BOFIDLUFRJXJAS-FQEVSTJZSA-N 428.577 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507918476 HAJMLILIZWFRPE-VWLOTQADSA-N 426.580 4.850 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCC1CCC(OC)CC1 1508005682 ZIBOEZZUDOBTFN-RZMWZJFBSA-N 438.616 4.960 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1CCC 1508005836 YGKRGFBOZBVVJI-QFIPXVFZSA-N 434.563 4.546 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CCc1ccc(F)cc1C 1508028574 UBXAXQSMWRSTSK-UHFFFAOYSA-N 431.515 4.858 30 10 IJEE COc1ccc(Br)cc1C1(C(=O)Nc2nc(C)c(SCC#N)s2)CC1 1525663128 CGOZFOITSUIGPM-UHFFFAOYSA-N 438.372 4.509 30 10 IJEE CCc1c(C(=O)Nc2ccc(Br)c(C#N)c2)cnn1-c1ccc(Cl)cc1 1527157803 CXKGAZNKEIRYKV-UHFFFAOYSA-N 429.705 4.975 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)c1ccc(Cl)cc1 1528062358 ZRIATDGNBGUXQK-NOZRDPDXSA-N 432.951 4.667 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2)c1ccc(Cl)cc1F 1528522373 BBGBZKFALMLFIX-IBGZPJMESA-N 425.866 4.705 30 10 IJEE C#CCOc1cccc(OC(=O)[C@H]2CN(Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 1528715292 KFUUGGQEAKCOTM-IXCJQBJRSA-N 425.528 4.694 30 10 IJEE Cc1cccc(CN2CCCC[C@H]2C(=O)OCc2cc(Br)cc(C#N)c2)c1 1530810799 DGKYEACZIKBOMF-NRFANRHFSA-N 427.342 4.727 30 10 IJEE Cc1cccc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C 1530864132 GZPOZWDXFKBTST-WMZHIEFXSA-N 435.955 4.935 30 10 IJEE Cc1nc(SCC(=O)N(C)Cc2ccc(F)cc2Br)c(C#N)c(C)c1C 1531539947 AZEQAIYFZFHLJJ-UHFFFAOYSA-N 436.350 4.531 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1534731619 NDJIDTCKYORQKC-FQEVSTJZSA-N 430.442 4.530 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(F)(F)c2ccc(Br)cc2)cc1 1535141879 PTAFLUCZBVOEHZ-UHFFFAOYSA-N 449.295 4.994 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc21 1538956246 MTDRENXPNRNEOQ-IIBYNOLFSA-N 443.334 4.687 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2cccc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1539086499 HEOQOUXVSOIEHS-DHLKQENFSA-N 440.563 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](c3nc(CC)cs3)C2)nnc1C(C)(C)C 1539639799 BJSJWZDVXQUURO-GGPKGHCWSA-N 443.661 4.960 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1539641398 MBPFUSNBDYIONB-OXHIVJRSSA-N 428.552 4.602 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1539847456 LVXNOVQZSZSZFE-SIKLNZKXSA-N 440.588 4.572 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC1 1539944396 CPLDTYPQEBPGON-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1c(F)cccc1Cl 1539947798 LUKPKERGGRFQLS-UHFFFAOYSA-N 433.959 4.538 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1Cc1nc(C(C)C)cs1)C1CC1 1540115611 HWLCUUDPKWWTAQ-UHFFFAOYSA-N 427.549 4.779 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCO1 1540121817 WZILRAQGLPLRTP-JOCHJYFZSA-N 438.597 4.701 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@H]1C(=C)C 1540133950 MFMJEQHNNVVDBZ-GGAORHGYSA-N 433.531 4.653 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1ccc(Cl)s1 1540185702 WSJDUHBHYFQDRN-UHFFFAOYSA-N 425.945 4.931 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H](C)CCSCC 1540856016 MERITVMKMCMBMV-AWEZNQCLSA-N 439.423 4.870 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC)C1 1540916015 RBCVNRNHKUXSJJ-OALUTQOASA-N 449.665 4.548 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC(C)(C)C)n1Cc1ccccc1-n1ccnc1 1541513669 BEYUNMXJHDVCFX-UHFFFAOYSA-N 433.604 4.867 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC2(CC1)CO[C@H](CNC(=O)OC(C)(C)C)C2)c1ccccc1 1558622485 BSICGKSHGNWORI-FCHUYYIVSA-N 442.600 4.659 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)c1 1558713092 AMVIELJECMQDMA-IBGZPJMESA-N 425.533 4.526 30 10 IJEE C[C@@H]1CN(c2ncc(C#N)cc2Br)C[C@H](c2cccc(C(F)(F)F)c2)O1 1559197224 CMOFIILTGFRIPM-BDJLRTHQSA-N 426.236 4.701 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@H](N4CCCC4)C3)c2C#N)C1 1559483972 CIAMLHWITYQSAL-MOPGFXCFSA-N 442.673 4.660 30 10 IJEE C#CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 1559820724 NZFCWTGEWIYVBO-QZTJIDSGSA-N 438.593 4.512 30 10 IJEE C#Cc1ccc(S(=O)(=O)NC2(c3nc(-c4ccccc4F)c(C)s3)CCC2)cc1 1561595838 JJTIACDRSTVJMW-UHFFFAOYSA-N 426.538 4.597 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2c(C)nn([C@@H](C)CC)c2C)[nH]n1)c1ccc(Cl)cc1F 1568898659 UFHNTRWCIKJGEA-SGTLLEGYSA-N 427.911 4.758 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1583251038 CEYFOEMQEPFEDQ-XMMPIXPASA-N 429.536 4.548 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCOc3cc(F)c(Br)cc32)cc1OC 1583826416 BJODVJOBROLRDG-ALCCZGGFSA-N 448.288 4.600 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 1587194058 UQOOZNDWHPASTQ-UHFFFAOYSA-N 428.467 4.656 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 1587437601 SLGDOFLRYJDQHS-WMZHIEFXSA-N 436.955 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@@](C)(CC)O1 1587575593 YRBCGLMEVSHRBW-CMPZQBNXSA-N 449.368 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccccc1Cl)N(C)C 1589178113 RNWBIWYDKIFFKE-GBXCKJPGSA-N 437.975 4.795 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccccc1C 1589427186 CPMDDCZAIMUXGP-FQEVSTJZSA-N 438.373 4.822 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](C)OC(C)(C)C1 1593712065 QYWXZWQHEDIBIJ-QZTJIDSGSA-N 444.645 4.728 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(CC)c1 1593914116 BIZDTPVJICPNEY-UHFFFAOYSA-N 442.995 4.760 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(C)nc2)CC1 1594063729 BQWVGDKENSQARY-UHFFFAOYSA-N 438.373 4.924 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(CCOC)CC2)CC1 1594071080 YNTHJJIGGDPKDS-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1594492176 UMRJXTKTFVGXDF-MOPGFXCFSA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1Cc1nnc(C(C)(C)C)s1 1595099434 BEXPGUQPHUAMPH-UHFFFAOYSA-N 449.628 4.738 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H](SC)C(C)(C)C 1595120145 OARXSPHQUIKPNK-LJQANCHMSA-N 447.624 4.526 30 10 IJEE C=CCC[C@@H](NC(=O)c1cnc(C2(C)OCCO2)s1)c1ccc(C(F)(F)F)cc1 1597058549 RZRFPXGOZNQDGH-OAHLLOKOSA-N 426.460 4.819 30 10 IJEE O=[N+]([O-])c1cc(/C=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c(O)c([N+](=O)[O-])c1 1614353130 NMJXDHMHZCPTBS-DENHBWNVSA-N 439.133 4.980 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 1624825389 JGBYDKAYBFWKAH-UHFFFAOYSA-N 434.561 4.933 30 10 IJEE CCOc1nc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2[nH]1 1624918508 ADJAGYHFPOXWTP-UHFFFAOYSA-N 426.476 4.859 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4cc(F)c(Br)cc4C3)cc2n1 1627664559 TYKJGCHFSXCFMI-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(C)CCCOC1 1631704446 GTKDYIBCZWDZRP-SQHAQQRYSA-N 448.563 4.545 30 10 IJEE Cc1cccc(-c2ccc(CNC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc2)c1 1632170368 HPSHKIOZHXTZRR-UHFFFAOYSA-N 428.511 4.705 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)N[C@H]3C[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 1634693196 HJYIKQDBZVQTEF-MXVIHJGJSA-N 443.378 4.638 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)cc(NC(=O)OC(C)(C)C)c1 1635630139 HGADPNQQMYUBEY-GOSISDBHSA-N 431.533 4.587 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C)c1ccc(F)cc1 1636548222 NLLBTGQIAVDBOC-IZZNHLLZSA-N 435.587 4.875 30 10 IJEE C=CC[C@H](CO)CNC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1637570710 BHSBTBYBQZANTQ-ZDUSSCGKSA-N 436.364 4.822 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CSc1nc2ccccc2nc1N1CCCC1 1637848000 FOQFWXURNSFFFZ-HXUWFJFHSA-N 432.593 4.626 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccccc1 1638481886 HDYUPAULINVLCQ-CKUXNOBLSA-N 442.600 4.657 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccccc3SC(F)(F)F)n[nH]2)c1C 1647725969 GETBNMDMOQBHLH-UHFFFAOYSA-N 435.475 4.618 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3S[C@@H](C)[C@H]2C)n(Cc2ccco2)c1C 1652776900 HKQWRCGCDTVCMB-MSOLQXFVSA-N 434.565 4.946 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 1657771147 RCCOFNOSHANFAL-NRFANRHFSA-N 444.362 4.797 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 1668073068 TWISNNWTYSTBHR-KSFYIVLOSA-N 426.538 4.712 30 10 IJEE CSc1ccc(Br)cc1CCNC(=O)Nc1ccccc1O[C@H](C)C#N 1668207158 DLXQPNOWZLUMIK-CYBMUJFWSA-N 434.359 4.826 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1)C(C)(C)C 1669924556 HPTVIHYFXDAQGT-JOCHJYFZSA-N 441.597 4.851 30 10 IJEE C#CCN(C(=O)NCc1cccc(COCC(F)(F)F)c1)[C@@H]1CCCc2ccccc21 1670836625 QLJJOICNARWLNT-JOCHJYFZSA-N 430.470 4.988 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 1670913428 FQOHCHSWQUORKB-DEOSSOPVSA-N 431.577 4.743 30 10 IJEE C=C1CCC(CNC(=O)NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)CC1 1677650235 HRNKCXCAOUOONZ-UHFFFAOYSA-N 435.568 4.601 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@@H](CC(C)(C)C)c3ccc(Cl)cc3)CC2)c1C#N 1679546784 FMDAGIYUDAFIQQ-IBGZPJMESA-N 446.020 4.986 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc21 1680802006 AAAVJVWGLABMOE-GOSISDBHSA-N 441.482 4.614 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 1684894244 NVXHOOTVVOQONA-QFIPXVFZSA-N 425.960 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)CN1CCCC1 1689831422 KTUWEOGBEUAZMG-MOPGFXCFSA-N 448.640 4.567 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1689888776 QKMLCDDMAAWFIX-GOTSBHOMSA-N 440.563 4.648 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(C)=C(Br)C1 1689904094 KCPFBRNPNXXNDM-UHFFFAOYSA-N 443.389 4.848 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(CC)(CC)OC 1690038698 ZWUURCFUSCYUIS-UHFFFAOYSA-N 433.383 4.920 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1690235551 AWTGQXBOQDKEFW-KEZQHZCBSA-N 443.661 4.718 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1690251810 ZNZGMVTUMYVWEX-NZQKXSOJSA-N 439.560 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CC[C@H](CO)O1 1690257748 SLUVMOIAYJHHEE-JKSUJKDBSA-N 447.004 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccco1)N1CCCCC1 1690262566 GDGCRSLVXWWRLC-JOCHJYFZSA-N 434.588 4.871 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@H](C)c1ncc(C)s1 1690570055 ULJXZKKXBMSZAB-INIZCTEOSA-N 449.559 4.635 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCC(C)CC2)cc1 1690613870 WNGOOSQMGMGREN-UHFFFAOYSA-N 449.599 4.770 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](CCOC)C1 1690736116 TWJQGEGWBBRTCT-LJQANCHMSA-N 437.613 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OCCC)nc1 1705481851 NSEUUJXRUGQRPW-ROUUACIJSA-N 449.624 4.821 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)Cc1cccs1 1705620121 MAVKSJSZFIKIDS-UYAOXDASSA-N 438.572 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCCN1CCC 1705670699 FXEBGHUQRXHKBX-NTKDMRAZSA-N 443.998 4.994 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(C)s1 1705701113 CMHMZADBSNHQTM-XXBNENTESA-N 440.588 4.996 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1705722234 BNMCLQWVYUJIOT-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C)C1 1705786856 ZJKOZCQPASISTJ-AWEZNQCLSA-N 437.357 4.674 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1705813711 QVXFINXOGLXSGN-DEOSSOPVSA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1CC(OCC)C1 1705837686 LGCAWLHNJJJPSM-UHFFFAOYSA-N 433.394 4.843 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCO[C@H](C)C1 1705878976 IMYUIOJLXAEVGB-WOJBJXKFSA-N 436.556 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@@H](C)C1 1705879537 CQABZOOGISRZOL-OALUTQOASA-N 426.586 4.574 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCC(C)(C)C)C1 1705921489 SYIUAOWKCWMCCQ-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705948605 YWDWQKJDMJMUSL-ILWGZMRPSA-N 426.630 4.834 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)C1CC1 1706079223 GVQQOKCEWUEAST-JBJBFBLISA-N 435.616 4.986 30 10 IJEE CC(C)(Cn1c(CCc2ccccc2)nnc1N1CCC(CC#N)CC1)c1ccccn1 1706196714 DNTJBRHHRVZKHS-UHFFFAOYSA-N 428.584 4.566 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C)s2)cc1 1707565024 DMQCSBOWUKIJAC-NRFANRHFSA-N 427.574 4.739 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1 1708022207 FZEZXTLVNIBBTE-BXKMTCNYSA-N 441.645 4.668 30 10 IJEE CCc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1708932833 ATYQNWAKHCIXLM-DEOSSOPVSA-N 446.580 4.531 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN(C)C(C)C 1722278207 KQBSGBCCTBNECO-GOSISDBHSA-N 436.629 4.565 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1CSC)c1ccccc1 1722598130 ZSNGTMQDYNTPDS-FYYLOGMGSA-N 433.625 4.956 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722616678 ZEYGYZZZPCVXED-IBGZPJMESA-N 440.979 4.639 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc2c(s1)C[C@H](C)CC2 1722635349 WZYURUAKWVSCGY-HZPDHXFCSA-N 441.576 4.809 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@@H]1C(C)C)C1CC1 1722646113 DGPLIAPPJPSTEE-NJNPRVFISA-N 428.552 4.773 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722655863 SWCNUTHJMIESBP-JHDGKUDLSA-N 444.583 4.551 30 10 IJEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cccs1 1722968680 DPMZLIFSTRFMKP-LJQANCHMSA-N 448.596 4.525 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)CN(C)C 1723770473 AAAWMRSIGTWMRL-KRWDZBQOSA-N 428.650 4.602 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCN1CC 1740558621 UIWVRLHBVRIDBM-FGZHOGPDSA-N 437.632 4.621 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740596742 KXGVGOBUVWKGAW-HBMCJLEFSA-N 441.620 4.780 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740662988 UKNIUPDFSFTXSZ-HNNXBMFYSA-N 425.989 4.688 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1Cc1nc(C(C)C)cs1 1740676927 CJJCJAUUYIUAPR-UHFFFAOYSA-N 446.555 4.747 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCCOC(C)C)CC1 1740837319 ZIZSBSXPZAVNOC-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(OC(C)C)nc2)CC1 1740839837 OYWOZCSMHKUBOT-UHFFFAOYSA-N 431.584 4.810 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1740865516 WUIUECDFXGJPHM-UHFFFAOYSA-N 431.625 4.813 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)C)C1 1740871937 TZQFHTRTOAKXQR-SFHVURJKSA-N 437.357 4.674 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1740875000 NSTRJGYSPZTUKS-IRXDYDNUSA-N 438.601 4.671 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1csc(C)c1 1740915208 YAZUMMYBYUJIBC-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@@H](C)CC(C)(C)C2)cc1 1740967866 SQLPAFSYWOLSOK-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC=CCC2)C1 1740975097 SAQFSJXPICTRMK-PXNSSMCTSA-N 430.499 4.684 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N)OC 1743518373 DFLYRQGEZLVPTR-MJBXVCDLSA-N 440.411 4.569 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1744824868 HFYWVDHDNHFKLB-DNVCBOLYSA-N 440.473 4.904 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](SC)C(C)(C)C)C1 1746964487 BGGOVWRGXHDBIF-UXHICEINSA-N 427.618 4.600 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCO[C@H]1CCCC[C@@H]1C 1748918863 RZWUPDMYJLNYHL-PXNSSMCTSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749120516 FOJZKFXDBDWJQP-SBHAEUEKSA-N 428.577 4.612 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccco1 1749136445 NLQAYCJBLXZQIZ-HYBUGGRVSA-N 436.556 4.685 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC(C)(C)C1 1749182856 HLKSVCVILMRFGF-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nc(C)c(C)s1 1749383638 CBHQYWPJSGMDCT-UHFFFAOYSA-N 439.585 4.978 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(=O)OC)CC1 1749416047 UBDHOZFXPDHGRS-UHFFFAOYSA-N 445.976 4.668 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)C[C@H]2CC)cc1 1749686638 WHVSAXVXYBBVPT-LAUBAEHRSA-N 437.613 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1760108139 VOMITNWTWSTSFK-MIZPHKNDSA-N 433.625 4.856 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(c2nccs2)CC1 1760130464 KADDJBZBTUICKW-UHFFFAOYSA-N 441.004 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1760207733 UVVPBXQKMADTIZ-OALUTQOASA-N 430.474 4.532 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cscn1 1760321529 HSEJZKWCFAOIIC-DYESRHJHSA-N 444.004 4.596 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC2(C)C)CC1 1760387749 VBSWCVAWVFCKSV-RTBURBONSA-N 429.609 4.595 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(Cl)nc2)CC1 1760405214 PARVKUQYXCFJNC-UHFFFAOYSA-N 437.975 4.973 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(CCOC)CC1 1760458014 PMGYAZSAWLHQIB-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCC[C@@H](C)C1 1760490571 AMDURKMFSLGOAQ-HXUWFJFHSA-N 430.600 4.712 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCCc1ccnc(C(C)(C)C)n1 1760492201 KCTZQOZMMFXBIJ-UHFFFAOYSA-N 441.583 4.715 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCc1cccs1 1760502118 OMBFWCMYTSSMMV-UHFFFAOYSA-N 447.402 4.651 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CCC#N)CCC(C)C 1760508844 NSNQBGVJMLMYDF-UHFFFAOYSA-N 432.366 4.668 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCSC1 1760698151 CSYHYSIRTGRBAS-UONOGXRCSA-N 440.400 4.513 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)cn1 1761781938 HCDFGACARIMXLV-UHFFFAOYSA-N 440.473 4.737 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1)OC 1763464261 FLTACEBCSYYWTA-CVDCTZTESA-N 439.604 4.665 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1cc(OC)ccc1OC 1861729012 JVCLCHFITFWJNY-QMPJNXRZSA-N 432.605 4.869 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446140 LVAMETMMHLCKAJ-IBGZPJMESA-N 442.302 4.538 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc2cc[nH]c2c1 1862527403 WYLSYZQAVTVPCR-LJQANCHMSA-N 437.293 4.695 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 1862536869 JIKAJCJEYKPKCC-QHCPKHFHSA-N 447.487 4.725 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(Br)c1 1862565607 BNONIFQNEGCBTN-LJQANCHMSA-N 443.341 4.656 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2 1862626502 CSMOASFNEIELPT-NRFANRHFSA-N 439.895 4.980 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)O)cc1 1862654951 WDHQAUIZGLKFFX-QFIPXVFZSA-N 429.472 4.772 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674546 OTWHBDNAKFTUBR-NRFANRHFSA-N 437.854 4.963 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(OC)c2)cc1 1862686787 BIWAQXJWYWQUBU-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862688353 WOWJUASQYPOTBZ-XMMPIXPASA-N 445.490 4.964 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C(=O)O)c1 1862701597 IYVUXHTZJMDOSA-QFIPXVFZSA-N 449.503 4.695 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862748178 ZNBRZZIZHJDTGB-HSZRJFAPSA-N 442.471 4.724 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1 1862748807 KEYNYAOHNCUKQB-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE CCc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863136540 SPFUQQDNIYQTCR-UHFFFAOYSA-N 432.483 4.999 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863315809 UAFZNCDICHWDIE-UHFFFAOYSA-N 433.458 4.919 30 10 IJEE CCCCCCCCNC(=O)c1cc(O)c2cccc(I)c2n1 1866528105 UJNQLKTXJRDXHJ-UHFFFAOYSA-N 426.298 4.635 30 10 IJEE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866780563 FWCOEIQGJDATQF-GOTSBHOMSA-N 429.495 4.753 30 10 IJEE COc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866979942 MUWKBNHIRYPSPJ-LOSJGSFVSA-N 441.531 4.803 30 10 IJEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868238134 KWMAKHCURZNJHW-IBGZPJMESA-N 427.508 4.938 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868286544 MJTBMHWKUCABOS-JOCHJYFZSA-N 444.970 4.727 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccccc3)C2)nc(-c2cccc(OC)c2)n1 1869312905 AKHLIWMTQSXLFT-DEOSSOPVSA-N 442.563 4.909 30 10 IJEE CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(C#N)nnn1-c1ccc(C(F)(F)F)cc1 1870144784 KYHNBFXDGFNVQA-AWEZNQCLSA-N 443.429 4.687 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2)c(CN(CCO)CCCC)cc1=O 1870410951 MTQAFYGJJSCPTN-UHFFFAOYSA-N 428.617 4.840 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871007261 SQSJIUPBNCSGCN-UHFFFAOYSA-N 426.438 4.848 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1871838102 BNOYMLIMOQRHAP-JOCHJYFZSA-N 430.570 4.670 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871989871 CJZBBBWOMLCAMT-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872033873 QWUYGALLCARSHX-QFIPXVFZSA-N 444.597 4.605 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872489759 ZDQRZFOURPNGSN-SFHVURJKSA-N 434.989 4.778 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)cc1C)c1ccccc1)S(=O)(=O)CCCC 1872577636 LAPXPACGNXDXIG-HSZRJFAPSA-N 444.597 4.691 30 10 IJEE N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccccc2Cl)cs1 1872764230 HUZSKOMCGADXSP-SJLPKXTDSA-N 435.936 4.688 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874207633 RLSSSIPLQZQJQY-UDWIEESQSA-N 446.330 4.534 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1c(F)cccc1Cl 1874219050 SIOWYTKXGBZPBZ-ZMOGYAJESA-N 448.951 4.867 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OC)c1 1874270404 ULZTYNBHORGMGZ-PCLIKHOPSA-N 430.533 4.897 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc(Br)c1 1874298459 BJUCOFXAPUVKLD-SRZZPIQSSA-N 431.359 4.841 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(C)c1 1874365217 QRODRVXQQSOIJH-ZVHZXABRSA-N 441.988 4.750 30 10 IJEE C=CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874400150 JXCFXHZYUKTFFA-JMKVTYIUSA-N 428.945 4.958 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)c1O 1874461404 LUOTVEKFQYEEMB-YSURURNPSA-N 436.459 4.802 30 10 IJEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874467894 HQBRSMFULJRCBG-LFVJCYFKSA-N 430.489 4.918 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874471364 QVZXMGOSGXUEPO-LFVJCYFKSA-N 446.617 4.985 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccccc1OCCC 1874479571 HGKPKVXFQWENAY-OEAKJJBVSA-N 432.590 4.583 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1c(F)cccc1Cl 1874529969 KYCNTLDACHWBBL-FOKLQQMPSA-N 431.924 4.554 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(S)n1/N=C/c1ccc(Br)cc1 1874568084 GLZHDEKUZIGWIH-LPYMAVHISA-N 445.386 4.840 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1OCC(=O)NCc1ccccc1 1874596368 ULAJKFNLNKUIBY-ACCUITESSA-N 429.516 4.903 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccccc1F 1874620558 HVUDSMCINJMDJH-YRNVUSSQSA-N 433.435 4.511 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1 1874621197 PDDKKEKYMPOGLV-WEVVVXLNSA-N 429.472 4.946 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1(C)C 1981684292 DOZZOMQCHCRICO-ORAYPTAESA-N 435.487 4.619 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2014113051 BQCQRQJCJRKTIR-FQEVSTJZSA-N 447.498 4.859 30 10 IJEE CCC[C@@]1(C)CSC(=Nc2cc(I)ccc2Br)N1 2029946623 VDWMOLPFKCGCSV-ZDUSSCGKSA-N 439.160 4.936 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1C 2079004676 UESBLGFEVNUMBT-CQSZACIVSA-N 445.226 4.994 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2079061141 SOSVBEOKCAMYQH-MNPVBQOISA-N 445.251 4.931 30 10 IJEE Cc1ccc([C@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)cc1C 2079078058 JSFUNXHPJWLGAN-UWSDUSPXSA-N 425.314 4.857 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(F)c1 2079130505 DHIHOLNZFMPIDK-CQSZACIVSA-N 433.215 4.990 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C#N)c1I 2079856473 SKILDUSCHMWDFU-VIFPVBQESA-N 431.199 4.865 30 10 IJEE CC[C@@H](c1ccc(OC)c(C)c1)n1nc(C2CCC2)c(C#N)c1I 2079972137 QOWXGPMGPNJCKQ-INIZCTEOSA-N 435.309 4.943 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2087653344 UPJKDUYBYJTADJ-KBPBESRZSA-N 429.403 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](Nc2cc(Br)c(C#N)cc2F)C1 2106026140 PYVODZKCYOUTBV-MRXNPFEDSA-N 426.330 4.907 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2110497232 FQVYGHVLDKNFMM-SJORKVTESA-N 443.813 4.930 30 10 IJEE Cc1cnc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2116080762 IEPSIDVCTCLKSW-FCHUYYIVSA-N 436.405 4.509 30 10 IJEE C#CCN(C[C@H](NCCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2116827344 BWQPVAZOSLPHBK-KRWDZBQOSA-N 427.358 4.808 30 10 IJEE C[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)[C@H]1CCNC(=O)OC(C)(C)C 2174764972 GDAURMZXXIPJOB-DYVFJYSZSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCCC1 2181115657 WIJMDLOBAPLGPF-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CSc1cccc(NC2CC3(C2)[C@@H](NC(=O)OCc2ccccc2)C3(F)F)c1C#N 2207138178 ZAIAWOKLVGQEIK-QOSBUDKSSA-N 429.492 4.785 30 10 IJEE CC1(C)OB(c2ccc(Nc3ccc(Br)c(Cl)c3F)nc2)OC1(C)C 2232271910 WWDFKJOSLHPZDB-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2235721582 DUHQZWZGZOGOLI-OXJNMPFZSA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2235723363 FCLHOLWFYQXHKQ-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE C#CC[C@@H](C[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237390600 LTPCBVBSYWQVIW-IHPCNDPISA-N 436.390 4.685 30 10 IJEE C#CC[C@H](C[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237404966 LZHMWNGSDOCJEA-NSISKUIASA-N 436.390 4.685 30 10 IJEE N#Cc1ncc(Br)cc1Oc1cc(I)ccc1Cl 2259923566 XAVKHDGTHQBSBT-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE CCCN[C@H](CC#CC1CCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2261097452 OUVTUNSZKDZSMG-RPBOFIJWSA-N 441.660 4.964 30 10 IJEE C=CC[C@@]1(COc2nc(Br)ccc2OC)CCCN1C(=O)OC(C)(C)C 2272119724 XVXSPWAQTCLOSI-IBGZPJMESA-N 427.339 4.577 30 10 IJEE N#Cc1cc(Br)ccc1Cn1ccc2cc(I)ccc21 2295203136 PUOIPCZRQLJOJG-UHFFFAOYSA-N 437.078 4.928 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C#Cc1ccc(Br)cc1 2296266228 FSZUZCLIBZYKNV-AVRDEDQJSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC(=O)C#Cc2ccc(Br)cc2)C12CCC2 2296276518 IUJAUQGQHBUFSR-VQIMIIECSA-N 432.358 4.843 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 2296297003 USILXPOZDHJDDU-YSIASYRMSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@@H](N)C#Cc1ccc(Br)cc1 2296302772 NUZRELADRLFMGE-SIKLNZKXSA-N 429.358 4.568 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(F)cc1I 2296305456 UJUWFTZWBLXBSF-INIZCTEOSA-N 444.085 4.505 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 2296567519 FTQKMJHFXMDVJQ-HXUWFJFHSA-N 449.532 4.568 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2306523222 SOAKELKLCZUCQE-NLFFAJNJSA-N 430.589 4.944 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Cl)cc(Br)c1F 2315458877 RMSVVPGXEUMLJX-ZBFHGGJFSA-N 433.749 4.809 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)c(OC)c1 2322948356 HQAIJLJMKDSDQJ-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)C(=Cc1ccccn1)O2 2323303011 XUXPCOAUSQPCEW-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)NC1CCCCC1 2324181839 BVXWEIUFUWHVIS-UHFFFAOYSA-N 441.499 4.567 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)NCc1ccco1 2324260470 HYBYNLBOMWKBGJ-UHFFFAOYSA-N 441.430 4.548 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2324522307 RKYPKRLOLLCGJH-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE Cc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c([N+](=O)[O-])c2)c(C)c1 2324554970 BBLKUUSAGNBJAW-UHFFFAOYSA-N 448.475 4.704 30 10 IJEE COc1cccc(C=C2Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c1OC 2324851273 FHXAMEFQVATEEK-UHFFFAOYSA-N 436.435 4.917 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccccc1F 2326765421 JSXVZFZLHYPLEV-UHFFFAOYSA-N 426.517 4.721 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OC)c1O 2327679138 XKJBTPHMOGRDAA-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccc2O)cc1 2329288535 PFUJPCHSSMTHMR-UHFFFAOYSA-N 444.560 4.800 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329920165 KCDYYGZXVGPGFL-UHFFFAOYSA-N 438.553 4.813 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccs1 2330556318 BXYNVKPWWXGPEC-UHFFFAOYSA-N 439.591 4.990 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 2330631754 CESZPFKWGRGVQH-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1Cl 2330692513 DDXKWXXMCLBLGU-UHFFFAOYSA-N 428.945 4.772 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1OC 2330718382 PRZPEYDXVHRWQF-UHFFFAOYSA-N 440.492 4.713 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2[C@@H]2CCCO2)c1 2330894240 UZYHSJIDCLFUDL-NRFANRHFSA-N 449.580 4.668 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2c[nH]c3ccccc23)cc1 2331124114 UACFHTJTJQWZOZ-UHFFFAOYSA-N 446.414 4.861 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)C1(c2ccc3c(c2)OCO3)CC1 2331183834 SPBLTVXIIPWSGF-UHFFFAOYSA-N 442.467 4.957 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)c1 2331187608 HKGCNCLLAYGKNA-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1sccc1C 2331320034 DETMLFSFSVJXOD-UHFFFAOYSA-N 431.562 4.743 30 10 IJEE C=CCN(CC[C@@H](N)CCc1ccc(OC)cc1Br)C(=O)OC(C)(C)C 2339388800 AMSXWMGDELVNJZ-INIZCTEOSA-N 427.383 4.531 30 10 IJEE C[C@@H]1[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339593134 BAKRUIKEEKSDNR-DEWHONNTSA-N 443.397 4.926 30 10 IJEE C[C@@H]1[C@@H](C)N(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339601205 VVLMNSGWZRXURN-CONOYDDESA-N 443.397 4.560 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)CCCSc3ccc(F)cc3)c2C#N)C1 9909389 YEYQIOYZVVDTRJ-UHFFFAOYSA-N 447.557 4.784 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470879 GXQNYXQETXPZMF-XFQAVAEZSA-N 445.928 4.539 30 10 IJEE COc1ccc(Br)cc1/C=C1/Oc2cc(OC(=O)c3ccco3)ccc2C1=O 33757926 ZACQNBABBIZZSN-VXLYETTFSA-N 441.233 4.886 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)c2ccccc21 41291601 GPPYNUHBDQIVED-MYKKPKGFSA-N 439.423 4.742 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2O)c1 169931989 VNMWIDAGOFVFJM-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1O 169942744 NULHBOJFMAFUEU-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 169962111 KCXFKWAKGYPEBP-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2cccs2)cc1 169989175 NNPMYCQMMYQMDJ-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1ccncc1 170021423 YYOWYFHCYKPPHV-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170055251 MMSYOGGXBPPRFN-HSZRJFAPSA-N 431.463 4.655 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2C)s1 170087414 RQEABZLJQOFSTK-OAQYLSRUSA-N 447.560 4.917 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)c1 170163093 QRWQJLLRFWQZMG-NRFANRHFSA-N 434.517 4.709 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccccn1 170168850 OCEKGSWSTZRHQB-QFIPXVFZSA-N 436.552 4.691 30 10 IJEE NC1=C(c2nc3cc(N4CCCCC4)ccc3[nH]2)C(=O)CN1c1cc(Cl)cc(Cl)c1 170178591 SWSWWGYLCZCSIU-UHFFFAOYSA-N 442.350 4.577 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)ccc1Cl 170183016 BDPNRUSCYKBAMP-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccnc2)cc1C 170189774 QAIVBXPRICLRLT-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170206619 DLZWFKNVVDQENX-OAQYLSRUSA-N 432.382 4.889 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(OCC)cc1 170214040 IQRZPJQHSJCQBH-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)c(OCC)c1 170286243 FLTGTXFEERKIFF-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)c1 170290364 MIEIADOCSMURDI-FQEVSTJZSA-N 425.387 4.739 30 10 IJEE Cn1c(N)c(-c2nc3ccccc3n2C)s/c1=N\C(=Nc1ccccc1)c1ccccc1 252445371 CHAWCYLJJHSGTH-YXVCPUKLSA-N 438.560 4.902 30 10 IJEE COc1ccc(C=Nc2n[nH]c(Nc3ccccc3)c2-c2nnc3n2CCCCC3)cc1 254667960 KBOWQHXJPQDLAN-UHFFFAOYSA-N 427.512 4.897 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)Cn1c(-c2scnc2C)nc2ccccc21 463413837 DMCAWUUROPISIP-UHFFFAOYSA-N 429.549 4.779 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 482562369 XYBVGRJGMVKELI-KRWDZBQOSA-N 433.394 4.945 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(Br)c1 526803182 QZWARMVIHKGFQX-JJFYIABZSA-N 449.349 4.925 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OC)c1OC 526825611 GRXOQPDWBIUBMO-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 526828429 CRGKKTQXCOMUSO-UUYOSTAYSA-N 445.932 4.975 30 10 IJEE COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC1CCCC1 538149978 GPIFAXCARNBJJT-HOTGVXAUSA-N 425.529 4.776 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1C#N 539217339 LMIDMZHDFMZXAD-HNNXBMFYSA-N 441.862 4.934 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(c2cnn(C)c2)CC1 549219565 LXNQJXYCBDYXGR-QGZVFWFLSA-N 440.979 4.765 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]1c1ccco1 562024274 HRASOXRTJYONID-MRXNPFEDSA-N 429.318 4.837 30 10 IJEE Cc1cc(C)cc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)c1 586311177 WCDPAWWICGMKEC-UHFFFAOYSA-N 448.544 4.998 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 610304474 IWOLXAQGVCLILX-VWLOTQADSA-N 436.515 4.585 30 10 IJEE O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCOc2cccc(F)c2C1 670108163 CJESTJNJGMPCOM-GDNZZTSVSA-N 428.348 4.639 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 670232016 YXNWBDZJZVAALN-SFHVURJKSA-N 438.494 4.953 30 10 IJEE C#CCCCCC[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 686707290 DDUKHAXDUAQHGD-JYFHCDHNSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698447049 RTKCFJUHSJBICV-OETAKHSWSA-N 427.545 4.966 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 743092760 CNQKJILCKDPVCD-FGZHOGPDSA-N 434.540 4.863 30 10 IJEE Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)CCC2=O)cc1C 760968609 LCJHHHNGBVXMBC-FUHWJXTLSA-N 436.462 4.668 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(O)ccc4ccccc34)n2)cc1 1084325513 MECLJGNZMHDLSX-UHFFFAOYSA-N 446.536 4.539 30 10 IJEE Cc1cc(C=Nc2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084497783 BHGAMNFAXWSRBS-UHFFFAOYSA-N 440.839 4.593 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C)Cc2ccc(OC)cc2)s1 1127605901 FMTOPQIBAXEDDH-ZDUSSCGKSA-N 425.019 4.842 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cccn(Cc3ccccc3)c2=O)C(C)(C)C)cc1 1128251557 CZDSBEZNWIQLLU-UHFFFAOYSA-N 430.548 4.902 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)C(F)(F)F)cc1 1128972258 XTCQLEIEIOJOLS-FQEVSTJZSA-N 432.373 4.945 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(Br)cc1 1129731136 QLBJIRROIWLDKS-LJQANCHMSA-N 446.304 4.999 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(C(C)=O)c(Cl)c2)nnc1-c1ccco1 1133947650 SRFOWXDKRZMVTA-UHFFFAOYSA-N 431.901 4.668 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)n1 1139833525 MEFJZFRCOKPMIL-UHFFFAOYSA-N 426.442 4.941 30 10 IJEE C[C@@](O)(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 1142543865 GQXJMLHNSPIHNG-NRFANRHFSA-N 427.382 4.611 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)c1ccccc1 1150443513 OGMNLPGHYHOEEZ-OAQYLSRUSA-N 430.470 4.626 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1)C(=O)OC 1155466913 NKNGTMXOCGOVCG-QFIPXVFZSA-N 435.499 4.615 30 10 IJEE C=CCn1c(SCC2(CC(=O)OC)CC2)nc2sc(-c3ccccc3)cc2c1=O 1165434579 SSMRQFBPRBTLIU-UHFFFAOYSA-N 426.563 4.746 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(-c3csc(C)n3)c2)CCCN1C(=O)OC(C)(C)C 1184100528 GQVSWNAQEVMUSO-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 1209117431 MKIUDRWUHJAGBG-HKUYNNGSSA-N 443.512 4.566 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)[C@H](OC3CCOCC3)c3ccccc3)cc21 1209767041 BCDHYKNSZKTSHU-KOSHJBKYSA-N 434.540 4.669 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cs1)c1ccc(C(F)(F)F)cc1 1211149309 WNYLFWYEAAWKER-HNNXBMFYSA-N 433.473 4.539 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C)c1ccc(C(F)(F)F)cc1 1222101973 LVWYWYHIAYGOMJ-MDZRGWNJSA-N 425.495 4.801 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)c1ccccc1 1224521379 GFBMWSZNZSEVLO-IERDGZPVSA-N 449.364 4.746 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1286317206 PJTFIYUHLYHWNS-XZOQPEGZSA-N 431.584 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1286431384 WXNPCQXAYBBWHC-AOYPEHQESA-N 430.596 4.642 30 10 IJEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1286607314 OIHUJPFOBQCJLK-UHFFFAOYSA-N 440.979 4.600 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2sccc2C)CC1 1286655453 PXJLRBPUFADPQH-UHFFFAOYSA-N 438.597 4.977 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2nc(C(F)(F)F)cs2)CC1 1286664681 ATHDYHHUXHWPNQ-UHFFFAOYSA-N 425.524 4.937 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC(C)C)CC1 1286666188 BRHSFYNZQQXYEG-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1286675766 SEDQHPINYYRPOC-ROUUACIJSA-N 425.602 4.661 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1286690185 MXTNATRISZIZPT-GHTZIAJQSA-N 439.560 4.640 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H](C)C1 1286741642 BJBYUSNJFSRCPT-DENIHFKCSA-N 431.540 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1286747888 OMUFRNLJLBSVBD-UXHICEINSA-N 438.645 4.658 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H]1CCOC1 1286763879 XFDUQIVYPUCJEH-KRWDZBQOSA-N 444.938 4.992 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1286771142 YNODWOLMSRQCSP-SFHVURJKSA-N 432.012 4.816 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)c(C)c2c1 1287730513 RFDGKPDGWGZJKV-UHFFFAOYSA-N 430.504 4.570 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCCCC2)c1C 1289092393 GZZZUHAVBRTCED-KNQAVFIVSA-N 438.620 4.507 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1290123370 BJYCGKHXBPESDP-YZIHRLCOSA-N 434.632 4.752 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1300353409 KMPGAFWTQSRTRT-UHFFFAOYSA-N 431.437 4.938 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1300747230 ZDINFVGOQWGTNH-JOCHJYFZSA-N 433.021 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC[C@@H](C)c1ccc(OC)cc1 1300807491 LTCRCSWRECBFAF-IQGLISFBSA-N 449.624 4.828 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1300843145 CGWMNKFJBSZSPI-WBVHZDCISA-N 435.366 4.578 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCCn1nc(C)cc1C 1300921598 TZDZMOAAPQEJLW-UHFFFAOYSA-N 431.588 4.587 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOCCCC)CC1 1301075891 SEZMERRJSXAAJI-UHFFFAOYSA-N 433.394 4.989 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccco1)C(C)C 1301530265 XGMRMUIZHWQYFO-NRFANRHFSA-N 436.556 4.793 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1301542837 RXMLIBFQNICKLJ-TXPKVOOTSA-N 448.970 4.723 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CCOC2(CCCCC2)C1 1301617508 FOFKIPJFUQCQRO-UHFFFAOYSA-N 440.657 4.912 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@H](c1cccc(F)c1)N(C)C 1303063378 GBWYVPIINNHSMY-OAQYLSRUSA-N 428.600 4.784 30 10 IJEE C[C@@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1cccc(C#N)c1 1303622186 HKGLPTBWEWQSRI-IIBYNOLFSA-N 433.508 4.618 30 10 IJEE C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)Oc1ccc(F)cc1 1303734334 GOXZBLMUMOARAY-GOSISDBHSA-N 425.552 4.747 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H](C)C#N)s1 1304348341 GXTHTVKXNKKODE-ZDUSSCGKSA-N 430.375 4.722 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)N2CCC(C)CC2)cc1 1304431461 GVEQGGAQFLBWES-RTWAWAEBSA-N 440.661 4.738 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1 1307364478 HTWBNPPBFUJTGO-UHFFFAOYSA-N 435.789 4.805 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2COc3cc(OC)ccc3C2)cc1OCC 1308361006 UMBZBTXUMUPACV-KRWDZBQOSA-N 448.357 4.515 30 10 IJEE C#CCN(C(=O)N[C@H](C)Cc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1311793418 STGVBBRILPLWBQ-UTKZUKDTSA-N 441.369 4.857 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1313770817 ICAFJVLEHXRWDA-HSZRJFAPSA-N 434.632 4.811 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CC1 1315238610 GZXLTAYLBVTEAS-RCZVLFRGSA-N 437.588 4.561 30 10 IJEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(OC)CC1 1315757444 FEXKDXRIUNHONP-VWLOTQADSA-N 439.604 4.665 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@H]2CCc3ccccc3C2)c(C(=O)OCC)c1C 1352312851 XZIYBMRBRZHJSA-INIZCTEOSA-N 441.549 4.710 30 10 IJEE C#CCCOc1ccc(C(=O)N(CC=C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1355132660 XAIRKSZQFOPRQC-UHFFFAOYSA-N 433.489 4.953 30 10 IJEE C=CC[C@@]1(C(=O)N(C)CCCOc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1356285153 LVLBYQPQXRYSRY-QHCPKHFHSA-N 436.980 4.913 30 10 IJEE C=CCN(C(=O)c1ccc2cnccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1356598348 RTNFBBICLJKYEJ-UHFFFAOYSA-N 449.557 4.595 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 1357323196 ITHZEJCKRIHABF-UKTHLTGXSA-N 439.467 4.687 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(F)c(I)c2)c1 1358370398 JZCZPNFMBLFONM-UHFFFAOYSA-N 445.231 4.852 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1358910530 SMNXYUZSVBQGAD-JOCHJYFZSA-N 435.959 4.683 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ncc(C)s2)CC1 1358914731 FGCUTUJYRHQIDV-UHFFFAOYSA-N 440.642 4.586 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCSC(C)C 1358985816 HWNOAABULNFRFM-GOSISDBHSA-N 431.005 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359093781 SKYIZUNQWCCAPP-OFCAXSSNSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCC(F)(F)F 1359102269 ZISZIFACBXJNQH-IIBYNOLFSA-N 447.505 4.720 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 1359104690 FCNSESIKVPXOBA-USWKJHDZSA-N 442.648 4.970 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1359197720 XYLSAIUBALMZDK-KRWDZBQOSA-N 434.519 4.545 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1[C@H]2CCC[C@H]12 1359203287 MFTATSJKIBHLJE-PMACEKPBSA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CCC(=O)N1CCCCCC1 1359259651 COOITIYMLLEUPP-UHFFFAOYSA-N 441.595 4.700 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cnc2ccccc21 1359274459 OGEBQUQOUZJXDF-NFBKMPQASA-N 448.615 4.815 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1359339535 IQONCXLSGKMXQO-UHFFFAOYSA-N 449.624 4.924 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 1451186384 WVYAGKLMOYCFPQ-UHFFFAOYSA-N 425.282 4.825 30 10 IJEE COc1ccc(CN(CCCO)C(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 1456921584 BEHOLOUAJRQNPB-UHFFFAOYSA-N 432.545 4.743 30 10 IJEE C=CCn1c(S[C@H](CC(C)(C)C)C(=O)OC)nnc1-c1ccc(Br)cc1 1458828486 LAWMFECLXUGVEI-OAHLLOKOSA-N 438.391 4.964 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 1459632200 PDLYMRPIICMHJN-YKSBVNFPSA-N 435.955 4.963 30 10 IJEE CC(NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)(c1ccccc1)c1ccccc1 1463058428 HLVGSHPONFCHAO-UHFFFAOYSA-N 430.451 4.819 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 1465340549 QHEXAJMSTPHRCF-SFHVURJKSA-N 447.366 4.700 30 10 IJEE C[C@H]1CCCN(Cc2ccccc2CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 1467866008 ANFOGOGMHSNNIU-NRFANRHFSA-N 430.596 4.879 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CC)C1 1468779003 BUHOTULTNIHOKW-HSZRJFAPSA-N 438.955 4.905 30 10 IJEE C#CC[C@@H]1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1470368434 LUGGKIRIGFKXIO-VQIMIIECSA-N 427.545 4.691 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](Cc3nc(C)cs3)C2)CCCN1C(=O)OC(C)(C)C 1471917324 QSNBSVDWBZIUDW-FDDCHVKYSA-N 433.618 4.578 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)C1 1476005505 AFVLYFYPRWGUHO-HNNXBMFYSA-N 449.370 4.712 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@]12CCCO2 1476017121 FGWBFDMMNGTCRU-QZNHQXDQSA-N 441.915 4.852 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C 1478806564 HPQNEYFADWCSOX-DNRQZRRGSA-N 427.589 4.653 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(C)OCCc2sccc21 1507527704 KSBWZEKMPDHSJC-NYHFZMIOSA-N 426.973 4.606 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@](C)(O)C1CCCCC1 1507699802 KVZJIBJOUZDOBX-UQBPGWFLSA-N 426.580 4.902 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CCC(=O)Nc1cccc(Cl)c1C 1507761640 NFWPLPQKLSHSDG-QMHKHESXSA-N 427.980 4.774 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCCN(C)C1CCCCC1 1507765484 AKKUQSYRBXWKFF-AREMUKBSSA-N 435.616 4.600 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cnc(C)s1 1507798503 VSEBRZLPJRPZLH-OXQOHEQNSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)C[C@@H](C)C1 1507806159 RLCQGYSDGSTSFN-NWFVXXGESA-N 430.543 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cc(Cl)c2c(c1)OCCO2 1507818362 WIKWBKWRPYAMPC-UHFFFAOYSA-N 439.947 4.524 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 1507846400 KTHIWMDMESXVQD-UHFFFAOYSA-N 440.485 4.770 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1507922869 IPKCZTAFTULRDJ-UHFFFAOYSA-N 446.599 4.558 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@H]1C 1507925743 JYFYKIXHTWYROW-ZWKOTPCHSA-N 444.649 4.528 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnc(C)s1 1507935946 WZUZCDCQNRXESN-FQEVSTJZSA-N 425.558 4.548 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1507944621 UBVOOXXMVRMIKC-QFBILLFUSA-N 443.548 4.558 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCCC2(CCCC2)C1 1507966914 ZFQZQSNLHDBKNW-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507999089 IUMGKJAWEKXXCA-LADGPHEKSA-N 444.583 4.789 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cnc(C)s2)C1 1508116508 JRYAGJDTGMIZBP-FQEVSTJZSA-N 437.613 4.837 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1nccs1 1509542731 FGOJULMZAPSHIJ-UHFFFAOYSA-N 434.594 4.992 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)CC1 1515210814 HQWOEWQKRBNYPL-OAQYLSRUSA-N 427.618 4.744 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N1CCCC1 1517079413 AOVQWTNOQHTXIN-OAQYLSRUSA-N 432.572 4.729 30 10 IJEE Cc1ccc(Sc2ncccc2C(=O)N2CCN(c3ccccc3C#N)CC2)c(C)c1 1520030839 DJLHKNLKPJPRKM-UHFFFAOYSA-N 428.561 4.684 30 10 IJEE COc1cc([C@@H](C)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)ccc1OCc1ccncc1 1525877160 FHRCELRZKKRMAB-RTBURBONSA-N 429.520 4.597 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2ccc(OC)cc2)on1 1528415842 MMRPAZUWHSPDJM-UHFFFAOYSA-N 429.270 4.930 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@]2(C)C[C@]2(F)Cl)nnc1-c1ccc(Cl)cc1 1531574144 YCBRVUKIJNSUKX-RTBURBONSA-N 443.375 4.698 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cncc(Br)c2C)s1 1536527934 AVWGHWHSXPXECY-UHFFFAOYSA-N 432.796 4.943 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)cc1OC 1536805423 GXRLAHNDDRIOEL-TZSZMTFGSA-N 434.580 4.786 30 10 IJEE C=CCN(C(=O)c1cccc(Br)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1538618456 KORQSMGDHKFZIM-HXUWFJFHSA-N 430.342 4.560 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCCCO1 1539049304 KIUUQZOCGQYKAR-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(OC(F)F)c(Br)c1)c1ccccc1 1539186252 NIMDGHALNXECKP-VWLOTQADSA-N 430.270 4.904 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC[C@@H](C)C1 1539359684 OGOLSQQVNIVJKG-CVEARBPZSA-N 431.378 4.612 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1csc(C)c1 1539399160 DRRDCQKAORXTNU-MRXNPFEDSA-N 440.638 4.636 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539602866 BLBJMCBQPLDQLU-CYBMUJFWSA-N 435.313 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1539902976 PVQZTUXUOMLTJE-UHFFFAOYSA-N 445.995 4.774 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)C(F)(F)F 1540057897 MCCGAUZYUQXSRE-UHFFFAOYSA-N 426.483 4.952 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1csc(CC)n1 1540119535 LAOSYUWWDCKRMA-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Nc4ccccc4)cc3)CC2=O)cc1Cl 1540181124 HWGLOWQGEAHFPD-QGZVFWFLSA-N 430.895 4.947 30 10 IJEE C=C[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1 1540389365 JWGSGUSGQCZPIV-FQEVSTJZSA-N 436.533 4.713 30 10 IJEE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)CC2(C#N)CCCCC2)cc1 1544097839 DXNYQNVROFQZDS-LOSJGSFVSA-N 431.580 4.644 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1 1547280068 CTWYHVSPZHQIJW-UHFFFAOYSA-N 444.564 4.747 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC[C@@H](F)C1 1555544636 FLVYJSKHGCRESE-NHCUHLMSSA-N 437.519 4.509 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)C(C)C 1562313866 INIYDUUEVYNLNZ-QFIPXVFZSA-N 442.604 4.804 30 10 IJEE C#CCOc1ccccc1NC(=O)N1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC 1562640297 JAGSAXRWSNPPKY-VXKWHMMOSA-N 449.551 4.742 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)cc2n1 1563300500 OENFNWGCMFIDIJ-MRXNPFEDSA-N 430.339 4.930 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(c2ccccc2Br)CC1 1564140195 BRJSNOYXKUVLBE-WIYYLYMNSA-N 438.369 4.962 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 1564304217 HVRKCNQIJDMKTH-UHFFFAOYSA-N 439.556 4.983 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@H](CCC)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1570816589 BVGAKALUBPHYJS-IBVKSMDESA-N 444.575 4.908 30 10 IJEE N#Cc1nc(NC(=O)c2cc3cc(Br)ccc3s2)ccc1Br 1584530393 GRUOGBUZWWHWOD-UHFFFAOYSA-N 437.116 4.945 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)[C@@H]1CCCO1 1585511127 CKHBXQSQROTDCG-UGKGYDQZSA-N 435.321 4.575 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nnn(-c3cccc4cnccc34)c2C)C(F)(F)F)cc1 1587315175 GTKOPFSCEGZUKA-OAQYLSRUSA-N 436.393 4.566 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1587777736 PKXKRERRIJKDET-JTHBVZDNSA-N 439.673 4.825 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCSC1 1588089004 FJMUPTRHMMWSAG-JOCHJYFZSA-N 443.620 4.569 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H](C)C#N 1589316571 DIGNWYGYOGHPAC-OLZOCXBDSA-N 434.407 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1589581358 RMVQWMXFXQFGLY-VWUIQGKGSA-N 430.637 4.804 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1593763275 FXRUFVIMCXNHIF-GOSISDBHSA-N 432.996 4.976 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCCCO)C1CC1)c1ccccc1 1593800302 MDSRBXXWODMBBI-DHIUTWEWSA-N 438.616 4.651 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1594229775 UJLXQEXWZUJTHK-VWLOTQADSA-N 444.627 4.916 30 10 IJEE C=CCCCn1c(N2CCC(NC(=O)CCC)CC2)nnc1C1(c2ccccc2)CCC1 1594774948 OVQTWIDZLPADGW-UHFFFAOYSA-N 435.616 4.599 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](CC)C1 1594788741 RYXPYTGDNXFFSD-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](c1ccccc1)N(C)C 1594907381 VEYCECSEJXJBNB-MRXNPFEDSA-N 446.418 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@@H]1C(C)C 1595196310 PINGPRFMHVVOMH-YLJYHZDGSA-N 445.405 4.947 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1595211647 GLVJEFUDIJQGOH-ICSRJNTNSA-N 429.609 4.760 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)C1CCCCC1 1595275770 OEEKDPJACOBJTQ-QHCPKHFHSA-N 432.996 4.569 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 1618002939 SRZRLXQZYBQQPU-AZUAARDMSA-N 444.620 4.681 30 10 IJEE CC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)c1 1621871262 XYVAGRMQISVKLS-UHFFFAOYSA-N 427.865 4.974 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)ccc2c1 1622096429 OOJDVTMYULTRAW-SFHVURJKSA-N 431.330 4.848 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)cc1 1625763664 WYGSJRZGOADTAT-UHFFFAOYSA-N 427.530 4.531 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1627776486 KTKXVXCUHRHIKR-KRWDZBQOSA-N 425.367 4.857 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)c1 1628034225 SZEMFXJKHRQUBU-UHFFFAOYSA-N 428.558 4.791 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCOc2c(Br)cccc2C1)c1ccc(F)c(F)c1 1634435400 MTPUEXVTKCPDMW-SFHVURJKSA-N 437.284 4.949 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)C1 1640187126 UVVBANNUBQYUAW-INIZCTEOSA-N 444.503 4.504 30 10 IJEE C=C(C)CCSc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1 1643353241 HMOQKPZSFVOKSE-UHFFFAOYSA-N 441.622 4.516 30 10 IJEE C#CC1(F)CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Br)cc23)C1 1644619267 VOABWZRMCVLXJH-UHFFFAOYSA-N 425.301 4.714 30 10 IJEE C=C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1)c1ccccc1 1651062310 OGQKXWZMIRKERP-DHIUTWEWSA-N 436.552 4.785 30 10 IJEE C=CCn1c(SC[C@H]2CC(C(=O)OC)=C(C)O2)nnc1-c1ccc(C(C)(C)C)cc1 1652411742 GSXWUTXLZVOHME-GOSISDBHSA-N 427.570 4.757 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(Cc2ccc3c(c2)CCO3)C2CCCC2)cc1C 1653307451 AKBBDTSCLYRPBN-UHFFFAOYSA-N 431.580 4.930 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OCCN2CC[C@@H](C)C2)cc1 1657336774 BCTZJIHNFNDQDR-GOSISDBHSA-N 443.385 4.794 30 10 IJEE C=CCOc1ccc(CNc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)cc1Cl 1657498927 OKTSJXQOWPWPIU-UHFFFAOYSA-N 435.851 4.819 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cc1 1661415172 RMJBIPNRJHDZSU-UHFFFAOYSA-N 448.588 4.522 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 1664491698 AYWGKQXEUAFRAZ-UHFFFAOYSA-N 440.975 4.559 30 10 IJEE COC(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 1668709156 BSUJWBLGPQCVJJ-UHFFFAOYSA-N 448.454 4.776 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)C(C)C 1668862247 BPYDASHXFALVJY-HXUWFJFHSA-N 434.556 4.993 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCCC[C@@H]3c3ccc(Cl)cc3)CC2)cn1 1672633010 BLQTVUQUJXAMFT-PKTZIBPZSA-N 437.975 4.555 30 10 IJEE C=CCOc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1 1674364350 GZPRIBCPQDXBEK-DEOSSOPVSA-N 447.604 4.912 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(c4ccc(Cl)c(F)c4)C[C@H]3C)cc2n1 1674577028 VQHPOSOEJHLFLU-OAHLLOKOSA-N 427.911 4.757 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1681283200 GJBXYHXOYVFROD-FQEVSTJZSA-N 435.531 4.690 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1681943421 JGNGLWLVUVFMNJ-IRLDBZIGSA-N 443.588 4.904 30 10 IJEE CC(C)[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(C)(C)C)cc1 1686239386 HFHURGSYQANTAH-BJKOFHAPSA-N 446.595 4.653 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](c1cccnc1)C(C)C 1690001351 JLFYFBADLPLAEU-JWQCQUIFSA-N 425.580 4.728 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1c(CC)noc1C 1690083590 JGHAQAXASYCFKY-UHFFFAOYSA-N 448.354 4.531 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCc1csc(CC)n1 1690088302 HZDZKZBGJSGQLZ-KRWDZBQOSA-N 425.577 4.832 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1690219564 HGIUCHXTMXJUAK-XIRDDKMYSA-N 449.393 4.960 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@H](C)[C@H]1C 1690237752 AHEVAXWTHBAUFF-CIWUYKSXSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccoc1C 1690253479 RBJGFWOFDZJCBQ-AUSIDOKSSA-N 440.519 4.515 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OC 1690607099 COTUBYVACJMPAV-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCN(C(C)(C)C)CC1 1690636386 XQOJLXKOMQNFJK-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C/C=C/CC)C1 1690689316 BITNHSODMMQYCF-IPLHWJFFSA-N 431.378 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)C1 1690689649 JACWUUQMVBUVCU-NNWRFLSQSA-N 445.007 4.831 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1693247789 FMOQRZGWPPUYNM-VANUSSGQSA-N 434.632 4.894 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)CC(C)(C)C1 1693830669 GFNHKVDQTOECLU-MRXNPFEDSA-N 435.494 4.944 30 10 IJEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(C)CC2)cc1Br 1697365447 CQKIQPUAAYENGO-UHFFFAOYSA-N 444.377 4.646 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC1(COC)CCCC1 1705502027 QSLMUGOZPVDZJR-SFHVURJKSA-N 430.980 4.565 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC)c1ccccc1 1705606164 NAEBQLXXVXKOIC-MRXNPFEDSA-N 426.362 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(C)CC1 1705703340 MQTKACJLJHNJJZ-XLIONFOSSA-N 445.405 4.925 30 10 IJEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1705725628 LNANZJFHRWYBBY-APWZRJJASA-N 439.585 4.891 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1705798578 WHFKGUWPHJZGPS-SYVJQLTCSA-N 438.616 4.915 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 1705814051 BMAXCOXJCSCAKK-KBPBESRZSA-N 439.785 4.941 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCN1CC)C1CC1 1705849243 HJRXGRBZYYPQSS-UYAOXDASSA-N 427.568 4.586 30 10 IJEE CC(C)c1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCC#N)CC2CC2)n1 1706267610 GHTFHRHZZGRDFB-UHFFFAOYSA-N 431.569 4.575 30 10 IJEE C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1)c1ccc(F)cc1 1706811881 DPFGAXNIQPKGRV-ZPMCFJSWSA-N 439.579 4.879 30 10 IJEE COC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)CC#N)CCCCC1 1711621235 AVBHCNVPAKYKJS-INIZCTEOSA-N 433.503 4.634 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H]2CCC[C@@H]2CC)c1 1722310489 WQKWDSJBYXMASQ-RBBKRZOGSA-N 433.600 4.818 30 10 IJEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1722337778 APWNDDGXPHQKQX-FQEVSTJZSA-N 449.624 4.716 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1CCC 1722406706 IRTKIBKIMZXLIL-TZIWHRDSSA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCn2cc(C)nc21 1722406995 LGCOIXAXXFFRLA-FGZHOGPDSA-N 446.599 4.577 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccsc1 1722419809 CLUHXOCQVKFTHF-DEOSSOPVSA-N 440.588 4.615 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C1CC1 1722488639 AIBYLOJIFDXQOI-UHFFFAOYSA-N 432.149 4.671 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2csc(CC)n2)CC1 1722561373 SFAMDDBYQRGOIR-UHFFFAOYSA-N 444.402 4.931 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cn(CCCC)nc2C)CC1 1722562745 KIOSEAZMDOLWNP-UHFFFAOYSA-N 425.968 4.503 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2csc([C@H](C)OC)n2)CC1 1722576229 DFMLGABWUROGSY-HNNXBMFYSA-N 427.549 4.699 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 1722596175 DMPWVMNYENDSBN-XQBPLPMBSA-N 444.645 4.553 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722620906 TVFUCZWCEIWKPZ-XLGIIRLISA-N 438.616 4.569 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@H]1C(C)C 1722642979 BULCDQHQEKBXDY-RDPSFJRHSA-N 426.605 4.972 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)nn(C)c1C)C1CC1 1722646669 KKUMOWMBPUDTFN-QGZVFWFLSA-N 440.979 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1nc(C(C)C)cs1 1722662091 DETRVRHXJJQYJK-UHFFFAOYSA-N 439.614 4.561 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(F)(F)F 1722676786 LFVKNRSAPXMSLA-INIZCTEOSA-N 426.483 4.589 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)CCCC1 1727358463 AIPCNXFIMLHHGK-UHFFFAOYSA-N 429.515 4.935 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1740645421 MXJSWIFPLZDSIW-JOCHJYFZSA-N 448.636 4.834 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(CC)[C@H](C)C1 1740780221 MBBYGRSVKFEGEC-QGZVFWFLSA-N 425.577 4.919 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCCc2nccs2)CC1 1740829596 ZIDXYJOQECUFIX-UHFFFAOYSA-N 439.585 4.502 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1740854445 OWIGOXBAYTUEIB-QFIPXVFZSA-N 430.600 4.621 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)(C)C)CC1 1740858170 KMIZXLYLPJZEBX-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@H]2C1 1740868050 CFKOICFPHCTIKZ-QUCCMNQESA-N 429.996 4.712 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC(C)(C)CN1CCCC1 1740917892 AOODGOMRGNJEGF-UHFFFAOYSA-N 444.627 4.963 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(F)ccc2C1)C(C)C 1740927895 YNWAYJIFUQBACM-XMMPIXPASA-N 448.590 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[C@](C)(CC)O2)C1 1740974072 INXXCLYZXWUASK-QTEQDKRBSA-N 430.980 4.728 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCC(F)(F)C1 1741801486 CSQJOWFCWXBIOJ-FUHIMQAGSA-N 445.514 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1748656259 OWQMNVAZRUUKRA-YHUYYLMFSA-N 431.353 4.741 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C)(COC)CC1 1748740248 PFEMQSBIFWQMNI-UHFFFAOYSA-N 448.567 4.783 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1748753799 VIRHRSFXUUWEDK-SFTDATJTSA-N 426.992 4.720 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCSC1(C)C 1748777298 HCMIXTONYYJXHJ-MRXNPFEDSA-N 433.419 4.617 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1749187698 YHCIBNHWPRVWFD-MOPGFXCFSA-N 434.588 4.827 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1749294071 MKMMUVOVLNTZGV-NRFANRHFSA-N 446.542 4.951 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2csc3ccccc23)CC1 1749328662 AFMJWOMPXWCMMR-QGZVFWFLSA-N 426.586 4.668 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(C)ccc2OC(F)F)CC1 1749342054 UVZNQZGPJBKFMR-SFHVURJKSA-N 432.515 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2ccc(O)cc2)CC1 1749370246 FUUCVBXQJHVZFI-UHFFFAOYSA-N 431.584 4.956 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1749381645 GDSVBJUDXCGVGS-NRFANRHFSA-N 439.604 4.819 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CCC1CCN(CC)CC1 1749546891 GBTXXOQSZLZNMU-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1760225318 MZVISGXJRZPVLH-WPYKKVEZSA-N 437.632 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(Cl)s1 1760299481 WCQSRHYYIJZMPU-RADWXHQJSA-N 433.021 4.952 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)CN1CCCC1 1760330576 IEHBTHBZZCULQD-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760349964 LLXODLZSYWYZBZ-KRWDZBQOSA-N 443.567 4.668 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCSC(C)C)CC1 1760387601 QLBQFJCSZNLHHQ-IBGZPJMESA-N 449.665 4.691 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1760393368 OTKBVPLOSXKNFH-NFBKMPQASA-N 440.588 4.617 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@]2(C)CCCO2)CC1 1760399448 NEAFFDMYJWKNQB-VWLOTQADSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)C 1760478025 RSRMMPRVAOWCDQ-URXFXBBRSA-N 449.599 4.926 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCN(C)c2ccccc2C1)C(C)C 1760487743 CSKXRSLIQVTDRT-XMMPIXPASA-N 436.648 4.557 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1ccc2c(n1)CCCC2 1760504122 LJEXSEUADDOIHZ-UHFFFAOYSA-N 437.975 4.559 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC(C)C)cc1 1760530463 PZJPSKNVIQXGOR-UHFFFAOYSA-N 444.377 4.741 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@@H](C)N1CCCCC1 1761531942 GLQNRABUFZNIQA-ZCNNSNEGSA-N 442.583 4.560 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)C)C1 1766795386 IBRGYQWXXCKUHC-LEWJYISDSA-N 427.618 4.600 30 10 IJEE CCCCOc1ccc(/C=C2\SC(=Nc3nnc(C)s3)N(CC)C2=O)cc1OC 1772740198 ZCNOLWWQZKMADX-VTPWGRHDSA-N 432.571 4.658 30 10 IJEE CCc1ccc(CCC(=O)N2CCOc3cc(NC(=O)c4cccc(C#N)c4)ccc32)cc1 1858479569 ORNPFFKYWYLMLS-UHFFFAOYSA-N 439.515 4.731 30 10 IJEE COc1ccc(Cl)cc1NC(=O)Oc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858912691 ARLXHXQBQJYLPU-UHFFFAOYSA-N 435.867 4.761 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)[C@@H](C)CC 1860944346 SSTPHNGMQUGPER-MBSDFSHPSA-N 444.595 4.847 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861073077 VASCRHPRWQLZQE-QGUORLBXSA-N 432.605 4.869 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccc(OCC(C)C)c1 1861761892 SGCAYUMZHDNSGU-UPVQGACJSA-N 446.632 4.554 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(O)c1 1862457538 RJPDKXHDNNQERA-ICNNEYJISA-N 445.437 4.967 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@H]2c2ccc(F)cc2)cc1 1862530525 RUDIXBXTDBYQCJ-QHCPKHFHSA-N 438.543 4.698 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862560185 BKFFFBKLTIZLIS-QHCPKHFHSA-N 441.531 4.740 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(O)c1 1862613634 LTWJONGUFRZLLU-JOCHJYFZSA-N 437.536 4.695 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862642948 RVTRDJDUSOAQNT-FQEVSTJZSA-N 442.443 4.511 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649950 KHEXEJGZYTWHPM-AUSIDOKSSA-N 431.463 4.736 30 10 IJEE COc1ccc(Cl)cc1C(=O)N[C@H](C(=O)N[C@H](C#N)c1ccc(C)cc1)c1ccccc1 1867609695 MXLNRYYWLSNPMC-GGAORHGYSA-N 447.922 4.509 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](NC(=O)c2c(F)cccc2Cl)c2ccccc2)cc1 1867931598 RHBRPYAJDZVAEK-IFMALSPDSA-N 435.886 4.640 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(n3cnnc3C)CC2)nc(-c2ccccc2Cl)n1 1869243751 ZEKTVTGQTMJZHO-UHFFFAOYSA-N 449.990 4.717 30 10 IJEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870809263 SITJRHRIEVDGAI-UHFFFAOYSA-N 437.471 4.683 30 10 IJEE C=CCOc1cn(CCCOC)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870810929 YPDIWLXYDWGFOZ-UHFFFAOYSA-N 434.536 4.641 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)c(F)c1 1871167932 RBZSLKBDEUXPHJ-UHFFFAOYSA-N 449.526 4.674 30 10 IJEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccncc2)c1 1871250751 UXHMDLBFZCNYSF-UHFFFAOYSA-N 436.515 4.663 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)c1OC 1871347102 YOPRRVNENCHZTG-FMCGGJTJSA-N 447.462 4.811 30 10 IJEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O 1871394473 ABOUJUHNPDKKMP-QRVIBDJDSA-N 441.524 4.656 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871416334 WVYAPKFGLVSDQZ-XKZIYDEJSA-N 445.427 4.885 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C(=O)O[C@H](C)CC)c2)[nH]1 1873469703 COLXAZPVASCDDB-QGZVFWFLSA-N 442.523 4.534 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1ccccc1F 1873518909 RNYFQLVEQFFCJB-UHFFFAOYSA-N 431.467 4.958 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCCCOCC)ncnc21 1873605033 GFUKYWDOOZLAHE-UHFFFAOYSA-N 431.899 4.501 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1873609562 IAAGZFDYCUJHMT-UHFFFAOYSA-N 445.498 4.672 30 10 IJEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874316276 LHEGPVGKIAAQAV-WGOQTCKBSA-N 435.528 4.931 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1O 1874439195 OYZVSQPKVUAABD-LPYMAVHISA-N 425.514 4.655 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1c(F)cccc1Cl 1874451602 HFULWGHCFSWHGR-FSJBWODESA-N 437.972 4.571 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2[C@@H]2CCCO2)c1 1874453430 JPPCAOXTWFHYLZ-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c(O)c1 1874461236 DCOHCUNUZMYIRB-GZIVZEMBSA-N 428.823 4.536 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1sccc1C 1874505015 MNCMRYJEGKJFNO-WSDLNYQXSA-N 427.599 4.830 30 10 IJEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2nc(O)c3ccccc3n2)cc1 1874533081 QUUXEUBALGEKNK-ZVHZXABRSA-N 448.552 4.589 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1OCC(=O)NCc1ccccc1 1874595973 CYOSWZLLNZGNRH-JLHYYAGUSA-N 429.516 4.903 30 10 IJEE O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@H](COc2ccnc(C(F)(F)F)c2)C1 1891381451 DUYVACKVMFYIKI-JTQLQIEISA-N 436.327 4.588 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1892137223 ZNCJEULGBMHPJC-LEWJYISDSA-N 427.957 4.552 30 10 IJEE C=C([C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922985443 LVHLWTUKLOZISZ-YADHBBJMSA-N 433.713 4.814 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CC(C)(C)[C@H]1OCc1ccccc1 1950375296 RGRXAILJDFLECY-BWKNWUBXSA-N 429.605 4.843 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)c1 2040723656 MOXZJCGOUBVTEI-UHFFFAOYSA-N 428.338 4.562 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048502636 AVZJXYWFCCFCIC-IAGOWNOFSA-N 430.770 4.621 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@]1(O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074134494 QNZGLFJRCLPYDI-GJZUVCINSA-N 444.616 4.552 30 10 IJEE CC(=O)Oc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1 2080102816 ZCVUHAGARLUIJI-HNNXBMFYSA-N 442.235 4.851 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1cc(Br)cc(F)c1C#N 2107452589 ZSLZBWCFMBQKSS-BLLLJJGKSA-N 426.330 4.955 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2116828378 IQOMQHWHPYZFNE-AEFFLSMTSA-N 427.358 4.854 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1cccc(I)c1 2235729950 UQNZGQZPKUIHEG-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@H]1CCCN1C(=O)OC(C)(C)C 2235734352 WMSRSOAXVTWBRG-RBUKOAKNSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CN(CCC(F)(F)F)C(=O)OC(C)(C)C 2235748273 YAVAVWUTWRRBSC-OAHLLOKOSA-N 449.311 4.578 30 10 IJEE C#CC[C@@H](C[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237415936 IDHCZAYONLUGCU-DFQSSKMNSA-N 435.406 4.652 30 10 IJEE Cc1ccc(I)c(C(=O)[C@@H](C#N)c2ccc(Br)cc2)c1 2240906744 YGDZKDBGRUAURQ-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C1CC1 2243924881 NFWMLQYFRYXQNK-VWLOTQADSA-N 445.563 4.844 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)c1ccc(Br)s1 2262200758 VCZAEPMKCJEJIS-LJQANCHMSA-N 425.344 4.990 30 10 IJEE CC1(C)OB(c2sccc2C(=O)NCc2ccc(OCc3ccccc3)cc2)OC1(C)C 2267173074 GSWNOPKJHWWEPQ-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2267555903 SWCAMOIXDZVXAC-SAABIXHNSA-N 444.381 4.831 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1COCC(F)(F)C(F)F 2294898605 ORYCRGSXTRJCRU-UHFFFAOYSA-N 440.389 4.780 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccco2)[C@H]1c1cccc(Oc2ccccc2)c1 2296102941 HTFOWIPLDZXGSL-JOCHJYFZSA-N 433.460 4.530 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCCCN1C(=O)OC(C)(C)C 2296292888 DCSDKGQZZWYXIB-UXHICEINSA-N 435.406 4.958 30 10 IJEE CCCOc1cc(Cl)c(C=C2SC(=Nc3ccc([N+](=O)[O-])cc3)NC2=O)cc1OC 2297365382 PFYBEADFTZPJSW-UHFFFAOYSA-N 447.900 4.937 30 10 IJEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)c1ccccc1 2314438589 YECUZLWOJIPHBG-DEOSSOPVSA-N 445.427 4.894 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2N[C@H]2CCCN(Cc3ccccc3)CC2)OC1(C)C 2317242781 LXXOAMRLBHRBAN-FQEVSTJZSA-N 441.812 4.501 30 10 IJEE C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN1C(=O)OC(C)(C)C 2317351394 HULWPMGTYOUDSY-AEFFLSMTSA-N 430.354 4.503 30 10 IJEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)c1OC 2321962112 NOJVFGGQQFNNOJ-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE CCn1cc(C=C2Oc3c(CN4C[C@H](C)O[C@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 2324017513 AWXPANBDUMLNCS-HDICACEKSA-N 446.547 4.901 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325118725 JAHZKRSLKZXBJP-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 2325628131 VMECOMPNKWWHFV-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(F)c(F)c1 2325721697 YFCZQYKDPYXCIK-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326238136 JKXUDSPTXJOLJU-UHFFFAOYSA-N 427.288 4.618 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 2326401329 PSNNHSKEJLFTNU-UHFFFAOYSA-N 439.541 4.939 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2N=Cc2cccc(C(F)(F)F)c2)o1 2326853968 IGJYTAFZRRFMFV-UHFFFAOYSA-N 438.431 4.630 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OC)c(OC)c1 2331183631 QRJIJGWEJNVJSH-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CC(C)(C)OC(=O)N1CC=CC[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339597949 WGSCKNSJNRHMLC-KQDNUWKFSA-N 442.365 4.671 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339606856 WRMSPFPNXINQJY-LSBLNMSNSA-N 441.381 4.538 30 10 IJEE CC(C)[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2341314688 KWECWINWRRLKRW-KQDNUWKFSA-N 446.397 4.997 30 10 IJEE CC#CCN(C[C@@H](Cc1cc(F)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 2363126876 APHZRFUWSHRNGF-LJQANCHMSA-N 441.385 4.759 30 10 IJEE Cc1cc(CSc2ccc(Br)cc2N)ccc1B1OC(C)(C)C(C)(C)O1 2369723950 JRJMULMPSAZMLP-UHFFFAOYSA-N 434.208 4.931 30 10 IJEE Cc1cc(C#N)ccc1COCc1ccc(I)c(Br)c1 2377639766 JOLVPZWEHQMIQB-UHFFFAOYSA-N 442.094 4.951 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)COc2cccc(C(C)C)c2)nc2ccccc12 12240145 UOODFPQMWGWNOK-UHFFFAOYSA-N 425.492 4.742 30 10 IJEE CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28053074 DIWVNHWYFWBXRO-QMHKHESXSA-N 432.476 4.751 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/CC/C(=C\c2cc(OC)c(OC)cc2OC)C1=O 33734575 GGSIOMFUVBGCAD-CKOAPEAFSA-N 440.492 4.568 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C/c2ccc(N(C)C)cc2)C1=O 36301331 LOORAOMZQOZYDN-HMMYKYKNSA-N 438.549 4.695 30 10 IJEE C=CCc1ccc(OCCCCn2c(CCNC(=O)CC)nc3ccccc32)c(OC)c1 40197716 JLBRFVUDKXLJTG-UHFFFAOYSA-N 435.568 4.701 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)cc1 41284200 WNRMYCHLIOSIBU-HMAPJEAMSA-N 428.440 4.925 30 10 IJEE COc1cc(/C=C2/S/C(=N/c3cccc(Br)c3)NC2=O)cc(Cl)c1O 96473003 JRIGJUAOAUGKDS-VGOFMYFVSA-N 439.718 4.708 30 10 IJEE COc1ccccc1Cc1nc2sc3c(c2c(=O)n1Cc1cccc(C#N)c1)CCCC3 96533702 KQGCVKMCDWLWDM-UHFFFAOYSA-N 441.556 4.856 30 10 IJEE CN(Cc1cc(C#N)ccc1F)C(=O)c1cc(Br)c(Br)s1 97028995 SLDNWPGZZDJCHV-UHFFFAOYSA-N 432.112 4.556 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1C 98078977 UAAXCGHFXJWHKU-UHFFFAOYSA-N 437.499 4.660 30 10 IJEE COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc([N+](=O)[O-])c1O 100296609 DLPPVOXNNQLABK-PIJRJAKLSA-N 439.493 4.856 30 10 IJEE CCCCCCCCC(=O)N(CCCOC)CC(=O)N(CCCC)Cc1cccn1C 102995675 OSYQJEZHRMUCDE-UHFFFAOYSA-N 435.653 4.770 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 169927553 AHFQTVYUZDWLQZ-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2)c1 169931039 HUZOQTNKNLBQBI-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2OC)cc1 169939652 WLRYSOJEMAPXMJ-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2F)cc1C 170071498 QBXWRBZZGHFOEO-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(N(CC)CC)cc1 170138781 SQFIHVQDUHTLSB-HSZRJFAPSA-N 436.552 4.920 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1OC 170140533 FEQQHUXZJWUNKD-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccs2)c1 170154886 XMCPSNBZJFCKTF-HXUWFJFHSA-N 429.538 4.540 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)ccc1Cl 170161841 HTJHTZFHEQFOGS-AUUYWEPGSA-N 447.940 4.558 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccnc2)c1 170187548 HFDTWNAWCBOFJZ-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)cc1C 170248984 FEOSRTPIQDDYCC-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170250140 UTHGIPQFTQINIU-GAJHUEQPSA-N 431.463 4.736 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 170252158 GMPRCYXVEHQKBN-QHCPKHFHSA-N 432.495 4.509 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(CC)cc2)cc1C 170266983 JPBISFBMXLCTFR-HSZRJFAPSA-N 437.536 4.571 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCOC(C)C 170270565 OGTZGEMLJOCADZ-QHCPKHFHSA-N 437.536 4.786 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2sc(C)c(C)c2c1=O 253592718 XTRHEEIUGDFAEQ-SRVCANOKSA-N 445.654 4.682 30 10 IJEE COc1ccc2c(c1)N(C)/C(=C1\SC(=Nc3cccc4ncccc34)N(C)C1=O)S2 254485852 OINHRKULVZOCGK-SKGRIUKPSA-N 434.546 4.847 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc([N+](=O)[O-])cc2)cc1OC 254617926 YEDHWMAWRKKQDO-UHFFFAOYSA-N 443.463 4.911 30 10 IJEE CCCCCCCNC(=O)c1c(N)n(N=Cc2ccccc2)c2nc3ccccc3nc12 254792320 PCXPCKLIAGBMRT-UHFFFAOYSA-N 428.540 4.749 30 10 IJEE Cc1ccc(N=C2C(=O)N(CN3CCN(Cc4ccccc4)CC3)c3ccccc32)cc1C 254870859 IAYXEBWTZVCVRH-UHFFFAOYSA-N 438.575 4.546 30 10 IJEE O=C(c1cc(F)ccc1O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436823532 BOYKPLYIJSVEET-INIZCTEOSA-N 437.311 4.783 30 10 IJEE FC(F)C(F)(F)COCc1noc(-c2cc(OCC(F)(F)F)c3ccccc3n2)n1 445762845 AWMMRIPIUZAZLB-UHFFFAOYSA-N 439.287 4.643 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 460958280 KDFLOOSLHLFLDX-UHFFFAOYSA-N 431.584 4.754 30 10 IJEE C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 478999394 VDWBOAJSWSESAW-LZGLPUDESA-N 443.934 4.984 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccncc3)cc2)cc1 490043476 CEFOVIDYEUDRBB-RUZDIDTESA-N 448.482 4.590 30 10 IJEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 508725013 WTKIDDBPGHVZSO-SFHVURJKSA-N 439.585 4.509 30 10 IJEE C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 508748813 SPZUWVIUNGPUCU-IBGZPJMESA-N 447.587 4.806 30 10 IJEE Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 511016106 QEZUZYOQIZMCDC-UHFFFAOYSA-N 432.549 4.743 30 10 IJEE C[C@H](N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1F 512665501 GGVWLZRBZVXJKD-NPMXOYFQSA-N 426.488 4.680 30 10 IJEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3F)C2=O)cc1 526660250 HLRYNYHBEMSHIU-UHFFFAOYSA-N 429.476 4.995 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1OC 526803914 VIYLZIIFJLQDGB-CFRMEGHHSA-N 426.542 4.567 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1c(F)cccc1Cl 526826120 KNNIVQURCWXQPA-KSEXSDGBSA-N 432.908 4.594 30 10 IJEE C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-n2cccn2)cc1 538235155 AWPFIROBRWABKN-KRWDZBQOSA-N 433.581 4.754 30 10 IJEE Cc1nc(O)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1-c1ccccc1 543929690 TZNSEBPUBUBLMZ-UHFFFAOYSA-N 429.867 4.726 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(NC(=O)CCCCC)CC1 549250548 FBUMTOZWETYKCO-UHFFFAOYSA-N 427.568 4.634 30 10 IJEE C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[S@@](=O)C(CC)(CC)C1 573147575 DBZSBCLSSCNMNF-WJOKGBTCSA-N 437.613 4.505 30 10 IJEE C#CCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586257298 YTXAGIXUJOLWOE-UHFFFAOYSA-N 426.582 4.539 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc(Cl)n1 586260906 UWUYGOKYHLPQRW-UHFFFAOYSA-N 448.331 4.664 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)C2CN(C(=O)OC(C)(C)C)C2)cc1 686263230 JKISRLPEELAAFV-HSZRJFAPSA-N 431.533 4.586 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/NC4(CCCC4)CCS3)COC2)cc1 687324999 LWSDTLCUEUQXEH-UHFFFAOYSA-N 435.637 4.853 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)[C@@H](C#N)c1c(Br)cncc1Br 698827740 YDSGAHFFRWDQPI-ZDUSSCGKSA-N 445.155 4.818 30 10 IJEE C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)N[C@@H](C)c1cc2ccccc2o1 758121275 CVDGLZNIPMQJNK-STQMWFEESA-N 430.382 4.746 30 10 IJEE Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)ccc1NC(=O)c1cccs1 759207640 VHAULBTXRHIXKV-OAHLLOKOSA-N 437.908 4.923 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(F)cc3OCC#N)c2C)cc1Cl 760784183 REHHGQWLEPMFAU-UHFFFAOYSA-N 426.879 4.674 30 10 IJEE C[C@@H]1CCCC[C@@H]1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl 762439034 CMLZOOXJFXFUQD-PBHICJAKSA-O 428.965 4.584 30 10 IJEE C[C@H](CSCc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 773218880 GQYWSYXLCXQYON-HUUCEWRRSA-N 428.579 4.548 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 1125270046 ZWIUKPRQUGHXKY-IBGZPJMESA-N 433.426 4.621 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cc(C(F)(F)F)ccc2s1 1125870148 BAAFKRPLJDFBSS-UHFFFAOYSA-N 431.483 4.996 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@@H]2CC2(Cl)Cl)nnc1-c1ccc(Cl)cc1 1131354398 CFXFZFSEHMLPGS-CYBMUJFWSA-N 445.803 4.577 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCCOc3c(OC)cccc32)s1 1133243752 ULLHNOHXWMPSMK-OAHLLOKOSA-N 439.002 4.877 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 1136098014 YFHZUFNCEZYKFP-UHFFFAOYSA-N 432.318 4.553 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1139595161 VNUJAHVAQHJZJB-JOCHJYFZSA-N 440.609 4.643 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1143068540 SNPJGWQVIQKDFE-PIIWDFAUSA-N 444.575 4.956 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1170311262 QQJPMYLHAOMMGW-OALUTQOASA-N 429.948 4.622 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(Br)c(Cl)c2)cc1 1179550310 OSOYTIXIKCFNJQ-UHFFFAOYSA-N 429.767 4.521 30 10 IJEE C[C@@]1(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC(c2ccccc2Cl)=NO1 1182228838 DCOKLFJGWWHGKD-QFIPXVFZSA-N 436.924 4.781 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H]1CCN(C2CCCCC2)C1=O 1188283125 VNBMINZVXFISOI-IBGZPJMESA-N 447.004 4.722 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CCCC1(C)C 1189785963 YVYGEIRHKRPWGL-JXFKEZNVSA-N 427.994 4.511 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2ccccc2C(F)(F)F)C2CCCC2)c1 1190904416 LURSPVIOGRHUTC-UHFFFAOYSA-N 443.469 4.780 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)N[C@H](CCc3ccccc3)C(F)F)CC2)c(F)c1 1208789541 DQGBMHWIHXXLPI-HXUWFJFHSA-N 431.458 4.517 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(OC(F)F)c(F)c3)cn2)cc1 1214623137 BSPVVLAMGSIUFA-UHFFFAOYSA-N 428.370 4.808 30 10 IJEE CC(=O)N(c1ccc(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1)[C@H]1C[C@@H]1C 1218460537 WJSBOCAYRSESPM-QTJFZDIUSA-N 430.430 4.745 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1 1230625040 NDMMJVLOPVESQF-NQIIRXRSSA-N 431.374 4.607 30 10 IJEE C=CCCC(C)(C)CNC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1234238885 XAEQLFDBPXPBHG-KRWDZBQOSA-N 426.401 4.747 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] 1264905570 CESFRWCSKBSDCH-UHFFFAOYSA-N 439.256 4.783 30 10 IJEE C#CCN(C(=O)/C(C)=C/c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1265210993 YDXRXBVIAMNKRF-UPTIQUDWSA-N 428.301 4.977 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1265894671 ZUAWYPCSZVSUHD-LJQANCHMSA-N 441.753 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)CC[C@H]1C 1286562918 HOWPPZPHTVQHCR-SJHHWCTQSA-N 438.616 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CCc2cccc(F)c2)C2CC2)nnc1C(C)(C)C 1286568818 YMPNFOQVINIGDU-KNQAVFIVSA-N 426.580 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCCCCC1 1286583146 JOBCAZZUZOGEPP-UHFFFAOYSA-N 426.605 4.962 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@H](SCC)C1 1286604082 OGROJKFNWQFPJI-NRFANRHFSA-N 430.618 4.658 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1286650093 XGCPNYZCEGWDNV-WMZHIEFXSA-N 442.579 4.994 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1cscn1)c1ccccc1 1286678773 DNKVCNQLQAOARN-HXUWFJFHSA-N 430.581 4.717 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1286708997 VUBIVKCAZDYPES-OALUTQOASA-N 437.613 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C)cs1 1286753556 DSKPVMROQSTTQC-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCN(CC)C(=O)OC(C)(C)C 1286762206 CEYVDXIMNKBTCF-UHFFFAOYSA-N 445.608 4.661 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN(C)C2CCCCC2)C1 1286802156 PCZLMNNFQMQRHZ-XMMPIXPASA-N 437.632 4.553 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccn1 1290510073 HWRIQHTWBNDOGN-HSZRJFAPSA-N 427.504 4.894 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 1299726364 SCNKYVTVTAOFLK-IBGZPJMESA-N 435.590 4.768 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1300282896 KCCJEQQNUUGDCP-OKYOBFRVSA-N 426.630 4.937 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300365943 BTGYXURFVLSNEU-SFHVURJKSA-N 430.543 4.735 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](c1cccs1)N(C)C 1300557212 QTVVUVSPRYXJIV-XZOQPEGZSA-N 445.636 4.647 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(OCc3ccccc3)CC2)nnc1C(C)(C)C 1300898708 ZOYLAZODOCORDV-JTHBVZDNSA-N 438.616 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1300900878 JHVDCGPXUDFUIL-KNQAVFIVSA-N 440.579 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(N2CCCCC2)c1 1300908122 YPFIMOPNDVSUEE-UHFFFAOYSA-N 441.583 4.653 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](c1ccco1)N(C)C 1300919182 YADVWOIDFRZJQH-QFIPXVFZSA-N 432.572 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CSCCS1 1300925418 VCNPIVQBMWVOCW-LJQANCHMSA-N 432.659 4.671 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1301028821 BAFJUUUVTIRVMZ-KRWDZBQOSA-N 438.906 4.586 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2Cc2cc(C)on2)CC1 1301089350 SOBYLZUCMDXTAC-UHFFFAOYSA-N 441.963 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1301145720 FJOSYTODPOKXDF-LJQANCHMSA-N 441.595 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1301148358 OEKBISKBKWYCPK-UHFFFAOYSA-N 427.568 4.622 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)C1CCC2(CC1)OCCO2 1301231818 QOXCHRVTBHVWAB-UHFFFAOYSA-N 440.588 4.562 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301234339 IQXKETDJHVJAGU-FQEVSTJZSA-N 442.629 4.619 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1301249887 ZTISULBNQZCLIQ-UHFFFAOYSA-N 433.478 4.798 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)c1cccs1 1301280775 VOOZHJJBLPNGCK-HXUWFJFHSA-N 447.402 4.607 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1=CCCCC1)C1CC1 1301312879 PROGKUJOYJFHQD-UHFFFAOYSA-N 425.964 4.517 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1301314655 ZNWPEKOJTVJRBX-GCJKJVERSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1301362050 ACHIETBQTSTNRS-UXHICEINSA-N 443.661 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1301362287 CEMBTCNFRUSGJA-HXUWFJFHSA-N 449.624 4.784 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC2(CCCC2)C1)C(C)C 1301366649 GRHNGSYQBKUHMD-PKTZIBPZSA-N 441.664 4.641 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@H](F)C1 1301405726 JOSACVNDMXVCTM-AEFFLSMTSA-N 429.927 4.960 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOCC2(CCC2)C1 1301435976 DETXDBZZGLZRQZ-UHFFFAOYSA-N 437.769 4.554 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)CCO[C@H]1C1CC1 1301959122 CYXBYORXELVCQS-YFYZNPQRSA-N 431.943 4.539 30 10 IJEE Cc1oc(NC(=O)CN(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)c(C#N)c1C 1307441704 AFXCAUIGHDHSCX-WHSLLNHNSA-N 437.540 4.762 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3c3ncccn3)c2C#N)C1 1307944129 DMQBUUIBNMRWME-QFBILLFUSA-N 437.613 4.726 30 10 IJEE C=C(C)COc1cc(CNC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1OC 1308299282 GOBYDCNYMYLAIY-HKUYNNGSSA-N 434.577 4.500 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc(Cl)c2)c1 1309008040 ZLLQTERHSNIXOJ-UHFFFAOYSA-N 428.893 4.904 30 10 IJEE COc1cccc([C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)c2ccccc2Cl)c1 1309197688 DOWCQPLNAUWAHK-OAQYLSRUSA-N 447.343 4.942 30 10 IJEE C#CCN(C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 1309999846 SBZZYBORQMNPBU-FQEVSTJZSA-N 437.496 4.937 30 10 IJEE C#CCN(C(=O)NC[C@H](C)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1312472520 XLZATKFTPLSTET-OXJNMPFZSA-N 427.342 4.721 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1312536725 QOWOYBCBQHSTEM-QKLQHJQFSA-N 435.515 4.765 30 10 IJEE C=CCOc1cccc(NC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 1351409492 DJFYPCFQGQZDIY-UHFFFAOYSA-N 427.501 4.606 30 10 IJEE CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1354962662 GAQMAKKMDONONW-AWEZNQCLSA-N 436.726 4.530 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Cl)c(Cl)c2)cc1 1357308994 ILDKUTHCJBUOPG-UHFFFAOYSA-N 441.380 4.761 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(CCC#N)CC1CC1 1358906542 KYFZXHUYFOFQNQ-UHFFFAOYSA-N 426.362 4.641 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)C)CC1 1359093620 PVUBRVOMQRIGCM-IRLDBZIGSA-N 444.023 4.500 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1cnc(C)s1 1359147915 XBDPTUJXKWPORP-UHFFFAOYSA-N 438.782 4.861 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1359252823 HUABVGNUHIBJJC-HFZDXXHNSA-N 437.632 4.831 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(F)cn1)C1CC1 1359253554 KIMSNEOMPDNZTG-UHFFFAOYSA-N 448.329 4.901 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCCN1CCCC[C@@H]1C 1359258663 YMEBFJQMFYCZQN-QFIPXVFZSA-N 430.600 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@H](O)C1 1359267963 YLNKVORLCSAOMU-WBVHZDCISA-N 449.368 4.576 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H](CC)N1CCc2ccccc2C1 1359268141 FHLWOXKKKUIJSY-QHCPKHFHSA-N 431.584 4.862 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1 1435028482 QQAIYXMDZNIIPI-UHFFFAOYSA-N 430.891 4.853 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 1435228265 AUMJNWMLFGFCBY-FQEVSTJZSA-N 431.879 4.539 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 1438916445 BCRQBRSPRNXEOH-QFIPXVFZSA-N 445.540 4.891 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CCCCC3 1458737375 YJVPKKPMLAIBJJ-KXBFYZLASA-N 447.670 4.944 30 10 IJEE N#Cc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)c(Br)c1 1458975770 DRNUFHPPEWWDBW-UHFFFAOYSA-N 436.338 4.801 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2cc(-c3ccc(CC)cc3)nn2-c2ccccc2)C1 1460288550 DXVTZFPIPNRLJM-QFIPXVFZSA-N 426.564 4.776 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)c1ccccc1 1463270915 LIYNVJVRBFMGNV-ZOYWYXQUSA-N 448.588 4.763 30 10 IJEE C=C(C)CONC(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1469742402 XMMCTUOHCXOPPY-JOCHJYFZSA-N 440.927 4.660 30 10 IJEE C#CCOCCN(C)C(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1 1472438213 OSSNMUBKOFDCOG-CLCOLTQESA-N 431.557 4.976 30 10 IJEE C[C@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1472679144 DBRZFOPMBZKNFM-ROUUACIJSA-N 437.588 4.931 30 10 IJEE C=CCc1cc(CNCc2cc(Cl)ccc2I)cc(OC)c1O 1474207868 JBMJZJRCTYFJNI-UHFFFAOYSA-N 443.712 4.677 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(NC(=O)CC)ccc1Cl)c1ccc(Br)cc1 1475976482 WKFBRMUHUWHVJK-INIZCTEOSA-N 434.721 4.947 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1nsc2ccccc12 1476728567 FQHNWGSVALXNEM-UHFFFAOYSA-N 432.343 4.988 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1477864048 PPENXFVRZDKTST-FGZHOGPDSA-N 429.967 4.930 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 1478284551 JVKADAKMGHEVNI-AYRHNUGRSA-N 433.596 4.694 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccc(F)cc1 1478760601 OUHKXEVKNWUODS-YADHBBJMSA-N 439.531 4.628 30 10 IJEE C#C[C@H](NC(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1478895225 CCRMMUXRXGRDCP-PXNSSMCTSA-N 433.980 4.741 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Br)cc1 1478896128 KHGAJWKFBHRCPB-AWEZNQCLSA-N 446.654 4.690 30 10 IJEE CCC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1500119872 CAOHQTGYGUCXQU-HSZRJFAPSA-N 442.567 4.629 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CCOCC1 1507661963 BYWVFLDDEVUZKA-UHFFFAOYSA-N 436.625 4.555 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1507743714 BJLDEMIYQAUGDN-CRAIPNDOSA-N 433.419 4.699 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1507749778 ZUFMMNMCNZGPEN-MSOLQXFVSA-N 428.671 4.939 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CCC[C@H]21 1507829537 BEXMATRHLFJJOV-XUVXKRRUSA-N 429.609 4.738 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1507873184 AZCZXHIPRMIOEC-IBGZPJMESA-N 432.037 4.696 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccnc2OCCCC)CC1 1507906802 MCSGMJHXLUUMPF-UHFFFAOYSA-N 432.572 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1507922851 HYQFBWXFWOGGKO-OALUTQOASA-N 431.650 4.876 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](C)C1)c1ccccc1 1507925115 ZDXMMCHXWAPKGU-LVCYWYKZSA-N 437.975 4.967 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1cc(Br)ccc1OC 1508006753 VTWVVNJGITVINF-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=CCC1)C(C)C 1508012399 DMQSADCLYCNTSQ-DNVJHFABSA-N 441.664 4.662 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CCC)CCC2)C1 1508127207 KFSDNMHIKAFTTQ-PWRODBHTSA-N 430.637 4.948 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(SC)CCC2)C1 1508131573 MJFBANKUOMUEDE-HXUWFJFHSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)C1 1508168041 NMDFXWXBQNRMGW-ROUUACIJSA-N 435.638 4.506 30 10 IJEE C[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cccc(C#N)c1)N(C)C 1510027647 AVBIGZHLYZTQQR-SFHVURJKSA-N 448.640 4.734 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@@H](C)C#N)cc1 1510874937 BIPXQASABIKAIW-AWEZNQCLSA-N 430.375 4.722 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](C)C1)C(C)(C)C 1519874611 BHKYJKJBXDNOOH-WAOWUJCRSA-N 441.645 4.989 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 1520473559 SSMLWUHTPYLUPG-LJQANCHMSA-N 444.457 4.513 30 10 IJEE C=CCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1522958160 CALUGJNZNYBRNB-HXUWFJFHSA-N 431.479 4.707 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)Cc2ccc(OC)c(Cl)c2)nnc1-c1ccco1 1525656901 KKLSOYJMULBUFW-UHFFFAOYSA-N 446.960 4.527 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC2(CCC2)c2ccccc21 1528784016 HJLIERFALPZFHC-UHFFFAOYSA-N 441.325 4.567 30 10 IJEE CC(=O)CCc1ccc(OCCC(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cc1 1529473873 SNEMUDJOQOKPOW-SHHOIMCASA-N 438.593 4.887 30 10 IJEE C[C@@H](OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 1531747251 GVSIGYMPVBDXCG-BEFAXECRSA-N 434.414 4.800 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 1535432820 DHNUGXHVDCTEFY-UHFFFAOYSA-N 443.656 4.896 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C)CN1Cc1ccccc1 1535469876 DMBYOJLXHXGOAW-VXKWHMMOSA-N 439.559 4.872 30 10 IJEE C#CCN(C(=O)c1cc(Br)nc(Br)c1)[C@@H]1CCCc2ccccc21 1536287969 JXEGNOXMWMGENE-MRXNPFEDSA-N 448.158 4.760 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1536324069 OYWHORREDZOISV-DEOSSOPVSA-N 447.579 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1539004755 MZPCJWMQTUMPDG-AZUAARDMSA-N 429.609 4.573 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCSC1(C)C 1539239358 KWDPRMSTVYYEJT-MSOLQXFVSA-N 443.016 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1539926333 MSWSYADGKPELOJ-FCHUYYIVSA-N 439.648 4.995 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1539989309 TYJCYKHCYWBYJW-UHFFFAOYSA-N 432.359 4.651 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1Cc1ncnn1C(C)(C)C 1540136959 OAOVKXZCAUNJAQ-UHFFFAOYSA-N 437.567 4.662 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1coc(-c2cccs2)n1 1540159149 XVIXJBCLTDCLPT-UHFFFAOYSA-N 428.521 4.760 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccco1 1540178128 XRAYLFQAIRIWOB-VWLOTQADSA-N 432.524 4.582 30 10 IJEE CCc1ccc([C@@H](C)C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc1 1543137199 HXEVRKBXMUVRFB-VGSWGCGISA-N 440.385 4.524 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Br 1561112444 GZRWRHZLMCABGH-UHFFFAOYSA-N 445.176 4.589 30 10 IJEE CCOC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C(C)C 1562759258 CFZOAJNPCROHDV-QGZVFWFLSA-N 440.491 4.807 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(Br)cc(I)c1 1563115773 BNGDVLMPTOVPCQ-OKILXGFUSA-N 447.114 4.769 30 10 IJEE C#CC1(F)CN(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)C1 1563413783 VZWPUVBYBDHROI-KRWDZBQOSA-N 430.310 4.973 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 1586657317 CUTJVFNFUQSDTC-UHFFFAOYSA-N 434.989 4.589 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](OCC)C1 1587723321 IQYAPTBZVZFMRO-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1587883457 BMWWRKYJJZNVPB-KDURUIRLSA-N 426.630 4.898 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1588276674 VAPRRBMHAKNHFP-NFQMXDRXSA-N 444.627 4.772 30 10 IJEE C=C(Cn1c(N2CCC(OC[C@H]3CCCCO3)CC2)nnc1C(C)(C)C)c1ccccc1 1593795966 CSUMVFZHPWFSAE-HSZRJFAPSA-N 438.616 4.844 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1594004153 VWWNGZDRTHTUED-IXDOHACOSA-N 428.955 4.821 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccnc(SC)c2)CC1 1594014159 PCFUXPUDWGTJQA-KRWDZBQOSA-N 439.560 4.879 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(C)(C)COC)CC1 1594035834 MVDMXZCVMAVJFY-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1594788319 KTJBRKFRYYWFQA-VQTJNVASSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@](C)(OC)C1 1594793687 PBODVRSLDKQSBF-RUZDIDTESA-N 426.605 4.841 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCCC1 1595120688 ZCWWIDIYSCDTFB-UHFFFAOYSA-N 435.641 4.997 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1595890211 LZHQRIFVMWQUJU-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE C#C[C@@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccc(Cl)cc1F 1597004208 ZTQCEDZFMPVIAV-FOIQADDNSA-N 435.307 4.552 30 10 IJEE N#Cc1ccc(CSCC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1 1610977499 AXCZCONUEKVJSS-UHFFFAOYSA-N 445.367 4.711 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(C)c(F)cc2F)c1 1621595978 ZBCPFHZSACYEID-UHFFFAOYSA-N 444.455 4.837 30 10 IJEE C=C[C@@H](C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O)c1ccccc1 1623570401 MWRNTLJSNIUGKM-WOJBJXKFSA-N 441.369 4.647 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCCc3c(cccc3OC)C2)s1 1627691324 OPZIOHANBXRGNN-MRXNPFEDSA-N 437.030 4.911 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(Cl)c1 1627814950 RWBFHQVPKZYWFZ-MRXNPFEDSA-N 428.895 4.526 30 10 IJEE C#CCOc1cccc(NC(=O)c2cc(Nc3nccc(C(F)(F)F)n3)ccc2C)c1 1627844953 AUUSEYYVCDNOCI-UHFFFAOYSA-N 426.398 4.812 30 10 IJEE C=C(C)COCCNC(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1633050448 XHYULARNEPHFDN-FQEVSTJZSA-N 440.437 4.857 30 10 IJEE C=CCC[C@H](NC(=O)NCC1(S(C)(=O)=O)CCCCC1)c1ccc(C(F)(F)F)cc1 1633470733 HHMXJSHCCFUJIX-SFHVURJKSA-N 446.535 4.759 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(F)cc1 1635837210 WHBWZRLXXTXEHS-OAQYLSRUSA-N 437.515 4.687 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccccc1)c1ccccn1 1637747929 MSMOQMZQLKVCNG-CTNGQTDRSA-N 443.975 4.560 30 10 IJEE C#CCN(CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1)C1CCCCC1 1641656673 LGDKCAOTKWJSIW-UHFFFAOYSA-N 433.552 4.544 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(OC)c(OC)cc2C1(C)C 1643677906 MVODDCPXZVMLQA-IBGZPJMESA-N 446.588 4.573 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C(CC)CC)N(C)C 1649538368 CLCSAOKMNNXIOX-NTKDMRAZSA-N 432.616 4.626 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C2CC2)cc1OC 1651829226 HCXBGOKNVPNKIA-AHXGSBRSSA-N 449.547 4.826 30 10 IJEE C#C[C@](C)(CC)NCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 1653663448 VUYVRUWTTWIFOO-HSZRJFAPSA-N 444.000 4.863 30 10 IJEE CCCN(CCN1CCCCCC1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1653761160 FKCCIRYMUKTMLI-LJQANCHMSA-N 430.662 4.804 30 10 IJEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 1653791899 ABPCNTAWPKBGPQ-QHAWAJNXSA-N 436.625 4.614 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCc3c(OC)ccc(Cl)c32)cc1 1658516330 KBCIEXDRUILYJH-IBGZPJMESA-N 427.932 4.806 30 10 IJEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H](C)c1cccc(-c2ccc(OC(C)C)cc2)c1 1662799091 ANIGCXDSVLTMOD-VQTJNVASSA-N 443.613 4.860 30 10 IJEE C#CCN(C(=O)NCc1ccc(OCCN(CC)CC)cc1)[C@@H]1CCCc2ccccc21 1673959411 DPSPMCNFSKDJCA-AREMUKBSSA-N 433.596 4.630 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(Br)cc1 1676033361 QWRLXYSDRCQYTO-MRXNPFEDSA-N 429.211 4.781 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C 1677638306 AOTDXFNMAYYQAA-FQEVSTJZSA-N 427.342 4.584 30 10 IJEE C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CCN(Cc2ccccc2)C1 1677898458 BEWHNTPILAOSJJ-XXBNENTESA-N 444.604 4.997 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1678916700 DTXHCPZLBDLJGW-UHFFFAOYSA-N 443.588 4.574 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1681036709 LYKRSNDVMBGRRW-HJNYFJLDSA-N 427.589 4.955 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 1681333400 BDUQMMFFBQYWGX-NOZRDPDXSA-N 426.532 4.619 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccccn1 1690059721 WJLWMIWEWPEZER-IBGZPJMESA-N 437.975 4.786 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)CCC(C)C 1690195313 IPBXEZXJPWPMDP-RPWUZVMVSA-N 446.542 4.726 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCSC2)CC1 1690404878 WMLISQRVZIAPLR-AWEZNQCLSA-N 439.448 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1690430308 IAALCDWJQWWHHN-LJQANCHMSA-N 432.515 4.937 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690456194 YUHYZQMQAWRQRJ-GOSISDBHSA-N 447.986 4.835 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690456341 DUFSGBHTGOKWLS-KRWDZBQOSA-N 438.494 4.858 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690465924 RGZXWISVUPTEHY-UHFFFAOYSA-N 437.632 4.617 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690532519 POVZOIDLKXHNAQ-OFNKIYASSA-N 426.605 4.937 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCC[C@H]1C 1690586287 JTVBLBAXUISDBO-RHGYRFJNSA-N 426.630 4.861 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC=CCO1 1690609273 JGRATSLEIAFZHX-QFIPXVFZSA-N 438.959 4.696 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705548726 RUFQLENSNKDSBV-APWZRJJASA-N 445.405 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCO[C@H]1CCCC[C@H]1C 1705606506 VPRVAJKHTABUIO-DVECYGJZSA-N 431.584 4.857 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H](C)CCSCC 1705681943 LEVRRNVIDHFXHC-OAHLLOKOSA-N 439.423 4.830 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCC[C@@H](C)C1 1705711423 LEGMRUOLANYYNN-UXHICEINSA-N 429.584 4.692 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1N(C)CCCC1(C)C 1705719186 OHKNZRXWWITUGA-QHCPKHFHSA-N 434.632 4.804 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1705732078 MTBRJPPZQAJCLJ-LEWJYISDSA-N 428.577 4.613 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccco1 1705739445 GUDBXCPFSURCLV-HXUWFJFHSA-N 426.492 4.523 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccncc2Cl)CC1 1705763124 OWYWIQHCZTUJHC-MRXNPFEDSA-N 427.911 4.810 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOc2ncccc2F)CC1 1705782612 BMCWMSOJDBJKOB-UHFFFAOYSA-N 441.938 4.538 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1705810054 MEFFGOBYOXRTTP-UXHICEINSA-N 434.943 4.856 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(CCOC)CC2)C1 1705920487 YMTTVZXZRYPTOA-JOCHJYFZSA-N 438.616 4.841 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCC2(C)C)c1C 1706980743 HGDNGFHQLLWCMF-NJYVYQBISA-N 437.588 4.590 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(C)(C)C2CC2)c1 1707333146 GMKBGHKPSRENND-XMMPIXPASA-N 425.552 4.742 30 10 IJEE Cc1nc(C)c(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1707740517 AGATVBBHISPPBF-DEOSSOPVSA-N 434.613 4.705 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1708595667 CRGWXWMTZRJISP-FDDCHVKYSA-N 427.618 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC1CCN(CC)CC1 1722281907 ZUEKYJUUNUCGJW-IFMALSPDSA-N 437.632 4.615 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1722314366 LCUGCZHKIWZZDG-HSZRJFAPSA-N 427.552 4.981 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(O)CCCC1 1722389237 QIRAXJUKTXXPDQ-UHFFFAOYSA-N 448.567 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H](C)COC 1722473796 DFSVCGIRDJXOEW-MHECFPHRSA-N 445.007 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCC(C)CC2)nc1 1722513025 PPCMKKNVSLRQPR-UHFFFAOYSA-N 445.615 4.731 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1722567042 IUIQPTXSIMGBKO-URXFXBBRSA-N 438.616 4.875 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 1722596143 DFNRVWQVEJYVBD-HXUWFJFHSA-N 439.604 4.694 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(CC)n1)C1CC1 1722652272 HJFJQEIHIGFTMX-UHFFFAOYSA-N 428.005 4.939 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1cc(F)cc(F)c1 1722663791 IFWQMODFGIYLQI-SFHVURJKSA-N 444.551 4.947 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)C1 1726548757 DDELBQNFBHPVDF-FQEVSTJZSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)CC=C 1740538574 IFMPGHVLFVVBAV-HNNXBMFYSA-N 431.378 4.776 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC([C@H]2CCCO2)CC1 1740588377 RIDNAUVVHQVZNT-HXUWFJFHSA-N 443.389 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCCCO1 1740658296 HCIDIQNKDCGUBY-HSZRJFAPSA-N 448.611 4.577 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1nc(C(F)(F)F)cs1 1740675433 BWYZBWLFFWTXPD-UHFFFAOYSA-N 437.466 4.704 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@H]1C 1740711690 RQGIZYXJUCSSGF-UYAOXDASSA-N 433.625 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H](c1cccnc1)C(C)C 1740732456 DMHWQYFPCNLIJR-WNCULLNHSA-N 443.595 4.704 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCC[C@H]1C 1740769120 GVHISVQPUIIHAX-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1740852214 KBCZTDHHWMDODL-QGZVFWFLSA-N 430.549 4.526 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC2(CCN(C)C2=O)CC1)c1ccccc1 1740854317 MZUBXTJPNVLVAT-RBBKRZOGSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccccc1 1740864844 GBSPUDHKDGESJK-HXUWFJFHSA-N 435.597 4.967 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1740889309 LRFNDGXPUUXATI-JQVVWYNYSA-N 428.552 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCCN1CCC[C@@H](C)C1 1740895818 VWMARBOFKDACGC-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cc(C)on1)C1CC1 1740907746 XZXRPPOBEXCPGF-UHFFFAOYSA-N 428.334 4.516 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](C)C1)C1CC1 1740910918 ULAXCCCYCFDCEJ-RBUKOAKNSA-N 443.636 4.984 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@](O)(c1ccccc1)C(F)(F)F 1740934817 RLALTGLEBAUUKL-QFIPXVFZSA-N 448.489 4.680 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC2(CCCCC2)C1 1740948278 IVQXXMUYAVUNJY-UHFFFAOYSA-N 445.007 4.977 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1740975156 MOJUHHKRFNACGI-PZJWPPBQSA-N 441.526 4.814 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nccs1 1748906976 DTWSQFUCKCPOCW-INIZCTEOSA-N 429.977 4.653 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)Cc1cccs1 1748937340 HTMYPAYSNVXLCO-KRWDZBQOSA-N 428.989 4.910 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)CCCS2)CC1 1749323265 CYJSIQGSYNSMAL-DEOSSOPVSA-N 439.629 4.835 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CCc2ccc(OC)c(Br)c2)CC1 1749341369 FPYKBLYIRWOABN-UHFFFAOYSA-N 445.405 4.962 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1749343313 ZPSFYUJCADYOSO-UHFFFAOYSA-N 427.559 4.543 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1749385478 RFISUQWTVOXUNV-NVQXNPDNSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2sccc2[C@@H]1CC 1749434204 KZNVJOSAQJIKJQ-KRWDZBQOSA-N 441.626 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(OCC(C)C)cc1 1749467044 DGMDWPUHBDNZGR-UHFFFAOYSA-N 444.377 4.741 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCSC1(C)C 1749592474 NASXQEFKCORUHL-GOSISDBHSA-N 426.586 4.862 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1CC(F)(F)C1 1760099312 DVHQHFKENRBTIZ-CQSZACIVSA-N 427.524 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ccccc2Cl)CC1 1760315424 FIASVNJJFXJDDX-KNKQGSTJSA-N 444.023 4.753 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1760423054 PVMWVDSZGVABSH-UHFFFAOYSA-N 442.951 4.694 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@H](C(C)C)C1 1760447906 UHMXLDCUNQEDEA-QFIPXVFZSA-N 437.613 4.664 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccccc1OC 1760449342 HNMVTGXLDCAWNE-QFIPXVFZSA-N 433.556 4.591 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCCCCC[C@H]21)C(C)C 1760490255 SMIAFPOXWHOTFY-QPTUXGOLSA-N 449.647 4.593 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCCCO1 1760502317 UYOBZMUXADDXHK-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC[C@H](C)C2)C1 1760538030 VJZAMTYONBGDIQ-QKNQBKEWSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760568052 WPMGTMGLNSADLS-CRAIPNDOSA-N 443.469 4.870 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)C1(C)C 1766125887 DPDFQKIBHAGECF-PMACEKPBSA-N 439.629 4.742 30 10 IJEE Cc1ccc(C(C)C)c(OCCCN2C(=O)C(=NO)c3cc(Br)ccc32)c1 1772728894 JNRRYESBDNOAIN-UHFFFAOYSA-N 431.330 4.875 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)N2CCCc3ccccc32)ccc1OCc1ccccc1 1860637356 RXGOXQPHFXKHAU-FYWRMAATSA-N 427.500 4.836 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1861031901 VAYWZVLZYIGSMA-QFIPXVFZSA-N 443.519 4.552 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCn2ccnc2)c1 1862441852 DJPPITWUYPMBFM-NRFANRHFSA-N 435.911 4.514 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc2cc[nH]c2c1 1862463928 MJFPLWIIKHXCAH-HXUWFJFHSA-N 428.410 4.964 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc(F)cc2)cc1 1862473575 CNWPJBQFWZOWPT-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2F)c1 1862491668 YLIPURNBFNRKSS-JOCHJYFZSA-N 443.490 4.975 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(=O)OC)cc1 1862494735 OZKJAYASKMSEHE-QFIPXVFZSA-N 435.520 4.859 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C)cc2)cc1 1862514882 MXTUVJWWISZFBR-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862535593 GKIPWGARTHWRIX-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc2ccccc12 1862644310 IEBWRGNFQVVJOC-HSZRJFAPSA-N 449.478 4.602 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccc(C)cc1 1864255759 JPHQCHLXAOPZQX-OAQYLSRUSA-N 438.616 4.852 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)n1 1868291089 HOWUNRBWNATBNV-UHFFFAOYSA-N 443.551 4.969 30 10 IJEE CCCCCCCCCCNC(=O)c1cn(CCOc2ccc(OC)cc2)c(=O)cc1O 1870121337 RVHDGWIKULCMED-UHFFFAOYSA-N 444.572 4.512 30 10 IJEE COc1ccccc1CCC(=O)Nc1c(C#N)nnn1-c1ccc(-c2ccccc2C)cc1 1870146800 ITAHTBHYHPQVLF-UHFFFAOYSA-N 437.503 4.694 30 10 IJEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870563135 NWJXPPZCNBFVPP-UHFFFAOYSA-N 447.579 4.673 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870813989 ORPSYDMVKKVLEN-UHFFFAOYSA-N 430.426 4.798 30 10 IJEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871244117 IEFFQCFGOLDELZ-UHFFFAOYSA-N 435.499 4.631 30 10 IJEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3cccc(OCc4ccccc4)c3)o2)cc1 1871281949 MFUVQUILNLUMFR-UHFFFAOYSA-N 445.500 4.902 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(OC)c4)c3C)C2=O)cc1 1871442110 ZQTQSOIEVJIYPR-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871799703 KTBRLZXBYXWZHP-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCC)c(OCC)c2)=C(c2ccccc2Cl)C1=O 1873195683 UYFNHGFMGUYFIO-UHFFFAOYSA-N 426.900 4.515 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cc(Cl)ccc1O 1874310281 NQUOUFPBDWNWGU-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)n2/N=C/c2cccs2)cc1 1874387350 IMUVFVQMIZRDML-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccco2)c1C 1874420927 LSTLSGGXVNDNCL-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccn2C)c(C)c1 1874430044 QBLKNXQWEWMZHC-MFKUBSTISA-N 444.564 4.513 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874444624 HJDGUBMHUASRQS-FINLKQIMSA-N 448.508 4.694 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)o1 1874454369 FOELNMJEHKAGOW-CIAFOILYSA-N 430.555 4.941 30 10 IJEE Fc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc2c(c1)OCCO2 1874467131 SWEIZHKABTXZNX-ZMOGYAJESA-N 436.468 4.623 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2-c2ccco2)cc1 1874468438 IEKSPEPCHQECPF-BFTFCADCSA-N 445.548 4.698 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)NCCC)cc1 1874487869 JLCDVSHUQKMXIB-PCLIKHOPSA-N 445.633 4.546 30 10 IJEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)ccc1O 1874489952 STCWWBIWUYXHRY-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE CC(C)Oc1ccc(/C=N/n2c(S)nnc2Cc2ccc(Br)cc2)cc1 1874569541 BHPFJKRKQFZTBS-CIAFOILYSA-N 431.359 4.590 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1F 1874582573 VCNNNMATYMQHNA-QIXNEVBVSA-N 433.479 4.987 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1OC 1874602959 HYNAWJUBPHVLLC-VMPITWQZSA-N 432.900 4.831 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692424 GCFUWEHFLVMPOQ-OUKQBFOZSA-N 433.416 4.727 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)COCCOC 1875140331 ATPLPDMRRBGBAE-CMDGGOBGSA-N 446.927 4.820 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(C)CC1)n2CCOC 1875225141 BOVYILWFWPRJLQ-UHFFFAOYSA-N 429.609 4.722 30 10 IJEE Cc1ccc(C(=O)N2CCC(c3ccc4cc(Br)cnc4n3)CC2)cc1C#N 1890259962 VVHFUQZIZCBDDI-UHFFFAOYSA-N 435.325 4.592 30 10 IJEE Cn1nc(-c2ccc(Cl)cc2Cl)cc1C(=O)N1CC=C(c2cncc(C#N)c2)CC1 1890409265 GWEPIIREFAAXLF-UHFFFAOYSA-N 438.318 4.590 30 10 IJEE C#Cc1c(F)cc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 1903074206 HEQKRBFHFATEFJ-UHFFFAOYSA-N 446.453 4.813 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@H](C)CN(Cc2ccccc2)C[C@@H]1C 1921506277 BUUSRSWBXLEKPH-GGAORHGYSA-N 448.460 4.637 30 10 IJEE COc1ccc(OC)c(C=NN=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)c1 2040465557 VLSIGSFYNWXKFN-UHFFFAOYSA-N 431.536 4.572 30 10 IJEE N#Cc1ccc(N(C(=O)c2ccccc2)[C@@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 2087920232 HALVMGZKNZLIKF-RUZDIDTESA-N 438.531 4.790 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2124488518 BFMUILPCTQGGPS-HXUWFJFHSA-N 429.399 4.583 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)c(F)c1 2142155818 LTWPGBBQLKXOMM-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1C#N 2174569076 WKDYWSWXGAZFBZ-QIDUDWOJSA-N 434.378 4.588 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C2(CCCC2)C1 2174809497 AKURACLPXZMYRU-AWEZNQCLSA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181140970 GVXJXPAIYWWRPJ-WBVHZDCISA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NCC1(Oc2cc(Br)cnc2C#N)CCC(F)(F)CC1 2198816673 ZIFVIQXKIISQQL-UHFFFAOYSA-N 446.292 4.567 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CC 2224265686 INEHBFKTJRJLJO-YOEHRIQHSA-N 429.403 4.566 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)C#Cc1ccc(Br)cc1)Cc1ccccc1 2242570353 UJGXMOQPKRAGQT-UHFFFAOYSA-N 428.326 4.807 30 10 IJEE CC1(C)OB(c2cscc2C(=O)Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2255539608 BMQHMNSNGRVPAO-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE CC1(C)OB(c2cscc2C(=O)Nc2ccccc2OCc2ccccc2)OC1(C)C 2255812527 IOUNYQOVIJXBEB-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C=CCCC1([C@H](O)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266821473 AAPYVHVENPKELY-QGZVFWFLSA-N 426.351 4.694 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cccc(OC)c2O)C1=O 2294017379 GWLAQKOVDJNGSV-UHFFFAOYSA-N 431.897 4.598 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2cccc(Br)c2)CC12CCCC2 2296230267 RNJAVPDPBUYAFO-QGZVFWFLSA-N 432.358 4.940 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2296267307 ROKZOMOXGVJSHE-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2296271271 CQOOGZADMWVPPV-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2296274336 UCWSSCBNPPLWHH-GUDVDZBRSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(O)(C#Cc1ccc(Br)cc1)CC2 2296288704 JVCKNGGYKYQMDC-PPNDLDFTSA-N 434.374 4.637 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H](N)C#Cc1ccc(Br)cc1 2296297309 XLSDKEKAJMICLM-WOJBJXKFSA-N 435.406 4.992 30 10 IJEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccc(C)o3)sc2c1 2296559534 NNYABUVHNOYMJJ-IBGZPJMESA-N 434.473 4.979 30 10 IJEE C=CCN=CC1=C(Sc2ccccc2)C2=C(CC1)[C@H](C(=O)OCC)[C@@H](NC(C)=O)S2 2297499052 YHDZICAALBNHPU-UGKGYDQZSA-N 442.606 4.726 30 10 IJEE N#Cc1cccc2c1CCN2C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302722308 NVSFWFPMNCZSEM-UHFFFAOYSA-N 449.510 4.519 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@]2(C)C1 2309555012 DJCMYWBGIYDPIB-XGRCMKMKSA-N 448.568 4.853 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 2314478036 PHHJYFFQILXCAB-RUZDIDTESA-N 446.591 4.914 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2C)c1 2322659400 DZSDEXVRQMSKCA-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1OC 2323375413 REWDTVYZEQELMJ-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCC[C@@H](CO)C1 2324209774 UTXBNGFMMWJFST-HXUWFJFHSA-N 441.527 4.880 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1)O2 2324963175 JYEZOERRNMTZBZ-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2325480181 MAKLAKVUHVIVRH-UHFFFAOYSA-N 429.505 4.952 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)c(OC)c1 2325796906 UFAAEUSJUQFOCJ-UHFFFAOYSA-N 442.103 4.831 30 10 IJEE O=C(Oc1ccc(C=Nn2cnnc2SCc2ccccc2)cc1)c1ccc(F)cc1 2326208301 UKTDXSXTMCHDAL-UHFFFAOYSA-N 432.480 4.811 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cc(OC)ccc1OC 2327177444 TWHJCDXIMHMHPS-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccccn2)c1 2330242056 XHTKRVLIXBSZJR-UHFFFAOYSA-N 448.596 4.717 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1cccc(F)c1)NC1CCCCC1 2330678684 UNDLJUYVNKKGCI-UHFFFAOYSA-N 437.544 4.507 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1cccnc1 2331445738 HQGIHYNKXAYLNK-UHFFFAOYSA-N 443.455 4.663 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccccc1Cl)NC1CCCCC1 2331530203 ITUNFPRSXJFQRB-UHFFFAOYSA-N 431.993 4.622 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339573971 AQKAVCDKTUBYCK-WKWPXIAWSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578014 AKFQUUONQCVICC-QFQMRYFISA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339588752 MXFPQFASDYWTBI-LJQANCHMSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339604166 LKYLXATXANMRKN-HFDGNCGESA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2339604331 NWWVQPVNWMOIIJ-HGZMWJMZSA-N 441.381 4.538 30 10 IJEE N#CCc1ccc(OCc2ccc(I)c(Br)c2)cc1 2349803274 KKSJCGVGKGBQFR-UHFFFAOYSA-N 428.067 4.699 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@H]4CCN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2365109677 ZTHCMDACKZHOGF-DNQXCXABSA-N 445.416 4.685 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC(Nc3cc(Br)cc(F)c3C#N)C[C@H](C2)C1 2365550619 JEVMZEKEKLSHNU-STQMWFEESA-N 438.341 4.907 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369734130 VFRIIQUSYKDPGL-AREMUKBSSA-N 448.460 4.637 30 10 IJEE CCc1cccc(N/C(=N\C(=O)c2ccccc2)N2CCN(Cc3cccc(F)c3)CC2)c1 15729153 FLNKDWCAUWHECS-UHFFFAOYSA-N 444.554 4.814 30 10 IJEE CN/C(=N\c1ccc(Cl)c(C(F)(F)F)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 17778925 NRPKIHILKPJJFX-OAHLLOKOSA-N 441.862 4.631 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2)n1)N(C1CCCCC1)C1CCCCC1 20831763 OYKOSDLZILONIN-LFVJCYFKSA-N 440.617 4.837 30 10 IJEE COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c(OC)c1 33321206 GWHHDIOBXROPDD-PSLXWICFSA-N 432.476 4.664 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCOC)cc1 39827303 FHAYBFMIEIZDRY-QHCPKHFHSA-N 437.536 4.509 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(Cc2ccc4c(c2)OCO4)CO3)C1=O 41661201 AJLOAWGEFZSXCA-NKVSQWTQSA-N 433.485 4.754 30 10 IJEE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/Nc1c(F)c(F)c(F)c(F)c1F 59160030 GAMOAPXXUUVQCE-HCBMXOAHSA-N 425.317 4.539 30 10 IJEE Cc1nn(Cc2nc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)oc2C)c(C)c1C 96397345 WRMTXEVEQNHOKS-UHFFFAOYSA-N 425.492 4.944 30 10 IJEE C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 97003027 UQPVXOUSORQIRP-LDADJPATSA-N 429.904 4.909 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2c(c1)CCN2C(=O)CC 109907545 OAXMUBHXSRKUCE-UHFFFAOYSA-N 445.332 4.716 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111039150 HTMVEBWAZCKKAF-OAHLLOKOSA-N 439.922 4.632 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953830 HWHFOFBKGABMDP-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccnc2)cc1 170002889 WADLGKCFGXJOGT-QHCPKHFHSA-N 442.471 4.717 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCOC)cc1 170034465 AWSYDJHXHXMIKN-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170123911 LIRYGWMMFCJGGS-UPCLLVRISA-N 447.531 4.930 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(O)cc2)c1 170132169 OOIMMQZWUDMTFP-VOIUYBSRSA-N 441.483 4.807 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)cc1Cl 170170510 RFVPQBWZAFMEPZ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccnc1 170184049 ZPQXYSCTRSETEB-NRFANRHFSA-N 432.451 4.629 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)cc1 170186560 SNPXPYDPALXHGJ-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170239093 VOCVGGCKQWMQFK-JOCHJYFZSA-N 428.419 4.796 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(CC)cc2)cc1 170265951 YGUJKAHNNRHJFV-UPVQGACJSA-N 449.547 4.795 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cn(C)c2ccccc12 170269342 IOBGHNADBYEQFU-HSZRJFAPSA-N 432.520 4.874 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311344 UUWXFZODBTYRLH-HSZRJFAPSA-N 447.462 4.831 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)[C@H]1c1ccc(O)cc1 170450963 BZZLDPHTBNBBEW-IBGZPJMESA-N 444.459 4.795 30 10 IJEE COc1cc(/C=C\C(=O)N(C)c2ccc(Br)cc2Cl)ccc1OCC#N 213935702 XSNQIEIOBUIJMQ-YWEYNIOJSA-N 435.705 4.690 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2CC)SC1=Nc1ccc(C(C)=O)cc1 252594012 BONCMVSCQSMKKF-NRFANRHFSA-N 435.549 4.598 30 10 IJEE C=CCN(C(=O)c1sc(Cc2ccc(F)cc2)nc1C)c1nc(C(=O)OCC)cs1 409822132 OCFRYJJULKRBOG-UHFFFAOYSA-N 445.541 4.647 30 10 IJEE C=CCC[C@H](NC(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1)c1ccccc1 435757731 BXEYMJBOIYEWCA-DEOSSOPVSA-N 435.568 4.697 30 10 IJEE N#CCC[C@H](NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 438865075 FJXLZYNKURLXGM-UNMCSNQZSA-N 436.943 4.842 30 10 IJEE C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H]1c1ccc(I)cc1 460777285 ZMCBFNIZYCRTJJ-KRWDZBQOSA-N 434.325 4.678 30 10 IJEE CCCc1c(NC(=O)c2c(CC)nc3ccc(Cl)cn23)cnn1-c1cccc(C#N)c1 462332013 CDRKEFYZFZSUIM-UHFFFAOYSA-N 432.915 4.812 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)Cn2c(-c3scnc3C)nc3ccccc32)cc1 463503546 TWNWSVBMMOSKSD-UHFFFAOYSA-N 445.548 4.814 30 10 IJEE N#Cc1ccc(Br)c(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 492721316 KDGNUOPVNFJXAE-MRXNPFEDSA-N 441.304 4.889 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 504284146 LVHBIVTUVQUXCJ-UHFFFAOYSA-N 436.533 4.867 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](O)(C(F)(F)F)C1 508734861 TWSIYEUCFHRMGF-KRWDZBQOSA-N 428.867 4.503 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2ccccc2-n2cccn2)cc1 512464697 YNDOVUGHSLDUQH-UHFFFAOYSA-N 439.494 4.795 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 514235312 ALXKRWIITSAPNK-JOCHJYFZSA-N 447.432 4.783 30 10 IJEE COc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1O 526490138 ZSVARNQQUGKZRD-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE COc1ccc(OC)c([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526523662 ZZZFEXAMBPQRKJ-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccc2OC)c(OC)c1 526607880 YZAOXXACGWTLIC-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE Cc1ccc(SC2=C(N(C)c3ccccc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526686126 RRRSYAJCVPIHAJ-UHFFFAOYSA-N 425.513 4.880 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccc(C)c1 526831507 SNGUHPOUYRONNN-QRVIBDJDSA-N 426.542 4.872 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2c(F)cccc2Cl)nnc1-c1ccccc1OC 541287800 XATWQJZHYNXZIG-SFHVURJKSA-N 447.919 4.939 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cn1 549208411 OIWPANMYLUOOPR-ZDUSSCGKSA-N 440.569 4.768 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(c2cnn(C)c2)CC1 549253432 VMIKFGWFJVKVRP-UHFFFAOYSA-N 448.615 4.983 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 549604108 REDSBNMJDDEHSH-LJQANCHMSA-N 448.596 4.725 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 549686099 WNWDFKPBEMXFBZ-ZHRRBRCNSA-N 446.473 4.651 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](c2cccc(O)c2)C1 574846354 IRQVISHALDUKNG-DEOSSOPVSA-N 448.567 4.758 30 10 IJEE N#Cc1ccc(CN(CCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586158764 JWHLMADNOOQOOL-UHFFFAOYSA-N 428.916 4.784 30 10 IJEE N#Cc1ccc(CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c(F)c1 609229710 LIBJNQHPPZWUKV-UHFFFAOYSA-N 448.885 4.596 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1Cc2cccc(Br)c2C1 642726877 HDQBYACVODWPMA-FQEVSTJZSA-N 437.341 4.813 30 10 IJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 710803439 VLJLGLFCIWKSDN-PVHODMMVSA-N 434.624 4.543 30 10 IJEE C=C(COCC)[C@H](NCCC)c1ccc(I)c(Br)c1 721614535 PJWIKTRSUMQQBW-HNNXBMFYSA-N 438.147 4.687 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 730488008 GUVVXVVKYATZML-UHFFFAOYSA-N 429.448 4.909 30 10 IJEE CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc1 744033609 WJSOUIQHQBOLJG-RXXLQFRUSA-N 444.409 4.633 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@]3(CCCOC3)C2)c1=S 747472825 NPUNUZGSCSZDAD-QFIPXVFZSA-N 449.020 4.683 30 10 IJEE CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 797450796 USIKJWUHTVBOSO-CQSZACIVSA-N 433.339 4.584 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1c(C)cc(C)cc1Cl 799223186 GJJXNJYQXMYBGJ-SFHVURJKSA-N 445.972 4.946 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 915117725 DIJCLGFGLDNXEW-IBGZPJMESA-N 447.608 4.774 30 10 IJEE O=C1C[C@H](c2cccnc2)c2c(ccc3c2O/C(=C/c2ccccc2OC(F)F)C3=O)O1 1081780992 YVTDSUHUGWLZKM-MWJIIQFGSA-N 435.382 4.740 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(CCC)Cc2ccc(F)cc2F)nnc1-c1ccco1 1124940874 GXOCKMXYLLNPCM-UHFFFAOYSA-N 446.523 4.923 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 1125647881 URJLGKBBUFYENQ-UHFFFAOYSA-N 433.266 4.975 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@](C)(C(=O)OCC)c1ccccc1 1128138057 BWAFMMYOAVSVTI-QFIPXVFZSA-N 435.442 4.521 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)ccc21 1129369524 FUWMKNGNWBBAKL-UHFFFAOYSA-N 449.526 4.733 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCc2occc2C)c1 1129527364 KSFJSIRXFHHJSL-UHFFFAOYSA-N 444.940 4.553 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 1129879601 LYGCFMSMXGBMBU-UHFFFAOYSA-N 449.454 4.973 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 1136228936 ZLAIRNZVMKBOPP-NFBKMPQASA-N 443.632 4.927 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CN[C@H](c1ccccc1)C(F)(F)F 1161337071 UPIXRJJYPKPMOB-GOSISDBHSA-N 443.263 4.846 30 10 IJEE C#C[C@H](N[C@@H]1CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C1)c1ccc(Br)cc1 1182043815 PAEWQCVXGPPLIS-TWMKSMIVSA-N 432.280 4.623 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)C1CSC1 1195977383 DNPHSUXILQJTBX-UHFFFAOYSA-N 447.423 4.589 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccc(-n2nnnc2C)c1)c1ccc(C(F)(F)F)cc1 1197954541 OLLZHBJIGGFLKL-IBGZPJMESA-N 430.434 4.819 30 10 IJEE C#CCOCCNC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1210856678 NXLHJGMNLNLAAW-SFHVURJKSA-N 430.335 4.556 30 10 IJEE C=CCCC1(CNC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CCCC1 1214594963 OWHJQTPNHLBYKK-UHFFFAOYSA-N 449.617 4.518 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1219462676 LAGYSLVCZPXRFM-QHCPKHFHSA-N 449.551 4.662 30 10 IJEE C=CCc1cc(CNC(=O)NCCn2ccc3cc(Cl)ccc32)cc(OC)c1OC 1221552475 RDHYLRJFLAJILG-UHFFFAOYSA-N 427.932 4.540 30 10 IJEE C=CCC1(CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CCCC1 1223877462 IMNWISLDHUYJCM-LJQANCHMSA-N 431.577 4.697 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccc(F)cc1 1230478115 CRMGBIAEGYMSAK-LADGPHEKSA-N 436.458 4.745 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1 1230499299 UDRWCUYPKLXNIA-QHAWAJNXSA-N 445.332 4.824 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(F)c(F)c1 1234554920 GLNRZVGVVXJPLS-OOSNJVJTSA-N 449.542 4.917 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCOCC12CCCC2 1251614766 VBMILCMTQXCHRN-GOSISDBHSA-N 425.342 4.635 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCCO2)C1 1256718590 CJQVAFKBDWTMOT-JKSUJKDBSA-N 444.988 4.774 30 10 IJEE C#CCN(C(=O)CCCOc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1265209132 UTBNWIWSJMBZSA-FQEVSTJZSA-N 428.326 4.594 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OC)CCCCC1 1286367299 ILKYOIZARYHQNX-UHFFFAOYSA-N 434.540 4.536 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCCCCSC 1286422843 BNVZVRYKDUJPAO-UHFFFAOYSA-N 445.430 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](CCC)OC 1286516392 BYVNWUVUPIADQH-CJFMBICVSA-N 440.588 4.548 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Cl)s1 1286560778 IWFIIUCSTJHJND-JXFKEZNVSA-N 444.004 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCC[C@H]1C 1286567904 YDMKBVYJWSXAIM-VGSWGCGISA-N 447.421 4.970 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1286610909 DBLBQYOVHWSKPT-FQEVSTJZSA-N 445.007 4.915 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC[S@@](=O)C(C)(C)C)CC1 1286638697 JNPOMEHBKKIJQU-WJOKGBTCSA-N 437.613 4.505 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1286673881 HSOQHFDZIJIWFR-UHFFFAOYSA-N 430.543 4.599 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1286695748 GYCKONAMXAOXJP-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1Cc1ccncc1Cl 1286744803 MVBVHCNVZIZJMV-UHFFFAOYSA-N 448.933 4.692 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CCC(=O)NC1CCCCC1 1286747931 QQVWBFLHQNGFTN-UHFFFAOYSA-N 439.579 4.716 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCCSC)C1 1286803329 GNKRVUOWJLKWJW-IBGZPJMESA-N 437.613 4.726 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)S[C@H](C)C1 1286822470 DSMRGHQPHXXETA-BBWFWOEESA-N 436.622 4.807 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CCN1CCCCC1 1287597467 HYCVAAFEDVKUQU-UHFFFAOYSA-N 429.012 4.851 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cscc1C 1300281983 FPKIVEOLQBTZBC-CQSZACIVSA-N 445.386 4.592 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1300644124 RTRZKWQWHMOYIK-RBBKRZOGSA-N 426.630 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1CCSCC(F)(F)F 1300801286 LWZFLFNGTAVJDK-HXUWFJFHSA-N 433.503 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1300806143 QGZROYWTYRZCOX-AFMDSPMNSA-N 438.616 4.755 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1300824297 QWKWFAWMZJPEAS-LJQANCHMSA-N 428.378 4.641 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)[C@@H]2CCCN(c3ccccc3)C2)nnc1C(C)(C)C 1300896201 COKDJBYMOUVUMB-WWNPGLIZSA-N 437.632 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@](C)(OC)C1CC1 1300901188 MRXVAYVXWXDFCR-NRFANRHFSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@H](C)C1 1300907936 VIWKUDXWLJKFRS-FQEVSTJZSA-N 439.604 4.588 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C)CC1 1300981057 XPAQTLUIQIIFCO-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=C(C)COCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(Cl)c1 1301000989 APLYFFGHJULWMS-KRWDZBQOSA-N 434.878 4.711 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1301023170 CMWRWWSQRNWTAA-LJQANCHMSA-N 434.769 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301160430 QRQGNTBBQJPKCJ-NRFANRHFSA-N 448.615 4.885 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1C(C)C)c1ccccc1 1301168055 KYAMPCUQNTYGJI-SBFWRKJZSA-N 438.616 4.987 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1301178653 QZKIGZRHCCBEFA-UHFFFAOYSA-N 442.567 4.924 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301208529 YKQPSPCOABUTLO-GOSISDBHSA-N 429.565 4.648 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCSC1 1301338445 YLLMDYOXJNWKLY-FQEVSTJZSA-N 435.597 4.603 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)C(C)C 1301410712 KQCCWCRYOAYLOO-AREMUKBSSA-N 447.583 4.672 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@@H](OC)C(C)C)C1 1301541917 GKUZWUIARURIMI-DFQSSKMNSA-N 444.645 4.584 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1304067345 PGPCWOUBYTXVNP-RBZQAINGSA-N 436.596 4.809 30 10 IJEE CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 1307474841 GFYNEQKJDRYNKI-GOSISDBHSA-N 442.003 4.976 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1)c1ccc(Br)cc1 1310321215 FECQQPRLQVKLFK-IBGZPJMESA-N 437.297 4.836 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1310603891 DDZWRLKOTKEYTJ-UHFFFAOYSA-N 439.519 4.818 30 10 IJEE Cn1nccc1C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)C)CC1 1314931683 HHVSCGRMXQOPBT-UHFFFAOYSA-N 431.588 4.761 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCc2ccsc2)c1 1350402498 SCLMTGJJJXULHF-UHFFFAOYSA-N 446.981 4.713 30 10 IJEE Cc1cccc(N2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)c1C 1354057252 ARUHYYXTVJATHT-UHFFFAOYSA-N 425.532 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1358883672 ZRYOMAUMEVFIEP-KRWDZBQOSA-N 443.567 4.626 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1358934553 FRDYPEGQXXAVHO-GOTSBHOMSA-N 436.600 4.530 30 10 IJEE C=C(Br)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCC1 1359077411 BKZOOGWIKGJYTN-UHFFFAOYSA-N 430.375 4.886 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1359146193 QEVRDLOVTLWMHU-JOCHJYFZSA-N 449.020 4.827 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1359222430 IMZODXWJPOWING-JPYJTQIMSA-N 443.979 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1CCCCO1 1359263474 CCFJKXZDBZTGDQ-UXHICEINSA-N 430.618 4.776 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@@H](O)C1 1359267960 YLNKVORLCSAOMU-DOTOQJQBSA-N 449.368 4.576 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC(=C)Br 1359275174 MGXDHJSVOHHJIJ-UHFFFAOYSA-N 438.373 4.792 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(OC)CC1 1359310396 VFJDLTDCHNUJAR-DHLKQENFSA-N 440.588 4.528 30 10 IJEE C=CCSCCn1c(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C 1359346722 SRDKWJGGFULQBJ-INIZCTEOSA-N 449.690 4.827 30 10 IJEE C#CCOc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)c1 1360164553 XHYNPEUHPIRFDG-UHFFFAOYSA-N 426.303 4.932 30 10 IJEE C#CC[C@H](COC)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1438158575 VUBAOKXSDPVULH-QGZVFWFLSA-N 439.353 4.685 30 10 IJEE C#CCN(CC(=O)NC1CCC(c2ccc(C(C)(C)C)cc2)CC1)C(=O)OC(C)(C)C 1449109549 YMUMSGXXPSDSKG-UHFFFAOYSA-N 426.601 4.997 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2COC3(CCCCC3)O2)cc1OCC 1461381490 YZCILKBFUJNETC-QGZVFWFLSA-N 440.378 4.578 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)CCCN1C(=O)OC(C)(C)C 1464342148 UONKFRCBZAFVCD-MHZLTWQESA-N 449.595 4.975 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(NCC3CCCC3)cc2)cc1 1465256834 DBTFYJZVIDVYRX-UHFFFAOYSA-N 442.585 4.739 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 1472928796 QCHWSZYSDOSIGG-IBGZPJMESA-N 442.606 4.754 30 10 IJEE C=CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@@H](C)C3 1472961079 MOYXPFASPXTZJI-OAHLLOKOSA-N 442.606 4.875 30 10 IJEE C=CCN(C(=O)CN(C)C1(COC)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1473343487 NHJLHPROOOSHSW-UHFFFAOYSA-N 440.396 4.747 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1CCN(Cc2cccc(C#N)c2)CC1 1474195882 GBFNVZHXHWBYMQ-UHFFFAOYSA-N 437.950 4.599 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 1475900221 MKRMSTTZGUNJCZ-IRXDYDNUSA-N 431.577 4.831 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1476661793 HWPGTEPYLYLRGK-LJQANCHMSA-N 443.569 4.767 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCOC[C@@H]1C 1507519746 KBJDCXRQAAIIKT-HRCADAONSA-N 428.989 4.944 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC1CC(OC(C)(C)C)C1 1507527303 HFYMNPLJVHGJTM-XEVCZEQESA-N 433.600 4.879 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507569416 FONIOWRDEXIMRD-QHCPKHFHSA-N 433.644 4.568 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1Cc1ccc(CC)s1 1507697542 ARFSEGNJMKLZFG-UHFFFAOYSA-N 426.611 4.711 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cc(C)on1 1507927241 ZOISJASEYISJMJ-UHFFFAOYSA-N 430.350 4.997 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CC=CCC1)C1CC1 1507996339 WVGMRLWTBRMXFB-UHFFFAOYSA-N 435.616 4.571 30 10 IJEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1517184872 DGYLTZOKKQLNIK-UHFFFAOYSA-N 440.985 4.867 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cc2sc(CC(F)(F)F)nc2C)cc1 1517877466 GDBZGSQROABTHQ-UHFFFAOYSA-N 426.460 4.747 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1 1521544358 AJQUAXJUJTWCLG-UHFFFAOYSA-N 433.508 4.937 30 10 IJEE C=CCN(C(=O)[C@@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1522119136 KUWXFGXYCGDELA-MJGOQNOKSA-N 445.560 4.924 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-c3csc(C)n3)cc2)CCCN1C(=O)OC(C)(C)C 1523456267 VXZJVGYLDDXEHV-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(N4CCCC4=O)cc3)c2C#N)C1 1527276816 FTOIFWDMNISXFR-INIZCTEOSA-N 437.565 4.525 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(Br)cc1Cl)c1ccc(Br)cc1 1528089227 XOSJZACTIYWEOX-MRXNPFEDSA-N 441.550 4.898 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc1 1531316304 JIVKPGIGBYIBJV-OAQYLSRUSA-N 434.536 4.575 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@@H]1CCCOc2ccccc21 1534029099 FFUHLTXHNADIMK-GOSISDBHSA-N 446.297 4.555 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCC[C@H](C)C1 1539352173 SJUQKOSZBWKWQN-SFHVURJKSA-N 431.987 4.709 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC1CC(F)(F)C1 1539540826 WBDSBVIMSVNBIL-QGZVFWFLSA-N 441.345 4.807 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1539684952 OMGRJLIBCVDAKU-OAQYLSRUSA-N 436.991 4.771 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1539690721 GMAKAMWEMIPWAR-WOJBJXKFSA-N 430.980 4.967 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CCC1 1539816785 DXENSWPTHBNZNY-UHFFFAOYSA-N 425.758 4.608 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)c2ccccn2)CC1 1539840580 YGODERWFWQFBLC-UHFFFAOYSA-N 447.583 4.882 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539911102 WQXXCZSISVVPFT-QAPCUYQASA-N 433.394 4.517 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1539982644 YQMQMSKXPUCNDV-IBGZPJMESA-N 429.996 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCC1CCN(CC(F)(F)F)CC1 1540056687 RGJNFINPYHODHR-UHFFFAOYSA-N 447.505 4.978 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(Cl)cc1 1540194624 VJKTWCMLWWOJDJ-UHFFFAOYSA-N 432.355 4.528 30 10 IJEE C#CCOCCSc1nnc(COc2ccc(OC)cc2)n1-c1ccc(C)c(Cl)c1 1559309991 LATWETFGSMXPPQ-UHFFFAOYSA-N 443.956 4.559 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCC(CCN3CCCC[C@H]3C)CC2)ccc1Cl 1559595266 CCYOHVICORSWJZ-OAQYLSRUSA-N 445.051 4.872 30 10 IJEE C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1cccc(OC(F)(F)F)c1 1562613035 DSLGGBSZOHTZSU-LBPRGKRZSA-N 433.365 4.664 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 1564385770 ROWPUMVBRBJUML-FGZHOGPDSA-N 439.600 4.818 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C1 1566816525 KQMIFDIUOZLGNZ-LJQANCHMSA-N 449.576 4.908 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)cc1 1568809319 GLSLJPQKLYCPNV-UHFFFAOYSA-N 442.924 4.854 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc3ccc(C)cc3[nH]2)nnc1-c1ccc(Cl)cc1 1583816166 JIVLOKBXRMEECM-UHFFFAOYSA-N 438.944 4.700 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1ccccc1 1584687765 HTOXJOUFWGZFQV-FQEVSTJZSA-N 449.293 4.898 30 10 IJEE COC(=O)c1ccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1 1585477231 DONNYEKXYHGUKU-UHFFFAOYSA-N 426.881 4.782 30 10 IJEE C#CCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CCOc2ccc(Br)cc21 1586216462 IDERIRZIJQSQMQ-HNNXBMFYSA-N 449.688 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC[C@H](C)C1 1587600401 YLDSQWYHQPCTQY-JYJNAYRXSA-N 431.378 4.610 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@@H](C)C1 1588104916 CZAXLLNIXQQEQE-AEFFLSMTSA-N 425.374 4.525 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1589443370 RLUHWKHDSJZOSO-IAGOWNOFSA-N 431.378 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)C1CCCCC1 1589570372 UNFXPTZINFCXFQ-FJIJXJHWSA-N 440.636 4.526 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NCCCCC)CC1 1593610779 FDWDACYODPSOTC-UHFFFAOYSA-N 429.996 4.697 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1593666753 VHTCPXYVWDZZQM-QHCPKHFHSA-N 437.632 4.690 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1593703042 BIAMXAPPAOVLBU-QFBILLFUSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1594202076 FGIKSVUDRHMBQZ-FNZWTVRRSA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)c2nc(C)cs2)CC1 1594241694 ZPTUXFOZINLCEC-INIZCTEOSA-N 425.577 4.979 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1594600546 YGMUNVXBEWAVPS-NRFANRHFSA-N 446.599 4.588 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@@H](C)CCC 1595500659 ATAQZNZDORHSKI-INIZCTEOSA-N 441.576 4.740 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1595855142 ZJVCYYVDDJDQQE-NRFANRHFSA-N 436.629 4.674 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O)c1ccc(C(F)(F)F)cc1 1597057500 HUTSYXRVXACPAC-FOIQADDNSA-N 444.453 4.822 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC[C@H]2CCCCO2)c1 1611916761 GFEYQDCKMUVRAT-NHCUHLMSSA-N 425.577 4.562 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)CN1CCCC1 1613459043 FWLFGZSREUKPLP-QHCPKHFHSA-N 434.632 4.682 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C(=O)OC)n1C)c1ccc(C)c(C)c1 1616627590 SFOHHFPUWJVLCI-UHFFFAOYSA-N 432.520 4.840 30 10 IJEE C#C[C@H](N[C@@H](C(=O)Nc1nc(-c2ccc(CC)cc2)cs1)c1ccccc1)[C@@H]1CCCO1 1617358864 CMPIKIUIQGLNSO-OEMFJLHTSA-N 445.588 4.823 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)c(OC)c1 1618005447 XROSGTFSJZNICY-FQEVSTJZSA-N 444.369 4.799 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1ccccc1 1618589953 RTFFLQWGVDRKDM-PMERELPUSA-N 436.562 4.859 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1620838007 AFGDWTJZLSSLTG-UHFFFAOYSA-N 430.361 4.642 30 10 IJEE N#Cc1cccc(OC2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4s3)CC2)c1 1621768564 COLOOBGCNORJFK-UHFFFAOYSA-N 432.954 4.658 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](Cc2ccccc2)c2cccs2)c1 1621782063 CRBWVFKGAIZJBC-GOSISDBHSA-N 447.379 4.645 30 10 IJEE C=CCONC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 1624259133 DLAPWZTWMYKRGN-UHFFFAOYSA-N 436.581 4.866 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)c3cc4cccc(C(F)(F)F)c4nc3O)CC2)cc1 1626793197 MLNPSMXNVXJNTJ-UHFFFAOYSA-N 441.409 4.514 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1629652444 XIJDWOAPBFGEIN-UUOWRZLLSA-N 447.551 4.701 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Br)cc3CC)n[nH]2)c1C 1631049922 PCTQECNGPHZIMH-UHFFFAOYSA-N 428.334 4.653 30 10 IJEE C#CC1(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CCCC1 1633145420 QIYDZNIDWDYHIQ-OAHLLOKOSA-N 437.590 4.748 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@H]2COC(C)(C)C)nnc1-c1ccc(Cl)cc1 1634243583 FBLAKJYZNJBYOF-SFHVURJKSA-N 449.020 4.683 30 10 IJEE Cc1ccc(SC[C@H](C)NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 1634378410 GPAUEHRXRFEBQJ-KRWDZBQOSA-N 427.545 4.739 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(C(F)(F)F)c(F)cc3C)ccc2c1=O 1637072830 HXGKFCBWXCJCMM-UHFFFAOYSA-N 437.418 4.590 30 10 IJEE C#C[C@H](NC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1ccc(Br)cc1 1637663561 UWSFVILOJIHKDG-CVDCTZTESA-N 442.353 4.654 30 10 IJEE C=C1CCC(C(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CC1 1640172738 PTMHNZGOAWXVPG-NLFFAJNJSA-N 426.557 4.752 30 10 IJEE C#CCN(C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCOc2ccc(Br)cc21 1641795713 PLOFHVUZJLEOMQ-OALUTQOASA-N 438.724 4.734 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1645444916 HAUJFENKNXEIBH-UHFFFAOYSA-N 426.948 4.881 30 10 IJEE C=CC[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)C1 1647863646 LORDBPGHRJAMQI-ZHRRBRCNSA-N 442.485 4.685 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CC)C(=O)OC(C)(C)C)cc1OCC 1651250088 OBQRISPTZAPTTF-INIZCTEOSA-N 428.367 4.623 30 10 IJEE C=CCOc1ccc(-c2nnc(SCc3ccc(C(=O)OC)c4cccnc34)o2)cc1 1651861761 LLWYJNAKOJTADY-UHFFFAOYSA-N 433.489 4.929 30 10 IJEE C=CCn1c(SCC(=O)N(CC(C)C)C2CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652349118 MXGKGBJTIGIEKT-HNNXBMFYSA-N 445.654 4.508 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21 1653456655 ILVBZTCAHUBDDL-UXHICEINSA-N 430.548 4.566 30 10 IJEE Cc1cc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1-c1ccccc1 1655076026 GEYHNPDILGVZKC-UHFFFAOYSA-N 441.350 4.775 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C)N2CCC[C@@H](C)C2)cc1OCC 1656044558 FXCPDUJAJOSQRI-IAGOWNOFSA-N 425.411 4.623 30 10 IJEE CCN(C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 1657036757 GIVQYGKLXMDFBK-QFQXNSOFSA-N 447.604 4.969 30 10 IJEE Cc1ccccc1[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[C@@H](C)CO1 1657356434 HVAIBLJMITXWPM-MHECFPHRSA-N 434.584 4.801 30 10 IJEE C/C(=C\c1ccccc1OC(F)F)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1660214437 BRKSFHCANHAHRA-NBVRZTHBSA-N 449.505 4.775 30 10 IJEE CN(Cc1ccc(F)cc1Br)C(=O)Nc1ccc(C#N)c(Br)c1 1669823187 CHPMFPXQQMUCET-UHFFFAOYSA-N 441.098 4.886 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1671793600 LVZGBHBZRITSHI-BJKOFHAPSA-N 446.934 4.841 30 10 IJEE C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 1680184818 AFXDHZISDOJACU-KRWDZBQOSA-N 430.474 4.602 30 10 IJEE C#CCN(C(=O)NCC[C@]1(C)C[C@@]1(F)Cl)[C@@H]1CCOc2ccc(Br)cc21 1683566463 YGPINGHRHLHJFT-LZQZEXGQSA-N 443.744 4.622 30 10 IJEE C#CC[C@H](COC)NC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 1684425618 ODWIRIZQBDYZBH-OAHLLOKOSA-N 425.287 4.762 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 1684552468 GKGTZVTZGGXAIG-VWLOTQADSA-N 443.588 4.717 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(OCC2CCCCC2)CC1)c1ccc(Br)cc1 1686920347 WQEZPIFQZAOZRG-OAQYLSRUSA-N 433.390 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)C(C)C 1689837191 ANDFLHYCKUPQFP-QMHKHESXSA-N 426.561 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)CCC(C)C 1690195780 PKVQLPVUMXSISF-KAYWLYCHSA-N 445.611 4.981 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C1CC1 1690221883 BNTDKPLHOVJTCC-UHFFFAOYSA-N 446.574 4.868 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CCCN2CCC(C)CC2)CC1 1690415130 YPFMLCAQUQNNMK-UHFFFAOYSA-N 435.660 4.978 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1690568052 YYGMSNKDNKWNQD-LJQANCHMSA-N 443.567 4.565 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccncc1Cl 1690605381 IASHAELLMIWDAT-UHFFFAOYSA-N 444.926 4.742 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(C)CCCO2)C1 1690690130 RVKHIJNXCJYXPT-HRAATJIYSA-N 437.371 4.602 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 1705518463 QTVBNUVNZQYBCM-HNNXBMFYSA-N 426.433 4.729 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(OC)CC1 1705526274 CSITZRXZXBGUQS-UUOWRZLLSA-N 426.630 4.940 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](c1ccsc1)N(C)C 1705544749 CMXHWOQCVRTYNX-LPHOPBHVSA-N 439.654 4.565 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1705659939 JPXPMZUMEOHRKK-XZOQPEGZSA-N 438.641 4.906 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC=CO1 1705669437 MVKVDSRDUCFTJB-IIBYNOLFSA-N 445.336 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(C)(C)C)C1 1705694743 DYCBQKKHZFYKCA-DYXWJJEUSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)C1 1705696896 IXXVMBVEQGADTI-IIMDRIAPSA-N 430.980 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1ccco1)N(C)C 1705711595 ADOAJPOPNNLZAT-LJQANCHMSA-N 443.979 4.905 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@@H]1C(=C)C 1705712148 LGNSAYXDRGAEQT-DYESRHJHSA-N 430.980 4.991 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1705721438 ZKAYHRAHBKTOCB-YLJYHZDGSA-N 439.947 4.700 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705758661 CLIKRDRTLLEGLC-PMACEKPBSA-N 444.023 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705794217 ZLMYDQYEWVLAIA-JOCHJYFZSA-N 440.632 4.926 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1705856211 KNMVRSXANXHSOI-GOSISDBHSA-N 443.592 4.516 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(OC)CCCCC2)C1 1705918274 GDBMJSZPSJROCC-SFHVURJKSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccccc1 1705947579 PSFBGFHGUWGBNA-IBGZPJMESA-N 432.597 4.633 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@](F)(C#N)C1 1709638722 DSOBJUTWKFQKCG-DHLKQENFSA-N 438.595 4.604 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722310963 ANLMNNKLYMYCPT-HDICACEKSA-N 446.542 4.883 30 10 IJEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCc1nc(C(C)(C)C)cs1 1722349439 NNTXZRZXGHGMAJ-UHFFFAOYSA-N 430.581 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1c(CC)noc1C 1722391104 ZTKQUDJOUXQFMI-KRWDZBQOSA-N 447.608 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccco1 1722502067 HUOPIVPXASLMBA-YKSBVNFPSA-N 436.556 4.685 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(Cl)s2)CC1 1722562881 OTYDUWNFOGBALG-UHFFFAOYSA-N 430.961 4.882 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCOCCc2ccccc2)CC1 1722578284 GKDKIBMUCSEJAN-UHFFFAOYSA-N 431.584 4.700 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCc1ccc(F)cc1Cl 1722674429 FWRJRBPUEJJRFY-UHFFFAOYSA-N 431.968 4.847 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722742842 IYYLBRQXOKGJRR-SJLPKXTDSA-N 440.535 4.719 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1cccnc1)C(C)C 1740536240 BNWVYDFNIIEMHA-DYESRHJHSA-N 439.510 4.839 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740565920 LFKHHCXDRXOXFW-FQEVSTJZSA-N 440.588 4.550 30 10 IJEE C#CCCCn1c(-c2ccccc2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1740588016 FUIZTMVYWNPADZ-CBQGHPETSA-N 449.599 4.725 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](SC)C(C)(C)C 1740631187 ILTXTMSFOXGEPP-PXNSSMCTSA-N 445.032 4.922 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(Cc1ccc(F)cc1)C(C)C 1740756065 FJKPBGJZAJYMGI-NZQKXSOJSA-N 437.563 4.819 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(OC(C)(C)C)nc1 1740770344 OYGOHVKWHYDNEU-UHFFFAOYSA-N 449.555 4.697 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)CN2CCCC2)CC1 1740836771 SRIRFMOCIFBJIT-SFHVURJKSA-N 445.558 4.681 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Cc2cccs2)CC1 1740840685 IFLHVLWCINLYFS-INIZCTEOSA-N 427.643 4.977 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1740862485 UPMWELXTMBXECS-QGZVFWFLSA-N 437.544 4.568 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)s1 1740878190 TYKZZEJHRJFNRL-UHFFFAOYSA-N 432.391 4.691 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](OC)[C@H](C)CC)C1CC1 1740906777 RGQIFKYQPWDDMI-BEFAXECRSA-N 433.394 4.924 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1nc(C)cs1 1740923491 NDJCDGBQQGSYEJ-DOTOQJQBSA-N 429.615 4.605 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C1CCCCC1 1740933717 CSFUEKDSSJQQFG-OTPAQWSUSA-N 430.637 4.706 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(C)s2)cc1 1740966680 OUXBNHMVPOIQDW-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccoc1 1748706133 ARVHEAMNGZJNHF-UHFFFAOYSA-N 443.345 4.749 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1748856098 SAJOLGIZSPUWKC-HOFKKMOUSA-N 448.611 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](CC)N1CCCC1 1749054563 WESCTWQSHQMJSJ-QSEAXJEQSA-N 449.643 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749124371 NAKJEWYGWDGLNL-WDZJFXIESA-N 438.616 4.876 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1749220455 IESLKDPNLVFGJL-NHCUHLMSSA-N 445.007 4.975 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN(CC)CC)C1 1749251642 HNWLNLADHTYEDE-SFTDATJTSA-N 446.039 4.956 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)[C@H]1C 1749256790 CJMSAPSFAKHORU-GHMZBOCLSA-N 433.828 4.852 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1749404103 RONQJQDILQILCP-DHIUTWEWSA-N 436.648 4.711 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC=CCC1 1749545239 YXLJGIVTTOVNGW-GOSISDBHSA-N 434.569 4.536 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCc1ccc(Br)cc1 1749573030 JVWWRKDRAAEBSA-UHFFFAOYSA-N 438.373 4.832 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC(C)(C)C)n1Cc1ccc(-n2cccn2)cc1 1750792772 HXRVVWPJJHFWIK-UHFFFAOYSA-N 433.604 4.867 30 10 IJEE C[C@@H]1C[C@H](CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1752014908 DRMZMGAUZYDVNY-PMAPCBKXSA-N 427.980 4.934 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccoc1C 1760276733 NSLGGBNWKSWJHN-UHFFFAOYSA-N 430.961 4.511 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1760370117 HSVNMSBLCNPWSN-FQEVSTJZSA-N 430.980 4.561 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCCOC)cc2)CC1 1760402374 KZUARLHVPXJEBX-UHFFFAOYSA-N 426.605 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760410298 ZRDVHKFCHMPDMR-SFHVURJKSA-N 435.576 4.833 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1760437675 LDGRSYFSNVMHFD-QGZVFWFLSA-N 445.493 4.672 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC(=C)Br)C1CC1 1760472488 MHSWTXCYBPXSKL-UHFFFAOYSA-N 438.167 4.771 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760481498 ASMFOIPHWCGGCD-GOSISDBHSA-N 427.593 4.681 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1nnc(C(C)(C)C)s1 1761357610 GOUSWCNBPBQBEK-CQSZACIVSA-N 435.557 4.627 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)n1 1762468483 AFOGAIWFEKVNRB-GOSISDBHSA-N 431.588 4.593 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCOCC2)C1 1764376828 DXDGSOGULSIKCR-UHFFFAOYSA-N 439.629 4.745 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1C[C@H]1CCC(F)(F)C1 1771099852 CPHWDQYNGPGCCP-FQEVSTJZSA-N 443.542 4.896 30 10 IJEE CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)ON1C(=O)c2ccccc2C1=O 1772789620 CENZXGFBBUVSSV-UHFFFAOYSA-N 445.258 4.969 30 10 IJEE CCN1CCc2nc3ccc(Cl)cc3c(C(=O)Nc3oc4c(c3C#N)CCCC4)c2C1 1859661091 JWKONACWCXKWSL-UHFFFAOYSA-N 434.927 4.862 30 10 IJEE C[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)OCc1ccccc1 1860826442 CDBQJZJVEIGBKM-ZDUSSCGKSA-N 425.897 4.598 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)Cc1ccc(OC)cc1 1861847018 DTOBBSRFEXQBPW-QFIPXVFZSA-N 436.662 4.733 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862488095 QQALNVMZKBBKOP-LJQANCHMSA-N 428.872 4.935 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)c(OC)c1 1862551813 YNDCMQMRONWKRD-VOIUYBSRSA-N 449.547 4.959 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862557540 MTQMYZQRQBAIRD-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(C)cc2)c1 1862699107 QBYLLRLTVLPMEY-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2cccs2)C1=O 1863119918 MMEZQFTZEOJFST-UHFFFAOYSA-N 440.528 4.617 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863315287 HTGKZBNDQNDBBJ-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(Oc3ccc(OC)cc3)CC2)n1 1868268536 OBWANAUFLCHMNH-UHFFFAOYSA-N 429.524 4.711 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)ccc3[C@H]2C)nc(-c2cccnc2)n1 1869365054 LFOCIVPLMAEDEP-LJQANCHMSA-N 427.552 4.849 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN(C)CCO 1870408497 FIRVGJDVDGJTMW-UHFFFAOYSA-N 435.008 4.865 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1cccc(F)c1 1871041801 FTUIRFKRDKXDGT-UHFFFAOYSA-N 438.499 4.642 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871345420 UBIVFTKRQQMFKL-OYKKKHCWSA-N 447.462 4.681 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(-c4ccccc4)cc1)O3)CN(CCN(C)C)CO2 1871346502 JROLDTWEOUANBT-XYGWBWBKSA-N 440.543 4.992 30 10 IJEE CCc1ccc(/C=C2\Oc3c(CN(CCO)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1 1871393738 HOYXBQFTSOHZMN-XYGWBWBKSA-N 443.543 4.874 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 1871418855 QZAPNHIIGZUYEA-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OCC(=O)OCC(C)C)ccc3C2=O)c2cc(OC)ccc21 1871427737 QZCBTLPFQRNVMH-VROXFSQNSA-N 449.503 4.864 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1Cl 1871453092 GHIWDBDMBQLODC-JAIQZWGSSA-N 439.851 4.884 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871780175 LUHLIXJZTGZULU-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871895218 NHCQPJCJISUFFE-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871901161 UHXUGVWFHRNWOU-XMMPIXPASA-N 434.561 4.860 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C 1872311332 JWJGGPDEYNNLTH-JOCHJYFZSA-N 444.597 4.542 30 10 IJEE Cc1cc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)ccc1F 1872772960 VDSBDYQWVGSBHM-OAHLLOKOSA-N 440.412 4.873 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(F)c(F)cc3F)C2=O)cc1 1873235531 DELKBRIEOTWFJS-UHFFFAOYSA-N 447.416 4.676 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1ccc(NC(C)=O)cc1)n2C 1873619783 NBWHRHGYIYBKBT-UHFFFAOYSA-N 436.560 4.951 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc(F)c1 1874221456 LPDGIKNOBBGJJA-LFVJCYFKSA-N 426.517 4.598 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1cc(C)ccc1O 1874241191 TZSYXMPCSZJQNF-ZMOGYAJESA-N 438.553 4.820 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2/N=C/c2ccc(CC)cc2)cc1 1874259843 VMWHFXMHIVXCFD-KOEQRZSOSA-N 438.597 4.729 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874284709 UKQCSQQWEXKWPT-LPYMAVHISA-N 445.932 4.715 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccncc1 1874288873 SBMIJEPGJDUEFF-VULFUBBASA-N 449.511 4.574 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc(OC)c1O 1874323297 IKHXRMDRRKAFTM-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccco2)cc1 1874374880 RVKQHLVULDMQTJ-AFUMVMLFSA-N 449.511 4.522 30 10 IJEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2nc(O)c3ccccc3n2)cc1 1874491104 ZRQOBFBCRRJSEL-ZMOGYAJESA-N 432.553 4.608 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874511274 RGPBNWRIHHEOQM-HUSFYUSLSA-N 441.988 4.736 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])NC1CCCCC1 1874613285 MLWLNHKYOWZJQF-WUXMJOGZSA-N 442.899 4.972 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 1891434964 VKXJVBTYHMNSGT-UHFFFAOYSA-N 425.532 4.670 30 10 IJEE C#CCO[C@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)C1 1892122260 CHNHAAORAYZSAX-QHCPKHFHSA-N 433.511 4.828 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)cc1F 1894896255 WSXBHKFXOWDYSD-DLBZAZTESA-N 431.321 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(OC)c(Br)c1 1922114623 ZWLHITCXLQWSRO-YADHBBJMSA-N 434.374 4.632 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H]2NC(=O)OC(C)(C)C)c1 1943913993 XYXITSQAIUQUDX-MBSDFSHPSA-N 431.533 4.776 30 10 IJEE C=C(Br)CCNc1cc(Br)ccc1I 1956010743 DVWMDJWCJCWQHA-UHFFFAOYSA-N 430.909 4.764 30 10 IJEE CC1(C)OB(C2CCN(C(=O)C=Cc3ccc(Br)s3)CC2)OC1(C)C 1962971609 SCKXKNFJCXDJPX-UHFFFAOYSA-N 426.185 4.609 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1976248257 NGFYAYORFLUMKM-ZDUSSCGKSA-N 445.151 4.701 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cc(Br)ccc1F)C1CC1 2033813317 OAXSZNAPBWRXDR-INIZCTEOSA-N 436.302 4.524 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038917813 XICGJLWADYXOEO-XCZPVHLTSA-N 434.624 4.817 30 10 IJEE Cc1cccc(C#N)c1NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2067207605 SDNSJZIJGACKIU-UHFFFAOYSA-N 434.584 4.838 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1 2067354643 NOWJMDCFGOQFLJ-QFIPXVFZSA-N 444.536 4.997 30 10 IJEE CCc1nn(-c2cc(F)c(F)c(F)c2F)c(I)c1C(F)(F)F 2079684113 MHBYDOMJGAUHJN-UHFFFAOYSA-N 438.084 4.615 30 10 IJEE N#Cc1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(I)cc3)nc12 2081397773 SBDIVBRMIFRJET-UHFFFAOYSA-N 448.573 4.545 30 10 IJEE C=C([C@H](NCC)c1ccc(Br)cc1I)C(F)(F)F 2086150005 VNXYLGFVJNLCGE-NSHDSACASA-N 434.037 4.823 30 10 IJEE C[C@@]1(C(F)(F)F)CSC(=NCc2scc(Br)c2Br)N1 2105106664 YSNGUTQRLRVUKE-VIFPVBQESA-N 438.132 4.787 30 10 IJEE CC1(C)C[C@@](Oc2cc(Br)ccc2C#N)(C(=O)O)[C@@H]1OCc1ccccc1 2156353783 DMUGRDDFYWVYBH-NQIIRXRSSA-N 430.298 4.538 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174568117 MQCCOXFENPAUOO-KXBFYZLASA-N 436.394 4.836 30 10 IJEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1c1cc(Br)cc(F)c1C#N 2174809038 VKAIAAKJAJPQLX-ISTRZQFTSA-N 438.341 4.542 30 10 IJEE Brc1ccc(N=C2NC3(CCCC3)CS2)c(I)c1 2223679196 MKPOZKKYAWCDST-UHFFFAOYSA-N 437.144 4.690 30 10 IJEE CC1(C)OB(c2ccc(Oc3cc(F)c(Br)cc3Cl)nc2)OC1(C)C 2232315921 KWHNBOFEWFJRIJ-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255526615 WWMHSCLGCQLJBC-GOSISDBHSA-N 425.353 4.812 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)sc1B1OC(C)(C)C(C)(C)O1 2255675625 DOLYSWDQRCLSSN-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2262199827 LOYVETBYJFIAJI-LOSJGSFVSA-N 447.572 4.704 30 10 IJEE Cc1ccc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2268633437 SJHPEFZHOLTHKD-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE C[C@H]1[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC(C)(C)CN1Cc1ccccc1 2283020008 QTCGPDBBAWIOCP-YADARESESA-N 449.448 4.669 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](N)(C#Cc3ccc(Br)cc3)C[C@H]21 2296231099 ZWYMBXAEVUJHRW-JUXOCIIHSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2ccc(Br)cc2)CCC12CCC2 2296268727 IGQCZPBXGNXYSO-PKOBYXMFSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2296271270 CQOOGZADMWVPPV-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2296294380 TUDWFXFDYHILNU-RTBURBONSA-N 433.390 4.711 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@H](N)C#Cc2ccc(Br)cc2)CC1 2296305604 WCGABWBYQQYCCD-GOSISDBHSA-N 439.369 4.505 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OC)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2296760871 KVSORDVLKMXYEE-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)cc1 2320934227 QCSJTGFBCYWUQU-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE O=C1C(=Cc2ccccc2)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 2322224472 LNDKCXGELRUQNW-HFCJMSRESA-N 429.516 4.538 30 10 IJEE COc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1cc(C)ccc1C 2323538948 YLLIUOYENHJFIJ-UHFFFAOYSA-N 434.521 4.913 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)N[C@@H](C)c1ccccc1 2323807824 FLGFOTXNEJTIGI-IBGZPJMESA-N 445.515 4.856 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1OC 2324023698 GLVILYQZTALZHE-UHFFFAOYSA-N 443.499 4.978 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1nccs1 2324178632 LSFSVWZYPFLKEP-UHFFFAOYSA-N 446.887 4.858 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCC(N4CCCCC4)CC3)C2=O)cc1 2324210054 QASAUJZNQWJWPT-UHFFFAOYSA-N 432.564 4.767 30 10 IJEE CCc1ccc(C=Nn2c(COc3c(C)ccc(C)c3C)nnc2SCCCO)cc1 2327300610 XHFOSJKNQKFXOF-UHFFFAOYSA-N 438.597 4.701 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1 2328198551 LHFOZPDJZSZVQN-UHFFFAOYSA-N 431.562 4.617 30 10 IJEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1cccnc1 2329310080 QLHBIGXTQMPVCV-UHFFFAOYSA-N 429.549 4.873 30 10 IJEE OCCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)cc1Cl 2329687001 LAJPOKYBPGEONI-UHFFFAOYSA-N 441.409 4.788 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2330367164 ANSLQDAGVNLPAO-LJQANCHMSA-N 438.955 4.638 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(F)c(F)c1 2330647904 JGTKXTXHWRLUAU-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2330854557 HWBJOZIWXMPPMJ-UHFFFAOYSA-N 448.036 4.943 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(O)c2)c1 2331018590 SHSACPVOGWTNPE-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2331165746 XWAYQXKPIIFVPM-MHZLTWQESA-N 432.564 4.764 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)c1 2331385903 SBJXFRGUANJVSE-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C2CCC2)cc1 2331485664 PSVZPSWQDRIRMS-UHFFFAOYSA-N 437.544 4.860 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339575024 QMTGCFFLMQHBIF-SFHVURJKSA-N 443.397 4.926 30 10 IJEE Cc1csc(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)c1Br 2364754112 RPYITAWPIUCDGI-UHFFFAOYSA-N 433.180 4.602 30 10 IJEE COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(C#CC(C)(C)CO)s2)cc1 2727589 YBLLQEQPTQRKAP-LJQANCHMSA-N 432.636 4.571 30 10 IJEE CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C#N)c1C 13950456 CXKJQQRYYOUKGT-JTQLQIEISA-N 427.309 4.818 30 10 IJEE Cc1cccc(N/C(=N/C(=O)c2ccccc2)N2CCN(Cc3ccccc3F)CC2)c1 15729154 CFNMRTJYFMSBCO-UHFFFAOYSA-N 430.527 4.560 30 10 IJEE COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/c2cc(C)ccc2C)N(C)C1=O 17084463 WZHOZDHZZNPKHM-QAYQYMSWSA-N 431.945 4.556 30 10 IJEE COc1ccccc1N/C(=N\C(=O)c1ccc(C(C)(C)C)cc1)NCc1c(C)nn(C)c1C 32972324 ODCRWUVMTHGJDJ-UHFFFAOYSA-N 447.583 4.741 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1)c1ccc(Br)cc1 34934685 OQHXNVPIANMISI-KRWDZBQOSA-N 444.306 4.882 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 38592619 NEBMRSIZIMPARD-YKSBVNFPSA-N 445.515 4.699 30 10 IJEE CCOc1ccc(/N=N/c2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)c([N+](=O)[O-])c1 39871229 DVZIEKCHGLJWOO-OCEACIFDSA-N 447.451 4.699 30 10 IJEE COc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1COc1ccc(NC(C)=O)cc1 59120111 SOUWLBQJKFADPN-AFUMVMLFSA-N 429.480 4.555 30 10 IJEE CN(C(=O)OC(C)(C)C)C1CCN(c2nc3ccccc3n2Cc2ccccc2C#N)CC1 95074735 WLBJJPGSCIGNBA-UHFFFAOYSA-N 445.567 4.792 30 10 IJEE CSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)s1 102592409 QDEZFSRFVPQGJB-RIBQPWQFSA-N 443.937 4.540 30 10 IJEE COc1cc(/C=N\Nc2nc(C)c(C)c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1Cl 169895959 GAFUJXVITAOESD-VROXFSQNSA-N 447.322 4.727 30 10 IJEE CCCOc1cc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)ccc1OC 169943481 JTSVAWYCBUBDHQ-UCQKPKSFSA-N 425.510 4.840 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(O)cc2)c1 169962493 JVYSPUHZFKXILF-HSZRJFAPSA-N 429.472 4.806 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccs1 169983479 MMLRXFGFPKYDMW-OAQYLSRUSA-N 449.484 4.577 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC(C)C)c1 170035254 QKNWPJYBMFEBPQ-HSZRJFAPSA-N 449.503 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170058286 VJKJTISFGTZIER-UTKZUKDTSA-N 437.879 4.844 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(OC)c1 170117416 IPWHWGPICSQKJZ-QFIPXVFZSA-N 437.536 4.526 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)c1 170141220 SYTWUSQLUVHIBT-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(C)c2)cc1C 170145188 AESGKXKWUWWNKW-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccs2)ccc1Cl 170154913 YOLZRERRWBCUOG-IBGZPJMESA-N 449.956 4.804 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)c(C)c1 170200269 HQRRGZLDQPCYOG-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccc(F)cc3)ccc2O1 170239665 ISAIHBITKVQISW-NPMXOYFQSA-N 429.447 4.932 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)cc1C(C)(C)C 170292836 VXHFFYNUUGHINV-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(C)o1 170298228 KZLFYZMLVJOIKV-IBGZPJMESA-N 427.453 4.576 30 10 IJEE O=S(=O)(c1ccc(-c2csc(NN=C/C=C/c3ccccc3)n2)cc1)N1CCCC1 254288620 AEQOZXDAVAPZRI-NNQNRFHUSA-N 438.578 4.706 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 303028636 WQBJFALSOWWACZ-UHFFFAOYSA-N 432.249 4.806 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 460541953 HLMKYTABCBHIJB-XUZZJYLKSA-N 446.551 4.889 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2)c2ccncc2)nnc1-c1ccco1 497609721 IJMZIKOBLGGMID-UHFFFAOYSA-N 445.548 4.835 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)c(O)c2)c1 526515244 IMJOCAZIVBTGLJ-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 558998246 NOHFDYOZERPRAX-FQEVSTJZSA-N 446.473 4.829 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 568074919 RLHHEXJKCXYNOL-JOCHJYFZSA-N 438.959 4.685 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N(C(=O)c2cccc(OCC)c2)C2CCNCC2)c1 585835397 JCTFKGPNLQATKA-UHFFFAOYSA-N 449.595 4.958 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)c(F)c1 609252842 VLNSZDACWAEAGK-UHFFFAOYSA-N 441.260 4.969 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1 610304407 YUDHBEHFORGJJN-VWLOTQADSA-N 436.515 4.585 30 10 IJEE N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 610377228 BZGVAUXTZQALHI-LJQANCHMSA-N 443.425 4.709 30 10 IJEE C[C@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709340736 FJDLEMYMGPDGMU-CJXDPKRBSA-N 447.498 4.856 30 10 IJEE CC(=NNC(=N)S[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 725406708 XKENEUSJIBRRMX-QFIPXVFZSA-N 442.544 4.667 30 10 IJEE N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)CCN1C1CC1 732647241 AWNMYAIVKFWNKB-DQSGYLJSSA-N 440.572 4.595 30 10 IJEE C=CC(=O)Nc1ccc(C(=O)OCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1 735134644 QUIUNHOWAYYBAJ-UHFFFAOYSA-N 442.471 4.627 30 10 IJEE C=CCCCN(C)C(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2)ccc1Cl 736516849 HAPDULDXYQUALK-UHFFFAOYSA-N 432.973 4.760 30 10 IJEE C#CCN(C(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 774036824 FZXUSNKHABIGHB-HXUWFJFHSA-N 442.606 4.615 30 10 IJEE Cc1cc2oc(=O)cc(COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2cc1C(C)C 780175138 AAECXOYWGYUORJ-DEOSSOPVSA-N 427.497 4.530 30 10 IJEE COc1ccccc1[C@H]1[C@@H](C(=O)N2CCC(C)(C#N)CC2)CCC(=O)N1c1ccc(C)cc1 780780621 XBDIJEXNRLKCQT-DHLKQENFSA-N 445.563 4.640 30 10 IJEE COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2c(Br)cnn2C)CC3)cc1 782324925 IPZMGVOQOLVNEA-XFXZXTDPSA-N 430.327 4.527 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)CCCN1C(=O)OC(C)(C)C 790508752 SRPFFHMEXSCYFL-BPYKYCOYSA-N 428.573 4.616 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(C)c(-c3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 1124987394 ABXYBGBGVKCFIB-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)c1 1125907227 QQDPHGLBHJZWQL-UHFFFAOYSA-N 448.519 4.787 30 10 IJEE Cc1cc(-c2cc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)c3c(C)noc3n2)c(C)s1 1126685269 CFCLLFHJNKHFLH-UHFFFAOYSA-N 434.525 4.952 30 10 IJEE C=CCC[C@@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1ccccc1 1127383706 GJKIWSHNHZAFSW-QGZVFWFLSA-N 432.318 4.617 30 10 IJEE CN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(C(=O)NC(C)(C)C)cc1 1129952673 GWEILBJPLAQPNA-UHFFFAOYSA-N 441.531 4.942 30 10 IJEE C#C[C@H](NC(=O)c1c(O)cnc2c(Br)cccc12)c1ccc(Cl)cc1F 1157507883 KJRFEFBNMROHLB-HNNXBMFYSA-N 433.664 4.600 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c12 1171921063 QYKSGXOMSQYDGY-SJORKVTESA-N 429.586 4.753 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1OC 1179177958 MCVNAPPUFKFPBC-FCHUYYIVSA-N 438.568 4.753 30 10 IJEE C=CCn1c(SC[C@@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1ccc(C)cc1 1189025741 XBDRBCLJBRETRO-QHCPKHFHSA-N 434.609 4.823 30 10 IJEE N#Cc1ccc(Br)c(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 1189901239 CVMYOOHKCDJBOE-FQEVSTJZSA-N 445.313 4.806 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 1197283352 ARWJRXINOMVPJR-CRAIPNDOSA-N 427.998 4.627 30 10 IJEE C=CCN(C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)[C@H](C)COC 1209835436 VZJKKMDFJMGULS-OAHLLOKOSA-N 446.345 4.756 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1229371916 NGSYVGFYPVECKN-SNRMKQJTSA-N 445.560 4.526 30 10 IJEE C[C@@](Cc1cccc(Br)c1)(NC(=O)NCC1(CC#N)CC1)c1ccccc1 1248024793 BLXWFKZXXHGROM-NRFANRHFSA-N 426.358 4.900 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](CC)c2ccc(Br)cc2)ccc1OC 1265124838 BFQYWNAJMZKHPV-OALUTQOASA-N 445.357 4.949 30 10 IJEE CC[C@@H](C#N)N(C)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1277463776 BSUILUDNMNRSRF-ZDUSSCGKSA-N 444.379 4.773 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286318866 BWIRQXGSKVEGBT-RHSMWYFYSA-N 426.870 4.558 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1snnc1C 1286565957 IHRPLSFAOQPIAU-CQSZACIVSA-N 428.631 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286569261 KAXFPSUPFAWNAR-OYRHEFFESA-N 439.648 4.798 30 10 IJEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1286632391 IFNCBKRLJMHGHX-VQIMIIECSA-N 441.790 4.938 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCCOC)CC1 1286639974 AZNDIGKNASVRBG-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286692957 KKVJEWWCVUGWPN-VWLOTQADSA-N 439.604 4.755 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC2(CC2)C1 1286708424 TVZPUALXDRFZRM-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1286731030 XCNBWOHZMUMTHD-HEKZAOSPSA-N 438.616 4.718 30 10 IJEE C=CCSc1ccccc1C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 1287279230 GOCJFCMXKACPST-UHFFFAOYSA-N 438.368 4.731 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H]1CCCCO1 1292603206 GUCQVWFHKMRPIY-BWKNWUBXSA-N 437.588 4.509 30 10 IJEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CCCC1 1300549845 AXRFWLVCOHCQBF-UHFFFAOYSA-N 449.551 4.705 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1cnn(CC(C)C)c1C 1300644016 QANWVBHDBFGNRP-UHFFFAOYSA-N 436.629 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@H]1C(C)C 1300786424 GLLKTKPUWVRZJU-DZNWXHPMSA-N 440.563 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(=O)C1CCC1 1300789739 WZFMRPXRPFFBGL-HHHXNRCGSA-N 447.627 4.541 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C 1300895712 BBUWGCGXLRCELY-WMLDXEAASA-N 437.382 4.549 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)c2ncc(C)s2)CC1 1301086318 HRCAPCPKOHTSKD-HNNXBMFYSA-N 429.540 4.872 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCN(C(C)C)C(C)C)CC1 1301095055 AFYZBNHRGFJSPZ-UHFFFAOYSA-N 425.621 4.695 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCN2CC)CC1 1301095706 MPPGXAPCHUSZCJ-QFIPXVFZSA-N 437.632 4.795 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1301119684 SFJFMNKYPCYATP-NHCUHLMSSA-N 432.616 4.587 30 10 IJEE C=CC[C@@H](Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1301164901 CATSJWRLCIVJPY-NQIIRXRSSA-N 447.549 4.663 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(=C)CC1)C(C)C 1301366522 DGXPVLFFHBNWKI-JOCHJYFZSA-N 449.599 4.529 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cc(C)on1 1301601014 LUOJQDZQEDYGET-HNNXBMFYSA-N 443.642 4.983 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc2ccccc2c1 1312069786 BTTDAAGYRSZOJG-HSZRJFAPSA-N 444.535 4.777 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 1312087783 HYNSNURDNAGARX-QGZVFWFLSA-N 444.373 4.956 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21 1353352963 GKYAYKZRXLYGST-JSGCOSHPSA-N 444.354 4.908 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)c1cccs1 1358876870 SBGYOZVQJWWDBV-KRWDZBQOSA-N 430.581 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cscc1C 1358878842 FMUBJUOMFATSPG-HNNXBMFYSA-N 429.387 4.892 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1csc(CC)n1 1358938458 BDTSXPKXQBCYKE-MRXNPFEDSA-N 444.004 4.825 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(C)c1 1358972353 BWIDFPAEEIOBKT-HXUWFJFHSA-N 428.605 4.755 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCC(F)(F)C1 1358982687 GWSVXEUVPZIZOE-SFHVURJKSA-N 446.929 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1359091770 RNTVEWXPDHLRGZ-VKUXKFIQSA-N 426.605 4.936 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC(F)(F)CO1 1359107180 FHHMZKXIUOEWII-RBUKOAKNSA-N 434.531 4.862 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN(C)[C@@H](C)CC)CC1 1359160368 SHNLOKJNKRXGFQ-OALUTQOASA-N 432.012 4.958 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359199896 LLWLQUVBDBFTOV-DFQSSKMNSA-N 430.980 4.682 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC(F)(F)C1 1359235383 XNJNFAMUZPQIRU-LBPRGKRZSA-N 429.284 4.904 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@H]1C 1359257633 QDIXLJBUWZJNOH-AGILITTLSA-N 449.599 4.789 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCOC[C@@H]1C 1359277424 LWSREAXNWWONJK-PZJWPPBQSA-N 438.547 4.509 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCCc2cccc(Br)c2)cc1OC 1360366519 VPTZKBZHKKJAED-ZRDIBKRKSA-N 430.342 4.785 30 10 IJEE Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(CCC#N)CCC(C)C)no1 1361071378 HSVPHNILMUOYSL-UHFFFAOYSA-N 430.915 4.849 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Oc2cccc3c(CC(=O)OC)cccc23)cc1OC 1436254657 AGHFBNFOMVWEFK-OWBHPGMISA-N 432.472 4.748 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)Cc1ccc(OC)cc1 1442106117 PELYBEWSKKNYNP-QHCPKHFHSA-N 436.552 4.531 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](CC)Oc4c(Cl)cccc43)n[nH]2)c1C 1447629208 MGLGBDWUUXLAEI-HNNXBMFYSA-N 425.920 4.547 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1449317218 LDLXRVGYVGKPHB-QRWLVFNGSA-N 436.955 4.943 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1ccnc(-c2ccc(OC)cc2)n1 1458238443 CMXDOALZAWWCDH-UHFFFAOYSA-N 431.521 4.660 30 10 IJEE C=C(C)CN1CCC(NCc2cn(-c3ccc(Br)cc3)nc2C(C)C)CC1 1461158207 FYXIDDLCMUEMFO-UHFFFAOYSA-N 431.422 4.888 30 10 IJEE CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 1461489179 DLKXXYITTDHOTO-LJQANCHMSA-N 449.576 4.826 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(/C=C\c4ccccc4)cs3)n[nH]2)c1C 1465081868 SUURPUXSCJZXNP-KHPPLWFESA-N 430.537 4.955 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 1465385850 HHBDBTVIDFXIEP-QFIPXVFZSA-N 441.409 4.922 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCCc2cc(Cl)cc(Br)c2)cc1 1475621791 CCVBFWKCRZMQHT-UHFFFAOYSA-N 428.779 4.742 30 10 IJEE CCOC(=O)c1c(NC(=O)N(C2CC2)[C@H](C)c2ccccc2Cl)c(C#N)cn1CC 1476760224 AMAWRJRAYOQWBN-CQSZACIVSA-N 428.920 4.967 30 10 IJEE C=C(C)CN1CCC(NC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 1477802538 OMRUGVLMBGJMGZ-DEOSSOPVSA-N 442.003 4.938 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1)c1ccc(Cl)cc1F 1478900800 OGJRMFZIQVGYEU-SFTDATJTSA-N 426.875 4.692 30 10 IJEE Cc1nc(C)c(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)s1 1492654736 AOOKJLNNIBULEC-MRXNPFEDSA-N 432.553 4.923 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(Cl)s1 1504094911 DUCVYROICUYFMF-GFCCVEGCSA-N 436.368 4.966 30 10 IJEE CS[C@@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)CC#N 1505162927 AZMNCCGWJFWOHY-NEPJUHHUSA-N 442.814 4.851 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507542571 LQTBVJXHMHJICO-HFMPRLQTSA-N 438.616 4.773 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCC(F)(F)C1 1507545846 MPCQKMCWOWWWIT-MSOLQXFVSA-N 432.515 4.539 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H]1N(C)CCCC1(C)C 1507771395 DCSSEHFEVHAHCN-WNCULLNHSA-N 449.643 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1Cc1c(C)sc(C)c1Br 1507772320 OFLHUDRFKWQTDO-OXQOHEQNSA-N 449.418 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N(C)C)nc1 1507812997 RKZKLVPGCFIYTC-OAQYLSRUSA-N 448.615 4.947 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(Cc3ccccc3)CC2)CC1 1507894868 OQWAADGMIDAHIY-UHFFFAOYSA-N 435.616 4.622 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1507924035 HQWRLQFEBMXZLK-JOCHJYFZSA-N 439.604 4.688 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1507930125 ZCRCCWGYCYUWNT-IBGZPJMESA-N 425.577 4.507 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1507936056 XEIJIUCZCBBVKB-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CC12CCC(CC1)C2 1508015098 JVGFMPOZCZDCIB-UHFFFAOYSA-N 430.394 4.805 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CCn1cc(C)cn1 1508028686 VMBODCCMGAIRSL-UHFFFAOYSA-N 436.947 4.632 30 10 IJEE CC(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)CC1 1509055147 IDJBDYKRKFAEPM-UHFFFAOYSA-N 434.632 4.811 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2ccc(CC#N)cc2)C1 1525632086 GTPZSZNHLGZNKE-HXUWFJFHSA-N 426.358 4.531 30 10 IJEE C#CCCCCCC(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 1527264424 KSYSBAJXLHHRGO-UHFFFAOYSA-N 434.355 4.804 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)OCC 1538478684 IFWICSCPOGWHCH-IBGZPJMESA-N 436.961 4.759 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCN1CC 1538987240 RUCJMMVGAQOKDZ-XLIONFOSSA-N 437.588 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(SC)CCC1 1538992387 QIVOVKHAPQGSGL-ZDUSSCGKSA-N 437.382 4.590 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1539052607 QLHWJPHPXVKLAG-UXHICEINSA-N 443.389 4.659 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1539600350 MLZMYDNPXCTFJS-UHFFFAOYSA-N 446.151 4.816 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539817334 ORGFNYPWQNAYPN-HSZRJFAPSA-N 432.996 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCCCC2)CC1 1539878288 YUWANHGOJRSBCC-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CC=CCC1 1539907008 VVZNBYKEMQGPRJ-IBGZPJMESA-N 442.629 4.743 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1540133092 BKLULTGUWMBUBZ-UHFFFAOYSA-N 445.583 4.774 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1cccc(C(=O)NC)c1 1540143504 YZMCXONSBFTOES-UHFFFAOYSA-N 435.597 4.598 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCC=CO1 1540191575 NUCPVXRBTPMIHV-IBGZPJMESA-N 428.602 4.607 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCC[C@H]2CC)C1 1540886851 KJVVGUAZZCBXKK-FGZHOGPDSA-N 444.023 4.644 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nn(-c2ccccc2F)cc1Br 1556214564 SXEQFCHCYDCUHA-UHFFFAOYSA-N 444.304 4.924 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 1561654004 CTUUOGCLAWUZDJ-ZFWWWQNUSA-N 439.762 4.589 30 10 IJEE CSc1ccc([C@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)N(C)C)cc1 1562831279 FJKCVIOHQRHCRD-FQEVSTJZSA-N 426.586 4.882 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(Br)o1 1562929198 KSYNKMKYWZOYCZ-UHFFFAOYSA-N 430.096 4.691 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 1565810514 LRCTZQXKRJKFKW-WBVHZDCISA-N 434.968 4.830 30 10 IJEE C=C1CCC(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)CC1 1584065483 ZPVFMUUADUJXDZ-UHFFFAOYSA-N 428.374 4.990 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2O)c1 1585089914 HSLYELSXWREJOO-UHFFFAOYSA-N 433.817 4.898 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nc(C)cs1 1588272003 SMWBHMDPZQQQAI-UHFFFAOYSA-N 434.594 4.650 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1589006303 DDIZFAPASSABRU-MRXNPFEDSA-N 434.487 4.836 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(CC)C1CCCCC1 1589117053 TXLINYNSEXTAAH-UHFFFAOYSA-N 426.630 4.999 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCc1cccs1 1589503869 FLIZJOMGNRIOPM-SIKLNZKXSA-N 438.597 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCOC 1589506449 WKIPIWVZNAEUTH-BEFAXECRSA-N 439.387 4.706 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1593878301 HAARJNMMMDMJAX-WOJBJXKFSA-N 434.943 4.597 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1594013200 CSBBCVZQSKDTCW-MHECFPHRSA-N 428.552 4.655 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CCC(C)C)CC1 1594202405 OTFDXTYOIYAGGM-AREMUKBSSA-N 448.615 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1594511266 NBSADIPYRMWQHK-NRFANRHFSA-N 429.653 4.602 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C(C)C)c1ccccc1 1594544338 IQWCRYIEEJANAB-IRLDBZIGSA-N 433.556 4.597 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1594591454 WVHYWNGSZSXKLY-UHFFFAOYSA-N 447.583 4.910 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](CC)C1 1594788740 RYXPYTGDNXFFSD-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC[C@H]1C)C1CC1 1595034210 XYWRWUHJAZWXND-NVXWUHKLSA-N 431.378 4.535 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 1595475410 BQYHRRVNSJMWSR-WBVHZDCISA-N 433.936 4.570 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1602986608 IDWAYSNWQMVGEM-LJQANCHMSA-N 440.473 4.904 30 10 IJEE CC[C@H]1c2ccsc2CCN1C(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1614569355 BHANZKVGFZWBRC-HNNXBMFYSA-N 443.981 4.699 30 10 IJEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccc(Cl)s2)CCC1 1619646112 FUXAXZHFMSVPNR-UHFFFAOYSA-N 441.988 4.985 30 10 IJEE CCCc1c(NC(=O)N[C@@H]2C[C@H]2c2ccc(OCC)cc2)cnn1-c1cccc(C#N)c1 1623857188 BDSDDYPZVUSNSI-FCHUYYIVSA-N 429.524 4.773 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 1624638981 GPFCLWKIEJMDHK-VQIMIIECSA-N 430.595 4.590 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc1 1625390502 UOHAZQXFFYCPFL-HXUWFJFHSA-N 436.552 4.839 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCOc2c(OC)cccc21 1625539093 QKZRTGDSOYGRFZ-HNNXBMFYSA-N 433.302 4.668 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(OCCCOc3ccccc3)c(Cl)c2)C1 1627755377 OFSMVFVZWOFZLA-HXUWFJFHSA-N 430.932 4.997 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)(C)C)nc1C2 1629838046 QMJCBNHMFAGIKB-HQRMLTQVSA-N 442.604 4.612 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1630441470 AXHYNRYFNLERHM-HTAITHJFSA-N 449.532 4.843 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2cc(F)ccc2F)CC1 1630817498 BPNBDLWCMUADKM-UHFFFAOYSA-N 435.499 4.950 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1635550890 WQMASUQQTDTFDC-INIZCTEOSA-N 432.908 4.588 30 10 IJEE CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1638052719 WSLDRZWYJJJWJT-INIZCTEOSA-N 435.339 4.906 30 10 IJEE C#CCN1CCC(C(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)CC1 1638240731 GAZZZHDZAGPPQW-QFIPXVFZSA-N 443.513 4.643 30 10 IJEE C=C1CC(C)(C(=O)N2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1647916225 RGNUJDPKVTXPPQ-UHFFFAOYSA-N 426.557 4.534 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(C=Cc4ccccc4O3)CC2)c1 1654366288 CAYYYZGEGLSKAR-JOCHJYFZSA-N 429.564 4.879 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CC[C@@H](O)CC(C)(C)C3)c2C#N)C1 1654457780 BDTYXYQSILOSPD-DLBZAZTESA-N 431.646 4.582 30 10 IJEE N#Cc1ccccc1N1CCC(NCc2cc(OC(F)F)ccc2Br)CC1 1658394047 FSTHQIRBTNTLBJ-UHFFFAOYSA-N 436.300 4.681 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C1CCOCC1 1659200120 OCCDJFWAWJVAFB-KRWDZBQOSA-N 437.393 4.582 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 1660396070 HCCPIWCJLBRNRU-MAUKXSAKSA-N 439.762 4.563 30 10 IJEE C=CCN(C(=O)N1CCC(Cc2ccccc2)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1661408264 RXEDRNQCYGMMPO-VWLOTQADSA-N 434.580 4.724 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)c1 1662513623 JJQKIVMHQRKUSO-RPWUZVMVSA-N 444.641 4.895 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@H]4CC[C@]43CNC(=O)OC(C)(C)C)cc2n1 1664854975 WUFGJFIQSPXFNB-UUOWRZLLSA-N 439.560 4.524 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 1668113299 BKDQGSHROLNZQP-UHFFFAOYSA-N 441.959 4.506 30 10 IJEE Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)ccc1Br 1668874888 BREAVIMNGDRGGK-QGZVFWFLSA-N 439.762 4.808 30 10 IJEE CCc1ccccc1Oc1ccc(CN(C)S(=O)(=O)c2cncc(C#N)c2)c(Cl)c1 1671227189 BJXXAWWTJXDDLL-UHFFFAOYSA-N 441.940 4.782 30 10 IJEE CN(Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 1679391487 BUQLZCADKSMXML-VWLOTQADSA-N 428.536 4.660 30 10 IJEE Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1682634761 FYEGMLDLPFDZDZ-UHFFFAOYSA-N 443.595 4.915 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 1683288800 DXZUICHKSBIOFF-QPPBQGQZSA-N 427.539 4.931 30 10 IJEE C#C[C@H](NC(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(Br)cc1 1683508267 PACPKQKYIQZCJL-HJNYFJLDSA-N 441.369 4.933 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1Cc1c(C)coc1C 1690091106 JHFHHRACANYKGK-UHFFFAOYSA-N 434.540 4.967 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCCC1 1690193639 OKUIFKFVCLVMEG-FDDCHVKYSA-N 426.536 4.509 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(F)F)C1 1690222327 RQAXIEGBCOZKHV-INIZCTEOSA-N 425.321 4.898 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@@H]2CCOC2)CC1 1690402543 GQYUYCCMQBHSGF-MRXNPFEDSA-N 449.368 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCCO[C@H](C)C1 1690420230 KVZPJUFVBCVTDF-MRXNPFEDSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690462818 POBZZUYNJYJJLG-DHIUTWEWSA-N 442.579 4.965 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C 1690468309 YCYKZSNCMVJQJP-FQEVSTJZSA-N 438.551 4.600 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1690483676 UQEVZQSYYXHUSV-OXQOHEQNSA-N 434.943 4.509 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1690515046 DCIWPGFURGWLLY-FPOVZHCZSA-N 441.620 4.945 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690563348 OJLQNPMXZTUUTR-FGZHOGPDSA-N 430.600 4.653 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C)C2(CCC2)C1)C(C)C 1690580731 DYTOTFCWOWCIKV-GGAORHGYSA-N 436.648 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nnc(C)s1 1690600709 ASKCIAFDYJTGJH-UHFFFAOYSA-N 433.006 4.610 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC[C@@H](SC)C1 1690631294 ZXEHKOUUMJVFIJ-CQSZACIVSA-N 425.371 4.755 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)C1 1690689647 JACWUUQMVBUVCU-FCEUIQTBSA-N 445.007 4.831 30 10 IJEE Cc1ccc(CN(Cc2ccco2)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)s1 1693085510 CGFBRWFUNWCLIH-UHFFFAOYSA-N 447.564 4.757 30 10 IJEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1698491415 AQNKVKGPPNMFLM-RBUKOAKNSA-N 432.494 4.688 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1csc(CC)n1 1705484420 OOSYYEDCDBXJPQ-ZDUSSCGKSA-N 434.396 4.971 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1[C@@H]1C[C@H]1CCC 1705602437 VMYXLUJSXOWKJM-VQIMIIECSA-N 431.367 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H](c1c(F)cccc1F)N(C)C 1705712338 QHQUSBXGRXFEIQ-LJQANCHMSA-N 429.515 4.830 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705749374 VEPWUKNDEFSZHI-QGZVFWFLSA-N 434.327 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 1705790544 YXFRJXDFQJIQAU-UHFFFAOYSA-N 440.592 4.778 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@@H](C)O[C@]3(CCCOC3)C2)nnc1C(C)(C)C)c1ccccc1 1705798397 RBWYIKWUWPNOCU-RQNQAMLKSA-N 438.616 4.710 30 10 IJEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1705889251 CLURDIPUADCOTB-QGZVFWFLSA-N 433.585 4.842 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(C)CCCO2)c1C 1706978251 BCSDERCHZZRHOJ-DCEDVJGZSA-N 437.588 4.734 30 10 IJEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCSC(C)C)s1 1707489896 HAATWFOPSFWGFA-UHFFFAOYSA-N 441.626 4.877 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1Br)C1CCC1 1711026209 GXWAUBYHUDOJQD-UHFFFAOYSA-N 428.359 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1oc(CCC)nc1C 1722279416 SKMDWZBUQYBZLO-NVXWUHKLSA-N 441.963 4.827 30 10 IJEE C#CCCCCn1c(N2CCO[C@H](c3ccc(Br)cc3)C2)nnc1C(C)(C)C 1722322580 LKHIUHZGJJSSPS-IBGZPJMESA-N 445.405 4.720 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC1CC1)C1CCCCC1 1722455382 RILVKRSJCJKJSC-UHFFFAOYSA-N 439.585 4.769 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1722483768 CSYLAHQWJBWSMJ-GDBMZVCRSA-N 439.423 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nccs1 1722511778 LUZRNSHRTFWRBD-UHFFFAOYSA-N 436.354 4.754 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722512329 AMCXMIBFPCPOCP-UHFFFAOYSA-N 438.885 4.802 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCC(C)(C)C2)CC1 1722583428 RDECXUFTEGBSFM-UHFFFAOYSA-N 443.586 4.672 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1722618598 LEGLNCHKGXJOFU-HXUWFJFHSA-N 431.625 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CCC(C)(C)O 1722664163 RUPPTNQNBSBPES-UHFFFAOYSA-N 432.540 4.562 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722687949 WZBBMMXPHJBCJO-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)CCCC1 1722688432 CBXDSAODYTVZTO-KDURUIRLSA-N 429.609 4.808 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2ccc(Cl)nc2C1 1740583851 BBVBXUGLJDJUPG-UHFFFAOYSA-N 430.314 4.762 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC[C@@H]1C 1740680952 UACNPLIVYOGRFJ-GBESFXJTSA-N 426.630 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1Cc1cc(Br)cs1 1740729147 BKMAQFXDOWKJJG-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H](C)N(CC)CC 1740770649 ANOHRTCMLKLGQH-QGZVFWFLSA-N 434.426 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H](C1CCCCC1)N(C)C 1740774802 BBDOQZAPCSYPFY-QHCPKHFHSA-N 427.612 4.921 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1740781616 QPVCHOOSZAMVPB-ZCNNSNEGSA-N 431.625 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCC(C)(C)C2)CC1 1740819299 LHEOHJDAYIZMAO-UHFFFAOYSA-N 445.558 4.825 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CC=CCO2)CC1 1740841811 BITQPUVMELHSMI-SFHVURJKSA-N 449.382 4.911 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(F)(F)F)cc1C 1740855304 GHEMEOVLPFSSTB-IBGZPJMESA-N 449.521 4.787 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1csc(C)n1 1740939301 UQXBERBMLZJQIG-UHFFFAOYSA-N 439.629 4.889 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(COC)CC1 1740997073 MFAJPBVNPILBIH-QGZVFWFLSA-N 446.686 4.913 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1741005778 QYYMLHKXLYMRCW-QFIPXVFZSA-N 442.629 4.517 30 10 IJEE Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)cs1 1742595868 ANWCQEODIIBNIK-YJBOKZPZSA-N 438.601 4.638 30 10 IJEE C[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1743105683 AZZYFKVZCCTFSK-CYBMUJFWSA-N 432.475 4.523 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1746229807 GSDAFDQQTPJBPZ-NRFANRHFSA-N 446.580 4.801 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC[C@@H](F)C1 1748679623 GNCLIOISFJGPOR-CMKODMSKSA-N 432.971 4.848 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 1748709574 ZMGOTYXIUAZOFW-UHFFFAOYSA-N 431.309 4.880 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1749022607 LBTZZCIKRVPPIY-FQEVSTJZSA-N 437.613 4.531 30 10 IJEE C=C(Br)Cn1c(CC)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1749103859 FMMNMGSMSPSMBY-UHFFFAOYSA-N 442.361 4.533 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1749343346 ZXBKWHPJXBRPDK-UHFFFAOYSA-N 439.648 4.648 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749417346 CKPWZGSLJQWYSS-QGZVFWFLSA-N 447.986 4.692 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)c1ccsc1 1749473417 HMGUUPQLCGFDPH-FQEVSTJZSA-N 447.402 4.607 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C)c(C)s1)C1CC1 1749508761 ZAWJEJYOPWHTCM-OAHLLOKOSA-N 427.549 4.834 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1749525036 FKBNIJWEWITNKK-SZPZYZBQSA-N 435.660 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)C(C)C 1749563774 OINXSMUCVGCHRU-AWEZNQCLSA-N 425.396 4.619 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CCCS2)cc1C 1751561866 AXSCADUUCXUJEM-DEOSSOPVSA-N 439.629 4.890 30 10 IJEE CCC(C)(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C#N)C1 1752492310 GNQMEWTWQSSNIG-AWEZNQCLSA-N 429.977 4.978 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1760148657 HXFNXSXYCPGCJE-FQEVSTJZSA-N 435.597 4.824 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1760162702 DXCMLJPKNFOEQK-HKUYNNGSSA-N 430.980 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(Cl)s1 1760198154 YTYIBNKQMOHLSS-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)Cc1ccco1 1760275575 ATLWPTIYCVLFRJ-UHFFFAOYSA-N 443.532 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC[C@H](O)C1 1760288376 AOBKLAMXEUNYAM-IMIIHFCZSA-N 436.600 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760325778 SNPHYBIQXDLVHX-GIWBLDEGSA-N 430.637 4.776 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760390454 GZBDWEHLLCDPIU-OYRHEFFESA-N 439.623 4.921 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OCC)CC1 1760423165 SCFRAVISIRXRHA-UHFFFAOYSA-N 439.604 4.877 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(N(C)C)nc1)C1CC1 1760471654 CTDSTEOTJQZWQW-UHFFFAOYSA-N 443.382 4.916 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]2CCC[C@H]21)C(C)C 1760487851 FVXZFOZDBGOQFU-QPTUXGOLSA-N 434.632 4.808 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760532590 ZERNKNSFGCCZKG-VQTJNVASSA-N 434.588 4.522 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(Cc1c(F)cccc1F)C1CC1 1760564579 BWGXYFIDKIBMBI-HXUWFJFHSA-N 434.556 4.886 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(C)(F)F)c1 1761711115 CSHJJAVCFFDFOZ-JOCHJYFZSA-N 435.494 4.776 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccsc1 1768850839 CGWNCSCJAQDJHI-QHCPKHFHSA-N 449.605 4.526 30 10 IJEE CCCOc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1C 1860865249 ALGUYRPZOYGBJZ-UHFFFAOYSA-N 441.531 4.767 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CC2)cc1 1862408116 DZEVRYOAVBWVTG-HSZRJFAPSA-N 434.536 4.591 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCOc2ccccc2)c1 1862413036 UBPXASQXBFWMKT-HSZRJFAPSA-N 449.453 4.931 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862414214 VABSYWFQKJZPHH-IBGZPJMESA-N 429.419 4.944 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1 1862431639 LNHRACCYWKWLBG-QFIPXVFZSA-N 449.890 4.838 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(Cl)cccc1Cl 1862499159 ZPFQFXILQFTIFR-LJQANCHMSA-N 434.319 4.835 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(F)cc1F 1862561876 YYOOHAIUNMBCOV-FPTDNZKUSA-N 434.442 4.887 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)cc2)cc1OC 1862569180 HCEXZYNVLZVNAS-FQEVSTJZSA-N 429.900 4.592 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862593987 NVEHHDIMJMEOSV-QRQCRPRQSA-N 444.443 4.640 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(F)c1 1862617800 YQDARGBARLZGLD-JOCHJYFZSA-N 438.543 4.653 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(F)c1 1862627801 QEXUPRCVNNRRKC-KEQGGVEFSA-N 437.467 4.711 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(N(C)C)cc1 1862640293 NGXIWJOQIDLONT-QFIPXVFZSA-N 440.515 4.669 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862674254 UOOKCVQVGJKLNJ-JOCHJYFZSA-N 445.425 4.620 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(F)cccc1Cl 1862719267 JULVJNIIAZADDU-ZSEKCTLFSA-N 439.870 4.591 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccccc2Cl)C1=O 1863778214 DVPZESNCOBRYKR-UHFFFAOYSA-N 442.991 4.657 30 10 IJEE CCOc1cc(F)ccc1C(=O)Nc1c(Br)cc(C#N)cc1Br 1866117792 NLBBADXYSVJZCE-UHFFFAOYSA-N 442.082 4.873 30 10 IJEE CC(C)(C)c1ccc(-c2ccc(OCC(=O)NCC(=O)Nc3ccc(C#N)cc3)cc2)cc1 1868153004 DXRYNYKCDLIYDR-UHFFFAOYSA-N 441.531 4.656 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCC(C)CC1 1870330937 SVLHKGQYRBVMMU-UHFFFAOYSA-N 434.621 4.773 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)cn1CC=C 1870662004 JSPKAIDRQPCGTM-NRFANRHFSA-N 449.595 4.739 30 10 IJEE C=CCOc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870812337 BXTFUTLBHKRRMY-UHFFFAOYSA-N 433.552 4.931 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2cc(C)ccc2C)cc1=O 1870813795 CVERBAINTHCMHG-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871251200 SFRNXWWGFGRYBH-UHFFFAOYSA-N 427.508 4.587 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O 1871348814 AMCPDAOUXMTDFI-HAHDFKILSA-N 436.552 4.504 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871374470 LZRPILRZTCZMEZ-UUYOSTAYSA-N 434.444 4.678 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871415006 QTMNPFNNJYBWCG-UCQKPKSFSA-N 433.416 4.677 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(OC)cc4)cc(C)c3C2=O)cc1 1871457045 MBEMNMOAPJCYTE-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CC 1872114684 NEFMMIWEDYJNOQ-INIZCTEOSA-N 440.915 4.694 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)CC)S(=O)(=O)CC 1872124506 AKZRDTHFNLUUHR-MLGOLLRUSA-N 440.915 4.550 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCCC 1872174147 LXSMGAWFTFBDML-QFIPXVFZSA-N 438.634 4.981 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(F)cc1 1872251908 AUORXDBEOMEMJI-JOCHJYFZSA-N 432.561 4.898 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 1872776721 WARIHIKIZRLROF-HNNXBMFYSA-N 448.306 4.862 30 10 IJEE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(C)cs3)cc2C1=O 1872789382 HRXVZTMJEWLFQU-FQEVSTJZSA-N 443.528 4.867 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(CCCOCC)C1=O 1873063065 HCALZCILIRNYBW-UHFFFAOYSA-N 440.506 4.561 30 10 IJEE CCCCCCCCN1CC(=O)C(c2nc(-c3ccccc3)c(C(=O)OCC)s2)=C1N 1873528701 GHWWHRSGYPMQQR-UHFFFAOYSA-N 441.597 4.859 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(OC)c(OC)c1 1874300707 ZBBNAQWTVZZHMO-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccncc2)c1 1874344645 YDTMNIGSCAYMOD-WGOQTCKBSA-N 433.512 4.608 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(SCCCO)nnc2-c2ccccc2Cl)cc1 1874368282 SUMCXQOCPOGCBV-LFVJCYFKSA-N 444.004 4.801 30 10 IJEE OCCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874372418 YBMHADYLTOKNOU-YDZHTSKRSA-N 440.516 4.500 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2cccs2)c1C 1874458526 SPVWPJFSVKJOCU-LSFURLLWSA-N 439.488 4.588 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1[N+](=O)[O-] 1875118630 GTHIXOXREMWHGY-ACCUITESSA-N 447.443 4.656 30 10 IJEE CN(c1ccnc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 1890867186 XKZLMHZRLCHODD-UHFFFAOYSA-N 449.370 4.999 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 1903084182 RGRBDUAFJPBXMA-AUUYWEPGSA-N 433.471 4.634 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC1CC1 1984690934 RSWFMKINEKZEFU-RUZDIDTESA-N 445.563 4.702 30 10 IJEE N#Cc1cc(Br)cc(N2CCC23CCN(C(=O)OCc2ccccc2)CC3)c1 2054428833 RANSXQHULCAXNI-UHFFFAOYSA-N 440.341 4.702 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078854384 FXOULYPOFYSSFW-AOJNWGRGSA-N 446.632 4.524 30 10 IJEE C#CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(Cl)c(Br)cc1N 2084775939 PGYNLBIQTWEFNF-SFHVURJKSA-N 431.758 4.618 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H](CNc2cc(Br)c(C#N)cc2F)C1 2105980150 XVTPEKWKKQSJEH-ZDUSSCGKSA-N 426.330 4.909 30 10 IJEE Cc1nsc(C(=O)Nc2ccc(Br)cc2C#N)c1NC(=O)OC(C)(C)C 2124688074 MKRSLCCBEOJFQU-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cnc1C#N 2174709826 KFUQJDDFGOOFNQ-MRXNPFEDSA-N 437.382 4.720 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 2174807648 FDCLSMVSBBKSRP-CQSZACIVSA-N 444.320 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(c3cccc(Br)c3C#N)C2)C1 2174812712 NXJWUSVHUJWGLP-NRFANRHFSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(C#N)cc2Br)CCCC1(C)C 2181105736 NYCGIKBESOJMAV-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE Cc1cc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)ncc1B1OC(C)(C)C(C)(C)O1 2190480141 ZALPJISHSBDEEG-GRSYGWAWSA-N 448.416 4.509 30 10 IJEE N#C[C@H](C(=O)c1ccc(Br)cc1I)c1cccc(F)c1 2207272355 OGBKYQMPXKKJRX-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2235748055 WDXPZPZDMIMJCS-MOPGFXCFSA-N 433.390 4.711 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1ccccc1Cl 2245957944 KPRQOWASHIPPSQ-HTAPYJJXSA-N 427.928 4.759 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2251406945 KBXCGZDWMKJEKX-OZXSUGGESA-N 426.601 4.612 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2261829248 OXTDZJGIKWXIAJ-NBGIEHNGSA-N 447.572 4.704 30 10 IJEE CC1(C)OB(c2cccc(Nc3cc(Cl)c(Br)cc3F)n2)OC1(C)C 2266762508 SPPXQVXPMVCWPU-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2ccc(Br)cc2)cs1 2278785737 ZDGSAJIZGMYCAA-WBMJQRKESA-N 437.359 4.576 30 10 IJEE O=C1NC(=Nc2ccccc2)SC1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1 2294259189 QYXZDKYLVNSTIW-UHFFFAOYSA-N 430.485 4.855 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)C#Cc3ccc(Br)cc3)CCC[C@H]12 2296221947 NPILNHLZXZRVJA-PGRDOPGGSA-N 432.358 4.940 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2296271273 CQOOGZADMWVPPV-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC(F)(F)CNC(=O)OC(C)(C)C 2296273855 QWMGWXMXDWHIKF-KRWDZBQOSA-N 445.348 4.719 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296284197 OFECWAXEXFMBAP-UEUGHCDMSA-N 436.390 4.883 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2296288162 CSFNXYOADRLABQ-AZUAARDMSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@@H](O)C#Cc3ccc(Br)cc3)c21 2296289286 PZNXPYJSAKWJME-IBGZPJMESA-N 428.326 4.832 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 2296297002 USILXPOZDHJDDU-MISYRCLQSA-N 433.390 4.638 30 10 IJEE N#Cc1nc(C=Cc2ccccc2)oc1N1CCN(C(=O)Cc2cccc3ccccc23)CC1 2296746699 MOAPEWKZSPHTOX-UHFFFAOYSA-N 448.526 4.761 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccccc2F)cc1 2297063402 IAUQXWDJDFJBGH-IBGZPJMESA-N 438.480 4.696 30 10 IJEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 2313602148 SRRMPDYETZDRAA-UHFFFAOYSA-N 444.923 4.829 30 10 IJEE CC1(C)C[C@@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@H]1OCc1ccccc1 2317245318 RAZFUXKFZMQVAA-WOJBJXKFSA-N 442.796 4.830 30 10 IJEE Clc1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc3c(c2)OCCO3)cc1 2320880346 PPJGQZVUNKMNPI-UHFFFAOYSA-N 426.929 4.755 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN(Cc1ccccc1)CO2 2321981722 VTIVDLYLLGIOFY-UHFFFAOYSA-N 428.444 4.872 30 10 IJEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(CCCCN2CCCC2)CO1 2322118920 BXGQPBUJIMHHIT-UHFFFAOYSA-N 430.548 4.887 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccccc2OCc2ccccc2)cnn1-c1ccccc1 2323230343 MTBXKJGPHWIRSC-UHFFFAOYSA-N 430.895 4.911 30 10 IJEE COc1c(Cl)cc(C=Nn2c(Cc3ccccc3)nnc2SC)c(OC)c1Cl 2323582595 INYZHUUINVNTPW-UHFFFAOYSA-N 437.352 4.797 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])Nc1ccccc1F 2324190846 XVQQFSBSXRIHCL-UHFFFAOYSA-N 438.386 4.787 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)c1 2325743943 XZZIOFWLMOALLM-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(OC)c1 2326539882 BLRZPDIQXUFHMD-UHFFFAOYSA-N 428.945 4.988 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2cccc(OCC(C)C)c2)c1 2326752340 KMBYBOUNHINLQM-UHFFFAOYSA-N 438.553 4.582 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)cc1 2328486046 SJDILWMPMPRHJO-UHFFFAOYSA-N 445.504 4.657 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(O)c(OC)c1 2328559643 CLPXOCLSZXYFTD-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)C=Cc3ccccc3)C2)c1 2329232990 OZWAKVZSDMRTTD-DEOSSOPVSA-N 431.580 4.958 30 10 IJEE OCCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329859209 GRQPYILXYGONOS-UHFFFAOYSA-N 439.343 4.672 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccnc1 2330084365 QJBUHZWRFFOESF-QGZVFWFLSA-N 444.520 4.908 30 10 IJEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)ccc1O 2330961580 QTMUOSJLSDKXCM-FQEVSTJZSA-N 438.553 4.635 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)cc([N+](=O)[O-])c1OC(C)=O 2331005023 BMXPTKNDVFQFFZ-UHFFFAOYSA-N 434.242 4.577 30 10 IJEE CCc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(F)(F)F)cc1 2331125881 BCGRVNHLALOZKR-UHFFFAOYSA-N 435.431 4.942 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)[C@@H]1CCCO1 2331752267 LIRUEQQRGAEKTC-FQEVSTJZSA-N 430.884 4.646 30 10 IJEE COc1ccc(CC[C@]2(C=O)CCCCN2C(=O)OC(C)(C)C)c(Br)c1 2339386759 QDEJGQZYCDSZOW-FQEVSTJZSA-N 426.351 4.749 30 10 IJEE CC[C@H](CN(CC)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339542992 KJOQLZHHWYAABB-LJQANCHMSA-N 445.413 4.856 30 10 IJEE Cc1cc(N(C)[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)ncc1B1OC(C)(C)C(C)(C)O1 2357064614 ZALPJISHSBDEEG-KHUIQGCPSA-N 448.416 4.509 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCOc2ccccc2)nc2c(C)cccc12 12240512 BFFZYMVZCRUTPP-UHFFFAOYSA-N 425.492 4.707 30 10 IJEE C=CCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1ccc(F)cc1 36032048 VREBTHVCDKTDKW-UHFFFAOYSA-N 442.512 4.707 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)S/C(=C/c2cc(OC)cc(OC)c2)C1=O 36258136 JVEXQLUHIYGDFL-XDHOZWIPSA-N 425.506 4.556 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 41501998 UNAWBDOAUIGRGO-XKZIYDEJSA-N 445.427 4.885 30 10 IJEE O=C1CCCC2=C1[C@H](c1ccc(O)cc1)n1ncc(C(=O)Nc3ccc(Cl)cc3)c1N2 64874136 GVAPGXYDMJSVHW-NRFANRHFSA-N 434.883 4.516 30 10 IJEE COc1cccc(N/C(=N\C(=O)c2cccc(C)c2)NCCc2c[nH]c3ccccc23)c1 66437735 AEXNCULZSOIFPL-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE COc1ccc(/C=C/C(=O)/N=C2\N=C3C=CC(Cl)=CN3Cc3ccccc32)cc1OC 104040249 SPTVYGXYUUPJLJ-ARQDXTDBSA-N 433.895 4.555 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 169961410 PTMQUGFBTLOTTR-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccs2)c1 169988903 MONFWHRXHNIMIN-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC)c1 170112219 RCORXOZUDQDCFN-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2)cc1 170114456 AEUJNDWUHPPKBI-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)cc1Cl 170199240 QBZZLCGAHHXMQX-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265872 XQSCREUZYJAASY-CTNGQTDRSA-N 425.912 4.660 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)c1 170297202 HXFGKNBSWDMBKC-XDHUDOTRSA-N 443.499 4.998 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(N3CCCC3)cc2)c1 170342599 SMPYEIJQZDYNOP-DEOSSOPVSA-N 439.515 4.773 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(C)c2)c1 170344242 UOFDMPVUHIRLAP-OAQYLSRUSA-N 431.444 4.548 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 303839063 IRJDBZBSNSCQAD-IRXDYDNUSA-N 427.344 4.875 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)nnc1-c1ccco1 482491199 QEAKXGFLSGFZDJ-IIBYNOLFSA-N 440.544 4.955 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 508867326 PMDDIUJJVCFEDU-SFTDATJTSA-N 440.588 4.572 30 10 IJEE CCCN(C(=O)[C@@H](C)n1cnc(C#N)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 539503903 CWIHTXNXVBZUHL-LLVKDONJSA-N 435.340 4.584 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 559003816 GFZCVGBLOHICCM-ZTCOLXNVSA-N 448.542 4.816 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3ncccc3C)C2)c1 585879327 JFAXICRVWRHDHF-OAQYLSRUSA-N 435.572 4.654 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3cccc(OCC)c3)C2)c1 586040356 OHXZXFROXYFXCB-HSZRJFAPSA-N 449.595 4.958 30 10 IJEE C=CCN(C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)c1nc(C(=O)OCC)cs1 609969249 YBBGPEUDVWANNF-ZDUSSCGKSA-N 426.460 4.736 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 693764468 UROMCIDABMPNTE-QZTZHPFYSA-N 433.593 4.951 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C2 721767805 HJYCMUQSLISXRD-ZOCZFRKYSA-N 434.541 4.606 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ncc(-c2ccccc2Br)o1 803520371 RRSWRDVOWPROCU-GOSISDBHSA-N 437.337 4.788 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1 849481019 KIJFZVWKYUWVEY-QHCPKHFHSA-N 427.976 4.558 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cnc3c(F)cccc3c2)c(C(=O)OCC)c1C 1124756578 IYBOVYUUYMDTNE-UHFFFAOYSA-N 442.468 4.516 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(Br)cccc2cn1 1125554291 YTXGUZPAHIVFAW-UHFFFAOYSA-N 431.293 4.746 30 10 IJEE COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccccc1 1126820781 DESUWHANJZCVKD-HOYKHHGWSA-N 428.488 4.939 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)c2C#N)[C@H](C)C1 1129334050 GDLVDMSTUMKSSD-JKSUJKDBSA-N 434.565 4.661 30 10 IJEE C#C[C@H](CC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 1129610440 LIOJNTJVUXEKPE-NZCCEVMUSA-N 426.516 4.880 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)[C@@]23CCCC[C@@H]2C3)nnc1-c1ccc(Cl)cc1 1132374417 TZGHOCYQAQNNCG-JLDZCNIISA-N 431.005 4.962 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1OC 1138221310 GBNZCGMJWFYPKG-SQUITACLSA-N 436.335 4.820 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 1138264062 IRGUPNVVJJWVKX-JCGIZDLHSA-N 443.371 4.664 30 10 IJEE C=CC1(CC(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)CN(C(=O)OC(C)(C)C)C1 1146798697 CJLVLELWCYKEQT-HXUWFJFHSA-N 441.616 4.579 30 10 IJEE Cn1ccnc1[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(F)cc1F 1180160718 IDYNNNOOQPEQHU-QHCPKHFHSA-N 443.457 4.833 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H]1CCCN(Cc2ccccc2)C1=O 1190753826 WRWSOBWTXPYOGF-NRFANRHFSA-N 431.349 4.767 30 10 IJEE C#CCN(C(=O)NC[C@]1(C)CC1(Cl)Cl)[C@@H]1CCOc2ccc(Br)cc21 1251195615 SDOFXKZMJIXNLK-PBHICJAKSA-N 446.172 4.501 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2c[nH]c3cc(C)ccc23)c(C(=O)OCC)c1C 1264357090 CZJFEHQGYWBHLB-UHFFFAOYSA-N 440.521 4.547 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)nnc1-c1ccco1 1277016857 KDQDFAATJAUVAW-MSOLQXFVSA-N 428.602 4.881 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCCC1 1286279087 SGTUVCQKNLBECL-ROUUACIJSA-N 430.980 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCO[C@H]1CCCC[C@H]1C 1286436451 IWDFSIBQWGBRSS-XLIONFOSSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1286564579 NRAOZBXITCDAFM-GHTZIAJQSA-N 434.506 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC12CCOCC2 1286568212 QVNIJOKGVFSPDJ-RBUKOAKNSA-N 428.552 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nccc(C(F)F)n1 1286569752 XXVPJPUEHFYXBY-UHFFFAOYSA-N 436.869 4.916 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CCc1ccc(OC)c(OC)c1Cl 1286571202 JFEQDLJHBWIHKR-UHFFFAOYSA-N 443.979 4.599 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1286644034 FOLGWLZFVDDEDJ-UHFFFAOYSA-N 445.489 4.567 30 10 IJEE C=CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1286695031 MNKIGCQQOPFDHW-YSIASYRMSA-N 448.995 4.505 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc2n1 1289215347 JMYRDFQDHXDYAQ-AREMUKBSSA-N 440.547 4.698 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCC=CO1 1289274947 DTFXRQYOKMBXEL-QKYXUNIQSA-N 443.979 4.977 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 1290445994 WMLXLYWIANQAPZ-GOEBONIOSA-N 436.503 4.858 30 10 IJEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccccc1C 1300830726 JUTGPKJQOZQQJT-IEBWSBKVSA-N 449.393 4.561 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccccc2C)C1 1300831911 ATRIXSYBLINFAE-IBGZPJMESA-N 443.345 4.641 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1300881793 RDCGSMLCSFSBBQ-IERDGZPVSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1300886042 VEXQWXNRUWGNCR-UNMCSNQZSA-N 439.560 4.504 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)cc2OCCOCC)CC1 1301079611 IGNGARJEQVUEKY-UHFFFAOYSA-N 447.583 4.577 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1301165036 CSBCOVHLQYLUGO-GJZUVCINSA-N 426.568 4.754 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301229575 UJIGOQIQYOIZRY-JOCHJYFZSA-N 437.632 4.551 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1C[C@@H]1CCCc2cccnc21 1301355282 UKEFLZZGKQZHJI-NRFANRHFSA-N 435.547 4.661 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1301469649 DQJGOAIRWJBHTO-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301600568 CXMZXBKLELCSGS-IBGZPJMESA-N 433.021 4.649 30 10 IJEE CC(C)(CN1CCCC1)Cn1c(CCCc2ccccc2)nnc1N1CCC(CC#N)CC1 1302349824 ICOPZNHHWFFDLI-UHFFFAOYSA-N 448.659 4.705 30 10 IJEE C=CCn1c(SCCNC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CCCCC3 1307241604 WGTJYZPSGSYNMP-UHFFFAOYSA-N 435.615 4.530 30 10 IJEE C=CCCCCCCNS(=O)(=O)c1c(Br)cc(C)cc1Br 1309480935 JQIIUCINBJCPGM-UHFFFAOYSA-N 439.213 4.935 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1)c1ccc(Br)cc1 1310156045 IRSNKLCKTBOFNR-LJQANCHMSA-N 442.357 4.864 30 10 IJEE CCCc1c(NC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)cnn1-c1cccc(C#N)c1 1310576196 HKPJUMNWQKYQTM-NYHFZMIOSA-N 435.553 4.582 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)CC1 1312536883 BTPIVKAVTSKAGU-UHFFFAOYSA-N 438.959 4.886 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C(C)=C\c2c(Cl)cccc2Cl)cc1 1357309885 PAUJMBMNSBTOEL-YPKPFQOOSA-N 439.364 4.842 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN(C)C(C)C 1358872457 UVHJMIGBDSOGRZ-WOJBJXKFSA-N 446.039 4.877 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C)CC1 1358934386 ZLIGIOWQPLYNGJ-KRWDZBQOSA-N 431.378 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](Oc3ccccc3Cl)C2)nnc1C(C)(C)C 1359105192 LBVCGTUCYGEKBF-OPYAIIAOSA-N 445.007 4.868 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359123884 VNPTXOJWUHDZQG-SFTDATJTSA-N 425.621 4.784 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](CC)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1359196090 XFLOQRFWLRIHIS-POGFHVCPSA-N 438.616 4.917 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1359246626 HAEBXWQCQYAZCS-RDJZCZTQSA-N 431.378 4.535 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ccccn1 1359279795 SUSCZWYHSWKHRH-UHFFFAOYSA-N 432.355 4.528 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@@H](CC)C1 1359339347 BMUWLBAXYXUTLS-SFHVURJKSA-N 425.627 4.744 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 1359866948 FNPJFVZHNOIJCZ-UHFFFAOYSA-N 428.444 4.584 30 10 IJEE C#CCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1 1359920430 UYLYFNVIYNCOJV-UHFFFAOYSA-N 429.516 4.949 30 10 IJEE C=CCOc1ccc(OC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 1361117754 KICZPVPYNGCWSE-UHFFFAOYSA-N 428.485 4.573 30 10 IJEE COc1ccc(C(=O)N2CCC[C@H](C(=O)O[C@H](C)c3ccc(C#N)cc3)C2)c2ccccc12 1435360364 AHVNJMICJYHLIC-NQIIRXRSSA-N 442.515 4.877 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)c1cccc(Br)c1 1441083029 JJIXLMGFBQJVNW-OAHLLOKOSA-N 431.758 4.838 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 1447957543 GRKJXORHMIASFF-SFHVURJKSA-N 442.934 4.929 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(C(F)(F)F)cc1 1458169975 BBQVNBOJEWCKOD-GOSISDBHSA-N 445.401 4.632 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 1458824516 NTPAJLJLXXCOAH-UHFFFAOYSA-N 441.277 4.990 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1 1459930938 HPSAAJUNTHTXGK-PBHICJAKSA-N 448.489 4.576 30 10 IJEE CCOc1cc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)ccc1OCC(=O)OC 1460375002 BFVLWDRQADNZGA-KBPBESRZSA-N 442.537 4.508 30 10 IJEE C#CCOc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1 1464839916 ORHTUTHIPYCMJD-UHFFFAOYSA-N 443.478 4.680 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cnn(-c2ccccc2Br)c1 1465938893 SEYHLJYBACPERO-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C[C@](O)(CNC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(F)c1 1466235760 HBFCACFDJNDGLL-WBVHZDCISA-N 438.343 4.655 30 10 IJEE CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1467699019 BAWJFNJLNQQASZ-HXUWFJFHSA-N 432.351 4.560 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1Cc2cccc(Br)c2C[C@@H]1CC 1468849111 WNWCOPAQURFMGA-SFHVURJKSA-N 427.342 4.508 30 10 IJEE C=C(CNC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 1470420047 KAQPCNPWFFWBLB-NRFANRHFSA-N 427.589 4.959 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1)c1ccc(Br)cc1 1476501900 DABXKLVNYYYELJ-HXUWFJFHSA-N 442.357 4.734 30 10 IJEE C#C[C@@H](NC(=O)NCCCO[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1 1477920340 HMXBQLFVTHDHMW-FGZHOGPDSA-N 441.369 4.907 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2c(Br)cncc2Br)CCCC1(C)C 1478682449 BAXIPNKWOMXULC-OAHLLOKOSA-N 445.199 4.883 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCCC(F)(F)C2)cc1 1492319531 CJEDPJHXQWAZRP-RBUKOAKNSA-N 431.531 4.977 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccccc1 1507556069 YIAHAWSKDRGPHQ-UHFFFAOYSA-N 440.389 4.876 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCOc1ccc(F)cc1 1507760888 BAPMFXUTFPGIMW-HSZRJFAPSA-N 439.922 4.594 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1507830364 LPJHIETUMQGUOM-KRWDZBQOSA-N 443.567 4.790 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1507852533 AWTNCOHTDGVISJ-RBUKOAKNSA-N 447.986 4.622 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@@H]1C 1508000544 BXPMGBCUYBIMEY-SYVJQLTCSA-N 438.616 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@H](O)C1 1508012314 VTEFBVTXZFMUSB-HKUYNNGSSA-N 445.405 4.746 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCCC1 1508027684 NCLAGPCSXAELSM-UHFFFAOYSA-N 444.938 4.871 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1Cc1ccc(Cl)s1 1508029083 XUJRFXBDAAKTLM-UHFFFAOYSA-N 427.961 4.875 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](OC)C(C)C)C1 1508118010 QGXRXZZPTHDTQJ-PMACEKPBSA-N 444.645 4.728 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)(C)C)nc1 1513110391 CKLHPLLWBDOYEX-GOSISDBHSA-N 432.572 4.920 30 10 IJEE C#CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CCC2 1519920534 WNZBAMOHUIDKFO-XUTLUUPISA-N 439.559 4.557 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1 1526774980 SRWYYIQKMIWPCG-XMMPIXPASA-N 445.563 4.510 30 10 IJEE C=CCC(F)(F)C(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1529258917 CXLBXPJZPJTMKC-UXHICEINSA-N 436.543 4.963 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)OC(C)(C)C)s1 1529308569 IHFQDJITWTUOLU-SJKOYZFVSA-N 445.050 4.807 30 10 IJEE N#Cc1cc(NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)ccc1OC(F)(F)F 1530344385 FKJPTFWIFVRJKS-UHFFFAOYSA-N 448.351 4.662 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccccc1 1536283690 VZDBASYOHCYSDO-INIZCTEOSA-N 436.249 4.637 30 10 IJEE C=CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccccc1 1537084164 ODJVMWWGWAUBLZ-SFHVURJKSA-N 433.430 4.622 30 10 IJEE Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)sc2ccc(C#N)cc12 1537459531 CXMBROYKECXJCS-PZJWPPBQSA-N 439.968 4.537 30 10 IJEE C[C@@H](NC(=O)c1cc(Br)cnc1N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1538235314 GGZCEZANKVGBJA-OAHLLOKOSA-N 449.352 4.940 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1C(F)(F)C12CCC2 1538993835 SJQPYBYYVQUPPE-XJKSGUPXSA-N 435.316 4.601 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H](F)c1ccc(Br)cc1 1539024512 VQUDHKLRRAVQET-DNVCBOLYSA-N 433.369 4.942 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1539132872 CMBBFGLQPQJIGS-SIKLNZKXSA-N 447.410 4.907 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1539134236 SZTDQSQADGWDDR-HSZRJFAPSA-N 448.567 4.968 30 10 IJEE C=C(Br)Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC 1539579770 CJOVCBFKKNCYRG-UHFFFAOYSA-N 432.135 4.602 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCOC2(CCCC2)C1 1539586097 HUVHJRZZJSCDLA-UHFFFAOYSA-N 437.769 4.657 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1539900063 GMPXBYHNNOFLGA-RXVVDRJESA-N 439.604 4.611 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1539952914 BDOXNUTZAOQATB-UHFFFAOYSA-N 439.535 4.677 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1539971769 ROBMEKYOTYDSPM-IBGZPJMESA-N 445.633 4.780 30 10 IJEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1540040133 MVWZYYXIWXDEMW-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1540139241 AZUDHABAHVBGCE-UHFFFAOYSA-N 433.585 4.663 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCCCC1 1540185971 YKEUPGUKTKHBTD-UHFFFAOYSA-N 448.615 4.741 30 10 IJEE CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1540347914 GHRZPELFYDUWKA-HXUWFJFHSA-N 434.879 4.916 30 10 IJEE Cc1csc([C@@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@H](C)C#N)n1 1542849129 ACBAAVNXLWULCG-CVEARBPZSA-N 433.585 4.515 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 1558020616 SDTXSHGMBUYEIB-SFTDATJTSA-N 438.572 4.607 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1Cl 1559346877 DCEWBYAOEKIPMY-QGZVFWFLSA-N 448.036 4.574 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1 1560110347 JEFTWMBLNPYSOD-TZIWHRDSSA-N 434.609 4.921 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c1ccccc1 1564385853 SZVJHQDWGNPVLK-YADHBBJMSA-N 439.600 4.818 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1566675943 PNKUNOMTHRALQP-VQTJNVASSA-N 439.499 4.657 30 10 IJEE COc1ccc([C@@H](C)OC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(Br)c1 1583261301 IBHCDDJFRIJLIY-JLTOFOAXSA-N 429.314 4.603 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CCCC1(C)C 1586319097 DZSDIXBZOMTYCE-FQEVSTJZSA-N 439.021 4.722 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N(CC)CC 1588289132 YQJDGZRURAPSQT-HXUWFJFHSA-N 443.954 4.873 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H]1CC 1589008523 VUECHHGGKUMWLL-ZIAGYGMSSA-N 439.448 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)[C@@H](C)CC 1589150730 JTWQBUZKJULJCR-XZUXRINTSA-N 445.007 4.861 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1589357556 CRAYBTBYAYYCRL-ZWKOTPCHSA-N 449.393 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)CCc1cccs1 1589530958 ZXXRJPWUNKPCLM-GIVPXCGWSA-N 430.618 4.631 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCCC1(C)C 1589687347 CHRVENVWMZVGEJ-QHCPKHFHSA-N 432.996 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1594473307 QCJJLVSHKCLLEL-IAGOWNOFSA-N 430.618 4.895 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1 1594726559 COGQYOFSPDXIGF-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H]1N(C)CCCC1(C)C 1595149668 RSUFRAFGVDCEDH-OAQYLSRUSA-N 436.629 4.715 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)cc(OC)c1 1595156384 KNCILYZYUPNQAD-GOSISDBHSA-N 442.560 4.622 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC[C@H]1CCO[C@H](C)C1 1595161466 ARBIRKCHZNZXLO-UXHICEINSA-N 437.613 4.723 30 10 IJEE C#C[C@H](NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)c1ccc(F)cc1 1596936545 LTIZSVKWIRIZPV-KRWDZBQOSA-N 431.298 4.941 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCOC(C)C)cc1 1607165666 HOFNNESKXGDWLD-UHFFFAOYSA-N 425.577 4.535 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc(OC(CC)CC)cc2)n1 1611072550 BPSABHIBRQLPQB-UHFFFAOYSA-N 443.598 4.620 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2O[C@H](CC)C(C)=O)S/C1=N/c1cccc(O)c1 1614237020 IMPDAKYQJWXKCS-IAWVFZSWSA-N 436.533 4.929 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCc3ccc(C(C)C)cc3C2)nnc1-c1ccco1 1616840248 JHOPAYIALDQYPB-UHFFFAOYSA-N 436.581 4.915 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)CCC1 1623102405 AOAZRSIAVHXCFY-UHFFFAOYSA-N 429.442 4.703 30 10 IJEE C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1623490732 HSQYNUBQGUZJOW-HNAYVOBHSA-N 434.392 4.883 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 1623835936 ZYUGGYUOMNMJLN-HXUWFJFHSA-N 437.540 4.866 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 1624974319 QKBNZQJBAAKJLP-UHFFFAOYSA-N 448.485 4.652 30 10 IJEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)CC1 1625696246 QADKKJQVMUNVOB-UHFFFAOYSA-N 436.936 4.756 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 1627304042 BFSNIAMIGKPNQZ-QGZVFWFLSA-N 435.883 4.987 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c1 1628033370 ANLKNUWKVGFIPY-PMACEKPBSA-N 449.448 4.927 30 10 IJEE C=CCOc1ccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1OC 1628197295 JDIFEBUGSAWKNF-KRWDZBQOSA-N 430.342 4.727 30 10 IJEE C=CCO[C@H]1CCN(C(=O)NCc2ccc(OCCSc3ccc(Cl)cc3)cc2)C1 1631101661 JIMCQPVYYKWTGG-NRFANRHFSA-N 447.000 4.998 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccncc1 1631878814 VXKLDNJDJDDGAN-RTWAWAEBSA-N 442.604 4.766 30 10 IJEE C=CCCCCNC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1634474613 MUBVFDOORBXOBE-HXUWFJFHSA-N 443.588 4.935 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3)c3ccccc32)c1 1635425482 YCMBVRRGMWJJJR-HSZRJFAPSA-N 429.541 4.666 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1)C(=O)OC 1638394485 AEKIHZFQHZNGOU-HSZRJFAPSA-N 431.536 4.535 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCCN(C)C(=O)OC(C)(C)C 1638814017 HFKULSQQDZNWAT-UHFFFAOYSA-N 441.366 4.990 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCCc1cccc2c1OC(F)(F)O2 1640705742 CXKVWQHIZUGUJA-UHFFFAOYSA-N 449.454 4.839 30 10 IJEE C[C@H](Cc1c(F)cccc1F)NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1642684925 HZTZJZQLRDJMNN-QZTJIDSGSA-N 433.502 4.901 30 10 IJEE C#C[C@H](NCc1csc(=Nc2ccc(OC)cc2)n1[C@@H](C)c1ccccc1)[C@@H]1CCCO1 1642791582 OLOKSNLFQAMSNH-LQGLAIQGSA-N 447.604 4.670 30 10 IJEE C#CCN(CC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1)CC(=O)OC(C)(C)C 1643725617 GWYVKDMTHXJXFF-UHFFFAOYSA-N 442.943 4.656 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)CCNc1nccc(Oc2cccc(C#N)c2)n1 1650811300 DHSHKKOFCLRZPP-UHFFFAOYSA-N 437.887 4.552 30 10 IJEE C=CCn1c(SCc2cc(C)c(C(=O)OC)o2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540625 VZNZVUGWGGMFDO-LBPRGKRZSA-N 444.578 4.749 30 10 IJEE C=CCn1c(SCc2cn(C(C)(C)C)nn2)nc2sc3c(c2c1=O)CCCCC3 1651548799 PYWAWCFVYZKDLT-UHFFFAOYSA-N 429.615 4.552 30 10 IJEE C=CCn1c(SCCOc2ccccc2C(=O)OC(C)(C)C)nnc1-c1cccnc1 1651711150 DVUKSAJAMHLGAX-UHFFFAOYSA-N 438.553 4.653 30 10 IJEE C=CCc1cc(CNc2ccc(N3CCN(CCC)CC3)c(Cl)c2)cc(OC)c1O 1655423793 IYULORUZJRNJTC-UHFFFAOYSA-N 429.992 4.927 30 10 IJEE CC(=O)N(c1nc(Cn2cc(C#N)c3ccsc3c2=O)cs1)c1ccc(C)cc1C 1656808724 MDSGIZQOARQLIA-UHFFFAOYSA-N 434.546 4.741 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](Cc2ccc(Br)cc2)C1 1658740251 YPDFAXXPUDIBGQ-PKOBYXMFSA-N 447.442 4.978 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1 1659142291 GVVVFJXKPYQMGV-QGZVFWFLSA-N 427.342 4.915 30 10 IJEE CCN(CCOc1ccccc1OC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1659592253 DPXSLUZDURQNNA-KRWDZBQOSA-N 441.597 4.625 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)s1 1660935288 AQQKBYKCFLHCTN-UHFFFAOYSA-N 434.587 4.578 30 10 IJEE Cc1cc2c(cc1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)OCO2 1662209175 DBLAPHVWOFNFJB-UHFFFAOYSA-N 440.908 4.644 30 10 IJEE CC(C)[C@@H]1N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC12CCOCC2 1666718507 AMUYFAZZOQSCIR-QHCPKHFHSA-N 437.515 4.945 30 10 IJEE N#CCC[C@@H](NC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1ccccc1 1672158648 GQKVJMUQXGRYOH-XMMPIXPASA-N 438.531 4.985 30 10 IJEE O=C(NC[C@H](CO)c1ccc(F)cc1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1676557631 BWSKXFCYBRHXKK-CJNGLKHVSA-N 438.343 4.523 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1F 1686922150 BPFWZHSSMKCVEN-GOSISDBHSA-N 428.813 4.936 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](OC)[C@H](C)CC 1689863638 XXJJBQZFEBGBTD-DXIQSLLYSA-N 426.605 4.674 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1689904103 KMJYMWXOHQOHDZ-LJQANCHMSA-N 428.552 4.584 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1689940139 ORERAEAGBNZLDK-UZLBHIALSA-N 431.005 4.641 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CC 1690253734 SMAGFCGOTGWCGY-LZNRXBQRSA-N 430.980 4.871 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1690317241 WENORRYQNGVSNA-XLIONFOSSA-N 427.420 4.624 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690369559 PBLMMCHWJOFTTJ-UHFFFAOYSA-N 425.577 4.667 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCC[C@@H](C)C2)CC1 1690398714 FHRIJZYOTLVLPP-WOJBJXKFSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2nccs2)CC1 1690415244 DNCNRBVOPMQWLL-MRXNPFEDSA-N 427.549 4.659 30 10 IJEE C=CC[C@@H](Cn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1C(C)(C)C)c1ccccc1 1690447590 SJPQOVKYJXMREY-GMAHTHKFSA-N 448.615 4.730 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1690462357 DYMRORBWMJOISQ-UWHLTILDSA-N 443.636 4.984 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1Cc1cc(COC(C)(C)C)on1 1690999028 AMXWRMGVQQBOGD-HNNXBMFYSA-N 442.951 4.546 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCCN1CCCC[C@@H]1C 1705502955 LJYQYHFJVHGURI-GOTSBHOMSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CO)CC1 1705510528 RKZMEQUKHGOEQG-UHFFFAOYSA-N 428.989 4.825 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1705601498 LMQOSDCMSVFBHI-DEOSSOPVSA-N 446.595 4.510 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccc(C)cc1 1705606774 FOCASNCPGYNAOD-IBGZPJMESA-N 434.609 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(SC)CC1 1705668116 FCPUZNKIIUXFEZ-IIBYNOLFSA-N 431.005 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Sc1ccccc1 1705676060 KVIAVUIWQFFZMM-UZUQRXQVSA-N 437.638 4.807 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc2ccccc2o1 1705722886 MXVIZZKXQSOFHW-UHFFFAOYSA-N 426.318 4.994 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@H]2c2ccc(OC)c(OC)c2)nnc1C(C)(C)C 1705740660 RUPVTTHCIPYBOE-IBGZPJMESA-N 428.577 4.527 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)C(C)C)CC1 1705785112 VXWGUAJLHAJBES-SANMLTNESA-N 440.632 4.964 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(C)(C)OC[C@@H]1C 1705824977 FYJOJRMDCJLHIN-FPOVZHCZSA-N 442.604 4.631 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(CC)s2)C1 1705927818 HDGYAXIREWZZPP-IOMROCGXSA-N 444.645 4.650 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)C1CC1 1706079226 GVQQOKCEWUEAST-TWHAJKEOSA-N 435.616 4.986 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](c2cccnc2)C(C)C)cc1 1707531930 AJHJCOFHLAKZHA-REWPJTCUSA-N 432.572 4.596 30 10 IJEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1708036670 DDAJWKWELPCSMY-ZHRRBRCNSA-N 447.505 4.537 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(OC)CC1 1722311330 FKMYMHLLTGWPKU-QHCPKHFHSA-N 430.980 4.806 30 10 IJEE C#CCCCCn1c(N2CCO[C@@H](c3ccc(Br)cc3)C2)nnc1C(C)(C)C 1722322581 LKHIUHZGJJSSPS-LJQANCHMSA-N 445.405 4.720 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722329974 OPUQIQLMRRQBRE-JOCHJYFZSA-N 449.643 4.848 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(F)c1 1722378322 AAYATMKKFGUROY-UHFFFAOYSA-N 432.568 4.730 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)SC 1722391254 YZUAAOLDQDXIAH-RBUKOAKNSA-N 445.032 4.903 30 10 IJEE C=C(C)CN(CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCc2cccnc21 1722514443 AHQWNQQKVNVMKF-JOCHJYFZSA-N 431.584 4.817 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC1CCCCC1 1722518092 UJIIUZBOWPIZBG-QHCPKHFHSA-N 440.588 4.932 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC[C@H]2OC)CC1 1722560879 FWYASEGFRODYMM-LSDHHAIUSA-N 437.407 4.741 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCN(CC)C2)CC1 1722574293 JPGZTDMTOPWKCR-UYAOXDASSA-N 444.023 4.816 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(=C)CC1 1722603763 MUVUZIDMRIFJPK-UHFFFAOYSA-N 429.609 4.905 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H](SC)C(C)(C)C 1722673470 SVBSMZXUGISAOE-SFTDATJTSA-N 428.646 4.795 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740596050 QYILCAIIESNMDQ-JOCHJYFZSA-N 438.616 4.819 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(CC)CCOCC1 1740645857 TUCWMYRLVYOCJI-UHFFFAOYSA-N 443.016 4.503 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCSC1 1740664666 YOXILMVTDGXOFA-CYBMUJFWSA-N 439.810 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1740724491 DNPHFNCTXCDOBB-DZNWXHPMSA-N 438.547 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CCC1 1740752976 DLOCFIMMMGCITF-XLIONFOSSA-N 445.405 4.986 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(Nc2ccccc2Cl)CC1 1740777826 MJXBQQMQXQCXPR-UHFFFAOYSA-N 445.011 4.507 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)c1ccccc1 1740854128 LKTTYDSQSQOIGP-QDSCMUJJSA-N 438.616 4.924 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740859263 IQXNCMISJKYUKN-GOSISDBHSA-N 443.567 4.886 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@@H]1C 1740891679 GUGJSRFVDWWVCC-OALUTQOASA-N 432.012 4.958 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1csc(CCc2ccccc2)n1 1740897003 QBJDYXGOOHFVGE-UHFFFAOYSA-N 430.581 4.561 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccsc1 1740914069 KSGDUPCRWVNMNK-XMMPIXPASA-N 438.597 4.716 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@H](OC)C(F)(F)F 1740928586 NMFJDZWJUZBKJS-IBGZPJMESA-N 431.462 4.639 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC2(C)C)C1 1740975025 QYTYCHJVVHQQNU-SJLPKXTDSA-N 431.378 4.535 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCC)C1 1740975492 VNBWGXDEITYIAW-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCSC(F)(F)F)C1 1740976008 RQKLMTDPPJWQOK-QGZVFWFLSA-N 426.508 4.542 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1740999615 KSYWGNRJKFPMAL-SFHVURJKSA-N 441.988 4.570 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC#N)CC1 1741301208 COGIKSYHHRIFLK-XMMPIXPASA-N 441.645 4.813 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CCSC 1744872409 FCEGVJNAMJLIBQ-SIKLNZKXSA-N 440.661 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(OC)CCCC1 1748679732 IKFMZHHSEBJGOQ-IBGZPJMESA-N 445.007 4.669 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1748701327 GSOATEWEUNIWDI-WMLDXEAASA-N 426.870 4.558 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1(CCC)CCC1 1748833148 KGXNDBWOWGJXOB-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1749026795 QGFZZMCVLHVOKZ-AWEZNQCLSA-N 447.942 4.836 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCCCN1CCCC1 1749069077 UNKLSSBIAAPKDQ-RUZDIDTESA-N 440.035 4.781 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1ccc(C)cc1 1749120488 DXVMLBAHZGLVBI-NZQKXSOJSA-N 436.556 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](OC)C(C)(C)C 1749171188 RIYDPNQEVDXGGZ-CEXWTWQISA-N 449.640 4.512 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOCC2CCOCC2)CC1 1749288323 ROWPMSBAHCCEAY-UHFFFAOYSA-N 430.980 4.588 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1749304920 ACUIKVNJLCROLJ-HXUWFJFHSA-N 428.024 4.801 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1749335993 WGJLKWZJOPSRII-SJLPKXTDSA-N 430.980 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1749364335 QMRZAWKIAMDVJC-RBUKOAKNSA-N 448.615 4.902 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1NC(=O)CC1(C)C 1749384095 QKYFGUBXBCXNMP-QFIPXVFZSA-N 446.599 4.591 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1749390668 HBYJHJVXILTSMW-XLIONFOSSA-N 428.556 4.687 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 1749430350 RZSCXRPWKPPRFV-PMACEKPBSA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCN(CCC)CC1)C1CC1 1749511117 DQKJPZOEHXCZRW-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)c1ccc(F)cc1 1749579543 SOPJUGVUQHSBDY-UHFFFAOYSA-N 444.558 4.812 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)cc1 1760212849 GWURESWBFBWCKA-SFHVURJKSA-N 432.568 4.782 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC1(C)CCCC1 1760243674 PGPXSXJWYLWFBI-UHFFFAOYSA-N 437.588 4.993 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC(F)(F)F 1760244933 LVBVAGBWTOEMKM-UHFFFAOYSA-N 440.535 4.704 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1760352629 UJFAMORKBSEQGY-JXFKEZNVSA-N 436.959 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1760406655 JCLHEIFLCRIXBY-UHFFFAOYSA-N 429.996 4.620 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1760411204 GKAQIKHNPFEUBI-DEOSSOPVSA-N 429.008 4.985 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1760433056 POKUFMAPJDVXCS-RTWAWAEBSA-N 439.604 4.890 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1760475968 BLRSZAPNKPBNOB-QFIPXVFZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCCOC(F)(F)F 1760483246 KMSFVEANKGLFSB-UHFFFAOYSA-N 437.441 4.542 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1(C)C 1762965858 CNOXIENRAYFVKU-LJQANCHMSA-N 448.615 4.528 30 10 IJEE CC[C@H](C)[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)OC 1763436566 GFKCFLXACDSPEU-XGHQBKJUSA-N 445.995 4.873 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CC(C)C)C1 1764623233 FUBQRAUJZPKIRV-OAQYLSRUSA-N 444.583 4.921 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CC[C@@H](C)C1 1769798124 CQMNYGCMGQVAIW-QIJUGHKUSA-N 439.604 4.519 30 10 IJEE CC(C)Oc1ccc(C(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)cc1 1858908382 JOHFWOXDHUJERO-UHFFFAOYSA-N 429.476 4.886 30 10 IJEE C=CCNC(=O)c1oc2cc(OCC)ccc2c(=O)c1-c1ccc(Br)cc1 1859781340 YEULFMRYRPJSET-UHFFFAOYSA-N 428.282 4.537 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1ccc(=O)n(CCC)c1 1861237863 AXWUAANKIYDKFZ-JOCHJYFZSA-N 433.637 4.804 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(F)cc2)ccc1F 1862501354 AXHBTJSJCSQSFD-HSZRJFAPSA-N 449.453 4.931 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862535958 NSAZHIRFTFHXEE-FYSMJZIKSA-N 443.499 5.000 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1Cl 1862569055 FDZFIPGRUWCQKX-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862594127 ACLDHNZMVCLAQV-QFIPXVFZSA-N 449.890 4.703 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862672520 CMAXUOSEKLNSAL-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862694779 ROOXMHHQEZTYKJ-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccccc2Cl)C1=O 1863321204 RGFHGMFLECSRHE-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE C=CCN(CC=C)c1cc(N(C(=O)[C@@H]2CCCN2)C2CCCCC2)nc(-c2ccccc2)n1 1869195895 PHVFOTMCWVVVQC-QHCPKHFHSA-N 445.611 4.740 30 10 IJEE CCCCCCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCC2(CC1)OCCO2 1870352354 QGRGEQAVRWCLDM-UHFFFAOYSA-N 448.648 4.973 30 10 IJEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN2CCC(O)CC2)cc1=O 1870413141 SSBHMZSDLDHERS-UHFFFAOYSA-N 440.628 4.705 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccc(O)cc3)c(CNc3ccccc3)cc2=O)cc1 1871254580 CTEHVKUDEIRPAS-UHFFFAOYSA-N 437.499 4.665 30 10 IJEE Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc2c1C(=O)/C(=C/c1cccs1)O2 1871379284 PKNGWOOKOLKGFO-NDENLUEZSA-N 430.437 4.998 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2C1=O 1871380791 BNRWHHGDMFILBQ-HMSZGEISSA-N 443.411 4.838 30 10 IJEE CC(C)=C1Oc2cc(OC(=O)c3ccccc3I)cc(C)c2C1=O 1871385647 FVLBVNHCCRDTFO-UHFFFAOYSA-N 434.229 4.688 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4cccc(SC)c4)CC3=O)sc2C)cc1 1872726342 RMJXXZMPTCBPSE-UHFFFAOYSA-N 437.590 4.956 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c([N+](=O)[O-])cc1OC 1872780053 YKQSRYAMKVHBMG-GFCCVEGCSA-N 445.403 4.504 30 10 IJEE COc1cccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1873209954 YUZRWXSEEWBUPX-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421608 HFWDHNGMMVXIBT-UHFFFAOYSA-N 438.531 4.958 30 10 IJEE CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874250615 MLHLDVMYLYGICB-LPYMAVHISA-N 445.932 4.764 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2cc(F)ccc2F)nnc1SCC 1874261521 JYIUNAVSMZMSHH-ZMOGYAJESA-N 430.480 4.694 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2cccc(OC)c2O)CC1 1874286639 RFGFIDJSPQTLCM-LFVJCYFKSA-N 446.617 4.813 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)N(CC)CC)nnc2C2CCCC2)c1 1874451900 UIKQGNGJRGYJJS-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1OC 1874573130 XJIDQVDMCUXGKD-WYMLVPIESA-N 447.487 4.626 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)NC1CCCCC1 1874612712 IPTCSHZQVOJFMR-YRNVUSSQSA-N 429.463 4.697 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl)NC1CCCCC1 1874621323 SAROGMNSKLMHNM-RMKNXTFCSA-N 441.911 4.793 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OCCCO)c(OC)c2)c(C)c1C 1874626555 KUVDDTQZHNFHST-SOFGYWHQSA-N 449.341 4.740 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 1874651876 YGEZCOQWOAHGBY-QWRLVCTISA-N 445.607 4.612 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1 1875112962 OHHCNKUARDKWBO-WUXMJOGZSA-N 448.387 4.627 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Br)cc3F)ccc21 1890517888 ICTYAMZYEQCLOD-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE O=C(Nc1cccc(C(F)(F)F)c1F)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 1891151111 JQHKHDQGGHYYAK-LLVKDONJSA-N 437.315 4.944 30 10 IJEE CN(CC1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1)c1ncccc1C#N 1891340059 ISENCESCAVBIDM-UHFFFAOYSA-N 426.520 4.734 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1F 1926714012 ZCKNNRPPTKBQQY-AEFFLSMTSA-N 427.358 4.854 30 10 IJEE C[C@]1(Nc2ccc(C#N)cc2Br)CCCN(C(=O)OCc2ccccc2)C1 1998959600 YTJSRRGBFAPRPP-NRFANRHFSA-N 428.330 4.924 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Cl)c(Br)c1F 2035952584 BLIWXVLRNJUKQI-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE CN(C)C(=O)COc1ccc(C(=O)C=Cc2csc(-c3ccc(Cl)cc3)n2)cc1 2040454424 SHRMCWQBFUBKGA-UHFFFAOYSA-N 426.925 4.827 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2060625041 FYJOOMBCKDFYRR-UHFFFAOYSA-N 434.317 4.527 30 10 IJEE Fc1cc(Cn2nc(I)cc2C(F)(F)F)cc(C(F)(F)F)c1 2079173430 SAQJHPKCRRGFMK-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE C=CCO[C@H]1[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H](SCC)[C@@H]1OCc1ccccc1 2081158813 LABRSGYDXODRRZ-HIOJCNTLSA-N 442.577 4.735 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2163695412 JUVONVRKIQVUFJ-JOCHJYFZSA-N 428.349 4.952 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3ccc(Cl)c(Br)c3)c2)OC1(C)C 2199711177 KXDRDSIBQFFXPA-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2219967437 HJPPIGPJXNMYQN-UNMCSNQZSA-N 441.446 4.863 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(C)c(C)c1Br 2221904368 JTWBKHZYPWQADW-CYBMUJFWSA-N 431.396 4.603 30 10 IJEE Cc1ccc(C#C[C@@H](N)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223371009 WUMSMUNHGVFUFT-SHQCIBLASA-N 434.580 4.518 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CC[C@H](NC(=O)OC(C)(C)C)C1 2235720586 PSTNEAJYNKKWGD-KPLVRAHFSA-N 435.406 4.862 30 10 IJEE C#CC[C@@H](C)C[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237416611 ZPSDWIAGODNQLW-UXPWSPDFSA-N 437.422 4.913 30 10 IJEE COc1cccc(C#C[C@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1 2237738710 OWLXASHZPSFIRX-IBGZPJMESA-N 432.314 4.890 30 10 IJEE C#CC1(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC(C)(C)C1 2244940616 ABQYHHHTVDBPBK-DEOSSOPVSA-N 444.575 4.858 30 10 IJEE Cc1csc(C(=O)N(Cc2ccccc2)CC2CCC2)c1B1OC(C)(C)C(C)(C)O1 2247832862 WUTHMSGDBZYHKB-UHFFFAOYSA-N 425.403 4.798 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCC[C@]1(C)CNC(=O)OC(C)(C)C 2262199826 LOYVETBYJFIAJI-JWQCQUIFSA-N 447.572 4.704 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)c1C 2268199175 ANJBQYJZSLAVFB-UHFFFAOYSA-N 444.381 4.815 30 10 IJEE CC(C)[C@H]1[C@@H](C(=O)Nc2ccc(Br)cc2C#N)CCN1C(=O)OC(C)(C)C 2279332265 XEQZMQMUWQVNLF-RDJZCZTQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2285828586 JXVRYZMOJWKBSD-SFOLAPGASA-N 434.378 4.990 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](C#Cc2cccc(Br)c2)NC)C1 2296225727 YJGGZAJXAGAKCD-LSTHTHJFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](N)(C#Cc2cccc(Br)c2)C[C@H]1C1CCC1 2296231477 DNTHFGPLGRBDMK-UGKGYDQZSA-N 433.390 4.698 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296265904 CJCQBBWIGBLNNB-OALUTQOASA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CCN(CC1CC1)C(=O)OC(C)(C)C 2296271672 FOPUXBKLDCGIFW-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2296293814 NJWPYFORFBCLAD-BJLQDIEVSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@H](N)C#Cc1ccc(Br)cc1 2296297744 CIBYYNKSEXMRRM-UYAOXDASSA-N 435.406 4.849 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F 2296305999 ATVQUWVYAIDMPC-UZLBHIALSA-N 445.348 4.575 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 2296557196 XVQVRCRYVODVRV-QHCPKHFHSA-N 444.487 4.504 30 10 IJEE COc1ccc(NC(=O)C[C@H]2SC(=NC3CCCCC3)N(C3CCCCC3)C2=O)cc1 2296823030 JKDGIAXNGCBGJK-OAQYLSRUSA-N 443.613 4.989 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C2=O)cc(OC)c1OC 2296867603 ZZZAZTGVGVTRTO-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=NOCC(=O)NCc5ccco5)CC[C@@]43C)[C@@H]1CC[C@H]2O 2297639954 VUKILELVYWEYTE-QBBPNXHKSA-N 440.584 4.592 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2304186788 MFWYNQHBKWHLTP-HOTGVXAUSA-N 434.541 4.606 30 10 IJEE CN(CCCCCNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2317241756 FZPDWXCFBUMPFU-UHFFFAOYSA-N 443.828 4.748 30 10 IJEE CC[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2317353547 HTVCTFWGNUQEFI-SFHVURJKSA-N 432.370 4.751 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(NC(=O)OC(C)(C)C)CCOCC2)cc1 2318698963 HYRZEEMODKYNHY-LJQANCHMSA-N 445.560 4.703 30 10 IJEE Cc1cc(CSC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320591326 XKJIEUVVKDETTF-FQEVSTJZSA-N 447.450 4.927 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC)n1N=Cc1c(Cl)cccc1Cl 2321031476 NKFNKHPGAFTOKD-UHFFFAOYSA-N 442.416 4.770 30 10 IJEE CCc1nnc(SCCCO)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321034542 PIHWYRQKYPAEON-UHFFFAOYSA-N 446.576 4.929 30 10 IJEE CN(C)CCCN1COc2ccc3c(c2C1)OC(=Cc1c(Cl)cccc1Cl)C3=O 2322024203 FDMGQOZMSULSGG-UHFFFAOYSA-N 433.335 4.713 30 10 IJEE C=CCOc1c(C=CC(=O)c2cc(OC)ccc2OC)cc(Br)cc1OC 2322667067 MRGDCRBEQSGDBP-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE Cc1cc(OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2322975111 ZSUUWNZPWPBHRS-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c1C 2323201502 DMMVTFRZMSSKCW-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 2323648591 UYJXREQZBFGFHF-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)c1 2323946271 UCIDSBDVJAYOCY-UHFFFAOYSA-N 436.508 4.935 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)=O)ccc3C2=O)cc1 2325565408 WNCADBLZXZHCGZ-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325675278 JULHCQCOGUYSMC-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325708574 IALQBYQNGXZTRX-UHFFFAOYSA-N 439.851 4.884 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(O)c(Br)c1 2326296152 CEFKESOLXVJODX-UHFFFAOYSA-N 431.359 4.792 30 10 IJEE CCCOc1ccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC)cc1 2326738677 ODLKBJQOKQKFHI-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(OCC)cc1 2328303156 AKYZMKCRUHYWLQ-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(OC)c1 2329622424 IDYKEHFVCQQHGU-UHFFFAOYSA-N 444.944 4.535 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(Cl)cc1 2330690388 NDCNWVWGFOQPOM-UHFFFAOYSA-N 428.945 4.772 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331571169 YGHFLHUNENULJV-NRFANRHFSA-N 428.431 4.682 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(OC)c2)cc1Cl 2331702078 LAHFKOIMKADZLZ-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)c1 2331716749 JDIJIHOVYMBQHC-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE Cc1cc(CNC[C@H]2CCN(Cc3ccccc3)C2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2369700328 GWGLWXGTWNDMTB-XMMPIXPASA-N 448.460 4.685 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccccc2Br)nc2c(C)cccc12 12240576 CLEBIUFVEHBLCJ-UHFFFAOYSA-N 446.308 4.924 30 10 IJEE O=C(O)/C=C1/S/C(=N\C2CCCCC2)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 16957172 UERFZPHZPSBKCV-UBFHDEFQSA-N 431.945 4.596 30 10 IJEE Cc1ccc(-n2c(=O)c3ccccc3n3c(SCc4ccccc4C#N)nnc23)c(C)c1 18957051 GMWICLGLYHOFCZ-UHFFFAOYSA-N 437.528 4.814 30 10 IJEE COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)c(Br)c2)c1 20881741 PVDWQCULFRPSBR-AEFFLSMTSA-N 440.337 4.770 30 10 IJEE CCOc1cc(CN(C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1OC(F)F 26455885 FMPJZQTWXLGGDB-ZDUSSCGKSA-N 449.523 4.568 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2C)Nc2cccc(C)c2C)c1C 32973391 OYDYPOWBNQODIS-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccc(C#N)cc1 32997390 CSOZZYNWCLWJTR-JOCHJYFZSA-N 431.521 4.602 30 10 IJEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 41514597 BYSJEWNIPPTHIX-XKZIYDEJSA-N 430.460 4.857 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 58272709 PZXUQHSJVAVBNR-UHFFFAOYSA-N 446.878 4.640 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc([N+](=O)[O-])cc1 59792302 RONGTUWJXDUAJC-UHFFFAOYSA-N 437.525 4.777 30 10 IJEE COCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)S/C1=N/c1ccccc1 101695456 NPXHYXSLBQMEGF-BRBBDLJVSA-N 426.538 4.733 30 10 IJEE CCN(C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C)[C@@H](C)c1ccc(C#N)cc1 105905409 NBEQNIXEAHXHEZ-AWEZNQCLSA-N 427.430 4.690 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923074 TZBXFNVHZFHAKB-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC(C)C)cc1 169927980 XHMDMNNSOBDPEE-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 169953219 RLAYQWUYEDADJS-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccc(O)cc1 169961161 OYEKFPCEXHLBQB-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 169961532 JWPUQVRFLJGLAF-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2F)cc1C 170071988 FEGNYQMKWONDAZ-QFIPXVFZSA-N 425.500 4.836 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1 170188702 RBHIMQATMHQAAK-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170206669 KPMXXFKYQWVJCG-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1 170229333 WRECYYPYCPNYBF-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccccc1 170232346 STGNFOBCJIVOBF-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)c(OC)c1 170297030 YFCRAEKYCDMLBB-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170363496 OALLDLPLRXPDCP-QFIPXVFZSA-N 448.544 4.996 30 10 IJEE Cc1c(N=Cc2cc([N+](=O)[O-])ccc2N(C)C2CCCCC2)c(=O)n(-c2ccccc2)n1C 254833636 IVDHWBWPVMSZQA-UHFFFAOYSA-N 447.539 4.912 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)c1nc(C(=O)OCC)cs1 409822199 OLHRQYXQQHGZCM-LLVKDONJSA-N 429.325 4.613 30 10 IJEE C=CCN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 409826816 FUAGFOHJSZVVKN-UHFFFAOYSA-N 449.743 4.878 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 461610851 DMNQJPARICAHJG-XLIONFOSSA-N 435.959 4.574 30 10 IJEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4)c(F)c3)CC2)c1 468185751 HPARPDXOJIKVFG-UHFFFAOYSA-N 436.874 4.500 30 10 IJEE N#Cc1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 469766235 BCKHUDYIASAJKJ-KRWDZBQOSA-N 428.332 4.810 30 10 IJEE C=CCn1c(SC[C@@H](O)CC(F)(F)F)nc2sc(-c3ccccc3)cc2c1=O 470030606 IBVFNYJVOGAYPV-ZDUSSCGKSA-N 426.485 4.716 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 502992676 QSEYLFOWGIULMZ-HSZRJFAPSA-N 430.451 4.744 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 508156132 DRBYKFAWXUGMKC-UHFFFAOYSA-N 435.911 4.720 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508463585 HWHSDBORAIESPD-IEBWSBKVSA-N 432.503 4.544 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(c3ccc(O)cc3)CC2)n(Cc2ccccc2)c1C 533358575 BJMSTPQXCRYKMA-UHFFFAOYSA-N 442.563 4.549 30 10 IJEE CCCCN(C(=O)[C@H](C)n1cnc(C#N)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 537301391 FQKXXDYAGTYUBA-LBPRGKRZSA-N 449.367 4.974 30 10 IJEE C=C(C)CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(CC)cc1 586239921 OWKVBAOBYIRRLN-UHFFFAOYSA-N 445.540 4.796 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1Cl 608993266 XXVNCLASBFSNLA-LJQANCHMSA-N 429.307 4.845 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 609453495 AHDKZCHKXLFYKZ-VWLOTQADSA-N 440.503 4.827 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1oc2ccccc2c1C 609690136 OBRYWZNRBZZNQD-UHFFFAOYSA-N 439.471 4.969 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]2C1 698986866 LWLOQMVPGIGZJN-GSHUGGBRSA-N 448.568 4.853 30 10 IJEE COC(=O)c1ccc(N=C2S/C(=C\c3c(OC)ccc4ccccc34)C(=O)N2C)cc1 725380163 WHNHMRAEWSWYMZ-NGZUUMTHSA-N 432.501 4.869 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@@H](Cc3ccncc3)C2)c1=S 782293116 XHULWUYIOGNQFZ-SFHVURJKSA-N 425.989 4.838 30 10 IJEE C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H](c2ccco2)C1 785107122 QFXMZBTUHXQYPD-SXSPYAJSSA-N 427.504 4.873 30 10 IJEE CC(=O)N(c1nc(/C=C2\CCc3cc(C#N)cnc3C2=O)cs1)c1ccc(F)cc1F 788362678 MSTBOGWSSNITPH-VIZOYTHASA-N 436.443 4.585 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 802575230 KVZVKOAXWLRFJC-LJQANCHMSA-N 429.012 4.662 30 10 IJEE COc1cccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)c1 1084359230 WVIAATOWAOWBPY-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE COc1ccc(Br)cc1C=NNc1nc(SCc2cccc(C)c2)n[nH]1 1084610870 ICDYUIBRGCLPDJ-UHFFFAOYSA-N 432.347 4.623 30 10 IJEE COc1ccc(CC/N=C/c2cc(Br)cc(Br)c2O)cc1OC 1088643263 RAAWBKSFKYHEDY-KEBDBYFISA-N 443.135 4.596 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(F)c1F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124682417 HPSDOXXEVUDOAH-UHFFFAOYSA-N 448.516 4.633 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1OC 1127868159 DOKUCJIMHNOJQK-RIYZIHGNSA-N 440.515 4.678 30 10 IJEE C=CCN(C(=O)c1ccc(-c2cccs2)nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1128002987 DYHGHLWLKHGYOC-QFIPXVFZSA-N 434.561 4.921 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1cc(C)ccc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1128003194 JNTWBLKZONRSCX-GHTZIAJQSA-N 429.944 4.605 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12)C(C)C 1144197923 OFNVXKJNUHSIJJ-JOCHJYFZSA-N 436.531 4.766 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(Nc3cccc(C)c3)CC2)CCCN1C(=O)OC(C)(C)C 1147666879 DGHHZVZQEMPOHR-RUZDIDTESA-N 427.589 4.744 30 10 IJEE C=C(C)C(C)(C)C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1157325340 MSOANRNWLZUNSE-UHFFFAOYSA-N 428.573 4.780 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1csc(Cc2ccc(Cl)cc2)n1 1168494137 KTFSYPKEKNDXND-UHFFFAOYSA-N 428.941 4.891 30 10 IJEE C=CCN(C)[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 1193607393 SYZICVMJUOKJEP-IIBYNOLFSA-N 426.582 4.847 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cnc2onc(CC)c2c1)c1ccc(C(F)(F)F)cc1 1211147109 COBPNPLREGWBGV-GOSISDBHSA-N 439.459 4.790 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F 1220089517 KGDNFGZNNSPGNL-HNNXBMFYSA-N 439.261 4.583 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)c1ccc(F)c(F)c1 1223434066 VWFIXMZTYKCRGK-JTHBVZDNSA-N 429.511 4.727 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(CC)cc2)nnc1-c1ccc(Cl)cc1 1265328958 UXRHGRQHXIUOEN-UHFFFAOYSA-N 441.000 4.798 30 10 IJEE N#CCOc1cccc(CC(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)c1 1275145501 DANYJAFJYMUOAE-HHHXNRCGSA-N 445.607 4.815 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1 1275390133 UVXIOGSPTOEDOV-UHFFFAOYSA-N 439.350 4.647 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)c(OC)c1 1280171779 OODAUNXITSFAAJ-QGZVFWFLSA-N 443.927 4.704 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286316230 JJGFJBKATZYAAY-NHCUHLMSSA-N 430.600 4.524 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCSC(CC)(CC)C1 1286318117 LMXRNLSAYYPCLP-UHFFFAOYSA-N 442.629 4.878 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccccc1F 1286337871 XJTWVVISPAZONS-CQSZACIVSA-N 430.325 4.786 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@H](COc2ccccc2)C1 1286542920 FEYDQZLHTTXSSK-IBGZPJMESA-N 445.405 4.825 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)c2nc(C)cs2)CC1 1286651106 SBRXXBPMLJKELO-QXAKKESOSA-N 429.634 4.922 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ncccc2N(C)C)CC1 1286654079 ADFUONVRUMYLPB-QFIPXVFZSA-N 430.600 4.732 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@@H](C)C[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1286680815 FMPKYWMIWKEWPR-KNZHSQOXSA-N 438.616 4.772 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1286708019 MKTTYTXTJZSPEN-BWTSREIZSA-N 431.378 4.535 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CC=CCC1 1286714257 MXZWYRCEFVRORA-IBGZPJMESA-N 429.996 4.572 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@](C)(CC)O1 1286741424 HABVXJRWQDEMOP-UMFSSWHCSA-N 449.599 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCN1CC 1286753065 SRCVXUAHJYKESU-FQEVSTJZSA-N 444.421 4.760 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(SC)CC1 1286765397 FBGSJRARGBELIT-UHFFFAOYSA-N 432.659 4.810 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)o1 1289535231 DQQYGCLRKHDJKM-NRFANRHFSA-N 446.580 4.719 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(O)cc1)c1ccc2c(c1)OCCO2 1293125082 DOQKQJSLOALJKN-UHFFFAOYSA-N 431.488 4.504 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1298925279 YLPJPVSGPJRHLQ-FQEVSTJZSA-N 440.927 4.574 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12 1299310588 XQKGRABCINDYLI-UZLBHIALSA-N 431.552 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCC(C)CC1 1300284613 SUYVRLAYKPXLQI-HXUWFJFHSA-N 439.673 4.855 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnc(C)s1 1300341701 KJZKQXRABXXTLZ-MRXNPFEDSA-N 427.549 4.762 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1300751708 OTCSCQABOCSZKZ-RUZDIDTESA-N 449.624 4.501 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCCC1 1300894484 COITYLHHTLRFNV-DXBBTUNJSA-N 430.637 4.804 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCCCC)CC1 1301135735 PUGOKDIVHXHHFF-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301155163 INQDPMXTLXQMCW-GMAHTHKFSA-N 438.616 4.680 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](CN(C)CCC)C1 1301202994 SZBIYQXQTJBKDN-NRFANRHFSA-N 432.616 4.936 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CC(C)(C)N1CCc2ccccc2C1 1301394527 OZQLYXSIXNPTIE-UHFFFAOYSA-N 447.652 4.946 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2CCC(OC)CC2)C1 1301541906 GFDAGNIZVWCYCY-NKELODKYSA-N 448.970 4.724 30 10 IJEE COc1ccc(CCn2c(C)cc(C(=O)COc3ccc(C#N)c(C)c3)c2C)cc1OC 1307336866 HLCKKBVAEFTTEU-UHFFFAOYSA-N 432.520 4.807 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H]3CCC(C)(C)CN3C(=O)OC(C)(C)C)cc21 1311251715 HCOOURAVGQYJPO-IBGZPJMESA-N 441.576 4.770 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1nc2c(s1)C[C@H](C)CC2)c1ccc(Br)cc1 1312937347 PJIKQXBDJKSXIX-RHSMWYFYSA-N 446.414 4.936 30 10 IJEE COc1ccccc1N=C1SCCN1C(=O)CSc1ccc(Br)cc1 1317706392 GXCFITSQIGOEMX-UHFFFAOYSA-N 437.384 4.813 30 10 IJEE C=CCOc1ccc(CC(=O)N(CCC)Cc2nc(O)c3ccc(Cl)cc3n2)cc1 1348269862 FPUWSYXWXWUBKI-UHFFFAOYSA-N 425.916 4.535 30 10 IJEE C=CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350510176 LEVCPNGVAKWECI-UHFFFAOYSA-N 442.428 4.527 30 10 IJEE CCc1c(C(=O)N(CC(C)C)c2ccc(C#N)cc2)nnn1-c1ccc(OC(C)C)cc1 1354120472 DBZRXYMYTVWOKT-UHFFFAOYSA-N 431.540 4.791 30 10 IJEE N#Cc1cccc(CNC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)c1 1354169593 GZKJBVCPEPKJRF-UHFFFAOYSA-N 447.420 4.755 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccccc2OC(C)(C)C)nnc1-c1ccco1 1354536204 QZDRWOQVKYXELU-UHFFFAOYSA-N 440.569 4.700 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1358873731 NMEDTGPVEGENCF-HSALFYBXSA-N 441.595 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1358878341 VEXKCOPFBFWWDC-FUHIMQAGSA-N 445.405 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1358898535 VVEKTIDZUNHFLT-YZUZCNPQSA-N 438.616 4.773 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1359001885 GMXADCYSSPVZCK-OCCSQVGLSA-N 444.299 4.789 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1359120167 MAJRWAHZMWOZBC-ROUUACIJSA-N 429.996 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359185371 UQCNTGMFRCYZIS-UHFFFAOYSA-N 449.643 4.949 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CC(C)(C)C1 1359926798 CDAPSTBBNWIJGX-UHFFFAOYSA-N 437.588 4.919 30 10 IJEE C#CCN(C(=O)c1sc(CC2CC2)nc1C)[C@H]1CCOc2ccc(Br)cc21 1435174648 HNMRXRDAXKBUJG-KRWDZBQOSA-N 445.382 4.766 30 10 IJEE CC(C)(C)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(O)c(C(C)(C)C)c1 1442917162 FBVUAEXROUZGCB-UHFFFAOYSA-N 437.559 4.960 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)s1 1443540110 PPVHBCGPAMRYTD-HXUWFJFHSA-N 432.549 4.971 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(OC)c2)CCCC1 1443775519 AHMFFXFLCGVSNH-OAQYLSRUSA-N 430.589 4.873 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)cc1 1450611775 ULZNCSCWOXXADB-WMZHIEFXSA-N 444.369 4.529 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1453341633 APNOJTUHSTWMPY-MGPUTAFESA-N 448.972 4.711 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2sc(-c3ccccc3F)nc2C)ccc1OC 1456290604 HPSNZHUXRWOLGT-MRXNPFEDSA-N 439.512 4.877 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1)Cc1cccc(C#N)c1 1459397503 JLABRAZZOPWFQP-UHFFFAOYSA-N 432.549 4.626 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1459564713 VVOVYBSRZMTVGD-LJQANCHMSA-N 449.661 4.620 30 10 IJEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@H]1n1cccn1 1460147914 CVKDEIUDQSDIEZ-MQSCRBSSSA-N 446.576 4.833 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)C(C)(C)CN3CCCC3)c2C#N)C1 1460269346 CXLHJDQZOSEYSN-GOSISDBHSA-N 444.689 4.906 30 10 IJEE CN(C)CCCN(C(=O)CNc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 1464776985 IBZHRPDKKCHGKB-UHFFFAOYSA-N 426.564 4.540 30 10 IJEE CCCN(C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC)[C@@H]1C[C@@H](OCC)C12CCCC2 1466880599 HGCKBAKGWOXFCO-RTBURBONSA-N 444.576 4.538 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F 1469440834 DNEXLMWWUIFXAD-HNNXBMFYSA-N 430.321 4.789 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1476045697 IHGNCMSRYNNNMX-UHFFFAOYSA-N 447.457 4.770 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)cc2)cc1 1476058648 FRWRRFNDEDAUED-JOCHJYFZSA-N 444.466 4.807 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 1477670301 XKLXJFRXWLGDRN-RPWUZVMVSA-N 425.548 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCOC1 1507517628 QVUROCCCJVPWAG-FHWLQOOXSA-N 430.980 4.573 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)CN1CCCC1 1507608940 OEEOPOPVZVJDKE-SFHVURJKSA-N 437.588 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1F 1507760691 FGVHEIUVYVVFOK-OAQYLSRUSA-N 442.336 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(OC)C1CC1 1507814010 IJVRJUBFFKISRA-OAQYLSRUSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1507818390 WTALRUZESHBLBV-JPYJTQIMSA-N 448.970 4.868 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1507824364 ZFTBXXHFXXIJKD-QGZVFWFLSA-N 435.359 4.535 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1507827129 URYLYDUZORCQDT-ROUUACIJSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1507912529 POKVVFSOHGXLGK-IBGZPJMESA-N 436.629 4.887 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnc(C)s1 1507925357 GDPNFKXQBAAOMC-UHFFFAOYSA-N 435.395 4.793 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1Cc1occc1C)C1CC1 1507987865 FGTGOQZTMFFFDA-UHFFFAOYSA-N 443.345 4.821 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(CN3CCCCC3)cc2)C1 1508110175 SFXUEAXHEYMKKQ-XUZZJYLKSA-N 437.632 4.607 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1508152963 VITXUEJSXLMGON-SFTDATJTSA-N 428.646 4.991 30 10 IJEE C=CCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1516157080 VAJYRIWRYKPVIW-DYESRHJHSA-N 433.470 4.998 30 10 IJEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)Cc2cccs2)C1 1516405077 CYLMIEBFJHMNSA-RXVVDRJESA-N 435.597 4.762 30 10 IJEE C=CCCC[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1519989844 RHCQSQIUDKUGHW-YOEHRIQHSA-N 425.367 4.876 30 10 IJEE C#CCO[C@@H](C)C(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1523307907 LGKYROPUZWWWQJ-ORAYPTAESA-N 438.724 4.680 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1523597432 YLQAZHCXPDNWQE-JOCHJYFZSA-N 426.582 4.858 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCSCc2ccccc2C#N)s1 1523685052 ZANHJZNPIYYLAV-UHFFFAOYSA-N 438.043 4.760 30 10 IJEE Cc1cccc(N2CCN(Cc3ccc(NC(=O)[C@@H](CC#N)c4ccccc4)cc3)CC2)c1 1525216249 HTHFEHVGMXUFNG-MHZLTWQESA-N 438.575 4.953 30 10 IJEE C=CCc1ccc(OCC(=O)NCC(C)(C)c2cccc(Br)c2)c(OC)c1 1527573349 CJBQXWFCOURZKG-UHFFFAOYSA-N 432.358 4.659 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1528714868 ZCORRBFKUKVMAU-FGZHOGPDSA-N 426.532 4.738 30 10 IJEE C#CCN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)C1CCCCC1 1529075015 UNJNRHFYDIQIQK-UHFFFAOYSA-N 440.385 4.922 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2sc(CC)cc2C(=O)OC)s1 1529644298 GNBFFHPDZVVFDC-UHFFFAOYSA-N 431.004 4.888 30 10 IJEE C=CCN(C(=O)c1nnn(-c2ccc(F)c(F)c2)c1C)c1nc(-c2ccccc2)cs1 1530619512 QLVBZUDBPQDSQK-UHFFFAOYSA-N 437.475 4.810 30 10 IJEE C#CCN(C(=O)CCOc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1538197795 BSGDEQZESGVFLU-LJQANCHMSA-N 428.326 4.512 30 10 IJEE Cc1cccc2nc(CCNC(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)cn12 1538239872 GWYXUNLDPCHJGD-UHFFFAOYSA-N 430.895 4.933 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)OCC 1538478685 IFWICSCPOGWHCH-LJQANCHMSA-N 436.961 4.759 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(Cc1cccs1)C(C)C 1539497574 LGPPNKZWOUNENU-UHFFFAOYSA-N 426.611 4.797 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1539752805 ZZLQYXVHTHVASH-UGKGYDQZSA-N 449.426 4.790 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(Cl)nc2)CC1 1539836308 PNVDXVOQXPFCOD-UHFFFAOYSA-N 430.339 4.860 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2sccc2C)CC1 1539896900 WLMGVZXRSDVSED-UHFFFAOYSA-N 438.597 4.881 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H](C)C1CCC1)c1ccccc1 1539932198 YBEJTYSPBHEUMR-NFBKMPQASA-N 435.616 4.889 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(Cc2csc(C)n2)CC1 1539959381 KSUUFNCHZJKHAB-UHFFFAOYSA-N 440.592 4.528 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1539966897 NESPLETVFWBGIV-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1Cc1nc(C)cs1)C1CC1 1540099453 ZQKHRFGAYDTEIV-UHFFFAOYSA-N 448.365 4.815 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1OC 1540136931 MYGCNOLPAIHDFB-OFNKIYASSA-N 435.547 4.795 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(C)cc1C 1540187383 OYCOCYZHEXWSNK-HSZRJFAPSA-N 434.584 4.860 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 1540607871 DJQNARXFMLMBLD-UHFFFAOYSA-N 433.537 4.516 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1cccc(C)c1 1545025023 CUUMOLLKGLAYSY-NOZRDPDXSA-N 440.503 4.602 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1556331277 ZTQNKAYLOBGAPL-IBGZPJMESA-N 439.560 4.611 30 10 IJEE C#CC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2)C(=O)OC 1556970809 IWOYERIFXZNPPR-RIXQQTFQSA-N 442.490 4.546 30 10 IJEE O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1558300969 APIBMKZFAWUTJZ-UHFFFAOYSA-N 436.327 4.942 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1562257973 FCHOLZAPEJLDEB-QFIPXVFZSA-N 436.987 4.682 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCCO)[C@H]1CCc2ccccc21 1562928967 BXTGLDJVMCXWJF-FQEVSTJZSA-N 445.357 4.918 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 1564226186 IIVRAPAVGWDOJR-UYAOXDASSA-N 431.458 4.817 30 10 IJEE C=CCC1(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)CCCC1 1568998622 QKINPVFQYFLRAC-UHFFFAOYSA-N 434.508 4.632 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCc1ccnc(C(C)(C)C)n1 1588283945 IEFHNGCZEZRFST-UHFFFAOYSA-N 442.567 4.871 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1cccc(F)c1)C(C)C 1589558975 NECKFDZWWKCHKR-DHLKQENFSA-N 449.574 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(CC)(CC)C1 1589559642 TZEPDKPWCAJCAA-QPPBQGQZSA-N 438.616 4.897 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1594077964 WTMQFADLCABKHN-GOSISDBHSA-N 443.567 4.744 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCSCC1 1594472705 HPJSILFMVIJHCW-UHFFFAOYSA-N 430.618 4.898 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1594473511 UJXILNBRZAPYEV-UHFFFAOYSA-N 429.996 4.648 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@](C)(CC)C1 1594572620 HQDYNLLAINLWDY-HSZRJFAPSA-N 444.649 4.529 30 10 IJEE C=CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCSC(F)(F)F)C1CC1 1595027249 ZZTMBBGSKBJXGP-UHFFFAOYSA-N 434.491 4.743 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1cccs1 1595501408 SFTGCGCAQAGNOL-FQEVSTJZSA-N 449.624 4.948 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2Br)c1 1595518206 GPZLNYNBUVVDPH-LJQANCHMSA-N 426.358 4.624 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCSC(C)(C)C1 1595664922 MALMFOHQMUHGPN-UHFFFAOYSA-N 426.630 4.956 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)S[C@@H](C)C1 1595900503 CYSXVEOOIBFOSI-ROUUACIJSA-N 432.659 4.669 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](C)Sc3ccccc3S(=O)(=O)CCC)cc2n1 1611184950 PNJAPFFLYMGHDE-INIZCTEOSA-N 443.594 4.525 30 10 IJEE CCOc1cccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)n2N)c1 1613607723 IFVHEWLRWOYURQ-UHFFFAOYSA-N 427.533 4.889 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(-c4cccc(OC)c4)cc3)n[nH]2)c1C 1617342609 FXDMTCICGZFSSL-UHFFFAOYSA-N 441.535 4.682 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(CC#N)CC1 1618494639 IWBSLFKCCXMCFQ-XMMPIXPASA-N 443.547 4.670 30 10 IJEE C=C1CCC(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2OC)CC1 1628309320 FZUZQTSITCGGKB-UHFFFAOYSA-N 434.945 4.834 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(Cl)cc1 1635632058 JRVVGGLKDZCWSO-OALUTQOASA-N 431.964 4.636 30 10 IJEE Cc1nc(O)nc(S)c1C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1639323903 GBJQGAUXJJXOIC-UHFFFAOYSA-N 428.926 4.708 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](CCC=C)c2ccc(C(F)(F)F)cc2)c1 1642447946 XLTXTZLVKCGOKW-FQEVSTJZSA-N 429.442 4.632 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)OCC 1643590602 WLEHBYVTIMDITB-INIZCTEOSA-N 442.730 4.936 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)C1 1645066754 LMIMLIFDVNONKS-QGZVFWFLSA-N 433.618 4.994 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1 1646526917 FOZJBOCSKBWYMX-JOCHJYFZSA-N 442.600 4.755 30 10 IJEE C=CCn1c(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)nnc1-c1cccc(C)c1 1651334929 AXYGPDGUVKSFEQ-UHFFFAOYSA-N 439.484 4.884 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 1654079084 CAUSZLCFJMREKH-UHFFFAOYSA-N 438.471 4.899 30 10 IJEE C#CCC1(NCCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CCCCC1 1654888626 BIYDFERLTSYHQF-UHFFFAOYSA-N 433.552 4.592 30 10 IJEE Cc1nc([C@H]2CCN(C(=O)Nc3ccc(Sc4ccc(Cl)cc4C#N)cc3)C2)n[nH]1 1662729491 IBNRPPNEJIVYEU-AWEZNQCLSA-N 438.944 4.811 30 10 IJEE C=CCOc1c(Br)cc(CNCC(C)(C)C2CCOCC2)cc1OCC 1663362228 XWVMJKHFNXBIHI-UHFFFAOYSA-N 426.395 4.955 30 10 IJEE N#CCc1ccccc1S(=O)(=O)NC1(c2ccc(Br)cc2)CCCCC1 1670320104 CSIWKWPNWGVAFF-UHFFFAOYSA-N 433.371 4.653 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 1673381197 KGHSVMHTHDIDEC-CTNGQTDRSA-N 448.325 4.986 30 10 IJEE C#C[C@@H](NC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccsc1)c1ccccc1 1674025177 ACHPMWYYZPCPIB-JOCHJYFZSA-N 434.561 4.894 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 1683288761 CKSAXBNWBNPIBT-QFIPXVFZSA-N 433.518 4.966 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1OCCC1(C)C 1690039669 OSFUMGSFEZLIFK-XMMPIXPASA-N 448.611 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCOC(C)C 1690258403 FGHXVALSTIZJOP-UHFFFAOYSA-N 437.382 4.544 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690295923 YKSBATDSMXHHKX-CVEARBPZSA-N 438.403 4.659 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1690317240 WENORRYQNGVSNA-PXNSSMCTSA-N 427.420 4.624 30 10 IJEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690490264 UVWKSSSXGJKNNC-IBGZPJMESA-N 447.505 4.795 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1690508667 MWRDQUMXDSSOAA-HXUWFJFHSA-N 432.996 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690586923 WIFDTADQENQEDT-TZIWHRDSSA-N 439.560 4.873 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC2(CCCCC2)O1 1690624325 NWJVHCFJZIVCSK-QHCPKHFHSA-N 438.616 4.698 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)cc1 1690678923 FPEJSYBEHSCYTJ-VQIMIIECSA-N 445.489 4.531 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1690697270 RSLRDLWNAQXVCY-RTBURBONSA-N 438.469 4.948 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)COc1ccccc1OC 1694049916 FCZARVFRGGJDDF-OALUTQOASA-N 425.577 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1nc(C)cs1 1705483348 SPBFERMRKYNCDS-HIFRSBDPSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1705519065 XICLPOQJHSQLQD-GBXCKJPGSA-N 429.568 4.664 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1705684442 QLEHQLHQNYMIMD-OAHLLOKOSA-N 445.361 4.918 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1SC 1705699551 IMBXAZFSRIOSHX-REWPJTCUSA-N 449.624 4.988 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1F 1705725104 JGZYJQOPNLZYMR-IBGZPJMESA-N 443.567 4.744 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1705766108 NBVMJNJXCBAPKE-SZPZYZBQSA-N 432.616 4.731 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1705808931 DTLOEFHQQADGRZ-UWJYYQICSA-N 430.980 4.871 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(C#N)o1)C1CC1 1705857871 CKSJFYBREBYCMR-UHFFFAOYSA-N 431.540 4.957 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(OC)C1CC1 1705859481 BCOJFCCETQUETD-AREMUKBSSA-N 442.567 4.528 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1705893642 CSYMJJIHYIEELW-LSTHTHJFSA-N 448.970 4.753 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cnc(C)s2)cc1 1705911547 KRVLWWHKNNKYDE-NRFANRHFSA-N 439.585 4.534 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1Cc1ccnc(C(F)(F)F)c1 1707642295 GEKYTXQKXHSHAU-UHFFFAOYSA-N 440.473 4.846 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1722312723 KNWWDZVOFZEYPA-PGRDOPGGSA-N 436.581 4.785 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1722327443 ZJYZAPOYSCQQLZ-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C#N)CC1 1722327559 FXQDWJZLWCXQGO-UHFFFAOYSA-N 432.753 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCSCC(F)(F)F 1722473943 DZPOKFZXCQIXHB-OAQYLSRUSA-N 447.530 4.638 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@H](COC)C1 1722495017 PIMSVNRYZIHYBT-QTJGBDASSA-N 438.616 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nnc(CC)s1 1722502048 RTBQWKNESJBBST-GOSISDBHSA-N 440.617 4.900 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(C)cc1 1722507323 HZEXSPVETQUXLV-NFBKMPQASA-N 426.605 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1722589644 MFKRTQILLFPRGC-QFIPXVFZSA-N 449.599 4.584 30 10 IJEE C=CCCOCCn1c(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C 1722626702 HNCDDVDWUIAASM-KRWDZBQOSA-N 447.649 4.500 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCc1nc2c(s1)CCCC2 1722635576 AAOQUNMKZRGORM-UHFFFAOYSA-N 428.993 4.584 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(OC)CCCC2)C1 1722717173 FOFYPFYIDFMGNM-JOCHJYFZSA-N 438.616 4.983 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCCCC1 1723761805 FZFRCYUWRCHSES-LJQANCHMSA-N 432.572 4.872 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1723784467 CDDNHTZHFVGLJH-PFAUGDHASA-N 445.652 4.776 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)SC)C1 1727337862 AFDLSQVQHFFREF-UHFFFAOYSA-N 427.618 4.887 30 10 IJEE COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)c2cccs2)c1 1730007712 IESYKYNMQGUSDU-MRXNPFEDSA-N 439.585 4.740 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1Cc1cccs1 1740586535 DTJLAQIYSPMKJU-IBGZPJMESA-N 436.581 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCc2ccc(Br)cc2C1 1740751756 OHSQNCSYUVRKSH-XLIONFOSSA-N 445.405 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCOC(F)F 1740768921 CSUXNUZYJMRIDK-UHFFFAOYSA-N 429.309 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H](C)c1ncc(C)s1 1740774871 DNNPPRRNNITBNK-QGZVFWFLSA-N 425.602 4.849 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc(F)cc1 1740782299 LQEAXYSPHYZWNE-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2sc(C)nc2C)CC1 1740819378 OMDRHCUILILJPT-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740870504 GTQMIHBTDGBXDM-UHFFFAOYSA-N 431.968 4.622 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCC1 1740922874 VSVIYUZQXGMKHM-RDPSFJRHSA-N 442.629 4.929 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)C(C)C)C1 1740977555 VJUGCLBVDFKDCJ-QFIPXVFZSA-N 434.588 4.594 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC=CO1 1741967692 BMXFVTVUPJUHAO-KPDCDPCYSA-N 441.963 4.894 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(COC)CC1 1748732326 YLTJFLGDOTUJPL-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(c2ccccc2)CCC1 1748802980 LYIXJGJBWNFSKX-NRFANRHFSA-N 449.599 4.541 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(C)(C)C 1749085286 AOHCSDBKNOWOJR-AWEZNQCLSA-N 425.346 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](COCC)C1 1749124237 LMCRONUQGMMINN-KNKQGSTJSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(Cc1ccco1)C(C)C 1749132570 AMEWNTPINFOYEF-KNQAVFIVSA-N 426.586 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1CCCCO1 1749141649 FPNOYRRYJVNIMW-NRFANRHFSA-N 425.577 4.509 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@](C)(OC)C2CC2)CC1 1749293565 BOYCCRWVIPRQGW-RUZDIDTESA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCOCC(F)(F)C(F)F)CC1 1749295793 AKTLULMSJSGCNA-UHFFFAOYSA-N 432.849 4.672 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccc(C(F)(F)F)n2)CC1 1749304658 CNPOZFFSDBAEMF-UHFFFAOYSA-N 431.437 4.627 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCn2cc(C)nc21 1749466342 OZUGYOCGHIUQEW-ROUUACIJSA-N 440.979 4.776 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@@H]1C(C)C 1749501537 BQQQDAKVUBADBK-MGPUTAFESA-N 439.387 4.847 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1749502573 YCFNJVCWOYJMFO-YJBOKZPZSA-N 426.458 4.987 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN(C)C1CCCC1)C1CC1 1749510900 BACGZCZIHOPMEE-UHFFFAOYSA-N 429.996 4.636 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1749627691 WCJNSLDURKDSTK-KRWDZBQOSA-N 443.567 4.915 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](CC(C)C)C2)cc1 1749686694 XHDGUWLRFKKHHL-HSZRJFAPSA-N 448.615 4.625 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@H](SCC)C1 1749690148 NWMMTGWUFMJPKB-FQEVSTJZSA-N 437.613 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C2CC2)cs1 1760215394 ZGCDZHLGOHCPOA-UHFFFAOYSA-N 439.947 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 1760317295 DIBKXHVCMIQYSR-QVNIBDNGSA-N 437.563 4.666 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)C2CCCCC2)CC1 1760404642 DUJNCRYFKXRKMY-AREMUKBSSA-N 438.616 4.899 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(C#N)CC1 1760446826 DEWMGAFJCUGZNL-OAQYLSRUSA-N 437.588 4.758 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCCCC1 1760491798 UQAMAEQKJGNEBM-UHFFFAOYSA-N 444.421 4.762 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CC(C)C)C(C)C 1760514606 BCAHMKSQEAXWEE-UHFFFAOYSA-N 448.615 4.526 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCC=CO2)C1 1760547892 UEQSIVZGQFBZQU-RBUKOAKNSA-N 447.004 4.698 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C1 1765167296 AQVIRLYKZMJFMO-OAHLLOKOSA-N 426.446 4.515 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN(C)C 1766849852 HSRISZRKCNUSCB-UHFFFAOYSA-N 436.629 4.535 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCC1(F)F 1768637134 ACZZRWNJUFUFKJ-NRFANRHFSA-N 436.510 4.597 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)ccn1 1771421888 CSIKHYZCHVOGTF-UHFFFAOYSA-N 444.564 4.990 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4cccnc4)oc3c2)c(C#N)c1C 1859736085 IEUMTJXDIGWRGE-UHFFFAOYSA-N 432.461 4.560 30 10 IJEE N#Cc1cccc(NC(=O)c2ccnc(NC(=O)COc3ccc(Cl)cc3Cl)c2)c1 1860507921 YYJQVCLWYYKOKS-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)cc1 1860705679 COIGDIUTEHJLAQ-UHFFFAOYSA-N 440.499 4.806 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862447306 NAVGWSGMMMKIMD-FQEVSTJZSA-N 439.895 4.949 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862451209 ZMBRSZYSKAHXGK-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)[C@H]2c2ccccc2)cc1 1862475836 VSEBDQRGGKHTSU-MACNSFEFSA-N 443.543 4.657 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)c(OC)c2)cc1 1862537939 BXQIAQJWZSSTQB-QHCPKHFHSA-N 447.487 4.638 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1OC 1862580217 ZOTGGVFTCCZMFZ-LJQANCHMSA-N 448.302 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591863 PSKOAALXYDTQJP-HXUWFJFHSA-N 439.920 4.928 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Br)c1 1862600637 XDVKBCDYBWHJGK-LJQANCHMSA-N 444.325 4.923 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862618096 OYONTKRIXGNIEG-NRFANRHFSA-N 440.971 4.777 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862677433 BMPBLWPNJUXVQK-HXUWFJFHSA-N 443.446 4.986 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862725439 JEWBOWWATUBOTI-MWTRTKDXSA-N 447.918 4.966 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1cccc(F)c1 1864840804 FYZBWMXBVXTDRJ-FQEVSTJZSA-N 442.579 4.776 30 10 IJEE CCCCCCCOc1cccc2c1C(=O)N(C[C@@H](c1ccc(OC)cc1)N(C)C)C2=O 1865825881 XJIOHJSKBYWROQ-QFIPXVFZSA-N 438.568 4.943 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccccc2Cl)n(-c2ccc(OC)cc2)n1 1870001424 DKBQRFKUQGKNOS-XNTDXEJSSA-N 449.942 4.760 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)Cc1cccc2ccccc12 1870110296 LCRNBIBLGUDCBH-UHFFFAOYSA-N 436.302 4.839 30 10 IJEE CCCCCCCCNC(=O)c1cn(-c2ccc(N(CC)CC)cc2C)c(=O)cc1O 1870128397 SYADJDKTNHQTBL-UHFFFAOYSA-N 427.589 4.788 30 10 IJEE CCCCCCCOc1cn(CCO)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870414068 GAMRMHBMDNVXPZ-UHFFFAOYSA-N 440.628 4.645 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(C)c(C)c1 1871015382 DIISUDMSGMVUOI-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1ccccc1CC 1871167826 MZFNFIWGJSOAAN-UHFFFAOYSA-N 445.563 4.789 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1ccc(CC)cc1 1871190674 KTJJKAXRXSXOCF-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871345789 NXNMPNNNBHPSHB-NHDPSOOVSA-N 447.512 4.811 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871369897 KMQIVGZZYBIFRW-FMCGGJTJSA-N 444.439 4.633 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3Cl)ccc2C1=O 1871455068 ACEHZUDLLBFUAW-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE CCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871580432 MJOIPMDECZAWAB-SFHVURJKSA-N 428.600 4.915 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871972133 DBEPFXZXSLSBDP-OAQYLSRUSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871988773 NDGMFZVWLZGFTD-KKSFZXQISA-N 436.524 4.585 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CC 1872581127 SFTWRVAQFHQFHG-QFIPXVFZSA-N 437.650 4.566 30 10 IJEE N#C[C@H](C(=O)c1ccccc1I)c1nc(-c2cccs2)cs1 1872774025 FPVBULLVDAKGMH-LLVKDONJSA-N 436.299 4.966 30 10 IJEE CCOc1ccc(CCc2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc1OC 1872804825 MOROPYVXLULVPN-UHFFFAOYSA-N 440.503 4.879 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2cc(F)cc(F)c2)C1=O 1873107356 SNLCZXUGDPZHGG-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE O=C(CSc1nncn1/N=C/c1c[nH]c2cc(Cl)ccc12)Nc1cccc(Cl)c1 1873502300 KEKLKZTUJFVYOZ-PGGKNCGUSA-N 445.335 4.679 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C2CC2)ccc1OCc1ccccc1Cl 1873502756 TYFGMIZIYJCTCX-FSJBWODESA-N 428.945 4.958 30 10 IJEE COc1cc(/C=N/Nc2ncnc3[nH]cnc23)ccc1OCc1ccc(C(C)(C)C)cc1 1873792376 FOILZCMVSPXISV-XKJRVUDJSA-N 430.512 4.684 30 10 IJEE COc1ccc(Cc2nnc(SC)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1OC 1874238391 GDTBIUMGPJBZKO-WYMPLXKRSA-N 436.459 4.509 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCCO)n2/N=C/c2cccc(Cl)c2)c1 1874247421 DLQYCFVSJNBAQY-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874342826 KSJXQGJWQMPRGF-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCCO)cc1 1874365023 HJBSDVAYRSNCGD-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874475335 VAVLYSZRCURIAV-OEAKJJBVSA-N 427.961 4.887 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(Cl)c1 1874485476 XSGDLQHXCFYTJV-OEAKJJBVSA-N 436.025 4.852 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)ccc1OC 1874567478 ZBXBVZOFMFVRFR-ZVHZXABRSA-N 426.586 4.615 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)c(Br)c1OCCCO 1874595110 VEVSYESMVJOGCI-VQHVLOKHSA-N 425.706 4.768 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OCC(=O)OCC(C)C 1874610683 GBWKHVBEJAZNRA-VQHVLOKHSA-N 447.325 4.932 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1874627327 JXZORVUORTVHDI-WEVVVXLNSA-N 446.450 4.797 30 10 IJEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1[N+](=O)[O-] 1874692637 QCYZLTCLPYJQDP-PKNBQFBNSA-N 432.388 4.927 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1C 1875108809 HULJINHCFRCCOI-XBXARRHUSA-N 446.455 4.856 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNc2ccc(C#N)c(Br)c2F)C1(C)C 1885858132 KGYFWKKQNQYXEC-TZMCWYRMSA-N 426.330 4.811 30 10 IJEE CC1(C)OB(CC2CN(Cc3ccc(Br)cc3Br)C2)OC1(C)C 1948808747 FJLFQXKMSPIRIZ-UHFFFAOYSA-N 445.004 4.736 30 10 IJEE C#CC[C@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CC1 1987989908 UZHUUINTOJYFMN-LGIRGXTLSA-N 444.575 4.858 30 10 IJEE C[C@H](C(=O)Nc1cccc(C#N)c1)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034818122 JIQHOZUMPFTKBF-JOCHJYFZSA-N 426.564 4.519 30 10 IJEE Cc1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1I 2079172321 QGUPJAVUUHSFHS-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)n4)c(C(F)(F)F)nn13)CSC2 2081367351 YOHHEHILUIQUTR-UHFFFAOYSA-N 438.328 4.723 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2235719030 FFXZCYPBADEJDE-ROUUACIJSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@]2(C(=O)C#Cc2ccccc2Br)C1 2235734912 RXANITQZFVTPDH-VGSWGCGISA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@@H](O)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235739457 IFLRRXSFVGOTJT-AVRDEDQJSA-N 436.390 4.835 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2cccs2)oc1B1OC(C)(C)C(C)(C)O1 2255657481 PLHNBUPKJJAVMU-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296299334 UFKKNRIUFMMCDV-VQTJNVASSA-N 435.406 4.862 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccccc3F)S2(=O)=O)cc1 2296957067 ISORXDVICZMRHP-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2305316645 NTJSQXCEURLEAC-OFVILXPXSA-N 430.589 4.801 30 10 IJEE COc1ccccc1C=NN=C1SC(=Cc2ccccc2O)C(=O)N1Cc1ccco1 2314819227 VTFAZDMGOIIVJO-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccn2)C3=O)c1 2323494359 DVCJGEXNORZKGH-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC 2323673415 SMEPQZYPGLRJQC-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE COc1ccc(-c2csc(NN=Cc3ccc(O)c(Br)c3)n2)cc1OC 2323858586 OWMPNLDYRLLCGU-UHFFFAOYSA-N 434.315 4.741 30 10 IJEE CCOc1ccc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1[N+](=O)[O-] 2323865990 DRVRLPFQVIQAQI-UHFFFAOYSA-N 428.470 4.580 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323990964 AHQHWBYQSKOLIL-UHFFFAOYSA-N 443.927 4.827 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2324293743 SEPFFGIVOLYJMB-UHFFFAOYSA-N 449.503 4.834 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324464977 GCUZALOFGRQYOS-HNNXBMFYSA-N 433.435 4.857 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(F)cc1F 2326208326 XMUOLEKNVYDMMI-UHFFFAOYSA-N 446.523 4.743 30 10 IJEE CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2328785169 SDWNTUKXJJFCKV-UHFFFAOYSA-N 446.960 4.836 30 10 IJEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(N(CC)CC)cc1 2329207752 DJRWSJIRTNVGAM-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE CSc1nnc([C@H]2CCCO2)n1N=Cc1ccccc1OCc1ccccc1Cl 2330884498 YJOIQTODOSZERP-LJQANCHMSA-N 428.945 4.966 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccncc1 2330986850 WCSAGSOEBPRAQM-UHFFFAOYSA-N 429.472 4.943 30 10 IJEE CCOc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)ccc1O 2331189486 OLECYLWGNSFYJE-UHFFFAOYSA-N 438.484 4.956 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C(C)(C)C)c1 2331409000 HPEYXXRHYKLDMQ-UHFFFAOYSA-N 432.590 4.538 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)(C)C)cc1 2331413904 VMZMBVRRMPGDSI-SFHVURJKSA-N 435.597 4.736 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)c1 2331539934 DXJPUPQTFCZQFD-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(Cl)cc1Br)NCC)C(=O)OC(C)(C)C 2337907764 RJGRHGSVPVQPCS-KRWDZBQOSA-N 443.813 4.884 30 10 IJEE C[C@H]1[C@H](C)N(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339540447 VVLMNSGWZRXURN-ROUUACIJSA-N 443.397 4.560 30 10 IJEE C[C@@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339586620 IGHBRPWFVQLENM-MJGOQNOKSA-N 443.397 4.926 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2358671251 GLYBKFFJURHDQC-NSHGMRRFSA-N 433.390 4.638 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 9175766 AFIVPTGBPJWRTP-UHFFFAOYSA-N 427.957 4.556 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c(C#N)c1C 9297839 YHYUKSXEFLCDQD-UHFFFAOYSA-N 432.457 4.617 30 10 IJEE C=CCSc1nnc2c(n1)O[C@H](c1cccc(C)n1)Nc1ccc(Br)cc1-2 9601921 URLMVGNKUSXCOR-QGZVFWFLSA-N 442.342 4.786 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4OC)ccc3C2=O)cc1 33550372 ONUPYCOMDQRPQG-CFRMEGHHSA-N 445.471 4.646 30 10 IJEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 41432501 JICQUEUKRPFGSG-XKZIYDEJSA-N 445.427 4.642 30 10 IJEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc(O)c2CN1CCN(c2ccc(F)cc2)CC1 41585599 HQZOUJAKSPKLGF-IWIPYMOSSA-N 448.469 4.609 30 10 IJEE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N\NC(N)=S)CC(C)(C)C3)c1 101110082 XFPQCBGYEHSNAT-XYGWBWBKSA-N 427.570 4.749 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c(C)c1 170049911 GIEQZICBBFSTHU-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(C(C)C)cc1 170067960 PBHDMVKKENTZCQ-XMMPIXPASA-N 442.515 4.992 30 10 IJEE O=C(O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170093204 VYVBGTFLMYJEGL-OAQYLSRUSA-N 443.411 4.503 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(O)cc1 170133552 FOSRXUZIQKUKIG-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccncc2)c1C 170203170 KUSCGQDJZKJSLX-VOIUYBSRSA-N 440.499 4.805 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)ccc1Cl 170204313 WHSIXHQCZKDLDI-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2)c1 170221468 NRJSBBXBIDLGCY-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(F)cc2)cc1 170239758 KKFAAALFRSCTLD-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)c1 170258415 VLVCGXMCFQBFRM-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)c(C)c1 170259746 FCTLCUUZDFBNNY-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1C 170274355 UTWFMUAVAOLHHQ-QHCPKHFHSA-N 442.515 4.794 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303552 SZTAKSLNQDQRKN-FQEVSTJZSA-N 437.835 4.753 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)c1 170330407 RTXIWGOMCBHAQC-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170360960 ITFSUOLAEHDICM-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cn(C)c3ccccc23)cc1C 170395409 LONDAVLYUJERDE-DEOSSOPVSA-N 437.499 4.973 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 170432198 JNOITPRDINTCOG-GOSISDBHSA-N 440.496 4.959 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccc(O)cc1 170448161 XYNNTUYIWWCAKB-IBGZPJMESA-N 435.398 4.806 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)ccc1O 170464394 ANCQZJMJRWZYEJ-HXUWFJFHSA-N 429.900 4.878 30 10 IJEE CC(C)c1ccc(/C=C2/S/C(=N/[C@@H]3C(=O)C=CCC3=O)N(c3ccccc3)C2=O)cc1 229902216 AKBBGRQRKONFHU-NGGPPIJPSA-N 430.529 4.754 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 379652874 YCIBTFCQCLTIDW-XMSQKQJNSA-N 427.386 4.604 30 10 IJEE N#Cc1c(F)cccc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 427809316 ULXHOQXCPQZHBO-KRWDZBQOSA-N 446.322 4.949 30 10 IJEE N#Cc1ccnc(NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)c1 436000029 AXSDPZULFFMQQH-UHFFFAOYSA-N 431.805 4.552 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508828081 OISBVIJYYWCGMN-UHFFFAOYSA-N 443.551 4.525 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccc2Br)CC1 525514272 NOEXSUSJGKHSQZ-UHFFFAOYSA-N 444.329 4.787 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1c[nH]c2ccccc12 526831792 XFDKBBNNBMMMFX-MSXFZWOLSA-N 437.525 4.655 30 10 IJEE N#Cc1ccccc1Oc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc1Cl 545776008 HLGQZINZYUYSTN-UHFFFAOYSA-N 433.811 4.948 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 581218931 CJWJMTVFVRUZLY-SFHVURJKSA-N 436.478 4.707 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](OC(F)F)C1 581640961 QTBCBCQGLKKQOE-JXFKEZNVSA-N 428.483 4.965 30 10 IJEE N#Cc1ccccc1CSCCNC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 610166240 GUCYPTSPEJUGML-UHFFFAOYSA-N 445.470 4.818 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@H](c4ccccc4)CS3)COC2)cc1 705693263 XYAFAHABPSJLDQ-VWLOTQADSA-N 443.616 4.892 30 10 IJEE C#CCNC(=O)c1cccc(-c2noc(-c3sc(-c4ccccc4)nc3C(F)F)n2)c1 761800032 QLSNLRODUOFDDH-UHFFFAOYSA-N 436.443 4.828 30 10 IJEE C=CCn1c(SCC(=O)OCc2cnccc2C)nnc1-c1ccc(Cl)cc1Cl 762355602 XAOFNTGVXFFXTD-UHFFFAOYSA-N 449.363 4.977 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nn(CN2CCO[C@H](c3cccc(OC)c3)C2)c1=S 765147893 ATQASAPEAJPNBN-QFIPXVFZSA-N 436.581 4.615 30 10 IJEE COc1ccc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)c(Br)c1O 777468276 QNUZLAMZNFASPD-POHAHGRESA-N 428.204 4.790 30 10 IJEE C#CCN1CCC(c2nc(-c3ccc(-c4csc(-c5ccncc5)n4)cc3)no2)CC1 799188480 LYMVRBSOQOVTRT-UHFFFAOYSA-N 427.533 4.735 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 802583947 RMWUHDDFCZUDMZ-UHFFFAOYSA-N 439.604 4.637 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1)c1ccccc1 811898194 NHNAUTCMDQRENK-HJNYFJLDSA-N 441.369 4.669 30 10 IJEE COCOC(C)(C)C#C[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@H](OC(=O)c3ccccc3)CCC[C@@]12C 1084293994 KZCGXVQSDRGSNX-NHHWPJNASA-N 442.596 4.828 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)SC1=S 1084402919 BTXQNMFAAKCMNZ-RGEXLXHISA-N 425.531 4.692 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3Cl)n2)cc1 1084417407 OWZYKZMVSPRIQX-UHFFFAOYSA-N 442.976 4.932 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc2ccccc2c1)[C@H](Cc1ccccc1)C(=O)OCC 1128003759 YNFBYQUXMSNSML-NBGIEHNGSA-N 431.532 4.796 30 10 IJEE N#Cc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1Br 1130068252 HQXNLRNBCTWVLK-HXUWFJFHSA-N 448.320 4.821 30 10 IJEE C=CC(C)(C)CCNC(=O)c1ccccc1SCC(=O)Nc1ccc(C(=O)OC)cc1 1131400910 NRMMDYQITFQJCM-UHFFFAOYSA-N 440.565 4.536 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OCC 1132192519 JERRVRZSDKIMKA-ISZGNANSSA-N 443.771 4.928 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 1136340887 INNBUANIAVYARO-UHFFFAOYSA-N 439.918 4.991 30 10 IJEE C#CCC[C@@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1138991337 NETSGSQXHYDSJY-DHUDHEQZSA-N 440.543 4.624 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)cc1OC 1148593078 CPLCLTJIOLFFQK-JHTBKMLMSA-N 427.928 4.957 30 10 IJEE C=C(C)CN(CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)Cc1ccccc1 1169952323 DVYLKGGANKXVJR-UHFFFAOYSA-N 437.565 4.844 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC2(CC2)c2ccc(Br)cc21 1196236264 ACDIZUSHXIQSSQ-OAHLLOKOSA-N 431.399 4.966 30 10 IJEE CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 1201432033 BVFITWDBUBTBCN-HXUWFJFHSA-N 445.336 4.761 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1cccc(Br)c1I 1206829374 HCNWYOSTVQEAAC-JTQLQIEISA-N 437.119 4.920 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCC(OC3CCCC3)CC2)n(-c2ccc(C#N)cc2)n1 1217730889 HLTROTGXJBZATA-UHFFFAOYSA-N 435.572 4.997 30 10 IJEE C#CCOCCNC(=O)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1224887676 KSRPPFUUCMNOQC-OAQYLSRUSA-N 434.458 4.507 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CCCC1 1230919071 MBWLCCIRJSZJNL-UHFFFAOYSA-N 437.506 4.699 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C 1252972027 WTRPXYCVDULHPY-SMIHKQSGSA-N 436.600 4.766 30 10 IJEE C=CCOc1ccc(COC(=O)c2cc(Br)ncc2Br)cc1 1268824743 GZSZZCBPCODSMO-UHFFFAOYSA-N 427.092 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCS1 1286518181 CKZPXJUEYRXEIC-PMAPCBKXSA-N 428.577 4.835 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCCCC2)CC1 1286621332 BWGWLMJEHDAFAM-SFHVURJKSA-N 447.986 4.764 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCO[C@H]2CCCC[C@H]2C)CC1 1286650991 OBNFHNHKIMFMQN-YUMYIRISSA-N 430.637 4.948 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](OC)C2CC2)CC1 1286655867 UJCMTGJZGLGLFZ-HNNXBMFYSA-N 437.407 4.597 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286667188 HQNGFBKUQRYGME-GOTSBHOMSA-N 432.616 4.599 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 1286679395 OWIIJGLOHRDDOR-ZKMFCFPVSA-N 435.616 4.789 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1Cc1cccs1 1286704459 VPJVHJOEHOXWRJ-QGZVFWFLSA-N 441.626 4.509 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 1286733609 DTEFYAYWLWXTGQ-UHFFFAOYSA-N 431.462 4.580 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC1CCC1)CC1CC1 1286771534 WVBSRPUKCSREEN-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)N1CCCC1 1287155681 FHZBLNHCEXZWHN-XZOQPEGZSA-N 434.632 4.810 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2csc(C)n2)cc1 1292405935 FGGSFIXQBSFLRU-QGZVFWFLSA-N 435.977 4.771 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1Br 1296544112 ZHQJSISTTAZESH-INIZCTEOSA-N 425.367 4.623 30 10 IJEE C=CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCCC1 1297942436 BAAXHXHOFKXLEZ-UHFFFAOYSA-N 446.544 4.644 30 10 IJEE C=C[C@@H](C)ONC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1300210908 MKPJPFTXNPNOBF-CQSZACIVSA-N 435.471 4.818 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccoc1 1300349279 XUCXWBSHDGSULU-UHFFFAOYSA-N 431.309 4.880 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1300363431 YSGMJIMIZXQOSL-TZIWHRDSSA-N 443.636 4.869 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1300513512 YMJCZFITHADDQH-VDKIKQQVSA-N 445.655 4.649 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC1(C)C 1300563114 DSRPXHCJROITHC-GOSISDBHSA-N 425.374 4.525 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCC(OC)CC1 1300907235 XLOMMTUWHRXFDA-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(CC)(CC)SC)CC1 1301081010 ZYWWVKQEEQVRKM-UHFFFAOYSA-N 438.601 4.672 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1301119800 XCSGSPZDDPCSFY-OYRHEFFESA-N 446.643 4.976 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1301178054 FNTGILIWLZSQHL-IBGZPJMESA-N 440.523 4.525 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCCN(c2ncccc2F)CC1 1301194353 JJERATKLFZTFDF-UHFFFAOYSA-N 426.584 4.618 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCOC1CCCCC1 1301268827 RHJXBTJQJHDOEK-UHFFFAOYSA-N 425.577 4.509 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1301309657 USVAUDWVUSVAKA-WOJBJXKFSA-N 439.648 4.853 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCN1CCC 1301349581 PZRCRWMEHNQODD-DNQXCXABSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CCc1c(C)noc1C 1301350214 XNULCVAHWDFKTO-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(F)(F)F 1304872940 ACGDJWQBAMNQIF-CYBMUJFWSA-N 432.450 4.614 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C(C)(C)C)n2)C[C@H]1C 1305153775 FWPKUZKWQCPCIM-IAGOWNOFSA-N 434.613 4.906 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)COc1ccccc1C(F)(F)F)c1ccc(Cl)cc1F 1311711922 HCLFMEXYVSHJIJ-SJCJKPOMSA-N 428.813 4.939 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1OC)c1ccc(Br)cc1 1312245778 CGJJDBRPPYHDSX-WIYYLYMNSA-N 439.309 4.814 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1353124213 IQSKEZBHWSSQAY-QHCPKHFHSA-N 447.963 4.751 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCC2(CCCCC2)O1 1358996355 BSKGNZFHEICNRJ-VWLOTQADSA-N 444.623 4.798 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)C[C@@H]1CC 1359062219 ZNRCMDYSIKKNOC-ROUUACIJSA-N 430.643 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1CCC(C(F)(F)F)CC1 1359106502 GJLXKPGTKZYKSQ-UHFFFAOYSA-N 443.558 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1359110134 BGPGITBYGWUBPJ-IBGZPJMESA-N 427.593 4.911 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCCC1(C)C 1359116460 LYUMWIHWCPFIFJ-VWLOTQADSA-N 426.605 4.763 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359183285 HVCRIVYZUBVNOT-SLFFLAALSA-N 441.595 4.832 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1359232245 PSQGUPFESAJNDB-FHWLQOOXSA-N 432.012 4.814 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)COCC)C1 1359313331 KFVZQJYNCBWEMJ-HXUWFJFHSA-N 449.599 4.646 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2Cc3cc(Br)ccc3O2)c1 1359863831 YCEBVRVYQMLSNU-HSZRJFAPSA-N 432.317 4.967 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)c1ccc(Cl)cc1 1436648489 SKMVTAZBFAYGOJ-QFIPXVFZSA-N 442.902 4.862 30 10 IJEE C#C[C@@H](CC)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1436650961 IFSZWAYGGOYIGW-FQEVSTJZSA-N 428.923 4.942 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CC1CCN(CC(F)F)CC1 1443638880 BRTBZSONXDPFMP-UHFFFAOYSA-N 429.486 4.906 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1448936065 OOEJBCRLPGHXPR-SFHVURJKSA-N 442.515 4.850 30 10 IJEE C=CCC[C@@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(=O)OCC 1449689182 AHOCPJCBSMSYEF-MRXNPFEDSA-N 434.945 4.590 30 10 IJEE CC#CC[C@H](CO)NC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1 1452867690 YCYLZLHYBHZMSY-PCCDRTMGSA-N 431.557 4.758 30 10 IJEE CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 1458664505 GEESKCIRVKLZRS-SANMLTNESA-N 439.559 4.874 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CCC1 1460248778 CGYMFXKXCSYGLW-UHFFFAOYSA-N 439.559 4.922 30 10 IJEE C[C@@H]1CCCN(Cc2ccccc2CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)C1 1467866009 ANFOGOGMHSNNIU-OAQYLSRUSA-N 430.596 4.879 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1cccc(SC)c1)c1cc(F)ccc1F)C1CCOCC1 1469112940 LYPHBGYCHYIYEU-FCHUYYIVSA-N 430.520 4.504 30 10 IJEE C#CC[C@@H](NC(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccccc1 1469448714 UTDFYHSVAKLSFQ-GOSISDBHSA-N 433.733 4.771 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 1469490912 GQSPHDMVKNEPGK-YOEHRIQHSA-N 437.428 4.991 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCOc2ccc(Br)cc21 1469960568 QHBABMONDZJHHK-SXLOBPIMSA-N 443.316 4.613 30 10 IJEE CCc1ccc(CN(CC(C)C)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1470671463 GSWCSHLOGVRWDY-UHFFFAOYSA-N 432.612 4.953 30 10 IJEE C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 1472602242 JBNYVMHZVMPQGH-UHFFFAOYSA-N 427.353 4.751 30 10 IJEE N#Cc1ccc(Br)cc1OCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 1473040778 GIPOHYOGCJBTGI-OAQYLSRUSA-N 435.321 4.800 30 10 IJEE N#Cc1ccccc1OC[C@@H](O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl 1473301077 GGJHVDBIIUSODP-CVDCTZTESA-N 427.331 4.984 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(Cl)c(Br)c2)cc1 1474262267 PFQNUWJIUWQPMZ-UHFFFAOYSA-N 429.767 4.521 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1)C(C)(C)C 1476007269 RHKRJJMXXDYGDZ-LJQANCHMSA-N 431.895 4.909 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@]1(CO)CC[C@H](C)c2ccccc21 1476730204 ZNPGSGPOQQOGNG-OYHNWAKOSA-N 445.357 4.921 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)NCc3cccc(COCc4ccco4)c3)CC2)cc1 1477253885 AYKLKLPTMVFTCY-UHFFFAOYSA-N 429.520 4.957 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCOc2c(F)cccc21 1479450139 HRJBELAWALVSDC-GOSISDBHSA-N 437.284 4.949 30 10 IJEE CCCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC1(F)F 1500450526 DGDOOAFULKWEDB-HXUWFJFHSA-N 431.531 4.895 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1502293240 APHLFQGOHBMIKR-UYAOXDASSA-N 440.661 4.888 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2cccnc2)n1CC1CCC(C(F)(F)F)CC1 1505324763 GBGRNYDRFBRNLZ-UHFFFAOYSA-N 446.521 4.763 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1ccco1)N(CC)CC 1507521728 BIUNRBQMKNMXGP-AZUAARDMSA-N 431.540 4.825 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCn2cc(C)nc21 1507524059 UMHSULWKSQHEJZ-PZJWPPBQSA-N 430.600 4.783 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)N1CCCCC1 1507606847 ZJQRHRNOZLJTKG-UHFFFAOYSA-N 425.646 4.609 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)SC 1507664878 WPSITGWTZNMFEI-UHFFFAOYSA-N 445.430 4.621 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)OC1CCCC1 1507790069 VMNNUNGHEWGJNJ-UHFFFAOYSA-N 430.350 4.500 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1507884251 RHOQWOZPRXBCDY-UHFFFAOYSA-N 432.515 4.945 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](OC)C1 1507941542 LQUFUHPKINRNFJ-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CCCC(F)(F)F 1508004569 MYIDRTRURATVOO-UHFFFAOYSA-N 447.461 4.541 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2CCC(F)(F)CC2)C1 1508111903 KPCIXLWERGDTOF-SFHVURJKSA-N 432.515 4.561 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)s1 1513721538 HLSLDZSJVAAHTN-INIZCTEOSA-N 432.553 4.983 30 10 IJEE CN(C)[C@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1c(F)cccc1Cl 1522764924 HEAXFFCOWLWCCU-NRFANRHFSA-N 427.932 4.998 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3c(s2)CCCC3)c(C(=O)OCC)c1C 1524507910 DBJNOSDTQOTGPE-UHFFFAOYSA-N 433.551 4.769 30 10 IJEE N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 1527423402 GMHJRHHFHTXBPH-UHFFFAOYSA-N 436.436 4.833 30 10 IJEE C#C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1)c1ccc(F)cc1 1528046975 BQEAKFJATJPPMK-RUZDIDTESA-N 439.490 4.850 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)C1 1533315261 WFWODOFMVKJYAT-FQEVSTJZSA-N 426.582 4.720 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCC[C@H]3c3ccccc3C(F)(F)F)C2)c(F)c1 1534016640 DRNVXPMWFAMQLM-DJPFJPOOSA-N 445.460 4.995 30 10 IJEE C#C[C@@H](NC(=O)c1csc(Cc2ccc(C)cc2)n1)c1ccc(Br)cc1 1535484057 VWWRNUKYOXRUIY-GOSISDBHSA-N 425.351 4.909 30 10 IJEE Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)sc2ccc(C#N)cc12 1537459532 CXMBROYKECXJCS-TZIWHRDSSA-N 439.968 4.537 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1538047044 CLELHBOZTDFROC-GCJKJVERSA-N 427.342 4.775 30 10 IJEE N#Cc1cnc(C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)c(Cl)c1 1538088693 GQWMHKNUTMMICS-UHFFFAOYSA-N 445.679 4.750 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1539097223 GOEHQTGYFOMMPD-UHFFFAOYSA-N 444.526 4.782 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H](C)c1ccco1 1539497568 LCNPQAHXRKAIIK-OAHLLOKOSA-N 432.496 4.703 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOC(C)(C)C 1539500504 YLHRFCIUEAALRW-QGZVFWFLSA-N 446.686 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCOCCCC 1539549513 IQSRPVOHNCMMRV-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCN(C)C1CCCCC1 1539566027 BWAODOYIYMOZQL-HHHXNRCGSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H](C)CCC 1539620091 JDITXAYVHQUPKE-FGSXEWAUSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539642746 RTJCSUFLVDKEJH-URXFXBBRSA-N 438.616 4.662 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539693530 NWGCGKYCDGUONG-OAQYLSRUSA-N 428.577 4.568 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CCC[C@@H]2C)CC1 1539855883 LJHPBUAOZZFQEB-QFIPXVFZSA-N 437.632 4.930 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1539872085 YMQDYIDTCKELSE-URXFXBBRSA-N 437.632 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](OCC)C1 1539909290 JOWQBEXIYPCRPR-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H]1CC 1539917389 CROYONBTLJJQMC-OALUTQOASA-N 448.615 4.902 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21 1539962582 WRUTYSXPTSJBLX-GOSISDBHSA-N 432.549 4.861 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CCC(F)(F)F 1540013080 JXKZKWHXPSODFI-UHFFFAOYSA-N 447.299 4.974 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1 1540125905 CFUJBJITGGPZKW-LJQANCHMSA-N 437.613 4.777 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1541111620 ACDZHJXRRUJVNT-SFHVURJKSA-N 434.588 4.709 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@@H](C)C2)cn1 1541736677 GCGHFSNZLUSOIV-OALUTQOASA-N 430.556 4.530 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCSC2)c1C 1542033610 DVNDXSDXMXNCEW-FPOVZHCZSA-N 439.629 4.918 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cccc(Br)c1 1542501012 CKFRHFNUFDBSDM-QAPCUYQASA-N 439.394 4.746 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(C)C)CC2)n1 1543084589 CHMRTQSLEHBSSW-UHFFFAOYSA-N 431.588 4.593 30 10 IJEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)Nc1cc(C)ccc1C 1548414251 IFAMMEIOXMLBNN-MJGOQNOKSA-N 431.458 4.531 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3c3ccccc3)ccc2c1=O 1557137037 DZENTMPZWBTFCD-UGKGYDQZSA-N 433.577 4.670 30 10 IJEE N#C[C@H]1CCC[C@H](OC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1583559152 GCYLOCRQHZJCKU-AAEUAGOBSA-N 425.325 4.808 30 10 IJEE C#C[C@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccc(Br)cc1 1584707726 DPKMTQIVNIUKJD-HNNXBMFYSA-N 446.194 4.756 30 10 IJEE C#Cc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3cc(Br)ccc32)cc1 1586930696 GISYEIHENSXUCG-SFHVURJKSA-N 440.337 4.906 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cccnc2C(=O)OC(C)(C)C)s1 1587166065 KMIQGQCZIGZRJY-UHFFFAOYSA-N 439.990 4.828 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@H]1OC 1587561618 FTYDXYLLOHQCGJ-CTAFRAEOSA-N 445.007 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(N(C)C)CCCCC1 1587677321 FXOXJXXEMMRVKV-FQEVSTJZSA-N 425.646 4.601 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCC[C@@H](O)C1 1588288693 IIGRHUMZTATFJS-YLJYHZDGSA-N 438.572 4.823 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCc2cc(Br)ccc2C1 1589069256 JKPWISKYMLTIRN-UHFFFAOYSA-N 447.446 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](OC)C(C)C 1589164660 XQWZJTWHAQBDOE-WIYYLYMNSA-N 449.368 4.510 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1589316465 CAYZUMCQYFXYEE-ZWKOTPCHSA-N 446.418 4.836 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1589459897 GHHMQPOELUSSDA-PQEBFOHHSA-N 425.415 4.730 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1593643338 XNGXOLWPZAKCMH-GOSISDBHSA-N 425.577 4.529 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1593788699 CQCVAQSCNXPNTQ-GOSISDBHSA-N 433.522 4.722 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 1594559595 NGIYNFASLGBASB-UXHICEINSA-N 447.624 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CCCO1 1595148896 BPCUHIXBJOQGNE-OAQYLSRUSA-N 429.977 4.817 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1595501304 PCWIBIHJPMQCKQ-PZJWPPBQSA-N 435.616 4.561 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CC(C)(C)c2ccccc2F)n1 1612192946 BWSUWEPXOZSIJB-UHFFFAOYSA-N 432.547 4.896 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 1629139260 GTHBLUYOXMNJCV-CQGGRAHPSA-N 443.009 4.708 30 10 IJEE CCCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1C[C@@H](OCC)C12CCCC2 1629482996 FGQGTSQYUFBDMY-FGZHOGPDSA-N 425.573 4.643 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCCC[C@@H]3/C=C/c3ccccc3)ccc2c1=O 1630404370 ULDAYNPUTWJAAG-ZISLFAKRSA-N 445.588 4.969 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OCC(F)(F)F 1631002978 LWVGJWDKBXCJIP-AWEZNQCLSA-N 436.858 4.911 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1 1631051709 ATKRZGXWWMCPEE-UHFFFAOYSA-N 436.726 4.507 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC(n2cc(-c3ccc(OCC)cc3)nn2)C1)c1ccccc1 1633418684 WBOGDUOVYDOLAA-HSZRJFAPSA-N 431.540 4.618 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 1634224712 CTDHWSVXFJFEPE-UHFFFAOYSA-N 431.414 4.939 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814415 SVHQBIRFCHKXPU-LJQANCHMSA-N 442.600 4.613 30 10 IJEE C#C[C@@H](NC(=O)CCN(C)C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1638916665 HMTPNQUUZAYIMG-AREMUKBSSA-N 438.527 4.748 30 10 IJEE C=CCC[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)C(=O)OCC 1640863314 HEQRYUPOOGNZNP-GFCCVEGCSA-N 430.751 4.945 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 1642540818 MUTOTSMQACBUHW-IYZJKTGWSA-N 444.641 4.859 30 10 IJEE Cc1ccc(-n2c(SC[C@H](O)CC#N)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1C 1643437955 FHBOVEMSONFLJN-CXAGYDPISA-N 439.606 4.556 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(Cl)cc1OC(C)C 1651129529 BEFQGVMPQCGBHZ-UHFFFAOYSA-N 425.916 4.808 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@@H]21 1651405104 PYJDSDJKIDWGKQ-LSTHTHJFSA-N 447.170 4.652 30 10 IJEE CC(C)(CCN1CCCCCC1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1660157411 DFDYBHMDAOOBOC-UHFFFAOYSA-N 428.968 4.564 30 10 IJEE COC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccc(C(F)(F)F)c1 1660186234 CCTNKFQVNBSPOZ-AWEZNQCLSA-N 445.356 4.529 30 10 IJEE Cc1cc(Br)c(Cl)cc1S(=O)(=O)N[C@@H](CCC#N)c1ccccc1 1661009183 FDCWEMQTECIBFD-INIZCTEOSA-N 427.751 4.734 30 10 IJEE N#Cc1c(F)cccc1S(=O)(=O)NC1(c2noc(C3CCCCC3)n2)CCCCCC1 1662865428 GJPQIPTUHAQASP-UHFFFAOYSA-N 446.548 4.656 30 10 IJEE C=C1CCC(CNS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CC1 1664089031 ZLASWAWRCYJTKO-UHFFFAOYSA-N 427.389 4.597 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(Cc3c(C)noc3C)Cc3c(C)noc3C)cc2n1 1664850179 PBXXCEOZVSXRQG-UHFFFAOYSA-N 434.500 4.666 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2)C2CCCCC2)cc1 1665968565 CNYSAYLXMDMFEO-UHFFFAOYSA-N 441.597 4.860 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCc2c(Cl)ccc(Br)c2C1 1668990462 JMPYHORTDZOCOM-UHFFFAOYSA-N 437.696 4.844 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)Nc3ccc4cc(Br)ccc4c3)CC2)cc1 1669209267 AVWJJRPOVUAEJF-UHFFFAOYSA-N 449.352 4.824 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccccc1 1670774931 GNVXYGAMCYCGSW-OAHLLOKOSA-N 439.428 4.921 30 10 IJEE C#C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1ccc(Cl)cc1 1674020063 BFDHSSHNXCZITP-HXUWFJFHSA-N 448.792 4.550 30 10 IJEE CC[C@H](COCC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1674171374 CHWGJDMUXAIWMP-MRXNPFEDSA-N 439.409 4.755 30 10 IJEE C#Cc1ccc(NC(=O)NCCOc2ccc(Br)cc2C(F)(F)F)cc1 1675409327 LQKZLYMXCLHXJU-UHFFFAOYSA-N 427.220 4.650 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 1678356344 RWPZOCPSPXPVFG-KRWDZBQOSA-N 444.373 4.925 30 10 IJEE C#CCN(C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1)[C@@H]1CCCc2ccccc21 1678504781 OKKZUGYVFBPXEP-DHIUTWEWSA-N 449.620 4.524 30 10 IJEE C[C@](Cc1ccccc1)(NC(=O)Nc1ccc(Br)c(C#N)n1)c1ccccc1 1679661231 HFBHOXOJYGCELL-JOCHJYFZSA-N 435.325 4.995 30 10 IJEE C[C@@H]1C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@@H](c2ccccc2)C1 1681580590 HDAITHPWBZDQOK-YWZDVAJHSA-N 432.568 4.915 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1681894407 GKBCRKNGWRVTOM-UHFFFAOYSA-N 439.522 4.820 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 1682350741 HOBQFBJUPAJEJS-DEOSSOPVSA-N 428.511 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccccn1 1689828432 NYRHXZXREHDUFC-RBUKOAKNSA-N 437.975 4.784 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCSC1 1690067532 ASCYGQVEYBOLIC-FQEVSTJZSA-N 426.630 4.973 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1690227745 GJNOHMWOUGAHJN-ZFWWWQNUSA-N 441.320 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1690253336 OYVBIHVNMHNGEG-IDVKNYFZSA-N 430.980 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)c1cccs1 1690267002 QBXSYSCBDDUBOE-QFIPXVFZSA-N 432.540 4.519 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 1690398850 IETOZRUMUCDVBP-KNQAVFIVSA-N 438.563 4.547 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](OC)[C@H](C)CC)CC1 1690402842 RPBUQXORHXRWPT-WZONZLPQSA-N 434.588 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690435789 GNXGDMOXNIBCGC-OAQYLSRUSA-N 443.680 4.992 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1690453335 ACTMKHCPDKBCNQ-VQTJNVASSA-N 439.560 4.853 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1690502791 GWSMDWHVTGDJLD-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@](C)(O)c1cc(C)oc1C 1690563244 LAVNLEFHGOLEEJ-SANMLTNESA-N 445.567 4.594 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1690736667 LQNFCMJYNKKGCK-SFTDATJTSA-N 437.613 4.520 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1692346345 BRADJRKPQBOTLI-CLOONOSVSA-N 434.588 4.744 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H](C)c2c(C)noc2C)c1 1692974146 GSFJXVYSLHAWQA-SFHVURJKSA-N 448.571 4.622 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H]1CCO[C@@H](C)C1 1705577419 ZOGZZGJERMVSHP-DLBZAZTESA-N 431.367 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1Cc1ccc(N2CCCCCC2)nc1 1705609092 PWGCAQRAOJOSDH-UHFFFAOYSA-N 428.584 4.537 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCOC(C)(C)C 1705694449 BHTMTINPVHDMCA-DENIHFKCSA-N 438.572 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(C)(C)C)C1 1705694745 DYCBQKKHZFYKCA-ZJOUEHCJSA-N 439.560 4.707 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1705768358 QCBFPOMLLFGMNA-HNNXBMFYSA-N 438.906 4.632 30 10 IJEE C=CC1CCN(c2nnc(C3CC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705780467 OMSOUXRDBOFPHF-HXUWFJFHSA-N 429.609 4.738 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1 1705806292 ATOUJZAVOAHGLD-IBGZPJMESA-N 443.592 4.978 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1705806684 JXQADCUVGLTFNB-UHFFFAOYSA-N 427.618 4.671 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1705864523 DXFQGQBAXTYNJS-YMPZKCBVSA-N 442.579 4.913 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCO[C@@H]2CCCC[C@H]2C)C1 1705916579 LOHADRANUSQHJE-STZQEDGTSA-N 445.007 4.975 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(CC)CCOCC2)C1 1705916779 NKABKMBMFBHSKC-FQEVSTJZSA-N 430.980 4.587 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CC(F)(F)C1 1706070109 GYKQLLLWRBJCFP-INIZCTEOSA-N 441.482 4.758 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1708704417 HEQHNSGOPUCTKL-JFIYKMOQSA-N 442.995 4.564 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2scnc2C)s1 1708930875 DWKBNMBJXSKHMW-UHFFFAOYSA-N 434.594 4.890 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1722311592 YFGNEJQHQUULAN-QFIPXVFZSA-N 443.389 4.518 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCSC1 1722422873 VQWWXMCRUFAYOS-FQEVSTJZSA-N 435.572 4.571 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CCSC 1722452198 MPLHAWMLAGCHEF-SFHVURJKSA-N 439.654 4.746 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)CCCCc1ccccc1 1722488270 DZCUIRPHBQXEHG-UHFFFAOYSA-N 440.389 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C[C@@H](C)CC 1722492637 GDXNCABRJISSIH-CUWPLCDZSA-N 427.549 4.707 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1722521255 IZLIGTPNQKYYAY-UHFFFAOYSA-N 434.563 4.798 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722525672 GTIAAODISBEBRZ-CVEARBPZSA-N 443.514 4.705 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722531167 ORDJNWSBMXUDCS-ICSRJNTNSA-N 428.577 4.570 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CC)C1)c1ccccc1 1722593986 DGDYWFOTWDCFAX-TZIWHRDSSA-N 430.556 4.522 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722601863 YECCOOPSZMFILH-XUVXKRRUSA-N 445.405 4.783 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1722617883 UIIXBEWYEZLYQJ-UHFFFAOYSA-N 439.510 4.556 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(C)cc1C 1722633769 XKXHXOKSRLSZPY-UHFFFAOYSA-N 428.378 4.528 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@](C)(CC)O1 1722652566 IPAIFBKRZCCLIJ-NVQXNPDNSA-N 449.599 4.833 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1Cc1ccccc1Cl 1722673833 FXAODQISLQTJIM-UHFFFAOYSA-N 433.943 4.794 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(c2nccs2)CC1 1722741551 PDTFUZSDFDQTPC-UHFFFAOYSA-N 443.617 4.768 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722742975 MGACRWCKFCJMMV-HXUWFJFHSA-N 448.583 4.956 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1722743212 UUGIXGRDQGROBU-FQEVSTJZSA-N 426.630 4.835 30 10 IJEE Cc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)c2nccs2)sc1C 1724088003 GWJPASYSMPVYRU-CQSZACIVSA-N 449.609 4.635 30 10 IJEE CCCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@@H](C)CC#N)CC1 1727969417 BLNOYBBBTIRHEY-SFHVURJKSA-N 444.624 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC1CCC(F)(F)CC1 1740651736 LFXXFKPFIGAJSN-UHFFFAOYSA-N 433.506 4.782 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)Cc1cccs1 1740654368 LVGCDVWQLQYDQO-GOSISDBHSA-N 438.547 4.550 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CC(C)C)C1 1740708948 GRQLIZNHCQCGSP-RBUKOAKNSA-N 430.593 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccncc1Cl 1740724748 ICZJRDZYLRIDMF-WAIKUNEKSA-N 439.922 4.646 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1740780376 MJWNGWSNRMBYLD-ROUUACIJSA-N 429.996 4.696 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1740781891 JGEMYRZZPXJXKV-LJQANCHMSA-N 434.588 4.684 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740784335 AMTKLYNVTHTDLG-UHFFFAOYSA-N 427.499 4.711 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC=C(Br)C1 1740860958 WHZSVSLGKVPYJK-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1CCN(CCC)CC1 1740869534 QHORRQINOOCOPW-UHFFFAOYSA-N 432.012 4.884 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)C1CCCCC1 1740894416 SLZBMGUUAJMEIV-QFIPXVFZSA-N 447.421 4.970 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740944414 HKKHTBRJZHEFOH-PXAZEXFGSA-N 437.769 4.551 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CC)CC1 1745847999 BVIMVVYJOYVHAW-NRFANRHFSA-N 439.604 4.950 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCSC(C)(C)C1 1748740101 NUVLKVMQRWXONH-UHFFFAOYSA-N 436.581 4.862 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(O)cc1 1748882594 YBTYEQINMOOMOD-LJQANCHMSA-N 444.604 4.543 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1sccc1Br 1748917553 CVMOZZKODIFLOL-UHFFFAOYSA-N 429.387 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(c2ncc(C)s2)CC1 1749119277 PSCLFKFZWDXMRM-UXPWSPDFSA-N 429.634 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C(C)C)N1CCCC1 1749171525 XHRGRZWJWQYOSD-YPAWHYETSA-N 431.669 4.720 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1749236035 ZHMYRUMKLDQTCI-UHFFFAOYSA-N 442.629 4.764 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1749276955 VJZLEGFIAQBHDJ-UHFFFAOYSA-N 435.931 4.834 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(OC(C)(C)C)CC2)cc1 1749683708 DBTOJICEMUQRKR-UHFFFAOYSA-N 447.583 4.737 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCOCCCC 1760289160 IVFJUJCMGQDXRP-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@](C)(O)C(C)C 1760291707 ZJJFKLUPLNGEMC-CLJLJLNGSA-N 448.567 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1C(F)(F)F 1760332718 AGZWLWLLFIJWKD-YLJYHZDGSA-N 445.489 4.910 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cc(Br)cs2)CC1 1760386287 RZISQQWNONXFRY-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1760413291 DFIXZQRYXRUPTB-UHFFFAOYSA-N 439.648 4.718 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCS[C@@H](C(C)C)C1)c1ccccc1 1760417877 JTYBMCSVOHZSJQ-RBBKRZOGSA-N 434.613 4.673 30 10 IJEE C=CCCCCCN(C)c1nnc(CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1760418897 AYXVSFJXAQRFNP-LJQANCHMSA-N 431.625 4.813 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C)=C(Br)C1 1760436953 MBZSCELIIALHAB-UHFFFAOYSA-N 445.361 4.562 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCN(C(C)C)CC1 1760436989 NPJZUSZNCOVQPY-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1760442493 CAWRWDJCFNDHQF-IIBYNOLFSA-N 441.576 4.706 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCCC1 1760456459 PHCXVWZVRCQMBY-NRFANRHFSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@H]1CC 1760456873 ZBTGMVQWZRGUHC-FGZHOGPDSA-N 425.621 4.922 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1760476615 AEVAZGZDLSVRDV-HXUWFJFHSA-N 428.024 4.798 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760532211 OCDQKXBUBIKISH-AREMUKBSSA-N 449.599 4.538 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1 1760567117 PSDHUILITLLCEX-AWEZNQCLSA-N 428.499 4.548 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)C1 1766780673 BQKMTLYLHBRIEX-UXHICEINSA-N 436.585 4.580 30 10 IJEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC2CC(OC(C)(C)C)C2)c1 1768775358 GIGJOMCOXURSGH-MPQSDHOMSA-N 425.577 4.533 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)Cc1noc2ccc3ccccc3c12 1859649642 ZNHPFPKSPNGQOI-UHFFFAOYSA-N 444.454 4.768 30 10 IJEE C/C(=N\O)c1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 1860472498 QZRLDFYZDBOGDY-OEXWIMQBSA-N 445.781 4.871 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862396198 FPIXVSYTEOGMDT-QFIPXVFZSA-N 433.504 4.557 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 1862621051 HMTYKJVELAZNQZ-WAIKUNEKSA-N 427.456 4.755 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 1862736641 LQQCDKRZFINQBF-KSFYIVLOSA-N 428.444 4.934 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)c(C)c2)C1=O 1863260360 MIIUGTGLROBMMC-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CCOc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3[C@@H](C)COC[C@H]3C)n2)cc1 1868518448 RWABHRDNOWNWQE-HDICACEKSA-N 429.524 4.771 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OCC)c2)n(-c2ccccc2Cl)n1 1870004210 ZKIBBLTVMMUAEP-UHFFFAOYSA-N 437.931 4.750 30 10 IJEE CCCCCCCCCCn1cc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)c(O)cc1=O 1870117837 JPCGKGHYKNJBNN-QFIPXVFZSA-N 448.991 4.811 30 10 IJEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN2CCN(CC)CC2)cc1=O 1870413160 UDPABZNGHSPFAU-UHFFFAOYSA-N 439.644 4.692 30 10 IJEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(Cl)c1 1871251072 LTBZHRCLAWVPDN-UHFFFAOYSA-N 437.927 4.601 30 10 IJEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(CCCCCO)CO1 1871352034 MJUZDCWYQWTHFI-JMIUGGIZSA-N 434.319 4.924 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 1871421210 WARGRJQDWKITJJ-JJFYIABZSA-N 444.443 4.845 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872574651 ANIVDCYVBRQVEP-QHCPKHFHSA-N 444.597 4.605 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccc(Br)cc2)C1=O 1873177445 URKIOEZPUJOPIE-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@H]2SC1(C)C 1873886008 CJMPPAYORFPEMG-SIKLNZKXSA-N 434.602 4.529 30 10 IJEE CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc(Br)c1 1874315440 SFCJZAPEZDICLW-KGENOOAVSA-N 431.359 4.656 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C)cc1 1874423921 LVJQLQQZTXEEBR-HZHRSRAPSA-N 441.626 4.938 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccn2C)c1C 1874452141 GBAPHDHIKNMUEZ-ZVHZXABRSA-N 436.585 4.504 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(F)cc1 1874478331 ZTRUQXKUEMTBNH-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874535733 UHQKNWBUZRWBRY-HJQVIKLGSA-N 448.379 4.745 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)c1 1874596855 GRYUMHRABBVPEW-FMIVXFBMSA-N 447.487 4.626 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)cc1 1874694870 YRWKKJCAMJQBLK-NTUHNPAUSA-N 448.471 4.593 30 10 IJEE COCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2C)c(Br)cc1OC 1874702132 IOLIWYQLNVFVHD-SOFGYWHQSA-N 447.325 4.913 30 10 IJEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OC 1875145406 KTSRCXFBPKYLEJ-PKNBQFBNSA-N 428.481 4.713 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1[N+](=O)[O-] 1875146759 IGFFTANCOLYYSI-BJMVGYQFSA-N 445.427 4.790 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150079 WOFNPWMIZLYHAN-YCRREMRBSA-N 438.382 4.574 30 10 IJEE C=C(F)CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383812 RWHXPKITDZYXLC-FQEVSTJZSA-N 429.513 4.973 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C#N)cc1 1891302746 BAEBSRQSBCTTIN-VQTJNVASSA-N 448.375 4.897 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1F 1926705939 BBDDYNVHVAWYQZ-WMZOPIPTSA-N 427.358 4.854 30 10 IJEE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(C#N)cc1F 1951721763 MMSIFDNMFLIXCO-RUZDIDTESA-N 430.435 4.536 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCCC[C@@H]1C#N 1984694339 JGJSUDXIZXHRDL-AYCKEJKLSA-N 445.563 4.748 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H](C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 1991583897 BHNHKTCMBAGDPQ-MOPGFXCFSA-N 425.614 4.615 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(O)CN(Cc2ccccc2)C2(CCCC2)C1 2038675369 XTJUVGUBLQWORJ-IXCJQBJRSA-N 434.624 4.687 30 10 IJEE CC1=CC(=O)[C@@H](C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(=O)O1 2040458663 YYHYZBVZMKVALE-XMMPIXPASA-N 438.439 4.514 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2055774842 MCNVCRZLPNSGQU-VVBPWWLESA-N 448.568 4.852 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(C)c2)C2CCC2)c(I)c1/C=N/O 2079089734 GQWHVOFOICZMLE-NIQDBXHUSA-N 437.325 4.865 30 10 IJEE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079959885 YTTOMAAYVODDHZ-SFHVURJKSA-N 435.309 4.805 30 10 IJEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(c2ccc(C#N)c(Br)c2F)C1 2118200353 DOKAVHFNBHHZOJ-TZMCWYRMSA-N 426.330 4.589 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCCC 2126701359 YZKNICOWAVEGQZ-CVEARBPZSA-N 433.337 4.717 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](Nc2cc(Br)cc(F)c2C#N)C1(C)C 2127897978 NPYBHYHYMAPJNE-ZBEGNZNMSA-N 426.330 4.811 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 2159126015 QRKXZBVYTKAORN-CVEARBPZSA-N 445.348 4.555 30 10 IJEE NC1CCC(C#Cc2sc(Br)c(Br)c2Br)CC1 2216398501 ZXGRERCCPAVZOB-UHFFFAOYSA-N 442.014 4.905 30 10 IJEE N#Cc1cccc(Br)c1N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2248979353 QZHMPRCDOBWTGW-HNNXBMFYSA-N 442.235 4.590 30 10 IJEE Cc1ccc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OC(C)(C)C 2268639069 MDNJTMMRBCDPBO-GOSISDBHSA-N 442.365 4.792 30 10 IJEE C=C([C@H](NCCC)C1(O)CCC(C)(NC(=O)OCc2ccccc2)CC1)[Si](C)(C)C 2287027150 RLZJZTUYVTXYHF-KHRZNOOSSA-N 432.681 4.778 30 10 IJEE CO[C@@H](CSc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)CC(C)(C)C 2287222689 QUXLKPZZFWVKPQ-CQSZACIVSA-N 444.244 4.687 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H](C)C1 2296267697 WGYNRIRGXCCHNQ-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296294499 VAJDOCUYJHAAQK-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2296296393 NGKHLTDSDWRZHS-OALUTQOASA-N 435.406 4.814 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1 2296573985 QVAWUGQAMPNHQP-FQEVSTJZSA-N 438.867 4.661 30 10 IJEE O=C1ON=C(c2cccc(I)c2)C1=Cc1ccc(Cl)cc1Cl 2297504543 GLUXBVMSDOJSMW-UHFFFAOYSA-N 444.055 4.943 30 10 IJEE COc1ccc2c(c1)OC(=Cc1ccccc1OC(=O)c1c(OC)cccc1OC)C2=O 2314527026 AYDUIPWULRVRPR-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317347916 FORKSMNSSCSNBM-XNVVNFSMSA-N 429.370 4.584 30 10 IJEE COc1cc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)ccc1OCc1ccccc1 2323540661 HFZKWOGHINGHRA-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)cc(C)c3C2=O)cc1 2323627503 HCKAQTBADRFOBN-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)NC1CCCCC1 2323743575 IPTCSHZQVOJFMR-UHFFFAOYSA-N 429.463 4.697 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2324081066 XONBXDAQAOYTMH-UHFFFAOYSA-N 426.310 4.945 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325571556 BEPWHYCMEFTUOP-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)cc1OC 2325739995 MVUBHVVFLNISKP-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE Cc1cc(C)cc(CSc2nnc(C)n2N=Cc2cc(Br)ccc2O)c1 2326398517 MJYMRMFJQKBQBD-UHFFFAOYSA-N 431.359 4.846 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(F)cc1 2326878870 FMSORQLIFMBKOY-UHFFFAOYSA-N 430.505 4.702 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(O)cc1O 2327365948 LXQDZDIIPPZPRC-UHFFFAOYSA-N 438.553 4.771 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2N=Cc2cccc3ccccc23)cc1C 2328977655 AWPCBQCNMBVXDG-UHFFFAOYSA-N 430.577 4.800 30 10 IJEE C=CCOc1ccccc1C=Nn1c(Cc2ccc(OC)cc2)nnc1SCC(=C)C 2329272064 ZMKYQLLCXJLJKV-UHFFFAOYSA-N 434.565 4.993 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)ccc1O 2330910671 JXVPCZJLQZDVTE-LJQANCHMSA-N 442.516 4.548 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cc(C)ccc2O)c1 2331040633 RHCDNZLAYBMKTL-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE COCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2331319463 WBNBNUWDHVXCBF-UHFFFAOYSA-N 447.967 4.500 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2F)c1 2331437687 CGMWKXVXVIXYHH-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1ccc(F)c(F)c1 2331558833 HSSFWFKTVICBGU-LJQANCHMSA-N 437.236 4.708 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)c(OC)c1 2331717132 UUFFZVLIFBSSOW-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE C[C@@H]1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339583240 VPISRLKPNLSBIC-ASLVEYIASA-N 444.381 4.893 30 10 IJEE C#CCCCCCCC(=O)Nc1ccc(I)c(Br)c1 2352955176 LEEBQWRNTZVLAA-UHFFFAOYSA-N 434.115 4.966 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2ccc(OC)cc2)=C(/S)NCCc2ccccc2)cc1 22791410 GRKRVLNFUWPBSX-UHFFFAOYSA-O 433.597 4.706 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccco1 28503560 CAEFXANHLKDKOJ-GFCCVEGCSA-N 433.331 4.606 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1cccc(Br)c1 39912069 YAUQLFCTTAWJKS-HXUWFJFHSA-N 438.325 4.893 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(N(C)C)cc1 40078307 SITCWRURZMMQKS-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 41663210 LXQZFYYDRQPGCI-UCQKPKSFSA-N 432.545 4.825 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)c(Br)cc1O 63556634 SAUQHQMONRIVFX-MDZDMXLPSA-N 427.298 4.862 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3ccc(C)c(F)c3)S2(=O)=O)cc1 105336384 DIOSYVZIEZTQOO-UDWIEESQSA-N 442.537 4.990 30 10 IJEE CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 105615550 NRUURLPHPHXFAA-LJQANCHMSA-N 445.972 4.709 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1cccc(F)c1 169940303 WHPHZISTBGVQSN-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)cc2)cc1 169959018 NJVKYJXEEGUCPF-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCC(C)CC2)C1=O 170051488 UEPSMKQHOQZPJM-UHFFFAOYSA-N 439.600 4.817 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccc(O)c2)cc1C 170080785 CSYGLXZQUVBMNA-QHCPKHFHSA-N 443.455 4.521 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1OC(C)C 170151403 DBAHTXOLZGLWMK-QMHKHESXSA-N 435.520 4.786 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)c1 170179353 NSHSPFVHXQQQNB-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1ccc(F)cc1 170243774 KEPBNYDNDRKHPX-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170261615 KYZGWBXLYCOGNR-XMMPIXPASA-N 436.467 4.719 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cn(C)c2ccccc12 170269704 SWTVLQVHCQLYKS-JOCHJYFZSA-N 444.487 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)c(C)c1 170271698 DNOIEJXFGGHSJX-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccco1 170297337 NWNFPTPHCDEBPC-HXUWFJFHSA-N 443.459 4.564 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C[C@H]2CCCO2)o1 170306752 UEXXFTFLRIYJRK-XMSQKQJNSA-N 437.536 4.951 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccncc1 170317189 WQUMCCXRRTWZRY-HXUWFJFHSA-N 430.485 4.976 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 170338618 WITMMHAIKBKGJK-JOCHJYFZSA-N 432.476 4.527 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)cc1 170426186 JLSDJAJQDZJCBZ-GOSISDBHSA-N 435.398 4.719 30 10 IJEE CCCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(OCC)cc1 252628525 SSEZGAPPASYUHX-AMMNAMIQSA-N 427.482 4.713 30 10 IJEE C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc2ccccc2c1 253576822 WHWRIBDVZQVCII-UHFFFAOYSA-N 440.572 4.961 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccncc1 438817278 FAVITGMGPQWBDY-MRXNPFEDSA-N 435.336 4.839 30 10 IJEE N#CC1CCC(CNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)CC1 441146554 NMTYRALNZVPIDH-UHFFFAOYSA-N 440.341 4.761 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(c2nnc3ccccn23)CC1 460784839 UGEVLOINOCLZJL-UHFFFAOYSA-N 427.556 4.510 30 10 IJEE C=CCOc1cccc(NC(=O)N(CCOC)Cc2sccc2Br)c1 483864320 OLXVEVKZVCAXAX-UHFFFAOYSA-N 425.348 4.756 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)cc1 519456399 GLIWGROZNUTFDR-JWNTYJGQSA-N 434.536 4.858 30 10 IJEE Cc1nc(C2(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)CCCCCC2)no1 522306804 LADJOWBIZZWLIU-UHFFFAOYSA-N 430.508 4.808 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 549219041 JXAITGNYNUHSGT-QHCPKHFHSA-N 435.616 4.625 30 10 IJEE C=C(CC(=O)c1ccc(Cl)s1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585826026 NQOITELRFRWOJR-UHFFFAOYSA-N 446.016 4.974 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3cccc(OC)c3)C2)c1 585993387 KYDOCRWDCLTIIK-JOCHJYFZSA-N 435.568 4.567 30 10 IJEE C=C(C)CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586135008 GKBHUWBFYCMCEC-UHFFFAOYSA-N 444.380 4.820 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 735310119 QCZPMUBNKLJZFG-MRXNPFEDSA-N 426.879 4.811 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ncoc1-c1ccccc1Cl 745406317 XCBOBFSSQQWRNI-CQSZACIVSA-N 430.913 4.817 30 10 IJEE C=CCOc1c(Br)cc(CN2CCC[C@](CO)(c3ccccc3)C2)cc1OC 802655544 ABGKHLZFGLBNJG-QHCPKHFHSA-N 446.385 4.549 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 812185838 DEMIUBOUYNBORV-OFNKIYASSA-N 445.567 4.663 30 10 IJEE C#C[C@@H](NC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)c1ccc(F)cc1 816781483 LWFGFWCWMHCEGM-HXUWFJFHSA-N 448.307 4.557 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1 1116572808 ZOCZUOMPQTZVMR-RTWAWAEBSA-N 434.458 4.790 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1124709231 BBADWXVJQMXIKP-XMMPIXPASA-N 429.561 4.956 30 10 IJEE C=CCCC[C@H](C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21)c1ccccc1 1126543292 BICFDEOFLYAMEH-QHCPKHFHSA-N 438.593 4.500 30 10 IJEE C=CCN(C(=O)c1cc(Br)ccc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1128003431 OJZPHJNKYNSEIR-FQEVSTJZSA-N 430.342 4.560 30 10 IJEE Cc1cc2nc(C)c(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)C)C4)c(C)n2n1 1129397185 FKVQVQBWYBNEAD-QGZVFWFLSA-N 435.597 4.920 30 10 IJEE CCNc1ccc(C#N)cc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 1137525736 FZQDKEHUAWTZCF-UHFFFAOYSA-N 429.249 4.799 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 1143422307 BXIXFFMMQXZXRP-HXUWFJFHSA-N 439.581 4.556 30 10 IJEE C=C(CC(C)C)C(=O)NC1(c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1153879017 AJKYYLLMQBRDCM-UHFFFAOYSA-N 437.378 4.614 30 10 IJEE C[C@H](Cc1c(Cl)cccc1Cl)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1188757783 GDCSZPVEOKDWTF-SNVBAGLBSA-N 437.270 4.793 30 10 IJEE C=CCn1c(SCCc2ccc3c(c2)OC(F)(F)O3)nnc1-c1cccc(OC)c1 1188899487 QKPKMQDVLLXANW-UHFFFAOYSA-N 431.464 4.796 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)cc1 1198701284 XTENZGLCUZKYGE-UHFFFAOYSA-N 447.510 4.685 30 10 IJEE O=S(=O)(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F 1211304121 GGQWREIULXACLG-HNNXBMFYSA-N 429.357 4.687 30 10 IJEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccco2)c1)[C@H]1CCCc2ccccc21 1222332830 LOABFZUBKPJKOI-QHCPKHFHSA-N 427.504 4.754 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1234502069 DDELKBWFGPBVJN-NRFANRHFSA-N 433.552 4.760 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1OC 1264055312 WADHSJLYAPGYGW-VZUCSPMQSA-N 435.261 4.517 30 10 IJEE C#CCCCCC(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1264110979 STIVUXNSKPADIG-JPYJTQIMSA-N 447.984 4.827 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)C[C@H](C)O[C@H]2C 1269568041 HZWOIKLXOMFVJF-STQMWFEESA-N 442.537 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCN1C1CCCCC1 1286301418 KPAAFALIZCRLEO-UPVQGACJSA-N 449.643 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)c1cccs1 1286573687 OOIWUEJRUGQXPV-DEOSSOPVSA-N 449.580 4.972 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1286625266 COELWQYEPDJBGP-QFIPXVFZSA-N 434.968 4.500 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286649078 IVEPPQNCMFORMB-CJFMBICVSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2cccc(OC)c2)CC1 1286670541 JZNPEFFVDJITCZ-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 1286679646 SBFLUGIDSZKXKB-GOSISDBHSA-N 445.489 4.527 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1)c1ccccc1 1286680069 AIEVBEZGNPOJAM-PWIZWCRZSA-N 434.506 4.747 30 10 IJEE C=CCCCCn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nnc1C(C)(C)C 1286691987 WSNVWQXCJNFZSI-UHFFFAOYSA-N 447.986 4.687 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1286740711 VDMLLHALVWJHSO-XUZZJYLKSA-N 449.599 4.546 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1286752652 CMPSOZYKLAOXRB-OAQYLSRUSA-N 435.616 4.680 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)c(Cl)c2)C1 1286805746 SDAFXYKDESJYFW-INIZCTEOSA-N 448.329 4.616 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1291085502 CFGXPHJCEHAQSK-WVBUVRCRSA-N 431.943 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCC[C@@H]1CC 1300284256 QQMMNKJURAHSTN-ZJOUEHCJSA-N 439.673 4.854 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(Br)s1 1300399954 ASHMABCPBGENIS-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCSC2)C1 1301169616 CWBCDTNGNQEQLG-DEOSSOPVSA-N 439.629 4.837 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1301251962 KFLXSOQORJFNST-QFIPXVFZSA-N 437.632 4.629 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccccc1F)C1CC1 1301317774 YSWSJGQJROFXPI-HNNXBMFYSA-N 427.911 4.755 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1 1301358349 ZQDGDNSPYJKPQH-XMMPIXPASA-N 445.548 4.572 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(=O)OC 1303687470 QOKXCQYHEOOJEU-QUCCMNQESA-N 446.341 4.583 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CCCC3)C(=O)OC 1307259836 XTGBJYJKIFQGRP-QGZVFWFLSA-N 440.590 4.763 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 1310862151 DVZRGHBNFWTUCU-IAGOWNOFSA-N 443.345 4.600 30 10 IJEE CSC1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 1316410998 CCNDHDHTEIQOMO-UHFFFAOYSA-N 434.034 4.859 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1350985370 HLUJBRYNYXSHTC-UHFFFAOYSA-N 440.609 4.871 30 10 IJEE C=CCOCCCC(=O)Nc1cc(-c2cccc(Br)c2)sc1C(=O)OC 1355891223 IGLSSACSVSNDKQ-UHFFFAOYSA-N 438.343 4.886 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cn2)cc1 1357631769 QIKLOABMGQYSHW-UHFFFAOYSA-N 427.504 4.727 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1358890732 UXPSKTBCPJGYPP-FPXQBCRKSA-N 434.462 4.542 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1358922151 VLYAXLVOSOTECL-GOSISDBHSA-N 436.453 4.832 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(Cc1ccco1)Cc1cccs1 1358932582 PHIUPLHAQIJZGE-UHFFFAOYSA-N 437.594 4.909 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2c(CC)cccc12 1358954283 BQJNZSQJYUYFEL-FYYLOGMGSA-N 433.600 4.553 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC(F)(F)C1 1359119356 NAIYZSNBRRNELR-UHFFFAOYSA-N 429.284 4.904 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCSC2)CC1 1359161041 NQANLXIHKGZLHA-CQSZACIVSA-N 437.382 4.756 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1359198096 HYNJQVMOXIJKMA-QGZVFWFLSA-N 447.986 4.903 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccnc(SC)c1)C1CC1 1359246707 JAZXJXXSTHCSCE-MRXNPFEDSA-N 439.560 4.877 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC=C(Br)C1 1359285079 DJZUBYCPGOTPIT-UHFFFAOYSA-N 438.167 4.691 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1359343328 QTDAJFKFWVXZIT-QFIPXVFZSA-N 446.636 4.875 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1359344074 KSYVBYXMVFRRAD-LJQANCHMSA-N 439.000 4.766 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C2CC2)C1 1359346578 OUTLXLNSKWCNDY-MOPGFXCFSA-N 447.649 4.506 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(c3ccc(OC)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1361137456 BVOMINVEKAEHTR-VWLOTQADSA-N 428.573 4.747 30 10 IJEE C#CCN(C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12)c1nccs1 1435399304 ROJJKNDILBACMI-UHFFFAOYSA-N 442.422 4.954 30 10 IJEE C=C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)c1ccccc1 1437644337 NIMAMEIBFOXOGJ-HOYKHHGWSA-N 433.529 4.911 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)[nH]c2C)nc2sc3c(c2c1=O)CCCCC3 1458732520 RHJQYLPCNJCDDL-UHFFFAOYSA-N 427.595 4.833 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2cc(Br)cc(C)c2C1 1459839778 WVGJMUYGUKTDRM-MRXNPFEDSA-N 433.415 4.780 30 10 IJEE C#C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 1463776016 OWYWNTOXSKSXEP-MRXNPFEDSA-N 433.154 4.550 30 10 IJEE COC(=O)c1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)cc1)C2 1465385772 CWQCJUKDAQLCGG-UHFFFAOYSA-N 427.460 4.727 30 10 IJEE C=C[C@H](CC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1465423612 WPHWICOGYLBEEJ-AUUYWEPGSA-N 431.376 4.931 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 1469892140 QXWRSLUABIAOCL-UHFFFAOYSA-N 441.325 4.702 30 10 IJEE N#Cc1ccc(NC(=O)CCN2CCc3cc(Br)cc(F)c3C2)cc1Cl 1473316873 CGEDANRGBUASKZ-UHFFFAOYSA-N 436.712 4.500 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1cc(C(=O)OC)c2n1CCCC2 1474309160 DEUFXGKIQBBBOG-UHFFFAOYSA-N 435.337 4.701 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 1476430130 WDKBPKVXDFTFKI-SFHVURJKSA-N 432.307 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507526089 KUIUKEHMTGBMRV-LPHOPBHVSA-N 445.995 4.606 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@@H]2C1 1507556282 HAKZVMWTWNWZSQ-TZIWHRDSSA-N 442.007 4.550 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@@H](F)C1 1507699324 BONVGVBDQCYDSK-YLJYHZDGSA-N 441.913 4.911 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@@H]1C 1507705642 VJHKSDYEOITXBC-QFBILLFUSA-N 445.405 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCCn1cccn1 1507762932 GBDYVQCFJTUIHO-AREMUKBSSA-N 446.599 4.649 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)CCSC 1507785780 QQTWWSZXTAOMJP-ZDUSSCGKSA-N 445.377 4.634 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCCC2(CCCC2)C1 1507787887 IHAUOJYAIXBCAJ-UHFFFAOYSA-N 436.423 4.703 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1CCc1nnc2n1CCCCC2 1507812481 MKZNAHRUMNELEK-JOCHJYFZSA-N 447.631 4.783 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(OCC)CCCC2)CC1 1507878860 ZPNWFODQUSVOLS-UHFFFAOYSA-N 434.382 4.541 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507914851 PGZDCNYPIKLDSK-QGZVFWFLSA-N 429.634 4.726 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1507915134 SYEYGMCGOJIHNK-IBGZPJMESA-N 425.625 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507919477 NXOVXQUDJYYGJQ-LEWJYISDSA-N 434.632 4.802 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCCO[C@H](c2ccccc2)C1 1507922460 AXLDMFYORNEKTN-QHCPKHFHSA-N 431.584 4.834 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1507957994 NPESHAHAOIPDAD-UHFFFAOYSA-N 446.039 4.749 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@H](O)C1 1508009821 BPTJVKFYRCTGLS-NSHGMRRFSA-N 430.980 4.801 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1sc(C)nc1C 1508028573 UBVIERMLTVIDIB-UHFFFAOYSA-N 434.569 4.598 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC[C@@H](F)C1 1508034095 SZEBTVKIYRKAHE-TZIWHRDSSA-N 426.511 4.974 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CC#N)cc2)[C@H](c2ccccc2Cl)C1 1519093230 APDCZENYHUBBLZ-NRFANRHFSA-N 439.943 4.840 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCSC1)[C@H]1CC[C@@H](C)C1 1519126961 FWJMXWYPCLWIDM-CBQOVEMMSA-N 439.629 4.601 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@H]1C 1519149739 BJNYWKBZIRFRPY-HYBUGGRVSA-N 435.616 4.972 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1N=S(C)(C)=O 1520237041 SBUMJFCFXHYZFE-UHFFFAOYSA-N 439.350 4.776 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1)c1ccccc1 1521660743 HZANTECJAQTNBU-XMMPIXPASA-N 434.584 4.981 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 1523871116 JACSUAQYGZWJOE-UHFFFAOYSA-N 436.552 4.752 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nnn(Cc3ccc(F)cc3F)c2C)c1 1527974571 GQMAVJBOWFEYDA-UHFFFAOYSA-N 448.498 4.803 30 10 IJEE C#C[C@@H](NC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1528087396 CZBXRPZLCGQQHR-RXQFDZFGSA-N 430.298 4.501 30 10 IJEE CCOC(=O)N1[C@@H](C(=O)Nc2cccc(C#N)c2Br)CC[C@@H]1c1ccc(C)o1 1529123953 GOUWXAACAFPAIR-HZPDHXFCSA-N 446.301 4.523 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1CNC(=O)OC(C)(C)C 1532322944 JMORQHDLGFPJKZ-UHFFFAOYSA-N 426.561 4.707 30 10 IJEE CC(C)(C)c1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C(F)(F)F)cc1 1534689406 GGBVRDUBERTZKT-UTKZUKDTSA-N 443.469 4.628 30 10 IJEE C=CCc1ccc(OCC(=O)N(CC)Cc2cc(Br)ccc2F)c(OC)c1 1536693961 BKDQNTOYXKWAEV-UHFFFAOYSA-N 436.321 4.753 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)C3CCCCC3)CC2=O)cc1 1536888981 CCIYOYAQUZNKNK-URXFXBBRSA-N 449.982 4.872 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccnc1 1538656153 IBRZCRXXNNTITR-XMMPIXPASA-N 427.504 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(N(CC)CC)nc1 1538970296 BUMMCYIVHGTNIM-REWPJTCUSA-N 430.600 4.567 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3ccc4scnc4c3s2)CCCN1C(=O)OC(C)(C)C 1539276386 NEWSZCWJTSREHW-NRFANRHFSA-N 442.566 4.638 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCSC1 1539399164 DZKVTZBPLNFMOG-GOSISDBHSA-N 444.670 4.505 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1539587245 AGBCUZWLQOUGFF-HUUCEWRRSA-N 449.393 4.743 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC(C)C 1539625001 XUHOSECCQVHLQO-NFBKMPQASA-N 442.604 4.814 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n(-c2ccc(C#N)cc2)n1 1539917755 GSESZVJGOWODPU-UHFFFAOYSA-N 428.471 4.619 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1539918028 ZJNNRVFCOBXEMV-RBUKOAKNSA-N 429.634 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1539925959 FKOBUHZVZIKPNG-JTHBVZDNSA-N 448.615 4.708 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2ccccc2OC)nnc1[C@@]1(OC(C)C)CCOC1 1540022035 ZKWPWQRCLYZRBR-PXDATVDWSA-N 440.588 4.635 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1coc(-c2cccs2)n1 1540053395 DIWSRJIEUUIGMD-UHFFFAOYSA-N 443.479 4.934 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](CCC)OC 1540056456 HZKUQLBZIXABDW-AWEZNQCLSA-N 427.774 4.798 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1cn2ccccc2n1 1540158786 QUQFLQGJFAMZIE-UHFFFAOYSA-N 448.958 4.676 30 10 IJEE C=CCn1c(CC(C)C)nnc1N1C[C@@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1540858654 ROHXUPFKMITWSG-FPTDNZKUSA-N 447.942 4.759 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1540860281 YHGSGXMDZHYAIJ-GOSISDBHSA-N 449.393 4.590 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC(F)F)C1 1540885236 DWOQHJVVKBABRM-IBGZPJMESA-N 434.531 4.653 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(OC3CCCC3)cc2)n1 1542538837 DLDQQBXKSHBTAI-IBGZPJMESA-N 430.556 4.757 30 10 IJEE C=CC1(CC(=O)N[C@H](c2ccccc2)c2ccccc2OC)CN(C(=O)OC(C)(C)C)C1 1543247999 RHYJUEJYYWSLEQ-HSZRJFAPSA-N 436.552 4.714 30 10 IJEE CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1556401353 GSPDKWVDOCPTAW-UHFFFAOYSA-N 447.970 4.657 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2O)c1 1558713610 VLBKTWMFLHXJIZ-UHFFFAOYSA-N 432.476 4.947 30 10 IJEE CCCNC(=O)Cc1csc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 1563195766 CFWHMKKZLUTTKZ-MRXNPFEDSA-N 447.564 4.633 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N(CCCC)[C@H]3c3ccc(OC)cc3)cc21 1585547409 YUWWFQXMUTZWTR-DHLKQENFSA-N 446.551 4.559 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)C(C)C)ccc2c1=O 1587810579 QCPZJJNNIIQFBJ-IBGZPJMESA-N 427.957 4.652 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc2c(n1)CCCC2 1587946381 ZKACMHSGTWQKEA-UHFFFAOYSA-N 443.595 4.762 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(Cl)cc1 1588105030 IJONEONJQYAYJR-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1scnc1C 1588193754 LDKMUGSFXRNKGM-UHFFFAOYSA-N 449.649 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@](C)(O)CCC 1589242817 KXBRTNKDVVPHQP-CLJLJLNGSA-N 438.616 4.832 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)c1cccs1 1593722362 PDWFIIOGMLMWKX-MRXNPFEDSA-N 426.542 4.525 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@](C)(O)C2CC2)CC1 1594122260 MOPHTTRRNNXEQO-XMMPIXPASA-N 445.007 4.569 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1594591422 VOFYYDYATDQVBE-HXUWFJFHSA-N 434.569 4.516 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1595170867 LIGPFBXWJRPBQZ-PXDATVDWSA-N 426.653 4.695 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1595866936 ZBDYDJLHZWBLDO-UHFFFAOYSA-N 436.629 4.592 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)c1ccccc1 1598122281 OONCOPBBAKOMNA-ZEQRLZLVSA-N 426.988 4.658 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccc(F)cc1 1613279714 MQNHIEALPWDDFN-SFHVURJKSA-N 446.910 4.960 30 10 IJEE C=CCn1c(SCCN2C[C@@H](C)O[C@H](C)C2)nc2sc(-c3ccccc3)cc2c1=O 1613425882 DTIHGHXRQREELY-IAGOWNOFSA-N 441.622 4.512 30 10 IJEE C=CCN(Cc1nnc(-c2cccc(Cl)c2)o1)[C@@H](Cc1ccccc1)C(=O)OCC 1617225342 PKUFXPXKSHGMHC-FQEVSTJZSA-N 425.916 4.552 30 10 IJEE C#C[C@@H](C)NC(=O)c1cc(F)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 1617307229 NGERFZFGPAVBPM-MRXNPFEDSA-N 428.463 4.938 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)c(C(=O)OCC)c2)c1 1621753131 GGSPGIDXHHDYRI-UHFFFAOYSA-N 433.529 4.549 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccc(Cl)cc1F 1622121695 RBXZHLOFCHBKJU-CQSZACIVSA-N 426.218 4.804 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)CC1 1622834927 XWPYURCHEYOBMC-UHFFFAOYSA-N 426.369 4.976 30 10 IJEE N#Cc1ccc(NC(=O)NCc2ccc(Br)c(F)c2)cc1Br 1624633627 AIFQXIMHQFXWIE-UHFFFAOYSA-N 427.071 4.544 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(Br)ccc1OCc1ccccc1 1626364020 AKUOYPWHRAZJOQ-LAUBAEHRSA-N 430.342 4.739 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 1627429296 ALIFQDBOLPOUEX-FWUCURJTSA-N 432.545 4.788 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 1627507320 AINGFCDFQQSWPE-LJQANCHMSA-N 425.326 4.638 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 1629302008 MKMLVPHDCCMSHF-RBUKOAKNSA-N 436.980 4.619 30 10 IJEE C#C[C@@H](NC(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1F 1636567867 ZFICIEZYZSZOCP-MRXNPFEDSA-N 443.828 4.724 30 10 IJEE COC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1SCc1ccc(C#N)cc1)CC2 1637349350 IFGKAEBDKOVPFE-UHFFFAOYSA-N 428.513 4.840 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3cccc(C(F)(F)F)c3)N(C)C)c2c1 1639815678 GBTDBSCERBOFSU-LJQANCHMSA-N 444.457 4.857 30 10 IJEE CCCCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nc2ccccc2c1=O 1640724271 GXUOLNYHFAIINY-UHFFFAOYSA-N 429.549 4.855 30 10 IJEE C=CCn1c(SCC[S@](=O)C(F)(F)F)nc2sc(-c3ccccc3)cc2c1=O 1643604966 ZWIKOVZYPKOLEL-NDEPHWFRSA-N 444.525 4.672 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 1644482747 LZWVFAAWLBXKJE-UHFFFAOYSA-N 427.548 4.917 30 10 IJEE CC1(C)OB(C2CCN(C(=O)Cc3ccc(Br)cc3Cl)CC2)OC1(C)C 1644721524 XXTLNOSHJTZWHW-UHFFFAOYSA-N 442.590 4.730 30 10 IJEE C=C(C)COc1cccc(NCc2cc(I)c(OC)c(OC)c2)c1 1650715703 SXXIVHLVXZNFMU-UHFFFAOYSA-N 439.293 4.875 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)C[C@H](O)c2ccccc2Br)cc1OC 1652671755 PDWZJLANFVKEIR-SFHVURJKSA-N 440.765 4.841 30 10 IJEE N#Cc1ccc([C@H](O)CN(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 1658776686 GFYJNLHSDICRJS-JOCHJYFZSA-N 440.316 4.591 30 10 IJEE C#C[C@H](N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccc(Br)cc1 1659305110 TZPVMGIOKHIGKJ-XEYPJELSSA-N 433.390 4.749 30 10 IJEE CC(C)(C)c1cc(NC(=O)NCCC2Cc3ccccc3C2)n(-c2ccc(C#N)cc2)n1 1661695106 BEJLBARBMUXVEI-UHFFFAOYSA-N 427.552 4.968 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1667925153 GQXSFTJRCIWKOE-TZIWHRDSSA-N 433.637 4.883 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 1668343378 RMQRVGBANPUHGG-HRAATJIYSA-N 447.938 4.627 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1668824983 RUZYBJICQUFNHZ-HXUWFJFHSA-N 431.939 4.508 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CCCC1 1668977767 WKFVETXQBPZZLF-UHFFFAOYSA-N 441.597 4.813 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)c1ccccc1Br 1670753561 UVSFVJZEICMLJR-UHFFFAOYSA-N 426.358 4.996 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(SC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1672025088 HIHZERXSUJEZGK-QGZVFWFLSA-N 431.602 4.514 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC(Cc2ccccc2OC(F)(F)F)C1 1673815796 DIWOKSGZMKDHIV-UHFFFAOYSA-N 433.430 4.950 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)c1 1674519298 XLANYMVFEVCBBS-UHFFFAOYSA-N 441.531 4.632 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Br)cc1OC(F)F 1675028232 ZCAMAJPHUOVJDR-UHFFFAOYSA-N 445.260 4.746 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(Cl)cc1 1677774489 AGNMHJTYGFGNTP-GOSISDBHSA-N 432.833 4.718 30 10 IJEE C=CC[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccncc1 1679333347 FNVYOOVEUBCACZ-FRRDWIJNSA-N 443.338 4.511 30 10 IJEE CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 1681213091 BJAXUQJVGCWZEG-UHFFFAOYSA-N 442.563 4.921 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(Br)cc1)c1ccc(Br)cc1 1682357305 WUFMDJURGYUNMG-QGZVFWFLSA-N 436.147 4.728 30 10 IJEE C=C(Br)CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1683397650 GZRSAPUPQBDDTC-SFHVURJKSA-N 448.361 4.613 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1 1683479535 DYNBFJZUOBYCAK-FPOVZHCZSA-N 429.358 4.752 30 10 IJEE C#CCC1(NC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)CCOCC1 1685446515 QXMHBKGDGYGTGE-AWEZNQCLSA-N 448.386 4.505 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cc(C)ccc12 1689866834 LNRAGUHTSZHBSS-JMUQELJHSA-N 433.600 4.687 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1csc(C)c1 1689972515 RLEJRGNSLSGFTQ-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C)nc1 1690059539 RSEDDXHRBNUTRJ-LJQANCHMSA-N 437.975 4.900 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1 1690161778 PWHRAYIGOCPDEG-KRWDZBQOSA-N 439.654 4.628 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)CC 1690251406 USNBJILEDCOMGH-XMSQKQJNSA-N 432.996 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(-n2cccn2)cc1 1690259579 OGSGDFHDIVYNNU-UHFFFAOYSA-N 447.974 4.824 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(C)o1 1690319811 ZKDUBRQRBKDJSP-FQEVSTJZSA-N 440.519 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCCN(c2nccs2)CC1 1690435824 HKMSLSLKFSQQKO-UHFFFAOYSA-N 428.650 4.786 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1690482947 DZJRPZIGJADKGQ-AVRDEDQJSA-N 445.558 4.647 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCC[C@@](C)(OC)CC2)nnc1C(C)(C)C)C(C)C 1690583455 LMIGWOXPKUCOPF-PXDATVDWSA-N 431.669 4.670 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCO[C@H]1C(=C)C 1690592821 JETOMAOWSIRBFG-REWPJTCUSA-N 431.540 4.760 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)C1 1692486085 HOXPJIXESMNUDU-FQEVSTJZSA-N 434.613 4.635 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2nc(C)c(C)s2)c2ccccc2n1 1692985281 FNPPABLNDOJJIM-OAHLLOKOSA-N 445.596 4.714 30 10 IJEE Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(C)C)s1 1693307004 GCZBCAFGEYHSLF-QGZVFWFLSA-N 438.601 4.780 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@H]1CCO[C@H](C)C1 1705484704 UQMDDDOXARVYOO-HBMCJLEFSA-N 448.567 4.780 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(Cl)s1 1705591886 KUYNJTFWJYLNQL-UHFFFAOYSA-N 446.910 4.773 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1Cl 1705603865 YRKKHBDROWNJFO-IFMALSPDSA-N 439.003 4.556 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1705655984 TVEWCOUAGRGXKA-PXNSSMCTSA-N 433.021 4.606 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccsc1 1705660993 NUSAAUFJFYMYBL-FQEVSTJZSA-N 444.576 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1cccc(OCC)c1OC(F)F 1705666983 LHYQVUNWNDDXTG-QMHKHESXSA-N 432.515 4.832 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)CC1CCC1 1705696839 IMIRQTZJTZGJEI-XXBNENTESA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705723285 JMLLBAJQTBXDQK-FGZHOGPDSA-N 442.604 4.957 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)C1 1705731665 ZXNMAIISZJRIST-IAGOWNOFSA-N 437.009 4.606 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(CCOCC)CC2)CC1 1705761719 XZLIHCOKYSICHC-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705790949 KCNBHZFTRQFELG-HKUYNNGSSA-N 431.625 4.887 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 1705797334 UIBMSQDZDILUQY-IRLDBZIGSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnccn1 1705800676 GFLPIYPZHGHAPQ-UHFFFAOYSA-N 441.377 4.799 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2Cl)CC1 1705807943 TTXJZPHEBXULAR-UHFFFAOYSA-N 436.991 4.600 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1705944935 XISDADCXQFAUIN-UHFFFAOYSA-N 433.503 4.915 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1ncc(C)s1 1722282142 XEVAEMBMOYADHA-WBVHZDCISA-N 430.581 4.828 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1722310973 ARLOHYVGVMGOMH-UHFFFAOYSA-N 433.943 4.796 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCC1CCOCC1 1722325194 GSSAAAZEFFXHNF-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1nc2cc(Cl)ccc2s1 1722397483 QUNJXOOHYSHSSA-UHFFFAOYSA-N 425.989 4.641 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(C)C)CC1 1722455914 OEEGQSJJZITJCP-UHFFFAOYSA-N 433.021 4.846 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)[C@@H]1C 1722456547 WRNNGNIPBPIUFA-UONOGXRCSA-N 441.453 4.949 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC1(SC)CCOCC1 1722471067 QBVYRXUAFVBWCX-OAQYLSRUSA-N 431.005 4.503 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C)c1ccccc1 1722596256 GDBLMKNSFVLLOX-ODAXIHTASA-N 438.616 4.782 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722603326 RVXRBDXACPOJRY-JOCHJYFZSA-N 434.588 4.738 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC2(CCCC2)C1 1722624911 HPVJKGMCGVBWOW-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cscc1C(F)(F)F 1722638361 XWHZVFZQTALAIS-UHFFFAOYSA-N 444.486 4.882 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@H](C)C1 1722655531 GJCPWHSWWDXNPE-TZIWHRDSSA-N 430.556 4.554 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CCc1cccs1 1722661994 DQUSBICOJKJPBG-UHFFFAOYSA-N 438.626 4.698 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCc1nc(C)c(C)s1 1722678960 JIJNOJGBXSEOAU-UHFFFAOYSA-N 431.993 4.553 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1722687469 BWCHQBJGPQRCJX-YOFSQIOKSA-N 429.609 4.564 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCO[C@@H]2C(C)C)c1C 1724058000 DQUJPILJFMFJBD-WRHDZBKDSA-N 439.604 4.834 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(OCC2CC2)c1 1727050358 CQHKCWGXXDHGGG-GOSISDBHSA-N 430.556 4.531 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)SC 1727142865 CZSCWQIVKCROAM-SFTDATJTSA-N 439.629 4.886 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ncc(CC)s1 1740583599 UDPBPRSMZLJINM-UHFFFAOYSA-N 431.512 4.615 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@H]1C 1740721858 WDUCFNIXTAIQRX-RBUKOAKNSA-N 426.630 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1740759673 KGYQXIGPAUNWNC-XQFWAAQXSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cn1 1740769249 HZAGHPMQSJSYCM-UHFFFAOYSA-N 436.354 4.754 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(C)CC2)CC1 1740835216 IYHKOUUJANJOPP-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740851093 QFLJQEYMVSRBPI-OAQYLSRUSA-N 426.580 4.742 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1740862226 NPCYBPYONCIVJH-QHCPKHFHSA-N 433.556 4.591 30 10 IJEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CCc2sccc2C1 1740888563 OXHIGIFTZHUSFL-UHFFFAOYSA-N 438.597 4.691 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=C)Br 1740893090 WZXPBMJRUZFHMK-UHFFFAOYSA-N 430.375 4.908 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@H]1CCCCN1CC 1740916764 XBGSYWJEPQCQMP-XMMPIXPASA-N 432.616 4.874 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCc1cc(F)cc(F)c1 1740936353 QOBZBMWWMNYNMV-UHFFFAOYSA-N 437.494 4.633 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCSC2(C)C)C1 1740977315 FYQUMPBFXZSBTO-DLBZAZTESA-N 433.021 4.912 30 10 IJEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1CCC(F)(F)CC1 1741376421 APEGWLCSQMLQDR-HXUWFJFHSA-N 429.515 4.677 30 10 IJEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CC[C@@H](F)C2)cc1C 1742267782 FWVZWLGXIUZCCK-NHCUHLMSSA-N 425.552 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ncc(CC)s1 1748640978 CDKLFOVPPZRBNB-CABCVRRESA-N 429.977 4.597 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nc(C(C)(C)C)cs1 1748689897 JRVFZFXCVRVICF-MBOZVWFJSA-N 443.661 4.651 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCO[C@@H]1C(C)C 1748775423 LNHCNNKMJPHKOG-SIKLNZKXSA-N 426.630 4.796 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCCC(F)(F)C1 1748836259 SFZFSGHWEBUTMZ-LJQANCHMSA-N 433.506 4.782 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1749083317 DBYOUCJMIBZPQQ-RHSMWYFYSA-N 447.377 4.813 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1749293753 UGMLHUFJZGERRC-SFHVURJKSA-N 436.556 4.899 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSC(CC)(CC)C1 1749425180 XQPFIJZMJOJMAI-UHFFFAOYSA-N 438.601 4.672 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCN1CCC 1749583062 VIJDXAVJQJNZDY-BHDDXSALSA-N 429.653 4.640 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cc(C)on1 1749745753 GSKBFSBROHVJSL-UHFFFAOYSA-N 448.390 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1CCN(CCC(C)C)CC1 1760106737 NQZHXSNARBOUJE-IBGZPJMESA-N 428.024 4.815 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1CCC(F)(F)CC1 1760166217 WCZCBAHPVZCEDW-UHFFFAOYSA-N 441.295 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](CC(C)C)N(C)C 1760290004 UPNVTCKCTBRHOH-WZOHSFFVSA-N 441.595 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1760328453 VXFNYWQVBKRMIN-URFJDIBFSA-N 426.630 4.952 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)CN2CCCCC2)CC1 1760405747 FEFMDMNEJFEKAF-YMPZKCBVSA-N 443.680 4.721 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760412423 KWFUJGYFJLPELF-SFTDATJTSA-N 446.542 4.978 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCOC(C)(C)C 1760413070 XOAAISPRQUPADW-HXUWFJFHSA-N 428.577 4.644 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CNC(C)=O)CC1 1760435034 VIODORUXHXDXJT-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1760442864 WDAWCCDZBKQUTP-ROUUACIJSA-N 431.378 4.821 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760486379 MOVZKXOQRXUBNW-UHFFFAOYSA-N 431.606 4.713 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccncc1Cl 1760486884 CMLLOMMASQNEFD-QGZVFWFLSA-N 429.977 4.523 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC[C@@H](C)C2)C1 1760538035 VJZAMTYONBGDIQ-SVFBPWRDSA-N 440.588 4.570 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCC=CO2)C1 1760547891 UEQSIVZGQFBZQU-OALUTQOASA-N 447.004 4.698 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(c2ccnn2C)CC1 1760561363 YEXPMHDIHWHGNA-UHFFFAOYSA-N 443.020 4.635 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(CC)Cc1ccc(Cl)s1 1760565258 RWCWXFOPIQCOEW-HNNXBMFYSA-N 427.039 4.833 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1Cc1ccc(Cn2cccn2)cc1 1761074855 HFFVOZPRXMXVIT-UHFFFAOYSA-N 433.604 4.635 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(C)s1 1766100741 BACCXIQAFXDSBW-UHFFFAOYSA-N 444.564 4.665 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1770385813 CBMFLMBOZRHQBH-LQWHRVPQSA-N 425.577 4.533 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2ccccn2)C1 1771431167 CBTBFVDCLSZBEQ-OAQYLSRUSA-N 446.624 4.911 30 10 IJEE Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C#Cc1cc(-c2cnn(C)c2)c[nH]c1=N 1857612861 JZKQBPWOWAPASE-UHFFFAOYSA-N 441.922 4.509 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4ccc(F)cc4)cc3)CC2)c1 1860683838 ATTWLOLEWYDIIV-UHFFFAOYSA-N 426.447 4.846 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccn(CC(C)C)c1=O)[C@H](C)CC 1861288459 CGTQIJNCVBUBGZ-FYYLOGMGSA-N 447.664 4.906 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 1861381885 KITBRCLFCRANAM-SANMLTNESA-N 438.616 4.736 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)n(Cc2ccc(Cl)cc2)n1 1862364517 XHKFSDAWLARRFO-UHFFFAOYSA-N 449.938 4.837 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862422021 UYEQTOFXFYLRGJ-LRTDBIEQSA-N 445.462 4.749 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430931 VVLPGUXYBVUXTN-QFIPXVFZSA-N 449.890 4.703 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(Cl)c2)ccc1F 1862503416 XCTIZYIXBUXSQH-FQEVSTJZSA-N 431.891 4.791 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccccc2)ccc1F 1862508160 XYRDIZLZATXXJK-HSZRJFAPSA-N 436.527 4.588 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862531560 QHFQQAYXPRISEW-JOCHJYFZSA-N 449.528 4.803 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(F)cc2)cc1 1862614770 DSGNIQYJJRRRMS-JOCHJYFZSA-N 439.527 4.864 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 1862674215 SXSJYQZNGKMPLE-OAQYLSRUSA-N 429.463 4.750 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1862677223 BGZSBSMIGNAFNS-XMMPIXPASA-N 446.522 4.899 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(Br)c1 1862707784 DRJBYYMQIVRXPQ-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCc2cnc[nH]2)c1 1862712847 BEMKYLVTDCPFJO-XMMPIXPASA-N 437.499 4.692 30 10 IJEE CCOc1ccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863030601 INJVSYKISWPGAM-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863105453 OSOLQGLXVIGWRI-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCc3ccccc3)C2=O)ccc1F 1863460849 HPUKNHBPNOJRGG-UHFFFAOYSA-N 439.490 4.831 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCCCC)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863493241 NDDPVZOYJDRGHB-UHFFFAOYSA-N 443.503 4.503 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2ccccc2F)C1=O 1863644322 FGALSRJQKYPXPW-UHFFFAOYSA-N 440.563 4.602 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1863666324 YFCHJIDDJJWIBI-QFIPXVFZSA-N 442.600 4.684 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)cc1 1867671464 SCALDZYFITTYSB-SVBPBHIXSA-N 447.538 4.870 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)c1cccc(Br)c1 1869013145 JBEXYCHZYNYMKE-UXHICEINSA-N 435.406 4.674 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CCc3cccc(Cl)c3)CC2)nc(CCC)n1 1869216316 PLWIQFIOCOKZSL-UHFFFAOYSA-N 440.035 4.626 30 10 IJEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(OC)cc1 1870350854 ZUSCDGUPBURHGP-UHFFFAOYSA-N 445.563 4.588 30 10 IJEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CN2CCN(C)CC2)cc1=O 1870416829 QIVCUDOCZKAMAC-UHFFFAOYSA-N 429.649 4.835 30 10 IJEE C=CCn1cc(OCCCCC)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1 1870676947 UXKYVKOLENSRGB-UHFFFAOYSA-N 429.992 4.579 30 10 IJEE CCc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCn2ccnc2)C4)cc1 1871349487 OKAKFSMSXJTTJM-UCQKPKSFSA-N 429.520 4.612 30 10 IJEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871369497 OCTDCTOMZBKGCW-NDENLUEZSA-N 446.371 4.647 30 10 IJEE COc1ccc(CNC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871446271 HXVLDMAOTRUDGZ-CFRMEGHHSA-N 443.499 4.623 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3F)c2C)C1=O 1871459764 BZTJPXPCFMLHKZ-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872088010 RDYVBPOPRZZBOR-VGOFRKELSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872411721 SYMUPZKBNQHTAP-QFIPXVFZSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1)S(=O)(=O)CCC 1872505037 FPKXUWLLJOQNRN-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872549965 LCRMHVPULAFCRN-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OC(C)=O 1872776252 LQTXPIDOBAUFFK-NUTIFNJFSA-N 436.464 4.773 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)c(OC)c2)=C(c2cccnc2)C1=O 1873269146 MIUOWGGDZDWMJC-UHFFFAOYSA-N 437.540 4.651 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1c(F)cccc1Cl 1874228081 RAVSJMYOBLSQEV-FSJBWODESA-N 432.908 4.819 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874230137 UGLAXFFUAHFVDB-SRZZPIQSSA-N 431.905 4.721 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2cccc(C)c2)cc1 1874335745 XIJOAYYZNCKXAW-MNVTYAKESA-N 447.608 4.794 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1cccc(Br)c1 1874398565 AXZFPJOUMYRPEW-WXUSHSQQSA-N 445.386 4.549 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874417855 QZJKSQNPUYCOPK-FSJBWODESA-N 428.945 4.787 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 1874452246 LZGQTXZGLOACCE-PCLIKHOPSA-N 448.596 4.615 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2C(F)(F)F)ccc1OCCc1ccccc1 1874459037 UELKXKIDLYLJDN-ZMOGYAJESA-N 436.459 4.531 30 10 IJEE CCCOc1cccc(/C=N/n2c(CC)nnc2SCc2ccc(C(=O)OCC)o2)c1 1874525429 MPHKNXHXCIVHLR-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1Br 1874606901 MDJFEZFLEXEMPZ-VMPITWQZSA-N 447.325 4.994 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(Cl)c1OCCO 1874628612 MDGMQYCVWCJEOI-ONEGZZNKSA-N 431.699 4.931 30 10 IJEE COCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2Cl)c(Br)cc1OC 1874696528 FBSXUFIFYQGJLL-BQYQJAHWSA-N 439.689 4.559 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 1875094880 NCRHAKYXJHLPEN-ZRDIBKRKSA-N 447.443 4.656 30 10 IJEE CN1CCN(C(=O)c2cccc(C(F)(F)F)c2C(F)(F)F)[C@@H](c2ccccc2F)C1 1891125021 LFZRSFAOZQBSIZ-MRXNPFEDSA-N 434.355 4.992 30 10 IJEE C[C@H](Oc1cccc2ccccc12)C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891616673 UOHVLVWJLJFMMM-KRWDZBQOSA-N 427.422 4.825 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)cc21 1891853740 LIAHINFWRIFWSU-UHFFFAOYSA-N 448.972 4.695 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 1892792329 DEFCMZXPPARACH-HYBUGGRVSA-N 427.545 4.739 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(C#N)(N(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)C2 1922286136 ZELXZLJXMOFKGT-FHWLQOOXSA-N 449.592 4.617 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1C#N)Cc1ccccc1 2010549797 LFKINJLHSIGFPW-UHFFFAOYSA-N 433.430 4.953 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2020139986 UXGSEOZRTAWCET-BTYIYWSLSA-N 436.557 4.852 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3cscc3OCc3ccccc3)c2)OC1(C)C 2038689130 UONWSFUVUDVXHO-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C=CCC1(NC(=O)c2csc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2054382901 KRQRMNZQIHIKHH-UHFFFAOYSA-N 429.380 4.586 30 10 IJEE Cc1nn([C@@H](c2ccc(C3CC3)cc2)C2CCC2)c(I)c1/C=N/O 2078994153 LZAJXKMGLPFFEP-PGNNWUFWSA-N 435.309 4.871 30 10 IJEE N#Cc1c(C(F)(F)F)nn2c(Cl)cc(-c3cccc(I)c3)nc12 2081184385 PCBWYMPMWWEUTH-UHFFFAOYSA-N 448.573 4.545 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CNc1cc(Br)cc(F)c1C#N)C(F)(F)F 2107452038 YUQXVGLTGPPDAP-SECBINFHSA-N 440.235 4.575 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2118195678 YHNBFAPDFXPZMF-LRDDRELGSA-N 426.330 4.589 30 10 IJEE Cc1ccc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2132679124 WUJIZGINLPGQBL-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1Br 2181049255 WKKBXRUEHPSGAQ-QGZVFWFLSA-N 436.350 4.998 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2185921290 ZUNMBSCRXASPHB-OAHLLOKOSA-N 438.341 4.686 30 10 IJEE CCN[C@@H](CC#C[Si](C)(C)C)[C@H](O)c1cc(Br)c(Br)s1 2187470044 FRDWFJGRENJGQD-AAEUAGOBSA-N 439.289 4.556 30 10 IJEE CC(C)(C#CC(=O)Nc1ccc2cc(Br)ccc2c1)NC(=O)OC(C)(C)C 2202914072 ZLUWJQCNJXNKLK-UHFFFAOYSA-N 431.330 4.848 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@](C)(CNC(=O)OC(C)(C)C)C(F)(F)F)NC 2212102901 IRDMEVXXHOFQIR-WIYYLYMNSA-N 430.511 4.831 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2235719704 NZJSIWWCKBXBAA-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2235727747 KNSWSCAIBRGVIM-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 2235733080 SZBBIXXAAQPCHG-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE COc1ccc(C#C[C@@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2237743300 AOOIGTNLTMYABM-LJQANCHMSA-N 431.330 4.856 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2249348162 IHMCTWGKPVWNEL-BSZHMFSPSA-N 434.541 4.509 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]2CCCC[C@H]21 2253868185 HMNWXHUHNMWHGD-YVHKJVDXSA-N 448.568 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2262205578 LTQORNRTUDDASX-RUZDIDTESA-N 445.556 4.553 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@@]1(C)NC(=O)OC(C)(C)C 2296215952 GANQZNQMSKJZRP-NNMXDRDESA-N 435.406 4.862 30 10 IJEE CN(Cc1ccc([C@@H](N)C#Cc2cccc(Br)c2)cc1)C(=O)OC(C)(C)C 2296217685 XIBDOCWXMJLOTA-FQEVSTJZSA-N 429.358 4.868 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@H](O)C#Cc3cccc(Br)c3)(C2)C1 2296225137 RJXFROCEQCTLLL-LRXVAGHRSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2296288165 CSFNXYOADRLABQ-UYAOXDASSA-N 437.422 4.966 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296289135 OKWKNHBBYHVRBE-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 2296291533 POJMJGPPBCJVGX-QYZOEREBSA-N 439.369 4.516 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)ccc1O 2320919095 UHUUMXYPPKYSBA-UHFFFAOYSA-N 447.879 4.736 30 10 IJEE CCCCCOc1c(Br)cc(C=Nn2c(CC)nnc2SC)cc1OC 2320920990 CLSJTSZJUMQHBI-UHFFFAOYSA-N 441.395 4.785 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2322961367 BNVMRPTXEDVYCJ-UHFFFAOYSA-N 431.419 4.928 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccc(O)c2)cc1 2329249108 KMILHWDZPSTDCS-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1OC 2330707410 NPIILHJCYQLRMC-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccc(C)c1 2331344298 DBBZQZSWWDAJTE-UHFFFAOYSA-N 432.553 4.752 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2)cc1 2331377092 GUEUDYADMIOHHM-UHFFFAOYSA-N 439.560 4.890 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(F)c2)c1 2331436414 SUPHWBMWWLLMGJ-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc(F)c1 2331512225 PVNGNNTWVJZXCC-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)OCCC)nnc2C(C)C)cc1OC 2331715188 ORONTBRFMKOJBM-UHFFFAOYSA-N 448.589 4.517 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccccc1Cl 2331726494 RCJRDGYHCCQNTL-UHFFFAOYSA-N 439.972 4.984 30 10 IJEE CC1(C)[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C[C@H]1OCc1ccccc1 2339297697 MYRHCMRKRGVFJC-DHIUTWEWSA-N 432.373 4.653 30 10 IJEE O[C@@H](C#Cc1ccccc1Br)c1ccc(Cl)cc1I 2340036822 LJHBHHINPSSLGN-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE Cc1cc(CN[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343597658 XGFJQDPOTVHAGU-RPWUZVMVSA-N 435.417 4.768 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 2360197666 RSLLJMMAJDSYLF-LZNRXBQRSA-N 433.390 4.568 30 10 IJEE C=CCC1([C@H](O)CCc2ccc(OC)cc2Br)CN(C(=O)OC(C)(C)C)C1 2364850091 VWWMUCRACLARGS-GOSISDBHSA-N 440.378 4.564 30 10 IJEE C[C@@H]1CCC[C@@H]1N[C@@H](C#Cc1cccc(Br)c1)CCNC(=O)OC(C)(C)C 2367133747 ZMZXTJZWIWCWFB-UXPWSPDFSA-N 435.406 4.862 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(C)o3)n2)cc1 20834925 ZRUWCCLCJFAVQE-KOUDTOEKSA-N 426.546 4.787 30 10 IJEE Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1[N+](=O)[O-] 21254671 MMKGMJMSTWBPTO-QUCCMNQESA-N 434.492 4.695 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(Cl)c2)cc1 21254877 FXVMMIQOTXIBQZ-AEFFLSMTSA-N 425.912 4.752 30 10 IJEE CCN(C(=O)[C@@]12CC[C@@](C)(c3nc(C#N)c(C#N)nc31)C2(C)C)c1cccc2ccccc12 39846446 VAZLHNWWWUIJTQ-RRPNLBNLSA-N 435.531 4.755 30 10 IJEE C=C(Br)Cn1c([C@@H](C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21 40193797 APFNFNKNQVLCCN-QGZVFWFLSA-N 442.357 4.818 30 10 IJEE Cc1nc(COc2ccc(/C=C/C(=O)Nc3ncccc3OCCCC#N)cc2)cs1 72087481 UVCCUASYJNDULM-DHZHZOJOSA-N 434.521 4.760 30 10 IJEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3ccc(OCc4ccccc4)cc3)cc21 96537828 FSUXHBIPRMJAQL-LJQANCHMSA-N 443.499 4.827 30 10 IJEE O=C1ON=C(c2ccc(Cl)cc2Cl)/C1=C\c1cccc(I)c1 98064376 RDFMBWQZPMEFRC-NTUHNPAUSA-N 444.055 4.943 30 10 IJEE N#Cc1ccc(OCCCN2CCC([C@@](O)(c3cccc(F)c3)c3ccccn3)CC2)cc1 103256797 YLADDJNCJBCBJE-HHHXNRCGSA-N 445.538 4.509 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)c1OC 169951652 QPOVTWVFMMTJJG-HSZRJFAPSA-N 435.520 4.544 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(O)c(OCC)c1 169974592 GWQJXQOGSTVUAA-DEOSSOPVSA-N 437.536 4.878 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)cc1 170047954 XGBWOFFNQBCFAH-DEOSSOPVSA-N 442.515 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170076161 BXKDCJGFCCAISP-KKSFZXQISA-N 436.895 4.579 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)c1 170090227 ZYCFWMDJHUMXMH-JOCHJYFZSA-N 445.427 4.826 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccco2)cc1C 170098603 IUBUPQNETVZCTK-NRFANRHFSA-N 443.459 4.564 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100661 KAHYMZLVKSXSAT-JOCHJYFZSA-N 443.411 4.846 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1)c1ccc2c(c1)CCCO2 170174068 HKUXROPGPJXREC-QFIPXVFZSA-N 446.890 4.843 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)cc1 170186081 ZPLKIVMCIDXPHH-VOIUYBSRSA-N 440.499 4.750 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)c1 170192810 FBUYDVJWRSEOPI-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)cc1 170224317 SQUQOGIYURIBJD-QFIPXVFZSA-N 428.444 4.940 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1c[nH]c2ccccc12 170256006 WJCCSJAUVXBTOX-QHCPKHFHSA-N 448.519 4.954 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(O)c2)cc1C 170259019 YSFBHSTWUVFMQP-HSZRJFAPSA-N 445.471 4.506 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)c1 170278705 ZWCSHZPNDMDYBG-HSZRJFAPSA-N 429.472 4.950 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccco2)c1 170278715 WJBXOXWYZQILNJ-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305844 NGLKOCCEJHRFFI-LJQANCHMSA-N 440.358 4.557 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2sccc2C)c(C)c1 170316788 HRXPNUMKSZVIIR-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccco1 170422587 UEHAWEHXEJIVNU-SFHVURJKSA-N 429.259 4.760 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C\c2ccc(O)c(C)c2)C1=O 206888713 JHUANZYHVJULGD-UYRXBGFRSA-N 425.506 4.643 30 10 IJEE CCOc1cc(CNCc2ccc(C#N)cc2F)cc(Br)c1OC(F)F 236962665 VJDIVBSSGKCPQH-UHFFFAOYSA-N 429.236 4.750 30 10 IJEE C[C@H]1CC[N@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@@+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 253685889 NHIMKJGHMGZYFT-NCQDULDFSA-N 434.624 4.692 30 10 IJEE CC1(C)OB(CCC[C@H](N)c2cc(Br)c(O)c(Br)c2)OC1(C)C 383703370 PFBZNJQFVXWJML-ZDUSSCGKSA-N 448.992 4.789 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)cc1 437853783 XSYMDSQVDVSJQH-MBSDFSHPSA-N 437.515 4.634 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccccc2OCc2cccs2)CC1 438597347 GLWPLFGMDQMKBL-UHFFFAOYSA-N 433.533 4.714 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)cc(F)c1Br 443522989 QUGBEGVRZINWIW-UHFFFAOYSA-N 426.217 4.856 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC2C[C@H]3CC1C[C@@H](C2)C3 460944396 FHWSGHCITQFBBY-ZVBHREPYSA-N 438.572 4.562 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 485604318 ITYRHJYGIKGMJF-UHFFFAOYSA-N 436.310 4.745 30 10 IJEE CC(C)c1ccc(/C=C/CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1 491457779 VMNDXHODCOLSOZ-SOFGYWHQSA-N 427.552 4.602 30 10 IJEE CC1(C#N)CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CC1 507841996 UUFYNLSXLKNZAJ-UHFFFAOYSA-N 425.492 4.505 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2SCc2nc(C)no2)cc1 508149972 URDAQYJASYDKAI-UHFFFAOYSA-N 448.548 4.737 30 10 IJEE C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 538362975 MGDXTUVRLLSASK-HNNXBMFYSA-N 438.915 4.875 30 10 IJEE C=CCC1([C@@H](Cc2cc(Br)ccc2F)NC)CN(C(=O)OC(C)(C)C)C1 722906752 RIJOFJWEMXVJIS-QGZVFWFLSA-N 427.358 4.532 30 10 IJEE CCOC(=O)COc1c(Br)cc(C)cc1/C=C/C(=O)c1ccc(C#N)cc1F 781550518 ZNUUGOUMTWSBBZ-FNORWQNLSA-N 446.272 4.606 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CCCN1C(=O)OC(C)(C)C 790663271 MHMQSIITYQUUAM-BXKMTCNYSA-N 425.529 4.865 30 10 IJEE C[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918544450 GHRXDCMPJDVFRP-JJEKXKKKSA-N 442.585 4.505 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)c2ccc(F)cc2)n1 1084257254 AJLUDIJJCYAJNP-UHFFFAOYSA-N 444.561 4.623 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)Nc1ccccc1 1084399071 MHHUSUHBKQQQHD-UHFFFAOYSA-N 444.520 4.774 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H](C)C2)c1 1133786952 RWISBQRJCNYAHA-VQIMIIECSA-N 432.973 4.640 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCCc3c(C)cc(C(C)(C)C)cc3C)n[nH]2)c1C 1135841961 YPSSYAQCUDCLPY-UHFFFAOYSA-N 433.600 4.963 30 10 IJEE O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1noc(-c2cccc(F)c2)n1 1137836640 FFEJDDGOXCGKKY-CYBMUJFWSA-N 433.283 4.928 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)C[C@H](C)C2)C(=O)OC 1141995200 KWMYJABJXVIAIN-LOWYVTGOSA-N 438.527 4.652 30 10 IJEE C=CCCC[C@H](C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccccc1 1157631683 XLYBISMQQAVFGB-HOFKKMOUSA-N 445.563 4.668 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 1178329991 JJGHMOYSAIRHSC-UHFFFAOYSA-N 447.516 4.520 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 1189096809 HTTRPIKQQFEQHQ-UHFFFAOYSA-N 428.863 4.978 30 10 IJEE C[C@@H]1CCCN(Cc2ccc(Br)cc2C#N)[C@H]1CCNC(=O)OC(C)(C)C 1195776870 FZHMWLSPVWHERL-BEFAXECRSA-N 436.394 4.836 30 10 IJEE Cc1cccc([C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)(C)C)c1 1208473379 HMTHRQYUWJVUSB-SFHVURJKSA-N 439.350 4.834 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1214197100 SILXNYQFQCUJHM-UHFFFAOYSA-N 427.998 4.629 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(I)ccc1Cl 1215816197 PTRPFEHMSFXFFG-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc(OC)c1OC 1216175586 POKBCUQFPCWPDF-UHFFFAOYSA-N 444.491 4.957 30 10 IJEE C#CCN(C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1222952353 CHEJJCCVEHGHMI-OAQYLSRUSA-N 427.589 4.792 30 10 IJEE C=C(C)[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1)c1ccc(F)c(F)c1 1226646797 HZJKYNJRYAGFTP-NTKDMRAZSA-N 443.538 4.515 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 1227538148 GZPWELILECSGSK-ZCLUNYJNSA-N 442.332 4.925 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(Cl)c(C(=O)N(CC)Cc3ccccc3)c2)C1 1254609464 YDMCNVWWKFEVKD-FQEVSTJZSA-N 441.959 4.811 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCCCC)ccc1Cl 1264239431 PZJAKHYAXGCZBY-UHFFFAOYSA-N 441.380 4.905 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1264924217 JMEOBTLHEAQGAK-QFIPXVFZSA-N 430.936 4.810 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(CC)cc2)cc1 1270241917 CTFFALQTNNAHTG-XMMPIXPASA-N 448.563 4.695 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)Cc2c[nH]c3cccc(Br)c23)c1 1270778825 GDVOVUFITULIQS-UHFFFAOYSA-N 448.114 4.850 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)OCc1cc(Br)cc(C#N)c1 1270786656 QHZUFJSJBHSTLY-ONNFQVAWSA-N 425.076 4.823 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 1272668461 ABRCPBNUTGSSNL-UHFFFAOYSA-N 429.423 4.529 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C(C)C)CC1 1286279440 MNNYAKYIKGYUAK-OAHLLOKOSA-N 431.378 4.610 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2nccs2)CC1 1286344601 RMLSMFFSXTZXSA-UHFFFAOYSA-N 441.988 4.861 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286497666 VSUUJZXBDDWZAO-GOTSBHOMSA-N 448.640 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1Cc1c(C)coc1C 1286528820 ODNIGZIGGMIPSE-RUZDIDTESA-N 434.540 4.506 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(C)(C)C 1286535385 IAOBIDLAENCZRI-CQSZACIVSA-N 425.346 4.948 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)OC1CCCC1 1286536943 UONPXOKJYZUQJH-AWEZNQCLSA-N 439.329 4.776 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCOCC(F)(F)C(F)F)CC1 1286638117 UZRJUWYACROEBX-GOSISDBHSA-N 440.485 4.893 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC=C(COC)CC1 1286666645 CTPXJHHJCLYOKO-GOSISDBHSA-N 428.552 4.942 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cc(COC(C)(C)C)on1 1286714825 UFGOUHZZVKLALG-INIZCTEOSA-N 443.523 4.531 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)nc1 1286762777 MGRAZQGCTWMSIX-UHFFFAOYSA-N 444.970 4.596 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2 1289131303 ZHCZDBPXMOAWRM-GFCCVEGCSA-N 438.578 4.753 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H]2CCCCO2)c1 1289334854 BZWNEPSDOVJGPJ-SQJMNOBHSA-N 437.588 4.563 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 1292704342 UHPKXQYLAWSCRU-LJQANCHMSA-N 449.979 4.764 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CCC(F)(F)CC2)cc1 1300049026 GOOPTTJGJHYGHO-QFIPXVFZSA-N 429.515 4.909 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N1CCCC1 1300286407 JSQFXPGAANVSMP-OXJNMPFZSA-N 441.938 4.626 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1300313287 FOGVJLPLHFBNPJ-KRWDZBQOSA-N 431.540 4.638 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OC(C)(C)C)CC1 1300371793 XSMZDHFACBCMFC-UHFFFAOYSA-N 433.600 4.938 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)c1ccco1 1300421831 SJINEHXZQFOSOG-MRXNPFEDSA-N 443.345 4.823 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CCC(C)CC1 1300734473 VDVNQBFIPDHBBT-FDYSRKEFSA-N 430.593 4.939 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C)[C@H](C)C1 1300833711 AXOXHJWPFGMOLE-HUUCEWRRSA-N 426.362 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CCCC1 1300898109 WHKIEUWIVPQDCV-AUSIDOKSSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300907273 FKMBCFIFCFFNDW-CTNGQTDRSA-N 439.604 4.993 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1300946299 XPBMSJFCGYQBCP-RBUKOAKNSA-N 434.588 4.656 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@@H](C)c1nccs1 1300981363 ZAUIQDVSOUGIAB-GOSISDBHSA-N 448.596 4.782 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2(COC)CCCC2)CC1 1301075602 KYZXFHOAMXNRDW-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1301129915 GXWSAQAJNQXTAV-RBUKOAKNSA-N 436.526 4.836 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1301209556 YJNLXVHQFNAYBS-IBGZPJMESA-N 425.968 4.615 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1301270532 IUQXXQWLMSMZMA-BGYRXZFFSA-N 432.616 4.792 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(Cl)nc1 1301347654 ZELTWVDZTIGYCV-UHFFFAOYSA-N 430.943 4.938 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1301403461 ZLGOOOPENGKBGX-QTJGBDASSA-N 438.616 4.960 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@@H](C)C1 1301415696 ZYXCEFKFZVTKAL-OALUTQOASA-N 444.645 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2cccs2)C1 1301538899 MDRXAWGVKJMLLP-FXAWDEMLSA-N 442.560 4.643 30 10 IJEE C[C@H](Oc1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1)c1ccccc1 1302585178 GRXBZZPXRNDLSJ-IBGZPJMESA-N 429.495 4.800 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 1310058331 UZAUELGSQRNWMB-BZSNNMDCSA-N 431.577 4.973 30 10 IJEE C#CC[C@H]1CCN(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)C1 1310162834 VYWPQMLGJJSNAE-AWEZNQCLSA-N 429.879 4.617 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c1ccc(F)c(F)c1 1312180711 WJULHXSTYOBODD-APWZRJJASA-N 425.520 4.821 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 1312744851 FLAUXKRDKOGCNX-HNAYVOBHSA-N 449.979 4.990 30 10 IJEE CCCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1313508528 HPLZIFWLGDFUSN-HOYKHHGWSA-N 425.577 4.767 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 1320185001 CABYIEKVEBUMRO-WORNYLJVSA-N 449.532 4.939 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)C1 1342304853 LFFPPTBTICXAMX-PMACEKPBSA-N 433.321 4.664 30 10 IJEE CCCOc1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)cc1OCCC 1352753725 ARFDOHFTECMEFA-UHFFFAOYSA-N 447.329 4.916 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccc(Cl)c(Cl)c3)C3CC3)cc2C1=O 1355025405 UVSYVZPSTXLSKJ-UHFFFAOYSA-N 429.303 4.580 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1358924526 ZOAUAMIPNVXOMC-ROUUACIJSA-N 430.955 4.794 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)OCC 1358971141 JMAHKVWWGZIGBS-UHFFFAOYSA-N 426.973 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCCS1 1359003952 CKYANIYUSICBCT-OAQYLSRUSA-N 436.581 4.862 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1359050837 DWCQLHIIQUFWSH-MAUKXSAKSA-N 433.419 4.699 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccoc1C 1359055169 VAJCXBSHAHPMEI-UHFFFAOYSA-N 433.537 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC[C@@H]1CCCCO1 1359068169 QMZOWILQVQKHNT-HTAPYJJXSA-N 443.389 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCC(F)F)nnc1C1(c2ccccc2)CCC1 1359104776 FUPUSBZEDVAEFN-NQIIRXRSSA-N 430.543 4.821 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1359134214 OIHSVJIWXVRULZ-UHFFFAOYSA-N 442.448 4.781 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1359192218 ZGFPOYUFYQCBOG-UHFFFAOYSA-N 449.640 4.500 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 1359194180 QMUGHMWAEFEEBZ-ZEQRLZLVSA-N 437.632 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCCN1CCCC[C@@H]1C 1359263314 XYZACBZESGGMFO-FQEVSTJZSA-N 438.645 4.802 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCCO1 1359274507 PLUVYNDBHCBEMM-QGZVFWFLSA-N 437.371 4.911 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@@H](O)C2)c1 1361122191 FHPDZXSKUCDYMQ-NJDAHSKKSA-N 439.604 4.578 30 10 IJEE Cc1ccc(-n2nc(Br)cc2C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 1434883808 HXFBSBUTFQFQIS-UHFFFAOYSA-N 439.313 4.854 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H](C)C2)ccc1Cl 1435931889 VTVADTRGBMJOJK-SFHVURJKSA-N 447.000 4.984 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1 1435976693 OJNYGIIFYUBKGA-REWPJTCUSA-N 440.927 4.508 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)c1ccc(F)c(F)c1 1447968819 GKBNNGMYSHISNH-KRWDZBQOSA-N 425.357 4.630 30 10 IJEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 1452020591 CGLGIMPBRJSFHK-GOSISDBHSA-N 425.573 4.739 30 10 IJEE C#CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1455811072 MMQFVXGHMNKYBM-UHFFFAOYSA-N 442.453 4.628 30 10 IJEE O=C(NCc1c(F)cccc1-n1cccn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1460126251 BRLNBABIGWUETB-UHFFFAOYSA-N 431.311 4.979 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(Cc3cccc(Cl)c3)CC2)CCCN1C(=O)OC(C)(C)C 1460754299 HXURBVQSZHYONB-DEOSSOPVSA-N 430.976 4.572 30 10 IJEE C#C[C@@H](NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1ccc(Cl)cc1 1460784371 AMSSEKUOSOBAOW-QGZVFWFLSA-N 426.925 4.893 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)c1ccccc1 1462504524 LQEUZEVQBOXNIA-GOSISDBHSA-N 436.371 4.680 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(Br)cc(Br)c2N)c1 1464440730 LVTOAEUGARWICI-UHFFFAOYSA-N 426.108 4.611 30 10 IJEE C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCN1CC(F)(F)F 1466569000 BEEOAJGGVLWVMS-OAHLLOKOSA-N 434.487 4.810 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccc1)C(F)F)[C@H]1CCOc2ccc(Br)cc21 1466618535 UOSVEPNMEXCMKI-PKOBYXMFSA-N 449.295 4.924 30 10 IJEE C=CCC1(CNC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CCCC1 1477300079 ZONFMHAEUCGKOQ-LJQANCHMSA-N 437.506 4.805 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)c(F)c1 1507521228 LBIZAVXOMZNGEC-LSDHHAIUSA-N 426.536 4.916 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1507524055 UMHSULWKSQHEJZ-CTNGQTDRSA-N 430.600 4.783 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cccs1 1507668707 LRAJIPUNEBKFMA-UHFFFAOYSA-N 432.593 4.943 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(Cl)cccc2C1 1507749861 ZUOBLEFSESCCCX-UHFFFAOYSA-N 444.391 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCN1CCCC 1507770538 NAASROXDZKIVHX-WNCULLNHSA-N 449.643 4.546 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc2ccccc2s1 1507806385 HOQSHRSLEUYNBP-UHFFFAOYSA-N 432.553 4.591 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2[C@@H]1C 1507822944 QPVZQEMRJZFHBH-HNNXBMFYSA-N 426.362 4.746 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(Br)cc1 1507836564 QBQONYADDHGQQM-HNNXBMFYSA-N 435.276 4.804 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@@]2(CC=CCC2)C1 1507849073 UNDFRCKVBYLARE-VWLOTQADSA-N 440.563 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507911963 QWTRRKFBAAFQEF-UHFFFAOYSA-N 447.583 4.665 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCCC1 1507997842 GXOFPTXQOARBHJ-UHFFFAOYSA-N 449.599 4.922 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCCC[C@H]2C)C1 1508118427 VKKOYIOSEBKZOV-ZJSXRUAMSA-N 437.632 4.553 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H](C)C#N 1510499679 GKTMPJGCIFMJJS-LBPRGKRZSA-N 448.365 4.861 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc(Br)c(OC(F)(F)F)c2)cc1 1515072453 RQDOLAFGJGHPMC-UHFFFAOYSA-N 429.188 4.717 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 1519864731 JHIVSQVWIHXWAI-RUZDIDTESA-N 428.507 4.657 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCC1(F)F 1521154638 HFXMRITYBPUKFW-LJQANCHMSA-N 431.506 4.964 30 10 IJEE C=CCC[C@@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)c1ccccc1 1526450645 AEOFVOYPUQIIJE-QLSBTUPBSA-N 439.600 4.727 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(NC(=O)OCC)cc2Cl)cc1 1526773526 HGJYIGSVFPJARM-UHFFFAOYSA-N 441.915 4.975 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)nnc1-c1ccco1 1526899612 YKXHKFCTFGIZKM-KRWDZBQOSA-N 440.569 4.938 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1527974279 DSUDBAGWODGFKV-FQEVSTJZSA-N 429.520 4.800 30 10 IJEE C#CCN(C(=O)c1cccc(-n2cccc2)c1)[C@@H]1CCOc2ccc(Br)cc21 1531552086 ABJWISZCSOCHFQ-OAQYLSRUSA-N 435.321 4.839 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@@H](C)c1cnc(-c2ccc(Br)cc2)s1 1534531368 YXDUAUJJRDCSQD-BLLLJJGKSA-N 437.359 4.648 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 1535021329 IFULZQWDTGLQEK-KRWDZBQOSA-N 431.879 4.996 30 10 IJEE C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(C(F)(F)F)cc1 1535597496 FUWKEJYYSUUJMS-WFASDCNBSA-N 436.817 4.888 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(OC)C1CC1 1539147516 AWGRXCCIFHNPOX-HXOBKFHXSA-N 430.980 4.573 30 10 IJEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CCC)CCC1 1539291632 UBCGIIHRYOTXDP-UHFFFAOYSA-N 431.584 4.581 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1CC 1539391792 ICEWTPSURHABIU-GOTSBHOMSA-N 448.590 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(OCC)CCCC1 1539539462 UWJLPIXEMAKPFD-YADARESESA-N 440.563 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1(OC)CCCCC1 1539567027 SAVNFARGYYIGMV-RUZDIDTESA-N 436.600 4.815 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC2(CCCC2)C1 1539778806 HZAFPWDKZQXYFQ-UHFFFAOYSA-N 438.801 4.959 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N(CC)CC)CC1 1539828321 HUYVBEGNSIVMKE-OALUTQOASA-N 432.012 4.958 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1540007599 ULUFWKCMKXNFGC-UHFFFAOYSA-N 429.568 4.923 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCn1cc(Cl)cn1 1540137902 WNQVOZCBSOCPAV-UHFFFAOYSA-N 428.943 4.818 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(C)C)C1 1540881614 NULJFCFPHHLPAB-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N2CCC(C)CC2)C1 1540885651 NBADUOQQGIGTPN-KNQAVFIVSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccccc1OC 1540918366 POLJQBWINPYABT-OAQYLSRUSA-N 435.597 4.533 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N1CCC[C@@H](C)C1 1541106706 AWSWFVOEQRKLOX-BRWVUGGUSA-N 449.430 4.968 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)n1 1543691296 FKXUCYGCITVFDE-VWLOTQADSA-N 447.604 4.642 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)cc1OC 1545441485 PGCSNNSLHNJIIE-FYJQUHEMSA-N 426.601 4.776 30 10 IJEE O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(C(F)(F)F)cnc1O 1545883988 FGSDHUUUDWWCIF-UHFFFAOYSA-N 440.250 4.589 30 10 IJEE CCCC1(Cn2c(COc3ccccc3OCC)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1546935559 FBTZANDLWMIQQS-DEOSSOPVSA-N 437.588 4.966 30 10 IJEE C#CCN(C(=O)/C=C\c1cc(Br)c(O)c(OC)c1)[C@H]1CCCc2ccccc21 1558542460 JUBNRVYUAZVVEB-DUQGCJEPSA-N 440.337 4.716 30 10 IJEE C#C[C@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1ccc(Br)cc1 1584708619 SLBCWEXPKITRCK-IBGZPJMESA-N 432.745 4.641 30 10 IJEE COC(=O)c1c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)sc2c1CCOC2 1585466846 BJCGJHLQQIURPQ-UHFFFAOYSA-N 448.500 4.718 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C1CC1)N(C)C 1587575425 VIWSJDTTXYJYOK-PBHICJAKSA-N 428.005 4.611 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1587883794 MOKJNURBTINXGW-HSZRJFAPSA-N 446.599 4.643 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](c1ccsc1)N(C)C 1587915740 QNSZQQNZTDXVOD-OXQOHEQNSA-N 444.004 4.505 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCSCC(F)(F)F 1588452648 UZGSHRNSQDRBLY-UHFFFAOYSA-N 448.967 4.979 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(C)C)C1 1588993486 JDYNMGFJFNSKAG-FQEVSTJZSA-N 434.613 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C)nc1 1589150725 JQYJPVMJSAPUNC-HOYKHHGWSA-N 435.959 4.815 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1589347016 CAAGSGNKGKDWPF-CYBMUJFWSA-N 436.785 4.919 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Cl)s1 1589559515 SGXXQHSOSBSTNU-LAUBAEHRSA-N 444.004 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCOc1ccc(Cl)cn1 1589668857 DZTZSHSEYYSSKS-UHFFFAOYSA-N 429.927 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1589687947 UXUZXKNMPRBBHG-AOJNWGRGSA-N 438.616 4.818 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(C)(C)C)C1 1593827097 WZCHBSOQEWIOEE-CYBMUJFWSA-N 426.790 4.671 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](COC)C1 1594454881 IQQMTAAPMIAYEV-XLIONFOSSA-N 448.995 4.525 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccnc(C(F)(F)F)c1 1594943314 ODIGINMYSONZFG-UHFFFAOYSA-N 440.429 4.684 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCc1scnc1C 1595093495 DQFWRTWWDVJKTE-NRFANRHFSA-N 448.596 4.592 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCCCO1 1595127271 LGFMGCGZJQTGSZ-NRFANRHFSA-N 435.547 4.939 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1ccn(C)n1 1595178037 FAUDACTXLPNBRR-UHFFFAOYSA-N 445.596 4.532 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2cccc(OC)c2)no1 1596886165 FDUDQJPQQZMKBR-UHFFFAOYSA-N 429.270 4.930 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(F)c(Br)cc3C2)cc1OC 1611217860 XNOCFDHBGXYNCP-ALCCZGGFSA-N 446.316 4.760 30 10 IJEE C=CCn1c(SC[C@H](O)c2ccc(F)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1613104417 FZNQDJPZFOMAKR-GUYCJALGSA-N 430.570 4.734 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 1616209495 UJEZJZQGNLJNKN-MSOLQXFVSA-N 445.387 4.783 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)C1 1622958028 XMWWPCRMYQOGGL-FQEVSTJZSA-N 436.987 4.539 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)CC2)c1 1626114330 BYKQLTIRZFUVQP-SFHVURJKSA-N 447.000 4.984 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 1626290086 SOUJMVYOZUXDES-UHFFFAOYSA-N 448.588 4.975 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 1629019866 NVBDIXOGSAUDMD-RUZDIDTESA-N 426.420 4.932 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2C1 1631079278 ASYOKZUNTCPUIR-SFHVURJKSA-N 425.554 4.816 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2cccc(OC)c2)[nH]n1 1638813483 BHNYDFIQXWOPLE-UHFFFAOYSA-N 428.286 4.665 30 10 IJEE C=CCn1c(SCC2(Br)CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1643338294 OSDSQEKPKQCXSU-NSHDSACASA-N 425.417 4.788 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2COc2ccc(F)cc2)cc1 1647940673 DHFHFUFLVZGDEG-QHCPKHFHSA-N 430.479 4.960 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 1648691589 BZVGHCFKLZEPKH-HSZRJFAPSA-N 444.579 4.612 30 10 IJEE N#Cc1ccc(N2CCN(Cc3cc(C(F)(F)F)ccc3Br)CC2)c(F)c1 1651921850 HFLNZHSVBWCWJT-UHFFFAOYSA-N 442.254 4.801 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](c3ccccc3)C[C@H]2C)n(Cc2ccc(F)cc2)c1C 1652501023 CRPVKBQFULBKKC-JPYJTQIMSA-N 444.554 4.981 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1655044451 DHMYVCGWVGDDDF-JYFHCDHNSA-N 442.607 4.939 30 10 IJEE C=C[C@H]1CCCCN1c1nc(CN2CCCCC2)nc2sc(C(=O)OCC)c(C)c12 1655430332 HSNPZGQEYQLJJT-KRWDZBQOSA-N 428.602 4.707 30 10 IJEE N#Cc1ccc(-n2c(SCC(=O)c3cccc(Cl)c3)nc3ccccc3c2=O)cc1 1656169366 CYHTUWMDULVIDF-UHFFFAOYSA-N 431.904 4.886 30 10 IJEE CC(=O)[C@@](C#N)(CCSc1nnc(NCCc2cccs2)s1)c1ccccc1 1656190315 CUHJCRAYQQGBDZ-FQEVSTJZSA-N 428.608 4.787 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)CC2(C#N)CCCCC2)c1 1661060284 BKBNDSJFIRFTMF-UHFFFAOYSA-N 439.533 4.665 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)cc1 1663217792 OFALOPQSOHOPIU-UHFFFAOYSA-N 448.894 4.620 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)cc1 1666221819 ZJUBEBXYJSWOID-HXUWFJFHSA-N 436.618 4.605 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 1667568254 PKOYECSBBUIFNE-UKILVPOCSA-N 443.522 4.627 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)C1 1668018100 CCJNWYPGXYMNNH-MRXNPFEDSA-N 427.907 4.676 30 10 IJEE C=CCCC[C@H](C)NS(=O)(=O)c1c(Br)cc(C)cc1Br 1668241076 PLCQLNSPLAKWOE-NSHDSACASA-N 425.186 4.543 30 10 IJEE CC(C)[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1Cc1ccccc1 1668913174 CHWBROIWUMMDBO-OAQYLSRUSA-N 430.474 4.951 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)[C@@H]1CCCO1 1669350767 RUSKXZVYBGTRIM-MJGOQNOKSA-N 433.277 4.683 30 10 IJEE Cc1ccc(C2(CNC(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)CCCC2)c(C)c1 1671561393 FOXIQRUFJQJFDJ-UHFFFAOYSA-N 441.579 4.887 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)n(-c2ccc(C#N)cc2)n1 1671797590 GVSFBHGMDQPSEN-UHFFFAOYSA-N 446.530 4.535 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)c3ccc(OC)c(Br)c3)cc2n1 1673215668 HEHYUKQXJYCIKK-CYBMUJFWSA-N 429.318 4.876 30 10 IJEE COc1cc(NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c(F)cc1C#N 1673295737 CYZYQSZSNXXDFX-UHFFFAOYSA-N 428.411 4.593 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 1673582014 NWBNASLTEWEOQF-OFVILXPXSA-N 427.589 4.749 30 10 IJEE Cn1c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)nc2cc(Cl)ccc21 1673909368 FDANRKTWHREZKZ-UHFFFAOYSA-N 432.871 4.607 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1ccc(F)cc1 1674015345 WZMHKYPRYIAVRJ-OAQYLSRUSA-N 434.490 4.619 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 1675961405 GEXMUDRAFNGAOS-UHFFFAOYSA-N 429.586 4.621 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(N2CCCOC2=O)CC1)c1ccc(C(F)(F)F)cc1 1680854807 HKTGZHKPPNKZMO-LJQANCHMSA-N 439.478 4.729 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1 1681093722 DQFVMXPHUIFXER-HFZDXXHNSA-N 447.535 4.693 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 1681778906 HRFGUTAVACSEHX-ORAYPTAESA-N 445.293 4.628 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1)c1ccc(Br)cc1 1682356689 LPHQBKXTFMHVEH-IBGZPJMESA-N 449.389 4.667 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1690068860 DAFNTSFEABUCKX-NZQKXSOJSA-N 433.625 4.858 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1c(F)cccc1Cl 1690243158 HSSZGYNYHNPKJH-UTKZUKDTSA-N 441.938 4.750 30 10 IJEE C=C(C)Cn1c(N(CC)Cc2ccccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690296706 HTMDMSLGKPHVKZ-KDURUIRLSA-N 443.567 4.791 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1690330449 HHEMAZBPGLXRNO-KRWDZBQOSA-N 435.975 4.620 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(SC)CCOCC2)CC1 1690412195 HPHSSSVWNHTPMH-UHFFFAOYSA-N 447.048 4.837 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CC1 1690415706 VKEBMZYNWFXZKU-HXUWFJFHSA-N 441.526 4.957 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CC1(COC)CCC1 1690569337 FOFOTYVUPGDIIN-OAQYLSRUSA-N 428.552 4.668 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1Cc1oc2ccccc2c1C 1690601162 SBTSEEYQAPCBFL-UHFFFAOYSA-N 447.564 4.551 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1C[C@@]1(C)OCCc2sccc21 1690609749 YXHCURYVIMCHRL-XMMPIXPASA-N 440.613 4.854 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)C1 1690700609 VHQKNEZQFQQSST-WIYYLYMNSA-N 446.039 4.604 30 10 IJEE CCc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1694530399 HDVQXIAVHDXBJJ-HSZRJFAPSA-N 439.560 4.798 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C)C1CCCCC1 1705478241 YIQMEKXFDMDPBJ-RBUKOAKNSA-N 444.023 4.794 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCC(F)(F)F)CC1CC1 1705512575 HSRLUPRENNROKA-UHFFFAOYSA-N 448.489 4.689 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(c2ccsc2)CC1 1705525960 APALJZJWLVXJBU-UHFFFAOYSA-N 436.581 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCO[C@@H]1CCCC[C@@H]1C 1705606508 VPRVAJKHTABUIO-YADARESESA-N 431.584 4.857 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1ccc(C(F)(F)F)cc1C 1705673974 UQRXJPNHIJADRZ-JOCHJYFZSA-N 425.458 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1705712011 IUVQSAMFZZYTCV-OAQYLSRUSA-N 436.556 4.773 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C2CC2)C1 1705731736 BLCBWKKHMDDCOD-SFHVURJKSA-N 431.378 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(C)(C)C1CC1 1705841106 OBEADKFNVUWFRM-UHFFFAOYSA-N 434.588 4.684 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1705851995 VDYGNALAXIBREY-UHFFFAOYSA-N 429.446 4.571 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC=C(C(F)(F)F)CC1)C(C)C 1705867482 ONKXBFJENBHHGT-FQEVSTJZSA-N 448.537 4.671 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC=CO1 1705877488 JDLREKSDKRCGIR-OAQYLSRUSA-N 435.959 4.921 30 10 IJEE C[C@H](NC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1706847975 DVCMKBCJUPVZSV-UQBPGWFLSA-N 431.588 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nc2c(s1)CCCC2 1722276121 GYMWBQCOZCKLGF-ICSRJNTNSA-N 433.625 4.856 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCCCC2)C1 1722308420 NATCSRTZVGDEJG-FQEVSTJZSA-N 440.563 4.900 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cccnc1OC 1722403995 MBRZHZYMOURAJC-UHFFFAOYSA-N 447.539 4.724 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nc(C(C)C)cs2)CC1 1722562833 MUDVAKISRXDUTQ-UHFFFAOYSA-N 439.585 4.747 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722609178 AEOJTJRQFYSLJK-QZTJIDSGSA-N 448.976 4.694 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722613441 XRRZSIHULCKFHW-CABCVRRESA-N 437.407 4.598 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCc1ncc(CC)s1 1722636929 NUCYKTBQNATTJU-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)N(CC)CC)cc1)C1CC1 1722646724 UVOAFDOXHZBAIE-UHFFFAOYSA-N 433.556 4.532 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCC2(CC1)C(F)(F)C21CC1)C(C)C 1722664621 DKMXFFRMYSAJJC-LJQANCHMSA-N 433.591 4.555 30 10 IJEE CCCCn1cc(Cn2c(CCCc3ccccc3)nnc2N2CCC(C#N)CC2)c(C)n1 1728073053 CNOUVBSSHWWWFC-UHFFFAOYSA-N 445.615 4.547 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1740558458 FKZPJOJFTVVZGM-JFJYTDJESA-N 445.032 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC1(COC)CCCC1 1740648209 DMHWXZBKHKAMPG-UHFFFAOYSA-N 444.623 4.808 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cccc(NC(=O)CC(C)C)c1 1740731874 KHCJBSVMPLKVSJ-AREMUKBSSA-N 435.616 4.892 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(F)cccc1SC 1740769570 ZDCHIQIBTIYWJJ-QHCPKHFHSA-N 448.608 4.630 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740804733 GOBHFIAGNJRCPZ-DLBZAZTESA-N 449.983 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1740851766 BTFGLFKEKCDSGE-NRFANRHFSA-N 449.603 4.509 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H](C)c1nccs1 1740915164 WMNFWNXSGBSTFR-SFHVURJKSA-N 443.580 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)ccc1OC 1740923261 HWBMASXZKFQOMR-QGZVFWFLSA-N 442.560 4.622 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740944076 OGJHCVOBHASLHJ-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740945344 ZWGCONFXOBLCNB-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2oc(CCC)nc2C)C1 1740976350 VYNHJAKKIBTNCW-LJQANCHMSA-N 441.963 4.677 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(C)CCCS2)C1 1740986369 YXSMGPWDTNWBJV-CVDCTZTESA-N 444.670 4.946 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCc2ccccc2OC(F)F)C1 1741982997 DEJFKFFPWDIJSK-QHCPKHFHSA-N 429.515 4.910 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC(C)(C)C(F)(F)F 1748688148 YXJHACZDSDFZLT-AWEZNQCLSA-N 426.508 4.625 30 10 IJEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)c1cccs1 1748710470 QSHLRCJXCOIPBQ-INIZCTEOSA-N 432.553 4.656 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCSC2(CCCCC2)C1 1749029751 WLZDGGFZNWALGZ-UHFFFAOYSA-N 430.618 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)[C@H](C)CC 1749150306 TWCCEUFWQBMFAH-IIBYNOLFSA-N 435.410 4.907 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1C 1749424698 NXPLYNQKPXFZJO-UHFFFAOYSA-N 446.555 4.569 30 10 IJEE C=CCCCn1c([C@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1749426737 GNRSFQSOMHSSSF-FUHWJXTLSA-N 437.357 4.658 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1749433326 GFTRQARCTPZEEI-LJQANCHMSA-N 431.378 4.537 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749447336 CIQHMAOKEYSISA-HXOBKFHXSA-N 432.515 4.908 30 10 IJEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](SC)C(C)(C)C)C1CC1 1749519659 OTPQEFVKBCDINW-UXHICEINSA-N 428.602 4.723 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1749754023 DSXGNRIBMLKOEL-LEWJYISDSA-N 428.602 4.789 30 10 IJEE Cc1noc(C)c1CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1751950580 HFTFMEOVWVQRBB-UHFFFAOYSA-N 430.512 4.672 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnc1C(C)(C)C 1760327147 CLRZCZDQEXENCW-GHTZIAJQSA-N 439.560 4.634 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)F)C1 1760351484 HSTQZJIBNDYJCW-IRXDYDNUSA-N 438.494 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCS[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760416523 GLGPIEFADVFLFB-KURKYZTESA-N 449.665 4.593 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1760423344 WPRRYOYMALDSIY-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1760466830 KDWXIMKYSVRIQJ-NRFANRHFSA-N 432.012 4.643 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccnc1)C(C)C 1760480852 HIIMWMWEFHFDAZ-BJKOFHAPSA-N 431.584 4.809 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](SC)C(C)(C)C 1760495642 TUKKBCNYNRODBE-VQTJNVASSA-N 428.602 4.747 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(CC)C1)OC 1762149374 AFVHTTNKHDGMLQ-DHLKQENFSA-N 439.604 4.663 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N(C)[C@H](C)CC#N)C1 1762871232 ARZNATORLUMUFP-QZTJIDSGSA-N 429.012 4.847 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1cccnc1 1766849482 APNRLPXSOVGNEU-UHFFFAOYSA-N 428.565 4.585 30 10 IJEE Cc1cc(Br)cc2c1N(CCCOc1ccc3ccccc3c1)C(=O)C2=NO 1772729073 UUTUNLMLTVEIQT-UHFFFAOYSA-N 439.309 4.905 30 10 IJEE Cc1c(N=Nc2ccc(Br)cc2)c(O)n([C@H](C)c2cccnc2)c(=O)c1C#N 1772740601 SELGJAPSDNWOEN-CYBMUJFWSA-N 438.285 4.916 30 10 IJEE N#Cc1ccc(NC(=O)C2CCN(c3nc(O)c4cc(-c5ccccc5)ccc4n3)CC2)cc1 1858551276 ZEVXKPKOADSAKI-UHFFFAOYSA-N 449.514 4.729 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCOc3ccccc3C)cc(C)c2c1 1859657233 YTBIARHTJSWTLE-UHFFFAOYSA-N 439.519 4.933 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(NC(=O)C(C)(C)C)cc3)c2C#N)C1 1860135806 XYHQEIWFCLYTDA-CQSZACIVSA-N 425.554 4.747 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1Cl 1862380799 LPGWVVZFRRNHNX-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862584337 WKOJWJRWPZWTSD-MLCYQJTMSA-N 436.291 4.781 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862598787 ZLAQPQXFLPYYNV-XORNHQRDSA-N 435.520 4.948 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862720154 WYTRUTNEMWJYRL-NRFANRHFSA-N 449.890 4.972 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1Cl 1862750087 DJGMMTIHTTYCEG-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2cc(Cl)ccc2C)C1=O 1863050308 BNUKAGVYKOISKD-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)cc3)C2=O)cc1 1863269898 YSJLQDKTDQNBJK-GOSISDBHSA-N 437.499 4.829 30 10 IJEE COc1cccc2c(O)cc(C(=O)Nc3ccc(C#N)cc3C(=O)c3cccc(C)c3)nc12 1866492106 HANAKBWXPGAUSW-UHFFFAOYSA-N 437.455 4.612 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870416947 WOFPIEKRJGDXRD-OYRHEFFESA-N 442.600 4.561 30 10 IJEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870456989 UABJVIKHXJHLQZ-RTBURBONSA-N 430.976 4.623 30 10 IJEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870540728 KVNDTVNCNWEVTP-FGZHOGPDSA-N 436.637 4.622 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN(CCC)CCC 1870569021 ZFNFJUAOKPPMCO-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870808808 BWLAVOLUPKWPFL-UHFFFAOYSA-N 444.491 4.657 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1871767733 GPLWCTDGLPAOPO-QHCPKHFHSA-N 438.524 4.691 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cccs1 1872056742 SEQCQQUCZFTLRX-IBGZPJMESA-N 438.590 4.816 30 10 IJEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872762952 APHJQRNMNQSUHF-IBGZPJMESA-N 437.477 4.762 30 10 IJEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(Cl)cc3)n2)c(C)c1 1872786408 JKPVVQBQOUGZNR-GOSISDBHSA-N 437.952 4.995 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCCN2CCCC2)C1=O 1873104254 QUYJUPDOAAKSBT-UHFFFAOYSA-N 439.644 4.901 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(F)c(F)c4)CC3=O)sc2C)cc1 1873530072 ZBZAKJVKDFRSFO-UHFFFAOYSA-N 427.476 4.512 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc(OC)c1OC 1874300251 LLUKAMYRFJMPSQ-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)NC2CCCCC2)c1 1874439432 APUHZBUJHAMDBR-BUVRLJJBSA-N 427.618 4.598 30 10 IJEE COCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(Br)c1 1874472132 NZXKWOJEAMUDBW-WSDLNYQXSA-N 449.349 4.543 30 10 IJEE CCCSc1nnc(COC)n1/N=C/c1cccc(OC)c1OCc1cccc(C)c1 1874502542 MVLJNYNAFIWMAT-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1cccc2ccccc12 1874507700 QATHCGKPKXBAGW-ZVHZXABRSA-N 434.521 4.938 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)ccc1OC 1874567896 WSJVNDSDXNTMJN-PCLIKHOPSA-N 432.549 4.795 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Br)c2)cc1 1875133414 TYWIRAQUPFJPMI-WEVVVXLNSA-N 437.293 4.971 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)c1 1875145314 FYXDGWRRAQWAFA-YRNVUSSQSA-N 448.471 4.836 30 10 IJEE O=C1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3cccc4ccccc34)cc2Cl)=NN1 1875154343 ZOTVZTJGPAUXNA-DHZHZOJOSA-N 432.863 4.561 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Br)c1OC(=O)COC 1875176529 IDCWUFSUGUWPTR-VQHVLOKHSA-N 447.325 4.913 30 10 IJEE CC(C)CN=C1NC(=O)[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 1875685443 DDUKNNODLZIRLP-VWLOTQADSA-N 443.547 4.617 30 10 IJEE O=C(CSc1cccc2cccnc12)NCC#CCOc1cccc(C(F)(F)F)c1 1891395618 ZGAGVGOUWQMHET-UHFFFAOYSA-N 430.451 4.544 30 10 IJEE CC[C@H](C#N)SC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307870 VWLSMXDEORJSFB-VFNWGFHPSA-N 438.549 4.792 30 10 IJEE C#Cc1ccc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1951407233 OMJRSARKDVVNGF-FQEVSTJZSA-N 425.484 4.765 30 10 IJEE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2ccc(C#N)o2)CC1 1952070127 WDXFLBJRRKZSPO-VWLOTQADSA-N 442.471 4.565 30 10 IJEE CC#CCCCC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2019511051 VFXZJXPKTPLSDR-HSZRJFAPSA-N 427.633 4.847 30 10 IJEE N#Cc1cc(Br)cc(N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c1 2044065224 ALMQQNYUITUQQR-MAODMQOUSA-N 440.341 4.922 30 10 IJEE Cc1cc(C)c([C@H](C)n2nc(C3(C)CC3)c(C=NO)c2I)c(C)c1 2080047887 KNTFDZZJFKADCM-AWEZNQCLSA-N 437.325 4.882 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2087653347 UPJKDUYBYJTADJ-ZIAGYGMSSA-N 429.403 4.806 30 10 IJEE C=CCN(CC[C@@H](NCC)c1nc(CCC)[nH]c1Br)C(=O)OC(C)(C)C 2099293896 YWVMBCIFXAVHIU-CQSZACIVSA-N 429.403 4.589 30 10 IJEE CC(C)(C)OC(=O)NCCOc1cccc(Nc2cc(Br)ccc2C#N)c1 2162423483 TURCRTBRIBKPDB-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE CC(C)(C)C[C@H](CC(=O)Nc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C 2181045892 OPIVMBHKCPEAGL-HNNXBMFYSA-N 438.366 4.979 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2235722647 KBAZPVMBSXFAHD-OALUTQOASA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(C)(F)F 2235724873 WDPGFKNWLDEOFL-SJORKVTESA-N 445.348 4.717 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)o1 2235729927 UGNPVFPDZGSMNP-GOSISDBHSA-N 433.346 4.769 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2235731857 RHLQODGQOLMQAC-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2235747740 SGPLNINHMFZMLG-JRBPQWBISA-N 433.390 4.567 30 10 IJEE Cc1cnc(NC[C@@]23CC[C@@H]2CCCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241053365 AVUXOZUMHWIWEC-CUNXSJBXSA-N 447.432 4.546 30 10 IJEE CC(C)(C)C#CC=CC[C@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2256773625 HOWIAILEVWNRRU-QHCPKHFHSA-N 440.628 4.903 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2267171692 NXOBPVBDEHUHHC-ZWKOTPCHSA-N 442.365 4.632 30 10 IJEE CCOC(=O)c1sc(NC(=O)C=Cc2ccc(OC(C)C)c(OC)c2)c(C#N)c1C 2293198118 QZARHTJFLIUTHN-UHFFFAOYSA-N 428.510 4.553 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)C#Cc3ccc(Br)cc3)CCCC[C@H]12 2296274184 SKNXQHAXZSFCFG-PGRDOPGGSA-N 432.358 4.940 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 2296296456 NWJCWXHKVQADDW-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296296925 TWVDDPWKTSKCLD-QLOJAFMTSA-N 435.406 4.849 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2296298024 FVDPEOLWXMELPQ-ICSRJNTNSA-N 437.422 4.966 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O 2296867515 UVVXKQLHJKYCKL-UHFFFAOYSA-N 438.476 4.814 30 10 IJEE CC[C@H](Oc1ccc(C=C2SC(=Nc3ccc(C)cc3O)N(CC)C2=O)cc1)C(=O)O 2314928603 YWQACMVOPZYELC-IBGZPJMESA-N 440.521 4.567 30 10 IJEE O=C(O)CCOc1ccccc1C=C1SC(=Nc2cccc(Cl)c2Cl)NC1=O 2314934054 XSBLTGVYCWILET-UHFFFAOYSA-N 437.304 4.739 30 10 IJEE CC[C@@H](C)NC(=S)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2318776480 ICFHEOPAWVTNCY-MRXNPFEDSA-N 428.989 4.970 30 10 IJEE CC(C)Cc1nnc(S)n1N=Cc1ccc(OCc2ccc(Br)cc2)cc1 2321908014 GLLCQXOJSKLPKU-UHFFFAOYSA-N 445.386 4.989 30 10 IJEE COc1cc(C=NNc2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2322922931 HPNZJFKNJDWNGO-UHFFFAOYSA-N 435.436 4.635 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)COc3ccccc3)c2C)C1=O 2322948813 YLTISRAGMAMKAS-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1cccc(F)c1)C2=O 2323395559 IVITVLHDTVVXJX-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1Br 2323504153 QMRRBLNSNWNSQA-UHFFFAOYSA-N 445.386 4.786 30 10 IJEE COc1cc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc(Cl)c1OC 2323865265 BHVZANRQFRMJND-UHFFFAOYSA-N 430.917 4.885 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325336876 GGTMETFXHFFFFH-KRWDZBQOSA-N 438.520 4.866 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3)ccc2OC)cc1 2325718168 PSPBFCGRYPOARQ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)OCc2ccc(CN(CC)CC)cc2)cc1OC 2325725396 ZHXMWWATCREVIJ-UHFFFAOYSA-N 439.552 4.652 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325740251 WYAFSNMKOHHGJR-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc([N+](=O)[O-])c1 2327460057 ZQOFBYPEZQMVLU-UHFFFAOYSA-N 445.451 4.594 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2328079536 SQVBNDXNMQUSKJ-UHFFFAOYSA-N 428.945 4.799 30 10 IJEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2cc(Cl)c(O)c(OC)c2)cc1 2328568213 IHPUKLLOVPQRLN-UHFFFAOYSA-N 446.960 4.629 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(C)cc1 2329465511 CQEJAHVBCVNXNE-UHFFFAOYSA-N 449.624 4.523 30 10 IJEE COC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(C(C)(C)C)cc1 2329672294 JFAKOOUKRPQEGM-UHFFFAOYSA-N 442.610 4.570 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O 2331044424 GUVPFQBFNKPVGZ-UHFFFAOYSA-N 434.242 4.577 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCC2)cc1 2331499758 NGIFWYDVEANVKU-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CCN[C@H](C#CC(C)(C)OC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2338205445 ICTRBPHJSBPZNF-QGZVFWFLSA-N 425.367 4.875 30 10 IJEE N#Cc1ccc(COc2cc(Br)cc(I)c2)cc1F 2338897962 YQTJVLIXQINGKR-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2c(Cl)cc(F)cc2Br)n1 2362088297 PVARKCPMJIUXSE-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)nc2)OC1(C)C 2365055946 SSKBSNGRANZBEK-KCWPFWIISA-N 445.416 4.685 30 10 IJEE Cc1cc(CNCC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676973 FXIABZXCRWCDGO-RCZVLFRGSA-N 448.460 4.542 30 10 IJEE Cc1cc(CN2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369730031 USYIZJPGFTZQPW-YTFSRNRJSA-N 448.460 4.778 30 10 IJEE C=C(C)CC[C@H](C)N[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376687018 ZRGAPFRITDKOSO-XPTSAGLGSA-N 425.186 4.907 30 10 IJEE COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCC(C)C)[nH]c(=O)c21 9608766 XHRCAWLXWRUXRJ-GOSISDBHSA-N 439.581 4.727 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OCC)c(OC)c2)cc1 21246010 HGJBMPNZNVYZJV-FPOVZHCZSA-N 449.547 4.887 30 10 IJEE CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 21722943 NANCFHJSPAVOAJ-QFIPXVFZSA-N 425.554 4.865 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)c1 33452594 UQSHGAVDWXPVTA-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE C=CCc1ccc(OCCCCn2c([C@@H]3CC(=O)N(CC)C3)nc3ccccc32)c(OC)c1 40251110 DWEUZKJBKVDPKU-OAQYLSRUSA-N 447.579 4.968 30 10 IJEE Cc1cc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc(C)c1Cl 40522817 QPMVOVPUDPRARS-OAHLLOKOSA-N 428.916 4.770 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C4=O)cc1 41659542 LMWKIRWZORPEON-FMCGGJTJSA-N 444.443 4.572 30 10 IJEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(Br)cc3)S2)c(C)c1 100263473 YZPVDJHWMVDBPQ-SLNYWTKHSA-N 446.370 4.656 30 10 IJEE COc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1 103746585 QKJYNEKMXWUKDX-SLEBQGDGSA-N 446.528 4.682 30 10 IJEE N#CCCN(C(=O)CCC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccccc1 111199552 DJCRMLAKZHKAKE-UHFFFAOYSA-N 441.535 4.552 30 10 IJEE CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)C=Cc4ccccc43)cc2)cc1 135976294 PQWLDODPSXNRGL-ULJHMMPZSA-N 446.528 4.935 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OCC(C)C)c1 170040254 OMAXMLHJPCGOCQ-HSZRJFAPSA-N 449.503 4.692 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2)cc1 170053935 QOMGZTWTJKGUDO-XMMPIXPASA-N 443.499 4.525 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(F)cc2)cc1 170062253 LHDXSLPTKUQNCX-LJQANCHMSA-N 438.480 4.691 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)c1 170079102 UOYPHHSDYRUDOW-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC)c2)cc1C 170121552 RPNUXGRNFYHJJM-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 170162788 FJDNLASZPUPABZ-QFIPXVFZSA-N 430.529 4.800 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)s1 170238738 CBBPJFUPWQMBGX-SFHVURJKSA-N 426.444 4.821 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@@H]1CCCO1 170315909 GMVYUVXRIPAJOW-UWJYYQICSA-N 433.529 4.967 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2sccc2C)cc1C 170316684 WQYFGYHUYROXRM-NRFANRHFSA-N 448.544 4.937 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170360524 FSGSNHZQWQQFJM-QHCPKHFHSA-N 443.455 4.597 30 10 IJEE COc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170429423 CJHGBBQIQVIMFK-SFHVURJKSA-N 435.398 4.719 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(O)cc3)sc2cc1C 170451277 RHUGOZBICAWGLX-HXUWFJFHSA-N 446.484 4.995 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170467550 MRXPEBBMOCWWOQ-JOCHJYFZSA-N 435.520 4.880 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C(C)(C)O1 442399786 FHRYDUGARSKZNG-FQEVSTJZSA-N 439.943 4.525 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 446027263 CZAPMUZHSCUAQJ-UHFFFAOYSA-N 434.496 4.506 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCO1 461141765 BWARAPYYTIXBOT-OAQYLSRUSA-N 446.580 4.564 30 10 IJEE CC(C)CCN(CCC#N)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 481446477 KLIDXXRABYWFLX-UHFFFAOYSA-N 429.590 4.924 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 485315624 HOFWRNOWYFCHBW-RUZDIDTESA-N 434.536 4.966 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1 504378823 SFNIWFKNPQBAPL-UHFFFAOYSA-N 431.511 4.549 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(OCc3ccccc3)ccc21 524489220 YKGKKMQKJBSCGO-UHFFFAOYSA-N 441.531 4.767 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(O)c1Cl 526802250 AOLABIXZXRPATK-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1OC 526825465 VJKQMAHWPZXPBT-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE C[C@H](N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 538161909 FGAAZFHXLWDEHD-OLZOCXBDSA-N 437.487 4.727 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCO1 550049411 PWUIZHBEZGTVBY-PXNSSMCTSA-N 443.979 4.771 30 10 IJEE O=C(N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 585827252 WXOMKTBRRMWWNS-PXKFJSDFSA-N 437.754 4.780 30 10 IJEE CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(C#N)cc1F 609254299 HRWXALASXUUWPM-UHFFFAOYSA-N 437.346 4.668 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCOC3(CCSCC3)C2)cc1OC 676355645 DBTVVIVJYGYBEU-MRXNPFEDSA-N 442.419 4.557 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2oc3ccccc3c2C)C1=O 734300062 KHGAXPHJHFLCFV-NRFANRHFSA-N 435.549 4.626 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1cc(Cl)ccc1OCC#N)O[C@H](C)C2 735349037 FCPIUHHEYPDANA-WNYOCNMUSA-N 441.911 4.811 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(N)cc(Cl)c1Cl 747021388 JTQMZUTUOSIRNG-LLVKDONJSA-N 438.336 4.623 30 10 IJEE COc1ccc(-n2c(-c3cccc(C)c3)nn(CN3CCC(C)(C#N)CC3)c2=S)cc1 779879236 JFSNJBICWDTVKW-UHFFFAOYSA-N 433.581 4.970 30 10 IJEE N#CCOc1ccc(Cl)cc1CS[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O 783904287 TWCAMEJEHCECAI-QGZVFWFLSA-N 428.863 4.591 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1/C=C/c1ccccc1 809893443 NXJHJAYRLMZOTG-POICXBNUSA-N 443.551 4.573 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1nc(-c2ccc(I)cc2)cs1 1124580230 JRRAWRDFNRMPTO-UHFFFAOYSA-N 444.297 4.577 30 10 IJEE CN(C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1cc(Cl)ccc1C#N 1126779461 CFOUDHBHNHEZBX-UHFFFAOYSA-N 429.307 4.886 30 10 IJEE C=CC1(CC(=O)Nc2ncc(Br)cc2I)CCCCC1 1127121110 HGILCDQGWJSMGR-UHFFFAOYSA-N 449.130 4.914 30 10 IJEE C#CCOc1ccc(COC(=O)c2cnc(-c3ccccc3Br)s2)cc1 1127967746 QNVJTYHVAWBGFH-UHFFFAOYSA-N 428.307 4.942 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnnn3-c3cc(C(F)(F)F)ccc3Cl)cc21 1134357695 YSODTWRSVBXPGP-UHFFFAOYSA-N 446.820 4.728 30 10 IJEE CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1C[C@@H](OCC)C12CCCC2 1167442729 IFRKKKRSRTUKAI-NHCUHLMSSA-N 429.630 4.887 30 10 IJEE N#Cc1ccc(CN2CCC(NCCc3ccccc3OCc3ccccc3)CC2)cc1 1179314832 GHOYCPBZHPWJON-UHFFFAOYSA-N 425.576 4.934 30 10 IJEE C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OCc2ccccc2)c1 1194057807 CNXQQHMAAMPUEF-RXFWQSSRSA-N 425.532 4.983 30 10 IJEE C=CCN(C(=O)CN(C)[C@@H]1CC[C@@H]1OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1198667659 OZZZHGWWNSQBBJ-MSOLQXFVSA-N 440.396 4.745 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 1254091974 CJRDXHUBLKMIMY-FQEVSTJZSA-N 447.457 4.530 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 1264715785 KJZWAPLCAJPLIL-UHFFFAOYSA-N 427.932 4.957 30 10 IJEE C=CCc1cc(C(=O)N2CCN([C@H](CC)c3ccc(F)cc3F)CC2)cc(OC)c1OC 1265146601 DDOTYEVRWCTYSQ-JOCHJYFZSA-N 444.522 4.620 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(CC)C2)ccc1Cl 1266137743 ZZUBSVCKGZUAQI-QHCPKHFHSA-N 447.000 4.984 30 10 IJEE Cc1cc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c(F)cc1Br 1274925449 BRPBCYQZEDLYQW-OAHLLOKOSA-N 442.329 4.812 30 10 IJEE C#C[C@H](NC(=O)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1275497409 BPOTYISELATKNQ-SFYKDHMMSA-N 434.939 4.839 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](C)CCc1ccc(I)cc1)c1ccccc1 1277181545 UZVVEGVSKHPJMH-OXJNMPFZSA-N 431.317 4.741 30 10 IJEE C#CCCCn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1286357392 IUTLBNRUDPZGJL-KRWDZBQOSA-N 441.576 4.934 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C2CC(C(C)(C)C)C2)CC1 1286473192 YLDQKDCDJRZJLQ-UVKLAMSESA-N 449.643 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CCSCC 1286552293 PKOXNOMUSVQIFT-COPCDDAFSA-N 439.629 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(Cl)c1 1286557901 LBAKIGAZBQMYHQ-CVDCTZTESA-N 437.975 4.535 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1286622029 BGDQZMNFQXKNOV-MRXNPFEDSA-N 441.919 4.753 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1286623396 HLNGUQFVQJEAME-GASCZTMLSA-N 437.769 4.561 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286668913 XFMHZWYDIUMDJQ-KSSFIOAISA-N 448.398 4.569 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC)[C@@H](C)C1)c1ccccc1 1286679815 TXUDMGJKUKGMPN-JTHBVZDNSA-N 430.600 4.539 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286691870 STINRPHOMOGTCR-YKSBVNFPSA-N 442.629 4.619 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2sccc2C1 1286707520 FBIZLRZEECXQGF-UHFFFAOYSA-N 446.523 4.763 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@@H]1OC)C1CC1 1286732943 JXTJGQXYAARHSA-LIRRHRJNSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1Cc1oc(CC)nc1C 1286739174 RXLCSNRMLPCAOT-UHFFFAOYSA-N 447.539 4.955 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H](CC)N1CCCC1 1286742458 PNOUAJRHCZOLEG-HSZRJFAPSA-N 434.632 4.805 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCCC[C@H](SC)C2)cc1 1286795469 BNVFILZOMIYXPG-UNMCSNQZSA-N 442.629 4.507 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCSC2)C1 1286813429 UVTTYDDRPSXBJU-WOJBJXKFSA-N 444.670 4.803 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1293346435 CEEPHSOSIZZRNK-VYDXJSESSA-N 434.371 4.807 30 10 IJEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(C)C)cs2)CCS1 1293540572 FSCUEUQNOZCZKK-SFHVURJKSA-N 438.626 4.777 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 1299051094 YMBXWZGOBBUJKF-MRXNPFEDSA-N 447.885 4.539 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 1299171505 ZNGKEIBHIWXJIJ-ZDUSSCGKSA-N 439.350 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCS1 1300276000 DSRYXWYHFVSGLE-DJJJIMSYSA-N 437.382 4.590 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCCC2(C)C)c1 1300334601 RFKWOIVCKSTSGG-HXUWFJFHSA-N 435.616 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1300790741 VYDZBSFXUUAOTH-RPWUZVMVSA-N 438.959 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1300876338 SDPKAUYKBZFHDG-QJTMGCRJSA-N 444.645 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCC[C@@H](C)C1 1300900063 MLWNJLRIHVNJMP-UXHICEINSA-N 429.584 4.692 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1300956555 AREVNLWTKIYSNF-QGZVFWFLSA-N 429.977 4.521 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 1301002013 RRLBHPAFPAHWBA-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1301050357 OZLSVZLNZVCQGF-UHFFFAOYSA-N 445.951 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301159786 GIRMHJQWPYUPGP-DENIHFKCSA-N 426.605 4.883 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301231717 NCOMRWCJTNACFF-QGZVFWFLSA-N 442.951 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1Cc1sccc1C 1301337525 HVKULPBKCOLOJS-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](OC)C(C)(C)C 1301415579 WRCJLSUESDZIRV-GOSISDBHSA-N 441.403 4.952 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C(C)C 1301611685 FYBHIZKZBWDFRS-SFHVURJKSA-N 437.654 4.547 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1301959119 CYXBYORXELVCQS-JSVDNDDVSA-N 431.943 4.539 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)s1 1306001616 AQZBFZYJTJRGNO-KRWDZBQOSA-N 438.601 4.910 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1 1313125819 LGJVFZCZWNMEDT-MRXNPFEDSA-N 435.615 4.902 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OC 1356304290 FNMGTXOZDKEHRY-UHFFFAOYSA-N 430.298 4.871 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)Cc1cccs1 1358871054 ZEOKMQNBLNSMRZ-QFBILLFUSA-N 435.597 4.545 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SC)c1 1358872650 XDHSONRNFDFBSC-CVEARBPZSA-N 441.988 4.695 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1 1358899992 YTAAJVKAGXBOPF-VFNWGFHPSA-N 447.029 4.651 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1Cc1ccnc(OC2CCCCC2)c1 1359010986 HKAVUVCHVCZKBE-UHFFFAOYSA-N 447.558 4.622 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1Cc1c(C)coc1C 1359017965 YNIHUJSGEHOVNW-UHFFFAOYSA-N 449.555 4.671 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1359121461 PWYNTLWEYBYUEQ-RTBURBONSA-N 436.478 4.693 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1nccs1 1359145083 FPDSBTFWEBXNBT-UHFFFAOYSA-N 430.784 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1359186897 WLOKBTISSYWTHB-HXUWFJFHSA-N 448.571 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359189149 CCANYSMKNBPSNV-PLMTUMEDSA-N 430.543 4.611 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1359222369 GVVRBGKIEVFSTK-PWIZWCRZSA-N 430.980 4.756 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1359224465 RZLGPZYAOSHRIK-RXVVDRJESA-N 437.975 4.969 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCO1 1359261874 YQKGSXYTSVPIPL-FQEVSTJZSA-N 426.561 4.831 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1OCC[C@H]1C 1359276825 RENMPNBWZAGLOP-DYESRHJHSA-N 426.948 4.852 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2nnn(Cc3ccc(OC)cc3)c2C)C(C)(C)C)cc1 1435953327 JPCIGYCOACFELG-UHFFFAOYSA-N 448.567 4.649 30 10 IJEE C=CC1(CC(=O)NCc2cccc(COc3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 1442009856 SAKLRVOKEVZDEK-UHFFFAOYSA-N 436.552 4.695 30 10 IJEE C#Cc1ccc(C(=O)N(CCOc2ccc3cc(Br)ccc3c2)C(C)C)cn1 1444994074 GCTMNNUZIMXZFP-UHFFFAOYSA-N 437.337 4.908 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(CCCNC(=O)OC(C)(C)C)cc1 1453349248 UGHCVGYNDWOHCG-UNMCSNQZSA-N 430.589 4.774 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1)c1ccccc1 1456316782 GHCLLZNNECAKPV-DHLKQENFSA-N 434.580 4.573 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)cc21 1456533689 MYAAUEQVBXJGDZ-UHFFFAOYSA-N 432.524 4.768 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 1457087714 DVTYWGLMKBYXMK-KDYSTLNUSA-N 439.559 4.778 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cccc(Cl)c1Br 1459842973 ARMJBRJKEIBUCS-CYBMUJFWSA-N 430.730 4.628 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1461936745 VTIGNCXGKSQZTL-SFHVURJKSA-N 436.335 4.739 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(OCc2ccc(F)cc2F)c1 1462208193 BJWWQQJXJJGIHQ-UHFFFAOYSA-N 435.518 4.979 30 10 IJEE Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)cc1C 1466242331 HVTGEJUVQMRKHK-DEOSSOPVSA-N 447.560 4.879 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)Cc3ccccc3Br)n[nH]2)c1C 1467441260 LCRYXECJWKTYFD-UHFFFAOYSA-N 442.361 4.501 30 10 IJEE C#C[C@H](NC(=O)N(C[C@H](O)COc1cccc2ccccc12)C(C)C)c1ccc(F)cc1 1470657618 PDOVPQUUMQFZTN-UPVQGACJSA-N 434.511 4.513 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3c[nH]c4ccc(Br)cc34)n[nH]2)c1C 1471838669 ZRMLCAWOGJFHPU-UHFFFAOYSA-N 439.317 4.572 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)C1 1472791830 ARDGFHRRZCZUFJ-DLBZAZTESA-N 438.494 4.836 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc1 1475011742 RPUCHLXCBVVEDN-JOCHJYFZSA-N 429.582 4.685 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)CCCC1 1475830035 CYMCHRRGZGAWRY-UHFFFAOYSA-N 426.586 4.905 30 10 IJEE COCC1(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@H](C)C#N)CCC1 1504630038 HVTPQCCXGYLNHF-IAGOWNOFSA-N 427.618 4.544 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)(C)C)CC1 1507558336 QIJRHXXHTFDONX-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(CN(C)CCCC)CC1 1507586036 SVVAXYGRPPWUSK-UHFFFAOYSA-N 428.024 4.960 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC1CCCC1 1507797251 RSITUTAOHQSGJT-AUSIDOKSSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC1(C)C 1507809108 SPBSCXRCGKHKPJ-DYESRHJHSA-N 430.980 4.871 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCN(CCC)C1 1507814338 BPVXYQVJKVCMAL-HXUWFJFHSA-N 434.588 4.734 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(Nc3cccnn3)CC2)nnc1C(C)(C)C)c1ccccc1 1507930659 YVXJCQVBHYSMPY-NRFANRHFSA-N 445.615 4.806 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@H]1CCCO[C@@H]1C(C)C 1507999989 SVEKQJOREFARPO-ILBGXUMGSA-N 433.600 4.746 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1508004051 IQDVCOJBWDXXEE-FHWLQOOXSA-N 447.505 4.715 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1Cc1sc(C)nc1C 1508007610 DLWPLKPCVWDEFJ-UHFFFAOYSA-N 448.571 4.717 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(C#N)c1)N(C)C 1513285271 BGWFDSBEJWUCHG-QFIPXVFZSA-N 434.588 4.721 30 10 IJEE C#CC[C@]1(C(=O)N(C)c2ccc(C)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1523676785 MDUBCFRCQVAXSU-OAQYLSRUSA-N 435.362 4.513 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(Cl)cc1 1525038683 NLSCRCFSDTVCGU-HYBUGGRVSA-N 430.935 4.836 30 10 IJEE C=CC[C@@H](OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 1530228999 ISBIKVJLEHLHGO-GCJKJVERSA-N 447.318 4.621 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccccc1 1537447747 KNKHJOJMJSZYJO-HJFSHJIFSA-N 437.348 4.586 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1538971736 FANRXWHRTADGSR-QRVBRYPASA-N 428.024 4.813 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccc(OCC)cc2)c1 1539563673 VJGZJJWEJHVWKO-UHFFFAOYSA-N 449.528 4.927 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(C)C)CC1 1539578643 AYZKPPVJWMVOMU-HXUWFJFHSA-N 446.437 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1539632284 QNNUZWZWJJYBNQ-BWKNWUBXSA-N 437.632 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1 1539636529 LBGRQXBTGZUHOI-NWSQWKLXSA-N 444.620 4.567 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1c(F)cccc1F 1539742837 LJRBGLKJQFMMJQ-UHFFFAOYSA-N 427.499 4.546 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1539939915 LTDKVUVQBPNZDV-FYYLOGMGSA-N 431.584 4.951 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)c1ccccc1 1539948809 SDIMUPIFSCILAX-QHCPKHFHSA-N 449.643 4.774 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539961484 WPYKVJFTKAFZEX-FQEVSTJZSA-N 448.615 4.536 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1540854283 WGAPDGZIWGBLEF-FGZHOGPDSA-N 444.583 4.565 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCc2cccs2)CC1 1540855350 OIPCAWHUHFHDIK-UHFFFAOYSA-N 435.641 4.855 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1540920019 LMRZCZXDRLOSTA-HZPDHXFCSA-N 439.050 4.760 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2cccs2)cc1C 1542471791 FKGBXBJBMRLNBY-XMMPIXPASA-N 435.597 4.908 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Sc2ccccc2)c1 1543182858 QNJOORBLMKVZBO-UHFFFAOYSA-N 435.570 4.565 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccnc(-c3ccccc3)c2)nnc1-c1ccco1 1543717374 LMIQRHLNTDGUDB-UHFFFAOYSA-N 445.548 4.585 30 10 IJEE C=CCn1c(SCc2ccc(Cl)cc2OC)nnc1[C@@H]1COc2ccccc2O1 1559333280 LPZGQNMINILHST-IBGZPJMESA-N 429.929 4.931 30 10 IJEE C#CCN(CCOc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1560142976 LGRSXZYMERZDPL-UHFFFAOYSA-N 427.372 4.707 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 1567637293 NAFWBMLSUBPKGR-AREMUKBSSA-N 440.543 4.790 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 1583506839 YPUGKIPNPKMRRA-AWEZNQCLSA-N 447.304 4.535 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1588063104 IVSFJFDFNGCJLN-MRXNPFEDSA-N 425.367 4.733 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCC[C@H]1CCCCO1 1588550369 OXUSQIOZVAVCOT-DHIUTWEWSA-N 440.563 4.648 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC 1589506346 VDAXHVZDPIHSBX-DYVFJYSZSA-N 439.785 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1 1589669502 XMIWWLJKTKWQFM-QFIPXVFZSA-N 431.005 4.894 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2Br)CC1 1594064833 UALNRKZWMHHONT-UHFFFAOYSA-N 440.370 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1594503950 BCDCTDYFXFSKRH-WIYYLYMNSA-N 428.024 4.798 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC(C)(C)C1 1594608973 ZVUJSEVCPXDOMK-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C)C1CC1 1595034337 ZQWJKFPEEBVXTN-FQEVSTJZSA-N 439.604 4.966 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1cccc(F)c1)C1CC1 1595038386 VWGVWZMVRHJIQR-OAHLLOKOSA-N 427.911 4.755 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@](C)(O)c1ccsc1 1595084175 IEIFXMOGKHGCBK-MHECFPHRSA-N 435.597 4.825 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H](C)CN1CCCC1 1595133012 BLPADEATIOLEEM-NFBKMPQASA-N 441.595 4.583 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 1597299649 VLJIMRMZBUTVDG-LBPRGKRZSA-N 425.259 4.916 30 10 IJEE Cc1cc(C(=O)COc2ccc(C#N)cc2Cl)c(C)n1C[C@@H]1COc2ccccc2O1 1613398413 GAXQUQPNFATAOA-GOSISDBHSA-N 436.895 4.732 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3N(C)CC[C@@H]2C)n(Cc2ccccc2)c1C 1615899003 AHFXWGUVZRLWKA-IBGZPJMESA-N 441.579 4.698 30 10 IJEE C#CCN(C(=O)Nc1cccc(OCCCC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1622939995 VBNLBCRWHFUDEW-UHFFFAOYSA-N 429.561 4.732 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc(-n3ccnc3O)c2)cc1 1626422530 KQRQFIFSZAHSFO-UHFFFAOYSA-N 426.432 4.503 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(O)(c2cccc3ccccc23)C1 1631617611 LZHHWXRDSAARPG-UHFFFAOYSA-N 427.422 4.767 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(Cc3cccc(OC)c3)CC2)CCCN1C(=O)OC(C)(C)C 1632152895 HBLDOFMGQFQIJX-AREMUKBSSA-N 442.600 4.822 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4cccc(C)c4)c3)cc21 1636357616 BXVIPBBNUCUQSB-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE C#CCN(C(=O)c1ccc(-c2ccc(CC)cc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331250 PHEOFEHDNYEWPV-UHFFFAOYSA-N 436.552 4.984 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCC[C@H](c4ccccc4)CC3)ccc2c1=O 1639589724 SXBNZVRHSJKWJI-AZUAARDMSA-N 433.577 4.718 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 1639817796 YETBRQYWPOCHHD-NRFANRHFSA-N 432.383 4.851 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 1641656498 IWQJDCXIQYUOQB-UHFFFAOYSA-N 431.511 4.747 30 10 IJEE CC[C@H]1CN(CC)CCN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1643086338 HJZFBIVYDZXCAB-ROUUACIJSA-N 430.662 4.515 30 10 IJEE C=CCn1c(S[C@H]2CCCN(Cc3ccccc3)C2=O)nc2sc(C)c(C)c2c1=O 1643464875 SHYNZHFSVWNPAR-SFHVURJKSA-N 439.606 4.544 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)c2c1 1644051583 GSHHDUHEWKEMNH-JOCHJYFZSA-N 435.499 4.927 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cn(-c4ccc(Br)cc4)nc3C)cc2n1 1645275900 LDFMHWVSBDLTAS-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE C=CCNc1ncc(C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)s1 1645984463 CKLCVSKWHIMJBW-QGZVFWFLSA-N 448.633 4.630 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1648683347 DBVMLLSSQIKCIN-OAHLLOKOSA-N 436.961 4.624 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12)c1ccc(F)c(F)c1 1655030833 BTBIDYRDQNGZKX-LJQANCHMSA-N 438.883 4.771 30 10 IJEE Cc1ccc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)c(OC[C@H]2CCOC2)c1 1655244520 DKQLTCRDDAAVAB-IBGZPJMESA-N 430.552 4.820 30 10 IJEE C=CCN(C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@H](Cc1ccccc1)C(=O)OCC 1658259742 NKQYZNYTCAYJSQ-XZOQPEGZSA-N 444.616 4.686 30 10 IJEE C=CCOc1cccc(CNc2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)c1 1658567160 NENQAIJZMDSICG-VFOTVIGXSA-N 440.609 4.967 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)c1 1658978835 CSRLDFWSFIUWJK-NVXDSCFRSA-N 434.536 4.921 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1C#N 1666653497 FOXKFAMCBKRVOH-UHFFFAOYSA-N 435.406 4.855 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 1667621382 IABCPBLZZLIEND-QGZVFWFLSA-N 440.544 4.505 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 1667941456 ADWVODCHLSQYQR-OAQYLSRUSA-N 444.325 4.637 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)c1 1668736338 FZMIPUMTBMRISI-HXUWFJFHSA-N 429.467 4.965 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 1672205832 BIXWTWWISDBCJV-PMACEKPBSA-N 428.374 4.514 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 1674221465 KCJHWJUEWKLHAB-CMKODMSKSA-N 429.561 4.799 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CC1 1674482171 NXJNAVMGOLOSIW-UHFFFAOYSA-N 439.409 4.967 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCC3(c4cccc(Br)c4)CC3)cc2n1 1680698247 DWEKLVRIPVRNEU-UHFFFAOYSA-N 425.330 4.838 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(OCCCOc3ccccc3)c(Cl)c2)CC1 1680815100 MOWYFDCHEFXJJT-UHFFFAOYSA-N 442.943 4.570 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(F)c(F)c1 1681551888 JDTKQRPPHBZNNJ-SJORKVTESA-N 445.457 4.526 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccc(F)cc1 1682584826 SEMVAINWVLIGLJ-NRFANRHFSA-N 437.515 4.687 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccs2)CC1 1689881262 LFXLYSASBXSRJT-UHFFFAOYSA-N 425.989 4.790 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1690032705 HJFSXLIPNQNHGC-RMTZWNOUSA-N 445.655 4.651 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C(C)C)N1CCCC1 1690059262 MTDFIUIIBBXNDR-XZOQPEGZSA-N 437.632 4.615 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCCC[C@H]2C)CC1 1690382330 KUJCRCBCKFGMNE-JOCHJYFZSA-N 448.615 4.540 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1690399011 LIMCXGYVBATUQR-PXNSSMCTSA-N 445.405 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690399013 LIMCXGYVBATUQR-YLJYHZDGSA-N 445.405 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1690402997 YDPFVXODGRWUSI-HKUYNNGSSA-N 444.551 4.512 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](OC)C2CC2)CC1 1690404471 FGJDQEDHFIIDKE-HXUWFJFHSA-N 445.405 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc(F)cc(F)c2C1 1690419424 ROFOOFQJIZEUEG-UHFFFAOYSA-N 445.558 4.640 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1690445019 QABRBXNTDAFKLR-RTBURBONSA-N 432.490 4.841 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cc(C)on1 1690476649 KQOXBXBLIVANCH-UHFFFAOYSA-N 446.349 4.615 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(C#N)C1 1690737670 SPPQCUDSFAUDIJ-OAQYLSRUSA-N 431.993 4.656 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1691160432 ATODASSEFVSHET-NBGIEHNGSA-N 438.620 4.817 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCc2sccc2[C@H]1CC 1705537489 HMPZPXWWXTWMNW-OAQYLSRUSA-N 436.581 4.854 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1 1705617682 DMFWHVUAKWFDHF-UHFFFAOYSA-N 446.064 4.805 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1705690265 PJLNHVYLEYPEER-QZTJIDSGSA-N 447.377 4.781 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2nc(C)cc2C)CC1 1705762731 GVUDIRMAYWDVDU-HXUWFJFHSA-N 438.551 4.617 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CC(C)C)C1)c1ccccc1 1705794996 AGRQEGDSWPAMQU-GMAHTHKFSA-N 435.616 4.746 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCC1(C)C 1705859353 PODMYAMYPZJXJD-BKMJKUGQSA-N 438.616 4.949 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705862588 PFINDTXYHXLRTK-RTWAWAEBSA-N 448.590 4.792 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)CCc2cccs2)cc1 1705909683 FEIWBOXIIXSRHI-UHFFFAOYSA-N 431.565 4.694 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Oc2ccc(Cl)cc2)C1 1705926154 YVYWNPIXMPEOHO-PXNSSMCTSA-N 432.996 4.769 30 10 IJEE COc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CC2(C)C)ccc1OC(C)C 1711649820 IEGSSJJQSJRTRO-KBMIEXCESA-N 437.588 4.917 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1722349742 ZDHHFWTVPCMALH-QFIPXVFZSA-N 446.599 4.522 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCSCC(C)C 1722376346 MSZQBDCYXCPFNE-UHFFFAOYSA-N 431.609 4.654 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)C)C1 1722477736 KZQNDXOFVNXVPW-KRWDZBQOSA-N 446.393 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)cc1F 1722509083 LOAGPSIZVVUASV-GCJKJVERSA-N 444.551 4.826 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1722520518 VZUNJSPPEKIXIS-SJORKVTESA-N 447.986 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CO)CC1 1722586078 RWROSSOHYNQARK-KRWDZBQOSA-N 428.646 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(CCC(N)=O)CC1 1722587224 HLOGLAPSBMAPDK-UHFFFAOYSA-N 446.599 4.578 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CC1(c2ccc(F)cc2)CCOCC1 1722661487 HKJHAQUMNKLYRU-UHFFFAOYSA-N 426.561 4.728 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(Br)s1 1722670860 BAYQGYCRZMAYPJ-INIZCTEOSA-N 437.407 4.765 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C 1722673467 SVBSMZXUGISAOE-LEWJYISDSA-N 428.646 4.795 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722703408 ONSYXFBEESXFNJ-PKOBYXMFSA-N 443.979 4.524 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)CC(C)(C)C1 1726670138 COTHKNYTRYPLJP-MZNJEOGPSA-N 435.597 4.658 30 10 IJEE CO[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1729863741 BNZBAMDWJYYBMJ-BTYIYWSLSA-N 447.967 4.926 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCc2ccccc21 1740603051 FDRYAUGSEAQLCA-OAHLLOKOSA-N 427.371 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1ccc(C)cc1OCC(F)(F)F 1740645709 KRFAMIFFHAVEIS-SFHVURJKSA-N 432.490 4.552 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC1(CCOC)CCCCC1 1740732842 RWHPVJYPMBVFMF-RUZDIDTESA-N 438.591 4.987 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1Cc1ccc(Cl)s1 1740734785 OEAUXEMWYHHTOS-OAQYLSRUSA-N 430.936 4.752 30 10 IJEE C=C(C)Cn1c(N(Cc2ccco2)Cc2cccs2)nnc1[C@@]1(OC(C)C)CCOC1 1740784930 CSFJGIFLKHTEOX-HSZRJFAPSA-N 442.585 4.756 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1740790498 ZPRPYCGQHKVHEO-JOCHJYFZSA-N 435.572 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1740895355 YCHGAVHHGBZIMJ-LJQANCHMSA-N 432.515 4.800 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1740911642 DPDLFMJQOGIDIQ-OALUTQOASA-N 443.586 4.670 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740919302 BDDVRIOWTCUYNT-GOSISDBHSA-N 445.583 4.894 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC(C)CC1 1740935152 CUNLIYPWSYONLZ-QHCPKHFHSA-N 444.627 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCSC1(C)C 1740939398 WZRAKYGJXNHHEB-HNNXBMFYSA-N 439.000 4.908 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1740975154 MOJUHHKRFNACGI-FPOVZHCZSA-N 441.526 4.814 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1CCCC[C@@H]1C 1748657798 JMDRODONLXGRMZ-RTWAWAEBSA-N 430.600 4.606 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1748701676 NSVWCMSRQQTHOY-JTHBVZDNSA-N 446.599 4.774 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1748710314 MEWCJXIBSBSTCM-UHFFFAOYSA-N 436.991 4.943 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1748726053 AJGUJGGRDXRZSK-UHFFFAOYSA-N 448.640 4.800 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cc(C)ccc1OC 1748775789 WADSYOPAFKNFIA-SFHVURJKSA-N 434.609 4.761 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(CC)s1 1748859485 VEMJSHZVUJUEHZ-UHFFFAOYSA-N 441.025 4.969 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749098607 HJPOCTYMQNDFCE-ZWNOBZJWSA-N 433.247 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)c1ncc(C)s1 1749149304 ZDPDMGUEILRHLY-MRXNPFEDSA-N 439.585 4.687 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749353854 BXYUPZNOYJEUDP-GMAHTHKFSA-N 437.632 4.727 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCn2cc(C)nc21 1749383582 AFLUJSJEVACFPR-OAQYLSRUSA-N 433.604 4.914 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C)C1 1749401916 FVPXTXXJAGRNQQ-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1749404056 QGLLYKAVKNGWRY-UHFFFAOYSA-N 447.558 4.859 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1csc([C@H](C)OC)n1 1749465522 FTMMYFHDAIOQID-ROUUACIJSA-N 441.601 4.869 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccs1 1749538236 FWSJNDZYWSKTDK-UHFFFAOYSA-N 432.597 4.911 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCC1(C)C 1749540796 BVECQCPULLLOSW-IBGZPJMESA-N 427.568 4.574 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1749641099 WIPWKDGQCNSAGS-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1749746975 RFAJNQRHCWDUIY-UHFFFAOYSA-N 436.581 4.865 30 10 IJEE C=CCSCCn1c(CC)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1749758600 UHIFRZHAZQVLLC-QGZVFWFLSA-N 427.401 4.644 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1760404989 OSUXQVKJWLPWEJ-UHFFFAOYSA-N 449.521 4.798 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1760410511 HKLYPPZRQBCLFC-UHFFFAOYSA-N 446.599 4.973 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1760417865 JTJKGYFZBLFDSK-NRFANRHFSA-N 446.599 4.879 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](c2ccco2)C1 1760451581 NDMCWPRJOSQDHN-IBGZPJMESA-N 426.948 4.702 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1760514235 YKBZCPUALYKFAW-NRSPTQNISA-N 437.588 4.919 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(CCC#N)CC1CC1 1760973679 BBDSKDKTWFJLBB-SIKLNZKXSA-N 425.552 4.665 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1CCc1nc2c(s1)CCCC2 1761076715 HKKOUDPRDDHXOM-UHFFFAOYSA-N 449.628 4.684 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](F)(C#N)C1)OC 1764045368 CKEDUQAFRRECDP-CYFREDJKSA-N 439.535 4.975 30 10 IJEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2c(C)nn(C)c2C)CCCC1 1764408133 FOBPQLAPSDSZHU-UHFFFAOYSA-N 431.588 4.774 30 10 IJEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1768777127 HFPZMAFHQPNTOG-QHCPKHFHSA-N 425.602 4.641 30 10 IJEE CSc1cccc(F)c1Cn1c(-c2cccn2C)nnc1N(CCC#N)CCC(C)C 1770493601 BPPFVRPIOFAYLO-UHFFFAOYSA-N 440.592 4.959 30 10 IJEE Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4oc5c(c4C#N)CCCC5)cc3C2=O)c1C 1859482162 BUWZEASZOSRBMP-UHFFFAOYSA-N 439.471 4.700 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2)c1 1860672299 NFALTJUOCRCMAI-UHFFFAOYSA-N 440.474 4.775 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861192081 BKLPMUQVHBVEOZ-GJZUVCINSA-N 447.639 4.799 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)c1 1862432098 WNOSAUMZRGEYJU-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1862433835 MOLZSLHIVSFTNB-LJQANCHMSA-N 427.884 4.663 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862445617 ZSKJAYHXHBPUGJ-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862447445 QMHGMADIYBDUES-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)ccc1F 1862504651 YWAOEFVCRGXWCF-XMMPIXPASA-N 444.506 4.979 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1C(=O)O 1862519555 MYPVBETUGDCILX-OAQYLSRUSA-N 437.492 4.552 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Br)c2)=C(O)C(=O)N1CC(C)C 1862524152 YBSBLFUCAWONNL-IBGZPJMESA-N 428.326 4.992 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(N(C)C)cc1 1862559482 PFFUKPSEHQPPPY-BXKMTCNYSA-N 441.531 4.674 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)C)cc1 1862560110 FDNNZKHKNIGIDI-DEOSSOPVSA-N 449.595 4.702 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862596495 UQOZOGZKIUJSGX-JOCHJYFZSA-N 444.512 4.756 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC)cc1 1862665560 JSRABSFLBWBVAG-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862981546 UHQJBSDTSNQVCT-UHFFFAOYSA-N 448.482 4.615 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(N4CCCC4)cc3)=C(c3cccs3)C2=O)c1 1863113457 SZETUHUHTBQQNI-UHFFFAOYSA-N 440.528 4.617 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)C3CCCCC3)cc2)=C(c2ccc(C)cc2)C1=O 1863272422 UWOVVUJWSGGHCG-UHFFFAOYSA-N 443.547 4.892 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc3ccccc3c2)n(-c2ccc(OC)cc2)n1 1870001773 SNNHWBKMFAMLRF-UHFFFAOYSA-N 439.519 4.860 30 10 IJEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)/C=C/c1ccccc1 1870107982 JNIGDTNNTCFEFT-RMKNXTFCSA-N 432.698 4.810 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCc2ccccc2C1 1870348073 HXKXILCRMAYCQE-UHFFFAOYSA-N 441.575 4.903 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1870838684 OZTQMVZYDOZPTL-UHFFFAOYSA-N 441.616 4.792 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2C1=O 1871436333 VPFIFVIWLCNHMU-XLFQKYORSA-N 440.455 4.589 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)NCc1ccco1 1871444943 CUQWOWDLUVNJMR-ZBKNUEDVSA-N 444.270 4.898 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)nc(Nc2ccc(N(C)C)cc2)[nH]1 1871694405 DXVCRLZMWDBJKI-UHFFFAOYSA-N 449.990 4.547 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871816891 OOZVGSZTUVKIFX-SFHVURJKSA-N 434.524 4.821 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCCC 1872293262 ZMOWVSKDERAUJL-HSZRJFAPSA-N 449.661 4.648 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccccc2C)C1=O 1873099055 LXXDEQBLBZEEDT-UHFFFAOYSA-N 427.633 4.757 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2ccc(C(=O)OCC)cc2)=C(c2cccnc2)C1=O 1873268593 CRMOTHSKPFKLHG-UHFFFAOYSA-N 449.551 4.811 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874267710 LHBCRBMHMOTEIN-CIAFOILYSA-N 431.905 4.803 30 10 IJEE C(=N/n1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)\c1cccnc1 1874315759 JJMZQFLTUNOZEY-NHFJDJAPSA-N 443.576 4.902 30 10 IJEE Cc1cccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874461567 UNAYTXALOHEZDP-BHGWPJFGSA-N 434.443 4.551 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCCCO 1874572103 WCTUWKQKHRNYFQ-MDZDMXLPSA-N 445.353 4.994 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)cc1 1874714252 LZHQNTTWILXKDI-NTEUORMPSA-N 432.472 4.757 30 10 IJEE C=CCn1c(C(=O)N2CCC[C@H](C)C2)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1875227616 GQHQZVSWKQYLCF-SFHVURJKSA-N 442.567 4.625 30 10 IJEE C=C(COCc1ccccc1)[C@H](COCC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 1922098429 GKTHXTJIEYJCAL-DEOSSOPVSA-N 446.632 4.791 30 10 IJEE C#CC[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984724514 QQHAGDUDVRZCRD-IBVKSMDESA-N 444.575 4.954 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2(CCC2)C1 2075898341 MCUBXYMRUMHJOV-IRXDYDNUSA-N 448.568 4.853 30 10 IJEE CCOc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080087331 JJDJAHHMTNKHLJ-SFHVURJKSA-N 435.309 4.881 30 10 IJEE Cc1c(Nc2ccc(I)cc2Br)ccc(N)c1C#N 2142498629 JRNZBMFXOVJKNR-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE CC1(C)C[C@@](Oc2ccc(Br)cc2C#N)(C(=O)O)[C@@H]1OCc1ccccc1 2156355233 PSUUPIVQERDYPO-NQIIRXRSSA-N 430.298 4.538 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2ccc(C#N)c(Br)c2F)CC1 2163259453 HXNHTBLTWCJMKZ-AWEZNQCLSA-N 444.320 4.857 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1ccc(Br)c(C#N)c1 2180933553 VLJQQKCDKLEWRE-INIZCTEOSA-N 436.350 4.589 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCCCCN(C)Cc1ccccc1 2184092514 LVQOEGBXBULQPV-UHFFFAOYSA-N 429.402 4.853 30 10 IJEE N#Cc1cc(F)c(NC2CC3(C2)[C@@H](NC(=O)OCc2ccccc2)C3(F)F)cc1Cl 2207114230 OJLQFZJNOOVSCW-RPLTXICNSA-N 435.833 4.855 30 10 IJEE N[C@@H](C#Cc1ccccc1Br)CCCCCNC(=O)OCc1ccccc1 2214987935 MSYZOWJMZVWZAP-HXUWFJFHSA-N 429.358 4.615 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 2235716128 DQGSWASQMHRQBL-IEBWSBKVSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2235749703 MSXMPELZIKJZIU-OALUTQOASA-N 435.406 4.720 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)C2CCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267111894 YZKXDQCQLKSDPO-UHFFFAOYSA-N 435.373 4.579 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)c(OC)c1 2296280408 DHUIWXSOQHLXHC-HSZRJFAPSA-N 429.472 4.639 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 2296310686 MSCNSYGWYJRVIM-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)NCc5ccco5)CC[C@@]43C)[C@@H]1CC[C@H]2O 2297639956 VUKILELVYWEYTE-VMQDIAFOSA-N 440.584 4.592 30 10 IJEE COC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)Nc1cc(C)ccc1C 2297650106 IFAMMEIOXMLBNN-HKUYNNGSSA-N 431.458 4.531 30 10 IJEE C=CC1(C[S@](=N)(=O)c2cc(I)ccc2Br)CCC1 2316473214 UTJOVAHEAFPBTG-SFHVURJKSA-N 440.144 4.816 30 10 IJEE C=CCN(CCC(=O)N(C)Cc1csc(C)c1Br)C(=O)OC(C)(C)C 2320543517 ZMLCSWFDESKELO-UHFFFAOYSA-N 431.396 4.591 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2-c2ccccc2)c1OCc1ccccc1F 2321944828 HTTZYOZELKKQMA-UHFFFAOYSA-N 434.496 4.843 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2ccc4c(c2)OCO4)CO3)C1=O 2322099170 UWNBONKKSQATAK-UHFFFAOYSA-N 427.456 4.692 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)NCc1ccccc1 2322542311 XJLSGHVLOPXWKZ-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)c1 2323889814 AMDOUJASBOROKZ-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(O)cc4)cc(C)c3C2=O)cc1 2325551139 VODSOIXGVGPJPZ-UHFFFAOYSA-N 445.471 4.733 30 10 IJEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2)c1 2325703414 ZRVHKRMMZSBFPX-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(C(C)C)cc1 2325915115 JZTHHEYBEPVFKQ-OAQYLSRUSA-N 433.581 4.522 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccn2)cc1 2329241456 NXCHPLLEDNIARW-UHFFFAOYSA-N 429.549 4.755 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331358939 HCKJISYBXCIDDD-UHFFFAOYSA-N 442.416 4.725 30 10 IJEE CC[C@H](NCC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839641 WBRDCLCCPLCFDE-OZXSUGGESA-N 448.460 4.939 30 10 IJEE C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 8234220 XLHFBXMTUNORSV-ZENYHQJXSA-N 430.629 4.685 30 10 IJEE in-vitro C/C(=N\Nc1nc(SCCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1)c1ccccc1 20835228 WQRDFFOVMUAIEV-LGJNPRDNSA-N 448.474 4.781 30 10 IJEE CCc1ccc(/N=C(\NCc2ccncc2)NC(=O)c2cccc(Br)c2)cc1 45940583 CUCRGJLENUZGCO-UHFFFAOYSA-N 437.341 4.614 30 10 IJEE O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1ncc(C(=O)Nc3ccc(F)cc3)c1N2 64874091 LVYPDJKIPODQFR-NRFANRHFSA-N 436.874 4.950 30 10 IJEE CCCOc1ccc(Br)cc1/C=N/Nc1nnc2c(n1)[nH]c1ccc(C)cc12 65002996 NGAMZKKWHZUBNY-SSDVNMTOSA-N 439.317 4.812 30 10 IJEE C=CCOc1ccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 66093656 FLLMFXODRFAJHW-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE Cc1ccc(/N=C2/SCCCN2C(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1Cl 103039716 NIQMJTVTMJBGOE-ZNTNEXAZSA-N 441.940 4.569 30 10 IJEE CC(=O)c1ccc(N/C=C2/C(=O)c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)cc1 104402331 HAHCNDNXZWRIFM-IWIPYMOSSA-N 446.528 4.684 30 10 IJEE CCN/C(=N\c1ccc(F)cc1)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 105535679 ZDXGUJAGAZMGBX-MRXNPFEDSA-N 440.327 4.795 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 169953177 ODGVLSXALIRHHC-HSZRJFAPSA-N 428.488 4.544 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccco3)nc2c1 170098519 WFUHVALPLNPTPY-IBGZPJMESA-N 433.851 4.901 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccc(C)o1 170100267 SDYNWAQJSXPZQC-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1 170130283 QJBMNKDXAUGBLS-OAQYLSRUSA-N 431.469 4.978 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccc(O)cc1 170137040 GGMBYZKYJAGFJO-KRWDZBQOSA-N 436.291 4.696 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(C)c2)c1 170144902 TWLGJFUAHGQXDD-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 170159501 HALFTOYGBRYKCW-NRFANRHFSA-N 435.501 4.857 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(OCC(C)C)cc1 170167521 IIDSPTMDACHMJN-QFIPXVFZSA-N 441.499 4.857 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)c1 170185375 FXUBBWTZNJQLRK-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(O)c(Cl)c1 170220076 LKTOXOXNKQTVMR-SFHVURJKSA-N 436.291 4.696 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)cc1OC 170248464 OHLQUPUNKTWUOL-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 170250570 IKCBGDVQHAHQNB-QFIPXVFZSA-N 435.451 4.984 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C[C@H]1CCCO1 170273427 XXKFHFMRQKXDOU-OFNKIYASSA-N 435.520 4.540 30 10 IJEE CCCCCCC[C@@H](NN)c1cc(I)ccc1Br 232960337 VCNAFNDPFJKLDO-CQSZACIVSA-N 425.152 4.919 30 10 IJEE COc1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1OC 254321197 YWQIWEBEMACHPT-UHFFFAOYSA-N 441.495 4.822 30 10 IJEE COc1cc(/C=C/C(=O)N2CCSC2=Nc2ccccc2Cl)cc(OC)c1OC 254765923 RJBWMQAIEJWTDO-FOSUNIOCSA-N 432.929 4.642 30 10 IJEE COc1ccc(C)cc1C1(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCOCC1 465753211 NJWOWKGLZKSZBW-ISKFKSNPSA-N 447.579 4.533 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 475545144 AEYWMRUMFBKOFS-UHFFFAOYSA-N 443.613 4.891 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2ccsc2)C1 508816480 IYRIUAGHEXHHDE-QGZVFWFLSA-N 431.359 4.533 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508918395 FLJSHJUWOXKQSM-DLBZAZTESA-N 427.549 4.892 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 532380902 COIKGSKSWSIXEM-HXUWFJFHSA-N 434.536 4.721 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 549292299 RIMLGUSVFVHIAQ-QGZVFWFLSA-N 434.475 4.687 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 555253060 WNVDYQMMKKJHRY-NRFANRHFSA-N 437.371 4.602 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)NC2CCC(OS(=O)(=O)c3ccc(F)cc3)CC2)cc1 586507267 IIHLFFQOZKXJDN-FZSIALSZSA-N 445.556 4.795 30 10 IJEE COc1ccccc1[C@@H]1CCCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 615074390 ABAMSFCTWFPCMO-AOMIVXANSA-N 434.540 4.589 30 10 IJEE Cc1cc(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)ccc1NC(=O)c1cccs1 758682738 UANNLLVVDZNITQ-UHFFFAOYSA-N 444.472 4.588 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)C(CC)(CC)c2ccc(Cl)c(Cl)c2)n1 790106098 QOTYAHMGWBZYIP-UHFFFAOYSA-N 436.383 4.556 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cnn(CC(C)C)c2C(F)F)CCCN1C(=O)OC(C)(C)C 790826298 LGUJDRUCRASRTO-NRFANRHFSA-N 426.508 4.761 30 10 IJEE C#C[C@H](NC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)cc1 794893783 PIRLVLWWYYPSHV-PTHHNIJRSA-N 434.467 4.522 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCOC[C@@H]2CC(F)F)c1=S 795727430 CFCBLUNQAPCTHV-SFHVURJKSA-N 436.572 4.878 30 10 IJEE C=CCn1c(SC[C@H](O)c2ccc(F)cn2)nc2sc(-c3ccccc3)cc2c1=O 799607550 NOPXGJLEVSWWTD-SFHVURJKSA-N 439.537 4.671 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 800774190 PPTADLOOPOORTR-UHFFFAOYSA-N 446.551 4.556 30 10 IJEE C#CCO[C@@H](C)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2Cl)c1C(=O)OC 1124955531 IICVJHNZCRCXRO-JTQLQIEISA-N 426.321 4.794 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1 1128961890 HMOATYNPUYEECR-UHFFFAOYSA-N 432.904 4.549 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C(F)(F)F)cc1 1128971882 UVYMHENZPSRMDU-QFIPXVFZSA-N 430.470 4.659 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 1136452464 YVJFJVGVWGUTKM-IBGZPJMESA-N 432.486 4.912 30 10 IJEE C=CCC[C@H](NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)C(=O)OCC 1140925626 IYEQLDOZYAUVAF-KRWDZBQOSA-N 431.945 4.677 30 10 IJEE Cc1cc(Br)cn2cc(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)nc12 1186060855 ATLMNZABKUUNNI-UHFFFAOYSA-N 449.356 4.815 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1206108438 HKXKTEBJVOTCDL-LJQANCHMSA-N 432.992 4.821 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 1209117455 MKIUDRWUHJAGBG-MJGOQNOKSA-N 443.512 4.566 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)cc1 1251290522 BPADFDOJXZXAEO-QFIPXVFZSA-N 449.551 4.773 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1)c1ccc(Br)cc1 1252459297 QCBITKPDKQTQJR-SJLPKXTDSA-N 429.362 4.559 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCc1cccc(C)n1 1286280868 FTRWUOLETNPEEA-OAHLLOKOSA-N 444.402 4.563 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1286316547 WGIFBRBQWZEKCV-OXQOHEQNSA-N 443.389 4.899 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1286325013 UHTDXCNDEJHBKK-QGZVFWFLSA-N 436.526 4.727 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC=C(Br)C1 1286343047 TUDIHEIWCLWOHI-HNNXBMFYSA-N 449.780 4.974 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCO[C@H]1CCCC[C@H]1C 1286366795 AZXGQDOSUXALBC-OFNKIYASSA-N 448.567 4.782 30 10 IJEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1286507866 FYKYIUNWOKSOES-VWLOTQADSA-N 436.625 4.593 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCCc1ccccn1 1286558334 NPBGQFRJHRBZHG-BVAGGSTKSA-N 445.611 4.623 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286602846 BQGDLJWMTNQLDM-HSZRJFAPSA-N 432.996 4.833 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1286613405 ZOUZTZBWPGEEJZ-JPYJTQIMSA-N 430.980 4.872 30 10 IJEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1286632385 IFNCBKRLJMHGHX-APWZRJJASA-N 441.790 4.938 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCOC(F)(F)F)CC1 1286663515 DQZIGZHYZKJROR-UHFFFAOYSA-N 438.494 4.803 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286682940 YJAXIDYKVVZFSH-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(CC)CCC1 1286741369 LFNHVYHGQAKFDB-UHFFFAOYSA-N 430.556 4.698 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1c(C)noc1C 1286742049 NDKWTAAAXFTMPV-KRWDZBQOSA-N 441.539 4.746 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286743190 BMANVTSHCLQZSG-LADGPHEKSA-N 429.568 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)c1ccc(F)cc1 1286756598 ZZKCPVJEVWLPLK-LJQANCHMSA-N 427.911 4.699 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1 1286761323 WTBGNGAUXPGDGS-JTHBVZDNSA-N 431.584 4.780 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1286777349 VWTRLKUAMHLHLH-UXHICEINSA-N 444.023 4.787 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccco1 1286798838 LRXGPSHQWOOGOM-IBGZPJMESA-N 429.524 4.667 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1286821975 AXCQMLTXZJAPOJ-PKOBYXMFSA-N 427.618 4.549 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 1289183891 ALZKQIIBKPOQKS-UHFFFAOYSA-N 433.537 4.571 30 10 IJEE Cc1nc(C)c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)s1 1290371078 GFEYBVIAGAWSMO-CRAIPNDOSA-N 438.601 4.895 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 1290513594 SMAZYVATCUJWJV-UHFFFAOYSA-N 432.501 4.816 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1294685486 BRNLJCUZAYTPFC-HKUYNNGSSA-N 447.645 4.978 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(F)cccc1SC 1300329609 RDNXJLBZRWNWRS-RZQQEMMASA-N 430.593 4.564 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CC)[C@H](C)C1 1300343200 YLFLYGSBHZVXHF-LJQANCHMSA-N 448.640 4.711 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1 1300353716 ZCMWWWHZNIXXJN-HZPDHXFCSA-N 433.419 4.841 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccc(OC)cc1)C1CC1 1300424780 LKGMXVQIZIZTKL-DHIUTWEWSA-N 436.600 4.788 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)CC(C)(C)C1 1300745874 ODCNORJEBYVHOQ-INIZCTEOSA-N 433.021 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1(CCOC)CCC1 1300808820 PYRIFIYYJOSVJD-HSZRJFAPSA-N 426.992 4.721 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1300927480 GTTAYAZZZDQNCB-JOCHJYFZSA-N 449.555 4.502 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1301112680 ZAXLMIFIKUYQIL-FPOVZHCZSA-N 442.629 4.577 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1301152142 UVWAHNMRARWWBX-GOTSBHOMSA-N 433.600 4.715 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1301194196 GXBKAZNQAGYOON-FXAWDEMLSA-N 437.419 4.516 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CCN(C(=O)OC(C)(C)C)C1CC1 1301286164 KADRQDKWTQESAR-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1301299195 DEUIWSBSDUUBGQ-UHFFFAOYSA-N 441.620 4.883 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(c3ccccc3OC)CCC2)C1 1301558642 XJIXQUNNMKBTLC-HXUWFJFHSA-N 438.616 4.779 30 10 IJEE C/C(=C/C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1cccc(F)c1 1304252440 MTSBRQIGHUVRKD-VFFJXMNASA-N 431.298 4.858 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)c1ccccc1 1304747020 QPJDQJQIXQLKAX-IZPCHGGPSA-N 435.571 4.582 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCc2ccccc2)C2CCCC2)cc1 1310132664 URFQWSYISVOSRD-UHFFFAOYSA-N 441.597 4.512 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)C1CCOCC1 1310351847 IIZJSGOCIDDPGC-ZDUSSCGKSA-N 440.409 4.910 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1313001209 IBNQOBZIWHIXMG-YJMBLLCNSA-N 449.636 4.615 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1)OCC 1351449695 SWHUYPISDJZIRA-XMMPIXPASA-N 442.003 4.972 30 10 IJEE C[C@@H]1[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)Cc2cccc(OCC#N)c2)CCC[C@H]1C 1351610036 FDBSSNWGIGECGO-MSYCTHLASA-N 434.536 4.714 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1OC 1351742285 YNORROPSNMMPMZ-UXBLZVDNSA-N 449.288 4.825 30 10 IJEE C=CCc1cc(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)cc(OC)c1OC 1352542963 OMPANPRYBHMWOQ-UHFFFAOYSA-N 445.515 4.719 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(Cl)ccn1)c1ccc2c(c1)OCCO2 1355190987 ZZDRRCCMGVCWEW-UHFFFAOYSA-N 436.895 4.918 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)cc1OC 1358468509 RCKDRXPXSDKNAB-ALCCZGGFSA-N 446.431 4.843 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1358923614 VDWAQCGTECORCL-NRFANRHFSA-N 433.644 4.967 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1358930762 CWBQWQAQGTVYSQ-XLIONFOSSA-N 437.802 4.956 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1csc([C@@H](C)OC)n1 1359014233 BEGDAWJWDJJNTF-QGZVFWFLSA-N 441.626 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)CC(C)C 1359095857 SVOIDPOKDHLFRB-QPPBQGQZSA-N 449.599 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1SC 1359101009 JDOBDYHQYUKPFD-GBXCKJPGSA-N 449.624 4.603 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccncc2Cl)CC1 1359162834 GTOXBJGPPPHJBZ-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1359217897 QTKQEUWRODTSTL-ILBGXUMGSA-N 431.584 4.834 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359309342 PDIYKWLNXLSWLI-IFMALSPDSA-N 434.588 4.751 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2c(C)nc3ccc(Br)cn23)c1 1361104463 SEEFSSKKZPAZJH-UHFFFAOYSA-N 434.293 4.827 30 10 IJEE CCCc1c(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)cnn1-c1ccccc1C 1435624140 BTYQVPJYXPIOCH-UHFFFAOYSA-N 431.496 4.826 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc3cc(C(=O)OC)sc23)CCCN1C(=O)OC(C)(C)C 1436521946 BZVZHSOYEHDMHJ-QHCPKHFHSA-N 444.553 4.972 30 10 IJEE COc1cc2c(cc1Cl)CN(C(=O)c1cccc(OCc3ccccc3C#N)c1)CC2 1436548236 GWFOVEUGOQAWRW-UHFFFAOYSA-N 432.907 4.998 30 10 IJEE C#CCN(CC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 1446989305 RTKKXMNYTYWSDT-MOPGFXCFSA-N 438.490 4.670 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1Oc1ccccc1 1448152054 BJISIYHLNNUWHI-UBFVSLLYSA-N 428.488 4.705 30 10 IJEE CCc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)o1 1456596515 IAZLYVDINJKEQQ-LAUBAEHRSA-N 439.943 4.864 30 10 IJEE C=CCN(C(=O)c1cnc(Cc2ccccc2)s1)[C@H](Cc1ccccc1)C(=O)OCC 1458997208 KHSASYQPKABKKY-OAQYLSRUSA-N 434.561 4.537 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Br)cc1 1466390095 SBCYREAXFZXHDH-SFHVURJKSA-N 437.297 4.873 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 1466816398 LXRVWJSPWKNERN-QGZVFWFLSA-N 435.293 4.838 30 10 IJEE CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1467699018 BAWJFNJLNQQASZ-FQEVSTJZSA-N 432.351 4.560 30 10 IJEE C#C[C@@H](NC(=O)NC1(c2ccc(Br)cc2)CC1)c1ccc(Br)cc1 1470662030 BSVMERTTWOIKQK-QGZVFWFLSA-N 448.158 4.874 30 10 IJEE C#C[C@H](NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1 1470663766 RIRLYTPCWXZJQY-FCHUYYIVSA-N 441.369 4.595 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C(=O)OC 1471893881 QHFZNYLVYVTFJD-SFHVURJKSA-N 440.569 4.677 30 10 IJEE COc1c(F)cc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(OC)c1F 1476613437 DJCZPTIXMYMYGR-UHFFFAOYSA-N 429.448 4.904 30 10 IJEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(CC)CC)C1 1499574828 BUHXFEQNDOUDOV-UGKGYDQZSA-N 432.572 4.729 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@@H](CC)C1 1507592920 GYIGAASMHIFQPX-FQEVSTJZSA-N 447.048 4.997 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)COCC 1507761954 MIFWJOYHOJHASZ-HSZRJFAPSA-N 430.980 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(Cl)cc1 1507762097 OUOQZWZSFHSGRP-JOCHJYFZSA-N 426.351 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1 1507806021 LYJJICBGKBVKQK-RDGATRHJSA-N 449.599 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(c2nc(C)no2)CC1 1507918724 IBYADJULHBKYIG-UHFFFAOYSA-N 434.588 4.741 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2ccccc2Cl)CC1 1507929696 TWMYKUJGCOAGNY-UHFFFAOYSA-N 445.011 4.507 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(C)ccc1F 1507939787 SDGROGGKECATGG-UHFFFAOYSA-N 432.547 4.957 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1507948518 RVAWSWWZLTZNLX-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(Cl)ccc1OC 1508012225 STYJBYGGEFTHMV-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCSC(C)(C)C1 1508150586 FMNHUUZMIQMQOX-UHFFFAOYSA-N 427.014 4.989 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1508157856 CDFVBVPJSAXNAW-QFIPXVFZSA-N 447.693 4.531 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCCC(F)(F)C2)n1 1511101263 CMOUINCYPDWOFL-LJQANCHMSA-N 428.531 4.994 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)C1 1512102046 HGJHANMTTVDXPZ-PMXSJFBMSA-N 425.552 4.882 30 10 IJEE COc1ccc([C@@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(Br)c1 1520034712 HPCWLKSGEXVXHX-CQSZACIVSA-N 448.386 4.619 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(Br)ccc2OCCOCC)cc1 1520588582 OJSQAOCBWMNJCG-UHFFFAOYSA-N 432.314 4.519 30 10 IJEE Cc1cccc(-c2cnc(NC(=O)COc3cccc(Br)c3C#N)s2)c1 1520794333 BEKSVJXEWSUMHB-UHFFFAOYSA-N 428.311 4.770 30 10 IJEE C#CC[C@]1(C(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)CCCN1C(=O)OC(C)(C)C 1521634113 JODHZKLZQQRXEY-WXVAWEFUSA-N 438.612 4.994 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c(C(=O)OCC)c1C 1524508722 LBQHKXUIAVGMMH-IAGOWNOFSA-N 445.512 4.847 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 1525731442 ZAFAMBFGYSNYIQ-LEWJYISDSA-N 432.609 4.842 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H](C)CC)c1 1531821374 AIMFNQQUEDFUNU-KRWDZBQOSA-N 434.989 4.887 30 10 IJEE C=CC(C)(C)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 1532582715 YSKCRMMVKOJAIL-UHFFFAOYSA-N 434.508 4.961 30 10 IJEE C#CCSc1ccc(COC(=O)c2cn(-c3ccc(Br)cc3)cn2)cc1 1537411247 PWKITRJLOJEIBI-UHFFFAOYSA-N 427.323 4.717 30 10 IJEE C#CC(C)(C)NC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 1537968060 NDZJWOVGWVRKSS-UHFFFAOYSA-N 446.395 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1C1CC1 1538988039 ZPXNEBAVQVRGEW-MAUKXSAKSA-N 432.399 4.727 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCC(F)(F)F 1539621549 AOTNAVIEIZPLRX-FXAWDEMLSA-N 445.489 4.863 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CCCO)CC1 1539715969 LXXQNFPRDXCFKP-UHFFFAOYSA-N 426.605 4.720 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2c(C)noc2C)CC1 1539831793 LTTFZKBXWGYRTI-UHFFFAOYSA-N 442.361 4.712 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1539859064 IUFILMCIXBWOHE-ACDBMABISA-N 442.629 4.939 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](C)C1 1540012508 OLESSYQKRWXNRP-KDURUIRLSA-N 432.996 4.831 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCSCC(F)(F)F 1540120636 MJAQMZJCKCNZKZ-UHFFFAOYSA-N 437.535 4.935 30 10 IJEE C=CCNc1ncc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)s1 1540409368 XUIFWJDYUOQWCK-UHFFFAOYSA-N 435.578 4.927 30 10 IJEE C=CCn1c(CC(C)C)nnc1N1C[C@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1540858656 ROHXUPFKMITWSG-PEBXRYMYSA-N 447.942 4.759 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2coc(-c3ccc(C)cc3)n2)C1 1540882179 CWNPTINEJHTWND-UGKGYDQZSA-N 435.572 4.779 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)C(C)C)cc1 1542540332 RYCWWKVQMCHBHY-MBSDFSHPSA-N 428.598 4.792 30 10 IJEE C=CC1(CC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2OC)CN(C(=O)OC(C)(C)C)C1 1556552449 DWYSKHXCVCIJEV-ICSRJNTNSA-N 428.573 4.808 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1557476199 ZWFSANNJBROECR-UTKZUKDTSA-N 430.545 4.800 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)OCC 1566656514 ODMCUYJHGJJZKB-UKILVPOCSA-N 426.988 4.945 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ncsc2Nc2ccccc2)CC1 1568492100 BJEVDZJGERNPTJ-LJQANCHMSA-N 437.956 4.563 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1585562345 WXUTUQQCECNTEV-CQSZACIVSA-N 432.860 4.664 30 10 IJEE CC(=O)CCc1ccc(OCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc1 1585624234 BQSVWPDCEDYSTF-MRXNPFEDSA-N 432.442 4.547 30 10 IJEE C=CCCCCCCNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 1587020860 ADHBSSLKWDOXMX-IBGZPJMESA-N 426.582 4.693 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)cc1 1587057864 SJNNZWHFOUMYGH-UHFFFAOYSA-N 434.448 4.891 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1589366682 IENBBRAEJINAMQ-UHFFFAOYSA-N 430.325 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1589615826 UVQYDEXWZWDSFJ-UHFFFAOYSA-N 432.475 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1589625283 AAUYSMNCXUECDH-REPLKXPHSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 1593770308 YOLZAFADPLYLAE-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1594492072 RYTXUAFMOHJTLM-LAUBAEHRSA-N 444.542 4.652 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)F)C1 1594775640 VFXIBZYMKDZVAZ-IRXDYDNUSA-N 439.551 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC[C@H]1C 1595099448 BRUACHIULDIJSQ-AUSIDOKSSA-N 447.608 4.667 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)C1 1595737569 CUVQXNJRHFNZBI-GCJKJVERSA-N 445.007 4.913 30 10 IJEE C#Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 1597402663 IQORDLPYHHYPCJ-RCZVLFRGSA-N 428.557 4.839 30 10 IJEE C#CCN(C(=O)Cc1sc(-c2cccs2)nc1-c1ccccc1)C1CCN(C)CC1 1611144836 DOZDTDNIVNRLFJ-UHFFFAOYSA-N 435.618 4.637 30 10 IJEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1cccnc1)C(C)C 1614171030 FSECKMHEKOPRMJ-UPVQGACJSA-N 444.583 4.942 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 1621675918 HRAWBQVNZJIXAP-SFHVURJKSA-N 437.334 4.588 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(Cl)cc1F 1623825270 BHTPRPPTWQHIIH-WMZOPIPTSA-N 425.674 4.770 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC[C@@H](c4cccc(Cl)c4)C3)ccc2c1=O 1626703740 PVUTTZIYCVAWLC-CRAIPNDOSA-N 439.968 4.591 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1629454784 DLEHZZPXKHCIPB-YQQQUEKLSA-N 426.561 4.887 30 10 IJEE C=CCOc1ccc(CC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1635607844 XLZUIMYWLXZDCF-HXUWFJFHSA-N 436.552 4.839 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@@H]3CCN(c4ccc(Br)cc4)C3)n2)c1 1639433679 AUQDPJLKRHBKON-QGZVFWFLSA-N 436.313 4.594 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCCN(c2cc(Br)c(C#N)cc2F)C1 1640265406 MJVDREXVEJSHMP-AWEZNQCLSA-N 426.330 4.734 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CNC(=O)OC(C)(C)C 1640575386 PKNPXSYCDAGULJ-LJQANCHMSA-N 447.576 4.899 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC(CC)(NC(=O)OC(C)(C)C)CC2)cc1OC 1643723153 KAOZGRJYBMYAOE-BENRWUELSA-N 444.572 4.569 30 10 IJEE C#CCN(Cc1nc2c(F)cccc2n1CC)[C@H]1CCOc2ccc(Br)cc21 1644631980 OMGKNMDSDOFRCA-SFHVURJKSA-N 442.332 4.917 30 10 IJEE C=C(C)CNc1cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc(Oc2ccccc2)n1 1650988891 IRNWFXMWFQPUDE-GOSISDBHSA-N 439.560 4.750 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)C2CCOCC2)nc2sc(-c3ccccc3)cc2c1=O 1651730244 MUVMJMLRMIKQSC-HNNXBMFYSA-N 440.590 4.787 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O 1654431489 UNPOQSODPMFDCR-XZOQPEGZSA-N 440.588 4.699 30 10 IJEE C#CCN(CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCCc2ccccc21 1655692556 NPMADYVXHWRLOX-VGOFRKELSA-N 430.470 4.775 30 10 IJEE CCN(Cc1ccccc1Br)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1663570812 HVIHQKMBGCWTOS-UHFFFAOYSA-N 447.276 4.550 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2cc(Br)cc(I)c2)C1 1663733051 NNSHPSWVQHAISV-NSHDSACASA-N 449.130 4.874 30 10 IJEE C=C(C)CN(Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)Cc1ccc(CO)o1 1664685433 CDSCIXUFRMBJGC-UHFFFAOYSA-N 426.557 4.643 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 1669472595 XXZVMFXVFXJJBI-INIZCTEOSA-N 438.380 4.948 30 10 IJEE COc1cc(NC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)c(F)cc1C#N 1673761784 BFTDWEBBFDBIMC-GOSISDBHSA-N 436.256 4.880 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c(C2CC2)n1)c1ccc(Br)cc1 1678091475 REERXCPGBIHZJK-HNNXBMFYSA-N 449.146 4.980 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 1679943721 AOLBCQCQYGMCCG-DFQSSKMNSA-N 446.979 4.726 30 10 IJEE CC(C)(C)C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(F)cc1 1681547936 CXGLSTOMIVTYEA-OAQYLSRUSA-N 426.511 4.846 30 10 IJEE CCc1cccc(NC(=O)CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1683411044 HAHWKHZBXHVHTH-GOSISDBHSA-N 426.520 4.787 30 10 IJEE C=C(CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1686698921 KTVHGCNANYLBKI-BETUJISGSA-N 428.323 4.512 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1687010688 ARLGUWSGPBPHOS-NJDAHSKKSA-N 431.552 4.669 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCCN1CCCC1 1689950849 DJDQLUXSRBOVER-UHFFFAOYSA-N 425.646 4.611 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC=C(C)C 1690095316 MTAUPXSTZUMDDG-UHFFFAOYSA-N 435.597 4.819 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 1690241301 QWOPODWCJJYCLL-XQFWAAQXSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1690433450 WQBFOVJUJPLOOR-UHFFFAOYSA-N 443.611 4.943 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](C)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1690447642 UMKGWLJXWWCXMN-WHSBFGAESA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(CC)c1 1690456095 VNQOBDCSRSHDHL-UHFFFAOYSA-N 449.422 4.978 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(F)(F)F 1690460805 NNNCWCFXGIQOAM-UHFFFAOYSA-N 448.493 4.591 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)ccc2C)n1Cc1ccn(C)n1 1690579573 OAVFJYBGCGQLOX-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([S@@](C)=O)CCC1 1690586488 OJOJWRUKGLUTCD-SSEXGKCCSA-N 426.630 4.722 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1690604169 QHBAJUMXBOSLPH-UHFFFAOYSA-N 446.599 4.504 30 10 IJEE C=CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(F)(F)F 1690611795 ZRIRZPPXHHDCBS-HNNXBMFYSA-N 446.901 4.889 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)c1cc(OC)cc(OC)c1 1690737129 AQMLNUNAJUMHDS-UHFFFAOYSA-N 445.976 4.698 30 10 IJEE Cc1cc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@@](C)(C#N)C2)no1 1692996709 FJQLLYUYXKBTHZ-VWLOTQADSA-N 448.571 4.845 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1693247817 FXOXVHYYNBXQKW-QFIPXVFZSA-N 440.473 4.846 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nnc(C(C)(C)C)s1 1705545098 OUFSFPVESKFHCR-UHFFFAOYSA-N 440.642 4.542 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CC(C)(C)c1cccs1 1705601378 HLMSJTCCBUZNSG-UHFFFAOYSA-N 432.593 4.668 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)N(C)C1CCCCC1 1705608084 DJATVWBKCDIBQA-UHFFFAOYSA-N 448.398 4.503 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1ncc(C)s1 1705619652 YAQKNBYVPSFVQC-QGZVFWFLSA-N 446.555 4.688 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC(C)(C)C)CC1 1705636725 VJUUKXFBFWWCEG-UHFFFAOYSA-N 434.415 4.833 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCOCC(F)F 1705668039 CIZITVALNQUEGJ-YADARESESA-N 446.542 4.699 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1705684195 ZYKQSJSSPKJABJ-SFHVURJKSA-N 438.329 4.968 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1705684664 YOUFUTSLQLCUTL-OAHLLOKOSA-N 434.338 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1705696238 MCIVFOPPJGUDLX-DBBLALLESA-N 440.588 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCCCC1 1705706866 ADOZFAAOBZQGTI-BDKRGJGYSA-N 430.637 4.947 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC(F)F 1705748429 NRVWKTHKQJYJHM-UHFFFAOYSA-N 435.700 4.560 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1705759640 SSSSNFLURPGJRP-YJBOKZPZSA-N 445.753 4.769 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@](C)(O)C1CCCCC1 1705860515 JNGBRBHLLBISPU-SANMLTNESA-N 433.600 4.626 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C1CC(C(C)(C)C)C1 1705862879 AKJJQMLJXGDRJI-UHFFFAOYSA-N 427.568 4.745 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCO[C@@H](C)C1 1705863202 KTEIOKWLWKYUKJ-RXVVDRJESA-N 437.613 4.642 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1csc(CC)n1 1705865079 QNHHHZDGWOBZAV-SFHVURJKSA-N 441.576 4.571 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(F)(F)F)C1 1705920940 IQCHRLGFWOTCRH-QGZVFWFLSA-N 445.489 4.863 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccccc21 1705940363 COHFRCLWNQHWSF-UHFFFAOYSA-N 430.375 4.649 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCOC2(CCCCC2)C1 1705947931 CZDBILRMEMMPKU-UHFFFAOYSA-N 426.630 4.522 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@H]1C 1722278513 QPUINUUPJFVZAT-XJUOHMSHSA-N 437.632 4.757 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCOC1 1722395339 ZPKFLYXYEQPXLY-KRWDZBQOSA-N 438.984 4.703 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCCC1CCOCC1 1722422629 OZSFNCZFRNHGHO-UHFFFAOYSA-N 438.591 4.997 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)[C@H](C)C1 1722466069 YRQGJMRUUOYRAV-WOJBJXKFSA-N 426.630 4.748 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1722488705 CDRSYFGPIHYKJL-GOEBONIOSA-N 437.357 4.920 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722491873 OPYIAQKWNMVSEZ-GHTZIAJQSA-N 445.007 4.524 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CCSC 1722492329 AYOPRTOUBLCVEV-BZUAXINKSA-N 445.471 4.683 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CC(C)(C)OC(C)(C)C1 1722510536 SGZSJPXLVAXPFC-JTHBVZDNSA-N 438.616 4.552 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1cccc(C(F)(F)F)n1 1722517572 UKFANZKSGANQHT-UHFFFAOYSA-N 449.452 4.861 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1722547866 OXWASHFDQSGSRS-QFIPXVFZSA-N 449.020 4.828 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccnc(SCC)c2)CC1 1722560693 CECULISRHWHIDE-UHFFFAOYSA-N 436.541 4.565 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1722574990 UVZOGAUASPNLHK-MZNJEOGPSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1722577577 KNXAINBRHMDXPY-LJQANCHMSA-N 435.616 4.915 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722602372 YQUHVXYAVXHJJU-LJQANCHMSA-N 445.007 4.977 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1722605812 SXBURKQPIBUDAQ-UHFFFAOYSA-N 435.597 4.781 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@H](C)C1 1722655528 GJCPWHSWWDXNPE-CTNGQTDRSA-N 430.556 4.554 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCSC(F)(F)F 1722659788 CIJUFWNRJANFFD-UHFFFAOYSA-N 425.455 4.858 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccccc1C 1722662501 HZGOXNGZUJVYCK-IBGZPJMESA-N 446.580 4.765 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCCCC1 1722662709 LVNYEDRTCOIZOP-FPOVZHCZSA-N 430.618 4.837 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)[C@H]2CCC[C@H](C)C2)cc1 1722704082 BRHVDTJOVPODSA-REWPJTCUSA-N 431.584 4.892 30 10 IJEE CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](c1ccco1)N1CCCCC1 1723139226 FKSJQMQORCRILK-QFIPXVFZSA-N 432.572 4.730 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nccn1C(F)F 1723771441 DMKFACXYARJIBH-LLVKDONJSA-N 440.285 4.630 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C)nc1 1740532569 INJPXCVAGDMXCC-OALUTQOASA-N 437.975 4.898 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740568006 RKEDWBLTCLVADY-DLBZAZTESA-N 430.394 4.856 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OC(C)C)CC1 1740581891 GNYSHYVVNMOYNR-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC1CCN(CCC)CC1 1740677493 LREJYCFMXKGJNW-HXUWFJFHSA-N 425.596 4.693 30 10 IJEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H](C)c1cccs1 1740719435 FPUSIISNTUTMKA-SFHVURJKSA-N 435.622 4.906 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)CCC 1740725233 JEHQPKAYXBMDBW-SXOMAYOGSA-N 445.611 4.896 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCO[C@@H]1C(C)C 1740768534 LYUMEVRBPBBRSF-NFBKMPQASA-N 434.588 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1740777016 KEVRSGDYBXJKLB-NRFANRHFSA-N 429.584 4.519 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cccnc2OCC(F)F)CC1 1740819876 IHXGIFFQTXVJPC-UHFFFAOYSA-N 439.510 4.751 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740858598 VQYJDCCYKUYFSG-AQNXPRMDSA-N 429.584 4.832 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1740868288 IEOXITGCWXBSEI-XMSQKQJNSA-N 428.552 4.919 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCN(C)C1CCCCC1)C1CC1 1740912001 NHKJFPBKQFYYLW-UHFFFAOYSA-N 429.559 4.566 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCN(C)C1CCCCC1 1740928379 FTVPCMQRMYHMRS-UHFFFAOYSA-N 430.600 4.936 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccoc2)C1 1740986150 WNXAAKSKQBFXJR-JOCHJYFZSA-N 436.556 4.577 30 10 IJEE CC(C)(C)CCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1741201633 BHBIXMVWOCTLTM-UHFFFAOYSA-N 447.562 4.504 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H]2CCCC2(C)C)c1 1748692893 RHHXAUYBBQSKNU-NRFANRHFSA-N 433.600 4.818 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS[C@@H](C)C1 1748702368 FEVSOXRRAIFGLR-IBGZPJMESA-N 436.581 4.862 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2cccnc2)C(C)C)CC1 1749293982 JQKDNGCUDPCMAI-QHCPKHFHSA-N 447.583 4.954 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@@H]1CCCCO1 1749420664 JDHWCWLTHWJWEJ-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C(C)C 1749424634 LZOUKGFHYGSWPB-OAQYLSRUSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(C(F)(F)F)c1 1749538458 JLDOMEOBHQZBHT-UHFFFAOYSA-N 438.457 4.928 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[C@H]2C)C1 1749696152 AJOZPOVIRXVDFY-IYWMVGAKSA-N 428.552 4.775 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCC2(C)C)C1 1749719098 NQXWQYKMOFFKSK-WIYYLYMNSA-N 428.552 4.604 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCCCNC(=O)OC(C)(C)C 1760099071 CAXKHOHBBPFVEG-TZIWHRDSSA-N 439.604 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1OCC(F)(F)F 1760106703 MVGFJNZCNRBITE-HNNXBMFYSA-N 432.446 4.602 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1 1760132045 BPLSZBYZDRQUDE-UHFFFAOYSA-N 426.362 4.641 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCN(C(C)C)C1 1760164820 AOROJLZJRFKCHR-QHCPKHFHSA-N 444.627 4.542 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)c1cccs1 1760282481 FNGOXGPISJHWNO-OAHLLOKOSA-N 432.565 4.772 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)C1CC1 1760317178 BNVVROALPRQKTR-DYVFJYSZSA-N 437.407 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)nc1 1760330710 CODPZTVNQVNYHZ-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1760331451 IILJAXDNOCUCHY-QHCPKHFHSA-N 425.621 4.867 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2CCCNC(=O)OC(C)(C)C)CC1 1760391410 BLVYKQUKXCALFL-UHFFFAOYSA-N 439.604 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(=C)CC1 1760409240 OQNJRHWXPLYQNT-UHFFFAOYSA-N 426.561 4.730 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 1760417809 IURUTKTXHSPTJC-HSZRJFAPSA-N 433.600 4.984 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760433794 VYBJAXKLTUPUOB-GOTSBHOMSA-N 433.604 4.836 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@H]1CC 1760462634 FNQXRJGQLSKUOS-QUCCMNQESA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCCO2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1760463189 VQSLOVJOEODPJV-HXUWFJFHSA-N 441.576 4.732 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCC1CC(OC(C)(C)C)C1 1768659284 CISZNQMYLYSZLS-UHFFFAOYSA-N 432.572 4.765 30 10 IJEE N#Cc1c(O)nc(SCC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1Cl 1860826471 DPYDUMNNTLJVMF-UHFFFAOYSA-N 431.304 4.758 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(Cl)c2)cc1C 1862403024 MTYSLJMKANQNPL-NRFANRHFSA-N 443.927 4.660 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCC)c(OCC)c1 1862438112 HADQDMXKCSVUSA-NRFANRHFSA-N 441.911 4.902 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862553295 SXQNSCKUADHJJO-DEOSSOPVSA-N 449.547 4.959 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 1862628467 ZIBLUCHBQPUAMU-IQMFZBJNSA-N 445.446 4.894 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2)cc1F 1862636689 MFXCXDNGAMQFKU-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OC)c1 1862674612 ZFPRHHJCCUITCZ-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862679086 UTLBCBGHJLITHI-QFIPXVFZSA-N 436.483 4.700 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1C(=O)O 1862691150 IJNJGFAVFAGQAH-NRFANRHFSA-N 437.492 4.552 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1c(Cl)cccc1Cl)c1ccc2ccccc2c1 1862717188 YENSLJRTHLMTDZ-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 1862746262 BRJHADJQHFNFPA-FQEVSTJZSA-N 426.444 4.893 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOc2ccccc2)=C(c2ccc(F)cc2)C1=O 1863508064 RWWIHJSVTBNISZ-UHFFFAOYSA-N 438.543 4.935 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccc(C)cc1 1864255758 JPHQCHLXAOPZQX-NRFANRHFSA-N 438.616 4.852 30 10 IJEE COc1cccc(C(=O)/C=C/C(=O)N[C@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)c1 1866233694 ILLMYHNVMFXCKV-XIQMRYHBSA-N 444.531 4.757 30 10 IJEE C=CCOc1ccccc1OCC(=O)NCCCc1ccc(OCc2ccccc2)cc1 1868037603 CAMLLXDAZYRFBU-UHFFFAOYSA-N 431.532 4.958 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@@H](c1ccccc1)C1CC1 1868681436 DFVVLPRXVMGALQ-DQEYMECFSA-N 434.555 4.638 30 10 IJEE CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(C#N)nnn1-c1cccc(C(F)(F)F)c1 1870144416 BVVQGONMSQPQEH-AWEZNQCLSA-N 443.429 4.687 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870148090 VCTVTGXXZFXFOP-IBGZPJMESA-N 445.885 4.896 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cc(=O)oc3ccc(C)cc23)cn1CC(C)C 1870764187 XSGKKKLORWAHFM-UHFFFAOYSA-N 448.563 4.672 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871428453 BXSIIWIOIAVRFK-JJFYIABZSA-N 433.460 4.847 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871436144 NXRIBJSTKSTTOK-WQKDKYNYSA-N 428.419 4.720 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(Cl)cc1 1872104682 SKGFGIKBLMBVIS-NRFANRHFSA-N 445.972 4.805 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872403583 USPIQFIMQCDCRU-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 1872769759 BHOIAYZZSMLBRY-LJQANCHMSA-N 429.501 4.613 30 10 IJEE Cc1cc(C)c(C)c(-c2csc([C@H](C#N)C(=O)CN3C(=O)c4ccccc4C3=O)n2)c1C 1872778000 AXWFPJYAWCCOGZ-LJQANCHMSA-N 443.528 4.516 30 10 IJEE CCc1sc([C@H](C#N)C(=O)CN2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(OC)c(OC)c1 1872799214 FFFWBILHIQIYMR-JFIYKMOQSA-N 441.597 4.544 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(Cc2cccnc2)C1=O 1873063935 VQQMBUKEYNDMST-UHFFFAOYSA-N 445.485 4.729 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C/c1cc2ccccc2n1C 1873504619 DNWZUAOHSLFHAW-MFKUBSTISA-N 447.564 4.683 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N(CC)CCO)ncnc2n1CCCC 1873584131 OBZXVYGPGYRKSQ-UHFFFAOYSA-N 445.652 4.921 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3ccccn3)ncnc21 1873633326 MQAOVRXXIYKXQB-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1C(=O)O 1874230936 KBNVCAAXLBSSAR-FSJBWODESA-N 444.944 4.901 30 10 IJEE CCOc1cccc(/C=N/n2c(COc3ccccc3OCC)nnc2SCC)c1 1874240904 FGQJVKYCIIGOLI-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(O)c(O)c1 1874246340 ZIWBFFMHZAOTBT-ZVHZXABRSA-N 438.553 4.560 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2/N=C/c2cccc(Cl)c2)cc1 1874258606 KLFAGNZTSMBYIH-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccn1 1874315776 KCTOMDCFRCVTSD-WPWMEQJKSA-N 447.539 4.998 30 10 IJEE Cc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874336726 HMGBBRACVHXQQJ-SYOQMXFQSA-N 447.608 4.528 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2)cc1 1874429098 QSGBUVAZNRKXHX-PCLIKHOPSA-N 433.581 4.677 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(C)cc2)cc1OCC 1874499559 TXERLVADUBNQOV-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2cc(F)ccc2F)cc1 1874566635 HACDLBJRQFUWOT-ZMOGYAJESA-N 432.496 4.875 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1F 1874582480 POASDNZUVQRXPN-QPJJXVBHSA-N 443.858 4.672 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1OCC 1874637604 ISGLQRKBJBRBPV-CSKARUKUSA-N 425.525 4.512 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)cc1 1874698750 MJAURMGVOQWWLV-RIYZIHGNSA-N 448.471 4.593 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)[C@H]1CCCO1 1874709841 LEDDDEJRAMJZTL-AHKGRUIUSA-N 449.272 4.577 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)c(C)c1C 1875166666 CNUHIRHTRPWPMI-RMKNXTFCSA-N 432.432 4.731 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(F)ccc2Br)NCC)C1 1892684034 HQXWQGYRZJCOBD-KRWDZBQOSA-N 427.358 4.722 30 10 IJEE C#CC[C@@H](CN(C)C(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1901481174 AMEPOQVNLQWQGH-FNZWTVRRSA-N 444.575 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C(C)(C)C1 2013258596 LENIWFCABZOGBP-NRFANRHFSA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2013354726 MPRMJCPYPKTWMX-NHCUHLMSSA-N 434.541 4.607 30 10 IJEE N#C[C@@H](C(=O)c1cc(Br)ccc1I)c1ccsc1 2035111144 OWIQQPSTZWJXGP-LLVKDONJSA-N 432.080 4.605 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 2037224076 MTWVTDQIHJDKAL-GLDPYIMESA-N 443.544 4.728 30 10 IJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2054187512 CKTIQHCMVSOYIQ-AKIFATBCSA-N 441.616 4.579 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2068005574 WAARIOGYIYLYFH-PPJWLVRDSA-N 446.632 4.524 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1F 2079013962 TWBUMJWFRVFESI-AWEZNQCLSA-N 433.215 4.990 30 10 IJEE CC[C@@H](c1ccc(C)c(F)c1)n1nc(C2CC2)c(/C=N/O)c1I 2079107602 BHTIZEQSTYKZIB-FULVDIRDSA-N 427.261 4.620 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CN)c1Br 2079978857 HZTQQFWYLIQOHJ-ZCFIWIBFSA-N 434.153 4.890 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCNc2ccc(C#N)c(Br)c2F)C1 2106043275 UHSIDDXZOUPACY-OCCSQVGLSA-N 426.330 4.955 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)cc(F)c1C#N 2174808873 SUHUIBADTZSLLB-FICVDOATSA-N 438.341 4.827 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190477307 DNWZIVMGFQKERE-JAYJDBRPSA-N 447.428 4.802 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(O)C#Cc2ccccc2Br)cc1 2235715675 JWRQAKFUZHPZKW-JOCHJYFZSA-N 430.342 4.733 30 10 IJEE C#CC[C@H](C)C[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408054 ZPSDWIAGODNQLW-VDGAXYAQSA-N 437.422 4.913 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#Cc1ccccc1Cl 2245950436 JDLGQGBRNCNRSX-MTNREXPMSA-N 428.960 4.517 30 10 IJEE Brc1sc(C#CC23CC(CCN2)C3)c(Br)c1Br 2250878863 NBYUHEQVGMBSBB-UHFFFAOYSA-N 439.998 4.529 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)c(B2OC(C)(C)C(C)(C)O2)s1 2255837644 SGDZENOUJUZAAB-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2261827423 GUHATOTUNABSPJ-RUZDIDTESA-N 447.572 4.657 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2289533868 RFGKRDVXQAHXQQ-RTBURBONSA-N 441.385 4.806 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(OC)cc2OC)C1=O 2297485899 NFTSWEXTUICHNJ-UHFFFAOYSA-N 425.506 4.556 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc5c(c3)OCO5)CO4)C2=O)cc1 2322099067 PNFYBEVINAXDNP-UHFFFAOYSA-N 427.456 4.692 30 10 IJEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322143601 PAFDHSDZSKRDPU-UHFFFAOYSA-N 436.552 4.728 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1ccc([N+](=O)[O-])cc1 2323044458 PMVPIHAGDVKEQQ-UHFFFAOYSA-N 434.404 4.987 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 2323381480 LZZLFXHJLZOEDN-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 2324036900 LWHPVJAZPDGHRY-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324451138 FCSWIOHPSUCGGQ-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OCC(=O)C(C)(C)C)c2C)C1=O 2324923092 LLPJSOPWJVSLBF-UHFFFAOYSA-N 440.492 4.631 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)ccc1O 2325480241 TYCCZZDFLUGZOX-UHFFFAOYSA-N 445.504 4.657 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)OCO4)ccc2OC)cc1 2325746735 TVBNUFFCZYXRMH-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(F)c3)ccc2OC)cc1 2325747888 LFUUGKNMMPFUQN-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 2326489265 LYSUNVIEDDRZCX-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE Cc1cccc(OCc2nnc(SCCCO)n2N=Cc2cccc3ccccc23)c1C 2328862983 GBMIRDOKSUZZOY-UHFFFAOYSA-N 446.576 4.984 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1c(Cl)cccc1Cl 2329038376 QKOFZVADDPJYPZ-ZDUSSCGKSA-N 440.400 4.694 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2329341237 MHLKIVTXKLIZIY-UHFFFAOYSA-N 428.945 4.904 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1cccc(Br)c1 2331003620 BSZBCLXNEIAJHQ-UHFFFAOYSA-N 444.159 4.721 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331376117 FUZQOKOLBGLUFB-UHFFFAOYSA-N 429.477 4.503 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339577318 QXFVVGPUFMIVTB-ASLVEYIASA-N 444.381 4.751 30 10 IJEE C=CCC1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339581560 KQKSGSNOGZDNOS-WYMLVPIESA-N 442.365 4.671 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](Nc1cc(Br)c(C#N)cc1F)[C@@H]2F 2358238541 ZYUVDKSDYCDGHX-HSHDSVGOSA-N 442.304 4.750 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2363625206 ZGGXKCSTGNEHRW-MOPGFXCFSA-N 449.414 4.586 30 10 IJEE Cc1cc(CN2C[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369741332 KDUUKQVJQMOFGR-JTHBVZDNSA-N 448.460 4.637 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Oc1cc(Br)cnc1C#N 2381061646 GALXYCDSOBKHJR-AFTNEDFKSA-N 436.350 4.567 30 10 IJEE C=CCNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(Cl)cc2Cl)cc1 23439319 CRELRZGPLKKXIH-UHFFFAOYSA-N 444.318 4.939 30 10 IJEE O=C1/C(=C/c2cccnc2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 33531904 LQGMEFGPEUYGEK-XYGWBWBKSA-N 426.516 4.858 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)cc1 34955299 FMBUWQRCPBDIBW-LHHJGKSTSA-N 448.471 4.836 30 10 IJEE C[C@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1sc2c(c1C#N)CCCC2 40169838 BKVQMXAZGZPVLH-ZDUSSCGKSA-N 433.562 4.814 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)CN(C)CC3)c1 40570082 QYTHXGOEFIJTLE-UHFFFAOYSA-N 442.588 4.956 30 10 IJEE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc(F)cc1)CCC2 40823864 VUBGUVCDUUEZHB-TURZUDJPSA-N 435.455 4.919 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 59263797 ISNLTZMJWZNBAK-UHFFFAOYSA-N 426.973 4.942 30 10 IJEE COc1ccc(/N=C2\N=C(O)S\C2=C2/C(=O)Nc3ccc(Br)cc32)cc1 97437054 BRWKFSYXXJEKLA-PFONDFGASA-N 430.283 4.512 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 169961170 DDYZZSCPXNUHES-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)OC1(C)C 169979510 CTZMDLMDQZZFRY-UHFFFAOYSA-N 442.193 4.927 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 169984035 LTWCWNQBYRMOIL-HXUWFJFHSA-N 439.439 4.744 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(O)cc1 170137562 CPXZHLODKIBDKT-OAQYLSRUSA-N 435.476 4.916 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)c1 170175178 XETHMPLBWXJGIV-HSZRJFAPSA-N 444.487 4.666 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)cc1 170188198 BVWZWRXSETYRKP-HSZRJFAPSA-N 428.488 4.899 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccncc2)cc1 170201952 XLTRANUVVDZNEF-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 170237353 YUCFHBOFHWJTLC-LJQANCHMSA-N 438.436 4.574 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170238695 IWLXIWUMWNSLTC-JOCHJYFZSA-N 433.410 4.683 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 170261529 CDDBIVPOXVPMJY-XMMPIXPASA-N 436.467 4.719 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccco2)cc1Cl 170287916 JPUGHMFKEJPLLZ-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 170413791 JIXNVBJJMVQKML-QFIPXVFZSA-N 447.560 4.768 30 10 IJEE COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 254558426 IOQNREOOOIMXAI-LJQANCHMSA-N 445.972 4.564 30 10 IJEE CCCOc1cccc(C=NNc2nnc(C)c(NN=Cc3cccc(OCCC)c3)n2)c1 254617213 PERULHOHBHYVKA-UHFFFAOYSA-N 447.543 4.650 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)CCc2nc3ccccc3oc2=O)cc1F 437486788 QVITZQKABWIIOV-UHFFFAOYSA-N 429.407 4.562 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO1 461045347 QGBSFRJNFOKOMT-INIZCTEOSA-N 429.977 4.735 30 10 IJEE Cn1cc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(-c2ccc(C#N)cc2)n1 491089715 NAEVIASAFUPWCW-HSZRJFAPSA-N 445.954 4.560 30 10 IJEE C[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495544720 DEQZDATZCNHGQY-HNNXBMFYSA-N 430.533 4.800 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 503114644 ZQASLRQGYIGSEO-SBUREZEXSA-N 443.544 4.704 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508919624 RLZQOSYVOGOGPX-DLBZAZTESA-N 440.523 4.634 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)N2CCCCC2)CC1 508952096 OSYIVQZWMPVZAA-UHFFFAOYSA-N 429.568 4.513 30 10 IJEE COc1ccc([C@@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490786 PNYKQXFDRRGQMX-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(N(C)C)cc2)cc1 526605614 YCTHRVFWJKISDZ-XMMPIXPASA-N 425.488 4.690 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(Sc3ccccc3)C2=O)cc1 526660977 PVMUETSTGRDXAJ-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526806153 YXAKEKYXRMFIKK-XKZIYDEJSA-N 425.514 4.717 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 532380425 ZHLNJOZTZVYYSD-IBGZPJMESA-N 434.536 4.721 30 10 IJEE C[C@H](NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542089699 FVWAURBXBPZQGY-DFBJGRDBSA-N 438.531 4.559 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(F)c1 609229652 HGAXNXNDGQKFBG-UHFFFAOYSA-N 425.803 4.981 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(C)cc1 733202111 NRSJFGYNSUNMEM-JOCHJYFZSA-N 449.576 4.767 30 10 IJEE CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1cc2c(s1)SCC(=O)N2 778538228 MHSULIBJCXBCKT-UHFFFAOYSA-N 446.561 4.876 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 779618460 DCSKBDFKDUMMGR-GOSISDBHSA-N 449.942 4.597 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)c2)s1 781476693 BHPFWALOYZLHRB-UHFFFAOYSA-N 442.479 4.805 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 783828755 RWGLWRPYYFHDFE-UHFFFAOYSA-N 436.464 4.592 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802602190 GRESWGIKOWIIMF-UHFFFAOYSA-N 432.568 4.635 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c1=S 802746728 HBUOSHURHQCNHW-ROUUACIJSA-N 438.576 4.508 30 10 IJEE C#C[C@H](NC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1)c1ccc(F)cc1 816781482 LWFGFWCWMHCEGM-FQEVSTJZSA-N 448.307 4.557 30 10 IJEE C#CC[C@]1(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCCN1C(=O)OC(C)(C)C 1126309561 IVIXUDCTJSJZDE-RUZDIDTESA-N 449.576 4.696 30 10 IJEE C=CCN(C(=O)COc1cc(Cl)ccc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1128003447 PFSSCXHFBOUOKV-LJQANCHMSA-N 436.335 4.561 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CCCC1(C)C 1128469525 QNPPGCPKHXBRBB-IBGZPJMESA-N 427.010 4.577 30 10 IJEE Cc1ccc(Cl)c2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nc12 1128748013 DZRARIXJDVOMGH-GFCCVEGCSA-N 445.331 4.775 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 1129587912 BQWCHEBRBRNESG-UHFFFAOYSA-N 438.705 4.620 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4ccc(OC)cc4)c(C)s3)n[nH]2)c1C 1135684421 YJTDJIHIHKVPJG-UHFFFAOYSA-N 448.552 4.769 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1)C(=O)OCC 1140925263 DLVWNQNVUQVZEU-QFIPXVFZSA-N 435.499 4.615 30 10 IJEE N#CC1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCC1 1162140704 FLTCNIDSFCDPQU-UHFFFAOYSA-N 449.352 4.654 30 10 IJEE C=CC1(CC(=O)N2C[C@H](C(C)C)Cc3cc(OC)ccc32)CN(C(=O)OC(C)(C)C)C1 1162436163 ZUMGBRCSEQZYMN-LJQANCHMSA-N 428.573 4.670 30 10 IJEE C=CC[C@@H]1CCCN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])C1 1163690588 PIISSUDAYFGPMD-GOSISDBHSA-N 429.542 4.603 30 10 IJEE C=CCn1c(SC/C=C/C(=O)OCC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1164535396 SQCZWBVOASXDAR-VOTSOKGWSA-N 444.553 4.970 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3C[C@@H](C)O[C@H](C4CC4)C3)c2C#N)C1 1193974253 AFXOGXURMSGPJS-MDYRTPRTSA-N 429.630 4.599 30 10 IJEE C=CCc1cc(CNCc2c(Br)c3ccccc3n2C)cc(OC)c1OC 1200269693 ZTBFVWYYXXMKDV-UHFFFAOYSA-N 429.358 4.976 30 10 IJEE C#CCN(C(=O)Nc1ccc(COC(C)(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1201599262 DAHCJZASMLZYSQ-UHFFFAOYSA-N 443.588 4.868 30 10 IJEE C#CCN(C(=O)Nc1cccc(C(=O)OC)c1Br)[C@@H]1CCCc2ccccc21 1204798301 VXPKPENMJRTPRB-LJQANCHMSA-N 441.325 4.780 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc1 1218569180 IYZIIEZMJVYUAX-UHFFFAOYSA-N 428.554 4.680 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](c2cccc(Br)c2)C1)C(C)C 1220598560 WKMKCMCKAJYTFP-PZJWPPBQSA-N 434.422 4.647 30 10 IJEE C#CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 1254738596 RSTKRPNGTXXSAG-LJQANCHMSA-N 442.313 4.580 30 10 IJEE C#CCO[C@@H](C)C(=O)Nc1nc(-c2cc(C)n(Cc3ccccc3Cl)c2C)cs1 1264176302 UZGAWJSFWZWDDW-INIZCTEOSA-N 427.957 4.907 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1275473496 ACURSVDVPOCISW-IPMKNSEASA-N 449.389 4.713 30 10 IJEE C#C[C@H](NC(=O)C(F)(F)c1cccc(Br)c1)c1ccc(Br)cc1 1275474785 RMBZMBBHPDLHMP-HNNXBMFYSA-N 443.085 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(COC(C)(C)C)on1 1286277599 FORBXJUOWKJOKS-AVRDEDQJSA-N 435.572 4.629 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCOc1ccccc1 1286281385 JBZYMHVQYVJZED-OAHLLOKOSA-N 445.386 4.696 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1nc(C(C)(C)C)cs1 1286281680 HOWKCNVGMZBCRK-MRXNPFEDSA-N 430.581 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC(F)(F)F 1286284048 ZVBISHOUWPVVLF-LBPRGKRZSA-N 445.283 4.517 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Br)s2)n1CC=C 1286455837 ZXPDCOJDIGXYTC-UHFFFAOYSA-N 431.334 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1CCCCC1 1286516289 ZUEQLEGNCIWTFY-OAQYLSRUSA-N 430.394 4.619 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C1CCC1 1286593269 LJTYTUPGZKQTAD-WOJBJXKFSA-N 429.609 4.738 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1286597666 ZOSAYRQZXRUNSL-KRWDZBQOSA-N 441.601 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1286643743 UDPOITGCWRHYCS-PXNSSMCTSA-N 443.389 4.845 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCSc2nccs2)CC1 1286660510 MXXNQJRNVKENJG-UHFFFAOYSA-N 426.615 4.690 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccccc2C2(CCC2)C1 1286682849 FAPXSCNVDPALNG-UHFFFAOYSA-N 435.616 4.995 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H](OC)[C@H](C)CC)C1CC1 1286732845 GFKVYGZLVSHRIX-BEFAXECRSA-N 433.394 4.924 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](SC)C1 1286827053 BEINWHJWQQIFOS-GOSISDBHSA-N 448.658 4.603 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CC(C)C)CC(C)(C)C(=O)OC)s1 1288303208 LXIJRAQCKMPYLX-UHFFFAOYSA-N 433.039 4.522 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccccc1 1289585635 CFIJEQNMINXUCK-MHZLTWQESA-N 448.317 4.627 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C(C)C)C1 1300392020 XXMFARDVZXMUGW-INIZCTEOSA-N 431.378 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCOC[C@H]1C 1300603911 YQRMSWNQONFOBS-YLJYHZDGSA-N 435.597 4.509 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCC[C@H](SC)C1 1300741263 QYFJYCPNTLFHBD-SFTDATJTSA-N 428.671 4.908 30 10 IJEE C=C(Br)Cn1c(N2CC[C@H](Oc3ccccc3Cl)C2)nnc1C(C)(C)C 1300861345 GXTVOHMJLAOKMU-AWEZNQCLSA-N 439.785 4.795 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CCC 1300868132 CJQFKRYEGMTCFE-PKOBYXMFSA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCCc1ccccn1 1300879346 CPRDTBLLCBTMAQ-XXBNENTESA-N 435.547 4.529 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCCO1 1301023600 HXBRSQRWSSAFGB-MRXNPFEDSA-N 439.785 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301144054 UDFDAEQGUUJBCN-GOSISDBHSA-N 429.996 4.727 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCC[C@@H](O)C1 1301170549 ZHFGZJCJNJMZNW-VIZSFHNOSA-N 440.588 4.524 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1301201928 BINZIXAVDDVGJB-WOJBJXKFSA-N 441.595 4.834 30 10 IJEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnc(C(C)C)nc1 1301229103 HACNLVLWVRRGIH-UHFFFAOYSA-N 429.572 4.797 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(C(=O)OCC)cc2)nnc1-c1ccc(Cl)cc1 1307250315 FJJKYGMRRWNXIY-UHFFFAOYSA-N 441.940 4.936 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2Cl)nnc1-c1ccc(OC)cc1 1307251800 GMGGXGYXPIMWBN-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE Cc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nnc2-c2ccncc2)cc1 1307278768 GVKZRNUPAPZIDX-NRFANRHFSA-N 425.517 4.606 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 1309491038 HQDMYQSEMZUNIZ-KRWDZBQOSA-N 430.835 4.540 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(Cl)cc2-c2ccc(Cl)cc2)CC1 1310667657 CCOMHWVAKGDAHR-UHFFFAOYSA-N 432.307 4.971 30 10 IJEE Cc1cc(NC(=O)N[C@@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)nn1CC(F)(F)F 1310901904 AUEHHCMFEXKNMA-AWEZNQCLSA-N 437.319 4.799 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1cncc(C)c1)c1ccc2c(c1)OCO2 1349398105 JQHVXCLIMHQAII-DHZHZOJOSA-N 428.488 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1=CCCCC1 1359074418 CIMXROSWPPZJLV-OHUGHZGNSA-N 439.604 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359102221 YMWIXMWHUBGHNQ-WQDJSCAQSA-N 436.572 4.639 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)CC1 1359183879 WUDQLWBLQRVFOO-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359184707 XPFYRFFEUXJYTR-IBGZPJMESA-N 435.572 4.646 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1359188516 PCFGFJUUKSEGGO-YLJYHZDGSA-N 430.980 4.616 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCc2sccc2C1 1359268393 ORNBXYXZGWIQPY-UHFFFAOYSA-N 440.016 4.897 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCc1ccc(Cl)s1 1360480580 CKBPNLZXITZYDS-MRXNPFEDSA-N 438.988 4.977 30 10 IJEE C#Cc1ccccc1CC(=O)N[C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 1456044339 PKXPEBULXQDWFD-DEOSSOPVSA-N 434.333 4.887 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(Br)cc(C(=O)OC)c2Cl)cc1 1458132200 BQCDNVLCXPISGJ-UHFFFAOYSA-N 438.705 4.635 30 10 IJEE N#Cc1ccc(N2CC[C@H](Sc3nc4c(Br)cccc4s3)C2=O)cc1 1459060961 GIZXSQWCHDRDBS-HNNXBMFYSA-N 430.352 4.828 30 10 IJEE C=CCC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1463374387 BYUNKDUSYFQCTK-SFHVURJKSA-N 428.432 4.741 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c1 1465381444 MONGROMMKPSBSS-JOCHJYFZSA-N 443.975 4.878 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2OC)cc1 1465628372 HDNRHBHRXKOVMA-LJQANCHMSA-N 429.314 4.839 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)cc1OC 1468457611 SNNDCWDOSBXVOK-FYGXRCCRSA-N 426.944 4.664 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(F)F 1468857052 LLXPJZHGOPSCCL-YCRPNKLZSA-N 428.479 4.630 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1Cc1ccc(OC)cc1 1469872448 UHBZSKYZDSJBJH-ICSRJNTNSA-N 436.980 4.655 30 10 IJEE C#C[C@H](NC(=O)N1CCSC[C@H]1c1ccc(C)cc1)c1ccc(Br)cc1 1470663248 LNZSAXKILVVQKC-PMACEKPBSA-N 429.383 4.932 30 10 IJEE COC(=O)c1ccc(-c2nc(COc3ccc(Br)cc3C#N)cs2)cc1 1473003185 FLXUKAORJRMJPF-UHFFFAOYSA-N 429.295 4.810 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21 1474244015 JMWBSEYFVHYARR-DFQSSKMNSA-N 447.170 4.652 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 1478806602 JKHGKITWBLYNKU-DNQXCXABSA-N 435.568 4.522 30 10 IJEE CC[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1495451288 AUHLFOLYSDMZJD-WAIKUNEKSA-N 438.482 4.608 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OC)C(C)(C)C 1507663049 QWJBPKLCYZUBGA-PGRDOPGGSA-N 438.641 4.655 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1507699588 FZHXJYRZNWVKOW-FQRUVTKNSA-N 448.590 4.563 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1csc(C)n1 1507781655 FKCUESXVCDEOPR-QGZVFWFLSA-N 445.390 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)CC(C)(C)C1 1507793182 CIZBBYDMGSQTML-POAQFYNOSA-N 429.996 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(Cc2ccccc2)C[C@@H]2CCCO2)nnc1C(C)(C)C 1507811908 UXAVKGJEZPHJMZ-VJBWXMMDSA-N 438.616 4.742 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC2(C)CC2)CC1 1507887266 BHYLREQHFPYXAD-UHFFFAOYSA-N 431.378 4.966 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507898319 QGVRWXCCVKSPCC-QHCPKHFHSA-N 425.621 4.723 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1507958842 IWIHXBVMSQCOEB-UHFFFAOYSA-N 441.479 4.551 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCC[C@@H]1CC 1508012924 HSWKPRXMWDTXGC-QFIPXVFZSA-N 430.600 4.936 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1508019430 DVAVAFPEYFSJEF-FBROZUCGSA-N 428.621 4.580 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)c2c(C)noc2C)c1 1511200987 GIMBNTDYRFSUKJ-SFHVURJKSA-N 448.571 4.704 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(Br)ccc1F 1520237498 YSRPSJPNUKZDHJ-UHFFFAOYSA-N 446.089 4.713 30 10 IJEE N#Cc1cc(NC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)nc2ccccc12 1520853614 BJWJSCHAIONILZ-NRFANRHFSA-N 435.325 4.645 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)c1 1521026324 IPHRCWNMLFWSSM-FQEVSTJZSA-N 435.520 4.862 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@@H]2C)c1 1524421259 RAGBJDDPCIXWJE-HKUYNNGSSA-N 447.000 4.887 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 1527788388 ZKHMCHWMQWCWSO-UHFFFAOYSA-N 435.307 4.598 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 1529485747 NOBMMVRIKYFMNR-NSHDSACASA-N 434.231 4.579 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)c1 1529919254 YHCXWOSOKHSRQD-UHFFFAOYSA-N 428.442 4.709 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 1531613103 VYAWMDAIIVCDAC-ZWKOTPCHSA-N 432.419 4.521 30 10 IJEE Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1531717285 BTGHHRMHKJBQRX-UHFFFAOYSA-N 428.970 4.668 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1ccccc1 1533767255 ZTKGFTYRNOMJBZ-SFTDATJTSA-N 446.638 4.671 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1533767860 WQZQXFRIIPUNRS-WWOZWPLTSA-N 446.491 4.598 30 10 IJEE C=CCC1(C(=O)N2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCCC1 1534657429 BJVXZQAIYDANNN-NRFANRHFSA-N 434.621 4.778 30 10 IJEE CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1535010690 DZTDOGJEMUUYKF-RUZDIDTESA-N 425.532 4.765 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3c4ccccc4OCCN3C(=O)OC(C)(C)C)cc21 1538659008 ZYIYEDCEPCKZLB-JOCHJYFZSA-N 448.523 4.532 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1538971720 FANRXWHRTADGSR-CEXWTWQISA-N 428.024 4.813 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CCCS1 1538992399 QLCWQTOXBVCCQV-YJYMSZOUSA-N 437.382 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1csc(CC)n1 1539031298 YPMSWMWVBWMDLW-KRWDZBQOSA-N 437.613 4.680 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1539075706 FKWFXDMNQNJTHJ-ZEQKJWHPSA-N 443.595 4.672 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCc1cccs1 1539101727 GUNOKOXHJKJSJS-UHFFFAOYSA-N 435.416 4.923 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](OCCC)CC1 1539115879 HZRNEFMJFDIRTD-NRFANRHFSA-N 433.556 4.799 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N(C)Cc1csc(Br)c1 1539123681 BMZIWBVRZMPTRY-UHFFFAOYSA-N 447.377 4.882 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1Cc1cccnc1OCCC 1539392523 RFNINEZDEDLQGG-UHFFFAOYSA-N 447.558 4.947 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1sc(C)nc1C 1539652593 ZBLUZIHPFJZFKY-UHFFFAOYSA-N 441.601 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)c1ccsc1 1539659109 JOFXTJWBXHNVLF-DEOSSOPVSA-N 433.581 4.865 30 10 IJEE CCOC(=O)Cc1cccc(N(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 1539683094 HQEYHWFTQJXTDK-UHFFFAOYSA-N 428.488 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539910984 SAGYKMXKNKAUIX-HXUWFJFHSA-N 449.603 4.606 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC2(CCC2)C1 1540029518 TYYCUFHZIIOTJT-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CCC1CCOCC1 1540120740 VJOHPISIWUZVID-QHCPKHFHSA-N 440.588 4.538 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1C[C@H](F)c1ccc(Br)cc1 1540181987 FAYBXPUWZQSLKF-IBGZPJMESA-N 433.325 4.888 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cc(C)cc(C)c2)C1 1540887578 ZNRREXGTSDTNBH-NRFANRHFSA-N 437.975 4.634 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCSCC2)c1C 1544331939 TTWIAKUJGJWIMG-NRFANRHFSA-N 447.645 4.732 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cscn2)c1 1544984790 BZIVKUCAHDGLNS-QGZVFWFLSA-N 437.949 4.697 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)s1 1545009934 BOOKETBIDHAZOO-UHFFFAOYSA-N 443.985 4.594 30 10 IJEE C#CC[C@]1(C(=O)NCc2cccc(-c3csc(C)n3)c2)CCCN1C(=O)OC(C)(C)C 1557716022 QPFBSVHRNDUDFV-XMMPIXPASA-N 439.581 4.528 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 1562255406 BQHHRBWBASIXLU-HRAATJIYSA-N 430.911 4.564 30 10 IJEE CCOC[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C(C)C 1562759257 CFZOAJNPCROHDV-KRWDZBQOSA-N 440.491 4.807 30 10 IJEE C=CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1565760629 HLVPDCLTMDFHOO-HXUWFJFHSA-N 434.561 4.777 30 10 IJEE C#C[C@@H](NC(=O)c1sccc1NC(=O)c1ccc(Br)cc1)c1ccccc1 1570678026 SMCIEMJZMIYIQV-QGZVFWFLSA-N 439.334 4.867 30 10 IJEE CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1c(C)c(C#N)nn1-c1cccnc1 1583497394 FNACDWSGPQKUPL-INIZCTEOSA-N 427.430 4.674 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2csc(C)n2)c1 1586047227 ZQOXVBOGQOUSFM-IBGZPJMESA-N 429.586 4.984 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(OC)c(OC(F)F)c(OC)c2)C(F)(F)F)cc1 1587315659 TVAHORSUPKOQCG-KRWDZBQOSA-N 430.325 4.747 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCC2)C1 1587758584 CUAOSNAIGFNBTD-HXUWFJFHSA-N 441.620 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CC)Cc1c(F)cccc1F 1589515833 SLDTZMLNHUDMFG-GCJKJVERSA-N 439.510 4.626 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(C#N)cc1 1589742679 WDSFYEHHAKPSNC-UHFFFAOYSA-N 428.359 4.853 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1594193986 UMTMOMMRTWXHAR-WSTZPKSXSA-N 428.552 4.632 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCS2)CC1 1594436930 FLFCSHMNEXNHNM-LJQANCHMSA-N 428.602 4.554 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC[C@H]1CCO[C@H](C)C1 1595119820 GKMGCPQEFLIMIK-GGAORHGYSA-N 431.584 4.662 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCc1sc(C)nc1C 1595259662 AVOGLXFPEAONOB-FQEVSTJZSA-N 441.601 4.664 30 10 IJEE C=CCC[C@@H](NC(=O)CCC(=O)Nc1nnc(C2CC2)o1)c1ccc(C(F)(F)F)cc1 1597058791 UTNNHBSJMUGAPV-MRXNPFEDSA-N 436.434 4.508 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2c(C)nn([C@H](C)CC)c2C)[nH]n1)c1ccccc1 1603511054 RGIHXQDVCGGOET-FOGNVHKLSA-N 425.558 4.714 30 10 IJEE C#CCC1(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)CCCCC1 1611188783 XPCQAEMLZZZQIB-GOSISDBHSA-N 433.980 4.842 30 10 IJEE CC(=O)[C@@](C#N)(CCSc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccccc1 1613385814 CSWIYIOGNHXOHE-VWLOTQADSA-N 445.592 4.790 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H](N(C)C)CC3)c2C#N)C1 1617197822 DLHFOFCUOQHFDM-ZWKOTPCHSA-N 430.662 4.515 30 10 IJEE C=CCC[C@H]1CCCN1CC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 1620642353 RJXPPTBLIQNVRJ-URXFXBBRSA-N 431.580 4.855 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(OCc3cccc(C)c3)cc2)cc1 1622929366 HOTDBEKMNOXGBC-UHFFFAOYSA-N 429.520 4.812 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@H](CO)Cc2ccc(C)c(Br)c2)c1 1623033545 DXVJRGFJPVFVHN-SFHVURJKSA-N 447.373 4.685 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)C(C)C 1628249251 OISSEUBWZAZBEB-OAQYLSRUSA-N 444.982 4.582 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 1631821295 OSYOTRNCCVYGSM-UHFFFAOYSA-N 430.564 4.995 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 1639253521 ARYCDAWJIGDLLC-OAHLLOKOSA-N 448.869 4.726 30 10 IJEE C=CCCC1(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)CCCC1 1641357638 VEBKGYOSHNTWBR-NJYVYQBISA-N 434.621 4.824 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1ccccc1C(C)=O 1641675502 MUPAXOGSCMADPO-AWEZNQCLSA-N 433.321 4.806 30 10 IJEE C[C@H]1CCc2c(sc3nc(CCC(=O)N(C)[C@H](C)c4cccc(C#N)c4)nc(O)c23)C1 1643327837 CPWAXEGYSPRBRK-LSDHHAIUSA-N 434.565 4.546 30 10 IJEE C=CCn1c(SCc2ccc(N3CCOCC3)cc2)nnc1-c1ccc(Cl)cc1 1643413517 QKJYCWFPEKXPGA-UHFFFAOYSA-N 426.973 4.913 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(N3CCCC3=O)ccc2F)cc1OC 1650900695 CYDWBXAHEZSYJJ-UHFFFAOYSA-N 449.320 4.901 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(Br)ccc1C 1651708569 ICLHMXCOEVGBPK-UHFFFAOYSA-N 435.435 4.856 30 10 IJEE C#CCN(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1652653292 NOQHZDRJJVPNRP-FPOVZHCZSA-N 430.614 4.562 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 1655967846 SJDCVESAQMOVQW-UHFFFAOYSA-N 441.622 4.874 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccccc3F)C2=O)nnc1-c1cccc(Cl)c1 1656402798 BPQISWBJSMHFSH-GOSISDBHSA-N 428.920 4.821 30 10 IJEE N#Cc1cccc(NC(=O)CSc2nc3cc(F)ccc3n2CCOc2ccccc2)c1 1656470004 BGHHWSAYOFPLRJ-UHFFFAOYSA-N 446.507 4.857 30 10 IJEE C#C[C@H](N[C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 1659877672 CXHVTNCBMRWRKT-KKSFZXQISA-N 439.353 4.568 30 10 IJEE Cc1ncccc1NC(=O)[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 1666036130 HPDSEVRQUNBPRE-JXFKEZNVSA-N 447.926 4.848 30 10 IJEE CCOc1ccc([C@@H](NS(=O)(=O)c2cc(C#N)ccc2C)c2cccc(Cl)c2)cc1 1668160175 FKPROJBOWYFPCQ-HSZRJFAPSA-N 440.952 4.987 30 10 IJEE C#CCN(C(=O)NCC(CC)(CC)SC)[C@@H]1CCOc2ccc(Br)cc21 1669677201 SPBCXHLPVKTYTH-QGZVFWFLSA-N 439.419 4.839 30 10 IJEE CC[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)Oc1cccc(Cl)c1 1670148308 AJLXYAHCUNWREN-GOSISDBHSA-N 445.922 4.761 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1671851189 CIPFSELMHCNTTK-OXQOHEQNSA-N 437.531 4.918 30 10 IJEE Cc1csc([C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C(F)(F)F)n1 1672525577 HJNPMODOFUGQIP-MRXNPFEDSA-N 433.415 4.936 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F)c1ccccc1 1677512991 MEFQPGODVZIMHN-NRFANRHFSA-N 426.442 4.682 30 10 IJEE COc1ccc(C2=NO[C@@H](CNC(=O)Nc3scc(C(C)(C)C)c3C#N)C2)cc1C 1677859998 AVKQKVZCERELEP-OAHLLOKOSA-N 426.542 4.549 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCCN2CCSC[C@H]12)c1ccc(C(F)(F)F)cc1 1679306432 XQKWCYFVAZDGON-GBESFXJTSA-N 427.536 4.592 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 1680845613 FYEOWLPKKUDEEC-UHFFFAOYSA-N 449.308 4.895 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1684533801 JIBKDJKOKZRPAY-KBMXLJTQSA-N 425.982 4.640 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)[C@H]1CCCc2ccccc21 1686588659 USBLJWBSIYWGNT-OWAUWMPXSA-N 447.554 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1CCCC[C@H]1C 1689846435 JTAAHQDOICJLHZ-NHCUHLMSSA-N 432.616 4.549 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC[C@H](C2CCC2)C1 1689912818 BJTNICKWVQZKMJ-FYYLOGMGSA-N 436.600 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Cc1cccs1 1690208929 COHUAPNWDWQFPX-KSFYIVLOSA-N 425.627 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1CC 1690253733 SMAGFCGOTGWCGY-KPLVRAHFSA-N 430.980 4.871 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(C)C)CC1 1690319097 CQGQBWSCMKREEF-UHFFFAOYSA-N 432.996 4.976 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)[C@H](C)CC)C1CC1 1690540986 JDKACNIFQRVTLY-QVKFZJNVSA-N 433.394 4.660 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1690600937 KHLGEDGJYFITOH-TUFLPTIASA-N 441.620 4.965 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOCC(=C)C 1705477573 PUAWXLVSLHKCDX-RBUKOAKNSA-N 430.980 4.739 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H](c1cccs1)N(C)C 1705619343 NSYMAUSECYFFPP-RXVVDRJESA-N 439.604 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC(C)(C)COCC 1705669279 ICIOQLPBUCLVNJ-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1 1705705413 HJWODWQPNGZZET-WGGBDISSSA-N 437.613 4.812 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC(C)C)C1 1705724992 DGQPCGSLBHCEMS-VQTJNVASSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCCN2CCCC2)CC1 1705785356 FKYXSCATKBWRLN-DHIUTWEWSA-N 443.680 4.865 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 1705817875 VAMFTQRJSXNJQV-CQSZACIVSA-N 425.396 4.599 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722338804 SRSGWGFGXSXRNN-YKSBVNFPSA-N 436.600 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1722511975 SILNQAUMNOJNKX-WIOPSUGQSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCC1CCN(CC)CC1 1722516379 ZEVBLVUDCQRXMI-UHFFFAOYSA-N 434.632 4.806 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(Cc1c(F)cccc1F)C1CC1 1722579547 HXSALWGUCYDZHH-UHFFFAOYSA-N 435.931 4.834 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 1722598048 YXGYSXTWPFFBGZ-OFNKIYASSA-N 431.584 4.628 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCC1 1722623150 AEDKJENYZRZNSG-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](C)c1nc(C)cs1 1722662749 LAWACMYNJDJXQT-HNNXBMFYSA-N 437.598 4.558 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1722678085 KYZIQJKIVOCJKY-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1)C1CCCC1 1728736472 CRYNDLYVRNSGBT-AVRDEDQJSA-N 439.629 4.744 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 1740570748 SDWKVTAFSYXXFC-FQEVSTJZSA-N 430.980 4.662 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@H]1C 1740575408 NTFVLJWNQWMMGV-WOJBJXKFSA-N 443.636 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1N(C)CCCC1(C)C 1740728305 VDKFGRYZNDWEHT-GBXCKJPGSA-N 443.998 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cccc(Br)c1 1740761396 NKBGUOSPCPRDSO-QUCCMNQESA-N 445.405 4.926 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1740833648 VDCUDTKAWPYDQU-UYAOXDASSA-N 443.636 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1740850372 IPOTZMCHGSVZSX-PMACEKPBSA-N 443.636 4.669 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1740874255 QKPIYCOUBPUHBD-UHFFFAOYSA-N 434.487 4.868 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC1(OC)CCCC1 1740920891 HZQYGWQLTRYNTD-UHFFFAOYSA-N 435.547 4.939 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(F)cn1 1740923821 WNLSCCPDXVVDIO-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CCN(CC)C(=O)OC(C)(C)C 1740929390 SGTKYLUYJCLYHD-UHFFFAOYSA-N 429.540 4.520 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@@H]1CC 1748907888 PEQIOUQLOZYAFM-CTNGQTDRSA-N 444.023 4.796 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](CC(C)C)C1 1749023613 YGKRXDRJRXEMQP-KRWDZBQOSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1749072153 HGPFRLVBYMJEJI-QHWMMSMNSA-N 433.644 4.566 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nc(C)c(C)s1 1749148214 ZXCNXCZPIIZTBP-UHFFFAOYSA-N 435.395 4.560 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2ccc(Cl)nc2C1 1749175991 VWOGPOKFDUDJLI-UHFFFAOYSA-N 431.874 4.734 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(F)F)C1 1749219324 DRTVVVVQSUQKKD-SFHVURJKSA-N 427.499 4.568 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749417550 KOXVMIMSZZULHG-UHFFFAOYSA-N 437.632 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(-c2ccccc2)n1 1749473872 GTNLVNZFTLNTNO-UHFFFAOYSA-N 436.972 4.982 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](OC)C(C)(C)C)C1CC1 1749508638 VXJBGRSCPFRDQQ-SFHVURJKSA-N 433.394 4.924 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCN1CCC 1749583063 VIJDXAVJQJNZDY-YPAWHYETSA-N 429.653 4.640 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1749616175 UKAUWCIXVRZJRF-FPOVZHCZSA-N 439.604 4.747 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(OC)CC2)cc1 1749683768 FYIGWVBYTXNYFK-DHLKQENFSA-N 440.588 4.528 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCOC1CCCCCC1 1751097014 BUFVRGFPXOPDIO-FQEVSTJZSA-N 434.588 4.759 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1751112251 DEAIYWYNFPWIBC-LJQANCHMSA-N 442.592 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C(C)C)N1CCCC1 1760098662 VVHSTZVWQJVZHI-IPJJNNNSSA-N 444.023 4.650 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C)(C#N)CC1 1760131456 SPJUUFGLCFOCAX-FQEVSTJZSA-N 435.572 4.750 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1760242020 QULMRXWENZEFAP-OTNCWRBYSA-N 440.563 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CC)C1 1760316445 RZHHDRXLEYXRLR-VWNVYAMZSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1noc2c1CCCC2 1760340762 NLDGAAICBMKVAT-UHFFFAOYSA-N 435.572 4.791 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCO[C@H](C)C2)CC1 1760396397 CIXDSRHACWFXSZ-WSTZPKSXSA-N 428.552 4.775 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)c1ccccc1 1760420596 RIKCXUYCDWTFHY-FYYLOGMGSA-N 438.616 4.611 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H](C)C1)C(C)C 1760488539 XWZGDXGOCUWIMB-TZBSWOFLSA-N 446.643 4.998 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1760488801 GAYFTHGAMRXWEI-JQYIIUTOSA-N 436.600 4.727 30 10 IJEE COCCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H](C#N)c1cccc(Br)c1 1857960309 IWSMEDLJQDHKRP-ILYDUKKLSA-N 431.374 4.705 30 10 IJEE Cc1cc(C)c(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C#N)c(C)c1 1858833005 SGLVIOMSLGHNAB-UHFFFAOYSA-N 429.480 4.540 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862412286 ATHRYUTWECGAJU-JOCHJYFZSA-N 435.426 4.622 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC)c1 1862472241 HADVZMALWVSIHR-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862592584 GBKRAPRQCKRMNV-JOCHJYFZSA-N 437.536 4.693 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862595837 QKJRGTSQRJZMMU-HSZRJFAPSA-N 428.488 4.689 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862676019 YNPIWTYHXAMKSW-OAQYLSRUSA-N 444.934 4.789 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1O 1862677255 BTJAFABTQMZSLE-IQMFZBJNSA-N 447.462 4.879 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862697852 TVBWPSVJWLNWEA-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc4c3CCCC4)=C(c3ccc(F)cc3)C2=O)cc1 1862769290 GMHHBBVOSAUTRN-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCC3)C2=O)cc1 1863216625 VXPIVMDMAFATIV-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(CCC2=CCCCC2)C1=O 1863430152 UHNZEOICCVGFIG-UHFFFAOYSA-N 427.504 4.649 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2ccc(OCC)cc2)C1=O 1863568955 YFTDMEBFAVPLAD-IHAPDJFTSA-N 434.580 4.546 30 10 IJEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N([C@H]2CCCC[C@@H]2C)C1=O 1863707646 BLFGPQUHBYLHSP-CVDCTZTESA-N 430.548 4.700 30 10 IJEE Cc1c(Cl)ccc2c(O)cc(C(=O)Nc3c(C#N)c(-c4ccccc4F)nn3C)nc12 1866509647 TVIDXSSGSMUDFO-UHFFFAOYSA-N 435.846 4.566 30 10 IJEE CC(C)(NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866763785 NLEVWQPBSZLYGG-QFIPXVFZSA-N 447.485 4.892 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868268180 CNCVDBAAPQYPHO-QFIPXVFZSA-N 444.970 4.727 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc(C(F)(F)F)cc1 1870107983 JOTWGZSVDJRCFU-UHFFFAOYSA-N 440.212 4.776 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(Cl)cccc2Cl)c(=O)cc1CSCC 1870257724 FKLKBMTVUJHVIA-UHFFFAOYSA-N 427.353 4.612 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2)cn1Cc1ccc(OC)cc1 1870469989 WRMDDWSIYJPQNJ-UHFFFAOYSA-N 430.548 4.658 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CN(CCC)CCCC 1870752301 YSCBUNBZSYHLPB-UHFFFAOYSA-N 439.600 4.681 30 10 IJEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871430681 OINOKSXZCCHFJI-NHDPSOOVSA-N 428.419 4.978 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)s1 1871444320 XRDOOHRJDIGZEI-CCRNYGKSSA-N 449.532 4.740 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)OCCOc1ccccc1 1871461545 RDJHSWBTYMWAFC-OBJYXWAWSA-N 442.467 4.860 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872087506 OSOWJUVCSQLAHN-QRWLVFNGSA-N 438.590 4.816 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1872171671 LAWAXTYIHHYAMN-GOSISDBHSA-N 448.560 4.599 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641794 MWQMIPSHLZPYQL-UHFFFAOYSA-N 437.507 4.666 30 10 IJEE OCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874281519 NCLWAQPYVYATJF-PCLIKHOPSA-N 436.968 4.837 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccccn1 1874311968 XWQPMGLRCCANBP-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 1874428356 FQQDZNIIEVKTEI-AFUMVMLFSA-N 432.480 4.957 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874431709 YEXTXVLJXUHVHC-YSURURNPSA-N 448.379 4.704 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)c1 1874466274 VVNPMUOQMMRBNT-WSDLNYQXSA-N 435.465 4.635 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CC2)cc1 1874518402 RCVSLLBNWQHIMG-MFKUBSTISA-N 449.580 4.866 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 1874613832 PQUQACAFDWMPLW-RIYZIHGNSA-N 446.459 4.907 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)[C@@H](C)C1CC1 1901486578 WQYBWHBUOZULJL-AVRWGWEMSA-N 445.563 4.844 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)[C@H](C)C1CC1 1901486581 WQYBWHBUOZULJL-IQGLISFBSA-N 445.563 4.844 30 10 IJEE CCCCCCCCC=CCCCCCCCC1=NCCN1CCNCCNCCN 1933246590 NINKGRYZTNGWOE-UHFFFAOYSA-N 435.745 4.876 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2032368176 HRUNCBIUOZHRGL-PKOBYXMFSA-N 445.560 4.976 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Cl)ccc(Br)c1F 2058348582 CFNGZSQVPKPWDF-BBRMVZONSA-N 433.749 4.809 30 10 IJEE CCc1nn([C@H](c2ccc(OC)cc2)C(C)(C)C)c(I)c1C=NO 2080022178 GPXFMLXCYYQUCI-MRXNPFEDSA-N 441.313 4.502 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1F 2080106224 VVBDCUYWEXPRLG-KRWDZBQOSA-N 439.272 4.630 30 10 IJEE C#CCN(C[C@@H](Cc1cc(Cl)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 2110494111 DHAXZJFUGQOCHP-GOSISDBHSA-N 443.813 4.884 30 10 IJEE Cc1cc(Br)c(C(=O)N[C@H]2CCCC[C@@H]2C#N)cc1NC(=O)OC(C)(C)C 2181046377 KRKQYIYLKXLAJC-CJNGLKHVSA-N 436.350 4.917 30 10 IJEE CCN[C@@H](C#Cc1cccc(Cl)c1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216975864 WTMGXFOAZYZZKO-XZOQPEGZSA-N 442.987 4.780 30 10 IJEE CN[C@@H](C#Cc1ccc(C)cc1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2231148396 LNZDTZKWDSIGSQ-LBNVMWSVSA-N 448.607 4.779 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 2235720081 BSDQWYKNWNDVLS-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255633997 KOPKULKQPWKJEG-UHFFFAOYSA-N 442.796 4.723 30 10 IJEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCC1 2267497361 LGNJTUXUPWNNBB-UHFFFAOYSA-N 436.405 4.640 30 10 IJEE CC1(C)OB(c2cnc(N[C@@H]3CC[C@H]3OCc3ccccc3)c(C(F)(F)F)c2)OC1(C)C 2272994883 CNGMQKQFNXEDGF-RTBURBONSA-N 448.294 4.559 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCC 2273848326 FBCZVRRBSGDSLF-ROUUACIJSA-N 429.374 4.968 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)C#Cc1ccc(Br)cc1 2296228460 ZGRSSEVDAIFRFK-MOPGFXCFSA-N 434.374 4.899 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2296230745 WPUOYJFMMKMNKO-AQNXPRMDSA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(O)C#Cc2ccc(Br)cc2)cc1 2296284563 SAXXQEOFCNMQCF-JOCHJYFZSA-N 430.342 4.733 30 10 IJEE COc1ccc([C@H](N)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1 2296305075 OMPFXLMVMYXVKM-GOSISDBHSA-N 431.330 4.856 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@H]1c1ccccc1Cl 2296923447 GORRAJAFVGSUAJ-HSZRJFAPSA-N 438.955 4.660 30 10 IJEE COc1cc(C=NCc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2297564938 LSBSCLPSOBJSRV-UHFFFAOYSA-N 435.476 4.559 30 10 IJEE C#C[C@@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC(C)(C)C[C@H]1OCc1ccccc1 2300080712 RIQZIVNLROPJCC-ATIYNZHBSA-N 426.601 4.707 30 10 IJEE CCCOc1ccc(C=C2SC(=Nc3ccc(C(=O)O)c(O)c3)N(CC)C2=O)cc1 2314927091 ZETCOPDLOSAYOU-UHFFFAOYSA-N 426.494 4.503 30 10 IJEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1OC 2318571890 VJKQMAHWPZXPBT-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1)O3)CN(CCCCN(C)C)CO2 2322122706 YGDCZEQVJDRITI-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)c1 2322274140 QAPXGHSXEXYUHR-UHFFFAOYSA-N 433.493 4.522 30 10 IJEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)c1 2322381392 HXUGMQSKEXXQAW-UHFFFAOYSA-N 432.564 4.948 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c2C1=O 2323034994 FQFDMHPAHFTRKP-UHFFFAOYSA-N 427.667 4.895 30 10 IJEE COC(=O)c1sc(NN=Cc2ccc(OC)c(Br)c2)nc1-c1ccccc1 2323840461 GKGDTPXXBOBUCI-UHFFFAOYSA-N 446.326 4.814 30 10 IJEE O=C(Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)c1cccc(OC(=O)c2ccco2)c1 2323965860 PEKLHZNPTPDOBW-UHFFFAOYSA-N 442.379 4.927 30 10 IJEE CCN(CC)CCOC(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc(C(C)C)cc2)cc1 2325493233 WJWAXRIVQPOHMN-UHFFFAOYSA-N 436.552 4.530 30 10 IJEE COC(=O)c1ccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1 2326094628 UOTGTQBKOCHDOL-UHFFFAOYSA-N 444.944 4.518 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326315550 XGDPFUGIUBIATM-UHFFFAOYSA-N 439.541 4.755 30 10 IJEE CSc1nnc(CCc2ccccc2C)n1N=Cc1cc(Br)ccc1F 2329462919 FVNNVODYQBIHMY-UHFFFAOYSA-N 433.350 4.877 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330200121 NTAWGLGJUGJURG-UHFFFAOYSA-N 449.363 4.517 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)ccc1O 2330637190 IGCGSWHRMXNJTD-UHFFFAOYSA-N 449.467 4.873 30 10 IJEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SC)ccc1OC(=O)c1ccccc1 2330799822 HOKTXDRCLHJGIJ-UHFFFAOYSA-N 438.553 4.699 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1c(OC)cccc1OC 2331081255 PMBICVKBWVYJTK-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])c1 2331093005 RDSULRKOEDUYNF-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2cccs2)cc1C 2331109838 XYKRLCKJQUOMMA-UHFFFAOYSA-N 439.488 4.588 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccccc1F 2331175827 DRIWCWPJLINABP-UHFFFAOYSA-N 449.511 4.853 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2sccc2C)c1 2331436129 KIIYKEQZOFMWJH-UHFFFAOYSA-N 427.599 4.768 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cc(C)ccc2O)c1 2331497899 MLBOPTLMRPTKMB-UHFFFAOYSA-N 449.580 4.789 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1c[nH]c2ccccc12 2331726347 WXYTXZPXUIRPQS-UHFFFAOYSA-N 444.564 4.812 30 10 IJEE C[C@@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1C(=O)OC(C)(C)C 2339574763 MPDVEPDVHGMMGC-CONOYDDESA-N 443.397 4.560 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339594726 YPUWVVZMFSBVCJ-SWDTZWKESA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339601439 YNTVYSSABWKGIK-RBUKOAKNSA-N 444.381 4.798 30 10 IJEE C[C@H](Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)c1cscc1Br 2345744048 WXNKNAOHTZXBCB-JTQLQIEISA-N 427.148 4.517 30 10 IJEE CC1(C)C[C@@H](SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)CO1 2349807012 GPXDKJDUHRERDQ-CQSZACIVSA-N 427.213 4.549 30 10 IJEE CC#CCN(C[C@H](NCCC)c1cc(Br)cc(OC)c1)C(=O)OC(C)(C)C 2363124854 GLLCOGVZPIJXJI-IBGZPJMESA-N 439.394 4.759 30 10 IJEE Cc1cc(COCc2cc(I)ccc2Br)ccc1C#N 2367271080 KXGJGMPZNQGWGD-UHFFFAOYSA-N 442.094 4.951 30 10 IJEE Cc1cc(CN[C@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2369699095 NETIIUDHUHWQAS-VWLOTQADSA-N 448.460 4.685 30 10 IJEE N#Cc1ccc(F)c(COCc2ccc(I)c(Br)c2)c1 2377633936 AQZNMAFFPZTJRB-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE CCc1ccccc1N/C=C1/C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O 20575915 PUJPTGURHPBBDK-MOSHPQCFSA-N 442.537 4.936 30 10 IJEE CC/C(=N\Nc1nc(SCCC(=O)Nc2ccccc2Cl)n[nH]1)c1ccccc1 21081660 CGEBIOLRTMCXCB-LFVJCYFKSA-N 428.949 4.805 30 10 IJEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)cc1 32943467 NSSDMUUERSBRJG-UHFFFAOYSA-N 430.483 4.756 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)c1 33378908 NXEQGEKTQCXLEW-JOCHJYFZSA-N 429.428 4.813 30 10 IJEE COc1ccccc1/C=N\N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccco1 47138402 FNGOCYJNVYAQNV-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3F)n2)cc1 59014956 AFAOPVYHTUMGKQ-CHOFVFFHSA-N 426.521 4.634 30 10 IJEE C=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)N(C)c2ccccc2)c1 66091885 BBDNKVODOXSWHM-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 84603288 GUERPVMWCQXYEU-IHEPTZRRSA-N 444.656 4.820 30 10 IJEE in-vitro COc1ccc(C/N=C(/C)c2c(C(F)(F)F)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 101900120 FCVZWQYRDUOGER-ROTLSHHCSA-N 446.454 4.812 30 10 IJEE C/C(=N\NC(=N)S[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 105609207 XKENEUSJIBRRMX-XDQFAZSOSA-N 442.544 4.667 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)c1 169944764 WGHXJLZDLQUMGW-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@H]3c3cccnc3)nc2c1 170014245 NWOMYHPMUGVIPZ-JOCHJYFZSA-N 438.487 4.666 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2)cc1 170052869 WPSDZSAETHGAEZ-HXUWFJFHSA-N 434.517 4.942 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cn(C)c2ccccc12 170085548 PNSDDDOCTDRBJP-QHCPKHFHSA-N 430.504 4.708 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c1 170102776 YOOGQSXZGNOKHE-HSZRJFAPSA-N 449.478 4.947 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103270 VWFRJGBBKXUPJK-FQEVSTJZSA-N 431.423 4.695 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(OC)cc1 170112911 UFENHOVSYFZASN-QFIPXVFZSA-N 437.536 4.526 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)cc1 170169170 WCRUNWNJYGZNDT-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccnc1 170189710 ZABVUEXXVKIVFS-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)c1 170218722 HPCBGKROKPVQFK-NRFANRHFSA-N 436.464 4.514 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1OC 170234231 DFZULXDRIVQYMI-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccc(O)c1 170262862 CCBSJQAYSIMFCY-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccco1 170287903 ZWZBISLVBMYMGL-HSZRJFAPSA-N 429.472 4.950 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccccn2)o1 170307265 FYPHNSKWPLWGCW-HSZRJFAPSA-N 428.488 4.640 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H]1c1cccs1 170478181 ZOFSDZOYTSWZOG-HNNXBMFYSA-N 443.506 4.781 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@@H]1c1ccccn1 170478894 VRVUPYTTZBTIND-GOSISDBHSA-N 445.903 4.999 30 10 IJEE Cc1c(C#N)c(N=CN(C)C)c(C(=O)c2ccccc2)n1-c1ccc(Br)cc1 254496821 CVYXISCCFLQCME-UHFFFAOYSA-N 435.325 4.872 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 379478305 JKJJXYNGRPQHBL-UHFFFAOYSA-N 425.334 4.912 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)O[C@@H](C)C2 503868178 CDXHTTKRBRBFRB-OZWPHOJSSA-N 428.532 4.700 30 10 IJEE N#C[C@H](NC(=O)c1c(F)cccc1I)c1c(Cl)cccc1Cl 505506287 LADLPMRLBWSVMR-LBPRGKRZSA-N 449.050 4.732 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(C(=O)c2sc3ccccc3c2C)CC1 515373879 GHTOOVVAOZXPDX-UHFFFAOYSA-N 447.564 4.600 30 10 IJEE CN(C)c1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccccc3C#N)C2=O)c1 526659149 JZSQRQXYLCLSGJ-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1[N+](=O)[O-] 526824907 ABTPLGALPBBRIB-UUYOSTAYSA-N 429.477 4.597 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2/N=C\c2c(F)cccc2Cl)o1 526830257 UKBSXMGYFZPNEJ-YVNNLAQVSA-N 436.896 4.577 30 10 IJEE C[C@H](N[C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 539251001 HPBBHPZLROMHQR-IRXDYDNUSA-N 446.576 4.760 30 10 IJEE C=C(C)Cn1c(SCc2nc(-c3cccc(-n4cccn4)c3)no2)nnc1-c1ccco1 546393258 DSCACDVOXSHGCG-UHFFFAOYSA-N 445.508 4.642 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 549641563 RAHPTXNQKNEEHX-SANMLTNESA-N 446.551 4.564 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 549684354 SLKWYPWDDCUFSN-NRFANRHFSA-N 435.535 4.871 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccccc2)c1 619818785 KUILRDOKHIFVCO-VWLOTQADSA-N 433.531 4.779 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC2(CC1)OCc1ccccc12 670221838 VFEKUFCRFDQVFN-HSZRJFAPSA-N 428.536 4.556 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C2CCN(CC2)C12CC2 716097138 WLVWHDRTSCQKDS-OAQYLSRUSA-N 432.362 4.711 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(I)c(Br)c2)CC1 724459070 FQVTVGADOYQMCH-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1ccc(OC)cc1 725380157 URCWLYBZBDRWMN-GOSISDBHSA-N 431.945 4.637 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)ON=C(c1ccccc1)C(F)(F)F 751965080 HWXSGOOSVZAXBQ-INIZCTEOSA-N 430.430 4.799 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1cc(OC)ccc1OC)=C(/O)c1ccc(C#N)cc1 762438608 AMORCEQSQOUDPT-UHFFFAOYSA-O 446.552 4.749 30 10 IJEE C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C 774257481 QERLIQBYESBTOP-TZIWHRDSSA-N 443.519 4.658 30 10 IJEE CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1 1124671061 FIMWQRMICIKOJI-HRAATJIYSA-N 430.335 4.731 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)cc2C1=O 1127579603 REODLHONJDHWCM-UHFFFAOYSA-N 442.437 4.507 30 10 IJEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1136937307 DMOUMWANRDSJAL-HXUWFJFHSA-N 436.512 4.864 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 1161613799 ATXOOPLVDOBUGP-UHFFFAOYSA-N 437.490 4.810 30 10 IJEE C=CCn1c(S[C@@H](C)c2nc(C)cc(O)n2)nc2cc(-c3ccccc3)sc2c1=O 1165303863 TXKNBWZLKUVPDK-AWEZNQCLSA-N 436.562 4.968 30 10 IJEE C=CCSc1ccccc1NC(=O)Cn1c(C)nc(Br)c1Br 1166880366 YVFUDIWZJBMNJS-UHFFFAOYSA-N 445.180 4.633 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1OC 1168808888 PIBUHQQROSZTQZ-AREMUKBSSA-N 443.543 4.801 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cc(Br)ccc1Cl 1190208054 GRJWLUSEHZLZTK-UHFFFAOYSA-N 446.798 4.647 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC([C@@H](O)c2cccc(OC)c2)CC1)c1ccc(F)c(F)c1 1226658403 BRHTUPZUQQZXKF-DHIUTWEWSA-N 430.495 4.746 30 10 IJEE C#CCOc1ccc(CNC(=O)N(C)[C@H](CC)Cc2ccccc2Br)cc1 1228795620 HFEPWQFQZJFYLR-LJQANCHMSA-N 429.358 4.624 30 10 IJEE COc1ccccc1Oc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)nc1 1271847149 CRTGKZHTVQZALL-UHFFFAOYSA-N 447.466 4.577 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286276017 QHNWEHZVCKOWEJ-VWPQPMDRSA-N 444.627 4.628 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1286323589 IVSUNRIXAFCFIP-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1286334676 XYYJNFHNIFQINT-QFIPXVFZSA-N 449.643 4.706 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@@H]1CCCCO1 1286360231 FDSKAALGDNTLIA-QUCCMNQESA-N 430.980 4.717 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1286440814 ALZURPNVFVYOJR-XMSQKQJNSA-N 437.588 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1286556288 BXHPOXOHFVXNOE-YDHSSHFGSA-N 445.007 4.769 30 10 IJEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC2CCCCC2)CC1 1286632208 FTKXCVPCYWVHPM-UHFFFAOYSA-N 444.023 4.620 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)OC)CC1 1286664416 XJFFWXFJPAQKMS-CQSZACIVSA-N 425.360 4.601 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1286671779 ZGYNTDMWDYXNKQ-PKTZIBPZSA-N 438.616 4.915 30 10 IJEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1cccs1 1286711243 JWWHAALYTKWBIW-YLJYHZDGSA-N 440.569 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@@H](c1ccco1)N1CCCCC1 1286739285 WTZRYMXPRNYRBX-QHCPKHFHSA-N 435.572 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCOc1ccc(C)cc1 1286748149 QTROPFSIBYSNJD-UHFFFAOYSA-N 431.565 4.982 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccsc2)cc1 1286797225 SGTIUVJYZXZDOI-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)c2ncc(C)s2)C1 1286808369 VYKANLBFLOKIBW-RXVVDRJESA-N 437.613 4.527 30 10 IJEE C=CCSCCn1c(N2CCCC[C@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1286836939 RWIBEPULUGCTQD-NRFANRHFSA-N 440.657 4.920 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCOC1)c1cccnc1 1287155105 AEKWAGKZSPQNQK-QPPBQGQZSA-N 444.583 4.514 30 10 IJEE C#CCC1(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CCCCC1 1289218162 WJVKYGLEXDYLMB-UHFFFAOYSA-N 430.577 4.869 30 10 IJEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)CCC1 1299790949 GSJOAUGKRGAVEC-NRFANRHFSA-N 437.588 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(CC)Cc1ccc(Cl)s1 1300884184 IJIWNMQOTJHCSY-MDZRGWNJSA-N 437.009 4.505 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301186045 QNDVFYVCCNPFRA-UHFFFAOYSA-N 433.604 4.735 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301207683 DLRGCBVFMIFJQL-UHFFFAOYSA-N 431.968 4.622 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1301238915 HJOSBRUTFHSJED-ZWKOTPCHSA-N 447.649 4.716 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1(OC)CCCCC1 1301340626 AVMRGCFHPYXWJS-JOCHJYFZSA-N 435.572 4.543 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1Cc1ccnc(OC2CCOCC2)c1 1301342044 REHIEMWTYNAMFJ-UHFFFAOYSA-N 447.583 4.595 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@H](F)C1 1301414584 FUEBVHYXJXSLFB-LNLFQRSKSA-N 432.609 4.908 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1301601747 ILVCJMWWNXKLSW-LJQANCHMSA-N 429.540 4.608 30 10 IJEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1)C(C)C 1303295385 DGHZWXUFLJZVGR-UPVQGACJSA-N 434.632 4.952 30 10 IJEE Cc1c(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)[C@H](C)CC#N)cnn1C 1304102382 BJHUKZZPNREEDG-CYBMUJFWSA-N 439.976 4.642 30 10 IJEE CCc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1305970291 DEFMALKEZMZSJS-XLGIIRLISA-N 435.616 4.937 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 1307452018 BSDKLXXZAIOTLK-WZONZLPQSA-N 443.950 4.805 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(F)cc1 1309523526 IDGZJQURVSPGFQ-NRFANRHFSA-N 444.325 4.908 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1)C(C)C 1311389253 XNLGJQMGXZSMSI-RDGATRHJSA-N 435.616 4.664 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(F)cc1 1311438685 RGLPAIMPBXCCKW-LOSJGSFVSA-N 432.495 4.800 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccsc2)cc1 1314192101 ARDCGHLNYXZNOX-DLBZAZTESA-N 425.558 4.522 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ocnc1C(F)F)c1ccc2c(c1)OCCO2 1351531650 LEJRDBRMOKICLU-UHFFFAOYSA-N 442.418 4.795 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 1356319542 PEPUQLFPDPUWKX-UHFFFAOYSA-N 430.504 4.751 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H](CCOC)Cc1cccc(Br)c1 1358378000 OLSSUZYBVCFSRI-GOSISDBHSA-N 434.349 4.998 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1359001886 GMXADCYSSPVZCK-TZMCWYRMSA-N 444.299 4.789 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1359090398 ARDUSXHWZYQNHV-WKALQJFBSA-N 442.579 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCc1cccs1 1359092392 ALQNDPUSHUENRP-KNQAVFIVSA-N 438.597 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)SC 1359112639 PCDNXWIPKZGKJA-KRWDZBQOSA-N 437.654 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)c1cccc(C)c1 1359116057 WCHRLUXHDNOTHI-IBGZPJMESA-N 437.613 4.784 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1csc(CCc2ccccc2)n1 1359116593 QYUKZJZFWGLPGX-OAQYLSRUSA-N 437.613 4.822 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(F)(F)F)CC1 1359134216 OPBGVCPHJOWVAU-UHFFFAOYSA-N 444.448 4.519 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1359167199 XJFBCGJOPLYZQH-NRFANRHFSA-N 448.514 4.537 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359199684 DCGQFCPTCGNIKW-GOSISDBHSA-N 447.986 4.979 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1ccncc1Cl 1359254430 QXKFZWTXIIQJRN-UHFFFAOYSA-N 448.958 4.582 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@H](c1ccsc1)N(C)C 1359256038 SLZKCBSGHMQVJR-QFIPXVFZSA-N 432.597 4.584 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1359289489 KPQPMCQCKIUWQK-DLBZAZTESA-N 431.378 4.822 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(C)(F)F)C1 1359314145 WUNJOIKMVIYBLX-MAUKXSAKSA-N 440.922 4.898 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 1435822345 RLBSZLIDQFQGPI-UHFFFAOYSA-N 438.490 4.668 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC2CCCCC2)c2ccccc2)s1 1442903258 GJTOECVIVHDWLX-OAQYLSRUSA-N 446.638 4.583 30 10 IJEE C#C[C@H](NC(=O)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1450274539 REYQNKDDJSSMEK-JLSDUUJJSA-N 437.378 4.569 30 10 IJEE C=C(CC(C)C)C(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1456149364 YDDNPBBMSLFDKY-WOJBJXKFSA-N 428.573 4.745 30 10 IJEE Cc1ccc(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)c(OCC(F)(F)F)c1 1458242163 IFLNMTDQPIGJOM-UHFFFAOYSA-N 445.356 4.981 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1 1459259422 BBDXNDNHWIQDQR-BGYRXZFFSA-N 436.552 4.558 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 1460444492 HSXKCZROUGCEAF-UHFFFAOYSA-N 437.290 4.797 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc23)s1 1461453964 SIQRPJCUNUGOLJ-UHFFFAOYSA-N 434.930 4.934 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1464803516 FMFPTRIPDSARHC-SQFISAMPSA-N 432.398 4.707 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1464909174 QLLKYNUBLMZSPW-UHFFFAOYSA-N 426.376 4.746 30 10 IJEE C#CC(C)(C)NC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1465166290 WBLIBNYMIJGKDD-FQEVSTJZSA-N 444.575 4.956 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)c1 1475161474 BQTAAELZVMWYHI-HSZRJFAPSA-N 426.582 4.642 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)COc1ccc(F)cc1F 1476729658 XBDREPBVWWSNMI-LBPRGKRZSA-N 441.272 4.881 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccccc2)C1 1478416774 ACTDBZPQNRVKNJ-KUWBRRTOSA-N 427.552 4.730 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@@H](F)C1 1504447074 BKAJUQXKAHJTRC-RBUKOAKNSA-N 443.592 4.847 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@H](F)C1 1504876695 AKSOQYVAFIQHHX-PZJWPPBQSA-N 437.519 4.509 30 10 IJEE CS[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C#N)c1)C(C)(C)C 1505179491 HZCCWEHPJNZNRQ-OAQYLSRUSA-N 434.613 4.550 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCCC2)CC1 1507557082 NRYAGMKYNNSPCY-QHCPKHFHSA-N 449.643 4.903 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C/C(C)=C\c1ccccc1 1507566523 KSEUDFYPTFQHPP-PYCFMQQDSA-N 438.579 4.860 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(Cl)s1 1507645334 XOBNVYUSNWCUFJ-OAHLLOKOSA-N 441.025 4.967 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1507698386 UTHAICYNBGEMTO-UHFFFAOYSA-N 437.975 4.602 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1507747502 HOLKIODZMIWZQI-RTBURBONSA-N 445.032 4.608 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507748344 MUYGKLRXTNXQFK-DEOSSOPVSA-N 438.597 4.699 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1507782435 FQULQSCWRGGRKE-CYBMUJFWSA-N 436.304 4.817 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1507935900 WDOGVWXYDWSBOQ-DENIHFKCSA-N 440.588 4.931 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](CCC)C1 1507939131 IOBDXCOJWDDNQX-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)Cl 1508026731 VMPMWHPHTJPNCR-UHFFFAOYSA-N 436.741 4.616 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Sc2ccccc2)C1 1508123534 CPNBTUIQARSDAJ-ICSRJNTNSA-N 440.638 4.893 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1508167949 LMAJSHOJOMGQCS-UHFFFAOYSA-N 445.702 4.719 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(COC)CC1)SC 1513257410 GUWJZNJEODNGSS-UHFFFAOYSA-N 441.645 4.991 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CCCN1C(=O)OC(C)(C)C 1520438561 KOFYKNUGRFQRGQ-HSZRJFAPSA-N 446.548 4.713 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cccc(C#N)c2C)C1 1531987352 FVPYHNMFZFQYON-LJQANCHMSA-N 426.358 4.645 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2ccc(C(=O)N(CC)CC)cc2)s1 1532549237 ZTWJFQJJDWSSPU-UHFFFAOYSA-N 439.002 4.926 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3SCc3ccco3)c2C#N)C1 1533846943 DEBZTACUDMASGI-UHFFFAOYSA-N 437.546 4.662 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)c1 1537133551 AOFCOOMVVZRJNB-HSZRJFAPSA-N 438.527 4.653 30 10 IJEE C=CCN(C(=O)CCc1ccc(F)c2c1CCCC2)[C@H](Cc1ccccc1)C(=O)OCC 1538619210 YBKRQCUBVIWOCW-RUZDIDTESA-N 437.555 4.826 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3ccccc3[S@](=O)C(F)(F)F)c2)s1 1538704927 DNRUKYCZBOINHN-LJAQVGFWSA-N 434.464 4.844 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(F)c(F)c1 1538997101 PYYPZGHLWNVEDQ-XOBRGWDASA-N 449.295 4.514 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)C1CCCCC1 1539250399 MXVYYFJTBQHGLX-QHCPKHFHSA-N 445.394 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H](SC)C(C)(C)C 1539334163 VJTZNXMIJABYFX-QFIPXVFZSA-N 438.641 4.715 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNC(=O)C(C)(C)C 1539655436 LJKSEBYDOPFCGE-UHFFFAOYSA-N 443.661 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539794216 VLRNUOBGAFVPGS-CXAGYDPISA-N 436.869 4.518 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1539819989 AXUOUPQWNDSKGI-LJQANCHMSA-N 437.371 4.658 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1540108707 LKSBOTHMZGHJTE-AVRWGWEMSA-N 443.586 4.812 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@H]1C(C)C 1540133847 OTZRYSDTQWQOIU-ZCYQVOJMSA-N 431.584 4.518 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cn3)c2)CC1 1540549843 AJHSKQUXGZNKSQ-JOCHJYFZSA-N 432.911 4.550 30 10 IJEE COCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)CCCCC1 1555298522 BFBAGECHXGCCPK-MRXNPFEDSA-N 433.959 4.930 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3)C(=O)OCC 1559338239 PHKZQAMUCCSKKQ-AWEZNQCLSA-N 434.627 4.840 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCc1nc(Cc2ccccc2)no1 1559472978 DWWAAGXQQMMXDI-UHFFFAOYSA-N 449.102 4.636 30 10 IJEE C=CCN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1559752023 QBUNQGQRMBITJK-JOCHJYFZSA-N 431.454 4.599 30 10 IJEE Cc1c(S(=O)(=O)N(Cc2ccncc2)Cc2cccs2)sc2ccc(C#N)cc12 1562013544 GCMSWOUKENXECE-UHFFFAOYSA-N 439.587 4.929 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1 1562256877 BHGMBWPNANXVKR-HXUWFJFHSA-N 430.464 4.593 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)[C@H]1CCCO1 1564603926 USQFLTJDTNQZFD-JWQCQUIFSA-N 434.580 4.903 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 1566412415 QKDFMKHKXHTZIA-NHCUHLMSSA-N 444.934 4.991 30 10 IJEE C=CC[C@H](CO)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 1567044864 SYFDJBSANORIJM-AZGFIHASSA-N 428.532 4.645 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 1567897095 CWYIWZBHJLFSGZ-LJQANCHMSA-N 447.576 4.899 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(Nc3nccs3)c2)CC1 1568492250 GYFNKZIFCLPEAO-FQEVSTJZSA-N 437.956 4.563 30 10 IJEE C=C[C@H](C)ONC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1583408034 IQWGBBIZSSPBBO-INIZCTEOSA-N 430.570 4.638 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1 1585279264 NHVMESLQSIZHNA-XUZZJYLKSA-N 434.580 4.953 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1 1586026796 BIQQZGPYPCJXOG-PMERELPUSA-N 437.418 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC[C@H](OCC)C1CCCC1 1587603370 KXDJGDJQFOQKOU-CVDCTZTESA-N 431.584 4.937 30 10 IJEE C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(-n2cccn2)c(F)c1 1588017226 GPDJWULLSBHXIC-SFHVURJKSA-N 440.478 4.953 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1c(C)noc1C 1588280119 GPECKGZTYGTOLD-CVEARBPZSA-N 437.613 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCc1cccc(C)n1 1589150772 KUYPDMLTMIAVOI-RXFWQSSRSA-N 447.558 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1csc(CC)n1 1589515777 RVJRJGBFUOUFSI-GCJKJVERSA-N 437.613 4.890 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccccc1 1593789055 GSCOEMOIOVXOFA-QFIPXVFZSA-N 434.506 4.789 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)CC1 1594091345 YVYASKDEQWPJRG-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnn(CC)c1 1594693142 RDKYWBFUBYWJGI-UHFFFAOYSA-N 429.366 4.527 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1594913965 RPMMZJGQLQJMHZ-OAQYLSRUSA-N 436.991 4.761 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@@H](F)C1 1595075905 NVFLLTVSKYAJEC-SJBKTWHCSA-N 428.552 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1Cc1c(C)noc1C 1595162100 VZQPTMWXXRTHGV-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cc(C)cs1 1595366608 ICDIZOZOQRZOAY-UHFFFAOYSA-N 433.375 4.909 30 10 IJEE CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(Br)cs1 1607396007 DZUXCSFULRFNSM-UHFFFAOYSA-N 430.375 4.933 30 10 IJEE CCCCCCCCn1c(SCc2nc(O)n[nH]2)nc2sc3c(c2c1=O)CCCC3 1613279959 RWHUEQSGAWJNFR-UHFFFAOYSA-N 447.630 4.813 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@](C)(O)c2ccsc2)cc1 1613773709 HSQYBYIASLNNRQ-DEOSSOPVSA-N 435.597 4.607 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1OC 1616199646 DAOHBVBKQKLRTJ-HNSSNFPDSA-N 449.547 4.960 30 10 IJEE C=C(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1cnn(C(C)C)c1 1617868337 OLZFAXBYRUNIHY-UHFFFAOYSA-N 448.615 4.964 30 10 IJEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCCC2(F)F)cc1 1619188341 BOLBDJWJQSUJEI-LJQANCHMSA-N 429.515 4.909 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)c1ccccc1 1623527496 AGBBLBMRQCWMGG-IEBWSBKVSA-N 427.342 4.626 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1 1624202046 SPQZSGPMZCXMPG-UHFFFAOYSA-N 446.320 4.600 30 10 IJEE C=CCCC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 1625197034 MSJLNGVTODWTSJ-LEWJYISDSA-N 439.943 4.759 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 1626172377 QEMJDGVPZIEMGV-UHFFFAOYSA-N 431.286 4.765 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccccc3)c3cccc(F)c3)ccc2c1=O 1629864364 HQONEWQXDBGNLN-QFIPXVFZSA-N 445.519 4.530 30 10 IJEE Cc1cc(NC(=O)c2cc3cc(NC(=O)OC(C)(C)C)ccc3s2)n(CCC#N)n1 1630806159 DJWAFKPXAYFDSU-UHFFFAOYSA-N 425.514 4.919 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)C1 1631298571 LXMJCHXYQMKXAH-KBMIEXCESA-N 444.575 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 1635542530 AWDRNAJHGXCJRW-OAQYLSRUSA-N 443.613 4.534 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c(Cl)c2)nnc1-c1ccccc1OC 1640638293 PONNQLVAUJUSEL-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE C=CCN(CCc1ccco1)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 1642452368 SSSQKHFEWNZAHS-SANMLTNESA-N 443.547 4.697 30 10 IJEE C=CCn1c(SCc2noc(-c3c(F)cccc3Cl)n2)nnc1-c1cccnc1 1643578036 UXJSHLCDVPYQGP-UHFFFAOYSA-N 428.880 4.661 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@@H](C)C(=O)Nc1cccc(C#N)c1 1645023499 FWOVUKFZUGWBKN-HTAPYJJXSA-N 444.501 4.895 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O 1648751369 DKARONFETZBXFN-MRXNPFEDSA-N 447.709 4.827 30 10 IJEE C=CCn1cc2ccc(NCc3cc(OC)c(OCC(F)(F)F)cc3[N+](=O)[O-])cc2n1 1651609617 DEWMBCDFJTXMGO-UHFFFAOYSA-N 436.390 4.692 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1 1654668813 QZJQNMGOYXHWBD-OAHLLOKOSA-N 433.154 4.799 30 10 IJEE C=C(C)CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1)Cc1ccccc1 1658520319 GIRQLCRVRAOMCL-UHFFFAOYSA-N 443.547 4.964 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)c1 1662306696 QBFDASJRVBVRRB-UHFFFAOYSA-N 440.609 4.648 30 10 IJEE C#CCOc1cccc(NC(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 1667078485 UQHMYIIYFFQBCY-UHFFFAOYSA-N 437.540 4.648 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)cc(OC)c1OC 1667711090 HMCSQEBVQJNYDW-UHFFFAOYSA-N 448.567 4.741 30 10 IJEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1668454370 FKDSQSNAGGTGMM-AWEZNQCLSA-N 437.721 4.791 30 10 IJEE C#CCN(C(=O)NCCOc1ccc(Br)cc1C(F)(F)F)C1CCCCC1 1671261423 ZODHMXRIJNTUOT-UHFFFAOYSA-N 447.295 4.824 30 10 IJEE C#Cc1cccc(CNC(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1673636651 KEKFOCLJYVJXKU-OAQYLSRUSA-N 440.469 4.616 30 10 IJEE C#CCOc1ccc(NC(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 1674518898 MOFQHHGVTNQMOF-NRFANRHFSA-N 449.551 4.967 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)[C@H]1CCCc2ccccc21 1676046909 DZDJOQGZAQACTE-UIOOFZCWSA-N 433.596 4.801 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1681941909 FNHWBELQESLFFM-RJGXRXQPSA-N 441.616 4.852 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCc2cc(O)ccc2C1 1686303422 FUJHGTXPGGSANL-SFHVURJKSA-N 433.321 4.549 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1689904328 RVHHBZCVMCBDGM-DEOSSOPVSA-N 436.600 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1690236198 JNIPWJHWXSXSRH-SCDRESIJSA-N 437.632 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H]1CSC 1690250930 NFBXYQSEIJDSNT-FIXSFTCYSA-N 440.657 4.766 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690296650 DADHOYIEFHPADS-UHFFFAOYSA-N 443.617 4.512 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(O)C(C)C)CC1 1690402557 HHNFGAAFTZLUAM-IBGZPJMESA-N 439.423 4.579 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1690428631 WZBIEYSJQPSGDZ-UHFFFAOYSA-N 440.636 4.845 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21)c1ccccc1 1690441724 FQZJVKMZZSNYDX-MLDBQTBOSA-N 435.616 4.791 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N(C)Cc1nc(O)c2sccc2n1)c1ccccc1 1690445363 WJKGVYFWTDOILB-QGZVFWFLSA-N 434.569 4.547 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690477817 IEPSOGCINBAELV-UHFFFAOYSA-N 447.583 4.828 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CCc1n[nH]c(C)n1 1690575934 GZHROBJRDDIYEU-UHFFFAOYSA-N 439.976 4.522 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC=CCO1 1690609272 JGRATSLEIAFZHX-JOCHJYFZSA-N 438.959 4.696 30 10 IJEE CCSc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1696534152 AXVYJAXJFCHPEI-OFNKIYASSA-N 425.602 4.810 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1705510194 UXSKXFVPXRKILC-QHCPKHFHSA-N 431.584 4.608 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)Cc1cccs1 1705601847 XYKVDTZDITZOIZ-OAQYLSRUSA-N 446.620 4.877 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H](C)CC1 1705653326 FFTPZECSADIEAW-PMACEKPBSA-N 442.629 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(C)CCCS1 1705668729 SEGNQWXAQRUTLZ-NLSFWIRASA-N 428.577 4.835 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2Br)CC1 1705770419 FFKYMILHRQEIMO-UHFFFAOYSA-N 444.402 4.601 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705812693 JEUBUKWMHLCALQ-CALCHBBNSA-N 431.378 4.775 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)c1ccccc1 1705841619 ALFIRWFYAIGLII-TZIWHRDSSA-N 439.604 4.819 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H]1OC)C1CC1 1705851084 UFJVTGGJHHDVKM-DNVCBOLYSA-N 431.378 4.678 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)C 1705883456 IYPUQXBXNSBDNA-XXBNENTESA-N 437.588 4.516 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1705887558 NKRPTVFLWFVBIY-GFCCVEGCSA-N 425.758 4.551 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](C[C@H]3CCOC3)C2)nnc1C(C)(C)C 1705913967 CMJBFNXUICZPIJ-LEWJYISDSA-N 438.616 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@](C)(CC)O1 1722283192 DNJFKLCHKSXTAL-CECAUBDESA-N 445.405 4.822 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1722324133 LHVHVUIYJFOHHO-YUXAGFNASA-N 440.563 4.755 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCCN1CCCCC1 1722421743 LDVBGIBBKPXAPW-UHFFFAOYSA-N 437.607 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H](OC)C(C)(C)C 1722469009 RVEWFQOSYPXZJN-PGRDOPGGSA-N 445.405 4.761 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)CCOCC 1722481125 XCTQFXSBYAQYKV-UHFFFAOYSA-N 431.737 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1722497227 SVRBHFCYIRDNAI-PXNSSMCTSA-N 432.490 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1722509443 PFUIIAICAOZEIK-OPYAIIAOSA-N 431.650 4.983 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1C 1722522188 CNJRUWNJLHHVHS-OAQYLSRUSA-N 439.604 4.914 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1722562727 JPRRWJWPJFVFRF-VXKWHMMOSA-N 437.632 4.868 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722611340 JVWJEKQZGLFSAH-HSZRJFAPSA-N 432.616 4.731 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1722645210 DUMGBHPYAAMUQB-HOTGVXAUSA-N 431.378 4.678 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)CCC(C)C)C1 1722716994 BHGQMVOPIBZYPO-NZQKXSOJSA-N 432.996 4.567 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722733754 KTKLBYJZSGUERZ-BHDDXSALSA-N 440.657 4.881 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@@H]1C 1740661770 JJUVBKQABJLBDS-PMACEKPBSA-N 444.023 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1740769649 PQFDMMQAEIOHFM-WOJBJXKFSA-N 440.592 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCN1CC 1740770945 MHVODZVMYKWMCO-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2OCCC2(C)C)CC1 1740835786 CUBAWNSIXLVKCS-FQEVSTJZSA-N 430.980 4.825 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1740837522 NLPCXYJUNOYDOJ-UHFFFAOYSA-N 445.489 4.973 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1Cc1cnn(CC(C)C)c1C 1740918651 ODDHUXZHUWZJSO-UHFFFAOYSA-N 443.599 4.685 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CC1(OC)CCCC1 1740924355 NYUPXNOWJGTDFY-UHFFFAOYSA-N 443.642 4.847 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CCc1ccc(Br)cc1 1740941714 QPVVJLQKLFEAMH-UHFFFAOYSA-N 435.410 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1ncc(C)s1 1748639560 JHWJJUKECRYXNH-YQQAZPJKSA-N 427.549 4.584 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1csc(-c2ccco2)n1 1748680422 RZLFNPZZTBXSGP-GOSISDBHSA-N 431.565 4.676 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1748737150 YAMITHFXAGTXSZ-REWPJTCUSA-N 431.584 4.770 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1Cc1nc(C(C)C)cs1 1748902897 WBPUVELZMNGBIS-UHFFFAOYSA-N 449.649 4.970 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H]1CCCN(CC(C)C)C1 1748940159 FBJVKFOCABITDS-JOCHJYFZSA-N 425.596 4.548 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)c1ccco1 1749026646 GCQZHZKIQLHAQU-HNNXBMFYSA-N 430.961 4.764 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1749044603 SCUIHDLXDIEMCB-UHFFFAOYSA-N 437.657 4.767 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 1749139869 JPUXLAKHAGRILL-WWNPGLIZSA-N 440.588 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)[C@H](C)Cc2ccccc2OC)nnc1C(C)(C)C 1749140784 SKRJBGGYDUCVCC-CBQOVEMMSA-N 426.605 4.633 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1749316291 DXTMXWXRCRFREV-SSGKUCQKSA-N 443.680 4.721 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC(C(C)C)CC1 1749689287 GUGXOAHKPAVGOO-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(F)(F)F)c2)C1 1749717919 QYPHKADABNKFEN-FQEVSTJZSA-N 434.506 4.859 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCOC1 1760141857 JRRHZBYNGCDVPC-NRFANRHFSA-N 438.616 4.821 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760149627 PCFACQYSLBRVGC-OAQYLSRUSA-N 433.531 4.503 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCCO1 1760225594 UGCXHRQMJQACPE-AZUAARDMSA-N 430.980 4.717 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2ncc(CC)s2)CC1 1760385976 GHRXHZSVIMMUOQ-UHFFFAOYSA-N 444.402 4.931 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1760411810 DBFMIIZHEDVSHF-WOJBJXKFSA-N 440.588 4.743 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760450050 CBYSFVHXESRQSJ-HSZRJFAPSA-N 439.604 4.502 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(NC(C)=O)cc1 1760486072 CAGZXXPTQHFAKV-UHFFFAOYSA-N 444.564 4.601 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1scnc1C 1760491358 DEXQQSSVPWUHOB-UHFFFAOYSA-N 429.977 4.793 30 10 IJEE CN(CCC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Cl)s1 1768866979 GMGADJYSOLNBBX-UHFFFAOYSA-N 441.988 4.833 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=Nc1ccncc1Cl 1772737614 PKMMLMLUNLAKPB-DGIAZZNKSA-N 429.929 4.932 30 10 IJEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)Nc2cc(Cl)ccc2Cl)CC1 1860591999 LZNMIWWUHNXWOK-FQEVSTJZSA-N 435.351 4.681 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(C)cc2Br)cc1OCC 1860728728 JZTGQZSGOJRBEQ-JXMROGBWSA-N 432.314 4.776 30 10 IJEE COc1ccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1 1860801770 DDZQCHFWXZRUSM-UHFFFAOYSA-N 427.576 4.971 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1ccc(Cl)cc1 1861104607 ZZFLHVNZHPZIGG-IDPYQAHBSA-N 435.008 4.572 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1O 1862382571 JKMUYTKDXGYJGV-SFHVURJKSA-N 436.291 4.694 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCCOC(C)C 1862411591 LGIRJRAIKVRMPI-OAQYLSRUSA-N 429.463 4.667 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(O)c2)c1 1862490586 ZDJCJBZQKIBKKN-DEOSSOPVSA-N 445.490 4.969 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Br)c1 1862600603 WWNBVVMMWQUYQR-KZULUSFZSA-N 430.298 4.532 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)OCCO2 1862719788 OVLLVDDOSYTVRJ-UPCLLVRISA-N 443.499 4.988 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1 1862965838 JHKSULIRWIBNOM-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862977248 CZKOGQRMGVIGKF-UHFFFAOYSA-N 448.482 4.615 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2ccc(OCC)cc2)C1=O 1863214781 OJMWZSOCQPWPJM-UHFFFAOYSA-N 441.325 4.534 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccccc2OCCC)c(C(=O)OCC)c1C 1865742044 KJHJAHUEAMWJOV-UHFFFAOYSA-N 431.510 4.617 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccccc1C#N 1866650155 HGLWKVIDCWFNIJ-QFIPXVFZSA-N 444.535 4.686 30 10 IJEE CCCCCCCCCCNC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1 1868195636 XKWDVSBDVQWZLN-SFHVURJKSA-N 436.398 4.741 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)C2=Cc3ccccc3OC2)cc1 1870162348 QJMBUTIFOLMMKA-UHFFFAOYSA-N 433.471 4.529 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC(C)C)cn1CCCCCC 1870581287 YVISWAZGCQSSDP-UHFFFAOYSA-N 432.605 4.571 30 10 IJEE COc1cc(/C=C2\Oc3c(ccc(OC(=O)CC(C)C)c3C)C2=O)cc(OC)c1OC 1871386063 BFQVETVHPBHBPL-ZDLGFXPLSA-N 426.465 4.589 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c(OC)c1 1871392039 MOEJYYTWBNWXBO-UUYOSTAYSA-N 436.485 4.920 30 10 IJEE COc1cc(/C=C2\Oc3c(ccc(OCC(=O)C(C)(C)C)c3C)C2=O)cc(OC)c1OC 1871419958 QPJWOUXOJUQOLP-ZDLGFXPLSA-N 440.492 4.631 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cc(OC)ccc1OC)C2=O 1871434139 RJWDDVIXNRBKBF-MAGMUUGSSA-N 440.492 4.739 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)Nc1c(F)cccc1F 1871440567 WKHPQEVZIJLNCZ-JMIUGGIZSA-N 425.362 4.738 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871460396 KSCRPZIKYGVIJQ-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871460632 WYAFSNMKOHHGJR-BKUYFWCQSA-N 430.416 4.537 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590813 MXIWVJSLTSPHRW-UHFFFAOYSA-N 442.611 4.689 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871996381 YOEZBTCXJORIFT-QHCPKHFHSA-N 428.598 4.904 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1)S(=O)(=O)CC 1872151308 ZXBCQTVHGLPMFJ-DEOSSOPVSA-N 449.576 4.948 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 1872247450 HXRKBTJOLSMXQU-JOCHJYFZSA-N 446.638 4.631 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CC 1872280010 SFVXARSEJVYFIS-DEOSSOPVSA-N 442.625 4.858 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1C 1872605465 VZRVBEWHAGUSJE-QHCPKHFHSA-N 444.641 4.670 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1 1872769693 XVEMILPHVCREJG-FPOVZHCZSA-N 429.545 4.652 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872782656 MJNGZQSMZCBEIT-INIZCTEOSA-N 442.924 4.908 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873111044 OYNIGLBSUOFBDL-NRFANRHFSA-N 448.554 4.954 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccccc2Br)C1=O 1873253575 IFHBADJJWWTVGB-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)cc1OCc1ccccc1Cl 1873505038 XZRAARZYSVKHFB-KCDOPAPYSA-N 444.944 4.542 30 10 IJEE C=CCn1c(C(=O)Nc2cc(NC(C)=O)ccc2C)cc2c(N(CC)CCCC)ncnc21 1873654611 MTGSJCWNXNSHNG-UHFFFAOYSA-N 448.571 4.763 30 10 IJEE Cc1c(CCC(=O)Nc2cccc(OCC(C)C)c2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873956402 PLEQCFNURMNDOD-UHFFFAOYSA-N 442.519 4.567 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(F)cc1 1874241094 OTTWCZHWLYXDLH-ZMOGYAJESA-N 426.517 4.945 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccn1 1874313696 JCTHPLSWYMVXQL-ZXVVBBHZSA-N 443.576 4.684 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1C 1874332729 VNQCDRMXVJUSNV-YZSQISJMSA-N 436.625 4.944 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Cl)cc1 1874377247 MPLLVMQOIFKXMA-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE Oc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874383499 CVCNAYFVKQJGQP-AFUMVMLFSA-N 434.496 4.876 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1ccc(C(F)(F)F)cc1 1874398526 AGTHPNRFABPAMJ-CAUYNWHBSA-N 434.487 4.805 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(F)cc2F)o1 1874438180 NZPVUSGKRZGNEB-BHGWPJFGSA-N 448.495 4.699 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1sccc1C 1874456395 PKFFSBPGKWIZEN-HYARGMPZSA-N 433.647 4.929 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2sccc2C)o1 1874495463 MKFMKQMADBYQEW-SRZZPIQSSA-N 430.555 4.860 30 10 IJEE COCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccc(Br)c1 1874499332 OVVQCCRUOHIJBA-SRZZPIQSSA-N 431.359 4.670 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1O 1874540603 SYQLNTARPJNQLG-WSDLNYQXSA-N 437.352 4.906 30 10 IJEE COc1ccc(CCc2nnc(S)n2/N=C/c2ccc(Cl)cc2Cl)cc1OC 1874568676 LJGOMEAUAYPSGP-SSDVNMTOSA-N 437.352 4.558 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 1874723739 MZSOPIMBZBXZKI-SFHVURJKSA-N 426.944 4.993 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1892137925 LQNBEVCIHZRDLN-LEWJYISDSA-N 427.957 4.552 30 10 IJEE C=C([C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[Si](C)(C)C 1923027269 OMYKWHPVAYQFAP-JOCHJYFZSA-N 445.724 4.958 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]1C 1947964385 WBHRNZLYBGWPSR-QMHKHESXSA-N 431.533 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CN(Cc2ccccc2)C2(CCC2)C1 2037922291 HJFNVXPKZQIREA-XTEPFMGCSA-N 434.624 4.687 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2070326066 FZYNASLEZAWGSK-HZLPDVBGSA-N 441.616 4.843 30 10 IJEE O=C(NC1CC1)c1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Cl 2079242954 IZVZKTMBPLUZSD-UHFFFAOYSA-N 429.723 4.654 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079857460 AQGGQZMZIUGNHE-SFHVURJKSA-N 435.309 4.799 30 10 IJEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2Br)cc1 2080080700 YECCHMKYUKCKFQ-SFHVURJKSA-N 428.330 4.884 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(NC1CC1)C1CCCC1)Cc1ccccc1 2086670169 YKDUDLXHQJBNOL-MUUNZHRXSA-N 430.640 4.825 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)C1CC(OCc2ccccc2)C1 2139011396 OOCXWTHXAPOMQO-UHFFFAOYSA-N 435.373 4.537 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)c(Br)c2)Cc2ccccc21 2174768113 RVHPSOJNEYUELL-IBGZPJMESA-N 428.330 4.907 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ccccc2c1Br 2180913272 YBCHZLWFINRYGR-QGZVFWFLSA-N 431.330 4.848 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1 2181153715 GNSOYACFIYQRSK-UONOGXRCSA-N 436.350 4.590 30 10 IJEE Cc1c(Br)csc1C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2226123739 RQJQIOMVIPZYCW-SGTLLEGYSA-N 426.185 4.517 30 10 IJEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1ncc(C(F)(F)F)cc1Br 2232220730 WLIBBYYFZOCUPN-LLVKDONJSA-N 439.272 4.959 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC 2235750585 WXBLKQVLRQWAND-RLLQIKCJSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#CC1CCCC1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2260980896 UNCTXKRKHALICW-XMMPIXPASA-N 439.644 4.718 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)cc(Br)c1F 2272721858 MTCIIPMVAXEKOP-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@H](N)C#Cc1cccc(Br)c1)C1CCCC1 2296271252 DUNRJQHDTNSUCM-UYAOXDASSA-N 435.406 4.849 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 2296291529 POJMJGPPBCJVGX-GUDVDZBRSA-N 439.369 4.516 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CC[C@@H](C)C1 2296298746 NHITXYRHDMFMRG-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 2296299025 QFOYYQKNTYWSNP-UZLBHIALSA-N 435.406 4.957 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296305741 YBEPAHDMEZLGJQ-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE C[C@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317311684 UAOOKLDKHZTTPK-WMZOPIPTSA-N 429.370 4.536 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2320933496 CQDTZFILMNZIRN-UHFFFAOYSA-N 434.352 4.760 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(C)c(C)c2)cc1OCC 2322056832 WXAKJZHSOUIOPU-UHFFFAOYSA-N 440.569 4.832 30 10 IJEE CCOc1cc(C=NNc2nnc(-c3ccccc3)c(O)n2)cc(Cl)c1OC(C)C 2323284088 ZZGPCOOZQCMQBW-UHFFFAOYSA-N 427.892 4.530 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)cc1 2324537399 LTMMHQSHLJNRHX-UHFFFAOYSA-N 430.456 4.856 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc5c(c4)OCO5)ccc3C2=O)cc1 2325182324 HGWYDWMSYAQCLS-UHFFFAOYSA-N 443.455 4.611 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccccc2OC(F)F)C3=O)o1 2325377991 YVRUKZDWHOYIDZ-UHFFFAOYSA-N 442.370 4.863 30 10 IJEE CCOc1ccc(C=Nn2c(CCCOc3cccc(C)c3)nnc2SC)cc1OC 2326954871 OYEMUXDERBCGQC-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2327351957 UEECWTHHWKWCPT-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cccc(Br)c1 2328371922 NCYXXORSSSZZNN-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccn2C)cc1 2329258408 CLQVRCIUWWSNKC-UHFFFAOYSA-N 435.528 4.530 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(F)c1 2329608518 DAGFJGWLOPKGDD-UHFFFAOYSA-N 446.935 4.911 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329761640 OLLLPAABHFKHHW-UHFFFAOYSA-N 433.896 4.954 30 10 IJEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1cnccn1 2330658850 LNAGTOSTKAQYHX-UHFFFAOYSA-N 440.455 4.762 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccn1 2330665157 SWBGLTNGLGTDHJ-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(F)cc1F 2331443681 HDKYKFMURQNCIU-UHFFFAOYSA-N 431.468 4.838 30 10 IJEE COCc1nnc(SC)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2331548589 IKYBFFGPNXWLAI-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE CC[C@@H](NCCC[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511102 CRZLXFLHWIFZKX-WIYYLYMNSA-N 446.441 4.720 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CCOC[C@@H]3OCc3ccccc3)nc2)OC1(C)C 2339545371 VLJMVLGSQLNUNM-YADHBBJMSA-N 436.361 4.512 30 10 IJEE C[C@@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339577427 SHBZPGZWHBFQEV-FEFOKTNTSA-N 444.381 4.751 30 10 IJEE Cc1cc(CN[C@@H](CN(C)Cc2ccccc2)C(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343648188 NBTIZRPBEPUCDX-VWLOTQADSA-N 436.449 4.540 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)C#Cc2cnn(C3CC3)c2)c1 2366186151 ARSPEFOCZDOIML-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H](N)C#Cc2ccc(Br)cc2)C1(C)C 2370133086 MHGKOZRGKPCSGJ-YTQUADARSA-N 435.406 4.848 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)c1 33423003 JJIMAMJKJWATLA-HSZRJFAPSA-N 446.503 4.523 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 63401462 JQTURQGGIJXJBD-HXUWFJFHSA-N 436.556 4.725 30 10 IJEE COc1cc(/C=C/C(=O)NCc2cccc(COc3ccccc3)c2)ccc1OCC#N 71989904 WCVGNDOJCTVGGT-ACCUITESSA-N 428.488 4.506 30 10 IJEE CC(C)(C)CC(C)(C)/N=C1\Nc2ccccc2CN[C@H]1c1ccccc1S(=O)(=O)O 85393219 APHMOGYPQLWMDF-FQEVSTJZSA-N 429.586 4.803 30 10 IJEE CCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 102607428 GDWJARULZAIOIO-HQMFNGAOSA-N 428.326 4.979 30 10 IJEE Cc1ccc(/N=C2/C(=O)N(CN3CCN(c4ccccc4)CC3)c3ccccc32)cc1Cl 102864980 DUNHWXWHKYFRGO-AZPGRJICSA-N 444.966 4.896 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2OC)c1 169940151 YSBSMYNHKJJSCD-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)cc1 169985180 ZQGAKSDBUSSUCP-JOCHJYFZSA-N 447.512 4.865 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccs2)cc1 169989823 LLIHTUCUOWETJX-HXUWFJFHSA-N 429.501 4.970 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(O)c2)cc1C 170080659 KXJZEVHUSXLSSY-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1C 170083212 WYPVBLCYKASDQR-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2Cc2ccco2)c1 170118894 PNNFDELOTNLDFF-QFIPXVFZSA-N 447.487 4.692 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c1 170163091 QRWQJLLRFWQZMG-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)cc1C 170205642 VTZFXGMOZZIVOQ-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170238377 QOXGWNOCPJXNMN-QFIPXVFZSA-N 433.410 4.683 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1F 170249781 XWXZNUBLRROWGO-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273674 KMCXSCGBXYDBHH-URXFXBBRSA-N 449.547 4.787 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccccc1C 170275652 NVUDDKXUMFHXAP-QHCPKHFHSA-N 437.536 4.645 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1 170286704 FUBCPKDPNLZCDN-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1 170423216 STQRHYQOYGITDT-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1ccc(/C=C2\S/C(=N\N=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1OC 210512080 PEPIZIWAXIWOSU-DOSRWIIRSA-N 447.516 4.803 30 10 IJEE N#Cc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc2ccc([N+](=O)[O-])cc12 301391647 BBOFKQIFJXFOAQ-LJQANCHMSA-N 429.263 4.899 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 467732639 RJZQRYOEHZTUMM-LBPRGKRZSA-N 429.895 4.838 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 474175543 KQMKGJXPDSPYCS-AEFFLSMTSA-N 439.396 4.853 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)[C@H](C)C4)[C@H]3C[C@@H]12 504285253 NXYQZNKEFFIDPK-WTZWTYFESA-N 438.612 4.520 30 10 IJEE biogenic COc1cccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1OC 526523658 ZBQBNORMZOOKNL-QHCPKHFHSA-N 426.472 4.941 30 10 IJEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(F)cc2)cc1Br 526801338 LBAKEDANZIEIDJ-YVNNLAQVSA-N 435.322 4.753 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1Cl 537103658 JVVGCVKMNCLLJQ-NRFANRHFSA-N 449.917 4.884 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 549656222 AVNNEEOVPFPUSQ-MRXNPFEDSA-N 428.524 4.639 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccnc(Cl)c3)C2)c1 586045873 AWYADDKVURLFCQ-HXUWFJFHSA-N 440.975 4.607 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccncc3)CC2)cc1 586506048 LVGGCDUKNJGVHN-UHFFFAOYSA-N 444.597 4.651 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 610304193 NVGRDMLPNAFEGJ-VWLOTQADSA-N 436.515 4.585 30 10 IJEE Cc1cccc2c(N3CCC[C@H](c4n[nH]cc4NC(=O)C4CCCC4)C3)c(C#N)cnc12 619488821 GHQYJKBZUUYRQD-SFHVURJKSA-N 428.540 4.651 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1cccnc1 623014737 DRHCSGMPUCLTKG-HNNXBMFYSA-N 447.520 4.594 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669817356 WASUHQLNQMFEHX-FCHUYYIVSA-N 434.588 4.876 30 10 IJEE C=C(COCCC)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705457987 RJKYVVVZLMMFTA-MDNUFGMLSA-N 434.621 4.836 30 10 IJEE C=CCC1([C@@H](Cc2cncc(Br)c2)NCCC)CN(C(=O)OC(C)(C)C)C1 722920391 LBERBCJTKGWWIG-GOSISDBHSA-N 438.410 4.568 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCc3sccc3[C@@H]2C)c1=S 732526556 DCMRYTADZBPRBV-HNAYVOBHSA-N 440.594 4.751 30 10 IJEE C/C(=C\C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1C(F)(F)F 742040952 FFCVOSHIXHCNBG-OBGWFSINSA-N 427.470 4.715 30 10 IJEE COc1ccc(-c2ccncc2)cc1[C@@H]1NC(=S)NC(c2ccc(C)cc2)=C1C(C)=O 775238209 GLDRFZRXGVXUIO-DEOSSOPVSA-N 429.545 4.585 30 10 IJEE CCOc1ccc(-n2c(Cc3ccccc3)nn(CN3CCC(C)(C#N)CC3)c2=S)cc1 779879948 USPHDVPKPYRNFY-UHFFFAOYSA-N 447.608 4.976 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3)n2)cc1 1083920989 KIINTFVIFXMTMQ-UHFFFAOYSA-N 442.976 4.932 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1ccccc1 1084128799 IYBYPJMAWHWSAU-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1125668074 AJZGLMIQJCBKOI-CYFREDJKSA-N 430.545 4.784 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccccc2)nc1)[C@H](Cc1ccccc1)C(=O)OCC 1128003587 SRYNGXHWCVMQTN-HSZRJFAPSA-N 430.504 4.677 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H](c3ccc(F)c(Cl)c3)C(F)(F)F)C2)c(F)c1 1128385493 BAJCRXMTOPEANY-SCLBCKFNSA-N 443.803 4.736 30 10 IJEE C=CCC1(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)CCCC1 1131040568 JNURVBWHIPVFAI-QGZVFWFLSA-N 433.390 4.615 30 10 IJEE C=CCc1cc(C(=O)NCC2(c3ccc(Br)cc3)CC2)cc(OC)c1OC 1133457288 QSYQPLSUUXTRIY-UHFFFAOYSA-N 430.342 4.656 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 1148035184 UTBXKVVKJVKYCF-OAHLLOKOSA-N 425.316 4.705 30 10 IJEE C=CCc1cc(C(=O)NCCc2c(C(F)(F)F)[nH]c3ccccc23)cc(OC)c1OC 1151216854 AAHUUEBHAYERHU-UHFFFAOYSA-N 432.442 4.905 30 10 IJEE N#CC[C@H](C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccccc1 1152393796 ADEXOWSNIJYSIP-MHZLTWQESA-N 438.575 4.687 30 10 IJEE C=CCNc1ncc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)s1 1152598035 NLCNVFFAFUINAL-WMZOPIPTSA-N 429.586 4.979 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 1161336056 KMQBQBJMMOVBLO-MRXNPFEDSA-N 449.732 4.659 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(Cl)c1 1165889310 MWEKLMFKHWHRBH-DRMAHVMPSA-N 431.005 4.818 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@H]3[C@@H](C#N)c3ccccc3)CC2)cc1 1167463823 BPTBCBXKYGVTDO-SVBPBHIXSA-N 429.608 4.938 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1183303465 JFHVHNRZEIBPSU-MRXNPFEDSA-N 436.961 4.624 30 10 IJEE C=CCn1c(SCc2ncccc2Br)nc2sc3c(c2c1=O)CCCC3 1188252733 PRRDVTKNFWAQIV-UHFFFAOYSA-N 448.411 4.973 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC2(N(C)Cc3ccccc3)CCCCC2)cc1 1213616877 WREWOFLREIEVNH-UHFFFAOYSA-N 426.626 4.918 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCC(=O)OC)c2ccccc12)c1ccc(Cl)cc1F 1215913341 CWUWOZSRTMFHFJ-IBGZPJMESA-N 440.858 4.680 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCOc1cccc(OC)c1 1219084552 QKLGDFYFOSTSHP-UHFFFAOYSA-N 435.318 4.613 30 10 IJEE C=CCn1cc(CNC(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(C)c2)nn1 1225521768 PPYBKVKZMNWNMN-UHFFFAOYSA-N 446.338 4.871 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1255085462 GTILYZYHJKCEPD-HYBUGGRVSA-N 431.552 4.703 30 10 IJEE CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1265482076 GCOAYKGOJJPZGM-LJQANCHMSA-N 437.565 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(OCC)CCCC1 1286279495 VPBIHCOHRREIAX-MSOLQXFVSA-N 430.980 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC=C(C)C1 1286562467 ABPNLOFCKOBKGD-GCJKJVERSA-N 428.964 4.648 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1286603634 VQRPZRZEDJRCNG-DHIUTWEWSA-N 438.616 4.743 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2ccccn2)CC1 1286654473 JYSHNFBPIPLQHZ-UHFFFAOYSA-N 447.583 4.783 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1286679872 UOSYCWWWXMSUEZ-GOSISDBHSA-N 442.489 4.737 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286695361 VJWLJIDBNQINMF-FXAWDEMLSA-N 438.551 4.771 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CCc1ccccn1 1286750016 LTHZPRILBUXUFO-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(N2CCCCC2)c1 1286758965 XMFDCVFTHKFYHE-UHFFFAOYSA-N 446.574 4.620 30 10 IJEE C[C@H]1CCCN(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)C1 1291127530 HYUHBJDQEXCHCB-INIZCTEOSA-N 447.414 4.724 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCC(=C)C)ccc1Cl 1296712055 WMJSLYNFDHSQQF-UHFFFAOYSA-N 439.364 4.681 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 1300275605 XAZKAMCKNWLNJV-HUUCEWRRSA-N 441.988 4.912 30 10 IJEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccccc1C 1300371679 HJXVGZORCXMMMS-LJQANCHMSA-N 435.597 4.579 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](c1cccnc1)C(C)C 1300441454 OUDWBAJELYMSRS-INIZCTEOSA-N 444.402 4.673 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)=C(C)C1 1300741338 UJDFMKYPKQAVMR-UHFFFAOYSA-N 431.403 4.621 30 10 IJEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1300755008 JEHRPDDPMJUSPD-UHFFFAOYSA-N 449.624 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCO[C@H]1C(C)C 1300919146 WVGMJDZEKYCJIT-QPPBQGQZSA-N 426.605 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1300924939 KQWNODSAIWSQGF-IBGZPJMESA-N 427.499 4.567 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1301165742 JKQCRGKCNUPMBF-HXUWFJFHSA-N 448.596 4.927 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1301166137 QERNXXGKPIZOCO-JOCHJYFZSA-N 428.540 4.557 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301212018 RERDIMZWTOJUHQ-GOSISDBHSA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1oc(CCC)nc1C 1301274019 ZTQYYXLZWJKBDE-MRXNPFEDSA-N 429.952 4.991 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1301305709 MDZUPEYLZBOIQP-NHCUHLMSSA-N 434.632 4.660 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1301323199 HICDWZYSJYCMKE-UHFFFAOYSA-N 431.874 4.798 30 10 IJEE CC1CCN([C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC(CC#N)CC2)CC1 1305064444 DBUKVDGECWGTJO-HSZRJFAPSA-N 448.659 4.704 30 10 IJEE Cc1ccccc1C1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCCCC1 1311819713 DSYWHAJKXQHKIS-DEOSSOPVSA-N 430.596 4.617 30 10 IJEE C#CCN(C(=O)N[C@H](CC)Cc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1311844558 GKNIRDQUKQVWHC-TZIWHRDSSA-N 441.369 4.939 30 10 IJEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCOC1CCCCCC1 1314774065 HLCDRSKZHSLVJC-UHFFFAOYSA-N 436.585 4.649 30 10 IJEE CC(=O)N[C@H](C(=O)Nc1cccc(C#Cc2ccccc2)c1)c1cccc(Br)c1 1353353808 JPIQQXNAKQOGAV-QHCPKHFHSA-N 447.332 4.665 30 10 IJEE C#CCN1CCC(C(=O)N(CC)Cc2cc(C)c(OCc3ccc(C)cc3)c(C)c2)CC1 1353491119 OGSMCMHPGSKPKH-UHFFFAOYSA-N 432.608 4.885 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Sc3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1357212172 IDPZNRYATLAFIY-DEOSSOPVSA-N 437.565 4.964 30 10 IJEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1358917696 YQZGYWLAIYMBRJ-AREMUKBSSA-N 434.584 4.996 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1c(C)coc1C 1359066252 TXHMRZRNSMHFPI-HSZRJFAPSA-N 426.467 4.797 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@@H](C)C1CCC1 1359079957 AUSIDKCFCPJWKZ-AWEZNQCLSA-N 433.350 4.597 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)CCc1ccccc1F 1359086344 TWROOAKGZUMMNB-UHFFFAOYSA-N 435.366 4.657 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1359195191 IQZCNEWYXMNBCM-FPOVZHCZSA-N 449.565 4.909 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1359203560 QXNJXHHCCPEZQT-QRVBRYPASA-N 435.588 4.543 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1359206080 TYPAQJRXMJHZJK-CTNGQTDRSA-N 440.617 4.524 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1359337936 GPISSVMCUPMSKL-SFHVURJKSA-N 442.629 4.898 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1359345061 RHFQGCPPPHUAKW-QHCPKHFHSA-N 445.721 4.878 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359345604 KTRVMVNFCDRRPS-RTWAWAEBSA-N 442.629 4.541 30 10 IJEE C=CC[C@]1(C(=O)N2Cc3ccccc3N(C)C[C@@H]2CC)CCCN1C(=O)OC(C)(C)C 1435463389 CRAYBHIYZIPNHU-NBGIEHNGSA-N 427.589 4.589 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(C#N)ccc1F)c1ccc2ccccc2c1 1435791917 FVWPHLXZPZZTEA-QFIPXVFZSA-N 433.483 4.846 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2NCCc2ccc(Cl)cc2)c1 1441765348 JTQKMJLDBISNTQ-UHFFFAOYSA-N 445.950 4.687 30 10 IJEE C#C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1449320345 RELJRUKALODHGJ-LEWJYISDSA-N 442.918 4.632 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)c2c1 1459145960 BSUSPDBIKJNWPN-HSZRJFAPSA-N 447.491 4.600 30 10 IJEE C#CCN(CC(=O)Nc1cc(Cl)ccc1Oc1ccc(OCC)cc1)C1CSC1 1460410185 NTQFWHFFRTXZRH-UHFFFAOYSA-N 430.957 4.520 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)cc1 1460578798 DCGREEKUAJZPMP-SFHVURJKSA-N 430.479 4.889 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)c1 1461944166 NEWFOTBQYHEVGU-UHFFFAOYSA-N 426.495 4.501 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)C(=O)OCC 1462156434 OPKRJTKOUWWOOM-QGZVFWFLSA-N 448.306 4.590 30 10 IJEE CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 1466568014 FHKXHTBNCSSTQU-OAQYLSRUSA-N 438.959 4.884 30 10 IJEE C#CC[C@H](NC(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccccc1 1469449229 JTJXYQNZRLZAGJ-NBGIEHNGSA-N 427.589 4.724 30 10 IJEE COc1ccc(CN(C(=O)NCc2ccc(C#N)c(F)c2)C2CCCCC2)cc1OC 1470521581 CITROTYVEBLUHT-UHFFFAOYSA-N 425.504 4.759 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2ccc(CC)c(Cl)c2)CC1)c1ccc(Cl)cc1F 1470664873 AMQGXHHNHWSFAJ-NRFANRHFSA-N 434.342 4.901 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)C1 1472791833 ARDGFHRRZCZUFJ-SJORKVTESA-N 438.494 4.836 30 10 IJEE C#CCOCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCCOCC 1472912447 SLPCMAJSCFCUAT-UHFFFAOYSA-N 448.997 4.904 30 10 IJEE C=C[C@H]1CCCCN1C(=O)Nc1ccc(Br)c(I)c1 1476099889 BHUXPGNEJZFKAQ-NSHDSACASA-N 435.103 4.626 30 10 IJEE CSC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC#N)CC2)CC1 1505196581 ANPUXOFYGCDADX-UHFFFAOYSA-N 427.643 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507667550 UHVQFUFCUFWZQR-QZTJIDSGSA-N 430.474 4.710 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1ncc(CC)s1 1507748164 LDBFVWCWUXHCTK-UHFFFAOYSA-N 437.594 4.713 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1507749762 XHLFSCWLERGWSN-UHFFFAOYSA-N 435.597 4.602 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCc2ccccc21 1507789243 VQYDBSDEIWIXRL-SFHVURJKSA-N 444.402 4.666 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(OC)CC1 1507837919 HUZWKTGEGRRZJM-QHCPKHFHSA-N 448.995 4.595 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCSc2ccccc2)CC1 1507894506 DXUXNXFKRHEJSW-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCn2nc(C)nc2C1 1507911964 QWZOASILAWKJAO-UHFFFAOYSA-N 446.386 4.774 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1noc2c1CCCC2 1507967655 IXIIVZQIASUNGD-OAHLLOKOSA-N 427.936 4.609 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@H]1C 1507973494 GHKWAUREKISZPB-QGZVFWFLSA-N 425.577 4.919 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(CCC)CCc1cccs1 1508050350 XJBIQFNHZPGNIZ-UHFFFAOYSA-N 434.407 4.753 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1510289716 FPQSGBLJJAWYQY-DENIHFKCSA-N 428.531 4.610 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1scnc1C 1513224951 GDNKWTJYJKEXLU-GBXCKJPGSA-N 434.613 4.958 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC#N)CC1 1514348066 GPKQRMVOWRVJJC-UHFFFAOYSA-N 446.599 4.955 30 10 IJEE C=CCN(C(=O)/C(C)=C\c1ccc(Br)o1)[C@@H](Cc1ccccc1)C(=O)OCC 1522164579 BXGLHOWCNDPRHN-VDUFWMCCSA-N 446.341 4.634 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cc1 1531433587 SUTNELYCDKZNSG-KSFYIVLOSA-N 430.342 4.545 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 1533271833 LJDHFJWAQOJPJF-LAUBAEHRSA-N 432.486 4.911 30 10 IJEE Cc1nc(NC(=O)COc2ccccc2C#N)sc1Cc1cccc(Br)c1 1534329858 DHBCCQUVLAMBCV-UHFFFAOYSA-N 442.338 4.694 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1538984609 MEUVVQOGHWAPEA-QHAWAJNXSA-N 433.600 4.907 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCC2(CCOCC2)C1 1539094727 UJZQKOPBFRXINZ-QFIPXVFZSA-N 436.600 4.845 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1539345248 RWQWDFSWMIPUPN-ZRZAMGCNSA-N 433.644 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1cccc(C(F)(F)F)c1 1539563639 MJTLITBUDUJXDG-OAQYLSRUSA-N 430.499 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CCC1 1539623604 MXHZJEUWYFMOKE-DYESRHJHSA-N 430.980 4.825 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1539891895 MMFRQAIBRKGDGK-OAQYLSRUSA-N 444.627 4.796 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CCCO1 1540133476 GPUOUVLQRWUGHH-HSZRJFAPSA-N 441.938 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1Cc1csc([C@@H](C)OC)n1 1540153949 OIJHFYASZXWQMH-OAHLLOKOSA-N 429.977 4.989 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OC)c(OC4CCCC4)c3)n[nH]2)c1C 1540528753 XXZPQANCQOKZJR-UHFFFAOYSA-N 435.528 4.658 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1540663887 NYOYZTMVNWCTJQ-UHFFFAOYSA-N 440.590 4.994 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCSCC=C)C1 1540885294 FYSNRPINZLEAAF-MJGOQNOKSA-N 444.670 4.832 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(COc4ccccc4)c3)n[nH]2)c1C 1542197611 GTFLHHDJKZSBEJ-UHFFFAOYSA-N 441.535 4.585 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 1543960372 HYXCZWOHXFUZPZ-UHFFFAOYSA-N 448.567 4.641 30 10 IJEE C=CCCOCCCCC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1544190180 UILVYEQKDVPHBQ-FQEVSTJZSA-N 437.422 4.914 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)c1 1544373770 FWKBQRWZFACMPM-LSDHHAIUSA-N 425.311 4.581 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)CCCCc1ccc(I)cc1 1545002414 HDRKDVVBHQZSLC-UHFFFAOYSA-N 446.288 4.717 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CO)c2ccc(F)cc2F)cc1OCC 1560540640 UZHZXTKSRBRICW-SFHVURJKSA-N 442.300 4.514 30 10 IJEE N#Cc1cc(S(=O)(=O)NCC2(Cc3cccc(Cl)c3)CC2)ccc1C(F)(F)F 1561637593 AXBPUTAPPNNZTP-UHFFFAOYSA-N 428.863 4.532 30 10 IJEE O=C(Nc1cccc(-c2nc(O)n[nH]2)c1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1568824594 OLXFEIYRSTZGSN-UHFFFAOYSA-N 448.298 4.719 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)cc2)[C@H](c2ccccc2Cl)C1 1585923544 AAEHSDUXALQZDA-FQEVSTJZSA-N 425.916 4.646 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2)c1ccccc1 1586027910 TVECGEWIBMYSBW-XNBNAIJYSA-N 425.550 4.752 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)c2cccs2)CC1 1587837833 KAPONYKDMOKPAS-UHFFFAOYSA-N 434.565 4.528 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCCc1nc(C)cs1 1588482809 WDYVIBDWKSRQBN-UHFFFAOYSA-N 448.571 4.840 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@H](CC)C1 1589008747 XSNYSMBDRRNLTQ-PKOBYXMFSA-N 444.670 4.646 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1589449832 RKUDQDWNIDLTQI-QRWLVFNGSA-N 435.341 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CCO[C@H]1C1CC1 1589609164 UTLYFVQFVGJYAR-RXVVDRJESA-N 448.409 4.643 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@@H](CN(CC)CC)C2)nnc1C1(c2ccccc2)CCC1 1593932799 QJHHYNXGAVNUDU-FQEVSTJZSA-N 428.024 4.669 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCCS2)CC1 1594218614 MQTJKIFNYYWECN-IBGZPJMESA-N 428.602 4.650 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](SC)C(C)(C)C)CC1 1594240913 CCXRQDMYPNVFLQ-LEWJYISDSA-N 442.629 4.971 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1594473308 QCJJLVSHKCLLEL-IRXDYDNUSA-N 430.618 4.895 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1595037748 KHXRCXZKVGNXPX-GOSISDBHSA-N 433.522 4.547 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1595099633 FYQVMJPBZKCTJF-SGIRGMQISA-N 435.572 4.542 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CC1(COC)CCCCC1 1595156512 NHKSDPJPVRNEBP-IBGZPJMESA-N 430.618 4.633 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1595200554 IHMACGSLXDJCBU-XMMPIXPASA-N 428.584 4.664 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1595250886 LEUYAUBUAHEKPM-QZTJIDSGSA-N 448.493 4.800 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1595860436 OTPLXLAWPWFIGB-UXHICEINSA-N 427.643 4.846 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)s1 1595878058 HSHFXHJRRQYQJQ-UHFFFAOYSA-N 427.437 4.925 30 10 IJEE C=CCC1(C(=O)NCc2cc(Br)cc(Br)c2N)CCCCC1 1596747907 VLRWRCNTXKFKGF-UHFFFAOYSA-N 430.184 4.937 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C(F)(F)c1ccccc1NC(C)=O 1596887235 XYYGUPQYVHNVGI-UHFFFAOYSA-N 439.256 4.703 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)NC(C2CCCCC2)C2CCCCC2)ccc1F 1598032105 DUGLKGQOVZIZPN-UHFFFAOYSA-N 436.593 4.549 30 10 IJEE C=CCN1/C(=N/c2c(C)n(C)n(-c3ccccc3)c2=O)S[C@H](C)[C@@H]1c1ccc(OC)cc1 1614415122 ULEIPDQPNQABFA-KUBPTQLQSA-N 448.592 4.845 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1614537522 GJQYOSNPXYUDIS-PMACEKPBSA-N 433.604 4.819 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1621507806 RKZRWHYGDIWMRT-HXUWFJFHSA-N 440.971 4.804 30 10 IJEE C=CCn1c(SCC(=O)NCc2cc(Cl)ccc2O)nnc1-c1ccc(Cl)cc1 1628666634 HBZFAUHPFRWFDM-UHFFFAOYSA-N 449.363 4.552 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)C1 1632373652 OIBSEAMNFUDTAZ-SFHVURJKSA-N 447.000 4.984 30 10 IJEE C=CCCC[C@H](C(=O)N1CC(n2cc(-c3ccc(OCC)cc3)nn2)C1)c1ccccc1 1632422688 OWTJDGMDIBIFPG-DEOSSOPVSA-N 430.552 4.867 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 1634600013 BCPWJWHFKJZYNO-TZIWHRDSSA-N 440.588 4.525 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1cc(Br)ccc1OC)c1ccc(F)cc1 1636547709 GWUJLHPSVWRGFK-MOPGFXCFSA-N 431.305 4.818 30 10 IJEE C=CC[C@H]1CCCN(C(=O)NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 1637229275 XFZDDJRPQQTZEX-FQEVSTJZSA-N 438.568 4.823 30 10 IJEE CC1(C(=O)NCc2cccc(-c3cnco3)c2)CCN(c2ccc(Cl)cc2C#N)CC1 1640572777 HBWHJTRQBLCLGM-UHFFFAOYSA-N 434.927 4.790 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@H](CCC)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1641288612 WEPFMXDHONILPM-FNZWTVRRSA-N 444.575 4.908 30 10 IJEE C#CCN(C)CCCNC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1641720204 PCLQXLUHYLQGQC-UHFFFAOYSA-N 447.391 4.593 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN([C@H](C)c4ccsc4)CC3)c2C#N)C1 1642802196 CLSOLQXJWDQMKB-IAGOWNOFSA-N 442.654 4.513 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O 1645353165 BLFJCKUFCIPJTG-KSFYIVLOSA-N 438.524 4.526 30 10 IJEE C=CCn1c(SCc2noc(-c3ccc(F)cc3F)n2)nc2sc(C)c(C)c2c1=O 1651629320 KAXRNJALMXVOOI-UHFFFAOYSA-N 446.504 4.881 30 10 IJEE COC(=O)c1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)c(C)s1 1652556401 CEKHEEUFBPGLQM-UHFFFAOYSA-N 447.541 4.706 30 10 IJEE CCc1ccc([C@@H](COC)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)o1 1661695374 HRHYQGSKSNWIFZ-LJQANCHMSA-N 435.528 4.706 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 1663216854 BNVABMYURJMMDL-IBGZPJMESA-N 432.332 4.522 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccsc1Br 1666025726 WFMMYFLBABJWDY-UHFFFAOYSA-N 426.810 4.744 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(Cc4cccc(Cl)c4)CC3)cc2)nc1 1666473170 BQFVUXFDSFUVIM-UHFFFAOYSA-N 447.926 4.749 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)cc1 1667082671 FLCRPTGDUGEEMK-VWLOTQADSA-N 433.596 4.896 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)sc2ccc(C#N)cc12 1669574643 FYBACQFAQQJUTK-SFTDATJTSA-N 440.590 4.948 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C 1672210215 RXLQOWPCRHYONM-QFBILLFUSA-N 444.373 4.798 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 1672210216 RXLQOWPCRHYONM-VQIMIIECSA-N 444.373 4.798 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)NC[C@@H](c3cccc(Cl)c3)N3CCCC3)CC2)cc1 1675451995 HLZZOMPGQJWIEO-DEOSSOPVSA-N 434.971 4.847 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)cc1 1676740177 WRUJXORPWMUSRY-UHFFFAOYSA-N 429.307 4.572 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(C)(C)C1=CCOCC1 1676787804 YTZOCDGYMXSSRP-UHFFFAOYSA-N 425.342 4.659 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(Br)cc1 1676962405 BROVNVZZYLRSSV-WIYYLYMNSA-N 443.341 4.591 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(Br)cc1 1683680809 HLXKSXWHBWNACN-MOPGFXCFSA-N 425.326 4.869 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)C1 1685752561 OQKTXTFLWXOZRM-QUCCMNQESA-N 432.490 4.580 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)[C@H]1CCCc2ccccc21 1686588662 USBLJWBSIYWGNT-WVQWTBLQSA-N 447.554 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)c1nccs1 1689839554 IQWSLXNEMSCYGM-ZWKOTPCHSA-N 447.564 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=C)Br 1689863626 XTLLRSRDQXYYIW-LBPRGKRZSA-N 444.160 4.530 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1689876679 HCHFAHAMTLIVOE-KNQAVFIVSA-N 440.563 4.756 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1C[C@@H](C)O[C@H](C)C1 1690091362 QRHKVGMOHUXJBW-RTBURBONSA-N 426.580 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690250412 HGWKYXHAYPIUAR-KHHDVDEJSA-N 448.533 4.679 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1690251172 QBIOGNZYODURMV-UGKGYDQZSA-N 446.517 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(C)C)C1 1690253053 MCXIXFPKCXZUTN-NMMYMHLASA-N 442.579 4.850 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1690338655 FHDVPEGDMJNTKK-HNNXBMFYSA-N 430.915 4.727 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1690402644 KKEBMDNONHMPHL-FQEVSTJZSA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCN(CC)CCC)CC1 1690410463 MDSAVWGTVATCSC-UHFFFAOYSA-N 434.588 4.734 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1690457237 TYHRGXZRDYYDTQ-UHFFFAOYSA-N 436.457 4.829 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1Cc1ccc(-c2ccsc2)nc1 1690532925 XMXDAELDUXRURI-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1nc(C)c(C)s1)C1CC1 1690538842 QMDCDCMFONVSGA-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1690549910 MVIKKAQHTKHUMA-AREMUKBSSA-N 438.616 4.960 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@@H]1C(=C)C 1690588210 MQMUKTBSPWSRFJ-DYESRHJHSA-N 428.964 4.767 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)C1 1690690295 VYDCRMNXMROZFO-HXUWFJFHSA-N 433.581 4.637 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CC1CCN(Cc2ccccc2)CC1 1691131684 AXWPHABCYHPMOA-UHFFFAOYSA-N 448.659 4.909 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1nc(C)c(C)s1 1705481917 OWFPTCUMIGBXFT-HUUCEWRRSA-N 439.654 4.905 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1705515304 AAZHBFOTBKMNAL-RTWAWAEBSA-N 446.954 4.694 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705539309 ONVKOFLUGJJERH-UFYCRDLUSA-N 429.609 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(OCc2ccccc2)c1 1705717048 BHWJQMGFPOCGJP-HSZRJFAPSA-N 447.583 4.597 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)CC)CC1)c1ccccc1 1705797738 BITMBXHQVINDGY-LADGPHEKSA-N 437.632 4.800 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](CCOC)C1 1705814718 YCNBARIPWKPDJJ-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1705826586 XBKZFFWJFXFFPB-IBGZPJMESA-N 426.605 4.839 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)COC1)C1CC1 1705849576 QGXVVRKBRUPKHO-QGZVFWFLSA-N 430.980 4.880 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1)C1CC1 1705855188 XMMVHMIDSGYHPG-LJQANCHMSA-N 443.636 4.984 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1705939304 CHTJBCFAOGLGDY-ZACQAIPSSA-N 436.622 4.807 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705942607 YCZYWSDOXABOAQ-LNLFQRSKSA-N 446.686 4.912 30 10 IJEE C=CCSCCn1c(N2CCCCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705949823 KFODRVFFHFQZJZ-KDURUIRLSA-N 449.665 4.739 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722311826 KZBSKDBVLHQWEY-LJQANCHMSA-N 442.991 4.542 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722325864 CCAWMDGXWQKLOX-DZFGPLHGSA-N 428.552 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C(CC)CC)N(C)C 1722469999 KDDURNRHYKUKGQ-JYFHCDHNSA-N 432.616 4.785 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1722524684 LIBKKCCBKFFHGL-MOPGFXCFSA-N 430.980 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1=CCCCC1 1722527080 YIMXECINCXZQDK-UHFFFAOYSA-N 442.633 4.531 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722686666 CDQVVWJJFFJUJD-OAQYLSRUSA-N 428.024 4.801 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1722691114 LEHQFWXQNYNWGC-INIZCTEOSA-N 427.549 4.585 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCCCC1 1722734353 DFWJXOHFMPQKQI-UHFFFAOYSA-N 438.439 4.971 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC2(CCCCC2)O1 1740599455 AYGNDFTYVKDLIX-FCHUYYIVSA-N 436.600 4.986 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC(c2ccccc2)C1 1740615232 XHQLNECUGXOQMK-VTLFHKLASA-N 449.599 4.613 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(OC2CCCC2)nc1 1740665018 MPCDWSKSFSJLRU-UHFFFAOYSA-N 429.568 4.732 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CC)C1 1740711873 WFSOTJBPIGGCHA-INIZCTEOSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1740732212 VIUJWLMEIKDXSU-RPLLCQBOSA-N 433.644 4.771 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC[C@@H]21 1740737945 AGPMHHBXMFMOQF-HIFRSBDPSA-N 438.167 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCCC1(C)C 1740777364 WQDLRPLTHBJODR-DEOSSOPVSA-N 444.645 4.923 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCCN2CCCC)CC1 1740829197 NYAPKWXYPICHHN-JOCHJYFZSA-N 441.595 4.807 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(CN2CCCCC2)cc1 1741132239 GPNQUVNBPWHACF-NRFANRHFSA-N 434.632 4.641 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC[C@H]2CCCCO2)n1 1742313323 BCBHAIDBQFZWFJ-JOCHJYFZSA-N 430.556 4.506 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2ccc(Cl)nc2C1 1748734437 GZHIHFKIPNNPFX-UHFFFAOYSA-N 443.885 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1C 1749124495 OCALYRNARLMLPP-FCEWJHQRSA-N 431.378 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1CCc1ccc(OC)c(Br)c1 1749142337 XOGFRHYVHCZTQL-UHFFFAOYSA-N 435.410 4.992 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1749420905 HSOBGYFYPWIXCL-DFNIBXOVSA-N 440.592 4.606 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(C[S@](C)=O)cc1 1749544172 BNLAZDNMMNNZPX-LJAQVGFWSA-N 428.627 4.582 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1cccnc1OC1CCCC1 1749547022 JDWWJVHETSUBAH-UHFFFAOYSA-N 435.547 4.937 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](c1cccnc1)C(C)C 1749551282 UZBZHVQCTYFESD-OAQYLSRUSA-N 445.596 4.824 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1csc(C)c1 1749583083 WEQSEPREIHYUKU-IBGZPJMESA-N 443.617 4.947 30 10 IJEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1cc(Br)cs1 1749601064 WJVKLEQZURQZJJ-UHFFFAOYSA-N 439.423 4.522 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)c1cccs1 1749750108 WMDLYZBGJGKUFE-HNNXBMFYSA-N 428.583 4.852 30 10 IJEE C=CCSCCn1c(CC)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1749758599 UHIFRZHAZQVLLC-KRWDZBQOSA-N 427.401 4.644 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)c1c(C)noc1C 1760212630 YZPHUUVRIPPWJE-XXBNENTESA-N 429.568 4.691 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CC1(COC)CCCCC1 1760241371 XRFDMEAYXKGOLS-UHFFFAOYSA-N 435.547 4.649 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1ncc(CC)s1 1760318499 GLPJFGATHSKXHC-PGRDOPGGSA-N 437.613 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1csc(CC)n1 1760340882 RAXYZRFYGFFOHD-UHFFFAOYSA-N 425.602 4.944 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1760385030 KFJWTSJZSBXTMU-UHFFFAOYSA-N 448.571 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(C)noc1C 1760408423 BSUKBWCANQZZPU-UHFFFAOYSA-N 447.381 4.879 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1760411875 FMYGJEZBVVXWJB-OALUTQOASA-N 444.624 4.591 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760412023 UYTIMTNPYGKVSA-FGZHOGPDSA-N 442.696 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(S(=O)(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1760416178 WKVAOMXXZKHZDJ-UHFFFAOYSA-N 444.645 4.621 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](c1ccco1)N(C)C 1760457603 YVAVTXIGTSNDKG-WMZOPIPTSA-N 425.602 4.650 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760531947 FYSPADAMTUCDFE-SFHVURJKSA-N 438.494 4.562 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(C)C)C1 1760537277 MGDJBHRLQFQJKJ-QGZVFWFLSA-N 449.393 4.544 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1760565893 HEQJTBDUAMUNNB-UHFFFAOYSA-N 430.462 4.717 30 10 IJEE CC[C@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)N1CCc2ccccc2C1 1764282092 GGRYLOJVTFRXPL-ATIYNZHBSA-N 434.632 4.543 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)C1 1766780677 BQKMTLYLHBRIEX-WOJBJXKFSA-N 436.585 4.580 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)CC2=NOC(=O)c1ccccc1 1772722829 WXEJDQLVYOXWTF-RPWUZVMVSA-N 435.480 4.963 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862433368 AIYRNYJLUCLYJQ-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2cccc(Cl)c2)c1 1862491620 XPRYBBWWPAPBMD-JOCHJYFZSA-N 440.971 4.877 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862541452 LSQUNAILJMIMFD-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(O)cc1 1862572129 WXAKVGIYSNYJDN-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862591900 QMOPRSHTZBNMGJ-HSZRJFAPSA-N 433.504 4.870 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862672322 AIDSWWVIZJGYOI-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714480 CJILSISVCXNMRJ-GGAORHGYSA-N 431.463 4.736 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863430749 LTGFPVHLZYXAGA-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CCCN(CCCN(C)C)c1cc(Nc2ccc(C#N)cc2)nc(Cc2ccccc2)n1 1868220189 XQDGJBIXHWRURE-UHFFFAOYSA-N 428.584 4.851 30 10 IJEE CN1CCN(c2cc(Nc3ccccc3C#N)nc(-c3cccnc3)n2)C[C@H]1c1ccccc1 1868572450 NOQFDEKTNKWRIJ-DEOSSOPVSA-N 447.546 4.647 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1870139231 GCKASEFRQFWBST-UHFFFAOYSA-N 436.519 4.904 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c1C 1870145214 XBBHPLVMOJJVLR-UHFFFAOYSA-N 437.931 4.824 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN(CCCC)CCCC 1870573390 UKYYYOFUCBDQGX-UHFFFAOYSA-N 432.605 4.691 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)nc(Nc2ccc(OCC)cc2)[nH]1 1871531368 FIZZTXIHXFAXFF-UHFFFAOYSA-N 430.556 4.535 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1871855627 GIXQXWFOLMERJV-WZONZLPQSA-N 442.581 4.812 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872403905 YHOREQBIRPFZHS-QFIPXVFZSA-N 428.598 4.760 30 10 IJEE N#Cc1ccccc1Nc1nc(N2CCOc3ccccc32)nc2c1cnn2-c1ccccc1 1873483912 FIZJVWPRPWVNIC-UHFFFAOYSA-N 445.486 4.961 30 10 IJEE CCCOc1ccc(/C=N/Nc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1OC 1873529682 WRAQQMIAYXKZTB-WYMPLXKRSA-N 447.322 4.783 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657378 BMDUCXRIXGTKKV-AWEZNQCLSA-N 427.911 4.898 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(N(CCC)CCCC)ncnc21 1873659263 JFTLNZSHBWAMMV-UHFFFAOYSA-N 431.544 4.762 30 10 IJEE N#Cc1cccc(NC(=O)C[C@@H](CN2Cc3ccccc3C2=O)c2ccc(Cl)cc2)c1 1873867252 SQNUYGHJBDAEEW-FQEVSTJZSA-N 429.907 4.980 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874305539 CNVKAYGYUHRZNC-OEAKJJBVSA-N 437.525 4.531 30 10 IJEE Oc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 1874346893 LHYHCCSGFMBFIB-KOEQRZSOSA-N 430.533 4.780 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OCC)c(OC)c1 1874372317 STMHPGDXSXDMNT-PXLXIMEGSA-N 428.583 4.692 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OC)nnc2-c2cccs2)cc1 1874422778 DTUWGOWQMHSDNY-HYARGMPZSA-N 444.582 4.723 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1 1874424093 UJJIXOADRNNRQU-PXLXIMEGSA-N 427.599 4.630 30 10 IJEE CCOc1cccc(/C=N/n2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)(C)C)c1 1874481926 PUKUUWLTKYWMTB-YDZHTSKRSA-N 442.541 4.528 30 10 IJEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874527664 ZTEOROCYCHKASN-FSJBWODESA-N 446.960 4.694 30 10 IJEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCC(=O)Nc1cccc(C)c1C 1874528406 HXRRVASPAYGREQ-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE CCCOc1c(/C=N/n2c(S)nnc2CCCOc2cccc(C)c2)cccc1OC 1874567037 BFDZDVUQFFMTQK-LFVJCYFKSA-N 440.569 4.566 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)OCO2)NC1CCCCC1 1874582673 ACRCRTLLHOJBDJ-RMKNXTFCSA-N 441.911 4.793 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)c1OCCO 1874586785 FEVDEFDNUXGUKV-ONEGZZNKSA-N 431.699 4.931 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC(=O)Nc1cccc(C)c1 1874593179 WPRKICAZPNSSFU-PKNBQFBNSA-N 446.459 4.825 30 10 IJEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)OCCO4)ccc2OC)c1 1874706662 SZUBHZORZWOMSQ-RMKNXTFCSA-N 446.455 4.590 30 10 IJEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Br 1875146418 UDYBRTKWDZNAQT-QPJJXVBHSA-N 431.282 4.822 30 10 IJEE O=C1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)cc2)=NN1 1875165152 FFMKEDOIXGLOCB-LZYBPNLTSA-N 440.455 4.546 30 10 IJEE CSc1cccc2sc(N3CCN(C(=O)c4ccc(C5(C#N)CC5)cc4)CC3)nc12 1891355078 RSYAPIPQGKLXOQ-UHFFFAOYSA-N 434.590 4.536 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1984725711 NJAWHERIACTJID-FQRUVTKNSA-N 444.575 4.812 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2008612756 CZUVSVUIYBMBOD-AABGKKOBSA-N 442.522 4.925 30 10 IJEE CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1cc(OC)c(OC(F)F)c(OC)c1)CC2 2040724876 FXJYIELNLVVJFY-UHFFFAOYSA-N 436.407 4.596 30 10 IJEE C=CCC1(C(=O)N[C@@H](C)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2060603280 OMTXMEUMLCAKMP-LBPRGKRZSA-N 429.380 4.501 30 10 IJEE C=CC[C@@H](COc1ncc(Br)cc1C(F)(F)F)NC(=O)OC(C)(C)C 2078079063 PZKQQEZASZDGHZ-NSHDSACASA-N 425.245 4.711 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)c(O)c1 2079037900 RDPRZFHWGZIXNE-CYBMUJFWSA-N 449.214 4.638 30 10 IJEE CCCCCCC[C@H](NN)c1ccc(Br)cc1I 2086144900 GETVGVOFZDXJLP-AWEZNQCLSA-N 425.152 4.919 30 10 IJEE CC1(C)OB(c2cccc(OCc3c(F)ccc(Br)c3F)c2)OC1(C)C 2154479292 MELLTIUUQAUHMX-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CN(c2cc(Br)ccc2C#N)C2CC2)C1 2174811923 DYKARYFLQWEVJN-HNNXBMFYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(c1cc(Br)cc(F)c1C#N)C1CC1 2174812142 HNZUSGJXJPMTJP-HNNXBMFYSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(C#N)cc2Br)C(C)(C)C1 2181108132 PBMJSKAPNSZKSW-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1N(c2cc(Br)c(C#N)cc2F)CCCC1(C)C 2184378818 DRYDBRDAMDFKAC-QGZVFWFLSA-N 440.357 4.980 30 10 IJEE C=CCCCCCCCCC[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2207432030 LMVOPONXOQYRMN-DFXYEROKSA-N 437.602 4.812 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224080521 NJZICDNREOEEFX-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Br)nn2CCC)C1 2232455677 PAXJFWPIOCVJDK-KRWDZBQOSA-N 441.414 4.710 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1(N(C)C(=O)OC(C)(C)C)CCCC1 2235721073 AMXWEOIQLPUFPP-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C#Cc1ccccc1Br 2235745933 XABBCQUZVXGGDB-AVRDEDQJSA-N 436.390 4.835 30 10 IJEE N#Cc1ccc([N+](=O)[O-])cc1Nc1ccc(I)c(Br)c1 2237601631 GUAHQSOOQHBTJO-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)CCC(C)(NC(=O)OC(C)(C)C)CC1 2262198765 BPJLTQAXCAKMCP-UHFFFAOYSA-N 447.572 4.847 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)c3ccccc3)ccc2F)OC1(C)C 2266986175 GMTAYFCTCPGQNG-UHFFFAOYSA-N 431.316 4.972 30 10 IJEE C[C@H](CN(CC(C)(C)C)C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 2272513708 OGLWRDFMGBNBJQ-CYBMUJFWSA-N 426.355 4.766 30 10 IJEE O[C@@H](C#Cc1ccccc1Cl)c1cc(Br)ccc1I 2277850700 RDBRFNAJEQLTDN-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(Nc3ccc(C#N)c(Br)c3F)C2)C1 2280145607 KLZXWYRRYGEPNK-NFOMZHRRSA-N 438.341 4.907 30 10 IJEE COC1(CSc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCCCC1 2280304848 KSIXYHRWVWZMBG-UHFFFAOYSA-N 442.228 4.585 30 10 IJEE CC1(C)OB(c2ccc(F)cc2C(=O)Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2282401420 QZLXMZFIZUZNGL-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC1(C)OB(c2nscc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)OC1(C)C 2282613511 BOHIKXNSSFJYHB-UHFFFAOYSA-N 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444.478 4.819 30 10 IJEE C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524427089 CPJIQXKCWCZLQD-QGZVFWFLSA-N 447.922 4.949 30 10 IJEE CCOc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1[N+](=O)[O-] 524456169 VMYLSKULTUVLAI-UHFFFAOYSA-N 435.411 4.836 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccnc2)cc1OCC 526519677 DJIKNGZPDRRVCO-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 555254171 BCUWIQPEZUQDLU-FGZHOGPDSA-N 434.588 4.957 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 559000348 JRHGSRIVLPSNIA-OAQYLSRUSA-N 435.535 4.871 30 10 IJEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H]1c1cc(Br)ccc1OC 579894351 RVQSIEVWZOSDAT-KRWDZBQOSA-N 429.318 4.837 30 10 IJEE N#Cc1ccc(CN(c2cccc(OC(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 586197427 RAGIXWJJMMXPES-UHFFFAOYSA-N 432.423 4.852 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C)c(C)c2)c1 586246543 LVEIAEFTSRKSKK-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE 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C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 1146875620 CWUHWQAKZLQUBU-DENIHFKCSA-N 429.605 4.578 30 10 IJEE Cc1ccc(C)c(N2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)CC2)c1 1167653075 DXEDUTPCSLLLQK-UHFFFAOYSA-N 447.627 4.859 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 1211685427 AETMPCVJXSIBST-UHFFFAOYSA-N 429.756 4.919 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OCCc3ccccc3)nc2)cc1 1215276006 RYLAVOTVESAKSK-UHFFFAOYSA-N 431.496 4.655 30 10 IJEE C#CCN(C(=O)N[C@@H](C1CCCCC1)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1216774895 LFPNSLTYVIDTLT-SFHVURJKSA-N 445.526 4.542 30 10 IJEE N#Cc1sc(NC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)nc1Cl 1219069290 FYVHGNREMALJBA-OAHLLOKOSA-N 443.985 4.651 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccc(F)cc1 1230478554 JWHUPULRVNXWBM-RTWAWAEBSA-N 443.563 4.567 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1230511381 RUWKMHZRIJHMAX-DHIUTWEWSA-N 449.913 4.703 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC)c1ccccc1 1254762602 HNTHYYIFRZWVTC-YADHBBJMSA-N 445.604 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)[C@H](C#N)C1 1265833363 CJWZKARHLRBICJ-GOSISDBHSA-N 425.573 4.621 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 1271204378 JNHMOQIMZAAXAC-UHFFFAOYSA-N 427.426 4.990 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 1271329877 GSRSPUFPQSMOBG-QHCPKHFHSA-N 433.552 4.568 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)[C@H](C)CC 1286402424 ZJRNIXPKGXKBJF-WIYYLYMNSA-N 447.608 4.511 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(CC)CCC1 1286463024 FNPOOCBAAPJESB-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCCC1CCOCC1 1286518837 LCRNKWKFYYISSQ-UQBPGWFLSA-N 440.563 4.756 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1286584769 TXNQZUNMZQBZRN-CRAIPNDOSA-N 426.362 4.994 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1286643644 QBMXEAQSFXSWHN-SFHVURJKSA-N 445.995 4.916 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286702554 SRNRFXWTZTWLDO-LJQANCHMSA-N 445.633 4.638 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CCCS1 1286750282 WNVJVUYWMGJAHY-JOCHJYFZSA-N 442.658 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC2CCCC2)nc1 1286754470 YJSGJVYZXMYORM-UHFFFAOYSA-N 440.551 4.760 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1286770709 SSHUEKLMPVNIJW-UHFFFAOYSA-N 435.597 4.845 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)s1 1289126360 IXDNDCKYBRMYKG-SNVBAGLBSA-N 430.929 4.931 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C1)c1ccsc1 1295396137 BMLJCZSSSWTOKA-GCJKJVERSA-N 434.613 4.808 30 10 IJEE Cc1cc(-n2c(C)cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)c2C)no1 1299753780 HNZPHHPDXVAHSI-CQSZACIVSA-N 430.430 4.964 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(CC)C1 1300361537 HFIWRXQKQUQVBJ-CPJSRVTESA-N 443.636 4.823 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1300365958 CHDFUYDZIZNKRW-FQEVSTJZSA-N 437.588 4.960 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1300383500 APZVYLMCHKVIGK-DNQXCXABSA-N 449.643 4.761 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1300395103 WALLJMUPKDCCEY-NRFANRHFSA-N 449.624 4.999 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CCCCC1 1300521308 NWXSSIGVDRQURK-UHFFFAOYSA-N 428.536 4.770 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1300863457 OLUXLQRCAQWSQY-OAQYLSRUSA-N 440.389 4.787 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1300930835 NIEXJACPILOIJE-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1301134910 ORHBTWMLHDBRBN-RDGATRHJSA-N 438.616 4.937 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1C(C)(C)C)c1ccccc1 1301167956 IJNWEZURWAQECL-FGZHOGPDSA-N 431.584 4.988 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nccn1C(F)F)C1CC1 1301313706 FRMBHZIRQMQOIW-QGZVFWFLSA-N 442.514 4.830 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1cccc(C)c1 1301427018 YNCKUAGHHUERJN-YMPZKCBVSA-N 440.632 4.948 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)cc1 1301527631 ZJUIGPVCYOJCCJ-OAQYLSRUSA-N 436.600 4.968 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@H](C)C2)C1 1301566115 MQOWRSWDJDMCQR-DBXWQHBBSA-N 430.980 4.728 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)C1 1305864671 DTPZDCYJJJCWFO-ISJBWFOZSA-N 434.632 4.811 30 10 IJEE C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)[C@H](C)C(=O)N1C 1310888039 BVKMNKZHVPFXKT-RBSFLKMASA-N 442.972 4.834 30 10 IJEE CCCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(c2ccccc2C#N)CC1 1312204353 HGLUAQNOZRQQSK-QHCPKHFHSA-N 434.584 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OC)nc1 1359066981 WSMZGBIBMAZGHO-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359166931 MNVWFGMKCNGZLM-FGZHOGPDSA-N 439.623 4.923 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1359223599 QDRMIGDMLJEYNM-CTNGQTDRSA-N 425.533 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCCC(C)(C)C1 1359234466 PODCLNPVVXBHKE-UHFFFAOYSA-N 438.439 4.513 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1359247876 RVXFTSHEEIJUIC-OAQYLSRUSA-N 448.409 4.522 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CC1CCN(C2CC2)CC1 1359255756 JHWGZXBPLIDBCM-HXUWFJFHSA-N 432.616 4.730 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1 1360373820 FEIZQSXRXOTKMF-LJQANCHMSA-N 448.441 4.922 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1440487760 JHKBIGSVQYVWQX-UHFFFAOYSA-N 426.582 4.908 30 10 IJEE C=CCc1cc(C(=O)NCCc2cc(Cl)ccc2Br)cc(OC)c1OC 1458122427 XYRILQYQEDQZKO-UHFFFAOYSA-N 438.749 4.821 30 10 IJEE C=C[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 1459315645 QUXCMVOYSGLXPE-LRXXLLMYSA-N 443.503 4.951 30 10 IJEE C=CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)Cc1ccccc1F 1459347629 MTMQLRQFTKNCLV-MRXNPFEDSA-N 444.572 4.815 30 10 IJEE C=CCn1c(SCC(=O)Oc2ccc(C#N)cc2CC)nnc1-c1ccc(Cl)cc1 1459532268 MFYVSVHUJKYBLF-UHFFFAOYSA-N 438.940 4.916 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)N(CC=C)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)C1 1460312718 ZEDKJBVTYWWKLB-OAHLLOKOSA-N 434.392 4.981 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnc(F)c(Br)c1 1460782321 ZYTWNOUAFOQGCF-UHFFFAOYSA-N 430.071 4.563 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1463273323 VDUNMNAZSAXAEK-PRAQEBQASA-N 428.554 4.882 30 10 IJEE Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CC#N)c3ccccc3)ccc2C)c1 1463674137 HWVCXOBGVXEUIJ-JOCHJYFZSA-N 433.533 4.740 30 10 IJEE C=CCn1cc(CNC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)nn1 1465004242 AYMYSQVHZGCVQO-UHFFFAOYSA-N 427.892 4.630 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)CCCN1C(=O)OC(C)(C)C 1467465016 WBZWMCAUSMZMHZ-TYBLODHISA-N 444.572 4.653 30 10 IJEE COc1ccc(Cl)cc1C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 1474997358 GEQYSDRIHUJTPM-CQSZACIVSA-N 439.364 4.517 30 10 IJEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 1475884344 HPHJSFRICSPVNN-OAHLLOKOSA-N 432.952 4.855 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1475909710 UAIDFROJAVJARD-RUZDIDTESA-N 446.595 4.540 30 10 IJEE C#Cc1ccc(NC(=O)NCCC(=O)Nc2ccc(Br)cc2C)c(Cl)c1 1477147769 VQEKNNABSQGZQL-UHFFFAOYSA-N 434.721 4.543 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)C1 1479313504 OKROPYNEGMUZPC-GOSISDBHSA-N 447.913 4.650 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1cccc(C)n1 1507608890 MYHQBXALNARAPW-UHFFFAOYSA-N 431.540 4.828 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCc1nccs1 1507659992 KHNBHXBKOJOIEU-OAQYLSRUSA-N 447.608 4.587 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(OC)CCCC1 1507672469 CQGUFUFWVHMYEI-UHFFFAOYSA-N 448.611 4.711 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507680315 DCBAYXIMEHJWFC-QUCCMNQESA-N 446.542 4.847 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCCCC1 1507682330 LTQSFOROQYRNFO-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccco1 1507745734 FGDGPYXTVRVUIA-YLJYHZDGSA-N 440.544 4.858 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1507747102 FKZWLGNGPPIKIL-GOSISDBHSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C)c(C)s1 1507764407 MADTWRZZGSTIIK-QMHKHESXSA-N 439.560 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)C1 1507799595 WWWXQDGNQSMXKN-ZTNFWEORSA-N 445.405 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)c1ccsc1 1507812666 ORIGWJFPKLOBQC-HXOBKFHXSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN(CC(C)C)C1 1507814696 CNAMSRDXSLSQOZ-OAQYLSRUSA-N 427.612 4.778 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1507826926 KBEZKIVELOIJAU-FQEVSTJZSA-N 437.632 4.951 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](CC)C1)c1ccccc1 1507930417 WWQNIRWXFHJLLU-TUACAJSNSA-N 431.584 4.628 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)nc1 1508007465 CKEOMXJXZYQUCJ-KRWDZBQOSA-N 429.977 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc(OC)c(F)c1 1508009185 YFUHYUSPJCOGMU-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1C(C)(C)C)C(C)C 1508014513 VEWMTDKQJXOGNC-GOTSBHOMSA-N 443.680 4.527 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1CC1(O)CCCCCC1 1508027237 ZBDUOVATJWHXRU-UHFFFAOYSA-N 445.611 4.584 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)o1 1508048123 KUBXHOUSYOSMQQ-ZDUSSCGKSA-N 435.297 4.735 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)CC)C1 1508114297 KHRLSIZDBXADKV-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)cc1 1523870867 DVCANKYRYOYOCD-UHFFFAOYSA-N 430.504 4.716 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)cc(OC)c1OC 1527422702 YYIQXBZVSPEFTO-UHFFFAOYSA-N 434.492 4.764 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)s1 1529308570 IHFQDJITWTUOLU-YVEFUNNKSA-N 445.050 4.807 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)s1 1531373354 QEGPYPAQYMIKPM-GOSISDBHSA-N 439.002 4.812 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(C(=O)OCC)nc3ccccc23)cc1OC 1534113871 FEENJAGXBFGGIU-QBFSEMIESA-N 432.476 4.637 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1534434807 NYTLVQCYVFEJNQ-KRWDZBQOSA-N 441.471 4.555 30 10 IJEE C=CCN(CCc1ccco1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 1535162349 RNBSOQPFUUFRPV-UHFFFAOYSA-N 444.560 4.877 30 10 IJEE C#CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@@H]1CCCc2ccccc21 1538599335 FUEHSKFIEJFLQP-LJQANCHMSA-N 435.574 4.539 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cnc(C)s1 1538976111 ITHGONLBXBKNGY-MRXNPFEDSA-N 430.581 4.624 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCN1CCC 1539031194 XOMXWKGNYZXWOQ-YADHBBJMSA-N 437.632 4.621 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ncc(Cl)n1C 1539103135 OXOOPDDRTGJXHU-UHFFFAOYSA-N 437.762 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@@H]1CC 1539619923 IMXROLYTWNATCQ-LTDCPUDJSA-N 448.409 4.642 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(C)C)CC1 1539621886 BYSJPCWLDCXFTM-DENIHFKCSA-N 444.023 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1539636540 LFIJGIXUYHKGOD-JTAQYXEDSA-N 426.580 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccccc1C 1539644298 OBPPZGGRXREBTI-RDGATRHJSA-N 438.616 4.816 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1539647690 XUHBFLUUJINZQR-LPOZWGFCSA-N 444.645 4.553 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1539849374 WOHVDTVLLHHYOH-IBGZPJMESA-N 443.636 4.813 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](OCC)C1 1539986108 UKXWWOVNLITIGE-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(C)OC[C@@H]1C 1539989212 PQHAAWNCZFDOBQ-AWEZNQCLSA-N 437.357 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCN1CCCC 1540057620 ANTJOAUKSOEUBF-IBGZPJMESA-N 432.012 4.884 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC2(CCOCC2)C1)C(C)C 1540151730 LWFLAAXPCUWBLN-JOCHJYFZSA-N 443.680 4.572 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1 1540389366 JWGSGUSGQCZPIV-HXUWFJFHSA-N 436.533 4.713 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1541491963 BBPDSWFNXRYUBK-ZJSXRUAMSA-N 441.645 4.582 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C2CC2)cs1 1541805965 AZQSAXKHJJRUEN-AWEZNQCLSA-N 442.976 4.631 30 10 IJEE C[C@H]1CCC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)C1 1543898734 BGGCBFXXHMYZLQ-PXNSSMCTSA-N 448.537 4.716 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 1544273152 GWTLUKPUSZZTCB-NFBKMPQASA-N 434.632 4.810 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)OCC 1544338495 HIETTZXDSVCIIE-CYBMUJFWSA-N 433.744 4.921 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N(CCCO)Cc2cccc(Cl)c2)cc1 1545882496 DDXMPJWIVXULKT-UHFFFAOYSA-N 434.923 4.815 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CCC)c2cccc(C(F)(F)F)c2)c1 1546245217 AJOJHJQKMJDRRG-HXUWFJFHSA-N 437.483 4.774 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)N[C@H](C)CC(=O)N2 1546331950 AXEBJMYRXNYGAZ-QGZVFWFLSA-N 440.503 4.841 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 1559488819 URHZJNCODKSULF-UHFFFAOYSA-N 425.492 4.592 30 10 IJEE C=CCN(CC(=O)Nc1cc(-c2cc(C)ccc2C)nn1-c1ccccc1)[C@H](C)COC 1559993441 XEFMZLSEVHRFGP-OAQYLSRUSA-N 432.568 4.618 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c1ccccc1 1564385851 SZVJHQDWGNPVLK-FGZHOGPDSA-N 439.600 4.818 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(-c4cccc(C)c4)cc3)n[nH]2)c1C 1565904453 ZOXAJVKDVQKARS-UHFFFAOYSA-N 425.536 4.981 30 10 IJEE C=C(CC)CNC(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 1583839683 LGULPKXNXGDRSR-UHFFFAOYSA-N 436.581 4.638 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](CC)C2CC2)c1 1586477968 ALXFQPJDKSNEGP-FQEVSTJZSA-N 432.973 4.640 30 10 IJEE C=CCn1c(SCC(=O)N2C[C@H]3CC=CC[C@H]3C2)nnc1-c1ccc(Cl)cc1Cl 1587459757 HSHKDSJWFLNIES-GASCZTMLSA-N 449.407 4.955 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC2(CCCC2)C1 1587818231 SRMRMGABCQQPCY-UHFFFAOYSA-N 443.389 4.900 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2sccc2[C@H]1CC 1587831966 XIYUGVOEVVJCIL-HXUWFJFHSA-N 436.581 4.951 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1c(C)sc(C)c1Br 1587994593 KNEIKCIFKLJLBQ-UHFFFAOYSA-N 447.377 4.567 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1593695828 ICHZBRKSIDSDIT-IECBHUPTSA-N 428.552 4.919 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCC2(C)C)CC1 1594009455 KPTIGZLKZWOBAV-LJQANCHMSA-N 442.007 4.844 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1594090606 MHMQKLNDCMSUNA-SFTDATJTSA-N 429.634 4.821 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1594115166 NPUCGVLPKZEJLO-WOJBJXKFSA-N 442.677 4.548 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1594237337 QPSRALFJAHOMBL-UHFFFAOYSA-N 435.494 4.723 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@@H](C)[C@@H]1C)c1ccccc1 1594552933 UGXKJNASBXOHCS-JAXLGGSGSA-N 433.625 4.954 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H](OC)C(F)(F)F 1594906788 LGECVMSHKPWUCN-OAHLLOKOSA-N 447.299 4.606 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1ccsc1Br 1595009645 KATAMLCHYWFFQF-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N(C)C)nc1)C1CC1 1595026134 CVNUFKQTYKINPR-HXUWFJFHSA-N 446.599 4.699 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1595033943 TUXRVYZKZOKCON-SFHVURJKSA-N 445.558 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CSCCS1 1595155961 CSXBOVVMGICPDS-SFHVURJKSA-N 443.667 4.751 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2cc(Cl)ccn2)cc1 1595608722 XAFUZKLUDIQONZ-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC2(C)C)C1 1595687534 ADDPJMRKCKHKOL-UONOGXRCSA-N 437.407 4.597 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1616855348 ZFJFAMUERNFVPJ-PXNSSMCTSA-N 446.498 4.568 30 10 IJEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)CC1 1619708516 FDDSTOXVGSDCEY-UHFFFAOYSA-N 441.988 4.637 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@H]2CCCCO2)CC1 1620354592 IBBPTBOIMMERBW-LJQANCHMSA-N 446.020 4.923 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)NC1(c2ccc(Cl)cc2)CCCC1 1621721254 HRCQYNCCYLTHGM-UHFFFAOYSA-N 439.762 4.722 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1622724286 HPJWTUQJDQXKKX-UHFFFAOYSA-N 441.597 4.514 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 1622954695 RBOZMSGAJJGERC-UHFFFAOYSA-N 437.540 4.866 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 1624572694 GDBYEMQGQWCYJI-GOSISDBHSA-N 442.268 4.633 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncccc3OCC3CCCCC3)n[nH]2)c1C 1626588116 GVFAQCAFSZUREN-UHFFFAOYSA-N 434.544 4.682 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)c3ccc(OC)cc3Br)cc21 1627746781 RIATZMLKLZZCDG-CYBMUJFWSA-N 429.318 4.876 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)cc(OC)c1OC 1630154424 MDEXQUWWQOENPB-BGYRXZFFSA-N 436.596 4.840 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(Br)cc1 1632132298 IMCLMPAUZTXTNA-XKGZKEIXSA-N 446.414 4.567 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)c3csc(Cc4cccc(C(F)(F)F)c4)n3)C2)cc1 1633656308 ANVVKSZTYXXIPT-UHFFFAOYSA-N 443.450 4.528 30 10 IJEE N#CCC[C@H](NC(=O)c1cc(Br)cc(Br)c1O)c1ccccc1 1636815750 BYPMIANFJMZIRN-HNNXBMFYSA-N 438.119 4.692 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)s1 1637289758 FOSGIBDKZGLNSH-OAHLLOKOSA-N 431.410 4.684 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 1638988247 WHSQWJGLXYYCQD-AEFFLSMTSA-N 435.593 4.758 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 1640819859 KOGHBKWBQWQWCA-UHFFFAOYSA-N 441.622 4.874 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)n1ccc2ccccc2c1=O 1642400047 CBHYEOJRQWVGLB-CQSZACIVSA-N 427.298 4.529 30 10 IJEE C=CCn1c(S[C@H](C)c2cc(C)c(C(=O)OC)o2)nc2sc3c(c2c1=O)CCC3 1643463949 DCNUQEDDVSFTBG-GFCCVEGCSA-N 430.551 4.674 30 10 IJEE C=CCC[C@@H](C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)c1ccccc1 1643713535 MAOFQWDEWHAQIB-GOSISDBHSA-N 441.597 4.803 30 10 IJEE C#CCONC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1 1645285124 FNGSXVUKNVSJRD-UHFFFAOYSA-N 426.472 4.651 30 10 IJEE CCn1c(SCc2ccc(C#N)cc2OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651648109 FHFARLGPOIHBHD-ZDUSSCGKSA-N 425.579 4.775 30 10 IJEE C=C[C@@H](SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1cc(C)cc(C)c1)C(=O)OC 1652418220 XMDGTEUYAIJOIB-OKPNHQCWSA-N 436.533 4.517 30 10 IJEE CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1cc(C(F)(F)F)ccc1F 1653508229 GRIZIDHPGVKBIW-UHFFFAOYSA-N 431.329 4.564 30 10 IJEE Cc1cccc([C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C(=O)OC(C)(C)C)c1 1655760205 AQMAMEMNXUUVDF-DEOSSOPVSA-N 435.568 4.531 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O 1656695163 GQSYUMRVPZXAJA-ZDUSSCGKSA-N 444.969 4.516 30 10 IJEE COCc1ccccc1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 1661606022 DGFXDMRXGZLHIE-UHFFFAOYSA-N 426.925 4.754 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC/C=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 1662198655 HWUFDVGECYEDIG-LNVUIFQISA-N 437.543 4.936 30 10 IJEE Cc1cccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)c1C#N 1666731935 GJUYZLUPKSYFBJ-YRISNDGFSA-N 440.565 4.611 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cc(Br)ccc1I 1668308499 RWWAFUOYVFHDME-UHFFFAOYSA-N 437.119 4.920 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1ccc(F)c(F)c1 1668689379 MDMIBIUKEDURQW-KRWDZBQOSA-N 434.277 4.603 30 10 IJEE CN(C[C@H](O)c1cccc(Br)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1668913137 AVHRAYMYGMMRJV-INIZCTEOSA-N 442.235 4.537 30 10 IJEE C=CC[C@@H](CC)NC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1672200986 DRHHFSMXPRJSRH-QUCCMNQESA-N 443.588 4.934 30 10 IJEE C=CCOc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1 1674364353 GZPRIBCPQDXBEK-XMMPIXPASA-N 447.604 4.912 30 10 IJEE C=CC[C@@H]1N(C(=O)NC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)CCCC1(C)C 1678027288 WNMUCTIBJIQRBX-PKTZIBPZSA-N 425.617 4.948 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1682886048 HWTUAPSETHCHOH-UHFFFAOYSA-N 428.532 4.984 30 10 IJEE C#C[C@@H](NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(Cl)cc1F 1683517096 PXOJVJGEBNZZTJ-OAQYLSRUSA-N 442.897 4.957 30 10 IJEE C#C[C@@H](NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1)c1ccc(Br)cc1 1683680248 AURZYLQIBIUHSG-GOSISDBHSA-N 430.733 4.671 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCO[C@H]1CCCC[C@@H]1C 1689947569 IBBNKEAZZGOJEY-WFXMLNOXSA-N 430.980 4.736 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1690219698 JQHCPSSZLOIHOM-MRXNPFEDSA-N 432.410 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(F)cc(C)c2C1 1690247954 ISCFFFFTCRFUEV-WMZHIEFXSA-N 426.580 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H](CC)N1CCc2ccccc2C1 1690261202 BFFSGMAIJDUYLS-HSZRJFAPSA-N 432.616 4.523 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1690273125 HXHQRMGFRNMBOS-LAUBAEHRSA-N 448.398 4.743 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1CC)c1ccccc1 1690442427 SGMGKTLWLYEKII-LEWJYISDSA-N 430.556 4.664 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1CC)c1ccccc1 1690442428 SGMGKTLWLYEKII-NHCUHLMSSA-N 430.556 4.664 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCCc1c[nH]nc1C 1690560532 VWGGQEPXVSFNMF-UHFFFAOYSA-N 429.572 4.664 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@H]1C[C@H]1C 1690567366 ATJCMBRBCNSAJI-PBASOCQRSA-N 437.588 4.822 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](CCC)OC)C1 1690690123 RQUZZLFDJHNJJW-SJORKVTESA-N 439.387 4.848 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1690742641 XBQACPCCZAGAQW-UHFFFAOYSA-N 434.556 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(OC)CCC(C)CC1 1705478678 AQZYEEMFJOCPKC-WCCYLALTSA-N 432.515 4.600 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1705512906 SMEZUJUXUCCAMH-GCJKJVERSA-N 431.565 4.648 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC[C@@H](OCC)C1CCCC1 1705578068 DWDNFROMESJFCR-XMMPIXPASA-N 441.579 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1ccc(C)cc1 1705606129 LPRPYJATBKRWNF-KRWDZBQOSA-N 440.389 4.618 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@H](SC)C1 1705654603 NVBUQVADXZFKES-SFHVURJKSA-N 426.611 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(OC)CCCCC1 1705668457 MLJQAAVJNFFDAV-NTKDMRAZSA-N 440.563 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1ccc(OC(C)(C)C)nc1 1705675581 SZMVPTDSVNUFJH-HHHXNRCGSA-N 443.595 4.790 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705687807 JBUROTWWQYFAKD-QFIPXVFZSA-N 447.421 4.727 30 10 IJEE C=C(Br)Cn1c(N2CC[C@H]3CCN(Cc4ccccc4)[C@H]32)nnc1C(C)(C)C 1705692755 RTKKSVWBVCSCTP-MOPGFXCFSA-N 444.421 4.543 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1705742763 DZXNCYRJXZPKGE-SANMLTNESA-N 431.584 4.619 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N(CC)CC)CC1 1705757927 CUOUTVJQWASHDJ-UHFFFAOYSA-N 432.012 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2ccccn2)CC1 1705778545 ZYOYGVWPYZNYOM-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1705789911 BSPRVNGOOGRICN-OAQYLSRUSA-N 439.510 4.799 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1705840082 ZTHCMURHGROSCX-MRXNPFEDSA-N 433.984 4.866 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1(COC)CCC1)C1CC1 1705850392 RTNQCLAFBAXKMW-UHFFFAOYSA-N 445.405 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1C 1705864912 BJRMYRVQUYFUNC-NQIIRXRSSA-N 433.581 4.743 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCC(C)CC1 1705871112 YDNGJJQNKIKCSL-OAQYLSRUSA-N 445.615 4.634 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)C(C)(C)C1 1705941676 QXEUPIWJACEWAE-QGZVFWFLSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1705942980 KMYLZQDDJKEFEJ-UHFFFAOYSA-N 433.503 4.915 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1706124371 CAPCMWCMCZKPFP-UXHICEINSA-N 443.542 4.894 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)C1 1710933380 AIMFVEXWNQWRLZ-XZOQPEGZSA-N 446.624 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722302317 HKBCMEDCVWRFEB-NJNPRVFISA-N 445.007 4.810 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)Cc1cccs1 1722419847 DBKQYXHHGFUXEU-QGZVFWFLSA-N 428.989 4.625 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1ccc(N(CC)CC)nc1 1722470332 DGUJBVXDPSIEQD-RUZDIDTESA-N 449.002 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCCCCC1 1722502565 TXYORWMFMLSUQJ-YUMYIRISSA-N 430.637 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCC[C@@H]1C 1722517003 JOVCNPZPBJKLCE-FDDCHVKYSA-N 430.618 4.533 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC(CC)CC1 1722529313 QZDQYZHUBAMAIZ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1722533779 ZQZMYDQAOPUJAU-FCHUYYIVSA-N 431.669 4.550 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1722594285 IYUPUFDIJGLPPT-FUPPJEDESA-N 432.616 4.562 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(C)cc(OC)c1 1740538757 JWYNRZONRPNDMI-FUHWJXTLSA-N 434.609 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cccc(C(F)(F)F)n1 1740541585 CKJFGIJMPLYNLF-ZDUSSCGKSA-N 449.864 4.527 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCOC[C@@H]1C 1740632325 HZJCYMNOWUXANN-IRXDYDNUSA-N 438.984 4.559 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@](C)(CC)O1 1740677184 QZOMNOZRWROPRX-NVQXNPDNSA-N 447.558 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)C[C@H](C)c1nccs1 1740764860 ZBLBTYNISXNHSO-QRFRQXIXSA-N 443.642 4.608 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nccc(C(F)F)n1 1740766598 IOHCYBRSDFNYNO-OAHLLOKOSA-N 446.477 4.736 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740778308 VHZGJPVEAJQHRP-OAHLLOKOSA-N 444.004 4.884 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CC=CCC1 1740782509 SKVYKXJMMLUCBT-LJQANCHMSA-N 429.609 4.761 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)C1 1740788946 ZWKCNRVSQWOGBA-AZUAARDMSA-N 430.618 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1740849546 MYTQQQOKOBBHNH-NQIIRXRSSA-N 437.613 4.894 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](SCC)C1 1740851694 BZLKYNIFEKDZRB-UFYCRDLUSA-N 436.666 4.716 30 10 IJEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1743111086 COGOCABGQVUHNP-HNNXBMFYSA-N 427.961 4.675 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)CN1CCCCC1 1748651541 OQBPQNZTMMGNBP-VQTJNVASSA-N 439.673 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1748655479 YZZNGEBSTPPJAV-DWRORGKVSA-N 427.390 4.910 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)c1ccco1 1749029290 QJVUDWIQKLVJCC-OAHLLOKOSA-N 445.386 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@@H](F)C1 1749060207 KXGRTRULIRTCRX-PDSXEYIOSA-N 449.343 4.977 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCn1nc(C)cc1C 1749080714 UBMLFMBGLQJNOQ-RUZDIDTESA-N 448.640 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(F)(F)F)c1 1749155417 FQSKDWWBGIJSFO-SFHVURJKSA-N 438.494 4.564 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1749226917 UZLQLDCOSLCSPS-UHFFFAOYSA-N 442.579 4.828 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1749293188 DZQDPPLPSKVFFS-UHFFFAOYSA-N 435.616 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749355416 IELREIRDINMJMV-UFRUDQCGSA-N 446.542 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749373690 QXTOABILTIDCIU-HSZRJFAPSA-N 449.643 4.647 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1749373803 VCHIETUAXBSWCN-IPMKNSEASA-N 441.645 4.887 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1749381211 DFSVBCLUDXAYRG-AZUAARDMSA-N 435.538 4.834 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1749400455 BQPRCPYKMZTROJ-QGZVFWFLSA-N 442.514 4.579 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1749499389 GIGBIWHLCXAQJX-NZQKXSOJSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1749553631 JPXHVOOERDSBLO-GOSISDBHSA-N 445.633 4.742 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCc1sc(C)nc1C 1749594570 MQLBQBXIEYCRLC-UHFFFAOYSA-N 431.993 4.553 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1C(C)(C)C 1749690125 RIDMLBOEDCGHSK-VWLOTQADSA-N 426.605 4.830 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCCN1CCCC 1760106162 AEFLYLSLJHYUID-UNMCSNQZSA-N 430.600 4.606 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC(=O)NC(C)(C)C 1760146305 JATBSOLWPVOWQE-UHFFFAOYSA-N 444.004 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)CC 1760295324 ROEVOMOCVJVRTR-RUZDIDTESA-N 443.636 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCC(C)CC1 1760298302 CAEJQTOUCNMGNX-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CC)C1 1760316446 RZHHDRXLEYXRLR-YXTQBTIXSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1 1760318173 DSSDUESFDILDTF-WIYYLYMNSA-N 425.964 4.710 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1760354304 VQCQQKYGHRFMNQ-SFTDATJTSA-N 445.007 4.975 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CC2(COC)CCCCC2)CC1 1760393484 RZGLTFOQLTYRCT-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1760411808 DBFMIIZHEDVSHF-UXHICEINSA-N 440.588 4.743 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(Cl)c1 1760416828 OHMXXEWYEQDFLB-ICSRJNTNSA-N 432.996 4.894 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1760417556 FJOFWBKEPXIOEB-QHCPKHFHSA-N 441.583 4.687 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](OC)C1 1760422773 LOAYWHQJOYDPOC-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(C)C)C1 1760446233 LEMKJRDAACOHSP-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)[C@H](C)CC 1760482591 ZHKAXQMRJCZNSP-KOSHJBKYSA-N 439.991 4.983 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1cccc(C)c1 1760483813 CQHHSINZTLINQP-IBGZPJMESA-N 437.613 4.783 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCOc1cccc(F)c1 1760487507 WDOAZHCCGSHQPV-GOSISDBHSA-N 442.560 4.644 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)c1cccs1 1760518593 BSOLYNNNADMQKT-KRWDZBQOSA-N 437.613 4.804 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccsc1 1761520281 DQUYFHOLHSAZTK-INIZCTEOSA-N 425.533 4.797 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)CCOCC1 1762542168 FWMLQSKSUYAWDH-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1)C1CCCC1 1764764424 AHUQZLBOCIBDCB-OYRHEFFESA-N 434.632 4.954 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nccs1 1772738847 WRIDJXKMIFEVLS-CLEIAUBXSA-N 426.479 4.935 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCC 1860729060 UTGNCDOKZAKHFC-WEVVVXLNSA-N 432.860 4.657 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 1862487682 HCEKWFZOIYYGGO-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1)c1cccc(O)c1 1862589193 GOBIYOCEQJSIOD-VPUNUDNGSA-N 429.516 4.939 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(OC)c1 1862727515 GTUQXAWRUFDWTI-XMMPIXPASA-N 441.483 4.832 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1862735452 KZCOJYVIXWLMAG-NRFANRHFSA-N 432.407 4.512 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862736324 IAVCQJCSHWAXRJ-FQEVSTJZSA-N 434.473 4.743 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc4cccnc34)=C(c3ccccc3F)C2=O)cc1 1862926009 QJUMPNNHDYKWTP-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(OC(C)C)cc2)C1=O 1863696941 YXCYYPRRUSUZKH-UHFFFAOYSA-N 444.616 4.929 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(C#N)cc1 1866650350 LSZDDONHBRSTSA-JOCHJYFZSA-N 444.535 4.686 30 10 IJEE CC(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 1866967939 GLTMKDWXMCEWDL-DQEYMECFSA-N 443.522 4.803 30 10 IJEE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1ccccc1C#N 1867178303 DMWLVEVRMSZVIM-JOCHJYFZSA-N 444.535 4.550 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)C(C)(C)NC(=O)c2cccc(Oc3ccccc3)c2)cc1 1867695074 FKTILQCLHGGKQU-HSZRJFAPSA-N 427.504 4.677 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868575887 NBYPTRWYAAFYDM-QHCPKHFHSA-N 434.503 4.732 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870162020 IWXSZYCMAVTEIV-PMACEKPBSA-N 446.942 4.525 30 10 IJEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCCCCC1 1870452807 RIXCZALQQITHNN-UHFFFAOYSA-N 434.621 4.917 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c(OC)c1 1871396562 MKYLYRRJTDAGIF-ZYTDIZHASA-N 437.536 4.812 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871403839 BLDXMGVXIVDHQR-LRSOKBAUSA-N 444.443 4.925 30 10 IJEE C=CCN=c1nc(Nc2ccc(Br)cc2C)[nH]c(N(CCC)CCCC)n1 1871568266 XLDMSRUPXGWUIU-UHFFFAOYSA-N 433.398 4.722 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203284 IKBNRGLDNDLONH-UHFFFAOYSA-N 441.531 4.951 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873243809 PHGBJIRVMKDWBP-CQSZACIVSA-N 447.416 4.929 30 10 IJEE CCOc1cc(/C=N/Nc2oc(-c3cccs3)nc2C#N)cc(Br)c1O 1873462154 QVMDUFXHNXUOED-AWQFTUOYSA-N 433.287 4.588 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2Cc2ccccc2)ccc1OCc1ccc(C)cc1 1873504932 SMAIHTWRCNMXKG-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE CCCCCCCCNC(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1 1873892099 SCMIWGRBYKWCDH-UHFFFAOYSA-N 444.022 4.617 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(F)c1 1874218749 BORCQAPAYBHWAA-AFUMVMLFSA-N 440.544 4.770 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874321413 QBHNLTUPZBICJJ-ZVHZXABRSA-N 438.553 4.629 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1OC 1874458411 LFBHGLQMYNJPEH-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(F)cc2F)cc1C 1874517872 OXIGKQNPIGCFHO-OPEKNORGSA-N 441.507 4.664 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1cccc(Cl)c1 1874518161 FPSFWBHLGKZPLQ-FSJBWODESA-N 425.945 4.730 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2Cc2ccccc2)ccc1OCc1ccccc1F 1874558842 BBAVYRHPZQCLJE-CVKSISIWSA-N 448.523 4.767 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NC3CCCCC3)c2)cc1C 1874593474 LPJHLVZJNHKCDL-FMIVXFBMSA-N 437.536 4.736 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)cc1Cl 1874636258 ROCSYEAZLRLSTF-QPJJXVBHSA-N 447.871 4.731 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCCO)c(Br)c2)c2ccccc12 1874638823 ULFXEFNQPLXMCZ-RMKNXTFCSA-N 427.294 4.878 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 1875114155 MDDWJZHRDVTSJV-UUILKARUSA-N 435.407 4.787 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 1875163995 NKYQIWCXFCPJTO-QPJJXVBHSA-N 425.225 4.947 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889403353 BPBMTYYLUWQTKL-GFCCVEGCSA-N 436.331 4.659 30 10 IJEE N#Cc1ncccc1[C@H](CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952224188 IHYNUPQIGVBVFQ-QHCPKHFHSA-N 441.487 4.788 30 10 IJEE N#Cc1ccc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 1952235513 FHZVYJPSEJUPQV-DEOSSOPVSA-N 441.487 4.788 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cccc(Br)c1Br 1992885034 KFEHYNVPWMRLFY-KGLIPLIRSA-N 448.199 4.551 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2 2020324615 VONZLGJNMZMBNI-UHFFFAOYSA-N 437.625 4.617 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Cl)c(Br)c1F 2036362745 OEPRMVKZYSGQBF-ZDUSSCGKSA-N 434.737 4.605 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048640857 RWQUEYSYGAERTM-IAGOWNOFSA-N 429.786 4.587 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCC 2063099440 YNTVESZZKARNEN-KGLIPLIRSA-N 435.765 4.842 30 10 IJEE C#CCC[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(Br)c2ccsc12 2078077714 FVHMZDNWDRITKV-GFCCVEGCSA-N 425.348 4.744 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(C#N)c2)C(F)(F)CC1 2106011650 UGJUNMJEKQWFMK-OAHLLOKOSA-N 430.293 4.767 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC 2110508466 BVMIFLDRHQKGMY-HUUCEWRRSA-N 447.776 4.679 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CC(CNc2cc(Br)c(C#N)cc2F)C1 2111959973 UTAKTFQLUPUOCF-UHFFFAOYSA-N 430.293 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2cccc(CC#N)c2)C1 2124696581 IAWGVGWSFITRIF-AREMUKBSSA-N 449.551 4.535 30 10 IJEE N#C[C@H](C(=O)c1cccc(I)c1)c1ccc(Br)cc1F 2146604586 QVHCISFLYGYCTE-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)c(C#N)cc1F 2174767722 MVSHHWXLHMKOQM-VNHYZAJKSA-N 440.357 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(c3ccc(C#N)cc3Br)C2)C1 2174813246 UATKSYHQXVCACG-MRXNPFEDSA-N 434.378 4.794 30 10 IJEE C#CC[C@@H](C[C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196730941 CDEYUJBKTKZNFH-SXLOBPIMSA-N 436.390 4.685 30 10 IJEE CCC1CCC(CNC(=O)OC(C)(C)C)(Oc2cc(Br)cnc2C#N)CC1 2198816436 XAQNQYOBKLAKKR-UHFFFAOYSA-N 438.366 4.958 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)CC(C)C 2210263896 BRNUIKRIUCCTHJ-CLOONOSVSA-N 447.579 4.948 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2ccccc2Br)cs1 2227478608 VOQSUEKOLGTWNR-GFCCVEGCSA-N 435.343 4.726 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2ccccc2Br)CCC2(CC2)CC1 2235738915 DMGDQLOWBPFSOA-GOSISDBHSA-N 434.374 4.779 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2ccccc2Br)c2ccccc21 2235740568 PORBFEOXHAERQT-YLJYHZDGSA-N 428.326 4.700 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)c1 2256024497 WDTMRZUMCAWTID-UHFFFAOYSA-N 425.338 4.659 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2cccc(Br)c2)cs1 2278729593 FFLXRAPRWWSYSD-BLLLJJGKSA-N 437.359 4.576 30 10 IJEE C=CCCC1([C@@H](NCC)c2nc(CC)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2281037287 HVJHZVXCCGQLJY-INIZCTEOSA-N 441.414 4.589 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1[C@H](N)C#Cc1ccc(Br)cc1 2296278181 AYDFIHKINUWGNR-RNQOJCNYSA-N 433.390 4.696 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2296306022 AYDFIHKINUWGNR-LEAZDLGRSA-N 433.390 4.696 30 10 IJEE Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1F 2296957059 CSXYCHSCZYMJPA-UHFFFAOYSA-N 446.500 4.821 30 10 IJEE COc1c2c(cc3c1[C@H](CC(=O)C=C[C@H]1C(C)=CCCC1(C)C)[N+](C)(C)CC3)OCO2 2297748543 NLHLDHDELFUZNZ-SFTDATJTSA-N 426.577 4.995 30 10 IJEE Cc1cc(CSC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2320590632 NQZCEKOZHLMZOA-LJQANCHMSA-N 447.450 4.784 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc1 2320889497 SGYQHOUMCWHIBW-UHFFFAOYSA-N 426.929 4.770 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nncn1N=Cc1ccc(Cl)c(Cl)c1 2321276003 ZUMJEXVNYVUFIT-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1OCc1ccc(Cl)cc1 2321884144 ZWDHFBRRQHKWHL-SFHVURJKSA-N 444.944 4.542 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2322748988 PAJYJBABFXGCOC-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3C2=O)c1 2322799948 VOKFZWBCOOXDAA-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCc1nc(O)c2ccccc2n1 2323099465 DRRDDCQSLIASIH-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c1OC 2323222818 VDXMMDCERSOPSB-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 2323629667 FAQOFJRYFLWJIN-UHFFFAOYSA-N 434.404 4.987 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)cc(C)c3C2=O)cc1 2323724282 VDIBNGLDVNUIBB-UHFFFAOYSA-N 442.467 4.936 30 10 IJEE COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O 2324426187 FMRJXWRXXXMWGB-CYBMUJFWSA-N 439.851 4.964 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccncc1 2325820924 WOUGTICAOLTODD-UHFFFAOYSA-N 437.569 4.719 30 10 IJEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326323646 OJSQEBYSHQSCBV-UHFFFAOYSA-N 425.514 4.672 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccco2)c1 2328453903 ZERAISXNLDKXDB-UHFFFAOYSA-N 433.493 4.853 30 10 IJEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccnc2)cc1 2329302211 LLWHXOINYMIEDT-UHFFFAOYSA-N 429.549 4.873 30 10 IJEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330147748 LKNVFFJBFKYWFR-KRWDZBQOSA-N 447.564 4.839 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccc(C(C)C)cc1 2330390233 DJGOKLJTEADCPN-RUZDIDTESA-N 434.555 4.890 30 10 IJEE COCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Br)cc1 2331236750 ASKLMZJZOMDKSX-UHFFFAOYSA-N 445.386 4.712 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(F)cc1 2331392351 UUGMICPJQJQYEO-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(N(C)C)cc1 2331445090 FNEHNDKXTOYVOH-UHFFFAOYSA-N 438.557 4.625 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c2)cc1Cl 2331821129 QTRHQPGBLDNMQP-UHFFFAOYSA-N 429.734 4.621 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342482486 NCQZVBZTIJXZRX-QHCPKHFHSA-N 448.344 4.871 30 10 IJEE CN[C@H](C#C[C@H]1CC1(C)C)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2365093811 QGYYZADJKLSFGS-UHOSZYNNSA-N 435.406 4.522 30 10 IJEE Cc1cc(CNCC2(C)CCN(Cc3ccccc3)CC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679852 IJMFHYHMGFKOQX-UHFFFAOYSA-N 448.460 4.686 30 10 IJEE Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3C)c3ccccc32)c1 3041539 GKVDYYYJDOFMKC-VYIQYICTSA-N 428.561 4.849 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c1)C2=O 8823801 CCPWKPOWLJRVJY-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE O=C(/C(=C(\S)Nc1ccccc1F)[n+]1cccc(O)c1)c1cccc(Br)c1 11169630 UJJUNSZHDNWROU-UHFFFAOYSA-O 446.321 4.632 30 10 IJEE Cc1ccc(C)c(NC(=S)/N=C(\NCCc2cccs2)Nc2nc(C)cc(C)n2)c1 14158963 FRMCMKJMHINDCF-UHFFFAOYSA-N 438.626 4.769 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 33768195 KHMYYZLBHURGOM-RBNQUJQMSA-N 440.455 4.773 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cc(OC)cc(OC)c4)c3C)C2=O)c1 41292721 NMPYRJBUIIJKRF-KSEXSDGBSA-N 446.455 4.856 30 10 IJEE N#Cc1cccc(NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 59263653 OYLKMXQUDYAOOX-UHFFFAOYSA-N 439.544 4.655 30 10 IJEE C=CCn1c(SCCC(=O)NCc2ccccc2OC)nnc1-c1ccc(Cl)cc1 59794993 ZJRMCUKCEXCUKO-UHFFFAOYSA-N 442.972 4.592 30 10 IJEE C=CCc1cc(/C=C2\C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)cc(OC)c1O 102464861 DQBXOYYHHPQDEH-ZMXGXFJXSA-N 435.480 4.573 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169921894 DXENLKQJLQHPSQ-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCCCCCOc1c(OC)cc([C@H]2NC(=S)N(CC)C(C)=C2C(C)=O)cc1[N+](=O)[O-] 169933458 IWZDLXREUREMOP-HXUWFJFHSA-N 449.573 4.677 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(O)cc2)c(C)c1 169963143 MODWDJIOMSNQHK-XMMPIXPASA-N 441.483 4.727 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccn1)c1ccc(F)cc1 169999038 FMXDNVQQEJFWKO-IBGZPJMESA-N 431.448 4.613 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 170016046 UKTPFSJSVRNNRY-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)cc1C 170048047 ODCVTOWGWPMTKP-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2)c1 170055022 LQEGGNCUJFEQFN-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)C)cc1 170066100 BRAHOJRGBALSFU-JOCHJYFZSA-N 425.500 4.952 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccc(C)o2)c1 170103653 WEFIAEVNOKIWKW-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1sccc1C 170107287 VCASZNQAGOAQRM-HXUWFJFHSA-N 426.582 4.593 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)c(C)c1 170190265 GBLPIYXBZBZMRD-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccncc2)c1 170197699 GDQQWAUMLOWBKK-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OCC)cc1 170214353 BGGYXLYRSHHHGI-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccc2)s1 170229324 TVHZVYLQJCFHBP-GOSISDBHSA-N 426.444 4.821 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 170233334 PJLRTXSCJBJOOC-DEOSSOPVSA-N 428.532 4.760 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(F)cc1 170243065 PBHJDYWCDLBQLL-QFIPXVFZSA-N 438.543 4.572 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)c(Cl)c1 170246611 HXFCOJDRGNBAQN-GOSISDBHSA-N 434.275 4.710 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170254496 ZCZBAJDLNUSRPQ-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2)cc1 170265450 ZXZHUYUHKUPLPZ-JOCHJYFZSA-N 428.444 4.940 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1ccncc1 170317327 LNLZOUYSUAEZHR-VFNWGFHPSA-N 446.528 4.553 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(F)ccc2F)ccc1OC 170441858 PCLUEWNHPODKRH-JOCHJYFZSA-N 445.462 4.887 30 10 IJEE CCCc1ccc(-c2ccc(NC(=O)C(=O)N(CCC#N)Cc3ccccn3)cc2)cc1 439600326 YSCRFAYHIIJVCK-UHFFFAOYSA-N 426.520 4.582 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(Cc1csc(Br)c1)C1CC1 460560186 NVCYWZXSRUSTGV-UHFFFAOYSA-N 444.402 4.833 30 10 IJEE C=CCn1c(SCc2noc(-c3scnc3C)n2)nnc1-c1ccc(Cl)cc1 471213457 UJAKRTSUFFDJFZ-UHFFFAOYSA-N 430.946 4.892 30 10 IJEE COC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 504808386 GMZMLOLHVDAHTM-FQJHJXCSSA-N 434.495 4.620 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)Cc1nc(C(C)(C)C)cs1 506932425 RXOBGPQHXWMWDK-UHFFFAOYSA-N 436.990 4.512 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 508955139 CYRMNXPCFBFIDK-OAHLLOKOSA-N 434.993 4.578 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(Cn2cc(C)cn2)CC1 508995686 CTUFSPZBXTWSPV-UHFFFAOYSA-N 431.371 4.859 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](c2cccs2)C1 509001466 WPWSMURMTPXSJE-FQEVSTJZSA-N 440.569 4.566 30 10 IJEE CCOc1cc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526488049 CWYNDKDXZMPAHZ-QHCPKHFHSA-N 430.435 4.859 30 10 IJEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 526744093 JGDRNOCFEGCFAP-JOCHJYFZSA-N 449.409 4.673 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 580905567 SYGAHBXZWWVUMK-FQEVSTJZSA-N 430.911 4.603 30 10 IJEE N#CCCCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1 586207685 JGCDQAXCDDXVFR-UHFFFAOYSA-N 447.276 4.967 30 10 IJEE C=CCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586258235 JLBVTQYMYKFZRD-UHFFFAOYSA-N 425.934 4.527 30 10 IJEE C=CCOCCNC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 679516978 VBMXXTWWJVLUNR-UHFFFAOYSA-N 439.364 4.657 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1C 742212386 NKKWGIJOVIOLOQ-QFIPXVFZSA-N 447.560 4.571 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ncc(Br)cc1F 777428847 DTPSJYIBJDXHEX-UHFFFAOYSA-N 428.187 4.781 30 10 IJEE C[C@@H](NC(=O)NCc1ccc(N2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 783019886 FUMPYBMLBXFZCP-GOSISDBHSA-N 440.503 4.742 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cccnc1OCc1ccccc1F 791751043 AMAFJPTZUPERMU-UHFFFAOYSA-N 426.831 4.712 30 10 IJEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797570324 FVJBRWDGVKQVAI-IBGZPJMESA-N 438.597 4.581 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 806273358 VZOMIOXTSXFDNR-DEOSSOPVSA-N 446.572 4.558 30 10 IJEE C/N=C1\S/C(=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C(=O)N1C 1084288761 VMBQRJGRCBVVHK-ZGDVVGQPSA-N 432.332 4.976 30 10 IJEE COc1cc(C=NO)cc(I)c1OCc1cccc2ccccc12 1084289321 BHTOLNYAIVDNEJ-UHFFFAOYSA-N 433.245 4.840 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C(F)(F)c2ccccc2C)c(C(=O)OCC)c1C 1124822241 ZESAEMFBTYARDY-UHFFFAOYSA-N 437.464 4.615 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1126327017 HXDWNAIOASLBEJ-BTCOZLQPSA-N 436.980 4.878 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1 1127967734 QGAIZBBCMNLOGU-UHFFFAOYSA-N 426.472 4.591 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 1130804441 SWDAOIHNLKVLIE-YOEHRIQHSA-N 449.473 4.872 30 10 IJEE C#CCN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)[C@@H]1CCCc2ccccc21 1134311236 PFCMNHCYFVYTBY-AREMUKBSSA-N 443.568 4.814 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@H](Oc1ccccc1Br)c1ccccc1 1139865310 DLQLDAFFUCROQF-OAQYLSRUSA-N 431.374 4.536 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(Cc2ccc(Cl)cc2)CCC1 1141556393 VQCOUIZBUMCGNS-KRWDZBQOSA-N 427.372 4.957 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)c1ccc(Br)cc1 1159634888 SVALZBOZBKUGFX-CQSZACIVSA-N 428.252 4.524 30 10 IJEE C=CCn1c(SCC[C@@H](O)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1187947519 BGMNJGPEQYBLOA-CRAIPNDOSA-N 426.607 4.985 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)CCCC1(C)C 1189784557 HCEDOHGLQMKQGE-QGZVFWFLSA-N 436.401 4.774 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ccncc2)C[C@H]1C 1198877408 DFHTUJKWQFUQNT-LJQANCHMSA-N 427.508 4.797 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)c1ccncc1 1222021636 MGLMYFFHBUFLSL-JBACZVJFSA-N 444.373 4.617 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1234554603 BXDJOPNPQNPLGA-UEXGIBASSA-N 448.897 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@@H](OCC)C1CCCC1 1286281458 GWYORQZIMKAAED-YADARESESA-N 431.584 4.937 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC=C(Br)C1 1286317226 DPUIZIAKEYVUGV-UHFFFAOYSA-N 436.357 4.786 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCC(F)(F)F)CC1CC1 1286325304 XGRVGRSYJXDUNU-FQEVSTJZSA-N 448.489 4.763 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1286339573 OOFQPRNUYGNZAO-HZPDHXFCSA-N 433.419 4.760 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2ccnn2C)CC1 1286344070 YRJIRWRNYIWALJ-NRFANRHFSA-N 446.599 4.566 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](C)N(C)C)CC1 1286638351 ZANRVIFQDGCERF-RTBURBONSA-N 432.012 4.795 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)C)CC1 1286672319 LMIFACRCZUQXIF-JOCHJYFZSA-N 440.588 4.787 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1286685422 ULYGDXQZWAZWGK-UHFFFAOYSA-N 433.556 4.753 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(C)C 1286769088 MTMGQJYBVUEHIM-IBGZPJMESA-N 449.640 4.671 30 10 IJEE Cc1ccc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@@](F)(C#N)C2)s1 1289661021 BCLSMVRPUOISSN-QVKFZJNVSA-N 445.951 4.932 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccc(C)cc4)nc3)n[nH]2)c1C 1291612110 KDUPQGVGXXCULK-UHFFFAOYSA-N 428.496 4.824 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCNc1ncccc1C(F)(F)F 1291686120 PEWUXFXQDDXRPK-UHFFFAOYSA-N 433.352 4.526 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccncc2)cc1 1293114602 BWEHRTKQWXKWGA-IBGZPJMESA-N 431.920 4.635 30 10 IJEE CCCc1c(NC(=O)c2ccc(OC(C)C)c(C(C)=O)c2)cnn1-c1cccc(C#N)c1 1296631057 BXCRBGTZXNYGBM-UHFFFAOYSA-N 430.508 4.939 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 1298041958 VCLMPKBOXMDYPW-QGZVFWFLSA-N 434.399 4.617 30 10 IJEE C#C[C@H](NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)c1ccc(Cl)cc1 1298924183 BKWKRYAHXCJSKV-PBHGZRDXSA-N 449.016 4.700 30 10 IJEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1300432127 COIJFTUUCKCSIE-WMZOPIPTSA-N 433.478 4.510 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(OC)C1CC1 1300521257 NGVDJUWDZVGSTE-RUZDIDTESA-N 448.567 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nc(C(C)C)cs1 1300556199 FALBDGMFTPFVNV-UHFFFAOYSA-N 443.620 4.839 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC=C(C(C)(C)C)CC1 1300745839 MXIGVCDBMJJLOQ-UHFFFAOYSA-N 440.613 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(F)(F)F 1300876709 SBQUXGXFHAZXJF-GUYCJALGSA-N 444.885 4.587 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(CCc2ccc(F)cc2)C2CC2)nnc1C(C)(C)C 1300898455 XPXSGKOWEYEYLZ-SIKLNZKXSA-N 426.580 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1300907382 HQBRAHVMLOJUCN-UHFFFAOYSA-N 441.583 4.652 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@](C)(C#N)C1 1300960957 VRGHJFYULVBMID-HSZRJFAPSA-N 427.980 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCCC2)C1 1301023136 CHADGDUCGZDEQN-UHFFFAOYSA-N 443.798 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1301160220 NZEOOUZWPCETEY-VXKWHMMOSA-N 439.648 4.995 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1301207710 FNBPFTBFWZCGCX-QFIPXVFZSA-N 445.405 4.989 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)nc1 1301346739 JMTIMOLVVGYMPR-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1301350283 VCLCJEIEDDGOEE-NLFFAJNJSA-N 442.579 4.636 30 10 IJEE C=CC[C@H]1N(CC(=O)Nc2ccc(I)cc2C)CCCC1(C)C 1307729663 NQJLFKLPKRWDMY-QGZVFWFLSA-N 426.342 4.605 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 1310571537 BDYYJAVAZGYPJY-NRFANRHFSA-N 441.572 4.588 30 10 IJEE C#C[C@H](CCC)NC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1311450610 DDLUUIWCTXGMKZ-TZIWHRDSSA-N 427.639 4.671 30 10 IJEE N#C[C@H]1CN(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)CCN1Cc1ccccc1 1311632224 HFPFJONOLZHDNH-RRPNLBNLSA-N 438.575 4.780 30 10 IJEE C#CCN(C(=O)NCc1csc(C)c1C)[C@H]1CCOc2ccc(Br)cc21 1313136651 OCWLNKBWVQRHEV-SFHVURJKSA-N 433.371 4.796 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CC(F)(F)C(F)F)c1ccc2c(c1)OCO2 1347908214 BKSCUVAOOJTJAR-UHFFFAOYSA-N 425.378 4.804 30 10 IJEE C=CCN(C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352764215 RCGMETRBZLFEIJ-DLBZAZTESA-N 443.525 4.605 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nnc(C)s1 1358875148 JVBWLOIRSITFGS-GFCCVEGCSA-N 443.001 4.674 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OC(C)C)CC1 1358906742 RJEODXYRQJVXRS-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1358987008 ORIHZXMOBBOMKM-RBBKRZOGSA-N 439.003 4.903 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1359014486 KVKNSWFRYJFKMV-ROUUACIJSA-N 433.021 4.889 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nnc(C(C)(C)C)s1 1359115390 XAJMNDCXPRQTFC-UHFFFAOYSA-N 449.628 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1359187855 ZJZLFWRPBVRXMX-IYBDPMFKSA-N 438.601 4.526 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CO)CC1 1359198898 FAOBQMWQJJIPTJ-UHFFFAOYSA-N 433.394 4.581 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1CC1(N2CCSCC2)CCCCC1 1359241869 GOONMHJPJYRLBM-UHFFFAOYSA-N 439.673 4.551 30 10 IJEE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H](C)C#N 1359337545 VDFJSTOHCFFQFQ-SFHVURJKSA-N 434.613 4.868 30 10 IJEE COc1cc(C#N)ccc1C(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1435794990 GDDQDARVOLYVJB-JOCHJYFZSA-N 445.519 4.716 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 1436646193 ZJSAUSOJYUDUOC-LEWJYISDSA-N 428.548 4.824 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCCCC1 1440678791 CLHXAAKEQOLESC-QFIPXVFZSA-N 429.605 4.538 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Nc2ccccc2Cl)CC1 1442975021 JJSDWNBKDYISJU-GOSISDBHSA-N 442.387 4.779 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)c2c1 1459145967 BSUSPDBIKJNWPN-QHCPKHFHSA-N 447.491 4.600 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1cc(Br)ccc1F 1461114589 ZNZXPHZDBKVQRE-UHFFFAOYSA-N 441.138 4.695 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(C)c(NC(=O)CN2CCCCC2)c1 1461327901 JMGMYGFSXGOAPE-UHFFFAOYSA-N 425.960 4.697 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(F)c(SC(C)(C)C)c(F)c2)c1 1468227101 QVUUIAIYQGZLJY-UHFFFAOYSA-N 437.533 4.905 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)c1ccc(Br)cc1 1469270804 HRIJJENDHGQUCP-IIBYNOLFSA-N 426.358 4.784 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 1472976059 QLRGYANTBHXEEF-IBGZPJMESA-N 442.947 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)Sc1ccc(Br)cc1 1478010438 KVJHAMURRFJADY-PBHICJAKSA-N 427.408 4.600 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1)c1ccccc1 1478257348 LHPHVAANWXBHFX-VWNXMTODSA-N 449.595 4.632 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1)c1ccccc1 1479189554 OOWUKEIPWQLJFM-RCZVLFRGSA-N 449.595 4.714 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCC)CCC2)CC1 1499898181 CDMRFERURAUJSU-UHFFFAOYSA-N 448.615 4.672 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(Cl)c1 1507803578 HSWXNYISYREJCT-REWPJTCUSA-N 437.975 4.535 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1507913868 FCQFIXBBHHVQMV-YRNRMSPPSA-N 445.435 4.625 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1507946328 NJLBTGKVVWPIKA-HJPURHCSSA-N 443.979 4.668 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)OC1CCCC1 1507958026 NTGOIYOOUKPMHX-UHFFFAOYSA-N 435.366 4.611 30 10 IJEE C=CCCOCCn1c(N2CCS[C@@H](C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1507965729 IQPNKZGEAPPFEG-PMACEKPBSA-N 426.630 4.671 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cc(Br)cs1 1507978110 FTZIWELIZFQUQM-UHFFFAOYSA-N 428.359 4.921 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CCC1)CC1CC1 1508061383 OSWQXXBTDKKXRP-HXUWFJFHSA-N 429.609 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@](C)(OC)C2CC2)C1 1508119716 XLYMWBBDXXMQSW-ATIYNZHBSA-N 438.616 4.839 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2ccc(F)cc2)C1 1508128855 CRGWBSRKFLWVLT-QFIPXVFZSA-N 426.580 4.909 30 10 IJEE C=CCSCCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 1515135646 UJXZIZWDBBCMAK-LADGPHEKSA-N 438.593 4.523 30 10 IJEE C=CCSCCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 1515135649 UJXZIZWDBBCMAK-UPVQGACJSA-N 438.593 4.523 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 1519837246 UTTHPRNCUQJLIY-JOCHJYFZSA-N 427.386 4.843 30 10 IJEE CCOC(=O)c1c(CC(C)C)csc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1525146722 DHGBQLLKFHHQBW-MRXNPFEDSA-N 443.544 4.599 30 10 IJEE C=CCC1(CNC(=O)[C@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)CCCC1 1525845778 UMLXHGDLNRJVTE-LJQANCHMSA-N 444.572 4.623 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 1526403077 DWACAKRPXMPFOO-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C1CCCCC1)C1CCC1 1529689533 CHWJIGMMVGOBQG-OAQYLSRUSA-N 449.389 4.963 30 10 IJEE C#CCN(C(=O)c1cccc(-n2cccc2)c1)[C@H]1CCOc2ccc(Br)cc21 1531552081 ABJWISZCSOCHFQ-NRFANRHFSA-N 435.321 4.839 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1531552257 BJNZQLXESCCBBB-UZLBHIALSA-N 428.326 4.510 30 10 IJEE CC[C@@](C)(C#N)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1533142089 AYIRLSFSXDVKQV-VWLOTQADSA-N 431.536 4.643 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(Cl)=C(Cl)C1 1539078930 IYHCIDQXESCYJM-UHFFFAOYSA-N 428.367 4.984 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1=CCCCC1 1539272802 BTJUYJPAARVSRX-UHFFFAOYSA-N 436.987 4.825 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC(C)C)nc1 1539350257 FUWQOVUYLTWCCP-SFHVURJKSA-N 449.624 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC=CCC1 1539643644 XFAZFOKLYJPTHD-UWJYYQICSA-N 431.005 4.971 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN(C)C1CCCC1 1539651447 GMEIEWMZJRDNRC-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1539707909 QPASVNAKQIVTMB-MRXNPFEDSA-N 438.373 4.726 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1539722978 MHKPIYWZYPNCOP-GMAHTHKFSA-N 436.556 4.686 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccccc2C)C1 1539926744 UDQLWCBPFXQTKE-QHCPKHFHSA-N 448.615 4.628 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 1539948013 NTNBGSYFZVSJDO-PBEJRMEISA-N 425.577 4.788 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)C)n1C[C@H]1CCCn2cc(C)nc21 1540180287 MDMFLMKNUKTHGW-HSZRJFAPSA-N 432.616 4.794 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1C[C@H]1CCSC1(C)C 1540187412 POWUGRXOKWZVJJ-HXUWFJFHSA-N 437.613 4.624 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1=CCCOC1 1540189047 HGRYCEVBNRCKFC-UHFFFAOYSA-N 444.988 4.799 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC=CO1 1541972799 BRJJDIISGYMHGK-DYESRHJHSA-N 441.963 4.894 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc2[nH]cc(I)c2c1 1542228935 ADFDPSQWMCDVJQ-UHFFFAOYSA-N 434.252 4.740 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3OCC)n[nH]2)c1C 1542264357 BLEDHZCSWRDKME-UHFFFAOYSA-N 433.434 4.746 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)s1 1542833663 DBTYTWNJMFLMLB-CHWSQXEVSA-N 432.956 4.902 30 10 IJEE C#CCOc1ccccc1CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1543729420 VQTVBTFYIYBNKE-IBGZPJMESA-N 434.536 4.634 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2ccccc2Cl)CC1 1543956432 RFYFVZVCTTXXGK-UHFFFAOYSA-N 438.877 4.882 30 10 IJEE CCCN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC2CCCC2)nc1 1547108232 GXUUDEPIGNISPK-UHFFFAOYSA-N 430.556 4.818 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N\N=C/c3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 1554646188 PHMNNETYGPUWHH-DOSRWIIRSA-N 446.532 4.558 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1Cc1nc(C)cs1 1554767885 GTZQBCLCTLIMSG-UHFFFAOYSA-N 442.976 4.550 30 10 IJEE COc1cc2c(cc1Cl)CN(C(=O)c1ccc(OCc3ccccc3C#N)cc1)CC2 1556813187 HCMVOIUQGKIRSX-UHFFFAOYSA-N 432.907 4.998 30 10 IJEE C#CCN(CC(=O)Nc1cccc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1559544706 DYUAMJHQFIYSMD-SFHVURJKSA-N 433.733 4.500 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 1562385072 WZVKOOQRTFWEMT-QGZVFWFLSA-N 429.442 4.513 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 1562943065 MNFIXHNEPZZUEE-UHFFFAOYSA-N 432.427 4.804 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)cc(OC)c1OC 1563815082 UPDLXCSHOPSUFJ-HXUWFJFHSA-N 443.632 4.618 30 10 IJEE C=C(C)[C@@H](NC(=O)N(C[C@@H](O)COc1cccc(C)c1)C(C)C)c1ccc(F)c(F)c1 1564596233 ATCRFQJKARBXKZ-AUSIDOKSSA-N 432.511 4.750 30 10 IJEE C#CCOc1ccc(CNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)cc1 1583105412 KMZNWSFHDSMJEL-UHFFFAOYSA-N 426.488 4.694 30 10 IJEE Cc1ccccc1Sc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 1585916367 BRGDRRCDSIDPCG-QHCPKHFHSA-N 427.573 4.996 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 1587045004 ZRMUYQZJZUKDSQ-JOCHJYFZSA-N 431.536 4.539 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1587645461 JEQIPSWUQNEPMT-ZOBUZTSGSA-N 440.460 4.974 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1587746058 IBSGMEKDRAJNDE-VWNXMTODSA-N 442.611 4.633 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1c(C)nn(C)c1C 1587823769 YCDZTCZGPAEPHL-MRXNPFEDSA-N 436.629 4.532 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)c1ncc(C)s1 1588020148 GRICKEGNYSZEID-AWEZNQCLSA-N 432.018 4.862 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1589006757 IDCNGPWLQHJDJA-NHCUHLMSSA-N 438.597 4.698 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1589608058 BCIQBUNZNOFNQE-OALUTQOASA-N 446.039 4.889 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC(C)(C)[C@H]1C)c1ccccc1 1594552983 VFDAEJJTZSHWMT-FYYLOGMGSA-N 448.615 4.503 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CC(C)(C)N1CCC[C@@H](C)C1 1595009462 GWCQBKWNYADDCV-LJQANCHMSA-N 443.661 4.712 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1595044250 QBUMKMBXEVKCNS-IBGZPJMESA-N 437.588 4.747 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCc1ccsc1 1595101091 XODNHJSQZLEHKY-UHFFFAOYSA-N 440.576 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCOC[C@@H]1C 1595149457 ONVUZHOMANEWOF-RBUKOAKNSA-N 438.597 4.880 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1scnc1C 1595860919 YHUFKRKLUGXFKE-UHFFFAOYSA-N 436.610 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(C#N)ccc1F)c1ccc(Br)cc1 1596936186 GEQDHIXCBCFYIX-KRWDZBQOSA-N 448.292 4.664 30 10 IJEE C#C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccc(Cl)cc1 1596953520 FOENHBNPRHBQBM-UXHICEINSA-N 437.754 4.511 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CCN2CCCCC2)cc1 1597031227 IZIZOKMWOXOQEH-QFIPXVFZSA-N 429.605 4.903 30 10 IJEE C=CCC(CC=C)C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1598011384 FRXAZSZQHIRSDK-UHFFFAOYSA-N 440.584 4.946 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1611365733 ADUMPGWFBYWBCO-QVKFZJNVSA-N 429.952 4.981 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)COc2ccc(-c3ccc(Br)cc3)cc2)c1 1613190684 ZRAGGGMKOPHIES-UHFFFAOYSA-N 449.304 4.825 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 1621631305 QJJSLTZKPZHLOQ-SFHVURJKSA-N 425.356 4.992 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccccc1CCC 1621740663 UKGYLHBVFZIDEB-UHFFFAOYSA-N 426.351 4.918 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(OC2CC2)cc1 1621740703 WCOCPFOOXRAQMD-UHFFFAOYSA-N 440.334 4.506 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(C)(C)c2ccc(Br)cc21 1622061788 CCRVKNMPBSHLLS-UHFFFAOYSA-N 437.334 4.645 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H](C)c3cccc(C(F)(F)F)c3)n[nH]2)c1C 1624297415 JFGVBABJYUXXGN-CQSZACIVSA-N 431.462 4.928 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 1624875708 FKMZMLMEPZLBEE-FQEVSTJZSA-N 426.561 4.642 30 10 IJEE Cc1ccc(F)c(-n2cc(O)c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)n2)c1 1627604125 AFAHQOSPDPXUPN-UHFFFAOYSA-N 428.423 4.942 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(c3cccc(F)c3)CCCCC2)CCCN1C(=O)OC(C)(C)C 1630976716 BJURHKXFUQFVOF-SANMLTNESA-N 442.575 4.937 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)no1)C(C)C 1632734440 IWCIFDRDIVBGRU-IBGZPJMESA-N 432.362 4.533 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)C1CCN(C)CC1 1632901281 JFCSACXVNZNZKN-OAHLLOKOSA-N 431.005 4.572 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)N(Cc2ccccc2)c2ccccc21 1634318761 JEQDMXYPCQKHLC-RBBKRZOGSA-N 447.579 4.735 30 10 IJEE C=CCn1c(SCC(=O)N(CC(C)(C)C)OC)nnc1-c1ccc(Cl)cc1Cl 1634935617 MJOQNFPVXOOMLE-UHFFFAOYSA-N 443.400 4.966 30 10 IJEE N#Cc1cc(Br)cnc1Nc1ccc(CCn2cc(Br)cn2)cc1 1639492411 CBLJTGALKXJONA-UHFFFAOYSA-N 447.134 4.661 30 10 IJEE C#Cc1ccc(NC(=O)CCN(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1 1641704574 HYVKNVJGYDSSSA-UHFFFAOYSA-N 428.532 4.716 30 10 IJEE C[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCC(F)(F)F)cc1 1642547715 APNDOOYPPAMCQX-CYBMUJFWSA-N 425.838 4.832 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cc(F)cc(CNC(=O)C(F)(F)F)c2)cc1OC 1651402498 LWSQMJISRBNZCT-UHFFFAOYSA-N 446.828 4.843 30 10 IJEE C#CCOCCNC(=O)Nc1ccc(Oc2ccc(C)cc2Br)c(Cl)c1 1659150710 IMDJYBFVNVPQCN-UHFFFAOYSA-N 437.721 4.975 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(c2ccc(C#N)cc2)CC1 1660381401 FBEAGQUPUYLYSF-QGZVFWFLSA-N 432.593 4.967 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 1660547581 KAPACSWVPKQJPF-YLJYHZDGSA-N 431.581 4.712 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1C(F)(F)F 1661056211 DEZHGWLJTRQOQV-KRWDZBQOSA-N 446.397 4.534 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 1661304863 CAGOHDVZUSWNHR-UHFFFAOYSA-N 426.519 4.596 30 10 IJEE Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)cc(C#N)c1 1663064953 FOXSDHBRNAWCIO-INIZCTEOSA-N 447.276 4.601 30 10 IJEE COC1(C(F)(F)F)CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 1671797521 CTKBHHOGXGMLQS-UHFFFAOYSA-N 449.477 4.617 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1 1675610921 YNFMGWMFOZWMBR-SFTDATJTSA-N 445.485 4.986 30 10 IJEE C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1675730665 BAXDWAZNYALILC-FQEVSTJZSA-N 448.611 4.587 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCCNC(=O)c1ccc(Br)cc1 1676881343 UFHNAFGGDXMUDS-UHFFFAOYSA-N 430.346 4.509 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(OCCCOC)CC1)c1ccc(C(F)(F)F)cc1 1679304779 JQUDLLSBRGMKPY-FQEVSTJZSA-N 428.495 4.940 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1681036708 LYKRSNDVMBGRRW-FCEUIQTBSA-N 427.589 4.955 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](c1ccc(OC)nc1)C1CC1 1684447577 NUDPGWOXGQPYMF-FQEVSTJZSA-N 448.336 4.841 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1687509405 KEVNNFJHHKEHOT-JYJNAYRXSA-N 440.009 4.887 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(CC)s2)c1 1689872458 ZCYFGGYYMBZRCL-UHFFFAOYSA-N 449.624 4.595 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCCCC1 1689878744 TVXQZNQOFWDQIV-UHFFFAOYSA-N 432.410 4.866 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1689897845 JZQSRRMNJZNOSV-HSZRJFAPSA-N 448.659 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1C 1690034465 ISUOSLIQXRAADK-PKOBYXMFSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccncc1Cl 1690063614 KCTJLRXIPJKTHQ-UHFFFAOYSA-N 425.989 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(O)(CC)CC 1690194948 BXDTWQZGATVNSI-XMMPIXPASA-N 449.624 4.920 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCCSCC 1690214440 JTYHNCXBKAKKHK-JOCHJYFZSA-N 430.643 4.714 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690276102 JFIVVXXCRKJOJA-QFIPXVFZSA-N 447.583 4.568 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1690296893 UYUNSDVYWMJOKH-RTWAWAEBSA-N 442.629 4.939 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC=CCC2)CC1 1690397127 WCRXUKGFWJRUAJ-FQEVSTJZSA-N 439.991 4.620 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@H](C)C1 1690454047 RUVNYGYKGIWUPE-SFHVURJKSA-N 428.577 4.954 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1690470675 IGUSGKTWOZGBHM-UHFFFAOYSA-N 447.587 4.663 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccnc(SCC)c1 1690515313 KEZPYVZKEPRHFQ-INIZCTEOSA-N 427.549 4.735 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1690607303 JVPSXPAPLSURKN-GMAHTHKFSA-N 435.572 4.619 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1690631090 LGJROEHZEOLOCR-OAHLLOKOSA-N 449.502 4.999 30 10 IJEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H](C)c1ccccc1 1694323607 CYBZCYXAPYVHEE-LJQANCHMSA-N 436.604 4.520 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1705527774 JNBYSEBENKZHFX-PKOBYXMFSA-N 430.980 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1705672645 DRSPXKLUUHELEB-UNIVCBNLSA-N 435.616 4.641 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCSC1 1705698428 UHZSLLHLYVFQLS-CZYKHXBRSA-N 426.630 4.743 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705732500 BHDCIICSEHNVKW-IBGZPJMESA-N 440.979 4.538 30 10 IJEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705751719 VQKARLGIRLCYGA-UHFFFAOYSA-N 443.954 4.726 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705803432 QJDXPVFEUARZPW-SFHVURJKSA-N 443.567 4.934 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705832218 QQEUDTRVRZGXJI-YUXAGFNASA-N 428.552 4.604 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705847923 BPBXOHBSUSZNCJ-NZQKXSOJSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@@H](C)C1 1705862738 URBSZQVZGXCAKT-RNHFSVANSA-N 442.579 4.698 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1705863179 KINSOYZUKDANQN-JYFHCDHNSA-N 448.615 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705875290 NRTHRRABDBNARW-SFHVURJKSA-N 449.624 4.686 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1705888097 FFNMNZVTMINDLB-ROUUACIJSA-N 431.378 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722490703 CCBUUYIGZHKFJM-BXWFABGCSA-N 437.009 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CSc2ccccc21 1722502307 TUUNGUSKRIYDFN-NTKDMRAZSA-N 442.629 4.611 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(F)F)C1 1722557790 TYSRNOWNUDQOLZ-CQSZACIVSA-N 428.936 4.813 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCCC(F)(F)C2)CC1 1722579073 INIQZKCJKGOWCE-FQEVSTJZSA-N 432.563 4.758 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722610779 QQFPZWVSGDKRLT-UXHICEINSA-N 441.645 4.608 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(F)(F)F 1722675061 JCSQMLFXDVHVJJ-HNNXBMFYSA-N 438.425 4.948 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(COC)CCCCC2)C1 1722717071 CLPDNZTWNMJJCW-NRFANRHFSA-N 445.007 4.977 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C 1723761768 FWRWOTUPNHDXNO-XLIONFOSSA-N 446.580 4.972 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C1CCCCC1)N(C)C 1723773100 DHHWIKWTHIABLI-NTKDMRAZSA-N 445.615 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1740533929 DYXVXSLMEBNUKP-KMUUZFRCSA-N 436.600 4.698 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCC(c2cnn(CC)c2)CC1 1740806093 FZIQEIXJZQUPTG-UHFFFAOYSA-N 431.371 4.951 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cc(C(C)(C)C)no2)CC1 1740817735 RGGNFCOTNZRFBV-UHFFFAOYSA-N 448.571 4.637 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(F)cn2)CC1 1740820438 DDDCOPQORDBGDT-UHFFFAOYSA-N 446.299 4.586 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2oc(CC)nc2C)CC1 1740825442 VRSGQMPLDXSXGO-KRWDZBQOSA-N 425.508 4.621 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)(F)F)C1 1740863357 VUOGCNZYHOOJOO-QFBILLFUSA-N 436.478 4.926 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nc2ccccc2s1 1740866227 XUNJWZOATJQMTN-UHFFFAOYSA-N 435.601 4.742 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC2(CCN(C)C2=O)CC1 1740869581 RUHPSSAGFFUMLG-UHFFFAOYSA-N 448.398 4.667 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1740921269 OWGNDFFAESMKAP-OAQYLSRUSA-N 427.612 4.929 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC#N 1741415288 BPIOYQAMBZELCS-YRNRMSPPSA-N 433.959 4.927 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCOC1CCCC1 1749073551 UDCGBQVIMAENPM-AREMUKBSSA-N 436.600 4.815 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1749195735 ZGTAXDQZWWIBRE-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1749335313 OMKHOFPTPXLBJH-DEOSSOPVSA-N 447.583 4.917 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)ccc2OC(F)F)CC1 1749342052 UVZNQZGPJBKFMR-GOSISDBHSA-N 432.515 4.533 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1749418103 XCVPRIQZSYPQJF-JTBPQFFMSA-N 444.004 4.895 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1749538428 ITOZJIJJFBNORR-FGZHOGPDSA-N 437.632 4.628 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](C)C1)C(C)C 1749558767 YCJMWYDTBQXDJL-ZJSXRUAMSA-N 436.648 4.974 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1c(C)coc1C 1749592703 UZDBFKPMCPETHU-UHFFFAOYSA-N 431.540 4.699 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C(C)C)N1CCCC1 1760098664 VVHSTZVWQJVZHI-NNMXDRDESA-N 444.023 4.650 30 10 IJEE C#CCCCCn1c(N(C)Cc2c(F)cccc2Cl)nnc1[C@@]1(OC(C)C)CCOC1 1760142469 CUQFRJMBFPCTDF-HSZRJFAPSA-N 448.970 4.551 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](CC(C)C)N(C)C 1760290001 UPNVTCKCTBRHOH-OHUGHZGNSA-N 441.595 4.526 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 1760319650 OQSAJFQJXYDJII-DNVCBOLYSA-N 436.453 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccsc1Br 1760333739 HJMULFHIWQHIGP-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1760368025 XESQDZGSKVYVCN-JPYJTQIMSA-N 446.979 4.576 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760376105 FKLNSKRAHKSLHA-DNVCBOLYSA-N 432.952 4.788 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760424462 INXSOBXSHAIWME-DENIHFKCSA-N 444.023 4.502 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 1760435620 OZJQDLOSLRIDPN-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC2CCCCC2)CC1 1760441218 ASJDQHVQYRYZOE-UHFFFAOYSA-N 425.596 4.677 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC1(SC)CCC1 1760485069 RCDYSORSMSZGRQ-LJQANCHMSA-N 430.593 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1C1CCCCC1 1760490724 HTGVPQUHCFWXQR-HSZRJFAPSA-N 435.616 4.929 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@@H](C)C1 1760501621 WYMAJWJKVORENC-MJGOQNOKSA-N 425.602 4.898 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1=CCCCC1 1760502068 MVTATHJUABAAGP-UHFFFAOYSA-N 437.407 4.908 30 10 IJEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1765127542 DZLLDVMRZPRIER-IIZPIQPGSA-N 437.588 4.559 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCCC)cc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760983 LJMUILDKCUKQBK-JTKXPSIUSA-N 438.505 4.669 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12 1858243090 PEMXRBAJBJWVMG-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE CC(C)CCC(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 1860134339 HCEDCZCNUKDTIM-UHFFFAOYSA-N 425.554 4.891 30 10 IJEE CCOc1cc(/C=C/C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 1860728394 AMDIPVIRTNCZSP-XBXARRHUSA-N 427.806 4.987 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(OC)c(OC)c1 1861074429 RLMUCHDMIMMFKH-XEPMYJLFSA-N 444.616 4.965 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1862384440 ZKMMDLZBNPVMFF-IBGZPJMESA-N 446.286 4.529 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)c1 1862413549 GFNIHIWMOSRGDL-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOC(C)C)c1 1862434316 WHRIERHLLCJBRU-NRFANRHFSA-N 443.927 4.742 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 1862474787 UZPCRSKLGURMOQ-QFIPXVFZSA-N 425.500 4.919 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862474886 XSMTXIOBCPJXIM-DEOSSOPVSA-N 427.500 4.912 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1 1862535918 MPNMRYQATUUHDW-JOCHJYFZSA-N 449.938 4.768 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862572486 HBATZMREVIYFJK-FPTDNZKUSA-N 434.492 4.562 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)C)cc1 1862608681 SVKVGLCQRKOFHZ-WAIKUNEKSA-N 435.520 4.958 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1c(F)cccc1Cl 1862609779 VIKPGCUUEYACPY-YUNKPMOVSA-N 445.874 4.627 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@@H](C(=O)OCC)C2)nc(-c2ccccc2Cl)n1 1867979384 DKDZGLHDDLDJKE-GOSISDBHSA-N 440.975 4.755 30 10 IJEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1c(F)cccc1Cl 1870160997 UUHBJGJCDZGLER-UHFFFAOYSA-N 432.846 4.927 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1CCN(CC)CC 1870408885 KZXGVNKJPGKJCF-UHFFFAOYSA-N 444.019 4.597 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccccc1CC 1870972020 HAXBOLKMLMBYQY-UHFFFAOYSA-N 441.616 4.898 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C=C(C)C)ccc2C1=O 1871384822 LLUCLRSMKRKJDK-GRSHGNNSSA-N 429.266 4.946 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871420534 BRALRYSRRHNVQX-XKZIYDEJSA-N 433.891 4.960 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(OCC)cc1 1872060187 QJUVHFMGJTWXEJ-QFIPXVFZSA-N 448.560 4.517 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872098549 KIFVUAJPLBPRTR-OAQYLSRUSA-N 445.972 4.661 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872258567 KMCUNXFGJVNWLZ-MRXNPFEDSA-N 438.952 4.690 30 10 IJEE CCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 1872605441 VDZYFQKGAZOBHN-HSZRJFAPSA-N 430.614 4.800 30 10 IJEE CC[C@@H](C)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425145 VYDVUPJWLMLKPJ-QGZVFWFLSA-N 438.531 4.956 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc2cc[nH]c2c1 1873685407 QDCVWEVZSJOBIZ-UHFFFAOYSA-N 433.533 4.857 30 10 IJEE CCCSc1nnc(COc2ccccc2OC)n1/N=C/c1cn(C)c2ccccc12 1874290436 SXDFTEMAJJYLMU-ZVHZXABRSA-N 435.553 4.742 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(OC)c(OC)c1 1874300587 UPATYASBDNCOIA-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)cc1 1874306045 CNUHWLCXOLTVCO-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OC)cc1OC 1874362977 HQUCBKOYFIAPRG-MFKUBSTISA-N 436.581 4.939 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccs2)c1 1874464258 ZUCHKPXSLMHGJD-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccccc2F)nnc1C(C)(C)C 1874481442 WBFVPLLKUPCDRX-SSDVNMTOSA-N 431.562 4.698 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874487486 BMMXZZMSMCZNDM-LPYMAVHISA-N 425.514 4.568 30 10 IJEE COCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874502577 PDBZLNBOOXNWHU-FOKLQQMPSA-N 425.945 4.744 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nncn2/N=C/c2cccc(OCc3ccccc3)c2)cc1 1874537995 IQZRLKPWENSPIH-AFUMVMLFSA-N 445.504 4.940 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)c1 1875104055 DHUIZVZFQYVVOP-DHZHZOJOSA-N 448.471 4.836 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2)c1 1875107205 FQORKEKMUIQQSB-UKTHLTGXSA-N 432.472 4.893 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1875117734 KASRNYJLBSYSDO-DHZHZOJOSA-N 448.387 4.627 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)COCCOC 1875176898 QCCWBHHHVLCKNY-PKNBQFBNSA-N 438.520 4.505 30 10 IJEE N#CC1(c2ccccc2)CCN(C(=O)c2cccc(NC(=O)CCc3ccccc3)c2)CC1 1891616855 BGBVWJBUTVKIGY-UHFFFAOYSA-N 437.543 4.955 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 1922067600 CLILIZMMPMVVFO-KMDXXIMOSA-N 448.648 4.676 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OC(C)(C)C 1922070336 YILMANBILIEZLN-KSEOMHKRSA-N 434.621 4.834 30 10 IJEE C#Cc1cccc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951395433 WADKKSJMGBMRSV-VWLOTQADSA-N 425.484 4.592 30 10 IJEE N#Cc1ccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)o1 1952878865 MGMVCDXYPNEHEP-REWPJTCUSA-N 428.444 4.548 30 10 IJEE CC(C)n1cc(Br)cc1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1965482271 SHHQPVCQOJDNCQ-CQSZACIVSA-N 425.176 4.530 30 10 IJEE CCCCC#CC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2024370752 QNTSELNTZDMCBE-DEOSSOPVSA-N 429.649 4.965 30 10 IJEE C[C@]1(C2CC2)CSC(=Nc2cc(Br)ccc2I)N1 2029955042 SFAQNHKDTVKCHN-CYBMUJFWSA-N 437.144 4.546 30 10 IJEE N#Cc1ccc(OCC(=O)N2N=C3C(=Cc4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)cc1 2040425167 QLFZWAUCSFNVLC-SQJMNOBHSA-N 427.460 4.946 30 10 IJEE CCCc1ccc([C@H](n2nc(C)c(C=NO)c2I)C2(C)CC2)cc1 2080007698 WRIAHYWTPMAFME-KRWDZBQOSA-N 437.325 4.946 30 10 IJEE CCCOc1ccc([C@H](C)n2nc(C3CC3)c(C=NO)c2I)cc1 2080063104 XZJMLCVAJSBJNC-LBPRGKRZSA-N 439.297 4.571 30 10 IJEE C[C@H]1C[C@H](Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)C1 2105990951 DMUQRKQNYMJILG-GXTWGEPZSA-N 426.330 4.907 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2145545354 YGKNPJLMLILYDW-OALUTQOASA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CCC(OCCCNc2ccc(Br)cc2C#N)CC1 2162424273 YLSIDLJANFQNAH-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE Cc1ccc(CN2CCCC[C@@H](N(C)Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2169150464 LKVCGGNGXUUWHD-RUZDIDTESA-N 448.460 4.781 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2ccc(Br)c(Cl)c2)CC1 2201802787 MOEONHSWYWXWTA-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2211274355 NSTCFTNIBUFCFW-KSMMKXTCSA-N 435.487 4.714 30 10 IJEE C=C(C(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221677743 MWZAPZLCWNLZKE-MRXNPFEDSA-N 426.427 4.888 30 10 IJEE CCN[C@H](C#Cc1ccc(CC)cc1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2231151842 KHPFZWWJFQGAJB-AREMUKBSSA-N 449.639 4.606 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@H](N)C#Cc1ccccc1Br 2237310005 LQEZJWIKPKWAPE-GOSISDBHSA-N 431.330 4.856 30 10 IJEE C[C@H](C1CC1)N(CCC#N)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243911823 XIPJBADTEAQONX-GOSISDBHSA-N 445.563 4.844 30 10 IJEE Cc1cnc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267223871 IKJYGCCABYOBNE-LJQANCHMSA-N 436.405 4.766 30 10 IJEE C=CC[C@@]1(COc2c(Br)ccc(OC)c2N)CCCN1C(=O)OC(C)(C)C 2287691040 QSHZVESSCHFDES-FQEVSTJZSA-N 441.366 4.765 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CC(C)C1 2296309900 BVCTWSCHKCAKDG-COFLGROHSA-N 435.406 4.862 30 10 IJEE CN(C(=O)OC(C)(C)C)C(C)(C)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317312743 LZWSZCCINKHIPK-UHFFFAOYSA-N 431.386 4.784 30 10 IJEE CCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(C(C)(C)C)cc1 2321028734 YRUOSSYAOOSQDN-UHFFFAOYSA-N 446.580 4.961 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc(Br)c1O 2321109454 WAUCJRRPEDGULV-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)cc2F)cc1OCC 2323725583 PESBTIZANIYWIP-UHFFFAOYSA-N 437.870 4.818 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325549859 ZPGSQOWMKVDFCH-UHFFFAOYSA-N 435.863 4.988 30 10 IJEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2326684100 OVTMYDBBRSUBAQ-UHFFFAOYSA-N 439.544 4.815 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(=O)O)cc1 2327292912 RURHIMVMEBIKGX-UHFFFAOYSA-N 438.553 4.865 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327567463 SOPRHBAPGVWVAY-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2327975000 LZPMQQSSAUSOPP-UHFFFAOYSA-N 427.917 4.785 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1sccc1C 2330050518 ISEIVYACZCOTPO-KRWDZBQOSA-N 441.626 4.643 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)c1 2330896194 GUTDJQOKGJEQDY-NRFANRHFSA-N 438.553 4.630 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2sccc2C)cc1 2331184819 WTOUHVJNFOZCHA-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2F)cc1 2331377046 BVUGZXKPPJWCKM-UHFFFAOYSA-N 439.560 4.890 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)c1 2331381234 ZOWRUHSGBQDDCW-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc(OC)c1O 2331385973 ZFXUFQFIIFUXOX-UHFFFAOYSA-N 444.532 4.612 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2sccc2C)o1 2331393724 KCHVNAXZJDHTOL-UHFFFAOYSA-N 432.571 4.890 30 10 IJEE Oc1nc(CSc2nnc(C3CCC3)n2N=Cc2ccccc2F)nc2ccccc12 2331537784 ZWGZREKITPDPMP-UHFFFAOYSA-N 434.500 4.508 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC 2331871426 JPIGJICKFYCNSG-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)C=Cc1ccco1 2332201903 QNTQMGXKZBVWCJ-UHFFFAOYSA-N 445.866 4.616 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(COC)c1 2337143807 BHUXUVJUJSFOTO-ZWKOTPCHSA-N 427.383 4.716 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339536254 KUDIKBMDZLKMQM-KQDNUWKFSA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339544279 DIHOKSFYONDYFI-OALUTQOASA-N 443.397 4.974 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339575119 RLSPJCCCYNQOGF-IBGZPJMESA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588325 GXUMTRXLFPVCDR-RXGQBHOASA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339597657 YUFAFUGOKOWWKF-QHKCDQCESA-N 444.381 4.798 30 10 IJEE C=CC1(C[C@H](NCC)[C@@H](O)c2sc(Cl)cc2I)CCC1 2366667527 MDIULCXUAVBWLY-WCQYABFASA-N 425.763 4.764 30 10 IJEE O=C(CCSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1nc2ccccc2s1 20837779 OEHASDRWRZHCJW-UHFFFAOYSA-N 429.575 4.657 30 10 IJEE COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)c(Br)c2)c1 20881738 PVDWQCULFRPSBR-FUHWJXTLSA-N 440.337 4.770 30 10 IJEE Cc1ccc(C)c(C(=O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)c1 22691575 YLQRRMCYDRHCDM-HXUWFJFHSA-O 425.618 4.596 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccnc2)cc1 33375323 LSGSXJSCCODEIC-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 41358082 BBJGEZRTQXKMCG-XKZIYDEJSA-N 445.427 4.676 30 10 IJEE CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 58949820 YVRLTLCHDMHNCG-QFIPXVFZSA-N 447.531 4.756 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1 59015127 MYWQENRUYILOGT-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccc([N+](=O)[O-])cc1Cl 100527707 CCFKGYBKMBICSF-HAVVHWLPSA-N 440.872 4.562 30 10 IJEE CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O 103024409 ZAHJXDOIDBTWSI-UFWORHAWSA-N 444.867 4.543 30 10 IJEE COc1cc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)ccc1O 107365849 LHWQRKLSVSLESV-BMGIKKBBSA-N 441.483 4.892 30 10 IJEE NC(=O)c1ccc(Oc2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2)cc1 111070721 DZKOIPWQRNVUIG-UHFFFAOYSA-N 433.467 4.625 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)ccc1OCc1cc(C)ccc1C 169886922 ANMYLWJFPHRPAT-PCLIKHOPSA-N 438.549 4.594 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC(C)C)cc1 169977986 SNYGJPUJFNZWID-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 169989655 KOZXONLQIYCYIB-JOCHJYFZSA-N 449.503 4.643 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N2CCC(C)CC2)C1=O 170055075 YPMFBUISNHHGOM-UHFFFAOYSA-N 442.600 4.876 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170143335 XSGFJVCOHSAVQY-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccncc2)c1 170144914 RYTSNNLHCBMRAA-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)cc1 170171646 JGNXCTXOIBGBAY-XMMPIXPASA-N 440.499 4.752 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3cccnc3)ccc2O1 170189062 XIXGMTFJINXXBR-PEBXRYMYSA-N 446.890 4.841 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 170237359 BQFOBCMCDVDVAD-IBGZPJMESA-N 438.436 4.574 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)s1 170247061 SVVMVZDMXLHPGJ-QGZVFWFLSA-N 428.510 4.739 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccco2)cc1 170295478 JBECLPWJPOWWSK-QFIPXVFZSA-N 441.524 4.708 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@@H]1c1ccco1 170297158 FRHSIZPPMCKYOZ-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(C)o1 170299775 BMMNPAKVVJBIMA-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170316046 MQZWEGUMPZHPCC-PZJWPPBQSA-N 433.529 4.967 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 460777206 FUDGGXFOGUGZQH-OAQYLSRUSA-N 432.524 4.641 30 10 IJEE CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1 503402904 QXHJRUVMHVTIIM-AREMUKBSSA-N 440.584 4.568 30 10 IJEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3F)C2=O)cc1 526659689 BFSIYGFVLVXQMY-UHFFFAOYSA-N 429.476 4.995 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(C(F)(F)F)cc1 560998482 QQYOZOHJCFPPBP-YSIASYRMSA-N 440.506 4.580 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2ncc(C)s2)CC1 568657232 JIMOJWSDBRVLHJ-UHFFFAOYSA-N 439.585 4.687 30 10 IJEE COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4C#N)C3)nn2)cc1 585192661 OCUSVBNEDLFCKJ-GOSISDBHSA-N 447.926 4.532 30 10 IJEE CN(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586215666 AIQZKVZXERXUKM-UHFFFAOYSA-N 425.941 4.673 30 10 IJEE CC(C)CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720676 TULDHMXOOJSMMI-KRWDZBQOSA-N 445.976 4.527 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@@H](C)c2ccc(C)cc2)C1=O 737414578 NFOXQYYQTYMSTK-DNVCBOLYSA-N 429.973 4.520 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cc(N)cc(Cl)c2Cl)c1 747025663 VFEUPXCPZYCBTD-CQSZACIVSA-N 434.323 4.685 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 750687165 LEJCOYXYFMFQPR-SBUREZEXSA-N 425.554 4.942 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(-c3nnc(CCOC)o3)c2)c1 778731257 NSKDPVANZMTXBV-UHFFFAOYSA-N 443.528 4.815 30 10 IJEE C#CC[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccc1 788235619 WNOWIULUOMPBMU-VQTJNVASSA-N 441.959 4.880 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1 810184852 CYEQFQVGSZGHOF-QFIPXVFZSA-N 438.936 4.810 30 10 IJEE COc1ccc2ccccc2c1C=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 1084377966 DMJASXHJJOJTKL-UHFFFAOYSA-N 446.532 4.807 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(Cn3cc(Br)cn3)s2)c(OC)c1 1124175789 DIAINMSBOHQECO-UHFFFAOYSA-N 433.327 4.712 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccc(Cl)cc1F 1129616348 PRWWANYIFGCWSJ-SFHVURJKSA-N 432.680 4.532 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F 1137857662 XEIABZJNCHJUNY-JKSUJKDBSA-N 434.886 4.702 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 1141501659 WLWQFSUDIIJMLA-GOSISDBHSA-N 428.579 4.619 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1158669760 JTFIORYBHABCLT-WNGMQEJOSA-N 434.602 4.899 30 10 IJEE C=CCN1CC[C@H](Sc2ncc(-c3ccc(Br)cc3)n2CC(C)C)C1=O 1165239094 QEZCLBWCWRGDHJ-SFHVURJKSA-N 434.403 4.848 30 10 IJEE N#Cc1c(NC(=O)CN2CC[C@@H](Oc3ccccc3Cl)C2)sc2c1CCCCC2 1168361695 FQXYQGWYTCFNFK-OAHLLOKOSA-N 429.973 4.634 30 10 IJEE COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC2 1175881931 AJJFXQULIJLJFT-QGZVFWFLSA-N 441.959 4.532 30 10 IJEE COc1cccc(-c2nnc(SCC(=O)[C@H](C#N)c3ccccc3)n2Cc2ccco2)c1 1188251845 AFRRJPPKOTXGGH-OAQYLSRUSA-N 444.516 4.564 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 1219086961 USWFAPJBFSTXHB-UHFFFAOYSA-N 444.329 4.566 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1)c1ccncc1 1222021634 MGLMYFFHBUFLSL-GIVPXCGWSA-N 444.373 4.617 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 1248610869 CQXWZFDCLZWQNT-DENIHFKCSA-N 445.604 4.866 30 10 IJEE C=CCN(C(=O)c1cc2nccc(C(F)(F)F)n2n1)c1nc(-c2ccccc2)cs1 1264216793 SQJMJKJATBVQLC-UHFFFAOYSA-N 429.427 4.704 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)Oc2ccccc2C)c(C(=O)OCC)c1C 1264357217 HVUYKDOIXQNUHN-MRXNPFEDSA-N 445.537 4.681 30 10 IJEE CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCC2 1264695308 DYDZPZBXYXCLTL-LJQANCHMSA-N 425.554 4.575 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1271329572 CYGBPBMUZOHPFG-UHFFFAOYSA-N 434.561 4.730 30 10 IJEE C=CCC1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)CCCC1 1272425855 IHOFDPJHLZOJKF-GOSISDBHSA-N 447.417 4.862 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 1276786915 AGCZTYJXMVFASG-IBGZPJMESA-N 447.560 4.607 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@](C)(O)C1CCCCC1 1286378631 WGSOKJJUWLOIAV-AREMUKBSSA-N 438.616 4.690 30 10 IJEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1286504711 VNTRONWIWWXBFO-KRWDZBQOSA-N 440.642 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccsc1)N(C)C 1286520382 IFHARGOBLWYAQY-NZQKXSOJSA-N 440.016 4.955 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1286551190 LAFLGCPEEGHNPX-GRWTVWFQSA-N 443.954 4.849 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(=O)NC(C)(C)C)CC1 1286637404 DAGZHUCKTFIAGK-QGZVFWFLSA-N 445.995 4.533 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1286640507 JBXQBWVVCNVPOM-NHCUHLMSSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1286659536 SWTGZFOOERORCD-SFTDATJTSA-N 439.623 4.778 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1286678262 TXVLHGFVKHSFNB-GOSISDBHSA-N 449.521 4.555 30 10 IJEE C=CCCCCn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1286691938 VCIXDVRKWDKJOI-DEOSSOPVSA-N 445.007 4.891 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1286707956 LKTCRPBAJKRAAL-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCCc2sccc2C1 1286714360 PRGAFFMQPHYNTC-UHFFFAOYSA-N 438.597 4.773 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCc1nc(C)c(C)s1 1286742480 PWDXVHAAHVRDJR-UHFFFAOYSA-N 432.597 4.926 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CC(=O)NC1CCCCC1 1286749370 QHCDLGWXFYAPOJ-UHFFFAOYSA-N 429.634 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1300272245 AFJHNEGDADRUGB-UTKZUKDTSA-N 441.501 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC[C@H](C)C1 1300275333 TUAJUWCMYBMNOX-ROQCDXFCSA-N 437.632 4.613 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 1300477473 JUHLSCKCJDCEBJ-YJBOKZPZSA-N 437.378 4.830 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1300741405 WATXGRZZHNKJFD-IXFSTUDKSA-N 428.577 4.693 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1300769663 HWVRNLRNWOMJAK-NHCUHLMSSA-N 438.641 4.756 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccsc1 1300770804 ZKUUMTRQCYAZTP-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1300830322 FIXOWWDHPKBXCM-HNNXBMFYSA-N 426.362 4.866 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCS[C@H](C(C)C)C1 1300880415 ILKPRSNDFZQNIN-NYVOZVTQSA-N 442.629 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1300907380 HPRQLHQNOABSHY-DEOSSOPVSA-N 430.600 4.888 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C)CC1 1300979919 IISGIRLQYIPZQJ-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2CN(CC)CC)CC1 1301119408 HNZIYPILSUPZSN-UHFFFAOYSA-N 430.600 4.633 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 1301163633 LAQMZLZBEPERTM-MDNUFGMLSA-N 437.632 4.893 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1301212293 UPDWEBWMDODYGD-HXUWFJFHSA-N 446.599 4.592 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CC[C@H]1CCOC1 1301365521 RTKGPFKYFKSUMK-IBGZPJMESA-N 426.561 4.689 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(C(F)(F)F)c2)[C@@H]1C 1305072136 ADENPIJMNUDXJK-HUUCEWRRSA-N 426.446 4.514 30 10 IJEE C=CCC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C(F)(F)F)cc1 1307619102 WDNISDCOBIKUCO-QGZVFWFLSA-N 437.418 4.858 30 10 IJEE C=CCCC[C@H](NCC(=O)Nc1ccccc1I)c1ccccc1 1308038996 BVAMDCBUOYOZKX-SFHVURJKSA-N 434.321 4.917 30 10 IJEE Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(C#N)c(Cl)c1)=C(/O)c1cccs1 1322331703 AXRAHGIYRLGADQ-UHFFFAOYSA-O 428.946 4.898 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2CC(=C)C)C1 1344728716 HECOZUOPLVIFFO-JOCHJYFZSA-N 430.552 4.882 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1cccc(C)c1 1354037926 DZENAAOWACTNTG-WIOPSUGQSA-N 440.503 4.602 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 1356408373 NOKIHMHCCGSGIY-GOSISDBHSA-N 430.479 4.971 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](C)N1CCCCC1 1358878450 WVCBMMCPBLGAJT-VQTJNVASSA-N 439.673 4.998 30 10 IJEE C#CCCCCn1c(COCC)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 1358917228 KOFRCFIKJNLSMO-UHFFFAOYSA-N 441.963 4.797 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(OC(C)C)CC1 1358922542 JDNHHQJCZKVCGP-GOSISDBHSA-N 426.630 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCC1(COC)CCC1 1359063688 BCQJUHYNEHJTHJ-YADARESESA-N 440.563 4.756 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 1359194249 RQDVMXNIUCUBNL-RDPSFJRHSA-N 449.643 4.893 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 1359194250 RQDVMXNIUCUBNL-YKSBVNFPSA-N 449.643 4.893 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1359202169 LIILBALAZCSOJS-UHFFFAOYSA-N 445.970 4.657 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359207935 BIXWDOZOSHRTCI-UYAOXDASSA-N 435.538 4.859 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359228814 OWCZPUFGSHCMIT-VQIMIIECSA-N 441.428 4.543 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H](C)c1nccs1 1359259044 KOBSFZPNJGUFJE-IBGZPJMESA-N 430.581 4.717 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC=C(c2ccccc2)C1 1359286938 BPOHTWODZSSLJE-QFIPXVFZSA-N 449.599 4.872 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1359337935 GPISSVMCUPMSKL-GOSISDBHSA-N 442.629 4.898 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)(F)F 1359761090 CPROXLXVKLZSQC-RTBURBONSA-N 435.494 4.657 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 1435138230 ZRDJTJYWSOFJME-UHFFFAOYSA-N 425.491 4.775 30 10 IJEE O=C(OCc1cccc(OC(F)(F)F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 1435369065 CPYCOJIUPOGIDH-UHFFFAOYSA-N 449.282 4.681 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c(O)c1 1448396438 CEJRGDXWLRBYJS-UHFFFAOYSA-N 437.374 4.762 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CN(C(=O)OC(C)(C)C)C1 1448531604 JEKKJLWETIBLLL-UHFFFAOYSA-N 445.466 4.904 30 10 IJEE C=CCCC[C@H](C(=O)N[C@H](CO)c1ccccc1I)c1ccccc1 1456982371 DMDBNCPNRUJAGR-FXAWDEMLSA-N 449.332 4.581 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1462500521 CJENWKXITCLFOM-QHCPKHFHSA-N 440.609 4.997 30 10 IJEE CCN(C)C[C@@H]1CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1466941275 CKVGTGFBXJTOCW-LBPRGKRZSA-N 429.380 4.782 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCO[C@@H](c3ccccc3Cl)C2)ccc1Cl 1473158216 HUTMRXFOWRFLKC-OAQYLSRUSA-N 432.351 4.622 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(C)CCCS1 1507544150 YSNCLCYNZNJIQV-JPYJTQIMSA-N 447.048 4.995 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)S[C@@H](C)C1 1507573384 GCSSJKPPEMMRQI-ROUUACIJSA-N 430.643 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1ccc(COCC(F)(F)F)cc1 1507762380 UIZKVRKYYUBBDH-VGOFRKELSA-N 434.506 4.911 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC)(CC)C1 1507811240 OXECVIUYRFVRBK-AUSIDOKSSA-N 442.579 4.994 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1507832208 SXSAFRXWAYSAOO-UYAOXDASSA-N 431.625 4.984 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1507905313 SYTSEFPDOGOJKS-UHFFFAOYSA-N 449.521 4.798 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 1507918127 AYHDGHBFZLOIOW-UHFFFAOYSA-N 426.605 4.896 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1507960817 UUWGCPIVDYJYEQ-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@H](OC)C(F)(F)F)C1CC1 1507987520 FKDYXTJBBJRKFF-FQEVSTJZSA-N 445.489 4.924 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1507990994 QVAUKZBKXHZISR-CVDCTZTESA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCc1cccc(C)n1 1507998959 HEDXNHUGDGMHKZ-UHFFFAOYSA-N 449.562 4.659 30 10 IJEE C=CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccc(OCC)cc1 1508068255 WLMXMJBPYGJZCX-KDOFPFPSSA-N 430.459 4.523 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CC1CCC(F)(F)CC1 1509944927 AOLZTWCZCZQKAU-KRWDZBQOSA-N 426.515 4.845 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCCC2)c1C 1510373573 IGAAVUITTVHAOD-KNQAVFIVSA-N 438.620 4.507 30 10 IJEE CCOc1cccc(Cn2c([C@H](C)CC)nnc2N2CCC(CC#N)CC2)c1OC(F)F 1516318598 BDKCTEJCDIVFCR-MRXNPFEDSA-N 447.530 4.970 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(COc2ccc(Br)cc2)o1 1521849634 PGIUVXRDFAXFLK-UHFFFAOYSA-N 440.293 4.563 30 10 IJEE C=CCN(C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1522165087 GJGBUNBKWFOGGU-UXHICEINSA-N 437.433 4.905 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 1523228147 ATMOAOHENIMKSQ-LAUBAEHRSA-N 427.907 4.872 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1OC 1524433145 URCHABNRFMZZSF-WEVVVXLNSA-N 425.378 4.992 30 10 IJEE CC[C@H](NC(=O)COc1cccc(Br)c1C#N)c1ccccc1OC(F)F 1526432318 HQGBCADNZKEPED-HNNXBMFYSA-N 439.256 4.568 30 10 IJEE C=CCC[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 1529475098 ZXENLSQONOXYGQ-LEWJYISDSA-N 428.479 4.650 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 1538385709 UFACTIKRKNIFRA-OAQYLSRUSA-N 429.969 4.977 30 10 IJEE C=CCN(C(=O)c1cccc(Br)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1538618455 KORQSMGDHKFZIM-FQEVSTJZSA-N 430.342 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Cl)s1 1539626064 AVFAOEVHHYCEQX-LPHOPBHVSA-N 429.977 4.673 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1539693676 UAUHLTOHHGTYAN-SFTDATJTSA-N 425.621 4.865 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(C)C2CCCC2)CC1 1539839989 JEIDTLNPYFPIPS-UHFFFAOYSA-N 429.996 4.638 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(CC)C(C)C)CC1 1539877710 CNDYHTDDHIRIGI-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1539877774 FAQQLROBTPDJGD-GGAORHGYSA-N 438.616 4.697 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC1(OC)CCCCC1 1540132999 CJUPBDFSTKZVJO-UHFFFAOYSA-N 431.584 4.806 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H]1C 1540134480 SMHRTJRDEPZHGF-RTBURBONSA-N 448.546 4.693 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1540162362 PKIHJPBZZBRCON-LJQANCHMSA-N 425.577 4.769 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCSC1(C)C 1540194560 SMJDHJWDUXWTNB-LJQANCHMSA-N 437.613 4.664 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)N1CCCC1 1541304545 DCZYVGANSNWYLL-QFIPXVFZSA-N 441.023 4.849 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C(C)C)C1CCCC1 1541546220 FOFVKOIKLDSOSQ-RUZDIDTESA-N 439.604 4.541 30 10 IJEE CCn1c(O)nc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)cc21 1546332137 HHPQELBDMODQIG-UHFFFAOYSA-N 426.476 4.773 30 10 IJEE C=CCC[C@H](C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1 1556942216 VFEUXNHDCQAMSO-UTKZUKDTSA-N 434.349 4.605 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SCCN2CCCCC2)cc1 1557147436 GFXJBHYUJUVWPV-NRFANRHFSA-N 445.629 4.510 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(c2ccccc2Br)CC1 1564140194 BRJSNOYXKUVLBE-RXVVDRJESA-N 438.369 4.962 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1565727694 KWONLUGURFOXOB-QHCPKHFHSA-N 443.632 4.607 30 10 IJEE C#CC[C@@]1(C(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1569399660 OJVFFTYSLKZNHL-WNSKOXEYSA-N 444.963 4.529 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CCc3ccccc3)c3ccccc3)ccc2c1=O 1583259155 QQYSLMZJDUUXCS-UHFFFAOYSA-N 441.556 4.761 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 1583695696 MBFJDXQIVGGETO-PQNGQFLHSA-N 434.580 4.772 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@@H]1OC 1587561619 FTYDXYLLOHQCGJ-HUUJSLGLSA-N 445.007 4.961 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1587827297 KESCDWACANQFDG-OAQYLSRUSA-N 449.643 4.789 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1588265579 DLSRTBNNPMPWON-CNNODRBYSA-N 428.552 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cnccc1OC 1588276573 QVEYZYWPDVQWFW-UHFFFAOYSA-N 437.956 4.725 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCC1 1589503012 BFMGTZVTUWHKKW-VQIMIIECSA-N 431.378 4.678 30 10 IJEE C=CC(C)(C)CC(=O)NC1(c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1593869103 RSXXRCXAECADDR-UHFFFAOYSA-N 437.378 4.614 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1594035040 AUDDSFVCXRCRSJ-DEOSSOPVSA-N 447.631 4.858 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@](C)(O)CC)CC1 1594429994 GHUQRDSZKKDZSW-VWLOTQADSA-N 426.605 4.852 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1594581853 DILXWVCSWKSQMO-HSZRJFAPSA-N 432.616 4.775 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 1594608984 ZZZPIHBSMXHVMM-FQEVSTJZSA-N 448.615 4.678 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1594634383 KJZCIARZGPIVFK-UHFFFAOYSA-N 444.023 4.573 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1594709499 WZBCPEJELITPHT-UHFFFAOYSA-N 439.579 4.669 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1occc1C 1595184801 CFHNPULMTUXUJX-UHFFFAOYSA-N 443.345 4.844 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1CC(c2ccccc2)C1 1595282348 FQCNVWGUKTWMCP-UHFFFAOYSA-N 437.975 4.826 30 10 IJEE CC(C)(C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(OCc2ccccn2)cc1 1597047201 AMKCONVILYIRSC-UHFFFAOYSA-N 444.583 4.728 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 1611468480 CJRIWLFUQRHNLO-UHFFFAOYSA-N 441.318 4.873 30 10 IJEE CCCOc1ccccc1/C=C1/S/C(=N/c2ccc(O)cc2C(=O)O)N(CC)C1=O 1614234335 KAWJOZIEZVOGMU-GTXWLNMASA-N 426.494 4.503 30 10 IJEE CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N/c1ccccc1C(=O)O 1614236833 SWBMCPWBJUWQOR-XKOOYEHJSA-N 431.311 4.771 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cccc(Br)c1 1626140659 DSXNOAHIPHFBQR-BBRMVZONSA-N 445.785 4.532 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)C1 1628821244 YFWOVODAKCDSLE-MAUKXSAKSA-N 437.378 4.830 30 10 IJEE C#CCN(C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1632053992 ZHJGTHFDTJHYMN-AOMIVXANSA-N 425.573 4.545 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(C)(C)C#N 1636334657 BVTKDRUOWIWDHX-XMMPIXPASA-N 447.579 4.948 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)cc21 1636358133 QCKOKBLEXCEULZ-NRFANRHFSA-N 432.524 4.695 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)CCSCc2nc(O)c3ccccc3n2)cc1C#N 1637213907 SJOSQXXBNSSJDW-UHFFFAOYSA-N 436.537 4.646 30 10 IJEE C=CCC1(NC(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CCCCC1 1638561411 XLIPSURTSYFXEB-FQEVSTJZSA-N 433.515 4.897 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1 1639602293 CRORKMZDBUXCCH-IRXDYDNUSA-N 431.360 4.522 30 10 IJEE CCSc1ccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)c(Br)c1 1642109345 FBOQJGOTCNRMPO-OAQYLSRUSA-N 430.415 4.944 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)ccc1Br 1642938670 AWIUWEDILFSFEN-KRWDZBQOSA-N 425.367 4.623 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C=CCC1 1643605148 FLNOYFMOBQCHCQ-DFBJGRDBSA-N 430.548 4.942 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)C(=O)OC 1644819969 VGLFBOOKDPOBBH-QGZVFWFLSA-N 427.526 4.504 30 10 IJEE C=CCCn1cc(C(=O)N2CCN(c3ccc(Sc4ccc(C)cc4C)cc3)CC2)nn1 1646417680 LIFPBGPMSJMGAH-UHFFFAOYSA-N 447.608 4.585 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1)c1ccccc1 1646624078 KJZQRDFBPRBMCS-SSEXGKCCSA-N 440.594 4.723 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(Br)cc2[N+](=O)[O-])cc1OC 1657891107 BHKDOUSCSHRETI-UHFFFAOYSA-N 441.709 4.874 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 1658509887 CUWOPAXZYJGAFG-UHFFFAOYSA-N 438.572 4.621 30 10 IJEE COc1cccc(-c2csc(CN3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)n2)c1 1659646554 AEGDTRCWSJVOAI-JOCHJYFZSA-N 438.984 4.855 30 10 IJEE C[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1661073292 ARRRKILMIQQWBS-NSHDSACASA-N 436.377 4.505 30 10 IJEE C=CCCSCCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 1667442543 NQDPJLSGYYTVMD-IAGOWNOFSA-N 449.617 4.538 30 10 IJEE C#CCC[C@@H](O)CNC(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1668454248 ATBHWJWCZNCENE-CQSZACIVSA-N 437.721 4.791 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1 1668778477 YTZISECIFQZFNY-UHFFFAOYSA-N 431.558 4.872 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCc2cccc(-n3cncn3)c2)cc1 1671954238 ABMZOEOEONKZKO-UHFFFAOYSA-N 426.505 4.612 30 10 IJEE Cc1nc(-c2ccc(CCNC(=O)Nc3ccc(Br)c(C#N)n3)s2)cs1 1673983582 GBZVXAYVZSAXAB-UHFFFAOYSA-N 448.371 4.573 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)cc1 1675104161 DCWGVKOOELESMM-UHFFFAOYSA-N 439.516 4.663 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 1679251646 CPJJFWMYFGGJAG-NRFANRHFSA-N 445.485 4.880 30 10 IJEE C#C[C@@H](NC(=O)N(CC)[C@H](C)Cc1ccc(OC)cc1)c1ccc(Br)cc1 1682356996 QHMIHAIFHPZERO-IIBYNOLFSA-N 429.358 4.795 30 10 IJEE C#CC1(O)CCN(C(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(Cl)c2)CC1 1687455059 ZKHNVQVQCWDGTG-UHFFFAOYSA-N 437.298 4.595 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCc2oncc2C1 1689882460 ATDQOWDIJIVOQS-UHFFFAOYSA-N 433.556 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC1 1690237973 CWNMDYBRBXDEPI-MMOPVJDHSA-N 430.980 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1F 1690257708 RHZUNJKHXCKDAA-UHFFFAOYSA-N 432.341 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)c1ccsc1 1690271058 BUODXTQHHADARL-QHCPKHFHSA-N 426.586 4.537 30 10 IJEE C=C(C)COCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccccc1Cl 1690320125 KJQAPQRGRONNON-UHFFFAOYSA-N 426.952 4.931 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1690414897 PIAMUAYTYFXUEW-VWLOTQADSA-N 435.660 4.976 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCc1nccs1)c1ccccc1 1690445377 WPRZUKJWHZUBHQ-SFTDATJTSA-N 437.613 4.667 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnccn1 1690472651 SJEINZWZOBMXNN-UHFFFAOYSA-N 427.556 4.745 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1690490340 WXWGIMCFTPKUBK-IBGZPJMESA-N 431.378 4.537 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1690500250 PLOSBANPDNILIB-TZIWHRDSSA-N 434.588 4.943 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1c(CC)noc1C)C1CC1 1690537338 MZMQRPQXBWCECD-INIZCTEOSA-N 425.508 4.619 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1OC)C1CC1 1690539634 HFKQKPULVXTKMA-LPHOPBHVSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1690542599 VKZJUMDTVRQVBH-GOSISDBHSA-N 440.592 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1nccs1 1690577571 JVWNXZMZNMTQSN-IRXDYDNUSA-N 429.615 4.686 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H]2CCCCCC[C@H]21)C(C)C 1690583361 IGYPSKUADUHGAD-MOUTVQLLSA-N 441.664 4.987 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](OC)C(C)(C)C1 1690734257 ZUMQCFRNHNFJHI-FPOVZHCZSA-N 444.645 4.815 30 10 IJEE C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1692731987 GRVPZMZCKIGVGJ-FROCWPDGSA-N 443.542 4.581 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)C1 1693624813 HGVOOOSDEQZDAB-PQNGQFLHSA-N 434.632 4.954 30 10 IJEE C[C@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)C1 1693629574 GHCHAHCFPXLNJJ-REWPJTCUSA-N 448.615 4.624 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)C1 1694435353 ADJKDBQYTRYBPN-XMMPIXPASA-N 448.596 4.520 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCCOC2)C1 1705510037 MZZSUNMCMSCUSD-GJZUVCINSA-N 436.600 4.845 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1705512907 SMEZUJUXUCCAMH-PGRDOPGGSA-N 431.565 4.648 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)C[C@H]1CC 1705531104 YGSCMAYEJGOHIT-NVXWUHKLSA-N 431.378 4.754 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1705537421 FTDDPIABGFYMCN-UHFFFAOYSA-N 448.640 4.893 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1705540351 WLSYIBGNCFHMOA-MDNUFGMLSA-N 438.591 4.818 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C(C)C 1705695584 IXQZKZSYGCJFKB-NQIIRXRSSA-N 441.963 4.983 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC(F)F 1705696071 LIXMFDFBRIVPFP-IFXJQAMLSA-N 440.922 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC1CC1 1705710730 ZKWAKXCDXGGXHK-PGRDOPGGSA-N 430.980 4.728 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(Br)c1 1705728789 XFVRUIJSSUUSBG-HNNXBMFYSA-N 435.276 4.804 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC1CC(F)(F)C1 1705736651 YVUWYSMNAWNYHH-UHFFFAOYSA-N 443.498 4.674 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCSCC(C)C)CC1 1705765966 IVYUBRMHKPOHAM-UHFFFAOYSA-N 430.618 4.898 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1705766064 LREPGLYNMSTRGN-UHFFFAOYSA-N 449.599 4.977 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2CCCCO2)CC1 1705777062 WGAGSHAOYKWING-RXVVDRJESA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705807770 NMKXEOYNEATOFY-HXUWFJFHSA-N 438.551 4.515 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC(C)(C)N1CCCCC1 1705858021 OWBPIZCSULDKLH-UHFFFAOYSA-N 434.632 4.904 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCCCCC2)C1 1705921684 XFGRTMNASOLLAE-SFHVURJKSA-N 448.970 4.604 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 1705944915 WVNCDFMZQAPQDH-HNNXBMFYSA-N 426.508 4.652 30 10 IJEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CCSC)s1 1708958324 HKQHPZRCMPSTGL-MRXNPFEDSA-N 440.642 4.656 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)CCCC1 1711619254 GTDCXWBPCKUUGB-FXAWDEMLSA-N 425.577 4.590 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1sc(C)nc1C 1722407860 SXMOKDWHKJXDNL-IBGZPJMESA-N 437.613 4.810 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCCCC1 1722662009 UCIPSFCPTJOAKI-UHFFFAOYSA-N 439.585 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCOc1cc(C)cc(C)c1 1722662874 NGIADGSWQYRYSQ-UHFFFAOYSA-N 448.596 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1ccccc1Cl 1722663535 AIDQVHKPFYSMKZ-SFHVURJKSA-N 428.989 4.932 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC3CCCCC3)c2)C1 1722709570 SRCVXQVOCFTCIY-OAQYLSRUSA-N 439.604 4.512 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1727708632 CNDKBXXZJNLRJS-ZRNYENFQSA-N 444.624 4.915 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OC1CCCC1)C(C)C 1728297283 CSXVUNNSIPVGIX-UHFFFAOYSA-N 430.556 4.816 30 10 IJEE N#CC1CCN(c2nnc(C3CCCC3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1731185485 DFZAYEAYKQGVFC-UHFFFAOYSA-N 433.478 4.817 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCSC(F)(F)F 1740648756 PUNNKDQREHWYCU-UHFFFAOYSA-N 447.313 4.968 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1740733473 FKFUZIOGGWXGQK-VBANMALSSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740761877 PNEIGKLQZLBHLB-NQIIRXRSSA-N 434.531 4.696 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1740761942 PZAGCAMOSYZLPT-RBBKRZOGSA-N 439.560 4.504 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1740780372 MJWNGWSNRMBYLD-MSOLQXFVSA-N 429.996 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@]1(OCC)CCOC1 1740852523 OZBVHBUUPKOLFJ-JPYJTQIMSA-N 430.618 4.936 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1740878651 QKCWDTSTDHYTLQ-UHFFFAOYSA-N 441.645 4.516 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccsc1 1740879444 LREFZYSTHGFZRI-QGZVFWFLSA-N 427.599 4.639 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1740879850 RXKIJNMWNGJBII-IBGZPJMESA-N 428.487 4.960 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(CCC)C1 1740921430 UDBRKZSEPSWZGK-NZQKXSOJSA-N 441.595 4.583 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(C)COCCO1 1740922538 KQVMCWAGZMQODI-XMMPIXPASA-N 438.597 4.567 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1740941540 NHWROSNCMJKLDM-VWNXMTODSA-N 440.632 4.982 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC)CC1 1740970869 DNRRLDCULHOASL-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1748761500 ZWZWIKCMAYVQDW-HXUWFJFHSA-N 430.980 4.709 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1748764808 WPUKHFXDJNMFKG-DNQXCXABSA-N 443.595 4.775 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCc1nc(C(F)(F)F)cs1 1748915006 RFMAHWLTPJEPKX-UHFFFAOYSA-N 445.470 4.869 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1749047494 XSIYFJUIJYCPBU-FQEVSTJZSA-N 440.544 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](CC)N1CCCC1 1749054562 WESCTWQSHQMJSJ-QHWMMSMNSA-N 449.643 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC1(SC)CCOCC1 1749058211 CLMWMPYLBQDQPT-OAQYLSRUSA-N 431.005 4.503 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(Cc1ccco1)C(C)C 1749132569 AMEWNTPINFOYEF-DENIHFKCSA-N 426.586 4.920 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1749335120 LBBXWLXPAOROPG-FUHWJXTLSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H](C)C#N 1749355977 UJGIHXZSCBOJKX-OAHLLOKOSA-N 446.393 4.914 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(Oc2cc(C)ccn2)CC1)c1ccccc1 1749385305 PWMMMESMSJUEHD-JOCHJYFZSA-N 431.584 4.952 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1749390212 AOEXTIQHERGAST-UHFFFAOYSA-N 442.007 4.936 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Cc2cccs2)C1 1749700614 LUFVHMOAGYHFDK-FUHWJXTLSA-N 444.004 4.715 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1760142222 VXCXKNBFUDVVAO-PKTZIBPZSA-N 436.600 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCCCC 1760289182 JUNSMMAMOJLKOI-MHECFPHRSA-N 426.630 4.940 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)C1CCN(CCC)CC1 1760342054 PPNVHLSSLADBCU-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1760357927 PJZSIPPEYBQCGL-UHFFFAOYSA-N 448.558 4.785 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760372610 POBUAMMSRSBFSC-HSZRJFAPSA-N 440.979 4.525 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1760385454 REQHINVNPRFUCS-UHFFFAOYSA-N 433.604 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760410362 BKXRXYJEVQSNNV-LJQANCHMSA-N 435.576 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760413505 KFUFBXVVMFUMNN-QFQXNSOFSA-N 438.616 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1760413778 UEFABYJQYGSWGX-LJQANCHMSA-N 441.576 4.645 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCOC(C)(C)C 1760434019 QDSMSHOHTKKERI-UHFFFAOYSA-N 427.412 4.987 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1760448327 ZNELHIUKZVXXRX-PMACEKPBSA-N 445.007 4.834 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2cccc(F)c2)CC1 1760454536 NEGGFLPTIOQXPO-UHFFFAOYSA-N 430.325 4.529 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC[C@H]1C[C@H](F)C1 1760477955 PNRBTPFCAKTLAL-KCZVDYSFSA-N 428.552 4.859 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1cccs1)N1CCCC1 1760493697 LEDHGWHVGVWXDI-WOJBJXKFSA-N 427.618 4.597 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc(Br)cc1 1761541863 CMEWTLCAPRVXFP-OAQYLSRUSA-N 430.394 4.711 30 10 IJEE CCc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NNc4ccc([N+](=O)[O-])cc4)C2=O)C3(C)C)cc1 1772722504 YNFDNKSYCZNFIA-LOSJGSFVSA-N 448.523 4.959 30 10 IJEE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)cc1 1772749883 UGKFLOOOJYSEGP-UHFFFAOYSA-N 436.439 4.885 30 10 IJEE C/C(C=NN=C1NC(=O)[C@@H](CC(=O)c2ccc3c(c2)CCCC3)S1)=C/c1ccccc1 1772759906 FIRIWSVVOGKCKR-GIESGINGSA-N 431.561 4.815 30 10 IJEE C=CCNC(=O)[C@H](NC(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccccc1 1860949553 NDHVLPHVLYBRLC-JOCHJYFZSA-N 444.922 4.657 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cccn(CC(C)C)c1=O 1861285378 ZCBDRSZSPLETTQ-JOCHJYFZSA-N 433.637 4.660 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc(F)c2)cc1 1862390766 LRRQJCGUADXJJQ-HSZRJFAPSA-N 439.527 4.909 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1862442258 CVLXHWQCNMMEDL-BMLIUANNSA-N 440.710 4.606 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862474793 VGJSJRNCXCJBQF-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(Br)c1 1862647128 VZTSPQFKNCHBTB-GOSISDBHSA-N 448.288 4.585 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 1862663469 RUBPMQPQLOLAEN-XMMPIXPASA-N 442.515 4.992 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCCCN1CCCC1 1862673014 AMWSUSMISOAKPQ-HSZRJFAPSA-N 436.527 4.588 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)cc1 1862937984 AGZWXKDDOFZBAH-UHFFFAOYSA-N 429.426 4.795 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cc(C)ccc3C)C2=O)cc1 1863329819 LKNVHBARKFTCLT-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccc(OC)cc2)C1=O 1863797872 DDZPYZFUVXJCMQ-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE CCCCCCCCC(=O)Nc1nc2ccc(S(=O)(=O)NCC(C)C)cc2s1 1866090558 XSBKWTOFFCKCCL-UHFFFAOYSA-N 425.620 4.920 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C 1868993885 GZYPESVZJXPZRY-JOCHJYFZSA-N 437.584 4.801 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCN(C)C)C4)cc1 1871346597 NMIZZRNCSCZFEM-JLPGSUDCSA-N 449.595 4.561 30 10 IJEE C=CCOc1ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc2c1 1871414519 LTVHLDQYTHQBSB-UHFFFAOYSA-N 425.234 4.894 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871870217 KFGCFWLMBOUFPI-LBPRGKRZSA-N 447.771 4.851 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871940541 HWTZALKPNLHLKR-ZDUSSCGKSA-N 445.343 4.727 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(OCC)cc1 1871972174 DZRQXERFWJYOIT-JOCHJYFZSA-N 448.560 4.599 30 10 IJEE CCCCCCCCCCN=c1nc2c(cnn2-c2ccc(Cl)cc2)c(NCCO)[nH]1 1873489449 FORKLXTVDQYPIZ-UHFFFAOYSA-N 445.011 4.848 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OC)c(OC)c1 1874371511 CSRCIUDFRJSSKO-LPYMAVHISA-N 428.583 4.692 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)OC)cc1 1874409103 GDVAVZJVBQWLIK-LFVJCYFKSA-N 444.601 4.727 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)o1 1874428069 QBXKXTMNSRONCZ-BUVRLJJBSA-N 432.505 4.889 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)N(CC)CC)nnc1C1CCCC1 1874451723 NBRLTRUVDSVGFU-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874507823 WZOCSDJEVNLGPW-ZMOGYAJESA-N 440.569 4.745 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)c1 1874594235 ZLNMQKYBWJCEPK-ACCUITESSA-N 431.488 4.926 30 10 IJEE CCCOc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1[N+](=O)[O-] 1874639898 TZGTWFUUEAKTAJ-CSKARUKUSA-N 445.468 4.704 30 10 IJEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 1875165703 VAKOOLLHVKCYDL-CXUHLZMHSA-N 432.472 4.943 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccc(OC)cc3)ncnc2n1CC(C)C 1875210906 ZIIWIPWCDLMZKI-UHFFFAOYSA-N 433.556 4.522 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2ccc(C#N)c(Br)c2F)C1(C)C 1885858125 KGYFWKKQNQYXEC-GXTWGEPZSA-N 426.330 4.811 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)c1ccccc1 1901483999 UUBKSJLSTOFYQS-JWQCQUIFSA-N 439.515 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)[C@H]1CCCCN1C(=O)OC(C)(C)C 1922085490 IXJSRCBOEFTKKK-MVERNJQCSA-N 446.632 4.668 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@H](O)c1ccc(Cl)c(Br)c1F 1922086020 NDUGMNYEBRCEOD-RBUKOAKNSA-N 428.729 4.636 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C 1949547849 LMSFFKMVERVROD-FGZHOGPDSA-N 434.621 4.836 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1nc(C(C)C)[nH]c1Br 2087656246 XAYQTUSVNXURGT-KBPBESRZSA-N 429.403 4.806 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1c(F)cc(Br)cc1F 2114281626 PNSGUIGCGJBBCK-SWLSCSKDSA-N 431.277 4.708 30 10 IJEE C[C@@H]1C[C@H](CNc2cc(Br)cc(F)c2C#N)CN(C(=O)OC(C)(C)C)C1 2115930612 ZOLCYQJJWFVSLZ-CHWSQXEVSA-N 426.330 4.765 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(OC)c(Br)cc1N 2137749371 JIXPQBUPMUEKGM-LJQANCHMSA-N 429.355 4.526 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CN(c2cc(Br)cc(C#N)c2)C2CC2)C1 2174811691 BGZVCRDOBHGKQH-OAHLLOKOSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](CN(c3cc(Br)c(C#N)cc3F)C1)C2 2176930665 MGILXANLMHCOSH-XCLFUZPHSA-N 438.341 4.591 30 10 IJEE C=C(C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221677742 MWZAPZLCWNLZKE-INIZCTEOSA-N 426.427 4.888 30 10 IJEE C=C([C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221691137 LGZQLDFNYDVMMZ-IRXDYDNUSA-N 427.459 4.646 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@@H](O)C#Cc3ccccc3Br)cc21 2235731734 MHDQLFNLJLRLAR-FQEVSTJZSA-N 428.326 4.832 30 10 IJEE C[C@@H](C#N)C1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CC1 2236698725 GQYGJCSFIHHWHT-ZDUSSCGKSA-N 436.350 4.808 30 10 IJEE Cc1cnc(N[C@@H]2CN(Cc3ccccc3)C3(CCCC3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241077286 WSKPTVFGABBEDY-QFIPXVFZSA-N 447.432 4.688 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CCCCCNC(=O)OCc1ccccc1 2264171193 BCPMUEKJNRAPDS-QFIPXVFZSA-N 443.385 4.875 30 10 IJEE C=CCC1([C@H](Cc2c(F)cccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2274035814 XFUMCNZKINFAFM-KRWDZBQOSA-N 427.358 4.532 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(CNC(=O)OC(C)(C)C)cs1 2278796940 QMJIHYFJXGEQOC-QGZVFWFLSA-N 435.387 4.848 30 10 IJEE C=CCOc1cc(Br)c(C=C2NC(=O)N(c3ccccc3)C2=O)cc1OCC 2294061342 VYUOEKGELMLOBI-UHFFFAOYSA-N 443.297 4.510 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2296223943 FPPBZPWXEXVNDO-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@@H](O)C#Cc2cccc(Br)c2)C1 2296231149 ANKNZTKPAYWTQI-HKUYNNGSSA-N 436.390 4.835 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC=CCC1 2296274703 VUDCOAQCUTTWJS-SXLOBPIMSA-N 433.390 4.638 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296602943 RMFMILGTAWRSEC-QFIPXVFZSA-N 432.476 4.705 30 10 IJEE COc1cccc(NC=C2C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)c1 2296957065 HMTZOMCIURBNTF-UHFFFAOYSA-N 440.546 4.551 30 10 IJEE N#Cc1cccc(Sc2cc(I)ccc2Br)c1N 2316465522 MPOVGALFTXVGHD-UHFFFAOYSA-N 431.096 4.659 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CC(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317313021 PZPOAFLGBHOZFL-UHFFFAOYSA-N 429.370 4.584 30 10 IJEE CC(C)=C(CN1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2317855304 WJWGFRQRIGWZEV-HXUWFJFHSA-N 438.343 4.703 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2c(F)cccc2Cl)o1 2320849937 XFCFMRZZMZNZQY-UHFFFAOYSA-N 434.880 4.502 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C 2321346018 VPVLGNMWEAUMAI-ZYLNGJIFSA-N 447.572 4.655 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(C[C@H]1COc3ccccc3O1)CO2 2322436877 XGARVXRHUGSMFI-FQEVSTJZSA-N 441.483 4.603 30 10 IJEE CCCOc1c(C=NNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cccc1OC 2322611762 KAGFSGPAOKBJPM-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC 2323097825 IGSMJGSJGJNNPT-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cc(OC)ccc2OC)cc1 2324014317 GVUKRXCVBQWRJY-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)cc2)c1 2324383356 MOOHEPOBHKKIJV-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1cc(OC)ccc1OC)C2=O)C(=O)O 2324781175 LWWCPMBNBHHMJD-LJQANCHMSA-N 426.465 4.651 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2327756039 PJFREGJPTJILOB-SYUUKGODSA-N 442.600 4.992 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2cccnc2)c1 2328615327 RZRVHFISELLQLB-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2O)cc1 2330647974 TWPHGJKYUOHAHH-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2330742260 PEDABKCPGXKZMA-UHFFFAOYSA-N 439.560 4.525 30 10 IJEE COCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 2331239906 RSQVDYJBQXZBLV-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)cc1 2331276262 APUFCDGUAFBVPI-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cccc(F)c1 2331351871 IUQYLMNEPXJKRC-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331553121 ZXQGPBHRUYPIEH-UHFFFAOYSA-N 444.821 4.841 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339574452 IFYKHMCRFRIUBN-KQDNUWKFSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC(Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2339593866 LXAXOEFYZHGKEL-ZHACJKMWSA-N 441.381 4.538 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339606026 LNWBSBQNFFYDDM-LJQANCHMSA-N 444.381 4.656 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CCC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2342471462 RQTUXRZHSMIVQV-SFHVURJKSA-N 444.381 4.661 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2358672060 RIJCJVOUILMNDI-GGPKGHCWSA-N 435.406 4.862 30 10 IJEE COc1nc(Oc2cc(Cl)ccc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2365383300 RYWGDLGVRYJRFJ-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE Cc1cc(CN(C)Cc2cscc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369732773 GSUVOOVOPCVPPZ-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE C[C@@H]1CC(OCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C[C@@H](C)S1 2377327365 RKCUCAMIZDEJGJ-ZIAGYGMSSA-N 441.240 4.938 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)c1 2423218 RAJVSJNLLWXBMG-JOCHJYFZSA-N 431.419 4.835 30 10 IJEE C=CCC(CC=C)(CNC(=O)C(=O)Nc1ccc(Br)cc1)c1ccccc1 16856858 IIZGTLDAHCEJBQ-UHFFFAOYSA-N 427.342 4.594 30 10 IJEE CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NC[C@H]2CCCO2)cc1 22690746 JDXZWJXLOLYEKC-MRXNPFEDSA-O 438.400 4.551 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCOC)c1 39910404 LGGQQVGYNQGFLR-JOCHJYFZSA-N 433.504 4.556 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 41287567 JMTOHNJTOUBIIX-UCQKPKSFSA-N 429.472 4.905 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 41502253 LFZDOZDGIZZMCI-OYKKKHCWSA-N 429.472 4.734 30 10 IJEE CC(C)[C@H](C#N)C(=O)Nc1c(Br)cc(Br)cc1Br 44814389 AUZYCBHYQQFQNF-QMMMGPOBSA-N 438.945 4.708 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95074522 GYSFSXCLPORYDU-NRFANRHFSA-N 445.567 4.792 30 10 IJEE CCc1cccc(NC(=O)CN2C(=O)CS/C2=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 96515377 QGUVAJBTLUJLIH-ZVHZXABRSA-N 436.577 4.785 30 10 IJEE CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCc1ccccc1F 103730799 HQGIVXWNDFPRQU-NVNXTCNLSA-N 434.261 4.882 30 10 IJEE CCCCN(CCCC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccco1 136329356 VJBPJZXTHUQNPF-ZHHPLPSFSA-N 438.568 4.994 30 10 IJEE COc1cc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc(Br)c1OC 137157035 YRUZYQZHQFMAKI-YVNNLAQVSA-N 447.358 4.541 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(C)C 169902140 TXZJBQRKICONOE-BUVRLJJBSA-N 432.586 4.791 30 10 IJEE CC(C)Oc1ccc(/C=N\n2c(S)nnc2Cc2cccs2)cc1Br 169914004 WIZAVLVDDGENAO-GRSHGNNSSA-N 437.388 4.651 30 10 IJEE CCOc1cc([C@H]2NC(=S)NC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 169939066 AYWGOVCEAJMGBF-JOCHJYFZSA-N 442.968 4.844 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 169975758 ASTACKXUCXQNDL-NRFANRHFSA-N 440.971 4.777 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccncc2)cc1 170027163 SJZYPQXQCRXHQJ-QFIPXVFZSA-N 438.487 4.612 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)c(C)c1 170047770 ZFICQQHPJDXCKG-XMMPIXPASA-N 442.515 4.853 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2)c1 170048251 UNZLVXQPGSWMDJ-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1C 170131840 KWXOYQADGDEHRP-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3cccs3)ccc2O1 170155540 LJZTWFUEJGUJIC-ASSNKEHSSA-N 435.476 4.994 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccs2)cc1 170160023 UNCCFXOJVDKOHQ-NRFANRHFSA-N 435.501 4.938 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@@H]1c1ccc(C)o1 170309424 PTUSEVJQVXSKSR-SFHVURJKSA-N 448.313 4.738 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(F)cc1 170313922 BGGWWJACFQYQNH-GOSISDBHSA-N 438.436 4.887 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1sccc1C 170316640 YMRHXQDRBXCNEV-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE CCCCCCCCNC(=O)C(=NOC(=O)Nc1cccc(C(F)(F)F)c1)C(C)=O 254445069 UQQNVHPTNYVSAL-UHFFFAOYSA-N 429.439 4.676 30 10 IJEE COCCN=c1scc(-c2ccc(F)cc2)n1N=Cc1ccccc1Br 254772766 FYDRKLSGNBUKJM-UHFFFAOYSA-N 434.334 4.548 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H](C)Cc1ccc(O)cc1 460776429 CJFLPQNKVNRJTR-GOSISDBHSA-N 438.597 4.928 30 10 IJEE C=CCN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1nc(C(=O)OCC)cs1 501941758 JVORUCJAUNBVMT-UHFFFAOYSA-N 445.928 4.780 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 508884251 GGCYQSGWMYZMLA-JMBSJVKXSA-N 448.542 4.815 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCCCC)CC1 514616420 CYSGWGUEBYYRHQ-UHFFFAOYSA-N 444.023 4.621 30 10 IJEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 526489649 ALVUQHCRSIHHMK-QFIPXVFZSA-N 427.416 4.538 30 10 IJEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)c1 526744315 LYEFSTGREXZTKM-QFIPXVFZSA-N 449.409 4.673 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1c(C)n(C)c2ccccc12 526825601 AOMOBFPAQLOIHA-QFEZKATASA-N 447.564 4.602 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 531282337 QQVAUVXKMCJBQC-UHFFFAOYSA-N 428.536 4.635 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 556386447 FPCWVWZQQOCSLP-QHCPKHFHSA-N 447.922 4.533 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1-c1ccc(Cl)cc1 610090691 DYEYWADOOPQWFB-SFHVURJKSA-N 445.954 4.866 30 10 IJEE N#Cc1cnc2c(F)ccc(F)c2c1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 610275910 CWHXAJGFJHCKHL-IBGZPJMESA-N 438.865 4.990 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@]3(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698816615 QPFKQSOSCFMUGV-QTPFTQAWSA-N 431.577 4.704 30 10 IJEE CCOc1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OCc1ccccc1 730587740 AUSGPMURDSFVRY-FLIBITNWSA-N 429.472 4.891 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 731399829 GEQCWCYMZJMITR-SJORKVTESA-N 432.590 4.849 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C3CCN(c4nc5ccccc5o4)CC3)c2)s1 739589475 AHXSLMSUKCDORQ-UHFFFAOYSA-N 442.544 4.961 30 10 IJEE C#CCCCNC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 744370292 IKTOIWYADUVMBW-UHFFFAOYSA-N 446.395 4.743 30 10 IJEE Cc1cc(Br)c(O)c(C=Nn2cnnc2SCc2ccc(Cl)cc2)c1 781584901 CAVJMEXAQUZGCE-UHFFFAOYSA-N 437.750 4.883 30 10 IJEE O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCOCC2CCC2)C1=O)Nc1ccccc1 790720545 KPNCDSGZRSWNKF-IBGZPJMESA-N 443.594 4.525 30 10 IJEE C=CCOc1c(Br)cc(/C=C2\S/C(=N/CC)N(CC)C2=O)cc1OCC 1084293921 BGGVSADVZOMVDG-ROLOMRMFSA-N 439.375 4.725 30 10 IJEE CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1125115899 ABTUXEGISKSWAH-OAQYLSRUSA-N 431.502 4.736 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](Oc2ccc(Cl)cc2C)c2ccccc2)c1 1125294320 PNJQPHGWMQZQJE-XMMPIXPASA-N 432.907 4.505 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(CCc3ccccc3)ccn2)CCCN1C(=O)OC(C)(C)C 1126662082 CJOCWQDDPYMRQC-AREMUKBSSA-N 433.552 4.598 30 10 IJEE C=CCN(C(=O)[C@H](C)c1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1128110884 FVLIGEGKOWOWRS-UTKZUKDTSA-N 444.369 4.742 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1(c2ccc(I)cc2)CC1 1129664444 WSQWFELVMIQEBO-LJQANCHMSA-N 431.317 4.626 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 1136611022 WMNSYILJMJNKJY-QZTJIDSGSA-N 434.968 4.802 30 10 IJEE C#CCN(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)OC(C)(C)C 1141625938 WFEIEMVXKBICHS-FQEVSTJZSA-N 437.927 4.804 30 10 IJEE C=C(CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccccc1 1141790772 AJTHDRPRLSSSKO-UHFFFAOYSA-N 444.915 4.723 30 10 IJEE C[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H]1CNC(=O)OC(C)(C)C 1141802854 GDBKLECPUYCKJK-WIYYLYMNSA-N 448.567 4.925 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1163097222 UCBLUWJBCBASNV-NIYFSFCBSA-N 438.527 4.652 30 10 IJEE N#Cc1ccc(N2CCN(Cc3ccc(Br)c(Cl)c3)CC2)c(Cl)c1 1193897387 BQSXLXYSSAYBFL-UHFFFAOYSA-N 425.157 4.950 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)C2(CO)CCCC2)n(C2CCCC2)c1C 1194930521 FJRTYAYQMDXTRU-VWLOTQADSA-N 448.611 4.914 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] 1206203388 PAKWOXFMUUTDJL-ZDUSSCGKSA-N 434.290 4.847 30 10 IJEE CCCN([C@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1208574190 CYTLZWDHENXGTQ-CQSZACIVSA-N 426.460 4.748 30 10 IJEE C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1ccc(C#N)cc1Cl 1211083211 CNDGDFGMLGTKSW-MZNJEOGPSA-N 436.964 4.979 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1214886403 ZXSZSMRXQFTEDU-UNMCSNQZSA-N 445.922 4.916 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1)c1ccc(Cl)cc1 1230488565 AHQCWAKOPVLUKE-NHCUHLMSSA-N 431.964 4.637 30 10 IJEE C#C[C@H](NC(=O)N(C)CCOc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F 1252479432 MWXYTCDTCJCGGY-SFHVURJKSA-N 428.813 4.893 30 10 IJEE N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1260317770 RKZWYNJIUPJDJK-UHFFFAOYSA-N 428.863 4.605 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnc(F)c1F)c1ccc2c(c1)OCCO2 1264221490 WEERQNAYGLICBJ-UHFFFAOYSA-N 438.430 4.543 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Br)c(C)cc1OC 1264281161 VVOXMJNHOYLOOS-UHFFFAOYSA-N 449.297 4.509 30 10 IJEE C=CCN(C(=O)C[C@H](C)c1ccco1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1264307825 PADXHTCNDBKLIF-HNNXBMFYSA-N 430.551 4.519 30 10 IJEE C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1266542638 DDYFYZPFMXWACQ-LBPRGKRZSA-N 434.805 4.822 30 10 IJEE C#C[C@H](NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1 1277180423 DLZISYXTMKENSB-IBGZPJMESA-N 445.569 4.788 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCc1nc(C(C)(C)C)cs1 1286302710 NULNPHHWZFPALE-SFHVURJKSA-N 446.624 4.736 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286317890 QBJCURYJLKVTFE-AEFFLSMTSA-N 432.399 4.728 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCSc1nccs1 1286366130 UWYOAXOJHVPGKG-HNNXBMFYSA-N 443.667 4.840 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1286499661 NVAPYGXOXYLPIO-FPOVZHCZSA-N 449.624 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)CCC 1286517388 GPIZFJJFMXHPHZ-FGZHOGPDSA-N 445.405 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1CCN(C(C)C)C(C)C 1286518932 NANWSLVWNNWUIB-AREMUKBSSA-N 433.644 4.859 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](C)(C(N)=O)C1 1286666875 GNHUMFRLQHLCTC-XMMPIXPASA-N 441.645 4.580 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@H]1N(C)CCCC1(C)C 1286763378 IGBKZRMUKZYXGN-HSZRJFAPSA-N 433.600 4.894 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@](C)(O)C1CCCCC1 1286763387 YLQFYJIOJPTAHM-BVAGGSTKSA-N 438.616 4.696 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(F)(F)CC1 1286826640 OIIATJZQBVPAHV-UHFFFAOYSA-N 443.361 4.862 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)c1ncc(C)s1 1300591725 WSPNGHTYWXRHRQ-FQEVSTJZSA-N 447.608 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1300790740 VYDZBSFXUUAOTH-DNQXCXABSA-N 438.959 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1csc(CC)n1 1300880469 IVOXUYAREBKHST-IERDGZPVSA-N 441.576 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(CC)Cc1ccc(Cl)s1 1300884178 IJIWNMQOTJHCSY-BXWFABGCSA-N 437.009 4.505 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1300944695 DREBUTPXMFBEHM-INIZCTEOSA-N 439.585 4.817 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCOC2)CC1 1301105707 MJINPWXROXDAQP-IEBWSBKVSA-N 430.980 4.901 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 1301166000 NXTPMKHKHRFHSL-REWPJTCUSA-N 449.643 4.894 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(F)(F)F)cc1 1301168959 XRIDUUGQNNQRQX-UHFFFAOYSA-N 449.521 4.764 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCC(F)(F)F 1301241620 UIRIYZGGLPENCM-UHFFFAOYSA-N 447.299 4.689 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1301249568 USLGVFLJMPLBJE-UHFFFAOYSA-N 446.599 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)N(C)C1CC1 1301379585 PAYJITOVWWSGBG-HNNXBMFYSA-N 448.384 4.508 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)C1 1301428832 YHMSISKMSHEZMG-UQBPGWFLSA-N 444.575 4.812 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301445518 BFXMHQVVDGZEPM-LPHOPBHVSA-N 438.494 4.712 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 1302982238 HJCSWSSHFVHPRV-MOPGFXCFSA-N 428.462 4.850 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 1304481564 GHBDAKKGKFPQLN-UHFFFAOYSA-N 444.583 4.547 30 10 IJEE O=C(c1ccc2nc(O)n(CC(F)(F)F)c2c1)N(O)Cc1cc(Cl)cc(Cl)c1 1306893550 LUPUTCJZPOQLTQ-UHFFFAOYSA-N 434.201 4.643 30 10 IJEE COc1ccc([C@H](C)CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1315368595 HCNWHAHSMCSSQH-QNIAMRLHSA-N 437.588 4.852 30 10 IJEE C#CCN(C(=O)COc1ccc(C(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 1353635451 SSZKKGMLMKISGN-NRFANRHFSA-N 442.353 4.937 30 10 IJEE C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@@H](C)O1 1357218832 CLGCIEXRGBGZRN-IAGOWNOFSA-N 441.959 4.622 30 10 IJEE Cc1nc(NC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)sc1SCC#N 1357418119 IBWZBTKMYVJXPL-UHFFFAOYSA-N 427.530 4.523 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1358912825 ZHRGJGVDAIYXRS-IBGZPJMESA-N 428.602 4.690 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1nc(C(C)(C)C)cs1 1359012309 HQAOJUIQOPWXGJ-UHFFFAOYSA-N 432.597 4.543 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359135226 WLVWHKGYMLLOBM-SANMLTNESA-N 436.600 4.797 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cn(CCCC)nc2C)CC1 1359167461 HAIPUHOKLMYHBH-UHFFFAOYSA-N 448.615 4.582 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](OCC)C1 1359210633 BFWLNFCLASXWFG-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCSC1(C)C 1359254911 HUGOIVVUSXLRSW-WOJBJXKFSA-N 442.629 4.515 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1Cc1c(C)coc1C 1359254935 IFBKOXDCVBOEDL-UHFFFAOYSA-N 443.551 4.723 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCc1sc(C)nc1C 1359277575 QAHGPQZEOLEDSQ-UHFFFAOYSA-N 448.596 4.793 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@H](c1c(F)cccc1F)N(C)C 1359926175 FFYPFUOKTHUNDL-FQEVSTJZSA-N 446.590 4.923 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1 1435306135 FEZBAUHAXUTOQB-JPYJTQIMSA-N 425.488 4.583 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1447761546 YQGGXIVIKQYMCL-JOCHJYFZSA-N 440.540 4.798 30 10 IJEE C#C[C@@H](NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccc(F)cc1 1450082211 RGBIPPLRWAHKNY-TZIWHRDSSA-N 439.531 4.731 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)C1(CO)CCCC1 1452443512 ZELQXYCGIXICQB-RTWAWAEBSA-N 430.589 4.646 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(-c2ccncc2)cc1 1457339284 AWULNYXLEZZGKY-IIBYNOLFSA-N 444.922 4.504 30 10 IJEE N#Cc1cc(F)cc(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)c1 1462169060 DZANDNBMFWRFHJ-UHFFFAOYSA-N 439.288 4.777 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCCC(C)C)c(OC)c1 1464272402 VOHWBGMAXGAEEC-QUCCMNQESA-N 446.588 4.604 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)C1CCOCC1 1464955589 QUQBTZCQNICUBH-HXUWFJFHSA-N 429.314 4.791 30 10 IJEE Cc1cccc(Oc2ccccc2NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1465098621 BWRLDPXDCSUURX-PXNSSMCTSA-N 436.512 4.668 30 10 IJEE C=CCN(C(=O)c1cc(C)n(Cc2ccco2)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1466895100 XQKNJGBVALCVLJ-XMMPIXPASA-N 434.536 4.549 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N3CCCC[C@@H]3COC(=O)N3CCCCC3)c2)cc1 1467885865 IEENGXPWFAPGJT-XMMPIXPASA-N 446.551 4.919 30 10 IJEE CCC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCN(c4ccccc4C#N)CC3)sc2C1 1476567588 BOVWCVSGLXQDSC-SFHVURJKSA-N 437.613 4.910 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCC3(c4ccc(Br)cc4)CC3)cc21 1477134875 PCSWDWYKLCZMAN-UHFFFAOYSA-N 425.330 4.838 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1)c1ccc(Cl)cc1 1478757473 UVENDLYOUQBWGQ-HSZRJFAPSA-N 432.907 4.871 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)C1 1479407574 MMFPHBLYLXJKAH-QYXIYQDXSA-N 427.589 4.609 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1ccco1)N(CC)CC 1507521731 BIUNRBQMKNMXGP-QUCCMNQESA-N 431.540 4.825 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1coc(-c2cccs2)n1 1507526396 GVSVMASOCSJDIM-CYBMUJFWSA-N 441.919 4.960 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1507542564 LQTBVJXHMHJICO-AWRGLXIESA-N 438.616 4.773 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507548076 ZGUGKFHYWDOTSO-WAOWUJCRSA-N 442.579 4.684 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCCC[C@H]2C1 1507556377 LQWBMQAXSVGDSZ-SFHVURJKSA-N 432.399 4.730 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnc(C(C)C)nc1 1507570427 OKDRSKRKDSKQMW-UHFFFAOYSA-N 441.583 4.634 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1507578530 ZDXKYCWHRWEOPB-UHFFFAOYSA-N 446.580 4.658 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCCN1CCCC1 1507644963 SHQAPGMBUVSNPN-UHFFFAOYSA-N 444.410 4.591 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](CC)OC 1507660183 OABLRZTVSJOYLX-TZIWHRDSSA-N 442.991 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CCCCC1 1507798792 UHNJNDNFGYMIMH-IRLDBZIGSA-N 439.560 4.851 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1507879012 NVMVTQIVTTYSMY-UHFFFAOYSA-N 446.599 4.830 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1507927888 FZZOTCAHDLVKMZ-XMMPIXPASA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C 1507937457 QKIRKVDMMSINIS-MOPGFXCFSA-N 447.624 4.710 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCC1CC1 1507954609 OOUXJODEDWCNOU-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N(C)C 1508008050 BAVHBWYZRFKFCQ-INIZCTEOSA-N 446.020 4.811 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1CCc1ccc(Br)s1 1508014299 TYTLHTPSDGMFRD-UHFFFAOYSA-N 430.375 4.585 30 10 IJEE Cc1ccc([C@@H](Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)CC#N)N2CCCC2)cc1 1510720267 FMUDMWOTQJYELG-XUZZJYLKSA-N 434.632 4.895 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(F)(F)F)s1 1511424143 CVNVMIIWULDGDC-ZDUSSCGKSA-N 434.491 4.774 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)C)c1ccco1 1515523308 GKISWIHDCIHVNC-OAQYLSRUSA-N 434.588 4.975 30 10 IJEE C=CCN(C(=O)c1csc(-c2cccs2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1516155280 HQQVVHXWBMXCLV-GOSISDBHSA-N 426.563 4.674 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)C(F)(F)c3cccc(Cl)c3Cl)CC2)nc1 1519792988 BJVNKIGOIXEQJD-UHFFFAOYSA-N 440.277 4.858 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccn3ncc(Br)c23)c1 1520376864 ADASDUKSBNEQJY-UHFFFAOYSA-N 436.334 4.987 30 10 IJEE C=C[C@H](CC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)c1ccccc1 1523011725 JBWGITWHVFDBBK-MJGOQNOKSA-N 438.593 4.834 30 10 IJEE N#Cc1ccc(OCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1Br 1524606222 GBFFACHEADOZCN-JOCHJYFZSA-N 435.321 4.800 30 10 IJEE C=C(CNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccccc1 1527972760 LLNOPQRZOOTDJT-UHFFFAOYSA-N 432.501 4.991 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4cc(Cl)cc(Cl)c4[C@@H]3C)cc2C1=O 1532214832 CMQUZJBOPVMXIF-LBPRGKRZSA-N 429.303 4.535 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)c1ccccc1 1537452866 LXXLSTMACFQECK-HKBQPEDESA-N 432.545 4.778 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(F)c(F)c1 1537693227 ZJJLZRVPIFOLOM-JLTOFOAXSA-N 449.295 4.514 30 10 IJEE C#CCN(C(=O)c1cc(C2CC2)cnc1Cl)[C@H]1CCOc2ccc(Br)cc21 1538198130 FZZJQGJJTINRSV-SFHVURJKSA-N 445.744 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1539651678 IZJSODOCJXNGBR-BKSPAHHJSA-N 448.652 4.562 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1539735271 MKLKJJKRGVGBMH-UHFFFAOYSA-N 431.540 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nc(C(C)(C)C)cs2)CC1 1539840268 PZKOUPNAWQOCTI-UHFFFAOYSA-N 428.993 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1539900009 DXRAMQRJJQWZQB-RUZDIDTESA-N 434.588 4.880 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC(=O)NC(C)C 1539909029 GCNYUSMZWFRZDZ-UHFFFAOYSA-N 438.403 4.815 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(OC2CCCCC2)c1 1540058220 RWJXATHCVGLFKT-UHFFFAOYSA-N 438.963 4.771 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCCC(C)(C)C1 1540058292 TXBARPHOBUXOEV-UHFFFAOYSA-N 449.599 4.861 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)C 1540088617 OKCRIXBKUQMFNR-PGRDOPGGSA-N 430.618 4.652 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1CCNC(=O)OC(C)(C)C 1540180536 QRFFWSVTTRKQRZ-UHFFFAOYSA-N 439.604 4.696 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@]2(CCOC2)Oc2ccccc21 1540301191 DCPADJZWDXLRTB-AVRDEDQJSA-N 433.426 4.683 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1543714331 KALXWWSEHSSTAF-HNNXBMFYSA-N 442.478 4.618 30 10 IJEE CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1544479286 CXUPHHHVUBRSRY-DEOSSOPVSA-N 425.532 4.660 30 10 IJEE C=CCC[C@H](C(=O)N1CCC2(CC1)CO[C@H](CNC(=O)OC(C)(C)C)C2)c1ccccc1 1558622487 BSICGKSHGNWORI-VXKWHMMOSA-N 442.600 4.659 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCCOc1cccc(Br)c1 1559380693 MYFMQQGNXYXROH-UHFFFAOYSA-N 446.370 4.977 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2cccc(F)c2)C2CC2)n(Cc2ccc(F)cc2)c1C 1559489681 BBMCYOBGFZMUAA-UHFFFAOYSA-N 448.517 4.906 30 10 IJEE C=CC1CCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 1559542232 NTKDFEMDGAWAOW-UHFFFAOYSA-N 431.458 4.794 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2ccc3[nH]ccc3c2)Cc2cccs2)c1 1560040594 VAWFKXPGQJKMFO-UHFFFAOYSA-N 442.544 4.561 30 10 IJEE CC(C)c1ccc([C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(C)C)cc1 1563611786 FWNFGMFOWIEZGK-BJKOFHAPSA-N 432.568 4.874 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(Cl)cc1 1563701463 ZKDMISBBZSVQRN-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE C=CCCCCCCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1564727462 SGKKPCCZVMJGSU-SJORKVTESA-N 435.531 4.858 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 1564913466 LQHFCLBUWGHXND-NRFANRHFSA-N 446.378 4.648 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C 1565445039 QWMIEPKWQUONMG-OAQYLSRUSA-N 447.624 4.731 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CCCN1C(=O)OC(C)(C)C 1583860213 BJQDYHGGYQIOAP-IBGZPJMESA-N 447.885 4.716 30 10 IJEE C=C[C@H](OC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccccc1 1587284007 ZZACARBYGUKUSB-NRFANRHFSA-N 428.517 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN(C)C1CCCCC1 1587621240 PVXFBEOCUPKNDH-HXUWFJFHSA-N 446.599 4.713 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCC[C@@H]1C 1587921708 GQQZWAONKSNRKJ-NRFANRHFSA-N 444.627 4.687 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC=CCC1 1588200138 DRYOUPHWTPVCKR-QGZVFWFLSA-N 441.348 4.666 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(C)(C)C)C1 1588983668 BICSNPQANHDJGZ-ROUUACIJSA-N 430.593 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1589547336 UGAAYAZKDVTBIW-PFEPKHINSA-N 432.971 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC(C)(C)C1 1589558495 LDJDXBXKNQOQFX-URXFXBBRSA-N 438.616 4.680 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(Cc2cccs2)CC1 1593889154 BSAHAUVMRXGCAB-UHFFFAOYSA-N 448.423 4.659 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCOC(C)(C)C)CC1 1594014826 WLGWIIJRYCXQIL-IBGZPJMESA-N 428.577 4.788 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2csc(CC)n2)CC1 1594241463 RAMGPWZYLSULMT-UHFFFAOYSA-N 443.567 4.811 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2ccc(OCc3ccccn3)cc2)CC1 1594241502 SEMRPQSXLCAUFY-UHFFFAOYSA-N 431.584 4.901 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C(C)C)C1 1594497673 LTYPNGRLKKBESU-RTWAWAEBSA-N 442.629 4.971 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1594986292 SNOATMQQSPPEHM-WIYYLYMNSA-N 427.643 4.697 30 10 IJEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCC1(F)F)C1CC1 1595071040 WMWFYUSPNVOXJJ-QGZVFWFLSA-N 432.515 4.846 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCCCCC1 1595075260 BTICECGIAVCJRR-UHFFFAOYSA-N 435.572 4.560 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccco1 1595076240 YOQOGAHYBIPZID-VWLOTQADSA-N 436.556 4.638 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1595335485 RJCAXMNIQFQDPL-OAHLLOKOSA-N 439.551 4.534 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1595844422 BLUNVAYAUHUNTJ-PKTZIBPZSA-N 440.657 4.992 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCSC2)C1 1611768834 DTIYKEJBXASWPD-PGRDOPGGSA-N 430.021 4.796 30 10 IJEE C=CCN(C)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(NCCCC)nc3[C@H](C)[C@H]2[C@@H]1O 1616132389 DNQGGGGKIZJULK-HCTAVXMOSA-N 433.662 4.689 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)cc1 1624991907 ASUIXPOOUYXIHH-HXUWFJFHSA-N 434.561 4.555 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1625685294 DYPYPMFJMDZWPI-FQEVSTJZSA-N 435.524 4.818 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](O)c1cccc(C(F)(F)F)c1 1627692298 MIFOLNSJYMXRRL-QGZVFWFLSA-N 446.238 4.855 30 10 IJEE C=CCn1c(SCC(=O)NCc2cc(O)ccc2Cl)nnc1-c1ccc(Cl)cc1 1633283881 BSYORMNORYELAW-UHFFFAOYSA-N 449.363 4.552 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1635191243 DXXAPPOGMMPHCV-SFTDATJTSA-N 442.918 4.804 30 10 IJEE C=CC[C@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1ccccc1 1636979414 NMQOCMNAMSAAJO-PMACEKPBSA-N 425.878 4.994 30 10 IJEE C=CC[C@@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1ccccc1 1636979415 NMQOCMNAMSAAJO-UXHICEINSA-N 425.878 4.994 30 10 IJEE C=CCN(C(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 1637063965 DNZOHPQPJQZCEJ-RTBURBONSA-N 448.592 4.555 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)C3(c4cccc(Br)c4)CCCC3)CCO2)c1 1637815970 ADIVVZYFDYGKJS-OAQYLSRUSA-N 439.353 4.733 30 10 IJEE CC(C)C[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccccc1 1642456629 DPXDPNWKNNJPQK-URXFXBBRSA-N 448.611 4.733 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)o2)nc2cc(-c3ccccc3)sc2c1=O 1643557802 PKZDKMISKODUPX-UHFFFAOYSA-N 438.530 4.983 30 10 IJEE C#CCN1CCC[C@H](NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)C1 1645274407 PLXLTWYVZVXKHV-AWEZNQCLSA-N 436.408 4.608 30 10 IJEE C#C[C@H](NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O)c1ccc(Br)cc1 1651048620 LXBYKDPXJJXVEV-SFHVURJKSA-N 443.728 4.542 30 10 IJEE C=CC[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)OC 1652455337 VAQKJQTVWYYWLS-QGZVFWFLSA-N 435.332 4.902 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 1659600168 DAFLCDBTANGLHN-XMMPIXPASA-N 432.495 4.914 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1661854669 AKFRXCMBAHFKAW-LJQANCHMSA-N 441.528 4.563 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C 1662572956 CANZCKAXNPEIGL-INIZCTEOSA-N 435.322 4.793 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)CCOCC1 1669465733 OIZMBMMKFZSPFR-UHFFFAOYSA-N 430.451 4.658 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)sc2ccc(C#N)cc12 1669574640 FYBACQFAQQJUTK-LEWJYISDSA-N 440.590 4.948 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 1670162635 CKTUKHUYNLNMIL-GRVMKYMCSA-N 441.963 4.581 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)CC1 1671203898 ILVQCBCXIBGVPC-MRXNPFEDSA-N 430.763 4.692 30 10 IJEE C=CC[C@@H](CC)NC(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1 1680634503 HXAUQURRMMNRRE-MJGOQNOKSA-N 426.342 4.753 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)cc2n1 1680704415 UETBQJWZKDCENX-UHFFFAOYSA-N 430.339 4.883 30 10 IJEE CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 1680809313 GJQVCWZCINTOAS-XZOQPEGZSA-N 426.511 4.788 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1682076673 NFDOAMMZWWCNMA-MRXNPFEDSA-N 429.757 4.580 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccccc2Br)CC1)c1ccc(Cl)cc1F 1684892128 KOCAFDLVCCXKGZ-GOSISDBHSA-N 435.724 4.947 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 1687036425 NALPJLKARRYWKN-AGOPTVSRSA-N 445.579 4.963 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccnc(C(F)(F)F)c1 1689951474 ZATIONAMYRQKCU-CQSZACIVSA-N 445.514 4.663 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@H](C)Cc1ccccc1OC 1690235620 BPLBDRQYZXXHRR-ZNTQHIFFSA-N 426.605 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)CC[C@H]1C 1690249070 SVSTZGYPMOSNSD-JFNLIGNMSA-N 430.543 4.753 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)CN(C)C)CC1 1690398817 HKZLFNUNKGXINK-GOSISDBHSA-N 429.584 4.547 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1690451558 JUUJIISNNUOCMC-MSOLQXFVSA-N 429.996 4.843 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC(F)(F)C1 1690556294 SGLQBPKTXTULQW-GOSISDBHSA-N 427.499 4.910 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690563558 WHDZIZZUOYLKTK-YPAWHYETSA-N 439.648 4.872 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690633429 ZJHBADUNQUSSCS-UHFFFAOYSA-N 449.624 4.761 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1690733979 SCHFNWKOSNZHRL-VGSWGCGISA-N 429.565 4.606 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1CC 1705515540 GWZHAJCWLGRRLY-UXHICEINSA-N 429.609 4.575 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1cc(Cl)ccn1 1705520212 LTOCHLUSKXQDPM-UHFFFAOYSA-N 437.975 4.962 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCC[C@H]1CC 1705593380 PKGBUIHDARVOKB-IRLDBZIGSA-N 434.584 4.642 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H]1CCO[C@H](C)C1 1705604144 GKSGVRWENXSFPO-QYZOEREBSA-N 430.980 4.736 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC1(OCC)CCCC1 1705624970 BIGBANGBMWWVEQ-JOCHJYFZSA-N 440.563 4.648 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1705675074 WRWFZARXNSDUII-WNCULLNHSA-N 433.644 4.769 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)o1 1705687293 CMTIYKQHOKAIJP-UHFFFAOYSA-N 446.187 4.767 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705689896 CQGYABHAJZMJBP-INIZCTEOSA-N 436.423 4.597 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1705772590 VUIUBSYPAAUPJS-PMACEKPBSA-N 440.588 4.616 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1nncn1C 1705799591 AZDVDOHFUKIEEU-LEWJYISDSA-N 449.603 4.861 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1705821502 ZHICJOALJHEDEH-HSZRJFAPSA-N 426.568 4.561 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1(SC)CCC1 1705861233 YLDQALVDYAPYFV-UHFFFAOYSA-N 444.608 4.614 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCCC[C@H](SC)C2)cc1 1705910004 OQFJQTADSLUVBZ-NRFANRHFSA-N 435.597 4.675 30 10 IJEE C[C@H]1C[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 1707989840 CLLSHSYNXAIQLV-FEKYDKKZSA-N 443.636 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCCN1CCCC[C@@H]1C 1722393877 JXXJBTLQQDAVCL-QFIPXVFZSA-N 442.611 4.544 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C)[C@@H]1C 1722466072 YXUNWASEJLQXQQ-PMACEKPBSA-N 426.630 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1722492687 GWWBZULQHRRYJM-SMIHKQSGSA-N 449.599 4.583 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCO)CCc1ccccc1 1722520703 GPCRQARPGBQZQK-IBGZPJMESA-N 436.625 4.749 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N(C)Cc1ccc(Br)o1 1722530827 YVGFKAJKRLTPIX-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C(C)(C)C)no2)CC1 1722560517 BTPMNBQHQSPECC-UHFFFAOYSA-N 445.365 4.526 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)Cc2cccs2)CC1 1722570093 UNNWAARZWNJZFO-IBGZPJMESA-N 438.597 4.962 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnc(C(C)C)nc1 1722602322 WOSFNVVEZPFCPD-UHFFFAOYSA-N 448.571 4.622 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1722606898 KFJPHDGJVKKXPG-GOSISDBHSA-N 438.732 4.769 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)c1nc(C)cs1 1722634613 RENISNXMVOUYNP-MRXNPFEDSA-N 441.601 4.932 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C(C)(C)C)no1)C1CC1 1722644003 JTJRDGSHKBPCND-UHFFFAOYSA-N 448.571 4.636 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H]1N(C)CCCC1(C)C 1722655026 BVYAXENMVNLURL-NFBKMPQASA-N 434.632 4.976 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCOc1ccc(Cl)cn1 1722665793 HWKXRYMNWMIVEH-UHFFFAOYSA-N 446.942 4.799 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CCc1nc(C(F)(F)F)cs1 1722670069 XCOVRRIXOZQKMY-UHFFFAOYSA-N 437.466 4.981 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1722742501 VZJHTHWYJHJCOM-OAQYLSRUSA-N 439.654 4.931 30 10 IJEE CCN(CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N)CCC(F)(F)F 1728499097 AQQSXVUHPFUXMJ-HNNXBMFYSA-N 442.917 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1cccnc1Oc1cccc(F)c1 1740539293 CBBKWRXJNSLBEZ-INIZCTEOSA-N 431.471 4.679 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1 1740756134 NRZUNCTYCKAAGS-FXAWDEMLSA-N 427.936 4.513 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740783008 CSFMUPFPTCPGCF-QFIPXVFZSA-N 437.632 4.546 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1740824028 SQMPWTIZKPTEDQ-LEWJYISDSA-N 429.996 4.632 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC2(CCOCC2)C1 1740844450 ZQZDKRORJLEUCM-QFIPXVFZSA-N 438.616 4.808 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](C)[C@@H]1C 1741001056 JWPOYOJEFACRME-IRXDYDNUSA-N 441.626 4.850 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1ccnc(C(F)(F)F)c1 1741516092 GKBKAGCFRCBMLY-UHFFFAOYSA-N 443.477 4.568 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)N(C)C)C1 1742982228 CRUKILSSSMYGHS-REHUZNOOSA-N 434.632 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1cccs1)N(C)C 1748655466 YREXPYAYWVROOC-KSSFIOAISA-N 431.968 4.560 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](OC)C1 1748702346 CXWHGWKXHJXJKD-OAQYLSRUSA-N 434.540 4.536 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1748713223 PYSGGKZACXUPED-JOCHJYFZSA-N 445.567 4.811 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@H](CC)C1 1748727918 ZFRVVMTWHXCRRB-GOSISDBHSA-N 430.643 4.714 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(SC)CC1 1748900884 MSDBDETVSGGRFY-UHFFFAOYSA-N 436.625 4.647 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC1=CCCCC1 1748960253 FNDCXPKOUYBRBJ-UHFFFAOYSA-N 431.540 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Cl)cc1 1749124583 OTZQEERYYGHNDR-UGKGYDQZSA-N 437.975 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC=C(C)CC1 1749126015 ZJAAWKKAFAUPCN-XLIONFOSSA-N 443.389 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CC2(CCOCC2)C1 1749149107 RITFOGNHNDBQDG-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCCN1C[C@@H](C)O[C@H](C)C1 1749150559 XWURIOICFPCDIJ-RTBURBONSA-N 432.012 4.500 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1749183322 YRMSIZBNLPUGEK-OAQYLSRUSA-N 440.588 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCO[C@H]1CCOC1 1749466872 AWLIBLOTCSORAI-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)OC 1749536183 CLJVMYSIKBFXJV-OAHLLOKOSA-N 447.402 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1CCC 1749549247 SXVSJXOJDDPLTQ-IBGZPJMESA-N 425.602 4.975 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1749584944 SSLGXTQQCKDBRR-LADGPHEKSA-N 433.600 4.580 30 10 IJEE C[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNc1ncc(Cl)cc1Cl 1752185141 CZQHGBKHLOSUKW-CQSZACIVSA-N 442.354 4.619 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)C)CCN(C2CCC2)C1 1752311587 DDDIJCPGNWKRKH-HXUWFJFHSA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(OC)CC1 1760130764 LQHBRNXUNDHDCC-CYFREDJKSA-N 428.552 4.756 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1760135800 JORCJUKRXHXYJA-JOCHJYFZSA-N 437.975 4.680 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2C1 1760143582 KYADJEUDZFZMJU-NRFANRHFSA-N 435.572 4.674 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1760286587 PANLUINAMIYWIR-VQIMIIECSA-N 433.046 4.969 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H](OC)C(C)(C)C 1760289469 PDXFQXLWVSYEEP-XMSQKQJNSA-N 445.405 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)C1 1760319070 QLHAYRULYFRJEQ-ZQIUZPCESA-N 437.407 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC1(c2ccc(OC)cc2)CCC1 1760338012 BUIXHDNDBFFTSM-UHFFFAOYSA-N 431.584 4.797 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760379151 JTPUBMWHAVBVMM-GOSISDBHSA-N 444.004 4.801 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1760392442 QDEDGIZIZBGJTH-NZQKXSOJSA-N 437.632 4.751 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@@H](C(C)C)C1 1760447903 UHMXLDCUNQEDEA-JOCHJYFZSA-N 437.613 4.664 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1760453129 OXGOKGVPSPMJII-UHFFFAOYSA-N 428.552 4.772 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)c1ccco1 1760564004 LLHMTDQTLAMCKV-SFHVURJKSA-N 434.569 4.840 30 10 IJEE CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1766530748 DMIGVSQTLXWONB-GOSISDBHSA-N 440.592 4.554 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4ccc(F)cc4F)cc3)CC2)c1 1860685020 PSLBCWMIFRRJCE-UHFFFAOYSA-N 444.437 4.985 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1862449797 SOOGIOZIUXNSBM-OAQYLSRUSA-N 441.911 4.736 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2F)ccc1F 1862503365 WGCZDVPGFNAAIJ-HXUWFJFHSA-N 427.378 4.784 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)cc1 1862535045 ZJKLZXLORGLBKC-XMMPIXPASA-N 437.499 4.904 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc(O)c1 1862593382 HHWGETRJLLGJPU-QFIPXVFZSA-N 448.475 4.769 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CC2)cc1 1862645366 GUAAJWSLXDYODR-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 1862688373 VUXYQARCGSSEQF-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862689645 VWYYFWVHOKXASH-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE CC(C)Oc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2F)C1=O 1862921783 GXHGBJASUSVURS-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCCOC)C1=O 1863681480 DLQJARCMSPJPKV-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE COc1ccc(N(C)c2cc(Nc3ccccc3C#N)nc(-c3cccnc3)n2)cc1OC 1868573288 RFERPSXBGSMNFB-UHFFFAOYSA-N 438.491 4.939 30 10 IJEE CCCCCCCCn1cc(OC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870554739 GLHAPRKGHQXFOZ-UHFFFAOYSA-N 425.617 4.535 30 10 IJEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN(CCO)CCCC 1870602295 VIQQBZJNSAEPNU-UHFFFAOYSA-N 439.383 4.515 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871984707 UFNMMHPPWFXRMV-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872085995 IETRUDAACKNJDB-VGSWGCGISA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872423098 NCMQKMOXOUWBQP-NRFANRHFSA-N 434.989 4.797 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)CCC 1872613993 WXLDRIPNODKUBW-QHCPKHFHSA-N 449.661 4.665 30 10 IJEE Cc1ccc(CN=c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(C#N)c3)[nH]2)cc1 1873477040 GBKVNKLZTRNAMX-UHFFFAOYSA-N 431.503 4.773 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCc3ccccc3C)ncnc21 1873618934 OUPRFWKOTLQVNI-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874346721 CCTWKVFUZFNUKE-HYARGMPZSA-N 445.932 4.846 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874445843 MMCKWWICMRXWAK-BHSKHCGUSA-N 435.597 4.987 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccnc1 1874452268 NAIFTCUCBYTFNM-MFKUBSTISA-N 434.569 4.506 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1O 1874462437 UCCYGOXYJYLHOD-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1 1874561222 JBAVDTWWRSXGFM-CVKSISIWSA-N 446.507 4.707 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccco1 1874614148 HMRFGBBAPWJSPX-ONNFQVAWSA-N 425.868 4.533 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)c1ccncc1 1874697662 JTLPFLINQCMNRB-FNORWQNLSA-N 438.277 4.968 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc([N+](=O)[O-])c1OC(=O)CC 1875188968 RPDOXYFCOMSFKJ-SOFGYWHQSA-N 433.844 4.867 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCC[C@H](c3ccccc3)C2)CC1 1892315736 ZRQWDONQTWPJGI-FQEVSTJZSA-N 446.576 4.897 30 10 IJEE C=C([C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[Si](C)(C)C 1923027559 RLWZFKAOJMKVEQ-NRFANRHFSA-N 431.697 4.568 30 10 IJEE CCC#CC[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2005885938 OWKPEVGMAHJHIK-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1N 2079164034 ZDXNXUZJHYHZCE-UHFFFAOYSA-N 427.320 4.646 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1cc(Br)c(C#N)cc1F 2106012599 YKCBPURSYGQBLU-MLGOLLRUSA-N 426.330 4.907 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)sc2C)CCN(C(=O)OC(C)(C)C)CC1 2118142251 MYAKATMJRXUMLG-UHFFFAOYSA-N 443.407 4.895 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2136322103 BDCABIWDVBBQQL-QZTJIDSGSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(c3cc(Br)cc(F)c3C#N)CC[C@@H]21 2174810475 MXQMJBHUSVYWBG-DYVFJYSZSA-N 438.341 4.686 30 10 IJEE C=CCCCCCCCC[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2207430811 YOCGVVOHZVFJOJ-WRGVRERRSA-N 437.602 4.810 30 10 IJEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1ncc(C(F)(F)F)cc1Br 2232220731 WLIBBYYFZOCUPN-NSHDSACASA-N 439.272 4.959 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239652444 KPIUSCBRRSIBFV-PKOBYXMFSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cnc2C#N)C[C@@H]2CCCC[C@@H]21 2240964838 AXLIEFYVYMDSQL-YEWWUXTCSA-N 435.366 4.696 30 10 IJEE CC1(C)OB(c2ccc(Cl)cc2C(=O)N(Cc2ccccc2)CC2CC2)OC1(C)C 2247779561 WGBOCEUCWNZXKX-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE CC1(C)OB(c2csc(C(=O)NCc3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 2267194568 FHGWYCMSSMGXSA-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(Nc3cc(Br)cc(F)c3C#N)C2)C1 2280209499 UZJOZCIVWMCZLB-OPFPJEHXSA-N 438.341 4.907 30 10 IJEE CC1(C)OB(c2ccc3nccc(N4CC[C@@H](COCc5ccccc5)C4)c3c2)OC1(C)C 2285398363 QHPWPDRGNDLFSH-OAQYLSRUSA-N 444.384 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)C#Cc3cccc(Br)c3)cc21 2296215548 BEIOAPRLYWICEJ-UHFFFAOYSA-N 426.310 4.981 30 10 IJEE CC[C@]1([C@H](C#Cc2ccc(Br)cc2)NC)CCCCN1C(=O)OC(C)(C)C 2296309663 YVFVOCSMCLUNPH-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CCOC(=O)C(C(N)=O)=C1O[C@@H](c2ccc(Cl)cc2)CC1=Nc1ccc(Cl)cc1 2296650784 NCQNKFDCRGPNIK-QGZVFWFLSA-N 433.291 4.530 30 10 IJEE C[C@@H](C#CC(=O)Nc1c(Cl)cc(Cl)cc1Br)NC(=O)OC(C)(C)C 2302426723 SXFGKFZPFBABRB-VIFPVBQESA-N 436.133 4.611 30 10 IJEE CCCCCOc1c(Br)cc(C=Nn2cnnc2SCC)cc1OC 2321269977 BRHVSZMMYVRIQJ-UHFFFAOYSA-N 427.368 4.612 30 10 IJEE CCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CC2(CC2)C1 2321620920 AJLTXQOZSKRWNJ-MUUNZHRXSA-N 430.640 4.683 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CC(C)(C)C)ccc1OCc1ccccc1F 2321936800 DFBFSEGSRYYDHD-UHFFFAOYSA-N 428.533 4.764 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)NCc1ccco1 2322646515 JBTHUGCWLGAUDM-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(N)=O)c2Br)cc1 2323076157 BJKOXKHEASWBQN-UHFFFAOYSA-N 446.341 4.561 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Br)c1OCCO 2323795984 MLGCFJVQQBTBND-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(F)c1)C2=O 2323992339 ODEUKGFMZXUJPM-UHFFFAOYSA-N 441.499 4.621 30 10 IJEE CN1CCC(N(C)Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)CC1 2324035007 HEYNHFVBGPTOFV-UHFFFAOYSA-N 447.362 4.841 30 10 IJEE COc1ccc(CNC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325449188 JZUKPWSCCJHJIH-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(C)cc3)c2C)C1=O 2325715573 LZKBRGCDSVBUKU-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)c1cccnc1 2325719825 JYUIQBQNDCPUNT-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2325940919 RLSSSIPLQZQJQY-UHFFFAOYSA-N 446.330 4.534 30 10 IJEE OCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2327593182 BKJIXOZGXZLDCO-UHFFFAOYSA-N 438.940 4.630 30 10 IJEE CCCOc1ccccc1C=CC(=O)[C@@H]1C[C@@H](NC(=O)CCCc2ccc(C)cc2)CCN1 2328263730 GYXGYYYSDPNNRU-DQEYMECFSA-N 448.607 4.626 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1N=Cc1ccc(Br)cc1 2329920271 MXWJNCAFGAKSEK-UHFFFAOYSA-N 429.343 4.780 30 10 IJEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330008103 QBYQASOGLRBMGI-UHFFFAOYSA-N 427.917 4.899 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1F)Nc1ccccc1 2330627153 MVAYRIDHRHCLER-UHFFFAOYSA-N 431.496 4.697 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccc[nH]2)c1C 2330632320 DRCIUVURBMVFMP-UHFFFAOYSA-N 430.537 4.503 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 2330970293 XMADHISFOXCHLY-IBGZPJMESA-N 428.945 4.706 30 10 IJEE COc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@@H]1CCCO1 2330994431 ANBMFEFTBNYQFA-IBGZPJMESA-N 428.945 4.966 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc(OCC)c1 2331541527 YLIXLTKCGJOAIV-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cc(C)ccc2O)c(C)c1 2331546027 URULIAAOKHKMTA-UHFFFAOYSA-N 449.580 4.789 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cn(C)c2ccccc12 2331637734 OKXYAQMHXJCNQR-UHFFFAOYSA-N 446.580 4.644 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)cc1OC 2331689842 KXLSNRQGYYAYML-UHFFFAOYSA-N 441.513 4.501 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(SCCCO)nnc2C(C)C)cc1 2331707386 ZDRDRRXBJWOBMI-UHFFFAOYSA-N 437.613 4.785 30 10 IJEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1ccc(OC)c(Br)c1 9697344 MTRBBFIWWCVOPR-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21255861 AJVYMTACZOXGSM-KGLIPLIRSA-N 430.287 4.726 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2ccccc2OC)c(C)n1 32972952 OXUGVHXXICDRDF-UHFFFAOYSA-N 439.947 4.662 30 10 IJEE COc1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCc3ccccc3)C2=O)cc1 59446235 IJNUORXFWCWZKZ-JOCHJYFZSA-N 445.544 4.538 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSc1ncnc2sc(C)c(C)c12 62888736 XGJZJVCPYLDENR-UHFFFAOYSA-N 428.539 4.523 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(F)cc1 100263813 POSVUGJENUGTHQ-VKWHMPGMSA-N 426.300 4.723 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 102696100 KFBDUFQJFUDAOZ-SADKCHQCSA-N 436.439 4.537 30 10 IJEE CCCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1F 102770814 SZYOAAYHZWORAA-ROUUACIJSA-N 426.598 4.583 30 10 IJEE C=CCn1c(-c2sc(NC(=O)C(=O)c3ccc(C(C)(C)C)cc3)nc2C)n[nH]c1=S 109364402 BCFMTJNMQXVNRN-UHFFFAOYSA-N 441.582 4.678 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926523 DMBLTTUOHAKEAR-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc(Cl)c1O 169931600 ZMNQLPUFSNQKNZ-LJQANCHMSA-N 430.957 4.852 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(C)c2)cc1 169972258 FTPRCHFOTMVACX-OAQYLSRUSA-N 448.544 4.855 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccncc1 170022330 NDTDZSCOXBPCPK-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(Cl)c1 170040562 ORTNPFKOYMJWQA-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(O)c2)c1 170079099 NAWJDTPHGYIWGE-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 170157031 PVFUULRYCMMIOJ-OAQYLSRUSA-N 433.485 4.822 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccn2)c1 170172575 RVCXJCAXOOEGHF-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE CCOc1ccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)c(C)s3)=C2N)cc1OCC 170179313 OLLYGGPCIVMQIW-UHFFFAOYSA-N 449.576 4.941 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)ccc1Cl 170192830 WXWRLERBGSDERX-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)cc1Cl 170200737 YXGOFURDPLLQLO-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1 170232026 ODNGVJNBBNVTEB-NRFANRHFSA-N 438.911 4.616 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)cc1C 170242064 BUIKTJSKHPIUCG-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2)cc1 170265578 AZDXKLXDBNOBCR-DEOSSOPVSA-N 425.484 4.967 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccccc1C 170272964 TYCDYHNALGRYET-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)c1 170274998 UFXIIQYVPPOIJI-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305302 UXHXAYPBBAWWFM-CMJOXMDJSA-N 440.455 4.566 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(C)o1 170306020 JLKZDSKRCJVMOI-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3cccs3)sc2c1 170477358 GHEOSNLJENKUCU-KRWDZBQOSA-N 428.535 4.882 30 10 IJEE C=C(Br)COc1c(Br)cc(CNC(C)C)cc1Br 232671871 MCPSCAWPNDJCCL-UHFFFAOYSA-N 441.989 4.997 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C/c3ccc(O)c(OCC)c3)C(=O)N2CC)cc1 252622492 NWKVQUNSCOJKJS-ZOAXWHFDSA-N 440.521 4.592 30 10 IJEE CCOc1cc(C=NNc2nc(C)c(C)s2)ccc1OC(=O)c1cccc(OC)c1 263627180 YWPRLTKYKWNJHR-UHFFFAOYSA-N 425.510 4.832 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)nnc1-c1cccc(Cl)c1 489647139 PACCLSDSNLXLGZ-AWEZNQCLSA-N 444.910 4.678 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)c3cc(O)nc4ccc(Br)cc34)CC2)cc1 504013045 LFIXAMGYKZVLLN-UHFFFAOYSA-N 434.293 4.504 30 10 IJEE CC1(C#N)CCN(C(=O)c2cc3cc(Br)cc(Br)c3o2)CC1 507827829 GSDVSGYDPLCUSV-UHFFFAOYSA-N 426.108 4.724 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 508887032 GQMIPWCKHWRBNV-GOSISDBHSA-N 434.487 4.713 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)s2)cc1 515331926 HSNBXMJAJYKFNO-UHFFFAOYSA-N 432.383 4.785 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 524992851 WLNCDMWDLYSIAL-UHFFFAOYSA-N 439.512 4.929 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(N(C)C)cc2)c1 526606203 IVBDVQLJZXJYPF-DEOSSOPVSA-N 425.488 4.690 30 10 IJEE CN(C)c1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526635834 AXQZCRHTWAVZJP-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE CSc1nc(O)c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N 537372540 KAMYOEQVJPWHNG-DOTOQJQBSA-N 435.471 4.808 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)n(Cc3ccncc3)c2C)cc1 547289624 CRXIZEMPOMWCLA-UHFFFAOYSA-N 428.536 4.615 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1cc(F)cc(Br)c1 576380939 LTHOPWCEJCSHFT-IBGZPJMESA-N 442.336 4.693 30 10 IJEE C=CCCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(OC)ccc1OC 586247479 IGDMGLGMKGBWBE-UHFFFAOYSA-N 440.359 4.546 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c(F)c1 591803124 QBMQINLNPPKXDP-UHFFFAOYSA-N 437.268 4.621 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C[C@H]4CCOC4)C3)n2Cc2ccccc2)cc1 619817442 CQUSMNQPEUWCKK-XZOQPEGZSA-N 427.552 4.508 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccccc2)C1 619820640 RGZUIJUBUKPBHL-OAQYLSRUSA-N 446.313 4.654 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)C1CN(C(=O)OC(C)(C)C)C1 686263857 OMNYXHRTMCWEGB-HSZRJFAPSA-N 431.533 4.586 30 10 IJEE C=CCC1([C@H](Cc2cc(Br)ccc2F)NC)CN(C(=O)OC(C)(C)C)C1 722906751 RIJOFJWEMXVJIS-KRWDZBQOSA-N 427.358 4.532 30 10 IJEE C#CCOc1cccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)c1 732488522 VTHBYYONRYDQQU-SANMLTNESA-N 434.495 4.696 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccccc3Cn3ccnc3)c2)s1 740026873 BRKZVFSENMPFRM-UHFFFAOYSA-N 427.533 4.531 30 10 IJEE O=C(NC[C@H](O)C(F)(F)F)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 755453195 JAASUIONYAAZJL-AWEZNQCLSA-N 427.341 4.649 30 10 IJEE Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)CCC2=O)cc1C 760967888 FCUUPECQUYJIJU-REWPJTCUSA-N 439.515 4.547 30 10 IJEE C#C[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C 774258322 TZXKXBGILKBGFB-GCJKJVERSA-N 449.576 4.766 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnc(OCC(C)C)c(Cl)c1 783349777 JDYNKRXLJBAMBQ-SFHVURJKSA-N 427.932 4.856 30 10 IJEE C=CC[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12)c1ccncc1 805314473 GQAIUMXRNWIMHY-IZZNHLLZSA-N 435.527 4.874 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C 1124511685 NSECAVLOSDFSTE-UHFFFAOYSA-N 430.570 4.822 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1=Cc2ccc(OC)cc2OC1 1125672670 QPYZDCSAODXBPC-UHFFFAOYSA-N 432.289 4.587 30 10 IJEE CC(C)(C)c1cc(NC(=O)COc2ccc(Cl)c(F)c2)n(-c2ccc(C#N)cc2)n1 1128825157 DJNBTFCPTDSZCZ-UHFFFAOYSA-N 426.879 4.851 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OCC)c(OCC)c(OCC)c1)c1ccc(Br)cc1 1129609635 YCGAMAWEPIDZDM-GOSISDBHSA-N 446.341 4.750 30 10 IJEE C=CCC1(NC(=O)c2ccc(Br)cc2I)CCCC1 1131251367 GOLZFMMELGBAJS-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 1159777248 BNHMLXCABNBACE-FQEVSTJZSA-N 429.358 4.997 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCCN(c3cccc(Cl)c3C)CC2)cc1C 1170243695 HAXBNVWJKKPLRT-UHFFFAOYSA-N 439.003 4.724 30 10 IJEE C=CCS(=O)(=O)CCNCc1ccc(Br)cc1Oc1cccc(Cl)c1 1178285266 OOTBFLYKZWWBLL-UHFFFAOYSA-N 444.778 4.585 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCCC1(C)C 1189785673 WLYLKTQPYJKVKP-NRFANRHFSA-N 430.545 4.833 30 10 IJEE C=CCC1(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCCC1 1214866220 SYGXRRXPQHFAAP-QLYXXIJNSA-N 446.617 4.538 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCC(C)(C)c1ccc(Br)cc1Cl 1227924867 RIAYJJBSQRSUHF-UHFFFAOYSA-N 449.776 4.892 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)CC(C)(C)O2 1229369503 ANOVBNIFEOSFSY-APWZRJJASA-N 442.560 4.971 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 1251831321 USMUROUPWHEIRW-VWLOTQADSA-N 445.607 4.787 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)Cc1csc2ccc(Br)cc12 1264271998 CSVBNECPZJIQEV-UHFFFAOYSA-N 429.339 4.761 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)s1 1266838176 FVOIFRJZYALDNX-OAHLLOKOSA-N 440.009 4.763 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1286340321 ZMFGFGXSWAJFCF-UHFFFAOYSA-N 436.600 4.778 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCSCC 1286361220 ZAZDQGXDHBYZJD-MOPGFXCFSA-N 449.665 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCc2cccnc21 1286583596 OZTVVKKQLNGWJX-NRFANRHFSA-N 447.583 4.783 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(Cc1cccc(OC)c1)C[C@H]1CCCO1 1286594546 AQFZOFXQUYSLJR-JOCHJYFZSA-N 438.597 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](OC)C(C)(C)C1 1286667231 IGQNPVFNSCRSRI-NRFANRHFSA-N 434.588 4.799 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC1CCN(CC)CC1 1286714078 LDFNRQDWJKFWGG-NRFANRHFSA-N 425.621 4.779 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1Cc1cc(Br)cs1 1286743047 UWZODARYGOFJRH-UHFFFAOYSA-N 428.359 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1 1286748443 VCYDYPWUADFCLH-UHFFFAOYSA-N 446.624 4.945 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@@](C)(CC)O1 1286750021 LUQFFPFLYSYXOP-HYBUGGRVSA-N 437.613 4.866 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCCC[C@H](SC)C2)cc1 1286795684 DFTPTDJGKLZJII-QHCPKHFHSA-N 449.624 4.599 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](OCCC)CC1 1286796496 TUTUYYQBLQRBHF-QFIPXVFZSA-N 449.599 4.682 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(C2CCCC2)n1Cc1ccc(COCC(F)(F)F)cc1 1288517197 AKVSLBYANUGYEY-MRXNPFEDSA-N 435.494 4.801 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1291413194 IBDFQWYJVBXHGD-YADARESESA-N 442.567 4.567 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)C(c2ccccc2)c2ccccc2)c1 1294352301 MEYDKGVZQWWDEQ-UHFFFAOYSA-N 431.557 4.735 30 10 IJEE CCN(CC)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c1 1295499470 AAIKDXHQIRZIAR-SANMLTNESA-N 436.648 4.887 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cnn(-c2ccccc2)c1Br 1296462217 COWKEJRBSCQFMF-UHFFFAOYSA-N 426.314 4.785 30 10 IJEE CC#CCN(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1298665882 GUJWQARGOHOJDU-UHFFFAOYSA-N 432.593 4.806 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F 1299260442 SBPBODQGQXRKPP-DYESRHJHSA-N 430.495 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1csc(C)n1 1300284182 QGAKDQJJNWBYAE-GJZGRUSLSA-N 425.627 4.597 30 10 IJEE COc1cccc(C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)c1 1300328899 BUPSRWGVQSVGDT-JOCHJYFZSA-N 437.588 4.636 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OC)CCCCC1 1300548755 OWUIGVRHOSAGIR-UHFFFAOYSA-N 448.611 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCO[C@@H]1CCCC[C@@H]1C 1300809251 VQNYSKZRNLUYNO-QRJOEMBSSA-N 442.554 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(OCCc2ccccc2)CC1 1300871369 BOJFQAVXPOOCHX-UPVQGACJSA-N 438.616 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCCOc1ccccc1 1300877026 UGRBOIRTJCMQHU-NFBKMPQASA-N 436.556 4.733 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nc(C)c(C)s2)CC1 1301071988 CIDAKSJUUQHFEO-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1301150468 UOSAUVJRYAVCJU-SFHVURJKSA-N 438.601 4.585 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1301186931 LUBAMBJIGVNOHP-HXUWFJFHSA-N 446.542 4.642 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CCCS1)C1CC1 1301312942 SBGVCVHNPSAPNU-QHCPKHFHSA-N 425.602 4.588 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1cccc(N(C)C)c1 1301362223 BVJOSADLXBKDJV-JOCHJYFZSA-N 437.613 4.888 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21)C(C)C 1301367475 OPUUWGLGJQNNKX-ZKMPZPQNSA-N 444.627 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nccnc1C 1301379376 HRMDMCMCGYSOHC-UHFFFAOYSA-N 429.355 4.771 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1301432865 FRHWICMZUKWCON-SCCNAQOGSA-N 444.023 4.958 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1301604595 WCBLMNQYARMXDX-JOCHJYFZSA-N 439.673 4.957 30 10 IJEE C#Cc1ccc(C(=O)Nc2ccc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)[nH]c3c2)cc1 1303486125 TYTZIIBZWSYIFE-UHFFFAOYSA-N 444.535 4.911 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCc2csc(C(C)(C)C)n2)n1 1304468103 AMQKVSAKVAGHKX-UHFFFAOYSA-N 449.628 4.775 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1306900496 QPWNECNKEBQHIA-QGZVFWFLSA-N 448.972 4.720 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 1310458176 BLJHRKUKELPZOD-HXUWFJFHSA-N 425.414 4.962 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1311995268 VKZTWLZGHKBNSA-YADHBBJMSA-N 431.502 4.766 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1)C(C)C 1313804882 FUMYKBNSZJKLRY-UHFFFAOYSA-N 448.640 4.993 30 10 IJEE C=CCN(C(=O)c1sc(COCC)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350012205 BEXJIVIQYHKGAX-UHFFFAOYSA-N 444.538 4.853 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(Cl)cc(Cl)n2)c(C(=O)OCC)c1C 1353746007 FIAZZMXDJQDDKA-UHFFFAOYSA-N 443.308 4.530 30 10 IJEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1357964429 CHGHYYHEZABDSJ-SFHVURJKSA-N 429.476 4.673 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCCC1CCCC1 1358974799 RNWLDFGUXPNOHQ-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCC[C@@H](COC)C1 1359119479 WAEQDKYYABBMFM-HXUWFJFHSA-N 436.556 4.946 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1359208494 MXRZQKQVHUXYIH-SFHVURJKSA-N 444.551 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(O)c1 1359263619 GZZDQRPRHHSTPU-UHFFFAOYSA-N 426.586 4.883 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCSC1 1359275731 CYQQDVFPFGSSEN-QFIPXVFZSA-N 433.625 4.642 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359346667 RGUFLEGPBIOGPE-OALUTQOASA-N 432.659 4.802 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 1438015188 CPNRZXCHVSVHDK-MRXNPFEDSA-N 428.326 4.522 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2ccccn2)c1 1445040167 UXQMUDXIMKRWPY-IBGZPJMESA-N 431.920 4.635 30 10 IJEE C#Cc1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 1448174631 QUVMPUPVEGOWJR-SFHVURJKSA-N 427.344 4.919 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)c1ccccc1 1455288388 LHGYVPBAIMOLPA-IBGZPJMESA-N 440.487 4.904 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1)c1ccccc1 1456316793 GHCLLZNNECAKPV-WIOPSUGQSA-N 434.580 4.573 30 10 IJEE C=CCN(C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H](Cc1ccccc1)C(=O)OCC 1458996430 IFUAHMQTDRVHBE-VAMGGRTRSA-N 425.491 4.934 30 10 IJEE C#CCOc1ccccc1CNC[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1461822693 XTRXNXHYQIZDQH-NRFANRHFSA-N 427.470 4.937 30 10 IJEE C=CCOc1ccc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1OC 1466712241 IMCLKLRPZPSMQU-GOSISDBHSA-N 434.561 4.919 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 1467372119 ZIJFUQWJYKYXSY-LJQANCHMSA-N 442.934 4.782 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1468760375 RRASKVYCPNBKCU-FGZHOGPDSA-N 429.605 4.947 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 1468804872 PIGIOHXNOTXYRV-NHCUHLMSSA-N 443.494 4.790 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1)c1ccc(Cl)cc1F 1469363931 XFVARZYXPMWOMY-SGTLLEGYSA-N 430.842 4.711 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2cccc(SC)c2)cn1 1469906538 CGDNEGAFEFTPCK-LJQANCHMSA-N 440.569 4.792 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1F 1477344942 DGZAOOPIAWXSMR-YADHBBJMSA-N 436.918 4.775 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1507532834 NGTYXHCYCRPGLV-OALUTQOASA-N 431.625 4.677 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1507561836 DNZIUCIUCUFPBH-IRXDYDNUSA-N 443.389 4.612 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1507566108 BZMGQALLCJZONX-UHFFFAOYSA-N 437.588 4.960 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc(F)cc2C1 1507575467 GUGGWLKUJYIHAO-UHFFFAOYSA-N 445.361 4.884 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C/C=C\c1ccccc1 1507645082 SVROJUUJFVDCEI-FNUUXAGOSA-N 426.589 4.918 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(C)C)C1 1507779423 NWOUSICROLLFAH-HOTGVXAUSA-N 437.357 4.948 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](C)[C@@H](C)C1 1507792104 DVGHZDJRFAQLGE-CVEARBPZSA-N 449.393 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CCN(CC)C(=O)OC(C)(C)C 1507816314 LNEWITNRXOLLSO-UHFFFAOYSA-N 441.620 4.837 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2c(C)noc2C)CC1 1507880557 LKFCINSDPQFNSV-UHFFFAOYSA-N 428.334 4.517 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](OC)C(C)(C)C)CC1 1507898692 UKDDKBZKAPFVFG-QFIPXVFZSA-N 434.588 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@H](OCC)C(C)C)CC1 1507900834 WIQRGAXIHNSBFX-NRFANRHFSA-N 440.588 4.570 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1507943812 MECOMRQAPXBFHA-BKMJKUGQSA-N 437.632 4.629 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1508151532 XWHMLVBABRPYLV-KUHUBIRLSA-N 436.423 4.724 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1517105323 FWMRNNKQTLAYDI-DHIUTWEWSA-N 444.583 4.689 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1C)c1ccc(Cl)cc1 1525039394 WWURANMRRKVPBW-IBGZPJMESA-N 428.717 4.701 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CC2(C)C)ccc1Cl 1533094756 OXYQWOLYGHSBLC-QFIPXVFZSA-N 432.973 4.640 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccccc1 1536283760 VZDBASYOHCYSDO-MRXNPFEDSA-N 436.249 4.637 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(F)c(Cl)cc2OC)nnc1-c1ccco1 1538330331 OPGSXLJZLWFALB-UHFFFAOYSA-N 436.896 4.646 30 10 IJEE C=CCN(C(=O)c1ccc(N(C)c2ccccc2)nc1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618397 IEDKBKXJDPQVBQ-DEOSSOPVSA-N 443.547 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1539029024 GRANKSNXDLNVOP-DCLXLUIPSA-N 438.616 4.674 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)NC1CCCCC1 1539351203 PBBUVRYBHACOFL-UHFFFAOYSA-N 435.616 4.541 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1539578843 CLISXHYZUZDZOE-AQNXPRMDSA-N 445.405 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1539651514 HRHPQXLKRSTSSM-AUSIDOKSSA-N 442.604 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCc1c[nH]nc1C 1539656064 SLRAFRKXPLATPC-UHFFFAOYSA-N 443.393 4.774 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)C)CC1 1539735211 KXTHMPBKDMBBSL-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@@H]2c2ccc(OC)cc2OC)nnc1C(C)(C)C 1539759641 JTDQTPJJIRXXMI-HXUWFJFHSA-N 428.577 4.527 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2nc(C)cc2C)CC1 1539891883 MARFIEBWROEMBM-UHFFFAOYSA-N 439.007 4.828 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCC[C@H](C)C2)CC1 1539897979 NREUODOIFSNJGK-FQEVSTJZSA-N 437.632 4.608 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1csc(C(C)C)n1)C1CC1 1540111419 JKCUIBXKLWGIDW-UHFFFAOYSA-N 425.577 4.985 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1540915139 HKLOXDSYUSKKJD-UHFFFAOYSA-N 449.665 4.596 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3=O)c2)cc1 1544463710 BKYXELDWRKDFKO-JOCHJYFZSA-N 444.922 4.881 30 10 IJEE C#CCCN1CCC(NC(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)CC1 1544543769 YEZBYAQXARGEMB-UHFFFAOYSA-N 435.618 4.685 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(S)nc3c2)C1 1557406631 BXURKFDASGFZLB-SFHVURJKSA-N 433.577 4.720 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)OC 1558383762 XHUSDQJRIDRDGY-LJQANCHMSA-N 449.334 4.873 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1ccccc1 1558622486 BSICGKSHGNWORI-FGZHOGPDSA-N 442.600 4.659 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1564869843 XACNEWJHEDLQFJ-UHFFFAOYSA-N 439.515 4.813 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(CC(C)C)cc3)C3CC3)ccc2c1=O 1584168489 NUEUDYKASSUCGW-HSZRJFAPSA-N 447.604 4.951 30 10 IJEE COc1cccc(CN(CCN(C)C)C(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 1584937837 HZDUFVQFERQEEN-UHFFFAOYSA-N 445.588 4.922 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(OC)c(OC(F)F)c(OC)c2)C(F)(F)F)cc1 1587315660 TVAHORSUPKOQCG-QGZVFWFLSA-N 430.325 4.747 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1587783295 NTSHUZXZUHOUTK-DEOSSOPVSA-N 446.599 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCC1CCC(OC)CC1 1588251162 MVCVGYKNLGFKPR-UHFFFAOYSA-N 448.611 4.532 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1Cc1cc(Br)cs1 1588482857 WVYAEMITTRFCRZ-UHFFFAOYSA-N 445.361 4.807 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1sc(C)nc1C 1589178147 SUKBIZJHFVSNKI-JOCHJYFZSA-N 441.988 4.721 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1594115813 VAGWXBNGEPCZAC-OAQYLSRUSA-N 430.600 4.550 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCCC2)CC1 1594430280 KWBFSGOPNNNJLX-UHFFFAOYSA-N 437.632 4.653 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccccc2OC)CC1 1594436728 DNXBLQNIKXDWLT-FYYLOGMGSA-N 438.616 4.850 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1594591387 UGMDDZSJCRCKKV-UHFFFAOYSA-N 435.532 4.556 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2Cl)CC1 1594633732 FFUYPMIVNAIMFZ-UHFFFAOYSA-N 436.991 4.600 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(CCC)CC2)C1 1595665392 UEAWXHQZMQXGGY-OAQYLSRUSA-N 437.588 4.509 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 1597191592 VHWJCWWXLZXUMV-MQSCRBSSSA-N 444.497 4.919 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 1614875803 UAZBQPHNMKDWIL-OAQYLSRUSA-N 447.878 4.764 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2CCC=CCC2)c1 1616697317 CYUOLQNSYGLFIY-UHFFFAOYSA-N 444.984 4.950 30 10 IJEE C#C[C@H](N[C@H](C(=O)Nc1nc(-c2ccc(CC)cc2)cs1)c1ccccc1)[C@@H]1CCCO1 1617358867 CMPIKIUIQGLNSO-XWGVYQGASA-N 445.588 4.823 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cccc(NC(=O)CN2CCCCCC2)c1 1620845515 YROICABDMQVPTD-UHFFFAOYSA-N 425.960 4.779 30 10 IJEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1C 1627767286 CZHZLUONUPCUIZ-NRAIQUKZSA-N 434.536 4.576 30 10 IJEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)c1ccccc1 1630869155 ILAQUVSXEUZVKR-DEOSSOPVSA-N 432.545 4.599 30 10 IJEE COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1635080295 HXHULKOKDMHQGS-UHFFFAOYSA-N 428.370 4.856 30 10 IJEE C=CC(C)(C)CCNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 1637228458 KWCRLFLMDDNMDU-UHFFFAOYSA-N 427.358 4.581 30 10 IJEE C[C@@H](Nc1cc(Br)c(C#N)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1640288523 CTDJJSVVUZQQOB-GFCCVEGCSA-N 426.330 4.907 30 10 IJEE CCCn1c(SCc2ccc(C#N)cc2OC)nc2ccc(Br)cc2c1=O 1640702885 FTOVVUMIPAXZML-UHFFFAOYSA-N 444.354 4.742 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1)C1CCCCC1 1641656222 BYYBVUKRJGSNDL-AREMUKBSSA-N 429.564 4.641 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1)C1CCCCC1 1641656223 BYYBVUKRJGSNDL-SANMLTNESA-N 429.564 4.641 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN[C@H](c2c(F)cccc2F)C(F)(F)F)cc1C 1645003750 DMHYGBLMBIFSEE-HXUWFJFHSA-N 425.401 4.722 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540519 RZXCYHBDDMDLIE-GJZGRUSLSA-N 445.654 4.698 30 10 IJEE CC(=O)[C@@](C#N)(CCSc1nnc(COc2ccccc2Cl)n1C)c1ccccc1 1651653526 HNZGITKGXCAXOC-QFIPXVFZSA-N 440.956 4.580 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@@H](C)C3 1652492452 LXFSQQBOOWKFBG-UZLBHIALSA-N 440.634 4.855 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(Cc2ccc(Br)cc2C#N)C1 1654771145 HZFJSNKEWUHYER-IBGZPJMESA-N 442.357 4.777 30 10 IJEE N#C[C@H](C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccccc1 1656355136 COKCTVPKIGHJNU-FQEVSTJZSA-N 445.935 4.951 30 10 IJEE Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)c1cccc(Br)c1C#N 1661691311 HQCZSUNYHWVCNL-OAHLLOKOSA-N 447.276 4.601 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 1662444328 GTULKWOVWYCHHS-NRFANRHFSA-N 446.450 4.654 30 10 IJEE C=CCC1(CNC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)CCCC1 1665093893 UUPWTMPWZWNAED-UHFFFAOYSA-N 449.617 4.518 30 10 IJEE CC(C)CN(Cc1ccccc1Br)S(=O)(=O)c1cccc(Cl)c1C#N 1667867699 DRIDHOFBZOLKPN-UHFFFAOYSA-N 441.778 4.821 30 10 IJEE C#CCN(C(=O)NC[C@H](C)Oc1cccc(Br)c1)[C@H]1CCCc2ccccc21 1669778814 GKOGWHMXDVHDDS-JTSKRJEESA-N 441.369 4.939 30 10 IJEE C#CCN(C(=O)Nc1cc(C)c(OC)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1670726596 RLUONTMSWJGNIX-UHFFFAOYSA-N 435.952 4.524 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CSc2ccc(Br)cc21)C(C)C 1675963792 IAWQASQXRNNAOP-ROUUACIJSA-N 438.435 4.594 30 10 IJEE C=CCCC1(CNC(=O)NC[C@@H](CO)Cc2cccc(Br)c2C)CCCC1 1683984636 FQQSWHHNRDUMMH-SFHVURJKSA-N 437.422 4.734 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccnc(SCC)c1 1689832184 YCCQRJYXMZIMAI-GOSISDBHSA-N 442.592 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cc(Cl)ccc1OC(F)F 1689856061 IPAYRAWUPISZOX-CYBMUJFWSA-N 436.915 4.691 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(NC(C)C)CC1 1689879954 MOZWSHQLSMFPSA-LJQANCHMSA-N 439.673 4.902 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(Br)o1 1689882712 JHJJHLQBAXJQNP-UHFFFAOYSA-N 443.345 4.749 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1689883136 YVTQGUPIQDGQDD-SANMLTNESA-N 431.584 4.938 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCc1nccs1 1689914918 JTMARUWRWDRGLC-UHFFFAOYSA-N 444.608 4.901 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(CC)(CC)SC 1690050922 GLDVWAYNLUJZCX-UHFFFAOYSA-N 433.625 4.735 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC2(CC2)C1 1690304643 JSZOGWXUSIYTAF-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC(C)C 1690332652 HZHWMYDQDBMMPT-UHFFFAOYSA-N 427.774 4.951 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCOCC2CCOCC2)CC1 1690363780 BHQYPOZTXTUVCP-XMMPIXPASA-N 438.616 4.810 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCSCC(C)C)CC1 1690367691 YBKNWNXNGDSKGE-UHFFFAOYSA-N 446.617 4.517 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1690369574 PPEOPWHPCLOPML-CVDCTZTESA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@@H]2C)CC1 1690374028 MSIJFXMOTLADLY-FPOVZHCZSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(C)(C)O)CC1 1690402819 RAHLJQZZDFDUKJ-UHFFFAOYSA-N 439.785 4.534 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2cc(C)ccc21 1690437649 KTTULXBKFYGTRC-UHFFFAOYSA-N 435.597 4.875 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CN(CC)CC)C1 1690478288 RRONLIUBRWMHQG-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)c1cccc(C)c1 1690599003 IOGPHPCCRHUERC-NRFANRHFSA-N 426.568 4.807 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690651270 FZCPPGHXMRKQSR-DGCLKSJQSA-N 435.277 4.985 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](COCC)C1 1690737575 QFPICUAGPRGNOF-IBGZPJMESA-N 437.613 4.665 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)C1(C)C 1696193413 IERIUZXGBICSKI-WOJBJXKFSA-N 427.618 4.598 30 10 IJEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1696700851 AQAZLFFLFLFXTD-FYYLOGMGSA-N 444.583 4.689 30 10 IJEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCC(C)(C)C)CC1 1705635866 OGMYPEJLKYKWQU-LJQANCHMSA-N 439.673 4.713 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1705732319 VLVSMPAAGPAMKN-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1705827121 VHJVUDDNBAFNSF-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@](C)(OC)C1CC1)C1CC1 1705850603 ABLBXUHSDHTOJN-OAQYLSRUSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1705861842 QVBDGVYUPUBAJW-UHFFFAOYSA-N 430.556 4.530 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1cc(COC(C)(C)C)on1 1705865014 PSFWJXFWTNNENA-UHFFFAOYSA-N 427.524 4.524 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1)C(C)C 1705867390 NBKWPAADXKIOFO-SHQCIBLASA-N 449.643 4.651 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1705886885 VEYLSADIFWHAQN-GOEBONIOSA-N 437.357 4.674 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)C1 1706500061 HUBIGPKAACZVCS-MSOLQXFVSA-N 447.002 4.701 30 10 IJEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)CCO1 1709551168 BHSVUSYFPOSHHC-WOJBJXKFSA-N 429.515 4.648 30 10 IJEE CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCC1(F)F 1710105736 CWPFRHBBLIXTIM-LJQANCHMSA-N 429.515 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCc1nc2c(s1)CCCC2 1722276129 GYMWBQCOZCKLGF-UYAOXDASSA-N 433.625 4.856 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCc1cccc(C)n1 1722360996 BTRWVGAGUXYRFK-UHFFFAOYSA-N 425.989 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)COC 1722511898 PRYOAEIXJDEQFD-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccc(C)nc2)CC1 1722561599 XMIAWYOWTJMNLS-UHFFFAOYSA-N 442.336 4.755 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1722580717 XWMGVOJKLUSWJL-DENIHFKCSA-N 443.661 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722585169 QWMNQFIVSYSWNE-GOSISDBHSA-N 444.023 4.894 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C)=C(Br)C1 1722610566 BFIXKXMXTQJLGA-UHFFFAOYSA-N 431.334 4.519 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1cc(C(F)(F)F)ccn1 1722643394 LUPZRWFTQWPIRD-UHFFFAOYSA-N 445.489 4.753 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1Cc1ccnc(OCC(F)(F)F)c1 1722666502 PDUBSYMVUBUEDI-UHFFFAOYSA-N 429.446 4.508 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)CC 1722679103 NMZVHYIYGADWKR-OAQYLSRUSA-N 434.993 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@H](C)C1 1740555931 DKDGKGGNPQFDAZ-HBMCJLEFSA-N 438.616 4.818 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)(C#N)CC1 1740569295 ARUCJQMTKXCWDD-UHFFFAOYSA-N 435.572 4.674 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)COC 1740647378 SXBBDRRHHSMZQN-INIZCTEOSA-N 426.973 4.559 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCSC(F)(F)F 1740674430 GSLJOTZFMBHWAL-UHFFFAOYSA-N 440.535 4.867 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)C1CCCC1 1740755922 MLZJGBKSXIGIPK-FDDCHVKYSA-N 440.588 4.712 30 10 IJEE C=C(C)Cn1c(CC)nnc1N1C[C@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1740782702 MIOSSVUMASOWQI-ASSNKEHSSA-N 433.915 4.513 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740797690 SSBHZTDCBVIBCK-ZJOUEHCJSA-N 428.552 4.604 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCS[C@H](C)[C@@H]1C 1740806585 VDSKEWIVMWWRBE-QWHCGFSZSA-N 427.799 4.790 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740811526 VKKPSABFUCZJHK-FQEVSTJZSA-N 428.964 4.617 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)cc2)CC1 1740837060 WSCCDLZHVUPAOM-UHFFFAOYSA-N 440.389 4.805 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)c1ccccc1 1740856458 TVCSGCRBCZRIMM-ISKFKSNPSA-N 448.615 4.631 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1740862326 PUEYOQIJAXBEAT-SFHVURJKSA-N 442.995 4.805 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)CN1CCCC1 1740893055 VQSWLBSYGVBDCO-FQEVSTJZSA-N 432.616 4.707 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740893336 GNZYQBVKUHRSSI-QFBILLFUSA-N 445.995 4.866 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1740908014 HNJSUIILVXVMET-BJWYYQGGSA-N 432.515 4.905 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC[C@@H]1CCCCO1 1740920093 CKMKEEHAHIKJAA-QFIPXVFZSA-N 435.547 4.555 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCC1CCN(CC)CC1 1740922165 WWRNABSYTTZQQI-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1Cc2ccccc2O[C@H](C)C1)C(C)C 1740927811 XNBAONDGBVFZHS-OFNKIYASSA-N 435.616 4.642 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](CC(C)C)C1 1740998984 VMIOUDPXFSXUOG-GOSISDBHSA-N 428.602 4.508 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N(C)Cc1csc(Br)c1 1748743402 AFJIOEGFRIHIES-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCCCC1 1749115259 OJKKLULPNCICBA-IRLDBZIGSA-N 437.588 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@@H]1CCO[C@@H](C)C1 1749149278 YKCZAYFEJNHYRR-RBUKOAKNSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2cccc(OC)c2)CC1 1749304901 KUSIFWNAERHWBX-UHFFFAOYSA-N 437.613 4.777 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1749311154 GSOBCRICDIIRHM-JOCHJYFZSA-N 437.632 4.696 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)c2ccco2)CC1 1749335104 OPDCCUFGPQJDLI-JOCHJYFZSA-N 430.911 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC2CCCCC2)CC1 1749370939 UBKCBFDWLGSKSK-UHFFFAOYSA-N 436.648 4.569 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCc1nc(C(C)(C)C)cs1)C1CC1 1749524828 DVIIVCWYBFWORQ-UHFFFAOYSA-N 442.658 4.785 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCSCC(F)(F)F 1749531208 DKMLWHFUVNJQDX-UHFFFAOYSA-N 435.519 4.905 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCN1CCC[C@H](C)C1 1749553097 NHYDJLZCMLHZNS-IBGZPJMESA-N 441.670 4.916 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1ccsc1 1749590191 RQYODMBATVLKBK-UHFFFAOYSA-N 425.583 4.572 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(F)cn1 1751338218 DNTWYNABHOGOAU-HNNXBMFYSA-N 447.543 4.698 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1760145040 HAYROQPDMLPYSM-TZIWHRDSSA-N 428.552 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC[C@H](OC)C(CC)CC 1760296669 WEKYBLZQKVOEBI-WIOPSUGQSA-N 426.580 4.841 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H]1CC[C@](C)(CC)O1 1760298243 YZEVLFSFFIENHH-QGDZQMKYSA-N 436.600 4.759 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1760303278 IOCFBSUZNAPHMR-UHFFFAOYSA-N 441.251 4.809 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1760433476 SMKWDMVPAWRCQU-INIZCTEOSA-N 430.984 4.661 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCCc1cccc(C)n1 1760485725 OIRADBUYAWLGQJ-UHFFFAOYSA-N 430.581 4.930 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCc2c[nH]nc2C)cc1 1761870709 BLSPNRQASXXRIF-XMMPIXPASA-N 449.628 4.673 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(C)(C)C(C)C)cc1OC 1768503264 DUUJEMSLWULXMB-XMMPIXPASA-N 425.577 4.775 30 10 IJEE COc1cc(/C=C2\SC(=Nc3ccccn3)N(c3ccccc3)C2=O)cc(OC)c1OC 1772731562 NUFROFIUYZBMEL-UTXXGPSKSA-N 447.516 4.916 30 10 IJEE N#Cc1cccc(C(=O)n2c(=O)oc3cc(-c4csc(Cc5cccs5)n4)ccc32)c1 1860477917 RYNAVRPYFIILBI-UHFFFAOYSA-N 443.509 4.930 30 10 IJEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)n2)c1 1860552609 LXDUGQSESLXPEC-UHFFFAOYSA-N 432.483 4.976 30 10 IJEE Cc1cc(Br)ccc1NC(=O)C(=O)/C=C/c1ccc(F)c(Br)c1 1860726336 NIJZAEBKPWEGER-XVNBXDOJSA-N 441.094 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccccc1)c1cccc(O)c1 1862589192 GOBIYOCEQJSIOD-RXCMBHOCSA-N 429.516 4.939 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(Cl)c1 1862626746 GXDOMFVALIBCDE-FQEVSTJZSA-N 427.884 4.837 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862642435 DYMVZXFRKZPUGT-GOSISDBHSA-N 435.373 4.617 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1O 1862665711 MNLBZTKCDMJBOM-QHCPKHFHSA-N 447.487 4.896 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 1862748908 LXOASDZLHHXMBV-XWRIVVANSA-N 438.455 4.891 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)c(C)c1 1862943855 ZEKQLSZJAZCACX-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(Cl)cc2)cc1 1870098231 UFLZRVDFYJYXKP-UHFFFAOYSA-N 449.923 4.569 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870111169 BNNNTIXVWISWLW-UONOGXRCSA-N 446.725 4.900 30 10 IJEE C#CCOc1cn(CCc2ccc(C)cc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870300825 WWCHGKABOLPYSC-UHFFFAOYSA-N 443.572 4.721 30 10 IJEE CCCCN(CCCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCOC 1870348798 MVWLERNXTWHZIU-UHFFFAOYSA-N 439.600 4.738 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(C(C)(C)C)cc2)cn1CC=C 1870592089 KTZAGFSWQLOMED-UHFFFAOYSA-N 436.596 4.964 30 10 IJEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 1871285227 QVZRHMMUPKSAFG-UHFFFAOYSA-N 441.940 4.510 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871349304 UFANTTKUUFIFEB-MYYYXRDXSA-N 445.563 4.678 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc(O)c2CN1CCCc2ccccc21 1871395483 TUYXCPZZLOPCRU-UCQKPKSFSA-N 428.444 4.869 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 1871441886 OPMUZXAKTVAVMP-JJFYIABZSA-N 435.863 4.982 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872460288 GVGDHBKQQOGSGV-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872559252 JUKNNUJQTZBDKG-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1Cl 1872763752 UDTDPNJGKBHLNC-INIZCTEOSA-N 427.869 4.935 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773870 ZVAXXCKGCFYGAN-CQSZACIVSA-N 441.852 4.633 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)c(OC)c1 1872784912 ZYDMJJQCGGHDTA-KRWDZBQOSA-N 428.897 4.736 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccco1 1874271898 QBORLTIJBOGXQI-BUVRLJJBSA-N 434.521 4.543 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1O 1874289129 ZOOHOAIPEYJQIV-MFKUBSTISA-N 446.532 4.746 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874316706 HAQXENQNDKAQBF-HZHRSRAPSA-N 437.525 4.748 30 10 IJEE Cc1ccccc1CCc1nnc(SCCO)n1/N=C/c1ccc(Cl)c(Cl)c1 1874364265 UOJOOPSFHSZZFZ-YDZHTSKRSA-N 435.380 4.645 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(SCCCO)nnc1[C@@H](C)c1ccccc1 1874399773 VZWFIAONQCTCOE-WYZSWBMLSA-N 446.576 4.948 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)cc1O 1874410460 UZDCQSHAYDFMSJ-FSJBWODESA-N 440.525 4.655 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1C 1874429421 JANJJFSVHHQQMQ-KOEQRZSOSA-N 435.597 4.876 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 1874696987 QJWIPUYTJGTJBP-NTUHNPAUSA-N 433.416 4.727 30 10 IJEE CC(C)(C)c1cc(CCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc(C(C)(C)C)c1 1891382041 AGHGUUAZRFKRSP-JOCHJYFZSA-N 448.611 4.946 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)c1cc(-c2ccccc2)nc2ccccc12 1891799088 NEPBEQWPHOVODY-UHFFFAOYSA-N 431.539 4.693 30 10 IJEE C[C@@H]1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OC(C)(C)C 1912174994 HFKARIAYVQNASY-ZOCZFRKYSA-N 436.557 4.852 30 10 IJEE CN(C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)[C@@H](CC#N)C(F)(F)F 1985172021 AONSGZYJMRWCET-KRWDZBQOSA-N 427.467 4.507 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(Br)o2)o1 2033813216 LESFTXDUCDJPRO-MRXNPFEDSA-N 448.294 4.784 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(Br)cc1C 2039290051 MQXBNNFLFFCMKL-AWEZNQCLSA-N 430.412 4.963 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(N3CCCC3=O)c2)cc(Br)c1OC 2040483487 XRSBJBUWNCGVKZ-UHFFFAOYSA-N 444.325 4.879 30 10 IJEE CCCOc1ccc([C@H](C)n2nc(C(F)F)c(C#N)c2I)cc1 2080079270 FJNRZQWLMOWNKX-JTQLQIEISA-N 431.224 4.695 30 10 IJEE CC(C)(C)c1nn2c(=O)cc(-c3ccc(C(F)(F)F)cc3Br)[nH]c2c1C#N 2080996510 JLLYPRACHPBFLD-UHFFFAOYSA-N 439.235 4.640 30 10 IJEE Cc1sc([C@@H](C#N)C(=O)CSc2ncccn2)nc1-c1ccc(Br)cc1 2084270807 KNRXFSIQLRATQK-AWEZNQCLSA-N 445.367 4.640 30 10 IJEE Cc1cc(CNC(=O)OC(C)(C)C)cc(NCc2occc2B2OC(C)(C)C(C)(C)O2)c1 2101329369 QQYPRFKTMNSRHQ-UHFFFAOYSA-N 442.365 4.524 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 2106026927 YYKZGJOZAKMBNZ-AWEZNQCLSA-N 426.330 4.907 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1cc(Br)c(C#N)cc1F 2107377159 BQLHYWPVWLPSBA-YVEFUNNKSA-N 426.330 4.907 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 2111468810 VMWOUFKBFMYLLN-DHIUTWEWSA-N 447.579 4.777 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(c2cc(Br)c(C#N)cc2F)C1 2118155951 FKCXIVVJTPSUNW-OLZOCXBDSA-N 426.330 4.542 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 2159128472 RZITYPYNVNSRHR-SJORKVTESA-N 441.414 4.574 30 10 IJEE C=CCC1(NC(=O)c2ccc(Br)c(F)c2)CCN(C(=O)OC(C)(C)C)CC1 2174760555 KCEZWFZWMSUJGQ-UHFFFAOYSA-N 441.341 4.664 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H](C#N)C2CCCCC2)ccc1Br 2181055101 FEQNNMQVSRUXDW-QGZVFWFLSA-N 436.350 4.998 30 10 IJEE Cc1cc(CNC(=O)c2cc(Cl)c(Cl)s2)sc1B1OC(C)(C)C(C)(C)O1 2202297760 AVIVQZCFGIEXJP-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C=CC[C@@](C)(O)[C@H](NC)c1sc(Br)c(Br)c1Br 2216393831 MIEOIVDQZGTVNW-MWLCHTKSSA-N 448.018 4.623 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1sccc1CNC(=O)OC(C)(C)C 2227462195 HXURZBRGOIWUAQ-QGZVFWFLSA-N 435.387 4.848 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(CCCCNC(=O)OC(C)(C)C)OCCC(=O)O 2252113491 LXOYPRUFDMZKOB-DEOSSOPVSA-N 435.561 4.704 30 10 IJEE C=CCCC1(C(=O)NCc2scc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2266309691 HQFPCQKOOQZHIA-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)c1ccc(Cl)c(I)c1 2278780863 GEPVKIJAVGWGKA-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cc(F)c(Br)c(Cl)c3)c2F)OC1(C)C 2280766038 AWIOSSXBMPHYLT-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@H](O)C#Cc2ccc(Br)cc2)C1 2296284665 TUHRPOMBJBXPCJ-IEBWSBKVSA-N 436.390 4.835 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2296296179 LAVYSOIOMLVISC-ILZDJORESA-N 435.406 4.672 30 10 IJEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1OC 2296303869 ZXZSYZGJQKUJAS-HXUWFJFHSA-N 429.900 4.579 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ncccc1NC(=O)OC(C)(C)C 2296309856 BMJIHKWIZITTIR-KRWDZBQOSA-N 430.346 4.893 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296310164 FXTAIJIQZQGRHJ-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE C=CCOc1cccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 2297741365 DEFYLDWVPGMQLV-DEOSSOPVSA-N 440.499 4.577 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(C=CC(=O)c3ccccc3)c2)c1 2313534880 XYSWIKGMAQBRBH-UHFFFAOYSA-N 441.487 4.752 30 10 IJEE COc1ccc2c(c1)OC(=Cc1cccc(OC(=O)c3ccc(OC)c(OC)c3)c1)C2=O 2314527255 MHMWECDIUHDQQX-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(OC(=O)[C@@H]4CCCO4)c3C)C2=O)c2cc(OC)ccc21 2322926595 NIWBJUHYUQLELB-QFIPXVFZSA-N 447.487 4.679 30 10 IJEE Cc1cc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323595713 MLOMUGDTVSYTHD-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE CCOC(=O)Cc1csc(NN=Cc2ccc(OC)c(OCc3ccc(C)cc3)c2)n1 2323854541 QLZXXJSDKZWMGM-UHFFFAOYSA-N 439.537 4.591 30 10 IJEE COC(=O)c1sc(NN=Cc2ccc(OC)c(OCc3ccc(C)cc3)c2)nc1C 2323874545 WPSPFCJZFQDPGP-UHFFFAOYSA-N 425.510 4.580 30 10 IJEE COC(=O)COc1c(Br)cc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2323959308 ZGYFTNDEARFRII-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)cc1 2325019484 MOHOELMSZQQDJD-GOSISDBHSA-N 443.499 4.876 30 10 IJEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2325480237 SWNYWMORYHYOMG-UHFFFAOYSA-N 444.443 4.927 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325684071 GCFUWEHFLVMPOQ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2327579784 PCZIPLMGKFHLFI-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329097374 BSDGJRIYLZMANW-UHFFFAOYSA-N 443.916 4.687 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(O)cc2O)cc1 2329701468 ZCQXJZAIGYYESR-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 2330531472 IWKGMBAHWHJADY-UHFFFAOYSA-N 439.591 4.990 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCCO)nnc2C2CCC2)cc1OCC 2331540138 MZYKVEJUJNLKCI-UHFFFAOYSA-N 446.617 4.870 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC(C)(C)[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582144 OYXKQZOIEHZHID-NYQNCTAXSA-N 444.381 4.797 30 10 IJEE CC1(C)OB(c2ccc(N[C@@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@H]43)c(C#N)c2)OC1(C)C 2364744795 CKLYJUGMFXMRHJ-JWMZNBFRSA-N 444.384 4.653 30 10 IJEE C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC 20892438 COILCXTVMPEXAA-JOCHJYFZSA-N 439.512 4.668 30 10 IJEE C=CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1ccc(OC)cc1 24142655 JAOJPAJNLIGKOS-UHFFFAOYSA-N 439.566 4.976 30 10 IJEE CCOc1ccccc1/N=C(\NCCc1c[nH]c2ccccc12)NC(=O)c1cccs1 32943232 SEKGVSRRHZUBEI-UHFFFAOYSA-N 432.549 4.878 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccccc2OC(=O)c2ccc3c(c2)OCO3)c1 34954232 YRQJRQUSKRVCTG-YFHOEESVSA-N 432.428 4.548 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1 41514545 UURYMBLHBVRDIZ-UCQKPKSFSA-N 443.499 4.735 30 10 IJEE Cc1onc(-c2ccccc2Cl)c1C(=O)NCC#CCOc1ccc2cccnc2c1 90743432 GAGBTBKTEWRWGJ-UHFFFAOYSA-N 431.879 4.664 30 10 IJEE CCCCCCCN1C(=O)C[C@@H](C(=O)NC)S/C1=N/c1cccc(C(F)(F)F)c1 100168701 GJKIXSZESCUQFL-DFVMWDSZSA-N 429.508 4.743 30 10 IJEE CCOc1ccccc1-c1nnc(S)n1/N=C\c1cc(Cl)c(OC)c(OCC)c1 169912237 CZKUPRLCLXLTRS-UUYOSTAYSA-N 432.933 4.575 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 169923018 SCWXJUPLKBKQRC-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)cc1 170058962 YDTWZFJBVAJWNC-HSZRJFAPSA-N 432.907 4.833 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccco2)cc1 170099159 VSQNHEXLUVLPIQ-FQEVSTJZSA-N 431.423 4.640 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@@H]3c3cccs3)ccc2O1 170167095 WTCIECARUDKTBB-JLCFBVMHSA-N 449.503 4.989 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)ccc1Cl 170192831 WXWRLERBGSDERX-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)cc1 170200076 RIHOIWWKCJNYET-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2C)cc1C 170272886 PREXUSUYUWXNRL-XMMPIXPASA-N 438.483 4.967 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccccc1C 170278252 YJISSYKLGUPRIM-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1sccc1C 170317602 SWBUYUZUIOMTKR-FQEVSTJZSA-N 441.549 4.985 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC)c1 170323124 YBICNUKCRPSMBO-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170473511 AYLZZYVPVUKHTQ-NRFANRHFSA-N 437.492 4.718 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc1)C2=O 210086295 HCFWTYLZTRKTAO-WSDLNYQXSA-N 431.400 4.829 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(COc2ccccc2C#N)c1 303581977 PEVQOXTYNPJQLI-UHFFFAOYSA-N 427.460 4.874 30 10 IJEE N#C[C@H](c1ccccc1I)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 309699825 AEPRIMXSGUCRHZ-AEFFLSMTSA-N 446.288 4.557 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(Br)c(OC)c1 317321441 CJJCFCGOJXSHCC-UHFFFAOYSA-N 425.120 4.844 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1nc2cc(F)ccc2n1CC 409755676 RJVOQILYDAAQJQ-UHFFFAOYSA-N 441.507 4.983 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1nc(C(=O)OCC)cs1 409817673 SNYWQDWFZHKQBM-UHFFFAOYSA-N 448.504 4.664 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ncccc2C)n1Cc1cccs1 461487199 ZPWXTRFKVUVNRV-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](COc2ccccc2)C1 483850370 AZLCDXPRTSLRLQ-DEOSSOPVSA-N 443.503 4.971 30 10 IJEE CN1CCC[C@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H]1c1cccs1 525551738 DZJLVUJRFPHAAK-JPYJTQIMSA-N 435.549 4.605 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 537668674 PCXFPKFDDUFUAK-KRWDZBQOSA-N 445.494 4.967 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 549641061 HFYHGHOZCAEESU-GOSISDBHSA-N 440.979 4.989 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 549665188 DXFLIVATJOBHTC-UHFFFAOYSA-N 426.933 4.521 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)N3CCn4c(cc5cc(Cl)ccc54)C3)CC2)c(F)c1 557024753 ALJMFNAHWFMOPB-UHFFFAOYSA-N 436.918 4.564 30 10 IJEE N#CCCCN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 586206371 ORNQPCVMEUALRV-UHFFFAOYSA-N 448.386 4.548 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(OCC2CCCC2)CC1 670221526 YLXJXDCTISNPDS-UHFFFAOYSA-N 438.616 4.824 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1(C)C 698866621 JXDSBXZDHZZOLY-LJQANCHMSA-N 435.487 4.858 30 10 IJEE C[C@@H]1Oc2ccc(C3=NN/C(=N/[C@H](C)c4ccc(Cl)cc4Cl)SC3)cc2NC1=O 728062243 KZXUDTSERFHJOB-MNOVXSKESA-N 449.363 4.871 30 10 IJEE COc1ccc(COC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)cc1C#N 747089144 DOSCRBXVCIWGHZ-UHFFFAOYSA-N 444.516 4.702 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCO[C@@H](c4ccc(F)cc4F)C3)c2)s1 777549943 CGRRBKINOTUZBT-OAQYLSRUSA-N 439.487 4.848 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1)c1ccccc1 1083932343 RJQZZIYIFSXGEG-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)n[nH]1)c1ccccc1 1083967896 CFGIEUPQHCSSSP-UHFFFAOYSA-N 448.474 4.781 30 10 IJEE COC(=O)c1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)sc2c1CCCC2 1124560223 FOCFFCFBPYYNLY-UHFFFAOYSA-N 436.489 4.709 30 10 IJEE C#CCCNC(=O)c1cc(/C=C\c2cccc(OC)c2)nc2ccc(Br)cc12 1126066069 QSFDDQVSUZECQV-NTMALXAHSA-N 435.321 4.929 30 10 IJEE COC(=O)CN(CCc1ccccc1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 1127610740 BHGPENKKRRJUKF-UHFFFAOYSA-N 430.529 4.567 30 10 IJEE C=C(CCC(=O)OC)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1147337570 QYWOAYGDVNUSGP-LBPRGKRZSA-N 437.359 4.568 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1163097225 UCBLUWJBCBASNV-SIBVEZHUSA-N 438.527 4.652 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)C1 1163144614 BCVWFWXCHBFQJH-AREMUKBSSA-N 449.599 4.711 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1191624175 CBVVMTPNVRGPFO-LLVKDONJSA-N 436.377 4.978 30 10 IJEE C#CCOc1ccccc1CNc1cccc(N2CCN(CCc3ccccc3)CC2)c1 1201664507 PJYZSNUOFAGPCA-UHFFFAOYSA-N 425.576 4.675 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 1221424603 KXFPCIJCOBLSQD-UHFFFAOYSA-N 438.490 4.504 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)c1ccncc1 1222021635 MGLMYFFHBUFLSL-HLAWJBBLSA-N 444.373 4.617 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)CCCC1(C)C 1223819509 QDVMBRYPDDVSLA-JTHBVZDNSA-N 441.616 4.915 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(-c2ccc(F)cc2F)on1 1248391617 NRNYIGKCZORABG-UHFFFAOYSA-N 429.471 4.685 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1265993994 GCVYJTOXQNKSBN-NSYGIPOTSA-N 444.547 4.585 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)C(F)(F)F)cc1 1272452737 DNWYVLFSGRMDPS-JOCHJYFZSA-N 438.405 4.705 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC(F)(F)C1 1286275673 SPJQUKXIAVHGNO-OLZOCXBDSA-N 441.295 4.740 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1286323656 LGSYMMXXTURSQL-IBGZPJMESA-N 443.586 4.832 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286580551 AAJBKOXKMHDHGS-UHFFFAOYSA-N 431.625 4.836 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1286628604 JMKAUZXEXPHBMI-LEWJYISDSA-N 430.980 4.500 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1286639692 CZWGIVGMSQJPQF-RXVVDRJESA-N 425.533 4.605 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286691477 IGMLJQYEAINXCJ-HXUWFJFHSA-N 445.007 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCS1 1286759628 DWBROCLMZXAOIC-SFHVURJKSA-N 449.418 4.694 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(CCC(C)(C)C)CC1 1286796315 JIHONJLNBYTCNG-NRFANRHFSA-N 439.648 4.963 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCO[C@H]2c2ccccc2)C1 1286811120 ZVTLMZGVGGZHIM-AKFKNWHVSA-N 438.616 4.816 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(CC2CCCCC2)CC1 1286834986 OYBNAEFESAPZIE-UHFFFAOYSA-N 431.694 4.632 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H](C)C#N)n1 1290317228 DRFXNTNYZGJTIH-CRAIPNDOSA-N 438.601 4.638 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1)OC 1291952781 HIMWKIIOGUMTON-OFVILXPXSA-N 439.604 4.925 30 10 IJEE Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1-c1ccccc1Br 1293837033 HTKXXRBINSPHAS-GHTZIAJQSA-N 449.352 4.855 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1295701620 GFEYOVMFAQYJKV-UHFFFAOYSA-N 435.601 4.640 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@]3(C)Cc3cccc(Cl)c3)n[nH]2)c1C 1300244690 KXEICERZOXPHFA-DEOSSOPVSA-N 437.975 4.967 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCCC1 1300324213 BLSDVJDKGVSOQQ-WIYYLYMNSA-N 446.064 4.802 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1300384945 WVXVAQHGNGVUCC-ZEQRLZLVSA-N 430.600 4.888 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1300387017 XYQBKVTXJOOTAY-LJQANCHMSA-N 443.979 4.505 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1cc(C(C)(C)C)no1 1300603540 TXLSMAIUHJHUOC-UHFFFAOYSA-N 442.361 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccc(N(CC)CC)cc1 1300801956 XOAVEWXNPVWJRG-AREMUKBSSA-N 428.584 4.535 30 10 IJEE C=CCC1(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CCCC1 1300859278 QFYLZSYBIAEDMC-UHFFFAOYSA-N 426.582 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](COCC)C1 1300870430 SKTKWZZCENJHEJ-VCOUNFBDSA-N 445.007 4.833 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@](C)(O)c2ccsc2)CC1 1301095762 ODUIMPQFVUXIAD-XMMPIXPASA-N 438.597 4.545 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cc(C)no2)CC1 1301114417 SGYKGKMJWIXGLK-UHFFFAOYSA-N 446.324 4.594 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301197925 SIKLBYJTMRTXJG-UFYCRDLUSA-N 447.624 4.710 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cn(CCCC)nc1C 1301271497 UOOHVWJRANLVHG-UHFFFAOYSA-N 429.572 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccnc1)C(C)C 1301362663 HTIJVHXCWUPUKU-IRLDBZIGSA-N 437.613 4.871 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(C(C)C)C1 1301363075 NZRHXGSNZMLLLY-IRLDBZIGSA-N 443.661 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1CCN(CC)C(=O)OC(C)(C)C 1301363209 PVIJMTHQEUGLOE-UHFFFAOYSA-N 431.606 4.667 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[S@](=O)C(C)(C)C 1301380073 YZCQOIZDCKSSFZ-NDEPHWFRSA-N 441.428 4.978 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3ccc(C#N)c(Br)c3)CC2)C1 1307133452 CCQHCODRUNUZBK-QGZVFWFLSA-N 434.378 4.794 30 10 IJEE N#Cc1cccc(NC(=O)CCN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1307539385 HREMBPGQHFKBEH-HXUWFJFHSA-N 445.350 4.687 30 10 IJEE C=CCC[C@@H](NCc1c(Br)cc(F)c(F)c1N1CCCCC1)C(=O)OCC 1308770027 QATCZWMYCNAPBG-QGZVFWFLSA-N 445.348 4.705 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](CC1CCCC1)c1ccccc1 1309331487 GNPTXOJYBNNISJ-LJQANCHMSA-N 433.371 4.921 30 10 IJEE C#CCN(C(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1)[C@H]1CCCc2ccccc21 1310118858 SVSCYWCWIXPHQE-DEOSSOPVSA-N 442.519 4.594 30 10 IJEE CC#CCNC(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1310478736 POMAIZHDODPBCU-UHFFFAOYSA-N 427.302 4.656 30 10 IJEE COc1ccccc1Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N 1315640786 HITONHUWTKXXPJ-ZDUSSCGKSA-N 446.374 4.564 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2C)cc1C#N 1336367402 LBULUEPGUCDRDQ-UHFFFAOYSA-N 441.516 4.794 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COc1ccc(Cl)c(Cl)c1 1349069347 XYCQTKZQHLVMRD-UHFFFAOYSA-N 425.264 4.502 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)COc1cccc(Br)c1C#N 1349910492 KIWYSHJTXYQJOM-UHFFFAOYSA-N 425.735 4.629 30 10 IJEE C#CCO[C@@H](C)C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1350907033 ACAOKOHZGCVYMD-ZFWWWQNUSA-N 439.364 4.667 30 10 IJEE Cc1ccc(C(=O)c2c(NC(=O)Cc3cccc(OCC#N)c3)sc3c2CCC3)cc1 1354025417 HCGZGDYOLXTLHS-UHFFFAOYSA-N 430.529 4.860 30 10 IJEE COc1ccc2c(c1)CN(C(=O)c1cc(C#N)c(SC)nc1O)[C@H](C1CCCCC1)C2 1354451356 VHVPIDLFRGWUCH-NRFANRHFSA-N 437.565 4.537 30 10 IJEE CN(CCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)OCc1ccccc1 1356122932 GMCPZZGDOXCTEU-UHFFFAOYSA-N 429.476 4.948 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1358908488 YZGOMCQGDZNFJW-LJQANCHMSA-N 440.588 4.548 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1359117904 BQXGAVZWHYFLLT-HZPDHXFCSA-N 438.439 4.733 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 1359130799 WLTAYGKOKFEGTR-HXUWFJFHSA-N 439.585 4.653 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCSC2(C)C)CC1 1359167568 LGFAXKNMHULDES-HXUWFJFHSA-N 426.630 4.760 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1359192703 LYEDESZRLNCPHB-HXUWFJFHSA-N 425.533 4.809 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359218563 NEKKGCWYGWGUNF-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1359234937 HDZPWDKJIPFGTO-HDICACEKSA-N 432.012 4.597 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC(F)(F)CO1 1359266741 KQYVHCWQLFZCKB-YJBOKZPZSA-N 438.906 4.674 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCC1(F)F 1359271860 FPFFOYRKFQSYRJ-XLIONFOSSA-N 430.499 4.795 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC(C)C)nc1 1359274524 QAWBWQVLQFXCQL-IFMALSPDSA-N 439.604 4.606 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1c(CC)noc1C 1359275101 KPXJSVCZNDDUQV-UHFFFAOYSA-N 431.540 4.989 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCc1ccsc1 1359278742 FFVUYHQBUIDNJF-UHFFFAOYSA-N 447.402 4.651 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359290215 OFFILPHVTFBKSG-SFHVURJKSA-N 443.617 4.510 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C1CCCCC1)N(C)C 1360478308 IAIHSCJDBMZFEW-CYFREDJKSA-N 447.631 4.599 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)c1cn(-c2cccc(Cl)c2)nn1 1436238050 AQZJIYAKMUESLI-UHFFFAOYSA-N 430.851 4.942 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F 1455230051 ZXZAAFFREUTRTO-FUHWJXTLSA-N 447.375 4.535 30 10 IJEE C=CCC[C@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)c1ccc(C(F)(F)F)cc1 1458178279 ZCCPNURWBATZDH-IBGZPJMESA-N 429.442 4.547 30 10 IJEE C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1459631167 AWLFCQYUFSVBGT-ZDUSSCGKSA-N 438.742 4.635 30 10 IJEE C=CC[C@]1(C(=O)NCCn2ccc3cc(Cl)ccc32)CCCN1C(=O)OC(C)(C)C 1459970265 DTXIJHKFTWOJOP-HSZRJFAPSA-N 431.964 4.757 30 10 IJEE N#Cc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1Br 1461022571 DMYNKMIYUYMSMJ-UHFFFAOYSA-N 437.322 4.878 30 10 IJEE Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C3)cc1 1464836923 GSSQPKOVSDBEAP-UHFFFAOYSA-N 446.457 4.987 30 10 IJEE N#CCCN(Cc1ccccn1)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1 1467012146 AHRYWOFJEGRXMM-UHFFFAOYSA-N 432.431 4.567 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2cccc(Oc3ccccc3)c2)CC1 1467783835 GHMSOGJEKVNCPV-UHFFFAOYSA-N 430.483 4.521 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C(F)F)c2ccccc12 1470961835 YHFBBVSJICVTID-HNNXBMFYSA-N 427.879 4.689 30 10 IJEE C#CCN(C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)C1CCN(C)CC1 1472033767 HUCDVLSEGNXNIS-UHFFFAOYSA-N 449.982 4.543 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1478325234 VTCGNWCSDANFBZ-LJQANCHMSA-N 436.314 4.636 30 10 IJEE C[C@@H]1C[C@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccccc2)C1 1478416772 ACTDBZPQNRVKNJ-ANJVHQHFSA-N 427.552 4.730 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 1478806904 VTUUWJAYPGBZGS-DEOSSOPVSA-N 435.568 4.522 30 10 IJEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCC2)C1 1494763708 HGLPUFZGGDKDBX-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1495561768 HYLPSLWDZGTLSY-MHPIHPPYSA-N 439.604 4.818 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507532653 IGHZWCZEMDDRNX-JXHRLWIKSA-N 447.583 4.899 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1507558253 HANNZBQLIWIXAV-UHFFFAOYSA-N 446.580 4.794 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC1CC1)C1CCC1 1507578323 YVQOGBPIFKLWBU-UHFFFAOYSA-N 443.389 4.899 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC2(CCCCC2)O1 1507605587 WDQVTUDXCKFXFI-LJQANCHMSA-N 443.389 4.659 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1cnn(CC(C)C)c1C 1507700733 TUFFFVSPDKWFOT-UHFFFAOYSA-N 434.563 4.534 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H]1CC=CCC1 1507748670 MCHYFSBLJREZLE-QGZVFWFLSA-N 431.005 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1 1507806019 LYJJICBGKBVKQK-DHLKQENFSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCSC1 1507819636 UIDBLPHRQVCSBR-RTBURBONSA-N 449.665 4.548 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(O)CCC1)C1CC1 1507995050 CBLSUPVCSPQRHA-UHFFFAOYSA-N 437.371 4.624 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@@H]1C 1507998050 JODPLHPRDUXUFK-LIRRHRJNSA-N 442.361 4.818 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCC(C)CC1 1508004860 RGPIGVFGEAJKDH-NHXWLTBQSA-N 438.616 4.960 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1(CC)CCOCC1 1508007835 GUBFROOZWHPKOV-UHFFFAOYSA-N 449.574 4.802 30 10 IJEE O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 1519371236 DLUPCOCPCNLBJK-HNNXBMFYSA-N 436.327 4.679 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc(Br)cc(Br)c2)cc1 1520958356 RACDCPYUFAMGNT-UHFFFAOYSA-N 425.120 4.706 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@H](Oc3ccccc3)c3ccccc3)CC2)c(Cl)c1 1524576921 CFHDHHQBFPGJMB-XMMPIXPASA-N 431.923 4.681 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 1525050091 LFZNRBXCJMAONW-GFCCVEGCSA-N 439.291 4.890 30 10 IJEE C=CC1CCN(C(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)CC1 1531323450 REDILSRKPQYLAV-UHFFFAOYSA-N 441.391 4.800 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1532324750 KRPLRLNUAKRRMM-QPPBQGQZSA-N 440.609 4.832 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)C1CCCCC1 1538974727 YPHFGTCTXAUHKK-BCHFMIIMSA-N 431.584 4.591 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)CC=C 1539241609 GAOZYSHJYCDQHH-UHFFFAOYSA-N 429.337 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC=CCC1 1539614531 AGGZYUUTQZDEDU-WFXMLNOXSA-N 428.964 4.819 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CC)C1 1539639606 AGOHIKKTIFLAGS-PWHSHALESA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H](c1ccccc1OC)N1CCCC1 1539661864 LVMJKJRIMGQXEF-HSZRJFAPSA-N 446.599 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)CC 1539902351 FHCILTJSGWYCQL-QGZVFWFLSA-N 446.665 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(COC)CC1 1539928719 GLEYFLOHISNKJN-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCCOC2)C1 1539986435 YSRUCUMEBPMGMW-LJQANCHMSA-N 437.407 4.742 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCO[C@H]1CCCC[C@@H]1C)C1CC1 1540099446 ZJJSDWFWCLXXLT-KXBFYZLASA-N 448.409 4.786 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1oc(CC)nc1C 1540178157 XYZBXXGHTKNDAD-UHFFFAOYSA-N 431.540 4.989 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Cc2sc(SC(F)(F)F)nc2C)cc1 1540674092 CJLPBLNKDPZQOR-UHFFFAOYSA-N 430.477 4.552 30 10 IJEE C=CCn1c([C@H](C)CC)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1540853941 WKIITCUFPNNTPR-CQSZACIVSA-N 427.902 4.976 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2OCC(F)(F)F)C1 1540882277 FTRZTSGGAOLMCC-WMZOPIPTSA-N 438.494 4.562 30 10 IJEE C=C(C)[C@@H](NC(=O)/C=C/c1cc(Br)c(O)c(OC)c1)c1ccc(F)c(F)c1 1556261462 KUROOHAIDJCHNI-ZLHKHBAESA-N 438.268 4.888 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccccc1 1558133722 SFMZZGNJZRNSEX-GOSISDBHSA-N 426.460 4.776 30 10 IJEE COc1ccc(-c2csc(NC(=O)CSc3ccc(C#N)c(C)c3)n2)c(OC)c1 1559428889 AWVKRWKOOCALBV-UHFFFAOYSA-N 425.535 4.738 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F 1560507784 AJCNECKDUHBRKB-AWEZNQCLSA-N 448.379 4.702 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCC)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1561361158 HWELYPHDIQESJW-UHFFFAOYSA-N 436.618 4.605 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1564599531 MKXWPFGVSOYVFN-IAGOWNOFSA-N 425.248 4.769 30 10 IJEE C=C(CNC(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1)c1ccccc1 1564882738 ZBIYVCWBTQWOLY-UHFFFAOYSA-N 428.536 4.755 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1565445146 SGSPTUGMLHSQAW-GMAHTHKFSA-N 439.600 4.889 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(Br)cc(C)c3C2)cc1OC 1583612352 WRUPRECQKVNXHX-VURMDHGXSA-N 442.353 4.929 30 10 IJEE C/C(=C\C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 1585483953 KNOZQAQQFJZDJG-FYWRMAATSA-N 429.442 4.882 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 1587773294 HNPJSKFIYVNQPJ-OAQYLSRUSA-N 435.597 4.787 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1589078376 NCAGYJMDRZXMGF-OAQYLSRUSA-N 447.048 4.674 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@@H](c1ccco1)N(CC)CC 1589192572 ZNDPKMDKHNVMCO-HFZDXXHNSA-N 447.583 4.622 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)CC 1589505427 MFBNJVFTSQODIU-SIKLNZKXSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1589543735 BEFORBIBZHUKPB-NZQKXSOJSA-N 439.991 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1589544437 HFZQSGDJKHLJAJ-ZCYQVOJMSA-N 431.584 4.623 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1594824462 IBRNOXHLAFNPEC-IBGZPJMESA-N 443.642 4.672 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1594992876 UZROUFFDLHELQA-VXKWHMMOSA-N 434.632 4.661 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1Cc1nc(C)cs1 1595243782 FEMIULXSJKSPEN-UHFFFAOYSA-N 435.553 4.595 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1ccc(Cl)s1 1595261651 TXXWBNNWNHQVMR-KRWDZBQOSA-N 447.004 4.958 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOCC2(CC2)C1 1595844717 HQPBVDFQAWYTTB-KRWDZBQOSA-N 449.020 4.608 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](CC)C1 1595855099 YHIVXNAZQSQIHK-HNNXBMFYSA-N 427.014 4.989 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1 1596506144 JRWSMWONGAFXBC-HXUWFJFHSA-N 446.979 4.650 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCSC1 1611734515 HRMFSULBSYPWID-MJGOQNOKSA-N 443.592 4.830 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccc(C=O)cc2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1616305467 IUFMLSYXKHPSDW-SANMLTNESA-N 441.527 4.969 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 1617141785 YEZLIUGCIOSNAP-DEOSSOPVSA-N 426.495 4.516 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 1618049874 OLNZUJFSNMQAMH-DENIHFKCSA-N 428.573 4.634 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 1621024095 JKRRYKYQSFIPBG-HBGVWJBISA-N 432.992 4.866 30 10 IJEE C=CCCn1cc(CN2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)nn1 1621513002 AHISUWKJZZILTJ-UGKGYDQZSA-N 431.625 4.540 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)cc1OC 1629681629 LAAPMXJENGNZAL-CSKARUKUSA-N 447.453 4.873 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(Cl)ccc3NCCC)ccc2c1=O 1630566906 IQTYBOMIQRNHCM-UHFFFAOYSA-N 428.945 4.599 30 10 IJEE C#CCN(CC(=O)N(Cc1ccccc1Br)C1CCCC1)C(=O)OC(C)(C)C 1631524296 KCTWNWZCZDBGSB-UHFFFAOYSA-N 449.389 4.591 30 10 IJEE C=C(CCN(C)C)C(=O)Nc1ccccc1Oc1cccc(I)c1 1632838202 GBIBUHAMPIXSCU-UHFFFAOYSA-N 436.293 4.530 30 10 IJEE C=CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2F)nnc1-c1cccc(Cl)c1 1641018990 GUPBDDNZPHHNEX-UHFFFAOYSA-N 432.864 4.807 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1ccc(Cl)cc1 1642102994 JOPKZZBILMMDQA-CRAIPNDOSA-N 427.932 4.558 30 10 IJEE C=CCn1c(SCCOc2ccc(C(=O)OC)cc2Cl)nnc1-c1ccc(F)cc1 1651635468 BJAMTQXHYFZUBV-UHFFFAOYSA-N 447.919 4.881 30 10 IJEE N#Cc1ccc(C(F)(F)F)nc1N1CCN(c2cccc(OCc3ccccc3)c2)CC1 1652171118 HQWVWDGKGGOPPX-UHFFFAOYSA-N 438.453 4.878 30 10 IJEE C=CCN(Cc1cc(Br)cc(C)c1O)[C@H](Cc1ccccc1)C(=O)OCC 1652206363 JDDCANXLUARKIU-HXUWFJFHSA-N 432.358 4.626 30 10 IJEE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 1653664369 DSNRGKOULUVYAY-WAIKUNEKSA-N 448.995 4.603 30 10 IJEE C#CCCOc1ccc(CNCc2ccc(Cl)cc2I)cc1 1657273794 ZRZHCHHZHYDYSW-UHFFFAOYSA-N 425.697 4.637 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(Cl)ccc1N1CCSCC1)C(C)C 1658917498 HPOCAVMQLWMRSP-OAQYLSRUSA-N 437.053 4.713 30 10 IJEE C=CCC1(NS(=O)(=O)c2ccc(Br)cc2Br)CCCCC1 1663942730 RYRVIVBWDBXTDE-UHFFFAOYSA-N 437.197 4.769 30 10 IJEE C#C[C@@H](N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC)c1ccc(Br)cc1 1664837885 KOWRDEGUNKDMMZ-SUMWQHHRSA-N 435.749 4.792 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(Br)cc1 1668411029 QOKKXSMNKZQDOM-QZTJIDSGSA-N 447.304 4.642 30 10 IJEE C[C@H]1CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1CCNC(=O)OC(C)(C)C 1668886350 HLAHILLWEPTEDV-FUHWJXTLSA-N 431.581 4.662 30 10 IJEE COc1cc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2)ccc1F 1671071123 AJGRMPWNJILXPW-UHFFFAOYSA-N 446.482 4.852 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)c1ccccc1 1671795219 LGXSCICCNAQBBF-QFIPXVFZSA-N 433.533 4.600 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)CC1 1672321036 CWYKJFFOOPHKDU-UHFFFAOYSA-N 427.570 4.972 30 10 IJEE C=CCOc1cccc(NC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C)c1 1673782455 IPKAYLOKKLIURO-GOSISDBHSA-N 429.561 4.895 30 10 IJEE C#C[C@H]1CCCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)C1 1680377223 NNJWWYSJWPOBSC-GJZGRUSLSA-N 432.387 4.997 30 10 IJEE C#CCN(C(=O)NCC1CCC2(CC1)CC2)[C@@H]1CCOc2ccc(Br)cc21 1684411235 GOLVRENGLYAVRT-LJQANCHMSA-N 431.374 4.888 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21)c1ccc(C(F)(F)F)cc1 1685817300 LDVCBQWAYIOBND-UXHICEINSA-N 431.458 4.725 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCc1nc(C(C)(C)C)cs1 1690001804 SNIQPHHTEGWEON-OAQYLSRUSA-N 445.636 4.890 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCc1csc(C(C)C)n1 1690038181 GNKPJNHVULTOIQ-UHFFFAOYSA-N 438.000 4.884 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1690048397 ISPFCQFDSFYZET-ZCYQVOJMSA-N 432.612 4.806 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(c2ccsc2)CC1 1690177443 WCUBELZMHHSKFM-UHFFFAOYSA-N 440.613 4.820 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H](O)C1 1690260263 FQFRSOQCHINRQV-IRXDYDNUSA-N 433.394 4.661 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCCc1ccccn1 1690328976 RRVJGFUSPHQOJP-QGZVFWFLSA-N 429.927 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cccc(F)c1 1690419461 SPPNJDJXIDQNTB-FQEVSTJZSA-N 425.552 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](OC)[C@H](OC)C1 1690422639 VMCLNZPKFLBKIL-QRQLOZEOSA-N 444.645 4.584 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCc1nccs1)c1ccccc1 1690445375 WPRZUKJWHZUBHQ-NHCUHLMSSA-N 437.613 4.667 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Br)cc2)n1CC1CC1 1690605213 BAQSZQPGCJYWHT-UHFFFAOYSA-N 427.346 4.946 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705521020 NZTJHNOKGKUDAF-GGAORHGYSA-N 449.643 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705696692 ICMCLEJRWDKGNW-FKPGQJDZSA-N 446.542 4.662 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCSC2)CC1 1705785281 CCNATFJJUGLPSI-OALUTQOASA-N 447.649 4.506 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1Cc2cccc(Br)c2C1 1705791965 JJDLQEVWSJMPSJ-MRXNPFEDSA-N 431.378 4.667 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)CC=C)C1CC1 1705856133 GQKVTRLSHUDNPC-HDICACEKSA-N 429.609 4.806 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1nc(C)c(C)s1 1705856276 NHRXTETZEPBMOR-UHFFFAOYSA-N 425.602 4.898 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C#N)o1 1705857492 WJNCRAKGDHCTCK-UHFFFAOYSA-N 429.480 4.561 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705870705 OLYKOHKWXMOVQO-REWPJTCUSA-N 428.964 4.505 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCc2ccc(Cl)s2)C1 1705918843 RDBVCPKWPRMANM-KRWDZBQOSA-N 428.989 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@H]1C(C)C 1722282874 PFBVBKBCYFOLHI-FVJLSDCUSA-N 430.980 4.516 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1CCC(OC)CC1 1722406826 KMLKNCYOOITXLR-XEVCZEQESA-N 428.552 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCN1C[C@H](C)C[C@@H](C)C1 1722472089 AVFPZVWNTUVJDP-VHFRWLAGSA-N 433.644 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1722494346 LZBUFMSLJWPAHX-HQRMLTQVSA-N 430.980 4.583 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1722569401 YPTCXASXVYFQJU-QFIPXVFZSA-N 435.641 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CO)CC1 1722586079 RWROSSOHYNQARK-QGZVFWFLSA-N 428.646 4.942 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ncc(CC)s1 1722599747 HNEFNFLKJSBIIV-UHFFFAOYSA-N 449.584 4.606 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1 1722607030 YHYGQFAOGMAOPD-UHFFFAOYSA-N 436.629 4.511 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1722646718 UPOXLILQDUJKCN-UHFFFAOYSA-N 428.993 4.951 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCCCO1 1722654640 RNIRZXACSTYBKO-GOTSBHOMSA-N 440.588 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)Cc1cccs1 1722666265 MIQKXQDTNQXSQA-SFHVURJKSA-N 436.581 4.835 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCO[C@H]1C(C)C 1722677737 MMIHCTQBMAHQGD-QPPBQGQZSA-N 449.599 4.583 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCCC1 1722678768 XZBUEFMFXGAAFU-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccnc(SC)c2)C1 1722717139 FBWPQBIATIHPQF-IBGZPJMESA-N 441.988 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1nc(C(C)C)cs1 1740546854 YYKTWBJXZHNTFX-AWEZNQCLSA-N 444.402 4.794 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCc1csc(C(C)C)n1 1740603275 LSSQLVPOTKNWNZ-UHFFFAOYSA-N 444.402 4.600 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCCc2sccc2C1 1740721758 SHQRHAUWTHYEIV-UHFFFAOYSA-N 438.622 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC[C@H](OC)C(CC)CC 1740732811 QSACTDPSFYNPJS-WIOPSUGQSA-N 426.580 4.841 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC1(CCOCC)CCCC1 1740733717 PHSAXTVXUBIJAG-HSZRJFAPSA-N 441.645 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)CCOCC 1740757867 XYKUBZONCKNHDO-UZLBHIALSA-N 436.959 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C[C@@H](C)CC 1740758543 YXVBHMHYDJHQJX-HFMPRLQTSA-N 448.615 4.984 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1ccsc1 1740804839 GHJBBJGOKODQBL-GOSISDBHSA-N 449.001 4.504 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)c1ccccc1 1740854127 LKTTYDSQSQOIGP-ACRPFTAZSA-N 438.616 4.924 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740858600 VQYJDCCYKUYFSG-ZCNNSNEGSA-N 429.584 4.832 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@H](C)C1)C1CC1 1740910327 CNUWKIRWJCYLLU-HSALFYBXSA-N 443.636 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1OCCCC 1748655438 XYDDHXMBGQCWFZ-INIZCTEOSA-N 441.938 4.818 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)=C(C)C1 1749133989 SPKUFICNRJADFU-MBSDFSHPSA-N 428.527 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN(C)CC(F)(F)F 1749148971 MSNYNFDWZNGMEU-UHFFFAOYSA-N 445.917 4.504 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1749331369 ZBSVDAFZZUYHCO-LQWHRVPQSA-N 442.526 4.626 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCn2cc(C)nc21 1749383581 AFLUJSJEVACFPR-NRFANRHFSA-N 433.604 4.914 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 1749385004 LCFQXKPHGYSUKY-FGZHOGPDSA-N 432.616 4.954 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1Br 1749507102 SDDVCOAZSUOOLK-SJLPKXTDSA-N 433.394 4.630 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCO[C@@H]1CCCC[C@H]1C 1749560756 AKAYBZDFNWNJHE-VQIMIIECSA-N 448.409 4.809 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 1749685557 GOZKXEHLVMKRJS-PKTZIBPZSA-N 438.616 4.733 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760164706 YKMQYYWAVCGGPA-QZNHQXDQSA-N 438.616 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCCN(C)C1CCCCC1 1760297120 IEJHFTVXVOELBM-HHHXNRCGSA-N 449.643 4.546 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(Cc1ccco1)C(C)C 1760320394 UTMSHIGVVUFOIK-XXBNENTESA-N 436.556 4.943 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1C(C)C 1760351133 ACBLUAXWCWWHPI-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1760353110 HOCOIDKOWAFEHT-UHFFFAOYSA-N 433.478 4.578 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccc(Cl)s2)CC1 1760385221 MVYJQUCIGULYRL-UHFFFAOYSA-N 429.933 4.967 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCn1nc(C)cc1C 1760455546 RXDGYOSPCAOFDK-UHFFFAOYSA-N 443.599 4.878 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)c1cccs1 1760457588 YOWZJEXUERTVGJ-NYHFZMIOSA-N 428.627 4.723 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ncc(C)s1 1760484971 OYWHVGZPEVATJQ-QFBILLFUSA-N 441.576 4.682 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CCc1ccccn1 1760485546 ICBBSPLITRILHP-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CCc1nccnc1C 1760485848 SPDHEDXMKPETDL-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760500033 SJJPJGHQNJZUBB-HFZDXXHNSA-N 448.615 4.679 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC2CCCCC2)CC1 1760567483 CUCDUZAMKCEFIC-UHFFFAOYSA-N 445.702 4.552 30 10 IJEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC(C)(C)C 1761030963 BNNJLMQRZNRDTC-UHFFFAOYSA-N 436.648 4.887 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(C)CCCS2)cc1C 1761832023 FTDYUEVLXBJDOV-BJKOFHAPSA-N 439.629 4.890 30 10 IJEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCCC2(F)F)cc1OC 1765967603 AAXHQGMAPXGVEX-SJLPKXTDSA-N 447.530 4.774 30 10 IJEE COc1ccc(OC)c(/C=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c1 1772738626 QBGPJBHVWRYXCR-NLUKZUHQSA-N 444.582 4.800 30 10 IJEE CCOC(=O)c1cccc(CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)c1 1860466522 XTUHBGZRGYXRBH-UHFFFAOYSA-N 425.897 4.843 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862452454 CHUUFWRMFJNOPL-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC)cc1 1862462054 SXWAIFSBIAAPMZ-FQEVSTJZSA-N 433.426 4.881 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862465811 WUXFCENHTUUXRL-LJQANCHMSA-N 428.326 4.992 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc(Cl)c1)c1ccc(Br)cc1 1862470270 JPONPSMNWUVQIN-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2C)cc1 1862475842 VUKOKAVMOSRINP-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1 1862476284 HSNKYFVCVCXTOS-NRFANRHFSA-N 435.911 4.514 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OC)cc1 1862524821 ONFKFNHKYZUABK-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(O)c1 1862596311 DWMDXEUMRHMSMZ-LJQANCHMSA-N 431.410 4.932 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)c1 1862703675 XBIOOOKSIFHSSJ-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862741437 RNHXDLSOYDQFRT-LJQANCHMSA-N 438.823 4.620 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863128320 HTEQDWZWTLZMQO-UHFFFAOYSA-N 446.466 4.639 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3ccncc3)C2=O)c1 1863284325 LMNSFGQHKWSMNX-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1cccc(Cl)c1C 1871028997 CAHJXOVVLFNZET-UHFFFAOYSA-N 432.948 4.576 30 10 IJEE Cc1ccc(C)c(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H]2CCCO2)c1 1871251952 DMJXYZDRDVPCNN-XMMPIXPASA-N 443.547 4.707 30 10 IJEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666176 ABDHFUJXFYKPSB-UHFFFAOYSA-N 426.609 4.620 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871993037 PUAORUCTSNSYME-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1[N+](=O)[O-] 1872766602 IPECSGIVLWDXDH-CQSZACIVSA-N 428.420 4.553 30 10 IJEE Cn1ncc(N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1=O 1873526021 JRGKVRNWCYEFOM-NUGSKGIGSA-N 437.714 4.766 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCO)cc1OCC 1874441075 HVMVNJJDINYOGN-JJIBRWJFSA-N 448.633 4.801 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)cc1 1874466352 YSSJWGKZYXEOAN-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2)cc1 1874483595 CQVZQQFLFASHGK-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccs2)cc1C 1874488765 IUVZAJWFARHNJH-WSDLNYQXSA-N 427.599 4.768 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2C2CCC2)cc(Br)c1OC(C)C 1874491786 JCUNVZDESLQEMC-KEBDBYFISA-N 439.379 4.708 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccs2)c(C)c1 1874499010 VMUMUZSIBSJMFJ-WSDLNYQXSA-N 425.583 4.837 30 10 IJEE COc1cc(Br)cc(/C=N/n2c(C)nnc2SCc2ccc(C)cc2)c1O 1874529295 BKABROHQQAWKGS-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1C 1874574047 RYNPLLRWTBBODU-VMPITWQZSA-N 439.895 4.841 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1OCCO 1874586748 CNNAMDAUTOWWMV-VOTSOKGWSA-N 433.342 4.959 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1OC 1874593883 GPDHTEQAVMIWCB-FMIVXFBMSA-N 447.487 4.626 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875117436 GBMHAOKZPXWBAV-IZZDOVSWSA-N 440.408 4.503 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])c(OC)c1 1875126778 CCRVENKQJLPYTO-XYOKQWHBSA-N 447.443 4.656 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)COC 1875179923 ICPOJTHOFRRCCH-CMDGGOBGSA-N 444.911 4.842 30 10 IJEE COCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1Br 1875187783 HKWDENTXWRMBKU-FNORWQNLSA-N 433.298 4.522 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)Nc2cc(F)cc(C(F)(F)F)c2)c1 1891354212 CJEMONQATWLIES-UHFFFAOYSA-N 437.437 4.895 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1955674409 NUUSIENROIUMBQ-HYBUGGRVSA-N 427.545 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(Br)cc2C#N)CC2(CCC2)C1 1966422136 XWLUPSQNIPRZAT-GOSISDBHSA-N 434.378 4.590 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccs2)s1 2033813799 HIZORWOTUAFUJA-IBGZPJMESA-N 439.514 4.625 30 10 IJEE O=C1[C@@H](c2ccccc2)SC(=NS(=O)(=O)c2ccc(Cl)cc2)N1c1ccccc1 2040469505 ADOPIQMSCCFUHR-LJQANCHMSA-N 442.949 4.906 30 10 IJEE COc1ccc(CN2C(=O)C(=Cc3ccc(O[C@@H](C)C#N)cc3)c3ccccc3C2=O)cc1 2041466200 YJCVPTWEFWJHEF-SFHVURJKSA-N 438.483 4.709 30 10 IJEE C=CCC1([C@@H](NC)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2136320176 MZMGCDIAGAUMTN-KRWDZBQOSA-N 425.367 4.531 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ncc(Br)cc3C#N)CCCCC[C@H]12 2162340558 BLOXBFXFFSAHLC-OXJNMPFZSA-N 435.366 4.840 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2Nc2cc(Br)cc(F)c2C#N)C1 2163687628 FVJYFHOFVNSMTL-XGWLTEMNSA-N 438.341 4.907 30 10 IJEE CCN(c1cc(Br)cnc1C#N)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174709776 JQLXYOWFBNLYDK-WMLDXEAASA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)NCc2ccc(C#N)cc2)c1 2181053513 MKQZZKGPCNJSNA-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181099926 FPBVNALRMRTUFC-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)cc1Br 2181106857 AKLYIMDHDJZASN-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(Br)c1 2181108878 XZZZWHZDGNIHSK-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C#CC(=O)Nc1cccc(C(F)(F)F)c1Br)NC(=O)OC(C)(C)C 2202915044 DCYOJUDRDPONIZ-UHFFFAOYSA-N 449.267 4.713 30 10 IJEE CC(C)(C#CC(=O)Nc1ccc(C(F)(F)F)cc1Br)NC(=O)OC(C)(C)C 2202917352 XCLDNJIMBCSCHH-UHFFFAOYSA-N 449.267 4.713 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(c3cc(Br)ccc3C#N)C1)C2 2234941969 PRZXYFPYYBHSBT-QVKFZJNVSA-N 434.378 4.937 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1C#N 2243924195 CRUJWMVKRYRFIB-PISWEHOVSA-N 445.563 4.748 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@H](O)C#CC2CCCCC2)C1 2251469091 UIOIVTSCRJPNCT-ZEQKJWHPSA-N 427.585 4.775 30 10 IJEE C=CCCC1(C(=O)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2263766537 OAOWQAPPPIYCFU-UHFFFAOYSA-N 430.364 4.905 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2ccc(Br)cc2)cs1 2278785735 ZDGSAJIZGMYCAA-LRDDRELGSA-N 437.359 4.576 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(O)C#Cc1cccc(Br)c1 2296225736 YKQWKWARXRYXNR-VGOFRKELSA-N 434.374 4.637 30 10 IJEE CCN[C@H](C#Cc1cnn(C2CC2)c1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2318163915 LSGWFBAOTWGXFA-QHCPKHFHSA-N 436.600 4.765 30 10 IJEE O=C(C=Cc1ccc(F)cc1)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323044083 MVVLKQLKFNJWHN-UHFFFAOYSA-N 431.375 4.969 30 10 IJEE CCCCCOc1ccc(C=NNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC 2323379557 NWQHBXKVJIHLCY-UHFFFAOYSA-N 432.586 4.892 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1OC(=Cc1sccc1C)C2=O 2323992487 ZKEREFAIBUCUJS-UHFFFAOYSA-N 443.565 4.852 30 10 IJEE Cc1cc(O)c(CN2CCC(N3CCCCC3)CC2)c2c1C(=O)C(=Cc1cccs1)O2 2324210182 RWYZCYRZIDVJPB-UHFFFAOYSA-N 438.593 4.829 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4OC)ccc3C2=O)cc1 2325118243 ONUPYCOMDQRPQG-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccccc1F 2325721138 TWYZTRUZRMKYCS-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccco1 2325902170 YDGHFNCLCKKIEC-UHFFFAOYSA-N 426.542 4.614 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2N=Cc2sccc2C)c(C(C)(C)C)c1 2325907967 BFRMIVQKMXXDDO-UHFFFAOYSA-N 444.626 4.800 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(OCCC)cc1 2326426303 YZVVUQPZOOTIDO-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1C(=O)O 2326545801 KBNVCAAXLBSSAR-UHFFFAOYSA-N 444.944 4.901 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(C(=O)O)cc1 2328730939 UDZWHHWDBYGHAS-UHFFFAOYSA-N 436.537 4.538 30 10 IJEE COc1cc(Br)cc(C=Nn2c(SC)nnc2[C@H](C)c2ccccc2)c1O 2330047709 OQRNLNQOBPVYDB-GFCCVEGCSA-N 447.358 4.511 30 10 IJEE CCCNC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2330085664 ARYWACQIGFVOSP-MRXNPFEDSA-N 441.988 4.584 30 10 IJEE CCc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)N(CC)CC)cc1 2330221549 AYRDQJOLVGVOIX-UHFFFAOYSA-N 441.645 4.806 30 10 IJEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)c1O 2330965589 ABZXCDBYAZCDNJ-HXUWFJFHSA-N 438.553 4.635 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2cccs2)c1 2331118910 IUZSFLWVWJOSRU-UHFFFAOYSA-N 439.488 4.588 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(CC)cc1 2331319774 JBSZAXHGEBCFTL-UHFFFAOYSA-N 439.560 4.935 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(F)cc1 2331327773 SUPDQHUQJIIKFO-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)c(C)c1C 2331618402 WCWMNKJBGTYWMO-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE N#Cc1ncc(Br)cc1OCc1cc(I)ccc1Cl 2352251252 DIEFDRNIKTZYFJ-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 17095129 HTWKSBDSVHKZEH-ASSNKEHSSA-N 426.854 4.934 30 10 IJEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(C[C@@H]3CCCO3)C4)C2=O)c2ccccc21 41589086 DJJBCGGQOVHWAO-QMFCMINHSA-N 444.531 4.917 30 10 IJEE O=[N+]([O-])c1cc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)ccc1Cl 100037822 JABBKGOWFQRPSA-OEAKJJBVSA-N 441.896 4.750 30 10 IJEE COc1ccc2c(c1)N(C)/C(=C1\S/C(=N/c3ccc4ncccc4c3)N(C)C1=O)S2 103863066 NYIYQEGKXPCFFK-FZBJWRKTSA-N 434.546 4.847 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 169965050 NWCUJKJBKQUYMW-XMMPIXPASA-N 443.499 4.796 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 170011663 WMJVHJUSBDRFGO-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2ccncc2)c1 170022693 KTDFLNJEMSDPTN-OAQYLSRUSA-N 434.879 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 170184499 NJZLNZQZMRVWNB-IBGZPJMESA-N 426.806 4.796 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1 170188554 GQHGWJMISJBIEL-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCC)c(OC)c1 170216449 ZJMUAUBMGKGTMN-OAQYLSRUSA-N 427.472 4.530 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 170231236 BPDPHKMIVZZYPK-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(C(C)C)cc1 170244582 BQFGHMSENNGVID-QHCPKHFHSA-N 437.536 4.660 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)ccc1Cl 170261719 DZEZCOFTRIOQPY-NRFANRHFSA-N 441.911 4.965 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)c1 170275146 DEVNXPGUZKDDMV-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@H]2c2ccco2)c1 170278615 UIOXUYYQVSVGNJ-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c1)C2=O 210086257 CAJYMKCBVMULTP-WSDLNYQXSA-N 431.400 4.829 30 10 IJEE CCC(=O)OCCCCSc1nnc(N/N=C/c2cccc(Oc3ccccc3)c2)[nH]1 253578942 YYZXYBUYIBUOSZ-XQNSMLJCSA-N 439.541 4.869 30 10 IJEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccccn1 255587288 DZENYHNJSPWMDU-OAQYLSRUSA-N 448.523 4.690 30 10 IJEE N#Cc1cc(F)c(CNc2cc(Br)ccc2I)c(F)c1 312598025 OPTJDOLRLROCAK-UHFFFAOYSA-N 449.036 4.816 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 407833958 WTYDZFYFKKIBKE-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCCC(F)(F)C2)c1 427340716 WTGFDFCJVLKQPF-QGZVFWFLSA-N 429.492 4.597 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1cc(Br)cc(Br)c1)CCCC2 484155946 FVSLSDLUNMINGF-UHFFFAOYSA-N 435.119 4.609 30 10 IJEE N#C[C@H](NC(=O)CCc1cc2ccccc2nc1O)c1ccc(OCc2ccccc2)cc1 502941123 OCKZIMSFSAPESY-VWLOTQADSA-N 437.499 4.833 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](c2ccccc2OC)C1 508479835 BVSWXLDAACFYCS-INIZCTEOSA-N 439.357 4.896 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])o2)c1 526488743 MRAJTUXABUOBCU-NRFANRHFSA-N 431.404 4.515 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccc2OC)cc1OC 526515525 IXIKXXIUDNHILP-XMMPIXPASA-N 442.471 4.641 30 10 IJEE N#Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 526659147 JZSMSMVGWKSYPN-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(OC)c(OC)cc1OC 526825136 KVBGDVNCILSRAU-CFRMEGHHSA-N 444.532 4.570 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)[C@@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)CCN1 585826293 QNSLHIMYKNIPFC-YGEFIYNQSA-N 441.959 4.653 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCc3sccc3[C@H]2CC)cc1OC 732214939 YWNXFEFHAIEWTC-LJQANCHMSA-N 430.570 4.822 30 10 IJEE CCn1c(CSc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)nc2cc(F)ccc21 741849522 HMFGWKDJOZQJPG-UHFFFAOYSA-N 435.484 4.530 30 10 IJEE CCOc1cc(CNCc2ccc(OC)c(C#N)c2)cc(Br)c1OC(F)F 746743459 YFSGNEGARKIYII-UHFFFAOYSA-N 441.272 4.619 30 10 IJEE N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)cc1 769959920 FISYSGMXUAKMEA-JOCHJYFZSA-N 437.446 4.927 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(F)c(Cl)c1 799213956 BHXLETFZJVMTQE-GOSISDBHSA-N 447.919 4.662 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1CC(C)(C)C 812182088 BTULAXOWGZTYPY-FQEVSTJZSA-N 425.577 4.686 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCc3nc4cc(C)ccn4c3[C@H]2CC(=O)O)c1 821244200 GMSOQYATFWYKKA-OAQYLSRUSA-N 446.551 4.695 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccn1 1125139521 FXBADXCETYHUGE-UHFFFAOYSA-N 431.452 4.740 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3-c3ccc(Cl)cc3)CC2=O)cc1 1125672513 HHFOOSZSDHCZCZ-FQEVSTJZSA-N 429.907 4.548 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C4CCC(CCCC)CC4)[nH]n3)cc2C1=O 1163968467 ZIHDGBCXAJWFFZ-UHFFFAOYSA-N 434.540 4.908 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1cccc(OC)c1 1188899315 NZDJDYITBAEZAG-IBGZPJMESA-N 443.956 4.670 30 10 IJEE CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C#N)cc1F 1190887947 HFJQLJROFCOKRW-GOSISDBHSA-N 428.451 4.652 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(Br)cc(C(=O)OC)c1C 1206544960 SCXWLLNUUPZMHX-QGZVFWFLSA-N 431.330 4.853 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(Cc2cc(F)ccc2Oc2cncc(Cl)c2)CC1 1207183544 BKVLZGZTYGHWOH-UHFFFAOYSA-N 440.881 4.999 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccnn2Cc2ccc(Cl)s2)cc(OC)c1OC 1209923990 ZADKHOHNAFELDF-UHFFFAOYSA-N 446.960 4.714 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)CC1 1221800827 ZMBWQPDOWDVAJY-OAQYLSRUSA-N 442.604 4.601 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 1221992665 CODOUJFUAXREOP-QFIPXVFZSA-N 449.551 4.922 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1227880491 KMQPYTKCPSCWBH-UHFFFAOYSA-N 437.540 4.502 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cc(C(F)(F)F)nn1C)c1ccc(C(F)(F)F)cc1 1230694344 SPTOGIICQCKXFK-HNNXBMFYSA-N 434.384 4.964 30 10 IJEE C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCCc2ccc(C#N)cc2)[C@@H]1C 1252977380 IDADPZQDBQLPDW-DNVFCKCGSA-N 433.552 4.866 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1255301524 YXRMCMJWEDGXNQ-TZIWHRDSSA-N 431.577 4.599 30 10 IJEE CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)cc1F 1266205309 CXINAZIYAFKQBT-VLIAUNLRSA-N 431.870 4.500 30 10 IJEE COC[C@@]1(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)OCCc2ccccc21 1274586640 AJWPHUZIDAFKBV-HHHXNRCGSA-N 442.515 4.503 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCc1sccc1C 1286458212 MRZGEYUTEWAMMB-FQEVSTJZSA-N 438.572 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](c1cccnc1)C(C)C 1286527274 GSRXSAFCQJNLJX-RPLLCQBOSA-N 443.595 4.992 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@H](COCc3ccccc3)C2)nnc1C(C)(C)C 1286565106 JBQKCQMRPNLODL-VABKMULXSA-N 438.616 4.600 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CCOC)CCC2)CC1 1286654712 JALICTHWQGNLGN-UHFFFAOYSA-N 448.409 4.645 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)c2ncc(C)s2)CC1 1286662734 WPAHGWJIGZDAMM-CQSZACIVSA-N 428.631 4.605 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286664448 WXIBFCRYLBOKLX-GOSISDBHSA-N 433.641 4.772 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C(C)C)N2CCCC2)CC1 1286665802 PGTMMYSLTAUPLS-XPWALMASSA-N 443.680 4.720 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1286671672 WVOBYMMRJWQGJB-FQEVSTJZSA-N 425.533 4.593 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CSCCS1)C1CC1 1286731830 GBWNFFINVRITDE-NVXWUHKLSA-N 434.606 4.561 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@@H](C)C1 1286742464 ZSPLLGTXIJNNMM-OFNKIYASSA-N 426.568 4.764 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 1297651473 WRUWLGUFBBPOKY-ROUUACIJSA-N 445.387 4.783 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1300349216 RCKXRIZMZOCMOG-OAQYLSRUSA-N 426.467 4.506 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1300889160 PCBDBPZJIALJSG-YZIUBNRHSA-N 447.048 4.834 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1301095439 HQKDQQVJHMDIGE-WMZHIEFXSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1301097357 VFPYNBSSUQAQHO-HTAPYJJXSA-N 433.021 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@H]2CCSC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301158721 NQRAUXMEUNDERP-KSZLIROESA-N 449.665 4.593 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)C1CCCC1 1301185616 IIHBUSOVCJNIOR-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCCCn1c(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1301235287 YYRKSZNEAWLRLH-IEBWSBKVSA-N 434.506 4.870 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC(C)(C)COCC)C1CC1 1301320501 GIEHMOBKFBMVCU-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@@](C)(CC)O1 1301340583 JHOMPOZHPWJVJX-ATIYNZHBSA-N 444.583 4.696 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC[C@@H](F)C1 1301405728 JOSACVNDMXVCTM-FUHWJXTLSA-N 429.927 4.960 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(Cc1ccco1)Cc1ccco1 1301429052 VBIDIFSSDPULKV-UHFFFAOYSA-N 431.496 4.726 30 10 IJEE C=CCn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301472840 SOKZEVSKKUEQHX-IYBDPMFKSA-N 449.958 4.664 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC#N)CC1CC1 1302485515 DXDAUHYINRQURG-NRFANRHFSA-N 436.387 4.789 30 10 IJEE C=CCC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1306083574 KYIBEYPPGDXNSX-LJQANCHMSA-N 428.573 4.998 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCC3(c4ccccc4Cl)CCOCC3)c2c1 1306957618 DEXDBJNXDGACAT-UHFFFAOYSA-N 437.927 4.937 30 10 IJEE C=CCn1c(SC[C@@H]2CC[C@@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307237458 ADQOWPAFASXNSJ-XUJVJEKNSA-N 444.544 4.971 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC[C@](C#N)(c3ccccn3)C2)cs1 1307991281 XOVSNXFWHORVOF-XMMPIXPASA-N 431.565 4.589 30 10 IJEE C#CCNC(=O)C1CCN(Cc2ccc(Cl)cc2Oc2ccc(F)c(Cl)c2)CC1 1308716810 YBYYNXAUMTTZBT-UHFFFAOYSA-N 435.326 4.886 30 10 IJEE CCN(CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)OC(C)(C)C 1311899513 HYYVENCXZGADEG-SFHVURJKSA-N 436.556 4.842 30 10 IJEE C=CCN(C(=O)c1nc2ncc(C)cn2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1352249535 ZXWMQQBSENCRQX-UHFFFAOYSA-N 445.335 4.696 30 10 IJEE N#Cc1ccc(-n2nccc2NC(=O)Cc2csc3ccc(Br)cc23)cc1 1353623543 HYJXPJCQJBZQFJ-UHFFFAOYSA-N 437.322 4.902 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)s1 1354517258 CZCZYXFRPQLEQD-KRWDZBQOSA-N 434.030 4.850 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1Br 1356353681 VEVSJQBYUZZVNS-UHFFFAOYSA-N 434.131 4.912 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1 1357631817 QYRLVHQYEKVSSC-UHFFFAOYSA-N 438.434 4.741 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1N1CCCC1 1358915192 VKYHKFXSEZOJEY-UHFFFAOYSA-N 448.640 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359110478 OBQXOEXBZBIVCE-UHFFFAOYSA-N 445.546 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(CCc2cccs2)CC1 1359185618 CXQDTJOVOCFAHG-UHFFFAOYSA-N 435.641 4.974 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1cn2ccc(C)cc2n1 1359254851 GAVZPGSVGZVIMZ-UHFFFAOYSA-N 439.567 4.644 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)N(C)C 1359275934 LOVLWZXMWLFOHC-IBGZPJMESA-N 427.618 4.768 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2SC)C1 1359324970 VNIBRJKUIRYPEL-NRFANRHFSA-N 426.630 4.871 30 10 IJEE Cc1ccsc1CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC#N 1360917649 BECJLZROORAWHA-QGZVFWFLSA-N 431.569 4.686 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(C#N)cn1CC 1436858603 DOCHVRJFLDRECU-UHFFFAOYSA-N 446.438 4.612 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)s1 1459809986 MYTOMCDKLSRHFV-HKUYNNGSSA-N 448.057 4.982 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)c1ccc(Cl)cc1F 1460801017 JEEHMELVDCYZBY-SFHVURJKSA-N 435.808 4.847 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(I)cc1Cl 1464359137 MDYNPVGNNUVGPA-UHFFFAOYSA-N 441.696 4.782 30 10 IJEE C#CCN(C(=O)c1cccc2cccc(O)c12)[C@H]1CCOc2ccc(Br)cc21 1465180141 XNGPYZTVHMRNAE-IBGZPJMESA-N 436.305 4.907 30 10 IJEE CCCc1c(NC(=O)NC[C@H](C)COc2ccccc2OC)cnn1-c1cccc(C#N)c1 1466215427 AZSZZTJUCSYXNP-SFHVURJKSA-N 447.539 4.542 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)cc1OC 1472269519 PSBDYNCITBTKAH-PKHIPVCBSA-N 444.572 4.569 30 10 IJEE C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nc2ccccc21 1472916396 FBXVPQIFARKMFT-UHFFFAOYSA-N 429.567 4.808 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1507559673 WNLKUVCJYAFRAO-YADHBBJMSA-N 435.616 4.578 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1507565527 CJLPRBQMDCLZEJ-UHFFFAOYSA-N 441.579 4.760 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1C[C@@H](C)O[C@H](C)C1 1507700350 QUUUPJABTVGZJZ-RTBURBONSA-N 436.531 4.829 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(C)s1 1507794131 GNTBTJPVCRCXJS-XMSQKQJNSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 1507808723 ZFRRRAWQDZSUJQ-LSWJPFSZSA-N 444.620 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1507815291 AYXWLAQUACPNAJ-PMACEKPBSA-N 433.547 4.503 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=C)Br)CC1 1507895956 FYHURZTXESVWQT-OAHLLOKOSA-N 435.341 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)c2ccsc2)CC1 1507899498 JSMUFLWWXHEJGD-JOCHJYFZSA-N 428.989 4.970 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(C)C)C1 1507959557 QSHOPXUGUTWSAP-QUCCMNQESA-N 444.645 4.585 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1nc(C2CC2)cs1 1507974813 KEELMARUHWRGMV-UHFFFAOYSA-N 436.404 4.774 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N)OC 1512747222 BVRWAAGLFAPJCA-NTDBWNAOSA-N 429.634 4.931 30 10 IJEE CCCC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1514364676 GMYYERHLVGPMDC-HXUWFJFHSA-N 437.588 4.598 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 1521711236 HDVZZVPHVQZNLF-OALUTQOASA-N 439.515 4.755 30 10 IJEE C=CCC(CC=C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 1524276437 FNGVNBXDHAOPMJ-SILNSSARSA-N 426.582 4.905 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H](CC)c2ccc(OC)cc2)nnc1-c1ccco1 1527499196 HITRLZWWUKYEHJ-GOSISDBHSA-N 427.526 4.909 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1OC 1534017717 IPNUGAVSSIXXAM-UITAMQMPSA-N 426.419 4.523 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 1535722472 UVBMFGDGMNHPAT-XMMPIXPASA-N 426.560 4.996 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(I)cc(C)c1C)c1ccccc1 1537452771 JGXNRZAYHLEPNR-QHCPKHFHSA-N 439.318 4.761 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H]1C[C@H](F)C1 1539333359 BBAYFBDBMDQUTP-HZCBDIJESA-N 436.575 4.890 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)CC[C@@H]1C 1539580202 HURAKZIEWWDDMD-ZBFHGGJFSA-N 441.377 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1539615095 FQPZUUPYXNZLEK-NQIIRXRSSA-N 430.618 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](c3nc(CC)cs3)C2)nnc1C(C)(C)C 1539639804 BJSJWZDVXQUURO-NSHGMRRFSA-N 443.661 4.960 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1539743741 QECCCJROFUUBOB-WOJBJXKFSA-N 445.007 4.834 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(OC)cc2)cc1 1540068643 VBCNYFBJCSCDRC-UHFFFAOYSA-N 436.537 4.616 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCCC1(C)C 1540155464 XAPJIVOSMZBHHV-HOYKHHGWSA-N 428.552 4.677 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(OC)CCCCC1 1540191237 ICNNHKPLFQZWKG-UHFFFAOYSA-N 449.599 4.790 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OCCC)CC1 1540855234 IKGLLFCSAGZBCQ-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C[C@H](Cn1c(N2CCC(CC#N)CC2)nnc1C(C)(C)C)c1nc(-c2ccccc2)no1 1541867416 CHWBQYWAHQYISR-QGZVFWFLSA-N 433.560 4.559 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCOC1 1542128433 AGIKOEKKLXYNGE-QRVBRYPASA-N 445.995 4.853 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)CC2)n1 1542849329 FCEFQQBDBOJFMW-KRWDZBQOSA-N 436.585 4.534 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1 1543619767 HSZJSSZCXZGNCU-OAQYLSRUSA-N 444.579 4.831 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1555848067 CNQUVWPJJLVSGV-PBHICJAKSA-N 437.560 4.920 30 10 IJEE C=C(C)[C@@H](Nc1nc(SC)ncc1I)c1ccc(F)c(F)c1 1559169289 KYEDEVAACOCEQH-CYBMUJFWSA-N 433.265 4.811 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(NC(=O)CCN2CCCCC2)cc1 1560383283 VLVVUNYAZCHLOP-UHFFFAOYSA-N 425.960 4.779 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCCc2cc(Br)ccc2SC)cc1 1561975975 XUWGJZNZWKMSGT-UHFFFAOYSA-N 440.428 4.811 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1 1562640348 KHVRIQJHNNGIJW-UHFFFAOYSA-N 432.476 4.830 30 10 IJEE CC(C)c1ccc([C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(C)C)cc1 1563611788 FWNFGMFOWIEZGK-RPWUZVMVSA-N 432.568 4.874 30 10 IJEE C=CCC1(NC(=O)NCCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)CCCC1 1564063132 LLMFXIPXPYIHHO-UHFFFAOYSA-N 437.540 4.514 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)c1ccccc1 1564397089 XFYIRSAVABZVNL-PZJWPPBQSA-N 447.501 4.617 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc3c(s2)CC(C)(C)CC3)nnc1-c1ccco1 1585281002 WIFPWOLZFOEBLB-UHFFFAOYSA-N 443.598 4.816 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(C)s1 1587598572 CGUMEMTUPGNGRW-CYBMUJFWSA-N 445.386 4.592 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](COC)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1587764415 DCLHVRNCGWPBDV-MBSDFSHPSA-N 436.980 4.532 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1588020547 RATJMDYQCWSDOS-DENIHFKCSA-N 426.630 4.790 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC2(CCCCC2)O1 1588458522 GCDQZWNYMMSGOS-NJDAHSKKSA-N 428.621 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1589223616 PUEPLIRNKOLSSO-ROSOWXQZSA-N 438.591 4.841 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1589449660 MAFQZUSMKLBUOT-UHFFFAOYSA-N 441.757 4.730 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1593763993 TWRFHQAQPDDEGO-BGYRXZFFSA-N 432.559 4.774 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1594247905 SPLYZXJTIWMQTR-KRWDZBQOSA-N 426.561 4.939 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1594582875 VWAKYURRDSJXAF-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1594720965 YTJDUJXAAGPDRB-LJQANCHMSA-N 434.588 4.514 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1595085496 WNVCUKJIXOBOJO-NRFANRHFSA-N 437.632 4.552 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CCc2cccs2)cc1 1595607906 LDBJJRLHZYHDLK-UHFFFAOYSA-N 433.581 4.637 30 10 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C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@H]2CC)CC1 1748983309 NPFFNVVYBDOLMN-MSOLQXFVSA-N 446.426 4.833 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCc1sc(C)nc1C 1749073271 JMMVSWIOAFBCTN-RUZDIDTESA-N 449.624 4.782 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cn(CCCCC)nc2C)CC1 1749293882 IAKFNXXSEBPRJU-UHFFFAOYSA-N 434.588 4.854 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](OC)C(C)(C)C)CC1 1749323344 DYBCTICXNLHODB-NRFANRHFSA-N 439.604 4.611 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2OCC[C@H]2C)CC1 1749331233 GCIMAPOOCVKCFW-OXQOHEQNSA-N 445.405 4.843 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccco2)C1 1749390181 BRVKAWBXVXDLNJ-OAHLLOKOSA-N 430.350 4.979 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1749391501 PZESNITYJWDGBK-AREMUKBSSA-N 437.632 4.629 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1749434373 QBYWZWPVERMRFR-HXUWFJFHSA-N 435.597 4.886 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@H](C)CN1CCCCC1 1749547677 VZWHOUKBNMBERT-FQEVSTJZSA-N 425.596 4.999 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC1(C)C 1749548831 LDJHLLJCPUESSH-MBSDFSHPSA-N 430.618 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)c1ccsc1 1749560819 BFAMDHMFRIXMKF-VWLOTQADSA-N 445.592 4.949 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1749751088 KONFLEZJRPHYGD-HXUWFJFHSA-N 442.677 4.673 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1750686844 CTGBPGXWSMBYIW-ICSRJNTNSA-N 447.505 4.657 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1760102652 NYIWMNBKEDBDJQ-QZWWFDLISA-N 443.389 4.610 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)s1 1760136235 RXZFLMWYQPKYMB-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1760220299 YXXFKWWURLZHLL-FQEVSTJZSA-N 434.481 4.951 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@H]1C 1760244182 ZTZMVGHHRJGUOO-UEVCKROQSA-N 440.563 4.504 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760321369 FWERPNQUWVEZQC-KBXCAEBGSA-N 443.539 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)N[C@@H](C)CC)CC1 1760384946 KASPEHVNONOCPX-HNNXBMFYSA-N 436.387 4.713 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760398613 FEGGZHHEADWLJO-ZHRRBRCNSA-N 447.421 4.907 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1760416309 ABAIDSHAOJXMNJ-HXUWFJFHSA-N 425.533 4.809 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1760423488 BLISPDLCAMYHSS-UHFFFAOYSA-N 439.995 4.950 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C 1760482620 KLCFJOSGBZHTBD-OZXSUGGESA-N 445.611 4.908 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC(C)(C)c1ccccn1 1760483009 ZUCPGDBIMPBUOE-UHFFFAOYSA-N 438.579 4.829 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCC[C@H](C)C1 1760497077 QQAPTWLQFARAQH-VXKWHMMOSA-N 432.616 4.580 30 10 IJEE CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1765139691 GZGUYMCIVBTXDM-INIZCTEOSA-N 446.502 4.914 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1cnc2c(c1)c(C)nn2-c1cccc(Cl)c1 1859559454 RZDDJMYWAZBAEN-UHFFFAOYSA-N 448.910 4.965 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 1861378527 LJHSOIBEUYYFAW-HXUWFJFHSA-N 438.616 4.736 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862396266 GLMTWPMPJZGFBW-JOCHJYFZSA-N 435.520 4.804 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1 1862403481 WZJQBOPJTGNHHU-OAQYLSRUSA-N 443.927 4.662 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)c1 1862432099 WNOSAUMZRGEYJU-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(F)c2)cc1 1862473703 FQPDFZCUDQTGGM-QHCPKHFHSA-N 431.463 4.791 30 10 IJEE 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30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2ccccc2Cl)C1=O 1863450883 SGGQLKUTBFGOCK-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(CCCCN(CC)CC)C1=O 1863803456 HLQGISOFSSPTHO-UHFFFAOYSA-N 433.662 4.900 30 10 IJEE CCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867349871 FFJQUFMMSKQLRU-LOSJGSFVSA-N 425.532 4.942 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2Cl)cc1 1867404376 GSANDHSRJUCFTH-GOTSBHOMSA-N 449.913 4.510 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2cccc(C)c2C)cc1OCC 1870153530 YETOOQBUZIGOMH-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871387235 LAKWFDWORFJCTQ-OYKKKHCWSA-N 429.472 4.987 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)Nc1ccc(C#N)cc1 1871435767 BCJZTXJUZPALHX-WQKDKYNYSA-N 428.419 4.720 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871438513 CIZHBNLFFITWPO-FMCGGJTJSA-N 427.456 4.831 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1)S(=O)(=O)CC 1872358958 CFUJRVMQXXLFEU-IBGZPJMESA-N 440.487 4.613 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872488598 IWYFHJJLWJWPEE-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE CC[C@H](C)[C@H](C(=O)[C@H](C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872774385 PFNBLSQODNVGOG-IYJAJMOOSA-N 449.557 4.759 30 10 IJEE C=CCNC(=O)c1cc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc2n1CC 1873569506 TXJZQEPJVCZXQN-UHFFFAOYSA-N 425.536 4.574 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCC3)ncnc2n1CCOC 1873591289 DYOIJHZLVVIHGB-UHFFFAOYSA-N 429.609 4.548 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2ccccc2F)cc1OC 1874199945 CGYXRWMWXFILKM-BUVRLJJBSA-N 428.533 4.604 30 10 IJEE CCOc1ccc(/C=N/n2c(CCCOc3ccc(C)cc3)nnc2SC)cc1OC 1874250457 FMZTZSRQWXETRG-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874299934 AAGLJRDWJBVVQT-LPYMAVHISA-N 425.514 4.766 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccs1 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COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccco2)cc1 1874634446 BWUCLQDBUWFHFW-JXMROGBWSA-N 439.895 4.841 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cnccn1 1874695299 UGGDAFBNYIFHKH-QHHAFSJGSA-N 429.259 4.907 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(CCc3ccc(C)c(C)c3)nnc2s1 1874764223 YLGXHEOUANYDEK-UHFFFAOYSA-N 427.618 4.955 30 10 IJEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875117142 AHEYWBMGEWCDGH-YCRREMRBSA-N 438.417 4.609 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccc(OC)cc3)cc2)cc1 1875129758 RQIQEQWIUWRHQN-UBKPWBPPSA-N 432.472 4.974 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)c(OC)c1 1875178537 OWIYVLCZHHMFPT-YCRREMRBSA-N 431.282 4.678 30 10 IJEE C=CCn1c(C(=O)N2CCOCC2)cc2c(NCCCCCCCCCC)ncnc21 1875228949 KNJAVFZZFDVHRY-UHFFFAOYSA-N 427.593 4.642 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 1899555410 IAAPNUOCXDZZEV-SFTDATJTSA-N 438.549 4.644 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C[C@H](C)C#N)C1CC1 1984693560 DHKZMMJHLXCJRD-IQGLISFBSA-N 445.563 4.700 30 10 IJEE CN[C@H](CC#CC1CCCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2032521606 ZZEDVOVOPHRMRC-SHQCIBLASA-N 439.644 4.718 30 10 IJEE C#CCN(C[C@@H](NCC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2035956315 RPKLLHUGFXZQJJ-CQSZACIVSA-N 433.749 4.763 30 10 IJEE CC[C@H](c1ccc(C)cc1C)n1nc(C(F)F)c(/C=N/O)c1I 2079101485 UKOYOHSZJYFBPK-GNZXAGPDSA-N 433.240 4.850 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)c(F)c1F 2079943473 CBIOZBIOLPNVPY-SNVBAGLBSA-N 447.267 4.789 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)c(C#N)c2)C(F)(F)CC1 2092400445 HCOCQVKYZHACQA-HNNXBMFYSA-N 430.293 4.767 30 10 IJEE C=CCC1(C(=O)NCc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2124500131 VVEDRLBSYRNVKB-UHFFFAOYSA-N 443.769 4.532 30 10 IJEE CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1C#N 2174811575 ZLACHTRRJPQKDT-QGZVFWFLSA-N 437.382 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(c2cccc(Br)c2C#N)C1 2174815332 RYMDFWVLQJIEDP-YJBOKZPZSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)CC1 2181107998 NVBIIRYDFZBZOT-UKRRQHHQSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181137451 PCSPYYPAHXFELH-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3cc(Br)cc(F)c3C#N)C[C@@H]2C1 2206330227 NYSKSZMTAMMKPA-VNHYZAJKSA-N 438.341 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H](CN(c3cc(Br)cc(F)c3C#N)C1)C2 2207035093 NOROXXICPOKPCA-ZUOKHONESA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccccc1Nc1cc(Br)cnc1C#N 2207181020 HOZNINUCCJLACA-UHFFFAOYSA-N 431.334 4.917 30 10 IJEE Cc1cc(C#CCCO)c(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)s1 2221819455 CGHUGYJKJABIEW-UHFFFAOYSA-N 446.616 4.565 30 10 IJEE Cc1cc(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)ccc1NC(=O)OC(C)(C)C 2266001408 CYVZMPLTJDOSKB-UHFFFAOYSA-N 444.312 4.968 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](NN)c1ccc(I)c(Br)c1 2284075376 FDUQVLSWYKSYNE-OAHLLOKOSA-N 447.158 4.554 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3cc(Br)c(F)cc3Cl)CC2)OC1(C)C 2285913888 WWWJSTBHVXRBFD-UHFFFAOYSA-N 446.553 4.940 30 10 IJEE O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 2294377333 STAQIVISCRLDLB-HSZRJFAPSA-N 442.298 4.993 30 10 IJEE CCc1ccc([C@H]2C(=C(O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 2296135789 AVQZMMAASMFSJC-DEOSSOPVSA-N 442.515 4.583 30 10 IJEE CCC[C@@]1([C@@H](C#Cc2cccc(Br)c2)NC)CCN(C(=O)OC(C)(C)C)C1 2296288672 JOOCAWNKRGOAME-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)C1CCCC1 2296294961 ZEJMZALHDSLVAB-IBGZPJMESA-N 435.406 4.958 30 10 IJEE C[C@H](C[C@@H](N)C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296304619 JBSSVWOUFPIZEY-POAQFYNOSA-N 435.406 4.801 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)ccc3C2=O)cc1OC 2296866158 ZHCUFQRFXHMZGF-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2311768371 LOHXXUUQQVEZJN-VUMQFKOGSA-N 446.632 4.572 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1cc(Br)c(N2CCCC2)o1 2313562355 OWSAURHMMCZHGP-UHFFFAOYSA-N 436.306 4.673 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C(=O)C=Cc3cccc([N+](=O)[O-])c3)cc2)cc1OC 2314429671 LVNLUTZZYDDUKO-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOc1cc(C=NNc2cnn(C)c(=O)c2Cl)ccc1OCc1cccc(Cl)c1 2323222826 VVSFTHMAWFHCCX-UHFFFAOYSA-N 447.322 4.511 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 2323702331 OPQZDUCYTKMBPF-UHFFFAOYSA-N 432.432 4.517 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])o1 2323721298 HQYNYAVEQJDGKJ-UHFFFAOYSA-N 443.358 4.728 30 10 IJEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c(OC)c1 2324628332 ZBGXCOCPLMVGCO-KRWDZBQOSA-N 438.480 4.865 30 10 IJEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1cnccn1 2325763796 IRLYPBSAFIBAGG-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(Cl)cc1 2326204362 PQAQQEQFILDZPI-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(C)c1 2330221502 NULRMJXQIUGZNE-UHFFFAOYSA-N 427.618 4.552 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 2330954913 METMNPHNMQNNMU-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C(C)(C)C)cc1 2331645687 DYUQZJIZWUESJK-UHFFFAOYSA-N 442.614 4.598 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2331664960 RGPBNWRIHHEOQM-INIZCTEOSA-N 441.988 4.736 30 10 IJEE CCc1csc(C#C[C@@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)n1 2338652304 ZNTYQTALZLVUGQ-MRXNPFEDSA-N 437.359 4.900 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2c(F)cccc2Br)OC1(C)C 2339447001 VUPZVBDTMVQXNB-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339580893 GXUMTRXLFPVCDR-QYZOEREBSA-N 441.381 4.536 30 10 IJEE CCC1(NC(=O)OC(C)(C)C)CC(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339590802 RXMKNMYADQFAOU-UHFFFAOYSA-N 444.381 4.941 30 10 IJEE CCN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339596346 INLQQYWQEIMNHZ-XUDAUXSOSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@@H](N)C#Cc3cccc(Br)c3)CCC[C@H]21 2360194132 IKYLAZYELWNESY-LWYYNNOASA-N 433.390 4.554 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CCN(Cc3ccccc3)CC23CCC3)n1 2362152616 GEZJKJYAGMBZMP-QHCPKHFHSA-N 447.432 4.546 30 10 IJEE C=CCCC1([C@H](N)c2cc(Br)cc(COC)c2)CN(C(=O)OC(C)(C)C)C1 2362293551 FSBJERMQYUJTED-GOSISDBHSA-N 439.394 4.799 30 10 IJEE C=CCN1C(=O)COc2ccc(NC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)cc21 12081657 YETSEQYWDYNILM-XNTDXEJSSA-N 440.499 4.829 30 10 IJEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C2CCCCC2)[C@@H]1N1CCSCC1 15861727 FLAGTMGGFZGMQU-MEQARESCSA-N 426.655 4.880 30 10 IJEE Cc1ccc(-c2nn(CCC(=O)O)cc2/C=C/C(=O)c2ccc(Br)cc2)cc1 33448708 ODPJFPAJUAAVPL-DHZHZOJOSA-N 439.309 4.992 30 10 IJEE C=CCc1ccc(OCCCn2c(CCCN3CCOCC3)nc3ccccc32)c(OC)c1 39917585 WMOMBOPZGHJKSJ-UHFFFAOYSA-N 449.595 4.507 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1 59014566 HLHCAFJMLYXHCU-LSFURLLWSA-N 449.367 4.905 30 10 IJEE CN(c1nc2ccccc2n1Cc1ccccc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95074416 TWDJLFZQJGBQKO-OAQYLSRUSA-N 445.567 4.792 30 10 IJEE O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1 100037826 JAZWJQBBRVVVCQ-OEAKJJBVSA-N 441.896 4.750 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)CCOc3ccccc3F)c2)c1 107702331 YSMCEAPUMXYFKN-UHFFFAOYSA-N 446.478 4.555 30 10 IJEE COc1ccc(OC)c(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)c1 137158075 UJPLFUBJEDURRI-NHDPSOOVSA-N 447.358 4.541 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccnc2)cc1 170012075 YMWFKRVCDRMTCT-HSZRJFAPSA-N 430.479 4.604 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccncc1 170022408 UUQHZSWHMTYNSW-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1)c1cc2ccccc2o1 170050010 GXCYPVUJSNSYAO-HSZRJFAPSA-N 439.423 4.944 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 170060446 SHOKFDBMOMHGOP-HSZRJFAPSA-N 440.971 4.579 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2F)ccc1F 170072839 XHAZGZFERGSZCI-NRFANRHFSA-N 445.425 4.932 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(OC)cc1 170115980 MHCPQTMBLQZJRE-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(C)c2)cc1C 170139928 MWNPCBFSWCUPBD-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccc(OC(C)C)c1 170153244 SHCURLLHUWWREX-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)cc1 170184908 PXVRMAAAXCLDRD-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)cc1C 170224745 PICGWCGFNFOZBT-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 170240200 JYVMOMOXVREZKC-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2C)c1 170271481 RJYYJRCZVLHUAI-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1ccco1 170274222 ZHCNPOWAUXSUJL-HJPURHCSSA-N 429.472 4.690 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2C)ccc1Cl 170275667 JLAIXYWRLWLURC-NRFANRHFSA-N 443.927 4.662 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1O 170314702 NDVFKLNXAZIYID-OAQYLSRUSA-N 447.512 4.870 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170347058 CZZZTHWGBDKXOA-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=S)Nc3cccc(C)c3)cc2)cc1 254668963 JIMAFAKXOYJEFK-UHFFFAOYSA-N 433.533 4.933 30 10 IJEE COc1ccc(C#N)cc1CNc1ccc(Br)c(I)c1 312299419 TYZWIQXYQGLUCA-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE CC(C)(C)[C@H]1CSC(=Nc2cc(Br)ccc2I)N1 393987558 CPRSNCPZDZPPRI-LLVKDONJSA-N 439.160 4.792 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(OC)c(Br)c1)NCCC 406749796 GERXCQFNBKNYKH-QZTJIDSGSA-N 441.410 4.838 30 10 IJEE Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)oc2ccccc12 426542659 FQTDVTXUFSUAMW-UHFFFAOYSA-N 425.444 4.660 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C 440737909 OVLYFAGFTAFDET-AHWVRZQESA-N 429.564 4.824 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](CC(C)C)c2ccccc2OCC(C)C)cc1C#N 470758902 ZCCBPQVRQHVFNS-IBGZPJMESA-N 427.570 4.933 30 10 IJEE Cc1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)nn1-c1ccc(Cl)cc1Cl 484177175 UIJODLRNRSRFDE-UHFFFAOYSA-N 426.307 4.885 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C 489639222 FDXIEXOOACAKOK-DENIHFKCSA-N 442.629 4.869 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1c[nH]c2cccc(Br)c12 513854457 PGWLUNKLZCSLHW-UHFFFAOYSA-N 428.286 4.596 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccn2)cc1OCC 526606063 CGRJHGKAZPGVAV-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2cccc(C(F)(F)F)c2)c1 526825644 AXNRNHNZFSDLQQ-MYKKPKGFSA-N 434.443 4.566 30 10 IJEE N#CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc(I)cc2)cc1 536078925 ZXUIZQPBQNDVES-SFHVURJKSA-N 431.277 4.726 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 555264931 ZDSHHUGNJAMTPG-MSOLQXFVSA-N 431.378 4.537 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](OCC(F)(F)F)C1 576770356 OKFPGIKJTULUEY-INIZCTEOSA-N 433.478 4.561 30 10 IJEE C#CCN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586181478 NANBNFLGYPGGDT-UHFFFAOYSA-N 443.609 4.693 30 10 IJEE CSc1cccc(N(CCCC#N)S(=O)(=O)c2ccc(Br)cc2)c1 586207839 LVMHRLSQOMOHJN-UHFFFAOYSA-N 425.373 4.670 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(OCc2ccc(F)cc2)CC1 670234671 HVRJOQHPUYQAPP-UHFFFAOYSA-N 426.561 4.831 30 10 IJEE N#CCCN(C(=O)COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1 764056864 XOPBHAGDBOTEAN-AQTBWJFISA-N 436.817 4.776 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1=S 765035772 CTTGFJOUVPORGR-DENIHFKCSA-N 435.597 4.698 30 10 IJEE COc1ccc([C@H](NCc2ccc(C#N)cc2F)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 774173868 ZRXZGBJNGXQCGP-PKTZIBPZSA-N 439.531 4.936 30 10 IJEE Cc1c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cccc1N(C)C 775987363 ROMCNCPUCGEGPC-UHFFFAOYSA-N 444.560 4.916 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 789719372 OJUBZIJHZFPMOP-MRXNPFEDSA-N 425.460 4.577 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)SC1=Nc1cccc(C(F)(F)F)c1 1084085777 GUMCALFQKSORJJ-HNNXBMFYSA-N 441.862 4.949 30 10 IJEE C=CCc1cc(CNC(=O)c2csc(Cc3cccc(F)c3)n2)cc(OC)c1OC 1125544469 JIXXUHSSWGZEKN-UHFFFAOYSA-N 426.513 4.549 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cc(I)cc(Br)c1C 1127520390 REJJAXOGWBZZMX-SNVBAGLBSA-N 436.131 4.837 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](CCOC)Cc3cccc(Br)c3)cc21 1134572897 YRLKOWARCMLGHO-KRWDZBQOSA-N 442.357 4.819 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](C)c2nc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1137459069 GNJDAFMJGDGJKU-HJPURHCSSA-N 429.586 4.862 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2F)nc1 1156299918 FSZHEJXKZLXBTM-INIZCTEOSA-N 435.883 4.987 30 10 IJEE C=CC1(CC(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1156500322 MPIKVCUYAHDCPD-UHFFFAOYSA-N 427.467 4.523 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1COC(C)(C)C1 1158490487 TXRPLTIKFDRTCH-KOSHJBKYSA-N 448.563 4.544 30 10 IJEE C=CCN(Cc1ccc(OCC(=O)OCC)cc1)Cc1cc(Br)ccc1F 1204172692 YMOAHQVJTFXKJD-UHFFFAOYSA-N 436.321 4.718 30 10 IJEE CCOC(=O)c1c(NC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c(C#N)cn1CC 1219174083 FHJPASVUVNJFPX-UHFFFAOYSA-N 442.947 4.843 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1ccc(I)c(Cl)c1 1235804412 XHTYYHDDXPQHPD-UHFFFAOYSA-N 440.712 4.842 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2cccc(N3CCCC3=O)c2)cc1 1264691748 DHWYIMYSHFXUAR-UHFFFAOYSA-N 441.506 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCc1cccc(C)n1 1286281753 KXPXAYMZQSPZOJ-QGZVFWFLSA-N 438.373 4.502 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC[C@@H](C2CCC2)C1 1286318119 RXYNLPALDDLYCQ-IBGZPJMESA-N 442.991 4.664 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1nc(C(F)(F)F)cs1 1286441308 LNZGNYRJUMCNNW-UHFFFAOYSA-N 425.867 4.582 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(C(F)(F)F)CC1 1286535047 LKJPQVXZULINTG-UHFFFAOYSA-N 448.674 4.601 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)CCC 1286536903 SYLPPSISWGPDPW-INIZCTEOSA-N 443.393 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cnn(CC(C)C)c1C 1286581381 PDSCMVQELCHROA-UHFFFAOYSA-N 442.558 4.759 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)CC1 1286666867 GKMSOXUIVXDDJJ-SFHVURJKSA-N 430.618 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1286668266 QRFJWYFVDALKKM-UHFFFAOYSA-N 439.995 4.709 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@H](C)C1 1286682321 KILHPTDFLIFAFR-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 1286712415 YKIZNBQQHWUEEC-VWNXMTODSA-N 437.632 4.518 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1286744276 CQWLXBQOCJSGJD-NPPFBWRTSA-N 428.552 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1cccs1)N(C)C 1286755036 KMXLEFGEXHURET-JOCHJYFZSA-N 446.624 4.980 30 10 IJEE CCOc1ncccc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1296894389 HJTPCWALPDAFTK-ICSRJNTNSA-N 448.571 4.615 30 10 IJEE C=CCC1(CNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(S)nc3c2)CCCC1 1297804066 NMPCJKJFDZEARB-UHFFFAOYSA-N 447.604 4.794 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@H](C)C1 1300742256 BYVWUCFFJTWGKI-MRXNPFEDSA-N 432.684 4.584 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)C(C)C 1300789442 MGCVRCLXDPOOGM-DENIHFKCSA-N 445.405 4.679 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H](C)Cc1cccs1 1300816977 ZMFCQZUAPXFZAL-HOYKHHGWSA-N 438.572 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)Oc1ccccc1F 1300918841 KLACCSXSZBISSJ-IBGZPJMESA-N 448.546 4.526 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1301119086 VJOIIMBJIMORPX-DEOSSOPVSA-N 437.975 4.612 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCOCC2(CCC2)C1 1301210973 APITVWXFMGGJEZ-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1)C1CC1 1301330912 ZHMLRXMJRWHAKU-QFIPXVFZSA-N 428.989 4.646 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=C)C 1301358049 WDBVUPQXSOEINB-UHFFFAOYSA-N 441.988 4.692 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCc2nccn2C1 1301379496 MTJUHPNTIMRABJ-MRXNPFEDSA-N 443.382 4.889 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1=CCCOC1 1301397402 URVUJHMIYGUBPM-UHFFFAOYSA-N 435.355 4.689 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1301613585 ZKDDOZDEHVAXPB-OAQYLSRUSA-N 431.694 4.803 30 10 IJEE C=CCCN(OCc1ccccc1)[C@@H](C(=O)OCC)c1nc(Br)sc1C 1307697184 IRUNQTOBXLJWOU-QGZVFWFLSA-N 439.375 4.828 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccccc2C)C2CCC(C)CC2)c1 1309642393 DETMUCXSLOBDKN-SCPLRKQGSA-N 440.609 4.757 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)c1ccccc1 1309991030 JIKVKLSDWHJPDN-XMMPIXPASA-N 447.560 4.788 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)cc1 1310170693 PDFJKUKGBMLHNP-HSZRJFAPSA-N 431.458 4.649 30 10 IJEE C#CCN(C(=O)N[C@@H](C)CSc1ccc(C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1312522402 JJZNBNVDCHVDJP-IBGZPJMESA-N 445.629 4.520 30 10 IJEE CC(C)(CNC(=O)NCc1cc(C#N)ccc1F)c1ccc(Br)cc1Cl 1312767867 BWJGQNXBDIAFSW-UHFFFAOYSA-N 438.728 4.890 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1350122391 ACNNBFGGFYRCCJ-BTYIYWSLSA-N 437.378 4.972 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cc(Br)cs2)s1 1357594281 GMGDEXHBEZWXRN-UHFFFAOYSA-N 437.837 4.979 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CCOC)CCCC1 1359004099 JPMQBUHDZCNLHX-UHFFFAOYSA-N 430.980 4.664 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC2CCCC2)nc1 1359010973 HDPUTSOXNHMDNU-UHFFFAOYSA-N 449.986 4.747 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1359014487 KVKNSWFRYJFKMV-ZWKOTPCHSA-N 433.021 4.889 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1Cc1ccnc(SCC)c1 1359072762 PUWAKTPSIVFEHI-RUZDIDTESA-N 431.609 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN(CC)C(C)C 1359074747 PWLVPUFRFIFOKJ-XMMPIXPASA-N 425.646 4.601 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)COC)CC1 1359169096 UGLVYRPMDNTNAS-HNNXBMFYSA-N 425.360 4.603 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2CC2(N3CCSCC3)CCCCC2)CC1 1359173333 CRWNBAFNROQTSF-FQEVSTJZSA-N 431.694 4.946 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1359195190 IQZCNEWYXMNBCM-CTNGQTDRSA-N 449.565 4.909 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359212117 ALADAYDEYHZXLF-HXUWFJFHSA-N 428.552 4.605 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C)[C@@H](C)CC)C1CC1 1359248726 ZRUNIMFOWNPKGU-KRWDZBQOSA-N 446.437 4.901 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CCc2cccs2)cc1 1359307342 HYMALNLEKZGYPK-JOCHJYFZSA-N 438.597 4.873 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)SC)C1 1359313310 JWVVDBUMQDNLQH-YSIASYRMSA-N 430.618 4.568 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1359343424 SSRAKUOYLZFILI-NRFANRHFSA-N 440.657 4.958 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(F)c(C(F)(F)F)c2)nnc1-c1ccco1 1435926366 UVJSPLNSFONHNA-UHFFFAOYSA-N 441.406 4.970 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1441950587 RCCXJJOUSVZCHD-UHFFFAOYSA-N 436.552 4.817 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cnn(-c3cc(F)c(OC)cc3F)c2CCC)cc1 1448676079 NXASYUAQHBBDQN-UHFFFAOYSA-N 441.478 4.858 30 10 IJEE C#CCN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1455812418 IOWAKVBWENOVEL-VOTSOKGWSA-N 437.367 4.868 30 10 IJEE CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1457570760 HPZZHOCSZWDRLH-QHCPKHFHSA-N 441.579 4.951 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)s1 1464757362 DEAFQBYQPTUAME-MRXNPFEDSA-N 426.966 4.578 30 10 IJEE C=CCOc1cccc(NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1465382835 SDLFJCLCYYVNTF-STQMWFEESA-N 444.322 4.886 30 10 IJEE C=C[C@@H](CC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1465423616 WPHWICOGYLBEEJ-IFXJQAMLSA-N 431.376 4.931 30 10 IJEE N#Cc1cc(NC(=O)NCC2(N3CCSCC3)CCCC2)ccc1Oc1ccccc1 1466273052 GUDYYXUDRYZGBK-UHFFFAOYSA-N 436.581 4.834 30 10 IJEE CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C 1473229665 DWQVEWSTGQPDID-UHFFFAOYSA-N 447.510 4.704 30 10 IJEE Cc1ccc([C@H]2COCCN2C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)o1 1476581244 DFOKQTXUMWKMLH-LJQANCHMSA-N 433.512 4.548 30 10 IJEE CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1477861539 GNNAEOMXBLEREZ-JWQCQUIFSA-N 449.551 4.510 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1495561770 HYLPSLWDZGTLSY-XHNVNVPESA-N 439.604 4.818 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@@H](F)C2)cc1 1502850761 GPIQLGAZIDZVLZ-NCXUSEDFSA-N 429.540 4.551 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1507567068 KIMPOWZDGJGZDL-PGRDOPGGSA-N 438.572 4.839 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H]1CCO[C@H](C)C1 1507655001 XLMWKVTZKNVGOH-PKTZIBPZSA-N 448.611 4.567 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1507747038 AIOITHLFVLHVLX-UHFFFAOYSA-N 436.581 4.569 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cccs1 1507847860 MDGJUBDDYWNWIQ-HXUWFJFHSA-N 442.560 4.992 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1507902281 DCGGHDSAHBGDCK-UHFFFAOYSA-N 434.510 4.864 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1507903674 FDQHUMUQGGEYRT-LAUBAEHRSA-N 429.634 4.632 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](COCC)C1 1507911839 BKKLQKXAHMARIH-FQEVSTJZSA-N 434.588 4.596 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)C1CCN(CCC)CC1)c1ccccc1 1507924378 MLJQHXTUEFQMQB-QHCPKHFHSA-N 446.643 4.954 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 1507925018 XGCZIKJCCORNMM-YMPZKCBVSA-N 448.615 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1 1508003448 ZMUNXJUHSXAEQM-JOCHJYFZSA-N 436.629 4.618 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1cccc(OC)c1 1508027139 LUPQZNWIPXNLRD-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccccc1OC 1508049735 GPGVIXUNLAGYNU-KRWDZBQOSA-N 442.361 4.582 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1508077074 KECGCYVOTQOCCM-OAQYLSRUSA-N 447.583 4.788 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCC2(CCCCC2)C1 1508165820 ZCSJRDLEFGUOPC-UHFFFAOYSA-N 426.630 4.979 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)s2)s1 1513703830 ASEXBCRCQOMEEF-UHFFFAOYSA-N 434.594 4.890 30 10 IJEE CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 1521285324 FSDPDXZRLKXJNS-AREMUKBSSA-N 439.559 4.874 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1524663153 GOBMZYFGAVUWAV-JTQLQIEISA-N 434.311 4.855 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 1525236006 PFGNUGCTLDWEKU-DEOSSOPVSA-N 434.580 4.612 30 10 IJEE Cc1ncc(Br)cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1526388030 BUWKNWHSJWDMTG-UHFFFAOYSA-N 447.764 4.923 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc([C@@H]2CCOC2)nc1C 1529484991 BRNGXSDTWHYLNE-CYBMUJFWSA-N 439.350 4.685 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(Br)cc2C(=O)OCC)cc(OC)c1OC 1532365768 BNMWRVJGTDJLOJ-UHFFFAOYSA-N 448.313 4.624 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1cc(C(=O)OC)ccc1Sc1ccc(Cl)cn1)OCC 1533413448 IOXHYTRUBVLUNS-KRWDZBQOSA-N 434.945 4.983 30 10 IJEE O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1538377346 DGULQRUOKFICAZ-PIGZYNQJSA-N 448.338 4.617 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(OC)C1CC1 1539147517 AWGRXCCIFHNPOX-SBUREZEXSA-N 430.980 4.573 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cccs1 1539622382 FNLJKYMWJHFNCH-FXAWDEMLSA-N 444.004 4.715 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(OC(C)C)CC1 1539624737 VXFYHETWHVMXCM-ISKFKSNPSA-N 438.616 4.883 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](OC)C2CC2)CC1 1539898513 UURRCLDURRWTJY-HSZRJFAPSA-N 438.616 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(N(C)C(C)=O)CC1 1539909242 IXNYODZMJICOBX-UHFFFAOYSA-N 446.599 4.543 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(Cl)nc1 1540155007 IYRZADLUXASVCC-INIZCTEOSA-N 427.911 4.832 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](OC)C1 1540911438 XVMMQDMIBZBUGH-AEFFLSMTSA-N 432.659 4.666 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C1 1541490852 GSEKBKGCJCFVAC-FCHUYYIVSA-N 437.588 4.560 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)C)nc1 1542078705 BNNWOLJQTNEVOC-UHFFFAOYSA-N 442.523 4.585 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)C1 1543596697 IECVXNZHSYZBRX-LRSLUSHPSA-N 434.632 4.667 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)nn1C 1544634158 UPKGSDZVDPEDCZ-QHCPKHFHSA-N 444.535 4.541 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 1546324833 BCEBHLZIJGBBMH-UHFFFAOYSA-N 429.442 4.534 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)C(=O)OCC 1556642645 SSKXVKBDGQNSKT-FQEVSTJZSA-N 437.927 4.820 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)cc1OC 1557253328 AKYGJIRLJLECLL-UHFFFAOYSA-N 434.580 4.778 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(C)Cc2cccc3ccccc23)c1 1557621363 DCSZEEMNBIRZRI-AREMUKBSSA-N 448.588 4.542 30 10 IJEE CC(C)(C)C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(F)cc1 1561135146 HFUNMOYHNMPLSG-GOSISDBHSA-N 439.350 4.916 30 10 IJEE CN(CC(C)(C)C#N)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1563322183 DBBQFYIKQVRNGP-UHFFFAOYSA-N 429.318 4.715 30 10 IJEE C=CCC1(NC(=O)Nc2ccnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)CCCCC1 1563389452 BXLJQDZKYIUTMA-KRWDZBQOSA-N 429.565 4.949 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nn(CCCCCC)c(=O)c2ccccc12)c1ccccc1 1586028050 WYAXLGCMEBTNSQ-HKBQPEDESA-N 437.565 4.830 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 1587230311 ZDVBNZSKSRIDEF-CVDCTZTESA-N 426.582 4.685 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCOC2(CCCC2)C1 1587793528 PIEBAIGNSJJTFI-UHFFFAOYSA-N 440.613 4.532 30 10 IJEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1587884026 OZNSPVLDSGDOTQ-UHFFFAOYSA-N 439.510 4.548 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1588289090 XEEPVXLRPFAUDZ-LAUBAEHRSA-N 445.007 4.908 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1589007782 QVZNNQONGMELDK-GOSISDBHSA-N 426.630 4.613 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1593631115 SSBLFKTYFYQFQC-HZPDHXFCSA-N 431.378 4.634 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N(CCOC)Cc1ccco1)c1ccccc1 1593781878 AHNRFVSPECXUBV-UHFFFAOYSA-N 449.942 4.953 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cnn(C)c2C)CC1 1594071020 WCUVFUCHEHNYBE-UHFFFAOYSA-N 434.588 4.617 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1594625528 GPOWSXJWWYTHHU-UHFFFAOYSA-N 439.633 4.554 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCC[C@H]1C 1595075448 FPRKWVLFTWUNAR-CLOONOSVSA-N 426.605 4.619 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1595866449 LKKQPWQYBKJEKN-DEOSSOPVSA-N 439.629 4.751 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1nccs1 1596153118 SQDQVRXTNOMFEW-QFIPXVFZSA-N 447.560 4.633 30 10 IJEE CC(C)[C@](C)(O)Cn1c(CC2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1598235724 GVLMWUBKHKTVSJ-AREMUKBSSA-N 433.600 4.583 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)CCCN1C(=O)OC(C)(C)C 1598508026 TZGRKGQUTSDVCD-UUOWRZLLSA-N 430.545 4.565 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CC(F)(F)C2)cc1 1607165117 CHWBDWAXXTWRAW-QFIPXVFZSA-N 447.505 4.857 30 10 IJEE Cc1cccc(NC(=S)N/N=C2\Oc3ccccc3[CH][C@H]2c2ccc([N+](=O)[O-])cc2)c1 1614735123 KPEGSMJEVQZNNM-RCBZZLCRSA-N 431.497 4.932 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Oc3c(Br)ccc4ccccc34)cc2C1=O 1616597176 NYIMGOQVFPKVFE-UHFFFAOYSA-N 436.261 4.604 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCCC1)c1ccsc1 1617631836 BGRJJMYBSYWJPS-JOCHJYFZSA-N 434.613 4.952 30 10 IJEE C=CCOc1c(Cl)cc(CNC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1OC 1620729634 XRNMENGMUVYJON-UHFFFAOYSA-N 436.930 4.946 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2sc3cccc(F)c3c2C)cc(OC)c1OC 1621709404 RJCLMHRBKZLWDT-UHFFFAOYSA-N 435.542 4.573 30 10 IJEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1ccccc1 1623310944 GXACIEZVXAURQF-QFIPXVFZSA-N 438.936 4.635 30 10 IJEE CCCc1c(NC(=O)NCc2ccc(OC3CCCC3)nc2)cnn1-c1cccc(C#N)c1 1623857629 GSBWRHCMNPLSGQ-UHFFFAOYSA-N 444.539 4.735 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 1624346758 FWPFFCDFYUBLFT-HXUWFJFHSA-N 438.528 4.522 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1625801168 PWZULAHQKNFLOX-PKTZIBPZSA-N 431.536 4.755 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 1629718515 CSFJAFFHRHMOPL-FTJBHMTQSA-N 426.516 4.943 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)C(C)(C)C 1638095796 TYKZYMSYSVFSCB-GOSISDBHSA-N 439.364 4.572 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)NC[C@@H](NCc3ccccc3)C(F)(F)F)c2)cc1 1638719084 HEJGPDBDSYKMED-JOCHJYFZSA-N 438.453 4.752 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 1640516386 MYOTZFJTOSKTNC-SFHVURJKSA-N 444.494 4.836 30 10 IJEE C=CCn1c(S[C@H]2CCN(C)C2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1640602574 KLAOINCBCRZEBY-WBVHZDCISA-N 430.643 4.666 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(Cc3ccc(OCc4ccccc4F)cc3)cnc21 1640787217 PYQBHTIMUWRCIX-UHFFFAOYSA-N 439.537 4.941 30 10 IJEE C=CCn1c(SC[C@@H]2CN(c3ccccc3)CCO2)nnc1-c1cccc(Cl)c1 1643810302 PQZGISKRJJQMSH-FQEVSTJZSA-N 426.973 4.782 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c(Cl)c1 1645997790 OPCPBNJKYYZIFZ-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)C(C)(C)C 1648370743 XXOSPHLHGJGFQZ-NRFANRHFSA-N 442.485 4.521 30 10 IJEE COc1ccccc1[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)N1CCCCC1 1650654504 DUSXOQVGJDPQOT-JOCHJYFZSA-N 429.524 4.788 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O 1651005880 OORXAIYEHJYOCD-UHFFFAOYSA-N 434.710 4.814 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1651759548 CKMOYPOVVJAERE-RBUKOAKNSA-N 428.602 4.840 30 10 IJEE COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCCS(=O)(=O)c2ccc(C#N)cc2)c1 1653071059 AOXQFQXMXCNBOF-AREMUKBSSA-N 448.588 4.531 30 10 IJEE COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 1653826547 GEJSTHFKDABGOT-QGZVFWFLSA-N 444.373 4.533 30 10 IJEE C[C@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 1656431026 BCUINWRUVPSHRN-AWEZNQCLSA-N 437.993 4.919 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1OC 1656758678 BUSFLGUQVOGHSJ-WLRLJWMZSA-N 430.589 4.916 30 10 IJEE C=CCCS(=O)(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1657034424 BGSNWJUAFXFSDL-UHFFFAOYSA-N 428.323 4.718 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(C(=O)NC2CCCC2)cc1 1657494104 YEZQQVTWWRFCHA-UHFFFAOYSA-N 427.342 4.746 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@](C)(c1ccc(Br)cc1)C(C)C 1662782699 FXWSNQWVKITNCT-IBGZPJMESA-N 439.350 4.618 30 10 IJEE C#CCN(C(=O)Nc1cccnc1OC(C)C)[C@@H]1CCOc2ccc(Br)cc21 1666041051 LUQCFZYPDAIHLA-GOSISDBHSA-N 444.329 4.622 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 1666383598 HQAFFRDOENAODS-XLIONFOSSA-N 426.586 4.903 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1ccc(F)cc1 1666665512 LOAKKXCWCHKKJE-UHFFFAOYSA-N 425.273 4.504 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 1667652301 ZMQJSQFUEWKKTN-UHFFFAOYSA-N 426.369 4.976 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1nc(Cl)c(C#N)s1 1678315275 AISLTDOKNIIQQU-NSHDSACASA-N 427.361 4.852 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1678803099 HRYPOQQJGWASMJ-KMFMINBZSA-N 430.902 4.767 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1684450292 VCHGJBCHHHBTRM-PDGJWGCVSA-N 427.589 4.951 30 10 IJEE C=CCCC[C@@H](NC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F)c1ccccc1 1684894351 PFERUGFDPXWIMD-WOJBJXKFSA-N 445.485 4.903 30 10 IJEE C=C1CCC(CNC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2nc(C(C)(C)C)cs2)C3)CC1 1685083552 FRKSHQPYYMFPRP-OALUTQOASA-N 431.646 4.797 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1689893001 RRFPADABRWVFTH-IBGZPJMESA-N 431.625 4.506 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](CC)C1 1689938423 KZKYNSIWOZOCPT-MRXNPFEDSA-N 439.412 4.909 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCCCN1CCCCC1 1690067503 ACDGLFRROLNYRY-UHFFFAOYSA-N 430.600 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1Cc1cccc(C(F)(F)F)n1 1690200409 WTJCOPQYJWNLFK-JOCHJYFZSA-N 425.458 4.708 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cccs1 1690248054 JXSJUBFYKNBAPC-PGRDOPGGSA-N 426.561 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccoc1C 1690250993 NURYXJBDKGMDIQ-QPPBQGQZSA-N 436.556 4.685 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CCC1 1690419345 OQRPRQYOMUYMTA-UHFFFAOYSA-N 429.996 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1cccs1 1690419379 QFIFXEBNODGCLR-QGZVFWFLSA-N 436.585 4.931 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](COC)C1 1690451471 HOEZZAKMCBXLNN-NRFANRHFSA-N 439.604 4.756 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1690503148 RRPKBTMVTUCCJZ-MRXNPFEDSA-N 429.927 4.923 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)Cc1csc(Br)c1 1690508512 KGIPLNFLRCQUTP-UHFFFAOYSA-N 441.439 4.920 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1690520830 FSYLGRCRNGPXKN-IBGZPJMESA-N 437.588 4.665 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc2ncccc2c1 1690534643 FSNLDAIAPWIGKD-NRFANRHFSA-N 448.571 4.569 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1nccn1C(F)F)C1CC1 1690550516 XPQHZEDAQPZUGI-UHFFFAOYSA-N 430.528 4.674 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1C/C=C\CC 1690605771 WUCGFOWTIUMYSV-SREVYHEPSA-N 444.377 4.840 30 10 IJEE C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)c1nccs1 1692732464 HRGUSSHREBUPQF-JFNLIGNMSA-N 442.633 4.587 30 10 IJEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(CCC#N)CC2CC2)ccn1 1696530353 GQYBKYGKPWSAMC-UHFFFAOYSA-N 443.580 4.502 30 10 IJEE COC1CCC(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 1697640592 IBLGTYRILJQIHJ-XPQZIERPSA-N 429.996 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(C)(C)SC 1705500666 RRKLFFFDJJPPCW-KRWDZBQOSA-N 435.037 4.851 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(Cl)=C(Cl)C1 1705526640 MWFDAYXJKYKNRT-UHFFFAOYSA-N 427.282 4.859 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705543853 VGTHBDRFJSVOSH-RPWUZVMVSA-N 449.643 4.670 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCO[C@@H]1CCCC[C@H]1C 1705591031 DCXHTFQXPJVQBY-IFMALSPDSA-N 430.552 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CC1CCN(C(=O)OC)CC1 1705712696 DGCRBLZWLUNVRE-UHFFFAOYSA-N 437.544 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)cc1F 1705720479 AHKULPBOXFXLLN-TZIWHRDSSA-N 430.568 4.795 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1705727663 SFIATZPYGBZFHM-OXJNMPFZSA-N 428.533 4.600 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCCCC[C@H]21 1705739665 MQBXDELGQJACHV-TZIWHRDSSA-N 428.552 4.748 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](OC)C(C)C)CC1 1705764705 KDCFRDSVPAFDPX-SFHVURJKSA-N 437.357 4.674 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1705782054 NITHOYKZZJYRDU-RBUKOAKNSA-N 438.469 4.806 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CCc1cccc(C)n1 1705864487 CVNREQAXARPJCR-UHFFFAOYSA-N 442.542 4.542 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1C1CCCCC1 1705875078 HBQXSNVTWNRSCN-HSZRJFAPSA-N 437.607 4.984 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CCCC2)n1Cc1ncnn1C(C)(C)C 1705878479 PYOFGNNWOLWREY-UHFFFAOYSA-N 447.631 4.641 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCO[C@H](C)C1 1705878974 IMYUIOJLXAEVGB-UXHICEINSA-N 436.556 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCSC2(C)C)C1 1705927947 JGKGYZBZXGKWLL-UAFMIMERSA-N 448.677 4.510 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1705942040 GESPCXFOWPQLBB-YLJYHZDGSA-N 448.423 4.756 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705942372 QEIINKJZRVVYSY-PKOBYXMFSA-N 430.618 4.896 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccsc2Br)cc1 1708896218 COGMVAWWSKICRE-AWEZNQCLSA-N 444.402 4.976 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl)C1CCCCC1 1711026235 HIMWPTMMKRPXRO-UHFFFAOYSA-N 436.947 4.713 30 10 IJEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1712727112 BAFSLNHHZSEHOB-YRNRMSPPSA-N 439.610 4.596 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1722356661 ZPMGBRMXKIJQRQ-RDPSFJRHSA-N 438.616 4.675 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cc(Cl)c(OC)c(OC)c1 1722472959 LYLMTUJSXSRUNK-HSZRJFAPSA-N 430.980 4.578 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(OC)cc(OC)c1 1722510226 SFXLPUHFIORXHY-AUSIDOKSSA-N 442.604 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 1722587372 LVGSCSIRXZXSJZ-UHFFFAOYSA-N 434.563 4.798 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCCCO1 1722654641 RNIRZXACSTYBKO-PKTZIBPZSA-N 440.588 4.680 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cccc(C)n1 1722677912 IDAKSSWTCLPQFF-UHFFFAOYSA-N 446.382 4.837 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCC2(CCCCC2)O1 1722678141 TZODHIYDDFRCIL-LJQANCHMSA-N 428.552 4.605 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1722732876 RNDLDJCFJPKIJF-LEWJYISDSA-N 427.662 4.812 30 10 IJEE C[C@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1cccs1)c1nccs1 1723802248 HZEBHFJQAAQOGV-MRXNPFEDSA-N 434.594 4.817 30 10 IJEE Cc1n[nH]cc1CCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1724100906 FDRFUHBKWWJWKL-HNNXBMFYSA-N 444.008 4.627 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(C2CC2)CC1 1740658732 NJKVFCDVKHWOKO-UHFFFAOYSA-N 430.596 4.808 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1740715152 DTJYZDBXSZIMKX-SFHVURJKSA-N 431.565 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCOCCCC 1740727485 NQJREJGDJMERHO-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(F)(F)F)CC1 1740763565 MRCYPYRPIDQGLV-VQIMIIECSA-N 440.535 4.690 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1740777264 SLDWHRYQAZAVBT-OAQYLSRUSA-N 441.645 4.540 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(F)F)C1 1740780738 LGQZGSLYQOHACN-GFCCVEGCSA-N 429.284 4.904 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740790682 VGOLDKHWQRLWFX-OAQYLSRUSA-N 449.599 4.870 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(CC)CCC)CC1 1740820249 WKIWPNINUKVQTE-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740845675 XUEWIMJVUTVJDP-XMMPIXPASA-N 444.023 4.502 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740863363 WAHDLQBTNZTYRG-LJQANCHMSA-N 443.640 4.613 30 10 IJEE C=CCCCCn1c(N2CCC([C@@H]3CC3(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740867009 VDCIRRSMCGRURY-SIKLNZKXSA-N 438.563 4.547 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1740877286 VBVXXIFPMXETQX-OALUTQOASA-N 431.625 4.669 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C(C)C)N1CCCC1 1740892538 XBVDBQYIETULRE-VXKWHMMOSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCCn1nc(C)cc1C 1740915463 HMLVTSTWJUPPDO-UHFFFAOYSA-N 436.604 4.680 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)SC 1740936906 NMYBZABMVVPOHY-MISYRCLQSA-N 432.634 4.776 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCCC1 1740937482 HLZRAJSEBQIZAG-NRFANRHFSA-N 428.577 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCc2ccccc2OC(F)F)C1 1740981169 VBTBGIDFVLIFOY-LJQANCHMSA-N 432.515 4.561 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCc1ccccc1Cl 1741246120 DZVZHPJOLPUDKL-TZIWHRDSSA-N 442.007 4.833 30 10 IJEE CC(C)N(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1741968037 DECXCMUMSUZFLX-SFHVURJKSA-N 445.011 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCSCC 1748648089 XUSIVMWNMNWVAR-MRXNPFEDSA-N 425.627 4.978 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(OC2CCCC2)nc1 1748655425 XTMMATKIWSRTNF-LJQANCHMSA-N 429.568 4.730 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1748721417 IJQMLDAPDAHRQD-UHFFFAOYSA-N 427.474 4.723 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCc2cc(Br)ccc2C1 1748739199 ADBVXDSZEGNPDA-UHFFFAOYSA-N 425.330 4.585 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC[C@H](C)C1 1748913133 PZDSHKSDAQUZOA-NRFANRHFSA-N 444.627 4.773 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N(C)Cc1cc(Br)cs1 1749028889 IAWUSXVQJYAYBR-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CC[C@H](F)C1 1749053787 LWLULDFXRRVHMN-AJGMTHFWSA-N 440.563 4.947 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(C2CC2)C1 1749143948 PDPLMBOZUAEJAI-VXKWHMMOSA-N 437.632 4.922 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1749343992 XXEKRBLNUBEFHG-HSZRJFAPSA-N 443.016 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749373162 GANRMJMENINMJR-IBGZPJMESA-N 442.608 4.697 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1cc(Br)cs1 1749387268 WXGBAJOOOJPQQW-OAHLLOKOSA-N 439.423 4.837 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1749406965 RCFMQWKFAOETMJ-QHCPKHFHSA-N 430.980 4.874 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCc1cccc(F)c1 1749507301 XRAQQVSFKUMKPV-FQEVSTJZSA-N 443.567 4.744 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1Cc1nc(C)c(C)s1 1749587145 JSGKBAZOTRWUQB-UHFFFAOYSA-N 449.580 4.903 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(Cl)nc2)C1 1749699924 FJQXMELDLGBOQL-INIZCTEOSA-N 448.329 4.616 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CCCS2)cc1C 1751561867 AXSCADUUCXUJEM-XMMPIXPASA-N 439.629 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1760198106 XOZDHSWLUPDWJD-NZQKXSOJSA-N 430.552 4.605 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCS1 1760223700 IXSMMVXDSRVLDH-NRFANRHFSA-N 436.625 4.647 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)OCCc2sccc21 1760236084 IFWZRHKQBUZAIQ-HSZRJFAPSA-N 441.000 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCC(C)(F)F 1760289022 LUTOUEIBSKCERH-HTAPYJJXSA-N 432.515 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(C)C)C1 1760320430 XGMBZHVDEUQGKU-DYXWJJEUSA-N 429.996 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C 1760324456 KLECVPVGUKFOMF-UTKZUKDTSA-N 432.996 4.974 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1cccc(Br)c1 1760335589 OSAWHSUSIWLPLF-IEBWSBKVSA-N 431.378 4.536 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760343397 REMKRHKNNKCAKH-UHFFFAOYSA-N 425.577 4.577 30 10 IJEE C=C(C)COCCn1c(CC2CC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1760359394 MGAVUMGDKTUSJN-UHFFFAOYSA-N 426.458 4.618 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1760406099 RXDKBURJMRKGTI-LJQANCHMSA-N 425.646 4.764 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760434377 YEALJOBBVMHFPG-UHFFFAOYSA-N 437.632 4.950 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](COC)C1 1760560716 CRVDURWCQVNXCT-IAGOWNOFSA-N 432.659 4.523 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCOC(C)(C)[C@H]1C 1760563725 ARQOBTSEKJMJKM-QGZVFWFLSA-N 439.585 4.523 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1764622872 AJZJYNDPNJUPDR-JOCHJYFZSA-N 444.583 4.921 30 10 IJEE O=C1C(=NO)c2cc(Br)ccc2N1Cc1ccc(OCc2ccccc2)cc1 1772728981 NNBIMJBQTWPJFL-UHFFFAOYSA-N 437.293 4.753 30 10 IJEE COC(=O)c1ccc(/C=C2\SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 1772739279 SQPMNDSEIMUJPH-IMYPBHDKSA-N 442.566 4.570 30 10 IJEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)n2)c1 1860554397 QJJSEZBEWKMEQK-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(O)cc2)ccc1F 1862507566 OKBWJCNQFBATAA-NRFANRHFSA-N 437.492 4.722 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c(OCC)c1 1862564054 QTTKFZQAQBTDFM-JOCHJYFZSA-N 438.524 4.532 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2)cc1OC 1862576578 XJCCXUKYKBZBPK-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862582397 CXAKEYPQQMZIEB-LJQANCHMSA-N 431.319 4.800 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCC)c(OC)c1 1862599978 ISOIPRROESWDQZ-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1Cl 1862627126 KITNSWNTZJAOBG-FQEVSTJZSA-N 427.884 4.837 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CC2)cc1 1862634799 UIRLQPRZGUMAJH-QHCPKHFHSA-N 449.503 4.725 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2cccc(O)c2)c1 1862699764 YGPAXZJOHRQADX-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(CCc3cccs3)C2=O)cc1 1863492558 AZHVZVPWDHUJLP-UHFFFAOYSA-N 438.512 4.536 30 10 IJEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2ccc(OCC)cc2)C1=O 1863568655 KZPGQOPHOVBTIC-UHFFFAOYSA-N 438.527 4.730 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCO)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633074 JYMZKZWEWFLVEA-UHFFFAOYSA-N 441.399 4.796 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccccc1F 1864080542 ZGUGNYLHVIQQHB-FQEVSTJZSA-N 442.579 4.776 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)/C=C\c1ccc(Cl)cc1 1870107783 YGLXPTRXXPXXJO-TWGQIWQCSA-N 432.698 4.810 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1C[C@H]1CCCO1 1870486897 ZUJWMBPFCHQPQE-RUZDIDTESA-N 444.575 4.934 30 10 IJEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2COc3ccccc3O2)C4)o1 1871353310 PFMPDTLSGFLUCL-MLZDUOQFSA-N 445.471 4.505 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccs4)ccc3C2=O)cc1 1871379351 CXHKWJPJTIUIGS-BGVJUERLSA-N 432.453 4.770 30 10 IJEE CCOC(=O)CN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871393999 XXYNUXAWMKJARQ-IWIPYMOSSA-N 443.499 4.670 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)o1 1871439406 XRKDFDAVLXOHLN-XKZIYDEJSA-N 434.444 4.969 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871462328 ONYIFKKCSCVBND-UCQKPKSFSA-N 448.446 4.751 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871836862 VRIGQNFGRKYQRY-JOCHJYFZSA-N 432.561 4.933 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871859747 PLLJFZBDQMJPGI-OAQYLSRUSA-N 432.561 4.735 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871911469 XDGKHQWIYXLIRN-QFIPXVFZSA-N 444.597 4.605 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872146818 XPTAPOFIIADYEE-HSZRJFAPSA-N 441.597 4.908 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872291555 HKSUHNPCPLJZAC-SFHVURJKSA-N 434.989 4.859 30 10 IJEE C=CCNC(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3Br)[nH]c2c1 1872802348 DMVNHZZZEVSUHN-UHFFFAOYSA-N 448.748 4.906 30 10 IJEE Cc1cccc(CN=c2nc3c(cnn3-c3ccccc3)c(Nc3ccccc3C#N)[nH]2)c1 1873477734 WYKURDGCMJTPHR-UHFFFAOYSA-N 431.503 4.773 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(Cc4ccc(Cl)cc4)CC3=O)sc2C)cc1 1873528035 CVUNCNDZIAFFIZ-UHFFFAOYSA-N 439.968 4.883 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2/N=C/c2cn(C)c3ccccc23)cc1OC 1874197471 LRJUKVUMZBXYLV-MFKUBSTISA-N 449.580 4.566 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1cccc(O)c1 1874297171 NSWUEAFCMRYVNA-BUVRLJJBSA-N 445.504 4.657 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)c1 1874452435 VPGLCNZNLHKESX-PCLIKHOPSA-N 449.580 4.947 30 10 IJEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874482016 UYHHPPFIAHJUQT-AWQFTUOYSA-N 439.379 4.603 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1c[nH]c2ccccc12 1874522327 NYBSHVKVFRXRMG-DHRITJCHSA-N 432.553 4.552 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)cc1OC 1874582521 RLFHXGSBMIDSBA-FNORWQNLSA-N 436.863 4.724 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(F)cc1 1875151510 NUMBKXLJYQENSL-BJMVGYQFSA-N 448.446 4.997 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(OC)c2)c(OC)cc1Cl 1875173824 WTIDYLOWFGQMMF-VQHVLOKHSA-N 430.884 4.967 30 10 IJEE CCCC#CCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1903042525 GQKKDHDPFFCWKA-QHCPKHFHSA-N 437.561 4.905 30 10 IJEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1987805027 RPZMNMKRZJKNTG-AUUYWEPGSA-N 435.487 4.714 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2020316725 FHGFLKOLIAWPGA-NTKDMRAZSA-N 437.625 4.617 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2(C)CC2)c1N 2080038397 QZFBCIYWUXOMIE-CYBMUJFWSA-N 439.331 4.818 30 10 IJEE COc1c2c(nc3c(-c4c(F)cccc4C(F)(F)F)c(C(F)(F)F)nn13)CCOC2 2081468781 MUZKAOHAXYRGRV-UHFFFAOYSA-N 435.299 4.654 30 10 IJEE CC(C)[C@@H](CCN(C)c1cc(Br)cc(F)c1C#N)NC(=O)OC(C)(C)C 2118192206 MUSCEBPMBZXBAE-MRXNPFEDSA-N 428.346 4.835 30 10 IJEE C[C@@H]1CN(c2cc(Br)cc(F)c2C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2118200444 FKFJGSQXAMWZGF-CHWSQXEVSA-N 426.330 4.542 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3ccc(Cl)cc3Br)CC2)OC1(C)C 2163722170 WYBNJGIEZLWMPY-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C)C(=O)Nc1ccc(Br)cc1C#N 2181043464 BFVWKMJXRFSJSJ-JXFKEZNVSA-N 436.350 4.733 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2235728124 QFCOXFGVRYZNTP-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(O)C#Cc1ccccc1Br 2235740970 RUGQMQWYSJTFGU-VGOFRKELSA-N 434.374 4.637 30 10 IJEE C=CCC1([C@H](NCC)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2239713968 LRYSNRSFZZUNBF-GOSISDBHSA-N 439.394 4.922 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)c1 2254793405 SFGAOWXPSDLROH-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2255667073 DUZMLZDNRNBIKX-UHFFFAOYSA-N 429.316 4.705 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2266060695 DIMWHARCXQFXBM-INIZCTEOSA-N 439.365 4.710 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)cc21 2267117043 WUWJETRBPRQZQA-CALCHBBNSA-N 442.365 4.795 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@H](O)C#Cc2cccc(Br)c2)C12CCC2 2296223125 ZBVNMGDDCVTLJB-BHIYHBOVSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@H](O)C#Cc3cccc(Br)c3)ccc21 2296223922 FJVPPBKADMYBSQ-HXUWFJFHSA-N 428.326 4.832 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](O)C#Cc3ccc(Br)cc3)CCC[C@H]12 2296276653 KIQCSPIPPQXYJL-NNMXDRDESA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 2296289308 QHOUXMYJDAKJPJ-LYBXBRPPSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1cccnc1NC(=O)OC(C)(C)C 2296294087 PWTGBKYKWBLPIC-GOSISDBHSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304176098 MFWYNQHBKWHLTP-CVEARBPZSA-N 434.541 4.606 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 2305398668 YFOOMBARCKHFHB-KEVCNVLYSA-N 428.573 4.840 30 10 IJEE COc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(OC)c1O 2313541580 PETMFXYVNYAKES-UHFFFAOYSA-N 425.293 4.608 30 10 IJEE N#Cc1cccc(NC(=O)c2ccc(CN3CCN(CC=Cc4ccccc4)CC3)cc2)c1 2321753984 SNALXXVTGRAVMV-UHFFFAOYSA-N 436.559 4.642 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cc1OC 2322234522 OEJKGZHXMHXVFT-UHFFFAOYSA-N 446.960 4.706 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2OC(=Cc2c(Cl)cccc2Cl)C3=O)C[C@H](C)O1 2324017451 RGHFHMRZYHURID-STQMWFEESA-N 434.319 4.924 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)OCc3ccccc3)cc(C)c2C1=O 2324221034 MOLCJNDEKFEQSL-UHFFFAOYSA-N 430.456 4.742 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1F 2324627921 CKKPPJGYACLKGB-MRXNPFEDSA-N 438.480 4.865 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2Cl)C3=O)c1 2325572008 WPGGOXOENMWMPF-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1OC 2325702713 CXSFCRHNFVOGRI-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCCOc1c(OC)cc(C=Nn2c(CC)nnc2SCc2ccccc2)cc1OC 2326216793 VNWUFRFJWCMPRC-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE CCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc(Cl)c1O 2326238681 NXGMECSHWMADNU-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(O)c(Cl)c1 2326843813 OZNKZFIQCLSORK-UHFFFAOYSA-N 448.932 4.534 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)cc1OC 2330717908 CTOSYAJJIHYWLC-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@H]1CCCO1 2330949466 XHTXAPLCLYPMLS-HXUWFJFHSA-N 449.580 4.668 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)o1 2331201138 RYQVNJRZSNQXRY-UHFFFAOYSA-N 440.456 4.621 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccccc2C)o1 2331450585 AVULWOAYOJDBGG-UHFFFAOYSA-N 426.542 4.729 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331459751 RLNUBQBKOXOLCD-FQEVSTJZSA-N 448.874 4.867 30 10 IJEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCC(=O)N[C@H](C)c1ccccc1 2331472580 FVSDGHVBMVJNGP-LJQANCHMSA-N 435.597 4.637 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)c(OC)c1 2331521158 HIFLYBKVSIJDDX-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582500 QXFVVGPUFMIVTB-MJGOQNOKSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CCC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2342471631 SBXSQVYFKIDVBN-GOSISDBHSA-N 444.381 4.661 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](CCc1ccc(OC)cc1Br)NC 2364849154 OIEMWULAHIOCOK-MOPGFXCFSA-N 441.410 4.838 30 10 IJEE CSCCC1CC(OCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C1 2377290771 LATORGXVUDHURS-UHFFFAOYSA-N 441.240 4.797 30 10 IJEE Cc1ccc(CSc2nnc(NN=C(Cc3ccccc3)Cc3ccccc3)n2N)cc1 20826950 MPEOQTZYZLRPIQ-UHFFFAOYSA-N 442.592 4.846 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3cccnc3)n2)cc1 20837160 GEXLBXVTQQMROB-CXEIWHQESA-N 437.573 4.670 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2ccc(OC)c(O)c2)C1=O 37500354 FFZAHGTTWKYRAE-LICLKQGHSA-N 431.897 4.598 30 10 IJEE C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C/c2cc(Cl)cc4c2OCOC4)C3=O)C1 37857965 CQEZUTLYWOFDHN-SLSPDHCBSA-N 441.911 4.760 30 10 IJEE COc1cc(/C=C2\S/C(=N/c3nccs3)N(c3ccccc3)C2=O)cc(OC)c1O 39865005 RSIXDVBENATKBS-NFUVTUGJSA-N 439.518 4.675 30 10 IJEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2)cc1 66437763 BOZUMDPIJKNRQK-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N\NC(N)=S)CC(C)(C)C3)cc1 101109879 ZIJGGKBRGVXIIF-ONUIUJJFSA-N 442.585 4.529 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)cc2)cc1 103098185 GABOWALXTHBLET-UGUGFTGJSA-N 444.487 4.505 30 10 IJEE COc1cccc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)c1OCc1cccc(Cl)c1 169936658 GVGMUHSSRGSKFI-HXUWFJFHSA-N 430.957 4.652 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)c1 169957679 ALFUQVDSMGEBTN-HSZRJFAPSA-N 441.439 4.930 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccco2)cc1 170097278 PQRJNVQPWUYSJT-LJQANCHMSA-N 438.505 4.530 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1 170102962 VZRKZEDRXQWZOE-QFIPXVFZSA-N 435.451 4.557 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(N(C)C)cc1 170129683 GNGQSYJZPNHHPD-HSZRJFAPSA-N 436.552 4.838 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)c(OC)c1 170141267 OANRUFBQPSHSAP-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)c1 170154041 DDNNTIQWUCFVLJ-FPTDNZKUSA-N 447.512 4.863 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccncc1 170200685 XDARRANLEIGWOV-QFIPXVFZSA-N 428.488 4.798 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1 170203773 GMCGSIKMAURWEI-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 170246428 SCXMIEKMTUCKHL-IBGZPJMESA-N 448.302 4.753 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F 170248361 GASOSTNPJAUZTG-NRFANRHFSA-N 439.389 4.895 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1C1CCCCC1 170275315 RWYLQVNLPTWZQQ-QHCPKHFHSA-N 433.504 4.677 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccco1 170290393 KBYIMNMAKCFOBV-FQEVSTJZSA-N 439.414 4.966 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)c1 170330409 RTXIWGOMCBHAQC-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccs2)cc1OC 170416204 WRFOQYPAMKKQHL-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CN(C)CCSc1cccc(-c2ccnc(-c3cccc(C[C@H](S)N(C)C)c3)n2)c1 198869111 BROCHQYGABQUNP-QHCPKHFHSA-N 438.666 4.824 30 10 IJEE COc1ccc(-c2nc(S[C@@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)n[nH]2)cc1 209602731 MBQWTVFBJYOPTJ-JTMDUIFQSA-N 434.565 4.842 30 10 IJEE CCN(CC)c1ccc(C=Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(O)c1 254841872 UMHZNUYYWVLOCK-UHFFFAOYSA-N 441.528 4.929 30 10 IJEE CN(C)c1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)c2c[nH]c3ccccc23)cc1 302738658 QGEXKPVZAABEMC-LJQANCHMSA-N 426.480 4.653 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C 471070628 VDTNQSHURVDMCT-UHFFFAOYSA-N 433.512 4.802 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccc(F)c1 526831189 JSBNUKHVLFIROP-FMCGGJTJSA-N 430.505 4.702 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 543873150 GVFZNUGDFPWPRQ-SCLBCKFNSA-N 449.498 4.528 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Cn2cc(C)cn2)CC1 549263992 SKDNJRUUZONBFT-LJQANCHMSA-N 438.551 4.555 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 549676002 HSNMTSBSSOQMHL-QGZVFWFLSA-N 427.549 4.721 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 549676410 PSGDZRQCUIVSIV-FQEVSTJZSA-N 443.473 4.821 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 557610149 CMKYLSHNAWPQOR-RZFNWQHOSA-N 437.584 4.895 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)c1 586139972 PXDLGYRVXBCDSV-SFHVURJKSA-N 436.533 4.528 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 608935994 MVVYEFWZZFJLGR-UHFFFAOYSA-N 446.595 4.507 30 10 IJEE CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccc(C)c(Cl)c3)S2)cc1 725410276 WGOUJWFHCCEGJN-SFHVURJKSA-N 431.945 4.637 30 10 IJEE C[C@H](SCc1cc(Cl)ccc1OCC#N)c1nc(N)nc(Nc2ccccc2)n1 735318049 IJRFOADHBONJCK-ZDUSSCGKSA-N 426.933 4.748 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 745879482 BWBHOFGQPPFBFI-QFIPXVFZSA-N 434.540 4.522 30 10 IJEE CC[C@H](C#N)Oc1cc(CN[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)ccc1OC 763262087 LUAPHWVLLWCJIN-XLIONFOSSA-N 437.323 4.687 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CC[C@H](CC(F)(F)F)C2)c1=S 766115854 CWOSINYPUIHTPX-CQSZACIVSA-N 430.471 4.550 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@]3(C2)OCc2ccccc23)c1=S 774707233 XXVUWULYZPOSQM-RUZDIDTESA-N 448.592 4.755 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccc(N4CCOC4=O)cc3)cc2)c1 783055604 BLBURTOKJZKRHQ-UHFFFAOYSA-N 428.448 4.629 30 10 IJEE CC(C)(C#N)c1ccccc1COC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 786793910 RVLKJFJQSRCCKE-UHFFFAOYSA-N 440.569 4.849 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Br)cn2)no1 904844737 OFOQFFUABGCNFJ-LBPRGKRZSA-N 429.702 4.603 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)Oc2cccc(C)c2)c(C(=O)OCC)c1C 1124822284 ZUCCIIDHMBVGGT-KRWDZBQOSA-N 445.537 4.681 30 10 IJEE C#CCOc1cccc(OC(=O)Cc2csc(-c3sccc3Br)n2)c1 1125978084 GGUDCCXEYDIWJF-UHFFFAOYSA-N 434.336 4.794 30 10 IJEE Cc1ccc(NC(=O)c2ccc(Br)cc2C#N)cc1OCC1CCOCC1 1126474941 DRBWHFNUDCPXAR-UHFFFAOYSA-N 429.314 4.687 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CC)(c4ccc(Cl)cc4)CC3)cc2C1=O 1128644686 IYBAVWUGDAZRCG-UHFFFAOYSA-N 436.939 4.706 30 10 IJEE Cn1nc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c(Br)c1C(F)(F)F 1129094981 CDTXGYPZQBUAHZ-UHFFFAOYSA-N 445.239 4.503 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1OC 1129950961 HOJPAYMNQITSPM-NTMALXAHSA-N 427.570 4.525 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@H]2c2cccc(F)c2)s1 1131249184 RZBRTAHWERBGPQ-INIZCTEOSA-N 426.966 4.578 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)cc2n1 1134291587 YOYRBLYCGGBFGJ-KDURUIRLSA-N 446.551 4.643 30 10 IJEE COc1ccccc1C1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCC1 1138112772 BUNPKXHAIXTQME-UHFFFAOYSA-N 426.516 4.998 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(-c3cc(C)cc(C)c3)[nH]n2)nnc1-c1ccco1 1143284918 HGQKMIJZJSAHOZ-UHFFFAOYSA-N 448.552 4.852 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 1160657088 PCJWFIWVILWMCQ-NRFANRHFSA-N 449.364 4.851 30 10 IJEE C#CCOCSc1nnc(COc2ccc(OC)cc2)n1-c1ccc(C)c(Cl)c1 1164447282 DRAAYEDLYKYNGE-UHFFFAOYSA-N 429.929 4.516 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCCN(c2ccccc2Cl)C1 1177924512 KLTYRKLLVSRBOC-GOSISDBHSA-N 433.777 4.873 30 10 IJEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)CC1 1184246693 MLXJZUUSJWZRHO-UHFFFAOYSA-N 436.936 4.756 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(Cc3ccc(Br)cc3C#N)C2)C1 1194392475 AWLZWWSQFMWKEV-AEFFLSMTSA-N 448.405 4.790 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1 1200027237 XLBWOSQFAOEZQI-LJQANCHMSA-N 429.586 4.983 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1201432043 CBXWDWUNFJKFCG-UHFFFAOYSA-N 425.467 4.931 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1 1230499296 UDRWCUYPKLXNIA-ACRUOGEOSA-N 445.332 4.824 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)NCCOc1ccc(Br)cc1C(F)(F)F 1231335003 QIHNAIUXOUHYBR-AWEZNQCLSA-N 435.284 4.987 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1 1254755174 POHLENIMOORNGA-DEOSSOPVSA-N 444.579 4.662 30 10 IJEE C=C[C@@H](CC(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 1264191995 GOCBZWOBRQENDK-SFHVURJKSA-N 439.508 4.916 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1264219811 ZWXUQGSRQGFODB-LJQANCHMSA-N 427.314 4.873 30 10 IJEE C=CCSCCNC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 1268880360 ZISAXISQEZCXOV-UHFFFAOYSA-N 438.500 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)CCC 1286423668 VUBSOAIYMUXGKR-QHCPKHFHSA-N 441.000 4.827 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCSC(C)(C)C1 1286499358 QGPNRPXZYFJXDB-UHFFFAOYSA-N 446.711 4.974 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCC(OC)CC2)CC1 1286638213 WUYBDSJFVHRJGF-XEVCZEQESA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1286664427 XSJLAJCZOFKBTF-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOCC2(CCC2)C1 1286682278 JFJLDAIDAHFWMY-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](OC)[C@H](C)CC)C1CC1 1286732846 GFKVYGZLVSHRIX-DNVCBOLYSA-N 433.394 4.924 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1286734811 IEENJCIRDXDRDY-MSOLQXFVSA-N 444.023 4.882 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@H]1C 1286745454 UDKDOMZPZRYRFJ-QUCCMNQESA-N 440.588 4.935 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H](C)C1 1286746882 HGJQEVSBJFOUFC-UXHICEINSA-N 435.547 4.795 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)N(C)C 1286749194 MSEDFBMGBLRGPA-CTNGQTDRSA-N 441.601 4.670 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1286751212 NASMMNVXJACFMZ-XZOQPEGZSA-N 441.664 4.641 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 1289587265 SCPYCLBKASZIJA-PMERELPUSA-N 426.538 4.791 30 10 IJEE C=C(C)CN1CCC(NC(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1293033483 LDAGAVYJLCZXDP-JOCHJYFZSA-N 435.653 4.787 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1 1295551036 CRCLACHCWJMSBU-FGZHOGPDSA-N 429.605 4.672 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1SCCc2ccccc21 1300328013 GUHXBPNKABSORZ-BRKWEVRTSA-N 438.641 4.685 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1CC 1300371266 BATPVHOOYNAKDL-SFHVURJKSA-N 431.378 4.802 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1300431016 RTLJHGRAZUVNIE-UFYCRDLUSA-N 444.023 4.509 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(OC)CCCCC1 1300545311 NSEGLWKDLWGIQV-UHFFFAOYSA-N 448.611 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCCCO 1300790885 ZHRSUXIOTBQGNP-XMMPIXPASA-N 438.572 4.967 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C)[C@H](C)C1 1300843397 AUXKYMBFBPSHFG-HUUCEWRRSA-N 442.361 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OCC)C1 1300873416 GADGVXUFECVQHZ-MDKPJZGXSA-N 448.970 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](COc2ccccc2)C1 1300885088 NVFZOQBXNHAJPQ-HFMPRLQTSA-N 438.616 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1300897536 SFMDYYMCICBUCU-XMSQKQJNSA-N 442.560 4.675 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1300944699 DVLLSSKHQQLYQC-GOSISDBHSA-N 448.571 4.515 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1300997327 UJYGABMADJSFKF-FQEVSTJZSA-N 426.605 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2=CCCOC2)CC1 1301112365 SLMKZMZTTQEPGC-UHFFFAOYSA-N 447.352 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1301118748 HIFWKNRTVUKPSX-UHFFFAOYSA-N 433.453 4.892 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1Cc1ccc(-n2ccnc2C)nc1 1301346325 AKJBIQGKAWLFJO-HXUWFJFHSA-N 441.583 4.922 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1cc(COC(C)(C)C)on1 1301384589 RFSGTJSHWIDODF-UHFFFAOYSA-N 425.508 4.614 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cccc(Sc2cccc(Br)c2)n1)C(=O)OCC 1303111985 PMOFAFWHBDDTAP-KRWDZBQOSA-N 449.370 4.623 30 10 IJEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCCC2)C1 1303582478 DLVRYCQDXOXVJU-UHFFFAOYSA-N 425.602 4.641 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2cccc(Br)c2)C1 1307778796 HLQHSHLZOWSRJX-ZFWWWQNUSA-N 444.398 4.687 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 1312536872 BSDPHGHLVYUTGP-WIXQSORDSA-N 442.922 4.886 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(Br)ccc2OC)CCCN1C(=O)OC(C)(C)C 1351275240 MUYAONAMGYFRQD-FQEVSTJZSA-N 439.350 4.742 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)cc1 1353395904 CFWUSGCQDPIBOZ-IBGZPJMESA-N 448.441 4.922 30 10 IJEE CC[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc2c(c1)OCCO2 1355113683 AUADVRCXNYGWJA-QHCPKHFHSA-N 428.488 4.790 30 10 IJEE C=CCc1cc(CNC(=O)CCc2cccc(F)c2Br)cc(OC)c1OC 1356305718 XUXQVZPKDBILPR-UHFFFAOYSA-N 436.321 4.583 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)CCCN1C(=O)OC(C)(C)C 1357152301 IFMXTYSULGQSCO-VWLOTQADSA-N 442.556 4.748 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1c1csc(C)n1 1359058411 COFOKNIRMPINGS-OAQYLSRUSA-N 437.638 4.650 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(C)C)C1 1359087871 TVRUKECXSIKUSC-GOSISDBHSA-N 433.394 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccoc1 1359091743 RIVXDIBHYQLDJH-KPLVRAHFSA-N 440.519 4.768 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1359121253 DXQQZKSDXTWYBQ-LJQANCHMSA-N 431.378 4.852 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1359127772 ZZCWONBZWSAUHN-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCCCCC1 1359128607 ZIPWEUMGQHMZOO-UHFFFAOYSA-N 425.396 4.742 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2sc(C)nc2C)CC1 1359182261 ZBMLWKNEEBVKNV-UYAOXDASSA-N 429.634 4.721 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(=C)C 1359189536 NHYDYMPCBSHYLG-LJQANCHMSA-N 447.624 4.591 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1359220022 LUDAHTDGXRYRCG-DYESRHJHSA-N 442.560 4.990 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359242219 UZNCBBRFDAJZJB-RTBURBONSA-N 430.040 4.901 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCc1sccc1C 1359256105 UYFPUDVFZLJMOY-UHFFFAOYSA-N 428.565 4.950 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCC[C@H]1C 1359261388 HBLVCVGVCPXALV-CLOONOSVSA-N 426.580 4.894 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCCCO1)C(C)C 1359992832 GBHCBDYIWTWHDK-OAQYLSRUSA-N 425.577 4.559 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(N(C)C(=O)OC)cc2)s1 1434880619 AYIWUNNDPCBVMF-UHFFFAOYSA-N 425.963 4.680 30 10 IJEE CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C#N)ccc1F)C1CC1 1435881230 HIAPVKLJDSVTRP-IBGZPJMESA-N 435.282 4.913 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)n2)cc1 1436151121 FODGENHRSVQYND-UHFFFAOYSA-N 445.372 4.756 30 10 IJEE C#CCOc1ccc(NC(=O)C[C@@H](C)CCc2ccc(I)cc2)cc1 1456315830 SQSZXWQRLSZJTD-INIZCTEOSA-N 447.316 4.901 30 10 IJEE C#C[C@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC)c1ccc(F)cc1 1462282306 WIFWHNWNGHASJP-IBGZPJMESA-N 432.282 4.569 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1462500518 CJENWKXITCLFOM-HSZRJFAPSA-N 440.609 4.997 30 10 IJEE C=CCN(CCC#N)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1467394111 YIWGGHMVJAOWAI-UHFFFAOYSA-N 427.302 4.635 30 10 IJEE C=CCCC1(CNC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)CCCC1 1470791144 ZZSOREPBMBTNTB-UHFFFAOYSA-N 449.393 4.977 30 10 IJEE C=C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1)C(=O)OC 1472919049 YOUJZPAIWIHCPE-SFHVURJKSA-N 429.929 4.806 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)c1ccc(F)c(F)c1 1478472827 VEIZFLUFSZHEIN-SJLPKXTDSA-N 441.247 4.917 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1496602844 DKYXBBIBWZSQFH-RDGATRHJSA-N 434.588 4.788 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C/C=C/c1ccccc1 1507523682 QBSNGPUAFGFNJK-KUCQQTCKSA-N 427.371 4.940 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(OC)nc1 1507526784 IFMHDIFZYAOOKZ-MRXNPFEDSA-N 447.539 4.723 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1507578374 ZUMAMLAPZPABHX-MRXNPFEDSA-N 442.336 4.582 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCC(C)(C)C1 1507663862 LAMAAFKARAVNLP-UHFFFAOYSA-N 445.655 4.828 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1507685909 XFNDNKSVQAHRNP-QGZVFWFLSA-N 432.515 4.637 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](SC)C1 1507752728 CVFYCKRRGRITHT-LJQANCHMSA-N 435.062 4.611 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1507837086 IIEAFMXVQPAWMK-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H](C)c2ccccc2)CC1 1507898979 XXYQSFNKQNSMPX-QFQXNSOFSA-N 438.616 4.915 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1507913281 WLZVGWKKOQFUAU-UHFFFAOYSA-N 441.583 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1507918497 CMVZZAUGWZDZDV-RXVVDRJESA-N 428.552 4.604 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)CC[C@@H]1C 1507925741 JYFYKIXHTWYROW-ROUUACIJSA-N 444.649 4.528 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCn2ccnc21 1507928551 HUPKADWCBSJXDB-QFIPXVFZSA-N 429.572 4.773 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnc(C)s1 1507929295 PMMGUQDPELZPKZ-OAQYLSRUSA-N 439.585 4.786 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC=CCC1 1507996131 GQKSMJUGRHCQFD-JOCHJYFZSA-N 429.568 4.821 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO1 1508011543 STKKECSRSVVRKU-MISYRCLQSA-N 430.618 4.630 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CC[C@](C)(CC)O1 1508037740 OMQWLXWIDZCPGJ-FNZWTVRRSA-N 449.599 4.788 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCCc2nc3c(s2)CCCC3)C1 1508108868 JEVSQORNXRZTEM-ROUUACIJSA-N 429.634 4.541 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCSC2(CCCCC2)C1 1508155874 SCMBSLBBHQVCSY-UHFFFAOYSA-N 429.659 4.824 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1508161524 FTLNYJNWZMQODP-WOJBJXKFSA-N 433.021 4.589 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1509094996 DCOMKLVYDPNSDY-NHCUHLMSSA-N 439.629 4.600 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1509553304 ALGLSCGRNODONV-DVECYGJZSA-N 441.023 4.849 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC2(C(C)C)CC2)c1 1514619418 KGCKXXFEXVRIKX-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2ccc(C#N)cc2Cl)(c2ccccc2)C1 1517070609 BJXMNIKTOCIEOL-HSZRJFAPSA-N 425.916 4.729 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccc(C(F)(F)F)cc1 1520114539 VPQSOCCVBFAPEN-LAUBAEHRSA-N 446.469 4.891 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 1521679095 JSXMTEBIKMFJNV-IBGZPJMESA-N 442.737 4.801 30 10 IJEE C#CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@H](C)C2 1526824922 KRLGFERYGRJWOC-UQNFDQQLSA-N 440.543 4.746 30 10 IJEE C#C[C@H](NC(=O)c1cnc(Br)c(Br)c1)c1ccc(Cl)cc1F 1528524140 VXYUOUCXASGACJ-ZDUSSCGKSA-N 446.501 4.503 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2cccc(COc3cccc(F)c3)c2)CC1 1529543232 HYJGWMSTABDPJE-UHFFFAOYSA-N 445.494 4.791 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2c3ccccc3CC[C@@H]2N2CCCC2)cc1OC 1529906259 KWZZOIVIHHOWIA-AIAMTEFVSA-N 432.564 4.541 30 10 IJEE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2ccc(C#N)c(Cl)c2)cc1 1531634730 ICVLBTMERUUDIA-UKILVPOCSA-N 445.950 4.618 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(F)ccc2I)c1 1536871038 ISYNOEJMFBGHBS-UHFFFAOYSA-N 445.231 4.852 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC1CCC(C(F)(F)F)CC1 1539032381 VTJPNCJTUNWKJN-KLAILNCOSA-N 438.469 4.823 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1539052349 NVNVQQHVBCUGTE-OAQYLSRUSA-N 447.583 4.628 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nccs1 1539237621 HGLPAYZATRXAFU-UHFFFAOYSA-N 437.981 4.585 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCC[C@H]1C 1539272906 GYBMKEAQCRYZJK-CTNGQTDRSA-N 439.003 4.761 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(-c3cccc(OCC)c3)n2)CCCN1C(=O)OC(C)(C)C 1539317611 USQLCEWYQGKHOJ-SANMLTNESA-N 449.551 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC1CC1 1539614791 CFXFYTXDRSWHJZ-JUXOCIIHSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1539621698 AYULVEJGYHVCAZ-CIQXWFTPSA-N 442.579 4.705 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CCCO)CC1 1539622366 WSHDXBYDJHTAPR-IFMALSPDSA-N 445.007 4.569 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1539960954 KVPYKMSMNAFDGL-HSZRJFAPSA-N 430.600 4.716 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@H]1CC 1540028212 AVUQYFMJWRBZMV-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(CSC)cc1)C1CC1 1540111320 GTODVYABDUOHTN-UHFFFAOYSA-N 425.627 4.700 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCC1(OC)CCC1 1540127514 GDTSPVITUVBYKA-QFIPXVFZSA-N 435.572 4.543 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@@H]1C 1540129066 RDOCMAZVQAAPDX-RDPSFJRHSA-N 433.600 4.748 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@@H]1C(=C)C 1540133159 CMZNYOCKQKXATD-NFBKMPQASA-N 433.531 4.653 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CC(C)C 1542662221 QNDGKBSDFIRXLY-UQBPGWFLSA-N 445.563 4.914 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1c(O)cnc2c(Br)cccc12 1544936897 IYSFWZYWUOWSJL-UHFFFAOYSA-N 427.298 4.540 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1)c1ccccc1 1545981638 YJAKSBIXFUWQSR-HXUWFJFHSA-N 428.458 4.970 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)C1 1554695745 FHFDYPWZSXFFDK-VWLOTQADSA-N 437.588 4.704 30 10 IJEE C=CCC1(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(OCC)cc3)c2)CCCC1 1568998269 FZDHMIREFSUANM-UHFFFAOYSA-N 442.581 4.752 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 1569724625 AXXSTXZTHCGDHN-ROUUACIJSA-N 449.979 4.526 30 10 IJEE Cc1cc(Br)ccc1SCC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1584712529 FVCGNWRTDAPCOR-UHFFFAOYSA-N 445.317 4.685 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](OC)c1ccc(Br)s1 1587182303 LGUJOWSJNCAOPW-QGZVFWFLSA-N 426.380 4.580 30 10 IJEE CCNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1587190638 BYIWMDBNKLAKCO-QGZVFWFLSA-N 441.915 4.745 30 10 IJEE C=CCC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)CCCC1 1587304828 POGRHQXTDUHEPI-QGZVFWFLSA-N 439.021 4.627 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)Cc1cccs1 1588088618 AFOVSPHEEMNRGG-IBGZPJMESA-N 439.588 4.815 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@@H]1CC=CCC1 1588993001 BQQUDGWHNJBJLG-QGZVFWFLSA-N 432.540 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCS1 1589171743 QSMLMLANMPRCPX-YLJYHZDGSA-N 431.403 4.595 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CC1CCC1 1589421751 XAOUALDXRYTDRV-UHFFFAOYSA-N 425.321 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@@H](C)[C@H]1C 1589514865 IYVKRSXGOVCMLA-YZLZLFLDSA-N 433.021 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1589687407 DTJFVQHDQMXNBB-NBGIEHNGSA-N 443.611 4.909 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1594202698 SNBRQKPEZXKHIX-UTKZUKDTSA-N 448.409 4.786 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1594484855 WWPWWIBOZHDQJW-IBGZPJMESA-N 448.615 4.770 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1594661156 RINCOBGNWYFNBU-PZJWPPBQSA-N 426.561 4.845 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1Cc1cccnc1OC1CCCC1 1594997866 RBFWCQZNZCXIEW-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1595065032 HCPMWRJDXWQEDE-IFMALSPDSA-N 438.616 4.995 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H]1C(C)C 1595133444 HEJBYOAOQUTUNJ-PUHATCMVSA-N 442.579 4.913 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1coc(-c2ccc(C)cc2)n1 1595204433 DDLASVONBIXIIJ-UHFFFAOYSA-N 426.524 4.839 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 1596342955 GAPDOUNHHHEKBG-PZJWPPBQSA-N 449.494 4.569 30 10 IJEE C=CCc1cc(C(=O)NCc2cc3cc(Br)ccc3o2)cc(OC)c1OC 1596797995 HLGIZJQANVWGNN-UHFFFAOYSA-N 430.298 4.871 30 10 IJEE C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc(N2CCNC2=O)cc1 1610899062 AWBPRHXRICAXRZ-SFHVURJKSA-N 440.503 4.566 30 10 IJEE Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@](C)(C#N)C2)no1 1611954732 IDTHFZACCXYROE-RUZDIDTESA-N 448.571 4.629 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cc(Cl)ccc3C2)n(Cc2ccccc2)c1C 1617161800 FTNXDCHSEKPDIS-UHFFFAOYSA-N 432.955 4.675 30 10 IJEE C=CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 1626437945 WCEDDUXVVQUGRR-NZCCEVMUSA-N 443.503 4.687 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(Cc3cccc(C)n3)Cc3cccc(C)n3)cc21 1627746482 IROFXYMYENZBOW-UHFFFAOYSA-N 426.524 4.863 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 1629966586 WYYBEOGIDAWKPK-NRFANRHFSA-N 444.579 4.599 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(CN3CCCCCC3)cc2)cc1OC 1631307696 XMFINTRPMLXQNZ-FYWRMAATSA-N 434.580 4.966 30 10 IJEE Cn1cc(CNC(=O)c2cccc(Oc3ccc(Cl)cn3)c2)c(-c2ccc(C#N)cc2)n1 1632719782 BJJDJNUCINGMEU-UHFFFAOYSA-N 443.894 4.729 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 1632832032 AZSPALFNBOPZPU-QGZVFWFLSA-N 443.569 4.933 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 1633169992 XNRGWTBDCSHUKN-LLVKDONJSA-N 447.771 4.602 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 1633433811 SGOWUTQIIXELSH-DEOSSOPVSA-N 444.579 4.564 30 10 IJEE CN(C)C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Cl)cc1 1636077511 APHTYANRJAINKG-HSZRJFAPSA-N 447.966 4.866 30 10 IJEE C=CC[C@@H]1N(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CCCC1(C)C 1639766800 YKZQZKSFRPOSKP-BVZFJXPGSA-N 426.420 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(c3cc(Br)c(C#N)cc3F)C2)C1 1639988548 LHOCJMOMHOHLHL-FQEVSTJZSA-N 438.341 4.687 30 10 IJEE CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 1640280795 CYBBFRYFAKIOJH-UHFFFAOYSA-N 436.527 4.929 30 10 IJEE COc1cccc([C@H]2CN(C(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)CCN2)c1 1642103684 GXJOGBCMPIZUBO-JOCHJYFZSA-N 447.922 4.799 30 10 IJEE C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccc(F)cc2C#N)CC1 1648066756 FVEPGRAPSYHNIU-CQSZACIVSA-N 445.420 4.649 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C(CC)CC)N(C)C 1649538367 CLCSAOKMNNXIOX-DVECYGJZSA-N 432.616 4.626 30 10 IJEE Cc1oc(NC(=O)[C@@H](C)N2CC=C(c3cccc(Br)c3)CC2)c(C#N)c1C 1653219757 AUUVBSQXDWXKRP-CQSZACIVSA-N 428.330 4.647 30 10 IJEE Cc1c(C#N)c(NC(=O)CNC2(Cc3ccccc3)CCOCC2)n(C2CCCCC2)c1C 1654454838 DXLLTMIADJHMNV-UHFFFAOYSA-N 448.611 4.802 30 10 IJEE C[C@H](N[C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(CCC#N)c1ccccc1 1654569360 GOGPFCHQTYOELQ-HRAATJIYSA-N 440.385 4.997 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1655044450 DHMYVCGWVGDDDF-BVAGGSTKSA-N 442.607 4.939 30 10 IJEE C[C@@H](CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)OC(C)(C)C 1658936634 AADHEIUDOLXEKN-INIZCTEOSA-N 441.503 4.718 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cs1 1659322383 PVRGJLYFVCVDFL-OAQYLSRUSA-N 440.956 4.518 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1cc(C)cc(NC(=O)OC(C)(C)C)c1 1668996579 PMJCLFUNVMEAMF-UHFFFAOYSA-N 427.476 4.815 30 10 IJEE Cc1cc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1C(=O)OC(C)(C)C 1669918203 DPLQLYSNNIQJKF-UHFFFAOYSA-N 434.540 4.613 30 10 IJEE COc1cc([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)ccc1OCc1ccccc1 1677342433 ALVAKJMSPVXDJG-LJQANCHMSA-N 429.520 4.749 30 10 IJEE C#CCN(C(=O)NCCc1ccccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1677866713 KMGVOSQYVCZTPD-IBGZPJMESA-N 447.760 4.814 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1679223020 LGNDWHFMTZTCDM-FCHUYYIVSA-N 436.552 4.518 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 1680893342 TVMWFRGZPFUVKK-UKILVPOCSA-N 432.564 4.834 30 10 IJEE N#Cc1ccc(CNC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1F 1682015463 FRJXSZHTOGDIPY-QGZVFWFLSA-N 434.334 4.536 30 10 IJEE C#C[C@@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)c1ccc(F)cc1 1683498556 SXUSHWJMJWGTHJ-HXUWFJFHSA-N 434.421 4.592 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC[C@@H]1CCCCO1 1689839253 FCCAYHYKILAJSO-RTWAWAEBSA-N 448.567 4.924 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCC[C@H](COC)C1 1689919685 WTQGFWLAOYFEOV-NRFANRHFSA-N 448.567 4.783 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C)s1 1690032898 LSSLHTIAKHVZLP-SFHVURJKSA-N 438.984 4.953 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1oc(CC)nc1C 1690037020 JFUZIHLNCHQHDG-UHFFFAOYSA-N 447.608 4.646 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1cn2ccc(C)cc2n1 1690090842 AAGOJRJXUVEFOO-UHFFFAOYSA-N 444.558 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1csc2ccccc12 1690257426 IYRHNIAKJDPDNO-HSZRJFAPSA-N 426.586 4.596 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@H]1C 1690302820 MFNXAGAKJWXISP-HUUCEWRRSA-N 437.357 4.674 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C(C)C)C(C)C)CC1 1690413408 RRTPMBXPVSUUCQ-UHFFFAOYSA-N 430.666 4.545 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1 1690444797 MFISMKPDVACPKC-HXUWFJFHSA-N 436.991 4.575 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCN1CCC(C)CC1 1690519488 LEGGMKRHIGYZDZ-UHFFFAOYSA-N 446.437 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(OC(C)(C)C)nc1 1690519700 URCGPALUIPGWPS-UHFFFAOYSA-N 429.927 4.980 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690572295 YJKLVKRJMGIRCU-CPJSRVTESA-N 442.579 4.537 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCSC1 1692821657 FGDSTJZXHYYPSU-FUHWJXTLSA-N 446.020 4.955 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1692879551 HZJHKUCDIDLRJD-AEFFLSMTSA-N 444.352 4.834 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1cccs1 1698344641 GXHITDYOBPGORG-JKSUJKDBSA-N 427.599 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCc2cccnc21 1705479293 HAOINPWTTBYCCW-LPHOPBHVSA-N 437.494 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1C[C@@H](C)O[C@H](C)C1 1705484460 PDAJQGSWNMFAEJ-RRFJBIMHSA-N 449.368 4.508 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705543852 VGTHBDRFJSVOSH-DNQXCXABSA-N 449.643 4.670 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@H]1C(C)C 1705611948 UAVFJZAYEXUPLY-REWPJTCUSA-N 433.556 4.511 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@](C)(O)CCC(C)C 1705625620 QUNMPMHUHZBLJS-VWLOTQADSA-N 426.580 4.902 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)c1nccs1 1705721570 JLFNHQKDLUGSDT-AWEZNQCLSA-N 432.391 4.980 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1705783301 AXLLLOWQFOUROF-JOCHJYFZSA-N 439.604 4.775 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)C2CCCCC2)CC1 1705784482 XJOKDFQIZKKLMR-SANMLTNESA-N 438.616 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705790277 PBSNCYCNSGFCPX-SBUREZEXSA-N 430.980 4.585 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705815181 NSXILDZWUYBEMB-UHFFFAOYSA-N 446.599 4.543 30 10 IJEE C=CCCCn1c(-c2cnccn2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1705816679 OWMGDJZKJUSMDR-UHFFFAOYSA-N 432.572 4.689 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCCCCC2)nc1 1705874544 PROXDARIRUZOJS-QFIPXVFZSA-N 436.604 4.522 30 10 IJEE C[C@@H]1CC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 1707989843 CLLSHSYNXAIQLV-XXXKQHFZSA-N 443.636 4.530 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)CC#N 1709643077 CDKWFBHZYSBIGS-GGAORHGYSA-N 447.631 4.674 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1710019551 HBAPHVWUSPDCCN-DYESRHJHSA-N 440.592 4.825 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)N(CC)CC 1722407130 ZKDTUIAQZDEUAB-FQEVSTJZSA-N 425.964 4.734 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(CCOC)CC(C)C 1722495771 TYPRTFLUOIUVLG-NFBKMPQASA-N 438.572 4.781 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1722561988 HAEQAHGQDZJUPQ-UHFFFAOYSA-N 433.556 4.537 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@@H]2CCCCO2)CC1 1722572053 KJGVYMOIXBCTMK-IBGZPJMESA-N 428.602 4.695 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CN(C)CCC)C1 1722606979 KYGFGJFFLJKVAJ-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCOc1cccc(C(F)(F)F)n1 1722633523 ISDWGSKNVVSYOY-GOSISDBHSA-N 445.489 4.935 30 10 IJEE COC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1 1729804212 FIVGUKYTMUMZPK-INIZCTEOSA-N 427.618 4.686 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(CCC#N)CCC(C)C)ccn1 1731071411 DMMXGEZWYLFOBU-UHFFFAOYSA-N 445.596 4.748 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1740568122 BNPMPFFMAAJSGW-UHFFFAOYSA-N 447.627 4.540 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1740583286 YFBJQPPYHBLUQC-UHFFFAOYSA-N 444.764 4.806 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1nccs1 1740650179 RKYGGLKQZGQHHP-IBGZPJMESA-N 431.609 4.966 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1C(C)C 1740765891 DPVLUQLQNTWWKG-RFWXGWTQSA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(c2ccccc2OC)C1 1740769457 LTBHOECQGXIPKB-FQEVSTJZSA-N 435.572 4.784 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)S[C@H](C)C1 1740885064 VXEDHXFEZYFAHK-HDICACEKSA-N 439.585 4.523 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1740912662 NODPBFZLNNHYRH-UHFFFAOYSA-N 428.631 4.591 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(CCOC)CCC1 1748642422 OKVKBFFWMBIGKM-ROUUACIJSA-N 430.980 4.736 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1csc(C(C)(C)C)n1 1748779424 JJHRYOVAKOMIHE-UHFFFAOYSA-N 444.004 4.673 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@H](C)C1 1748828777 LNKCGVCHHAHFSQ-AZUAARDMSA-N 429.593 4.886 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)CC=C 1748835456 CZTSVYXNBODHIB-UHFFFAOYSA-N 429.337 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CC[C@@H](C)C1 1748867252 DLGHSAYNYHJGEP-FSSWDIPSSA-N 434.584 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](CC)N1CCCC1 1749080482 OEXKINPGRQZJNQ-PXDATVDWSA-N 437.657 4.745 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749415465 QNTQQWLRCFQTSE-KRWDZBQOSA-N 449.624 4.833 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)c1nccs1 1749559926 CHCCBIOAJUFAKA-GOSISDBHSA-N 436.585 4.586 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cccc(C(F)(F)F)n1 1749585937 HCCROMJUJLBEOA-UHFFFAOYSA-N 433.478 4.866 30 10 IJEE C=CCOc1ccccc1Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(C)(C)C 1749688997 CEYYDLHDNGPGKF-SFHVURJKSA-N 428.487 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760101502 QNRLGVUYPAXRMD-XKGZKEIXSA-N 445.405 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCCc1ccnc(C(C)(C)C)n1 1760108530 GWDMZOZNKNUJLU-QGZVFWFLSA-N 436.991 4.777 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCCN1CCCC[C@@H]1C 1760125390 YUJUMRAPDNJKBE-UXHICEINSA-N 444.023 4.623 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1760149222 AXENPTKUKATGEZ-UHFFFAOYSA-N 429.355 4.703 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC1CCN(CC(F)(F)F)CC1 1760332979 STSCKQGJCZZKJS-UHFFFAOYSA-N 435.538 4.930 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCCCO2)CC1 1760399557 QQQGPRJUZDOABD-KRWDZBQOSA-N 449.368 4.818 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OCC=C)C1 1760423118 RKXQUEBEOZEABG-OAHLLOKOSA-N 437.407 4.907 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCC(C)(C)C1)C1CC1 1760471364 TZVZIRBWCQLCSI-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760479204 HUMSZRLZVFDDNX-OYRHEFFESA-N 446.643 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCn1cncn1 1760486014 ZXTOAPFGJYLCRJ-UHFFFAOYSA-N 447.612 4.788 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CC 1760498426 QYDJFQAWPJTCDH-XLGIIRLISA-N 440.632 4.593 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1760510505 ASTUIZFGYWPTEC-XUVXKRRUSA-N 429.609 4.738 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC=C(Br)C1 1760532036 JBBKZDLWHTVCRM-MRXNPFEDSA-N 431.378 4.894 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H](C)c2ccccc2)C1 1760546872 XYYVHOFOIWPHII-GCJKJVERSA-N 437.613 4.609 30 10 IJEE COc1ccccc1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1768950470 CGMPFIFQELTROL-IAGOWNOFSA-N 435.597 4.927 30 10 IJEE Cc1nc(N2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)nc(O)c1-c1cccc(Cl)c1 1858555494 SEFYWYBIVXBJDO-UHFFFAOYSA-N 447.926 4.538 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N[C@H](CCSC)c2nc3ccccc3n2C)c1C 1860322280 HNSSVAAHUYIMTG-OAQYLSRUSA-N 439.629 4.506 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)Cc1cc(OC)ccc1Cl)[C@@H](C)CC 1860982608 MDUPEHYBMLCQFS-HTAPYJJXSA-N 425.013 4.899 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(OC)cc1 1861365151 YLQGMQODWKCUNL-HSZRJFAPSA-N 428.548 4.652 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)CCCOc1ccccc1C 1861708410 QFPOQHNRAVXWQY-NRFANRHFSA-N 436.662 4.869 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)c1c(F)cccc1Cl 1862305254 ZUQRSIZPBUDDKZ-HXUWFJFHSA-N 446.975 4.712 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1862433088 UVOIQDJCPGLOIE-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1F 1862470698 UFCDXPNKLJVYAS-KRWDZBQOSA-N 436.252 4.716 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2F)cc1 1862556328 UAXDRIZCOWGNCQ-NPMXOYFQSA-N 446.478 4.756 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1CCc1cccs1 1862625735 MSDMMNLVMRMKMD-QFIPXVFZSA-N 447.512 4.606 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862663650 BKTPAHSWWJUIPR-VWNXMTODSA-N 449.547 4.966 30 10 IJEE C=CCNC1=C(c2c[nH]c3ccccc23)C(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863823971 ZGKPXZDFDFEKTF-ZCZKMIILSA-N 429.564 4.628 30 10 IJEE CCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)cc1 1866685854 RVNWVUJQHJKLFJ-YNZBZNKJSA-N 437.543 4.890 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)c1ccccc1 1868905360 DTWICMHTFLBRCR-XMMPIXPASA-N 445.588 4.801 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)c1c(F)cccc1Cl 1870161057 YAEWUBHWCKBIJW-UHFFFAOYSA-N 447.857 4.763 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN(CCO)CCCC)cc1=O 1870414387 NLJYRADJHPWPSP-UHFFFAOYSA-N 446.607 4.979 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1cccc(F)c1 1871134593 HFRJLCMEDSSBIO-UHFFFAOYSA-N 445.579 4.865 30 10 IJEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(CCc2cnc[nH]2)CO1 1871347457 ZWHQIXWOEUMZCQ-ZBKNUEDVSA-N 442.302 4.727 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1OC 1871367550 QNAKPTWLGWNODM-OYKKKHCWSA-N 448.446 4.997 30 10 IJEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871369852 HWKGYONGQSIRRT-OYKKKHCWSA-N 443.499 4.970 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)ccc2C1=O 1871400995 RBXUPIFSPIOYFG-KSJDGYIASA-N 433.435 4.857 30 10 IJEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701945 LUQAKKPQXLLLHY-UHFFFAOYSA-N 438.624 4.734 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 1871989499 VVKYNJJNTHATMC-QFIPXVFZSA-N 446.638 4.631 30 10 IJEE C=CCN1C(=O)C(Nc2cccc3ccccc23)=C(c2cccc(Br)c2)C1=O 1873228394 NWZKYQAKBKJGKY-UHFFFAOYSA-N 433.305 4.980 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873309794 PORBGDTVCLCTNO-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N(CC)CCCC)ncnc21 1873595126 PJZZYPZEGYDAIL-UHFFFAOYSA-N 425.964 4.827 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cn(C)c2ccccc12 1874241363 CLZBODSPUDOAJK-MFKUBSTISA-N 447.564 4.908 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2Cl)o1 1874460043 HUUKJNWONIGTON-GZIVZEMBSA-N 444.822 4.504 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 1874608799 IAUWRHMSTCBUOW-WUXMJOGZSA-N 446.341 4.601 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1 1874701317 MCJHXKZIUHAVCX-OQLLNIDSSA-N 432.472 4.974 30 10 IJEE C#Cc1ccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1 1894493058 UTGVINWQIDLMIJ-JWQCQUIFSA-N 437.495 4.717 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922073797 HOUPRZPDCLTUMV-XZOQPEGZSA-N 426.557 4.818 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1(C)C 1981684293 DOZZOMQCHCRICO-YJYMSZOUSA-N 435.487 4.619 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(=O)c1c(C)nn2c3ccccc3n(C)c12 2040488147 LQOXCMKIBFWUKD-UHFFFAOYSA-N 427.483 4.972 30 10 IJEE CCc1nn([C@@H](c2ccc(C)cc2O)C(C)(C)C)c(I)c1/C=N/O 2079140076 GKNXFGKFOAMUJC-UWSDUSPXSA-N 441.313 4.508 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CO)c1Br 2079844657 OBCARXPUNKCFEP-ZCFIWIBFSA-N 435.137 4.924 30 10 IJEE CC(=O)Oc1ccc([C@@H](n2nc(C3CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080070312 CGAOOKKDNKGADQ-GOSISDBHSA-N 432.318 4.646 30 10 IJEE CCOc1ccc([C@H](CC)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2080107328 MPRUSMHLAYSIKP-ZDUSSCGKSA-N 449.214 4.776 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1F 2080128145 ZAQZIHZOAJGBLR-HNNXBMFYSA-N 432.240 4.929 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441444 CWEBBWAAMMISFZ-OCCSQVGLSA-N 426.330 4.955 30 10 IJEE CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2118192688 ROOPIYCQMHKLOY-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 2159128496 SCRKCVICBNRNAL-RTBURBONSA-N 441.385 4.806 30 10 IJEE C=CCC1(Nc2cc(Br)nc(C3CC3)n2)CCN(C(=O)OC(C)(C)C)CC1 2162408028 ZFROQWOWHVSAAZ-UHFFFAOYSA-N 437.382 4.874 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(C#N)cc2Br)cc1 2181145220 CZNILSDEELQWJG-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(Br)cc1C#N 2181146069 DJYZXGGZBKDEBF-INIZCTEOSA-N 438.366 4.835 30 10 IJEE CC(C)(C#CC(=O)Nc1ccc2ccccc2c1Br)NC(=O)OC(C)(C)C 2202909914 BNYJIJGZQVFGTP-UHFFFAOYSA-N 431.330 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](Oc3cc(Br)cnc3C#N)C[C@H]2C1 2204111986 BDJFEFUSPHZPMO-OFQRWUPVSA-N 436.350 4.520 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC(=O)Nc2ccc(C#N)cc2Br)CC1 2205435804 CDPCNIMOFPFPHX-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CP(C)(=O)C#C[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218397272 LGGGSHAINNIRRH-ZEQKJWHPSA-N 449.487 4.789 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2235721848 JJFMOXSWRCTSMM-CMKODMSKSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2235722514 AHMKBHXUMGUBJX-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(N)C#Cc2ccccc2Br)C1 2235724142 FYTQZZXEIUOQAO-SVMVAKDDSA-N 433.390 4.555 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCCN1C(=O)OC(C)(C)C 2235729079 MHRMETZYEMEWFH-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2235729099 NFSFYBBSFLOJKR-OALUTQOASA-N 435.406 4.814 30 10 IJEE C[C@@H]1CC[C@](O)(C(=O)C#Cc2ccccc2Br)[C@H](OCc2ccccc2)C1 2235730625 VVABCDFWFLNFTM-ZQMYSKGWSA-N 427.338 4.506 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2235736633 ZOPCPHAQNWBZQS-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241482049 ZVXMUHKLPROZSK-UHFFFAOYSA-N 433.382 4.890 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2248033500 SFMDWRYLVNAMPC-UHFFFAOYSA-N 429.728 4.607 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 2249555499 VVOAJSOFXJOGJK-ROUUACIJSA-N 427.545 4.886 30 10 IJEE COc1cc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 2296116058 SFVKVNQDHBYUPI-QFIPXVFZSA-N 449.890 4.989 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(N(C)C(=O)OC(C)(C)C)nc1 2296225070 QPVJGWCENHKCFM-GOSISDBHSA-N 430.346 4.528 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2cccc(Br)c2)CCC2(CC2)CC1 2296226154 CKZIJLRMBQDVFB-GOSISDBHSA-N 433.390 4.746 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2296265989 DFXNKUBSWYWTHW-DFQSSKMNSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@@H](O)C#Cc2ccc(Br)cc2)C12CCC2 2296285806 FIANTHHDBWVDSY-YTQUADARSA-N 434.374 4.635 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2296291615 QNNBDQCIDUSSLE-PMACEKPBSA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCC[C@H]1NC(=O)OC(C)(C)C 2296296816 RWBMQHNUZIYKEW-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2296300742 LYXSNCFLHDZURU-QUCCMNQESA-N 435.406 4.816 30 10 IJEE N#Cc1nc(CSc2cc(I)ccc2Br)cs1 2300842252 OJCPHPIXKKHEEA-UHFFFAOYSA-N 437.125 4.674 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1 2314438354 PRBATJUGFGDVRF-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1cc(CSC[C@H]2CCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2320598529 IBKVAONNLGXZSU-LJQANCHMSA-N 447.450 4.927 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)cc1OC 2321940581 UPPWATGHKOJDOX-UHFFFAOYSA-N 449.528 4.776 30 10 IJEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1cc(OC)ccc1OC 2322659394 CJLFGFXBJFONDS-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1c(Br)cc(Br)cc1C=NNc1ccc([N+](=O)[O-])cc1 2322969078 VFKOTBWGCPBEFG-UHFFFAOYSA-N 429.068 4.574 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2)c(Br)c1OCC(=O)OCC(C)C 2323127160 MYRIMPMNLYWKEZ-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323370459 JELVLAQMSSHLQD-UHFFFAOYSA-N 443.499 4.916 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)c1 2323511249 GQBCRXADFWUNNX-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCC(O)CC1 2323997399 DMTBZBQZODXNLQ-UHFFFAOYSA-N 427.500 4.632 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c1 2324825679 HBZCKZWZHUGVFM-OAHLLOKOSA-N 433.485 4.973 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O 2325743351 YJAWQCPULWXJHT-UHFFFAOYSA-N 444.325 4.621 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OCC)c1OC 2326681278 NWJXQKKGRFATNY-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)CCOc2ccccc2)c([N+](=O)[O-])c1 2331068999 DYUACDUNRCGDFV-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c(O)c1 2331150320 JDQYHYKNUXINSC-UHFFFAOYSA-N 428.823 4.536 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(CCOC)nnc2SCc2cccc(C)c2)cc1 2331256187 ZMPQKKITQBFIAZ-UHFFFAOYSA-N 437.613 4.796 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1c[nH]c2ccccc12 2331632474 WSAOAZRISJDOHU-UHFFFAOYSA-N 446.580 4.942 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2334271601 QVDFYRIBGYWWLL-QASJRYCWSA-N 439.405 4.701 30 10 IJEE C=CC[C@@H](Oc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCN1C(=O)OC(C)(C)C 2335889213 WHEIQBFTRKRGSZ-UKRRQHHQSA-N 427.295 4.690 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339593544 HMFJOPLURKLUGE-MOPGFXCFSA-N 444.381 4.798 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(c3c(Br)cccc3C#N)C1)C2 2359470518 MOIKKHJPBCFFAI-BTYIYWSLSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@H](N)C#Cc3cccc(Br)c3)C[C@@H]21 2360195981 HCZBSASKJLQASN-CUDHKJQZSA-N 433.390 4.554 30 10 IJEE Cc1ccc(-n2c(=O)c3ccccc3n3c(SCc4cccc(C#N)c4)nnc23)c(C)c1 9500564 PQHJFSSNIPNNOV-UHFFFAOYSA-N 437.528 4.814 30 10 IJEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1)c1ccccc1 20835219 XCSFVTJQRYAPSO-LGJNPRDNSA-N 448.474 4.781 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN(CC)CC)cc1 35486161 HNQWNIXLACIEIQ-DEOSSOPVSA-N 446.547 4.553 30 10 IJEE C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N(C)Cc2ccco2)c1 37600372 DIGQNDRQFRIBSJ-UHFFFAOYSA-N 435.499 4.522 30 10 IJEE CN/C(=N\c1cccc(C(F)(F)F)c1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 59446353 RJSHUYITGANSBX-HNNXBMFYSA-N 441.862 4.631 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(CCC#N)C2)sc(C)c1-c1ccc(F)cc1 62039382 VOHLPJIBLLSOCV-QGZVFWFLSA-N 443.544 4.604 30 10 IJEE C=C(/C=C/C(=C/C)N1N=C(C)/C(=C/c2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)C1=O)CC 98064442 DZVYXLGRIWUMJA-QUHCNVHISA-N 441.487 4.858 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccccn2)c1 169937508 IJIYEOAFPJKRSK-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1F 169975750 DPGVPQDHUQAFLY-JOCHJYFZSA-N 438.543 4.572 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)s1 169988446 LAFJFZYFDMPHEL-MRXNPFEDSA-N 432.473 4.883 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccn1 169994000 LMJLFOZQEMOVFH-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 170005492 HVPOVRZNSYTVAA-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170054110 PPEBOIVIGVLDJK-HSZRJFAPSA-N 431.463 4.655 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1c[nH]c2ccccc12 170074972 BUXFVGIJRXTQGG-RUZDIDTESA-N 438.483 4.975 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccco2)cc1 170091765 FAHVOUJBZXIHNE-JOCHJYFZSA-N 433.460 4.642 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccncc1 170200596 BUALXUFZOXCHPT-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)c1 170218845 JMUFDJJMCCJXQB-FYSMJZIKSA-N 447.531 4.930 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2)cc1 170224430 GLVKTUCYYRKWAB-XMMPIXPASA-N 425.484 4.967 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1C 170230196 GFAOHRKOGSSULJ-NZQKXSOJSA-N 435.520 4.541 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1 170235565 GCOLREVYSYCVMD-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCN(C)C)cc1 170244977 QLAWIYRFKIQJHY-NRFANRHFSA-N 426.944 4.603 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccc(CC)cc1 170267895 SUJITUZOBIUQQN-NRFANRHFSA-N 443.927 4.908 30 10 IJEE CCCOc1ccccc1C=NNc1nnc(C)c(NN=Cc2ccccc2OCCC)n1 254647206 WBVAPATYIIWALV-UHFFFAOYSA-N 447.543 4.650 30 10 IJEE CCCCNC(=O)CSc1nc2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2s1 254809118 XDCWGMKHZANWOD-UHFFFAOYSA-N 444.538 4.669 30 10 IJEE C=CCCCN(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 482100415 YJZKNAKSJAITPO-UHFFFAOYSA-N 430.961 4.757 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc([C@@H](C)OC)nc1C 487758108 WWZPITZXKDVIJR-GFCCVEGCSA-N 427.339 4.889 30 10 IJEE Cc1cc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)nn1-c1cccc(C#N)c1 512367708 TWFSVWXDXHXZMU-JOCHJYFZSA-N 442.416 4.782 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 514878776 ZWHLOYOIDSFYNC-INIZCTEOSA-N 446.477 4.585 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 526485268 DJEOBIWPDQIMPQ-JOCHJYFZSA-N 427.416 4.532 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2C)c(Br)c1O 526810980 WVOHKXCUQOVQCZ-AFPJDJCSSA-N 447.358 4.546 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 563845959 WUVLVXJQVOOVRL-JOCHJYFZSA-N 439.567 4.596 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 581501545 BVSGTOQJTNFZFQ-XXBNENTESA-N 436.531 4.677 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC[C@H](CCOC)C1 584808083 WTWJJRCQIINUKO-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE CCCOc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CCCc3ccc(C)cc3)CCN2)cc1 585840749 RNEMLCKXZNGIGG-PXYSRINZSA-N 448.607 4.626 30 10 IJEE C=CCCN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 586206741 YRSZZSRIFNSYEF-UHFFFAOYSA-N 435.387 4.821 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)cc1OC 586225879 PALYSQODZKUJNH-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE Cc1nc(C2(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)CCCCCC2)no1 609641902 GAFQMAABAIBRTQ-UHFFFAOYSA-N 430.508 4.808 30 10 IJEE CCc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2oc3ccccc3c2C)c1 734297041 YQGXWLTXPWXZIP-NRFANRHFSA-N 435.549 4.571 30 10 IJEE COc1cc(C(=O)OCc2cc(Cl)ccc2OCC#N)ccc1OCc1cscn1 735340430 GYPIWXWPMVQIRQ-UHFFFAOYSA-N 444.896 4.643 30 10 IJEE N#CCCSc1ccccc1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740506425 ALAIWLQKIXCHOT-UHFFFAOYSA-N 446.557 4.547 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760965362 JGDKMTPCFFWGHU-FYYLOGMGSA-N 445.563 4.519 30 10 IJEE C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1cc2c(cc1Br)OCCO2 775182756 BIAKWKGKPBECFC-GFCCVEGCSA-N 437.721 4.627 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)NC(C1CC1)C1CC1)=C(/O)c1ccc(C#N)cc1 777514644 HFHLSPCVABZGFG-UHFFFAOYSA-O 440.976 4.503 30 10 IJEE CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=Nc2ccc(Cl)cc2)S1 1084576294 XPYINKMNDOUQCC-KRWDZBQOSA-N 436.364 4.651 30 10 IJEE C=CC[C@]1(C(=O)OCc2ccn(-c3ccc(F)cc3F)n2)CCCN1C(=O)OC(C)(C)C 1128573159 GMRJPSFKDZOKGF-HSZRJFAPSA-N 447.482 4.540 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc(C)c2I)cc(OC)c1OC 1135109524 OBXGDBKEEHYIRK-UHFFFAOYSA-N 437.277 4.598 30 10 IJEE C#C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(Br)cc1 1141460879 JEWTYONFXPXUNU-OAHLLOKOSA-N 432.115 4.797 30 10 IJEE N#Cc1ccncc1N1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 1141568521 DWJJNZWHMLKRDR-UHFFFAOYSA-N 442.485 4.523 30 10 IJEE C=CCn1c(SCC[C@@H]2Sc3ccccc3NC2=O)nnc1-c1cccc(OC)c1 1165781757 ISJMGLINMNEFCU-IBGZPJMESA-N 438.578 4.735 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc(OC)c1OC 1186106743 PSTMREOYNNWCGG-UHFFFAOYSA-N 449.878 4.583 30 10 IJEE N#Cc1ccc(NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1C(F)(F)F 1201170316 AUPJRJRZJFSNLD-UHFFFAOYSA-N 445.441 4.982 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3CCCN(CC4CC4)C3)c2)cc1 1214718887 DTNPSFGIQBMPTM-QHCPKHFHSA-N 432.568 4.575 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1230908466 WQJPNGHMJIVMLH-RPVQJOFSSA-N 438.412 4.889 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C 1264863794 MDBIWMKGZWOVAW-UHFFFAOYSA-N 443.450 4.753 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NC3(c4cc(C(F)(F)F)ccc4Cl)CC3)cc2C1=O 1271587485 HWWPXLNKQNWLCB-UHFFFAOYSA-N 448.828 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1ccnc(SCC)c1 1286290096 OEGQUQRMXGMRRS-KRWDZBQOSA-N 428.565 4.507 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cnn(CC)c1 1286317901 VFSAFTVAHMXAAS-SFHVURJKSA-N 436.629 4.788 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1286325009 UHTDXCNDEJHBKK-KRWDZBQOSA-N 436.526 4.727 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1286342874 FRUPWNGCQZYBBB-UHFFFAOYSA-N 429.524 4.984 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1286356555 JMQPIZNLVWUFCB-DENIHFKCSA-N 447.410 4.907 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1286525266 OPMPAPBRDRLLCT-DNRQZRRGSA-N 439.673 4.681 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)CCc1ccccc1OC 1286543637 AHUURUAEDGHUJJ-UHFFFAOYSA-N 447.402 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CCSCC 1286552297 PKOXNOMUSVQIFT-QIJUGHKUSA-N 439.629 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(OC)cc1C(F)(F)F 1286571006 GWMDEAGNNNYFKE-UHFFFAOYSA-N 433.478 4.762 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1286639957 DXMFKCNBZLFZPE-ICSRJNTNSA-N 432.515 4.764 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCO[C@H]2CCOC2)CC1 1286651239 XQSLADSPRVFFSM-IBGZPJMESA-N 449.020 4.576 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286668001 OLOATEAEVPMURQ-CEMLEFRQSA-N 426.605 4.662 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286668714 VRMULNPLOMBDSJ-QFIPXVFZSA-N 437.632 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CCCO)CC1 1286670521 IWNPBTSSFLBWLN-UHFFFAOYSA-N 448.615 4.722 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286675193 NDQOZJDTBXQEFW-YADHBBJMSA-N 437.632 4.749 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286694119 LQNOVUULCLWFOC-UHFFFAOYSA-N 448.615 4.827 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1286700692 QEAOEGQULRKVAL-UHFFFAOYSA-N 439.604 4.538 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C(C)(C)C1 1286701515 XDVUIKINEWNPPI-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCOc1c(C)cccc1C 1286748811 BYGWAHRUKOQVOG-FQEVSTJZSA-N 438.597 4.732 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1286771308 INXYHDNCTRDZDB-HSZRJFAPSA-N 428.602 4.652 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCc1nccs1 1295784928 FRLZQXHDARMZKE-UHFFFAOYSA-N 434.594 4.646 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1300272247 AFJHNEGDADRUGB-UWJYYQICSA-N 441.501 4.934 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1c(CC)nn(C)c1CC 1300283343 SVOZWHRDNQKLRK-GOSISDBHSA-N 432.616 4.607 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCO[C@@H]1C(C)C 1300443411 GNFNLEAUMLJGMR-XMSQKQJNSA-N 438.572 4.943 30 10 IJEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1300490623 HEVVVHSAULPQBV-SIFCLUCFSA-N 437.441 4.689 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC(C)(C)N[C@H](C)c1ccccc1 1300801655 TYYQIIQFFHYIQP-JIPXPUAJSA-N 442.611 4.770 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1300876636 UTIRABAPGOYOGV-ZVDOUQERSA-N 430.618 4.630 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccco1 1300950743 NMNXUIMEAAYUEW-KRWDZBQOSA-N 429.565 4.759 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2cnc(C)s2)CC1 1301074890 OKQVBUUMGMYOLN-UHFFFAOYSA-N 439.585 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301139031 KKNSMAYRMDYSSL-SBUREZEXSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301144010 SNMMSFZWDXUBTL-VQTJNVASSA-N 448.970 4.724 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301158962 RBUKSTSYZKWZJB-MXEMCNAFSA-N 430.637 4.947 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1301186072 QTSMLYZVAYWCEY-MOPGFXCFSA-N 434.588 4.827 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2nccs2)CC1 1301207141 QURMYYOAKHEXKA-UHFFFAOYSA-N 447.406 4.842 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1301259221 ICKHZFWGEXDYFB-WIYYLYMNSA-N 430.618 4.631 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCCCC1)C1CC1 1301314445 WTGNRCLBBAMTMU-LJQANCHMSA-N 441.595 4.977 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C 1301980746 FUDZXVQZDUMETN-MSOLQXFVSA-N 432.613 4.772 30 10 IJEE C=CCCSCCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 1307162608 PPSIQJCUQAFGKA-UHFFFAOYSA-N 440.638 4.912 30 10 IJEE C=CCn1c(S[C@H]2CCCN(C(C)C)C2=O)nc2cc(-c3ccccc3)sc2c1=O 1307274930 ZJVVKXFMPHOGQO-SFHVURJKSA-N 439.606 4.803 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2c(=O)[nH]ccc2c1 1310978702 YKOCRQGBEDZUKU-UHFFFAOYSA-N 430.277 4.650 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cc(F)c(Cl)cc1I 1311058822 ZCNCEFAQQMPAPD-UHFFFAOYSA-N 444.631 4.740 30 10 IJEE C#CCN(C(=O)N[C@](C)(CC)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1311266827 AXJFXPVTJIYUPC-RHSMWYFYSA-N 433.268 4.649 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc2ccccc2c1 1312069787 BTTDAAGYRSZOJG-QHCPKHFHSA-N 444.535 4.777 30 10 IJEE C=C(CNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1)c1ccccc1 1312822349 ZFBJMNVZDZGDAO-SFHVURJKSA-N 446.332 4.579 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)c2ccc(F)cc2F)c(C(=O)OCC)c1C 1357818883 XUGYAKQAPGDVFS-LLVKDONJSA-N 437.464 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(NC(C)=O)c1 1358877448 FCZLNVFUZGJKPV-KRWDZBQOSA-N 447.608 4.740 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCN1CCCC[C@@H]1CC 1359016586 HABQBEQFMSXBPO-QHCPKHFHSA-N 425.596 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC1 1359093237 LHTCGTRGGQSLIS-MJGOQNOKSA-N 431.378 4.535 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccccc1 1359121524 SWHSPPITEOQNCQ-NRFANRHFSA-N 439.604 4.995 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1359124359 YXPOKWUJUXHQDH-JOCHJYFZSA-N 437.632 4.930 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)OCC(C)C)CC1)c1ccccc1 1359138003 HDRJGJHJOHYNMV-HXUWFJFHSA-N 439.604 4.810 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1359208530 NXIWUVUJDYCCLK-OAQYLSRUSA-N 426.630 4.889 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N1CCCCCC1)C1CC1 1359248179 CVPORBUMPZZOTQ-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2C)cn1 1359673486 CYVXOHZHHGVPSC-AVRDEDQJSA-N 429.572 4.803 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 1456305664 JGTFUKRZFMTDNU-FQEVSTJZSA-N 433.390 4.535 30 10 IJEE C=CCC(C)(C)CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 1460378213 JQYATGRGQUMNMH-UHFFFAOYSA-N 430.961 4.991 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1OC 1461093301 WNGFSDFWNVHMIN-IERDGZPVSA-N 425.411 4.623 30 10 IJEE C=CCn1cc(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Cl)c(Cl)c2)nn1 1462533917 WBYYSCLFLOUBBX-UHFFFAOYSA-N 435.286 4.975 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)CC1 1462574110 YEOKWECDWBIDNK-UMSPYCQHSA-N 446.807 4.799 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc3nc(Cl)ncc3s2)c1 1463003561 AUVOHNSEUJLWKN-UHFFFAOYSA-N 445.978 4.783 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)c(Cl)c1 1463164727 AOKFVTCJNKPIPP-FQEVSTJZSA-N 426.900 4.631 30 10 IJEE C=C[C@@H](CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1 1463954743 XKAQKKBYHVZMHB-TYSUYXETSA-N 440.952 4.852 30 10 IJEE N#Cc1cc(S(=O)(=O)NCC2(c3cccc(Cl)c3)CCC2)ccc1C(F)(F)F 1464292822 HIHKFGKMGFWGEJ-UHFFFAOYSA-N 428.863 4.631 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 1464305788 ZZNATAVLWOVBRK-KRWDZBQOSA-N 433.961 4.633 30 10 IJEE COc1ccc2ccccc2c1CCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1464471974 ABTHFNJFZRYZCV-UHFFFAOYSA-N 436.558 4.764 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(-c3ccc(Br)cc3)c(C)c2)C1 1466269270 NEWCIQWSUIMIFW-HXUWFJFHSA-N 426.358 4.644 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 1468106593 VCTIUSZSSAPURJ-WBVHZDCISA-N 445.357 4.768 30 10 IJEE CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 1469755881 FQJGKVZNPZHXJC-IECBHUPTSA-N 448.567 4.842 30 10 IJEE CN(C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1 1469883818 HGOSVQZVDGTRRJ-BHIFYINESA-N 444.501 4.789 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccc(I)cc1 1470074652 NURBOJIVWIQKKP-WMLDXEAASA-N 425.310 4.505 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](OC)C1CCCCC1 1470927525 YZYNPFJATBSLEI-IBGZPJMESA-N 427.358 4.881 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](c2ccco2)N2CCCC2)cc1 1497828729 FFVTXEOHYVAUMK-SIKLNZKXSA-N 432.572 4.676 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)cs1 1503921221 ASJRHWGEOIDBCL-STQMWFEESA-N 448.955 4.546 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2cc(F)cc(F)c2C1 1507571845 OWBRLFQEMGHBGG-DENIHFKCSA-N 442.554 4.841 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@@H](C)N1CCCCC1 1507603959 GKIBZBQTAGYLDE-LJQANCHMSA-N 448.640 4.711 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507702883 XNPBJMVGUCZEDE-QRICJDHISA-N 440.563 4.502 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(c2nc(C)no2)CC1 1507957229 WTFZRUGTBRSYKW-UHFFFAOYSA-N 436.560 4.516 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](C)[C@@H]1C 1507962370 RDTLJVVWRUWEJI-ROUUACIJSA-N 439.585 4.523 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1507996405 HIXGYZQSMKKTGM-UHFFFAOYSA-N 448.615 4.577 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC)(CC)C1 1508159051 QAVQOJNPADJKOF-UHFFFAOYSA-N 428.602 4.652 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)c2ccc(Br)cn2)s1 1516183748 HNEFNPLJSSRTED-UHFFFAOYSA-N 432.796 4.659 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(-c4ccc(Cl)cc4)cc3F)CC2=O)cc1 1517544026 HTPISIKZBJAYCW-HXUWFJFHSA-N 447.897 4.687 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cc1cc(C)n(-c2ccccc2)c1C 1525055565 CUSCWMGYTGVSHC-UHFFFAOYSA-N 433.504 4.766 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1526452541 NRLBHMWVWSJJMI-FQEVSTJZSA-N 432.973 4.562 30 10 IJEE C#Cc1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 1526683694 JAMGBAADAUCGTF-UHFFFAOYSA-N 448.935 4.571 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 1526902971 BVFRQBFFKRHJTI-UHFFFAOYSA-N 436.397 4.509 30 10 IJEE C=CC[C@@H](C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1)c1ccccc1 1529561950 YMARBXPLMCCCRJ-QHAWAJNXSA-N 442.353 4.524 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(Cl)c(I)c2)c(OC)c1 1529604659 QAXKPJOHOOAMGR-UHFFFAOYSA-N 428.653 4.901 30 10 IJEE Cc1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2ccc(C#N)cc2)c(Br)c1 1530935993 DTMAGCNDOCEDLW-OAQYLSRUSA-N 441.369 4.770 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3cc(Cl)ccc3n2CC)CCCN1C(=O)OC(C)(C)C 1535170219 LTWPNQUITQHJFI-JOCHJYFZSA-N 432.952 4.994 30 10 IJEE COc1ccc([C@@H](NC(=O)c2csc(C#N)c2)c2ccccc2)cc1Br 1537376507 GCFUMZZLRYPNJD-IBGZPJMESA-N 427.323 4.910 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H]1CCCOC1 1539051690 DYEBLMNJULOBKX-OALUTQOASA-N 426.630 4.798 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1539124297 DJPJWTQSCRDRSS-UHFFFAOYSA-N 439.007 4.874 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(OC)CCCC1 1539539056 OFWGMUOFXOQTPY-SQJMNOBHSA-N 436.600 4.986 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1ccco1 1539600756 SKXLOLAOCIQSGY-KRWDZBQOSA-N 443.345 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1Cc2ccc(Br)cc2C1 1539616638 RSOQSBIOIGBZQD-LPHOPBHVSA-N 431.378 4.665 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 1539623277 LRXAJLYRIOFDTJ-TZIWHRDSSA-N 444.023 4.500 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 1539644822 CMYBHDXKVLXFHI-QJWGWKRISA-N 444.553 4.501 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1539898045 OAGSWQXBCDHQBG-XMMPIXPASA-N 445.007 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1539926336 MSWSYADGKPELOJ-YADHBBJMSA-N 439.648 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccccc3)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1539928835 JAPNHAWVSXZUQN-YBXDKENTSA-N 438.616 4.915 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCO[C@@H]1CCCC[C@H]1C)C1CC1 1540099444 ZJJSDWFWCLXXLT-DNVCBOLYSA-N 448.409 4.786 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@@H](C)[C@H]1C 1540880926 UEIOFKQFJIJKBT-MOPGFXCFSA-N 435.597 4.592 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540909471 IFYNWFKVAMBFAB-YADHBBJMSA-N 436.629 4.814 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC=C(C(C)(C)C)CC1 1540918464 RFEQILRFIJQELS-UHFFFAOYSA-N 426.630 4.979 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)c(C)o1 1542137737 FBHGOQOEQNKEOA-NVQXNPDNSA-N 447.583 4.807 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@H]2CCCC[C@H]2C)cc1C 1542449843 ACKAVBZKKGQAIG-XQFWAAQXSA-N 439.604 4.665 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)C1 1543596626 HLASKWOEHDQOIS-QHAWAJNXSA-N 446.599 4.975 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCc2sccc2C1 1545719354 FOVBPKDGWUFMQF-SIKLNZKXSA-N 448.640 4.536 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cn(C)nc1C 1557449641 YIOVWKIZYTVDDB-HSZRJFAPSA-N 444.535 4.541 30 10 IJEE C=C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)C[C@@H](C)C2 1557622562 NKEFFKQXZNJUKX-GPLMZXIKSA-N 441.575 4.700 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2c2ccc(Br)cn2)c1 1562320213 GAWKKSJERWKXCJ-HNNXBMFYSA-N 437.244 4.686 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 1562840579 ADBVVLCYICHLMA-UHFFFAOYSA-N 442.800 4.603 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 1564840730 ZNRPSDUPGGLORJ-UHFFFAOYSA-N 431.323 4.591 30 10 IJEE C#CCN(C)CCCNC(=O)NCc1ccc(Cl)cc1Oc1ccc(Cl)c(C)c1 1564847805 SZPYTUWUIZQUQS-UHFFFAOYSA-N 434.367 4.848 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)c1 1566135269 YACPRSVNTNSOTN-HXUWFJFHSA-N 431.557 4.984 30 10 IJEE C=CCC1(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)CCOCC1 1587256322 HYYNZNPJRMKEDF-GOSISDBHSA-N 432.914 4.754 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1587941430 AGSOQBCTSJFIEW-QFQXNSOFSA-N 439.559 4.635 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC)cc1 1589556904 FNWSNTYZPRBZSQ-NFBKMPQASA-N 438.597 4.557 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCCC2)CC1 1594634530 NDDUFJKMMKUJFZ-UHFFFAOYSA-N 429.559 4.568 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1594687240 JKQIKBUVOWGSJS-WOJBJXKFSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1594693261 VUQYLPSMNGGEGT-UHFFFAOYSA-N 443.546 4.702 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1594913690 MNQNFTFPGARART-VQIMIIECSA-N 445.995 4.866 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(F)(F)Br)C1CC1 1595026513 NEAJMFBGJSFBJG-LBPRGKRZSA-N 445.283 4.700 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCC1CCC(OC)CC1 1595165761 LVJGNOJGEITVAF-GZNCHQMQSA-N 430.618 4.979 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(C)s2)C1 1595680174 HQHFANKNSLGUTI-QZTJIDSGSA-N 442.560 4.757 30 10 IJEE C=C[C@H](C)NC(=O)c1csc(-c2cccc(S(=O)(=O)NC3CCCCCCC3)c2)n1 1595937566 HTOHFABVTATJHI-INIZCTEOSA-N 447.626 4.506 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1c2ccccc2C(=O)OC1(C)C 1596886477 MBNCFFWTEFNMNJ-GOSISDBHSA-N 430.298 4.685 30 10 IJEE Cc1ccc(-c2nc(CCn3c(-c4cccc(C)n4)nnc3N(C)[C@@H](C)CC#N)co2)cc1 1612008323 BLKKVGOGGUHANS-IBGZPJMESA-N 441.539 4.593 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 1623432093 CZDYTSHBOSQCRM-MRXNPFEDSA-N 444.881 4.771 30 10 IJEE C=CC1CCN(C(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1629117085 FMMPTGAJRWHIOT-HXUWFJFHSA-N 432.564 4.976 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 1629760084 MYKSTSUMFZRXKF-FQEVSTJZSA-N 446.638 4.666 30 10 IJEE C=C(C)[C@@H](NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1634453104 GYWGBMNUXAKQIN-HNAYVOBHSA-N 428.545 4.735 30 10 IJEE CC[C@@H](CO)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C1CCC(C(C)(C)C)CC1 1647855989 AGGOQQDKXHRLLK-XLCOUGHXSA-N 448.611 4.901 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)s1 1647924892 QCMIHOLMJNMZRI-UHFFFAOYSA-N 447.029 4.813 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 1651284523 FLSAJLCPXQNZDR-UHFFFAOYSA-N 429.467 4.777 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1ccccc1C(F)(F)F 1654808596 CHUWZWNTFQUMPN-YOEHRIQHSA-N 446.391 4.878 30 10 IJEE CN1CC[C@@H](CNCc2cc(C#N)ccc2Br)[C@@H]1c1ccc(Cl)c(F)c1 1656020597 FDLNKGWQVYHYFR-YWZLYKJASA-N 436.756 4.896 30 10 IJEE Cc1c(C#N)c(SC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)nc2c1CCC2 1656127129 GEDPEKTVJXNACM-KRWDZBQOSA-N 443.613 4.649 30 10 IJEE COC(=O)C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(C)C)c1ccc2ccccc2c1 1667785727 HLDSRLJNGXILSO-NRFANRHFSA-N 431.492 4.925 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)c1ccc(Br)cc1 1667980912 MRTWBPSSMYKJQK-FQEVSTJZSA-N 429.358 4.938 30 10 IJEE CN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1668478480 BJGIDEJIJZXHNU-UHFFFAOYSA-N 429.524 4.778 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 1669020267 YGGXCJWWVAKRBA-QGZVFWFLSA-N 430.348 4.820 30 10 IJEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1669147551 DGIRHGDSRQMQFJ-IBGZPJMESA-N 449.532 4.725 30 10 IJEE CCCc1c(NC(=O)N2CCN([C@H](C)c3ccccc3)CC2)cnn1-c1cccc(C#N)c1 1670352046 HDCXXEKRTFDDTB-HXUWFJFHSA-N 442.567 4.607 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(N2CCN3CCC[C@H]3C2)cc1)c1ccc(F)c(F)c1 1674120355 YTALZLNVYDNUOF-NZQKXSOJSA-N 426.511 4.688 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(Cc4ccc(C)nc4)C[C@@H]3[C@H](C)CC)cc2n1 1675013071 QLZUJAKXOFPFTA-KBMIEXCESA-N 446.599 4.690 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCC1(c2ccc(Br)cc2)CCC1 1675691364 TZWMBZJFJQSVLZ-UHFFFAOYSA-N 429.358 4.935 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)cc1 1679826143 IQQWICVLTQQCFJ-YLJYHZDGSA-N 433.886 4.584 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 1683502230 HMOXJNPLJOSCEM-TZIWHRDSSA-N 445.991 4.693 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[C@@H]2CC)c1 1689868348 DICFCTWCGWJKEQ-LEWJYISDSA-N 445.567 4.729 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCCSCC 1690088301 HWWGJALLXYTVCM-UHFFFAOYSA-N 443.979 4.916 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccsc1 1690163850 TVPDDHSINXECIQ-UHFFFAOYSA-N 433.002 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCCN(C(C)C)C1 1690193389 KPKOWGORBFALEB-RWCIVJTCSA-N 433.644 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1nccc(C(F)F)n1 1690198461 OTRZCGFGKOMPIO-OAQYLSRUSA-N 446.864 4.506 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)CCC 1690238981 PXJMZPYZLZWYIS-IEBWSBKVSA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC(C)(C)C1 1690254533 CJYMMCSOYAUGDE-MXEMCNAFSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1noc2c1CCCC2 1690256614 QLNQOERPRVUWFV-KRWDZBQOSA-N 439.535 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC[C@](C)(CC)O1 1690259655 RKKUYKMVXIOXAL-DVECYGJZSA-N 428.577 4.712 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1690273124 HXHQRMGFRNMBOS-DYESRHJHSA-N 448.398 4.743 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCNc2ncc(Cl)cc2Cl)CC1 1690408288 CPCQUYLVKHIMSN-UHFFFAOYSA-N 444.370 4.556 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2csc(C)n2)CC1 1690412442 QMGZGVBRMHEZKR-UHFFFAOYSA-N 429.540 4.557 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCCCCC2)C1 1690419073 GPQWSRFEFVKECG-UHFFFAOYSA-N 445.652 4.728 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC(C)(C)C1 1690455294 GVBNEAYPYUKCPE-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690455784 OJBPLIGSWFVSDL-GOSISDBHSA-N 429.996 4.648 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1[C@H]2CCC[C@H]12 1690462355 DYMRORBWMJOISQ-AABGKKOBSA-N 443.636 4.984 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1690472055 BUTYRXQGVYZMBS-IBGZPJMESA-N 445.405 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCN1CCC[C@@H](C)C1 1690569862 OEGTWYCCSINUOE-NFBKMPQASA-N 441.595 4.583 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(C#N)o1 1690600751 CGHUZUSXCMQSCL-UHFFFAOYSA-N 444.322 4.855 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1690611725 XNWKXZZSXVXLRL-VXKWHMMOSA-N 426.605 4.691 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCSCC=C)C1 1690689474 DXYZTQLVFCPZSE-IBGZPJMESA-N 444.670 4.976 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccco1 1690735646 FBNLOCKQSCAUNL-CYBMUJFWSA-N 436.379 4.745 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1)C1CC1 1692336795 AKZASVKQEYABJN-XMMPIXPASA-N 435.597 4.801 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)C1 1696548253 AKSOCXPCRXQFKE-IBGZPJMESA-N 438.626 4.628 30 10 IJEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1696700852 AQAZLFFLFLFXTD-GGAORHGYSA-N 444.583 4.689 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](C(C)C)C1 1705514764 IGUJWQIHXHRTED-JOCHJYFZSA-N 435.597 4.981 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1705515305 AAZHBFOTBKMNAL-SFTDATJTSA-N 446.954 4.694 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCN1CCCC[C@@H]1C 1705675310 KFNUERVVYQGKDQ-WNCULLNHSA-N 433.644 4.824 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1705756825 PLFPTMDTLSLDAF-OAHLLOKOSA-N 435.022 4.535 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(CCC(C)C)CC2)CC1 1705770702 RCWMKRXCAWZNOW-UHFFFAOYSA-N 442.677 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1705802402 KSPCXNJSOQHYLC-OAQYLSRUSA-N 442.579 4.994 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCO[C@H]2C(C)C)C1 1705918464 JYGVOUIESYGYLO-KNKQGSTJSA-N 445.007 4.831 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCC=CO1 1706743245 GJHVILYNGIBYAW-AZUAARDMSA-N 433.512 4.548 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2)CCC1 1722404889 GOOGYPRKLYKAFY-UHFFFAOYSA-N 438.373 4.617 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc(F)cc1 1722416714 PBBJGXIVXFBRJX-NHCUHLMSSA-N 426.580 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H](c1ccccc1OC)N1CCCC1 1722513062 QIRZVBYNNMWCQX-QHCPKHFHSA-N 448.615 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCN2CCCC2)CC1 1722575619 PNDPTNADVUUNRC-UHFFFAOYSA-N 437.632 4.868 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(C)(C)C)C1)c1ccccc1 1722593840 BMMPUZTZLBZXFA-YADHBBJMSA-N 435.616 4.746 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1722713420 BHJAOIFZIUHIED-IRLDBZIGSA-N 437.632 4.545 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](C)[C@H]1C 1722743234 VGTSQMLCZZZWJR-RTBURBONSA-N 432.659 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1740547578 YCKJTCIWTIAEFQ-HQRMLTQVSA-N 442.489 4.882 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740565701 FEDDYHNKTHZICD-NQIIRXRSSA-N 433.383 4.777 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Br)s1 1740582425 NWGZPORMAYWOBB-UHFFFAOYSA-N 440.370 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1740728278 UAHRUVUUYAGDFM-XMMPIXPASA-N 426.008 4.855 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C)[C@H]1C 1740746032 CKOVIZIGCPMPTR-CABCVRRESA-N 446.418 4.589 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(F)(F)F)CC1 1740763563 MRCYPYRPIDQGLV-LPHOPBHVSA-N 440.535 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CC)C1 1740844598 NSFBRBLRNMTVCZ-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1 1740846517 BPMZAHCXWCNBBV-IAGOWNOFSA-N 430.618 4.895 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1cccc(O)c1 1740852785 RZGNDKHYBDPSOX-CUWPLCDZSA-N 428.577 4.507 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2cc(F)ccc2C1 1740871003 NAKWIDLHWSQYSR-UHFFFAOYSA-N 444.352 4.714 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1740904199 BQNJHWDHHUTAPX-QHCPKHFHSA-N 426.586 4.619 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1740910178 LCROUXDMGTXAGB-GOSISDBHSA-N 431.625 4.669 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1OCCC1(C)C 1740913425 COTGIMZVPBPQHG-NRFANRHFSA-N 426.605 4.883 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@@H](C)C1)C1CC1 1740913566 PJZUPLJXMSRIFG-ZWKOTPCHSA-N 430.980 4.871 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCC(F)(F)C1 1740939254 SYEGREGBCGDLNO-KRWDZBQOSA-N 448.514 4.528 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)C#N 1741127380 AUCPYBNRXWQVKH-GQIGUUNPSA-N 433.959 4.785 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCS1 1748686327 NDFBWIIQZHJOAT-WIYYLYMNSA-N 426.630 4.898 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC2CCCCC2)CC1 1748737111 XHZFKBIBIJZVNN-RUZDIDTESA-N 433.644 4.936 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSCC(C)C 1748833191 LHYZUZJHKCKNRN-GOSISDBHSA-N 426.655 4.593 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1749028032 XHTTTZNVAMHGNJ-UHFFFAOYSA-N 432.380 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)SC 1749060436 PEIVTZMNMBFMJI-XMMPIXPASA-N 442.629 4.875 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1749130082 JMABZUJDGKSNOB-RCZVLFRGSA-N 437.632 4.694 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccccc2C)CC1 1749404201 VIBZAXIBYFQBKH-UHFFFAOYSA-N 435.641 4.917 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1749466194 LYCFKZGPJGUIAI-HSALFYBXSA-N 429.584 4.547 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1nc(C)c(C)s1 1749538031 DBGJXACJAPXGKB-UHFFFAOYSA-N 430.581 4.963 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1749538121 DOBVOIKSILMKRS-GGAORHGYSA-N 446.599 4.769 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC=CO1 1749587253 MUWUOJPMBVYURP-LJQANCHMSA-N 425.920 4.514 30 10 IJEE C=CCSCCn1c(N2CCc3cc(OCC)c(OCC)cc3C2)nnc1C(C)(C)C 1749764124 SBBSIYRZAIQIRQ-UHFFFAOYSA-N 444.645 4.855 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1760135124 JNRZDEUISDVNAB-UHFFFAOYSA-N 442.611 4.553 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC(C)(C)[C@H]1C 1760146889 ZICHLCGMXCCYNU-OAQYLSRUSA-N 431.584 4.770 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCc1csc(C(C)C)n1 1760210718 UFEOBBMFLIXTHY-UHFFFAOYSA-N 449.649 4.774 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)cc1 1760212848 GWURESWBFBWCKA-GOSISDBHSA-N 432.568 4.782 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760272814 WKLKZJIEKDELMS-LAUBAEHRSA-N 439.629 4.529 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](OCC(C)C)C1 1760305343 BASHWLJFKDHLOP-MRXNPFEDSA-N 444.377 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1760317664 IRUOBCKBUFJTFO-NNWRFLSQSA-N 442.629 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H](C)c1ccco1 1760324401 KDSWZOXCYKHCJD-PNCHPQGNSA-N 440.519 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(C)CCCO1 1760331297 HGKVSNGSIQIGCE-NRFANRHFSA-N 449.393 4.688 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CC(F)(F)C1 1760343783 UENVHKCHHJRWEZ-UHFFFAOYSA-N 441.320 4.774 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 1760363140 FTAYEVVUNYDHSF-OAQYLSRUSA-N 437.632 4.567 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)CN2CCCC2)CC1 1760403349 OUMUIERSTATKGZ-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760427372 YMQGSWGAKJHYJL-UHFFFAOYSA-N 449.643 4.905 30 10 IJEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(O)c([N+](=O)[O-])c3)nc21 1772764796 DNGCLRWNPQPCGZ-UHFFFAOYSA-N 433.472 4.620 30 10 IJEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)Nc2cc(Cl)cc(Cl)c2)CC1 1860592045 OCEHYONXURLBGW-NRFANRHFSA-N 435.351 4.681 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2)C1 1860915562 KVHVOYPHIPQUCX-QGZVFWFLSA-N 441.984 4.743 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860928492 DESNBCPBVFGXJZ-GOSISDBHSA-N 430.568 4.601 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(Cl)cc2)c1 1862491436 SOWCIIPBSFOXGU-NRFANRHFSA-N 435.911 4.501 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1OC 1862494677 FKORKUXDNDZVBY-QHCPKHFHSA-N 437.536 4.945 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(Br)c2)ccc1F 1862509219 AZZAYWYRWLJFID-SFHVURJKSA-N 430.273 4.637 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862603101 RBVRVHJJBDJUEX-XMMPIXPASA-N 443.499 4.960 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862680978 OOMMTCIGSQWQCF-VOJFVSQTSA-N 433.863 4.570 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862688020 SQIMYLFGGLMWJP-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc(C)cc1 1864270260 QPJNBKYKQZNYEC-NRFANRHFSA-N 438.616 4.945 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)COc2ccc(C)cc2C)cc1 1870143090 WCOIFBVWFCHNPO-UHFFFAOYSA-N 447.539 4.732 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1-c1cccc(Cl)c1C 1870154365 SRGBFXXCKRIWLT-UHFFFAOYSA-N 436.686 4.669 30 10 IJEE C=CCOc1cn(CCCCCO)c(CSc2nc3ccccc3n2CCC)cc1=O 1870245894 JMTOAWMODXSLGM-UHFFFAOYSA-N 441.597 4.628 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871195377 NOPKXAPDRVEXTM-UHFFFAOYSA-N 445.563 4.961 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(CN(CCO)Cc3ccccc3)c(O)cc(C)c2C1=O 1871393885 PMSCTDJRXADWTB-BKUYFWCQSA-N 435.545 4.681 30 10 IJEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O)C(=O)O 1871423479 TTXGSRDQZMKADJ-BDBXIWDTSA-N 426.465 4.651 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)s1 1871424929 BRIXETXHEWZVGV-ZCQLHAAUSA-N 441.534 4.574 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCC(=O)OCC(C)C)c3C)C1=O)cn2C 1871427398 CEOCIRZUDZFBOT-RMORIDSASA-N 449.503 4.690 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871458865 OAAQBDUWKZUPLT-QRVIBDJDSA-N 444.443 4.791 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)OCCOc3ccccc3)cc(C)c2C1=O 1871462223 OFFXZIJVPMLQKX-IWIPYMOSSA-N 444.483 4.921 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872559390 KONFLKLAMCNIIL-JOCHJYFZSA-N 428.598 4.823 30 10 IJEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(C[C@H]2CCCO2)C1=O 1873044083 YOGJDUNKDPKMJV-JOCHJYFZSA-N 442.600 4.684 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccccc2)C1=O 1873161656 ULPFFKDKJAVAJQ-UHFFFAOYSA-N 430.552 4.793 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccccc2Br)C1=O 1873253391 DSOVLHNTYXFTFT-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=O)oc2c1C 1873928770 IFHAKTGADULWBW-UHFFFAOYSA-N 436.464 4.763 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 1873965371 KSFOAIPFBWZZRS-UHFFFAOYSA-N 448.910 4.503 30 10 IJEE CCOc1cc(/C=N/n2c(COc3c(C)ccc(C)c3C)nnc2SCC)ccc1O 1874255361 XLUWHHQYTAQIFS-ZMOGYAJESA-N 440.569 4.881 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1OC 1874321435 RPHBWLHCIUCPFP-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 1874445623 GVYYIEXYDMJVLD-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2C2CCCC2)cc1 1874458101 XCYDZNZTOMUVBF-WGOQTCKBSA-N 433.581 4.535 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2cccc(F)c2)c(OC)c1 1875117288 AAQGEPFDIBGCJJ-VAWYXSNFSA-N 436.435 4.967 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCc1ccccc1 1875153043 YTSCGTZVAPNJQM-YRNVUSSQSA-N 430.456 4.858 30 10 IJEE O=S(=O)(NC1CCC(C(F)F)CC1)c1cc(C(F)(F)F)ccc1C(F)(F)F 1890713341 AEDCPFAOFYNLSY-UHFFFAOYSA-N 425.341 4.826 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CC1(CNC(=O)OC(C)(C)C)CCOCC1)NCCC 1922055159 PAAZLZSEGHIXCE-HSZRJFAPSA-N 446.632 4.839 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@@]2(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1930036679 WRQQDLCFBKLREX-DFIYOIEZSA-N 441.572 4.963 30 10 IJEE C#CCCCCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1957087984 OJIRYBMKHPJOLE-QHCPKHFHSA-N 437.561 4.905 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)NCC 2012863563 SIILHYYRZJHBAO-VXKWHMMOSA-N 432.605 4.542 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1scc(C)c1Br 2060547790 VSZSGSYSAUETBX-CYBMUJFWSA-N 431.396 4.637 30 10 IJEE C=C(COCC)[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345573 JTBVWEHCYSMSPJ-KAYWLYCHSA-N 433.548 4.798 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100156802 OSTKVWGHQQAEDB-DNQXCXABSA-N 435.417 4.802 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCCC 2159128493 SCRKCVICBNRNAL-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE C#CC(C)(C)C[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2167602884 DGTDUALKPCLGPG-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(Br)cc2C#N)CC[C@H]1C(F)(F)F 2174812646 NGEISKFIVWXUBS-ZIAGYGMSSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181136160 HCLFYAQTRRYTNO-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C#N)cc2Br)C1 2181144167 QKQNKOCASPVQKV-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CC=CCC1 2196078595 CHYOTFVNTNKQQR-GUYCJALGSA-N 434.334 4.509 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ccc(Br)c(C#N)c1)C1CCCC1 2204168285 DIOADFAUKKKHJB-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE C=CCC[C@@H](N)C(=O)c1sc(Br)c(Br)c1Br 2212199566 DMOWXSGOZUTBOX-RXMQYKEDSA-N 431.975 4.512 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2235721857 JJFMOXSWRCTSMM-WSTZPKSXSA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CC[C@H](C)C1 2235728452 RDFFIMSLSOXSRB-DKZVUGQWSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC12CCC(C(=O)C#Cc3ccccc3Br)(CC1)CC2 2235729143 SENULEGGONPFAF-UHFFFAOYSA-N 432.358 4.987 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC 2261818666 FYJCTGQFJVPJOU-SQJMNOBHSA-N 447.572 4.657 30 10 IJEE C=CCCC1([C@@H](O)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266318437 RSPUTZYOQXCCGJ-INIZCTEOSA-N 432.305 4.964 30 10 IJEE CN(Cc1ccccc1NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267099376 KDVNYTDOIISTJA-UHFFFAOYSA-N 444.381 4.864 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2ccc(Br)cc2)cs1 2278794819 ZDGSAJIZGMYCAA-LRDDRELGSA-N 437.359 4.576 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(OC)c(OC)c2)C1=O 2293535057 VNADGGPUSZWSJD-UHFFFAOYSA-N 425.506 4.556 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(F)cc1I 2296219546 PKCSYVDZNCYPBV-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(O)C#Cc2cccc(Br)c2)cc1 2296228689 BHXCJZIADDEXBL-QFIPXVFZSA-N 430.342 4.733 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2ccc(Br)cc2)CC(C2CCC2)C1 2296287415 WHTGNDSSUHOTHG-OZWAEMERSA-N 434.374 4.635 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC1(N(C)C(=O)OC(C)(C)C)CC1 2296292767 BWPZALWVOAIPRJ-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 2296311417 WVZWKEDCVNGVFV-XWPNQZOQSA-N 435.406 4.718 30 10 IJEE CCOC(=O)COc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2296608954 ULKGSAOFRFRGGS-UHFFFAOYSA-N 435.476 4.536 30 10 IJEE Cc1ccc(N=C2NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3)S2)cc1 2297104282 DPDUTCHFQRBMGK-UHFFFAOYSA-N 443.528 4.904 30 10 IJEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301437976 SJOFOYPSEGMGCL-VJBWXMMDSA-N 428.617 4.904 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2302802051 DZCMSCQNGZWJLZ-BRWVUGGUSA-N 436.557 4.900 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2306618779 WKNCQEJHZURLLS-BPYKYCOYSA-N 428.573 4.555 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2OCCC[C@@H]21 2313266964 WBQGWBLHGKHHRU-OHTANWTRSA-N 444.616 4.590 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317348194 JWANXUNUSJYHAB-JZYAGYNQSA-N 430.354 4.503 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(C)c1Br 2320603166 NWLZWFUTJPDYPA-CQSZACIVSA-N 431.396 4.637 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)NCc2ccco2)cc1 2322612848 UOFBOTDQLMGXCJ-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1OC(=Cc1ccncc1)C2=O 2322931723 HANAJCWRWLNIGE-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)cc1OC 2323222963 MCODOABEYPLZPG-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c1 2323494306 CVBCJKLRQOUHBC-UHFFFAOYSA-N 434.404 4.987 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1)NCc1ccco1 2323581143 ZQEPLFAUQDIWLC-UHFFFAOYSA-N 440.293 4.633 30 10 IJEE Cc1cc(O)c(CN2CCC[C@H](CO)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324209925 MYWHFJRHEGRYIA-AWEZNQCLSA-N 448.346 4.828 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4C(=O)O)c3C)C2=O)c1 2325161849 JTIXGFAKHRDYHS-UHFFFAOYSA-N 443.455 4.635 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325686390 MHUIBYQONMHFNG-UHFFFAOYSA-N 431.400 4.635 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 2325731241 PRHFVAFCDIJBJZ-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc2c(c1)OCCO2 2326589363 PIGBAGTWARYSHM-UHFFFAOYSA-N 444.560 4.982 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2327020194 WDAFUAPLSVXBGR-UHFFFAOYSA-N 439.541 4.891 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SC)cc1OCC 2327601345 RXZCCWHCIPUYOV-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2O)o1 2330664529 GBIYELWPHGXCDI-UHFFFAOYSA-N 448.504 4.595 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(O)cc1 2331032842 OGEOOKZIMAKWFN-UHFFFAOYSA-N 449.580 4.817 30 10 IJEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2331753782 WYAYUUIFNUENKL-UHFFFAOYSA-N 439.291 4.767 30 10 IJEE CC[C@H](NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338510744 AHEKEPVVCBGPPX-NQIIRXRSSA-N 446.441 4.530 30 10 IJEE COc1nc(Oc2cccc(NC(=O)OC(C)(C)C)c2)ccc1B1OC(C)(C)C(C)(C)O1 2339823197 FYHDWARFRHZVEN-UHFFFAOYSA-N 442.321 4.529 30 10 IJEE Cc1cc(F)c(Br)cc1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364848406 GTRAKQFBANARBP-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CCOC(=O)c1sc(/N=C/c2ccc(N(CC)CC)cc2O)c(C(=O)OCC)c1C 1947956 OOBXXAOSABWKSE-YDZHTSKRSA-N 432.542 4.712 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OCC 2849927 UPKXXFNMKOPNDG-LICLKQGHSA-N 446.272 4.896 30 10 IJEE Cc1ccc(NC(=S)/N=C(\Nc2nc(C)cc(C)n2)N2CCc3ccccc3C2)c(C)c1 14159911 DQXVGWFWKYPXEN-UHFFFAOYSA-N 444.608 4.933 30 10 IJEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1ccc(OC)cc1C 20291085 SKQFGJYJQLZSPP-UHFFFAOYSA-N 437.569 4.514 30 10 IJEE COc1ccc2cc([C@H](C)C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)ccc2c1 26334916 FVHZWEMRMJDJOT-LSDHHAIUSA-N 448.544 4.944 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cccc(C)c2)c1C 32973276 IPXKDKIRASGRIY-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/CC/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 33734576 GGSIOMFUVBGCAD-VULZFCBJSA-N 440.492 4.568 30 10 IJEE CC(C)c1ccc([C@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 102595057 IPOKILIXETWYSI-VFJWVMJUSA-N 446.459 4.933 30 10 IJEE Fc1ccccc1-c1cs/c(=N/C[C@@H]2CCCO2)n1/N=C/c1ccccc1OC(F)F 102960907 YZAPRPOORVCEIN-YGETVGBVSA-N 447.482 4.919 30 10 IJEE CNC(=O)/C(=N\OC)c1ccccc1CO/N=C(C)/C=C/c1c(Cl)cccc1Cl 115720730 RBWGTZRSEOIHFD-UHZXMWPXSA-N 434.323 4.696 30 10 IJEE in-vitro CCOc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170036134 CPFDTVIRZAYGBM-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)s1 170048153 SNSOODKCZXKWBO-FQEVSTJZSA-N 433.533 4.609 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)cc1 170058637 SEJYKXWBOIEQOR-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)c1 170066118 QNKKOJIDWSWEHA-QHCPKHFHSA-N 437.536 4.822 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(OC(C)C)cc2)[C@@H]1c1ccco1 170094826 SIAPEOOEDJGZSG-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(OC)cc1 170112913 UFENHOVSYFZASN-JOCHJYFZSA-N 437.536 4.526 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)cc1Cl 170138365 KCYZWHVXANYKIM-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170198162 RCAQHJLDZHVMRR-JOCHJYFZSA-N 430.529 4.800 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1 170228876 DCQQNSWYVBVNLS-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1 170232005 GSCHRRPJLAKHTP-QHCPKHFHSA-N 434.580 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170240841 SQJPWYXOCQMPSG-FYYLOGMGSA-N 431.463 4.736 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1c[nH]c2ccccc12 170255633 VOOBDYOEVHUPOP-HSZRJFAPSA-N 448.519 4.954 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(O)c2)c1 170258635 VMLCVTNIYCJJRJ-GYCJOSAFSA-N 441.483 4.807 30 10 IJEE CCOC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(C)c2)cc1 170459650 DDKIIJZYWWXONP-DEOSSOPVSA-N 435.520 4.616 30 10 IJEE COc1c(Br)cc(Br)cc1CNCc1ccc(C#N)cc1F 237285745 PJNDPYHXGZDPAB-UHFFFAOYSA-N 428.099 4.521 30 10 IJEE Cc1nnc(O)nc1NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 263628696 FLWHMGQOEZGBFQ-DEOSSOPVSA-N 449.518 4.687 30 10 IJEE N#CCOc1cccc(CNc2cc(I)ccc2Br)c1 312342742 DFXYHUDVUAVZAG-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(-c3cccc(OC)c3)cc2)c1 442314416 MVPSVUHYNLPSBL-UHFFFAOYSA-N 430.504 4.572 30 10 IJEE Cc1cc(-c2cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)c3c(C)noc3n2)c(C)o1 484162805 KRZIJAJYGHMIQS-UHFFFAOYSA-N 427.464 4.806 30 10 IJEE O=C(c1ccnc(OCC(F)(F)F)c1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 512387763 VTGJFQDJDAKHQU-QGZVFWFLSA-N 436.327 4.752 30 10 IJEE Cc1ccc(SC2=C(N3C[C@@H](C)C[C@@H](C)C3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526685693 XQVWBOHUZFFKEZ-HDICACEKSA-N 431.561 4.722 30 10 IJEE C=CCn1c(SCCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1ccncc1 539398343 ZOSYNTBCIKVPAD-UHFFFAOYSA-N 428.945 4.676 30 10 IJEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 549645065 KNHFISDLOHLULM-UHFFFAOYSA-N 427.593 4.541 30 10 IJEE C=C(C)Cn1c(N2CCC(C3CCOCC3)CC2)nnc1C(F)(F)Oc1ccccc1 549654650 AUAAPGJVPKDJID-UHFFFAOYSA-N 432.515 4.626 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 553453909 MQUSNJLCRGXNQO-UHFFFAOYSA-N 445.007 4.998 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H]1c1cnn(C)c1 685552053 LJZYGVOXSYEMMS-KRWDZBQOSA-N 447.768 4.622 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698350501 KJNNNIBPWJSVTG-DEOSSOPVSA-N 427.545 4.861 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 733639461 CEPYYRLQYPMAFY-UZLBHIALSA-N 427.342 4.987 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1ccc(OCc2ccccn2)cc1 752478179 ZOASTMIUWVJPLB-XMMPIXPASA-N 441.531 4.675 30 10 IJEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)C4CC4)cc3)c2C#N)C1 1124238760 DNMGSLUVOZXIMD-OAHLLOKOSA-N 442.606 4.959 30 10 IJEE C#CCN(C(=O)Cc1nsc2ccccc12)[C@H]1CCOc2ccc(Br)cc21 1126151132 LTIJDURWHSVGJD-SFHVURJKSA-N 441.350 4.587 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CCCN1C(=O)OC(C)(C)C 1128671938 GJVUHDSNKHWMBE-HSZRJFAPSA-N 446.498 4.650 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C)ns2)nnc1-c1ccc(Cl)cc1Cl 1128929659 CQGAHBIGMNZSBA-UHFFFAOYSA-N 440.381 4.934 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc21 1134356927 NQRHTUHZJUESEL-UHFFFAOYSA-N 428.448 4.962 30 10 IJEE C=CC[C@H](CO)CNC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1137919865 XZPUDCNYHYYDJV-ZDUSSCGKSA-N 438.380 4.676 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 1141970126 JKMYZJKNCLKAJF-HNNXBMFYSA-N 435.874 4.746 30 10 IJEE C=C(C)CONC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1144645263 QSMKGTMAAUPLQJ-LJQANCHMSA-N 434.536 4.662 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1 1151694742 MDMVXEGFZRCCBC-FQEVSTJZSA-N 426.563 4.986 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cccc(F)c1I 1154366789 AQGFUXKTMZIAPC-UHFFFAOYSA-N 425.241 4.580 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1 1166609286 GHBRHHRNDPPLLM-LJQANCHMSA-N 447.576 4.899 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1OC 1168716899 TYQXQJKGVWZIHI-HNNXBMFYSA-N 427.339 4.646 30 10 IJEE C=C(C)CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1cnn(C(C)C)c1 1170204241 AKRDKBIVHDGYJN-UHFFFAOYSA-N 441.576 4.667 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl)c1ccc(F)cc1 1190595621 QVUSWXOEISGKHT-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 1201313892 CYHNBXRFGDEJBB-XMMPIXPASA-N 447.551 4.633 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@H](OCC)C23CCCCC3)cc1 1214912344 RSGUKDBEIHRHLB-VXKWHMMOSA-N 425.573 4.750 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc(OC)c1OC 1217041486 NZTTWPSHGQUENJ-UHFFFAOYSA-N 446.960 4.869 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3C[C@@H](C(=O)OC(C)(C)C)[C@H](c4ccccc4)C3)cc21 1220204117 BMOLIBQFUXHNFY-FCHUYYIVSA-N 446.551 4.812 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2CCCC2)ccc1Cl 1264494805 OSXRXCNWRMPPQL-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 1266593059 VZNLWAJLHHHTJR-UHFFFAOYSA-N 449.378 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCCN1CCCCC1 1286296738 RIODFJRYJMEFRH-FQEVSTJZSA-N 428.024 4.636 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1286334156 SEKOGVAXSLPZNL-UHFFFAOYSA-N 438.622 4.895 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1286355752 YILOAFHOKJAIEC-IBGZPJMESA-N 435.572 4.578 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)C(F)(F)F 1286439015 KGUOUWNDIAERHN-UHFFFAOYSA-N 435.313 4.817 30 10 IJEE C#CCSCCn1c(N2CCS[C@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1286512726 NLWYQNVHBMLERB-NRFANRHFSA-N 440.682 4.692 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1286517794 WCBLTMCAIJMXMC-HSZRJFAPSA-N 431.625 4.651 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@@H](OC)C1)c1ccccc1 1286619291 QIDQRYGRACUBFY-OUFMZXHOSA-N 438.616 4.771 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286653917 AVOIVSVCCTVZRS-KRWDZBQOSA-N 443.592 4.752 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1286662223 BBZZVQXNMCCDKV-FQEVSTJZSA-N 431.584 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286669545 JVWDPXMQSFRGIR-OAQYLSRUSA-N 432.616 4.597 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1286682569 REXJOIWISQOQOP-UHFFFAOYSA-N 429.996 4.697 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286691334 FWPYZOJLCJITBZ-DEOSSOPVSA-N 430.568 4.994 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286695672 FPTZNAMKGLUAQZ-OALUTQOASA-N 437.371 4.602 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nc(C)c(C)s1 1286715400 YLKHKWGBQUGCRP-SFHVURJKSA-N 425.602 4.973 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)CN1CCCCC1 1286749037 ILPTXXBSIQKTRA-RBBKRZOGSA-N 443.661 4.896 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](SC)C(C)(C)C 1286767578 BLCGYYHSUCOOCZ-FQEVSTJZSA-N 427.618 4.843 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCS[C@@H](C)[C@@H]1C 1286799500 VTOSGJQNGPKPFB-OALUTQOASA-N 426.630 4.954 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C)CCOCC2)cc1 1287630314 HNNBSZUADOBSIC-FQEVSTJZSA-N 439.604 4.783 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC2CCOCC2)cc1 1293664589 XTEXRNFRWHWYAZ-NRFANRHFSA-N 432.561 4.680 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(CC#N)CC1 1298885703 AVOJPQVCYAOXBV-DEOSSOPVSA-N 448.659 4.704 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCN(CC)C(=O)OC(C)(C)C 1300275258 SBEAJAIBHFNLCF-CTNGQTDRSA-N 439.604 4.535 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1300431096 COAAENWRBKGYFN-XMMPIXPASA-N 442.611 4.569 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1CC 1300473148 PHYICWBVBOYKMM-IAGOWNOFSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1300809064 RSOYGUMQZCLHJI-VANUSSGQSA-N 437.607 4.511 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccco1)C(C)C 1300830031 OHPSHRKSDGQKQF-UHFFFAOYSA-N 446.305 4.770 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCCc1ccccn1 1300879343 CPRDTBLLCBTMAQ-AUSIDOKSSA-N 435.547 4.529 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1300939167 QUCLMOLPQSVIRA-IBGZPJMESA-N 436.991 4.670 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1300945029 PHSYZSSQEMTYNH-QFIPXVFZSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301142183 XNOFMQZTZULWKO-OAQYLSRUSA-N 433.604 4.672 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(C)C)C1)c1ccccc1 1301167648 DAPHKSHMJXCNJN-RPWUZVMVSA-N 432.616 4.982 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)C1)c1ccccc1 1301168887 VXMPYJGJGSJTMH-PZJWPPBQSA-N 449.624 4.866 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1301177401 ZGFCEJJPDHQJBQ-OAQYLSRUSA-N 430.618 4.896 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301226272 RSIDCMRJGKTLCE-IBGZPJMESA-N 444.004 4.831 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1301257914 GLWXWAOPWPNMQO-JOCHJYFZSA-N 426.605 4.600 30 10 IJEE C=CCn1c(SCc2ccccc2C(=O)OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307237656 GZTJYJKFOSUTDB-CQSZACIVSA-N 440.590 4.848 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(OC)c(Cl)c1)C(=O)OC 1307242591 LLNGYISWZPNJFU-GOSISDBHSA-N 429.929 4.806 30 10 IJEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N 1307565144 CSZBWDCUFSQEEE-SBUREZEXSA-N 448.633 4.548 30 10 IJEE CC(C)CN(Cc1cnn(C)c1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1310138355 BPBCOLDTMGTRSH-UHFFFAOYSA-N 431.540 4.755 30 10 IJEE Cc1sc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1C1CCCCC1 1310756436 GUWWLUAHKXOLFC-IBGZPJMESA-N 437.569 4.688 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(I)cc1OC 1310788329 WNKCFWGXIAIAHL-UHFFFAOYSA-N 428.314 4.900 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 1312725942 MRBBRTFDQZFPJP-DEOSSOPVSA-N 432.545 4.604 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C#N)cc3)c2C(=O)c2ccccc2)C1 1358180944 FVSHHTXPZXXTNU-MRXNPFEDSA-N 430.529 4.993 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(C2CCCCC2)CC1 1358915619 KEYYBXNMSPVDIN-UHFFFAOYSA-N 433.644 4.712 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)C)CC1 1359051749 IZSBPJCITSEMRN-UHFFFAOYSA-N 439.673 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C(C)(C)C)no1 1359073174 FYCFPJZXIHRHIO-AREMUKBSSA-N 447.583 4.800 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[S@](=O)C(C)(C)C 1359107004 ABNMIVCOOSDAJB-ZQHDKMAOSA-N 436.597 4.507 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1COC(C)(C)OC1 1359124373 ZOSFYFGCZLBHGZ-UHFFFAOYSA-N 442.604 4.566 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)=C(Br)C1 1359151764 AVNDFXUGABRJAJ-UHFFFAOYSA-N 443.723 4.779 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)c2nccs2)CC1 1359169110 UQWGBRRNSXJQJT-KRWDZBQOSA-N 441.626 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1359189925 YOMNRDNPCQTPQP-FQEVSTJZSA-N 437.632 4.958 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccco1)c1ccccc1 1359193633 HDNQPHSXTCXSMD-FQEVSTJZSA-N 442.523 4.515 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)c1ccccc1 1359195742 QXBXAUCQIOILIC-QGZVFWFLSA-N 442.489 4.572 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1359219007 CMIUUVHRQVUBOD-HXUWFJFHSA-N 440.588 4.645 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1359231939 JINGDGJJIXJKTG-RBUKOAKNSA-N 429.584 4.690 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCn2cc(C)nc21 1359232305 RGRJSFIIMMRCHA-NHCUHLMSSA-N 434.588 4.740 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnc(CC)s1)C1CC1 1359248286 HXRSCDSEWMLVCT-UHFFFAOYSA-N 435.384 4.869 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccsc1 1359256898 UBLYUFBSUCTKAO-VWLOTQADSA-N 447.608 4.969 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@H]1CC(F)(F)CO1 1359264605 JRACAQNZJFCSBJ-LJQANCHMSA-N 444.551 4.742 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1359265672 KFQRHLNLLAPZMU-XAISMOLKSA-N 427.637 4.597 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nc(C)cs1 1359279502 JCJMCOXESKGQBK-UHFFFAOYSA-N 438.384 4.704 30 10 IJEE CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1359738799 DAJPXTLIFHZLGT-QFIPXVFZSA-N 432.572 4.585 30 10 IJEE C#C[C@H](NC(=O)CCc1ccc(C)cc1Br)c1ccc(Br)cc1 1436651788 SEIHYCNTPQXVHK-SFHVURJKSA-N 435.159 4.943 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(OC)cc1OC 1440711775 BGKPJMGTBSQXHJ-UXHICEINSA-N 432.561 4.617 30 10 IJEE C=CC[C@H](CO)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1447025332 ILVZGVVGHUOQFQ-IBGZPJMESA-N 441.531 4.616 30 10 IJEE C=CC[C@@H](NC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)OCC 1447556265 XNUCMWULFPHVLG-HXUWFJFHSA-N 440.927 4.611 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CCO)cc1 1449837130 GURPCKYQRONWIF-OAHLLOKOSA-N 447.457 4.745 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(Cc3ccc(C#N)cc3OC(F)F)C2)C1 1460106917 BWIZSKUBPQIPEF-MSOLQXFVSA-N 435.515 4.629 30 10 IJEE CC(C)n1nnnc1-c1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 1461856889 BJVNRKJMTGWSBV-UHFFFAOYSA-N 438.491 4.624 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c1 1464625908 CZJTVZZOFLSOCT-IBGZPJMESA-N 432.545 4.909 30 10 IJEE N#Cc1ccc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1Br 1472762460 FNNLKKTTWSJWMZ-UHFFFAOYSA-N 441.247 4.707 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3ccccc3c(=O)n2-c2ccc([C@H](C)CC)cc2)C1=O 1472945869 OMIQFUNQJXCQJB-VGOFRKELSA-N 433.577 4.778 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1scc(C)c1C#N 1476558670 HVQMYLMTELSYFH-RBUKOAKNSA-N 440.569 4.972 30 10 IJEE COc1cc(CCNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)ccn1 1476792019 BUXWPAZKRPWCMV-UHFFFAOYSA-N 439.331 4.744 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H](CC2CCCCC2)c2ccccc2)C1 1477726408 BNIUUNDBOKRRER-BHDDXSALSA-N 440.588 4.756 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1478054334 SITLXJAEBICZJT-UXHICEINSA-N 429.511 4.743 30 10 IJEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC1CCC(F)(F)CC1 1507704049 NHRNSBBMFSSXLJ-UHFFFAOYSA-N 442.554 4.660 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC(F)F)cc2)CC1 1507903431 DBJKXTHLZRBWGQ-UHFFFAOYSA-N 430.524 4.983 30 10 IJEE C=CC1CCN(c2nnc(C3CC3)n2CCc2ccc(OC)c(Br)c2)CC1 1507905948 DNJOZIPJWVFSMN-UHFFFAOYSA-N 431.378 4.572 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1507957138 WCBUNWNUSHCIPD-JOCHJYFZSA-N 430.643 4.879 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CC(C)C)C1 1507958244 RRKYJAPTIVCDCH-MRXNPFEDSA-N 436.398 4.501 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCOC[C@H]1C 1507995621 AFQRPGFJEWITCZ-TZIWHRDSSA-N 426.605 4.741 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCC1 1508008496 FZHGAEBVTMTMGB-FQEVSTJZSA-N 446.624 4.803 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)CC1 1512268133 HTJZDCUQFPRPLI-LJQANCHMSA-N 441.023 4.849 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1OC 1515088509 JIOBLAVDWBCBJL-ROOORRATSA-N 434.580 4.964 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)CSc3ccc(Br)cc3)n2)c(Cl)c1 1519838415 BEUOPXHNUOSQGJ-UHFFFAOYSA-N 447.745 4.891 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(Br)cc1 1525054457 NIEHZALZRBVMDT-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1ccc(Cl)cc1F 1525069947 KBUGEHKWOWBVFA-OAQYLSRUSA-N 436.849 4.699 30 10 IJEE C=CC[C@@]1(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CCCN1C(=O)OC(C)(C)C 1526307899 QULVAVWJZYHBCI-VWLOTQADSA-N 425.573 4.889 30 10 IJEE CCc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2=O)cc1 1526620798 DTSSSGUCZXBNIE-FQEVSTJZSA-N 426.520 4.520 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 1528896868 BRRHPSSWHUWONX-UHFFFAOYSA-N 446.732 4.853 30 10 IJEE C=C(C)[C@@H](NC(=O)Cc1ccc(I)cc1)c1ccc(F)c(F)c1 1529492220 NHACEPNIUIPWKK-GOSISDBHSA-N 427.232 4.546 30 10 IJEE C#CCCCCCC(=O)NCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 1530610837 OBLRNINXFSJSOF-LVZFUZTISA-N 426.582 4.720 30 10 IJEE C#CCN(C(=O)Cc1cccc(C)c1Cl)[C@H]1CCOc2ccc(Br)cc21 1531554618 XERWRSUVQPZRQH-SFHVURJKSA-N 432.745 4.939 30 10 IJEE C=C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)c1ccccc1 1532387293 JWNCFSNFZDCAID-OXQOHEQNSA-N 433.957 4.845 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)CCCN1C(=O)OC(C)(C)C 1537421319 IQJKWBBZBPMLGK-VBKZILBWSA-N 427.467 4.623 30 10 IJEE C#CCOc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)c1 1537949904 MFOPHAAASNZTEC-UHFFFAOYSA-N 428.319 4.989 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1cccc(F)c1 1539351163 NPFUNLKBLLAUEC-UHFFFAOYSA-N 438.572 4.953 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1539616476 RCMNCOITSCUQKJ-LQWHRVPQSA-N 430.980 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1cnn(CC)c1 1539659091 IQIYCQZUNGVHLL-UHFFFAOYSA-N 447.356 4.514 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1539891370 ACNXGNVYXLTHCO-HXUWFJFHSA-N 439.623 4.921 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCO[C@H]1C(C)C 1540088613 OKCRIXBKUQMFNR-AVRDEDQJSA-N 430.618 4.652 30 10 IJEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(C)C)C1CC1 1540103796 JFFOGUDJHSNVQG-UHFFFAOYSA-N 434.588 4.512 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1540147921 XKQLTTDWYOYMSW-HKUYNNGSSA-N 445.633 4.740 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCCC1(C)C 1540180652 RYYMBHSFZQOQGK-SANMLTNESA-N 431.584 4.516 30 10 IJEE C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1)N1CCCCC1 1541819282 BKDKPPZABGITDM-HXUWFJFHSA-N 448.640 4.822 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 1544886560 DHGJHDJZBLKVRD-FHAGJXEFSA-N 447.579 4.754 30 10 IJEE CCCC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1546928875 BQTGYSOBJLRPPM-PXNSSMCTSA-N 443.979 4.771 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(C)(C)C#N 1556747462 PJEUJPRMHCSLNV-XMMPIXPASA-N 445.563 4.868 30 10 IJEE CC[C@@H]1CN(c2ccc(C#N)c(Br)c2F)CC[C@H]1NC(=O)OC(C)(C)C 1559158593 BZRHWFOVZPGMCJ-TZMCWYRMSA-N 426.330 4.589 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 1559591649 BJQRRIJYJUROGV-ZJSXRUAMSA-N 449.595 4.500 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)/C=C/c1ccc(F)cc1 1561208790 PNQCRXUHYLBOIW-PKNBQFBNSA-N 428.298 4.716 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1564795349 LHCXPMIDDWTCPC-FQEVSTJZSA-N 436.506 4.931 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 1565157164 ZWVUTONSCSIXGQ-KRWDZBQOSA-N 436.886 4.980 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 1583093254 XEDBMGSXVRZXHA-LPHOPBHVSA-N 438.996 4.904 30 10 IJEE C=CCSc1ccccc1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 1585466724 HENRTLRSMHTHOV-UHFFFAOYSA-N 430.017 4.560 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ncc(CC)s1 1587738259 ACWZDLQSBILFOS-UHFFFAOYSA-N 430.581 4.952 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)C(C)(C)C 1588089344 IXGUSGCSUDRSEI-FQEVSTJZSA-N 447.608 4.511 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1588445500 NSDMNEIENPSWLH-QGZVFWFLSA-N 449.624 4.563 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)Oc1cccc(F)c1 1588458924 JPXRYTQOCXZKII-KSEOMHKRSA-N 442.579 4.653 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]2CCC[C@@H]21 1588985208 QHKWCXDGUMDDKS-NSHGMRRFSA-N 428.577 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CC)C1 1589494445 LJAMCNMWOSPRRU-FCEWJHQRSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(Cl)cc1Cl 1589578028 FFJQQWVWVZIARD-ACJLOTCBSA-N 433.343 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nnc1C(C)(C)C 1594529393 SPWCKFWKJVSRNL-IBGZPJMESA-N 429.653 4.653 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594697446 BNSHDTRTUYEPLO-QHAWAJNXSA-N 440.588 4.568 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)[C@@H](C)CC 1595184881 FJBXTFFPNYEWIX-LIRRHRJNSA-N 439.423 4.745 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1csc([C@@H](C)OC)n1 1595196065 JWIRTWFTBHCWRJ-QGZVFWFLSA-N 446.580 4.884 30 10 IJEE Cc1ccc(Oc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)c(C)c1 1597401191 GZCRAWCMBJURSM-FQEVSTJZSA-N 425.488 4.959 30 10 IJEE C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1611455605 CTKYMVHRXHTRPS-IRXDYDNUSA-N 431.923 4.874 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2CCc2ccccn2)c1C 1611822228 FPTUFESPSBGTNY-NRFANRHFSA-N 444.583 4.803 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC#N)CC1)OC 1613125548 FEOJAJXBMMGKHS-JPYJTQIMSA-N 447.587 4.526 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nc2sccc2c1=O 1613303871 XMZIFNOMZZBYNS-AWEZNQCLSA-N 440.468 4.669 30 10 IJEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccsc1)C(C)C 1615637610 AVSYGLMJINSSDD-QFIPXVFZSA-N 434.613 4.950 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCC 1623863964 UULZSTSUXVMNKT-OAHLLOKOSA-N 428.451 4.739 30 10 IJEE C=CC1(CC(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)CN(C(=O)OC(C)(C)C)C1 1625220727 OKPQPLOSVUKACM-LJQANCHMSA-N 427.589 4.670 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 1626803536 YFBXRJBUCRDYLU-LBPRGKRZSA-N 433.814 4.821 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccc(Br)cc1 1629624814 NIWSZUSYDUFZBX-JOCHJYFZSA-N 440.385 4.609 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1OCCC(C)(C)C 1637220003 DCXZHODTWWVFQH-QGZVFWFLSA-N 439.984 4.549 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)CC1 1638656789 VPFPWHCJTAMMCG-UHFFFAOYSA-N 429.973 4.651 30 10 IJEE C=CCCONC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1647929170 RZVXRTBWQNPAJI-LJQANCHMSA-N 434.536 4.662 30 10 IJEE C=CCC(CC=C)C(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1648437056 XKDLGCJAGLJPCY-CJFMBICVSA-N 426.557 4.774 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cn1c(C)c(Br)c2ccccc21)c1ccccc1 1648461996 VIVCOCNRZYGWQG-AREMUKBSSA-N 431.355 4.952 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)CCCC(=O)c3ccc(Cl)c(Cl)c3)n[nH]2)c1 1654863739 AWBODOJMUSJKJH-UHFFFAOYSA-N 428.279 4.642 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NCc3cc(F)ccc3OC(F)F)c2)nc1 1659477313 ABTULIBXCHLDRN-UHFFFAOYSA-N 428.370 4.808 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)NCC1(c2ccccc2)CCCCC1 1660559245 BRLXGJKDMDQEAX-UHFFFAOYSA-N 433.371 4.501 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1 1667744905 ICEJGJJBPZMCHO-UHFFFAOYSA-N 430.483 4.839 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 1668574636 FLRSMYSIVASUET-IRLDBZIGSA-N 439.943 4.675 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 1668996600 QEJYXWUBWUUVCA-HXUWFJFHSA-N 429.923 4.667 30 10 IJEE C=CCC1(NC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)CCCC1 1669068959 NHZCSYWLWLTTDD-UHFFFAOYSA-N 434.508 4.949 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 1670415845 WBPQPLVRLCEIQG-WTANOLMUSA-N 430.467 4.750 30 10 IJEE CCOC[C@H]1CN(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCO1 1670995353 AGMJNFXUMWLNBH-GOSISDBHSA-N 431.945 4.632 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1671794237 CJLCUSPEKCZDCF-BGYRXZFFSA-N 425.554 4.819 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 1672708231 HZNXKHYQFPDWTE-IAAVTCLWSA-N 437.378 4.807 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 1673577721 KIAWWCGBHBQXQB-AZUAARDMSA-N 426.866 4.577 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)CCCC1 1674373078 ZNHFKKKOAPSKRG-UHFFFAOYSA-N 444.620 4.976 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H]3CCCCCN3C(=O)OC(C)(C)C)cc21 1675099151 XDAOJSNTTKWFJA-LJQANCHMSA-N 427.549 4.524 30 10 IJEE C#CCN(C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCCc2ccccc21 1678942863 UNRQRKPPUSFIQM-NRFANRHFSA-N 434.927 4.655 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(F)cc1Br)c1ccc(Br)cc1 1681606186 JOFQMDMLMJAAPC-INIZCTEOSA-N 440.110 4.524 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1681942322 KLAWMLPEFFQVGY-INIZCTEOSA-N 444.329 4.612 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cccc(C(F)(F)F)c2C1)c1ccc(Br)cc1 1682357213 VHRZOHOXAZDREX-SFHVURJKSA-N 437.259 4.910 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 1685055719 IYXYMZHPMJAAAW-RDPSFJRHSA-N 440.609 4.740 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1)c1ccc(Cl)cc1 1686918432 LSAXTODPMNXQOJ-QFIPXVFZSA-N 449.938 4.871 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CCC 1689887273 VJOSBCQGLNEQPK-LJQANCHMSA-N 434.588 4.664 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccccc1OC 1690317140 SUVITBDXBWBMOB-OAQYLSRUSA-N 438.597 4.873 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1690327630 VYSKJPYUUBMCRV-GOSISDBHSA-N 448.398 4.773 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1690384222 JZTBVPXTASEQNA-OAQYLSRUSA-N 437.613 4.931 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2ccc(OC)cc2)CC1 1690413555 XVLURZBCLDEJIU-UHFFFAOYSA-N 437.613 4.678 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CCC2(F)CCC2)CC1 1690415585 QTZMDCFLZPRXNA-UHFFFAOYSA-N 428.552 4.941 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCCN(C(C)(C)C)CC1)c1ccccc1 1690442566 WECFXUULLZHZLH-HSZRJFAPSA-N 446.643 4.954 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)(C)C)CC1 1690485239 NXUBOSYJXODCLO-OAQYLSRUSA-N 426.561 4.541 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C(F)(F)C12CCC2 1690515783 UJTDSXJOFFUBHN-QFBILLFUSA-N 432.515 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1Cc1cccnc1OC 1690571599 CRDIGMRAAFGZBD-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCSCc2ccccc2F)C1 1690690220 UJJWNPCKUPWPGW-IBGZPJMESA-N 442.560 4.700 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1690738397 LEYJAFBBXLNVIX-UHFFFAOYSA-N 441.645 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@@H]1C(C)C 1705503106 PBVWWXHOOLRJMS-STWLZBDKSA-N 438.616 4.808 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCOC(C)(C)[C@H]1C 1705509912 PRBXJHMEFGAHHF-QZTJIDSGSA-N 426.630 4.939 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)C(C)C 1705590623 RIBMKDCQBLQMQL-NRFANRHFSA-N 447.608 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)c1nc(C)cs1 1705590773 VXVYJVJLRPPCSF-FQEVSTJZSA-N 443.620 4.780 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1705610952 KUGJUSQKSKGNCN-PMACEKPBSA-N 432.616 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCC(F)(F)F 1705720631 KQEKXEBALHALFP-HZPDHXFCSA-N 434.572 4.895 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2Cc2c(CC)nn(C)c2CC)CC1 1705784295 OTCOEGFMOFBEEX-UHFFFAOYSA-N 446.643 4.762 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705805426 GWQFPGKJLNRJHV-JTHBVZDNSA-N 429.653 4.619 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCc1cccc(C)n1 1705879211 QPGZJMHTVCDNEE-UHFFFAOYSA-N 438.535 4.591 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)C1 1709292397 DVHROUDXIXZXPU-PCCBWWKXSA-N 434.632 4.810 30 10 IJEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C 1710670673 HRRQPUSKDSOSQL-GBXCKJPGSA-N 449.599 4.575 30 10 IJEE COCc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)SC)o1 1712209361 CCXWXJWNWIHWKT-UZLBHIALSA-N 437.569 4.649 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722319532 NCXWGEPMGDABPU-UHFFFAOYSA-N 448.636 4.616 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722327110 ZORKGTHCXQVHHN-FQEVSTJZSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1722328460 REBRXVVIXNAQLR-JOCHJYFZSA-N 433.644 4.968 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1scnc1C 1722392579 ISJFTIRZAORQOU-UHFFFAOYSA-N 444.391 4.722 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1722488685 BOUAGMNYLMTJCR-VQFNDLOPSA-N 437.769 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)c1nc(C)cs1 1722511857 OIGCWHCFVSCIKL-OAHLLOKOSA-N 425.558 4.645 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](F)(C#N)C1 1722528476 HHMBHESLYHIHAX-NRFANRHFSA-N 445.951 4.848 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2ccc(Cl)nc2C1 1722530723 IFHMXTBYQXGCIB-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccnc(OC(F)F)c2)CC1 1722561873 BUFBWOMRLGLWPK-UHFFFAOYSA-N 431.874 4.800 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCCCOC)c2)CC1 1722576637 RMVIGOQVNIUCRF-UHFFFAOYSA-N 436.556 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C[C@H]1CCCO1 1722584895 KDUMEMDQULFCTF-MRXNPFEDSA-N 436.398 4.643 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](CC(N)=O)C1 1722597490 NLBPFQZPAIYOHZ-MSOLQXFVSA-N 441.645 4.580 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1722624020 QVQQQJCWYGIRLE-NRFANRHFSA-N 442.947 4.671 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OC(C)C 1722662212 DYLWKLDFRWXOGK-UHFFFAOYSA-N 448.596 4.768 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCC[C@H]1C 1722692710 UWRNIXPMRVQITR-IBVKSMDESA-N 438.616 4.884 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1740657514 YXWMQUIHJKEFGF-UHFFFAOYSA-N 447.583 4.598 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1740789591 HCSPVLWFQCZWAI-PZJWPPBQSA-N 440.588 4.714 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1 1740816482 GKLNVUINRRZHOS-IRXDYDNUSA-N 447.967 4.690 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1 1740843269 CUPJSJHNWLVNEA-FPOVZHCZSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccccn2)CC1 1740858421 QJZSZBUBPVVANP-QHCPKHFHSA-N 430.600 4.898 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1740877121 YSFSXRHJNCYMQN-VQTJNVASSA-N 434.943 4.856 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1740907361 SYVLGVWHKCSABC-GJZGRUSLSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1C 1740923173 FGOZVERWULOXIN-UXHICEINSA-N 438.597 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1N(C)CCCC1(C)C 1740934189 UZKGCHAIZHZNJA-QHCPKHFHSA-N 437.632 4.773 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CCc1csc(C)n1 1740936320 PHMGEWLRYSNRLR-UHFFFAOYSA-N 437.544 4.920 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1740997332 YJTGOOGNFVPZGF-VGOFRKELSA-N 448.633 4.810 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)CC#N 1743053043 GKZDATFILGJXDL-WOIUINJBSA-N 448.571 4.934 30 10 IJEE C[C@@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1743060473 CERDAVHXCZZKND-DVECYGJZSA-N 441.023 4.993 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCN(CC)C1 1748646997 GXQSTPBVKNGEIM-JKSUJKDBSA-N 428.005 4.613 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1748708575 BRIJMMBWNRLAJQ-SFHVURJKSA-N 436.535 4.778 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1748722148 SWNBMBDERLODFR-QFIPXVFZSA-N 426.992 4.721 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(F)(F)F)c1ccccc1 1749242391 HQJCKGPFTKSIEX-UHFFFAOYSA-N 440.267 4.748 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCSC2)C1 1749393071 JEDQQYMGOJAWQC-QHCPKHFHSA-N 428.602 4.652 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1749547623 VFAUSNSRCQXZAN-WOJBJXKFSA-N 425.596 4.855 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)s1 1749590325 VURFBYAQFYCJMJ-UHFFFAOYSA-N 439.972 4.855 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1CCOCC1 1750066130 GEJRZLGWTCUBGC-MRXNPFEDSA-N 439.560 4.835 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 1751995171 GNJQDEJIHOZKSJ-OPYAIIAOSA-N 434.613 4.663 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC=CO1 1760198697 NQFQPKFSYKWWTA-HXUWFJFHSA-N 432.524 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1N(C)CCCC1(C)C 1760289442 OUTBRFWATUKCBE-AZSVPQILSA-N 433.644 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC=CO1 1760292250 VOBWSGOYZFSWSC-IIBYNOLFSA-N 445.336 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(CC)C[C@@H]1CCCO1 1760320750 XMYNCXUMBYYLCM-LQWHRVPQSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1cccs1 1760323601 FGLPFRAWJBPNAN-AUSIDOKSSA-N 438.597 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)[C@H]1C 1760327521 ICQWANZFTWWMAE-OWQNAKTJSA-N 448.677 4.508 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760342527 FNUNOYYQARNEAE-IBGZPJMESA-N 441.645 4.594 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760352894 AEWVQIZNVJMCFT-OAQYLSRUSA-N 439.585 4.653 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)c1ccccc1 1760417616 GDXNWATYTMISTL-NNWRFLSQSA-N 435.616 4.647 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CCOC2)C1 1760434577 GEKLLHHLKDHVHN-NRFANRHFSA-N 431.378 4.599 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(c2ccccc2)CC1 1760468068 GQYWAHCUJTYQDF-FQEVSTJZSA-N 437.588 4.704 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCc2cccnc21 1760468241 MXKSNJNGWAUGLW-IBGZPJMESA-N 435.597 4.716 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)C1CCCCC1 1760492631 AJYPNRUUVZUNFA-SANMLTNESA-N 433.600 4.947 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CC1(N(C)C)CCC1 1760498464 SDSRWNUMBPEMPS-UHFFFAOYSA-N 439.991 4.911 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCCC1=O)C1CC1 1761074650 FPWBFZIWHREBMJ-UHFFFAOYSA-N 448.615 4.624 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CC(F)(F)C2)cc1OC 1765983232 ADAXXWLCNRQAQS-JOCHJYFZSA-N 445.514 4.528 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1O 1862382569 JKMUYTKDXGYJGV-GOSISDBHSA-N 436.291 4.694 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862384653 XEPMCHKSPHRXBH-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862444628 CMKSXBRTTMTXCD-GQNMWPQZSA-N 441.911 4.908 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(=O)OC)cc1 1862449617 PFHCFIPVYJFQJB-LJQANCHMSA-N 427.884 4.505 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862462241 XVPQXAASHPXWMM-GIPWTMENSA-N 449.425 4.585 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 1862468500 QFJHKLCCHRDHLG-KPZWWZAWSA-N 432.289 4.965 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862534913 WHOSAMFHGPLJPI-OAQYLSRUSA-N 448.500 4.997 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862617227 HHRGFVRYRZKVSA-JLTOFOAXSA-N 427.928 4.597 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862676767 QPRCTINPRXYYPD-RFVSGWPVSA-N 438.455 4.891 30 10 IJEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(OC)cc2OC)C1=O 1863752439 HNXSJCOXGWOOQX-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2C)n1 1867961311 XJPAWRVARDVVPE-UHFFFAOYSA-N 425.580 4.957 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@@H](c3cccnc3)C2)nc(Cc2ccccc2)n1 1868216112 RJPUITFUBIYOEL-XMMPIXPASA-N 448.530 4.656 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868246134 ACCFDAIJKYZMFH-UHFFFAOYSA-N 448.596 4.738 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NC(=O)C(c1ccccc1)c1ccccc1 1870139563 XOOSJPOTDBKOLU-UHFFFAOYSA-N 448.530 4.510 30 10 IJEE C#CCOc1cn(Cc2ccco2)c(CSc2nc3ccccc3n2CCC)cc1=O 1870300652 OQXIBGXVJKOBHS-UHFFFAOYSA-N 433.533 4.554 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CN(C)C 1870473437 XEYBGHIDLHOQIU-UHFFFAOYSA-N 442.600 4.817 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(CCCc1nc3ccccc3[nH]1)CO2 1871347152 COUVBMDMCIWZRQ-XKZIYDEJSA-N 441.487 4.865 30 10 IJEE Cc1c(OC(=O)COc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871364832 VNZYSGHXBOWVQR-BKUYFWCQSA-N 431.400 4.504 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871431462 ZHCKWOQOEDYWOG-STZFKDTASA-N 438.480 4.547 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871432462 GOWCBOIAKVXCHH-CFRMEGHHSA-N 445.446 4.970 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871432827 HPFBMFUIAGLWID-YNGKYYQNSA-N 425.437 4.630 30 10 IJEE CCCCCCCCN=c1nc(N(CCC)CCCC)[nH]c(=Nc2cccc(O)c2)[nH]1 1871714692 BLPSOCFJFBKPJC-UHFFFAOYSA-N 428.625 4.954 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871871539 NTYPTFBUQQVFGL-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872106665 LANNQLYIRHKPRD-XXBNENTESA-N 428.598 4.869 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCCC 1872277229 IYNDHBCNNMILSF-FQEVSTJZSA-N 428.598 4.612 30 10 IJEE N#C[C@@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(Br)c2)cs1 1872764629 SLULUEXWLADGDZ-HNNXBMFYSA-N 442.294 4.900 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874222983 MNSMWEZIARHNEV-XQNSMLJCSA-N 439.541 4.755 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1ccccc1O 1874226946 MBELCVIPSISAFG-ZVHZXABRSA-N 436.537 4.678 30 10 IJEE OCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874268255 OOOWWZFZDVYJNC-ZVHZXABRSA-N 438.940 4.630 30 10 IJEE Cc1ccccc1CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccs1 1874333906 AXVUKVFQDILXCN-KCDOPAPYSA-N 439.610 4.547 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)cc1 1874348788 CXJRGNYZYRHNNM-WGOQTCKBSA-N 429.549 4.755 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccs2)o1 1874438145 MGEKJKYDTNMCQS-CIAFOILYSA-N 432.571 4.872 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccs2)cc1 1874454640 RQBJJGSPZLVUGA-LPYMAVHISA-N 425.583 4.919 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 1874455829 MTYOZCFWJSUNJO-KOEQRZSOSA-N 434.565 4.939 30 10 IJEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)c(OC)c1 1874461357 JNZLMIJCSDHDPJ-ZMOGYAJESA-N 436.459 4.531 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(C)cc1 1874480233 OIFKMQIFDJNSLO-DUYBAWCLSA-N 435.597 4.781 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)C)cc(OC)c1OC 1874509948 DCDVZTGDXLNSJQ-ZMOGYAJESA-N 440.569 4.910 30 10 IJEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1COc1ccccc1 1874561129 FLDZRWWZCPUKTG-MFKUBSTISA-N 430.533 4.915 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cccc1OC 1874587368 JOGFBSILVOSLOY-MDZDMXLPSA-N 448.899 4.594 30 10 IJEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 1874620737 QFIOHMDUNODVCG-NTUHNPAUSA-N 443.499 4.934 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874693249 VJLFVXKVXIJMGB-VZUCSPMQSA-N 448.387 4.627 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cnccn2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1875095166 CCLITHRYUVDGGX-WEVVVXLNSA-N 425.400 4.653 30 10 IJEE Cc1cc(Nc2ccc(NC(=O)c3ccnc(C#N)c3)cc2)nc(NC2CCCCC2)n1 1890926234 XMKZGDPJPAVPDO-UHFFFAOYSA-N 427.512 4.792 30 10 IJEE CC1(C)OB([C@@H]2[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]32)OC1(C)C 1953150573 PVAPTBYCWJGXJI-IUTQVRIDSA-N 431.341 4.960 30 10 IJEE COc1cc(C=CC(=O)c2cccc(-n3cnnn3)c2)ccc1OCc1ccc(Cl)cc1 2040454257 MZQZSOHFCXKUHH-UHFFFAOYSA-N 446.894 4.799 30 10 IJEE CC(C)(C)OC(=O)N1CCN(CCCB2OC(C)(C)C(C)(C)O2)[C@H](c2ccccc2)C1 2044527269 CGTSUICTRZMDCM-FQEVSTJZSA-N 430.398 4.763 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)c(F)c1 2080089172 UYGJINYYQNLCGH-CQSZACIVSA-N 432.240 4.929 30 10 IJEE N#Cc1c(C2CCC2)nn2c(Cl)cc(-c3ccccc3I)nc12 2081407884 HKIUTCWSSDNEGC-UHFFFAOYSA-N 434.668 4.793 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2118191457 FOEXZCPNTNHDRI-UONOGXRCSA-N 426.330 4.732 30 10 IJEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1cc(Br)nc(C(C)(C)C)n1 2137394652 ORGITQFXFWQMQS-CYBMUJFWSA-N 428.371 4.632 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3Nc1cc(Br)c(C#N)cc1F 2169552215 PBBKNFCAOJNENC-GEEZAGDFSA-N 436.325 4.516 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3Nc1cc(Br)cc(F)c1C#N 2169560303 OARXZTCBAKTKTM-JDBWBTAQSA-N 436.325 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2c2cc(Br)cc(F)c2C#N)C1 2174770502 XJLMCYYMWMQANI-SUMWQHHRSA-N 438.341 4.686 30 10 IJEE CC1(C)C[C@H](CC(=O)Nc2ccc(Br)cc2C#N)N(C(=O)OC(C)(C)C)C1 2181108621 VBJUFTJSHSJOSI-HNNXBMFYSA-N 436.350 4.685 30 10 IJEE C=CCCCOC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 2243944845 SSGNCQMLNGGQNE-UHFFFAOYSA-N 431.270 4.761 30 10 IJEE O[C@@H](C#Cc1ccccc1Cl)c1cc(I)ccc1Br 2277849526 MZGBNJRTGNPWJV-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@H](O)C#Cc1ccc(Br)cc1 2278790498 NKLFMONIWOWESJ-DLBZAZTESA-N 442.419 4.587 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(N)C#Cc1ccccc1Br 2285907809 AKJSKMJURHWWNO-XYGUIBQMSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@H](O)C#Cc1cccc(Br)c1 2296226619 HEQUJJHUOWUKHH-WOJBJXKFSA-N 428.326 4.528 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296289084 NWMARJZPKDDQNJ-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301437977 SJOFOYPSEGMGCL-YTFSRNRJSA-N 428.617 4.904 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CC[C@@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2301449612 SQRMVSFDXNIADB-RMLDSDBCSA-N 449.360 4.596 30 10 IJEE CSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)C=Cc2ccccc2)n1 2313601971 BYDZRBNNLGFNMN-UHFFFAOYSA-N 438.582 4.759 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317354600 QNLAWYGJJWLFNO-UHFFFAOYSA-N 432.370 4.656 30 10 IJEE O=C(C=Cc1ccc([N+](=O)[O-])s1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2318788192 FFDCIDDTGGDATB-UHFFFAOYSA-N 438.305 4.915 30 10 IJEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1CCOc1ccccc1 2322024076 YHFSFSCWCZOOBR-UHFFFAOYSA-N 444.560 4.958 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN(CCc1cccs1)CO2 2322416461 LNTGFNUUTPJPQQ-UHFFFAOYSA-N 447.512 4.796 30 10 IJEE C[C@@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 2322667297 CLIXADDXESKNIH-LJQANCHMSA-N 443.499 4.610 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2Cl)c(Br)c1OCCCO 2323087703 VEVSYESMVJOGCI-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1OC 2323559929 WDJPWWOIMUBHNJ-UHFFFAOYSA-N 440.569 4.996 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)NC1CCCCC1 2323714027 SXJLMKIYUSGHPT-UHFFFAOYSA-N 437.536 4.818 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2324963211 WMBVWCVXEGQLCD-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE Cc1cc(I)ccc1NC(=O)C(=O)C=Cc1ccc(C(C)C)cc1 2325494409 TYIHTKSBWSLADE-UHFFFAOYSA-N 433.289 4.944 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c1 2325730680 ANHLKTJAJUOFFU-UHFFFAOYSA-N 449.459 4.547 30 10 IJEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)ccc1[N+](=O)[O-] 2325745615 JXVUSJMDKSACJA-UHFFFAOYSA-N 445.427 4.790 30 10 IJEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)o1 2326828646 IOULKZUZBKXZNH-UHFFFAOYSA-N 433.493 4.853 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2328577104 NJNXCTYNDJMJAL-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccncc2)cc1 2328719889 AIVAKLOTECGZLQ-UHFFFAOYSA-N 447.539 4.998 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OC)c(OC)c1 2329837185 UUJUCOALYYNKBU-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(OC)c1OCC 2329853922 BZYRFTWNQSKNQM-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(OC)c(OC)cc1OC 2330120619 QIPHIRVOQMCMLF-MRXNPFEDSA-N 438.553 4.616 30 10 IJEE COCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2331230034 CQYFAXIECSTUIP-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1cccc(Cl)c1 2331734281 FPSFWBHLGKZPLQ-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE CC#CCN(C[C@H](Cc1cccc(F)c1Br)NCCC)C(=O)OC(C)(C)C 2363131915 LMUPMNIXHTVKML-KRWDZBQOSA-N 441.385 4.759 30 10 IJEE N#Cc1cccc(COCc2cc(I)ccc2Br)c1F 2367271372 NQDPNXZUJHZZON-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE C=CC(C)(C)CCN[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2379400102 FOHXIXQFDMGBLE-CQSZACIVSA-N 425.186 4.765 30 10 IJEE O=C(Oc1ccc2c(c1)O/C(=C/C1=Cc3ccccc3OC1)C2=O)c1ccc2c(c1)OCO2 2130646 OZIDDBQPOCEBOI-YSURURNPSA-N 440.407 4.570 30 10 IJEE COc1ccc(C(=O)C[C@H]2S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1 15055004 UZLVCWDOJRQVCX-RXFRQMQLSA-N 448.500 4.516 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 19853351 JCPPORSNWLTPDL-UHFFFAOYSA-N 443.916 4.814 30 10 IJEE CCn1nc(C)c(CN/C(=N\C(=O)c2ccc(C)c(C)c2)Nc2cc(C)ccc2OC)c1C 32971781 GEFQVXRMMQQYEG-UHFFFAOYSA-N 447.583 4.852 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC)cc1 34943671 JTMQNCWBHCYSQH-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1 59019831 GZGPKMOJZZLJCU-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)c1 102710253 IZQSOHCCNUMCAG-VFJWVMJUSA-N 432.476 4.741 30 10 IJEE CCOC(=O)c1sc(N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)nc1C 169941470 HRTKCGZVHVDMPN-CFRMEGHHSA-N 439.537 4.970 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccn2)c1 169990522 DPQAZGFROTUQRQ-QHCPKHFHSA-N 439.471 4.745 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCN(C)CC2)C1=O 170069330 BYAJRHVFMRQMHZ-UHFFFAOYSA-N 446.035 4.808 30 10 IJEE CN(Cc1ccccc1)C1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170072613 IESSVVDHHJLHTD-UHFFFAOYSA-N 427.891 4.628 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170094485 FDZZBATVVMGYAU-QFIPXVFZSA-N 441.443 4.502 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@H]3c3cccs3)ccc2O1 170161262 IGXJXHNUCAWMEY-PEBXRYMYSA-N 442.496 4.726 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170178693 PPMCATGVGQMBHV-IBGZPJMESA-N 440.286 4.562 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccncc2)cc1C(C)C 170201532 JUNTYKCXVZLUOM-QHCPKHFHSA-N 444.487 4.702 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1ccc(Cl)cc1 170236203 FQCAQOHGAWIEMF-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(O)c1 170257748 GROKTTWTEATOJK-QFIPXVFZSA-N 447.462 4.940 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(C)c2)cc1Cl 170343226 MWYZGLWKSJVFPT-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccncc1)c1ccccc1 170359245 OKRDQZRZTHAQDD-IBGZPJMESA-N 435.277 4.627 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(N(C)C)cc1 170412443 IGNIEXPBEXMIKO-JOCHJYFZSA-N 448.544 4.601 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N\N=C/c3cccs3)N(Cc3ccco3)C2=O)cc1 210561469 ZHBDBTOGEBCNEL-IZXFVBNXSA-N 436.562 4.914 30 10 IJEE CC(=NOCc1nc2ccccc2c(=O)n1N=Cc1c[nH]c2ccccc12)c1ccccc1 254403006 PVAXKQVWAZOWAF-UHFFFAOYSA-N 435.487 4.701 30 10 IJEE CCN=c1scc(C)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 254737699 WXZYTQDLMPVSAQ-UHFFFAOYSA-N 447.564 4.531 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)Nc2ccc(O)cc2)CC1 508843126 BDYDKTHOJMGVCU-UHFFFAOYSA-N 437.588 4.538 30 10 IJEE CN(Cc1ccccc1)C1=C(Sc2ccccc2)C(=O)N(c2ccccc2C#N)C1=O 526682798 JNEVXXMFNVJUNB-UHFFFAOYSA-N 425.513 4.567 30 10 IJEE C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OCC(F)(F)F)cc1 538161910 FGAAZFHXLWDEHD-QWHCGFSZSA-N 437.487 4.727 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 558983836 CJPLUQSVYFSUSS-NQIIRXRSSA-N 446.530 4.934 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccsc2)C1 563228235 SJTKBTUTWUAZHF-UZLBHIALSA-N 428.533 4.773 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 568074920 RLHHEXJKCXYNOL-QFIPXVFZSA-N 438.959 4.685 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1ccccc1 585254374 XPOZRWGFRCJTIS-UHFFFAOYSA-N 437.417 4.749 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 586508097 IIOOMRVEEVJPMD-UHFFFAOYSA-N 429.582 4.739 30 10 IJEE C=C(C)CN=c1scc(-c2cc(OC)ccc2OC)n1N=C(C)c1ccc(C#N)cc1 606347924 MANVRYYKIXLAQL-UHFFFAOYSA-N 432.549 4.855 30 10 IJEE Cc1occc1C(=O)NC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 608949053 HNNZWOGGWFPIDN-UHFFFAOYSA-N 445.544 4.646 30 10 IJEE Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccc(C#N)cc3F)[C@H]2c2cccs2)cc1 729832629 BJDGLQPFWGFBOL-YKSBVNFPSA-N 447.535 4.868 30 10 IJEE Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732649001 YWTVBASLIHYWQV-HWYOBBEWSA-N 448.570 4.842 30 10 IJEE Cc1ccc(O[C@H](C)C(=O)OCc2cc(Cl)ccc2OCC#N)c(Br)c1 735345054 OKUWFTITXHKKTM-CYBMUJFWSA-N 438.705 4.824 30 10 IJEE Cc1cnc(O)n1-c1ccc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 761831422 PWPVTJNCXYFYSC-UHFFFAOYSA-N 436.431 4.662 30 10 IJEE C=CCOc1cccnc1C(=O)OC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 775240001 HSNMJAWZUWXSBV-DYESRHJHSA-N 434.458 4.905 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 798816379 KTXYHRMIYLTETG-LIRRHRJNSA-N 443.341 4.689 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 814635490 CIRYMTPENIIHBC-VQIMIIECSA-N 444.601 4.849 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(NC(=O)C(C)C)ccc1Cl 1124608318 XWTKVLKXGANAGL-UHFFFAOYSA-N 445.899 4.677 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)nc2)CCCN1C(=O)OC(C)(C)C 1125248927 IMMVYTWLAMXBQF-VWLOTQADSA-N 437.540 4.945 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2nnn(Cc3ccc(F)cc3F)c2C)c1 1125779409 RFEFCCQAHZPYGG-UHFFFAOYSA-N 442.469 4.741 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cnn(-c3ccccc3F)c2C)CCCN1C(=O)OC(C)(C)C 1127370070 YXWFGEZTMNLCKT-QHCPKHFHSA-N 428.508 4.604 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]21 1128908038 UMAUCMSMZXSSKX-NJDAHSKKSA-N 428.374 4.717 30 10 IJEE C#C[C@@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccc(Br)cc1 1129731057 PXELMUAQFGVXMF-GOSISDBHSA-N 431.305 4.677 30 10 IJEE CC(C)[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)N1C[C@H](C)O[C@H](C)C1 1137036632 BAUZWXRYCPYIPT-SAHWJRBASA-N 425.504 4.562 30 10 IJEE C=C[C@H](C)ONC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1144590297 YXNJWKARYNQZSV-RBUKOAKNSA-N 434.536 4.660 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 1148055237 HGXYSGRZXCXJET-LJQANCHMSA-N 444.478 4.680 30 10 IJEE C#C[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc12)c1ccc(Cl)cc1F 1157507889 KJRFEFBNMROHLB-OAHLLOKOSA-N 433.664 4.600 30 10 IJEE C=CCC[C@H](C(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1)c1ccccc1 1158326238 VHSMGPZFDZSBGI-FPOVZHCZSA-N 430.386 4.775 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@H](c4cccc(OC(F)(F)F)c4)C3)cc21 1209774444 NQNVVBGMCFRNBR-FQEVSTJZSA-N 446.429 4.726 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 1218892075 OCOWOUJQZBYKBT-IBGZPJMESA-N 430.508 4.542 30 10 IJEE Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 1221718942 FEHXLQFTDBETFO-WTIAFYNJSA-N 436.987 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(c2ccc(Br)cc2)CCCCC1 1222276580 CZHFLIMQVCVCEU-PXNSSMCTSA-N 435.406 4.931 30 10 IJEE C=CCC1(CNC(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)CCCC1 1248675265 RYLPCACIUATGQS-JXAWBTAJSA-N 447.988 4.812 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](C)Oc2cccc(Br)c2)cc1OC 1265581143 RKFQSPGERHVDOG-SLWQEBJJSA-N 446.341 4.619 30 10 IJEE C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1268941089 HGFNCGNATPBJTC-GOEBONIOSA-N 429.948 4.952 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 1271480399 GBSMAFSCFOQMRP-GFCCVEGCSA-N 427.327 4.657 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cc1 1272273987 ADJAIFMWVRNLHF-UHFFFAOYSA-N 440.515 4.865 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H](OCC)C1CCCC1 1286286337 WQPUICAZZLZXGU-YKSBVNFPSA-N 446.599 4.574 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)Oc1ccc(F)cc1 1286365755 IPURZXOQJPIVIJ-SJORKVTESA-N 438.572 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1Cc1ccc(-n2ccnc2C)nc1 1286572078 YTBGQEIUVGTCBX-UHFFFAOYSA-N 447.974 4.938 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1286649998 TYYMGOWEPYMJPY-VQTJNVASSA-N 444.023 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C2CCCCC2)CC1 1286656772 VOXHXQFJZHEDAW-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286667676 TUDRVBUHJKGOAH-IBGZPJMESA-N 441.595 4.886 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H](C)c1nccs1 1286692220 BHGOGJNWMPQBHP-QGZVFWFLSA-N 433.585 4.998 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1286693109 LULAZZNRZIXIOL-LJQANCHMSA-N 429.996 4.700 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cccc(C)c1 1286775036 VTGRPUURUPMXRW-UHFFFAOYSA-N 425.577 4.523 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)Cc3cc(Cl)ccn3)nnc2C(C)(C)C)cc1 1286797493 XYEWETQRFCZKQV-UHFFFAOYSA-N 425.964 4.874 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1287138482 HPNDTJDWORZJFR-UHFFFAOYSA-N 431.588 4.616 30 10 IJEE C#CCN(C(=O)c1cnc(NCC)c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1293513338 DZOBXMJNYZKKET-QGZVFWFLSA-N 448.748 4.529 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC2=CCCCC2)CC1 1300690560 MXUCBTHFKWDVJF-UHFFFAOYSA-N 444.410 4.898 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)CCC 1300742624 POPOUEUWNYLCAB-INIZCTEOSA-N 435.435 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C(C)C)N(CC=C)CC=C 1300798659 QDWIWDWOHQELDQ-RPLLCQBOSA-N 442.611 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)[C@@H](C)CC 1300904606 BXUQUQWFHWHBOZ-HRAATJIYSA-N 435.410 4.907 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)C[C@H]1CCCO1 1300979914 IGDXZBIYPKDOPU-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2nccs2)CC1 1301072088 CWUYEGCBHDLEJD-UHFFFAOYSA-N 436.404 4.625 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2csc(C)c2)CC1 1301097229 SKBJWOSLPARYFI-KDURUIRLSA-N 443.617 4.623 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CCOC)CC2)CC1 1301114427 SNCJHCOGSHDXJQ-UHFFFAOYSA-N 430.980 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1301135070 GAQZVNFFLBHRMG-LJQANCHMSA-N 425.577 4.613 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCCC[C@H]2C1 1301176571 DWBYBTGTFDRGGU-IBGZPJMESA-N 429.996 4.638 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1301187106 QBQIMCROWWCDFV-UHFFFAOYSA-N 442.007 4.908 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1301216665 OWXNQXKUCXKNIT-UHFFFAOYSA-N 425.577 4.610 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1301225970 OGTCEBLZLGTXQD-FQEVSTJZSA-N 437.613 4.993 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC1CC(OC(C)(C)C)C1 1301270933 QWXGWODLHVTWSR-UHFFFAOYSA-N 436.398 4.642 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCO[C@@H]1CCCC[C@@H]1C 1301278442 MDWAQGKVDBILGD-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC(CN(C)CCCC)CC1 1301434040 CLXZBQBOYVZFJA-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(Cc1cccs1)C(C)C 1301531815 YKNKDUKPLWFWGW-FQEVSTJZSA-N 438.597 4.872 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C2CC(C(C)(C)C)C2)C1 1301566644 RLPHLSOKAIHWJW-CNBHCMJISA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1301611446 MPZAQIQPKYRGCX-UHFFFAOYSA-N 438.645 4.895 30 10 IJEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CCCC2)CCO1 1306630418 ALGVVBIKVCQEAD-JOCHJYFZSA-N 437.588 4.704 30 10 IJEE C=CCn1c(SCc2cccc(OC(C)(C)C)n2)nc2sc3c(c2c1=O)CCC3 1307259170 QEGNSYXCTMCXCQ-UHFFFAOYSA-N 427.595 4.997 30 10 IJEE C=CCOc1ccc(CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C(C)(C)C)cc1 1307567700 MCYOVFXYDYEOMR-UHFFFAOYSA-N 436.535 4.702 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)cc1 1310167543 BOEGZOCZEJZTHS-HXUWFJFHSA-N 442.357 4.954 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1310372894 XYSMJEOFZDUDMP-NRFANRHFSA-N 448.494 4.960 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2)[C@@H]1CCCc2ccccc21 1312135701 REBZECOCASKUOY-NLSFWIRASA-N 431.536 4.580 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1312538474 ZIDWVYQKTHBVCY-MGPUTAFESA-N 437.531 4.917 30 10 IJEE CN(C)[C@H](Cn1c(N(Cc2ccc(C#N)cc2)C2CC2)nnc1C(C)(C)C)c1ccco1 1314653634 GGRVKNFJALEUBF-OAQYLSRUSA-N 432.572 4.512 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H](C)CC#N 1315690632 GYMIBWBULFGFBI-TUNNFDKTSA-N 439.604 4.842 30 10 IJEE C=C[C@@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 1347777873 XYGMOSUDMGDTEH-INIZCTEOSA-N 433.430 4.622 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 1349910671 MOZZGKFCYSCEGS-OAQYLSRUSA-N 436.936 4.667 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1 1352514399 UIWABXVZIHPQQL-CALCHBBNSA-N 446.469 4.973 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](OC(C)(C)C)C1 1358915348 AHGGDEKWHAQQOG-QFIPXVFZSA-N 433.600 4.869 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(NC(C)C)CC1 1358922855 UJVGDWDXEGJFGL-UHFFFAOYSA-N 425.646 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCSC 1358984722 FGTUGSNFESSSDQ-LJQANCHMSA-N 445.032 4.904 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCC2(CCCCC2)O1 1358996354 BSKGNZFHEICNRJ-RUZDIDTESA-N 444.623 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC[C@@H]1C 1359094997 IWJFFXFNZOGIMG-FTRWYGJKSA-N 449.020 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1359109600 HUMSKYXTHDHKDK-NFBKMPQASA-N 442.604 4.816 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)C1CCCCC1 1359129694 KCWDIZFVDUAQHJ-SFHVURJKSA-N 426.561 4.672 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1359135049 QMNUKPXWHCIKEF-YLJYHZDGSA-N 444.626 4.551 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1359155551 BTZXDIUBNHMNCF-PMACEKPBSA-N 430.980 4.702 30 10 IJEE C=C(Cl)Cn1c(N2CCO[C@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C 1359157187 BABMGIZMDMNQAU-INIZCTEOSA-N 439.785 4.669 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1359176887 RNPKWJSINUTGCQ-NRFANRHFSA-N 425.596 4.855 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](CC)N2CCCC2)CC1 1359179786 GNWWYOTWLIABFK-QFIPXVFZSA-N 428.024 4.799 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359188284 KPJNEFWYSPPIIS-QUCCMNQESA-N 430.980 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359189166 CGZWMHHSYRZUJX-NRFANRHFSA-N 426.580 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359190112 FIEULDKHAPBWEF-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1359206104 UQLUJFMBDHRHIV-MOPGFXCFSA-N 427.618 4.642 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2ccccc2F)C1 1359322664 AAEVWWUMAJJZAJ-IBGZPJMESA-N 440.588 4.829 30 10 IJEE C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 1359348130 AJQKRIIGHSWACM-PDGQHHTCSA-N 429.549 4.983 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1359765998 GKVKOPHASPNVCF-RLWLMLJZSA-N 445.615 4.600 30 10 IJEE C#CCN(C(=O)Cn1cc(C)c2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 1360557334 VGEQNMLURZUECI-OAQYLSRUSA-N 437.337 4.698 30 10 IJEE COc1cccc(CN2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)c1 1438145603 GBULCHMLCUCCIU-UHFFFAOYSA-N 443.572 4.676 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1 1440890927 BHJBAZGVABGJQH-MRXNPFEDSA-N 438.528 4.832 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 1448875321 NRTGSDFFINAJSE-UHFFFAOYSA-N 433.961 4.979 30 10 IJEE CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1457502273 HRYKCNJXQVVMSQ-KXBFYZLASA-N 442.585 4.874 30 10 IJEE C=CCC1(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CCCCC1 1460093420 MZYSOGOLFOTCTB-UHFFFAOYSA-N 431.514 4.648 30 10 IJEE CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1 1464383842 BOMWUHVDUROYRN-UHFFFAOYSA-N 430.888 4.964 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)C(C)C 1464869765 KFYNHLMUPZMFFU-OAQYLSRUSA-N 443.975 4.535 30 10 IJEE C#CC[C@@H](COC)NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 1465970047 HQTCHWXGYBWJBT-IBGZPJMESA-N 439.581 4.509 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(Cn2cccn2)c1 1476729393 UCTAEUCAGZBCOR-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(Br)cc1OC)c1ccc(Cl)cc1F 1478447134 FHDIRHVQIYZMKY-PIGZYNQJSA-N 439.712 4.985 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)OCCc2sccc21 1507528604 UTESCDTXBUUWCH-OYHNWAKOSA-N 426.973 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)c1c(C)noc1C 1507664238 IKHWYSRVIUAWNG-OAHLLOKOSA-N 439.922 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCc1nc(C(C)(C)C)cs1 1507763132 OCMSHRYWXREYJY-RUZDIDTESA-N 449.624 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1507805665 KUGUBYVRLKJLDI-RQTOMXEWSA-N 447.583 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCC(=O)NC1CC1 1507815825 TWHDPJOJPPBXHK-KRWDZBQOSA-N 441.645 4.593 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1507827259 CNYWDJMWAQKCKZ-XHDPSFHLSA-N 435.277 4.984 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2CCCCO2)CC1 1507908681 BAQFSFSWLDXIGK-HXUWFJFHSA-N 430.980 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1507912440 OHRXVGXMOQGXTM-UHFFFAOYSA-N 442.567 4.862 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cnc(C)s1 1507958839 ZGMJKPQUSIVLNF-UHFFFAOYSA-N 448.596 4.796 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1507990898 PFBMXODVUVIOEQ-RTBURBONSA-N 440.588 4.711 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)(C)C)nc1 1513110398 CKLHPLLWBDOYEX-SFHVURJKSA-N 432.572 4.920 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(Br)c2)CCCC1 1518995110 DMNUGSQDZFPDEE-INIZCTEOSA-N 427.342 4.716 30 10 IJEE C=CCC1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)CCCC1 1521315741 CLAYQRVRPPXKHR-HXUWFJFHSA-N 434.580 4.953 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc3ccccc3c2OC)nnc1-c1ccco1 1526020264 LWWJSBISFPYQEE-UHFFFAOYSA-N 435.505 4.974 30 10 IJEE CCn1c(SCC(=O)N(C)[C@H](C)c2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 1526207612 AMVBTNKKLCZAOK-OAHLLOKOSA-N 439.972 4.802 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)C1 1526843083 MSJIVNHGPCLWFB-INIZCTEOSA-N 434.367 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCCSC 1539541371 GAWFHMHQVZZKSN-XMMPIXPASA-N 434.613 4.861 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2csc(C)n2)CC1 1539829453 ZBSDMBDZJZXGTD-INIZCTEOSA-N 427.549 4.721 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cn(CCCC)nc2C)CC1 1539855934 NJGICBKUHABFQE-UHFFFAOYSA-N 448.615 4.984 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1539953364 QNRIJUUXVYOHDJ-MJGOQNOKSA-N 431.531 4.576 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](OCC)C1 1540029735 XSYDLGUISNMKRY-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1540088467 DUNCCPCLMSLMQA-CUNXSJBXSA-N 449.595 4.870 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCS1 1540187929 YEPOIPUFDJYIPL-FQEVSTJZSA-N 426.561 4.732 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCO[C@@H]2CCCC[C@H]2C)C1 1540888513 RITLHQFCYYBGPF-WOIUINJBSA-N 445.007 4.975 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1 1542328684 ZFCZLTGOEWXMPM-UHFFFAOYSA-N 431.941 4.711 30 10 IJEE C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)C1 1544107076 ACKVNEITNDNCBQ-CQSZACIVSA-N 442.386 4.925 30 10 IJEE C#CCC1(NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)CCOCC1 1558418921 VRSJHBGAZQWBBL-UHFFFAOYSA-N 436.939 4.676 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1ccccc1O[C@@H](C)C(=O)OC 1560629986 JNHPHSMSFGHSCU-HNNXBMFYSA-N 436.321 4.717 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)C1 1562866362 QOUDHQIMHWKBTP-SFHVURJKSA-N 443.569 4.624 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H](OCC)C1(C)C 1567637314 NPNLBOKNDAQWIC-CPJSRVTESA-N 446.588 4.621 30 10 IJEE C=C[C@H](CC)CC(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1585080762 ZSSPBWKOMNORGB-VAMGGRTRSA-N 428.573 4.745 30 10 IJEE O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 1587259024 BIITWKDYFRADKZ-UHFFFAOYSA-N 434.355 4.821 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1587793475 NZFXZCWSEGXJMZ-XLIONFOSSA-N 433.021 4.889 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCSC1 1588089005 FJMUPTRHMMWSAG-QFIPXVFZSA-N 443.620 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1cccs1)N(C)C 1588194413 VUHPIRXASNQTPH-HXUWFJFHSA-N 443.576 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1nccs1 1589150829 LXSQAFRSYJCNLH-YGKZAACZSA-N 439.560 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)c1ccc(F)cc1 1589178185 UWXTYVPDORPSLZ-AUSIDOKSSA-N 439.922 4.512 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@@H](C)C1 1594572475 BTKGKLUPBOZTPU-GJZGRUSLSA-N 437.357 4.817 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@@H](COC)C1 1594572575 FXGVJSPVHLCOLD-MRXNPFEDSA-N 436.398 4.645 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1594720509 NYZKGKNYNXYKOA-KRWDZBQOSA-N 429.977 4.908 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1594727613 RRTIXKVSGWFHJM-SFHVURJKSA-N 429.996 4.873 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1594783605 FYBZGLBHMVGDPW-IECBHUPTSA-N 428.552 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H]1CCO[C@@H](C)C1 1594907099 OSLFRKDIIPVZCW-IRXDYDNUSA-N 433.394 4.843 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)N1CCCCC1)C1CC1 1595064865 CGSHGVYZQZKMLQ-UHFFFAOYSA-N 437.632 4.893 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(C)C)C1 1595679829 CEEOIUJTECJVIM-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(Br)cs2)C1 1595729515 NCERRRVZRMUKIP-OAHLLOKOSA-N 439.423 4.520 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1595878030 GOKXLBWTUMSRLS-FQEVSTJZSA-N 434.556 4.711 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@@H](O)C2)C1 1611764972 BURUGYDQQJUUMN-LBUQITIBSA-N 448.398 4.933 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(Br)c(C)c3)nnc12 1613157583 ONQPGEBAJCBLOM-UHFFFAOYSA-N 441.354 4.593 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 1623990749 ZLSMRCNGWDIHGQ-LJQANCHMSA-N 428.916 4.622 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 1627351032 MXZSVXNZBNJOMC-FCHUYYIVSA-N 447.000 4.651 30 10 IJEE C=C(CC)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1OC 1628347802 RPUCURISVQNCMB-UHFFFAOYSA-N 444.553 4.567 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@@H]2[C@H](O)c2ccccc2)s1 1631507225 CDWONQIMGCZPDE-YLJYHZDGSA-N 437.030 4.953 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(F)c(F)c1 1634434339 ASUVUKIAWAWGOZ-QFIPXVFZSA-N 448.535 4.538 30 10 IJEE C=C(C)[C@H](NC(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(F)c(F)c1 1634438280 AJUAELICPDGBJI-IBGZPJMESA-N 425.401 4.789 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1635761509 BEVWPDMYVURDME-LOSJGSFVSA-N 440.031 4.522 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1639016042 KYKYKWHGUSUVJI-QFIPXVFZSA-N 429.605 4.854 30 10 IJEE C#C[C@H]1CC[C@H](Nc2nc(CN3CCCCC3)nc3sc(C(=O)OCC)c(C)c23)CC1 1640360710 DPGKCLPWHPUNQR-IYARVYRRSA-N 440.613 4.766 30 10 IJEE C#Cc1ccc(C(=O)N2CCCn3cc(-c4cccc(NC(=O)OC(C)(C)C)c4)nc32)cc1 1640992180 NBLVSGVLQSXWHM-UHFFFAOYSA-N 442.519 4.929 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2cccc(COC(C)C)c2)Cc2cccs2)c1 1642177938 STTPRCMOHDPQDG-UHFFFAOYSA-N 432.589 4.977 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(Cl)c1 1642940553 DOYCNVASHPHOTR-HRAATJIYSA-N 431.367 4.511 30 10 IJEE C#CCOCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 1648265062 XQEKTQCNQCHUPJ-ZZEZOPTASA-N 428.507 4.973 30 10 IJEE CCOC(=O)c1sc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc1C 1651990729 GCAIGVPHHNJIKJ-LBPRGKRZSA-N 435.596 4.611 30 10 IJEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1Cc1ccc(Br)cc1C#N 1653975311 CZIGBTKIMHKTFR-MRXNPFEDSA-N 448.405 4.932 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](COC)c2ccc(F)c(F)c2)cc1OC 1657066756 OKPJKQZRVWNZPA-SFHVURJKSA-N 442.300 4.778 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OCCN2CC[C@H](C)C2)cc1 1657336775 BCTZJIHNFNDQDR-SFHVURJKSA-N 443.385 4.794 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(F)c(Cl)c1 1661282542 UILDGNCRXYUHEH-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)c1ccc(Cl)cc1F 1663279361 HJGCHCCNAJGETN-CQSZACIVSA-N 437.117 4.548 30 10 IJEE C=CC(C)(C)CCCNC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 1665643500 XDXMBAPOZSDEHN-UHFFFAOYSA-N 434.628 4.800 30 10 IJEE COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2ccccc2CC#N)c1 1668230185 CULFNOWSIVOBGQ-ILBGXUMGSA-N 432.545 4.681 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1oc2ccccc2c1Br 1668675063 RKWMISFKMJWDEQ-UHFFFAOYSA-N 436.327 4.894 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1 1668825477 ZPKXEXAMLANKIE-CTNGQTDRSA-N 434.342 4.771 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 1671946719 FMXLWXQUAUEANK-UHFFFAOYSA-N 438.959 4.905 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(Br)cc1 1674026028 QNVGZCIOERMLFP-FUHWJXTLSA-N 437.341 4.589 30 10 IJEE C#C[C@H](NC(=O)NCCOc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1676835850 UWGPZQPJXSGINR-KRWDZBQOSA-N 441.247 4.520 30 10 IJEE C=CCN1CCC(NC(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1677123759 HOHASAWVNWCZGC-UHFFFAOYSA-N 433.474 4.947 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 1678439068 OACYWZLELQSKLJ-UHFFFAOYSA-N 441.019 4.640 30 10 IJEE C=C(C)CN1CCC(NC(=O)NC2(c3ccccc3Br)CCCCC2)CC1 1678668886 XSCUQKGJFKILDA-UHFFFAOYSA-N 434.422 4.948 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1680855607 NZBCVFCCSPQFIQ-RHSMWYFYSA-N 429.483 4.925 30 10 IJEE C#CCN(C(=O)NC[C@H](SC)C(C)(C)C)[C@H]1CCOc2ccc(Br)cc21 1681306377 QRFAQTPYZJAWHJ-WMZOPIPTSA-N 439.419 4.695 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1 1683733722 JIEFJNGSQKQAES-HSZRJFAPSA-N 439.987 4.834 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@@H](F)C1 1689950815 CEGIZQMWCXVUIG-GXTWGEPZSA-N 425.733 4.569 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)c1c(C)noc1C 1689975480 YHGDUGPTAWCTDK-ZDUSSCGKSA-N 448.354 4.642 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCN1C1CC1 1690083712 MGRQEBDVRTULMY-QHCPKHFHSA-N 449.643 4.765 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)CCc1ccc(Br)cc1 1690172428 FQQZZMBKJYDDIV-UHFFFAOYSA-N 447.446 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CC(C)(C)NC(=O)OC(C)(C)C 1690200313 SADBMZHJYIMCBN-RUZDIDTESA-N 437.588 4.549 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690412040 BIIZVJVHMAGKNZ-QHCPKHFHSA-N 427.612 4.777 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1690437917 UBMDYFXPAWXXLP-NRFANRHFSA-N 426.605 4.937 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1CC 1690524016 WVLAHBSHAPYPJF-RTBURBONSA-N 434.588 4.514 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1Cc1ncccc1C 1690561050 APUXCPFQLSXKRH-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCCc1cccc(C)n1 1690565964 YYYWNPHVYLTXDY-HSZRJFAPSA-N 431.584 4.701 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(C)CC1)C(C)C 1690581228 NMVRTRIYGBIOLA-NRFANRHFSA-N 441.023 4.849 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1690663817 FDQTXJSHXGJYEH-IRLDBZIGSA-N 435.616 4.704 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H]1C)C(C)(C)C 1698356677 GHTXSIJEVHPYHQ-SQGPQFPESA-N 427.618 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(OCC)CCCC1 1705485261 GXAOFDCCYTYSNQ-IBGZPJMESA-N 440.588 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCOC1CCCCC1 1705599351 MCZAQYGMLVNUQE-UHFFFAOYSA-N 439.003 4.725 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCc1ccsc1 1705678395 ZIILPASWELZADE-XMMPIXPASA-N 436.581 4.552 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)C1CC1 1705694803 FMLBMXJDGBGNOG-AUUYWEPGSA-N 449.368 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)C1CCC1 1705697758 NICKFYNRCSEUIQ-APWZRJJASA-N 431.378 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCn2cc(C)nc21 1705720020 UVSSMOXWGHYFTB-QFIPXVFZSA-N 448.615 4.904 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2cccs2)N(C)C)CC1 1705782952 NBWHGVDXZCWHGV-QFIPXVFZSA-N 435.641 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC#N)CC1 1705789248 DPEOGVRYQXMSDK-UHFFFAOYSA-N 429.572 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1ccc(OCc2ccccn2)cc1 1705864051 PJEQEAQLJNLQNK-UHFFFAOYSA-N 431.565 4.863 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)c1ccc(F)cc1 1705876998 QRYWSOAYCOCHIM-YPAWHYETSA-N 442.579 4.902 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2ccncc2)C1 1705921458 SHYUSNIUCASDHJ-SFHVURJKSA-N 444.366 4.671 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1705944394 FFVYPFAHGVGPTG-LEWJYISDSA-N 437.613 4.520 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCc2cccnc21 1722393113 RRCHAYOEJLELRV-LJQANCHMSA-N 447.945 4.716 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1ncc(C)s1 1722416372 LMUOSVNCMICFDJ-QGZVFWFLSA-N 425.627 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCC(C)CC2)nc1 1722515076 HNRAERWSPFATIV-QFIPXVFZSA-N 438.620 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(COCC(F)(F)F)cc1 1722526781 LRNLRZNSRRQKCQ-UHFFFAOYSA-N 445.489 4.870 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722657513 DERWKDDDGGKUSZ-LJQANCHMSA-N 433.522 4.622 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(OC)C1CC1 1722661371 CHIAAYYMMAPMFK-XMMPIXPASA-N 433.581 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)N1CCC(C)CC1 1722666253 MDKDEPZBYNEJQN-OAQYLSRUSA-N 430.600 4.792 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@@H]2CC)C1 1722723187 WJZVYIJDRJEWJK-CNNODRBYSA-N 428.552 4.604 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N 1728730144 AEMHDUVOGMFERX-CQSZACIVSA-N 440.375 4.575 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1ccc(C)cc1OCC(F)(F)F 1740645708 KRFAMIFFHAVEIS-GOSISDBHSA-N 432.490 4.552 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC1CCN(CC)CC1 1740733463 DZORJCREUHUQBE-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](C(CC)CC)N(C)C 1740734462 FYZHAUJXNDHSFX-ZEQKJWHPSA-N 437.632 4.524 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740807932 SDYIDUPIZBTEQL-OAHLLOKOSA-N 447.345 4.600 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740869273 IAKBPQMOEUCMLV-RTBURBONSA-N 443.592 4.942 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740869801 ZZRYIUQXACWALE-MJGOQNOKSA-N 444.421 4.655 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740869806 ABFSNSBTOPXUCW-KUHUBIRLSA-N 449.368 4.817 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(C)C)CC1 1740998509 PLUXWJSWPFRWAR-UHFFFAOYSA-N 438.016 4.624 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(Br)s1 1741006496 KGJBUHZBRCLFEY-CQSZACIVSA-N 443.436 4.509 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(SC)cc1 1748689707 GYJUKSVNHNNYCE-DUXKGJEZSA-N 426.630 4.619 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1748702998 TUCATRPGHKZVOA-QFIPXVFZSA-N 449.643 4.690 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC(C)C)C(C)C 1749136752 RJDHTACDAPLLIA-XUZZJYLKSA-N 437.588 4.581 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749392927 DZDDMTCTSRNSFZ-QFIPXVFZSA-N 442.604 4.960 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1c(C)cccc1C 1749467264 LFJHXKKPOWCUON-UHFFFAOYSA-N 428.378 4.528 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1ncc(C)s1 1749536171 CILZZLLLWIPPBJ-LAUBAEHRSA-N 448.596 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCC1CCN(CC)CC1 1749551298 VSAQBKIIWZWKOP-UHFFFAOYSA-N 438.645 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1C[C@@H](C)O[C@H](C)C1 1749573636 RMDDWIJRQSOJPI-RTBURBONSA-N 433.556 4.982 30 10 IJEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCc1cc2ccccc2s1 1749599944 ONWTWZKHUPTBAY-HXUWFJFHSA-N 426.586 4.616 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1749690059 MHCOZSBFWWWJGU-QFIPXVFZSA-N 437.632 4.544 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCN1CC 1760098546 UDQDKGWDQPYNIQ-QKNQBKEWSA-N 444.023 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(C)C1 1760315862 JTKNRGZMBQJWDA-KNKQGSTJSA-N 426.536 4.695 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1760352632 UJFAMORKBSEQGY-UZLBHIALSA-N 436.959 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1760410750 PKCXGDSGMCNUOA-UHFFFAOYSA-N 435.572 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760413993 AUDOXIXSEKEQPO-IBGZPJMESA-N 449.603 4.757 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760426964 JRJAVXAYNWOHIQ-UHFFFAOYSA-N 432.616 4.955 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)C(C)C)C1CC1 1760469559 JSWYQZBBOZWOEG-NRFANRHFSA-N 433.394 4.578 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ncnn1C(C)(C)C)C1CC1 1760471179 OPOUFHAGFGKTKT-IBGZPJMESA-N 449.603 4.585 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1760478677 OVRPXGJRZSMCLZ-MIZPHKNDSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN1CCCCC1 1760484205 QEJQXXZALPNDAV-NZQKXSOJSA-N 441.595 4.583 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C/CC 1760486997 GYAYYIFYHKCNAT-AATRIKPKSA-N 449.628 4.672 30 10 IJEE CC(C)Oc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)CC#N)cc1 1761297034 FVLPWVFSDRHPTF-VLCRHTCISA-N 439.604 4.771 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1 1772758700 BJUMHVWILOJOPT-KOVAUFKDSA-N 430.533 4.852 30 10 IJEE CCOc1cc(C(=O)ON=C2CCN(Cc3ccccc3)CC2)cc(OCC)c1OCC 1860468951 ZSYKNIBLQCCDJG-UHFFFAOYSA-N 440.540 4.692 30 10 IJEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)Nc2ccc(Cl)c(Cl)c2)CC1 1860591739 AWBIDLDLHSYQAV-OAQYLSRUSA-N 435.351 4.681 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(O)c1 1862467982 FRTHENJRZICACS-IBGZPJMESA-N 444.325 4.779 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc3ccccc23)cc1 1862481192 YVVNKMWEKSTXTM-DEOSSOPVSA-N 429.516 4.889 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862510116 WVIUNOXKHIYLMS-HJPURHCSSA-N 436.527 4.893 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1862547087 MGIDEFUCWRLBLU-QHCPKHFHSA-N 446.503 4.995 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862557182 FLYIFKDHMBCYLA-JOCHJYFZSA-N 447.491 4.646 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862560482 IQOUVXCVDWRIIB-JOCHJYFZSA-N 432.907 4.743 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1c(Cl)cccc1Cl 1862578632 GNYJJVCAPVYPKK-GOSISDBHSA-N 436.291 4.609 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2)cc1F 1862636448 HQZGBXAVDJXYND-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)cc1 1863320751 GSHMBPMGEJVLJL-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(=O)c3cc(Cl)ccc3[nH]2)c1 1866498363 IJXQOASLOZYVIJ-UHFFFAOYSA-N 441.874 4.845 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3cccnc3)C2)nc(-c2ccc(Cl)cc2)n1 1869263688 LHWRBYNXKQBFCY-JOCHJYFZSA-N 447.970 4.948 30 10 IJEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)CCc1ccc(Cl)cc1 1870156017 RMUMWXKYVRQROE-UHFFFAOYSA-N 441.922 4.954 30 10 IJEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN2CCCCCC2)cc1=O 1870416926 VWPVEERIJTXKES-UHFFFAOYSA-N 428.621 4.860 30 10 IJEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccccc2CC)cc1=O 1870812970 QMGGYTMCBKFHIW-DEOSSOPVSA-N 438.955 4.975 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(NC(C)=O)c4)c3C)C2=O)cc1 1871364468 FHILGHLJPQBTDU-QRVIBDJDSA-N 443.455 4.797 30 10 IJEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871365652 CGPQCUWINMHXRM-SXGWCWSVSA-N 440.710 4.953 30 10 IJEE Cc1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871377546 QAIKSJMBNVLNAF-FVDLKSAPSA-N 428.400 4.533 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871390410 VFCBCHMTGOQHIG-CFRMEGHHSA-N 443.455 4.513 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872304175 NTQPMIICTRSEDB-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)s2)cs1 1872789928 ZDTPTXLIQNQOHM-CABCVRRESA-N 441.965 4.750 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874304412 XKVMOUJJFBYRIG-LFVJCYFKSA-N 440.569 4.756 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874349875 JENCCWUCMNQQQU-AFUMVMLFSA-N 431.565 4.920 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc[nH]1 1874392387 KOFMVTCGMJYNLL-JOBSNELWSA-N 448.527 4.510 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc2ccccc12 1874417748 RFSVBIWGJJCXKB-WPWMEQJKSA-N 443.576 4.523 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCCO)nnc2-c2cccs2)cc1 1874424468 MVQUPGSJFIRGRB-CJLVFECKSA-N 430.599 4.932 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 1874452496 YGNBSSWVUWKIDV-PCLIKHOPSA-N 449.580 4.947 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1/N=C/c1c(F)cccc1Cl 1874522318 NNDAAZKLBCTFLK-WYMPLXKRSA-N 445.951 4.808 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1OCCO 1874638348 VKZIKMQCQUXJNI-ZZXKWVIFSA-N 426.252 4.568 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1C 1874696524 ZCFHONCLJUUADW-SOFGYWHQSA-N 445.309 4.986 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875094615 APRRDWSKJKVYJY-VZUCSPMQSA-N 448.387 4.627 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1OC 1875099254 YKCGIHRTGXCEMG-UKTHLTGXSA-N 447.443 4.656 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)CCc2ccc(Cl)c(C(F)(F)F)c2)CC1 1890267381 JBHFPBXSUSLHIS-UHFFFAOYSA-N 437.849 4.628 30 10 IJEE N#CC1(c2ccc(C(=O)N3CCCN(c4nc5ccc(Cl)cc5s4)CC3)cc2)CC1 1891328481 QETAVNDOKDUDFR-UHFFFAOYSA-N 436.968 4.857 30 10 IJEE Cc1ccccc1Oc1ccc(S(=O)(=O)N2CC=C(c3cncc(C#N)c3)CC2)cc1 1891791756 CKVRNBPTYARGHQ-UHFFFAOYSA-N 431.517 4.532 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(COC)CCCN1C(=O)OC(C)(C)C 1922121819 ZSUOTTQITJBTGA-RDGATRHJSA-N 432.605 4.544 30 10 IJEE CC[C@@H]1C[C@@](C#N)(N(CCN(CC)CC)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942582305 YIVHHPGTXVSMRI-RDGATRHJSA-N 428.621 4.512 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1944733184 HUMSZHAVDBXGCH-APWZRJJASA-N 431.533 4.586 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)C(F)(F)CC1 1965668322 PDGPYIBYUXHAPE-OAHLLOKOSA-N 448.283 4.907 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)CC#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2032521183 WBUGYFVJKNMMPK-XMMPIXPASA-N 440.628 4.881 30 10 IJEE CCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2034739191 IDSNTIAXEJIGRS-NDEPHWFRSA-N 426.608 4.649 30 10 IJEE CCOC(=O)Cc1csc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n1 2042449405 UIOZMFBMLUMOFD-CQSZACIVSA-N 430.595 4.610 30 10 IJEE CN(Cc1ccccc1)C1(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCCC1 2098943304 DQLPPVNGJOWDMT-UHFFFAOYSA-N 434.433 4.520 30 10 IJEE C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C(C)(C)CN1C(=O)OC(C)(C)C 2118152037 XTNNJWCOOQEXSD-LBPRGKRZSA-N 426.330 4.684 30 10 IJEE C=CCC1([C@H](NC)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2142389949 ZETZNZLKMWLGRM-QGZVFWFLSA-N 425.367 4.531 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(Br)cc1OC 2165534378 YLXFRWWVKZIZMN-FCHUYYIVSA-N 434.374 4.632 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)Nc2ccc(C#N)cc2Br)CC1 2181107647 KJDKNFVUFOMKIQ-GJZGRUSLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1ccc(Br)cc1C#N 2181113569 ACTSAORLUYZORJ-INIZCTEOSA-N 436.350 4.589 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)nn(C)c1C 2188139381 ZFRBDHUJWQLTEP-CQSZACIVSA-N 435.322 4.506 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2ccc(Br)c(F)c2F)C3)OC1(C)C 2194188902 TWTGNOBPRJYXHC-YJYMSZOUSA-N 428.126 4.786 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCC2)CC[C@@H]1COc1cc(Br)cnc1C#N 2198819557 HZNZFISPKAFWGI-OAHLLOKOSA-N 436.350 4.664 30 10 IJEE CCCNCCC#Cc1sc(Br)c(Br)c1Br 2212190451 XVCRENOWDQVOQH-UHFFFAOYSA-N 430.003 4.777 30 10 IJEE C#CC[C@H](C[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237415937 IDHCZAYONLUGCU-MISYRCLQSA-N 435.406 4.652 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2262206187 NQAOGNVACBIUII-IRLDBZIGSA-N 447.572 4.655 30 10 IJEE C=CCCC1([C@@H](O)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266821472 AAPYVHVENPKELY-KRWDZBQOSA-N 426.351 4.694 30 10 IJEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2267513546 WLDIXTUTKKTAHG-INIZCTEOSA-N 441.327 4.705 30 10 IJEE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282098812 YMYGAHZBFKTAQV-NRFANRHFSA-N 449.400 4.504 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)C#Cc3ccccc3Br)C[C@@H](C2)C1 2286582448 FUICDWBFBOUUOU-ALXJQNPVSA-N 432.358 4.653 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O 2294143749 FERJEOCGMIHHDF-UHFFFAOYSA-N 431.872 4.736 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2296215848 FCGUOKXNASUNDH-YSTOQKLRSA-N 433.390 4.567 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 2296220320 XBMYVPXWWUFKPP-JXFKEZNVSA-N 435.406 4.957 30 10 IJEE CN(Cc1ccc([C@@H](O)C#Cc2ccc(Br)cc2)cc1)C(=O)OC(C)(C)C 2296283532 HWWSYWNIFCLICY-FQEVSTJZSA-N 430.342 4.901 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@H](O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2296289476 SAAHDPPRGVRYTC-UAFMIMERSA-N 434.374 4.587 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296299683 YGWOAFBMFHRLAR-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE C#CCOc1ccc(C=C2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCC 2297308282 TZOYGSLWTVMGGD-UHFFFAOYSA-N 427.909 4.987 30 10 IJEE COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2cccc(Br)c2)C1=O 2313517438 NLLTXYNYEFTXTH-UHFFFAOYSA-N 426.310 4.943 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2COc2c(C)ccc(C)c2C)cc1OCC 2322160995 FNPRRCAZSBKMRQ-UHFFFAOYSA-N 440.569 4.751 30 10 IJEE COc1cc(C=Nn2c(S)nnc2COc2c(C)ccc(C)c2C)cc(Cl)c1OC 2322161023 LRPVNXDHSYZZBE-UHFFFAOYSA-N 446.960 4.624 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1ccccc1F 2323537029 SYJIYWLDBHYVFC-UHFFFAOYSA-N 438.484 4.826 30 10 IJEE Cc1cccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)c1 2325633046 FRNWQOWGVVJQLQ-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2327383261 FLCGNCGUCQDLSP-UHFFFAOYSA-N 437.525 4.878 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(O)c1 2328056570 IKDMCGKRKIQMJY-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2329851443 YBODBAHWXNPLTG-UHFFFAOYSA-N 431.334 4.931 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2331183876 YRTSDKMULNBZMK-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)o1 2331201185 YQXVKYRFPBAOKR-UHFFFAOYSA-N 440.456 4.621 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1sccc1C 2331327405 CCEVQPJKHMWJMX-UHFFFAOYSA-N 427.599 4.912 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2F)cc1C 2331364796 XFKRRQIUOQUHNC-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cccc(OC)c1 2331674973 PCNSKXHBJRMMQE-UHFFFAOYSA-N 437.569 4.586 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339536093 OYIWQPVDLWCJML-OAQYLSRUSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339593545 HMFJOPLURKLUGE-OALUTQOASA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](Nc1cc(Br)c(C#N)cc1F)[C@H]2F 2358233268 ZYUVDKSDYCDGHX-PWBULWKKSA-N 442.304 4.750 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[C@@H](Nc1ccc(C#N)c(Br)c1F)C2 2358983364 CBBMCXFIVLCBNJ-RUAUBTSSSA-N 438.341 4.954 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)C#Cc3ccc(Br)cc3)C[C@H]21 2360195183 ZDEQGHCJFLPYCM-QLDGJZPUSA-N 430.342 4.548 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2360196507 RXXPIHGHJXBXRE-SLFFLAALSA-N 435.406 4.862 30 10 IJEE C#CCCCCC[C@H](OCCCN)c1sc(Cl)cc1I 2366657896 OWUMQVCDXJJFSY-ZDUSSCGKSA-N 425.763 4.996 30 10 IJEE C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1csc(C)n1)C2 14956318 NFDQGMQUSJKCAG-UHFFFAOYSA-N 438.574 4.925 30 10 IJEE COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(F)ccc2F)ccc1OC(C)C 21254166 DYNTVFIAHVJPCU-YJBOKZPZSA-N 441.474 4.765 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCC)cc2)cc1 34932201 KFHCNFOPZKECJO-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccn3)C4)C2=O)cc1 41587388 MXQRSFNDXGVNJX-FMCGGJTJSA-N 428.488 4.757 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc([N+](=O)[O-])cc1 59791728 FZJGZWKJAOVINA-UHFFFAOYSA-N 445.504 4.923 30 10 IJEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccn1)c1c([nH]n(-c3ccccc3)c1=O)N2 98036738 WHTCUYYTKQDPKO-QRQCRPRQSA-N 440.528 4.580 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(Cl)cc2)cc1C 103104832 MWPHMHTYNMXNTD-VZCCSQPZSA-N 440.908 4.740 30 10 IJEE COc1ccccc1N/C=C1\C(=O)c2sccc2N(Cc2ccc(C)cc2)S1(=O)=O 103133473 MUNFAMZHGCJNQC-DEDYPNTBSA-N 440.546 4.551 30 10 IJEE CC(=O)Nc1ccc(-c2csc(N/N=C\c3ccc(O)c(Br)c3)n2)cc1 169942484 YPEQKYVFKJSRNS-UKWGHVSLSA-N 431.315 4.683 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)c1 170090052 WRCZABIVNSJWGV-JOCHJYFZSA-N 444.443 4.561 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccco3)[nH]c2cc1C 170098879 NHTKTRQYJFIXBE-HXUWFJFHSA-N 431.423 4.695 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc(OC)c1 170120392 KVZNJHWCPOZDRU-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(N(C)C)cc1 170129630 VSAPNERYDZILKT-HSZRJFAPSA-N 436.552 4.838 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccn1 170174236 SFRYYPAUIKFHQV-JOCHJYFZSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccncc1)c1c[nH]c2ccccc12 170199492 XQXVVLCYMXJDNJ-NRFANRHFSA-N 431.398 4.624 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1C 170260717 HOEUCMMDUSXWAX-HSZRJFAPSA-N 447.487 4.861 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)c1 170290731 MXLOBRNLHFALSW-FQEVSTJZSA-N 425.387 4.739 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(C)o2)c1 170300017 YVAYNHOJYFJIGW-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(C)o2)c(C)c1 170304032 MTTGTJOIUWUARJ-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(C)c2)cc1 170458948 DEOCUNAJURTPQP-QFIPXVFZSA-N 445.471 4.543 30 10 IJEE Cc1cc(Br)cc(C)c1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 428906431 NFNJIXOISFVZOV-UHFFFAOYSA-N 437.341 4.773 30 10 IJEE Cn1cc([C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C(F)(F)F)cn1 446306740 CESAAUVODNTAGX-SFHVURJKSA-N 433.365 4.648 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 475063404 KCVFPJXSPHJNHL-UHFFFAOYSA-N 447.445 4.669 30 10 IJEE C=CCn1c(COc2ccccc2OC)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 508918375 MVSMXECNTKOHSV-UHFFFAOYSA-N 449.942 4.680 30 10 IJEE C=CCCCN(C)C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 524247874 HSJLLPUGOYJJBK-UHFFFAOYSA-N 430.346 4.809 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCO1 569556698 VJLWBQLVFVSNMJ-NRFANRHFSA-N 440.551 4.514 30 10 IJEE CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2cccs2)cc1 585693229 ZLQXRZZFHKQSDI-HJPURHCSSA-N 449.551 4.794 30 10 IJEE O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CCN(c2nc3ccccc3s2)CC1 589297676 IDUNDYFWFXKHRM-UHFFFAOYSA-N 438.556 4.946 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nc2sccc2c1=O 613439806 FKMYLCAYECAKCA-OLZOCXBDSA-N 433.986 4.655 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 687809816 KJUGNADOIZJCID-SANMLTNESA-N 426.472 4.787 30 10 IJEE C/C(=C\C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F 742041500 SHFJFRORZKNXJJ-DGWAXEAPSA-N 431.433 4.657 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2csc([C@@H](C)OCC)n2)c1=S 765036390 LMBWYMIBEPSXPS-MRXNPFEDSA-N 444.630 4.696 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 796888186 KSCXGXQUSVPBJF-YWZLYKJASA-N 429.501 4.776 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1)c1ccc(Cl)cc1 810473506 DFWSOYMTFCZFDT-HSZRJFAPSA-N 432.907 4.657 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccc(F)cc1 812939044 UMMSKQMDKSQLNH-QHCPKHFHSA-N 442.494 4.912 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3ccc(C(F)(F)F)cc3)n[nH]2)cc1 1084003277 GBTOUXCLKCVXHQ-UHFFFAOYSA-N 448.474 4.699 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)OC1CCCC1 1084267713 JMUUOJIZKXFBQF-UHFFFAOYSA-N 437.525 4.621 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1ccc(C)cc1 1084541780 DDNRBORFZDTTSY-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE N#C[C@@]1(N[C@H](Cc2ccccc2)c2ccccc2)C(=O)Nc2ccc(Br)cc21 1088727140 OHIVEHUFLGDSRY-GGAORHGYSA-N 432.321 4.694 30 10 IJEE COc1cc(NC(=S)NN=Cc2cc(Cl)cc(Cl)c2O)c(OC)cc1Cl 1088728749 YUYXIUKDHGPAKW-UHFFFAOYSA-N 434.732 4.690 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)n1nnc(-c2ccccc2)n1 1124169341 HOASXPOKAQYEGA-HOCLYGCPSA-N 434.569 4.624 30 10 IJEE N#Cc1ccc(OCC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)cc1Br 1126556570 HNGKNNNBZBTOAK-OAQYLSRUSA-N 449.348 4.842 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C(=O)OCC 1132192660 MRADWOGYBGDDSG-CYBMUJFWSA-N 431.794 4.649 30 10 IJEE C#CCCOc1ccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc1 1133317276 UFOAMXDOXLBKTE-HXUWFJFHSA-N 434.536 4.748 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 1161266532 GDGJZRSRRJIYHJ-AWEZNQCLSA-N 439.364 4.634 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)N[C@@H](c1cccc3ccccc13)C(F)(F)F)C2 1203667268 GAKIPIKVEWHIGQ-SFHVURJKSA-N 430.455 4.726 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC)c2cc(F)ccc2OC)cc1 1214914420 NWJCLHRHCWRLHP-OAQYLSRUSA-N 425.504 4.921 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)[C@H]1CCCc2ccccc21 1221213434 TXITWHHSNHZDKH-UIOOFZCWSA-N 445.607 4.945 30 10 IJEE C#CCN(C(=O)[C@H]1CCCc2sccc21)[C@H]1CCOc2ccc(Br)cc21 1265209764 IJHVJLNBYFSGJV-WMZOPIPTSA-N 430.367 4.916 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)cc(OC)c1OC 1266312895 KVBTXJJBZMISAP-ZDUSSCGKSA-N 436.321 4.695 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)cc1 1274606458 NJZSBALVCSRRSR-QHCPKHFHSA-N 436.552 4.865 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C1 1277137144 LAEILFHNJQKKFL-QGZVFWFLSA-N 439.353 4.885 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@H](OCC)C(C)C 1286283720 ZHBZLJBWJYKNHG-APWZRJJASA-N 433.394 4.617 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1CCCC 1286368340 SECWTEUGIFXKNF-SFHVURJKSA-N 434.415 4.976 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1286537480 CWKFNPVPJPFMGR-QRQLOZEOSA-N 431.378 4.811 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSCC1 1286549061 CZLWEZZUUBAMIP-KDOFPFPSSA-N 439.412 4.786 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 1286644050 GECXYKSYJQFZLZ-UHFFFAOYSA-N 446.555 4.892 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1CSC 1286698789 HHEXLFCHWQEJPR-IBGZPJMESA-N 449.665 4.691 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)Sc1ccccc1 1286716609 IJIQZTVYPUDWGK-HNNXBMFYSA-N 446.418 4.849 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286747035 IHTRFXQMZSCDTI-QGZVFWFLSA-N 443.567 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)cc1F 1286749534 VPOJMCVBGMWQQE-KRWDZBQOSA-N 430.524 4.753 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1 1287305897 BCGQEOFWVLUCOT-YADHBBJMSA-N 435.597 4.966 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@@H]2CCC(C)(C)CO2)nnc1-c1ccc(Cl)cc1 1289357121 RAVHRIAZIVOBOL-SFHVURJKSA-N 449.020 4.588 30 10 IJEE Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)Nc1cccc(C#N)c1 1290034525 GXMAYJRVTYQDNJ-UHFFFAOYSA-N 426.542 4.690 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 1290331504 JKUDPUBSBDEFCD-HXUWFJFHSA-N 435.996 4.671 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(Br)ccc2C1 1300361277 DFMRNGDEJDVGGV-FQEVSTJZSA-N 443.389 4.648 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCc2ccccc2[C@H]1C 1300853153 KPCYMONJKJEAJA-OAHLLOKOSA-N 429.387 4.963 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1occc1C 1300913015 PFODUTUGNCAIEB-IBGZPJMESA-N 443.592 4.745 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1300975494 VQQGVBJROUBQSW-NMNUPHIUSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301139989 YIBFLTLSKDXMKV-HOTGVXAUSA-N 448.409 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1301145813 HSVJUEFREMKEPR-HXUWFJFHSA-N 434.588 4.902 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(Cl)=C(Cl)C1 1301178515 NTNANSAULYTQED-UHFFFAOYSA-N 435.355 4.972 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1301194538 LMQBOUUYNLBQQC-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1301308642 HYSYGZWPMLZNHT-VQTJNVASSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC1(O)CCCCC1 1301340619 KBLWTCFDMPKCNI-UHFFFAOYSA-N 431.540 4.606 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3ccnn3C)C2)cc1 1301524392 CFBAYBQLEVRNTO-OAQYLSRUSA-N 448.615 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CC2(C)C)C1 1301541652 AYJAFCKCWKJAGN-QZTJIDSGSA-N 445.405 4.843 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC(C)(C)C)C2CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307238066 STRVYVAYEKURRO-ACJLOTCBSA-N 446.638 4.981 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)Cc1cccc(C#N)c1 1307439657 BGZLPLLZZLFFPF-UHFFFAOYSA-N 441.510 4.603 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC)c1ccccc1 1310230281 UZNOCJCPKPSSPR-MRXNPFEDSA-N 442.459 4.818 30 10 IJEE CC#CCCCC(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1349105109 LUPVTOKOYGEKPL-MBSDFSHPSA-N 447.984 4.827 30 10 IJEE C=CCN(C(=O)C1CCC2(CC1)CC2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1349333217 UEMCUYPIOSVFAN-UHFFFAOYSA-N 430.595 4.703 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(CCN3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1351169800 PVZUFICCWQIEBD-AREMUKBSSA-N 441.616 4.999 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F 1352319338 QVIFFWQFGSBWPZ-CABCVRRESA-N 438.259 4.850 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C=CCCC2)ccc1Cl 1355846596 RQLKHTDUPSKAGF-GOSISDBHSA-N 448.947 4.699 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1CCN(CC)CC1 1358873797 OLWQTXGWSLUYQY-OALUTQOASA-N 444.023 4.651 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1358906981 ZLZFEABTJGMQFZ-DEOSSOPVSA-N 446.542 4.991 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C 1358935211 AVUUSQVOSJHLNI-UHFFFAOYSA-N 429.977 4.878 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(CCC)CC1CC1 1359053251 GYNZBCGQVZVNHX-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N(C)CC1CC(F)(F)C1 1359061971 RRIRBMGEIIJPSS-UHFFFAOYSA-N 436.597 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](SC)C(C)(C)C 1359068608 HYFXYLPVPZZNTI-PXDATVDWSA-N 448.640 4.901 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(F)F)C1 1359087004 PPTGBBSCIJYLDQ-QGZVFWFLSA-N 439.348 4.844 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C)C1 1359096036 WBAQEFCGDXNVCE-NOXFTYBFSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1359120110 ITLTWTCYGWCDNG-UHFFFAOYSA-N 447.345 4.689 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1359127773 ZZCWONBZWSAUHN-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(C)o1)c1ccccc1 1359140343 YHHWAMYQBUGFDO-UHFFFAOYSA-N 447.564 4.521 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1[C@H]2CCC[C@H]12 1359206730 NSZNNHKELZFSPL-FHWLQOOXSA-N 429.609 4.941 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1359216758 CPVWJUXPOGRFQW-OALUTQOASA-N 430.543 4.756 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 1359226440 GCBXPLHEXQMJMG-IBGZPJMESA-N 449.393 4.511 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NCc1ccccc1 1359234628 VILHHHDAWWECKY-UHFFFAOYSA-N 449.624 4.604 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@H](C)C1 1359244553 ICRJDTCBEZBSAQ-CABCVRRESA-N 425.360 4.601 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1CCC1CCN(CC(F)(F)F)CC1)C1CC1 1359248831 DMRUKKDGVHFFGH-UHFFFAOYSA-N 433.522 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccncc1Cl 1359263591 GAIVTTGGYCOVDH-UHFFFAOYSA-N 436.972 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1Cc1occc1C 1359268772 COFTVAYKTFSRFQ-UHFFFAOYSA-N 431.309 4.975 30 10 IJEE CC(C)C[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1359765995 GKVKOPHASPNVCF-HFZDXXHNSA-N 445.615 4.600 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2ccc(I)cc2)c1 1435004753 KEPHDMNZDKYYIQ-UHFFFAOYSA-N 441.268 4.641 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(COc2cccc(Br)c2)o1 1435179128 NBCONXVPKPLJKY-UHFFFAOYSA-N 440.293 4.563 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 1436641497 QRKRHOJRVBARNX-CYBMUJFWSA-N 449.732 4.659 30 10 IJEE C#CC[C@]1(C(=O)N(C)[C@@H](CCc2ccccc2)C(F)F)CCCN1C(=O)OC(C)(C)C 1438194737 WUOIXDZEUIXWHA-YADARESESA-N 434.527 4.504 30 10 IJEE CCc1ccccc1O[C@@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1ccccc1 1440678465 CHBHCOUOZDFRLT-XNMGPUDCSA-N 439.559 4.778 30 10 IJEE C=CC(=O)Nc1ccc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)cc1 1455332209 ITGBEXOWGMNBPA-UHFFFAOYSA-N 442.324 4.516 30 10 IJEE C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1458889966 XWLJSPOFBVPPKT-WXFJXSOESA-N 428.319 4.580 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C 1460781113 LYOVEDAKVRLISB-UHFFFAOYSA-N 441.366 4.846 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2c(Br)cccc2[N+](=O)[O-])cc1 1461557969 GYRHCKJHIXNMQA-UHFFFAOYSA-N 430.302 4.784 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2CC[C@H]1Cc1ccccc1 1463317680 CHBXWYOPEFFGBK-QFIPXVFZSA-N 425.532 4.799 30 10 IJEE CC#CCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1466461675 QTVBJRJBBORXIB-ZCXUNETKSA-N 426.516 4.882 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1468760376 RRASKVYCPNBKCU-VXKWHMMOSA-N 429.605 4.947 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1470638726 HPBSMSXSXRQBGX-SESVDKBCSA-N 446.636 4.944 30 10 IJEE C=CCCSCCNC(=O)NC[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1470734379 RXSVLENXWRFZJE-SFHVURJKSA-N 440.535 4.744 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cc1 1476084435 CZMMFAJXJLNPIS-UHFFFAOYSA-N 446.528 4.943 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 1476482547 CTIHJZIFWAXZJL-MRXNPFEDSA-N 435.337 4.680 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1OCC=C 1507606805 XSIQXYWNXZTYCW-SFHVURJKSA-N 432.593 4.814 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCCC(F)(F)C1 1507673699 ZHIRZVMSKJBCOT-NRFANRHFSA-N 440.538 4.844 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(OC)C1 1507748282 LWNFFONVAJBYDQ-QHCPKHFHSA-N 444.670 4.647 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1507796837 QUEYRDDENSHSKC-PZJWPPBQSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1507803343 BCLQUMAHBWTGEO-CVJWPJSTSA-N 449.599 4.585 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1507849041 UCABQMFPZBZGOW-SFTDATJTSA-N 440.588 4.617 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccccc2Cl)CC1 1507878144 IYIAJWURTRUIGT-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOCC(F)F)CC1 1507880602 KLTMOBVMKNAGFE-UHFFFAOYSA-N 441.320 4.536 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1507934943 JNHJRQPKCDENST-VQTJNVASSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCCN1CC 1507998278 DQDUDDNABQJWBU-XMMPIXPASA-N 432.616 4.559 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@H]1COc2ccccc2O1 1508008283 MLPYDWJCOWZRQB-SFHVURJKSA-N 438.597 4.961 30 10 IJEE CCc1nc(C)c(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)o1 1513721985 AQOATNFBBLRKLQ-HNNXBMFYSA-N 438.601 4.779 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1)C(C)(C)C 1519874610 BHKYJKJBXDNOOH-LVCYWYKZSA-N 441.645 4.989 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccc(C(F)(F)F)cc1 1520114540 VPQSOCCVBFAPEN-UTKZUKDTSA-N 446.469 4.891 30 10 IJEE C#C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(Br)cc1 1528080953 KYFFXBKWZFMYBW-SFHVURJKSA-N 445.263 4.806 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 1530834380 KTTJNFUTIKIEKD-VWLOTQADSA-N 437.543 4.808 30 10 IJEE C#CC[C@@]1(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1530926342 CDAPYQGKRSASEZ-CUNXSJBXSA-N 430.548 4.958 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1538975691 BZUXJSWHAVAKGE-ISYUWZRGSA-N 442.991 4.549 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3c(s2)C[C@H](C(C)C)CC3)CCCN1C(=O)OC(C)(C)C 1539105802 GAJVMINCQCKLTG-WAIKUNEKSA-N 431.602 4.636 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(SCC)c1 1539383540 FPWFSSFDBZDONU-NHCUHLMSSA-N 426.630 4.817 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1 1539399788 SSFLHNFNNUCTRM-IBGZPJMESA-N 434.609 4.574 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1539506002 GVEUANVKKONEJF-UYAOXDASSA-N 442.629 4.734 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC=C(C)C1 1539579739 CABMAIBGGYOIFZ-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1539606486 GSJXWAYAGFEPJZ-UXHICEINSA-N 429.406 4.988 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)(CC)C1 1539701514 JRZDHACYKCZBIS-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1scnc1C 1539798072 BNKZMOPCTZEPAU-UHFFFAOYSA-N 426.933 4.754 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN(C)C2CCCCC2)CC1 1539845917 GAIITYFNJSMHMJ-UHFFFAOYSA-N 428.024 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)=O)CC1 1539910686 ZCYHNJFDUDOBFB-UHFFFAOYSA-N 437.632 4.950 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1539971821 USYVCTWDFFFOSM-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCCOC2)C1 1539986434 YSRUCUMEBPMGMW-IBGZPJMESA-N 437.407 4.742 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1539989538 XRHWWFWZCHZVPI-UHFFFAOYSA-N 439.585 4.581 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H](C)C1 1540119466 JRKOHPLNZFCSSW-LSWJPFSZSA-N 440.588 4.536 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(C)oc2ccccc12 1540154965 HYWJIGFGWSSCKS-RUZDIDTESA-N 436.556 4.600 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)C[C@H]1CCCO1 1540855296 LZCOKPGYJCOVCV-CQSZACIVSA-N 425.758 4.552 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1541375863 CVCWOIHXXCOKGY-GOTSBHOMSA-N 434.632 4.810 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c[nH]c2nccc(Cl)c12 1542729957 YQQSFCSXUVKDTM-UHFFFAOYSA-N 436.712 4.875 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(I)c(F)cc1F 1543792505 KFYZXIHUCGNSAW-UHFFFAOYSA-N 427.232 4.788 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(C)(F)F)cc1OC 1547266039 BNFUSKVMGSCDCD-JOCHJYFZSA-N 447.530 4.918 30 10 IJEE N#Cc1ccc(NC[C@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)nn1 1559068531 GSLTXPDTKSRYEY-GOSISDBHSA-N 430.364 4.928 30 10 IJEE COc1ccc(CN(C(=O)COc2cccc(F)c2C#N)[C@H](C)Cc2cccs2)cc1 1559388847 CCZLOVOPZPSCNT-QGZVFWFLSA-N 438.524 4.806 30 10 IJEE C=CCOCCCNC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1564114398 LTTQUWJWWLNEEB-AWEZNQCLSA-N 438.391 4.834 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 1564684264 FIARCKNHHLYKSS-FXAWDEMLSA-N 429.351 4.821 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 1565184428 VUKIFNUEDSTZOF-UHFFFAOYSA-N 442.629 4.638 30 10 IJEE C=CC(C)(C)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1583038288 SYQXCZQAUQMKLO-RXVVDRJESA-N 425.500 4.778 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nnn(-c3cccc4cnccc34)c2C)C(F)(F)F)cc1 1587315174 GTKOPFSCEGZUKA-NRFANRHFSA-N 436.393 4.566 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1587786830 AQIIAJDJNMXYFG-AREMUKBSSA-N 438.616 4.864 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCC=C(Br)C1 1587787243 IUESCKZJNTVCMW-UHFFFAOYSA-N 443.389 4.712 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccccc1F 1589530647 XQZUMKPMCNGSFH-NZQKXSOJSA-N 435.547 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCN1CCC 1589694875 VWOBTGDESBTLPB-BHDDXSALSA-N 431.669 4.864 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cc(Br)ccc2F)CC1 1594091397 ZQZGANLKALGWRR-IBGZPJMESA-N 449.368 4.820 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)C2CCCC2)CC1 1594192209 FPDQCYYOCMUEKL-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)C[C@H]1CC 1594461091 IIKVHWNDCNXCIQ-IEBWSBKVSA-N 430.618 4.576 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1594573242 PSKPBUDLINZTBZ-PLVHLFARSA-N 438.616 4.949 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CCC(C)(C)C)CC1 1595319161 BQQKOIQUEUFAAC-OAQYLSRUSA-N 425.621 4.779 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCOc1ccc(Cl)cc1C 1597552151 MQSPFJHSZHPPPV-INIZCTEOSA-N 431.360 4.569 30 10 IJEE Cc1ccc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cc1C#N 1598289503 FGVSWUNSDQZBDA-UHFFFAOYSA-N 433.552 4.565 30 10 IJEE Cc1ccc(-c2cc(NC(=O)COc3ccc(C#N)cc3F)n(-c3ccccc3)n2)cc1 1613627063 FEMGONKTVCUDGQ-UHFFFAOYSA-N 426.451 4.876 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2ccccn2)CCS1 1614222416 BHZUJNOWXSARSQ-FQEVSTJZSA-N 432.597 4.521 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H]1C 1614758348 AVOIPWGXFSFPLC-FQEVSTJZSA-N 448.640 4.822 30 10 IJEE CCN(Cc1cccc(Br)c1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC 1615295917 CCYZFMYDIWTNIR-KRWDZBQOSA-N 444.373 4.615 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccn1 1617876129 CAPJFXOBFKCHGN-UHFFFAOYSA-N 434.956 4.806 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1621115692 YKSVDYDDVQAJBS-KDYLLFBJSA-N 427.358 4.880 30 10 IJEE CC(=O)N1CC[C@@H](OC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c2ccccc21 1624088422 COXRGUHJCSRJRY-RUZDIDTESA-N 426.472 4.792 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)CN(C(=O)OC(C)(C)C)C1 1631629213 RRPJXNCVSMDKMD-UHFFFAOYSA-N 432.471 4.562 30 10 IJEE C=CC1(CC(=O)N(OC)[C@H](C)c2cccc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1633372134 CNTADMCAGZUXLJ-OAHLLOKOSA-N 442.478 4.970 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 1634435846 SESMNVWKAMRLES-ZCYQVOJMSA-N 425.523 4.890 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 1634720890 NQFMPYNEKYJLPK-WMZHIEFXSA-N 436.552 4.750 30 10 IJEE C[C@H](Nc1ccc(C#N)c(Br)c1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1642188721 JCMNZAVJXFTSOC-GXTWGEPZSA-N 426.330 4.907 30 10 IJEE C=CCN(Cc1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1644813478 ODFIAENBGAQYQD-MRXNPFEDSA-N 426.365 4.961 30 10 IJEE C=C[C@@H](C)Nc1cc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc(Oc2ccccc2)n1 1651639069 WXFSWDBHKPQIGB-MSOLQXFVSA-N 439.560 4.749 30 10 IJEE CC(C)Oc1ccc(CC[C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 1653695085 DWAFIDFOHIIEDZ-OAHLLOKOSA-N 440.487 4.664 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)c1 1658457064 RHLXQIFWXIYPBW-UHFFFAOYSA-N 434.971 4.875 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1661118836 VWKSDXWAORYIES-UHFFFAOYSA-N 448.388 4.973 30 10 IJEE Cc1csc(NC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c1C#N 1661563384 ABEICJQLKPGVLD-UHFFFAOYSA-N 434.521 4.648 30 10 IJEE CO[C@H](C)c1nc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cs1 1661695139 BXUKOKVDPOXDAY-CQSZACIVSA-N 438.557 4.527 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C 1662338140 HOEFBHPOPZUEJP-HOYKHHGWSA-N 434.536 4.773 30 10 IJEE C=CCOc1c(Br)cc(CNCC2(C(=O)OC(C)(C)C)CCC2)cc1OC 1662955572 KXVXIVJVLIREKZ-UHFFFAOYSA-N 440.378 4.624 30 10 IJEE C#CCN(Cc1ccc(N(C)C(C)C)nc1)[C@@H]1CCOc2ccc(Br)cc21 1663979455 JLVSBMZDGIRNBE-HXUWFJFHSA-N 428.374 4.648 30 10 IJEE Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 1668217437 CFXAWQDBPCYLPO-WMZHIEFXSA-N 449.942 4.995 30 10 IJEE COC(=O)c1cc(Br)cc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1C 1671065801 HPOQIDJHNBPJIR-ZDUSSCGKSA-N 430.302 4.641 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1 1675169482 PKRJJOWPTOEYFG-QZTJIDSGSA-N 431.964 4.822 30 10 IJEE C[C@H]1COc2ccccc2CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1677479002 HKMJAYLFQJUIMB-KRWDZBQOSA-N 429.524 4.856 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C 1678351533 NSCOTYBYYWQGPG-LJQANCHMSA-N 432.362 4.747 30 10 IJEE C=CC[C@H](NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1)c1ccncc1 1679332499 BJEBCNYPTGHMMZ-QFIPXVFZSA-N 432.524 4.556 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1680750716 OGSQIUMGNMIHMG-HXUWFJFHSA-N 429.605 4.999 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(Cl)cc1 1683675900 HOVUWXOLJQSSOR-TZIWHRDSSA-N 425.319 4.889 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)C1 1684412570 MDFFWADONNTLBY-YKSBVNFPSA-N 440.609 4.794 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC1CCOCC1 1689881451 QJHPYRORGVFTCR-UHFFFAOYSA-N 430.980 4.664 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCN(CCC(C)C)CC1 1690078825 IKUHWYCKWWJUGP-UHFFFAOYSA-N 442.051 4.740 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN(C(C)C)C1 1690201208 ALYUCJMXYFIIPK-YADARESESA-N 426.008 4.711 30 10 IJEE C=C(Cl)Cn1c(N2CCC(c3ccsc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690359191 VIIJTCUISBRWQY-OAQYLSRUSA-N 437.009 4.517 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](CC)N2CCCC2)CC1 1690415297 GUSYPDVBLRWUNO-NRFANRHFSA-N 444.023 4.787 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690430091 CKPCWWXSXNLPGW-OAQYLSRUSA-N 439.604 4.873 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1690445458 XXFWWJAEGFRNMM-TZRRMPRUSA-N 438.616 4.783 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1690595570 ZDAHVXMYERWOGP-LJQANCHMSA-N 429.609 4.761 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC[C@H]1CCO[C@@H](C)C1 1690602551 RGIMTJWXBFLILU-GMAHTHKFSA-N 431.584 4.780 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)C1 1690688412 UZMNSDUDGPCRKJ-NNMXDRDESA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1690745123 YKOKEFYMCXAYTM-UHFFFAOYSA-N 445.677 4.520 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccccc1 1692658648 BFNLLSBHBMHUBA-CJAUYULYSA-N 449.624 4.922 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1705601499 LMQOSDCMSVFBHI-XMMPIXPASA-N 446.595 4.510 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCC1(C)C 1705664191 XJCHVNIAGCKTLW-UHFFFAOYSA-N 447.048 4.997 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CCCC(C)(C)C1 1705690566 AFWYGDCJMIKCAA-UHFFFAOYSA-N 449.393 4.791 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCOC(C)C)CC1 1705777946 UUOGERRJCXHJOM-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](COCC)C1 1705789522 NTAVNUFXBMHSIQ-OAQYLSRUSA-N 448.615 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705790278 PBSNCYCNSGFCPX-UZUQRXQVSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705795328 HNLGINZGLUSDPY-FDFHNCONSA-N 429.653 4.823 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1COCC 1705837619 IYCVRUWWBIGWGJ-UHFFFAOYSA-N 447.402 4.976 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccc(C)nc1 1705845133 HZFOKSIKQPTSSM-UHFFFAOYSA-N 425.964 4.625 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCSc1ccc(C)cc1)C1CC1 1705855744 RVKSGURFBODCTC-UHFFFAOYSA-N 425.627 4.889 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@@H](OC)C(F)(F)F 1705865854 YXJKIJZSZIDXMJ-QGZVFWFLSA-N 439.507 4.505 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCC=CO2)c1C 1706976986 HEMDIYMUKTWCJS-IRLDBZIGSA-N 435.572 4.858 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)c1cccs1 1722343405 LBWLATKJJNFJCL-UHFFFAOYSA-N 429.387 4.816 30 10 IJEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CC)CCCC1 1722388161 XEZWVXNYFKTLEE-UHFFFAOYSA-N 431.584 4.581 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1cn2ccccc2n1 1722403730 CGSPBTVLTLAIAC-UHFFFAOYSA-N 426.568 4.593 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1722416368 LMPKIHDYEOJULV-IVKZONNUSA-N 436.600 4.589 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1722645413 LYAHWGCJPWNBTN-ROUUACIJSA-N 445.558 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1F 1722664122 QSXWOGKYUQJRSB-QZTJIDSGSA-N 442.560 4.643 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H](SC)C(C)(C)C 1722673469 SVBSMZXUGISAOE-RTWAWAEBSA-N 428.646 4.795 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCCCCC1 1723768232 AFGPXBWMAUTLKH-INIZCTEOSA-N 446.393 4.531 30 10 IJEE CS[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1731055603 BNVMSLJNULJDMI-XXBNENTESA-N 445.608 4.694 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CSCCS1 1740558580 TXQJHBWPRUOCTP-MOPGFXCFSA-N 444.670 4.595 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCC2=CCCCC2)c1 1740564439 MWBYPXSYEWRKOL-UHFFFAOYSA-N 433.600 4.813 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1740590667 HPMOKWJQHGZPSI-OAQYLSRUSA-N 440.494 4.641 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1740738833 MHUCFLLTYADUOY-PXAZEXFGSA-N 430.325 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1cn[nH]c1 1740769528 YTYODGFFZYWVBM-UHFFFAOYSA-N 429.572 4.721 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1740786013 MONDSCLQCOHXFL-CEMLEFRQSA-N 426.580 4.981 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CC[C@@H](C)N2CCCCC2)CC1 1740841207 JSWHAFNUUATJNE-JOCHJYFZSA-N 437.632 4.567 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC(C)C)CC1 1740898106 FFOVUNZFNUZYDL-LJQANCHMSA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H](C)N1CCCCC1 1740918582 MGBSAGUKUMXYMG-VWNXMTODSA-N 437.632 4.977 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccco2)cc1 1740967942 VEQBTCDLMYMMHO-HXUWFJFHSA-N 446.555 4.543 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccc(Cl)cc1 1748734207 BDKLQLPMSWMWFO-UHFFFAOYSA-N 446.780 4.781 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCC(F)(F)C1 1748775241 GGKVUXVWHVSDJG-HNNXBMFYSA-N 437.332 4.993 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1CCCNc1ccc(C(F)(F)F)cn1 1748918977 VHQBVDMAASLEOD-UHFFFAOYSA-N 442.489 4.629 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CC=CCC1 1749047218 QVWKCYWVCGQTEN-SFHVURJKSA-N 431.005 4.669 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1749137174 WUUKXOLEOHVVNV-HTAPYJJXSA-N 442.947 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCC[C@@H]1C 1749147507 KHORGSQEVLMHMQ-HRAATJIYSA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCN(CC)C1 1749166243 YAQAPXNGAZBTDP-NRFANRHFSA-N 439.648 4.899 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC(OCC2CC2)CC1 1749220326 FIDKKBJXLZPTAJ-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](C)C1)c1ccccc1 1749385711 TXVSIAXQXIZXPK-XLIONFOSSA-N 439.654 4.935 30 10 IJEE C=CCCOCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1749451872 JZKZWCXCFDIMNZ-UHFFFAOYSA-N 433.478 4.532 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1sc(C)nc1C)C1CC1 1749511068 RRKQWNGHQZXKKJ-UHFFFAOYSA-N 447.406 4.507 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1Cc2ccccc2[C@H]1C)C(C)C 1749557897 OBEIOUDEAGSJJF-AGILITTLSA-N 435.616 4.909 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCC[C@H]1C 1749587268 NIBYRAUHFAFYNF-LJQANCHMSA-N 439.991 4.911 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749754340 KSIDWONNXUFTTL-JOCHJYFZSA-N 442.629 4.832 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCC[C@H]1C 1751091072 FDMVMVNFKVOIDX-SEPYTNNBSA-N 427.618 4.565 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1751112250 DEAIYWYNFPWIBC-IBGZPJMESA-N 442.592 4.712 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1760131734 YTBLWTKQOLAVBK-GOSISDBHSA-N 425.533 4.551 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1760146827 XXUVFJNPGIJKFO-HXUWFJFHSA-N 443.389 4.516 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)CC=C 1760210439 PDWJZPIOGIWRSN-UHFFFAOYSA-N 431.367 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C 1760327520 ICQWANZFTWWMAE-MKUJHJDCSA-N 448.677 4.508 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccccc2OC(F)F)CC1 1760390223 GKFZEUIINOQMTI-UHFFFAOYSA-N 445.539 4.634 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(Cl)c(OC)c2)CC1 1760390419 KDSZYCKDGUJYIG-UHFFFAOYSA-N 428.989 4.992 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1760409660 CAOQBVHIABFWQD-UHFFFAOYSA-N 429.572 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760414823 DVUGLEBJJQTYSV-OAQYLSRUSA-N 438.616 4.633 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(Nc2cccnn2)CC1)c1ccccc1 1760417220 YRDUIFRJXWARSP-OAQYLSRUSA-N 431.588 4.632 30 10 IJEE O=S(=O)(c1ccc(-c2csc(NN=Cc3ccccc3F)n2)cc1)N1CCCCC1 1772721357 LWPZJWYMBDLHGR-UHFFFAOYSA-N 444.557 4.570 30 10 IJEE CCN(CC)CCCNC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858944717 NQEOWOCULAPJNM-UHFFFAOYSA-N 444.535 4.784 30 10 IJEE N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 1859126030 MOLYARQQCZASIT-UHFFFAOYSA-N 434.839 4.553 30 10 IJEE Cc1cccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccc([N+](=O)[O-])c2)c1 1859412686 JETLALQFSYJJFS-UHFFFAOYSA-N 437.459 4.939 30 10 IJEE N#Cc1cccc(C(=O)OC[C@@H]2CCCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)C2)c1 1860072008 WKFDXDWFBFLGGR-UGAXZCSASA-N 443.330 4.974 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 1862397473 MHLSGSZKGZHUIR-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)cc1 1862434076 RBVWIJZEEHPPIF-JOCHJYFZSA-N 447.922 4.580 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)ccc1F 1862503941 IVQVEKLEJJYLCB-OAQYLSRUSA-N 437.467 4.743 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C)cc2)cc1 1862516129 ZBJCPSJFUGPMMI-HSZRJFAPSA-N 437.536 4.525 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc1 1862535795 KMNTWICZVMXBTB-QHCPKHFHSA-N 447.462 4.578 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862557147 JGMDOMIXUXTDRE-HJPURHCSSA-N 428.488 4.617 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1862584961 LKPBGESDKADYLY-LJQANCHMSA-N 446.286 4.529 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862620494 SVNXQTYVCGOODU-NRFANRHFSA-N 433.504 4.511 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1OCC 1862683228 HUFSQGRKEVSYGS-NYHFZMIOSA-N 441.499 5.000 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(O)cc2)c1 1862698710 LPRLJZHCACCVBJ-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862704172 SZENRLVHZNSCSM-NRFANRHFSA-N 436.464 4.514 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccc(F)c2)cc1 1862749405 XOKFQBOHRNAMFT-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1F 1862752113 VHXVFSFFZCMMAN-LJQANCHMSA-N 430.407 4.642 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2ccc(C)c(Cl)c2)C1=O 1863056637 OGTMFTJYVBXVRO-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@@H](C)c3ccccc3)C2=O)ccc1F 1863462457 BWLRVYYEFOUBAQ-KRWDZBQOSA-N 425.463 4.959 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2cccc(Cl)c2N)c(Br)c1 1866169934 XCHFPFOOSBDWLA-UHFFFAOYSA-N 429.499 4.571 30 10 IJEE C[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866772024 KRLZGVYWOWVCTM-HJPURHCSSA-N 433.458 4.502 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868377897 CMXVUUGYNGLYRO-NRFANRHFSA-N 427.556 4.988 30 10 IJEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870106532 QIELMKPFXSEXTN-SOFGYWHQSA-N 432.698 4.810 30 10 IJEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2)cc1 1870146838 KRWKSWFCCATNEY-UHFFFAOYSA-N 437.931 4.888 30 10 IJEE CCOc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1 1870148251 DBOAGKSYLSQGTP-UHFFFAOYSA-N 437.503 4.694 30 10 IJEE CCCCOc1cn(CCCOCC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181355 POABCRKXDFFVHI-UHFFFAOYSA-N 443.613 4.938 30 10 IJEE C[C@@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccc(F)cc2)C1 1870348095 IXGIOTLHPXHJMJ-HXUWFJFHSA-N 445.538 4.718 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1CCCCCCO 1870441342 FKTISBXWGVLBHL-UHFFFAOYSA-N 445.003 4.807 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871007048 JBLSQPZURJDJJJ-UHFFFAOYSA-N 429.564 4.675 30 10 IJEE C=CCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871605716 IHJXVGITVJBYTO-RTBURBONSA-N 429.572 4.861 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CCC 1872116478 HETIZUIXAIRCJL-INIZCTEOSA-N 440.915 4.694 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)C1CC1 1872170977 DGXAQJWADFNJPZ-QFIPXVFZSA-N 436.618 4.589 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1872177521 ADJBULRETPNTEM-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE CCCCN(CCO)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 1872799352 HXSJHWHACVELQM-OAQYLSRUSA-N 433.577 4.748 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874284819 ZUWDJMSTDDYTAL-BUVRLJJBSA-N 442.972 4.872 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)ccc1O 1874467030 OOYHVDHEUNYOQC-ZMOGYAJESA-N 438.484 4.956 30 10 IJEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874478399 YHKSLBLGWNNCMX-ZVHZXABRSA-N 440.569 4.826 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccc1Cl 1874486846 NLRSLRLCEZRWHR-AFUMVMLFSA-N 441.988 4.520 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874517015 JJFLEANFPMHZOS-ANDSAHIGSA-N 441.988 4.907 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccccc1Cl 1874518348 OYTBCFYUFPBTHQ-FSJBWODESA-N 425.945 4.730 30 10 IJEE CCCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2ccc(F)cc2)cc1 1874536131 NGSOPNXPADVTRG-AFUMVMLFSA-N 441.532 4.599 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2COc2ccccc2)c1OCc1ccccc1 1874561362 OJDRQAWJIVQHBT-MFKUBSTISA-N 446.532 4.616 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc([N+](=O)[O-])c1OCC 1874631419 AVACFQCUYAFLMD-BQYQJAHWSA-N 435.860 4.959 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OCC(=O)OC 1874639163 LWYPVDVLXPCASJ-VQHVLOKHSA-N 430.884 4.534 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)C1CC1 1874710113 TXWZHLJMWDKWBM-FNORWQNLSA-N 437.236 4.947 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1875115907 AREAJLOIVGFIJE-NTUHNPAUSA-N 447.443 4.656 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 1875119115 FEGMCLSZJBIMOE-UXBLZVDNSA-N 439.370 4.997 30 10 IJEE N#Cc1ccc(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(Cl)c1 1885413905 MOTZQCLXJZPGGJ-UHFFFAOYSA-N 431.879 4.689 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@]1(O)CCc2cc(NC(=O)OC(C)(C)C)ccc21 1922058258 VLISHCQPTANRIQ-ZEQKJWHPSA-N 438.568 4.528 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F)NCC 1922115960 MBMHHMQIVAQGMZ-RBUKOAKNSA-N 430.511 4.925 30 10 IJEE C#CC[C@@H](CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CC1 1991313789 SVCQSAWXBRIVHE-FNZWTVRRSA-N 444.575 4.715 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)CCC1(F)F 1991565915 YOZDOEMMRJAKBH-YWZLYKJASA-N 431.524 4.951 30 10 IJEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2014634484 FXBOIZOOLUHEJC-HRAATJIYSA-N 436.557 4.852 30 10 IJEE N#Cc1ccc(OCC(=O)N2N=C3C(=Cc4ccco4)CCC[C@H]3[C@H]2c2ccco2)cc1 2040425164 QLFZWAUCSFNVLC-BWKNWUBXSA-N 427.460 4.946 30 10 IJEE N#Cc1ncc(Br)cc1Nc1ccc(Br)cc1Br 2048647340 FCXDCJRTZZALIC-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCCB3OC(C)(C)C(C)(C)O3)CC2)C1 2073338662 XKVNCHLJUOBNHL-HXUWFJFHSA-N 436.446 4.828 30 10 IJEE CC1([C@H](c2ccc(C(F)(F)F)cc2F)n2nc(C(F)(F)F)c(C(=O)O)c2N)CC1 2079971026 ASHOLHCSPPIICU-LBPRGKRZSA-N 425.304 4.730 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1F 2102881858 GAWMYBAXOPIUKX-WMZOPIPTSA-N 427.358 4.854 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@]34CC[C@@H]3CCCN4Cc3ccccc3)cc2)OC1(C)C 2151199711 STNQMBGFRSIRTE-RBJSKKJNSA-N 446.444 4.520 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1(C)C 2181106621 YFHCGKBTWIAYJQ-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)OC1(C)C 2194121145 RSNNPODSKMSHIF-YJYMSZOUSA-N 440.574 4.801 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2cc(Cl)cc(Br)c2)C3)OC1(C)C 2194124292 KXLVMODUPBWQGT-DJJJIMSYSA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCC(=O)Nc2cc(Br)ccc2C#N)C1 2203259488 RGJZEVFASVMIDH-XJKSGUPXSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(C#N)cc2Br)CCC12CCC2 2205739157 SVGUCLBEJKXIGB-INIZCTEOSA-N 434.334 4.581 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2235745490 CUFJELJGSJSVAI-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC(F)F)c(Cl)c2)OC1(C)C 2247985244 DSQFNLHMGTWUEU-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE C#CC(C)(C)C[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248454037 OQNQFRRAWBFNDA-JOCHJYFZSA-N 428.617 4.858 30 10 IJEE CC1(C)OB(c2ccnc(NCc3cccc(OCc4ccccc4)c3)c2F)OC1(C)C 2266062724 RLQGBDLDTTZLQW-UHFFFAOYSA-N 434.320 4.711 30 10 IJEE COc1ccc(C=CC(=O)c2nn(C)cc2Cl)cc1COc1cc(C)ccc1[N+](=O)[O-] 2294901422 TYIGPPALDDVINS-UHFFFAOYSA-N 441.871 4.774 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2296224148 HJVKNNPQUHQXBM-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)C(=O)C#Cc1cccc(Br)c1 2296231664 GWGXZQFFOGKOMC-HNNXBMFYSA-N 448.279 4.852 30 10 IJEE CC1(C)C[C@](C#Cc2cccc(Br)c2)(OCCN)[C@H]1OCc1ccccc1 2296271785 HEUMZVVGVGKNBJ-GMAHTHKFSA-N 428.370 4.530 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(O)(C#Cc1ccc(Br)cc1)CC2 2296288705 JVCKNGGYKYQMDC-YTXWROIDSA-N 434.374 4.637 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC1CCCC1)NC(=O)OC(C)(C)C 2296296458 NWJCWXHKVQADDW-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296305740 YBEPAHDMEZLGJQ-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CCOc1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296932897 UJMZVQMWOSKDJW-GOSISDBHSA-N 440.546 4.846 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2301432958 CJDKQFLDPVATQR-KZKAQZJJSA-N 428.617 4.903 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(F)F)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2302299120 BBRNLUCVSXSRLC-MJUUVYJYSA-N 436.543 4.512 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2305322761 ODBZBHPKLBJDAJ-RLSLOFABSA-N 428.573 4.554 30 10 IJEE C[C@@H]1[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317354117 MWQUMYAGTROANL-SJLPKXTDSA-N 430.354 4.503 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C2CCC2)ccc1OCc1ccc(F)cc1 2321901735 PYCPWTJIAOKHBL-UHFFFAOYSA-N 426.517 4.833 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(CCOC(C)C)CO2 2322328429 JBHSTXOMAFHXNN-UHFFFAOYSA-N 431.891 4.981 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3cccc(F)c3)C4=O)CC2)c1 2324187028 CQYKNEDMDFEJKS-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324405832 FXJHUCSCVUXLGQ-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OCC 2324706277 JXKAPIIZNNTJCV-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)OCCOC)c3C)C2=O)c2ccccc21 2325331935 YHNSBXRESZZLMH-KRWDZBQOSA-N 449.503 4.543 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)o1 2325377860 CCKRWLFFBGIORB-UHFFFAOYSA-N 429.428 4.753 30 10 IJEE CCOc1c(C=Nn2c(CCCOc3cccc(C)c3)nnc2SC)cccc1OC 2326958135 IDHRUMDZJSQMNL-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccc(OC)c(OC)c2)CC1 2328209739 FVZXPIFJGRCCHI-UHFFFAOYSA-N 446.617 4.726 30 10 IJEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccnc2)cc1 2329151531 VVIKMEXADLKESW-UHFFFAOYSA-N 429.549 4.778 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)NCc1ccccc1 2330875626 NNAOQPUKKMHPBZ-UHFFFAOYSA-N 441.626 4.527 30 10 IJEE CCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2cccc(F)c2)cc1 2331259855 LAOZNSVWBVUIKS-UHFFFAOYSA-N 428.533 4.569 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CC1 2331364639 MGSVQEOEUQDFCL-UHFFFAOYSA-N 425.437 4.522 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(SC)nnc2C(C)C)cc1OC 2331668695 KCFRHDVILHPLSQ-UHFFFAOYSA-N 427.368 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(c3ccc(C#N)c(Br)c3F)C[C@H]21 2361348730 XQAIMZIOHCRYRM-XJKSGUPXSA-N 438.341 4.686 30 10 IJEE Cc1cc(CN2CCCC[C@@H](N(C)Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369732248 COVVVHFRBRNXOZ-RUZDIDTESA-N 448.460 4.781 30 10 IJEE Cc1ccc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccc(F)c(Cl)c2)cc1F 32972660 ZFBQPACWPZCWEL-UHFFFAOYSA-N 445.901 4.675 30 10 IJEE C[C@H](Nc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C#N)c1ccccc1 36627680 BIHSCBBIEUYMDP-KRWDZBQOSA-N 436.537 4.561 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 41655295 ZHUDTGFSBFANPY-IWIPYMOSSA-N 442.471 4.996 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1OC 41656962 ADUFASBXVIBADZ-MYYYXRDXSA-N 443.499 4.715 30 10 IJEE Brc1cc(/C=N/c2ccccc2I)oc1N1CCCC1 59302656 HALNNIZMFZSRDX-VCHYOVAHSA-N 445.098 4.998 30 10 IJEE C=CCOc1ccc(NC(=O)CNc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)cc1 66096791 BDXCIBNMICGULB-LJQANCHMSA-N 429.520 4.793 30 10 IJEE CCCCCCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1 101284420 PACSCUPPZPJBRE-GOSISDBHSA-N 448.365 4.628 30 10 IJEE COc1cc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 102522193 SFVKVNQDHBYUPI-VFJWVMJUSA-N 449.890 4.989 30 10 IJEE O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccccc1 102904558 QDBQLIJELKVABC-LCPUNJGISA-N 434.835 4.875 30 10 IJEE COc1ccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCc3ccccc3)C2=O)cc1 105533802 IJNUORXFWCWZKZ-QFIPXVFZSA-N 445.544 4.538 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H](C#N)c3ccc(F)cc3F)cc12 111028918 LUJDERCIYSJVRF-GOSISDBHSA-N 426.423 4.807 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccc(C)c2)cc1 169970985 YZPBOWYDOUIHEO-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1OC(C)C 169976477 KRNIAUDJOBTZAK-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccn1)c1ccc(F)cc1 169999036 FMXDNVQQEJFWKO-LJQANCHMSA-N 431.448 4.613 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2)c1 170036357 NROSZBXBPMQEBJ-QFIPXVFZSA-N 444.443 4.776 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2)c1 170054669 IHESWXPXWWVTBQ-DEOSSOPVSA-N 438.483 4.955 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(F)cc2)c1 170060679 LLKCVCJAOZIAKO-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)c1 170060753 XLQKEDVDXDWJML-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1OC 170125803 XWMYPZNOBVXUCY-MWTRTKDXSA-N 435.520 4.787 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)c(C)c1 170141166 QBCYKCNKNSLVOE-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142444 SWDZGGRNGGQXES-JOCHJYFZSA-N 439.427 4.558 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC(C)C)cc1 170151720 HPMSLZVLVUHNHB-XMMPIXPASA-N 445.515 4.852 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccn1 170181996 CYEPHSXDLIIHCY-SFHVURJKSA-N 447.318 4.918 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)c1 170185496 JYYVAFLQRGSXTG-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1C 170231270 BOSSCRKCTSHGJV-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)s1 170237527 FCBOPYATAQDMHF-KRWDZBQOSA-N 428.510 4.739 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)c(OC)c1 170239506 LJRLUEVLKGCQAH-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)c1 170248432 FDNGEKAGDQCHRO-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)ccc1Cl 170274631 GGDXRWRXDPVUKG-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)cc1C 170296841 CYJWARWTEBOXPA-QFIPXVFZSA-N 435.451 4.557 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1c(C)[nH]c2ccccc12 170312377 MMHONMMYUNAWST-QKFKETGDSA-N 430.504 4.788 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 170454569 BJRJHJYYJAWMPU-NRFANRHFSA-N 428.479 4.936 30 10 IJEE N#C[C@@H](C(=O)c1cc(I)ccc1Br)c1cccs1 232469015 VLMGZICNAZGHCP-SNVBAGLBSA-N 432.080 4.605 30 10 IJEE CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1OC 254739532 LBEBIAIBSJHNIA-OXQOHEQNSA-N 425.554 4.844 30 10 IJEE C=CCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc1OCC 263632490 JEIZWNHOFIUQGD-OUUDUQSLSA-N 438.549 4.901 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(NC(=O)OC(C)(C)C)nc1 383477743 SQYUOOUAOPZCIX-UHFFFAOYSA-N 432.318 4.815 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 460781949 LMXQAEQDJMRDDX-IBGZPJMESA-N 448.523 4.512 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1Cc1ccccc1OC 460798194 MCKWTDDMQDPJNW-QHCPKHFHSA-N 432.568 4.791 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@H](c3cccc(F)c3)C3CCCC3)n2)c1 501376269 FJSYJYBSFVYZTK-NRFANRHFSA-N 448.523 4.807 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1nc(C(=O)OCC)cs1 524105564 KRDOMDITDOVIAR-QWHCGFSZSA-N 425.337 4.949 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 526488891 RPYXHSFJUYMXRR-OAQYLSRUSA-N 447.834 4.883 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)C1CCOCC1)c1ccc2c(c1)OCCO2 533711475 BSNSYTMGFZPHAO-IBGZPJMESA-N 437.536 4.619 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)c1nc(C(=O)OCC)cs1 535588834 FSDJMBCMERPASB-KRWDZBQOSA-N 448.544 4.874 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 549676257 JBINAHITYWBVIU-MHZLTWQESA-N 439.563 4.952 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 555269733 TUMUGHSLYIZJSM-HYBUGGRVSA-N 432.568 4.614 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1cccnc1 623014764 HPMQPYCRPJHVBX-HOTGVXAUSA-N 433.537 4.630 30 10 IJEE COc1cc(Br)c([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCC2)cc1OC 712312408 MDJYWDZNHJXYGH-OAHLLOKOSA-N 425.323 4.821 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 721197450 YDKGTKMWGORXGU-QAPCUYQASA-N 427.358 4.854 30 10 IJEE C=CCC1([C@@H](NCCC)c2c(Br)cnn2CC)CN(C(=O)OC(C)(C)C)C1 722937723 JGPXSRAWTOURET-KRWDZBQOSA-N 441.414 4.519 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 730151226 ICGBQJKILRJVTC-NTUHNPAUSA-N 432.432 4.517 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 735968533 IGCPZYASQRLOBZ-IBGZPJMESA-N 443.956 4.716 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN(C)Cc2nc3c(s2)CCCC3)c1=S 747474662 OTSGHIIBVWOZPM-UHFFFAOYSA-N 429.590 4.831 30 10 IJEE C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 795331954 IILDQWUJKYKSHX-PGRDOPGGSA-N 431.561 4.552 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1125817089 WHZWMLPZAQXJTI-HSZRJFAPSA-N 448.947 4.637 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1C#N 1127399511 CVFRATKZBXKZEX-UHFFFAOYSA-N 431.448 4.936 30 10 IJEE C#CCOc1ccccc1NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 1138309406 OWZLOJAMHACVGA-UHFFFAOYSA-N 445.906 4.919 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1 1156500498 PMGQQRJKEZAHKY-KRWDZBQOSA-N 429.483 4.960 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1OC1CCOCC1 1157565919 ZNIGPIAPPJAZBQ-IBGZPJMESA-N 436.524 4.572 30 10 IJEE COc1cc2c(cc1OC)[C@H](C)N(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC2 1175881930 AJJFXQULIJLJFT-KRWDZBQOSA-N 441.959 4.532 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CCN(c4c(Cl)cccc4Cl)CC3)c2c1 1186043116 GUTBRRUZWHIURO-UHFFFAOYSA-N 443.334 4.757 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 1210179329 AYMQKEWURJXBAQ-UHFFFAOYSA-N 434.851 4.761 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)c1 1215120011 RDJHCPSGLIABNQ-WMQCIHAUSA-N 429.561 4.941 30 10 IJEE CN1CC[C@]2(CCN(C(=O)Nc3ccc(Sc4ccc(Cl)cc4C#N)cc3)C2)C1 1219156629 BGWUOMMYLFJZDQ-QFIPXVFZSA-N 426.973 4.922 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 1221092932 MQRYOTBOETZADI-HXUWFJFHSA-N 446.364 4.560 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCC1)c1ccc(F)c(F)c1 1223434063 VWFIXMZTYKCRGK-FYYLOGMGSA-N 429.511 4.727 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1cc(F)ccc1Oc1ccc(Cl)cc1)[C@H]1CCCO1 1226724835 OBQUWOBQCDPCET-IFMALSPDSA-N 430.907 4.984 30 10 IJEE CC[C@H](C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)c1ccc(Br)cc1 1265124835 BFQYWNAJMZKHPV-MOPGFXCFSA-N 445.357 4.949 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)cc1C 1286280524 BKHSNQOUTCNTLX-CQSZACIVSA-N 447.377 4.917 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc(C(C)(C)C)cs1 1286361427 PDACQHZNCPLWSU-GOSISDBHSA-N 437.613 4.907 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC(F)(F)C1 1286436596 OMXAZEIPBDVMQY-CYBMUJFWSA-N 441.295 4.742 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cscc1C 1286461337 XIPVSCWKUXCELN-INIZCTEOSA-N 440.638 4.636 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 1286496135 OABKEDUCOPVSNJ-OALUTQOASA-N 430.593 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CCOC)CCCC1 1286580980 IKPFXKGKCCHXLZ-JOCHJYFZSA-N 440.588 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1286581824 VVTXXTVQQNCILU-UHFFFAOYSA-N 445.583 4.667 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1286602049 WAZXXMYRAZDRKU-QHCPKHFHSA-N 437.632 4.834 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 1286607671 JHOGOCZTSAGDCU-UHFFFAOYSA-N 436.604 4.720 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C(C)C 1286626598 BQBVTWSBRBJZNV-IBGZPJMESA-N 440.979 4.613 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1286650637 GWKBLCGDHAAYKK-STZQEDGTSA-N 442.579 4.960 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 1286659065 IRVVYOHYUNIMQQ-XMMPIXPASA-N 437.632 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1286666321 COVZIYPXJDAFPF-GOSISDBHSA-N 444.645 4.823 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286690454 JTWZZBBXBWJWAR-OAQYLSRUSA-N 439.604 4.523 30 10 IJEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1cccs1 1286711241 JWWHAALYTKWBIW-PXNSSMCTSA-N 440.569 4.642 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCSC1 1286718668 RQLXHJHDCNNXAN-GFCCVEGCSA-N 427.799 4.736 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(Br)cs1)C1CC1 1286733327 YNHLYVCLALEYHE-UHFFFAOYSA-N 440.370 4.844 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCOC1 1286740514 ORCMPXWMRXUNHE-OAQYLSRUSA-N 438.597 4.558 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCCCS2)C1 1286801555 ZQWULTQYELFODQ-VSKRKVRLSA-N 426.630 4.887 30 10 IJEE COC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)CCCC1 1299801003 GKIVFTHMRLXKAW-UHFFFAOYSA-N 434.371 4.951 30 10 IJEE C#C[C@H](NC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1)c1ccccc1 1299869308 HTCKOBLKDQTVHN-NRFANRHFSA-N 446.553 4.806 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@@H]1CCCCO1 1300565673 TXPJNPHLDKDBTG-IBGZPJMESA-N 428.939 4.550 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCCOC2)C1 1301018120 VHAZWSITWVSUJS-AUSIDOKSSA-N 430.980 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301143070 CSDMLUXYPRWNGM-UNVFRBQDSA-N 438.616 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](COc2ccccc2)C1 1301154536 UVESAFYQADJADB-NRFANRHFSA-N 431.584 4.772 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCCCCC[C@H]21)c1ccccc1 1301164079 QCDFBAYFHHWKOG-XPWALMASSA-N 435.616 4.935 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1301231703 MRSPXTWURJOHRQ-FQEVSTJZSA-N 448.596 4.844 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(Br)cs1 1301310434 OYNAZUGTHXBBLN-HZPDHXFCSA-N 439.423 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCOC1 1301365729 WVDWMHPXUOTXPC-GOSISDBHSA-N 442.560 4.677 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC[C@@](C)(O)c1ccccc1 1301367808 SNWMHEAZKZVZFU-ZJSXRUAMSA-N 438.597 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1301370423 BNCPERQLFGGMGD-KESTWPANSA-N 448.958 4.876 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)CC1 1303255808 CSIMCJJOWUAUQL-UHFFFAOYSA-N 448.537 4.716 30 10 IJEE CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1306669135 GRRQKFZOKRULQY-JOCHJYFZSA-N 432.572 4.873 30 10 IJEE CCCOc1ccc([C@@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 1307630137 FWJBMJXPEJHXCZ-OAHLLOKOSA-N 427.570 4.585 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(I)cc1)c1ccccc1 1309807169 LLIYPQULIQBXDI-GOSISDBHSA-N 441.334 4.667 30 10 IJEE C#Cc1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 1311302397 CMAWLQWEBTXCCD-FCHUYYIVSA-N 437.515 4.722 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1312131589 OPXBVEJTIFUELO-QFIPXVFZSA-N 428.598 4.643 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCCC[C@@H]1C 1315321536 FQKWOKRDPZHKJK-ROUUACIJSA-N 445.011 4.610 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)[C@@H]2C)CCCC1 1315976793 IFNBRTHXLRIZHN-OALUTQOASA-N 439.629 4.744 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(Br)c(F)c2C)c(C#N)c1C 1353603682 DVCUGVUAJSCQHI-UHFFFAOYSA-N 425.279 4.567 30 10 IJEE C#CC[C@@H](NC(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])c1ccccc1 1356594960 IWMCZHFICSAYAY-OAQYLSRUSA-N 430.460 4.677 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(CC)CCOCC1 1358951816 MVTIMBONYSZGIL-UHFFFAOYSA-N 445.007 4.528 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCc2cccnc21 1359109507 DMSYTHIKOBERLH-FQEVSTJZSA-N 447.583 4.880 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1359128831 HISBSPJUQCAEHF-HSZRJFAPSA-N 427.980 4.913 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1359153913 XBJIWKWUYPKHJO-QUCCMNQESA-N 434.053 4.774 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCCS2)CC1 1359160775 DAWFJLGJKJIGKD-MRXNPFEDSA-N 449.418 4.768 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1359173243 AEFVZMVPZLARQA-DSKINZAPSA-N 428.552 4.511 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2(COC)CCC2)CC1 1359175236 DQWIZXSTFLWFKE-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCc1cccnc1 1359258349 NWZGHZQSACBLKH-UHFFFAOYSA-N 430.943 4.824 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCOC1CCCCCC1 1359260573 ISXCQQGDZWAJKU-NRFANRHFSA-N 442.579 4.853 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCSC1 1359260994 UAQFCQPWKOUOPZ-WIYYLYMNSA-N 430.593 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H](CC)N1CCc2ccccc2C1 1359268140 FHLWOXKKKUIJSY-HSZRJFAPSA-N 431.584 4.862 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1359277245 GJSNFAYGERUCLZ-KZNAEPCWSA-N 438.494 4.904 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1359337377 QFOIUQNJJWSIGG-SFHVURJKSA-N 428.650 4.628 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C 1359341635 CKDPYWKYUMRQIE-SFHVURJKSA-N 449.665 4.691 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1435464994 MLMYJNGYBKWQAY-KRWDZBQOSA-N 440.540 4.776 30 10 IJEE N#C[C@H]1CCC[C@H](OC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1436647638 CAFORDLAHIWUCW-JXFKEZNVSA-N 441.325 4.869 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)OCC 1438907322 BHPLVQUIJINLQH-QFIPXVFZSA-N 437.927 4.820 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1446802683 AKMCLFKFWHMKRX-OAHLLOKOSA-N 440.487 4.981 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)CC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1F 1457810807 ROAXXAZKBOYLAI-KZULUSFZSA-N 436.708 4.941 30 10 IJEE C=CCn1c(Sc2cc(C(F)(F)F)c(C(=O)OC)cn2)nnc1-c1ccc(F)cc1 1458090182 SJTPDWUWRNDQNC-UHFFFAOYSA-N 438.406 4.622 30 10 IJEE C=C(C)[C@@H](CO)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 1458984290 ZZLZTGPSFURPIA-HXUWFJFHSA-N 445.972 4.928 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccc(F)c(Cl)c3)CC(C)C)cc2C1=O 1461834759 LJOJGJYFNLYYNE-UHFFFAOYSA-N 428.891 4.560 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)c1ccccc1 1467089139 GIBUIHCXOQVDGK-UKPGIYTDSA-N 442.585 4.620 30 10 IJEE C=CCC[C@H](NC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F)c1ccccc1 1469468211 JXWYSELCPWMSDK-ICSRJNTNSA-N 436.474 4.794 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(CCCC)cc3)ccc2C)C1 1470488476 SRIIEGRRKBGJMJ-NRFANRHFSA-N 438.593 4.624 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)c1 1476151546 YOFUPPUTRWDRDM-DEOSSOPVSA-N 434.467 4.766 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc(OC)c1OC 1477416063 KVAWPRTZBSOXGX-HNNXBMFYSA-N 447.373 4.625 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507694048 IGRPXTUCTRNPHL-RBUKOAKNSA-N 434.506 4.825 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1507878259 JXWXLTAAEDKGPL-LJQANCHMSA-N 427.911 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1507914325 HOAKFYWIRULZDE-QGZVFWFLSA-N 430.618 4.749 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1507916000 IMQBAEPPDWBATK-VXKWHMMOSA-N 446.636 4.677 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1507918936 ADUIZSZAMMZSCH-BHDDXSALSA-N 443.680 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2nccs2)C1 1507923522 YCHFMWADPZAOGY-KRWDZBQOSA-N 429.615 4.567 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507925845 JZAFWUUKTKZFPV-XMMPIXPASA-N 426.561 4.672 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1)c1ccccc1 1507927799 DMYIJXNSVYDBGH-QFIPXVFZSA-N 437.632 4.709 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OC)C1)c1ccccc1 1507929264 OTRINWWDUVFJPZ-IFMALSPDSA-N 437.613 4.609 30 10 IJEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1507969512 CAFDOJZFVOZQIG-KKLQWCBXSA-N 430.980 4.713 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1=CCc2ccc(OC)cc21 1507987086 OFOVNTGTFVTLPY-FYYLOGMGSA-N 436.600 4.857 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CC1)C1CC1 1507992866 GESPHWMGNCULLJ-GOSISDBHSA-N 429.609 4.738 30 10 IJEE C[C@]1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CCCO1 1510354491 GNSCKOGJYCHZKN-OAQYLSRUSA-N 431.993 4.533 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1512072640 CHXHPOBBIKAMHW-INYXTNAKSA-N 435.597 4.801 30 10 IJEE CCCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 1514455298 CYDGNYUKMVHUGG-UHFFFAOYSA-N 429.977 4.833 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)Cc2cccs2)C1 1516405071 CYLMIEBFJHMNSA-GHTZIAJQSA-N 435.597 4.762 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)NC1(c2c(Cl)cccc2Cl)CC1 1517256309 DBUDTVYRLQXTQL-UHFFFAOYSA-N 440.124 4.812 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)cc1 1521867484 YAZQEQXDZXGDBV-UHFFFAOYSA-N 439.490 4.929 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ncnc2c1c(C)c(C)n2-c1ccc(Cl)cc1 1522463861 BDJFCSXRGFJNQB-UHFFFAOYSA-N 433.899 4.903 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 1529382893 GZGDTNNPCLMVGI-JOCHJYFZSA-N 440.499 4.660 30 10 IJEE C#C[C@@H](NC(=O)c1cc(I)c(Cl)cc1Cl)c1ccccc1 1529738420 WILKZOUFOJWPPW-OAHLLOKOSA-N 430.072 4.702 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1530354795 GPZMKAPNXKBQCB-RUZDIDTESA-N 444.572 4.947 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Oc3cccc4sc(Br)cc34)cc2C1=O 1534296880 JUYQFGDAJDAQQK-UHFFFAOYSA-N 442.290 4.665 30 10 IJEE CCC[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1Cc1ccccc1 1534880539 HZKJDKMIGICWFG-HSZRJFAPSA-N 443.547 4.857 30 10 IJEE C#CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1538199653 WWOHWCDIKNWKJQ-HRAATJIYSA-N 442.353 4.622 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H](C)c1nc(C)cs1 1539390927 ZFAFTKSYKPRBQG-KRWDZBQOSA-N 448.571 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC1(C)C 1539623574 MQHPALBCWIMIFD-JXFKEZNVSA-N 430.980 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCC 1539645550 QZKCIHZBAPPJAK-QRWLVFNGSA-N 439.387 4.991 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1539841804 LFBGCGRYDMFZDU-IBGZPJMESA-N 439.604 4.913 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1539842514 LRUBUJYSSSLMLX-UHFFFAOYSA-N 431.462 4.727 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(SC)CCOCC2)CC1 1539855916 MQGPXXALFNCHAC-UHFFFAOYSA-N 449.020 4.579 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539874632 OANQUUBDCSPDHW-SXLOBPIMSA-N 428.552 4.511 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)C1CC1 1539918184 KHVFWVPTVQJURU-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539924710 XPASAIFAMKMDMR-IBGZPJMESA-N 427.662 4.843 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1539981814 NRQSCEOQVVHSAG-DLBZAZTESA-N 436.398 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H](C)C1 1540119470 JRKOHPLNZFCSSW-NWSQWKLXSA-N 440.588 4.536 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1540155256 PXAMQVUMHFIJOI-XTJBDQBJSA-N 440.563 4.755 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 1540560902 FAMJQAFWCGTNIJ-XMMPIXPASA-N 444.579 4.829 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](SCC)C1 1540861499 UAZAJGAHXHJSSE-MSOLQXFVSA-N 435.638 4.648 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)CC#N 1541817817 AQEXOHQZRPYSHY-IRXDYDNUSA-N 427.549 4.675 30 10 IJEE C=CCc1cc(CNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)cc(OC)c1OC 1544362688 JMEONWQWCZCRNP-UHFFFAOYSA-N 433.552 4.846 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1555856906 HQXPNLYERYWGDG-XXBNENTESA-N 445.608 4.694 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cn(-c4ccc(Br)cc4)nc3C)cc21 1558614892 OZRWARNOCYLMJH-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)CCCC1(C)C 1562355331 WVGRIYNMYIJFEP-QHCPKHFHSA-N 434.584 4.777 30 10 IJEE COc1cccc(COc2cccc(NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)c2C)c1 1562505865 CFUOFPICRPWTIZ-UHFFFAOYSA-N 443.503 4.749 30 10 IJEE CC(C)(C)c1csc(NC(=O)N(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c1C#N 1562850841 CVMXMFGGMHCBCR-QAQDUYKDSA-N 427.570 4.960 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1562943756 HHMUZUUFQDPGHE-RDTXWAMCSA-N 425.382 4.824 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 1564226184 IIVRAPAVGWDOJR-ICSRJNTNSA-N 431.458 4.817 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C 1564719635 LGVBNFBTHUVFEF-HRAATJIYSA-N 448.380 4.977 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCN(c3ccccc3Cl)CC2)cc1OC 1568773752 FZSINLBGNUNHPK-ZRDIBKRKSA-N 426.944 4.666 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@@H]1C 1584443440 QOAKIYSUXORGLW-HDMKZQKVSA-N 449.368 4.771 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 1586028174 ZXBTULRGCGSHDX-JGCGQSQUSA-N 446.572 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCCS1 1587593448 KLECPJCFHQNBES-GHTZIAJQSA-N 436.581 4.861 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1CSC 1587719190 VHGOJBPAHDHYNJ-GOSISDBHSA-N 433.419 4.843 30 10 IJEE C=CCCC[C@H](NC(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1589390868 UJOIULIOTNWTSI-CPJSRVTESA-N 441.572 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCN1CCC 1589600174 XOPDACLJZIGOCS-FQEVSTJZSA-N 446.437 4.984 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](CC(C)C)C1 1593735562 LAYLVJUICBLKRJ-NRFANRHFSA-N 434.588 4.596 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@H](CN(CC)CC)C2)nnc1C1(c2ccccc2)CCC1 1593932800 QJHHYNXGAVNUDU-HXUWFJFHSA-N 428.024 4.669 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1594063936 GNPFVFMNFRFBQK-QGZVFWFLSA-N 429.565 4.648 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1594430336 LHYAARYGXLYUTI-IBGZPJMESA-N 427.499 4.567 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1594608657 STAURPGIYFVDGX-UHFFFAOYSA-N 445.354 4.850 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CC[C@@H](OC)C(F)(F)F 1595094415 SSNWBKBDKSEYBC-HXUWFJFHSA-N 447.505 4.967 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1595133443 HEJBYOAOQUTUNJ-PMVMPFDFSA-N 442.579 4.913 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]2CCC[C@H]21)C(C)C 1595170692 HWXYIMJQMRKSEJ-MOUTVQLLSA-N 441.664 4.640 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1C(C)C 1595204517 DQHOHEVRNQYMFW-LEWJYISDSA-N 432.572 4.631 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCOC2CCCC2)C1 1595705865 FTKLZZZKWZDSNH-LJQANCHMSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](N2CCCC2)C1 1595844388 ASQFROSIJCKBJR-GOTSBHOMSA-N 439.673 4.804 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 1596661115 VHDMAFXLXWKLBA-SFHVURJKSA-N 447.988 4.941 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OCC 1596777553 FDBGKODEKZGTTH-ZDUSSCGKSA-N 433.744 4.921 30 10 IJEE N#Cc1ccc(N2CC[C@H](N3CCC(Cc4cc(Cl)ccc4Cl)CC3)C2=O)cc1 1615756049 DNHMZCKWVKPSSC-QFIPXVFZSA-N 428.363 4.925 30 10 IJEE C=CCCSCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 1616881254 GTHWGMKKMMUCRX-MOPGFXCFSA-N 439.021 4.716 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 1618406980 GLUFPHBLUZJZPL-FQEVSTJZSA-N 430.508 4.595 30 10 IJEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCC(C(F)(F)F)CC2)c1 1619337795 AWHIQNWCMIRFPL-HJOIGYKYSA-N 435.494 4.918 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)C1 1620239862 CATSHXFQJCVJHD-LJQANCHMSA-N 427.643 4.824 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 1627379287 PRZHZWLFAMPIRB-KDOFPFPSSA-N 445.560 4.742 30 10 IJEE COc1ncc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cc1C#N 1627437483 CBHLSHJGONWWFV-UHFFFAOYSA-N 441.413 4.610 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)CN(C(=O)OC(C)(C)C)C1 1632617159 ITIDCSPOOIEDSA-QHCPKHFHSA-N 436.552 4.714 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)nc1C 1632842698 UNRHGCZHJBEFCW-UHFFFAOYSA-N 444.973 4.501 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1F 1636567491 RZCUCTCQSPETHM-MOPGFXCFSA-N 425.262 4.729 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cc(F)ccc1OC 1638414908 FMFOQHFBJCDZIA-UHFFFAOYSA-N 439.300 4.676 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3csc([C@@H](C)NC(=O)OC(C)(C)C)n3)cc21 1639693460 CNFSIUNUSQDCRD-CYBMUJFWSA-N 427.530 4.517 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1F 1644062229 JKFIFIFCSNJOML-CQSZACIVSA-N 425.367 4.685 30 10 IJEE C#CC1(F)CN(C(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1 1644619237 UXQVMPILTNTMOR-NLWGTHIKSA-N 431.573 4.580 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 1646494663 RXCICNKABIJNJW-OAHLLOKOSA-N 425.337 4.585 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1F 1648777635 VUDSNXGTQUHCSB-CYBMUJFWSA-N 446.059 4.908 30 10 IJEE C#CCN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1649385802 XEAKWZKOEUVWPJ-ZEQRLZLVSA-N 432.564 4.805 30 10 IJEE C=CCn1c(SCCCOCC(F)(F)F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540327 NIVPVMKONBXBIR-GFCCVEGCSA-N 432.533 4.830 30 10 IJEE C=CCn1c(SCC(=O)N(CC(C)C)C2CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652349119 MXGKGBJTIGIEKT-OAHLLOKOSA-N 445.654 4.508 30 10 IJEE C=CCn1c(SCc2cnn(CC)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1652412657 YLEATLSJCLACAB-UHFFFAOYSA-N 441.557 4.662 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C 1652418199 WNZDGECNCMTQOB-UHFFFAOYSA-N 433.577 4.802 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c(Cl)c1 1653072954 OAMHDIGNSFPMSY-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCn1c(SCc2ccn(-c3ccccc3F)n2)nc2sc(C)c(C)c2c1=O 1656057854 BZOUSXQVUJQFEY-UHFFFAOYSA-N 426.542 4.878 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 1657511017 XJGILCNCTILXKD-MSOLQXFVSA-N 437.393 4.562 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(O)(c2ccccc2)CC1 1662577276 LUGOHLIUWQWYFG-UHFFFAOYSA-N 431.330 4.529 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)cc(OC)c1OC 1667711245 MQIVXACBQWURET-HSZRJFAPSA-N 437.584 4.551 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(F)(F)F)s1 1669894065 BPCYMGLCQZVEPR-JTQLQIEISA-N 442.406 4.889 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1ccc(C(F)(F)F)cc1 1670826263 BLHJYNUGCIUPIZ-IBGZPJMESA-N 436.453 4.779 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCN(CC)c1ccccc1C 1672209987 NJWRQKCWQNOYID-UHFFFAOYSA-N 432.362 4.970 30 10 IJEE C=CCCC1(CNC(=O)NCc2ccc(I)c(C)c2)CCCC1 1682164854 CGEDVCXRURQGKS-UHFFFAOYSA-N 426.342 4.925 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 1683106286 DFDRJKGJRQRQOP-SFTDATJTSA-N 429.358 4.719 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@H](C)C1 1689917851 IKDKELPXPOHZSV-CYBMUJFWSA-N 439.810 4.716 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC(C)C)nc1 1690007814 KIXJUTZPNWSFAO-UHFFFAOYSA-N 441.579 4.546 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1690159626 HKXWTCNXSFMUOR-VDGAXYAQSA-N 446.567 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690241431 SDJAPOBXFAFAGU-AQNXPRMDSA-N 445.489 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CCC(C)C 1690241655 VUHVTYSLFYVZLM-GOTSBHOMSA-N 432.572 4.564 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CN(C)CCCC)CC1 1690277230 JPHIMQRAPCGZFG-UHFFFAOYSA-N 449.441 4.560 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@H](C)c2cc(F)ccc2F)nnc1[C@]1(OC(C)C)CCOC1 1690354571 VJEVAJCEVPMXAS-VFNWGFHPSA-N 440.922 4.547 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCOCC(F)F)CC1 1690417492 UPCYNFCJFQZOJB-UHFFFAOYSA-N 442.963 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690428490 RPJUGSGIOAQKPQ-UHFFFAOYSA-N 433.604 4.851 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1690482949 DZJRPZIGJADKGQ-PGRDOPGGSA-N 445.558 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1690519525 MSCVAHBMNRQSCB-SFHVURJKSA-N 433.984 4.770 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC[C@H](O)C1 1690519711 UYIFFCZNAJVWBC-LPHOPBHVSA-N 426.561 4.986 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1690605721 VDDQCSLBXUFIPS-BVAGGSTKSA-N 445.567 4.993 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)OCC)C1 1690690365 XHZASQNLMAUWEZ-MRXNPFEDSA-N 439.387 4.848 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H]1CCO[C@H](C)C1 1705606716 DENOXZKKXWKLDK-IPMKNSEASA-N 426.630 4.796 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705655411 MBOIVKFXSMZNAW-HKUYNNGSSA-N 446.567 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H]1CCOC1 1705677614 VVSWPGDLTCOUBB-HFZDXXHNSA-N 436.600 4.708 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 1705683655 OFZIOBPBXSTVBR-VXGBXAGGSA-N 440.183 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CCSC1 1705698047 ZBUDJHJJYBFASC-GMBSWORKSA-N 436.984 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncc(CC)s1 1705711927 VDPBMNHMOMBJJE-UHFFFAOYSA-N 435.395 4.505 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](SC)C(C)(C)C)CC1 1705771932 FVLDSDNBECJIKX-FQEVSTJZSA-N 425.602 4.663 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(CCOC)CCCC2)CC1 1705772573 REMYEXZFMMSDKV-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1705778137 LBSYSCTUKMAZSM-RBBKRZOGSA-N 439.560 4.707 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CC[C@@H](F)C2)CC1 1705785693 SCQQJSLRYDDCOZ-WOJBJXKFSA-N 428.552 4.796 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1705838563 UAMLPRNMKCSCMD-AWEZNQCLSA-N 437.947 4.521 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)s1 1705879521 BVVWORBORQILES-UHFFFAOYSA-N 439.972 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)NC1CCCCC1 1722468197 GKLJFEQBGGPEBF-WNCULLNHSA-N 447.627 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC1CCCCC1 1722469658 ILBYKQSPIVVCNL-XMMPIXPASA-N 437.544 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(CC)s1 1722474775 KMTUMDDFDVTFII-YOSAUDMPSA-N 426.630 4.861 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 1722479050 AHJGPCABNHYIGO-UHFFFAOYSA-N 427.799 4.839 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC1CC(F)C1 1722505628 RSSNGSSLVMQPNN-VEPLXINESA-N 442.579 4.639 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Cl)s1 1722510338 QXHMTYBOEURJBA-LAUBAEHRSA-N 444.004 4.596 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)CC(C)(C)C1)c1ccccc1 1722596112 CKWMDLOCNURNQB-IFMALSPDSA-N 435.616 4.633 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722609794 FTWQSIJGSDQYCC-IRLDBZIGSA-N 434.588 4.937 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722612975 ZIMYUMQTSBPRRJ-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1Cc1cccnc1-n1cccn1 1722658666 IDWLKNRHVPMEAD-LJQANCHMSA-N 445.546 4.752 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CSC)c1 1722663990 NBOQQDXFQRNZOV-HXUWFJFHSA-N 440.638 4.947 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nccc(C(F)F)n1 1722667473 ZSARPOPLUALZDH-UHFFFAOYSA-N 446.889 4.561 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722669756 LPIVMQHJVGHENW-KRWDZBQOSA-N 429.540 4.518 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(C)(C)C)C1 1722739064 DXGYCOAHGVOLQE-NRFANRHFSA-N 444.645 4.590 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H](C)c2nccs2)CCC1 1731060085 DTXNXTSJBSPGLX-INIZCTEOSA-N 438.626 4.799 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCOC[C@@H]1C 1740632316 HZJCYMNOWUXANN-DLBZAZTESA-N 438.984 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccsc1 1740730081 SSDWCYMGTWQTGZ-XMMPIXPASA-N 436.581 4.844 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCC(C)C 1740763362 KEZPJTCBDIBQRP-XUZZJYLKSA-N 426.605 4.937 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1740820164 UCFSERSQFQZRQH-IBGZPJMESA-N 441.576 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740848912 UJBCJTRDYHRPEC-LJQANCHMSA-N 427.549 4.708 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C)(COC)CC1 1740850176 CXNCYUVNZCBYFH-NRFANRHFSA-N 440.588 4.646 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)C1CCCC1 1740875286 YUSKNHYLHQPLSY-UHFFFAOYSA-N 434.588 4.971 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 1740984128 WMESZUGMNWSACN-XJUOHMSHSA-N 430.637 4.633 30 10 IJEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1CCC[C@@H]1CC 1744690823 BOHPQIBTDCLSSJ-OALUTQOASA-N 426.996 4.518 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1748724679 HFHYBINDUKHVNJ-UHFFFAOYSA-N 434.628 4.697 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1748734623 JSUXUIUFSAJUJG-ZDUSSCGKSA-N 448.315 4.925 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H]1CC 1748837976 UCANXPWECFGFOQ-ROUUACIJSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCC1(C)C 1748938937 JNIILZAERQEHCI-MOPGFXCFSA-N 429.609 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(c2ncc(C)s2)CC1 1749119276 PSCLFKFZWDXMRM-DBVUQKKJSA-N 429.634 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCC[C@@H]1C 1749171576 YJTOBJBOZQNMAY-BHDDXSALSA-N 431.669 4.864 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1749183079 NINAKYACWCXLRN-QUCCMNQESA-N 428.577 4.712 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1749445446 ONWLWUINQXHAPB-IAGOWNOFSA-N 448.409 4.645 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1749448374 ZCWSSIMUMYHPJN-IRXDYDNUSA-N 433.394 4.701 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@@](C)(CC)O1 1749473784 QYLKCDVWSDIZRH-FZKQIMNGSA-N 425.396 4.739 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCCCO1 1749531879 PNPPCFAUIWYXMR-QFIPXVFZSA-N 431.540 4.870 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@@H](C)N1CCCCC1 1749570821 CDWXORWHXUBGGN-OAQYLSRUSA-N 432.616 4.880 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1749751548 YOPFBAJLCJNBOI-AVRDEDQJSA-N 437.613 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)CN1CCCCC1 1760098718 WFDODEZIDBZNEU-NWSQWKLXSA-N 437.632 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1C(F)(F)C12CCC2 1760103816 MNZUPCWZSCDQFM-YOEHRIQHSA-N 449.343 4.909 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760163079 YACWBLAXFHXKPA-WOJBJXKFSA-N 443.636 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccccc1CN1CCCC1=O 1760339447 IUMWKVJVOURXAV-UHFFFAOYSA-N 449.624 4.504 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760354286 VEVYXLMRFGIDAY-IRLDBZIGSA-N 441.620 4.530 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CCCO)CC1 1760368610 HYWOYILFTFPGOJ-UHFFFAOYSA-N 445.814 4.511 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCC[C@H](C)C2)CC1 1760392084 CIICNQRPYTUBHH-NRFANRHFSA-N 441.595 4.665 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nccnc2C)CC1 1760421993 GERAEDLLXGLCHS-HSZRJFAPSA-N 445.615 4.601 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCC2)C1 1760422237 JSWBAFYKJUAYOL-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC)c1OC(F)F 1760458688 QIOZTRCZFIQALQ-UHFFFAOYSA-N 449.889 4.664 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nccc(C(F)F)n1)C1CC1 1760471910 NPHNPFNXTQYGFL-UHFFFAOYSA-N 446.889 4.538 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1760482709 NUBYHYZSLINZFM-UHFFFAOYSA-N 439.604 4.536 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCOC[C@@H]1C 1760501151 IAAPUVDAYHPUDU-PZJWPPBQSA-N 438.547 4.509 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCOC[C@H](C3CCC3)C2)cc1 1760529405 FSVAZKZAHZKTMG-JOCHJYFZSA-N 438.616 4.733 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCSC(F)(F)F)C1 1760538122 WBTSPRKNGOCBKL-MRXNPFEDSA-N 449.502 4.528 30 10 IJEE Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)c1c(C)noc1C 1761617919 DOBBPFGBDKJQER-AWEZNQCLSA-N 447.568 4.627 30 10 IJEE COCC1(CCn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@H](C)C#N)CCC1 1770818440 GQXFYKXGGROTAX-GOSISDBHSA-N 432.572 4.604 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1772543337 DLJUBEGVSUGHIC-HXUWFJFHSA-N 442.560 4.819 30 10 IJEE O=C1Nc2ccc(F)cc2/C1=C1\SC(=Nc2nccs2)N(C2CCCCC2)C1=O 1772734155 MHGHWNANMCWRPP-SPGQSDSFSA-N 428.514 4.541 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860962726 FWLKSWLHMFCSTK-LJQANCHMSA-N 434.584 4.749 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2)cc1C 1862397913 NKXCQDZXVTWEDU-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1C(=O)O)c1cccc(Cl)c1 1862447096 HVJDYPNVDGUDLR-NRFANRHFSA-N 447.874 4.817 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1 1862520505 JPDMGIYLCQMYAM-QFIPXVFZSA-N 439.508 4.566 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCO)cc1 1862583764 JQDYTSHULYDEIS-IBGZPJMESA-N 434.319 4.687 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862592300 ZXYXLHHHGYVKST-JOCHJYFZSA-N 449.890 4.703 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1 1862620495 SVNXQTYVCGOODU-OAQYLSRUSA-N 433.504 4.511 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862687495 LTAGKOJUDZEGGD-XMMPIXPASA-N 443.499 4.530 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCC)C1=O 1863518757 XJYNBFIKYJKQQI-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc(F)cc1 1864796826 BTWQOPZDKUNKOE-FQEVSTJZSA-N 442.579 4.776 30 10 IJEE C[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867117207 NOBJTGRIKYTCMN-KKSFZXQISA-N 433.458 4.502 30 10 IJEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)c1ccc2cc(Cl)ccc2n1 1870162628 WTIYLZDWVVRXNT-UHFFFAOYSA-N 443.681 4.900 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CSCc1ccccc1 1870205229 VUZCDBWVKONHSS-UHFFFAOYSA-N 434.561 4.794 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(C(C)C)cc2)cc1=O 1871005360 BUURYHMAXMSARX-UHFFFAOYSA-N 430.548 4.847 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871219357 HIEZDWXMTNTSGH-UHFFFAOYSA-N 444.535 4.679 30 10 IJEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871254004 MOSAAPRCPUBZQK-UHFFFAOYSA-N 441.535 4.978 30 10 IJEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871394692 LNQYNBXMWDSAMX-MSXFZWOLSA-N 441.483 4.604 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871416002 GHMGCWXITWGPHA-UUYOSTAYSA-N 431.400 4.577 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872406036 JYUPMJILFHXQSL-CQSZACIVSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)cc1C)c1ccccc1)S(=O)(=O)CCCC 1872577637 LAPXPACGNXDXIG-QHCPKHFHSA-N 444.597 4.691 30 10 IJEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759275 JHERDTDULGGIAE-KRWDZBQOSA-N 437.433 4.744 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(C)c2)cs1 1872765828 XVQPQJBKVLUIPV-GOSISDBHSA-N 434.517 4.947 30 10 IJEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872773217 LAPDJQQQRNEAOJ-INIZCTEOSA-N 436.445 4.564 30 10 IJEE COc1cccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c1 1872782160 FWHUHQFQHXJLKI-HNNXBMFYSA-N 428.897 4.979 30 10 IJEE C=CCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1873062872 WFGUNBXUZKRGBV-UHFFFAOYSA-N 448.444 4.749 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1C(=O)O 1874244797 OFQPLSMTZUMWJA-MFKUBSTISA-N 436.581 4.896 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1c(F)cccc1Cl 1874277514 VLLBTHWCFCDBFG-HJQVIKLGSA-N 437.972 4.569 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)cc1 1874303483 AYTOFFRRCLFJKX-JVWAILMASA-N 447.539 4.976 30 10 IJEE COc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1ccc(C(C)C)cc1 1874315042 XRDDQZDWBBICRZ-KOEQRZSOSA-N 438.597 4.552 30 10 IJEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874331250 CWIHMAAECVPWQU-PCLIKHOPSA-N 436.581 4.836 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCc3ccccc3C)nnc2SCCCO)cc1 1874363667 QOYFUSPESOMUCB-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE Cc1ccsc1/C=N/n1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1 1874415418 OWAHPOGQNNXCRJ-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(O)c1 1874473529 ITPSMQICELWIGW-MFKUBSTISA-N 448.548 4.509 30 10 IJEE Cc1ccccc1COc1ccc(/C=N/n2c(SCCCO)nnc2C2CCC2)cc1 1874497009 PLWIGPRFUGIXLW-PCLIKHOPSA-N 436.581 4.790 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1cccs1 1875157949 WYKKMCKVURDGKK-BJMVGYQFSA-N 426.465 4.949 30 10 IJEE CC(C)[C@@H](Cc1ccccc1Br)C(=O)N1CC=C(c2cncc(C#N)c2)CC1 1890171722 YCGAFIISBSXHSG-OAQYLSRUSA-N 438.369 4.846 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(OC)CCN(C(=O)OC(C)(C)C)CC1 1922066811 WYTKTUKIPJFTLB-JOCHJYFZSA-N 432.605 4.544 30 10 IJEE N#Cc1ccc(Br)c([C@@H](CCCC(=O)O)NC(=O)OCc2ccccc2)c1 1951859004 ZGIVENAHGZMYCP-GOSISDBHSA-N 431.286 4.543 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1953131838 HVMMYLWGLMKPEV-SQJMNOBHSA-N 435.524 4.775 30 10 IJEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC3CC3)c(Br)c2)OC1(C)C 1961709923 FMJQDRCWDJGDPC-UHFFFAOYSA-N 443.194 4.560 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 1993737293 DODQKEURHZFVAL-GUDVDZBRSA-N 425.614 4.519 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(N3CCCC3=O)c2)cc(Br)c1O 2041454932 BALNMBIKTWLAKD-UHFFFAOYSA-N 430.298 4.576 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NC 2047966178 WYQBDFDXEVNRSI-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(O)c1 2079048069 QGLASSYMTVAZQZ-AWEZNQCLSA-N 431.224 4.556 30 10 IJEE N#Cc1c(C(F)(F)F)nn(-c2cc(F)c(F)cc2Br)c1Br 2080328506 XJWYBMXYGBVZOY-UHFFFAOYSA-N 430.956 4.566 30 10 IJEE COC(=O)[C@@H]1C(=O)C(C)=C2O[C@]3(C[C@]2(C)[C@@H]1C)[C@H](C)CC[C@H]1C(C)(C)C(=O)CC[C@@]13C 2080459290 XKJJMXDQESYKLS-GATCDZAESA-N 430.585 4.875 30 10 IJEE N#Cc1c(C2CCC2)nn2c(Cl)cc(-c3cccc(I)c3)nc12 2081180325 CRROTCMEGSFMRP-UHFFFAOYSA-N 434.668 4.793 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2110506475 KOFLKXYLNBYPCD-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)cc(F)c1C#N 2118198493 HLONFKBBKUZISB-QWHCGFSZSA-N 426.330 4.589 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2118206070 VQRSUOLCJSRNMY-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1Cc1ccc(Br)cc1C#N 2174558596 BSECEVBWLAHVIT-KSSFIOAISA-N 436.394 4.834 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)cc(F)c2C#N)CCC1(F)F 2174812375 KKAUSOJKYHGXHR-HNNXBMFYSA-N 448.283 4.589 30 10 IJEE CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(C#N)c1 2180921779 QRLJWEOZZPFCHK-MRXNPFEDSA-N 438.366 4.979 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2227464798 VQHBUSRQOAGYDY-SJLPKXTDSA-N 435.387 4.716 30 10 IJEE C=CCC1([C@@H](NCC)c2cc(Br)nn2CCC)CN(C(=O)OC(C)(C)C)C1 2232453817 ACTSGIPDCWHHSX-KRWDZBQOSA-N 441.414 4.519 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2235735621 ZTNXAWDYRZYKEN-YJBOKZPZSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](O)C#Cc2ccccc2Br)CC1 2235739075 FQZKQNPVBMRAJH-LJQANCHMSA-N 436.390 4.835 30 10 IJEE C#CC[C@H](C[C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237402499 LBPJCIUVTAOOPG-RLLQIKCJSA-N 435.406 4.652 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)C2CCCC2)cc1B1OC(C)(C)C(C)(C)O1 2247818391 ZHYVOJWANPHOGM-UHFFFAOYSA-N 425.403 4.941 30 10 IJEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2255831381 UXWYAVFSZQJZQF-QGZVFWFLSA-N 442.434 4.828 30 10 IJEE C=CC[C@]1(COc2ncc(Br)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2272148206 HCCJTZQXQXAODD-IBGZPJMESA-N 429.330 4.955 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2296222387 RHKAUJBDQOHBKA-NBYUQASBSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296231302 CCTKVHQJTAMYTN-RADWXHQJSA-N 432.358 4.843 30 10 IJEE CC1(C)CC[C@@](N)(C#Cc2cccc(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2296231603 GBONPJYIRRBVII-JTSKRJEESA-N 435.406 4.849 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2296274799 WFSCGAJIJFVLIR-PMACEKPBSA-N 431.374 4.558 30 10 IJEE CCCOc1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297059807 KPMMIGRMHRKJBV-OAQYLSRUSA-N 434.517 4.554 30 10 IJEE C=CCOc1ccc(C=C2N=C(c3ccccc3Br)OC2=O)cc1OCC=C 2297455704 CJYUBIUKPNPMKQ-UHFFFAOYSA-N 440.293 4.923 30 10 IJEE CC[C@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317359040 VYZAZQUHXAQKAA-QIXNEVBVSA-N 432.370 4.798 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C(=O)OC)o2)cc1 2321000273 SHFCMCLOFJNFDC-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1[N+](=O)[O-] 2322974929 SZXAYXFZPMIFST-UHFFFAOYSA-N 436.445 4.558 30 10 IJEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323038255 FKHGHXQJXCNUQO-UHFFFAOYSA-N 442.638 4.795 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCCCO)c2)cc1OCCC 2323117173 ORAKPVOZHOXLJK-UHFFFAOYSA-N 428.525 4.930 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)c(OC)c1 2323226539 YNPFLHJPXGDMQM-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OCC(=O)OCC(C)C 2323579694 KSJXEJJCRUQAHT-UHFFFAOYSA-N 426.509 4.876 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCC(=O)OCCC 2323579920 RJYBZERNALCOMV-UHFFFAOYSA-N 438.520 4.969 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)cc1OCC 2325648671 AZBJAAAHEBOPMM-UHFFFAOYSA-N 437.414 4.994 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(OC)c(O)c1 2326906499 ARJYMJRXJSDVFD-UHFFFAOYSA-N 426.586 4.745 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1cccc(OCCC)c1 2328297980 VVJAWPDVAQKTBL-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)c1 2328638893 ZKXNZOGUEKXYNB-UHFFFAOYSA-N 429.549 4.641 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cc(OC)ccc1OC 2328961722 BJQNOVIMZOWPLU-UHFFFAOYSA-N 436.581 4.858 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2)cc1 2330952892 FXMIOHGCLIRSBY-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cn(C)c2ccccc12 2331688043 VEIQDNLHTDCCSB-UHFFFAOYSA-N 434.525 4.976 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332188397 JZCSIWKSCTVMHT-UHFFFAOYSA-N 436.661 4.890 30 10 IJEE Cc1cc(Oc2cc(Br)cc(I)c2)c(C#N)c(C)n1 2338887131 MRWHJOYFBJSUPW-UHFFFAOYSA-N 429.055 4.730 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339576196 FMJNALMYDBFSGK-QHDCNBPGSA-N 441.381 4.536 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339580708 FXDGHZZFPZXPDX-PKMDAXGDSA-N 444.381 4.751 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1cccc(OC)c1Br)C(=O)OC(C)(C)C 2363130124 PQYHIIBPMLMMEC-QGZVFWFLSA-N 439.394 4.759 30 10 IJEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 9054374 FCVGKYNNSYFEOJ-AGIMELGASA-N 428.891 4.617 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCCC)cc2)S/C1=N\c1ccc(F)cc1 20101883 LHOQCAABFFVFRQ-UOODYVSWSA-N 441.528 4.761 30 10 IJEE CCOC(=O)c1oc2c(c1C)C(=O)/C(=C/c1cc(OC)c(OC(F)F)c(OC)c1)CC2 32915300 FXJYIELNLVVJFY-MDWZMJQESA-N 436.407 4.596 30 10 IJEE CC(C)c1nc(C#N)c(N/N=C/c2ccc(-c3cccc(I)c3)o2)o1 33959260 UQCKCCCOAACABJ-UFFVCSGVSA-N 446.248 4.980 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1 34955417 JSLHZKZQUBRTRV-QPEQYQDCSA-N 448.471 4.836 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)c1OC 41355727 DPFGLEMPLRXDEW-JCMHNJIXSA-N 430.456 4.777 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)NC1CC1 59310299 KNXFBJJYPMNYSZ-BRJLIKDPSA-N 440.532 4.519 30 10 IJEE COc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100294908 PYCPEVSLPDFBEH-FPEJUQHSSA-N 445.544 4.856 30 10 IJEE CCOc1ccc(NC2=C/C(=N/S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 100822243 FAHXMXYJADTHIA-CLCOLTQESA-N 438.530 4.517 30 10 IJEE Cc1cccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCc3ccccc3)C2=O)c1 105533141 YPUNSMIWSBLIJJ-QFIPXVFZSA-N 429.545 4.838 30 10 IJEE COc1ccc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1Br 169940572 LQTGGXUDWDEMSB-FBHDLOMBSA-N 445.342 4.986 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccn2)cc1 169994896 YYPCSCVZWKYGIR-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccnc2)cc1 170007102 GQEXJTZQAYDVDJ-DEOSSOPVSA-N 428.488 4.582 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 170063781 KBHJXCLQEDQURL-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(C)o2)c(C)c1 170103115 YFASAGJKVROJTJ-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)ccc1Cl 170138310 CBJXQTDQORAZLF-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccc(OCCC)cc2)C1=O 170142879 WOSBWXCTRPNBOO-UHFFFAOYSA-N 445.563 4.844 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)c(OC)c1 170155739 LVYLUIITJVSCDL-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)c1 170231126 BKZIPCOYYOTWIL-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299335 CJIJZGDPESDVFN-LJQANCHMSA-N 440.358 4.557 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)o2)cc1 170301530 SWXVFSUWDHTXSD-NPMXOYFQSA-N 445.471 4.703 30 10 IJEE CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C1=O 229658252 MPDMMYBNLJZURQ-NNLCKWJRSA-N 443.544 4.867 30 10 IJEE CCOc1ccc(NC(=O)C[C@H]2S/C(=N\N=C3CCCc4ccccc43)N=C2O)cc1 254309634 BETYBEKMGUUOLX-HXUWFJFHSA-N 436.537 4.582 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCC 406917063 QUASWWLLBIVOQA-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCC(C)(C#N)CC3)c12 507839624 DPWBWGCHFPGEPX-UHFFFAOYSA-N 428.414 4.983 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1COC 508183285 QTMPEDXFASSRIP-UHFFFAOYSA-N 434.290 4.724 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 508496009 BTBNQJXIGMXEAO-GOSISDBHSA-N 434.487 4.713 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)c1OC 526491572 VUXHPRQWALSDOW-QHCPKHFHSA-N 426.472 4.941 30 10 IJEE N#Cc1ccccc1N1C(=O)C(SCc2ccco2)=C(N2CCCc3ccccc32)C1=O 526692798 GNCOWHBMDHQOPE-UHFFFAOYSA-N 441.512 4.622 30 10 IJEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C\c2cc(Br)ccc2O)c1 526809731 MJYMRMFJQKBQBD-FBHDLOMBSA-N 431.359 4.846 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)CC2)c(F)c1 560765427 SHPNQEKLLAAXOY-ROUUACIJSA-N 448.416 4.769 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)CCCCC)CC1 581059783 KKPUMPNKLOBOAA-UHFFFAOYSA-N 444.023 4.764 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)Cc3ccc(Cl)cc3Cl)c2C#N)C1 586346991 JMQOFIWSTMTALK-RNUGCUGFSA-N 441.405 4.939 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2sc(CC)cc2C(=O)OCC)c1 586684665 MZXZEOOGBISLBW-UHFFFAOYSA-N 441.553 4.945 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1 735969692 NIUVCYWURBUSRK-SFHVURJKSA-N 447.919 4.547 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccco3)c2=S)C1 1116538938 GEHKNCAKDAZBML-LJQANCHMSA-N 430.961 4.610 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1125602854 JBGXXBVLOMPOFQ-YLJYHZDGSA-N 430.545 4.784 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3-n3cccc3)CC2=O)cc1Cl 1125848059 HJXQBFGKMMKMAJ-HNNXBMFYSA-N 439.302 4.647 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 1126159978 IYYSQFRVEFCSJP-UHFFFAOYSA-N 426.520 4.747 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCc2ccoc2C)c1 1126247014 IYKRFPFFSRZZIO-UHFFFAOYSA-N 444.940 4.553 30 10 IJEE C=CCCCCCN(C)C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1126397816 DFCGRBRWBKIAJN-SFHVURJKSA-N 444.572 4.784 30 10 IJEE C#CCOc1ccc(CNC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1129126545 BMHVGRIWHAICQU-JOCHJYFZSA-N 440.584 4.522 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)c1ccccc1 1133167529 AFFHORGOQNLFMN-VQTJNVASSA-N 428.326 4.744 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 1141492201 HGZJIIJPTPJMIM-QHCPKHFHSA-N 433.017 4.942 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 1141609436 ITCMMDKHSAFRAF-RXVVDRJESA-N 443.588 4.630 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(C)o2)c1 1147962446 TZLZOBPSMABDQY-UHFFFAOYSA-N 445.928 4.578 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 1162667602 FNHOSIIMZOSXME-ZDUSSCGKSA-N 445.441 4.516 30 10 IJEE C=C(C)[C@H](NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(F)c(F)c1 1169471781 BPNZRYJOVHKDMB-DEOSSOPVSA-N 442.506 4.529 30 10 IJEE CC1CCN(C[C@H]2CCCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)CC1 1190650318 AZWDOUWBIMYWFI-WOJBJXKFSA-N 442.673 4.660 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(CCN(Cc3ccccc3)C2)CC1 1192990580 RGLJJGFSTUJHEU-JOCHJYFZSA-N 437.653 4.639 30 10 IJEE N#Cc1sc(NC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)nc1Cl 1219069302 GEVZJSRDGZOBQQ-AWEZNQCLSA-N 430.896 4.956 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)Oc1ccccc1F 1228881211 IRZHYTDZJBAAIH-CQSZACIVSA-N 439.300 4.892 30 10 IJEE C#CCN(C(=O)NCc1c(C)cccc1C)[C@H]1CCOc2ccc(Br)cc21 1230693210 DSPLEOYFOZKFSV-FQEVSTJZSA-N 427.342 4.735 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1)c1ccc(Br)cc1 1252457866 GJBIGMRTLQIDDW-PMACEKPBSA-N 443.341 4.506 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)c1 1264919149 JZSDRSHLPJNWPK-UHFFFAOYSA-N 442.540 4.973 30 10 IJEE CCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H](Cc1ccc(F)cc1)C(C)C 1265480710 HHLAEENDKWKAFB-HYBUGGRVSA-N 425.523 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCC(C)(C)C 1286302957 WFPHYIRMCMZEAD-INIZCTEOSA-N 433.394 4.904 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCCC2)C1 1286316875 MKZBYCJGWWEQFA-HXUWFJFHSA-N 440.563 4.900 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 1286318659 VRRDDNXUOGXXSB-PMACEKPBSA-N 445.007 4.965 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1286533275 GDKFLLZLPFDZJB-UHFFFAOYSA-N 445.317 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1286571322 LRTYIKKVCJAJJF-UHFFFAOYSA-N 429.572 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1ccnc(OCC(F)(F)F)c1 1286571573 QUKJYEPSDXBBCY-UHFFFAOYSA-N 449.452 4.871 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1286621368 CHHMNPDHCJQAQY-UHFFFAOYSA-N 439.785 4.854 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCOCC2CC2)CC1 1286656687 UDJVXYBTVHPACB-UHFFFAOYSA-N 430.980 4.826 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1c(C)noc1C 1286741160 HLBUEJWGPQSGNC-VGOFRKELSA-N 446.555 4.602 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)CCC 1286747715 PLNMJVHUPFIMRR-QHCPKHFHSA-N 443.954 4.876 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccsc1 1288943163 GPSNHOUCJSLNBG-XOBRGWDASA-N 431.924 4.623 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc(C2CC2)nc1N)c1ccc(C)c(C)c1 1293122876 LGKDYOMNLXSUKW-UHFFFAOYSA-N 428.536 4.965 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 1295027192 CXVGHJIPXDOKIV-YJBOKZPZSA-N 446.523 4.611 30 10 IJEE COc1ccc2cc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)sc2c1 1297320859 BGGPMCHJRRMEHI-IBGZPJMESA-N 425.941 4.586 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1nc(C)cs1 1300275132 QHMFVUJINNPGLI-PVAVHDDUSA-N 427.549 4.584 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC2(CCC2)C[C@@H]1CC 1300741238 QKBCJBRMIIOEIM-INIZCTEOSA-N 448.434 4.561 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](c2ccco2)C1 1300856706 IDVXJHRHVUQVQO-GOSISDBHSA-N 427.346 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCOC[C@H]1OC 1300904716 FHOPBZCOIXDSRF-CMKODMSKSA-N 444.645 4.585 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1300964183 QTLHFMMDQSLTQG-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=C(Cn1c(-c2ccc(Br)s2)nnc1N1CCCOCC1)c1ccccc1 1301007107 CMHDORFGIBKZMD-UHFFFAOYSA-N 445.386 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1301143260 GSGZJRCDSZASSW-FQEVSTJZSA-N 447.583 4.938 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301176954 NLNDGTVPTMJSDI-QHCPKHFHSA-N 447.631 4.989 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1301182116 DWSIZAVIVKFBTK-UHFFFAOYSA-N 434.563 4.548 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1301187924 FANGANXUXCBARC-UHFFFAOYSA-N 428.596 4.936 30 10 IJEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 1305250352 BJAZVLNLJINSAA-UONOGXRCSA-N 430.002 4.910 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCc3sc(Br)cc3C2)cc1 1307933623 GACJTGAWLDVGSD-OAHLLOKOSA-N 432.387 4.513 30 10 IJEE C#Cc1ccc(NC(=O)N(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)cc1 1311302955 XNWVJAAQDLPJCL-IBGZPJMESA-N 443.341 4.652 30 10 IJEE C=CCC1(CNC(=O)N[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CCCC1 1312366849 NVJHNZAOBZUFFA-TZIWHRDSSA-N 435.971 4.965 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)CCCCC1 1354833677 DWVWSNFUFFOSLC-UHFFFAOYSA-N 433.599 4.526 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1 1355910873 LFGPNBRVECMFIO-DEOSSOPVSA-N 429.564 4.521 30 10 IJEE CC[C@H]1[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN1C(=O)OC(C)(C)C 1356209199 BVYRSWFIIRMXAT-UXHICEINSA-N 436.512 4.720 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(F)(F)c2cc(Cl)ccc2OC)cc1 1357629900 GIABSFNOXMPAGP-UHFFFAOYSA-N 434.870 4.893 30 10 IJEE CCOC(=O)c1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[nH]c1C 1358086380 CDTDETJYPMIWOI-UHFFFAOYSA-N 437.883 4.856 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1358877024 VVUSJOYZZIAZQI-LVQVYYBASA-N 449.368 4.508 30 10 IJEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1ccc(Br)o1 1358926755 AWXYWAZSUHZXEZ-UHFFFAOYSA-N 438.329 4.832 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCS1 1358969390 OAWSFIDHHWDPFB-UYAOXDASSA-N 443.016 4.657 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1(CC(C)C)CC1 1359012962 FKNJEPMMYUESRH-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)CCC(C)C 1359071108 DKLUVPPIKJAZTB-RPWUZVMVSA-N 429.008 4.702 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC(CN2CCCCCC2)CC1 1359076409 AUYQIEGQNWHZGV-QGZVFWFLSA-N 438.458 4.793 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1359133899 DJKQXRKGCZDQLS-UHFFFAOYSA-N 440.897 4.814 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1359146140 OICOSVCVETXRCP-MSOLQXFVSA-N 449.430 4.837 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(C)C)N2CCCC2)CC1 1359180085 QWSMJQXFWWSJND-HSZRJFAPSA-N 443.586 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1359185322 SFJSUTAOMYWWOA-ROUUACIJSA-N 428.577 4.568 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1cccs1)c1ccccc1 1359193507 FKOFBWYPUPLBQR-FQEVSTJZSA-N 432.597 4.779 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 1359195029 FQPRKOGVEXWKPU-UNMCSNQZSA-N 439.567 4.615 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359206746 ODRQPRJRNBFMBT-WCIQWLHISA-N 431.625 4.887 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 1359248941 IQTCILWRNHNQRN-KRWDZBQOSA-N 425.577 4.569 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1)C(C)C 1359265147 ZLHDTMHCAKJVOZ-AWRGLXIESA-N 432.616 4.608 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC(F)(F)CO1 1359266740 KQYVHCWQLFZCKB-QAPCUYQASA-N 438.906 4.674 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)c(Cl)c1 1359276792 PPZHPKRZKLGBSQ-UHFFFAOYSA-N 425.895 4.942 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)c(F)c1 1359277134 CNPNBAWFWLXEEE-IBGZPJMESA-N 442.510 4.521 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCCCC1 1359282889 WDNVIQUEEBKYPU-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE N#Cc1cc(F)cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1 1438460116 GZDOOGYXJRVVNP-UHFFFAOYSA-N 447.470 4.815 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 1447650911 CDPMXFSUNDGCFP-WIOPSUGQSA-N 432.520 4.745 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc(F)cc(N3CCOCC3)c2)C(C)(C)C)cc1 1459191792 PTDQUYCXQDKNKN-UHFFFAOYSA-N 426.532 4.668 30 10 IJEE CCOc1cc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)ccc1OCC(=O)OC 1460375012 BFVLWDRQADNZGA-ZIAGYGMSSA-N 442.537 4.508 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cn1 1461527687 CLVNGOKDNGGZNG-UHFFFAOYSA-N 432.528 4.842 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1463273320 VDUNMNAZSAXAEK-KEEVHDRGSA-N 428.554 4.882 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc1 1463924357 WSJAGOLXZBOCCY-QHCPKHFHSA-N 432.565 4.510 30 10 IJEE Cc1ccccc1C1(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CCCCC1 1466172457 CSDURTAVBFSPKS-LJQANCHMSA-N 439.581 4.704 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@H]1c1nccn1CC 1466816956 RGKSUHAYAVRXOK-KRWDZBQOSA-N 433.350 4.989 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(Br)cc1 1468451691 SCFBJHFOWNHJNJ-FQEVSTJZSA-N 433.305 4.806 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1471226134 WIYCPCUFLZEHIS-UHFFFAOYSA-N 447.507 4.546 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C\C(=O)OC)cc2)nnc1-c1ccc(F)cc1 1472930843 LZIOFOSANSUNKL-MLPAPPSSSA-N 439.512 4.628 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(F)c(F)c2)nc2sc3c(c2c1=O)CCCC3 1472931571 RMBSFQPPOYRYTI-UHFFFAOYSA-N 432.517 4.776 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1c(OC)cccc1OC(F)(F)F)c1ccccc1 1475627271 IZZANXWQJNAFCP-INIZCTEOSA-N 429.460 4.970 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(NC(=O)C2CC2)cc1 1476729061 OUMDIVGNVFEPAA-UHFFFAOYSA-N 444.329 4.684 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1478842753 CXBJIWDPCMVZLK-PGRDOPGGSA-N 438.369 4.972 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1507596794 PLIXTUWLUMQSNX-CWJKEVGVSA-N 442.629 4.638 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1C[C@H](C)C[C@@H](C)C1 1507609169 PRRBQASNXYHWBK-IAGOWNOFSA-N 434.415 4.689 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1507701006 XAMCDSKCJVRSEI-FGZHOGPDSA-N 439.623 4.939 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(CC#C)CC#CC 1507746176 MDLXOIDYTCFWSH-UHFFFAOYSA-N 439.009 4.643 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1507749355 USNFDUYBZYZBOO-SFHVURJKSA-N 426.630 4.613 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCSC2(CCCCC2)C1 1507754956 HOTWAEAJQCLQBI-UHFFFAOYSA-N 432.684 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@H](OC)[C@@H](C)CC 1507772567 RLRCHIOBKNFIPC-VAXXYWNWSA-N 442.629 4.632 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC)CC1 1507776978 BMKUEUKVKGDZKM-UHFFFAOYSA-N 443.187 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1507814057 BKKVDJDKNCLDGX-CLOONOSVSA-N 439.604 4.587 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](CC)C1 1507837942 IAGHVOADNDNIRN-KRWDZBQOSA-N 437.009 4.532 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(CC)C1)c1ccccc1 1507850090 BEAYZPYZCRONKP-DEOSSOPVSA-N 435.597 4.609 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507896932 KJJUCMMBVVYLRI-SFHVURJKSA-N 429.565 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1507912106 DNHRMBCOYMGRIG-UHFFFAOYSA-N 446.599 4.617 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C 1507916852 HHABKVCZKBJGDE-GOSISDBHSA-N 449.640 4.671 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1507939453 PTGFANRNIMRJDU-UHFFFAOYSA-N 435.616 4.638 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@H](C)N1CCC(C)CC1 1508009020 UFKGYYMNKAWYIS-FQEVSTJZSA-N 425.596 4.998 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC=CCC2)C1 1508113483 GRRGDFJKYLBBQG-PXNSSMCTSA-N 443.389 4.845 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC=C(COC)CC1 1508152337 LCLQUDIOSUUKDD-UHFFFAOYSA-N 435.597 4.504 30 10 IJEE CCc1cccc2c(CCn3c(-c4cccc(C)n4)nnc3N(C)[C@H](C)CC#N)c[nH]c12 1513675963 BCJAOWQRKHLFLK-GOSISDBHSA-N 427.556 4.673 30 10 IJEE Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1-c1ccccc1 1515235037 HSKJPUKJVCCNEY-IBGZPJMESA-N 434.499 4.571 30 10 IJEE N#C[C@]1(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC12CCCC2 1516632142 GKSVGVHLZKRLGI-KRWDZBQOSA-N 436.352 4.981 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1526560132 HCKAIRZPDHRFCX-AUUYWEPGSA-N 443.462 4.830 30 10 IJEE C=C[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 1529849287 IIRHFTVOQUJLLX-GDLUXTLDSA-N 443.503 4.951 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1534159659 ZQTROKSQUCCYNA-KRWDZBQOSA-N 444.572 4.688 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1c(Cl)ccc(I)c1F 1538215545 ZIAHFGACIBWAET-UHFFFAOYSA-N 445.659 4.579 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 1539196885 BJCLJNABDLKHGH-UHFFFAOYSA-N 449.503 4.691 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1539586167 HHNAEZDHPSBTJS-GOSISDBHSA-N 443.345 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)C1 1539637774 SVCZKGDXCKQLSU-UCFCWBNQSA-N 445.007 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)CCC(C)C 1539651153 AOSNRCJNTSUSLC-FQEVSTJZSA-N 438.414 4.625 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1539694704 JYOALRZYSPFCAP-PGRDOPGGSA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCC1 1539760170 WPYHJFCTOYAVTH-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1539846707 UUZQTRSCAOZWRH-UHFFFAOYSA-N 445.464 4.821 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1539948232 VKRDNIGJKAUGPZ-PZJWPPBQSA-N 430.556 4.664 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC1CC(OC(C)(C)C)C1 1540064070 IUMLOCUTACIVJI-UHFFFAOYSA-N 434.588 4.737 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@@](=O)CC)C1CC1 1540095400 PHUPOMQTMMRZBO-NDEPHWFRSA-N 435.018 4.737 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCN1CCCC(C)(C)C1 1540119139 AJNOHKGLAZJJII-UHFFFAOYSA-N 434.632 4.762 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](CC)Oc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1543745119 SOEXRSCXVZBEFI-MBSDFSHPSA-N 436.980 4.959 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCC(C)CC1 1554713483 DWHWYMUCXNPTMU-WDEWVQCLSA-N 432.572 4.542 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)[C@H](CO)c2cccc(Br)c2)cc1OC 1560642401 UUNLKPNOEPQFEX-GOSISDBHSA-N 440.765 4.841 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1C#N 1562831129 BJCLQHWAENCKSM-UHFFFAOYSA-N 429.524 4.802 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 1562928916 ALSJJMPAHAQBPP-LJQANCHMSA-N 449.345 4.656 30 10 IJEE COc1ccc(-n2cc(O)c(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)n2)cc1 1585578909 FTZSPTOGLNWBQT-UHFFFAOYSA-N 426.432 4.503 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1OCc1cccc(Br)c1 1586231336 DHZGMRCAVGQGPR-LAUBAEHRSA-N 430.342 4.739 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCOC(F)(F)F 1587677869 MCDYAQXLJGZOCP-CYBMUJFWSA-N 432.899 4.608 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1587915491 MDZKYHFIOLQEED-NHZRIVAWSA-N 437.632 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1588297954 NUBASSADSFHRSV-WOJBJXKFSA-N 428.024 4.816 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1OCC 1589177163 DYQMMBIAVYKYKJ-HSZRJFAPSA-N 439.922 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1589185642 FOXCSPYYBXTMEO-GBXCKJPGSA-N 442.629 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1589228008 HGBKJYMGRNINKS-CNNODRBYSA-N 431.506 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1589547740 VQKWGEPZRSEXDF-NNXSRULWSA-N 430.637 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ncccc1N(C)C 1589599690 JOPITYUPHADDKX-NRFANRHFSA-N 448.615 4.947 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)CN2CCCC2)CC1 1594128326 PONUZUFBFUUHNP-UHFFFAOYSA-N 444.023 4.789 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[S@](=O)C(C)(C)C)CC1 1594209218 UBGDPODVURZRIW-LJAQVGFWSA-N 439.000 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 1594477404 CWUZFZXNQMKMFG-UHFFFAOYSA-N 434.563 4.717 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1594545196 RIZZJEYWCBHYBK-XXBNENTESA-N 436.922 4.795 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC1(C)C)C1CC1 1595054676 OTSOEJFWKPAGHK-SFHVURJKSA-N 429.609 4.594 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnn2ccccc12 1595178804 PBZXEJYSQVHWFY-NRFANRHFSA-N 442.567 4.909 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@@H]1C 1595233962 AWGBXGJRTXFLOK-WMZOPIPTSA-N 440.389 4.927 30 10 IJEE C=CCn1c(N(C)Cc2cc3ccccc3o2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453526 YWSRTCQMNJQHMI-HDICACEKSA-N 437.544 4.617 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 1616817493 FLBAHWQBGRYRER-PMERELPUSA-N 437.487 4.557 30 10 IJEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)C1 1619682320 FEGQMZLQHJUMFD-PZJWPPBQSA-N 443.542 4.895 30 10 IJEE C=CCn1cc(CNC(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)nn1 1623156970 DKOMIMBXYDBFJI-UHFFFAOYSA-N 447.518 4.831 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@H](CCOC)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1623502823 VQTPQQHNHVSVQR-KBMIEXCESA-N 428.573 4.889 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c1 1626100308 GXXNPQGNXCOOQA-UHFFFAOYSA-N 430.938 4.513 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1 1626428424 DSUDJKXVEDRGOP-QHCPKHFHSA-N 426.582 4.592 30 10 IJEE CC#CC[C@H](CO)NC(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1627608593 JRCCVXUUOMDRSB-GOSISDBHSA-N 437.378 4.694 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1627870971 UATHNYMYQCAKFQ-VWLOTQADSA-N 432.545 4.686 30 10 IJEE O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1 1630693803 GHDHKMLRPVPOIJ-OAHLLOKOSA-N 429.719 4.678 30 10 IJEE C#C[C@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1)C(C)C 1635358904 RSHRJKZYHJCAHO-DEOSSOPVSA-N 430.548 4.612 30 10 IJEE C=CCC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OCC 1635697606 CYGSBLLMCCEHQY-MRXNPFEDSA-N 427.353 4.674 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 1636892252 QDALCVVUFZRXFN-LLVBAIKDSA-N 449.636 4.615 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(COc2cccc(Br)c2)o1 1637757690 NJNIBDAPJUEOMC-SFHVURJKSA-N 432.314 4.761 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(c3cc(Cl)ccn3)CC2)cc1 1638802126 CKIGJQYCUVMSFU-UHFFFAOYSA-N 432.911 4.670 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCCO1 1638986789 KREYQIHXKHMUIA-QFIPXVFZSA-N 440.927 4.590 30 10 IJEE CCC[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccc(Cl)cc1 1639989204 COYDQCZTQZTUQD-JOCHJYFZSA-N 447.970 4.834 30 10 IJEE C=CCn1c(SCc2cn(C(C)(C)C)nn2)nc2sc(-c3ccccc3)cc2c1=O 1640813765 LKHIXTYLDFHMKF-UHFFFAOYSA-N 437.594 4.950 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nnc1-c1ccccc1 1643353077 AARMRUXWJLWICV-GOSISDBHSA-N 428.920 4.821 30 10 IJEE Cc1ccccc1NC(=O)Cc1nc(COc2nc3c(cc2C#N)CCCCC3)cs1 1644175992 BJDLLTLQROJELI-UHFFFAOYSA-N 432.549 4.747 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1C 1644732831 GZTUPMHZKRJMID-NDEPHWFRSA-N 444.623 4.538 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCCc3c(Cl)cccc3Cl)nnc12 1652376710 IFWOANSMSSJHPG-UHFFFAOYSA-N 431.348 4.872 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccc(Cl)cc1 1652406203 KOCGSFRKVQBNKX-FQEVSTJZSA-N 449.967 4.944 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3S[C@@H](C)[C@@H]2C)n(Cc2ccco2)c1C 1652776902 HKQWRCGCDTVCMB-ROUUACIJSA-N 434.565 4.946 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)C3(C(=O)OC)CCCC3)c2C#N)C1 1653632429 GGMUDLHIFKHRDF-MRXNPFEDSA-N 445.629 4.517 30 10 IJEE C#CCN(Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCOc2ccc(Br)cc21 1657513476 JCNCQOJJUGZPKS-QGZVFWFLSA-N 436.733 4.776 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc2ccncc12 1666959816 WWFRZYPYOFDFKL-UHFFFAOYSA-N 435.318 4.513 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCCC1 1670287535 FFSZASHQOSKMBQ-GOSISDBHSA-N 431.581 4.710 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(F)cc1 1674014925 MIGSRGMMRKAEES-RBBKRZOGSA-N 443.563 4.569 30 10 IJEE C#C[C@H](NC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccsc1)c1ccccc1 1674025178 ACHPMWYYZPCPIB-QFIPXVFZSA-N 434.561 4.894 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C 1676223894 BIFULAGMONECME-OAQYLSRUSA-N 448.380 4.897 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCc2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 1680634006 WHLBIQXOOWWQHB-WOJBJXKFSA-N 431.458 4.965 30 10 IJEE C#Cc1ccc(CNC(=O)NCCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1681270984 VRBCNWPHSHGJED-UHFFFAOYSA-N 427.589 4.675 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cscc1Br)c1ccc(Br)cc1 1682357237 VPNCAFCMYYHIKB-OAHLLOKOSA-N 442.176 4.789 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN1CCCC1 1689827405 DSMGCORAFXJLRR-IFMALSPDSA-N 437.632 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)C1CCCCC1 1690063584 IOWKEJOFYYNARF-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2nccs2)CC1 1690249554 ZFMQQDXYNMAZAY-QUCCMNQESA-N 429.634 4.688 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1690335951 OFMFSFYGTKHKQZ-GOSISDBHSA-N 430.339 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H]1CCOC1 1690422419 ODWZUZCITGLHJM-HNNXBMFYSA-N 449.393 4.544 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C)CCCC2)C1 1690686023 IICCAPAHTQUYMD-MOPGFXCFSA-N 428.552 4.919 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1692690138 CJHCSYFIIBHNID-JKSUJKDBSA-N 446.983 4.592 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCC1CCOCC1 1705727227 OSFIQEHMBHZYSD-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705758798 DQRQSAHUFHXBGM-MJGOQNOKSA-N 432.996 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705790133 KIQFOLRYTILRMA-NRFANRHFSA-N 439.510 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccccc2)C1 1705793772 JJFHQIIRQFGOFO-NRFANRHFSA-N 437.613 4.814 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(N(CC)CC)CC1 1705893046 ZLDXICWULQDQLK-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCCC(C)(C)C1 1705940616 KIVGLNNDSFQJAB-UHFFFAOYSA-N 438.439 4.592 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 1712033088 BJPFSKWXIWVKGZ-KHKYRLRFSA-N 439.629 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1oc(CC)nc1C 1722280483 RVXXDUFNSDNNSR-HNNXBMFYSA-N 446.580 4.742 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)C1CCCCC1 1722307204 RUNFVJHBVGWKIF-UHFFFAOYSA-N 442.007 4.824 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1722314723 PGXIRERVTVZTMH-UHFFFAOYSA-N 428.024 4.959 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC2(CC2)C1 1722321243 ZYRSAVCCFGZZJH-UHFFFAOYSA-N 449.382 4.584 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](c1ccccc1)N(C)C 1722404976 IGRRZDDPTTZSLX-DENIHFKCSA-N 447.652 4.894 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCCCCC1=O 1722468251 HGYRKTYCPBKWEU-WNCULLNHSA-N 447.627 4.605 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1722487809 XINHKHMATTXCGJ-QGZVFWFLSA-N 447.377 4.972 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)C1 1722495885 IIPJEAHBFBACMV-GREBRCKQSA-N 430.980 4.585 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722520421 NTDBNQZZICINRZ-QFIPXVFZSA-N 436.556 4.945 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1722562230 QPHHIRWABGSJJL-UHFFFAOYSA-N 439.947 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](COCC)C1 1722587476 QBKWWCUSJOWGME-GOSISDBHSA-N 426.561 4.529 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CCC2)C1)c1ccccc1 1722594676 PPIQOQRHDVTAOM-OAQYLSRUSA-N 435.616 4.937 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(SC)CCOCC1)C1CC1 1722646050 GCSQIYNBPIQGKI-UHFFFAOYSA-N 436.984 4.805 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 1722733597 GXNKEIWBJRPKLF-UHFFFAOYSA-N 449.615 4.549 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(N2CCCCC2)c1 1723772771 AQBGKHGHVKSSPE-SFHVURJKSA-N 449.990 4.770 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)C[C@@H](c2ccsc2)O1 1726666213 HSMZAPWTKOKFET-BEFAXECRSA-N 443.523 4.890 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740568465 HETWMKSWPDBNNV-CVEARBPZSA-N 449.418 4.578 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C1CCCCC1)N(C)C 1740648947 UHZWKAPDVQOFLN-HSZRJFAPSA-N 438.019 4.572 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)cn2C)n1CCCC 1740677291 ICRNEVJQEXLVOZ-UHFFFAOYSA-N 444.352 4.625 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740750402 BNTKSOMLXWEBSP-NRSPTQNISA-N 430.980 4.614 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](F)COC)CC1 1740818143 DFCCKIJNGFNCCH-HKUYNNGSSA-N 436.959 4.829 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740847037 VQKZFJGKYAZGHU-GAJHUEQPSA-N 430.980 4.585 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740861837 AXFRTIFXEFKKHN-IBGZPJMESA-N 436.535 4.587 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnc(C(C)C)nc1 1740871476 ZUNCDXWCRHAODU-UHFFFAOYSA-N 442.571 4.851 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(N2CCSCC2)CCCCC1 1740901738 IVMIWYONPNZJLI-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCCN1CCCO[C@@H](C)C1 1740923572 PJBBPIIHZHDRAD-FQEVSTJZSA-N 445.677 4.622 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1CCC(OC)CC1 1740936319 PGNJJIAIWQYNFK-UHFFFAOYSA-N 445.567 4.850 30 10 IJEE CCO[C@H](CCn1c(C(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C 1746622866 FNVYPGFXRMPTQW-HSZRJFAPSA-N 439.604 4.772 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1749198603 NUMOVKXGHNFNQS-OAQYLSRUSA-N 441.576 4.535 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](OC)C(C)(C)C1 1749216968 XBKCCUQENOPYDS-DYESRHJHSA-N 444.645 4.585 30 10 IJEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1749265873 AHAZVEKSMBGJJD-INIZCTEOSA-N 435.950 4.850 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749270580 DRAUUKPECFFTNH-MRXNPFEDSA-N 434.415 4.585 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCOC2CCCCC2)CC1 1749311276 LCYZHAQMGFNTRR-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1Cc2ccccc2O[C@H](C)C1 1749373635 PNCFQROXTVXRAH-HXUWFJFHSA-N 434.588 4.530 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)SC 1749528172 FXEDNUDRYVYYAJ-MRXNPFEDSA-N 444.004 4.946 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1 1749544792 NXIROYACIAUMKG-UHFFFAOYSA-N 431.993 4.957 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCSC(F)(F)F 1749545065 ROAQABQIAWQWBT-MRXNPFEDSA-N 430.471 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)c1ccsc1 1749564627 CSGUTPAAMJPSQB-XMMPIXPASA-N 431.565 4.641 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1760139520 GFVNLAFFGYHURT-UHFFFAOYSA-N 443.636 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1C[C@H](c2ccccc2F)C1 1760222704 VSPBDQRNCKHTKU-QVHJCDIPSA-N 448.586 4.917 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)CCC(C)C 1760228769 RFZDZPPBMBLVFU-DEOSSOPVSA-N 428.646 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1760340956 UEDLUXCHRIRBHW-ZJSXRUAMSA-N 437.588 4.582 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1760350230 AFMCHFHPZNEKHT-PMACEKPBSA-N 432.996 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760415991 QZKJVULSUGCDCD-NHCUHLMSSA-N 439.648 4.941 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760422411 HBMZCQKNOCEDHM-JPYJTQIMSA-N 430.980 4.729 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760442148 HGRSCZDMVVODJM-RXVVDRJESA-N 446.382 4.715 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1760446811 CZUMDBQYSXUNOI-SFHVURJKSA-N 446.567 4.544 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1760466771 HVSAVBGAPKGYBI-YESZJQIVSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccn(C)n1)C1CC1 1760471003 JKDQWIGUSUXRQO-QGZVFWFLSA-N 440.979 4.625 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760511443 IGSBFFCPQRYEIG-MRXNPFEDSA-N 436.915 4.626 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C(C)C)CC2)C1 1760539770 VMMZESMREZMKPY-LJQANCHMSA-N 445.405 4.925 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCc2ccccc21 1761076739 IBPNBWILRWAHNR-OAQYLSRUSA-N 431.588 4.565 30 10 IJEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC2(CCCC2)C1 1766551263 CIQKBMFDKYWMTH-UHFFFAOYSA-N 448.615 4.626 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 1766886976 CAMYOSLUHHIWLG-DHLKQENFSA-N 438.595 4.725 30 10 IJEE CN(C)c1ccc(/C=C2/SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1 1772757824 LIKYMHUXRXYQDF-RBIGQWDSSA-N 430.533 4.852 30 10 IJEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)c(C)c1 1858842638 TXNMJMYWENMTPD-SFHVURJKSA-N 443.507 4.929 30 10 IJEE CC(C)C[C@@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)C(=O)O 1858944945 WWAMFAMMXGPMFU-OAQYLSRUSA-N 445.475 4.551 30 10 IJEE COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc([N+](=O)[O-])cc2)c1 1859404485 GWTAOTMOMVROCE-UHFFFAOYSA-N 439.431 4.580 30 10 IJEE CC(C)CC(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 1860091330 HJBNTJOBRQSBNO-OAHLLOKOSA-N 425.554 4.747 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 1860603556 BLISSKHOLFTTPM-UHFFFAOYSA-N 435.833 4.721 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1CC 1861798235 GYAKRWKIIGMYNM-DEOSSOPVSA-N 438.612 4.832 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2)cc1 1862390131 WECZMPQDEFLSKP-XMMPIXPASA-N 434.580 4.949 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(O)c2)cc1C 1862400846 OCPBETSKMSIEFO-JOCHJYFZSA-N 449.528 4.592 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1OC 1862421264 GLOZZMZYTPQABX-NRFANRHFSA-N 445.462 4.606 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(F)c1 1862489293 UFJNITRYURLGET-QHCPKHFHSA-N 438.543 4.753 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862498780 QKYVOGNNHDODNO-BFUOFWGJSA-N 434.319 4.569 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Br)cc1 1862511237 JJHWRQWOBBOSMC-GOSISDBHSA-N 430.273 4.661 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862618550 VQPAKAWCWFKLMM-NRFANRHFSA-N 440.971 4.777 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862663805 ULKLYVQTFWPZSO-GMAHTHKFSA-N 435.520 4.576 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862679011 UBTQFVNYBUXMQA-QFIPXVFZSA-N 449.478 4.993 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C(=O)O 1862679131 VVXRRWOUFHHAKR-NYHFZMIOSA-N 445.446 4.863 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2ccccc2Cl)C1=O 1863062768 VSOAYQPQWUAHRX-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2)n(-c2ccccc2Cl)n1 1870004168 XFXYLCMIMZBXSW-UHFFFAOYSA-N 429.858 4.630 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)C)cn1CCCCCCCC 1870478143 PYLJNWVSZSYVMF-UHFFFAOYSA-N 432.605 4.713 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2Cl)C3=O)C1 1871355911 MDZLSEILVVZSEF-BKUYFWCQSA-N 426.944 4.758 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871485480 AUTYDLOUBNVPBF-UHFFFAOYSA-N 441.366 4.556 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1871812571 UTHUSQFTEXUQOC-LJQANCHMSA-N 440.487 4.690 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)CCCC 1871898877 DFZOMPRGLMJLDQ-HSZRJFAPSA-N 428.598 4.991 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871993407 ZPJYMLSSSURXBT-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872496755 ZBOISFVFXLOOPI-XXBNENTESA-N 428.598 4.869 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(F)cc(F)c2)C(=O)N(CCC2=CCCCC2)C1=O 1873315602 YVBHRHRONASQKP-UHFFFAOYSA-N 433.458 4.919 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)n1c(O)nc2ccccc2c1=O 1873936206 AWKBLLYCTSHOCT-HXUWFJFHSA-N 433.618 4.653 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874279728 PWFXVZGOVDACCQ-HYARGMPZSA-N 427.917 4.785 30 10 IJEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874346746 DJRWSJIRTNVGAM-NCELDCMTSA-N 435.597 4.906 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1Cl 1874462258 PAUVNQMBYIQJIU-FOKLQQMPSA-N 447.914 4.573 30 10 IJEE C(=N/n1c(SCCc2ccccc2)nnc1-c1ccco1)\c1ccc2c(c1)OCCO2 1874467043 PDUYJPYWDDRAPK-LFVJCYFKSA-N 432.505 4.526 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874504181 KDZMZRURNIDNDH-FSJBWODESA-N 443.960 4.511 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCC(=O)OCC(C)C 1874625365 AABUDUIFKWWJNP-BJMVGYQFSA-N 445.443 4.607 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])c1 1875162894 VSUKHTUHHWGGBV-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE C#CC[C@@H](C(=O)Nc1cc(Br)c(Br)c(Br)c1)C1CC1 1887274969 DACFUPZVACZPMR-SNVBAGLBSA-N 449.968 4.962 30 10 IJEE Cc1ccc(Oc2ccc(S(=O)(=O)N3CC=C(c4cncc(C#N)c4)CC3)cc2)cc1 1891792216 XVZMEHNKLVQNDU-UHFFFAOYSA-N 431.517 4.532 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cccc(OC)c1Br 1927271338 RNKUXFRSRVJDIB-VXKWHMMOSA-N 434.374 4.632 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2020326403 JEDGSUYIYUYEQG-LJQANCHMSA-N 437.625 4.759 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NC 2047967661 LCBNKCRUGNUJKD-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)c1 2060628448 XOQHIYSLYPRCON-UHFFFAOYSA-N 430.354 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC12CCC2 2063292978 RWKUMMBGXZJIFF-UUOWRZLLSA-N 449.592 4.618 30 10 IJEE CNCc1nn(Cc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079240810 WFJQTTZWNBZYIQ-UHFFFAOYSA-N 434.153 4.590 30 10 IJEE CCc1nn([C@H](c2ccc(OC)c(C)c2)C2(C)CC2)c(I)c1C#N 2079935072 VRJLWWZUXJTJKF-QGZVFWFLSA-N 435.309 4.628 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)COCCN2C(=O)OC(C)(C)C)cc1 2081184274 CMYVYVGLCAOMPW-YADARESESA-N 445.560 4.655 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2106595029 VGRDDQCYMVAFEV-UHFFFAOYSA-N 438.377 4.969 30 10 IJEE Cc1ccc(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)cc1NC(=O)OC(C)(C)C 2124519067 GARRKXDNLYNWED-DZFIZOCASA-N 442.365 4.506 30 10 IJEE CN[C@](C#N)(COc1ccc(Cl)c(Cl)c1Br)C1(Br)CC1 2206660225 PCOHWWRJPXJGRO-CYBMUJFWSA-N 442.966 4.544 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)CC#C[Si](C)(C)C 2229132218 OOPRCJSXQZFAAI-QGZVFWFLSA-N 438.438 4.725 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)C#Cc1ccccc1 2237432140 RXZMLRXVAHYPEJ-LJQANCHMSA-N 428.326 4.506 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2249562631 GNHYEJWNRVEUES-MRSFGVLCSA-N 427.545 4.886 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255845181 HVPDJCNZKOTSIK-OKILXGFUSA-N 434.317 4.984 30 10 IJEE CC1(C)OB(c2ccc(O)c(C(=O)N(Cc3ccccc3)CC3CCCCC3)c2)OC1(C)C 2282991974 NEAGDHNEYMUDEG-UHFFFAOYSA-N 449.400 4.914 30 10 IJEE C=CC[C@@]1(COc2cc(OC)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)C1 2287843416 ASPJXFYSUYVSOF-HXUWFJFHSA-N 441.366 4.622 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)(C(=O)C#Cc2ccc(Br)cc2)CC1 2296215703 CUCBZWKQIYEIJJ-UHFFFAOYSA-N 438.337 4.747 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@H](N)C#Cc1cccc(Br)c1)C2 2296215746 DFLROVLHLLTHAJ-AABGKKOBSA-N 433.390 4.696 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2296219540 PIDPRPWORZVJDB-XKGZKEIXSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC(=O)C#Cc2cccc(Br)c2)C12CCC2 2296224640 MICMOORAEWGHOM-QFBILLFUSA-N 432.358 4.843 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2296304797 LKMCRBICOBDQEX-DENIHFKCSA-N 435.406 4.862 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)cc1OC 2296601912 UKSDGEDMFMBKQD-UHFFFAOYSA-N 435.501 4.734 30 10 IJEE COc1ccc(COc2ccc3c(c2)OC(=Cc2cc(OC)c(OC)cc2OC)C3=O)cc1 2314437479 NNFIYJXXMMRSRM-UHFFFAOYSA-N 448.471 4.916 30 10 IJEE CC[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2317359324 ZUKYXIITZMQQKY-KVOGJJTBSA-N 432.370 4.797 30 10 IJEE Cc1cc(OC(=O)CNC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2323047494 DOSSDRREGFSESE-UHFFFAOYSA-N 447.874 4.600 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1OC 2323378826 BBOGLQZBPUBTRS-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324989535 HSSRMFKVUGPNOX-UHFFFAOYSA-N 431.444 4.733 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325072581 YSSLBBFMAXAWMW-OAHLLOKOSA-N 430.884 4.612 30 10 IJEE COc1cc(C=Nn2cnnc2SCc2cccc3ccccc23)cc([N+](=O)[O-])c1OC 2326629408 SRLOSKIRZSTDBA-UHFFFAOYSA-N 449.492 4.531 30 10 IJEE COc1cccc(CCc2nnc(SC)n2N=Cc2c(OC)ccc3ccccc23)c1 2328598789 DKOUFMGSWSBHEM-UHFFFAOYSA-N 432.549 4.838 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCCO)cc1 2329459260 GJPMDQYIYIWKRM-UHFFFAOYSA-N 438.597 4.631 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccco1 2330055601 VVKAXFQZWRKQTG-MRXNPFEDSA-N 449.511 4.775 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccncc1 2330246342 QICVAOREDPYHKN-UHFFFAOYSA-N 448.596 4.717 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)CCCSC 2330624053 LJJWEMUETOLRSS-UHFFFAOYSA-N 445.493 4.557 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)CC(C)(C)C 2330625068 OUXVLCLCRQFCCH-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)NCc2ccc(OC(=O)c3cccc(C#N)c3)cc2)c1 2331239268 YWVPEQKTXWPMKV-UHFFFAOYSA-N 440.499 4.894 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2c(F)cccc2Cl)o1 2331698116 XMZFMRQYFRBMSO-UHFFFAOYSA-N 436.896 4.748 30 10 IJEE C=CC[C@H](Oc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN1C(=O)OC(C)(C)C 2335889214 WHEIQBFTRKRGSZ-ZFWWWQNUSA-N 427.295 4.690 30 10 IJEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579192 RXUOGOYGJQUZEM-UHFFFAOYSA-N 445.413 4.713 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)c2cc(C)cc(Br)c2OC)C1 2339679270 KXJWMEVFLDVYCW-QGZVFWFLSA-N 426.351 4.661 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(C#N)(Nc2cccc(Br)c2)C1 2340422861 XVHNZDJDAYHWSA-UHFFFAOYSA-N 434.256 4.743 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CC[C@H]4CC[C@@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365057870 SPHYDXRMPGCOLW-JVIRWLPMSA-N 445.416 4.970 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1OC 2365241255 NWJRKFMFRSECPC-ROUUACIJSA-N 439.394 4.723 30 10 IJEE N#Cc1cc(F)cc(COCc2ccc(I)c(Br)c2)c1 2377640209 OWKCIHMAMRDNQW-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C\c3ccc(OC)cc3)cc2)SC1=S 33432336 KMFJUPJDRHPXRF-MXBYZYADSA-N 437.542 4.701 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1 35514568 ROZDMXRGUZBGMI-JOCHJYFZSA-N 428.419 4.642 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc(SCc2ccccc2)s1 63389158 JWSBOTNJBRQBNI-UHFFFAOYSA-N 441.538 4.959 30 10 IJEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Br)cc1)c1c(O)n[nH]c1N2 98036626 NOOFZWLFASXALL-BDJLRTHQSA-N 442.338 4.898 30 10 IJEE COCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N/c1ccccc1 101695460 NPXHYXSLBQMEGF-NEHLPSIOSA-N 426.538 4.733 30 10 IJEE COc1cccc([C@H]2/C(=C(/O)c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1 102733895 CNMNCLHTRJQDLH-FEYWKWKCSA-N 440.455 4.771 30 10 IJEE N#C[C@H](NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc(F)cc1F 111219752 LFCVMMNFKGSGQV-XCWSRWAASA-N 430.304 4.562 30 10 IJEE CCCN1C(=S)N[C@H](c2cccc(OC)c2OCc2ccccc2F)C(C(C)=O)=C1C 169930416 YNKWZSRJAQGYFC-JOCHJYFZSA-N 442.556 4.918 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)c1 170076595 PPYINRGRQUFLSL-HSZRJFAPSA-N 442.471 4.938 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccc(C)o2)cc1 170103697 REUYXXSDVPTPTH-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)c1 170121580 LTIFUCDJUBVJGD-CMJOXMDJSA-N 433.504 4.540 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccncc1 170199112 JTRIMJKRYXBESD-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)c1 170205065 GFAQHCWWXQERCV-HSZRJFAPSA-N 444.487 4.666 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc2ccccc12 170220545 WJVHKBBEIMIIFB-XMMPIXPASA-N 445.515 4.852 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 170233348 NSOBPTGIXKVXRG-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)c(C)c1 170290340 LSODSJQOOFMCHL-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccco1)c1ccc(Br)cc1 170293232 NBKXOBSTGQEHBM-SFHVURJKSA-N 430.298 4.953 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)c1 170431882 XUOOMZMUSWJBNK-XMMPIXPASA-N 437.536 4.993 30 10 IJEE N#CC1CCC(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)CC1 441132613 FWIZBGOLQCBBDI-LNJPWMSASA-N 429.564 4.613 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)Cc1nc([C@@H](C)OC)no1)c1ccc(C(F)(F)F)cc1 441537270 SUUJHMUBIRMJEW-CZUORRHYSA-N 426.439 4.645 30 10 IJEE C=CCCO[C@@H](C)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469754268 XQDNLOYNXBVQGW-LRDDRELGSA-N 425.369 4.605 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 475557341 ABQWBGLLFOTLNV-UHFFFAOYSA-N 448.611 4.944 30 10 IJEE N#C[C@@H](C(=O)c1cccc([C@@H]2CCCOC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 500453100 UYRSQTHVRXITCD-AEFFLSMTSA-N 433.533 4.660 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC)c(O)c1Cl 526823659 ZVLLQEYLWIKGGF-MSXFZWOLSA-N 441.944 4.644 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 549279252 IYNZOONOQNYJSR-QGZVFWFLSA-N 448.017 4.834 30 10 IJEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](Cc2csc3ccccc23)C1 549638429 KEIRKZSDUZPVGD-GHTZIAJQSA-N 438.597 4.616 30 10 IJEE C=CCCN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143503 HWDSEDMMPNBEHS-UHFFFAOYSA-N 431.598 4.811 30 10 IJEE C[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12)c1cccc(C#N)c1 587719017 PYAIEKQHOPLLIB-AFMDSPMNSA-N 433.511 4.794 30 10 IJEE Cn1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c(Br)n1 712417405 FIZLEZJHMOZYNR-CQSZACIVSA-N 425.714 4.842 30 10 IJEE N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727627020 BRBDEHVVRKGNSR-QGZVFWFLSA-N 438.940 4.514 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1OC 743804908 ZWJMRVPJHNJITI-QUCCMNQESA-N 428.529 4.817 30 10 IJEE N#C[C@H](COC(=O)CCc1cc2ccccc2nc1O)Cc1cccc(Br)c1 774401153 VAKGNSLQXJPDKH-MRXNPFEDSA-N 439.309 4.561 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc(N3CCCC3=O)cc2)n(C2CCCC2)c1C 775269695 IFUWJDJCXAVCLN-GOSISDBHSA-N 447.583 4.508 30 10 IJEE O=S(=O)(NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1 1083986161 CYXDVZXQRLDDJE-UHFFFAOYSA-N 439.718 4.675 30 10 IJEE CC(=NNc1nc(SCCOc2ccccc2)n[nH]1)c1ccc(Br)cc1 1084433160 HCLDECOQWLRIFL-UHFFFAOYSA-N 432.347 4.574 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)CC)ccc1Cl 1124205005 JQWZBHQWJIBISG-AWEZNQCLSA-N 441.380 4.903 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(-n2cccc2)ccc1Cl 1124607353 LWJAMGOUBAUFNG-UHFFFAOYSA-N 425.868 4.874 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)Cc3ccc4c(c3)OC(F)(F)O4)c2)cc1 1125130773 HWMDRXJKJRFHRS-UHFFFAOYSA-N 436.414 4.834 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3cc(OCCC)ccc3C2)CCCN1C(=O)OC(C)(C)C 1127394218 NCMXANVQCKUQPM-VWLOTQADSA-N 428.573 4.706 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ncccc2C(=O)c2cccc(Cl)c2)c(OC)c1 1130572677 NJTWKQBYNNJECF-UHFFFAOYSA-N 436.895 4.721 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 1160657089 PCJWFIWVILWMCQ-OAQYLSRUSA-N 449.364 4.851 30 10 IJEE C#C[C@H](CC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1161267113 RTZGKIXRYFBXGP-QGZVFWFLSA-N 432.973 4.625 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 1184225798 GVOMJENNCYGIER-UHFFFAOYSA-N 425.529 4.536 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCCCC2)c1 1185403282 FBQSRKNXXIHCMZ-FQEVSTJZSA-N 433.371 4.921 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)CC1 1199845058 ZCEXOKYJCMMRPI-UHFFFAOYSA-N 433.552 4.695 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1 1216884519 SRBPQBFRYOQSNW-HXUWFJFHSA-N 435.568 4.511 30 10 IJEE C[C@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@@H]1CNC(=O)OC(C)(C)C 1218288026 GUNMDRCCUNVWPN-WMZOPIPTSA-N 444.576 4.750 30 10 IJEE C#Cc1ccc(NC(=O)NCCOc2c(Cl)cc(Br)cc2Cl)cc1 1220350623 HJRFKKYPSMSPMG-UHFFFAOYSA-N 428.113 4.938 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1c2ccccc2OC[C@H]1CO)c1ccc(C(F)(F)F)cc1 1230694418 UFZDFHTWHBPVNU-LKUPVBHCSA-N 434.458 4.754 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](OC)c2ccccc2C(F)(F)F)cc1 1264801390 BTHSZASFTOROSE-FQEVSTJZSA-N 432.442 4.846 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nccc(-c2ccc(OC)cc2)n1 1278847069 ZNFGCYRQCHBCOD-UHFFFAOYSA-N 429.398 4.988 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N(CC)CC 1286283366 RLENLWZPUFDIIV-OXJNMPFZSA-N 443.954 4.872 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC[C@H]1CCO[C@H](C)C1 1286528644 JEFYUGAKTLMZHR-YZIHRLCOSA-N 436.600 4.617 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccc2F)CC1 1286639004 TXKSSZUJWFUZPQ-UHFFFAOYSA-N 430.325 4.574 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1286647874 NOPRCDLDZUZEIA-WOJBJXKFSA-N 428.024 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1286654495 KCWJJCCCZZTBQT-FQEVSTJZSA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1286663683 GVMFSHMEWRZGJV-RCZVLFRGSA-N 436.600 4.858 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC1CCCC1 1286700660 KBHJTFBKMOCGKU-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CC1([S@@](C)=O)CCC1 1286747609 LUTWMPPVYXIQIL-SSEXGKCCSA-N 440.638 4.809 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3c(c2)OCO3)n1CCCC(F)(F)F 1286763484 KDZYBMOKZKAGDQ-UHFFFAOYSA-N 448.445 4.844 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC(c4cnn(CC)c4)CC3)nnc2C(C)(C)C)cc1 1286796024 GLGBLMVQKHTIML-UHFFFAOYSA-N 448.615 4.789 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCC2(C)C)C1 1286806924 YUIVRZZXSXPNOP-WOJBJXKFSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(F)c1 1286827094 CRVQCFWVYCOQCV-UHFFFAOYSA-N 447.967 4.697 30 10 IJEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)CCO1 1287016748 AZFBNOKGMLTSQI-HXUWFJFHSA-N 443.542 4.894 30 10 IJEE Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@](F)(C#N)C2)s1 1289661020 BCLSMVRPUOISSN-BTYIYWSLSA-N 445.951 4.932 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1291085711 FLPDHNPONOGRDI-YRXWBPOGSA-N 430.597 4.525 30 10 IJEE CCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1294202673 DVIOERVRWXKGQE-UHFFFAOYSA-N 429.977 4.923 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCc1ccccc1 1300282216 GCTQUWCQYYEOAX-RTBURBONSA-N 434.609 4.806 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cc(C(CC)CC)no1 1300299610 RTYIMTVCIPBZFJ-GOSISDBHSA-N 443.555 4.529 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1300351946 CYVUFHQWVXSDMA-VQTJNVASSA-N 440.613 4.630 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1300370932 IMLPACGXUWQKFW-HSZRJFAPSA-N 434.609 4.572 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCOC[C@@H]1C 1300602954 LYPWMRGTMHBZNW-HOTGVXAUSA-N 428.989 4.945 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1300751560 LSVJJHFDCPSECD-ROUUACIJSA-N 433.021 4.606 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1300829494 FEHICPWENSCBHI-XJKSGUPXSA-N 434.338 4.777 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1301027313 PARMACTUDGNMLL-WIYYLYMNSA-N 444.023 4.781 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2C/C=C\CC)CC1 1301135516 YABZRCAFRWBRJG-WAYWQWQTSA-N 431.378 4.988 30 10 IJEE C=CCn1c(SCC(=O)NC2CC(C)(C)C2)nnc1-c1ccc(Cl)cc1Cl 1301204702 MTWXAGCCFSHHRM-UHFFFAOYSA-N 425.385 4.835 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 1301245470 IKARSASMGZAXNV-HUUCEWRRSA-N 437.357 4.532 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1301305710 MDZUPEYLZBOIQP-OYRHEFFESA-N 434.632 4.660 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](OC)C(C)(C)C 1301309192 PJJIVOPKKNWVBA-KRWDZBQOSA-N 427.376 4.847 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@@](C)(CC)O1 1301354611 DNIZFRHVZVEXSY-ATIYNZHBSA-N 449.574 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCCC1 1301374929 HERASMKWGNAAAW-IBGZPJMESA-N 425.646 4.796 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1CCC 1301399109 GIUNEGVACQZXPT-UHFFFAOYSA-N 428.378 4.691 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC(=C)Br 1301406018 NUQNDPUMMWQCAZ-UHFFFAOYSA-N 438.329 4.553 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301445517 BFXMHQVVDGZEPM-APWZRJJASA-N 438.494 4.712 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2CCOc2cccc(Cl)c2)C1 1303939539 HOBRLVNQOXHQCH-QHCPKHFHSA-N 427.980 4.873 30 10 IJEE C=C(CC(C)C)C(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1303966847 KFYWWOUFJBPDBH-WOJBJXKFSA-N 428.573 4.745 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 1309080772 VWMAWOQXEPOYCR-UHFFFAOYSA-N 438.524 4.675 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)cc1 1309331003 UPEKHECDRMLLNP-HXUWFJFHSA-N 445.585 4.568 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)cc1 1312418127 XYTJIATXEUNPKO-TZIWHRDSSA-N 438.300 4.746 30 10 IJEE CCN(CC)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1 1350367497 DEKCOZQHEDKZCS-VWLOTQADSA-N 427.548 4.950 30 10 IJEE C=CCN(C(=O)CCN1C(=O)CCc2cc(F)ccc21)c1nc(-c2ccccc2)cs1 1355119920 NXWAQNCNHFGDBT-UHFFFAOYSA-N 435.524 4.838 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@H](OC)C1 1358907033 ASFPHXLANZXVFH-GBXCKJPGSA-N 448.567 4.782 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(C)OCCc2sccc21 1359001488 WATKHBWUEZWQKH-CJFMBICVSA-N 434.609 4.829 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(CN(CC)CC)cc1 1359072598 KDKQBELOWYNMDF-AREMUKBSSA-N 447.652 4.813 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2CCC[C@@H]21 1359126828 AFEIKOCADUJDFW-ZJOUEHCJSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCc2ccccc2)CC1 1359182544 KBGXYPHSBONTIF-DHIUTWEWSA-N 438.616 4.816 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1359212765 XETAYUJVWLMVDX-UHFFFAOYSA-N 425.577 4.795 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1359213800 HJHQORAFJJGPOC-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(C)(F)F)C1 1359314147 WUNJOIKMVIYBLX-YJBOKZPZSA-N 440.922 4.898 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)[C@@H](C)CC)C1 1359316662 TWMQSQBZRALXKJ-IATMXGELSA-N 440.632 4.821 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(Cl)s1 1360769136 DPJCVTLSMORHGC-RBZFPXEDSA-N 449.914 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(COc2ccccc2Br)cc1 1436070554 BDWPJCWOWPWRRQ-RXVVDRJESA-N 430.342 4.739 30 10 IJEE Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1448824314 DLDXUNSRSZVMMC-XMMPIXPASA-N 430.939 4.733 30 10 IJEE C=CC1(CC(=O)N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CN(C(=O)OC(C)(C)C)C1 1450824417 HQSQLWQTDVMTOV-WOJBJXKFSA-N 428.573 4.504 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC1 1455451491 YNTXZPNWIFXWSR-DYLHXGEVSA-N 444.575 4.858 30 10 IJEE C#CC1(F)CN(C(=O)c2cc(/C=C\c3ccc(C)o3)nc3ccc(Br)cc23)C1 1457994316 TWWAYRXDPOYPSQ-VURMDHGXSA-N 439.284 4.866 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCCC3 1458776513 HXLSXDQYUDOYKK-LJQANCHMSA-N 426.607 4.972 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@@H](c3cccc(F)c3)OCC2(C)C)cc1OC 1461604177 FPNYYVKKBPZVLU-CEGXDQTDSA-N 425.500 4.791 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)OC(C)(C)C 1464616187 RWIVIJUSCISOOH-QZTJIDSGSA-N 430.545 4.784 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 1465212099 DMKVGAOLYKPBMO-UUOWRZLLSA-N 447.560 4.671 30 10 IJEE C[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](c2cccc(C(F)(F)F)c2)O1 1466806042 GQAGXAFHIBUUBQ-JOYOIKCWSA-N 430.839 4.681 30 10 IJEE C#C[C@H](NC(=O)c1sc(C)c(Br)c1OC)c1ccc(Br)cc1 1468451418 QRDHJKPICDBHNH-LBPRGKRZSA-N 443.160 4.694 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC1CCN(CC(F)(F)F)CC1 1468869243 WAITWMYHVDDXFD-UHFFFAOYSA-N 435.284 4.617 30 10 IJEE C#C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1ccc(Br)cc1 1472573186 ZVYNVAFUOOQQDU-AWEZNQCLSA-N 443.522 4.675 30 10 IJEE CC(C)c1ccc2c(c1)[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)CCC2 1475163443 AJSDCWGMLVGRDS-IBGZPJMESA-N 433.371 4.800 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1 1476468634 UMXQLLWFOQQPLS-UHFFFAOYSA-N 446.429 4.717 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1)c1ccccc1 1478257346 LHPHVAANWXBHFX-LADGPHEKSA-N 449.595 4.632 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC[C@H](C)C1 1507518066 KLIQZUCVNHKDOZ-SFTDATJTSA-N 444.627 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1507542612 LXMZEPAYLWWKLD-ROKPMTFOSA-N 436.600 4.594 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H](C)c1nccs1 1507578260 XBMRJKXZSOXYRZ-OAHLLOKOSA-N 429.977 4.717 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1507746358 PPDXNDQPQZTFAW-IBGZPJMESA-N 434.531 4.885 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1Cc2cccc(Br)c2C1 1507774663 AMMDQPZQPSNNML-NSHDSACASA-N 440.183 4.983 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507796911 BXXHMMFHEYWOJG-GHTZIAJQSA-N 441.938 4.750 30 10 IJEE C=CCCCn1c(C)nnc1N1C[C@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1507941885 ABJFVLXHEORPLS-ASSNKEHSSA-N 433.915 4.649 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)C 1507999092 IUMGKJAWEKXXCA-UPVQGACJSA-N 444.583 4.789 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)C(C)(C)C2)cn1 1509825233 DKJBBULZASNOCQ-IBGZPJMESA-N 444.583 4.920 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H](C)CC#N 1511915535 BXJOZEVLWFRDIG-IIDMSEBBSA-N 440.523 4.704 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)CCC(C)C 1514000910 IEERQCHLZJPSPA-OPJGWUQDSA-N 439.604 4.541 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c(OC)c1 1520261706 ACKYWVHEHJBZDK-UHFFFAOYSA-N 431.414 4.646 30 10 IJEE C=CCc1cc(C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc(OC)c1OC 1520492113 POKKECGTCYWFCE-UHFFFAOYSA-N 448.306 4.677 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 1525073503 GJWIIAJDKCPBDL-UHFFFAOYSA-N 429.867 4.896 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)c(OC)c1 1525581621 OZYIWGAATGTRKS-UHFFFAOYSA-N 445.441 4.954 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1 1527046600 AJNPQHWZXSGYTD-UHFFFAOYSA-N 445.393 4.531 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccccc2OCC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1527789974 PLEKVMAVMUVEPJ-OAQYLSRUSA-N 442.478 4.590 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1529304803 FMGAIRMXVSUFGZ-UHFFFAOYSA-N 430.548 4.734 30 10 IJEE C#CCN(C(=O)[C@H]1CCc2cc(F)ccc21)[C@@H]1CCOc2ccc(Br)cc21 1529627814 YSZNDTMEYPGBOK-AZUAARDMSA-N 428.301 4.604 30 10 IJEE C[C@H](NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccc(C#N)cc1 1532976165 GBVWYVJZPVYJFZ-HNNXBMFYSA-N 449.352 4.876 30 10 IJEE C#CCC1(NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)CCC1 1535862552 HYNXGELUUXHKCH-UHFFFAOYSA-N 425.326 4.686 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)[C@@H](C)CC 1539161381 LJKKQRLMHWVEEZ-HJPURHCSSA-N 426.561 4.679 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCN(C(C)C)CC1 1539716065 SCFPYGMVKKTFIH-UHFFFAOYSA-N 425.621 4.786 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539723700 YCFXPYHFEDWJGN-MOPGFXCFSA-N 429.609 4.943 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1539791344 WCFFJAHGQNNZDV-HXUWFJFHSA-N 429.996 4.611 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)[C@H](C)CCC)CC1 1539859992 ZRZLSKWQWRMODI-HXUWFJFHSA-N 441.645 4.588 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1539873801 DQBBYVFQMCYKQY-LLJLJFOGSA-N 428.552 4.511 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@@H](C)O[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1539929229 OZIAPKMBAYXZAJ-IFMALSPDSA-N 438.616 4.591 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](c1ccsc1)N(C)C 1540048498 WOKSAAHVTFFDCF-OXJNMPFZSA-N 429.565 4.544 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCn2ccnc21 1540155099 LMCLDBLRSAMGAA-OALUTQOASA-N 436.535 4.510 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 1541125727 AXDWISVPKWVNDV-LEWJYISDSA-N 426.944 4.852 30 10 IJEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1543020671 GVJBFTSGYFSSJN-HXUWFJFHSA-N 436.512 4.864 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1543883777 BWUSWFZAJMBHBD-BVFVYWQFSA-N 447.631 4.599 30 10 IJEE C=C(C)C[C@H](NC(=O)c1oc2ccccc2c1COc1ccccc1Cl)C(=O)OC 1544351833 LGGYFRTUPRDLFJ-SFHVURJKSA-N 427.884 4.903 30 10 IJEE C=CCC1(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)CCCCC1 1556622235 OWRXIXQEOJKHJL-UHFFFAOYSA-N 434.508 4.774 30 10 IJEE C=C[C@@H](CC)CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1558881334 AVMCENJARLLDEB-AZUAARDMSA-N 428.573 4.998 30 10 IJEE CN(CC(=O)NCc1ccc(C#N)cc1)Cc1cc(F)ccc1Oc1cccc(Cl)c1 1560102921 BOQXDIPATNKBSQ-UHFFFAOYSA-N 437.902 4.891 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(-n2nnc3ccccc32)cc1 1563291080 DGBNDISWSAYZQI-UHFFFAOYSA-N 429.528 4.808 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN([C@@H](CC)c4ccc(F)cc4F)CC3)cc21 1563314969 CIWVEVZSVSKJLM-QFIPXVFZSA-N 439.510 4.801 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCSCCOc1cccc(Br)c1 1564067946 WQMPWZVDMMEPSA-APWZRJJASA-N 441.435 4.995 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2nc(C)cc(C)n2)CC1)c1ccc(C(F)(F)F)cc1 1564406516 HJAVOJRMXSEOOS-FQEVSTJZSA-N 447.505 4.651 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccc(F)cc3F)C(C)(C)C)ccc2c1=O 1566410522 DKIXKFGIIPRCPY-IBGZPJMESA-N 443.519 4.667 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(Nc3ccccc3C)CCCC2)CCCN1C(=O)OC(C)(C)C 1569029235 WAOGVAHRBRCKMQ-SANMLTNESA-N 439.600 4.629 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(CC#N)c2)cc1OC 1569186576 GCSNJBPUGXFLPM-UHFFFAOYSA-N 438.487 4.875 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)CSc1nc2ccccc2nc1N1CCCC1 1583066940 IKLCLLQDHUMBAT-UHFFFAOYSA-N 436.556 4.676 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC)c1ccc(Cl)cc1F 1583578550 IPDRLDHOTBETOO-IBGZPJMESA-N 442.947 4.649 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)s1 1584687524 YBSIETDJDPPLSK-BETUJISGSA-N 440.491 4.626 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1ccc(C(=O)OC)cc1Br)c1ccccc1 1585072638 QRKSTOITPAPWSE-LJQANCHMSA-N 430.342 4.992 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccccc1 1586027522 NCKPUZRIXZPUKJ-LJAQVGFWSA-N 439.558 4.514 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCC(F)(F)c1ccc(Br)cc1 1586783417 HFKQEGFUJODCNT-UHFFFAOYSA-N 426.257 4.544 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1587604176 SKOBRMWAGVLAKZ-TZIWHRDSSA-N 437.588 4.583 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1587745847 ADBVGUDCCZTEPY-FGZHOGPDSA-N 437.607 4.979 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1588276671 VAPRRBMHAKNHFP-CCLHPLFOSA-N 444.627 4.772 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCC(C)CC1 1588280995 VTSCIWZYWSCHEB-PMACEKPBSA-N 439.673 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1Cc1ccc(Cl)nc1 1589687464 GQFOTMXVHDCZAF-UHFFFAOYSA-N 425.964 4.919 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)OC(C)(C)C1 1593712066 QYWXZWQHEDIBIJ-ROUUACIJSA-N 444.645 4.728 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1593851737 CQKUBBBMEAEWJC-UHFFFAOYSA-N 444.023 4.871 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1594194880 XYVPGMJRUBAYIU-PKOBYXMFSA-N 426.552 4.620 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1594241639 XBLLIXVWBYEVFO-UHFFFAOYSA-N 439.673 4.871 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NCCCC)CC1 1594714181 TZXQTAYAUPTZPI-UHFFFAOYSA-N 434.588 4.525 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(C)oc2ccccc12 1594885701 MLHMMRDIIYHPQR-UHFFFAOYSA-N 426.318 4.761 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1594992874 UZROUFFDLHELQA-SZPZYZBQSA-N 434.632 4.661 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1595084227 IIBLNISUYNOTRX-WJOKGBTCSA-N 446.661 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC[C@](C)(CC)O1 1595170415 CDGUBQIEDNDJNA-BWKNWUBXSA-N 437.588 4.673 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1csc(CC)n1 1595251345 RMCGBZBGVRYPLI-UHFFFAOYSA-N 444.564 4.712 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1595890425 UDIQMLIBSFSMMB-UKRRQHHQSA-N 446.489 4.701 30 10 IJEE Cc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(C)n1-c1cnn(C)c1 1596404580 GPGYHOYYLHWROC-UHFFFAOYSA-N 439.519 4.725 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1596821539 CUQAXDFNDHCRTG-ICSRJNTNSA-N 444.624 4.569 30 10 IJEE N#Cc1c(N2CCc3cc(Br)cc(F)c3C2)nc2c(c1C#N)CCCCCC2 1612192055 BYKPCVBLGKHLIT-UHFFFAOYSA-N 439.332 4.948 30 10 IJEE CN(CC[C@H]1CCCCN1Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C 1620686537 LQGGANRWKQERTH-LJQANCHMSA-N 436.394 4.932 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 1620846400 NIWMHMMGJFNXJO-UHFFFAOYSA-N 443.938 4.860 30 10 IJEE C#C[C@H](NC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1F 1623825804 PSAPCZAVULFQKG-FQEVSTJZSA-N 428.891 4.834 30 10 IJEE C=CC[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C(=O)OCC 1624931758 IKZBBXGTMVVMQA-IBGZPJMESA-N 440.569 4.595 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(CC)Cc1cccc(Br)c1 1625337168 YNHYSFTUDJDRQT-UHFFFAOYSA-N 440.341 4.862 30 10 IJEE C=C[C@H](C(=O)N(C)c1ccccc1C(=O)NCCc1ccc(OC)cc1)c1ccccc1 1627165682 MKNNQVXHDXIIEU-QHCPKHFHSA-N 428.532 4.600 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCN(C)C(=O)OC(C)(C)C 1627692347 OFVBHHAKOIFKSI-UHFFFAOYSA-N 443.357 4.750 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(Br)ccc1F 1627702305 FPJIFXMPOACKMM-QGZVFWFLSA-N 443.357 4.796 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(OCc2cccc3ccccc23)C1 1628795001 HXWIMBTVIOPZCS-OAQYLSRUSA-N 444.959 4.603 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)Cc2cccc(Br)c2)cc(OC)c1OC 1630468843 AQPVPBQYTFCTRI-OAHLLOKOSA-N 447.373 4.625 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1)c1ccccc1 1631035613 MLRYNFDRZGQXQT-SFTDATJTSA-N 425.598 4.808 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O)c1ccccc1 1638029679 OTSCMSDSCZYNDA-WTIAFYNJSA-N 428.598 4.866 30 10 IJEE CCOC(=O)[C@](C)(CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)CC(C)C 1639006144 CHFATQFSLDGRLK-DEOSSOPVSA-N 426.488 4.835 30 10 IJEE C=CCOc1ccc(C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)cc1OC 1639903132 HBNVNJPAFCMNCP-UHFFFAOYSA-N 445.357 4.898 30 10 IJEE CC(C)n1ncc(C(O)(C(F)(F)F)C(F)(F)F)c1NC(=O)[C@H](C)c1ccccc1F 1641970269 FCOCVTDPMAGSTI-SNVBAGLBSA-N 441.347 4.658 30 10 IJEE CCOc1cc2c(cc1OCC)CN(c1nc3c(c(C#N)c1C#N)CCCCCC3)CC2 1642178658 ALKHSXQFOQXHQM-UHFFFAOYSA-N 430.552 4.844 30 10 IJEE C#CCN(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385525 VNDGUVPELBGSQK-UHFFFAOYSA-N 437.584 4.940 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCCC[C@@H]1C 1649538838 IMEMSHKTTJKMOG-VXKWHMMOSA-N 444.627 4.914 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNc2ncc(Br)cc2C#N)cc1 1651612817 DZZVZAKTEUGPEF-ZDUSSCGKSA-N 431.334 4.914 30 10 IJEE C=CCOc1cccc(CNCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 1655259824 YRSVPMSKZBITRE-UHFFFAOYSA-N 433.518 4.572 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCN(c3ccc(C#N)cc3)CC2)cs1 1655357392 AJIBPBKWTRNPNP-UHFFFAOYSA-N 445.592 4.638 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCOC[C@H]3CC(C)C)c2C#N)C1 1657347539 HGKXQDJZLQNXOU-ZWKOTPCHSA-N 431.646 4.846 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CCc2cccc(Br)c2)cc1 1658800879 GGIUFGUGXWAGNV-GOSISDBHSA-N 428.374 4.567 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)c2ccccc21 1658859813 CIZCMHQKDNERSG-SFHVURJKSA-N 441.597 4.913 30 10 IJEE C#C[C@@H](NCc1cccc(CNC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1659305670 XQBPVXRYHWWKRF-HXUWFJFHSA-N 429.358 4.938 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CC1)c1ccc(Cl)cc1F 1661920678 WHOZVIQOYAQUGK-KRWDZBQOSA-N 428.312 4.574 30 10 IJEE COC(=O)[C@H](C)Oc1ccc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 1663730386 BFQPKSVKQCWEEJ-IBGZPJMESA-N 432.495 4.840 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(Br)c(I)c1 1666756953 FQSYMEMSMOQCSU-TXEJJXNPSA-N 447.114 4.769 30 10 IJEE COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2ccccc2CC#N)c1 1668230186 CULFNOWSIVOBGQ-NOZRDPDXSA-N 432.545 4.681 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1 1668388890 AIPHHVPZQUXEPA-LSUHJGNXSA-N 439.600 4.684 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1)c1ccc(Cl)cc1 1673006927 DCDHYUYIZOUITB-FQEVSTJZSA-N 435.867 4.810 30 10 IJEE N#CCc1ccnc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1 1673992083 CAWWCONCYRXKAS-XMMPIXPASA-N 445.954 4.740 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cc(I)ccc1Br 1674212144 JPGKKJOJAMNFSC-UHFFFAOYSA-N 437.119 4.920 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4cc(C)c(Br)cc4C3)cc2n1 1675017751 KOBWVQOPPRSBQD-UHFFFAOYSA-N 425.330 4.883 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1677213572 QSNMGUCQKQHZTJ-SFHVURJKSA-N 440.584 4.997 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 1679303789 BYMWVFOHOLTNAY-OAQYLSRUSA-N 445.485 4.880 30 10 IJEE C=CCC[C@H](NC(=O)NCCC(=O)N1CCC[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1680632958 ILAWBWLKTLLAHI-LPHOPBHVSA-N 425.495 4.661 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 1682317598 ULQRKEFZMPYZGZ-MAUKXSAKSA-N 435.515 4.892 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21 1683213275 IRBPXJJUGGMMGZ-CEWLAPEOSA-N 443.389 4.653 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@@H]1OCCc2ccccc21 1687683877 DJYJHZNINIPVAR-NRFANRHFSA-N 447.348 4.990 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1689884008 FTVAWXJBLQSLFF-SFHVURJKSA-N 442.007 4.533 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690036980 IHRPEUIVIDTQMS-MZLICYQSSA-N 448.636 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@](=O)C(C)(C)C 1690060683 FJSLOEUCCWTIFP-LJAQVGFWSA-N 449.045 4.820 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1690294403 BSNIQEQDWQLXJR-HXUWFJFHSA-N 437.613 4.686 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCCC)CC1)c1ccccc1 1690322748 OVUPCSHUOLXUQR-UHFFFAOYSA-N 447.583 4.693 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)N2CCCCC2)CC1 1690364739 WQPNQRDVTQIGPF-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690449360 FGNWGPKBSXMZBC-KRWDZBQOSA-N 437.617 4.547 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)OC1CCCC1 1690473992 NRRAXUMQOIPYFH-UHFFFAOYSA-N 435.366 4.993 30 10 IJEE C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N)N(C)C(=O)OC(C)(C)C 1692690136 CJHCSYFIIBHNID-HZPDHXFCSA-N 446.983 4.592 30 10 IJEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1)c1cccnc1 1693676846 HENKRCMFMSHEIX-GBXCKJPGSA-N 444.583 4.800 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1694891660 GCIHROHGSVWBGJ-HXUWFJFHSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1705539826 DGTXZPOFCSWBJU-DNQXCXABSA-N 449.643 4.715 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(Cl)nc1 1705541518 LMRALLHGQASWLX-MRXNPFEDSA-N 444.366 4.854 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1705654632 OHNCSDQBFWZCRF-LPHOPBHVSA-N 445.430 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1705707414 KWBIYXMDDAKYGA-AHRSYUTCSA-N 434.943 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCSC(F)(F)F 1705710896 TXYFPCTXTNMOIM-UHFFFAOYSA-N 441.523 4.803 30 10 IJEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N(Cc1ccc(OC)cc1OC)CC1CC1 1705751217 DDSNGGQWVNPGRG-UHFFFAOYSA-N 439.947 4.526 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1705806508 GGARHAKKFAAWBP-BJKOFHAPSA-N 437.632 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1705875310 OCEKTZVVOHIOGS-ZCYQVOJMSA-N 429.568 4.610 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCOC[C@H]1C 1705881953 HEWPUEZRPHEPHE-UYAOXDASSA-N 444.645 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(OCC)CCCC2)C1 1705915194 BPCRFNKOCATDCZ-HXUWFJFHSA-N 430.980 4.729 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)n1 1707718260 GZPOYQAPDBCJLH-CQSZACIVSA-N 426.977 4.907 30 10 IJEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)C1 1709292391 DVHROUDXIXZXPU-HBMCJLEFSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722303957 UZJLGEHJGUJYKN-ULQDDVLXSA-N 436.478 4.617 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(OC)CC1 1722310145 HOWDXHWSMHHZJC-JOCHJYFZSA-N 445.405 4.907 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1722313180 QSECIYVXRKRBSP-ZEQRLZLVSA-N 429.568 4.748 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1c(C)noc1C 1722328825 WBEUOKNVSJIKRM-UHFFFAOYSA-N 442.361 4.671 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)C[C@H]1CCCO1 1722340578 ZIGOTEUZEOLQGR-QGZVFWFLSA-N 437.371 4.583 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@@H]1CCO[C@@H](C)C1 1722344316 OBGLOMVLXWQFGD-PKOBYXMFSA-N 435.597 4.652 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)c1ncc(C)s1 1722391889 XUZSWGUTKSGDHL-UGKGYDQZSA-N 431.609 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1722584219 BUDRGGYELAPOII-YLJYHZDGSA-N 430.618 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1722593615 WRZVJQSWERIGOY-UHFFFAOYSA-N 425.621 4.903 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCOc1cccc(C(F)(F)F)n1 1722633524 ISDWGSKNVVSYOY-SFHVURJKSA-N 445.489 4.935 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCC[C@@H]1C 1722636139 HNTCYMYBQWUVFJ-HJPURHCSSA-N 426.561 4.986 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)C(C)(C)C 1722667282 CWBBVUMEQLJYCI-UHFFFAOYSA-N 444.645 4.634 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC2(CCCCC2)O1 1722678461 RIQJTNDPHFSYCZ-IBGZPJMESA-N 445.995 4.514 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccsc2)cc1 1722891461 CYTABJKWPORGSF-HSZRJFAPSA-N 439.560 4.706 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC[C@H]1CCCCO1 1740537279 CDMWNHBURHFIIN-QFBILLFUSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1740571951 XUVSDJJIAPEHBC-UHFFFAOYSA-N 429.568 4.845 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1740573725 AWVUTJAVSYUQHY-FGZHOGPDSA-N 438.572 4.682 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCSCC(C)C 1740604338 CSXPQKDKKVCHSG-UHFFFAOYSA-N 435.435 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCSC1(C)C 1740727760 YMOLOTFNJITWNJ-JLTOFOAXSA-N 448.434 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740750253 AJNBTODCOREWMO-HBFSDRIKSA-N 429.634 4.786 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@H]1C 1740796536 DMUFOAYDNDMZQF-MSOLQXFVSA-N 448.658 4.502 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ccoc2)CC1 1740834732 AURGTVAVCNZCSP-UHFFFAOYSA-N 443.345 4.760 30 10 IJEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCOC2(CCCCCC2)C1 1740886578 LLSMSEJUDYGLBS-UHFFFAOYSA-N 442.579 4.530 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)C(C)C 1740925711 CXOYWGAPWQNWSG-ZVDOUQERSA-N 435.607 4.972 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1cnc(C)s1 1740928499 JVZVEAPVQPPBLE-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1740970827 CVDNPXMKGJRCCH-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2oc(CCC)nc2C)C1 1740976346 VYNHJAKKIBTNCW-IBGZPJMESA-N 441.963 4.677 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@H](C)C1 1748828778 LNKCGVCHHAHFSQ-ICSRJNTNSA-N 429.593 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1749122548 XLCKLYQADGQCLQ-HNAWSFBYSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1749122549 XLCKLYQADGQCLQ-WQDJSCAQSA-N 433.021 4.910 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1749406970 RGCZOCCRVMMGAR-UHFFFAOYSA-N 429.584 4.663 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@@H](C)C(=O)NC 1749414288 AQBPZXWYLSQGND-CQSZACIVSA-N 431.993 4.598 30 10 IJEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)C1CCCCC1 1749449077 HIROKQQFWLLBOH-IBGZPJMESA-N 440.588 4.714 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1C[C@H](F)C1 1760212048 QPJKYRFYNOLJAG-YHBQERECSA-N 443.570 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CC(CC)(CC)SC 1760295738 GMFMMRWPTUQAFK-HSZRJFAPSA-N 426.630 4.791 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1760298442 IHBNILGAWMJIBU-POGFHVCPSA-N 436.600 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CN3CCCCCC3)CC2)nnc1C(C)(C)C 1760327766 LQZVBEOKPVTAEX-PKTZIBPZSA-N 443.680 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1ncccc1N(C)C 1760340283 RUIFHWHELYQDQW-UHFFFAOYSA-N 436.629 4.791 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOC(C)(C)C 1760352529 ZIUIGOQPRQMFOP-SFHVURJKSA-N 446.661 4.975 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760379152 JTPUBMWHAVBVMM-SFHVURJKSA-N 444.004 4.801 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCCN2CCCC)CC1 1760390409 FNSKYDJNJFRBCP-QFIPXVFZSA-N 425.596 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760409707 DOMIEKZTIIBJHU-UHFFFAOYSA-N 449.584 4.679 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)C[C@H]1CC)c1ccccc1 1760416361 BGXUCVCQZSOMCF-KSEOMHKRSA-N 444.583 4.910 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1760425758 VFWDAYPVHMSJEU-ZLNRFVROSA-N 429.653 4.967 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1760507912 QBQMKXINKASCQF-HNNXBMFYSA-N 431.968 4.868 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CN(C)CCC)C1 1760512615 VGKBVWFXLSSXHA-FQEVSTJZSA-N 425.621 4.509 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760560525 XVOXIZDPPHQQNR-VLCRHTCISA-N 426.630 4.743 30 10 IJEE C=CCSCCn1c(N(C)C2CCN(Cc3ccccc3)CC2)nnc1C(C)(C)C 1760568749 RMUOVDPODSNJRF-UHFFFAOYSA-N 427.662 4.596 30 10 IJEE CCCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1765764675 GMANHTRRDXYSSM-OALUTQOASA-N 425.577 4.559 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1 1771100745 ACGBZMIFBOJDRV-CTNGQTDRSA-N 437.519 4.509 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 1860734602 HOWVXDXRYAINMQ-WAQRYMGBSA-N 433.548 4.797 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862401954 NSDJBOYBIZXWSP-DEOSSOPVSA-N 442.515 4.740 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862409782 TYCSSYIXBGXJBI-IBGZPJMESA-N 444.871 4.554 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2cccc(C)c2)cc1 1862475300 IHUUBHDFBQHMGD-DEOSSOPVSA-N 432.564 4.758 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1O 1862481074 WJQDWFWJYHJOJM-NRFANRHFSA-N 435.501 4.549 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482734 SKJPOWFPSBSDOX-AZUAARDMSA-N 445.437 4.771 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862494810 GSFAFOJTOJDPBH-NRFANRHFSA-N 438.480 4.686 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(F)cccc1Cl 1862495534 ZWXWLTAJBKTVBY-FQEVSTJZSA-N 431.891 4.711 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862539387 XBZIALVWZOMKGS-XMMPIXPASA-N 432.564 4.866 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862560762 ILTXCIOZNCHBKX-HSZRJFAPSA-N 441.531 4.740 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC)c1 1862715986 VSULNUMBUKGMCP-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(Cl)cccc1Cl 1862743357 ABJHAOGFBNLWGB-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862757805 PUHGPCRVEYFXAU-NRFANRHFSA-N 433.464 4.701 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862794702 BMITZJWJEBNFAC-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863486140 WBOYHENXFSQMTL-HNNXBMFYSA-N 429.501 4.582 30 10 IJEE C#Cc1cccc(NC(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 1865891391 WCDNXZCFHZYCDR-UHFFFAOYSA-N 442.085 4.516 30 10 IJEE CC(C)(C(=O)Nc1c(C#N)cnn1-c1ccccc1F)c1cccc(Br)c1 1866062103 BPJIQIJHKCDALD-UHFFFAOYSA-N 427.277 4.562 30 10 IJEE Cc1ccc(C)c(OCC(=O)Nc2c(Br)cc(C#N)cc2Br)c1 1866085557 DTCSFUMEIASBLW-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(OC)c2)cn1CCc1ccccc1 1870606735 RTLQLILGKGSSJO-UHFFFAOYSA-N 444.575 4.853 30 10 IJEE CC(C)(C)c1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCO)cc1 1871254356 SQZCTBHYLNPGAM-UHFFFAOYSA-N 445.563 4.591 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C)S(=O)(=O)c1ccccc1 1871942893 HASUBCCOLWJDJS-LJQANCHMSA-N 441.380 4.833 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(F)cc1 1872245026 NNLLOSHSRSFFKO-JOCHJYFZSA-N 432.561 4.754 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccc(CC)cc1 1872705014 IBUWZYSJYFHVPM-UHFFFAOYSA-N 430.549 4.520 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773257 MCEWLGZOJFHEMX-BLLLJJGKSA-N 426.881 4.836 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2cccc(OC)c2)C1=O 1873214973 IARYCAYFVQSBKN-UHFFFAOYSA-N 440.499 4.652 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccco1 1874201874 YDGHFNCLCKKIEC-OEAKJJBVSA-N 426.542 4.614 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OC)c(O)c1 1874231079 QZTRNSKZNGFEKX-FSJBWODESA-N 444.944 4.693 30 10 IJEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874247811 XUFFEBGZXQNJNZ-XQNSMLJCSA-N 437.525 4.667 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2cccc(OC)c2)CC1 1874287780 WWDBWCKJDZZPDS-BUVRLJJBSA-N 444.601 4.898 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(C)ccc1O 1874369598 IHRMGAKHRDQFDO-FSJBWODESA-N 444.944 4.540 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874419471 PMOGQKFBAPJRHH-ZMOGYAJESA-N 442.972 4.696 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccc(O)cc2)cc1 1874421920 LJNHPQHMESNCEA-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874445705 IWEUOLOBGZSNKU-IYHCKTHZSA-N 437.525 4.829 30 10 IJEE CCCOc1c(Br)cc(/C=N/n2c(SC)nnc2C(C)(C)C)cc1OC 1874480733 JPGKXVGEMUNUGB-RGVLZGJSSA-N 441.395 4.740 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)c(OC)c1 1874494875 JINMFUXIZXPOCW-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cc(Cl)ccc1O 1874506823 WKQQTKUZTRKYJX-SRZZPIQSSA-N 431.905 4.672 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccccc2OCC(=O)OCC(C)C)c1 1874585763 DRLUUYWZLUTVEC-ACCUITESSA-N 426.509 4.958 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(OC)c2)cc1 1874615387 VMHPUKKULXPONZ-OQLLNIDSSA-N 437.536 4.818 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(COc3ccc(OCC)cc3)nnc2s1 1874771452 ZMZMBKFCWDBRBR-UHFFFAOYSA-N 445.589 4.530 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)COc1ccc(OC)cc1 1875128690 PEZJWNLJAAAIEE-OQLLNIDSSA-N 432.472 4.974 30 10 IJEE CC(C)[C@H](Cc1ccccc1Br)C(=O)N1CC=C(c2cncc(C#N)c2)CC1 1890171721 YCGAFIISBSXHSG-NRFANRHFSA-N 438.369 4.846 30 10 IJEE C=C(COCc1ccccc1)[C@H](CC1(CNC(=O)OC(C)(C)C)CCOCC1)NCCC 1922055160 PAAZLZSEGHIXCE-QHCPKHFHSA-N 446.632 4.839 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)[C@H](C)C1 1949368276 ZELMYCRNLOFEKN-PXDATVDWSA-N 428.621 4.512 30 10 IJEE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2ccc(C#N)o2)CC1 1952070124 WDXFLBJRRKZSPO-RUZDIDTESA-N 442.471 4.565 30 10 IJEE CC(C)(C)OC(=O)N1CC(C#N)(Cc2ccc(Br)cc2Br)C1 1960963963 AEOAWWLAHLGSCT-UHFFFAOYSA-N 430.140 4.515 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1987482771 NVGLJABSLNLHMX-FCEUIQTBSA-N 432.681 4.734 30 10 IJEE C=C(I)CN1C[C@H](NC(=O)OC(C)(C)C)CC12CCCCCC2 1992146508 URLVWGAOHLCENV-OAHLLOKOSA-N 434.362 4.627 30 10 IJEE CCc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079090774 REZXKSQMMHCZGB-QGZVFWFLSA-N 431.321 4.973 30 10 IJEE Cc1cc(C)c([C@@H](C)n2nc(C(F)(F)F)c(C#N)c2I)c(C)c1 2079849484 XXESUQGJDBFEAW-LLVKDONJSA-N 433.215 4.913 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2118195680 YHNBFAPDFXPZMF-WBMJQRKESA-N 426.330 4.589 30 10 IJEE C=C(COCCC)[C@@H](NCC)c1ccc(Br)cc1I 2142277130 LWRQJOWBXRLQHI-OAHLLOKOSA-N 438.147 4.687 30 10 IJEE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1C#N 2174811574 ZLACHTRRJPQKDT-KRWDZBQOSA-N 437.382 4.720 30 10 IJEE CC(C)[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CCN(C(=O)OC(C)(C)C)C1 2181133362 RKVQENWZLPPWIL-FQEVSTJZSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CCN2c1cc(Br)cc(F)c1C#N 2197339074 IMMPWPZSHHMIEJ-XCLFUZPHSA-N 438.341 4.734 30 10 IJEE C[C@H]1[C@@H](C(=O)Nc2cc(Br)ccc2C#N)[C@H](C)CCN1C(=O)OC(C)(C)C 2200684434 CMRVTRDAAWKPMR-IGCXYCKISA-N 436.350 4.541 30 10 IJEE CCc1ccc(C#C[C@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NC)cc1 2223322504 SHHRCHGMMDHXPG-RPBOFIJWSA-N 436.596 4.689 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 2235718034 CJJRHZQVKOPGEA-LRXVAGHRSA-N 433.390 4.711 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@@H](N)C#Cc2ccccc2Br)C1 2235723717 LMSQOFJIHPQOJK-LQBOVUBWSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@H](O)C#Cc2ccccc2Br)CC1 2235739266 GWITWYDIFWFWOC-BLIXFSHQSA-N 440.353 4.585 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 2235744929 AKTLURSJFGIVSV-IMFGXOCKSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2235746005 GZVTVNIZLTUDIN-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)C[C@@H](C(C)C)N(Cc2ccccc2)C1 2261819286 ICIPLSWNNDVMNT-AHKZPQOWSA-N 437.580 4.920 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CN(Cc2ccccc2)C2(CCC2)C1 2261828794 VQYSULBBWVXJJY-MHZLTWQESA-N 435.564 4.818 30 10 IJEE Cc1ccnc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267507647 RUTLIURZGUPJHN-IBGZPJMESA-N 436.405 4.766 30 10 IJEE C=CC[C@]1(COc2nc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 2272081847 UGIKUIXXFSVNDE-LJQANCHMSA-N 427.339 4.577 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 2296098886 LDQFAHIFZOKZJH-QHCPKHFHSA-N 428.488 4.805 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@H](O)C#Cc1ccc(Br)cc1 2296277836 XFFWYSHGCYNBGR-GOSISDBHSA-N 432.314 4.890 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2296311462 XGKPTDVXOBKATO-XUVXKRRUSA-N 435.406 4.670 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2310843767 FZYNASLEZAWGSK-DUOVIKOCSA-N 441.616 4.843 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]1(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353571 IDWXTKWTSCJQCS-HSZRJFAPSA-N 430.354 4.505 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1ccc(Cl)cc1Cl 2321119622 PYUMBUWKMSQLGT-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)OC(=Cc2cccc(Cl)c2)C3=O)C1 2322408344 YMEVGSFPOLXZIN-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE COc1ccc(-n2ncc(NN=Cc3c(OC)ccc4ccccc34)c(Cl)c2=O)cc1 2323230828 JUMVHASMRRKDPA-UHFFFAOYSA-N 434.883 4.502 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2Cc2ccccc2)cc(Cl)c1OC(C)C 2323511619 YDIWWCITZFDNQF-UHFFFAOYSA-N 430.961 4.879 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OCC(=O)OC 2323597383 HTYOYCJYCWOSIF-UHFFFAOYSA-N 445.309 4.634 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Br)c1OCC(=O)OC 2323959587 PRTXJNFEKABHMG-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)cc2)c(OCC)c1 2324484302 WJTZVSLJOGOBHT-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE CC(C)(C)C(=O)COc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324918141 FZSLSLZGGNXNKS-UHFFFAOYSA-N 428.868 4.817 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCC(=O)OCC(C)C)c3C)C1=O)cn2C 2325068398 CEOCIRZUDZFBOT-UHFFFAOYSA-N 449.503 4.690 30 10 IJEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325104035 PTKDSHGLBLAVEX-UHFFFAOYSA-N 439.464 4.878 30 10 IJEE COc1cc(C=CC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1 2325717277 DNONKQNLFMZSSZ-UHFFFAOYSA-N 435.907 4.826 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1c(F)cccc1Cl 2326186047 SIOWYTKXGBZPBZ-UHFFFAOYSA-N 448.951 4.867 30 10 IJEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(Br)c1 2326350356 LERLZLHHVMPMHE-UHFFFAOYSA-N 437.750 4.883 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCCO)n2N=Cc2cccc(Cl)c2)c1 2327033189 DLQYCFVSJNBAQY-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cc(OC)ccc1OC 2327267932 HQYZFFOQYBIFGG-UHFFFAOYSA-N 440.569 4.794 30 10 IJEE CCCOc1c(C=Nn2c(CCOc3ccccc3)nnc2SCC)cccc1OC 2329181903 RKIRYHWOMNWONE-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccnc2)cc1C 2330631732 AAIUBOTVMMXSMU-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)c1 2331019662 JQIKKOSVYFDJLO-UHFFFAOYSA-N 435.553 4.557 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cccc2ccccc12 2331154730 QZCUZVSULYAHSE-UHFFFAOYSA-N 436.459 4.624 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 2331194176 SQWOEDTXMDRHAX-UHFFFAOYSA-N 447.487 4.921 30 10 IJEE CCCSc1nnc(CCOC)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331294281 KKNGZSZPMBNPJH-UHFFFAOYSA-N 437.613 4.878 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(OC)cc1 2331326384 BKZJYZHCPMDYFU-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2cccc(C)c2)o1 2331392314 PVZMUZUNUCVZCL-UHFFFAOYSA-N 426.542 4.828 30 10 IJEE CC1(C)OB(c2ccc(SCc3ccc(Br)cc3)c(C#N)c2)OC1(C)C 2366984586 XHGRJZDMSKMFBM-UHFFFAOYSA-N 430.176 4.912 30 10 IJEE Cc1c(C(=O)Oc2ccc(C#N)cc2)sc2ncn(Cc3ccccc3Cl)c(=O)c12 2919997 UPOSVQDWPSFUPZ-UHFFFAOYSA-N 435.892 4.559 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1 11539071 VNWMXLANSNWSLC-UHFFFAOYSA-N 439.968 4.640 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039262 SJJMOPQPKJFYAR-UHFFFAOYSA-N 448.544 4.836 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(OC)c2)c(C)n1 32972821 WQFDHXIBRREVQA-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE C=CCc1ccccc1OCCCCn1c([C@H](C)NC(=O)[C@@H]2CCCO2)nc2ccccc21 40196320 LUAYJFPSGCSJFG-CPJSRVTESA-N 447.579 4.980 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 41289866 UFVJHBXVBQEPJD-BKUYFWCQSA-N 434.419 4.987 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 41655712 PDZRICIIYQPOLA-XKZIYDEJSA-N 447.512 4.546 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 63400861 IDKQJERLQIUEHE-UHFFFAOYSA-N 442.947 4.610 30 10 IJEE COc1ccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 108825152 KKMXWGRBMUGGLZ-XYGWBWBKSA-N 427.533 4.868 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1F 169936601 ZYGMAAYWHLZSND-HSZRJFAPSA-N 440.540 4.672 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccc(O)c2)cc1C 170083458 CNUMOHRKNCRMOO-JOCHJYFZSA-N 439.471 4.668 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170118875 LJEQCQUMJWNNMX-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)c1 170248506 HUHIVPHFFXEULP-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)c(OC)c1 170249081 SHTFPQHZIPBHEA-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccncc1 170275007 AEFBIHCPUZQZKP-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299341 WRYNAKAMFGMWPR-IBGZPJMESA-N 440.358 4.557 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](CC(=O)NC)c1ccccc1)c1ccc(C(F)(F)F)cc1 430887807 FSCBIHAZSYJVFI-VQTJNVASSA-N 433.474 4.889 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508847704 LFDZSPFPEWZRFL-GOSISDBHSA-N 439.585 4.687 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 520167625 JHAIXJIOUOTUKP-UHFFFAOYSA-N 441.247 4.892 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 521911709 PXJUIACJWPZFNM-FQEVSTJZSA-N 431.439 4.971 30 10 IJEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc(OC)c1OC 526488939 NEVUGDJKYPNYIU-OAQYLSRUSA-N 448.500 4.703 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526809973 SKMOSXBFMDCZFR-UUYOSTAYSA-N 425.514 4.549 30 10 IJEE COc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(C#N)cc2)cc1Cl 526822333 HRNSVVDLFMUNEJ-RMORIDSASA-N 432.336 4.948 30 10 IJEE CC1(C#N)CCN(c2nnc(Cc3cccc4ccccc34)n2C[C@@H]2CCCCO2)CC1 550041271 ACQYQLDZSSYQQU-QFIPXVFZSA-N 429.568 4.721 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 554630970 MDHZJFPNCHASKM-GOSISDBHSA-N 447.461 4.550 30 10 IJEE C=CCCCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCOC1 559239686 FLPCGVVCDSYWGO-OAHLLOKOSA-N 425.360 4.603 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1c1ccco1 565920000 MOECXQSVGMWLRV-QGZVFWFLSA-N 429.318 4.740 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H]3c3ccc(Br)cc3)C2)c(F)c1 573470871 RMEVMHHGOVCIKN-XLIONFOSSA-N 442.332 4.650 30 10 IJEE COc1cccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)c1 586090650 DNNXDLCJKMSJLV-OBEPATMVSA-N 435.568 4.517 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(C(F)(F)F)cc2)cc1 586256739 LTXSXOUFTUHOHC-UHFFFAOYSA-N 426.460 4.992 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCO[C@@H](c4ccc(Cl)cc4)C3)c2C#N)C1 603900926 HQIRWRQMUVCJMJ-FOIQADDNSA-N 444.000 4.800 30 10 IJEE N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccc1Br 610158193 XNJZJIFBTYDRBQ-YCPHGPKFSA-N 439.231 4.832 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@H](C)[C@H](F)C2)nnc1-c1ccc(Cl)cc1Cl 679249293 JXBKUMNPOYIPMB-MLGOLLRUSA-N 443.375 4.737 30 10 IJEE COc1cc(Br)c([C@H](C#N)N(CC2CC2)C(=O)OC(C)(C)C)cc1OC 698897878 GTHCWQDFDFVSRH-HNNXBMFYSA-N 425.323 4.678 30 10 IJEE C[C@@H]1CCCC[C@@H]1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1 762442319 ZZTGOABLLUCWCR-KUHUBIRLSA-O 428.965 4.584 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)OCc1cc(Cl)ccc1OCC#N)c1ccccc1 769524679 QGRAJJHTUMWKPV-HSZRJFAPSA-N 444.915 4.726 30 10 IJEE C#CCN(C(=O)Cc1cnc2ccccc2c1)[C@H]1CCOc2ccc(Br)cc21 784410582 JDWBZDCGSZVYHZ-NRFANRHFSA-N 435.321 4.525 30 10 IJEE C#CCN(C(=O)N[C@@H](C(C)C)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 787307590 MUNNDKKFWWVTFM-ZBFHGGJFSA-N 433.268 4.504 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1cccc(Cl)c1 802554022 YOOPHRIBWROJSU-UHFFFAOYSA-N 439.947 4.570 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 1084056329 LBAJRKSGBQAUSF-YVLHZVERSA-N 443.462 4.683 30 10 IJEE O=C1C(=Nn2c(S)nnc2-c2ccccc2Cl)c2ccccc2N1Cc1ccccc1 1084105908 HMXGALPJIHLUKP-UHFFFAOYSA-N 445.935 4.686 30 10 IJEE Oc1ccc(Br)cc1C=Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 1084476498 NTSBMDHUEICWJQ-UHFFFAOYSA-N 429.236 4.761 30 10 IJEE C=CCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc(OC)c1OC 1124198673 DJXDCGCWPVLRNM-UHFFFAOYSA-N 429.538 4.802 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2cccc(C)c2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1128112304 QUXFGPHFTGHASA-HSZRJFAPSA-N 448.588 4.850 30 10 IJEE Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(c2ccsc2C#N)CC1 1130928625 GGETVNRYBYMJGK-UHFFFAOYSA-N 428.970 4.668 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)c1C#N 1136222060 GPWHOWLABHCTMB-KRWDZBQOSA-N 434.609 4.714 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC1CCN(CC(F)(F)F)CC1 1137199478 OYCKFPMWADJDQL-UHFFFAOYSA-N 438.412 4.664 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)CC)CC2 1140345883 MNYBGJLHCIGBHB-NVXWUHKLSA-N 433.618 4.929 30 10 IJEE C=CCNc1ncc(C(=O)NCC(C)(C)c2ccc(Br)cc2Cl)s1 1141365497 DLFYRMPNOCHEGP-UHFFFAOYSA-N 428.783 4.865 30 10 IJEE C#C[C@@H](NC(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C)c1ccccc1 1163097400 XPCSBFKUNVXBQJ-LJQANCHMSA-N 439.581 4.670 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1 1179393745 IFDNRKKOUHEPGZ-XZOQPEGZSA-N 437.584 4.547 30 10 IJEE CC(=O)c1ccc(S(=O)(=O)Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 1184524537 RQTCISXJVRGNOR-UHFFFAOYSA-N 430.297 4.834 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)no1 1215111640 BARDRJMJCMVDNK-ZDUSSCGKSA-N 445.401 4.730 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@@H]3COC(=O)N3CCCC3)c2)cc1 1215210524 CBAFHHMAFNJUES-OAQYLSRUSA-N 448.523 4.969 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C)C(=O)NCCc1ccccc1)c1ccc(C(F)(F)F)cc1 1224641873 MDYJBDUSOKMRRO-UTKZUKDTSA-N 447.501 4.759 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C(=O)OCC)c1C 1264357383 NLTHKNBGOQDFII-JKSUJKDBSA-N 447.940 4.972 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccccc2)cc1OCCC)c1ccc(Br)cc1 1275474409 NXOWUEJJEHFBDV-IBGZPJMESA-N 438.325 4.528 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1CCCCC1 1286278464 DGLMDKJZUDGNGZ-OAHLLOKOSA-N 431.378 4.754 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(C)(C)OC[C@@H]1C 1286316468 ITKLFCHJAKHKPU-MSOLQXFVSA-N 426.630 4.939 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286339890 QSXWFGKSFOCYHP-GOSISDBHSA-N 449.368 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1c(C)noc1C 1286401203 OBEBSBVMDKSPDM-UHFFFAOYSA-N 449.967 4.734 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286623298 FJXOCPYWNHJWQK-SFHVURJKSA-N 438.906 4.694 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNC(=O)OC(C)(C)C)CC1 1286640976 REFYVBKLEPVMNO-UHFFFAOYSA-N 449.958 4.809 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)NCCC)CC1 1286656115 QGDMUIHABFOTJY-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1286703813 SLKAIIPMVPSCLL-LJQANCHMSA-N 439.633 4.509 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H]1C 1286714540 RLBLEULKEXIRJY-CVEARBPZSA-N 439.387 4.991 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1nnc(C(C)(C)C)s1 1286728856 IDCNHYHMHUKXFS-UHFFFAOYSA-N 428.631 4.698 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1cccs1)N1CCCC1 1286729512 WRIFRUMVMYTLQN-SFHLNBCPSA-N 443.661 4.718 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1286732379 RDJYUZDNPPEBSO-WAIKUNEKSA-N 442.560 4.681 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC1CCN(CCC)CC1 1286742794 QNJNRVDBNXEZRC-UHFFFAOYSA-N 434.632 4.762 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(F)F)c2)C1 1286803849 GYMNSVXOQOJXBX-GOSISDBHSA-N 445.901 4.761 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=C)Cl)C1 1286813485 VXDYECNHZFMHIB-OAHLLOKOSA-N 443.762 4.698 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1 1293449454 PLZNYOMYWWZGFS-NRFANRHFSA-N 432.973 4.562 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1ccc(CC)s1 1300324767 LODCPMGQGMLFBO-INIZCTEOSA-N 426.611 4.709 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1300348021 IGPWKMKMPYAAQI-UHFFFAOYSA-N 449.502 4.869 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(N(C)C)c1 1300605846 AOAGWBYXEIVPSP-SFHVURJKSA-N 433.625 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1OCCC1(C)C 1300789077 XACXGBQFOFFAAR-XMSQKQJNSA-N 443.389 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCC(C)CC1 1300790665 UIQJLPQRHSNUHP-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1cc(Cl)ccc1OC 1300808132 RWXYQTJVMRNTMG-JOCHJYFZSA-N 426.973 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC[C@@H]1CCCCO1 1300817575 QVRJENAIXAFSHK-YADARESESA-N 440.613 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1300868796 HTICGKADVHCDLM-IBXSQZDTSA-N 438.616 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC(C)(C)C 1300889521 CNQRSPRAUKOVGW-OFNKIYASSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C(C)C)N1CCCC1 1300909372 QSAXHCJVLVNLGV-DEOSSOPVSA-N 434.632 4.960 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN(C)C2CCCCC2)CC1 1301066045 MQVXCZDILOKBSE-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1301097372 VGGNZMHCKNYZLB-JOCHJYFZSA-N 444.988 4.881 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCC1)c1ccccc1 1301167756 FSYIULGVYLTTOG-LJQANCHMSA-N 435.597 4.618 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1301173341 FZDATAYPAWSBSX-GOSISDBHSA-N 429.996 4.764 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301178891 UOHAVTZJRQRYAZ-MSOLQXFVSA-N 445.405 4.927 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)C1CC1 1301346973 MBWVHZDZFYLVBC-GOSISDBHSA-N 436.991 4.669 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1Cc1nc(C(C)(C)C)cs1 1301394310 MVXNVIIUQULLKV-UHFFFAOYSA-N 437.613 4.858 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H](C)CC)n1Cc1ccc2c(c1)OCCCO2 1301405473 HEIRXWOAAFCTBH-IBGZPJMESA-N 436.556 4.829 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(c3ccc4[nH]ccc4c3)CC2)CCCN1C(=O)OC(C)(C)C 1304586972 JLXRGCPVWUQVET-AREMUKBSSA-N 435.568 4.667 30 10 IJEE CCc1nnc(Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)c(C#N)c1CC 1306979503 BCFHZCWKQLQCLN-UHFFFAOYSA-N 436.537 4.803 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 1312239709 ZPMWANBXEPKHOG-IFIJOSMWSA-N 436.375 4.524 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@@H]1C1CC1)[C@@H]1CCOc2ccc(Br)cc21 1312857814 ZOQNAXUZTWHHKN-ILZDJORESA-N 431.374 4.744 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2)c1ccc(Cl)cc1F 1312944332 UVEVGQVOZUKAEE-DSYPUSFNSA-N 449.954 4.631 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 1350754250 ISCILPYDMRDGTM-RTBURBONSA-N 437.536 4.811 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N=c2sccn2Cc2ccccc2Cl)cc1OC 1353538647 OBXZHRHBUIVBJL-VGUHYOJPSA-N 440.952 4.965 30 10 IJEE C=CCC[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)c1ccccc1 1354284202 RNOXHFLBSQUJSH-LJQANCHMSA-N 429.358 4.904 30 10 IJEE N#Cc1ccc(OCC(=O)OCc2ccc(SC(F)F)cc2)cc1Br 1354971074 CTDSFSIOCJNLOF-UHFFFAOYSA-N 428.254 4.758 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1357290640 HSHRIZYFJPZKCU-OAQYLSRUSA-N 431.363 4.855 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1358921940 OEQHQZUPRAVYGH-CVEARBPZSA-N 436.423 4.560 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CC)CCC1 1359020186 UPLWTMPHCHGPJN-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1359052022 RHLINKRUAUGMCO-UHFFFAOYSA-N 436.581 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359094267 YXKRFAYZNATOKK-UFYCRDLUSA-N 445.489 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCCOc1ccccc1C 1359094706 DSJWXPANYFKZEJ-URXFXBBRSA-N 447.583 4.535 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@H]1COc2ccccc2O1 1359196900 XAZNWKMLILYGHK-SIKLNZKXSA-N 426.561 4.542 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359228812 OWCZPUFGSHCMIT-LPHOPBHVSA-N 441.428 4.543 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1 1359259218 OKDFKWNGNPVCPH-PKTZIBPZSA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCCC1 1359263862 ODEAVMXOCBQLHU-FPOVZHCZSA-N 429.634 4.506 30 10 IJEE C#CCN(C(=O)[C@H](CC)c1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1360557248 RNNJQCXAAZEKEU-TZIWHRDSSA-N 442.353 4.937 30 10 IJEE C=CC[C@@]1(C(=O)N2Cc3ccccc3N(C)C[C@@H]2CC)CCCN1C(=O)OC(C)(C)C 1435463388 CRAYBHIYZIPNHU-CPJSRVTESA-N 427.589 4.589 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1439386066 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C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)Oc1cccc(F)c1 1611596983 FYLBVJVMAIAISZ-HOYKHHGWSA-N 425.552 4.747 30 10 IJEE C[C@H]1C[C@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccco2)C1 1612659171 ARUHMQKUNPGANZ-PMACEKPBSA-N 446.599 4.803 30 10 IJEE CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1613061018 DLTXUZHFUOXKOB-LJQANCHMSA-N 436.585 4.596 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3O[C@H](C)C(F)(F)F)n[nH]2)c1C 1625817301 JQXWWPQXKLNNED-CQSZACIVSA-N 433.434 4.658 30 10 IJEE CC(C)(C)c1nc2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2[nH]1 1627221871 DQHURKLSLBIFRP-UHFFFAOYSA-N 427.302 4.512 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1OC 1632623459 KQQIIMLNBLXNFP-QGZVFWFLSA-N 431.357 4.895 30 10 IJEE C#C[C@@H](CCC)NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1635835754 VFTANABBGWSEGH-IBGZPJMESA-N 430.548 4.756 30 10 IJEE C#CCN(C(=O)N[C@H]1CCSC2(CCC2)C1)[C@@H]1CCOc2ccc(Br)cc21 1638809521 LNGKTAVUEOXHDU-FUHWJXTLSA-N 449.414 4.736 30 10 IJEE C=CCn1c(S[C@@H](CC(C)C)C(=O)OCC)nc2sc3c(c2c1=O)CCCCC3 1640569017 RGJRMWUHMYODBN-KRWDZBQOSA-N 434.627 4.983 30 10 IJEE C[C@H](Nc1ccc(C#N)c(Br)c1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1642188722 JCMNZAVJXFTSOC-JSGCOSHPSA-N 426.330 4.907 30 10 IJEE C=CCC[C@@H](Nc1ncnc2c1ncn2C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 1642472385 YXBLGYKLYCRANH-LJQANCHMSA-N 434.544 4.738 30 10 IJEE CC[C@@](CNC(=O)c1ccccc1Sc1ccccc1C#N)(C(=O)OC)c1ccccc1 1642547327 CFDFRQJRGALEBV-SANMLTNESA-N 444.556 4.960 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)OCC 1642955002 YZDTZRZMLIGPNP-JOCHJYFZSA-N 442.943 4.836 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)cc1OC 1652926414 YHMLVNGNDHAPLV-UHFFFAOYSA-N 446.588 4.663 30 10 IJEE C=C(CSc1nnc(-c2cccc(OC)c2)n1-c1ccc(Cl)cc1)C(=O)OCC 1656010030 ATRGPFFMRZGXSF-UHFFFAOYSA-N 429.929 4.808 30 10 IJEE C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1CCC(c2ccc(C#N)cc2)CC1 1656288787 HFFWZFQFICYLNA-HXUWFJFHSA-N 437.543 4.996 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(Br)c(I)c1 1658966053 DVSSAGKVJKXVTJ-JTQLQIEISA-N 437.119 4.920 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)C[C@@H]2CCCC(C)(C)O2)c1 1659248757 RTAOJYZENGALFG-FQEVSTJZSA-N 444.549 4.539 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1c[nH]c2cc(Br)ccc12 1661485593 IRAGYHGSUNXDRM-UHFFFAOYSA-N 435.343 4.629 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)cc1 1673819685 KMGIEEXBCVSSMC-OAQYLSRUSA-N 449.599 4.864 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1681942419 MQMXKGSPVCZVMD-KJJMTIBFSA-N 427.589 4.651 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1)c1ccc(Cl)cc1 1683502931 YEONSUNZYDEEOB-AVRDEDQJSA-N 438.959 4.566 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(Cl)cc1 1683897629 SRJUYSMSPIXMGM-QHCPKHFHSA-N 432.907 4.871 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1689920887 MSPVAQSFSMPATN-HXUWFJFHSA-N 442.629 4.878 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOC(C)C 1690003323 KPRUIVVQVPAGBD-UHFFFAOYSA-N 426.973 4.701 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690024028 PNFYRLAXPQEGBJ-MOPGFXCFSA-N 439.485 4.717 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1690161594 KHNBULWGFONMEL-UHFFFAOYSA-N 442.610 4.580 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1690184232 FWCSMHNTUZPWHO-SFHVURJKSA-N 433.021 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](C)Cc1ccc(OC)cc1 1690203172 SMKBQJWHJOVAOL-AFMDSPMNSA-N 429.568 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H](CC)Oc1cccc(F)c1 1690209053 INDHMUUHDKKNDW-HYBUGGRVSA-N 438.572 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)(C)CC1 1690255524 RXPCOCOCZFIPRT-MXEMCNAFSA-N 430.637 4.804 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1690308560 RZACQOLFQJQPMF-UHFFFAOYSA-N 431.584 4.799 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1690445071 QZXFAKRQHZSELN-ZFGGDYGUSA-N 430.600 4.619 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1690474006 NZJFQBBVUJOHKL-ZWKOTPCHSA-N 448.409 4.786 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1690520831 FSYLGRCRNGPXKN-LJQANCHMSA-N 437.588 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@H]1C 1690580072 YYBPEIINUSPTAD-VGOFRKELSA-N 428.627 4.736 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H]1CCCCO1 1690736183 VUILTNZQUKJWPS-IBGZPJMESA-N 437.613 4.726 30 10 IJEE CC(C)COc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1692443437 FLIRCBYKDSYJHR-VWLOTQADSA-N 430.556 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCC(C)CC1 1705506083 QPXFAUUFMQJWEY-QFIPXVFZSA-N 439.673 4.849 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1705687404 CZJGHGSMGHUAPE-MSOLQXFVSA-N 428.378 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H](OC)C(F)(F)F 1705711776 DJMOCVIXWHTOBI-QGZVFWFLSA-N 446.901 4.977 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1705720630 KONIBNDIMZSBND-GOSISDBHSA-N 435.613 4.616 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CCCCO)C1CC1 1705749280 RRRLUIBPEYECDV-UHFFFAOYSA-N 439.785 4.510 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1705787101 IAJNYUCDZHKKET-QZTJIDSGSA-N 432.634 4.995 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1705810383 WTAHEOAPJDOROR-XUVXKRRUSA-N 447.624 4.616 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1cccs1)N(C)C 1705833980 BEWNLEIUBHCAGO-APWZRJJASA-N 429.565 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(OCC)CCCC1 1705837445 BOMMASXXKMMJSC-UHFFFAOYSA-N 433.394 4.988 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H](C)N1CCC[C@H](C)C1 1705860728 NZCGZDMLZFAXBU-FCHUYYIVSA-N 434.632 4.661 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCN1CCCC[C@@H]1CC 1705867859 WQPQCLOERYNICR-PZJWPPBQSA-N 429.634 4.648 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)COC 1705871468 KYOIMTHGMOMITI-UHFFFAOYSA-N 437.357 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(C)cc1)N(C)C 1705871686 UGTFLHDQNNXBJA-OAQYLSRUSA-N 436.991 4.783 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCSC1(C)C 1705878273 LXYJKWWTAVWXLE-NHCUHLMSSA-N 426.630 4.896 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)SC)C1 1705928587 RUSWRRFIGOBHMX-WBVHZDCISA-N 439.050 4.757 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(Cl)ccc2C1 1705947304 HLCHBSWUYYJTSF-UHFFFAOYSA-N 446.045 4.769 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1722311404 VSTNAEMYZYEPJD-AZUAARDMSA-N 427.574 4.767 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1722312721 KNWWDZVOFZEYPA-AVRDEDQJSA-N 436.581 4.785 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC(C)C)C(C)C 1722315233 YBSBORUHQRJHDL-UHFFFAOYSA-N 448.615 4.910 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722317672 SJXIHTXPAYYSPK-UHFFFAOYSA-N 447.558 4.563 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cn(CCCC)nc1C 1722347608 JQWBOFKJVPHQSN-UHFFFAOYSA-N 431.371 4.675 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)=C(C)C1 1722455813 WNFHJSZRDHILLO-UHFFFAOYSA-N 431.403 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)C1 1722491954 PALVLSRVYPOVAC-FUERGJNASA-N 446.542 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@H](COC)C1 1722494345 LYBCXJKDLVPUQN-VCOUNFBDSA-N 445.007 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722589135 MGMDLGNGIJEBIZ-LJQANCHMSA-N 432.563 4.614 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722618254 DPIAGGIFJDTRIA-UHFFFAOYSA-N 439.579 4.515 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1722656603 FWXAYTXKQNOKIV-SANMLTNESA-N 447.583 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC=CCC1 1740539143 NGXYIAFVYMZBCX-JKSUJKDBSA-N 429.362 4.530 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(F)(F)F)CC1 1740582525 FFDYYAFRMBGKAD-UHFFFAOYSA-N 444.299 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740652369 ZHHFPRSOAOMWAX-SFTDATJTSA-N 439.485 4.648 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](COC)C1 1740787537 FSNQACWULNXYPQ-MOPGFXCFSA-N 444.645 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1740836420 KERCEKBZJCJBBP-XMSQKQJNSA-N 442.991 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740844464 JJRQCUKIHCDMSE-OAQYLSRUSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCOC2(CCC2)C1 1740852575 OWLUHXQHVHNTHR-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1740853152 YNZGHYKUMNDXEX-UHFFFAOYSA-N 439.648 4.997 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740869429 MWUDOBNNUARPIC-NRFANRHFSA-N 439.604 4.924 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC(=O)NC)CC1 1740882050 YNOVMGIMPCDMQD-UHFFFAOYSA-N 448.036 4.543 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1nccs1)C1CC1 1740907206 VQENSXWEXUEKOD-CVEARBPZSA-N 427.549 4.972 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCS1)C1CC1 1740913311 JPEZTEAYODCQSB-SFHVURJKSA-N 449.418 4.670 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)CC(F)(F)F 1740927477 HVCBFHZEVADEIS-UHFFFAOYSA-N 448.320 4.924 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CC[C@@H](C)C2)cc1C 1742247005 HLLQURHWPCRYDI-UTKZUKDTSA-N 434.588 4.714 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1742868247 DCIHAILRCMSFDW-OKZBNKHCSA-N 448.571 4.620 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1csc(CC)n1 1748651878 SRQLXDXNVRCOHY-JKSUJKDBSA-N 439.654 4.851 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccco1 1749047294 UDGNFEDLMALSLH-OAQYLSRUSA-N 436.581 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCOC(C)(C)C 1749126593 FANTXYMWPYUWOC-AVRDEDQJSA-N 437.588 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1749132083 YKPKVRINSRIRGH-RDPSFJRHSA-N 435.572 4.546 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCOc2cccc(Cl)c2)nnc1C(C)(C)C 1749139727 IPQNEEJVULBLHS-YLJYHZDGSA-N 432.996 4.725 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749433377 HLWFCOWMQHSWJQ-HSZRJFAPSA-N 448.615 4.693 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749690138 NSJLJLPSEWEVBS-LJQANCHMSA-N 443.473 4.732 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCCC1 1750059466 ACQKBDOPUAYNOQ-RBUKOAKNSA-N 445.011 4.543 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)Oc1cccc(F)c1 1760173019 HDCHUCDSAAOWAX-SJORKVTESA-N 438.572 4.807 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C)CCCC1 1760199209 VZMYUXZXIZTITK-UHFFFAOYSA-N 428.536 4.770 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@@H](C)C1 1760243516 MXJDPSHWDDNSOU-AZUAARDMSA-N 438.572 4.524 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1760343002 UITVKTZLXOWLGZ-UHFFFAOYSA-N 430.434 4.656 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760422114 AOBXKTWOJAWMOU-OAQYLSRUSA-N 435.532 4.556 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C2CCOCC2)C1 1760532902 INGDMTJQOXVFRD-OAQYLSRUSA-N 438.616 4.733 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1762938842 FIGLYBOVEUMUJY-NHCUHLMSSA-N 446.643 4.762 30 10 IJEE Cc1cc(C)c(NC(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)c3ccccn23)c(Cl)c1 1858244631 LDDOJGSZRPCURP-UHFFFAOYSA-N 443.894 4.981 30 10 IJEE O=C(/C=C/c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 1860730784 HHUNNSNOVQAFRU-QDEBKDIKSA-N 449.890 4.911 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)COc1ccc(OC)cc1C(C)(C)C 1861623041 DEBSERRFQQAVQC-NRFANRHFSA-N 434.621 4.743 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccccc2Cl)cc1 1862391934 LZXYGSKYWWDAOS-BTYIYWSLSA-N 427.928 4.642 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Br 1862453139 SITNUJWWSGRWNA-QGZVFWFLSA-N 432.701 4.867 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1 1862468576 RWQAJIHCIFKLOM-KPZWWZAWSA-N 430.298 4.532 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(F)cc1F 1862491619 XOODUUDNADEZRX-QFIPXVFZSA-N 442.506 4.502 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862534513 SWEFMDZXZQMBER-QFIPXVFZSA-N 433.504 4.858 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2)cc1 1862556110 PGTZTZPYBKCXLY-NPMXOYFQSA-N 446.478 4.756 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1OC 1862575582 ABZBXDPHFILDFG-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(C)cc2)cc1 1862589917 WXXCEDMESOFHFS-XMMPIXPASA-N 427.500 4.830 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862617847 KKYUJEVLMZKBSD-XOBRGWDASA-N 427.928 4.597 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC)c1 1862619249 QUMZMXNCOUJDGE-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 1862625332 DHPINVMPAYXFBU-HSZRJFAPSA-N 447.487 4.590 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)OCO2 1862626482 CPFPPBAIZMAELE-JOCHJYFZSA-N 437.467 4.856 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C(C)C)cc1 1862642630 GUAZXLFXBDHZIZ-NRFANRHFSA-N 427.472 4.610 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862672783 GWIZAGTVIDDAJF-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)cc1OCC 1862684172 QYOKEOPAWGNCLF-OAQYLSRUSA-N 427.472 4.610 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)cc2)c1 1862699772 YIABDZCDSBFRAP-HSZRJFAPSA-N 433.504 4.870 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862752584 YXOQDOHXCAAEFX-IBGZPJMESA-N 438.823 4.620 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863100540 SQEKODDADNEZQK-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(C(C)C)cc1 1864206201 PITNSXOBIQSNRW-OAQYLSRUSA-N 442.563 4.690 30 10 IJEE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 1866817342 CZSIWBSBDFLKFI-KPUQOTSHSA-N 443.934 4.981 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)n(-c2ccccc2)n1 1870001357 AXEOYGUJYBEXTB-HXUWFJFHSA-N 445.567 4.975 30 10 IJEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)CCCOc1ccccc1 1870144720 IWYDMDKDBSLBJB-UHFFFAOYSA-N 438.491 4.680 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(OCC(C)C)c2)cc1 1870153579 ANHHJCQMWATYRL-UHFFFAOYSA-N 433.512 4.605 30 10 IJEE CCCCCCCOc1cn(CCCOC(C)C)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870411995 VKYZBCJBJPNBCV-FGZHOGPDSA-N 436.637 4.622 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1CCCOCC 1870440444 KNRKFOLHESCBQG-UHFFFAOYSA-N 430.976 4.681 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccccc2C(C)C)cc1=O 1871006866 ZDHFHMRPZHRZIS-UHFFFAOYSA-N 430.548 4.847 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CNc1ccc(C)cc1 1871163386 HLSYGHRRAIJZHZ-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(C)cc1 1871185075 AVFRUBLBHDKIKW-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE C=CCn1nc(C(=O)Nc2c(Cl)cccc2Cl)c(I)c1C 1871323943 KUADRMPZVNCLJK-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 1871370204 FZMOTGVYFAWTNY-NVMNQCDNSA-N 441.317 4.848 30 10 IJEE Cc1c(OCC(=O)OCC(C)C)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871427740 QZPLAXIDVGJJKD-GRSHGNNSSA-N 445.309 4.952 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)nc(Nc2ccc(C)c(C)c2)[nH]1 1871525294 SSVBDNATICKNFX-UHFFFAOYSA-N 428.584 4.795 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872083448 FXNFEIXTAAKFBP-HSZRJFAPSA-N 428.598 4.850 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)c1ccccc1 1872161236 CWNIEPLIWOLXAC-FQEVSTJZSA-N 444.597 4.850 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CCCC 1872164237 PHQNQORLECEQMY-QFIPXVFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 1872260982 UDYKCEVGXNTTIP-KRWDZBQOSA-N 444.981 4.771 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872496955 OBGFALPWIVQWMK-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN(Cc2ccccc2)Cc2ccccc2)nc1C 1872797180 BXQALVNHOYHLTF-OAQYLSRUSA-N 447.560 4.507 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2cccc(OC)c2)C1=O 1873048330 ONFHSTYQXPHXKC-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2[C@H]2CCCO2)cc1 1874453586 MYAMXPCWBYQHPH-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(O)cc2)c(C)c1 1874486856 NYEGMONKJHYKHO-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2F)cc1 1874493709 AISSKMJZNOBSPH-AFUMVMLFSA-N 437.544 4.860 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1 1874633126 MXFRUNOBZWPGCL-NTEUORMPSA-N 425.525 4.627 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1sccc1C#N 1888787448 GTXBGECILZVUNS-OAQYLSRUSA-N 431.517 4.876 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)ns1 1891454583 GYPHLGFMGWUJEU-UHFFFAOYSA-N 434.414 4.780 30 10 IJEE CC1(C)OB(CCCOCc2ccc(Cl)cc2I)OC1(C)C 1901665504 KSBFPGGUZBHEIX-UHFFFAOYSA-N 436.526 4.944 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 1902202489 XCUOXUYDMNXZNN-IFXJQAMLSA-N 435.487 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C 1949524701 LMSFFKMVERVROD-FCHUYYIVSA-N 434.621 4.836 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1C(F)(F)C12CC(NC(=O)OC(C)(C)C)C2 2026164121 PVJAWGLKYRYFAA-XLLHFJCQSA-N 436.543 4.676 30 10 IJEE O=C(C=Cc1ccccc1Br)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2040458980 MZFPMGNEGNDQRD-UHFFFAOYSA-N 448.382 4.910 30 10 IJEE O=[N+]([O-])c1c(Br)nn(Cc2cc(C(F)(F)F)ccc2F)c1C(F)(F)F 2079165687 TVCWBGVCZQMUMR-UHFFFAOYSA-N 436.081 4.779 30 10 IJEE CC[C@H](c1ccc(OC)cc1F)n1nc(C(C)C)c(C=NO)c1I 2080052558 NOUJRNFQUNZUBW-OAHLLOKOSA-N 445.276 4.566 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1cc(Br)c(C#N)cc1F 2118151853 VIUKQYHVUGUSQK-SJCJKPOMSA-N 426.330 4.542 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(F)c(Br)c2)NC)C1 2126686196 XXYWMNVOQRZOSN-QGZVFWFLSA-N 427.358 4.580 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCCC 2126704340 KUFYMGWNYNPNRS-HUUCEWRRSA-N 433.337 4.717 30 10 IJEE CCc1nc(Nc2ccc(I)c(Br)c2)c(C#N)cc1C 2155477290 INODRPXSPZEQKN-UHFFFAOYSA-N 442.098 4.935 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC2(CC1)C[C@@H]2CN 2158293004 TWPGUBKTIZCCCS-TVRCVXMWSA-N 434.378 4.992 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 2159128471 RZITYPYNVNSRHR-IAGOWNOFSA-N 441.414 4.574 30 10 IJEE C=CCC1(NC(=O)c2c(C)cccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2174760252 ILJXFFNTQQRZKV-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC1CC1)c1cc(Br)cc(C#N)c1 2174811747 BVVHDPRMVNFBNE-GOSISDBHSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 2181054799 BECHNSMCEDFPIL-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1C#N)c1ccccc1 2181136185 HIXINJMSPCVEMX-QGZVFWFLSA-N 430.302 4.525 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(Br)cc2C#N)C1 2181143122 DYHMLSRAGUENDZ-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3cc(Cl)cc(Br)c3)c2)OC1(C)C 2199694139 QMCXUMNXUBIALT-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CC1(C)CCC(CNc2ncc(Br)cc2C#N)(NC(=O)OC(C)(C)C)CC1 2201481020 YFSCKESCUCFQNB-UHFFFAOYSA-N 437.382 4.991 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235719765 BHHUDVFBFXTOSR-MJGOQNOKSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@@]1(C)NC(=O)OC(C)(C)C 2235725298 JEWQHQUMFAAIIQ-SFGWALBWSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@@H](O)C#Cc2ccccc2Br)C12CCC2 2235725718 DRWCDSSPFKMLGX-ZIFCJYIRSA-N 434.374 4.635 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1C#N 2243910287 GNHJJWSCSUHOLY-UHFFFAOYSA-N 443.478 4.953 30 10 IJEE C=CCCC1(C(=O)Nc2cc(C)c(C)nc2Br)CN(C(=O)OC(C)(C)C)C1 2280950588 UKFPPIQHZSQWOL-UHFFFAOYSA-N 438.366 4.603 30 10 IJEE C=C(Cl)C[C@H](OCCCN)c1cc(Br)cc(Br)c1OC 2294078669 VPRQAZIDFZTZOA-ZDUSSCGKSA-N 427.564 4.769 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(F)F 2296280256 YIIALGGSLPQARU-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCCC1CN(C(=O)OC(C)(C)C)C1 2296301095 QPFPPPXJMOQTRO-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CCC[C@@]1([C@H](N)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296305056 OFQHOLDBWCHFJJ-DENIHFKCSA-N 435.406 4.945 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=C3Oc4cc(OC)ccc4C3=O)cc2OC)cc1 2314527232 KYEVTQGENLOXEJ-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1cc(C=C2SC(=Nc3nccs3)N(c3ccccc3)C2=O)cc(OC)c1O 2314542972 RSIXDVBENATKBS-UHFFFAOYSA-N 439.518 4.675 30 10 IJEE CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)c(OC)c1OC)C3=O 2322040358 RRXRGWNUXBZLMS-UHFFFAOYSA-N 439.508 4.589 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccco4)c3C)C2=O)cc1OC 2323160717 QOZLHQDSPIMQLF-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C=Cc1ccc(OC)cc1OC 2323511342 PPEHONVRZJCSBS-QFIPXVFZSA-N 432.605 4.869 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c(OC)c1 2323770094 BIVPVBPNFJWFHR-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)cc1 2324220952 PMTAXEQDGQUJIK-UHFFFAOYSA-N 430.456 4.856 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(F)cc1 2326832385 OTTWCZHWLYXDLH-UHFFFAOYSA-N 426.517 4.945 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(=O)OC)cc1 2327264826 SSAPVBBBIPRPEL-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccnc2)cc1 2329159172 XPOBQGHXPDNUKH-UHFFFAOYSA-N 433.512 4.608 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccco2)c1C 2330808183 WWJGTLGNAPBBII-UHFFFAOYSA-N 425.558 4.690 30 10 IJEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)ccc1O 2330812627 UIVIJDPAHCQYJC-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)OC)cc1 2330855726 MVSVHIHVGYGKIV-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C2CCCC2)cc(OC)c1O 2331069302 YNORSYHZUYASPK-UHFFFAOYSA-N 438.553 4.833 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)c1 2331545235 JVDZOSRTCNILQK-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2339544960 NWWVQPVNWMOIIJ-SFHVURJKSA-N 441.381 4.538 30 10 IJEE N#Cc1cc(F)c(NCCC23CC(I)(C2)C3)cc1Br 2353309083 HPVDGPCRGCKXOS-UHFFFAOYSA-N 435.078 4.620 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2358671934 PPXZRYAPEVDCDM-HQRMLTQVSA-N 435.406 4.672 30 10 IJEE C=CCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C(C)C 9538355 MTCGMTCWTIKSQO-UHFFFAOYSA-N 427.957 4.557 30 10 IJEE COc1c(I)cc(/C=C2\Sc3ccccc3C2=O)cc1[N+](=O)[O-] 20076532 FTFHGKOWBLHERV-ZSOIEALJSA-N 439.230 4.538 30 10 IJEE N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3cnc4ccccc4c3)C2)c1 20503308 FCKLPIYAAGMNOE-XUZZJYLKSA-N 432.527 4.554 30 10 IJEE biogenic C=CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)nc1C 32528354 VBQHCDASJXFBGR-AWEZNQCLSA-N 427.551 4.770 30 10 IJEE COc1cc(/C=C/C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)ccc1OCC#N 33178138 DQONJEGIZFDWOE-VISDOYDDSA-N 426.516 4.948 30 10 IJEE COc1cc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 34954588 IENASBJGFMNBFI-PQMHYQBVSA-N 436.435 4.967 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)CC 36116373 UPFJIVQHEIQCMF-HXUWFJFHSA-N 447.000 4.639 30 10 IJEE COc1ccc(C(=O)O/N=C(\c2ccc(OC)cc2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 38194985 JZUFUKPTMPEVPI-RYTXTXLDSA-N 445.471 4.797 30 10 IJEE CCc1ccc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)cc1 38623299 URAMLFPFYFJKJU-ROUUACIJSA-N 430.504 4.556 30 10 IJEE COc1ccc(CCn2c(O)c(/N=N/c3cc([N+](=O)[O-])ccc3C)c(C)c(C#N)c2=O)cc1 39871420 CDONLZHXXDFIGX-OCEACIFDSA-N 447.451 4.617 30 10 IJEE C[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)Nc1ccc2ccccc2c1 59049239 JAQWTJUKFQSRFQ-HNNXBMFYSA-N 426.501 4.993 30 10 IJEE COC(C)(OC)C(=O)/C=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C/C(=O)C(C)(OC)OC 138738145 AVTICHPBCQNNQE-LMXFRNPVSA-N 444.568 4.816 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2O)cc1 169923792 DCEMVDPEBHQJBL-NRFANRHFSA-N 435.863 4.837 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccncc2)c1 170025612 KCZSWGIUXQWLRP-QHCPKHFHSA-N 430.479 4.924 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2C)cc1 170088812 ZPEJRRGQJGIEKC-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)c(C)c4)[C@H]3c3ccco3)nc2c1 170098517 SRAAQDKSASVWAM-HXUWFJFHSA-N 431.423 4.695 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)c1 170167649 AFLOURRZQAPLQX-XMMPIXPASA-N 440.499 4.752 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1 170196715 YWYSLLMWZIVAQD-IBGZPJMESA-N 449.334 4.782 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccccc1C 170277000 GNQRRFMINDIPME-HXUWFJFHSA-N 429.900 4.654 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccco1 170292544 HEWPFNNMWHCELA-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2O)o1 170300969 UAMXVCWLMLQBGY-JOCHJYFZSA-N 433.460 4.864 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(C)o2)cc1 170305915 HAKYXOYXQBFMHM-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE Cc1ccc(CN2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 404402558 WVBDFCBKKLYPEA-YTFSRNRJSA-N 448.460 4.778 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Cc3ccc(OC)cc3)CC2)cc1 506673264 GMZHJGYNJORNKF-UHFFFAOYSA-N 447.579 4.996 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2ccccc2F)C1 508864386 OGZDFIYQICCIEV-IBGZPJMESA-N 443.320 4.611 30 10 IJEE COc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1O 526800751 XALGTJJDGLDMQO-ONUIUJJFSA-N 444.560 4.952 30 10 IJEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2cccc(C(=O)OC)c2)cc1 526826552 VIAAYRPMZDSHTQ-MYYYXRDXSA-N 438.553 4.808 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 534566759 YAOXXNAIQWANNC-GOSISDBHSA-N 431.277 4.840 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 555270014 VXXVSBGLJRRMLD-GOSISDBHSA-N 430.581 4.834 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](n2cc(C)cn2)C1 574782556 LDMBFLIEJOVVPX-KRWDZBQOSA-N 441.377 4.630 30 10 IJEE Cc1cccc(CC2CN(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)C2)c1 610629161 IYGCOFKLQGPRFI-UHFFFAOYSA-N 435.578 4.717 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(c3nccc(C)n3)CC2)c1=S 758245128 FKIGEISBLTWYTP-UHFFFAOYSA-N 441.004 4.856 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2CCC[C@]3(C2)OCc2ccccc23)c1=S 774706389 UPHQWDWSFOBKOU-RUZDIDTESA-N 448.592 4.658 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2cnc3ccccc32)nc1 775225938 CNOJMJOMJFNIIB-HXUWFJFHSA-N 437.503 4.506 30 10 IJEE CSc1ccc2cc(COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(Cl)nc2c1 780179635 YDHWPCYLGQCCPM-OAQYLSRUSA-N 434.945 4.915 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(CSc3cc(C)ccc3C)c2)n1 788820509 RRMLJROTYGBIRX-UHFFFAOYSA-N 447.604 4.714 30 10 IJEE COc1ccccc1-c1nc(C2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)no1 792333667 WHKSLSKIKIHQFP-UHFFFAOYSA-N 438.915 4.681 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 804834212 BNBCMIJKIRJRIR-FQEVSTJZSA-N 441.959 4.661 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cccc(OCc2ccccc2C)c1)c1ccc(Cl)cc1 810472220 GHUPRWPXJCDQSR-QHCPKHFHSA-N 432.907 4.657 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@@H]1C[C@H]1c1ccccc1Cl 920371919 XPLZLEIXDXFLAI-OALUTQOASA-N 432.977 4.501 30 10 IJEE CC/N=C1\S/C(=C/c2cc(OC)c(OC(C)C)cc2Br)C(=O)N1CC 1084237068 CQJBLGTUFACKAS-CKVMPVPTSA-N 427.364 4.557 30 10 IJEE COc1cccc([C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c2cc(F)ccc2OC)c1 1126899159 AEFVDSKGGRBPHL-NSYGIPOTSA-N 432.495 4.799 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)c21 1127511858 DQXOULQPJWDVNA-UHFFFAOYSA-N 448.914 4.751 30 10 IJEE C=C(C)CONC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1144640093 KBXMRSKQNSRBLO-VKAVYKQESA-N 430.504 4.976 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(=O)Nc1c(F)cccc1F 1162667434 BEMODWCTHZRNKG-CYBMUJFWSA-N 439.384 4.643 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H](CC)C(=O)N(C)c1ccc(C)cc1 1165768761 KTIFZPLNUQMMMZ-OAQYLSRUSA-N 436.581 4.885 30 10 IJEE CCO[C@H]1C[C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCCCC2 1169998654 FAZCKSFRXWXMEN-YADHBBJMSA-N 426.605 4.748 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1C#N 1205448267 GFZDUJCXGXEXKE-SFHVURJKSA-N 446.551 4.884 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@H]1CCN(C(=O)OCc2ccccc2)C1 1206233371 XADKVUBYWKEYEU-SFHVURJKSA-N 431.330 4.837 30 10 IJEE C=CCC[C@H](NC(=O)Nc1nc(-c2cnn(C)c2)ns1)c1ccc(C(F)(F)F)cc1 1210321249 WQBLREAPHLSJTB-HNNXBMFYSA-N 436.463 4.786 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1214969799 ASGRTACLXCNPNS-IBGZPJMESA-N 436.512 4.872 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccccc3)cn2)ccc1OC 1216619471 HTDLIAKWKPAVQA-GOSISDBHSA-N 432.480 4.885 30 10 IJEE C#C[C@H](NC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)c1ccc(Cl)cc1F 1275499576 ZESILPGXTBBHLI-NRFANRHFSA-N 442.918 4.756 30 10 IJEE C#CCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1286348427 WQOUAGZKYOXGJF-GOSISDBHSA-N 430.325 4.596 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1CC 1286450865 LTXUBXDIEHUEHN-MSOLQXFVSA-N 445.405 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCOc1ccc(Cl)cn1 1286518122 BKUUBRRCTAIFOA-PXDATVDWSA-N 449.986 4.940 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 1286550289 HTKOATLFBCMSBI-DENIHFKCSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](COCC)C1 1286553874 VWTGVOCJXFQEPW-QTJGBDASSA-N 438.616 4.742 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCCCN2CCCC2)CC1 1286637733 LSAPHEJIHXUIJL-OAQYLSRUSA-N 441.595 4.980 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCSc2nccs2)CC1 1286649662 ZCAFJJSPXAGGHL-UHFFFAOYSA-N 441.626 4.961 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1286678724 CNVZFHYSHCZRRZ-RTWAWAEBSA-N 426.630 4.864 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286707517 DWOFZBMESGXIKT-HXUWFJFHSA-N 432.996 4.975 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCOc1cccc(C)c1 1286719210 KQVCYJSXPDTGGV-UHFFFAOYSA-N 433.375 4.779 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1Cc1nc(C(C)C)cs1 1286764587 TXBYOSNLBAURJB-UHFFFAOYSA-N 436.585 4.740 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1 1286796076 GUFOJUTZMDABHZ-RTBURBONSA-N 426.630 4.954 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cscc2C)C1 1286813508 WEYXXOXQEVIGRD-JOCHJYFZSA-N 438.597 4.673 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCc1ccc(F)cc1 1287084865 BKQATPUMRSOLRE-FGZHOGPDSA-N 439.579 4.709 30 10 IJEE C[C@@H]1C[C@H](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1291020320 DOEGDVHVUCZQFH-IXTSFIEUSA-N 443.636 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)[C@H](C)CC 1300281711 LHAAESQDRNQYPE-ALKREAHSSA-N 433.394 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCS1 1300317715 UDGGDMZLLBGICI-PKOBYXMFSA-N 433.021 4.605 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1300832115 DIEHFSGVQUVVEH-CYBMUJFWSA-N 446.418 4.780 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](C)(CC)C1 1300856484 DSDXVPOWBSMLQP-OAQYLSRUSA-N 428.378 4.816 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1301164591 BFSIXVFERHQDFE-VWNXMTODSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301208000 KURUTYHMQKKGPQ-OUDXUNEISA-N 438.616 4.982 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2CCCC[C@@H]2C1 1301208602 ZNVMKYYGRFQDRC-LJQANCHMSA-N 444.421 4.657 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1csc(-c2ccco2)n1 1301271327 YJXBZVNJVAFPBC-UHFFFAOYSA-N 443.479 4.934 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@H](F)C1 1301338484 ZOGJOCNAKKDCAK-NHCUHLMSSA-N 435.547 4.603 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1Cc1cccc(C(F)(F)F)n1 1301413700 ZXHIJTFFZDUNKT-UHFFFAOYSA-N 431.462 4.521 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1ccsc1)N(C)C 1303635483 GXHAQLNWMQLZMZ-KKSFZXQISA-N 433.585 4.529 30 10 IJEE Cc1oc(NC(=O)CN(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)c(C#N)c1C 1307441701 AFXCAUIGHDHSCX-CKJXQJPGSA-N 437.540 4.762 30 10 IJEE C#CCOc1ccc(CN[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 1308396688 CGFSYMYUSMLVBL-OAQYLSRUSA-N 427.386 4.837 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)N=[S@](C)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1309335045 PTGCEJOMAOSZPJ-KWMCUTETSA-N 446.516 4.704 30 10 IJEE C=CCC[C@H](NC(=O)N(CCOC)CC1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 1312344127 VSAVRPXLFDCLKV-NRFANRHFSA-N 441.538 4.713 30 10 IJEE CCOC1CC(CCn2c(CC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)C1 1314237764 FANBKUQHLDCPCW-UHFFFAOYSA-N 433.600 4.847 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)ccn1 1316412768 BMNXXRAXZHGIDL-INIZCTEOSA-N 430.537 4.772 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C/c1ccccc1OC(F)(F)F 1353828948 KTTQAKOIJJWFHD-ZHACJKMWSA-N 436.382 4.728 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1sc(C)nc1C 1358898990 DWKUFIVDCRNQCR-CYBMUJFWSA-N 432.018 4.803 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C[C@H]1CCOC1)C1CC1 1358908975 PVTSCLCBMLHPFO-QGZVFWFLSA-N 443.389 4.516 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1359154107 DNNBOOBZLLOMAU-UHFFFAOYSA-N 431.987 4.615 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@H]2CCCOC2)CC1 1359162207 IPBFAWAXVMOJAM-HXUWFJFHSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1359164048 CLDBHQWNABDYKP-UYAOXDASSA-N 429.609 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)N(CC)CC)CC1 1359176574 GEXBDHDSPFKGDE-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359200959 XSAFQLXDKHNGCX-ICSRJNTNSA-N 425.577 4.651 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359212136 AXBUQQFITDCHFP-HXUWFJFHSA-N 425.577 4.747 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nnc(C(C)(C)C)s1 1359234058 BGYXYBFYAGDUBO-CQSZACIVSA-N 442.658 4.951 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCc2nc(C(C)(C)C)cs2)C1 1359317105 BVIRYFNJFLMMAA-LJQANCHMSA-N 437.613 4.723 30 10 IJEE C=CCc1cc(C(=O)NCC2(c3ccccc3Br)CC2)cc(OC)c1OC 1360717832 ZPEALNBATVINAH-UHFFFAOYSA-N 430.342 4.656 30 10 IJEE Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1360935365 HRGZMCRZLZYMPX-UHFFFAOYSA-N 443.580 4.591 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)c1 1361103795 IYXWBZSSYVXELC-UHFFFAOYSA-N 436.393 4.707 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1ccccc1 1439951668 QAENTRHUJVRFKS-MHZLTWQESA-N 448.382 4.737 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@H](C)C2)cc1 1443771340 RYKOJVRXYZWZJI-VNZMSGEBSA-N 440.609 4.757 30 10 IJEE C#CCONC(=O)c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1453281914 RJSZTCDBFBMRED-UHFFFAOYSA-N 426.472 4.651 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@H]1CCOC2(CCN(Cc3ccccc3)CC2)C1 1455714712 GHJTZDNHJYBUIP-QFIPXVFZSA-N 436.621 4.908 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 1460180028 KSPWLSLTWRAGDA-UHFFFAOYSA-N 436.851 4.983 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)COc1ccc(OCc2ccccc2)cc1 1460442026 DKTYZVNPXKNLTC-UHFFFAOYSA-N 438.487 4.649 30 10 IJEE Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](CC#N)c3ccccc3)ccc2C)c1 1463674142 HWVCXOBGVXEUIJ-QFIPXVFZSA-N 433.533 4.740 30 10 IJEE C#CCN(CC(=O)Nc1nc(-c2ccc(CCCC)cc2)cs1)C(=O)OC(C)(C)C 1464913146 OABXLXXWKUTVAH-UHFFFAOYSA-N 427.570 4.962 30 10 IJEE C=CCNc1ncc(C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)s1 1465778501 CDTAIWQHODYMOK-UHFFFAOYSA-N 438.738 4.799 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)[C@@H]1CCc2ncsc2C1 1469799534 MSCMQJZZSJXSNY-MJGOQNOKSA-N 435.634 4.879 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 1470785666 BYWNFDZFDPYPPV-UYAOXDASSA-N 425.598 4.812 30 10 IJEE CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 1473298387 HBAWFMQBVIIPGR-FQEVSTJZSA-N 436.552 4.701 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCCO[C@H]2C(C)C)cc1OCC 1474027533 GJJQEPITQSZDBJ-XLIONFOSSA-N 426.395 4.953 30 10 IJEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)C1 1493695336 FGRPIPWERRATJX-RBUKOAKNSA-N 434.613 4.635 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCN1CCC 1507518749 NBBWFNNCNAMXIF-RXVVDRJESA-N 448.640 4.709 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cc(Br)cs1 1507602270 MXYDVBNAMJRQQA-UHFFFAOYSA-N 441.398 4.690 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](CC(C)C)N(C)C 1507665209 ZIFPMJRSCSCCHD-IBGZPJMESA-N 446.426 4.691 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H]1CC 1507746579 ABRWGLUEYMDOIY-QAPCUYQASA-N 433.419 4.699 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(F)(F)C1 1507753068 IGPBDTSRTRPTOK-UHFFFAOYSA-N 434.556 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(NC(=O)CCC)cc1 1507819339 PTIJJHWCGWVWAZ-OAQYLSRUSA-N 425.577 4.709 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1ccccc1Cl 1507826471 PCBYNFMRICZLIS-QFIPXVFZSA-N 446.020 4.597 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1507832205 SXSAFRXWAYSAOO-AZUAARDMSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC2(CCCC2)C1 1507926769 JFJHJFMREGGPSA-UHFFFAOYSA-N 442.629 4.866 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507928595 KTYWRAXGZVEGDB-HNVPCBRESA-N 438.616 4.915 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1507944795 YWRTUTZSEBRUPQ-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(CC)C1)C1CC1 1507988808 WCXKDLKMMZJTQD-ROUUACIJSA-N 429.996 4.568 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(CC)s1)C1CC1 1507989179 ZZPOJYTZYNKQDK-UHFFFAOYSA-N 432.391 4.863 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccs1 1508107769 GHIDPWNRSDHWNL-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](CC(C)C)N(C)C 1513217101 CWFWZUQBHRREOW-RPWUZVMVSA-N 436.648 4.926 30 10 IJEE C#CC[C@@]1(C(=O)NCc2cccc(COc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1517566355 RGGVQTBFOYOZQV-MHZLTWQESA-N 448.563 4.675 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)cc1 1518341610 BBERTMMGVTWLCH-GRGXKFILSA-N 441.487 4.994 30 10 IJEE N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Cn3cc(Cl)cn3)s2)cc1 1526858304 BHGQXLLRZITYEF-UHFFFAOYSA-N 438.862 4.723 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)CCCCNC(=O)OCc2ccccc2)c1 1527974162 ATVBQSJVWNRROV-UHFFFAOYSA-N 430.504 4.891 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1528528648 VACWMALGZKTFKE-GMAHTHKFSA-N 446.657 4.572 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1 1534344129 ONCGXYUHNGNXBL-PXNSSMCTSA-N 427.342 4.626 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)cc1 1537826564 XFOYSXNIFJGNFA-OAHLLOKOSA-N 436.430 4.981 30 10 IJEE C#CCOc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1 1537950011 QJSSKLZDCXWFPO-UHFFFAOYSA-N 426.303 4.932 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@H](SC)C1 1539101767 ICCNEIRIGBVTGV-AWEZNQCLSA-N 439.448 4.904 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCc1ccccc1 1539350382 JUGABCUYHFCXDK-IBGZPJMESA-N 434.609 4.808 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](CC)C1 1539500157 UIIHGRLYZHHGET-MRXNPFEDSA-N 433.419 4.700 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(Cc1cccs1)C(C)C 1539505725 LUDVTBKYXHKJJU-UHFFFAOYSA-N 426.611 4.797 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCCCCC[C@H]21 1539603459 QGQGNPFUUDJSGS-NVXWUHKLSA-N 436.423 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1539682073 GAJVPCTXHBHAMJ-MLHJIOFPSA-N 430.515 4.698 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CC)C1 1539801674 FYRWKQUEIMLFPS-ZWKOTPCHSA-N 438.016 4.772 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1539871029 GPWDVPSHGZWLBC-UHFFFAOYSA-N 432.996 4.891 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)S[C@@H](C)C1 1539905525 BNUOTVNBNLPRCZ-KBPBESRZSA-N 438.439 4.968 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](NC(C)=O)C1 1539953961 QLNXKISDOCRFDD-HXUWFJFHSA-N 441.645 4.737 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1 1540127039 NTBOCPUTVZLASF-VXKWHMMOSA-N 430.600 4.653 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCn1cc(C)cn1 1540185530 SCDAVQPYJXVBPC-UHFFFAOYSA-N 436.947 4.632 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@H](C)C2)c1 1543739064 SGMRBINOTXFXAN-ZWKOTPCHSA-N 447.000 4.887 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 1543771803 VWMGPRQHFFBYFH-QAPCUYQASA-N 427.570 4.602 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)CN2CCCCC2)cc1 1546188463 AQYDOSXMYIBGLP-OAQYLSRUSA-N 434.632 4.760 30 10 IJEE C#CC[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 1558991155 HGJWVVQNPRCJDS-GFCCVEGCSA-N 433.722 4.976 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1ccc(C)cc1 1559391169 RRTXJSSEOOHTER-MRXNPFEDSA-N 438.553 4.535 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 1559683708 OCRFCHLTNIRSPK-QHCPKHFHSA-N 437.971 4.751 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1ccnc2c(C(=O)OC)cccc12 1560879660 HINAYRSJDBWLFJ-UHFFFAOYSA-N 427.298 4.961 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCCC1(C)C 1564041792 LVYZYAVALKBQAS-OALUTQOASA-N 435.515 4.560 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)NCc1cc(Cl)c(I)cc1OC 1564658280 SPHHPQIIJGODAP-ZDUSSCGKSA-N 448.732 4.593 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)cc1 1565672443 ZLHBXEATHSXZDD-NSHDSACASA-N 447.771 4.602 30 10 IJEE C=CCc1cc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc(OC)c1OC 1584350036 UIBQZYIDWXHPAR-UHFFFAOYSA-N 435.351 4.702 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(C)c1 1585491935 BTTUATBATFBTIC-UHFFFAOYSA-N 426.520 4.846 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1587562403 OSRLYRPVWFSYCU-ZJOUEHCJSA-N 439.604 4.533 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1587723929 WDXLJJSKEGBOCL-IBGZPJMESA-N 442.007 4.535 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1587759081 NREFHOHQESTWNK-VJTSUQJLSA-N 449.643 4.813 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(C)CCCS1 1588162393 QTBKFFULCDTJQR-VWLOTQADSA-N 436.625 4.647 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1588254511 XVVLPVWJECEROD-LJQANCHMSA-N 444.501 4.675 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC[C@H](C)C1 1588445544 OVSJZJNYRYAFJY-IRXDYDNUSA-N 431.378 4.515 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1588453059 YYNMMCDUPFYAMF-XMSQKQJNSA-N 445.007 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1589662800 BSXLCFIKQFOURA-MOPGFXCFSA-N 433.641 4.915 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]2CCC[C@@H]21 1593630723 LMARPNJMBKLIAQ-QUCCMNQESA-N 429.609 4.738 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC(CC)CC1 1593722324 OUIMTWNAYLUZHA-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccsc2Br)CC1 1594229811 UTQBRFZQKMVERY-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)c1ccccc1 1594543484 ATNQFFZGXFSCSG-QPPBQGQZSA-N 432.616 4.639 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1594753121 XJIDVFQZQFDRNL-FQEVSTJZSA-N 431.625 4.813 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1594986119 PSVJIBBVNHWWCJ-BGYRXZFFSA-N 434.632 4.729 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCC(C)(C)C1)C1CC1 1595065845 ZJYKTHLPKRUSOW-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1595161501 BUCSNGCGSCXLEW-ROUUACIJSA-N 445.633 4.769 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)Cc2cccs2)C1 1595699895 ISMCOBZBIWZYCJ-WIYYLYMNSA-N 438.597 4.675 30 10 IJEE C[C@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)C[C@@H](C)O1 1612686961 GMYUCLRPAOEFEN-OPVJXMOQSA-N 435.597 4.761 30 10 IJEE CCCCOc1ccc(/C=C2/S/C(=N/c3ccccc3C(=O)O)N(C)C2=O)cc1OC 1614236216 BQNQASXPNFVWQC-TWGQILOBSA-N 440.521 4.806 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 1618480025 FGLVJKMOPHCWSF-DCSNJQJVSA-N 432.564 4.929 30 10 IJEE C=CC1(CC(=O)N(CCc2ccc(F)cc2)C2CCCC2)CN(C(=O)OC(C)(C)C)C1 1622879232 XSAKVKDLVVXSFA-UHFFFAOYSA-N 430.564 4.953 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1626127194 BGEZYOZKTGZJFB-NXHRZFHOSA-N 426.479 4.650 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N 1637677371 APEPMGJTCUWGLO-UHFFFAOYSA-N 444.644 4.549 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 1648427439 RMPWEYZYFSJSJQ-UHFFFAOYSA-N 430.548 4.919 30 10 IJEE C=CCn1c(SCc2ccc([N+](=O)[O-])c(OCC)c2)nc2cc(Cl)ccc2c1=O 1651556202 YWTBUYWRHHZVFN-UHFFFAOYSA-N 431.901 4.835 30 10 IJEE CC(C)Oc1ccc(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1Cl 1654990328 DIEVXJVIVKNIQK-UHFFFAOYSA-N 435.959 4.711 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@H]1CCN(c2ccc(Br)cc2)C1 1656916488 CYIWCJWECVJQCJ-MRXNPFEDSA-N 433.777 4.731 30 10 IJEE C[C@@H]1C[C@@H](CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCN1C(=O)OC(C)(C)C 1657957198 AVIGIGQNHMLTCF-DXIQSLLYSA-N 447.023 4.558 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC(Nc3ccccn3)CC2)cc1 1658504931 CPMDYAMTJLERHE-UHFFFAOYSA-N 441.535 4.835 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)C(C)(C)C 1658830770 RARHASKVOMYWES-DNVCBOLYSA-N 429.952 4.522 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1659600552 KMFCRNOLGFCJHM-INIZCTEOSA-N 436.314 4.935 30 10 IJEE Cc1cc(S(=O)(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)ccc1C#N 1661512607 CRLFIFXGUVELFK-LJQANCHMSA-N 437.334 4.588 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1 1670797135 LGYAKNUBAPJQLG-LJQANCHMSA-N 436.618 4.509 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3Oc3cccc(F)c3)CC2)c(F)c1 1673727086 HNEZVUITWOOSDE-UHFFFAOYSA-N 434.446 4.983 30 10 IJEE C=CCc1cc(CNC(=O)Nc2c(F)ccc(Br)c2F)cc(OC)c1OC 1675153187 WEPFVJLXUDCYNZ-UHFFFAOYSA-N 441.272 4.795 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccccc1OC)N1CCCC1)[C@H]1CCCc2ccccc21 1675179649 AEALOERICHRRKH-LOSJGSFVSA-N 431.580 4.555 30 10 IJEE C=CCc1cc(CNC(=O)NCCSc2c(C)[nH]c3ccccc23)cc(OC)c1OC 1677641674 QKFWZRAARLKBEK-UHFFFAOYSA-N 439.581 4.814 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1678420725 KYGSKUFOPAQFIU-PBHICJAKSA-N 440.357 4.681 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1ccc(F)c(F)c1 1678842543 JHTGEDCISQUJEB-UHFFFAOYSA-N 443.263 4.643 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 1680633957 VJTZDZZVLQBKSN-KXBFYZLASA-N 441.494 4.879 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1)c1ccc(F)cc1 1682345540 WVIRDNFRZKVVHG-BJKOFHAPSA-N 436.527 4.659 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1)c1ccccc1 1683507281 BJFCOEJPZKCSEP-LJQANCHMSA-N 425.326 4.650 30 10 IJEE C#C[C@@H](NC(=O)N1CC(Cc2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1F 1683516671 GHFLVXHRLVQXST-LJQANCHMSA-N 440.824 4.936 30 10 IJEE C#C[C@@H](NC(=O)NC(C)(C)COc1ncccc1C(F)(F)F)c1ccc(Cl)cc1 1683675951 IZVZXWDFFRJZFT-MRXNPFEDSA-N 425.838 4.585 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@](C)(OC)C1 1689880238 WKHOMBVRFCLIJX-LJQANCHMSA-N 437.407 4.578 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCCc1ccccc1 1689914784 DAPCLKBJCPGMAT-UHFFFAOYSA-N 440.389 4.529 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCSCC(F)(F)F 1690034395 GTEBTWWNBXZRJJ-UHFFFAOYSA-N 446.542 4.507 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCn1ccnc1C 1690063695 MHXQFEGBYNGAKU-GOSISDBHSA-N 436.629 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1cc(C(CC)CC)no1 1690067838 MSTLLVHMBGDDNN-UHFFFAOYSA-N 428.540 4.893 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 1690247378 ABINPEJHQQJHTI-XUZZJYLKSA-N 438.616 4.938 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690247814 GQUBVDDKCHPYHV-PIATZUFCSA-N 433.600 4.591 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1690285933 QSMSVEKJJHAULO-SFTDATJTSA-N 430.980 4.699 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1690303128 SIFMIMBNXMEVTI-MRXNPFEDSA-N 448.409 4.645 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C2CC(C(C)(C)C)C2)CC1 1690367546 SOHIIRMIZSAWAQ-UHFFFAOYSA-N 428.602 4.502 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nc(C(C)(C)C)cs2)CC1 1690382242 HJFJGXCQAFOQLG-UHFFFAOYSA-N 448.596 4.687 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690492163 OPVHDUZSVRNIAN-KXBFYZLASA-N 439.387 4.991 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1690519451 JSHQEBDDZGDYSZ-UGKGYDQZSA-N 445.405 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@H]1C(=C)C 1690589953 HJTSHNBOWIUAHL-PXNSSMCTSA-N 443.389 4.867 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)s1 1690602614 SWMYXHFAWQLXLP-UHFFFAOYSA-N 438.988 4.677 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2oncc2C1 1690737479 NQCHFGOWGFLFPL-UHFFFAOYSA-N 436.368 4.722 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)c1nccs1 1692343343 CBWCNCLONXEONZ-GOSISDBHSA-N 433.585 4.843 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1693951574 HVDCXAPAJLOJEP-GCKMJXCFSA-N 436.025 4.759 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1695087116 ARICOJLDQCFDSF-XYURVEJXSA-N 437.588 4.559 30 10 IJEE CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)c1ccco1 1695668733 HURAQTFTOIWFIW-HXUWFJFHSA-N 426.609 4.673 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1705522990 PWKLYZHMILDXGA-IVAOSVALSA-N 430.637 4.640 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccc(C)s1 1705574938 SOTOLRFSNOASNJ-UHFFFAOYSA-N 443.601 4.868 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](C1CCCCC1)N(C)C 1705677212 GEGYNZTYZHTMBB-RPLLCQBOSA-N 449.643 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H]1C 1705695012 GYWYOBRJJYKPMS-DWXLDPMZSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(CC)C1CCCC1 1705708587 DWTRAYDNVRPVHJ-YADARESESA-N 440.588 4.616 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705733552 PWDPLMCEVDLNEL-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 1705740517 NSIXBGBSKVDCAA-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1705764564 DPACBBKGZXTAST-JOCHJYFZSA-N 446.523 4.672 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cnn(C)c2C)CC1 1705785325 DGPZCWCWVNOYCW-UHFFFAOYSA-N 443.020 4.716 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@]1(C)OCCc2sccc21 1705799493 YIJHFQFTJKOADW-JPYJTQIMSA-N 430.618 4.514 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)c(COC)c1 1705865707 SHZBTCPDVGIEAO-UHFFFAOYSA-N 437.544 4.861 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC(F)(F)Br 1705877886 PLUBXTJGNFLYEA-UHFFFAOYSA-N 448.315 4.563 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2[C@@H]2C[C@H]2CCC)C1 1705917568 VTWLEMCAFYQLDL-AYOQOUSVSA-N 431.378 4.850 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1712882855 HIAAXNXNJLDCJB-IEBWSBKVSA-N 446.020 4.515 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC=C(Br)C1 1722309367 XKSHFEMFOKFMHK-MRXNPFEDSA-N 447.352 4.850 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCCCC1 1722421876 OWMIAAMQBKPHCP-UHFFFAOYSA-N 439.623 4.910 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722482945 FKQPYYHKRZMIOJ-PBHICJAKSA-N 437.769 4.512 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCC(F)(F)F 1722496966 PKZSSHFLZXYHJK-WMLDXEAASA-N 428.886 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C 1722502313 IDWRAOLJSNOTLT-QPPBQGQZSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1722502402 IPECXPSWAWXWON-NMMYMHLASA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(C)(F)F)c1 1722513289 UWOWAURKPARZLE-UHFFFAOYSA-N 443.498 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@@H](c1cccs1)N1CCOCC1 1722515409 RBKWDWCAAVIREO-NRFANRHFSA-N 443.661 4.548 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722555939 IDSDDWCOGBHNNZ-QAPCUYQASA-N 445.753 4.769 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2Br)CC1 1722561929 DYUAJGJRUGJFRE-UHFFFAOYSA-N 440.370 4.845 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CSCCS2)CC1 1722575654 QQOALXLYDJDPMP-MRXNPFEDSA-N 439.025 4.989 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCC(F)(F)F)c1ccccc1 1722597746 WGMRCTOGIXOOHJ-FQEVSTJZSA-N 446.521 4.888 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1)C(C)C 1722665455 MNECLJIFKDSUOG-OTNCWRBYSA-N 446.643 4.998 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCC1(C)C 1740633353 DWIDWXGDNZJUDQ-GOSISDBHSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1740670467 OJZUPXDLRVZTBW-WOJBJXKFSA-N 442.051 4.738 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCOc1ncccc1Cl 1740730393 ZGFRDBFKAFLHDJ-JOCHJYFZSA-N 442.350 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)N(C)C1CC1 1740733454 DUZLTLWUUZBYSL-KDYSTLNUSA-N 449.643 4.764 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(O)cc2C1 1740859017 FAZXYEZKTZGFSM-UHFFFAOYSA-N 442.361 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1 1740926365 ZZVQVZKPTIYREZ-INIZCTEOSA-N 436.423 4.510 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCC2)C1 1740996383 NFPFHDOBQORQRQ-QGZVFWFLSA-N 449.020 4.750 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740998375 LICYLXBGHSXGAZ-FQEVSTJZSA-N 430.618 4.657 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCSC(F)(F)F 1748640341 TVXNQYCVZHNAQZ-ZBFHGGJFSA-N 426.508 4.746 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)N(CC)CC 1748655656 DEIOJYGSIWAIGH-RXVVDRJESA-N 436.991 4.535 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1749103542 AYNWVNYTAFEMFE-UHFFFAOYSA-N 448.365 4.853 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1scnc1C 1749142378 YYTZLEBJYQZUJS-UHFFFAOYSA-N 438.601 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCCCCC1=O 1749149293 YSBGDWJGTVPLPN-UHFFFAOYSA-N 446.599 4.688 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1749211273 WMWWJESCFASWBS-ROUUACIJSA-N 447.649 4.716 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749281928 PLILTPZRYWCURJ-UKRRQHHQSA-N 444.885 4.643 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC2(CCCC2)C1 1749448255 WULIPWTXCHTSEI-UHFFFAOYSA-N 425.533 4.607 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1749478703 IMEVHZORTODXQQ-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1sccc1C 1749507248 WIOHYNIRBHHPDA-KRWDZBQOSA-N 431.606 4.585 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1749613716 GLLKCOVUCWGWRA-FPOVZHCZSA-N 437.632 4.950 30 10 IJEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)CCCCC)CC1 1760152464 MZEQAICWDOPJGZ-UHFFFAOYSA-N 446.599 4.505 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC1(COC)CCC1 1760244026 WEZKPQAHFWZLAW-UHFFFAOYSA-N 438.572 4.526 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 1760319651 OQSAJFQJXYDJII-HNAYVOBHSA-N 436.453 4.764 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cscn1 1760321530 HSEJZKWCFAOIIC-LAUBAEHRSA-N 444.004 4.596 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ncc(Cl)n1C 1760432583 QESARCWICWPZLI-UHFFFAOYSA-N 436.894 4.536 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1760437625 JHZDEIXWFNWEAZ-HSZRJFAPSA-N 435.547 4.704 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](c1ccco1)N1CCCCC1 1760467126 SWLOGKOZBOCTQL-HSZRJFAPSA-N 449.599 4.916 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1760480357 SHJJSCJTERRORW-QHCPKHFHSA-N 434.632 4.661 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)c2cccc(F)c2)C1 1760545230 PWNMQRUKZHKPPG-OAQYLSRUSA-N 435.547 4.547 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCCN(c2ccccc2)CC1 1760567899 PWEZIVLXLMFMRN-UHFFFAOYSA-N 439.654 4.566 30 10 IJEE CC1(C)CC(Cn2c(N3CCCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1 1761551540 DYTDFEYESNNFJL-UHFFFAOYSA-N 434.632 4.596 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1 1768989279 AJNIDVNNCDITAL-SFHVURJKSA-N 443.642 4.605 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)NCc1ccc(OC(=O)c2cccc(C#N)c2)cc1 1859030937 CKNLCHXPCSUTPX-NTCAYCPXSA-N 440.499 4.896 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(Cl)c1 1862417518 SSLYIMYLPYIRGS-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC)cc1 1862447164 JYBIZXMGVGGXGD-NRFANRHFSA-N 443.927 4.744 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 1862452130 VNDJYIXDTISWTM-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)c1 1862456478 SFJCBXKWRYMMFT-FQEVSTJZSA-N 427.378 4.784 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)cc1O 1862549570 RSHXASNWCGJXIH-DEOSSOPVSA-N 449.547 4.904 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862594206 BXQCGYZLIYORLV-HSZRJFAPSA-N 442.446 4.791 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1ccccc1F 1862625908 QFHVLXKXHBHXIG-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1nc2ccccc2[nH]1 1862673996 JAPPBMXBRPWFNF-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 1862688495 XBIHEJGSLRCNOW-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)c1 1862698134 AMTWIUSZCJURBJ-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCCOc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862927188 LKYJRGZZGVSQHN-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccs3)C2=O)cc1 1863363380 XQPAUEXXWOAFKQ-UHFFFAOYSA-N 443.528 4.799 30 10 IJEE CC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866779504 FNRXYUPWXIXEJA-BJKOFHAPSA-N 447.485 4.892 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)c(C)c1 1867091435 NCPIBDTYALDBQA-AREMUKBSSA-N 439.515 4.634 30 10 IJEE C=CCN(CC=C)c1cc(N(CCC)CCC(=O)OCC)nc(-c2cccc(OC)c2)n1 1867990304 JUKBYPGSGIGOSN-UHFFFAOYSA-N 438.572 4.500 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2C(F)(F)F)n(-c2ccccc2)n1 1870000749 WRDPKCHIKIWWHP-UHFFFAOYSA-N 427.430 4.717 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870387675 OPSKJUVQILGJID-UHFFFAOYSA-N 444.575 4.622 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1ccc(CC)cc1 1871167571 BADUNCNFBMOJGM-UHFFFAOYSA-N 445.563 4.789 30 10 IJEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 1871287060 MSQOLVWWRIRJMP-UHFFFAOYSA-N 449.919 4.935 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CCCCN(C)C)CO2 1871349317 UUXXYYRFDPKXRK-BKUYFWCQSA-N 426.944 4.758 30 10 IJEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871374702 WUWDXAPDIKSMJL-NHDPSOOVSA-N 433.391 4.807 30 10 IJEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871400765 KJYLTUVLQMGMNG-SQKQDPHPSA-N 444.867 4.542 30 10 IJEE Cc1c(OCCN2CCOCC2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871449734 UWMRCNZADHIXAA-NDENLUEZSA-N 434.319 4.629 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OC[C@H]3CCCO3)c2C)C1=O 1871450414 WMJQVOVLGMWFMS-IWEBCOIVSA-N 445.309 4.940 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)ccc3C2=O)cc1 1871458548 BVICWELAPPFWKQ-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 1871813528 ISXDMLLAFXIQQV-INIZCTEOSA-N 446.516 4.751 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872108179 ZEYKNKAKLHBCHR-UWJYYQICSA-N 434.627 4.931 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872290362 KQHAQBXQPSYOQA-RDPSFJRHSA-N 442.625 4.858 30 10 IJEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872767943 FLRZHZDJFXIOFE-QGZVFWFLSA-N 438.505 4.725 30 10 IJEE C=CCn1c(C(=O)Nc2cc(NC(C)=O)ccc2C)cc2c(NCCCCC)ncnc21 1873622709 KPOXPGFGKXOAGQ-UHFFFAOYSA-N 434.544 4.739 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874279606 MSQPZDWEGWRQSP-BUVRLJJBSA-N 440.956 4.648 30 10 IJEE CCSc1nnc(Cc2ccccc2F)n1/N=C/c1cc(Br)ccc1F 1874375223 LYIPNGUJSBIPHA-SSDVNMTOSA-N 437.313 4.904 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(C)c2)o1 1874481929 PVZMUZUNUCVZCL-YDZHTSKRSA-N 426.542 4.828 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)c1 1874489118 ASPCTEGEHVKVDI-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1)Nc1ccccc1 1874493593 VIUOVDMXDCZIEH-YDZHTSKRSA-N 425.945 4.812 30 10 IJEE Oc1nc(CSc2nnc(C3CCC3)n2/N=C/c2ccccc2F)nc2ccccc12 1874497199 ZWGZREKITPDPMP-WYMPLXKRSA-N 434.500 4.508 30 10 IJEE CCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1c(Cl)cccc1Cl 1874526037 DQVKAQCJJLMISK-SSDVNMTOSA-N 440.400 4.571 30 10 IJEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccc(O)c(Cl)c2)c(C(C)(C)C)c1 1874569490 ZODOKUVMIRAMPS-FOKLQQMPSA-N 430.961 4.993 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cccc1OC 1874571625 XNOIFXSAQMAQGT-OUKQBFOZSA-N 440.496 4.527 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)cc1OC 1874580588 VOXBJOMOUUCRTA-BQYQJAHWSA-N 433.298 4.522 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCCO)cc1Cl 1874591088 RHUXPOKOKNAZCM-ZZXKWVIFSA-N 425.706 4.768 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)NCc1ccco1 1874613722 JYKSDXUYRWVIIT-OUKQBFOZSA-N 431.488 4.608 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1cccnc1 1875119648 FIYGTKJHIBGKBR-OUKQBFOZSA-N 429.472 4.943 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)cc2)c(OC)c1OC 1875193930 GNRNFRCWGDQESK-RVDMUPIBSA-N 448.471 4.593 30 10 IJEE C=C(COCc1ccccc1)[C@H](NN)c1scc(Br)c1Br 1922094071 IIBCTJAMNSECPX-AWEZNQCLSA-N 432.181 4.551 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)[C@@H](CN)CCC12CCC2 1924924642 FOTXFPBVHBIONH-VFNWGFHPSA-N 434.378 4.992 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Cc2cc(Cl)ccc2I)C1 1980248206 LQEWFXHSTZEXPB-KRWDZBQOSA-N 446.716 4.638 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC(C#N)(N(C(=O)OC(C)(C)C)C2CC2)C1 2012873139 ITSPIZCPLKRLSH-ROUUACIJSA-N 431.577 4.990 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2020791916 ZCOOXZPHPLNDAX-IRXDYDNUSA-N 437.487 4.965 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)CC(F)(F)F 2034721158 QBDJDUNQJUDKSP-UHFFFAOYSA-N 435.295 4.559 30 10 IJEE CSc1ccc(C=CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 2040426533 WFDYHHJOUHCPNL-UHFFFAOYSA-N 426.563 4.806 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)cc1 2067354642 NOWJMDCFGOQFLJ-JOCHJYFZSA-N 444.536 4.997 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(F)c2)C2(C)CC2)c(I)c1/C=N/O 2079088658 GUZBBEGFKGFODN-PPAWOMOGSA-N 441.288 4.695 30 10 IJEE NC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1Cl 2079972055 PONRKKNXHPHLBA-LLVKDONJSA-N 429.723 4.812 30 10 IJEE Cc1cc(O)c([C@@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1C 2080012930 WGMCBXFNUBBDND-GFCCVEGCSA-N 441.313 4.525 30 10 IJEE CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(Br)c(C#N)c1 2180921137 HSPUDUUBDARMTN-AWEZNQCLSA-N 438.366 4.980 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(Br)cnn2CCC)C1 2183006013 FVEZWMSXDFKWRB-KRWDZBQOSA-N 441.414 4.567 30 10 IJEE N[C@@H](C#Cc1cccc(Cl)c1)c1ccc(I)c(Br)c1 2230991767 YACKJHLBIZTNII-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE N#Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc1Br 2235460889 FAJAIEBLWNQFJQ-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241478786 LHZUUXXAIYOPAY-UHFFFAOYSA-N 444.384 4.650 30 10 IJEE CN[C@@H](C#Cc1ccccc1Cl)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2252755542 ZTWPJIUWIRPEPK-FCHUYYIVSA-N 442.987 4.780 30 10 IJEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255534127 CKLBQKHTRQCPAB-VAMGGRTRSA-N 426.410 4.513 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)c1 2268716407 NJUSPQSGXIQDHE-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C=CC[C@]1(COc2ncc(Br)c(C)n2)CCCCN1C(=O)OC(C)(C)C 2272233545 DYKLIDUAEUWEHO-LJQANCHMSA-N 426.355 4.662 30 10 IJEE C=CCCC1([C@@H](NCC)c2c(F)cncc2Br)CN(C(=O)OC(C)(C)C)C1 2281041268 MRGKNCRJWMKCOO-KRWDZBQOSA-N 442.373 4.837 30 10 IJEE O=C1C[C@@H](c2cc3ccccc3nc2O)c2c(ccc3c2OC(=Cc2ccco2)C3=O)O1 2297596049 JVFWQAKHJQNXKZ-INIZCTEOSA-N 425.396 4.591 30 10 IJEE C=CC1(C[S@@](=N)(=O)c2cc(I)ccc2Br)CCC1 2316473213 UTJOVAHEAFPBTG-GOSISDBHSA-N 440.144 4.816 30 10 IJEE CC[C@@](C)(COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317344820 PRQNKVPVZKTIIH-QHCPKHFHSA-N 432.370 4.798 30 10 IJEE Sc1nnc(COCc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2322016065 IHCPEBZTTWLFEX-UHFFFAOYSA-N 430.533 4.745 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCOc2ccccc2)cc1OC 2322024067 WBNYNXILWVWRKE-UHFFFAOYSA-N 440.569 4.648 30 10 IJEE CCn1cc(C=C2Oc3cc(OC(=O)[C@H]4CCCO4)cc(C)c3C2=O)c2cc(OC)ccc21 2322927140 NEACEPOMLXFYEB-OAQYLSRUSA-N 447.487 4.679 30 10 IJEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)cc1OC 2323069327 ZTMYYUYKTSRDHK-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE Cc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)ccc1[N+](=O)[O-] 2323273851 JDVFYSNWOKQYII-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323683693 YNIUQUQEWKIBJX-UHFFFAOYSA-N 445.427 4.894 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OCCO)c(OC)c2)cc1OCCC 2323744635 UUPDTVYBJDGSER-UHFFFAOYSA-N 444.524 4.549 30 10 IJEE CCOC(=O)C1CCN(Cc2c(O)cc(C)c3c2OC(=CC=Cc2ccccc2)C3=O)CC1 2324023607 FWZFADURPHBVCV-UHFFFAOYSA-N 447.531 4.648 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc1[N+](=O)[O-] 2326296238 DGFTYGJUFSWNEJ-UHFFFAOYSA-N 425.514 4.630 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C(=O)OC)cc2)cc1 2326784169 WIKFOERWQFGABB-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)ccc1O 2330675252 ZMSZWXXXZFJHLL-UHFFFAOYSA-N 430.533 4.876 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)[C@H]1CCCO1 2330893240 WWACCOAUVHKKIZ-HXUWFJFHSA-N 445.309 4.828 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cccc(F)c1 2331319745 FNTZJTBDOLGRGD-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE COCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(OC(C)C)c(OC)c1 2331554997 DFXJEXVASWQPGG-UHFFFAOYSA-N 440.569 4.703 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)cc2)c1 2331673881 ZGMXPOJUEODGAT-UHFFFAOYSA-N 432.476 4.698 30 10 IJEE Cc1ccc(-n2c(SCC(=O)NC3(C#N)CCCC3)nnc2-c2ccccc2)cc1C 10212495 NQKKZVRGGYLBSJ-UHFFFAOYSA-N 431.565 4.596 30 10 IJEE Cc1ccc(CSc2nnc(N/N=C/c3ccccc3OCc3ccccc3)n2N)cc1 21320882 GYMDHTVISYOLIR-CVKSISIWSA-N 444.564 4.618 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccoc1C 23519482 FAXBGFNHUDHCCC-HNNXBMFYSA-N 426.567 4.652 30 10 IJEE Cc1nc(-c2cccs2)ccc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 28380030 GLSFKYFLBXCMDT-CYBMUJFWSA-N 437.546 4.724 30 10 IJEE C=CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(Cl)c1 29826363 AEMBXOIZFYJPDV-UHFFFAOYSA-N 433.364 4.944 30 10 IJEE Cc1nn(C)c(C)c1CCN/C(=N/C(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1 32973620 VPBJACPLSXIAGI-UHFFFAOYSA-N 444.366 4.784 30 10 IJEE COc1ccc(NS(=O)(=O)c2ccc(/C(C)=N\Nc3ccc4ccccc4n3)cc2)cc1 35362040 QULVZILFAOMVSN-ONUIUJJFSA-N 446.532 4.880 30 10 IJEE Cc1ccc2c(Cl)c(C(=O)c3c(C)c(C#N)c(=O)n(Cc4cccnc4)c3O)sc2c1 38628257 TVQMNHMJBYVXMR-UHFFFAOYSA-N 449.919 4.585 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc5c(c4)OCO5)c3C)C2=O)cc1 41291321 XCRALPSTILBTQG-FMCGGJTJSA-N 444.439 4.958 30 10 IJEE Cc1ccc(/C=C2\Oc3c(CN4CCN(c5ccc(F)cc5)CC4)c(O)cc(C)c3C2=O)o1 41585562 LHFABGBEIUZXFM-UCQKPKSFSA-N 448.494 4.680 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)o2)[C@@H]1c1cccc(Oc2ccccc2)c1 103089860 FDQVPQQGDHXURA-FEYWKWKCSA-N 447.487 4.839 30 10 IJEE O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Br)cc2)/C1=C(/O)c1ccccc1 103090615 OQMQIDVQZUMSDY-HQMFNGAOSA-N 438.277 4.664 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OC(C)C)c1 170153660 YGCDBEFCYVBNEY-HJPURHCSSA-N 435.520 4.786 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccccn1 170180899 SQWNTBTWGKYFRY-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccnc2)c1 170184371 MTNNLOQYFNHUGD-NRFANRHFSA-N 436.414 4.541 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccncc1 170206337 SBSHJCWJIPODLY-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)c1 170257720 LUPVONNOZDUUNK-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(O)/C=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1 229205755 OXAJWMHQGZRGPP-IRHBEVFWSA-N 438.955 4.660 30 10 IJEE CCCCCSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(CC)CC)[nH]1 253569136 MADQCMDEQSXFBD-XQNSMLJCSA-N 440.621 4.873 30 10 IJEE COc1ccc2ccc(OC)c(/C=C3/SC(=Nc4cccc(C(=O)O)c4)N(C)C3=O)c2c1 254751426 DIVNGQWQAKVBII-QJDZWDSLSA-N 448.500 4.789 30 10 IJEE N#CCCn1cc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 437424831 KGQNOQGFHIMSES-UAPYVXQJSA-N 449.898 4.701 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(C1)OCc1ccccc12 508895929 QFVYGBYWYKAUEV-JOCHJYFZSA-N 437.341 4.529 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC(C)=O)cc1 526817807 ZGUBAINUKRQRKJ-KSEXSDGBSA-N 432.908 4.733 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)Cc3ccc(Cl)c(Cl)c3)c2C#N)C1 526858240 KZVQRHCEBHNXOX-DQQVXTMASA-N 441.405 4.939 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2ccc(F)cc2)CC1 549275248 YNEFMWJPCWEUMD-ZEQRLZLVSA-N 447.558 4.565 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](n2ncc3ccccc32)C1 559000347 JRHGSRIVLPSNIA-NRFANRHFSA-N 435.535 4.871 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 559008269 VBNNGVUWFSAQOW-HYBUGGRVSA-N 427.552 4.824 30 10 IJEE CCOC(=O)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 586213154 TXOONUFRFDMSME-UHFFFAOYSA-N 448.544 4.747 30 10 IJEE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NCc2ccc(C#N)cc2F)cc1 609254279 HESMQNYDBYZQPF-UHFFFAOYSA-N 433.483 4.627 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 733201520 LGTWCBKGNZKUBU-GOSISDBHSA-N 447.894 4.602 30 10 IJEE Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2oc3ccccc3c2C)cc1 734296625 SGWUESRFPIVIHD-JOCHJYFZSA-N 447.560 4.850 30 10 IJEE Cn1cc([C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccc(F)cc2)cn1 773315610 GNTPDAJELRKSCG-QHCPKHFHSA-N 445.523 4.748 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 778297378 IIVZMRAXCCRBLP-SCLBCKFNSA-N 448.489 4.638 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)sc1Br 804457320 SKIKWCOLKFICPP-LBPRGKRZSA-N 427.161 4.638 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](c2ccc(C)cc2)C[C@@H]1C 809895508 WFFGGHNGHJDYBX-NZQKXSOJSA-N 445.567 4.581 30 10 IJEE CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Cl)cc1 1083918151 GUJUJILPKWGXOS-UHFFFAOYSA-N 438.937 4.505 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1)c1ccccc1 1083978087 WQRDFFOVMUAIEV-UHFFFAOYSA-N 448.474 4.781 30 10 IJEE CC(=NNc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1ccc(F)cc1 1084169233 VSJFYVIYARDWSB-UHFFFAOYSA-N 443.895 4.776 30 10 IJEE Clc1cccc(C=NNc2nc(SCc3nnc(-c4ccccc4)o3)n[nH]2)c1Cl 1084180407 RIGQMXBYVBXPJJ-UHFFFAOYSA-N 446.323 4.900 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)c1 1125289036 BKERLSIZLZXZCO-QHAWAJNXSA-N 425.326 4.636 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1127994992 REJBEWLOGZULCT-PTNGSMBKSA-N 440.425 4.577 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1 1129841348 DRXLNQJPRRYQIU-UHFFFAOYSA-N 436.851 4.960 30 10 IJEE C#Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(Cl)c1 1134652945 PUXSAOUJIQXWBC-OXJNMPFZSA-N 434.845 4.888 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1136603695 HXKLMLXHWYBLCW-UHFFFAOYSA-N 434.337 4.826 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2 1136808927 YVOONXKCGJSAEX-UHFFFAOYSA-N 447.560 4.769 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 1136957059 KHDLRBBIDWAFML-MJGOQNOKSA-N 435.996 4.675 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)c1 1151179673 VQBFMAXFTOBFII-SFHVURJKSA-N 435.520 4.781 30 10 IJEE CC#CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1152690110 UESNBSAEXVFXMD-UHFFFAOYSA-N 445.375 4.863 30 10 IJEE Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1161046223 HUZOYPBPDSJILN-HXUWFJFHSA-N 432.549 4.773 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1161623833 HAZNCIYOKYUIEM-INIZCTEOSA-N 448.972 4.578 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CCc1ccccc1Br 1184577518 KECQNQVASZAGSZ-UHFFFAOYSA-N 434.808 4.725 30 10 IJEE CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 1194664665 HWXXVXBDVVSZRW-HSZRJFAPSA-N 449.986 4.994 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(C)(N2CCCCC2)CC1 1206203070 MFURQKUMRTYYBH-UHFFFAOYSA-N 436.394 4.886 30 10 IJEE C#CCN(C(=O)Nc1ccc(F)cc1OCC)[C@@H]1CCOc2ccc(Br)cc21 1214715423 YPPSIRLUEDWKAY-GOSISDBHSA-N 447.304 4.978 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2nc3c(s2)C[C@H](C(C)C)CC3)cc1C#N 1220327492 GSSUSZBDVRDLKS-CYBMUJFWSA-N 427.530 4.988 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)COc1ccc(F)cc1 1224269051 LRJVKDQZVHAPPF-CQSZACIVSA-N 439.300 4.892 30 10 IJEE C=CC[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)C1 1230818052 XDSBICPUXAFNLA-DUXKGJEZSA-N 431.552 4.526 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 1231206618 NSCOKKMUOOTGEX-OFNKIYASSA-N 429.967 4.912 30 10 IJEE C=CCc1cc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc(OC)c1OC 1264831440 YZLPZUGJDDLJAQ-UHFFFAOYSA-N 435.520 4.753 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 1264906083 ZMXVGEWYXXXHHS-KGLIPLIRSA-N 443.357 4.652 30 10 IJEE C#C[C@@H](NC(=O)CCc1cc(Br)c(Br)s1)c1ccc(F)cc1 1275432441 VPIGRPRXPIQBDV-CQSZACIVSA-N 445.151 4.836 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCC1(COC)CCCC1 1286453421 AAVSZMHJMDDBGP-UHFFFAOYSA-N 447.558 4.716 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1286454464 XXCIDBVJQFZDLK-XLIONFOSSA-N 444.526 4.712 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286538912 UAGXJTPCUSEHGC-WMZOPIPTSA-N 435.366 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCCCCC1 1286568832 YOUBGRZUUUPMGY-XXBNENTESA-N 428.552 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](C)C1 1286574285 XCRKUWDPVVAHPA-VQTJNVASSA-N 448.615 4.904 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286584259 BPQNQWZCVNAGHT-ROUUACIJSA-N 436.629 4.872 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C)cc2)CC1 1286689085 IYWWHTQBXVJQBI-UHFFFAOYSA-N 436.629 4.625 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@](C)(CC)C1 1286704490 VWZPWMKLNAIODY-OAQYLSRUSA-N 449.393 4.591 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@H]1C)C1CC1 1286732268 OSWOJNAEZIRYEY-DGGJZMOXSA-N 430.980 4.777 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(OCC(F)(F)F)c1)C1CC1 1286734571 DBXRUXFZWZAWFN-UHFFFAOYSA-N 432.446 4.991 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCC(C)(F)F)C1CC1 1286734934 ZLEDITMIPFMOSD-UHFFFAOYSA-N 441.320 4.916 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCN1CC 1286748631 YGFKUDVMNVHFSW-QFIPXVFZSA-N 446.624 4.945 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1(OCC)CCCC1 1286748975 HJAFZNXRBSQQGD-LJQANCHMSA-N 430.618 4.776 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1CC1(c2ccc(F)cc2)CCOCC1 1286758243 HKNJHDGVDKUVLZ-UHFFFAOYSA-N 426.580 4.933 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1(OC)CCCC1 1286763523 LBJCAFZLZANRPP-UHFFFAOYSA-N 431.540 4.604 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)C 1290068840 XTIAPWNGAVTVDQ-JOCHJYFZSA-N 426.944 4.809 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 1292456858 YHKBZKMZTSHSRU-FQEVSTJZSA-N 431.964 4.910 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCO[C@H]1C(C)C 1300275362 UEVGKKLPRHHTGE-KZDDHRSZSA-N 438.616 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCSc1ccccc1 1300275901 BTZRMDSDTDTVGK-HNNXBMFYSA-N 444.402 4.676 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cn2ccc(C)cc2n1 1300284124 YOHJCHFIVUMYGE-IBGZPJMESA-N 426.568 4.705 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CC#N)CC1 1300348316 MKMQWTFYEOENHX-UHFFFAOYSA-N 444.352 4.780 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1300366601 NPLUGIXFVFTHRU-HSZRJFAPSA-N 448.533 4.511 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1300419634 PYRFHKHZYZQMNI-RTWAWAEBSA-N 443.636 4.554 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1CSC)c1ccccc1 1301010341 VDLFSJVEWHWVRQ-FQEVSTJZSA-N 425.627 4.679 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(C)cccc2C1 1301018431 CLLGZHKWAVMFSF-UHFFFAOYSA-N 446.780 4.670 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nccs2)C1 1301018497 DOFANOABUORFGP-ZWKOTPCHSA-N 429.977 4.607 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2ccnc(C(F)(F)F)c2)CC1 1301119278 CGKOXCQSCMUKJB-UHFFFAOYSA-N 431.437 4.949 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2ccnn2)CC1 1301202403 IUIXQBXGWRBKEU-OAQYLSRUSA-N 449.603 4.509 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1301258869 CQZKSKFUGFHDKE-UGKGYDQZSA-N 428.552 4.748 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCC1CCC(OC)CC1 1301341973 QNDDXCQBGGFHNV-VZYOYLOZSA-N 449.599 4.789 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](OCCC)CC1 1301535875 PJVGLDMTLGUQNE-FYYLOGMGSA-N 440.588 4.528 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(F)(F)F)CC1 1301622481 GNDFHVCYOZSBEP-IAGOWNOFSA-N 446.583 4.895 30 10 IJEE CN(CCC#N)CC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 1307509145 AMTAGEGNCNHJIW-JCIKJAKISA-N 448.517 4.933 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)C1 1316422295 GYICUKYLZONWKT-KNQAVFIVSA-N 427.643 4.824 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2CC(=C)C)C1 1344728726 HECOZUOPLVIFFO-QFIPXVFZSA-N 430.552 4.882 30 10 IJEE C=CCN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1nc(-c2ccccc2)cs1 1348497271 ORDMVGKESSHCER-WMZOPIPTSA-N 427.570 4.975 30 10 IJEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC2CCCC2)c1 1350183540 MQYWGDCLGVZRBC-UHFFFAOYSA-N 449.956 4.829 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1359118149 QNPFHNCQLLJSPL-RBUKOAKNSA-N 432.515 4.907 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1359166999 PUDACRKIQWOPOU-UHFFFAOYSA-N 429.540 4.950 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1359195919 UJRGGYNEPBSDLO-XMMPIXPASA-N 444.627 4.544 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1sc(C)nc1C 1359258964 IFEJTQIKPLHWQK-UHFFFAOYSA-N 430.581 4.578 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 1359307403 JJCCTVUEAPNOLY-WSTZPKSXSA-N 446.542 4.513 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1359865586 OFUJHUADOSJPSM-HSZRJFAPSA-N 431.964 4.672 30 10 IJEE Cc1ccsc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1360960281 HJULLWQJGYGMGE-UHFFFAOYSA-N 448.640 4.792 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 1361104961 ZSPWELXGSFCAFZ-GOSISDBHSA-N 434.948 4.969 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)C)C2)s1 1361249755 DNEOFSPZTXVTKU-NRFANRHFSA-N 448.640 4.944 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccc(OC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1435632540 OCWCEXREIFMUCH-VWLOTQADSA-N 430.589 4.868 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)C(F)(F)F)cc1 1436239601 QIFDRZRHIRKXFK-TZIWHRDSSA-N 439.437 4.644 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(Oc3cccc(Br)c3)ccn2)cc1 1436299105 DYQOUDFBSFNKDN-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(C)c(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C 1436713644 HGSGLRKDWQMRGN-FQEVSTJZSA-N 439.325 4.628 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 1448879924 BWZKMHQOAIKYCI-OAQYLSRUSA-N 449.364 4.675 30 10 IJEE C#CCN(CCCCCn1c(C)nc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1460778888 RQDKTMOQKBZJND-UHFFFAOYSA-N 438.616 4.850 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 1464389103 ZYDZHQPWDAJHLY-FUHWJXTLSA-N 436.622 4.563 30 10 IJEE CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H](CO)c1ccccc1 1465516087 AQYPOARITKEXJK-HSZRJFAPSA-N 433.483 4.864 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 1470124492 WHWWBSIZQHIFSD-QFIPXVFZSA-N 443.588 4.573 30 10 IJEE CN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1478476027 HBPAJMXEXDZNCS-IXFUEQBVSA-N 448.567 4.531 30 10 IJEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N(CCC#N)CC2CC2)C1 1493695885 HCHQSKFPFNUVGD-OALUTQOASA-N 441.023 4.849 30 10 IJEE COC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1504046046 BNWBJIXBIWPUCQ-ROUUACIJSA-N 429.540 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1507519209 YLQBMZKAHDBWPU-PSHVLCQKSA-N 445.007 4.981 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOC 1507700850 WALBJAVHWQLLTI-KRWDZBQOSA-N 438.572 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCN(C)C1CCCCC1 1507772891 VQOIURZLEGODKA-HHHXNRCGSA-N 449.643 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1507795595 DTXLJXWYDDBZKK-URHOCTSQSA-N 440.588 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 1507800143 ZFBKNEMWSHTNLI-HKUYNNGSSA-N 433.021 4.912 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1507828243 YIRDKLYYKBQCGZ-LEWJYISDSA-N 440.588 4.857 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(F)F)C1 1507838414 BUMMQTQJNMOLGV-MRXNPFEDSA-N 442.457 4.621 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC1CC1 1507841339 VIKIDUFLRLMDHX-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1507890055 XDKZYCFZCUFRBB-QFIPXVFZSA-N 436.629 4.565 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)c2nccs2)CC1 1507909421 FFLNQXDTLQMRLQ-INIZCTEOSA-N 427.549 4.659 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCNC(=O)C(C)C 1507939000 HEWVFFNUNPNLTJ-UHFFFAOYSA-N 446.020 4.988 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(NC(=O)CC(C)C)c1)C1CC1 1507994674 WVYBLGMLGDBZHS-QFIPXVFZSA-N 437.588 4.707 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 1520800804 CJMJIGKHPPJDQN-INIZCTEOSA-N 448.311 4.615 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(Br)ncc1Br)c1ccc(F)c(F)c1 1523651549 JMZYADASTLWEGB-HNNXBMFYSA-N 446.089 4.932 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCC1(C)C 1524690372 WRUJTQXXZQUHEJ-JOCHJYFZSA-N 426.582 4.719 30 10 IJEE CCCn1c(=O)n(CCC(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)c2ccccc21 1527162896 BYEBQAHOOJATLY-CVEARBPZSA-N 436.581 4.861 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 1529918509 NBZBFXQDPRKFBH-UHFFFAOYSA-N 436.511 4.668 30 10 IJEE C#CC[C@@]1(C(=O)N(CC)Cc2cccc(-c3ccncc3)c2)CCCN1C(=O)OC(C)(C)C 1531504263 QNIYDKNWZAPKMO-MHZLTWQESA-N 447.579 4.890 30 10 IJEE Cc1nc(CSc2ccc(C(=O)N3CCN(c4ccsc4C#N)CC3)cc2)cs1 1531977552 AKFJYATVZDQRAB-UHFFFAOYSA-N 440.619 4.639 30 10 IJEE C=C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)c1ccccc1 1532387951 QXGGWERIOCCFPF-PXNSSMCTSA-N 446.316 4.911 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nnn(-c3cccc(Cl)c3)c2CC)C(F)(F)F)cc1 1532569902 FJQHYTNZLOFEKM-LJQANCHMSA-N 433.817 4.925 30 10 IJEE C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1533188209 DTCBKQRGVBHGAT-GDBMZVCRSA-N 442.346 4.970 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)C1CCOCC1 1533500762 KWAYCRLDNIOWCF-OAQYLSRUSA-N 449.348 4.823 30 10 IJEE C=CCC[C@@H](C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1536294699 VQEHQBCAXBHHCP-UYAOXDASSA-N 427.342 4.569 30 10 IJEE C#CCN(C(=O)c1cccc(Br)c1)[C@@H]1CCOc2ccc(Br)cc21 1538198066 FGUNNBHWSAPXQD-QGZVFWFLSA-N 449.142 4.811 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc21 1538956249 MTDRENXPNRNEOQ-KKSFZXQISA-N 443.334 4.687 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC1(OC)CCCCC1 1539390588 RUPXNZTYDVVPNK-UHFFFAOYSA-N 447.558 4.777 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1539623745 OLNCCUDNWWTSFB-FXAWDEMLSA-N 448.489 4.634 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(C)C)C1 1539702029 XLKGCBRTHBZVBM-WOJBJXKFSA-N 431.625 4.841 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539712287 WRJJECFQYUTYJW-UHFFFAOYSA-N 432.616 4.759 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCC2(OC)CCC2)CC1 1539840334 RMOQVCIYGMKURE-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1539917171 CCUFKUCSKQLVIY-HOTGVXAUSA-N 439.560 4.529 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H](C)CN1CCCC1)C1CC1 1540102664 PDUVDQZVALZOID-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC(F)(F)C1 1540132980 BXHHTMXZHMVSDZ-NRFANRHFSA-N 440.542 4.768 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCC(=C)C)C1 1540885828 PUKRKKHJXQODBU-AZUAARDMSA-N 442.629 4.505 30 10 IJEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1555448618 AGGVEVSPQZIIKT-XUZZJYLKSA-N 444.583 4.514 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[C@H]2CCCCO2)cc1 1555987229 CPCRIRANVIZRGU-LJQANCHMSA-N 433.478 4.555 30 10 IJEE C#C[C@H](CC)NC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1556484609 CIEAYGVEXFUXOH-NHCUHLMSSA-N 444.575 4.956 30 10 IJEE Cc1cc(NC(=O)[C@H](C)N2CCC(c3ccc(C#N)cc3)CC2)ccc1Br 1560182324 IBTIJXRRVPKMAF-INIZCTEOSA-N 426.358 4.836 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(C)OCCc3sccc32)cc1OC 1560494600 RTOQDRFPOJHKIH-HXUWFJFHSA-N 438.387 4.662 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1ccccc1 1564396679 OGNWFFPCIOXXEY-OAQYLSRUSA-N 429.923 4.654 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3NCCC)cc2C1=O 1566403332 VMSXMEXUTULJIB-UHFFFAOYSA-N 431.414 4.562 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1nc(C)c(C)s1 1587946271 XMAAPTLEVVBVFN-UHFFFAOYSA-N 437.613 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C 1589150914 NUYFJTKFUNTJMD-KHCICDEESA-N 444.023 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)CCCS1 1589151050 QEGBMFYOKWRKQU-ZQMYSKGWSA-N 428.577 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCSCC=C 1589171651 NDQOTWJBPZDYAZ-HXUWFJFHSA-N 431.403 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1589216491 QETMRNFCZWZNGD-IQGLISFBSA-N 432.572 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccccc1OC(F)(F)F 1589227831 DXDPJRDSBUVQQZ-OAQYLSRUSA-N 446.498 4.869 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccn1 1595109274 WHXAIQFVELUJQA-UHFFFAOYSA-N 430.943 4.824 30 10 IJEE N#CCC[C@H](NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1)c1ccccc1 1611062871 DUHJIIIUKKTTRQ-VWLOTQADSA-N 436.515 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2ccc(OCC#N)cc2)c2ccccc21 1611329702 FRMFBKADAKPTKY-IBGZPJMESA-N 435.524 4.524 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@H](C1CCCCC1)N(C)C 1612262582 GXEKOUSVRWUCNY-XMMPIXPASA-N 434.632 4.894 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@@H](C)c3ccc(-n4cccn4)cc3)c2C#N)C1 1616737710 DNYGOLZWOIFMRL-IRXDYDNUSA-N 433.581 4.610 30 10 IJEE CC[C@H](CO)N(C1CCC(C(C)(C)C)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1620449997 GRRJULVXBXBQCZ-MDRJSERKSA-N 425.617 4.731 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C 1621586533 NKSARUCUZCCNIA-AWEZNQCLSA-N 439.002 4.639 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCCCO1 1626155526 SZBULLFJLVGWDV-DFBJGRDBSA-N 448.563 4.545 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 1628128429 RAVQDHLEMRBMHG-LJQANCHMSA-N 442.535 4.688 30 10 IJEE C=CC1(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)CCCCC1 1628470130 NRFKVZDFXROPIF-RUZDIDTESA-N 448.582 4.965 30 10 IJEE C=CC[C@H](NC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccncc1 1631878641 RHIJNMUBRRZLNT-SFTDATJTSA-N 442.604 4.958 30 10 IJEE C=CC[C@H](NC(=O)c1sc2cccc(F)c2c1COc1ccccc1)C(=O)OCC 1632656080 KSLXHXBZSSJMBL-SFHVURJKSA-N 427.497 4.857 30 10 IJEE C#CCN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCCc2ccccc21 1639322490 OOHYPWIDVFPZTP-UGKGYDQZSA-N 441.358 4.886 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1 1641943428 GOVWOZSRSHXOFZ-QGZVFWFLSA-N 447.988 4.941 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1C 1644732830 GZTUPMHZKRJMID-MUUNZHRXSA-N 444.623 4.538 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 1645353844 RFHNAPTZJOFBLC-ZBFHGGJFSA-N 431.627 4.760 30 10 IJEE CCC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1)OC 1649634079 HYLILSOXJJBDAV-BKSPAHHJSA-N 439.604 4.980 30 10 IJEE CCc1c(C)sc2nc(SCc3cccc(C#N)c3F)n(C[C@H]3CCCO3)c(=O)c12 1652373547 BAUICSXGKSSMAB-MRXNPFEDSA-N 443.569 4.811 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnc1-c1ccc(Cl)cc1 1652406204 KOCGSFRKVQBNKX-HXUWFJFHSA-N 449.967 4.944 30 10 IJEE C#CCN(Cc1cc(Br)cc(F)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 1655587117 PMTDFUFLFKNSBU-UHFFFAOYSA-N 443.332 4.562 30 10 IJEE COc1ccc(C2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)CC2)cc1 1657411377 HZMZVADCCUVWIR-KRWDZBQOSA-N 437.609 4.961 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2sc(Br)cc2C1 1659450610 ZALRGWJNICFTCT-ZDUSSCGKSA-N 425.417 4.534 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](Cn1ccnc1)c1ccccc1 1662577710 YOOQPLUOVQPJPX-LJQANCHMSA-N 441.329 4.773 30 10 IJEE Cc1cc(Oc2ccc(CN(C)S(=O)(=O)c3ccc(C#N)nc3)c(Cl)c2)ccc1F 1663925226 FNABJRRHWJZXBS-UHFFFAOYSA-N 445.903 4.667 30 10 IJEE C=CCC1(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1669695482 IRJMIDZVVCSATI-QFIPXVFZSA-N 444.572 4.897 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1cc(I)ccc1Br 1674212651 QTPFZEGEWYMYJM-SNVBAGLBSA-N 437.119 4.920 30 10 IJEE C#Cc1ccc(NC(=O)N2CCc3cc(Br)c(Br)cc3C2)cc1 1675409071 HGDSKMNUWMZCLU-UHFFFAOYSA-N 434.131 4.783 30 10 IJEE C=CCc1cc(CNC(=O)N(CC)Cc2nc3c(s2)C[C@@H](C)CC3)cc(OC)c1OC 1677640795 BMBLSRMXKQQVQC-INIZCTEOSA-N 443.613 4.745 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1c(F)cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1679857573 RKJXOTYGEGIPRW-OAHLLOKOSA-N 437.943 4.584 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1681459044 RDETXFBZIKUYED-PKTZIBPZSA-N 441.641 4.597 30 10 IJEE C=CC[C@@H](CO)CNC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 1684301773 SGNXNCQYYKHQOB-VLIAUNLRSA-N 425.331 4.900 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)c1nccs1 1689839553 IQWSLXNEMSCYGM-ROUUACIJSA-N 447.564 4.835 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1C 1690034463 ISUOSLIQXRAADK-IEBWSBKVSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1(OC)CCCCC1 1690054991 LKTLUCLLTGKAIT-UHFFFAOYSA-N 436.625 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCS1 1690254960 LQTRADWDSCDFBF-HXUWFJFHSA-N 427.618 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCn2ccnc21 1690256139 FASALMDTOHMXKL-RBUKOAKNSA-N 438.551 4.734 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1 1690292878 YVQVPORASSKVLG-UHFFFAOYSA-N 435.547 4.611 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690367428 OILOWMUOJHFURS-IRXDYDNUSA-N 432.515 4.907 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1690422564 SOKYDEANDLYGTI-IBGZPJMESA-N 441.620 4.826 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1690456455 GWKZJJLOEWAGHX-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)c2ccccc2)CC1 1690465458 BFIZEHGLDKKBAR-UHFFFAOYSA-N 430.600 4.725 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC12CCOCC2 1690533451 IPBDBIJUERNJRX-HNNXBMFYSA-N 437.371 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCCN1CCCC[C@@H]1C 1690581098 KTORKFZFPDQJIA-PZJWPPBQSA-N 429.634 4.648 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CCN1CCC[C@@H](C)C1 1690605364 HQEYGAZHZZEUQL-OAQYLSRUSA-N 433.600 4.814 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1690697636 ZKIGCVWNEHPRAI-FGTMMUONSA-N 435.494 4.723 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1692958203 DSEQSOSNAZEIFQ-JOCHJYFZSA-N 440.473 4.846 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](COC)C1)SC 1694262826 GUZTWXSAGVWMRH-HXUWFJFHSA-N 441.645 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1cccc(C)c1 1705479818 MASQSVOPSHSNAK-SJORKVTESA-N 440.389 4.616 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705529054 BWXICHDIOKJIJB-UHFFFAOYSA-N 448.567 4.948 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CCC(OC)CC1 1705606733 DLSILZHVKRYAKX-PGYGNJIDSA-N 426.630 4.796 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1705733582 QXQQIYYNFPNKMI-UHFFFAOYSA-N 430.980 4.588 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705785114 WHEMHVJHXBHUPE-DHLKQENFSA-N 438.616 4.937 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705788605 GNLBWJIQSFZAQT-SFHVURJKSA-N 440.617 4.789 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1705800422 XEXIHYKSQSXOMS-SFHVURJKSA-N 431.531 4.985 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1705813084 VHTAGUKQOPSINP-IEBWSBKVSA-N 428.577 4.952 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705814952 GFMRFHPYOHFVOC-IRXDYDNUSA-N 431.378 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc2c(c1)CCO2 1705837592 HPQLVMKRDURRDW-UHFFFAOYSA-N 445.386 4.569 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1705851288 AOUBTRIDZMQQCA-JKSUJKDBSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CCCNC(=O)OC(C)(C)C)C1CC1 1705851850 CZVPHXTVEOSNBS-UHFFFAOYSA-N 431.968 4.668 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H](C)c1c(C)noc1C 1705861600 JWGSMYGWTZIESH-LJQANCHMSA-N 442.567 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)CC 1705865369 KZRFIUFTVULGHE-DEOSSOPVSA-N 435.597 4.852 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(C)(C)C)cs1 1705872694 IAUSQDMQHVFQQS-UHFFFAOYSA-N 432.597 4.992 30 10 IJEE C=CCn1c(N(Cc2cccc(C)c2)Cc2ccco2)nnc1[C@@]1(OC(C)C)CCOC1 1705893671 NWJVAOITFSYMSA-RUZDIDTESA-N 436.556 4.613 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1706074681 CHTQAGAZGZCIAL-RBUKOAKNSA-N 446.640 4.815 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1709524393 CQGUNEYRNBGQEI-UHFFFAOYSA-N 439.604 4.542 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C)CC1 1722320098 SNNQQUTUQFRSQU-HXUWFJFHSA-N 443.636 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)CCC(C)C 1722418367 OAYDICRVLOFQGN-VWLOTQADSA-N 438.547 4.813 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1cccc(F)c1)C1CC1 1722518669 FSDURNJIADNGMB-UHFFFAOYSA-N 444.352 4.930 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCCC2)CC1 1722561297 OJUQSYQNHJCEOB-UHFFFAOYSA-N 425.533 4.607 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1722579292 NEBAADYGFXMJIF-VWLOTQADSA-N 426.605 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1722587584 UDPMAFKFNPQIEQ-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1722597544 UHIFIMSLNMEFKW-JOCHJYFZSA-N 437.632 4.579 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1722606303 KJBZKLYCIJVYAL-UHFFFAOYSA-N 448.615 4.948 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1ccccc1C 1722662502 HZGOXNGZUJVYCK-LJQANCHMSA-N 446.580 4.765 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1722666399 GFQKOQWIUREULO-UGKGYDQZSA-N 441.595 4.856 30 10 IJEE CC(C)(C)OCc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCCC2)no1 1723010859 FNNOCQKORAIDCX-UHFFFAOYSA-N 448.571 4.939 30 10 IJEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)=C(Br)C2)CC1 1727348871 FTLWICQCGTZGKH-UHFFFAOYSA-N 426.362 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCC(OC)CC1 1740533487 BSIKKFMDXFPTEC-VWYCLODISA-N 430.980 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)c1ccccn1 1740534790 KDGWOYCHUXRNCN-UXHICEINSA-N 447.583 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740560633 MMXKJRYGZIVZFA-LMNJBCLMSA-N 448.533 4.899 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)N(CC)CC 1740665832 RTTLKVMJYWZVNR-NRFANRHFSA-N 436.991 4.536 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740738795 PLNKTWUQWFJLOL-GOSISDBHSA-N 449.393 4.646 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)Cc1scnc1C 1740801493 AZCKCRZTPUFGBP-MRXNPFEDSA-N 447.992 4.971 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2CCNc2ncc(Cl)cc2Cl)CC1 1740821147 BDQKVVUGTWIYOF-UHFFFAOYSA-N 429.355 4.915 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1740855672 NQXQUQWKMOMXJB-QHCPKHFHSA-N 443.599 4.630 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(COC)CC1 1740883644 BIGMORFFLLFLEZ-UHFFFAOYSA-N 426.605 4.698 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nc(C(C)C)cs1 1740895233 VSLZMSPQKMMAEG-UHFFFAOYSA-N 427.574 4.603 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCCC[C@H]1C)C1CC1 1740906601 JEBJBWUBJBVWGZ-GOSISDBHSA-N 429.012 4.803 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCc1c[nH]c2cc(F)ccc12 1740933115 HHFAUFBYSWETIS-UHFFFAOYSA-N 436.560 4.675 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1740935501 NSSWZSVJWLTTAX-SGNDLWITSA-N 436.600 4.736 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)OC 1740936332 PUTVMVJVCHYVHT-UHFFFAOYSA-N 432.927 4.991 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1748718880 PKFIUYWJNHKAHO-UHFFFAOYSA-N 441.551 4.885 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)s1 1748894732 BZHNZBPQAZCHPH-UHFFFAOYSA-N 429.376 4.748 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC=C(C)CC1 1749122715 ZPEZGHPVNGPQSZ-CRAIPNDOSA-N 449.418 4.907 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749218634 RCQLGCKASIJGPD-XMMPIXPASA-N 448.615 4.755 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H](C)C(=O)NC 1749414287 AQBPZXWYLSQGND-AWEZNQCLSA-N 431.993 4.598 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCc1ccccc1)C1CC1 1749511307 UPTLUIQOLSLISZ-UHFFFAOYSA-N 426.362 4.823 30 10 IJEE C[C@H]1CCCC[C@@H]1OCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 1752117689 FRGKSRJQQVGWGW-CVDCTZTESA-N 449.555 4.553 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760141206 MWABVWLXRVKDOB-SIKLNZKXSA-N 431.411 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CC[C@](C)(CC)O1 1760214830 CZTASQCKDRIDAM-JPYJTQIMSA-N 428.939 4.548 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](c1cccnc1)C(C)C 1760225538 SHNXABCJFQNHFC-CVDCTZTESA-N 435.547 4.852 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC[C@H]1C 1760244637 BOOFEVFRRSQXNN-UYAOXDASSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CC)CC1 1760291789 CEQSVGCHLLKGJC-OAQYLSRUSA-N 443.389 4.899 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C 1760324451 KLECVPVGUKFOMF-DYESRHJHSA-N 432.996 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn2ccc(C)cc2n1 1760329616 FZINGGUWDJDLPU-LJQANCHMSA-N 448.546 4.964 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC(C)(C)C1)c1ccccc1 1760416615 IJMJFXKFQMDIGQ-OAQYLSRUSA-N 444.583 4.912 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@](C)(OC)CC1 1760426336 NVOOAQLUSYSTRZ-VWLOTQADSA-N 434.588 4.883 30 10 IJEE C=CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc([N+](=O)[O-])c1 1760430891 XKIKLLNZLZUJRS-QGZVFWFLSA-N 429.431 4.730 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760434670 JHKOGQRLGQODCH-QGZVFWFLSA-N 426.952 4.715 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](SC)C(C)(C)C 1760468238 MVOGCVOQIFZXMC-DLBZAZTESA-N 437.654 4.750 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1cc(F)ccc1F 1760486896 CVVWNXOYRQBJRZ-MRXNPFEDSA-N 430.524 4.753 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760531869 COGCNHIJQBQVOS-JOCHJYFZSA-N 447.583 4.737 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)CC1 1762947683 GAJMCNYONUGYQC-WOJBJXKFSA-N 432.572 4.728 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)CC1 1771538155 DXHUJZJJIXPXID-UHFFFAOYSA-N 432.572 4.829 30 10 IJEE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)cc1 1772748809 GGQIMKSGHZKUGA-UHFFFAOYSA-N 435.455 4.919 30 10 IJEE CN(C)c1ccc(/C=C2/SC(=NN=Cc3cccs3)N(Cc3ccco3)C2=O)cc1 1772758267 ZHBDBTOGEBCNEL-NQFKXEMJSA-N 436.562 4.914 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)c1cccc(C#N)c1 1858724905 ZENSWYXIOHXARW-QGZVFWFLSA-N 442.519 4.736 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861216405 GIFVDCXCOYMOBN-DQEYMECFSA-N 443.676 4.906 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862433801 LJVNLBWYMWEONB-HXUWFJFHSA-N 439.895 4.949 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)C)cc1 1862560111 FDNNZKHKNIGIDI-XMMPIXPASA-N 449.595 4.702 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1862584171 RFFGTOZUYBKXGJ-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1OC 1862585918 HYBGKAAUCXWCKB-IBGZPJMESA-N 448.302 4.751 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 1862653347 QWQZBJKLSVNLPZ-UPCLLVRISA-N 443.499 4.988 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862662937 NUEHCCRWKPLBOS-QFIPXVFZSA-N 425.500 4.952 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1F 1862702453 CJGQYNKEUMIHSM-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(F)c2)c1 1862703857 ZEYGCRDPULYTOJ-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)cc1 1862712398 PZYFQEXQPODQCX-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)O)cc1 1862715264 SXHYJYZVYSMCQR-IVZQSRNASA-N 429.472 4.915 30 10 IJEE CCCCCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CSCCO 1870161270 JLLJMLQCISHAOA-UHFFFAOYSA-N 433.614 4.892 30 10 IJEE C#CCOc1cn(CC=C)c(CSc2nc3ccccc3n2-c2ccccc2)cc1=O 1870298615 HAQNFMFOIWWGAO-UHFFFAOYSA-N 427.529 4.678 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(OC)cc2)cn1CCC(C)C 1870461057 ZYDKHNLQIWUARI-UHFFFAOYSA-N 440.584 4.535 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1cccc(C)c1 1871198340 QPSDPTCTCLCQCO-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(C[C@@H]1COc3ccccc3O1)CO2 1871353220 NKVDDLHEWRZHND-QEPAMEFZSA-N 447.512 4.665 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)cc1OC 1871371936 QCNRJFQJLPKRLS-FMCGGJTJSA-N 434.419 4.607 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1 1871438636 JETOLNXGVQFERP-QRVIBDJDSA-N 427.456 4.831 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3c(C)cccc3C)ccc2C1=O 1871440481 RJGPISXQDKXFMV-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872502552 BVIVOAVZMUQIIL-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872536310 FAKUDRMREDJIAC-WMZHIEFXSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccccc1 1872567855 UOUTZEQAAYZRDO-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2Br)=C(c2c(C)cc(C)cc2C)C1=O 1873330987 YQDXWTHYHJYJPI-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N(C)CCCC)ncnc2n1CCCOC 1873589815 ZBXRPZUZVSURQI-UHFFFAOYSA-N 431.625 4.794 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2c(N3CCCCC3)ncnc21 1873669044 LWYGHNCWJJEJPN-UHFFFAOYSA-N 444.583 4.850 30 10 IJEE N#Cc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2-n2cccc2)c1 1873866973 PJQOURWJFSPARM-UHFFFAOYSA-N 432.281 4.549 30 10 IJEE C=CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)C)cc1 1874276873 CVQIDAROYXIQCU-OEBVFIGYSA-N 425.602 4.676 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)c1 1874310164 HYVQTXHNUUFVLW-KOEQRZSOSA-N 431.565 4.585 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874417762 PFZMJLJDEOCZJO-WSDLNYQXSA-N 427.917 4.981 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(O)c1 1874452708 JIMXIQMCSVAPEE-MFKUBSTISA-N 449.580 4.817 30 10 IJEE CCSc1nnc(C2CCC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874492897 LDQGSHLBCIDTIU-BUVRLJJBSA-N 436.537 4.768 30 10 IJEE CCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 1874536692 PVOPOIISCMLMPK-AFUMVMLFSA-N 437.569 4.687 30 10 IJEE COc1cc(C(=O)/C=C/c2cccc(OC(=O)c3cnc(C)cn3)c2)c(OC)cc1Cl 1874712415 WINKAGMVECDNJN-BQYQJAHWSA-N 438.867 4.571 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cnccn1 1875112015 VRBHADPIMQJWSE-VOTSOKGWSA-N 429.259 4.907 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)COCc1ccccc1 1875120247 KEDQLZQVFFPTBI-WYMLVPIESA-N 432.472 4.722 30 10 IJEE C#C[C@@H]1N(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CC1(C)C 1899919409 YRWPNMHVPDVNOQ-WDNCENIBSA-N 444.575 4.810 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccc(Cl)cc3Br)cc2)OC1(C)C 1912665042 RLEAZDYGTYBYTQ-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 1922073445 DKFMOVGJDUCBKL-XZOQPEGZSA-N 426.557 4.818 30 10 IJEE C=CCN(C[C@@H](N)Cc1c(Br)cccc1Br)C(=O)OC(C)(C)C 1937828056 FCDMTBNTNLIBDR-LBPRGKRZSA-N 448.199 4.505 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@](C)(C=O)c1sc(Br)cc1Br 1952553758 VMKYVCCRWPPRPR-ZDUSSCGKSA-N 427.158 4.554 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCC2 1983652580 YSZSEJSLRGFCQY-LJQANCHMSA-N 433.471 4.612 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1(C#N)CCCC1 1984690954 RZJHPFJWLQGTAL-XMMPIXPASA-N 445.563 4.844 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C1CC1 1985180695 PNXVDTBQBYLPES-IQGLISFBSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CC2 1988946763 WQYIMULXTBHTOU-LJQANCHMSA-N 433.471 4.612 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)C12C[C@H]3C[C@@H](CC(NC(=O)OC(C)(C)C)(C3)C1)C2 2013343127 SUFIATJQAWWGBR-VHVRVSSBSA-N 427.585 4.984 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C(F)(F)C12CC(NC(=O)OC(C)(C)C)C2 2026164122 PVJAWGLKYRYFAA-YTCBPCPPSA-N 436.543 4.676 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100158057 WSJJGJPUEBMFNP-BJKOFHAPSA-N 435.417 4.802 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 2145540113 AHLGAPDOUHXJTO-OALUTQOASA-N 441.385 4.806 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCCC 2159121614 WTXOFFBCGPTACQ-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCCC2)c2ccc(Br)cc2C#N)C1 2174764556 ZXLQKRNOSKBCAY-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)cc(F)c2C#N)CC12CCC2 2174812898 QBKJFQCKYPKWRD-KRWDZBQOSA-N 438.341 4.734 30 10 IJEE C[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cccc(Br)c1 2180912887 SYRLXPADEVXUGK-RHSMWYFYSA-N 438.366 4.604 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC(=O)Nc2ccc(C#N)cc2Br)C1 2181155622 OYGLEQURNIKRNB-DZGCQCFKSA-N 436.350 4.590 30 10 IJEE CN[C@@H](C#Cc1ccc(Cl)cc1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216913872 PDXBCECAJPKJAQ-XZOQPEGZSA-N 442.987 4.780 30 10 IJEE CC(C)[C@@H](CCCC(=O)Nc1ccc(C#N)c(Br)c1)NC(=O)OC(C)(C)C 2235329860 HRHGHEVMXIXTJT-QGZVFWFLSA-N 438.366 4.979 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2235731688 QXNVDTKXNVZWCU-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CC2(CC(F)C2)C1 2251275934 NLTAMZAPQZICGW-NRMLQXQKSA-N 432.580 4.913 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)cc2C1 2255652590 WWQJQOISCRKSIH-UHFFFAOYSA-N 428.338 4.502 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2266703472 QDPKBDATCANGOI-WMZOPIPTSA-N 427.383 4.968 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(Br)c2)C1=O 2293128376 RASCPPNCGIWRAA-UHFFFAOYSA-N 430.323 4.993 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2cccc(Br)c2)CC(C(C)(C)C)C1 2296220334 XEAPURJLNSKRNN-ASNBIDDJSA-N 436.390 4.881 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(=O)C#Cc2ccc(Br)cc2)(C(F)F)CC1 2296220697 AVDQPAKWAPCJRL-UHFFFAOYSA-N 442.300 4.652 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2296286131 IGKGMRVTHFJSQI-MJGOQNOKSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2296306494 HXTYXGAULJDIOY-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccc2)cc1 2296935977 RVRGINQXCLKIKC-HXUWFJFHSA-N 434.517 4.785 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccc(OC)cc3)CC(=O)O4)C2=O)cc1 2297640074 OQJUQAVLPBUBCN-FQEVSTJZSA-N 428.440 4.761 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nncn1N=Cc1ccc(C(F)(F)F)cc1 2321274835 HVCNVKOJIRFLRQ-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(Cc2ccccc2F)CO1 2322056831 WQSWYDUAFJYCMU-UHFFFAOYSA-N 431.419 4.523 30 10 IJEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2ccc(OC)cc2)cs1 2323850717 DWQCIYMPXLHFGG-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCCO)n2N=Cc2ccccc2Cl)c1 2327030027 OUJRPACKZZKYEF-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(Cc2ccc(C)c(C)c2)nnc1SCCO 2329459113 QBDAIQIBRQTFIM-UHFFFAOYSA-N 446.576 4.614 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330482478 QZJKSQNPUYCOPK-UHFFFAOYSA-N 428.945 4.787 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2330647880 DTBKMHVOZHQJCG-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccc(F)c1 2330824149 QQHLODQKGKPNNY-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE C=CCSc1nnc(CCOC)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331293767 AHEBESUPWMFTIR-UHFFFAOYSA-N 432.590 4.595 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331459752 RLNUBQBKOXOLCD-HXUWFJFHSA-N 448.874 4.867 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(COC)c1 2337139219 BHUXUVJUJSFOTO-MSOLQXFVSA-N 427.383 4.716 30 10 IJEE C=CC1(C[C@@H](NCC)[C@@H](O)c2sc(Cl)cc2I)CCC1 2366667526 MDIULCXUAVBWLY-DGCLKSJQSA-N 425.763 4.764 30 10 IJEE CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C/c2ccc(C(C)C)cc2)C1=O 3004179 KADZSSNGPVPJGN-XSFVSMFZSA-N 435.545 4.980 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3c(C(C)C)cccc3C(C)C)cc2C1=O 9701790 DATIRDKPBKFASY-UHFFFAOYSA-N 448.519 4.511 30 10 IJEE Cc1cc(C)cc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)c1 12241632 GTGVJYFBVHAOMC-UHFFFAOYSA-N 439.519 4.852 30 10 IJEE CCOc1ccccc1/C=C/C(O)=N/c1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 20114429 HJFOMMLRGYCWDM-FMIVXFBMSA-N 430.552 4.995 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 20829701 ZJRHIMRDFATREU-QFIPXVFZSA-N 432.593 4.535 30 10 IJEE Cc1cccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)c1 20905426 UCDUYVVTSLQPMO-BUVRLJJBSA-N 430.537 4.833 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3Cl)n2)cc1 21077615 OWZYKZMVSPRIQX-FSJBWODESA-N 442.976 4.932 30 10 IJEE COc1ccc2cc(/C=C/C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)ccc2c1 26888075 GHVNHOOUEPMKFY-XKOZXHHJSA-N 446.528 4.854 30 10 IJEE CCN(CC)C(=O)c1sc(NC(=O)/C=C\c2ccc(Br)cc2)c(C#N)c1C 33333782 ZPALRTVEYDKVEE-FLIBITNWSA-N 446.370 4.825 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 41285856 KRWKPEWOENVUHT-XKZIYDEJSA-N 446.455 4.856 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 59809106 PJJVBJRUQFECAL-GOSISDBHSA-N 443.576 4.815 30 10 IJEE C=CCn1c(SCc2ccccc2C(=O)NCC(C)C)nnc1-c1cccc(OC)c1 85410489 RCFXKAXFJSTJHY-UHFFFAOYSA-N 436.581 4.818 30 10 IJEE C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1ccccc1C 101189230 NXIWMZGQXJKXQM-UHFFFAOYSA-N 448.592 4.961 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)c1 169957008 RRLSHOTZWPQYMC-QHCPKHFHSA-N 434.536 4.672 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@H]2c2ccco2)cc1 170092277 JAIMDARLXNRESC-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170094487 FDZZBATVVMGYAU-JOCHJYFZSA-N 441.443 4.502 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@H]2c2ccco2)c1 170096306 FFNKICWBBVATCY-QHCPKHFHSA-N 447.487 4.508 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)cc1 170131049 MBQPKLVUBBFDQK-HSZRJFAPSA-N 431.488 4.549 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(O)c(Cl)c1 170219587 VGONIXCYOLMAQU-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccco2)cc1 170287984 DFEHNEWXKPKLDV-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303602 UCYSABBFJOBNJP-NRFANRHFSA-N 435.863 4.959 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccncc1 170340087 VXMCBWFDDLIIOX-IBGZPJMESA-N 441.270 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1cccs1)c1ccco1 170349342 PLNXEWWYMVJNHR-INIZCTEOSA-N 430.279 4.887 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccc1)c1ccncc1 170371194 HYMKYUSXMAXYAR-LJQANCHMSA-N 440.377 4.763 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC(C)C)c2)cc1 170475459 FJQCTMFRNZKOHE-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE Cc1ccc(OCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 170577798 XYTQWPLTYGJODO-UHFFFAOYSA-N 439.519 4.933 30 10 IJEE C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(OC)cc1 252627628 RYIGDDRCSOTAKF-BZMHFZIGSA-N 439.562 4.864 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 441198089 BRWGRNXBMSAJJA-UZLBHIALSA-N 425.529 4.912 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 442270449 HCXZVUBAOWLSLG-AZUAARDMSA-N 437.506 4.757 30 10 IJEE C[C@H](Cc1ccc(O)cc1)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 461485626 ZVSWRUIWYBZVSX-QGZVFWFLSA-N 429.549 4.700 30 10 IJEE CSc1nc(O)c(C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)cc1C#N 478700340 JNWFJSUYGDLBOZ-UHFFFAOYSA-N 443.532 4.616 30 10 IJEE Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)sc1Cc1ccccc1Cl 504074993 JWQJTMDSBOTHGL-NRFANRHFSA-N 433.961 4.896 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC2CCCC2)CC1 508728040 BIGXPKONIWMGLD-GOSISDBHSA-N 428.552 4.919 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 523770159 LJISIGJPARGMMZ-DEOSSOPVSA-N 430.508 4.980 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(Sc2ccccc2)C1=O 526658869 CITJEIIXHRBIIY-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCCN(C(=O)Cc1cccc(C#N)c1)c1cccc(NC(=O)Cc2cccc(C#N)c2)c1 531151186 KAKCWCTUSOGWFX-UHFFFAOYSA-N 436.515 4.597 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 549270605 HEAZIHKGMOGNSA-SFHVURJKSA-N 439.585 4.687 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 577829509 UTXCCPHFWDSFEX-GJZGRUSLSA-N 437.407 4.598 30 10 IJEE COc1cc(OC)cc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 586218959 YYDPENNCHKRHDV-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE N#Cc1ccc(CN(c2cccc(OC(F)(F)F)c2)S(=O)(=O)c2cccs2)cc1 586220436 BPVURQFLFGZGSO-UHFFFAOYSA-N 438.452 4.914 30 10 IJEE CCOc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(Cl)cc2)cc1 586300974 PLYHIJBZPFBKIA-UHFFFAOYSA-N 440.908 4.646 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2cccc(Cl)c2)CC1)c1ccc(Cl)s1 586509396 CHAWUMFRAVOYTQ-UHFFFAOYSA-N 434.366 4.501 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cn(-c2ccccc2)nn1 588349880 GSIPUZMCTLBXDA-UHFFFAOYSA-N 438.944 4.570 30 10 IJEE CCN[C@@H](CC#CC(C)(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693702524 PRYMZDDWUQLZBA-NVQXNPDNSA-N 427.633 4.574 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 699596112 PEGDEDPRJBFIQE-DVECYGJZSA-N 445.560 4.655 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 733202408 RCCGCSUHOVJRBA-QFIPXVFZSA-N 427.529 4.823 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n(C2CCCC2)c1C 745228424 HGSNSDLLUGOVGD-HKUYNNGSSA-N 441.478 4.655 30 10 IJEE CCCOc1ccc(Br)cc1COC(=O)CCc1c(C)nc(O)c(C#N)c1C 763594578 JZUGBSQHKNILLI-UHFFFAOYSA-N 447.329 4.503 30 10 IJEE N#C[C@@H](C(=O)CCc1nc(O)c2ccccc2n1)c1nc(-c2c(F)cccc2F)cs1 920806480 MCXMOTXTZBKYCC-ZDUSSCGKSA-N 436.443 4.546 30 10 IJEE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNc1c(F)c(F)c(F)c(F)c1F 1084591223 KMGNDYNZCDMYET-UHFFFAOYSA-N 425.317 4.539 30 10 IJEE C=CCC[C@@H](C(=O)NCCOc1ccc(I)cc1)c1ccccc1 1128319758 PCUCEWAYSMTXRJ-LJQANCHMSA-N 435.305 4.536 30 10 IJEE CCCCc1ccc(N2C[C@H](C(=O)N3CCC(c4ccc(C#N)cc4)CC3)CC2=O)cc1 1134270402 FCVCJMABGJPJND-XMMPIXPASA-N 429.564 4.660 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC)c1cccc(C(F)(F)F)c1 1136563075 OXAMDFHDCXOZJR-ROUUACIJSA-N 426.479 4.970 30 10 IJEE C=CCn1c(SCC(=O)N2CCC=C(Cl)C2)nnc1-c1ccc(Cl)cc1Cl 1164305394 CQBGZFDDEQPPMO-UHFFFAOYSA-N 443.787 4.885 30 10 IJEE C=CCn1c(SCC[C@H](O)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164428096 BGMNJGPEQYBLOA-YJBOKZPZSA-N 426.607 4.985 30 10 IJEE C=CCn1c(SCc2ccc(Cl)cc2-n2cncn2)nc2cc(Cl)ccc2c1=O 1164458716 HCJPBEQHGHAYJQ-UHFFFAOYSA-N 444.347 4.762 30 10 IJEE C#CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 1188269148 NNDZAOHMMFCOOS-UHFFFAOYSA-N 430.982 4.721 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CC(C)(C)C(F)(F)CC 1209063589 DDNBVWVRSINNJD-UHFFFAOYSA-N 442.341 4.978 30 10 IJEE C#Cc1ccc(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c(Cl)c1 1209897865 HKBAWHBQSWQTMO-HIFRSBDPSA-N 446.570 4.681 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(COC4CCCC4)cc3)CC2)c1 1215389406 FBJVCVRLARAERT-UHFFFAOYSA-N 432.568 4.804 30 10 IJEE C=CC[C@H](NC(=O)NCc1cc(C(F)(F)F)ccc1Br)c1ccncc1 1228097917 PNJPKZDVAMHGMW-INIZCTEOSA-N 428.252 4.980 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C/C(C)=C\c1ccccc1 1286337795 VAIMOAWXCUTJIS-LGMDPLHJSA-N 438.373 4.989 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1csc(C)n1 1286424294 WKOZQBNFYZQRKE-UHFFFAOYSA-N 444.391 4.722 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1cccs1 1286437238 CTNDMGQPRVBJHH-WAIKUNEKSA-N 440.638 4.560 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1286600016 HBTXZPXJZVSKON-JQVVWYNYSA-N 428.552 4.919 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1286623588 URTNELDIFQQVKT-KDOFPFPSSA-N 445.932 4.634 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC1(C)C 1286626556 ZSYJDRGLWGOKCM-UHFFFAOYSA-N 425.758 4.848 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2ccco2)C1 1286694960 KYDJYVXGZBHELS-IBGZPJMESA-N 443.345 4.845 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286695245 SEIKJYBIFRGCER-OAQYLSRUSA-N 449.559 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCCN1CCCC[C@@H]1C 1286753560 FXPWXVNDRFYPLF-NRFANRHFSA-N 430.600 4.936 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286772101 MHHUTWSTJSUNKU-INIZCTEOSA-N 444.421 4.513 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2c(C)coc2C)C1 1286800308 JGWOZLQRXGFXCA-OALUTQOASA-N 440.519 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCO[C@H]2C(C)(C)C)C1 1286806971 ZEPSUONJHQCOEG-MQSCRBSSSA-N 438.616 4.876 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1298803249 LKUOEIZFHNQIOI-OAQYLSRUSA-N 436.512 4.934 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)c1nc(C)cs1 1300287094 UBPVWKDCEQFJPZ-DZGCQCFKSA-N 429.977 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCc1ccc(OCC)c(OCC)c1 1300802190 JQDMQTYJWWKRRA-AREMUKBSSA-N 436.600 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCN1CC 1300905038 JRJNKXGTYAYVIS-OAHLLOKOSA-N 438.439 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(C)C)CC1 1301141845 RBBYLSNWGOALAY-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301198742 QDPUGGLHOJDCKU-IEBWSBKVSA-N 438.494 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1nnc(C(C)(C)C)s1 1301347066 NWZACENPIDZXPN-UHFFFAOYSA-N 433.585 4.663 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1301349869 PKPQQBDBHVRZPW-KHOMTPLRSA-N 426.580 4.849 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1Cc1c(C)coc1C 1301354555 CWZOHWIFXLHZPX-UHFFFAOYSA-N 431.515 4.854 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccc(F)cc1 1301359811 PSSZRFHMHMFECC-QHCPKHFHSA-N 437.544 4.574 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CCCC1 1301468263 CEHIOEDKUBSWEY-UHFFFAOYSA-N 432.572 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC=CO2)C1 1301537556 BVMIOZFVESTJEZ-BHIFYINESA-N 438.572 4.509 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1 1302118964 GFHCTWLEHPJVAZ-FYYLOGMGSA-N 427.637 4.982 30 10 IJEE CCc1nc(C)c([C@@H](C)N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)s1 1306001618 AQZBFZYJTJRGNO-QGZVFWFLSA-N 438.601 4.910 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(Nc3cc(OC)c(Br)c(OC)c3)c2c1 1307078263 ABSYOKLSDFQXIF-UHFFFAOYSA-N 444.285 4.647 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1cnc(C)s1)c1ccc2c(c1)OCO2 1350356331 YEKCRPZWJGMCFV-LUAWRHEFSA-N 434.517 4.992 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3ccc(OCC)cc3s2)CCCN1C(=O)OC(C)(C)C 1355528093 MSKPDCUUKSLBFM-QFIPXVFZSA-N 431.558 4.979 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(CCOC)CCCC1 1358872749 YJUZOZJIIAHCTG-RTBURBONSA-N 428.552 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)c1nccs1 1358876338 HSZYLTFPSHGHOH-QWHCGFSZSA-N 448.365 4.565 30 10 IJEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1cccs1 1358912129 JOMAZNAXZYIBRQ-LJQANCHMSA-N 449.628 4.515 30 10 IJEE C#CCCCCn1c(N2CCC(c3ccsc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358917407 PWVCQRZDLICYKC-DEOSSOPVSA-N 442.629 4.568 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1358921905 MSZRUJPSVBUNRW-IBGZPJMESA-N 445.405 4.905 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1359003195 BNKONSAXLLWKME-SANMLTNESA-N 434.584 4.820 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1359177704 YKBSNLLUHOWLEH-UHFFFAOYSA-N 428.462 4.513 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)CC 1359189527 NEHJVMHNVLOTOJ-OALUTQOASA-N 449.640 4.671 30 10 IJEE C=CCCCn1c(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)nnc1C(C)(C)C 1359220599 DDGPUTNSPABVGS-UHFFFAOYSA-N 430.666 4.618 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCCCC2)C1 1359224032 DJJDRHLXQRZGRR-UHFFFAOYSA-N 437.613 4.666 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1CC1CCC(F)(F)CC1 1359929324 CEKAUUFWLPNYIW-UHFFFAOYSA-N 430.547 4.856 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)c1ccc(Br)cc1 1436652297 YKFFZXMTICHMAX-ACJLOTCBSA-N 435.159 4.881 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)CC2)cc1 1439706214 DAUPDDCAOVZKAH-UHFFFAOYSA-N 431.414 4.689 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 1459632191 PDLYMRPIICMHJN-GBXCKJPGSA-N 435.955 4.963 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OC 1462227433 DJYCDVSHMMYUDS-QHCPKHFHSA-N 436.980 4.889 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2C)c1 1465535342 GUSGMFURJYXQPS-KRWDZBQOSA-N 447.373 4.685 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 1466287357 LFZCKYNEIQQSJO-CRAIPNDOSA-N 440.491 4.646 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 1466546784 TUZJQQLQTBSKNN-LJQANCHMSA-N 435.549 4.835 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 1470124491 WHWWBSIZQHIFSD-JOCHJYFZSA-N 443.588 4.573 30 10 IJEE C#C[C@H](NC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(Br)cc1 1470662594 GNJOCKRCFTYDLK-UNMCSNQZSA-N 434.337 4.740 30 10 IJEE COc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2)cc1 1476323549 BOBSIRRMNUOGNZ-SFHVURJKSA-N 449.942 4.893 30 10 IJEE C=CC[C@H]1N(C(=O)NCCc2ccc(I)cc2)CCCC1(C)C 1479032408 FIGPWKRGSYZWQF-QGZVFWFLSA-N 426.342 4.610 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1507559335 QWKDCHVFLXGDRV-FCHUYYIVSA-N 435.616 4.578 30 10 IJEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCc1cccs1 1507560256 GCKVJHOOHKSOJL-UHFFFAOYSA-N 446.580 4.528 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(C#N)CC1 1507570447 PDTMDLDPZBHENE-UHFFFAOYSA-N 439.991 4.795 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H]1CCc2ccccc21 1507606877 AMJCEAWAKRAPQM-INIZCTEOSA-N 441.398 4.959 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCC1(C)C 1507661894 AAHJKMPWULJQLC-LJQANCHMSA-N 439.401 4.997 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@@H]1CCCCO1 1507764258 KWOPAYXIMSVKAB-TVZXLZGTSA-N 436.600 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl 1507798135 GAHRISHSRXAROM-KKSFZXQISA-N 441.938 4.750 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC1(C)C 1507809115 SPBSCXRCGKHKPJ-LAUBAEHRSA-N 430.980 4.871 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507887235 ATXWUXJIXHRZBU-GJZUVCINSA-N 437.632 4.832 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1507925050 XYKHVKKBKJSCTD-GGAORHGYSA-N 448.615 4.822 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC[C@H](C)C2)C1 1508117885 OWMNDGDYSVGYSK-SQGPQFPESA-N 432.515 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2ccc(F)cc2)C1 1508128841 CRGWBSRKFLWVLT-JOCHJYFZSA-N 426.580 4.909 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H]1C 1508162688 RQHBYFMRVDHQCZ-MSOLQXFVSA-N 449.665 4.547 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[S@](=O)C(C)(C)C 1509947493 AMQOOGCHZQIITD-JTBPQFFMSA-N 447.674 4.561 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1515210605 GFOMWOOSZNKTAF-PTUXOGIPSA-N 439.604 4.663 30 10 IJEE C=CCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1516157092 VAJYRIWRYKPVIW-UTKZUKDTSA-N 433.470 4.998 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C/c1ccc2cc(OC)ccc2c1 1523507065 CIKJRNJDRRKDMN-XYOKQWHBSA-N 432.472 4.991 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(C)c(I)c2)cc(OC)c1OC 1524693787 TYISAJQOOJGBIM-UHFFFAOYSA-N 437.277 4.598 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 1525037797 DEKUBFVXXQEESX-XJABCFGWSA-N 447.337 4.921 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1528968417 PRCXHUPDHUQTHL-DRMXPCRNSA-N 430.976 4.885 30 10 IJEE CCc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)nnn1Cc1ccccc1 1534340108 DMCWBPZJNBAXRM-KRWDZBQOSA-N 433.581 4.835 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)cc1OC 1534449507 ALKOPYDXBVXTFJ-ZRDIBKRKSA-N 446.503 4.991 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 1534784466 HYONXUMAECAQDL-YLJYHZDGSA-N 434.305 4.512 30 10 IJEE Cc1nsc(N(C)C(=O)c2ccc(COc3ccccc3Br)cc2)c1C#N 1535447705 CKAONEASXAQQDN-UHFFFAOYSA-N 442.338 4.941 30 10 IJEE C=CCc1cc(C(=O)OCc2c(Br)cc(F)c(F)c2F)cc(OC)c1OC 1536622036 PDIBIGKPKIYIHX-UHFFFAOYSA-N 445.231 4.969 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC2(CCCCC2)O1 1539029890 LJJYJKMKOMHTNJ-FCHUYYIVSA-N 436.600 4.814 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1539116652 MBEQLAUJMGTKFC-YADHBBJMSA-N 442.991 4.537 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1cccc(Cl)c1 1539141146 DDKBLKUUEMWDAB-NHCUHLMSSA-N 445.007 4.779 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1OC1CCCC1 1539160956 GNUMRDAHJIXJHZ-UHFFFAOYSA-N 439.922 4.572 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCSC1(C)C 1539239360 KWDPRMSTVYYEJT-QZTJIDSGSA-N 443.016 4.676 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC1CCCCC1 1539391636 GMGVDJQCEUXVAS-UHFFFAOYSA-N 437.588 4.993 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC1(c2ccccc2OC)CC1 1539673992 DLRUSOVUELWSIV-UHFFFAOYSA-N 437.613 4.777 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCCC[C@@H]2C1 1539684880 KVJHSLZLWXAFLQ-PZJWPPBQSA-N 444.023 4.939 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ncc(CC)s1 1539686055 CZEGZYMXTGFQKN-UHFFFAOYSA-N 432.391 4.939 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1Cc1cccs1 1539779740 DYEOCLJRTHSBQG-QGZVFWFLSA-N 444.988 4.988 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1539856268 WNGPMNWUZCYTFB-RXFWQSSRSA-N 438.616 4.862 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1539939405 GONDSFCTIMLZOI-JOCHJYFZSA-N 447.583 4.559 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCO[C@@H](C)C1 1539944313 AHVQWKNCEAZOAR-RBUKOAKNSA-N 426.561 4.672 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1539971761 RFJBTKJMXNUDCT-NRFANRHFSA-N 429.653 4.746 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1539998466 IZNJJWXKGUYDCU-INIZCTEOSA-N 426.458 4.933 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H]1CC 1540006413 SLZFHLYKVNCRQA-UYAOXDASSA-N 431.625 4.984 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C)C1)C(C)C 1540151125 DHDJTDNIVMZVKO-GBXCKJPGSA-N 432.616 4.971 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCN(CCC)C1 1540154474 XNQHJDFDFMELCD-NRFANRHFSA-N 430.600 4.712 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCSC1(C)C 1540180450 OFNYLGYVCWUJKH-FGZHOGPDSA-N 440.657 4.939 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C(F)(F)F)cc1 1544661250 CXLLAPYXLNGBFT-OAHLLOKOSA-N 435.295 4.803 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC#N)CC1 1546633766 HFJXYUHFZWUGNW-PMACEKPBSA-N 437.588 4.919 30 10 IJEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)CC1 1555361780 GAMHJHXHVFMRBC-SFHVURJKSA-N 435.597 4.620 30 10 IJEE C=CCn1c(SCc2ccsc2C(=O)OC)nc2sc3c(c2c1=O)CCCC3 1559330465 BERNOHKDSGQGTN-UHFFFAOYSA-N 432.592 4.663 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3[C@@H]3CCCOC3)c2C#N)C1 1559939947 FFZWHWULDGVXJZ-DBXWQHBBSA-N 443.657 4.990 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC2(c3cc(Br)ccc3OC)CC2)cc1 1561683251 YJHRMRGPNUAMBM-UHFFFAOYSA-N 436.371 4.544 30 10 IJEE CCN(CC)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1562320145 CVVQQSOLDZMOTP-FQEVSTJZSA-N 440.975 4.986 30 10 IJEE CO[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(Cl)cc1 1562533047 BHNAQEUVTMEWDZ-GOSISDBHSA-N 430.295 4.560 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 1564912947 DPUMOIRQWMGOFJ-IRLDBZIGSA-N 438.547 4.556 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12 1565157069 XTFDYHOSGYBILN-HSZRJFAPSA-N 430.548 4.989 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 1566143128 NCMGONQCHMTWHH-MRXNPFEDSA-N 435.496 4.642 30 10 IJEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CCCC1 1568998463 LSLHNFMMQXXILF-UHFFFAOYSA-N 442.581 4.752 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 1569725267 RQMQNEQKDIUJEI-GOSISDBHSA-N 429.314 4.776 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1583695506 FVEADSLLXYMYMP-QFIPXVFZSA-N 440.609 4.557 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1CCC(OC[C@H]2CCCO2)CC1 1584641653 IKBOFGQGIRJUOA-VMWRSERWSA-N 438.362 4.707 30 10 IJEE C=CCN(C(=O)c1ccc(OC)c(-c2ccccn2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1585016399 SUIHZXFEPUQSSD-XMMPIXPASA-N 444.531 4.560 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc21 1585547200 UNDNWZKSFOAFOT-NRFANRHFSA-N 445.350 4.541 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C 1587336197 FSSCKCPQOQRNLZ-IRLDBZIGSA-N 429.605 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCOCCC(C)C 1587604748 YLGLRMWEDPPULC-QGZVFWFLSA-N 433.394 4.618 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1587656434 IHJCVBHKCVPUGC-SGIRGMQISA-N 433.644 4.769 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1588198449 TZCRZZZWQRJYEF-ZRZAMGCNSA-N 445.655 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1589142482 IIMCWGNWOAFBDV-XLNZFTOWSA-N 441.620 4.573 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCSC1(C)C 1589242765 IWJRQSASXJYVMJ-CJFMBICVSA-N 438.641 4.998 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC2CCCC2)nc1 1589657923 NQESHASLSLLTFU-OAQYLSRUSA-N 425.577 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)Oc1cccc(F)c1 1589675938 IXGMDLKALVDFSY-INIZCTEOSA-N 429.565 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2cc(F)ccc2C1 1594511341 PBHXQQUSPKHEOA-UHFFFAOYSA-N 425.577 4.938 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)c1ccccc1 1594533713 FQUXMKASGOYHNK-RBBKRZOGSA-N 434.588 4.912 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCOC[C@H]1C 1595238903 ANDYVVPTVFNUCS-NFBKMPQASA-N 431.584 4.556 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)NCc3cc(-c4ccc(F)cc4F)on3)o2)cc1 1596924592 HLCYUMNFFGJHSI-UHFFFAOYSA-N 435.386 4.593 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2nc(C(F)(F)F)cs2)o1 1612028644 FHDGZRYWSOKCKO-UHFFFAOYSA-N 436.463 4.500 30 10 IJEE C=CCn1c(SCCCS(=O)(=O)c2cccc(C)c2)nc2cc(Cl)ccc2c1=O 1613136219 RYPBWZKVOQBTKV-UHFFFAOYSA-N 448.997 4.500 30 10 IJEE C=C(C)Cn1c(SCCCN(C(=O)OC(C)(C)C)C2CC2)nnc1-c1ccncc1 1613604250 DVIOVNRKAVRCAP-UHFFFAOYSA-N 429.590 4.798 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 1616735246 UGRDXMXTJCMOCF-RCCKNPSSSA-N 427.903 4.823 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cc(-c3ccccc3Cl)n(-c3ccccc3)n2)n1 1618759324 NOTYGRLCKFCCJF-UHFFFAOYSA-N 443.938 4.685 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@@H](F)C1 1619110234 DWXBKQKUFLLCQA-ZDPZECHZSA-N 431.943 4.875 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 1626172688 XBMILTWPHJBXOD-MRXNPFEDSA-N 444.247 4.575 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(N(CCC)CCC)cc3)ccc2c1=O 1628379216 HBYSAQUTIMZXLT-UHFFFAOYSA-N 436.581 4.750 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 1628572319 IMRVWEHCPSCROH-INIZCTEOSA-N 427.372 4.694 30 10 IJEE C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1628790458 JKCMSLUCOCVXQC-KRWDZBQOSA-N 433.733 4.931 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 1632480633 IFCCMRKNIMQNAQ-UHFFFAOYSA-N 441.531 4.884 30 10 IJEE C=CCC[C@@H](NC(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC)c1ccccc1 1632525344 QVMLHTAGXOXRDG-LJQANCHMSA-N 429.948 4.992 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 1632714797 GDIVYLGGRRWNKP-ACJLOTCBSA-N 425.356 4.746 30 10 IJEE CCc1ccc([C@H]2CCCCCN2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1634187758 GDCFMKWYIOZFQI-FGZHOGPDSA-N 434.540 4.536 30 10 IJEE C=C(C)[C@@H](NC(=O)NOCc1ccc(F)cc1Br)c1ccc(F)c(F)c1 1634436403 XZCRFECHKBDARJ-QGZVFWFLSA-N 429.236 4.915 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CC)(c3ccc(Cl)cc3)CC2)c1 1634774683 BPKHTOMJEWLZEW-UHFFFAOYSA-N 443.996 4.721 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(Br)c(Br)[nH]1 1636337094 XFHCUBZKXYFZMP-UHFFFAOYSA-N 444.171 4.536 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)C1(CO)CCCC1 1643339930 AVPPHEWFQTYMOZ-CYFREDJKSA-N 437.609 4.760 30 10 IJEE C=CCn1c(SCc2ncc(Br)cc2F)nnc1-c1ccccc1OC 1643417328 RZMWVRUTIZIYBN-UHFFFAOYSA-N 435.322 4.729 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1644462852 RXZSHIPKAOUOFC-CYBMUJFWSA-N 438.380 4.818 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(SC(F)(F)F)c2)c1 1645730262 TUVXKEGVQWNNTL-AWEZNQCLSA-N 441.496 4.587 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNCc2cn(-c3ccccc3Br)nc2C)c1 1649805922 HTOOTDFVTOBWTP-IBGZPJMESA-N 439.357 4.914 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccc(C)cc3)C2=O)nc2cc(Cl)ccc2c1=O 1652366043 WDRBEBLIJOEABQ-HXUWFJFHSA-N 439.968 4.832 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1sncc1Br 1652741550 NIKXJISYXWSGJQ-UHFFFAOYSA-N 437.388 4.863 30 10 IJEE CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 1653834217 BIUJNMRHPIHULN-UHFFFAOYSA-N 447.354 4.546 30 10 IJEE CC[C@@H](c1ccccc1)N(CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1657118905 GWPCIGTVQADRMH-QPPBQGQZSA-N 448.611 4.829 30 10 IJEE COC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(OC)c1 1658365205 BDOUVZXIQWBCFE-VWLOTQADSA-N 445.519 4.849 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)cc1 1658659240 RRJFLAPPBIAMBZ-VWLOTQADSA-N 446.595 4.942 30 10 IJEE CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Br)c1 1661643595 ALXCDPSHIWSNMO-HXUWFJFHSA-N 429.362 4.599 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc([C@@]3(CC)CCC(=O)NC3=O)cc2)cc1OC 1661763996 CYUAZTXHERSIBT-XMMPIXPASA-N 442.943 4.610 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c1 1662703022 AHSFVQYAZMRGFU-FQEVSTJZSA-N 445.313 4.528 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cc(NC(=O)OC(C)(C)C)ccn2)cc1OC 1663295447 ILEUOUCXKWRRPH-UHFFFAOYSA-N 433.936 4.945 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(C)(C)CCc3ccccc32)cc1 1667955849 GSOQXLAXNLKHRO-QFIPXVFZSA-N 441.597 4.718 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1ccc(C(F)(F)F)cc1 1668177203 ROQYOTMCZGIUJH-HNNXBMFYSA-N 444.431 4.608 30 10 IJEE CC[C@H](CO)N(Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1671278690 CCXWGUXSNBTNDP-OAQYLSRUSA-N 445.567 4.846 30 10 IJEE CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1671954322 AORJYAXNUCFKAU-UHFFFAOYSA-N 431.565 4.700 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@H]2C)C1 1672894050 CAAYVJGHJMVISI-KSZLIROESA-N 429.561 4.537 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1674581485 DUGAVZVTBLUGCG-OAHLLOKOSA-N 427.220 4.521 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(OC)cc2OC)cc1 1675090095 HKZZAKJZGZYKBF-HSZRJFAPSA-N 435.455 4.634 30 10 IJEE C#CCC1(NC(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CCOCC1 1678297281 BOEARJFOEWJEOG-OAQYLSRUSA-N 430.520 4.648 30 10 IJEE C#C[C@H](NC(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1)c1ccc(Br)cc1 1679227964 OWOWPHRIZWRODF-JXFKEZNVSA-N 444.373 4.831 30 10 IJEE COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1680010224 HXNIWGTVBKGNST-BCHFMIIMSA-N 442.563 4.897 30 10 IJEE C#CCN(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CCCc2ccccc21 1682254287 GBALGWHYQCGKFC-AOMIVXANSA-N 433.518 4.514 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1689947298 DNBGNWWVEKXRCF-CTNGQTDRSA-N 439.604 4.535 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1690384190 ILRCPFYUMDWOEU-BHDDXSALSA-N 443.680 4.864 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1csc([C@@H](C)OC)n1)C1CC1 1690546899 NVUZBNASHKQOHF-OAHLLOKOSA-N 444.004 4.889 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1690596954 FMOVYGCRUTYMJV-ISKFKSNPSA-N 428.527 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1c(C)noc1C 1690597481 VCOKQISJZRPMBH-OAHLLOKOSA-N 427.499 4.734 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCc2cccnc21 1690611597 RIUFKKDFPAZDMK-HXUWFJFHSA-N 437.975 4.752 30 10 IJEE CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1696134014 ADZLQPIFABAQJS-RUZDIDTESA-N 437.588 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCSC1(C)C 1705505174 HGDRWBUGHJPQJF-SJORKVTESA-N 430.643 4.569 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1705530101 SOBXFDUQEHNTBJ-RBUKOAKNSA-N 442.007 4.533 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)C1CCCC1 1705545458 BARDZYWRNWTPMC-UHFFFAOYSA-N 437.588 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(C)c1 1705607389 BMEZQBSJGJEKSP-UHFFFAOYSA-N 429.387 4.780 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)OCCc2sccc21 1705609126 RFXCMGIMTHUOCR-JOCHJYFZSA-N 426.973 4.608 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(C)CCCS1 1705623327 NWXIQWBRIHOQJY-QHCPKHFHSA-N 444.670 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1705677826 DBVGMLRUMOQVMG-IMRHEYAYSA-N 445.032 4.767 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1705694915 UMRDSYKEINFVCT-NMLBUPMWSA-N 442.608 4.663 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nccc(C(F)F)n1 1705711117 BALOFGFXBPVKJX-UHFFFAOYSA-N 438.526 4.926 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@]1(C)OCCc2sccc21 1705713578 LSSQINFYWMVWSI-XMMPIXPASA-N 438.597 4.906 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC2(CCC2)C1 1705758612 AVLBTUUXQICWBC-UHFFFAOYSA-N 437.769 4.753 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](F)COC)CC1 1705764614 GEWBOSXSGGFJNM-AWEZNQCLSA-N 443.748 4.502 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705785199 ZLVGJOKQMUWEST-HSZRJFAPSA-N 437.632 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(C=C)cc1 1705836074 DKKMRHOQRUMRFI-UHFFFAOYSA-N 426.362 4.554 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cn3ccccc3n2)n1CCC(C)C 1705861222 XWOHGHDJDXEVOA-UHFFFAOYSA-N 439.567 4.627 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)N(C)C1CC1 1705870511 JYTWXQHECVWTKE-HNNXBMFYSA-N 448.384 4.508 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1csc(C)c1 1705877820 FBRKODQPIJNHOV-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1705949068 NJTKQICNFWAUJE-VXKWHMMOSA-N 442.629 4.541 30 10 IJEE Cc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN(C)C(C)C)c2ccccc2n1 1707271529 FFTYYKJVUVXGFD-SANMLTNESA-N 445.615 4.662 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1722455467 UGCQHQNVNDPDKA-MRXNPFEDSA-N 441.988 4.566 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1722465567 OEIMFYSSTKXIRF-CTNGQTDRSA-N 426.630 4.801 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(OC)C1 1722528072 FULFIEAANOWAEP-NRFANRHFSA-N 439.387 4.850 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722602371 YQUHVXYAVXHJJU-IBGZPJMESA-N 445.007 4.977 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nc(C2CC2)cs1 1722632342 PCKBDHQOVWKTJS-UHFFFAOYSA-N 448.365 4.851 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)c1nc(C)cs1 1722633942 HMMJSDVHYBOKML-OAHLLOKOSA-N 427.574 4.543 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C)C1CC1 1722646114 DGPLIAPPJPSTEE-NPPFBWRTSA-N 428.552 4.773 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722684588 GGJZEARMBGZXCG-OAQYLSRUSA-N 437.632 4.867 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](N3CCCC3)C2)cc1 1722704088 BSIMZAXBEMVYTK-QFIPXVFZSA-N 437.632 4.544 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722737628 NDOVFNPQIDEMMA-DEOSSOPVSA-N 439.629 4.987 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1722739072 DYXORGIRMVJVBO-HXUWFJFHSA-N 426.630 4.530 30 10 IJEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2C[C@@H]2CCCCC2(F)F)n1 1726023870 DWYUUOBZUCDDNL-FQEVSTJZSA-N 447.578 4.731 30 10 IJEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](SC)C(C)(C)C)cc1 1730069941 DEQKLBRRKPFKNE-FQEVSTJZSA-N 427.618 4.861 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(Br)o1 1740569881 RTIFHEBKXQYHQV-UHFFFAOYSA-N 443.345 4.749 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC([C@@H]2CCCO2)CC1 1740588376 RIDNAUVVHQVZNT-FQEVSTJZSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC=C(Br)C1 1740588845 HGMDNWWGOTWABB-UHFFFAOYSA-N 438.329 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740750372 BNTKSOMLXWEBSP-JBACZVJFSA-N 430.980 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1740751974 QIZQWFYXMAWFRB-NBYUQASBSA-N 429.634 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccs1 1740773924 HLBIXIZJKDQXLM-UHFFFAOYSA-N 445.633 4.905 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](OC)C(C)(C)C1 1740807892 RFTWMQHUFPEYDA-HXUWFJFHSA-N 442.947 4.731 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@H]2C[C@H](F)C2)CC1 1740842442 ZURMNPWNRYJQQB-MXVIHJGJSA-N 428.552 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(Br)c1 1740846298 UNLPLDMXMXDKJS-UHFFFAOYSA-N 441.377 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1740847828 VGHNRYWNQKICCK-IBGZPJMESA-N 432.515 4.937 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 1741301412 GYIHUKOPDXAQQZ-OAQYLSRUSA-N 436.387 4.789 30 10 IJEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1[C@@H]1C[C@H]1C(C)C 1741474052 CILMHJNNGFEAER-GHTZIAJQSA-N 426.996 4.545 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCc1ccccc1 1748701305 GIQZIFBAGZWILW-UHFFFAOYSA-N 440.389 4.908 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1cccs1 1748735147 PLPGXXYIEAATFN-AWEZNQCLSA-N 432.391 4.718 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(OC2CCCC2)nc1 1748771947 LRSAXEJVVDAMPU-HSZRJFAPSA-N 429.568 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[C@H]1C[C@H](F)C1 1748775014 BRHNBEWSVUWFMQ-MQMHXKEQSA-N 425.733 4.569 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1748780527 ANHQNTXYIKBRJI-HXUWFJFHSA-N 444.526 4.637 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1=CCCCC1 1748828750 KTKAFCMYIRLVIX-UHFFFAOYSA-N 427.577 4.950 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCSC(F)(F)F 1748917923 QLWBLWJOMHOHRS-UHFFFAOYSA-N 447.324 4.729 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1749119404 RMRYSJAQIDIJTA-QIYLELGZSA-N 430.618 4.801 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1ccc(C)cc1 1749120487 DXVMLBAHZGLVBI-NFBKMPQASA-N 436.556 4.651 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCC 1749136706 QRPMGEWDHWLZMA-AUSIDOKSSA-N 426.605 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccncc1Cl 1749152676 CCMXTHUPKROLHY-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1749293935 YPUNJCXVNHNUJS-SFHVURJKSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749357013 GPMVNVCIEXIMFG-HKUYNNGSSA-N 444.023 4.882 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1749390664 HBYJHJVXILTSMW-FXAWDEMLSA-N 428.556 4.687 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 1749460642 DSZIMTUZWHRAGT-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCSC1 1749471628 RNICFSMLNZYJDW-ZDUSSCGKSA-N 425.371 4.612 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCCCCC1)C1CC1 1749510672 OFOILPJOZUXQNV-UHFFFAOYSA-N 432.515 4.787 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1NC(=O)OC(C)(C)C)C1CC1 1749514450 CQMQYKCZZYSYBA-UHFFFAOYSA-N 448.571 4.834 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1Cc1csc([C@@H](C)OC)n1 1749539300 YDVFZENTDJFVMX-GOSISDBHSA-N 446.580 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)SC 1749548887 MZKSUXGBKQYMRN-HNNXBMFYSA-N 429.571 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Br)cc2)n1CCCOC 1749548992 OMCWQSJILZNBCU-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](C)C[C@@H]1CC 1749652780 SIOYSRVTIBXBLW-CABCVRRESA-N 444.004 4.740 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)C1 1750830691 GFPWIWQCVINIHH-CTNGQTDRSA-N 443.039 4.629 30 10 IJEE C[C@H]1C[C@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCCCC2)C1 1752011737 FQCDPPVRCSBTHX-SFTDATJTSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CCC 1760103356 DFRKEJNZFWRFBF-TZIWHRDSSA-N 439.673 4.998 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](COCC)C1 1760129969 BTWITLPRSBIOBO-OAQYLSRUSA-N 431.584 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1(COC)CCC1 1760290172 YCUCZQHNPHYSNN-NTKDMRAZSA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H]1CC[C@@](C)(CC)O1 1760298242 YZEVLFSFFIENHH-LPPUWEFUSA-N 436.600 4.759 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC1CCCC1 1760320495 XWPKMBDENNLBTG-WMZHIEFXSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1760340788 ODNQRDLLYDELTQ-VQTJNVASSA-N 429.584 4.519 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(C)CCCO2)CC1 1760385418 QGEZGVSDYVRMLC-NRFANRHFSA-N 431.378 4.742 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1760398497 APQVKDQDVUBZEG-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1760410597 KJAAIVAMVSOAIO-FQEVSTJZSA-N 446.599 4.522 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)c1ccccc1 1760418598 VKQZOIBCVYFFDS-QHCPKHFHSA-N 435.616 4.612 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760443592 JNRDEFXUOSKNFX-SFHVURJKSA-N 448.036 4.543 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1C1CCCCC1 1760467315 XMBNYGICJNYSEA-HSZRJFAPSA-N 437.632 4.893 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760565165 PHLZXSBEEASGER-NRFANRHFSA-N 431.694 4.947 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(OCC(F)(F)F)cc2)o1 1761745773 APUQXOJMXFIPHR-UHFFFAOYSA-N 445.445 4.576 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C1 1768165897 HLEIDFJEHRRUBH-XMMPIXPASA-N 435.597 4.861 30 10 IJEE Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)ON1C(=O)c2ccccc2C1=O 1772789928 HQUREVJJMNAODR-UHFFFAOYSA-N 432.379 4.505 30 10 IJEE Cc1cc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2F)ccc1Br 1860731303 KFMHZNMRZWNQLS-XVNBXDOJSA-N 441.094 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862433204 XHAXWKQPHPGCOZ-ORAYPTAESA-N 432.303 4.751 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862444926 KBKFUZKSONOPQD-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862452984 OMSCIRPHUMUKGP-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccncc2)c1 1862493311 MQQNJEUFVITJGI-XMMPIXPASA-N 442.515 4.876 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862521361 GQHPXUJZJPENDE-XMMPIXPASA-N 448.563 4.846 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862563221 YDJJPWVZVZUABA-LJQANCHMSA-N 449.334 4.579 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862660168 GBMVCVDNFJIECB-JOCHJYFZSA-N 440.971 4.993 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1C 1862880953 TYQUTTSOHBKANG-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1 1863146210 QKRAOTDJCVIGLL-MRXNPFEDSA-N 441.462 4.659 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCOC)=C(c2ccc(OC(C)C)cc2)C1=O 1863695777 YXTQTVOPZAFMMW-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)nc(C(C)C)n1 1869091962 ZJDNBALVXPDSBG-NRFANRHFSA-N 434.584 4.947 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)Cc1ccccc1 1870142941 OPJRDSZFPLBIDT-UHFFFAOYSA-N 443.894 4.553 30 10 IJEE C=CCOc1cn(CCCOCC)c(CNc2ccc(Br)cc2C)cc1=O 1870810101 LVUIKRJAQJHTEM-UHFFFAOYSA-N 435.362 4.523 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871029196 MXRYAABAGTUDFF-UHFFFAOYSA-N 440.584 4.912 30 10 IJEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCCO)c1 1871254957 NBYSVCJLOZHRRC-UHFFFAOYSA-N 445.563 4.772 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872297336 DLHQHHADJMEJMD-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872502028 POZTZTGKVRIOSS-NRFANRHFSA-N 428.598 4.823 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872549298 CBBNKBXMFCAKOK-NRFANRHFSA-N 434.989 4.797 30 10 IJEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1872759423 NZPCYNMZELKKLI-JKNJVXJCSA-N 435.461 4.625 30 10 IJEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 1872846993 YBXZMMBDCQDCMZ-UHFFFAOYSA-N 426.560 4.952 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OC(C)C)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330604 LTDBYTVKYYYEIR-UHFFFAOYSA-N 432.520 4.555 30 10 IJEE CCOc1cc(/C=N/n2c(CCCOc3ccc(CC)cc3)nnc2SC)ccc1O 1874223584 TXHCVLDZDSWLTK-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE CCCOc1c(/C=N/n2c(Cc3ccc(OCC)cc3)nnc2SC)cccc1OC 1874302079 GSAWUCAECCYHKN-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874429744 ZLJCLLFRZXFWHF-DHRITJCHSA-N 447.564 4.610 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874445873 NFJRYUSNFUWWOY-IYHCKTHZSA-N 437.525 4.829 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccco2)c1 1874463775 AOUJOKDJUZQMGJ-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccccc2OC(C)C)c(C)c1 1874534148 UFUWLFUAFKYUBH-ZMOGYAJESA-N 437.569 4.604 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c(C)c1 1874574196 ZZOVOEWLNUBHRX-VMPITWQZSA-N 446.341 4.567 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCC(=O)NC1CCCCC1 1874605388 NTTKPZGXJYWBCU-WYMLVPIESA-N 437.536 4.818 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C 1922117659 BUZHBFZKCVWRMC-JYFHCDHNSA-N 446.632 4.934 30 10 IJEE N#CCc1ccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 1963535353 GMRONVVHTNCJGO-UHFFFAOYSA-N 437.499 4.762 30 10 IJEE CCCN[C@@H](CC#C[Si](C)(C)C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1987480427 UETYJWZZBFSLHH-VXKWHMMOSA-N 432.681 4.736 30 10 IJEE CC(F)(F)C[C@H]1CSC(=NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)N1 2003586212 DBULDUZVOBEGES-NRFANRHFSA-N 445.579 4.564 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C#N)(c1ccccc1)N(CC(F)(F)F)C(=O)OC(C)(C)C 2020672899 YVCXJKSEGFEZRP-HXUWFJFHSA-N 443.466 4.730 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1 2037223343 IFAUAROKOMUGIE-IECBHUPTSA-N 443.544 4.728 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)c(C)c1 2079061017 QQKMNLXIHSVMEO-ZTBJCTOSSA-N 449.336 4.964 30 10 IJEE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(C#N)c1I 2080001628 LKMOPUFZJPKKFQ-OAHLLOKOSA-N 435.309 4.733 30 10 IJEE Cc1ccc(Cn2nc(C3CCOCC3)c(C#N)c2Br)c(Br)c1 2080340746 HFRJHQIVVHJNLF-UHFFFAOYSA-N 439.151 4.531 30 10 IJEE N#Cc1cnc2c(-c3ccccc3I)c(C3CCCCC3)nn2c1N 2081492105 IUXOJGYDJBJKFZ-UHFFFAOYSA-N 443.292 4.502 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(CC)[nH]c1Br 2087656655 AQMJJZGZFRRVQB-UKRRQHHQSA-N 429.403 4.635 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c1 2124522803 XXACZLSJVKUZKP-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1cc(Br)c(C#N)cc1F 2174813550 XSHWXDZWOSWSIV-BLLLJJGKSA-N 440.357 4.978 30 10 IJEE CCN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1CCN(Cc2ccccc2)CC1 2219967906 NOGDRALNAOHANQ-UHFFFAOYSA-N 440.462 4.534 30 10 IJEE CCN[C@H](C#Cc1ccc(C)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2223361344 SNDLNWOCRSHGHR-GPUOULLFSA-N 436.596 4.823 30 10 IJEE N[C@@H](C#Cc1ccc(Cl)cc1)c1cc(Br)ccc1I 2231095065 OBZHXLAGISTVEO-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2235736716 ZWSOWLAAGKYYLH-AZUAARDMSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](O)(C#Cc2ccccc2Br)C[C@H]1C1CCC1 2235744136 OIXBURDWWGADEC-SIKLNZKXSA-N 434.374 4.731 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(CC)n2)CCCN1C(=O)OC(C)(C)C 2272238793 PQHGOSJXSWYQFK-IBGZPJMESA-N 426.355 4.526 30 10 IJEE COc1cc(C=C2SC(=Nc3ccc(C)cc3)N(C)C2=O)cc(Br)c1O 2293509192 NLQQNQDQZOBFMZ-UHFFFAOYSA-N 433.327 4.706 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@@H](N)C#Cc3cccc(Br)c3)(CC1)CC2 2296216112 HLYPQJWOCYQMMJ-XTWGIRIWSA-N 433.390 4.746 30 10 IJEE CC1(C)CC[C@](O)(C#Cc2cccc(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2296221559 JUUFAVVOYVHFJN-HTAPYJJXSA-N 436.390 4.883 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CC[C@@H](C)C1 2296223569 BGJTZELWMGIDNO-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(O)(C#Cc3cccc(Br)c3)CC2)C1 2296224780 NWGALPHRUIXERR-UHFFFAOYSA-N 434.374 4.733 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2296228738 BSGXILJOHOKMDI-OALUTQOASA-N 433.390 4.711 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@H]1c1ccccc1F 2297734986 BJLLZWPJIUJHLI-QHCPKHFHSA-N 443.430 4.706 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CCC 2305399608 HIXVSJCFKGTVSU-BWKNWUBXSA-N 430.589 4.945 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN(CCc1cccs1)CO2 2322197068 GISOCABPRWZIEI-UHFFFAOYSA-N 448.500 4.976 30 10 IJEE CCCOc1ccccc1C=NNc1cnn(-c2ccc(C)cc2)c(=O)c1Br 2322634577 KYWZYTWOVMRMHQ-UHFFFAOYSA-N 441.329 4.538 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc3C2=O)cc1 2322901524 GFHIIGWTYNLDLY-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)cc1OC 2322904456 BGSWCPFBDOGGNF-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)cc(OC)c1OCCCO 2322924875 OMRNDPABGKIGDJ-UHFFFAOYSA-N 425.308 4.976 30 10 IJEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c(OC)c1 2324464998 JGPYSNPSJSAZDC-QGZVFWFLSA-N 426.444 4.995 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325723431 PTHYBSVPMPERBZ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1O 2325961354 QFXGSUHUDLVIJW-UHFFFAOYSA-N 431.359 4.721 30 10 IJEE Cc1ccccc1C=Nn1c(CCCOc2c(C)cccc2C)nnc1SCCCO 2326401233 GJKQLFQEIXOMRW-UHFFFAOYSA-N 438.597 4.572 30 10 IJEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)ccc1OC 2326733484 BIGCUNXVFKGBEP-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCC)cc1OC 2327540968 PEQWODFDJCOBDB-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE CC(C)(C)N1C[C@H](c2nnc(SCc3ccccc3)n2N=Cc2cccs2)CC1=O 2327866038 CPMRCXALUXZEJR-QGZVFWFLSA-N 439.610 4.629 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1O 2328799905 PEKHVNWBPKTXKZ-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCCO)cc1 2329772912 XZAKGZOLZFZKFQ-UHFFFAOYSA-N 442.560 4.544 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(O)cc1 2330566475 DOOOVPWZTUBHCG-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE CCCSc1nnc(-c2ccccc2)n1N=Cc1cc(Br)c(O)c(OC)c1 2330683367 VEELREKKHBYQHU-UHFFFAOYSA-N 447.358 4.806 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c1 2331115860 CCTFCXLVERKPLO-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccccc1F)c1ccccc1 2331228710 KDQFRTIFUHQTEF-INIZCTEOSA-N 449.511 4.529 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(O)cc1 2331320413 LEBLHIFXTHQUNT-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE Cc1cccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)(C)C)c1 2331403906 RLZWVLUEINCSTA-UHFFFAOYSA-N 432.553 4.707 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(Cl)cc2)o1 2331512886 YVSHLQNKYNPNAY-UHFFFAOYSA-N 430.917 4.753 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578698 KUDIKBMDZLKMQM-JKIKYLSZSA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339595998 GFHMRRVITSUITJ-QTLHYBLBSA-N 447.360 4.534 30 10 IJEE CCCN[C@H](C#CC1CC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362736313 HYLUBBYELZSDJD-UXHICEINSA-N 435.406 4.667 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1ccc(OCC)c(Br)c1 9697069 HRXVWOUSUNGRGZ-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cccc(OC)c2)c1C 32971754 PZLUREFFNQIQLT-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE N#C[C@H](C(=O)c1cccc(I)c1)c1ccc(Br)cc1 37344948 FFFQVXLFABASBK-AWEZNQCLSA-N 426.051 4.544 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 39754473 KKQUSEMKASCJNE-FMCGGJTJSA-N 433.416 4.807 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(C)cc2Br)n[nH]1 59890771 AUYNBCCMXNRFDY-CIAFOILYSA-N 439.383 4.584 30 10 IJEE CCCOc1ccc(/C=N\Nc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)cc1Cl 169895223 AEDSXZCCCOYNRG-MSXFZWOLSA-N 447.322 4.783 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953391 FSBUOEKDLPHRQW-DEOSSOPVSA-N 442.515 4.934 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccc(O)cc1 169961159 OYEKFPCEXHLBQB-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccn2)cc1Cl 169996443 ZFUODXXJEUZBEN-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(OC)cc1 170116788 BPCYDXOXIVGLIN-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccn2)cc1 170171372 DPKZREQJIYYULC-QHCPKHFHSA-N 444.487 4.605 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170250255 RBRINFPIXGNFIU-WMZHIEFXSA-N 431.463 4.736 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)c1 170274662 HKQAVOVEBSFUEG-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)cc1 170291145 WLNJBWQYJCCLHV-DEOSSOPVSA-N 443.499 4.946 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1sccc1C 170317799 PILOUORGYKYGLH-HXUWFJFHSA-N 443.565 4.803 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 170425141 UARQNFNKWWGZTA-HXUWFJFHSA-N 432.501 4.952 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 170438517 FNKBCWXZRVDZKA-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)NC2CCCCC2)cc1 254669403 RPXKKTLDVNCYKI-UHFFFAOYSA-N 433.581 4.679 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]2CCC[C@H]21 460949806 CTHSYVHYIZMPQR-GHTZIAJQSA-N 432.572 4.581 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 505882630 HNGCUXWUDNQDHL-UHFFFAOYSA-N 442.335 4.573 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(COC)CC1 508730045 MLHXIEIRXRYZCZ-UHFFFAOYSA-N 436.531 4.712 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 508874016 PMGGCTGQBSTHKV-HYBUGGRVSA-N 448.567 4.807 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 508937153 BSJTWPOZEKDZQH-UHFFFAOYSA-N 446.942 4.511 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1Cl 517597954 DMOOUXSXKODMIN-JTHBVZDNSA-N 444.922 4.922 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC 551021122 XJBOKILYXAWXAP-UHFFFAOYSA-N 437.945 4.788 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCOC)Cc1scnc1C 564379993 VOBPSUACSPAZPE-UHFFFAOYSA-N 438.384 4.856 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2oc3ccccc3c2C)C1=O 734300064 KHGAXPHJHFLCFV-OAQYLSRUSA-N 435.549 4.626 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 743809909 MWHHWWDJYOORCL-SFHVURJKSA-N 425.533 4.502 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CCC(c3ccccn3)CC2)c1=S 753971768 IZCMMRNAUODKFR-UHFFFAOYSA-N 439.560 4.550 30 10 IJEE N#Cc1ccc(F)c(COC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 767506861 OUECXPBDQVULRA-UHFFFAOYSA-N 440.500 4.890 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 829354493 RCHNBGZJNFRCPI-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE Cc1nc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)sc1SCC#N 1125177436 AGNXPRUKSJLTCC-UHFFFAOYSA-N 426.361 4.626 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 1134658623 KBCMBGZDPZYLSQ-HKBQPEDESA-N 442.581 4.949 30 10 IJEE COc1ccccc1[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 1136728420 ALRKUZVZLLUQEU-AREMUKBSSA-N 427.504 4.581 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1141315531 FQDYIZYAGLWWNQ-UHFFFAOYSA-N 440.590 4.994 30 10 IJEE C=CCn1c(SCC(=O)N(OC)[C@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 1150312910 FZXGLNWAOYCQBX-GFCCVEGCSA-N 429.373 4.719 30 10 IJEE CC#CCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1152689319 LOZARZKVLVVVIF-UHFFFAOYSA-N 426.582 4.545 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 1167291438 MZEAWJQWEASRCZ-MRXNPFEDSA-N 425.386 4.861 30 10 IJEE C=CC[C@H]1CCCN(CC(=O)Nc2c(Br)cc(C)cc2Br)C1 1171848086 XXDNSHCWUQZSPQ-ZDUSSCGKSA-N 430.184 4.747 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2c(F)cc(Br)cc2C1 1192185120 WIPWBFBFUYESRK-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE C#CCN(C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CCOc2ccc(Br)cc21 1210577203 JCBLCUPSQTYONZ-GOSISDBHSA-N 444.285 4.657 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1214807758 GRPIHDIKEGOBAU-USJWYILFSA-N 446.617 4.536 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1)c1ccc(Cl)cc1F 1252479704 ROCACEHRCZTEEI-KSFYIVLOSA-N 425.935 4.779 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1253982743 RFESZQBFLVRDOO-LJQANCHMSA-N 433.568 4.949 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 1264281055 QXPVJKIZBFPJGR-KRWDZBQOSA-N 426.362 4.845 30 10 IJEE CC1(C)CC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)c2ccccc21 1266261232 HHTMJVJDFRCMRB-HNNXBMFYSA-N 427.342 4.671 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H](SC)C(C)(C)C)nnc1-c1ccc(Cl)cc1 1268994424 FEVWQEAJCWQBQF-MRXNPFEDSA-N 439.050 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(CC)C(C)C 1286517232 DXITXDWPQMMVBC-UQBPGWFLSA-N 439.673 4.854 30 10 IJEE 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1508005518 XSHQZYAUBGEWHJ-QHCPKHFHSA-N 430.600 4.573 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1508010342 RBKMOEKRPCDBJW-WFXMLNOXSA-N 442.526 4.791 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc(Br)ccc1Br 1516954354 FMFFLCLMWHFGOP-LBPRGKRZSA-N 436.147 4.578 30 10 IJEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1517200516 HNNINVXVQNVTNP-MSOLQXFVSA-N 433.478 4.869 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1OC 1520348921 HLNVODVLIBYHDM-TWGQIWQCSA-N 434.883 4.623 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)nc3O)CC2)cc1 1520353278 SSAGUSYBZOROMK-UHFFFAOYSA-N 433.895 4.663 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 1524111002 HNBDGTGJKMRYHU-FTJBHMTQSA-N 437.543 4.539 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccccc2OC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1525737740 BQOTUQZCCLAJKH-NRFANRHFSA-N 442.478 4.590 30 10 IJEE C=CCOc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)cc1 1526403733 XLTHAZKRPKQUGQ-NRFANRHFSA-N 430.342 4.769 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2CCC(N3CCC(C)CC3)CC2)s1 1526658285 HZNZGIQFRZPZBH-UHFFFAOYSA-N 442.094 4.998 30 10 IJEE C=CCN(C(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)[C@@H](Cc1ccccc1)C(=O)OCC 1529014109 AZMDPQQCPCFZPX-XXBNENTESA-N 448.567 4.513 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)c1ccccc1 1533766059 HDCAVDFECMAZOA-NRFANRHFSA-N 432.973 4.707 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](c1ccccc1)N1CCCCC1=O 1535432942 JFEMTOAFIWUXGK-NRFANRHFSA-N 443.341 4.706 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)cc1 1538669921 DKLCEXFQUHFBTE-HSZRJFAPSA-N 431.536 4.713 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1CC(OCC)C1 1538975075 XHWVJVGMWUXAID-WVNPWQTNSA-N 430.980 4.735 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1539052927 KDOOUMIWPOAMSC-FGZHOGPDSA-N 449.624 4.966 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCc2cccnc21 1539148292 OIBWDWZGRHJQGK-MJGOQNOKSA-N 435.959 4.656 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1Cc1c(C)sc(C)c1Br 1539161163 BIDYSBGHOLVMOL-UHFFFAOYSA-N 445.386 4.512 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1ccccn1 1539299306 GKGWTIPSVQPVKY-UHFFFAOYSA-N 445.979 4.914 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)OC(C)(C)C1 1539499131 FGOSRNURJOVSNL-KRWDZBQOSA-N 444.670 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCCN1CCC[C@@H](C)C1 1539558113 ARAURQLUAPHMBN-QFQXNSOFSA-N 437.607 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)C(C)C 1539567477 XNFUWTPVXPMLAE-CLJLJLNGSA-N 438.616 4.554 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(Cc1cccc(F)c1)C(C)C 1539627671 KUBGJYYHAJHKRH-JTHBVZDNSA-N 435.547 4.875 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(n2ncc3ccccc32)CC1 1539750958 YAXIEQJRMKVCDI-UHFFFAOYSA-N 436.604 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(C)(OC)C1 1539906049 IIUDMIMJOLBRQM-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@]1(OCC)CCOC1 1539931167 HOVXBAWQIVYXJM-DEOSSOPVSA-N 445.007 4.749 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1539946559 CAPHNTJZCPEKRP-LEWJYISDSA-N 439.604 4.646 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1nccnc1C)C1CC1 1540094145 CULLOMHQTGYEHY-QGZVFWFLSA-N 438.963 4.567 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@H]1C 1540128636 NZQXPLMCJAJAAL-FQRUVTKNSA-N 433.600 4.626 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C)c(C)s1 1540154671 AMPDZIHOCHZXAV-MRXNPFEDSA-N 427.549 4.857 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccncc1Cl 1540180623 RPLUVTSVUGBBSQ-OAQYLSRUSA-N 437.975 4.504 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1540470806 FKPQXACOTDTMCQ-QFIPXVFZSA-N 434.337 4.625 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1csc(CC)n1 1540855514 XVQJTXPOGBGCCV-UHFFFAOYSA-N 432.391 4.857 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCC(=C)C)C1 1540885831 PUKRKKHJXQODBU-UYAOXDASSA-N 442.629 4.505 30 10 IJEE CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1541548004 CILHBHPOADSNFW-NRFANRHFSA-N 434.632 4.954 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cccc(Br)c1 1542501013 CKFRHFNUFDBSDM-YJBOKZPZSA-N 439.394 4.746 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCC1(C)C 1543401753 IDAKZJNTNUXISN-FQEVSTJZSA-N 448.571 4.796 30 10 IJEE C=CC1(CC(=O)NC2(c3cccc(Br)c3)CCC2)CN(C(=O)OC(C)(C)C)C1 1544087806 PPYQERBDWRNLGM-UHFFFAOYSA-N 449.389 4.758 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1cccc(C(F)(F)F)n1)C(C)C 1547351268 DLSCEEBWHXAUEU-UHFFFAOYSA-N 444.461 4.544 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CCc3ccccc3)CCC(C)(C)C)ccc2c1=O 1558109141 RFQWYFCHZIFJLT-UHFFFAOYSA-N 449.620 4.992 30 10 IJEE COc1ncc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cc1Cl 1559349580 CUECPGODDJNCNB-UHFFFAOYSA-N 434.908 4.607 30 10 IJEE CC[C@@H](CC#N)NCC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 1559892859 BPBYLLDBGLRWPX-QFIPXVFZSA-N 427.552 4.638 30 10 IJEE C=CC1(CC(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1583091966 HHLXRUWKOUVBPR-GOSISDBHSA-N 430.589 4.681 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2scnc2Br)n(-c2ccc(C#N)cc2)n1 1587211475 BHSPKKVMULQLBZ-UHFFFAOYSA-N 430.331 4.513 30 10 IJEE Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1S(=O)(=O)Nc1ccccc1Cl 1587604663 BXUBICMMAQOCCD-QFIPXVFZSA-N 443.956 4.862 30 10 IJEE C#CCCCCn1c(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nnc1C(C)(C)C 1587793116 HINYLCUWBWHKNK-IBGZPJMESA-N 432.515 4.558 30 10 IJEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1589096396 BNFYIYMMSQWOSK-GGAORHGYSA-N 438.641 4.597 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1594241297 LNTLNKMTNHPZLC-UHFFFAOYSA-N 433.641 4.963 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1594492179 UMRJXTKTFVGXDF-RTBURBONSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1594743943 FYZGRPNREKKDDK-GOSISDBHSA-N 426.590 4.787 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCCOC 1594907687 XELWLBBIZPTZRG-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1C[C@H](C)O[C@@H](C)C1 1595120631 XCSVZYCENIJJIC-VXKWHMMOSA-N 448.615 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCCc1cnn(C)c1 1595149908 XZUWHERUZLFFDV-UHFFFAOYSA-N 432.597 4.874 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl 1595452171 WLOOGJWIRFXTPL-ZMZPIMSZSA-N 431.813 4.915 30 10 IJEE Cc1csc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)n1 1612371391 HJGNSACOMCHTJK-SFHVURJKSA-N 436.585 4.588 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(OC)C2CC2)CCS1 1613727553 GJEFKMZYKGFWKX-QHCPKHFHSA-N 439.629 4.744 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1cc(Br)ccc1I 1622947776 KZMLQBXANZPMJP-SNVBAGLBSA-N 437.119 4.920 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC1(c2cccc(Br)c2)CCC1 1623170173 BSALAWUGRNDSHW-UHFFFAOYSA-N 431.305 4.844 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 1624572695 GDBYEMQGQWCYJI-SFHVURJKSA-N 442.268 4.633 30 10 IJEE C=CC[C@H]1N(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCC1(C)C 1626454428 OJRYRVBYRHDTML-JOCHJYFZSA-N 444.572 4.762 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(Br)ccc1F 1627702304 FPJIFXMPOACKMM-KRWDZBQOSA-N 443.357 4.796 30 10 IJEE C=CC(C)(C)CCNC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1628840657 ZBKRDOFVSXKNGK-UHFFFAOYSA-N 440.554 4.509 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)cc2)cc1 1631635737 ACZSFQFXQNQZOA-AREMUKBSSA-N 426.516 4.958 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1)c1ccccc1 1636573349 HZLHIRSMPCGKLD-XMMPIXPASA-N 432.545 4.599 30 10 IJEE C=CCCSCCNC(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C 1636687448 WOQIMPYVYDATNS-LJQANCHMSA-N 433.618 4.742 30 10 IJEE C#CCN(CC)C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1638409356 JDFYGURMILPROP-UHFFFAOYSA-N 432.973 4.579 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 1639831887 NBHMESJXTPDKLX-UHFFFAOYSA-N 437.912 4.861 30 10 IJEE C#C[C@@H](NC(=O)c1cc2cccc(C(F)(F)F)c2nc1O)c1ccc(Br)cc1 1641520899 HZJNBCBYXOMACE-MRXNPFEDSA-N 449.226 4.826 30 10 IJEE Cc1ccccc1C[C@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1641807033 CWSJYGGSDWJXHV-RUZDIDTESA-N 440.591 4.979 30 10 IJEE C=CC1(CC(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)CN(C(=O)OC(C)(C)C)C1 1641907239 DLJRKWJAFGIQAB-UHFFFAOYSA-N 438.490 4.520 30 10 IJEE C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccc(F)cc2C#N)CC1 1648066755 FVEPGRAPSYHNIU-AWEZNQCLSA-N 445.420 4.649 30 10 IJEE CCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccc(Cl)cc1 1652845277 AOZXSMVVQBNUCW-UHFFFAOYSA-N 433.339 4.544 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](c2cccc(Br)c2)C1 1653649149 MZUXSWDIZRMOHC-AEFFLSMTSA-N 433.415 4.903 30 10 IJEE C=CCn1c(SCC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)nnc1-c1ccc(C)cc1 1656403192 MDLVQKYXUDTRKR-UHFFFAOYSA-N 438.553 4.536 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCC1 1657622047 GTZVSRUHAABDRK-UHFFFAOYSA-N 433.618 4.899 30 10 IJEE C=CCOc1cccc(CNc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)c1 1658567157 NENQAIJZMDSICG-DDLLOKISSA-N 440.609 4.967 30 10 IJEE C=CCN(CCC#N)CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 1658767356 KTSASTWNDGNDOO-UHFFFAOYSA-N 431.945 4.585 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 1658979801 PXRVPMSGFLQXFC-UHFFFAOYSA-N 449.473 4.890 30 10 IJEE CCc1cc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)nn1C 1661515220 GKBDFKOMUCAGIL-UHFFFAOYSA-N 434.447 4.564 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 1666791290 DDLVRDMVRASCSD-UHFFFAOYSA-N 435.568 4.941 30 10 IJEE CC(C)Oc1c(Cl)cccc1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1667058493 GBVJJNDYZWYRAM-UHFFFAOYSA-N 426.948 4.785 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1 1668075272 WROXKWOBGYDSKZ-UHFFFAOYSA-N 443.219 4.681 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)c1ccccc1 1669436877 LSGVWSPKKIUCFZ-OAQYLSRUSA-N 434.517 4.769 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)Nc3cc(F)ccc3Oc3ccccc3)CC2)cc1 1674228896 HIMSTUZTXQCRCZ-UHFFFAOYSA-N 430.483 4.839 30 10 IJEE COc1cc(Br)cc(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 1675716372 IEJXDPJUJBOPGK-UHFFFAOYSA-N 446.692 4.812 30 10 IJEE C#CCN(C(=O)NCc1ccc(COC2CCOCC2)cc1)[C@@H]1CCCc2ccccc21 1679322492 WKQJIFLWYSRMCS-AREMUKBSSA-N 432.564 4.605 30 10 IJEE C#CC[C@@H](NC(=O)NCc1ccc(Br)c(Br)c1)c1ccccc1 1680514625 AOLQJBBYLOYETJ-QGZVFWFLSA-N 436.147 4.775 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)C)CC1 1689876967 NNLKISPWWJCLCU-HSZRJFAPSA-N 437.632 4.759 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(CC)s1 1690033053 PDEOOGOFPOLOJE-SFHVURJKSA-N 436.556 4.692 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CC(CC)(CC)SC 1690090011 SOPKCYNHFAQJNK-UHFFFAOYSA-N 425.577 4.974 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1690290675 VKRNJHVYNGVOST-UHFFFAOYSA-N 445.539 4.536 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)OC(C)(C)C1 1690334128 FEEYKDBQHGZMMC-NSHDSACASA-N 431.787 4.525 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690406763 RMTBTMOZPCGSQG-NRFANRHFSA-N 437.613 4.721 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@@H](CC)C1)c1ccccc1 1690444665 KOHJQQIMUAQBGV-GOTSBHOMSA-N 433.625 4.956 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690453857 LKTZGUPPLKOZMP-IBGZPJMESA-N 448.409 4.787 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1690456783 LPZVDTWESQPTIJ-DEOSSOPVSA-N 449.599 4.728 30 10 IJEE C=CCCCn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1690493781 SGHMUWGIKXRXHI-GAJHUEQPSA-N 434.531 4.761 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@H]1C(C)C)C1CC1 1690538145 BLEXNLGFYRDWHI-PXNSSMCTSA-N 445.405 4.924 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOc1ccc(C)cc1)C1CC1 1690539153 WHTHOXCTFKQFEL-UHFFFAOYSA-N 442.361 4.578 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@H]1C(=C)C 1690589954 HJTSHNBOWIUAHL-XLIONFOSSA-N 443.389 4.867 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1690655336 PJFOPJDWHSXNNR-MISYRCLQSA-N 448.970 4.753 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(Br)C1 1690736652 LFUBGKQEZNUPTO-UHFFFAOYSA-N 444.402 4.615 30 10 IJEE CCc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)C(C)C)cc1 1694511012 OGEJJBMFFFISMW-UHFFFAOYSA-N 444.583 4.725 30 10 IJEE COCC1(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1697803637 GCKSNFTUXRJVJX-IBGZPJMESA-N 446.599 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1CCC(OC)CC1 1705477442 OGOYKDYVDJQHNZ-JJYICEPISA-N 428.552 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccnc(SC)c1 1705483989 HESAXQFRRPJMCF-CYBMUJFWSA-N 432.380 4.875 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@H](c1ccco1)N(CC)CC 1705609011 NCIFJGGKQULXGW-JOCHJYFZSA-N 442.567 4.629 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C(C)(C)C)C1 1705666119 OVWWYOBUMLFBTQ-SFHVURJKSA-N 444.670 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[C@H](F)C2)CC1 1705777386 HGVCVGBNMNXBGB-RDJZCZTQSA-N 436.373 4.587 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1705784707 GDCICIRKFZNYNN-HSZRJFAPSA-N 441.595 4.519 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(N(C)C)CCCCC2)C1 1705917161 QXBXQQSBZBVTOW-NRFANRHFSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1705948840 GZIWYWGNVGXBGB-SFHVURJKSA-N 430.593 4.932 30 10 IJEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1706146028 CXMFHWBTXWWLGC-JOCHJYFZSA-N 434.632 4.955 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(O)cc1 1706462700 GMEUIIKRPYXTQR-FGZHOGPDSA-N 439.604 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCN(C(C)C)C1 1722282216 PNLOPPAWXJGLOV-AABGKKOBSA-N 439.673 4.710 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccsc1 1722373859 RPHDUVAIUIYFGA-SFHVURJKSA-N 438.984 4.871 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCOc1ccccc1C(C)C 1722398611 FGQQGVLJSGJVMI-UHFFFAOYSA-N 432.593 4.596 30 10 IJEE C#CCSCCn1c(N(C)CCCc2cc(-c3ccccc3)no2)nnc1C(C)(C)C 1722463989 ROPWZHSJYAXCKL-UHFFFAOYSA-N 437.613 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)c1ccccn1 1722498932 BEAZUWRHUQEZCV-UHFFFAOYSA-N 446.599 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(CCOC)c1 1722502633 OWJMBZYNHWYURD-UHFFFAOYSA-N 449.386 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1722585089 QOVPWGSIBQKBAV-RXVVDRJESA-N 442.629 4.720 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCC)C1 1722625030 JPKGFRUBQSZWRC-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1 1722653636 BKYLELJXNDCLPP-QHCPKHFHSA-N 449.624 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1sc(C)nc1C 1722663565 BGKBFNBFSFPGTB-SFHVURJKSA-N 429.615 4.895 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722683039 ACJDBZBKILPHOR-MRXNPFEDSA-N 449.393 4.686 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnc(C(C)C)nc2)s1 1724354974 FPUUFSTWQOQQGC-UHFFFAOYSA-N 443.580 4.785 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1740573714 AWVUTJAVSYUQHY-FCHUYYIVSA-N 438.572 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCCC1(C)C 1740728184 PYEKMPUYEXUCIE-DNQXCXABSA-N 442.991 4.540 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCOc1cccc(Cl)c1 1740733721 PISIXUIAPQGLGF-JOCHJYFZSA-N 426.973 4.655 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740741977 YGTNIJJCZLJMGQ-QGZVFWFLSA-N 433.394 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(OC(C)C)c1 1740760493 JDLHHGVSQIRYQM-URXFXBBRSA-N 426.605 4.881 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(SC)c(OC)c2)nnc1C(C)(C)C 1740766526 IKNKXYAMKCMTKJ-WIYYLYMNSA-N 444.645 4.924 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1740784115 KFRBPCAJWUYOQI-IBGZPJMESA-N 444.352 4.750 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1740834655 FMSJQOLEWVPSSZ-NRFANRHFSA-N 439.604 4.817 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@H](OC)C1 1740870221 KELGAOKRGNLYAE-HNAYVOBHSA-N 449.393 4.544 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1740912801 SJPASZICELRSEJ-SIKLNZKXSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccnc1OC 1740918397 IWXOCXJDCIOIDL-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1740928138 VPSZGTMNJWHLGE-UHFFFAOYSA-N 434.540 4.774 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2CCN(CCC)CC2)C1 1740977363 GFVUQKUBUVUIDC-FQEVSTJZSA-N 444.023 4.502 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CC2(C)C)C1 1740978448 VDDFCTNVDKCBSS-HZPDHXFCSA-N 431.378 4.535 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1741001416 UFSPSBSASNPZFF-UGKGYDQZSA-N 425.646 4.564 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@@H](C)C1 1748828780 LNKCGVCHHAHFSQ-UYAOXDASSA-N 429.593 4.886 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2sccc2C1 1749022423 JQIJCEPDUIWRPX-INIZCTEOSA-N 442.585 4.548 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749046615 CVGIFEDWYWERGO-HXUWFJFHSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)OCC 1749058474 JVOPGHIBBHHXTQ-AREMUKBSSA-N 448.567 4.924 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@H](C)C1 1749059038 UCSMQFIOZHURPH-STXHMFSFSA-N 449.418 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)c1ncc(C)s1 1749072467 OTFXHJCEJMNMIL-AVRWGWEMSA-N 449.624 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCCc1nccs1 1749078050 FACNLRCFMHHLHK-XMMPIXPASA-N 435.597 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749124372 NAKJEWYGWDGLNL-YBXDKENTSA-N 438.616 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@](C)(O)[C@@H](C)CC 1749150307 TWCCEUFWQBMFAH-KKSFZXQISA-N 435.410 4.907 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccccc1F 1749232267 IGNASOJHLSPESG-MRXNPFEDSA-N 429.565 4.563 30 10 IJEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1749271912 FGEMJRCQHZHPEZ-SFHVURJKSA-N 443.020 4.980 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@](C)(OC)C2CC2)CC1 1749329558 PAXWTEWNMIJZGQ-MZNJEOGPSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749370853 QWNNPSBDVFZALM-CRAIPNDOSA-N 440.485 4.766 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 1749392023 XVULVONYPHEOJR-FQEVSTJZSA-N 431.382 4.532 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1749402993 UIDKJJXMLUOTKX-FPOVZHCZSA-N 430.980 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C1CCCCC1)N(C)C 1749474026 IWASELVPACZINO-HXUWFJFHSA-N 432.012 4.740 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1noc2c1CCCC2 1749528425 OYWSMGNESVXVPT-UHFFFAOYSA-N 435.572 4.692 30 10 IJEE CC(C)C(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)C#N 1750075733 HHUWQAKWKIIADP-GOSISDBHSA-N 446.640 4.671 30 10 IJEE C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H](C)CC#N)c1nccs1 1751121537 BPXUHPWMKMEKPZ-BZUAXINKSA-N 428.537 4.556 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1coc(-c2ccc(C)cc2)n1 1760238812 LETILUHQXPDHLU-FGZHOGPDSA-N 447.583 4.668 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccsc1)N(C)C 1760239749 UMYODUDIIPQORZ-NRFANRHFSA-N 439.654 4.703 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](OC)C1 1760274543 POTKHAZVWXCKHB-HNNXBMFYSA-N 447.029 4.795 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1760314070 ISNNLEVJEWDBBZ-UONOGXRCSA-N 440.411 4.563 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1760348449 UHKPTJHVOCEYGL-UHFFFAOYSA-N 449.020 4.922 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](OC)C(C)C)CC1 1760384445 XWQYPYTTZZDWLO-IBGZPJMESA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)OC)C1 1760406879 ONUNAZRIKTZIES-IRXDYDNUSA-N 446.979 4.673 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760426591 XZPYCLVVLKEZBN-KRWDZBQOSA-N 446.521 4.856 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760433612 VALVHGHTKMPAHW-RBUKOAKNSA-N 438.551 4.641 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 1760453376 UTAHZKOQWIQACB-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1cccs1 1760457590 YOWZJEXUERTVGJ-QRQCRPRQSA-N 428.627 4.723 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1cc(C(C)(C)C)no1 1760504004 IPPLRHNUHVXLLG-UHFFFAOYSA-N 429.952 4.571 30 10 IJEE C=CCn1c(N(C)Cc2ccccc2SC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513027 GZZURZMULHCDNQ-HDICACEKSA-N 443.617 4.593 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760561129 QVTOKGXEIYUALI-IBGZPJMESA-N 433.021 4.771 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1760562227 BKJXVUKZKVRAMU-UHFFFAOYSA-N 427.524 4.707 30 10 IJEE CC(C)Oc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)CC#N)cc1 1761297033 FVLPWVFSDRHPTF-STZQEDGTSA-N 439.604 4.771 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1762462145 GFTZGVLWTCGJGC-WZOHSFFVSA-N 437.588 4.560 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1770402819 CLGXFOQAISZCAJ-QGZVFWFLSA-N 427.618 4.743 30 10 IJEE C=CCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=Nc1nccs1 1772724921 BDSJJBQSNWHBSR-RPAYCJQNSA-N 437.506 4.632 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C1CCN(Cc2ccccc2)CC1 1861169758 ZQNQGZWKUWDYDP-SANMLTNESA-N 429.649 4.660 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCN(C)C)c1 1862444033 WIWYTRLHNYHELO-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(O)c1)c1c(F)cc(F)cc1F 1862457249 LVRDHKGIRYKFPU-OAQYLSRUSA-N 439.389 4.588 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccccc2Cl)c1 1862491442 SSJVPVNFFRPGMH-NRFANRHFSA-N 435.911 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(F)cc2F)cc1OC 1862572938 PRJCLZVAGSHYQA-NRFANRHFSA-N 445.462 4.606 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2)cc1 1862590410 IEAYFTJUURUDPP-NPMXOYFQSA-N 447.462 4.879 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccc(F)c2)c1 1862626815 GHGPZTLIODPXND-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2cc[nH]c2c1 1862650860 FSVMXXSEVJRAFE-DEOSSOPVSA-N 440.499 4.936 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4cccnc34)C2=O)cc1 1862886294 BDUXQBCKKDJKIC-UHFFFAOYSA-N 430.467 4.812 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(SC)c3)C2=O)cc1 1862965660 ZJKUQXFSINPWCH-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE CC(C)Oc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863112704 HAIIJQLXHHIHBU-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(OCC)cc2)C1=O 1863569062 DKXBTJRAYBQOAB-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE CCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(Cc2ccco2)C1=O 1863711999 DXFGMEIOYJZOEG-UHFFFAOYSA-N 440.540 4.527 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870162200 OKEUZXVEORZRGT-LSDHHAIUSA-N 431.805 4.553 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1Cc1ccncc1 1870340336 DLCWRHZYGBETOP-UHFFFAOYSA-N 435.955 4.698 30 10 IJEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(F)cc1 1870348363 VJBOCKQFCOWMOU-UHFFFAOYSA-N 433.527 4.718 30 10 IJEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870794532 UPSZCCWAYFGBPH-UHFFFAOYSA-N 439.339 4.675 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)NCc3ccccc3Cl)ccc2C1=O 1871448737 YDNVCNSEAAUNQB-FMCGGJTJSA-N 449.890 4.660 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871978071 JUOAPLROIRYVCF-SFHVURJKSA-N 445.343 4.727 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872106663 LANNQLYIRHKPRD-CVDCTZTESA-N 428.598 4.869 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(C)ccc2OC)cs1 1872771632 YEZQHNGIEOILII-SFHVURJKSA-N 434.517 4.947 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)/C=C/c1cccc(Cl)c1 1873710439 FAAOVDVSRSVSNL-ZHACJKMWSA-N 437.952 4.743 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccc(C)c1 1874209673 GEARASLNEIUYED-MNVTYAKESA-N 445.592 4.653 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccco2)cc1 1874306422 VTTZEDKGEBEIGH-MFKUBSTISA-N 436.512 4.979 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCO)cc1 1874405593 FWCZIUXFKZRCFY-NCELDCMTSA-N 438.597 4.599 30 10 IJEE Oc1ccc(Br)cc1/C=N/n1c(SCc2ccccc2F)nnc1C1CC1 1874519715 IIVFQPYGICUALC-LSHDLFTRSA-N 447.333 4.937 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nncn1/N=C/c1ccc(Cl)c(Cl)c1 1874537361 ZUMJEXVNYVUFIT-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1C 1874599719 AFFBBRQHCWGHKM-OUKQBFOZSA-N 429.516 4.903 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COC)c(OC)c2)cc1OCCC 1875123450 MOUGOUWBQRVTSI-JXMROGBWSA-N 442.508 4.721 30 10 IJEE C=C(COCc1ccccc1)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922101591 ZGHCHELNUTZXCW-QHCPKHFHSA-N 439.552 4.829 30 10 IJEE N#Cc1c(F)ccc([N+](=O)[O-])c1NCCNC(=O)OCC1c2ccccc2-c2ccccc21 1978830334 OIIVQOTWGIAFJO-UHFFFAOYSA-N 446.438 4.556 30 10 IJEE CCC#CC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2005881196 YQWFMTMZXPTBCL-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)CC#C[Si](C)(C)C)CCN(Cc2ccccc2)CC1 2014160255 LANRQAAUTPAMHX-UHFFFAOYSA-N 442.676 4.776 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NC 2047972706 FZGOZXZSGFAJFH-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE COc1cc(CCC(=O)N2CCCSC2=Nc2ccccc2C)cc(OC)c1OC 2069678856 BCVIVUGSIDSZBU-UHFFFAOYSA-N 428.554 4.607 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073116025 RFKOMJOHPAAROU-VABKMULXSA-N 446.632 4.524 30 10 IJEE CC[C@H](c1ccc(OC)c(C)c1)n1nc(C2(C)CC2)c(C#N)c1I 2079978965 JNPSQUPZDHLRMF-OAHLLOKOSA-N 435.309 4.727 30 10 IJEE C[C@H]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2118198922 MFMRMRYWAFNXCH-GXTWGEPZSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2ncc(Br)cc2C#N)C1 2162420273 SPHARGVRCATMBP-UHFFFAOYSA-N 429.318 4.753 30 10 IJEE CC1(C)OB(C2CC(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)C2)OC1(C)C 2163750790 JPFZWDFVLQSMIX-UHFFFAOYSA-N 440.585 4.550 30 10 IJEE Cc1cc(Br)c(C(=O)N(C[C@@H](C)C#N)C2CC2)cc1NC(=O)OC(C)(C)C 2181046659 LQOXYFIKIXYMBK-LBPRGKRZSA-N 436.350 4.869 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2201014201 KUGWSZCSBVKJKR-RTBURBONSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(Br)cc2C#N)C1 2203257149 GJVCPCSJNRJBBC-XJKSGUPXSA-N 436.350 4.733 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2235715363 AMBZRQVWBCXJHZ-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@@H](N)C#Cc2ccccc2Br)CC1 2235750533 WKUJQQPRUFIQEY-UEUGHCDMSA-N 435.406 4.849 30 10 IJEE C#CC[C@@H](C[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237391795 LTPCBVBSYWQVIW-SXLOBPIMSA-N 436.390 4.685 30 10 IJEE CC1(C)OB([C@H]2C[C@H](C(=O)NC3CC4(C3)CC(OCc3ccccc3)C4)C2)OC1(C)C 2255612540 SHIGHOSKYMLLOH-PNFWKVKVSA-N 425.378 4.503 30 10 IJEE CCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2255665518 HFARQAPOCABJFA-UHFFFAOYSA-N 433.279 4.667 30 10 IJEE C=CC[C@@]1(COc2ncc(Br)cc2N)CCCCN1C(=O)OC(C)(C)C 2272100270 LAFSYAVHXZWLIP-IBGZPJMESA-N 426.355 4.541 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274206708 JADSUOZJILKAPM-MRXNPFEDSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)C#Cc1cccc(Br)c1)C2 2296228848 CWHYOSFAHAABKL-UHFFFAOYSA-N 432.358 4.797 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296296239 LUPXZQJEIVWPGB-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 2296299276 SUHCBFQGOFNSBB-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2296301813 ZKXHJOGJUPRREW-XMSQKQJNSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)C12CC(CCN1C(=O)OC(C)(C)C)C2 2302496942 SFIILGOQRGXGSS-ZGOJQLDESA-N 434.541 4.606 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2321993835 UBIVFTKRQQMFKL-UHFFFAOYSA-N 447.462 4.681 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(OCC)cc2)cc1 2322194822 ZHKROXDPVZQWHH-UHFFFAOYSA-N 440.569 4.996 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1F 2322712013 VWPZBEWBWHEDSF-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2323125096 ABLFHFXSQDTWGF-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(C)c1 2324098144 OZUMFKPSDRSBQF-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)c(F)c3)c2)cc1[N+](=O)[O-] 2325753643 RFVRNRIVEALLHQ-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1Cl 2326769070 XVKHKVKXJXKRMF-UHFFFAOYSA-N 428.945 4.700 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccccn1 2328673060 XWQPMGLRCCANBP-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccco1 2330616637 WGYRNZPDUPDJTB-UHFFFAOYSA-N 427.796 4.965 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccco2)c1 2330627105 IDUXCCJXTYMQAS-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)ccc1O 2330671235 MWADVJPWQCIQQZ-UHFFFAOYSA-N 449.467 4.873 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1N=Cc1c(Cl)cccc1Cl 2330718044 MLOUCCAXVQJGIK-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331033976 WJFCWNSLLYFRGR-UHFFFAOYSA-N 442.424 4.893 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1[N+](=O)[O-] 2331066004 GTHIXOXREMWHGY-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)COc1ccccc1 2331077833 VSERVUZTYYQIRZ-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2331097960 QQBXJUGYXAGSCM-UHFFFAOYSA-N 445.296 4.636 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccn2)c(C)c1 2331100621 IHAPBRVXLONPQT-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)c1 2331179279 JKSYVLCDFJUDDL-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331211239 UBBBQMUOJWQEID-QHCPKHFHSA-N 436.504 4.803 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccc(F)c1 2331381149 PBOZKJCSSSHCOG-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(F)c2)c1 2331669868 HJDBEDZVFPZLNR-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)C)c1 2331709958 NNDNFGJXOHVNDV-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)[C@@H]1CCCO1 2331879027 VRHHIBABGVHFHX-NRFANRHFSA-N 430.884 4.728 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339544108 BASVLGZOGSVLGP-HKUYNNGSSA-N 443.397 4.784 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339596796 LZFSXQMVNPYKQF-RIBQSRIRSA-N 443.397 4.608 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2352422783 ZEUFPWCQIUQGDW-GOSISDBHSA-N 443.397 4.608 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2358672521 YSKZPEZKKJSUJT-BPXKWBHBSA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)CC1 2362552503 VEWMXKQDZZXKLZ-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1nc(C)cs1)c1sc(Cl)cc1I 2366656413 ZWAMLBLLNGKFAR-NSHDSACASA-N 436.771 4.863 30 10 IJEE C/C(=N\Nc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1cccs1 20835960 YQNWIDMPMVNPOZ-KEBDBYFISA-N 431.934 4.698 30 10 IJEE Cc1ccc(-c2cnc(-n3c4c(cc(C#N)c3=O)C(=O)C[C@H](c3ccco3)C4)s2)cc1C 20850781 IHTGHCVAUSCGEF-QGZVFWFLSA-N 441.512 4.955 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 21231110 CHNQODULFIJCBO-ICSRJNTNSA-N 434.492 4.696 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Br)cc2)cc1 21259818 KSNCSJZSLPDWJA-APWZRJJASA-N 440.337 4.852 30 10 IJEE COc1ccc(CN(C)C(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1OC(F)F 33079426 SZBVHQXFYMNPAO-PKNBQFBNSA-N 439.462 4.837 30 10 IJEE C=CCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)Nc1ccc(OC)cc1OC 34760187 BYOFFPACMVGXJT-UHFFFAOYSA-N 435.524 4.782 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(OC)cc2C)nnc1-c1ccc(F)cc1 59795772 FKLXDFMTYWIRAG-UHFFFAOYSA-N 426.517 4.708 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccc(OC)c1 59807643 FNFUXFKXTWPTRW-UHFFFAOYSA-N 432.908 4.663 30 10 IJEE CC(C)c1ccc([C@@H]2/C(=C(O)\C=C\c3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 102910945 LZYQBJCMYUSPSN-NTSCOXMVSA-N 445.519 4.668 30 10 IJEE Cc1c2c(cc3c1O/C(=C/c1ccc4c(c1)OCO4)C3=O)CN(Cc1ccc(F)cc1)CO2 103159778 HENVSVWAWGERTE-NUGSKGIGSA-N 445.446 4.831 30 10 IJEE CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H](C)Oc1cccc(C#N)c1 108987097 RWZRZLJPFOXTBQ-AWEZNQCLSA-N 434.323 4.510 30 10 IJEE COc1ccc(-n2ncc(N/N=C\c3ccc(OC(C)C)c(Cl)c3)c(Cl)c2=O)cc1 169895231 SWLWXGGIVYNQGS-MYKKPKGFSA-N 447.322 4.781 30 10 IJEE COc1cccc(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)c1OCc1cccc(C)c1 169897049 TUAOAYLZBXXVPM-YUMHPJSZSA-N 440.503 4.779 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccs1 169982730 NUSPXMLACGCZOD-HSZRJFAPSA-N 433.529 4.854 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 169985494 LWXBLHHIHJFIFO-IBGZPJMESA-N 439.876 4.913 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccn1 169994485 NUJGSSMZMOJQPU-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc(O)c2)cc1C 170080657 GLHXPLSMTYNXEC-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(N(CC)CC)cc1 170138874 ZUNJAALQRKVDRO-DEOSSOPVSA-N 448.563 4.846 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccs1 170163342 TXUFXFCVUIZKDD-IBGZPJMESA-N 440.908 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccn1)c1ccc(Br)cc1 170179284 WQEIGTRNJAJRGP-LJQANCHMSA-N 441.325 4.755 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccncc2)cc1 170201044 MATVMRAXWVXSMI-QHCPKHFHSA-N 428.488 4.744 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCOC(C)C 170270563 OGTZGEMLJOCADZ-HSZRJFAPSA-N 437.536 4.786 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1cccc(F)c1 170270832 FPOQFAWZHRSDOI-NRFANRHFSA-N 432.407 4.825 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)cc1C 170296193 AZMNQELQSSYOQL-JOCHJYFZSA-N 435.451 4.904 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C\c2ccc(C)cc2O)C1=O 206888992 BFXAZYOLMUIIGN-UYRXBGFRSA-N 425.506 4.643 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 407124624 PWWINRXDMRITKV-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 410352279 ZPRGFCFBILPULU-FQEVSTJZSA-N 427.342 4.697 30 10 IJEE Cc1c(-c2nc(C3(C(=O)NCc4ccccc4F)CC3)no2)sc2ccc(C#N)cc12 426606162 UTYBUYCNKXQGKD-UHFFFAOYSA-N 432.480 4.619 30 10 IJEE C=CC[C@H]1N(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCO2)CCCC1(C)C 460894421 JIPJOYPCBKOLTG-SIKLNZKXSA-N 440.588 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2Cc3ccccc3O2)n1C[C@@H]1CCCCO1 461865168 JIFCPLUKWPMMBS-SIKLNZKXSA-N 436.581 4.778 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 469824684 KCGCXVQVQVLMNX-INIZCTEOSA-N 427.476 4.982 30 10 IJEE C=C(C)[C@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(F)c(F)c1 476866554 GBVTWRUQXVIFIO-DEOSSOPVSA-N 441.522 4.505 30 10 IJEE Cc1nc(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)sc1SCC#N 498267718 KXDYSIICSUIGTD-UHFFFAOYSA-N 439.562 4.706 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1OCC 518277091 CWIMCTFOUXDOMD-AWEZNQCLSA-N 434.330 4.992 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 521438907 PMNOTJIVXLYGKF-UHFFFAOYSA-N 436.443 4.819 30 10 IJEE Cc1ccc([C@H](C)CNC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 523478504 YVGDBNGQXORLPF-HXUWFJFHSA-N 441.531 4.613 30 10 IJEE C=CCN(C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)c1nc(C(=O)OCC)cs1 535588835 FSDJMBCMERPASB-QGZVFWFLSA-N 448.544 4.874 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 555262920 ZXZZHXYSZCCSAS-LJQANCHMSA-N 448.958 4.984 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@@H](NC(=O)CC(c3ccccc3)c3ccccc3)C2)c1 585998653 VBNQRJHNEGOQRO-RUZDIDTESA-N 437.543 4.501 30 10 IJEE Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1ccc(C#N)cc1F 609229338 GMCYBYSTYTZRRX-UHFFFAOYSA-N 431.298 4.666 30 10 IJEE Cc1nc(C2(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CCCC2)no1 609844393 GWOZJXOVMMEZJY-UHFFFAOYSA-N 431.496 4.614 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 610766923 STNYRRXCAWENON-GOSISDBHSA-N 436.512 4.721 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C[C@H]4CCOC4)C3)n2Cc2ccccc2)cc1 619817439 CQUSMNQPEUWCKK-DHIUTWEWSA-N 427.552 4.508 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 733202655 VBVCXJQGBSJFEX-OAQYLSRUSA-N 437.540 4.933 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 755259343 UYFPMJWIGFAELM-JTQLQIEISA-N 445.349 4.887 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@]3(C2)OCc2ccccc23)c1=S 774704434 PJYYKPCNEUZPGW-XMMPIXPASA-N 433.581 4.531 30 10 IJEE C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)NC(=O)C[C@H](CC#N)c1ccccc1 796810135 GBZDEFFRVUQSOH-HIFRSBDPSA-N 425.337 4.588 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1=S 799941696 BUHUZDOJIAYUBM-HXUWFJFHSA-N 448.640 4.945 30 10 IJEE CCOc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc(Br)c1O 1084116060 FZQHXBVUEJLOPP-DHDCSXOGSA-N 437.290 4.584 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)c1 1084416046 RMZFZWBMJSRJDR-UHFFFAOYSA-N 430.537 4.752 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c(C(=O)OCC)c1C 1124757957 YZSBKPNDLRGBKA-RBZFPXEDSA-N 441.496 4.730 30 10 IJEE CCOC(=O)N1[C@H](C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC[C@@H]1c1ccc(C)o1 1124868053 DDJCUQRWMPSHIG-YADHBBJMSA-N 437.540 4.807 30 10 IJEE C#CCN(C(=O)c1ccc(C(C)=O)c(C)c1)[C@H]1CCOc2ccc(Br)cc21 1126230939 JOJTZWUMDZTDIU-FQEVSTJZSA-N 426.310 4.559 30 10 IJEE C=CCCN(C)C(=O)[C@H](CCSC)NC(=O)OCC1c2ccccc2-c2ccccc21 1128051197 VAWRZCLCRYMNCC-QHCPKHFHSA-N 438.593 4.681 30 10 IJEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(C#N)c(Br)c1 1128904523 MUOSICLAEWVPSX-MRXNPFEDSA-N 438.366 4.835 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1 1129842400 ZHQWIMULPXGQNH-UHFFFAOYSA-N 434.605 4.919 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC)c1ccccc1 1130116222 JIHZZNHBSASYCI-DEOSSOPVSA-N 437.499 4.661 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 1130165392 BQQCTBJNJKCZDJ-GDBMZVCRSA-N 449.860 4.653 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)O[C@@H]2CCN(C(C)=O)c3ccccc32)s1 1132058726 HNVZPULSVGBVAI-QGZVFWFLSA-N 436.986 4.880 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 1136431860 UMIDPJRJWQQBJW-UGKGYDQZSA-N 441.616 4.678 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1OCC 1137311708 SMWWGEGHKSOFGR-CQSZACIVSA-N 447.757 4.822 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 1142940051 LHYMFPOJGRAHRW-MJGOQNOKSA-N 446.979 4.756 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1143726919 HTRSJLAUACWDRE-UHFFFAOYSA-N 440.366 4.888 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 1144139772 LXDVPLAYGNWRRD-GOSISDBHSA-N 438.355 4.742 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cccc(C)c2)c1CC 1156599509 YOKLYCVMQRCGOE-LJQANCHMSA-N 426.561 4.931 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc(CNc3cc(C)cc(C#N)c3)cc2OC)cc1 1178944091 CIYGJZXEXIMEKS-UHFFFAOYSA-N 445.519 4.904 30 10 IJEE C=CCN(C(=O)CN[C@@H]1CSC[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1194214302 XKIPBEFVPAGQRN-MLGOLLRUSA-N 442.437 4.977 30 10 IJEE CC(C)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc2c(c1)OCO2 1199244742 GERDRKYVVHMKMX-UHFFFAOYSA-N 430.464 4.574 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(Br)cc1 1199713478 GRWUTCGWRCLLGI-KRWDZBQOSA-N 429.705 4.784 30 10 IJEE Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCCC(C)C 1200834454 HKKLFYCEZHMVPW-QFIPXVFZSA-N 434.540 4.609 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1OC 1205169489 GQLOTYPGBKUJPB-GOSISDBHSA-N 430.980 4.611 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 1207271501 UWRRKOZRPQHLGR-UHFFFAOYSA-N 432.973 4.673 30 10 IJEE C#CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)C1 1220767540 GOHPCCQDZOFABS-GCJKJVERSA-N 439.650 4.624 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)N(Cc3ccncc3)Cc3cccs3)CC2)nc1 1224126106 BTRROLHBEYOGIG-UHFFFAOYSA-N 447.564 4.512 30 10 IJEE C#CCN(C(=O)NC[C@H]1CC(C)(C)OC1(C)C)[C@H]1CCOc2ccc(Br)cc21 1255813543 PTLVVXRENBUIQS-QAPCUYQASA-N 449.389 4.511 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 1264871615 XZXCPWJALWPBIO-UHFFFAOYSA-N 430.195 4.762 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OC(C)(C)C)C2 1265780941 QDSMDKBVNQZGOQ-AWEZNQCLSA-N 436.574 4.759 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1286300270 QJCNROCOUBFHGC-VHFSOBRXSA-N 425.989 4.864 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CCC)CC1CC1 1286340182 UUUACIFQTUFEQB-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286452711 KIAVQLINLCQILM-DLBZAZTESA-N 436.478 4.619 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)Cc1cnc(C)s1 1286558951 SDOBKSFXVUCXBI-NZQKXSOJSA-N 437.613 4.560 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](CC)C1 1286606072 FYXQQNNLYDXVPG-LJQANCHMSA-N 439.585 4.525 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Cc2cccs2)CC1 1286654141 BAVZEHAUPWIZMN-DVECYGJZSA-N 444.645 4.661 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1286659148 LTGVPINSWXVSGN-UHFFFAOYSA-N 434.531 4.927 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C 1286673586 YQQRYSMOZBKRAL-LJQANCHMSA-N 439.585 4.794 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1286678766 DJTKLEHXOOCFFV-OZXSUGGESA-N 426.568 4.754 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cccnc1OC 1286714812 TVXXKGNBZLJKOT-QGZVFWFLSA-N 441.963 4.762 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)SC)C1CC1 1286733877 KZLMWMQBJDCEPI-LBPRGKRZSA-N 425.371 4.753 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CC1(C(=O)N(C)C)CCCC1 1286747613 LXYSNNAEGBZGHV-UHFFFAOYSA-N 449.624 4.848 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1286750336 YDCIKYGBWPPKCP-UHFFFAOYSA-N 447.649 4.988 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCO[C@@H]1C(C)C 1286767057 DQYSWKHNALEUBH-ZJSXRUAMSA-N 449.599 4.583 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1286769626 FVCHKXRGQRFNGL-QZTJIDSGSA-N 449.368 4.817 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1286830853 VZIASADKPSPONA-OALUTQOASA-N 430.593 4.646 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1286832339 RWWMIDCTFLVVMX-IBGZPJMESA-N 430.593 4.634 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)OCC 1288354397 LSDUXYOQEIPHLA-LJQANCHMSA-N 449.334 4.873 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C1CCCCC1)N(C)C 1291843250 ADEINJHNADUQBX-TUACAJSNSA-N 436.648 4.926 30 10 IJEE C=CCC[C@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)C(=O)OCC 1298020347 HJOKWPQSZGKQED-SFHVURJKSA-N 445.972 4.736 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)C1CCC2(CC1)OCCO2 1300341433 HTJUNNULVJDUSL-QHCPKHFHSA-N 436.600 4.745 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1300362888 VNZCSRNTPSXBMD-UHFFFAOYSA-N 447.414 4.768 30 10 IJEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@]2(CC=CCC2)C1 1300373214 SFVCIPCKELNIHQ-AREMUKBSSA-N 434.584 4.996 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(CC)CCOCC1 1300437983 BQAZJAWHDRPSGL-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCc1nc(C)cs1 1300441695 WUBVNWCGMRWZRB-INIZCTEOSA-N 439.654 4.989 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](c1cccs1)N(C)C 1300557211 QTVVUVSPRYXJIV-PKTZIBPZSA-N 445.636 4.647 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1(C(C)C)CC1 1300564407 VVNVORMUXKUZIR-UHFFFAOYSA-N 431.403 4.668 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300799140 WWMFTVSIXBFEPH-WAIKUNEKSA-N 443.979 4.504 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1300886039 VEXQWXNRUWGNCR-IFMALSPDSA-N 439.560 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301144075 USFRNCULTGXCSQ-OAQYLSRUSA-N 439.604 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301159778 GERHUZNRRLZGJO-JOCHJYFZSA-N 447.583 4.821 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](OCC)C1 1301206643 IENAEBUTOWOKNP-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](OCC)C1 1301206644 IENAEBUTOWOKNP-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CCc1nnc2n1CCCCC2 1301358062 WQDXGTRSNPUGRD-SFHVURJKSA-N 439.633 4.606 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)c2c(C)noc2C)cc1C 1304395466 CTGZZHKMPSQLNR-ZWKOTPCHSA-N 436.560 4.621 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1F 1310362529 CBKOSROANDFUPC-NRFANRHFSA-N 431.467 4.965 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 1311208264 MXHIGIDPWIHWCC-UHFFFAOYSA-N 431.492 4.807 30 10 IJEE C=CCc1ccc(OC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c(OC)c1 1347801228 WPMVVUNLOKYFBP-AREMUKBSSA-N 431.532 4.866 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2ccc(Cl)s2)c(C(=O)OCC)c1C 1353746517 QAOKEANQVBVAQA-UHFFFAOYSA-N 441.958 4.862 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 1357119282 SOZIGFWRKFBLRM-UHFFFAOYSA-N 441.833 4.667 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(N(C)C)c1 1358877692 JEMPVTJBZCHHNA-ROUUACIJSA-N 433.625 4.704 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(C)(C)C2CC2)CC1 1359032341 KXHRWLFGLZDTAR-UHFFFAOYSA-N 446.426 4.833 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](SC)C(C)(C)C 1359068609 HYFXYLPVPZZNTI-SQJMNOBHSA-N 448.640 4.901 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)OC 1359077567 FYPNHZRCZAOUMX-ZDUSSCGKSA-N 429.746 4.595 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1359186371 DGBPMZDUBSAMHD-NOVUIFNWSA-N 425.602 4.810 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359199269 QEPIWOYFHUDLMU-NRFANRHFSA-N 439.648 4.756 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCSCC(C)C 1359235631 HGJGBLQVCGFXOO-UHFFFAOYSA-N 427.387 4.858 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1c(C)nn(C)c1C 1359259372 UPDPIHACBZQSFG-UHFFFAOYSA-N 432.597 4.522 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1359284481 RTDNTUILBLQKIY-CVEARBPZSA-N 449.393 4.544 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCCS2)C1 1359316158 JGFQCQLNEHYDPQ-IRXDYDNUSA-N 436.984 4.805 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)c2ccc(OC)cc2)C1 1359322643 ZODNCGYENVEPKN-OAQYLSRUSA-N 426.605 4.634 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1359344571 CFRDJLHXUCSETE-DYESRHJHSA-N 439.654 4.935 30 10 IJEE C#CCN(C(=O)c1ccc2scnc2c1)[C@@H]1CCOc2ccc(Br)cc21 1360311025 OLXLUSWKAQFWQF-QGZVFWFLSA-N 427.323 4.658 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(Br)cc2)cc1 1360469945 OUQIHDRSARALAS-UHFFFAOYSA-N 438.325 4.906 30 10 IJEE C#CCN(C(=O)Cc1ccc(Cl)c(F)c1)[C@H]1CCOc2ccc(Br)cc21 1360557046 LTVLTOWDNDYHSZ-SFHVURJKSA-N 436.708 4.770 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 1435690701 CULUTLDEAJAJNY-VBKZILBWSA-N 434.330 4.529 30 10 IJEE C#C[C@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1F 1436653952 XEQMSBCTZCXHFG-KRWDZBQOSA-N 432.680 4.532 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(Br)cc2C1 1453494711 PFGJCSYZENZDFM-CQSZACIVSA-N 443.407 4.645 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1)c1ccccc1 1456316786 GHCLLZNNECAKPV-RCZVLFRGSA-N 434.580 4.573 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1456897300 SCFAMCJDPNATIW-JIYROHSKSA-N 448.544 4.894 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)n[nH]2)c1C 1468083996 SEUDAYGIPXOJKS-UHFFFAOYSA-N 429.446 4.514 30 10 IJEE C=CC[C@H](NC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1)c1ccncc1 1468884281 MPVXITTYWDNZNM-QFIPXVFZSA-N 431.515 4.884 30 10 IJEE C=C(C)c1cccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)c1 1477189103 XMJNMVVVPZKNFD-HXUWFJFHSA-N 429.561 4.647 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(O)CCCCCC1 1507528502 NEJOPXIMUMITIK-HXUWFJFHSA-N 448.567 4.660 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](OC)C(C)(C)C 1507608856 MKKSREWEUPMKFT-FQEVSTJZSA-N 426.561 4.943 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CC=CCC1 1507668373 BPGYXRUTWLPCBR-NRFANRHFSA-N 432.568 4.562 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](SC)C(C)(C)C 1507701429 GOTFMZJTZQDHRP-TZIWHRDSSA-N 444.620 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCN(C)C1CCCCC1 1507774196 WERZWJCKPUOXHZ-XMMPIXPASA-N 425.646 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CCC1 1507803201 FGHMJIDRFKNIMM-JLMWRMLUSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC)(CC)C1 1507811242 OXECVIUYRFVRBK-WMZHIEFXSA-N 442.579 4.994 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccc2F)CC1 1507898974 XVRPBKTYTXEGLA-UHFFFAOYSA-N 444.352 4.820 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1507931082 RSOZXOKDBWNCGZ-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066864 XZEJGXVBJIONJX-YDIMBITNSA-N 427.593 4.562 30 10 IJEE C=CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cc(F)ccc1Br 1508068475 ZPTJXFWOYRIOKX-AWEZNQCLSA-N 439.239 4.553 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2OC(F)(F)F)C1 1508124793 MNHPOTBLPIIQBY-QGZVFWFLSA-N 438.494 4.595 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1514038660 HYQMZCUTRHKMGY-GGAORHGYSA-N 434.632 4.954 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)cc(OC)c1OC 1519363166 ZICSCJJFUHATAD-UHFFFAOYSA-N 429.822 4.914 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1c(F)ccc(I)c1Cl 1522905105 LMFUTPUGIVDVTQ-UHFFFAOYSA-N 435.689 4.974 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccc2)nn1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524296831 TYJOGXPGXIVYMI-UHFFFAOYSA-N 445.504 4.952 30 10 IJEE Cc1cccc(N2N=C(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)CCC2=O)c1 1525394259 HAAGJVDSYLCHPF-UHFFFAOYSA-N 438.487 4.567 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1CC)c1ccc(Cl)cc1 1528475766 YHKWVXNVFDXQTI-IBGZPJMESA-N 442.744 4.955 30 10 IJEE C#CCN1CCC(C(=O)N(CCC)CCOc2c(Cl)cc(Cl)cc2Cl)CC1 1530291422 BZRJHRBNQBEHCK-UHFFFAOYSA-N 431.791 4.609 30 10 IJEE C=CC[C@]1(C(=O)N2Cc3ccc(C)c(Br)c3C2)CCCN1C(=O)OC(C)(C)C 1533431179 AHZSFEHXOVLDIK-JOCHJYFZSA-N 449.389 4.946 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1sc2ccc(Br)cc2c1C)C(=O)OCC 1535345049 OASYWXAGRVEJNX-CYBMUJFWSA-N 430.751 4.776 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1C1CC1 1538973577 OUZFQIAIKRZBJR-WPYKKVEZSA-N 435.616 4.510 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1nccs1 1538977227 UHZJZQYMOKOBCL-OAHLLOKOSA-N 434.594 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCN1CC 1538987239 RUCJMMVGAQOKDZ-PXNSSMCTSA-N 437.588 4.755 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCC(F)(F)C1 1539258111 ZMACYGRJZOTAHP-LJQANCHMSA-N 435.522 4.725 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1539586213 JPJTYSVZPISPSH-KRWDZBQOSA-N 428.334 4.746 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cn1c(-c2scnc2C)nc2ccccc21)c1ccccc1 1539644498 BTWNTIRTTWCFHH-PMERELPUSA-N 436.562 4.708 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@](C)(CC)C1 1539729364 PGGNLGMLBHWUMX-MHECFPHRSA-N 444.645 4.729 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(COc2ccccc2)CC1 1539812533 QDKGHGLNTJTAPG-UHFFFAOYSA-N 428.989 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)cc2)CC1 1539874405 FOQLNOCUBAPMFW-UHFFFAOYSA-N 426.362 4.795 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(Br)cs2)CC1 1539892127 SAPJBBCNMONWJW-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC1COC(C)(C)OC1 1539981327 HSGQEDMJZJELCT-UHFFFAOYSA-N 449.393 4.509 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 1540136947 NPTYXQKTHWNDRW-IBGZPJMESA-N 442.579 4.742 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC2(CCOCC2)C1 1540922548 QYGUOQCLBCDUMF-UHFFFAOYSA-N 444.670 4.805 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CSC(c2ccccc2O)=N1 1542796999 CVCAKKYDVWSDFR-JOCHJYFZSA-N 443.528 4.652 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-c2ccc(Br)cc2)n1C)C(C)C 1542931917 AFQHCMMOAHHLBJ-QFIPXVFZSA-N 444.417 4.883 30 10 IJEE CN(CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C(=O)OCc1ccccc1 1543196722 CQVVHTURDFCDBB-UHFFFAOYSA-N 431.517 4.917 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](F)(C#N)C1)OC 1545282456 IABSMJWTKIKHNU-TXBYWVTISA-N 445.608 4.779 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2sc(C)nc2C)cs1 1546378248 HODCBYRETCHQIC-UHFFFAOYSA-N 449.609 4.594 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@H]1C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1 1564406826 OXGMPFRLJHQACP-AHRSYUTCSA-N 426.479 4.550 30 10 IJEE C#CC[C@H]1CCCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)C1 1564502212 BHRMUDYJSCFRFB-WMZHIEFXSA-N 435.568 4.851 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 1566160785 HZIWDSJOMRHATO-UHFFFAOYSA-N 435.238 4.964 30 10 IJEE CCC(C)(C)c1ccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1583847663 CZSWJAVKIOLYKI-UHFFFAOYSA-N 427.552 4.598 30 10 IJEE C#CCCOc1ccc(C(=O)N2CC(C)(C)N(C)c3cc(Br)ccc32)cc1 1586544537 PRFAPPZKQSUFMI-UHFFFAOYSA-N 427.342 4.726 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1587621713 XVQDYWMRBOJRPU-BVFVYWQFSA-N 446.599 4.569 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1587777957 WXNORZGWMMMDOR-AREMUKBSSA-N 447.671 4.959 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1587926971 NXEUPQRNTCFJRI-IRXDYDNUSA-N 428.462 4.698 30 10 IJEE C#Cc1ccc(CNC(=O)c2cc(I)c(Cl)cc2Cl)cc1 1587972096 LPBFBCFYRNDRCB-UHFFFAOYSA-N 430.072 4.509 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cn1 1588070774 FWWMQXBDHWIYDF-UHFFFAOYSA-N 448.479 4.749 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCCC(F)(F)C1 1588604575 LVFHUFLPAQIOQF-KRWDZBQOSA-N 436.934 4.900 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCCOC1 1589008076 SIWSZCSTMMSAPY-GOSISDBHSA-N 444.670 4.505 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1589027679 QIFLPSUMNZLETO-KDOFPFPSSA-N 449.393 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1cccnc1)C(C)C 1589171786 SLYCAEXOYBNCDC-WIOPSUGQSA-N 444.539 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCc1ccccc1OC 1589547989 XHURHKOEUYGQFV-NZQKXSOJSA-N 426.605 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CCc1ccc(-n2cccn2)cc1 1589675582 GAXRPYGOQJQXKW-UHFFFAOYSA-N 432.597 4.761 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1594035153 FKAPOXJAIKNCPI-WMZHIEFXSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2c(C)noc2C)CC1 1594430218 KAUXPEBYULEARV-UHFFFAOYSA-N 435.572 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1594529872 ZIJXNZZNQGLXLV-SFHVURJKSA-N 433.641 4.871 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 1595243808 FSEQMRJHNAZIAY-UHFFFAOYSA-N 428.606 4.601 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1595900834 KRFBJVSSNAODCO-HSZRJFAPSA-N 443.592 4.516 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)CCCC(C)C)nc2sc3c(c2c1=O)CCC3 1613269637 HMTRNEKEJIATFK-HNNXBMFYSA-N 433.643 4.556 30 10 IJEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)o1 1613864839 CULPHWROEWAMNR-YLJYHZDGSA-N 448.571 4.651 30 10 IJEE C=CCOc1ccc(CN(CC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)C(C)(C)C)cc1 1616214999 LWBPHRHPMPBRMA-UHFFFAOYSA-N 426.557 4.856 30 10 IJEE C#CCN(C(=O)CC[C@@H](O)CCCCCC)[C@H]1CCOc2ccc(Br)cc21 1617600526 LKTWHHALJMFQLW-ICSRJNTNSA-N 436.390 4.846 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)c1ccccc1 1618598363 VIPXUIUFHGCWFP-PMERELPUSA-N 433.455 4.804 30 10 IJEE C#CCN(Cc1ccc(F)cc1)Cc1cc(Br)cc(Br)c1N 1621143661 KSZZPLQZNSRWBW-UHFFFAOYSA-N 426.127 4.568 30 10 IJEE Cc1ccccc1COc1ccccc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1624793317 DAJZWMBXIHFOIQ-UHFFFAOYSA-N 429.495 4.547 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1OC 1624927455 CQBARYHEDSNHEM-QHCPKHFHSA-N 444.522 4.884 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(Br)cc1OC 1625758793 ZIBIGIGQOGAJNN-AWEZNQCLSA-N 428.323 4.613 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCCCO1 1626155527 SZBULLFJLVGWDV-KBMIEXCESA-N 448.563 4.545 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1626818377 RFOOKVDEFWSRII-DFBJGRDBSA-N 432.564 4.858 30 10 IJEE Cc1cc(F)ccc1-n1cc(O)c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 1627499354 AAOPTVBIJKYNLX-UHFFFAOYSA-N 428.423 4.942 30 10 IJEE C=C(C)CN(C)C(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 1629823757 OWFJYOVVPQOWBJ-UHFFFAOYSA-N 447.560 4.830 30 10 IJEE Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cs1 1632521490 GYIMQLZMVNHGKB-UHFFFAOYSA-N 435.524 4.697 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1)c1ccc(F)c(F)c1 1634436235 WSKBKSNNBHMXLW-LJQANCHMSA-N 442.441 4.754 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1635020046 QJMFCNPFCRCLJQ-HXUWFJFHSA-N 446.378 4.929 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1636700555 UNNWPEKFBPLGIS-GOSISDBHSA-N 441.369 4.973 30 10 IJEE C#CCN(CC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C(=O)OC(C)(C)C 1636915380 UESKPGHDLBZNKO-GOSISDBHSA-N 440.506 4.649 30 10 IJEE C[C@@H]1[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCN1Cc1ccccc1 1638399030 AWMGDCSNUOTJNV-KOSHJBKYSA-N 429.495 4.882 30 10 IJEE C=CCn1c(S[C@H]([C@@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CCCCC3 1640569099 UJOJRPNVZXFEBG-MLGOLLRUSA-N 444.544 4.972 30 10 IJEE C#CCOCCSc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CC[C@H](C)C3 1651566135 CCJNWWOOGIVHHC-INIZCTEOSA-N 438.618 4.931 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OCC)no2)nnc1-c1ccc(C(C)(C)C)cc1 1651597015 XLTLIFCWFBMFJG-UHFFFAOYSA-N 426.542 4.886 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C)C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 1652348997 IWRATQRDIFVRGJ-INIZCTEOSA-N 441.622 4.967 30 10 IJEE CCc1nnc(O)c(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1CC 1654657879 GAFJZNWKTPCGOO-UHFFFAOYSA-N 439.331 4.849 30 10 IJEE C#CCCOc1ccc(CN[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1657645509 WHJMGDYXMHBZTN-ISKFKSNPSA-N 428.935 4.721 30 10 IJEE COc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 1664158400 GVUMXXLIKJSBPH-XLIONFOSSA-N 442.560 4.600 30 10 IJEE CC(C)[C@H]1N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC12CCOCC2 1666718506 AMUYFAZZOQSCIR-HSZRJFAPSA-N 437.515 4.945 30 10 IJEE COc1cc(Br)cc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 1668217380 AHUHNHMHZFXVFQ-UHFFFAOYSA-N 446.692 4.812 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCC(N2CCCCC2)CC1 1670845350 NSJKMVRHPVZJCE-UHFFFAOYSA-N 436.394 4.933 30 10 IJEE CCOc1cccc(CN(CCO)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1671555704 FCIDUDFENVWSTH-HXUWFJFHSA-N 443.547 4.889 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(Oc2ccc(F)c(C)c2)cc1Cl)[C@H]1CCCO1 1671889738 MYFGPCZULJJXQN-FGZHOGPDSA-N 430.907 4.902 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCCCc1ccc(Br)cc1F 1677387412 TWYZPIKBLZDKOI-UHFFFAOYSA-N 435.337 4.927 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1678328541 ZXLNMIXISLDFND-NZQKXSOJSA-N 438.591 4.515 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 1680280006 HUMQAYNFUBJFCS-VLIAUNLRSA-N 442.428 4.751 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1 1680958834 AUNWOOPUNXNCDB-GHTZIAJQSA-N 431.577 4.743 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 1681943050 YGMBAKZMLSUHEH-CTNGQTDRSA-N 442.401 4.762 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)CC1 1684576989 BWGVLZARQGOFPZ-DEOSSOPVSA-N 438.522 4.990 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc(F)c(F)c1 1686173993 UHRPNGAARAGFHH-OFNKIYASSA-N 430.495 4.777 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-c2ccsc2)nc1 1689839792 MQDCDHPQTCZDKJ-OAHLLOKOSA-N 434.956 4.623 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cscc1C 1689840154 TVDUCQJGAURLBR-ZDUSSCGKSA-N 433.350 4.723 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](c1ccco1)N1CCCCC1 1689947562 HYGOHUHOBATYMI-XZOQPEGZSA-N 431.584 4.710 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1689954011 IHUHEDUYNUQSFF-QZTJIDSGSA-N 431.987 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1csc([C@@H](C)OC)n1 1690259234 BOLQPKLIQWPLJR-MRXNPFEDSA-N 427.574 4.568 30 10 IJEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)C1CCCCC1 1690315651 IOXMLECWQWHMAA-FQEVSTJZSA-N 436.604 4.514 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2CC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 1690417469 SRBHOLNSQXGBSE-XUZZJYLKSA-N 437.632 4.518 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1c(CC)noc1C)C1CC1 1690537339 MZMQRPQXBWCECD-MRXNPFEDSA-N 425.508 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC1(C)CCOCC1 1690588340 RUBYDQDALJMKNX-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CCn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690652347 FRZXCRCJAPYTCN-SUMDDJOVSA-N 429.540 4.571 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCSC1 1692836097 DSVCWODIBQRCPJ-YZZKKUAISA-N 443.592 4.830 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@H]1C(C)C 1705503107 PBVWWXHOOLRJMS-WATLYSKOSA-N 438.616 4.808 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(CN(C)C(C)C)CC1 1705512385 ATXAMRQDAYXIFR-UHFFFAOYSA-N 444.627 4.853 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCC)CC1 1705576965 AQAWNXCIEBKNMU-UHFFFAOYSA-N 425.374 4.669 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC1CC(F)C1 1705654147 YVGIEAPTUAZVKA-XEVCZEQESA-N 430.593 4.586 30 10 IJEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(Cl)=C(Cl)C1 1705663369 FNRXEDLMGDNEAR-UHFFFAOYSA-N 446.407 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCC1(O)CCC1 1705677242 GXSANNKRXNENNW-RUZDIDTESA-N 436.600 4.586 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCOCc1ccccc1 1705722691 FOZDOSVEZXAPSO-UHFFFAOYSA-N 444.377 4.655 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)CCC(C)C)CC1 1705771781 DTSQGCXHSFGHAJ-DEOSSOPVSA-N 444.645 4.923 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2COC)CC1 1705785345 FDVRYHFINBHHAM-DHIUTWEWSA-N 438.616 4.794 30 10 IJEE C=CCCCCCN(C)c1nnc(CN2CCCC2=O)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1705798896 FHDAXIHPCZEEGQ-ROUUACIJSA-N 441.542 4.877 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@H](C)C1 1705862737 URBSZQVZGXCAKT-RLSLOFABSA-N 442.579 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705871841 ZYYGBYHRKRZADA-RTWAWAEBSA-N 430.600 4.792 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)c1cccnc1 1708175181 BCSVSPZLMLBJGL-CVDCTZTESA-N 444.583 4.655 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnn(CC(C)C)c1C 1722274869 AJJPQPOBEXHSPO-DENIHFKCSA-N 448.615 4.702 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1722308322 KRVUHTBMXUKCOD-UHFFFAOYSA-N 431.625 4.678 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(F)F)C1 1722314685 CIAIQWGYURGIPI-SFHVURJKSA-N 425.483 4.885 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722327687 NCTJAQCYGKLTPQ-DWJCEPTDSA-N 433.644 4.934 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1c(CC)noc1C 1722391105 ZTKQUDJOUXQFMI-QGZVFWFLSA-N 447.608 4.501 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(OC)CCC(C)CC1 1722401264 QUNDWWRHBSOSLA-UHFFFAOYSA-N 448.611 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC1(C)C 1722476323 QQAPORKGCUVELK-OPAMFIHVSA-N 443.389 4.658 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H](CN3CCCC[C@@H]3C)C2)nnc1C(C)(C)C 1722488503 HIPOTDRUZYYQMC-ZWKOTPCHSA-N 438.458 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCCSC 1722493974 BCHGXKKOMHGDCX-DNVCBOLYSA-N 439.000 4.908 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C1CC1)N(C)C 1722502634 OWRKFGZGFGVZGE-HNNXBMFYSA-N 438.439 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1OCCC1(C)C 1722511589 DEWDRGSOFNHUAV-QFIPXVFZSA-N 442.604 4.958 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1722537392 NOZKZAKVONMNEG-IIBYNOLFSA-N 432.515 4.514 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1cccc(Cl)c1 1722548068 YORWPQDVQMGQHQ-UHFFFAOYSA-N 438.746 4.915 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc(O)c2sccc2n1 1722586192 WNQIPJJCCWFCRK-UHFFFAOYSA-N 438.557 4.796 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC2(CCOCC2)C1 1722609363 WLFAUXWXNDWXQO-FQEVSTJZSA-N 440.588 4.790 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722609543 XOFCOHVSLUPJHB-KRWDZBQOSA-N 429.996 4.700 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCC1(F)F)C1CC1 1722645507 PBJLJESRYBRGRW-QGZVFWFLSA-N 432.515 4.943 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1722653534 GNOMGMHZDVSJQS-RBUKOAKNSA-N 444.023 4.786 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@](C)(O)CCC)C1 1722714238 IWAAQKRIDBKDRN-DVECYGJZSA-N 444.645 4.608 30 10 IJEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1723518105 BSGANBFQAUMFDD-JOCHJYFZSA-N 434.613 4.950 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CC1CCOCC1 1723987557 DAGZNCIWDJDJGN-KRWDZBQOSA-N 443.979 4.628 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)s1 1729409108 AHFNADNQPAWFSK-UHFFFAOYSA-N 434.956 4.535 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(C)cccc2C1 1740567602 MMSNJCIDIWJFPO-UHFFFAOYSA-N 438.373 4.710 30 10 IJEE C#CCCCn1c(N2CCC[C@@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1740596463 GHXVRCAUCMERBS-HXUWFJFHSA-N 446.517 4.709 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nc(C(C)C)cs1 1740774122 MKWMHDSEPHPXSH-HXUWFJFHSA-N 439.585 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1740845722 ZEJKFQMVWLBDKU-QGZVFWFLSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC=CCC1 1740851847 DHJPUJMEUDFPSO-UHFFFAOYSA-N 431.378 4.988 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740869271 IAKBPQMOEUCMLV-OALUTQOASA-N 443.592 4.942 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740869430 MWUDOBNNUARPIC-OAQYLSRUSA-N 439.604 4.924 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740883038 GXVPXUHJAQEBMW-NQIIRXRSSA-N 435.399 4.866 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1CCC(F)(F)CC1)C1CC1 1740908750 KDYXGGQIZMBPRK-UHFFFAOYSA-N 432.515 4.943 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@](C)(O)c1ccsc1 1740914068 KSGDUPCRWVNMNK-DEOSSOPVSA-N 438.597 4.716 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1Cc1cnn(CC(C)C)c1C 1740918807 PRMKZVLNRWRVJH-UHFFFAOYSA-N 441.583 4.742 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCCC[C@@H](SC)C2)nnc1C(C)(C)C)C(C)C 1740926692 JCGBSALKAPSVDH-RTWAWAEBSA-N 433.710 4.996 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CCCCC1)N(C)C 1742982226 CRUKILSSSMYGHS-JXALWOEJSA-N 434.632 4.952 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1748743747 JYGVFBSINGUNCQ-KRWDZBQOSA-N 449.343 4.993 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1CCC(OC)CC1 1748775244 GHJCHTGNDBHTOV-ZJRDLVKKSA-N 426.630 4.796 30 10 IJEE COc1ccc(OC(F)F)c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)c1 1748853969 HYORCIAPUUSLGJ-HSZRJFAPSA-N 447.530 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@@H]1C 1749054508 UJRJOTWVSHPUJC-AXHZCLLHSA-N 442.007 4.548 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCOc1ccccc1F 1749131159 QISLKLMEOZMJJT-SIKLNZKXSA-N 428.552 4.571 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC(C)(C)C1 1749141623 ZZJWTZCZIKBNDS-PGRDOPGGSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)CN(C)C)CC1 1749292349 QFXDFFNMBDCJEP-GOSISDBHSA-N 432.012 4.816 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1749348786 YRXNDKSOIKBYLW-WIOPSUGQSA-N 449.599 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OC)C1 1749356990 FVKRLQKMRQTMTO-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1749392058 YOECWDRAVIMRGN-PZJWPPBQSA-N 427.568 4.588 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CCN1CCCCC1 1749545220 YGVKVCNCVHKRND-UHFFFAOYSA-N 425.596 4.828 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC(F)(F)C1 1749587416 SNVXGFLGUIXZTH-SFHVURJKSA-N 444.530 4.722 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1749594249 IBXFHYCOFUANGB-PMACEKPBSA-N 447.505 4.824 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)C[C@@H]2CC)cc1 1749686639 WHVSAXVXYBBVPT-UTKZUKDTSA-N 437.613 4.872 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2CCOC2)CC1 1749689603 HSLXREQHTLVHNG-JOCHJYFZSA-N 438.616 4.733 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1nccs1 1749752157 JWLPAWSQQPAVTK-UHFFFAOYSA-N 438.582 4.612 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2ccco2)C1 1760144979 FYWIHPKNHGFWFS-UWJYYQICSA-N 440.931 4.656 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760145142 ITPLBDJFEJWNKR-XZOQPEGZSA-N 446.599 4.795 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C1CCCCC1)N(C)C 1760164764 ZIBFCAIPVGVDFV-JTHBVZDNSA-N 437.632 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760226113 KRAMEPMJLQDVTB-KDURUIRLSA-N 428.024 4.815 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1cnc(C(C)C)nc1 1760351966 NOYNOKYFQJZKBP-UHFFFAOYSA-N 446.555 4.834 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1760388077 DWOSQRHINSWEKC-UHFFFAOYSA-N 429.446 4.638 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1760482144 BWXIBVQZDDWVKZ-PKTZIBPZSA-N 444.627 4.577 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1nc(C)cs1 1760498942 JMYUYVYFDMTOIY-UHFFFAOYSA-N 430.581 4.697 30 10 IJEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCCC2(F)F)cc1OC 1765967604 AAXHQGMAPXGVEX-WMZOPIPTSA-N 447.530 4.774 30 10 IJEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1769844643 AJWJKZWQJAZQPI-DBXWQHBBSA-N 443.979 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H]1CCO[C@H](C)C1 1772522782 MVVDIFYCJRWQGT-SAHWJRBASA-N 430.955 4.935 30 10 IJEE Cc1nn(-c2ccc(Cl)cc2)c2ncc(C(=O)Nc3oc4c(c3C#N)CCCC4)cc12 1859756007 GOXBFCSUBYFJAC-UHFFFAOYSA-N 431.883 4.978 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)c(C#N)c1C 1859757710 IDJMIPXHQXFIQZ-UHFFFAOYSA-N 435.505 4.736 30 10 IJEE N#Cc1cccc(C(=O)OC[C@H]2CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)c1 1860063289 OOPLKLDGDFACLI-QFIPXVFZSA-N 438.527 4.786 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(O)cc2)cc1 1862389724 MEJBEVXMOPSOEG-DEOSSOPVSA-N 442.515 4.908 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862430899 VGFYJLXUMJAVQA-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2c(Cl)cccc2Cl)c1 1862498451 IVLJNBVJBVMNJF-LJQANCHMSA-N 434.319 4.571 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccccc2Cl)ccc1F 1862503250 TZRCMMHBZVJISF-NRFANRHFSA-N 444.934 4.708 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Cl 1862594549 FWMVNAJDPLOHGV-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1862655025 XNHCXVSVRCJIDU-QFIPXVFZSA-N 430.460 4.982 30 10 IJEE CC(C)Oc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccs2)C1=O 1863107255 FHLZBZWXPWXFPZ-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1 1863144255 CFKAQASBDJZWLD-UHFFFAOYSA-N 441.506 4.858 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2c[nH]c3ccccc23)C1=O 1863817870 RONDFYDINWWOLV-UHFFFAOYSA-N 430.552 4.793 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(O)c3cccc(F)c3n2)c1 1866485652 WCMWUWROTJSLIW-UHFFFAOYSA-N 425.419 4.743 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868397542 CFTYUGGCONCGMP-QHCPKHFHSA-N 442.542 4.603 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(Oc3cccc(Cl)c3)CC2)nc(CCOC)n1 1869110814 CZYXDVNEKJLBNY-UHFFFAOYSA-N 442.991 4.545 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2c(F)cccc2Cl)n(-c2ccc(C)cc2)n1 1870001816 VMXIEDQNHXMUGQ-UHFFFAOYSA-N 425.895 4.799 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870404077 BDEFLCZIVZIYRS-IYBDPMFKSA-N 437.367 4.529 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(OC)c2)cn1Cc1ccccc1 1870606108 GVRZLTRGVPXKCV-UHFFFAOYSA-N 430.548 4.658 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(CC)cc1 1870872542 KKGSTBGCFDKUNY-UHFFFAOYSA-N 428.573 4.935 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871382526 ZNAXZCVRTMKXQD-XKZIYDEJSA-N 432.403 4.895 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCCOc3ccccc3)ccc2C1=O 1871399026 ZYGZQCKKPGIUKC-QFEZKATASA-N 448.471 4.786 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCC(=O)OCC(C)C)cc(C)c3C1=O)cn2C 1871427909 YUFYVPXOVXIOKZ-AQHIEDMUSA-N 449.503 4.690 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCC 1872176561 OGIHLEQRCZUNOS-QFIPXVFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872314060 QVJFCGXOSAMMFY-JOCHJYFZSA-N 444.597 4.605 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)c(OC)c1 1872783925 LNYGFSOGPCHHLT-MRXNPFEDSA-N 428.897 4.979 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3c(C)cccc3CC)[nH]c2c1 1872816520 NEBFBYSXSSZCDM-UHFFFAOYSA-N 448.592 4.979 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nnc(SCc2cccc(C)c2)s1 1873435280 GOAKLOPSQHIBNG-UHFFFAOYSA-N 427.551 4.721 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cc(Cl)ccc1O 1874324551 FQQVZDSGHNYKMN-FSJBWODESA-N 428.945 4.993 30 10 IJEE CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874396142 FLQQUDBMNWRWAZ-XMOVILSBSA-N 431.359 4.892 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccco2)cc1 1874412037 YNYGESGKBUOOLG-UDWIEESQSA-N 425.495 4.606 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c(O)c1 1874417603 OKUSGGDOSFWXRQ-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2F)cc1 1874437601 JWYXIMQFMRGCAO-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE O=C(CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cl)cc1)Nc1ccccc1 1874458218 BPHVBODBWIEHCJ-AUEPDCJTSA-N 439.850 4.563 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)cc1 1874485099 DXQYGGMYORHBJB-OEAKJJBVSA-N 436.025 4.852 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(C)cc2)o1 1874487615 GEVYQSPUNKFFGQ-YDZHTSKRSA-N 426.542 4.729 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Br 1874613216 IRIQRODWHOXCMA-YCRREMRBSA-N 436.733 4.904 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874698823 PTHYBSVPMPERBZ-ACCUITESSA-N 433.416 4.727 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2)c(OC)c1 1875118390 UHYDXFWJTZKFTP-XNTDXEJSSA-N 432.472 4.757 30 10 IJEE N#C[C@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C1CCCCC1 1902270374 LMYKYCPOOPRHIU-DEOSSOPVSA-N 443.547 4.646 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 1922080480 OLJWDFMUNPPHEW-HSZRJFAPSA-N 425.573 4.833 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H]1NC(=O)OC(C)(C)C 1943913831 WRDDBIZGXRDIHR-WZONZLPQSA-N 431.533 4.776 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C#N)(CNC(=O)OC(C)(C)C)C2CC2)c1 1944407714 IZMGCHPIZGWATC-HSZRJFAPSA-N 431.533 4.634 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(c3ccc(C#N)c(Br)c3)C2)C1 1965652123 TVJUJHFYVJPXDX-INIZCTEOSA-N 434.378 4.794 30 10 IJEE N#CC1(c2ccccc2)CC(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1978831089 ZXZICUZOGLQEAB-UHFFFAOYSA-N 437.543 4.739 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cccc(Br)c1Br 1992853871 MBUWSKVJTFZXLE-KGLIPLIRSA-N 449.183 4.584 30 10 IJEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2014634486 FXBOIZOOLUHEJC-IIBYNOLFSA-N 436.557 4.852 30 10 IJEE Cc1ccc([C@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)c(O)c1 2079040740 SICBXFATDYDCTH-HMAUVEFUSA-N 432.240 4.876 30 10 IJEE N#C[C@H](C(=O)CSCc1nc2ccccc2[nH]1)c1nc2c(s1)CCc1ccccc1-2 2084273005 CKNKRHHMSPGQBB-MRXNPFEDSA-N 430.558 4.895 30 10 IJEE O=C(C1=Cc2ccccc2C1)c1ccc(I)c(Br)c1 2088980393 LIAAESOKYFKUGF-UHFFFAOYSA-N 425.063 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1ccc(C#N)cc1Br 2105983819 QZUAOLQOLBRPPN-KRWDZBQOSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2118187561 KLKQDTZJELXPKH-CQSZACIVSA-N 426.330 4.734 30 10 IJEE CN(C[C@H]1CCCCN1c1cc(Br)cc(F)c1C#N)C(=O)OC(C)(C)C 2118201276 NYXDUVHHBOFRFE-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CNc1cc(Br)c(C#N)cc1F)C1CCC1 2137702862 RIMDZEIVZZXBPH-IBGZPJMESA-N 426.330 4.955 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2142154544 BXAUUPUKINZSFW-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(OC)c1Br 2142388777 NMSUGYLHOHPBDS-MAUKXSAKSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Nc3cc(Br)cc(F)c3C#N)C[C@H]2C1 2163692756 QIWZKPRBXYHZDH-KCQAQPDRSA-N 438.341 4.907 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174814705 KOBFXINPBNHGPT-GJZGRUSLSA-N 440.357 4.980 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180955353 ZJVVCOKQEWPDRC-DYVFJYSZSA-N 436.350 4.685 30 10 IJEE CC1CCC(C#N)(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CC1 2181045759 NSQJHWQQYHWENV-UHFFFAOYSA-N 436.350 4.998 30 10 IJEE CC(C)(C)[C@@H]1CSC(=Nc2ccc(Br)cc2I)N1 2223678600 DXJFHXHWBDNQEZ-NSHDSACASA-N 439.160 4.792 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@@H]21 2240964837 AXLIEFYVYMDSQL-XUWXXGDYSA-N 435.366 4.696 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@H]43)CCC2)OC1(C)C 2255797689 KDVQYOCFQMNSBJ-UWHLTILDSA-N 425.378 4.503 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CCCCCNC(=O)OCc1ccccc1 2264196982 ZHXSQTBGHWRUNN-JOCHJYFZSA-N 443.385 4.875 30 10 IJEE C=CCCC1(C(=O)N(C)Cc2ccc(Br)s2)CN(C(=O)OC(C)(C)C)C1 2266310258 NHHPQLKXKITUOD-UHFFFAOYSA-N 443.407 4.672 30 10 IJEE N[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 2268342201 FZEMDIXWWBSFRB-PKTZIBPZSA-N 449.348 4.796 30 10 IJEE C[C@@H](c1cscc1Br)N(C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280783403 KNNWAJQKDXQXEZ-NSHDSACASA-N 441.175 4.541 30 10 IJEE C=CCCC1(C(=O)N2CCc3ccc(Br)cc32)CN(C(=O)OC(C)(C)C)C1 2281013761 DOBPSBOTMHHKBT-UHFFFAOYSA-N 435.362 4.542 30 10 IJEE CC1(C)C[C@](C#Cc2ccc(Br)cc2)(OCCN)[C@H]1OCc1ccccc1 2296222098 OWXSTNPETSIOQJ-GMAHTHKFSA-N 428.370 4.530 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296278178 AYDFIHKINUWGNR-AFYVEPGGSA-N 433.390 4.696 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)C1CCCCC1 2296297051 VCYKKTPMLRJQPO-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CCC[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317307465 AXPIBTMTNHUWLH-GOSISDBHSA-N 431.386 4.832 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2317318300 OUAMIUZBMHXPRN-QHWMMSMNSA-N 439.644 4.574 30 10 IJEE C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN1C(=O)OC(C)(C)C 2317346387 HULWPMGTYOUDSY-VRLUQSRJSA-N 430.354 4.503 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]1(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317353506 IDWXTKWTSCJQCS-BWSGXRDBSA-N 430.354 4.505 30 10 IJEE Cc1cccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccc([N+](=O)[O-])c2)C4=O)c1 2322216651 ZVIMSNUEERUZHX-UHFFFAOYSA-N 428.444 4.872 30 10 IJEE CCCNC(=O)COc1c(C=CC(=O)c2ccc(C)cc2)cc(Br)cc1OC 2322600594 AMJPDTKRAMCJDG-UHFFFAOYSA-N 446.341 4.567 30 10 IJEE O=c1c(Br)c(NN=Cc2cccs2)cnn1-c1ccc(Cl)c(Cl)c1 2322667105 UNVFSDCQCCXJAL-UHFFFAOYSA-N 444.141 4.809 30 10 IJEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1OC 2323097738 GGTMJIDSAYWJEM-UHFFFAOYSA-N 434.444 4.760 30 10 IJEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccco3)C4=O)cc2nc1C 2323556958 LDEXNFMSFOKJRA-UHFFFAOYSA-N 426.428 4.983 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325118489 CWXVLFRTRJAQAB-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325549789 FRRCQSAMRMMVHM-UHFFFAOYSA-N 435.863 4.988 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccco1 2330076182 HYQRDKSQAUDOEI-SFHVURJKSA-N 445.548 4.944 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1cccs1 2331320652 QHQUFNDEZXYAHD-UHFFFAOYSA-N 427.599 4.912 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2cnccn2)cc1 2331636305 CTGSOQZYAMVVJC-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2339601570 ZYSCUJHIOQISQM-HKUYNNGSSA-N 444.381 4.893 30 10 IJEE O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21251667 AOGUESSFWQDPRA-DZGCQCFKSA-N 431.275 4.906 30 10 IJEE CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NC[C@H]2CCCO2)cc1 22691263 YURKOHNCLFSWAS-OAQYLSRUSA-O 425.618 4.541 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)c1 33454220 BEQWFNIIDBVOSN-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c(OC)c1 34954240 WQOKHCQBZUCMLY-WZUFQYTHSA-N 432.428 4.548 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 41292679 OVPNBQGUDBPWTG-YVNNLAQVSA-N 434.419 4.987 30 10 IJEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)c1cc2ccccc2o1 41352729 LAKKRHRKTBTVKV-YVNNLAQVSA-N 426.380 4.997 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c1OC 41354534 OLMHLPRQLBTDKM-NDENLUEZSA-N 436.485 4.838 30 10 IJEE CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2CC)cc1 100242614 MNZIBLXGBZNZMT-YQMDHOPXSA-N 431.945 4.719 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@H]2c2ccccc2F)cc1 103230249 IAUQXWDJDFJBGH-HQMFNGAOSA-N 438.480 4.696 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1CCCOC(C)C 169948343 OQTVMMHVQLVEPR-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 169961364 WQRVIGMHNRBNSC-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(F)cc2)cc1 170062210 KZLFMUCNKVUMGF-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 170063407 WNZKBWHXYWQMJU-QHCPKHFHSA-N 437.430 4.962 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c[nH]c3ccccc23)c1 170073225 KEGMRUNJILATJC-HSZRJFAPSA-N 432.520 4.788 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2c[nH]c3ccccc23)s1 170075005 HQFAGCLVFIBSTR-FQEVSTJZSA-N 445.500 4.730 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccc(C)o2)cc1 170102088 JYUDUOSGZQRRHY-QHCPKHFHSA-N 431.488 4.938 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)c1 170121593 ZPVRHWPHAWNISM-JOCHJYFZSA-N 447.487 4.971 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccs1 170166033 AMQPDJFIKAXRBL-QFIPXVFZSA-N 434.561 4.821 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)c(C)c1 170205383 XBEWTHFSGPLIIY-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(O)c1 170258594 GJLBFASKGKEDNQ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2OC)c1 170333093 NGXQCJMISFEZJA-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCOc2ccc(Cl)cc2)nc2c(C)cccc12 170509419 OWBKPBQLXBPVPO-UHFFFAOYSA-N 445.910 4.970 30 10 IJEE COc1cc(C=NO[C@@H](C)C(=O)Nc2cc(C)on2)ccc1OCc1ccc(Cl)cc1 254711408 ODBCNOANIQGJAU-HNNXBMFYSA-N 443.887 4.602 30 10 IJEE C=CCn1c(SCc2nc(-c3cncn3C)no2)nnc1-c1ccc(Cl)cc1Cl 445566655 ZBFKVUHDFQJYAX-UHFFFAOYSA-N 448.339 4.514 30 10 IJEE Cc1cccc(CN(Cc2ccco2)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 446622627 FEFTYQVPCTUIEA-UHFFFAOYSA-N 444.535 4.957 30 10 IJEE FC(F)n1ccnc1CN1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469447470 CKXCZOIRYSPIJB-CYBMUJFWSA-N 429.311 4.889 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 476148867 MYFBIPINTIGPCM-UHFFFAOYSA-N 440.609 4.894 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508476402 CZAHZQMTBFUJNZ-IRXDYDNUSA-N 427.549 4.892 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(F)(F)F)C1 508854497 CYXXOLPEASGKBY-NSHDSACASA-N 433.247 4.811 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OC)c2OC)c1 526489244 PKWYLYQQDPQPDT-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE Cc1ccc(SC2=C(N3C[C@@H](C)C[C@@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526685177 NZPLFBLTWCAQEY-HDICACEKSA-N 431.561 4.722 30 10 IJEE C=CCc1cc(CN[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc(OC)c1O 532322242 WOZXFDALKNAXBZ-INIZCTEOSA-N 441.881 4.565 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(N2C(=O)[C@@H](C)N(Cc3ccccc3)C2=O)cc1 557381752 FXTRNCWFFFKJIO-QGZVFWFLSA-N 427.460 4.716 30 10 IJEE CC(C)(C)c1ccc(OCC[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 586297816 GMOUZKIDVUGPED-PMERELPUSA-N 444.622 4.562 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnc(SC)c2)nnc1-c1ccc(Cl)cc1 678029744 FTGYFLRBSDBIFH-UHFFFAOYSA-N 431.974 4.632 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)c(Br)c1)c1cccc(F)c1 721305161 YKKPXZYMKKXWHM-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE C=CCC1([C@@H](Cc2cc(F)ccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722922986 NANURQSYBUGAHX-GOSISDBHSA-N 441.385 4.922 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nnc(-c2ccc(Br)s2)o1 745261492 YDSVUTPQKNBTAI-UHFFFAOYSA-N 435.303 4.657 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(O)c2)cc1 762444717 DZIBNXFBKZWPFB-UHFFFAOYSA-O 426.880 4.667 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)[C@@H](C#N)C(=O)N[C@H](CC)c3ccccc3)c2)c1C 787046464 PZPIMMRFTIJLNY-DNQXCXABSA-N 428.536 4.642 30 10 IJEE C=CC[C@@]1(C(=O)OCc2ccc(Oc3ccccc3)nn2)CCCN1C(=O)OC(C)(C)C 791718965 ZHJCEEZICUSRFX-DEOSSOPVSA-N 439.512 4.658 30 10 IJEE Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(F)(F)F)cn2)c1 804604000 JNXPTYBWOVUKJN-UHFFFAOYSA-O 441.458 4.891 30 10 IJEE COc1ccc2cc(/C=C\C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)ccc2c1 857627099 GHVNHOOUEPMKFY-OCOPJHETSA-N 446.528 4.854 30 10 IJEE N#CCCn1cc(/C=C\C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c2ccccc21 1087819022 LISKIDCYKPUDCP-RAXLEYEMSA-N 438.487 4.730 30 10 IJEE C=CCC[C@H](NC(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1ccc(C(F)(F)F)cc1 1127409913 DNSCSLBMEBKMMJ-FQEVSTJZSA-N 441.453 4.997 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1128161461 MKEFQBBJOGZQIH-SQFISAMPSA-N 445.441 4.762 30 10 IJEE COc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(C#N)c(Br)c2)cc1 1128805383 AFCMHTICKYZQSB-UHFFFAOYSA-N 442.338 4.943 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)COCCc2ccc(Br)cc2)C(F)(F)F)cc1 1128968430 MCRSTGXDJVNGIE-LJQANCHMSA-N 441.243 4.836 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)F)c1ccc(Br)cc1 1129610865 QRRLTRFVKQHDJL-KRWDZBQOSA-N 430.252 4.677 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@]2(O)CCCc3ccccc32)c1 1136776476 HQDQZLWNCWZCHH-VWLOTQADSA-N 432.907 4.958 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(Br)cc1 1139370550 AWZQQEDRSGRIOC-DOMZBBRYSA-N 431.758 4.662 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)C(=O)OCC 1140929400 HXYAKHQTICEOSM-OAQYLSRUSA-N 434.540 4.615 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1OC 1142988843 TXMZCIXTEKPDMH-UHFFFAOYSA-N 446.326 4.793 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(OC)ccc1O)c1ccc2c(c1)OCCO2 1144704392 ICFJBKRWRLJZBD-UHFFFAOYSA-N 447.487 4.584 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2cc(OC)c(OC)cc2c1 1148208832 XHLPKGAQDMHWAN-UHFFFAOYSA-N 429.476 4.860 30 10 IJEE C#CCONC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1Cl 1166328651 QBLXIWANOQNAHZ-UHFFFAOYSA-N 446.890 4.996 30 10 IJEE C#CCOc1cccc(Cl)c1CN(CCNC(C)=O)Cc1ccc(Cl)cc1Cl 1181212261 CCYPWSPUDFZNBS-UHFFFAOYSA-N 439.770 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 1181372316 IFKFFUBVNGORKQ-ZJSXRUAMSA-N 447.023 4.559 30 10 IJEE C=CCNc1nnc(SC[C@@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)s1 1188523376 XQHJDJBADLJUNR-OAHLLOKOSA-N 436.603 4.545 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C(F)(F)F 1207962049 FIXQNAIHHWTHRJ-UHFFFAOYSA-N 430.451 4.968 30 10 IJEE CC[C@H](Cc1ccc(Br)cc1)NC(=O)Nc1cc(C)c(N(C)C)cc1C#N 1219021658 CFLMYOMXVQPKFF-GOSISDBHSA-N 429.362 4.838 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCC3(c4ccc(F)cc4)CCCCC3)CC2)c(F)c1 1224768420 BASRNSKGHDDSNA-UHFFFAOYSA-N 438.522 4.570 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCc1c[nH]c2cccc(Br)c12 1229579408 FSUKJSGEGZTMHD-LJQANCHMSA-N 437.341 4.721 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1286300675 BONKUVLNYAOCSC-BCHFMIIMSA-N 438.616 4.554 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCc1nccs1 1286318675 VWVQGWXODVLGOQ-UHFFFAOYSA-N 430.581 4.741 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC=C(Br)C1 1286343051 TUDIHEIWCLWOHI-OAHLLOKOSA-N 449.780 4.974 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCNc1ncc(Cl)cc1Cl 1286364047 XNYPZWCIOOLQEH-GOSISDBHSA-N 443.382 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OC 1286421410 XYDNVLJVMAHHGS-LJQANCHMSA-N 442.991 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCCc1cccc(C)n1 1286529270 WYOSBYVPLBGHCJ-HHHXNRCGSA-N 443.595 4.748 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SCC)C1 1286532403 DCUWTQCAZOYHRQ-GOSISDBHSA-N 446.418 4.837 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@@H](C)C1 1286558817 QWLOGNZUIWHHFU-PNCHPQGNSA-N 430.543 4.755 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C2CC2)C1 1286603954 CTPIAHWRSGGTFI-INIZCTEOSA-N 449.368 4.676 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)c1ccccc1 1286616727 BVRMHGJNKQDGPL-QFIPXVFZSA-N 433.604 4.630 30 10 IJEE C=C(Cn1c(N2C[C@H](C(=O)NCCCC)CC[C@@H]2C)nnc1C(C)(C)C)c1ccccc1 1286619774 VZYLVPRNAWTDBC-RBBKRZOGSA-N 437.632 4.810 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)CC1)c1ccccc1 1286678320 VFCXYXDIQBJGFV-NRFANRHFSA-N 430.556 4.522 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CC(F)(F)F 1286691512 JICKHKYYLNBLBV-UHFFFAOYSA-N 447.299 4.974 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1286732136 KQQDVHZUFWMMHV-MJGOQNOKSA-N 432.515 4.614 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ncnn1-c1ccccc1 1286749520 VDBWVUIBSYXEDW-UHFFFAOYSA-N 447.612 4.750 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286763104 SXECBIJWAGJLGS-BRTYFSMRSA-N 445.611 4.703 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(COCC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286765609 GVUGMTRZZOSTRB-DLBZAZTESA-N 426.483 4.936 30 10 IJEE CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)C1 1288896010 GVJSGNVRNMCNNI-YADARESESA-N 435.597 4.658 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2Cc2nc(C(C)C)cs2)c1 1290053777 FIANKYFZHJEEHR-UHFFFAOYSA-N 436.585 4.534 30 10 IJEE CN(C)CCOc1cccc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 1292919489 IBLSHVWSJOROSB-UHFFFAOYSA-N 431.561 4.580 30 10 IJEE C=CCSCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1296286124 PBSNKIACWNRWSI-UHFFFAOYSA-N 446.638 4.742 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H](C#N)C3)ccc2C)cc1 1299756142 GOFNKXPKMRYBBX-SIKLNZKXSA-N 439.581 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)Cc1cccs1 1300275732 ZDIYSUDGQFEOGG-SQNIBIBYSA-N 426.561 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C2CC2)CCC1 1300321115 LBECAIAGAHCVFZ-INIZCTEOSA-N 443.389 4.658 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300392316 ROYKILQDPPHYCU-LJQANCHMSA-N 443.382 4.913 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CCCC2)C1 1300743014 DTNJDRPDRIHLLW-UHFFFAOYSA-N 432.540 4.683 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(C)CCCOc1ccc(F)cc1 1300830793 LGVHGAZMYNWMQJ-AWEZNQCLSA-N 425.346 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N 1300873277 INWPPWXNHIJNRJ-IIMDRIAPSA-N 443.979 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](OCC(C)C)C1 1300882542 VOWNIGRTODEYFT-KNKQGSTJSA-N 445.007 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCn1cc(Cl)cn1 1300900954 UYBZTOCRDRGMCE-INIZCTEOSA-N 432.931 4.510 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1301058832 ICRRGUGAGPTDHE-IBGZPJMESA-N 439.604 4.555 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCC[C@@H](C)C2)CC1 1301134214 FWJMKPGBVCUUKS-OAQYLSRUSA-N 437.632 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](COc2ccccc2)C1 1301154446 RWMHPTYFRLYAMW-QFIPXVFZSA-N 431.584 4.772 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC(C)C)C(C)C 1301189344 VCASFPJZZRELKW-HXUWFJFHSA-N 449.640 4.814 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1C[C@H]1CCCc2cccnc21 1301355284 UKEFLZZGKQZHJI-OAQYLSRUSA-N 435.547 4.661 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1CCC(OC)CC1 1301359833 QEFRJXZFQZDOAP-UHFFFAOYSA-N 425.602 4.743 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)CCC 1301482067 RXYBKNTTXKOBJC-AWEZNQCLSA-N 431.993 4.740 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OC)C1 1301620206 CXKCVJAPGCESQP-NRFANRHFSA-N 444.645 4.689 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CC(C)(C)C1 1303065292 AFSCCDKCSYBTHH-UHFFFAOYSA-N 447.587 4.796 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1304672910 ZHCWMGLWOMICGN-OAQYLSRUSA-N 426.582 4.884 30 10 IJEE Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 1307283113 FVOQIPCLPJHDJC-HNNXBMFYSA-N 429.826 4.971 30 10 IJEE Cc1ccccc1CCN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1307793028 FUTGFRSOHHOOIK-UHFFFAOYSA-N 432.543 4.585 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 1310571538 BDYYJAVAZGYPJY-OAQYLSRUSA-N 441.572 4.588 30 10 IJEE Cc1ccc([C@H](CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)N(C)C)cc1 1310719380 AXNJEHXNRHAQPI-QFIPXVFZSA-N 444.583 4.774 30 10 IJEE Cc1c(NC(=O)Nc2ccccc2O[C@H](C)C#N)nnn1Cc1ccc(C(F)(F)F)cc1 1322728619 BIQGANHOZKPNDJ-CYBMUJFWSA-N 444.417 4.589 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 1350521876 GIPKARHWPUFMCF-UHFFFAOYSA-N 449.558 4.615 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(OC3CCCCC3)nc2)CCCN1C(=O)OC(C)(C)C 1352317353 BXZGIMSIXGUNCX-VWLOTQADSA-N 443.588 4.755 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)Cc3ccccc3S(=O)(=O)C(F)F)c2)cc1 1353070752 DTRQRIZHZJJVOK-UHFFFAOYSA-N 442.443 4.528 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc(OC)cc(OC)n1)c1ccc(C)c(C)c1 1353404093 PMWIVPPDVVZWTA-UHFFFAOYSA-N 433.508 4.522 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 1353728614 ZAEYCZIPFNEYEG-UHFFFAOYSA-N 434.927 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(Cl)s1 1359071591 WAGPJJOGEWFPEM-OAQYLSRUSA-N 432.927 4.902 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCCN1CCCC[C@@H]1C 1359074063 PDPNRYYOMXHBMB-WXVAWEFUSA-N 449.643 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC[C@@H]1C 1359110639 VTVDYKLQQDNDGN-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1359134924 LTGUZPAIQOPQKI-MRXNPFEDSA-N 432.540 4.999 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1359160426 UVPJULPOPHGGDE-LEWJYISDSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359199996 PAQHEXSIUGGRNS-QGZVFWFLSA-N 448.398 4.809 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)cs1 1359255371 VXLZTTLKTMDIEG-FQEVSTJZSA-N 439.585 4.534 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCc2ccc(Cl)s2)C1 1359322809 CDHRAXJXXKDEIF-LJQANCHMSA-N 443.016 4.916 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1359337181 LGEYGEPYINHGCC-SFHVURJKSA-N 434.053 4.686 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1359344985 OYHOTYIBCSQTPZ-IRXDYDNUSA-N 427.643 4.600 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nccs1)c1cccnc1 1359658570 DPLPTPVOAUZMBK-NRFANRHFSA-N 443.580 4.744 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCS1 1360744776 ALGYWOMAWWKIIA-DKZVUGQWSA-N 429.565 4.583 30 10 IJEE Cc1cc(Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H](C)C#N)cc(N2CCCC2)n1 1361073283 GKQXMTLSZAGSHN-QGZVFWFLSA-N 449.990 4.546 30 10 IJEE C=CCOc1cccnc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1CCC 1435678647 LQIAOVSALPYTAG-IBGZPJMESA-N 433.474 4.796 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 1436646200 ZJSAUSOJYUDUOC-SFTDATJTSA-N 428.548 4.824 30 10 IJEE N#Cc1cccc(NC(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)c1Br 1436895475 ATSFKHXBZNNSFI-NUEKZKHPSA-N 432.115 4.608 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cc(Cl)nc([C@H]2CCCO2)n1 1458081266 ZHFOKHNHVBAJQV-OAHLLOKOSA-N 447.923 4.628 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cc(F)ccc3[C@@H]2C)n(Cc2ccc(F)cc2)c1C 1460722594 DFFMGQGLQPUBBZ-SFHVURJKSA-N 448.517 4.861 30 10 IJEE Cc1ccc(C)c(Sc2ccc(NC(=O)CN3CCc4c(sc(N)c4C#N)C3)cc2)c1 1460893422 DUKAICCQTGSBAS-UHFFFAOYSA-N 448.617 4.967 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)/C(C)=C\c3c(Cl)cccc3Cl)c2C#N)C1 1461785365 GMSQXMBJNNPPRB-FLIBITNWSA-N 434.348 4.873 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1462637084 YJCOUGLVKOECAG-HYBUGGRVSA-N 438.612 4.923 30 10 IJEE C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1cccc(OCc2ccccc2)c1 1463639095 GCPXVHVXBCLYMC-INIZCTEOSA-N 426.925 4.830 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CCC 1464571948 DUZNKGMWCYOLMJ-MHECFPHRSA-N 431.536 4.668 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)c1 1464866830 FBOJSAZZRIATGT-LJQANCHMSA-N 443.341 4.659 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](C3CCCCC3)C(F)(F)F)CC2)c(Cl)c1 1466232716 HSWZEBRNQMANDG-GOSISDBHSA-N 428.886 4.554 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(OC)cc1 1466816712 LRADUBUUXAHUBO-VBKZILBWSA-N 449.345 4.920 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(Cl)cc1 1466850174 YLGPVHPKHQUNJV-XJKSGUPXSA-N 429.757 4.664 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1Oc1ccccc1 1467366502 GJPRDALMGIWSCB-GPXOXTDOSA-N 446.478 4.844 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c1ccncc1 1468884301 MURFLAFJUKBWOX-NHCUHLMSSA-N 442.604 4.766 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C)o2)ccc1Cl 1470256840 BNCOOJAQTVLDLP-UHFFFAOYSA-N 445.928 4.578 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C)C(=O)OC 1471895125 LBZIQESESMQCCH-QFIPXVFZSA-N 436.508 4.651 30 10 IJEE Cc1cc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)cnc1Br 1473241743 SJGANKWSKWZDGY-UHFFFAOYSA-N 448.324 4.813 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)cc1 1476042067 YVZVVIALEJSLJM-UHFFFAOYSA-N 449.551 4.778 30 10 IJEE C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1476056540 GXEPTPYPTQWDJO-ZYSBOAIWSA-N 434.521 4.708 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC[C@H](C)Sc1ccc(Br)cc1 1476223522 VZHFHONNJSIHRQ-ZDUSSCGKSA-N 437.334 4.903 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@@H](C)C2)cn1 1501250011 DNKAJZNXRALQIM-KDURUIRLSA-N 430.556 4.531 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N(CCC#N)CC2CC2)CC1 1504465123 HOQAIYGSZGBEIK-UHFFFAOYSA-N 432.572 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507521985 FBKISSLUAHFWDD-AQNXPRMDSA-N 433.600 4.906 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(CC)C1 1507571385 YWPHNXKHUPAGIR-AREMUKBSSA-N 438.616 4.963 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1507575340 DYSACYHPRZZETK-GOSISDBHSA-N 439.585 4.592 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(CC=C)CCc1ccco1 1507579226 PBUBKRCSFBYEEG-UHFFFAOYSA-N 439.357 4.949 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(CCC(F)(F)F)CC1CC1 1507794971 GRRWODOSSUKSEK-IEBWSBKVSA-N 438.494 4.997 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1507880535 KAYOELMGLXWDKL-CTNGQTDRSA-N 439.560 4.851 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1508048843 RURMQSJOHAQGGP-GSEOLPGOSA-N 430.980 4.593 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccccc2-c2cnn(C)c2)s1 1520940253 FXGSVWIBIGEVDB-UHFFFAOYSA-N 433.002 4.556 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COc1c(Cl)cccc1Cl 1525050146 MYQNYWXOIJGPIG-UHFFFAOYSA-N 425.264 4.502 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)nnc1-c1ccco1 1526899613 YKXHKFCTFGIZKM-QGZVFWFLSA-N 440.569 4.938 30 10 IJEE C[C@H]1CCc2sc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)c(C#N)c2[C@H]1C 1527535015 HDSPOKIKYFGNSS-STQMWFEESA-N 436.986 4.761 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c21 1528066166 NOXVMDDLJDNLHO-KRWDZBQOSA-N 430.430 4.801 30 10 IJEE C=CCc1ccc(OC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)c(OC)c1 1529603931 FOIKTPMNYHLSAA-XMMPIXPASA-N 429.472 4.585 30 10 IJEE COC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)n(-c2ccccc2)n1 1534583416 FGQJVFVYDSXXLY-KGLIPLIRSA-N 434.521 4.530 30 10 IJEE C=CCC[C@H](C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1536294697 VQEHQBCAXBHHCP-ICSRJNTNSA-N 427.342 4.569 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1536804467 GXOGIKLLHTWJMT-SJLPKXTDSA-N 430.474 4.514 30 10 IJEE C#CCN(C(=O)C[C@]1(C)CC1(Cl)Cl)[C@H]1CCOc2ccc(Br)cc21 1538198663 JUVVOWQKAVOADU-WMLDXEAASA-N 431.157 4.709 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC(F)(F)C1 1538991893 GIXQEZYPSRYPAV-SJORKVTESA-N 432.515 4.634 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](OCCC)CC1 1539104126 DAWIZGPQGWIQGK-IBGZPJMESA-N 430.980 4.806 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(CC(C)C)C(C)C 1539134251 UMFNKCWKCGUQGN-UHFFFAOYSA-N 433.394 4.904 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC(=C)C 1539504426 GHZQVEDYZHFXKQ-UHFFFAOYSA-N 437.382 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C)C1 1539617384 WDJFEIVNUJQVHS-MRSOFBGISA-N 428.552 4.631 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1539686084 FAWYRXXILVQUBE-LJQANCHMSA-N 442.361 4.962 30 10 IJEE C=CC[C@@H](OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 1539697063 PEEBNVCNXUZRNT-LJQANCHMSA-N 430.291 4.752 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1539735274 IGRYDJFEJWVAGU-MOPGFXCFSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1539856169 SKQVHRHSLYAIOD-IBGZPJMESA-N 438.494 4.598 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539999037 VYCZFGDWPGOANJ-WOJBJXKFSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1Cc1c(C)coc1C 1540128165 JKVGAYZWMUECAC-HSZRJFAPSA-N 431.540 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1Cc1c(C)nn(C)c1C 1540140196 LVMFRNPCTBJSSH-UHFFFAOYSA-N 448.596 4.606 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](C)[C@@H]3c3ccc(C)cc3)ccc2c1=O 1544500964 FNQQKQMZJKBIOZ-HTAPYJJXSA-N 433.577 4.793 30 10 IJEE C=CCn1c(SCC[C@@H]2CCNC2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1559315671 DKMDUBPLGKAPGU-RDJZCZTQSA-N 444.670 4.962 30 10 IJEE C#CCOc1ccccc1NC(=O)N1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC 1562640295 JAGSAXRWSNPPKY-FCHUYYIVSA-N 449.551 4.742 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCN(c3ncccc3F)CC2)cc1 1562811852 CHOCCYPQBHJAIR-UHFFFAOYSA-N 433.512 4.598 30 10 IJEE C=CCCC1(CNC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CCCC1 1564054306 FJBZLBRAOYFMTJ-QGZVFWFLSA-N 425.495 4.990 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CC(F)(F)CO1 1587575580 YJJVBSQBDSCQRK-OLZOCXBDSA-N 436.915 4.695 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)C1 1587997963 LZJXIGWGXSSVSL-CYBMUJFWSA-N 429.303 4.832 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589514696 HTCNOIVDKBRKLW-PFRQMTDMSA-N 434.506 4.793 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccccc1F 1589560344 ZEUKIUQSXSJUNJ-FPGHNAPASA-N 435.547 4.582 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(CCOC)Cc1ccc(C)o1 1589731872 YAGYUXPMSIKOJE-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(Cl)nc2)CC1 1594430693 PKOLJNLEOKUSSW-UHFFFAOYSA-N 437.975 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1594491674 HTUHZIDUWCHTCM-SJORKVTESA-N 445.633 4.719 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1cnn(CC(C)C)c1C 1595115742 MFVWIFYORPYHRG-DEOSSOPVSA-N 448.615 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@@H](C)C1 1595166260 RSFFYVOODSKAKR-JKBKZWBZSA-N 430.618 4.692 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1595461501 XSNDHTXBYMVFQK-BHDDXSALSA-N 442.579 4.707 30 10 IJEE Cc1ccc(-c2csc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)c2-n2cccc2)cc1 1611252025 HCUMBHJYWUAVQS-JOCHJYFZSA-N 432.593 4.820 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(C3CCCC3)nnc2N(C)[C@H](C)CC#N)CN1Cc1ccccc1 1612680007 HFISRKWLOZZZHP-MQSCRBSSSA-N 434.632 4.975 30 10 IJEE C=CCn1c(S[C@H]([C@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CC[C@H](C)C3 1613104931 VGQZLONPHTUKKU-MQIPJXDCSA-N 444.544 4.828 30 10 IJEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccsc2)CC1 1619565074 FQBURZLBPFMSNG-UHFFFAOYSA-N 435.597 4.935 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](CCC)C(=O)N2CCc3sccc3C2)cc1OC 1620766485 WTMGJGZPCUVLMI-IBGZPJMESA-N 449.016 4.818 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 1620838593 XAKPJZAKAILBQI-UHFFFAOYSA-N 433.208 4.647 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 1624750384 WLCKFOLZAHUAHF-UHFFFAOYSA-N 447.507 4.932 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 1625074372 RWKMNPPZOBLXIL-HNNXBMFYSA-N 429.483 4.960 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(Cl)cc1F 1635191711 NYBPBTCWWAIZGL-FPOVZHCZSA-N 442.918 4.804 30 10 IJEE CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1635881760 DJPHCWFRBYIUNJ-UHFFFAOYSA-N 435.524 4.787 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccc(OC)cc2)C1 1637539961 OOMDXSQWVALXLM-LEWJYISDSA-N 445.604 4.690 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@H](C)CC3 1638988249 WHSQWJGLXYYCQD-SJLPKXTDSA-N 435.593 4.758 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)CCCC1 1640592115 BEARNFJYCWZGPV-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE C=CCn1c(SCc2ncc(Cl)nc2Cl)nc2sc3c(c2c1=O)CCCC3 1643476855 QSIKDAUZUJPIBX-UHFFFAOYSA-N 439.393 4.912 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1644041814 INIGAZWDTMZTEN-NJDAHSKKSA-N 444.575 4.860 30 10 IJEE COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1ccc(C#N)cc1OC(F)F 1652880381 CHSCNIWNKVVARG-KRWDZBQOSA-N 429.250 4.813 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1652967423 NSBAFJVWFFFIKY-UHFFFAOYSA-N 443.513 4.612 30 10 IJEE C=C(CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OCC)cc1)C(=O)OCC 1656025148 CANYCUZIRZYMJG-UHFFFAOYSA-N 439.537 4.553 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)C[C@H](O)c2ccc(F)cc2)cc1OC 1657699515 LRBSNVHHCDZWNI-KUHUBIRLSA-N 438.337 4.763 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)c(C(F)(F)F)c1 1661633672 IDVMHFZGIHYAAV-FQEVSTJZSA-N 448.441 4.978 30 10 IJEE Cc1cccc(CN(CC(C)C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 1666736325 GDFZYROLMGKJED-UHFFFAOYSA-N 439.350 4.615 30 10 IJEE C=C1CCC(CNC(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)CC1 1667068131 HOTQMKJQTHETTH-UHFFFAOYSA-N 434.508 4.807 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 1670428557 VCRANKJUKPBSMY-KRWDZBQOSA-N 430.373 4.956 30 10 IJEE Cc1ccc([C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)[C@@H](C)S(C)(=O)=O)cc1 1671685825 FGRNGRJARRKHDT-KDOFPFPSSA-N 433.599 4.522 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(NC(=O)CCCOc2ccccc2C)cc1)C(C)(C)C 1675813313 FRAPYWLBXBCPPA-HSZRJFAPSA-N 435.568 4.640 30 10 IJEE C#C[C@@H](NC(=O)NCCOc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1676835851 UWGPZQPJXSGINR-QGZVFWFLSA-N 441.247 4.520 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1677240417 LQTCWKIWCVOSIT-DHIUTWEWSA-N 439.987 4.556 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c(C2CC2)n1)c1ccc(Br)cc1 1678091476 REERXCPGBIHZJK-OAHLLOKOSA-N 449.146 4.980 30 10 IJEE C#CCN(C(=O)NCc1ccc(OC)c(Br)c1)[C@@H]1CCCc2ccccc21 1678213756 SGXMNLLFLFVUQN-HXUWFJFHSA-N 427.342 4.680 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1)c1ccccc1 1680742861 BLEBTVHIDMBBMM-LOSJGSFVSA-N 432.564 4.910 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1683050813 CGCQIARZDKJGSY-YPAWHYETSA-N 443.588 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1coc(-c2cccs2)n1 1689858008 GQLOSSVEIZRTGV-GOSISDBHSA-N 431.565 4.676 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1689919497 PVDMTIXJNNGRBX-UHFFFAOYSA-N 433.531 4.503 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCOC1 1690059720 WJDWNYWKQFMRIN-RTBURBONSA-N 430.980 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CC)N1CCCC1 1690060716 GDJWFXSORMJMPA-QHCPKHFHSA-N 444.627 4.687 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C1CCCCC1)N(C)C 1690060879 LMVLRFJMSCZTEX-DEOSSOPVSA-N 433.644 4.718 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(Cl)s1 1690159691 JRBINJIEQCURHI-UHFFFAOYSA-N 433.002 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC1(CC)CC1 1690196748 WTQPMGUDUVLIEL-OAQYLSRUSA-N 443.389 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCCO1 1690259245 BWSYKVDZOLLKSY-HXUWFJFHSA-N 428.577 4.712 30 10 IJEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1690340106 FQATVLOLGXDYQT-SFHVURJKSA-N 449.864 4.689 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](CC(C)C)N(C)C)CC1 1690402721 NPLOKTGVFBNDBP-QFIPXVFZSA-N 447.631 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCN(CC)C2)CC1 1690404805 SAKHIAHWTXJLQL-QGZVFWFLSA-N 434.415 4.996 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@H](C)C2)CC1 1690416996 ABHSAZOECWNITG-ZIBCJSCZSA-N 443.636 4.887 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1690439364 DBICCPWKGKZVFX-TZIWHRDSSA-N 442.652 4.786 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2c(ccnc2O)C1 1690451770 OVTVHMKNFXJTGC-QGZVFWFLSA-N 437.519 4.577 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(Cl)cc2C1 1690469370 MYYTYYFUDNQQIO-RXVVDRJESA-N 430.980 4.575 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(NC(=O)C2CC2)CC1 1690476856 RNCDBFPUGJITOU-UHFFFAOYSA-N 448.398 4.713 30 10 IJEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1690530286 LXMRSMZVRGAWBU-WMZOPIPTSA-N 432.494 4.508 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(Cn2cccn2)cc1 1690573979 KRQPLNWFFRTYEZ-UHFFFAOYSA-N 432.597 4.949 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1cccc(COC)c1 1690578115 QWBVUFXBFMRPCX-JOCHJYFZSA-N 438.597 4.969 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](C)C1)C(C)C 1690581768 YLIQVBXARACZTE-IMSXRSKXSA-N 432.616 4.608 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C 1690603549 DEFAKKVGKKGGGU-YADHBBJMSA-N 426.605 4.816 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2)CC1 1692659532 GLJWHPXHDQUIAV-OAHLLOKOSA-N 439.361 4.506 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccccc3Cl)n2CCCC2CCOCC2)CC1 1698491417 AUWVVYCPCAOGBW-UHFFFAOYSA-N 427.980 4.935 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)CC1 1705510580 UBUIATDUDNIYFS-JOCHJYFZSA-N 435.616 4.513 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCCc1ccccn1 1705526491 GLOXWHXRJRBSLE-UHFFFAOYSA-N 438.373 4.585 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1705535154 CFAGIZUIPDOBNZ-FCHUYYIVSA-N 442.554 4.735 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@@H](C)[C@@H]1C 1705536431 HVOMHVPMSBVCLU-OALUTQOASA-N 447.048 4.995 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](C)N1CCC(C)CC1 1705547889 UKSPBFYLHOLRJO-JOCHJYFZSA-N 437.632 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H](F)c1ccc(Br)cc1 1705597206 YUESNSAGVLTQPQ-FQEVSTJZSA-N 443.364 4.872 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1705656842 KXXQGFRHIFLDBG-UHFFFAOYSA-N 438.641 4.876 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)c1nccs1 1705668508 NSQRBSJAELYVII-SAHWJRBASA-N 439.560 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCOC1CCCC1 1705677364 LSDMFBKATIKAPB-AREMUKBSSA-N 436.600 4.815 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(Cc1cccc(F)c1)C(C)C 1705707887 UFQNJZMLDCIKJP-KSEOMHKRSA-N 428.552 4.665 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCCC2)C1 1705746918 BADNBNNTPQCXJV-KRWDZBQOSA-N 434.943 4.849 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2ncc(CC)s2)CC1 1705771535 YBERCGIGKXWAQK-UHFFFAOYSA-N 437.613 4.892 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCCC(C)(C)C2)CC1 1705771917 FQBNFATYKDROIJ-UHFFFAOYSA-N 437.632 4.698 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1705809256 LTGLUHVWRMGQDA-LJQANCHMSA-N 449.393 4.511 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1705822410 DCVJHHOPFRCZIT-UHFFFAOYSA-N 432.012 4.787 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCOC[C@@H]1C)C(C)C 1705867960 YLXWMKDXBSLFGT-SIKLNZKXSA-N 444.023 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[C@@H]2CC)C1 1705928646 GXSICGBLNKQHBX-SLFFLAALSA-N 428.552 4.604 30 10 IJEE C[C@H]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 1708039964 AWUCSUXEKNFWGA-ZFWWWQNUSA-N 434.407 4.945 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1708590554 AFMCLZPYGVXPKR-QGZVFWFLSA-N 438.963 4.817 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1722311414 VSTNAEMYZYEPJD-UYAOXDASSA-N 427.574 4.767 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722327468 LPNBYOMKCLDHSV-OFNKIYASSA-N 448.533 4.763 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C/c1ccccc1 1722411382 FHOJZWQLQWRWNG-DAXPHYLKSA-N 449.599 4.566 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(C)CCCS1 1722421276 OLYYAJVSFFEBHP-UZUQRXQVSA-N 444.670 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)OC1CCCC1 1722491713 BLQLLDHJNYGDRY-XLIONFOSSA-N 448.514 4.838 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1722525819 MXNXPVXIUSJGNO-UHFFFAOYSA-N 435.597 4.902 30 10 IJEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccccc1C 1722553725 GGEPAAMSWXJVJH-SFHVURJKSA-N 441.988 4.672 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccccc2)C1 1722558068 CQMSPQNUJQYKBW-HSALFYBXSA-N 430.980 4.527 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(c2ncc(C)s2)CC1 1722592471 VOJNNMKYCLZXHL-IBGZPJMESA-N 429.634 4.923 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1722594287 IYUPUFDIJGLPPT-QNWVGRARSA-N 432.616 4.562 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCO[C@H]1C 1722594954 HLJJQYVLZJOPFK-RXFWQSSRSA-N 440.632 4.965 30 10 IJEE C=CC[C@@H](Cn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1C(C)(C)C)c1ccccc1 1722597595 UYXUDMCKHQQVCH-UVKLAMSESA-N 437.632 4.819 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1722621189 WTUWIKHKKJSWHU-OTTFNGSOSA-N 444.645 4.537 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1722734535 DUALQEIMHPOZJZ-UHFFFAOYSA-N 439.532 4.976 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1740565482 AVMUUBHLUPNKJN-IYBDPMFKSA-N 431.378 4.612 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H](C)C1 1740574199 FDMWDEOLMJAVAX-PWRODBHTSA-N 443.636 4.678 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc2c(n1)CCCC2 1740613674 PYVGSRKVQVPHBD-UHFFFAOYSA-N 443.595 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)C1CC1 1740753651 MOFCVUFDFJECEW-VQIMIIECSA-N 431.378 4.678 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCCCC2)CC1 1740819697 ZWCSHQLRSKCCID-UHFFFAOYSA-N 431.378 4.559 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2cccc(C)n2)CC1 1740821451 JQHLRRRXGQZRNC-UHFFFAOYSA-N 447.583 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740821783 RBYNWRDTQRXKPM-HXUWFJFHSA-N 425.577 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1740852761 SHSAWJFDNLKGGX-ROUUACIJSA-N 429.634 4.887 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1740859175 HPPZZWXNPKQRIL-NRFANRHFSA-N 440.485 4.970 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1748736240 LHKKKLANBYMTHO-RBBKRZOGSA-N 432.572 4.523 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(CC)s1 1748901105 SIJRXMJRNHLWFZ-UHFFFAOYSA-N 432.593 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1749063859 HAHVFWKOYKTECR-SIKLNZKXSA-N 445.464 4.897 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(CCOC)CC(C)C 1749127914 PUVKJFDCODAQPR-WMZHIEFXSA-N 437.588 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 1749139865 JPUXLAKHAGRILL-MDNUFGMLSA-N 440.588 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC(=O)NC(C)(C)C 1749144024 RFXBFGAPLNALPS-QGZVFWFLSA-N 448.011 4.779 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1749147851 RQBIZWOGHQZJNZ-BJLQDIEVSA-N 440.588 4.810 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749174980 KBSRDMVXHOKSMF-SFHVURJKSA-N 431.968 4.620 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1749210223 DSHYMEWAXOGPIV-SFHVURJKSA-N 432.996 4.526 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1749257897 FQAZYDCPBQMTKE-HZPDHXFCSA-N 437.009 4.824 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCOc2ccc(F)c(Cl)c2)CC1 1749334442 CXSJOAPTJIMNFM-UHFFFAOYSA-N 427.911 4.614 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1749377502 VPRBHQANBUVGPD-LJQANCHMSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(C(=O)N(C)C)c1 1749473303 DUTYZRPMNZRVQH-UHFFFAOYSA-N 449.624 4.648 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@](C)(CC)O1 1749586925 AOFMZRDOQQPGDE-BVAGGSTKSA-N 445.567 4.993 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN(CC)C(=O)OC(C)(C)C 1752610443 ALSRBPNWGXELDD-SFHVURJKSA-N 440.592 4.557 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1CCN(C2CC2)CC1 1760106058 XTOKTDZDSIGUOL-NRFANRHFSA-N 449.643 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cn2ccccc2n1 1760106933 PNMKVWFBAOHCJP-HNNXBMFYSA-N 439.350 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1Cc1ccc(-c2ccsc2)nc1 1760123010 WPAHBDFCHFMYQO-LJQANCHMSA-N 443.576 4.795 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1nc(C(C)C)cs1 1760240389 PTIBUGSCHIQVNE-UHFFFAOYSA-N 425.577 4.983 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(CCC(C)C)CC2)CC1 1760386239 PGSHUROBUMRBEM-UHFFFAOYSA-N 437.632 4.868 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1760390897 OBACTUYCHBCUDS-OAQYLSRUSA-N 439.604 4.637 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC=CO1 1760418995 DNLLHNAFIZIBSL-SFHVURJKSA-N 448.409 4.921 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760422410 HBMZCQKNOCEDHM-FDDCHVKYSA-N 430.980 4.729 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCC1 1760484011 JWAJNSTVFNYJRS-QGZVFWFLSA-N 442.560 4.726 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC(F)(F)CC1 1760561033 NTUPPLZKCAZPMF-UHFFFAOYSA-N 449.390 4.924 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[C@H]2CCO[C@@H](C)C2)c2ccccc2n1 1761674433 DXQFOYJHESGDFK-AABGKKOBSA-N 432.572 4.745 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[C@@H]2CCO[C@@H](C)C2)c2ccccc2n1 1761674435 DXQFOYJHESGDFK-HSALFYBXSA-N 432.572 4.745 30 10 IJEE CCC(CC)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](F)(C#N)C1)OC 1762125116 CSAHWOUDAWNYJX-JOCHJYFZSA-N 445.608 4.923 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCSC[C@H]2C)on1 1762176626 FBLHQEWFGHLHAE-MRXNPFEDSA-N 436.585 4.698 30 10 IJEE COc1cc(C=NNc2nnc3c(n2)[nH]c2ccccc23)ccc1OCc1ccccc1C 1772765109 SURKNXSVIKXODN-UHFFFAOYSA-N 438.491 4.848 30 10 IJEE O=S(=O)(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1858606384 SEEXJWQXYYQFRO-UHFFFAOYSA-N 446.369 4.539 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1C#N 1860632962 OCZVHNSQXHINCC-UHFFFAOYSA-N 434.565 4.889 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2C(=O)O)cc1 1862394561 HCDBSKXQOFDEGZ-QFIPXVFZSA-N 435.520 4.962 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 1862443763 SIWSDQZAAKAJSM-QFIPXVFZSA-N 440.971 4.959 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1 1862476106 BVPSGOOHDQUKOU-JOCHJYFZSA-N 449.890 4.838 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862476817 FGJJYLLCKDMTOF-QHCPKHFHSA-N 446.572 4.944 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)cc1 1862507506 NBPTYALXIBPBOH-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)c(OCC)c1 1862623150 RESHZMMWRBDUED-QFIPXVFZSA-N 435.520 4.853 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(OC)c1 1862653626 SZGICZKRRRTNKV-CMJOXMDJSA-N 431.488 4.931 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC)c1 1862653871 UFFBQTXCXWZETQ-XMMPIXPASA-N 445.515 4.853 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862679181 WVNAPZBNWOSMKX-OAQYLSRUSA-N 437.467 4.825 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1C(=O)O)c1ccc(-c2ccccc2)cc1 1862726756 OFHBFLDNHGEZJW-HSZRJFAPSA-N 439.467 4.793 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1CCc1cccs1 1862746528 GQLGTPOSIJKMTJ-NRFANRHFSA-N 448.500 4.786 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(Cl)cccc1Cl 1862760350 MQHZECNSWBAJAZ-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE Cc1ccc(C)c(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)c1 1862954010 XDYWODSJIDQORT-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(OC)cc2)C1=O 1863672353 MWVSHKXCCWSWKC-JOCHJYFZSA-N 442.600 4.684 30 10 IJEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1ccc(C(C)(C)C)cc1 1870136928 QPCREBKPUARFED-UHFFFAOYSA-N 437.931 4.886 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(Cl)cc2)cn1CCC 1870777808 WNZQTWJHLBTSSL-UHFFFAOYSA-N 430.976 4.934 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871009505 ZFQZJQWGFSIFBC-UHFFFAOYSA-N 426.438 4.848 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)C(=O)Nc1ccc(F)cc1 1871400862 NGYGICMXAPGTOH-JCRYTKJOSA-N 448.406 4.756 30 10 IJEE C=CCOc1ccc2c(c1C)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871410422 XGOOHIYKDIPXQY-NVMNQCDNSA-N 429.266 4.805 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871427314 YDGNCXJBKQUOPB-MOSHPQCFSA-N 425.437 4.632 30 10 IJEE O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 1871434445 SIMMEWBCMDTNKJ-HOEBFWFUSA-N 449.390 4.796 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccc(OC)cc4)ccc3C2=O)cc1 1871444015 OHKOKMFMDOXCSN-QFEZKATASA-N 443.499 4.569 30 10 IJEE N#Cc1c(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)sc2c1CCC2 1871461489 NZUPQPRRGSYJCT-UHFFFAOYSA-N 442.496 4.899 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871901257 IAXQUTDIESIVFJ-FQEVSTJZSA-N 444.597 4.605 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871965701 FQBNLEXEZNWJNG-QFIPXVFZSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872080312 OMCLUQCMZALZOM-HSZRJFAPSA-N 428.598 4.788 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872520994 BZQJQBWWHHXPGG-FDDCHVKYSA-N 428.598 4.842 30 10 IJEE CC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763205 HCBVGFOKOSKZSA-QGZVFWFLSA-N 441.306 4.988 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCc3ccccc3F)ncnc21 1873636997 IPYQHKGOEAQXJJ-UHFFFAOYSA-N 431.471 4.629 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1ccc(Cl)c(Cl)c1 1873710724 RKBMRQBUJXRUOT-UHFFFAOYSA-N 446.359 4.996 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccco2)c1 1874310008 ZDGRGAHQJSAFHE-MFKUBSTISA-N 436.512 4.979 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874477506 CIIAMADTIMMKKI-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C(C)C)cc1 1874508939 CSWLCLVGWSPTLX-BUVRLJJBSA-N 437.569 4.803 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874508976 FHTHMRCBYYVNGX-FOKLQQMPSA-N 431.924 4.807 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Br)c1OCCCO 1874612571 AWPWCWWSLNEXLK-QPJJXVBHSA-N 441.268 4.783 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cnccn1 1875105775 LSADIEHLSVAJSF-QHHAFSJGSA-N 429.259 4.907 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 1890587473 ZTJLUFKIZCHPFK-IBGZPJMESA-N 432.549 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922101555 YMVKNQSYBFCFKH-BJKOFHAPSA-N 440.584 4.587 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 1922107113 JJNTZUKWIHKUCM-NRFANRHFSA-N 428.577 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@](NC(=O)OC(C)(C)C)(C(C)C)C(F)(F)F 1939658040 SNBYQGBYAMNACN-RXVVDRJESA-N 430.511 4.829 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCN1C(=O)OC(C)(C)C 1999878515 DSALCWCHRQMZAY-FDDCHVKYSA-N 431.533 4.728 30 10 IJEE CCN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2118192299 NSPNLXZVPIUXEP-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CCC1(NC(=O)OC(C)(C)C)CCN(c2cc(Br)cc(F)c2C#N)CC1 2118198356 GCVXFWVJMQQDEZ-UHFFFAOYSA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(C#N)c(Br)c2F)C(C)(C)C1 2132479302 GCHFZTWBLNEJJW-GFCCVEGCSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(c3cccc(Br)c3C#N)C2)C1 2174812108 HERDGNIDZDANPD-HNNXBMFYSA-N 434.378 4.794 30 10 IJEE CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(C#N)cc1Br 2181052955 IQJFHPXQDITNBV-AWEZNQCLSA-N 438.366 4.980 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C(C)(C)C1 2181107525 JHASSVJEKWNNHN-CQSZACIVSA-N 436.350 4.542 30 10 IJEE CCC[C@@]1(C(=O)Nc2ccc(Br)cc2C#N)CCN(C(=O)OC(C)(C)C)C1 2181135302 PAPJMGVQQDKFCH-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2235730774 PASYUSMMQGUJKX-NLWGTHIKSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)C#Cc2ccccc2Br)C1 2235735638 ZIDBOTHSJORXGZ-QGZVFWFLSA-N 432.358 4.797 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3scc(Br)c3Cl)CC2)OC1(C)C 2253616846 PBBDBCJXMYFVGK-UHFFFAOYSA-N 432.576 4.568 30 10 IJEE Cc1nc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255641709 VICSNGQHMOIYBF-MRXNPFEDSA-N 442.434 4.828 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CCCCCNC(=O)OCc1ccccc1 2264196983 ZHXSQTBGHWRUNN-QFIPXVFZSA-N 443.385 4.875 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)c(C#N)cc2F)C(F)(F)C1 2264435318 XKUPTRLSQZWMHJ-AWEZNQCLSA-N 434.256 4.516 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267117227 RVFYUQVOOALAQZ-LEKVTHMOSA-N 438.421 4.513 30 10 IJEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 2267482826 IZORCBGCAVNAIW-LJQANCHMSA-N 436.405 4.638 30 10 IJEE CC1(C)OB([C@H]2C[C@H](C(=O)N[C@@H]3CN(Cc4ccccc4)C4(CCCC4)C3)C2)OC1(C)C 2267562641 FHBYKYFHHPAABT-FKBYEOEOSA-N 438.421 4.562 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3cccc(OCc4ccccc4)c3)cc2)OC1(C)C 2267590747 SGPBJXMSQWZZSV-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 2296216547 LQMKYZYMTCMWQP-AQNXPRMDSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@@H](O)C#Cc2cccc(Br)c2)C1 2296217623 WTIIGWXMFWBBHZ-LQBOVUBWSA-N 434.374 4.589 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296272054 JAFPZPGIZSNIOF-LEAZDLGRSA-N 433.390 4.567 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2305322759 ODBZBHPKLBJDAJ-DFIYOIEZSA-N 428.573 4.554 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2311768372 LOHXXUUQQVEZJN-ZGXDEKTJSA-N 446.632 4.572 30 10 IJEE CC[C@@](C)(CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2317240877 ACTITGUMMPGUGR-DEOSSOPVSA-N 443.828 4.747 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2317318294 OUAMIUZBMHXPRN-NOTUOJBMSA-N 439.644 4.574 30 10 IJEE CC(C)=C(CN1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2317855303 WJWGFRQRIGWZEV-FQEVSTJZSA-N 438.343 4.703 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(CCC1CC1)NC1CC1)Cc1ccccc1 2318399072 NVAUUQKBWHLQKO-NDEPHWFRSA-N 430.640 4.825 30 10 IJEE COc1ccc(CCc2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1 2322078855 SRDLMSPEMHEUIO-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE CCN1CCC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 2323865516 LYFYMZBIQDZVLI-UHFFFAOYSA-N 430.342 4.715 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323872526 FYNXDWHQOJGWCZ-NRFANRHFSA-N 432.605 4.869 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccn2)C3=O)cc1 2323937430 LCFUGYXSBQXJFJ-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE NC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1Br 2324658216 JACJJBKVWNUCJF-UHFFFAOYSA-N 429.097 4.516 30 10 IJEE CN(C)c1ccc(C=C2Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)cc1 2325200814 FFZNUIVAKPXAMH-UHFFFAOYSA-N 439.471 4.597 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OCC)c(OC)c1 2325554534 NBOBXRIKAGLVDA-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2325631204 FTXMVZAZEDJNBR-UHFFFAOYSA-N 432.472 4.950 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326446155 HRXBKCGJHPAYKH-UHFFFAOYSA-N 439.541 4.939 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(O)c(Cl)c1 2326821225 FOCMUCKAIUKMCM-UHFFFAOYSA-N 431.905 4.672 30 10 IJEE Cc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2328997824 KGJXTVJBYZLNOZ-JOCHJYFZSA-N 447.608 4.794 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)c1 2330707390 INGFMVLMBQYZKA-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2331030412 NFPAAFKNIMJAQK-UHFFFAOYSA-N 430.254 4.959 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)CC)c([N+](=O)[O-])c2)cc1 2331307103 GEMAWYWWFNMSNO-UHFFFAOYSA-N 427.453 4.994 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCC(=O)OCC(C)C)cc1 2331349135 UIGOEXMRIFGQHP-UHFFFAOYSA-N 446.617 4.973 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CC1 2331734047 ZCXFRCWPIKXSGU-UHFFFAOYSA-N 447.564 4.642 30 10 IJEE CCN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(Cc2ccccc2)C1 2339581024 HEKSXGRSSMISOZ-INJZMFEXSA-N 433.405 4.827 30 10 IJEE N/C(=N\OC(=O)c1ccc(Br)cc1)c1ccc(OCc2ccc(F)cc2)cc1 20457918 DBKRMYLQXNEAFJ-UHFFFAOYSA-N 443.272 4.645 30 10 IJEE O=S(=O)(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1 20479014 CYXDVZXQRLDDJE-RGVLZGJSSA-N 439.718 4.675 30 10 IJEE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 33339470 PFSCEENUJCNDHW-CPNJWEJPSA-N 448.529 4.835 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccccc2OC)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 33442073 KVSORDVLKMXYEE-ZROIWOOFSA-N 433.416 4.727 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N/c1ccncc1Cl 39864397 PKMMLMLUNLAKPB-FAXOLUSMSA-N 429.929 4.932 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc(C)c1Cl 40522814 QPMVOVPUDPRARS-HNNXBMFYSA-N 428.916 4.770 30 10 IJEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 41432672 AIXOVTXOYGCLGA-OYKKKHCWSA-N 443.499 4.799 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)n[nH]1)c1ccccc1 59020480 CFGIEUPQHCSSSP-YSMPRRRNSA-N 448.474 4.781 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(OC)cc2C)nnc1-c1cccc(Cl)c1 59794712 FAFUAVHZDOFBML-UHFFFAOYSA-N 428.945 4.832 30 10 IJEE CSc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(C)cc34)CC2)cc1 65034378 ZVPHATOFBSQVHG-UHFFFAOYSA-N 430.577 4.670 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1 100222092 GITJGXUBFKIALO-HSZRJFAPSA-N 444.616 4.790 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C31CC1 100562143 XSVHTARFIJBVCC-YNMZVOGESA-N 427.287 4.785 30 10 IJEE C=CCOc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102483099 NETXJSACVRRLNH-AGGMBTAESA-N 446.528 4.951 30 10 IJEE CCCC/N=C1/S/C(=C2/C(=O)Nc3ccc(Br)cc32)C(=O)N1CCCC 103693739 JHSCTNSXEANBFQ-MCRDVGPXSA-N 436.375 4.644 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)NC(=S)N1C 169935115 XJOAVDKUNORKJI-HSZRJFAPSA-N 442.540 4.924 30 10 IJEE CCN1CCC(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 169942651 LYFYMZBIQDZVLI-LDADJPATSA-N 430.342 4.715 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C(=O)O)cc3)[C@@H]2c2ccccc2)cc1C 170051160 WVUOGSUQKSYZRS-HSZRJFAPSA-N 441.483 4.780 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1 170059462 HBQPBHCHGWGRFP-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170117150 ZZAZIWGAWILRNO-CMJOXMDJSA-N 433.504 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)cc1OC 170139047 MKUTZWFHXOXFRE-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccn1 170181720 PTLNRJMIGVWVQK-QHCPKHFHSA-N 430.504 4.628 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170186448 MNZXBBZPQLJUTM-NRFANRHFSA-N 446.846 4.970 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)cc1 170200816 BZBXXIYHGLJZFI-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccncc2)c(C)c1 170205684 BERDCOUSVHLKEY-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c[nH]c2ccccc12 170254690 NQNAANLTGGQJGS-XMMPIXPASA-N 440.499 4.936 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(O)c1 170258078 YFFTWXJROFLKAU-JOCHJYFZSA-N 447.462 4.940 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2CCOC)cc1 170264783 PNLTUENYZFLJJP-HSZRJFAPSA-N 437.536 4.509 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccc(CC)cc1 170267891 NXWMGXUNBMOXFR-NRFANRHFSA-N 443.927 4.908 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC)c(O)c1 170322272 LTKXARATTGBBPF-GOSISDBHSA-N 436.291 4.696 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(N(C)C)cc2)c1 170446786 PUPVDWSNVISMKI-QHCPKHFHSA-N 446.503 4.523 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(=O)OC(C)C)cc2)c1 170460004 BOQRFWVQHHUJRY-JOCHJYFZSA-N 445.471 4.936 30 10 IJEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(C)c2)cc1 170460532 GQICRZGYDYUYAQ-QFIPXVFZSA-N 445.471 4.938 30 10 IJEE CC/N=C1\S/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C(=O)N1CC 210152615 GMHDKYGUKACBEW-LPCFMYKTSA-N 432.549 4.860 30 10 IJEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(F)cc2)S1 252589158 AHPUQHAFKQTLEB-NRFANRHFSA-N 433.508 4.986 30 10 IJEE COc1cccc(C=NNS(=O)(=O)c2ccccc2)c1OCc1cccc2ccccc12 254555024 QLXMIZBXDBVYLJ-UHFFFAOYSA-N 446.528 4.740 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)c1cn(-c2ccccc2)nn1 489613180 GKRBMBUXQIAZOV-GOSISDBHSA-N 432.553 4.786 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccncc3)c2)cc1 490057504 CZPWPYMCYCHSDE-RUZDIDTESA-N 448.482 4.590 30 10 IJEE COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s2)cc1 503065298 LIBAGKHBESGUFV-NPMXOYFQSA-N 443.569 4.566 30 10 IJEE Cc1nc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)sc1Cc1ccccc1Cl 504074994 JWQJTMDSBOTHGL-OAQYLSRUSA-N 433.961 4.896 30 10 IJEE O=C(c1ccc(OCC(F)(F)F)nc1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 512398983 RQNXSUHEFVLAEP-QGZVFWFLSA-N 436.327 4.752 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 549263714 LAVZIXBPAMQWNE-GOSISDBHSA-N 441.576 4.992 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(C(N)=O)c(OC(C)C)c2)cc1OC 556337895 NWCFJTNPIMZXIO-UHFFFAOYSA-N 449.345 4.521 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 581318055 HWVXLCVUOYRFSZ-UHFFFAOYSA-N 430.464 4.657 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 585852613 PLBSATIYTZKSJG-PAFQEJSVSA-N 447.362 4.525 30 10 IJEE C=CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C)c(C)c1 586210938 ANLGJJCOOPPCQF-UHFFFAOYSA-N 445.540 4.850 30 10 IJEE C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609072965 PLMIUPWTWZHQNV-INIZCTEOSA-N 433.895 4.548 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 609306075 PCVGTDGTMZBUQP-SFHVURJKSA-N 430.504 4.515 30 10 IJEE C=CCCCN(C)C(=O)c1ccc(NC(=O)c2ccccc2I)cc1 609908861 YHUNXWXSZPEKPG-UHFFFAOYSA-N 448.304 4.582 30 10 IJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c2c(c1)OCCO2 698464241 MZQJZEMCZKFUEG-DOMZBBRYSA-N 425.323 4.821 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1cc(Cl)ccc1Cl 744512624 SGEXCKQNOUFYSU-UHFFFAOYSA-N 437.226 4.820 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)OCc1cc(Cl)ccc1OCC#N)C2 748242975 ALOHEVCIKMOJQC-OALUTQOASA-N 448.947 4.854 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 790244904 OEKPSILSISCRET-NPMXOYFQSA-N 448.514 4.954 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N\[C@H](C)c1cccs1 790284690 FPYTWWSPEXGDIZ-INCMKVTQSA-N 443.594 4.810 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@H]1C[C@H]1c1ccccc1Cl 920371918 XPLZLEIXDXFLAI-MOPGFXCFSA-N 432.977 4.501 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 1125571349 JGSNAQQZTAXCEF-UHFFFAOYSA-N 440.506 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 1125578792 YCJOOYVCRGTVSR-UHFFFAOYSA-N 439.490 4.963 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)c1 1125714583 WHAAQPSSYZQONE-UHFFFAOYSA-N 437.521 4.589 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1 1125778905 YBSGCZCDZJSEES-QGZVFWFLSA-N 436.483 4.594 30 10 IJEE C=CC[C@]1(C(=O)NCCOc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1125906557 BBVZVTSRSVIYHO-OAQYLSRUSA-N 442.478 4.546 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1130380016 RORRLAURUCSFDK-IBGZPJMESA-N 446.853 4.970 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)Cc1ccncc1 1136569167 GZJVACIHQQBWCF-OAQYLSRUSA-N 443.975 4.689 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2 1140506193 YDNHCSXPBSQZHG-UHFFFAOYSA-N 438.572 4.933 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 1143689456 CFXZXVDOMYOWHK-FCHUYYIVSA-N 429.605 4.579 30 10 IJEE C=CC1(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CN(C(=O)OC(C)(C)C)C1 1147390146 GLVKILBOUINTAK-UHFFFAOYSA-N 437.565 4.716 30 10 IJEE Cc1cc(C(=O)N(C)c2ccc(NC(=O)OC(C)(C)C)cc2)nn1-c1cccc(C#N)c1 1149626263 FBZARFMORJFSQW-UHFFFAOYSA-N 431.496 4.676 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 1156734594 AKNULEJEJHBRGF-AREMUKBSSA-N 434.399 4.942 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N([C@H](C)COC)[C@@H]1CCc2ccccc21 1169954822 XKFUJDIKSMWGLY-BVYCBKJFSA-N 430.589 4.787 30 10 IJEE CC(C)(CO)[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccnc1 1215484417 IBEYPZFYVJIXJG-QFIPXVFZSA-N 434.471 4.766 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1)c1ccccc1 1224521684 IHCGNWKNLLMMEG-VXKWHMMOSA-N 425.960 4.951 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(COCCOCC)c2)CCCN1C(=O)OC(C)(C)C 1264653919 RQJCMJINTZRQBT-DEOSSOPVSA-N 432.561 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCCN1CCCCC1 1286275567 OERAIGQYIHEAMX-HSZRJFAPSA-N 433.644 4.862 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1286318806 WGEFCHAZPWGIKP-BJKOFHAPSA-N 449.643 4.903 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)CCC(C)C 1286422360 YWCHKWBWCZSZPA-MHZLTWQESA-N 434.628 4.893 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCSC1(C)C 1286451404 JERSCDMRILAEHX-RBUKOAKNSA-N 442.629 4.808 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2c(C)noc2C)CC1 1286643831 XJSWBGHORVWSMS-UHFFFAOYSA-N 437.544 4.552 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCN2CCC)CC1 1286650947 MXDFLVWSPFBLRN-BHDDXSALSA-N 429.653 4.618 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2(C)CC2)CC1 1286653960 BNQDFYPIOYWBCW-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C(C)C)N2CCCC2)CC1 1286665801 PGTMMYSLTAUPLS-DNVJHFABSA-N 443.680 4.720 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1286678175 RNLLTVLNNVBUOT-XZOQPEGZSA-N 437.632 4.833 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C 1286740608 QZVVQLWTLBEQFN-PZJWPPBQSA-N 444.645 4.761 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N(C)C1CCC2(CC1)OCCO2 1286797365 VUFUHRJQNCVYQH-IBGZPJMESA-N 440.588 4.527 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1286834943 OFEFDYUDUAXXGC-UNMCSNQZSA-N 426.630 4.978 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)n[nH]2)c1C 1290684027 SLBNBWYYXIPJCY-UHFFFAOYSA-N 443.473 4.900 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 1298710699 VQUXINRBJAVJFM-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1OC 1299398746 ZCXRGISTZJTVQF-UHFFFAOYSA-N 431.901 4.596 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1300010015 ZELPFXAVRICMQX-FQRUVTKNSA-N 444.575 4.812 30 10 IJEE N#Cc1nc(NC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)[nH]c1C#N 1300044543 IFIGQNAAPXLWRX-UHFFFAOYSA-N 425.473 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1occc1C 1300316663 BCOONLYYCOMHPB-SFHVURJKSA-N 426.948 4.659 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1300384771 VDTXTAWQGDQNLM-MHECFPHRSA-N 428.552 4.612 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 1300421833 SKHIEERYKWVPQW-QHCPKHFHSA-N 438.616 4.954 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCS[C@H](C)C1 1300769205 BUGLVCJDTHGQGS-LJQANCHMSA-N 444.670 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H]1CC 1300872291 AQDUCWGRFZJFKA-VIZSFHNOSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)C/C(C)=C/c1ccccc1 1300884932 NAOVTINNKLLZDG-IHSAWQCXSA-N 436.600 4.693 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300912387 ABAMZDBJDKUSOY-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCSC3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1301158599 JYOQTTXBMGGLBO-XMMPIXPASA-N 448.677 4.789 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301198307 GNWUBWFWDPCMBY-HDICACEKSA-N 434.531 4.950 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301198745 QDPUGGLHOJDCKU-PKOBYXMFSA-N 438.494 4.678 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301226027 QCMXJSUXBVXYGZ-LJQANCHMSA-N 439.604 4.919 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1sc(C)nc1C)C1CC1 1301330984 ALHJVGVIJWZJLC-UHFFFAOYSA-N 429.977 4.787 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1OC 1301349240 LQMFVEXINNDJRU-IRLDBZIGSA-N 437.613 4.642 30 10 IJEE C#CCN(C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656051 PZCNJESOMRBVCC-IAGOWNOFSA-N 430.511 4.607 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(Cl)c1 1311258911 QRQQRSJKHUWXMJ-HXUWFJFHSA-N 428.319 4.955 30 10 IJEE C=CCCCCCCCNC(=O)Nc1nccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1311335132 YEYNKUGMGZCAHX-SFHVURJKSA-N 431.581 4.849 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2nccc(-c3cccnc3)n2)CC1)c1ccc(Cl)cc1F 1312944406 VVCNOHDDYIFSQT-NRFANRHFSA-N 449.917 4.595 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Br)c3)n2CC(C)C)C1 1325278862 MLRPAJFAYGXAMY-LPHOPBHVSA-N 449.393 4.618 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(F)c(F)cc2I)c(OC)c1 1350141391 YTFHCNCEFPXCFQ-UHFFFAOYSA-N 430.188 4.526 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)CC1(Br)Br 1350407292 IHNVZMWITWGRLA-LBPRGKRZSA-N 427.589 4.812 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCO[C@@H](C)C1 1358895780 QOTKHOSRYNPVHX-SLFFLAALSA-N 445.007 4.525 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC[C@@H]1C 1359095000 IWJFFXFNZOGIMG-YRNRMSPPSA-N 449.020 4.530 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CC)C1 1359129650 IRPUAHNJDBOQEE-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CCc2cc(C(F)(F)F)ccn2)CC1 1359166329 OLLGSWLUTUSMBA-UHFFFAOYSA-N 441.501 4.990 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(COC)CC1 1359182786 TTWYCZNSZDUDPL-UHFFFAOYSA-N 439.604 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1359191284 UINBRGWOKXSHBV-NRFANRHFSA-N 449.603 4.509 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H]1CCCOC1 1359223479 MGIUJYWBFFKBBS-OALUTQOASA-N 444.645 4.587 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)c1nccs1 1359234405 OGAGIURRZIHRGF-CQSZACIVSA-N 432.391 4.898 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H](F)c1ccc(Br)cc1 1359269695 MCWXUYCRVMAGFF-SFHVURJKSA-N 442.336 4.992 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC[C@H]1C 1359275814 HIBAJGDSVVRXAO-NFBKMPQASA-N 436.625 4.838 30 10 IJEE C=CCC[C@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)c1ccc(C(F)(F)F)cc1 1435632964 BXCPAVHKDRJSGC-LUJNMSEFSA-N 427.444 4.539 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(I)c(F)c1)c1ccc(F)c(F)c1 1435949800 APODBMORLQXKOR-MRXNPFEDSA-N 431.195 4.756 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C(=O)OC)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1438323830 JVBCOQXSETZLIK-VWLOTQADSA-N 438.524 4.911 30 10 IJEE C=CC[C@H](OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)c(Cl)c1 1459448761 ALRMEXALMDWTLY-IBGZPJMESA-N 440.348 4.908 30 10 IJEE C=C(C)COc1cccc(NCc2nc(Br)c(Br)n2CC)c1 1461317612 ROWHTRSMCVZHHF-UHFFFAOYSA-N 429.156 4.995 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F)c1ccc(Cl)cc1 1465509255 KGEODYIOKJRQQX-OAHLLOKOSA-N 440.805 4.564 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 1466164615 ACUPABBBJYXJCJ-UHFFFAOYSA-N 439.256 4.734 30 10 IJEE COCC[C@H](NC(=O)Nc1cc(OC)c(C#N)cc1F)c1ccc(Cl)c(Cl)c1 1467075809 GVMAMCGXPMMCLA-INIZCTEOSA-N 426.275 4.912 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1cccc(SC)c1)c1cc(F)ccc1F)C1CCOCC1 1469112942 LYPHBGYCHYIYEU-FGZHOGPDSA-N 430.520 4.504 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 1469837447 RZWNXBMWCKEIFS-QZTJIDSGSA-N 440.943 4.629 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H](c2nnc(S)n2C(C)C)C1)c1ccc(F)c(F)c1 1469855571 DYDSHLMNJGOBRW-YJBOKZPZSA-N 435.544 4.632 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCCCC1(F)F)[C@@H]1CCOc2ccc(Br)cc21 1470325861 MJMJAYMYJHOFSM-RHSMWYFYSA-N 441.316 4.743 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3ccccc3c(=O)n2-c2ccc([C@@H](C)CC)cc2)C1=O 1472945866 OMIQFUNQJXCQJB-HTAPYJJXSA-N 433.577 4.778 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc(N3CCCCC3)nc2)Cc2cccs2)c1 1473257249 HDFMPVBZWRESMD-UHFFFAOYSA-N 430.577 4.760 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccco1)N(CC)CC 1507525226 FNBNLMDUGBRWBP-FXAWDEMLSA-N 425.964 4.733 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1507604550 KXDQHLIYSVTOHR-NHCUHLMSSA-N 449.624 4.898 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(OC)CCCCC1 1507618299 JHLICEZBXYYSCF-UHFFFAOYSA-N 437.371 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1scnc1C 1507812580 NOUXFQNJSKYZRA-QGZVFWFLSA-N 429.565 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1OCCC1(C)C 1507822913 AVQJGNWLBNHRSN-RBUKOAKNSA-N 447.624 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1507826147 HCWYYOKHIHUZED-HXUWFJFHSA-N 431.625 4.813 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1507913892 FLQJSJRJAVWBFC-JOCHJYFZSA-N 449.643 4.871 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1507932595 VAHVONLBASYQQR-UHFFFAOYSA-N 445.493 4.753 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[C@@H]1C 1508001462 SICQRNPTKBULHI-DOTOQJQBSA-N 426.362 4.884 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCC(=O)NC1CCCCC1 1508003914 FZCLYHNXCJGCNO-UHFFFAOYSA-N 435.616 4.967 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1508061701 HSJBENOBXMMXHH-UHFFFAOYSA-N 426.973 4.869 30 10 IJEE Cc1cc(C)n(-c2ccccc2Cn2c(N3CCC(CC#N)CC3)nnc2C(C)(C)C)n1 1511663157 BJAYRIMMXCNOFA-UHFFFAOYSA-N 431.588 4.557 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C 1512418378 FQQYONJJECNKMZ-IYBDPMFKSA-N 440.473 4.565 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)nnc1-c1ccco1 1514636339 ZGDYHRNZTCWDJU-HXUWFJFHSA-N 444.507 4.752 30 10 IJEE C=CCc1cc(CNC(=O)C(C)(C)c2ccccc2Br)cc(OC)c1OC 1519360886 LNFZEZHHZFXPHV-UHFFFAOYSA-N 432.358 4.789 30 10 IJEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)CC1=O 1520663184 GKEMBYYCSGJVSW-LBPRGKRZSA-N 431.945 4.571 30 10 IJEE C=C[C@H](CC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1ccccc1 1523011724 JBWGITWHVFDBBK-IEBWSBKVSA-N 438.593 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 1524514652 LKEISWDMKFZKJP-QRWLVFNGSA-N 433.335 4.957 30 10 IJEE C#CCOCCC(=O)Nc1sc(C)c(-c2ccc(Cl)cc2Cl)c1C(=O)OC 1524953646 XJMDCIPLAIAZHX-UHFFFAOYSA-N 426.321 4.795 30 10 IJEE C=CCN(C(=O)c1cncc(-c2cccc(C)c2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1529014633 LKAFHDVZCPNEOM-VWLOTQADSA-N 428.532 4.860 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 1529258489 GPDWKZLGDAEXFR-ZBFHGGJFSA-N 433.733 4.805 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(OC3CCC(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1530748264 UWDAFYPMMWTUMM-FGJIOPLASA-N 434.621 4.919 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CCCC1 1538899509 OAFCKGFHARTTDP-UHFFFAOYSA-N 438.593 4.694 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCc1csc(C(C)(C)C)n1 1539250301 LLPBNAXYAGXISB-UHFFFAOYSA-N 438.000 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(C)C)CC1 1539619730 HIRGKGVIQYPVOL-IRLDBZIGSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1539632291 QNNUZWZWJJYBNQ-SQJMNOBHSA-N 437.632 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C 1539643183 UZDLNJXUQZOOQQ-SJBKTWHCSA-N 426.580 4.765 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1539811080 ANWHHZHAZUKCEE-JMGYQRAPSA-N 435.018 4.618 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2ccn(C)n2)CC1 1539828057 DJPBXVGTLLYTCT-GOSISDBHSA-N 440.979 4.627 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1539902289 DEKOOHGVOJLMNX-UHFFFAOYSA-N 441.963 4.693 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCCOC1)c1ccccc1 1539940537 RQXVLUNQYIAQBZ-GMAHTHKFSA-N 431.584 4.871 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccoc1C 1539952481 DSJMKOFJZOKTJL-UHFFFAOYSA-N 432.366 4.940 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C1 1540089984 QFSIRHISEQOCDB-MRXNPFEDSA-N 440.519 4.729 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CCc1nccc(C(F)(F)F)n1 1540127267 PXMCQYNIKMZYIB-UHFFFAOYSA-N 430.478 4.646 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(SC)CC1 1540153725 JZGCGEXWDFCJNV-UHFFFAOYSA-N 449.418 4.790 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1540554350 ZNOKSRXDVCPHTD-UHFFFAOYSA-N 434.561 4.933 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 1546216072 DTIYZZLQCXFOCG-AREMUKBSSA-N 444.962 4.899 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1cccc(OC)c1 1559381414 RHZNRNOTSDTNFD-MIALQEHNSA-N 428.602 4.561 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 1560892394 MQIJUHSVQVSBTK-GOSISDBHSA-N 426.944 4.808 30 10 IJEE C[C@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1561477383 DICWICIGHAXFKO-LLVKDONJSA-N 436.377 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 1562423758 UIQCFHZDARVNKN-PBHICJAKSA-N 425.476 4.855 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1C1=NCCO1 1563265446 BZOBHTAUPGDJTD-UHFFFAOYSA-N 441.329 4.540 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(Cl)cc1F 1565002268 IUUAAXNJZIZSNM-SJLPKXTDSA-N 449.231 4.556 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)c(F)cc1C)c1ccc(Br)cc1 1583571210 UBRCFHKUCDETSL-MRXNPFEDSA-N 425.095 4.763 30 10 IJEE N#C[C@H]1CCC[C@H](OC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1584702524 CZPXXJXBJGUGSS-LIRRHRJNSA-N 427.298 4.941 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@H]1C[C@H](F)C1 1587663349 XHMLKHPTVKDLTE-QWFCFKBJSA-N 432.971 4.848 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)NCCCC)CC1 1587718743 NAZRCLDGJQKXKH-UHFFFAOYSA-N 447.583 4.628 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccc(F)c1 1588459253 PWGRRDHHXVTWNZ-NHCUHLMSSA-N 426.580 4.773 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1csc(C)c1 1588574383 GNOPNOUKXYESTP-FQEVSTJZSA-N 438.597 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(CC)(CC)C1 1589559644 TZEPDKPWCAJCAA-URXFXBBRSA-N 438.616 4.897 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C1CCCCC1 1589560200 YEBJLLYDOSBFLU-BWKNWUBXSA-N 438.616 4.822 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1589694160 AOPOURLYJJRIKU-RDPSFJRHSA-N 442.629 4.619 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1593654777 JJFNHKALFGIVSY-SFHVURJKSA-N 431.625 4.717 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1594071092 ZGFFJZOKAIHMNC-XXBNENTESA-N 442.604 4.958 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)CN2CCCC2)CC1 1594128826 XJGGDVMAZXPRHN-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1594660906 OMFZXCPCHMAFDZ-OEMFJLHTSA-N 437.632 4.975 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1594727357 OUHZIRMCXFSRNI-UHFFFAOYSA-N 440.567 4.832 30 10 IJEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCC(C)(C)C)CC1 1594752891 TVUXAHYMBVYZGV-UHFFFAOYSA-N 434.632 4.806 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCSC1(C)C 1595260921 NIOLKTNSHKFLCX-AZUAARDMSA-N 430.618 4.880 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@H]1COc2ccccc2O1 1595261210 OXXDTGSDLYLVCL-FQEVSTJZSA-N 436.556 4.535 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](C)c3ccc(I)cc3)cc2n1 1611188045 IYLXACSNXUCTNL-CYBMUJFWSA-N 431.277 4.569 30 10 IJEE C[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1612996973 HTEFPTJTCIRLLS-MAUKXSAKSA-N 441.988 4.841 30 10 IJEE N#Cc1ccc(C(F)(F)F)nc1S[C@H]1CCN(c2cccc(Br)c2)C1=O 1613720572 FPTYBHMAOMITCW-ZDUSSCGKSA-N 442.260 4.632 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CCc1cccs1 1613820275 DUBQULSTJQVEBD-UHFFFAOYSA-N 435.597 4.854 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 1617266585 VFWMRHFWPZFLNJ-UHFFFAOYSA-N 444.572 4.764 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(Br)cc1I 1618323033 ATXZBOHDBSXIGR-GFCCVEGCSA-N 434.115 4.625 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(C)c(F)c1F 1621740699 WBOWBKCLALIOOH-UHFFFAOYSA-N 434.277 4.552 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(C(=O)OCC)ccc2C)c1 1621744604 LNJLVMZJFLCLCU-UHFFFAOYSA-N 439.558 4.610 30 10 IJEE C#C[C@H](NS(=O)(=O)c1sc2ccccc2c1Cl)c1ccc(Br)cc1 1622180537 VRIFANFVAKNHRG-AWEZNQCLSA-N 440.771 4.970 30 10 IJEE COCCN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1622983293 AOCBNOHESDGGLX-UHFFFAOYSA-N 430.508 4.859 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)on1 1623510007 OVABKRXTXYNHEZ-QFIPXVFZSA-N 431.492 4.795 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 1623647357 CMTRIMMREHEBJI-LPHOPBHVSA-N 446.979 4.613 30 10 IJEE C=CCCC[C@@H](C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1623907846 AVTZUPPAQMZJJP-OAQYLSRUSA-N 443.632 4.797 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 1624131208 CRSDDKTVGGQHQF-UHFFFAOYSA-N 434.403 4.979 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Cl)ccc1I)c1ccc(F)cc1 1625054933 QCYNGCTVUVRJDH-AWEZNQCLSA-N 428.632 4.580 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 1625220704 OBFRFAISHDIFON-UZLBHIALSA-N 435.996 4.893 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F)c1ccc(F)c(F)c1 1626385251 YBYLTTJQYOGDMB-IBGZPJMESA-N 440.393 4.834 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1626845114 CNHMEKFUABALJD-NRFANRHFSA-N 435.524 4.702 30 10 IJEE C#C[C@H](NC(=O)N[C@]1(C(F)(F)F)CCc2ccccc21)c1ccc(Br)cc1 1627872410 NXJMPXGQJLWHGB-PKOBYXMFSA-N 437.259 4.827 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2C)C2CCC(C)CC2)c1 1631941122 GCUAKYIEVJKKBO-IWRZYZMASA-N 440.609 4.757 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1F 1638110065 VHVDAGCEUDPLFO-NHYWBVRUSA-N 449.748 4.801 30 10 IJEE C#CCN(C(=O)Cc1cc2c(ccc3ccccc32)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1638330687 ACFUXTLXQXSIME-UHFFFAOYSA-N 446.547 4.990 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 1641172824 GXVATONAFMSZTJ-AWEZNQCLSA-N 439.364 4.832 30 10 IJEE CCc1ccc([C@@H]2COCCN2Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)o1 1641827607 ALPWWPNDGBYKSQ-QHCPKHFHSA-N 432.520 4.875 30 10 IJEE C=CCn1c(Sc2ccnc(Cc3ccc(F)cc3)n2)nnc1-c1ccc(OC)cc1 1642012632 LJOMORBZRHQYQI-UHFFFAOYSA-N 433.512 4.811 30 10 IJEE C=CC1(CC(=O)N2CCC(Cc3c(F)cccc3F)CC2)CN(C(=O)OC(C)(C)C)C1 1642559033 WVMNNWOJODHKSD-UHFFFAOYSA-N 434.527 4.559 30 10 IJEE C=CC1(CC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1643873057 WIJBLUITEHAZSW-UHFFFAOYSA-N 440.462 4.504 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCCc1cc(-c2ccc(F)cc2)no1 1644491601 ADYNXNMQRVLZSI-HNNXBMFYSA-N 440.906 4.897 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 1645391562 RMCWFYLGNBWOKS-RTWAWAEBSA-N 430.589 4.832 30 10 IJEE C=CC[C@@]1(C(=O)N(C[C@@H]2CCCc3ccccc32)OC)CCCN1C(=O)OC(C)(C)C 1645896951 UWHRYRPTXCLLPA-CPJSRVTESA-N 428.573 4.842 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)c(OC)c1 1651660521 REDBHZINDLNEOX-UHFFFAOYSA-N 430.476 4.927 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2cc(-c3cc(C)ccc3C)nn2-c2ccccc2)C1 1654841560 YFGXCVOTPHCGGI-QFIPXVFZSA-N 426.564 4.830 30 10 IJEE N#Cc1cc(F)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1Br 1654954927 GAEUYSOVYHUNEL-LJQANCHMSA-N 438.728 4.599 30 10 IJEE C=CCn1c(SCc2cc(Br)cc(F)c2F)nc2sccc2c1=O 1656076506 LDDNMVNZSSKIDF-UHFFFAOYSA-N 429.311 4.977 30 10 IJEE CCCc1c(NCc2ccc(OCCN3CCCC3)cc2)cnn1-c1cccc(C#N)c1 1657190094 IDUZAANCRHGEPD-UHFFFAOYSA-N 429.568 4.783 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)c1ccc(F)c(F)c1 1662887127 YCFIPCJYNXQZKF-MRXNPFEDSA-N 438.240 4.601 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 1666389208 BLYKXMHJELOGFD-HXUWFJFHSA-N 427.476 4.689 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 1667083081 RIBGBJGNUAAUFG-IZZNHLLZSA-N 443.522 4.627 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(N2CCCOC2=O)cc1 1671735533 BCALUHQEUARRCE-CYBMUJFWSA-N 443.301 4.550 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCC(F)(F)C1 1690049739 FEQHCPBWMKDCSR-FQEVSTJZSA-N 428.502 4.687 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(COC)CCC1 1690061096 QYFLSVYMCYSFPE-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCc1ccc(SC)cc1 1690209346 UCLCRFBRRUCQHQ-HSZRJFAPSA-N 437.638 4.591 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)COC)CC1 1690417126 FVVFYDFRTUPPKQ-UHFFFAOYSA-N 430.618 4.654 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@H](SCC)C1 1690503054 NXGHBOGQENKEHO-SFHVURJKSA-N 436.025 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOC1CCCCCC1 1690588204 MFMRHFWSSXHSPS-UHFFFAOYSA-N 438.572 4.634 30 10 IJEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](c2cccnc2)C(C)C)c1 1693216284 HMZYQKXQYKLDEA-NZQKXSOJSA-N 432.572 4.596 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@@H]1C 1705512653 JYJJWHWSRIQCOX-HOTGVXAUSA-N 431.378 4.754 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705527326 UZZVCMUZJQWWIG-MOPGFXCFSA-N 445.405 4.761 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N(C)CCC(C)C 1705690723 FPHJSAQKZXLGMS-UHFFFAOYSA-N 439.423 4.970 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705706840 ZXTGMGDAJYTJBA-JLRUASKGSA-N 430.637 4.633 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C)=C(C)C1 1705708594 DYRCALVPHNRUCR-WMZHIEFXSA-N 426.536 4.524 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1705768008 KLDOXXQCZKRRHG-OAQYLSRUSA-N 440.588 4.671 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705779990 AVALWPPFGYISBT-IQGLISFBSA-N 435.572 4.800 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2csc(CC)n2)CC1 1705784594 BINNPFQTSASCPQ-UHFFFAOYSA-N 437.613 4.830 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1705808416 MEILGVOIBSECQN-UHFFFAOYSA-N 436.629 4.593 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](OC)c1ccccc1 1705870623 LMXCQHOPXBCGOV-LJQANCHMSA-N 442.361 4.602 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCSC(F)(F)F)C1 1705919891 MKIABFMTKJSDMO-HNNXBMFYSA-N 438.475 4.726 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nccs1 1706917734 BKUIUSHQPIOBHB-VFNWGFHPSA-N 442.976 4.706 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1707959018 DOPWRARLJOKLBN-BGYRXZFFSA-N 445.615 4.538 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC(C)(C)C1 1708234001 FOSZDACWBAMGNU-PZJWPPBQSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC[C@H]1CCCCO1 1722278676 QHTXAYVPRUTHPG-NLWGTHIKSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](OCC(C)C)C1 1722327669 MYEDZZVOXZKTRA-RXVVDRJESA-N 430.980 4.736 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCC(C)(C)C1 1722342941 ABVZLQDPZDBTBF-UHFFFAOYSA-N 444.627 4.544 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)C2(CCC2)C1 1722461285 NIPQQPUWSQMSEG-QGZVFWFLSA-N 430.568 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccco1)C(C)C 1722511213 XWDKCAQRRGPIAJ-AVRDEDQJSA-N 441.601 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@](C)(O)C1CCCCC1 1722511960 RXYVZTKCAMJOKL-RUZDIDTESA-N 442.604 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2F)CC1 1722587486 QFCCCNYSNKMMNA-UHFFFAOYSA-N 434.563 4.717 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1722612333 QVRPGBJPCAYFRZ-NRFANRHFSA-N 440.588 4.572 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCOC(C)(C)C 1727710318 AYYADQPCCXLXCX-LEWJYISDSA-N 439.604 4.806 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1727958920 AIDHKQOIOFNZBI-OAQYLSRUSA-N 433.556 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccsc1)N(C)C 1740542420 VEZVVKPFXGJCGV-AUUYWEPGSA-N 431.968 4.560 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](c1ccc(C)cc1)N(C)C 1740603387 QTPFEBNRPNQSRJ-QFIPXVFZSA-N 447.652 4.956 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1740648948 UHZWKAPDVQOFLN-QHCPKHFHSA-N 438.019 4.572 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740673689 CNASTKBAYOEXGF-URXFXBBRSA-N 433.600 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)COC 1740725186 ILZNCGPDKWEVAX-GAJHUEQPSA-N 430.980 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCC[C@@H]1C 1740727940 GIHAENIZXLVBQA-ITEAAPOESA-N 433.383 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(C#N)o1 1740728295 UPZQBCBVIQWERU-OAQYLSRUSA-N 426.307 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1sccc1Br 1740775465 BRBZRRWSWKFMDD-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C(C)C 1740787291 GJNXCTRPRKMKIY-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1740836267 SHSWYNLAFZNZTC-QFIPXVFZSA-N 435.572 4.560 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)N2CCCC2)CC1 1740839583 KVWGQTPDXSYZQQ-QHCPKHFHSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740852059 IAQCBTZOZUMHQQ-CEWLAPEOSA-N 440.636 4.526 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1740855127 LRFIHLROURDFES-AOHZBQACSA-N 444.627 4.543 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1)c1ccccc1 1740856398 SPFNJLSLNMUJHQ-FCHUYYIVSA-N 437.588 4.620 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)[C@H]1C 1740858631 WHLPWBKTBUHPQH-HUUCEWRRSA-N 438.439 4.733 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCSC[C@@H]1C)C(C)C 1740926002 FRZQUPHWHNDLIL-JTHBVZDNSA-N 439.673 4.894 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccsc2)C1 1740971938 AMANHVNZHLQOJY-UWJYYQICSA-N 442.560 4.643 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCCC2(F)F)C1 1740983560 KSMFHKLBNZVUSW-PZJWPPBQSA-N 446.542 4.772 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1C1CC1 1748643009 SNCWUBAXMJRVFB-WFXMLNOXSA-N 442.007 4.546 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CCC(OC)CC1 1748654942 OINJJSASWXKQDG-MWXLCCTBSA-N 448.567 4.780 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1748723908 CSJHSVFHTYCRFW-UHFFFAOYSA-N 445.489 4.701 30 10 IJEE C#CCSCCn1c(-c2cccnc2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1749031646 DLLCEZKDGLNEGA-UHFFFAOYSA-N 449.605 4.876 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1749063858 HAHVFWKOYKTECR-DENIHFKCSA-N 445.464 4.897 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCC 1749136709 QRPMGEWDHWLZMA-XXBNENTESA-N 426.605 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCCC1(C)C 1749154085 LGMPBSLXMFYPRM-RUZDIDTESA-N 435.572 4.944 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1749251575 GZKRLJKBUWMQAU-GBESFXJTSA-N 448.970 4.953 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(CC)C(C)C)CC1 1749293945 YVSYXAMBJQAKQA-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1749381619 FUBODMRLBCVCDE-HFZDXXHNSA-N 448.615 4.680 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1749398595 LOJRLVAYPXQISI-UHFFFAOYSA-N 439.579 4.784 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1Cc1ccnc(OCC(F)(F)F)c1)C1CC1 1749515281 VCMDZIZLOJEGHG-UHFFFAOYSA-N 447.436 4.623 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1751107497 DHZFSGREIQRISQ-QGZVFWFLSA-N 439.560 4.676 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@@H](C)C2)CC1 1752066641 FTUUXPRUIHAVKA-OFNKIYASSA-N 434.632 4.810 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C#N 1752565826 HQXYMXBMLICEOH-HHJKRLRDSA-N 441.620 4.548 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCSC1 1760167090 CCVCSBIBIGDEJN-CYBMUJFWSA-N 439.810 4.574 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(F)c1 1760213049 NYMGNLRPQMNVDV-UHFFFAOYSA-N 432.568 4.926 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc(C(C)(C)C)cs1 1760237608 OLLNLFRLPYRUMF-UHFFFAOYSA-N 437.613 4.736 30 10 IJEE C#CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)C[C@@H](C)C#N 1760276418 DNQVYJWSOPTIBT-INIZCTEOSA-N 439.585 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCO1 1760288462 CUBCPGWFNYZRIA-VAXXYWNWSA-N 442.991 4.859 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1760300574 HZNQRDHXYRPRPF-BXWFABGCSA-N 447.377 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nc(C(C)C)cs1 1760331206 FDJBXRGJUAEJNH-UHFFFAOYSA-N 439.585 4.747 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2nccs2)CC1 1760385011 JOAFPIGEAQUQIA-UHFFFAOYSA-N 448.365 4.702 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC2(C)C)CC1 1760387746 VBSWCVAWVFCKSV-MOPGFXCFSA-N 429.609 4.595 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H](C)C1 1760501889 GTTDGNYQGOGRDW-PMACEKPBSA-N 426.605 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccnc(OC3CCCCC3)c2)C1 1760535674 VIMQQNLDKFGIJG-UGKGYDQZSA-N 439.604 4.728 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1760569742 ZBVWYQOXGOWWAH-NSHGMRRFSA-N 430.593 4.930 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCS1 1761357545 FBWQBZYCBVWPMK-CHWSQXEVSA-N 440.436 4.793 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC1CCC(F)(F)CC1 1764533957 CGWGVNPTJYXDSJ-UHFFFAOYSA-N 443.542 4.985 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)CC[C@@H]2C)cn1 1766287512 DBIAOODZAQIIST-MOPGFXCFSA-N 430.556 4.674 30 10 IJEE CCCCCCCCn1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c(=O)cc1C(=O)O 1857890172 LEUIOFONJJUBAP-MRXNPFEDSA-N 448.947 4.966 30 10 IJEE Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)n3ccccc23)cc1Cl 1858242100 PRYMZBKNJSUSTB-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12 1858242316 VZBUXONRPKCQNY-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE N#Cc1ccccc1NC(=O)c1nc(C(=O)Nc2ccccc2C(F)(F)F)n2ccccc12 1858242846 IRHVCDZXHKQZIT-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)Cc4ccc(F)cc4)cc3)CC2)c1 1860684386 NTYRHZJHFISXOC-UHFFFAOYSA-N 440.474 4.775 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1862120670 RRUUZKZALLNHOB-AREMUKBSSA-N 438.571 4.747 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C(=O)O)ccc1F 1862504447 UUATYEOETUYFPE-OAQYLSRUSA-N 437.467 4.743 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862539858 ZTYMEJYKDUZXQB-IBGZPJMESA-N 434.319 4.781 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862590314 GFIYXGDUOBMCJS-DEOSSOPVSA-N 443.499 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1 1862687263 IUQYKELZGOWUEW-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 1862714552 CWIISPWNEXDWLM-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(O)c1 1862717869 NMLZUBQRIBDOCE-IQMFZBJNSA-N 431.488 4.931 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1863145592 CBFYCOZBWLMFCM-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)c1 1863501736 UXILDUZNVGTKNQ-UHFFFAOYSA-N 432.483 4.740 30 10 IJEE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C/C(=O)c1cccc(OC)c1 1866232858 BTEHUGDTEBNKGQ-OUKQBFOZSA-N 435.501 4.978 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 1866946451 PEKQHBBEPXPPJW-FOIQADDNSA-N 442.357 4.738 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(Cc3ccccc3)n2)c1 1868200884 ICHFYGZLRBMUHM-XMMPIXPASA-N 448.530 4.656 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)CCC(=O)c2cccs2)cc1 1870147316 JCVJJVSCCVAJNE-UHFFFAOYSA-N 441.516 4.778 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CCc2ccc(OC)cc2)cc1 1870147577 XBSVKDCHINVPGD-UHFFFAOYSA-N 447.539 4.678 30 10 IJEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870815938 JNRJBIJAYREMQE-UHFFFAOYSA-N 425.356 4.885 30 10 IJEE C=CCn1nc(C)c(I)c1C(=O)Nc1cc(Cl)ccc1Cl 1871324124 MODQLFRJAUUCNZ-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 1871348902 PIWFRFUKTNDLPX-UQQQWYQISA-N 449.595 4.643 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871447831 CPAXKNGTKOHFJN-CRRPLPBISA-N 448.500 4.729 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872029371 GIRCIHPGRBTWIA-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872072856 WLHQKDYWUQZDNN-OAQYLSRUSA-N 444.553 4.752 30 10 IJEE COc1ccc(/C=N/n2c(COc3ccc(OC)cc3C(C)(C)C)nnc2SC)cc1 1874193879 MSUWEYWUBDXPQZ-ZVHZXABRSA-N 440.569 4.776 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3cccc(C)c3C)nnc2SC)cc1OCC 1874322376 NZMDOINYDPPNSX-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc[nH]2)o1 1874396025 BMPPEBDEGMOPRI-MMDHUZEPSA-N 449.536 4.702 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccncc2)cc1 1874452838 PPJNGKSYBUUOCE-MFKUBSTISA-N 434.569 4.506 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c(O)c1 1874468306 CABZRXLOOYVHCN-SSDVNMTOSA-N 426.885 4.777 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1c(Cl)cccc1Cl 1874468874 BTQAFXOGQOGGIM-UFFVCSGVSA-N 439.324 4.772 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1 1874489241 HNLSVILIUXJFIC-ZMOGYAJESA-N 426.517 4.577 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccs2)c1 1874494356 XTLIFQJPIGCQPW-WSDLNYQXSA-N 425.583 4.837 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)ccc1O 1874495492 NZOAZWDAWLVIRA-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE CCCCCCCCCOc1ccc(/C=N/n2c(S)nnc2CCOC)cc1OC 1874559829 QYQPWGGCEDULDY-HAVVHWLPSA-N 434.606 4.776 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])o1 1874611400 HQYNYAVEQJDGKJ-FARCUNLSSA-N 443.358 4.728 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1Br 1875170911 VXMYBHLAVQEHML-FNORWQNLSA-N 447.325 4.913 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)CCCSc3ccc(Cl)cc3)CC2)c1 1891216164 NTAGFIDZJJFXGW-UHFFFAOYSA-N 429.973 4.797 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@H](O)c1ccc(-c2ccc(Br)cc2)o1 1922065428 MJRMZCJYPYGLMU-FCHUYYIVSA-N 428.326 4.843 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1c(Br)cccc1Br 1937829560 YEAHAJDIHSDVLX-HUUCEWRRSA-N 448.199 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)CC1 1991565043 QEKOSJMDJCLKRK-HXUWFJFHSA-N 429.508 4.562 30 10 IJEE CCN(CCCOCc1ccccc1)Cc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2035660013 JIKNFJCQJMZVNB-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccccc3)c(C#N)c2Br)CC1 2080353679 YHTMEMBEAFIDKU-UHFFFAOYSA-N 431.334 4.756 30 10 IJEE C=CCN(CC[C@@H](Cc1cc(F)ccc1Br)NCC)C(=O)OC(C)(C)C 2099289265 XUUKFLZFLOKVFB-KRWDZBQOSA-N 429.374 4.922 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124522716 WQOHZNVIXGXBEY-HNNXBMFYSA-N 448.344 4.871 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3ccc(Br)c(Cl)c3)C2)OC1(C)C 2132690009 SKCHKWZVBZHDEH-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCCC 2145541783 PZYSQPQPSKUGMR-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 2159128611 UIOKDAIWVUHVDN-VQTJNVASSA-N 437.422 4.975 30 10 IJEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1cc(Br)cc(F)c1C#N 2174813301 UMRHKGLKESRLEX-LRDDRELGSA-N 440.357 4.978 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180880805 PHJIDVYPUPTJNE-XJKCOSOUSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181142752 ZUPWWCFLHYYWCC-QGZVFWFLSA-N 436.350 4.829 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2235725246 IUERZMKYJKOFMC-AZUAARDMSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@H](C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2235728423 HGBZIZQEGZNQDX-SMOSDQRPSA-N 435.406 4.670 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 2235745849 GLYBKFFJURHDQC-CMKODMSKSA-N 433.390 4.638 30 10 IJEE CN[C@H](CC#CC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417420 QZBCKJJIMPDQOX-RTBURBONSA-N 437.422 4.913 30 10 IJEE CCc1ccc(C#C[C@H](N)c2cc(Br)ccc2I)cc1 2239642062 ANSVHFXRHGYVLD-KRWDZBQOSA-N 440.122 4.668 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#Cc1ccccc1Cl 2245950435 JDLGQGBRNCNRSX-HSQYWUDLSA-N 428.960 4.517 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2247778895 JVXJTLQOIMPSEP-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(C)C)c1C 2247915757 JCNIBLCEVBZPIK-UHFFFAOYSA-N 427.419 4.963 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCC(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2262200211 PDVOBYXOKFEZGR-BKSPAHHJSA-N 447.572 4.703 30 10 IJEE COc1ccc(Nc2ccc(C#N)c(Br)c2)cc1I 2265737403 WCFNUZZJQNENPJ-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)ccc21 2267565948 UQHXGLFTVOXTPE-QAQDUYKDSA-N 442.365 4.795 30 10 IJEE O=C1C(Nc2ccc(Cl)cc2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc21 2296463526 JQOOHIPKVLHURH-UHFFFAOYSA-N 428.922 4.772 30 10 IJEE O=C1C(=Cc2ccccc2Cl)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 2296601883 MZJZIKXIHBHQKQ-UHFFFAOYSA-N 430.840 4.863 30 10 IJEE CCCCC#CC[S@](=N)(=O)c1cc(I)ccc1Br 2316462883 MTIIEMODBYJVKT-SFHVURJKSA-N 440.144 4.653 30 10 IJEE CCn1cc(C=C2Oc3cc(OCC(=O)OC(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 2321862578 DAFUHLCNGCFAHI-UHFFFAOYSA-N 449.503 4.925 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1C 2322415629 RYNPLLRWTBBODU-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(F)c(F)c1 2322775664 LNWFJZMDFKJUKG-UHFFFAOYSA-N 439.252 4.955 30 10 IJEE O=C(COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1)NCc1ccco1 2323085986 CNTMDLDKLWOMSL-UHFFFAOYSA-N 440.293 4.633 30 10 IJEE CCCCCOc1ccc(C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1OC 2323229923 OFCQFFSQIYKWGO-UHFFFAOYSA-N 440.931 4.910 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CCc2ccccc2)ccc1OCc1ccccc1 2323503723 ABKQQKDJGDBPLK-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1OC(=Cc1cccs1)C2=O 2325511777 VDYCFTVGCYRVQT-UHFFFAOYSA-N 427.428 4.968 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)Nc1ccc(Cl)cc1 2325513449 KFONZVSLXUVKRT-UHFFFAOYSA-N 449.846 4.702 30 10 IJEE CCOc1ccc(CCNC(=O)C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1OCC 2325713333 OQBRNHALGOPGAJ-UHFFFAOYSA-N 436.335 4.732 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 2325722228 FLRBJEQHDIOKFW-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325725298 CLAJGCCYUKRBMT-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)c(OC)c1 2325761943 YNNHIBIODOFFLN-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccc2ccccc12 2325915168 DJXWOXFKJAKLDE-NRFANRHFSA-N 441.560 4.552 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2N=Cc2cccc(Cl)c2Cl)o1 2326862831 HOSFZTXUUSXTKE-UHFFFAOYSA-N 439.324 4.918 30 10 IJEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC1(F)F 2327274298 JIATWAROKGQKGJ-DQEYMECFSA-N 440.582 4.536 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2327757870 APOLJCRIHAHTEZ-DYCBMTEISA-N 442.600 4.992 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccco1 2327785565 OQNWWMRQFBAXPY-UHFFFAOYSA-N 448.548 4.789 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2328075354 PTCJSYHSUABSKO-UHFFFAOYSA-N 427.917 4.785 30 10 IJEE C(=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1)c1ccncc1 2329348925 PNQYIMLQNLJDOV-UHFFFAOYSA-N 429.549 4.607 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCCCO)nnc1-c1ccccc1Cl 2329607757 DKDJEPSSGVMGGL-UHFFFAOYSA-N 428.945 4.520 30 10 IJEE CCOc1cccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)c1 2330961047 AYISPBJMFUCTMB-FQEVSTJZSA-N 426.517 4.842 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(F)cc1 2331373134 DAOCLXIENBFVMY-UHFFFAOYSA-N 439.560 4.890 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331416312 CZBURIIAKCLXCV-UHFFFAOYSA-N 429.373 4.810 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc(Cl)c1 2331636471 DIVZYXCJZSXTSU-UHFFFAOYSA-N 431.924 4.636 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OC(C)=O 2331702145 SEYRNRHEFVOCMI-UHFFFAOYSA-N 430.884 4.916 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1cccc(Cl)c1 2331726256 SWJIQXGWGUFNSU-UHFFFAOYSA-N 439.972 4.984 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]2(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339589384 WSXROTUSSKMWQR-HOYKHHGWSA-N 442.365 4.505 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339599657 HDWUNHLQCHNZFA-IBGZPJMESA-N 444.381 4.895 30 10 IJEE Cc1cccc(NC(=O)N(Cc2ccccc2)CC(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2352767096 COENCBJTYOHSIS-UHFFFAOYSA-N 448.294 4.891 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H](O)C#Cc2ccc(Br)cc2)C1(C)C 2370080717 HGAMEJFLLIIZRK-YTQUADARSA-N 436.390 4.881 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(N/N=C/c3ccc(C)cc3)n2)c1 33960172 NGGLWASARRKSKG-HYARGMPZSA-N 428.583 4.595 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(=O)CC(C)C 36052173 BVFSYGOWDZDFMY-UHFFFAOYSA-N 448.542 4.986 30 10 IJEE Cc1cc(Cl)ccc1OCC(=O)c1c(C)c(C#N)c(=O)n([C@@H](C)c2ccccc2)c1O 38623217 DGBVKZZFUGAVPQ-INIZCTEOSA-N 436.895 4.567 30 10 IJEE CCOc1cccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)c1 54644199 ZVMDZXRDMLBBPJ-QFIPXVFZSA-N 432.549 4.991 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)nnc1-c1cccc(C)c1 97493725 LCDSXZSHQCDHLW-QFIPXVFZSA-N 448.592 4.904 30 10 IJEE CC[C@@H](C)[C@@H]1C(=O)/C(=C(/O)[C@@H]2[C@@H]([C@]3(C)O[C@H]3C)C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@@H]23)C(=O)N1C 102216248 NPWKEUKXVOMELT-KYKPPAOWSA-N 429.601 4.532 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccc(Cl)cc1 102539895 DNFNOPFKYSIWDO-GOBJLOIFSA-N 434.835 4.875 30 10 IJEE CCCSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@H]2c2ccccc2)s1 102588440 VTHDQQFUDHAIOZ-VZHUHSAUSA-N 443.575 4.728 30 10 IJEE Cc1c(Cl)cccc1/N=C1/SCCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 105468956 CZJMEODUBBVHSE-XTQSDGFTSA-N 448.013 4.825 30 10 IJEE C=CCc1cc(OCC)cc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1O 108039455 FBMQYHMPTVSJLS-UHFFFAOYSA-N 435.490 4.646 30 10 IJEE CCc1n[nH]c(=S)n1/N=C\c1ccc(OCc2ccc(Br)cc2)c(OC)c1 139459181 RPPBICXHUDVPRG-NHDPSOOVSA-N 447.358 4.735 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 169944456 BHGRHVLYFNCWFR-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2)cc1 170052512 VLDCDCRBHWQVEL-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2F)cc1 170071236 ZAWSYAHKGYDGEW-HSZRJFAPSA-N 437.430 4.962 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCC[C@@H](CO)C2)C1=O 170076988 UPAZXLSHKQUVPU-JOCHJYFZSA-N 440.628 4.920 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)c1 170133349 XSABFUOSRFSLIQ-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)c1 170141589 WIMFPQOQSRKQKG-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCC2)c1 170145255 MWHZCWKQCKKBIN-QHCPKHFHSA-N 433.504 4.677 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccccn1 170172239 IPTGZFACSSKBCV-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccccn1 170180605 XOGMYLFXDGUIAM-LJQANCHMSA-N 440.883 4.868 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccnc2)cc1C 170190211 ROYYGZLJXVXESE-QHCPKHFHSA-N 444.487 4.504 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccnc2)c1 170197344 APHKBKPMZLQDGF-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170292765 MCIRSQMREBNUGP-FQEVSTJZSA-N 434.835 4.853 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)cc1OC 170305460 UJVOJGHTYCQVPD-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CCCC2)o1 170310871 KIDAQFYZDLEKNT-GOSISDBHSA-N 430.298 4.871 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1O 170408843 ZJDQJOPDTQCESL-IBGZPJMESA-N 443.427 4.523 30 10 IJEE CN(C)c1ccc(C=NN2C(=N)N(c3ccccc3)C(=S)C2=Nc2ccccc2)cc1 252629388 UEVBPCKRRODYTM-UHFFFAOYSA-N 426.549 4.901 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC1(N(C)Cc2ccccc2)CCC1 387338533 DXVMFZBSGMVTAM-UHFFFAOYSA-N 427.386 4.605 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)Cc3ccc4ccccc4n3)nnc12 481759406 GLEKUSSEDVKYSQ-MRXNPFEDSA-N 427.533 4.502 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 485509672 ZJKZGGWDCSNDFD-IBGZPJMESA-N 446.576 4.960 30 10 IJEE N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2nccn2Cc2ccccc2)cc1 494703724 QQTDOOXPBHETPJ-UHFFFAOYSA-N 427.529 4.585 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)c(Br)cc1F 511136348 AYNWZKHUFVAIHW-UHFFFAOYSA-N 426.217 4.856 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])s2)cc1 526487512 ZYASWXULXHZCEO-FQEVSTJZSA-N 433.445 4.594 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(C)c2)c1 526519250 APSKDHWEHSHEMD-XMMPIXPASA-N 426.472 4.941 30 10 IJEE N#Cc1ccccc1NC1=C(SCc2ccco2)C(=O)N(c2ccc(F)cc2F)C1=O 526669223 PGIKXVIFCCUMFT-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2O)cc1 526823051 QKCYFGPCZNBBHL-QQXSKIMKSA-N 425.517 4.621 30 10 IJEE C=CCn1c([C@H]2COCCO2)nnc1N(Cc1ccccc1C(F)(F)F)C1CCCC1 562904995 GYVQXRVVOJZHEW-LJQANCHMSA-N 436.478 4.520 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccc(OC)cc3)C2)c1 585997317 ZTOWDVNCUPUABW-QFIPXVFZSA-N 435.568 4.567 30 10 IJEE CCOCCCNC(=O)Nc1cccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 586639827 PRZFVIDVWKKXTH-UHFFFAOYSA-N 428.558 4.718 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 670202303 MTVVVDVLGZKCTR-KJBBBAAKSA-N 436.600 4.742 30 10 IJEE N#Cc1cc(Nc2ncc(Br)cc2Br)ccc1Br 690192622 KPZSZGQMNJLQOI-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 709482329 PTZBVFNWGKOGEK-CKJXQJPGSA-N 434.541 4.606 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2oc3ccccc3c2C)C1=O 734299745 IRNQORFTFRRTGA-IBGZPJMESA-N 441.940 4.662 30 10 IJEE COc1ccc(CNC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1C#N 747402642 KABNQEGOFCYIDB-IBGZPJMESA-N 436.512 4.706 30 10 IJEE COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1F 755584412 WBMFRJSCESAYOM-HMVFGEFZSA-N 437.496 4.703 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 764909187 IQCJCVPAKVEVEO-UHFFFAOYSA-N 447.608 4.913 30 10 IJEE C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 790701841 OJTUYEUNJHVXBK-RBBKRZOGSA-N 444.560 4.629 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 806291904 ZFPJRFYMJPGFDE-NRFANRHFSA-N 448.544 4.639 30 10 IJEE C[C@@H](OC(=O)CCc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 912870170 HJSSRCDSYOWKPW-LLVKDONJSA-N 437.348 4.918 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC)c1ccccc1 1124455856 VQTHIRQUTGZVKQ-LJQANCHMSA-N 442.581 4.558 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 1124608303 XATCOALXUXNDLU-ZDUSSCGKSA-N 438.398 4.602 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)Nc3ccnc(OCC(F)(F)F)c3)c2)c1 1127620361 HARGHYAWQSCIDN-UHFFFAOYSA-N 427.382 4.726 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccnc1SCc1cccc(Br)c1 1128537782 CXCYEYDTNWEMRV-VQIMIIECSA-N 447.398 4.847 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 1129126826 KYOAFGJNGMPSLC-UHFFFAOYSA-N 447.379 4.505 30 10 IJEE C#C[C@H](CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1129609913 BMAIJQIMWRFHLI-QGZVFWFLSA-N 445.375 4.861 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)C1 1131664397 VSOOTTGRYXIQHK-GOSISDBHSA-N 448.950 4.715 30 10 IJEE CC(=O)N/C(=C\c1cccs1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1136332165 ZVAXWPYIFLVOPJ-HAHDFKILSA-N 431.517 4.509 30 10 IJEE C#CCN(C(=O)c1ccc(NC)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1136804975 PYHMSUMRHUKMQC-SFHVURJKSA-N 433.733 4.743 30 10 IJEE C=CC[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1136904736 YWLPZGBOYLVAOR-DHIUTWEWSA-N 437.584 4.795 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1 1158669397 FJDFTEZNKUXBDH-UKPGIYTDSA-N 440.565 4.588 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Br)c(C)c1 1161167446 VXTSZTPDXCYXDC-KRWDZBQOSA-N 425.367 4.623 30 10 IJEE C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 1162146785 FISUQNSDRLLPQT-PGRDOPGGSA-N 434.536 4.577 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 1180195229 SMFNRBRCRHMOFZ-QGZVFWFLSA-N 429.923 4.525 30 10 IJEE Cc1c(S(=O)(=O)N(Cc2ccccc2)CC2(O)CCCC2)sc2ccc(C#N)cc12 1188808471 BPZSUVPFRFDNCK-UHFFFAOYSA-N 440.590 4.577 30 10 IJEE N#CCOc1cccc(CNC(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)c1 1221919678 BAPNUVIVHWLUTQ-FQEVSTJZSA-N 442.357 4.658 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1230276411 CZMDCFBVYDJUDR-XMSQKQJNSA-N 445.560 4.561 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(Br)cc1 1252459749 WRCKWAMBQDWWME-ABAIWWIYSA-N 426.236 4.598 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)cc1 1265472955 GTPOFFAGKFCJGZ-UHFFFAOYSA-N 449.528 4.927 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1)C(C)(C)C 1275497457 CYUPYRAVRNGGTK-SONWIMMPSA-N 432.564 4.652 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1ccnc(SCC)c1 1286290097 OEGQUQRMXGMRRS-QGZVFWFLSA-N 428.565 4.507 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1N1CCCCC1 1286306790 YBMGHTDQQYAXML-KIFXHHALSA-N 449.643 4.693 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CCOC)CCC1 1286361847 UFJIDTIIPNVYDN-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cscc1C 1286366114 UHYAQSTVQFPVLD-UHFFFAOYSA-N 435.778 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(OCc2ccccc2)CC1 1286550095 ZCPBJPDJTIEXDC-FJIJXJHWSA-N 438.616 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccn(CC)c1=O 1286569798 ZVDKVNAGNZJTEF-UHFFFAOYSA-N 446.382 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1286578337 CWXYJKSPVGQIAS-JPYJTQIMSA-N 430.666 4.547 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@](C)(O)CC)CC1 1286656836 PXUBELSBEWVBEX-XMMPIXPASA-N 437.613 4.940 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Oc2ccccc2F)CC1 1286662473 MFYFVGFVLQXEMY-QGZVFWFLSA-N 426.561 4.939 30 10 IJEE C=CCN(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1286730271 QICPCMNOXPBSNI-UHFFFAOYSA-N 444.627 4.755 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCCC1 1286743524 JPSYFXZROPKADN-UHFFFAOYSA-N 436.991 4.672 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(COCC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286765610 GVUGMTRZZOSTRB-IAGOWNOFSA-N 426.483 4.936 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](c2ccc(OC)cc2)C2CCC2)CCCN1C(=O)OC(C)(C)C 1289476213 BFPZGCMWKXPBSA-SQJMNOBHSA-N 428.573 4.998 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(=Cc2cccc(OC)c2)CC1 1294543974 KXIYBJKXVQMXBP-QFIPXVFZSA-N 428.573 4.951 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCCC1(C)C 1300284649 UPONCBYVXKSHAK-UAVUOLJFSA-N 426.630 4.531 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](OC)C1CC1 1300565916 YSGLCANEDGXVKV-OAQYLSRUSA-N 448.567 4.701 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC(C)(C)N1CCCCC1 1300641160 COUXRFIDYHMREM-UHFFFAOYSA-N 425.596 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)CCOC 1300786759 HRXMUFUCQCCHJJ-HOYKHHGWSA-N 428.552 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCSC1 1300906323 NNFORICWGYIFLO-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCc2cccs2)CC1 1301177085 RFLYMHZZYDAFKD-UHFFFAOYSA-N 446.624 4.599 30 10 IJEE CCOC(=O)c1ccc(-c2ccc(CN3CCCN(c4ccccc4C#N)CC3)o2)cc1 1308614908 HOCVCOSJWMTWSG-UHFFFAOYSA-N 429.520 4.707 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(Br)cc1 1312937610 REAUGFVRMIDXSI-WMZOPIPTSA-N 438.325 4.854 30 10 IJEE COc1ccc(O[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1315518625 FCLHMGFAIPBUSD-CLOONOSVSA-N 437.588 4.617 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccsc1 1316098393 CFCYBPXJCZBVMZ-UHFFFAOYSA-N 436.368 4.728 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCC[C@@H](OC)C1)c1ccc2c(c1)OCCO2 1350583117 MEVVPNDOHXLWHJ-DENIHFKCSA-N 437.536 4.761 30 10 IJEE C/C(=C\C1CCC(C)CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1350882603 ACCWNVFYCOLFTN-XYCYNGSVSA-N 445.629 4.991 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Cl)cc1Br 1351585053 ALTWELNFOJMCLJ-UHFFFAOYSA-N 439.689 4.845 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(c2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)C1 1351779417 GVQSDMMOSOCYIY-JIBACQESSA-N 445.563 4.698 30 10 IJEE C=C(C)[C@@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)OCC 1353536004 ZHEOTAXINBQHDB-LEWJYISDSA-N 433.017 4.988 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3cccc(C)c3o2)c(C(=O)OCC)c1C 1355010660 XKYPHFCVBZJHLT-UHFFFAOYSA-N 427.478 4.883 30 10 IJEE C=CCCn1cc(C(=O)Nc2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)nn1 1358114307 XGUZBKQYEKZSIC-UHFFFAOYSA-N 440.429 4.523 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)c1ccccc1 1358878192 SHRNKYOAQTWPMN-RBUKOAKNSA-N 433.625 4.726 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C(C)C 1358888429 MTJWXCYZXZPPCF-SFHVURJKSA-N 431.625 4.533 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cscc1C 1358985697 FKSJJNVJULJQHY-SFHVURJKSA-N 438.984 4.953 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)c1ncc(C)s1 1359000610 AIDKPOOGDVDTFJ-WBVHZDCISA-N 427.549 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(OCCC(C)C)CC1 1359095166 LBXWUBKLPPTSBF-LADGPHEKSA-N 438.616 4.958 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1359095318 NFIUMFGHRBAFHW-GCJKJVERSA-N 442.579 4.849 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1359188515 PCFGFJUUKSEGGO-XLIONFOSSA-N 430.980 4.616 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359200958 XSAFQLXDKHNGCX-AZUAARDMSA-N 425.577 4.651 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCN(C(C)C)C1 1359234168 GHIDYMZPAFUUQL-RTBURBONSA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCSC1(C)C 1359259396 VDKNYPXSRBQFQD-NRFANRHFSA-N 433.625 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCO1 1359263875 OIEAITVXKQUTMC-FQEVSTJZSA-N 426.561 4.831 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC=C(C(C)(C)C)CC1 1359339750 PZNYOTZLSPYRKV-UHFFFAOYSA-N 440.613 4.818 30 10 IJEE CC(C)(C)OC(=O)COc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c1 1361005159 BAYSKNGTWCSAFL-UHFFFAOYSA-N 445.475 4.718 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CCCN1C(=O)OC(C)(C)C 1436165888 POJRMEYLQQXDHR-OAQYLSRUSA-N 435.496 4.965 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1444797690 DXXRBFLNJMNYTH-GJZGRUSLSA-N 428.982 4.551 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1F 1449322791 YISNRZCCUXMHKD-RDTXWAMCSA-N 439.701 4.630 30 10 IJEE C=CCONC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1449685726 DUGRWLDFJCQURP-VWLOTQADSA-N 442.515 4.809 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@](C)(F)C2)nnc1-c1ccc(Cl)cc1Cl 1450116239 KHUVZKPKRNDQAQ-LJQANCHMSA-N 443.375 4.881 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 1456314739 NFESTYVUKYHJBG-QPPBQGQZSA-N 430.529 4.801 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)[C@@](N)(c3cccc(F)c3)C(F)(F)F)cc2)c1 1457622236 GDBSQQYGHCVHKF-NRFANRHFSA-N 429.373 4.845 30 10 IJEE CO[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1Br 1458164989 BZQFPJKGLXTKNS-QGZVFWFLSA-N 428.311 4.770 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)c1ccc(Br)cc1 1460784428 JKTWIEAVAZTVIC-ZWKOTPCHSA-N 433.143 4.732 30 10 IJEE Cc1c(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)sc2ccc(C#N)cc12 1462967468 CUMQRRZQXNGIDN-UHFFFAOYSA-N 425.560 4.933 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 1464221585 YFSQJRYFDONROM-LJQANCHMSA-N 444.963 4.930 30 10 IJEE C#CCOc1ccc(NC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)cc1 1465094575 LQZDWJZWZDSQJH-UHFFFAOYSA-N 428.517 4.729 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](COC)c1ccc(F)c(F)c1 1466817133 VYQIRRDQWSNDNC-QGZVFWFLSA-N 441.272 4.801 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCc2c1ccc(F)c2Br 1470163776 ZBDMPOQWPIWHOR-LJQANCHMSA-N 433.321 4.982 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1CCCN(c2ccccc2)C1=O 1473008893 LERXTPMMYZZENL-OAQYLSRUSA-N 434.565 4.639 30 10 IJEE C=CCN(CCC(=O)N1CCCc2ccccc21)Cc1cc(Br)ccc1F 1473141136 NQKHIAJVIRKDJA-UHFFFAOYSA-N 431.349 4.946 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)SCC(=O)N3)cc1OC 1474242537 OKNMPHHXTLMGJK-UHFFFAOYSA-N 435.343 4.679 30 10 IJEE COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cccc(CC#N)c1 1474893230 CEHFEOWWRIQUFS-FQEVSTJZSA-N 434.561 4.583 30 10 IJEE COc1ccc(Oc2ccc(CCNS(=O)(=O)c3cc(C#N)ccc3Cl)cc2)cc1 1475110993 GEWRQKMOWODBCN-UHFFFAOYSA-N 442.924 4.534 30 10 IJEE COc1cc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)ccc1OC(F)F 1476319966 BFAPXBRGDJOHCX-UHFFFAOYSA-N 433.802 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 1477434396 MUCJETILUSSLPV-RSXGOPAZSA-N 433.596 4.730 30 10 IJEE C=CCCC[C@H](NC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1)c1ccccc1 1479190810 NTBKGBSGTMEZKQ-NRFANRHFSA-N 445.604 4.799 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCCC[C@@H]2C)cc1 1492436341 HQLURUNAZIJQOS-SFTDATJTSA-N 440.661 4.882 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1sc(C)nc1C 1507702531 JOHNPTAHIFRUQM-UHFFFAOYSA-N 437.588 4.911 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(C)C)CC1 1507794261 DREWUQQWAUIXAJ-DENIHFKCSA-N 444.023 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC1CC1 1507796590 MRZIGMFZDZRENO-QUCCMNQESA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC1CCCCC1 1507806582 SOZXSJGQXDKWDZ-UGKGYDQZSA-N 429.634 4.632 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507888087 VWHLQGAOQHWXPQ-QFIPXVFZSA-N 434.506 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1507913160 OFVDFTMQXNARFY-UHFFFAOYSA-N 446.599 4.536 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1507925821 JDKVIXSSTHLQGM-HXOBKFHXSA-N 448.970 4.868 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1507928126 AEARHFPBRGQAMN-WOJBJXKFSA-N 447.624 4.712 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1507934821 HWVRBKLWVOESDB-UHFFFAOYSA-N 428.650 4.588 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)on1 1507938036 XITPBWCPMZWWOT-IBGZPJMESA-N 444.580 4.639 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1sc(C)nc1C 1508002603 KDXRSCVCLHENMP-UHFFFAOYSA-N 430.581 4.578 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](C)C1)C(C)C 1508013785 QXKKRRCXGYSEBU-ZRBLBEILSA-N 429.653 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccncc1Cl 1508015196 NBXYDJXDBRHENV-UHFFFAOYSA-N 431.931 4.610 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1Cc1ccc(F)cc1C(F)(F)F 1508041726 SEDMWQKPDABDPC-UHFFFAOYSA-N 426.458 4.781 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CCC)CC2)C1 1508117582 SAPZSKLDTNXMRK-QFIPXVFZSA-N 444.023 4.502 30 10 IJEE C[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1Br 1512242679 CRYCJRTXTNHNLV-CYBMUJFWSA-N 428.359 4.678 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)C)c1ccco1 1515523296 GKISWIHDCIHVNC-NRFANRHFSA-N 434.588 4.975 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1518562734 GEBHAUTWSSKXAH-YOMUGFJLSA-N 431.943 4.683 30 10 IJEE C=CCC[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccccc1 1525770482 JFEUMYAJWVYOHC-INIZCTEOSA-N 429.314 4.992 30 10 IJEE C#CCSc1ccc(COC(=O)c2c(F)cccc2I)cc1 1529135420 JJNULGXBWQZJEW-UHFFFAOYSA-N 426.250 4.513 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 1529301428 FVHQGRGBIKAYSQ-DEOSSOPVSA-N 431.923 4.681 30 10 IJEE CCCN(Cc1ccccc1Br)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1533239396 HXHOSGPTVNMZRP-NRFANRHFSA-N 426.358 4.728 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc(OC)c1OC 1535066491 BJSFDPLPORBJHC-UHFFFAOYSA-N 448.494 4.754 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1c(C(F)(F)F)nc2ccccn12 1535433302 QYQLVECNGQAEAX-UHFFFAOYSA-N 440.219 4.933 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 1538241186 JTJATNKRBNZGRL-UHFFFAOYSA-N 444.560 4.991 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C)CC1 1539504440 GVRBXZJHXVELNK-UHFFFAOYSA-N 436.581 4.720 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](CC)c1ccccc1 1539541888 OINCLEVBVROYEO-QGDZQMKYSA-N 436.600 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CC(CC)(CC)SC 1539570028 XEANOKUXHBRQIB-HSZRJFAPSA-N 442.629 4.780 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)C[C@@H](C)CC 1539587471 DHPLRQNYSQGZOJ-AWEZNQCLSA-N 437.382 4.743 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1539599422 FFSIQHOMHBGOQZ-FPOVZHCZSA-N 447.421 4.989 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 1539623276 LRXAJLYRIOFDTJ-PZJWPPBQSA-N 444.023 4.500 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1539694840 QNRUNZBQZNPWLH-QGZVFWFLSA-N 445.995 4.916 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1539965982 CSYJPBDINXVXLK-XPWALMASSA-N 429.653 4.619 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@H]1C 1539986074 SVVBCVYHWVHGPA-CYBMUJFWSA-N 425.758 4.552 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C)C1CCCCC1 1540048786 BJOYMIVEZLKXFY-GOSISDBHSA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCc1scnc1C 1540142155 IZBHHOOXUFQKMW-UHFFFAOYSA-N 436.610 4.910 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCOc1ccc(Cl)cc1 1542154257 UCMCGGCIRJXVQE-KRWDZBQOSA-N 431.360 4.603 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)c1ccccc1S(=O)(=O)C(F)F 1544686009 CJNDKDFKEAZLPH-UHFFFAOYSA-N 443.427 4.704 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC3(c4ccccc4C)CCCCC3)ccc2c1=O 1545052287 YGKQMIDZVSGMDI-UHFFFAOYSA-N 447.604 4.812 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]c4cc(F)c(F)cc4c3=O)cc2)c1 1547445946 FHQGFFBHIIYDCW-UHFFFAOYSA-N 431.398 4.509 30 10 IJEE C=CCC1(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)CCCC1 1556587256 ZFBWJYOYPSGXIE-UHFFFAOYSA-N 430.545 4.801 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](CO)c2ccc(F)cc2F)cc1OCC 1560540639 UZHZXTKSRBRICW-GOSISDBHSA-N 442.300 4.514 30 10 IJEE C#C[C@H](NC(=O)N(C)CCCN1c2ccccc2Sc2ccccc21)C1CCOCC1 1565105371 GLRBCTOXCLFNNM-FQEVSTJZSA-N 435.593 4.749 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 1566867004 CLDVIXHSZVGPNQ-LJQANCHMSA-N 432.561 4.508 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 1583056372 DFYHYTIOEGEOJM-PUHATCMVSA-N 443.632 4.920 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1583696259 YZPAIXVKFRULFG-NQIIRXRSSA-N 431.363 4.902 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1SCC(F)F 1586017666 HRZANMWKYCHQFI-AWEZNQCLSA-N 432.920 4.942 30 10 IJEE C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1586043502 HSYJIBZCYWWYJN-VIFPVBQESA-N 447.182 4.764 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCCCC1 1588197961 AKAOJRLSBLFDJT-UHFFFAOYSA-N 431.628 4.582 30 10 IJEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC=C(C(C)(C)C)CC1 1589097056 MRFMFNGUKUOVKA-UHFFFAOYSA-N 433.625 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC(F)(F)c1ccccc1 1589176928 CMRPAOJCFLMGCJ-OAQYLSRUSA-N 427.886 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCCCC1 1589569621 PQGKUROPTZXNFK-DHLKQENFSA-N 449.599 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCN1CCCC1 1589615244 NPBCHKADGCTDBB-UHFFFAOYSA-N 446.437 4.904 30 10 IJEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1cccs1)c1ccccc1 1593799732 CLKUGXPHTAWJGS-CBQOVEMMSA-N 438.597 4.974 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCCN2CC)CC1 1594194498 WIDRGWWDRZXWJU-TZIWHRDSSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@](C)(C#N)C1 1594484343 QMURFTXBXWLUQY-VWLOTQADSA-N 429.572 4.863 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1594583148 YRPPFLDCUVXETE-SJORKVTESA-N 437.327 4.722 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1594824743 POHBURZFDGLWJS-GOSISDBHSA-N 432.996 4.976 30 10 IJEE C=C1CCC(CNC(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)CC1 1595110845 FNOZGRLHAPIAMN-AWEZNQCLSA-N 425.314 4.566 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCC1(F)F 1595260013 FTJQKWDAANTPDG-RTBURBONSA-N 434.531 4.826 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1597057203 DHGBBQGBHXCUGM-ZACQAIPSSA-N 439.396 4.813 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 1617466436 PUDZIYMKXOLSMX-FUHWJXTLSA-N 426.542 4.523 30 10 IJEE COCCC1(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@@H](C)C#N)CCC1 1619784138 AKDUYFGHCHVQTH-ROUUACIJSA-N 441.645 4.934 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)C(=O)OCC 1624251390 DGCJXVIEJNALCN-CQSZACIVSA-N 443.714 4.985 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc21 1627746881 UFGAASSZROMDIS-QHCPKHFHSA-N 429.565 4.673 30 10 IJEE C#CC1(NC(=O)NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CCCC1 1629421369 UXAGCJCYADABAC-NRFANRHFSA-N 445.563 4.952 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 1635193987 KYVLTOPRDDITNI-HXUWFJFHSA-N 443.519 4.988 30 10 IJEE C=CCO[C@@H]1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 1642388598 NLMJWLGPIDDJNC-FGZHOGPDSA-N 436.379 4.737 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1)C(=O)OC 1643481259 CKFRKWFXVKVCAN-IBGZPJMESA-N 431.558 4.677 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCCC3)C(=O)OC 1651657534 ZNMKQAUNDQQKLY-KRWDZBQOSA-N 440.590 4.844 30 10 IJEE C=CCN(CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cc(Br)ccc1F 1652423270 BPMFLTMNMVDABB-UHFFFAOYSA-N 436.350 4.765 30 10 IJEE C=CC[C@H]1CCCN(Cc2cc(I)c(Br)cc2F)C1 1652792543 XRSIARGEQLEFPU-NSHDSACASA-N 438.122 4.981 30 10 IJEE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 1653664368 DSNRGKOULUVYAY-QMHKHESXSA-N 448.995 4.603 30 10 IJEE CCc1cccc2c(C3CCN(S(=O)(=O)c4cc(C#N)ccc4Cl)CC3)c[nH]c12 1653716996 BLPZIAZDICAMDG-UHFFFAOYSA-N 427.957 4.824 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccccc2Br)no1 1654319927 FLKOYGIFURSQJH-UHFFFAOYSA-N 426.270 4.772 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C1 1659142167 CSOCVYALIGJDIR-QFIPXVFZSA-N 426.564 4.830 30 10 IJEE COc1ccccc1[C@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)c1ccccn1 1663186747 DEGDHNLLTGZOJW-QFIPXVFZSA-N 449.557 4.553 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)Cc1cccc(F)c1Br)c1ccc(F)c(F)c1 1663462829 CXQVBKJZRTXZAU-KRWDZBQOSA-N 434.277 4.603 30 10 IJEE Cc1cnc2c(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)cccc2c1Cl 1663678090 AYHDYRQZTHIRAC-UHFFFAOYSA-N 435.915 4.975 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)NCC1(c2ccccc2)CCCCC1 1666258314 DSLFIKGSWSALTO-UHFFFAOYSA-N 433.371 4.501 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 1667045910 AJAHWGKEUBRTHO-LEWJYISDSA-N 437.483 4.504 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Sc3ccc(OC)cc3)c(Cl)c2)CC1 1667879393 XULWYQZXTSHWTK-UHFFFAOYSA-N 429.973 4.719 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@H](OC)C1(CC)CC)[C@H]1CCOc2ccc(Br)cc21 1670855856 UOPSMTBSOSJAMW-DFQSSKMNSA-N 449.389 4.511 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1)[C@@H]1CCCc2ccccc21 1673238787 IRKRMGIMKMFWSB-CJFMBICVSA-N 429.564 4.987 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 1673896543 UYCSMIPVHJYPIP-DEOSSOPVSA-N 425.548 4.759 30 10 IJEE C#C[C@H](NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)c1ccc(Cl)cc1F 1674036088 KLOCBESMLVKEGW-RBBKRZOGSA-N 435.326 4.898 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc(OC)c1OC 1677966792 NFRSTGKRMGXHSI-VXKWHMMOSA-N 446.975 4.643 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)Cc3ccc(F)c(Br)c3)cc2n1 1680698304 HDNSSPXQVMIRLB-ZDUSSCGKSA-N 431.309 4.877 30 10 IJEE C=CCSCCNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 1681292925 YNLSHTBXGVLQGE-HXUWFJFHSA-N 438.515 4.870 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 1682344713 MPJYZQOUSBGTQD-HJNYFJLDSA-N 443.563 4.711 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 1683106917 PGEMYHDTTYTHNX-OALUTQOASA-N 445.485 4.556 30 10 IJEE C#C[C@@H](NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(Cl)cc1 1686918579 OXWOMDJWDDTOLI-OAQYLSRUSA-N 441.959 4.751 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(F)c(F)c1 1689951384 VUMUCPYQTNHZSP-HNNXBMFYSA-N 426.536 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](OC)[C@H](C)CC 1689952933 ZSPQEMVLMGVASB-VQIMIIECSA-N 426.561 4.943 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@](C)(OC)C1CC1 1690090860 AOVVFEUTICUOTI-XMMPIXPASA-N 438.572 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1690261491 OMKSGGKRIYFQNK-GOSISDBHSA-N 431.544 4.540 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1690417189 IEZOOERHLBLUSX-ZHHKINOHSA-N 430.637 4.804 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 1690420397 MTTWDLNMTPXGHS-UHFFFAOYSA-N 445.409 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(C)C)C1 1690439474 GYGIMLOVVFXAMS-QFIPXVFZSA-N 426.605 4.883 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OCC=C)C1 1690456198 YXVQVIOSNFVRJS-KRWDZBQOSA-N 449.368 4.984 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690456542 HPXPTAOTCWMEFU-UHFFFAOYSA-N 442.007 4.936 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)C(=O)OC(C)(C)C 1690518483 LTIMFTUREOKCLG-MRXNPFEDSA-N 445.633 4.621 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccc(Cl)c1 1690526014 WFUAWGZHNRXYJX-UHFFFAOYSA-N 445.995 4.717 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1690585752 UQBKEBLYKGWFPL-AZUAARDMSA-N 445.405 4.947 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccncc1Cl 1690592799 IVYZCLWRPAMZQE-UHFFFAOYSA-N 432.915 4.875 30 10 IJEE C=CCSCCn1c(N2CCC(OCCc3ccccc3)CC2)nnc1C(C)(C)C 1690751106 WITSEIIDVXNJBU-UHFFFAOYSA-N 428.646 4.723 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)c1 1693319284 CQXSTAIYYPDBMZ-UHFFFAOYSA-N 434.594 4.945 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)C1 1697210984 AWDGFJGRFIEBAP-NBGIEHNGSA-N 437.588 4.560 30 10 IJEE COCCC1(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@H](C)C#N)CCC1 1697939222 DNANRGIZKHXCLS-GOSISDBHSA-N 432.572 4.604 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1705507616 APNHWXIUMRYSSB-SFTDATJTSA-N 433.600 4.843 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1705508880 XTPCMQLTKRFGOU-FXAWDEMLSA-N 432.515 4.774 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCc1ccsc1 1705625364 HLBAZGVPWIIJMA-UHFFFAOYSA-N 431.540 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1(OC)CCCCC1 1705677344 LBDXIXJIYKUWKB-RUZDIDTESA-N 436.600 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccc1C 1705711571 PCYDQAKTUWWRJH-UHFFFAOYSA-N 428.378 4.989 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](CC)C1 1705733311 LIAJFYTXKKWHCT-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)CC)CC1 1705777805 OXIHDMJYCPDCOQ-OAQYLSRUSA-N 433.394 4.579 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1705807432 CQYLHUZMTOTOCQ-IBGZPJMESA-N 430.543 4.756 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC=C(Br)C1 1705822838 SCCANCUJOPJIEJ-UHFFFAOYSA-N 431.378 4.929 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C1CCCCC1)N(C)C 1705866466 RJSJRANAEIJWRF-IFMALSPDSA-N 443.661 4.547 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CC=CCO1 1705879202 QKSZJEZLTBYCBP-LJQANCHMSA-N 442.922 4.911 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCO[C@H]2C(C)(C)C)cc1 1707532178 DYEWXABGOIWVHG-TXTKFYIRSA-N 439.604 4.603 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(OC)c(Br)c1 1708450738 DDBIGXKAHQTWSL-OAHLLOKOSA-N 446.393 4.741 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1709292550 GXCCRGYISMDTJX-VWLOTQADSA-N 433.556 4.561 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCc1nc(C(C)(C)C)cs1 1722302785 ULFDAJDZQTVGHI-LJQANCHMSA-N 435.641 4.908 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccsc1 1722310247 IKFOIKWWZJYBGC-UHFFFAOYSA-N 432.391 4.548 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H]2CCC[C@H]2CC)c1 1722310487 WQKWDSJBYXMASQ-IFMALSPDSA-N 433.600 4.818 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1722324574 UQGHLRPPABAKMG-HBMCJLEFSA-N 440.563 4.614 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1ncc(C)s1 1722418297 MARNRPDPYKHNMO-INIZCTEOSA-N 434.544 4.621 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2C[C@H]2C)CC1 1722575689 RWHYCSINTRGKFB-RHSMWYFYSA-N 431.378 4.775 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C2CC2)C1 1722624726 FSBYFCHYYFGZLY-MRXNPFEDSA-N 449.368 4.676 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCc1ccsc1 1722660686 CMRZGDOZLIPEHR-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCO[C@@H]2CCCC[C@H]2C)C1 1722718833 VETGITBLNVNPJH-AGILITTLSA-N 438.616 4.884 30 10 IJEE CCCC(O)(CCC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1727961228 IBWJJAWOHINQNY-PMACEKPBSA-N 439.604 4.542 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740568263 DKMISOZCKYUMDH-JOCHJYFZSA-N 435.616 4.541 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](c1cccnc1)C(C)C 1740600009 HMVXXAPHOALBDS-AVRDEDQJSA-N 437.975 4.976 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1sccc1C 1740647738 TXXFHMPPPVUJAO-UHFFFAOYSA-N 440.519 4.622 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)CCOCC 1740757862 XYKUBZONCKNHDO-JXFKEZNVSA-N 436.959 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1C[C@H](F)C1 1740773587 YUXVZSYUHQCCGE-UFYCRDLUSA-N 449.615 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CCN1CCc2sccc2C1 1740775288 UHYCFSIZPRVGHZ-UHFFFAOYSA-N 435.641 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1cn2ccc(C)cc2n1 1740775647 BUTMONBMWUNXFI-UHFFFAOYSA-N 444.583 4.881 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740847040 VQKZFJGKYAZGHU-UZUQRXQVSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740847106 XDLVZNWLEAVKLF-UHFFFAOYSA-N 439.604 4.770 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCc1cccc(C(=O)NC)c1 1740923660 REMQHSSBMKEJKC-UHFFFAOYSA-N 449.624 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)c1nccs1 1740929916 JSXZNNGNHZBLSY-SFHVURJKSA-N 431.569 4.569 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1CCc1csc(C(C)(C)C)n1 1740940101 TYRWQRIZRDZCDQ-UHFFFAOYSA-N 443.592 4.720 30 10 IJEE COc1cc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)ccc1Cl 1748528981 GJGTWEXNDNIPAC-AUSIDOKSSA-N 443.979 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C2CC2)CC1 1748679487 CRCWCHNIPLWLPT-SFHVURJKSA-N 426.992 4.900 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1748685001 SLFRHRTYXZQRIE-IMSXRSKXSA-N 438.616 4.773 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCCSC 1748833728 XNZKELJZSMRFHG-GOSISDBHSA-N 426.655 4.738 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CCCC(C)(C)C 1748937392 JLKWIADDEFBCMI-UHFFFAOYSA-N 433.394 4.905 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CCC1 1749122431 VWDACPFHKBEETD-AUUYWEPGSA-N 449.368 4.817 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)COCC 1749147337 FGBHNVIAWFKWJN-UHFFFAOYSA-N 438.414 4.511 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1749298476 SSJLWBIMLQWMPD-JOCHJYFZSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCCC2)CC1 1749348029 JNJMAVGNYPIPRO-HXUWFJFHSA-N 437.632 4.608 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749391095 QNUAHZJJABRIAR-RXFWQSSRSA-N 438.616 4.983 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 1749445740 WYTYOWFYQQJEQI-HNNXBMFYSA-N 426.895 4.510 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCc1nc(C(F)(F)F)cs1 1749502488 WBKYKOCETYMOAQ-UHFFFAOYSA-N 437.491 4.506 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCSC1)C1CC1 1749510412 GNUWGWJYCRUGKZ-LBPRGKRZSA-N 425.421 4.677 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCc1ncc(CC)s1 1749531503 INLUMTDURPKZJR-UHFFFAOYSA-N 432.597 4.871 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1749538117 DOBVOIKSILMKRS-FYYLOGMGSA-N 446.599 4.769 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC1(C)C 1749548829 LDJHLLJCPUESSH-FDDCHVKYSA-N 430.618 4.619 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC=CO1 1749587252 MUWUOJPMBVYURP-IBGZPJMESA-N 425.920 4.514 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1749754180 GYJNMYCIWXWGPO-KRWDZBQOSA-N 441.601 4.619 30 10 IJEE CC(C)SCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1751058754 CJIMVERLAVGXAG-HTAPYJJXSA-N 431.581 4.829 30 10 IJEE Cc1cccc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1751631301 IEBRPXCHXZYQGW-CLOONOSVSA-N 448.546 4.633 30 10 IJEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1760136638 AXCKGRVBXULPCW-PMACEKPBSA-N 441.645 4.940 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C(C)(C)C 1760163183 OEXFHPWXFIOUGG-HKUYNNGSSA-N 432.996 4.819 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](C)C1 1760284411 LSWMQSKPZLNMEQ-HXUWFJFHSA-N 426.630 4.892 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(C)C 1760299101 HIKHDJXUUQGBTD-YADARESESA-N 429.609 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1760414835 FEKCOICRSFJUCN-NRFANRHFSA-N 426.605 4.937 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1760421703 XUTQSUAIYNFSFI-QZTJIDSGSA-N 429.996 4.700 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760443538 JAZRYSVQADCYSW-IAGOWNOFSA-N 438.494 4.857 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CN(C)C 1760456791 XIZVKMAVNMFQRS-GOSISDBHSA-N 434.028 4.898 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CCCCC1 1760478142 WYUPGAGTXUQLGF-SANMLTNESA-N 449.599 4.806 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC2(CCC2)C[C@H]1CC 1760510853 RDABBSRPFHIFFF-LJQANCHMSA-N 429.609 4.738 30 10 IJEE N#Cc1c(O)nc(S[C@H](CCc2ccccc2)C(=O)O)nc1-c1cccc(Cl)c1 1860466553 YYTDIOCSTPWJOS-QGZVFWFLSA-N 425.897 4.552 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C(=O)O 1862381232 VIQCZWMUHRGIBX-KRWDZBQOSA-N 434.275 4.680 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)cc2)cc1 1862392105 PQIJGJNPWJZFDD-YCRPNKLZSA-N 427.928 4.642 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2Cl)cc1C 1862402879 JNTMZFGOZFYMGT-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)c1 1862419115 OTHLTCNXBOZMKZ-OAQYLSRUSA-N 439.414 4.735 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Br)cc2)ccc1F 1862512227 QIFGIINTWWKJJT-SFHVURJKSA-N 430.273 4.637 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CC2)c1 1862525556 FGNXCCRYBUPKCV-IBGZPJMESA-N 442.309 4.589 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(CC)cc2)cc1 1862529190 CISQUGQSMSOFTD-DEOSSOPVSA-N 426.516 4.985 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@@H]2c2cccc(F)c2)cc1 1862529808 KDYVNVTYOBGEAT-HSZRJFAPSA-N 438.543 4.698 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(C)c2)cc1 1862554413 BWIZIBYUUUWTEE-XMMPIXPASA-N 426.516 4.707 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2)c1 1862556115 PHIOSMPAEOJJFL-QHCPKHFHSA-N 430.479 4.803 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862565101 PFUVLAFBZMHPMG-LJQANCHMSA-N 449.334 4.581 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1862582322 BGQKIBXHAKYHHG-KRWDZBQOSA-N 434.275 4.680 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(C)cc2)c1 1862591574 JQMMWBBLPNNHCV-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2cccs2)c1 1862596556 IQZKCQLKPKWQMC-QFIPXVFZSA-N 449.528 4.673 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862695009 YDILIWKQWBPNRG-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1 1863144286 CZQRTFVHYYNECW-MRXNPFEDSA-N 441.462 4.659 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccncc3)C2)nc(-c2ccccc2Cl)n1 1869245010 ZAWREFOJWZEPEV-JOCHJYFZSA-N 447.970 4.948 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN(CCC)CCCC 1870531864 OEIGUUHMIYQDAD-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCc3ccccc3C2)C1=O 1871394491 AYPPBDRBBFLKKM-MYYYXRDXSA-N 427.500 4.965 30 10 IJEE COc1cc(/C=C2\Oc3cc(OCCOc4ccccc4)ccc3C2=O)cc(OC)c1OC 1871398785 PUGLKZSQLFSSGL-XKZIYDEJSA-N 448.471 4.786 30 10 IJEE CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)OC(=C(C)C)C3=O)c1 1871425786 OWECGRSODCKACR-IBGZPJMESA-N 437.492 4.837 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871433942 JZVNLNXHSNRLGF-FMCGGJTJSA-N 449.890 4.660 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871434421 SPXUTFWRBGKRGO-YNGKYYQNSA-N 425.437 4.630 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871440282 HIPNTQXLYWTZME-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871653455 ICFXYASBCKIUFH-UHFFFAOYSA-N 442.970 4.732 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871807134 BQSZTIVTXGSRKA-HRAATJIYSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871985828 NADDUJVCGABVEA-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCCC 1872156373 KLQVAEJTQIQTOY-QHCPKHFHSA-N 449.661 4.648 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872303733 IIBPOVRZXPPAPD-OAQYLSRUSA-N 434.989 4.859 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872570928 ADJKWUKFJRMBDD-AUSIDOKSSA-N 428.598 4.842 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCC(C)CC1)n2Cc1ccccc1 1873555213 OYMYTBJKQCXNBQ-UHFFFAOYSA-N 429.568 4.530 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(NCc3ccc(C)cc3)ncnc21 1873641850 PNPNTPWFCJYBGF-UHFFFAOYSA-N 441.491 4.519 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874247784 WDAFUAPLSVXBGR-XQNSMLJCSA-N 439.541 4.891 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(=O)OC)cc1 1874254798 SSAPVBBBIPRPEL-ZMOGYAJESA-N 438.553 4.563 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)OC)cc1 1874284750 WQAHRUXPPNKPLE-BUVRLJJBSA-N 442.972 4.888 30 10 IJEE CCCSc1nnc(COc2ccccc2OC)n1/N=C/c1cccc(OCC)c1 1874290349 PGALESFPWFFWQS-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1F 1874408746 NQZHLQXBUXCTLU-ZMOGYAJESA-N 432.565 4.714 30 10 IJEE COc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)cc1O 1874412822 XUUXCLBHSLHCTB-OEAKJJBVSA-N 436.562 4.819 30 10 IJEE CCOc1cc(/C=N/n2c(SCC)nnc2-c2ccccc2)cc(Br)c1O 1874427509 NPSXRXKFVSZKMH-CIAFOILYSA-N 447.358 4.806 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1/N=C/c1c[nH]c2ccccc12)Nc1ccccc1 1874464227 YEMDARVUPSPAKD-AFUMVMLFSA-N 442.504 4.632 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874486773 KDLGEYTYIBNPMK-UFFVCSGVSA-N 429.373 4.810 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(F)c2)c1 1874494176 SYFFDCSVHSXWFO-DHRITJCHSA-N 437.544 4.915 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1)NC1CCCCC1 1874496044 SMMPENGYBQPJMT-YDZHTSKRSA-N 431.993 4.622 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2CCc2ccc(Cl)cc2)cc1OCC 1874565951 DFLYMWZPSIFQEJ-OEAKJJBVSA-N 430.961 4.685 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCC 1874639235 PFNWDLHWHTZEQG-RMKNXTFCSA-N 431.916 4.548 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1cnccn1 1875112526 CAKCEEPBIFQJGK-RUDMXATFSA-N 438.867 4.653 30 10 IJEE CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2cccc(F)c2)C1 1891124565 GBZIRIBTOAXPFK-QGZVFWFLSA-N 434.355 4.992 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1922069177 OQCOWZBMTNWJCL-QDSKXPNFSA-N 440.584 4.585 30 10 IJEE CCN[C@@H](CC#C[Si](C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1987482772 NVGLJABSLNLHMX-ILWGZMRPSA-N 432.681 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N 2010515722 GTWAFOXLYPRSDO-IBGZPJMESA-N 443.931 4.650 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C12CCCC2 2024608267 IJQURLWSMBDUGB-LJQANCHMSA-N 437.625 4.759 30 10 IJEE C#CCOc1c(Cl)cc(C=C2CCn3c2nc2sc(C)c(C)c2c3=O)cc1OC 2042434902 IGOGTALATHXROB-UHFFFAOYSA-N 426.925 4.693 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1(C)C 2068175463 KTFNMRYFASYHSH-GJZUVCINSA-N 446.632 4.668 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(F)c2)C(C)(C)C)c(I)c1/C=N/O 2079089433 DGWTYDWDZZRTSS-PPAWOMOGSA-N 443.304 4.941 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 2159128033 NGQOMXSESYAZRD-VQTJNVASSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181147513 SMXVSYUAFGRLQU-FOIQADDNSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@H](O)C#Cc1ccccc1Br 2235735204 SUVFKKVLGGAMRQ-VQTJNVASSA-N 428.326 4.528 30 10 IJEE C=C(c1ccccc1)[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415639 AJLRQBJFJFUUBO-UXHICEINSA-N 431.374 4.926 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2255688010 PBISOQZXWVIXKZ-UHFFFAOYSA-N 425.353 4.813 30 10 IJEE C=CCCC1([C@@H](O)Cc2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266299855 DLNAXFVDGNOJSK-KRWDZBQOSA-N 428.342 4.695 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC(C)(C)C 2267002524 ATSWRVMNGKOJPM-UHFFFAOYSA-N 437.389 4.683 30 10 IJEE CC(C)(C)OC(=O)NCCOc1ccc(Nc2c(Br)cccc2C#N)cc1 2285180401 GYZMAVXQYKZKTE-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE C=CCC1([C@@H](Cc2c(F)cccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 2289566330 UZCQDNUDZUEGSZ-GOSISDBHSA-N 441.385 4.922 30 10 IJEE CCOc1ccc(N=C2NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)S2)cc1 2294010624 BANSOIKWSAWXPR-UHFFFAOYSA-N 446.370 4.805 30 10 IJEE CC(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4C#N)o3)C(=O)NC2=S)cc1 2294216850 HUZXRJZHLGPVJO-UHFFFAOYSA-N 441.512 4.773 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 2296218270 CHZGDAKRTWCRAQ-PMACEKPBSA-N 435.406 4.720 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CC([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2305316871 PSAQDTYAUURZKF-LQAIBEDLSA-N 428.573 4.555 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 2314477730 LUKFFKHDQDPJAI-RUZDIDTESA-N 441.531 4.514 30 10 IJEE Cc1csc(N=C2SC(=C3C(=O)Nc4ccc(F)cc43)C(=O)N2C2CCCCC2)n1 2314543812 MVEPADYQYWLBEA-UHFFFAOYSA-N 442.541 4.850 30 10 IJEE CCC[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317352133 UFSKIMNRWVXWTG-GOSISDBHSA-N 432.370 4.798 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318950443 YFENATUDMLUBII-DHLKQENFSA-N 447.572 4.799 30 10 IJEE CCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O 2321839367 YBHOWHVXNWWHJP-CYBMUJFWSA-N 431.282 4.704 30 10 IJEE Cc1cccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCC5(CC3)OCCO5)C4)C2=O)c1 2322430209 RXIOIEBZYVZSPB-UHFFFAOYSA-N 447.531 4.757 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1OC 2323060056 BMCFAKHNGXWFKJ-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1OC 2323060754 ZBJCMAMRMVKCGV-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323153895 VYZQZPXSSWELSP-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2323301342 VJLOEUSZGGCHQS-LVXARBLLSA-N 442.600 4.993 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1OC 2324366360 WIKILEKQEVVIID-QGZVFWFLSA-N 435.461 4.625 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(O)cc1O 2326525968 MMQRRYWKYXAKQV-UHFFFAOYSA-N 444.944 4.781 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc1[N+](=O)[O-] 2326567831 INCCCPWTXSEYPH-UHFFFAOYSA-N 449.895 4.860 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SC)cc1 2327410519 SYLVYRZFVYVDKG-UHFFFAOYSA-N 431.512 4.586 30 10 IJEE O=C(N[C@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2)C1)c1cc(Cl)cc(Cl)c1 2328343764 RWTQPWAAFQKLCL-RBUKOAKNSA-N 437.754 4.780 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)c1ccccc1 2330611701 LVABPCDLOFKNDN-XMMPIXPASA-N 437.540 4.942 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)cc2)c1 2331045285 VZWNALZJKABAIA-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(C)cc2)o1 2331450830 GEVYQSPUNKFFGQ-UHFFFAOYSA-N 426.542 4.729 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1N=Cc1cn(C)c2ccccc12 2331706822 GEQQXIPMAORHHE-UHFFFAOYSA-N 440.617 4.516 30 10 IJEE C=CC[C@H]1CCC[C@H]1NC(=O)c1ccc(I)c(Br)c1 2337063303 AAAYGSAPYXSPTL-IINYFYTJSA-N 434.115 4.528 30 10 IJEE Cc1cc(CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)sc1Br 2339421149 OIBVYKFVHRFARM-UHFFFAOYSA-N 443.603 4.779 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587615 XFQQGDGTHIJKBA-FPEXNTMUSA-N 441.381 4.536 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2339680177 UEITVOINEFRYMM-SJORKVTESA-N 427.383 4.886 30 10 IJEE COc1ccc(Br)cc1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364850040 VORCQOHTUIVNBO-UHFFFAOYSA-N 439.546 4.549 30 10 IJEE C=C([C@H](OCCC(=O)O)c1sc(Cl)cc1I)[Si](C)(C)C 2366704633 PGUQZNHACJTNES-LBPRGKRZSA-N 444.794 4.972 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCN[C@H]1C(F)(F)F 2370237470 MCDSHZSXDUGLJT-PBHICJAKSA-N 448.283 4.767 30 10 IJEE COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccc(C#N)cc2)CCC(=O)N1c1ccc(C)cc1 15326634 BZOGXQPKCDATJE-OZXSUGGESA-N 439.515 4.998 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)c1 20833081 BYBBKRLUEGABDK-LSFURLLWSA-N 449.367 4.905 30 10 IJEE CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 27532777 YDHNHFKGAZAZSA-LJQANCHMSA-N 428.319 4.995 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cc(C)cc(C)c2)Nc2cccc(OC)c2)c1C 32973191 FTEZHNHMYCSTPQ-UHFFFAOYSA-N 447.583 4.586 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)c1 34955309 MKCGXFPMKXBHIG-FMIVXFBMSA-N 448.471 4.836 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)c(C)c(C#N)c2=O)cc1 38624150 NSNVSJQJUGZIPU-LPHOPBHVSA-N 445.346 4.865 30 10 IJEE COc1ccccc1CSc1n[nH]c(N/N=C(/C)c2ccc(Br)cc2)n1 59020726 BOBUFPNHNTUSMN-MTJSOVHGSA-N 432.347 4.704 30 10 IJEE Cc1ccc(NC(=S)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1F 59157199 MECDLRPWHNCDEM-DHRITJCHSA-N 437.496 4.732 30 10 IJEE C=CCn1c(SC[C@H](O)COc2c(Cl)cccc2Cl)nnc1-c1ccoc1C 61716615 FDQXXYJSJKHMBO-CYBMUJFWSA-N 440.352 4.871 30 10 IJEE CCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)NCCc1ccccc1 100170664 JZSIYJKNFYIRMB-UHFFFAOYSA-N 425.598 4.833 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CC1CCCC1 100430283 QOSXETABWNPBHW-QFIPXVFZSA-N 436.637 4.748 30 10 IJEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N/c1cccc(C(=O)O)c1 101132888 ALXVCFAMPVFTCN-XAEZOWLJSA-N 443.322 4.937 30 10 IJEE COc1cccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1 102512733 WSOXTTRKSXBLPB-HQMFNGAOSA-N 438.480 4.534 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)/C=C\c2ccco2)cc1Cl 107877602 CZBOGKSPBNBYNJ-IZKUIKQZSA-N 433.895 4.747 30 10 IJEE COc1ccc(CN2CCC(NC(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1F 108583027 YDOQIEOFMWXPGP-UHFFFAOYSA-N 443.522 4.767 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)ccc1F 170050055 LZNNUBMLLRLUJJ-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2)cc1 170054302 KNGPQZANEAXMCJ-XMMPIXPASA-N 438.483 4.955 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 170132786 GCXPQGHJTKDBFY-HSZRJFAPSA-N 429.472 4.962 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)cc1C 170142558 IEBCXVBQSNJKTE-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)cc1C 170191263 KLMZUAFXXLTAEE-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1C 170231282 IRYPYZKMMQAMQX-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)cc1OC 170271765 HLWLEZXICXPYAE-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2O)o1 170301020 RXWPESYKTRAFRF-HSZRJFAPSA-N 429.472 4.955 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3c(OC)cccc3OC)cc1)C2=O 210090293 CSMBPRAUMYDVHM-OEAKJJBVSA-N 446.455 4.938 30 10 IJEE Oc1ccc2ccccc2c1C=NNc1nc(=Nc2ccccc2)[nH]c(=Nc2ccccc2)[nH]1 253778633 JFIAYZDAWAEUOS-UHFFFAOYSA-N 447.502 4.507 30 10 IJEE N#Cc1cc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccncc2)ccc1Oc1ccccc1 426921775 UVSMDCIIYMWGAF-RUZDIDTESA-N 448.482 4.590 30 10 IJEE CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(F)c(C#N)c1 431916602 OAZOTRIFTYBITH-NRFANRHFSA-N 429.904 4.546 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1 437853781 XSYMDSQVDVSJQH-FDDCHVKYSA-N 437.515 4.634 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 460773477 KNYCQFWOBXMHML-GMAHTHKFSA-N 447.539 4.687 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 469824685 KCGCXVQVQVLMNX-MRXNPFEDSA-N 427.476 4.982 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 475572489 OZJSWJBQYOEPIC-UHFFFAOYSA-N 443.613 4.688 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2Cl)nnc1-c1ccco1 482198657 MJAWYBMMONUAJZ-CYBMUJFWSA-N 434.924 4.876 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)c2)cc1 521492217 GMLBCSJWSSKUAN-QHCPKHFHSA-N 427.460 4.720 30 10 IJEE N#Cc1cccc(Cc2nc(-c3ccccc3-c3ccc(CN4CCCC4=O)cc3)no2)c1 547030082 UPDNFPWWCYJPCP-UHFFFAOYSA-N 434.499 4.988 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 549271367 GHHBLHLNHQSJGZ-MRXNPFEDSA-N 428.993 4.527 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cccs2)CC1 549567421 PVZCJACYSGHVFK-UHFFFAOYSA-N 429.496 4.786 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1CN(C)Cc1ccco1 610200426 UFIRFUDVZVKGRK-VWLOTQADSA-N 431.536 4.503 30 10 IJEE CC(C)(C)C#CCC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686820102 LVOZKFCEKXPBFG-UHFFFAOYSA-N 426.601 4.945 30 10 IJEE C=C(COC(C)C)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693640491 SKUHILGFEPKGMK-JYFHCDHNSA-N 445.648 4.505 30 10 IJEE C[C@@H](NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(OCC#N)cc1 705610821 PNMKTNQEPYVEAR-HSZRJFAPSA-N 441.575 4.711 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C#N 747291940 WMUGJBXZGARXGV-UHFFFAOYSA-N 426.476 4.648 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCO[C@H](C3CCCCC3)C2)c1=S 758289588 JGPBYSJHWDCFCD-NRFANRHFSA-N 428.602 4.514 30 10 IJEE COc1ccc(-c2nc(SCc3c(F)cccc3Br)nc(O)c2C#N)cc1 771549192 UOPRKSXNTLWLNI-UHFFFAOYSA-N 446.301 4.923 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 796793521 SGBZKLSRMYRTPF-XIKOKIGWSA-N 433.291 4.558 30 10 IJEE COc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)cc1C#N 797487217 YBYQWIYTBCNKDN-GOSISDBHSA-N 432.293 4.515 30 10 IJEE C=CCOc1ccc(CC(=O)OCc2cc(Cl)ccc2I)cc1 1130243533 XCAPNLOMUDDFDC-UHFFFAOYSA-N 442.680 4.795 30 10 IJEE C=CCn1c(SCC(=O)NC2(C3CCC3)CC2)nnc1-c1ccc(Cl)cc1Cl 1130450983 CQOIVECPRAKLNA-UHFFFAOYSA-N 437.396 4.979 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2SC)nnc1-c1ccc(Cl)cc1 1130474488 DDBLHXQLEWRBJJ-IAGOWNOFSA-N 437.034 4.667 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)c1 1136675152 LIMJVEAOUYZUCE-UHFFFAOYSA-N 430.576 4.538 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnn(C)c1C 1150688365 OAKXUCSPICLSLO-HSZRJFAPSA-N 444.535 4.541 30 10 IJEE C=CC1(CC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1152592768 OKGFUPXNYMAGFQ-UHFFFAOYSA-N 435.515 4.707 30 10 IJEE C=CC1(CC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1169210158 LZQPDBPMARBEQH-UHFFFAOYSA-N 432.870 4.788 30 10 IJEE N#Cc1ccccc1S(=O)(=O)N1CCCc2cccc(NC(=O)CC3CCCCC3)c21 1186995925 BZAOWYJJNHHQTL-UHFFFAOYSA-N 437.565 4.609 30 10 IJEE C=CCn1c(S[C@H](Cc2c(F)cccc2F)C(C)=O)nc2sc(C)c(C)c2c1=O 1188226128 PPDSRQNMPXMZFW-QGZVFWFLSA-N 434.533 4.831 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(C)Cc2ccc(F)cc2Br)cc1C 1194051357 CSUOOUANQXVSTG-UHFFFAOYSA-N 432.337 4.584 30 10 IJEE CC(C)(C)c1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)n(-c2ccc(C#N)cc2)n1 1205103996 DPJZTCIGCRFLAU-FQEVSTJZSA-N 446.555 4.593 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCc3c2ccc(F)c3Br)c1 1222004300 DHFSHVNJAGQCLS-KUHUBIRLSA-N 446.320 4.756 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 1224476496 AJJBNGYGQZLYOM-BRWVUGGUSA-N 440.401 4.652 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1230908464 WQJPNGHMJIVMLH-QBIMZIAESA-N 438.412 4.889 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)c1ccccn1)c1ccc(Br)cc1 1252458814 MSGHLOFCTGCZNU-IRLDBZIGSA-N 448.364 4.844 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CC(C)(C)OC1(C)C)[C@@H]1CCOc2ccc(Br)cc21 1255813542 PTLVVXRENBUIQS-MAUKXSAKSA-N 449.389 4.511 30 10 IJEE Cc1nnnn1-c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cc1 1264747393 AOTOMQLHAURJGY-UHFFFAOYSA-N 430.855 4.540 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCCCO1 1286306431 UZSMDVKINVRAAH-NVXWUHKLSA-N 437.371 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC(C)(C)N1CCCCC1 1286529056 RXWWTFYMIMTYLR-HHHXNRCGSA-N 449.643 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC)c(F)c1 1286569131 FAONJFQBFVFZSK-UHFFFAOYSA-N 429.927 4.786 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ccccn2)CC1 1286682056 BPWXVWPIKWADTI-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286795657 LJCACINZYHFFQD-HSZRJFAPSA-N 447.583 4.513 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCOC2)C1 1286826357 FTEFXNFOVSSVTN-DEOSSOPVSA-N 426.630 4.779 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F 1287248753 HGOVBQQCEJKWOQ-KRWDZBQOSA-N 439.507 4.607 30 10 IJEE C=CC1(CC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)CN(C(=O)OC(C)(C)C)C1 1291713157 IIMYHZWKMHYFOU-UHFFFAOYSA-N 445.560 4.933 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1)c1ccccc1 1295199441 SQSCZEDRHCNKIZ-DEOSSOPVSA-N 432.545 4.599 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1300348599 MLXDBEYYCSOISJ-UHFFFAOYSA-N 447.627 4.540 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C2(CCC2)C1 1300424937 PLBNZIBPKFFEQR-PMACEKPBSA-N 441.620 4.780 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 1300429799 COLJLEWRKFEQGD-CQSZACIVSA-N 427.961 4.523 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCSC1 1300789078 XBLMHQXKDAPFLX-HRAATJIYSA-N 445.430 4.843 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCOC(C)(C)[C@H]1C 1300831969 CHSFNVJOWIMBCI-CQSZACIVSA-N 431.334 4.604 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCc2ccccc2[C@@H]1C 1300853152 KPCYMONJKJEAJA-HNNXBMFYSA-N 429.387 4.963 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301023838 JSRUPWLHBKIRGE-GDBMZVCRSA-N 439.785 4.772 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H](OCC)C(C)C)CC1 1301073202 XWJPPBUAMBPDQD-QFIPXVFZSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCCCC2)CC1 1301109081 FWDLCMYHHHNCFA-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1301187774 YLJCCCVLTSLOLM-UHFFFAOYSA-N 439.579 4.574 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 1301246271 OVXTWGJICLNJQX-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CC[C@H]1N(CC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)CCCC1(C)C 1307729994 QKOBYCRETWZMEI-HXUWFJFHSA-N 429.586 4.833 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O)[C@@H]1CCCc2ccccc21 1312744123 AUBOHAXREQOIRG-UKDVSSAZSA-N 447.554 4.600 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(F)c1I 1352660953 NNTLHRZYHZCDFK-UHFFFAOYSA-N 435.689 4.974 30 10 IJEE C=CCc1cc(CNC(=O)CCc2ccc(Br)c(C)c2)cc(OC)c1OC 1357245973 CGIKNACYFVOCBQ-UHFFFAOYSA-N 432.358 4.752 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCn1ccnc1C 1358874052 RNDRCDOAHQDHHY-MSOLQXFVSA-N 440.979 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@](C)(O)C1CCCCC1 1358944362 QPJVFIZYRBJOFW-SANMLTNESA-N 438.616 4.771 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCC1CC(OC(C)(C)C)C1 1358970022 CQTOGPRQQCJZOC-FOJYNEPKSA-N 432.612 4.877 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCCCC[C@H]21 1359050581 VJZYWGSETHAWQB-CRAIPNDOSA-N 448.434 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)N1CCCCC1 1359108338 JZQHFYVGXTZYII-UHFFFAOYSA-N 449.441 4.703 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC(F)F)c1 1359146340 VUSJPNOZDKDZID-UHFFFAOYSA-N 440.281 4.984 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1359148771 BZLRZIXPHJGBJF-FQEVSTJZSA-N 436.991 4.502 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(SC)CCN(C)CC2)CC1 1359160314 RAWZIAPZTSEIEI-JOCHJYFZSA-N 439.673 4.804 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359164082 DOCYUPUALOWABJ-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2oc(CCC)nc2C)CC1 1359167353 COMZWDMLYZFVQD-UHFFFAOYSA-N 435.572 4.526 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H](C)SC)CC1 1359173457 GUWZGMDWUXSDII-ROUUACIJSA-N 430.618 4.971 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CCCCCC2)CC1 1359181323 OIEYMAAKNHKRHX-UHFFFAOYSA-N 438.616 4.962 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359212411 KXVBZGZZJNMNAD-UYAOXDASSA-N 425.577 4.651 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1359212872 AKRYZZNYUIQQDG-FQEVSTJZSA-N 448.615 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1359263908 PKNIOHRFPKPLAL-UHFFFAOYSA-N 433.622 4.646 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(COC)CCCCC1 1359274710 XJRQNCBRQGIPGE-NHCUHLMSSA-N 430.637 4.972 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1occc1C 1359278806 HTMLZIQOMQTOFS-UHFFFAOYSA-N 449.580 4.966 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1359289650 YTRQFQQKZTZHTQ-FQEVSTJZSA-N 444.023 4.645 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(C)C)CC1 1359338890 KWMTXDSFZDMIBZ-UHFFFAOYSA-N 438.016 4.577 30 10 IJEE C#CCCCCCC(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1359946122 ZDNCUDKIAASKOS-OAQYLSRUSA-N 442.556 4.765 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)cc1 1435305450 HWCPAVZZVOTPHS-UHFFFAOYSA-N 437.517 4.686 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 1448917390 AWOLCFQKINDRIT-UHFFFAOYSA-N 426.586 4.909 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)C1 1454048829 JPIKSXNGIFQXNQ-LJQANCHMSA-N 438.593 4.579 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 1458505657 LXLIPKUHGWYTCP-BDJLRTHQSA-N 447.347 4.645 30 10 IJEE C=CCOc1ccc(CN[C@H]2CCc3cc(Br)ccc3NC2=O)cc1Cl 1461709640 LLCXGBROCCKFNR-SFHVURJKSA-N 435.749 4.710 30 10 IJEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc21 1462714955 KQDREANHBOORNE-QGZVFWFLSA-N 446.528 4.853 30 10 IJEE C#CCN(C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)[C@H]1CCCc2ccccc21 1463014876 JTHDZUQFRQOLPN-QFIPXVFZSA-N 431.463 4.511 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl 1466049613 AFZMUSABJHLVKE-LRDDRELGSA-N 428.842 4.566 30 10 IJEE C#CCCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1472481739 AFMVNPBCTBMSJX-UHFFFAOYSA-N 425.337 4.926 30 10 IJEE C=CCn1c(SCC(=O)NCCc2c(C)cc(C)cc2C)nnc1-c1cccs1 1472999726 BYVWHOYKIKWAJM-UHFFFAOYSA-N 426.611 4.569 30 10 IJEE O=C(CN1CCC(=O)Nc2cc(F)ccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1473258262 GKHMADXDOKIJJO-UHFFFAOYSA-N 449.326 4.651 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1 1474923353 PCJMAHAZVCGHGQ-UHFFFAOYSA-N 426.519 4.650 30 10 IJEE CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 1478105773 FPOQAZGPXQXBNU-HSZRJFAPSA-N 434.584 4.966 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1492636729 FRUUBYDJZHPHLD-MWTRTKDXSA-N 431.569 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1507516977 OCRPVMPIHUDEHY-UGKGYDQZSA-N 431.584 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C2CC2)CCC1 1507523779 PKBDIHYNGZVSKX-HNNXBMFYSA-N 443.389 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](C)CN1CCCCC1 1507766105 IMXWRAVFUPOFEM-YADARESESA-N 426.008 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C 1507799453 WKYOLIKUFXDMGW-ZQAYVECASA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCN(C)c1ccccc1 1507810753 YBWVZKRZLQRZJG-DHLKQENFSA-N 437.632 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1 1507819632 UIDBLPHRQVCSBR-OALUTQOASA-N 449.665 4.548 30 10 IJEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)C1CCCCC1 1507845820 QKKQRXBVDLIHJS-CVDCTZTESA-N 440.588 4.788 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCCCCC2)CC1 1507881104 RCVCJBAKGBMVPA-UHFFFAOYSA-N 430.980 4.849 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1507913866 FCQFIXBBHHVQMV-RZQQEMMASA-N 445.435 4.625 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)c1nccs1 1507974065 RRRSCAFMDPQVNM-INIZCTEOSA-N 427.574 4.623 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1cccc(C2OCCO2)c1 1508006576 RXMYKSWYUGSJEN-UHFFFAOYSA-N 438.597 4.923 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cnn(CC(C)C)c1C 1508012867 GBGHIHGATNZNHQ-UHFFFAOYSA-N 441.583 4.881 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCN1CC 1508015366 SRPMMFZGTNFDMD-AZUAARDMSA-N 425.646 4.794 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2COc3ccccc3O2)n1CCC=C(C)C 1508034501 VZKDSFHRFGTUOT-QHCPKHFHSA-N 434.540 4.975 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1508062522 IDMYWFCAPPQDGJ-IBGZPJMESA-N 431.378 4.537 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1cccs1)N(C)C 1508415176 CEELMMYSDMTDHN-YJBOKZPZSA-N 428.993 4.559 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cc1OC 1519634048 DOCKFBGOJANALC-WGPYJDKQSA-N 444.325 4.850 30 10 IJEE CN(C)[C@@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1c(F)cccc1Cl 1522764925 HEAXFFCOWLWCCU-OAQYLSRUSA-N 427.932 4.998 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(I)ccc1F 1524186286 RWYYTFCDZAIMLM-UHFFFAOYSA-N 435.689 4.974 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1cncc(C)c1)c1ccc2c(c1)OCCO2 1524357364 DVQHEBWKSPAXEN-UHFFFAOYSA-N 444.531 4.892 30 10 IJEE COc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(OCCC(C)C)c1 1525639401 BMYCGHXQWQMNNF-UHFFFAOYSA-N 440.515 4.814 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)cc2C1=O 1525743461 PSQRNVPVZGKHDA-QGZVFWFLSA-N 442.437 4.507 30 10 IJEE C=CCC1(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)CCOCC1 1526271399 VAPLZLGRKTUFIE-KRWDZBQOSA-N 432.536 4.671 30 10 IJEE C=CCC1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)CCC1 1527548515 JAXXKQOGDZTYTE-FQEVSTJZSA-N 442.556 4.928 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 1528066418 RBMROUCQVCVFSS-LJQANCHMSA-N 443.341 4.709 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)Nc2ccc(CC#N)cc2)s1 1531329246 HIAFXSSUXUNQSC-UHFFFAOYSA-N 428.311 4.900 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cscc2C(F)F)c(C(=O)OCC)c1C 1532545334 NHUNECRIOQUNIJ-UHFFFAOYSA-N 429.466 4.827 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cc(F)c(Br)cc2C)CCCN1C(=O)OC(C)(C)C 1532808188 RVIFCUKLGWKWAL-FQEVSTJZSA-N 440.309 4.595 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(Cl)c(NC(=O)OC(C)(C)C)cc2OC)cc1 1533419423 MSNNHNXPAXCWOA-UHFFFAOYSA-N 444.915 4.638 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CCCN1C(=O)OC(C)(C)C 1534656242 GOQVMSPMOVNMFA-QHCPKHFHSA-N 436.499 4.874 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1535941041 BFMGXGVSWOHBIN-QINSGFPZSA-N 445.441 4.762 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C[C@@H]1CCCO1 1539055874 KKUVPBSYDAVVBR-IBGZPJMESA-N 445.405 4.825 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](CC(C)C)N(C)C 1539160761 AGDSZZYLEXBPCT-FQEVSTJZSA-N 439.604 4.858 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(CC)(CC)SC 1539162405 QMMORXYTPGAXQE-UHFFFAOYSA-N 439.398 4.838 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 1539688593 KEFQEMQTOTUNAC-SFHVURJKSA-N 449.393 4.544 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2ccc(Cl)nc2C1 1539690754 JBBSSRQVYHRWNS-UHFFFAOYSA-N 430.339 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1539902713 MHOCGBMIQQOUGF-IAGOWNOFSA-N 429.996 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1539911101 WQCXMEUJNNETCH-UHFFFAOYSA-N 449.624 4.961 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1539916191 HXFLLOXJFYJQTK-UNMCSNQZSA-N 442.579 4.709 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1539963050 JRCNFQJJRNTTRY-LJQANCHMSA-N 431.378 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCC1CCC(OC)CC1 1540142831 OXWFRCOEFLIRRP-UHFFFAOYSA-N 438.601 4.585 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@H](C)C1 1540180795 VFZQFYIKUMYLPE-IRLDBZIGSA-N 436.625 4.981 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)ccc2C#N)CC[C@H]1C(F)(F)F 1559282560 XITWLMMVHDESQH-KGLIPLIRSA-N 448.283 4.603 30 10 IJEE N#Cc1cc(C(=O)N(CCn2ccnc2)Cc2ccccc2Br)ccc1Cl 1568935798 GHLVKIWGGIGQHR-UHFFFAOYSA-N 443.732 4.513 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1)c1ccccc1 1584271769 SDXORUMPAWRBBP-AREMUKBSSA-N 448.607 4.829 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)cc21 1585546060 DJHJAMUGELCMSS-OALUTQOASA-N 446.551 4.643 30 10 IJEE O=C(CN1CCCCCCC1=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1585941384 FZMWXDLIJWADSJ-UHFFFAOYSA-N 428.348 4.707 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C1CC1 1587562234 MVDMLOJLYYNOQE-GBESFXJTSA-N 444.023 4.629 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccncc1Cl 1587598945 JHCDVUBEQKOTRP-SFHVURJKSA-N 437.975 4.925 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1587883814 NEOZRZKVHSKOQJ-DENIHFKCSA-N 436.581 4.607 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccnc1 1588266924 XQNCVUUYPXZURZ-LJQANCHMSA-N 437.975 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCCCC1=O 1589615968 XTBRKZAHGNTJOH-UHFFFAOYSA-N 429.996 4.794 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1593894714 DYYNDYWAPWUPIE-LPHOPBHVSA-N 441.790 4.650 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1594128781 WEEGDWILRNCGNA-GJZUVCINSA-N 437.632 4.832 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OCCC)nc2)CC1 1594134437 QOXKVKVSPAQRHY-IFMALSPDSA-N 439.604 4.585 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2oc3ccc(F)cc3c2C)CC1 1594193973 UFYOYYIDKPCNEW-QGZVFWFLSA-N 442.535 4.647 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1594247867 RYIMNRYXNYDRMF-UHFFFAOYSA-N 447.583 4.512 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1594456055 XMOZWQPPQHAVDF-UYAOXDASSA-N 427.637 4.527 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cccc(C)n1 1594997988 VSDLKPNDHRVHGE-UHFFFAOYSA-N 432.355 4.732 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1Cc1csc(COC)n1 1595133431 GYJSJOVEIGBTHN-UHFFFAOYSA-N 443.592 4.850 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)c2nccs2)C1 1595699393 CYVPTDXBJLRGCX-GOEBONIOSA-N 447.967 4.779 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCC2(C)C)C1 1595729428 MGPKWJIHDHIGFL-ZWKOTPCHSA-N 430.543 4.755 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 1596955203 YCYGVSGKUVDTBF-RBUKOAKNSA-N 435.738 4.742 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1617227049 IBELCZQTWXMGCZ-CJFMBICVSA-N 433.508 4.936 30 10 IJEE C#C[C@H](NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 1621368303 GGOSGPKGBLQVKM-AOMIVXANSA-N 431.363 4.764 30 10 IJEE CC[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1621881662 GIIPQOKDUHEKPN-UYAOXDASSA-N 433.371 4.668 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1621949346 LIOQBIYJDHMJBB-HNNXBMFYSA-N 432.395 4.739 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(Br)c(F)c1 1625147419 BQOBIIQKMMUYHI-UHFFFAOYSA-N 444.304 4.611 30 10 IJEE C=C[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1626096655 NKWHRWNAYDADJJ-PBHICJAKSA-N 428.248 4.587 30 10 IJEE C=CCCOCCCCC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)Cc2cc(F)ccc21 1626447640 CQQWOZUDQXUBTN-SFHVURJKSA-N 434.552 4.619 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(c4cccc(C(F)(F)F)c4)CCC3)n[nH]2)c1C 1628826394 HZLGQWUNZQWVKX-UHFFFAOYSA-N 443.473 4.904 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 1630484978 XIKGLAKGPQVCRM-YOEHRIQHSA-N 448.951 4.512 30 10 IJEE COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 1631744222 GZLVNSHAZMSDHJ-FOIQADDNSA-N 427.342 4.872 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 1633752315 VWSTXTYKOVFTBF-HNNXBMFYSA-N 438.471 4.544 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)cc(NC(=O)OC(C)(C)C)c1 1635630140 HGADPNQQMYUBEY-SFHVURJKSA-N 431.533 4.587 30 10 IJEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 1640005761 CBEZLGZOGFNNOJ-QHCPKHFHSA-N 425.532 4.740 30 10 IJEE C#CCN(C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1641795715 PLOFHVUZJLEOMQ-RTBURBONSA-N 438.724 4.734 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 1643425175 BZPBBTJGZBJCGJ-CYFREDJKSA-N 435.593 4.731 30 10 IJEE CC[C@@H](c1ccc(F)cc1F)N1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1644609439 GBTKTDLHFDGABV-NYHFZMIOSA-N 446.929 4.586 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1644868206 QOVWHBDBAOIJCG-DEOSSOPVSA-N 425.594 4.900 30 10 IJEE C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1ccccc1SCc1ccc(C#N)cc1 1645774803 GWYOWFZCDXFQFV-LJQANCHMSA-N 428.561 4.596 30 10 IJEE COc1cc(-c2noc(CN(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)n2)ccc1C 1646329473 BWPQMZRCUYKQFJ-HNNXBMFYSA-N 430.430 4.987 30 10 IJEE CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccc(F)cc1 1652975109 GBZSLZHNTXYXPQ-HSZRJFAPSA-N 434.515 4.793 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc1Cl 1661806259 BDNYZNBFYOUZPW-UHFFFAOYSA-N 428.863 4.631 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)CCOCC1 1667281027 VESCGBUWDMUHBM-UHFFFAOYSA-N 426.357 4.893 30 10 IJEE C=CCC1(NC(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)CCCC1 1674238342 WKGNPVGCJLCQEG-UHFFFAOYSA-N 433.552 4.837 30 10 IJEE C#CC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)C1 1675097301 PWJFQPHGUZLLBU-DENIHFKCSA-N 445.563 4.762 30 10 IJEE C#CC[C@H](NC(=O)N[C@H](COCCC)Cc1cccc(Br)c1)c1ccccc1 1680742898 CGVBFUZDBFJXHG-VXKWHMMOSA-N 443.385 4.851 30 10 IJEE C[C@@H](C#N)CNC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1681272593 CNPZVUVRRMRPHX-KPZWWZAWSA-N 438.728 4.984 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21)c1ccc(F)c(F)c1 1681552254 MVWGELSNPFUDCG-PGRDOPGGSA-N 428.479 4.788 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(F)c(Br)c1)c1ccc(Cl)cc1F 1682794558 XWUGSFCQENWMRP-KRWDZBQOSA-N 427.676 4.597 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCC2(CCCC2)C1 1690233463 HOOFAIMZIKXENR-UHFFFAOYSA-N 447.377 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1690237753 AHEVAXWTHBAUFF-HNAWSFBYSA-N 433.021 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC(F)(F)CO1 1690256640 QWKIZAALPWQADG-CRAIPNDOSA-N 440.922 4.898 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(SC)CC2)CC1 1690363838 CAYDPUNXBCQOMI-GOSISDBHSA-N 428.602 4.869 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](COC)OC)CC1 1690366136 RIESDVNDILRESF-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1OC)C1CC1 1690539636 HFKQKPULVXTKMA-VQIMIIECSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1690581106 KYKGKWCXUVRLKF-IRFCIJBXSA-N 429.634 4.504 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)CCC1CCOCC1 1690683144 CDOJQQHQQZKZCO-UHFFFAOYSA-N 426.605 4.733 30 10 IJEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)Cc1cccs1 1692673337 FQKLMUNCFSTELI-MSOLQXFVSA-N 435.597 4.761 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1693622868 HGVLNCDCKCVIHU-VEYWIMSWSA-N 441.645 4.668 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C(F)(F)F)cs2)[C@@H]1C 1693710001 HKSHZYZZHKCIBE-UONOGXRCSA-N 446.502 4.769 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1696174637 CBSSFDCGUZCWHA-UHFFFAOYSA-N 436.947 4.571 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(Br)c1 1705528214 YRJGSXKVFULFEJ-UHFFFAOYSA-N 444.764 4.806 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)CCC(C)C 1705541322 GANHROJNPKEPNR-NTKDMRAZSA-N 447.023 4.945 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCCN1CCCC[C@H]1C 1705625655 RRDCTUFXGXTCMP-OAQYLSRUSA-N 448.590 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC[C@@H]1C 1705695294 BKXZMVNMVTUHQD-SNJCGAMXSA-N 438.616 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C)C1 1705704667 XZYWHANJOOBNFZ-QKLQHJQFSA-N 445.405 4.925 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705723053 XENIQVOAZYJRDK-SFHVURJKSA-N 431.968 4.668 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705749493 YNAJUZHQZGDKMW-UKRRQHHQSA-N 426.779 4.677 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705757414 KPLUGLXKVBRNDX-UHFFFAOYSA-N 445.995 4.534 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@H](C)C1)c1ccccc1 1705796454 FLAWPYQYHOJLKE-WIYYLYMNSA-N 437.975 4.969 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(Cl)s1 1705799313 SFFSFFRSWUFGRF-UHFFFAOYSA-N 447.992 4.952 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1705803784 DGTXEYATRPVLEG-UHFFFAOYSA-N 432.572 4.697 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(C)=C(C)C1)C(C)C 1705866973 DMDHNOHLUUNDGG-DEOSSOPVSA-N 434.632 4.894 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC2CC(F)C2)cc1 1705909799 IITDVZGBZWMCSY-UHFFFAOYSA-N 441.938 4.791 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[C@](C)(CC)O2)C1 1705918143 DEEDABXRSDDBSF-PNCHPQGNSA-N 430.980 4.728 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)SC)C1 1705929881 ZQHUEBJTUHAZAC-GHTZIAJQSA-N 444.645 4.687 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC(C)(C)C1 1708233780 BJWKXNOUUXRCDR-ICSRJNTNSA-N 439.629 4.744 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722310766 OOYVGQPGLUNCFE-BJLQDIEVSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1722313242 RNTKHCHCPFXLER-HXUWFJFHSA-N 444.608 4.565 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1722412176 FRMMJRJCTXWLBO-DEOSSOPVSA-N 447.652 4.692 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](OC)[C@H](C)CC)CC1 1722579010 GJAFVENPNOJPFK-AUSIDOKSSA-N 426.605 4.937 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1CSC)c1ccccc1 1722598132 ZSNGTMQDYNTPDS-GGAORHGYSA-N 433.625 4.956 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1nnc(C(C)(C)C)s1 1722599016 SBOJVMJLOHNPFM-KRWDZBQOSA-N 432.638 4.552 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCO[C@H](C)C1 1722661832 BFXIACTYCMSQDR-AEFFLSMTSA-N 443.642 4.703 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CCc1nccc(C(F)(F)F)n1 1722673635 YNDRGJGQYGYZPN-UHFFFAOYSA-N 444.505 4.688 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1C(C)(C)C 1723793706 GRMBVYLAOWFGKX-GCJKJVERSA-N 449.624 4.965 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1728134794 BLBLAUNCXYCWSO-IBGZPJMESA-N 442.558 4.563 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1740678070 ZIYXQZFOYHVQEN-BDTNDASRSA-N 439.623 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1ncc(C)s1 1740731700 FWKKPZKKJOAEOM-IQMFZBJNSA-N 441.551 4.708 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1740790505 ZPRPYCGQHKVHEO-QFIPXVFZSA-N 435.572 4.544 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740849157 ZYIJUTAYYIAQMR-RTWAWAEBSA-N 428.552 4.839 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1740855762 OIONXBPCQXNHAS-BJKOFHAPSA-N 445.611 4.875 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1740869232 GIOXTOAZGSBHTB-UHFFFAOYSA-N 432.475 4.895 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(OC)ccc1Br 1740874726 XOSMKXSODNIAKV-LJQANCHMSA-N 449.393 4.893 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCc1nccs1 1749122179 SRHWHKKHCFIRID-IFMALSPDSA-N 437.613 4.624 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OCC)cc1 1749126294 ANOZYWSSLKPZLK-ZJSXRUAMSA-N 447.583 4.665 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@](C)(OC)C2CC2)CC1 1749329560 PAXWTEWNMIJZGQ-XDHUDOTRSA-N 428.552 4.775 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCCOC1 1749414476 DQDIUTHPSVVGQT-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749417680 LVKKGWRHUJJVEL-FQEVSTJZSA-N 438.616 4.983 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(F)c1F)C1CC1 1749527674 MYWZYFPTVUJLJX-WIYYLYMNSA-N 430.543 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1cccc(OC)c1 1749553761 VMAJQWRASHIRMG-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1749591242 OQUYXXBIHGZLCS-RDGATRHJSA-N 426.605 4.900 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](CCC)OC)C1 1749696908 YGHDTPKCVBZJKR-WOJBJXKFSA-N 444.645 4.872 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(CCC(C)C)C2CC2)c(C)o1 1751386164 DTHREBWZLYXZST-SANMLTNESA-N 447.583 4.949 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760134103 ZUMGZWZCEIADJN-AREMUKBSSA-N 431.584 4.938 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1760150020 AQMRTWAYPJNBCG-UHFFFAOYSA-N 446.395 4.688 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1Cc1ccnc(OC(F)F)c1 1760240707 ZPSXFNYWYAJLBC-MRXNPFEDSA-N 443.473 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1CCC(OC)CC1 1760290170 YCTUGBKIBVWRBR-LPLYSNAYSA-N 440.563 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC1(CCOC)CC1 1760291301 JRKJHJJVTSZECU-LJQANCHMSA-N 449.418 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760326435 XNJWTKJCFYDPCV-RBODFLQRSA-N 438.616 4.874 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1760343976 LJQWKIJIPHUACN-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760435151 ZGSYQNHTKAATMF-JOCHJYFZSA-N 436.556 4.945 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)C(C)C)C1CC1 1760469560 JSWYQZBBOZWOEG-OAQYLSRUSA-N 433.394 4.578 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCOc1cccc(Cl)c1)C1CC1 1760474639 BDZOTZUTMATKSJ-UHFFFAOYSA-N 429.977 4.521 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1CC[S@@](=O)C(C)(C)C 1760477776 KREFKGVGBSCHCP-WJOKGBTCSA-N 444.645 4.684 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCCCN1CC 1760480139 MHWXGCVZWSQANW-VWLOTQADSA-N 446.643 4.949 30 10 IJEE COc1ccc2c(c1)[C@H](c1cccc(Cl)c1)N(S(=O)(=O)c1ccccc1C#N)CC2 1857946391 MJOCMDUCQPFJKU-QHCPKHFHSA-N 438.936 4.557 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCC)c(OCC)c2)cc1OCC 1860728297 HUGJWAPCBNNPRK-FMIVXFBMSA-N 441.524 4.893 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1OC)c1ccccc1 1861057848 PPYSXITXXLTUDG-HSZRJFAPSA-N 426.557 4.652 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862411496 JENLSEXVBTWPND-FQEVSTJZSA-N 441.455 4.553 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1Cl 1862442483 FGQZCEOFJJGMRF-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862474713 SEWMBXJPKVBVQI-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 1862489622 DWVBXANLHCVKDY-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c(O)c1 1862557518 MJJHTNDPQDSCKN-JOCHJYFZSA-N 438.524 4.619 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862558470 XUHCKTBEISKCQV-DEOSSOPVSA-N 442.515 4.673 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(O)c2)cc1F 1862638990 OLESAVMOHUYGAV-BANJIEJESA-N 439.483 4.697 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862682638 QRIVLZZNPSRGTG-OAQYLSRUSA-N 437.467 4.523 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(O)c1 1862692731 SQVIZGVAPFEDTR-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(C)c2)c1 1862698589 KLXLHLHKZKXVGL-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714982 JDULUKCMKAKYFI-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1863509914 UOPWPOKVZHCEQP-UHFFFAOYSA-N 440.563 4.602 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1ccco1 1864476819 STUXJRWRLYPTSA-HXUWFJFHSA-N 428.577 4.620 30 10 IJEE CC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1cccc(C#N)c1 1867182954 IIRYVVJXMIGUKC-QFIPXVFZSA-N 444.535 4.721 30 10 IJEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2CCCCCC2)cc1=O 1870387184 TYNRPOWMCDNTOX-RUZDIDTESA-N 435.612 4.626 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871762508 DSFRAZOIVLVNGP-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(OC)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872330064 FDSGRBZIFUNCNO-WZONZLPQSA-N 444.597 4.542 30 10 IJEE CC[C@H](C)[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872768165 LIHDUVSWCMWQEA-ZRCAFCQKSA-N 443.528 4.697 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2ccc(OC)cc2)C1=O 1873371193 YVYMXHMOEFDCDL-UHFFFAOYSA-N 440.499 4.652 30 10 IJEE N#Cc1ccccc1Nc1[nH]c(=NCc2ccc(F)cc2)nc2c1cnn2-c1ccccc1 1873477687 UUKCRNUMLHPGKC-UHFFFAOYSA-N 435.466 4.604 30 10 IJEE O=c1cnnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc2cc[nH]c2c1 1873494863 GTFKPXPFYSAWTE-PGGKNCGUSA-N 430.320 4.601 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1/N=C/c1ccco1 1874289103 OSDRSGZRIJLHSD-ZVHZXABRSA-N 434.521 4.942 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874351693 FCXZPRJYXUSXDA-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c(O)c1 1874380976 VGCCSZSLNIBASP-WGOQTCKBSA-N 448.523 4.636 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccn1C 1874393927 XDBPAVRTBDLDQP-SYXCRGJESA-N 446.536 4.851 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccn2)c(C)c1 1874430047 QDNMUQOPQWXXCB-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1c(Cl)cccc1Cl 1874493290 FCBOHOCFYUKSCB-SSDVNMTOSA-N 440.400 4.695 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)NCc1ccco1 1874625032 IWGYPUSLKNYBHU-RUDMXATFSA-N 443.858 4.672 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OC)c2)cc1OC 1874694023 IKYPIWLTMYPNND-ACCUITESSA-N 448.471 4.593 30 10 IJEE COCCC(=O)Oc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC 1874711330 ZAKSJBLAFMWNNL-VQHVLOKHSA-N 426.509 4.974 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 1875084984 JSPBPAWYPQBPKG-MDWZMJQESA-N 447.443 4.656 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Br)c1OC(=O)COC 1875103287 RLCKVKJQTMWNNJ-DHZHZOJOSA-N 447.325 4.858 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(C#N)cc1 1890874922 JZMJXUXVJRQIBI-VQTJNVASSA-N 447.482 4.609 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Br)c(F)c3)cc21 1891283682 BWFOMTJBQXITPW-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CC(C#N)(Cc2c(Br)cccc2Br)C1 1960970926 UXOOCGXYKUIQNN-UHFFFAOYSA-N 430.140 4.515 30 10 IJEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2020325135 SNDPHQFIPNNSHV-FDDCHVKYSA-N 431.533 4.728 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 2045248349 ICPKYNCQAWWOQB-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE CC[C@@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(/C=N/O)c1I 2079016908 UWSRKOIQMKNMEY-VYXQJKENSA-N 439.297 4.577 30 10 IJEE Nc1c2c(nc3c(-c4cc(F)cc(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCSC2 2081492491 QSHKWALQOLQRLY-UHFFFAOYSA-N 436.356 4.945 30 10 IJEE C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C(C)(C)CN1C(=O)OC(C)(C)C 2118152036 XTNNJWCOOQEXSD-GFCCVEGCSA-N 426.330 4.684 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(c3ccc(C#N)c(Br)c3F)C[C@H]2C1 2174813041 RFTKHIFLSLKECC-HIFRSBDPSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](N)C#Cc1cccc(Cl)c1 2212467274 VBXMOXJDUKBLSL-FGZHOGPDSA-N 428.960 4.519 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(F)cc1Br 2225596249 PZVLPTBJIQHEBQ-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2235720073 HAOZMTLPXDFONJ-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 2235729790 NOSLOOWCLRCHQI-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237399121 QBDBXGLHBAIXMH-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE C#CC[C@@H](C)C[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237416610 ZPSDWIAGODNQLW-AHRSYUTCSA-N 437.422 4.913 30 10 IJEE C#CC[C@H](C[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237418264 JAVLLVYJLLVOCZ-AHRSYUTCSA-N 435.406 4.652 30 10 IJEE C=CC[C@]1(CO)CCCCN1C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2250431158 PLRHNIJEJPJIEM-RUZDIDTESA-N 430.589 4.524 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)c(F)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2270443420 IQUAKPHSPKEBPX-UHFFFAOYSA-N 447.732 4.537 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(CNC(=O)OC(C)(C)C)cs1 2278730192 LHMRHVMTFXNMTO-KRWDZBQOSA-N 435.387 4.848 30 10 IJEE CC1(C)OB(c2ccc(F)c(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 2282147520 OTTOPLCAYRZSGR-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C)OC(=O)N1CCCCN(c2c(Br)cccc2C#N)CC(F)(F)C1 2285182808 OXRJRURAVHVPKZ-UHFFFAOYSA-N 444.320 4.793 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1Cl 2296079427 NBPAWCJTGYKUEV-NRFANRHFSA-N 434.879 4.678 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@@H](N)C#Cc1ccc(Br)cc1)C1CCCC1 2296302776 NVVHKVDEDOACDD-QUCCMNQESA-N 435.406 4.849 30 10 IJEE CCCOc1cccc(C=Nn2c(C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)c1 2321106740 LPZZOHVNDNXCST-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE CCc1nc(NN=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)sc1C(=O)OC 2323854581 XXBMCIADGUHGEB-UHFFFAOYSA-N 439.537 4.834 30 10 IJEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323865136 LDUIBKARTPCEOM-UHFFFAOYSA-N 443.411 4.995 30 10 IJEE C=CCOc1cc(C)c2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324623653 PAHVXUILFUMABF-UHFFFAOYSA-N 429.266 4.805 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2325198333 KHXICZNKNXCZEL-UHFFFAOYSA-N 432.520 4.822 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325235170 GOWCBOIAKVXCHH-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cc(C)ccc1O 2325961385 YNWDMFWFZBPXBG-UHFFFAOYSA-N 443.370 4.806 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(O)c(O)c1 2326083899 HXKPRRLHITXWEZ-UHFFFAOYSA-N 444.944 4.515 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1OCC(C)C 2326816658 KPUXTAYOXXOOAH-UHFFFAOYSA-N 439.541 4.958 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327803116 OQRWVJIDIPQFEM-SFHVURJKSA-N 443.617 4.566 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)cc1 2328567792 ZZULNNFMHHMELX-UHFFFAOYSA-N 447.539 4.976 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)cc1 2328576980 MQXFESXLSQQKNM-UHFFFAOYSA-N 431.565 4.585 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2cccs2)c1C 2331112543 SPVWPJFSVKJOCU-UHFFFAOYSA-N 439.488 4.588 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(F)cc1F 2331429784 DBMXDPRLERXVCL-UHFFFAOYSA-N 447.486 4.507 30 10 IJEE CC(C)c1nnc(SCCCO)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331707321 OUJNIPXJSAMHIU-UHFFFAOYSA-N 444.988 4.991 30 10 IJEE C[C@@H](C1CC1)N(CCC#N)Cc1ccc(I)c(Br)c1 2349846310 XKQBRCNAOOIDFV-NSHDSACASA-N 433.131 4.568 30 10 IJEE C=CCN(CC[C@H](CCc1ccc(OC)cc1Br)NC)C(=O)OC(C)(C)C 2364853602 NWEVRCNDOMYGGR-KRWDZBQOSA-N 441.410 4.792 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O 9085637 HPJNJLVBNAYCAA-LSDHHAIUSA-N 427.957 4.594 30 10 IJEE C[C@@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 22464905 DMRTURBGWJGYTF-OAHLLOKOSA-N 444.512 4.523 30 10 IJEE N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)c3ccc(F)cc3F)c2)C1=O 34735413 MDOBZZRTTXXKHT-UHFFFAOYSA-N 446.457 4.921 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)c1 35513614 ZPZFGXDAXXMJFS-LJQANCHMSA-N 434.448 4.703 30 10 IJEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)c(OCC)c1 39913397 AQURXPPOKREUNN-FQEVSTJZSA-N 425.868 4.590 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc2C1=O 41358292 FLZJNSFZTVNBPN-IWIPYMOSSA-N 430.456 4.858 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 62887633 UMDLDFXDSKXXCD-UHFFFAOYSA-N 439.475 4.671 30 10 IJEE CCOc1cccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3)N(CC)C2=O)c1 101663246 DAMOGCXEZXMIAN-QAYQYMSWSA-N 431.945 4.719 30 10 IJEE CCOc1ccccc1N/C=C1/C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O 105285846 DMJNBXUGNPSWTC-JLPGSUDCSA-N 448.544 4.880 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(Cl)c1SC(F)F 110213940 PNHXAGACPNQAQC-UHFFFAOYSA-N 435.887 4.757 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCO2 169961471 AMXRLWRCJAECDN-QFIPXVFZSA-N 447.874 4.763 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccs2)cc1 169988722 RCIISWMKQFKPHV-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2F)cc1 170071428 WZAAXVKIJZOUKY-QHCPKHFHSA-N 442.446 4.879 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170076159 BXKDCJGFCCAISP-IIBYNOLFSA-N 436.895 4.579 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccco2)cc1Cl 170092044 KCSHEHUZHRFAAC-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(C)c1 170139577 HGOVOMWMHKESFB-HSZRJFAPSA-N 437.536 4.563 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccs2)cc1 170154710 UXFXZVMLVCUYHP-HXUWFJFHSA-N 429.538 4.542 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccc(O)c1 170262864 CCBSJQAYSIMFCY-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1ccccc1 170272036 UMPPPDLAOUUHEQ-HSZRJFAPSA-N 427.456 4.549 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1sccc1C 170312851 QGROHRCGDVPTJI-FQEVSTJZSA-N 443.565 4.722 30 10 IJEE Cc1ccc([C@@H](C#N)C(=O)c2cc(Br)ccc2I)cc1 235925018 SNSFFROINWZLOA-CQSZACIVSA-N 440.078 4.852 30 10 IJEE COc1ccc([C@@H](NCc2cccc(OCc3ccccc3C#N)c2)c2nccn2C)cc1 237338643 SSQIVJXYSBMRRM-AREMUKBSSA-N 438.531 4.759 30 10 IJEE CCN(CC)c1ccc(C=NNc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1 254525075 SWTVEVOYNCXIPG-UHFFFAOYSA-N 433.516 4.753 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 410393492 PLGJDIQNJMOABI-UHFFFAOYSA-N 445.479 4.751 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1=O 439466552 XSGABIVGQBOWDI-SFHVURJKSA-N 440.956 4.867 30 10 IJEE CN(C(=O)CSc1ccccc1C(=O)NCC1CCC(C#N)CC1)C1CCCCC1 441147060 LBIWIINGUFPIJV-UHFFFAOYSA-N 427.614 4.630 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 441199601 DCVNAELDIMBWFL-UZLBHIALSA-N 425.529 4.770 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Br)c2)n1C[C@@H]1CCCO1)C1CC1 460916931 HHDZWNQIYCXIIX-KXBFYZLASA-N 447.377 4.514 30 10 IJEE COC(=O)[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)cc(Cl)c1 469320021 SGALBICIBXGGPV-NRFANRHFSA-N 446.334 4.903 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 476795309 KEZUZAIOXVZFHR-UHFFFAOYSA-N 438.549 4.862 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2cccc(C)c2)n1)c1nc(C(=O)OCC)cs1 501956208 JSAFEPXBCFYIMP-UHFFFAOYSA-N 427.551 4.513 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(OCC(C)C)CC1 508488473 JLEMERIEACGDEX-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 508683715 RVWGIWYJLGHDLF-CVEARBPZSA-N 437.371 4.603 30 10 IJEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(c2ncc(C)s2)CC1 508953547 UUMBSGXOWOZADS-UHFFFAOYSA-N 434.613 4.566 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccn2)cc1OCC 526521144 KYIFKCYECNSENE-XMMPIXPASA-N 441.487 4.808 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 531870212 WWUGVWBKTDIWLR-OAHLLOKOSA-N 427.463 4.854 30 10 IJEE C[C@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@H](c2ccccc2)O1 557458016 PQVHEANCLUYWTK-FDDCHVKYSA-N 437.971 4.807 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](c2cccs2)C1 576961488 VOQFKXWAWWTBQJ-SFHVURJKSA-N 442.610 4.795 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2)cc1OC 619818483 PPELRPLXXODOPO-SANMLTNESA-N 445.567 4.921 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 689353036 XWLKSDBOOTYECY-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE COc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(c2nc3ccccc3s2)CC1 727296246 UAYIXQOZNDEHAT-UHFFFAOYSA-N 427.913 4.652 30 10 IJEE C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(N2CCCC2=O)cc1 734321484 YYZXPPVGELTGFS-LJQANCHMSA-N 439.515 4.755 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(COC(=O)Cc2cccc(C#N)c2)cs1 750434399 UVUJKMOZRJEWKS-UHFFFAOYSA-N 425.897 4.639 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(C#N)cc3F)cc2OC)o1 781108896 UTTAAQIZTZTMJQ-YWEYNIOJSA-N 435.407 4.561 30 10 IJEE C=CCn1c(SC[C@@H](O)c2ccc(F)cn2)nc2sc(-c3ccccc3)cc2c1=O 799607549 NOPXGJLEVSWWTD-GOSISDBHSA-N 439.537 4.671 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1ccsc1 812177579 JPBPSFZBOMETGH-FQEVSTJZSA-N 437.569 4.684 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 918555025 DDDNCVHPKAAHHU-UHFFFAOYSA-N 445.441 4.788 30 10 IJEE CCN(CC)c1ccc(C=NNc2nc(SCc3nc4ccc(C)cc4[nH]3)n[nH]2)cc1 1083933214 MBVQZSUPLGYWOG-UHFFFAOYSA-N 434.573 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1124979935 VIEZBJBSSILPSE-VWPQPMDRSA-N 431.001 4.598 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc3oc(C(=O)OC)cc3c2)CCCN1C(=O)OC(C)(C)C 1125042315 BQVVPBXTRCUMSX-HSZRJFAPSA-N 428.485 4.504 30 10 IJEE COC(=O)c1cccc(OC)c1N(C)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1128177286 BTGUHELYJXXLPC-UHFFFAOYSA-N 430.460 4.731 30 10 IJEE Cc1cc(-n2cc(COC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)nn2)ccc1F 1128464054 HTMVANGXULQZFS-UHFFFAOYSA-N 442.450 4.930 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 1128907339 IVGHVCHWXNBKPK-UHFFFAOYSA-N 439.510 4.635 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C(F)(F)F)cc1 1128970731 MPCATQMQUVBEFO-UQNNOOFXSA-N 441.449 4.767 30 10 IJEE CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(c2ccsc2C#N)CC1 1131128406 HXDJWLFSAGEZNX-UHFFFAOYSA-N 438.380 4.680 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC(C)(C)c3ccc4ccccc4c3)ccc2c1=O 1149986098 RELINTQUXPUUOM-UHFFFAOYSA-N 429.545 4.690 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 1154708676 UEKBMWPVHBMEKJ-DEOSSOPVSA-N 435.470 4.574 30 10 IJEE C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 1162147298 IBTGYYPAERABAE-WMZOPIPTSA-N 438.499 4.930 30 10 IJEE C=CCOc1c(Cl)cc(CNC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1OC 1178628691 ACGZDAISKAFRAF-UHFFFAOYSA-N 432.914 4.808 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc1 1208329735 CLVJNNHQUUVNHX-FCHUYYIVSA-N 437.540 4.954 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(Cl)cc1F 1211070180 VPPLBVAGSRLDQL-NHCUHLMSSA-N 434.342 4.943 30 10 IJEE COCCN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1CCOCC1 1214721339 CYFRMJAQCUVLAJ-OAQYLSRUSA-N 427.932 4.655 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C(=O)NCCc1ccccc1 1214868436 FUBMGHCUMJIIIB-LJQANCHMSA-N 442.519 4.528 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)cc1 1219228898 FENQYFQLNOGEOH-UHFFFAOYSA-N 431.418 4.685 30 10 IJEE C=CCC[C@H](NC(=O)NC1CCN(CCCOC)CC1)c1ccc(C(F)(F)F)cc1 1221647812 ZICGWWRZEKXYQB-FQEVSTJZSA-N 427.511 4.513 30 10 IJEE C#CCN(C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1225807216 MHGZNWFEPUDRGP-DEOSSOPVSA-N 447.579 4.934 30 10 IJEE C=CCn1cc(CNC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)nn1 1252077036 QABBUQMEJIIZQH-UHFFFAOYSA-N 445.445 4.617 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1)c1ccccc1 1254755578 RUMYDSSXCKLOOD-LJQANCHMSA-N 427.570 4.916 30 10 IJEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286409766 SYLUHIXUAQCYQS-IAGOWNOFSA-N 425.458 4.793 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1CCCCC1 1286455220 SVWPMLZVFKKSQF-UHFFFAOYSA-N 449.574 4.890 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1286537966 GZSXEBUCFXVNFJ-JKSUJKDBSA-N 436.423 4.668 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1286612409 DMWAKMHAUHTREL-NYVOZVTQSA-N 428.552 4.604 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@@H]2C)CC1 1286654188 BWKPUONUQFSQIB-OALUTQOASA-N 444.023 4.958 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCCC2(C)C)CC1 1286656218 RFFKURGWDCUNSY-DEOSSOPVSA-N 445.007 4.951 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286671195 ULJFKQFJRDSJCJ-MRXNPFEDSA-N 447.008 4.574 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1286678832 FQXULKLHFQCTNO-HSZRJFAPSA-N 447.583 4.535 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286690474 RMSWGZRHKYYWCU-CYBMUJFWSA-N 426.405 4.807 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1286702843 YCCKGPZNZVAMOD-QFIPXVFZSA-N 436.648 4.711 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286705742 HINQBGXSGOHHHZ-DCLXLUIPSA-N 442.629 4.618 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCSCC(F)(F)F)C1 1286803786 KBTBFIHSFPDNBO-INIZCTEOSA-N 446.926 4.675 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccc(C)cc1)CC(F)(F)F 1293975210 MTMHBQQHSYZSIH-QGZVFWFLSA-N 448.913 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC(C)(F)F 1300282773 QBMNJHSHWDBRNY-LLVKDONJSA-N 431.712 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCn1ccnc1C 1300788147 SDRQKPKCKHEYCX-QFQXNSOFSA-N 446.599 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCCCOC 1300816903 XQOKJRYHIOHOAY-OAQYLSRUSA-N 437.371 4.583 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)CN2CCCCC2)CC1 1301067028 WLDJWWOGSVWYKZ-RTWAWAEBSA-N 441.595 4.836 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCNC(=O)C(C)C 1301279936 BARLNLJZSLHUMG-UHFFFAOYSA-N 441.576 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[S@](=O)C(C)(C)C 1301280112 CXSUDVYNNUEJQJ-PMERELPUSA-N 446.617 4.982 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1301308495 FEBLNSLSIBWDFK-TZIWHRDSSA-N 437.588 4.581 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1301316228 IQBREVCKUBAGIX-CABCVRRESA-N 449.368 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCc1ccc(OC)cc1 1301359907 RIOISBRJOHJPBO-UHFFFAOYSA-N 433.581 4.789 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)c(Cl)c1 1304270170 DEHFSUVZRMBBEH-UHFFFAOYSA-N 446.862 4.653 30 10 IJEE C=CCn1c(SCC(=C)C(=O)OCC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1307253022 UOQMZODSICFRPQ-UHFFFAOYSA-N 444.553 4.970 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1ccc(I)cc1Cl 1308382003 UPEHTADCDHDZPM-UHFFFAOYSA-N 446.115 4.900 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cccc(Br)c2)c1 1309145071 LBVUCWLTFAXVLA-UHFFFAOYSA-N 432.364 4.887 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 1309640088 XVHTZNAHMHHURE-FGZHOGPDSA-N 427.566 4.654 30 10 IJEE C#CCN(C(=O)Nc1ccc2oc(C)c(C)c2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1310579003 DUNBCNXYIDVEHV-UHFFFAOYSA-N 425.529 4.916 30 10 IJEE O=C(O)c1cccc(COc2cccc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)c2)c1 1322627519 KFNBGOAVHOBBNQ-VQHVLOKHSA-N 443.377 4.979 30 10 IJEE C=CC[C@@]1(C(=O)NCC2(N3CCCCC3)CCCCC2)CCCN1C(=O)OC(C)(C)C 1349459315 KHTTUIYIHYPTEN-VWLOTQADSA-N 433.637 4.637 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccc(Br)s2)CCCN1C(=O)OC(C)(C)C 1350423906 UEXGWLPFUGIEAU-IBGZPJMESA-N 443.407 4.815 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 1350766397 YPMVVGHUDSZLOA-DEOSSOPVSA-N 429.472 4.585 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C(/C)c2ccccc2OC)c(C(=O)OCC)c1C 1352311129 DVCGYSRRWPBTMH-YPKPFQOOSA-N 443.521 4.627 30 10 IJEE Cc1nnnn1-c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c(F)c1 1355563930 BNYHEJJVYVDHJG-UHFFFAOYSA-N 448.845 4.680 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 1357381511 NUTCXRDDPPBOEN-OTPAQWSUSA-N 434.580 4.692 30 10 IJEE N#Cc1cccc(C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)n1 1358142992 HDLUCMKRKXWZRP-UHFFFAOYSA-N 433.336 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1358882161 UOPVBJAGUSSYJY-FJIJXJHWSA-N 438.616 4.889 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)S[C@H](C)C1 1358907041 AWVLVYJQMZMZLQ-OKILXGFUSA-N 439.448 4.903 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCN1CCCC 1359015996 LOPBSLDFPGDIQN-QHCPKHFHSA-N 448.590 4.707 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC1(C)C 1359067662 WYBZOEAIOFLDND-LHSJRXKWSA-N 431.353 4.885 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1359076638 HUBQMHNNGGYQGE-KXBFYZLASA-N 433.394 4.841 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CC1CCCCC1 1359103517 PERLLFQTGFDYCV-RDGATRHJSA-N 438.616 4.897 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1359146143 OICOSVCVETXRCP-ZWKOTPCHSA-N 449.430 4.837 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2nccs2)CC1 1359158955 JDXWXRYLZASJIE-QGZVFWFLSA-N 427.549 4.803 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccncc2Cl)CC1 1359168281 NWWVZWADOKISPS-UHFFFAOYSA-N 430.339 4.764 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359212560 PKNFUWLYNXMTIJ-RBUKOAKNSA-N 431.378 4.822 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H](OC)C(C)(C)C 1359255947 PGLMPNRCHSKGCR-JOCHJYFZSA-N 433.556 4.972 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1359265671 KFQRHLNLLAPZMU-FFHOAYQKSA-N 427.637 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1359269021 LWJZBHNTWFPLCJ-SFHVURJKSA-N 425.577 4.593 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1CC[C@H](F)C1 1359277530 OOGFECYWCZMLNU-ICSRJNTNSA-N 426.511 4.974 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(I)cc1Cl 1434956026 ZYUKTZKGUTUCQX-UHFFFAOYSA-N 425.697 4.816 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc21 1439760011 PAGSOXIZMLQHGP-UHFFFAOYSA-N 425.901 4.657 30 10 IJEE C[C@H]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CN1Cc1ccccc1 1445780593 BBPZAQBGUFCUHL-CPJSRVTESA-N 425.532 4.530 30 10 IJEE C=CCOc1ccc(CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)cc1 1459931752 TURTUMNKSWLRSX-UHFFFAOYSA-N 431.261 4.738 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCCN1C(=O)OC(C)(C)C 1462228645 FNTHUBYTTBTULJ-ATIYNZHBSA-N 441.616 4.503 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1ccccc1 1463273286 VAWAVQBDQBESCI-LJAQVGFWSA-N 428.535 4.584 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C 1464392642 SFFXDCVVRLXKRD-KRWDZBQOSA-N 427.520 4.767 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc(OC)c1OC 1464555071 AYMHLDNOYYRNOY-UHFFFAOYSA-N 442.515 4.813 30 10 IJEE C#CCN(C(=O)N[C@H](CC)c1ccccc1OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1468418538 ARKBCHYNTWXZCC-OAQYLSRUSA-N 443.588 4.581 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)nc2ccccc21 1472916274 BQNDGSBLFQAKPN-MRXNPFEDSA-N 429.973 4.894 30 10 IJEE Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccc(C#N)cc3)nc3ccccc3c2=O)c1 1472933030 ALXQMBUKBMGJOI-UHFFFAOYSA-N 440.528 4.605 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 1475973622 ONPGKRZOJKKQKE-HXUWFJFHSA-N 435.977 4.665 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CC1(OC)CCC(C)CC1 1504380006 ASGVZJSXPIKTJR-UHFFFAOYSA-N 437.588 4.679 30 10 IJEE N#CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccccc2C(F)(F)F)CC1 1505320128 DORWOCBBXDLZHE-LJQANCHMSA-N 433.478 4.521 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507542573 LQTBVJXHMHJICO-IMSXRSKXSA-N 438.616 4.773 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1507591734 RQXMYRWJMMXRET-QFIPXVFZSA-N 434.609 4.838 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)C1CC1 1507699922 LAZOUPTXQNJGPH-IBGZPJMESA-N 429.609 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)C1 1507797660 SJCRYOZTXCNFGO-FTRWYGJKSA-N 449.020 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OCCC(C)C)CC1 1507800624 WTXXEPCCHRGXMZ-PMVMPFDFSA-N 446.636 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1507923494 WVPGZKWEZPRTPR-QHCPKHFHSA-N 431.584 4.914 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C)=C(C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1507927724 BXKKIBYKNDWGSM-ZEQKJWHPSA-N 436.600 4.837 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1507988122 PPDMNKXAQQMONH-WOJBJXKFSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(CC)C1 1508009627 UTCCGOHXIIZFMQ-GOSISDBHSA-N 425.577 4.680 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C1CC(C(C)(C)C)C1 1508024837 LYEUKNPAJSCYFW-UHFFFAOYSA-N 435.616 4.633 30 10 IJEE C=CCOc1ccc(Cn2c(Nc3cnn([C@H]4CC4(F)F)c3)nnc2[C@@H](C)CC)cc1 1508103487 DORWKBUGDMLTHV-KXBFYZLASA-N 428.487 4.925 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(F)c(I)c2)C(F)(F)F)cc1 1521343417 CUGVEPMEUVYHSX-HNNXBMFYSA-N 448.153 4.872 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 1524836558 XAABYXRSCWNJFG-KUHDOKTFSA-N 438.593 4.638 30 10 IJEE C#C[C@H](NC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1525054535 OFYXSGADYIHQCF-LPHOPBHVSA-N 449.389 4.667 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccccc1 1529728448 KHUHIHRJXUPPRV-NRFANRHFSA-N 433.305 4.806 30 10 IJEE C#CCOc1ccccc1CNC(=O)C1(c2ccc(Br)cc2)CCCCC1 1531606297 CXDYTEACOFMGHR-UHFFFAOYSA-N 426.354 4.979 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 1532324925 LTPJCRBKYXPCQW-DNVFCKCGSA-N 438.593 4.691 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CC1 1536479504 FKKCNOKRGJDIKF-OAQYLSRUSA-N 442.556 4.928 30 10 IJEE C=CCOc1ccccc1CNC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1538215327 QITDTFLWJCKUPW-UHFFFAOYSA-N 433.348 4.984 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1csc(C(C)C)n1 1539002869 JGNMJSZLUJOIRR-QGZVFWFLSA-N 446.580 4.881 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1539096004 OTXWDBIWMSLOGZ-XLIONFOSSA-N 435.597 4.794 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCSC1(C)C 1539194639 CWHDPLVYXBMGNA-AWEZNQCLSA-N 439.412 4.765 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@H]2CCCO2)CC1 1539497421 LUUFSCXYNDOVIJ-XZOQPEGZSA-N 438.641 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](CC)c1ccccc1 1539541886 OINCLEVBVROYEO-BYXVTNLJSA-N 436.600 4.505 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539585926 DAGLRMQCKWKHMD-WBVHZDCISA-N 437.769 4.512 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@H]1CC 1539948035 SFEYKOPQYXXFQA-YLJYHZDGSA-N 429.996 4.843 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1539953245 PSJCOCWYGFBFAY-GJZGRUSLSA-N 438.439 4.733 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1540039959 LAEYZOJGHPORNO-UHFFFAOYSA-N 445.592 4.688 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cccnc1OC1CCCC1 1540086975 JZPPEECAYBQKCI-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1540126217 HGTPYEGQCUNBEI-NRFANRHFSA-N 437.588 4.748 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1OC 1540136932 MYGCNOLPAIHDFB-REWPJTCUSA-N 435.547 4.795 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cn2ccsc2n1 1540155650 ZTIOUKZSXHEHRN-IBGZPJMESA-N 448.596 4.971 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1occc1C 1540189178 KDCFAHGQUKAMQY-UHFFFAOYSA-N 445.567 4.941 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC=CO2)C1 1540884386 OMQHJAXCPSZZCS-IOMROCGXSA-N 444.963 4.546 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1Cc1ccc(Cl)cc1F 1541513093 HOIHMLQQBFDYHH-UHFFFAOYSA-N 428.943 4.891 30 10 IJEE C#Cc1ccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)cc1 1544038078 ARPDXSRXCKMAIK-UHFFFAOYSA-N 434.421 4.593 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S[C@@H](C)CC)cc2C)s1 1544475684 YYDALFBANUHOHJ-HNNXBMFYSA-N 438.640 4.593 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(C)c(Br)s1 1546226141 GFAPGEJUOJRMET-UHFFFAOYSA-N 448.155 4.944 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 1556476298 UQKOEOOPSQGDTI-VQTJNVASSA-N 429.948 4.632 30 10 IJEE C=CC[C@@H](C)Sc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccccc1Cl 1559318098 ARBKPJOQNAZLNS-CQSZACIVSA-N 428.941 4.942 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccc(F)cc1 1559330328 VTMNBNVUCNRYAN-SFHVURJKSA-N 431.920 4.800 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1nc(Sc2ccc(OC)cc2)ns1 1562895799 SBZRGQNFNUVLEL-UHFFFAOYSA-N 428.539 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC(O)(CCC)CCC 1587586865 UUARSUDPUPLVRY-AWEZNQCLSA-N 439.423 4.558 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1593757413 CYSDMQAHNBEGGS-MRXNPFEDSA-N 432.540 4.999 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1593852332 PTJRXWRMAXZWBZ-BAGYTPMASA-N 445.007 4.984 30 10 IJEE C=CC[C@@H](Cn1c(N2CCO[C@H](c3nccs3)C2)nnc1C(C)(C)C)c1ccccc1 1594552137 HYHXSBQPXSQCLV-PMACEKPBSA-N 437.613 4.970 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@@H]1CCCN(C(C)C)C1 1595075389 CVQXEEPFRMYVAW-JOCHJYFZSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1Cc1sccc1C 1595100870 WHMBQEWBMUOYMF-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H](OC)C(C)(C)C 1595162068 UXHZHKUIWFDQAK-FQEVSTJZSA-N 425.602 4.579 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC2(C)C)C1 1595744568 MUTMEANQMXAPJZ-RBBKRZOGSA-N 438.616 4.982 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1CCN(Cc2ccccc2)CC1 1596886264 HKYPPJMYEGDDFF-UHFFFAOYSA-N 429.358 4.865 30 10 IJEE CC1CCN(CCCn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CC1 1612869583 DLKJAIZHIKWLJM-UHFFFAOYSA-N 446.643 4.863 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N/c1ccc(C(=O)O)cc1 1614234682 YKOVCEDDZVGSKZ-TWGQILOBSA-N 438.505 4.582 30 10 IJEE Cc1oc(NC(=O)[C@@H](C)N2CCC(c3ccccc3Br)CC2)c(C#N)c1C 1617316635 CLHRZMJNJVOSFX-CQSZACIVSA-N 430.346 4.737 30 10 IJEE C=C(C)C(C)(C)C(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1617382810 OPACWLDCTVVMCA-RBUKOAKNSA-N 428.573 4.745 30 10 IJEE C=CC1(CC(=O)Nc2cc(-c3cncc(F)c3)ccc2C)CN(C(=O)OC(C)(C)C)C1 1617386904 COIIXHTZQWPDBL-UHFFFAOYSA-N 425.504 4.948 30 10 IJEE Cc1cc(C(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)nn1-c1cccc(C#N)c1 1617995562 DUIFOKHKDMNBDP-UHFFFAOYSA-N 431.496 4.676 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)c1ccc(F)cc1 1622167602 IZBBVHZKEHOWGO-CQSZACIVSA-N 437.117 4.548 30 10 IJEE Cc1cc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)ccc1C#N 1622369273 GXZQHYRBIPAZIQ-OAQYLSRUSA-N 428.966 4.918 30 10 IJEE C#Cc1cccc(NC(=O)NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)c1 1622737673 LPILZXQIFJZTSB-UHFFFAOYSA-N 430.504 4.628 30 10 IJEE Cc1ccc(C2=NO[C@H](CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)C2)cc1C 1622866693 GIAYDKCHVKFGEY-QFIPXVFZSA-N 441.491 4.677 30 10 IJEE C=CC(C)(C)CNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1624005841 OOXYSKKMOJYXRX-UHFFFAOYSA-N 427.353 4.736 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)CCC#N 1625356100 CDDPLRXFHAICIB-XMMPIXPASA-N 431.536 4.622 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccccc1 1627435840 QWBNIXPXPYLQTK-YTTGMZPUSA-N 446.507 4.927 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1628309537 KWDSPJZEKAPPFQ-AWEZNQCLSA-N 437.359 4.791 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2SCC(F)(F)F)c1 1629086522 YQCQAMNILPAFIR-UHFFFAOYSA-N 441.496 4.699 30 10 IJEE C=CCCONC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 1630748875 ZGEXUXRFPHPKSM-UHFFFAOYSA-N 428.492 4.642 30 10 IJEE Cc1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1NC(=O)c1ccc(Br)cc1 1632699817 HSPSKUBGFZZKLZ-MRXNPFEDSA-N 440.341 4.776 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(Cl)cc1F 1636570818 OANAAGMLXVYVOT-UXHICEINSA-N 428.891 4.526 30 10 IJEE CC(C)(CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc2ccccc2c1 1637439955 FSLBLMQEIONIGX-VWLOTQADSA-N 426.564 4.537 30 10 IJEE C#CCOc1ccccc1NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O 1641473108 FBXGYTUDPQCMTA-UHFFFAOYSA-N 436.682 4.802 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCc3c(F)cccc32)n(Cc2ccc(F)cc2)c1C 1653507120 DDVKRXJZGSSWBR-UHFFFAOYSA-N 434.490 4.694 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCN(c2cccc(Cl)c2C)CC1 1654437877 RCDMJISRHANTHG-LJQANCHMSA-N 432.033 4.825 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(Cl)c1 1660105387 AWBCQAYZCSHYIH-KRWDZBQOSA-N 447.944 4.830 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)Cc1cc(F)ccc1Br)c1ccc(F)c(F)c1 1661498932 KFYAWYDRVAUPQH-KRWDZBQOSA-N 434.277 4.603 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 1670774777 DCUYMLWUOIFSGO-TZIWHRDSSA-N 436.474 4.794 30 10 IJEE Cc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc(Br)c1F 1671589423 FJOYFGHRZBZHPQ-UHFFFAOYSA-N 432.293 4.844 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)c1ccc(F)c(F)c1 1675237655 BKBHGGQUAZBCBR-DHIUTWEWSA-N 429.511 4.727 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccccn1 1689828431 NYRHXZXREHDUFC-OALUTQOASA-N 437.975 4.784 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(N(C)C)c1 1689835220 IPULSSRAUCQCID-SFHVURJKSA-N 433.625 4.848 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1689934297 PPIILDLQTGEPSG-OAQYLSRUSA-N 439.673 4.825 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCC[C@H]1C 1690065280 RIXSVBHSZROMMC-MZNJEOGPSA-N 438.572 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)CCC(C)C 1690198194 GQCPNPXJROHXIS-DHIUTWEWSA-N 432.971 4.917 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2ccc(Cl)nc2C1 1690352931 UATJSERGKAEVJR-UHFFFAOYSA-N 444.366 4.838 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1690408703 UAEZAQUZAAZQJD-UHFFFAOYSA-N 446.599 4.719 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCn1cc(Cl)cn1 1690515357 LCIPDEJKOQDCSM-INIZCTEOSA-N 449.386 4.861 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 1690537966 YVHUEWUSBLDCEJ-ABSDTBQOSA-N 430.980 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 1690573804 DWQLVGTWJHUTBE-LJQANCHMSA-N 439.541 4.677 30 10 IJEE C=CCSCCn1c(COCC)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 1690751088 VRXFJXACSYDCRK-QGZVFWFLSA-N 443.642 4.728 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[C@@H]2CCCCO2)c1 1698485752 BZMXWMSKMBWMNR-IBGZPJMESA-N 433.478 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCC1CCOCC1 1705478285 YZMBTIFOJVHHJP-ROUUACIJSA-N 430.980 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccco1)N(CC)CC 1705486155 YAEVMFKEAZAKJZ-CVDCTZTESA-N 442.567 4.627 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCOC1CCCCC1 1705545874 REUNIDRWZGFDHW-UHFFFAOYSA-N 437.407 4.578 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)CC#N 1705653429 HCTJMERGKFUMKI-CQSZACIVSA-N 430.002 4.918 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccco1 1705682640 HANGSRLUFACTTM-UHFFFAOYSA-N 425.689 4.876 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1705728473 LYSCFMPHGAZIQM-LZLYRXPVSA-N 448.637 4.606 30 10 IJEE C=C(C)Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705729634 KTLMEPFATYVYPB-UWUNEBHHSA-N 447.530 4.540 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1705739606 LQQXODCXETWBED-WOJBJXKFSA-N 426.605 4.840 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2cccc(C)n2)C1 1705920382 WJRMEVKDOBRQQX-XMMPIXPASA-N 445.611 4.970 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705949066 NJTKQICNFWAUJE-FCHUYYIVSA-N 442.629 4.541 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1706072316 BOUUAVAOQSSKAB-KGVIQGDOSA-N 434.588 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N1CCC[C@H](C)C1 1722470536 HBRMIADTQJIXRD-XLNZFTOWSA-N 426.008 4.711 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1722597884 XEBYHZURDXNMMH-DEOSSOPVSA-N 435.616 4.648 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1cn2ccc(C)cc2n1 1722653364 ZFVBQDJRAJTFTF-UHFFFAOYSA-N 444.583 4.781 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(C)(C)CC1)C(C)C 1722665164 KWHUSOXPUDFZGB-QHCPKHFHSA-N 436.648 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCCn1nc(C)cc1C 1722666238 MAAGNAYPDCBZSH-UHFFFAOYSA-N 427.556 4.575 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO[C@@H]1C(C)C 1722677043 RIAQTTYLJHCLDT-ZJSXRUAMSA-N 449.599 4.928 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCCC(F)(F)C2)C1 1722716326 UGYUCXPJYHAHRY-RTBURBONSA-N 446.542 4.951 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1 1723764285 BFXRNKRRIJFVAR-IBGZPJMESA-N 434.613 4.952 30 10 IJEE C#CCCCCn1c(Nc2cnn(C)c2)nnc1[C@@H](C)Oc1c(C)cc(Cl)cc1C 1740579432 SBWLSIBXXCPSHX-QGZVFWFLSA-N 426.952 4.969 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)c1cccs1 1740768221 HJCPIOJWGIRPJT-DEOSSOPVSA-N 448.596 4.707 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1740843271 CUPJSJHNWLVNEA-TZIWHRDSSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1740857547 QIUDYGNKNPHCAK-INIZCTEOSA-N 440.498 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1cccc(C)c1 1740920814 WIGNFTQVTNBRSY-FQEVSTJZSA-N 449.624 4.880 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1740944912 QRZRYLOXDRBLKS-TZIWHRDSSA-N 437.632 4.950 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC=C(C)C)C1 1740973633 AUYXMKRILTWNON-QGZVFWFLSA-N 449.368 4.984 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCCC2)C1 1741490954 ICUUVDKSSLJUKC-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H]2C[C@H]1CO2 1748702606 NFHAUHCDISIREU-HOTGVXAUSA-N 449.780 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CC[C@@H](F)C1 1748889479 LNDCPVSWZRFSPQ-FYYLOGMGSA-N 436.575 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(C)CCCS1 1749058954 SRYQJMUSDICSRX-NHCUHLMSSA-N 445.430 4.985 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCOC2(CCCCCC2)C1 1749221055 XLQYVUAWAGINQI-UHFFFAOYSA-N 428.552 4.607 30 10 IJEE C=C(Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 1749244464 OOXNIEAIHRAGKE-LJQANCHMSA-N 448.489 4.581 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1749358791 QKOVPGXQUCSXLC-PGRDOPGGSA-N 432.572 4.934 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1749385475 RFISUQWTVOXUNV-ATIYNZHBSA-N 431.584 4.629 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@H](CC)C1 1749444768 DXOIATNYTOPIDD-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccccc1 1749550598 DCUSAARXMUMRAQ-DEOSSOPVSA-N 431.565 4.502 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2cc(F)cc(C)c2C1)C(C)C 1749557331 HNTPIAYTELNKRW-QHCPKHFHSA-N 425.596 4.549 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1C[C@@H](C)OC(C)(C)C1)C(C)C 1749557955 PIUGXNKGPROOTE-IRLDBZIGSA-N 429.653 4.638 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC(C)(C)C1 1750888532 BEUABRMJFLXCGP-UHFFFAOYSA-N 446.599 4.947 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc(C(C)C)cs1 1760223100 KMEFWWKEVVKSFI-UHFFFAOYSA-N 447.608 4.565 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](C)(C#N)C1 1760324617 LQUVTLOXNMCUGY-LJGDZFJRSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760330389 BACQZQJZFGTVJV-RTBURBONSA-N 432.012 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1760335159 LSSVFBHVDIXACS-KNQAVFIVSA-N 442.629 4.894 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1760342649 JAMCIUWQAMFGRP-UHFFFAOYSA-N 434.384 4.851 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760376106 FKLNSKRAHKSLHA-HNAYVOBHSA-N 432.952 4.788 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](COC)OC)CC1 1760382284 NDQYQUOIRMPBGV-QUCCMNQESA-N 448.995 4.506 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2sc(C)nc2C)CC1 1760382491 REJJJVDWEZXGCK-INIZCTEOSA-N 427.549 4.835 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@](C)(O)C(C)C)CC1 1760396406 CQQACLDRDDWYIU-KBMIEXCESA-N 442.604 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCN2CCCCC2)CC1 1760399180 CFELPIQPVXJFNT-UHFFFAOYSA-N 432.616 4.875 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760408140 CWKQQGQUFBRPEV-QUCCMNQESA-N 442.604 4.550 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccsc1 1760419620 XSLUDWSAQQIFAS-UHFFFAOYSA-N 434.569 4.886 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1cccc2c1OCCCO2 1760421500 QOLVCIUEDRTTNO-OAQYLSRUSA-N 426.561 4.522 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccc(F)c(F)c1 1760486340 LCPGLZGEJIGQIZ-UHFFFAOYSA-N 438.507 4.510 30 10 IJEE CC(C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C 1760874551 GQSURNHNMAKQNK-YADARESESA-N 444.624 4.615 30 10 IJEE CCO[C@H](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C#N)CC1)C(C)C 1767360691 BXIRMIRMIAMFAF-HSZRJFAPSA-N 439.604 4.665 30 10 IJEE CCCCOc1ccc(C=NN=C2NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1OC 1772742162 DKBRASXODRGFAY-FQEVSTJZSA-N 445.972 4.692 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)COc1ccccc1OCC)c1ccccc1 1861630721 DMQNICXBFVBDTH-VWLOTQADSA-N 440.584 4.798 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1c(F)cccc1Cl 1862471382 LACDXRMLOVQRNY-INIZCTEOSA-N 438.680 4.840 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862498836 RVDCBQWTVHXJEQ-FQEVSTJZSA-N 447.362 4.750 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(F)c1 1862524755 MKUSTOVIXIOOAM-SFHVURJKSA-N 432.289 4.823 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2F)c1 1862556177 QHPKHRZLCMIWIQ-QHCPKHFHSA-N 430.479 4.619 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)ccc1O 1862584806 IABQYSZYTCLBNC-GOSISDBHSA-N 436.291 4.694 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862595839 QKJRGTSQRJZMMU-QHCPKHFHSA-N 428.488 4.689 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c1 1862698590 KLXLHLHKZKXVGL-XMMPIXPASA-N 445.490 4.964 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(C2CCCC2)C1=O 1863287640 FAJXRPANBBOZKA-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE CCCCCCCCCCn1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c(O)cc1=O 1870117108 SNNSJVTVUFBAQB-UHFFFAOYSA-N 433.637 4.734 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)C(c1ccccc1)c1ccccc1 1870139162 BVSKIAYXYWUNKN-UHFFFAOYSA-N 447.420 4.928 30 10 IJEE Cc1cc(C)cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H]2CCCO2)c1 1871252364 XCZBUQRELYHGJD-RUZDIDTESA-N 443.547 4.707 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871375349 HCHCEMWFRZUVKR-QRVIBDJDSA-N 445.427 4.758 30 10 IJEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871390293 OUVQSYGYRVQCRO-UUYOSTAYSA-N 443.455 4.787 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871422610 ULAPRUQSTMNSEV-QRVIBDJDSA-N 445.446 4.970 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCC)nc(Nc2ccc(Br)cc2)[nH]1 1871472878 CPXWCFHRAFOJSJ-UHFFFAOYSA-N 445.409 4.970 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871874362 QXGGNWWFOKVNPV-QRWLVFNGSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1872130885 JJMYUMMPDJGPAH-OAQYLSRUSA-N 434.989 4.960 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)c1ccccc1)S(=O)(=O)CC 1872178436 SAKNQKNZRQCJCR-HSZRJFAPSA-N 444.597 4.773 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872434429 QERMRBVELIPUDK-OAQYLSRUSA-N 434.989 4.859 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872475387 INHGXOJETIKIDR-QHCPKHFHSA-N 428.598 4.932 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872498471 AZNDAUHBCOSIKF-HXUWFJFHSA-N 434.989 4.859 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2C(=O)OCCCC)[nH]1 1873469723 DLIOZERQMKLLQP-UHFFFAOYSA-N 442.523 4.536 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1cn(C)c2ccccc12 1874288551 LBHSHUADPSMIBN-DHRITJCHSA-N 447.564 4.908 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 1874445975 PPYBECJFQBSSSQ-BYWZACNXSA-N 442.928 4.656 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2F)nnc1C(F)(F)F 1874460199 MQRLMAHREIUPEN-LSFURLLWSA-N 425.367 4.519 30 10 IJEE COCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Br)cc1 1874472006 IPIGZPNULLQWNL-WSDLNYQXSA-N 449.349 4.543 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C(C)(C)C)cc1 1874484058 CPCANCKVHGOAJW-BUVRLJJBSA-N 427.618 4.561 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)(C)C)cc1 1874485611 FLPADKXOKCXNHI-PMFZIYJTSA-N 449.624 4.990 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 1874494456 MYBRWKYBZOYLGN-CIAFOILYSA-N 438.469 4.537 30 10 IJEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3COc3ccccc3)c2)cc1 1874561152 GEJKPVURLSKZSK-MFKUBSTISA-N 430.533 4.915 30 10 IJEE O=C(Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1cnccn1 1875105416 UAQZMWCQTFLARA-ORCRQEGFSA-N 444.230 4.807 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)COCc1ccccc1 1875124087 SHCXPULGZZDMOG-YRNVUSSQSA-N 438.426 4.992 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCC1)n2CCOC 1875225981 WQEDNPPDBHCZGY-UHFFFAOYSA-N 429.609 4.866 30 10 IJEE C#C[C@H](C)N1C(=O)NC(=N)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875686965 NMYXUHPYYNQXJJ-UQBPGWFLSA-N 439.515 4.910 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2cc(Br)c(Cl)s2)C3)OC1(C)C 1879730574 ODBPGBDCFMEJKB-QGHHPUGFSA-N 446.603 4.862 30 10 IJEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)cc1 1891275459 WLNMCJPMBTYBRJ-UHFFFAOYSA-N 436.508 4.596 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 1912152549 VPBYLBXGRHGUPB-UHFFFAOYSA-N 434.541 4.607 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@]1(O)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924834318 BOQKBHOQGGFANQ-RLWLMLJZSA-N 443.584 4.555 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1ccc(Br)cc1Br 1992853906 OPSVRCLWGLSQEE-HUUCEWRRSA-N 449.183 4.584 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2009499028 FVAJBKFWCXIIIE-QHCPKHFHSA-N 431.508 4.860 30 10 IJEE Cc1ccc([C@H](n2nc(C)c(C#N)c2I)C2(C)CC2)c(F)c1F 2079848031 BVFZUWHWUCFDAW-HNNXBMFYSA-N 427.236 4.644 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079853287 DWMUPWJDNDFWTM-MRXNPFEDSA-N 435.309 4.665 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1N 2079969370 BTEMIOIWSBVEJC-CYBMUJFWSA-N 439.331 4.818 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 2094849492 QSFBXBXPRLAICT-UHFFFAOYSA-N 438.377 4.623 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2cc(Br)cc(C#N)c2)CC1 2106959887 SLSFXJWCURLUIE-KRWDZBQOSA-N 426.330 4.718 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2124519829 NQKMXVZWFZOSBF-VNCLNFNDSA-N 444.381 4.627 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2159128723 VKANUCUHCBQQBP-GJZGRUSLSA-N 441.414 4.643 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@@H]2CCCC[C@H]21 2174814691 KKTZORQQAKEFLG-IAGOWNOFSA-N 438.341 4.828 30 10 IJEE CC(C)C(CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)C(C)C 2189240882 YUDKEEBHXBINBY-UHFFFAOYSA-N 426.204 4.840 30 10 IJEE CC(C)(C)[C@@H](N)C#Cc1sc(Br)c(Br)c1Br 2212189812 PDEJZBBJOXXLQU-ZETCQYMHSA-N 430.003 4.761 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1ccc(C#N)c(Br)c1 2226201448 MMJVCSCZSGDMBH-CQSZACIVSA-N 430.293 4.767 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2255527110 FZVXYJLTDWMNIH-UHFFFAOYSA-N 425.353 4.813 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(CCC(F)(F)F)Cc3ccccc3)cc2)OC1(C)C 2255696553 VODRXDPSSXMPDW-UHFFFAOYSA-N 433.279 4.581 30 10 IJEE C=CCCC1([C@H](O)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2266305225 LUSBMDOXCIUQSC-QGZVFWFLSA-N 426.351 4.694 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(F)c(F)c(Br)c(F)c1F 2267784529 ISSFZNGVSRAOSN-VXJOIVPMSA-N 442.247 4.898 30 10 IJEE C=CCCC1(C(=O)NCc2ccc(C)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2296178081 IOONOMQUXPGEDR-UHFFFAOYSA-N 437.378 4.577 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 2296216515 LMOFUJOVZZSQIB-BJLQDIEVSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296277151 OVRJHOAZWRNSHK-MOPGFXCFSA-N 434.374 4.731 30 10 IJEE CCc1ccc(-n2cc(C=NNC(N)=S)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 2296403239 FBJBHZBQPKBODZ-UHFFFAOYSA-N 425.561 4.936 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2296603242 LCUMJTPPJIWSNP-XMMPIXPASA-N 442.515 4.799 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 2297748269 OHZJRFPOAVXLMJ-MZNJEOGPSA-N 449.547 4.592 30 10 IJEE CC[C@H](CNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317347256 VFMYBGWTVVQHFP-QGZVFWFLSA-N 432.370 4.656 30 10 IJEE COc1cc(C=Nn2c(S)nnc2COc2c(C)ccc(C)c2C)ccc1OC(C)C 2322161071 XIUYCEHRLKACFA-UHFFFAOYSA-N 440.569 4.749 30 10 IJEE Cc1c(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1cccnc1)C2=O 2323435688 SXSQHXPBHYZQBS-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc(Br)c1OCC(N)=O 2324171803 PJAQJPNEOSGJPU-UHFFFAOYSA-N 446.341 4.731 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCCCO)c(Br)c1 2324697094 TXPWXYUVPTWPBH-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2325074165 LRSVOESMSGSCJZ-OAHLLOKOSA-N 430.884 4.612 30 10 IJEE O=C(N[C@@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1ccc2cc[nH]c2c1 2328355720 UNCYBKKWMWWRCS-NQIIRXRSSA-N 442.346 4.608 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1 2329542127 ARGYOVFPXFZDTR-HSZRJFAPSA-N 426.626 4.535 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCCCO)nnc2[C@@H](C)c2ccccc2)cc1 2330132552 CGNCYQVVQMDDJD-IBGZPJMESA-N 438.597 4.966 30 10 IJEE CC(C)CNC(=S)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2330448504 BNUMUHRRLOQROZ-UHFFFAOYSA-N 428.989 4.828 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)COCc1ccccc1 2331571233 GMJZSDWNMMHQCD-UHFFFAOYSA-N 438.426 4.992 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585779 UREVINGMPSXDEM-RIBQSRIRSA-N 444.381 4.751 30 10 IJEE CN[C@H](C#Cc1ccnn1C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2342004105 VBMGHJCIORUDJK-AREMUKBSSA-N 437.543 4.890 30 10 IJEE Cc1cc(CN[C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678924 KSUCAQMMPBUUQJ-RUZDIDTESA-N 448.460 4.685 30 10 IJEE CC1(C)C[C@](Nc2ccc(Br)cc2C#N)(C(=O)O)[C@H]1OCc1ccccc1 2374899916 ZKJVAIOSKKFCPK-GHTZIAJQSA-N 429.314 4.571 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc21 22509735 IBGGUVBQHQCNCS-UHFFFAOYSA-N 429.904 4.930 30 10 IJEE COc1cc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)cc(OC)c1O 39862658 OCNLOTNVOXTBMZ-TVGGXGMTSA-N 433.489 4.613 30 10 IJEE C=CCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)S1 39888232 LGFDDKVCZDRWRL-BYWZACNXSA-N 434.348 4.722 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1OC 40077152 SVYHLBNLNVLEQW-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CC(C)COC(=O)CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59310190 JUOKGNAWTBECAX-WYMPLXKRSA-N 433.537 4.848 30 10 IJEE CCN(CC)c1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)cc1 98036685 QKSGMPBKCRYXNI-MGPUTAFESA-N 434.565 4.981 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 102628517 WBLHVGDVQJVGJI-FEYWKWKCSA-N 447.462 4.859 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102734203 RMFMILGTAWRSEC-RKKARLDVSA-N 432.476 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(OC)c2)cc1 169928601 BOVKZCQAZKEVIK-NRFANRHFSA-N 435.501 4.544 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929608 LUWVNXTZYWNIQF-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)cc1OCc1ccccc1Cl 169936697 LTIATXPZUDRRQA-JOCHJYFZSA-N 442.968 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)cc1 169996537 KUSMQPMXGIFVJM-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@H]1c1cccnc1 170009210 XLQGWMUPFKGRQC-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)cc1 170021772 INBXSEOUYAVTAG-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccncc2)cc1 170024949 KSRYUJDGZNNSLA-HSZRJFAPSA-N 430.479 4.604 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 170081299 BUZDIXSPQZNLAW-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)c1 170102457 MOHQJCBAQXYUTA-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)c1 170119377 KTRIVDLQTMZBQV-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCCC2)c1 170119416 GIJVICRCFWBXLU-UPCLLVRISA-N 447.531 4.930 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(OCC)c1 170149217 UQAGIVZLVLYRLV-QHCPKHFHSA-N 431.488 4.932 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccs1 170164578 DCZITPWMLQWUSJ-LJQANCHMSA-N 444.940 4.678 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)c1 170183047 KUGQTXWMGLAOAX-NRFANRHFSA-N 434.517 4.710 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 170189614 ALZLBROKUJAHOR-QFIPXVFZSA-N 426.428 4.619 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1F 170250765 BEAFCJFKGFHMSA-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)cc1OC 170269838 CMHIKGLOWCLUMQ-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1 170375569 XSPCWPNMQSJLFJ-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCc1ccc(NC(=S)NN=C2C(=O)N(Cc3cccc(C)c3)c3ccccc32)cc1 254412561 XHIPMOYDCVJJLQ-UHFFFAOYSA-N 428.561 4.795 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)OC1(C)C 405011604 UQGCQXJLVQDRLY-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1 433396688 XNGIFVYNHURIGM-UHFFFAOYSA-N 428.492 4.681 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 436440486 XPZVGFQKRYCDJI-QGCDCVKKSA-N 429.545 4.702 30 10 IJEE N#Cc1csc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 469766875 XWLZGBQFMPRUOM-CQSZACIVSA-N 434.361 4.871 30 10 IJEE CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C(C)(C)C#N)cc1 475650768 XVAQIPMJNHIKGP-UHFFFAOYSA-N 431.458 4.996 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2OC)cc1 477403327 DUGOBHBIKUIDCT-HSZRJFAPSA-N 433.552 4.748 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 480227430 ZLDRGPCMEJOITP-NRFANRHFSA-N 433.508 4.599 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccccc3Cl)c2C)cc(OC)c1OC 482229247 FITRPLHMPRPPCC-UHFFFAOYSA-N 425.916 4.510 30 10 IJEE COc1ccc(Br)cc1/C=N\n1c(C)nnc1SCc1cccc(C)c1 526808773 QJPUZVSYTSSTCY-NHDPSOOVSA-N 431.359 4.841 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OC)c1OCC 526823150 RINAMDKQHFTAQN-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCOc1ccc(OC)cc1 555247949 HCIJYUQERFCQSC-ZEQRLZLVSA-N 448.567 4.623 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 567172135 AUDIVZPIBJNPHJ-OAQYLSRUSA-N 429.568 4.513 30 10 IJEE CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2cccs2)cc1 585693232 ZLQXRZZFHKQSDI-MWTRTKDXSA-N 449.551 4.794 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)cn2)c1 609137320 LSLGKGNHCCIIAT-NRFANRHFSA-N 433.556 4.865 30 10 IJEE CCCc1ccc(-c2ccc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)cc1 609810214 LXRNQNSMHJYZMI-UHFFFAOYSA-N 425.536 4.927 30 10 IJEE CCN[C@@H](CC#CC(C)(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693702520 PRYMZDDWUQLZBA-BKMJKUGQSA-N 427.633 4.574 30 10 IJEE Cc1cc(Nc2cc(I)ccc2Br)c(C#N)cc1N 721128999 PERCIXFOACDJLQ-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE C[C@@H]1Oc2ccc(C3=NN/C(=N/[C@@H](C)c4ccc(Cl)cc4Cl)SC3)cc2NC1=O 728062244 KZXUDTSERFHJOB-QWRGUYRKSA-N 449.363 4.871 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)CN[C@@H](c3ccccc3)C(F)(F)F)c2)s1 746288819 AXWCJMGTBMJTDI-NRFANRHFSA-N 429.467 4.796 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 1125323104 AZTCVZQOMRZUPT-NRFANRHFSA-N 425.488 4.760 30 10 IJEE C=CCCn1cc(C(=O)N[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)nn1 1127476776 OFUDVPXYADVYCO-HXUWFJFHSA-N 448.420 4.562 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)CCCN1C(=O)OC(C)(C)C 1128124047 QAVWQHNJDNQXQU-DEOSSOPVSA-N 445.991 4.836 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)C(C)(C)C)cc1 1128143277 DDOWIDIJFUSNTD-QHCPKHFHSA-N 446.591 4.920 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Cl)ccc2Sc2ccccc2)n1 1128570346 LYVGXYHFXYUOSX-UHFFFAOYSA-N 439.968 4.610 30 10 IJEE C=CCOc1ccc(CC(=O)N2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)cc1 1131041556 DNYIHPMUQHWIIV-OAQYLSRUSA-N 436.552 4.667 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(C/C=C\c2ccccc2)CC1 1136729061 QJYGODYWDDUWID-TWGQIWQCSA-N 430.470 4.741 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)C(F)(F)F 1167379069 LCBYXVSUGATBKJ-VFNWGFHPSA-N 446.469 4.927 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(Br)ccc21 1176303135 RLTCOOYBPNSHBH-MSOLQXFVSA-N 437.378 4.802 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)cc1 1185431839 MDYIOGFGSJKANP-SFTDATJTSA-N 426.626 4.762 30 10 IJEE C[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 1188546820 GOWDGXFHSOOFDR-JTQLQIEISA-N 429.357 4.773 30 10 IJEE CCOC(=O)c1c(NC(=O)CSc2ccc(C#N)cn2)sc(C)c1C[C@H](C)CC 1188611296 HNAMLIVGMGDPQN-CYBMUJFWSA-N 431.583 4.819 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)cc1 1209621540 UKRKKTOYZZTAGP-QHCPKHFHSA-N 434.552 4.541 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN2CC(F)F)cc1Cl 1214721264 APLPOYDOWUMYDZ-MJGOQNOKSA-N 432.902 4.846 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccccc1)c1nccs1)c1ccc(Br)cc1 1221856927 IPXYKTKCMRODJQ-ZWKOTPCHSA-N 426.339 4.669 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1ccc(Cl)cc1F 1223066813 RRESHHUSUGNUFQ-VQTJNVASSA-N 431.298 4.592 30 10 IJEE C=CCCSCCNC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 1252772951 SLWURMPHDPWJQD-SFHVURJKSA-N 425.639 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1264265006 JFLNNLCBAXITIC-UZINWLIJSA-N 448.563 4.805 30 10 IJEE C=CCN(C(=O)c1cccc(-c2csc(C)n2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1269213958 CJYAYBOCUWHMDG-HSZRJFAPSA-N 434.561 4.921 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)cc1 1269750667 VLIDXLOSAHZFMN-IBGZPJMESA-N 430.863 4.620 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1 1278998679 NPHFPRMRSOLDDH-RXVVDRJESA-N 443.565 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286284063 WRMDKCWKKLLJCH-KSZLIROESA-N 431.987 4.564 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](OCC)c1ccccc1 1286365807 JWXQJRWTJCQQTM-NQIIRXRSSA-N 434.609 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCOC1CCCCC1 1286527108 ANHDSYPNASFIRC-AREMUKBSSA-N 436.600 4.897 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@@H]1OC)C1CC1 1286732942 JXTJGQXYAARHSA-KUHUBIRLSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286746855 FJPMMYNHHPKHMH-DLBZAZTESA-N 433.622 4.959 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1CC1(O)CCCCCC1 1286766609 SNIHQGVVXPXVOS-UHFFFAOYSA-N 426.605 4.924 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1csc(Br)c1 1286771380 MMQLQVPOEJCLNA-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1286837135 UEKSTWIMYKINDS-IFMALSPDSA-N 447.693 4.530 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(F)cn2)cc1 1287629227 ANGABROGMFJDSX-SFHVURJKSA-N 436.535 4.691 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nccc(-c2ccccc2OC)n1 1288070999 LVWZIOPTDOOWTL-UHFFFAOYSA-N 429.398 4.988 30 10 IJEE Cc1cc(Cn2c(C3CC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1F 1289396998 CGZGPOSVVUGWST-UHFFFAOYSA-N 436.375 4.972 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 1296415688 AMLIBYJYANTBNQ-GOSISDBHSA-N 436.955 4.714 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C 1296483842 DCVNGTRDGACMQQ-DBXWQHBBSA-N 427.618 4.598 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)C1 1297859004 AEGRSSFOYAEEER-VXKWHMMOSA-N 432.597 4.565 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCC(F)(F)F 1300348451 LXFSFESDELZEDC-UHFFFAOYSA-N 429.284 4.900 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCSC1 1300557181 QHCZDVVIKFPJFU-YADHBBJMSA-N 436.625 4.641 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CN(C)C 1300603168 XNFJJTNZSCZEFV-LJQANCHMSA-N 446.039 4.736 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](OC)C2CC2)CC1 1301105069 CHRUBKHHAINURP-IERDGZPVSA-N 430.980 4.899 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C2CC2)N(C)C)CC1 1301114537 UCPUIJRCSTYUON-FQEVSTJZSA-N 434.415 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCCN(CC(F)(F)F)CC1 1301140901 GDCLPTYRAKELKE-UHFFFAOYSA-N 435.538 4.930 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)NCCC)CC1 1301176839 MCRLQWIGGKTOFJ-UHFFFAOYSA-N 447.986 4.837 30 10 IJEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(C(F)(F)F)CC2)C1 1301296590 AFYZDPYUADXLRC-FDYSRKEFSA-N 447.505 4.658 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1301615290 KCQKOOMIMBBGSH-UHFFFAOYSA-N 447.530 4.968 30 10 IJEE C#CC1(NC(=O)[C@@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1303026007 BEIYHKPVYCZODN-RUZDIDTESA-N 442.559 4.922 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(Nc4nc(C)cs4)c3)n[nH]2)c1C 1303919411 DHLMMOHHQZAIMV-UHFFFAOYSA-N 433.541 4.837 30 10 IJEE Cc1nc(C#N)cc(Sc2nc3cc(Cl)ccc3c(=O)n2-c2ccc(Cl)cc2)n1 1306920347 FJYBDFMSOBZIGK-UHFFFAOYSA-N 440.315 4.814 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCc2ccc(OCCN3C[C@@H](C)[C@@H](C)C3)cc2)CCCC1(C)C 1312406452 XGTKQXVVJFOIGM-FBLLAGFSSA-N 441.660 4.972 30 10 IJEE C=CCSCCNC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1312483536 NTOTVWRDIURQAJ-UHFFFAOYSA-N 439.896 4.898 30 10 IJEE CS[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N(CCC#N)CC1CC1 1316374069 ATOFHTJUYCTXMJ-LBPRGKRZSA-N 440.436 4.651 30 10 IJEE Cc1csc(N(C(=O)COc2ccc(C#N)c(Br)c2)c2ccccc2)n1 1349950297 DSFAJNQRZCLSJS-UHFFFAOYSA-N 428.311 4.829 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1350334112 IBNVGWIGJQPMBN-NRFANRHFSA-N 442.581 4.558 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 1351448448 HJCSVWVJEUBWKV-FQEVSTJZSA-N 443.478 4.519 30 10 IJEE C#CCN(C(=O)CCc1ccc(CC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1353635705 UNVMWQPFINXFJP-OAQYLSRUSA-N 426.354 4.930 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1358908780 JEJRWVLMDJPKAK-UHFFFAOYSA-N 447.627 4.722 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359051637 FQOLKFHOUSIHPH-HOCLYGCPSA-N 439.412 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC1=CCCCC1 1359066124 ODOOVJPATRXAQW-JOCHJYFZSA-N 442.405 4.929 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1359116890 IYDWWYALGNBOGA-WOJBJXKFSA-N 427.618 4.834 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@@H]2C)CC1 1359169874 YLYLENCSAFOGBV-UFYCRDLUSA-N 429.609 4.943 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnc(C(C)C)nc1 1359209342 KLEFFLFGMUCEPD-UHFFFAOYSA-N 444.381 4.552 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359210749 GDMSHILIEQRJPO-UHFFFAOYSA-N 439.604 4.778 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C2CCCC2)CC1 1359221396 AIOTXXLQCREIHO-FGZHOGPDSA-N 429.653 4.618 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1359234374 NEPTXFJBSRECSV-NQIIRXRSSA-N 431.378 4.535 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1359341636 CLMFDLLSVAKAPW-HSALFYBXSA-N 434.650 4.613 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCCS2)c1 1361031750 ACUHYIXTJLXCIW-QPPBQGQZSA-N 439.629 4.890 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C 1434954675 UEQLBXWFFDXKIN-UHFFFAOYSA-N 438.568 4.803 30 10 IJEE COC(=O)c1cccc2nc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)[nH]c12 1435631028 GURNKWKQYPJMRD-UHFFFAOYSA-N 428.473 4.625 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3c3cccc(C(F)(F)F)c3)cc2C1=O 1436003797 RVHPQGQVHJOECC-HXUWFJFHSA-N 442.437 4.855 30 10 IJEE C=CCN(CCOC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1436111661 RRTHZUHCMZWPFY-UHFFFAOYSA-N 444.510 4.560 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@H](C)CCc2ccc(I)cc2)cc1 1436113627 PGVMPPPRRLPKQC-MRXNPFEDSA-N 449.332 4.536 30 10 IJEE Cc1cc2c(N3CCC[C@@H]3C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)ncnc2s1 1436350499 DGZHVWLCIZNLFW-GOSISDBHSA-N 435.553 4.656 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 1440716140 ZDYPMNVHNQWNKG-MOPGFXCFSA-N 446.979 4.529 30 10 IJEE C=CCn1c(SCc2cc(O)ccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CC[C@H](C)C3 1458727687 CQZDFMWYKDVNIE-LBPRGKRZSA-N 443.550 4.675 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)CC2(c3ccccc3)CC2)n(Cc2ccc(F)cc2)c1C 1459951404 BLRDFYBXDJZXSL-UHFFFAOYSA-N 444.554 4.766 30 10 IJEE N#Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)ccc1Br 1460564109 AOIQVWSXAQIUTC-UHFFFAOYSA-N 449.717 4.755 30 10 IJEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)C1 1460566265 CHKXFXKZHQYVRI-OAHLLOKOSA-N 445.610 4.590 30 10 IJEE CN([C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc(F)c1C#N 1463428866 FBXXVMLJMBDDMN-QAPCUYQASA-N 426.435 4.673 30 10 IJEE C#Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 1463545662 KEENJGWGVBOOBA-UHFFFAOYSA-N 432.545 4.955 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)C1CCOCC1 1465591195 KSLPJOWLWLWGPX-INIZCTEOSA-N 441.450 4.602 30 10 IJEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 1465909093 KRYPFNRVGXAYSG-MRXNPFEDSA-N 442.338 4.592 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CC(C)(C)CNC(=O)OC(C)(C)C 1469266045 AJQPGLRGSRKSGN-OAHLLOKOSA-N 441.494 4.887 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1OC 1474165146 GXOPTYPVFZMHTP-IBGZPJMESA-N 436.980 4.793 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(OC)CCC(C)CC1 1478578840 RFLXQOWKDLYXAD-UHFFFAOYSA-N 427.358 4.881 30 10 IJEE C#CCN(C(=O)NCc1c(F)cc(C)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1479414693 VNSMJHZZBZGIHS-LJQANCHMSA-N 449.295 4.704 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CCC[C@H]21 1507557025 GWHSKQFOQWHKIQ-DNVCBOLYSA-N 429.362 4.508 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cccs2)CC1 1507595709 UXJFNTACRMIUAC-UHFFFAOYSA-N 437.638 4.680 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507646204 RFENDYGSPNOMKW-MOPGFXCFSA-N 437.469 4.860 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507655739 NJIJVHQMMHFLIM-OKZBNKHCSA-N 443.378 4.673 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(OC2CCCCC2)c1 1507680700 KWAVMIFJXGSGJG-UHFFFAOYSA-N 445.567 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1C(C)(C)C 1507811229 OUBQOURWCQVHCW-NQIIRXRSSA-N 439.560 4.634 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1507870777 MTAYUYCTAMFBLY-ICSRJNTNSA-N 444.023 4.580 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN(CC(C)C)C1 1507970790 OHVOQCHKINGPFR-WOJBJXKFSA-N 429.584 4.547 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1C[C@H](C)O[C@@H](C)C1)C1CC1 1507987842 LTVWKCIGKBBVPU-BZSNNMDCSA-N 428.552 4.916 30 10 IJEE COCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1518784177 ARXFXBQFWQYYFU-OALUTQOASA-N 443.567 4.750 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1 1521674072 VBSUMAOMNCSCBM-QHCPKHFHSA-N 426.507 4.712 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1 1523486335 LOEHLUHLWCOMLC-HSZRJFAPSA-N 434.536 4.705 30 10 IJEE C#C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 1528497495 MVEILRUWYBDLNW-AWEZNQCLSA-N 428.069 4.768 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)c1ccc(Br)s1 1531612893 PMJNVHXIBSQJRW-NSHDSACASA-N 439.327 4.743 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 1534662366 HBBIPNCHCFLUET-NRFANRHFSA-N 437.341 4.843 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1537130834 JDYQDGXYCPPXFL-BTYIYWSLSA-N 440.462 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCc1nccs1 1538984808 QKEALECLLGGKHM-HNNXBMFYSA-N 444.402 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CCO[C@H]1C1CC1 1538986314 KERHESKXBCVLPX-DVXDUOKCSA-N 433.383 4.915 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(-c2ccsc2)nc1 1539035764 ULTMBNHTFZALQC-NQSCKRDGSA-N 449.624 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1C 1539305105 PKQOPRYDMCXOTH-MJGOQNOKSA-N 425.374 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCC1(C)C 1539541877 OACJWSYCLFCMTD-QVKFZJNVSA-N 430.394 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1539621543 AOSPXEMYTSJAHP-QUCCMNQESA-N 445.489 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1539628489 QDCHYFIYSKOLAY-LPHOPBHVSA-N 438.469 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC(C)C)cc1 1539674065 HNYBQIQQCGSFJW-UHFFFAOYSA-N 425.602 4.872 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1539684852 JVJCAJVDILCCNR-RTWAWAEBSA-N 439.604 4.890 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)C(F)(F)F 1539815925 AKWQXGLHINELHO-GCJKJVERSA-N 430.474 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1539920286 ARVUZDCWWQMPCA-GOSISDBHSA-N 433.641 4.915 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC(C)(C)OC[C@@H]1C 1539982257 SIOMUBNQLMVRPZ-AWEZNQCLSA-N 437.357 4.817 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2nc(C)no2)CC1 1539988965 LKNICMVPYUVTSG-UHFFFAOYSA-N 430.915 4.779 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CCc1nccc(C(F)(F)F)n1 1540161748 ISYAAXVORCXJHW-UHFFFAOYSA-N 448.880 4.828 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1540186671 GCRHYIDSWMVCLE-PZJWPPBQSA-N 438.547 4.651 30 10 IJEE CC1(C)CC(Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1541997406 DRCKCMGLJKCTOR-HXUWFJFHSA-N 432.341 4.586 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H]2CCCCO2)cc1C 1542471770 DVQJFBLHDDPEPC-PXDATVDWSA-N 437.588 4.563 30 10 IJEE Cc1nc(C)c(Cn2c(Cc3ccccc3F)nnc2N(CCC#N)CCC(C)C)s1 1542886279 BKAABTUUAKSBFM-UHFFFAOYSA-N 440.592 4.896 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1562252139 UYGYKKJHRMRXEZ-SFHVURJKSA-N 436.434 4.798 30 10 IJEE C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1569417044 FPFUTVUYDAAOAC-CQSZACIVSA-N 429.517 4.574 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(=O)OCC 1583525437 BLEIPAXCFJNFRB-MRXNPFEDSA-N 434.945 4.590 30 10 IJEE C=CCN(C(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1)C(C)(C)C 1586475063 YIDJMHLMWLNZEO-UHFFFAOYSA-N 436.581 4.752 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1587307259 PPRMVKRLWLEXJS-VWLOTQADSA-N 425.573 4.799 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1587817741 FIVFXKVBMBXIDO-QHCPKHFHSA-N 432.515 4.601 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCCSC 1588198574 ZNEFPYKXGDUZBW-UHFFFAOYSA-N 445.430 4.622 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H](C)Oc1ccc(Cl)cc1 1588241180 LTYVKPJLWIHXPU-SFHVURJKSA-N 438.984 4.514 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1ccccn1 1588288882 PBZSZAXAWAYBQJ-UHFFFAOYSA-N 431.540 4.910 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)c1cccs1 1588604434 JPZKRAGULCBESU-UHFFFAOYSA-N 428.989 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCc1nccs1 1589243002 SDZUFBUEZSZNBX-JOCHJYFZSA-N 441.988 4.592 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1589567136 ANVRCRBJBPPZKX-IMSXRSKXSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1c(C)noc1C 1589616011 ZNZILWFTZVCMOZ-UHFFFAOYSA-N 436.379 4.825 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COc2ccccc2)C1 1593844433 BGRSJJWOBYKNND-MRXNPFEDSA-N 430.339 4.651 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1593899771 BZILOCAHNAHHDC-UHFFFAOYSA-N 436.044 4.628 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC[C@H](O)C2)CC1 1594035422 IQADGGIJLSZNGR-WBVHZDCISA-N 449.368 4.554 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H](C)c2ccccc2)CC1 1594430009 GKISGSAONGXZMO-IBGZPJMESA-N 449.624 4.866 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1594522106 WJHBKSHZSXJFFN-OAQYLSRUSA-N 449.603 4.509 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1594752838 RFCZAXOATLLJIC-UHFFFAOYSA-N 449.643 4.504 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(c2ccccc2)C1 1594760909 SERWKKSRQFZLJT-UHFFFAOYSA-N 433.581 4.530 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(CC(C)C)C1CCCC1 1595650102 XAFTXDKZFXDWNT-UHFFFAOYSA-N 432.572 4.753 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCc2nc(C)cs2)C1 1595705589 BOOQOTINHXYNLL-FQEVSTJZSA-N 437.613 4.823 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1595851241 ZHJKJBYQDQSNEF-DBVUQKKJSA-N 427.574 4.787 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(OC(F)F)cc2F)s1 1597097413 IZSJPJUNLYKLNC-UHFFFAOYSA-N 436.908 4.896 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)cc1 1597102660 LGWUMVZPPBFXFX-UHFFFAOYSA-N 429.538 4.522 30 10 IJEE Cc1noc(C)c1CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1612626362 FQKJYJMROKRSME-AWEZNQCLSA-N 444.992 4.810 30 10 IJEE C#C[C@H]1CCCN(CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)C1 1618916285 NDHYTSBOVYKWCU-NRFANRHFSA-N 426.564 4.946 30 10 IJEE COCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCCCC1 1619644575 AUCPXOWPIFJVGT-DEOSSOPVSA-N 437.588 4.681 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1)c1ccccc1 1622834096 VJNJBTGICYZVOP-UEXGIBASSA-N 428.602 4.971 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1623086269 CFZCJFBGXJMDEF-UXHICEINSA-N 441.572 4.590 30 10 IJEE C=CCn1c(SCC(=O)NCC2CCC3(CC2)CC3)nnc1-c1ccc(Cl)cc1 1623639771 SWYDNAHVCKOICY-UHFFFAOYSA-N 431.005 4.963 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(Br)cc2F)cc1 1623891482 XXPRYPKGMUNHNT-UHFFFAOYSA-N 426.673 4.801 30 10 IJEE C=C(C)CONC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 1628314057 GLRBKEOFVSULIB-UHFFFAOYSA-N 449.743 4.685 30 10 IJEE C=CCC[C@@H](NC(=O)CNC(=O)CCc1ccc(C)cc1)c1ccc(C(F)(F)F)cc1 1636926066 KCPOHJHHRATUPM-OAQYLSRUSA-N 432.486 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1OCCC1(C)C 1649538424 DFDLLAUOEXXQRD-QFBILLFUSA-N 435.597 4.650 30 10 IJEE C=CCn1c(SCc2ccc(C#N)cc2OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652349044 KAFIPZHUQCZELF-CQSZACIVSA-N 437.590 4.941 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(Cl)c2)C1=O 1652451913 YLOPSXWMEQTJBR-GOSISDBHSA-N 446.359 4.572 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)N(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)C2)cc1 1653462803 HGJQBQUMXKDTLR-XMSQKQJNSA-N 430.552 4.743 30 10 IJEE COc1ccc([C@@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1F 1654170557 BSXAECXPELCNJO-QHCPKHFHSA-N 446.526 4.889 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Br)c(F)cc1C 1661003267 XMZOQCYFUZYPEE-UHFFFAOYSA-N 438.771 4.988 30 10 IJEE CCCc1c(NCc2cc3c(cc2OC(F)F)OCO3)cnn1-c1cccc(C#N)c1 1662257169 CHKZFSYPOIQECD-UHFFFAOYSA-N 426.423 4.639 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c1 1662983290 WVCAAUSDZLSEQR-JOCHJYFZSA-N 428.598 4.576 30 10 IJEE C=CCC[C@H]1CCCN1S(=O)(=O)c1c(Br)cc(C)cc1Br 1665938503 SELCDQHDBNDPPK-LBPRGKRZSA-N 437.197 4.639 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)N[C@@H](c3cccc4ccccc34)C(F)(F)F)C2)cc1 1669035247 BABSRTWSRQNRAW-NRFANRHFSA-N 425.410 4.788 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 1669072312 DRJGJXJXDOIIEQ-UHFFFAOYSA-N 438.572 4.846 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)C(C)(C)C 1669171067 YJDGPZONOUZRSU-IBGZPJMESA-N 431.458 4.805 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC1([C@H](O)c2ccccc2)CC1 1670845512 PVDDDALNDCWDHK-LJQANCHMSA-N 431.330 4.649 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)sc1Cl 1671770742 KCDKXKHYYAXBFZ-CQSZACIVSA-N 444.803 4.866 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc1 1672474195 ILISJMBOMOGJKR-UHFFFAOYSA-N 428.414 4.533 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Br)cc2Oc2ccc(C)cc2)C1 1673745161 PVBOJFWBEXWUHB-GOSISDBHSA-N 442.357 4.769 30 10 IJEE C#CCN(C(=O)NCCc1ccccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1677866714 KMGVOSQYVCZTPD-LJQANCHMSA-N 447.760 4.814 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 1678937535 LUMJCACPRNTRET-LJQANCHMSA-N 431.305 4.647 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1 1679223008 LACUKFDLLVWJER-UHFFFAOYSA-N 432.520 4.857 30 10 IJEE C#Cc1cccc(CNC(=O)NCCOc2c(Cl)cc(Br)cc2Cl)c1 1679707543 PWNNGMKBPOMFAI-UHFFFAOYSA-N 442.140 4.615 30 10 IJEE C=CCC1(CNC(=O)N(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)CCCC1 1682500726 JJHZQECJXIQTKZ-UHFFFAOYSA-N 426.388 4.778 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1)c1ccc(Br)cc1 1683512928 SKWKOAPFKBCCPC-SFTDATJTSA-N 441.369 4.903 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 1685798700 DMIMVRXUFFVGDJ-VQTJNVASSA-N 431.458 4.817 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)cc1 1686427474 QEKUBZYGURXNAT-LBPRGKRZSA-N 425.273 4.853 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1686740329 ITSPMQRVHFJUDA-FNAHDJPLSA-N 427.589 4.509 30 10 IJEE C=CCCC1(CNC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CCCC1 1687039515 JPIOPJKKSCHTAI-GOSISDBHSA-N 434.378 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)c1nc(C)cs1 1689866376 AYXMJXKWHTWZRZ-RDJZCZTQSA-N 441.626 4.606 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2CCC[C@@H]21 1690304977 UAVUGEHDNWHDMZ-CABCVRRESA-N 437.407 4.741 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCS1 1690588040 GPHDTVUIVMYFCD-INIZCTEOSA-N 449.418 4.790 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCC(F)(F)C2)C1 1690712342 SZJIQHBWVBDYJE-QUCCMNQESA-N 446.542 4.636 30 10 IJEE CC(C)CC1(Cn2c(N3CCN(c4cccc(F)c4C#N)CC3)nnc2C(C)(C)C)CC1 1692061978 BGCYEMVSJZSZFV-UHFFFAOYSA-N 438.595 4.739 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nc(C)cs1 1705477912 UCICHNZRCZXCKB-IAGOWNOFSA-N 444.004 4.959 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1705726159 UTYHYJXOUZUUKV-QUCCMNQESA-N 444.023 4.620 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1 1705732430 YZRTXMUEIBEBIB-HXUWFJFHSA-N 426.605 4.698 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)[C@H]1C 1705733473 ORUKBTGOPKGFNT-CVEARBPZSA-N 437.009 4.530 30 10 IJEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1705738921 PBAQPYBVBVYMGK-UHFFFAOYSA-N 445.489 4.512 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC2(CCC2)C1 1705740121 BTIAUSNNJAXIAW-UHFFFAOYSA-N 428.602 4.552 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C)s1 1705832833 KMHKUYILXBQXCA-WOJBJXKFSA-N 432.634 4.796 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CC1(C(=O)NCC)CCC1 1705862688 SGLMSEJZABIDAK-UHFFFAOYSA-N 439.579 4.574 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)SC 1705868132 CCIKKIGXGZUYOF-QGZVFWFLSA-N 438.626 4.522 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(Cl)s1 1705882665 FSRFCDXCBDOFQF-UHFFFAOYSA-N 439.972 4.895 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C(C)C)N2CCCC2)C1 1705918050 BIRWHLRLMPSSMJ-KNQAVFIVSA-N 444.023 4.500 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1cccnc1 1708175180 BCSVSPZLMLBJGL-AUSIDOKSSA-N 444.583 4.655 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCC(F)(F)C1)[C@H]1CCSC1 1711026099 FACBJOWPUBIVAC-MJGOQNOKSA-N 431.556 4.974 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(C)C)CC1 1722334248 VFNZSHFPPKAVBM-OAQYLSRUSA-N 443.636 4.678 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722337235 XZOPIVZHXYWISP-HSZRJFAPSA-N 437.607 4.514 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCCN1CCCCC1 1722345274 HCQGIBNMBUDJKM-HXUWFJFHSA-N 439.673 4.857 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CC1CCC(C(F)(F)F)CC1 1722383445 KMUWXTAMEZTIHX-UHFFFAOYSA-N 428.502 4.619 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccc(C)o1 1722503151 VVIRFKIZUMJVRU-FDDCHVKYSA-N 440.519 4.515 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)[C@@H]1C 1722529471 UBQBPWIVHIIGBX-ACRUOGEOSA-N 444.645 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC)CCOCC 1722545703 AFNCJICXKDJMPG-UHFFFAOYSA-N 431.993 4.992 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722603310 IHLASCGYGFLEMQ-KRWDZBQOSA-N 442.589 4.613 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC(C)=C(Br)C1 1722626483 NDDGZCKFDJFCRM-UHFFFAOYSA-N 435.341 4.556 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(C)CCc1cccs1 1722688272 ZSYSAZADXBXWAX-UHFFFAOYSA-N 433.375 4.546 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N(C)Cc2cc(Cl)ccn2)cc1 1722704771 OIFLYIDUUZOXMX-UHFFFAOYSA-N 425.964 4.775 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC)C1 1722740308 SMHKLXMXYHJSKN-QGZVFWFLSA-N 439.050 4.758 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC[C@H]1C 1726596418 BSAKNFYLIKEFFR-HMFYCAOWSA-N 434.613 4.663 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(CC)CC1CCC1 1740712869 WUIPRKLSLCBOIV-UHFFFAOYSA-N 439.448 4.762 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OCC)cc1 1740893934 CMEHGTZEQLQPOS-UHFFFAOYSA-N 433.375 4.838 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1Cc1cn2ccsc2n1 1740915829 UROMGAUUFVEOPE-QGZVFWFLSA-N 436.585 4.750 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CC1CCOCC1 1740919511 IUAYALVIHBGSPY-UHFFFAOYSA-N 441.938 4.752 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1741000576 SYRDVXMYESPXAO-UHFFFAOYSA-N 449.624 4.960 30 10 IJEE CCCCN(C)CCn1c(-c2ccc(C)o2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1745429268 GVSJHSFNNCLIJJ-UHFFFAOYSA-N 444.583 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCSCC 1748648088 XUSIVMWNMNWVAR-INIZCTEOSA-N 425.627 4.978 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(N(C)C)CCCCC1 1748654135 GAZBSQCBTLINTM-MRXNPFEDSA-N 434.415 4.974 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC1(C)CC1 1748833713 XCMXTGPBJLMXKE-UHFFFAOYSA-N 431.765 4.624 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1[C@@H]1C[C@H]1CCC 1748882605 YNMPDCNRFMRGFL-DNVCBOLYSA-N 429.337 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC[C@@H](C)N1CCCCC1 1749060922 DZOQCNZYJSVTNM-NTKDMRAZSA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1(CCOCC)CC1 1749068464 JZYPEKKWBIJSOS-HSZRJFAPSA-N 426.992 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCOC(C)C 1749149074 QFXQLFBUSFWQKT-UHFFFAOYSA-N 437.382 4.544 30 10 IJEE C=C(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749207991 WZHSNSMOECYASO-BGYRXZFFSA-N 425.577 4.570 30 10 IJEE C=C(Cn1c(N2CCC[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1749248320 ZZBASLVUKZWTHO-SESVDKBCSA-N 437.588 4.751 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)CCCCC)CC1 1749260645 UWLAXCUAZIOZMO-UHFFFAOYSA-N 429.996 4.671 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1749385339 QBHPGKSLRGMPAT-JOCHJYFZSA-N 428.540 4.557 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1749474318 PTLRNQCSSBDZPY-INIZCTEOSA-N 441.963 4.512 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCC(F)(F)C1 1749551088 RFOXIVBTHZYXLL-AEFFLSMTSA-N 449.571 4.699 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@](C)(O)c1cccc(Cl)c1 1749585983 IEOZOQJSEZOIMW-QHCPKHFHSA-N 428.964 4.791 30 10 IJEE CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCc1nc2c(s1)CCCC2 1750609918 ICYDZHGUOSLADW-UHFFFAOYSA-N 434.613 4.878 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(C)(C)C)C1 1760131177 VSHVFOVUFKCZNV-MRXNPFEDSA-N 432.410 4.722 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1760277297 GLBVJNYZRLZTHB-RDTXWAMCSA-N 449.393 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H](OC)C(C)(C)C 1760289467 PDXFQXLWVSYEEP-PGRDOPGGSA-N 445.405 4.761 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCC)CC1 1760401275 DWUJWOGOUODOCS-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760415990 QZKJVULSUGCDCD-LEWJYISDSA-N 439.648 4.941 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1760452181 HBWPBIUVZFEOCR-JOCHJYFZSA-N 439.629 4.521 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCO[C@H](C)C1 1760499555 BWZXUVKNOPLDSF-NHCUHLMSSA-N 435.572 4.682 30 10 IJEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N(CC(C)C)C1CCCC1 1761608014 AZSJBLYAAFSOGF-UHFFFAOYSA-N 431.588 4.886 30 10 IJEE C=CCNC(=O)Oc1cccc2c(NC(=O)/C=C/c3ccc(OC)c(OC)c3)cccc12 1858939682 CWCXPKAOKNFPEB-WYMLVPIESA-N 432.476 4.783 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1859463392 FVEZXUWVYOIVDL-UHFFFAOYSA-N 442.559 4.564 30 10 IJEE CC(C)c1nc2ccc(C(=O)NCc3ccc(C(=O)Nc4ccccc4C#N)cc3)cc2[nH]1 1860908498 IPVFUVBIGBZDNK-UHFFFAOYSA-N 437.503 4.740 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862397487 MOBVESFGCIPFGY-OAQYLSRUSA-N 438.480 4.630 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862451208 ZMBRSZYSKAHXGK-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862494525 MWRKHLBMVWLSKS-HSZRJFAPSA-N 435.520 4.699 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(N(C)C)cc1 1862526725 XSUCQNVWKYJAPC-LJQANCHMSA-N 443.341 4.502 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(O)cc2)cc1 1862529486 GZFUMMWVPWGIJK-QHCPKHFHSA-N 431.463 4.872 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(=O)O)cc1 1862547432 VBVHRNNIYZZCNH-JOCHJYFZSA-N 433.504 4.642 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862559060 GSSQSJHYEKSFBW-HSZRJFAPSA-N 446.478 4.585 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862591582 JUYLWAYTZTTXOI-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862594291 RTMLZELDCBXNFI-QRQCRPRQSA-N 444.443 4.640 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862616255 SUDRAMCKMDBCFG-QHCPKHFHSA-N 434.580 4.904 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862618062 OIKCXCISWOSGDY-JLTOFOAXSA-N 427.928 4.597 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 1862673068 BGLHENLGAXBZNJ-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2)cc1 1862688403 XBRLEZDPDUMHHT-XMMPIXPASA-N 427.500 4.906 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 1862722010 VNIAZNCAWKTNEZ-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 1862735500 MKNXMQGQEXTVNE-NRFANRHFSA-N 436.464 4.602 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3)C2=O)cc1 1863354971 DOORMLKOLJKQQA-UHFFFAOYSA-N 437.499 4.738 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863367027 JFMPAGRHVDTNQX-UHFFFAOYSA-N 446.453 4.922 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863436381 GLMRWJDVOWGQQB-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(Cc3ccccc3)n2)c1 1868201026 MZOBAYJGTKHSLV-DEOSSOPVSA-N 448.530 4.656 30 10 IJEE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3cccc(C#N)c3)nc(C)n2)cc1C 1868466930 JCGRFNHAGWLUAR-OAQYLSRUSA-N 427.508 4.569 30 10 IJEE CCCCCCCCCCn1cc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c(O)cc1=O 1870117836 JPCGKGHYKNJBNN-JOCHJYFZSA-N 448.991 4.811 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)noc2C)cn1Cc1ccccc1C 1870563361 WQLNQMPNGRIXCC-UHFFFAOYSA-N 433.552 4.563 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1cc(C)ccc1C 1871197939 HAWQVKCILYCMME-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3C2=O)c1 1871375202 YRDOTCMXHRWGET-JJFYIABZSA-N 431.400 4.747 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4OC)ccc3C2=O)cc1 1871458380 BULHVVHOBQOWTI-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872005441 UYADFTRSPKEADM-NZQKXSOJSA-N 428.598 4.924 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccs2)cs1 1872771480 VLVPPIZGZRZGBR-LBPRGKRZSA-N 436.345 4.785 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(=O)OCCCC)=C(c2ccc(C)c(C)c2)C1=O 1873364260 SAHCBBJYLIEBDW-UHFFFAOYSA-N 432.520 4.638 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874279993 YGXLYDOIIXQEDT-FSJBWODESA-N 449.363 4.517 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)cc1 1874302729 NHDKOBATBFFZLT-JVWAILMASA-N 447.539 4.976 30 10 IJEE CCOc1c(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCC)cccc1OC 1874339952 VVSVTMQEHRBKDD-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(F)c2)cc1O 1874411637 FNWYMSCHAGAAGZ-FSJBWODESA-N 440.525 4.655 30 10 IJEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1O 1874416933 PEJGDLLEVRGDQL-NLRVBDNBSA-N 444.560 4.800 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)C)cc1 1874517206 OEMKYJRSOCTSOH-BFTFCADCSA-N 435.597 4.816 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCCCO 1874578390 LUWUXYPXFIOZNV-VMPITWQZSA-N 425.706 4.768 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC 1874602946 HGFUCTQRCVMYSC-FERCGXDMSA-N 445.515 4.856 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1874628315 XIHKKPTVXPNMJU-VQHVLOKHSA-N 445.943 4.775 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c(Br)c2)c1 1875144863 SEBAVJUUKARCKN-FPYGCLRLSA-N 431.282 4.678 30 10 IJEE C=C(Cl)C[C@@H](N)[C@@H](O)c1cc(Br)cc(Br)c1OCCC 1921887719 DTGVASMLMXOQBT-OLZOCXBDSA-N 427.564 4.504 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 2008463822 FWYIJXSNMAMCIO-WHSLLNHNSA-N 434.541 4.606 30 10 IJEE C#CC[C@@H](C[C@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2020078779 OJGNJBUFZRELLZ-KMDXXIMOSA-N 428.617 4.904 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2038661370 IOXHLDZMQUFMSB-IZZNHLLZSA-N 439.600 4.884 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 2102884019 LZYPGZHSNHXDMJ-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCNc2ccc(C#N)c(Br)c2F)C1 2106042812 QDSQMKBQAFHOCY-CYBMUJFWSA-N 426.330 4.909 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OC)c1Br 2142370455 XCSYTJHKADNBCO-CRAIPNDOSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1c1ccc(C#N)c(Br)c1F 2174768570 UPELPEWVWBDQAI-QEJZJMRPSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1C#N)c1ccccc1 2181142691 ZELZDZYDZVLWIL-KRWDZBQOSA-N 430.302 4.525 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2219967434 HJPPIGPJXNMYQN-IFMALSPDSA-N 441.446 4.863 30 10 IJEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2220069458 YUVOGVWIFZXNNQ-OAQYLSRUSA-N 440.462 4.532 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C 2221710746 ADWKDHGUDUVZRG-BJKOFHAPSA-N 439.600 4.659 30 10 IJEE N#C[C@@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 2243917529 UEFFGUFMLQRPNV-RUZDIDTESA-N 439.515 4.686 30 10 IJEE CC1(C)OB(c2cc(NCc3cccc(OCc4ccccc4)c3)ccc2N)OC1(C)C 2267835752 VKNVZAUELXHFCJ-UHFFFAOYSA-N 430.357 4.759 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@H](N)C#Cc3cccc(Br)c3)(CC1)CC2 2296216111 HLYPQJWOCYQMMJ-OSFYOIPJSA-N 433.390 4.746 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2296230771 WUUAHKLMSUNPJG-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296289086 NWMARJZPKDDQNJ-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC1CCC(NC(=O)OC(C)(C)C)CC1 2296311179 SXUYHEJXZKTUHV-LYBXBRPPSA-N 435.406 4.862 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 2297747596 JPJXQUVUDZEKHH-HXUWFJFHSA-N 447.362 4.675 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 2305321649 FOLDOQWFFRKXLB-NBGIEHNGSA-N 430.589 4.849 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2305322421 LCMOPRYAVQRTOB-RUZDIDTESA-N 428.573 4.842 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc(Br)c1O 2313557546 FZQHXBVUEJLOPP-UHFFFAOYSA-N 437.290 4.584 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2317355296 VDPOUVXAHOOXPF-UHFFFAOYSA-N 430.354 4.505 30 10 IJEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)cc1 2322119090 YXOYXVXCPLGMQJ-UHFFFAOYSA-N 448.563 4.648 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 2322236361 ZAIALRJKXNRWJE-UHFFFAOYSA-N 430.961 4.903 30 10 IJEE CC(C)Oc1cccc(C=Nn2c(S)nnc2Cc2ccc(Br)cc2)c1 2322238753 HBNXBSBXGJEKEP-UHFFFAOYSA-N 431.359 4.590 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccccc3[N+](=O)[O-])ccc2C1=O 2323379521 KGZGQOUXAJWYKB-UHFFFAOYSA-N 445.427 4.758 30 10 IJEE Cc1csc(SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)n1 2325213775 VTFZJJUUJMMUHZ-UHFFFAOYSA-N 426.210 4.806 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(C(=O)O)cc1 2325883302 WFDBSWPWNJRNDD-UHFFFAOYSA-N 446.532 4.745 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2c[nH]c3ccccc23)cc1OC 2325888821 JYYFTMUPCMNDRY-UHFFFAOYSA-N 449.580 4.946 30 10 IJEE COc1cc(C=NNc2ncnc3[nH]cnc23)ccc1OCc1ccc(C(C)(C)C)cc1 2328810568 FOILZCMVSPXISV-UHFFFAOYSA-N 430.512 4.684 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCO)cc1 2329143427 WGFVSGGEPXHWLI-UHFFFAOYSA-N 444.988 4.668 30 10 IJEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccn2)cc1 2329302235 SGZPRUXGNHCEII-UHFFFAOYSA-N 429.549 4.873 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(O)c1 2331307187 PHTOJJUNNBVUOT-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)CCCSC)c(OC)c1 2331356067 KKBAQJQRSRLXPW-UHFFFAOYSA-N 444.549 4.966 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OC(C)=O 2331636354 KYKUCEKYJCNAIK-UHFFFAOYSA-N 425.264 4.841 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)C=Cc1ccc(F)cc1 2332188306 DKBYLJUKFQAGJW-UHFFFAOYSA-N 435.768 4.602 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339600810 UREVINGMPSXDEM-ASLVEYIASA-N 444.381 4.751 30 10 IJEE N#CC1([C@@H](O)c2sc(Cl)cc2I)C[C@@H]2CC[C@H](C1)S2 2340981030 FIRUFCPBXZBRHG-HKVFEXHYSA-N 425.744 4.607 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2358671895 PASYUSMMQGUJKX-CMKODMSKSA-N 435.406 4.862 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CCc1ccc(OC)cc1Br)NCC 2364846147 HQIPHFJKKOWENP-RBUKOAKNSA-N 441.410 4.838 30 10 IJEE C#CC(C)(C)C[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366701220 GIGCGDYLOQNZCJ-SNVBAGLBSA-N 426.703 4.588 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)Cc1cscc1F 2377311709 YABUWCGRZONQIQ-UHFFFAOYSA-N 440.187 4.581 30 10 IJEE CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@H]1C=NN(C)[C@@H]1C 12406800 RERQDWLOTGXDHK-UZEJHQAJSA-N 436.600 4.973 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccc(F)cc2)n1)N(c1ccccc1)c1ccccc1 21077213 KAWVSUXZKOOKFH-MFKUBSTISA-N 446.511 4.847 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OCC(=O)c3ccccc3)ccc2C1=O 33920885 NLZIKYUCWJRXFU-BRJLIKDPSA-N 446.455 4.590 30 10 IJEE CC[C@@H]1Oc2ccc(NC(=O)c3ccc(C#N)cc3)cc2CN(Cc2ccccc2F)C1=O 35909088 ZPMASOXEZCIUED-QHCPKHFHSA-N 443.478 4.649 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)c(OC)c1 41654653 NFEGBJZKHWNMRH-MYKKPKGFSA-N 447.462 4.811 30 10 IJEE CCC/C(C)=N/Nc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 59889774 CCUPOSBYOJCXRS-NUGSKGIGSA-N 434.875 4.796 30 10 IJEE N#Cc1ncccc1CNc1c(Br)cc(Br)cc1Br 61657266 NJIDBPQEGVPCLP-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE C=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 66062530 VNXUQEOWYMJHCA-LJQANCHMSA-N 429.520 4.793 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@H]2c1ccc2c(c1)OCCCO2 72460140 LLNKYGNYQPMIAQ-QHCPKHFHSA-N 442.519 4.765 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(O)/C=C/c2ccccc2)[C@H]1c1ccc(Cl)cc1 102903764 OXAJWMHQGZRGPP-HNTAREFTSA-N 438.955 4.660 30 10 IJEE COc1cc(/C=N/Nc2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169876937 XSGMIIKESQBOOT-ZMOGYAJESA-N 435.436 4.635 30 10 IJEE CCOc1cc(/C=N\Nc2nc(C)cc(=O)[nH]2)ccc1OCc1ccc(Cl)cc1Cl 169887610 MKPSFZPUJJCNRM-MYKKPKGFSA-N 447.322 4.809 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2cccs2)cc1 169921363 RCMVEJLVOLAYGB-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2OC)c1 169940694 MEUYZRFGVHCPPS-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)cc1 170018992 XAFLIWHGHWVQSZ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)cc1Cl 170144616 FXFZXCJAEASJDP-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(CCc4c[nH]c5ccccc45)CC3=O)n2)cc1C 170180152 PJYSBHXHCZXYLV-UHFFFAOYSA-N 428.561 4.663 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)c(C)c1 170188384 RASRMYAQWCQVFS-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)s1 170203918 QXKQGVOAFWXGSU-KRWDZBQOSA-N 425.897 4.591 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(O)c(Cl)c1 170220226 UCJWDKLQPUGINR-HXUWFJFHSA-N 429.900 4.741 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1 170227231 QQCQMKRHFNNXCS-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccccc1F 170251986 NFLDYBRLZMOHTP-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1c[nH]c2ccccc12 170255942 WCZWHHDJRIUTNX-HSZRJFAPSA-N 446.503 4.708 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2sccc2C)ccc1Cl 170313120 NDJGSWFTYNRIEQ-GOSISDBHSA-N 449.956 4.722 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1O 170322801 JSMPSBXKWFFJIR-XMMPIXPASA-N 447.531 4.801 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccncc1 170386340 MBEYXFCOZGFVJO-LJQANCHMSA-N 441.270 4.877 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 170425096 XWJYSJJJXVBRAF-NRFANRHFSA-N 443.528 4.754 30 10 IJEE CC(C)(C)Oc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(O)cc1 170447810 OFPBTOGSCUARRH-QFIPXVFZSA-N 447.487 4.941 30 10 IJEE C=CCOc1ccc(CN[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 237273575 HNIJUDADABUOCU-RUZDIDTESA-N 437.561 4.543 30 10 IJEE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=S)NC3CCCCC3)cc2)cc1 254306915 DSBQURVMBNENMM-UHFFFAOYSA-N 439.581 4.825 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(C(F)(F)F)cc1 462079562 GBVRPQQUXOTFTQ-LJQANCHMSA-N 440.429 4.987 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)cc1 475451054 XUXJWUMCDJWOGP-KRWDZBQOSA-N 430.508 4.949 30 10 IJEE COC(=O)c1csc(-c2cccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)c2)n1 477791667 BSXZZBMZOOUXQP-UHFFFAOYSA-N 445.460 4.537 30 10 IJEE C=CCn1c(N2C[C@@H](C)O[C@H](c3ccsc3)C2)nnc1C(F)(F)Oc1ccccc1 508938556 KQOWUKZUXHVUAE-QAPCUYQASA-N 432.496 4.620 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 521710374 HWUUISOERRBXDL-INIZCTEOSA-N 429.546 4.503 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])o2)c1 526517165 TYYSQYVWZRTTBY-QFIPXVFZSA-N 445.431 4.905 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OCC)cc1 526829212 WVOIRJMKCLDKTP-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE C=CCn1c(SC[C@@H](O)COC)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 540724261 DANGKLNYKYLKAO-IBGZPJMESA-N 446.576 4.754 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C 548916592 AGVYAPAJHQFJRV-UHFFFAOYSA-N 446.530 4.528 30 10 IJEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 558996985 AAJUJOJRBOZTIP-LJQANCHMSA-N 429.446 4.513 30 10 IJEE CCOC(=O)C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1 609643189 ARBDSDZVHJZEIS-DEOSSOPVSA-N 428.488 4.562 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 735309885 MUDJSAQZSQSCJW-UHFFFAOYSA-N 433.339 4.636 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 744028053 FBTCTKIHQRHVDT-GOSISDBHSA-N 447.514 4.616 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 767230438 LZZSADXRNCDUBX-HSZRJFAPSA-N 446.551 4.623 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)CCCN1C(=O)OC(C)(C)C 790508754 SRPFFHMEXSCYFL-STWLZBDKSA-N 428.573 4.616 30 10 IJEE C#CCN(C(=O)c1cnn([C@@H](C)CC)c1C)[C@H]1CCOc2ccc(Br)cc21 790636237 ZUMNXWHLSBPFNF-LIRRHRJNSA-N 430.346 4.524 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 806237902 JLBLQEMHUPRKCU-UHFFFAOYSA-N 440.330 4.871 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 811953045 IIMXPCQBMKLXFI-YVWKXTFCSA-N 430.545 4.733 30 10 IJEE N#Cc1nc(/C=C\c2ccccc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 1081077606 LVIMVHQCQPWQPU-ZQQXLHKVSA-N 434.927 4.855 30 10 IJEE C=CCN(C(=O)c1sc(N(C)C)nc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124415040 GOJJFJXBVCTFOO-UHFFFAOYSA-N 449.945 4.727 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cncc3nc(C(F)(F)F)n(C)c23)c1 1125841804 ANUDTVPHLOQUQO-UHFFFAOYSA-N 434.421 4.815 30 10 IJEE C=CCOc1cccnc1C(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1127728388 PZQCTJRLBRTAQS-OAQYLSRUSA-N 447.535 4.795 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Br)c1ccccc1 1133168077 LACJSXRCZYWRCS-LJQANCHMSA-N 436.371 4.680 30 10 IJEE C#CCCOc1ccc(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)cc1 1136420172 CYQBDKDSXZEZJI-QFIPXVFZSA-N 432.486 4.920 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1F 1189245505 FMUMSEQHMRGEIP-OAHLLOKOSA-N 440.340 4.688 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 1219437049 CHQGXGUXFNUBET-IFXJQAMLSA-N 436.434 4.827 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 1221992755 FNJRBGGDHUZDSZ-QHCPKHFHSA-N 446.469 4.904 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C 1251831406 XCDXNYCCIXZGRJ-MDNUFGMLSA-N 435.568 4.664 30 10 IJEE C=CCc1ccc(OCC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c(OC)c1 1264961506 ZBLOAXOMEUNVSO-JOCHJYFZSA-N 442.987 4.627 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)c1ccc(Cl)cc1F 1275497746 ITJYNUCBWBXKQG-QHCPKHFHSA-N 446.913 4.993 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnc(C(C)C)nc1 1286342728 DQXOTZMTJOXPHB-UHFFFAOYSA-N 438.963 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1286564582 NRAOZBXITCDAFM-NQIIRXRSSA-N 434.506 4.867 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2[C@@H]1CC 1286603772 KQPKTXLZTIKNIL-NRFANRHFSA-N 433.581 4.985 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H](C)C1 1286738849 GETBCJNNXLRGSW-PZJWPPBQSA-N 436.556 4.863 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@H](SC)C(C)(C)C 1286740607 QZVVQLWTLBEQFN-FPOVZHCZSA-N 444.645 4.761 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCc1ccsc1 1286742029 GLXWPQKWSYXJGD-UHFFFAOYSA-N 428.565 4.652 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@H]1CCCCC1(F)F 1286747673 OUHWRGQULPPSMF-GOSISDBHSA-N 442.489 4.892 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(F)(F)Br 1286756050 PDBCWFRHEOITPU-UHFFFAOYSA-N 447.711 4.773 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC(C)(C)O1 1289030975 GFOWFLDFLBPWSP-QGZVFWFLSA-N 429.515 4.646 30 10 IJEE CN(C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1Cl 1290013288 IFESREMZWXOAPM-DEOSSOPVSA-N 433.939 4.823 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1291941109 CINJOBFTGRZECS-RDGATRHJSA-N 434.588 4.788 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCCCC2)CCS1 1293559494 BSZOFXNRFIMNMK-OAQYLSRUSA-N 439.629 4.745 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](OC)C(C)(C)C1 1300347751 DUGDXQSRGPLTPT-SFHVURJKSA-N 449.368 4.511 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCN1CCC(C)CC1 1300441659 VWTNDAJQNBIXRR-FQEVSTJZSA-N 439.673 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(Cl)s1 1300591981 XYMMZXDCLUGYKK-UHFFFAOYSA-N 438.984 4.700 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCCn2ccnc2C)CC1 1301095062 AKYZATWLNIRHNJ-UHFFFAOYSA-N 440.979 4.652 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCN2CCC)CC1 1301113730 DHVKQSLYHIEFHH-HXUWFJFHSA-N 429.012 4.660 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2Cc2nc(C)cs2)CC1 1301119672 RSMWBMNEBMAYIE-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1301207484 WUXBKIWAGYHXHS-GOSISDBHSA-N 440.588 4.954 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](OC)C(C)(C)C1 1301208840 GKWLWVBFACTLMZ-QGZVFWFLSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1ccnc(OCC(F)(F)F)c1 1301354563 DBRNPAILXAQIPY-UHFFFAOYSA-N 449.452 4.557 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1301372262 VUDVIOVHCTUVPR-FDFHNCONSA-N 429.653 4.701 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCCOC)C1 1301542937 UCRAARLNEIDNFE-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301601004 LRZJDMZUPNFFHV-BBRMVZONSA-N 446.926 4.674 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cc(C)on1 1301601015 LUOJQDZQEDYGET-OAHLLOKOSA-N 443.642 4.983 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1 1306318137 FDQPCEHMPKMUQH-KNQAVFIVSA-N 432.572 4.872 30 10 IJEE N#Cc1nc(NC(=O)N(CCc2ccc(F)cc2)C2CCCC2)ccc1Br 1311071573 HMTPHIROEVCSPK-UHFFFAOYSA-N 431.309 4.874 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCCc2c1ccc(=O)n2C)c1ccc(C(F)(F)F)cc1 1312342156 MSEBWTIVAOYPEB-MOPGFXCFSA-N 433.474 4.788 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccc(C(F)(F)F)cc1 1312344448 YXKXBPDFQZVVJF-MJGOQNOKSA-N 425.495 4.659 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 1312961044 VWMQTKDIHXVENY-AREMUKBSSA-N 433.552 4.555 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 1353507542 GKVPMKBMVNIFAR-UHFFFAOYSA-N 425.532 4.849 30 10 IJEE C=CCN(C(=O)c1cc(F)ccc1CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1354201840 DTEZDKSWDKTRRD-UHFFFAOYSA-N 444.553 4.748 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CCCN1C(=O)OC(C)(C)C 1356019842 AFNHJVOWVKZSSC-QFIPXVFZSA-N 429.517 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cccs1 1358877675 IWJRZHIQSPOTKD-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCN1CCCCC1 1359015723 CDMXNLLFMYFASM-UHFFFAOYSA-N 435.547 4.501 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC1(SC)CCC1 1359017898 VSXDTNFNAXKFKD-UHFFFAOYSA-N 440.613 4.995 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(OC)C1CC1 1359063814 FEQDMJVIDGUKSC-GKBBYZSKSA-N 436.600 4.842 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(F)F)C1 1359094283 ZABIUZXBMGCOOQ-HKBOAZHASA-N 430.543 4.970 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CCC)C1 1359128851 HYIORMJIZLIKJG-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC1CCOCC1 1359145033 COZJOTLEDYYRTL-UHFFFAOYSA-N 442.947 4.732 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1359161494 GFXCQTVVMYZQFI-LSDHHAIUSA-N 437.407 4.741 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1359200824 SCJHGAZTBDEEBU-UHFFFAOYSA-N 430.556 4.552 30 10 IJEE 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GGGWGBRELWXGPR-GGAORHGYSA-N 431.536 4.599 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C)c1ccc(Br)cc1 1583565352 GWXTWCCZFFJGKP-ROUUACIJSA-N 449.389 4.665 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CSCC(=O)Nc1cccc(Br)c1 1585974484 YDSZIXKGFFHMSS-UHFFFAOYSA-N 439.419 4.716 30 10 IJEE C=CCOCCNC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1586936514 RKHFUCGMOSJSIV-UHFFFAOYSA-N 427.342 4.849 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C1CC1 1587562235 MVDMLOJLYYNOQE-IPMKNSEASA-N 444.023 4.629 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1cccs1 1587580391 PHSDHKJTUTZQOT-VBURHUQHSA-N 440.638 4.559 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCO[C@@H]1C(C)C 1587932706 ZKSZYNWWODWMQH-NJNPRVFISA-N 426.630 4.652 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCc1cccc(C)n1 1588549888 ATWCDPZYTUALKY-UHFFFAOYSA-N 433.575 4.982 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@H]2CCCO2)CC1 1593722478 QUAIJYFDOUOLFG-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)CCC 1593914092 AKBCYMWOPPEDAO-AWEZNQCLSA-N 427.774 4.997 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1594064860 UTAFSSAPJRBWCU-UHFFFAOYSA-N 434.853 4.612 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCSc2nccs2)CC1 1594102256 FQVYDQAKUYJEEN-UHFFFAOYSA-N 441.626 4.673 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2nnc(C)s2)CC1 1594134264 OJOJWGPAVCCCIB-UHFFFAOYSA-N 447.033 4.783 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnc(C)s1)c1ccccc1 1594544026 GZJSZLJDUGTZPY-SFTDATJTSA-N 437.613 4.933 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(CC)c1 1594693068 OSDLWESJVYJDLM-UHFFFAOYSA-N 435.395 4.588 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)OCc3ccccc3SCc3ccccc3)CC2=O)cc1 1595480345 FCSSZSLCILOCTM-JOCHJYFZSA-N 442.540 4.947 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2CCCC[C@H]2C1 1595507154 XXFFNQKKAAWJHI-CVEARBPZSA-N 448.398 4.571 30 10 IJEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)cc1 1595890928 GCFTZTXDTBDIOM-QLFBSQMISA-N 445.610 4.635 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(C)o1 1595896110 UYWAITQKWZUBEE-SFHVURJKSA-N 429.615 4.796 30 10 IJEE C=CCOc1ccccc1CNc1nc(C(F)(F)F)ccc1I 1611990299 HZWGIAJFKBAZPL-UHFFFAOYSA-N 434.199 4.882 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1621507805 RKZRWHYGDIWMRT-FQEVSTJZSA-N 440.971 4.804 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(Cl)cc(Br)c1N 1627290712 CIVDYKWEINUAMO-UHFFFAOYSA-N 425.758 4.681 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1633060232 RQXSOQAEVVGWFI-FHWLQOOXSA-N 440.506 4.898 30 10 IJEE N#Cc1ccc(N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1Br 1639481720 AMSIVPXJWWIMTL-AWEZNQCLSA-N 426.236 4.910 30 10 IJEE COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)NCC2(C#N)CCC2)s1 1643011524 HCTJCIXUKGKCBK-UHFFFAOYSA-N 432.549 4.915 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccccc1F 1643490580 CAOBHXQCOWKARM-SFHVURJKSA-N 446.910 4.960 30 10 IJEE N#Cc1ccc(CN(Cc2ccc(CN3CCOCC3)cc2)Cc2cccc(F)c2)cc1 1644804062 HGPJIXUIKXTSQB-UHFFFAOYSA-N 429.539 4.732 30 10 IJEE CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCCC(C)(C)[C@@H]1C#N 1654371731 DHWOVRWCIFFSIA-IBGZPJMESA-N 425.554 4.544 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCN2C2CCCCC2)cc1OCC 1658297266 AQZSOSQADIWFJZ-IBGZPJMESA-N 437.422 4.909 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC3CCN(C(=O)[C@H](CC)c4ccccc4)CC3)cc21 1664929395 MIEJJWZHRTVVBY-HSZRJFAPSA-N 445.567 4.529 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 1665181626 SYXJIBPLNCRSHV-UHFFFAOYSA-N 441.597 4.556 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)cc1 1665969953 UPGZJVCSCMKHST-RTWAWAEBSA-N 441.597 4.731 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC)c1ccc(Br)cc1 1670206897 WYGAZZGPNVXDNW-IBGZPJMESA-N 440.341 4.634 30 10 IJEE NC(=O)Nc1cc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)ccc1F 1671610452 HMZHDHOSJPUZBU-CYBMUJFWSA-N 438.303 4.760 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)c1ccc(Cl)cc1F 1674035947 HVDUIKWKDNBWMN-YGOYIFOWSA-N 439.962 4.850 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 1674753234 FUBJCGFOPMPARW-IUODEOHRSA-N 447.283 4.929 30 10 IJEE C=CCC1(NC(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CCCCC1 1675195165 GNMMMJZWODENJF-QGZVFWFLSA-N 429.565 4.602 30 10 IJEE COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1680010226 HXNIWGTVBKGNST-SIBVEZHUSA-N 442.563 4.897 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3)CC2)cc1 1680388993 AYGKXCCJDWWAKR-LJQANCHMSA-N 426.923 4.519 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1)c1ccc(Cl)cc1F 1680396614 IYLMQEAQBANFSP-NQIIRXRSSA-N 430.907 4.519 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(F)c(F)c1 1681556944 OLLMGAALOFWPLM-MDYRTPRTSA-N 437.531 4.774 30 10 IJEE C#C[C@H](NC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCCCC1)c1ccc(Cl)cc1 1683675599 CWMFAEGTPYUXNT-IBGZPJMESA-N 433.980 4.883 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)Cc1cccs1 1689833203 FQIPNZVJWJHMBT-HZPDHXFCSA-N 430.524 4.945 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1689888146 BHHLLSKNRODJDW-SFHVURJKSA-N 427.618 4.681 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)c1nccs1 1690027889 CFFUMDTUDVGEIM-INIZCTEOSA-N 442.013 4.557 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C(C)C)C1 1690161570 JUMVFENIAGOBIS-SFHVURJKSA-N 447.446 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1690190510 XHFOUJHNNMBDAI-NTKDMRAZSA-N 429.609 4.573 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCCCC1 1690258526 JIGZSNAKAZDJCY-UHFFFAOYSA-N 433.394 4.805 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC(C)(C)C 1690469202 HNEKNOAPNDVIRY-IBGZPJMESA-N 449.640 4.958 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(Br)c1 1690503062 ODGXOQAYNPTFCN-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCO[C@H]1CCCC[C@@H]1C)C1CC1 1690547049 SNFOZVNSOIYBJN-JTSKRJEESA-N 430.543 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1ccccc1C 1690586727 UHTNOWANAYUUNY-UHFFFAOYSA-N 442.361 4.602 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)SC 1690601742 BIPSXTGIKTWETN-QGZVFWFLSA-N 428.005 4.980 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1Cc1csc(CC)n1 1690602723 VKDGLUZFVPLDTP-UHFFFAOYSA-N 430.581 4.642 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCSC1 1690609519 RHLNSBMJPGKVEU-LJQANCHMSA-N 440.588 4.979 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)C)C1 1690687978 LXZLNWPWHMDJSA-QHCPKHFHSA-N 449.599 4.559 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccco2)C1 1690711532 CLGCDUPNBZPPRR-JOCHJYFZSA-N 436.556 4.577 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C)C1 1690736818 PQWSJDWBEVYAJP-CYBMUJFWSA-N 427.437 4.925 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1690742570 UTDYZHNCNJRVHO-KRWDZBQOSA-N 447.599 4.626 30 10 IJEE C=CCSCCn1c(N2CCc3cccc(Br)c3C2)nnc1C(C)(C)C 1690750350 HFZGCIZBJYRKNG-UHFFFAOYSA-N 435.435 4.820 30 10 IJEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(Cl)s1 1697581954 DIRBBSUUEVSERY-UHFFFAOYSA-N 441.988 4.771 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ncc(CC)s1 1705481979 PWZKPABAWHRDTC-INIZCTEOSA-N 439.654 4.995 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC(C)(C)C1 1705540319 UYFDTWYGCLOEMD-OALUTQOASA-N 429.609 4.636 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOc1ncccc1Cl 1705607449 DGSDAPJAXFTUFK-UHFFFAOYSA-N 437.975 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705695095 VGIGCFABQYXELU-IGKWTDBASA-N 431.584 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ncnn1C(C)(C)C 1705712062 JROHHNOYKFVONI-UHFFFAOYSA-N 431.947 4.535 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](CC)C1 1705732361 XBMYRPASTCOXED-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)[C@H](C)CC 1705835221 DNSOIGJTYQRFPZ-MWTRTKDXSA-N 425.602 4.796 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCCN1CCCC[C@@H]1C 1705839112 NUCVSIWGARHAAG-SFHVURJKSA-N 446.437 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1C 1705864916 BJRMYRVQUYFUNC-WIYYLYMNSA-N 433.581 4.743 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C)c1 1705868356 KCPBOYGFUGQZPW-UHFFFAOYSA-N 446.624 4.945 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC[C@@H](C)C1 1706072009 BFWCKHBEYBNFQL-MSOLQXFVSA-N 429.012 4.705 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@H](SCC)C1 1722337510 CEZYYYAREMPXAQ-QFIPXVFZSA-N 426.630 4.999 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1722502070 HWXAOXACIUFFGH-NTKDMRAZSA-N 440.588 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CC12CCOCC2 1722502347 UBHDRYNIVWPAMJ-OALUTQOASA-N 428.552 4.776 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1722554189 GTIBHGZJUPVZBL-UHFFFAOYSA-N 428.964 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCC[C@H]2C)CC1 1722563140 UKMVEFIOKHSZLW-QVKFZJNVSA-N 449.368 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722587270 JAWHFDKZSINAIQ-UHFFFAOYSA-N 447.583 4.848 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(C)C)CC1 1722589209 DOXQANHPYSNMNO-UHFFFAOYSA-N 425.621 4.546 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 1722597142 QUXISYGUPLOXNK-JTHBVZDNSA-N 448.615 4.503 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722609177 AEOJTJRQFYSLJK-MSOLQXFVSA-N 448.976 4.694 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722612251 SPPPVFXDPXNOPZ-UHFFFAOYSA-N 442.926 4.542 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@](C)(O)[C@H](C)CC 1722666099 JNXRGHOMZDMTTD-IERDGZPVSA-N 433.394 4.683 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1Cc1cccc(Cl)c1C 1722676996 QHQWJXSZNGVWLX-UHFFFAOYSA-N 434.931 4.573 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)COCC2 1722677199 WRFRNOPBEXQAID-UHFFFAOYSA-N 434.584 4.816 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 1722719958 CXLWDSNZMYRQQM-VWPQPMDRSA-N 444.645 4.553 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N)N1CCCC1 1727245662 BXSGDZVFHCCEFR-RDJZCZTQSA-N 435.403 4.722 30 10 IJEE COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2ccc(Cl)s2)c1 1730007188 CENLMPWSKXWBSH-AWEZNQCLSA-N 445.976 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)Cc1ccccc1 1740539602 QEFWFOGNLSMOPB-UXHICEINSA-N 447.652 4.721 30 10 IJEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cc(Br)cs1 1740603329 OIWUMJFPHPHYCR-UHFFFAOYSA-N 427.327 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CC(F)(F)CO1 1740727944 GJWVNEQQFHQYDW-AUUYWEPGSA-N 441.309 4.668 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740748306 CYCZNJKSUCYGFM-IYBDPMFKSA-N 449.393 4.647 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1740758257 VNZWMQZNBPRFIV-YLJYHZDGSA-N 445.489 4.910 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(C)CCCO2)CC1 1740828685 TWTHQBLDXKTDLH-DEOSSOPVSA-N 445.007 4.977 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1740833955 ZUZCYVUOVVCMJM-FQEVSTJZSA-N 429.653 4.618 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC(C)C)cc1 1740905342 SRPJSOOJWUHXCL-FGZHOGPDSA-N 426.605 4.902 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 1740911281 YXYSMGWJXFMGIA-CMKODMSKSA-N 443.636 4.525 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC2CCCCC2)C1 1740974952 KNALGJIAUPNWJO-HXUWFJFHSA-N 445.995 4.514 30 10 IJEE CC(C)CC(=O)Nc1cccc(Cn2c(N(CCC#N)CC3CC3)nnc2C(C)(C)C)c1 1741417537 DTARQDIZNQRXOO-UHFFFAOYSA-N 436.604 4.739 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1748890783 WAHVRDPJUQMYRH-GMAHTHKFSA-N 435.641 4.543 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1c(C)sc(C)c1Br 1748936264 SYQTVKOYXILBQU-UHFFFAOYSA-N 435.435 4.959 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1748940859 SFWOVTXQVGBRNT-OYRHEFFESA-N 425.596 4.548 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C)(C)CC1 1749124756 OZWSVOPWWDBSBI-XMSQKQJNSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCOCc1ccccc1 1749182382 XLZDAKJGFGXAGF-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCSC(CC)(CC)C1 1749218629 QYHSZZWVLZVSOH-UHFFFAOYSA-N 436.025 4.698 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749460992 LMFNJXVNKXMXOP-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(C)C1CCCCC1 1749474398 SGIHZHBXCKLCRN-UHFFFAOYSA-N 432.012 4.884 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC1(C)C 1749592630 SAHVBUIIOHRFTH-AWEZNQCLSA-N 437.357 4.532 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@@H]2C)C1 1749696113 QCZALWORZHUWSB-ILZDJORESA-N 432.515 4.764 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCc1cccs1 1760130370 JBVXTOBOEPLNKN-UHFFFAOYSA-N 446.418 4.970 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC(C)=C(Br)C1 1760141678 DZEQXJRLFUKRFD-UHFFFAOYSA-N 447.352 4.679 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](CC)C1 1760145233 KNQPGCFQRNMPMV-ICSRJNTNSA-N 430.980 4.717 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(C)(C)C1CC1 1760172881 CCDZDOMQRADGAL-UHFFFAOYSA-N 431.378 4.612 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCCO1 1760225597 UGCXHRQMJQACPE-UYAOXDASSA-N 430.980 4.717 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1760246057 JFYUYHNLJCMJRL-RXVVDRJESA-N 445.007 4.526 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccoc1C 1760273723 AQHYBSHJYACSBW-KRWDZBQOSA-N 444.988 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCC1(F)CCC1 1760297663 DADZMFXCTOOXFL-HSZRJFAPSA-N 426.536 4.530 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc2cnccc2c1 1760308441 FOCHNHZUPPXGRI-UHFFFAOYSA-N 428.378 4.960 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1760347757 VIQXPBPQRNWXFX-JOCHJYFZSA-N 436.556 4.829 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)cc2OC)CC1 1760384161 MFXVAPWYBBOPRD-UHFFFAOYSA-N 442.361 4.557 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(F)(F)Br)CC1 1760392324 MLNVIHHYJINTBC-UHFFFAOYSA-N 447.711 4.655 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2CCCC2)CC1 1760406188 WAXXTQHTZCGRBS-FQEVSTJZSA-N 429.609 4.943 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN(C)c1ccccc1 1760432988 XVULADIYFBZRPY-UHFFFAOYSA-N 443.393 4.575 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1nc(C)c(C)s1 1760492940 MJJYNFRDIXOHHD-UHFFFAOYSA-N 445.596 4.625 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N(C)Cc1c(C)nn(C)c1C 1760533409 GEWAWTHWWKVDGH-UHFFFAOYSA-N 448.615 4.611 30 10 IJEE CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(CC)CC 1765135647 BQQDGTMSLBGXOG-FGZHOGPDSA-N 432.572 4.872 30 10 IJEE CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1766012959 CBCIDFGDWUFSMY-FQEVSTJZSA-N 440.592 4.746 30 10 IJEE O=C(/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 1860724582 MXOYEODPPRNOBE-FPYGCLRLSA-N 443.175 4.597 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Br)cc2C)cc1OC 1860728300 HVUZUPJPDCKBGC-WEVVVXLNSA-N 432.314 4.776 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCC4(CC3)OCCO4)[C@H]2c2cccc(C)c2)cc1 1862475985 YOJRGQZMSUKGBK-QHCPKHFHSA-N 447.531 4.567 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccccc2Cl)ccc1F 1862503181 SBLSTENVYJSCNB-HXUWFJFHSA-N 431.891 4.528 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862536453 YJKZMMWQNRSALT-XMMPIXPASA-N 443.499 4.747 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862614887 HCPYOQNMPUJGHL-QFIPXVFZSA-N 432.520 4.690 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC)cc1 1862642448 FBUOAGFEUCJDJP-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(F)c2)cc1 1862687147 GVSSQUMADJKGJW-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863030136 YMAHKEGBGYTFHC-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE CC(=O)c1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1863136307 IFRKRJZOXYLTSU-UHFFFAOYSA-N 446.466 4.639 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1870152918 RWKUDCRXITZEAZ-LFIBNONCSA-N 435.487 4.678 30 10 IJEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1871007357 YLNKLSBRQYTFKA-UHFFFAOYSA-N 425.532 4.977 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871345266 BLMPRBHFOWBWMT-XKZIYDEJSA-N 435.501 4.604 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)s1 1871425000 CVSKGKICSGXWIZ-LSPINASFSA-N 435.505 4.513 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCC)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871906236 WQNBWZZTAZYMFR-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 1871968797 LWBODFNGDWBABG-QFIPXVFZSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 1872124818 GPGAOISEKAKAPI-INIZCTEOSA-N 440.915 4.694 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872146813 XOFWONWGEPJRMS-QFIPXVFZSA-N 429.586 4.765 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)c([N+](=O)[O-])cc1OC 1872766183 DQMNKTCMYJYJJL-AWEZNQCLSA-N 443.868 4.879 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N3CCCCCC3)ncnc2n1Cc1ccccc1 1873555377 VSNJVWNRHYTSGP-UHFFFAOYSA-N 429.568 4.674 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874405946 XJHBLOCIENCKMR-BUVRLJJBSA-N 442.972 4.644 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccco1 1874408993 ZTTHXWILCRVJKS-XQNSMLJCSA-N 431.606 4.617 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(Cl)c1 1874434621 OGMHVIDBMJHEDM-LGJNPRDNSA-N 449.967 4.895 30 10 IJEE CCCNC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874439226 QMBIIDQOLRSZTF-MFKUBSTISA-N 429.634 4.665 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 1874450045 SBKUUARMXGIDQE-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1O 1874466775 AIBCIMIJVHUUIE-SSDVNMTOSA-N 426.885 4.777 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1Cl 1874489077 ZDELMWJLLAKMOV-WYMPLXKRSA-N 445.951 4.882 30 10 IJEE COCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(C)C)cc1 1874499467 QZXDFUWVGMWREO-WSDLNYQXSA-N 425.514 4.631 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874524284 HBGUUWQABXENGW-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-] 1874608555 UUUJXLRIVXMEGO-MDZDMXLPSA-N 447.871 4.875 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)c1 1874694628 MUPKHSRSIBQPMX-RIYZIHGNSA-N 431.488 4.885 30 10 IJEE COCCC(=O)Oc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC 1874708801 VJTXRPZKTVAXGV-JXMROGBWSA-N 426.509 4.839 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC 1875152248 PCIJFLBPKNPWDJ-FNORWQNLSA-N 437.261 4.817 30 10 IJEE N#Cc1cccc(NC(=O)N2CCC(c3ccc4cc(Br)cnc4n3)CC2)c1 1890551740 AHSOPLPDHXQBIC-UHFFFAOYSA-N 436.313 4.675 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(C#N)cc1 1892144707 DDFWOBYROFIMDY-PMACEKPBSA-N 448.375 4.897 30 10 IJEE COCC(C)(C)N(Cc1ccccc1)Cc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 1915626107 XYQPWYLDRRDIRZ-UHFFFAOYSA-N 427.369 4.552 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H](C(C)C)N(Cc2ccccc2)C1 1922074998 SFONGMGVSSQIEK-KCHLEUMXSA-N 436.640 4.789 30 10 IJEE CC(C)[C@@H]1C[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942594305 QLWMYHQOXUSUPD-OTNCWRBYSA-N 427.589 4.595 30 10 IJEE N#Cc1csc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1951851814 AWVZPDSUEWEWLH-RTWAWAEBSA-N 444.512 4.669 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](CC#N)C1 1985178873 MDSHXQQCNGCYNL-WSZYKNRRSA-N 445.563 4.748 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2020307973 IXHQHYVDPCQFLY-HRAATJIYSA-N 436.557 4.853 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2ccc(Cl)cc2Br)C1 2063041383 RLOLRSJEIJFIFL-INIZCTEOSA-N 430.770 4.867 30 10 IJEE CCOC(=O)c1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079241490 PSQFGYLBHHGTNR-UHFFFAOYSA-N 449.120 4.988 30 10 IJEE COc1ccc([C@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)c(C)c1 2079936043 KDQLQFPOZGJVGF-LBPRGKRZSA-N 441.313 4.520 30 10 IJEE CCOc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080113256 MNOGJJBLQQWXNV-CQSZACIVSA-N 432.240 4.871 30 10 IJEE FC(F)(F)[C@@H]1CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093948418 HFBKJTBQVXCBFO-LURJTMIESA-N 441.043 4.853 30 10 IJEE CCCCCC#CC[C@H](NN)c1cc(I)ccc1Br 2139046242 KQXTXMJJEAUPBU-HNNXBMFYSA-N 435.147 4.532 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)cc(F)c2C#N)CC2(CCC2)C1 2174813810 ALIDOLAENRDFME-AWEZNQCLSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3ccc(C#N)c(Br)c3F)C(C)(C)[C@@H]21 2175897774 DEBSNYKYLPSNQX-CSMYWGQOSA-N 438.341 4.906 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)c(F)c2F)NCC)C1 2197750463 YYWSWPALSAPSSK-HNNXBMFYSA-N 445.348 4.861 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#Cc1cccc(Cl)c1 2212453066 PCVNOGCVMUSTMJ-HSQYWUDLSA-N 428.960 4.517 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCC12CC2 2214705723 AQYDOXVJSJOQEK-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C1(CC)CN(C(=O)OC(C)(C)C)C1 2235733432 UGEMRCDASRNBFE-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2ccccc2Br)c2ccccc21 2235747273 OPTSRWSCRGDBTO-IEBWSBKVSA-N 427.342 4.667 30 10 IJEE Cc1cnc(N[C@H]2CC(C)(C)CN(Cc3ccccc3)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2241048476 DQVCQAXDYOMBQO-OFNKIYASSA-N 449.448 4.790 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)s2)OC1(C)C 2255851613 SRCKGJJCNWIZBK-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C=C(CN(C)C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256629353 SVHAOTARIRZJEE-UHFFFAOYSA-N 430.354 4.602 30 10 IJEE CN(Cc1ccc(I)cc1)c1ccc(Br)cc1C#N 2265590505 ARWYXVMNXWJJTK-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267503221 ZTETZDMQCVCDOL-UHFFFAOYSA-N 436.405 4.811 30 10 IJEE C=CC[C@]1(COc2cc(Br)cnc2C#N)CCCCN1C(=O)OC(C)(C)C 2287688971 UHIQKKJBBCWHPG-HXUWFJFHSA-N 436.350 4.830 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccc(Cl)cc1 2296135844 DNFNOPFKYSIWDO-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1cncc(NC(=O)OC(C)(C)C)c1 2296220453 YIBDXCXPKAGGIM-LJQANCHMSA-N 430.346 4.893 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C 2296224415 JSKQCQMBBLHJQL-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@@H]21 2296231808 IAINARUSMQUWNY-NEWSRXKRSA-N 432.358 4.938 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(N)C#Cc1cccc(Br)c1 2296283256 DRKQQUVFMIMENZ-VGOFRKELSA-N 433.390 4.603 30 10 IJEE C=CCNC(=O)c1cc2ccc(OC(=O)C=Cc3ccc(OCCCC)cc3)cc2oc1=O 2314751239 YNIFZOPKMVFQFR-UHFFFAOYSA-N 447.487 4.507 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CC2)c1 2320909345 UMUMPWOKXYIDHH-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2ccc(OC)c3ccccc23)cc(Cl)cc1OC 2323018996 XJCIJEQPVAEYJO-UHFFFAOYSA-N 440.879 4.958 30 10 IJEE COc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 2325733041 WTZNYMCMEBUKGP-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(Cc2nnc(SC)n2N=Cc2c(OC)ccc3ccccc23)cc1OC 2326715691 QPGYKLGYNFROKS-UHFFFAOYSA-N 448.548 4.652 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)c1 2328082152 IFHLTIAEGBBTNJ-IRLDBZIGSA-N 441.959 4.652 30 10 IJEE OCCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2329607784 JCJZBXZHSVKOPA-UHFFFAOYSA-N 440.878 4.974 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2)c1 2330465534 YYIDVFHNNVTCMD-UHFFFAOYSA-N 441.560 4.790 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccnc1 2330639792 BVMRCLKZNLIRCV-UHFFFAOYSA-N 442.548 4.516 30 10 IJEE CCCNC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1c(Cl)cccc1Cl 2330825778 GQNCOXDQTMBVPL-UHFFFAOYSA-N 442.416 4.674 30 10 IJEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc2c(c1)OCCO2 2331434136 AQPQPXSDJABCNJ-UHFFFAOYSA-N 426.517 4.561 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)cc(OC)c1O 2331500272 QSSWVPIXNOYLGG-UHFFFAOYSA-N 442.516 4.582 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)COc1ccccc1 2331519858 YTMGKUSMARPUAL-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE CC(C)(CCCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2339540996 FHUSMNXDFDHECP-UHFFFAOYSA-N 445.413 4.644 30 10 IJEE CC(C)(C)OC(=O)N(CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339576094 DKEJNAZVMOOSGL-BUHFOSPRSA-N 444.381 4.895 30 10 IJEE C[C@H]1[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339603211 WOGJTJVPZYOBDR-PKOBYXMFSA-N 444.381 4.893 30 10 IJEE C=C([C@]1(OCCC(=O)O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1)[Si](C)(C)C 2370745047 SKJMEWCVAVBHRB-OFNKIYASSA-N 433.621 4.717 30 10 IJEE C#Cc1c(F)cc(NCc2ccc(I)c(Br)c2)cc1F 2377311469 VSAMPJLHUINGFQ-UHFFFAOYSA-N 448.048 4.925 30 10 IJEE CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@H]1C=NN(C)[C@@H]1C 12406802 RERQDWLOTGXDHK-FUMQJTLXSA-N 436.600 4.973 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc(N(C)C)cc2)C1=O 27533718 UFAZGRBOYYUBNS-QGOAFFKASA-N 428.941 4.950 30 10 IJEE CCC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccc(C#N)cc1 32997310 LEUDWKRTGIJYSU-QHCPKHFHSA-N 445.548 4.993 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)c(OC)c1 33904340 LMFTUCGSCRFBMF-GSLOEYPVSA-N 428.440 4.939 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C/c2ccc(OC)cc2OC)C1=O 36258247 QHXDYCHOOGVFME-XDHOZWIPSA-N 425.506 4.556 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)c3oc4c(C)c(C)ccc4c3C)c(C)c(C#N)c2=O)cc1 38624496 UWEJAIXXMHQQDD-UHFFFAOYSA-N 440.499 4.993 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CC=C)cc1OC 38706040 RDDBCLOMLRNIEP-RUZDIDTESA-N 445.519 4.704 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 41287703 PAFQQTDXDQHADJ-YVNNLAQVSA-N 430.412 4.568 30 10 IJEE COc1cccc(C(=O)CSc2n[nH]c(N/N=C(/C)c3ccc4ccccc4c3)n2)c1 59022015 UKDYYCQXKWPWAP-MYYYXRDXSA-N 431.521 4.778 30 10 IJEE COc1ccccc1[C@@H]1/C(=C(/O)c2ccc3ccccc3c2)C(=O)C(=O)N1c1cc(C)on1 102728453 WQHCTEIBJMKBRV-UGUGFTGJSA-N 440.455 4.771 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)cc1 169994106 RLPJKZHDUDCVCU-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCCOC)cc1 170033009 CYTWGLNHEAHTMH-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccccc2)cc1 170056096 NRBUIHRXQHZKQC-QFIPXVFZSA-N 439.471 4.663 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170059030 PFENJFBYRMLRGM-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(F)cc2)cc1 170061980 MGCILZJILSOBBA-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccco2)cc1 170097122 NFAXDJXDXMHXMH-JOCHJYFZSA-N 435.451 4.904 30 10 IJEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1cccc(Br)c1 170179847 KWERDHGWMWRPAX-UHFFFAOYSA-N 446.757 4.943 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)cc1 170264331 HQJUIXLWBLVIES-QHCPKHFHSA-N 435.520 4.948 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccco2)c1 170288003 BNXJBVHSAQWYHJ-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1C(C)(C)C 170292556 XCOMFUZRTJEKBN-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccco2)cc1 170297444 FJFZCMSIQZOADS-OAQYLSRUSA-N 443.459 4.728 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccco2)cc1 170297454 IWMAHTHSNBCBMU-OAQYLSRUSA-N 443.459 4.726 30 10 IJEE N#C[C@H](C(=O)c1cc(I)ccc1Br)c1ccccc1F 236174643 JMGPAHLADODAJC-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE CCCc1c(NCc2coc(-c3ccc(C(=O)OC)cc3)n2)cnn1-c1cccc(C#N)c1 447888416 KDNQSEIWIBGVMI-UHFFFAOYSA-N 441.491 4.750 30 10 IJEE CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 490664233 UQZBKQFAIGIHEB-HSZRJFAPSA-N 444.466 4.759 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)[C@H](C)c1cccc(Br)c1 506863542 XFRFOBHNMGJCBQ-OAHLLOKOSA-N 446.370 4.737 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508478853 UJFKYUCXSZTTIT-GOSISDBHSA-N 447.514 4.663 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 508816367 IALZGKAESUTSKA-UHFFFAOYSA-N 437.494 4.573 30 10 IJEE Cc1nc(CN(C)C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)no1 512807486 HNASMBBKNYJRQB-UHFFFAOYSA-N 431.374 4.725 30 10 IJEE C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 549253034 WWVQYZJVRNZONO-BUEREQSYSA-N 446.595 4.761 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 563846996 ZIPHDHHDQNZKMD-UHFFFAOYSA-N 447.608 4.568 30 10 IJEE O=C(C[C@H]1SC(=NN=C/C=C\c2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl 585657502 LWTVXADIWHQWKN-OXXYOQMYSA-N 447.347 4.609 30 10 IJEE C=C(C)CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OC(C)C)cc1 586149888 HOCLFJUCCVQZOI-UHFFFAOYSA-N 442.625 4.705 30 10 IJEE C=CCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586163115 ANLPBZRZROXUAT-UHFFFAOYSA-N 447.597 4.529 30 10 IJEE CCc1ccccc1N(C(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586299681 BBZRVLUKCQUMMA-UHFFFAOYSA-N 448.544 4.944 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC4(CC3)OCc3ccccc34)n2Cc2ccccc2)c1 619817708 QHURRXHSUPEWBW-UHFFFAOYSA-N 447.542 4.891 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705515123 SXJRQDPBZHEWBM-NQHRYMMQSA-N 436.596 4.905 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 735328382 AEHDAQNMVWFPMZ-JOCHJYFZSA-N 448.906 4.847 30 10 IJEE CCN(Cc1cccc(NC(=O)NCc2ccc(C#N)cc2F)c1)C(=O)OC(C)(C)C 735883851 IBLXKGGLOIISBC-UHFFFAOYSA-N 426.492 4.776 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)Nc1ccsc1)=C(/O)c1ccc(C#N)cc1 790117980 QSXDJIVPXVANRH-UHFFFAOYSA-O 428.946 4.898 30 10 IJEE C[C@H](NC(=O)[C@@H](C#N)C(=O)c1cn(C)c2ccc(F)cc12)c1ccc(Cl)cc1Cl 796891258 FERISLIXBOFDLF-ZBEGNZNMSA-N 432.282 4.824 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(CC)c2ccccc2)n1 1083944827 YUNJTIYRKJUMKZ-UHFFFAOYSA-N 440.598 4.874 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nc(Br)c3ccccn23)c1 1125713349 NQPPUHKBXAELGH-UHFFFAOYSA-N 436.334 4.987 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H](OC)C2(CC)CC)nnc1-c1ccc(Cl)cc1 1127454838 UEIBDBBLCFMOMY-MSOLQXFVSA-N 449.020 4.587 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC[C@@]2(C)CCCc3ccccc32)nnc1-c1ccco1 1127743034 PNYZWNSOTSYGFY-XMMPIXPASA-N 436.581 4.617 30 10 IJEE C#Cc1ccc(NC(=O)c2c(F)ccc(I)c2Cl)c(Cl)c1 1134435425 RNDVDIQICFNFTD-UHFFFAOYSA-N 434.035 4.971 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)CSc1nc2ccccc2nc1N1CCCC1 1141997284 CCEOJQXNSMXZCZ-UHFFFAOYSA-N 448.592 4.546 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 1142172966 FQHQBFLSHDQDTF-UHFFFAOYSA-N 440.908 4.577 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 1150561003 SCBKLJJXVBYKBA-KRWDZBQOSA-N 444.334 4.655 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 1157201831 KTQDJKYLVXSULG-PZJWPPBQSA-N 449.661 4.586 30 10 IJEE C=CCn1c(SCC[S@](=O)C(F)(F)F)nc2cc(-c3ccccc3)sc2c1=O 1165302946 GKFFWXPEPCSUDH-NDEPHWFRSA-N 444.525 4.672 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCC(=O)c2ccc(F)cc2Cl)s1 1168908344 XWFMIAQOJOUMNM-UHFFFAOYSA-N 433.357 4.630 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCC(=O)c2cccc(F)c2Cl)s1 1170287908 UMPBPFFODKQMNJ-UHFFFAOYSA-N 433.357 4.630 30 10 IJEE CC(C)Oc1cccc(CNC(=O)CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c1 1171389881 CWQAMEMVDFLNKA-QGZVFWFLSA-N 433.474 4.523 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCc2cccc(OCc3ccccc3)c2)CC1 1171843295 GTIBLMFQZKVTJW-UHFFFAOYSA-N 443.522 4.558 30 10 IJEE C=CCCn1cc(C(=O)N[C@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)nn1 1182482881 RJYYUCNCLIKNSE-IBGZPJMESA-N 443.473 4.780 30 10 IJEE Cc1cccc([C@@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)n1 1191529495 DQXMYULGHOJIHJ-QHCPKHFHSA-N 431.515 4.584 30 10 IJEE C#CCC1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)CCC1 1195197976 SBBLCANBYNFKMH-UHFFFAOYSA-N 438.318 4.605 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@H]1CCCO1 1197352817 YMOXARQWFRTMAA-RTBURBONSA-N 431.355 4.903 30 10 IJEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@](C)(Cc2ccccc2)c2ccccc2)cc1 1203384038 CHJCMISGUFNADQ-KBMIEXCESA-N 447.560 4.652 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1 1209662740 IBWOVLYRGVTTOX-NRFANRHFSA-N 432.973 4.562 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1219084489 NXHJDSVFFNGKJD-LPHOPBHVSA-N 444.373 4.798 30 10 IJEE C#CC1(NC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCCC1 1221530835 ARDQMVHPUJLIKK-UHFFFAOYSA-N 432.955 4.980 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1230826284 DTNWFXRWDJUSCY-YYWHXJBOSA-N 434.458 4.694 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cn1ncc2cccnc21)c1ccc(C)c(C)c1 1264254902 GSJOSKPOAVSIMC-UHFFFAOYSA-N 426.520 4.846 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C\c1ccsc1C(F)(F)F 1264280978 NUIXCYHPHRSFIZ-SREVYHEPSA-N 426.412 4.909 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(Oc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1264893081 MNJYCBPKDWIWDX-SANMLTNESA-N 434.536 4.888 30 10 IJEE C#Cc1cccc(N(CC)C(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C(C)C)nc32)c1 1264966441 YGXOJWFZVDPOMD-UHFFFAOYSA-N 428.458 4.916 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)cc1OC 1265315696 CLGFBAXLJUQLCU-YRNVUSSQSA-N 440.927 4.705 30 10 IJEE C#CCOc1ccc(COC(=O)Cc2ccc(Br)c(Br)c2)cc1 1268859678 QPGUDCOPQWMWHZ-UHFFFAOYSA-N 438.115 4.510 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCSc1ccccc1 1286452031 HLTMUEHUICQBMW-NHCUHLMSSA-N 426.630 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)Oc1ccccc1 1286569935 HHXBPRHKFFTOLH-INIZCTEOSA-N 444.377 4.906 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccccc2C(F)(F)F)CC1 1286647824 DQQNAWOLVOAGIQ-UHFFFAOYSA-N 427.474 4.682 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cc(COC(C)(C)C)on1 1286713869 JQOWAHVXXZLSNA-INIZCTEOSA-N 443.523 4.531 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)c1ncc(C)s1)C1CC1 1286733071 PAISIZFYBOPJRZ-HNNXBMFYSA-N 439.585 4.686 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1286755802 LDVVGJWJAMJBFC-UHFFFAOYSA-N 433.556 4.753 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cc(C(C)(C)C)no1 1286765941 WVGDQJDGODIRPX-UHFFFAOYSA-N 449.599 4.721 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1286834240 BAFVYOXTZRWWHI-IBGZPJMESA-N 425.602 4.520 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21)N(C)C 1287321322 FGCHLYGSLIYXNM-VXNXHJTFSA-N 434.632 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCCN1CCCC[C@@H]1C 1300321711 NCTZXXHGIVENNP-GOTSBHOMSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1300372570 IVOZXECXVGZMQJ-FQEVSTJZSA-N 442.991 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)noc1C 1300787994 PVFMBEIEVDRWBF-GAJHUEQPSA-N 439.947 4.717 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(F)c1 1300881292 NITXUDFHRCUVCR-PGRDOPGGSA-N 439.510 4.544 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)o1 1300884707 LXKSKMKINNBYJO-CRAIPNDOSA-N 435.366 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(C)C)C1 1300889494 QSDDJERNYZULJF-DPLHUUCSSA-N 426.580 4.862 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 1301016957 DFCJUWGMYUAJSN-JKSUJKDBSA-N 425.360 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301143004 AXKNLOUKLMPLBB-LJQANCHMSA-N 437.632 4.902 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 1301233360 ZESXOIJDRDORPE-UHFFFAOYSA-N 441.597 4.858 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H]1CCSC1(C)C 1301340564 IRNFAOWUQAVBPI-JOCHJYFZSA-N 444.608 4.936 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1C1CCCCC1 1301379968 XGXJPAGOAKETOO-NRFANRHFSA-N 441.023 4.969 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301436239 WNNCNFFOPSXEHD-QGZVFWFLSA-N 437.544 4.571 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](n3cc(C)cn3)C2)cc1 1301524693 DAMSWRIBNTYSIS-JOCHJYFZSA-N 448.615 4.826 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)c2ccc(C)cc2)C1 1301566481 OLAFJCLTHKFHMC-PGRDOPGGSA-N 437.613 4.527 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCSC1 1305601274 CBGJQLSMIFHIDL-UYAOXDASSA-N 427.618 4.744 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)C1 1306328092 HSHQHYJFBCWKOL-LZCXECNNSA-N 434.632 4.954 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)OC[C@H]2c2ccccc2)n(-c2ccc(F)cc2)c1C 1307495857 HBIVIFFTFAVAGZ-OSPHWJPCSA-N 446.526 4.505 30 10 IJEE CCSc1ccccc1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1307653374 FSDSFMBHCXSGBP-FQEVSTJZSA-N 430.415 4.944 30 10 IJEE CC1(C)Cc2c(Br)cccc2[C@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 1309533705 FJRTUKHZWPCWQD-QGZVFWFLSA-N 439.762 4.576 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1Br 1309583612 GKFRNQRLQUCOOH-XJKSGUPXSA-N 439.762 4.589 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2COC3(CCCCC3)O2)cc1F 1310362159 ADANXRLXGNIPEN-SFHVURJKSA-N 425.460 4.687 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccc(Cl)cc1 1312937019 MHQCJAGAJICLHW-XLIONFOSSA-N 438.890 4.793 30 10 IJEE CC(=O)[C@@H]1CC(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)=NN1c1ccccc1 1354566425 ABDILWUUVHBRJD-QFIPXVFZSA-N 442.450 4.652 30 10 IJEE CCCC[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 1357684569 BPFCUYDADNMLDZ-JOCHJYFZSA-N 438.959 4.739 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1 1358905162 UBXBNKAVNCTOCO-KRWDZBQOSA-N 427.936 4.808 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCc2ccc(Cl)nc2C1 1358915473 DZRZQEGSQMCCEE-UHFFFAOYSA-N 433.987 4.868 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](OC)C1CC1 1359073052 AYOKPTVUTLHZBC-BKMJKUGQSA-N 436.600 4.572 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1C 1359080006 CJEWGQFXODFZOL-LBPRGKRZSA-N 426.156 4.605 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359242218 UZNCBBRFDAJZJB-OALUTQOASA-N 430.040 4.901 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCc1ncc(CC)s1 1359257917 AICCNVNCVXEDBP-FQEVSTJZSA-N 437.613 4.626 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccc(C)cc1 1359263943 QGAGGWRLVIRWEV-WOJBJXKFSA-N 438.597 4.812 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCc1cccc(F)c1F 1359276410 BUSIUZLWPYGLLV-UHFFFAOYSA-N 437.494 4.633 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(C)(F)F)C1 1359325631 JIKVHCJUNXMQAJ-HXUWFJFHSA-N 448.558 4.981 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS[C@@H](C)[C@@H]1C 1359338191 OGMHLIDYELWPCC-IRXDYDNUSA-N 440.642 4.585 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1359342127 PRCCKLJCQUTDGG-NRFANRHFSA-N 440.613 4.538 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CCc1nc2c(s1)CCCC2 1359476538 GTNZBQOIXBEQBG-IBGZPJMESA-N 448.640 4.627 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccco1)N1CCCCC1 1359529080 HKEGTCLFQVKPNV-NRFANRHFSA-N 438.620 4.817 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](C)CC)ccc1Cl 1360515332 BXTBDLYJGIVKAC-DLBZAZTESA-N 434.989 4.886 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H](C)C2)ccc1Cl 1435931888 VTVADTRGBMJOJK-GOSISDBHSA-N 447.000 4.984 30 10 IJEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)C1CC1 1435988229 ASZDEYJLURIFKV-DEOSSOPVSA-N 425.532 4.991 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c(OC)c1 1436452808 XKOQAFSPGLDLRB-KSFYIVLOSA-N 449.469 4.810 30 10 IJEE N#CCc1ccccc1C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 1441106352 DCALSJJJBNLVID-UHFFFAOYSA-N 434.923 4.620 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1 1441344775 WZTVPYDUCNQBJW-PKTZIBPZSA-N 436.552 4.598 30 10 IJEE O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H](O)c1cccc(C(F)(F)F)c1 1448451584 FWFVSRHKQJUWON-ZIAGYGMSSA-N 429.719 4.951 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)c(Cl)c1 1456610845 CPSXCNHENNLOSW-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE C=CCn1c(SCC(=O)Oc2ccccc2COC)nnc1-c1ccc(Cl)cc1 1460730044 NDAUGRGFOZMKKQ-UHFFFAOYSA-N 429.929 4.629 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1464374156 NPHFMOIBZUSZCA-UHFFFAOYSA-N 435.376 4.870 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc2[nH]cc(I)c2c1 1464647078 CFUWVZXWASQWEU-UHFFFAOYSA-N 430.289 4.643 30 10 IJEE C=CCCC1(CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCCC1 1470075359 VHHFVSQTYHSBPC-RUZDIDTESA-N 426.420 4.980 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)c1 1471160921 YEOJHVUKFNPVER-HSZRJFAPSA-N 427.541 4.674 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 1472275243 IUFSYVSKHCZZOQ-AREMUKBSSA-N 430.327 4.693 30 10 IJEE C=CCC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1473317499 WCJJSUPGUQQDSY-IBGZPJMESA-N 442.459 4.684 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC 1476514873 RYWMJMGSSPSNKQ-UHFFFAOYSA-N 438.478 4.779 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CCOCC2)C1 1507598161 CNNWPXPQODPSQZ-UHFFFAOYSA-N 431.005 4.644 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 1507752907 GEXAKHKTPPRBPA-GOSISDBHSA-N 425.627 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)C1 1507799588 WWWXQDGNQSMXKN-CVAIRZPRSA-N 445.405 4.843 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccco1 1507840363 ZVMIENAUFPXCSG-KRWDZBQOSA-N 426.586 4.954 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)S[C@@H](C)C1 1507843712 RKCPRSWGTAGTBB-ROUUACIJSA-N 439.585 4.523 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)c2nccs2)CC1 1507909422 FFLNQXDTLQMRLQ-MRXNPFEDSA-N 427.549 4.659 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1507915657 YYFWKKHUZUYYRG-LJQANCHMSA-N 431.625 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1507919492 OBFVOMMPHFKANI-FGZHOGPDSA-N 437.632 4.749 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1507939893 UQVGTPMQKXIORL-FQEVSTJZSA-N 437.975 4.931 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](F)COC 1508006208 MDCWDCVGLZHLLA-SFHLNBCPSA-N 448.558 4.513 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1517845388 REKQXEYOXLATBD-NIYFSFCBSA-N 442.600 4.661 30 10 IJEE CCCN(C)[C@@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccc(Cl)cc1 1520978665 FCUFLTWJJNQUCR-NRFANRHFSA-N 445.032 4.823 30 10 IJEE C#CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1521818268 BFTURVQGQPEQDZ-IIBYNOLFSA-N 442.353 4.937 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCc2ncncc2C1)c1ccc(C)c(C)c1 1523054739 SLFYGDNHYINASP-NRFANRHFSA-N 427.548 4.997 30 10 IJEE C#C[C@H](NC(=O)c1cc(I)c(C)cc1C)c1ccc(Cl)cc1F 1525069384 DBGDIMQRBIGMPF-KRWDZBQOSA-N 441.671 4.805 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 1525322720 AVZPQCKJQCWZEK-UHFFFAOYSA-N 445.544 4.819 30 10 IJEE C#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1528082009 SJOOBGYWSRNDPL-ULQDDVLXSA-N 438.243 4.942 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CC1(Cl)Cl)c1ccc2c(c1)OCCO2 1530678205 OWAIRMBJNRYPNV-QGZVFWFLSA-N 434.319 4.750 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1537361824 FLJGKMGRINEABP-OPAMFIHVSA-N 438.490 4.546 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(I)c(C)c1C 1538244678 GQRGYJGXOSAOLE-UHFFFAOYSA-N 437.277 4.734 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1539123769 DVBVCWHBJIVUTR-IBGZPJMESA-N 441.000 4.884 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 1539135937 RTQXQJUZGDGKCV-UHFFFAOYSA-N 434.235 4.871 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)c1ccccc1 1539185344 CCUMZOLFDNPOMH-HKBQPEDESA-N 448.470 4.507 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1CCCCO1 1539558291 DTURDRDMOZEAOL-XUZZJYLKSA-N 426.992 4.864 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1539971521 JDBDKUFTEKEJAY-HXUWFJFHSA-N 431.625 4.718 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1540007062 JPFIUTSWHLLUBO-LJQANCHMSA-N 430.556 4.689 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540013347 OKHMHCYLQAQMNQ-YADHBBJMSA-N 437.632 4.928 30 10 IJEE C=CCCOCCn1c(N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C 1540042046 KFFNDSSWHSNWLI-FYYLOGMGSA-N 439.648 4.658 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(CC)CC2)C1 1540885754 OTGBXDSHVOFENP-INIZCTEOSA-N 449.368 4.818 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2CCCC2)C1 1540887206 RUOCIMJOONDLBC-KRWDZBQOSA-N 449.368 4.818 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1CSC 1540919759 VYAPXQNVWCKRNI-GOSISDBHSA-N 427.643 4.601 30 10 IJEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1 1542549214 FBCASCHAFVSLBH-UHFFFAOYSA-N 440.487 4.615 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 1543381892 QFDUCWYVULGTCV-INIZCTEOSA-N 433.335 4.570 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1543920794 FVBNZQWSVSEZPK-IEBWSBKVSA-N 429.561 4.957 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1556427589 JGTMSCZIFIUIAX-GOSISDBHSA-N 438.471 4.687 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2)C(=O)OC 1556970808 IWOYERIFXZNPPR-NGIFANIDSA-N 442.490 4.546 30 10 IJEE C=CCn1c(SCc2cn(-c3ccc(Cl)cc3)nn2)nnc1-c1ccc(F)cc1 1559330010 JMNIXPMJVVHVOC-UHFFFAOYSA-N 426.908 4.797 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 1561112351 DNLYVHFBXTXIGE-UHFFFAOYSA-N 434.277 4.845 30 10 IJEE CC[C@@](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)(C(=O)OC)c1ccccc1 1562281503 HLVCTXNJQBTRJT-SANMLTNESA-N 443.503 4.993 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CC[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]3C4)cc21 1563315566 MSMYJRGHSJXOJG-SCWSEQNSSA-N 439.560 4.522 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(Cl)cc1 1564997886 QBHMSLWPNPETTQ-FXAWDEMLSA-N 438.890 4.793 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)c1ccccc1 1583036396 DYXGAQQXSPLRHX-NRFANRHFSA-N 434.989 4.808 30 10 IJEE C/C(=C\C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(C(F)(F)F)cc1 1585090706 OHEJVXHWMVSYAC-GHRIWEEISA-N 427.470 4.761 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1c(N)ccc(F)c1C)c1ccc2c(c1)OCCO2 1585493632 WQAMOQFQTZOXNP-UHFFFAOYSA-N 448.494 4.899 30 10 IJEE C=CCN(C(=O)c1cc2cc(Br)cc(Br)c2o1)[C@H](C)COC 1586112196 HNOMCMUTUQLATD-SNVBAGLBSA-N 431.124 4.621 30 10 IJEE N#Cc1cccc(OCC(=O)NCC2(c3ccccc3Br)CCCCC2)c1 1587784814 GOMICKVSNKUOBX-UHFFFAOYSA-N 427.342 4.718 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCC1CCC(OC)CC1 1588276073 HOKIPMPTYXZAQU-UHFFFAOYSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC(C)C)C1CC1 1589506545 XTEWMPDAWXFVBI-GHTZIAJQSA-N 429.996 4.990 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nccn1C(F)F 1589609270 VOCAVTYGBKCRKV-UHFFFAOYSA-N 438.429 4.589 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(N(C)C)CCCCC2)CC1 1594013030 BCYIIUASMWLLKC-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)[C@H](C)CC)CC1 1594218832 USBWMCYCZHJULQ-ZHRRBRCNSA-N 447.421 4.907 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCSC2)CC1 1594218973 ZXAFYPIPJINPEU-GOSISDBHSA-N 428.602 4.508 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OCC(C)C)CC1 1594247671 OHDPPCNVFJOVEV-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1594511269 NGQCPCNXSNKXNC-IBGZPJMESA-N 429.634 4.956 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](COC)c2cccc(Br)c2)cc1OC 1595856509 HKAOLUWPPZICEA-ZMOVQZPESA-N 446.341 4.540 30 10 IJEE CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1596588777 ANKSLMMNGBTCRU-UHFFFAOYSA-N 444.501 4.776 30 10 IJEE C=CCCn1cc(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(SC)cc2)nn1 1596701269 WTVPBECHLOLFBY-UHFFFAOYSA-N 426.517 4.780 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cccc(OCc3cccc(C)c3)c2)c(C#N)cn1CC 1597855843 HJOJQCPAMCGWCZ-UHFFFAOYSA-N 431.492 4.696 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1Cc1ccnc(N2CCCCC2)c1 1606951284 AEMQDAMJXNHVLX-UHFFFAOYSA-N 437.636 4.775 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN[C@@](C)(CO)c3ccccc3)c2C#N)C1 1617282633 DOLQTDLIRIHVNM-BVZFJXPGSA-N 439.625 4.597 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1618312996 DHAAGPYHYFZCFP-RXVVDRJESA-N 440.334 4.545 30 10 IJEE C=CCC1(O)CCN(Cc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)CC1 1620594254 LEVJBYUKXHHBAY-UHFFFAOYSA-N 449.620 4.742 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccnc2-n2ccnc2C)cc1OC 1620887153 OUURBFQVVNXHTH-UHFFFAOYSA-N 429.318 4.524 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)c3cc4ccc(Br)cc4s3)CCO2)c1 1624488973 HEPWLUIBQCAKCK-QGZVFWFLSA-N 427.323 4.749 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@H]2CC)c1 1625725262 KQURICMMINVESM-VGOFRKELSA-N 447.000 4.982 30 10 IJEE C#CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1628678391 KAVBOXPBQRSUPD-UPVQGACJSA-N 437.543 4.650 30 10 IJEE Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1S(=O)(=O)Nc1ccccc1 1630077439 CWCKVGVQPZDQCM-UHFFFAOYSA-N 425.897 4.573 30 10 IJEE CCc1nc(-c2ccc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)cc2)n[nH]1 1630579067 CDHMEEPXUBZRSA-AWEZNQCLSA-N 427.430 4.607 30 10 IJEE C=CC[C@@H](NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)c1ccncc1 1631877873 KTKOYQOYIPJPQE-LLVKDONJSA-N 432.215 4.517 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1632032425 XPUJMOWBWXYHSV-UHFFFAOYSA-N 442.494 4.606 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)c1ccc(F)c(F)c1 1634436180 VTEOKUCBKUGYFH-HXUWFJFHSA-N 448.583 4.863 30 10 IJEE C=CC[C@@H]1CCN1C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1636893367 AMZWNAOUBVHOME-GOEBONIOSA-N 425.579 4.863 30 10 IJEE C#C[C@@H](C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1639229274 BYNNIJNBZGQGIA-IQGLISFBSA-N 430.548 4.612 30 10 IJEE C=CCN(CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@H](C)COC 1643802180 BSIKANKOAZYOKK-MRXNPFEDSA-N 433.346 4.703 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)CC(=O)OC(C)(C)C)cc1OCC 1649145158 PLTXTOVSBNFODP-CQSZACIVSA-N 428.367 4.623 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1653734752 SKPHIKZXGWZSEU-ROUUACIJSA-N 429.655 4.866 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3C3CCOCC3)c2C#N)C1 1653923874 CCXTZTYZCKGUCZ-GHTZIAJQSA-N 443.657 4.990 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@@H](O)CC(C)(C)C3)c2C#N)C1 1654457781 BDTYXYQSILOSPD-IAGOWNOFSA-N 431.646 4.582 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)cc1 1661120275 TYGNLQYLSCZVGF-QRWLVFNGSA-N 438.387 4.622 30 10 IJEE CCOC(=O)c1c(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c(C#N)cn1CC 1662770341 CPCLOUIPQIVIHN-UHFFFAOYSA-N 448.445 4.772 30 10 IJEE CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1ccc(Br)c(C#N)c1 1663117957 JTGNSXKQRQNMRI-UHFFFAOYSA-N 449.109 4.598 30 10 IJEE CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@]1(O)CCCOC1 1667397764 GPXVAMNVNDVPQQ-HYBUGGRVSA-N 441.959 4.685 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(SCCN2CCCC2)cc1 1671470181 BNAUNBZYQNGAKH-UHFFFAOYSA-N 429.586 4.570 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 1673393336 NQRDLTFDNFBDLC-XMMPIXPASA-N 449.576 4.599 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(Cl)cc1F 1674036705 SYNKNHMYPFEEGE-XXBNENTESA-N 439.962 4.755 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1674514043 DSGHYVHJRZOIKO-GOSISDBHSA-N 433.581 4.739 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)NCc1ccc(C#N)cc1)C(F)(F)F 1679198855 DGFPJNXJHNGZAF-HXUWFJFHSA-N 441.457 4.506 30 10 IJEE C=CCOc1ccc(CNC(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 1682245990 CUSKEEMNEYDMIN-HRAATJIYSA-N 434.458 4.942 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C)c1ccc(Br)cc1 1683681615 RPXGOJLBJLFHRQ-NDXORKPFSA-N 427.342 4.603 30 10 IJEE C=CCC1(CNC(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)CCCC1 1686451961 ZGFXFJJUNHLPPQ-QHCPKHFHSA-N 436.600 4.768 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1689824047 GJOHHADZWMLVDE-YQVWRLOYSA-N 447.505 4.899 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1689955676 PIDDQWCNJXRNNV-UPVQGACJSA-N 438.616 4.891 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OC)CCCCC1 1690006241 LJRUXTZSQZMUDC-IBGZPJMESA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1690065099 KVHMDAPSMBPDDK-AZUAARDMSA-N 445.405 4.618 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCN1C1CC1 1690083711 MGRQEBDVRTULMY-HSZRJFAPSA-N 449.643 4.765 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1690452201 ZIFAGDPCSZJKKG-PMACEKPBSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](CC)C1 1690483275 MLGSRVJFYVFKQN-IBGZPJMESA-N 449.665 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCN1CCC[C@H](C)C1 1690585266 GUWRRWTYFIHOTA-SFHVURJKSA-N 444.421 4.618 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1c(F)cccc1F)C1CC1 1690630102 UIBOHLZRKAZREX-UHFFFAOYSA-N 434.288 4.669 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C(CC)CC)no2)C1 1690689974 PAYMJTGDXZAJAE-NRFANRHFSA-N 446.555 4.538 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1F 1690737614 RBWCKUCJZVAQKG-UHFFFAOYSA-N 435.931 4.827 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1693631065 DLJOGXVDENHJFW-AHRSYUTCSA-N 447.505 4.801 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1705507619 ASDAJFHZQGAJFS-UHFFFAOYSA-N 445.489 4.650 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)CC(=C)C 1705511628 APORDGGYOGBWBM-UHFFFAOYSA-N 431.378 4.922 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC(=C)Br 1705620502 VUWGJYABRWXJNP-UHFFFAOYSA-N 445.361 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCCNC(=O)OC(C)(C)C 1705713764 SBQFNBYOJKHIDL-UHFFFAOYSA-N 433.984 4.916 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1705733434 NOGUEVXXVHNBTR-DNVCBOLYSA-N 449.368 4.818 30 10 IJEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C)=C(Br)C1)c1ccccc1 1705743284 SLSYLQYPTRVTJB-LJQANCHMSA-N 443.389 4.765 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1705748195 HJAYLLMOHPGRQE-HSZRJFAPSA-N 446.979 4.500 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)c2nc(C)cs2)CC1 1705765939 IBFDUQURVKLZFZ-MRXNPFEDSA-N 439.585 4.687 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](C)[C@H]1C 1705817044 BFNFMBBUGNRRHG-GUDVDZBRSA-N 449.665 4.689 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705823652 RJDVNEWJUOMIKP-HDICACEKSA-N 434.531 4.950 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705825282 PBNKLVZANPLXFH-XZOQPEGZSA-N 438.616 4.544 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1705827070 SNLBVUNUFJINHU-VQIMIIECSA-N 431.378 4.679 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 1705909933 MIFRNHPCXZSKID-HSZRJFAPSA-N 447.583 4.737 30 10 IJEE Cc1csc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)c1 1707727279 ATYUSNVQNPJVQN-IBGZPJMESA-N 439.610 4.631 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)c(C)n1 1709634640 CXZPIWOVNVMAQC-OALUTQOASA-N 431.588 4.652 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCCCCC2)nc1 1722286499 CXTHRWPXNMWDPE-LJQANCHMSA-N 449.002 4.880 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](CC)O[C@H](C)C1 1722315485 WTNUIQIZVCVENC-CABCVRRESA-N 437.407 4.576 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 1722318276 BSFMYVJHFYHXOW-LEWJYISDSA-N 443.636 4.678 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1722326533 IGMURPTYUNJSDC-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722330058 PLYSBMIULXSQRK-OALUTQOASA-N 442.629 4.876 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1Cc1csc(C)c1 1722393950 NFQKFTJGMKAFIA-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722399579 XTNRUXHZFTVGDT-AHWVRZQESA-N 446.639 4.758 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1Cc1ccsc1 1722421702 KSFBVVAAOFKDCK-UHFFFAOYSA-N 437.569 4.523 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCCC1(C)C 1722505309 NAURBQYYIOUZCP-QHCPKHFHSA-N 434.531 4.890 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCSC1(C)C 1722666811 YILLDKNUKBCBFU-SFHVURJKSA-N 428.602 4.672 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccsc1 1722708334 QHCTZPVCUAGZAB-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(OC)CC1 1722731618 AMNRJAKRDJJGDC-WZONZLPQSA-N 448.608 4.872 30 10 IJEE CSc1ccc(CCn2c(-c3cccc(C)n3)nnc2N(CCC#N)CC2CC2)cc1 1731074151 GRVSBTVSKDBYQZ-UHFFFAOYSA-N 432.597 4.743 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC[C@@H](O)C1 1740541326 XDTSIEFNGJKPHS-ABSDTBQOSA-N 438.572 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1Cl 1740559874 WYRXDWLUCSTABD-APWZRJJASA-N 443.979 4.510 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(SC)CCC1 1740650239 TYXWOKAOJMYTLY-SFHVURJKSA-N 438.666 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC[C@H](C)C1 1740664360 NKRZPIMJSRUFCP-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C[C@H](C)CC 1740758545 YXVBHMHYDJHQJX-LGVFNWMJSA-N 448.615 4.984 30 10 IJEE C=C(C)Cn1c(N(C)[C@@H]2CC[C@@H](SCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740784980 FSXKLHIPLLPIEL-FCGDIQPGSA-N 449.665 4.735 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740804735 GOBHFIAGNJRCPZ-IRXDYDNUSA-N 449.983 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740849273 DGWFNXYRVPXHTH-HSZRJFAPSA-N 448.615 4.574 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740851223 RDNUJZFOBUSHGY-MAUKXSAKSA-N 440.485 4.766 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1741000506 BLCVRAVKLMLNME-QGZVFWFLSA-N 439.398 4.984 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCOC[C@H]2C)c1 1742150659 AFMBCJKZQFQDNT-NJYVYQBISA-N 439.604 4.700 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CC[C@H](F)C2)cc1OC 1745802917 FKSYZDMWDZHCCY-AOIWGVFYSA-N 429.540 4.619 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1c(C)coc1C 1748655286 UYNXEXDZWRQDTL-GOSISDBHSA-N 430.508 4.833 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@@H](c1cccs1)N(C)C 1748945679 XMPYVPYSKSWPLX-NRFANRHFSA-N 437.588 4.689 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(C)C)C1 1749047479 XGPRFOZEXRAJTF-OAQYLSRUSA-N 426.630 4.713 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCC[C@H](C)C2)CC1 1749343625 NKUZAPWVBVQTRE-IBGZPJMESA-N 428.024 4.657 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749501517 BNWQPSYAJYSWPO-MBSDFSHPSA-N 432.012 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CC(=C)Br 1749561557 RCTOFJIBCGGITA-UHFFFAOYSA-N 438.167 4.795 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCO[C@@H]1C(C)C 1760104518 ZZZYYLBLYGISCD-VDVULAQNSA-N 426.630 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CC1 1760123983 MONOZBJICSVYKP-CYBMUJFWSA-N 425.385 4.517 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(C)C)C1 1760132367 HSUXAVXBCGNJFM-QUCCMNQESA-N 426.630 4.796 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1760156349 DGWPEZXDDNBWLB-RCZVLFRGSA-N 433.644 4.914 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H](C)c1ccco1 1760324399 KDSWZOXCYKHCJD-BSRJHKFKSA-N 440.519 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1760327365 GMSBCIWQTUMKMG-CSEOROSGSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2F)C1 1760329411 BDVRCNGKEUQKCL-UMEGOILYSA-N 442.579 4.979 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCN2CCC)CC1 1760382672 WGCZXFZPVDMQNK-CTNGQTDRSA-N 427.568 4.588 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCn2nc(C)cc2C)CC1 1760404765 HSDNOWOUFGJFJB-UHFFFAOYSA-N 448.615 4.780 30 10 IJEE C=CCN(c1nnc([C@@H](C)CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1CC1 1760469845 HJUYSCMEJLFLKO-HKUYNNGSSA-N 429.609 4.736 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C(C)C)C1 1760483540 TVZIMPZXOCDSEX-OAQYLSRUSA-N 448.590 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCCO1 1760491253 ZBRHGOCKFVAQIL-INIZCTEOSA-N 435.341 4.594 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1 1762867174 CHAOPLPRLXASOW-IBGZPJMESA-N 441.023 4.993 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2[C@@H]2C[C@H]2C(C)C)c1 1769937334 ATYJDZNLXQNPBV-QIIPPGSGSA-N 432.366 4.529 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCC(F)(F)C2)C1 1770730650 BSUHDWXORZUEAH-HRAATJIYSA-N 435.469 4.666 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCCC)cc2)SC1=Nc1ccc(O)cc1C(=O)O 1772761165 YWGJCQKIXHUKMA-KHSCPFDSSA-N 438.505 4.669 30 10 IJEE CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772787030 UCQRSQDQRHOMFE-UHFFFAOYSA-N 432.432 4.555 30 10 IJEE N#Cc1ccc(NC(=O)CSc2nc(O)cc(-c3ccc(Cl)c(Cl)c3)n2)cc1 1858513825 MSJPSURNWPKHPE-UHFFFAOYSA-N 431.304 4.758 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c1C#N 1860668121 VDERFZAPGHEWTB-QGZVFWFLSA-N 425.554 4.905 30 10 IJEE CSc1ccc(Cl)cc1CC(=O)NCCCCCC(=O)Nc1ccc(C#N)cc1 1860856056 KTCUUPHVNPWEPG-UHFFFAOYSA-N 429.973 4.791 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862417569 UPIWCXOYONTPAI-LJQANCHMSA-N 435.854 4.623 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2cccc(F)c2)cc1 1862473319 AFTYBGMUOVVMDV-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])ccc1F 1862506632 RZUVYVPQAOKUKX-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862511831 QWBOPXABWCBECG-SZNDQCEHSA-N 427.472 4.615 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862598554 XEDQHOSQLKPFOU-HSZRJFAPSA-N 447.462 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862689644 VWYYFWVHOKXASH-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862743942 HWBYHKJXTZSMHI-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)c(C)c3)C2=O)c1 1862876771 LONNIPDTELARBF-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE Cc1cccc2c(C(=O)Nc3c(C#N)c(-c4ccccc4F)nn3C)c3c(nc12)CCC3 1866270610 BXWXRCUJAFFCNY-UHFFFAOYSA-N 425.467 4.696 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCC3)CC2)nc(-c2cccc(OC)c2)n1 1867992217 PSEVLIHXYGGKNB-UHFFFAOYSA-N 447.627 4.785 30 10 IJEE CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(-c3cccnc3)n2)C[C@H]1c1ccccc1 1868575140 AOJXFQSQLBZZCD-DEOSSOPVSA-N 447.546 4.647 30 10 IJEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)/C=C/c1cccs1 1870108719 VCQAPZVZQIOODG-ZZXKWVIFSA-N 438.727 4.872 30 10 IJEE CCOc1ccc(/C=C(/C(=O)Nc2c(C#N)nnn2-c2ccccc2)c2ccccc2)cc1 1870148918 DLAJLBKCSGPEOF-HAVVHWLPSA-N 435.487 4.717 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CN1CCc2ccccc2C1 1870317541 AFIGHKSWCJGSQF-UHFFFAOYSA-N 444.575 4.831 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)cc1C 1870901618 NEMHJAZHDRXQLT-UHFFFAOYSA-N 446.547 4.810 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4C)ccc3C2=O)cc1 1871372240 HDFBETZDTGMUQK-UUYOSTAYSA-N 431.400 4.747 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3ccco3)C4=O)CC2)c1C 1871397931 ZGJUGSPVWWPOEN-IWIPYMOSSA-N 430.504 4.540 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H](C)CC)S(=O)(=O)C1CC1 1871959935 WBCVPTOCKWOHGY-UGSOOPFHSA-N 433.401 4.717 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1cccs1 1872013375 GHCUUMFDRBMGED-HXUWFJFHSA-N 434.627 4.886 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1)S(=O)(=O)C1CC1 1872432532 CTTSGULOOQESSE-NRFANRHFSA-N 432.973 4.699 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872433106 FVQZELKHOMEWQT-LJQANCHMSA-N 441.380 4.896 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)c1cccs1 1872514614 JNSQNKAPEMIOLT-JOCHJYFZSA-N 440.590 4.922 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)cc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872582159 LBOKYSFVBUVMFY-WZONZLPQSA-N 444.597 4.624 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874284527 LLVKCLIXKWILFC-BUVRLJJBSA-N 440.956 4.648 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCCO)n1/N=C/c1cccc2ccccc12 1874300987 CHADPVORAMXGQJ-WGOQTCKBSA-N 446.576 4.984 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)cc1 1874348923 KOUVADPPVRVJBO-CVKSISIWSA-N 433.512 4.586 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccco1 1874426148 TYMCYJNBYWKEBE-BUVRLJJBSA-N 431.521 4.714 30 10 IJEE Oc1nc(CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)nc2ccccc12 1874467446 JLJHDIPZIGWSLN-WYMPLXKRSA-N 446.467 4.501 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)c(OC)c1 1874589705 ZFIDEGXUXLAZTK-NTCAYCPXSA-N 447.487 4.626 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1ccccc1 1874595096 UNJGRALXJZQIBQ-NTUHNPAUSA-N 432.432 4.517 30 10 IJEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC 1874600386 JUOSJTBUXTWMPD-CSKARUKUSA-N 445.943 4.809 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 1874609700 FJQFFBZJFAWDFZ-NTUHNPAUSA-N 431.488 4.926 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc([N+](=O)[O-])c1OCCO 1874626155 OVFQKIXZGHGKHX-VQHVLOKHSA-N 443.496 4.567 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)c1ccc2c(c1)OCO2 1875150222 CEVDJHHZBWWVIN-YCRREMRBSA-N 426.346 4.948 30 10 IJEE N#CC1(c2ccc(C(=O)N3CCC[C@H](COc4ccnc(C(F)(F)F)c4)C3)cc2)CC1 1890958605 WICAPBBWFASZOW-INIZCTEOSA-N 429.442 4.587 30 10 IJEE O=C(c1c(F)c(F)cc(F)c1F)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1891855314 NJTVBQLNZQWYPQ-UHFFFAOYSA-N 436.327 4.588 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(C3CCC3)cc2)[C@H]1c1ccc(C#N)cc1 1892140413 WGEPHGGNCDREPZ-RPWUZVMVSA-N 433.577 4.858 30 10 IJEE C#CCN(CC(=O)c1cc(Br)sc1Br)Cc1ccccc1 1956288684 VINVWICISYKBIH-UHFFFAOYSA-N 427.161 4.591 30 10 IJEE C#CC(C)(C)CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1956478153 JZKYSEAXBJXAPG-QFIPXVFZSA-N 437.561 4.761 30 10 IJEE N#Cc1ccc(NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)c(Br)c1 2026167066 ONMOZUNOWTXDNY-IPFXWSOASA-N 426.314 4.580 30 10 IJEE CCC[C@@H](C#N)C(=O)Nc1cc(Br)c(Br)c(Br)c1 2034335302 RPKIQUJAGIXHQO-ZETCQYMHSA-N 438.945 4.852 30 10 IJEE CC[C@@H](c1ccc(C)cc1C)n1nc(C2(C)CC2)c(/C=N/O)c1I 2079059863 BHQYTALNAQYRMC-XYHOIZSOSA-N 437.325 4.964 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079881729 PHHINPUMKFHWLR-IBGZPJMESA-N 447.320 4.943 30 10 IJEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C=NO)c2Br)cc1 2080073694 WCKUCAODVCYGOK-IBGZPJMESA-N 432.318 4.646 30 10 IJEE N#Cc1c(C2CCC2)nn2c(=O)cc(-c3ccc(C(F)(F)F)cc3Br)[nH]c12 2080996627 NBKIKEKGKMDLNA-UHFFFAOYSA-N 437.219 4.610 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2081876277 KYPLPVJGSADKME-UZUQRXQVSA-N 449.523 4.532 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CCOC)CCN(C(=O)OC(C)(C)C)C1 2082290145 ZHTIUZPVYVWDMX-JYFHCDHNSA-N 446.632 4.791 30 10 IJEE CC1(C)OB(c2ccc(CNCc3cccc(OCc4ccccc4)c3)cc2)OC1(C)C 2094850095 VNNHBAOCNOQELY-UHFFFAOYSA-N 429.369 4.855 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NC 2110509881 MHDRKICHZFLZMJ-HUUCEWRRSA-N 447.776 4.679 30 10 IJEE Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2124534819 JVECBDJIIQDGQG-BCDXTJNWSA-N 442.365 4.506 30 10 IJEE N#C[C@H](C(=O)c1cc(I)ccc1F)c1cccc(Br)c1 2146604651 VTLAPIRYFQAHGN-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCCC 2159120347 GGRHZDKESNESGP-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2229034793 TXTMVQVJWYVRQN-BWTSREIZSA-N 442.365 4.506 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2235720205 BYXHHXJVFMDILJ-UYAOXDASSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2235731728 XSSGYNAHTPQKFT-MGPUTAFESA-N 445.348 4.717 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC(F)(F)CCNC(=O)OC(C)(C)C 2235746507 JUGFHXQHHFORSX-MRXNPFEDSA-N 445.348 4.719 30 10 IJEE CCc1ccc(C#C[C@@H](O)c2cc(Br)ccc2I)cc1 2239675247 JUHFDPXMOYVZBM-QGZVFWFLSA-N 441.106 4.701 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@H](O)C#Cc1ccc(Br)cc1)Cc1ccccc1 2242588412 CBCXLNAARSBMNM-OAQYLSRUSA-N 444.369 4.989 30 10 IJEE C[C@@H]1CN(c2c(Br)cccc2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2248972984 MOCXBENGWLVDKU-HZPDHXFCSA-N 428.330 4.557 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)C#Cc1cccc(Br)c1)C(F)(F)F 2278732646 KXXDITUSWMFDJE-HNNXBMFYSA-N 434.252 4.558 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2279718912 PBQRYNUAMUWJLH-JUXOCIIHSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@@H](N)C#CC1CCCCC1 2289686137 HAFAYZOUTXANLY-VQTJNVASSA-N 435.406 4.796 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2cccc(Br)c2)CC12CCCC2 2296219415 NXZRIDXANVLDAG-HKUYNNGSSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)NCC1(C[C@H](N)C#Cc2cccc(Br)c2)CCCCC1 2296279956 VAGJXDIJIZBDFJ-LJQANCHMSA-N 435.406 4.993 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCN1C(=O)OC(C)(C)C 2296309437 VTTAXWPNKBUVSK-VQTJNVASSA-N 435.406 4.958 30 10 IJEE Cn1cc(C=C2Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)c2ccccc21 2296597303 CITIMMHFIWYFGL-UHFFFAOYSA-N 449.459 4.701 30 10 IJEE Cc1cc2c(c(SCC(=O)c3ccccc3)n1)C(=O)OC2=Cc1c(C)[nH]c(C#N)c1C 2296650692 DKPVJPAJLUIXJQ-UHFFFAOYSA-N 429.501 4.850 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2319210978 AKNNZAHDBJUDRL-GIWBLDEGSA-N 447.572 4.703 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(Cl)c(Cl)c1 2321000257 KWJQHUVUJKPRTM-UHFFFAOYSA-N 439.324 4.701 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)NCc3ccccc3)c2)c(C)c1C 2323248005 PZUNCSVTAAVTJG-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(CN4CCCCC4)c(O)cc(C)c3C1=O)cn2C 2323985098 BYCRZKCBXOZVPN-UHFFFAOYSA-N 432.520 4.803 30 10 IJEE O=C1C(=Cc2ccco2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2Cl)CC1 2324097869 IVNKLGQNFQPTDJ-UHFFFAOYSA-N 436.895 4.577 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)cc1C 2324635903 RUBSDUIHDJKYDB-UHFFFAOYSA-N 441.480 4.694 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1cccs1 2325893402 MLIDBIROUUJDQM-UHFFFAOYSA-N 428.583 4.692 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2327351884 DIOZYKDLZWPHGN-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE CCCSc1nnc(Cc2ccccc2)n1N=Cc1cc(Br)ccc1O 2330499371 FWFMSBBRSAXXHE-UHFFFAOYSA-N 431.359 4.721 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)c1 2330531356 XXKXDFOWEPUCEA-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2[C@H]2CCCO2)cc1 2330893050 KSYHLWZMJFBQAG-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(Cl)cc2)cc1 2330938917 UKPUAEKEAJBDCA-SFHVURJKSA-N 443.916 4.866 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1ccccc1Cl)Nc1ccc(F)cc1 2331727351 FNSGDXYOUPPZOM-UHFFFAOYSA-N 429.908 4.561 30 10 IJEE C[C@H]1C[C@@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339575527 XUTZEDKKYFJOOB-QGUQWCRPSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C12CC2 2339587922 APDCKKWQQVUXNX-SFHVURJKSA-N 441.381 4.680 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339595596 CPHBZSGQXOPRFI-RPSDLQHZSA-N 442.365 4.503 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342469609 MEVYIODYEIOHNO-XMMPIXPASA-N 444.381 4.756 30 10 IJEE CC1(C)OB([C@H]2CCN(C(=O)c3cc(Br)c(F)cc3Cl)C2)OC1(C)C 2342476141 WRMAADHEMVJOTC-JTQLQIEISA-N 432.526 4.550 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2c(F)cc(Br)cc2F)OC1(C)C 2364848421 GZOCNGQRCLYOOU-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE COCc1ccc(CN[C@@H](C#N)c2cc(Br)c(Br)s2)s1 2368032279 PTUHLFZNCKDFOT-NSHDSACASA-N 436.194 4.835 30 10 IJEE C=CCOc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1OCC=C 2081091 CJYUBIUKPNPMKQ-QGOAFFKASA-N 440.293 4.923 30 10 IJEE CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)S/C1=N\c1ccc(C(=O)O)c(O)c1 16928177 BAPYZQIJTDILHF-VYOHFLELSA-N 428.897 4.837 30 10 IJEE C=CCN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc(C(C)(C)C)cc1 28776863 QKBIYEQJSYJZCI-UHFFFAOYSA-O 432.407 4.749 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1[N+](=O)[O-])C/C2=N\OC(=O)c1ccccc1 33960577 FJKSVISJZLHKJG-XJHCDOBBSA-N 435.480 4.963 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)c1 35420844 DIXBXSZACKQURB-AXUYNXDZSA-N 432.501 4.724 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc([N+](=O)[O-])cc1 59792194 UGJHYOQVSUNGDE-UHFFFAOYSA-N 437.525 4.777 30 10 IJEE Oc1ccc2cc(Br)ccc2c1/C=N\n1c(S)nnc1-c1ccccc1 169911969 JEMZGAPOZAJDGC-NHDPSOOVSA-N 425.311 4.737 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2C[C@H](C)O[C@@H](C)C2)C1=O 170001552 YYLRYWPYFLQVRG-SFTDATJTSA-N 426.601 4.853 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@H]2c2ccco2)cc1 170096441 CVAWBINMQMKTTL-QHCPKHFHSA-N 447.487 4.508 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)c1 170130188 RPLPVYLNCAYIQD-OAQYLSRUSA-N 435.501 4.631 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(C)c2)c1 170143143 FRCGQHANNGWIIK-FYYLOGMGSA-N 435.520 4.541 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccncc2)c1 170201072 VVIHEJCTTXWLKH-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 170222413 NECIHLMXECHCLH-IBGZPJMESA-N 434.319 4.997 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170226743 HIBUPCUTPRVJBG-JOCHJYFZSA-N 447.874 4.894 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 170254232 HCOJTMDKHNBNOA-JOCHJYFZSA-N 439.427 4.859 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3cccc(O)c3)ccc2O1 170261968 PPMUIUBOZMWCSI-IQMFZBJNSA-N 433.504 4.627 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170471757 WKKSFHNDMXKYCU-QFIPXVFZSA-N 435.520 4.834 30 10 IJEE CC(=NO[C@@H](C)C(=O)Nc1ccc(Br)cc1)c1ccc(NC(=O)C2CC2)cc1 254352817 ZMOKZHAAOIFAJJ-AWEZNQCLSA-N 444.329 4.565 30 10 IJEE CC(C)(C)C#CCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 300728937 FBHBIEVMPGEYRA-JOCHJYFZSA-N 437.561 4.761 30 10 IJEE C=CCN(C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1nc(C(=O)OCC)cs1 409834573 WTTHHIACQLAXCG-UHFFFAOYSA-N 444.944 4.609 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccnc(Oc2ccccc2F)c1 426853660 LFPYGJDZCGRSRS-UHFFFAOYSA-N 436.443 4.819 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3s2)CC1 436362273 LNUSYMMWTVDEBT-IFMALSPDSA-N 430.577 4.811 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)cc1Cl 438991804 AWJXOUKGWIVNQT-NRFANRHFSA-N 445.906 4.898 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 441831973 ZLSKFEWYBIKXLB-IERDGZPVSA-N 444.491 4.585 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2cc(OC)c(F)cc2C1 460559654 AWZGYXKYFNHIJW-URXFXBBRSA-N 448.542 4.810 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccccc1COc1ccccc1Cl 506638218 XBOJXRMOUPMPHR-XMMPIXPASA-N 442.943 4.797 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 508905983 CCHWFNDGJSZOIE-SBUREZEXSA-N 431.515 4.642 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 521081747 QRDUNYQNQJGOHG-QFIPXVFZSA-N 442.947 4.783 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 522571064 TZRZIIDVERNWMR-SANMLTNESA-N 440.503 4.687 30 10 IJEE C=C(C)Cn1c(CCCC)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549263383 GCJIWOORVXFUDH-OAQYLSRUSA-N 427.980 4.803 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 558989937 DSOKMDYHJYRUPR-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 669816256 KICUTQCFNWMMLP-GBXCKJPGSA-N 448.567 4.752 30 10 IJEE C=CCC1([C@@H](Cc2ccsc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722938088 PRCXGZUTSRXGFR-OAHLLOKOSA-N 429.424 4.844 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C[C@H](C)c2ccc(C)cc2)C1=O 737414616 PGEMDRQPUMPAGB-IFXJQAMLSA-N 447.963 4.659 30 10 IJEE C/C(=C/C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1C(F)(F)F 742040953 FFCVOSHIXHCNBG-SDXDJHTJSA-N 427.470 4.715 30 10 IJEE COc1ccc(CNC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1C#N 747402643 KABNQEGOFCYIDB-LJQANCHMSA-N 436.512 4.706 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Br)n2C)cc1 751352795 SYPXBMRBCGPGDN-UHFFFAOYSA-N 438.325 4.623 30 10 IJEE N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1cccc(Cl)c1 786534731 MGUGBRMUMZWHNC-UWNXQOIWSA-N 441.236 4.964 30 10 IJEE CC(C)CN(CCc1ccc(F)cc1)C(=O)COc1cccc(Br)c1C#N 1124928246 GRDUOJJPRFTTHI-UHFFFAOYSA-N 433.321 4.566 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)c1 1125187565 PZFPQYVRURLIAL-UHFFFAOYSA-N 446.934 4.540 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)c(OC)c1 1128219571 NLGTWRKHWBIGES-SFHVURJKSA-N 436.321 4.972 30 10 IJEE C=CC(C)(C)CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1128871369 NUUVSOHMLZGQDY-UHFFFAOYSA-N 436.581 4.672 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1ccccc1 1130319376 GCUINRCGYYBLRE-QFIPXVFZSA-N 447.332 4.735 30 10 IJEE C[C@@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N(C(=O)OC(C)(C)C)C1CC1 1147389923 BPCGABDCQJLOKX-HNNXBMFYSA-N 425.554 4.691 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OC)c2ccccc12 1151201354 MJHIADXJGSKJHD-HXUWFJFHSA-N 426.513 4.815 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Nc2nccs2)cc1F)c1ccc(Br)cc1 1159634707 QWBLMOSSYBZPSB-KRWDZBQOSA-N 430.302 4.893 30 10 IJEE CCOc1ccc(C[C@H](C)CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 1202434415 GUBLJQCVMOZUTH-INIZCTEOSA-N 437.931 4.796 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 1216318588 WGTBUCGGYYBFAE-LJQANCHMSA-N 440.931 4.524 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C 1251831143 SHJFORXQYHVBNJ-CEMLEFRQSA-N 429.605 4.899 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccc(Cl)cc1 1252449753 UTPXGIHLLSQYMT-YADARESESA-N 448.007 4.987 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(Br)ccc1F)c1ccc(Cl)cc1F 1252478568 DIYUUGGAIBXSIO-QGZVFWFLSA-N 427.676 4.897 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1264361759 QYUKEJSKJUXERU-CQSZACIVSA-N 434.945 4.537 30 10 IJEE CN(CCN(Cc1ccccc1)C(=O)CSc1ccc(C#N)cc1)Cc1ccccc1 1265537712 DOOJITSRXVAHKN-UHFFFAOYSA-N 429.589 4.811 30 10 IJEE CCOC(=O)c1cc(COC)cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 1273898111 AEDJZFFDYXGSQN-UHFFFAOYSA-N 444.487 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCOCC 1286282418 QIJJNBPAYMUXRL-AWEZNQCLSA-N 439.785 4.636 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286345768 YSKXTAQDYDWCTP-HNNXBMFYSA-N 445.354 4.741 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@@H]1CCCC[C@H]1C 1286436891 ZZCVVDJVBWWUHT-YLJYHZDGSA-N 432.515 4.601 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCS1 1286515376 IOTASMCEVNAOJS-YLJYHZDGSA-N 431.403 4.595 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(CC)s2)CC1 1286638715 KIQIQYOPTBRZQY-UHFFFAOYSA-N 446.418 4.875 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1286647872 NOPRCDLDZUZEIA-UXHICEINSA-N 428.024 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OCC(F)(F)F)CC1 1286661701 KJDSVZGZESAGQG-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286669974 ZHVQVTRXPJSTQO-UHFFFAOYSA-N 445.567 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286675833 DFHVXMAAOVEDPF-NBGIEHNGSA-N 430.637 4.938 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC2(CCC2)C[C@@H]1CC 1286716555 PDMAFZUZOLDLGU-PWRODBHTSA-N 430.637 4.948 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1csc(-c2ccco2)n1 1286740913 BAJPDBJBBYXASB-UHFFFAOYSA-N 430.537 4.670 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1ccc(N(C)C)nc1 1286744442 HLLKXSWLXUMPIZ-UHFFFAOYSA-N 448.590 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCC 1286748895 FJSKLDDWQHEFPJ-UHFFFAOYSA-N 448.596 4.636 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21)C(C)C 1286752527 YPVHCWWUPWZYIF-OEYYQIPYSA-N 441.664 4.843 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)C(C)C 1286763042 BHNDGBIAQVCWRR-QHCPKHFHSA-N 428.964 4.834 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)OCCc2sccc21 1287363276 DIJLDDUGAXMGML-DEOSSOPVSA-N 435.597 4.534 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1300352576 MWOIOFOEOUNXFP-QFIPXVFZSA-N 434.506 4.587 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@H](C)C1 1300603733 XZZPOZCNRNBWDV-IFMALSPDSA-N 431.584 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(Cc1ccco1)C(C)C 1300888560 KSURJJBROSQAMU-YKSBVNFPSA-N 438.547 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCCC1(C)C 1300897234 PLTULJYFNIKJGZ-XXBNENTESA-N 440.588 4.616 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSC[C@H]1C 1301050516 QONZBFJEUFWNJH-MRXNPFEDSA-N 441.428 4.946 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301207065 PHQVDIWXWZJJTD-UHFFFAOYSA-N 441.923 4.511 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCO1)C1CC1 1301317462 SLVFIYCOEJFHJK-OAHLLOKOSA-N 437.769 4.695 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CC1CCC(F)(F)CC1 1301351719 ZBWVJQFYPOPHCR-UHFFFAOYSA-N 442.489 4.892 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)N2CCCCC2)C1 1301541941 GXQMHXRYUCAAEU-NRFANRHFSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1301604145 NLROLRPUGDTMAR-UHFFFAOYSA-N 439.673 4.873 30 10 IJEE Cc1cnn(CCn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)[C@H](C)CC#N)c1 1304602790 CXKFGYYNHNTXPE-QGZVFWFLSA-N 449.559 4.756 30 10 IJEE C=CCOCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC 1307244066 JUNUUXUOTTUMLZ-UHFFFAOYSA-N 436.986 4.720 30 10 IJEE COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC(c3ccc(C#N)cc3)CC2)cc1 1308113746 HKRPFGYWLRPXMF-AREMUKBSSA-N 431.580 4.890 30 10 IJEE C=CCCCS(=O)(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1309066785 NBECMSSBHVBJPP-JOCHJYFZSA-N 432.655 4.857 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 1351079381 GMCFKGYDGWCKKU-UHFFFAOYSA-N 447.409 4.940 30 10 IJEE C=CCCC[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 1358121477 WUNGBWMVBGYWMC-BJKOFHAPSA-N 426.988 4.970 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cncn1-c1ccc(F)cc1 1358208149 KRJPNIXWAHMUAR-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCOc1cccc(C)c1 1358877258 ADZRWQGTXIVVIV-HNNXBMFYSA-N 445.386 4.614 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC[C@@H](OC)C(F)(F)F 1359016398 AWYLGDVBSAHMNM-LJQANCHMSA-N 438.469 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC[C@@H]1C 1359110637 VTVDYKLQQDNDGN-DLBZAZTESA-N 433.394 4.783 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1359114386 JUDOOHZJRUYDGI-LJQANCHMSA-N 443.555 4.520 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359143204 WMVOSGOUYPLBHE-NRFANRHFSA-N 442.007 4.554 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCCCCO 1359145632 XENWWDOVECWCKT-UHFFFAOYSA-N 448.192 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1359183143 DMSNKTJODDKBKO-FQEVSTJZSA-N 425.621 4.896 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOc1ccc(F)cc1 1359245288 JGWGTQCGAXWVBP-NHCUHLMSSA-N 430.568 4.817 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1359253235 XXDFCGOOBXJUOY-UHFFFAOYSA-N 438.601 4.518 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1C 1359262326 PKQBQNZKZPLMNT-MSYCTHLASA-N 430.618 4.621 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1359266404 ZRUYQIXUFWTYOF-HNVPCBRESA-N 434.632 4.808 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1359289656 ZNTGZCDNSQBFLH-GOSISDBHSA-N 444.988 4.953 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1359340135 CHTSJACTCXTVCR-IBGZPJMESA-N 440.642 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cccc(C#N)c1Br)c1ccccc1 1436896243 COGQQWNVMVFWTB-KRWDZBQOSA-N 444.329 4.915 30 10 IJEE C#CCC1(NC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)CCC1 1439555079 JVSPBZTVENMYOK-UHFFFAOYSA-N 428.326 4.713 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 1448485220 KWTNRISEKLHVGT-RCCFBDPRSA-N 437.378 4.671 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1 1453945192 MGNUGLKGFZOHJY-QFBILLFUSA-N 436.980 4.920 30 10 IJEE C#CC[C@@]1(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)CCCN1C(=O)OC(C)(C)C 1459752100 COFHQVPDEKQYCO-NRFANRHFSA-N 439.339 4.512 30 10 IJEE O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 1461886373 DOQLMHJQDSIWDZ-UHFFFAOYSA-N 434.355 4.821 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3ccc(SC(C)C)cc3)ccc2c1=O 1464996530 PQPGEXDUYNTEIL-HNNXBMFYSA-N 439.606 4.863 30 10 IJEE COc1ccc2c(c1)CC[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C2 1466519699 DAODRNMBIBWLAD-FQEVSTJZSA-N 443.551 4.729 30 10 IJEE COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cc(F)c(C#N)c(F)c3)C2)n1 1467710651 CAZMYGXVVRBOLX-AWEZNQCLSA-N 439.487 4.988 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnc(-c2ccccc2Cl)nc1C1CC1 1467931904 IITJXIHBNCAOCJ-UHFFFAOYSA-N 437.927 4.978 30 10 IJEE N#CC[C@H]1CCCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1470048977 DLDZJBYSUFHBDW-FOIQADDNSA-N 431.305 4.861 30 10 IJEE C#CCN(Cc1ncccc1C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1473168603 QEPLUBXAEIGUOD-KRWDZBQOSA-N 425.248 4.822 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1F 1475995104 KPWXQVNERHIUKK-OAQYLSRUSA-N 427.907 4.991 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1478966231 VNZMHSUWVBHHBN-XODARUQUSA-N 445.579 4.963 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1507557442 XCNGYCKPZVBKHH-UHFFFAOYSA-N 430.980 4.804 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507563239 SIGVUNZIQQIYHN-HXUWFJFHSA-N 448.571 4.648 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2cccc(C)c2C)CC1 1507803883 HMSJWCOVYVNBJZ-CKUXNOBLSA-N 437.632 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1507918885 KOJCKLQVPKRLTQ-JOCHJYFZSA-N 426.605 4.937 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507942909 XQYCROVRQUTRKE-QHCPKHFHSA-N 432.616 4.875 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1507952400 SJWDMHDMJBXQQK-GOSISDBHSA-N 439.585 4.733 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)c1cc(C)oc1C 1508012664 BPJINVUYLPADLY-QHCPKHFHSA-N 426.948 4.894 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1 1508109568 UAXVALXQPPDKEL-QHCPKHFHSA-N 438.616 4.875 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)CCC(C)C 1514000919 IEERQCHLZJPSPA-UWUFEASWSA-N 439.604 4.541 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 1520345393 JPLBOLFXAIDPJR-NRFANRHFSA-N 440.609 4.777 30 10 IJEE C#CCCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1525219267 AMKQGNNGOBSIFZ-UHFFFAOYSA-N 432.593 4.854 30 10 IJEE C=CC[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1)c1ccccc1 1533929760 MGTTWRQDDWYFGM-LQBOVUBWSA-N 430.951 4.717 30 10 IJEE CCCOc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1F 1534180245 ACZGXAQEWWTHRA-UHFFFAOYSA-N 438.459 4.589 30 10 IJEE C=CCOc1ccc(CN(C(=O)Cc2cc(OC)c(OC)c(OC)c2)C(C)(C)C)cc1 1537696901 DUVXIAGYTDHQBC-UHFFFAOYSA-N 427.541 4.647 30 10 IJEE C=C[C@H](CC(=O)NCc1cc(Cl)ccc1I)c1ccccc1 1538895953 LEMDUWPLGNMPAF-CYBMUJFWSA-N 425.697 4.921 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccc(C(F)(F)F)n1 1538987881 XEUZBJVDPTVHMI-GFCCVEGCSA-N 437.828 4.658 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(OC)CCC(C)CC1 1539003059 KROPFPUJSPGUJS-FAFRJYIDSA-N 433.556 4.653 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCCCC1 1539623592 MWXUUKUCYAJYBO-FDDCHVKYSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1csc2ccccc12 1539646733 ZVAYMFGUKWIVPH-UHFFFAOYSA-N 432.553 4.591 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCc2cccc(Br)c2C1 1539710384 QVVKRHFBZJHSAS-UHFFFAOYSA-N 429.387 4.832 30 10 IJEE C=CC[C@@H](C(=O)NCc1ccc(I)c(Cl)c1)c1ccccc1 1539873574 XTWWHTSSWPCUBD-OAHLLOKOSA-N 425.697 4.921 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(C)CCOCC1)C1CC1 1540099355 XEEYFMWLHJZZIN-UHFFFAOYSA-N 449.368 4.818 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCO[C@@H]1C(C)C 1540195750 GPRWOORDYXRBLP-WIYYLYMNSA-N 432.996 4.689 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@@H](SC)C2)cc1 1540878554 ANBUVHFIHGHTPV-HSZRJFAPSA-N 449.624 4.599 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCC[C@@H]2CC)C1 1540886850 KJVVGUAZZCBXKK-FCHUYYIVSA-N 444.023 4.644 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 1542181814 KXSUIVZVHJJZFR-HNNXBMFYSA-N 431.558 4.566 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2[nH]nc(-c3ccncc3)c2CC)s1 1542844721 FEMFOIUUSMNTJX-UHFFFAOYSA-N 433.990 4.825 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)CCC(C)C 1546626732 CRRFJEUVJUXWAO-DZRGJMJISA-N 439.604 4.541 30 10 IJEE C=CCN(CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)Cc1ccccc1F 1559495421 FVUHLKVDXSYDFY-RUZDIDTESA-N 442.962 4.964 30 10 IJEE CC(C)(CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(Cl)c1 1563803959 HPGMHVHXBYMAAO-UHFFFAOYSA-N 426.948 4.574 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C 1568890927 ZIWNLYBSCAHMNI-UHFFFAOYSA-N 429.520 4.946 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccccc2OC)CCCC1 1583388501 ISFXHJMUSBSGQD-SFHVURJKSA-N 436.980 4.659 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1cccc2ccccc12)[C@@H](Cc1ccccc1)C(=O)OCC 1585020202 HPFLNDJXVYVLJW-RDPSFJRHSA-N 431.532 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC(C)(C)C1 1588288957 SBNKMKRKDDQQNT-UHFFFAOYSA-N 434.415 4.833 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC1(N(C)C)CCCCC1 1588472001 BKYNKGSWKLXIFP-HXUWFJFHSA-N 425.596 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCc2ccccc21 1589687560 ITDPLLCFRLLYSH-HXUWFJFHSA-N 449.624 4.792 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1593844306 ACYWVCKOWZAVST-SFHVURJKSA-N 449.430 4.694 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCSCC)CC1 1594203089 YGNIVOXCOLSSQG-UHFFFAOYSA-N 438.439 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1csc(CC)n1 1594510865 CEDUQTOCWJRBRS-UHFFFAOYSA-N 449.628 4.774 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C[C@@H](C)C1)c1ccccc1 1594552100 HDURZRWDTQJFQZ-VEEZHQPXSA-N 438.616 4.844 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@H](C)SC 1595134074 RINOQHQHXYDBJF-HNNXBMFYSA-N 431.606 4.717 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC(C)CC1 1595156122 GGNABHGKEXQSJE-OAQYLSRUSA-N 443.661 4.548 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCC(OC)CC1 1595185204 QULLNFCHQLDKCH-UHFFFAOYSA-N 444.023 4.666 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)[C@H]3C[C@H](OCC)C34CCC4)nnc2C(C)(C)C)cc1 1595639746 JCIRDRLWPIVWOF-VXKWHMMOSA-N 438.616 4.973 30 10 IJEE C#Cc1cccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 1618026781 GFHYAZNRJRCTSV-JOCHJYFZSA-N 443.341 4.809 30 10 IJEE CCOc1cc(CNc2cc(C#N)ccc2OC)ccc1OCc1ccc(C(=O)OC)o1 1621238623 BVPYPINTZDEYGS-UHFFFAOYSA-N 436.464 4.536 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 1623075155 ANOMRLWJQCLFAC-XDHUDOTRSA-N 435.549 4.970 30 10 IJEE C=CCC1(CNC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)CCCC1 1623974078 ROCQRZNDAJSNOR-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 1626498034 XFPNBAIAKHKVOC-LJQANCHMSA-N 433.618 4.736 30 10 IJEE COc1cc(NC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c(F)cc1C#N 1626517834 HDUCPEQQLHLAAS-SFHVURJKSA-N 430.911 4.536 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CCCN1C(=O)OC(C)(C)C 1627604999 XZUUARHRLHDMPU-DEOSSOPVSA-N 433.568 4.634 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCCN1C(=O)OC(C)(C)C 1628608936 QQFZSLSZRIOJOC-SANMLTNESA-N 441.616 4.885 30 10 IJEE C=CCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1634764804 QASDAUIWLACVCL-UHFFFAOYSA-N 427.353 4.880 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 1634794363 XXONABHGEHONAB-CQSZACIVSA-N 449.267 4.713 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 1635292876 PIEFHCSHQMILAE-UHFFFAOYSA-N 444.512 4.853 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCSC[C@@H]1c1ccccc1OC 1637501174 JGTOVKZWEKLJKN-VQTJNVASSA-N 448.629 4.951 30 10 IJEE C#Cc1cccc(CNC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)c1 1639154284 BPIWPQVBAIXCJU-UHFFFAOYSA-N 439.334 4.674 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)c2ccccc2Br)nc2ccccc2c1=O 1640657142 BGPDKGVKMRZRFN-CYBMUJFWSA-N 429.339 4.709 30 10 IJEE C=C[C@@H](CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1641147799 QAHWOQDDLSURRG-NDXORKPFSA-N 448.460 4.549 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1 1643427591 UFXUUTVJBVHBOJ-GOSISDBHSA-N 435.593 4.853 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)c1ccc(F)c(F)c1 1645343904 HCQTUFIKCXGPCS-YEJXKQKISA-N 448.535 4.783 30 10 IJEE Oc1ncc(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc12 1648496094 CDYVCWQHUUBOIT-CHWSQXEVSA-N 426.307 4.543 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)Cc1cccc(Br)c1C)c1ccc(F)c(F)c1 1655031512 OMMHFYXRRDGZJJ-GOSISDBHSA-N 430.314 4.773 30 10 IJEE C#Cc1cccc(N(C)CC(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 1657206011 JNSKCPJCSUNQQF-VWLOTQADSA-N 437.543 4.542 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F 1661906288 QKLZZGULVMWKFJ-UHFFFAOYSA-N 445.969 4.912 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1669746901 DVPNHFNTLLPTFU-HXUWFJFHSA-N 429.511 4.697 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1670658864 BTRBMZICKMVSDG-HXUWFJFHSA-N 443.588 4.733 30 10 IJEE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 1671799040 ADJDHQMLLWAHHI-GOSISDBHSA-N 448.548 4.859 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1674518758 KGMWEVVMMZQBEU-OAQYLSRUSA-N 441.572 4.780 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(Cc2ccccc2OCC)C[C@H]1C)c1ccc(F)c(F)c1 1680281436 ZCTJLIRHMVRQSC-HOYKHHGWSA-N 443.538 4.897 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](c1ccco1)N1CCCC1 1689946003 LZFTUKGBXLKDKH-YADHBBJMSA-N 447.583 4.534 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1689954287 RWSJCBRZKUNHBC-UKRRQHHQSA-N 426.870 4.970 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC[C@H]1C 1690059289 NLQHQKJIJIYTQQ-AABGKKOBSA-N 445.007 4.820 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1690419092 HITVZGHMNLAPTK-PZJWPPBQSA-N 444.583 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1690422335 LKZJKCZRDGFHNF-UHFFFAOYSA-N 447.583 4.848 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1cccc(C)n1 1690516469 KMFIEYTZTJJWDR-UHFFFAOYSA-N 426.568 4.921 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCO[C@H]1CCCC[C@H]1C)C1CC1 1690547051 SNFOZVNSOIYBJN-VGSWGCGISA-N 430.543 4.897 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(=C)C 1690569998 RSTBIOMCWYKQIQ-PMVMPFDFSA-N 440.563 4.833 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCc1cccc(OC)c1 1690576208 RAYNYIDDHQYWGS-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)C1 1690689942 OJJLOTYONCPQDI-QTEQDKRBSA-N 430.980 4.728 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(C)CC2)C1 1690692296 VUKIUNQJHCQYDI-MRXNPFEDSA-N 449.368 4.818 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1690711614 DVHJAOLKPMEZJS-LEWJYISDSA-N 444.645 4.725 30 10 IJEE C[C@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)C1 1693629571 GHCHAHCFPXLNJJ-NZQKXSOJSA-N 448.615 4.624 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1705499418 RDTHEHRQAQOWBN-IBGZPJMESA-N 433.600 4.646 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@H]1CCO[C@H](C)C1 1705608581 WYBWKPMLNSLIAB-RTWAWAEBSA-N 448.567 4.782 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCCCC1=O 1705670988 QULILABXAYYTGU-HHHXNRCGSA-N 447.627 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1cc(C(C)(C)C)no1 1705677057 ZRDDWTVYQFUYGX-AREMUKBSSA-N 431.584 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CC(C)C)C1 1705697231 UEGKHIDZQFNHDE-DWLFOUALSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C)=C(C)C1 1705708595 DYRCALVPHNRUCR-XXBNENTESA-N 426.536 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCOc1ccc(F)c(Cl)c1 1705718712 WKRKTSCFHNUFRI-UHFFFAOYSA-N 429.927 4.538 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccccc1OC)C1CC1 1705722918 OZPQIQBCPQFVTC-UHFFFAOYSA-N 442.361 4.789 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705732059 MEZZJOJEVNJTSE-FCHUYYIVSA-N 438.572 4.924 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC(=O)NC2CC2)CC1 1705777567 GLVZLZKUQRSCKV-UHFFFAOYSA-N 435.616 4.704 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1705783239 YHWICUATHSTQQG-FQRUVTKNSA-N 439.623 4.921 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCOC1CCCCCC1 1705875976 MBFBWFPRNYJZLM-HSZRJFAPSA-N 438.572 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC1(COC)CCCC1 1722282922 PMXUZTXYQUNSMG-KRWDZBQOSA-N 430.980 4.662 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(Cc2cccs2)CC1 1722327688 SIEFBYQJQUBMBM-UHFFFAOYSA-N 443.979 4.535 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCSC(CC)(CC)C1 1722338706 RXOAVOYQNAMEOR-UHFFFAOYSA-N 426.630 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1722465946 GGGZZKNPWLJKJY-WHCXKFMVSA-N 433.644 4.868 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CC1 1722495638 HXEQKZQYSHKBRD-APWZRJJASA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1CC 1722504532 ZUXTYBMLRVDXEO-PWHSHALESA-N 442.629 4.939 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1722556712 DSQOJBRWJAFFOS-QGZVFWFLSA-N 448.017 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(C)(C)C2CC2)CC1 1722561579 WYYLNSWCISXZCK-UHFFFAOYSA-N 440.588 4.954 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC[C@H](C)C2)CC1 1722582994 NYLUCQRYADBQSI-NRFANRHFSA-N 439.623 4.923 30 10 IJEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1722613187 AIAQVVWCACANAU-KRWDZBQOSA-N 425.606 4.609 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](c2ccco2)C1 1722625298 ONALLYDKJMTILW-INIZCTEOSA-N 430.911 4.917 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1722627142 SLNIPJUUQGVAHW-UHFFFAOYSA-N 449.452 4.727 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@H]1OC)C1CC1 1722645448 MZFDUUTVGOTDQM-AUUYWEPGSA-N 449.368 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ncccc1C)C1CC1 1722646124 IVMVZHFZNABEES-UHFFFAOYSA-N 433.556 4.647 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1cc(C(C)(C)C)no1 1722676269 WVIOIQHQAQFPFP-UHFFFAOYSA-N 432.528 4.502 30 10 IJEE CCOC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)CCCC1 1728827212 FEORYPOXJCDHPH-SFHVURJKSA-N 441.551 4.646 30 10 IJEE CS[C@H](Cn1c(C(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)(C)C 1731045774 ABTHSQPECMNUJK-OAQYLSRUSA-N 440.661 4.768 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCCC[C@@H](SCC)C1 1740595616 HHKILSBTEDJETM-OAQYLSRUSA-N 426.630 4.945 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C1CC(C(C)(C)C)C1 1740630776 LXWMLFJDOGUQLW-UHFFFAOYSA-N 443.364 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)[C@@H](C)CC 1740728016 JHWNQALIVUIGOH-KSFYIVLOSA-N 434.415 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740766060 BJKCONZCEGUPJC-LWIATZKVSA-N 442.579 4.901 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1740788275 QXVYJYGWNCSVGR-GHTZIAJQSA-N 448.608 4.728 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1C 1740794090 PBXMFTXXOSOXGB-JOCHJYFZSA-N 437.613 4.876 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnc(C)s2)CC1 1740827969 RNGVIHKNEIPELH-UHFFFAOYSA-N 438.601 4.654 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)N(CC)CC)CC1 1740835114 ITAPFRNQOYWBMI-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](SCC)C1 1740843927 SWWOHSSVYHPQPS-SFHVURJKSA-N 442.633 4.640 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740858286 NJPBJHZQZZUSDI-FQEVSTJZSA-N 425.577 4.607 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740870375 FUOHUXDJMABMED-YADHBBJMSA-N 437.632 4.917 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)=C(C)C1)C(C)C 1740926401 GKFZSYASBUUXNN-DHIUTWEWSA-N 427.637 4.765 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1741409055 AMKJQTVWLVCZHM-QMHWCDLVSA-N 427.980 4.790 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)c1nc(C)cs1 1748552748 HKEGKBJLTJFNPX-ZIAGYGMSSA-N 444.992 4.772 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nccs1 1748640737 XEMHWMMFNXUEOF-IRXDYDNUSA-N 444.004 4.845 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1748685002 SLFRHRTYXZQRIE-YZUZCNPQSA-N 438.616 4.773 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](c2cccnc2)C(C)C)c1 1748921778 CKPQOUMMTQTJOQ-BVAGGSTKSA-N 444.583 4.919 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1749023426 VFEJHKZSHDNPGO-HOTGVXAUSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1CCC 1749080277 JRLQMWKYLBIAIY-NRAIQUKZSA-N 427.593 4.703 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1749085443 BOKBFEALCSFOMC-HSALFYBXSA-N 445.405 4.876 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1ccco1 1749121334 MFUMVUBNZFNTJE-CDXJDZJCSA-N 437.500 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1ccc(Cl)cc1 1749127786 PFWXDVAVLRZJFG-WIYYLYMNSA-N 430.980 4.695 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCSC(C)(C)C1 1749134977 AVGFDCKBDWUELG-FYYLOGMGSA-N 440.657 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)O 1749146507 GHGRZCFMMVNRJW-UHFFFAOYSA-N 427.774 4.534 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(OC)nc2OC)CC1 1749293943 YULALQAZWXJSNW-UHFFFAOYSA-N 447.583 4.860 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1749376218 RIKOOSWUCZXBEP-OAQYLSRUSA-N 440.519 4.769 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCc2cccc(Br)c2C1 1749402829 STYQZWPTGCILFC-GOSISDBHSA-N 445.405 4.854 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1749418107 XDYYEEFKQHHVFN-UHFFFAOYSA-N 445.892 4.587 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1749443154 WIYIGOKEAZZCAB-UHFFFAOYSA-N 433.400 4.551 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(C)nc(N2CCCC2)c1 1749474290 OIYLPTBWANWHOO-UHFFFAOYSA-N 440.954 4.712 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC1(O)CCCCC1)C1CC1 1749515200 RREAXHQKBRXQCG-UHFFFAOYSA-N 431.378 4.558 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)C1)C(C)C 1749558883 ZEIBZVGUQJQFBL-QUCCMNQESA-N 429.012 4.538 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC1(N2CCOCC2)CCCCC1 1749563437 HENUVBJXANJSBF-UHFFFAOYSA-N 449.643 4.721 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1749620759 QEHXGAPTLQBZLC-VQTJNVASSA-N 440.588 4.572 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1749643494 QPSBEXHDQUJSPA-LEWJYISDSA-N 442.629 4.939 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Cl)s1 1750289786 FLHKDZOZEUAJDX-INIZCTEOSA-N 430.002 4.912 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@H](C)c1cccs1 1760285467 HIOVLOLUTCQUSK-MRXNPFEDSA-N 430.574 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccc(Oc2cccc(F)c2)nc1 1760295964 MWHQZCGMBQJCSE-RUZDIDTESA-N 433.531 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCOC 1760315946 KOZUIUDMFJPUHW-KXBFYZLASA-N 447.004 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2OC)CC1 1760410395 COKHKFVXGUBHBF-UHFFFAOYSA-N 446.599 4.586 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1760411588 OWYSXCPTOLFEDG-NRFANRHFSA-N 439.604 4.759 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760429915 UHYLHBFSIQIPQW-JOCHJYFZSA-N 438.616 4.962 30 10 IJEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1760445393 ILDYVFGETAYOTP-HKUYNNGSSA-N 438.494 4.624 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc(C(F)(F)F)cs1 1760463692 MLUCJSARXWJGSJ-UHFFFAOYSA-N 427.883 4.668 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1760562043 VKXITIDZTWVVFN-UHFFFAOYSA-N 449.020 4.640 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)C(=O)OC(C)(C)C 1763846375 HGJAYLFZFBUPIL-SFHVURJKSA-N 440.592 4.556 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 1772790520 PQHTTZXXWWCOHS-LJQANCHMSA-N 425.412 4.553 30 10 IJEE COc1ccc2cc(C#N)c(SCC(=O)NCCc3ccc(Cl)cc3Cl)nc2c1 1858204880 YSYOGERELADXBE-UHFFFAOYSA-N 446.359 4.873 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(F)c1 1862383565 VDZFSYTZTBYQHY-SFHVURJKSA-N 438.282 4.747 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1862443903 REZGKAWXPJTRBI-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2cccc(F)c2)cc1 1862517075 DRWANQNYLHOMFK-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1 1862532639 IKAPBGRWWWNHPF-XMMPIXPASA-N 441.483 4.756 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 1862546802 GFOFGZFDTGPJHW-HSZRJFAPSA-N 445.515 4.785 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1[N+](=O)[O-] 1862547574 YEAVIDDAXMDTLB-JOCHJYFZSA-N 434.492 4.852 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2F)cc1 1862591012 SSECIXCJSXFQCF-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)c(C)c1 1862943046 JCWKSPHBBGRURO-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(F)cc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O 1863058809 HRXZKDOHFGAQEA-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(Cc2ccccn2)C1=O 1863563051 JTTJDCBEGVBQNZ-UHFFFAOYSA-N 435.568 4.711 30 10 IJEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870836848 XUUGQCFBPYTTRM-GOSISDBHSA-N 445.560 4.661 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2cccc(C)c2)C4=O)cc1 1871345288 DDFGXYOVHRZARY-MYYYXRDXSA-N 443.499 4.851 30 10 IJEE CC(C)COc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871409711 GSQWSXWUFIHEGC-GXHLCREISA-N 431.282 4.967 30 10 IJEE Cc1c(OCCN2CCOCC2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871449325 LKMSZKHLDRSOBV-MOSHPQCFSA-N 434.319 4.629 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)CC 1872145104 UJOWNAAZVJVYAH-JOCHJYFZSA-N 429.586 4.621 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872261732 MZDADDHBGXRMPO-FQEVSTJZSA-N 438.952 4.628 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(C)(=O)=O 1872290178 HZAMERVPYQMNJY-HSZRJFAPSA-N 428.598 4.612 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872547297 BXUVGPSXXQBZNH-CVDCTZTESA-N 428.598 4.924 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)c1 1872783699 GBFLNHCOMNBDLP-OAHLLOKOSA-N 443.868 4.879 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCCN(CC)CC)ncnc21 1873624740 ODJABHKVIUSFSH-UHFFFAOYSA-N 434.588 4.747 30 10 IJEE CCOc1cc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SC)ccc1O 1874214942 ODVNURFHVYTVNA-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)c1 1874308240 NBZVBWYBAPJIEA-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(O)c(OC)c1 1874324919 ZIGBAZYUQGYRBJ-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(OC)c(OC)c1 1874353473 LOLLQUQYAXULAP-ZMOGYAJESA-N 438.553 4.563 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccco2)c1 1874378873 YDRKALCMZALGRI-AFUMVMLFSA-N 449.511 4.522 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2)c1 1874410195 HRZDWSSGQRRUOJ-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874411523 XTPDAWKSXHGHLW-HZHRSRAPSA-N 434.546 4.754 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874473316 YDYAJZLTGPQZQU-OEAKJJBVSA-N 435.380 4.991 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccc(F)c1 1874480243 OPVLXPBDXBOUMH-STPJHCLOSA-N 439.560 4.612 30 10 IJEE CC(C)(C)c1nnc(SCCO)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874486625 CCSLVRBTHRPFFM-ZVHZXABRSA-N 444.988 4.775 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(S)nnc2Cc2ccc(Br)cc2)cc1 1874569824 HGLSYWRIJUWJIC-HYARGMPZSA-N 444.402 4.649 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccncc1 1875117876 WHKAKVZTMPOXLU-FARCUNLSSA-N 438.823 4.767 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]12[C@@H](NC(=O)OC(C)(C)C)[C@H]3CC[C@H]1[C@H]2C3 1910249941 GSNDWHQMXYBOGK-PDXKIXJRSA-N 426.601 4.677 30 10 IJEE N#Cc1ccc(CCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1951404413 BWGYAZLQWINUQM-RUZDIDTESA-N 440.499 4.873 30 10 IJEE C[C@@](Cc1ccc(F)c(C#N)c1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951790607 LEPGFTAFJNUAEN-SANMLTNESA-N 444.462 4.622 30 10 IJEE CCc1nn([C@H](c2ccc(OC)cc2C)C2(C)CC2)c(I)c1C#N 2079845673 ULDMPWLBPXRCJN-QGZVFWFLSA-N 435.309 4.628 30 10 IJEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(O)c1 2079879557 FEVHDUSSWWGPGE-AWEZNQCLSA-N 432.265 4.741 30 10 IJEE CCOc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2080118041 NQIPOBXDWGVYSQ-HNNXBMFYSA-N 445.251 4.941 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)CC1(C)C 2118196593 JUQCKRCTBOJEEY-MRXNPFEDSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C(F)(F)CC1 2162330121 UUKYYVDIGTVAGT-CYBMUJFWSA-N 448.283 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)[C@H](C(C)(C)C)C1 2174568152 MYVGUMPOVJCGGT-SFHVURJKSA-N 436.394 4.788 30 10 IJEE CCN(c1cc(Br)cnc1C#N)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174709777 JQLXYOWFBNLYDK-YOEHRIQHSA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(c3ccc(C#N)c(Br)c3F)CC[C@@H]21 2174809204 XKHNHZLUSZMPKB-CABCVRRESA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(c3cccc(Br)c3C#N)C2)C1 2174812109 HERDGNIDZDANPD-OAHLLOKOSA-N 434.378 4.794 30 10 IJEE C=CC1(CNC(=O)c2ccc(Br)cc2I)CCCCC1 2207269137 PAXYAJPVTMLVQV-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE CC(C)C1(C#N)CCN(C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2210523122 HVLXAFROINTEEE-LJQANCHMSA-N 445.563 4.702 30 10 IJEE C=C(I)COc1c(F)cc(Br)cc1CN[C@@H](C)CC 2231572566 NCDGCDKPVZPRPE-JTQLQIEISA-N 442.110 4.804 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2235720879 AHMKBHXUMGUBJX-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE C#CC[C@H](C[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237391793 LTPCBVBSYWQVIW-MISYRCLQSA-N 436.390 4.685 30 10 IJEE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)CC(F)F)cc1B1OC(C)(C)C(C)(C)O1 2255815013 HHPDHMRFJDAVFF-UHFFFAOYSA-N 449.734 4.855 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)CCC(CNC(=O)OC(C)(C)C)CC1 2262199091 FUTIVFXNANFURY-UHFFFAOYSA-N 447.572 4.704 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(OC)c(Br)s2)C1 2263742692 KPALSOHVQTXYSJ-CQSZACIVSA-N 431.396 4.783 30 10 IJEE COc1ccc(Nc2cc(Br)cc(C#N)c2)cc1I 2265798609 GWDFBAMIMYVDID-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CN(CCc1ccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267565538 PIZWSRZMSPZOFC-OALUTQOASA-N 444.381 4.517 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2273825782 ZHPJCTKAOSFHMS-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](N)(C#Cc2ccc(Br)cc2)CC12CCCC2 2296233210 VJXKJPVSSMRUPO-OAQYLSRUSA-N 433.390 4.842 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C 2296268531 GANDOYDZUCBPKH-WOUAJJJCSA-N 435.406 4.670 30 10 IJEE NC(=S)NN=Cc1cn(-c2ccc(Oc3ccccc3)cc2)nc1-c1cc(F)ccc1F 2296403217 CFHWBFCIOGLJFX-UHFFFAOYSA-N 449.486 4.777 30 10 IJEE CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(F)cc3)cc2)c1 2296667796 FPELRVRVQZJDHZ-UHFFFAOYSA-N 438.480 4.638 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4C)ccc3C2=O)c(OC)c1OC 2296867556 XRFHCDHOYVJDTL-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCN(CC)CCCN1C(=O)C(=O)C(=C(O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)C)cc1 2297057043 IIQGBKNQHCOHHF-QHCPKHFHSA-N 438.568 4.865 30 10 IJEE CCCN[C@@H](C#C[C@H]1CC1(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301437975 SJOFOYPSEGMGCL-VABKMULXSA-N 428.617 4.904 30 10 IJEE CCCOc1ccccc1C=C1SC(=Nc2ccc(O)cc2C(=O)O)N(CC)C1=O 2314926471 KAWJOZIEZVOGMU-UHFFFAOYSA-N 426.494 4.503 30 10 IJEE CCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC12CCC2 2321746988 KSMJLNQXDLQYRT-IXCJQBJRSA-N 430.640 4.683 30 10 IJEE O=C(C=Cc1cc(Br)cc(Br)c1OCCO)c1ccc(F)cc1 2322748121 DMQBNMPLGSITOY-UHFFFAOYSA-N 444.094 4.618 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc([N+](=O)[O-])c1OCC 2324428630 AVACFQCUYAFLMD-UHFFFAOYSA-N 435.860 4.959 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2324966935 DEWVKAFNZXQQSP-UHFFFAOYSA-N 425.484 4.863 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2327208409 MRUCNNUGOGVNHC-UHFFFAOYSA-N 439.541 4.891 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2327975870 LIXUCSHYRNRAOW-UHFFFAOYSA-N 427.917 4.785 30 10 IJEE Oc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)cc1O 2329662412 PMPUTMBSCOMVHA-UHFFFAOYSA-N 436.562 4.711 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3F)n2N=Cc2ccco2)cc1 2329717274 RVKQHLVULDMQTJ-UHFFFAOYSA-N 449.511 4.522 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2330636298 RQVXVMNRDKUXIE-LJQANCHMSA-N 445.855 4.627 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330718528 XFEXHOPUWUBHIU-UHFFFAOYSA-N 435.597 4.695 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2330993927 LGHFQVCFPRHCKV-SFHVURJKSA-N 442.928 4.656 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2-c2ccco2)cc1 2331212564 SDEUMJVKWUZOFE-UHFFFAOYSA-N 437.569 4.524 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCCSC 2331445675 ZIODNBDXUBQDJU-UHFFFAOYSA-N 428.506 4.759 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1C 2331846076 IKPGDUUHZNOEOB-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NCCc2ccc(Br)s2)OC1(C)C 2339392120 CUAWGNONYUOLJE-UHFFFAOYSA-N 443.603 4.513 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339573970 AQKAVCDKTUBYCK-NUPXTWTDSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588326 GXUMTRXLFPVCDR-TZTFXGOKSA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339596439 PXVLBTZADDYZCG-ARQVRZPZSA-N 447.360 4.534 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2360197916 YJYHOBVRHZWDHS-SXLOBPIMSA-N 433.390 4.638 30 10 IJEE C=CCSc1nnc2c(n1)O[C@H](c1cccc(O)c1)Nc1ccc(Br)cc1-2 9601911 GUQIGJAGAPWMGS-QGZVFWFLSA-N 443.326 4.788 30 10 IJEE Cc1cc(C)c(C)c(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)c1 12240139 DBFSGZBCRVHPNO-UHFFFAOYSA-N 425.492 4.543 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCc1nnc(-c2ccc(F)cc2)o1 20831047 AUWZDNQGGVFYRD-UHFFFAOYSA-N 436.516 4.866 30 10 IJEE CCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 20850754 MBRCPKWPBRIVGI-SFHVURJKSA-N 427.530 4.737 30 10 IJEE Cc1cccc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccc(F)c(Cl)c2)c1 32972481 WUJMNZSDSFYLIO-UHFFFAOYSA-N 427.911 4.536 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 34954459 KZUWGVWZGXGDOK-NTEUORMPSA-N 433.416 4.727 30 10 IJEE C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 36345896 CIFUIMNLGPTZSC-XMMPIXPASA-N 447.579 4.809 30 10 IJEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3c(Cl)cccc3Cl)cc2)n1 59466582 SXGHZKQMPBHPNW-SSDVNMTOSA-N 435.336 4.952 30 10 IJEE CSc1nnc(Cc2ccccc2)n1/N=C\c1ccc(OC(=O)c2ccc(F)cc2)cc1 169916210 SHKXXFAQHWSYGX-QQXSKIMKSA-N 446.507 4.831 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 169929080 JODPOOSBRVCPDR-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)c1 170054975 ZASHXKQGJONYNU-RUZDIDTESA-N 427.500 4.793 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)s1 170080906 QSKILRJGWMXLKM-HXUWFJFHSA-N 434.517 4.865 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(O)c1 170083139 MFOAFBXBDMZRMP-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1C 170134455 XUMXUVXYHVXQHW-HSZRJFAPSA-N 447.487 4.861 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccc(O)cc3)ccc2O1 170135749 FVTDKICZYJRFIL-WNSKOXEYSA-N 433.504 4.627 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)c1 170206174 LSEPMAMRSKGXRU-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170208846 VGMFONAHUSXHHS-OAQYLSRUSA-N 445.862 4.655 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)cc1C 170233706 QSFHGVCMDZRURG-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccccc1C 170275728 BBDCFLJWEGMYEI-HSZRJFAPSA-N 437.536 4.742 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2sccc2C)c1 170315738 JHBJZFDNVXCHQX-ICSRJNTNSA-N 441.549 4.603 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(C)c2)cc1 170343740 SOLFHGTXJHDPRI-HSZRJFAPSA-N 441.483 4.955 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170360081 APLDYAZRYWPITD-QFIPXVFZSA-N 432.476 4.527 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccs2)cc1OC 170416205 WRFOQYPAMKKQHL-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1ccc2c(c1)N(C)/C(=C1\SC(=Nc3ccc4ncccc4c3)N(C)C1=O)S2 252622576 NYIYQEGKXPCFFK-SKGRIUKPSA-N 434.546 4.847 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(N2CCCC2=O)ccc1F 303860490 LSOHEXJVUUSTNT-UHFFFAOYSA-N 449.295 4.683 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 407159464 NJAOCSHWVVLZII-JKSUJKDBSA-N 429.403 4.737 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410102109 WKGNGEXWNAZXFF-FQEVSTJZSA-N 442.453 4.754 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 440827445 QIZCDQJENFMQHQ-RHSMWYFYSA-N 447.329 4.691 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508788255 BVCMNHIUKIFROJ-IBGZPJMESA-N 446.580 4.566 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)cc1OC 555170383 OWWWBBJKKKFQSH-UHFFFAOYSA-N 431.540 4.531 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]1c1ccco1 562024273 HRASOXRTJYONID-INIZCTEOSA-N 429.318 4.837 30 10 IJEE C=C(C)Cn1c(N2CCO[C@H](c3ccsc3)C2)nnc1C(F)(F)Oc1ccccc1 581956289 HQSHYIAHVJWFET-SFHVURJKSA-N 432.496 4.622 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1nc2ccccc2s1 583884951 TXBRSZXBONNTHW-UHFFFAOYSA-N 435.553 4.785 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(C#N)c2)cc1 586147746 ABACIICIIBRQIX-UHFFFAOYSA-N 438.524 4.876 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(C3CCOCC3)CC2)n(C2CCCCC2)c1C 611039751 ZWVSCVQQPMXXJM-UHFFFAOYSA-N 426.605 4.559 30 10 IJEE CN(Cc1ccccc1)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 619820368 WOBCYIWBPVXHSO-AREMUKBSSA-N 448.574 4.576 30 10 IJEE N#CCOc1ccc(Cl)cc1CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 735306510 OPVKORKVHFADDI-UHFFFAOYSA-N 449.938 4.930 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1OC 741606521 QKHPXFYSOYXVDA-AWCXAQKGSA-N 426.582 4.534 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C(C)(C)c1cccc(Cl)c1 745062314 ANSQIRYYBUBURE-INIZCTEOSA-N 428.916 4.505 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=S)NC[C@H]2CCOC2)=C(/O)c2ccc(C#N)cc2)cc1 762440873 USVKWFBKJDQZJZ-LJQANCHMSA-O 436.601 4.587 30 10 IJEE C=CC[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccncc1 765550503 CJZLLYNOEHRTQP-IBGZPJMESA-N 437.569 4.964 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H](c2ccccc2)c2ccccn2)nnc1-c1ccco1 769658129 UBWJTJYWNSDRQR-QFIPXVFZSA-N 446.532 4.934 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)CCCN1C(=O)OC(C)(C)C 790571244 JCRQPCPOGNMZOR-JOCHJYFZSA-N 448.470 4.959 30 10 IJEE C#CCOc1ccccc1-c1noc([C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)n1 809395563 MXFXUVUAMKKWLZ-BVSLBCMMSA-N 427.504 4.895 30 10 IJEE C#CCC1(C(=O)Nc2cccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)c2)CCCCC1 1124910482 PUUYGAWOQCYISG-UHFFFAOYSA-N 447.457 4.980 30 10 IJEE CCOC(=O)c1c(NC(=O)CC2CCC(C(C)(C)CC)CC2)c(C#N)cn1CCOC 1125070247 HQSKCYRCULIXNF-UHFFFAOYSA-N 431.577 4.754 30 10 IJEE Cc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nnn1-c1ccc(F)c(F)c1 1125469918 HLUVZPILSDFMFM-UHFFFAOYSA-N 431.402 4.770 30 10 IJEE N#Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)cc1 1125797676 BAEASYNXDCEXAB-UHFFFAOYSA-N 433.558 4.605 30 10 IJEE C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1127561428 AILFIXGESDWPEI-BJOHPYRUSA-N 425.300 4.753 30 10 IJEE C=CCN(C)C(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 1128180718 OMNOCZHZMWKGPZ-UHFFFAOYSA-N 434.384 4.857 30 10 IJEE N#Cc1cc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(F)cc1F 1132470154 HBIUFCPQQGRKTA-UHFFFAOYSA-N 444.791 4.759 30 10 IJEE Cc1nn(CC(=O)N[C@@H](C)c2cccc(C#N)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 1133725395 HPGJYGDTBHGQAN-ZDUSSCGKSA-N 429.446 4.631 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1138257732 WCTYTOCKGHXKMY-JOCHJYFZSA-N 449.378 4.903 30 10 IJEE C#CCN(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)OC(C)(C)C 1141625939 WFEIEMVXKBICHS-HXUWFJFHSA-N 437.927 4.804 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1CCC(=O)OC 1143300094 AOPQTNOINNDDPT-UHFFFAOYSA-N 434.305 4.522 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CCC[C@H]3C2)c1 1159098640 LNMTWVCZEFVSPM-HDICACEKSA-N 444.984 4.593 30 10 IJEE C=CCC[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 1168563642 NOBNXLIMGUWHPL-HXUWFJFHSA-N 427.488 4.785 30 10 IJEE C=CCCn1cc(CNC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)nn1 1177289682 IBJHGKOOHYOUGQ-QFIPXVFZSA-N 439.654 4.527 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)c(C(F)(F)F)c1 1185395643 BLHFDIXMRXVTDQ-UHFFFAOYSA-N 432.423 4.848 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@H]1CCCC(F)(F)C1 1186394791 CTLJIXZDRDGZSB-ZDUSSCGKSA-N 440.325 4.732 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)cc1 1192294913 PWIOHZMFNVDSEN-UHFFFAOYSA-N 425.381 4.623 30 10 IJEE Cc1cccc(OCCN(C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1217730569 FARABYXBPHHGHM-UHFFFAOYSA-N 431.540 4.893 30 10 IJEE COc1ccc([C@@H](NC(=O)NCCc2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 1222480169 FMJZZHLJZVTJHH-DEOSSOPVSA-N 449.938 4.860 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)c1ccccc1 1224523711 WSIZARRRHQKYJJ-RXVVDRJESA-N 431.374 4.607 30 10 IJEE C=C(Br)CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 1225421657 DDOQTESDOFQOPY-KRWDZBQOSA-N 440.382 4.584 30 10 IJEE C#C[C@@H](NC(=O)NCCc1cc(OC)c(OCCC)c(OC)c1)c1ccc(Cl)cc1F 1228391173 PGLCKAPBEXGVST-LJQANCHMSA-N 448.922 4.501 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(Cl)cc1F 1252480351 WVUQNNACSZOLBZ-NYDSKATKSA-N 427.951 4.848 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccccc1F)c1ccc2c(c1)OCCO2 1264221035 CRXLCKIYRSQGBC-UHFFFAOYSA-N 433.479 4.938 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)c1 1264942906 KXVYLBDYHWGIDN-UHFFFAOYSA-N 428.444 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCC(F)(F)C1 1286274369 LYGKUBCTOZJQAE-UONOGXRCSA-N 440.336 4.709 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1286335301 JCQJADQJWKNMHH-UXHICEINSA-N 449.382 4.818 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)C1CCCCC1 1286424303 WQFPPBXTSQVGFG-DEOSSOPVSA-N 442.966 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCc2ccccc21 1286436457 JFFFNDZVDWRGDI-KRWDZBQOSA-N 438.373 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286569478 RKQIWFKXLRNMEM-KDURUIRLSA-N 431.028 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)N1CCc2ccccc2C1 1286579464 PCJYENHPGNIGCJ-RPWUZVMVSA-N 437.632 4.759 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCNC(=O)C(C)C)CC1 1286640344 IKUGJFUTRAOKLQ-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1286678475 XPDLHBKHELUATC-VXKWHMMOSA-N 437.632 4.893 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1286721287 WHVAQPBUHXITQQ-PGRDOPGGSA-N 437.613 4.721 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(C)C)C1 1286831206 BGFKKAUXSOQNFX-NQIIRXRSSA-N 428.602 4.582 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1286835213 SYFRNMOSLIIZAQ-KDURUIRLSA-N 432.659 4.723 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC(C)C)C(C)C 1294977148 GGPQROKKCDRUIM-UHFFFAOYSA-N 432.572 4.920 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 1295027190 CXVGHJIPXDOKIV-MAUKXSAKSA-N 446.523 4.611 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)(C)CC1 1300742723 SQOYJXJFCXKWTF-UHFFFAOYSA-N 439.448 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1Cc1csc(CC)n1 1300786706 HMEQWWVNXVDECV-QMHKHESXSA-N 439.560 4.617 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300833291 YOXRSIPERSSETK-GOSISDBHSA-N 444.377 4.509 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc2ccccc2[nH]1 1300843769 FTHLJOSCRMEJFO-UHFFFAOYSA-N 437.345 4.675 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2(C)C)CC1 1301134967 PJBWWWRDJVLLBE-FQEVSTJZSA-N 437.613 4.663 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCSCC(F)(F)F 1301283272 USYPYLOEGWQNQL-UHFFFAOYSA-N 435.313 4.625 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CC(C)(C)C(F)(F)F 1301350891 CHASEXJSAJAYDY-UHFFFAOYSA-N 434.441 4.655 30 10 IJEE COCCC1(Cn2c(COc3cccc(C)c3)nnc2N2CCC(CC#N)CC2)CCC1 1301488079 CFVAERYTEDPFOS-UHFFFAOYSA-N 437.588 4.502 30 10 IJEE C#CCC1(NC(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CCC1 1303936108 FLJMLAMWKPNEIW-OAHLLOKOSA-N 437.590 4.748 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1304076857 FZVHPXUXUZRDIA-PMACEKPBSA-N 446.599 4.723 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(Cl)c1Br 1309889832 HCUXDQUJSWMIPQ-KRWDZBQOSA-N 438.774 4.804 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(F)cc1 1311438686 RGLPAIMPBXCCKW-RPBOFIJWSA-N 432.495 4.800 30 10 IJEE C=CC[C@@H](NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccncc1 1312022407 UIHVWJCBGKZDGS-DNQXCXABSA-N 429.520 4.525 30 10 IJEE CN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C 1314765357 CTHGNVCYDXVJQI-FQEVSTJZSA-N 448.621 4.879 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1cccnc1C)c1ccc2c(c1)OCO2 1348804466 AWEAAPVYCOWALU-JLHYYAGUSA-N 428.488 4.930 30 10 IJEE C#CCC1(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CCCCC1 1351144673 PQCMAZLIRMDTNX-UHFFFAOYSA-N 425.550 4.699 30 10 IJEE C=CCc1cc(CNC(=O)c2cnc(-c3c(F)cccc3F)s2)cc(OC)c1OC 1351766749 XZPHTBBXZYLSQJ-UHFFFAOYSA-N 430.476 4.764 30 10 IJEE CCOC(=O)c1csc(N(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)c2ccc(OC)cc2)n1 1354304511 FMUVPYVXUQEBNH-INIZCTEOSA-N 449.532 4.744 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 1354544393 AWUCDKQKHBLBQS-CVDCTZTESA-N 443.513 4.650 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC=C(C(C)(C)C)CC1 1359052624 KTFOPLQEZNABLR-UHFFFAOYSA-N 440.613 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1OCCC1(C)C 1359066653 JLZSKYHIWPJJJX-PGRDOPGGSA-N 443.389 4.515 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C2CCC1(C)CC2 1359144498 KLFNVZGXVLKPKJ-UHFFFAOYSA-N 437.769 4.990 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359199428 VLTRXIHYMVJDIU-RBBKRZOGSA-N 435.616 4.656 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](COC)C1 1359223755 VLAHEMVUZIIYQZ-IBGZPJMESA-N 444.645 4.731 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H]1CCCN(C(C)C)C1 1359255539 BZJCQLBKXNLLNN-QPPBQGQZSA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(CN2CCCC2=O)cc1 1359261324 DXYGPDJELMBVKE-UHFFFAOYSA-N 449.624 4.826 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CC1)N(C)C 1359262577 YDVRDUQPYOEFKX-LJQANCHMSA-N 443.020 4.588 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)cc1 1359307120 BAKOMGCITRBKCQ-QGZVFWFLSA-N 449.382 4.685 30 10 IJEE CC(C)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N)c1cccnc1 1359664358 DIMXTROLEIFJTP-WMZHIEFXSA-N 441.583 4.923 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C(C)(C)C1 1435141823 BSUREVVYFQSNBC-UHFFFAOYSA-N 449.551 4.609 30 10 IJEE C=CCC1(NC(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CCCCC1 1436260352 BXUMULDXYWHPJE-UHFFFAOYSA-N 444.622 4.504 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1439339634 KDJPHFCYDQARMU-BZSNNMDCSA-N 426.479 4.650 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)C(C)(C)C 1446184668 MMKIQSOSXVOQEZ-QHCPKHFHSA-N 448.563 4.591 30 10 IJEE C=CCC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccccc1 1449776130 OLCZLJYPPXKCBU-ZRBLBEILSA-N 442.600 4.657 30 10 IJEE C#Cc1ccc(CNC(=O)CCCCCc2ccc(I)cc2)cc1 1460268654 WOHHEZBOTMBYMM-UHFFFAOYSA-N 431.317 4.692 30 10 IJEE C=CCCC1(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CCCC1 1470074332 CGGWHXUJBRXCQI-UHFFFAOYSA-N 432.611 4.734 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2ccc(CC)c(Cl)c2)CC1)c1ccc(Cl)cc1F 1470664874 AMQGXHHNHWSFAJ-OAQYLSRUSA-N 434.342 4.901 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C[C@H](O)COc1cccc2ccccc12 1473150083 CRRFILBEPLNLND-NRFANRHFSA-N 440.490 4.963 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccccc3)[C@H]2c2cccc(OC)c2)CC1 1477804063 XNEPITLOHGKFGJ-IZZNHLLZSA-N 433.596 4.976 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1478472766 UERYIHWRYAUZNZ-LJQANCHMSA-N 435.515 4.767 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 1479217259 NMFYDWAIIKHFDW-UHFFFAOYSA-N 436.394 4.802 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)c1 1492645593 BHAWRJDPKBBSAJ-UHFFFAOYSA-N 432.553 4.671 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cscc2C)cc1OC 1501222872 ALXYFWXSBPLGCC-INIZCTEOSA-N 439.585 4.757 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C1CCCCC1 1507644368 GJSARQCGHXRBPY-UHFFFAOYSA-N 449.668 4.613 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)[C@@H](C)C1CCC1 1507781289 SZXNDDZNTUEHLA-HNNXBMFYSA-N 449.393 4.886 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(Cc1ccnn1C)C1CC1 1507824416 BWXUDGLPZTZLSG-MRXNPFEDSA-N 426.952 4.550 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507856827 DYGWUKWZTOSAFA-WOJBJXKFSA-N 444.023 4.704 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1507873186 AZCZXHIPRMIOEC-LJQANCHMSA-N 432.037 4.696 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2sccc2C1 1507958801 YXOAZGBBGGKVDC-QGZVFWFLSA-N 442.560 4.774 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCN1CC)C1CC1 1507989851 IYBVBCYVXCVPDB-SFHVURJKSA-N 444.421 4.737 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)no1 1508024915 NREROJZHNQKNAU-UHFFFAOYSA-N 434.931 4.573 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1514046524 BRNMZBIUTYXYSK-XMMPIXPASA-N 434.632 4.783 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)C1 1514057513 FONQVKAMLMDNMA-MRXNPFEDSA-N 435.601 4.640 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1 1515034997 GANHGDJKVWFTHA-WIYYLYMNSA-N 431.442 4.612 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)C[C@H](C)O[C@@H]2C 1517271051 RWXGXQYAVOCTOX-LSDHHAIUSA-N 425.550 4.888 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)cs1 1517754408 DQNAQPOEAAOLMB-YESZJQIVSA-N 436.585 4.654 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2CC2CCC(C(F)(F)F)CC2)C1 1521069178 FSSUFLLXWWYJQE-AJTFCVKESA-N 449.496 4.874 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)C(F)(F)F)cc1 1521343776 JAOKNTUVPKGTGW-SFHVURJKSA-N 431.389 4.972 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 1521544553 FQKKNLGUPXJSPP-INIZCTEOSA-N 449.482 4.979 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)cc1 1525055217 YWOOAOCHTPOYPQ-HXUWFJFHSA-N 432.277 4.612 30 10 IJEE COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1530180170 DRDFBVZGBWBEGX-WDEREUQCSA-N 429.332 4.894 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)C(=O)OC 1531945414 IUQHSSCPKWXCAG-QFIPXVFZSA-N 432.476 4.904 30 10 IJEE CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1534164323 GHPWFTJTZLGGLT-NFBKMPQASA-N 433.552 4.604 30 10 IJEE C=CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1538618315 GPBZXKVDJYVSLB-RTWAWAEBSA-N 433.470 4.912 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1539116403 ICXGVLCJAPKRQJ-SFHVURJKSA-N 427.618 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCc1scnc1C 1539547232 VZCJUVHSQBPSNE-OAQYLSRUSA-N 429.952 4.737 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1Cc1cc(C(CC)CC)no1 1539548591 QXAFQJSUJZFAMA-RUZDIDTESA-N 433.556 4.886 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1nccs1 1539642710 JPHONVJPVFOUSI-NZQKXSOJSA-N 437.613 4.528 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1539691081 FYXSLNDUGNFBNV-JOCHJYFZSA-N 445.615 4.714 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CC=CCO2)CC1 1539874994 SLRJCLSQPRGMLK-WMZHIEFXSA-N 438.572 4.564 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2sccc2Br)CC1 1539887665 FDVHTOAMHMPEBB-INIZCTEOSA-N 437.407 4.794 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)c1ccccc1 1539946377 AISFJUWWGDTUBR-YADHBBJMSA-N 449.643 4.722 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(CC)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1539946775 DKTKXIAMKAWOLH-OZXSUGGESA-N 438.616 4.917 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H]1CC 1540006411 SLZFHLYKVNCRQA-ICSRJNTNSA-N 431.625 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc2cccnc12 1540056297 ASWQOZJFKVHGPN-UHFFFAOYSA-N 440.370 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](CCC)OC 1540056457 HZKUQLBZIXABDW-CQSZACIVSA-N 427.774 4.798 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1CCN(CCC)CC1 1540120714 VGCNCEWTSUCAIE-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@@]1(O)CCCC1(C)C 1540121929 XZEZIMJFSHNIEF-VWLOTQADSA-N 426.605 4.619 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C 1540136976 OOJZFTKGNBVUIA-OFVILXPXSA-N 442.579 4.793 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1occc1C 1540168359 MIQUJSLXXMWBQM-LJQANCHMSA-N 441.576 4.521 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1Cc1cccc(C(F)(F)F)n1 1540194701 YEWISKJKIYUAJG-UHFFFAOYSA-N 445.489 4.608 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)N1CCCC1 1541304544 DCZYVGANSNWYLL-JOCHJYFZSA-N 441.023 4.849 30 10 IJEE CC[C@@H]1CCc2nc(O)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)cc2C1 1557130794 ZLLPNLFAJPKUNP-LSDHHAIUSA-N 431.458 4.875 30 10 IJEE C=CC1(CC(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 1558008411 RRBYWRVJQRBYGQ-UHFFFAOYSA-N 438.499 4.808 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(N(CC)CC)cc2)n1-c1ccccc1C 1559319323 ONQNFZPSBPIDRJ-IBGZPJMESA-N 449.624 4.872 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)nc2sc(C)c(C)c2c1=O 1559328620 HQDGFLGEYIOMSE-DOXZYTNZSA-N 447.670 4.882 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Cl)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1559545198 RICKTGIWDWJHNZ-LJQANCHMSA-N 447.760 4.808 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCN([C@H](C#N)c2ccccc2)CC1 1559613570 BIBVMVGCPKPMST-SQJMNOBHSA-N 440.547 4.688 30 10 IJEE CCOC(=O)Nc1ccc(NCc2c(Br)c3ccccc3n2C)cc1C#N 1560498291 BWGZAFCDWAFJML-UHFFFAOYSA-N 427.302 4.993 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NC(C)(C)c1ccc(Br)c(C)c1)C(C)C 1563453288 CYFXNSRKMGEGFP-HXUWFJFHSA-N 436.438 4.990 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 1564774466 MNBKNNMKAXTTTR-QUCCMNQESA-N 448.336 4.601 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccc(Cl)cc1F 1565001604 BDTXJILUGFKNKA-QHCPKHFHSA-N 427.951 4.804 30 10 IJEE C=CCCC1(CNC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCCC1 1586149471 PYLQZMZERDNLSB-HXUWFJFHSA-N 429.630 4.581 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F 1587773918 ZUKLEJCCFBHULP-UHFFFAOYSA-N 427.474 4.723 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCN1CCC 1587921888 LSBMPUBXSXFPJV-XMMPIXPASA-N 444.627 4.687 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1nc(C(F)(F)F)cs1 1587939656 CQIYMUXVFVVSGQ-UHFFFAOYSA-N 443.857 4.525 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)c(-c4ccc(F)cc4)s3)c2C#N)C1 1588069801 FNZXALYRQLGZAF-UHFFFAOYSA-N 439.537 4.953 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1588292907 GJUOGMLVCIJDOA-NFBKMPQASA-N 431.584 4.794 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1CC 1589117337 YBDCJYWWBKMNBG-MRXNPFEDSA-N 439.412 4.909 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)C1 1589505939 PUFAUOLINURUAD-AYBZRNKSSA-N 431.378 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1594511349 PENGQWRGDKUYAE-QFIPXVFZSA-N 435.547 4.583 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CCN(CC)CC1 1595010099 QQOJIRDZAIAYHE-UHFFFAOYSA-N 434.053 4.968 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)c1ccc(I)cc1 1597011438 ZLAIOEIPOMRRMJ-OAHLLOKOSA-N 435.305 4.618 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1)OCC 1611078027 SWDBPXABMRUWMM-NOZRDPDXSA-N 426.988 4.945 30 10 IJEE C#CCN(C(=O)CCOc1ccccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1617599449 FTQVWIGSGFYOQV-GOSISDBHSA-N 448.744 4.857 30 10 IJEE C=CC[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccncc1 1617750071 PKNDXEFLVSILQS-RTWAWAEBSA-N 439.556 4.870 30 10 IJEE CSCc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)cc1 1620247764 HEZPYBIYDFYUPS-OAQYLSRUSA-N 425.602 4.561 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)c3cccc(Cl)c3Cl)cn2)cc1 1622864467 FKKVCDQODIMZEJ-SFHVURJKSA-N 443.290 4.907 30 10 IJEE C#CCN(C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)[C@H]1CCCc2ccccc21 1623291719 QQGKHWGSHUJONT-SFHVURJKSA-N 435.421 4.906 30 10 IJEE C=CC1(CC(=O)N2CCN(CCCc3nc(-c4ccc(C)cc4)no3)CC2)CCCCC1 1624322344 UMFHUCQJZMPXMB-UHFFFAOYSA-N 436.600 4.648 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCc2cccc3ccccc23)n1 1626530222 PVRZQZOAVDTHPG-UHFFFAOYSA-N 435.578 4.525 30 10 IJEE CC[C@@H](C#N)N(CC)C(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1626862215 DQKBULNOHWGYMA-PMACEKPBSA-N 445.563 4.798 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC3(c4cc(Br)ccc4OC)CC3)cc21 1627746979 XCECHDMPFULALG-UHFFFAOYSA-N 441.329 4.804 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1629187133 XVRIESLQBHPSCJ-PXNSSMCTSA-N 426.561 4.519 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 1631635009 BFXPYBQXEAQZCC-QFBILLFUSA-N 442.560 4.726 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 1633738251 BSKXQGMKDNLTNG-LJQANCHMSA-N 437.367 4.916 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3c3cccc(Cl)c3)ccc2c1=O 1634302732 SWKPSNTYWZNUMG-FQEVSTJZSA-N 439.968 4.892 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1635881761 DJUKDIZSYJALKV-UHFFFAOYSA-N 438.300 4.575 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(=O)c1cccc(Nc3ccc(C#N)cc3)c1)C2 1636902399 FDSBSHVICXQDLW-UHFFFAOYSA-N 446.551 4.775 30 10 IJEE C#CCN(C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1647736307 HERBCBATJUYLOA-IRLDBZIGSA-N 440.584 4.678 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385098 MHMLYUHFGMTROY-UHFFFAOYSA-N 448.554 4.937 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)CCS1 1649593218 HROJQBFIGOSLBU-GOSISDBHSA-N 427.643 4.682 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc2cc(Br)cnc12)C(C)C 1661640186 YMPUIYCPQCWBAN-IBGZPJMESA-N 431.378 4.817 30 10 IJEE Cc1cnc2c(S(=O)(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)cccc2c1 1664010996 HJPGZPLGRRJQBL-OAHLLOKOSA-N 433.455 4.665 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCC)[C@H]2CCCN(Cc3ccccc3)C2)cc1 1666920643 VAFJYHHPDXIQMY-DEOSSOPVSA-N 426.626 4.871 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)C(C)C 1668684591 PWJSYAQAOCUIAI-NRFANRHFSA-N 437.053 4.713 30 10 IJEE CCCc1c(NC(=O)NCC[C@H](C)N(C)Cc2ccccc2)cnn1-c1cccc(C#N)c1 1670351864 CQJZYZDGIQHRGK-FQEVSTJZSA-N 444.583 4.729 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 1670411091 FWZQOGUCHASIJU-UHFFFAOYSA-N 433.533 4.754 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1671187321 PRZJWNPTGIDCCF-NVXWUHKLSA-N 427.467 4.725 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)cc1 1682680321 STPAYQXJPLLQIL-UHFFFAOYSA-N 431.561 4.889 30 10 IJEE C#C[C@@H](NC(=O)NCCNC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1F 1683688813 ICGVOZLTJRKGNI-HSZRJFAPSA-N 435.930 4.832 30 10 IJEE C#CCN(C(=O)NCc1ccc(C(C)(C)C)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1685019945 PRGSYCKIQVRDRC-UHFFFAOYSA-N 433.618 4.590 30 10 IJEE C#CC[C@@H](NC(=O)NCc1ccc(Cl)cc1I)c1ccccc1 1685763723 JHJOPISCVGBBIQ-QGZVFWFLSA-N 438.696 4.508 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 1686161104 AXYXUTFLJDFQEO-GJZGRUSLSA-N 427.998 4.935 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC2(CCC2)C1 1689916743 UZHPQUBBOGFSPQ-UHFFFAOYSA-N 429.362 4.510 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(Cl)ccc1OC 1689950888 FQYCGRGFCIJTMB-HNNXBMFYSA-N 441.000 4.911 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1C[C@H](C)O[C@@H](C)C1 1690198144 DUBBPJSTZXECEK-WOGXIUBCSA-N 442.991 4.803 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1690328066 DTDSMDZVICDTTP-ZJOUEHCJSA-N 430.980 4.935 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1690462882 QPTLIVMIASNEIA-XUZZJYLKSA-N 445.007 4.713 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(Oc2ncccc2F)CC1 1690486844 VSTDXCCLLULYIB-UHFFFAOYSA-N 435.547 4.725 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1690489724 ATKROIGRRUXNQE-FQEVSTJZSA-N 439.633 4.563 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cscc1C 1690563582 WQJAZCDKYBUNJK-XMMPIXPASA-N 438.597 4.541 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2csc(CC)n2)C1 1690685623 ATZWIRACHQOYDZ-RTWAWAEBSA-N 437.613 4.669 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)OCC)C1 1690690070 QOTKBLQQPHOVAV-NRFANRHFSA-N 426.605 4.839 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccccc2Cl)N(C)C)C1 1690700607 VHQKNEZQFQQSST-NQIIRXRSSA-N 446.039 4.604 30 10 IJEE CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 1693905358 DEJBHMFXGWJQKF-IBGZPJMESA-N 444.624 4.916 30 10 IJEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)o1 1694581907 GMLABJBRSHDGFJ-KRWDZBQOSA-N 448.571 4.508 30 10 IJEE CSC1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H](C)C#N)CC1 1698368896 DZYCYFVBBQRINQ-QGZVFWFLSA-N 427.618 4.646 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCCN1CCC(C)CC1 1705477660 QWKREMILMZJZFO-NHCUHLMSSA-N 441.595 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCn2ccnc21 1705485646 MPSDWTJFZSVUHN-IFMALSPDSA-N 446.599 4.602 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1705607813 RHRHUQNVFFAMEU-WIYYLYMNSA-N 431.378 4.515 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1705656033 PARZNOKCHNVCNC-YLJYHZDGSA-N 438.000 4.742 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@H](C)C2(CCC2)C1 1705665842 FRLMCGCCRCHLBF-FQEVSTJZSA-N 438.641 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(N(C)c2ccccc2)CC1 1705695713 YCMMPSPPWIGLPF-HFMPRLQTSA-N 437.632 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1 1705698347 SISWGHJLOGGCJU-KXBFYZLASA-N 449.368 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)C[C@@H](C)C1 1705708726 GKEOKVLFKFWYAS-SMISUXHESA-N 438.616 4.883 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705739385 DYCPLFUWTZUUGI-BGYRXZFFSA-N 448.558 4.794 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1705772592 VUIUBSYPAAUPJS-WOJBJXKFSA-N 440.588 4.616 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCN(CC)C(C)C)CC1 1705776437 GOMPQGDJIVPNRT-UHFFFAOYSA-N 432.616 4.934 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1CC 1705856858 JBWONXHMVUMNGB-NHCUHLMSSA-N 434.588 4.706 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1OCCC1(C)C 1705860721 NUMIBWWSKVJFPR-QFIPXVFZSA-N 447.608 4.810 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)O 1705865915 AUAGUWIZZDLJMV-UHFFFAOYSA-N 435.553 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCN1CCC(C)CC1 1705866614 VIADVHBYEQVJCY-NRFANRHFSA-N 429.634 4.506 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1Cc1ccc(OC(F)(F)F)cc1 1705880594 JYASDOFQZAVUFG-UHFFFAOYSA-N 432.446 4.931 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1cccc(F)c1 1705886288 IVHXFQAJDIMNCV-QGZVFWFLSA-N 430.325 4.713 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1705887505 KXMCMMWIIYNAIU-UHFFFAOYSA-N 443.370 4.954 30 10 IJEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)CCCS2)ccc1OC(C)C 1711640854 HMJIWADZDRMXIL-HXOBKFHXSA-N 443.617 4.765 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC1CCCCC1 1722457303 ARJIQZVTYJCMSJ-UHFFFAOYSA-N 435.597 4.983 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](OC)C(C)(C)C1 1722520682 FKBHDHVMERCZRF-MRXNPFEDSA-N 439.785 4.798 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(N2CCCC2)CCOCC1 1722635364 PKPSOAACBOXEKW-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1 1722642966 VNOAKVKJDQJMQG-SFHVURJKSA-N 434.053 4.966 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1Cc1cnn2ccccc12 1722652247 AEKWXQCRTMMJLW-IBGZPJMESA-N 430.556 4.689 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H]1CCCN(C(C)C)C1 1722656658 GTSUEYIKLQJZSG-DEOSSOPVSA-N 434.632 4.661 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@H](C)C1 1722676356 ZLFXJCGYTZJQRM-FQEVSTJZSA-N 436.604 4.612 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)C1 1722715481 NWIBXLAXULKSJE-NNMXDRDESA-N 442.579 4.707 30 10 IJEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)C1 1723967720 HPSPHMNHXLPSGV-NTKDMRAZSA-N 435.597 4.658 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1728227104 DWFCGSZRFLUKHH-MOPGFXCFSA-N 430.556 4.531 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@](C)(OC)C1 1740570321 PAWRJWJIAQNBLC-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(C)C 1740576522 ZDQBETSBHZOJST-UHFFFAOYSA-N 431.625 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1740652286 WXMYXQKRHAHSDG-LADGPHEKSA-N 443.620 4.553 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@H]1C 1740711687 RQGIZYXJUCSSGF-AZUAARDMSA-N 433.625 4.954 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1740712118 XGNVHAZQCMTIEN-WMZOPIPTSA-N 434.556 4.928 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@@H](c1ccccc1OC)N1CCCC1 1740725564 RXMCXQVWFDOGSK-WDZJFXIESA-N 435.616 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1740733377 BWNJGLOYXJSDAQ-AZSVPQILSA-N 449.643 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1CC 1740753042 DZIUJHFJSBJTAU-HBFSDRIKSA-N 432.515 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1740764121 UQDJPYXQKKNDRR-SWHJIRTISA-N 449.599 4.725 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1740785518 KRUIOCJFZHJVJT-CQSZACIVSA-N 425.360 4.744 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(C)o1 1740949634 NPNRKYJIKOEBSS-ROUUACIJSA-N 427.549 4.779 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2c(F)cccc2SC)C1 1740984080 VUBQVQSBTVMDLX-KRWDZBQOSA-N 444.601 4.621 30 10 IJEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1ncc(C)s1 1743837380 ABYBXVIJHGWEFI-IRXDYDNUSA-N 438.601 4.780 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)Cc1cccs1 1748937341 HTMYPAYSNVXLCO-QGZVFWFLSA-N 428.989 4.910 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(C)s1 1749077628 AATCYMLXNCFVQG-JOCHJYFZSA-N 426.973 4.921 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1749345605 NPAAHKDHQIKLEZ-UHFFFAOYSA-N 436.604 4.555 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749370206 FFXRXCCZFYRBMF-HXUWFJFHSA-N 426.580 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749376266 UBMKTOCCQFKMJU-VQIMIIECSA-N 447.505 4.966 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1749397508 YBHZVBAMSVLDLJ-JOCHJYFZSA-N 430.600 4.716 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@@H]1OC 1749536341 IFBVSIWXOJYEDY-RPWUZVMVSA-N 433.600 4.890 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)noc1C 1749539234 WXPQMISONJPHTM-UHFFFAOYSA-N 434.931 4.839 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1749641081 USOTTZMGRSCSOS-HSZRJFAPSA-N 437.632 4.608 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@](C)(O)c2ccccc2Cl)o1 1751477785 DCKJPAIHTDOHQA-HSZRJFAPSA-N 439.947 4.538 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](c2ccco2)C1 1760148784 MCSSLFCARWKBGS-HNNXBMFYSA-N 443.320 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1760322406 SFGJSJAIFFLTPN-URXFXBBRSA-N 436.600 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(C)cs1 1760326805 ZYDOFGLFYWFCIZ-NQIIRXRSSA-N 428.627 4.918 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)CCc1ccc(Br)cc1 1760334702 LFHXWCZPADVWMG-AZUAARDMSA-N 445.405 4.578 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1760390976 WYDMNTSLPNJQMZ-HXUWFJFHSA-N 443.567 4.668 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)cc2F)CC1 1760393661 VCORJBKGRDIDDL-TZIWHRDSSA-N 428.552 4.549 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1760408088 BKDYYPMEUXOIRR-IAGOWNOFSA-N 430.618 4.895 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)OC)c1ccccc1 1760419843 CZJLILINMMHDIC-PMACEKPBSA-N 441.576 4.708 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1760432603 KQAHCTJHJBYPSL-PZJWPPBQSA-N 427.568 4.588 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](C)C1 1760452180 GTZFITGWRMLYSY-LJQANCHMSA-N 444.645 4.689 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1760482146 BWXIBVQZDDWVKZ-XZOQPEGZSA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)s1 1760485760 PLRQWCHVJHGABE-QFIPXVFZSA-N 444.626 4.603 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1c(CC)noc1C 1760492540 WTAUEENOVDEJRZ-UHFFFAOYSA-N 442.361 4.793 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760507391 CQEFCSDXCKZSMK-GDBMZVCRSA-N 440.535 4.865 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CC=C(C(F)(F)F)CC1 1760532323 SCEGZPYQTUSVOC-UHFFFAOYSA-N 441.457 4.652 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(CCOC)CCCC2)C1 1760538521 ZLZVTALDTGYYIZ-NRFANRHFSA-N 445.007 4.977 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1760695301 FIEKXTSHZFUOCM-GOSISDBHSA-N 436.604 4.640 30 10 IJEE CCc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)s1 1762628579 FJBWLQUDKFDJPH-OAQYLSRUSA-N 429.952 4.636 30 10 IJEE CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)C1 1763416975 DHQNOWNMSWVMOQ-ZDUSSCGKSA-N 432.475 4.577 30 10 IJEE CCCN(CCC)CCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](F)(C#N)C1 1764352922 IBIAMJOFMYMPEP-XMMPIXPASA-N 438.551 4.645 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCc1nc2c(s1)CCCC2 1768659613 GPHOJRVHKWNITL-UHFFFAOYSA-N 448.640 4.953 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1)C(C)(C)C 1770439896 GGFWAIMLFLJDLW-NJDAHSKKSA-N 439.629 4.742 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 1858812494 ABYBZRMWMKACGN-UHFFFAOYSA-N 435.311 4.612 30 10 IJEE C=CCNC(=O)Oc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1858884208 KCBTZUMWULIDMS-UHFFFAOYSA-N 437.323 4.743 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1cccc(OC(F)(F)F)c1 1860727849 JEHPJMULFAJVKG-FNORWQNLSA-N 432.167 4.708 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CC 1861028955 STCBQSJAMFBVAV-HNAYVOBHSA-N 425.957 4.869 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)c1 1862413612 HHEUACCCUJGBQW-NRFANRHFSA-N 427.447 4.884 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Cl 1862417582 VASYJEHVOLREHU-IBGZPJMESA-N 435.854 4.622 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2[N+](=O)[O-])ccc1F 1862505706 FRYLLBQXZDNFBY-FQEVSTJZSA-N 426.444 4.667 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(OC)c(O)c2)cc1 1862518501 LMBMIQVWCINYDY-NYHFZMIOSA-N 439.508 4.566 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862537870 ANLWPLUAGVDLOP-BLVKFPJESA-N 434.319 4.515 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540018 DFIZTSVOTXCGOH-IBGZPJMESA-N 426.856 4.551 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F 1862674040 RMNPISHZYRUACK-JOCHJYFZSA-N 442.506 4.665 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862674329 MALJHTJUGURCOT-QHCPKHFHSA-N 431.463 4.791 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOCC)c1 1862682125 LIAQQVMSQFZRMU-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)ccc1O 1862717194 YGAGZKCGNVTNOK-HSZRJFAPSA-N 431.488 4.931 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1C 1863254116 MTEAPJUMDOLUIX-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C(=O)OCC)s1 1865934540 IJJIDZFAVLQKEA-UHFFFAOYSA-N 438.505 4.569 30 10 IJEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)CCCOc1ccc(Cl)cc1 1870108540 LYSSAXFQZACBBU-UHFFFAOYSA-N 445.910 4.802 30 10 IJEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 1871353401 PMJHRDMBMMTVBK-KHHQKVBQSA-N 447.506 4.678 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1OC 1871374255 AJHHEZRLDLHZPE-FMCGGJTJSA-N 448.446 4.916 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(C(C)=O)c3)ccc2C1=O 1871438912 XUUDFEAKXIHMOW-CFRMEGHHSA-N 443.455 4.532 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871861769 POXMYKAGXOBGTD-OAQYLSRUSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871941304 WVFKWXRWPYTQPX-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872547296 BXUVGPSXXQBZNH-AUSIDOKSSA-N 428.598 4.924 30 10 IJEE O=C1CN(Cc2ccco2)C(NC(=O)c2ccccc2Cl)=C1c1nc2ccccc2s1 1873766229 WFFYAFMYOBKEDU-UHFFFAOYSA-N 449.919 4.726 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(OCCC)cc1 1874228227 YZVVUQPZOOTIDO-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(N(C)C)cc1 1874260748 PLZARKDFHORPSY-BRJLIKDPSA-N 443.523 4.752 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccccc1OC(C)C 1874290833 FHOBWUYCNKNNDU-BUVRLJJBSA-N 438.553 4.813 30 10 IJEE CCOc1c(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SCC)cccc1OC 1874320215 GKTVXFLWKQUNGU-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(Br)ccc1F 1874356714 VFCNSOLSMDWLHF-SSDVNMTOSA-N 433.350 4.991 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2F)c1 1874487160 CGMWKXVXVIXYHH-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NCc2ccco2)cc1C 1874591748 ZZIBPXZNAJRQRH-ZHACJKMWSA-N 449.503 4.505 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccccc3)c2)cc1Cl 1874599780 DCDNEYMOBJLOPT-ZRDIBKRKSA-N 435.907 4.940 30 10 IJEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC 1874693128 ORCCDNAZKLSTPZ-ZRDIBKRKSA-N 447.443 4.656 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1cccc(C#N)c1 1901535667 VTYQYCSGWKIGRQ-VWLOTQADSA-N 439.515 4.838 30 10 IJEE C=C([C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922996193 LGZQLDFNYDVMMZ-IAGOWNOFSA-N 427.459 4.646 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cccc1Br 1938364660 HQKZXGSACHPOHQ-CYBMUJFWSA-N 448.155 4.660 30 10 IJEE CC(C)(S)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1984391721 ATYCUZAXOTZXPO-UHFFFAOYSA-N 431.975 4.621 30 10 IJEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2020324078 MGDPXJDHIJUMGJ-FDDCHVKYSA-N 431.533 4.728 30 10 IJEE CC1(C)CSC(=NCc2ccccc2)N1C(=O)CCc1nc(-c2ccsc2)no1 2042448108 GMQQYAZDBKCOMU-UHFFFAOYSA-N 426.567 4.641 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCCCC1 2060819274 AEXOEDLPRFOCTK-PZJWPPBQSA-N 443.588 4.608 30 10 IJEE C/C(=N\C[C@H](O)COC(=O)[C@H](CC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 2085667667 NVRJWPOZGIAWDU-PEJVVTFVSA-N 443.543 4.532 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(F)c1Br 2102880293 NHTPWDUSEKPLSX-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)nc(C2CC2)n1 2137396822 KOCRTRVIBIPYEB-IBGZPJMESA-N 426.355 4.602 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCCC 2145540169 ATSYHYVKRMPHMK-PMACEKPBSA-N 437.422 4.975 30 10 IJEE CC(F)(F)C[C@@H]1CSC(=NCc2c(Br)cccc2Br)N1 2169544243 KFKQKNPICHVBDQ-MRVPVSSYSA-N 428.140 4.818 30 10 IJEE CC(C)(C)CN(c1cc(Br)c(C#N)cc1F)C1CN(C(=O)OC(C)(C)C)C1 2174770273 UFGDLJYRMPCMSZ-UHFFFAOYSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC(CNc2cc(Br)cnc2C#N)CC1 2178641770 PAFQOVWMYYNCJS-UHFFFAOYSA-N 441.345 4.551 30 10 IJEE CC(C)(C)OC(=O)NCCC1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCC1 2180951948 DCEQGPNPHAAHGN-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(C#N)cc1Br 2181147754 NWCDGZSFHORYTO-INIZCTEOSA-N 438.366 4.835 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CCNc2cc(Br)c(C#N)cc2F)C1 2205241714 NMTHKQKAJJNCJR-JLTOFOAXSA-N 438.341 4.909 30 10 IJEE Cc1sc(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2226122641 DKIYONGABWRWNH-KZULUSFZSA-N 426.185 4.517 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2232268633 OKCIWBMYMIPHEV-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2235723884 FMKHWYHVXDNXOE-QRQLOZEOSA-N 435.406 4.862 30 10 IJEE Cc1cnc(NCc2cc(Cl)ccc2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241054531 MUHWVAGWFCKILT-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#Cc1ccccc1Cl 2245958523 RDSZRUYFMSYADV-BULFRSBZSA-N 429.944 4.551 30 10 IJEE COCC(C)(C)N(Cc1ccccc1)Cc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2261001806 VWSQTOOOKZCQHZ-UHFFFAOYSA-N 427.369 4.552 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)Cc2cccs2)n1 2267187768 CQWAMAPUVFXGBF-UHFFFAOYSA-N 448.397 4.593 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268998669 NKYWWECMPCUTBB-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2296218648 GJLGRGGVUKUPEL-JXFKEZNVSA-N 445.348 4.717 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C 2296226005 AXZDEVZYKYUYOY-XAMWDVODSA-N 435.406 4.670 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)C=CCCN1C(=O)OC(C)(C)C 2296230630 VNEZVIRKYPMRLR-DENIHFKCSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@H](N)C#Cc2cccc(Br)c2)C1 2296267879 XWNXOPOOHIUXAE-RBUKOAKNSA-N 433.390 4.555 30 10 IJEE COc1cc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)ccc1O 2296769443 MHRSCWLCSGGACG-OAQYLSRUSA-N 435.863 4.681 30 10 IJEE C=CCCN(Cc1ccccc1)[C@](C)(C(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1 2305400431 NTXRSQSXCRBTFR-BAWHURIHSA-N 430.589 4.992 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nncn2N=Cc2ccc(C(F)(F)F)cc2)c1 2321248610 QOEBDLMGHZYWOZ-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE O=c1cnnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc2cc[nH]c2c1 2321647157 GTFKPXPFYSAWTE-UHFFFAOYSA-N 430.320 4.601 30 10 IJEE CCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322145731 HJIBVUDYIKACLB-UHFFFAOYSA-N 431.891 4.982 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)COc3ccccc3OC)cc(C)c2C1=O 2323118382 LQNNSJRVORHJAB-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccncc1)O2 2323283141 TYAFOMOWQMVXJR-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OCCO 2324266144 TVPFMXDECPQEEO-UHFFFAOYSA-N 443.496 4.701 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(OC)ccc3OC)c2)c1 2325707457 YYQZEUFAGKOHCF-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)OCCOc1ccccc1 2325744722 RDJHSWBTYMWAFC-UHFFFAOYSA-N 442.467 4.860 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(OC)c(OC)c2)cc1 2327356025 SYMZROZXGSOYJH-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SC)cc1 2327601424 BDGFSCAONXPQSJ-UHFFFAOYSA-N 429.977 4.961 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCCc2ccccc2)n1N=Cc1ccccc1 2328499668 SMBYUCWRBAIZRF-UHFFFAOYSA-N 443.532 4.994 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2329097375 DDQVZHPOQPHDTR-UHFFFAOYSA-N 427.917 4.981 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)c1ccccc1 2330611700 LVABPCDLOFKNDN-DEOSSOPVSA-N 437.540 4.942 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2330718101 YEXTXVLJXUHVHC-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1O 2331031706 RZXCAGXGDLRADH-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(O)c1 2331065674 MKONFVICAILQDZ-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c1OC 2331123664 CVGFKKKXCXRNTM-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2-c2ccco2)c1 2331228766 VGAIULXTISNIJZ-SFHVURJKSA-N 445.548 4.698 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)c(C)c1C 2331618266 CHJORBOFSAIBFP-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C(C)C)cc(OC)c1O 2331674022 VMIUCDOSSPYYNG-UHFFFAOYSA-N 426.542 4.607 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cnccn1 2331712847 UOSLAVWYMUBTAN-UHFFFAOYSA-N 428.488 4.946 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CC2)cc1 2331730042 MPZQRORKOKMZSN-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CCOC[C@H]3OCc3ccccc3)nc2)OC1(C)C 2339601178 VLJMVLGSQLNUNM-HNSSNFPDSA-N 436.361 4.512 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)C#Cc3ccccc3Br)C[C@@H]21 2358671957 PVYRYBVOFGBIEQ-NTPFDHPUSA-N 430.342 4.548 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@@H](N)C#Cc3ccc(Br)cc3)(C2)C1 2360196925 ATPHTTHKPCSCPC-ZWCUEREDSA-N 433.390 4.555 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cc(Br)c(Cl)cc2F)n1 2362090611 PBYBWNYLBGJWCE-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2cccc(Cl)c2)S1 34690777 WGMQLHFTLMDWKM-DJUDNFEDSA-N 436.364 4.651 30 10 IJEE COc1ccccc1/C=C/C(=O)c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 34955442 OVLQXMNBUWDFJQ-SDNWHVSQSA-N 448.471 4.836 30 10 IJEE C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2ccc(OC)cc2)c1 37600483 VXRRCXANEPQPHZ-UHFFFAOYSA-N 447.510 4.918 30 10 IJEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1nc[nH]c(=O)c1[N+](=O)[O-] 40587505 OXYTXPHYLKZHGJ-CQSZACIVSA-N 430.251 4.692 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)cc1OC 41430454 WKZMUYIOBZGRRD-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 41663205 XHABIRAKANSMCX-QFEZKATASA-N 442.515 4.730 30 10 IJEE CCOc1ccccc1N/C(=N/C(=O)c1ccc(C(F)(F)F)cc1)NCc1ccccn1 46125245 ORBDHPBZAHYMMS-UHFFFAOYSA-N 442.441 4.897 30 10 IJEE CN(C)c1ccc(/C=N\N=C2\S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1 47139194 BJUMHVWILOJOPT-QSZOGXJASA-N 430.533 4.852 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 71973931 NQNGZVUKAFQWRI-IXCRKKBSSA-N 438.593 4.891 30 10 IJEE CCOc1cc(/C=N\n2c(SC)nnc2C(C)C)cc(Br)c1OCC 169915791 ZUUUBJYYUYEFSL-GRSHGNNSSA-N 427.368 4.566 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccs2)c1 169928532 WCGCPANKYBPKGQ-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)cc2)c1 169959625 PVXAJMVEOAJPDU-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccncc2)cc1C 170024958 IJQAOEGFVMCSHJ-QHCPKHFHSA-N 430.479 4.659 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOC(C)C)cc1 170027760 QQJVGECBGQYGMN-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)c1 170076597 PPYINRGRQUFLSL-QHCPKHFHSA-N 442.471 4.938 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccc(C)o2)c1 170100651 HPMDPLMQEBRRHR-QFIPXVFZSA-N 431.444 4.716 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OC)c1OC 170126956 GPTYAFBQYSRGLG-HSZRJFAPSA-N 449.547 4.961 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccn1 170177849 XDLUBEIDSOOJDS-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)c1 170205806 UZTCRYJPHCYYNV-HSZRJFAPSA-N 439.471 4.523 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccncc1 170206267 JTJRYEPIHKPWRA-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccc(OCC)c1 170218093 NKZDFJQEFFFFRB-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)c1 170295992 CDLAUYOQMFRKTM-JOCHJYFZSA-N 435.451 4.986 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccc(O)cc1 170448160 XYNNTUYIWWCAKB-LJQANCHMSA-N 435.398 4.806 30 10 IJEE CCCCCOc1ccc(N2C(=O)C[C@H](Sc3nc(C)c(C)c(C)c3C#N)C2=O)cc1 261526945 RBOIAEAUGYAXRM-NRFANRHFSA-N 437.565 4.872 30 10 IJEE N#CC1CCC(CNC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CC1 442971090 HMQABKQFKQKKEB-UHFFFAOYSA-N 439.519 4.799 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccccc1Cn1ccnc1)c1ccc(C(F)(F)F)cc1 443029742 RXDWTCVKBWNZIE-HXUWFJFHSA-N 449.498 4.936 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2 474900591 QHNLGWOXCWLJQP-HXUWFJFHSA-N 428.536 4.922 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 476804958 NDSSSTRIUNHFHN-UHFFFAOYSA-N 436.577 4.999 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)nnc1-c1ccco1 482163001 JIUIFQYQNBJRLW-QGZVFWFLSA-N 442.972 4.876 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 506886061 ZCKLCDUBJZFRQA-UHFFFAOYSA-N 427.354 4.895 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 508955841 KIYPROIFLRPYDJ-QGZVFWFLSA-N 439.585 4.551 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 521690539 DOVZIQZOQJHGHX-MOPGFXCFSA-N 430.302 4.611 30 10 IJEE CN1CCC[C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[C@H]1c1cccs1 524642759 FLYHCQMQIUNTKW-MBSDFSHPSA-N 435.549 4.605 30 10 IJEE Cc1ccc(SC2=C(N(C)Cc3ccccc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526685853 DQWGDTHWYGGOFT-UHFFFAOYSA-N 439.540 4.876 30 10 IJEE CCOc1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccc(C(=O)OC)cc1 526827258 MFCMHBBLPLVPLP-WGARJPEWSA-N 446.532 4.791 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C2CCOCC2)CC1 549676324 MLLOEGZZXXKNJY-UHFFFAOYSA-N 433.556 4.819 30 10 IJEE CC(C)c1ccc([C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2cccs2)cc1 603801644 DPQUSKYCYHXQCV-DEOSSOPVSA-N 445.592 4.759 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(CC)(c2ccc(Cl)cc2)CC1 670235221 DFEYEYQSEQSKQW-FQEVSTJZSA-N 430.980 4.544 30 10 IJEE N#Cc1c(F)cccc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687754605 NHUUKXIWQMCMFN-HSZRJFAPSA-N 430.435 4.752 30 10 IJEE Cc1ccc(CN2CC[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 718956136 MIROLUQSYHPZGR-LOSJGSFVSA-N 446.444 4.533 30 10 IJEE COc1ccc(C)cc1C1(CNC(=S)Nc2ccc(C#N)c(Cl)c2)CCOCC1 726476790 LLDKJRKNJIJKIA-UHFFFAOYSA-N 429.973 4.564 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739590239 HOTANFZKTGFNFG-OALUTQOASA-N 425.554 4.596 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 745879478 BWBHOFGQPPFBFI-JOCHJYFZSA-N 434.540 4.522 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CCO[C@@H](c3cccc(OC)c3)C2)c1=S 765149609 LVAFTTJFVGOMHP-JOCHJYFZSA-N 436.581 4.615 30 10 IJEE N#Cc1ccc([C@@H](O)CN2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 769230865 VKSZYELKMAIUDB-RBUKOAKNSA-N 444.375 4.703 30 10 IJEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1sc(-c2ccccc2)cc1C#N 779343102 YFBLRLXJBVQIRD-FQEVSTJZSA-N 449.532 4.557 30 10 IJEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 792750129 JTAXNAIYYDKXCF-OXQOHEQNSA-N 441.503 4.645 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)c1ccc(F)cc1 812755201 OECUZORYLNDLSG-QFIPXVFZSA-N 438.568 4.719 30 10 IJEE CSc1ccccc1N=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21 1081116242 XKABJHHKOUPIHM-UHFFFAOYSA-N 442.588 4.656 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)c1ccc(F)c(F)c1 1128140166 IBVXSOMLDXNFIK-OAQYLSRUSA-N 426.467 4.688 30 10 IJEE C=C(C)[C@H](CC(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21)OCC 1129568596 HASOSZJQAMOYHG-KUHUBIRLSA-N 425.342 4.665 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)C1 1130303369 XANODYBCHAUMDK-OAHLLOKOSA-N 428.872 4.925 30 10 IJEE C=CC1(CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CN(C(=O)OC(C)(C)C)C1 1142634207 FNSIRCRKIUWMSZ-UHFFFAOYSA-N 449.551 4.999 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(OC)cccc1OC(F)(F)F 1152265579 KMQBMVGFNDTHPC-CYBMUJFWSA-N 432.439 4.782 30 10 IJEE C=CC1(CC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CN(C(=O)OC(C)(C)C)C1 1153722499 LGCCMELNCYVDPJ-QGZVFWFLSA-N 438.490 4.835 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)nc2cc(Cl)ccc2c1=O 1164459204 UEWYRNBCUOKFAJ-FTRWYGJKSA-N 448.032 4.857 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 1196600958 PZLLLXDKXGXRPB-OAQYLSRUSA-N 443.613 4.643 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 1201314578 MTVRCRGQDJTTLJ-CTYIDZIISA-N 435.268 4.807 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](c1ccccc1)[C@H](O)C(C)C 1206203881 XNDUKNCZZMGDKN-WOJBJXKFSA-N 433.346 4.894 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2c[nH]c3cccc(F)c23)cc1 1208481055 HOCMKVACCDUPNV-UHFFFAOYSA-N 437.471 4.709 30 10 IJEE C#CCOc1ccccc1NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 1216743576 CPBTVNPBCLICOP-UHFFFAOYSA-N 432.351 4.792 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](OCC(F)(F)F)C1 1219084770 YLRUEBFKVMVUAV-CYBMUJFWSA-N 437.256 4.589 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cc(Cl)ccc1Br 1230594884 LNLUYTCEQYKPGK-UHFFFAOYSA-N 432.749 4.914 30 10 IJEE C=CCOc1ccc(CC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1 1264324146 FIZNCLXQWVJZQA-UHFFFAOYSA-N 434.458 4.688 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)cc1OC 1264513625 DREGTPTZQKCLTA-XKOZXHHJSA-N 446.341 4.922 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(C(F)(F)F)cc1 1266463762 XATHBEWBGHRMDB-XLIONFOSSA-N 447.413 4.930 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC(C)(C)C[C@@H]2C)ccc1Cl 1276142768 ZAFILSUYMFNDLN-KRWDZBQOSA-N 447.000 4.982 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1scnc1C 1286560531 FYIAGMKLVUNCID-OXJNMPFZSA-N 444.004 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@H]1C(=C)C 1286566760 IRSPOXSLHQDVJT-JQVVWYNYSA-N 428.552 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnn(C)c1 1286668375 QKHZFHBZFHJGSQ-UHFFFAOYSA-N 443.393 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@H](C)C1 1286671412 XZWQKQJZALYEGN-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccccc2OC)CC1 1286686579 BEMFVEJQOBAQEE-UHFFFAOYSA-N 425.621 4.554 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)O 1286743810 UAEXGPZASUOPOJ-UHFFFAOYSA-N 447.402 4.733 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1CC1CCCCC1 1286747459 MEJNJLJUKZUOEW-QHCPKHFHSA-N 430.618 4.765 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCO[C@H]1C(=C)C 1286753396 BXKVVXXVDQPFFI-RDPSFJRHSA-N 429.568 4.961 30 10 IJEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C1CC(C(C)(C)C)C1 1286765629 GZRXHCFKEMMGEO-UHFFFAOYSA-N 439.604 4.783 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)[C@H]2C[C@@H](OCC)C2(C)C)cc1 1286795166 XBIQKDIYYPPERV-XZOQPEGZSA-N 449.599 4.537 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286796754 VRZBMULGRZTARA-FCHUYYIVSA-N 435.572 4.526 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2ccco2)C1 1286827542 SLJWLYDBVAOOTN-IBGZPJMESA-N 448.951 4.828 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1295134645 LJQXKEFEDCFIMH-UHOSZYNNSA-N 438.490 4.764 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1sccc1C 1300285916 BKHGDTHLPQUHPR-CYBMUJFWSA-N 433.350 4.723 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1300362595 RUJFXKQAEBBCNE-HXUWFJFHSA-N 443.389 4.690 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(OC)CC1 1300386215 NOPCQHGQZKCVJA-NRFANRHFSA-N 431.378 4.516 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCC(F)(F)F 1300544719 CMSVDHMBSURQSX-UHFFFAOYSA-N 432.490 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1cc(Br)cs1 1300801643 TVVVPELYGSPYNK-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(OC2CCCC2)CC1 1300884869 MLAVIHHKFQQGLG-CVDCTZTESA-N 430.637 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(OC)C1CC1 1300901189 MRXVAYVXWXDFCR-OAQYLSRUSA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOCC2(CCC2)C1 1301016687 BHDCNMDDMRYERB-LJQANCHMSA-N 430.980 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H]1CC 1301148746 RNPHMEZWNYHTDH-CTNGQTDRSA-N 437.636 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1301155858 YPJBPFFZOUTMRU-SSEXGKCCSA-N 428.646 4.987 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1NC(=O)CC1(C)C 1301168626 SPHZMGSDLUMXND-IBGZPJMESA-N 429.996 4.696 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](C(=O)NC)C1 1301202324 HESDKURGNUFOIP-HNNXBMFYSA-N 444.004 4.742 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1301338149 RCSZYLLXHBIENN-SGIRGMQISA-N 440.588 4.679 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCC[C@@H]2C)C1 1301541639 AUJSCIUXNFOJHD-JENIJYKNSA-N 430.980 4.825 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1305658569 APNHXMXVWNXXSO-OTNCWRBYSA-N 448.659 4.928 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 1307251842 HVEMJAJEOBAGGT-SFHVURJKSA-N 429.929 4.800 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCCN1CC(F)(F)F 1310182038 FYALLLVALKKJMF-KRWDZBQOSA-N 432.446 4.807 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc21 1311252915 UXRJWRHMHJJYOT-UHFFFAOYSA-N 440.429 4.749 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1315684421 BLXFJWRLYUKUOU-AXVVYFOYSA-N 431.968 4.625 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2CCCC(F)(F)F)cc1 1316532990 DHPKPPLWRPRCFJ-HKUYNNGSSA-N 433.478 4.840 30 10 IJEE Cn1cc([C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccccc2)cn1 1325222406 GZYQLPYHMGMAEP-HSZRJFAPSA-N 427.533 4.609 30 10 IJEE C=CCn1c(-c2oc3ccccc3c2C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1339595345 LKPSDMLDGWNDDQ-GOSISDBHSA-N 435.572 4.563 30 10 IJEE C=CCN(C(=O)c1ccn(C(C)C)c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1349331954 OQEXFTWDLSVIPL-UHFFFAOYSA-N 443.594 4.737 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CCCc3ccccc3)c3ccccc3)cc2C1=O 1352615399 NSPCSTPKHKHKKM-RUZDIDTESA-N 438.527 4.963 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1359161572 IWINLHQUZFOBRO-VXKWHMMOSA-N 432.616 4.731 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2=CCCCC2)CC1 1359181310 NURAGYZBJZEGHB-UHFFFAOYSA-N 425.602 4.563 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@H]1CC)c1ccccc1 1359195242 JGBZHCDUEMZKGJ-IBXSQZDTSA-N 438.616 4.987 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CCCCC2)C1 1359223930 AGZCROSITHWYIR-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@H](F)C1)C1CC1 1359253412 DTDFGOHPNNUXTC-LNLFQRSKSA-N 433.572 4.643 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC1C[C@@H](C)O[C@H](C)C1 1359254177 HZYBXMANYYSTEG-RTBURBONSA-N 435.572 4.678 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCC1(O)CCC1 1359274916 FMRKACSKMKKUBB-UHFFFAOYSA-N 437.975 4.534 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N(C)Cc1cc(Br)cs1 1359289887 SEKUYZJFHKYGTE-UHFFFAOYSA-N 437.338 4.643 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)c2ccccn2)C1 1359315703 ADRHVAWQFAFHOH-QFIPXVFZSA-N 431.584 4.662 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(Oc3ccccc3)nc2)C1 1359321413 FYVVJBRRMIFDGK-QFIPXVFZSA-N 447.583 4.884 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(OCc3ccccn3)cc2)o1 1361169394 CPBVRJPTFVDQOK-GOSISDBHSA-N 442.523 4.607 30 10 IJEE C=CCCc1ccccc1NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1436019859 OZXWDKOYYQUZTD-UHFFFAOYSA-N 436.371 4.760 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1Oc1ccccc1 1448151977 BJISIYHLNNUWHI-GVAUOCQISA-N 428.488 4.705 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3cccc(Cl)c3)C2=O)nc2sc(C)c(C)c2c1=O 1458824171 MQUIAKDLJMFNQX-INIZCTEOSA-N 445.997 4.812 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(I)cc1OC)c1ccc(F)c(F)c1 1459187463 WLHKBOLCYNJAPV-QGZVFWFLSA-N 443.231 4.625 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCSC[C@@H]2c2ccc(Cl)cc2)cc1C 1459550559 BPKCAVYLIGOJEF-JOCHJYFZSA-N 428.001 4.994 30 10 IJEE C=CCOc1ccc(CC(=O)N(C2CC2)[C@@H](C(=O)OCC)c2ccc(Cl)cc2)cc1 1459740237 LGZTZGYOTJPDQA-HSZRJFAPSA-N 427.928 4.743 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)cc1OC 1462626388 IOTLSOGUGNUHFT-LUAWRHEFSA-N 436.533 4.968 30 10 IJEE C=CCCCN(CC)C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1470099831 ONIXYOWAGIMDQW-GOSISDBHSA-N 436.394 4.559 30 10 IJEE C=CCn1c(SCc2ncc(C#N)cn2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472970821 JEAHWJSLXAFPMC-UHFFFAOYSA-N 431.546 4.573 30 10 IJEE COC(=O)[C@](C)(NCc1ccc(Br)cc1C#N)c1ccc(Cl)c(Cl)c1 1473398008 BSDJCGUYTKGGLN-GOSISDBHSA-N 442.140 4.806 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCCc2c[nH]c3cccc(Br)c23)cc1 1475359761 HNIFQMXAHQUCGH-UHFFFAOYSA-N 433.371 4.570 30 10 IJEE CC[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)NCc1cccs1 1475950164 CSGSUFIFQAEWBE-YADHBBJMSA-N 432.549 4.620 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 1476141656 HQCWVPWLXNJQKQ-KRWDZBQOSA-N 444.601 4.803 30 10 IJEE N#CCC[C@H](NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccccc1 1477860961 CGBDWGQALVOPOC-UNMCSNQZSA-N 428.939 4.788 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCc1nccs1 1507659991 KHNBHXBKOJOIEU-NRFANRHFSA-N 447.608 4.587 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1507686493 AMZVNRKDEXYFON-UHFFFAOYSA-N 446.599 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1507796772 JQLJGWIJVNHWAW-KALAIVBUSA-N 441.447 4.868 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC1(C)C 1507838910 KNYHTJKNXSDCEH-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1507880567 LLWFBBBNQQUMGU-OPYAIIAOSA-N 442.526 4.769 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H]2C(C)C)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1507930210 UKGDGTQQGSPTND-MVERNJQCSA-N 438.616 4.915 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1507948519 RVAWSWWZLTZNLX-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@H]1CCO[C@@H](C)C1 1507973760 NAQNQRNBXGHMIG-PMACEKPBSA-N 436.556 4.945 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(N(C)C)CCCCC1)C1CC1 1507987560 GHEPLYAUOSDRGF-LJQANCHMSA-N 441.595 4.977 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1scnc1C)C1CC1 1507989093 WQZFJMDSNDUBBR-UHFFFAOYSA-N 431.512 4.709 30 10 IJEE C=CCN(c1nnc(Cc2cccnc2)n1CCc1ccccc1C(F)(F)F)C1CC1 1507997411 XIGIJXBGFFFBCG-UHFFFAOYSA-N 427.474 4.680 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H]1C)C(C)C 1508011950 XRGFYUFWMZPGRU-ZFGGDYGUSA-N 432.616 4.750 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2sccc2C)C1 1508117559 RYSPHCCROMULLN-LJQANCHMSA-N 428.989 4.992 30 10 IJEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1509297278 HUNLHEFHDDFXDQ-RTWAWAEBSA-N 434.632 4.952 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)C[C@H]1C 1512332279 GOIQRAFJGMQIRD-JKSUJKDBSA-N 441.988 4.974 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1517408484 CUSBWYJHGGQPEW-FGZHOGPDSA-N 434.632 4.810 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Br)ccc1Cl 1523502265 JMVWFQRGRLQPAW-UHFFFAOYSA-N 439.689 4.845 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 1524758804 GCRKZBPZILDUME-QGZVFWFLSA-N 440.519 4.872 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3cc(C)ccn3)cc2)ccc1OC 1529280119 GGOSIOFQTAUKDQ-FQEVSTJZSA-N 431.492 4.802 30 10 IJEE C=CC[C@H](OC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)c(Cl)c1 1530230196 UCOJDVOWDYANBU-IBGZPJMESA-N 442.364 4.647 30 10 IJEE C=C[C@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1530555948 KGTGPAAQVPHCGT-XXBNENTESA-N 426.988 4.968 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)C(F)(F)F)cc1 1532569506 AALPAQJJLWKJBC-NRFANRHFSA-N 443.425 4.805 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C(F)(F)F)cc1 1532570404 QKNGKJLABKKLJW-GOSISDBHSA-N 430.348 4.609 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1OC 1533864608 FMJCVBMJTFNINQ-OQRGYWNNSA-N 430.342 4.783 30 10 IJEE COc1ccccc1-c1ccnc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n1 1535530291 GCYHVEJXURWDMT-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE C=CCN(C(=O)c1ccc(OC(F)(F)Cl)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1538618678 NMKVVJLPAKTUDA-LJQANCHMSA-N 437.870 4.657 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 1538750782 SSZUPIXGVNAXJT-KRWDZBQOSA-N 433.936 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCc1nc(C)c(C)s1 1539566461 KZFDAYOZMBTYKZ-RUZDIDTESA-N 449.624 4.782 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1539686083 FAWYRXXILVQUBE-IBGZPJMESA-N 442.361 4.962 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CCSCC 1539779272 SEMDSRDRCFYBAV-GFCCVEGCSA-N 432.819 4.756 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1539881586 BOBJKBLIPMJZKS-QGZVFWFLSA-N 443.567 4.647 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1539959225 IAFNEDMOOASRSH-UHFFFAOYSA-N 439.501 4.632 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1539965983 CSYJPBDINXVXLK-YTFSRNRJSA-N 429.653 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1Cc1nc(C(C)C)cs1 1540171709 GUMWMMRFFOUHIN-UHFFFAOYSA-N 429.540 4.954 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2cnc(C)s2)cc1 1540878188 QPJDHVIHEFDGCO-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(OC)cc2C(F)(F)F)C1 1540883191 VUDPBOBSMVDETR-MAUKXSAKSA-N 438.494 4.649 30 10 IJEE CC(F)(F)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1 1541894778 BEUYCWXVMWTNKK-UHFFFAOYSA-N 442.283 4.632 30 10 IJEE Cc1cc(C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)nn1-c1cccc(C#N)c1 1544033828 FITLUIXPRQIVRT-UHFFFAOYSA-N 445.470 4.548 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1544383041 UBPJXQACOQZTHF-FDFHNCONSA-N 430.589 4.862 30 10 IJEE Cc1cc(Oc2cc(Cl)ccc2CN(C)C(=O)CNc2ccc(C#N)cn2)ccc1F 1558151470 BCUYPUGIFVFUEI-UHFFFAOYSA-N 438.890 4.917 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 1558192525 BRDKZCVCWPFKCO-GGAORHGYSA-N 433.552 4.552 30 10 IJEE C=CCC1(O)CCN(C(=O)c2sc(-c3ccc(C)cc3Br)nc2C)CC1 1558421815 MAKWDWXEUJXOLW-UHFFFAOYSA-N 435.387 4.733 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 1559708762 BWUWDQJSKZMSFO-CVEARBPZSA-N 426.504 4.943 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccc(C(F)(F)F)cc1 1561402723 RAUMHCCDRDZMDP-INIZCTEOSA-N 444.431 4.608 30 10 IJEE O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1561427485 DSTFCQMOWXDGFJ-GXFFZTMASA-N 437.377 4.636 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(Br)cc1 1562254902 XMVMQCFNKHGWDT-MOPGFXCFSA-N 443.341 4.893 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)c1ccc(Cl)cc1F 1563687146 HZXJHNKQZROEFJ-VXKWHMMOSA-N 443.950 4.688 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)c1ccc(Cl)cc1F 1565002546 LFYMTUXSQDYXRG-OTWHNJEPSA-N 441.717 4.760 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)[C@@H]1CCCO1 1585510928 AJIHPYAAWXOVFA-APWZRJJASA-N 446.359 4.818 30 10 IJEE N#Cc1nc(NC(=O)CCSc2ccc(Br)cc2)ccc1Br 1585749730 DGZGEYSVLOCNLE-UHFFFAOYSA-N 441.148 4.599 30 10 IJEE C#CCN(C(=O)[C@@H](CCC)c1ccccn1)[C@H]1CCOc2ccc(Br)cc21 1586216290 CROUIHWPBGCNAK-PXNSSMCTSA-N 427.342 4.713 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC[C@H](OCC)C1CCCC1 1587603372 KXDJGDJQFOQKOU-XXBNENTESA-N 431.584 4.937 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1587738974 MVNMZLGEGPPILF-PKTZIBPZSA-N 431.584 4.937 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCC[C@H]1CCCCO1 1588283688 BVCGIIUVIPJNEX-OAHLLOKOSA-N 437.407 4.578 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC[C@@H]1C 1588580971 BGOZDQRIPFNAMY-GHTZIAJQSA-N 449.624 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1cccc(F)c1)C(C)C 1589558983 NECKFDZWWKCHKR-RDGATRHJSA-N 449.574 4.799 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ccc(C)s1 1593758143 WANOMTBXTNNTRY-UHFFFAOYSA-N 435.597 4.949 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCSC)CC1 1594091148 URMIKWOSYNQWAP-IBGZPJMESA-N 449.665 4.692 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCc2cn[nH]c2)CC1 1594218696 PLGKKRUEMCPFKG-UHFFFAOYSA-N 434.588 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(C)C)C1 1594484459 STOBXQVYHSKRQF-JOCHJYFZSA-N 434.588 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCO1 1595191322 OYJJEOCDOZJRMX-INIZCTEOSA-N 435.341 4.594 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)COc3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 1595534462 IBCMURKDAMEAQT-UHFFFAOYSA-N 435.698 4.604 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C)[C@H]1C 1595844607 FJZICGAOWCXQCR-IKGGRYGDSA-N 436.622 4.807 30 10 IJEE O=S(=O)(c1cc(F)ccc1NCc1ccccc1OCC(F)(F)F)C(F)(F)F 1611842277 GBOWXDFZVRFGNX-UHFFFAOYSA-N 431.329 4.672 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 1625487076 WXCBHFURGWRUHE-OALUTQOASA-N 432.973 4.914 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ncc(-c4ccccc4C)s3)ccc2c1=O 1630408063 GJEUBJVOBHCNBZ-UHFFFAOYSA-N 434.546 4.555 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CCCN1C(=O)OC(C)(C)C 1631080553 QZRUQTKFVMUIDV-STWLZBDKSA-N 446.563 4.586 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2CCCCc3cc(Br)ccc32)cc1 1635499669 ZLFWDKOTDLJIPF-NRFANRHFSA-N 427.342 4.728 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(CC)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)C1 1638392434 BZNPEZFAEKMMJG-AREMUKBSSA-N 447.623 4.820 30 10 IJEE Cc1sc(NC(=O)CN[C@@H]2c3cccc(Br)c3CC2(C)C)c(C#N)c1C 1643228898 IFEJNZYDYRLERL-GOSISDBHSA-N 432.387 4.851 30 10 IJEE CSc1ccccc1OC[C@@H](O)CN(Cc1ccc(Br)cc1C#N)C(C)C 1643420976 AYBWTUXKPVJXLE-IBGZPJMESA-N 449.414 4.693 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1Cc2cc(OC)ccc2O1 1651648305 NDDFLJUXRLKPGX-IBGZPJMESA-N 443.956 4.801 30 10 IJEE C=CCOCSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCCCC3 1651654210 TZNLEGNXAKEYAZ-UHFFFAOYSA-N 428.579 4.977 30 10 IJEE C#CCN(C(=O)c1cc(-n2cccc2)ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1651976306 OIWVNWAPEJRJSQ-UHFFFAOYSA-N 441.959 4.606 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SC[C@H]1CCC[C@H](C(F)(F)F)O1 1652469080 AJBJQGHTCSOUDQ-CZUORRHYSA-N 431.455 4.774 30 10 IJEE C=CCn1c(C)cc(C(=O)CN2C(=O)[C@@H](c3ccccc3)N(Cc3ccccc3)C2=O)c1C 1652584966 ARPUOMZAQKAWTK-RUZDIDTESA-N 441.531 4.679 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cnc2sc(C(=O)OCC)c(C)c2c1)c1ccccc1 1654686274 FZDSWUCAKXOJGE-LJQANCHMSA-N 444.578 4.767 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2cc(Br)c3c(c2)OCCO3)cc1 1657496656 VCQZJZOMLCJQJA-UHFFFAOYSA-N 443.341 4.647 30 10 IJEE C=CCN1CC[C@@H](N[C@H](CC)c2ccccc2OCc2ccccc2Br)C1=O 1658031338 LJGCHTQYKKCCSX-NHCUHLMSSA-N 443.385 4.856 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 1659229275 AZBWHWXMWFNJST-NRFANRHFSA-N 441.572 4.588 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(F)cc1 1659309848 TVNOXXPDJMRAIM-FQEVSTJZSA-N 441.304 4.523 30 10 IJEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1668913126 APTVHIGPYRXWOZ-MRXNPFEDSA-N 440.466 4.830 30 10 IJEE C=CCC1(CNC(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CCCC1 1672666714 PAKIXBMJTFJPTF-UHFFFAOYSA-N 427.589 4.916 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1)c1ccc(Cl)cc1 1672889465 NHRWSGUBSQIOIF-IBGZPJMESA-N 448.350 4.737 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)Cc3cc(Br)ccc3F)cc2n1 1675012641 AWVTYOJNPMHKJK-ZDUSSCGKSA-N 431.309 4.877 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 1678403035 CUROOESJUYVEHU-SFHVURJKSA-N 426.479 4.779 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Br)cc1 1679159796 KNWMXXAOCTVTNZ-TYCQWZJGSA-N 427.342 4.591 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)[C@@H](OC)c3ccc(Br)cc3)cc21 1680802404 PIPTXPQTMMIEJU-VBKZILBWSA-N 443.345 4.883 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1682902128 NHVWLMPTHGDXOX-WGSAOQKQSA-N 433.568 4.854 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1F 1683688432 CPOGKFWTABIYMZ-WIYYLYMNSA-N 449.954 4.586 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1689922074 BGZQKEPUWNQGBE-IBGZPJMESA-N 440.588 4.550 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1690155046 DHBMVSIYRZLMJM-SFHVURJKSA-N 444.620 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC(F)(F)CO1 1690256641 QWKIZAALPWQADG-MAUKXSAKSA-N 440.922 4.898 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H](C)C1 1690319067 BWTNXPZDMVGLNG-HZPDHXFCSA-N 439.387 4.849 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@](C)(O)CC)CC1 1690406330 BKUNRZMNZPLIKO-VWLOTQADSA-N 426.605 4.933 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC=C(C)C1 1690502839 HYRABGDEVOIMLX-UHFFFAOYSA-N 431.378 4.765 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1c(C)noc1C 1690518244 BDHNKUQREQTQGP-NSHDSACASA-N 436.379 4.800 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1cccc(Cl)c1C 1690607090 CBXHIBWEEXIYRV-LJQANCHMSA-N 426.948 4.620 30 10 IJEE Cc1ccc(SCc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1 1693161843 GRTUVMVRJTUYBK-RTWAWAEBSA-N 439.629 4.560 30 10 IJEE COC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1697086987 AXQRSKNWFDMJDJ-CYFREDJKSA-N 425.577 4.590 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)C1CCCC1 1705531172 ZYKLPDVCSHHTSE-UHFFFAOYSA-N 431.378 4.899 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C 1705619037 FCVHCVTYEVLTIX-URXFXBBRSA-N 447.558 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1sc(C)nc1C 1705713239 YCYPXPUHHYTGOE-UHFFFAOYSA-N 433.585 4.859 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1705729518 BYLRFVYKEKIIGW-UHFFFAOYSA-N 432.515 4.848 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCOCCCC)CC1 1705778950 PJUKAGJXUQJVBH-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)C1CC1 1705789754 WEBZPROLBOCWNC-UHFFFAOYSA-N 434.588 4.827 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCC2)C1 1705812354 XQROXNSOHZDYDV-LJQANCHMSA-N 426.561 4.542 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CC)C1 1705817048 BHLVKIQXCXJAJT-UXHICEINSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1705821291 QSLLRGYXWZTELY-BEFAXECRSA-N 429.615 4.628 30 10 IJEE C=CCSCCn1c(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)nnc1C(C)(C)C 1705949792 JMQUQAGBPVMZHR-SFHVURJKSA-N 430.593 4.733 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)SC)CC1 1709875268 AQXTVAZLXXHKRG-FQEVSTJZSA-N 427.618 4.744 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1712882859 HIAAXNXNJLDCJB-PKOBYXMFSA-N 446.020 4.515 30 10 IJEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722424965 GWKYMYDERVEGRK-IRXDYDNUSA-N 445.489 4.806 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](COC)C1 1722479345 COOKDLNBQIQKGR-ZDUSSCGKSA-N 443.748 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCCCC1 1722492737 UGFYRVITYFWKGQ-DXIQSLLYSA-N 428.552 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(OC)C1 1722496307 KIHNXKJLYUAEQE-NYDSKATKSA-N 430.980 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCC1(COC)CCCC1 1722497844 FIHLJXMCJWTWIG-XMMPIXPASA-N 440.563 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC[C@H](O)C1 1722503134 YPYQLDABCMLAJW-FKBYEOEOSA-N 426.605 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1722512639 HHQDZNCCGJEYCV-UHFFFAOYSA-N 444.624 4.770 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1722522491 SBNZIIPPVKPVMP-IBGZPJMESA-N 439.535 4.611 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCC[C@@H]2CC)CC1 1722564194 KBSXABCXIOTOOW-SFTDATJTSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2ccncc2)CC1 1722574691 PVEYKFWEZBKRRY-HXUWFJFHSA-N 447.583 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1722581335 SYKBSCUFAJPKMS-QGZVFWFLSA-N 444.649 4.641 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722611885 MWLZHHOMPWMCJV-UHFFFAOYSA-N 434.588 4.650 30 10 IJEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC(C)C)C1CCCC1 1722614529 QKEYBUDBFFTXPS-UHFFFAOYSA-N 434.588 4.563 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCC[C@@H]1C 1722692711 UWRNIXPMRVQITR-RXFWQSSRSA-N 438.616 4.884 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2cccnc2)CC1 1731185642 AUGCLQPKBSOLGI-UHFFFAOYSA-N 438.988 4.601 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CCC)CCC1 1740554989 YXEOKBZSCVJKFI-WOJBJXKFSA-N 443.636 4.821 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1CCC(C)CC1 1740565770 HFFTWONFKGNGDK-UHFFFAOYSA-N 440.588 4.789 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1740712116 XGNVHAZQCMTIEN-FUHWJXTLSA-N 434.556 4.928 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCC1 1740740613 WSZXZAUUOMUGFU-UHFFFAOYSA-N 435.366 4.641 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C)(C)CC1 1740742100 CKBCJDFTSLSTME-UHFFFAOYSA-N 441.377 4.666 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(OC)CC1 1740747341 FZTUNFYVTWAKRG-JOCHJYFZSA-N 447.421 4.757 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCC1CC1 1740757621 WQEOKJFMJSYSPY-FXAWDEMLSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1c(C)cccc1C 1740767909 AWYMMHXXLVQWNS-RUZDIDTESA-N 426.605 4.581 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740780488 XDKWAVYSPWSZFG-VQIMIIECSA-N 442.560 4.629 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CCC 1740794629 FHXMKUGFCYJKHE-VQTJNVASSA-N 449.640 4.610 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC=C(Br)C1 1740815371 WURAOHTXJJJNSZ-UHFFFAOYSA-N 437.769 4.715 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740843961 UQXVWLFBCPFGCT-WOJBJXKFSA-N 429.653 4.869 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1740864477 LDKYYYKXGFBVOM-UHFFFAOYSA-N 433.522 4.932 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740868445 KTUKPWYFOBGZJC-ZTNFWEORSA-N 432.996 4.862 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(C)CCCS1 1740913791 HMRGXACHNZGINC-OFNKIYASSA-N 428.602 4.617 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCN(CC(C)C)C1 1740930106 MQXIKJLBTQMFHP-JOCHJYFZSA-N 446.643 4.983 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1740948307 MDVLQRBEFDWNBL-SFHVURJKSA-N 448.905 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2CCC(OC)CC2)C1 1740973501 YKBDITDWSSOTTE-QMUXLKCJSA-N 438.616 4.807 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)N(C)C 1747706777 HZXOYUUXKOPSJU-FQEVSTJZSA-N 436.629 4.739 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1csc(CC)n1 1748652006 VQUMMGPRHXJEFL-MRXNPFEDSA-N 439.654 4.995 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@@H](C)C[C@H](C)C1 1748913005 NTOWWFPEGUPJCU-SFTDATJTSA-N 444.627 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1749131510 SVSOPMNMOCZPQD-CVDCTZTESA-N 439.560 4.535 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1749421662 YLRXYHJIHQSLEQ-FQEVSTJZSA-N 427.911 4.677 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1CC 1749530340 ZERCVFRMBSPVKD-OAQYLSRUSA-N 425.621 4.552 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCSC2(C)C)C1 1749696099 PYCDAGJFUZJQPL-HKUYNNGSSA-N 433.021 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1C(F)(F)C12CCC2 1760097346 DAWMQGNTRONZOJ-ILZDJORESA-N 428.527 4.928 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC[C@H](C)C1 1760107637 VZGKHPDTLCOOAC-RBUKOAKNSA-N 444.023 4.577 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCN(C(C)C)C1 1760164819 AOROJLZJRFKCHR-HSZRJFAPSA-N 444.627 4.542 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1c(C)noc1C 1760225800 YONCZBWLBUAFKE-LAUBAEHRSA-N 435.572 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1N(C)CCCC1(C)C 1760298408 HEHQMEHBPWUIIV-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC[C@H]2CCCCO2)CC1 1760386399 WMDNVEGKMZNDJC-QGZVFWFLSA-N 431.378 4.823 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@](C)(O)C(C)C)CC1 1760396404 CQQACLDRDDWYIU-CLOONOSVSA-N 442.604 4.626 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CCOCC)CC2)CC1 1760406173 VKNRPYHTIMVWIT-NHCUHLMSSA-N 430.637 4.806 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1)c1ccccc1 1760420599 RIKCXUYCDWTFHY-JTHBVZDNSA-N 438.616 4.611 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1760452487 DQPPSMRGMVQIGB-OALUTQOASA-N 432.659 4.802 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C(C)C)N1CCCC1)C1CC1 1760471909 NNRGIMMCQZPVQN-OAQYLSRUSA-N 444.023 4.882 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CCC2CC(OC(C)(C)C)C2)o1 1761742861 DDIGKHVYPHCZJC-UHFFFAOYSA-N 425.577 4.960 30 10 IJEE CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1762517052 GPYPMTRVXJIDGC-GOSISDBHSA-N 438.370 4.791 30 10 IJEE COc1ccc(/C=C2\SC(=NN=Cc3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 1772758500 XGJNGTPKYBOXIP-JWZGDWNOSA-N 435.480 4.934 30 10 IJEE Cc1c(OCC(=O)OC2CCC(C(C)(C)C)CC2)c(=O)ccn1Cc1ccc(C#N)cc1 1857918577 YFMMMJVXNTYZRN-UHFFFAOYSA-N 436.552 4.604 30 10 IJEE CC(C)(C)c1nc2ccc(C(=O)NCCCCCC(=O)Nc3ccccc3C#N)cc2[nH]1 1860883979 VGSXXMPWHYJXAP-UHFFFAOYSA-N 431.540 4.661 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC)c(OC)c1 1862437043 IFBDBILONZRLBO-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862451160 YDZXICWOCZOHQF-NRFANRHFSA-N 441.911 4.965 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)c1 1862490587 ZDJCJBZQKIBKKN-XMMPIXPASA-N 445.490 4.969 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862503901 HWSXKDPNFREHOZ-QFIPXVFZSA-N 430.435 4.987 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862520065 ZGUKZDUVOICWBG-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2F)c1 1862556387 VQBRLRZXVSOTEI-QHCPKHFHSA-N 430.479 4.803 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862688372 VUXYQARCGSSEQF-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 1862688572 ZNROOERVRIHSKI-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)c1 1862698425 HIFMMKFUMWZIQA-WAIKUNEKSA-N 429.472 4.740 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCCCCO)C1=O 1863768316 REFXMDVDHVESHQ-UHFFFAOYSA-N 444.616 4.668 30 10 IJEE CCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867010016 BHBPFKHAZALDHK-DNQXCXABSA-N 433.552 4.764 30 10 IJEE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867132135 OHHLHSBXIHHPHU-URXFXBBRSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H](c1ccc(F)cc1)C(C)C 1868699812 LPUFJXIAFKJRDY-LOSJGSFVSA-N 436.571 4.884 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(C)c1 1870109028 HBWLXCJHRZMJQH-IBGZPJMESA-N 431.540 4.653 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 1870140934 RCFAEZIGNGANSR-CXUHLZMHSA-N 428.540 4.760 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 1870149493 VFXZPVCSRMNLKX-UHFFFAOYSA-N 429.402 4.589 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc3ccccc3c2)c(=O)cc1CN1CCCCCC1 1870396017 YPVORCMVARQXRY-UHFFFAOYSA-N 445.563 4.581 30 10 IJEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)o1 1871439177 LXJCNAXCEFMZPA-RMORIDSASA-N 448.427 4.769 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCOCCCC)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871662501 FVKPUMQEQRYDKR-UHFFFAOYSA-N 445.011 4.796 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871868198 GNWJFWRIGDQOJU-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872420124 MWUIDRITLDNVBG-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4cc(C)ccc4OC)CC3=O)sc2C)cc1 1872726409 VDRCNZJBCGSBIA-UHFFFAOYSA-N 435.549 4.551 30 10 IJEE COc1cccc(C(=O)[C@H](C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c1 1872782008 AUQXMZNQVOAEEX-HNNXBMFYSA-N 428.897 4.979 30 10 IJEE CCOc1ccc(CCNC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1OCC 1872869540 HGCHNCVGTGOQBX-UHFFFAOYSA-N 444.531 4.907 30 10 IJEE CC(C)c1nnc(SCc2ccccc2F)n1/N=C/c1c(C(=O)O)[nH]c2ccccc12 1873505399 MVZRPKQVIJZAFI-BHGWPJFGSA-N 437.500 4.895 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1cccnc1 1874314151 FLFQWHRLCMMOGN-YZSQISJMSA-N 429.549 4.641 30 10 IJEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccn2)c1 1874344517 QSWIRFJSJQWQHN-YZSQISJMSA-N 429.549 4.778 30 10 IJEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccc[nH]2)cc1 1874349654 XIDJGUZAIQLITE-CVKSISIWSA-N 431.565 4.997 30 10 IJEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccccn1 1874362437 FKPIVNSPPNERJA-ZXVVBBHZSA-N 427.577 4.984 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1 1874400019 GFLRTTWINVXSKW-VKELSTCCSA-N 447.608 4.853 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(C)c1 1874405243 NULRMJXQIUGZNE-LFVJCYFKSA-N 427.618 4.552 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 1874426091 QTCBJTLYZXAIJB-PCLIKHOPSA-N 443.532 4.567 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccs1 1874454271 IVJDTJNDUJYCPM-LPYMAVHISA-N 425.583 4.919 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(F)cc2)nnc1C(C)(C)C 1874483282 NSDOHHONZBMCEQ-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CCOc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874488554 XLFOELHJYQPRNT-OEAKJJBVSA-N 439.541 4.958 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc2c(c1)OCCO2 1874502668 UCVWISNTISJYPH-AFUMVMLFSA-N 446.532 4.523 30 10 IJEE COc1ccc(CCc2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)cc1 1874565310 SRDLMSPEMHEUIO-YZSQISJMSA-N 444.560 4.822 30 10 IJEE COc1ccc(OCCCc2nnc(S)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874568886 WBMNNBMPKWCCHN-WSDLNYQXSA-N 437.352 4.776 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 1874569610 DAQFZNFPTUDGJO-LFVJCYFKSA-N 444.004 4.960 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OCC(=O)NCc1ccco1 1874607010 RBTIWZCHMWYTHL-JXMROGBWSA-N 449.503 4.587 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCCCO)c(OC)c2)cc1OCCC 1874612688 HTAXVPSVPSUWET-JXMROGBWSA-N 428.525 4.930 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1 1874619055 HMSORSGVZHTODF-RIYZIHGNSA-N 431.488 4.926 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3cc(F)ccc3F)n21 1875061685 QOTDJFQSFBZRTF-HNNXBMFYSA-N 438.544 4.845 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)c1cnccn1 1875096383 LNAGTOSTKAQYHX-JXMROGBWSA-N 440.455 4.762 30 10 IJEE CCCCCCCCCC[S@@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882591187 HINLHWLLGCTAET-ACSYHNTCSA-N 425.591 4.646 30 10 IJEE Cc1ccc(-c2cn3c(CC(=O)N4CCC(C#N)(c5ccccc5)CC4)csc3n2)cc1 1892385340 OKMPHKHIWIJUSP-UHFFFAOYSA-N 440.572 4.998 30 10 IJEE CSc1cc(N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)ccc1C#N 1905524643 BEJQVMZIQCMHTG-UHFFFAOYSA-N 425.554 4.838 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)NCCC 1922106399 CLWKYEAQVPAZTC-RBUKOAKNSA-N 430.511 4.973 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Cc2ccc(Br)cc2Br)C1 1980244414 QDVKRWNCFMGHIU-QGZVFWFLSA-N 444.167 4.905 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccs2)ccc1O 2033813440 QWJSYBKCDUTIFG-HXUWFJFHSA-N 439.489 4.532 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(O)CCC(N(C)C(=O)OC(C)(C)C)CC1 2048952540 IYSLWOQKUPZDIS-VVCJCJSVSA-N 446.632 4.668 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2ccc(Cl)cc2Br)C1 2063041384 RLOLRSJEIJFIFL-MRXNPFEDSA-N 430.770 4.867 30 10 IJEE O=[N+]([O-])c1c(Br)nn(Cc2cccc(C(F)(F)F)c2F)c1C(F)(F)F 2079163252 GCDMATQKMOASFM-UHFFFAOYSA-N 436.081 4.779 30 10 IJEE COc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1 2079902533 CTYKKGFLACBPEV-AWEZNQCLSA-N 443.235 4.695 30 10 IJEE Fc1ccc(C(F)(F)F)nc1-c1c(C(F)(F)F)nn2c(Cl)c3c(nc12)CCOC3 2081467023 YDGOVUNCTOOXEI-UHFFFAOYSA-N 440.706 4.694 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)cc(F)c2C#N)C(C)(C)C1 2118196952 OOCNKBDZNCWGKJ-ZDUSSCGKSA-N 426.330 4.732 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124536804 TYCMYDWSNYAZTL-GOSISDBHSA-N 444.381 4.756 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1C#N)c1cccs1 2124723988 LLCOXVCTOLSGPQ-HNNXBMFYSA-N 436.331 4.587 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(c1cc(Br)c(C#N)cc1F)C1CC1 2174812328 JYLSLQLNORGRDL-HNNXBMFYSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3ccc(C#N)c(Br)c3F)C(C)(C)[C@H]21 2175897775 DEBSNYKYLPSNQX-DQYPLSBCSA-N 438.341 4.906 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(C)(C)C(=O)Nc1ccc(Br)c(C#N)c1 2180951269 VLJQQKCDKLEWRE-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2Br)CC1 2181100140 GQYNMVPJWNXVGD-CTYIDZIISA-N 436.350 4.590 30 10 IJEE C=CCN(CC[C@H](NCCC)c1c(Br)c(CC)nn1C)C(=O)OC(C)(C)C 2192400815 QDWGZZRXTCBRGM-INIZCTEOSA-N 443.430 4.599 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2ccc(Cl)cc2Br)CC1 2201808236 YSLRKNLOCGSXSR-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE CN[C@H](C#CC(C)(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2213337176 SNJANDFWZUHHOK-JOCHJYFZSA-N 427.633 4.574 30 10 IJEE C=C([C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221685086 MRALNGPUACAYQN-SJORKVTESA-N 427.459 4.646 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)c1 2224125834 WANPZMKJKSQHNM-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(F)cc1Br 2225591666 XAGYUSBERWNHCU-WBVHZDCISA-N 431.321 4.685 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229108950 CVRQGKATRKLDPM-QZTJIDSGSA-N 441.486 4.907 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2231173666 UIZBRNNQDPBTPO-FUHWJXTLSA-N 427.383 4.968 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2232450830 ANPXUAWCPDZOQN-QAPCUYQASA-N 441.414 4.574 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@H]1C 2235718717 DXZJOAKOYQWWDN-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2255662131 UIORJFGMLDNWEX-MRXNPFEDSA-N 429.316 4.705 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2260371699 DAURFDUABJDKIP-PXNSSMCTSA-N 447.450 4.865 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1 2266757420 QTOAKXQRAYCLCX-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE N#Cc1cccc(Br)c1N[C@@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2285235288 TZUULIDEILVRDW-IBGZPJMESA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Br)cc1C#N)CC1CCCC1 2288113528 UHWFHJQQHIXKCV-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296221563 JUXCUMSXHHEDSW-CVEARBPZSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2296267967 YUOVFBSJTLNSER-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2296272103 IABIMGBXSKESBZ-XQBPLPMBSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2296290717 GTVCGVPSLNVDDG-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)CC1CC1 2296310495 KMDHOMBWJNLDQZ-AZUAARDMSA-N 435.406 4.720 30 10 IJEE C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2317347169 SUFREIQJDSALCF-VUSFMPOISA-N 432.370 4.797 30 10 IJEE CC(C)[C@@H]1C[C@@H](Oc2cc(Br)cnc2C#N)CN1C(=O)OCc1ccccc1 2321357639 PYAXOCUSVVLWPS-MJGOQNOKSA-N 444.329 4.530 30 10 IJEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cc(OC)c(OC)cc1OC)C3=O 2322092266 OVQADTKVYSMWEZ-OAHLLOKOSA-N 439.508 4.587 30 10 IJEE COCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(Br)c2)C3=O)C1 2322328729 QSKICTHHHXPWOS-UHFFFAOYSA-N 444.325 4.562 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2322698858 XYVNHJVBSRLGSH-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE Cc1c(OC(=O)CNC(=O)c2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323054818 DUXRLQKPMPFKKF-UHFFFAOYSA-N 447.874 4.600 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)N(CC)CC)c2)cc1 2323154218 IODYQTJITXTWHC-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)NCc1ccco1 2323739021 KOYUPJFFIOWLBJ-UHFFFAOYSA-N 441.430 4.548 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 2324345598 IYOXMPGUPLBONT-GOSISDBHSA-N 435.461 4.625 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(F)cc1 2325513632 SAYAMYZRGUJBME-UHFFFAOYSA-N 430.505 4.704 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1O 2326020219 KILCNUHKGQXQBW-UHFFFAOYSA-N 444.944 4.515 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)cc1[N+](=O)[O-] 2326442502 LKBWETYVEINIJW-UHFFFAOYSA-N 439.541 4.939 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1[N+](=O)[O-] 2326466274 WKMORYPYAXIBDM-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cn(CC)c2ccccc12 2326793729 OGLMQWSQMQEUND-UHFFFAOYSA-N 447.564 4.776 30 10 IJEE COc1ccc(C=Nn2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc1OC 2326881377 TXSDZDCUVCIREY-UHFFFAOYSA-N 426.586 4.658 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCCO)n1N=Cc1cccc(Cl)c1 2327123655 ZOAKQCASLBOTSB-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccco1 2327797818 QBORLTIJBOGXQI-UHFFFAOYSA-N 434.521 4.543 30 10 IJEE CCCOc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 2328082167 LRQNDWIMESVRFR-UNMCSNQZSA-N 441.959 4.653 30 10 IJEE CC(=NO)c1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 2329943654 QZRLDFYZDBOGDY-JTQLQIEISA-N 445.781 4.871 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1F 2331324378 QYQSCWTZNZEIDN-UHFFFAOYSA-N 429.496 4.512 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccccc1F 2331512119 HIQOOWBMXDXCKM-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(F)cc1F 2331629924 FRBLPVZCDOBGTB-UHFFFAOYSA-N 443.523 4.739 30 10 IJEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2332197267 JBLMXSCFZJCZRI-UHFFFAOYSA-N 439.450 4.509 30 10 IJEE CN(Cc1nccn1Cc1ccccc1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578593 JCKQIYWFULOVOF-BUHFOSPRSA-N 430.361 4.607 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339598848 ISOUOLNGORXCND-WTWCKAPFSA-N 444.381 4.798 30 10 IJEE Cc1cc(CN[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2343582360 DFQGSLAERWDTRY-BJKOFHAPSA-N 435.417 4.768 30 10 IJEE CN[C@H](C#C[C@H]1CC1(C)C)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2365079282 FNGYAAIMMHBQCP-UHOSZYNNSA-N 435.406 4.522 30 10 IJEE Cc1cc(CN2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369730946 GXCPHUQGJDZLSM-WMPKNSHKSA-N 446.444 4.533 30 10 IJEE C=CCNc1nnc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)s1 11394102 XHORKYYXFXBDJF-UHFFFAOYSA-N 448.577 4.720 30 10 IJEE C=CCN1C(=O)COc2cc(NC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)ccc21 12081613 MPGYCRHSDPVQCE-XNTDXEJSSA-N 440.499 4.829 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)/C=C/c1ccccc1 16487143 HHCPWTFUQURIKK-DEIPZHPTSA-N 442.584 4.950 30 10 IJEE CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(N2CCOCC2)cc1 20074759 CUMCEZHBZAPFSN-UHFFFAOYSA-N 435.564 4.923 30 10 IJEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)c(Br)c2)cc1 20882576 JRUMJDMGNYXZDV-HZPDHXFCSA-N 428.301 4.901 30 10 IJEE C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)s1 25527480 OXLCXSLVNXQXGJ-QMMMGPOBSA-N 434.768 4.638 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccc(OC)cc2)c(C)n1 32972943 SLRJXKYUAIROPN-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(OC)c1 59807943 GPUONCFJRVIRHX-UHFFFAOYSA-N 428.945 4.914 30 10 IJEE C=C(C)COc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 66062229 FLMYFUJDXMDAKG-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE COc1ccc(C(=O)/C=C\c2cn(C[C@@H](O)CN3CCCCCC3)c3ccccc23)cc1 96498691 SFTBTYLQZYDNTR-QPMFXJJASA-N 432.564 4.783 30 10 IJEE COc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c1 100373130 RLOXOLOMXSCPHH-MCMRFMRISA-N 445.544 4.856 30 10 IJEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)sc1C 103090312 CDBFIMIAGKUWQK-VZCCSQPZSA-N 440.908 4.745 30 10 IJEE COc1ccc([C@@H]2/C(=C(O)\C=C\c3ccccc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 103117861 NDBNRVXRKGIGMS-AETVWWDQSA-N 441.483 4.886 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](C#N)c3ccc(F)cc3F)cc12 111028915 LUJDERCIYSJVRF-SFHVURJKSA-N 426.423 4.807 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 169958554 VUGDMCLTTVWDBH-HXUWFJFHSA-N 425.362 4.592 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccncc2)cc1 170027160 SJZYPQXQCRXHQJ-JOCHJYFZSA-N 438.487 4.612 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1c[nH]c2ccccc12 170188726 XAZFECZPWKJYRV-OAQYLSRUSA-N 429.863 4.999 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1cccnc1 170195935 LNJOVSDDQVZJIA-FQEVSTJZSA-N 444.915 4.521 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1cccs1 170269955 JEAPNPDJGBBVSK-OAQYLSRUSA-N 433.485 4.564 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(C)o1 170311276 KFTKFLFHCBBNCJ-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1Cc1cccs1 170312722 GBHAUGLOLNEGRW-IBGZPJMESA-N 437.542 4.831 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)nc1C 170555730 PTXGOGVSDSYUIP-UHFFFAOYSA-N 427.913 4.737 30 10 IJEE C=C(/C=C/C(=C/C)N1N=C(C)/C(=C\c2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)C1=O)CC 229771624 DZVYXLGRIWUMJA-OLVQRVJUSA-N 441.487 4.858 30 10 IJEE COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C(=Nc3ccccc3)S2)c1 254702616 WFWNTOZXAYJCPN-OAQYLSRUSA-N 431.517 4.860 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)[C@H]2C 439944184 SFNXORIQMQLFJN-ROUUACIJSA-N 428.540 4.788 30 10 IJEE C=CCC[C@H](NC(=O)N1CC(C)(C)O[C@]2(CCOC2)C1)c1ccc(C(F)(F)F)cc1 474551392 BZTZMHRTPJKRTL-GHTZIAJQSA-N 426.479 4.692 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 505010800 LXRFXYCRZYIIML-UHFFFAOYSA-N 435.568 4.513 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508894632 LPPDGDMATFLVMV-OAHLLOKOSA-N 442.951 4.684 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccc2OC)c(OC)c1 526519692 DLLYWDNRVKJUSI-XMMPIXPASA-N 442.471 4.641 30 10 IJEE Cc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 526608712 MQBKXUUAQFYEDL-JOCHJYFZSA-N 427.416 4.538 30 10 IJEE CCN(Cc1ccccc1)C1=C(SCc2ccco2)C(=O)N(c2ccc(C#N)cc2)C1=O 526692940 DBNWTCZZUSEQGM-UHFFFAOYSA-N 443.528 4.692 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 534570418 UTLFODYVGMLKAT-GOSISDBHSA-N 431.277 4.840 30 10 IJEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1csc(-c2cccc3ccccc23)n1 540860702 IPJOWHFTDBKVBE-UHFFFAOYSA-N 445.504 4.502 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nn(C3CCCCC3)cc2C)nnc1-c1ccco1 542204910 HBGFTLZOEKIOQD-UHFFFAOYSA-N 440.573 4.855 30 10 IJEE CCOCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C)(C#N)CC1 577008770 WTOACYRZZRVAKZ-UHFFFAOYSA-N 439.604 4.846 30 10 IJEE CCCCS(=O)(=O)OC1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 586507819 DZOGXSRCWIIMMF-UHFFFAOYSA-N 443.609 4.783 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)c(F)c1 609469800 MJXRWLOIBLJZJG-XMMPIXPASA-N 442.494 4.996 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(Br)c1 643095097 FMSBEBFHBMICQY-UHFFFAOYSA-N 427.437 4.609 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)OCc1ccccc12 670216270 ABVWLGAPVGMPDV-UHFFFAOYSA-N 430.552 4.502 30 10 IJEE N#CCOc1cccc(CC(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)c1 760472721 XBDPHMAXYCMBGP-UHFFFAOYSA-N 445.704 4.576 30 10 IJEE Cc1c(Cl)cccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(CO)c1 762437344 HYCSPSRYMCNMOY-UHFFFAOYSA-O 436.944 4.623 30 10 IJEE CC[C@@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)ccc1C)c1cccs1 762441139 VJQMROYWIPXSKC-LJQANCHMSA-O 436.582 4.873 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 780776747 GPGRWSPPQDXJAP-NTKDMRAZSA-N 437.565 4.550 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 800778257 COOWZAIAKZRQJH-OAQYLSRUSA-N 426.923 4.874 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 875168319 UBDBGIJDDJSVLK-OAHLLOKOSA-N 448.610 4.863 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1cccc2ccccc12 1084043642 SEKAAFODXXPCHV-LUQPOPLCSA-N 428.521 4.800 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ncccc1SC)c1ccc2c(c1)OCO2 1124144697 BDYUIBMSCGHPRG-UHFFFAOYSA-N 434.517 4.944 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)cc2n1 1134066866 FSAXPDBGWQQKKU-HXUWFJFHSA-N 443.334 4.772 30 10 IJEE C=C(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1141204647 YSNURHWPKQUEFW-VWLOTQADSA-N 425.532 4.745 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1142543873 GVPSOIGFVFIGNS-KRWDZBQOSA-N 436.512 4.721 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 1153695694 PUOHUSWOQWHJOR-LEWJYISDSA-N 444.959 4.539 30 10 IJEE COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1167543874 GDNJYDWXRYVMAZ-LJQANCHMSA-N 444.579 4.535 30 10 IJEE CC[C@@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1nnc2n1CCCCC2 1171941853 DOKMVZJRBSGEBQ-JOCHJYFZSA-N 445.567 4.705 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1OC 1182203980 OLIZHJLFJQMBGU-WMZOPIPTSA-N 438.996 4.896 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccccc1 1198841970 HXOANGAQIHPOFE-FQEVSTJZSA-N 431.533 4.585 30 10 IJEE C=CC[C@H](CC)NC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1209153398 QSCXHKUUTYMYFZ-INIZCTEOSA-N 446.345 4.603 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccccc1 1254094494 QRZLURQFYDIPEH-UXHICEINSA-N 429.923 4.981 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@@H](SCC)C1 1286337203 BMOYFPQXYMYLSV-HXUWFJFHSA-N 434.613 4.861 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC2(CCC2)C1 1286344155 DVVQLTCBOYZINM-UHFFFAOYSA-N 429.362 4.510 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1286499142 DPIYOSWADZFBRL-RTBURBONSA-N 445.032 4.608 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286523280 SMFNQGDMNYJLJU-XHNVNVPESA-N 443.636 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCc1ccsc1 1286529058 SABOGHTZSOVRTD-HSZRJFAPSA-N 438.622 4.875 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1286542909 DXYHWLBWXJLDJQ-RHSMWYFYSA-N 448.236 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286554765 IFROYKBOJZHJTO-YOEHRIQHSA-N 441.523 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1cccc(Br)n1 1286571456 QGAJXGWCNSXGIP-UHFFFAOYSA-N 430.325 4.692 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1nnc(C(C)(C)C)s1 1286581265 OCDWRXCOVVFIQR-UHFFFAOYSA-N 446.571 4.747 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCS2)CC1 1286654704 ITHFWORCROKZFE-NRFANRHFSA-N 428.602 4.650 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CCC1=CCCCC1 1286740687 UMFOXGRVIOUBHH-UHFFFAOYSA-N 430.556 4.827 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC)n1Cc1ccsc1Br 1286762334 FHZQMYUVTDBUNG-UHFFFAOYSA-N 431.403 4.948 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1286764313 LQMFEVISWJBHDA-KNQAVFIVSA-N 437.588 4.943 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1286797976 FNSCYRJHXQXRHB-KCZVDYSFSA-N 442.629 4.853 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2CC(C)(C)C2)C1 1286802771 BMUCYFCJWHXJHB-KRWDZBQOSA-N 445.405 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2nc(C(C)C)cs2)C1 1286807573 PKCXRKUOWOQJMW-HXUWFJFHSA-N 437.613 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(C)C)C1 1286813482 VUHNTSPBPPHVEW-JOCHJYFZSA-N 426.605 4.982 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CC=CCC2)C1 1286813709 AFMYRPAIMLKOEE-VQTJNVASSA-N 440.613 4.717 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1286833381 ASCVHUGTJHUMRD-QFIPXVFZSA-N 435.597 4.533 30 10 IJEE C=CCc1cc(C(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)cc(OC)c1OC 1287270550 FZZNSVJXEFWOHZ-UHFFFAOYSA-N 436.596 4.948 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 1293103676 VNKIVCCZRHDTIK-LJQANCHMSA-N 447.576 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(SC)CCC1 1300276734 QHKZSJGHJSJERL-ZDUSSCGKSA-N 437.382 4.590 30 10 IJEE C=CCCSCCNC(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C 1300453620 VEESMBXRJQOPPF-UHFFFAOYSA-N 439.647 4.605 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCC1(F)CCC1 1300648614 GJZGPMRTPMXJSI-UHFFFAOYSA-N 426.536 4.992 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1ccc(OCCC)nc1 1300649373 VGPKUTUVXKCMTF-UHFFFAOYSA-N 433.531 4.557 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1300743624 WCBNZPANFATRGX-UZUQRXQVSA-N 439.654 4.628 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)(C)C)CC1 1300878069 ZRVVWTGLMGWVEZ-JTHBVZDNSA-N 449.599 4.582 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1301203602 XKTWKKIGXIDKCJ-IRXDYDNUSA-N 432.410 4.593 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CCCC2)n1C[C@@H]1CC(F)(F)CO1 1301402869 RJYFYERIYVTRBD-NRFANRHFSA-N 430.543 4.670 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1301444610 UIFXJCHWJVCFFH-ZWKOTPCHSA-N 449.368 4.817 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)cc1 1301527628 ZJUIGPVCYOJCCJ-NRFANRHFSA-N 436.600 4.968 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)OC)c2ccccc2c1 1302879255 QULMTBWUTHISOH-UHFFFAOYSA-N 427.460 4.629 30 10 IJEE Cc1csc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)n1 1304629684 BFBJITISDITWNP-GOSISDBHSA-N 437.331 4.507 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 1307250460 GSFYXYJEVXLOKR-SFHVURJKSA-N 429.929 4.800 30 10 IJEE C#CCN(C(=O)Nc1cccc(OC)c1C)[C@@H]1CCOc2ccc(Br)cc21 1310999019 SDOKRKWFLFIXGO-GOSISDBHSA-N 429.314 4.757 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(COC)c1)c1ccc2c(c1)OCO2 1348808150 XZYCXMNFKHKVAP-UHFFFAOYSA-N 431.488 4.974 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 1350626662 UUTKLPIQZOMBMC-UHFFFAOYSA-N 447.000 4.987 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)CCCN1C(=O)OC(C)(C)C 1351047123 FFUHPWHMZPYADS-RUZDIDTESA-N 447.539 4.681 30 10 IJEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)cc1 1354813996 HHHZTRKEUDKCJL-JOCHJYFZSA-N 440.547 4.765 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC12CCC(CC1)C2 1358880848 UPFAEERIALDKQH-UMRPUCSYSA-N 431.353 4.885 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCOC(C)(C)C 1358924529 ZUBUVOWOWGBQKB-UHFFFAOYSA-N 437.357 4.511 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccncc1 1359000262 QJJLVKGHTYSSEV-LJQANCHMSA-N 437.975 4.786 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1359059602 TVYPYBQCSVQJNS-QGZVFWFLSA-N 426.611 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCc1cccs1 1359067120 BDYQQZCOFJBDMK-JOCHJYFZSA-N 426.973 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](CC)Oc1ccccc1F 1359068934 UZWQDSHWFYYSCY-UQBPGWFLSA-N 433.531 4.637 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN(C)CCC)C1 1359145774 CAXYBOZTZMSDRM-HNNXBMFYSA-N 426.367 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)c1cccs1 1359185009 IOLVSOXHOXFJNV-QGZVFWFLSA-N 448.600 4.782 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc(Cl)ccc2C1 1359197608 UKDZAHUUBMISCI-UHFFFAOYSA-N 429.996 4.769 30 10 IJEE C=CCCCn1c(CC)nnc1N1C[C@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1359216891 HEEMZVUFNDOVCS-PEBXRYMYSA-N 447.942 4.903 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cccc(C(F)(F)F)n1 1359244000 MJXKMZSECVEJAB-UHFFFAOYSA-N 431.462 4.558 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)C1CCCCC1)C1CC1 1359247875 RVXFTSHEEIJUIC-NRFANRHFSA-N 448.409 4.522 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H](C)N1CCC[C@H](C)C1 1359259219 OKDFKWNGNPVCPH-XZOQPEGZSA-N 444.627 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC[C@@H]1C 1359267893 VYPTVLVDEHNDLC-WMZOPIPTSA-N 431.378 4.559 30 10 IJEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC1CC1)C1CCCCC1 1359284406 MGZVHCWTMZTRRK-UHFFFAOYSA-N 426.561 4.706 30 10 IJEE CC(C)(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CSCCS1 1359524224 CRMWDHPQCLTAQR-FQEVSTJZSA-N 441.670 4.756 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2cccnc2)n1CC1CCC(F)(F)CC1 1359929465 GUFZVWBGZFOSLB-UHFFFAOYSA-N 430.547 4.856 30 10 IJEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 1435858367 FRDYJFNTOKCGJV-QGZVFWFLSA-N 430.529 4.652 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CCCC1(C)C 1436083133 FCAFEWYENFNKCK-OAHLLOKOSA-N 437.769 4.890 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1449783341 FVBWXIKOHXXUDF-DEOSSOPVSA-N 426.582 4.670 30 10 IJEE C#CCN(C(=O)C1C[C@@H]2CCCC[C@H](C1)C2=O)[C@@H]1CCOc2ccc(Br)cc21 1456447356 LCWORKGEGHOUOD-YUBNGQEKSA-N 444.369 4.520 30 10 IJEE COc1ccc(-c2nc(SCCSc3cccc(OC)c3)nc(O)c2C#N)cc1 1458831270 WSQPIUDDTDWDLP-UHFFFAOYSA-N 425.535 4.622 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1nnn(-c2cccc(Br)c2)c1C 1459783996 DDLZVWLBYISLNP-UHFFFAOYSA-N 425.330 4.557 30 10 IJEE CCC[C@]1(C(=O)OCC)CCCN1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 1460036193 DVPMKPSQAPOXAM-AREMUKBSSA-N 436.552 4.844 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 1463863851 FLLKSPOAHNXWED-OAHLLOKOSA-N 448.304 4.934 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 1464679064 YOZXLVJXQKHXJI-HXUWFJFHSA-N 447.963 4.769 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC)CC#N 1466681800 FAYDWTZRRGRLRD-RHGYRFJNSA-N 433.552 4.748 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](c3ccccc3OC)N3CCCCC3)cc2n1 1467353982 VYGYDWRXPORYBW-HSZRJFAPSA-N 433.556 4.580 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccccc2Cl)CC1 1467865023 YPILDMYGDQTGCQ-LJQANCHMSA-N 435.996 4.628 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1468451385 QGCZNIZIXJBXIZ-GOSISDBHSA-N 443.341 4.829 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)c1ccc(Br)cc1 1468537227 LGPSQFTZNOOXCF-LPHOPBHVSA-N 425.330 4.696 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@H](c2nnc(S)n2C(C)C)C1)c1ccc(F)c(F)c1 1469855566 DYDSHLMNJGOBRW-MAUKXSAKSA-N 435.544 4.632 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1nc(C(F)(F)F)ccc1C(=O)OC 1473017166 HQPITRSNDPLEQC-UHFFFAOYSA-N 442.484 4.896 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 1476193455 YUNXBIBGDVXFJN-UHFFFAOYSA-N 427.476 4.849 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)CC1 1476551263 VCZMACULSYBDBP-UHFFFAOYSA-N 426.369 4.976 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1507571795 NHPNQIHCGOBJJV-CIAFKFPVSA-N 442.648 4.784 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1Cc1csc([C@H](C)OC)n1 1507699705 JOZXWMZWJMYPEF-SJORKVTESA-N 441.576 4.783 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(CC)Cc1ccc(Cl)s1 1507755491 VDUYVPFPOSDTGH-MRXNPFEDSA-N 425.023 4.628 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 1507800160 ZFBKNEMWSHTNLI-PKOBYXMFSA-N 433.021 4.912 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1507845465 GYDCXBYMTJVBTD-UHFFFAOYSA-N 445.007 4.512 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1507904657 NCKNFOXDUFWPHR-HSZRJFAPSA-N 435.660 4.976 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C 1508032818 IDUYCVJPHUZBJD-MOPGFXCFSA-N 430.618 4.532 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCOC)Cc1ccc(C#N)cc1 1508048555 TXNJXLSFJOQJQK-SFHVURJKSA-N 447.608 4.842 30 10 IJEE C=C(C)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1522315390 WRPGUTZHNLPMSO-SQJMNOBHSA-N 436.552 4.579 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Br)c(C)c2F)CCCN1C(=O)OC(C)(C)C 1524795956 RMMQOWOPXWEFPZ-HXUWFJFHSA-N 439.325 4.628 30 10 IJEE CCc1ccc(Br)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1525424209 AJBKGUWYHITFSU-UHFFFAOYSA-N 431.305 4.706 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)c2C#N)[C@H](C)C1 1527031412 AYJIGMOGBVYCOM-UONOGXRCSA-N 428.579 4.742 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(C)c(Cc3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 1527263967 ZFRBTKBOYLPPKF-XMMPIXPASA-N 439.581 4.774 30 10 IJEE C=CCCSCCNC(=O)c1cnc(-c2cc(Br)ccc2OC)s1 1527934139 SIWQTORKOIKZBQ-UHFFFAOYSA-N 427.389 4.620 30 10 IJEE C#Cc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)c1 1532232743 QNOBSANBHIYNMH-GOSISDBHSA-N 429.314 4.635 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 1535429911 ORXQONVOZNIXCA-UHFFFAOYSA-N 432.274 4.749 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnn3cccc(Br)c23)c1 1536871641 LRGOMVIDVUHNST-UHFFFAOYSA-N 436.334 4.987 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)CCCN1C(=O)OC(C)(C)C 1537233591 JRDQMEFYOHURBA-XKDCRVNJSA-N 436.980 4.878 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1538992774 YGWPOLJODFUVGP-DMJCMNNJSA-N 440.588 4.548 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC2(CC2)C1 1539065329 FKQBKMXYNOIDOP-HXUWFJFHSA-N 441.620 4.577 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCc1csc(C(C)C)n1 1539245863 LHMXDOGPDOSHSB-UHFFFAOYSA-N 429.549 4.587 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@](C)(CC)O1 1539350954 GUTMTSBAFVIGQW-KUHUBIRLSA-N 437.407 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1(CC)CCCC1 1539542445 ZVWWWCUKTPXAJZ-HXUWFJFHSA-N 430.394 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CCC(C)C 1539622414 FVPLNLATDGSXKN-CTNGQTDRSA-N 442.995 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC1CC2(CCOCC2)C1 1539671765 OAMUEFMIESCWPQ-UHFFFAOYSA-N 430.543 4.756 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1539779565 BJNLLAIPGQJWRS-HALDLXJZSA-N 437.769 4.703 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccccc1)CC1CCOCC1 1539912963 WPEJVFZKMYQTBI-UHFFFAOYSA-N 448.615 4.714 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(C(C)C)CC1 1539954838 FZTUJIBVTSQVJI-UHFFFAOYSA-N 432.012 4.884 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539959646 NEAGEUNDDMFTOX-KRWDZBQOSA-N 429.540 4.544 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccsc1Br)C1CC1 1540102202 IDWFMECPASGTMN-UHFFFAOYSA-N 440.370 4.844 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1csc(C)c1 1540120349 SGMZMJNYKYCEOX-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CC1(SC)CCN(C)CC1 1540133669 IXPFCSDDYCPAAW-LJQANCHMSA-N 445.652 4.951 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1ccc2c(c1)OCCCO2 1540147414 RFGYDFYTULILSF-UHFFFAOYSA-N 438.597 4.940 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1csc(COC)n1 1540154447 WQGDBPDOBBGDFF-UHFFFAOYSA-N 446.580 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1540175471 ZKWVWWSTXJKNGQ-XUZZJYLKSA-N 449.599 4.748 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCc2ccccc21 1540857638 JRYXHEQGVCTBHE-PZJWPPBQSA-N 437.588 4.702 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](CCC)C1 1540910792 HUQBMLJJDWRVNS-KRWDZBQOSA-N 437.009 4.532 30 10 IJEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CC[C@H](F)C1 1541151739 CMBCMQPZOQQLMV-MOPGFXCFSA-N 425.552 4.633 30 10 IJEE Cc1csc([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)n1 1542847517 IAXXIRGUGWYMNB-OXQOHEQNSA-N 436.585 4.596 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1cccnc1 1542942338 YFARDQLQWIEESV-VWLOTQADSA-N 441.531 4.918 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 1543381884 PXCOXOAOKVKWTR-UHFFFAOYSA-N 431.414 4.812 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2cc(F)ccc2F)CC1 1543639623 VKQKYMYABZMABA-UHFFFAOYSA-N 426.385 4.511 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](c2ccco2)N(CC)CC)cc1 1546180680 AFHPUJBTMILHAT-QHCPKHFHSA-N 446.599 4.924 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1scc(C)c1I 1556214689 YQGMKOVOCUXJNM-UHFFFAOYSA-N 427.307 4.811 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2F)C(C)=O)nc2sc3c(c2c1=O)CCC3 1559328412 AAFGRYABDFDGDW-GOSISDBHSA-N 446.544 4.703 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCSc2ccc(Cl)cc2)s1 1562015109 FMSGALTXMLOTAS-HNNXBMFYSA-N 427.016 4.999 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Br)c(F)c1)c1ccc(Br)cc1 1563951384 JIFUEZDFFZUXCY-MRXNPFEDSA-N 440.110 4.524 30 10 IJEE C=C[C@@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)c1ccccc1 1566165011 PLUOWOBMNFSQIP-NFBKMPQASA-N 441.499 4.544 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)nnc1-c1ccco1 1584984375 BETBJUWRTQSZLZ-GOSISDBHSA-N 444.507 4.848 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCc3sc(Cl)cc3C2)nnc1-c1ccco1 1585973233 DDNKVNZEDNOABM-UHFFFAOYSA-N 434.974 4.506 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2cccc(C(=O)OCC)c2[nH]1 1586151781 AFKWJJZZISHSKT-UHFFFAOYSA-N 433.386 4.576 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCS[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 1586670909 OYNCQIWJDUGQFM-IAQYHMDHSA-N 443.425 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(O)(CCC)CCC 1587586194 KJWKFIAWXBMYAE-KRWDZBQOSA-N 447.421 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC1CCCCC1 1587593571 MUFHYTXJWRFZQQ-KRWDZBQOSA-N 430.980 4.804 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)n[nH]2)c1C 1588079726 UMFBRZGXQIRRRG-UHFFFAOYSA-N 427.508 4.907 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)[C@@H](F)C1 1589316639 FFTGMWFXYJUIIO-ZOWXZIJZSA-N 439.398 4.834 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Br)cs2)CC1 1594236712 GWQFRPUMPFGMOR-KRWDZBQOSA-N 437.407 4.794 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)c1ccccc1 1594543490 ATNQFFZGXFSCSG-ZJSXRUAMSA-N 432.616 4.639 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@@H]1CC 1594793092 GGJYULJDIDQUNY-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@H](O)C1 1594855354 BNBRQZRFMCGWOB-BJLQDIEVSA-N 432.996 4.862 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1595196610 YNDCCEFBJDOZJO-OYRHEFFESA-N 432.616 4.752 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(COc2ccccc2)CC1 1595866569 PIAVIODLWQYFFI-UHFFFAOYSA-N 435.597 4.555 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](CC)O[C@H](C)C1 1595871594 VBSMTBOCYUDHJP-MJGOQNOKSA-N 439.585 4.523 30 10 IJEE C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)C1 1612789244 BOPYMWQCZCBRDA-SFHVURJKSA-N 430.556 4.674 30 10 IJEE C=CC1CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 1615519872 OJHSQAQPKVBALT-QFIPXVFZSA-N 442.485 4.685 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-c3ccccc3F)nn2)CCCN1C(=O)OC(C)(C)C 1617060664 ZMPAZVXISXNNAH-QHCPKHFHSA-N 426.492 4.567 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](CCc1ccccc1)C(F)(F)F 1624050548 HSKTVVCUSDRQMT-HXUWFJFHSA-N 429.442 4.731 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1)C(=O)OC(C)(C)C 1632286827 NKYDUXZRZKDQRG-UHFFFAOYSA-N 426.538 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 1634216559 ZGSQDGQUYDPSEP-KKSFZXQISA-N 429.904 4.571 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)c2cccc(Oc3ccc(Cl)cn3)c2)CC1 1634973240 FQIUESBOAXCLKQ-UHFFFAOYSA-N 432.911 4.798 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 1637229276 XFZDDJRPQQTZEX-HXUWFJFHSA-N 438.568 4.823 30 10 IJEE C#C[C@H](C)N(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1639772542 NXYVHLRNXCGCGH-SIBVEZHUSA-N 438.527 4.747 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COc2ccc(Br)c(C#N)c2)ccc1Cl 1644279219 FFBAVNCJYNEYQW-UHFFFAOYSA-N 432.705 4.608 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1c(OC)ccc2ccccc12 1645027084 UDUABYQMRGGTLM-UHFFFAOYSA-N 427.504 4.571 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3ccc(C#N)c(Br)c3F)C[C@@H]21 1651678392 QFWVOEVBZVYKDR-QLFBSQMISA-N 438.341 4.589 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 1654337576 AYPDFLPHKUWHCU-UHFFFAOYSA-N 431.402 4.975 30 10 IJEE C=CCn1c(SCCS(=O)(=O)c2cccc(Br)c2)nc2ccccc21 1656005260 XFQJERJUPGHRSH-UHFFFAOYSA-N 437.384 4.551 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)c2ccccc21 1658859812 CIZCMHQKDNERSG-GOSISDBHSA-N 441.597 4.913 30 10 IJEE Cc1cc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)ccc1C#N 1659842230 HAMNPFRGAHWBNS-UHFFFAOYSA-N 446.359 4.960 30 10 IJEE CC(C)(NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(Br)cc1 1661375685 BOELRNFFTXPGMU-UHFFFAOYSA-N 447.276 4.553 30 10 IJEE COc1cccc([C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2Cl)c1 1662209266 DZKHRWSVRWMGRA-OAQYLSRUSA-N 447.343 4.942 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 1665813544 GWTNYQSWWJVHLO-WVQWTBLQSA-N 441.531 4.884 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)cc1 1668210090 JBIBUGOIUADWOG-KRWDZBQOSA-N 426.948 4.612 30 10 IJEE Cc1cc(C2(NC(=O)Nc3ccn(CCC#N)n3)CCCCC2)ccc1Br 1669261131 BGCSKLRSOAYMNE-UHFFFAOYSA-N 430.350 4.849 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc(Cl)cc1F 1670664355 PQGNSDHFJQZCDT-MRXNPFEDSA-N 440.277 4.604 30 10 IJEE Cc1cc(C#N)cc(NC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1 1670905454 DZXIZVXGFFDFPI-UHFFFAOYSA-N 439.563 4.511 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ncc(Br)s1 1672214571 TYAUEGQCABHBSF-UHFFFAOYSA-N 447.152 4.555 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1 1673643096 BWPPMWBJMBWZIR-UHFFFAOYSA-N 426.586 4.768 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCCN(c2cccc(Cl)c2C)CC1)C(C)C 1675963868 JHXFGPJMUJAHHB-HSZRJFAPSA-N 433.040 4.569 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CCCC1(C)C 1684042590 GNZGXCKHOALUOV-PMACEKPBSA-N 449.636 4.569 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](C1CC1)C1(CO)CCOCC1)c1ccc(C(F)(F)F)cc1 1685819304 AGDITJAWRIWLSI-UXHICEINSA-N 440.506 4.580 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc([N+](=O)[O-])c1C 1686098930 KJQKIKAIMUILGN-UHFFFAOYSA-N 436.281 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)SC 1690034967 XPPSVTLXCHRKBI-UHFFFAOYSA-N 445.636 4.957 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCC[C@H](O)C1 1690061415 XJQHRLNYRQBKBM-CVEARBPZSA-N 428.989 4.824 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](CC(C)C)C1 1690223006 BIZHWEXTQAPFKQ-MRXNPFEDSA-N 449.393 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(C)s1 1690239717 ZWRXJUVSJITNDB-KNQAVFIVSA-N 438.597 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1nnc(C(C)(C)C)s1 1690259215 BAHKWCVGLCRMHF-UHFFFAOYSA-N 426.590 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1cccc(NC(=O)C2CCC2)c1 1690261241 CPEYBEGKOLXBJF-UHFFFAOYSA-N 430.556 4.529 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2CCOC2)CC1 1690398908 JHXADZKRUBPCTL-MJGOQNOKSA-N 430.980 4.901 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690430908 WTBLJLRISJXMFO-MOPGFXCFSA-N 447.624 4.568 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1NC(=O)CC1(C)C 1690447578 SFKPVYKAIMIVAA-IBGZPJMESA-N 447.986 4.835 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)c1ccco1 1690515897 WPDWGWFLSJFJKQ-GAJHUEQPSA-N 444.963 4.811 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1Cc1cc(C(C)(C)C)no1 1690561225 IEWWDRHYNMTDIN-UHFFFAOYSA-N 432.572 4.875 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CCN1CCC(C)CC1 1690578992 CMZVWKQXJGAXGF-UHFFFAOYSA-N 427.662 4.997 30 10 IJEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)C1 1693676090 DXYIHBFKPUVXPX-IEBWSBKVSA-N 429.515 4.791 30 10 IJEE CCN(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)c1ccco1 1695668732 HURAQTFTOIWFIW-FQEVSTJZSA-N 426.609 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@](C)(O)[C@H](C)CC 1705502304 DUGVOXBFDKJSLA-RNHFSVANSA-N 426.605 4.544 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@](C)(O)CCC(C)C 1705625619 QUNMPMHUHZBLJS-RUZDIDTESA-N 426.580 4.902 30 10 IJEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@H](C)CC 1705665570 XVNQHIJCQIGQPU-MOPGFXCFSA-N 449.665 4.589 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1705751963 DEEYCRMHBAPGGY-HXUWFJFHSA-N 441.938 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CCC(N)=O)CC1 1705786510 PURVWBKZKSPWMG-UHFFFAOYSA-N 429.996 4.683 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1705790793 GIERGIQOYLIXAP-UHFFFAOYSA-N 442.007 4.764 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1705821245 PRGYOUGGJZOLDP-UHFFFAOYSA-N 436.991 4.964 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705837756 NCBCOZCWYXWRON-GOSISDBHSA-N 431.968 4.620 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2CC(F)(F)C2)C1 1705914893 GCPSQAGFKBERCO-UYAOXDASSA-N 446.542 4.862 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCOC1 1705942249 LOAHBEXDBHSWIR-SJORKVTESA-N 432.659 4.523 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cccnc1 1706750907 BNVJTOGBOPRZIJ-IBGZPJMESA-N 432.572 4.531 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccsc1 1722390228 ZZQHCPSYQRRYTH-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC1CC(F)(F)C1 1722404807 DOGDJQDWMJIPRK-UHFFFAOYSA-N 443.723 4.866 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722506145 RKADRCAQQZTFLT-UMEGOILYSA-N 448.652 4.562 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1)c1ccccc1 1722541129 VCSXJLIQPKGBPY-QFBILLFUSA-N 448.514 4.800 30 10 IJEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](CC(C)C)N(C)C)CC1 1722580524 UYVYMFYCWQZHQX-JOCHJYFZSA-N 434.632 4.729 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(COC)cc2)CC1 1722580777 NWKBCIGBRUILNT-DHIUTWEWSA-N 438.616 4.794 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722590380 CIMNZDMBYDHFPI-GOTSBHOMSA-N 443.680 4.723 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722611259 IHDKWPDULKATJK-OAQYLSRUSA-N 444.583 4.778 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC1(SC)CCN(C)CC1 1722668712 XTTVAPDKJQXLKM-UHFFFAOYSA-N 425.646 4.513 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCCC[C@@H]1C 1722669130 NJOJFODTTGHVHN-NRFANRHFSA-N 432.616 4.880 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1C(C)(C)C 1723793702 GRMBVYLAOWFGKX-AVRDEDQJSA-N 449.624 4.965 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccsc1)N(C)C 1740542422 VEZVVKPFXGJCGV-KUHUBIRLSA-N 431.968 4.560 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CCOCC)CCC1 1740663585 NCWKOBUYICQSKW-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1740708993 HSCMNDCOBCHWTC-SFHVURJKSA-N 436.629 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncccc1N(C)C 1740726871 RCYADRMICBXUCS-HHHXNRCGSA-N 442.611 4.744 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(F)(F)Br)CC1 1740827523 AACTZAPSBXXQQH-UHFFFAOYSA-N 441.320 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)Cc1ccccc1F 1740843459 IQIXCQNYEPQHPQ-UHFFFAOYSA-N 436.535 4.693 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1740929855 BGIXHPLGTHYFPN-DEOSSOPVSA-N 446.599 4.608 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCOC[C@@H](C2CCC2)C1 1740999392 GRLSTYVQLVFPOY-SFHVURJKSA-N 433.021 4.771 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCc2cccc(C)n2)c1 1742150961 CXRVJAHQFYIXAJ-NRFANRHFSA-N 446.599 4.973 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CO)CC1 1748698257 FTALSOLFQGTZAA-IBGZPJMESA-N 445.007 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](OC)C(C)C 1748917924 QPBPZJBEJQGLML-IBGZPJMESA-N 426.561 4.943 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCO[C@@H](C)C1 1748935842 BXDYKOYCIPQGEW-VQTJNVASSA-N 445.007 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1Cc1nc(C(C)(C)C)cs1 1749056581 LOJLSYBNIKOKRK-XMMPIXPASA-N 435.597 4.748 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC=C(C)C1 1749120085 ADUFFMLQUYEYFJ-AZUAARDMSA-N 443.389 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCC(F)(F)F 1749133452 LXUVLXQUZWIHAD-LIRRHRJNSA-N 444.448 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1ccccc1 1749133730 PKRFJOOVJBMBKF-REWPJTCUSA-N 437.613 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1noc2c1CCCC2 1749142914 ADMVHUMPKUTOCQ-QGZVFWFLSA-N 439.535 4.875 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1749276693 PZQKBJLRURYWBO-LBPRGKRZSA-N 435.931 4.788 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1C(=O)Nc1ccc(C)c(C)c1 1749283915 DRZJWMWGUWTWEM-UHFFFAOYSA-N 439.951 4.640 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1749348782 YRXNDKSOIKBYLW-DHLKQENFSA-N 449.599 4.582 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1749424712 OKBCREQMUGHNDD-NRFANRHFSA-N 441.938 4.985 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1749457068 NWJHACDSYNSACP-XMSQKQJNSA-N 428.552 4.634 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC1COC(C)(C)OC1 1749607978 ALTMTMQWAJOZJS-UHFFFAOYSA-N 432.977 4.835 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC2CCCCC2)cc1 1749686846 ZWOGYSGDLBCBLO-UHFFFAOYSA-N 448.615 4.769 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H](C)C#N)C1 1750830276 BGCPEOOUTAZIGC-OALUTQOASA-N 429.012 4.562 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1752748778 FYAPLDRESAYHLB-NTKDMRAZSA-N 440.661 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(SC)c1 1760097379 DLFBIAPYVHOTAQ-HKUYNNGSSA-N 435.597 4.658 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1760387295 KFDGMTBRIXXDQS-LJQANCHMSA-N 436.478 4.666 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1760425917 ZKNCAJBZLHMQJU-GPASJLMESA-N 430.618 4.811 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1760475021 QRFNBDDBKOORSM-QGZVFWFLSA-N 445.633 4.588 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCN1CCC(C)CC1 1760479988 HARYOLULGCGLQC-UHFFFAOYSA-N 446.643 4.807 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)CC 1760498229 JTSOMAQVKHMEBA-SANMLTNESA-N 445.567 4.791 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1nc(C(F)(F)F)cs1 1760498345 NYONGWXOURKWNB-UHFFFAOYSA-N 439.507 4.927 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1c(C)noc1C 1760500123 SUCJGQBYRQEYBO-QGZVFWFLSA-N 432.528 4.577 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H](C)C#N 1760690548 DIMVVDBHMPGKLZ-RFWXGWTQSA-N 448.571 4.647 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CC(F)(F)C2)cc1OC 1765983233 ADAXXWLCNRQAQS-QFIPXVFZSA-N 445.514 4.528 30 10 IJEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1767250148 CVBLZRNRWXVAHP-PMACEKPBSA-N 447.505 4.973 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)C(C)(C)C 1770439897 GGFWAIMLFLJDLW-PCCBWWKXSA-N 439.629 4.742 30 10 IJEE CC(C)(C)c1csc(NC(=O)C(=O)NCCCCCCCCCCC(=O)O)c1C#N 1860765867 UYTGVUMMCAXJBM-UHFFFAOYSA-N 435.590 4.567 30 10 IJEE CCOC(=O)c1cccc(CSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)c1 1860825195 RWDDPFHVWVMRTC-UHFFFAOYSA-N 425.897 4.843 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862395506 ZAUVIWKDONGEGD-FQEVSTJZSA-N 448.346 4.907 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Br)cc1)c1cccc(Cl)c1 1862452994 OSFCXNCXAXGGPZ-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)cc1Cl 1862499145 ZIJNBPHIWDLWKI-LJQANCHMSA-N 434.319 4.835 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862589227 HFWYXXUXHRCKBK-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 1862689238 LJYHAGOHRNGILZ-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C 1862721639 HJUPQLMFXQGZAR-XMMPIXPASA-N 427.500 4.887 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(C)c2)cc1 1862736762 OAWVJWMOILWXJO-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 1862748723 IKARPYLEGQRMQX-QFIPXVFZSA-N 446.434 4.555 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccc(Br)cc2)C1=O 1863193580 ASPJTQVAEMLRIN-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1863505078 OAAQDWSTCQNDEI-OAQYLSRUSA-N 430.564 4.815 30 10 IJEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 1863732564 RUOOKAGSGCFYHL-UHFFFAOYSA-N 431.363 4.818 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868400676 ABMYGEMPQXEHLT-LJQANCHMSA-N 427.508 4.767 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3cccnc3)C2)nc(-c2ccc(C)cc2)n1 1869173723 XTKOAPOVGGXTIE-HSZRJFAPSA-N 427.552 4.603 30 10 IJEE C#CCOc1cn(Cc2ccncc2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871007205 QWNNFKZWVOCUMS-UHFFFAOYSA-N 447.844 4.588 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)Nc1ccc2c(c1)OCO2 1871429690 OWCUUIDCDFZLBL-AFPJDJCSSA-N 449.846 4.702 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871780623 PHRWUINWYIMGGD-CQSZACIVSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1cccs1 1872453791 MZGFDVUHZWSKJG-LJQANCHMSA-N 441.018 4.940 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccccc2C)C1=O 1873102147 GMPPQELDXLLRLU-UHFFFAOYSA-N 439.644 4.901 30 10 IJEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccs3)C2=O)c(C)c1 1873324567 WJXBXVGHYGBNPB-UHFFFAOYSA-N 427.529 4.937 30 10 IJEE CC[C@H](C)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425144 VYDVUPJWLMLKPJ-KRWDZBQOSA-N 438.531 4.956 30 10 IJEE COc1ccc2ccccc2c1/C=N/Nc1cnn(-c2ccccc2)c(=O)c1Br 1873526218 SUJGXKFEUGMZPU-ZMOGYAJESA-N 449.308 4.603 30 10 IJEE CCN(CC)c1ccc(N2CC(=O)C(c3nc4c(s3)CCc3ccccc3-4)=C2N)c(C)c1 1873527788 QRBLTRRSFOWBCD-UHFFFAOYSA-N 444.604 4.780 30 10 IJEE CCCOc1cccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC)c1 1874295105 JVQNXBCBZMIXIK-PXLXIMEGSA-N 425.514 4.560 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc2ccccc12 1874332993 DIDGFTVHLOIBFS-HMHIXTCJSA-N 433.581 4.706 30 10 IJEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)c(OC)c1 1874467001 NJQOZSINACVLAF-LFVJCYFKSA-N 434.521 4.772 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c[nH]c3ccccc23)c1 1874511955 TXQDSLLXOYTARP-DHRITJCHSA-N 432.553 4.804 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(NC(C)=O)cc2)CSc2nnc(C)n21 1874820893 IWKTYJVFMVTIRL-FQEVSTJZSA-N 429.590 4.607 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875094407 QKJFLPWQXPVBMX-MDZDMXLPSA-N 428.397 4.503 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Br)c1OC(C)=O 1875143978 AGVHQQDKWHXVGM-BQYQJAHWSA-N 433.298 4.986 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c(OC)c1OC 1875193988 BQTMFOILAHMSJW-QPJJXVBHSA-N 444.789 4.730 30 10 IJEE Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4cccc(C#N)c4)CC3)cccc2c1=O 1891853175 GZQVIGVYHJFUKL-UHFFFAOYSA-N 449.510 4.603 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3ccc(Oc4ccccn4)cc3)n[nH]2)c1C 1892251841 FQJPJCDKIZHKIP-UHFFFAOYSA-N 442.523 4.583 30 10 IJEE C=CC[C@@H](C)OC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 1899331685 GRADDGHIJMTRQN-LLVKDONJSA-N 431.270 4.760 30 10 IJEE C[C@H]1CN(c2cc(Br)cc(F)c2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2054429738 YLEDFGDTXZMVBJ-GASCZTMLSA-N 446.320 4.696 30 10 IJEE C#CC[C@H](C)C[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076098985 MVMPLZKZQQHYMS-LADGPHEKSA-N 441.660 4.964 30 10 IJEE CC(C)(C)c1nn(-c2cc(C(F)(F)F)cc(F)n2)c(C(F)(F)F)c1C(=O)NC1CC1 2078843033 JLSMFAYOZRRUQL-UHFFFAOYSA-N 438.347 4.634 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079046550 BNFJOBGEFLRWJZ-OAHLLOKOSA-N 427.236 4.995 30 10 IJEE Cc1cc(C#N)c(Nc2ccc(I)cc2Br)nc1C 2099243132 SXFFWEWIUACXJA-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNc1cc(Br)cc(F)c1C#N)CC(F)(F)F 2117334670 GAGNJPMEYKPREY-SNVBAGLBSA-N 440.235 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181045751 NPOMFCKVOQFPBN-OXQOHEQNSA-N 436.350 4.733 30 10 IJEE CC1(C)C[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)N(C(=O)OC(C)(C)C)C1 2181108622 VBJUFTJSHSJOSI-OAHLLOKOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)C1(C)C 2186214364 OUULJJCKJIKWMJ-XJKSGUPXSA-N 436.350 4.589 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2218408637 NTEMEMCCNKQESL-QHCPKHFHSA-N 441.660 4.964 30 10 IJEE Cc1ccc(I)c(C(=O)C#Cc2ccccc2Br)c1 2232217142 DBRDHRCBIFKISW-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 2235733087 TWQXVUBCLDVSEE-PMACEKPBSA-N 435.406 4.862 30 10 IJEE C#CC[C@H](C[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237379309 CDEYUJBKTKZNFH-HOJAQTOUSA-N 436.390 4.685 30 10 IJEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)C1CCCC1 2267490675 RMZVUTSETHSWHX-UHFFFAOYSA-N 435.373 4.579 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(F)ccc1NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2268524394 KOKLFXNKQLITDC-UHFFFAOYSA-N 448.344 4.661 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2289533867 RFGKRDVXQAHXQQ-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE C=C(C1(OCCC(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1)[Si](C)(C)C 2290982460 OXLMLTLTBZBSCQ-UHFFFAOYSA-N 433.621 4.909 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 2296115716 HJKONSBHYDJXIJ-LJQANCHMSA-N 434.319 4.760 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296217740 XSKVTAQYZIQAJB-RBUKOAKNSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@H](O)C#Cc1cccc(Br)c1 2296218584 FVYYEKAMRFIMOI-RTBURBONSA-N 434.374 4.731 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2296219064 KOIRFNLZIPZKJQ-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2296219867 SDXFTVPFBCNSPL-VQTJNVASSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296279148 LUHZUMKSMPYEDW-WGQQHEPDSA-N 434.374 4.635 30 10 IJEE C=CCOc1ccc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1OC 2297315846 TWLUYLVVDQCQEG-UHFFFAOYSA-N 437.517 4.804 30 10 IJEE Cc1cccc(N=C2SC(=C3C(=O)Nc4ccc(F)cc43)C(=O)N2C2CCCCC2)n1 2314540352 OIYAYKTXFXMJAC-UHFFFAOYSA-N 436.512 4.788 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2321061696 VPTJADTXBPKWBG-UHFFFAOYSA-N 432.908 4.579 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2[C@@H]2CCCO2)c1OCc1ccccc1Cl 2321935055 ZUKXUMFOLAJKCE-SFHVURJKSA-N 444.944 4.542 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccccc2)c1 2323260366 ZDDLECSEMWXDCR-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2C1=O 2325301801 VPFIFVIWLCNHMU-INIZCTEOSA-N 440.455 4.589 30 10 IJEE O=C(C=Cc1ccccc1Br)C(=O)Nc1ccc(Br)cc1F 2325604798 LTZAGLMBKRASJQ-UHFFFAOYSA-N 427.067 4.572 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2328813999 ORMXOJMPXNZUMJ-UHFFFAOYSA-N 439.302 4.677 30 10 IJEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)cc2O)c1 2330180881 JHXQBOHTHHOHAO-UHFFFAOYSA-N 444.560 4.957 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)c1 2330785945 YIISAUNYIXFEQJ-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccnc2)cc1 2331039577 TVSUBLCYTAFMTF-UHFFFAOYSA-N 434.569 4.506 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331532506 NQCARGWKVWIXJL-UHFFFAOYSA-N 425.368 4.841 30 10 IJEE C=CCSc1nnc(COC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331591768 GHVWNYHXBRLCIN-UHFFFAOYSA-N 428.945 4.817 30 10 IJEE COC1(CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)CCC1 2349826768 AHFDZADPMXPXMS-UHFFFAOYSA-N 427.213 4.551 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CN(c3cc(Br)cc(F)c3C#N)C[C@@H]2C1 2358256603 NYSKSZMTAMMKPA-IPYPFGDCSA-N 438.341 4.589 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@@H](O)C#Cc3ccccc3Br)(C2)C1 2358671842 OEJSFXTXUPMZDO-GTCCEBARSA-N 434.374 4.589 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(F)c(Br)c(F)c2)OC1(C)C 2364880156 ZKFHYDIDAVNPFI-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1 2365063219 WLAWVKNBOCONQI-URXFXBBRSA-N 447.432 4.718 30 10 IJEE C=C([C@]1(OCCC(=O)O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1)[Si](C)(C)C 2370745048 SKJMEWCVAVBHRB-REWPJTCUSA-N 433.621 4.717 30 10 IJEE C[C@H](CCC(F)F)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377424420 ISYPGGYPQGRSGN-CYBMUJFWSA-N 432.158 4.614 30 10 IJEE O=C(Nc1ccc(Cl)cc1)[C@@H]1c2cccc[n+]2CC(=O)N1c1ccc(Cl)c(Cl)c1 13367030 GTISJZQNCLIVMN-FQEVSTJZSA-O 447.729 4.661 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OCC)c2)cc1 34918801 KGENHGMSAATXCH-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c(C)c(C#N)c2=O)cc1 38624400 ZJBHBHFJGAFQCV-IBGZPJMESA-N 444.531 4.864 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 66227343 LOPHVWJSPKFOHN-LJQANCHMSA-N 429.520 4.793 30 10 IJEE COc1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c(OC)c1 100130446 BJDMESQGFGJPAN-OAQYLSRUSA-N 428.525 4.563 30 10 IJEE CCN1C(=S)N[C@H](c2cc(Br)ccc2O)C(C(=O)c2ccccc2)=C1C 169931639 JHUNJJNGJZIVAX-GOSISDBHSA-N 431.355 4.563 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccs1)c1ccc(F)cc1 169989508 XHUWGNPMSHVKFZ-FQEVSTJZSA-N 425.456 4.847 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccn2)c1 169990641 DWQBKWUHJOIKIQ-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 170011665 WMJVHJUSBDRFGO-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2O)c1 170141465 UNNGOBZETOBTJB-FYSMJZIKSA-N 441.483 4.807 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cccc(OC(C)C)c1 170153709 DOPKSMQFOSHPSL-NRFANRHFSA-N 427.472 4.610 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@@H]3c3cccs3)ccc2O1 170161258 IGXJXHNUCAWMEY-JLCFBVMHSA-N 442.496 4.726 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)c1 170162718 YZLOVQFMQJYVTB-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)cc1C 170172153 QSJGNGVXCPPDAS-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)cc1C 170189376 ZPAAQWNHBFOESE-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)c1 170203632 YEBXSQPTUGECFU-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OCC)c(OC)c1 170216389 YCROYRNPLPMUJG-DEOSSOPVSA-N 449.547 4.961 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccccc3)ccc2O1 170222873 YJDHWLHTXKFZFR-NPMXOYFQSA-N 429.447 4.932 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2C)ccc1Cl 170270398 FMUCJZPZOXXGGJ-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)cc1 170274459 GVEMNFUQPXUAIR-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(OC)c(O)c1 170321970 WSSFQGWNDZNZBI-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3oc4ccccc4c3C)nc12 170581017 OMLCXWXVIHLSBE-UHFFFAOYSA-N 437.459 4.916 30 10 IJEE CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 252630469 VAHIENXBWLQNBN-UHFFFAOYSA-N 441.940 4.603 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 409894958 HUEKHFKRINZBDS-QGCDCVKKSA-N 436.508 4.635 30 10 IJEE N#CC1CCC(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 442125691 MGUHUOXNCYGAKG-BUNACBEFSA-N 426.904 4.848 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1 491761411 YUZAMWJMACNGNK-QFIPXVFZSA-N 438.616 4.621 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccc(Br)o1 508922564 QWQZDKGKFFIMTN-HKUYNNGSSA-N 443.345 4.701 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 513552402 WQJXJMAUWAMDLL-UHFFFAOYSA-N 441.531 4.517 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 515418744 AHTCDDVPHDTHNB-UHFFFAOYSA-N 430.530 4.856 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(-c2cccc(OC)c2OC)n1 533248620 WJQFTNFHJZRWDP-UHFFFAOYSA-N 425.510 4.924 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 549263715 LAVZIXBPAMQWNE-SFHVURJKSA-N 441.576 4.992 30 10 IJEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H](Cc2csc3ccccc23)C1 549638440 KEIRKZSDUZPVGD-WIYYLYMNSA-N 438.597 4.616 30 10 IJEE CC1(C#N)CCN(c2nnc(Cc3ccc4ccccc4c3)n2C[C@H]2CCCCO2)CC1 580777927 NGEDKRNTZIWBHH-HSZRJFAPSA-N 429.568 4.721 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698460227 YOXAZMLXUXCXMT-CYBMUJFWSA-N 440.338 4.607 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 698960565 GWRSQHQSBCXSDA-HRAATJIYSA-N 436.557 4.996 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 724090158 CGWAXDHSZQLJCW-IERDGZPVSA-N 436.557 4.901 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)n1 730829333 CNTPWJYWPXSKTQ-MOPGFXCFSA-N 447.589 4.696 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCOc2ccc(Br)cc21 733335355 USEJJGATYFHCTR-ORAYPTAESA-N 449.295 4.957 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@]3(C)CCCN3C(=O)c3ccccc3)n2)cc1 735205704 GDVOTXNZROTAPL-NLFFAJNJSA-N 429.545 4.990 30 10 IJEE Cc1sc2nc(CS[C@@H](C)C(=O)OCC#Cc3ccccc3Cl)nc(O)c2c1C 746952878 FAFBPPSNSJZTHB-AWEZNQCLSA-N 446.981 4.884 30 10 IJEE CCc1noc(COc2ccc(OC(=O)c3cn(CCCC#N)c4ccccc34)cc2)n1 774112860 UOJFVUJJOKOFDP-UHFFFAOYSA-N 430.464 4.689 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(Cl)cc1Cl 787051296 HRCDGEXJJQAEDM-LIQONPQNSA-N 437.273 4.961 30 10 IJEE CC/C(=N\OCC(=O)OC1CCC(C(C)(C)C)CC1)c1ccc2c(c1)CCN2C(C)=O 821223970 VVIYILSMISEOST-XTCLZLMSSA-N 428.573 4.874 30 10 IJEE Cn1c(=NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)sc2ccccc21 1084522531 FUISGGAJXCZETH-UHFFFAOYSA-N 432.936 4.745 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(F)cc3Br)cn2)cc1 1125139193 AQJLBNMGIBWOHX-UHFFFAOYSA-N 426.245 4.828 30 10 IJEE Cc1csc([C@@H](NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C(F)(F)F)n1 1129338037 HGDKWTXGQDCJHR-SNVBAGLBSA-N 432.317 4.688 30 10 IJEE C=CC[C@@H](C)NC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 1136802271 QPIFKJPFISMWTB-MRXNPFEDSA-N 447.560 4.876 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 1136813546 HEGWQHKEQUMRQR-APWZRJJASA-N 441.597 4.911 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@H]1Oc1ccccc1 1138691127 BJDZLXRDEMSOMI-FTBPSBKWSA-N 428.488 4.705 30 10 IJEE C=C[C@H]1CCCCN1C(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 1156299571 CADDVKMPAFNZKR-FQEVSTJZSA-N 448.592 4.814 30 10 IJEE C=C[C@H](C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1)c1ccccc1 1159237160 DDLZXCWXIHWLNV-IBGZPJMESA-N 432.333 4.766 30 10 IJEE C=CCn1c(S[C@@H](C)c2nc(C)cc(O)n2)nc2sc(-c3ccccc3)cc2c1=O 1165434965 WTLOUBSPHLKNQF-AWEZNQCLSA-N 436.562 4.968 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nc2sc(C)c(C)c2c1=O 1188225922 MNBHFDVNHWHXJD-MRXNPFEDSA-N 448.997 4.791 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@]2(C)CCCc3ccccc32)cc1 1192499561 CQOSOJIYGMWOHT-MHZLTWQESA-N 442.563 4.754 30 10 IJEE Cc1ccc(Oc2ccccc2)c(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1201606545 HMBDKIVEWVDGTP-PXNSSMCTSA-N 436.512 4.668 30 10 IJEE C#C[C@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1ccc(Br)cc1 1230499436 WHPUQXMMGMNNMH-NRFANRHFSA-N 445.332 4.653 30 10 IJEE C=CC[C@@H]1N(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CCCC1(C)C 1255412913 JAIOJNZKUZIPOF-IRXDYDNUSA-N 429.552 4.655 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(C)cc2OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1266101733 PTLYOHKNPBNIIP-RUZDIDTESA-N 428.573 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCC(C)CC1 1286277945 JIXGQPMZPVQPLA-GIIQAUJJSA-N 428.552 4.610 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(CCC#N)CC1CC1 1286315712 BVDNWLGSXCBBJA-UHFFFAOYSA-N 432.391 4.703 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br 1286322147 AMFNTCJGSHIYHS-IBGZPJMESA-N 431.378 4.722 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(Cc2cccs2)CC1 1286363181 KHMFBIARNFKIQM-XMMPIXPASA-N 447.652 4.863 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](OC)c1ccc(F)cc1 1286365650 FCFFSEUWQUNSBI-HXUWFJFHSA-N 438.572 4.872 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286424825 MQMIGFOJYPDXRQ-QNWVGRARSA-N 446.595 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccoc1 1286548504 BJTSEOJBTKCCHJ-UTKZUKDTSA-N 442.947 4.818 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(C)C)C1 1286603187 OJZLKKOMUHDWRZ-FQEVSTJZSA-N 444.645 4.729 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1286633229 VOXWMILDCKNKPQ-FQEVSTJZSA-N 434.053 4.775 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N(C)C)CC1 1286664200 SBRYPYYHERLTIG-LJQANCHMSA-N 425.621 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1286668530 RTQIKGVTLOTQGN-UHFFFAOYSA-N 441.929 4.885 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1286718578 OPKWJIFAGMPNEI-HTAPYJJXSA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286743416 GXKSKWMPLFSYFI-NRFANRHFSA-N 437.588 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1([S@](C)=O)CCC1 1286752725 FZIIQBBNUHSDCV-PMERELPUSA-N 444.670 4.755 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1286829950 NAZJCHDWPKFNKZ-RTWAWAEBSA-N 426.630 4.816 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1288530730 HHSFDRBUKATGBC-GOSISDBHSA-N 445.011 4.513 30 10 IJEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1 1293807524 AAKMXUYQIKGMIM-OAQYLSRUSA-N 435.494 4.537 30 10 IJEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1300372777 KZRJZJQMOKQOAJ-OAQYLSRUSA-N 444.526 4.541 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC2CCCCC2)CC1 1300386695 TZINPEOWBDJSBA-UHFFFAOYSA-N 426.008 4.714 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(C)C)C1 1300422251 ITSZCZIDGMJJOU-KRWDZBQOSA-N 431.378 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H](C)N1CCCCC1 1300605923 CFWNOROQPLPZQO-VQTJNVASSA-N 439.673 4.855 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](OCc2ccccc2)C1 1301160164 NNPXRXFOXYJQEV-HSZRJFAPSA-N 448.615 4.538 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1c1cnn(C)c1 1301208304 RJFYHNSIJZROIR-HNNXBMFYSA-N 447.406 4.810 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2Cl)nc2sc3c(c2c1=O)CCC3 1307259429 WZXPDBTYAWPFOX-UHFFFAOYSA-N 446.981 4.865 30 10 IJEE C[C@H](Sc1nccc(-c2ccc(Br)cc2)n1)C(=O)Nc1cccc(C#N)c1 1307368214 IEVHAEBPROMMCL-ZDUSSCGKSA-N 439.338 4.897 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN[C@H](c3cccs3)C3(CO)CCC3)c2C#N)C1 1307843758 HKUNXJLSPHJFFS-QVKFZJNVSA-N 443.638 4.628 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)CC1 1311892744 YHAMDLNCKMNSSW-AREMUKBSSA-N 435.612 4.936 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)c1ccccc1 1312333996 GEAPKPVEJYQITK-URXFXBBRSA-N 437.559 4.961 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)Cc2ccc(F)cc2)c(C(=O)OCC)c1C 1352311914 NFVNOJSKNHAOKQ-CYBMUJFWSA-N 433.501 4.532 30 10 IJEE C=CCN(C(=O)c1cc(Br)cc(I)c1)c1ccccc1 1353746136 IQQHTTMGNZOGSN-UHFFFAOYSA-N 442.094 4.887 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)c1ccc(C)c(C)c1 1355774490 VWSUOJCROAQGDQ-HSZRJFAPSA-N 434.580 4.906 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3COc4ccc(Br)cc43)cc2)nc1 1356209145 BHYYJOOWRFHLEB-SFHVURJKSA-N 436.265 4.623 30 10 IJEE CC1(C(=O)NCc2cccc(Br)c2)CCN(c2ccc(Cl)cc2C#N)CC1 1357303206 ADNZDNSWUFBXFH-UHFFFAOYSA-N 446.776 4.897 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCCN1CCCC1 1358877843 LPRNSHQHIPWEDU-HXUWFJFHSA-N 439.673 5.000 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC1CCOCC1 1358906446 IDXBPIAIRAPNDK-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1[C@H]1CCCO1 1358934920 QRQHJDRCNDMLGP-AZUAARDMSA-N 449.382 4.725 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCCO1 1358986916 LNHZATSAGAZWIL-QGZVFWFLSA-N 438.984 4.845 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN1CCCCC1 1359015938 KCZXGRXLIZWFQM-HXUWFJFHSA-N 449.574 4.747 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H]1CCCN(CC(C)C)C1 1359016522 FEYFKSCUOYMYFD-HSZRJFAPSA-N 439.623 4.624 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359055072 ROPPFSHAERNMGN-UHFFFAOYSA-N 445.514 4.670 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC2(CCC(F)(F)CC2)C1 1359058727 NVOVLROJHSSBER-UHFFFAOYSA-N 444.595 4.950 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(OC)C1 1359128015 HODTZOSUZVGFGG-DEOSSOPVSA-N 444.645 4.874 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC(C)(C)C1 1359157146 AEVUDMSPIYDHIP-RDJZCZTQSA-N 438.016 4.975 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCCC[C@H]2CC)CC1 1359169072 SRUWLXSTXWXJSQ-HSZRJFAPSA-N 437.632 4.840 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1359173350 DCZTVYOQHHVIFZ-NMEJYPJZSA-N 448.608 4.507 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1359177121 AYIBXPVGYKAWEA-SFTDATJTSA-N 436.648 4.809 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1CC 1359223776 WEGPDTMXGRARJR-MRXNPFEDSA-N 449.393 4.688 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCC1(F)F 1359275473 VEDYMVRLRJGDOC-LEWJYISDSA-N 430.543 4.843 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2C[C@H](F)C2)C1 1359314103 WCEIDIVKAIZRIO-ZJSJBZJDSA-N 448.970 4.991 30 10 IJEE COc1ccc(C(=O)N2CCC[C@@H](C(=O)O[C@@H](C)c3ccc(C#N)cc3)C2)c2ccccc12 1435360362 AHVNJMICJYHLIC-GHTZIAJQSA-N 442.515 4.877 30 10 IJEE C=CCN(CCc1ccco1)C(=O)CCCCc1ccc(I)cc1 1435705620 FMOPYNSNPXQRDB-UHFFFAOYSA-N 437.321 4.854 30 10 IJEE N#CCc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1 1436285751 AMXJJEWJCKAUMX-UHFFFAOYSA-N 443.507 4.870 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c(Cl)c1 1439800605 CWYCOWSPYJDYHP-UHFFFAOYSA-N 428.875 4.991 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 1442753005 JWNXJHOTTTWCNO-UHFFFAOYSA-N 434.580 4.893 30 10 IJEE C=CCn1c(SCCN2CCOCC2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1458752412 KWZLNOJCTLVYCC-SFHVURJKSA-N 446.686 4.768 30 10 IJEE Cn1cc(CNC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c(-c2ccc(C#N)cc2)n1 1458853887 HYLSFNWXCLQXQG-UHFFFAOYSA-N 444.441 4.959 30 10 IJEE C=CCOc1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1 1459931602 SDZJRYGUKQSIFB-UHFFFAOYSA-N 426.310 4.862 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 1460595192 IQFDVNZRSQISCR-UHFFFAOYSA-N 440.477 4.578 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 1464396545 BXMHWJULLSOKMX-NRFANRHFSA-N 443.588 4.747 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](CC)Oc2cccc(Cl)c2)cc1C#N 1465970026 FACHSIOIQAKAHC-QGZVFWFLSA-N 430.892 4.759 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Br)cc1 1466390094 SBCYREAXFZXHDH-GOSISDBHSA-N 437.297 4.873 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1)c1ccc(Br)cc1 1468849464 RZOYJSPYEWRERZ-PMACEKPBSA-N 444.348 4.539 30 10 IJEE C=C[C@H]1CCCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1470764901 VMYLEYOJAZDLOQ-BVSLBCMMSA-N 443.588 4.538 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CCCC1(C)C 1476542108 YAGOJCYZMXVQMT-HXUWFJFHSA-N 442.585 4.622 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCCC[C@H]3CCCN3C(=O)OC(C)(C)C)cc21 1477135051 RXOPZVSCIDFMOY-IBGZPJMESA-N 427.549 4.524 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1478272065 HTQADNMHRNBUDU-PMPSAXMXSA-N 426.401 4.960 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 1478806083 JHQWTLMMFFXONY-LNRXMEIDSA-N 427.589 4.509 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1507554303 OPIZQWQJPKPRTB-GOSISDBHSA-N 442.007 4.537 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1Cc1cccs1 1507597053 SKOXNMLHRIOVAV-CEWLAPEOSA-N 426.630 4.883 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cscc1C 1507654204 AEJZOHYLGRFKKC-UHFFFAOYSA-N 432.593 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCO1 1507765301 RHSYBPUXROOXAG-KPDCDPCYSA-N 428.964 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCc2sccc2C1 1507818800 XHJAADFEEPBRNB-UHFFFAOYSA-N 443.020 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1507922850 HYQFBWXFWOGGKO-MOPGFXCFSA-N 431.650 4.876 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1507928145 AYISYVFEMXZBQK-QGZVFWFLSA-N 429.634 4.917 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1507943675 KPYFHLSZTPDYMY-PKTZIBPZSA-N 434.588 4.581 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1OCC(C)C 1507970599 LEFIUJYJEADTTH-UHFFFAOYSA-N 444.377 4.741 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1CCOCC1)C1CC1 1507987900 FOOCWPVGGMQYMW-UHFFFAOYSA-N 437.632 4.508 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1508013191 LVZXRDULNXTSGL-FDDCHVKYSA-N 428.964 4.505 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CSCCS1 1508017652 FRTFIIPLTSBGFP-GOSISDBHSA-N 439.610 4.627 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1508018006 ZEKWCLAAIRGJDZ-JOCHJYFZSA-N 449.599 4.528 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1ccc(F)cc1 1508033572 NUUYVQLSQMKGDO-CTNGQTDRSA-N 438.547 4.943 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc(-n2cccn2)cc1 1508035041 ZYFASVKEIRIXNQ-UHFFFAOYSA-N 444.583 4.929 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1Br 1508577088 IDTFCOJCWJCDDA-NRFANRHFSA-N 430.394 4.808 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1516426602 HLJZQUUGFVQENQ-QGZVFWFLSA-N 441.645 4.934 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccsc1 1521148653 CSJQWXMQHIKWIR-UHFFFAOYSA-N 429.496 4.786 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cccc4cnccc34)C[C@H]2C)cc1OC 1525016148 PBVXOYAZZDYNIV-YBNHLDJLSA-N 443.547 4.559 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)c1ccc(Cl)cc1 1525039495 XQOAMLQMJRQODG-QGZVFWFLSA-N 428.717 4.701 30 10 IJEE Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cc2OCC#N)c1 1525767122 BQIMYNVJLSOFEV-BJKOFHAPSA-N 443.522 4.891 30 10 IJEE C=CCN(C(=O)C1(Cc2ccccc2Cl)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1529015321 VPKDIIJITIUPBO-JOCHJYFZSA-N 425.956 4.852 30 10 IJEE C#CCCOc1ccc(C(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cc1 1538576517 XQIRPIQTLLRYAD-UHFFFAOYSA-N 440.543 4.680 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCc1nc(C(F)(F)F)cs1 1538972711 JTDBXEMAGQLXMD-LBPRGKRZSA-N 439.894 4.774 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1539103543 WVYDSEHVZNHFTO-ICSRJNTNSA-N 442.007 4.533 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(OCC)CCCC1 1539296058 JZDJUNNUEPLHAQ-HSZRJFAPSA-N 448.611 4.847 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1539499121 DTNHBMSDIYSNOO-WOJBJXKFSA-N 439.673 4.528 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCC(F)(F)F 1539621554 AOTNAVIEIZPLRX-XLIONFOSSA-N 445.489 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1539910481 XDTQOWDIHDHPPZ-JOCHJYFZSA-N 435.616 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1539912491 LRAWSIXDMZBNBU-HSZRJFAPSA-N 430.600 4.653 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1539954806 FFAIBTBCBFXXRU-IBGZPJMESA-N 433.478 4.721 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCO[C@@H]1C(C)C 1540195747 GPRWOORDYXRBLP-GHTZIAJQSA-N 432.996 4.689 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n[nH]2)c1C 1540651323 OYBXNTBDPZYLLF-UHFFFAOYSA-N 439.563 4.961 30 10 IJEE C=CC[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccccc1 1540688225 QMXIYUSSBDPUNA-RVPSJEOCSA-N 440.952 4.852 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 1540878099 OBNSWBMPVMMSCT-LVCYWYKZSA-N 446.542 4.860 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)C1 1540920518 XZYAKOAPRQIDMD-UHFFFAOYSA-N 449.354 4.929 30 10 IJEE CCCN(CCC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1547140091 CYWMEPCHPITFHW-WOJBJXKFSA-N 440.661 4.659 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)CCOCC1 1555860379 HGKHKKKIUMCVGW-QGZVFWFLSA-N 437.569 4.519 30 10 IJEE C#C[C@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1557240235 RYAMURJPYHIPTC-SFHVURJKSA-N 448.364 4.716 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)N2CCOc3ccc(Br)cc32)c1 1557453201 AFFMQLQHPBCQQK-UHFFFAOYSA-N 439.265 4.532 30 10 IJEE C=CCN1CC[C@H](Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)C1=O 1559306799 IXJHRYDPWSBIMX-IBGZPJMESA-N 431.483 4.982 30 10 IJEE C=CCn1c(SCCCc2c(F)cccc2F)nnc1[C@@H]1COc2ccccc2O1 1559332999 BIUGVGDEULKKCL-FQEVSTJZSA-N 429.492 4.980 30 10 IJEE CCCN(Cc1ccccc1Br)S(=O)(=O)c1cccc(Cl)c1C#N 1561178553 FLYJVYYZHHDWSC-UHFFFAOYSA-N 427.751 4.575 30 10 IJEE CC(C)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(Cl)cc1F 1561458091 CISJHOPKYIYGSC-KRWDZBQOSA-N 445.741 4.789 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 1562370833 QKCWXVZCOCXYLF-LJQANCHMSA-N 428.330 4.570 30 10 IJEE COc1ccc2c(c1)nc(CNC(=O)Nc1ccc(Sc3ccccc3C#N)cc1)n2C 1562811820 BHZHOONJWVATBP-UHFFFAOYSA-N 443.532 4.926 30 10 IJEE C#C[C@H](NC(=O)CSc1ncnc2sc(C)c(C)c12)c1ccc(Br)cc1 1569673918 PYCFTHWWJPGXMV-HNNXBMFYSA-N 446.395 4.653 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnc(Cl)c2F)nnc1-c1ccc(Cl)cc1 1583591931 HFFRBAGRLHMRMY-UHFFFAOYSA-N 438.315 4.703 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)c1ccc(Cl)cc1 1584691002 ZDQSOFFNMMYBAI-GOSISDBHSA-N 445.375 4.855 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3nn(-c4ccc(Cl)cc4)cc3O)cc2)c1 1584728723 BRVFWIJMXIOYRU-UHFFFAOYSA-N 444.878 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCc2ccccc21 1587574415 HDZLWXWHWGVREW-RDJZCZTQSA-N 438.373 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCO[C@H](C)C1 1588204994 ALICAAZJRUNNBE-DHIUTWEWSA-N 448.611 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC2(CCCCC2)O1 1588238330 QYTSVGPFYXLJPC-DEOSSOPVSA-N 430.596 4.522 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(OC(F)F)c(F)c2)c1 1588257079 BLOIWDSDEZQTOP-UHFFFAOYSA-N 426.394 4.808 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1589357531 BYCGVGUUILBHAF-CQSZACIVSA-N 429.284 4.941 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC2(CCCCC2)C1 1589701096 MLXIDPVKQCMXAL-UHFFFAOYSA-N 439.629 4.979 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1593721685 BSYDIBZHKOFYMX-UHFFFAOYSA-N 446.542 4.952 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1594024070 RLPJIIFPWIFTKN-MJGOQNOKSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[C@@H](OCC)C(C)C)CC1 1594241333 NAWKBAFPCCUYOO-OFNKIYASSA-N 440.588 4.644 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)c1ccccc1 1594533714 FQUXMKASGOYHNK-UNMCSNQZSA-N 434.588 4.912 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1594608080 DXHQJADSQLPJPF-UHFFFAOYSA-N 438.963 4.733 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@H]21 1594616511 QNKJXJXYVMWZLB-ZCNNSNEGSA-N 429.609 4.738 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1594767257 QGQAENJKDQVVQG-IEBWSBKVSA-N 432.037 4.863 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(OCC)CCCC1 1594913195 FFMNZPDSRFTLLY-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CCC)CCC1 1594955865 FGZSTAJZBPHNFZ-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)COC)C1CC1 1595034168 XMLWAZPZFYDUNQ-ZDUSSCGKSA-N 439.785 4.798 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1595037676 JQIGIBFNPBGJQQ-SBUREZEXSA-N 429.012 4.659 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1C 1595085599 YKPGCACMWLVPHE-AUSIDOKSSA-N 448.615 4.777 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC1(O)CCCCCC1 1595133371 FKFFTSNPGPPBQC-UHFFFAOYSA-N 449.574 4.681 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(CC)CC2)C1 1595689875 XWJASIUXAVKEMF-SFHVURJKSA-N 445.405 4.988 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cccc(Br)c1I 1596319564 KYDPZAIJMKQHBA-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(CN3CCCCCC3)cc2)cc1Br 1598337270 BNLALRCQOHOZMD-UHFFFAOYSA-N 442.357 4.714 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1(c2ccc(Br)cc2)CC1 1615600025 CSNJEWLZSJCEGD-SFHVURJKSA-N 440.385 4.748 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCOCC3)c(C)c2)cc1OC 1620875136 SQWXTCKDAHZIAZ-UHFFFAOYSA-N 447.373 4.780 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ncccc3OCc3cccc(Cl)c3)CC2)cc1 1623948092 DOBIMANCYATIMB-UHFFFAOYSA-N 447.926 4.540 30 10 IJEE C#C[C@@](C)(CC)NC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1624420798 RQLRQRNSAXSWNW-MHZLTWQESA-N 430.548 4.566 30 10 IJEE Cc1cc(NC(=O)N2CCN(c3ccsc3C#N)CC2)ccc1NC(=O)OC(C)(C)C 1626463166 DFKNRJAPKBQVLP-UHFFFAOYSA-N 441.557 4.629 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)C1 1628821246 YFWOVODAKCDSLE-YJBOKZPZSA-N 437.378 4.830 30 10 IJEE C#C[C@H](C)N(C)C(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1635422864 GMHIVYFSWRTESY-SBUREZEXSA-N 436.939 4.516 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 1636489566 XVPHCYJYZOPTDE-OAQYLSRUSA-N 436.556 4.790 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1 1636558112 UPQCWFXEADBQGO-ZJOUEHCJSA-N 445.991 4.693 30 10 IJEE C#C[C@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)c1ccc(Cl)cc1F 1636566475 ACNKNCRTCKGENU-QHCPKHFHSA-N 427.951 4.504 30 10 IJEE C#C[C@H](CO)Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCCC3 1639964552 RCPODIWZKHJJBP-CQSZACIVSA-N 429.998 4.922 30 10 IJEE C=CCONC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CCC2 1640821331 NINWYFIXWRNONH-SDXDJHTJSA-N 430.504 4.976 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H]2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CCCC3 1643476510 LXYQYINRKKIVSO-RDJZCZTQSA-N 445.654 4.652 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCCc1ccc2c(c1)OC(F)(F)O2 1643753099 ITTPQBITKQUALC-UHFFFAOYSA-N 431.464 4.699 30 10 IJEE C#CCN(CC(=O)Nc1cccc(CSc2ccccn2)c1)[C@H]1CCc2ccccc21 1644411057 UGEOHGDIOCDWHR-DEOSSOPVSA-N 427.573 4.935 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1651185457 ZAHPKVSIFXZRJG-UHFFFAOYSA-N 430.354 4.732 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCN(C(=O)CCc3ccccc3)CC2)cc1OC 1651967921 XFOOBKDIEXELAX-UHFFFAOYSA-N 442.987 4.581 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CC[C@@H](c4c(F)cccc4F)C3)c2C#N)C1 1655547956 DIRMQZFGEKKQKA-HUUCEWRRSA-N 429.536 4.841 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)n(-c2ccccc2)c1C 1655719640 FSZZIJYSECWCFO-JDITYXQVSA-N 442.563 4.755 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccc3c(c2)CCO3)cc1OCC 1657162966 BJRFYJAFESIDQI-UHFFFAOYSA-N 432.358 4.680 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2cc(OC(F)(F)F)ccc2Br)CC1 1664977301 AMOIEDPYBREBBV-UHFFFAOYSA-N 436.272 4.510 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 1666945096 SUFDNCJVJRTBSW-KXBFYZLASA-N 433.430 4.670 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)cc1F 1667513971 CAUNYIXYQSKZDZ-KRWDZBQOSA-N 448.429 4.556 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Cl)cc3)C2)c1 1668760464 KSBYYTLKUBTVGB-LEWJYISDSA-N 428.916 4.715 30 10 IJEE C=CCCC1(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCCC1 1669027700 CZJDTVFJEIAKSB-UHFFFAOYSA-N 434.587 4.592 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1669725326 MSQRJFRHHKERSL-JOCHJYFZSA-N 428.598 4.780 30 10 IJEE CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(C#N)cc1 1674368201 ACLNQPXASZDKPU-UHFFFAOYSA-N 447.410 4.961 30 10 IJEE C=CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 1675091072 USYDQDJIAHBOLY-CQSZACIVSA-N 425.710 4.953 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3cccc(C(=O)OCc4ccccc4)c3)cc21 1675095453 DTXKANTUDRMTJH-UHFFFAOYSA-N 440.503 4.901 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F)c1ccccc1 1675610918 YNFMGWMFOZWMBR-LEWJYISDSA-N 445.485 4.986 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1)c1ccc(F)cc1 1678205700 ORTZLZDSOWDPRF-DHIUTWEWSA-N 432.495 4.800 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1679529311 WAKAVBOSJFHDSM-SFHVURJKSA-N 429.351 4.842 30 10 IJEE C#CCN(C(=O)NCC(CC)(CC)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1679554798 YLMAKTWWILGUKF-UHFFFAOYSA-N 441.616 4.789 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4cc(F)cc(Br)c4C3)cc21 1680806356 VWWZQUUXWKXZSO-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C#CCN(C(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682181586 UBPRSWRBMWQVGO-PMACEKPBSA-N 433.637 4.883 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C)s1 1690032897 LSSLHTIAKHVZLP-GOSISDBHSA-N 438.984 4.953 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)[C@H]1C 1690157667 MGMAKTYVIZUZIJ-HSALFYBXSA-N 444.670 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccccc1F 1690250630 JSPBKIASXOPFOC-YKSBVNFPSA-N 442.579 4.646 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCC1CCN(CC)CC1 1690571896 MQKLXYPJBHEYSV-HSZRJFAPSA-N 441.595 4.583 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@H]1C 1690576010 KKIWXSDNLNREKR-AEFFLSMTSA-N 444.004 4.920 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CCCC2)cc1 1690679395 SVCARQRPKSRREW-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2CC2CCC(F)(F)CC2)C1 1690710579 UHWGFPBYHXGYAM-OAQYLSRUSA-N 446.542 4.506 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1692271302 CFLJXVCQBSHJOO-GGAORHGYSA-N 434.632 4.810 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1695237003 GPHSZFLQDLMCKT-UNMCSNQZSA-N 445.615 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)c1nccs1 1705483829 CXBITEIZHRKHJF-CHWSQXEVSA-N 448.365 4.565 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705510046 NCCPQJACHBFBKX-DNQXCXABSA-N 430.600 4.970 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1705528685 OQTPAZZDOPYPBJ-ROUUACIJSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@H]1C 1705607746 PHDBDVKZJVUFAN-GOSISDBHSA-N 437.588 4.757 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1705624712 MHOFKGUQLRCGRV-HOTGVXAUSA-N 440.897 4.978 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(OC)cc1 1705699973 NOJYQDDCPUWYAS-URXFXBBRSA-N 447.583 4.665 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(F)(F)Br)CC1 1705762576 CSOCIDVMKMPAGV-ZDUSSCGKSA-N 445.283 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705802951 ZUSVWQDFUSDXQF-OKYOBFRVSA-N 429.609 4.640 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705823776 VCMJBCYJNCZFER-FQEVSTJZSA-N 436.629 4.648 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@H](O)C1 1705871179 AGKLJHGYVUKPNT-WBVHZDCISA-N 449.368 4.576 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](OC)c1ccc(F)cc1 1705879091 MIEHAODMIQLSCF-OAQYLSRUSA-N 426.536 4.931 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1705941304 GOTWGEKCXGZXRP-JOCHJYFZSA-N 426.630 4.822 30 10 IJEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1708339698 FCMNHMBUOHAVGW-IVZQSRNASA-N 433.959 4.665 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1c(CC)noc1C 1722303768 RETUBGIQFGOKNE-ZDUSSCGKSA-N 448.354 4.529 30 10 IJEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1Cc1c(C)sc(C)c1Br 1722389643 LFTCNOFELVLMAB-UHFFFAOYSA-N 433.419 4.528 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCC2)C[C@H]1CC 1722480608 RHZJJTMSYNTNGP-MRXNPFEDSA-N 446.349 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N1CCCCC1 1722511524 AYFGLYLBFGUHGH-UHFFFAOYSA-N 433.959 4.543 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1722515090 HXCCWFVJICIRHN-IRFCIJBXSA-N 447.624 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722586239 XOJDHAXKSFLYDJ-WMZOPIPTSA-N 443.592 4.798 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCC[C@H]1C)C1CC1 1722651988 YAVIGQAATOSDIV-IBVKSMDESA-N 438.616 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)N(C)C 1722661606 LCNHYVXLQQGYJK-GOSISDBHSA-N 432.597 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC=CO1 1722665373 AWKVGCMADMQFLW-INIZCTEOSA-N 433.325 4.718 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C 1722667796 XEAHNYHOQYAKCI-SFTDATJTSA-N 431.669 4.569 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCC(F)(F)F)C1 1724003229 BDBDZAJQNNCEQP-OAQYLSRUSA-N 443.477 4.808 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCO[C@H](C)C1 1729998009 GCSVULCWARSFSK-SAHWJRBASA-N 443.979 4.552 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H]1CCO[C@H](C)C1 1740540809 MPYLPZUTWNNKGX-KSZLIROESA-N 445.405 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(-c2ccsc2)nc1 1740560368 HOALFBPCAPHQHR-IBGZPJMESA-N 443.576 4.529 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740665398 ANDZGGIPRDTBDT-XYJFISCASA-N 443.389 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1Cc1sccc1C 1740734905 GTVBIARKTFLSOS-XMMPIXPASA-N 436.581 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCOC1 1740768707 BMGBEQXQWDWGGB-AWEZNQCLSA-N 439.785 4.800 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1740778150 KMEJYJXEZNGREM-ZDUSSCGKSA-N 430.325 4.875 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC=C(C(F)(F)F)CC1 1740804341 WTIRYYAUQCRMOW-UHFFFAOYSA-N 434.853 4.787 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1csc(C)c1 1740855078 CNMOILKRZFRYGM-UHFFFAOYSA-N 427.574 4.607 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2c(ccnc2O)C1 1740858235 LZRVVKUVBRJEBX-QGZVFWFLSA-N 437.519 4.577 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1740935502 NSSWZSVJWLTTAX-TZRRMPRUSA-N 436.600 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC=CO2)C1 1740975085 MAADEZLMUWMJPC-DLBZAZTESA-N 435.355 4.726 30 10 IJEE CCC(CC)[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1)OC 1743984698 GDZLCVIIWKQFBJ-NZQKXSOJSA-N 447.986 4.806 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OCCC)nc1 1748655472 YSFJLIMXAAARHW-HNNXBMFYSA-N 444.366 4.942 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1748744154 UFEUKXIZFZAQIH-UHFFFAOYSA-N 437.588 4.503 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCCO1 1748873439 OTFGGZUGEDJVDH-OAQYLSRUSA-N 448.567 4.845 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748937317 GRSIWBLXKDHTSD-WIYYLYMNSA-N 442.579 4.686 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCc1ncc(CC)s1 1749068781 NTHIGXFDSIKWRO-HSZRJFAPSA-N 440.016 4.776 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N 1749122577 YAAYPQMYUWHDLE-KPLVRAHFSA-N 439.629 4.853 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1749381646 GDSVBJUDXCGVGS-OAQYLSRUSA-N 439.604 4.819 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C)nc1 1749387252 WGTMDGZIQNKMCJ-QHCPKHFHSA-N 433.556 4.725 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC[C@H](C)C2)C1 1749719274 RMEFSJCQQCBKOF-XUVXKRRUSA-N 442.629 4.797 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)CN1CCCCC1 1760098719 WFDODEZIDBZNEU-RRPUWOKSSA-N 437.632 4.615 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1oc(CCC)nc1C 1760102001 XLUKUXKZMFPFKM-QGZVFWFLSA-N 428.540 4.557 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H](C)N1CCCCC1 1760126097 XZHHGWJBVSYBFA-MOPGFXCFSA-N 446.064 4.946 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](c1cccnc1)C(C)C 1760225540 SHNXABCJFQNHFC-XXBNENTESA-N 435.547 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1760296464 RPJDPKSRYXUNDM-JHMXWDHMSA-N 441.019 4.966 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ccccc2Cl)CC1 1760315421 FIASVNJJFXJDDX-DXIQSLLYSA-N 444.023 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCCSC 1760320174 SQQXOGQTJDGYCI-KNQAVFIVSA-N 437.613 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(F)cc(F)c1 1760335653 PIMFWMRFWSSOFJ-GCJKJVERSA-N 439.510 4.544 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](SC)C1 1760352073 OBGNUTYYJKPWOX-NQIIRXRSSA-N 448.608 4.872 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1760359642 JJJCRPXTBHVTKC-NRFANRHFSA-N 426.605 4.537 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CCCC2)CC1 1760387978 XORLBPYCHHRNLU-HXUWFJFHSA-N 429.609 4.739 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)COCC)CC1 1760404027 PJBSZNZKMIBLLS-UHFFFAOYSA-N 439.604 4.612 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)OC)CC1 1760404641 DTSCBFIRYAJPQD-UHFFFAOYSA-N 439.387 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1760409827 IZADEIMQHLDFOX-QFIPXVFZSA-N 432.616 4.991 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1760426517 VNQNCBQYXHBASU-UHFFFAOYSA-N 448.615 4.534 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)C(C)C 1760489930 MXRANZYLDGULBR-LVCYWYKZSA-N 440.463 4.559 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@H]2CCCCO2)C1 1760537909 SZAFZVSHXDVVRT-RTWAWAEBSA-N 430.980 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccsc2)C1 1760539042 JBTYUMMSTDVAQX-LJQANCHMSA-N 446.523 4.632 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCn1cccn1 1760560830 GODHVTLLLQSOJK-UHFFFAOYSA-N 442.658 4.528 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1760698056 BLMFGNRWDLYJKM-XPQZIERPSA-N 443.567 4.576 30 10 IJEE Cc1ccc(CC[C@@H](Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)C(=O)O)cc1 1860824983 GUBVTYNPHFKJRL-GOSISDBHSA-N 439.924 4.861 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)[C@H](C)CC 1861073613 GBYYMBMCYJEXNX-MTFZZQFQSA-N 432.605 4.725 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCN(C)C)c1 1862429611 QOKWHWHHVFAPFI-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862462430 CLUNPVPZPBSSJK-NRFANRHFSA-N 444.453 4.691 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862481169 YHDYEGIDLYNBBR-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1862489120 PXQMQDZYZVBECC-DEOSSOPVSA-N 443.499 4.802 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538098 DBRYWIFTGWZQSZ-BLVKFPJESA-N 434.319 4.515 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862598203 ZRVHXWKCHHXWCO-DEOSSOPVSA-N 443.499 4.960 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862662839 LVWAUUJNWYXGLB-XMMPIXPASA-N 442.515 4.992 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1ccccc1F 1862737407 WHZXXISTZNXLDR-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 1863446415 ZYNDTCCECMVPCY-UHFFFAOYSA-N 427.891 4.646 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1863509979 XIRUXTOSOCSGFM-UHFFFAOYSA-N 448.542 4.932 30 10 IJEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccc(OC)cc2)C1=O 1863671586 UVPKPOXWZYZOSG-UHFFFAOYSA-N 434.580 4.968 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)COc2cc(Cl)ccc2Cl)cc1 1870146068 BRYAHSMOPKNLGD-UHFFFAOYSA-N 444.322 4.806 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1CCCCN1CCCC1 1870691052 IHHNKUOOIHPPGR-UHFFFAOYSA-N 449.639 4.520 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1OC 1871374410 JESYRQDTYNLPOM-FMCGGJTJSA-N 448.446 4.916 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1F)C2=O 1871392756 QZCCQAXEONDHIG-STZFKDTASA-N 441.499 4.621 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871400085 GOJFVQHDBPZJNC-ODLFYWEKSA-N 431.282 4.787 30 10 IJEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871447426 SWNYWMORYHYOMG-HMAPJEAMSA-N 444.443 4.927 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 1871972840 LFUIACQQTIJURF-NRFANRHFSA-N 436.524 4.729 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C 1872313830 LGMZVOAMMQDKBL-JOCHJYFZSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(F)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872380510 OQMLNUQBWHRRNQ-AUUYWEPGSA-N 442.553 4.647 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccc(C)cc1C 1872708743 AGOXAAOYNGXIGN-UHFFFAOYSA-N 430.549 4.574 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1C 1872782114 DUVBIWRAQSIVOP-FQEVSTJZSA-N 443.528 4.680 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)cc1 1874293390 APDCKWLHDFOESO-DHRITJCHSA-N 437.500 4.507 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(C)c1 1874434637 OYZCKGYSGPKMRG-VULFUBBASA-N 429.549 4.550 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2F)nnc1[C@H]1CCCO1 1874445688 IPGFYBFIHNWPPS-TYLRVVQJSA-N 432.908 4.802 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2ccc(C)cc2)nnc1C1CC1 1874516538 COLXLMSBNVYGSD-ZMOGYAJESA-N 438.553 4.664 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2cnc(C)cn2)c(OC)c1 1875118173 OPPJVYIRYYZBQW-CMDGGOBGSA-N 438.867 4.571 30 10 IJEE C#CC[C@H](C[C@H](NC)c1cc(Br)ccc1I)C1CC1 1887490995 XXHYMYCGTGTFIW-WBMJQRKESA-N 432.143 4.754 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@]1(O)CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 1922047196 PMYCAGPETKKFKO-VRUMLPLGSA-N 443.584 4.649 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 1922085750 LEJJOOHPQAOJGT-RXVVDRJESA-N 430.511 4.973 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](Cc1nccs1)NC(=O)OC(C)(C)C 2004746883 FMEGYFRSWNRAAV-IFMALSPDSA-N 445.629 4.720 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 2032369818 VQBXHGTVRFQCBZ-YLJYHZDGSA-N 445.560 4.976 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2cc(F)cc(C#N)c2)CCN(Cc2ccccc2)CC1 2067207128 JLCLCRYUNUWGLD-UHFFFAOYSA-N 438.547 4.669 30 10 IJEE C=CCC1(C(=O)Nc2c(Cl)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2124499104 GGGMCAAPCSLYGG-UHFFFAOYSA-N 447.732 4.993 30 10 IJEE C=CCN(CC[C@H](NCC)c1cc(Br)cc(OC)c1)C(=O)OC(C)(C)C 2136327012 QWAQWRVFGSXYHD-SFHVURJKSA-N 427.383 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1ccc(C#N)c(Br)c1F 2162292132 VDSCMWAZKWVRFK-QGZVFWFLSA-N 448.283 4.907 30 10 IJEE CC(C)N(C[C@@H]1CCCN(c2cc(Br)cnc2C#N)C1)C(=O)OC(C)(C)C 2174709314 DLWGQIFWAFJIED-OAHLLOKOSA-N 437.382 4.578 30 10 IJEE C=CCC1(NC(=O)c2ccc(Br)cc2F)CCN(C(=O)OC(C)(C)C)CC1 2174761555 RENWNDYXGCQVQK-UHFFFAOYSA-N 441.341 4.664 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181147226 QUEALFIMBDTEFL-VLIAUNLRSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)CC1 2205397840 XZLLGMNFFPNHIB-CTYIDZIISA-N 436.350 4.733 30 10 IJEE CC1(C)CCN(Cc2ccccc2)CCN1Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2223452612 OMGFNMJHDHUKNR-UHFFFAOYSA-N 440.462 4.534 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccccc2Br)CC(C(F)(F)F)C1 2235722742 SOZUWDDZFBELBK-UHFFFAOYSA-N 446.263 4.606 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2235726144 XJGFCPALGWOIKA-HZPDHXFCSA-N 449.311 4.624 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239664403 KPIUSCBRRSIBFV-HKUYNNGSSA-N 439.394 4.805 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2258198397 AOTZKKNLCAZOOY-DEOSSOPVSA-N 438.568 4.550 30 10 IJEE CC1(C)OB(c2cccc(F)c2CN2CC[C@]2(C)CCOCc2ccccc2)OC1(C)C 2273974204 WPEGWJPZBQIFQA-AREMUKBSSA-N 439.380 4.696 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Br)o1 2278737141 HTHRANYTCIWVHN-LBPRGKRZSA-N 447.952 4.879 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2296294563 VTPSVQYHPJMWQN-ILZDJORESA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C 2296304995 NPAWFPZVZIENQC-XAMWDVODSA-N 435.406 4.670 30 10 IJEE CC(C)[C@@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317349943 LHMAWKZEMXAKNY-GOSISDBHSA-N 431.386 4.687 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 2321852337 VRSDCCWTBXGOQR-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(C[C@H]1COc3ccccc3O1)CO2 2322234793 XTHUBSWATZQGNL-IBGZPJMESA-N 441.483 4.603 30 10 IJEE COc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCC(=O)NCc1ccco1 2322856962 TYXIHDQGNGJGPD-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(N(CC)CC)cc1 2325589357 HQFYBQMAXPWNPA-UHFFFAOYSA-N 438.557 4.769 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1F 2325748457 QZVCPYWFXLCREU-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326592195 OEPVRWAXFYLNHN-UHFFFAOYSA-N 425.514 4.549 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1[N+](=O)[O-] 2326899304 HEXUFNMHAZBWBW-UHFFFAOYSA-N 425.558 4.939 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCCO)n2N=Cc2ccc(Cl)cc2)c1C 2327304885 PHZHTEZFPDDWKD-UHFFFAOYSA-N 444.988 4.792 30 10 IJEE CCCc1ccc(OCc2nnc(SCCO)n2N=Cc2c(F)cccc2Cl)cc1 2327408301 FVCVJDORPOKQNP-UHFFFAOYSA-N 448.951 4.569 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)cc1 2328572072 CJQZMUKKOPINJO-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE C(=Nn1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)c1ccccn1 2328746553 XPGXITRREFLUJY-UHFFFAOYSA-N 443.576 4.902 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c(O)c1 2329840003 WZOXZAXUCKFISL-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2c(Cl)cccc2Cl)cc1 2330024611 RGYONHDHTUVDSP-UHFFFAOYSA-N 435.380 4.841 30 10 IJEE O=C(CSc1nnc(CCc2ccccc2)n1N=Cc1cccs1)Nc1ccccc1 2330158983 KBLJHQYXWALWFM-UHFFFAOYSA-N 447.589 4.738 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccn2C)cc1C 2330631953 VWNVWSPOQDPTQN-UHFFFAOYSA-N 444.564 4.513 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccc(F)c1 2330865829 SZPUZZWBEGZBDB-UHFFFAOYSA-N 433.597 4.629 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 2331673447 LEDSHVPLVKYRPG-UHFFFAOYSA-N 437.906 4.890 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CC2)cc1 2331724098 URZWUQYPEZKETB-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339544278 DIHOKSFYONDYFI-MOPGFXCFSA-N 443.397 4.974 30 10 IJEE COc1cc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cc1OC 9495984 IOJFLQJKIVVBPC-HSZRJFAPSA-N 433.508 4.720 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3c(F)cccc3Cl)nc12 12289538 WVZUKGUOVXERER-UHFFFAOYSA-N 435.846 4.654 30 10 IJEE C(=N/N=C(\c1ccccc1)C12CN3CN(CN(C3)C1)C2)\c1c2ccccc2cc2ccccc12 19333544 USWKMSNBPRAUGR-WUIBPDFCSA-N 445.570 4.622 30 10 IJEE Cc1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(C#N)c1C 20570913 CTBWEOAHRJNOLZ-UHFFFAOYSA-N 445.953 4.943 30 10 IJEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1OC 21177444 ALIXCSZBDKFUIR-INIZCTEOSA-N 446.532 4.838 30 10 IJEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2OC)ccc1O 33321115 GOQWCUPDBBHCNV-NPMXOYFQSA-N 432.476 4.664 30 10 IJEE COC(=O)/C(=N/Nc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 33350322 MDQXWXSWNXVXAL-QLYXXIJNSA-N 429.505 4.625 30 10 IJEE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814762 BYPGABBAUXDZNL-XIEYBQDHSA-N 449.423 4.809 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)c(OC)c1 102600984 DHUIWXSOQHLXHC-UGUGFTGJSA-N 429.472 4.639 30 10 IJEE CCCOc1cccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 102716722 VEMGJBFFOOHGIA-AGGMBTAESA-N 436.439 4.537 30 10 IJEE COc1cccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)c1 102729737 NGSKNEKJAZTDRV-UGUGFTGJSA-N 444.487 4.504 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949876 PVCBHCZSAMEBML-NRFANRHFSA-N 441.911 4.878 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccn2)cc1Cl 169996445 ZFUODXXJEUZBEN-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccncc2)cc1 170016749 PHGRFIASSOIWNZ-XMMPIXPASA-N 440.499 4.923 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170102169 VSSCEZRHNCTVCP-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)cc1C 170122557 BHGWWKVHZIWDPQ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(F)cc1 170239161 XTOBJWWKQKMNEM-JOCHJYFZSA-N 447.462 4.940 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccc1C 170270365 MPCYIEYTLNOHOH-FQEVSTJZSA-N 448.544 4.652 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccccc1C 170278250 YJISSYKLGUPRIM-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccco2)cc1 170281381 COMNGAVXWHOFGT-JOCHJYFZSA-N 447.443 4.578 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)c1 170432514 KRDKPKYMHQDNHY-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2sc(C)c(C)c2C#N)C[C@H]2CCCC[C@H]21 230132207 CBQADHRYCMWRCD-AHRSYUTCSA-N 437.565 4.657 30 10 IJEE N#Cc1sc(Nc2ccc(Br)c(I)c2)nc1Cl 310420346 QLUVFXOOTVJSNB-UHFFFAOYSA-N 440.491 4.779 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 406135714 OWFVKKXAPDDTEQ-SJORKVTESA-N 429.786 4.540 30 10 IJEE C=CCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)c1ccc(C(F)(F)F)cc1 441580682 NHAGNLIMCPXKSF-FQEVSTJZSA-N 439.499 4.865 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H](C)Cc1ccc(O)cc1 460776430 CJFLPQNKVNRJTR-SFHVURJKSA-N 438.597 4.928 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc(OC)c1OC 465822377 ZGQDNMLYQCMOBD-MRXNPFEDSA-N 437.323 4.672 30 10 IJEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)Cn1cc(-c2ccccc2)nn1 474690913 GVLAKMLWZRSFDO-UHFFFAOYSA-N 431.443 4.608 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc1 488379081 YMGJJKYWLMSYHO-UHFFFAOYSA-N 440.459 4.855 30 10 IJEE Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s2)cc1 503129730 DQWSQLAXSZQMID-WAIKUNEKSA-N 427.570 4.866 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C(F)(F)F)C1 508481313 PJXOLWDWGXZGBU-LBPRGKRZSA-N 445.283 4.681 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)N2CCCCC2)CC1 508850565 VPLFBBKRNVTGIF-UHFFFAOYSA-N 448.398 4.667 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1Cl 517597953 DMOOUXSXKODMIN-GMAHTHKFSA-N 444.922 4.922 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](COCc2ccccc2)c2ccccc2)cc1 524623840 RVNFLMJVDMSFEZ-XMMPIXPASA-N 429.520 4.682 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 549641182 JQBGIXZISIAWAF-FDDCHVKYSA-N 436.531 4.559 30 10 IJEE C=CC[C@@H](CO)NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 562902731 PNSDORJCNNHLGG-KRWDZBQOSA-N 427.888 4.633 30 10 IJEE N#CC1(N(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)C2CC2)CCC1 564218326 URSMQGFOCZIIGL-UHFFFAOYSA-N 425.558 4.573 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccccc1F 586258351 STFWKOINPXHYIA-UHFFFAOYSA-N 430.888 4.755 30 10 IJEE CC(C)Cn1ncc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cnc21 609104641 MIBYJLRHAUBDQH-UHFFFAOYSA-N 443.482 4.929 30 10 IJEE Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccc(C#N)cc3F)[C@@H]2c2cccs2)cc1 729832626 BJDGLQPFWGFBOL-GBXCKJPGSA-N 447.535 4.868 30 10 IJEE C=CCn1c(CCN2CCCCC2)nn(CN(C)Cc2ccc(F)cc2Cl)c1=S 730455366 TWCXLLQVWOKKRV-UHFFFAOYSA-N 438.016 4.510 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)cc1C 733197687 QXCWJZHFTYMZFW-FQEVSTJZSA-N 441.503 4.565 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741183300 GJLVWBAEONUIDU-QZTJIDSGSA-N 425.410 4.824 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)C1CCCC1 757439943 VPRUUKLUQXSYOZ-UHFFFAOYSA-N 441.314 4.812 30 10 IJEE C[C@@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1)c1cccs1 762440442 MJVILZGREYZCLT-CYBMUJFWSA-O 442.973 4.828 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)cc1 1084010429 MCYIPSQQJKBEKV-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnc(Br)c(OC)c2)c1 1125778677 RZNJAVMZTUKFJB-UHFFFAOYSA-N 427.323 4.743 30 10 IJEE O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cnnn1-c1cccc(F)c1 1128122671 HFGOYMBFQPZKLD-HNNXBMFYSA-N 446.326 4.849 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1128161460 MKEFQBBJOGZQIH-FYWRMAATSA-N 445.441 4.762 30 10 IJEE C#CC[C@]1(C(=O)N(Cc2ccccc2Cl)CC2CC2)CCCN1C(=O)OC(C)(C)C 1128904079 MLBFVEMIUFZAFR-XMMPIXPASA-N 430.976 4.872 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H](OC)c2ccccc2Br)C(F)(F)F)cc1 1128968389 KXTVDPIBAMAYNI-IRXDYDNUSA-N 427.216 4.965 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)C[C@]1(C)c1ccccc1)c1ccc(F)cc1 1129603226 PSCISZNWVATAEQ-STROYTFGSA-N 426.535 4.706 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)CCc2cc(Br)cs2)nc1 1129842636 DDPZAGGVNPFGIG-UHFFFAOYSA-N 426.339 4.943 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1)C(C)(C)C 1131324573 LPBTYTVSSWDTEQ-UHFFFAOYSA-N 425.536 4.968 30 10 IJEE C#CCN(C(=O)c1cc(F)ccc1I)[C@@H]1CCCc2ccccc21 1134310763 FPQPHHNNSCDWBK-LJQANCHMSA-N 433.264 4.583 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)n[nH]2)c1C 1137735964 TUGLESUKUVUNMQ-UHFFFAOYSA-N 439.932 4.500 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC2(C)CCC2)ccc1Cl 1151266868 AOLNFINOUTWCII-UHFFFAOYSA-N 436.936 4.533 30 10 IJEE C#CCN(C(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)[C@H]1CCCc2ccccc21 1178953133 AHQSFJILBBQPFM-JXFKEZNVSA-N 439.581 4.882 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)OCCC)cc2)c1 1186557412 PDHBPXOQYAFJGF-UHFFFAOYSA-N 433.529 4.630 30 10 IJEE C#CCN(Cc1cccnc1Br)[C@H]1CCOc2ccc(Br)cc21 1204923762 PEBRPRQAFDLNFM-INIZCTEOSA-N 436.147 4.566 30 10 IJEE C#CC[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccccc1 1224386929 GMBLIVYKHMBIEY-GOTSBHOMSA-N 435.568 4.879 30 10 IJEE CC1CCC(Oc2cc(CNC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccn2)CC1 1227942463 ATTBPGKEOORJKW-UHFFFAOYSA-N 430.552 4.910 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F 1229989933 PCCDBJBXELWQHQ-JXFKEZNVSA-N 426.866 4.577 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(OC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 1230693048 ADZOSMQTHIMUCG-SFHVURJKSA-N 427.467 4.585 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1ccc(Br)cc1 1252458779 MEYISOCSPBVCRH-FDFHNCONSA-N 449.352 4.548 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCC[C@@H]1C 1286272617 BJUQLWKVXKMGDH-AYSMAOOMSA-N 428.989 4.822 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286341658 HOBLHVKCTBRZNF-VQTJNVASSA-N 434.506 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1C(C)C 1286566493 NCFSGYBKTXDKRR-HARLFGEKSA-N 428.552 4.602 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2ccccc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635000 HHGJMZZHWZRROK-KDURUIRLSA-N 445.995 4.746 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(Br)cc2)CC1 1286664648 ZXWBRHBNNKPEBN-FQEVSTJZSA-N 445.405 4.927 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CCC)C1)c1ccccc1 1286679209 MBBPZDQIYAZYBJ-DNQXCXABSA-N 431.584 4.629 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCCO[C@H](C)C1)C(C)C 1286750594 DNCUVHFUVBIZKW-VWNXMTODSA-N 437.632 4.567 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1CC1C[C@H](C)O[C@@H](C)C1 1286763107 SXECBIJWAGJLGS-VXKWHMMOSA-N 445.611 4.703 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H]1CCSC1 1286826345 FIPPFOCREBZXLG-NVXWUHKLSA-N 434.700 4.992 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2cccc(OCC#N)c2)c2ccccc21 1293361126 FUMYJJYOJQSEIF-IBGZPJMESA-N 435.524 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H](F)c1ccc(Br)cc1 1300299234 MJRYKMBKGBPMDT-YJBOKZPZSA-N 442.336 4.580 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCC2)CC1 1300372109 NCKCPZVLDDYVPK-UHFFFAOYSA-N 449.643 4.633 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC[C@](C)(CC)O1 1300600685 AGSJLXKKCJVBJG-WGGBDISSSA-N 430.980 4.879 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCC 1300642632 AQCOBNKBFIAWLC-IBGZPJMESA-N 432.037 4.558 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(C)o1 1300897122 OGKXFDYEGKLJEY-YKSBVNFPSA-N 436.556 4.685 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[C@@H]2CCCCO2)CC1 1301112330 QZBLSWLHIKZGRT-NRFANRHFSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCN(CCC)CC2)CC1 1301134735 NKODJZYIQULESQ-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1301147903 ISWJAFGHCRNJHZ-RXVVDRJESA-N 446.542 4.631 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1301212254 TZHSCPWZLBVMIS-UHFFFAOYSA-N 448.571 4.517 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C)c1cccnc1 1302512072 BCWCRDSXUAUAIJ-AUSIDOKSSA-N 444.583 4.655 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@](C)(C#N)C2)C1 1307030396 BXWJTIHRZDTXHD-UZUQRXQVSA-N 444.986 4.600 30 10 IJEE C#C[C@H]1CCCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1 1307877198 GODBCRHQWSNQMY-INIZCTEOSA-N 429.383 4.884 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc(C)c1C(=O)OC)c1ccc(C(F)(F)F)cc1 1309335808 VWLXMLPODWYRRG-QGZVFWFLSA-N 441.471 4.786 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)nc1 1310781458 DUEVMXKMOCLCOM-OAHLLOKOSA-N 425.558 4.503 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)COc1ccccc1C(F)(F)F)c1ccc(Cl)cc1F 1311711923 HCLFMEXYVSHJIJ-SJKOYZFVSA-N 428.813 4.939 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CC2)C1)C(C)(C)C 1316397496 FAPQOVGVEWYKIS-HXUWFJFHSA-N 439.629 4.887 30 10 IJEE CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1347946288 AODRIXUKTXCVPH-ZWKOTPCHSA-N 430.335 4.846 30 10 IJEE C=C[C@@H](CC(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1)c1ccccc1 1351663656 YVVXQBARCGAFCJ-SFHVURJKSA-N 439.508 4.916 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ncc(C)cc1C)c1ccc2c(c1)OCCO2 1352837311 HQOUIZDTJNXEQH-UHFFFAOYSA-N 430.504 4.881 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccs2)CC1 1358907463 PZRDHCDABROMFL-UHFFFAOYSA-N 443.979 4.929 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(OC2CCCC2)c1 1358939126 QSYRJXNWONYGNM-QHCPKHFHSA-N 429.568 4.654 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1nccs1 1359003846 ZKLYFBWMBKQTNY-HOTGVXAUSA-N 425.627 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCCC1 1359108796 DCQPIPAXBOOXLD-UHFFFAOYSA-N 433.394 4.724 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC1CC(F)(F)C1 1359118670 VLHRYIQBBYVOEJ-UHFFFAOYSA-N 441.320 4.774 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1359125633 MNDXRGFCZWATFV-NMLBUPMWSA-N 429.609 4.941 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCC1 1359254894 HCVXWFDQTCRUCM-JOCHJYFZSA-N 440.588 4.680 30 10 IJEE C=CC[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1359981697 ZHFQHRBNXQZSKE-XZOQPEGZSA-N 426.988 4.968 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2cc(Br)ccc2OCC)C2CC2)cc1 1360108508 ZEPKDFUFDCNIMF-UHFFFAOYSA-N 428.326 4.665 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)C1(CO)CCCC1 1452443501 ZELQXYCGIXICQB-LEWJYISDSA-N 430.589 4.646 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccccc1 1458133976 KTPACPLICACQST-XMMPIXPASA-N 434.561 4.949 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(O)cc2)nc2cc(-c3ccccc3)sc2c1=O 1458866434 ZLZBGLOTROAOGG-UHFFFAOYSA-N 434.542 4.992 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(Cc3ccc(C#N)cc3OC(F)F)C2)C1 1460106935 BWIZSKUBPQIPEF-ZWKOTPCHSA-N 435.515 4.629 30 10 IJEE C#C[C@@H](NC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)c1ccc(Br)cc1 1460791366 XWRXJKSIHXMSCI-QGZVFWFLSA-N 439.231 4.531 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1460844130 LQDKUUTWIGASHQ-HOFKKMOUSA-N 434.580 4.869 30 10 IJEE C=CC1(CC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CN(C(=O)OC(C)(C)C)C1 1464755859 NUSKYKPJGYCRDD-UHFFFAOYSA-N 434.949 4.610 30 10 IJEE C=CCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(Cl)cc1 1464948450 IDCSWXUVRVZLMO-UHFFFAOYSA-N 449.960 4.614 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1 1465381675 RVIWFDKBTBSBGK-RDGATRHJSA-N 448.494 4.963 30 10 IJEE C#CCN(Cc1ccc(Cl)nc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1473797685 QKFWHZMNYIPYDG-UHFFFAOYSA-N 431.886 4.589 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 1475204023 XWFLSPNDHYKGIU-UHFFFAOYSA-N 427.463 4.973 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cccc(OCc3cccc(OC)c3)c2C)cc1 1476291227 KJKNBCMMMGHJDI-UHFFFAOYSA-N 430.504 4.916 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 1476419342 HJDGOXDGXKTHNM-UHFFFAOYSA-N 436.965 4.785 30 10 IJEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCC[C@@H](C)C1 1493695706 GUVHPRXDLSGSCS-ZRCGQRJVSA-N 434.632 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)CN1CCCC1 1507814932 FMZVUFOTJIVCEJ-HXUWFJFHSA-N 434.588 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)ccc1OC 1507823561 LELBXWQNADXPIT-TZIWHRDSSA-N 430.568 4.795 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1507838493 RVEWDQNEAITSTJ-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](CC)N2CCCC2)CC1 1507877680 AANFVEQFYFJMLX-GOSISDBHSA-N 444.421 4.738 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1507909899 WTEGINMVZIVZJC-UWHHFBIGSA-N 430.637 4.947 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC)C1 1507930308 AHUAWTIBFRSASA-LJQANCHMSA-N 434.588 4.829 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1507932391 RBYCNFKYJDVMBN-UHFFFAOYSA-N 433.531 4.935 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C(C)C)C1 1507942806 XFJQGCDMJFMTCT-IBGZPJMESA-N 449.393 4.544 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1507948161 NXDIHXWNLWKJMA-IRLDBZIGSA-N 445.007 4.742 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1507988118 PPDMNKXAQQMONH-UXHICEINSA-N 441.595 4.832 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1507990896 PFBMXODVUVIOEQ-OALUTQOASA-N 440.588 4.711 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CCCCC1 1508007242 WUKZYQRPEPUPJK-HSZRJFAPSA-N 425.602 4.859 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1508150002 GNRHFWLKSIMTQL-FQEVSTJZSA-N 433.021 4.913 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(C)C)C1 1508151655 ZWKUVYLZDJJJRJ-GOSISDBHSA-N 430.618 4.754 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1509918509 HKMJFEAZHCRKRQ-YLJYHZDGSA-N 446.580 4.972 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C[C@H](C)C#N)cc1 1510874940 BIPXQASABIKAIW-CQSZACIVSA-N 430.375 4.722 30 10 IJEE CCc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCC(C)(C)C)cc1 1513647833 NEWZYEHBIQBMJE-UHFFFAOYSA-N 444.583 4.869 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C2CC2)cs1 1517254121 DSIGVDJHSOUEKP-UHFFFAOYSA-N 432.475 4.588 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 1521760841 DOQVWFKIJHQPGA-CMQXMCPJSA-N 444.572 4.569 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2(Cc3ccccc3Br)CC2)cc1OC 1523704975 ICCPENNXRQKLAM-LUAWRHEFSA-N 442.353 4.927 30 10 IJEE C#CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@@H](C)C2 1526824921 KRLGFERYGRJWOC-SRIJWZPRSA-N 440.543 4.746 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H](C)CC(F)(F)F)nnc1-c1ccc(Cl)cc1 1528871946 NPDSOLDDSCUKAF-LBPRGKRZSA-N 432.899 4.581 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1OC 1529385880 FHTIFYNTGOWSNK-SWRMPZFOSA-N 446.469 4.687 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1sc(C)nc1C)c1ccc2c(c1)OCO2 1529763844 HTFRKJVFPUUAHZ-UHFFFAOYSA-N 436.533 4.829 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1ccccc1 1533767253 ZTKGFTYRNOMJBZ-NHCUHLMSSA-N 446.638 4.671 30 10 IJEE Cc1ccc(SC2(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCC2)cc1 1536961760 BOSJIWILABRKBR-QFIPXVFZSA-N 433.577 4.583 30 10 IJEE C=CCN(C(=O)Cc1coc2cc(Cl)ccc12)[C@H](Cc1ccccc1)C(=O)OCC 1537325439 OFRJNLSHNOENCJ-OAQYLSRUSA-N 425.912 4.818 30 10 IJEE C#CCOc1ccc(COC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccs2)cc1 1538169562 JJLZWBFRHSMXPX-DNQXCXABSA-N 431.557 4.719 30 10 IJEE CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1538235090 BIUBGOTVAQDJKC-GLDPYIMESA-N 432.568 4.623 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1538992175 MKRBERPERGHBHP-SJORKVTESA-N 432.515 4.636 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C1CCCCC1)N(C)C 1539154696 MOWIBQNIPLKPBD-GHTZIAJQSA-N 439.673 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1CC(C)(C)C1 1539301343 OULJFJLXOKHUQH-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(Cl)nc1 1539377453 IRVDDIFWHCDABA-UHFFFAOYSA-N 437.975 4.845 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539496194 DSUCDODPFAICHI-MOPGFXCFSA-N 442.604 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccc1OC 1539652493 VJMYRFCSCXHAIF-UHFFFAOYSA-N 444.377 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccsc1 1539667582 KIDLLDXFMVINGI-IBGZPJMESA-N 445.633 4.905 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC)Cc1ccc(F)cc1C 1539772883 OSEUTICONZWZMG-UHFFFAOYSA-N 442.926 4.542 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2CN(C)C(C)C)CC1 1539882339 XFRSMZNRAALSMM-UHFFFAOYSA-N 430.600 4.631 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1539915729 CZCXAHWUQOBMQQ-UXHICEINSA-N 440.563 4.623 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(OC)ccc1Br 1540020783 XCGCOEBRUAFFEA-GOSISDBHSA-N 435.366 4.503 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1540047304 GLGLQFMHYUFCDE-GOSISDBHSA-N 432.012 4.958 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCc2sccc2C1 1540088559 MVARGXAYMBYXMW-UHFFFAOYSA-N 439.654 4.621 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@@]2(CCCOC2)C1)C(C)C 1540152085 PIFZJZNRIQJAKS-OZXSUGGESA-N 441.664 4.641 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2OCC(F)(F)F)C1 1540882275 FTRZTSGGAOLMCC-FUHWJXTLSA-N 438.494 4.562 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCC(F)(F)CC1 1541105045 DRLXXTPKBCFAIM-INIZCTEOSA-N 439.514 4.757 30 10 IJEE C=CCOc1ccc(C(=O)NCCc2cc(Br)ccc2SC)cc1OC 1558607002 KTPGOUACFJCLCU-UHFFFAOYSA-N 436.371 4.717 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)c1ccc(C(F)(F)F)cc1 1566675836 LZKOKIYPDVDRPU-OFNKIYASSA-N 430.470 4.677 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc3cc(Br)cnc3n2C)C(F)(F)F)cc1 1587315372 LZGPIPOFOUWDBR-MRXNPFEDSA-N 437.215 4.778 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@](C)(OC)C1 1587812900 DNDHXKQLBVRSQW-SANMLTNESA-N 431.584 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1589546444 QVTHEOLSFSNBIQ-OFNKIYASSA-N 442.579 4.511 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1594793190 IOHBILSBFBJPOT-UHFFFAOYSA-N 426.870 4.890 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1csc(CC)n1 1595120565 VWADQHVBJWCBQB-UHFFFAOYSA-N 430.581 4.524 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1CCC(=O)Nc1cccc(Cl)c1C 1595200990 XXZCVRQIWUSFRX-UHFFFAOYSA-N 436.947 4.509 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(CC)o1 1595900541 FDKHMYUWRLBTJA-FQEVSTJZSA-N 440.617 4.556 30 10 IJEE C=CCn1c(SC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc2ccccc2c1=O 1613241131 QECOZDDAFZXVIV-KRWDZBQOSA-N 429.586 4.712 30 10 IJEE C=CCc1cc(C(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)cc(OC)c1OC 1616953910 WQROMGKNYMPPBW-UHFFFAOYSA-N 434.467 4.758 30 10 IJEE C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)[C@H]1CN(Cc2ccccc2)CCO1 1620809552 DVFALALXOCXWAA-RBISFHTESA-N 441.575 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)C1 1625057101 AQSGLAREEUNHKN-WZYRSQIMSA-N 437.584 4.547 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Br)cc(Br)c1)C(C)C 1628248823 CRBOQGACFOHCEU-KRWDZBQOSA-N 444.211 4.640 30 10 IJEE Cc1ccc(-n2cc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)c(C(C)(C)C)n2)cc1 1628894764 AJOOHDNSGVFPSW-DEOSSOPVSA-N 441.579 4.501 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)CCc3cccc(OCc4ccccc4)c3)CCO2)c1 1632183291 HXHTZFSQGPGQRL-SANMLTNESA-N 426.516 4.670 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1 1634973010 QQMLZGNDCVPSLK-AZUAARDMSA-N 433.321 4.851 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1636857223 ZMHWXOQVTUZBKV-OLCVKUIDSA-N 435.505 4.595 30 10 IJEE C=CC1(CC(=O)N2CC[C@H](c3cccc(OC)c3)C2(C)C)CN(C(=O)OC(C)(C)C)C1 1636972501 QFQREPJGVPXOPD-HXUWFJFHSA-N 428.573 4.603 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1638987965 SNWMBRHDHVSSTC-ICSRJNTNSA-N 425.529 4.664 30 10 IJEE C=CCn1c(SCCCCCC(=O)OCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643337813 FFDJXYVQWLJDIP-OAHLLOKOSA-N 434.627 4.984 30 10 IJEE C=CCn1c(SCc2c(C)nn(C)c2Cl)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652349342 VEHAOUVPLDKHSI-LLVKDONJSA-N 435.018 4.756 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)c1ccccc1 1663910010 OWEYMBIXFUCBDM-HNNXBMFYSA-N 427.975 4.872 30 10 IJEE C=CCC[C@@H]1CCCN1S(=O)(=O)c1c(Br)cc(C)cc1Br 1665938502 SELCDQHDBNDPPK-GFCCVEGCSA-N 437.197 4.639 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)[C@]12CCCO2)c1ccc(C(F)(F)F)cc1 1670826522 HHHKIRFTRFOEPA-PXCRPINLSA-N 426.479 4.739 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 1671036992 GONCGRXQVKRRFU-GOSISDBHSA-N 430.932 4.984 30 10 IJEE C=CCCOCCNC(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1671206572 DWZARKVMSGYNSC-JOCHJYFZSA-N 431.374 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)OCCc2sccc21 1689840197 UVVXHVQGWKFBJI-FPTDNZKUSA-N 444.963 4.745 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC(OC(C)(C)C)CC1 1690230486 FXLDMSGWBAQXBG-UHFFFAOYSA-N 439.423 4.623 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1690254281 ZEGDSUDLQNPRTI-XZOQPEGZSA-N 431.584 4.722 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CCC2)CC1 1690414811 LGFRRONTHULBHR-UHFFFAOYSA-N 445.007 4.569 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](CN(C)CCC)C1 1690472719 UOTFGQCSHBJWGU-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(SC)CCOCC1)C1CC1 1690549688 IEBUMKKISLWDAS-UHFFFAOYSA-N 442.629 4.541 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(SCC)c2)C1 1690709161 CYZDWQHRDVHDQD-HXUWFJFHSA-N 440.638 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1705484140 JQGRGDNJIOSHIS-MZLICYQSSA-N 446.551 4.556 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C(C)C 1705516531 DADGWRDZBNIOOC-NRFANRHFSA-N 443.636 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC1CCC(F)(F)CC1 1705678148 PQMSJWOKYRXNDV-HSZRJFAPSA-N 444.526 4.683 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCC(C)CC1 1705712452 UHGQXXLCWIUTRP-UHFFFAOYSA-N 431.028 4.908 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC=C(Br)C1 1705815398 VATSLSGCGZQMMR-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)noc1C 1705834189 GAKIXGXNCRWDJB-QGZVFWFLSA-N 429.952 4.964 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCCC1 1705864749 LPDMXCWQCCEUTF-UNMCSNQZSA-N 442.579 4.914 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(C(C)C)C1 1705877935 RIPODYIDFXLXNF-HSZRJFAPSA-N 432.616 4.629 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2ccc(F)cc2Cl)n1 1707595054 CSFFEMIACJWBHM-HSZRJFAPSA-N 438.938 4.814 30 10 IJEE C[C@@H]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 1708013727 BBRRZAFUCRSLKX-NEWSRXKRSA-N 447.505 4.944 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](C)N1CCC[C@H](C)C1 1722470476 HBRMIADTQJIXRD-AXHZCLLHSA-N 426.008 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(C)C1 1722494018 LPWMXZZBNROEAY-GGAORHGYSA-N 449.599 4.675 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOCC2CCOCC2)CC1 1722563015 RVFLKJUKCBEODQ-UHFFFAOYSA-N 448.970 4.727 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1722583792 YQSYNYZPCLHHSG-ICSRJNTNSA-N 428.552 4.604 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCSC1 1722595078 JLTYSUWLEJPYJT-DEOSSOPVSA-N 437.613 4.544 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCCCCC1 1722598718 AFORPMICAVEDOL-UHFFFAOYSA-N 444.649 4.673 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722599989 IPQJITORDXYYES-OAQYLSRUSA-N 440.979 4.749 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1Cc1oc(CC)nc1C 1722660589 ZGENQZZQQYPHRP-UHFFFAOYSA-N 446.530 4.887 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@@H]2C)C1 1722713388 BBCFJXSVKAVFPN-OKZBNKHCSA-N 445.405 4.925 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1722735660 OEFXGXILKLSRPD-UHFFFAOYSA-N 433.503 4.915 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1oc(CCC)nc1C 1740649441 UIUZQFXIRJKNNU-QFIPXVFZSA-N 429.568 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC[C@H](OCC)C1CCCC1 1740729547 JHIJGDQUNKXTKP-BKMJKUGQSA-N 436.600 4.931 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1740746035 CKOVIZIGCPMPTR-LSDHHAIUSA-N 446.418 4.589 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1740885865 PMZLKXXDNNPDLR-JOCHJYFZSA-N 438.616 4.631 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@@H](C)C1)C1CC1 1740910914 ULAXCCCYCFDCEJ-MOPGFXCFSA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CC 1740922646 NWFALWVJLOXERM-OAQYLSRUSA-N 432.597 4.555 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1c(F)cccc1F 1740949627 NJHGODMFHRWQKN-IBGZPJMESA-N 447.530 4.841 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCCCC2)C1 1740972581 KBEAIYSLJCYUOA-PGRDOPGGSA-N 428.552 4.919 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC2CCCCCC2)CCS1 1745000081 DALUZMNPEHWEMY-QFIPXVFZSA-N 439.629 4.888 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1CC 1748837973 UCANXPWECFGFOQ-MSOLQXFVSA-N 425.374 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1ccco1 1749121333 MFUMVUBNZFNTJE-BLIXFSHQSA-N 437.500 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(CC)CC(C)C 1749135315 DMQYLDMUZLTRFJ-XUZZJYLKSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1CCCCO1 1749158121 CPUWAPFQGOEASR-SIKLNZKXSA-N 426.561 4.542 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCCc1c[nH]c2ccccc12 1749166117 WVMHQQRUPREFEV-UHFFFAOYSA-N 431.588 4.656 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC[C@H](C2CCC2)C1 1749181741 CLRZPHLQNQMQEU-OAHLLOKOSA-N 437.407 4.598 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1749335842 WHNXYFAVDXCLBS-LJQANCHMSA-N 443.567 4.647 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749357055 ICRIXYVEKWRSNR-IBGZPJMESA-N 437.632 4.937 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1749366233 AHLFMDAXJDRFMC-FCHUYYIVSA-N 440.588 4.709 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1749384600 DQIHVCCOLLTKMI-QFIPXVFZSA-N 437.632 4.578 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(CN(C)C)c1 1760104263 VPUIHLSXLMGSIB-IBGZPJMESA-N 447.652 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@H]1C(C)C 1760298972 BVDUGTHBWRZSRK-YTMMVNBISA-N 442.648 4.640 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H](C)c1ccco1 1760311857 CBIKSHUMMDKLFJ-INIZCTEOSA-N 431.334 4.865 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1760317431 FZTMSHCTPKQXBB-FYYLOGMGSA-N 449.599 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCC1CC1 1760328121 QSVKIFAQOVROGW-DXBBTUNJSA-N 430.637 4.804 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 1760368558 GLLMXMURINHXGR-RYUDHWBXSA-N 446.176 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760408377 ALCICYFPGYKOFL-LJQANCHMSA-N 427.549 4.707 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)C[C@@H]1CC)c1ccccc1 1760416362 BGXUCVCQZSOMCF-NNWRFLSQSA-N 444.583 4.910 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](OC)C1 1760423699 JECDJEQIHSNISQ-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)s1 1760437946 SZVSBNSEZXHDCH-UHFFFAOYSA-N 448.596 4.647 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]2CCC[C@@H]21 1760447208 JMOLRNMKOMIPDE-ZVDOUQERSA-N 428.552 4.919 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCSC1 1760499294 UHNCKQFHEDUXHW-FGZHOGPDSA-N 426.630 4.550 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1CC1(O)CCCCC1 1760501091 GLUCIAFEOTULQO-UHFFFAOYSA-N 434.584 4.701 30 10 IJEE CC(C)COc1cccc(Cn2c(CC3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1761140473 APWWNFFCPVHFNO-XMMPIXPASA-N 425.552 4.536 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)C1 1761544405 CPCRDWOSBDCSIF-RPWUZVMVSA-N 442.007 4.702 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(OC(C)(C)C)nc2)cc1 1764438509 FESJLOAYUCCHON-GOSISDBHSA-N 432.572 4.866 30 10 IJEE CC[C@H](C)n1c(O)c(N=Nc2ccc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O 1772740932 NJQBNWHOHWQPQM-VIFPVBQESA-N 434.250 4.791 30 10 IJEE CCCCCCCCn1cc(O[C@@H](C)C(=O)Nc2cc(C)ccc2C)c(=O)cc1C(=O)O 1857890346 SJYWWAOGVSKYEO-IBGZPJMESA-N 442.556 4.930 30 10 IJEE CC(C)c1ccccc1NC(=O)COc1cccnc1NC(=O)Nc1ccccc1C#N 1858829055 ICCKXIIBJYAYAA-UHFFFAOYSA-N 429.480 4.738 30 10 IJEE C[C@@H]1CN(C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)C[C@@H](C)O1 1858955117 WMNDVRDKINKLFY-IAGOWNOFSA-N 429.476 4.572 30 10 IJEE CCCOc1ccc(/C=N/NC(=S)NCc2cccc(C(F)(F)F)c2)cc1OCC 1860499034 BCFQIOGAMNALLP-VULFUBBASA-N 439.503 4.891 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 1862379435 BQPQPYIUDCHBNT-LJQANCHMSA-N 434.319 4.997 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cc(Br)ccc1F 1862453828 IWMAHBCZSMIXEA-INIZCTEOSA-N 438.680 4.840 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1 1862476285 HSNKYFVCVCXTOS-OAQYLSRUSA-N 435.911 4.514 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862476911 QFXYZDFEPDSKQL-XMMPIXPASA-N 443.499 4.661 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497717 RCUIQLYQWWTCHO-LJQANCHMSA-N 426.856 4.629 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(O)cc2)cc1 1862531687 AWJHVTGVSDVYGZ-DEOSSOPVSA-N 443.499 4.742 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862614999 GSOOFROMOPWBCY-GMAHTHKFSA-N 449.547 4.750 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cccc3ccccc23)cc1 1862666960 PCOOOEIXKOJSED-DEOSSOPVSA-N 429.516 4.924 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 1862675317 HQIZYLPBTOSRQZ-QFIPXVFZSA-N 439.483 4.928 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(C)c1 1862698614 KUGIMPRYYFYCRS-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862709841 GKVVTJWSBHJBOF-HXPMCKFVSA-N 444.871 4.634 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862759616 VUUDXRKOBVZKDC-SFHVURJKSA-N 448.397 4.848 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc4c(O)cccc34)=C(c3cccs3)C2=O)cc1 1863110432 OMBQPFFSJMVUPP-UHFFFAOYSA-N 437.480 4.875 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CCCOCC)C1=O 1863571477 LFOYONOQGAMXMZ-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(Cl)cc1 1864096001 XOQNYBZWKBEGKK-LJQANCHMSA-N 430.980 4.553 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN(C)C 1870498312 IPLKWEXCAHLTPE-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870677225 SRFNJTRUUNRAIC-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc(C)c(F)c2)cc1=O 1870812867 MIBSJCZUSSNMEK-QHCPKHFHSA-N 442.918 4.860 30 10 IJEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1871008698 JJBZRNVLTJBSEK-UHFFFAOYSA-N 433.552 4.630 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871365578 YPHLSLODHAWAFR-CFRMEGHHSA-N 442.471 4.546 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)c1 1871416144 NZRIILJWPUFCRH-QRVIBDJDSA-N 446.455 4.686 30 10 IJEE CCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871677221 LSFNJLSZMXIZKA-UHFFFAOYSA-N 447.027 4.884 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871873810 KANLGMPHTIENPU-VGOFRKELSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1cccs1 1872423757 WXDLWEHLDMGTGS-SFHVURJKSA-N 426.991 4.550 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872499598 PXDGWIQPABGRGJ-NRFANRHFSA-N 434.989 4.859 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(c2cccnc2)C1=O 1873268862 JGPLKVRNHVEQNK-UHFFFAOYSA-N 437.540 4.651 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(O)c1 1874218000 PEPPGMWPWHUPSM-FSJBWODESA-N 428.945 4.993 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874303526 CXOHKLFSCONKKO-ZVHZXABRSA-N 438.553 4.532 30 10 IJEE CCSc1nnc(CCOC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874470409 CWKPRRIHQHXIHH-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874505289 FGDKIPVAPZQOBI-YSURURNPSA-N 429.908 4.873 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(Cl)cc1 1874506900 BDRICLMWMGJBGX-WSDLNYQXSA-N 432.933 4.828 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CC)nnc1SCc1ccc([N+](=O)[O-])cc1 1874525109 WQAAPWGJYKQISJ-HYARGMPZSA-N 425.514 4.712 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1874727726 YXCYYQQHHCLGLS-UHFFFAOYSA-N 427.342 4.948 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1875145260 ISBDRQZMHQFESQ-BQYQJAHWSA-N 433.298 4.986 30 10 IJEE Cc1cc(C[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1C#N 1951961116 FRYYZLCJHNGPFX-HHHXNRCGSA-N 440.499 4.791 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1997233354 KMNJFHBQHQZNKX-KKSFZXQISA-N 436.557 4.853 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2CCN(C(=O)OC(C)(C)C)CC2)c1 2032400867 RGOQXCPBKRYKOQ-FQEVSTJZSA-N 445.560 4.976 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NC 2041203531 XVMGPBDXBSCNEH-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NC 2047967721 LNAAISWZJCRXNO-DLBZAZTESA-N 429.786 4.540 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCCCC1 2060819275 AEXOEDLPRFOCTK-TZIWHRDSSA-N 443.588 4.608 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079979275 NFXQRQVTSLLQOF-QGZVFWFLSA-N 449.336 4.973 30 10 IJEE CCCN[C@H](CC#CC1CC1)c1ccc(I)c(Br)c1 2090188265 SPKUXHGXGHNLNO-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(Br)cc1F 2102885237 KTESSTUDOHLXQL-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE C=C(COC(C)C)[C@H](NCC)c1ccc(Br)cc1I 2142276834 IOEUBJLBQMPUSV-HNNXBMFYSA-N 438.147 4.686 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 2159124137 GIAZCKHSBGXDMZ-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(Cc1ccc(Br)cc1C#N)C1CC1 2174558956 FMNZBFSMMSZSDS-IBGZPJMESA-N 434.378 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)c(Br)c2F)C2(CCC2)C1 2174818875 FKXODUABUFOJSG-AWEZNQCLSA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3cc(Br)cc(F)c3C#N)C(C)(C)[C@@H]21 2175901833 RILWPDBXTKXCLD-CSMYWGQOSA-N 438.341 4.906 30 10 IJEE CC1CCC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(C#N)c2)CC1 2194362809 SXBOGJCNRDGIJQ-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE C#CC[C@H](CN(C)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)C1CC1 2196767029 TUZZNABKBQGRAZ-OAHLLOKOSA-N 435.362 4.918 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2219967436 HJPPIGPJXNMYQN-RBBKRZOGSA-N 441.446 4.863 30 10 IJEE C[C@H](Nc1ncccc1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2232282410 PGURQSSMGHEPKD-INIZCTEOSA-N 439.365 4.901 30 10 IJEE C#CC1(CNC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 2243924979 OSTLDAQFGBYFCR-RUZDIDTESA-N 444.575 4.860 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2296219308 MRVZMTZSINTNPI-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2296289117 OEKMFUZAPAKXBE-FQEVSTJZSA-N 429.358 4.786 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296304993 NPAWFPZVZIENQC-LNKGRISISA-N 435.406 4.670 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1 2296871321 NKQRCPWAUJRMMD-UHFFFAOYSA-N 440.448 4.608 30 10 IJEE O=C1Nc2ccccc2C1=C1SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 2314540182 KQPSDODJZUKZOV-UHFFFAOYSA-N 432.892 4.866 30 10 IJEE CCCCOc1ccc(C=NNc2cnn(-c3ccccc3)c(=O)c2Br)cc1 2322638181 LYOLRTJCYRWGOP-UHFFFAOYSA-N 441.329 4.620 30 10 IJEE COc1cccc(C=C2Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)c1OC 2324054901 GAZXWKRZHYMZKP-HOTGVXAUSA-N 437.536 4.812 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2325565362 ISYPINAGQDSYJX-UHFFFAOYSA-N 446.960 4.781 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1O 2325576376 JFLVSIUPRWNIJE-UHFFFAOYSA-N 431.359 4.792 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2cc(OC)ccc2OC)c(Br)cc1OC 2325744120 FUWFAPDDMQSLDN-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1c[nH]c2ccccc12 2327476045 GULZNIJFUKHLQF-UHFFFAOYSA-N 425.464 4.777 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2327849742 FJRUVGRELPLEPI-KRWDZBQOSA-N 427.618 4.684 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc(OC)c1O 2328557023 HEOSOHMQOSRXHT-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE Oc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCCc2ccccc2)cc1 2329200520 YJCOTCRUUXJJBA-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330173013 ZWNCWOIGNHNKRU-UHFFFAOYSA-N 444.560 4.957 30 10 IJEE COc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)c1O 2330194009 BJTXBQWLCVOELB-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)c1 2330799775 AMSGHAZEBZYDTB-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2[C@@H]2CCCO2)c1 2330893030 HJAPBSJFWAVMJI-NRFANRHFSA-N 449.580 4.668 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccncc1 2330896024 ZNCKYHIQLJNJOO-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)CCCSC)c([N+](=O)[O-])c1 2331362363 ALYOOYQUSHYMKD-UHFFFAOYSA-N 429.494 4.857 30 10 IJEE COc1ccccc1C(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(F)cc2)cc1OC 2331519638 KDXJFOUOYUECSL-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)C)cc(OC)c1OC 2331690145 PNKFCSVHIZUGNJ-UHFFFAOYSA-N 440.569 4.910 30 10 IJEE CCSc1nnc(C(C)C)n1N=Cc1cc(Br)cc(Br)c1O 2331691767 JWNQMOXWMYZTJG-UHFFFAOYSA-N 448.184 4.626 30 10 IJEE CC1(C)C[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@@H]1OCc1ccccc1 2339307332 CKBMQGOSUIBMKO-PKTZIBPZSA-N 432.373 4.653 30 10 IJEE C[C@@H]1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339536710 MLFMCVFSNHMANV-GOSISDBHSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339546785 KPKFBEKJZUGALS-QZTJIDSGSA-N 443.397 4.830 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339606357 PQMYHHXZJZEAKK-HHNLSAEISA-N 443.397 4.608 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CCC[C@@H]2N1c1cc(Br)cc(F)c1C#N 2355478059 BXIKIPSJTSRISL-QEORTHHSSA-N 438.341 4.732 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CCc1ccc(OC)cc1Br)NCC 2364848473 HQIPHFJKKOWENP-MOPGFXCFSA-N 441.410 4.838 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=O)Nc2cccc(Cl)c2)NC2Cc3ccccc3C2)n1 14159531 ORCYMBNQNPUFAA-UHFFFAOYSA-N 434.931 4.504 30 10 IJEE COc1ccc(N/C(=N\C(=O)c2cccc(C)c2)N2CCN(C3CCCCC3)CC2)cc1 15729051 WQWYYLGWWQHCFC-UHFFFAOYSA-N 434.584 4.562 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1 34943150 RBBWAURPJZBWIK-XMMPIXPASA-N 434.580 4.957 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)CC 36117118 KPMXTDSZPCZFIW-JOCHJYFZSA-N 440.609 4.801 30 10 IJEE Cc1cc(O)c(CN2CCN(Cc3ccccc3)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2 41584847 UZSKFMMGLVJKJT-UQQQWYQISA-N 440.543 4.635 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc(Cl)cc4)nc32)cc1 44441649 YUZJLXKLLHVOBB-QGZVFWFLSA-N 436.924 4.979 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1cccs1 59038714 MJVNCCGCKKRUMY-ZVBGSRNCSA-N 441.369 4.740 30 10 IJEE C=CCOc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1 64656810 ZWJDVZHGTUFOSA-IBGZPJMESA-N 439.558 4.928 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 102710113 UZSBBXWOGWIEFH-LCPUNJGISA-N 438.867 4.661 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 102711434 XFHWSIIVVATRSO-VFJWVMJUSA-N 446.503 4.915 30 10 IJEE COc1cc(/C=N\Nc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169900017 ATRWWLRLDBZZAG-CFRMEGHHSA-N 431.452 4.813 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1c(Cl)ccc(Cl)c1Cl 169905115 BAVPSLYEGMJCSS-FBCYGCLPSA-N 428.124 4.621 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)cc2)c(C)c1 169961949 WCHIOMRMUIQANX-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccc(O)cc2)cc1 169963078 NGLKSENBMLYTMT-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)[C@H]3c3ccccc3)nc2c1 170056167 DOYAKMWGTAIQPO-XMMPIXPASA-N 437.499 4.973 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1 170066114 QNKKOJIDWSWEHA-HSZRJFAPSA-N 437.536 4.822 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(C(C)C)cc1 170066306 QUOJFDPQXPWMCV-XXBNENTESA-N 435.520 4.576 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2F)c1 170069158 WCLWSTKHGRDYFW-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccccc1F 170071446 NDURWEMYCUSSCT-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccco2)cc1OC 170091801 CUYIWRYHPXOIEG-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCCC2)cc1 170114898 IWRHSXMOGBGDIE-FYSMJZIKSA-N 447.531 4.930 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccccc1OC 170125180 XULNITXCUVWSFV-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)c1 170144549 OKUORXBMZRYDOP-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170193977 LNVSUNXOWBSWNR-OAQYLSRUSA-N 445.862 4.655 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccccc1C 170272842 RPQLKBIAUYGMDT-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299512 QWXBGRLHPZCMIM-QGZVFWFLSA-N 430.432 4.722 30 10 IJEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170348915 AARFIJONMVVWGZ-QHCPKHFHSA-N 439.471 4.523 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)c1OC 170412198 WSKSBEXSDQNFJI-OAQYLSRUSA-N 449.528 4.852 30 10 IJEE N#CCCn1cc(/C=C\C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c2ccccc21 210346320 JDCPYAXQAAWIGB-QXMHVHEDSA-N 441.535 4.512 30 10 IJEE COc1cccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1O 254404606 WDHGULFSYYLURM-UHFFFAOYSA-N 427.468 4.519 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC 476127537 BBVPHQAAJJICNI-UHFFFAOYSA-N 444.597 4.830 30 10 IJEE C=CCn1c(-c2ccc(C)o2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508682679 NQUXPCPMYGLCAR-HXUWFJFHSA-N 437.931 4.638 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508858327 RMEXRFIFAVDDCJ-INIZCTEOSA-N 431.512 4.881 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1OC 526487587 CIAYHFOPRBYXDY-XMMPIXPASA-N 441.487 4.808 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)c(OC)c2)c1 526517500 TVDYMDXNKASJNX-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1cccc(C)c1 526830400 IFQIADKUGCQDCR-UCQKPKSFSA-N 426.542 4.873 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 554630729 BVMDVHXYDLHPRB-INIZCTEOSA-N 448.354 4.838 30 10 IJEE CCCCCCCCC[S@@](=O)CC(=O)NCCc1ccc(OCC)c(OCC)c1 586301032 RITOGDKAQLTRGL-GDLZYMKVSA-N 425.635 4.642 30 10 IJEE C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ccc(C#N)cc1F 609229577 ZODDRKRDZWPCJL-ZDUSSCGKSA-N 429.904 4.944 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 670209838 QCEBCEBOCBVZIL-UHFFFAOYSA-N 430.552 4.558 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 685539670 ZFBACFCDMVLCDW-FXAWDEMLSA-N 440.979 4.949 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686828345 DXGWSVAZOJGGKB-QHCPKHFHSA-N 441.660 4.964 30 10 IJEE C=C(COCCC)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693641095 UTPPTPNRAXGRQV-BVAGGSTKSA-N 445.648 4.507 30 10 IJEE Cn1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c1Cl 712470788 XXSBSICYQPRILD-AWEZNQCLSA-N 425.714 4.842 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 767179118 NEGXYCCQSTTYQP-WOJGMQOQSA-N 449.547 4.863 30 10 IJEE N#Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)cc1 769959921 FISYSGMXUAKMEA-QFIPXVFZSA-N 437.446 4.927 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCCN(c3ccccc3F)CC2)c1=S 795727765 KLDYVTSZSCUCLI-UHFFFAOYSA-N 429.590 4.637 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C)c1ccc(F)cc1 812749731 BUEZHYJODLPFQE-GOSISDBHSA-N 430.405 4.653 30 10 IJEE CC(=NNc1ccc(C(=O)O)cn1)c1sc(-c2ccc(Br)cc2)nc1C 814890571 SINAGTLEYORJPJ-UHFFFAOYSA-N 431.315 4.810 30 10 IJEE COC(=O)CON=C(C)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 1088718456 UIFNWVTVKRWICH-UHFFFAOYSA-N 446.765 4.973 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1c1cccc(F)c1 1126012426 DZXHQMMLRMJGNR-LADGPHEKSA-N 429.451 4.648 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C(C)(C)C1 1126164894 DUAATMIIJKMHBZ-UHFFFAOYSA-N 449.551 4.609 30 10 IJEE O=C(OCc1ccc(OC(F)F)c(F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 1129314559 BATJKRYSEDIPFY-UHFFFAOYSA-N 449.282 4.523 30 10 IJEE C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1160210052 CFLQDOSNXDDJBZ-CYFREDJKSA-N 428.573 4.998 30 10 IJEE C=CCn1c(SCCOc2cccc(OC)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164428033 ABJIUCYZYGMIQR-OAHLLOKOSA-N 442.606 4.949 30 10 IJEE N#Cc1c(F)cccc1S(=O)(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 1187929725 FXNRBTMTIRNKMG-NRFANRHFSA-N 426.900 4.839 30 10 IJEE COc1ccccc1-c1ccc(CN(CCS(=O)(=O)c2ccc(C#N)cc2)C(C)C)cc1 1191339204 DQAWRAFGSWPQTC-UHFFFAOYSA-N 448.588 4.918 30 10 IJEE CC(C)CN(C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccc(C#N)cc1 1191837956 HEJOSSXCJXYNOU-QFIPXVFZSA-N 427.589 4.827 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCCN3CC3CCCCC3)cn2)c1 1198032873 AYTVNNALGPPMOH-JOCHJYFZSA-N 433.556 4.912 30 10 IJEE C#CCOc1ccccc1NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1203533793 RQMKXCONVFXQJX-UHFFFAOYSA-N 427.548 4.865 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)c(Cl)c1 1209898053 LEYQSCGAYXJMPN-QGZVFWFLSA-N 440.805 4.646 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 1215284331 FVABPWNHPBCJRT-LJQANCHMSA-N 447.560 4.898 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)cc1Oc1ccc(C)cc1)[C@@H]1CCCO1 1219570779 WQEHXRWXFGYHNV-MJGOQNOKSA-N 429.314 4.852 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)c1ccc(Cl)cc1F 1227018623 YTLHGOLZPMKVRQ-VXKWHMMOSA-N 427.951 4.753 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccc(Br)cc1 1230498964 OIKWFUIHNDLPRJ-AZUAARDMSA-N 431.305 4.516 30 10 IJEE C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1265032637 BDUIEULXADEHFV-OAQYLSRUSA-N 440.543 4.986 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286323592 KCZIGMOQWJRNAV-SFHVURJKSA-N 441.988 4.745 30 10 IJEE C#CCCCCn1c(N2CCc3cc(C)ccc32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286333816 BWTVGAYVHINHRI-OYRHEFFESA-N 449.599 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@@H](F)C1 1286439425 WEKGHEGNGCVINR-DZGCQCFKSA-N 439.760 4.959 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@@H](F)C1 1286439427 WEKGHEGNGCVINR-UKRRQHHQSA-N 439.760 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC=C 1286517751 YMKPTCKHWBDQPY-OAQYLSRUSA-N 429.362 4.675 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccsc1 1286549701 GMYXIAAVHWUQJI-IEBWSBKVSA-N 429.977 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC2(CCC2)C1 1286665670 BHYBOPUAZZIGHP-UHFFFAOYSA-N 437.588 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(C)o1 1286665950 GSDKVWXTJHXRKP-SFHVURJKSA-N 434.544 4.771 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccco1)c1ccccc1 1286677512 CPZWCCBJLYQYMV-FPOVZHCZSA-N 433.556 4.664 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccncc1 1286743558 LDZWZLJSUNPMIP-UHFFFAOYSA-N 430.943 4.824 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2ccccc2C(C)C)C1 1286801482 CESSSYDUORYWTI-HXUWFJFHSA-N 436.556 4.830 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H]1CCSC1 1286826344 FIPPFOCREBZXLG-DOTOQJQBSA-N 434.700 4.992 30 10 IJEE Cc1ccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)cc1 1289758691 FDZCSDKNARKMSV-HXUWFJFHSA-N 430.556 4.555 30 10 IJEE N#Cc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)c1 1290034502 FTIRXBJPOOBRSP-UHFFFAOYSA-N 436.265 4.531 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccc(Br)cc1 1298539199 QMMNWINSTXVUNI-SFHVURJKSA-N 439.334 4.867 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCC1(COC)CCCC1 1300324878 OAXNGIKNPHSKBN-HXUWFJFHSA-N 426.630 4.934 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CC=C(C(F)(F)F)CC1 1300372208 BWTWTPAEJGVDPJ-UHFFFAOYSA-N 432.490 4.922 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCN(C)C1CCCCC1 1300648309 CFFIWROUTLUOKO-UHFFFAOYSA-N 439.623 4.910 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@H](C)[C@@H]1C 1300742805 AHPGGHKQSYIKSW-YESZJQIVSA-N 446.711 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCc1csc(C(C)(C)C)n1 1300798235 LCZOFHVUMFLDMF-RUZDIDTESA-N 449.624 4.943 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H]1CCCO[C@H]1C(C)C 1300813234 DVELEXOXZHHOEZ-NRRYGQPISA-N 434.628 4.897 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)COC)CC1 1301113721 CXPOBBOCDBACAC-AWEZNQCLSA-N 437.357 4.532 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC2CC2)CC1 1301134974 PPOVPSPUSJMSBW-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCCN(CC)C(=O)C1 1301159161 WSDSYWNXHADJHP-UHFFFAOYSA-N 441.645 4.540 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1301170386 TZMDPJIWMIKUJM-QUCCMNQESA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301195113 UVBUEFIWPTYOLI-QFIPXVFZSA-N 448.615 4.948 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H](OC)c1ccccc1 1301360020 ULMADGMJFFNBQA-JOCHJYFZSA-N 433.581 4.925 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(F)cccc1SC 1301393649 DELFOVZTKNKVBR-UHFFFAOYSA-N 448.571 4.604 30 10 IJEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1301463077 MABSLHHMMXGKTO-INIZCTEOSA-N 428.631 4.784 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 1310458175 BLJHRKUKELPZOD-FQEVSTJZSA-N 425.414 4.962 30 10 IJEE CC(C)n1cc(C2=CCCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)nn1 1310830614 AUYYKCOMSBOQSL-UHFFFAOYSA-N 443.511 4.629 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCc2ccccc21 1311813795 UHUIYQOMTYPYBD-NWSQWKLXSA-N 439.600 4.744 30 10 IJEE C=CCCSCCNC(=O)N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21 1312974366 PPFXIEMRSHGSGU-INIZCTEOSA-N 425.392 4.804 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nnn(Cc3ccc(F)cc3)c2CC)c1 1352430336 QJDBTNJWYLQXSJ-UHFFFAOYSA-N 444.535 4.918 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1C 1353479909 GDXJRHGWMMVYQT-UHFFFAOYSA-N 433.483 4.974 30 10 IJEE Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cc(C#N)ccc3F)cc2Cl)n1 1355958409 GLPHIMUAFGPEEP-AWEZNQCLSA-N 439.878 4.616 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCc1csc(C(C)C)n1 1358992073 YTYTVLGJXOZWHB-UHFFFAOYSA-N 442.592 4.712 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(F)F)C1 1359087003 PPTGBBSCIJYLDQ-KRWDZBQOSA-N 439.348 4.844 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H]1CCc2ccccc21 1359107617 QNLLRVOUQMMICZ-NVQXNPDNSA-N 438.616 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1ccccc1Cl 1359115542 DBNBSCIRKMEGBQ-UHFFFAOYSA-N 444.004 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCC[C@H](COC)C1 1359119478 WAEQDKYYABBMFM-FQEVSTJZSA-N 436.556 4.946 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359145256 KNGRBJBBNHBVHO-CXAGYDPISA-N 439.785 4.630 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1359185321 SFJSUTAOMYWWOA-QZTJIDSGSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCO[C@H]1C(C)C 1359234750 ZIISGHVKQCAERX-YOEHRIQHSA-N 439.423 4.843 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C 1359263356 ZETBGDMNPQKLOS-NRFANRHFSA-N 436.629 4.715 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCSC(C)(C)C1)C(C)C 1359265977 QCMUIHIGSLIIRL-JOCHJYFZSA-N 439.673 4.976 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CC1CC1)c1cccnc1 1359658560 DJNGLGPHPCGCQO-DEOSSOPVSA-N 439.567 4.782 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CN(C(=O)OC(C)(C)C)C(C)C 1434994849 FURBYAJAEIITQB-UHFFFAOYSA-N 443.357 4.748 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 1435118652 IGDGKQGIIHVUAY-UHFFFAOYSA-N 444.447 4.787 30 10 IJEE COc1ccccc1-c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c(O)n1 1435810757 UETFVAVDHAQKNH-SFHVURJKSA-N 428.275 4.764 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)[C@H](c2ccccc2Cl)C1 1436028123 DAJJAAXYIPEFJO-NRFANRHFSA-N 439.943 4.575 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)c(C#N)c2[C@@H]1C 1436545904 GSCPNGAKVTZKJG-IIAWOOMASA-N 441.984 4.946 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)c1ccccc1 1438922309 PRNKXLRJTXVDPT-SGNDLWITSA-N 436.552 4.626 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1 1456447624 HELYFXRRUMMUEW-UHFFFAOYSA-N 439.490 4.929 30 10 IJEE C=CCCCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1456849100 WXELSHVTILAXED-UHFFFAOYSA-N 440.487 4.935 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2c(Br)cccc2C#N)cc1 1458047204 CQFQKNWPFMLOQA-CQSZACIVSA-N 436.375 4.524 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)CCCN1C(=O)OC(C)(C)C 1458281254 ZYBFLCBYDFZIEG-VWLOTQADSA-N 441.572 4.660 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 1461987073 MWGIGTFCXSIERH-UHFFFAOYSA-N 435.568 4.898 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1OC 1462554477 HGNIGWSHRPABDN-CVDCTZTESA-N 436.980 4.935 30 10 IJEE C=CCOc1ccc(C(=O)N(CC)CCOc2ccc(Br)cc2)cc1OC 1465473326 CQPZCOYNBDSAIJ-UHFFFAOYSA-N 434.330 4.564 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1478806657 LXJXHXHCPXWIMS-FYKMYLNBSA-N 427.589 4.650 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](CC)C(=O)OC(C)(C)C 1479386905 POCGKCNORPFOEE-CQSZACIVSA-N 443.357 4.654 30 10 IJEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1504479826 BICQXVIZBMIXCT-GBESFXJTSA-N 433.478 4.726 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1505173939 CHKFOBQCJVADTO-AWEZNQCLSA-N 448.017 4.832 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCCc1ccccc1 1507680501 DEEJZMNTIQMKIF-UHFFFAOYSA-N 440.389 4.529 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H](C)CC#N 1507790352 GMHLDYWFNHAKEM-KRWDZBQOSA-N 446.393 4.936 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)CN1CCCC1 1507814925 FMZVUFOTJIVCEJ-FQEVSTJZSA-N 434.588 4.734 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC(C)(C)C1 1507841582 YBQFVYKGENOPMY-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1507932467 UFUKJMDDEQUEHU-SFHVURJKSA-N 429.996 4.696 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1507946931 SRXDPXROADVECG-HXUWFJFHSA-N 439.604 4.961 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCc2cc(Cl)ccc2C1 1507965355 MJVKRWAHVRMZDF-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC1(N(C)C)CCCC1 1508005045 NJZAJUUOYGMHOO-UHFFFAOYSA-N 434.563 4.546 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1508157827 BWGFJCTUUXJXHP-UHFFFAOYSA-N 439.629 4.710 30 10 IJEE C=CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1516156543 QBUWVMZPCPKUOB-LJQANCHMSA-N 438.549 4.823 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CCCCC1 1517947481 GMKKKVQMUIHZHF-WOJBJXKFSA-N 437.588 4.560 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CCCN1C(=O)OC(C)(C)C 1519339385 ZTFOBMRUYWUYIN-VWLOTQADSA-N 436.556 4.529 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1521289367 GDEBEUCBKBNFII-FQEVSTJZSA-N 428.863 4.673 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)OCc3ccc(Cl)cc3-n3cncn3)c2)cc1 1525118713 HSHRCLZTHOFDQD-UHFFFAOYSA-N 430.851 4.942 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2C)ccc1Cl 1528830781 GMRZOBNSRIRKHD-OXQOHEQNSA-N 432.973 4.640 30 10 IJEE C=C1CCC(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CC1 1534007852 BQRANEVSSPUQDB-UHFFFAOYSA-N 425.554 4.714 30 10 IJEE C=CCOc1cccc(NC(=O)Cc2ccc(Br)c(Br)c2)c1 1534959070 GQVOTASTGAMLAX-UHFFFAOYSA-N 425.120 4.958 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1536324070 OYWHORREDZOISV-XMMPIXPASA-N 447.579 4.861 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 1537628196 PXKMGASTZZOPGE-UHFFFAOYSA-N 446.326 4.642 30 10 IJEE C=CCCOCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1537760879 OPCVYULWAZEJNC-UHFFFAOYSA-N 444.510 4.608 30 10 IJEE C#CCN(C(=O)c1cc2ccccc2nc1C)[C@H]1CCOc2ccc(Br)cc21 1538198046 DWUSKFPCOHMQIM-NRFANRHFSA-N 435.321 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC)c1ccccc1 1538971564 BYMPGHRBRVFOJJ-JKSUJKDBSA-N 426.362 4.687 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539052490 DUDFINRDHKRYDM-VAMGGRTRSA-N 431.625 4.725 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1 1539086093 XLQJRPFNWFQTBL-NRFANRHFSA-N 437.588 4.790 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1539097103 BUVUYQDXHAMKTA-UHFFFAOYSA-N 436.600 4.931 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC(F)(F)C1 1539158817 MBUXTWQXNJNFBA-GFCCVEGCSA-N 443.723 4.866 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCCCN1CCCC[C@@H]1C 1539562891 DQBCTUDYIKSVSY-WNCULLNHSA-N 449.643 4.546 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(OC(C)C)c1 1539585981 DGQHWZKCCNZLAU-UHFFFAOYSA-N 442.361 4.672 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539623677 NOMQVMPCLYHQTH-GFIVTLFCSA-N 438.469 4.700 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=CCC1 1539643213 LMPMICKLFSYEFN-YKSBVNFPSA-N 436.600 4.902 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](OC)C1 1539728391 BJCKFZHSFCUTNC-ICSRJNTNSA-N 448.995 4.506 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1539859065 IUFILMCIXBWOHE-OALUTQOASA-N 442.629 4.939 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1539894409 GQPZPBUSLGPGHB-WIOPSUGQSA-N 438.616 4.535 30 10 IJEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1539971531 JKCAUBMHGQKMAD-OXQOHEQNSA-N 447.505 4.863 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)C(=O)OC(C)(C)C 1540009705 HHQBZVJPFCTHPE-QHCPKHFHSA-N 438.593 4.703 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1 1540127483 FNUQYMYQOUADKB-HSZRJFAPSA-N 444.608 4.614 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C)CCOCC1 1540139913 HSRCDJOOTNQPDC-UHFFFAOYSA-N 433.581 4.888 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1540913874 WFUOGUVDQJHDJQ-HXUWFJFHSA-N 427.643 4.923 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](CC)NC(=O)OC(C)(C)C)cc1 1546163207 HVFVJVMXIZKKRA-XLIONFOSSA-N 440.592 4.549 30 10 IJEE COc1cc(Cn2c(C3CCC3)nnc2N(CCC#N)CCC(C)C)c2ccccc2n1 1554758009 BJVDSZCIXQAOPQ-UHFFFAOYSA-N 432.572 4.917 30 10 IJEE COc1ccc(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1554884494 DDUNXTCKCMGZSM-AFMDSPMNSA-N 444.583 4.666 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1557475715 TXFPCBAWVURJFS-MBSDFSHPSA-N 442.581 4.751 30 10 IJEE Cc1c(Cl)cccc1N1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1559832893 DIADOMLEIFUZCU-INIZCTEOSA-N 443.016 4.610 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](CC)Oc2c(Cl)cccc21 1567514758 JULMAOBTNFDVLD-UKRRQHHQSA-N 429.344 4.880 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O 1567637465 SVUYFEVUHIOBHA-UHFFFAOYSA-N 438.402 4.653 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CCCN1C(=O)OC(C)(C)C 1585015183 HAUBWURDLORSFQ-FQEVSTJZSA-N 427.328 4.734 30 10 IJEE C=CCN(C(=O)c1cc(CC)nc2onc(C(C)C)c12)[C@@H](Cc1ccccc1)C(=O)OCC 1585016612 XGHONYNWNZTYBA-NRFANRHFSA-N 449.551 4.711 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCCO[C@H]2CC(C)C)nnc1-c1ccc(Cl)cc1 1585715096 NGXRBQPTPCVQEG-OALUTQOASA-N 449.020 4.587 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCC1CCC(OC)CC1 1587679124 XTWHEBOQCLBICS-HDYDNRTBSA-N 442.629 4.632 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](OCC=C)C1 1587808448 RQHPFCOLIOEBQO-TZIWHRDSSA-N 442.991 4.883 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCCC2)C1 1587809059 YIMAZRWACQSUOB-GOSISDBHSA-N 428.964 4.634 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(CC)s1 1588275933 CWGGTYRGPQCXMF-UHFFFAOYSA-N 429.387 4.839 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C2CC2)CCC1 1588293327 WUGOYEMNKRVQSY-UHFFFAOYSA-N 443.389 4.756 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C1CCCCC1 1589047858 LKLVJAXUFFNTOX-UHFFFAOYSA-N 434.613 4.656 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCSC(C)(C)C1 1589434381 FIXWKPVSWOPFPO-UHFFFAOYSA-N 435.435 4.694 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CCC(F)(F)F 1589569925 SDRGXCQLAJZHHE-XLIONFOSSA-N 438.494 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1ccc(C#N)o1 1589625448 GECMGQXDJXFMKM-UHFFFAOYSA-N 426.318 4.623 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1594202394 ODIIJLIKLJWQJH-MJGOQNOKSA-N 432.515 4.500 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1C(C)(C)C)c1ccccc1 1594553177 XOGHSTCENURLJZ-QFIPXVFZSA-N 448.615 4.554 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1594766694 BELACWVBPHBOEQ-UHFFFAOYSA-N 427.911 4.574 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1C1CCCCC1 1594857992 VMRRDMJTHQPXCZ-SIKLNZKXSA-N 441.595 4.977 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1nc(C(C)C)cs1 1595116650 UGWQXJIGKRGKCF-FQEVSTJZSA-N 437.613 4.993 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC2(CC2)C1)C(C)C 1595165949 NPFVNTJDOOWGIB-XMMPIXPASA-N 444.627 4.896 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCOC1 1595234610 VWGCWTSAKVYQRD-HXUWFJFHSA-N 437.975 4.655 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 1595477349 XXKSSGFKSZRNAG-IEBWSBKVSA-N 427.545 4.783 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2c[nH]c3cc(F)ccc23)C1 1595728319 AXRHDVKZFZEGOL-LJQANCHMSA-N 425.552 4.511 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCCCC2)C1 1595744254 LCAAZFOCBYIDDV-OAQYLSRUSA-N 430.980 4.872 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1nc2ccccc2s1)C1CC1 1596641249 RVNHNUORGFPXBP-INIZCTEOSA-N 435.977 4.823 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Cc2ccccc2)CC1 1596848670 BCPUDMUDRFRNMH-CEMLEFRQSA-N 435.616 4.815 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1618808236 XRVQDGDOIVFGGP-UFYCRDLUSA-N 436.980 4.615 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](OCC4CC4)C3)n2CCCC(F)(F)F)c1 1620348800 HHJXGBOLATVICL-LJQANCHMSA-N 433.478 4.555 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1OC 1623602994 ROZBZDPHRQEAMN-YLQXFRFJSA-N 440.971 4.880 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCO[C@@H]1CCCc2ccccc21 1629298105 FRVMUEHHTBFHKK-VQTJNVASSA-N 436.980 4.623 30 10 IJEE C=CCC1(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)CCOCC1 1632996562 CIBNEPQKEJVUTR-NRFANRHFSA-N 430.589 4.865 30 10 IJEE C#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2 1636838641 GSDHHLDEZHZTMI-QJPKHSJYSA-N 434.898 4.628 30 10 IJEE CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(Br)c1 1639603932 CTJAOMJRBPUDTR-UHFFFAOYSA-N 426.280 4.908 30 10 IJEE COc1ccccc1[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)N1CCCCC1 1650654505 DUSXOQVGJDPQOT-QFIPXVFZSA-N 429.524 4.788 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SC[C@@H]1CCC[C@@H](C(F)(F)F)O1 1652469078 AJBJQGHTCSOUDQ-BBRMVZONSA-N 431.455 4.774 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCSCc3ccc(Cl)cc3)nnc12 1655994733 BYCITZAKQBIORL-UHFFFAOYSA-N 428.970 4.867 30 10 IJEE C=CCN(C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)[C@@H](C)COC 1659211978 MWLDKGXZGQEMNT-ZDUSSCGKSA-N 437.327 4.696 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)NCCc2cccc(-c3ccccc3)c2)c1 1665224406 GSGFGVMRDHRBFI-UHFFFAOYSA-N 441.350 4.509 30 10 IJEE CC(C)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1(O)CCOCC1 1667620476 FCAWKRBULVUMRY-UHFFFAOYSA-N 443.931 4.693 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(Cc2cccc(C)c2)CC1 1670845144 IXZODSRLWPNSAC-UHFFFAOYSA-N 444.373 4.672 30 10 IJEE Cc1ccc(N2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)c(C)c1 1673103988 CGDKSQXSDRMBEP-UHFFFAOYSA-N 431.565 4.577 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](CC)Cc2ccc(Br)cc2)cc1 1673643092 BPLWHARMHZNWPU-GOSISDBHSA-N 430.346 4.508 30 10 IJEE C#CCN(C(=O)Nc1ccccc1OCCC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1678779695 SAJNTFRJRFMBGN-UHFFFAOYSA-N 443.588 4.978 30 10 IJEE CC(C)(C)c1ccc(C(C)(C)CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 1681013814 HVKLTZXHQGMEAS-UHFFFAOYSA-N 436.575 4.804 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C)[C@H]1CCOc2ccc(Br)cc21 1681153396 JHLLWPXIGAUPHN-DFQSSKMNSA-N 449.389 4.510 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 1681553398 XXNLWHOGNGAJGR-FOIQADDNSA-N 442.428 4.751 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccccc1 1682352720 SQLJHEXCRFLJMI-OALUTQOASA-N 430.289 4.512 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1ccc(Br)cc1 1684980352 BSSSAWPLWCZNIB-SUMWQHHRSA-N 431.334 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCCO1 1690193507 LQHFEYOOBPEJDB-JJEOQYAHSA-N 428.964 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)c1ccccn1 1690207891 PSPVFBAWFBZLIY-RUZDIDTESA-N 433.987 4.887 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C)[C@H]1C 1690223157 HAHXAJTYJPRVRC-NEPJUHHUSA-N 445.789 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1690256340 KBKUTOVKMUFIQE-GBWYYYKWSA-N 442.579 4.901 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690476643 KHNQVVAZYIGXBT-KRWDZBQOSA-N 440.954 4.814 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690491662 GADDDYCYEOBSMD-PKOBYXMFSA-N 438.494 4.596 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1690549916 MWJSPQZIJPIVRU-KBMIEXCESA-N 441.595 4.662 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCCN1CCCC1 1705546111 ASCCUEWCBJRGED-UHFFFAOYSA-N 448.640 4.713 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OCC)CCCC1 1705606910 KAEJXLQGFJQREN-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H]1CCOC1 1705711674 BUMJTXVVRYJKHG-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2c(C)nn(C)c2C)CC1 1705771607 AGALPKARLKQXAI-UHFFFAOYSA-N 443.020 4.779 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCSC2)CC1 1705785280 CCNATFJJUGLPSI-MOPGFXCFSA-N 447.649 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)c1cccs1 1705875225 LLCACRSRORWMAO-UHFFFAOYSA-N 432.597 4.734 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1)C(C)C 1706494734 HBEPZLFYMWMCNC-UHFFFAOYSA-N 439.604 4.685 30 10 IJEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)C2CCCCC2)CC1 1708141470 HAQAXTHXQNMATE-NRFANRHFSA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1722312654 HSXLZYXLSNGHHA-UPVQGACJSA-N 431.584 4.691 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCc1cccc(C)n1 1722418101 FELSVRRNPBJTQS-UHFFFAOYSA-N 429.499 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC=C(C)C 1722513302 VCIYREAFBBSFOF-UHFFFAOYSA-N 434.588 4.824 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCc1cccs1 1722600034 JXYDZHQSSYHZTQ-UHFFFAOYSA-N 434.569 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@H](C)C1 1722661484 HIDGHAAEHBKXOT-PWHSHALESA-N 430.618 4.621 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C[C@@H]1C 1726596413 BSAKNFYLIKEFFR-FGSXEWAUSA-N 434.613 4.663 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1)c1cccnc1 1726670087 CKOLBYXTOXIOFH-DNVFCKCGSA-N 446.624 4.982 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccnc(SCC)c1 1740533800 DOGNILCMVMAFCA-IAGOWNOFSA-N 439.560 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)SC 1740539001 MGVRXZHUWQAVDP-NEPJUHHUSA-N 427.799 4.570 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCN(CC(C)C)C1 1740603066 FPIWMZAGABZUEY-WOJBJXKFSA-N 439.673 4.569 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1740782987 BCASZRVWZCLRIQ-UHFFFAOYSA-N 443.445 4.835 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC)CCC 1740810851 HIRAQFOAOSKXON-UHFFFAOYSA-N 426.005 4.772 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740845710 YQCYFWJCYOLWHY-OAQYLSRUSA-N 437.632 4.868 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1740866596 IVEFYLQERRFGMI-DEOSSOPVSA-N 442.629 4.942 30 10 IJEE C=CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740868444 KTUKPWYFOBGZJC-BPAFIMBUSA-N 432.996 4.862 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740883037 GXVPXUHJAQEBMW-GHTZIAJQSA-N 435.399 4.866 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C(C)C)cs1 1740893862 ACLMRMYIIPMCPR-UHFFFAOYSA-N 432.391 4.958 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCNC(=O)C(C)(C)C 1740901856 NHIGLRXDWFAVLW-UHFFFAOYSA-N 441.576 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(CN2CCCCC2)cc1 1740902047 VDQNOIFZLDVQEZ-UHFFFAOYSA-N 436.991 4.650 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccnc(SCC)c1 1740904774 XGRNYAAAYKWOAF-UHFFFAOYSA-N 429.977 4.688 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CC)CCOCC1 1740926013 UYWUBHISPIOPHB-UHFFFAOYSA-N 432.572 4.720 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(OC)ccc2Br)n1C1CC1 1740936532 YEGNZZDNYCKABO-UHFFFAOYSA-N 443.345 4.879 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCCCCC1 1740995423 LHGKPHAYYGJWEK-UHFFFAOYSA-N 427.618 4.837 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740998377 LICYLXBGHSXGAZ-HXUWFJFHSA-N 430.618 4.657 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1748656256 OWQMNVAZRUUKRA-FXUDXRNXSA-N 431.353 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCSC(C)C 1748868590 AELLOYYBNJTMCF-UHFFFAOYSA-N 449.649 4.982 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCc1nc(C(F)(F)F)cs1 1749068721 LWGJLFRNLMCQSU-LJQANCHMSA-N 425.524 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1749119102 NLJPQEJUFZRSMC-IZBOUPIGSA-N 426.605 4.641 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCSC2(CCCCC2)C1 1749204410 BVIAGNCKLCQVKD-UHFFFAOYSA-N 428.602 4.698 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1749309516 KADAFVPBLOCNLT-UHFFFAOYSA-N 449.502 4.580 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CCC 1749364112 NIDGLPDJUIZFOF-SFHVURJKSA-N 436.604 4.902 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccs2)cc1 1749686225 QVKXPRQNSIZZEP-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H]2CCCCC(F)(F)C2)c1 1760127366 XKVHMQVDEOFBAW-LJQANCHMSA-N 443.542 4.673 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760131993 GIBJLNQQXQCUFP-QHCPKHFHSA-N 449.643 4.787 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC2CCCCC2)CC1 1760149049 VCLYHRSDCOBULX-UHFFFAOYSA-N 443.998 4.853 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)c1cccc(C)c1 1760162529 VLQFBCKMFVMYPM-UHFFFAOYSA-N 437.588 4.882 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)c1cccs1 1760168542 GGKNOAKMXSOALV-UHFFFAOYSA-N 438.597 4.851 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1F 1760195983 CLVHKYOCVCWPQU-KRWDZBQOSA-N 432.568 4.700 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1CCC 1760198092 XEYNUMFBOUNPTR-DEOSSOPVSA-N 431.628 4.580 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1760228299 ADUYZBZEMXHFFR-IBGZPJMESA-N 449.555 4.550 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(Br)cs1 1760236348 SFGKOLXAYQOHDX-UHFFFAOYSA-N 449.805 4.854 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc2ccccc2o1 1760276744 NZAVFKBQUSPEBB-UHFFFAOYSA-N 437.956 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SC)C1 1760319016 KPATYPQKEQVKHD-VSKRKVRLSA-N 437.613 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1760326562 XINZGQYLHACHSL-RDPSFJRHSA-N 442.579 4.850 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1cccs1 1760357546 DHRDFTSDUILDFI-HXUWFJFHSA-N 438.597 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC(F)F)c1 1760410640 LYCLKBNSVBJMCS-UHFFFAOYSA-N 430.503 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760411423 LRRNOLUEEDBLRV-UHFFFAOYSA-N 428.650 4.938 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCS[C@@H](CC)C1)c1ccccc1 1760417690 HACJBBGZYFGVIP-FSSWDIPSSA-N 426.630 4.864 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(C)C)CC1 1760431244 IQIWAVQRYMKIMF-UHFFFAOYSA-N 429.996 4.700 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760442270 LCLGGRYPRMNNGN-FQEVSTJZSA-N 436.560 4.516 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@@H](C)C1 1760484348 WGRGLAKXNIAOGL-SQVLJLFZSA-N 442.579 4.770 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)CC=C)C1 1760536467 BUMSTKDPZLUMQG-GOSISDBHSA-N 430.980 4.991 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)c2cccs2)C1 1760537994 VDYJHFKGJHRFNU-QGZVFWFLSA-N 444.004 4.814 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CCc1c(F)cccc1F 1761077603 CYCQGIGIYIZHTR-OAQYLSRUSA-N 431.531 4.807 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCCC(F)(F)C2)C1 1770730652 BSUHDWXORZUEAH-IIBYNOLFSA-N 435.469 4.666 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862446090 KYRKUOUTVPPEDG-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Br)ccc2F)cc1 1862484484 NXGRKKXJDQKVNZ-GOSISDBHSA-N 432.289 4.883 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862484533 QIOMLVFBYRQTCF-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccnc2)c1 1862493602 UILKVRRKCABCIR-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 1862593801 LHXJQJUYSXJEPK-OAQYLSRUSA-N 436.464 4.602 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 1862627087 JPASDHRJESQFHN-QFIPXVFZSA-N 437.467 4.856 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680780 KLHRLIKMBLRUBH-GOSISDBHSA-N 432.835 4.622 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862709838 GKVVTJWSBHJBOF-BLVKFPJESA-N 444.871 4.634 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 1862749091 QFVFEIHYNBMFKU-OAQYLSRUSA-N 432.407 4.512 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(C)ccc2C)C1=O 1863401934 MNPZELVNOYXNHI-UHFFFAOYSA-N 431.536 4.574 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CSc2nc3ccccc3s2)cc1=O 1870302366 OPHZCEAWWXWHFZ-UHFFFAOYSA-N 436.533 4.950 30 10 IJEE CCCCCCCOc1cn(CCCN2CCCC2=O)c(CN(CC)CCCC)cc1=O 1870409644 YIJZLYWHFKOKFQ-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CNc2ccc(C)cc2C)cc1=O 1870813590 RXKVXUUNETWXQA-VWLOTQADSA-N 447.579 4.651 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)cc1C 1871251073 LTPMEHTVTQVQSI-UHFFFAOYSA-N 437.927 4.519 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC)cc3OC)ccc2C1=O 1871386183 IDRCJFLNMRIPQG-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871446721 PBJPYJWMXWIEBG-UCQKPKSFSA-N 433.460 4.929 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1Br)C2=O 1871461167 YMRKIZJNBBWIKP-UNOMPAQXSA-N 444.325 4.621 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729975 APMCQSKMZHCJGK-UHFFFAOYSA-N 436.563 4.711 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1871775578 DGQIIKJJPYNBTP-WMZHIEFXSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871844587 FRPQVXCHSIQHPW-QHCPKHFHSA-N 442.581 4.956 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871886501 XORVMZARPUBINZ-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871985829 NADDUJVCGABVEA-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCC 1872355649 PBRYAZYCNGMDER-SFHVURJKSA-N 434.524 4.677 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1)S(=O)(=O)CCC 1872459738 XDFBIQIJBIAYCO-NRFANRHFSA-N 434.989 4.946 30 10 IJEE N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760600 SRAORDNXKYMUHD-CQSZACIVSA-N 428.813 4.770 30 10 IJEE CC(C)C[C@@H](C(=O)[C@H](C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872770954 ISIQNIYUTUPQIF-WMZOPIPTSA-N 449.557 4.759 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccccn1 1874196364 FXRVNRWTZYWHRV-MFKUBSTISA-N 437.569 4.719 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccccc1C(=O)O 1874249512 CEAIYSTYMPLALS-LFVJCYFKSA-N 438.553 4.681 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(O)c(O)c1 1874255367 XTHBAJKMNDLADM-BHGWPJFGSA-N 438.553 4.744 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(CCOC)nnc2SCc2cccc(F)c2)cc1 1874471875 BINQRYVSDFFOKZ-PCLIKHOPSA-N 441.576 4.627 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cn(C)c3ccccc23)cc1 1874512239 NRPUHSJNJMUEGA-DHRITJCHSA-N 446.580 4.815 30 10 IJEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1874561234 JLJOIYALCMOIIW-KSXCTLEASA-N 446.507 4.959 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2COc2cccc(C)c2C)ccc1OC(C)C 1874563233 QSPQNOMFIMJNOQ-ZMOGYAJESA-N 440.569 4.831 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCCCO 1874586141 YDCVQEUAMBFNFH-VOTSOKGWSA-N 449.341 4.740 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)cc1 1874594783 CKAYVIXJNMGSAD-RIYZIHGNSA-N 431.488 4.926 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 1874661203 WUHLCUMRCAGBOD-RUZDIDTESA-N 449.595 4.751 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)C(C)C 1874698236 MYXLVMAHYKYGKO-RMKNXTFCSA-N 448.269 4.823 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc2c(c1)OCO2 1875144122 GJPPDXUMWZCGGI-VMPITWQZSA-N 446.455 4.856 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCCOCCCC)ncnc2n1CCCC 1875213758 VEUZFBAGHZNWSS-UHFFFAOYSA-N 427.593 4.664 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)[C@H](CN)CCC12CCC2 1924928834 ZBDYZUZKHYVGMS-YCRPNKLZSA-N 434.378 4.992 30 10 IJEE Cc1cc(C#N)ccc1[C@]1(C(=O)O)C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 1952773552 XLWFXZUOAAIOQP-RPLLCQBOSA-N 438.483 4.500 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2005330048 XQFGZCORCSUUKU-YCRPNKLZSA-N 434.541 4.511 30 10 IJEE Cc1sc(C#CCO)c(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c1C 2039500276 GSJXMLGGHHLFOK-UHFFFAOYSA-N 446.616 4.531 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NC 2047966179 WYQBDFDXEVNRSI-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE C[C@@H]1C[C@@H](CNc2cc(Br)cc(F)c2C#N)CN(C(=O)OC(C)(C)C)C1 2115930613 ZOLCYQJJWFVSLZ-OLZOCXBDSA-N 426.330 4.765 30 10 IJEE CN(C[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1)C(=O)OC(C)(C)C 2118195962 BEKAULNRVZWNCB-ZDUSSCGKSA-N 426.330 4.543 30 10 IJEE COCC[C@@]1(Nc2cccc(Br)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162311712 ADFIIXIBDMRRFI-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2cc(Br)cc(F)c2C#N)(C2CC2)C1 2163687874 JUMBPRNIIDSZFY-FQEVSTJZSA-N 438.341 4.909 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@H](N)C#Cc2ccccc2Br)CC1 2235747624 RJFBSJXELMAMBQ-HGHGUNKESA-N 439.369 4.551 30 10 IJEE C#CC(C)(C)C[C@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404140 CIJKISVEMGZVRO-OALUTQOASA-N 437.422 4.913 30 10 IJEE CC1(C)OB(c2cccc(Cl)c2C(=O)N(Cc2ccccc2)CC2CC2)OC1(C)C 2247836019 VKVNBKLZVWPKPZ-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE CCN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)C1CCN(Cc2ccccc2)CC1 2255793128 SIODYCGJVSJGLE-UHFFFAOYSA-N 426.410 4.516 30 10 IJEE C=CC[C@@]1(COc2ncc(F)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272227110 BFQCDSWNQLOPPA-LJQANCHMSA-N 429.330 4.955 30 10 IJEE CCCCCCCCn1c(NN=C(C)C=Cc2ccccc2)nc2c1c(O)nc(=O)n2C 2295894305 COBGNFYCVREHPC-UHFFFAOYSA-N 436.560 4.697 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C1(CCNC(=O)OC(C)(C)C)CCCC1 2296225872 ZTUUBNSTLKSPSC-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296290533 DOVPUPPCBSBJFC-ZNBHLAFESA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@@H](N)C#Cc1ccc(Br)cc1 2296300667 LBERGTCNAAWQML-OALUTQOASA-N 433.390 4.698 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C2=O)c(OC)c1OC 2296867541 WQXPNZLTZMVAAG-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE C=CCc1cc(C=C2SC(=NC)N(C)C2=O)cc(OCC)c1OCc1ccccc1C#N 2313556405 ZCROIGAZQNVHES-UHFFFAOYSA-N 447.560 4.796 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317336668 YPFIFSHPZGZSPP-UCMOUWFMSA-N 430.354 4.551 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317350200 OVYFPYZRIUXWJE-QJPGBWLHSA-N 429.370 4.584 30 10 IJEE CC(=NO)c1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 2318775351 JOXRDNQHOHGBGZ-INIZCTEOSA-N 435.436 4.991 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccccc2Br)cc1OCC 2318788726 QKKIZFMJXRZRMX-UHFFFAOYSA-N 432.314 4.858 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)cc2)c1OCc1nc(O)c2ccccc2n1 2322748739 FHXJBOXKHOPSQC-UHFFFAOYSA-N 430.435 4.958 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4[N+](=O)[O-])c3C)C2=O)c1 2323153732 BEBGNTZLYLPWOF-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)c1 2323226513 VASOAICUVKUEIJ-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE CCCOc1ccc(C=NNc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)cc1Cl 2323230728 AEDSXZCCCOYNRG-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323422937 MKZYXWJGQUMSPF-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1C 2323719072 JPSNJNWOOSFFSJ-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1C 2324098086 DCGTXOBWYCPTSY-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326358196 NJKYYOKTBAODMS-UHFFFAOYSA-N 431.905 4.672 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c(OC)c1 2328789291 IHEMLQZVCWYURN-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE COc1cc(C=Nn2c(COc3ccc(C)cc3C)nnc2SC)ccc1OC(C)C 2328870062 LRMCSNAACXKZQZ-UHFFFAOYSA-N 440.569 4.874 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329920615 JKNFPNHBTKCHMD-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccco2)cc1 2331187301 SBUAUKDWOKAYOB-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)N(CC)CC)nnc2C(C)C)cc1 2331668630 FLWOHTYUVSVIOK-UHFFFAOYSA-N 445.633 4.813 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)cc2)c(OC)c1OC 2331885544 KMSDGGOJZTXTGL-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339576945 NMULOZONYBUAAC-RIBQSRIRSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)NC1(CCCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339598880 JEZYZERYJAXRNH-RVDMUPIBSA-N 444.381 4.943 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@@H](N)C#Cc1ccc(Br)cc1 2363392574 YXHYKSXZZBOWOE-RBUKOAKNSA-N 435.406 4.944 30 10 IJEE CC1(C)OB(/C=C/c2ccc(=NCCc3ccc(Br)s3)[nH]c2)OC1(C)C 2365062345 IVATVWFSCPFWTO-PKNBQFBNSA-N 435.196 4.627 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2365166137 BNIBYGJKPLKFOO-JQVVWYNYSA-N 433.390 4.568 30 10 IJEE Cc1cc(CNC[C@@H]2CCN(Cc3ccccc3)C2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2369700327 GWGLWXGTWNDMTB-DEOSSOPVSA-N 448.460 4.685 30 10 IJEE C=CCN(CC[C@@H](NCC)c1c(OC)ncc(Br)c1C)C(=O)OC(C)(C)C 2370385928 IHIXUGBTAUAVKQ-MRXNPFEDSA-N 442.398 4.625 30 10 IJEE CCCCCCCCSC1=CC(=O)C(Sc2nnnn2-c2ccccc2)=CC1=O 2023422 JLNYHMQVIBTHRC-UHFFFAOYSA-N 428.583 4.768 30 10 IJEE CCCCCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)NC2=O)cc1 20582497 XNCWESNGAWVKNJ-FQEVSTJZSA-N 425.554 4.894 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)cc1 20908059 ZGEYEFFFRZEYBY-SSDVNMTOSA-N 449.367 4.987 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)cc1OC 41588599 QYAFYCDBHCMJFA-KSEXSDGBSA-N 447.487 4.882 30 10 IJEE C[C@H](NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)c1ccccc1 59014543 UDKMPIPGRSBKIK-PGCIDKTFSA-N 449.367 4.527 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3ccc(F)c(F)c3)S2(=O)=O)cc1 105336524 NQKQFUONUWFJDC-YBFXNURJSA-N 446.500 4.821 30 10 IJEE Cc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c(C)n1-c1ccc2c(c1)OCCO2 105808056 YYLNAXMYEKWXDC-UHFFFAOYSA-N 449.510 4.912 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 106116411 AUCDOJLKAMOISQ-SFHVURJKSA-N 446.532 4.606 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2[C@H]2CCCO2)ccc1OCc1cc(C)ccc1C 169912896 GCSHSZUKOXCVAX-GEUHTFEZSA-N 438.553 4.505 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)cc1 169997593 NGTIRKPDVOLADD-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)c1 170051605 PJIGONIJERKDFT-JOCHJYFZSA-N 427.456 4.565 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)cc1C 170098254 VBICPOXJFQPBCN-FQEVSTJZSA-N 446.484 4.989 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1 170264151 UULLCTQIEVBJGY-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2C)cc1C 170273816 JRHGAEHKBZUCRN-YKSBVNFPSA-N 449.547 4.850 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)cc1C 170293030 WIQCXURIONAVOV-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccco2)ccc1OC(C)C 170295535 IRDNBTBQVWRVDK-JOCHJYFZSA-N 441.524 4.769 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(C)o1 170308659 AGTYRYWVCBXJRY-IBGZPJMESA-N 429.856 4.602 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1cccnc1)c1ccccc1 170354280 ZGXDHISKZGDBAQ-XMMPIXPASA-N 439.515 4.855 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 170410263 PYFNBKDVTQUBTL-XMMPIXPASA-N 443.499 4.872 30 10 IJEE COC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2C)cc1 170424332 LLKFCGYPBOGISN-QHCPKHFHSA-N 441.483 4.560 30 10 IJEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170474930 FTROPTBIKQUAMQ-HSZRJFAPSA-N 446.503 4.916 30 10 IJEE COc1cc([N+](=O)[O-])cc(C=Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1O 254438616 BCAIDRBTVVWLQT-UHFFFAOYSA-N 448.504 4.551 30 10 IJEE CC1(C)OB(c2ccccc2NC(=O)c2ccc(OCc3ccccc3)cc2)OC1(C)C 404971923 QSZLMEYOSGELKT-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE COc1cc(C(=O)Nc2cc(C#N)ccn2)ccc1OCc1ccc(Br)cc1 436012078 SNPIWYKSUXFSPG-UHFFFAOYSA-N 438.281 4.556 30 10 IJEE N#CCCCN1C(=O)CCc2cc(NC(=O)NCCc3cccc4ccccc34)ccc21 470553522 NTMKOFSKRACFRK-UHFFFAOYSA-N 426.520 4.787 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)nnc1-c1ccc(Cl)cc1 470618626 KZSCEFZBLWYSHO-SWLSCSKDSA-N 444.910 4.676 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(C(C)C)n1Cc1ccco1 481145905 SDIDLOQTZJXLIH-MRXNPFEDSA-N 430.599 4.800 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccn2)cc1OC 526514704 CPQLOUPMHHCTTP-XMMPIXPASA-N 441.487 4.808 30 10 IJEE N#Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 526661200 WMVPBKNBQMVIKZ-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cc(OC)ccc1OC 526821958 CCOQBWMCORWTSW-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(OC(C)(C)C)cc2)cc1 526827519 UEDNSIDLKGGJSB-OYKKKHCWSA-N 438.553 4.725 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(OCC)c(Cl)c2)o1 526830292 UWZZUVYNJHRNNE-JJFYIABZSA-N 448.932 4.583 30 10 IJEE C=CCc1cc(CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)cc(OC)c1OC 541425513 RHRCVTOJEWCEPG-NRFANRHFSA-N 437.584 4.555 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 549634554 PVDUZUZFHJOPIA-OAQYLSRUSA-N 430.980 4.729 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 559003617 DVIJBKDZVOSNJE-QHCPKHFHSA-N 429.524 4.589 30 10 IJEE Cc1ccc(Sc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)c(C)c1 609255701 IZUQCTWXKCZEGC-UHFFFAOYSA-N 433.508 4.720 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(O)nc2ccc(Br)cc12 609967844 KWUDPKRVLBQDPG-UHFFFAOYSA-N 438.325 4.873 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(NN=C2CC(c3ccc(F)cc3)C2)nc1 759192848 XUAWGTFMNNBZKN-UHFFFAOYSA-N 438.528 4.781 30 10 IJEE C=CCC[C@H](C)OC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 772779148 YAUJALNEVIOCKX-ZDUSSCGKSA-N 427.316 4.528 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2c[nH]c3ccccc23)n1)Nc1cccc(Cl)c1 1084288608 HLDSVUFQTRYRTQ-UHFFFAOYSA-N 439.932 4.506 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c(OC)c1 1125847325 KAIHRTFGVKUHSN-UHFFFAOYSA-N 437.536 4.893 30 10 IJEE C#Cc1ccc(C(=O)N(CCOc2ccc3cc(Br)ccc3c2)C(C)C)nc1 1126585663 UGKAIOPMIZRXIL-UHFFFAOYSA-N 437.337 4.908 30 10 IJEE C=CC[C@]1(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1126857791 JWFUSCGAUKQROE-JOCHJYFZSA-N 436.474 4.519 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Br)cc2C(C)=O)cc1OC 1127468944 OGEGNKRHISLTRK-POHAHGRESA-N 430.298 4.877 30 10 IJEE C=CC[C@]1(C(=O)N2CCN(CCC)c3cc(F)ccc32)CCCN1C(=O)OC(C)(C)C 1127960107 IENZRQVAQYDQAA-XMMPIXPASA-N 431.552 4.735 30 10 IJEE CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)N1C[C@H](C)O[C@H](C)C1 1137036630 BAUZWXRYCPYIPT-MFEFFIJZSA-N 425.504 4.562 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 1138257400 ICMIDCPCPUSHOX-UHFFFAOYSA-N 426.472 4.637 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 1143846188 HUAJNKDKQAZGHT-UHFFFAOYSA-N 440.475 4.792 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1COC(C)(C)C1 1158490486 TXRPLTIKFDRTCH-HOYKHHGWSA-N 448.563 4.544 30 10 IJEE C#Cc1cccc(NC(=O)c2ccc3c(=O)n(Cc4ccccc4Cl)c(S)nc3c2)c1 1160458127 IEXZLIASLXAYDP-UHFFFAOYSA-N 445.931 4.621 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2Br)nnc1-c1ccccc1 1164453238 BBSASYJAQVXJDX-QGZVFWFLSA-N 444.354 4.900 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@](C)(CO)c2cccc(Br)c2)cc1OC 1179751939 QDYYIWXINBVNLH-FQEVSTJZSA-N 440.765 4.673 30 10 IJEE CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@@H]3CCCc4cc(C#N)ccc43)c2c1C 1186729760 HDEYQTBNXQKVSV-GOSISDBHSA-N 449.580 4.599 30 10 IJEE C=CCN(Cc1ccccc1F)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F 1190485940 SCASGAUMECVROV-UHFFFAOYSA-N 425.817 4.662 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c(Cl)c1 1209898445 ZJELVSMLEIOZNC-IBGZPJMESA-N 443.931 4.717 30 10 IJEE Cc1c(S(=O)(=O)NCc2nc(-c3ccccc3F)cs2)sc2ccc(C#N)cc12 1211710511 FGHIUYOXIXRJKM-UHFFFAOYSA-N 443.550 4.823 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2c(OCc3ccccc3)ccc3ccccc23)C1 1255363464 KHNHSIBMLIFALQ-XMMPIXPASA-N 441.575 4.658 30 10 IJEE N#Cc1cccc(CN2CCC(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c1 1260989860 BBBGGHQVTMZZOQ-UHFFFAOYSA-N 437.609 4.549 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 1272193896 VDNUDHVHZVLRFE-KRWDZBQOSA-N 449.382 4.729 30 10 IJEE C#C[C@@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1275498149 MJVNIFVBHDOZQF-MKEBVBBPSA-N 448.966 4.989 30 10 IJEE C#C[C@@H](NC(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)c1ccccc1 1277180424 DLZISYXTMKENSB-LJQANCHMSA-N 445.569 4.788 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1286337419 HHWNFLCYTWTQGO-UHFFFAOYSA-N 425.458 4.914 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccnc(SC)c1 1286450240 BBOBOVLTDXRKOU-UHFFFAOYSA-N 449.624 4.779 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCC1CC1 1286496948 LPOJPPLJIYRRBA-UHFFFAOYSA-N 437.638 4.980 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Br)o1 1286701762 FEWCQNOYARVIFC-UHFFFAOYSA-N 436.379 4.592 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286702383 MBBLZASYAIRXGE-OAQYLSRUSA-N 435.547 4.725 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)c(F)c1 1286718817 TUFKXSVCCXFPIX-UHFFFAOYSA-N 425.302 4.718 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286722748 RVVDPJQQWOYXLX-UHFFFAOYSA-N 448.571 4.616 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C(C)C)N1CCCC1 1286743803 TVGPNEZTHAAVQY-XMMPIXPASA-N 432.616 4.597 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CC[C@@]3(CCSC3)C2)nnc1C(C)(C)C)C(C)C 1286752491 XWIJRFKVJRTCJX-GBXCKJPGSA-N 431.694 4.608 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCC(OC)CC1 1286756425 WWMPVVFQCINUOZ-UHFFFAOYSA-N 444.023 4.666 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cnn(CC)c1 1286827740 YRWCFXBFJGQISA-UHFFFAOYSA-N 434.972 4.510 30 10 IJEE C#CCN(C(=O)c1csc2c1CCCC2)[C@H]1CCOc2ccc(Br)cc21 1293513584 KOYSZECUWHGNDR-SFHVURJKSA-N 430.367 4.989 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1297859667 GEQQZNVVZXVINP-LEWJYISDSA-N 440.661 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](SC)C1 1300877931 YIJYACZAGJYJSE-SJBKTWHCSA-N 426.630 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(-c2ccsc2)nc1 1300919173 XVAOGXPZNBNNGQ-UHFFFAOYSA-N 430.581 4.838 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2nc(C)c(C)s2)CC1 1301075251 ZTKMDEYDKKZVEU-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1301211712 LRRIGJVTTCSAKC-UHFFFAOYSA-N 442.007 4.936 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOc1ncccc1Cl 1301271730 ZVLKGFGQGWTIBV-UHFFFAOYSA-N 434.931 4.551 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CC)CCOCC1)C1CC1 1301317500 WBWOLIGEUNXZHY-UHFFFAOYSA-N 432.515 4.908 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1301321206 ZOSOIBUPFMVUHB-GOSISDBHSA-N 425.577 4.664 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1)C(C)C 1301367429 NXZPGVGGENAYRQ-UGKGYDQZSA-N 444.023 4.522 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCCC2(CCOCC2)C1)C(C)C 1301367947 WGRROWYHWAGBFW-HSZRJFAPSA-N 441.664 4.641 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1301555897 DNACWLCJAXWWHW-RPWUZVMVSA-N 449.574 4.624 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)c1ccccn1 1301951550 BACPSMGEIXAMNH-QZTJIDSGSA-N 436.535 4.526 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccccc2F)cs1 1306425497 SQJFCCGSUAFAMO-CQSZACIVSA-N 425.913 4.924 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)ccc1OC 1308373974 FOQKJHXJIYSSJN-SFHVURJKSA-N 434.458 4.564 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 1310176624 XOZFOAJRMRUQKN-UHFFFAOYSA-N 428.916 4.728 30 10 IJEE C=CC[C@H](NC(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1)c1ccncc1 1312020862 JMWHHEBVEWEWPU-QFIPXVFZSA-N 443.551 4.754 30 10 IJEE C=CCC[C@H](CO)NC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 1312248388 XACFPLLLUZURNR-ZIAGYGMSSA-N 438.391 4.568 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 1313125057 DDVCNHRIQCCMRT-LOSJGSFVSA-N 435.612 4.955 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1348777080 VJMCEILMZBTVQD-IBGZPJMESA-N 425.381 4.643 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3c(s2)C[C@@H](CCC)CC3)CCCN1C(=O)OC(C)(C)C 1352374082 QPIXTNSRHIFRRX-HJPURHCSSA-N 431.602 4.780 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1c1cccc(C)c1 1354037924 DZENAAOWACTNTG-RDGATRHJSA-N 440.503 4.602 30 10 IJEE CC[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc2c(c1)OCCO2 1355113676 AUADVRCXNYGWJA-HSZRJFAPSA-N 428.488 4.790 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSC[C@@H]1C 1358916596 QMBNWMMNFKTHLD-HNNXBMFYSA-N 439.412 4.909 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1359057735 HKGPKIOHNPYNEO-NRFANRHFSA-N 426.630 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1OCCC1(C)C 1359063967 HYDIAMSCGCLAFQ-GERBCZOESA-N 442.991 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359093779 SKYIZUNQWCCAPP-DWIQEWEKSA-N 430.980 4.583 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1359124427 DLNIRINKTPTFGB-HXUWFJFHSA-N 426.492 4.653 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCc2sccc2C1 1359125790 SRIVGEKBVBPAPE-SFHVURJKSA-N 443.617 4.941 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C(CC)CC)no2)CC1 1359180855 VRFDOGACYSFZRM-UHFFFAOYSA-N 440.617 4.976 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1359199152 MSOGOHIEYSGLKH-UHFFFAOYSA-N 426.590 4.603 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(COC)CCCCC1 1359233312 ZLXWNKHXWVOORI-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C(C)(C)C)no1)C1CC1 1359252588 XMHJCOKBVQAFRE-UHFFFAOYSA-N 427.499 4.636 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC1(CCC)CCC1 1359261626 PHTJTFKHVURXNJ-UHFFFAOYSA-N 427.618 4.739 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@]1(C)CCCO1 1359264837 RBNBLZGPAIXSTE-DEOSSOPVSA-N 438.597 4.989 30 10 IJEE C=CCn1c(SCc2cc(C=O)ccc2OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458731105 IZVDXQXHRWGIHN-CQSZACIVSA-N 440.590 4.882 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2(C3(C)CC3)CC2)c1 1460026099 FUALVXNQCPEGOM-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)Cc1cccc(N2CCCC2=O)c1 1460036046 HNEDKOBKKWIOFW-UHFFFAOYSA-N 426.472 4.763 30 10 IJEE CC#CCN(C)[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 1460175001 YQHMYGUWXCWNQH-HTAPYJJXSA-N 438.593 4.685 30 10 IJEE C#C[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1F 1460800201 FTPXZBAEFUJQQW-OAQYLSRUSA-N 448.860 4.970 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OCCOCC)c(C(C)C)c1)c1ccc(Cl)cc1 1463835501 UCWLMWYCNRULOE-NRFANRHFSA-N 435.973 4.532 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 1464884558 RMQDQPOBGOUXTG-MRXNPFEDSA-N 428.360 4.915 30 10 IJEE C#CCN(C(=O)[C@@H](CCCC)ON=C(C)C)[C@@H]1CCOc2ccc(Br)cc21 1465180154 XTVFXTSYYJNNKI-UYAOXDASSA-N 435.362 4.706 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1465337666 HYGKBBPKKIGLTF-APWZRJJASA-N 445.560 4.518 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1Oc1ccccc1 1467365953 FGAGDDFONSTJTC-HMXCVIKNSA-N 435.442 4.625 30 10 IJEE C=CCOCCCC(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1470977944 AEIKCJXRBGKLTB-INIZCTEOSA-N 438.362 4.594 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 1471717009 YGULITRICJCBOC-AWEZNQCLSA-N 435.874 4.620 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1OC 1474162417 CHDBJZXCHRBGKM-INIZCTEOSA-N 429.948 4.684 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 1474485561 NKZWZJVDXYCYDH-KXBFYZLASA-N 439.503 4.917 30 10 IJEE CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CCN(CCC(F)(F)F)CC1 1475954479 FENFAYQOYPOLCT-UHFFFAOYSA-N 447.461 4.626 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 1476663538 INPANQPQKHZGCC-UHFFFAOYSA-N 439.537 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(OC)C1CC1 1507517757 JKJOWZZFBGRLGC-FYSMJZIKSA-N 435.597 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1ncc(C)s1 1507521539 AAVGNUNPBDHQDN-KGLIPLIRSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1507555219 JLHBNUKXGMLZIE-UHFFFAOYSA-N 431.584 4.999 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1507560311 GCERDGHHIPQDFL-PZJWPPBQSA-N 428.602 4.570 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1507565482 FJRXIMSENWZYEG-FQEVSTJZSA-N 449.599 4.968 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1507601999 LKWDRWDJOSOODN-BBTUJRGHSA-N 445.007 4.982 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1sccc1C 1507654659 OJSHSLBTGLMQSL-UHFFFAOYSA-N 446.620 4.974 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507673467 VYNDNKNJEVLNRA-UXHICEINSA-N 444.501 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCc1coc(-c2ccc(C)cc2)n1 1507819884 WLQLGXTZUWELFR-NRFANRHFSA-N 435.572 4.781 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](OC)C1 1507912593 WHBFKYGKIXNXKR-HXUWFJFHSA-N 436.556 4.945 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507925923 LHIMMEMINVVVCA-KRWDZBQOSA-N 447.986 4.787 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCC1 1507967174 CQCPUQSJXXCBNM-LJQANCHMSA-N 432.012 4.796 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1Cc1ccc(C)s1 1508000460 XBNSLVOEYRQZRE-UHFFFAOYSA-N 428.565 4.766 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CC1(SC)CCN(C)CC1 1508003014 QKILJTPGARKYFV-UHFFFAOYSA-N 441.689 4.887 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CC[C@@H](c3ccco3)C2)nnc1C(C)(C)C)C(C)C 1508013176 NFUDNDFQZQKOFF-RTWAWAEBSA-N 425.621 4.861 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C)CC1 1508107762 GEBVRVSXAIFOSN-SFHVURJKSA-N 437.613 4.873 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1512171127 BDPJYFVIMMBQNG-NFBKMPQASA-N 434.632 4.952 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)OCC(C)C)c1ccc2c(c1)OCCO2 1524359132 ZJNDWDNTBXMGFV-LJQANCHMSA-N 425.525 4.617 30 10 IJEE C=C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1524759777 MXNOEMZLTIVKLG-FQEVSTJZSA-N 448.592 4.911 30 10 IJEE C=CCC[C@H](NC(=O)Cn1c(=O)n(CC)c2ccccc21)c1ccc(C(F)(F)F)cc1 1526561165 QCGCONKYXSLJIM-SFHVURJKSA-N 431.458 4.665 30 10 IJEE C#CC[C@@]1(C(=O)OCc2nc(-c3ccccc3)cs2)CCCN1C(=O)OC(C)(C)C 1527009398 JHNSDLVRPPDILI-QHCPKHFHSA-N 426.538 4.646 30 10 IJEE C#CCN(C(=O)[C@H](CC)Oc1ccccc1F)[C@@H]1CCOc2ccc(Br)cc21 1529627606 RONPXXCZWDQSCD-MOPGFXCFSA-N 446.316 4.731 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 1529684523 RMYQPNJFEWESLC-CQSZACIVSA-N 435.877 4.909 30 10 IJEE C#CCN(C(=O)CCOc1ccc(C)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1531553674 NPYRRWRUSRYXEC-OAQYLSRUSA-N 442.353 4.820 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)c3cn(-c4cccc(Cl)c4)nn3)c2C#N)C1 1534340065 DIGZLBJDMSAPIX-CYBMUJFWSA-N 425.945 4.867 30 10 IJEE C=CCc1ccc(OCC(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c(OC)c1 1534447151 QFJXZGZIINYEHQ-IBGZPJMESA-N 425.359 4.558 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 1535069287 QOEGEQQLBSAULD-UHFFFAOYSA-N 443.975 4.698 30 10 IJEE C#CCN(C(=O)CCOc1ccc(Cl)cc1)[C@@H]1CCOc2ccc(Br)cc21 1538197820 CGCUNVIFMLWJLP-LJQANCHMSA-N 448.744 4.857 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(C)(C)C 1538269701 CGVFJMIWHIIJMB-UHFFFAOYSA-N 438.984 4.940 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(CCOC)CCCCC1 1539021958 FVGBBHXZPRQGKX-HXUWFJFHSA-N 433.600 4.795 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1539499543 MJCVYOODFDNKQV-HKUYNNGSSA-N 444.670 4.503 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCC2(C)C)c1 1539537355 USPIKEOIGJHDDW-FQEVSTJZSA-N 432.973 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCc1ccc(OC)c(OC)c1Cl 1539557019 YVUIFQCBRATCNL-XMMPIXPASA-N 442.991 4.841 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1C1CCC1 1539607578 IBYFDQZJSWJCOP-LJQANCHMSA-N 431.378 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC1CCOCC1 1539616135 OTVKGXOXIDCIGP-SGNDLWITSA-N 438.616 4.664 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc3cc(Br)cnc23)c(OC)c1 1539825463 WXWDHJDYCUTZGX-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1539944887 HURTZZDHGIQDJJ-HMXCVIKNSA-N 425.552 4.670 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)CC1 1539952263 ACKJJMHTKZFYCN-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC[C@H]1CCCCO1)C1CC1 1540103066 ZSUPNSZNYBASIQ-QGZVFWFLSA-N 431.378 4.822 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nccs2)C1 1540886092 VKKKFNURUPPULE-FQEVSTJZSA-N 437.613 4.723 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 1543578506 GDVOBHMEKUJTHX-LAUBAEHRSA-N 427.907 4.872 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)cc1 1544716744 ZEHXYESUYMQJLR-HXUWFJFHSA-N 428.326 4.837 30 10 IJEE C#CCN(C(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C)C1CCCCC1 1544802043 BEZKQCYDWWXPAD-OAQYLSRUSA-N 427.589 4.895 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1)C(=O)OCC 1556642544 PCBRRWUCNNUULA-DEOSSOPVSA-N 445.563 4.843 30 10 IJEE C=CCCC1(CNC(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)CCCC1 1557476388 WYQFGFHYQHIYBQ-UHFFFAOYSA-N 434.621 4.562 30 10 IJEE C#CCN(CC1CC1)[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 1559659061 ZACHBHZMZFRKFK-JOCHJYFZSA-N 446.532 4.743 30 10 IJEE CCc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1Cl 1559831710 BEODDYZNYSQZRD-HNNXBMFYSA-N 431.367 4.577 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C 1559845768 AFJILVZXHRPGGM-LEOXJPRUSA-N 437.609 4.993 30 10 IJEE C=CCN(C(=O)OCc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1561470811 BBUSGAZEJFEPKZ-HXUWFJFHSA-N 446.341 4.748 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 1564081567 DHXDNHIGCBHZRR-OALUTQOASA-N 428.374 4.514 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1564083043 IUBRTYWODFTJMN-UXPWSPDFSA-N 437.531 4.965 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1564979128 IUPYFECCQZVYML-HFSMHLIXSA-N 439.353 4.721 30 10 IJEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Br)s1)c1c(O)n[nH]c1N2 1565534977 NAKMJODDCGYMEX-ANRSDYALSA-N 448.367 4.959 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCN(c2ccccc2)C1=O 1584443131 ISWGUGCCDNKDKL-LJQANCHMSA-N 445.332 4.546 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cn(C(C)(C)C)nc2Br)C(F)(F)F)cc1 1587315313 KKJOTEVNYROHHQ-AWEZNQCLSA-N 429.236 4.842 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC2(CCC2)C[C@@H]1CC 1589124871 CSGLGLJYAWPJJC-XUVXKRRUSA-N 430.662 4.722 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccccc1F 1589560345 ZEUKIUQSXSJUNJ-NRYAXDJKSA-N 435.547 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1OCC[C@H]1C 1589608757 OIEZWBLYPLDEEL-RDTXWAMCSA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H]1OC 1589625997 QPPDENRHPPYMBC-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C 1589658113 SSQPILYVMHRPMQ-MOPGFXCFSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1594454739 HSVDKWASDQYZDQ-HZPDHXFCSA-N 432.410 4.883 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1594600099 IOZLWLDGJVAGPY-INIZCTEOSA-N 426.458 4.988 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2CCCO2)CC1 1594659631 FAECVPKQBLLHLG-YPAWHYETSA-N 430.637 4.948 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1594704479 YGOWJSAZVPJTJX-FQEVSTJZSA-N 431.544 4.673 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1nc2ccccc2[nH]1 1595234434 SMDUYCGVDYODNQ-AUSIDOKSSA-N 448.615 4.884 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC 1595260029 FYLUESMGSSRXSR-UHFFFAOYSA-N 443.592 4.631 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1 1595614900 ZSMCOFPJZHLYOI-QGZVFWFLSA-N 431.462 4.665 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 1595890576 ZDNSCLUJLAYSEP-UHFFFAOYSA-N 428.499 4.706 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@](F)(C#N)C1 1611365734 ADUMPGWFBYWBCO-VFNWGFHPSA-N 429.952 4.981 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1 1620239838 BYKDUHMWIUJXEA-ICSRJNTNSA-N 427.643 4.682 30 10 IJEE Cc1cc(C#N)cc(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)c1 1626379955 UGROAVDNOMWCLZ-UHFFFAOYSA-N 438.578 4.718 30 10 IJEE CC(C)C1CCC(N2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)CC1 1630597013 DFKOCOUDITZCFJ-UHFFFAOYSA-N 435.568 4.703 30 10 IJEE C=C(CCC(=O)OC)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1631003693 SWWSYIUKZLHIHX-UHFFFAOYSA-N 435.402 4.797 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccsn1 1632965601 CLYCZQJBQAYFPE-NRFANRHFSA-N 433.533 4.955 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1635881718 DBFPLOUQRHCOSN-AWEZNQCLSA-N 428.451 4.576 30 10 IJEE COC(=O)[C@@H](Cc1ccc(C)cc1)SCC(=O)Nc1ccccc1SC[C@@H](C)C#N 1641096287 FTGKWEKMKHOEOS-LAUBAEHRSA-N 442.606 4.703 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 1645425717 CIPYXCWPBQPFMQ-KRWDZBQOSA-N 442.478 4.646 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CCS1 1649594022 HSSCEWDAQCZLRD-RTWAWAEBSA-N 439.629 4.744 30 10 IJEE C=CCC[C@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1650895452 CUUIMNIGXLKJRC-INIZCTEOSA-N 443.447 4.641 30 10 IJEE C#C[C@H]1CC[C@H](Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 1651386461 JIUNXRBSQCHHSF-IYARVYRRSA-N 427.526 4.616 30 10 IJEE C=CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 1651626844 HOVYJAGJZBGTEM-UHFFFAOYSA-N 428.579 4.629 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)OC)c1ccc(Cl)cc1 1651648347 OHZIQVZBXMLIEL-LJQANCHMSA-N 447.919 4.842 30 10 IJEE C[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)c2ccncc2)cc1 1653095685 DMZDSMUMUNDVEX-MRXNPFEDSA-N 447.926 4.538 30 10 IJEE C=CCN(Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)Cc1ccccc1F 1659078560 ARZPSVDGQJIKQJ-UHFFFAOYSA-N 429.536 4.664 30 10 IJEE Cc1ccc(-n2ncc(NC(=O)N3CCN(c4ccsc4C#N)CC3)c2C(C)C)cc1 1660708613 AVAPZGGRLDXCAM-UHFFFAOYSA-N 434.569 4.591 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Cl)cc(C(=O)OCC)c1 1661002880 OONKXEBMUKDALK-UHFFFAOYSA-N 434.366 4.609 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 1662259904 FNOVQWUUZPNDPH-UHFFFAOYSA-N 427.328 4.881 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(CCOC)cc1)c1ccc(C(F)(F)F)cc1 1662980957 ORHNRAFUPSRBDI-HXUWFJFHSA-N 427.488 4.880 30 10 IJEE C#Cc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 1663446404 KGFWAKDMSIDUAK-UHFFFAOYSA-N 426.335 4.576 30 10 IJEE COc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1-c1ccccc1 1667452762 CZVLRXNCFHUIBQ-BJKOFHAPSA-N 432.545 4.823 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@H](OC)C1(CC)CC)[C@@H]1CCOc2ccc(Br)cc21 1670855857 UOPSMTBSOSJAMW-MISYRCLQSA-N 449.389 4.511 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1cc(Br)ccc1OC(F)F 1675014502 MLUDWVCYSMBBTN-UHFFFAOYSA-N 443.219 4.523 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1cccc(C#N)c1C 1675320348 GRIMGRLITSZAJE-FCHUYYIVSA-N 434.540 4.910 30 10 IJEE C=CCC[C@H](NC(=O)Nc1nn(CC)cc1C(=O)OCC)c1ccc(C(F)(F)F)cc1 1675476319 SYPJHEGFWUYHTC-KRWDZBQOSA-N 438.450 4.928 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Br)c1F)c1ccc(Br)cc1 1679193486 IOHYOKOHVFMURU-CYBMUJFWSA-N 426.083 4.847 30 10 IJEE C=CCCC[C@H](NC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1 1680982056 ZKGGMJQHBPYDKL-FQEVSTJZSA-N 428.964 4.670 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(Cn2cccn2)CC1 1689877109 QIXTTWRZXOTRBJ-DEOSSOPVSA-N 430.600 4.737 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)OC(C)(C)C1 1690161870 TWRNHIOSHRYHCU-DLBZAZTESA-N 444.670 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nccs1 1690196276 FIMCGSUBUYELPH-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCCCCN1CCCCC1 1690201562 OWDPMKBAOCAVRQ-AREMUKBSSA-N 435.616 4.602 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1c(CC)noc1C 1690214703 SNWAKZXFCISISD-XMMPIXPASA-N 435.597 4.778 30 10 IJEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC(C)C)C1CCCC1 1690312988 IFTQVHNYUFAPHL-QHCPKHFHSA-N 440.588 4.788 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](COC)C1 1690331070 PZDABBSOQDVASB-FQEVSTJZSA-N 439.991 4.968 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2cccc(C)c2)C1 1690441785 GSJAEAFAWDXVJH-VABKMULXSA-N 438.616 4.907 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1)c1ccccc1 1690444292 DMIFBEIEFZIXEP-JOCHJYFZSA-N 449.643 4.675 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](NC(C)=O)C1 1690455880 PNPCDFOPBCALKU-FXAWDEMLSA-N 441.645 4.593 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)C[C@H](C)C(=O)NC 1690475484 UDRYVROUIXMRKG-INIZCTEOSA-N 441.576 4.597 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1690480235 DPMONNCXMRTHIN-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1690491521 CQUWCPMDSFPRDZ-UHFFFAOYSA-N 439.648 4.998 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nccs1 1690577569 JVWNXZMZNMTQSN-DLBZAZTESA-N 429.615 4.686 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1)C(C)C 1690583413 JVIMAWFKZGUIJG-CJRSTVEYSA-N 441.664 4.845 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690629942 LXHWLOYZBIDCPX-UHFFFAOYSA-N 440.336 4.638 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1690633179 NWFCFVXOBYALRP-ZDUSSCGKSA-N 431.359 4.743 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)C1 1691919020 CUMVFRKQMJKKAJ-IBGZPJMESA-N 449.628 4.886 30 10 IJEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CC1CCC(F)(F)CC1 1696756246 FNXDDJAZNIEADV-IBGZPJMESA-N 429.515 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCN(C(C)C)C(C)C 1705478855 CASQJJVZXAQZLB-SFHVURJKSA-N 446.437 4.674 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705511894 JEQSWGUNRFVHCA-IBGZPJMESA-N 441.988 4.745 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1705654332 DUPDRDDBSGPMRX-HOTGVXAUSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705670360 QVGUIGOREVKWRT-RQNQAMLKSA-N 436.600 4.787 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)CCC 1705681824 HELQSQISQKOAJE-LLVKDONJSA-N 445.203 4.817 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(C)CC1 1705703338 MQTKACJLJHNJJZ-FXAWDEMLSA-N 445.405 4.925 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705726292 CUVXKFSWQWGNCO-LJQANCHMSA-N 437.613 4.857 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1705748061 ASCHMRAXRXPYNS-VIKVFOODSA-N 425.733 4.834 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(c3ccccc3C)CC2)CC1 1705776058 WLMJUOPGXFLIGN-UHFFFAOYSA-N 435.616 4.639 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCSC2)CC1 1705776165 ZHWHCAFXDALSGS-HXUWFJFHSA-N 439.629 4.693 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN(CC)C2CC2)CC1 1705776777 OYJVGHJMDMPUSQ-SFHVURJKSA-N 444.023 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)N(C)C)CC1 1705790342 QWKYVBSULZYLKP-UHFFFAOYSA-N 444.023 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1COC(C)(C)OC1 1705792901 FXSBWVCTIAMVEF-UHFFFAOYSA-N 448.558 4.585 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C)C(C)C 1705867725 UMENIJOCNUOXGD-KMDXXIMOSA-N 444.627 4.608 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1nccs1 1705881067 ZSISWIYUBMXJTQ-UHFFFAOYSA-N 425.945 4.931 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2CCC(F)(F)CC2)C1 1705928074 ARKCYOWCQMOUBT-OAQYLSRUSA-N 446.542 4.772 30 10 IJEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCOC)Cc2ccc(C)o2)CCC1 1708878844 ABWGFCHWQSRJPX-UHFFFAOYSA-N 433.556 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCOC1CCCCCC1 1722302510 JATXJVVHBBVBQM-LJQANCHMSA-N 442.629 4.776 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722319400 ZGYBZRHXNDQDNX-QFIPXVFZSA-N 428.527 4.670 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)c1c(C)noc1C 1722391407 MADDLMRRJLHYSW-HXUWFJFHSA-N 441.579 4.620 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)[C@@H]1C 1722529473 UBQBPWIVHIIGBX-PCCBWWKXSA-N 444.645 4.958 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 1722553709 FVGUEYMEPCMNRB-UHFFFAOYSA-N 432.355 4.911 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(SCC)c2)CC1 1722566900 CLEJXSHODIKSMB-UHFFFAOYSA-N 425.627 4.951 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722591001 KDEVBEYFOLGGAI-MRXNPFEDSA-N 444.992 4.630 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1 1722602883 CVWFXODPESXJCO-OAHLLOKOSA-N 439.423 4.989 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722605713 PLNHDXRCFVRAFB-UHFFFAOYSA-N 441.664 4.842 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1722636044 CQNMEQONLWRXMO-HDICACEKSA-N 446.437 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC=CO1 1722665374 AWKVGCMADMQFLW-MRXNPFEDSA-N 433.325 4.718 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1722682418 IDKLISXGZHBMQJ-SJORKVTESA-N 431.378 4.537 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 1722701894 ADBQFJZYZSAJIP-UHFFFAOYSA-N 425.621 4.573 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1722713418 BHJAOIFZIUHIED-IFMALSPDSA-N 437.632 4.545 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(CC)CC)CC1 1722731864 NBZGXIHJNGJFJX-UHFFFAOYSA-N 449.599 4.770 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1722734593 FIQJEZXKJBREBQ-MJGOQNOKSA-N 430.618 4.896 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)S[C@H](C)C1 1722742656 BBUUTQGYVGQURG-RTBURBONSA-N 432.659 4.723 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1nccs1 1740538237 KVTHBYZMGIKZOK-QGZVFWFLSA-N 430.581 4.510 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740577962 UVVKJNVDRDGPMQ-HSZRJFAPSA-N 446.599 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCSCC(F)(F)F 1740648456 HIUKFQRNDACHTI-LJQANCHMSA-N 434.531 4.578 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C)CC1 1740712926 YSSRSJIEUJQJEK-MRXNPFEDSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(OC)C1CC1 1740725507 MVCZCYHDJPTOES-PKKBDPGCSA-N 442.991 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccc(C)cc1 1740763842 QOFLWXYXKVCAHH-RDGATRHJSA-N 438.616 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cnc(C)s2)CC1 1740819977 LYWDWESLHJGZAU-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740845000 AMOKWGGGYVGFIB-IEBWSBKVSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1740848594 MNCDCUJNBZEEEW-IBGZPJMESA-N 444.649 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1740851858 DLUWLYCCZYWLOQ-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CCCO)CC1 1740869774 ZDLZPZRTGYTGHN-UHFFFAOYSA-N 447.421 4.971 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1740883127 JWZGLLFJHSUKCR-SFHVURJKSA-N 441.576 4.826 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1CCC1CC1 1740936363 QZPCSBOPKJEHHC-UHFFFAOYSA-N 444.377 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1740977291 FWAIBDIBCCFIJO-HSALFYBXSA-N 445.489 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1ncc(C)s1 1748639558 JHWJJUKECRYXNH-HLLBOEOZSA-N 427.549 4.584 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1748724532 DKWRLCJDUSAPBO-HSZRJFAPSA-N 430.600 4.504 30 10 IJEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748840937 NGYHLTRRLZYURC-AUSIDOKSSA-N 443.595 4.729 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1749029278 PZZGXVQMXFXAJN-HXUWFJFHSA-N 436.581 4.817 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1749109833 AEEMPVBNQRKGFM-KBPBESRZSA-N 439.785 4.901 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCCCC1 1749120588 GITKFTLWZAUUML-DNVCBOLYSA-N 448.409 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1749131354 RAAZHFUHJAOICS-CVDCTZTESA-N 439.560 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 1749162705 WBENQWQIQYNDOE-UHFFFAOYSA-N 433.453 4.873 30 10 IJEE C=C(C)COCCn1c(N(C)Cc2ccc(Br)s2)nnc1C(C)(C)C 1749240345 WUUZMNDQKOCTPP-UHFFFAOYSA-N 427.412 4.629 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@@H](C)N2CCCCC2)CC1 1749312441 KMMRZUXIIQLTOH-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1749341202 AVQUCMCYLFKVPI-UHFFFAOYSA-N 437.632 4.717 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(OC(C)C)nc1 1749466167 LTZYFDAYJVGACS-QGZVFWFLSA-N 441.963 4.924 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1749622492 YIUPEGDDLIDPRQ-OAHLLOKOSA-N 449.958 4.665 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2nc(C)no2)CC1 1760145680 SZANITQORIWFFM-IBGZPJMESA-N 448.571 4.524 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCCCCC2)nc1 1760229554 VZMCNZVDTUJBIN-UHFFFAOYSA-N 449.002 4.882 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1760277547 OISRUOFUVXWFHP-QGZVFWFLSA-N 445.514 4.638 30 10 IJEE C#CCSCCn1c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1760286062 ASGUBOQJFBYIBG-FQEVSTJZSA-N 447.048 4.545 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1760301171 UHUVVLCWCOLBBS-XJKSGUPXSA-N 433.350 4.770 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CCOc1cccc(C(F)(F)F)n1 1760336589 CPNRMERITGEXJJ-UHFFFAOYSA-N 425.499 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@@H]1CC 1760336966 BOQZDPVVKORUEV-RBBKRZOGSA-N 437.636 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC2CCOCC2)CC1 1760399782 WMXTVRQOZBWBAM-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1760416157 VQRHQGKEBQLWNM-KRWDZBQOSA-N 446.979 4.502 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1760417281 AOVRWNCERUAIBQ-IFMALSPDSA-N 437.632 4.893 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760426882 HGPDUBNQJVGBBH-OAQYLSRUSA-N 437.613 4.876 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCC2CC(OC(C)(C)C)C2)C1 1760537149 KJWYGOQPKJLAJU-GPJFCIFZSA-N 428.577 4.612 30 10 IJEE COC1CCC(CCn2c(-c3ccccc3Cl)nnc2N2CC[C@](F)(C#N)C2)CC1 1769022664 GEHJCWLYGVHUBL-XWTGJVNOSA-N 431.943 4.636 30 10 IJEE CC(=O)c1c(C)oc(NC(=O)c2cnc3c(c2)c(C)nn3-c2cccc(Cl)c2)c1C#N 1859749013 YSZSCKBDBQLJAM-UHFFFAOYSA-N 433.855 4.610 30 10 IJEE Cc1nc(-c2cccs2)ccc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 1859760084 ARFZEWAANXLGKE-UHFFFAOYSA-N 436.500 4.976 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(OC)c1 1861340652 CFDVUEMIYWWTFG-QHCPKHFHSA-N 428.548 4.652 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)cc1 1862430663 OYLMWHIFBKWVSG-OAQYLSRUSA-N 443.927 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1F)c1cccc(O)c1 1862590481 JRXQOTOAKOTCNE-QHCPKHFHSA-N 431.463 4.742 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCCC)=C(c2ccc(Br)cc2)C1=O 1863196290 FBALGORXBPAYJZ-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(F)(F)F)c2)=C(c2ccccc2OC)C1=O 1863422135 LBUBJXFXQIFQOU-UHFFFAOYSA-N 436.817 4.745 30 10 IJEE C=CCNC1=C(c2cccc3ccccc23)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 1863573293 AAYNKPVTKYXOOA-UHFFFAOYSA-N 436.433 4.914 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)nc1C 1865878851 SROHEMGFZONGHJ-CQSZACIVSA-N 429.929 4.988 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C2=Cc3ccccc3OC2)n(-c2cccc(Cl)c2)n1 1870002013 AAEQVYIXYLDATG-UHFFFAOYSA-N 447.926 4.514 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)COc2ccc(Cl)cc2Cl)cc1 1870145955 XOVDEHIZLPBFNF-UHFFFAOYSA-N 444.322 4.806 30 10 IJEE CCN(CC)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)C 1870232700 GBZPIYABBHAYSI-UHFFFAOYSA-N 427.614 4.672 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1CCCN(CC)CC 1870628880 AHHIWBXUOUVJBG-UHFFFAOYSA-N 437.628 4.642 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCCC1 1870633467 WILBUPLHAQBYEL-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2cc(Cl)ccc2C)cc1=O 1871006684 RGICGLQACCKXOZ-UHFFFAOYSA-N 436.939 4.686 30 10 IJEE Cc1cc(C)cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H]2CCCO2)c1 1871252365 XCZBUQRELYHGJD-VWLOTQADSA-N 443.547 4.707 30 10 IJEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc(O)c2CN1CCC(N2CCCCC2)CC1 1871398600 LEVDZCTXKPSJFX-JLPGSUDCSA-N 436.527 4.598 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O[C@@H](C)C(=O)OC(C)C)c3C)C1=O)cn2C 1871401281 YRLSBSSOLVXRMN-FHLSJSRISA-N 449.503 4.830 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(N(CC)CC)cc2C)[nH]1 1871709671 OQBXEJWSYDBXSL-UHFFFAOYSA-N 437.636 4.828 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872152133 SEBYGDOBEAGPHH-GCJKJVERSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872304174 NTQPMIICTRSEDB-NRFANRHFSA-N 434.989 4.941 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc(Br)c1 1874295384 YSFBPBHIAJQVRN-UDWIEESQSA-N 446.330 4.534 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1O 1874426947 JILZFBJPHJGPNZ-AFUMVMLFSA-N 434.496 4.973 30 10 IJEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874505359 IRBJDBNPTPKNGV-YSURURNPSA-N 443.935 4.883 30 10 IJEE CCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2ccc(C)cc2C)cc1 1874541231 QTHOZMLMDDUESY-AFUMVMLFSA-N 437.569 4.687 30 10 IJEE C[C@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCCO2)c1ccccc1 1874580716 CLIXADDXESKNIH-BPOBUFBUSA-N 443.499 4.610 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCC(=O)OCC(C)C 1874611340 IOMNXTYIYZUYHB-OUKQBFOZSA-N 438.520 4.906 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1874625036 IYLBDZGIHAZTTM-UUILKARUSA-N 434.423 4.956 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OCC(=O)OC 1874637110 JLFDHEUZOMWMBF-FNORWQNLSA-N 439.291 4.849 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 1899555407 IAAPNUOCXDZZEV-NHCUHLMSSA-N 438.549 4.644 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)OC1(C)C 1912655698 XMPRKALTPRJAAK-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C[C@H]1[C@@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(C)(C)CN1Cc1ccccc1 1916977457 BAYCHLFASGORNU-OFVILXPXSA-N 448.460 4.765 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 1922097553 AYLYXFRRYOVVDX-AQNXPRMDSA-N 442.522 4.783 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](CC#N)C1 1984689814 BOFLJHUQIGOJAF-UQBPGWFLSA-N 445.563 4.702 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 1990177329 QPLJGLHDRVLRNO-YADHBBJMSA-N 428.598 4.943 30 10 IJEE C=C(I)COc1c(Br)cc(Cl)cc1CNCC 2021157259 JVNVNHGCSLWMGH-UHFFFAOYSA-N 430.511 4.540 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](C)(O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2082138574 CQXZYKOTWGASRN-ICLZECGLSA-N 446.632 4.572 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2cc(Br)cnc2C#N)(C(C)(C)C)C1 2167613265 KEIZDSUSSGEKKD-HXUWFJFHSA-N 437.382 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Oc2cc(Br)cnc2C#N)(C2CCC2)CC1 2198816344 WJGPNUNIUIYDPS-UHFFFAOYSA-N 436.350 4.664 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](N)C#Cc1ccc(Cl)cc1 2212455220 RYTUZMYLBNJODF-FGZHOGPDSA-N 428.960 4.519 30 10 IJEE C=C([C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221680058 NMDQDZBPBSTXDA-SJORKVTESA-N 428.443 4.679 30 10 IJEE O=C(OCc1ccccc1)N(c1ccccc1F)C(CO)(C(F)(F)F)C(F)(F)F 2227015227 JSUUGNXWFQQFOH-UHFFFAOYSA-N 425.300 4.825 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2c(C)cc(F)cc2Br)C1 2231539738 VEQGHWMDZGXSKQ-UHFFFAOYSA-N 427.314 4.696 30 10 IJEE C#CC1(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC(C)(C)C1 2244940617 ABQYHHHTVDBPBK-XMMPIXPASA-N 444.575 4.858 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2245893434 NDORBTTXRWUCFO-IFXJQAMLSA-N 433.471 4.634 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CC3)ccc2Cl)OC1(C)C 2247898991 JCNLDDYLSXHHGU-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)N(CCC(F)(F)F)Cc3ccccc3)c2)OC1(C)C 2267629245 VNLGEWPTHDSZTR-UHFFFAOYSA-N 448.294 4.972 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@H](O)C#Cc1cccc(Br)c1 2278743724 JMGSIWPYGSAOLT-DLBZAZTESA-N 442.419 4.587 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@H]2CCOC2)c1 2281936192 KFZBBJNOKYLHRR-DEOSSOPVSA-N 449.400 4.541 30 10 IJEE CC1(C)OB(c2ccc3nccc(N4CCC(OCc5ccccc5)CC4)c3c2)OC1(C)C 2285389327 OXGDUTNIAOXXKH-UHFFFAOYSA-N 444.384 4.720 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCc2cc(Br)ccc21 2291118873 FSZVQOXPMYLYSJ-JOCHJYFZSA-N 431.326 4.855 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2296219439 OGOIOKVZGCGKIN-WDSOQIARSA-N 432.358 4.938 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2296291024 KDHURNKWMKXJTD-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE N#Cc1cc(N2CCC[C@H](c3nccnc3Oc3ccc(C(F)(F)F)cc3)C2)ccn1 2296586991 MIYQKGLELMAWPI-HNNXBMFYSA-N 425.414 4.938 30 10 IJEE CCCN[C@@H](C#CC1(SC)CCC1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299652406 VPCQEYVMWHFNHV-FCHUYYIVSA-N 446.657 4.754 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2321993781 AXCRYYGVWWMMCO-UHFFFAOYSA-N 447.462 4.681 30 10 IJEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3nc5ccccc5[nH]3)C4)C2=O)o1 2322416189 YHIVFXRGMSGYAO-UHFFFAOYSA-N 427.460 4.741 30 10 IJEE CCOC(=O)Cc1csc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)n1 2323865467 GLFQLNKIRRJUDP-UHFFFAOYSA-N 429.929 4.927 30 10 IJEE CC(C)COc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324627047 GSQWSXWUFIHEGC-UHFFFAOYSA-N 431.282 4.967 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2325118582 PEKCPCQTUSVYGZ-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)Nc1ccccc1C(=O)O 2325152400 KQMKDTQMWMTIBV-UHFFFAOYSA-N 449.846 4.672 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(C)cc1 2325513688 FVPKFYGUEVAIKF-UHFFFAOYSA-N 426.542 4.873 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1cccs1 2325910235 JUAGDIMAWKQTMF-UHFFFAOYSA-N 443.381 4.582 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(F)cc1 2326191036 YGOXBYCAYVNQRV-UHFFFAOYSA-N 440.544 4.770 30 10 IJEE COc1ccc(OC)c(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SC)c1 2326358161 CXDJMSVMVAPJBF-UHFFFAOYSA-N 440.569 4.528 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1cn(C)c2ccccc12 2326422033 PSOZCUSHYUTTCK-UHFFFAOYSA-N 433.537 4.518 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1[N+](=O)[O-] 2326589560 NAOXRVUZPDSIRI-UHFFFAOYSA-N 425.514 4.685 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(OCCC)cc1 2328298104 NBGUIPBKTKTSPH-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1sccc1C 2330147818 XOUHIHRFGHWMGQ-INIZCTEOSA-N 428.583 4.727 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)cc1 2330971329 UMLGRJHQFIMRPA-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCC(=O)N[C@@H](C)c1ccccc1 2331472579 FVSDGHVBMVJNGP-IBGZPJMESA-N 435.597 4.637 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OC 2331814927 YXOSPXCFZWEYRA-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2)c(C)c1 2332187337 KDNNYEGDBXGPBE-UHFFFAOYSA-N 434.931 4.599 30 10 IJEE O=C(C#Cc1ccccc1Br)c1ccc(Cl)cc1I 2340055882 HJCXBYXVJLLFRJ-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(c3cc(Br)cc(F)c3C#N)C[C@@H]21 2361341311 RGUPMSFCTHFJRZ-UGSOOPFHSA-N 438.341 4.686 30 10 IJEE Cc1cc(CN[C@H]2CCCCCN(Cc3ccccc3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369686458 VDZWSLFQCRAHOG-SANMLTNESA-N 448.460 4.829 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@H](O)C#Cc2ccccc2Br)C1(C)C 2370359839 MHXHRXIAUDICML-ZHALLVOQSA-N 436.390 4.881 30 10 IJEE C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1sc2c(c1C#N)CCC2 23210303 DNZKVHGVZPMLOK-SNVBAGLBSA-N 445.570 4.962 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 33526688 ZAPRFDMZWXZYES-FJIRUFBNSA-N 428.488 4.976 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)/C=C\c1ccccc1 33696758 HHCPWTFUQURIKK-ZYRNGQCSSA-N 442.584 4.950 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1cccc(OC)c1OC)C2=O 34792552 FPTXQRXPYOEYEY-LPYMAVHISA-N 432.428 4.548 30 10 IJEE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814767 GYZJGOLBANCLNB-LGUFXXKBSA-N 434.452 4.910 30 10 IJEE COc1ccc(/C(C)=N\Nc2nnc(SCc3c(C)cc(C)cc3C)[nH]2)cc1OC 59016153 USHLVOJKSOCQEH-JLPGSUDCSA-N 425.558 4.876 30 10 IJEE C=CCSCC(=O)Nc1sc(C(=O)OC2CCCCC2)c(C)c1C(=O)OCC 71555197 ZLKLAXUIWOKRNT-UHFFFAOYSA-N 425.572 4.580 30 10 IJEE C=CCn1nc(SCC(=O)Nc2ccc(F)cc2)nc1-c1ccc(Br)cc1 72261323 FLVRFSUREWGDHF-UHFFFAOYSA-N 447.333 4.764 30 10 IJEE O=C(/C=C\c1ccc(F)cc1)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 104066896 DJMDAQPGKLJILF-MLPAPPSSSA-N 449.463 4.757 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)c1 169939247 RCOVYCCONIMFAN-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccc(O)cc1 169962613 MUBAWDWBXWRKNU-HSZRJFAPSA-N 445.471 4.506 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccs2)cc1 169988503 RDTROUXRIHSXMX-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOC(C)C)c1 170035236 NLFXIYPPYWMOEQ-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc2c(c1)CCO2 170041104 AMGNIMFTDXANMO-JOCHJYFZSA-N 447.874 4.763 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 170062222 RNQXUWZPSIMSDS-XMMPIXPASA-N 431.463 4.936 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1c[nH]c2ccccc12 170077254 ZLCUIOBNUKZINW-RUZDIDTESA-N 437.499 4.660 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(C)o2)cc1 170101414 PKQWODFYSBLYSU-NRFANRHFSA-N 448.431 4.678 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccc(OC)c1 170120451 PCVHHLGYBYIEGU-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170130436 UWKXSDOCUQPMAU-JOCHJYFZSA-N 447.512 4.557 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)c1 170160508 IBDKIZVDBOXJIJ-JLCFBVMHSA-N 447.512 4.868 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccn1)c1ccc(Cl)cc1 170176982 IACXRNHAZFMZBJ-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1C 170241822 RMYHGHQRCOVRSB-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268514 LMBCJLZMVHUPMA-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2C)cc1C 170270673 BQOFKYCNAPMCQX-HSZRJFAPSA-N 437.536 4.624 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)c1 170272061 CXDVRCUQYKOHPE-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)cc1 170285388 FIMJSZDSTLOALR-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)cc1C(C)C 170292858 LRRYUKRWNKAMTM-QHCPKHFHSA-N 446.503 4.894 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccs2)ccc1O 170414458 XSXMQMUKGVCNFQ-LJQANCHMSA-N 441.530 4.692 30 10 IJEE C=CCn1c(Sc2ncnc3c2oc2ccccc23)nnc1[C@H]1COc2ccccc2O1 301080468 JILUHZVWZKRRBF-GOSISDBHSA-N 443.488 4.817 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 518403301 DWTQQFZHDQKCLN-JTSKRJEESA-N 440.494 4.678 30 10 IJEE Cc1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCCCO2)c2ccccc2n1 555491441 RLNIWMGFGBTUTA-LJQANCHMSA-N 430.556 4.501 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccc(C#N)cc1 586160075 KKJCDXRQWQKTRA-UHFFFAOYSA-N 434.561 4.617 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 745179016 GVIYIGNNDNSSRZ-IAGOWNOFSA-N 442.491 4.568 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(CC2CC2)C(=O)N[C@H]1c1cnc(-c2ccccn2)s1 753386833 FKLLBQKQPLPSGW-QFIPXVFZSA-N 444.560 4.990 30 10 IJEE CSCCNC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(Cc2ccccc2)cc1 762441421 XGDCRCXJRKCVSR-UHFFFAOYSA-O 446.621 4.600 30 10 IJEE COc1ccc(-n2c(-c3ccc(C)cc3)nn(CN3CCC(C)(C#N)CC3)c2=S)cc1 779880252 ZAZFNXZJXHQVDQ-UHFFFAOYSA-N 433.581 4.970 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)CCCN1C(=O)OC(C)(C)C 790650530 HMYZHFLDIPPMNC-RUZDIDTESA-N 443.588 4.728 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(Cl)c2OCCOC)CCCN1C(=O)OC(C)(C)C 792527915 CBVBQNZVIPDTMI-QFIPXVFZSA-N 438.952 4.650 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1ccc(Cl)cc1Cl 925043826 ZSIAHRVIYISJAX-UHFFFAOYSA-N 437.226 4.820 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)c1 1125713237 MFTKIGJFEKBIQT-SANMLTNESA-N 446.478 4.545 30 10 IJEE CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(OCc2ccccc2C#N)c1 1125871528 FNHPIXUKCUQDMV-UHFFFAOYSA-N 449.501 4.619 30 10 IJEE C=CCc1ccc(OCC(=O)O[C@H](C)c2ccc(OC)cc2Br)c(OC)c1 1127373517 KHXLVTKEBQECBY-CQSZACIVSA-N 435.314 4.878 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)/C=C/c2ccc(I)o2)C(F)(F)F)cc1 1128866556 MNRBSGPCNGLHKR-XAVKZTDYSA-N 446.162 4.726 30 10 IJEE C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 1129815545 BWOXKSJARILCIW-RYQLBKOJSA-N 427.342 4.788 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CC(F)(F)F)c3ccccc3C)n[nH]2)c1C 1139371975 YNCXVNZYXCNGKZ-LJQANCHMSA-N 431.462 4.808 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)C(C)(C)C 1140137651 KFHBOZQEKRWSBU-DNQXCXABSA-N 445.563 4.914 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 1160808330 NTHAANWPXZVHGU-OCCSQVGLSA-N 436.858 4.991 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C)n1ccc2ccccc2c1=O 1162667640 GGYWKPVUSASJNN-HZPDHXFCSA-N 427.426 4.522 30 10 IJEE N#Cc1sccc1N1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 1171936511 BIHWIQVWKZFVGT-UHFFFAOYSA-N 430.986 4.631 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 1187979750 BOWQOFKQFYERFP-INIZCTEOSA-N 439.968 4.720 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)s1 1208436449 HTRYBXFMLVICOC-UHFFFAOYSA-N 428.501 4.672 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1221032367 RHELZDNNIAYJNE-RBBKRZOGSA-N 445.563 4.904 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCc3nc4cc(Cl)ccc4s3)CC2)c(Cl)c1 1224966524 APJNMGPLGOVGAK-UHFFFAOYSA-N 446.363 4.507 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 1230498900 MYTMDWDPZHWTMF-OKZBNKHCSA-N 437.259 4.998 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1265993992 GCVYJTOXQNKSBN-CRICUBBOSA-N 444.547 4.585 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)C(F)(F)F)cc1 1272452560 ARXVZCPFUUOFAY-WMZOPIPTSA-N 425.765 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCS1 1286282487 QXAKIMDVCWKHNP-NVXWUHKLSA-N 433.419 4.760 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1286453771 WTMRIKWQDXGIOW-XXBNENTESA-N 441.595 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(F)(F)F 1286552994 OXIBIQVPAIUSLX-RKVPGOIHSA-N 442.457 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1286569588 VQNNYKWJMLGODB-CPJSRVTESA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](Cc1ccccc1)OC 1286583915 UPPYYNSRRQAART-DNVJHFABSA-N 440.632 4.857 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1286600423 MTYPMGHNQUTOSD-KRWDZBQOSA-N 434.531 4.710 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1286604079 OEIAEPJCCBHIIE-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(O)(CCC)CCC)CC1 1286659125 KQMAKCRQTNMLIP-UHFFFAOYSA-N 432.559 4.881 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)NC(C)(C)C 1286666931 HGHNWBAUZRGOPA-UHFFFAOYSA-N 435.975 4.691 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C 1286750431 AJXRNHJCJUSGCD-GMAHTHKFSA-N 437.632 4.647 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CCOC)Cc1ccccc1 1286772364 ZYHXZEUJTPFQCP-UHFFFAOYSA-N 433.375 4.608 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)C1CCCCC1 1286783638 XPTPHDUWDGVYFD-UHFFFAOYSA-N 436.387 4.713 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCSC(CC)(CC)C1 1286799639 YBRDBHCBEPUNGR-OAQYLSRUSA-N 442.629 4.855 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCc2ccc(Cl)s2)C1 1286804589 MURDIJWVSOEZAM-OAHLLOKOSA-N 432.952 4.823 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C#N)c(F)cc2F)nnc1-c1ccc(Cl)cc1 1288003793 WOQGKZIYLWXFGF-UHFFFAOYSA-N 445.882 4.665 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2nc3ccccc3n2CC)CCCN1C(=O)OC(C)(C)C 1293003641 FZMZDTFTONSIER-OSPHWJPCSA-N 426.561 4.579 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@](C)(OC)CC2)CCCCC1 1299754541 FBRMYRPZXZLNQM-DEOSSOPVSA-N 437.588 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1(COC)CCCC1 1300275769 ZUVSTSJLOZHUAL-RBUKOAKNSA-N 428.552 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C2CC2)cs1 1300285216 YNEFFYAHWXKHDG-ZDUSSCGKSA-N 442.386 4.548 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](OCC=C)C1 1300385409 AKJGOTHBLDOMTG-FQEVSTJZSA-N 433.581 4.572 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1300422290 JSNRSTYDEYEQQH-WOJBJXKFSA-N 430.980 4.564 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1CC 1300511700 BOUKETWDWYDCKQ-PKOBYXMFSA-N 425.374 4.607 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(OC(C)(C)C)CC1 1300740827 FNVUEDKYGIIFRE-JOCHJYFZSA-N 440.657 4.970 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CCCCC1 1300870487 SSVRSQDTEKDWMV-DENIHFKCSA-N 439.560 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301143700 OJRXXOQPLPDBAR-OYRHEFFESA-N 426.605 4.695 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)N(C)C1CC1 1301280826 WYZZXSNXAJGMGX-MRXNPFEDSA-N 425.577 4.918 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1301371798 GKTTUINGMWCARQ-IYWMVGAKSA-N 428.552 4.939 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(Cl)nc1 1301416107 BFIYLSBQHAPYRI-UHFFFAOYSA-N 448.958 4.537 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1301620191 CPIKURCUPXOQJO-KDURUIRLSA-N 444.645 4.687 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C1CCCC1 1301981018 HYNDGWWCBXKGNH-KRWDZBQOSA-N 447.052 4.694 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@@H](O)C2)CC1 1303009054 DCZNWXGCDJIJQS-FUHWJXTLSA-N 448.398 4.933 30 10 IJEE CCOc1ccc(NC(=O)c2ccc(NC(=O)COc3cc(Cl)ccc3C#N)cc2)cc1 1307319045 CPHGIFQSOLJEIQ-UHFFFAOYSA-N 449.894 4.880 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(Cc2cccc(Br)c2)C2CC2)cc1C 1307440113 GQSIPVFHHFFTCZ-UHFFFAOYSA-N 440.385 4.977 30 10 IJEE C#CCN(Cc1ccc(F)cc1)Cc1coc(-c2ccc(I)cc2)n1 1307444881 LZSPNLLDFIMUCI-UHFFFAOYSA-N 446.263 4.721 30 10 IJEE C=CCC[C@H](NC(=O)N(CC)[C@@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1 1312342412 NXFLNDYNGHMAHB-YJBOKZPZSA-N 434.524 4.567 30 10 IJEE C#C[C@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12)C(C)C 1312808010 JJBPZWJULTVXPD-KRWDZBQOSA-N 432.421 4.616 30 10 IJEE C=CCN(C(=O)c1cn(CCOC)nn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1350741037 IMMAHGPBWNEJEB-UHFFFAOYSA-N 445.548 4.548 30 10 IJEE CC(C)(C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(-c2ccccc2)cc1 1357644092 GAEWCBKNAWYSNS-UHFFFAOYSA-N 427.523 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)CN1CCCCC1 1358877716 JRVTVQPGXRPTDG-AABGKKOBSA-N 439.673 4.711 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC1CC(OC(C)(C)C)C1 1358891408 FYSMPDZBUQWDMQ-AOCRQIFASA-N 430.543 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(CC)s1 1359067258 GVDWUJJRZKIQHC-XMMPIXPASA-N 436.581 4.627 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)C1CCCC1 1359094907 HNBWUMJGIDVIIN-WMZHIEFXSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccccc1F 1359098365 AJHQBMCDPSSCBQ-PGRDOPGGSA-N 430.568 4.502 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359117491 CPOUAZGELMMNIC-LEWJYISDSA-N 433.556 4.664 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1359122871 DDONJGZPRFGVEZ-UHFFFAOYSA-N 439.429 4.531 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1359136598 PAYUBHUPHOWVOZ-RTBURBONSA-N 432.659 4.802 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359200765 QEFRMCGHJIOZJC-FQEVSTJZSA-N 437.567 4.565 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1359262927 JXXMJOUWKYFCOP-RTBURBONSA-N 443.661 4.688 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1ccnc(OCC(F)(F)F)c1 1359269691 LXJNXYQYKBXVOC-UHFFFAOYSA-N 447.436 4.647 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](OC)C1 1359337692 XYOPWLRAMPAXLL-VQIMIIECSA-N 437.009 4.606 30 10 IJEE C=CCc1cc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc(OC)c1OC 1361193537 WHGCQFRKPCQRAN-QGZVFWFLSA-N 428.960 4.605 30 10 IJEE N#C[C@@H](CCc1ccccc1)C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 1443538142 CAUFSZCJNCKXHT-OAQYLSRUSA-N 438.531 4.988 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)CC[C@H]2C)c1 1456865726 QASHTCCCSIHHJZ-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1458268164 OGVPETPDDSQUFQ-YIONKMFJSA-N 438.341 4.827 30 10 IJEE C#CCN(Cc1cc(C)nc2c1CCCC2)[C@H]1CCOc2ccc(Br)cc21 1461986291 DBIRAPKMJQBXCP-QFIPXVFZSA-N 425.370 4.990 30 10 IJEE C=CC1(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CN(C(=O)OC(C)(C)C)C1 1463846824 NDNZBQSNJGPNMA-UHFFFAOYSA-N 428.529 4.870 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1 1466788085 AQUXKVLLAQWXPJ-IBGZPJMESA-N 430.524 4.587 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 1466816805 ONVAOSZLDJPDRN-SRGMZFCMSA-N 437.359 4.634 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 1469837445 RZWNXBMWCKEIFS-MSOLQXFVSA-N 440.943 4.629 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1F 1470666327 LUXSOQOFSZLLIM-RRZZWSPOSA-N 439.962 4.753 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1471074266 IOKWHZVATLDLPT-QHCPKHFHSA-N 437.584 4.910 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](CO)c3ccccc3C(F)(F)F)c2)c1 1472030778 GUYCRKSZRQRYDO-QFIPXVFZSA-N 440.421 4.619 30 10 IJEE C=CCOc1ccc(CN(Cc2nc(N)nc(Nc3ccccc3C)n2)C(C)(C)C)cc1 1473265029 KWGIMJSFBYDERT-UHFFFAOYSA-N 432.572 4.871 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1477257031 IXWQCSRSNHZTNR-HKBOAZHASA-N 446.016 4.534 30 10 IJEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC2CCCC2)cc1 1492467377 CVSZUBCCGHDLTR-FQEVSTJZSA-N 425.602 4.578 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)OC 1494987216 CBPNXKTXIAZGFR-ZYSHUDEJSA-N 435.494 4.657 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCCCOC 1507641669 JFVMWPJXVGZHJU-UHFFFAOYSA-N 426.973 4.703 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccco1 1507748952 RVRKDLQMGZUZRT-UHFFFAOYSA-N 426.611 4.871 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)[C@H](C)CC 1507764619 RWUAXSMSRATUSI-OSWQYVSFSA-N 439.673 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1507796775 JQLJGWIJVNHWAW-RDBAUFEQSA-N 441.447 4.868 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](CC)C1)c1ccccc1 1507851547 RMZCBIZLLYLJFQ-HXUWFJFHSA-N 425.627 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)NC)CC1 1507912976 SDHDFBOMLXIZLG-UHFFFAOYSA-N 429.996 4.553 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC(C)(C)OCC 1507999776 PLVKMGJIGPVFLS-UHFFFAOYSA-N 430.556 4.528 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CC1(O)CCCCC1 1508007378 BABGKGQBILJBTI-UHFFFAOYSA-N 440.588 4.957 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1508050443 FCAFTWLNYDFGGI-ZBFHGGJFSA-N 437.357 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCCC)C1 1508114425 AOMGZBMQKWJOBQ-CQSZACIVSA-N 425.396 4.741 30 10 IJEE N#Cc1c(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)sc2c1CCCCCC2 1516938215 CNRTYZGEALQTRR-UHFFFAOYSA-N 438.528 4.535 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCCc1cccc(OCc2ccccc2)c1 1519444906 ICMGPMVFYSXAJT-UHFFFAOYSA-N 435.321 4.872 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 1519589899 KYCUNOBRLNDPIH-HNAYVOBHSA-N 429.446 4.744 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1519727744 FDZBPQXKRXBJRZ-GAJHUEQPSA-N 434.964 4.666 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 1525853117 YDEWTVXZKWZYKO-GTNSWQLSSA-N 427.762 4.844 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1ccc(F)cc1 1528047887 PQQFUGYKOPDQIZ-LJQANCHMSA-N 425.257 4.880 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1528080223 HCAFXBKZMNYYHL-SFHVURJKSA-N 429.314 4.900 30 10 IJEE C#CCSc1ccc(COC(=O)c2cnc(Br)c(Br)c2)cc1 1529135511 MBZTUNFSQQLFDM-UHFFFAOYSA-N 441.144 4.689 30 10 IJEE C#Cc1cccc(N(CC)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 1530149254 OIHVYLKBMGCTQT-WMZHIEFXSA-N 436.552 4.519 30 10 IJEE C=CCO[C@H]1CCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2CCCC)C1 1534784488 ILWCVYAGRMYRNZ-INIZCTEOSA-N 441.519 4.751 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1COc2cc(OC)ccc21 1536695158 SWECYDHMPOJGOK-OAHLLOKOSA-N 434.305 4.678 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1538889965 HNPDZJKHBRHCIY-FHWLQOOXSA-N 426.479 4.875 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1csc(CC)n1 1538984056 AKXKVEIVUBLKCR-AWEZNQCLSA-N 444.402 4.541 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1c(CC)noc1C 1539030840 UMIYSJIGAQADJP-GOSISDBHSA-N 435.572 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1 1539034522 FPEWHCXNBHUDJF-CABCVRRESA-N 432.018 4.942 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1nccn1C(F)F 1539161470 MDWIYXXJFLSGLR-UHFFFAOYSA-N 442.470 4.522 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(OC)CCCCC1 1539403635 VLWNIYMNOYORML-UHFFFAOYSA-N 438.616 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1OCCC1(C)C 1539677443 CLTQLMUDAUVIAR-FQEVSTJZSA-N 430.618 4.797 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C(C)(C)C)no1)C1CC1 1540113733 BXLUVLQHMAUJQC-UHFFFAOYSA-N 435.572 4.963 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1ncc(C)s1 1540147992 YOJZZLJGPHXILE-AEFFLSMTSA-N 443.642 4.995 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C1CC(C(C)(C)C)C1 1540188972 DPHGBKNUVHWGMS-UHFFFAOYSA-N 436.604 4.965 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 1542649340 FMOKKABNTQLAQR-UHFFFAOYSA-N 440.124 4.591 30 10 IJEE Cc1cc(C)cc(C2=CCN(C(=O)COc3cccc(Br)c3C#N)CC2)c1 1544762051 CWEUHJAGLFXBSG-UHFFFAOYSA-N 425.326 4.632 30 10 IJEE CSC1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(C#N)CC2)CC1 1555868880 IDLFRWUDHZBQRM-UHFFFAOYSA-N 439.629 4.790 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 1561535223 KUCHNIIHHDDHBC-IBGZPJMESA-N 435.973 4.522 30 10 IJEE CC(C)(C)c1csc(NC(=O)N[C@](C)(CO)c2cccc(C(F)(F)F)c2)c1C#N 1562850891 DYFSEADGHFKZPJ-LJQANCHMSA-N 425.476 4.965 30 10 IJEE C#C[C@H](CCC)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1584714360 KECWSGXGAIQEIW-HXUWFJFHSA-N 436.353 4.762 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Br)c1ccc(Cl)cc1F 1584727634 SYUIXGUSPVREAC-QFYYESIMSA-N 428.660 4.639 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1CCC 1587562830 UGIPIJPHCUZKQE-MDNUFGMLSA-N 437.632 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1587563122 XVPQJFXSOLCQSO-IQQIVJJCSA-N 440.588 4.622 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1589503496 DPVSUALYADCWDC-YTXYEVPYSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cscn1 1589515196 MALSDNYVZTUSDJ-HNAYVOBHSA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1589657859 MLGYHYGOZZQHKL-LJQANCHMSA-N 435.613 4.569 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCOC(C)C)CC1 1594430067 HNLZKDBERZHGNT-UHFFFAOYSA-N 439.387 4.991 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1594709064 HQBMINJCIYIVIQ-HXUWFJFHSA-N 445.489 4.847 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCCC1(C)C)C1CC1 1595065018 GTFLPOHUZUMBSD-HSZRJFAPSA-N 430.980 4.607 30 10 IJEE C=CCC(CC=C)C(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1611109729 FDQRKWLSMFPXBL-NHCUHLMSSA-N 440.584 4.911 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1611110488 PYHPDDUPCIUNOG-AQNXPRMDSA-N 428.573 4.745 30 10 IJEE CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1614162658 CBZHDBVODOXKQM-FQEVSTJZSA-N 434.544 4.547 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC2(OC)CCC2)C1 1617472673 FYFRGJABRNHJDK-LEWJYISDSA-N 439.629 4.886 30 10 IJEE C=CCC[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 1620642352 RJXPPTBLIQNVRJ-QPPBQGQZSA-N 431.580 4.855 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCN2CCc3ccccc32)cc1 1623012185 HNDNWOIPRMIHJP-UHFFFAOYSA-N 428.492 4.543 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCOc1ccccc1Cl 1625538302 GMZVDHIZPXABGP-UHFFFAOYSA-N 425.710 4.868 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)C1 1628819834 BRMXUJYJSPFUDC-GOSISDBHSA-N 436.556 4.980 30 10 IJEE Cc1ccc(OCCC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(Br)c1 1629718822 DHGMYBJMFBGZSV-QUCCMNQESA-N 427.342 4.825 30 10 IJEE C=CCCC[C@@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)c1ccccc1 1630866170 NFBGDTFGLKLYHQ-HXUWFJFHSA-N 444.373 4.576 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CC3CCCC3)c3ccccc3)ccc2c1=O 1632322364 WJCAVNNWHYNFNQ-OAQYLSRUSA-N 433.577 4.923 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](CC)C2)c1 1635587297 UIAPKWXINQHJOR-QGZVFWFLSA-N 432.973 4.593 30 10 IJEE C=CCONC(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 1635640758 NENACPXBTPCOPH-LGMDPLHJSA-N 446.503 4.595 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(CSc2nccn2C)c1)c1ccc(Br)cc1 1636541358 FACAENAPLZWPTM-LJQANCHMSA-N 440.366 4.579 30 10 IJEE C#C[C@H](NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1ccc(Cl)cc1 1636553053 XGXWQCIBWBGVCN-NRFANRHFSA-N 427.335 4.776 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 1640066762 XFKSRAZZVDOHBW-QGZVFWFLSA-N 438.549 4.574 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1641910125 KNLHMKRYKDMGRH-INIZCTEOSA-N 425.337 4.585 30 10 IJEE C#CCN(CC#CC)CC(=O)N(CC=C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1644704576 SHPOBRXNKOVLRH-UHFFFAOYSA-N 432.376 4.594 30 10 IJEE C[C@H]1CCc2c(sc3nc(CCC(=O)N(O)Cc4ccccc4Cl)nc(O)c23)C1 1649041377 RMLOZXSPFUSZPW-LBPRGKRZSA-N 431.945 4.526 30 10 IJEE C=CCn1c(SCc2nccn2CC(F)F)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540252 KVFZZSRAYAPXBM-LBPRGKRZSA-N 436.553 4.523 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)cs2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540407 OTRAZYOERHIUTH-LBPRGKRZSA-N 446.619 4.909 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1cccc(OC)c1 1651851381 ZBXCHBLDVGTSLM-OAQYLSRUSA-N 436.581 4.919 30 10 IJEE C=C(C)Cn1c(SCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccncc1 1652706335 AALFDCQVLQKHDG-QGZVFWFLSA-N 429.590 4.655 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN(CCc2c(F)cccc2Cl)CC1 1653176613 HVUWRKSQTVSZGV-HXUWFJFHSA-N 436.756 4.667 30 10 IJEE COc1ccc([C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C2CC2)cc1 1653890638 HVZPOEFFYAKABA-VWLOTQADSA-N 446.526 4.793 30 10 IJEE COc1ccc(C#N)cc1CN(Cc1ccc(C)cc1Br)C[C@H]1CCCO1 1654319494 DFUHXMLICMBQNX-HXUWFJFHSA-N 429.358 4.819 30 10 IJEE C=CCOc1ccc(CNc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1OC 1657037821 XYHNLLPMDLYAPP-UHFFFAOYSA-N 436.474 4.723 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 1659230694 WEEXZLUTJXDHAV-OAQYLSRUSA-N 441.572 4.780 30 10 IJEE N#Cc1cc(S(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)ccc1C(F)(F)F 1660702544 BNFLNPRPGATYPV-UHFFFAOYSA-N 442.462 4.940 30 10 IJEE O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 1665888382 BNIOPWCDSVSKGT-CYBMUJFWSA-N 448.335 4.901 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@H]2C[C@H](OCC)C23CCCCC3)cc1 1667589567 KZFKPWSWMNMWLU-VXKWHMMOSA-N 427.589 4.974 30 10 IJEE C=CCCCCNC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 1668188616 PMGPFHPGPKSKHP-UHFFFAOYSA-N 427.570 4.674 30 10 IJEE C[C@@H](NC(=O)NCc1cccc2c1OCCCO2)c1ccc(-c2cccc(C#N)c2)cc1 1670324924 FPPBYKJMLLJQJN-GOSISDBHSA-N 427.504 4.947 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1cccc(C)c1)c1ccccn1)c1ccc(Br)cc1 1671240918 UEFPUYXJXBHOSC-IFMALSPDSA-N 434.337 4.916 30 10 IJEE Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1S(=O)(=O)C1CCCC1 1672118988 GJSAIZABESMLMQ-UHFFFAOYSA-N 437.565 4.780 30 10 IJEE C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1673085074 HKTXKQFYXFYPAJ-CLOONOSVSA-N 443.588 4.791 30 10 IJEE N#CCc1ccnc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1 1673992082 CAWWCONCYRXKAS-DEOSSOPVSA-N 445.954 4.740 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1674395529 OSSBNIPOOSUMEO-QHCPKHFHSA-N 431.561 4.843 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](c3ccccc3OC)N3CCCCC3)cc21 1674679131 CBQVNUBEESUZRW-HSZRJFAPSA-N 433.556 4.580 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC)c1ccc(F)cc1 1676068087 AUHDMHFTCZRXMT-NHCUHLMSSA-N 435.465 4.901 30 10 IJEE Cc1nc(NC(=O)N2CCC[C@](C)(C#N)C2)sc1Cc1cccc(Br)c1 1677552166 CGOJMUHQVLPQRD-LJQANCHMSA-N 433.375 4.962 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1680716557 DLVHFGOWQUBDAX-CVDCTZTESA-N 437.531 4.918 30 10 IJEE C=CCCC[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)c1ccccc1 1682943377 WZZGPIHRBYXGSF-HXUWFJFHSA-N 444.373 4.576 30 10 IJEE C#C[C@H](NC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1683502825 WBSISCDIBVPGPB-NRFANRHFSA-N 445.991 4.835 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 1684428182 BZJGFQNGEPDTAZ-NMIHRBCNSA-N 440.588 4.551 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC=C(C)CC1 1690226847 OCFPGHCAPVTGBR-UHFFFAOYSA-N 426.318 4.665 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cc(Cl)ccn1 1690306997 LXGJYCZZPZXJQF-UHFFFAOYSA-N 448.958 4.771 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1690337112 DJQNVNVSHPNXGI-HSZRJFAPSA-N 448.995 4.890 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(Cl)c(OCC)c(OC)c1)C1CC1 1690542247 HWFQZTFEMXZXBQ-UHFFFAOYSA-N 427.936 4.537 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1)C1CC1 1690545368 PIBNMDQYLLOMFO-QHCPKHFHSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1cccc(C(=O)NC)c1 1690577314 GNMQKHGUHUGDOA-UHFFFAOYSA-N 437.613 4.529 30 10 IJEE CN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1696744735 ARBNOYUPEOATNS-UHFFFAOYSA-N 441.988 4.923 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC(C)(C)C1 1696747715 AXEGKCZKNQRMCJ-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](COC)C1 1705521546 DVKMPZUHFYANLK-GOSISDBHSA-N 433.021 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1cccc(CN(CC)CC)c1 1705676111 NABJZNOLFFGAPJ-AREMUKBSSA-N 447.652 4.813 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC=C(C)C1 1705695598 IYMBYRRXXZULKK-AZUAARDMSA-N 443.389 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705720947 SWCWZEQPWDSOLV-KAOXLYBCSA-N 445.696 4.967 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N(C)Cc1cc(Cl)ccn1 1705759213 KYYPQWIQAGEHOD-UHFFFAOYSA-N 448.354 4.693 30 10 IJEE C=CCCCCn1c(N2CCC(F)(F)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705809483 SHZFJJLWYACQKK-CALCHBBNSA-N 439.551 4.641 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cc(Br)cs1 1705888564 GLENCHDYLYDASU-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCN(C(C)C)C1 1722282229 PNLOPPAWXJGLOV-SLFFLAALSA-N 439.673 4.710 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1csc(CC)n1 1722321895 DALDSIFNOKQOHE-UYAOXDASSA-N 429.634 4.656 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722330912 QXBNZEJFUGJQRU-OALUTQOASA-N 445.405 4.761 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cc(C(C)(C)C)no1 1722362244 ODONFEODFQROFL-UHFFFAOYSA-N 429.977 4.627 30 10 IJEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722424966 GWKYMYDERVEGRK-SJORKVTESA-N 445.489 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1722465943 GGGZZKNPWLJKJY-JEYPMZLKSA-N 433.644 4.868 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)C1 1722495889 IIPJEAHBFBACMV-RFWXGWTQSA-N 430.980 4.585 30 10 IJEE C=C(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC)c1ccccc1 1722540586 FMWXXRJUETVBOT-FQEVSTJZSA-N 425.577 4.910 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2csc(COC)n2)CC1 1722569586 GFNXYWOMSZMPBH-UHFFFAOYSA-N 441.626 4.686 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722587714 YCKOQHPGOCXEQG-GOSISDBHSA-N 444.023 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722589888 YPNJMSIWMMNYOR-KRWDZBQOSA-N 427.559 4.686 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](OC)C(C)(C)C1 1722600992 SYJJRPDRGPISOC-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccco1 1722626474 FAZPBVHZKGXPEN-SVFBPWRDSA-N 428.577 4.724 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1cnc(C)s1 1722658850 MNOFUKXIIDQIHT-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCC3(CCOCC3)C2)cc1 1722704472 IMCSTCKJKRSGTR-UHFFFAOYSA-N 438.616 4.877 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1722742585 YKMSDFJCFFKVBC-VQIMIIECSA-N 446.667 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Sc1ccccc1 1740563898 XOTPMTWNUSKMRZ-VURPSTOHSA-N 426.630 4.835 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1nccs1 1740650180 RKYGGLKQZGQHHP-LJQANCHMSA-N 431.609 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1sc(C)nc1C 1740726202 ZGUQEOOZMPRBIW-QMHKHESXSA-N 439.560 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740761952 ZZKUBVOJHFBACD-JQVVWYNYSA-N 443.661 4.861 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H](C)C1)c1ccccc1 1740797002 IFBXKNZMTWDCDX-HUUCEWRRSA-N 426.362 4.841 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C1CCC2(CC1)OCCO2 1740802571 AUGUZUIDUGICKR-FQEVSTJZSA-N 430.980 4.694 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1cccc(O)c1)C1CC1 1740906127 DCVNUUCUJLIDLS-UHFFFAOYSA-N 431.359 4.678 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCc2nccn2C1 1740926051 QOTNHJCUBFQTFP-FCHUYYIVSA-N 446.599 4.672 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)cc1F 1740937295 DRASMUGJGYSLKR-SFHVURJKSA-N 444.938 4.841 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1csc2ccccc12 1740942464 QNYYDMUTXVOOGV-UHFFFAOYSA-N 439.610 4.536 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H](OC)C(F)(F)F 1748655142 RVRGPSVSCHRHKG-ABAIWWIYSA-N 435.277 4.677 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCC(F)(F)F 1748867560 JEGPUWIKUXCXNA-LJQANCHMSA-N 432.490 4.840 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(O)cc1 1748882593 YBTYEQINMOOMOD-IBGZPJMESA-N 444.604 4.543 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC=C(C)C1 1749044652 UAMUROCAKGRDNX-UHFFFAOYSA-N 445.032 4.774 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1749124964 RWMPGWYNWKIVOK-OPYAIIAOSA-N 430.593 4.787 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCC2)CC1 1749391262 RVHCMAFXJHMNEC-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1749398218 AGPZRIDADMAFOI-HNNXBMFYSA-N 443.498 4.838 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1749525035 FKBNIJWEWITNKK-FGZHOGPDSA-N 435.660 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCn1cc(Cl)cn1 1749563435 HBUZLVUDGAZNPW-INIZCTEOSA-N 443.020 4.860 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1749591241 OQUYXXBIHGZLCS-RCZVLFRGSA-N 426.605 4.900 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1749613718 GLLKCOVUCWGWRA-PZJWPPBQSA-N 437.632 4.950 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(F)(F)F)cc1 1749684300 VXWIVWQKBIVDNT-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N(C)C2CC2)C1 1749700370 JXEWMIANTVSTBU-XXBNENTESA-N 437.632 4.507 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1760130822 MPIOZIKQRKAUMY-ZWKOTPCHSA-N 429.634 4.927 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC(n2ncc3ccccc32)CC1 1760300319 DQFSCZRGIHAULK-HNNXBMFYSA-N 443.393 4.891 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760340592 GBAJSQSXHVHDTR-NFBKMPQASA-N 439.648 4.997 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760351600 JKMKCRGSQFTSOK-NHCUHLMSSA-N 439.648 4.754 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCCCO2)CC1 1760399555 QQHOQBJRHPJPQX-OAQYLSRUSA-N 440.588 4.714 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC=CCC1)C(C)C 1760490393 WMNZSXIHLWWRFV-RUZDIDTESA-N 444.627 4.902 30 10 IJEE CC(C)(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCN1CCCCCC1 1760745603 BLIPRQFIISTNOL-UHFFFAOYSA-N 446.643 4.908 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1)C1CCCC1 1766441654 HSVCNIQIDGLGLN-UHFFFAOYSA-N 435.601 4.783 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CC[C@](C)(CC)O1 1772522890 DSYJEYPYKNBKEN-QFWMQHCXSA-N 442.991 4.947 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCSC(F)(F)F 1772522922 WJSOICXHEHHPRY-GOSISDBHSA-N 444.910 4.852 30 10 IJEE CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772761611 BAPYZQIJTDILHF-RJBZNRNUSA-N 428.897 4.837 30 10 IJEE CCOc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 1857806743 ICBSEDPLIUTUBA-YUMHPJSZSA-N 441.560 4.772 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cnc(-c3ccccc3)s2)nc2ccccc12 1859749956 CMQALFODTODFAH-UHFFFAOYSA-N 436.500 4.976 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)COc1ccc(CCC)cc1 1861655899 IYPSEFOGMUJOKZ-JOCHJYFZSA-N 436.662 4.733 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862414603 DITUKWSLCDVTDZ-HXUWFJFHSA-N 441.430 4.574 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCN2CCCC2)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429432 MTMZGXRVBGENBL-JOCHJYFZSA-N 438.955 4.794 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 1862475983 YNQYXGYIRGMIID-QHCPKHFHSA-N 427.456 4.502 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2C(=O)O)cc1 1862477314 KQUWLXSBQQMZDK-QHCPKHFHSA-N 441.483 4.514 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 1862501629 GVICWQSNWJAMTR-QHCPKHFHSA-N 438.543 4.617 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc(Cl)c1 1862569234 IGORWPPIPJRWSD-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cccc(Cl)c2)cc1 1862618134 QBVHXJJGZCOIHW-FQEVSTJZSA-N 427.928 4.598 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C(=O)O 1862679130 VVXRRWOUFHHAKR-IVZQSRNASA-N 445.446 4.863 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)cc1OCC 1862684219 RRDALTXHCFITRM-QFIPXVFZSA-N 441.499 5.000 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4cccnc34)C2=O)cc1 1862954171 ZWPTZMACVNVMGO-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1863210601 FYGOBTSGNCPWJQ-SFHVURJKSA-N 437.499 4.910 30 10 IJEE CCc1cccc2c(=O)c(C(=O)Nc3ccc(C#N)cc3C(=O)c3cccc(C)c3)c[nH]c12 1866416449 URXYTUXJIXUXKE-UHFFFAOYSA-N 435.483 4.754 30 10 IJEE CCCCCCOc1ccc(C(=O)NC(C)(C)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc1 1867564570 GTEMRKMUTBKONG-QHCPKHFHSA-N 435.568 4.844 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2C[C@@H](C)Cc3cc(OC)ccc32)n1 1868267359 MYMCVTUKFZEKAA-KRWDZBQOSA-N 429.524 4.620 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)c1ccccc1 1868639455 NKJWEVMCHBAGRO-RUZDIDTESA-N 443.547 4.559 30 10 IJEE C=CCOc1cn(CCCCc2ccccc2)c(CN2CCc3ccccc3C2)cc1=O 1870385089 HQKVFMATEGPYFL-UHFFFAOYSA-N 428.576 4.994 30 10 IJEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870809413 BGLFMIUONUHGAS-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(CCCCN(C)C)CO4)C2=O)c2ccccc21 1871349624 ZTVMBYJESQOMGF-MYYYXRDXSA-N 445.563 4.771 30 10 IJEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871427512 HZGOAUMNBKHXEX-OCKHKDLRSA-N 445.309 4.952 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2C1=O 1871447687 BQIXTMLGKVWHRE-GEWRUKCFSA-N 444.443 4.925 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N(CC)CC)n1 1871481708 OZOIDAJLKOKUNG-UHFFFAOYSA-N 427.597 4.614 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)nc(Nc2ccc(Cl)cc2)[nH]1 1871522891 WTVSBQQUDHSUPB-UHFFFAOYSA-N 434.975 4.832 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871891615 SXAGVGJUGMNYHW-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1cccs1 1872142032 GAGLPTQPZQMESV-KRWDZBQOSA-N 441.578 4.696 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872270075 PHKKOSKYZJQWKC-HXUWFJFHSA-N 438.952 4.690 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760103 HKGDGWNRKWCBRQ-FQEVSTJZSA-N 449.963 4.949 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCCCOCCCC)cc2[nH]1 1872808275 WHJFKTNASURHAN-UHFFFAOYSA-N 437.540 4.643 30 10 IJEE C=CCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276692 QFLSBKVZGKUSQS-UHFFFAOYSA-N 439.471 4.948 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1c(C(=O)O)[nH]c2ccc(C)cc12 1873501361 RZHAAMAJVMDAND-ZMOGYAJESA-N 433.537 4.893 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873661166 ZNINZICGEHWZDO-UHFFFAOYSA-N 436.519 4.987 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(SCCO)n1/N=C/c1ccccc1Cl 1874227662 WBGMZQUSPJHVQB-BUVRLJJBSA-N 444.988 4.527 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1c(F)cccc1Cl 1874293795 VHNRTEOTSHXUHE-FSJBWODESA-N 432.908 4.819 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)c1 1874309769 MXKXNMBVSOXJQZ-CVKSISIWSA-N 435.528 4.714 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccnc1 1874313577 BHFAGWLEKHISLE-ZXVVBBHZSA-N 443.576 4.684 30 10 IJEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1O 1874438607 JMULBYITNFPOMX-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccncc2)c1 1874452686 IHFAEBSCKHSMNN-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1-c1ccco1 1874467488 LCBXQFNWAIFWBB-YDZHTSKRSA-N 442.541 4.500 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(Cl)cc2)o1 1874481644 HFVMQYFGXYDQNP-SSDVNMTOSA-N 432.933 4.783 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc(Cl)c1 1874483958 WNXGJCKLELBJLN-WYMPLXKRSA-N 445.951 4.981 30 10 IJEE C=C(C)CSc1nnc(C(C)C)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874513117 IFBXYMUSBKNPSX-AWQFTUOYSA-N 439.379 4.819 30 10 IJEE OCCSc1nnc(C2CC2)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874523604 XFXQGFHFJYUDOD-WGOQTCKBSA-N 444.560 4.854 30 10 IJEE Cc1ccc(C)c(OCc2nnc(S)n2/N=C/c2ccc(Br)cc2)c1C 1874566745 LXXLSYMRZFBZBC-UFFVCSGVSA-N 431.359 4.716 30 10 IJEE CCCOc1c(/C=N/n2c(S)nnc2CCCOc2ccccc2C)cccc1OC 1874567270 OCQKVSLXEKNEKH-LFVJCYFKSA-N 440.569 4.566 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)c1 1874605515 SDJPMDHVHMIZLZ-ZRDIBKRKSA-N 435.907 4.940 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)cc2)c(OCC)c1 1875177677 HKJQKOYJFDPHFZ-MDWZMJQESA-N 432.476 4.698 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCCC1)n2CCOC 1875225855 KXNKIEZCZZEZMG-UHFFFAOYSA-N 429.609 4.866 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C)ccc3Br)cc21 1890478348 NEYJBOJRVMAMQO-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 1950068428 GWCBHVLKBVGOKT-HOSQHVHZSA-N 431.508 4.859 30 10 IJEE CC1(C)C[C@]1(C[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952414314 FFHHGAWWKMZFCC-OYLFLEFRSA-N 425.550 4.715 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1965443284 OJGDHTRVLTZXKK-RNVDEAKXSA-N 444.575 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 1983328911 DABHBBCUIQJSFR-LVCYWYKZSA-N 428.495 4.522 30 10 IJEE Cc1cc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2060621090 JUZADIBGGHHKFY-UHFFFAOYSA-N 430.354 4.697 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cccc(Br)c2Cl)NC)C1 2077085661 LGPVRFKZFLMPSW-OAHLLOKOSA-N 429.786 4.847 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(C(F)(F)F)c(F)c3)nc12 2081329291 FHPNXFHWZNJFMF-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE Cc1cc(CNc2cc(Br)ccc2I)ccc1C#N 2097188556 LPSBGCALNGCXMH-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2159121502 VKANUCUHCBQQBP-LSDHHAIUSA-N 441.414 4.643 30 10 IJEE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cnc1C#N 2174712374 OUXWRXWSEVEREM-INIZCTEOSA-N 437.382 4.722 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181114366 JWRYOKQALJNRQE-UMVBOHGHSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1Br 2184352579 CSVDSSTULYAEBY-MRXNPFEDSA-N 436.350 4.950 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CCN2c1ccc(C#N)c(Br)c1F 2197339680 KUHZIMYVFMYTFY-VLIAUNLRSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 2204169588 OHOKPIRIWXNIHN-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE CCN[C@@H](C#Cc1ccc(Cl)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216981356 MPBWDXJIMYBNGC-XZOQPEGZSA-N 442.987 4.780 30 10 IJEE N[C@H](C#Cc1cccc(Cl)c1)c1ccc(Br)cc1I 2230990925 AYBMPMXDBRGPPJ-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 2235748163 XFNQONRQJLLGDG-OXQOHEQNSA-N 435.406 4.957 30 10 IJEE O=C(C#Cc1ccc(Cl)cc1)[C@H](O)c1scc(Br)c1Br 2239472204 WKCUMZTWLRBLGN-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@H](N)C#CC2CCCCC2)C1 2251402160 TUQBXOJPEFRLNA-BVAGGSTKSA-N 426.601 4.741 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)c3ccccc3)c2F)OC1(C)C 2266976629 SLEMCGLEOUSANP-UHFFFAOYSA-N 431.316 4.972 30 10 IJEE Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2267001349 JVVZKWGYIJHVRM-UHFFFAOYSA-N 444.381 4.975 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267574752 ZNRUBDYIANGJDX-SJORKVTESA-N 442.365 4.795 30 10 IJEE C=C(COCCC)[C@H](OCCCN)c1scc(Br)c1Br 2293430345 AYMXSTHHSRRXOO-ZDUSSCGKSA-N 427.202 4.662 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 2296266043 DFXNKUBSWYWTHW-YZGWKJHDSA-N 433.390 4.638 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2296274435 UQHINTSGQJQCDR-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2cccc(Cl)c2)cc1C 2296766047 OODROGNURHHGIF-SFHVURJKSA-N 440.908 4.740 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 2304611393 HKPXOAFHYQMSOV-QYXIYQDXSA-N 428.573 4.698 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2305319639 NXTGVYDHTHACBK-UHFFFAOYSA-N 428.573 4.699 30 10 IJEE CCCCOc1ccc(C=C2SC(=Nc3nnc(C)s3)N(CC)C2=O)cc1OC 2314544341 ZCNOLWWQZKMADX-UHFFFAOYSA-N 432.571 4.658 30 10 IJEE CN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccc(C(=O)O)c1 2314548976 YZOHNMWBQZJPHS-UHFFFAOYSA-N 449.444 4.787 30 10 IJEE Cc1ccccc1CSc1nncn1N=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2321813902 AQTPSBLIGZFGOJ-UHFFFAOYSA-N 425.901 4.594 30 10 IJEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1ccccn1)C2=O 2323092655 ZSEYAWNLGOVSIM-UHFFFAOYSA-N 442.254 4.989 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2F)CC1 2324128423 WQSSHNPACYMPCE-UHFFFAOYSA-N 448.469 4.609 30 10 IJEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2324233694 HVRHPCXKOYYKQX-UHFFFAOYSA-N 445.427 4.642 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 2324451703 RSKKDGCVMXWUDH-UHFFFAOYSA-N 441.480 4.838 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c(OC)c1 2324946154 WGPIIKYOXXVQOK-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325072566 WGTQLQMJBNUGFR-QGZVFWFLSA-N 449.503 4.624 30 10 IJEE CC(C)(C)c1ccc(C=CC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Br)cc1 2325506607 VIOJSTMXXYLQKK-UHFFFAOYSA-N 431.286 4.876 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)COCc1ccccc1 2325725512 QCGISULOPKIJNM-UHFFFAOYSA-N 438.426 4.992 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2C)cc1OC 2326433178 VPLXRPLFFJXROP-UHFFFAOYSA-N 440.569 4.794 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2326752441 MRGLPWCPVQXDCQ-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE CCOc1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SC)cc1OCC 2327410560 VAGSCCBSQXRQTI-UHFFFAOYSA-N 448.495 4.537 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2327571121 RHEKHAMIHGGQBE-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccn1C 2328219322 QSFVAADKVUPNHS-UHFFFAOYSA-N 447.564 4.687 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccn2)cc1 2328356119 NRHPWSAUQFZNMZ-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccnc2)c1 2328604927 HMVKYQZTROACIG-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE CCSc1nnc(CCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2330186118 PPFCZVHMJLJREO-UHFFFAOYSA-N 431.359 4.526 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Br)c2)cc1OC 2330718747 CKRRKMBMUWVFDX-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1 2330952317 QCOFQVCUOKCKMT-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(OCC)c2)cc1 2331208201 UOYNHULZYSSUBR-UHFFFAOYSA-N 432.476 4.698 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)CCOC 2331389269 KNROEPIQEUOREN-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(SCCO)nnc2C2CCC2)cc1 2331544563 UMZWBXAYIROPRL-UHFFFAOYSA-N 435.597 4.539 30 10 IJEE CC(C)c1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331711412 DWHMFLCVZHNVGC-UHFFFAOYSA-N 449.624 4.990 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CC2)cc1OC 2331726662 QWYHGKPOUKDLFH-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(Br)c1OC(C)=O 2331727482 XXSXVSIXLYRODX-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C2CC2)c(OC)c1 2331741661 XLZJFHKVSNJGPV-UHFFFAOYSA-N 430.884 4.886 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)ccc1OC 2339197430 VRKWNFKUALEYDV-SJLPKXTDSA-N 427.383 4.968 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2342476101 WENNMVQBBAHATB-VQIMIIECSA-N 444.381 4.581 30 10 IJEE C[C@@H]1CCC[C@@H]1N[C@H](C#Cc1ccccc1Br)CCNC(=O)OC(C)(C)C 2367588308 DIKGLOKNKYOOBA-POAQFYNOSA-N 435.406 4.862 30 10 IJEE Cc1cc(CNCc2cc(C)c(Br)s2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369686957 YIEVMNLOWMXRQK-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE CCCCCCC[C@](C)(N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F)C(=O)O 2378204114 XCAQBQJMDPTZTD-XLIONFOSSA-N 432.483 4.637 30 10 IJEE CC1(C)C[C@@]2(C)CC3=C(C(=O)/C(=N\NC(=S)Nc4ccccc4)C(C)(C)C3)[C@@](O)(C1)C2 17185165 LURVMUUMTGQCDG-OUIYBEPVSA-N 439.625 4.976 30 10 IJEE COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 28052616 ZYMOLLKMKRGOHF-OSPHWJPCSA-N 446.503 4.967 30 10 IJEE C=CCOC(=O)C1=C(C)N(Cc2ccc(F)cc2F)C(=O)C[C@@H]1c1ccc(F)cc1F 37576783 ZRHGHYWFEZMTMM-GOSISDBHSA-N 433.401 4.762 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1nnc(NC(=O)c2ccccc2)s1 59042104 ODRBMMFFCWRKNT-UHFFFAOYSA-N 442.591 4.799 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 102707138 BVWLNZLTCSQAAU-HMNTXPNISA-N 433.247 4.818 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 103098343 QVBCIMMCPPVYJW-RKKARLDVSA-N 449.890 4.984 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2OC)cc1 169941845 NPBCJXRSRFQVOH-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(N(C)C)cc2)cc1C 169955620 XBESGSJWNKGPDZ-DEOSSOPVSA-N 441.531 4.543 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@@H]1c1ccccn1 169993833 HNYFLKVRNLQMGN-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccnc1 170009551 XYZWOSNBSCMTOW-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170038044 LWWLTNDYAKLQBW-CVDCTZTESA-N 447.487 4.589 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)cc1 170047952 XGBWOFFNQBCFAH-XMMPIXPASA-N 442.515 4.934 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccn1 170176164 NJRHYCZYYRMXEW-JOCHJYFZSA-N 428.488 4.798 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccnc2)cc1 170189250 KVKQDYDVYZXGEK-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccncc2)c(C)c1 170205680 BERDCOUSVHLKEY-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)cc1 170290866 YVWOUCBOHUDBBR-HXUWFJFHSA-N 425.387 4.739 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170291163 POEODGWFLXONNL-JOCHJYFZSA-N 429.428 4.813 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(C)o2)cc1C 170305940 IHMHRQCWUPVIIF-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1cccs1 170312668 AWWDHHHNYNQPAG-SFHVURJKSA-N 439.514 4.625 30 10 IJEE CN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccccc1Br 254383237 GDRSDZBHVRGPRT-UHFFFAOYSA-N 438.297 4.993 30 10 IJEE N#C[C@@H](c1cccc(I)c1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 309999917 DMJDOFSKUNTKRI-HKUYNNGSSA-N 446.288 4.557 30 10 IJEE N#C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1cccc(Cl)c1Cl 505337090 FQLHIXXGGVFUJG-CQSZACIVSA-N 437.283 4.656 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1nc(C(=O)OCC)cs1 524105563 KRDOMDITDOVIAR-OLZOCXBDSA-N 425.337 4.949 30 10 IJEE N#Cc1cnc(C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c(Cl)c1 553322673 ASGIKEQQONAJAA-HXUWFJFHSA-N 426.303 4.948 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 558994681 ZSXNNKVNXRLHDY-JOCHJYFZSA-N 449.020 4.574 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 563829265 BGDYBWZEAIBMCT-GVAUOCQISA-N 448.611 4.842 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(N2c3ccccc3C[C@H]2C)CC1 609385212 DBBLBWMYKZWWDY-VQTJNVASSA-N 448.636 4.792 30 10 IJEE Cc1ccc(OCc2nc(CC(=O)OCc3cc(Cl)ccc3OCC#N)cs2)cc1 735340289 WNQZJDGDOWRWFW-UHFFFAOYSA-N 442.924 4.872 30 10 IJEE COc1ccc(CNc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)cc1C#N 746710055 JFMRQPDGLBRBOZ-UHFFFAOYSA-N 428.521 4.519 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CCCN1C(=O)OC(C)(C)C 790663279 MHMQSIITYQUUAM-XDHUDOTRSA-N 425.529 4.865 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1C 799211848 CWDXABQWMZXJAB-QGZVFWFLSA-N 437.899 4.907 30 10 IJEE CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC)cc1 799220704 DCTZVLHNEXWXJV-SFHVURJKSA-N 431.945 4.719 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 802592809 NJCDTNCRLZTJPH-VWLOTQADSA-N 434.559 4.843 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 804453106 BLNVTRLPIUUCNR-JOCHJYFZSA-N 446.547 4.921 30 10 IJEE C=CCOc1ccc(/C=C/c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1OC 856582559 RYHWEYAVMBDASM-JTPHSUOKSA-N 437.540 4.710 30 10 IJEE COc1cc(C#N)ccc1OCc1nnc(-c2ccccc2OCc2ccc(F)cc2)o1 1117211290 SFRJNUJTEUPNKN-UHFFFAOYSA-N 431.423 4.914 30 10 IJEE C#CCOc1ccc(COC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 1127866946 GJDGILHQYSRQKB-UHFFFAOYSA-N 434.875 4.705 30 10 IJEE C=CCN(C(=O)[C@H](OC)c1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1128110672 DKHDDWILSLINTN-NHCUHLMSSA-N 449.469 4.582 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)C(F)(F)F)cc1 1128867041 QTXGBTOPGHJEFP-KURKYZTESA-N 425.447 4.850 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1 1128919673 HUVIGDZKWHMWMM-UHFFFAOYSA-N 432.553 4.675 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 1130905387 YNDQDCMRKIMYIT-CVDCTZTESA-N 426.582 4.767 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2sc(N(C)C)nc2s1 1142766740 HHVYTVNSQQTMPN-LLVKDONJSA-N 438.500 4.997 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccccc1 1163097405 XSRFRTONYZRJEE-FQEVSTJZSA-N 433.305 4.806 30 10 IJEE N#CCc1ccccc1S(=O)(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 1186928872 DUEYEEKMLHRDSC-OAQYLSRUSA-N 432.879 4.752 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(c2cccc(Cl)c2)CC1 1193753122 AMQHEABCXDRLKD-SFHVURJKSA-N 425.960 4.863 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@](O)(c3ccccc3)C2)cc1 1214805113 ALSVWIKJOAZXFD-MHZLTWQESA-N 441.531 4.847 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)CC1 1248406476 BFGHROPKBUXABS-IHPCNDPISA-N 433.390 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1286571874 SOYIWZGCYNYUBP-HSZRJFAPSA-N 432.616 4.978 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1286651690 IOBIMNPRZFMVAT-QUCCMNQESA-N 431.625 4.841 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1286680688 ZKUCZZFXDBPMSE-RPWUZVMVSA-N 438.616 4.869 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286695617 DJGSBVFNFXCVCV-PMACEKPBSA-N 441.620 4.626 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CCCC1(C)C 1286730539 IIKVESKDSWXLKH-OAQYLSRUSA-N 439.387 4.727 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(F)cc1Cl)C1CC1 1286738064 ZQMFQNQDOSUWIR-UHFFFAOYSA-N 431.968 4.824 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nccn1C(F)F 1286960488 GCKWAQWXGRUJIE-CQSZACIVSA-N 445.543 4.511 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2ccc(Br)cc2)o1 1289521977 FXIXILVFSREVSC-CQSZACIVSA-N 428.334 4.590 30 10 IJEE Cc1ccc(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(OC[C@@H]2CCOC2)c1 1294613924 DFOGUIZKSAEXAO-OAQYLSRUSA-N 441.531 4.956 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C1C=C(C(C)C)CC[C@@H]12 1295454786 DGVSPHCARZKHSO-ZCAIMPEWSA-N 433.658 4.839 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)OCC 1298021609 SPBWNPOGQJJDEX-HXUWFJFHSA-N 438.528 4.517 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 1299459671 ASHWMFNGTKZAEE-MOPGFXCFSA-N 438.609 4.597 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1sccc1Br 1300313811 OXJDRPBAMICHMG-CYBMUJFWSA-N 449.805 4.853 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCC[C@H]21 1300362992 WAHPHRHKEFPTGJ-PZJWPPBQSA-N 441.620 4.575 30 10 IJEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCSC(CC)(CC)C1 1300365458 XJMLRRPTKBEWBS-OAQYLSRUSA-N 440.613 4.706 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(CC)o1 1300423441 PTGGCRSSZOSYHQ-FQEVSTJZSA-N 434.540 4.776 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCc1nc(C)cs1 1300441696 WUBVNWCGMRWZRB-MRXNPFEDSA-N 439.654 4.989 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(C)(C)C 1300780237 NIANSUQRKQYAAX-XMMPIXPASA-N 442.007 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)CN1CCCC1 1300788048 QFOVLJZRRMPZPV-XAJLNHFYSA-N 449.643 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCOC(F)(F)F 1300817456 MBQBRMVVXZDHLA-HXUWFJFHSA-N 438.519 4.797 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1300830080 CZSXCMISIWFCRX-DGCLKSJQSA-N 445.814 4.993 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1301065380 DSAYENGJPJVVAX-QYZOEREBSA-N 430.980 4.901 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)C(C)C)CC1 1301105093 CTHAOZSYLNAFGY-NBGIEHNGSA-N 426.605 4.844 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)N2CCCCC2)CC1 1301129996 KIESULDGMOPIOX-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCC[C@H](C)C1 1301270999 NTFIKDOZALPEDZ-IBGZPJMESA-N 432.616 4.934 30 10 IJEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccnc(OC2CCCCC2)c1 1301278772 QOFZCBFIOAAFMP-UHFFFAOYSA-N 448.527 4.630 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(F)c1F 1301397003 JDJGTTAVDQYSLX-WIYYLYMNSA-N 430.543 4.896 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1301415410 TZLOZHQCHKXRJT-TZIWHRDSSA-N 432.996 4.689 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCc1nc(C(C)(C)C)cs1 1301973500 HNGLJEVUSLOHFV-MRXNPFEDSA-N 440.592 4.601 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)sc2ccc(C#N)cc12 1309351886 IALNRLYOSRZGAH-SFHVURJKSA-N 438.496 4.923 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 1310301003 GZZOXTHMBWBTMJ-UHFFFAOYSA-N 437.540 4.866 30 10 IJEE CC[C@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccccc1OCC(=O)N(C)C 1310781592 FOOXNWHUIRZYNO-SFHVURJKSA-N 442.585 4.657 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H]3CCC(C)(C)CN3C(=O)OC(C)(C)C)cc21 1311251718 HCOOURAVGQYJPO-LJQANCHMSA-N 441.576 4.770 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC1(c2cc(Br)ccc2OC)CC1 1312000312 KQWKWIBCVVNPNZ-UHFFFAOYSA-N 431.330 4.511 30 10 IJEE C=CCC[C@@H](NC(=O)N(CC)[C@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1 1312342409 NXFLNDYNGHMAHB-CRAIPNDOSA-N 434.524 4.567 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H]2CC)ccn1 1314584298 CXMFTQVWFWLOFB-LAUBAEHRSA-N 432.597 4.997 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C[C@H]2CCCO2)C1 1321323277 BYJIWHKJPYHANL-WUMKDDEVSA-N 448.567 4.532 30 10 IJEE C=CCN(C(=O)c1sc(C)cc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1356594542 DIKZPZJPVLOPLA-UHFFFAOYSA-N 432.592 4.725 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CCC2)c1 1358407128 UBYWGLJEVGZRTI-INIZCTEOSA-N 432.973 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCCSC 1359066864 SGCYMKICWJCFJQ-HXUWFJFHSA-N 433.419 4.761 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(Cl)cc1 1359107124 CZKSGNKQOCNXCB-HSZRJFAPSA-N 432.996 4.617 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCc2cccc(Br)c2C1 1359132440 XMNBKUQPIZKLCP-UHFFFAOYSA-N 445.405 4.854 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccccc2CO)CC1 1359187977 CMIJMXUABYAKCC-QHCPKHFHSA-N 438.616 4.998 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 1359195365 LHNDQMJVPWEHQO-YMPZKCBVSA-N 435.616 4.775 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(Cn2cccn2)CC1)c1ccccc1 1359195471 MZJHJEODPVMVFY-XMMPIXPASA-N 432.616 4.950 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359197806 ALOYFCGJLXIRQZ-QFIPXVFZSA-N 442.567 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccc(F)cc2)CCOCC1 1359235372 XGQSFUWZDLOXOW-UHFFFAOYSA-N 441.938 4.503 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC=C 1359275684 BFXRQCUXYAQOTA-NRFANRHFSA-N 437.588 4.771 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC([C@@H]2CCCO2)CC1 1359288871 FYAYSGGMYHFOJY-QFIPXVFZSA-N 445.007 4.833 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1359289801 LLWMZKPKYADSND-QFIPXVFZSA-N 437.632 4.554 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359308981 DSYWKDWFEROMFB-SFHVURJKSA-N 443.473 4.732 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ccc(F)cc1 1359477677 CRGWXMYOYRSANK-ZCLUNYJNSA-N 427.568 4.735 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)cc1 1359809768 BSBJWSNVXQXABR-UHFFFAOYSA-N 435.524 4.788 30 10 IJEE C=CCN(C(=O)c1cc(C(F)(F)F)cnc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1435899040 BYRKEDUOSKDTDQ-KRWDZBQOSA-N 440.849 4.556 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@H]2c2cncc(Br)c2)cc(OC)c1OC 1456068242 XLEAMVSPNAVKLL-SFHVURJKSA-N 431.330 4.567 30 10 IJEE C=CCn1c(S[C@H](C(=O)OCC)C(C)(C)C)nc2sc3c(c2c1=O)CCCCC3 1458730471 PKASDYDEUWOLOJ-QGZVFWFLSA-N 434.627 4.983 30 10 IJEE Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)ccc2C)c1 1463672273 HHKDUBSVWSOSDO-IBGZPJMESA-N 447.560 4.793 30 10 IJEE C=CC(C)(C)CCCNS(=O)(=O)c1cc(Br)c(C)cc1Br 1464436505 TZHIMEVGTVNFFQ-UHFFFAOYSA-N 439.213 4.791 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 1465381035 CVMIPMFEIXLNGM-BFUOFWGJSA-N 432.318 4.617 30 10 IJEE CC(C)(C)[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccc(F)cc1 1468083724 CFAUYXKMWNGDBE-NRFANRHFSA-N 428.939 4.970 30 10 IJEE CC(C)Oc1ccc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl 1473235003 ICEYWNFWDRMOBQ-UHFFFAOYSA-N 426.904 4.569 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)NC1(c2cccc(Br)c2)CCCCC1 1475411916 HZVBSGHAUXOOEL-UHFFFAOYSA-N 433.371 4.767 30 10 IJEE N#Cc1cc(F)cc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 1476981793 BQSBPRJNCOJCOK-HNNXBMFYSA-N 425.851 4.812 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCCC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc21 1477135052 RXOPZVSCIDFMOY-LJQANCHMSA-N 427.549 4.524 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 1477189023 UILMMXJUBGRFMH-MRXNPFEDSA-N 443.345 4.760 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(CCC#N)CC2CC2)C1 1493695888 HCHQSKFPFNUVGD-RTBURBONSA-N 441.023 4.849 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1497581386 BNQWYHHZOHTHEF-XHNVNVPESA-N 437.588 4.559 30 10 IJEE CCc1nc(CCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@@H](C)CC#N)cs1 1498338653 FVUXYMIPJMCAHQ-INIZCTEOSA-N 447.568 4.600 30 10 IJEE COCC1(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@@H](C)C#N)CCC1 1504630043 HVTPQCCXGYLNHF-SJORKVTESA-N 427.618 4.544 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(F)(F)F)C1 1505206429 GYSXSQYTPOPMMC-INIZCTEOSA-N 441.548 4.792 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1507561634 RKDSXRYDZDJEAW-JOCHJYFZSA-N 444.526 4.649 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCCN1CCC 1507604559 KZPFBFPYBMXUHL-NRFANRHFSA-N 448.640 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccncc1Cl 1507764146 KTOUHNWRNPYSLN-JOCHJYFZSA-N 443.885 4.635 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1507800972 ZVTDCPXPWXZVCU-PXDATVDWSA-N 438.616 4.814 30 10 IJEE C=C(Cn1c(CC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)c1ccccc1 1507851119 FWQIBBFCKNLQPS-IBGZPJMESA-N 437.613 4.886 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1507858724 QFAOKSXRPWDIMQ-WBMJQRKESA-N 425.733 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507900821 VUDGVNDJWJZCSW-FQEVSTJZSA-N 431.028 4.762 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCCC2)C1 1507952463 UXVNLXXIOXDDBN-UHFFFAOYSA-N 435.572 4.625 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCCc1nccs1)C1CC1 1507989400 CNSRHUUGAMAMTA-UHFFFAOYSA-N 444.402 4.952 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1 1508002323 DTIDWQGNIQPNRJ-OZXSUGGESA-N 431.584 4.804 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1508049876 LOQBKIYTVHOCCQ-QZTJIDSGSA-N 431.378 4.678 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC[C@H](OCCOC)C1 1508050530 IAVGJIWTKFSRJG-IBGZPJMESA-N 442.560 4.631 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1517105326 FWMRNNKQTLAYDI-XZOQPEGZSA-N 444.583 4.689 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@@H](C)C1)C(C)(C)C 1519835676 AFDSOAPFTNBCNR-TXPKVOOTSA-N 429.659 4.925 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H](CCOC)Cc2cccc(Br)c2)c(OC)c1 1521158649 PAPBLHVXIQWEGZ-SFHVURJKSA-N 433.342 4.987 30 10 IJEE C=CCOc1ccc(CC(=O)O[C@@H](C)c2ccc(F)c(I)c2)cc1 1525730004 KQDQSBGCHIYVSN-ZDUSSCGKSA-N 440.252 4.842 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)c1 1527163111 DBQJUVUCKFNJSV-HOTGVXAUSA-N 430.595 4.558 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(Br)cc1C#N 1528005994 FWFHBDNPMPTMGD-UHFFFAOYSA-N 436.103 4.900 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cnc(-c2cc(Br)ccc2OC)s1 1528209510 MRFIQKXYUSFWPJ-UHFFFAOYSA-N 447.276 4.609 30 10 IJEE CN(C(=O)c1occc1COc1cccc(C#N)c1)c1ccc(C(=O)NC(C)(C)C)cc1 1528853195 AEVNBXODCOXMDK-UHFFFAOYSA-N 431.492 4.535 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cc(Cl)ccc3-n3cncn3)cc2)c1 1529823879 DEXIXYLCFBZIRB-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE CC(C)OC(=O)C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 1532141969 CKUUZLLCGGWFGX-VWLOTQADSA-N 442.515 4.950 30 10 IJEE C#CCN(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1nccs1 1533903308 AETXGHPIOBYDLJ-UHFFFAOYSA-N 426.885 4.597 30 10 IJEE Cc1cc(C)c(N2C[C@@H](C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)CC2=O)c(C)c1 1536405308 HFPGYLHGYYBTTE-IBGZPJMESA-N 430.533 4.599 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1537361822 FLJGKMGRINEABP-AOMKIAJQSA-N 438.490 4.546 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1CCC(C(F)(F)F)CC1 1538987663 VOYWJZCOZPXZDK-VQCLRJIVSA-N 425.886 4.820 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(F)c(F)c1 1538997099 PYYPZGHLWNVEDQ-VBKZILBWSA-N 449.295 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)c1ccc(Cl)cc1 1539034778 IKBDSOGPFLLIMD-LLUDDFSJSA-N 445.007 4.696 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@H]2CCCO2)CC1 1539056008 PSUSKSQBRRFGAC-OAQYLSRUSA-N 442.991 4.806 30 10 IJEE Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)COc2cccc(Br)c2C#N)cc1 1539161845 BWMXETSVEWUZEM-XLIONFOSSA-N 427.342 4.803 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCC[C@@H]1C 1539196310 JEPHFRWITPORAS-SFHVURJKSA-N 432.037 4.558 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1539278882 MZDSPKBORQDEDX-JTHBVZDNSA-N 436.625 4.547 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 1539827658 BRPXVNADGMPMSZ-UHFFFAOYSA-N 440.952 4.969 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(OCCC)c2)CC1 1539891600 GFJRUYFCALTWNP-UHFFFAOYSA-N 431.584 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccccc2C)C1 1539924309 SEIRMBZSKNQRQT-QHCPKHFHSA-N 431.584 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1539929232 OZIAPKMBAYXZAJ-UNMCSNQZSA-N 438.616 4.591 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1539946949 HATNCIQBKYLSOB-NRFANRHFSA-N 446.555 4.632 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H](C)C1 1540119473 JRKOHPLNZFCSSW-RRPUWOKSSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC1C[C@@H](C)O[C@H](C)C1 1540133522 GXQDEHWWRCECKH-RTBURBONSA-N 435.547 4.875 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1Cc1ccc(C#N)o1 1540139759 DZFYVUBFXQSPHL-UHFFFAOYSA-N 431.521 4.721 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1noc2c1CCCC2 1540174835 RJHSZKIZYQBRJI-UHFFFAOYSA-N 433.556 4.567 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)CC1 1540470838 GOFKQBBLVLAEQI-OAQYLSRUSA-N 439.437 4.603 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCC(C#N)CC1 1543376795 HTSXBRLEVONQGD-GOSISDBHSA-N 432.572 4.602 30 10 IJEE C#CCCCNC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1543969851 AYFOXNANFSDAMK-UHFFFAOYSA-N 448.588 4.572 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1oc2ccccc2c1COc1ccccc1Cl)C(=O)OC 1544351832 LGGYFRTUPRDLFJ-GOSISDBHSA-N 427.884 4.903 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(Br)c(C)cc1Br 1545088454 ILTUPECLXNRDMU-UHFFFAOYSA-N 441.094 4.923 30 10 IJEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1ccc(Cl)s1 1545129151 GKPDQZSEISFBLW-AWEZNQCLSA-N 430.002 4.716 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1547127262 HBMLIRDXRFGPMH-UHFFFAOYSA-N 436.947 4.571 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1OC(F)F 1556099666 XJMLYRVHQWHZKN-GFCCVEGCSA-N 425.259 4.916 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(OCc2ccccc2Br)c1 1556399379 LKXCEZYMJWYULD-LAUBAEHRSA-N 430.342 4.739 30 10 IJEE C=CCN(C(=O)CN[C@@H]1CCC[C@H]1OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1559850178 RVOOISOCJKAZCA-SJLPKXTDSA-N 440.396 4.793 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)cc1OC 1560422207 JGELURHUEMUESN-XMCHAPAWSA-N 426.395 4.952 30 10 IJEE C=CCSCCNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 1561458463 PJIYWITUXWTDMT-UHFFFAOYSA-N 446.363 4.578 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)CC)C3)C1=O 1568184633 ZIPFVQVGXXZXJT-FDDCHVKYSA-N 433.596 4.635 30 10 IJEE Cc1ccc(CNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1F 1585073683 FXSJQONUCTUDDR-UHFFFAOYSA-N 439.327 4.946 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H]2c2ncc(-c3cccc(OC)c3)[nH]2)c(OC)c1 1587503089 SYXUQQSAEYBHJR-JOCHJYFZSA-N 447.535 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)c1nc(C)cs1 1588205297 IKNCNKKZHCITIY-SFHVURJKSA-N 440.576 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCC1CCC(OC)CC1 1588205614 PSOXXCSFLDDBJW-UHFFFAOYSA-N 441.579 4.552 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(CC)CCc1ccccc1 1589556973 GFANZGIJRDMNIM-LADGPHEKSA-N 436.625 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H](CC)N1CCCC1 1589626588 YKZQUJUMRSAFRA-GOSISDBHSA-N 446.437 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C)CCOCC2)CC1 1594023541 KIVKYWKTDHAWKN-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(CCOC)CCC2)CC1 1594430082 IECUNTNDOKKQDI-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)C)c1ccccc1 1594535581 TYLNEPUCHZQZFS-FQEVSTJZSA-N 432.572 4.768 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1594544860 NMXCZTWLOYWIIN-QHCPKHFHSA-N 444.627 4.975 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1594824463 IBRNOXHLAFNPEC-LJQANCHMSA-N 443.642 4.672 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(Cl)s1 1595219761 XPFSGAZXXJBSIZ-GOSISDBHSA-N 428.945 4.732 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1Cc1ncnn1C(C)(C)C 1595238955 BXYOKYNFTMGMGV-UHFFFAOYSA-N 433.604 4.566 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1Cl 1595307821 MOQCITHADMLKSW-TZIWHRDSSA-N 447.023 4.732 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)SC)C1 1595674474 QDRYQAAIZKNGEN-FRQCXROJSA-N 437.009 4.604 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CSC(=S)N1CCC(C)CC1 1596875168 WMCGPDACAUSSLL-UHFFFAOYSA-N 443.432 4.702 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)c1 1598216629 WBNCNRQFLLCDOD-WMZHIEFXSA-N 439.577 4.831 30 10 IJEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1C1CCCCC1 1617832919 GZYAWORKJZEMKC-HXUWFJFHSA-N 446.521 4.612 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cc2n1 1626676047 PANQANAWMZZDEQ-FQEVSTJZSA-N 443.334 4.772 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 1629058448 RJIJMYMEYJRGIA-UHFFFAOYSA-N 434.945 4.834 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(COCc2ccco2)c1 1629903843 PRYWIMVDCVBDPT-FQEVSTJZSA-N 448.947 4.649 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 1632118543 NVSWTQOYPZLTPN-MRXNPFEDSA-N 449.960 4.975 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1)[C@H]1CCCO1 1634470706 XXWWXDIIJUZOEA-RBBKRZOGSA-N 428.529 4.662 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)c(Br)cc3F)n[nH]2)c1C 1641807552 BAHKXZFWWSREFY-UHFFFAOYSA-N 432.297 4.538 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)C(=O)OC 1643443288 IZLIAHBSXCFHDR-SFHVURJKSA-N 440.590 4.844 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](C(C)C)CC2 1646563327 HSBPKUBTZIUXHH-UKRRQHHQSA-N 427.998 4.878 30 10 IJEE C=CCCC[C@H](NC(=O)c1sc2nc(COC)nc(OC)c2c1C)c1ccccc1 1651057368 HAVKMARQHPVBOG-KRWDZBQOSA-N 425.554 4.982 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(C#N)cccc1[N+](=O)[O-] 1652469512 RUGRUMYQEHTCNT-UHFFFAOYSA-N 441.900 4.769 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 1654503710 MXXOQCHRDDOJLA-MSOLQXFVSA-N 425.476 4.670 30 10 IJEE C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1cccc(Cl)c1C#N 1654673354 DNSDPHSJSNNXCX-XDHUDOTRSA-N 436.964 4.979 30 10 IJEE COc1ccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1Cl 1654757658 AXIPKYWMJRXKQO-UHFFFAOYSA-N 436.943 4.698 30 10 IJEE C#Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)cc1 1655576122 RNTDFOCCXBGEPD-SANMLTNESA-N 436.621 4.513 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3c(F)cccc3F)C2=O)nnc1-c1cccc(Cl)c1 1656402724 AWCBLQFWHTXRBW-QGZVFWFLSA-N 446.910 4.960 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1OC)c1ccc(C(F)(F)F)cc1 1662980527 BZJMFADELZRBJM-MRXNPFEDSA-N 435.414 4.978 30 10 IJEE C#CCN(C(=O)Nc1ccccc1OCCCC)C1CCN(C(=O)OC(C)(C)C)CC1 1666248747 ZBCWTNZVTJEMPW-UHFFFAOYSA-N 429.561 4.732 30 10 IJEE COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)CC2 1667655322 DFSMKAGGVRJVOB-OAHLLOKOSA-N 448.548 4.774 30 10 IJEE C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(-n2cccn2)c(F)c1 1669626050 GEKYIDWYAQMAOE-AWEZNQCLSA-N 449.877 4.605 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C)c(Br)c(C)n1)c1ccc(Br)cc1 1670389976 SUKDXWSKZYSYIY-CQSZACIVSA-N 437.135 4.719 30 10 IJEE C#C[C@@H](NC(=O)NC/C=C\c1ccc(Br)cc1)c1ccc(Br)cc1 1673024572 CVNAWTULDIXSPI-DDKKJVIOSA-N 448.158 4.899 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1675682439 OIIIAQUCFLJQRJ-QHCPKHFHSA-N 432.499 4.950 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CSc2ccc(Br)cc21)C(C)C 1675963790 IAWQASQXRNNAOP-MSOLQXFVSA-N 438.435 4.594 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1c[nH]c2cc(F)ccc12 1678351807 YIFCIRRTIMBHJE-UHFFFAOYSA-N 432.293 4.999 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2cccc(F)n2)CC1)c1ccc(C(F)(F)F)cc1 1680632345 CDELBVUGLBWXDX-SFHVURJKSA-N 436.453 4.779 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 1682352419 MQBBQTJYNUZMKZ-HXUWFJFHSA-N 444.000 4.802 30 10 IJEE C#Cc1cccc(CNC(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)c1 1683157038 RMBPDIOIAKWXEU-IDISGSTGSA-N 442.559 4.553 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(F)c(F)c1 1686173339 GKNGXGQRLKVZBI-IFMALSPDSA-N 428.479 4.954 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N(CCc3ccccc3F)C3CCCC3)CC2)c1 1686929066 BQOUCZIMYCMJDZ-UHFFFAOYSA-N 448.586 4.859 30 10 IJEE C#CCN(C(=O)NCCN(Cc1ccccc1)c1ccccn1)[C@@H]1CCCc2ccccc21 1687513041 YIQKQYCJLJZMLN-AREMUKBSSA-N 438.575 4.811 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H](C(CC)CC)N(C)C 1690088507 NRSXQUKVTCGDDV-JOCHJYFZSA-N 427.612 4.721 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(CC)CC)CC1 1690305084 WTCIOQYLTJBGKF-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)C)C1 1690305604 DNZOKZIGOAZSSF-IBGZPJMESA-N 439.387 4.706 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1690478358 UVZVEMWLJQNHNB-NRFANRHFSA-N 446.599 4.592 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C(=O)NC 1690573802 DWJMDLQFCNGISX-UHFFFAOYSA-N 449.580 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(F)c1 1690576026 KTJYLYBREMLKOJ-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1c2ccccc2C[C@@H]1C 1690600713 AWKHFEVLHQNBQI-BGWNEDDSSA-N 449.643 4.826 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nc(C2CC2)cs1 1690992961 CGODUSNAUGXASL-GJZGRUSLSA-N 440.548 4.535 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CCCS1 1692825679 HXYHBEXVABCGCO-JJEOQYAHSA-N 443.592 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1(C)CCCC1 1705669307 ITXDMBRQSIRSJA-OAQYLSRUSA-N 430.394 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705677325 KPGFIHHTWFLQEQ-HRRBBWQUSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCC 1705697300 UIENPSVARIXDDW-BBRMVZONSA-N 425.396 4.597 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](OCC)C2CCCC2)CC1 1705771736 CHLMYCFJQAPPGS-XMMPIXPASA-N 449.599 4.871 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@@H](F)C2)CC1 1705772801 ZZUGNHUZWNUZML-QRVBRYPASA-N 433.572 4.645 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1705779814 YMEMPIAYYDBKJG-UHFFFAOYSA-N 435.572 4.911 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1Cc1ccc(N2CCCCCC2)nc1 1705856086 FLAGCKHUVGUIKA-UHFFFAOYSA-N 446.599 4.611 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@H](C)C1 1705860519 SATIUGDHYMRRFR-FQEVSTJZSA-N 432.616 4.730 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)Cc1ccccc1 1705890410 OHAAZWYHVFBWRH-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCSC(CC)(CC)C1 1705944548 KFGVUWNWQFVGBP-UHFFFAOYSA-N 446.642 4.705 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(OCc2ccccn2)cc1 1706077197 GVTUYEGUFYLDTC-FQEVSTJZSA-N 444.583 4.629 30 10 IJEE CC(C)(C)c1nc(CCn2c(-c3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)cs1 1706102232 DSDICPULPFCKOW-QFIPXVFZSA-N 442.539 4.523 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2cc(C)ccc21 1722311184 SISYEGLWRXSCRQ-UHFFFAOYSA-N 438.373 4.852 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1722331737 RCAKTJSTSFBELF-INIZCTEOSA-N 438.373 4.583 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)[C@@H](C)C1 1722466068 YRQGJMRUUOYRAV-PMACEKPBSA-N 426.630 4.748 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722546832 BBEZTCDCKVSCJD-UONOGXRCSA-N 428.795 4.923 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1722566952 FPHFXJGXQWHFJQ-UHFFFAOYSA-N 437.613 4.777 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C(C)C)CC2)CC1 1722572953 JTXURODJCPRNGT-UHFFFAOYSA-N 442.007 4.700 30 10 IJEE CS[C@@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C#N)CC1 1731044948 FMDQGGPEAMXLAT-SFHVURJKSA-N 427.618 4.780 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1nc(C)c(C)s1 1740533499 BTTMAUOALXMPKT-QFBILLFUSA-N 437.613 4.809 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1740567818 QDTMLTITVUVFBE-JOCHJYFZSA-N 438.641 4.726 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(OC)CCCCC1 1740647968 AVNDXKXXHPIYHP-UHFFFAOYSA-N 428.939 4.550 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1740673013 DGFXLNPZRNCACQ-UGKGYDQZSA-N 439.654 4.535 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CC1CCC1 1740738163 FZKQHOWSDVRIHE-UHFFFAOYSA-N 443.187 4.571 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCCC(C)C)CC1 1740753841 AFGWGKKVFZLGBY-NFBKMPQASA-N 442.604 4.859 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(CN(CC)CC)c2)CC1 1740837194 IZDKEAQDQDSOTL-UHFFFAOYSA-N 430.600 4.633 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](CC(C)C)N(C)C)CC1 1740837350 KAKQQURMIFZSJF-JOCHJYFZSA-N 448.615 4.979 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1740839545 KQNNMHBUHCPLHA-HXUWFJFHSA-N 431.584 4.869 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCOC1 1740854886 AMNIFYNEONDROB-XMMPIXPASA-N 444.645 4.610 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1740856047 YGFFJDYJYJIYAM-RBBKRZOGSA-N 437.632 4.846 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccsc1 1740886270 BDIQGNOKRZSRKJ-LJQANCHMSA-N 429.615 4.630 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccsc1 1740921710 FZKYISHHZOJIIN-QFIPXVFZSA-N 437.594 4.563 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)C)n1Cc1nnc(C(C)(C)C)s1 1740934291 BTRXOTJMPVBJJI-UHFFFAOYSA-N 438.645 4.909 30 10 IJEE C=CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(F)cc1Br 1740949259 BOGWIUSWRRSJFS-CQSZACIVSA-N 439.239 4.553 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 1741005437 XQZUZYCRYSEXMI-OAHLLOKOSA-N 444.498 4.694 30 10 IJEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1749043408 GSKJYQQDEPBMGW-NRFANRHFSA-N 436.581 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)nnc1C(C)(C)C 1749140536 QMJLHLXRBAXLGL-DICRZQGBSA-N 427.420 4.577 30 10 IJEE C=C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1749298919 KSLSOETXXUIUSD-SFHVURJKSA-N 432.425 4.513 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)c2cccs2)CC1 1749312646 QSITUMFUSWMQPW-QFIPXVFZSA-N 444.988 4.636 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@](C)(O)c2ccsc2)CC1 1749312698 RSBOGLQHIRXFHH-XMMPIXPASA-N 438.597 4.600 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC=C)C1CC1 1749402296 LKWIANIUGKUQHX-IBGZPJMESA-N 429.609 4.904 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccccc1C 1749507185 UDWNDDUPYMFCGM-FQEVSTJZSA-N 425.577 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)N(C)C 1749549017 OXZSAOZNCFYYAM-SFHVURJKSA-N 432.597 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCc1ccc(OC)cc1 1749550925 LTZNCKPFYBDBOA-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCSCC1)C(C)C 1749552534 DYRRDZFBHUWMII-OAQYLSRUSA-N 446.064 4.850 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1749755223 XFJQUXSUQIGPHA-RTWAWAEBSA-N 431.694 4.946 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1c(F)cccc1Cl 1750792036 IAYOIIVDBLGARP-UHFFFAOYSA-N 426.927 4.947 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760130420 IHAHOVSCXZMVMN-AQNXPRMDSA-N 444.023 4.794 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760141548 YNKOXGNGQOZOEE-NRFANRHFSA-N 449.624 4.852 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760141721 GCWQZHDNMHQVJU-HXUWFJFHSA-N 438.616 4.962 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCSc1nccs1 1760167342 LIZZQPSXBKRKEL-UHFFFAOYSA-N 425.627 4.951 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(F)c(Cl)c1 1760238874 NHJHIWNXVHQSHN-YLJYHZDGSA-N 448.970 4.528 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760433803 MOUBLUBFCWOITC-CABCVRRESA-N 437.407 4.883 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCOC2)C1 1760434578 GEKLLHHLKDHVHN-OAQYLSRUSA-N 431.378 4.599 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCNC(=O)c1cccs1 1760482766 PQSOZGVOPVOLEO-UHFFFAOYSA-N 437.613 4.551 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(CC)C1)OC 1762149376 AFVHTTNKHDGMLQ-RDGATRHJSA-N 439.604 4.663 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CCS1 1764388527 DFWUEFWGZYVAKW-UYAOXDASSA-N 439.629 4.744 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C)CCCC2)cc1 1766023767 AXNBCAFOIAZUGC-KOSHJBKYSA-N 441.551 4.839 30 10 IJEE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=S)Nc3ccc(C)cc3)cc2)cc1 1772734017 UGXPINGOABZAEU-MHBFRMCLSA-N 445.544 4.943 30 10 IJEE COc1ccc(/C=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c(OC)c1 1772740242 ZNPNHHNSYIFEEL-QDZAYQOHSA-N 444.582 4.800 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(F)ccc1Sc1ccc(Cl)cc1 1772793504 ZUMWKTYYIHMPSE-UHFFFAOYSA-N 427.840 4.998 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)cc1Cl 1858843187 XFRCTFVVILSCBQ-OAHLLOKOSA-N 449.898 4.965 30 10 IJEE C=CCNC(=O)[C@@H](CCC)NC(=O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1 1861423237 KNWDMIIKQQDFHG-JOCHJYFZSA-N 426.520 4.584 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(O)c2)cc1 1862389699 LLNIVNUKSZJPCZ-QHCPKHFHSA-N 437.536 4.738 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(OC)cc2)cc1 1862391570 DEDUPRWCHWWUOL-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862396197 FPIXVSYTEOGMDT-JOCHJYFZSA-N 433.504 4.557 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862400064 UXLJRRPPXQVZLI-FQEVSTJZSA-N 443.927 4.995 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(O)c1 1862468494 QBLOABZOOFOOPM-KPZWWZAWSA-N 430.298 4.532 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1c(F)cccc1Cl 1862471383 LACDXRMLOVQRNY-MRXNPFEDSA-N 438.680 4.840 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCC)cc1 1862533246 JXDNXOKAINOAAK-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Br 1862599502 HSAKPDATJHRSPG-XIKOKIGWSA-N 430.298 4.532 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C(C)C)cc1 1862642631 GUAZXLFXBDHZIZ-OAQYLSRUSA-N 427.472 4.610 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862687973 SEBRJMDWBOXDDO-XMMPIXPASA-N 427.500 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C(=O)O)cc1 1862690968 GWEKYCDWNVFARQ-GNSUPJDDSA-N 449.503 4.550 30 10 IJEE COc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862960760 PLDBVFFQKABJBB-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@@H](C)Cc3cc(OC)ccc32)n1 1868246686 OYGSGGHKKWINOQ-KRWDZBQOSA-N 429.524 4.620 30 10 IJEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CSc1nccn1C 1870223061 IMSDALHZVVTALE-UHFFFAOYSA-N 439.581 4.607 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCOc2ccccc2)cn1Cc1ccco1 1870317414 ZCGNFSCJYNWGMQ-UHFFFAOYSA-N 448.563 4.902 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1CCCCCO 1870471584 NFQWDJYZZFGTCE-UHFFFAOYSA-N 438.612 4.887 30 10 IJEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870814006 PQJOFAQNSLKTMK-UHFFFAOYSA-N 439.899 4.944 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872100587 WHLKUADCRPGEDG-CVDCTZTESA-N 428.598 4.788 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 1872605442 VDZYFQKGAZOBHN-QHCPKHFHSA-N 430.614 4.800 30 10 IJEE C=CCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166425 PLUPCYFTFLHWHI-UHFFFAOYSA-N 445.950 4.803 30 10 IJEE CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(Br)cc1 1874250660 OXSCBGYDDMBSKK-HYARGMPZSA-N 445.386 4.965 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccncc1 1874311077 BTEZHCWHARFLJP-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCCCO)cc1 1874347658 ZLJGQMHGRDRHCD-XIEYBQDHSA-N 438.597 4.554 30 10 IJEE Oc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCCc2ccccc2)cc1 1874355370 KUSRTECVMRSXKR-YZSQISJMSA-N 444.560 4.918 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1ccccc1Cl 1874372504 COPNUBYRGCQEOL-LPYMAVHISA-N 449.001 4.706 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc2ccccc12 1874400333 OAXSUAJZNGTGSR-STPJHCLOSA-N 430.533 4.730 30 10 IJEE Cc1ccc(COc2ccc(/C=N/n3c(SCCO)nnc3-c3ccccc3)cc2)cc1 1874430010 OEECCACOXFFJOQ-YZSQISJMSA-N 444.560 4.799 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@H]1CCCO1 1874444474 XQSGBBXGKKXLAW-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE C=CCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874448911 ONOJZHJCYIFKTG-HSJQUHBMSA-N 434.521 4.509 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)cc1OC 1874459562 UFKKSQOESFGUFU-YSURURNPSA-N 440.422 4.628 30 10 IJEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)ccc1O 1874489575 YNKKAHKODLGWAK-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1C1CCC1 1874497184 ZITVHVHMLMLSBJ-YDZHTSKRSA-N 430.574 4.508 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874505068 PAHWUYVEYWLCJW-FSJBWODESA-N 431.924 4.636 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 1875113022 QYAHEVPKOBJOOL-IZZDOVSWSA-N 448.431 4.512 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875159653 UZIXINRYJCRSFY-QLKAYGNNSA-N 436.435 4.723 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1(C)C 1987920960 MCQFZUJKALLEGQ-LJQANCHMSA-N 435.487 4.858 30 10 IJEE CN[C@H](CC#C[Si](C)(C)C)c1ccc(I)c(Br)c1 2067280747 MFIOHRQKLOMZTI-CQSZACIVSA-N 436.207 4.585 30 10 IJEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1O 2079977448 MDJHVJRSVACJCV-KRWDZBQOSA-N 436.350 4.855 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2089291835 MYDOVBMGHMVFPM-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE CCOc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCC2)cc(Br)c1O 2131262105 SGZMWRJTEKMHKB-OAHLLOKOSA-N 425.323 4.908 30 10 IJEE COCC[C@@]1(Nc2cc(Br)cc(C#N)c2)CCCN(C(=O)OC(C)(C)C)C1 2162312553 JGQGFGPEIYYURG-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CCC[C@@]1(CNc2ncc(Br)cc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162415372 OLZTVTYAWKZQPJ-FQEVSTJZSA-N 437.382 4.945 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)CCC1(F)F 2174812408 KRTPXMZWNAOLFO-CYBMUJFWSA-N 448.283 4.589 30 10 IJEE CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)c1cccc(C#N)c1 2181049413 XBWHVWFWCRLIBH-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(C)(C)C(=O)Nc1ccc(Br)cc1C#N 2181109049 ACTSAORLUYZORJ-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE Cc1cc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c(C)cc1Br 2203829737 KVBIFTYLUYRPKM-MRXNPFEDSA-N 438.366 4.982 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 2235733083 SZBBIXXAAQPCHG-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2235747444 PWXMNGHVMDRPSP-CMKODMSKSA-N 435.406 4.862 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2247782345 UEIQGBAAWHDFPW-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE CC(C)(C)OC(=O)NCc1ccccc1NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255608038 GYNROMLMTZCUFU-QAQDUYKDSA-N 430.354 4.522 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2260362736 IIQKHBJKJUMSCL-PXNSSMCTSA-N 447.450 4.865 30 10 IJEE C=CCCC1([C@H](N)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266706939 FOVPGNFQGHTZJA-QGZVFWFLSA-N 425.367 4.661 30 10 IJEE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2267580902 LNSZIRYGQMKEOC-UHFFFAOYSA-N 444.381 4.864 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cccc(OC)c1Br 2292198534 BAHAGQPLGVPPRK-OAQYLSRUSA-N 435.314 4.763 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2296082690 QEAYSRDIFDOMEN-QFIPXVFZSA-N 444.443 4.620 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H](C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2296280908 FPVFKTYYZGRRPS-GJJHYRHESA-N 435.406 4.670 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC)c(OC)c3)ccc2C1=O 2296867190 AZFPJDJXHUNLOH-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2OCCCOc2ccc(OC)cc2)SC1=S 2297347364 AXKYWYFLNMPVPP-UHFFFAOYSA-N 441.574 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317336385 VDOMOMAZCJBPJJ-QFQMRYFISA-N 430.354 4.505 30 10 IJEE CC[C@H](CCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317349885 KKRZSAKDUKHACF-GOSISDBHSA-N 432.370 4.798 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(C1CC1)C3 2322055238 BXJYDMQDRRYZSV-UHFFFAOYSA-N 442.309 4.697 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(S)nnc1CCCOc1ccccc1Cl 2322234865 PDSWXJZEQWSIRB-UHFFFAOYSA-N 430.961 4.901 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1F 2322708594 HOIJIBYVASBEPH-UHFFFAOYSA-N 446.887 4.858 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)cc1 2322872216 GQKNNERGPJXDTF-UHFFFAOYSA-N 434.469 4.607 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2cc(C)c(Cl)cc2OC)cccc1OC 2322926510 CFIAHRBLYRESDV-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C(CC)CC)cc(Br)c1OC 2323486014 VIUVEDHNXJZTQL-UHFFFAOYSA-N 427.368 4.522 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)c1 2325740025 YCSLQTUFXDCKNF-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1cccn1C 2325843244 DFCVZBVGZWPNNQ-UHFFFAOYSA-N 425.602 4.920 30 10 IJEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccnc1 2325883943 JPFJEJJVTSJPRB-UHFFFAOYSA-N 429.549 4.998 30 10 IJEE OCCCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1 2325914364 OWHKXHZEENJCNT-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE CCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)c1 2326618193 YQRIAEZEYDWTQR-UHFFFAOYSA-N 431.359 4.922 30 10 IJEE Cc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2328989075 NIHJAWZFBBQOCE-JOCHJYFZSA-N 447.608 4.794 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccc(O)cc2)cc1 2329278055 DTYYIUPTXCOGTF-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(OC)c(O)c(OC)c1 2329568715 BBFGDODBNDEOHY-UHFFFAOYSA-N 444.944 4.872 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330119273 DHYAYHAYXUEMDD-QGZVFWFLSA-N 436.581 4.875 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331659023 LZZVIEOYVVZRKM-HXUWFJFHSA-N 444.911 4.955 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(OC)c(OC(=O)C2CCC2)c(OC)c1 2331876207 LBQHZTBUEQCNSI-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339593513 HGGQZVLYTLDXHE-PKMDAXGDSA-N 443.397 4.832 30 10 IJEE CCCC#CC[C@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366648713 UMXIQWLFHIYXAN-JSGCOSHPSA-N 425.763 4.601 30 10 IJEE C=C(C)COc1ccc(NC(=S)NC(=O)c2ccc(OCC)c(Br)c2)cc1 9696964 XLSITXPTWFWALP-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)nc2sccc2c1=O 10493688 FQXGZTDWNPRUSF-INIZCTEOSA-N 441.622 4.812 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3c(O)ccc4ccccc34)n2)cc1 20907515 MECLJGNZMHDLSX-ZVHZXABRSA-N 446.536 4.539 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)cc1)c1ccc(Br)cc1 36930702 OLHNALQYKKLDOI-AWEZNQCLSA-N 426.051 4.544 30 10 IJEE C=C(Br)Cn1c(CNC(=O)c2cccc(Br)c2)nc2ccccc21 40278512 UOLINTFTATXRNG-UHFFFAOYSA-N 449.146 4.637 30 10 IJEE Cc1cc(C)c(OCC(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)c(C)c1 40523377 GPVPAGFLXPNFRB-IBGZPJMESA-N 430.504 4.530 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 41285241 HGERTVLWWSTAAQ-HMAPJEAMSA-N 446.455 4.856 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 59016322 MMKDZGDZNGTJIG-GTOPXLJYSA-N 446.458 4.665 30 10 IJEE COc1c(Br)cc(Br)cc1/C=N/NC(=S)Nc1ccccc1 169884440 DRHIDHFMPNILMT-GIJQJNRQSA-N 443.164 4.541 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(OC)cc2)cc1 169921342 OXFIKBPFKVUSTD-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE COc1cc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 169936710 FUASVKAVFFOHAK-QFIPXVFZSA-N 442.968 4.796 30 10 IJEE CCCCCCOc1c(OC)cc(/C=N\NC(=S)NC2CCCCC2)cc1[N+](=O)[O-] 169941805 VXQPCUYMCBFAKR-JCMHNJIXSA-N 436.578 4.693 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)cc1 169959596 WIFRCVQAOGZNTD-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968561 AOVCOFCONQEJSG-QHCPKHFHSA-N 447.437 4.991 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccs1 169982593 MCRTUDQSFCIFBQ-NRFANRHFSA-N 437.492 4.983 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccnc2)c1 170000423 FLGRXSCIXFXGGV-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1C 170025752 PSUQHZIZIRGAJQ-XMMPIXPASA-N 442.515 4.794 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170053504 MPRNXXCZOIZEIJ-VWLOTQADSA-N 440.499 4.747 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)ccc1Cl 170138312 CBJXQTDQORAZLF-NRFANRHFSA-N 441.911 4.965 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1cccs1 170161498 ZXMGSTAWRIBMPD-QFIPXVFZSA-N 446.528 4.668 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1 170174129 PIAQSWODAOIVSO-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4cccc(Br)c4)CC3=O)n2)cc1C 170180311 QANTUWYLHWIQFQ-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1 170190821 YYDODJMNVFGPMS-QHCPKHFHSA-N 439.471 4.525 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)ccc1Cl 170198064 WMEQNZNIYVXLQE-IBGZPJMESA-N 440.908 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170247014 SRMIAJBGZDSCEJ-JOCHJYFZSA-N 449.503 4.991 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265736 CGHJYRIEEPZLCL-ISKFKSNPSA-N 449.547 4.794 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)ccc1OCC(C)C 170292738 NPWSROJSFNOLEB-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)c(C)c1 170296630 KEXXZDFSEKTIJL-JOCHJYFZSA-N 435.451 4.557 30 10 IJEE COc1cc2c(cc1/C=C1/SC(=Nc3cccc(C(F)(F)F)c3)N(C)C1=O)OCO2 252624435 PNUXZIPIYUDPNI-GZOYOVAUSA-N 436.411 4.677 30 10 IJEE C[C@@H](NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 446466752 NOPJAMBOGJEYGN-JLTOFOAXSA-N 427.430 4.623 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)c1nc(C(=O)OCC)cs1 501956216 JTSOSSWFMKXVFE-LLVKDONJSA-N 429.325 4.613 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 505000197 ASXXNZFIWQKRAY-UHFFFAOYSA-N 427.354 4.895 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)cc1OC 526487528 AOSBCWFVZWCZQC-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526822419 IRZKWAJZSFQNJF-QFEZKATASA-N 435.553 4.682 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 549690410 BKGQTEPSDULLLT-HNNXBMFYSA-N 447.370 4.979 30 10 IJEE N#CCCCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 586125616 ZQPZOWWMHWGGQB-UHFFFAOYSA-N 427.751 4.597 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 586257485 DVJKPUCTUYWJRS-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccccc3F)CC2)cc1 586506274 JRACMUZCNYSNII-UHFFFAOYSA-N 433.545 4.570 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c2c(c1)OCCO2 698464245 MZQJZEMCZKFUEG-SWLSCSKDSA-N 425.323 4.821 30 10 IJEE C=CCc1ccc(OC(=O)CCC[S@](=O)c2ccc(Br)cc2)c(OC)c1 735207679 IKEREIQNGRNVOB-SANMLTNESA-N 437.355 4.680 30 10 IJEE C=CCc1cc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(O)c(OC)c1 754726559 LFCKGOQCDGWHJE-JOCHJYFZSA-N 426.944 4.731 30 10 IJEE CN(C(=O)COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C1(C#N)CCCCC1 764055837 JDHGIAKLFDPTEL-WJDWOHSUSA-N 428.838 4.514 30 10 IJEE C#CCN(C(=O)Nc1cccc(N(C)C)c1C)[C@H]1CCOc2ccc(Br)cc21 776031147 BQKBMFWBCREFCB-FQEVSTJZSA-N 442.357 4.814 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(C#N)cc1 777512630 IIBQYIFDRSJKNT-UHFFFAOYSA-O 447.927 4.708 30 10 IJEE C=CCOC(=O)N1CCC(OC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)CC1 790845024 YFROPIUDEGIACX-UHFFFAOYSA-N 428.432 4.567 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(F)cc1 812909467 GRQANIPELQEYJL-LEWJYISDSA-N 434.433 4.986 30 10 IJEE C#CCN(C(=O)c1ccoc1C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 812995989 SBDAOZSICZJOCN-AWEZNQCLSA-N 428.204 4.660 30 10 IJEE CCCC(C)=NNc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 1084059161 CCUPOSBYOJCXRS-UHFFFAOYSA-N 434.875 4.796 30 10 IJEE CC(CC(C)C)=NNc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n[nH]1 1084096114 GLWMONJCSQUDAP-UHFFFAOYSA-N 436.585 4.637 30 10 IJEE CCN(CC)C(=O)CSc1nc2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2s1 1084516227 VRMQBLORRQHIMY-UHFFFAOYSA-N 428.539 4.916 30 10 IJEE C=CCN(C(=O)[C@@H](OC)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124353154 UDADLTWAPRPWNH-FQEVSTJZSA-N 439.493 4.634 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c(OC)c1 1124637060 XNLDNTFLBFHOHC-UHFFFAOYSA-N 446.459 4.580 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(OC3CCCC3)nc2)s1 1125203852 CODIITLMQMJLBD-UHFFFAOYSA-N 438.018 4.871 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 1128431446 BSXJAKHFQUOQOA-OXQOHEQNSA-N 429.973 4.819 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 1128479750 HLNDMSMKODSVRA-UHFFFAOYSA-N 427.342 4.884 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2nn(-c3cccc(F)c3)cc2O)cc1 1140804210 IBAQGFTVNKORMI-UHFFFAOYSA-N 430.464 4.992 30 10 IJEE C#C[C@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1157507793 JQOPGZDKRRTBRX-RXVVDRJESA-N 444.934 4.796 30 10 IJEE C=CCN(C(=O)CN[C@H]1CSC[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1194214304 XKIPBEFVPAGQRN-WBMJQRKESA-N 442.437 4.977 30 10 IJEE C#Cc1ccc(CNC(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)cc1 1235329188 SFOYLMRQZKDLSB-UHFFFAOYSA-N 436.943 4.974 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 1248729179 GLXVJCURKYNDAA-YLJYHZDGSA-N 448.336 4.601 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)CCOc2ccc(Br)cc2)cc1OC 1264043969 ZRWIZBLBLKHXOA-WUXMJOGZSA-N 446.341 4.573 30 10 IJEE C#C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Br)cc1 1275463911 KGZHPJTWDQRBPQ-QGZVFWFLSA-N 444.716 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1286278569 PEAAQUGIOLDGEU-VWNVYAMZSA-N 442.579 4.856 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@@H]1C 1286566923 KINONWAJPIFBJB-RBBKRZOGSA-N 425.621 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286570911 JUISYIHMJAMKPZ-WZONZLPQSA-N 430.980 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(c2ccccc2F)C1 1286574155 VJHLPZIBFVBAPM-FQEVSTJZSA-N 434.563 4.717 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286588519 SBPYIOMMMNEMDX-QGZVFWFLSA-N 445.995 4.916 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286679138 KUZQDWQLZZESLT-LEWJYISDSA-N 437.588 4.619 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CC[S@](=O)C(C)(C)C 1286744991 RBXISDXLDZGGRF-PMERELPUSA-N 442.654 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC1(SC)CCOCC1 1286749459 SOOYHKJDLRSKEN-LJQANCHMSA-N 448.658 4.686 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1Cc2ccccc2C1)C(C)C 1286751796 TXCQHMBXAHKQNB-XMMPIXPASA-N 430.600 4.502 30 10 IJEE CCc1ccc([C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)N(C)C)cc1 1290307966 AWPFGHFKIRCBLU-SANMLTNESA-N 427.548 4.732 30 10 IJEE C[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Br)s1 1291131600 FYYGNYZYFKNGQE-AWEZNQCLSA-N 442.386 4.872 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)c1 1292930607 SLANKPHEIRIFIO-UHFFFAOYSA-N 439.581 4.591 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl 1295794273 CGIUIZHPKQCTCX-UHFFFAOYSA-N 436.947 4.571 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 1300376782 NZRQWYHDFRXXLK-FGZHOGPDSA-N 443.680 4.558 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCCCOC)CC1 1300393119 DKLGZONXVOSVGT-UHFFFAOYSA-N 438.616 4.678 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](OCC=C)C1 1300394829 UAWRKOSSWQRNBD-INIZCTEOSA-N 449.780 4.556 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(Cl)nc1 1300643507 QYXKCDKZLBIXFG-UHFFFAOYSA-N 435.890 4.722 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 1300745014 CMGPYHNJWAUZKL-UHFFFAOYSA-N 434.396 4.748 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1300956084 NMZNZDYPTDMTIP-GOSISDBHSA-N 428.483 4.502 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)c2nccs2)CC1 1301064528 WXUVYFSQOROLFU-SFHVURJKSA-N 436.585 4.564 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2sc(C)nc2C)CC1 1301071130 XUCVJCVIZITNKG-UHFFFAOYSA-N 431.512 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(COC)CC1 1301139765 VOMCDMFJCAJDHW-UHFFFAOYSA-N 436.398 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301143699 OJCZYZDACBVUSS-HXUWFJFHSA-N 439.560 4.587 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1301158565 IYJIRRFQTNPEPQ-GSSBPKBBSA-N 430.618 4.667 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](SC)C1 1301196754 JGEIPIYKAMORSO-IBGZPJMESA-N 448.036 4.550 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1301216619 NNECHCYBFWAADL-UHFFFAOYSA-N 428.625 4.503 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC2(CCC2)C[C@H]1CC 1301240627 DWYZIAOXLNAPAH-QGZVFWFLSA-N 448.409 4.787 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(C=C)cc1 1301310148 LGQJRJXYNRWSGZ-NRFANRHFSA-N 437.588 4.858 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CCc1ccsc1 1301335099 VPKMBUYFZOZAMI-UHFFFAOYSA-N 433.581 4.789 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1ccc(F)cc1 1301415303 QKBNKQLYGZJZDD-UHFFFAOYSA-N 443.954 4.749 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CCCS2)cc1 1304407776 AHANVRXLZMPKLI-HSZRJFAPSA-N 425.602 4.581 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 1309106488 DGJJZBQPGOOUFM-NRFANRHFSA-N 441.350 4.697 30 10 IJEE C=CC[C@H](CC)NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1310317522 YRHCNDBXMMMESM-SFHVURJKSA-N 430.346 4.855 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2 1312853594 WKEGLMDJFCJHFL-OAQYLSRUSA-N 427.589 4.606 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(n2cnc3ccccc3c2=O)CC1)c1ccccc1 1313220441 VWFHSWLMCAZJGU-QHCPKHFHSA-N 430.552 4.841 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 1350086220 YNILYHXALISJER-UHFFFAOYSA-N 440.499 4.936 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(F)cc3ccoc23)c(C(=O)OCC)c1C 1353746398 LZVWMMYSWBFWJF-UHFFFAOYSA-N 431.441 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1cccnc1)C(C)C 1358871932 MDCQKYBVYTVOET-SFYKDHMMSA-N 435.547 4.850 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCc2sccc2C1 1358879629 VLXALHICVDIGTO-LJQANCHMSA-N 447.652 4.820 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@H](F)C1 1358988587 VTUKMFWUADRIKR-MJGOQNOKSA-N 443.364 4.617 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](COCC)C1 1359051841 LLWWLEWCKGUBNX-FQEVSTJZSA-N 440.657 4.862 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOC(C)(C)C)c1ccccc1 1359138437 UPWUVAZLUBSNFJ-UHFFFAOYSA-N 425.964 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1359191690 JQXJJWLREKIBFU-QZTJIDSGSA-N 425.602 4.661 30 10 IJEE C=CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(CC)CC(=C)C)c1ccccc1 1359193532 FSKFPUBXSZUANL-HXUWFJFHSA-N 433.556 4.768 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1359196925 XXZTYCXWKOWDJZ-NHCUHLMSSA-N 445.652 4.538 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359212130 AUGPGQOWPFOXHZ-FQEVSTJZSA-N 439.604 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1 1359272131 LPZXSKDBKKLCEQ-UHFFFAOYSA-N 437.588 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCc2cccnc21 1359274706 XEVVWCGCVJZOSK-HXUWFJFHSA-N 433.531 4.690 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)C/C(C)=C/c1ccccc1 1359284075 OSJJKSGIQCSPMM-FOWTUZBSSA-N 426.362 4.772 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1359290792 PNZBAVRXRSMEMY-KCZVDYSFSA-N 440.588 4.741 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1 1436641248 HCVIIXYOAXMUGO-HXUWFJFHSA-N 429.314 4.762 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC)c1ccc(Cl)cc1F 1436654312 ZIEHTULOODFBMF-IPMKNSEASA-N 432.879 4.533 30 10 IJEE C=CCC[C@@H](C(=O)NCCCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 1442291834 DBSOXKIMADKORI-JOCHJYFZSA-N 426.004 4.718 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)c1ccccn1 1456797494 KXZDSFFNBPZUII-VQTJNVASSA-N 429.948 4.518 30 10 IJEE C=CCn1c(SC[C@@H]2CNC(=O)C2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1458750017 DDTLFOIKRKCDAC-GOEBONIOSA-N 430.643 4.572 30 10 IJEE C[C@H](c1ccccc1)N(CC1CCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1463129064 BMYVNNRWRHGRGR-OAHLLOKOSA-N 433.371 4.873 30 10 IJEE C#CCN(C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1)C1CSC1 1466341496 RMKROTIILRIICS-UHFFFAOYSA-N 435.318 4.963 30 10 IJEE COc1cc(F)cc(C[C@@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 1468925079 HMDPXXFMXANSOK-MRXNPFEDSA-N 443.950 4.713 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1470076280 NANJMDULSVNQQP-AZUAARDMSA-N 446.378 4.975 30 10 IJEE C=CCCC[C@@H](NC(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12)c1ccccc1 1471585821 HZABROGNWDKJHN-HXUWFJFHSA-N 443.503 4.820 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1cccc(OC)c1 1472999472 SEQFCMSFKOCSSG-ZWKOTPCHSA-N 448.592 4.988 30 10 IJEE C#CCN(Cc1cccc(Br)n1)[C@H]1CCOc2ccc(Br)cc21 1473169122 UYQQSJYIJQWTDA-INIZCTEOSA-N 436.147 4.566 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 1473352040 BTSCHIILFPVYDT-NHCUHLMSSA-N 430.777 4.972 30 10 IJEE CCN([C@H](C)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 1475517331 AUFLLNZYEJENSB-CYBMUJFWSA-N 430.879 4.872 30 10 IJEE CCCCC1CCC(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1477574099 DFFITGUQQVQOEM-UHFFFAOYSA-N 434.588 4.529 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 1478313030 XIWAOEPVCBDNGC-YWZLYKJASA-N 433.321 4.509 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](OCC)C1 1507555264 KXFWLNVJXOCMOU-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)Cc1cnn(C)c1C 1507579114 LCVPXMYYXDWJKF-UHFFFAOYSA-N 438.988 4.905 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)CCc1ccc(Cl)cc1 1507756694 XOXFHMIVOUTLGZ-UHFFFAOYSA-N 431.030 4.629 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1507775205 INIVBMDVKFQRDL-ZDUSSCGKSA-N 434.338 4.777 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC 1507799752 ZZBUZEATXPUBNL-RDTXWAMCSA-N 437.357 4.674 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(CN(C)CCCC)CC2)nnc1C(C)(C)C 1507811244 PCQHDOYSNIZQNH-FCHUYYIVSA-N 431.669 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1cccc(Cl)c1 1507818844 XQIBEZYTNBLDLL-QFIPXVFZSA-N 446.382 4.957 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1507858608 GUUISOKJBQIACA-GOSISDBHSA-N 439.810 4.794 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H](OC)C(C)(C)C)CC1 1507909465 GLTMIWHFASHTRD-QFIPXVFZSA-N 442.604 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]2CCC[C@H]21 1507920304 UNCMVVAWDLHJRR-QZTJIDSGSA-N 427.618 4.641 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1nc2cccc(Cl)c2n1C 1507928657 IRGYOCOZNBGEJI-QGZVFWFLSA-N 442.995 4.553 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@H]1CCCO[C@H]1C(C)C 1507999990 SVEKQJOREFARPO-NOZRDPDXSA-N 433.600 4.746 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCCC1CCOCC1 1508000450 WTPJDIAVQDVINP-UHFFFAOYSA-N 430.556 4.544 30 10 IJEE O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cn(Cc2cccc(F)c2)nn1 1515092398 FCQJUWOPLQOMAA-MRXNPFEDSA-N 447.310 4.945 30 10 IJEE CCN(CC)CCn1ccc2cc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)ccc21 1519747157 DOGDGSKQMKUESN-UHFFFAOYSA-N 449.624 4.906 30 10 IJEE CSc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@@H](C)CC#N)ccn1 1520051312 DVNIAZZOZPNTQD-ZDUSSCGKSA-N 430.940 4.641 30 10 IJEE N#Cc1cc(NC(=O)CN2CCCCCC2=O)ccc1Oc1ccc(C(F)(F)F)cc1 1523917869 CVJFAPHFIHYAPR-UHFFFAOYSA-N 431.414 4.710 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(OC2CCOCC2)cc1 1526174494 BKWCHZQQAYDKFJ-MRXNPFEDSA-N 432.442 4.818 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)Cc2ccc(SCC)cc2Br)cc1 1526223920 LGKQQBZBTLEDMH-UHFFFAOYSA-N 433.371 4.658 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1OC 1529299856 YMOOBEHFERFAAM-TWGQIWQCSA-N 441.890 4.949 30 10 IJEE CCn1c(NC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)nc2cc(C#N)ccc21 1535718079 CZULFPNQVWKSHX-UHFFFAOYSA-N 428.496 4.819 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)c1ccccn1 1538984265 FIOGTYVWWNXZQU-MRXNPFEDSA-N 438.373 4.538 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccncc1Cl 1539296401 PNSKPAKBMVSQRD-HXUWFJFHSA-N 447.970 4.595 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1539490825 ILBXOJYVJDNCNT-NHCUHLMSSA-N 431.694 4.639 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](CCC)C1 1539989919 AICRTKARWVGOCQ-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCOC1 1540029541 URWBQDYUPOSKFF-FQEVSTJZSA-N 426.605 4.698 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1c(CC)noc1C)C1CC1 1540098983 OUOJOZDDCPGJQP-UHFFFAOYSA-N 442.361 4.770 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCc2ccccc2C1 1540158819 RHUDHKVQXHIKGF-UHFFFAOYSA-N 449.002 4.620 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1540866754 YXUNBNUGKONMNS-ZSZQSSIHSA-N 448.398 4.569 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](CCC)C1 1540910793 HUQBMLJJDWRVNS-QGZVFWFLSA-N 437.009 4.532 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CC2CCCCC2)CC1 1540911866 FIOSCPXRDBXKGS-UHFFFAOYSA-N 439.673 4.875 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CN(C(=O)OC(C)(C)C)C1 1542196323 IPLSKNDBJWLAGE-UHFFFAOYSA-N 436.556 4.638 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Nc3nccc(C)n3)c2)cc1 1542327282 XTQSBBGGGYWSGT-UHFFFAOYSA-N 427.508 4.595 30 10 IJEE C[C@H]1C[C@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCC2)C1 1543523033 HUQYSAHRJGGCHG-PMACEKPBSA-N 434.632 4.810 30 10 IJEE C=CCc1cc(C(=O)N2CCc3c(F)ccc(Br)c3C2)cc(OC)c1OC 1544789128 RTIWGRCYJLSBFH-UHFFFAOYSA-N 434.305 4.532 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 1557977408 FAGRDSFRLKQHFR-UHFFFAOYSA-N 436.874 4.500 30 10 IJEE C[C@@H]1CN(c2ccc(NCc3cccc(OCc4cccc(C#N)c4)c3)cn2)C[C@@H](C)O1 1560458706 BVXGYWKKVRTDKY-WOJBJXKFSA-N 428.536 4.758 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1562406096 WMTYMKRQYBDPQC-XMSQKQJNSA-N 433.618 4.896 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCC1(c2ccc(Br)s2)CCC1 1564063494 UXOBAWZWMCEQHV-UHFFFAOYSA-N 435.387 4.997 30 10 IJEE C#CC[C@H](NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 1564385771 ROWPUMVBRBJUML-VXKWHMMOSA-N 439.600 4.818 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 1564997619 LZWPJJLHXBXOGT-QHCPKHFHSA-N 442.494 4.912 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1ccc(Br)c(Br)c1 1565403353 WYFTULAOZGASLC-UHFFFAOYSA-N 442.151 4.745 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(CC)c1C(=O)OCC 1565948132 GYGHEINVVLKWHF-CQSZACIVSA-N 444.981 4.770 30 10 IJEE Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCc2cc(C#N)ccc21 1583640604 DTWYLZSPSUBNQD-UHFFFAOYSA-N 425.319 4.799 30 10 IJEE C=C[C@@H](CC(=O)NCc1ccc(I)cc1Cl)c1ccccc1 1585818222 WWVHSOYOFVPBSK-ZDUSSCGKSA-N 425.697 4.921 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1587723296 HRRXKMGVJCPOTA-NRFANRHFSA-N 437.975 4.665 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@](C)(O)c1cc(C)oc1C 1589150022 BQKNYXATMVYZIM-GDKKVTFASA-N 446.595 4.930 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 1589459895 GHHMQPOELUSSDA-MWQQHZPXSA-N 425.415 4.730 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC2(CCOCC2)C1 1594698759 WWNNTDZQDDXWJR-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1595335500 SFHNPBZANPWIPV-INIZCTEOSA-N 437.569 4.905 30 10 IJEE N#Cc1cc(Cl)c(C(=O)Nc2ccc(NC(=O)CCN3CCCCC3)cc2)c(Cl)c1 1610962949 FXFGGQHQZHTNIK-UHFFFAOYSA-N 445.350 4.932 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1 1616817906 LNXLUZCKGSTWRA-JWRCQZCYSA-N 425.579 4.752 30 10 IJEE COCC(C)(C)CCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1619561136 HKHLKSLSXNTYJF-RUZDIDTESA-N 439.604 4.748 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1622724401 LKXFVFUYCAOPAE-UHFFFAOYSA-N 441.597 4.862 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)[C@H](Oc3ccc(F)cc3Cl)c3ccccc3)C2)cc1 1624808953 GBSHKLFMNSAMDC-HSZRJFAPSA-N 436.870 4.761 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)OC)c2ccccc2c1)c1ccc(Br)cc1 1627158412 QMWSGBWWASZOQY-HXUWFJFHSA-N 437.293 4.885 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)c1 1630433518 OGDLOEHBBRVKLH-XMMPIXPASA-N 428.532 4.777 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 1631026201 JKMQJXYVDKPNJD-UYAOXDASSA-N 432.561 4.823 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccon1 1634107639 MCELSAPGJFCGAZ-XMMPIXPASA-N 445.519 4.507 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1)[C@@H]1CCCO1 1634470705 XXWWXDIIJUZOEA-IRLDBZIGSA-N 428.529 4.662 30 10 IJEE C[C@@H]1CC(=NC(=O)CCc2c(-c3ccccc3)[nH]c3c(Br)cccc23)NO1 1637839938 BJAYLYOQZZWCTO-CYBMUJFWSA-N 426.314 4.769 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)C(=O)OC 1638394493 AKSUNZMDNPNWRO-INIZCTEOSA-N 431.945 4.677 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)C(=O)OC 1640684455 ZYBISRBZLOWLBV-GOSISDBHSA-N 440.590 4.595 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2occc2CN2C(=O)Cc3ccccc32)cc1C#N 1641182921 BYVVFRCKJFIPMB-UHFFFAOYSA-N 429.476 4.670 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCCCCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1643337921 HPTXFFIIUNPWCD-GJZGRUSLSA-N 433.643 4.556 30 10 IJEE C=CCn1c(SCCCOc2ccc3c(c2)OCO3)nc2sc(C)c(C)c2c1=O 1643463883 AHPPIWBMMVTKJW-UHFFFAOYSA-N 430.551 4.551 30 10 IJEE Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 1652569316 DKHOKQWDDLYTMS-VIFPVBQESA-N 445.369 4.721 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CC[C@@H](c4c(F)cccc4F)C3)c2C#N)C1 1655547957 DIRMQZFGEKKQKA-LSDHHAIUSA-N 429.536 4.841 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCc3ccccc3OC2)cc1 1658869432 HYTIMLRHDQSUMJ-FQEVSTJZSA-N 429.476 4.874 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H]1CCN(c2ccc(Cl)cc2)C1 1661200338 SZKULLZVSWUFAB-INIZCTEOSA-N 433.777 4.731 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCSc2ccc(Cl)cc21 1661755800 BZOYFDDJCQNQJL-AWEZNQCLSA-N 432.876 4.746 30 10 IJEE Cc1cc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)ncc1C#N 1663853472 HYJOQCOEOWZYRY-OAQYLSRUSA-N 425.964 4.680 30 10 IJEE COc1ccc(C[C@@H](NC(=O)Nc2ccc(OC)c(C#N)c2)c2ccc(OC)cc2)cc1 1664152432 DAKSQPVPHGSLQI-HSZRJFAPSA-N 431.492 4.690 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(C)C 1668082424 YSHLNYMKIDGDTE-QGZVFWFLSA-N 437.466 4.576 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@H](Cc2cccc3ccccc23)C(=O)OC)c1 1668204161 YVWVLWMBGBCRAI-OAQYLSRUSA-N 432.520 4.948 30 10 IJEE C=CC[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccncc1 1669191355 FJRPWBNSOZWQOA-JIMJEQGWSA-N 426.564 4.666 30 10 IJEE CC(C)(C)c1cc(NC(=O)NC[C@@H](O)c2ccccc2Cl)n(-c2ccc(C#N)cc2)n1 1669880529 CKKBCLNKPXQEJX-LJQANCHMSA-N 437.931 4.550 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1676242341 IXTNICBEYXBPJK-AREMUKBSSA-N 428.532 4.833 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 1676328477 SSMRTIRQCAQAFS-OAQYLSRUSA-N 425.960 4.843 30 10 IJEE C=CCCSCCNC(=O)N(Cc1ccc(C)cc1Br)C[C@H]1CCCO1 1682532157 JKSWGIRTHLEAIX-GOSISDBHSA-N 441.435 4.757 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)C1 1684412569 MDFFWADONNTLBY-RDPSFJRHSA-N 440.609 4.794 30 10 IJEE C=C(C)[C@H](NC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1686173821 POHKDFDVOSFZJW-FQEVSTJZSA-N 437.531 4.918 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CC2(CCOCC2)C1 1690059360 OKCFIEPHWWMMJR-SFHVURJKSA-N 442.991 4.738 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1690306772 FAXNBVBSWMRFEU-UHFFFAOYSA-N 437.632 4.547 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1690338656 FHDVPEGDMJNTKK-OAHLLOKOSA-N 430.915 4.727 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOc2ccc(OC)cc2)CC1 1690368500 ADNADIKKLSVLKY-UHFFFAOYSA-N 439.947 4.628 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1690412512 UFKIMKMZQPEEJS-IBGZPJMESA-N 428.024 4.657 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690436210 NLYVDKOIEUUPNF-FQEVSTJZSA-N 439.633 4.583 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2ccnn2C)CC1 1690476364 AFVSOWJTCOYARG-UHFFFAOYSA-N 440.979 4.691 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C1CC1)N(C)C 1690515735 SCLGFNZPIJVLSW-PXNSSMCTSA-N 432.012 4.651 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)C(=O)NC)C1CC1 1690538494 KDTVQXDEBHJNAD-UHFFFAOYSA-N 444.004 4.740 30 10 IJEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1cccs1 1696668235 AWZPXXREJPDWLM-UHFFFAOYSA-N 449.502 4.767 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705600776 LWFAXCSJLOEDND-VXKWHMMOSA-N 442.529 4.895 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705749001 HPCXALLNIRCBOJ-IERDGZPVSA-N 442.947 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1705793152 NSZQYPMYNIHMML-OAQYLSRUSA-N 428.024 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)(F)F 1705865856 ZCHNHPNWDIWAFE-UHFFFAOYSA-N 447.486 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCO[C@H]1CCCC[C@H]1C 1705867214 JUYGOPULYLMQOH-HLAWJBBLSA-N 430.618 4.979 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)[C@H](C)C1CCC1 1705896856 ZZCWJTDYPBGSPP-QGZVFWFLSA-N 441.645 4.593 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2sccc2C)C1 1705914396 ANBUWRMHDSORNE-ROUUACIJSA-N 442.560 4.757 30 10 IJEE Cc1ncsc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N 1707002001 IENNBEUKJOTQCH-LBPRGKRZSA-N 435.384 4.855 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCCC1 1722343553 CSPCEFIKYRWWJL-IBGZPJMESA-N 444.023 4.632 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H]1CCO[C@H](C)C1 1722392961 OZTXIZVXTFZVQS-QZTJIDSGSA-N 445.394 4.920 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1CCCC[C@H]1C 1722414486 YGMGFKWWJRIYBJ-HXUWFJFHSA-N 428.024 4.636 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccc(C)o1 1722457330 WVNYIHRJLXGUPK-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCCc2sccc2C1)c1ccccc1 1722539200 IROLOEQOKLPGDT-LJQANCHMSA-N 438.597 4.730 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1722592595 WQXLHXGBZCCOFJ-LJQANCHMSA-N 439.560 4.852 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F)c1cccnc1 1723109104 COWRTGDCXHKVJB-IBGZPJMESA-N 428.462 4.650 30 10 IJEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2ccco2)C1 1730427102 GTHZGBMOKFHLKM-OAQYLSRUSA-N 433.556 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccsc1 1740539393 PFMXHVSCMYCSIX-QMHKHESXSA-N 440.638 4.703 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740664896 IBHDHRHWLSURQN-HNNXBMFYSA-N 425.989 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCOC1 1740733506 HASJFOJZAHDRRN-HFZDXXHNSA-N 436.600 4.708 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1740744675 DRRHLEACDJOOHW-IBGZPJMESA-N 433.394 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC=C(C)C1 1740847959 YPNLWPMLALVFFF-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(c2cccc(F)c2)CC1 1740892585 JIIAJIPVQSPFMQ-UHFFFAOYSA-N 444.352 4.539 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCN(C)C1CCCCC1 1740919197 XWPABJFRVSYSGI-UHFFFAOYSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)[C@H](C)CC 1740921289 PLSYABNEFZDGGG-IQGLISFBSA-N 437.563 4.777 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CC(F)(F)CO1 1740927252 BNNRDAQYLPLWJS-KRWDZBQOSA-N 434.556 4.878 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2CCOCC2)C1 1740975209 NAYCZZHFWSBSRE-HSZRJFAPSA-N 438.616 4.841 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc2sccc2c1 1741515999 CWKDDXBAOUJQRH-UHFFFAOYSA-N 433.585 4.708 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1748709389 TVSGKEURABKHIS-XMMPIXPASA-N 444.627 4.569 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1748735886 XOHOXWOYRFGFAZ-LJQANCHMSA-N 432.515 4.744 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(CC)s1 1748945698 XVXKRMYTXKFSQF-QFIPXVFZSA-N 438.572 4.971 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](CCC)C1 1749447617 IZFOLMDJPRXNSE-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1nc(C)cs1 1749547315 OCVCOHRNBZANQN-QFBILLFUSA-N 441.576 4.682 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)N2CCCC2)C1 1749692779 AKCHIMNFHVXEJA-XZOQPEGZSA-N 437.632 4.502 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1749762478 WIVOTTABXFUYMM-QFIPXVFZSA-N 435.597 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](c1ccccc1)N(C)C 1760104062 RFBFCTYHMOHPHO-XQBPLPMBSA-N 447.652 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(Cl)nc1 1760108164 ZHQLLLCJGOXRPQ-QGZVFWFLSA-N 447.926 4.672 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760152393 LBKHNHWHPGHZCH-CALCHBBNSA-N 425.483 4.741 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc(C(C)C)cs1 1760194949 TWYFQBMTTOYVMK-HXUWFJFHSA-N 447.608 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC[C@H](O)C1 1760288377 AOBKLAMXEUNYAM-OYSWMMLKSA-N 436.600 4.578 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1 1760312646 BPLWLXIBOYOBGR-BJKOFHAPSA-N 438.616 4.816 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1760317661 IRUOBCKBUFJTFO-BVSLBCMMSA-N 442.629 4.513 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1760345767 SMMJZKSCCKTERW-HUUCEWRRSA-N 441.523 4.955 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N1CCC(C(=O)NCCCC)CC1)c1ccccc1 1760363633 RSQAFKAVRVTOEV-UHFFFAOYSA-N 435.616 4.782 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(F)cn2)CC1 1760398386 WFWNXIIHBQQMEU-UHFFFAOYSA-N 429.446 4.531 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CCC2CCN(CC)CC2)CC1 1760404523 FSSLJEYPVJVCJX-UHFFFAOYSA-N 435.660 4.978 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1760416723 LKKJCWLDGRYTRT-KRWDZBQOSA-N 448.398 4.676 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760426620 YPWYKHGSCJPKLS-GOSISDBHSA-N 440.542 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCCN1CCCC[C@@H]1C 1760487516 WLKRRIPUXNONTO-SFTDATJTSA-N 443.661 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCc1ccc(Br)s1 1760494791 UWZODJQUIZUQNI-UHFFFAOYSA-N 444.402 4.894 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(Cc1cccs1)C1CC1 1760510882 SYTOXBBYRYKTMR-KRWDZBQOSA-N 443.617 4.809 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1)C1CCCC1 1764764423 AHUQZLBOCIBDCB-NHCUHLMSSA-N 434.632 4.954 30 10 IJEE COc1ccccc1/C=C1/SC(=NN=Cc2ccccc2F)N(Cc2ccco2)C1=O 1772758735 CGLFVFTXMWLSFL-PFZYSIKNSA-N 435.480 4.934 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862476803 FGJJYLLCKDMTOF-HSZRJFAPSA-N 446.572 4.944 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862539992 CUTFLUMEKKFJPK-XCLFUZPHSA-N 443.927 4.993 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1862584050 OYTNCHFHKSOFKB-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1cccc(F)c1)c1cccc(O)c1 1862590234 DSSMYRQUXCFHSS-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1C 1862605368 RUUOKPICNTWLNC-HSZRJFAPSA-N 435.520 4.925 30 10 IJEE CCOc1ccc(C2=C(Nc3cc(C)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862834907 BNZIWIQNVWZKAJ-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2cc(F)ccc2F)C1=O 1862947500 BKBXCRSLRMQBPG-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CC(C)Oc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccs2)C1=O 1863107307 HUOIYZFICWEAFB-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CCOC)C1=O 1863565368 VUDVVXKDCBMHPH-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1cccc(C)c1 1870348209 NXUSDNHUYRVKCM-UHFFFAOYSA-N 439.559 4.830 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1ccc(CC)cc1 1870901445 JWWFMECPBCVYPN-UHFFFAOYSA-N 446.547 4.756 30 10 IJEE CCCCCCCCn1cc(OC)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1870997053 HRHKXAQMGCFOEK-UHFFFAOYSA-N 440.632 4.581 30 10 IJEE C[C@H](NS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccc2c(c1)CCCC2 1871286061 NNEADIQFDGDCJC-AWEZNQCLSA-N 441.940 4.785 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872088673 XOGJZGKIGCPJJI-QVKFZJNVSA-N 436.524 4.503 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872132051 ALQMUPHBAWKMBE-OAQYLSRUSA-N 446.638 4.549 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1872157679 NFDVBIQYSIZFHT-WZONZLPQSA-N 441.597 4.764 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CCC 1872193296 OYKYINYKKLJLRT-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872454605 YFRXKKXGODRJRJ-HXUWFJFHSA-N 438.952 4.628 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(CCC3=CCCCC3)C2=O)c1 1873315564 XALWMIDBDIARGZ-UHFFFAOYSA-N 433.458 4.919 30 10 IJEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3ccccc3)C2=O)c(C)c1 1873322002 CBEHDPPUSOEHSH-UHFFFAOYSA-N 435.527 4.918 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Cl)c(Cl)c1)n2CCCOC 1873612792 LMSTUWJATVZAQV-UHFFFAOYSA-N 434.327 4.625 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCCO)n1/N=C/c1ccccc1Cl 1874250946 DKBQBAYPJWBLPD-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE Cc1ccsc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(F)(F)F 1874461090 VWFHVMBVIKFMIJ-DNTJNYDQSA-N 427.433 4.750 30 10 IJEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874483308 PBVKLOJVFFNUAO-WSDLNYQXSA-N 425.514 4.672 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc(F)c1)c1ccccc1 1874497780 ZZOYSDAMABNCCJ-FRQJIFLKSA-N 437.544 4.536 30 10 IJEE COCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874500551 SWHCUJWTHAJWAI-UFFVCSGVSA-N 435.322 4.501 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2F)o1 1874513419 WWTSATLUIQJFLZ-AUEPDCJTSA-N 434.468 4.624 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(N)=O)cc1OCCC 1874576203 BTIQPEPPYYMWPI-VMPITWQZSA-N 431.916 4.678 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1F 1874621856 YJFPOFLNVMIYJT-PMXLPMHFSA-N 433.479 4.987 30 10 IJEE N#Cc1cccc(NC(=O)N2CCC(c3ccc4cc(-c5cccnc5)cnc4n3)CC2)c1 1890930960 CHSLNXYTXDDMCM-UHFFFAOYSA-N 434.503 4.975 30 10 IJEE CC1(C)OB(c2cc(F)cc(CN3CC[C@]3(C)CCOCc3ccccc3)c2)OC1(C)C 1892546001 IAFNZJVYTHRCRW-AREMUKBSSA-N 439.380 4.696 30 10 IJEE CC[C@H]1C[C@](C#N)(N(CCN(CC)CC)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942582306 YIVHHPGTXVSMRI-WIOPSUGQSA-N 428.621 4.512 30 10 IJEE N#Cc1ccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1952788377 IKLJNXWUKLLYDJ-ZCYQVOJMSA-N 438.483 4.955 30 10 IJEE C#CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 1962754895 GSGBELRDDRMHAI-AREMUKBSSA-N 444.575 4.954 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2000547917 KUJTVJGLRNUQPN-YJPQMCDFSA-N 434.541 4.509 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(CCOC)CCCN1C(=O)OC(C)(C)C 2023624755 PFMUCYMOCDHCSL-RDGATRHJSA-N 432.605 4.544 30 10 IJEE CCC[C@@]1(C)CSC(=Nc2cc(Br)ccc2I)N1 2029944472 JFUMRTIPJRVPNC-ZDUSSCGKSA-N 439.160 4.936 30 10 IJEE Cc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)c(O)c1 2079049190 ZTZDFVKNDATWOR-AWEZNQCLSA-N 443.235 4.701 30 10 IJEE Nc1c(C(=O)O)c(C(F)(F)F)nn1[C@@H](c1ccc(C(F)(F)F)c(F)c1)C1CCC1 2080047800 JPQUZVRBMIKGMN-GFCCVEGCSA-N 425.304 4.730 30 10 IJEE CC(=O)Oc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2Br)C2(C)CC2)cc1 2080080697 YDJOJYOXTICNJP-GOSISDBHSA-N 428.330 4.884 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1F 2080127385 UBXKMLKVSLPFCX-CQSZACIVSA-N 449.214 4.690 30 10 IJEE CC(C)c1nn2c(O)c(C#N)cnc2c1-c1ccc(C(F)(F)F)cc1Br 2081159239 IPFJJSXSPRNMLH-UHFFFAOYSA-N 425.208 4.878 30 10 IJEE CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2118198935 MJFIUGQKOQDIMQ-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC1(C)OB(c2cccc(OCc3ccc(Br)c(F)c3F)c2)OC1(C)C 2154470172 OWTIMGHQYPOSIL-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE N#C[C@]1(Nc2ccc(Br)cc2)CN(Cc2ccccc2)C2(CCOCC2)C1 2156317749 GNGGJDXXEOPNKB-NRFANRHFSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2cc(Br)ccc2C#N)(C(F)F)CC1 2227498233 ZDSWCFCRSMCOGW-UHFFFAOYSA-N 430.293 4.767 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 2235730463 VEWMXKQDZZXKLZ-COFLGROHSA-N 435.406 4.862 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2cccc(Br)c2)cs1 2278739902 NANAGKJUXQLKLK-GFCCVEGCSA-N 435.343 4.726 30 10 IJEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCc1ccccc1)Cc1ccccc1 2282567646 QQCZDYOTBXKHHX-UHFFFAOYSA-N 445.368 4.772 30 10 IJEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1cccc(OCc2ccccc2)c1 2282665567 QNTKGBLRPPPDIG-UHFFFAOYSA-N 446.356 4.639 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CC[C@@]2(C)CCOCc2ccccc2)c1 2282688770 YZANJNVDIZQWNM-MHZLTWQESA-N 449.400 4.506 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 2296290615 FMJNFYLJISNPIA-PMACEKPBSA-N 435.406 4.720 30 10 IJEE C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=NOCC(=O)NCc5ccco5)CC[C@@]43C)[C@H]1CC[C@H]2O 2297639955 VUKILELVYWEYTE-QQINFNOISA-N 440.584 4.592 30 10 IJEE COc1ccccc1C=NN=C1SC(=Cc2ccccc2OC)C(=O)N1Cc1ccco1 2314819033 QOVCGYYQHOPYSA-UHFFFAOYSA-N 447.516 4.803 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317336373 VAWSCJCTJGSRGP-HHNLSAEISA-N 430.354 4.505 30 10 IJEE CC(C)(C)OC(=O)NCC1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2317348367 MOTXTQCTOUNPAI-UHFFFAOYSA-N 430.354 4.552 30 10 IJEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)c([N+](=O)[O-])c1)c1ccccc1 2323812658 PWJDIARHUOJQDN-UHFFFAOYSA-N 427.416 4.719 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(OC)c1)C2=O 2325737183 OGEZQPKCCBUHQI-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE COc1ccc(OCCCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2326253962 CKADXDOKWUUDFZ-UHFFFAOYSA-N 447.564 4.801 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1c[nH]c2ccccc12 2326269327 ZZLDSSUTYRCBLB-UHFFFAOYSA-N 447.564 4.940 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(C)c1 2326603825 QMCNQTYBLRETFQ-UHFFFAOYSA-N 444.560 4.672 30 10 IJEE COc1cc(C=Nn2c(COc3cccc(C)c3C)nnc2SC)ccc1OC(C)C 2328817266 QSWNMMUQQGDTER-UHFFFAOYSA-N 440.569 4.874 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(F)cc2)o1 2330841028 ZBTCPCGBCBPXTG-UHFFFAOYSA-N 430.505 4.560 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@H]1CCCO1 2330893244 XQSGBBXGKKXLAW-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2F)cc1 2331430245 XOFAOTWPBLKYBL-UHFFFAOYSA-N 439.560 4.791 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 2331530134 CPHXHNVALDWZBT-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(C(=O)OC)cc1 2331651935 GOTXYLKUVXQMAX-UHFFFAOYSA-N 428.945 4.845 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2cn(C)c3ccccc23)c1 2331727374 IJWOMYPDXLQXIW-UHFFFAOYSA-N 444.564 4.569 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C#Cc1cccs1 2338391708 XUPLPXALJDDLSU-KRWDZBQOSA-N 434.355 4.567 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CCc1ccc(OC)cc1Br)NCC 2364848475 HQIPHFJKKOWENP-RBUKOAKNSA-N 441.410 4.838 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@@H]2c1ccncc1 9781116 BAKWBQZYAPUYOB-HXUWFJFHSA-N 435.528 4.763 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1 9861161 VFOOEMDTYCBPTA-RUZDIDTESA-N 444.579 4.843 30 10 IJEE CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2 17098069 FFPMSRISPKHFGI-JOCHJYFZSA-N 432.549 4.991 30 10 IJEE CC1CCN(S(=O)(=O)c2cccc(-c3csc(N/N=C/c4cccs4)n3)c2)CC1 33960106 TZTAQWMNQHIOBE-FYJGNVAPSA-N 446.623 4.738 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2cc(OC)ccc2O)C1=O 36258514 RBUWGLMZZPMAAR-GZTJUZNOSA-N 431.897 4.598 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCOC)c1 38705553 LJDYHPIQGLNCQF-RUZDIDTESA-N 447.535 4.546 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)cc(C)c3C2=O)c(OC)c1OC 41250222 VTZQMZZQIHHSEQ-WQRHYEAKSA-N 426.465 4.589 30 10 IJEE Cc1ccc(-c2csc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)n2)cc1[N+](=O)[O-] 96994362 WEHAZQUUPVWQLA-UHFFFAOYSA-N 433.449 4.843 30 10 IJEE COc1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c(OC)c1 100130449 BJDMESQGFGJPAN-NRFANRHFSA-N 428.525 4.563 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(CC)C(C)=C2C(C)=O)ccc1OCc1ccc(F)cc1 169933289 JJABXSVUFYWKCV-QHCPKHFHSA-N 442.556 4.918 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC)c2OC)cc1 169951355 IHWDHUYGTHCEMJ-QFIPXVFZSA-N 435.520 4.787 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)c1 169957676 ALFUQVDSMGEBTN-QHCPKHFHSA-N 441.439 4.930 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(C)o2)cc1 170101416 PKQWODFYSBLYSU-OAQYLSRUSA-N 448.431 4.678 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170102455 MOHQJCBAQXYUTA-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170134437 VOJWLABSHCQRKI-QHCPKHFHSA-N 425.440 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1C 170202778 MLSOOYIUIAWKDY-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1 170231093 VSUYDTFBOHXPIT-OAQYLSRUSA-N 448.906 4.831 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccc(F)cc1 170243180 IPOYRSFPJVUAQE-FQEVSTJZSA-N 447.890 4.875 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)c1 170258413 VLVCGXMCFQBFRM-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(O)c2)cc1 170258899 RDRHSOOZGUPFQM-HSZRJFAPSA-N 445.471 4.668 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)c1 170292839 KXEPUVUYSFLNSX-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1 170296797 BRWQLCVQSZWSJK-QFIPXVFZSA-N 435.451 4.557 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303472 QSUJGZHINIILCX-IBGZPJMESA-N 438.823 4.933 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(C)o1 170304275 XHKBQMZBQIWJSJ-HSZRJFAPSA-N 445.471 4.705 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305846 NGLKOCCEJHRFFI-IBGZPJMESA-N 440.358 4.557 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2ccccn2)o1 170307217 LINRUFKGMAKOLA-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1ccccc1 170314800 VSTPUQRVAAYDTR-HXUWFJFHSA-N 433.485 4.611 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)o1 170401863 HYINQBNNAVBKAP-JOCHJYFZSA-N 432.476 4.954 30 10 IJEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170407377 DIRIFIAJADKMHD-QFIPXVFZSA-N 431.444 4.605 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1 170456856 GLBDICZPOJYHGC-HSZRJFAPSA-N 428.488 4.995 30 10 IJEE N#CC1CCC(CNC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 441008090 IOOUBYXDMPGEJP-PVWAMWICSA-N 439.943 4.830 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(=Cc3ccccc3F)CC2)CC1 446622423 DGZVFTSUJYSMRU-UHFFFAOYSA-N 434.515 4.671 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)cc1Cl 492107217 OPNZVIBVHXHVAP-AEFFLSMTSA-N 431.870 4.628 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 508912174 DZPDAUNZRDQFEM-HOIFWPIMSA-N 440.494 4.849 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[S@](=O)C(CC)(CC)C1 508955430 GLQQMWWJGSTRSS-HKBQPEDESA-N 444.645 4.602 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2ccccc2S[C@H](C)CC#N)c2nccn2C)cc1 517530516 VEJNWTFTALOGEC-IERDGZPVSA-N 435.553 4.734 30 10 IJEE COc1cc(OC)c([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526488314 HXOKTDAPDZHKQQ-JOCHJYFZSA-N 448.500 4.703 30 10 IJEE CC(=O)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)cc1 526657200 KFIGUCODVKCJKD-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 558990298 RQDFSGVYIBGHQH-NRFANRHFSA-N 427.593 4.767 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cccs1 559159598 DPQRNODERBJBLY-ZDUSSCGKSA-N 436.368 4.870 30 10 IJEE CCCCc1ccc([C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2cccs2)cc1 585693176 UCEJMXRDAQNLKL-QHCPKHFHSA-N 449.551 4.623 30 10 IJEE Cc1ccccc1OCCCC[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 586348410 LYXMBDDEWVFMNX-BEIWTESXSA-N 444.622 4.599 30 10 IJEE COc1ccc(OC)c(C=NN=CC2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)c1 606347731 VLSIGSFYNWXKFN-UDKYYPRMSA-N 431.536 4.572 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)Cc1ccc(Br)cc1 698379477 XPLDXAGPFNEPIV-OAQYLSRUSA-N 438.410 4.853 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c2c(c1)OCCO2 698830808 XRLMXKBYVIKBOO-HNNXBMFYSA-N 425.323 4.678 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cc3c(Br)cccc3[nH]2)cc1C#N 752199358 XSJKXOBLBACKNK-UHFFFAOYSA-N 427.258 4.623 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1=S 773257522 DTVJVQSSXPCGMO-NHCUHLMSSA-N 442.629 4.584 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1)c1ccc(F)cc1 794893404 HWYOMDVQDPAFOG-JOCHJYFZSA-N 448.519 4.669 30 10 IJEE CC/C(=N\OCc1ccc(Br)cc1F)c1ccc2c(c1)N(CC)C(=O)CO2 821223795 RJQYKSMFIYWIJM-HAVVHWLPSA-N 435.293 4.664 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C 919162908 WDGQWEGDMPJFMC-UHFFFAOYSA-N 448.544 4.528 30 10 IJEE O=C1c2ccccc2C(=O)N1N=Cc1ccccc1OCc1cccc(Br)c1 1084155565 WZFRZSHMORDKIM-UHFFFAOYSA-N 435.277 4.658 30 10 IJEE Cc1c(N=Cc2ccc(SCC(=O)Nc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 1084534720 ALACPAGXJUHWPM-UHFFFAOYSA-N 446.532 4.559 30 10 IJEE COc1ccccc1N1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 1124205971 ASDVSBJRGPHXRA-UHFFFAOYSA-N 429.545 4.680 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccccc2CN2CCCCC2)CCCN1C(=O)OC(C)(C)C 1124584386 OVEJFIUDRAUNKH-AREMUKBSSA-N 441.616 4.635 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2coc(/C=C\C(=O)OC(C)(C)C)c2)cc1 1125466767 ZJZKEUDGCWFIHW-SEYXRHQNSA-N 436.508 4.701 30 10 IJEE CCN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1125595161 BYGUVKMWLPEZOF-UHFFFAOYSA-N 443.340 4.805 30 10 IJEE CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cn1 1128824037 AWDLWQSSLSOSFM-UHFFFAOYSA-N 445.523 4.644 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cc(F)c(Br)c(Cl)c1 1128837818 ZXVRCSOUWZEXJQ-ZDUSSCGKSA-N 448.720 4.767 30 10 IJEE C#C[C@H](NC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C)c1ccc(F)cc1 1129602582 GKOZNKIAPMUBKV-FQEVSTJZSA-N 440.316 4.554 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 1130824715 SVSBVEPITPDTEJ-NRFANRHFSA-N 448.346 4.917 30 10 IJEE C#CCCCCCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1131006949 UWEOZLVMVPWFNF-FPOVZHCZSA-N 446.563 4.627 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCCc1cn(-c2ccccc2)nc1C 1178873651 WUOVXVANAFAORF-UHFFFAOYSA-N 438.369 4.678 30 10 IJEE COc1ccc(C[C@@H]2CCCN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)C2)cc1 1194533596 FIIRXENQMOTGBN-NRFANRHFSA-N 439.987 4.858 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1Br 1215269434 ADTOCLGQXKDWCP-SUMWQHHRSA-N 434.359 4.698 30 10 IJEE C=CCN(C(=O)Nc1cc(Br)cc(I)c1C)C(C)C 1219677397 BVTHXJKAUMVTEQ-UHFFFAOYSA-N 437.119 4.790 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 1225772900 PKIFCZXPFYJUDF-PKTZIBPZSA-N 427.976 4.720 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)OCC(C)C)CC1)c1ccc(C(F)(F)F)cc1 1230694347 SQIHIEQEBABMGU-LJQANCHMSA-N 441.494 4.833 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C/c1ccsc1C(F)(F)F 1264280979 NUIXCYHPHRSFIZ-VOTSOKGWSA-N 426.412 4.909 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2coc3ccc(C)cc23)c(C(=O)OCC)c1C 1264357224 IBJHOGKVGLXSNH-UHFFFAOYSA-N 441.505 4.812 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1 1264764602 MGNYSWZSKONBJK-NRFANRHFSA-N 428.504 4.615 30 10 IJEE Cc1nc(-c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cs1 1271404022 FGTUZHAKTQNUFK-HNNXBMFYSA-N 436.924 4.635 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1 1275431006 BRGDIAWFAFWRQN-PIPMEXSNSA-N 444.909 4.797 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1286317956 QTQDTBVUBUQKNR-IBGZPJMESA-N 429.971 4.606 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](COCC)C1 1286341031 AXRPLFYZFVPBLR-RBUKOAKNSA-N 430.980 4.738 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCC(F)(F)CC1 1286429167 DIKQUXAFQAPUBQ-UHFFFAOYSA-N 435.522 4.639 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)c1cccs1 1286463830 UNQHXPQZVJXBQG-UHFFFAOYSA-N 446.979 4.863 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCCCCC1 1286553799 RIBTVGDRVVHNJZ-CTNGQTDRSA-N 425.533 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)Oc1ccccc1C 1286580084 YCSHABWXDHVHMD-OAQYLSRUSA-N 444.583 4.695 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2nc(C)c(C)s2)CC1 1286647318 DHEGSHZZMWLJGC-UHFFFAOYSA-N 437.613 4.946 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC)[C@H](C)C1 1286666706 DJBQIBSWQDGIHD-RTBURBONSA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1cccc(C(F)(F)F)n1 1286750829 HWCLWIBURNUBAC-QGZVFWFLSA-N 449.502 4.846 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCc2cc3c(cc2C1)CCCC3)C(C)C 1286750873 IODZWBGHBIQBJR-SANMLTNESA-N 433.644 4.727 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1occc1C 1286763808 UVYMPGQEEBMMDM-UHFFFAOYSA-N 433.468 4.631 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(F)CCC2)C1 1286804994 NSWYMVAQOPTICF-QGZVFWFLSA-N 434.943 4.671 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1289072367 DQCNGRJZDBDXDD-WMZOPIPTSA-N 444.352 4.834 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1295026772 DMZXNJKUCBKUQF-SMNXXWJPSA-N 436.304 4.650 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NCCCc1ccccc1 1296317021 LXKVZZIXHHGDCR-QHCPKHFHSA-N 435.568 4.977 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC2(CCCCC2)C1 1300428804 ONFYYOQRDXBYER-WOJBJXKFSA-N 430.662 4.866 30 10 IJEE C#CCN(CCOC)c1nnc(CCCc2ccccc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1300675153 MMXCBVZMIHGVQA-SFTDATJTSA-N 448.533 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1300905048 JZEIDZJJONIPSW-QGZVFWFLSA-N 431.581 4.752 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)C)C1 1300963613 XHLHLIGNQLPKHQ-SFHVURJKSA-N 425.360 4.601 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(OC(C)(C)C)CC1 1301019067 DZVHRXQLECCCKO-UHFFFAOYSA-N 440.979 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](C)C1 1301141061 HZUUSEKNCCKJCP-GOSISDBHSA-N 428.577 4.570 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1csc(C)n1)C1CC1 1301313470 AJPTXGKLHMJVSD-OAHLLOKOSA-N 427.549 4.720 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1CC)C1CC1 1301314368 VABPHZXLACEIRI-FXAWDEMLSA-N 429.996 4.711 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1301333846 CCVGECVOKUCSRJ-WOJBJXKFSA-N 425.621 4.544 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(F)(F)F 1301410812 LZTAFICCISUWIS-UHFFFAOYSA-N 442.445 4.521 30 10 IJEE C=CC1(CC(=O)Nc2cc(Cl)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 1301499824 GEUWYARBNIPVNO-UHFFFAOYSA-N 447.732 4.993 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(SC)CCC2)C1 1301541673 BMHNNWVEVWILNT-INIZCTEOSA-N 436.984 4.805 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCO[C@@H](C)C1 1301620529 GYBQBVSFVIVEIG-INIZCTEOSA-N 439.050 4.758 30 10 IJEE CC1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccc(C(F)(F)F)n2)C1 1303957347 GFXPJAVVKFLJCJ-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl 1357291636 TZEAZZFKROXBQR-UHFFFAOYSA-N 434.849 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CC12CCOCC2 1358881551 IEHZHEIRRZKQIR-UNMCSNQZSA-N 436.600 4.645 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCc1csc(-c2ccccc2)n1 1358994412 MYIXVFVEHCYFHO-UHFFFAOYSA-N 431.609 4.696 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](c1ccco1)N1CCCC1 1359000889 GUKYJNOJPVTAIX-XZOQPEGZSA-N 431.584 4.710 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(F)(F)Br 1359003784 XLMXLXXUECBHPQ-UHFFFAOYSA-N 443.361 4.723 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC[C@H](OCC)C1CCCC1 1359005738 TWPUTJUXVBBZHY-QHCPKHFHSA-N 431.584 4.938 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1359067625 VTOOAFLFCBJGOG-AREMUKBSSA-N 445.567 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CC)CCC1 1359074437 DEOWPSFGSVPXBG-YDIMBITNSA-N 441.620 4.621 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359211808 PHGQDJJBBYMMPW-AVRDEDQJSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(C)cc1 1359245333 KYKYCYWVGCSNRZ-FQEVSTJZSA-N 425.577 4.523 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1N(C)CCCC1(C)C 1359258704 ZOEVFIFPTHEQRU-DHIUTWEWSA-N 437.632 4.833 30 10 IJEE C#CC[C@]1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1361026676 JHNIIIPOCFJLNC-UFHPHHKVSA-N 446.591 4.922 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 1434952101 GKSNFHZZXPFJRJ-XMMPIXPASA-N 426.560 4.949 30 10 IJEE C#C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1436651817 SMHKEIPWKLFLKW-IBGZPJMESA-N 443.341 4.578 30 10 IJEE CSc1ccc([C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)N(C)C)cc1 1450123009 DNOUNQWZIMHEFR-VWLOTQADSA-N 445.588 4.892 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1CCC(=O)OC(C)(C)C 1460275857 DAMRQYRFHUIEQD-OALUTQOASA-N 445.629 4.996 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1ccc(Cl)cc1 1466634258 PGINNZVLVDSBBA-QHCPKHFHSA-N 443.934 4.968 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)C1 1468743306 GHOYJAWBICBZSD-RBBKRZOGSA-N 448.369 4.813 30 10 IJEE C=CCCC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 1472919469 ORODYLOFXLGTPN-UHFFFAOYSA-N 440.590 4.962 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](C)CN1Cc1ccccc1 1476697626 CWRMTNUNBXWBCJ-VQTJNVASSA-N 441.535 4.872 30 10 IJEE C=CCC1(CNC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CCCC1 1477300078 ZONFMHAEUCGKOQ-IBGZPJMESA-N 437.506 4.805 30 10 IJEE C=CCCC1(CNC(=O)NCc2cc(Br)c(OC)c(OC)c2)CCCC1 1477736188 UVQMRVQSSAECLC-UHFFFAOYSA-N 425.367 4.792 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 1478273586 ZHBDJIKLLPOOBW-LEWJYISDSA-N 447.501 4.711 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](COC)C1 1507555241 KKFITRWKNJAKDE-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1507567800 SLJQDFLHIRWJGL-UHFFFAOYSA-N 434.628 4.636 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[C@H]2CC)CC1 1507720310 JISUZYLVLZMDDX-FYYLOGMGSA-N 433.644 4.824 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)CC 1507794323 HKLHXBIBXUARAP-QFBILLFUSA-N 449.393 4.544 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1507858690 HOTALMJDRWCGKQ-HXUWFJFHSA-N 444.023 4.736 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCO[C@H](C)C1 1507957481 ZVZOMBBZFQXKLZ-OAHLLOKOSA-N 425.360 4.745 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCN1CCC(C)CC1 1508007775 GGUCDABODZDIEI-HSZRJFAPSA-N 441.595 4.583 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(OC(F)F)c1 1508011762 MRFFEIBDRXHUKB-UHFFFAOYSA-N 431.874 4.822 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H]1C)C(C)C 1508011949 XRGFYUFWMZPGRU-YZUZCNPQSA-N 432.616 4.750 30 10 IJEE COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 1516551029 CSUIZYSRETWODM-GAJHUEQPSA-N 430.529 4.990 30 10 IJEE C=CC[C@H](OC(=O)c1cc2c(=O)n3ccccc3nc2n1C)c1ccc(Cl)c(Cl)c1 1519082147 NWCFLXDMFMBDIW-SFHVURJKSA-N 442.302 4.967 30 10 IJEE C#Cc1cccc(N(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)C(C)C)c1 1520607064 XYJXLEOFQWCICQ-GOSISDBHSA-N 439.353 4.533 30 10 IJEE C#CCOc1ccc(NC(=O)c2cnc(-c3cc(Br)ccc3OC)s2)cc1 1521562559 MVPZVKNKMXHSKL-UHFFFAOYSA-N 443.322 4.846 30 10 IJEE CC[C@@H]1[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C(=O)OC(C)(C)C 1524259621 BKESEGQKHRGSBV-RBUKOAKNSA-N 440.569 4.580 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 1526219604 HMLFPBOZDLSJQI-SDYXESRWSA-N 441.934 4.916 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2Cl)c1 1528035669 HIHNZCWPCYHEKW-LJQANCHMSA-N 445.906 4.782 30 10 IJEE C#C[C@@H](NC(=O)c1c(F)ccc(Br)c1F)c1ccc(Br)cc1 1528089342 ZDWHJKLOBIFZBD-CYBMUJFWSA-N 429.058 4.594 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C[C@H](c2ccccc2)C1 1528821336 BUGJRFOECBZIET-KFKAGJAMSA-N 427.342 4.788 30 10 IJEE C#C[C@@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)c1ccc(Br)cc1 1535483322 INLCYJAJSCCMQY-MRXNPFEDSA-N 446.142 4.726 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1)c1ccc(Cl)cc1F 1535505254 UMVIHEXWYKBTLJ-JBRSBNLGSA-N 447.941 4.580 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1536218824 VUCRFOGIYGKFLE-UHFFFAOYSA-N 426.398 4.639 30 10 IJEE C=CCN(C(=O)c1cnc(-c2ccccc2Cl)nc1)[C@@H](Cc1ccccc1)C(=O)OCC 1537317488 WAEANCGVRKSNBT-QFIPXVFZSA-N 449.938 4.600 30 10 IJEE CC(C)C[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)N1Cc2ccccc2C1=O 1538914231 CVZUIHVHQDNEPX-HSZRJFAPSA-N 440.503 4.755 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(Br)cc(I)c1C 1539485562 NFUOOBLJADGUMK-UHFFFAOYSA-N 436.131 4.790 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1539505129 VDSATFYULTVUTE-YLJYHZDGSA-N 438.000 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCCOC1CCCC1 1539538037 AOAFULSWEVRGHK-UQBPGWFLSA-N 440.563 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1539630280 DZDAULHCUVETHT-XXBNENTESA-N 439.560 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1csc(CC)n1 1539652405 RXENXTJXGANCCT-UHFFFAOYSA-N 433.585 4.805 30 10 IJEE C=CCN(C)c1nnc(CCCc2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1540084448 UBTSVISLPUBQTG-UHFFFAOYSA-N 430.600 4.509 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@@]1(C)CCCO1 1540121352 ROCVJHVJHWKYFF-XMMPIXPASA-N 438.597 4.701 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1ncc(C)s1 1540147994 YOJZZLJGPHXILE-SJLPKXTDSA-N 443.642 4.995 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC(C)CC1 1540179882 CICDTJHCNONQIA-QFIPXVFZSA-N 432.616 4.629 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCc1cccs1 1540854947 PFCNARHGKQSDNA-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CC=CCC1 1540881402 IGIOYUZPCXLDQI-JOCHJYFZSA-N 446.599 4.545 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1540910200 AFXGBTPRWMHANT-DYESRHJHSA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540910289 DSRNRJIAODQYBO-HXUWFJFHSA-N 426.586 4.862 30 10 IJEE C=CC1(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 1543948965 KWEILHAMNXNKRT-HSZRJFAPSA-N 432.564 4.974 30 10 IJEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)=C(Br)C1)OC 1546908462 HJXYDGDPCVHHSP-SFHVURJKSA-N 444.377 4.511 30 10 IJEE COC(=O)[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)C[C@H]1c1ccc(Cl)cc1 1559223551 FLZOSGLNKGLUDI-ZWKOTPCHSA-N 426.303 4.806 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)Cc1ncc(Br)cc1Br 1560645858 HNQWHLBHKFFHQX-UHFFFAOYSA-N 426.152 4.803 30 10 IJEE CC1(C)CC[C@@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c2ccccc21 1564361171 HEAOKLZJBCGDMB-MWXLCCTBSA-N 432.568 4.798 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cc1OC 1568455603 UOUJESUEWZUDBT-UVTDQMKNSA-N 429.476 4.559 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cn(-c2ccc(Br)cc2)nc1C 1583067273 KRACZASHVHMCOW-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)O[C@H](C)C2 1586043322 BZMDGSOTKHTBHY-PUECVXPYSA-N 446.425 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)c1ncc(C)s1 1587678522 TZWNIIBVOSCBIZ-HOTGVXAUSA-N 441.626 4.606 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1587884333 VHIYDTIAOOCOAX-PKTZIBPZSA-N 436.600 4.850 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCC[C@H](C)C1 1588983810 CEMBTZCNPZDKLU-FHWLQOOXSA-N 430.593 4.939 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1589317051 JQQDQOJSMCXVIK-AWEZNQCLSA-N 427.293 4.627 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2ccccc2C)nnc1[C@]1(OC(C)C)CCOC1 1593932578 KRSQNCRDUHSION-REWPJTCUSA-N 430.980 4.721 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1594071090 ZGFFJZOKAIHMNC-CVDCTZTESA-N 442.604 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1594077778 UFEOMUSDPXYJRJ-RTBURBONSA-N 444.023 4.643 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1594229812 UUDYEUGHSKPLFH-JOCHJYFZSA-N 444.627 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@](C)(C#N)C1 1594484342 QMURFTXBXWLUQY-RUZDIDTESA-N 429.572 4.863 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC(C)(C)CN1CCCC1 1595127630 WQESYLJODJIBJT-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1CC1=CCCCC1 1595142613 SFNWHQFJXIMETP-GMAHTHKFSA-N 440.563 4.834 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)c1C#N 1595897484 FVEZWXPBJSKJBM-ZDUSSCGKSA-N 425.583 4.777 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCc3cccc(F)c3)C3CCCC3)n[nH]2)c1C 1596092891 HOCLXCDRGODSQI-UHFFFAOYSA-N 435.547 4.843 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(F)(F)F)ccn1 1617454726 DGIKOAXMHHXJHC-UHFFFAOYSA-N 446.502 4.761 30 10 IJEE COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 1623075292 GASQZINWKHAPJP-GYCJOSAFSA-N 447.491 4.611 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N 1623085382 AEYHXVRMSZXZBE-ZIFCJYIRSA-N 425.554 4.623 30 10 IJEE C=CCC(C)(C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1625084850 YELAABLACMWRDU-XNTDXEJSSA-N 427.353 4.748 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 1626487853 YHSZRGYGSGXVON-UHFFFAOYSA-N 430.526 4.516 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc(Cl)cc1F 1628434505 RJTIWERCXXAOKE-HSZRJFAPSA-N 448.929 4.611 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C=CCC1 1628774116 QTAPIRZRSHQRGZ-HXOBKFHXSA-N 436.939 4.871 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(Br)c(F)ccc3[nH]2)cc(OC)c1OC 1631479196 CDCNUYCNFBPNLI-UHFFFAOYSA-N 447.304 4.745 30 10 IJEE C=CC1(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CN(C(=O)OC(C)(C)C)C1 1631617220 CWDAYYDKQMSPRJ-UHFFFAOYSA-N 429.948 4.519 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(C)(c2cccc(Br)c2)CC1 1631792884 WZJSJSYXIOFQBL-UHFFFAOYSA-N 441.369 4.724 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1636562922 PWJIFVCIAFPHJI-LJQANCHMSA-N 443.341 4.578 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)C1 1641029783 LHJQDTAUMGRGBB-RDTXWAMCSA-N 429.413 4.660 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cc(Cl)c1O)c1ccc(Br)cc1 1641608310 QGVZLYOTOIFBSR-AWEZNQCLSA-N 443.522 4.675 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccccc1 1643353174 DWVKAYJAUUZYPZ-GOSISDBHSA-N 428.920 4.821 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC1(c2cccc(Cl)c2)CCOCC1 1648927497 XTDKAZFDAHQUHB-UHFFFAOYSA-N 448.788 4.953 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(Cl)ccc2n1CC 1650915422 WQRFLOUWNQRALG-CQSZACIVSA-N 427.332 4.684 30 10 IJEE CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1cccc(Br)c1C#N 1654388346 ADXSIZNZIOEDTD-UHFFFAOYSA-N 427.323 4.813 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c1C 1654827795 DFUXDTUKYUESBW-RUZDIDTESA-N 432.612 4.535 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nc2sc3c(c2c1=O)CCCC3 1656067265 PZYIHGQPQUGHBP-OAHLLOKOSA-N 445.654 4.700 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(CCCc3ccccc3Br)CC2)c1 1657763424 GJNYHWYMELTPRH-UHFFFAOYSA-N 426.358 4.604 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C(=O)NCCc1ccccc1 1658586978 FUBMGHCUMJIIIB-IBGZPJMESA-N 442.519 4.528 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(NC(C)=O)ccc1C)c1ccc(C(F)(F)F)cc1 1662981133 UCLHPNVRRXLSFO-LJQANCHMSA-N 440.487 4.958 30 10 IJEE Cc1cccc(S(=O)(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1C#N 1663101495 AYFYVSFKUMSYRX-SFHVURJKSA-N 428.863 4.969 30 10 IJEE COc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 1664158399 GVUMXXLIKJSBPH-PXNSSMCTSA-N 442.560 4.600 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](O)c3ccc(Cl)c(Cl)c3)cc2)nc1 1666477317 BVBGAMOHMADAFW-IBGZPJMESA-N 443.290 4.907 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)c1 1673058293 BFGWLGNBBITUEN-QFIPXVFZSA-N 435.524 4.645 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 1673641982 DYRDENVHHZGQAY-PKOBYXMFSA-N 426.923 4.519 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)[C@H]1CCCc2ccccc21 1674413260 UDZFTLYNIIZYGT-FCHUYYIVSA-N 437.584 4.641 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c(Cl)c1 1675169504 QAARBMKIFMZZCA-NRFANRHFSA-N 439.943 4.977 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1 1676995942 ICEGKAVRPKDOJK-UHFFFAOYSA-N 442.519 4.650 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc(OC)c1OC 1677966659 JKXWOPDPYKTSRE-IBGZPJMESA-N 443.975 4.554 30 10 IJEE CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCc1cccc(O[C@H](C#N)CC)c1 1679280725 BQABQWSTBDDSDX-PMACEKPBSA-N 444.373 4.951 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1)c1ccc(Cl)cc1F 1680396615 IYLMQEAQBANFSP-RXVVDRJESA-N 430.907 4.519 30 10 IJEE C=CCC[C@H](CO)NC(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1680794819 PGPXZJCNSPWXSU-QUCCMNQESA-N 440.437 4.591 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1c2ccccc2CC12CCOCC2)c1ccc(Br)cc1 1686645449 JQGCVSXZEOQPAD-SFTDATJTSA-N 439.353 4.517 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CC 1690037173 OVHNSEDZPFTHLC-QFIPXVFZSA-N 449.668 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCCN(C)c1ccccc1 1690208920 CKWKQAFCJCIJEL-RUZDIDTESA-N 433.625 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC)C1 1690249606 ZUBWJOIPADWBAX-LSWJPFSZSA-N 445.007 4.509 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1690298470 YZQTZMLQPXBELV-TZIWHRDSSA-N 439.560 4.850 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCCOC(F)(F)F)CC1 1690384544 WGCOQYIFMJIHAF-UHFFFAOYSA-N 442.507 4.662 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1690412258 JZHFBQCSVGBHBC-HXUWFJFHSA-N 443.636 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1690430307 IAALCDWJQWWHHN-IBGZPJMESA-N 432.515 4.937 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690449572 KVCJWGLVXMSJKO-TZIWHRDSSA-N 426.609 4.759 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690475322 NDKBGLQRPXXCOF-LJQANCHMSA-N 436.629 4.813 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690523887 RVLAKEPRYCXGCO-QGZVFWFLSA-N 438.576 4.552 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@H](C)C1)C1CC1 1690554258 ZIMHVYMEFMJKAO-GGPKGHCWSA-N 429.609 4.941 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C2CC(C(C)(C)C)C2)C1 1690688236 QZYYDZGNIAMZAJ-SOAGJPPSSA-N 440.588 4.741 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccco1 1690750339 HALPAKQEQPNBDS-SFHVURJKSA-N 428.533 4.850 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1694080147 CMGZZYCPRJCEAD-AFMDSPMNSA-N 445.615 4.832 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CC1(SC)CCC1 1697280926 FAGIGWYNIZMLDQ-UHFFFAOYSA-N 431.993 4.633 30 10 IJEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCCC(F)(F)C1 1697581848 CSDOPINZFNUOPR-JTSKRJEESA-N 447.505 4.535 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC(C)(C)c1cccs1 1705601426 IPPORCQMIYHTRO-UHFFFAOYSA-N 432.593 4.668 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)Cc1cccs1 1705623038 DTWGTYJVAAVMLK-GOSISDBHSA-N 434.565 4.718 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccsc1 1705660994 NUSAAUFJFYMYBL-HXUWFJFHSA-N 444.576 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705701312 ANRYKMVCRFZPEV-XLIONFOSSA-N 445.489 4.910 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccccc2CO)CC1 1705748975 GXZCDKCMPKHHEY-UHFFFAOYSA-N 444.366 4.622 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](CC)OC)CC1 1705772536 PYHDOVXRZRWGPZ-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1705943443 AZYOXUCSXNURRQ-GOSISDBHSA-N 438.519 4.671 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)O[C@H](C)C1 1705949325 WAXBRGWKWZOJTC-WOJBJXKFSA-N 444.645 4.822 30 10 IJEE Cc1ncsc1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N 1707002000 IENNBEUKJOTQCH-GFCCVEGCSA-N 435.384 4.855 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1722494347 LZBUFMSLJWPAHX-ILZDJORESA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1CCN(C2CC2)CC1 1722500793 LBNJALDQBRONSY-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1722511972 SILNQAUMNOJNKX-DHLKQENFSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nc(C)c(C)s1 1722517184 MJQDPSIXYCSENU-UYAOXDASSA-N 431.650 4.915 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722518763 LNJBDOBNCCMBIR-INIZCTEOSA-N 431.968 4.620 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(Cl)s1 1722518947 WVBDBFYWAZLGRI-UHFFFAOYSA-N 440.798 4.974 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CC[S@](=O)C(C)(C)C 1722658764 LBOFUGPOJFCUMN-PMERELPUSA-N 428.646 4.751 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](OC)C(C)(C)C 1722678569 SVOIMFFQVHTHMW-NRFANRHFSA-N 428.621 4.943 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)Sc1ccccc1 1726956521 KGMJKVJLYIUMLZ-DLBZAZTESA-N 448.596 4.507 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(C)ccc1F 1740747104 YPOWZMFQRSRIBC-UHFFFAOYSA-N 435.366 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740845002 AMOKWGGGYVGFIB-PKOBYXMFSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2Cc2cccs2)nnc1[C@@]1(OCC)CCOC1 1740852239 KUWCXOLMRNYQKI-YADARESESA-N 444.645 4.806 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1740862339 PXSWXKVXBKKNDV-UHFFFAOYSA-N 430.600 4.635 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@H](C)CC(C)(C)C2)cc1 1740967867 SQLPAFSYWOLSOK-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccccc2C(C)C)C1 1740980613 QOIGSIOPETZZBR-NZQKXSOJSA-N 440.588 4.503 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)C1 1741489754 APFZJKFWVFFIKE-GGAORHGYSA-N 434.632 4.810 30 10 IJEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1748735550 QUCZERHAJSQHGB-INIZCTEOSA-N 438.557 4.791 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCO[C@H]1C1CC1 1748834323 JHNNGYWRKFDKAJ-NZQKXSOJSA-N 443.378 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1OCCC1(C)C 1748900801 MEWINRMIXMPJNE-DEOSSOPVSA-N 448.611 4.567 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H](C)Cc1cccs1 1748956704 YCCRQVPIDLYNAW-QGZVFWFLSA-N 428.989 4.625 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1749027619 PSLPNDPYHIZZDV-AWEZNQCLSA-N 439.412 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(F)(F)F)cc1C 1749067357 RCSYFISOISRHLC-SIKLNZKXSA-N 432.490 4.887 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)=C(C)C1 1749135511 FMFSHCNGVQWWBD-WMZHIEFXSA-N 426.536 4.524 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ncc(C)s2)CC1 1749258189 PIUDVMJLBVIZKA-UHFFFAOYSA-N 435.384 4.895 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1749298783 SSJLWBIMLQWMPD-QFIPXVFZSA-N 440.588 4.716 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1749354293 MTZPTFYFRUNLJR-MSOLQXFVSA-N 444.551 4.549 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2sccc2C1 1749460919 JKBTVFPAGDBGQQ-UHFFFAOYSA-N 438.597 4.691 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1CC1C[C@H](C)O[C@@H](C)C1 1749529557 HOAALYLTYUEGPZ-PMACEKPBSA-N 426.605 4.881 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCN(C)C1CCCCC1 1749539306 YFXHQLXOSSGIBR-XMMPIXPASA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H](OC)c1ccccc1 1749554390 SAEVOGXEFZLXFD-RBBKRZOGSA-N 438.597 4.814 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2cc(F)cc(C)c2C1)C(C)C 1749557329 HNTPIAYTELNKRW-HSZRJFAPSA-N 425.596 4.549 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1=CCCCC1 1760102295 HUSIYUFAPKRQGY-HNNXBMFYSA-N 429.362 4.675 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H](OC)C(F)(F)F 1760228894 WFKJDEJXKXEFQX-KSSFIOAISA-N 440.535 4.558 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC12CCC(CC1)C2 1760242600 JBKAQTUMIFBBOP-JNDNBTNTSA-N 442.991 4.738 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(C)C)C1 1760278408 UBEIJODHZQGXPR-QGZVFWFLSA-N 447.446 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CCOC 1760340196 OEFJBOQUUMYSRK-IBGZPJMESA-N 449.640 4.815 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(OCCC)nc2)CC1 1760405533 WERMXYRABUJXBL-UHFFFAOYSA-N 447.583 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCCCC2)CC1 1760410417 DGLDCKDKWPDTHP-UHFFFAOYSA-N 436.648 4.953 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)S[C@@H](C)C1 1760412898 UEAAYRKTUXYAJW-ZWOKBUDYSA-N 428.602 4.723 30 10 IJEE C=CCCCCn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760430834 VQAWXKNJJRJUJO-KBMIEXCESA-N 442.579 4.938 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCN1CCCCCC1 1760485512 GMMOQOWUNCLGMA-UHFFFAOYSA-N 425.602 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(Br)c1 1760491380 FJQKUTLCYMMHPX-UHFFFAOYSA-N 443.345 4.844 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1(C(C)C)CC1 1760502402 XTHZLVTZKPZPIM-UHFFFAOYSA-N 439.423 4.844 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCC(C)(F)F 1763744352 AXNUGTQRXFCNBZ-HNNXBMFYSA-N 436.938 4.689 30 10 IJEE C=CCN(CC=C)c1nc(-c2ccnc(N(CC)CCC(=O)OCC)c2)cc2cnccc12 1857841232 VUNKWSOAQQWWHM-UHFFFAOYSA-N 445.567 4.650 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12 1858245371 WPXSECWIBYPVHC-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862446957 FCCWRMCSMPLHAX-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(Cl)c2)c1 1862491418 SHCKMIAMUWDJQF-RXVVDRJESA-N 425.912 4.714 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862589517 MOZMYZIRXFPOKC-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccs2)cc1 1862626113 VFLPQFXDUILUFM-OAQYLSRUSA-N 433.485 4.564 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862660565 JVYNFSIILZWJQS-OAQYLSRUSA-N 426.944 4.603 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862675157 CSOVQKUTLSOBNF-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862676342 HHVKEKKOSRNHKG-CFCCAZDESA-N 438.455 4.891 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 1862699313 SADKYISBULYRLH-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(F)c2)c1 1862703890 ZSYJCIHIRBDANN-HSZRJFAPSA-N 431.463 4.655 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862737557 XNHXBBARQFHETP-OAQYLSRUSA-N 448.500 4.786 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862748453 BOVPSLYHJFLLSN-QHCPKHFHSA-N 442.471 4.936 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879154 KBHNKGSMKZUZGM-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CSc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862926060 TTXOIWHQNGJPOO-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863306204 VMCRXGRZBGNFPT-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(OCCC)cc2)C1=O 1863685614 QCKQKVFVGYHEAV-QFIPXVFZSA-N 442.600 4.684 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C 1868658702 VOUXCLZVWCNXEJ-NRFANRHFSA-N 437.584 4.585 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C 1868699810 LPUFJXIAFKJRDY-JWQCQUIFSA-N 436.571 4.884 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 1870137453 OAGNJNVIQKLYPE-UHFFFAOYSA-N 443.338 4.853 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)/C=C/c1ccc(F)cc1 1870141572 YSDSHDVGOUFZMT-OVCLIPMQSA-N 425.423 4.722 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc(OC)cc2)cc1=O 1870837693 SUHNUUPBODKBNI-UHFFFAOYSA-N 429.605 4.770 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870838817 VWKVRBDSISVSFT-UHFFFAOYSA-N 426.479 4.821 30 10 IJEE Cc1c(OC(=O)c2cc3ccccc3oc2=O)ccc2c1O/C(=C\c1cccs1)C2=O 1871379579 VAUAYJCNWPDBPW-NDENLUEZSA-N 430.437 4.998 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871454375 MKJHZKWMPMADCI-MYKKPKGFSA-N 443.455 4.666 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871984462 NQPJTYFODFYFAG-NRFANRHFSA-N 428.598 4.823 30 10 IJEE CCn1c(C2=C(N)N(c3ccccc3Sc3ccccc3)CC2=O)nc2ccccc21 1872731161 RYOJBLLMBOKCOQ-UHFFFAOYSA-N 426.545 4.924 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872770185 MRYJEOGBKIGZDG-DZFGPLHGSA-N 429.545 4.905 30 10 IJEE Cc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873295498 LSQDJDGSNCEKDX-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE Cc1cccc(CN=c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(C#N)c3)[nH]2)c1 1873477171 HYFFDAYMFNEFCI-UHFFFAOYSA-N 431.503 4.773 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)cc1 1874306696 LGSYYPBUXPKNNY-JVWAILMASA-N 447.539 4.781 30 10 IJEE OCCCSc1nnc(Cc2ccccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874378552 KWHAUMIHURODQC-FSJBWODESA-N 439.343 4.672 30 10 IJEE COC(=O)c1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccccc2)o1 1874395403 LSOODDVSCVYCIF-STPJHCLOSA-N 446.532 4.984 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccco2)c1 1874420537 QRMNHYZDFFFTJM-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cccc(C)c1 1874443689 IITAFXKURAZEBY-JAMLUQCHSA-N 449.580 4.613 30 10 IJEE CCCSc1nnc(CCOC)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874473046 KKNGZSZPMBNPJH-XIEYBQDHSA-N 437.613 4.878 30 10 IJEE CCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874511322 TVXTVSBMWXZZJM-WPWMEQJKSA-N 449.624 4.819 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCC(=O)N(CCC)CCC)cc1 1874527670 ZZNYYBZRBUMEQI-JJIBRWJFSA-N 445.633 4.642 30 10 IJEE COC(=O)c1ccc(COc2c(OC)cc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)o1 1874625019 IICWZJSPNPKZMJ-ONNFQVAWSA-N 440.423 4.698 30 10 IJEE COCCC(=O)Oc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC 1874711529 BLRSJTVNQAGAJB-GQCTYLIASA-N 439.291 4.849 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c1 1875146894 LGIWWLDCKZWETQ-WEVVVXLNSA-N 446.455 4.590 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OC(C)=O 1875174471 SEYRNRHEFVOCMI-CMDGGOBGSA-N 430.884 4.916 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Br)cc3C)ccc21 1890532373 UBXYQXCRWPRPEO-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CN(CC1CCN(C(=O)c2ccccc2COc2ccccc2)CC1)c1ncccc1C#N 1890645561 UTPXTAAMQIAURJ-UHFFFAOYSA-N 440.547 4.521 30 10 IJEE COc1ccc2c(Cl)c(C(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)sc2c1 1891362395 IBSZHICILGMDON-HNNXBMFYSA-N 441.940 4.761 30 10 IJEE N#Cc1c(Br)cccc1N[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2043996916 DUYWJKNIGUQGHM-HXUWFJFHSA-N 440.341 4.924 30 10 IJEE O=C(O)c1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079144283 YRMNBSNGKCVYQH-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CC(C)(C)OC(=O)c1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1[N+](=O)[O-] 2079196832 LAYHMKDQITUSMJ-UHFFFAOYSA-N 443.275 4.913 30 10 IJEE Cc1c(C(F)(F)F)nn(-c2ccc(F)cc2C(F)(F)F)c1I 2079826510 SVXZXZRQJZWYPP-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CN(C(=O)c1cscc1OCc1ccccc1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2100088371 ALOWHEGFWWTSRS-UHFFFAOYSA-N 449.381 4.903 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H](CNc2cc(Br)cc(F)c2C#N)C1 2107449081 CZPWFAZAZFHJFZ-CYBMUJFWSA-N 426.330 4.909 30 10 IJEE Cc1cc(F)c([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c(Br)c1 2116785812 BRELTABDCVBZPX-CJNGLKHVSA-N 427.314 4.877 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 2145544583 QSSYFGMOCJVROL-ZWKOTPCHSA-N 441.385 4.806 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 2159127337 FTCPBZXHQNJXTI-SJORKVTESA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2ccc(C#N)c(Br)c2F)CC1 2163259454 HXNHTBLTWCJMKZ-CQSZACIVSA-N 444.320 4.857 30 10 IJEE Cc1sc(Br)c(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)c1C 2163712841 FMAJAPWJPCRXCC-UHFFFAOYSA-N 440.212 4.921 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@]1(C(=O)Nc1ccc(C#N)cc1Br)CC2 2181098426 MZAGUPRYQJJTHO-XOBRGWDASA-N 434.334 4.581 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181104188 WTZRVBJYZKPJGI-OAHLLOKOSA-N 436.350 4.542 30 10 IJEE C[C@@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181142520 XFSNTYZSRSQMDW-XCLFUZPHSA-N 436.350 4.733 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CC#N 2210488794 ZRAMBYFVWVVRFF-CEYNDMKZSA-N 445.563 4.844 30 10 IJEE CP(C)(=O)C#C[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218397264 LGGGSHAINNIRRH-BVAGGSTKSA-N 449.487 4.789 30 10 IJEE C=C([C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229112764 CVRQGKATRKLDPM-ZWKOTPCHSA-N 441.486 4.907 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 2235734327 WMSRSOAXVTWBRG-MOPGFXCFSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2235745497 CVZNXCFZACMFCF-PGRDOPGGSA-N 433.390 4.616 30 10 IJEE CCc1ccc(C#C[C@@H](O)c2ccc(I)c(Br)c2)cc1 2239676979 PYXNUIPBAPIDKQ-QGZVFWFLSA-N 441.106 4.701 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCC2 2261833687 CEWQCCZIAJXSJO-RUZDIDTESA-N 445.556 4.553 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267179472 QMXLDTKKDXSENT-MRXNPFEDSA-N 442.365 4.790 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 2296136156 RSYLTSMMKYXRIT-IBGZPJMESA-N 434.448 4.963 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 2296216630 MIIZMCKHMAMOQE-PMACEKPBSA-N 429.358 4.655 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1(CNC(=O)OC(C)(C)C)CCCC1 2296219457 OKQVEJULOCBALW-LJQANCHMSA-N 435.406 4.864 30 10 IJEE C[C@@H]1CC[C@](O)(C(=O)C#Cc2ccc(Br)cc2)[C@H](OCc2ccccc2)C1 2296222264 QEOBVIFUTYRKEP-ZQMYSKGWSA-N 427.338 4.506 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(C)(F)F 2296222414 RNBCKLPDGYSXNS-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@H](N)C#Cc2cccc(Br)c2)C1 2296279802 SMYNQCMKZHWCJQ-MISYRCLQSA-N 435.406 4.992 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]12CC[C@@H]1CCN2C(=O)OC(C)(C)C 2296300357 HAHMYMZKENSUGH-SFGWALBWSA-N 433.390 4.568 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CCN(c3oc(C=Cc4ccccc4)nc3C#N)CC2)cc1 2296746707 OPNYVDHCJKZIOT-UHFFFAOYSA-N 440.547 4.977 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@H]21 2306521328 JZQIARSYIRAITP-TYBLODHISA-N 428.573 4.698 30 10 IJEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)C1CC(OCc2ccccc2)C1 2315768871 DJUVGZFQYWTTLC-UHFFFAOYSA-N 425.378 4.551 30 10 IJEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 2318584774 PLBSATIYTZKSJG-FPOVZHCZSA-N 447.362 4.525 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1c[nH]c2ccccc12 2320923262 MTCCTJDIFGSANZ-UHFFFAOYSA-N 432.553 4.552 30 10 IJEE COc1ccc(Cc2nnc(S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1OC 2322193196 WJRODLGVZDZYCV-UHFFFAOYSA-N 446.532 4.849 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)OCO2)NCc1ccccc1 2322698904 XSOJSGPUZZQLAG-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccco2)c(OCC)c1 2322910860 ZVYRXSJFKRXSJM-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1OC 2323097811 DHWSQNLNTKKSCZ-UHFFFAOYSA-N 445.471 4.562 30 10 IJEE CCCOC(=O)COc1c(OC)ccc(C=CC(=O)c2ccc(C)cc2)c1Br 2323153449 RLFNKGAAIYFWLR-UHFFFAOYSA-N 447.325 4.994 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325731606 NTGLDNJQJVUEKT-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)O)cc1 2326589260 DCRNCKHKBWVALC-UHFFFAOYSA-N 430.533 4.909 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccccc1C(F)(F)F 2326752410 FAZCUBAVJZWJPN-UHFFFAOYSA-N 448.470 4.820 30 10 IJEE Cc1ccc(C=CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C#N)cc2)cc1 2328669470 CJHOQSKPCXRUJL-SANMLTNESA-N 448.526 4.727 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329672306 MPMBHHVUYCHGFW-UHFFFAOYSA-N 433.946 4.847 30 10 IJEE OCCCSc1nnc(Cc2ccccc2F)n1N=Cc1c(Cl)cccc1Cl 2329777533 KWHAUMIHURODQC-UHFFFAOYSA-N 439.343 4.672 30 10 IJEE COc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)c1OC 2331211213 OJVPXNGQNBHXND-UHFFFAOYSA-N 434.521 4.772 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccs2)c1C 2331490159 XOHBDFZBQZWNAO-UHFFFAOYSA-N 425.583 4.837 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc(OC)c1O 2331706854 KEQAAARHQIPLCM-UHFFFAOYSA-N 446.960 4.952 30 10 IJEE N#Cc1cccc(COc2cc(Br)cc(I)c2)c1F 2338712242 XEAJLZTVKILSAD-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339584591 CXGHLHJDDNNYDE-XUDAUXSOSA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597540 RKTXMJJLNJEZCS-MOPGFXCFSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](Nc1cc(Br)cc(F)c1C#N)[C@@H]2F 2358244160 LTMBOEWYBBYDKX-HSHDSVGOSA-N 442.304 4.750 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]12CC[C@H]1CCN2C(=O)OC(C)(C)C 2358672136 SSGRCAYSUWAMCG-JLMWRMLUSA-N 433.390 4.568 30 10 IJEE Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1sc(=S)c2c(c1C#N)CC[C@H](C)C2 2609891 UDNJBAXIKUCUEG-NSHDSACASA-N 429.523 4.708 30 10 IJEE O=C1[C@H](Cc2ccccc2)S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N1c1ccccc1 13303376 GOMFQOTWSUTRJN-BMGHZKRNSA-N 430.489 4.676 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2cccc(C)c2C)NC2Cc3ccccc3C2)n1 14159482 PCEGEEXBHISYMA-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3c(Cl)cccc3Cl)n[nH]2)o1 21081051 URHIOKSTVALGMC-AWQFTUOYSA-N 439.328 4.580 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nccn1-c1cccc(Cl)c1 25410883 BPOPEXJSAQOMJB-INIZCTEOSA-N 440.956 4.962 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2cc(OC)ccc2O)C1=O 36258209 YSZXBLNYMHOIHO-LICLKQGHSA-N 431.897 4.598 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)c(OC)c1 41285778 JBJFPZOHMDHJHU-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE COc1cc(/C=C2\S/C(=N/N=C\c3ccccc3)N(Cc3ccco3)C2=O)ccc1O 47137255 BQORNZCUTGTISD-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE CCN(C(=O)c1oc2c(c1C)/C(=N\NC(=N)N)CC(C)(C)C2)c1cccc2ccccc12 101109634 IACAARUKUSRWDF-VEILYXNESA-N 431.540 4.567 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1nnc(C)s1 101131350 YXPWCCUMGGSLEV-VVKTXGKCSA-N 441.494 4.639 30 10 IJEE O=C1ON=C(c2ccccc2)/C1=C1/SC(C(=O)c2ccccc2)=NN1c1ccccc1 106524573 XWDWAQQYAOCWQI-NMWGTECJSA-N 425.469 4.609 30 10 IJEE CCN1C(=S)N[C@@H](c2cccc(OC(=O)c3ccco3)c2)C(C(=O)c2ccccc2)=C1C 169932105 IBNVNTUOGRYNHC-QFIPXVFZSA-N 446.528 4.907 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(O)cc2)c1C 169961100 YIGPWWPVWYXVNY-XMMPIXPASA-N 441.483 4.727 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccn2)c1 169990662 KCJSNOCXTBEDGH-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c[nH]c3ccccc23)cc1C 170073195 UOWSMQYZGVUKOP-HSZRJFAPSA-N 432.520 4.788 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccco2)cc1Cl 170092042 KCSHEHUZHRFAAC-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1sccc1C 170107752 ZEJLDNQCLAZIQD-HXUWFJFHSA-N 443.565 4.767 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(O)cc1 170133274 LAUQCYBXAYRLNG-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccc(OCCC)cc2)C1=O 170142902 AUWZXKGBBFVGOC-UHFFFAOYSA-N 430.426 4.872 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143163 FNGBMKFYSCKNAY-VWNXMTODSA-N 449.547 4.787 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F 170248360 GASOSTNPJAUZTG-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)c1 170264341 WIQJQJUEAAMELB-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2C)cc1C 170273812 JRHGAEHKBZUCRN-HYBUGGRVSA-N 449.547 4.850 30 10 IJEE COc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)c1ccc(OC)c(OC)c1)C2=O 210089420 YQOLUFWFJPRLGD-FSJBWODESA-N 432.428 4.548 30 10 IJEE COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O 252623301 OOGAKGZGIBWSMY-UHFFFAOYSA-N 432.436 4.934 30 10 IJEE COc1ccc(/C=C2/SC(=Nc3ccc(Br)cc3)N(C)C2=O)c(OC)c1 252643531 ZVOIDVANGPUXAT-CZXUSHBOSA-N 433.327 4.700 30 10 IJEE O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCCSC1=Nc1ccccc1 254845752 ZAMJSCFKDLACGF-UHFFFAOYSA-N 441.512 4.754 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccc(O)cc2)N1c1ccc(O)cc1 254873634 BSBXDLADQZFYST-APOQOXIPSA-N 433.445 4.815 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 437034879 INFILSMUDCSPHV-ZVZYQTTQSA-N 427.957 4.593 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Br)c(C)c2F)c1C#N 448134588 LMFNQPGJPNAZGN-UHFFFAOYSA-N 445.317 4.928 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 460788559 CGMIVOUOSKPJCX-CYFREDJKSA-N 448.567 4.815 30 10 IJEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(c2cccc(OC)c2)CC1 460798432 WECAOWNQKXYPGU-UHFFFAOYSA-N 443.551 4.546 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cc(C#N)ccc1OC(C)C 463146865 OOMRVXNBBQKJEV-UHFFFAOYSA-N 431.521 4.766 30 10 IJEE Cc1csc(NC2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)n1 474817115 ZLNGKGJZCVQUKO-UHFFFAOYSA-N 432.549 4.619 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 483856600 SUIGPIHOXKFUJB-HSZRJFAPSA-N 429.476 4.662 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503040298 VINURDXBQWMLOC-RUZDIDTESA-N 433.508 4.646 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 508901858 HOWACMQHHDPHBF-MQGJPIDWSA-N 436.581 4.737 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 521715546 XTCMQUJALLGHDH-UHFFFAOYSA-N 433.493 4.734 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccnc2)cc1 526829316 BVOASHCUPMSBQF-XYGWBWBKSA-N 444.520 4.541 30 10 IJEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc(C(=O)OCC)o1 526829861 DEZGUPDTKODPHE-UCQKPKSFSA-N 442.541 4.574 30 10 IJEE N#C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(OC(F)(F)F)cc1 531115607 FXMFZPISIKVWSF-GOSISDBHSA-N 433.411 4.615 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(F)cc(F)c2F)nnc1-c1ccc(Cl)cc1 554074016 RUFNVIGHSOMNHU-UHFFFAOYSA-N 438.862 4.933 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C[C@H](c2ccsc2)O1 558909740 TXFQURYQOLWFRF-WZONZLPQSA-N 441.560 4.893 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@]2(C1)OCc1ccccc12 568773523 MIMPTKJRMRFUBC-DPPGTGKWSA-N 442.563 4.735 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)N(CCCN(C)C)Cc2cccc(C#N)c2)cc1 586181472 MWKONEIKIVHECO-UHFFFAOYSA-N 441.641 4.824 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1 586257515 GMNNXRKSGRKSJB-UHFFFAOYSA-N 430.888 4.755 30 10 IJEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 586657222 UYUROONDZUBWPC-UHFFFAOYSA-N 438.959 4.508 30 10 IJEE C=CCN(C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)c1nc(C(=O)OCC)cs1 609969248 YBBGPEUDVWANNF-CYBMUJFWSA-N 426.460 4.736 30 10 IJEE C[S@](=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 613780486 GWEIFQCZEFENCP-PMERELPUSA-N 449.479 4.614 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)cc(Br)c1 698371595 JABGLIKGTKEACT-AWEZNQCLSA-N 448.155 4.660 30 10 IJEE C[C@@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709339842 CXKYEDJSEAAMQU-SVQXRNPESA-N 448.568 4.994 30 10 IJEE N#C[C@H]1CN(C(=O)c2oc3ccccc3c2CSCc2ccccc2)CCN1C1CC1 732648664 GYWZNNYYOUWUGC-FQEVSTJZSA-N 431.561 4.679 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(CC)cc1 742214577 GMYLLXCCPVUPHS-NRFANRHFSA-N 437.540 4.762 30 10 IJEE Cc1ccc(-c2nc(N)sc2CC(=O)OCc2cc(Cl)ccc2OCC#N)cc1C 775832189 MYQIIXDWIVLXDS-UHFFFAOYSA-N 441.940 4.851 30 10 IJEE N#Cc1ccc(Cl)c(C(=O)OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 803832447 DCFGZURIHUHZHS-JOCHJYFZSA-N 430.891 4.543 30 10 IJEE COc1ccccc1NC(=O)CCSc1n[nH]c(NN=Cc2cccc3ccccc23)n1 1084572851 ZEWJETWLSNPYAA-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE C=CCN(CC=C)C(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1124820008 ZMYAJLXFMPAYQF-FQEVSTJZSA-N 430.548 4.848 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1125441930 DAPKYAIKGLOQSO-XMMPIXPASA-N 443.544 4.623 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 1131361179 FJZTVIAPAVQDBH-MRXNPFEDSA-N 442.972 4.757 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1131932883 JADYICILMWVXSY-QFIPXVFZSA-N 438.490 4.936 30 10 IJEE C#CCOc1cccc(NC(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)nc2O)c1 1146478536 UIUCGBFQWFRXBT-UHFFFAOYSA-N 427.504 4.982 30 10 IJEE C=CC[C@@H](C(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)c1ccccc1 1155923536 NQLKOSRGEISUSQ-UTKZUKDTSA-N 426.479 4.795 30 10 IJEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 1163025129 AXSPUJCPDLXGDC-CQSZACIVSA-N 426.330 4.686 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1C 1191380914 CUHYFQZFHGUXJW-UKILVPOCSA-N 432.612 4.535 30 10 IJEE C[C@H]1CCCN(Cc2ccc(Br)cc2C#N)[C@H]1CCNC(=O)OC(C)(C)C 1195776876 FZHMWLSPVWHERL-KXBFYZLASA-N 436.394 4.836 30 10 IJEE C=C(Cl)C[C@H](N[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OCC 1207129786 RUMFTSIRTUZEQZ-ABAIWWIYSA-N 441.277 4.740 30 10 IJEE C#CCOc1ccccc1OS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 1209439936 PJNVOHFAXFEOES-UHFFFAOYSA-N 436.110 4.536 30 10 IJEE C#CCN(C(=O)NCCOC1CCCCCC1)[C@H]1CCOc2ccc(Br)cc21 1227851735 BFRXDTUTVNTENB-FQEVSTJZSA-N 449.389 4.657 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1256405164 PWJDXDVPFYLSDL-HXUWFJFHSA-N 431.577 4.743 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)NCC3(c4ccc(Cl)cc4)CCCC3)C2)c(F)c1 1264780767 BDVCUICBUXUWRX-SFHVURJKSA-N 425.935 4.805 30 10 IJEE C#CCN(C(=O)c1ccc(-n2cccc2)cc1)[C@H]1CCOc2ccc(Br)cc21 1265210095 LUGPZYKCBLSSCN-NRFANRHFSA-N 435.321 4.839 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1286317153 CRSKKAIKDSDZHH-UHFFFAOYSA-N 444.627 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCc1sc(C)nc1C 1286524456 LSEDCFKLUDPJIA-HSZRJFAPSA-N 440.016 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(F)(F)F 1286552998 OXIBIQVPAIUSLX-VKJFTORMSA-N 442.457 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1286556294 BXHPOXOHFVXNOE-YYDVJCTNSA-N 445.007 4.769 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286585129 BDNOASNYDDOWNK-HBFSDRIKSA-N 448.995 4.505 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCCCCC2)CC1 1286665021 OXEMFGZCFKEAPM-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 1286679270 MWORYPMXPIXZLN-HNVPCBRESA-N 438.616 4.611 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1286708490 DVMPUUZWVFHYFX-OAQYLSRUSA-N 434.569 4.516 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C2CC2)ccc1F 1286717878 ODKVUZNNDKNSHU-UHFFFAOYSA-N 430.325 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1CC(F)(F)F 1286742229 HWKGXSUJCOGLDH-UHFFFAOYSA-N 432.837 4.620 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(N2CCCCCC2)nc1 1286749905 HMEDLTQNEOVDOZ-UHFFFAOYSA-N 436.629 4.918 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)s1 1286762903 PKPWHGOOSQPAMI-LJQANCHMSA-N 443.016 4.975 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCC2(C)C)C1 1286805133 RBRQGQZOVCKPSN-NVXWUHKLSA-N 448.409 4.643 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(CN2CCCCCC2)CC1 1286833153 WDPVPHKVAFHNKP-UHFFFAOYSA-N 431.694 4.947 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@@H]2CCCCO2)c1 1289334852 BZWNEPSDOVJGPJ-OFVILXPXSA-N 437.588 4.563 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)C1 1291101808 BUNDCLWMBKBWAM-GOSISDBHSA-N 442.558 4.563 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCSC(C)(C)C1 1300352790 PGUBHOGCGLGQFJ-UHFFFAOYSA-N 442.629 4.878 30 10 IJEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc(Cl)s1 1300530609 BLVYTASWBWGTEK-OAHLLOKOSA-N 429.977 4.573 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC)(CC)C1 1300733948 ORFYNJYCTSZOPA-SFHVURJKSA-N 430.593 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(CC)CCC 1300789563 PVFYWGKGGNVQHF-UQBPGWFLSA-N 439.673 4.855 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc2cnccc2c1 1300996932 KEDBHCKTVVMAIZ-UHFFFAOYSA-N 433.581 4.708 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301028878 CVEQLJWCSSGTLB-FQEVSTJZSA-N 448.995 4.745 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCc2nc(C)cs2)CC1 1301087561 LJZVGOWXARIIIJ-UHFFFAOYSA-N 425.577 4.952 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCOC)CC1 1301114316 NZTYGHXEYLFGCG-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)s1 1301173220 PZZNRNZBZIUSME-IBGZPJMESA-N 431.023 4.561 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1301199096 XCTZXVVRKRLUTD-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCOc1cc(C)cc(C)c1 1301362792 JYRRBRLYRJCNIP-HXUWFJFHSA-N 438.597 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCN1CCCC1 1301375936 UJHGLWILKNZIGM-UHFFFAOYSA-N 444.421 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccsc1Br 1301379535 NNXOOKZTUMHTQQ-UHFFFAOYSA-N 440.370 4.867 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(Cc2ccsc2)CC1 1301433174 MBRRZQDSQOAUAG-KRWDZBQOSA-N 444.004 4.641 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1301467736 IGBQNQFEDNAXGU-LJQANCHMSA-N 431.378 4.537 30 10 IJEE C=CCSCCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301620740 JRYCCYWYQTWJHW-DNQXCXABSA-N 446.661 4.565 30 10 IJEE C#CCC1(NC(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CCC1 1303936107 FLJMLAMWKPNEIW-HNNXBMFYSA-N 437.590 4.748 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 1310165630 IERAFEXZSVGPDU-WIOPSUGQSA-N 427.504 4.671 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1310407396 DPNFUZBZFCOFDB-UHFFFAOYSA-N 433.618 4.602 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)c1ccc(F)c(F)c1 1312180714 WJULHXSTYOBODD-VQIMIIECSA-N 425.520 4.821 30 10 IJEE C=CCCSCCNC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1312663680 FSWKNEVZWDUMKB-GOSISDBHSA-N 440.451 4.643 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1)c1ccccc1 1312938156 XKYHQMCNKYQPJQ-OAQYLSRUSA-N 427.342 4.514 30 10 IJEE C#C[C@@H](NC(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccc(Cl)cc1F 1312943825 SCJGHDOEVFBJDD-LJQANCHMSA-N 449.954 4.632 30 10 IJEE CC(C)(C(=O)Nc1ccc(OCC#N)cc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 1319902591 XGZHOOAHVZKGIS-XMMPIXPASA-N 430.504 4.866 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 1348998247 UABDPJXGPMCZAG-UHFFFAOYSA-N 445.466 4.921 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C2CC(c3ccc(F)cc3)C2)c(C(=O)OCC)c1C 1352793686 UHLJUACDQZWJDN-UHFFFAOYSA-N 445.512 4.847 30 10 IJEE C#CCCCCCC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1357494297 BJFZWAWHJOGIAY-OAQYLSRUSA-N 442.556 4.765 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2c(C)oc3ccccc23)c(C(=O)OCC)c1C 1357818060 TTZQYUJJDWHXGA-UHFFFAOYSA-N 441.505 4.812 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCC1CCOCC1 1358986363 VLXQCVUYOXPGBP-QHCPKHFHSA-N 448.611 4.705 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1359078584 IESHOKFGUZYSGA-WMLDXEAASA-N 432.322 4.531 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC(C)C 1359095712 QWIKLHBAHPPPQB-VQIMIIECSA-N 433.394 4.781 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccccc1 1359121525 SWHSPPITEOQNCQ-OAQYLSRUSA-N 439.604 4.995 30 10 IJEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1359143290 XNZPDIQYUXHAHI-IBGZPJMESA-N 432.996 4.621 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2ccc(Cl)s2)CC1 1359166751 GEMNFFOWLGJIBM-UHFFFAOYSA-N 428.989 4.992 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCO[C@@H](C)C1 1359197050 BMEOXLVCHOBORR-MZKRTTBSSA-N 440.588 4.788 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCC(F)(F)C1 1359258110 GOWJTXQMAJQMON-WOJBJXKFSA-N 443.542 4.637 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C 1359264909 SHSNBTCNKUNSPF-PWRODBHTSA-N 443.661 4.875 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CCc1cccc(C)n1 1359276468 DNNRVCKYSYIOGG-UHFFFAOYSA-N 448.958 4.768 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1cccc(C(F)(F)F)c1 1359277631 RHCGMDXLSKKWEB-SFHVURJKSA-N 446.473 4.677 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1359336117 FZYFXVGYLUFDOX-LJQANCHMSA-N 441.645 4.939 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC2CCCC2)CC1 1359344067 KOYZYFZUILRJNW-UHFFFAOYSA-N 444.620 4.855 30 10 IJEE Cc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)cc1 1361274196 GLKRWUSTSOYLOX-RUZDIDTESA-N 425.488 4.886 30 10 IJEE C=CC1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)CC1 1435155862 YWGXFWYVERTVTO-UHFFFAOYSA-N 448.592 4.768 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C(F)(F)F)cc1 1436240403 URMNDZRAHZVIRA-DLBZAZTESA-N 425.200 4.581 30 10 IJEE C=CC[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)OCC 1447549185 HYCCXZPZTYCACU-INIZCTEOSA-N 426.563 4.705 30 10 IJEE C[C@@H](NS(=O)(=O)c1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1)c1ccccc1 1457758763 DAJIBESKLBBJEV-QZTJIDSGSA-N 434.517 4.516 30 10 IJEE Cc1cc(N2CC[C@@H](Nc3nc(C(C)(C)C)ccc3C#N)C2=O)ccc1Br 1458307363 DWQKDCDDOYOVEP-QGZVFWFLSA-N 427.346 4.539 30 10 IJEE N#Cc1ccc(F)c(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)c1 1460785931 HSAPWEBGZYMFME-UHFFFAOYSA-N 439.288 4.777 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1F 1460790026 QKMWBXZHXRGFDR-PKTZIBPZSA-N 434.898 4.831 30 10 IJEE C=CC[C@H]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1461763433 AYQKTHAUCXLXLK-KRWDZBQOSA-N 427.342 4.669 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccc(Cl)cc1Br 1462942930 IDQKXMNPOGIVDU-UHFFFAOYSA-N 441.778 4.715 30 10 IJEE C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1463617227 ROFZYQKCHRJEHL-UHFFFAOYSA-N 432.545 4.969 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 1464914065 GGPXQBIZYNECHJ-UYAOXDASSA-N 426.561 4.784 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)cc1 1465850748 MENJEOHKNBZOBB-UHFFFAOYSA-N 439.519 4.880 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)CCO2)c1 1466629909 CXWJBKUGBLLVLD-KRWDZBQOSA-N 425.794 4.716 30 10 IJEE C#Cc1ccc(NC(=O)NCc2ccc(I)cc2Cl)c(Cl)c1 1467402965 NLVHXEFYSXMGLA-UHFFFAOYSA-N 445.087 4.901 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 1474930457 GOUBVGSOEGISDK-UHFFFAOYSA-N 437.389 4.759 30 10 IJEE COC[C@@H]1CCCN1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1476217292 GQXBFXOKPZIEAJ-KRWDZBQOSA-N 434.418 4.517 30 10 IJEE CC(=O)N1CC[C@H](NC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)c2ccccc21 1476832528 GMOHELLMQBAZNU-FQEVSTJZSA-N 441.491 4.673 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)cc1 1478685607 HUXHKQSKWJPVMX-NRFANRHFSA-N 441.369 4.768 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 1478896776 QGKDNNXPXYSYDI-ZEQRLZLVSA-N 434.923 4.626 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CCOCC1 1479007068 GOCQQPSSIHJPEI-FQEVSTJZSA-N 434.458 4.925 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1CCO[C@H](C)C1 1504097727 HOBSPAJBJCQDOH-SJORKVTESA-N 443.979 4.552 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC[C@H]3c3ccsc3)n2CC(F)(F)F)cc1 1505317748 BSSCTMCZSRPQJR-KRWDZBQOSA-N 433.459 4.694 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1507566681 KEAAKTVYRJYWTC-QFIPXVFZSA-N 435.616 4.538 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1507682534 QMVLNDUWIZGBNE-NRFANRHFSA-N 437.975 4.878 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCOCCC(C)C 1507766064 YGTOCNPFMSKXIE-NTKDMRAZSA-N 428.552 4.612 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1507828094 SGFUPRHVBPWUIH-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC(C)CC2)CC1 1507878079 IJLDIVVIBKNVGD-UHFFFAOYSA-N 429.012 4.662 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1507912006 CUQKBKZKNJGDEF-DENIHFKCSA-N 434.588 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1507915656 YYFWKKHUZUYYRG-IBGZPJMESA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507942518 RRIHVKKFJJVBAO-SFHVURJKSA-N 433.478 4.864 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H](C)C1 1507966230 NLQZWKYWADDLID-HZPDHXFCSA-N 439.387 4.849 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCO[C@H](C)C1 1508008207 LQIRLLQHBQUIDX-HSALFYBXSA-N 430.618 4.631 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1508124333 OUTIOQPGINSYAX-RDGPPVDQSA-N 442.526 4.670 30 10 IJEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1coc(-c2cccs2)n1 1509365119 AOPQAPRYHMZMGB-UHFFFAOYSA-N 448.552 4.586 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 1520490219 AJIWNIWYHWFDFC-XMMPIXPASA-N 425.532 4.906 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 1521577976 JTKPZSDKRYJDMP-UHFFFAOYSA-N 436.529 4.891 30 10 IJEE C#CCOc1ccc(COC(=O)[C@H]2CN(Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 1521612809 ZPJDEPJEPNLFPM-XRKRLSELSA-N 439.555 4.832 30 10 IJEE C#CCN(C(=O)c1cc(C)cc(OC)c1C)[C@@H]1CCOc2ccc(Br)cc21 1521819619 SUEBNRXLHUXCGF-LJQANCHMSA-N 428.326 4.674 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc(C(C)(C)C)nc1)c1ccc2c(c1)OCO2 1523443500 FYDFGOHCGNFKBM-UHFFFAOYSA-N 445.519 4.915 30 10 IJEE C[C@]1(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN(Cc2ccccc2)C1 1524774285 FPJHXBOIETWFNA-MUUNZHRXSA-N 439.559 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 1524836563 XAABYXRSCWNJFG-ZOGBDMNLSA-N 438.593 4.638 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cc1 1525586050 LHDNOFQZJVCIGU-UHFFFAOYSA-N 426.563 4.782 30 10 IJEE C=CCCC[C@@H](C(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1525740052 YNKZWOOVCZNQNJ-JOCHJYFZSA-N 444.616 4.906 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ncoc1CCC(F)(F)F 1529485872 QLSFMLJAHOEOHE-UHFFFAOYSA-N 435.215 4.900 30 10 IJEE C=CCN(C(=O)[C@@H]1CC[C@H]2C[C@H]2CC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531953339 UCIDXPNLRYCRJB-BCDXTJNWSA-N 430.595 4.559 30 10 IJEE C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1533188505 DTCBKQRGVBHGAT-ZBFHGGJFSA-N 442.346 4.970 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(I)c2C)cc1OC 1536816646 IWVSGFAWGZWGKG-PKNBQFBNSA-N 449.288 4.825 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccn2)c1 1538455519 JTADNWYTGYBGHY-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1539056049 QUONPSLJDPOLLG-UHFFFAOYSA-N 446.954 4.663 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCSC(CC)(CC)C1 1539112064 HIZZSWHITWYGQZ-UHFFFAOYSA-N 434.613 4.656 30 10 IJEE Cn1c(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)nc2cc(Cl)ccc21 1539206833 BSSSBCNPEKHVLB-UHFFFAOYSA-N 430.895 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC[C@H]1OC 1539305265 VDPOPEAKTZXTDR-NHCUHLMSSA-N 436.625 4.554 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1c(C)noc1C 1539403680 VXOBUFCGZGIARW-SFHVURJKSA-N 449.599 4.737 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1scnc1C 1539497946 PDDSAJCPMMIZPK-LJQANCHMSA-N 425.627 4.588 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1Cc1cccs1 1539585936 CTJNOJVGFDAAKV-INIZCTEOSA-N 430.375 4.522 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1cccc(C)c1 1539629993 COTFABIBNVEJCR-NFBKMPQASA-N 426.605 4.672 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1539882757 WLQMUJXTLLQWQJ-PXNSSMCTSA-N 430.980 4.825 30 10 IJEE C=CCCCCn1c(CCOc2ccccc2)nnc1N1CCc2ccc(Cl)nc2C1 1539972023 XXWBZBFOIMVCDV-UHFFFAOYSA-N 437.975 4.867 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1539975570 WOSPVYFIAZVMBG-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccc(Cl)s1)C1CC1 1540098688 HKLIOZJRUSCJGV-UHFFFAOYSA-N 429.933 4.966 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)cc1Cl 1543657335 HZGOWLPDKQRVFZ-UHFFFAOYSA-N 445.906 4.908 30 10 IJEE CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1544302098 DSGSLQXXQIAQCX-KBMIEXCESA-N 445.563 4.798 30 10 IJEE CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)n[nH]2)c1C 1544321934 CBSBAWANNYJSJN-ITSWEJNFSA-N 430.556 4.773 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)C1 1546104533 ACDIOESGOUFNGL-UHFFFAOYSA-N 432.597 4.998 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1554629832 ACLXXMUEOOXMFC-NIRIFSCTSA-N 439.604 4.836 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 1556468390 GRMUPMARWRVLAD-HXUWFJFHSA-N 429.358 4.660 30 10 IJEE C=CC1(CC(=O)Nc2cc(F)ccc2N2CCC(C)CC2)CN(C(=O)OC(C)(C)C)C1 1558634702 QDNGOPAIMUEWLW-UHFFFAOYSA-N 431.552 4.814 30 10 IJEE C#CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1560702477 UNQFGDFQZPEISY-KRWDZBQOSA-N 435.705 4.970 30 10 IJEE O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2c(F)cccc2C1 1561389315 DDRJPBLNHFYWEI-UHFFFAOYSA-N 427.341 4.610 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1)C(C)(C)C 1561617334 GCWRNSNBTSWFAP-GOSISDBHSA-N 440.334 4.707 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 1563702581 ACGZVRBBYFFCFT-FXAWDEMLSA-N 435.406 4.931 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1 1564734445 KSQNBAWUVKHNGA-VWLOTQADSA-N 445.604 4.724 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 1564913519 NDOZQHQCNJTAFA-JOCHJYFZSA-N 431.502 4.720 30 10 IJEE C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN1CCOCC1 1565535457 NEHOOTOVVLNUDJ-VBSYDLGNSA-N 429.601 4.996 30 10 IJEE COc1cc(CCC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)ccc1OCC(F)(F)F 1584094683 HGGHHFSYSADCAY-LJQANCHMSA-N 432.442 4.634 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCC1=CCCCC1 1588105287 SPJKEMCIPRGYIF-UHFFFAOYSA-N 429.387 4.732 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN(C(C)C)C1 1588265766 GUGLYXGQEMKDBA-UXHICEINSA-N 444.023 4.651 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2C[C@H]1CO2 1589347276 LXNCGPMSZXTRFP-STQMWFEESA-N 444.160 4.528 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1ncc(CC)s1 1589608077 BIEFLBISMFDSSX-UHFFFAOYSA-N 447.612 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CC(OCC)C1 1589614973 INSMUTLKAHEVNI-UHFFFAOYSA-N 439.387 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H](C)c1nc(C)cs1 1589687755 NLMPNRPPNXUVAV-INIZCTEOSA-N 429.565 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1594528633 LMCFBXMKINUTBL-RTWAWAEBSA-N 428.552 4.746 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1594544542 KVOGUYBSAURLAS-QHCPKHFHSA-N 444.627 4.929 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](CC)C1 1594572678 IJWLQSSCAYCWRU-LJQANCHMSA-N 444.649 4.529 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCCOC(C)C)C1CC1 1595026145 DJEMYDQEZOQUGH-UHFFFAOYSA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCN1CC)C1CC1 1595037651 IZEUQIJOUDFMFE-IBGZPJMESA-N 429.996 4.636 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCc2coc(-c3ccc(C)cc3)n2)C1 1595675063 XEVCMKDDVYUAHM-OAQYLSRUSA-N 435.572 4.563 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CC1CC1 1597203833 FBURDWACBOCVEJ-XZOQPEGZSA-N 446.599 4.788 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F 1598455354 KQXZWTWSTDCPBR-SMDDNHRTSA-N 436.858 4.640 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](CC)(C(=O)OC(C)(C)C)C1 1598466741 MGTLJNPWWOPPOB-KOSHJBKYSA-N 438.609 4.597 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2Cc2nc(C(F)(F)F)cs2)C1 1611767075 GSTMDALOGVXRMY-LJQANCHMSA-N 432.475 4.599 30 10 IJEE C=CCn1c(Sc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 1612165055 KYYMDHZBIGOPNS-WQLSENKSSA-N 436.493 4.685 30 10 IJEE C#CCN(CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)[C@@H]1CCCc2ccccc21 1620613321 CKSQZDVJYBOXCM-XMMPIXPASA-N 429.589 4.994 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC=C(c3cccc4ccccc34)C2)cc1C(F)(F)F 1622000986 FJDYDCACNZHWRK-UHFFFAOYSA-N 428.435 4.818 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1622047399 SSNPTEPKKRXTRE-HNNXBMFYSA-N 437.251 4.776 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(OC(F)(F)F)c2)cc1 1622964632 LBWIAJXXPCEJOX-UHFFFAOYSA-N 433.430 4.721 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O 1635395598 SKEGZYRRHJGIQV-FGTMMUONSA-N 426.985 4.553 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3CCCc3ccccc3)ccc2c1=O 1636951665 WGAYJUIDIZQSRJ-NRFANRHFSA-N 447.604 4.889 30 10 IJEE C#C[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1638644241 MZLBEODPWKTEPW-INIZCTEOSA-N 432.973 4.577 30 10 IJEE C#CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)[C@@H]1CCCc2ccccc21 1639322217 LSXFDJPVXUKALR-LJQANCHMSA-N 446.425 4.656 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1NCc1cc(Br)c2c(c1)OCCO2 1642153918 DGJKZNKTJQTMAC-UHFFFAOYSA-N 430.689 4.906 30 10 IJEE C=C(CC)C(=O)Nc1cc(Br)ccc1CN1CCN(Cc2ccccc2)CC1 1642390889 KRIJCTCFJRELRU-UHFFFAOYSA-N 442.401 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1cc(Br)ccc1C#N 1643244111 XJGRDCJKQOSAFP-RTBURBONSA-N 428.330 4.923 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 1644776827 RWTZNVJMMXUXHK-QQKQFIJSSA-N 437.653 4.638 30 10 IJEE C#C[C@@H](NC(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1)c1ccc(Cl)cc1F 1651011024 NGZTYIFMXBIFSI-LJQANCHMSA-N 427.932 4.684 30 10 IJEE C=CCn1c(SC[C@@H]2C[C@H]2C(=O)OCC)nc2scc(-c3ccc(C)cc3)c2c1=O 1651536609 SMSUEAQSIFICIP-DLBZAZTESA-N 440.590 4.911 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 1651573473 PBDQNRRSKNEIFP-JKSUJKDBSA-N 430.643 4.740 30 10 IJEE CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1653546485 HKVJOKNNENZBTB-QRVBRYPASA-N 442.673 4.658 30 10 IJEE Cc1ccc([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 1654328468 FDTUTAHCSGKTKP-PMACEKPBSA-N 433.371 4.586 30 10 IJEE C=CC[C@H](C)Sc1nc(C[C@@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1656224725 OXMWJTCTLJKQSR-QAETUUGQSA-N 428.602 4.584 30 10 IJEE CCCC(C)(C)N(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cccs1 1658391862 AUEAGWNBWXLDRR-FQEVSTJZSA-N 444.670 4.599 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](Oc2cccc(F)c2)C1 1659820855 HYHDMIJHOJNZPP-YJBOKZPZSA-N 427.545 4.508 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(OCC(F)F)n1 1660472003 XVGADVKWSYWOOH-UHFFFAOYSA-N 444.251 4.847 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cn1)c1ccc(C(F)(F)F)cc1 1660841487 SFWHJHFYFQNPOL-LJQANCHMSA-N 434.462 4.766 30 10 IJEE C#Cc1cccc(NC(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)c1 1667090542 SSFWAGVVGMGNML-IBVKSMDESA-N 428.532 4.875 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccc(Br)cc1 1667369016 RFBUZVUMNHLZPU-NRFANRHFSA-N 436.309 4.919 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 1672214199 GNQGBIYGIPVWQL-YJBOKZPZSA-N 431.330 4.948 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)cc21 1673311328 FGWRPIWIDMNQHB-HXUWFJFHSA-N 430.430 4.847 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2ccc(C(F)(F)F)cc2C1)c1ccc(Br)cc1 1674030307 CWVLIDCXABZZDE-GOSISDBHSA-N 437.259 4.910 30 10 IJEE C#CCN(C(=O)NCC1(c2ccc(OCC)cc2)CCOCC1)[C@@H]1CCCc2ccccc21 1677256010 NTRUPWMJNFQVNK-AREMUKBSSA-N 446.591 4.856 30 10 IJEE C#CC[C@@H](NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 1680514724 CZMKBSJLUBXIEB-QGZVFWFLSA-N 425.838 4.587 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(C(F)(F)F)ccc2C1)c1ccc(Br)cc1 1683511947 DAULQOWJKFNIIC-GOSISDBHSA-N 437.259 4.910 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1Cc1c(C)sc(C)c1Br 1690072781 TXMJNGMCFRUTHC-UHFFFAOYSA-N 444.402 4.597 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(C)CCCCc1ccccc1 1690225035 YUSBHWCJHYTZBN-UHFFFAOYSA-N 426.362 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1ccccc1Cl 1690245751 MNHOWUJRPJLHIV-NQIIRXRSSA-N 430.980 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(c2ccccn2)CCC1 1690258434 GCKISLBHCMOGTR-UHFFFAOYSA-N 447.583 4.882 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](C(CC)CC)N(C)C)CC1 1690372288 IEXFQSGNALUKMM-XMMPIXPASA-N 447.631 4.654 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCn2ccnc21 1690446722 FKOMBHHJEMLKRA-QFIPXVFZSA-N 429.572 4.773 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)Oc1ccc(C)cc1 1690576383 YWXDLOBGKUJXIJ-LJQANCHMSA-N 448.596 4.709 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)c1ccc(C)cc1 1690613747 SCMIUASTMOFONS-SFHVURJKSA-N 425.964 4.744 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](C[C@H]4CCOC4)C3)nnc2C(C)(C)C)cc1 1690681095 GAUHFAFSSOHARO-FCHUYYIVSA-N 438.616 4.832 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1691164222 DJSGEZHDIRAPGF-YIXXDRMTSA-N 448.659 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCSC(F)(F)F 1705477414 NUCAXDHEVWECOT-GJZGRUSLSA-N 442.507 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(CC(C)C)c1C 1705484629 SJRDCUKEZWDOGI-HNNXBMFYSA-N 445.398 4.919 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC[C@@H](COC)C1 1705524424 LQLSVUVXHNWZAY-RTBURBONSA-N 430.980 4.738 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1705530148 JWLWEUSKHNFUGR-VXKWHMMOSA-N 434.613 4.655 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cscc1C(F)(F)F 1705544536 ULGADILIUOWNFP-UHFFFAOYSA-N 442.413 4.745 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc([C@H](C)O)cc1 1705607268 XMINQLXCJJQIQQ-ROUUACIJSA-N 434.609 4.693 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705664389 NTMPKNITJIUONC-FGZHOGPDSA-N 438.641 4.857 30 10 IJEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1705684873 GAJLUIUBYNUTNW-UHFFFAOYSA-N 436.785 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1705723832 YTBHWTCBAQNEMA-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1705743025 LOEQUYNFVPUQBK-UHFFFAOYSA-N 426.351 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1705802168 CWAGGPXBZJUPGS-UTKZUKDTSA-N 444.542 4.700 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705803165 HPGZTPVOGPWSSK-PZJWPPBQSA-N 439.604 4.959 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@](C)(CC)C1 1705813064 UWYNXGUJLIHTMU-NRFANRHFSA-N 449.393 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCNC(=O)OC(C)(C)C 1705838686 YKCJJEGZASMEST-UHFFFAOYSA-N 437.947 4.665 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCN1CCCC[C@@H]1CC 1705862284 FAXGECJBQXPIPI-NRFANRHFSA-N 436.579 4.869 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)s1 1705880861 SFWFEHZLEWHQAX-UHFFFAOYSA-N 425.945 4.931 30 10 IJEE CCOc1cc(Cn2c(-c3ccc(C)o3)nnc2N(C)[C@@H](C)CC#N)ccc1OC(F)F 1710502986 GAWVXLFQNXYWLH-AWEZNQCLSA-N 445.470 4.633 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1722326532 IGMURPTYUNJSDC-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(OCCC)c1 1722416601 NWAHVXOZKJADDP-DHIUTWEWSA-N 438.616 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1722475262 SKSOABHYOPGAOI-DENIHFKCSA-N 448.489 4.501 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722580158 HWAFFYFWVFERLL-GXRSIYKFSA-N 428.621 4.580 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1C(C)(C)C)C(C)C 1722668110 ZIIGDIZWMIFORM-PKTZIBPZSA-N 443.680 4.527 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1722742582 YKMSDFJCFFKVBC-APWZRJJASA-N 446.667 4.878 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)c(C)o1 1724156614 CBYDVBQZFXVJSQ-QUGAMOGWSA-N 447.583 4.807 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCCN(Cc3ccccc3)C2)o1 1724287364 DLDUVZYXZYFEAN-OFNKIYASSA-N 446.599 4.745 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)c2nccs2)cc1 1724449998 GKSHGYNYUMQDCM-IRXDYDNUSA-N 426.615 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(CC)C1CC1 1740539298 CBGFOJPMCDNDMQ-KRWDZBQOSA-N 437.588 4.755 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CC[C@](C)(CC)O1 1740642111 RMXHBLCOMUIFDS-CUNXSJBXSA-N 448.611 4.709 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1740734639 LHWRASAADRBJNI-IPVFLDMMSA-N 436.600 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1740756007 DVIUJRRLHNSWEW-XQFWAAQXSA-N 435.547 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCCNC(=O)c1occc1C 1740770719 DKLABZJJSSCLPE-UHFFFAOYSA-N 441.963 4.722 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC(F)(F)CO1 1740777378 WZYSKTOHCPLVDJ-HXUWFJFHSA-N 448.558 4.981 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC2(N(C)C)CCC2)CC1 1740834695 HNDYTZITGITJBS-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2csc(COC)n2)CC1 1740836889 ONQOFQIWOUVBAW-UHFFFAOYSA-N 429.977 4.652 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(NC(C)C)CC1 1740853050 WTLZLRVFSRJRFM-UHFFFAOYSA-N 425.621 4.735 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccco1)c1ccccc1 1740854531 PVXJRYBBKZEDDH-SFTDATJTSA-N 433.556 4.711 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1cccc(C(F)(F)F)c1 1740856627 WWGBTPHNWPLFGO-UHFFFAOYSA-N 430.478 4.985 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CCO[C@@H]1C(C)C 1740920749 VLFAUVYTWPSTCO-PXDATVDWSA-N 449.574 4.657 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2ncccc2c1 1740925709 QOLWXUKPZLBAJH-UHFFFAOYSA-N 449.356 4.811 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1740943588 XTFFNRADFGCPDJ-ZWKOTPCHSA-N 442.560 4.990 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1741001133 LSUPMQKTVFGDLE-IAGOWNOFSA-N 438.601 4.528 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)CCC1 1745315644 CCIYDPGTERDKAI-NRFANRHFSA-N 437.588 4.562 30 10 IJEE CCO[C@H](CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C#N)cc1)C1CCCC1 1746627046 CWSNMKLUYFNRHP-HSZRJFAPSA-N 432.572 4.767 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1748758075 RIRBKJASDSLLGK-OAQYLSRUSA-N 433.625 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(C)ccc1F 1749129118 AYOZDZGVMJTRDF-QIJUGHKUSA-N 428.552 4.585 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749253025 IJCJRQAGMZIABM-UHFFFAOYSA-N 433.261 4.699 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCc2cnn(C)c2)CC1 1749291966 MFWRKNUYKXEKMT-GOSISDBHSA-N 440.979 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@@H]2OC)CC1 1749297029 YDIHNWJMAAUVTA-LPHOPBHVSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1749356241 ZKNWKUFJNDWOOI-HOCLYGCPSA-N 436.398 4.642 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1749393548 ZIWVTNQDZWZVTD-UHFFFAOYSA-N 439.604 4.822 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1749609555 USAHDZMIZNSNMD-RBUKOAKNSA-N 432.515 4.907 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCC[C@@H]2C)C1 1749699148 ZVOMAVDZVJKEJZ-ZVVDCOBXSA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1749754829 AHDKMKPKCIGKBI-OAQYLSRUSA-N 428.646 4.926 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(Cl)s1 1750062104 DKPGICSDJULUGR-GFCCVEGCSA-N 437.903 4.906 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1760106514 LPQWHJSOXKFBFS-IBGZPJMESA-N 449.002 4.736 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1760246911 HWNAALVZHPURDA-PMACEKPBSA-N 434.506 4.887 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(CC(C)C)C(C)C 1760275780 ILTRPJMMEAJDEV-UHFFFAOYSA-N 435.435 4.945 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760303077 AFUOASSOHFHKQX-AWEZNQCLSA-N 449.393 4.743 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(CCSC2)C1 1760311245 MLKYZBXXBMNJRT-OAQYLSRUSA-N 447.446 4.695 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1760396678 HTWUAQCVTWUBTM-TZIWHRDSSA-N 441.595 4.692 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)=C(C)C1 1760440217 DVTJKGXWUOQZNT-UHFFFAOYSA-N 429.609 4.905 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOC)CCCC1 1760457752 GAOCCISRSIHAOX-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1760457828 IXXNNKKBDXPGKK-FQEVSTJZSA-N 446.437 4.840 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1760533640 KMKJNVHLWHBURH-QZTJIDSGSA-N 440.638 4.874 30 10 IJEE Cc1c(Cl)cccc1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12 1858242176 SQZYFTITFKZYQQ-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE N#Cc1cccc(C(=O)OCC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1 1860046540 LIWIPSYSASUCTL-UHFFFAOYSA-N 438.527 4.786 30 10 IJEE CC(C)COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccccc3C#N)cc2)cc1 1860913423 RXSMDFVJUURCMI-UHFFFAOYSA-N 441.531 4.704 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccccc1Cl 1861563853 QIKXKIYVWFIINM-STNJVZKESA-N 435.008 4.572 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1862100257 HZFZRPMTHDBRHC-HSZRJFAPSA-N 444.579 4.891 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2Br)cc1 1862487876 LHPCKNFMCOQFBG-IBGZPJMESA-N 428.326 4.992 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(Cl)cc2)ccc1F 1862503014 NXAQVYCSRZVIFK-FQEVSTJZSA-N 431.891 4.528 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)c(O)c2)c1 1862503136 RBHFLRDROCOEIZ-HSZRJFAPSA-N 447.462 4.632 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2F)c1 1862561842 YCMPZCVMDONXLS-JOCHJYFZSA-N 434.442 4.634 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(Cl)cc1 1862569069 FIJBHWUKDJEOFO-RNODOKPDSA-N 429.900 4.734 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(F)cc2)cc1 1862615207 IDSNROYZIUKHID-QFIPXVFZSA-N 447.510 4.667 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C(=O)O)cc1 1862664719 PTAIJBCJSOGDOF-QFIPXVFZSA-N 445.471 4.880 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)c1 1862673446 LRCICVKUZDPRSA-XMMPIXPASA-N 445.490 4.964 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862674053 RTKADNNZGYMQMY-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862682616 BSAZCUMSMNDOBC-NRFANRHFSA-N 427.472 4.608 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(N(C)C)cc1 1862691526 ORTKJQQGARNPCS-HSZRJFAPSA-N 436.552 4.920 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862736913 PWRQBICHZGEZOM-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)c1 1862749096 QGXNXOCTLFUFHE-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(F)c(F)c2)C1=O 1862799929 NWKUAONDKPXHSW-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(c2ccccc2Cl)C1=O 1862866309 HWBVTMKKQKOORR-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1863173245 HGQNWSRVHCRLBW-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CC(C)(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868355551 MQCDHNJAYQJKJR-UHFFFAOYSA-N 446.599 4.618 30 10 IJEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CSc1ncccn1 1870311510 WZFQTPQIKDBUCG-UHFFFAOYSA-N 445.544 4.728 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1C[C@@H]1CCCO1 1870470970 ZNQBAGRKTDTMDC-VWLOTQADSA-N 436.596 4.904 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1cc(C)ccc1C 1871166451 ZCXWFOFUOKDWMD-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872136490 IFGLHODVTJFEJP-NRFANRHFSA-N 444.597 4.686 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1Br)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774289 NDDWRZSGUGEQSR-AWEZNQCLSA-N 441.306 4.834 30 10 IJEE CCOc1cc(/C=N/n2c(CCCOc3ccccc3C)nnc2SCC)ccc1O 1874249396 BKBOQUQWRMWBOB-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(OC)c(O)c1 1874324238 GJERNRYQFXRUHD-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874379271 JXPWAEWAJVYKTP-VULFUBBASA-N 448.523 4.902 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1c(Cl)cccc1Cl 1874409402 VWMOUHFRGCNRSP-SSDVNMTOSA-N 441.384 4.855 30 10 IJEE CCCSc1nnc(Cc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874418222 FWFMSBBRSAXXHE-FYJGNVAPSA-N 431.359 4.721 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874451999 YKWFKINPMVBCFN-RIDKEVFESA-N 432.908 4.802 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)NCCC)nnc2C2CCCC2)cc1 1874455248 IRGHLFDOASLHCF-PCLIKHOPSA-N 443.617 4.615 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1ccc(OCC)cc1 1874479319 VHUYDHZCFZJBCK-JJIBRWJFSA-N 445.633 4.642 30 10 IJEE CCc1ccc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874536822 XVQUGBTWBKHPLV-AUEPDCJTSA-N 434.352 4.760 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2/N=C/c2ccc(Cl)c(Cl)c2)o1 1874537229 UCYXADPWWWGJLI-ODCIPOBUSA-N 425.297 4.529 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cccc3cccnc23)CC1 1891001328 QOVHFQOULLJYOB-UHFFFAOYSA-N 429.505 4.678 30 10 IJEE N#Cc1cccc(N2CCN(C(=O)c3ccc(OCc4ccc5ccccc5n4)cc3)CC2)c1 1892411052 LFIZIUDSLFNLLK-UHFFFAOYSA-N 448.526 4.648 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1937854660 MXQYYQUXKNSFQF-UKRRQHHQSA-N 446.183 4.518 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1976433487 CYIPKVJSJBLSOK-IFXJQAMLSA-N 435.487 4.715 30 10 IJEE C#CC[C@H](C[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC)C1CC1 2020083859 XDQVWJXFKLQBCN-SMIHKQSGSA-N 428.617 4.904 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)CC1CCN(C(=O)OC(C)(C)C)CC1 2045604049 RJAOJZQMGLLDSO-RPWUZVMVSA-N 446.632 4.526 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(CCCB3OC(C)(C)C(C)(C)O3)C2)C1 2073336732 TVOSTJZICLEMLW-UXHICEINSA-N 436.446 4.828 30 10 IJEE Fc1c(Cn2nc(I)cc2C(F)(F)F)cccc1C(F)(F)F 2079172336 QOYGWKAPNSIJGU-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE CC(=O)Oc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080102732 XZIVHZNCLVGFID-CQSZACIVSA-N 430.224 4.707 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(F)c1Br 2089289473 QPBUAMHYSPJTBR-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCNc2cc(Br)cc(F)c2C#N)C1 2107451542 POCSMXWVHZCVNH-TZMCWYRMSA-N 426.330 4.955 30 10 IJEE COCC[C@@]1(Nc2ccc(C#N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2162313666 WLOMXSUXWARMBC-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1C#N)[C@@H]1CC=CCC1 2196086047 QHKBIDWSUYXBDC-CXAGYDPISA-N 434.334 4.509 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(Oc3cc(Br)cnc3C#N)ccc2C1 2198815944 RKUGNFQTAKPKQB-UHFFFAOYSA-N 430.302 4.801 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2232450828 ANPXUAWCPDZOQN-CRAIPNDOSA-N 441.414 4.574 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2235730893 PILYBQSIDJOSDZ-UYAOXDASSA-N 433.390 4.592 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@]2(COc2cc(Br)cnc2C#N)C1 2239191253 GJQQNJJYAILWTR-JLTOFOAXSA-N 436.350 4.522 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)c1ccccc1 2243911167 PCFYZMLYGCGDOY-XMMPIXPASA-N 439.515 4.685 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255526203 PXPYIESNVXETRQ-UHFFFAOYSA-N 425.353 4.813 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@H]3CN(Cc4ccccc4)C4(CCCCC4)C3)CC2)OC1(C)C 2267505769 NLGGMRXQOWBJAK-OAQYLSRUSA-N 438.421 4.706 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 2296116298 YPGUQHRFLCYIHA-JOCHJYFZSA-N 446.890 4.925 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@@H](N)C#Cc2ccc(Br)cc2)c1 2296304174 DHZPVTROTHJZBK-SFHVURJKSA-N 431.330 4.856 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296311554 YIEYVTKIIJMBAG-LSTHTHJFSA-N 435.406 4.814 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc3C2=O)cc1 2296639706 CHLKBPIAYBVQNN-UHFFFAOYSA-N 436.485 4.778 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CC[C@@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2301449613 SQRMVSFDXNIADB-RTWAWAEBSA-N 449.360 4.596 30 10 IJEE COc1ccc2c(c1)OC(=Cc1ccccc1OC(=O)c1ccc(OC)c(OC)c1)C2=O 2314527562 YQOLUFWFJPRLGD-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CC(C=NN=C1NC(=O)[C@H](CC(=O)c2ccc(Cl)c(C)c2)S1)=Cc1ccccc1 2314835609 MVBWGLILEHMUGD-FQEVSTJZSA-N 425.941 4.898 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2N=Cc2c(F)cccc2Cl)cc1 2320956328 OZOGWPGFTXQIFW-UHFFFAOYSA-N 445.951 4.808 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)c1 2322948567 ZYXWQIIRJAPIBG-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Cl)c1OCCO 2323585148 IQLAGOLVHNIGTC-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)cc2)cc1OC 2323627494 FSLRNFDGKVNHIX-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(Br)c1OCCCO 2323791813 NAPPURPGUOYLJX-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE O=C1C(=Cc2ccco2)Oc2c1ccc(O)c2CN1CCN(c2cccc(Cl)c2)CC1 2324098104 GQAYQYKIOJAKHA-UHFFFAOYSA-N 436.895 4.577 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)cc1 2324759531 MDXBXQGHVBHXBZ-UHFFFAOYSA-N 425.440 4.849 30 10 IJEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)o1 2325385135 AZGQMOIWVVZDNQ-UHFFFAOYSA-N 449.415 4.948 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccco1 2325820097 JHSMQTQTDQETDC-UHFFFAOYSA-N 426.542 4.917 30 10 IJEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330121799 PEICOOVYDAZJHD-INIZCTEOSA-N 438.553 4.616 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)ccc1O 2331115470 ACTNVJGNWDAZCH-UHFFFAOYSA-N 436.459 4.884 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c(O)c1 2331232447 MVGXEDWHNFBXDX-UHFFFAOYSA-N 444.875 4.916 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccccc1C 2331351583 GWHIGFSGOSIFLF-LJQANCHMSA-N 435.597 4.781 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COC)nnc1SCc1ccccc1Cl 2331577869 DGWYLCBMCMDZNG-UHFFFAOYSA-N 428.945 4.817 30 10 IJEE CCCSc1nnc(CCC)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331657811 QMWKLVWKSMRWEL-UHFFFAOYSA-N 438.553 4.843 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)C)cc1 2331695228 ABMQWYOWIIZVPZ-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CC[C@@H](NCC[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512622 PCBCDWRXMOYEFP-GHTZIAJQSA-N 446.441 4.672 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339578248 DTUFUIHCXXMKAJ-DEOSSOPVSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2341126981 GXUMTRXLFPVCDR-BMBPZZTMSA-N 441.381 4.536 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2366226917 KEPIIZBXPMHEKF-IPJJNNNSSA-N 433.390 4.568 30 10 IJEE Cc1csc(C(=O)NCc2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1Cl 2369894958 MQNISBCDKQGTLT-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C=CCN1C(=O)/C(=N\NC(=S)Nc2ccc(Oc3ccccc3)cc2)c2ccccc21 3041488 IQLOJTCTLIEKCM-ROMGYVFFSA-N 428.517 4.702 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1 33601094 FKQUCZOYOJGXCY-HSZRJFAPSA-N 432.520 4.525 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)cc1 34944666 YQFKMTGZHHXPJM-JOCHJYFZSA-N 440.971 4.877 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1 34954243 LMEKOEMNZKHTEK-BJMVGYQFSA-N 432.428 4.548 30 10 IJEE Cc1c(C(=O)/C=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)oc2ccc(F)cc12 34982490 GLXCFWXMOFLWPY-WEVVVXLNSA-N 425.437 4.684 30 10 IJEE CC(C)COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 110949665 SXPMDMSMFWTWLD-MYXKAAJQSA-N 442.515 4.738 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC(C)C)c1 169939040 XVMQEKZPDVILHV-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 169960760 BWJKOSDUNQIRPM-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccs2)c1 169982464 PJDGQUBQKYULFI-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)cc1 170023844 QXMBMZRPTJYBPK-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc2ccccc12 170045807 CTXPJGVJMQDEOL-XMMPIXPASA-N 440.499 4.936 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccco2)cc1 170096976 XSPNPPRNNADNKX-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(OC)cc1 170116188 JXUSLLCFVUYJFO-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1OC 170125168 FMPMZVFYUGKTBR-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(O)cc1 170134085 VWTZYESCPRGJTA-REWPJTCUSA-N 449.547 4.755 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)c1 170155287 ZONDYMZMGMNREE-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)cc1Cl 170168021 DRUQIRBSGQFJEX-LJQANCHMSA-N 440.908 4.584 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1C(C)C 170192783 MTIQGASGHYUPIF-HSZRJFAPSA-N 446.503 4.975 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1C(C)(C)C 170192806 RZILPOYMYRWZLB-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccc(F)cc3)ccc2O1 170237491 VCZXVYGOPCWGNH-PEBXRYMYSA-N 449.503 4.989 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2F)cc1C 170251993 GXMRIZUSEOLMHR-QFIPXVFZSA-N 441.499 4.538 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1F 170252012 XGZPJELZFFWDFR-HXUWFJFHSA-N 443.858 4.840 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(O)c1 170259702 DHGLMJYYUHFLDC-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccco1 170279970 HDZHMPRABLPAFP-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 170444146 FCRHOPRRZHZVAL-QFIPXVFZSA-N 442.943 4.930 30 10 IJEE CC(=O)c1c(C)oc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)c1C#N 170578046 OCXMDGSLBIMCTL-UHFFFAOYSA-N 426.428 4.996 30 10 IJEE COC(=O)/C=C1\SC(=Nc2cccc(SC)c2)N(c2cccc(SC)c2)C1=O 254745329 NBBLJCUYSGGNTL-VTPWGRHDSA-N 430.576 4.955 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 436456645 KZNUVKKSHSZSDK-QGCDCVKKSA-N 429.545 4.845 30 10 IJEE N#CC1CCC(CNC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)CC1 440977863 QYKGXCXTQNUMGJ-UHFFFAOYSA-N 430.552 4.660 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1CCc1ccccc1 460557969 VZHJYCSAPYRIRB-FQEVSTJZSA-N 440.551 4.772 30 10 IJEE Cc1ccc2nc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)[nH]c2c1 467709372 UAWZKIIHCHLKMP-UHFFFAOYSA-N 425.492 4.952 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)c1cc(F)ccc1F 489646780 ZLCZXFRLQJXYFK-OAHLLOKOSA-N 429.492 4.993 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N(C)Cc1cc(Br)ccc1Cl 508849271 QKQFKZLNMMPWOJ-UHFFFAOYSA-N 432.753 4.502 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(CN(C)CCCC)CC1 508954623 AXGRWHQOOKYOCH-ZEQRLZLVSA-N 437.632 4.658 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 520781200 LOEFWWKPWBJRPZ-FRGLQRNOSA-N 436.552 4.671 30 10 IJEE C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 524427088 CPJIQXKCWCZLQD-KRWDZBQOSA-N 447.922 4.949 30 10 IJEE Cc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)o1 526829432 IOULKZUZBKXZNH-UCQKPKSFSA-N 433.493 4.853 30 10 IJEE C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541069122 SUNZSRQHUIHZEH-AVRWGWEMSA-N 439.515 4.834 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543917754 OHRGOOCMFMQJEL-INIZCTEOSA-N 440.503 4.633 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)c1 552586241 DIOTUQWLGMSHQO-MRXNPFEDSA-N 434.883 4.894 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 555242635 TXYDZQDNUXIVTN-OAQYLSRUSA-N 434.588 4.920 30 10 IJEE COc1ccccc1-c1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3C#N)CC2)nn1 585193274 HSJRPHJNHOHIKH-UHFFFAOYSA-N 447.926 4.532 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCCC 719443922 PFIMESACKBABDP-IAGOWNOFSA-N 443.813 4.930 30 10 IJEE CC(C)c1nc2cc(NC(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)ccc2o1 740506575 CBYBAXDIKCVVTK-UHFFFAOYSA-N 444.516 4.806 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1 742214194 BJIPQXUCHZAVSL-QFIPXVFZSA-N 433.577 4.986 30 10 IJEE C=CC[C@@H](c1ccncc1)N1C(=O)[C@H](c2ccc(Br)cc2)N(C(C)C)C1=O 761271491 ZMJOJAWYOOHIDE-OALUTQOASA-N 428.330 4.875 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@H]1c1cc(-n2ccnc2)cs1 783938179 ALVQVLOEYCMIAV-NRFANRHFSA-N 436.512 4.550 30 10 IJEE C=CCC[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1127412081 XGYKAHIZQJCGKO-IBGZPJMESA-N 449.429 4.557 30 10 IJEE C=C(C)[C@@H](CC(=O)N(C1CC1)[C@H](C(=O)OCC)c1ccc(Cl)cc1Cl)OCC 1128065679 HUZQMBFITSDCCR-QUCCMNQESA-N 428.356 4.960 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1128745122 JINACDKDZXITMJ-SPLOXXLWSA-N 425.356 4.964 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OC)cc1OCCC(C)C)c1ccc(Br)cc1 1129730305 FLTCFHHNJKUUCS-HXUWFJFHSA-N 430.342 4.987 30 10 IJEE C=CC[C@]1(C(=O)NCc2nc(-c3ccccc3)cs2)CCCN1C(=O)OC(C)(C)C 1136298776 GSVOBWPVXCGVFK-HSZRJFAPSA-N 427.570 4.772 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCc3ccc(OC)cc3)CC(C)(C)C)n[nH]2)c1C 1136783368 ZWPHVMKKBATPHD-UHFFFAOYSA-N 449.599 4.816 30 10 IJEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1-c1cccc(Cl)c1 1153857516 FFLRWXOFNSKUCI-WBVHZDCISA-N 445.972 4.866 30 10 IJEE C#CCN(CC(=O)Nc1c(C)cc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1167420461 FVUDRZBKNNLIFO-HXUWFJFHSA-N 441.369 4.772 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cccc(S(=O)(=O)N2CCCCCC2)c1 1178661470 QGZMHPBCHVVJAU-UHFFFAOYSA-N 432.973 4.529 30 10 IJEE C=CCOc1ccc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)cc1OC 1178904187 ROGSOFWDXCWROG-CQSZACIVSA-N 435.446 4.794 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@H]1COCCN1C1CCCC1 1183762893 GGPHJTOPIGMUBD-OAHLLOKOSA-N 442.375 4.558 30 10 IJEE C#CCN1CCC[C@H](Nc2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)C1 1187585739 DBWPKGFZOZNNEV-LBPRGKRZSA-N 430.243 4.665 30 10 IJEE COc1ccc(C[C@@](C)(CO)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 1214868456 GYEVJHFLEULAEV-SANMLTNESA-N 445.519 4.783 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1224012057 JOZXXBAQMPAABX-HXUWFJFHSA-N 427.342 4.735 30 10 IJEE CCN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H](Cc1ccc(F)cc1)C(C)C 1265480709 HHLAEENDKWKAFB-GBXCKJPGSA-N 425.523 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1ccsc1)N(CC)CC 1286279825 QFFBTNYCIAJRMY-PGRDOPGGSA-N 437.613 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1286294450 DBXGJFZTOHRQPP-RBUKOAKNSA-N 431.625 4.504 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1286449185 NBLSYEVFJUPWFM-UHFFFAOYSA-N 446.624 4.806 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCc1cccs1 1286501124 MYTRISAGVVOYLC-UHFFFAOYSA-N 434.993 4.844 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)[C@@H](C)C1CCC1 1286534244 FBCSWBNPCXXRPJ-HNNXBMFYSA-N 449.393 4.886 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CC1CCC1 1286564418 VECNBMPZUYYUAT-DXBBTUNJSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1scnc1C 1286566880 JZVCFTBJUVRDFE-QGZVFWFLSA-N 429.565 4.967 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2c[nH]c3cccc(C)c23)CC1 1286653028 PXMUGTQEBMWBNP-UHFFFAOYSA-N 448.615 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1286672216 JLEIFJCTDBOJDR-UHFFFAOYSA-N 431.669 4.944 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC)[C@H](C)C1)c1ccccc1 1286679812 TXUDMGJKUKGMPN-FYYLOGMGSA-N 430.600 4.539 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(CC)C1 1286683449 RCXHTDLKGXJIQF-QHCPKHFHSA-N 429.996 4.844 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C 1286740609 QZVVQLWTLBEQFN-TZIWHRDSSA-N 444.645 4.761 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCN(CC)C(=O)OC(C)(C)C 1286744348 HVVFZQOUTDDOLP-UHFFFAOYSA-N 445.583 4.990 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1cccs1)N(C)C 1286755037 KMXLEFGEXHURET-QFIPXVFZSA-N 446.624 4.980 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2cc(Cl)ccc2OC(F)F)C1 1286807066 IWKBFQOCAIDJPF-KRWDZBQOSA-N 440.922 4.561 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1286833756 NUIDLEBBJJZZFE-UHFFFAOYSA-N 447.530 4.838 30 10 IJEE C#Cc1ccc(CNC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)cc1 1298093057 NXRZQKZQLUFIKO-UHFFFAOYSA-N 446.553 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1300321802 NSHXLBAAIVNZRM-XKCSPQBFSA-N 447.627 4.969 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1300393996 KVHCXDSBVJVXBR-UHFFFAOYSA-N 440.588 4.550 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccnc(C(F)(F)F)c1 1300446714 QRSQQAPXGBUICB-UHFFFAOYSA-N 440.256 4.783 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CCN(CC)C(=O)OC(C)(C)C 1300601275 FILVEQXBJQUATC-OAQYLSRUSA-N 439.604 4.537 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 1300738153 UQWJVVOUYBCEPZ-ZBFHGGJFSA-N 431.627 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCN1CC 1300790538 SDKBILVIHSOXBJ-VGOFRKELSA-N 432.399 4.728 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1300981409 ZUAIRHPCVXHYJV-WOJBJXKFSA-N 440.588 4.572 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(C)(C)C)C1)c1ccccc1 1301003125 DJRNVESSAVECLW-FQEVSTJZSA-N 430.556 4.511 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N(CC)CC)CC1 1301106425 UKGYPBOEOVUXMH-OALUTQOASA-N 429.584 4.690 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nc(C)cs2)CC1 1301109568 LJMSGRMIXYXGAN-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1301129947 IDCDXTXFNKOMPF-DEOSSOPVSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCC2=O)CC1 1301140644 AAJOSVNBSGJYNW-UHFFFAOYSA-N 442.007 4.792 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1301185602 IAFSPVJPZSNSHQ-HXUWFJFHSA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C2CCOCC2)C1 1301197350 IUKWMONATUOJHI-BHDDXSALSA-N 430.637 4.806 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(F)(F)CC1 1301206648 ILHZMWRBVFTKCT-UHFFFAOYSA-N 441.320 4.918 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)Cc1cccs1 1301310936 VIBUISLYTJGPBV-MJGOQNOKSA-N 445.633 4.913 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC(C)(C)c1ccccn1 1301351318 PKUJBXHVMYNYMM-UHFFFAOYSA-N 430.531 4.978 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1CC1CCOCC1 1301365772 YICMPBXHPHAVOJ-UHFFFAOYSA-N 438.597 4.846 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1301379472 MBNFLXFPYNQLLY-JPYJTQIMSA-N 446.954 4.644 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1301423932 DUOHXQJVSNQFHZ-JBACZVJFSA-N 430.980 4.931 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccsc2Br)C1 1301556443 HNYJFCGETRSBHR-OAHLLOKOSA-N 439.423 4.520 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)c2ccccc21 1304063239 ADKQKQYZXRFXFF-SFHVURJKSA-N 437.565 4.696 30 10 IJEE CCC1(Cn2c(N3CCN(c4cccc(F)c4C#N)CC3)nnc2C(C)(C)C)CCCC1 1305912974 CPUCOXWUFFICAZ-UHFFFAOYSA-N 438.595 4.883 30 10 IJEE C=CCn1c(SC[C@H]2CCCN(C(=O)C(C)(C)C)C2)nc2sc3c(c2c1=O)CCC3 1307259296 TUEXOSHGHWSPNR-HNNXBMFYSA-N 445.654 4.510 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1OCC 1308358655 MHBUBDSRBSJRIM-SUMDDJOVSA-N 444.460 4.882 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1309074169 FIZQVQXSHFCWQZ-UHFFFAOYSA-N 447.343 4.942 30 10 IJEE O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H]1c1cccc(F)c1 1309238786 AGWZHVJPHVQFPQ-OAHLLOKOSA-N 427.341 4.999 30 10 IJEE C#CCN(C(=O)Nc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1309984999 JNNHUJXQBICMDR-UHFFFAOYSA-N 440.588 4.544 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1356006575 YJJPCWZVXNDYDB-HXUWFJFHSA-N 447.457 4.676 30 10 IJEE C=CCN(C(=O)c1oc(SC)cc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1356598783 WGDXBUFEERBURD-UHFFFAOYSA-N 448.591 4.670 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1358944587 ZIRVDOXORGUCKJ-SJORKVTESA-N 436.478 4.715 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(C(C)(C)C)no1 1359003318 GTEKYHCLJHUXCD-MRXNPFEDSA-N 437.613 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCN1CC 1359107522 OPXGGKRRXLUOCI-TZIWHRDSSA-N 429.584 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCSC1 1359116402 JQECMGIUNBHVSG-ROUUACIJSA-N 435.638 4.506 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC(OC(C)C)CC1)c1ccccc1 1359140193 RWRQNKAMLWCLKE-UHFFFAOYSA-N 437.613 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1359190177 HLBISMBLGIYDEZ-XMMPIXPASA-N 444.627 4.971 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359200146 UCKOSWIJUXRFRB-UHFFFAOYSA-N 443.477 4.562 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCCCC2)C1 1359209715 WVKXNPKGMLDGPP-UHFFFAOYSA-N 448.409 4.552 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1359211801 PAUWTJJSPGJIQZ-VWLOTQADSA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2Cc2cccs2)nnc1[C@]1(OC(C)C)CCOC1 1359220485 ANLHBALAYOROQF-XXBNENTESA-N 430.618 4.558 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1359222568 LUMPZMJWQZVTPT-AREMUKBSSA-N 449.599 4.790 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)SC)C1CC1 1359252936 MBSNXSKICQJZCS-CQSZACIVSA-N 437.407 4.526 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@H]1C 1359261390 HBLVCVGVCPXALV-KBMIEXCESA-N 426.580 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@H](c1cccc(F)c1)N(C)C 1359263241 VRXLBBSXJDBTPT-OAQYLSRUSA-N 425.577 4.852 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C 1359266401 ZQULXDCNCXUCEI-HXUWFJFHSA-N 449.430 4.871 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1359269020 LWJZBHNTWFPLCJ-GOSISDBHSA-N 425.577 4.593 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359338982 OFGTWZJRBZPKSJ-UHFFFAOYSA-N 437.613 4.709 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 1441985789 TUKCGTUQADMXEQ-GOSISDBHSA-N 444.963 4.861 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)cc(F)c3O)cc2)c1 1443155917 FUFJMYQWBFQSMW-UHFFFAOYSA-N 441.256 4.997 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)c1ccccn1 1456797487 KXZDSFFNBPZUII-PMACEKPBSA-N 429.948 4.518 30 10 IJEE N#Cc1nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)sc1Cl 1458067332 GDSZNSVMPGNLLV-UHFFFAOYSA-N 430.911 4.858 30 10 IJEE Cc1cc(NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n2c(nc3ccccc32)c1C#N 1458201308 GWBGAWZNBGFWGO-OXJNMPFZSA-N 449.555 4.840 30 10 IJEE CC[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(C)c(F)c1 1458406426 IBAWWKCSMYKJCI-IBGZPJMESA-N 436.487 4.738 30 10 IJEE CCn1c(SCc2cc(C#N)ccc2OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458825788 AHKFNKUGGCBAFR-CYBMUJFWSA-N 425.579 4.775 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccccc1 1463742584 GVZYOBMAZSAEQI-LJQANCHMSA-N 440.487 4.606 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F)C(=O)OC(C)(C)C 1464471430 XIAHSWZOGRHBQS-GOSISDBHSA-N 426.479 4.574 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](CO)c1ccc(Cl)cc1 1464716000 BTNZJQKVVPQVCW-QGZVFWFLSA-N 426.713 4.532 30 10 IJEE C#CCN(C(=O)Nc1cccc2oc(C)nc12)[C@H]1CCOc2ccc(Br)cc21 1466547774 ARVUWPDUXLAFOC-KRWDZBQOSA-N 440.297 4.890 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccc3ccccc23)C(F)(F)F)c1 1466787903 XSWGDTRDKHTVSU-NRFANRHFSA-N 445.462 4.670 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H](C)c1ccc(I)cc1 1466917138 LWJPQOZRZCWNRX-INIZCTEOSA-N 435.305 4.931 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Br)cc1 1468451322 PSHTWZNIMTUGJF-IAGOWNOFSA-N 437.378 4.569 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1469493122 ZUSLSWNYJSZHGQ-IRXDYDNUSA-N 443.466 4.563 30 10 IJEE C#CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1Cl 1472909849 QNIWCEGLCWMIFN-UHFFFAOYSA-N 438.984 4.727 30 10 IJEE C=CC[C@@H](Sc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1)C(=O)OC 1472952673 DYALXFJKISZAPO-LJQANCHMSA-N 430.574 4.614 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 1476728812 DCABJQLEKLIUHZ-IAQYHMDHSA-N 437.256 4.588 30 10 IJEE C[C@@H](CO)C1CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1476792235 HILLRIJOSNHMLS-NSHDSACASA-N 430.364 4.848 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1507556339 LHRCKMLJXBWNBK-GOSISDBHSA-N 437.975 4.873 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1507780681 FCHDVXHQWNESJV-OAQYLSRUSA-N 437.345 4.532 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C)=C(C)C1 1507782575 KUCDPDKBOUJFBJ-UHFFFAOYSA-N 439.361 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1SC 1507800284 MTRPKKCEOYXZAO-IRLDBZIGSA-N 435.597 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)C)C1 1507807544 PYZYDGGXSTYLKJ-HWBMXIPRSA-N 438.616 4.937 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1507840337 LSIYBMYSEZWBSB-CLOONOSVSA-N 440.588 4.714 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1507850916 VMSFFIDOGVSYTA-HDICACEKSA-N 440.542 4.581 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1507916838 HDGOVHVNBNWCAW-HXUWFJFHSA-N 438.620 4.789 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1507990895 PFBMXODVUVIOEQ-MOPGFXCFSA-N 440.588 4.711 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1507998232 NYMLPZUBTVGTOE-OAQYLSRUSA-N 425.621 4.509 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@H]1C(C)C 1507999993 SVEKQJOREFARPO-ZCYQVOJMSA-N 433.600 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H](O)C1 1508010604 BCYZOTNPRJRDMF-HKUYNNGSSA-N 428.627 4.736 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC=CCC2)C1 1508116271 IOLIXPHAIZKXAL-PXNSSMCTSA-N 443.389 4.845 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1508153583 NQYZIZUVTFUHMR-AVRDEDQJSA-N 435.597 4.855 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(N(C)C)CCC2)c1 1510704330 DQFLEFVYWYOEFX-HXUWFJFHSA-N 438.620 4.512 30 10 IJEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1512101675 GNHHGLADFCWGES-UYAOXDASSA-N 427.618 4.885 30 10 IJEE C#CCN(C(=O)[C@@H](C)OCc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1521819841 USXNIXAYCJCZDV-DYESRHJHSA-N 442.353 4.648 30 10 IJEE C=CCCOCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1527956552 XEMWGYSFUYJSMP-UHFFFAOYSA-N 440.341 4.624 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2ccccc2OC)on1 1535433018 MEIRPDGFEPUOGI-UHFFFAOYSA-N 429.270 4.930 30 10 IJEE C#CCN(C(=O)c1ccc(Cn2cc(Br)cn2)cc1)[C@H]1CCCc2ccccc21 1536287911 IQZKHGLGNAGSBA-QHCPKHFHSA-N 448.364 4.847 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539094682 SQRVZFXIEQCHHV-IFMALSPDSA-N 446.599 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C)cs1 1539538229 FMENAOIHXAKQRO-KSFYIVLOSA-N 441.988 4.877 30 10 IJEE 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C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C)c1ccccc1 1722275643 CTMUAKQCHHSTSK-JKSUJKDBSA-N 426.362 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOC)CCC1 1722277024 LBBNLBIGFDSPTH-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@H](C)N1CCCCC1 1722279411 OTLRMWYMJCDPKJ-RTWAWAEBSA-N 430.600 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC[C@H](OCC)C(C)C 1722284152 ZBKPUYGYBYNREU-GJZGRUSLSA-N 439.423 4.678 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(c2ccnn2C)CC1 1722310079 HEVZPKFMVSVKEK-HSZRJFAPSA-N 430.600 4.741 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCCC1 1722343554 CSPCEFIKYRWWJL-LJQANCHMSA-N 444.023 4.632 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCC(F)(F)C1 1722421955 PNRFNGGMJZAOPJ-UYAOXDASSA-N 432.490 4.734 30 10 IJEE C#CCSCCn1c(-c2ccccn2)nnc1N(Cc1ccco1)Cc1cccs1 1722455615 ORMAHGNKJLGPAW-UHFFFAOYSA-N 435.578 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)CCc1ccccc1 1722505890 KUMFHRVVLXSAPB-ISKFKSNPSA-N 431.584 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1722507360 ICAGFYMTEHMGRI-IIPCHUTBSA-N 446.542 4.977 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722527816 AWASDPCWGKDNGD-FCHUYYIVSA-N 426.605 4.664 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)CN(C)C)CC1 1722564017 GAGODOIJOLNWRV-HXUWFJFHSA-N 441.620 4.561 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2OCCC2(C)C)CC1 1722574767 RPQHAGHLLKXRQE-LAUBAEHRSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2c(C)nn(C)c2C)CC1 1722575068 WRPWUGIFDGUFCK-NRFANRHFSA-N 448.615 4.836 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722584855 YRCDKFNEOFRFQA-IBGZPJMESA-N 444.668 4.995 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCC1CC1 1722618398 QOOLDOKNYSVLGH-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCCCC2)nc1 1722669794 MRHAPSDVCDIAJU-UHFFFAOYSA-N 444.583 4.566 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CCc1nc(C)c(C)s1 1722675661 QQLQNRVYTZHWDY-OAQYLSRUSA-N 437.613 4.681 30 10 IJEE C=CCn1c(N2CCC=C(c3ccccc3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691301 RIUKGNKQXQGCHP-OYRHEFFESA-N 435.572 4.529 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)Cc1cc(Cl)ccc1OC 1722735355 JSHIIEPZQHULBE-UHFFFAOYSA-N 429.977 4.558 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1727050878 HIVBPKQJMCOMRM-OAHLLOKOSA-N 428.462 4.761 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC2CC2)c1 1731178785 HNKIRSAIPKONIS-UHFFFAOYSA-N 429.368 4.548 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](SC)C(C)(C)C 1740633708 QNEUKGZBIAQDPI-LAUBAEHRSA-N 440.682 4.982 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H](OC)C(F)(F)F 1740665212 UBHFPMNNGFGSCD-OAHLLOKOSA-N 435.277 4.679 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC(F)F 1740753274 HMTNSMHWTIKDRI-QAPCUYQASA-N 442.457 4.619 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(Cl)ccn1 1740753321 IETGGWWTJFQRJR-OXJNMPFZSA-N 427.936 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(OC(C)C)c1 1740758428 XMASANLAAZOOBT-XUZZJYLKSA-N 447.583 4.745 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCN1CCC 1740769915 YNUSLRAOZXNPOS-NRFANRHFSA-N 426.565 4.520 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1740821256 GJTGPMLKVWGEDE-SFHVURJKSA-N 441.551 4.640 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740863355 VUOGCNZYHOOJOO-APWZRJJASA-N 436.478 4.926 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1cccs1 1740936927 NWKWQIRDGHWAKF-UHFFFAOYSA-N 425.583 4.572 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1740944233 UCVQOANHWAKJPB-LBPRGKRZSA-N 435.395 4.746 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ccc(Br)s1 1740948570 OGTWOXSUWQELOV-UHFFFAOYSA-N 442.386 4.928 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)C1(C)C 1746923974 IERRXKLWBFESNV-HLAWJBBLSA-N 439.629 4.600 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749029092 JWINDJUXVMOKNM-IBGZPJMESA-N 437.638 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)C1CCCCC1 1749165917 SJSCGDRROYQMKP-RUZDIDTESA-N 426.605 4.899 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1cc(C)cs1 1749187485 NJELMKAZNBULBH-UHFFFAOYSA-N 448.596 4.647 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(OC)c(C)cc2C1 1749258298 TUGGLSHLLZVALJ-UHFFFAOYSA-N 430.339 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1F 1749353811 BHOKLGSBKUFGOM-QGZVFWFLSA-N 436.535 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1749373739 SQBFSRSTABOMSH-JOCHJYFZSA-N 447.608 4.982 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1749403783 KUQCORVRLPOTQG-UHFFFAOYSA-N 447.427 4.941 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1749433539 NDIZOUHZCMMNPT-HSZRJFAPSA-N 440.588 4.986 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(C)C)C1 1749454919 MJYJKBNZWBJOLA-OAQYLSRUSA-N 434.588 4.596 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1Cc1ncccc1C 1749529887 ODPLMDIJTLHOMQ-UHFFFAOYSA-N 431.584 4.964 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1749554319 RGHTWCRLSGLOBF-QGZVFWFLSA-N 434.569 4.948 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)CN2CCCC2)C1 1749696072 PBIVBKXBQRVNKY-OAQYLSRUSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)C1 1749718014 AALRSOOZTOBYNO-VQTJNVASSA-N 449.020 4.578 30 10 IJEE CC(C)(O)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C#N)CC1 1750528489 HLUJQSWLUJXXON-UHFFFAOYSA-N 429.977 4.714 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H]2C(C)C)C1 1750830685 GAAICDYRMXSUAL-UPVQGACJSA-N 434.632 4.810 30 10 IJEE Cc1ccoc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 1751373741 AOMLHXQIXXSKIE-DEOSSOPVSA-N 437.519 4.546 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1760155951 PMECILBLVSLLPA-ZJSXRUAMSA-N 449.624 4.651 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)C1CCCCC1 1760226283 AOBYDQCXQRLUJD-CJAUYULYSA-N 440.657 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCc2cccnc21 1760339394 HCYUFUKSXHKHOC-HSZRJFAPSA-N 445.611 4.989 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1760352931 BUOOBJYSUYVNLW-NHCUHLMSSA-N 425.602 4.520 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1760371413 YQAYHTCPIIXXLO-ZIAGYGMSSA-N 437.769 4.703 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1760406587 HSWNCQFLSTZQGU-IPJJNNNSSA-N 440.588 4.787 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC)CC1CC1 1760440322 HGDVOWWTNZPMSX-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1)C1CC1 1760473902 IUODYDLQNHNTEX-IEBWSBKVSA-N 438.469 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1760496476 WFQNZQDRJKROJG-IRXDYDNUSA-N 435.597 4.745 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760564561 BOOSWXQORVITEE-HNNXBMFYSA-N 425.023 4.758 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1771449975 GIVBLMLDQPIILC-IPJJNNNSSA-N 441.645 4.990 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1c(Cl)ccc(Cl)c1Cl 1861150750 UZINROBSEBNAPH-CJNGLKHVSA-N 449.806 4.699 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)cc1 1862441527 KATRLTIEHJTPIG-QFIPXVFZSA-N 440.971 4.959 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482736 SKJPOWFPSBSDOX-QUCCMNQESA-N 445.437 4.771 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504058 LSKBEBWACBGSPH-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OCCCCC)cc1 1862634017 INZUZACROHANGL-QHCPKHFHSA-N 449.503 4.749 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1Br 1862693630 PRVVEQGSYJSDRH-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE CN1CCCc2cc([C@@H]3C(C(=O)c4ccc5ccccc5c4)=C(O)C(=O)N3C3CC3)ccc21 1862720990 JYVYBHWOEWVDDP-RUZDIDTESA-N 438.527 4.963 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(OC)c1 1862749459 YYXCQYNWMHDREI-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc4c(O)cccc34)=C(c3ccccc3F)C2=O)c1 1862927455 TXTRQASHJFDJCS-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE Cc1cc(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093519 RNHVYBGSCLNPRY-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(CCCOC)C1=O 1863564913 JGUWEEPVEATAPS-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE COc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866981241 VNIMBZRHRZJTCF-DQEYMECFSA-N 441.531 4.803 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)c(C)c1 1867092741 WBUASGCGVNETAW-SANMLTNESA-N 439.515 4.634 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)c1ccccc1 1868840434 SJPKBRXLILEZDR-LAUBAEHRSA-N 441.369 4.611 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CCOc2ccccc2)cc1 1870160859 NNQSMVSEUUICTQ-UHFFFAOYSA-N 433.512 4.506 30 10 IJEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870890158 ONZKMJAZOLQWFG-UHFFFAOYSA-N 431.536 4.746 30 10 IJEE Cc1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871382167 MLOMUGDTVSYTHD-MIAABOGCSA-N 428.400 4.533 30 10 IJEE Cc1ccc(/C=C2\Oc3c(CN4CCC(N5CCCCC5)CC4)c(O)cc(C)c3C2=O)o1 1871398725 NCMDRORDTRLYJS-HAHDFKILSA-N 436.552 4.669 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1 1871447212 PPDWVYNAGLAOCJ-JLPGSUDCSA-N 428.488 4.776 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871456588 MRZBVZZVNXCYBW-NHDPSOOVSA-N 448.406 4.676 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N(C)CCO)n1 1871523128 BVNNXNKSJQEEST-UHFFFAOYSA-N 435.016 4.672 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872060648 IJDVIIYHRTXGKH-FQEVSTJZSA-N 438.952 4.628 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872092781 MMWDJUDSJJEPQY-LJQANCHMSA-N 439.581 4.687 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(OCC)cc1 1872534517 WEDHJSQMQLVSTM-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE CCCCCCCCCCNC(=O)Cc1nonc1OCC(=O)Nc1cc(C)cc(C)c1 1872646554 QJDNKGZHTIJPQG-UHFFFAOYSA-N 444.576 4.503 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(NCCCCCCO)ncnc21 1873642994 UNECSGLYGGACBI-UHFFFAOYSA-N 435.572 4.958 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2c(N3CCCC3)ncnc21 1873650772 VJIHGNBUHMMOHT-UHFFFAOYSA-N 440.345 4.541 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1cc(Cl)ccc1Cl 1873710533 JDDVIBBQNLRJFX-UHFFFAOYSA-N 446.359 4.996 30 10 IJEE CCc1ccc(OCCCc2nnc(SCCCO)n2/N=C/c2ccccc2C)cc1 1874223924 KMGPIWJZVJHZED-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874299615 KAELZKQBLCNWEA-FSJBWODESA-N 437.525 4.933 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc(OC)c1OC 1874300111 ITBBPCPCPPFIEM-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE Oc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1cccc(F)c1 1874383610 UDLCVMUPVVXFHB-AFUMVMLFSA-N 434.496 4.876 30 10 IJEE COc1cc(Br)cc(/C=N/n2c(SC)nnc2[C@H](C)c2ccccc2)c1O 1874391668 OQRNLNQOBPVYDB-KIHMUJGBSA-N 447.358 4.511 30 10 IJEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1C(=O)O 1874439248 ROUVOGZSLPFMCC-ZMOGYAJESA-N 426.517 4.879 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)c1OC 1874441974 ORJBTLQZPRLLQI-LSCMLXDISA-N 438.553 4.630 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCC2)n1/N=C/c1c(OC)ccc2ccccc12 1874498749 PXPVNZDYIYAYOO-ZVHZXABRSA-N 438.553 4.635 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1OC 1874572760 DGPCPZIADNHUHH-VMPITWQZSA-N 432.900 4.831 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCCCO)c([N+](=O)[O-])c2)cc1OCCC 1874612865 PQHJKYLHSMGFGU-RMKNXTFCSA-N 443.496 4.830 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC(=O)N(CC)CC 1874627769 VHICORHFHRTYJE-FMIVXFBMSA-N 443.490 4.845 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)N1CCC(Cc3ccccc3)CC1)n2CC(C)C 1875210038 VCVQSMOLFZHNIB-UHFFFAOYSA-N 431.584 4.780 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922997555 YDAROWCRCOVYEU-MSOLQXFVSA-N 441.486 4.907 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC1 1940837521 VMKWHTMXYMMBJF-YTZBPGPESA-N 437.581 4.522 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 1962794435 VZMXMBQWYOMBJN-KRWDZBQOSA-N 429.399 4.773 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)CC1 1984694907 NQLWKMPXDOHROV-UQBPGWFLSA-N 445.563 4.702 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NC 2028859907 OALXMAISINKEEP-JKSUJKDBSA-N 429.786 4.540 30 10 IJEE CC1(C)OB(c2cc(C(F)(F)F)cnc2N(Cc2ccccc2)CC(F)F)OC1(C)C 2052611127 QDWMUZULGNEDRE-UHFFFAOYSA-N 442.237 4.671 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNc2ccc(C#N)c(Br)c2F)C1 2115610008 QHVALOQYYHJORC-MXXVBZNESA-N 430.293 4.515 30 10 IJEE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(c2ccc(C#N)c(Br)c2F)C1 2118190986 ATCGUGBJPLNLPK-ZDUSSCGKSA-N 426.330 4.589 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2118203836 AVWCYUZKJXVICO-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNc1ccc(C#N)c(Br)c1F 2162401798 GZOSVKIHAQHQDN-AWEZNQCLSA-N 438.341 4.909 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181103331 NFVDPORUCOQSNB-DVOMOZLQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2Br)CC1 2181107648 KJDKNFVUFOMKIQ-HUUCEWRRSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](O)C#Cc1ccccc1Br 2209250433 QZMNNUKEDXXECY-LJQANCHMSA-N 430.342 4.599 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@@H](O)CC#C[Si](C)(C)C 2229110393 RDROOWNGGCJUHT-ROUUACIJSA-N 440.454 4.517 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)C#Cc1ccccc1Br 2235728180 MCMOLDXFSMCMDP-IBGZPJMESA-N 426.310 4.736 30 10 IJEE COc1ccc(C#C[C@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2237751693 PYSZBHZLHBVPPT-IBGZPJMESA-N 432.314 4.890 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1I)c1ccc(Br)c(F)c1 2287144390 WIYYUXCIDAUYQY-LLVKDONJSA-N 444.041 4.683 30 10 IJEE Cc1cnc(OCc2cc(Br)ccc2Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2295163732 IYZXODHKCXORHE-UHFFFAOYSA-N 438.558 4.684 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2296219953 SZURVFKFELNGHK-YSIASYRMSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC(C(=O)C#Cc2cccc(Br)c2)CC1 2296225466 VNAQRMWPUMLCCL-UHFFFAOYSA-N 438.337 4.793 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(F)F 2296296832 RZLCZBBBKZESDH-SJORKVTESA-N 445.348 4.717 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1CC2(CCN2C(=O)OC(C)(C)C)C1 2296299440 VSTGPINNIKDUMX-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2296305383 SVYHQQNXYXBUCS-CMKODMSKSA-N 435.406 4.720 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2cccc3ccccc23)c1C 2321086169 XSJMSCVFAVBHSM-UHFFFAOYSA-N 429.549 4.970 30 10 IJEE CCCOc1ccc(C=NNc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)cc1OCC 2322586069 JMXRMEMXAYRUDW-UHFFFAOYSA-N 440.931 4.828 30 10 IJEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2323381031 BPIONVNWERNEGF-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1c[nH]c2ccccc12 2325552465 UQFQJJWBFHBBCU-UHFFFAOYSA-N 437.525 4.656 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325703313 BHVCPRJJRCIOEP-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(C(=O)OC)c2)cc1Cl 2326752263 MNTNONIJALJMDP-UHFFFAOYSA-N 444.944 4.600 30 10 IJEE CSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc(Br)c1 2327051232 WWAYKFMLJQHNDD-UHFFFAOYSA-N 445.386 4.965 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(O)c(O)c1 2327272586 XTHBAJKMNDLADM-UHFFFAOYSA-N 438.553 4.744 30 10 IJEE OCCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(F)cc1F 2327785514 PKGSLHGFFRFHHA-UHFFFAOYSA-N 438.503 4.657 30 10 IJEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccnc2)cc1 2329312189 PEQHENAEJYVPIH-UHFFFAOYSA-N 433.512 4.704 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccco1)Nc1ccccc1 2329524941 NWRMWQCUZRJJEM-UHFFFAOYSA-N 437.912 4.805 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 2330621470 OXVYAKVLPTUEIM-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccc(F)cc1)Nc1ccccc1 2330625514 VXVPXMLXSAFTFR-UHFFFAOYSA-N 431.496 4.697 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)c1 2331136479 JPRFNUFNECUVQR-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE COCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(Br)cc1 2331281707 HXQSAWUYXKTJQC-UHFFFAOYSA-N 449.349 4.543 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccc(F)cc1F 2331632288 SITSMMCKJSUVPP-UHFFFAOYSA-N 443.523 4.739 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)CCOC)c(OCC)c2)c1 2331684583 WCUVIJSEVPDSOX-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576152 DZEVRGHINRLKIA-HKUYNNGSSA-N 443.397 4.641 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585900 WCZNXHRQPKLZBK-VPHMPFFRSA-N 443.397 4.974 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339588640 LQQFNNMXCAMIBS-KQDNUWKFSA-N 443.397 4.928 30 10 IJEE Cc1cc(CN(C)Cc2ccc(Br)s2)ccc1B1OC(C)(C)C(C)(C)O1 2369727398 NOXIYLHONRLXQA-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccc(C(=O)O)cc1 16932127 YRLCRZKFUJOYOZ-LCUCDLPVSA-N 431.311 4.771 30 10 IJEE O=S(=O)(NN=Cc1cccc(OCc2ccc(F)cc2Cl)c1)c1ccc(F)cc1 17100800 GBRUSPFOTSGINP-UHFFFAOYSA-N 436.867 4.510 30 10 IJEE Cc1cccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)c1 21076895 WPXYRNRSHUKDMF-SSDVNMTOSA-N 449.367 4.987 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)cc1 21081131 PZEBLZDBIYEIMT-FSJBWODESA-N 442.976 4.932 30 10 IJEE COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)c1OC 21243917 QHBLLZBOPQBPSM-GHTZIAJQSA-N 449.547 4.743 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2ccc(F)cc2)c1C 32971562 FHVFHEKFQPOFKI-UHFFFAOYSA-N 427.911 4.710 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(OCc2ccccc2)c1 33482072 KBSPAVRTEOPSBR-JOCHJYFZSA-N 449.528 4.552 30 10 IJEE Cc1c(C(=O)c2ccc(OCC(C)C)cc2)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38622979 TWEBRHVUMBYFRT-SFHVURJKSA-N 430.504 4.609 30 10 IJEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCOC)C4)c2ccccc21 41650857 PHDCJOVEMUAVSV-QRVIBDJDSA-N 432.520 4.774 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2SCC)nnc1-c1cccc(OC)c1 59807764 UIYCOPUSBBTBDS-UHFFFAOYSA-N 440.594 4.983 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 59809098 PJJVBJRUQFECAL-SFHVURJKSA-N 443.576 4.815 30 10 IJEE CCCCCCCN1C(=O)/C(=C\c2c(NCCC)nc3ccccn3c2=O)SC1=S 100854908 VEPUGGWVOBMACR-BMRADRMJSA-N 444.626 4.688 30 10 IJEE COc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1 101577827 CXVTZFWEJPUKAX-JXDROGBKSA-N 431.517 4.860 30 10 IJEE CCCCCCOc1ccccc1C(=O)/C=N/NS(=O)(=O)c1ccc(OC(C)C)cc1 169906280 YXMOMOFWAGFKSH-JJIBRWJFSA-N 446.569 4.580 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966878 AKXHYQBPNUKBEE-QHCPKHFHSA-N 430.479 4.983 30 10 IJEE Cc1ccc(C2=C(N3CCc4ccccc4C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170007103 NKZINYCTBMUBNN-UHFFFAOYSA-N 433.511 4.518 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccc(OC)cc1 170116172 NECKDTWZTKHXJP-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)c1 170185484 YLEPEQFGYRFBCE-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccncc1 170202858 SWLXXLLFNKEYJJ-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F 170249586 JTYFDYGXGHDMBO-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1cccs1 170269957 JEAPNPDJGBBVSK-NRFANRHFSA-N 433.485 4.564 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(C)o2)c1 170298920 SBSDAOPWOGSPGX-NRFANRHFSA-N 437.423 4.527 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(N(C)C)cc2)c1 170337409 XSGYBUCBULPGAK-JOCHJYFZSA-N 432.476 4.527 30 10 IJEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170349002 ZJGUINRHBHEZIM-QFIPXVFZSA-N 428.444 4.721 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(OC)cc(OC)c2)cc1 170390319 ONNMITJBJXRGSL-QFIPXVFZSA-N 433.460 4.642 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(OC(C)=O)c2)cc1 170407977 OEOMRFDLKKMWSP-XMMPIXPASA-N 441.483 4.957 30 10 IJEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 170432199 JNOITPRDINTCOG-SFHVURJKSA-N 440.496 4.959 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(F)ccc2F)ccc1OC 170441859 PCLUEWNHPODKRH-QFIPXVFZSA-N 445.462 4.887 30 10 IJEE ON=C1C[C@H]2N[C@@H](c3ccccc3OCCOCCOc3ccccc32)[C@H]1c1ccccc1 254821984 VKKWQGOIAYICRL-ICTDUYRTSA-N 444.531 4.864 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H](CN2CCCCCC2)C1 303796885 WAUYQCJRFDYEQE-LEWJYISDSA-N 428.646 4.607 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccn(C2CCCC2)n1 432151197 QDLVPMCDIFUTRP-UHFFFAOYSA-N 435.341 4.798 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 476152819 PDDHXDHYOLXTJY-UHFFFAOYSA-N 443.565 4.502 30 10 IJEE CC(C)n1c([C@@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)nc2ccccc21 506495258 OPQWQOBMVQVCQN-IQGLISFBSA-N 438.572 4.585 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(OC)ccc(Br)c2[nH]1 519875040 LZMBWEZVSARFHE-UHFFFAOYSA-N 444.285 4.676 30 10 IJEE COc1ccc([C@@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606943 KZQLOQUFMDDDIJ-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 526806041 USIIXWVRNPPRNI-QRVIBDJDSA-N 439.541 4.975 30 10 IJEE C=CCN(C(=O)[C@H](C)n1cnc(C#N)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538402281 VFAPXZJZYCTJIV-KRWDZBQOSA-N 440.532 4.720 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 549264996 YPMAGPHXSRFLKY-CVEARBPZSA-N 449.368 4.676 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 555268686 NIKOEZDYVXYHHE-UHFFFAOYSA-N 440.979 4.508 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1 574492632 BCHOAHPXNMBOOC-GOSISDBHSA-N 441.491 4.501 30 10 IJEE COc1ccc(CCN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 586128056 VJYUMQXNVYOBOJ-UHFFFAOYSA-N 434.561 4.617 30 10 IJEE Cc1cccc(OCCCC[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 586346963 JLWFUFWLPFBXAT-BJLXPSRBSA-N 444.622 4.599 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)nnc1-c1cccnc1 623014738 DRHCSGMPUCLTKG-OAHLLOKOSA-N 447.520 4.594 30 10 IJEE COc1ccc(Oc2cc(Br)cc(C#N)c2)cc1I 712912639 BNKUAPAFNONVKC-UHFFFAOYSA-N 430.039 4.726 30 10 IJEE Cc1ccccc1[C@H](C#N)C(=O)c1ccc(I)c(Br)c1 721300181 AELLSHKXOMMIBB-ZDUSSCGKSA-N 440.078 4.852 30 10 IJEE C=CCn1c(C)cc(C(=O)COC(=O)c2csc(Nc3ccc(OC)cc3)n2)c1C 745386577 AJWAIYQVBYAOAN-UHFFFAOYSA-N 425.510 4.539 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(C2CC2)C(=S)N[C@H]1c1cnc(-c2ccncc2)s1 753389358 WIHZPPPWHUMRJX-NRFANRHFSA-N 446.601 4.907 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cncc(-c2cccc(C)c2)c1 768672930 FJJMXDXTKWJCDL-LJQANCHMSA-N 443.503 4.558 30 10 IJEE CC(=O)[C@H](Cc1cccc(Cl)c1F)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 768698819 SAIGFEAUQCWMKY-FQEVSTJZSA-N 438.842 4.895 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)N2[C@H]3CC[C@H]2c2ccccc23)c(C(=O)OCC)c1C 797637280 LDUOCHOCINDCLP-IRXDYDNUSA-N 440.521 5.000 30 10 IJEE COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C)(C#N)CC1 802376761 TXLBHXUTHFEKIK-UHFFFAOYSA-N 425.533 4.589 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)cc1OC 1125954387 VWGWDFPYXKEWTG-UKTHLTGXSA-N 426.476 4.850 30 10 IJEE C#CCN(C(=O)[C@H]1Cc2ccc(Cl)cc21)[C@H]1CCOc2ccc(Br)cc21 1126231427 PNZDKTJVHZPFLP-HKUYNNGSSA-N 430.729 4.728 30 10 IJEE C=CCC1(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)CCCC1 1128861938 GGKJNESQBBCVEG-QFIPXVFZSA-N 431.533 4.587 30 10 IJEE C#Cc1ccc([C@H](OC(=O)COc2cccc(NC(=O)c3ccco3)c2)C(F)(F)F)cc1 1128867433 VXANRRMPVFIHOF-NRFANRHFSA-N 443.377 4.739 30 10 IJEE C=CCC1(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CCCCC1 1128926657 RFJYMERZARJYSP-SDXDJHTJSA-N 432.586 4.812 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 1129588437 IIPPZSSTPKKHJF-GOSISDBHSA-N 432.314 4.824 30 10 IJEE C=CCC[C@H](C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[nH]1)c1ccccc1 1134978032 FSYOIZDNMGRRSW-HNNXBMFYSA-N 442.313 4.801 30 10 IJEE N#C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC12CCCC2 1135586441 ICVDWUKFABAJPI-OAQYLSRUSA-N 429.929 4.553 30 10 IJEE C=CCC[C@H](C(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1)c1ccccc1 1149052607 WKYPZXPVQUZMQU-QFIPXVFZSA-N 430.589 4.659 30 10 IJEE C#CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)[C@@H]1CCCc2ccccc21 1156937447 DUBGZUIDJYRWIX-LJQANCHMSA-N 439.437 4.750 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(Cl)c3ccccc3n2)CC1 1161256012 GDRGJWFSFFLCFI-OAQYLSRUSA-N 425.319 4.564 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1nc2ccccc2cc1[N+](=O)[O-] 1162867616 LLZYQBZCEWTDLZ-UHFFFAOYSA-N 433.493 4.959 30 10 IJEE N#Cc1cccc(NC(=O)CCN2CCCC[C@H]2Cc2ccccc2Br)c1 1170638118 GXLPBUGLIFXMRT-FQEVSTJZSA-N 426.358 4.747 30 10 IJEE C#CCN(CC(=O)N1CCC[C@@H]1Cc1cccc(Oc2ccccc2)c1)C(=O)OC(C)(C)C 1174685411 AKJPVZBVCBHNIJ-JOCHJYFZSA-N 448.563 4.883 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N1c2ccccc2CC[C@@H]1C 1189025448 SXLKKRJDRJENPW-IBGZPJMESA-N 448.592 4.812 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)Nc2cc(-c3cccc(Cl)c3Cl)[nH]n2)cc1 1214815530 SMBBLYWEEIFPLU-UHFFFAOYSA-N 430.295 4.943 30 10 IJEE C=CCN(C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H](C)COC 1221209727 RZPHZJSPPQZTED-MGPUTAFESA-N 435.337 4.910 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 1226706338 MPNXMGYRGYJSEM-VQTJNVASSA-N 428.374 4.514 30 10 IJEE N#Cc1ccc(CCNC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 1279004673 AAPPXNNZKCKJHG-UHFFFAOYSA-N 435.321 4.872 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CCC)C1 1286317261 NXSSFGYRACEKHT-LJQANCHMSA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@@H]2CCCO2)CC1 1286335728 DTAIXHLENPFVQD-QHCPKHFHSA-N 436.600 4.673 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC=C(COC)CC1 1286337887 XUHOYKYKUHAZMK-UHFFFAOYSA-N 433.581 4.573 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCc1csc(CC)n1 1286514818 AMTQOJUYWBWHPN-JOCHJYFZSA-N 425.989 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)Sc1ccccc1 1286573641 NJFZRAFPXLQGHD-QGZVFWFLSA-N 439.585 4.589 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C\c1ccccc1 1286582131 RPQOKVRJIJQRDM-WQLSENKSSA-N 443.599 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1286583164 JWRRRCMDGLYSHO-XXBNENTESA-N 430.568 4.850 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(C)C)CC1 1286593254 LAQRPCPPSNLXAL-HXUWFJFHSA-N 431.625 4.841 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1286594537 AKVSOZIWNWZNHQ-UHFFFAOYSA-N 436.629 4.644 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)C(C)(C)C1 1286613402 ZLAZZQBWCQMDHW-HXUWFJFHSA-N 426.605 4.885 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286677848 KZOPCLKHTODRQN-CBPXPLCBSA-N 442.579 4.546 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(OC2CCCC2)nc1 1286730524 IFAKYYHPODDKTF-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](CC)C2)cc1 1286797642 YFNIITNSKRJCMI-IBGZPJMESA-N 437.613 4.873 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCC(F)(F)F 1286825073 FZDUAIJYZQEEJX-UHFFFAOYSA-N 436.507 4.643 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1291876747 HRAZBJNNPAFLAD-HSZRJFAPSA-N 436.552 4.744 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1297432614 NFVQSNAOBSMTES-AWEZNQCLSA-N 439.364 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO[C@@H]1C(C)C 1300293010 NLGQMQNVIANNDW-ABSDTBQOSA-N 445.405 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(C)C 1300324644 IUOJWGZAAZHTJT-LPHOPBHVSA-N 444.004 4.578 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1cnc(C)s1 1300775854 BGIXHZXIUMFOCK-UHFFFAOYSA-N 443.667 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[C@H]1CCOC1 1300797516 CUXVFMWWAKYYFR-HFZDXXHNSA-N 436.600 4.789 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC[C@H](C)c1ccc(OC)cc1 1300801209 JQCAXFPZXYOODL-AFMDSPMNSA-N 429.568 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1300876913 SSPACFSLHSNNDA-BNDYYXHWSA-N 430.618 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1300907793 RBUOLQPIFDIVFK-NHCUHLMSSA-N 434.632 4.976 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CC=CCC1 1300950354 BBBCOUVKABAEKC-UXHICEINSA-N 429.609 4.761 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1300970630 YVPLLKQAHMRLSA-PLACYPQZSA-N 430.637 4.947 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1300972670 OMGIFRKBGQQXIG-LQWHRVPQSA-N 448.995 4.525 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1301127322 IZUPHDNOWZYSOD-UHFFFAOYSA-N 436.526 4.795 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1301127401 LVRADWMYLPWPAV-OAQYLSRUSA-N 425.596 4.531 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1301226517 GAODYUKBUTUQNS-CQGGRAHPSA-N 428.627 4.831 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CCN(C)CC1 1301279023 UGXFLTWYTUNUFL-QGZVFWFLSA-N 445.702 4.581 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1cc(F)cc(F)c1)C1CC1 1301316618 NMAPFAXYTJETJO-UHFFFAOYSA-N 448.315 4.711 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3cccc(Br)c3)CCCCC2)s1 1309603762 FANQXUXXEAZXFW-UHFFFAOYSA-N 425.373 4.520 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(-c3cc(C)ccc3F)[nH]n2)cc1 1310195927 HPJLKEKXCUXUCJ-UHFFFAOYSA-N 433.487 4.982 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CC1 1310555552 BECKGOJGAGVAJQ-UHFFFAOYSA-N 427.913 4.734 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1OC 1310594366 GNIWKCWGXXMZRS-UHFFFAOYSA-N 438.253 4.725 30 10 IJEE C#CCC[C@H](O)CNC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1311347736 GJKVWMFNKZUNLZ-LPHOPBHVSA-N 444.362 4.680 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2Cc2ccccc2)C1 1321261385 ARQQEAGWJGPBDX-NRFANRHFSA-N 425.536 4.631 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2ccc(C#N)c(Cl)c2)(c2ccccc2)C1 1348338315 HJKOEGYFENLPON-HSZRJFAPSA-N 425.916 4.729 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(CCN3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1351169801 PVZUFICCWQIEBD-SANMLTNESA-N 441.616 4.999 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Cl)ccc1OC(F)F 1352520960 MMUMPKNEMMXANJ-UHFFFAOYSA-N 426.799 4.684 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C\Sc2ccccc2)c(C(=O)OCC)c1C 1352793650 SNBNXTXOQAEGLB-QBFSEMIESA-N 431.535 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCn2ccnc21 1358896993 QLQQWFNTOFVHFJ-NHCUHLMSSA-N 446.599 4.521 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1358912826 ZHRGJGVDAIYXRS-LJQANCHMSA-N 428.602 4.690 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CCC(F)(F)CC1 1358968877 BESIPQXQGHCNSH-HXUWFJFHSA-N 440.538 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](CC)C1 1359092744 FSNJYATWKSZLCK-KPFFTGBYSA-N 432.515 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)C1CCCCC1 1359114444 LNOIKDYTBZSTFA-RUZDIDTESA-N 426.605 4.611 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359135713 MFZFECHMIADWMJ-BGYRXZFFSA-N 448.558 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1359189594 OZLHLVREAPQGBR-OAQYLSRUSA-N 442.510 4.920 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(C)C)CC1 1359225642 GCFBMXGQGZJRMX-UHFFFAOYSA-N 434.588 4.596 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1=CCCCC1)C1CC1 1359245908 JFCPSVGPDUYUEM-UHFFFAOYSA-N 439.991 4.907 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1359262926 JXXMJOUWKYFCOP-OALUTQOASA-N 443.661 4.688 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CC[C@@](C)(CC)O1 1359279791 STIYKBLZWFCCHV-VGOFRKELSA-N 436.959 4.724 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359283430 PUASTCJMJQWABA-WIYYLYMNSA-N 428.577 4.787 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SCC)C1 1359339422 FGBRHFUCOIYPGG-HXUWFJFHSA-N 427.643 4.848 30 10 IJEE CC(C)C(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC#N 1360475432 APTSABXBJLSELQ-SFHVURJKSA-N 446.640 4.813 30 10 IJEE C=CCN(CCc1ccco1)C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 1435709644 QJGXDXPJCBZDKG-UHFFFAOYSA-N 447.560 4.674 30 10 IJEE COC(=O)c1ccc(Br)cc1NC(=O)c1sc2ccc(C#N)cc2c1C 1436362887 GZCOLBNFHDMFDY-UHFFFAOYSA-N 429.295 4.883 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccc(OCC)cc1 1441344757 WZTVPYDUCNQBJW-DHIUTWEWSA-N 436.552 4.598 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H](O)c2ccccn2)ccc1C 1448459105 LMXVCMDFDHJDAV-RBBKRZOGSA-N 439.556 4.660 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(F)cc2C)nnc1-c1ccc(Cl)cc1 1457572148 CKJXLHFYWRXARF-UHFFFAOYSA-N 444.963 4.683 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCCc3ccc(-n4nc(C)cc4C)cc3)c2c1 1458103764 FVOYDJWOWTVCRK-UHFFFAOYSA-N 427.508 4.581 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)cc1 1462489639 SBNHCJVWWVDROX-UHFFFAOYSA-N 440.543 4.630 30 10 IJEE C=C[C@H](C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1)c1ccccc1 1464088197 NVFOAQKAGJLJAN-SFHVURJKSA-N 443.425 4.976 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 1464920446 QHHNOKDIGVBTOI-MSOLQXFVSA-N 432.952 4.571 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)[C@@H](C#N)C1 1465696351 DLHOKCZIFADERX-KRWDZBQOSA-N 443.588 4.572 30 10 IJEE C/C(=C\C(=O)N(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F)C1CC1 1471800592 MPVJYSXFIHTFLX-CMDGGOBGSA-N 449.285 4.515 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCCC2)c(Cl)c1 1474848964 DBQKAHWZOCHMLQ-UHFFFAOYSA-N 439.762 4.722 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1475489785 OBXREAZOFYPRJH-XJKSGUPXSA-N 441.416 4.986 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1507599797 UGKODZKQNQFINU-SFHVURJKSA-N 446.567 4.864 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C/C=C\c1ccccc1 1507645081 SVROJUUJFVDCEI-DBBZSVRUSA-N 426.589 4.918 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1csc(C)c1 1507663875 LLVNLHDAVHONMB-UHFFFAOYSA-N 445.411 4.650 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCC1(C)C 1507668512 GRVGMPBTWYAMEN-GOSISDBHSA-N 439.401 4.997 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC1CCC(F)(F)CC1 1507703228 SVUIVSOVAWVNKZ-HXUWFJFHSA-N 432.490 4.734 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1507704230 UIFQGZAXQZRXTG-NRFANRHFSA-N 442.991 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(OC(F)F)c(F)c1 1507770868 RLFFFATYVUGXEP-HSZRJFAPSA-N 432.490 4.792 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507797657 PWVHKCYCFGEFKG-WQDJSCAQSA-N 432.515 4.620 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccco1 1507810985 MZDGCYZKYJVCFV-GBXCKJPGSA-N 436.556 4.630 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@H](SC)C1 1507839377 CXKBDUCVCLTKNJ-FQEVSTJZSA-N 437.613 4.808 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)[C@H]1C)c1ccccc1 1507927866 FSWZFGVPHXHBFA-NFBKMPQASA-N 431.584 4.628 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1507947747 JTFOZJBVDBTLBD-FPOVZHCZSA-N 426.561 4.845 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C)C1 1507966652 VKKWAPRXZCCMHH-FQEVSTJZSA-N 426.605 4.984 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507972074 SIQNWNHPIDCCTH-FPOVZHCZSA-N 439.604 4.611 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCCC1(C)C 1508022691 YFBUCNSCMNSJKV-QHCPKHFHSA-N 430.980 4.630 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC[C@H](C)C2)C1 1508118076 WHJPSBZYGHNMSC-VNTMZGSJSA-N 428.552 4.775 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@@H](C)C2)CCCCC1 1517947478 GMKKKVQMUIHZHF-BGYRXZFFSA-N 437.588 4.560 30 10 IJEE C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 1519942889 RYWFKWPKCNYTPU-VBKZILBWSA-N 433.321 4.987 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)C(F)(F)F)cc1 1521337487 PMDKRZXKLZAEDT-RTWAWAEBSA-N 429.438 4.675 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1524344493 AGAGCCABSMCYSH-UHFFFAOYSA-N 431.488 4.547 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)c1ccccc1 1526452941 QEZUYRGDDJZAQV-XZOQPEGZSA-N 438.568 4.955 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(COC)c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1527833381 UMVWQKNIGKKJQV-NRFANRHFSA-N 440.462 4.583 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCc2cnn(C)c2C1)c1ccc(C)c(C)c1 1531212851 GLCOPCSVRZUWIK-OAQYLSRUSA-N 429.564 4.940 30 10 IJEE C#CCCN(CCOC)C(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 1533858947 HVTAVHWZSBUPND-SILNSSARSA-N 434.561 4.734 30 10 IJEE CC(C)(C)c1ccc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C(F)(F)F)cc1 1534689407 GGBVRDUBERTZKT-UWJYYQICSA-N 443.469 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CC[C@@H](OCC)C(C)C 1539552484 RBLVGWZVOBAHMG-ZEQKJWHPSA-N 433.600 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1539619694 HEKFOBQMSSTRIG-IRLDBZIGSA-N 433.581 4.538 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(CN(CC)CC)c2)CC1 1539882258 VAUFLZDUTKGJDH-UHFFFAOYSA-N 430.600 4.633 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1539902378 GCVAAYWAGMELQN-GOSISDBHSA-N 441.595 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1539913105 YXGYMCFJSMKPDM-UHFFFAOYSA-N 447.509 4.932 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC2CCCCC2)CC1 1539916808 OEBYXVJJZKWGQC-QFIPXVFZSA-N 429.653 4.824 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)C1 1540019897 FQMUKEVDFOQAQL-AZUAARDMSA-N 430.618 4.569 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C#N)o1)C1CC1 1540098401 BCTSFYWBMBTLLA-UHFFFAOYSA-N 442.292 4.514 30 10 IJEE Cc1cccc(COc2cccc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c2)c1 1540470774 DKXQIFMJHXAUSJ-AREMUKBSSA-N 443.522 4.736 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1Cc1cccc(NC(=O)C2CCC2)c1 1541169802 ANBNCNFIVFETDW-UHFFFAOYSA-N 448.615 4.784 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(OC(F)F)ccc21 1542295897 JTTJQIROCSQEHA-OAHLLOKOSA-N 430.879 4.603 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c1 1542406155 ODZUCGCLSPRYRF-IBGZPJMESA-N 437.586 4.949 30 10 IJEE C=CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCN(CC)C3 1559346017 TWHJFJJGRWAOTO-UHFFFAOYSA-N 427.595 4.502 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c(C#N)cn1CC 1562960165 DNKUWELDGSONEC-HXUWFJFHSA-N 434.471 4.607 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(C)c1Br)c1ccc(Br)cc1 1564571927 BTPKXXRDOQFCKK-INIZCTEOSA-N 436.147 4.694 30 10 IJEE C=CCCCCCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1564727460 SGKKPCCZVMJGSU-IAGOWNOFSA-N 435.531 4.858 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(C)CC1 1566203481 YDCNYPJLLWNTMO-JOCHJYFZSA-N 438.955 4.953 30 10 IJEE N#C[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1cccc(Br)c1 1583892727 JUQRKTNEJIUIEL-GOSISDBHSA-N 442.700 4.865 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)cc1 1584602336 VANSVLISFQVWDB-IZZNHLLZSA-N 428.532 4.605 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC1(COC)CCCC1 1587562665 RUFPGTFICRNYSF-MOPGFXCFSA-N 428.552 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)CCCC 1587569552 YXEOCZFLCRMJPX-SFHVURJKSA-N 436.629 4.567 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc2cc(Cl)ccc2s1 1587960608 XGIWFFBGVBTMFN-HNNXBMFYSA-N 437.993 4.858 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCc1csc(C(C)(C)C)n1 1588117585 LQUJOIARRJENFE-UHFFFAOYSA-N 438.000 4.668 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2C#N)[C@H](C)C1 1588270543 GFIDOMZTQZRYFN-UONOGXRCSA-N 445.610 4.635 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H]1C 1589006299 DBCSFIZUNCKFLQ-CYBMUJFWSA-N 439.810 4.716 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1589059381 FFCCUZUSXGXBNY-UHFFFAOYSA-N 440.588 4.541 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1589395137 SHTBEYLOVQJQCS-UHFFFAOYSA-N 432.322 4.531 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1593611140 NKLJTNJHHABKPN-MRXNPFEDSA-N 431.968 4.620 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1593818541 UZLLPRLRSULOSE-KSFYIVLOSA-N 439.991 4.966 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1594247016 DYACSYHLJYCMEW-WOJBJXKFSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1594448358 COYBUMSSUVTBDO-UHFFFAOYSA-N 437.510 4.674 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1594498103 QFTPVEPWQSAXAS-LJQANCHMSA-N 442.604 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1cnc(C)s1 1594503956 BJJXWXIPZVOMDZ-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1594559137 FQEAZAZIBVGMFT-OALUTQOASA-N 434.588 4.794 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc(F)cc(C)c2C1 1594566274 CZRAACQSFCHYJA-UHFFFAOYSA-N 427.568 4.563 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1(O)CCCCCC1 1595149995 ZTJTUEDKMOLQKJ-UHFFFAOYSA-N 425.602 4.623 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1595219459 VAJWTFGLPOWJIT-LJQANCHMSA-N 431.625 4.692 30 10 IJEE C=CCC1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CCCC1 1597329507 CVBIARQSQJKABM-UHFFFAOYSA-N 434.945 4.921 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(Cl)s2)C1 1611768715 BEIFDQABDSBHAW-OAQYLSRUSA-N 429.952 4.901 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)n1 1612360503 GTGNWDXWDLWDKV-MRXNPFEDSA-N 438.601 4.780 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1616912618 SUZBRMCZCCNPND-CZAAIQMYSA-N 448.460 4.549 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1cn(C)c2cc(Cl)ccc12 1620903506 XEKULEXZHFWRFY-UHFFFAOYSA-N 431.761 4.939 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(C)C 1628517006 HMPQJEOIDBSGER-LTIDMASMSA-N 443.476 4.894 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1629019128 HBUKQRGLGYNOJS-UHFFFAOYSA-N 448.535 4.974 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1629242525 HSPBQHLJHSFJLY-BTYIYWSLSA-N 434.508 4.630 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)Cc2c(C)nc3sccn23)s1 1630412490 AVECURKWJOQLEE-UHFFFAOYSA-N 427.020 4.515 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(C(F)(F)F)cc1 1633470887 IRBFHKKJYBVUQW-WSTZPKSXSA-N 436.478 4.666 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H](C)CCc2ccc(I)cc2)CC1 1634922779 JMMNXMACIYITSF-HNNXBMFYSA-N 426.342 4.658 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1635195514 SYFVLDHHSHWOIZ-UHFFFAOYSA-N 436.961 4.569 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)C1 1640066517 RGPGFCGLHLZNBC-OAHLLOKOSA-N 431.330 4.747 30 10 IJEE CCc1csc(CC2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)n1 1643619490 FSSPDYHAVOLLDP-KRWDZBQOSA-N 442.654 4.850 30 10 IJEE C=CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CCCC1 1645472171 ORLOXZKUIGRCOR-UHFFFAOYSA-N 436.936 4.899 30 10 IJEE C#CCOCSc1nnc(COc2ccc(OCC)cc2)n1-c1ccc(Cl)cc1 1651555778 QZESIYRJCXFYNU-UHFFFAOYSA-N 429.929 4.598 30 10 IJEE C#CCN(C(=O)CCCCCc1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973692 TUIZYEPBJQBQBX-UHFFFAOYSA-N 430.564 4.790 30 10 IJEE C=CCn1c(SCc2ncc(C#N)cn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1652411530 BUJJSSHSNCTOOL-UHFFFAOYSA-N 449.536 4.713 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 1652464732 HMKBCWDUNJPPNK-INIZCTEOSA-N 434.443 4.551 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 1653894970 HASYSSHECBMJIS-CYFREDJKSA-N 435.593 4.873 30 10 IJEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(Cc2ccc(Br)cc2C#N)[C@@H]1C 1654876341 DFAGDQCOMYHYOX-CLCXKQKWSA-N 436.394 4.834 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCc1ccc(-n2cccn2)cc1 1656918088 ACWZWORVXPZAAY-UHFFFAOYSA-N 433.103 4.848 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CNC(C)(C)C3CCOCC3)c2C#N)C1 1658445556 AAYNDFCMEYQIDK-KRWDZBQOSA-N 431.646 4.894 30 10 IJEE CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N(CCOC)Cc1ccc(C#N)cc1 1669592769 HPJFVPJGMLKCIN-HXUWFJFHSA-N 433.474 4.756 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 1671187708 YIZKMQVEGZMCMG-UHFFFAOYSA-N 443.588 4.875 30 10 IJEE C[C@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccc(OC(F)(F)F)c1 1671316522 GXAUMTLYYPXIAG-VIFPVBQESA-N 447.328 4.662 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(CC)CC)c1ccc(Br)cc1 1674170067 YOJIQWKBLZVGLJ-RTBURBONSA-N 434.403 4.567 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1ccccc1 1674281630 ULTQSXACYBQWIM-HXUWFJFHSA-N 431.533 4.585 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C 1677265161 YJLKOTJWNZOTSW-UHFFFAOYSA-N 435.613 4.587 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1678916831 JAUMUQCZSJFANU-SFHVURJKSA-N 448.350 4.553 30 10 IJEE COc1cc(NC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c(F)cc1C#N 1679427899 DHQAXFQZLYLHGC-XMMPIXPASA-N 431.467 4.942 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C)c1ccc(Cl)cc1F 1683517230 SZSRIUYENUQDDO-ZUOKHONESA-N 438.305 4.866 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1683680531 DTMJNLMCRNZMAL-RTBURBONSA-N 433.733 4.640 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br 1684425883 QSHUAHQEVVXXQJ-SFHVURJKSA-N 449.414 4.959 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CCCC1 1687039612 MPKYWGOOLNKJNL-QFIPXVFZSA-N 427.589 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC[C@@H](OCC)C(C)C 1689842817 JNDVHZAXKUTSNP-QFBILLFUSA-N 433.394 4.617 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1689913720 UIEOVCFJWQWXOR-GHTZIAJQSA-N 428.552 4.755 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690091360 QRHKVGMOHUXJBW-CEQLMSFQSA-N 426.580 4.849 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1690177199 MYKVEGXJTYQQCC-FQEVSTJZSA-N 440.613 4.950 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CCC 1690238323 HXDIDSUSRPHZFI-NOXFTYBFSA-N 434.588 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccoc1C 1690250994 NURYXJBDKGMDIQ-URXFXBBRSA-N 436.556 4.685 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1690304531 GDMQSUQNVNXKEB-UXHICEINSA-N 445.007 4.834 30 10 IJEE C=C(Cl)Cn1c(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1690358666 HQCGMDZMMZTMCL-NVXWUHKLSA-N 440.897 4.657 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1690455224 FPDUYXAOHSDLBY-UHFFFAOYSA-N 435.572 4.676 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccco1 1690500344 RYKZCLYCFGLNDS-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CC=C(C(F)(F)F)CC1 1690503955 SZGCXLPKTGCROS-UHFFFAOYSA-N 443.473 4.785 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SCC)C1 1690504037 WKKAFRPLBPHUAF-OAQYLSRUSA-N 425.602 4.521 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@](C)(O)c1cccs1 1690558374 NFKCGLZZSLDJBG-UUOWRZLLSA-N 435.597 4.825 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1Cc1ccncc1Cl 1690572006 PTJUJRVIXJJZNT-UHFFFAOYSA-N 448.933 4.692 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@H](c1ccsc1)N(CC)CC 1705486588 HWWCQLGEGOAPNA-UTKZUKDTSA-N 425.577 4.687 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1705543745 QWXJPTORAGIXIA-UHFFFAOYSA-N 430.980 4.708 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCCC 1705591389 BZFFXDCSXRJZMQ-QHCPKHFHSA-N 438.019 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)CN1CCCCC1 1705592453 JUMKFMIBPJZEOW-HSZRJFAPSA-N 445.655 4.828 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@H](C)N1CCCCC1 1705604459 MOEYFCHMHJHXBA-VQTJNVASSA-N 444.023 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCC(C)CC1 1705675638 WBXROEWATRRNKA-RUZDIDTESA-N 440.035 4.636 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCCCC1 1705688217 PHVZORVKUWSHTG-UHFFFAOYSA-N 425.321 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccsc1 1705704196 ZKSZBPINLWXHGO-UGKGYDQZSA-N 426.561 4.687 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC1CC(F)C1 1705710644 ZCHAEFASIQUCIY-GTJZEUBQSA-N 442.579 4.639 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1705723092 ZCGIFSUYWRHOLI-UHFFFAOYSA-N 428.993 4.575 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CN(C)C(C)C)CC1 1705727124 HMBBQLOBJKUOKZ-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1705747017 CKOJAFAPJRXNPT-JXFKEZNVSA-N 434.943 4.705 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCOC(C)(C)[C@@H]1C 1705785937 BSOCSGOQMIARFE-SFHVURJKSA-N 434.588 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](Oc2ccccn2)C1 1705790232 NSGWAPRQYOHFME-IBGZPJMESA-N 433.556 4.609 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccccc2)C1 1705793773 JJFHQIIRQFGOFO-OAQYLSRUSA-N 437.613 4.814 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CCC(C)CC1 1705848228 HHYWLRVEJUZPNX-NRFANRHFSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCC1(C)C 1705859355 PODMYAMYPZJXJD-NVQXNPDNSA-N 438.616 4.949 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CC[C@H]1CCOC1 1705878971 IKWICOPINQAHRS-SFHVURJKSA-N 426.948 4.853 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](OCC)C1 1705940612 KHUFPPVJGVDBPY-IBGZPJMESA-N 437.613 4.726 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1705945915 VGZCNKKZOWFXNN-GOSISDBHSA-N 430.622 4.745 30 10 IJEE CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)CCO1 1706124170 HUFKFWFLMITZDP-PMACEKPBSA-N 443.542 4.894 30 10 IJEE Cc1cccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 1707611519 FFEHYOJNJTUXHW-IBGZPJMESA-N 440.473 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCN(CCC)C1 1722281900 WAXJYOPJWPKFTH-UYAOXDASSA-N 448.640 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1722304489 YGVQNZQWVQNYKV-SFHVURJKSA-N 430.980 4.708 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@]1(C)C#C 1722327880 KHBJEFBNEATOAQ-HXUWFJFHSA-N 431.765 4.767 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCCN1CCC[C@H](C)C1 1722343940 FUOHGTSUCYBIHU-REWPJTCUSA-N 437.632 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCOCC(F)(F)C(F)F 1722469501 FWJYEAKMWIOMGK-LJQANCHMSA-N 444.860 4.508 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=C(C)CC1 1722481462 ZSIZMHGVXSSYFL-KRWDZBQOSA-N 447.377 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)CC1CCC1 1722496947 PGLKTYHYXMNFRA-REWPJTCUSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccc(F)cc1 1722502367 IJKDMFXLFJHYHM-YKSBVNFPSA-N 442.579 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCC(=O)Nc1cccc(Cl)c1C 1722516855 GRZMECBDGURKLY-LJQANCHMSA-N 431.968 4.523 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cscc2C)CC1 1722572217 MPSUOUFBTDJUNN-IZAXUBKRSA-N 443.617 4.623 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 1722599743 IWKQVGKZTWTBJV-IBGZPJMESA-N 429.584 4.834 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC(F)(F)C1 1722678680 VGESCAGZJOMSJD-IBGZPJMESA-N 429.515 4.671 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(COC(C)(C)C)c2)C1 1722710342 HHOAJHSQRXFUHB-KNQAVFIVSA-N 426.605 4.936 30 10 IJEE C=CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)[C@@H](F)C1 1722733686 IGTIXZXXEZZXRT-XLIONFOSSA-N 442.560 4.831 30 10 IJEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1)OC 1727251683 BKUMUHWOJLKZMF-HXUWFJFHSA-N 431.496 4.635 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nc(C)c(C)s1 1740539869 GBCSXCIGIIRQLL-CYBMUJFWSA-N 444.402 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCN(C)[C@@H](C)CC)CC1 1740837088 GBHDXNGVQGFGNQ-IBGZPJMESA-N 434.588 4.733 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC(C)CC2)CC1 1740840257 YLFWIPBRAGJQSP-UHFFFAOYSA-N 443.586 4.672 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C)nc2)C1 1740972771 MRRFZIXHCGCNIE-FYYLOGMGSA-N 447.583 4.568 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1740999993 RIKSEKSZNAJITK-KRWDZBQOSA-N 441.988 4.570 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCC 1741003353 SJSKWWFCBWISBZ-GOSISDBHSA-N 437.654 4.548 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1746077179 DEWAUTQZCLOYNN-JYFHCDHNSA-N 443.599 4.553 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1748702723 BRJUUQBGTOUTRH-HXUWFJFHSA-N 444.526 4.603 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(CC2CCCCC2)CC1 1748724534 DNZYGPOXVGCHNH-UHFFFAOYSA-N 433.644 4.569 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC(C)CC1 1748908241 WJNXVXNNSZHKEK-FYYLOGMGSA-N 437.632 4.615 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCS[C@H](C(C)C)C1 1749123563 GABGGOSJMBQZDX-BVSLBCMMSA-N 442.629 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C)s1 1749132776 CWIBPJLFPBAZTQ-NQIIRXRSSA-N 428.627 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCN(C)Cc1ccc(F)cc1 1749148786 GDXMKPJZYWYGPC-UHFFFAOYSA-N 442.970 4.667 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1749357291 LNXWDKYJFQLORR-OAQYLSRUSA-N 429.572 4.666 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1749413227 SKROADLSXLHXLE-APWZRJJASA-N 443.548 4.558 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC(OC(C)(C)C)CC1 1749458165 WBVZCLKIJWTNGO-UHFFFAOYSA-N 426.605 4.554 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1=CCCCC1 1749487583 FFJULFZHBAFIKH-UHFFFAOYSA-N 429.609 4.905 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccsc1)C1CC1 1749528466 QRYRLYVCPTYVLF-HDICACEKSA-N 443.617 4.508 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CCCC(C)C 1749547261 MJGOJKNRQJXANU-UHFFFAOYSA-N 439.535 4.774 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CC(F)(F)CO1 1749552983 MSWFQRDXAVHGTQ-MRXNPFEDSA-N 436.553 4.609 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749579893 YKCFSMVHEYHRDZ-AMGIVPHBSA-N 446.643 4.970 30 10 IJEE C=CCOc1ccccc1Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(C)(C)C 1749688996 CEYYDLHDNGPGKF-GOSISDBHSA-N 428.487 4.709 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1750792628 CRJUVTPYMUWKGY-UHFFFAOYSA-N 448.615 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCCCCC1 1760122379 KOXXFZICEVWRJA-FQEVSTJZSA-N 438.616 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1c(C)coc1C 1760209634 FTWGYJORFVXPRE-JOCHJYFZSA-N 430.552 4.756 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCCSC1 1760243287 DZKAPQRIVLBJCK-NRFANRHFSA-N 426.605 4.933 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSC(C)(C)C1 1760276951 USYHWEMZQFUVBJ-UHFFFAOYSA-N 441.453 4.950 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1cccc(Br)n1 1760338293 HXJQECWIOFNYMD-UHFFFAOYSA-N 444.352 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccsc1 1760339980 DQMORZHIUPENOP-SFHVURJKSA-N 431.606 4.862 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCCc2cccc(C)n2)CC1 1760393186 LSOBQJQECACGLI-UHFFFAOYSA-N 431.584 4.912 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1760409677 DBDINEMQCSKTQA-UHFFFAOYSA-N 445.611 4.764 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cn2cccn2)CC1 1760430341 GTNPBTLQTLHBMJ-FGZHOGPDSA-N 440.636 4.666 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1c(CC)noc1C 1760457892 LAKZCFOFVRVBRY-UHFFFAOYSA-N 430.350 4.545 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@H](OCCOCC)C1 1760507750 CWAVXDGYQBXECL-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2N2CCCCC2)C1 1760543679 RGBWUYGYIWLBIK-JOCHJYFZSA-N 437.632 4.687 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(Oc2ccccc2)nc1 1761023301 CQBVMRVMQYNSLJ-RUZDIDTESA-N 430.556 4.842 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1761077705 GOOJXCMLOBCULX-IFMALSPDSA-N 444.023 4.840 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(COCC(F)(F)F)cc1 1761361082 AEQCFKTUXKDZCX-QGZVFWFLSA-N 449.521 4.876 30 10 IJEE CSC1(Cn2c(-c3ccc(COc4ccccc4)o3)nnc2N(C)C[C@H](C)C#N)CC1 1771409340 GQTOATXICJEWHM-QGZVFWFLSA-N 437.569 4.609 30 10 IJEE O=C(O)c1ccc(N=C2S[C@H](Cc3ccccc3)C(=O)N2CCc2ccccc2)cc1 1772728161 QIFOUFDXQGHKNU-JOCHJYFZSA-N 430.529 4.802 30 10 IJEE COc1cc(/C=C2/SC(=Nc3ccccn3)N(c3ccccc3)C2=O)cc(OC)c1OC 1772731572 NUFROFIUYZBMEL-VDCIBEPTSA-N 447.516 4.916 30 10 IJEE N#Cc1ccccc1NC(=O)c1nn(-c2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)c1Cl 1859414461 IXPBYYSKEKQEDC-UHFFFAOYSA-N 444.838 4.620 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2c(C)c(CC)nc3ccc(F)cc23)c(C#N)c1C 1859643556 KRLDPKWNUFTASU-UHFFFAOYSA-N 425.485 4.915 30 10 IJEE N#Cc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1 1860914448 NYCBPHZMQRNJNV-RUZDIDTESA-N 447.498 4.501 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 1862387297 HGPFJYPAEKIOFJ-XMMPIXPASA-N 443.547 4.894 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(O)c2)cc1 1862390091 VOFLSNMRWKOMGY-XMMPIXPASA-N 442.515 4.908 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(F)cccc1Cl 1862736936 BMXSONPORYSGJG-ZMZPIMSZSA-N 432.835 4.764 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862759273 NLZNIQQIPMHAGL-KRWDZBQOSA-N 434.370 4.600 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862956226 SZGVKEGWZVCNGA-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CC(C)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863366688 UBZJCTUVVAXEME-UHFFFAOYSA-N 437.499 4.738 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc(C(C)(C)C)cc1 1865128987 PRUXMKJFFGMBTB-OAQYLSRUSA-N 448.611 4.658 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccccc2CC#N)sc(C(=O)Nc2ccccc2)c1C 1866215026 XARLGJMFJPFOPO-UHFFFAOYSA-N 447.516 4.804 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868268179 CNCVDBAAPQYPHO-JOCHJYFZSA-N 444.970 4.727 30 10 IJEE CCCCCCCOc1cn(CCOCCO)c(CSCc2ccccc2)cc1=O 1870259709 FCPDSANTYWKKQL-UHFFFAOYSA-N 433.614 4.640 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(OC)c(F)c2)cn1CCC(C)C 1870384543 VHSPRWFVYDCLED-UHFFFAOYSA-N 428.548 4.795 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(Cl)cc2)cn1CCCC 1870456068 DTYGUOXOOUWDCI-UHFFFAOYSA-N 430.976 4.934 30 10 IJEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870810563 IPODUWBIJRJASW-UHFFFAOYSA-N 432.568 4.623 30 10 IJEE CCOC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871345785 NOYYWYYCDIANRS-UUYOSTAYSA-N 447.512 4.893 30 10 IJEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871388713 JSGJLYIYNGAUIC-QRVIBDJDSA-N 443.411 4.995 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O 1871433611 NETFWRPCBQQUML-CVHFWEDTSA-N 440.492 4.739 30 10 IJEE CCCCCCCCCCNC(=O)Cc1nonc1OCC(=O)Nc1ccc(C)c(C)c1 1872648069 LEIDXQPYMDYZFT-UHFFFAOYSA-N 444.576 4.503 30 10 IJEE CC(=O)Oc1cccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)c1 1872763846 WZSSBUNPZLOXHY-KRWDZBQOSA-N 441.306 4.988 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872767363 XORZXDICWLHSLK-MRXNPFEDSA-N 430.316 4.723 30 10 IJEE CC[C@H](C)[C@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872768164 LIHDUVSWCMWQEA-PAXLWEDBSA-N 443.528 4.697 30 10 IJEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873594328 QJYIETOLTNEXKZ-FQEVSTJZSA-N 431.584 4.606 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OC)c1 1874231892 HNUKZIZDHSSUDK-PCLIKHOPSA-N 432.549 4.925 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccco1 1874296141 MEDADJGVBLSVNJ-YDZHTSKRSA-N 437.456 4.684 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cc(OC)ccc1OC 1874318875 NNKGXOZTXCRBBR-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874352001 MRBYJBHUXZQQMM-XIEYBQDHSA-N 435.597 4.884 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)cc1 1874422330 GSKVSGZZEPUWIA-OEAKJJBVSA-N 434.546 4.968 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874431177 FUXZHOKTRSNOQF-VULFUBBASA-N 435.597 4.695 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)c1 1874447958 PRRURYQYQJVJDW-JHXRPTDYSA-N 438.553 4.630 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2O)c1 1874451585 GKUBFAAOYNJRJV-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCc2ccc(C)c(C)c2)cc(Cl)c1OC 1874564968 ZNZUIGMSKAGPIW-FSJBWODESA-N 430.961 4.522 30 10 IJEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccc1 1874625210 RLDJMTPFJQDZMG-SDSFWRRZSA-N 448.450 4.886 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1OC 1875099307 AYSBNJXYSVJSPN-VMPITWQZSA-N 439.445 4.789 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1cccnc1 1875116057 JARNPLJHASOKBO-KPKJPENVSA-N 444.443 4.842 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 1875146795 IVAAQLDILPPGCD-NTUHNPAUSA-N 444.483 4.901 30 10 IJEE CN[C@@H](CC#CCOC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875686126 JKVCRVQWPPCSDA-LSYYVWMOSA-N 445.559 4.506 30 10 IJEE Cc1csc(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c1Br 1879735156 KPIRUJJYQIWYBF-KPZWWZAWSA-N 426.185 4.517 30 10 IJEE C=C([C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[Si](C)(C)C 1923002102 SDTSJAACDJFSOG-NRFANRHFSA-N 431.697 4.697 30 10 IJEE Cc1cc(Br)c(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)cc1Cl 1924450725 OYZRLRSPRPWXCA-UHFFFAOYSA-N 428.563 4.575 30 10 IJEE N#Cc1csc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1951851817 AWVZPDSUEWEWLH-SFTDATJTSA-N 444.512 4.669 30 10 IJEE CC(C)[C@@H](COc1ncnc(Cl)c1C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1986478228 JTSPWLJBWMPXPW-GOSISDBHSA-N 430.936 4.842 30 10 IJEE O=[N+]([O-])c1c(Br)nn(Cc2ccc(C(F)(F)F)cc2F)c1C(F)(F)F 2079166015 WSCGCKACDARVFS-UHFFFAOYSA-N 436.081 4.779 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079877289 WBECTVSQFWGHNL-INIZCTEOSA-N 435.309 4.665 30 10 IJEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1C#N 2118194015 HLPFYTOXCOEOPP-CYBMUJFWSA-N 426.330 4.543 30 10 IJEE C=CCC1(C(=O)Nc2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2124495255 BNLCVYJWZVXBRW-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 2139853835 VXMXTROIBZEKIT-CYBMUJFWSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1ccsc1S(C)(=O)=O 2150480392 GLGNYMAUDGZNSF-OAHLLOKOSA-N 426.947 4.811 30 10 IJEE Cc1ccc(CN(C)[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2154840812 UOHWTVQCBYADTH-DEOSSOPVSA-N 448.460 4.779 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2163694137 KAMUENBKGRNRAH-UWJYYQICSA-N 428.349 4.951 30 10 IJEE C[C@H]1SC(=NCc2cc(Br)ccc2Br)N[C@@H]1C(F)(F)F 2195328467 YBYQFLLGDKXSLA-LDWIPMOCSA-N 432.103 4.723 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CCC(=O)C#Cc2ccccc2Br)s1 2227469190 CQLYUUOUPLRHQI-UHFFFAOYSA-N 435.343 4.806 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2ccccc2Br)CC(C(C)(C)C)C1 2235730094 JWCFOQXEHBESMT-ASNBIDDJSA-N 436.390 4.881 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2235731682 QXNVDTKXNVZWCU-OALUTQOASA-N 435.406 4.814 30 10 IJEE CC(C)n1ncc(C(=O)C#Cc2ccccc2Br)c1NC(=O)OC(C)(C)C 2235732930 ZHTIIWVTTVTKGG-UHFFFAOYSA-N 432.318 4.808 30 10 IJEE C#CC[C@@H](C)C[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237419866 JYKWJJMOIKUOPG-NSISKUIASA-N 437.422 4.913 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1 2255823683 XNUYHELARAAONO-HNNXBMFYSA-N 430.354 4.837 30 10 IJEE CN(Cc1ccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1)C(=O)OC(C)(C)C 2267113095 PFFWIZJYXSDNEI-HDICACEKSA-N 444.381 4.864 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(CCC(F)(F)F)Cc1ccccc1 2267593920 XJPRTRONNNGHEG-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2c(Br)cccc2C#N)CC1 2269698759 ZEDNLILSBNUBMF-MRXNPFEDSA-N 426.330 4.718 30 10 IJEE COCC[C@@]1(Nc2c(Br)cccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2285178166 AEGTYKVGIMXAHA-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE COc1cc(C=C2SC(=Nc3cc(Cl)cc(Cl)c3)NC2=O)cc(OC)c1OC 2296124764 TZGSTVSNYUUBMO-UHFFFAOYSA-N 439.320 4.911 30 10 IJEE CCC[C@]1([C@H](N)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296305057 OFQHOLDBWCHFJJ-KNQAVFIVSA-N 435.406 4.945 30 10 IJEE COc1c2c(cc3c1[C@@H](CC(=O)C=C[C@@H]1C(C)=CCCC1(C)C)[N+](C)(C)CC3)OCO2 2297748541 NLHLDHDELFUZNZ-NHCUHLMSSA-N 426.577 4.995 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2313558177 UVQPZYGGSYVJOH-UHFFFAOYSA-N 448.475 4.995 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(OC)cc4)ccc3C2=O)cc1 2314437959 BZEQKJZWMVNJEM-UHFFFAOYSA-N 430.456 4.972 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)o1 2320847616 HXEFEDKWEJNYHJ-UHFFFAOYSA-N 430.917 4.753 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2321985591 VMWRFEQYDNTTDF-UHFFFAOYSA-N 433.485 4.503 30 10 IJEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 2322099124 FJTLJPZKSRCXTJ-UHFFFAOYSA-N 439.467 4.940 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)c1 2323381800 XXHYIYMWVIVKNM-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3C[C@@H](C)O[C@H](C)C3)C2=O)c2ccccc21 2324017582 NQAVKEZBOUZJBS-IAGOWNOFSA-N 432.520 4.592 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c([N+](=O)[O-])c2)cc1C 2324451129 CYPPKGPNWOUKJN-UHFFFAOYSA-N 437.477 4.582 30 10 IJEE CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cc(Cl)ccc1O 2325925397 BUJRUTSCDOSVCR-UHFFFAOYSA-N 437.750 4.595 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccn2)c1 2328604965 QPEVZRMKXZQDKR-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE Oc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCCc2ccccc2)c1 2329200396 YMRMLLDWOLABDD-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE COc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1O 2329837413 DEJSIIBAXZIWCI-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329852970 NSUPDUAMVUNWSF-UHFFFAOYSA-N 434.924 4.760 30 10 IJEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(O)c(O)c2)c1 2330347251 LNHVHYACVWAMGG-UHFFFAOYSA-N 436.562 4.825 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccc(O)c1 2330552309 KYGPONRVMNELMT-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cccs1 2331131537 GIVJZFAZBZYPSO-UHFFFAOYSA-N 439.488 4.588 30 10 IJEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OC 2331382814 KTSRCXFBPKYLEJ-UHFFFAOYSA-N 428.481 4.713 30 10 IJEE COCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Br)cc1 2331548449 HVBDTEWCDURCLV-UHFFFAOYSA-N 431.359 4.670 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2331663866 BQFIJGKZPNJCTO-MRXNPFEDSA-N 441.988 4.736 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(F)cc2)n(-c2ccccc2Cl)n1 2331685050 YCTGPTSBEIDIBY-UHFFFAOYSA-N 437.906 4.890 30 10 IJEE COc1ccc(CC[C@]2(C=O)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1 2339378393 BAUXUOBVMDNOIN-HXUWFJFHSA-N 426.351 4.607 30 10 IJEE CC1(C)CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339534835 DTDXRDVRWNFPJR-CCEZHUSRSA-N 433.405 4.827 30 10 IJEE C=CCn1c(SCc2cc3c(cc2Br)OCCO3)nnc1-c1ccccc1 11055827 WZKUDUSWHVLRCW-UHFFFAOYSA-N 444.354 4.957 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1OC 21226961 PNBQMJARPHVQIZ-SJLPKXTDSA-N 425.912 4.752 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)c1 33431319 GRBDISZPDGCTSY-QFIPXVFZSA-N 435.451 4.986 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1I)c1cccc(Br)c1 36765810 HWXDLQRKBCSDHC-CYBMUJFWSA-N 426.051 4.544 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CC=C)cc1OC 38594324 HRMFGUBVNGQBFZ-HSZRJFAPSA-N 431.488 4.714 30 10 IJEE CC[C@H](Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1O 38623246 JUOHCXJJXZGDRJ-UZLBHIALSA-N 434.467 4.523 30 10 IJEE Cc1nn(-c2ccccc2)c2c1/C(=N/OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)CC(C)(C)C2 39853048 ISHJPZSSLBJPJP-WXPBPIJMSA-N 449.551 4.522 30 10 IJEE COc1cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc(OC)c1OC 41290574 ZJZIHIIQNPWMGB-JAIQZWGSSA-N 446.455 4.856 30 10 IJEE N#CCCN(C(=O)c1cc(Br)c(Br)s1)c1ccccc1F 96576428 JKKDTJWZEKKBBA-UHFFFAOYSA-N 432.112 4.973 30 10 IJEE C#CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(CC)C2=O)cc1Cl 100927091 XWFSKEDKVMMIGJ-QLIPUSLZSA-N 440.908 4.674 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 102532547 AMPUFZZAMWGBAY-UGUGFTGJSA-N 442.471 4.568 30 10 IJEE Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)S2)cc1 103250475 DPDUTCHFQRBMGK-JCMHNJIXSA-N 443.528 4.904 30 10 IJEE C#CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCC 103517087 TZOYGSLWTVMGGD-DEDYPNTBSA-N 427.909 4.987 30 10 IJEE CCNc1ccc(C#N)cc1/N=C1/S/C(=C2\Sc3ccccc3N2C)C(=O)N1CC 107234304 DUTNTMUTBHPOOL-SHSIKMABSA-N 435.578 4.984 30 10 IJEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169879264 PAFLASNLCNDOIV-YDZHTSKRSA-N 436.424 4.845 30 10 IJEE Cc1cc(C)c(S(=O)(=O)N/N=C/c2c(O)ccc3cc(Br)ccc23)c(C)c1 169904463 JFRZHNZPZWHCHD-SSDVNMTOSA-N 447.354 4.546 30 10 IJEE COc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1OCc1ccccc1Cl 169936689 KATSSKAYKQUVCF-OAQYLSRUSA-N 430.957 4.652 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OC(C)C)c1 169980053 OYBBEAUYLGHHAF-QHCPKHFHSA-N 449.503 4.835 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccs1 169989952 ZGOKSFKRNBYPND-FQEVSTJZSA-N 445.500 4.724 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccnc2)c1 170012532 LBDGYKVPMISZIM-XMMPIXPASA-N 442.515 4.876 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)s1 170055403 RMWXBUQZDRZWRW-FQEVSTJZSA-N 436.508 4.720 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170077428 KCGDRAGZUCNHPZ-XMMPIXPASA-N 437.499 4.958 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCOC(C)C 170122209 ZTEIGUMKHXSCEO-XMMPIXPASA-N 445.515 4.852 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)cc1OC 170236976 IELOBOYYMFFGIJ-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 170325845 SYCCTMUNXGYQGI-DEOSSOPVSA-N 443.499 4.989 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@@H]1c1ccncc1 170483070 ZBIFTADRTLEJLA-MRXNPFEDSA-N 431.876 4.609 30 10 IJEE Cc1ccc(C=Nn2c(N)c(C(=O)Nc3cccc(C)c3)c3nc4ccccc4nc32)cc1 254579390 UUMKLMFOBWWLPA-UHFFFAOYSA-N 434.503 4.918 30 10 IJEE Cc1ccc(NC(=O)c2c(N)n(N=Cc3cccc(C)c3)c3nc4ccccc4nc23)cc1 254704155 BGJOGPRNBYYSEY-UHFFFAOYSA-N 434.503 4.918 30 10 IJEE CCN(CC)c1ccc(N=C2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)cc1 254833338 NLAPBWBWDBQKIS-UHFFFAOYSA-N 441.491 4.965 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 476806143 NIVSEPMTSGPQGY-UHFFFAOYSA-N 436.581 4.933 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](c2nccs2)C1 508463598 HZKFZMNFYYHMLX-FQEVSTJZSA-N 439.585 4.509 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)cc2OC)cc1 526515409 KCCFGOFSYYVQAL-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc(C)cc1NC1=C(Sc2ccccc2)C(=O)N(c2ccccc2C#N)C1=O 526636998 RKFBCBMQNALOLI-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526802670 KMBPACFQTBRNID-UYOCIXKTSA-N 441.315 4.872 30 10 IJEE C=C(C)Cn1c(COc2ccc(OCc3ccccc3)cc2)nnc1N(C)C1CCOCC1 555198660 YAIALCHCQMDEEY-UHFFFAOYSA-N 448.567 4.627 30 10 IJEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H]1c1ccccc1I 576076102 MWTDDQPRKYJAIR-QGZVFWFLSA-N 446.292 4.670 30 10 IJEE N#Cc1ccsc1C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609446404 GFGQLYRICVJJKR-OAQYLSRUSA-N 436.581 4.949 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)c1nnc(Cc2ccccn2)n1CC=C 685550679 LDWUHCZFYQOECJ-UHFFFAOYSA-N 442.336 4.544 30 10 IJEE CCCN[C@H](CC#CCOC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 698996166 MHVGCRWKDNVZBX-GOSISDBHSA-N 425.367 4.877 30 10 IJEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(Cc1ccccc1)C(=O)OC(C)(C)C 716119602 FWWNYZFALAARKH-XMMPIXPASA-N 429.561 4.963 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 733200568 FZWGEFIGUSWJKI-JOCHJYFZSA-N 445.519 4.963 30 10 IJEE CCN(CC)C(=O)c1cccc(NC(=O)CSCc2cc(Cl)ccc2OCC#N)c1 735318972 TUQGXVRJCRNXRH-UHFFFAOYSA-N 445.972 4.596 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 750296291 ZDNQLAMDXOTCQV-LJQANCHMSA-N 427.430 4.758 30 10 IJEE CC(C)(C#N)c1ccccc1COC(=O)c1cc(O)nc2ccc(Br)cc12 768026505 DWKKCVYXONAPGO-UHFFFAOYSA-N 425.282 4.861 30 10 IJEE CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2cc(C#N)ccn2)cs1 803846303 POIIPNDQZUQCEE-UHFFFAOYSA-N 447.303 4.758 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H](C)c1ccccc1F 812178506 GSKKKKUIEKFPFU-SFHVURJKSA-N 437.519 4.617 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NC2CCC2)cc1 814186868 UXCAWSCZITZZDB-UHFFFAOYSA-O 438.617 4.686 30 10 IJEE COc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)c2ccc3ccccc3c2)n1 1084039588 BMQUTIMXVYHTMV-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@@H]2CC[C@H](OC)C2)C1=O 1116748839 RUKSMJQVFKFIGP-UWVAXJGDSA-N 445.629 4.569 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)c(C(=O)OC)o1)c1ccc2c(c1)OCO2 1124145247 LMVDSFYLMBEQGI-UHFFFAOYSA-N 449.459 4.515 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 1125553314 FDVHAAPDLRNEBH-UHFFFAOYSA-N 449.436 4.949 30 10 IJEE C=CCC1(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)CCCC1 1131040567 JNURVBWHIPVFAI-KRWDZBQOSA-N 433.390 4.615 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc3c2OC(C)(C)CC3=O)CCCN1C(=O)OC(C)(C)C 1131878540 KXLVCERBGNYJCY-DEOSSOPVSA-N 428.529 4.715 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)c1 1141866280 XEYQTPJOMHHMQH-RUZDIDTESA-N 431.557 4.588 30 10 IJEE Cc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1OCCN(C)C 1141971368 CRXOHNVEYFBWQK-UHFFFAOYSA-N 429.520 4.638 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2n[nH]c(C)n2)c(Cl)c1 1152464203 LZTURFUXMSHZSS-KRWDZBQOSA-N 433.940 4.622 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2c(C)nc3ccccc32)CC1 1156641412 PIENEDBOLFTURH-IBGZPJMESA-N 446.979 4.544 30 10 IJEE C=CCn1c(SCOC(=O)N2CCCC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1164418941 PSDPDBBSHSLKCD-UHFFFAOYSA-N 441.578 4.901 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)c1 1164476272 XEGHCGSADSSXHC-UHFFFAOYSA-N 444.541 4.780 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)CC(C)C)cc1)c1ccc(Br)cc1 1196738308 GKOJELSRXOIBGK-IBGZPJMESA-N 428.330 4.930 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 1197947835 NWLOAJULOXWSOI-UHFFFAOYSA-N 445.585 4.634 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC1(c2ccccc2C)CCOCC1 1199689533 WENPOOIPGFYLSO-UHFFFAOYSA-N 428.370 4.608 30 10 IJEE C#CCN(C(=O)Nc1cccc2ccn(C)c12)[C@@H]1CCOc2ccc(Br)cc21 1203405136 CQEZZZFYYLJHAW-LJQANCHMSA-N 438.325 4.932 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)NCC2(c3ccccc3)CCCCC2)c1 1208182092 AVGZZZBAEWOCID-UHFFFAOYSA-N 433.371 4.501 30 10 IJEE C=CCNC(=O)CNC(=O)Nc1cccc(-c2nc(-c3ccc(Cl)cc3)cs2)c1 1210200515 TUBUSWYDLDBVMB-UHFFFAOYSA-N 426.929 4.554 30 10 IJEE C=CCN(CC=C)[C@H](CNS(=O)(=O)c1c(C)sc2ccc(Cl)cc12)C(C)C 1211531568 XALDCEUOQALXPT-GOSISDBHSA-N 427.035 4.840 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 1216727958 FWARTICVBALEQE-HXUWFJFHSA-N 427.980 4.944 30 10 IJEE COc1cc(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)ccc1Br 1217007683 BIURDKIYZOVPQX-UHFFFAOYSA-N 430.180 4.872 30 10 IJEE C#CC[C@H](NC(=O)NCc1cc(Cl)cc(I)c1)c1ccccc1 1224388919 PXZALJCBYDVZMQ-KRWDZBQOSA-N 438.696 4.508 30 10 IJEE C=CCN(C(=O)[C@@H]1CCCS1(=O)=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1264229359 BBUURQTZOPSYQN-NRFANRHFSA-N 438.574 4.573 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)Cc2cccc(F)c2)c(C(=O)OCC)c1C 1264357799 ZQDLRASHXGCJDJ-CYBMUJFWSA-N 433.501 4.532 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCN(c3ccccc3F)CC2)s1 1271699622 BCNQITCAJCBYQG-UHFFFAOYSA-N 440.009 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1286300694 CFWVHALDXWXJSX-GMAHTHKFSA-N 436.600 4.814 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](CCC)C1 1286317260 NXSSFGYRACEKHT-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286585134 BDNOASNYDDOWNK-WSTZPKSXSA-N 448.995 4.505 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(OC)C2CC2)CC1 1286643556 NINYXZPOPIFEHX-NRFANRHFSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1286675317 NUPTXNKUJLCWFQ-UHFFFAOYSA-N 449.643 4.869 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CC12CCOCC2 1286740403 LHSGXVXFXRZMOZ-OAQYLSRUSA-N 438.616 4.885 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1Cc1ccc(OCC(F)(F)F)nc1 1286743572 LLKSUKSYNJWTSA-UHFFFAOYSA-N 445.489 4.979 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCS[C@H](C)[C@@H]1C 1286799502 VTOSGJQNGPKPFB-RBUKOAKNSA-N 426.630 4.954 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1287317812 DBIDDRFUYZKDRN-NZQKXSOJSA-N 442.007 4.713 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 1292507873 PXVBQTAOPIAXKR-HSZRJFAPSA-N 436.987 4.772 30 10 IJEE C=CCC1(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)CCOCC1 1294312490 FMZABWRJGYLRII-UHFFFAOYSA-N 427.932 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1300275363 UEVGKKLPRHHTGE-NRTAZHGZSA-N 438.616 4.944 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1300318094 YMGCDPIPVSLZFC-QGZVFWFLSA-N 446.624 4.805 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](C)c1ccc(OC)cc1 1300327358 BWSRZOJCIFNYPP-DAVBRLECSA-N 438.616 4.857 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1300348071 IPYVVBHVXZXTAS-UHFFFAOYSA-N 428.024 4.960 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCC1CCC(OC)CC1 1300816877 XFLAEBZWISOJRH-AJEPASEPSA-N 436.600 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(F)(F)F 1300876703 SBQUXGXFHAZXJF-CXAGYDPISA-N 444.885 4.587 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CCCC1 1300898112 WHKIEUWIVPQDCV-XXBNENTESA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300907279 FKMBCFIFCFFNDW-TZIWHRDSSA-N 439.604 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1csc(C)n1 1301136741 BRBKGTMBZPEKLM-LJQANCHMSA-N 444.649 4.905 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCCCC2)C1 1301176636 HAQFQLPYDAVSLK-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1301198399 IZLYKSHNLIZQSN-UHFFFAOYSA-N 441.620 4.533 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1ccon1 1301208052 MRKVNGQCBMKQOU-UHFFFAOYSA-N 436.741 4.952 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1ncc(C)s1 1301278264 JNRIRLHWJCKPTO-ZDUSSCGKSA-N 432.391 4.898 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CCC(OC)CC1 1301281078 APQZZJIRROAOMX-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1301365777 YOGQWCKCNBITLJ-UHFFFAOYSA-N 433.512 4.775 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCC[C@@H](C)C1 1301379138 BIBMNJUELPUVJE-GOSISDBHSA-N 429.996 4.517 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1301384243 NRZBILGEHXECPN-UHFFFAOYSA-N 439.567 4.678 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1F 1301410287 BCKPYIOGQULYRP-UHFFFAOYSA-N 447.514 4.673 30 10 IJEE C=CCC1(O)CCN(C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)CC1 1303789006 ZJQVAVXLQOLBAF-UHFFFAOYSA-N 448.563 4.714 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)c2c(C)noc2C)cc1C 1304395460 CTGZZHKMPSQLNR-MSOLQXFVSA-N 436.560 4.621 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)Cc3cc(Br)ccc3OC)cc2n1 1311238195 XDYMQHXYSXOHKT-UHFFFAOYSA-N 429.318 4.657 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(c3nc(C)c(C(=O)OCC)s3)CC2)c(Cl)c1 1311263050 MDNKJNDDXBSTIS-UHFFFAOYSA-N 431.945 4.674 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2ccccc2COc2ccccc2Cl)cc1 1311975632 UQKOICUVOABFMG-UHFFFAOYSA-N 434.923 4.930 30 10 IJEE C=CC[C@H]1N(C(=O)NCCc2ccc(OCCN3C[C@@H](C)[C@@H](C)C3)cc2)CCCC1(C)C 1312406454 XGTKQXVVJFOIGM-OTNCWRBYSA-N 441.660 4.972 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1)c1ccc(Br)cc1 1312937396 PUCHPXZNMZFSOS-JXFKEZNVSA-N 433.296 4.991 30 10 IJEE CSC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 1316364160 GBTXGEJPYZJMHP-UHFFFAOYSA-N 440.436 4.651 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1 1342304886 LFFPPTBTICXAMX-VQTJNVASSA-N 433.321 4.664 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3cc(F)c(N4CCOCC4)c(F)c3)cc2)cc1 1358011115 FROSSGRFJRHMQN-UHFFFAOYSA-N 435.430 4.718 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1scnc1C 1358920743 GZTQHNOUPKNNQE-INIZCTEOSA-N 429.977 4.886 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1359079641 QTLFKFAMLYMBBU-IBGZPJMESA-N 437.769 4.514 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCc2nccn2C1 1359196330 CVNYZMACBIXBAZ-GOSISDBHSA-N 439.995 4.635 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359198228 LMTHBHRNJBSIEI-IRFCIJBXSA-N 427.568 4.586 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359220089 NQAUHQJHNMYGNE-RUZDIDTESA-N 442.604 4.863 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCC[C@H]1C)C1CC1 1359248102 ANKUQQOEUBQWNC-QGZVFWFLSA-N 444.421 4.655 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1ccnc(SC)c1 1359254050 CQYWJYQXPWIKQD-UHFFFAOYSA-N 437.613 4.942 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1Cc1ccnc(Oc2ccccc2F)c1 1359276030 PBJXECYPNSIMKC-UHFFFAOYSA-N 433.487 4.789 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N[C@H](C)c2ccccc2)C1 1359316780 WJXXNCGREQCFIC-IFMALSPDSA-N 449.599 4.757 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2C)c1 1359975230 RUWCVKXBWPGENJ-HRAATJIYSA-N 432.973 4.640 30 10 IJEE C[C@@H](Oc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1)c1ccccc1 1360123220 HYULVZTUZVYOCZ-PXDATVDWSA-N 425.532 4.677 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(I)cc2F)c1 1435007099 BZVZPJAPHUKOEF-UHFFFAOYSA-N 445.231 4.852 30 10 IJEE C=CCN(C(=O)Cc1cccc2ccc(OC)cc12)[C@H](Cc1ccccc1)C(=O)OCC 1435901526 STSHXQTXHKSZPI-RUZDIDTESA-N 431.532 4.580 30 10 IJEE C#Cc1cccc(N(C)C(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1443412859 WDGJOQHSNKBCTC-UHFFFAOYSA-N 438.527 4.902 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccccc2F)c1 1448993451 QIUFBLNIBDMBMV-QGZVFWFLSA-N 449.910 4.665 30 10 IJEE N#C[C@H]1CN(C(=O)c2ccccc2OCc2ccccc2Cl)CCN1Cc1ccccc1 1456271770 AUQOPFVGWXPVIL-QFIPXVFZSA-N 445.950 4.769 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1459628153 IWSXYQHKVICGDB-VLYJIQRVSA-N 438.999 4.653 30 10 IJEE C=CCOc1ccc(CNC(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)cc1 1459930123 MHOXFBZLRZWFFO-UHFFFAOYSA-N 431.323 4.631 30 10 IJEE COc1cccc(C2=NO[C@H](C(=O)OCc3ccccc3Oc3ccccc3C#N)C2)c1 1460035703 DIVKGPZBJVFIDY-DEOSSOPVSA-N 428.444 4.596 30 10 IJEE OC[C@H](CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)Cc1ccc(F)cc1 1461097827 AIZWJLCITNWXSN-YJBOKZPZSA-N 439.371 4.639 30 10 IJEE C=C(C)C[C@H](NC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12)C(=O)OCC 1462503033 RRILRFQTXDBCBI-QHCPKHFHSA-N 434.536 4.790 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)cc(Br)cc1C 1464587220 RPFQXJNPGCBJIN-INIZCTEOSA-N 445.785 4.718 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)cc21 1467379948 GDUPMBZVPTVIDR-UHFFFAOYSA-N 432.503 4.848 30 10 IJEE C#Cc1cccc(CNC(=O)N(C)Cc2cccc(OC)c2OCc2ccccc2F)c1 1470510941 HWIJHMPKCZVPRZ-UHFFFAOYSA-N 432.495 4.736 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(C)c(OC)cc1C 1474918470 BXWRRCZMBYUXSZ-UHFFFAOYSA-N 442.350 4.591 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1 1475627527 SCJUPSYNIWVGMY-SFHVURJKSA-N 426.460 4.563 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 1477535234 IDGQTUIIIFQRAO-DEOSSOPVSA-N 448.929 4.972 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(Br)cc1 1478896503 OBZJXKVIKXXFGH-GFCCVEGCSA-N 443.185 4.650 30 10 IJEE C=CCCC[C@@H](NC(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1)c1ccccc1 1479190452 IOBAUWCUZWFUTG-BPYKYCOYSA-N 427.589 4.982 30 10 IJEE COCCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1504738343 FBRNDDXYMMGXCW-AOMKIAJQSA-N 449.958 4.576 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507563238 SIGVUNZIQQIYHN-FQEVSTJZSA-N 448.571 4.648 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1507565208 AFRUHWZBGRPFNI-QFIPXVFZSA-N 435.597 4.787 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1507569318 YVSUTBPOJHCAAN-UHFFFAOYSA-N 440.954 4.503 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H]1Cc1cccs1 1507747615 IWVONOZEHOAPKQ-KRWDZBQOSA-N 426.586 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](OCCC)CC1 1507804104 DYEMLTURYIAMGZ-AKFKNWHVSA-N 430.637 4.778 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C)C2(CCC2)C1 1507840912 QMEMFZHDGBQBPZ-IBGZPJMESA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C[C@H]1CCOC1)C1CC1 1507917489 PUIFDFSPFNIUHH-QGZVFWFLSA-N 430.543 4.755 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1507936686 IANZIEHWNBBJKS-TZIWHRDSSA-N 442.007 4.987 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1507945405 AXWHLFGBICXPLR-UHFFFAOYSA-N 428.462 4.591 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccs1)C1CC1 1507993330 JXZQJNPMCDRRAS-KRWDZBQOSA-N 443.617 4.657 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cc1)C1CC1 1507994992 ALHCFJLUMGAOPI-FQEVSTJZSA-N 441.551 4.692 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(F)cn1 1508009962 HBHXRNKYIZJRSO-MRXNPFEDSA-N 427.911 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCc2ccccc21 1508015213 NMFVJLLYUXUNLS-QGZVFWFLSA-N 438.373 4.944 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(C)CCCS2)C1 1508113400 GBWMOKAVGJLEMI-DPLHUUCSSA-N 426.630 4.887 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@]2(C)CCO[C@@H]2C2CC2)o1 1510782946 ADOHGJBWSXSNQA-ZJSXRUAMSA-N 425.577 4.818 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1513987035 HEODHQFPGABHBP-KIFXHHALSA-N 434.632 4.810 30 10 IJEE CC[C@](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)(C(=O)OC)c1ccccc1 1525728226 HDSZMAVSRGNJII-AREMUKBSSA-N 428.488 4.867 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1526560135 HCKAIRZPDHRFCX-LIRRHRJNSA-N 443.462 4.830 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N[C@H](C#N)c3ccccc3Br)c21 1533243297 QCPGFHPFTBRPOV-QGZVFWFLSA-N 441.329 4.545 30 10 IJEE CC(=O)N1CC[C@@H](OC(=O)c2cccc(COc3cccc(C#N)c3)c2)c2ccccc21 1534796028 QLCDLNPZVHQCFE-RUZDIDTESA-N 426.472 4.792 30 10 IJEE C#C[C@H](NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl)c1ccc(Cl)cc1 1535469240 YKCRHWPMEWJVCJ-AWEZNQCLSA-N 430.740 4.545 30 10 IJEE CCn1c(NC(=O)c2ccc(Br)c(OC(C)C)c2)nc2cc(C#N)ccc21 1535717683 BUWFAOGUHUJYKI-UHFFFAOYSA-N 427.302 4.730 30 10 IJEE C#CCOc1ccc(COC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)cc1 1538169449 IKXZEHYEVMYLKZ-UHFFFAOYSA-N 427.382 4.608 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1539053298 OSZYKZVGFSDUQR-JQVVWYNYSA-N 442.991 4.880 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(CC)s1 1539295677 DVYODOZSWNVESS-SFHVURJKSA-N 436.556 4.692 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCc1nc(C)cs1 1539376323 VEEMNNWTQMDZNN-UHFFFAOYSA-N 432.597 4.598 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCC1(C)C 1539395216 AGVWQOFMUOTQDV-RBUKOAKNSA-N 445.007 4.984 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCCS1 1539548787 WEHDUHSDTZVMKF-YADARESESA-N 440.613 4.630 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1539727952 ALCCDKHORLTVHF-WDYCEAGBSA-N 448.409 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1539925955 FKOBUHZVZIKPNG-GMAHTHKFSA-N 448.615 4.708 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(CC)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1539946777 DKTKXIAMKAWOLH-ZEQKJWHPSA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1539955476 YXULNLGWVJZLPI-UHFFFAOYSA-N 435.597 4.762 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1539972035 YFVUTJGSQXPMFB-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539973797 DCWZQCBZKOGPKC-RUZDIDTESA-N 442.604 4.863 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1540006642 FUJTXXYSJASYKB-MAUKXSAKSA-N 426.417 4.620 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1N(C)CCCC1(C)C 1540158978 VPIUIAWHMCLPNN-NRFANRHFSA-N 444.023 4.906 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)c2nccs2)C1 1540886231 YLEHYLMPXKMQIB-MAUKXSAKSA-N 429.977 4.640 30 10 IJEE C=CCSCCn1c(N2CCC[C@H](C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540922327 KZRJURITJWKAKS-GBESFXJTSA-N 449.665 4.594 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F 1543968742 GTQAAKWYFAVMCG-KRWDZBQOSA-N 432.458 4.966 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1ccc(Cl)cc1 1556907623 WBBYJBLZFITVJL-FQEVSTJZSA-N 440.833 4.680 30 10 IJEE C=CC[C@H](C)Sc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccccc1Cl 1559318097 ARBKPJOQNAZLNS-AWEZNQCLSA-N 428.941 4.942 30 10 IJEE CCOc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)c2cccc(Cl)c2)cc1 1561400275 FTIYWDSFMBCXKE-QFIPXVFZSA-N 426.925 4.678 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Br)cc1Cl 1561959977 NQJHDCSTJAZAIC-GOSISDBHSA-N 438.774 4.804 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc21 1563316153 UPQIPMJREPIXOM-UHFFFAOYSA-N 441.482 4.614 30 10 IJEE C=CCOc1ccc(CNC(=O)NCC(F)(F)c2ccc(Br)cc2)cc1 1564734250 IGFOCJUQOZZACO-UHFFFAOYSA-N 425.273 4.605 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](Cc1ccccc1)OC 1564791056 FJUVKAUIFHBRSX-IBGZPJMESA-N 435.337 4.544 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C 1570575642 HNFWBTSONUPCRC-DLBZAZTESA-N 445.000 4.525 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 1583070440 KSMRBULNBPEMEP-VBKZILBWSA-N 425.342 4.523 30 10 IJEE C=CC[C@@]1(C(=O)NCC(F)(F)c2cc(F)cc(F)c2)CCCN1C(=O)OC(C)(C)C 1583674758 QIWXOIARDXODDS-FQEVSTJZSA-N 430.442 4.519 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C(F)(F)F)c(O)n3)cc2F)c1 1584592966 MEQYSSNGJLNQQL-UHFFFAOYSA-N 431.345 4.648 30 10 IJEE N#CCOc1ccc(CC(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)cc1 1587525436 DCVZOQDNRHZIBH-UHFFFAOYSA-N 430.689 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1C 1589505988 QJNCWLALTABSEL-KEYYUXOJSA-N 437.407 4.739 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](CC)C1 1589578052 FJJKIMJRVIDLBZ-MSYCTHLASA-N 442.629 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1csc(C)c1 1589609408 XGZRZYNAFOUJOW-UHFFFAOYSA-N 434.407 4.867 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1593605064 DHAUWDBGFKGNBW-LJQANCHMSA-N 438.494 4.714 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1594534140 IGPKAICLKFUUPC-ZWKOTPCHSA-N 428.581 4.622 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC[C@@H](C)C1 1594559568 MVHCCGMKNRDLDS-UXHICEINSA-N 448.615 4.811 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)S[C@@H](C)C1 1594794058 YVTDBOZMYJUMPS-HOTGVXAUSA-N 437.009 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H]1N(C)CCCC1(C)C 1595149667 RSUFRAFGVDCEDH-NRFANRHFSA-N 436.629 4.715 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1)C(C)C 1595166829 YUHQHYAANURHDC-XZOQPEGZSA-N 444.023 4.516 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)OC 1595185331 WTWTZMGHRQTFOD-UHFFFAOYSA-N 439.785 4.964 30 10 IJEE C#CCO[C@H](C)C(=O)Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1Cc1ccccc1 1595862899 BJWMKYHQGUCHNY-OAHLLOKOSA-N 428.319 4.882 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1)C(=O)OCC 1596777504 CVVQWKGUAKBPOF-INIZCTEOSA-N 431.945 4.508 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1596985777 VLWPVUMNAJYGGL-QHCPKHFHSA-N 446.572 4.614 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](C)c3ccc(I)cc3)cc2n1 1611188046 IYLXACSNXUCTNL-ZDUSSCGKSA-N 431.277 4.569 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3c(Cl)cccc3C2)n(-c2cccc(F)c2)c1C 1615595406 AQHFZIYCZOHSDH-UHFFFAOYSA-N 436.918 4.755 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 1621179145 COULXUPEJMDHDM-JOCHJYFZSA-N 431.923 4.799 30 10 IJEE C=CC[C@@H](NC(=O)c1oc2ccccc2c1COc1ccccc1Cl)C(=O)OCC 1624931945 POGYTKBLJJWZCO-GOSISDBHSA-N 427.884 4.903 30 10 IJEE C=CC1(CC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)CN(C(=O)OC(C)(C)C)C1 1631649497 BNVSYXCEJANRAO-UHFFFAOYSA-N 448.554 4.949 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 1632577795 IYCLSUABJZMWAL-IBGZPJMESA-N 447.457 4.530 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C 1632773376 QXVGJGHPOJXJGD-WOJBJXKFSA-N 446.588 4.510 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 1633625187 GJJYPMMUVJJCPF-QTEAWJPNSA-N 436.618 4.922 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CCCCC1 1635576997 YAYIJCZAZCAZQA-UHFFFAOYSA-N 428.554 4.505 30 10 IJEE C#CCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CCN(C(=O)OC(C)(C)C)CC1 1638327448 FCPCHCICWGOXKF-UHFFFAOYSA-N 435.568 4.522 30 10 IJEE N#C[C@H](CCc1ccccc1)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 1639215766 IDLIAVVFVLWXTH-INIZCTEOSA-N 430.455 4.859 30 10 IJEE C=CCO[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)C1 1642388896 TYEKQKYROORDOG-HXUWFJFHSA-N 430.932 4.746 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 1642540814 MUTOTSMQACBUHW-CCQQUTMYSA-N 444.641 4.859 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)c1ccc(Br)cc1 1647998139 JSPFXBJFWKPEOT-CRAIPNDOSA-N 439.394 4.918 30 10 IJEE C=CCOc1c(Cl)cc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc1OC 1658903714 RHWIWFNHQALRGO-HXUWFJFHSA-N 425.916 4.904 30 10 IJEE N#Cc1cc(F)cc(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 1664071886 DCNPUYOHCPNWDF-UHFFFAOYSA-N 425.467 4.931 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)[C@@H]1CCCc2ccccc21 1675179650 AEALOERICHRRKH-RPBOFIJWSA-N 431.580 4.555 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 1679423147 QADPTMZGMJLSGH-FPOVZHCZSA-N 449.979 4.989 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)cc1 1679826140 IQQWICVLTQQCFJ-FXAWDEMLSA-N 433.886 4.584 30 10 IJEE C#C[C@H](NC(=O)NCC(F)(F)c1ccc(Cl)cc1)c1ccc(Br)cc1 1682384494 PMXKNLXPDAKRHF-INIZCTEOSA-N 427.676 4.868 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1689842074 TXWRJEVNLTTWQT-LJQANCHMSA-N 445.567 4.566 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(C)CCCS1 1690089468 BLJLUUZVCXOLRR-DEOSSOPVSA-N 435.572 4.713 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)CC1 1690183216 PXNLCVLDTASKQE-UHFFFAOYSA-N 448.583 4.757 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)CC(C)(C)C1 1690183874 AANHUEYUNOJKJW-GOSISDBHSA-N 444.670 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCSC1 1690259510 LZEHZQMWNIBTPC-IBGZPJMESA-N 427.401 4.522 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1Cc2ccccc2[C@H]1C 1690302986 QVTCRTWKHDCNHB-OAHLLOKOSA-N 442.361 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1F 1690438072 YXJJMOWDILKXGD-UHFFFAOYSA-N 441.576 4.647 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc2nsnc2c1 1690449440 GUXIMBHJDDNKTG-HXUWFJFHSA-N 426.590 4.755 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)(C)C)CC1 1690485238 NXUBOSYJXODCLO-NRFANRHFSA-N 426.561 4.541 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](SC)C(C)(C)C)C1 1690695025 ZTIWCHCROHLMMB-XLIONFOSSA-N 430.618 4.513 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(C)(C)SC 1705500667 RRKLFFFDJJPPCW-QGZVFWFLSA-N 435.037 4.851 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)CCC 1705681825 HELQSQISQKOAJE-NSHDSACASA-N 445.203 4.817 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705723443 TZYMZUKZAJJEBE-IBGZPJMESA-N 442.947 4.962 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc2c1OCCCO2 1705799457 XIRWNSBJEAPLLP-OAQYLSRUSA-N 440.588 4.564 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)Sc2ccccc2)C1 1705927196 SIDYZRAHSPFXIM-TZIWHRDSSA-N 426.630 4.973 30 10 IJEE C=CCSCCn1c(N2CCC(n3c(C)nc4ccccc43)CC2)nnc1C(C)(C)C 1705949862 KZDRICUZXBEXJG-UHFFFAOYSA-N 438.645 4.994 30 10 IJEE CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1708307313 FBTGILZZCBNUEV-UHFFFAOYSA-N 434.632 4.956 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1722401668 HAZOOTNAILDZTL-RBUKOAKNSA-N 443.016 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccc(F)cc1)C1CC1 1722582038 GWXJGEDDAYYGEY-UHFFFAOYSA-N 448.546 4.836 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722587663 WSMNOKJJZGRVFG-GOSISDBHSA-N 427.568 4.572 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C1CC1 1722660697 CWVDEHBYCNQUCC-HDICACEKSA-N 441.551 4.715 30 10 IJEE CC(C)N(CCn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1723541393 FBNFYJGGIXHNJJ-AREMUKBSSA-N 436.648 4.702 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1)C1CCCC1 1728736473 CRYNDLYVRNSGBT-GCJKJVERSA-N 439.629 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCN1C1CC1 1740775365 XXPZAUASIFDFAT-JOCHJYFZSA-N 428.024 4.942 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740780075 TXYZZWPKWVGHAE-ROUUACIJSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740844999 AMOKWGGGYVGFIB-HKUYNNGSSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1740845684 YFQXVHBXBJSYBN-SANMLTNESA-N 438.616 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1740845832 CXDKHHKRRGALOX-NRFANRHFSA-N 439.510 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCc2ccc(OCC)cc2C1 1740849221 BXPIAAQTYYGDMH-UHFFFAOYSA-N 431.584 4.828 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](OCCC)CC1 1740859253 IJGYOMBMIKXFHP-HXUWFJFHSA-N 426.561 4.816 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(NC(C)C)CC1 1740870198 DBBNXCUZUFUEEB-UHFFFAOYSA-N 432.410 4.641 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@H]1CSCCS1 1740915113 VDTHIMDFKIMERF-FXAWDEMLSA-N 427.643 4.704 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CCC 1740932579 RGKIJKXLPGIMRO-VAMGGRTRSA-N 429.609 4.932 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(F)F)C1 1740997832 CVLZPDOTHPDWIJ-QGZVFWFLSA-N 429.540 4.894 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 1749086145 HRYHWSCMWLFFGM-LJQANCHMSA-N 446.437 4.649 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1cccc(OC)c1 1749098540 DDPHACVPFCGQPL-SFHVURJKSA-N 442.361 4.542 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@@H](C)C1CCC1 1749253071 JKNQWDWWDONBRR-ZDUSSCGKSA-N 426.790 4.814 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1749293665 SGXONMAHYPHFQH-UHFFFAOYSA-N 441.583 4.693 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1749384494 CHCPBAPGCBJPQR-SFTDATJTSA-N 439.604 4.694 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1749449587 PQCFZEFTSYGGAW-TZIWHRDSSA-N 440.588 4.572 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749622039 LXGMLDNGPHXYIA-SFHVURJKSA-N 444.421 4.514 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1750305501 BUUQHDHYKBBWDY-HTAPYJJXSA-N 445.658 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C(F)(F)C12CCC2 1760103815 MNZUPCWZSCDQFM-WMLDXEAASA-N 449.343 4.909 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1760135801 JORCJUKRXHXYJA-QFIPXVFZSA-N 437.975 4.680 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C1CCCC1 1760213309 XTXATQNLCJUWQA-UHFFFAOYSA-N 449.668 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(C)(C)C 1760313383 NGCWDMQZTSDNGW-FPOVZHCZSA-N 439.604 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCN(C)[C@H](C)CC 1760331249 JIBNVFNPVDZWCE-OAHLLOKOSA-N 440.455 4.902 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(Br)o1 1760348858 OQVADFMMPLMAJF-NVXWUHKLSA-N 437.382 4.765 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC(=O)N(C)C)CC1 1760398308 SZAZVVCSBCBIBT-UHFFFAOYSA-N 444.004 4.694 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760421177 HEZVFTJTVXZAQT-SFHVURJKSA-N 429.996 4.650 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760422694 KUOBAXKECSAXMJ-HSZRJFAPSA-N 430.980 4.729 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2C#N)CC1 1760423541 CTMPKLCAZXRLSE-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@H](C)OC)n2)C1 1762450223 BWCOEJUNFASEEF-QMHKHESXSA-N 436.585 4.655 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2[C@@H]2C[C@H]2C(C)C)c1 1769937259 ATYJDZNLXQNPBV-DHSIGJKJSA-N 432.366 4.529 30 10 IJEE CCN1CCc2nc3c(Cl)cccc3c(C(=O)Nc3sc4c(c3C#N)CCC4)c2C1 1859653636 XRJQBXRDXSKQAY-UHFFFAOYSA-N 436.968 4.940 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861239942 PXCUXUOBQSOZBI-QFIPXVFZSA-N 433.637 4.660 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(F)c1 1862626871 HMTAWMCKWUVPCC-IQMFZBJNSA-N 445.446 4.894 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2F)c1 1862700351 FKWNUDXUFOIIPV-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 1862703296 TVDJIRSAFZCPKM-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862705245 SXJVECPJEXRPNH-JTHBVZDNSA-N 449.547 4.750 30 10 IJEE CCc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862945161 ZEZCRZMPLUCVJS-UHFFFAOYSA-N 429.426 4.795 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862992339 SRXODCRYVGCFPF-UHFFFAOYSA-N 448.482 4.614 30 10 IJEE CCCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863104981 AHMUFCIDIXNDGJ-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867868151 UGHHZWSJJUIIBQ-YADHBBJMSA-N 437.609 4.525 30 10 IJEE N#Cc1ccc(COc2cn(C[C@@H]3CCCO3)c(CSCc3ccccc3)cc2=O)cc1 1870233580 WIXCOUJVEKGGMT-DEOSSOPVSA-N 446.572 4.911 30 10 IJEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C 1871253840 JRTSNYJUSJUGBR-UHFFFAOYSA-N 444.579 4.561 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)cc1 1871370607 UWMRLPJQWLKBNI-GRSHGNNSSA-N 426.346 4.948 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)cc1 1871371074 JGARKOUCEHRNEZ-OYKKKHCWSA-N 430.456 4.994 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(OC)c(Cl)c1)S(=O)(=O)CCCC 1872344336 SSSKDFQEDJOGKY-IBGZPJMESA-N 445.025 4.710 30 10 IJEE CC[C@H](C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 1872767292 WPKCDOVPOVOZGD-IFXJQAMLSA-N 429.501 4.695 30 10 IJEE COc1ccc(C(C)(C)C)cc1-c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)n1 1872777623 RVSQLEDTRAWBAD-CRAIPNDOSA-N 439.581 4.549 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCCCC)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330944 WZWYLLVLNXADML-UHFFFAOYSA-N 446.547 4.947 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C)c2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636187 IKCGTYSQLIAULI-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(O)c1 1874207838 WMKKHZSVTADFEZ-WSDLNYQXSA-N 443.370 4.887 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cc(C)ccc1O 1874216305 PLCVFPNQRZGIDE-OEAKJJBVSA-N 430.961 4.951 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3cccc(C)c3C)nnc2SCC)cc1OC 1874323971 QXQQXISDCSIJIZ-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)c1 1874384137 ACJJVSVBZDEJIG-BUVRLJJBSA-N 445.504 4.940 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1 1874451104 RDUNBYHDDVWOKG-DOUQRPAJSA-N 428.945 4.972 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCCC2)cc1 1874454194 FFWNCTDJZFHCCV-MFKUBSTISA-N 449.580 4.866 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2)cc1 1874465294 BHDJQKUJQBANME-BUVRLJJBSA-N 431.521 4.714 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2O)c1 1874483852 QVISIMKZFZEWPO-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2F)cc1 1874488752 HWPOEWQGQXSKRF-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCC2)cc1 1874498532 NFESTJYPRMQTLN-BFTFCADCSA-N 433.581 4.706 30 10 IJEE CCOc1cccc(/C=N/n2c(COC)nnc2SCc2c(F)cccc2Cl)c1 1874505338 HRSNCFZEPGFWPZ-FOKLQQMPSA-N 434.924 4.790 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)c1 1874581008 RLMSNRGVMWCZMG-WYMLVPIESA-N 447.487 4.626 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(F)cc(Br)c3)cc21 1890558271 ZYHSLBKDRXSJPP-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE COc1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)ccc1OCc1ccccc1 1892418858 CTYHISRPEMVLQT-UHFFFAOYSA-N 426.516 4.972 30 10 IJEE O=C(NC1CC1)c1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Cl 2079243226 PVYLLVMZYPSBNI-UHFFFAOYSA-N 429.723 4.654 30 10 IJEE CN(C)c1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)s1 2093102434 UFGDSFYLSWKZRH-AWEZNQCLSA-N 437.363 4.978 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2118200041 AANYFMXPMMTRCC-QGZVFWFLSA-N 426.330 4.542 30 10 IJEE C=CCN(CC(=O)Nc1cccc(C(F)(F)F)c1Br)C(=O)OC(C)(C)C 2124492969 BODFJDCSNBZFOD-UHFFFAOYSA-N 437.256 4.830 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2N1c1cc(Br)cc(F)c1C#N 2174764713 BXIKIPSJTSRISL-IFIJOSMWSA-N 438.341 4.732 30 10 IJEE CC[C@H](CCC(C)C)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2186004996 IBUCBAVSSFMZOU-MRXNPFEDSA-N 425.220 4.794 30 10 IJEE Cc1sc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c(C)c1Br 2226126636 UISSLOWFWOVWJI-UHFFFAOYSA-N 426.185 4.531 30 10 IJEE C#CC[C@H](C[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237404967 LZHMWNGSDOCJEA-UXPWSPDFSA-N 436.390 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@H](O)C#Cc2cccc(Cl)c2)C1 2248460667 LYBXTCWFKRVKFI-JOCHJYFZSA-N 441.955 4.506 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2267577470 SWCAMOIXDZVXAC-UHFFFAOYSA-N 444.381 4.831 30 10 IJEE COc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2281992689 QIXFGTHVSOUJLI-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3cc(F)c(Br)cc3Cl)C2)OC1(C)C 2282972747 TWOUZPBRCADOET-UHFFFAOYSA-N 444.537 4.645 30 10 IJEE CCn1ccc(C(=O)C=Cc2ccc(OC)c(COc3ccc([N+](=O)[O-])cc3Cl)c2)n1 2294901398 KHISWXOFIXUVGH-UHFFFAOYSA-N 441.871 4.948 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 2296280255 YIIALGGSLPQARU-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2296294378 TUDWFXFDYHILNU-OALUTQOASA-N 433.390 4.711 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2N[C@H]2CCCCN(Cc3ccccc3)C2)OC1(C)C 2317224814 UJIRRPWTTPKDJS-FQEVSTJZSA-N 441.812 4.501 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317313598 ZOEZIOYFZQTNFA-UHFFFAOYSA-N 431.386 4.832 30 10 IJEE CC(C)[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317355885 YFQBTMBKBUORLV-SFHVURJKSA-N 432.370 4.654 30 10 IJEE Oc1ccc(Br)cc1C=Nn1c(SCCc2ccccc2)nnc1C1CC1 2320859344 KADCRAXKCCVGDN-UHFFFAOYSA-N 443.370 4.841 30 10 IJEE CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1cnc(N(C)C)nc1 2321815516 QLTBAIYYMYVZGJ-UHFFFAOYSA-N 437.617 4.559 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccccc1 2322845603 WYXCRAVLAOUTFB-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2)c(OC)c1 2322904189 TWXBZDKUZKZWKL-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE O=C(Oc1ccc(C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1)c1ccccc1 2323230400 UAMHITRTAJDEFS-UHFFFAOYSA-N 444.878 4.551 30 10 IJEE Cc1ccsc1C=C1Oc2c(CN(CCO)Cc3ccccc3)c(O)cc(C)c2C1=O 2324010140 PMSCTDJRXADWTB-UHFFFAOYSA-N 435.545 4.681 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(O)c2CN2CCN(Cc3ccccc3)CC2)C1=O 2324191950 VQJJBKZTIVATGB-UHFFFAOYSA-N 440.543 4.635 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCc3nc(O)c4ccccc4n3)ccc2C1=O 2325200693 GWCREBAJOCITJD-UHFFFAOYSA-N 440.455 4.929 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1O 2325448985 ZOBISHUMGBJKFZ-UHFFFAOYSA-N 448.523 4.788 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CC(=O)N(C(C)(C)C)C3)n2N=Cc2ccccc2)cc1 2327809004 RBPIUDFOJWEOFE-NRFANRHFSA-N 447.608 4.875 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2N=Cc2cccc(OCC)c2)CC1 2328145338 GHXUFLYAZILUHX-UHFFFAOYSA-N 443.617 4.600 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2330994407 WIEWMNXPTSHCDZ-IBGZPJMESA-N 428.945 4.966 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(C)c1 2331084415 SOBYPIKEUZEDCA-UHFFFAOYSA-N 427.618 4.867 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)n1 2337026601 UDPXQEIHQKBHPL-UHFFFAOYSA-N 439.365 4.804 30 10 IJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(I)ccc1Br 2339567801 MUVUTCRDVKWTEF-NHYWBVRUSA-N 432.143 4.754 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 2358671033 DPRXQOOYGBGCGL-OTWHNJEPSA-N 435.406 4.718 30 10 IJEE C=C([C@H](NCCC)[C@@H](O)c1sc(Cl)cc1I)C(F)(F)F 2366644555 BVJGGFZRQWAWIS-VHSXEESVSA-N 439.668 4.526 30 10 IJEE CC1(C)C[C@](Nc2ccc(Br)cc2C#N)(C(=O)O)[C@@H]1OCc1ccccc1 2374899919 ZKJVAIOSKKFCPK-WIYYLYMNSA-N 429.314 4.571 30 10 IJEE CN(CCCC(F)(F)F)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377420656 SXWVDAXEMWKJQI-UHFFFAOYSA-N 436.121 4.523 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472965 XFHFTPYGLDHCSR-GCKMJXCFSA-N 445.928 4.539 30 10 IJEE CC[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 40171449 UTQVZGMGEBXWFM-NRFANRHFSA-N 440.532 4.710 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 41502076 NZVMXFVOXBTTSY-QRVIBDJDSA-N 430.456 4.985 30 10 IJEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 64656552 JSLLTILGKFLUHS-SFHVURJKSA-N 425.531 4.620 30 10 IJEE Cc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101108824 CVNQHKMPBFKBLB-QFEZKATASA-N 439.497 4.994 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)o1 102592762 QYGZBAFKMPSCNQ-QNENTPTBSA-N 443.499 4.576 30 10 IJEE C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O)C(=O)O 118925168 PEIQVFBLXUEBGA-PPYYWYIASA-N 446.628 4.603 30 10 IJEE in-vitro CCOc1cc([C@H]2NC(=S)N(CC)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 169933055 SIAXMODQJARODP-XMMPIXPASA-N 436.577 4.923 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccncc1 170018997 IGMCOJDVUSPDOM-NRFANRHFSA-N 448.862 4.555 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2)c1 170047715 JNGBDTLMNHPHLF-HXUWFJFHSA-N 434.517 4.942 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)cc1 170048010 KCGJUZGPBMBDPJ-HSZRJFAPSA-N 428.488 4.544 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1ccco1)c1cc2ccccc2o1 170097428 AKNRKNSNJIQXDZ-JOCHJYFZSA-N 443.411 4.533 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1ccco1 170123288 BFAHDOMYTYBLPB-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1C1CCCCC1 170123905 JZPDHVXNXRQYHZ-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OC)c1OC 170127001 MDJPIWNNQBKKJJ-FQEVSTJZSA-N 427.472 4.530 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)ccc1OC(C)C 170134448 MEAAOWAUADRQHU-QHCPKHFHSA-N 447.487 4.859 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(C)o2)c1 170302165 NOZHLXYQANZNJS-QFIPXVFZSA-N 431.444 4.716 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccs2)c1OC 170412119 ALJSPGCNZCNNOI-SFHVURJKSA-N 441.530 4.605 30 10 IJEE COc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)cc2)cc(OC)c1OC 170436725 AOXGSJYWHRAQIO-QFIPXVFZSA-N 439.508 4.536 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3cccnc3)sc2c1 170481849 CZISGBSZVKNXEN-GOSISDBHSA-N 437.521 4.605 30 10 IJEE C=CCN(C(=O)c1cc(I)ccc1Br)C1CCCC1 232461935 HYTUAZZCKIEPGT-UHFFFAOYSA-N 434.115 4.625 30 10 IJEE C[C@H]1CCC[N@@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@H]3C)cc2)cc1 253712551 VZVYOTUPBUMWMH-NXKSUSBYSA-N 434.624 4.977 30 10 IJEE CC[C@H](C)NC(=O)c1c(N)n(N=Cc2ccc(C(C)(C)C)cc2)c2nc3ccccc3nc12 254378115 CHPNLBXGOFPKMK-INIZCTEOSA-N 442.567 4.875 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@@H]1CCOC1 461526978 VCCCZVDWMMXGBN-HVCNVCAESA-N 444.579 4.752 30 10 IJEE C=CCOc1ccc(-c2nnc(SCc3nc(O)c4oc5ccccc5c4n3)o2)cc1 489790333 VQCZAIJFYXTQGY-UHFFFAOYSA-N 432.461 4.989 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1 505011552 XFDTUGAMFHFAEL-SFHVURJKSA-N 428.602 4.709 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 505060187 DDQRRDYICDJBHP-KRWDZBQOSA-N 437.569 4.827 30 10 IJEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1OC 526801232 GPCWNVLIUQAXAG-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE N#Cc1c(NC(=O)C[S@@](=O)C(c2ccccc2)c2ccccc2)sc2c1CCCC2 526894378 XNXGCSNTWKNKIB-SSEXGKCCSA-N 434.586 4.975 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 575850960 JCERXVCAFASJBN-UHFFFAOYSA-N 431.496 4.529 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)c1cccc(C(F)(F)F)c1 586218535 IFQXFODBPIVAMU-UHFFFAOYSA-N 426.460 4.830 30 10 IJEE Cc1nn(-c2ccccc2)c(Cl)c1C=NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21 606347537 OZQIFTTUSOXMSU-UHFFFAOYSA-N 432.698 4.916 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 617599884 WNUIVYHDQRVBSM-FQEVSTJZSA-N 439.563 4.520 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)n1 731223154 AIJSPZVEKSYKDF-RBUKOAKNSA-N 447.589 4.696 30 10 IJEE C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735232696 SUDBEEQVFHTUOB-IBGZPJMESA-N 438.698 4.516 30 10 IJEE Cc1cc(CSc2ncccc2C(=O)OCc2cc(Cl)ccc2OCC#N)no1 735340597 SYIRODUOAINRSY-UHFFFAOYSA-N 429.885 4.583 30 10 IJEE C[C@H](c1ccccc1)S(=O)(=O)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 737355476 RUZZCFNONUKKSH-QGZVFWFLSA-N 436.558 4.671 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(C[C@H](C)c2ccc(C)cc2)C1=O 737414250 GVGMKTLHRQNEEP-HNAYVOBHSA-N 429.973 4.520 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H]2Cc2ccccc2OC)c1=S 764943762 GTPZCMINCMQODF-OAQYLSRUSA-N 435.597 4.725 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@H]3CC[C@@H]3C)C2=O)cc1 795181622 CYNDSJCRJHJKCR-AGRHKRQWSA-N 441.578 4.710 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 800777430 MNEZOXDFJYLYHM-UHFFFAOYSA-N 445.995 4.592 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 804459738 YRVKLUQXVJHATK-FQEVSTJZSA-N 449.597 4.606 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccc(F)cc1 812749679 XKTPIMAPJZFCJV-MOPGFXCFSA-N 445.922 4.629 30 10 IJEE CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc(Br)cc1Br 814891728 RDDFGRSVZMTQDU-UHFFFAOYSA-N 428.515 4.968 30 10 IJEE Cc1ccc(CSc2nnc(NN=Cc3cccc(Oc4ccccc4)c3)n2N)cc1 1083933314 KZCXZTIDKLVVKD-UHFFFAOYSA-N 430.537 4.831 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)c3nn(C)c(C(F)(F)F)c3Br)c2C#N)C1 1124213148 CHDZQSGQIQFIGA-SSDOTTSWSA-N 447.280 4.512 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1cccc(Br)c1 1124533423 ACYVMEVQQGOAKP-UHFFFAOYSA-N 433.298 4.511 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 1125827177 IVABHTKDPQDOJR-UHFFFAOYSA-N 429.476 4.739 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 1126144955 CUBZIXRIGHDXLX-HHHXNRCGSA-N 439.334 4.881 30 10 IJEE C=CCN(C(=O)c1sc(C)cc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1128003771 YSOAUIDFVHGUOX-QGZVFWFLSA-N 436.371 4.622 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(C)c(Cl)cc1I 1129070667 APPQNFIIAZZULV-UHFFFAOYSA-N 438.652 4.580 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(C)(C)C[C@H]2C)c1 1129918198 ADMPVRRLOKVVDZ-QGZVFWFLSA-N 447.000 4.982 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)cc1 1142298226 CWTHHNLXXCWIJX-DEOSSOPVSA-N 435.543 4.633 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3cc(Br)ccc3C)nnc12 1188021253 GVPYDMBWILWJQI-UHFFFAOYSA-N 441.354 4.593 30 10 IJEE CC(=O)c1cc(F)cc(OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1195232877 PSQCASWAHAWHQD-UHFFFAOYSA-N 430.297 4.834 30 10 IJEE N#CCOc1ccc(NC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)cc1 1197036341 BKZAHUOJGFSTKA-LJQANCHMSA-N 428.330 4.981 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 1213840602 KOQWJSCPWDXUJH-KRWDZBQOSA-N 439.320 4.603 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 1254072468 BHTAMLDALGMDEK-ZDUSSCGKSA-N 446.338 4.661 30 10 IJEE C=CCN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1269709622 FNQDGARWHLBDPH-UHFFFAOYSA-N 433.364 4.978 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC1CCCC1 1286282006 KGQXTTQZNIDHCH-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)CN(C)C 1286439392 VHHLRHWRMLGYSZ-UHFFFAOYSA-N 439.604 4.860 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCc2oncc2C1 1286585165 CFDZSOYKKCHERF-MRXNPFEDSA-N 427.936 4.815 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ncc(CC)s1 1286591203 DVHMYONLKMTCRV-UHFFFAOYSA-N 432.391 4.939 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCC[C@H](C)C2)CC1 1286651710 JDXSLRSHSVHPQZ-VQTJNVASSA-N 441.595 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@](C)(OC)C1 1286667456 KBHQMIHSWMJNAZ-RUZDIDTESA-N 434.588 4.943 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1286684808 KRNHMIUUIKLMQR-NRFANRHFSA-N 430.618 4.896 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOC)CC1 1286695673 ZBTDQQAKMSXUTF-UHFFFAOYSA-N 446.020 4.548 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@@H]1C 1286706647 RXBWWMKOTZKPCU-ICSRJNTNSA-N 430.618 4.569 30 10 IJEE C=CCCOCCn1c(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C 1286716458 MMTHKCSKGAZRQS-LJQANCHMSA-N 436.959 4.539 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)ccc1OC 1286749451 SLJXZKVJDRLNNS-NRFANRHFSA-N 442.560 4.970 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CCc1ccc(F)cc1Cl 1286765774 JEOTYMHGOLHTJZ-OAQYLSRUSA-N 444.938 4.993 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286772587 KDMZZFRXIYFPLO-IAGOWNOFSA-N 445.995 4.914 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)C)C2)C1 1287234705 GNKMXTINVLYUQY-LADGPHEKSA-N 434.632 4.810 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 1292507874 PXVBQTAOPIAXKR-QHCPKHFHSA-N 436.987 4.772 30 10 IJEE COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1295940695 AAEPOCAQLLQWTQ-XMMPIXPASA-N 427.504 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1C 1300280342 BMKZZHPUNWMCLW-HNNXBMFYSA-N 429.387 4.892 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1300419948 WVHABMQXWCFVGM-NRFANRHFSA-N 430.955 4.795 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1300431018 RTLJHGRAZUVNIE-ZCNNSNEGSA-N 444.023 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1cn(CCCC)nc1C 1300790527 RYRMWEIJZKDQCO-XMMPIXPASA-N 436.991 4.944 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC(c2ccsc2)CC1 1301258999 CMSJCVSBLWHWOP-UHFFFAOYSA-N 428.627 4.969 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCC[C@H]1C)C1CC1 1301316462 LGWJOJSSBFBLQQ-SPLOXXLWSA-N 449.368 4.553 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ncnn1C(C)(C)C 1301371807 GLDMCNRDAXPXHP-HXUWFJFHSA-N 449.603 4.608 30 10 IJEE CCCc1nc(C)c(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)o1 1306607276 DTHIAYMSMJEOAT-RDJZCZTQSA-N 440.523 4.593 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1306726682 BELDORRVLYNBQA-RCZVLFRGSA-N 426.653 4.795 30 10 IJEE C=CCn1c(C)cc(C(=O)CSc2nnc(N3CCCC3)n2-c2ccc(C)cc2)c1C 1307276902 QOGCGMPZHVYIJI-UHFFFAOYSA-N 435.597 4.755 30 10 IJEE N#Cc1ccc(NC(=O)NCC2(c3cccc(Br)c3)CC2)cc1Br 1310712734 HVXYPIXASCULCB-UHFFFAOYSA-N 449.146 4.937 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(Cc3cccs3)n(CCc3ccccc3)c2=S)C1 1320153946 OOIWTYSZIFITLQ-HXUWFJFHSA-N 440.638 4.543 30 10 IJEE COC(=O)Nc1cc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F 1354536716 DFNMIQQUKWYUDB-NXEZZACHSA-N 430.320 4.643 30 10 IJEE CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1=O 1354662681 DKPZGDNZAYPOBA-HNNXBMFYSA-N 445.441 4.955 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(CC)s1 1358878372 VOSHXCDPIBQFGP-GFCCVEGCSA-N 435.416 4.899 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C 1359089961 SDDVQEGOUGLDTQ-RBBKRZOGSA-N 439.604 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OC)C1 1359093532 OUXKGXFBUCFGLD-PMVMPFDFSA-N 438.616 4.839 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCSCC(F)(F)F)CC1 1359168451 UYDXNHHPFSRGQY-UHFFFAOYSA-N 440.535 4.926 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359191347 WKZPPPKXTOCSGY-XZOQPEGZSA-N 438.616 4.822 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359197482 QIOGESNCYCYXKS-JXFKEZNVSA-N 442.435 4.573 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1359208708 ROUACMUUXQBKOQ-WOJBJXKFSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1359220050 MMOSILLKHSULKO-FQEVSTJZSA-N 437.632 4.751 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1csc(C)n1 1359243897 IGHFRIOYNCRZKK-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1N(C)CCCC1(C)C 1359259180 NQXDGVUVANSPHP-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)c1ccc(F)c(F)c1 1435951004 LIDVIISDZQTCRR-JTJYXVOQSA-N 440.490 4.747 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 1436683754 AHKDVTAEXUJRDT-YKSBVNFPSA-N 448.588 4.643 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 1437043719 CSZPKVYOMCDUBR-UHFFFAOYSA-N 446.326 4.793 30 10 IJEE C#C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)c1ccccc1 1437066716 BBMLLPRTJSUOPZ-ZCLKUGBOSA-N 430.592 4.667 30 10 IJEE C#CCN(CC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 1446989308 RTKKXMNYTYWSDT-OALUTQOASA-N 438.490 4.670 30 10 IJEE C#CCN(C(=O)Cc1ccc2c(c1)CCCC2)[C@H]1CCOc2ccc(Br)cc21 1456451679 UQXUDOVLINWZJY-QFIPXVFZSA-N 438.365 4.856 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](CC)Oc2ccccc2Cl)CCCN1C(=O)OC(C)(C)C 1457402665 WDPNCOUQKZYHRY-HXOBKFHXSA-N 436.980 4.959 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1nn(-c2ccc(F)cc2)c2c1CCC2 1461604424 GDLVURKUOARXDA-UHFFFAOYSA-N 440.316 4.887 30 10 IJEE CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[C@@H]1c1ccccc1 1463253030 DQLHLVUBJRWITJ-BEFAXECRSA-N 433.371 4.525 30 10 IJEE C#CCCN1CCC(NC(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)CC)C3)CC1 1465397006 XDVCKDMCTIOFSI-FQEVSTJZSA-N 431.624 4.993 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1465781086 GNSPIUTULXAADS-INIZCTEOSA-N 432.320 4.864 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1470653905 TZGDTNGAGDGIPA-XMMPIXPASA-N 446.544 4.632 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](c2ccc(F)cc2F)c2nccn2C)cc1OC 1474292175 YDYCAHLBMLABLJ-HXUWFJFHSA-N 433.886 4.804 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)cc1 1475950224 FGWLETIWZFVMPF-BJKOFHAPSA-N 430.552 4.645 30 10 IJEE Cc1ccc(SC2(CNC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CCCC2)cc1 1478086333 CJTSXWLCYQXHQA-QHCPKHFHSA-N 448.636 4.820 30 10 IJEE C#C[C@H](NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1)c1ccc(Br)cc1 1478896412 NQGIYWGDAHDVTP-IBGZPJMESA-N 434.422 4.665 30 10 IJEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507607762 CSCUOUOGXSSVLJ-XMSQKQJNSA-N 433.600 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1sccc1C 1507660499 VUTYUFXFCSZOGK-NRFANRHFSA-N 432.593 4.916 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(OCC)CCCC1 1507661200 PBWNAGAMWLGMOB-UHFFFAOYSA-N 430.596 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)c1nccs1 1507761476 HREWFXFUMAFOQN-OYHNWAKOSA-N 441.988 4.859 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CC)Cc1ccccc1C 1507802559 AXTJMLCTOYPZEQ-ILBGXUMGSA-N 431.584 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCc2ccccn2)cc1 1507815977 JQIZAXSLKQRULH-UHFFFAOYSA-N 428.540 4.698 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1507816536 OPLRZPCJXUSCAH-XFAGBWLFSA-N 445.007 4.951 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1 1507819634 UIDBLPHRQVCSBR-RBUKOAKNSA-N 449.665 4.548 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1507882143 RTYYYUCTHOCALZ-MSOLQXFVSA-N 429.996 4.711 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1507887388 CQGNBCYLMYHZOY-HSZRJFAPSA-N 437.632 4.651 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1507940913 HJEWAUMTTTXIFX-QFIPXVFZSA-N 449.603 4.572 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1507957387 YFARBBDWTHDNOR-MRXNPFEDSA-N 446.926 4.958 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2OC)n1Cc1ccnc(OC2CCCCC2)c1 1507977195 YGZOZHZDOFLSLZ-UHFFFAOYSA-N 433.556 4.731 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2ccco2)cc1 1508106312 VUXBSVUSVOGYOE-LJQANCHMSA-N 429.524 4.667 30 10 IJEE C=CCSCCn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1508168328 OTJOKQBAWZWWIR-OAQYLSRUSA-N 440.657 4.919 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 1515034853 DSVBPVNKBWQQAE-AOJNWGRGSA-N 449.551 4.695 30 10 IJEE C=C[C@@H](CC)CC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 1519942891 RYWFKWPKCNYTPU-XOBRGWDASA-N 433.321 4.987 30 10 IJEE C=CC(C)(C)CNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 1525859527 OAJWRAGWQDMFNX-XUZZJYLKSA-N 436.552 4.517 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C)c3c2CCC3)c(C(=O)OCC)c1C 1525887425 KDTBUDFALWBVOG-UHFFFAOYSA-N 427.522 4.625 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)s1 1528608889 DXZVNBCNUZZMQA-UHFFFAOYSA-N 441.962 4.556 30 10 IJEE CSCc1nc2ccccc2n1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1533606774 BNCHGQSJMSZNDN-UHFFFAOYSA-N 429.549 4.817 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)C1 1533967160 GIUHDZFHYBEINL-KRWDZBQOSA-N 425.554 4.566 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H](CCCc2ccccc2)C1 1534304568 DATWACVADRZVFR-IBGZPJMESA-N 441.369 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](SC)C(C)(C)C 1539036202 YZVVPVQBFANPCI-SQNIBIBYSA-N 449.665 4.586 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(F)F)C1 1539105006 VPGZBABJKHKZIX-ZDUSSCGKSA-N 441.295 4.742 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(C#N)o1 1539299623 LCDIJNVKGBWEKN-UHFFFAOYSA-N 445.935 4.789 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539526527 PQUKPLNQEKMUPI-KDURUIRLSA-N 448.583 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ncccc1C 1539539115 PYCDRJSTMPBYMP-HFZDXXHNSA-N 429.568 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Cl)s1 1539626063 AVFAOEVHHYCEQX-APWZRJJASA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)N(C)C1CC1 1539652008 MVLMMQICYQCXAM-MRXNPFEDSA-N 432.410 4.593 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@H]1C 1539735085 FHSOQKMSIODVAU-HUUCEWRRSA-N 437.357 4.674 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCN(C(C)C)C(C)C)CC1 1539859106 KTZVXAOXWIAJRX-UHFFFAOYSA-N 429.584 4.662 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1539890430 ODMGGWBBXFKOMD-UHFFFAOYSA-N 443.636 4.836 30 10 IJEE C#CC[C@]1(C(=O)Oc2cc(Cl)cc(Br)c2)CCCN1C(=O)OC(C)(C)C 1539898950 JRWHKOMPVAHGKS-LJQANCHMSA-N 442.737 4.801 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1539906652 RWLLRBULXUHDOW-UHFFFAOYSA-N 434.632 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1cnn(C)c1 1539923533 CBZIGGSLUQGHNX-NRFANRHFSA-N 434.588 4.555 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC)C1 1539966894 NESPLETVFWBGIV-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CSCCS1 1540057968 OCUWFCMYNJSSET-LJQANCHMSA-N 442.610 4.588 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC(C)CC1)C1CC1 1540094879 KXHJRDVXVVQJQK-QFIPXVFZSA-N 437.632 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(C)nn1C 1540139702 DVFPWYOUCFIQIF-UHFFFAOYSA-N 438.988 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N1CCC[C@H](C)C1 1540158459 IGQANBOUGCGKAK-RBUKOAKNSA-N 444.023 4.906 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccc2)nc2ccccn12 1540439147 LBCSSCHYHUXVRO-KRWDZBQOSA-N 440.931 4.976 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCC=CO2)C1 1540884384 OMQHJAXCPSZZCS-DUXKGJEZSA-N 444.963 4.546 30 10 IJEE Cc1csc([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)n1 1542847516 IAXXIRGUGWYMNB-OXJNMPFZSA-N 436.585 4.596 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2ccccc2)c2ccccc2OC)CN(C(=O)OC(C)(C)C)C1 1543248000 RHYJUEJYYWSLEQ-QHCPKHFHSA-N 436.552 4.714 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)[C@H](C#N)C1 1543734263 FWYPKISSRHVUFG-GOSISDBHSA-N 425.916 4.592 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@@H]32)s1 1544144306 CYXFSJVCJAIZGI-DOPJRALCSA-N 425.406 4.947 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccco1)Cc1ccccc1O 1545496708 XBHYEASBINYWTI-GOSISDBHSA-N 434.920 4.550 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1559307565 LCYAHZPSTCLNOV-KHYOSLBOSA-N 447.670 4.800 30 10 IJEE N#Cc1ccc(-c2ccc(Cl)s2)n(CCOc2ccc(Br)cc2)c1=O 1559430196 AFRZNDSPYXCUJP-UHFFFAOYSA-N 435.730 4.943 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 1560180666 DPWLJAOTDAXZDM-JOCHJYFZSA-N 439.600 4.546 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@H]2c2ccc(I)cc2)c1 1562370568 ISQUGPVSSHVIQH-IBGZPJMESA-N 446.288 4.672 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 1567187105 AYFWPWUNDBCHEM-NRFANRHFSA-N 446.507 4.667 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 1567637047 CGWWGYITJGTCIT-HXUWFJFHSA-N 425.504 4.606 30 10 IJEE C=CC[C@]1(C(=O)NCC2(c3ccc(OC)cc3)CCC2)CCCN1C(=O)OC(C)(C)C 1583266006 NLRAABAQIGOJFD-RUZDIDTESA-N 428.573 4.579 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccc(Cl)cc1F 1583585089 KSKOKODURJHRBA-IBGZPJMESA-N 436.899 4.893 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 1584393761 FICOLGGWUYLPOX-WBVHZDCISA-N 447.432 4.528 30 10 IJEE C#CCN(C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)[C@H]1CCCc2ccccc21 1585189167 KYOGVUZODLHGHH-SANMLTNESA-N 443.568 4.814 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cn(CCCCC)nc1C 1587604795 ZGMCQLXZIYWKNN-IBGZPJMESA-N 441.583 4.695 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1587719198 VMSLQVIYNLZHBJ-QFIPXVFZSA-N 434.540 4.838 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H]1CC 1589008520 VUECHHGGKUMWLL-UONOGXRCSA-N 439.448 4.760 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Cl)s1 1589427330 IDZRUBDXAKHYJV-UHFFFAOYSA-N 438.782 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)CCOCC 1589495929 UVKSCVNNRWZEQJ-YKSBVNFPSA-N 449.599 4.646 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1589721996 LKQHBFSUBDHYLA-QZTJIDSGSA-N 444.352 4.564 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC1(C)C 1593914197 DZAXXZYQHKAQBI-UHFFFAOYSA-N 425.758 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCO1 1594477393 CQNNLRPQVWJXCF-MRXNPFEDSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1594709525 XUESQRIMBFBGOV-VQIMIIECSA-N 445.995 4.914 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccc(F)c(F)c1)C1CC1 1595037480 GKOKDKSRUHAQLJ-UHFFFAOYSA-N 431.874 4.506 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSCC1 1595901313 SVOWFVKTEZQBCG-UHFFFAOYSA-N 432.659 4.627 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CCN2CCCCC2)cc1 1597031223 IZIZOKMWOXOQEH-JOCHJYFZSA-N 429.605 4.903 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CC(Cc4ccccc4C(F)(F)F)C3)c2c1 1612089918 BXCQJCJPGSZLFH-UHFFFAOYSA-N 427.426 4.821 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc2c1OCCCO2)c1ccc(C(F)(F)F)cc1 1621949025 BEWABMGOQSFJAX-QGZVFWFLSA-N 441.471 4.853 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc(OC)c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1623580369 RRFVBJAIMRSGKR-HXUWFJFHSA-N 429.435 4.965 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1 1624200900 BFIBLNRVEROWRQ-UHFFFAOYSA-N 447.304 4.763 30 10 IJEE C#Cc1ccccc1CC(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 1630454767 RNSCQZBKYJYIND-UHFFFAOYSA-N 434.898 4.670 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CCCN1C(=O)OC(C)(C)C 1631080552 QZRUQTKFVMUIDV-DNRQZRRGSA-N 446.563 4.586 30 10 IJEE C=CCC[C@@H](NC(=O)C[S@@](=O)c1cccc(OC)c1)c1ccc(C(F)(F)F)cc1 1631195280 RSAHQHVUKHUZNO-SONOPUAISA-N 425.472 4.645 30 10 IJEE C=CC1(CC(=O)N[C@@H](CCc2ccccc2)c2ccccn2)CN(C(=O)OC(C)(C)C)C1 1632200583 FQPDBGQTVVHVGT-QFIPXVFZSA-N 435.568 4.685 30 10 IJEE C=CCC[C@H](NC(=O)NCCn1c(O)nc2ccccc21)c1ccc(C(F)(F)F)cc1 1632773699 FEVPJCKZHPGEOA-KRWDZBQOSA-N 432.446 4.767 30 10 IJEE C=CCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C2CC2)cc(OC)c1OC 1634590260 MASWGZKTTMUCGU-XMMPIXPASA-N 437.536 4.599 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCC(C)CC1 1634854474 IIRAJYACDPYDSB-QHCPKHFHSA-N 443.632 4.784 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1(C)C 1638563075 DLJNWCQUUANDMT-NHCUHLMSSA-N 435.524 4.772 30 10 IJEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl)C(C)C 1641513487 IWAXFPPZGMIFQS-JOCHJYFZSA-N 447.000 4.871 30 10 IJEE C=CCn1c(SCC[S@@](=O)C(F)(F)F)nc2sc(-c3ccccc3)cc2c1=O 1643604965 ZWIKOVZYPKOLEL-MUUNZHRXSA-N 444.525 4.672 30 10 IJEE CNc1ccc(C#N)cc1NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O 1654565929 GODGLNGXVPBNRR-UHFFFAOYSA-N 436.686 4.704 30 10 IJEE Cc1ccc(CC2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)cc1C 1655535246 BXTOFMKANFRFCL-UHFFFAOYSA-N 447.398 4.581 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(C)c(-c3nnnn3C3CC3)c2)cc1OC 1656073621 DSLZWJGUPJVRLR-UHFFFAOYSA-N 425.920 4.822 30 10 IJEE C=CCn1ncc2ccc(N[C@@H]3CCOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc21 1660107255 KLTRJWGAONCTIQ-HXUWFJFHSA-N 426.561 4.583 30 10 IJEE Cc1cccc(NS(=O)(=O)c2cc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)ccc2C)c1 1662184313 AOFDSCPSABUFAL-SFHVURJKSA-N 448.548 4.859 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)cc1 1670567954 ALOXNTPVSDMEMT-UHFFFAOYSA-N 430.455 4.846 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1ccc(Cl)cc1F 1672616452 OWZGNABFEWGIMQ-SFHVURJKSA-N 425.813 4.853 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 1672708954 XRCSCHYZNFEEBB-ZDUSSCGKSA-N 432.318 4.855 30 10 IJEE C[C@@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H]1CCNC(=O)OC(C)(C)C 1679256755 FBOMTNZBYJCKEK-GIVPXCGWSA-N 428.577 4.756 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1)c1ccc(F)c(F)c1 1686173200 DJAJMHIZBSPFHF-RXVVDRJESA-N 435.515 4.815 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1nc(C)c(C)s1 1689973876 UDDWQAFSHOZVHS-UHFFFAOYSA-N 437.613 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)CC[C@H]1C 1690254168 YGVZYPKVBIGDSB-LVBDUCALSA-N 428.552 4.602 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)CC)CC1 1690374839 ZXBJNHDRZIIYAB-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)cc1F)C1CC1 1690538710 OAWGBPPDDQXECV-UHFFFAOYSA-N 434.288 4.517 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1OC)C1CC1 1690539635 HFKQKPULVXTKMA-QFBILLFUSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC(F)(F)Br)C1CC1 1690539847 OWDOTWAXKWBXPK-UHFFFAOYSA-N 447.711 4.750 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@@H](C)C1 1690560651 XRHZIGQRONUGII-HFMPRLQTSA-N 449.599 4.789 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1 1690600864 HKVBYOKGGPSBAI-YPAWHYETSA-N 443.680 4.886 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)C1 1692271304 CFLJXVCQBSHJOO-JTHBVZDNSA-N 434.632 4.810 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@](C)(C#N)C2)on1 1694294840 HPXSATHICYTMEZ-VWLOTQADSA-N 443.555 4.887 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1695622567 DINBTKHARKTVDP-XMSQKQJNSA-N 447.612 4.557 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1705539307 ONVKOFLUGJJERH-AABGKKOBSA-N 429.609 4.778 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1cc(C(C)(C)C)no1 1705619709 ZHADQRQBEMIMLW-UHFFFAOYSA-N 447.514 4.959 30 10 IJEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)c1cccs1 1705803480 RRIHMKOYULFFIR-KRWDZBQOSA-N 434.573 4.536 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1705945956 WAJYMNSZSNKKFX-HXUWFJFHSA-N 441.645 4.579 30 10 IJEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)C1 1706897457 CAFRDHRRHKZSFF-DVECYGJZSA-N 435.597 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](CC(C)C)C1 1722502757 UHPDUZAKDFYRIZ-NMMYMHLASA-N 442.579 4.850 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cccnc2OCC)CC1 1722575567 NVURDLFZDNADQW-UHFFFAOYSA-N 441.938 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722585838 KWPLLFRRXVPPMK-KOSHJBKYSA-N 445.007 4.975 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NC(C)C 1722661677 NWWCNVXUKDJEEQ-UHFFFAOYSA-N 444.004 4.767 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCc1cccc(C(N)=O)c1 1722664236 UJUQDZMAPCHRHV-UHFFFAOYSA-N 435.597 4.531 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCSC1 1722679186 PYPQEWRYFATFPO-QZTJIDSGSA-N 446.686 4.913 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N(C)Cc1csc(Br)c1 1722687872 QEUFHSHOBRTCRZ-UHFFFAOYSA-N 433.375 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1722692671 UCHCIHJVZJJWOP-NRFANRHFSA-N 444.023 4.809 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)C1 1722722505 PJQWVRJGJIKRAD-DPLHUUCSSA-N 445.007 4.651 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)C(F)(F)F)C1 1722722760 QZCXYNDLORPJHK-GVDBMIGSSA-N 444.542 4.567 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C)C(C)(C)C1 1722734303 BFMNYCOIRIOKJI-KRWDZBQOSA-N 428.602 4.508 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC2CCCC2)n1Cc1ccc2nsnc2c1 1723390494 HECPLTPQGBJPAA-UHFFFAOYSA-N 437.617 4.830 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCC1CC(OC(C)(C)C)C1 1729408387 CTIAKDWGSOIYGQ-UHFFFAOYSA-N 446.599 4.775 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1740576233 ZOAHUGWKCBDLHD-WOJBJXKFSA-N 445.652 4.800 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1CSC 1740722194 FLCZVCCXURSTKY-SFHVURJKSA-N 432.684 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1([S@](C)=O)CC1 1740769422 KXVUHBXNSXERPQ-LJAQVGFWSA-N 432.659 4.589 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCCCC2)CC1 1740789276 JDRZJRMGVACFRC-UHFFFAOYSA-N 437.632 4.555 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)CCOCC 1740805136 NFTRQHFBDZCWOQ-UHFFFAOYSA-N 448.192 4.976 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC2(CCC2)C1 1740806928 IXXSBEIPPYZIIL-UHFFFAOYSA-N 446.979 4.644 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(CCOC)CC2)CC1 1740820661 MJYUBDXMDZZOEM-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1C 1740856569 VODNHNMPUVFHRW-WOJBJXKFSA-N 448.615 4.811 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1740882440 LJKLDLAWXXXKKY-GHTZIAJQSA-N 437.975 4.969 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1CC 1740898582 RAQOMBWSKHRQPX-NRFANRHFSA-N 439.604 4.626 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1nccs1)C1CC1 1740907207 VQENSXWEXUEKOD-HOTGVXAUSA-N 427.549 4.972 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCN1CCCC(C)(C)C1 1740919201 YAQRQILLEVOVED-UHFFFAOYSA-N 432.616 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1Cc1nccs1 1740923828 WTHYRYVWKXJFDF-UHFFFAOYSA-N 443.548 4.906 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C(C)C)CC2)C1 1740971928 AKMUDZFMBRTSTP-RTBURBONSA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2ccco2)C1 1740999903 RCBGYGGEIPGZCK-IBGZPJMESA-N 430.961 4.689 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1748760256 XPQQCUDUGUCWKB-HSZRJFAPSA-N 446.599 4.542 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC=C(C)C 1748833784 ZPPCXIZEVGBUDT-UHFFFAOYSA-N 431.765 4.790 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCCc1ccccn1 1749089837 GGLZZKCNWRUZEU-UHFFFAOYSA-N 446.780 4.971 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749217842 CXRZPVJRGJVCJQ-NRFANRHFSA-N 448.596 4.558 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1749220253 CEILHHKSBLZEHD-GOSISDBHSA-N 441.576 4.826 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCCC2(CCCC2)C1 1749231118 FGLRLQZEQJNEBT-UHFFFAOYSA-N 430.543 4.900 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1nccs1 1749377077 KUCDXGKGPCLVLJ-IEBWSBKVSA-N 431.650 4.934 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1749381680 GVEHWPRJFHARIS-HXUWFJFHSA-N 435.572 4.557 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1749385477 RFISUQWTVOXUNV-GJZUVCINSA-N 431.584 4.629 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1749448309 YEVSITRZKHHSQY-OAQYLSRUSA-N 434.569 4.516 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC1(N(C)C)CCCCC1 1749539113 TYNDRUCSVKIONN-UHFFFAOYSA-N 430.600 4.797 30 10 IJEE Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC[C@H]2CCCCO2)s1 1751795955 GZIWFCCPFWXLDF-HXUWFJFHSA-N 436.585 4.567 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1760131452 SPDKAETYRYJOAU-XLIONFOSSA-N 445.405 4.936 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H](C)c1cccs1 1760285466 HIOVLOLUTCQUSK-INIZCTEOSA-N 430.574 4.622 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1CSC 1760302353 ANQFQEKOXVXNCW-CYBMUJFWSA-N 445.789 4.978 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(C)ccc1F 1760305466 GXIZXCPFKBCFJS-UHFFFAOYSA-N 430.325 4.641 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1760335647 PELYURRRHLZADI-XMSQKQJNSA-N 426.561 4.702 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)F)C1 1760351485 HSTQZJIBNDYJCW-SJORKVTESA-N 438.494 4.631 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@H](C)C1 1760352001 OQESPTOSTWBGCD-QGZVFWFLSA-N 432.659 4.810 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2ccco2)N(CC)CC)CC1 1760390327 DKQQFUVWVDDOAX-JOCHJYFZSA-N 437.563 4.841 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@@H]1C 1760446720 ATEFYUICYVJFRN-RBUKOAKNSA-N 448.995 4.506 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2csc(C)n2)n1Cc1occc1C 1760478619 NKRHUYHUUZIDCR-UHFFFAOYSA-N 449.580 4.785 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nc(C(C)C)cs1 1760492155 ICAQQQCUZIEZSV-UHFFFAOYSA-N 437.569 4.523 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C)[C@H](C)C1 1760568287 DVGQNQIOVUYIAO-ZWKOTPCHSA-N 432.659 4.981 30 10 IJEE CCO[C@@H](CCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(C#N)c1)C1CCCC1 1765784226 FTQOTFAHTXDUII-DEOSSOPVSA-N 446.599 4.777 30 10 IJEE COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1770968058 CWKICOMMYBSHPB-UHFFFAOYSA-N 433.959 4.930 30 10 IJEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)CC1 1771539629 FNNUVVNEHREGDG-HXUWFJFHSA-N 447.942 4.521 30 10 IJEE COc1cccc(/C=C2\SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c1OC 1772735004 DVUXLULZIYKOLV-IMYPBHDKSA-N 444.582 4.800 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 1862448015 DGAROICQSWNSKN-LJQANCHMSA-N 426.856 4.769 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1c(Cl)cccc1Cl)c1cccc(Cl)c1 1862451452 GLXZYSSGUARERS-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(OC)c1 1862470750 VNKUANGUIDQWEJ-ORAYPTAESA-N 444.325 4.835 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1Cl 1862491292 PIQPEBKRHYQYQR-JOCHJYFZSA-N 440.971 4.877 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)ccc1O 1862549713 VODBWSNYTGIPSE-XMMPIXPASA-N 447.531 4.801 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862602901 NCXNHVDXJXHXNA-XMMPIXPASA-N 441.483 4.736 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC(C)C)c1 1862644215 GEMOSVVWYYWABP-QFIPXVFZSA-N 441.499 4.857 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862709577 ZHTFQMDNZOSQNE-XMMPIXPASA-N 443.499 4.872 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)c1 1862736875 POQCGIBGTSOSCE-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(F)c(F)c3F)C2=O)c1 1862935096 RVLQYERJPHTXFD-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(CCCc3ccccc3)C2=O)c1 1863316457 WQRXXLQKDVCOCD-UHFFFAOYSA-N 443.453 4.661 30 10 IJEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(CCCc2ccccc2)C1=O 1863501756 VPMFQTLBRCROSM-UHFFFAOYSA-N 446.510 4.864 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1ccc(Cl)c(Cl)c1 1870146575 XNDXAIIZWJAOKA-SNVBAGLBSA-N 436.686 4.505 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN(C)C 1870512483 CTWCWYJWXJWRCD-UHFFFAOYSA-N 435.653 4.688 30 10 IJEE CCCCCCCCn1cc(OCCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870658878 WFSIVQIVNXUBRQ-UHFFFAOYSA-N 440.632 4.715 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1ccccc1C 1871166448 ZAANIZVUSSQXMQ-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(N(C)C)c1 1871219359 HNMXLQQPMPQQNG-UHFFFAOYSA-N 447.579 4.869 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2F)cc2c1C(=O)/C(=C/c1ccco1)O2 1871443521 VSEDISBBYCTIOC-IUXPMGMMSA-N 429.350 4.639 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cccs1 1871984084 MQWGWYSFUPAANL-FQEVSTJZSA-N 434.627 4.985 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871997227 KYDFHILGOJCSQG-XMSQKQJNSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(OC)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872330061 FDSGRBZIFUNCNO-JPYJTQIMSA-N 444.597 4.542 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(C)ccc1C 1872354046 ZORXSHVWYIBWQQ-INIZCTEOSA-N 440.487 4.526 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872410765 IDJRVHHJISKGHL-OAQYLSRUSA-N 444.597 4.605 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872452492 DLAUZHCPOMLOJI-GOSISDBHSA-N 441.018 4.940 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccccc1 1872550714 BARDYJKZRBDSMH-HSZRJFAPSA-N 428.598 4.924 30 10 IJEE CCCCCCCCCCNC(=O)Cc1nonc1OCCOc1ccc(Cl)cc1 1872653981 IWYPVMJHPNHBTP-UHFFFAOYSA-N 437.968 4.980 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 1872766016 BFFBMQXLYKYLFQ-OAHLLOKOSA-N 428.813 4.770 30 10 IJEE CS(=O)(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 1872775092 JXVJKJBHZLUAEJ-HXUWFJFHSA-N 447.541 4.825 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCCCCCCO)ncnc21 1873642920 QQUCZNYECOVOJO-UHFFFAOYSA-N 441.963 4.796 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccn1C 1874196534 OXPUXZCLMPNUQB-BUVRLJJBSA-N 439.585 4.662 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874381373 PISYXQNBCQDZPO-FSJBWODESA-N 432.908 4.536 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 1874450914 NDCVXARUHULTOY-DOUQRPAJSA-N 428.945 4.972 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1sccc1C 1874509935 CNWPSRCJODQOCA-WSDLNYQXSA-N 427.599 4.947 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cccc(Cl)c1 1874529056 PRERXQHXCYSXKA-FSJBWODESA-N 427.961 4.724 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(C)nnc2SCc2c(Cl)cccc2Cl)cc1 1874533682 WJIUSHXCLCIIFA-LSHDLFTRSA-N 435.336 4.854 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCC(=O)N(CC)CC 1874612582 BJLMULWHGHTIJU-FMIVXFBMSA-N 443.490 4.845 30 10 IJEE Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC(Oc2ncccc2C#N)CC1 1890571525 PJZSDSXFTYZDKB-UHFFFAOYSA-N 438.940 4.722 30 10 IJEE N#Cc1ccccc1[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 1894492038 FWXSLAUGFXHXLL-DNQXCXABSA-N 438.483 4.607 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)[C@@H](C)C1 1949368275 ZELMYCRNLOFEKN-OFVILXPXSA-N 428.621 4.512 30 10 IJEE C=CC[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1I 1969551098 JGQLXOUUKGFBQT-HZMBPMFUSA-N 434.115 4.528 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)C1CCCC1 1984693761 CUSUBTLFEOJSIB-RUZDIDTESA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)C1 2181155624 OYGLEQURNIKRNB-HIFRSBDPSA-N 436.350 4.590 30 10 IJEE CCN[C@H](C#Cc1ccc(Cl)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216913660 MPBWDXJIMYBNGC-PKTZIBPZSA-N 442.987 4.780 30 10 IJEE O[C@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)o1 2220254159 CDFHLPVWBGSSQV-LLVKDONJSA-N 434.909 4.652 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]1(CC)CCCN1C(=O)OC(C)(C)C 2235729146 MNSMCMPPPASOBB-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235732865 SPDVJJPKZQFKNM-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](O)C#Cc3ccccc3Br)CCCC[C@@H]12 2235735592 UINLADWBDKWGOW-XQBPLPMBSA-N 434.374 4.731 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2235745202 BJGRRSMAZOWJKF-NSHGMRRFSA-N 435.406 4.862 30 10 IJEE CCc1ccc(C#C[C@@H](N)c2cc(I)ccc2Br)cc1 2239644098 YTUOOWAUOUPLJU-QGZVFWFLSA-N 440.122 4.668 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3cccs3)s2)OC1(C)C 2247865630 XVWFFXGEBVSEOA-UHFFFAOYSA-N 439.411 4.951 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCCN(C(=O)OC(C)(C)C)C1(C)C 2261831629 HURBTLQUJIYDHU-RUZDIDTESA-N 447.572 4.799 30 10 IJEE COc1cc(C=C2SC(=Nc3ccc(Cl)cc3C(F)(F)F)NC2=O)ccc1O 2296154650 RRPXUYVLEGMNMV-UHFFFAOYSA-N 428.819 4.965 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](O)C#Cc1cccc(Br)c1)c1ccccc1 2296218793 IDIMLIFDRUCZFI-WOJBJXKFSA-N 430.342 4.818 30 10 IJEE CCOc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296606464 BQSUYNZWWMXDTC-FQEVSTJZSA-N 438.867 4.661 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322114903 UFANTTKUUFIFEB-UHFFFAOYSA-N 445.563 4.678 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2ccccc2)c1OCC(=O)OCC(C)C 2322545912 HAXZLYSBYYNMED-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2323792130 QYTLABNEOBYYJN-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)NCc1ccco1 2323896095 MRNWOBQIKOAOIX-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 2324974547 LRGHHOUIJYXSIJ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2325117884 MFWMEANVXGGNCP-UHFFFAOYSA-N 430.884 4.613 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2325383023 IDOVZQVZRHPCLZ-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326296360 QPTZAALYIFAIGB-UHFFFAOYSA-N 430.961 4.994 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc2c(c1)OCCO2 2326900796 HSJADIHPFWYLGM-UHFFFAOYSA-N 438.597 4.802 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)cc1OC 2328798653 FNZLDEVITPEDLD-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C=Cc1ccc(C(C)C)cc1 2330390234 DJGOKLJTEADCPN-VWLOTQADSA-N 434.555 4.890 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)c(OC)c2)c1 2330800132 UBSGWFGJJNSRNK-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)c(OC)c2)c1 2330800434 MOZLDQSXYHHCSG-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(C)cc2)o1 2330839734 VNBPLSIRAZVVSP-UHFFFAOYSA-N 426.542 4.729 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2C(=O)O)c1 2330961363 GNIRBLICCUKPIC-FQEVSTJZSA-N 436.537 4.619 30 10 IJEE COc1ccccc1CC(=O)Oc1c(OC)cc(C=CC(=O)c2ccccc2)cc1OC 2331163182 GEKHGIRECWEYJS-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccccc1OCCC 2331348547 HGKPKVXFQWENAY-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccc(C)cc1 2331405075 NJLXMPIXPRGDJZ-UHFFFAOYSA-N 444.483 4.819 30 10 IJEE C[C@H]1C[C@@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339542190 XUTZEDKKYFJOOB-HKUYNNGSSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2339603757 FPNNIMZRKLVAEK-BJRSVTDJSA-N 442.365 4.647 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2358671035 DQKZKVDRROBEGU-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 2360197855 WVZWKEDCVNGVFV-NMLACTOBSA-N 435.406 4.718 30 10 IJEE C[C@](C#Cc1cccs1)(OCCN)c1cc(Br)c(Br)s1 2363628315 YPKBJGIDUDNNRX-CQSZACIVSA-N 435.206 4.577 30 10 IJEE Cc1cc(CN2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369730029 USYIZJPGFTZQPW-RJGXRXQPSA-N 448.460 4.778 30 10 IJEE C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nc2ccccc2c1=O 25512145 WYIXTDHJXCVWAW-UHFFFAOYSA-N 444.438 4.944 30 10 IJEE Cc1c(C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c(O)n(Cc2ccccc2)c(=O)c1C#N 38619796 JSAXPSOKXXUZBJ-GOSISDBHSA-N 430.504 4.556 30 10 IJEE CCCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1O 38623384 MADPLJAKESWJNP-GOSISDBHSA-N 430.504 4.753 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)cc1 59014799 LOZZFFVPCXXCNI-XMTZNVEYSA-N 426.521 4.634 30 10 IJEE Cc1c(/C=N/Nc2ccc([N+](=O)[O-])cn2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 59565569 DIHAMXKKYOPHBD-ZMOGYAJESA-N 430.424 4.655 30 10 IJEE Cn1c2ccc(Br)cc2c2nnc(N/N=C/c3c(F)cccc3Cl)nc21 64981192 QNYQIJDNHWPUMV-ODCIPOBUSA-N 433.672 4.518 30 10 IJEE C=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 66062516 DQVKYPXSBBEHLS-LJQANCHMSA-N 429.520 4.793 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](COc2nc3ccccc3n2Cc2ccccc2C#N)C1 95084108 CTQTUMARTQMGOC-GOSISDBHSA-N 432.524 4.592 30 10 IJEE Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 103220408 JJLLUPBOYYXTQG-HOGKFDNTSA-N 428.444 4.525 30 10 IJEE N#C[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(F)cc1F 111029459 IMWJXSURLMCXKA-KRWDZBQOSA-N 431.851 4.927 30 10 IJEE CCOc1c(Cl)cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1OC 169934860 MESKIOUWKQXSPO-LJQANCHMSA-N 430.957 4.765 30 10 IJEE COc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1 169936705 CZTLCMGRXJOASM-OAQYLSRUSA-N 430.957 4.652 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(O)cc2)cc1C 169960144 ZKZLQONPQUKHKU-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccc(OC(C)C)c1 169979930 OXJZYWSKPYTWQA-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccncc1 170019428 BSWFZPZXUFZIPM-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccc(OC)cc1 170116177 CXDZZRJGICLDLH-IBGZPJMESA-N 444.325 4.754 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccs1 170162752 SGLXDMVSLVLVLF-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)c1 170175029 PEBDGLLABHWMEJ-HSZRJFAPSA-N 444.487 4.666 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)c1 170218835 DSQCKTVULYWJAT-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 170241153 SLUXWDCLMQVWEP-JOCHJYFZSA-N 435.451 4.986 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(CC)cc2)c1 170265718 URCWMSFPAZCCFF-VWNXMTODSA-N 449.547 4.795 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1cn(C)c2ccccc12 170269201 LSVSCFHXKOTSPO-QHCPKHFHSA-N 448.519 4.574 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)c1 170297195 CHJJRBNGZZHUSS-XMMPIXPASA-N 443.499 5.000 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccc(C)o1 170308436 YXPKHITZRVQBAP-NRFANRHFSA-N 441.524 4.509 30 10 IJEE CCOC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)cc1 170372030 JLJSKHSYVIRGIY-QFIPXVFZSA-N 447.512 4.637 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccc(OC)cc2)c1 170419670 OFUSKEJFNOTAKM-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CC)cc1 252604844 GEKLBJJAUXFYBV-IBGZPJMESA-N 425.554 4.682 30 10 IJEE COc1cc(C=NNc2nc(C)cc(O)n2)ccc1OCc1cccc(C(F)(F)F)c1 254711813 UIMXIOPWUOCHIF-UHFFFAOYSA-N 432.402 4.543 30 10 IJEE Sc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Br)cc2)o1 254874457 GOMLIUDEJIUTAL-UHFFFAOYSA-N 445.298 4.644 30 10 IJEE N/C(=N/Cc1ccc(Br)cc1C(F)(F)F)Nc1ccc2c(c1)OCCCO2 305740526 NEWQWSSBLCLXEI-UHFFFAOYSA-N 444.251 4.556 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 472961404 VFTFOGFRMOMRGK-BVGQSLNGSA-N 449.860 4.733 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Nc2nc(C)cs2)CC1 474817158 MDOQGJPTFIOFHN-UHFFFAOYSA-N 425.476 4.752 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C 477841396 GSLONIOAGAGLKJ-XDHUDOTRSA-N 425.488 4.647 30 10 IJEE CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccc(F)cc1 489616830 AZVWJPWSOLCJEC-JXORXQGFSA-N 429.565 4.516 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 500613772 WXHBMMCXKTXIOL-YADHBBJMSA-N 447.986 4.790 30 10 IJEE CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@H]21 504242436 ZBPYCSQAPDWGIA-MTPWMDRRSA-N 428.532 4.743 30 10 IJEE CC[C@H](C)Sc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(C(F)(F)F)c1 505024685 OMODNZTWTPJLOI-ZDUSSCGKSA-N 427.492 4.687 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508846137 FNYGTTRMQOJEMH-CQSZACIVSA-N 430.915 4.814 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 518994688 GWGYOKDTDSBELV-UZLBHIALSA-N 439.585 4.721 30 10 IJEE C=CCN1CCC(NC(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)CC1 524252679 VPDBAUXSBLYFEC-UHFFFAOYSA-N 444.373 4.800 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526514311 CUWIOPWEBCHJSM-DEOSSOPVSA-N 442.471 4.815 30 10 IJEE Cc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(Br)ccc1O 526812227 JUZHUDMVBIDMLN-UKWGHVSLSA-N 437.750 4.883 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2c(OC)ccc3ccccc23)c1 526826595 XMPJOJVOTNCSOE-QFEZKATASA-N 446.532 4.709 30 10 IJEE COc1ccc([C@H](NC(=O)Cc2cccc(C#N)c2)c2ccccc2)cc1Br 530675152 LSSQFFGZDNUYEZ-HSZRJFAPSA-N 435.321 4.778 30 10 IJEE C=CCn1c(Sc2nccc(OCc3ccccc3)n2)nnc1-c1ccccc1OC 534063380 HNWJHCFBKNSUHQ-UHFFFAOYSA-N 431.521 4.660 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(Oc2cnccn2)CC1 569142707 XLLOXCQFOKGBSY-UHFFFAOYSA-N 426.524 4.512 30 10 IJEE C=C(COCCC)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693641099 UTPPTPNRAXGRQV-OZXSUGGESA-N 445.648 4.507 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1cc(Br)c2c(c1)OCO2 698824558 MDABOJXNUCPZBR-NSHDSACASA-N 437.212 4.542 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 731114141 HFNUVVFSTZCJLY-INIZCTEOSA-N 432.590 4.707 30 10 IJEE C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 754007822 QRVVMFWCNJQJGS-JLHYYAGUSA-N 437.506 4.652 30 10 IJEE C=CCSCCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 765327917 ZXHCELUTAWGZKY-UHFFFAOYSA-N 439.837 4.828 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)[C@@H](C#N)C(=O)N[C@@H](CC)c3ccccc3)c2)c1C 787046465 PZPIMMRFTIJLNY-RPWUZVMVSA-N 428.536 4.642 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cccc(OCCCC(=O)O)c1 814770089 QFUARWBECMRVSZ-UHFFFAOYSA-N 432.402 4.728 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1142303185 AYVNLMQUAZDYJZ-UHFFFAOYSA-N 435.524 4.891 30 10 IJEE C=CCc1cc(C(=O)NCc2cc3cccnc3cc2Br)cc(OC)c1OC 1151526435 KMZRMBSXBHWYIP-UHFFFAOYSA-N 441.325 4.673 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1ccccc1 1151694743 MDMVXEGFZRCCBC-HXUWFJFHSA-N 426.563 4.986 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(Cc4ccc(Cl)cc4)CC3)C2)c(F)c1 1151974836 BTZCUWDTVMYHSQ-FQEVSTJZSA-N 425.935 4.658 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Br)cc1 1159634044 IOGBIWIEJOPKFZ-RTBURBONSA-N 443.341 4.506 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 1159779165 QOPCRIZVTKISPE-VXKWHMMOSA-N 438.955 4.728 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCC(=O)c1ccc(I)cc1 1161580048 CDHOTUNOBYHRRA-LJQANCHMSA-N 447.316 4.558 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(Cc2cccc(F)c2)C[C@H]2CCCO2)ccc1Cl 1167263946 GJBRLTKSEFOPCX-JOCHJYFZSA-N 443.950 4.715 30 10 IJEE C=CCN1CC[C@H](Sc2nc3sc(C)c(C)c3c(=O)n2-c2cccc(C)c2C)C1=O 1188269317 SDRIIJDOOOBRRW-SFHVURJKSA-N 439.606 4.560 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 1201929534 NDLSQFYZLDPHMI-UHFFFAOYSA-N 444.963 4.733 30 10 IJEE C#CCN(C(=O)Nc1cc(C)c2c[nH]nc2c1)[C@H]1CCOc2ccc(Br)cc21 1202179211 DIWBOLWQOPQZJQ-IBGZPJMESA-N 439.313 4.625 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(F)cc(OC)c1 1224309445 AGMHUSVULKEYCR-UHFFFAOYSA-N 425.273 4.634 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1225867491 HLZXNAVNFKMIBF-FQEVSTJZSA-N 448.405 4.641 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1)[C@@H]1CCCc2ccccc21 1229370253 IUAQCIDIOYWPSV-DYESRHJHSA-N 430.508 4.529 30 10 IJEE C=CCOc1ccc(OC(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)cc1 1265464241 DSRIAFQCQILQSR-UHFFFAOYSA-N 444.871 4.510 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1 1272483054 BQDRKVCXMUIWIS-JOCHJYFZSA-N 426.472 4.699 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1286273274 HNSDFUKFLPRQDZ-KRWDZBQOSA-N 425.577 4.623 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCC(F)(F)C1 1286400059 VBSXNTFOVCQVTO-OALUTQOASA-N 444.501 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](OC)[C@@H](C)CC 1286518973 OHSKBTOEXPOOBN-MWRIXTAVSA-N 428.552 4.610 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccco1 1286536455 ZVWMJBHRHRSOMX-KRWDZBQOSA-N 429.318 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC(F)(F)CO1 1286570661 DTHFLLZLVAOTSA-CQSZACIVSA-N 441.320 4.534 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 1286612170 WKEMRPAYTMZOOU-UHFFFAOYSA-N 435.399 4.945 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1286616988 GLKWAXGVFUAZDO-UHFFFAOYSA-N 436.991 4.627 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1286639690 CZWGIVGMSQJPQF-GHTZIAJQSA-N 425.533 4.605 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1286670616 HTOVIXBEFBLOIJ-TZIWHRDSSA-N 426.605 4.938 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286693903 FTFOUVXNOOKNQM-JOCHJYFZSA-N 435.616 4.800 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1286746945 GLZYPRMKUOBYHY-ROUUACIJSA-N 431.606 4.515 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(F)cn2)cc1 1287629221 ANGABROGMFJDSX-GOSISDBHSA-N 436.535 4.691 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 1288101239 HQQKZQYDLGRIDO-QHCPKHFHSA-N 431.540 4.522 30 10 IJEE C=CCOc1ccc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1OC 1294649455 KOSIDAFKYBUZMZ-UHFFFAOYSA-N 426.513 4.580 30 10 IJEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1)C(C)(C)C 1299714581 FSEKIEPBLSDZQA-JOCHJYFZSA-N 439.604 4.662 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1300419632 PYRFHKHZYZQMNI-LEWJYISDSA-N 443.636 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCOC[C@H]1OC 1300905031 JOTIUWVLVYNIST-VQTJNVASSA-N 444.645 4.729 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)CN2CCCC2)CC1 1301114157 KWAKBHUVZCKHIV-SFHVURJKSA-N 444.023 4.741 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3C[C@@H]3CCOC[C@@H]3C)cc2C1 1304980255 FFGXQCXYWBBHOU-XDNAFOTISA-N 427.618 4.542 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1OC 1308863157 KMNRYMKCLYOBOS-XMMPIXPASA-N 427.928 4.913 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2CCC2CCCCC2)cc1 1310130153 DWGJNQBEHRYMOB-NRFANRHFSA-N 433.618 4.850 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1 1311617442 PAJVGGKTLRRLMY-SJKOYZFVSA-N 449.732 4.608 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@H](C)C1 1314219258 COCZMCZNLSTEIG-FPOVZHCZSA-N 437.588 4.822 30 10 IJEE C=CCN(C(=O)c1cccc2c1OC(F)(F)O2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350510283 PGIYJNDYQSSARK-UHFFFAOYSA-N 445.403 4.873 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1352369111 KWVKKJVVYHWPIF-UHFFFAOYSA-N 434.945 4.537 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccccc3OC)cs2)CCCN1C(=O)OC(C)(C)C 1353460058 LHVAWNUEANVFDL-HSZRJFAPSA-N 441.553 4.550 30 10 IJEE N#Cc1ccc(OCC(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1Br 1358105097 BGYOPVKWEFIFRC-UHFFFAOYSA-N 429.289 4.697 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)c1nccs1 1358876339 HSZYLTFPSHGHOH-STQMWFEESA-N 448.365 4.565 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCCC2)C1 1358929225 VHCVJAWNVZTYMU-UHFFFAOYSA-N 441.620 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCC1(F)F 1358986944 MESQLFHPZBGSMV-FQEVSTJZSA-N 448.521 4.624 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)C1CCCCC1 1359002260 TUUXWRRGJPQPIM-AREMUKBSSA-N 431.584 4.593 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCCC[C@@H]1C 1359007747 UQIFJJDRHYHPPN-NRFANRHFSA-N 446.599 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1ccsc1 1359066920 UXKOEJOJCAKIRP-GOSISDBHSA-N 433.400 4.871 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCN1CC 1359109115 PUESDSXKCXKQQL-FQEVSTJZSA-N 446.437 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@]1(C)OCCc2sccc21 1359114698 UZCDLCVDZSDCSA-XMMPIXPASA-N 440.588 4.960 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1359224481 SQRKQDKCLXKFNF-OAHLLOKOSA-N 439.387 4.848 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cc(C)on1)C1CC1 1359253586 LVAPAXKQLBUDRK-UHFFFAOYSA-N 434.327 4.663 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@H]1N(C)CCCC1(C)C 1359260572 ISLBYDJADQEGRF-QFIPXVFZSA-N 425.596 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1ncc(C)s1 1359273417 ZLQSQBJCHGVANW-OAHLLOKOSA-N 429.540 4.894 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCc2ccc(OCC)cc2C1 1359344861 KXFNILGTUFKXEX-UHFFFAOYSA-N 426.630 4.891 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)C(F)(F)F)cc1 1436240828 XEOUBFDXAAHPPZ-SFHVURJKSA-N 431.389 4.972 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3c(ccc(OC)c3OC)[C@H]2CC)cc1OC 1437385858 GLASDLNTLOWSLK-NMIMRFFTSA-N 437.536 4.826 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(C(F)(F)F)cc(Cl)c21 1439108038 VXKYLJOQOQKOTB-UHFFFAOYSA-N 437.849 4.860 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4cccc(C)c4C)nc3)cc2C1=O 1456426621 DNAPBJLELUSKGJ-UHFFFAOYSA-N 427.460 4.525 30 10 IJEE CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccn1 1456641117 GWVZQQSBTLUZPV-GOSISDBHSA-N 433.508 4.869 30 10 IJEE C=CCN(Cc1cc(I)cc([N+](=O)[O-])c1)Cc1ccccc1F 1459351063 ZZOKVVGNDHJNBB-UHFFFAOYSA-N 426.229 4.527 30 10 IJEE C#C[C@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(Cl)cc1F 1460792956 ZBYLOHBWAFAZJI-IBGZPJMESA-N 426.900 4.575 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)c1 1464437388 AXTHKEBWIMECJR-UHFFFAOYSA-N 444.459 4.583 30 10 IJEE Cc1ccc(-n2c(SCC(=O)NC[C@H](C)C#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1465201575 DSDOSTCYPGNTMZ-GOSISDBHSA-N 447.608 4.908 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 1467724641 GXGQRVIAJZRHSY-UHFFFAOYSA-N 430.596 4.795 30 10 IJEE C=CCn1c(S[C@H](C)c2nccc(N)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472970712 HNPGILTVQNRANH-CQSZACIVSA-N 435.578 4.845 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](c1ccc(SC)cc1)N(C)C 1474157654 NJXTTWWNHXWCCR-HXUWFJFHSA-N 433.415 4.576 30 10 IJEE COc1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)ccc1OCc1ccccc1 1474195617 BYVZNKISBPLNFM-UHFFFAOYSA-N 441.575 4.900 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)cc1OC(F)(F)F)c1ccc(F)cc1 1476535491 LNDGHVMNFYFBRH-CYBMUJFWSA-N 431.183 4.983 30 10 IJEE CS[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)C(C)(C)C 1505177894 CWXJDRWWFVEQFJ-WMZHIEFXSA-N 429.609 4.916 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1507532838 NGTYXHCYCRPGLV-RTBURBONSA-N 431.625 4.677 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccccc1C(C)C 1507548436 UNYFRYASOMPMDG-KJXAQDMKSA-N 438.616 4.857 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1507569154 CXKPVEBNGUVNNM-HSZRJFAPSA-N 436.600 4.530 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1507570787 JKPTUGPNPUZHAH-OAQYLSRUSA-N 428.552 4.584 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C1CCCCC1 1507576207 JVOSTJMQHZEILD-UHFFFAOYSA-N 431.378 4.899 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1507577580 RIJIBKYEIAZDNC-YLJYHZDGSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1507580792 KWLCMRSYHZXBEW-HXUWFJFHSA-N 449.002 4.508 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H]2CCC[C@@H]21 1507790378 HZOABZOASDMXKW-MSOLQXFVSA-N 431.378 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=CCC1 1507806153 OPXMPFGYWFPVMV-JTAQYXEDSA-N 438.572 4.564 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1507826822 DTPMTSYLEYVKOI-PMUMKWKESA-N 440.535 4.864 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](CCC)OC)CC1 1507898285 PYJBQDSOXNWMGD-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1507904310 MGHUELSFHIBZNK-OZXSUGGESA-N 438.616 4.822 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCSC2(C)C)CC1 1507906022 ZKOAXHWATZVALF-HXUWFJFHSA-N 426.630 4.834 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCCC2(C)C)CC1 1507908821 HHGXYFBAWONIRH-AREMUKBSSA-N 438.616 4.818 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC=C(COC)CC1 1507927191 YNDLPUXDGLZYMR-UHFFFAOYSA-N 449.368 4.986 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CCCC1 1507979180 OVUSAERANWXBMC-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nc(C)cs1 1508008295 MPRKZQAMVDQYCP-FUHWJXTLSA-N 443.642 4.995 30 10 IJEE CC(C)COc1ccc(C2(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CCC2)cc1 1519793631 HPQFNODMADOENU-UHFFFAOYSA-N 447.579 4.916 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCC(C)C)C2CC2)CCOCC1 1519914715 DOUJJFNBPGNLRA-UHFFFAOYSA-N 439.629 4.744 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F 1521409888 FGWPOSNSQPWZGU-LBPRGKRZSA-N 427.394 4.918 30 10 IJEE Cc1cc(NC(=O)COc2cccc(C#N)c2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F 1524039098 ABOCCAUJPCJQCL-KRWDZBQOSA-N 431.467 4.514 30 10 IJEE C=CCN(C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524296414 RCGMETRBZLFEIJ-IAGOWNOFSA-N 443.525 4.605 30 10 IJEE COc1cc(C#N)ccc1C(=O)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 1525610933 CYWIZMXESVPKCS-UHFFFAOYSA-N 445.704 4.553 30 10 IJEE C#Cc1ccc(CNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)cc1 1526402789 ANHGOKKBUVXFOC-UHFFFAOYSA-N 443.856 4.945 30 10 IJEE C#CCN(C(=O)Cc1cccc2ncccc12)[C@H]1CCOc2ccc(Br)cc21 1531552544 DHJYIQHETMNLRI-NRFANRHFSA-N 435.321 4.525 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)c2c(c1)OCO2 1536694524 MYMSOILSOWVCJF-UHFFFAOYSA-N 426.669 4.799 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(c2nc(C)no2)CC1 1539053744 ZHLMYEQLKPXIPX-JOCHJYFZSA-N 432.572 4.699 30 10 IJEE C=CCOc1ccc(OC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1 1539143014 WFQHBJBJOYCORA-SFHVURJKSA-N 437.517 4.510 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccccc1 1539185331 CAKSHYVCPTUICX-JGCGQSQUSA-N 445.544 4.947 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@H]1C 1539499064 CHKCIQSPLSCUPY-GOEBONIOSA-N 433.419 4.617 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1539710706 WYYILQCJHUGIGX-HXUWFJFHSA-N 444.366 4.725 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1539785743 ASOWLOGILBWUFZ-QGZVFWFLSA-N 428.920 4.958 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1539894607 NPZFPQMYIZFSNL-GOTSBHOMSA-N 435.660 4.976 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C(C)(C)C)no2)CC1 1539896066 GQIHEHFFKNDAQP-UHFFFAOYSA-N 439.535 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1539900101 HNLXEGLGWBIQLF-LJQANCHMSA-N 439.604 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539912108 CQEQUVXZKQLNNQ-ZWKOTPCHSA-N 442.608 4.615 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)SC 1540127792 UYGUIYLJJRZAKX-HNNXBMFYSA-N 446.418 4.980 30 10 IJEE C=CCNc1ncc(C(=O)N(Cc2ccccc2)[C@H]2CCOc3ccc(OC)cc32)s1 1544833305 LXTPVLOZSCLKNU-FQEVSTJZSA-N 435.549 4.916 30 10 IJEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccs1 1547489304 CBHMMUQGCCUCSZ-NRFANRHFSA-N 434.613 4.952 30 10 IJEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1555450173 HOUMXOWPLCSLNL-IHPCNDPISA-N 447.505 4.973 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccccc2F)nc2sc3c(c2c1=O)CCCC3 1559330674 KJZNIKROYNJQDB-SFHVURJKSA-N 444.553 4.668 30 10 IJEE C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Br)cc1 1559706988 FONKAABCJDACGO-CYBMUJFWSA-N 432.387 4.940 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CC1 1563758657 ABSGNNOUQRCLLB-UHFFFAOYSA-N 436.987 4.945 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(C)c(OCCC(C)C)c3)ccc2c1=O 1565842812 VJSJRXSVZGSTRU-UHFFFAOYSA-N 437.565 4.857 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccc(Cl)cc1F 1568898258 OTYRTUNCLIHZOJ-RHSMWYFYSA-N 439.701 4.630 30 10 IJEE C=C[C@@H](C(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1)c1ccccc1 1583317638 XCQCIUHFHRLDNB-RUZDIDTESA-N 428.532 4.641 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1589243259 YYQJAWJYMBCFHI-SZEHJLNQSA-N 449.643 4.586 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(C)C[C@H]1CC=CCC1 1589449886 UHUHSOJAECYTIZ-KRWDZBQOSA-N 447.377 4.567 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1589721810 DLRCSRSHTHBNBR-QZTJIDSGSA-N 432.515 4.766 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1593605211 LDAULQQNNPOZLH-QGZVFWFLSA-N 425.945 4.686 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)OCC)CC1 1594070887 QBCBODZCXWMHFN-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1594128342 PPJNVKBAFDVUHJ-UGKGYDQZSA-N 428.552 4.748 30 10 IJEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1594961622 DHIVGSCONBRWKA-DUXKGJEZSA-N 440.588 4.643 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCN1CC)C1CC1 1595034121 WOLBMDDNJFJRPR-HXUWFJFHSA-N 444.421 4.737 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1nc(C(C)C)cs1)C1CC1 1595058131 BJDFBDHUTKEPFB-UHFFFAOYSA-N 429.540 4.930 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2c2ccc(OC)c(OC)c2)nnc1C(C)(C)C 1595905358 IHUZUMGJQLQYFD-GOSISDBHSA-N 430.618 4.854 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)CN2CCCCC2)c2ccccc2n1 1611933482 GHWYZLJCMSAFJA-TZIWHRDSSA-N 445.615 4.662 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 1613136133 PBDAXIYWHSQWKQ-QGZVFWFLSA-N 435.332 4.896 30 10 IJEE C=CCn1c(SCCOc2ccc(C#N)cc2OC)nnc1-c1cccc(Cl)c1 1613654591 HKVOSLSZLFYRTD-UHFFFAOYSA-N 426.929 4.836 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 1614709848 ATQPEOHOTAHAEY-HXUWFJFHSA-N 428.374 4.633 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3[C@@H]3CCC[C@H]3O)c2C#N)C1 1618076223 CINICOHNCXGEAY-XRULBBBTSA-N 443.657 4.725 30 10 IJEE CO[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)CC#N)C1CC1 1618973873 HLZXDUYGAWSWMJ-CJNGLKHVSA-N 429.977 4.977 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](COc2ccccc2)c2ccccc2)c(C(F)(F)F)c1 1621769203 CDVYGLZSYAREEJ-FQEVSTJZSA-N 446.450 4.676 30 10 IJEE C#C[C@@H]1COCCN1C(=O)Nc1cc(Cl)ccc1Oc1cccc(Br)c1 1624862113 JSOGFBLDCDJAMO-OAHLLOKOSA-N 435.705 4.761 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 1642465363 RSZACOAMYXTLGA-HSZRJFAPSA-N 431.923 4.543 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 1642540820 MUTOTSMQACBUHW-YRSZXAOTSA-N 444.641 4.859 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C12CCC2 1643983485 GATRPAAXJVDGOD-FGZHOGPDSA-N 447.535 4.916 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)C1 1645063854 FKWFFHYQDQAPFE-GOSISDBHSA-N 447.000 4.589 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1 1646334494 VAOOOWPQFWRWIU-QGZVFWFLSA-N 437.927 4.734 30 10 IJEE C=CCn1c(SCc2cc(O)nc(-c3ccccc3)n2)nnc1-c1ccccc1OC 1656025552 OAAYHTWRLPPGEZ-UHFFFAOYSA-N 431.521 4.595 30 10 IJEE N#Cc1ccc(C(F)(F)F)n(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1=O 1656831347 FJSYZXHKZKVMCJ-UHFFFAOYSA-N 447.800 4.823 30 10 IJEE COC(=O)c1ccc(COc2ccc(CN[C@H]3CCCc4cc(C#N)ccc43)cc2OC)o1 1660053248 DEGCTCOSYPFHCS-QFIPXVFZSA-N 446.503 4.693 30 10 IJEE C[C@H]1CN(CCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H](C)O1 1666251581 DYXJIYMPBAQPIC-CALCHBBNSA-N 442.947 4.577 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 1667564090 RCVFVJCJXZQFFH-UHFFFAOYSA-N 440.469 4.853 30 10 IJEE CCCc1c(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)cnn1-c1cccc(C#N)c1 1668964125 CLVGNFQVFQSOQS-IBGZPJMESA-N 448.958 4.750 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1 1671954256 ADQCFDSMHMWAJL-FQEVSTJZSA-N 446.532 4.952 30 10 IJEE N#Cc1ccc(F)c(NC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)c1 1672125585 GDANGSXKYHLMBU-UHFFFAOYSA-N 432.293 4.673 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)c1ccc(F)c(F)c1 1673281483 YBSSBJNOONPQHW-QFIPXVFZSA-N 429.467 4.929 30 10 IJEE C=C(C)CCNC(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 1682686047 VRQLCBBBLMZEQV-UHFFFAOYSA-N 448.430 4.971 30 10 IJEE C=CCCC1(CNC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CCCC1 1682692392 VBBUPCVWIUBVCT-IRXDYDNUSA-N 447.542 4.858 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1683051779 SLLWJVSDFNRPLT-BHDDXSALSA-N 427.589 4.810 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(F)cc(Br)cc2C1)c1ccc(Cl)cc1F 1683688360 BSNHSMDTSRJWDL-SFHVURJKSA-N 439.687 4.823 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 1685664806 KZIVCKXZIQRHQF-UHFFFAOYSA-N 433.883 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCCC 1689855045 MZVOQNBGIAGLAQ-SIKLNZKXSA-N 428.024 4.635 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC)C1 1689905809 BESKHEHQSNCSSM-PMACEKPBSA-N 429.609 4.780 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1690237795 ASPRBEBLVIYJEW-YLJYHZDGSA-N 448.489 4.634 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1sccc1C)C1CC1 1690535602 CGSWGVQTYQSPKM-UHFFFAOYSA-N 435.597 4.915 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@H]1C(C)C 1690569728 MBGRKLUIWZQUEM-OFNKIYASSA-N 435.547 4.733 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(C)C)C2)c(C)o1 1692959948 HGOCSSAEMMTLEU-NVQXNPDNSA-N 447.583 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705711559 OQGQMIQVTFWCGS-DLBZAZTESA-N 449.441 4.559 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCO[C@@H]2CCOC2)CC1 1705765492 OMDXRFKZAXQYSJ-QGZVFWFLSA-N 437.371 4.604 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1705780333 FSADPVQFFVCTFQ-UHFFFAOYSA-N 429.609 4.545 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 1705795981 VXMPOECMOWCOEI-HSZRJFAPSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCOC1 1705800908 NNHPVDMZYOBLEM-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1705830512 RLNJGYZCAWWRBR-JOCHJYFZSA-N 425.621 4.565 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705857620 YIWRNNOAKPTJIU-VTYHHJSWSA-N 447.583 4.745 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1705887537 MMMRTJCWUPOKGU-UHFFFAOYSA-N 437.632 4.904 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCCC[C@@H](SC)C1 1705912914 YKRNXJJTZRCUKA-OAQYLSRUSA-N 435.597 4.675 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCc2sccc2[C@@H]1CC 1705947812 XWCZDMOSZYMWBD-IBGZPJMESA-N 425.627 4.758 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1710135936 BNLITQJFUUQLFO-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](COC)C1 1722308017 DKOJEAWWRRZUSW-VQTJNVASSA-N 428.552 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1722476401 TYABGVJAYCUGDR-AJTFRIOCSA-N 449.643 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1722513101 QVJWYJCNGLKGGF-SFHVURJKSA-N 429.528 4.596 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2ccccc2)CC1 1722591831 QEOOTHRYVHSQQY-QHCPKHFHSA-N 437.632 4.834 30 10 IJEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC2CCC(C)CC2)CC1 1722620479 NJMBWZUIJAGDBH-ZJZNHJNOSA-N 446.636 4.532 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1722651509 LTKQLTOJBGUOHI-UHFFFAOYSA-N 433.503 4.742 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(C)(C)O 1722663306 VAXZIEZKUVPKFW-UHFFFAOYSA-N 435.597 4.765 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCC[C@H]1CCCCO1 1722666967 ZHHNOLNWRMRMML-GOSISDBHSA-N 448.409 4.574 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1722673416 RBAZUHUNMFDEHT-TZRRMPRUSA-N 438.616 4.816 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740673324 PMBSPEIMEZNVLM-NTKDMRAZSA-N 433.600 4.651 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1740675000 ATXLRKZFQGENJD-FYYLOGMGSA-N 445.032 4.889 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC1=CCCCC1 1740679449 ZBBCTPIZQMGQAU-UHFFFAOYSA-N 435.572 4.913 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)CCC 1740757781 XJUNHZXIKRZMCW-NOXFTYBFSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2C(F)(F)F)CC1 1740840529 BPOGBWZDWDHPOT-UHFFFAOYSA-N 427.474 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)OC(C)(C)C1 1740853233 ZVLHFCRTSCNULF-LJQANCHMSA-N 442.604 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H](C)CN1CCCCC1 1740921695 FIEBHHAZYHGNKV-HXUWFJFHSA-N 438.645 4.660 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21)C(C)C 1740926847 LUGHYJZQINAVPC-CHSSDKTLSA-N 425.665 4.800 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CCC(C)(C)O 1740936492 WOQIMVGPJZVORH-UHFFFAOYSA-N 432.927 4.727 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1nc(C)c(C)s1 1748799938 PMSAXNRDGWVOJU-UHFFFAOYSA-N 437.613 4.540 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1Cc1cscc1C(F)(F)F 1748837781 MJXFLNUPPKJWKK-UHFFFAOYSA-N 434.874 4.800 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1OCCC1(C)C 1748876457 GTHRXHRYZWHKJO-IBGZPJMESA-N 431.367 4.530 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1nccs1 1749022098 FCJWZVYBOBJQJD-HNNXBMFYSA-N 448.017 4.531 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1749239238 HDDVEUWUVDQIFM-FCHUYYIVSA-N 442.629 4.619 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1749287969 IPXDNVUFGTWEBX-RTBURBONSA-N 445.558 4.823 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCc2ccccc2OC(F)F)CC1 1749305377 UMCOUGCERJODHC-UHFFFAOYSA-N 430.524 4.931 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCOc1cccc(C(F)(F)F)n1)C1CC1 1749514409 AWJPZWURTAUBBB-UHFFFAOYSA-N 447.436 4.732 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 1749515297 VMVOHASEQDUDJD-UHFFFAOYSA-N 429.446 4.636 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2OC)n1CC(F)(F)F 1749548767 JCZYGUSJCRYLGR-UHFFFAOYSA-N 438.475 4.779 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cc(OC)ccc1OC 1749551037 PUUCRGABAGXRSG-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1760133476 FREKHVMFCMZKTH-XZOQPEGZSA-N 449.643 4.848 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@@H](c1ccsc1)N(C)C 1760241528 CFNJSHFVMBJEAM-QFIPXVFZSA-N 437.588 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccccc1F 1760323540 DGCQUVDFKQRHOY-NRYAXDJKSA-N 435.547 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCO[C@@H]1C(C)C 1760336865 KNNRXWOEWXZOET-WTIAFYNJSA-N 440.588 4.644 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760428237 RMBNPRMFFUCVLP-IAGOWNOFSA-N 437.009 4.821 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760435038 VMKUYSWCNSWYNI-LRDDRELGSA-N 432.849 4.860 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760443183 PDIQMLORWIJYFU-GHTZIAJQSA-N 435.399 4.886 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCC(C(F)(F)F)CC1 1760459674 BGZNTCAPSHTRES-UHFFFAOYSA-N 438.494 4.953 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)CCCS1 1760477471 BGTIVKRBCAXRPY-GBXCKJPGSA-N 442.629 4.659 30 10 IJEE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ccon1 1760559251 FHQAKOMFFMFAOK-UHFFFAOYSA-N 448.596 4.896 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1772554897 YGLKDCVVHAZVEB-VQIMIIECSA-N 445.405 4.783 30 10 IJEE Cc1nn(-c2ccccc2)c2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C2 1772728470 NODMJRZIWFFTDN-UHFFFAOYSA-N 434.456 4.786 30 10 IJEE CC(C)(C)C1CCC(OC(=O)COc2cccnc2NC(=O)c2cccc(C#N)c2)CC1 1858732865 QNANRODEAIBFIB-UHFFFAOYSA-N 435.524 4.732 30 10 IJEE Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)cc2)c1 1860142603 QMEHUZRDIMXOCC-UHFFFAOYSA-N 431.517 4.687 30 10 IJEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Br)cn1 1860729848 RHBQDLGLTSJYEB-PKNBQFBNSA-N 437.293 4.644 30 10 IJEE C=CCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1861547086 KLCYIGICIGIFGY-HRNYAPDYSA-N 440.971 4.909 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Cl)s1 1861742145 WYGMWVJOBUSZQY-SFHVURJKSA-N 437.005 4.925 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)CCCOc1ccccc1Cl)c1ccccc1 1862228797 YWBITFSBNPKSAA-HSZRJFAPSA-N 426.944 4.557 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2cccc(O)c2)cc1 1862430616 NWGRGWLKJFWIEM-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1 1862520504 JPDMGIYLCQMYAM-JOCHJYFZSA-N 439.508 4.566 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc(Cl)c1 1862569284 JJEBRHCDECPVPY-XCLFUZPHSA-N 429.900 4.734 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862701431 DMFKZUGGPXWNIE-XMMPIXPASA-N 438.483 4.955 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1F 1862736524 ZKUGJIAGJSIUMU-XWRIVVANSA-N 438.455 4.891 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2C)c1 1862747264 OGASTWOAHIJURP-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862747628 UAUXYFPBGFMCAY-NRFANRHFSA-N 448.500 4.786 30 10 IJEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2cc(OC)ccc2OC)C1=O 1863718322 ZVHUDNUCZUBDJD-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868242776 RMSOMWVGQLXTKX-IBGZPJMESA-N 427.508 4.938 30 10 IJEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1 1870147861 KQVOPCAHIAKNIC-HSZRJFAPSA-N 437.503 4.503 30 10 IJEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(Cl)c([N+](=O)[O-])c1 1870894480 CWIBTMIJCGOHDI-UHFFFAOYSA-N 425.872 4.787 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1871006759 VULNEKVETGJFCA-UHFFFAOYSA-N 446.400 4.558 30 10 IJEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871141313 MLIHEWSLOAVIMJ-UHFFFAOYSA-N 429.564 4.868 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)o1 1871439167 LLHWHKDMLJGOMV-QRVIBDJDSA-N 433.460 4.718 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1C 1871804689 SULPVCDJSOJFTD-MRXNPFEDSA-N 440.487 4.526 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(=O)(=O)C1CC1 1871947843 LGMOQORCVZNJEN-LJQANCHMSA-N 439.364 4.653 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)c(C)cc1OC 1872149786 GXSHFFGMUHUSSR-SBUREZEXSA-N 444.597 4.542 30 10 IJEE Cc1nc(SCc2cccc(C(=O)NCCOc3ccccc3)c2)c(C#N)c(C)c1C 1872893157 KBLKRWVVSJNISZ-UHFFFAOYSA-N 431.561 4.980 30 10 IJEE COc1ccc(-c2nc(C3=C(N)N(c4ccc(C(C)C)cc4)CC3=O)sc2C)c(OC)c1 1873529855 NXWIAOZQWNVGQB-UHFFFAOYSA-N 449.576 4.976 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCc3ccccc3)ncnc21 1873608943 QPUJGXLPUYXNNY-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccnc1 1874289698 RJGMYCRAKGOFNR-CVKSISIWSA-N 445.548 4.744 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1cn(C)c2ccccc12 1874291197 MUECEQXLIGWPBT-ZVHZXABRSA-N 433.537 4.518 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874292039 IORJUNMHVYQQQV-FOKLQQMPSA-N 444.944 4.775 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cc(Br)ccc1F 1874298830 UXLZIBQLXWRUST-LSHDLFTRSA-N 449.349 4.980 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874317602 BHEKUWVXRXVYLU-KOEQRZSOSA-N 431.565 4.942 30 10 IJEE Cc1ccccc1CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccs1 1874333905 AXVUKVFQDILXCN-BYWZACNXSA-N 439.610 4.547 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1F)NC1CCCCC1 1874422719 APSIAMICFZXHPR-YDZHTSKRSA-N 443.573 4.569 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccnc2)c(C)c1 1874424802 DGRJJMCOUJVHPM-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2C)c1 1874465376 FYIBLVNDMDGCLV-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)c1 1874492685 ZBIAMTRIXBEUBO-QVWJKXSPSA-N 435.597 4.637 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc2ccccc12 1874505239 RTBAWBJCOPPLID-PCLIKHOPSA-N 429.549 4.997 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(Br)ccc1O 1874524188 AXVWECRGUNHHBZ-UFFVCSGVSA-N 435.322 4.622 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)N[C@@H](C)c1ccccc1 1874594579 RMXCBHABQODBCB-LLLGYDHXSA-N 445.515 4.856 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)NC1CCCCC1 1874595905 IHNYLYSDKNZMGS-XYOKQWHBSA-N 425.500 4.867 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692379 CVHGTFVCOVCARV-BUHFOSPRSA-N 447.443 4.874 30 10 IJEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)c1 1874693130 OTRCJLHQRCLFGV-PKNBQFBNSA-N 433.416 4.727 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1874700491 WHPUBMZJBPBCCK-UKTHLTGXSA-N 446.459 4.785 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1 1875115176 PVMGSGXLKLKFJV-RIYZIHGNSA-N 432.472 4.974 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875122893 NBPNBYZZGMMXAS-RUDMXATFSA-N 438.867 4.571 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2nc(C(C)C)[nH]c2Br)C1 1892691017 GMNCRLDGENJTJE-AWEZNQCLSA-N 427.387 4.560 30 10 IJEE C#Cc1cccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1894493063 UVKKZWIDTLCXAM-JWQCQUIFSA-N 437.495 4.717 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035467735 GOFPWKXZQIBAKP-DQEYMECFSA-N 436.596 4.907 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1O 2079976980 GCQWFYDFAZCCHD-CQSZACIVSA-N 430.224 4.640 30 10 IJEE CN[C@@H](CC#C[Si](C)(C)C)c1ccc(Br)cc1I 2086148509 BNBBKUMFAYIRLF-AWEZNQCLSA-N 436.207 4.585 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cccc1Br 2116838391 GXTKINNEVYKNNY-WMZOPIPTSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)c1cccs1 2124503017 GGUSLRBNTJQGOA-OAHLLOKOSA-N 436.331 4.587 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 2145529275 QWXWEWBOZZYYKA-PMACEKPBSA-N 437.422 4.975 30 10 IJEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1c1cc(Br)c(C#N)cc1F 2174814296 GTBOATTZVBQIQT-CKEIUWERSA-N 438.341 4.542 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190480012 XZMZQHLXQGKOKP-DZWGLGNASA-N 447.428 4.802 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Br)cc1I)c1cccc(F)c1 2207272354 OGBKYQMPXKKJRX-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OC)c1Br 2207377819 KDFIOPYBPQNXTG-APWZRJJASA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@@H](O)C#Cc1ccccc1Br 2235742938 ZXCVQJLZMCDJOL-MOPGFXCFSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 2235744931 AKTLURSJFGIVSV-YVWKXTFCSA-N 435.406 4.672 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2246604799 ZZNUJIRQSIMAOS-AQNXPRMDSA-N 437.625 4.615 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cc(Br)cc(OC(F)(F)F)c1 2272995745 HZPPSAFOZVMARQ-KBPBESRZSA-N 440.256 4.851 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2c(Br)cccc2C#N)[C@@H](C(F)(F)F)C1 2285185227 XRCRXEYOCGYBBN-STQMWFEESA-N 448.283 4.778 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CC[C@@]1(C)NC(=O)OC(C)(C)C 2289879007 COARIMPKTFZCJH-STZQEDGTSA-N 435.406 4.862 30 10 IJEE O=C1NC(=Nc2ccccc2)SC1=Cc1cc(Cc2ccccc2)cc([N+](=O)[O-])c1O 2294746063 YMCLVSGUMGCSST-UHFFFAOYSA-N 431.473 4.783 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296267043 OMDCTQKHGLZGQL-JGCRXCKMSA-N 440.353 4.585 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@H](O)C#Cc1ccc(Br)cc1 2296271704 FYQKQNRMINSMPB-DENIHFKCSA-N 430.342 4.602 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 2296289039 NPPHTRVXFQGZHP-DBVUQKKJSA-N 435.406 4.957 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(C)C 2296303954 AOQVEXWOJCQKAW-KNKQGSTJSA-N 435.406 4.718 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2296310521 KSWPKGMQNIQWGC-YJBOKZPZSA-N 449.311 4.624 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2296844758 DFVHOBQNRCKDCL-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE O=C1C(=CNc2ccc(F)cc2F)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 2297378303 TWMZEXPSQTZHIJ-UHFFFAOYSA-N 432.473 4.513 30 10 IJEE C=C(Cl)CSc1nnc(CCNC(=O)C=Cc2cccs2)n1-c1ccc(F)cc1 2297530803 GXIZVIWYQWVZAW-UHFFFAOYSA-N 448.976 4.685 30 10 IJEE O=C1NC(=Nc2ccc(Br)cc2)SC1=Cc1ccc(N2CCCCC2)o1 2313560450 UEIPAGKSTQUPKD-UHFFFAOYSA-N 432.343 4.924 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 2314028196 GSQJZSFELNITQS-RTBURBONSA-N 445.560 4.974 30 10 IJEE CCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(Cl)cc1Cl 2321014728 ZHORPHAPFPPTHL-UHFFFAOYSA-N 440.400 4.571 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(C)nnc1SCC(=O)Nc1ccccc1C 2321122030 OHZUZQXBGJUTED-UHFFFAOYSA-N 445.548 4.670 30 10 IJEE CCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2321836240 OGFRAVOZCGKJAU-MRXNPFEDSA-N 449.503 4.925 30 10 IJEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3OC)C4)C2=O)c1 2322318956 IOEFIBAYBGANAE-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCOc1ccc(C=NNc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1OCC 2322624165 HTXYLTYFYORLHY-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)cc1 2323909215 WWAHOUFDJIFOGV-UHFFFAOYSA-N 434.423 4.956 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OCC(=O)NCc1ccccc1 2323915140 VVAFIJNBFOTXJP-UHFFFAOYSA-N 429.516 4.985 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OCCO)c(Br)c1 2324514602 PAMYEVPYDOVNEP-UHFFFAOYSA-N 425.706 4.687 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OCC(=O)NCc3ccccc3Cl)ccc2C1=O 2325633249 ZCXZRPALUJXGFX-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Br)c(C)c2)cc1OCC 2325642866 VOWJMEBSMTZXDG-UHFFFAOYSA-N 432.314 4.776 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)c(Br)c1O 2326287447 OCWJPBSBRVJDKZ-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1cccc(OCC)c1 2326458321 VFMRLVJJLXGDOY-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OC)c1 2327549044 XGMSEUMXLHFVKM-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2327757872 APOLJCRIHAHTEZ-WSAILGMDSA-N 442.600 4.992 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 2330675202 LIRJOWTURYDAAB-UHFFFAOYSA-N 442.544 4.949 30 10 IJEE C[C@H](NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccs1)c1ccccc1 2330874590 BORSSEUQXLBNGL-INIZCTEOSA-N 441.626 4.780 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331033991 ZDQLYPZVDDXHIO-UHFFFAOYSA-N 442.424 4.749 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccccc1 2331201097 MQZQVEAWBHUPAG-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CCOc1cc(C=Nn2c(COC)nnc2SCc2cccc3ccccc23)ccc1O 2331595521 ANPRCKSAODXJPI-UHFFFAOYSA-N 448.548 4.857 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)cc1OC 2331638707 ASHUKOGHWCZVIY-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CCN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(Cc2ccccc2)C1 2339581025 HEKSXGRSSMISOZ-LKVFMFGUSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587999 BHWLWEIKIRNMFX-XZQKKESVSA-N 443.397 4.832 30 10 IJEE C=C1CCC(C[C@@H](NC)[C@H](O)c2sc(Cl)cc2I)CC1 2366654266 LQOCGNDEJMVAGP-OCCSQVGLSA-N 425.763 4.764 30 10 IJEE N#Cc1ccc(F)c(COCc2cc(I)ccc2Br)c1 2367286639 YINXCERPXZPUTB-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE Cc1ccc(NC(=S)/N=C(/NCc2ccc(F)cc2)Nc2nc(C)cc(C)n2)c(C)c1 14156862 QGSRPXXBQVMGCX-UHFFFAOYSA-N 436.560 4.804 30 10 IJEE C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 21761448 CQQHICRSOJDOEJ-LLVKDONJSA-N 443.985 4.677 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(Cl)c2)Nc2ccccc2C)c1C 32973167 KGRJJTBCWQCFAO-UHFFFAOYSA-N 437.975 4.922 30 10 IJEE COc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 35131708 UPDQHEJYTDJNNU-RRZPITBASA-N 425.484 4.873 30 10 IJEE C=C(C)C(=O)NCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1 40194326 KMKRIVPCBHPAQY-UHFFFAOYSA-N 436.600 4.723 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(Br)c(C)c2)n[nH]1 59890955 BJEFAIOLHCWIJB-CIAFOILYSA-N 439.383 4.584 30 10 IJEE C=CCc1ccccc1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 96573809 IYNRXSBCKKZJBA-MHZLTWQESA-N 442.603 4.562 30 10 IJEE CC(C)c1ccccc1/N=C1/SCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 96872999 BJRNWBFLCBLCLD-OCEACIFDSA-N 449.576 4.726 30 10 IJEE COc1cccc(/C=C/C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1OC(F)F 97554171 ULIKCHYIBHRRKF-MYSGNRETSA-N 427.234 4.998 30 10 IJEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(C)o4)[C@H]3c3ccco3)sc2c1 102910171 HHYLVBKPOFMBRJ-LAFOYAEKSA-N 434.473 4.979 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)c1 169957542 NMFXIYDQTSZKON-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccn1 169992971 MWVVPKYTJDDTCW-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(O)c2)c1 170079227 NFOQBQFTTAXHNQ-DEOSSOPVSA-N 429.472 4.503 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccccc1 170233542 KBQWVEKQTRTCNK-JOCHJYFZSA-N 437.536 4.705 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccncc1 170275138 AWDMVKLVYVEYGL-XMMPIXPASA-N 442.515 4.956 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(C)o2)cc1 170306243 BGFUKLYFCKXJMG-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccc(C)o1 170309290 DNYMUSJTGIXOMB-OAQYLSRUSA-N 427.497 4.764 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1O 170409032 OEXWEIHPKCAQNK-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1cc(C)nn1-c1cc(C)c2ccccc2n1 170536669 WGJXHELYMXMIID-UHFFFAOYSA-N 428.492 4.620 30 10 IJEE CSc1cccc(NC(=S)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)c1 254524298 MFDCNTKXXMRPRL-UHFFFAOYSA-N 432.574 4.646 30 10 IJEE COc1ccc(C=Nc2ccc3c(c2)c2nc4ccccc4nc2n3C)c(C(=O)O)c1OC 254568735 FQOVQYBSYYRYOW-UHFFFAOYSA-N 440.459 4.741 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C 440679806 HJGJWEIQCPSCMA-AHWVRZQESA-N 445.563 4.790 30 10 IJEE N#CCCN(Cc1ccco1)C(=O)Nc1cc(Br)ccc1Br 494207099 BBPOADSPMLJZDG-UHFFFAOYSA-N 427.096 4.752 30 10 IJEE N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1ccc(Br)cc1F 501015221 ASNKQUZLWGKCAH-UHFFFAOYSA-N 429.245 4.665 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](Nc2ccccc2)C1 508921864 NQDAUWLNZFCNGJ-HJOGWXRNSA-N 429.568 4.790 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc(Cl)c1OC 526491013 JIRLEDJVLALUGO-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 526809683 LEEQKVMWTJIDJH-UUYOSTAYSA-N 425.514 4.685 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc1[N+](=O)[O-] 526818517 NAOXRVUZPDSIRI-UUYOSTAYSA-N 425.514 4.685 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2ccccc2)C1 555262494 OZKABOHHECSXBS-VXNXHJTFSA-N 430.552 4.677 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 566647804 OJKVZSAVXIJBQW-AWEZNQCLSA-N 444.370 4.748 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 586653483 KQQJSVMDHIDTMY-UHFFFAOYSA-N 438.959 4.508 30 10 IJEE COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCc1ccc(C#N)cc1F 609252788 KLEPEMUAWWFIEO-GOSISDBHSA-N 432.293 4.515 30 10 IJEE Cc1nn(-c2ccccc2)c(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1C#N 611347934 SFRBUNQMGKQLAG-LJQANCHMSA-N 442.498 4.621 30 10 IJEE Cc1ccc([C@H](C)CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)cc1 737414664 RUHHBFJQUCLWSL-IIBYNOLFSA-N 439.556 4.538 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cncs2)c1 761141057 LXTMETDFQOPJPI-UHFFFAOYSA-N 448.953 4.535 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 765033564 KQRBPMGOFORSJD-UTKZUKDTSA-N 439.560 4.611 30 10 IJEE N#Cc1cccc([C@H]2CN(c3nnc(-c4ccccc4F)n3Cc3ccccc3)CCO2)c1 802128642 UJBRCYYVPXHCSK-XMMPIXPASA-N 439.494 4.582 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1128003200 JNTWBLKZONRSCX-WIYYLYMNSA-N 429.944 4.605 30 10 IJEE C=CC[C@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)CCCC)c1ccc(Cl)c(Cl)c1 1128330702 QBPKAAOJRAMZFO-ROUUACIJSA-N 434.385 4.748 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@H]1C 1157137988 VQRXMMNVVTUNAW-IEKZBVHVSA-N 438.955 4.951 30 10 IJEE C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2N1 1160476944 CDYPCRLJZHZVBC-KZULUSFZSA-N 442.401 4.502 30 10 IJEE C#CCN(Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCOc2ccc(Br)cc21 1167420704 JMIXYYZQUZOIEN-IBGZPJMESA-N 448.744 4.970 30 10 IJEE C=CCn1c(SC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nnc1-c1ccccc1OC 1188121654 FIFOGJAKBZBZMQ-SJORKVTESA-N 444.601 4.735 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](OCC(F)(F)F)C1 1219084771 YLRUEBFKVMVUAV-ZDUSSCGKSA-N 437.256 4.589 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCc1c[nH]c2cccc(Br)c12 1229579406 FSUKJSGEGZTMHD-IBGZPJMESA-N 437.341 4.721 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1251834255 FFDXLASHSOECOH-PZJWPPBQSA-N 435.465 4.554 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2cnn(C)c2)cc1 1264905554 BNWZILVTDFXQEB-UHFFFAOYSA-N 428.305 4.817 30 10 IJEE C#CCN(C(=O)c1cccc(OCc2ccccc2Br)c1)c1nccs1 1265710787 AUJLOCFNASHIFN-UHFFFAOYSA-N 427.323 4.765 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCCc1nc(C)cs1 1286277373 COHLDTWRGRWXBC-QZTJIDSGSA-N 441.576 4.803 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1286322028 XMMMPVJIYSKTIO-RTWAWAEBSA-N 433.600 4.882 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1oc(CC)nc1C 1286423930 QXDXXLHZNNVGJJ-UHFFFAOYSA-N 442.350 4.622 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOCC(C)C 1286438672 ABHOSJXSMOTHKZ-UHFFFAOYSA-N 433.394 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCc1nccs1 1286518929 MYHPEUZCYPLTGX-UZUQRXQVSA-N 439.560 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1C[C@H]1C(F)(F)C12CCC2 1286583734 QYYJZHQEBUFUTM-LJQANCHMSA-N 432.515 4.704 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1286608613 SGYVETQMOONIMB-LJQANCHMSA-N 431.650 4.917 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1286656234 RMNISJGHAACIKO-NRFANRHFSA-N 432.597 4.584 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC(=O)NC1CCCCC1 1286760873 RSKBYWKTLJRDHR-UHFFFAOYSA-N 447.583 4.531 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1298087432 SZEJYOBBFJWYOY-AREMUKBSSA-N 446.572 4.614 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](OC)C1 1300341319 FUPAEWSBWVWUPH-HSZRJFAPSA-N 431.584 4.771 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1300353037 GABPVANRKCNKNS-UHFFFAOYSA-N 438.881 4.750 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)Cc1cccs1 1300446693 QCCWKXGWEVTIJC-CQSZACIVSA-N 447.377 4.856 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(CC(C)C)CC1 1300558957 GNZUGTLFOCHHAR-UHFFFAOYSA-N 439.401 4.997 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC(C)(C)N[C@H](C)c1ccccc1 1300586938 FIGMUAFOGLQYCA-OAQYLSRUSA-N 445.636 4.523 30 10 IJEE C=CCCC1(CNC(=O)c2cnn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)CCCC1 1300739901 WPZCLDALJOGWNH-FQEVSTJZSA-N 430.593 4.712 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1300809111 TVMJLEUSBRLRTE-CNNODRBYSA-N 431.506 4.625 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(C)C)C1 1300870264 RSQKVOGXPWKBCH-QPXUXIHVSA-N 438.616 4.662 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nccn2C(F)F)CC1 1301134021 CUSVIFKYXIZZTR-UHFFFAOYSA-N 448.905 4.553 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C)[C@H]1C 1301152441 YYPIPKFXIVOVTN-UWVAXJGDSA-N 428.602 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1301155749 UKUQZDXZHLNQDQ-UHFFFAOYSA-N 436.629 4.556 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cccc(Br)n1 1301273732 WSSSFCVJYWYCBO-UHFFFAOYSA-N 438.373 4.576 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN(CC(C)C)C1)C1CC1 1301330796 WYILQUVPZUTUBC-NRFANRHFSA-N 425.596 4.531 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@H]2CCCCO2)C1 1301557899 XRVFSLWIDQBFCH-YADHBBJMSA-N 445.007 4.653 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](C)C1 1301597230 LVSPDVWWIQNSIT-MRXNPFEDSA-N 441.626 4.521 30 10 IJEE C=CCSCCn1c(N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C 1301620045 BFCRTWZMHCNODO-UNMCSNQZSA-N 441.689 4.984 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 1301668631 AEEZWEOQJLZZPG-MRXNPFEDSA-N 430.936 4.929 30 10 IJEE C=CCn1c(SC[C@H]2CC[C@@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CCCC3 1307260509 FDGYVQGRXCMCHO-RISCZKNCSA-N 430.517 4.725 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)[C@@H](C)CC)nc2scc(-c3ccccc3)c2c1=O 1307261022 KEBRJFGFMREAGC-KSSFIOAISA-N 428.579 4.991 30 10 IJEE CC#CCN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1311359414 HZNFMEFLQTTXBH-IBGZPJMESA-N 436.408 4.819 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1311610469 BNXCXBGLQGDFJS-RLLQIKCJSA-N 431.577 4.695 30 10 IJEE C=CCO[C@H]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)C1 1320964167 SCDFKLNSEOKGTR-WMCNPTGISA-N 439.440 4.912 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N1CCCSC1=Nc1ccccc1 1349450037 UVKJQXUVFQGFHK-OAHLLOKOSA-N 438.578 4.610 30 10 IJEE Cc1c(C#N)c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n(-c2ccccc2)c1C 1350286747 DXILPFZDUHGKIG-KRWDZBQOSA-N 432.911 4.611 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)OC(C)(C)C1 1358906814 UGBKNGXRZAAWKV-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1359087390 CZHSSRJRKQACAL-UHFFFAOYSA-N 437.357 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1359101298 MTTHOLDIGBXDPU-GBPFJNKXSA-N 445.007 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)CC1CC1 1359102591 CZRBMQBPSIDOSJ-AVRDEDQJSA-N 430.980 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)COC 1359108157 DLOGHAXYBSNWGZ-AWEZNQCLSA-N 425.346 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC(F)(F)CO1 1359109046 NQADYQDDKXVFQD-INIZCTEOSA-N 441.320 4.534 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncc(CC)s1 1359130224 CCQBZJMBLGZWQU-UHFFFAOYSA-N 431.993 4.847 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCCC2(CC2)C1 1359136271 FIKGWGPRTHUOPM-UHFFFAOYSA-N 428.602 4.552 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCCN2CCCCC2)CC1 1359162115 DOKGXMPOCCRXNJ-UHFFFAOYSA-N 429.012 4.806 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(CC)CC2)CC1 1359165630 SVKSBXXITWYXFF-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3sccc3c2)CC1 1359173908 REGZAQGOTPUQGK-QGZVFWFLSA-N 426.586 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1359191712 KIEPBPAATAUVFR-GOSISDBHSA-N 448.036 4.541 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCN(C(C)C)C1 1359234165 GHIDYMZPAFUUQL-MOPGFXCFSA-N 427.662 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCN1CCC 1359234699 XMSRTJUVSQGEFJ-SFHVURJKSA-N 432.410 4.513 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCC(C)CC1 1359254160 HPGMSHRIPOYDIV-UHFFFAOYSA-N 449.599 4.780 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 1435025367 WNSQMTYENFBJSL-RTBURBONSA-N 442.581 4.560 30 10 IJEE C#C[C@H](C)N(C)C(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 1436083757 LYSSKXAKVGUZGS-LBPRGKRZSA-N 446.395 4.693 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\C1(C)CCOCC1)c1ccc2c(c1)OCCO2 1443632002 HLUKZYOSZWCRHJ-KHPPLWFESA-N 449.547 4.929 30 10 IJEE C#CCN(c1ncnc2nc(SC)sc12)[C@@H]1CCOc2ccc(Br)cc21 1458194348 KBJAXAYFRQRORT-CYBMUJFWSA-N 447.383 4.534 30 10 IJEE N#CCc1ccc(COC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 1458304872 FPMLSDSEHDUOFU-UHFFFAOYSA-N 426.398 4.587 30 10 IJEE COc1ccc([C@@H]2CCCCCN2C(=O)COc2cc(Br)ccc2C#N)cc1 1459109175 BYOGVQPZLWIZAW-FQEVSTJZSA-N 443.341 4.852 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1ccc(Cl)c(Cl)c1 1459450930 FOAMLJPEYPLRIV-GOSISDBHSA-N 444.336 4.650 30 10 IJEE C=CCCCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1459785927 QBWPNKISHIOXBQ-UHFFFAOYSA-N 434.561 4.778 30 10 IJEE Cc1nc(SCC(=O)Nc2nc3c(Br)cccc3s2)c(C#N)c(C)c1C 1459880033 HMPGPCZWYCGZJJ-UHFFFAOYSA-N 447.383 4.982 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1461064487 FWTBFIQNKITBJS-MRXNPFEDSA-N 440.469 4.991 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)c1 1465382957 YERXQQXFMADTRI-UHFFFAOYSA-N 440.544 4.537 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 1467227951 VFTXAJROWPTQDX-MOPGFXCFSA-N 440.943 4.629 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1468173062 LFTOFLOLWYDJBN-DEOSSOPVSA-N 426.582 4.670 30 10 IJEE N#CCCn1cc(CN2CC[C@@H](c3cccc(Br)c3)C2)c(-c2ccncc2)n1 1474529496 BPLDWRMHKVQEOV-LJQANCHMSA-N 436.357 4.611 30 10 IJEE CCOc1cc(Br)ccc1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1476256991 ASQWATQYKRXCDM-UHFFFAOYSA-N 443.345 4.510 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(Br)cc1 1477493462 WYHZMPCFZPEFDY-QFIPXVFZSA-N 440.385 4.609 30 10 IJEE Cc1cccc(C)c1CN(CC(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478419784 DCBKYQCQWXTTBW-XMMPIXPASA-N 432.568 4.538 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1478672359 YIEQUMCGGXYZGG-QFIPXVFZSA-N 439.600 4.627 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1OC)C1CC1 1507596310 GHMZDWSAKCMCJZ-FYYLOGMGSA-N 436.600 4.788 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCS1 1507682463 PEXSSBICACKQQS-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1Cc1cnc(C)s1 1507761018 JAUOTPPEICQZRH-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1507847842 LSGJPUGTRYFFNF-NRFANRHFSA-N 446.542 4.630 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C1)c1ccccc1 1507854331 KKIPTFABAYVKIC-HNNXBMFYSA-N 426.362 4.606 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(C)cc2)CC1 1507877842 QDUMIKPGEKCLSF-UHFFFAOYSA-N 426.362 4.743 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1507951522 GOULARVSPFZFKH-KEVCNVLYSA-N 438.616 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H](OC)c1ccccc1 1508006673 JRFHKNLKHNRRQS-JOCHJYFZSA-N 431.565 4.982 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1508012679 BXLUXMLSKJKNFC-KRWDZBQOSA-N 445.995 4.938 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1CC1CCC(F)(F)CC1 1508031992 CIKWWCMPUJJQDL-UHFFFAOYSA-N 441.526 4.918 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F 1508161062 AJNVMRHOBCHVOK-UHFFFAOYSA-N 447.530 4.838 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CC(C)(C)C1 1509302235 HNRNYYIVFZWEAV-QFIPXVFZSA-N 437.588 4.993 30 10 IJEE C=CCCCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 1518517227 PQGQLTHDUULEHR-NOZRDPDXSA-N 436.552 4.661 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C3(Cc4cccc(F)c4)CCOCC3)cc2)nc1 1519205415 CDLLFCLSDYGAOV-UHFFFAOYSA-N 431.467 4.863 30 10 IJEE Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(Br)c2)c(Br)c1 1521093083 FUPWBSDCUWLOLM-LLVKDONJSA-N 438.119 4.798 30 10 IJEE N#CCC1CCN(c2nnc(C3CCCC3)n2Cc2ccsc2Br)CC1 1521142921 AYYOOBWVVCCUFM-UHFFFAOYSA-N 434.407 4.938 30 10 IJEE CCCCN(CC)c1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 1527915393 BRVCHBGFIPNAGS-UHFFFAOYSA-N 441.579 4.695 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc(Cl)c(Br)c2)cc1 1528317056 XCOSMIPBOAPEFO-UHFFFAOYSA-N 434.721 4.564 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccc(C2CCC2)cc1 1528940774 FRLLUZAYBRPAIU-UHFFFAOYSA-N 443.341 4.682 30 10 IJEE C#CCN(C(=O)[C@@H]1CCc2cc(F)ccc21)[C@H]1CCOc2ccc(Br)cc21 1529627816 YSZNDTMEYPGBOK-QUCCMNQESA-N 428.301 4.604 30 10 IJEE Cc1cc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)nn1-c1cccc(C(F)(F)F)c1 1530726521 HUXIEFNRVZKDRB-FQEVSTJZSA-N 439.441 4.679 30 10 IJEE C#CCC1(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CCCCC1 1536235749 QVZCJHBJPFNXSG-UHFFFAOYSA-N 426.358 4.580 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)cc1 1537825349 JLAZQWJYDLHEGT-WOJBJXKFSA-N 430.545 4.670 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(F)(F)F 1539296886 VLYKLPRLUOIWFD-MRXNPFEDSA-N 438.881 4.714 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](OC)[C@H](C)CC 1539345858 ZCIUTTRBUWDIPC-DVECYGJZSA-N 433.600 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCSC1(C)C 1539569217 LNCXMSRYKOHJKW-UZUQRXQVSA-N 428.577 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C)CC1 1539625238 ZUCFHHLMCYBTDZ-NZQKXSOJSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCN1CC 1539659066 HWHADULYTVUESC-IBGZPJMESA-N 432.012 4.884 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 1539947500 KIERYAAYMCPKLN-XZOQPEGZSA-N 437.632 4.578 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](C)C1 1539953541 KWERTFJQJWIODY-OKILXGFUSA-N 425.396 4.739 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCO1 1539985151 HLOFUHGSROMDQJ-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1SC 1540051706 KWKKLHLCDHHWCM-UHFFFAOYSA-N 432.391 4.737 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@H](C)C1 1540126896 AHELIOUCBVDOIB-GBXCKJPGSA-N 426.568 4.764 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2CN(C)C(C)C)C1 1540887159 QWZLGYDMIMABKW-QHCPKHFHSA-N 449.599 4.516 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2(COC)CCC2)C1 1540887518 YIVFTLFEXKMJBY-GOSISDBHSA-N 448.970 4.726 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CSCCS1 1541799225 AIVINOJCZLXKLH-DOTOQJQBSA-N 447.699 4.862 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 1556214663 XSFWZCVUWIIOSH-HXUWFJFHSA-N 432.561 4.675 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 1556259521 BZGFAIKSUYOOPF-INIZCTEOSA-N 432.442 4.662 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1OC 1556982191 ZYLXPIXAXPLYCL-KPPJJKTOSA-N 443.490 4.524 30 10 IJEE Cc1ccc(NC(=O)NC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C 1559603554 AKQVCDBQGLBVFJ-UHFFFAOYSA-N 444.510 4.665 30 10 IJEE CC[C@H](CC#N)NCC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 1559892858 BPBYLLDBGLRWPX-JOCHJYFZSA-N 427.552 4.638 30 10 IJEE C=CCc1cc(CNCCCOc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1O 1560430170 BRBSGFMDMONPHB-UHFFFAOYSA-N 430.854 4.755 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 1561654001 CTUUOGCLAWUZDJ-DZGCQCFKSA-N 439.762 4.589 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)CCOCC1 1562351883 LNYZSAYSCWAPHO-UHFFFAOYSA-N 441.450 4.746 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CC1 1562673281 DRMHSPWTYBUONA-UHFFFAOYSA-N 436.512 4.872 30 10 IJEE C#CCN(C(=O)N[C@H](CCC=C)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1564397210 ZZKURUUSBFIHOO-JOCHJYFZSA-N 425.573 4.738 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 1566728607 LIFJAEDPSUKPPX-IBGZPJMESA-N 444.963 4.799 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(F)cc1 1583539030 KKGUEUDKPJOZPI-FQEVSTJZSA-N 448.475 4.791 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1583696260 YZPAIXVKFRULFG-RXVVDRJESA-N 431.363 4.902 30 10 IJEE C=CCC1(C(=O)N2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCCC1 1583738776 HKVRBQHEGFCISD-ACRUOGEOSA-N 434.621 4.824 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 1586934837 BAICMCMPGFXNNE-MNDPQUGUSA-N 444.531 4.671 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1587645459 JEQIPSWUQNEPMT-VYDXJSESSA-N 440.460 4.974 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1587941429 AGSOQBCTSJFIEW-LVXARBLLSA-N 439.559 4.635 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC1(OC)CCC(C)CC1 1588451639 COYZQIAOBDOSDK-UHFFFAOYSA-N 430.980 4.565 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC1CCC(F)(F)CC1 1588549924 BYPYGLOQKIGPAZ-HXUWFJFHSA-N 446.517 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1589625308 ATRHCSQFFXSUJL-HXUWFJFHSA-N 438.576 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(F)cc1)N(C)C 1589676321 QDZIJTXUALWDRF-OAQYLSRUSA-N 427.593 4.775 30 10 IJEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC=C(C(C)(C)C)CC1 1593747496 XSHIBKUSXKBUOX-JOCHJYFZSA-N 438.572 4.566 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1593825955 GZIOJRFKIKDGJH-BMGDILEWSA-N 446.979 4.738 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1593844600 CYOQXZKEHISHNT-QGZVFWFLSA-N 442.951 4.597 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCSC(F)(F)F)CC1 1594430087 ITCFZQCUGQQTEE-UHFFFAOYSA-N 426.508 4.821 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(F)(F)Br)CC1 1594436993 GEJFBVFTZIYFQM-HUUCEWRRSA-N 447.368 4.587 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1594687172 HIPSWZGJWIVZTG-IBGZPJMESA-N 428.577 4.712 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1595075218 BACZXAKCWJRYMV-LEWJYISDSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1sc(C)nc1C 1595161761 LCUXVMDJQLSPBH-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CC1CCC(F)(F)CC1 1595252005 ZWJBBVAKDRTSHU-UHFFFAOYSA-N 429.515 4.937 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)C(=O)OCC 1596596535 RXHRBFUKYGJHQN-OAHLLOKOSA-N 427.444 4.941 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2cc(C)c(C(C)=O)c(C)c2)nnc1-c1ccco1 1610924383 VKMRIVYTDWITKL-UHFFFAOYSA-N 425.510 4.631 30 10 IJEE C#CC[C@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1 1611027130 ZZJVDPIOPRLMDB-INIZCTEOSA-N 440.956 4.535 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc(C(F)(F)F)s2)nnc1-c1ccco1 1611027652 DHUSIGJNFVPHNC-UHFFFAOYSA-N 442.488 4.603 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1)CC1CC1 1616401687 DXMNVJFLOUJOCK-UHFFFAOYSA-N 426.564 4.748 30 10 IJEE N#Cc1ccc(S(=O)(=O)CCN(Cc2ccccc2Cl)c2ccc(F)cc2)cc1 1616514358 GGZWWVBHQGKVJY-UHFFFAOYSA-N 428.916 4.831 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C 1618139535 AYKBVPYAKOFMBU-LJQANCHMSA-N 432.973 4.963 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1OC 1621246119 HDCAYLWWIJXHMK-OAHLLOKOSA-N 429.870 4.966 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 1624634918 HNBYFFHJOZINOB-HSZRJFAPSA-N 435.574 4.964 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)c1ccc(Cl)cc1F 1629953091 SWUMKPXOLPJCAW-GOTSBHOMSA-N 427.951 4.926 30 10 IJEE C=CCCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 1633648388 DLJYBLTYQRQMLT-UHFFFAOYSA-N 427.353 4.880 30 10 IJEE C=CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)Cc1ccc(OC)cc1 1641557282 CMUZKYRGCAAWEK-UHFFFAOYSA-N 435.593 4.986 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H]3c3ccc(Br)c(F)c3)C2=O)cc1 1642905529 BNGJZGWDTJUSBY-RTWAWAEBSA-N 442.332 4.792 30 10 IJEE C#CCN(CC/C=C\c1cncc(OC)c1)[C@H]1CCOc2ccc(Br)cc21 1653389055 SFVRFCLJEPRSFU-CDFDFNMFSA-N 427.342 4.715 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)Nc2n[nH]c(-c3ccc(O)c(Cl)c3)n2)c1 1654506114 AVOZIGXLJSMXBH-UHFFFAOYSA-N 445.866 4.534 30 10 IJEE C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1654778703 GSSQVWATANTUMW-IKGGRYGDSA-N 445.629 4.515 30 10 IJEE C=C(Br)CN1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1655701606 OEPWLKLHRRVSSL-UHFFFAOYSA-N 437.378 4.559 30 10 IJEE C=CCN(Cc1ccc(O[C@@H](C)C(=O)OC)cc1)Cc1cc(Br)ccc1F 1657183090 NYVUMKQBIHEUPG-HNNXBMFYSA-N 436.321 4.717 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 1663321051 CWICJAKRNCSXGD-SFHVURJKSA-N 431.561 4.647 30 10 IJEE C=CCn1cc(CNC(=O)Nc2cc(-c3nc4cc(F)ccc4n3C(C)C)ccc2C)nn1 1668898401 QYJFXKKLNXWUGA-UHFFFAOYSA-N 447.518 4.831 30 10 IJEE C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(Cl)cc1Cl 1668926048 GFUKTCHGSFTMFL-VIFPVBQESA-N 434.142 4.667 30 10 IJEE C#CCN(C(=O)Nc1cc(F)cc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1669397319 WJTNUFOKRKYNKQ-GOSISDBHSA-N 433.277 4.588 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC 1675759857 DDZMYUDICRNBPY-FQEVSTJZSA-N 445.604 4.991 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)NCC3(c4ccc(Cl)cc4)CCCC3)CC2)cc1 1677287884 GJDLHZHEMGLGAF-UHFFFAOYSA-N 436.987 4.551 30 10 IJEE C=CC[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccncc1 1677731798 YHCHTGSFQCNKCA-JIMJEQGWSA-N 444.554 4.805 30 10 IJEE C=CCN1CCC(NC(=O)NCC2(c3ccccc3Br)CCCCC2)CC1 1678692667 SWZIVGROWVNCOP-UHFFFAOYSA-N 434.422 4.601 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 1681333401 BDUQMMFFBQYWGX-UKILVPOCSA-N 426.532 4.619 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)CC2)c(F)c1 1682781078 BOLKFGITFMXADX-VWLOTQADSA-N 442.538 4.903 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1)c1ccc(Cl)cc1 1683502933 YEONSUNZYDEEOB-PGRDOPGGSA-N 438.959 4.566 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@@H]1C1CCCC1)[C@H]1CCOc2ccc(Br)cc21 1684789167 AJBCGMIDVXZHSZ-HQRMLTQVSA-N 431.374 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCc2ccccc21 1689838238 WECMDIWKUNHFOT-ZBFHGGJFSA-N 441.398 4.957 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C1CCC1 1689938399 KGHPMVPHDWBJGC-FQEVSTJZSA-N 443.389 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1Cc1csc([C@@H](C)OC)n1 1690267011 QLXIQOPSCWKBOD-GOSISDBHSA-N 425.602 4.792 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1690352549 HRPBLQQCQPDVES-UHFFFAOYSA-N 444.023 4.681 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@H](C)c2cc(F)ccc2F)nnc1[C@@]1(OC(C)C)CCOC1 1690354570 VJEVAJCEVPMXAS-QVKFZJNVSA-N 440.922 4.547 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(Br)n1 1690449937 VGCBKOBMRYLWOQ-UHFFFAOYSA-N 429.366 4.662 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1690497201 KDNQSJNKBHDAAC-NRFANRHFSA-N 432.996 4.598 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccnc(SCC)c1 1690515314 KEZPYVZKEPRHFQ-MRXNPFEDSA-N 427.549 4.735 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2CC2C[C@H](C)O[C@@H](C)C2)cc1 1693157877 CXDYMXUFKBBBRP-QYZOEREBSA-N 427.618 4.821 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705514131 LJNHWFCZQGVWGY-LJQANCHMSA-N 442.489 4.713 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705537484 HKTRZSDGBAIDSM-PXNSSMCTSA-N 431.005 4.643 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)Cc1cccs1 1705574370 BULCYINIKVDNBA-NRFANRHFSA-N 428.605 4.761 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1(C)CC1 1705622523 KLGCPLKJWLGXKA-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1705659936 JPXPMZUMEOHRKK-DHIUTWEWSA-N 438.641 4.906 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCc1nc(C)no1 1705670625 CLKQIRPWQZXTOI-RUZDIDTESA-N 432.572 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(C)C)C1 1705709371 OBTJKUPDRVQBTH-HWBMXIPRSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1705717634 OFPCCTZACUFENN-IBGZPJMESA-N 437.519 4.559 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1705809057 GTWRAVHWOGYPHG-HXUWFJFHSA-N 429.996 4.541 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)C(C)C 1705867742 VAGHXIHKJOORTJ-HXOBKFHXSA-N 429.559 4.687 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)C1 1705941679 REMMMHVUEZZVGB-UHFFFAOYSA-N 427.401 4.786 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722315566 XREYCVHLIOLFQR-HSZRJFAPSA-N 449.643 4.931 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1722317643 HQSMTENTTQGCLO-WWOZWPLTSA-N 426.630 4.749 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1722527342 GTSFBLDBVQALLG-MOPGFXCFSA-N 447.574 4.546 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCCS2)CC1 1722562339 VZKVOESYADYLJK-LJQANCHMSA-N 428.602 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722587258 IGNUCWQBBBYIRV-SFHVURJKSA-N 436.535 4.524 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1722599977 IKLIXMSPIQAOHU-OAQYLSRUSA-N 435.572 4.999 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCS1 1722660198 OXPTWPMPLWLZAF-PMACEKPBSA-N 430.593 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCC[C@H]1C 1722662893 PKYACTGPTRHPFB-NLFFAJNJSA-N 436.625 4.869 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1722719296 SLXKVQIOYLKNRT-VAMGGRTRSA-N 432.653 4.878 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2C)C1 1731087064 IANFGQYETMDMET-RCZSKKKRSA-N 439.629 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC1CCCCC1 1740539910 WOUZCSYIMUGCMA-HXUWFJFHSA-N 431.584 4.999 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(COC)CCCCC1 1740541653 DMLLKYQQSUIASE-QGZVFWFLSA-N 430.980 4.662 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H](c1cccnc1)C(C)C 1740557588 ORDVOZJHIXGNSK-GMAHTHKFSA-N 431.584 4.767 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCCS1 1740634148 HFDJGQOAOQLWFO-HSZRJFAPSA-N 436.625 4.729 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCC(F)(F)C1 1740634154 HKCPEWHLWJPOQM-FQEVSTJZSA-N 440.538 4.878 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC(C)(C)OCC 1740726695 KIGMKSXZRNBUKO-LJQANCHMSA-N 437.407 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CC1(SC)CC1 1740727087 YWVOBZGEKYZTON-HXUWFJFHSA-N 445.430 4.904 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)CC 1740752778 ASIXYJUAXNTWFC-CZUORRHYSA-N 425.396 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CCC)C1 1740758727 BHJZOODIORRYEK-NWSQWKLXSA-N 445.007 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1740761945 PZAGCAMOSYZLPT-UNMCSNQZSA-N 439.560 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc([C@@H](C)O)cc1 1740777276 SWBYSRIGKSJNEO-STZQEDGTSA-N 426.605 4.701 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC=C(c2ccccc2)C1 1740793717 KXMFPPQSVQWKHG-UHFFFAOYSA-N 435.597 4.520 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@@H]2CCC[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740816016 RQOZGJPTBBKDLB-DZJNRPSUSA-N 438.016 4.816 30 10 IJEE C=CC1CCN(c2nnc(C(C)C)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1740833125 LHTYMRDLSLCUJI-HXUWFJFHSA-N 431.625 4.984 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSc2ccc(C)cc2)CC1 1740842853 NZSXDLNFJYRBQY-UNMCSNQZSA-N 442.629 4.505 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(F)cc(C)c2C1 1740843831 QWPOQMJJTVUSAO-GOSISDBHSA-N 430.568 4.615 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCC1CCOCC1)C1CC1 1740907829 ZXVDRZCEWHTQRZ-UHFFFAOYSA-N 437.407 4.741 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H](SC)C(C)(C)C 1740914733 JZLWCJIOWPSFBI-OAQYLSRUSA-N 449.628 4.521 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cc(C)oc1C 1740921071 KHLGEJONPMGLEP-VWLOTQADSA-N 449.530 4.722 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC2(C)C)C1 1740975022 QYTYCHJVVHQQNU-AEFFLSMTSA-N 431.378 4.535 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC1CCOCC1 1740998746 QIOXLACMZHDSEH-UHFFFAOYSA-N 437.613 4.665 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1748641164 DRNCLEWTIGCRAX-MUGJNUQGSA-N 444.023 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1sccc1C 1748651472 MXDXKVLZVHNKHM-CYBMUJFWSA-N 435.416 4.840 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@](C)(OC)C1 1748740084 NECZBIHJZSJSOU-VWLOTQADSA-N 434.540 4.536 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC2(CCCCC2)O1 1748775574 NTSBROOFVGGQJC-OAHLLOKOSA-N 449.418 4.720 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](SC)C(C)(C)C 1748868455 XJYUJXJLMCLDTK-RXVVDRJESA-N 442.604 4.798 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(C)C)CC1 1749024589 VRZLZPACLZUCTQ-UHFFFAOYSA-N 434.556 4.785 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749174698 YVHPCJUVARTQRK-HSZRJFAPSA-N 435.616 4.768 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749393303 QTWZCXMTKNNEPW-NRFANRHFSA-N 425.577 4.579 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749401671 BUEDKGUBZFBUPN-SQJMNOBHSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)c1nccs1 1749402711 QYCNNQALMSHETI-FXAWDEMLSA-N 439.585 4.843 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749411842 HBVJWPQBBJSPMK-GOTSBHOMSA-N 445.615 4.681 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCc1nccs1)C1CC1 1749515318 WOZVUNQUFXZMFD-UHFFFAOYSA-N 430.375 4.562 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@@H]1C(=C)C 1749532546 XLKUHXVFSNJBNQ-ISKFKSNPSA-N 443.551 4.892 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(=C)C 1749546860 FXHASZNPMVIFAN-URXFXBBRSA-N 447.558 4.961 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1C 1749810176 ALSGLVSBGINPSA-AVRDEDQJSA-N 433.556 4.807 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCCCO1 1760276224 XPZGXSNUXYDHEP-MJGOQNOKSA-N 444.670 4.503 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760300113 AENROTMBEAPALV-HLLBOEOZSA-N 449.393 4.818 30 10 IJEE C=C(Br)Cn1c(N(C)C[C@@H]2CCCOC2)nnc1C1(c2ccccc2)CCC1 1760314879 UKPCXOSFDZIUGZ-SFHVURJKSA-N 445.405 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCCSC 1760320175 SQQXOGQTJDGYCI-SIKLNZKXSA-N 437.613 4.664 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC)CC1 1760320918 ZKUJPSLYUROTGR-NZQKXSOJSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C)N1CCCCC1 1760330594 IRJAKCJUBLIKQJ-KRWDZBQOSA-N 449.441 4.703 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1nc(C)cc1C 1760331364 LZIBRGQTGPQYPT-UHFFFAOYSA-N 442.995 4.913 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1760352366 WFSIUROAXLUVRT-KRWDZBQOSA-N 429.590 4.964 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760372611 POBUAMMSRSBFSC-QHCPKHFHSA-N 440.979 4.525 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760379100 IIBQSYMQVZLQTL-VQIMIIECSA-N 441.790 4.672 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC(C)(C)C1 1760442479 BSKRCJZXCWWTAC-UHFFFAOYSA-N 432.996 4.833 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1760470039 UWJHOCJAUDAING-UHFFFAOYSA-N 449.502 4.827 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1F 1765093311 BGPRJNOHGTYBOP-UHFFFAOYSA-N 448.527 4.518 30 10 IJEE COc1cc(/C=C2/SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc(OC)c1O 1772739020 UNMTXLLKQSRYPR-AYACGFHNSA-N 447.516 4.921 30 10 IJEE N#Cc1ccccc1NC(=O)c1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn12 1858242630 DECNKPNZRMHETM-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE N#Cc1ccccc1COc1cccnc1NC(=O)COc1ccc(Cl)cc1Cl 1858739441 NIJHIVSVDFWGIP-UHFFFAOYSA-N 428.275 4.857 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)ccc1O 1862419192 RAEPMIMBHRTWPE-NRFANRHFSA-N 445.462 4.694 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc2c(c1)CCCN2C 1862421700 NZJYMGCYJNMUSM-JOCHJYFZSA-N 440.490 4.726 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1cccc(O)c1 1862602836 LQRBWDFZHJXGNF-DEOSSOPVSA-N 441.483 4.712 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862625620 KVJINLUYFALEFY-XKDCRVNJSA-N 433.504 4.881 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862673845 POLVHJZYCPQSFX-JOCHJYFZSA-N 445.425 4.620 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862727827 NBGOWUNFXBLCGZ-QFIPXVFZSA-N 428.444 4.860 30 10 IJEE COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCC3)cc(Br)c1OC 1865912315 JFGDPVHUHAGJGV-VOTSOKGWSA-N 433.327 4.540 30 10 IJEE CC(C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866772089 LGSGXKXRNMIWOO-QHCPKHFHSA-N 429.495 4.753 30 10 IJEE CC[C@H](C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866957545 URYODFMRILALII-PMACEKPBSA-N 429.973 4.582 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868261838 ACRMMBDQYKHSLE-OAQYLSRUSA-N 449.942 4.512 30 10 IJEE CN(CCc1cnc[nH]1)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868442370 QBZHRRONXGMCTE-UHFFFAOYSA-N 429.915 4.814 30 10 IJEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870302992 YRTHVSSNGMBVSJ-UHFFFAOYSA-N 436.537 4.528 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870837663 RJKOZVLNYQCGPY-UHFFFAOYSA-N 439.604 4.638 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(OCCCC)cc1 1870866343 LRWFPFHCPFKGLA-UHFFFAOYSA-N 442.556 4.546 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871453855 VHXWVMBZFARECG-OYKKKHCWSA-N 428.488 4.695 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCCCCCC)[nH]c(=Nc2cccc(O)c2)[nH]1 1871717664 VRZPMUSSVXLPOY-UHFFFAOYSA-N 438.620 4.896 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872089193 IHAYFFZWBNEGII-QHCPKHFHSA-N 428.598 4.932 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(OCC)cc1)c1ccccc1 1872604726 BLBAGIQONULOLK-QHCPKHFHSA-N 446.613 4.582 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccccc3Cl)n2)c(OC)c1OC 1872788436 IEFMZAKVIWHJGN-AWEZNQCLSA-N 428.897 4.979 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873243808 PHGBJIRVMKDWBP-AWEZNQCLSA-N 447.416 4.929 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657379 BMDUCXRIXGTKKV-CQSZACIVSA-N 427.911 4.898 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(F)cc1F 1874219741 BNVGNAYDPQEBST-ZVHZXABRSA-N 432.496 4.571 30 10 IJEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1sccc1C 1874398239 XOUHIHRFGHWMGQ-QLPFJNHISA-N 428.583 4.727 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2cccs2)cc1 1874416121 ZHSMLYXCJSNMGU-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)c1 1874425593 QFZAESJVCMSLMW-PCLIKHOPSA-N 443.532 4.567 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874528382 GFUZEGKKHCPLDJ-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cccnc1 1875099363 FBZLYGBJYDGHAH-JXMROGBWSA-N 433.460 4.613 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)CCOC 1875157097 SRUXTHNHBNGEGE-IZZDOVSWSA-N 441.480 4.955 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)c(C)c1C 1875167433 DZCDTEQXGPKUPB-CSKARUKUSA-N 447.487 4.840 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c(OC)c1 1875178597 RLZSBLKLUKRYSF-NTEUORMPSA-N 433.416 4.727 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc([N+](=O)[O-])c1OC(C)=O 1875179839 DDFLESVGDJBKJG-VOTSOKGWSA-N 433.844 4.785 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2ccccc2OCc2ccccc2)C3)OC1(C)C 1879730201 KSSNYPAPCKZOPL-IBVKSMDESA-N 433.357 4.964 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2078847149 PBOOHXRXLKLIGW-NTKDMRAZSA-N 445.560 4.976 30 10 IJEE O/N=C/c1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1Br 2079230248 PCGAJYKXFFJUBM-LKNXVUQUSA-N 434.109 4.679 30 10 IJEE C=C1[C@@H](O)[C@@H]2/C=C/C[C@@H](C)CCCc3ccc(o3)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C 2080455780 OTRBDQHTTQBOAZ-QWWWBKLZSA-N 445.603 4.976 30 10 IJEE Fc1cc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)c(F)c(F)c1F 2081370269 MJEGVEXCEYPHOS-UHFFFAOYSA-N 425.691 4.698 30 10 IJEE N#Cc1cnc(Nc2cc(Br)c(Br)c(Br)c2)c(N)c1 2095445995 ORLFAGDZBTYDPE-UHFFFAOYSA-N 446.928 4.567 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](Nc1ncc(C(F)(F)F)s1)C(F)(F)C(F)(F)F 2162404139 YMSAIRFMDCVZCO-LURJTMIESA-N 429.333 4.665 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCCC[C@@H]1CN(Cc1ccc(Br)cc1C#N)C2 2174629237 FGNWHIHTFKWWHA-UTKZUKDTSA-N 434.378 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2c2ccc(C#N)c(Br)c2F)C1 2174769786 NKXIETCQARYJSG-CABCVRRESA-N 438.341 4.686 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 2180917607 TZLJNMWMKOJUBS-UHFFFAOYSA-N 435.362 4.988 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](N)C#Cc2ccccc2Br)cs1 2227505638 MPHXTGROSNQNEI-SWLSCSKDSA-N 436.375 4.543 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2235727458 QOGHKOOPBDFWAQ-HKUYNNGSSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@H](N)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235745651 DQINBTNOQWVHCD-XMSQKQJNSA-N 435.406 4.801 30 10 IJEE C#CC[C@@H](C[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237404558 IDHCZAYONLUGCU-IHPCNDPISA-N 435.406 4.652 30 10 IJEE CN[C@@H](C#Cc1ccc(C)cc1)c1ccc(I)c(Br)c1 2239630271 APPPPLYXQATCDP-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247905069 FIWRSYZCYXEWDJ-INIZCTEOSA-N 428.407 4.519 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(F)c(F)c(Br)c(F)c1F 2267840562 DIUDXLFGAJHSNM-AYVTZFPOSA-N 441.263 4.865 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 2296179588 IHUUHOKTRCGFBS-HSZRJFAPSA-N 429.472 4.639 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)C#Cc2cccc(Br)c2)cn1 2296228185 WLDOELYRGNGQJN-UHFFFAOYSA-N 429.314 4.840 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296268031 ZOHNWFCIUPAOGT-LEAZDLGRSA-N 433.390 4.567 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)C=C1NCCc2cc3c(cc21)OCCCO3 2296280441 MUACAIZAHBBQCU-ZDUSSCGKSA-N 434.319 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@@H](N)C#Cc1ccc(Br)cc1 2296310854 OSKKRIDQZOJRMI-SIKLNZKXSA-N 435.406 4.992 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2cccs2)[C@H]1c1ccc(C(C)(C)C)cc1 2296601175 AUBOCHNEOREIQI-OAQYLSRUSA-N 440.609 4.809 30 10 IJEE C#CCCOC(=O)Nc1c(Br)cc(Br)cc1Br 2300720805 ZMWIYSIFHLFKPY-UHFFFAOYSA-N 425.902 4.546 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 2306623709 RJUFAQRLWWYWHD-LOSJGSFVSA-N 428.573 4.699 30 10 IJEE C=C(Br)CCN1CC[C@H](CCNC(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 2315911097 BYFSSOSSTPCDGM-UONOGXRCSA-N 429.321 4.843 30 10 IJEE CCCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc(OC)cc1 2322223656 MUBJVZKJIIAOTB-UHFFFAOYSA-N 440.569 4.648 30 10 IJEE Oc1nc(NN=Cc2ccc(OCCCc3ccccc3)cc2)nnc1-c1ccccc1 2323283540 FDBHAZMEAPKIHP-UHFFFAOYSA-N 425.492 4.702 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)NC1CCCCC1 2324261430 JVASAJWDRLMUOT-UHFFFAOYSA-N 429.463 4.697 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(O[C@@H](C)C(=O)OC(C)C)cc(C)c3C1=O)cn2C 2324305343 GQEZQWRBHOYBLU-INIZCTEOSA-N 449.503 4.830 30 10 IJEE COc1cccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)c1 2324383494 QQORVTQSPUSCAN-IBGZPJMESA-N 448.500 4.642 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OCC(=O)OC 2324623805 WTFPUNXRZDEGTK-UHFFFAOYSA-N 430.884 4.534 30 10 IJEE CCCOc1ccccc1C=CC(=O)OC1CCC(NC(=O)c2cccc(C#N)c2)CC1 2325873249 YRUXEJVHXLFKQV-UHFFFAOYSA-N 432.520 4.645 30 10 IJEE Cc1cccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SCCCO)c1 2326418099 ZUKIICSERCCQOB-UHFFFAOYSA-N 438.597 4.572 30 10 IJEE Cc1ccc(C=CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc2C#N)cc1 2327007284 AXWVSSGHXMWOID-AREMUKBSSA-N 448.526 4.727 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2N=Cc2ccc(Cl)c(Cl)c2)cc1C 2328977690 QFUOIMLJQJZNGL-UHFFFAOYSA-N 449.407 4.954 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(SCCCO)nnc1-c1ccccc1Cl 2329607800 KMSPTQGGGZIXDJ-UHFFFAOYSA-N 430.961 4.742 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329761482 JAMUEGMWCWJUSJ-UHFFFAOYSA-N 440.544 4.964 30 10 IJEE C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2329926213 TXXDPNZXOKGEDM-VGOFRKELSA-N 444.531 4.868 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C(C)=Cc1cccc(Cl)c1 2330122116 SWYYSYRQIWUHGL-QHCPKHFHSA-N 440.946 4.811 30 10 IJEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)ccc1O 2331138201 MQICGLSVTDUNDD-UHFFFAOYSA-N 436.459 4.802 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 2331211514 VRLBOUSAIZMDBW-UHFFFAOYSA-N 432.505 4.542 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(F)cc1F 2331319331 IGRWEPGQMREZGI-UHFFFAOYSA-N 429.496 4.512 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1)Nc1ccccc1F 2331485740 VVRPTWXCCBOSQN-UHFFFAOYSA-N 443.935 4.951 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(F)cc1)c1ccccc1 2331543824 ZYRTZKATJYIKLE-INIZCTEOSA-N 437.544 4.536 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)c1 2331727476 XOIXSQPZSKZRCU-UHFFFAOYSA-N 430.537 4.558 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339584658 DTUFUIHCXXMKAJ-XIQMRYHBSA-N 444.381 4.798 30 10 IJEE Cc1ccc(CNC(=O)OC(C)(C)C)cc1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2344998011 UPYVHVGNFCGSCX-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CC1(C)OB(c2cc(Nc3ccc(Br)cc3Cl)ncc2F)OC1(C)C 2345723803 DFOIBGZCXADXDD-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE N#Cc1ccc2c(ccn2Cc2ccc(I)c(Br)c2)c1 2377322681 XOQGRTVJXONHNQ-UHFFFAOYSA-N 437.078 4.928 30 10 IJEE CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C#N)cc1 32998113 JMGFKYADIRBLLJ-HXUWFJFHSA-N 437.912 4.620 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)S/C(=C/c2ccc(OC)c(O)c2)C1=O 36258321 JPADJAHPYNVYBQ-GZTJUZNOSA-N 431.897 4.598 30 10 IJEE CC(C)(C)c1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc3c(c2)OCO3)cc1 46128629 FHEYQWXZUGFQPO-UHFFFAOYSA-N 430.508 4.506 30 10 IJEE COc1ccc2cc(COC(=O)/C=C\c3ccc(OCC#N)c(OC)c3)c(Cl)nc2c1 96402942 HWROWWAECUBFJD-YWEYNIOJSA-N 438.867 4.564 30 10 IJEE CCCCCOc1c(OC)cc(/C=N\n2c(S)nnc2-c2cccs2)cc1[N+](=O)[O-] 169912524 ZCZPCGYRTLNFJJ-NDENLUEZSA-N 447.542 4.663 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(OC)c2)c1 169928546 YASDTQNRRGZPLJ-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2cccs2)c1 169928672 USHOIRIKIARFFZ-HSZRJFAPSA-N 433.529 4.854 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1OC 169949678 KUXZWMPDHUXPMK-QHCPKHFHSA-N 446.503 4.706 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970900 IUEWDTPOJLJHHM-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)s1 170009693 ZRVCUIJKVWARIE-GOSISDBHSA-N 439.924 4.900 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2C)c1 170086249 JFEXVBYLNUEFQG-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(C)c2)cc1 170142071 OSEPICUPPZPDBT-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1C 170189029 XIZDUKOQVUKYDL-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 170195208 XYDABBYRCKJUSD-GOSISDBHSA-N 429.314 4.531 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccnc1 170195761 KQTXKKRGPQZQEB-XMMPIXPASA-N 442.515 4.957 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccncc3)oc12 170209509 KKRJNPOYCUVPHB-NRFANRHFSA-N 432.476 4.747 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12 170256647 LBFSPMFDOGXOSL-QFIPXVFZSA-N 434.467 4.837 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1C 170270099 PCCBVNZTNWESHU-QFIPXVFZSA-N 437.536 4.526 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)cc1Cl 170275065 WAHQWDPTEVUGAD-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1CCCOC(C)C 170278196 LQXDJWYOAJHEFD-XMMPIXPASA-N 449.547 4.713 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)c(C)c1 170290703 QNAQXNUQKSAEIU-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCOC(C)C)o1 170310592 XEBHNRIDAJWUIJ-QFIPXVFZSA-N 441.524 4.769 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1O 170409208 DRGNTWVQSMOEIJ-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccc2OC)cc1 170454050 VDUOKUDYJISDCL-HSZRJFAPSA-N 446.503 4.917 30 10 IJEE C=CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1C12CC3CC(CC(C3)C1)C2 253570109 NELJTVDAJLFYIF-UHFFFAOYSA-N 437.565 4.636 30 10 IJEE COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254824002 MURKFWRZHBTQRB-UHFFFAOYSA-N 448.460 4.878 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(Br)cc1OC 469097773 QTEMMPLUBAFJGL-OAHLLOKOSA-N 428.330 4.788 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)c3sc(-c4ccccc4)nc3C)cc2C1=O 469350166 ZDXUXOVOORMKII-INIZCTEOSA-N 445.544 4.734 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O 476081814 VOFPFVANRAQWIJ-UHFFFAOYSA-N 449.551 4.685 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 497471822 IEGKTAIMGAQTNA-AWEZNQCLSA-N 441.984 4.684 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 508492634 WUSUZDCPWXDUCK-HXUWFJFHSA-N 444.457 4.736 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 508747947 QDDAQMGAXHBPGE-NRFANRHFSA-N 432.616 4.629 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2C1=O 510281068 DTWKJVILSMYTHW-UHFFFAOYSA-N 437.455 4.693 30 10 IJEE CN(C)c1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526636815 HQIOXZUUEJLIJQ-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE C=CCc1cc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc(OC)c1OC 543832392 ARCGHJZGLPIBJU-HXUWFJFHSA-N 435.442 4.665 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2ccccc2C)C1 549724438 JCSZOAGPLMMDSO-SDHOMARFSA-N 444.579 4.986 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 569360556 ZXTMSRGTPZOMNQ-MRXNPFEDSA-N 427.574 4.720 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)c1cccc(C(F)(F)F)c1 586257479 DJUVOHBZZRMKIL-UHFFFAOYSA-N 432.851 4.866 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2sc(C)cc2C(=O)OCC)c1 586684812 OXQMHDZFHQZAEZ-UHFFFAOYSA-N 427.526 4.691 30 10 IJEE CSc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740502631 HPHXGASHRHOUEY-UHFFFAOYSA-N 441.965 4.917 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 744029317 QQQLFNIKXWXVRF-NRFANRHFSA-N 433.552 4.548 30 10 IJEE N#Cc1cccc(-c2nnc(COC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)o2)c1 764057614 OVJQPZQZBLASJD-SXGWCWSVSA-N 433.773 4.951 30 10 IJEE COC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(F)c(F)c1 773587668 BPGZRIAUKVYMAP-FQEVSTJZSA-N 427.476 4.752 30 10 IJEE CCOC(=O)[C@@H]1CCCN(CN2C(=O)C(=Nc3ccc4ccccc4c3)c3ccccc32)C1 1083897006 DGRCNJRWVIWWFB-OAQYLSRUSA-N 441.531 4.540 30 10 IJEE C=CCOC(=O)/C=C\c1ccc(OCc2ccccc2C)c(I)c1 1084571692 VXGFKQXHCRTWNU-LUAWRHEFSA-N 434.273 4.921 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCCN1C(=O)OC(C)(C)C 1125553618 NZHMDMAIVNHOJM-XMMPIXPASA-N 445.629 4.520 30 10 IJEE C[C@H]1CCc2sc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)c(C#N)c2[C@H]1C 1129472176 FGJOBPMHCKNDLO-RYUDHWBXSA-N 440.550 4.789 30 10 IJEE C=C(C)[C@@H](CC(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21)OCC 1129568589 HASOSZJQAMOYHG-AUUYWEPGSA-N 425.342 4.665 30 10 IJEE Cc1cc(N2C[C@@H](C(=O)Nc3cc4ccccc4cc3C#N)CC2=O)ccc1Br 1129674440 HAWBICZKDGSCLJ-SFHVURJKSA-N 448.320 4.774 30 10 IJEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)C1CCCCC1 1136512511 BFEBSJLMCDEWQX-NRFANRHFSA-N 428.573 4.836 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 1144127623 JDTAICYHSDTJND-MRXNPFEDSA-N 429.442 4.817 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC(Cc3nc(CC)cs3)CC2)cc1OC 1144174293 DBEULCWQVGWBFG-VQHVLOKHSA-N 426.582 4.773 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(Oc2cccc(Br)c2)cc1)C(=O)OC 1155475639 RSCGICGDDCIPDZ-IBGZPJMESA-N 432.314 4.869 30 10 IJEE CCCC[C@@](C)(NCC(=O)NCc1ccc(C#N)cc1)c1cccc(Br)c1 1169932983 GAJPAKNKZGJUAM-JOCHJYFZSA-N 428.374 4.632 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1F 1197488268 GRJFEOWNFTVCCX-HNNXBMFYSA-N 428.632 4.580 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3cnn(CCOC)c3c2)cc1OC 1201309438 WAZZEDCAWUTHJG-UHFFFAOYSA-N 446.345 4.631 30 10 IJEE COc1ccc(CCNC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 1203659874 AILGLARPQLABML-INIZCTEOSA-N 438.343 4.998 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N(CC)C(C)=O)nc1 1219431763 NESCPCVRUUOVEC-UHFFFAOYSA-N 449.324 4.576 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)C(C)(C)C 1220222022 YRVLGCSKXHDYMM-SFHVURJKSA-N 428.330 4.871 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)ccc1OC 1221923439 BALHYPJYIVDREY-INIZCTEOSA-N 448.350 4.951 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 1226734699 LCGOQOCGOGBPFS-FPOVZHCZSA-N 434.870 4.733 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 1227480089 QAQOEPSJZUONFN-OXJNMPFZSA-N 427.372 4.775 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1)c1ccc(F)cc1 1230478727 NLTWBOAATQJQQM-QHCPKHFHSA-N 432.495 4.929 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2cccc(C(F)F)c2)c(C(=O)OCC)c1C 1264357204 HNWUEQYBMGWECZ-UHFFFAOYSA-N 437.464 4.695 30 10 IJEE Cc1nc(-c2cc(NC(=O)C(F)(F)c3c(F)cccc3F)cc(C(F)(F)F)c2)n[nH]1 1276883672 GUXXPFMPIOWGGW-UHFFFAOYSA-N 432.299 4.808 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCOC1CCCCC1 1286289396 LYYXGCAQLKAOHZ-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1nc(C)cs1 1286365746 INQCIEVVPGAQLU-CABCVRRESA-N 425.627 4.769 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCc1ncc(CC)s1 1286458303 PRIBSXKHXPKCGC-UHFFFAOYSA-N 425.577 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CCCCC1 1286529103 SRBVPRPKIVVODR-NBGIEHNGSA-N 441.620 4.923 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OC(C)(C)C)CC1 1286554986 ZWKYNTUYMFRNLY-GHTZIAJQSA-N 428.577 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1286559447 WPQKOSQTAPZCIU-NRYAXDJKSA-N 435.547 4.582 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](C(C)C)C1 1286593441 NISHSLABHMJUPF-IBGZPJMESA-N 449.665 4.547 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286624237 XGZPAASGQQHNHW-SFHVURJKSA-N 440.979 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1286671100 RCNIKMFLAVVQNH-MOPGFXCFSA-N 448.615 4.760 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286674169 OEHQQDMBVIGSAR-UHFFFAOYSA-N 436.522 4.559 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1Cc1cccn(CC)c1=O 1286747815 MVWYTAXLUIZLLC-UHFFFAOYSA-N 445.592 4.738 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](C)N(C)C)C1 1286802399 AVFTZCBLOQUBMK-HZPDHXFCSA-N 446.020 4.545 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nc(C)c(C)s2)C1 1286804170 MCDSGUXUNRIULR-SFHVURJKSA-N 429.977 4.501 30 10 IJEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCCCC2)C1 1286980399 AMRPUQKHXSADLL-JOCHJYFZSA-N 448.615 4.528 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1293754909 FSEAQVDLFOQFSY-UHFFFAOYSA-N 427.570 4.844 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl 1298613499 ZWDMGLGPSKCQNU-PZJWPPBQSA-N 432.992 4.960 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1300413280 RQTDIWQKSMIXQV-OAQYLSRUSA-N 433.625 4.994 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H](C)N1CCCCC1 1300605921 CFWNOROQPLPZQO-UXHICEINSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1Cc1ccsc1 1300789767 XTIWRVLLDDHKAZ-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1300896851 KUGOKZULPIRDFM-MSYCTHLASA-N 442.579 4.850 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1300964372 ZWBZPKWESGNNQK-IBGZPJMESA-N 438.494 4.633 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 1301066514 RBOYFZSHFQTGDO-FQEVSTJZSA-N 425.577 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 1301141154 IYGLRBQQJLWQMM-UHFFFAOYSA-N 434.563 4.710 30 10 IJEE C=CC[C@H](Cn1c(N(C)CC(C)(C)C)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301169037 ZJLKCZBGRXGJAQ-PXDATVDWSA-N 426.605 4.772 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](COC)C1 1301240122 ZGHHDKOWLOCCSQ-INIZCTEOSA-N 447.004 4.879 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H]1CCSC1 1301241913 ZHBGCRMCBQCJEZ-GOSISDBHSA-N 432.659 4.810 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1Cc1ccc(N2CCCCCC2)nc1 1301299465 LPNBWUKBXZBDKE-UHFFFAOYSA-N 430.600 4.623 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1OC 1301359658 NBDWGWSZMOQVTH-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1ccc(-n2nc(C)cc2C)nc1 1301384830 VQWFJDDWXWOMAO-UHFFFAOYSA-N 443.530 4.508 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301436254 XDKSOICDLHZZNM-SUMWQHHRSA-N 437.769 4.552 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCCC(=O)c3ccc(Br)cc3)cc21 1304215929 AWRHACZNTIFIMR-UHFFFAOYSA-N 426.314 4.977 30 10 IJEE CC(C)Oc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 1309502484 DLCPIHKATZZFLS-RISCZKNCSA-N 437.377 4.507 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1)c1ccc(F)c(F)c1 1311851139 PSKOENYXUBPEIH-IIBYNOLFSA-N 435.902 4.822 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)Cc1c(OC)cc(OC)cc1OC 1312720384 INDPDOMWZIDYFC-CQSZACIVSA-N 438.977 4.756 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1312735631 AOJGZDZILUNOBU-IBGZPJMESA-N 433.335 4.758 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1312941692 HFECMKUVSXSJNO-VQIMIIECSA-N 437.943 4.632 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1314923142 BHVBKPWCUWBKDJ-WNCULLNHSA-N 448.659 4.704 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@H](C)[C@@H]2C)CCCC1 1315976796 IFNBRTHXLRIZHN-RBUKOAKNSA-N 439.629 4.744 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1CCSC(C)C)[C@@H]1CC[C@@H](C)C1 1316075313 BLNOIXARMSPFOO-WIYYLYMNSA-N 427.618 4.600 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)cc(OC)c1OC 1351766570 QGWKTRYFEWONTF-UHFFFAOYSA-N 438.911 4.783 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1359124289 UVUGCCOJCOETKT-HUUCEWRRSA-N 437.407 4.526 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@H](SC)C1 1359135396 BZMLTFMUSSORFZ-NRFANRHFSA-N 444.645 4.789 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359188799 VEQROTVFVHDVHE-QGZVFWFLSA-N 446.542 4.710 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCO[C@@H](C)C1 1359197049 BMEOXLVCHOBORR-JTAQYXEDSA-N 440.588 4.788 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCC[C@H](C)C1 1359258609 WREUUBUMKYLQCH-QFIPXVFZSA-N 446.643 4.987 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(C)(F)F)C1 1359325630 JIKVHCJUNXMQAJ-FQEVSTJZSA-N 448.558 4.981 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)C1 1360138052 AGGJWVPIZKEAHL-TZIWHRDSSA-N 432.572 4.728 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)c2)cc1 1360158092 GCNWWPQZEBNGKG-QGZVFWFLSA-N 431.879 4.996 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC=CO2)C1 1360783084 CEDMITWQHUNOTO-KUHUBIRLSA-N 448.390 4.592 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CC(C)(C)NC(=O)OCc2ccccc2)C(F)(F)F)cc1 1436239745 SNNMGVZYDIRNRA-FQEVSTJZSA-N 433.426 4.910 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 1440408668 URHWPKZJZZYHNM-UHFFFAOYSA-N 430.378 4.576 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 1450537089 BTCCWNXHXHJCNL-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE CC(C)c1ccc(SCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1 1452951649 HCYNFEOQMIIYOO-UHFFFAOYSA-N 445.592 4.513 30 10 IJEE COc1ccc([C@H](NC(=O)c2ccc(C#N)s2)c2ccccc2)cc1Br 1456033244 APRNPKMBUSMVTN-LJQANCHMSA-N 427.323 4.910 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1456894705 KGIILUAJGBZJJZ-WVXBCFDCSA-N 428.554 4.666 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 1462175886 IBJORGJAHJIGIM-LJQANCHMSA-N 441.856 4.803 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCC(c3ccncc3)CC2)n(-c2ccc(C#N)cc2)n1 1466519892 GELNAVCAHOVJBM-UHFFFAOYSA-N 428.540 4.848 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 1470075749 ZMCJVIZWUSROAH-VGSWGCGISA-N 430.545 4.800 30 10 IJEE C#CCN(C(=O)Nc1cccc(Cl)c1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1475905717 QBFRGCDCJNOIRE-UHFFFAOYSA-N 426.344 4.860 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 1478751032 OLJLKEHARYZVTQ-LJQANCHMSA-N 425.495 4.805 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1nc2c(s1)CCCC2 1496339355 FWZUTPFWKSOWPS-AZUAARDMSA-N 448.640 4.994 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCCO1)SC 1496526248 CHNVXCPDVRJTRK-FQEVSTJZSA-N 427.618 4.744 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1502293237 APHLFQGOHBMIKR-AZUAARDMSA-N 440.661 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CCCCS1 1507522220 BMLUULBEFKPHEF-QUCCMNQESA-N 442.629 4.876 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507672600 FMUIHJMQAYTLBL-PMACEKPBSA-N 444.501 4.922 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CCc1ccc(Cl)s1 1507700957 YUUJTCWAQIJIPL-UHFFFAOYSA-N 447.029 4.996 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCC1(C)C 1507714243 KIMGUYKZNJFLIX-FQEVSTJZSA-N 426.630 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H](CCC)OC 1507815765 SQVPHJCQAAENTC-AWEZNQCLSA-N 427.412 4.987 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1507824519 BCMQPQWYSJKBJF-HXUWFJFHSA-N 444.482 4.901 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1507853151 AONLDJXAHIOINR-RBUKOAKNSA-N 436.991 4.626 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(N(C)c2ccccc2)CC1 1507868596 CBPNTEJPWPMIQY-UHFFFAOYSA-N 428.005 4.788 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1507881810 ZFSKSTXLNXCAAN-UHFFFAOYSA-N 425.577 4.531 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ncccc2C)CC1 1507898408 YHXPDCJITVUFIA-UHFFFAOYSA-N 438.373 4.862 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1507945633 JDQQDSQOCMGJJO-VWLOTQADSA-N 434.588 4.658 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCC(C(F)(F)F)CC1 1507974989 ISUFYBVMVMMZFJ-UHFFFAOYSA-N 438.494 4.953 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1507976067 YXNWPCXGMURIKM-PMACEKPBSA-N 432.616 4.872 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC)CC1)C1CC1 1507994048 RDYOSMBXGUPVEC-UHFFFAOYSA-N 429.609 4.738 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCN1CC 1508015369 SRPMMFZGTNFDMD-UYAOXDASSA-N 425.646 4.794 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1OCCC1(C)C 1508023095 AIEJDKMMCRCGLO-QHCPKHFHSA-N 431.584 4.699 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(COc2ccccc2)CC1 1508049734 GOVVCHNFJWLMLN-UHFFFAOYSA-N 442.361 4.517 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)[C@@H]2C[C@@H](OCC)C23CCC3)nnc1C(C)(C)C 1508108752 LGUIUVOYQZZMCX-FGZHOGPDSA-N 438.616 4.973 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CC(C)(C)C2)c1 1518067349 GWOWDVHEOWLPAV-CQSZACIVSA-N 446.393 4.748 30 10 IJEE CC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc(C(F)(F)F)c1 1519193471 HXKRLHDGZRIFIX-UHFFFAOYSA-N 440.381 4.975 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c1 1520385236 NVKAJGCCCYVUES-UHFFFAOYSA-N 446.463 4.809 30 10 IJEE C#C[C@H](NC(=O)Cn1c(-c2scnc2C)nc2ccccc21)c1ccc(Cl)cc1F 1525069233 CVCUZCWCHCCCSP-KRWDZBQOSA-N 438.915 4.751 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)c1 1529647396 QNNSSOQOMTVDSG-UHFFFAOYSA-N 434.471 4.744 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1OCc1ccccc1 1531580250 NOWMRZJKVCTGII-UHFFFAOYSA-N 448.346 4.990 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 1532323121 PGUOTKSBFDKVQR-GOSISDBHSA-N 432.362 4.698 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2c3ccccc3N(C)C(=O)C2(C)C)s1 1534546896 QZIHECNWIWDFPA-UHFFFAOYSA-N 436.002 4.627 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)c1cc(-c2ccc([C@H](C)CC)cc2)nc2ccccc12 1534591971 OHGVXWKQYORZKQ-GOSISDBHSA-N 436.577 4.746 30 10 IJEE C#C[C@@H](NC(=O)CSc1ccc(Br)cc1)c1ccc(Br)cc1 1535479269 NPRWWONKLWISKH-MRXNPFEDSA-N 439.172 4.794 30 10 IJEE CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)Cn1nc(C(F)F)cc1C(F)F 1537083937 FUEWACDUUUXJTK-UHFFFAOYSA-N 425.348 4.868 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 1537254030 ARJGZQZPRGHVDZ-FQEVSTJZSA-N 436.886 4.840 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1539153356 AWBGUGPESYNFTB-YADARESESA-N 435.597 4.794 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1 1539197404 HDQBRYFTOGUEGJ-UHFFFAOYSA-N 439.512 4.995 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCSC1 1539352394 XTRNAGYGDVHXKM-IBGZPJMESA-N 436.581 4.720 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1539587799 LNAGHTIFNMUGCF-WBVHZDCISA-N 447.377 4.640 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN(C(C)C)C(C)C)CC1 1539840481 UVGPZMGHSUOWPD-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1539871383 MPSFBSHLEGLILI-IBGZPJMESA-N 443.542 4.985 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1N(C)CCCC1(C)C 1540047042 DISLUIVETRHUSL-UNMCSNQZSA-N 425.621 4.778 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN(C(C)C)C1 1540048237 SAIKMHKSSMWTJE-FGZHOGPDSA-N 425.621 4.778 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCCO1 1540056403 GAYZELYRVYAZSU-CQSZACIVSA-N 425.758 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CC[C@](C)(CC)O1 1540139250 BFTDQTUBCFSVHU-ZYKOEDHHSA-N 428.552 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1cccnc1 1540140195 LUVUPMCSEPGTQY-UHFFFAOYSA-N 446.536 4.745 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCSC1 1540180739 UJUQRGBXQBVCLT-FCHUYYIVSA-N 426.630 4.898 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1540854284 WGAPDGZIWGBLEF-VXKWHMMOSA-N 444.583 4.565 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2C[C@H](F)C2)C1 1540884772 UMJHHDHNHWFGNK-ATZDWAIDSA-N 449.368 4.627 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N1CCC[C@@H](C)C1 1541106708 AWSWFVOEQRKLOX-ZACQAIPSSA-N 449.430 4.968 30 10 IJEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCC(F)(F)F)ccc1OC(C)C 1554732835 CSFASFAQNYBDSE-OAHLLOKOSA-N 439.482 4.822 30 10 IJEE Cc1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1NC(=O)Nc1ccccc1 1557483770 GWXCLYRBWIRYFQ-UHFFFAOYSA-N 445.548 4.535 30 10 IJEE C#CCN(C(=O)c1cc(Br)c(C)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1558370527 PDPVUKKPJLHPCI-UHFFFAOYSA-N 449.389 4.541 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1559983438 QTVUEPOHSHXAEJ-INIZCTEOSA-N 438.424 4.780 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCN1c2ccccc2C[C@@H]1C 1562928555 NEUKIGAQYHYXNR-HNNXBMFYSA-N 430.346 4.587 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3cccc(OC)c3)CC2)cc(OC)c1OC 1563814808 MBUWGQYBCKBFOA-UHFFFAOYSA-N 438.568 4.605 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1 1564913875 XLXNTEYOBUENEM-NRFANRHFSA-N 438.568 4.789 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](CC)Cc1ccc(Br)cc1 1565120588 SYLYTFOVFFDHIA-GOSISDBHSA-N 435.362 4.643 30 10 IJEE C#CCOc1ccccc1NC(=O)c1cc(I)c(Cl)cc1Cl 1567742575 XIKKNPBHYKAMBQ-UHFFFAOYSA-N 446.071 4.862 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H]2C[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 1584750474 CYBKZLWLVANLJY-UYAOXDASSA-N 438.984 4.797 30 10 IJEE C#CCN(C(=O)c1c[nH]c2cccc(F)c12)[C@@H]1CCOc2ccc(Br)cc21 1586216262 CAPRCTNMVDMQJG-GOSISDBHSA-N 427.273 4.669 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCSC 1586439725 LAUMPDKEQQXJPI-QHCPKHFHSA-N 438.593 4.729 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC1CC(OC(C)(C)C)C1 1587674392 ZLMHOHYGGVBAAS-MPQSDHOMSA-N 445.007 4.952 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(F)(F)F)C1 1589357530 BYCGVGUUILBHAF-AWEZNQCLSA-N 429.284 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1589544569 IUELQKIZZUARLI-LPHOPBHVSA-N 442.913 4.892 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1589567137 ANVRCRBJBPPZKX-LGVFNWMJSA-N 449.599 4.582 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1593695538 FWRBWSHLNCFDCD-VDGAXYAQSA-N 430.980 4.899 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1593740741 DRBDVCQAWBQAFP-JOCHJYFZSA-N 440.588 4.887 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCC(C)(C)C2)CC1 1594208171 BYGHHFBGQDKQIK-UHFFFAOYSA-N 429.012 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1594528631 LMCFBXMKINUTBL-NHCUHLMSSA-N 428.552 4.746 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC)[C@H](C)C1 1594679229 BGZWHDZLNYWJNX-OAQYLSRUSA-N 432.616 4.849 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C 1595166231 RMQWDYBAFUNCDT-RPLLCQBOSA-N 449.643 4.569 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C 1595171776 YJQOSQXUNKFNFC-PCCBWWKXSA-N 433.710 4.896 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(CC)Cc2cccs2)cc1 1595613247 AUVPDKYHCMHGLR-FQEVSTJZSA-N 438.597 4.873 30 10 IJEE COC(=O)c1cccc2c1CCN2C(=O)c1ccccc1SCc1ccc(C#N)cc1 1597669243 AHVXAIODLOAYAB-UHFFFAOYSA-N 428.513 4.840 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(C(=O)OC)oc1CC 1613299547 WAAYKGFNLFSIFI-UHFFFAOYSA-N 447.944 4.931 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(OCC(F)(F)F)cc1 1621685158 CSMJSTJJSGTGBB-JTQLQIEISA-N 445.356 4.825 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)cc1 1622886981 ZZYGMFMAZVCPLZ-OAQYLSRUSA-N 447.988 4.906 30 10 IJEE CC(C)N1CC[C@H](N(C)C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1625884185 GKSKIAWEHUPRFL-AWEZNQCLSA-N 429.380 4.922 30 10 IJEE C#C[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1 1631246571 XGLOHZPCBHMMHG-QFIPXVFZSA-N 430.379 4.879 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3C#N)C[C@@H]2C1 1634448447 CQGZWGDTMDMSQP-KDURUIRLSA-N 449.576 4.648 30 10 IJEE C#C[C@H](NC(=O)CCN(C)C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1638916666 HMTPNQUUZAYIMG-SANMLTNESA-N 438.527 4.748 30 10 IJEE C=CCOC[C@H](NC(=O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1)C(=O)OC 1639559035 SHBAHJFJRXBFQS-KRWDZBQOSA-N 440.348 4.619 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccccc1 1640208865 XJLOCDAMVXJEDN-PMERELPUSA-N 426.538 4.838 30 10 IJEE C=CCOCSc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@@H]1CCCO1 1640689640 WDOCRGJSQPVMHK-KRWDZBQOSA-N 428.579 4.865 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(c3cccc(Cl)c3)CCCCC2)c1 1641085396 KMLWHXBAPIFRLM-UHFFFAOYSA-N 443.996 4.769 30 10 IJEE C=CCN(Cc1ccc(Br)c(F)c1F)[C@@H](Cc1ccccc1)C(=O)OCC 1642726762 ZXXBFUNBDPYGDS-SFHVURJKSA-N 438.312 4.890 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1Cl 1642872613 NBLLBDZIIUWQGD-OAHLLOKOSA-N 445.785 4.968 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1649400783 DDCXDHGVXLTRGH-FQEVSTJZSA-N 441.572 4.590 30 10 IJEE C=CCn1c(SCc2cc(Br)cnc2OC)nnc1-c1ccc(OC)cc1 1651597009 XITWXVUJMNVIGC-UHFFFAOYSA-N 447.358 4.598 30 10 IJEE Cc1ccc(C)c(N2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1 1653557167 CPDRTIXQYYUNLO-IBGZPJMESA-N 436.625 4.655 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)Cc1cc(C)ccc1Br)c1ccc(F)c(F)c1 1655031105 IFYKRPOBPJQGSY-SFHVURJKSA-N 430.314 4.773 30 10 IJEE O=S(=O)(c1cc(F)ccc1N1CC(Cc2cccc(C(F)(F)F)c2)C1)C(F)(F)F 1655534075 AHKARWZGVJJEHZ-UHFFFAOYSA-N 441.368 4.817 30 10 IJEE C#Cc1ccc(CNCc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)cc1 1659830703 DJLKRHJXAQVFQG-UHFFFAOYSA-N 443.776 4.625 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 1660163527 FSNLVBRYNOKWTL-IBGZPJMESA-N 444.354 4.718 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccccc1C(=O)OCC)c1ccc(C(F)(F)F)cc1 1661028321 AGIWGRMPAUKTJP-SFHVURJKSA-N 441.471 4.868 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccccc1-n1cccn1 1662573897 PVDBJGBWKFMULC-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1 1663017987 LLGWZOQXKNGMMN-IRXDYDNUSA-N 429.483 4.839 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(-c2csc(C)n2)s1)c1ccc(Cl)cc1F 1663280010 PJVNWFMMIYMMRS-AWEZNQCLSA-N 426.947 4.625 30 10 IJEE CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1670433340 CXRJNESRLQQBQY-XTWGIRIWSA-N 436.556 4.628 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccccc1-n1ccnc1 1670841434 IEFFCJYOTWHHKI-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cc21 1673307717 XYXWOMDDCGAKJF-HXUWFJFHSA-N 441.329 4.590 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(OC)c(Br)c1)c1ccc(F)c(F)c1 1678213548 OZPLDCGJTSACTK-GOSISDBHSA-N 425.273 4.853 30 10 IJEE C=C(C)[C@@H](NC(=O)N(C)C[C@H](O)c1ccccc1Br)c1ccc(F)c(F)c1 1680280276 LUGWYLHUMNJYKN-RBUKOAKNSA-N 439.300 4.720 30 10 IJEE CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 1680809311 GJQVCWZCINTOAS-PKTZIBPZSA-N 426.511 4.788 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)[C@H](c1cc2cc(Br)cc(C)c2o1)C(C)C 1682794101 CCXBYHVVVJRHDC-FQEVSTJZSA-N 448.405 4.797 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3c(cccc3C(F)(F)F)C2)cc(OC)c1OC 1683366755 BJOYJCYNJBDDNM-UHFFFAOYSA-N 434.458 4.719 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC(C)=C(Br)C1 1689898112 SCJIKPMGZGSBRS-UHFFFAOYSA-N 443.389 4.560 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1Cc1cscc1C(F)(F)F 1690004656 AONKOJZCASGYSO-UHFFFAOYSA-N 434.874 4.800 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)c1nc(C)cs1 1690062679 YYRODVBYUBMDCW-AWEZNQCLSA-N 431.512 4.575 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCN1CCCCCC1 1690091440 TXLRXPZGQRVFRG-UHFFFAOYSA-N 425.596 4.522 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccccc1 1690159927 QYPVDKLOBYLZBU-OAHLLOKOSA-N 444.402 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1cccs1 1690209359 ULHRKBMZHOTQPG-JOCHJYFZSA-N 425.627 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(CN2CCCCC2)cc1 1690268634 SOOMARHVWRVSQT-UHFFFAOYSA-N 444.627 4.701 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@@H](C)c2cc(F)ccc2F)nnc1[C@@]1(OC(C)C)CCOC1 1690354572 VJEVAJCEVPMXAS-YCRPNKLZSA-N 440.922 4.547 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1690379351 OKXCIGYGPQSQOR-UHFFFAOYSA-N 449.502 4.579 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1690445016 QABRBXNTDAFKLR-MOPGFXCFSA-N 432.490 4.841 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC=C(C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690447891 ZJCBLFNBWKWUCZ-OZXSUGGESA-N 436.600 4.835 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCc2cccnc21 1690515761 SVZCWBTVFFPSLB-FPOVZHCZSA-N 447.583 4.954 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1690579918 XLDPGDKJSBHGMI-NRFANRHFSA-N 447.564 4.676 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1690581109 KYKGKWCXUVRLKF-SVFBPWRDSA-N 429.634 4.504 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)N[C@@H](C)c2ccccc2)C1 1690699921 LFDBWJONLSKFCR-UNMCSNQZSA-N 439.648 4.777 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCC2(F)F)c1 1693031640 FGMVMDKNWKMYRE-XMSQKQJNSA-N 447.505 4.741 30 10 IJEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCCC(F)(F)C1 1697581849 CSDOPINZFNUOPR-VGOFRKELSA-N 447.505 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCC1(C)C 1705492071 LCFZMZLUJAUXKD-UYAOXDASSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](N2CCCCC2)C1 1705509899 LHCXKKGHMAICIL-ZEQRLZLVSA-N 449.643 4.903 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1705544787 DIOGUAORUAQRAO-OSWQYVSFSA-N 439.673 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(C)C)C1 1705696980 RRANNKGLTVNDSJ-ONTIZHBOSA-N 439.560 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(F)cc(F)c2C1 1705794726 ROCQXPFCGBLSHF-UHFFFAOYSA-N 440.542 4.583 30 10 IJEE C=CC[C@H](Cn1c(N(C)CC2COC(C)(C)OC2)nnc1C(C)(C)C)c1ccccc1 1705798160 LNBJHHGFEDPOND-OAQYLSRUSA-N 426.605 4.771 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1705809056 GTWRAVHWOGYPHG-FQEVSTJZSA-N 429.996 4.541 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1705817923 WOBZPGLPJILLHX-UHFFFAOYSA-N 435.403 4.930 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1CC1 1705850546 XVLJAKNOVPLAGS-MRXNPFEDSA-N 429.565 4.647 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1722284668 ZCLQOZQMRVWESM-DYESRHJHSA-N 444.645 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1oc(CC)nc1C 1722298271 ATXKXMIAEFBYTF-SFHVURJKSA-N 435.572 4.654 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCN(C(C)C)C1 1722403911 JDZUMRJQCJUBFB-KRWDZBQOSA-N 434.415 4.832 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(C)(C)C 1722411997 SVHVQBBYLRZLHX-UHFFFAOYSA-N 431.625 4.678 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CCC2)C1 1722465194 FYGNNZQWPNPAPE-UHFFFAOYSA-N 438.641 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722467526 TWIOOUWTQLEOHY-NVNZTLJMSA-N 440.563 4.610 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(OC)cc(OC)c1 1722510229 SFXLPUHFIORXHY-XXBNENTESA-N 442.604 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1722512494 DQUNWZBMFFJYIG-DEOSSOPVSA-N 432.616 4.832 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1722542403 AGWBJGLTHBNMRY-AWEZNQCLSA-N 436.318 4.995 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCCO2)CC1 1722561590 UGGOGKMIPPNDPM-GOSISDBHSA-N 431.378 4.742 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)c1ccco1 1722601024 UHFFYFHYHSZCER-GOSISDBHSA-N 446.555 4.822 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccs1 1722604337 YHFMRZKUGXKOMW-UHFFFAOYSA-N 437.617 4.506 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1722653752 CZXXMWXJXZRKGH-OAQYLSRUSA-N 448.615 4.527 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1ccccc1 1722661202 WQOLLALTXFNZNN-LJQANCHMSA-N 435.597 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccnc(SCC)c1 1722663250 SWLYIFSUUYWUDM-LJQANCHMSA-N 441.626 4.939 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CCc1scnc1C 1722673428 RJPWBYFTKFAGJH-UHFFFAOYSA-N 430.581 4.583 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC[C@H](C)C1 1722673531 VKOBQQXCUCHFJJ-XZOQPEGZSA-N 444.627 4.696 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1723738797 FZQHUZAPCRRJDW-NNMXDRDESA-N 447.505 4.563 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1727050877 HIVBPKQJMCOMRM-HNNXBMFYSA-N 428.462 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@H](OCC)C1CCCC1 1740545202 OPMKXLWTKDOFDS-CYFREDJKSA-N 433.600 4.880 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1740721750 SEPMINUPULFQQO-JTHBVZDNSA-N 438.641 4.999 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC(F)(F)F 1740753073 FHRNRAFLYBUFPZ-NVXWUHKLSA-N 428.886 4.968 30 10 IJEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1740780273 AMJBUFVRYKCUST-UHFFFAOYSA-N 446.555 4.826 30 10 IJEE C=C(Cl)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(C(C)C)CC1 1740804721 GGVBQSVZZSBQTD-UHFFFAOYSA-N 434.053 4.949 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CCC(F)(F)F 1740807609 HJJHQVLOHJFHOR-UHFFFAOYSA-N 432.874 4.882 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[C@H]2C)CC1 1740819440 QSQILICTPAAGDP-QZTJIDSGSA-N 426.561 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740847147 YIISBIABUUYTGE-INIZCTEOSA-N 439.501 4.759 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1[C@@H]1C[C@H]1C(C)C)C1CC1 1740913841 VCOPDVKOFSOJMB-RBUKOAKNSA-N 431.378 4.991 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1741001415 UFSPSBSASNPZFF-SIKLNZKXSA-N 425.646 4.564 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1748697867 AHGXZWNITLKLND-JTHBVZDNSA-N 446.599 4.913 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1748739190 ZEGWZMVULGHHLS-UHFFFAOYSA-N 431.874 4.645 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@@H](C)C1CCC1 1749189753 QYDOADACQQMWRZ-ICSRJNTNSA-N 431.625 4.984 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](OC)C(C)(C)C1 1749216970 XBKCCUQENOPYDS-LAUBAEHRSA-N 444.645 4.585 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCc2sc(C)nc2C)CC1 1749343637 NYYQCHBXTGDQCQ-UHFFFAOYSA-N 437.613 4.596 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCC1CCOCC1)c1ccccc1 1749382061 JFVMDCRHVKBAAA-HSZRJFAPSA-N 433.600 4.896 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1749403881 NTRHPUHPJXYBDZ-JOCHJYFZSA-N 433.581 4.736 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1749442116 NDRGCODAGFHNSB-QHCPKHFHSA-N 442.579 4.529 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCCC1(C)C 1749532012 PGVLPRHUEPQZLD-SANMLTNESA-N 435.616 4.872 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1C1CCC1 1749746431 YSTYUAKTUJHJID-OAQYLSRUSA-N 428.602 4.650 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1760324115 IIISGWXHJMDXBS-DENIHFKCSA-N 439.991 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760336860 KNNRXWOEWXZOET-AJSBUHFISA-N 440.588 4.644 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCc2ccccn2)cc1 1760337144 DNHJEFCXKZJAEM-XMMPIXPASA-N 447.583 4.944 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(C)(C)O 1760340641 IGJBJYJAQRWDIJ-UHFFFAOYSA-N 427.376 4.727 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ccccc2C)CC1 1760405714 DAOVTUAHVHCDIP-FYYLOGMGSA-N 438.616 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1760410469 GFAIVOSARXNUGG-IBGZPJMESA-N 434.563 4.797 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1760445809 WLHQTXIXSXWLND-IBGZPJMESA-N 438.494 4.591 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ccncc1 1761362945 ARSWVOIMTPQEKR-INIZCTEOSA-N 426.977 4.600 30 10 IJEE C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1763206903 AQPXZMORBJAJRX-ZMPRRUGASA-N 431.943 4.540 30 10 IJEE CCc1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccc(C#N)c2)CCO3)cc1 1858453275 OXKBDGLNIUQZJH-UHFFFAOYSA-N 439.515 4.731 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)OC2CCC(C(C)(C)C)CC2)cc1 1860737101 RDXRIMIRXAYNRO-LICLKQGHSA-N 443.584 4.664 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861213501 RMBDDSCCJLBSPA-GJZUVCINSA-N 447.639 4.799 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccccc2)cc1 1862413124 WFHNYJMBJZMGKZ-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOC(C)C)c1 1862434317 WHRIERHLLCJBRU-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862444549 AOUVDLBYFHSZEM-QFIPXVFZSA-N 449.890 4.572 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(N(C)C)cc1 1862526635 IUSSLXJHQAQSHK-LJQANCHMSA-N 443.341 4.503 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862537863 AFVBLZJHCRQEHP-HXUWFJFHSA-N 447.362 4.696 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)c(O)c1 1862549500 QBZBJDJKKNBPPT-NPMXOYFQSA-N 435.520 4.656 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1Cl 1862561901 ZJRZAIKDYBEODO-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(O)cc1)c1cccc(O)c1 1862590250 FDRQVEGKPTWOOK-PHDLEGTPSA-N 445.515 4.645 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCC)c(OCC)c1 1862602307 ZCPBWHDUFMIIOS-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc(Br)ccc1F 1862684429 WNJFJKNGEFGIHI-QGZVFWFLSA-N 436.252 4.714 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(O)c2)cc1 1862687513 MACAPUXJBWKRGQ-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCCO)c1 1862722734 XWWKAMKQIJSNMP-DEOSSOPVSA-N 427.500 4.623 30 10 IJEE CSc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)c1 1862934773 UUQQXANLGBMUEN-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE COc1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862960717 NMNHZMXWKDZACZ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(CCC(C)C)C1=O 1863721508 XOJKBNOCLJVWJD-UHFFFAOYSA-N 430.589 4.780 30 10 IJEE CCCN(CCCN(C)C)c1cc(Nc2cccc(C#N)c2)nc(Cc2ccccc2)n1 1868200687 BGPZAVWVMQJZBN-UHFFFAOYSA-N 428.584 4.851 30 10 IJEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1 1869928729 ZGACDITWWADDBG-NRFANRHFSA-N 441.597 4.779 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)n(C(C)(C)C)n1 1870000688 SXGXAYLXBPXVNU-SFHVURJKSA-N 425.577 4.741 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN(CC)CC 1870492945 SUXRQGGBRBIELO-UHFFFAOYSA-N 447.664 4.878 30 10 IJEE C#CCOc1cn(CCCN(CC)CC)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871006057 NEJJCJKAJLNFQD-UHFFFAOYSA-N 436.383 4.511 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871775722 GOIVIMFRUHAAPN-UTKZUKDTSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(Br)c1)S(=O)(=O)CCCC 1872007570 JABYCHCSOLYKQU-GOSISDBHSA-N 445.423 4.564 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4cccc(OCC)c4)CC3=O)sc2C)cc1 1872726025 GTHRPVPIQCRBMD-UHFFFAOYSA-N 435.549 4.633 30 10 IJEE CC(C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 1872765990 AKTULKHVAXMLQI-GOSISDBHSA-N 449.919 4.958 30 10 IJEE C=CCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873122056 KFXYWTPEPOKRJE-UHFFFAOYSA-N 435.738 4.745 30 10 IJEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(O)c(O)c1 1874202442 BNUSKKZWQZSNQU-ZMOGYAJESA-N 440.569 4.868 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(O)c(OC)c2)cc1 1874257956 WUZYXOUZDRWVEV-OEAKJJBVSA-N 426.542 4.518 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874271848 OQRWVJIDIPQFEM-WORIPGKHSA-N 443.617 4.566 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(OC)c(O)c1 1874323412 OFDBLDUFZJHTLL-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)cc1 1874459810 BHXXRJIYOTVOOT-LSFURLLWSA-N 425.367 4.519 30 10 IJEE CCc1nnc(SCCO)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874527965 MSJCPELCLHFTEX-PCLIKHOPSA-N 432.549 4.539 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)cc1OC 1874581538 SAFJNHLWMDTZPD-MDZDMXLPSA-N 445.943 4.809 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2cc(OC)ccc2OC)CSc2nnc(CC)n21 1874838358 VVKQAEIOTAMPDP-LJQANCHMSA-N 446.617 4.920 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(F)c2)CSc2nnc(COC)n21 1874868497 ANGIDIBANRVYRI-GOSISDBHSA-N 438.544 4.765 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)cc1Cl 1892136936 IXRQGKUBARMXBH-NHCUHLMSSA-N 427.957 4.552 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1C#N 1901534297 HXONNEPLPPGDRU-HSZRJFAPSA-N 443.478 4.953 30 10 IJEE N#Cc1ccc(C2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)o1 1952244293 MEGFIIXEOIKYCT-UHFFFAOYSA-N 442.471 4.519 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(I)ccc1F 1980669449 WKVRNNDACYGPFU-LJQANCHMSA-N 425.285 4.854 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1ccc(C#N)c(Br)c1F 2174771307 KDNNZSNQTFRJPS-CZUORRHYSA-N 440.357 4.932 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(Br)c(C#N)c1 2180926124 SACICCRHFDBRCA-UHFFFAOYSA-N 438.366 4.980 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](C(=O)C#Cc1ccccc1Br)C2 2235724702 MUFHMPFYXRHNGM-SZMVWBNQSA-N 432.358 4.653 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@H](N)C#Cc3ccccc3Br)CCC[C@H]21 2235726538 OWLPIZOVIAPIAP-HNBVOPMISA-N 433.390 4.554 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(N)C#Cc1ccccc1Br 2235733942 PQUMMFFYDFMVDU-XMSQKQJNSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCCC12CCC(O)(C#Cc1ccccc1Br)CC2 2235743874 MXZGUOXZWIDIRV-UHFFFAOYSA-N 434.374 4.875 30 10 IJEE CCC1(C#N)CCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243911377 RCGCOOVJUZCRDT-UHFFFAOYSA-N 445.563 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2)C1 2246963690 KLYWFBGIRKJOHB-ZUIJCZDSSA-N 447.498 4.715 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2cccc(Br)c2)cs1 2278729595 FFLXRAPRWWSYSD-MLGOLLRUSA-N 437.359 4.576 30 10 IJEE C#CCN1C(=O)SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 2294143708 AOOPJFIMLDLBOO-UHFFFAOYSA-N 427.909 4.987 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](O)(C#Cc3ccc(Br)cc3)C[C@H]21 2296282362 VYGPQRGFGFHGGK-JUXOCIIHSA-N 434.374 4.731 30 10 IJEE CC#CCN(C[C@H](NC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 2316112073 KJCZJEFVDHUGPL-AWEZNQCLSA-N 433.749 4.763 30 10 IJEE CC(C)(C)OC(=O)NC1(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2317349767 IPLCECZFEDOQNC-UHFFFAOYSA-N 429.370 4.586 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2cccc(C)c2)cc1 2321246445 FSMORAUTEMQQNY-UHFFFAOYSA-N 437.569 4.769 30 10 IJEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 2321968803 XZQIDPUAPSJZTC-UHFFFAOYSA-N 436.414 4.651 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4c(OC)cccc4OC)c3C)C2=O)c1 2322749026 XPKLNGVYMIUMSY-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 2323153481 WNBZYJVLAOEGEW-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)C=Cc1ccc(OCC)cc1 2323831735 YYIGUKMPXZZHFY-JOCHJYFZSA-N 434.646 4.813 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 2325610230 COPDQPZXKKHLNZ-UHFFFAOYSA-N 439.284 4.795 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2325740059 GNVRKKZJQPCPIP-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1OC 2325952211 VJLDPOXGWWTQHT-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(O)c1Cl 2326272499 AOLABIXZXRPATK-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1cccc(OC)c1 2326474182 QGGHXJYBTQRCDN-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccn1 2326625564 SLDWZTQSIAMXBY-UHFFFAOYSA-N 430.375 4.953 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(Br)cc1 2326672803 VYLWSICXNDFBFF-UHFFFAOYSA-N 426.343 4.649 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)n2N=Cc2ccco2)cc1C 2329386063 CKPSHGZZRASETA-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(O)cc2O)cc1 2330317205 DCQZPIPEBQLUGW-UHFFFAOYSA-N 436.562 4.825 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccc(C)c1 2330596343 QWAXEUYNGIDXDR-UHFFFAOYSA-N 441.626 4.938 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)cc1 2330934993 BJDKMXVXEPGANO-HXUWFJFHSA-N 426.517 4.842 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1N=Cc1ccc(OCCCC)c(OCC)c1 2331281485 GAWCSUHXGNZMQP-UHFFFAOYSA-N 432.590 4.595 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cccc(OCC)c1 2331638838 WHYCTZZLXXEPOD-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CN[C@@H](C#Cc1cnn(C)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2340449772 RCCHZEGDUWMOTC-SANMLTNESA-N 437.543 4.890 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(COC)c1 2362288347 LYODJWNCGDLCON-RTBURBONSA-N 439.394 4.553 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CC[C@@H](C)CC1 2362592408 WBLZHZRAWOJJNZ-UWELNFAVSA-N 436.350 4.733 30 10 IJEE CCN[C@@H](C#Cc1nc(CC)cs1)c1cc(Br)sc1Br 2363979479 VFCDISJNTHLJEW-NSHDSACASA-N 434.222 4.994 30 10 IJEE NC1=C(Sc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)C(=O)c2ccccc2C1=O 13365475 WYIQEDSWTCUJDE-UHFFFAOYSA-N 433.464 4.811 30 10 IJEE COc1cc(/C=C/C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)ccc1OCC#N 14585650 LMMUMCQUDPKIAY-XVNBXDOJSA-N 427.432 4.651 30 10 IJEE CC1(C)CC(=O)C2=C(C1)N=C1N=C(SCc3ccccc3)NN1[C@H]2c1ccc(O)cc1 17098060 HLPBBLFAKAANFP-NRFANRHFSA-N 432.549 4.556 30 10 IJEE CCCCN1C(=O)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(C(C)=O)=C1C 20582807 XWRHDBJJLFPBEJ-QFIPXVFZSA-N 438.490 4.520 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC)cc1 33761944 KQMVSYLQZCMVTB-QHCPKHFHSA-N 449.503 4.836 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c1 34955319 MPUJDYZUTHIVAP-KPKJPENVSA-N 448.471 4.836 30 10 IJEE CSc1nnc(N)n1[C@H](C)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 40172233 NSMBRMFWOFVMTQ-CQSZACIVSA-N 444.520 4.581 30 10 IJEE CCN(CC)C(=O)CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2s1 59517731 OBHQYKFHUQAABF-SRZZPIQSSA-N 444.538 4.621 30 10 IJEE COc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCCC2)cc1 89439217 LQPXMKBUFDHPPQ-UAPGPWSHSA-N 441.528 4.737 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](COc2nc3ccccc3n2Cc2ccccc2C#N)C1 95084107 CTQTUMARTQMGOC-SFHVURJKSA-N 432.524 4.592 30 10 IJEE COc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 103133481 BBDCNLANCCXUKT-DEDYPNTBSA-N 440.546 4.551 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2ccc(Cl)cc2Cl)cc1 103226894 AJFFRGMDCJEIRI-LAFOYAEKSA-N 448.302 4.588 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C(C)C)C(C)C)c1 111003015 FWDJJCXMPSGYOY-UHFFFAOYSA-N 434.989 4.980 30 10 IJEE COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)ccc1OCc1ccccc1 169938241 BTJXFBUXNAUBDD-DEOSSOPVSA-N 444.556 4.950 30 10 IJEE CCc1nc(N/N=C\c2cccc(OC)c2OCc2ccccc2)sc1C(=O)OC 169943461 GRBKEBVJAYJPLQ-QRVIBDJDSA-N 425.510 4.526 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccs2)c(C)c1 169983252 XHYNNYBEDAPULT-NRFANRHFSA-N 449.484 4.577 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)c(C)c1 170047771 ZFICQQHPJDXCKG-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 170082640 ZCNMOSMPNAJLDV-FQEVSTJZSA-N 425.362 4.592 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@@H]2c2ccco2)c1 170092233 SPQVXNHNHSXFEN-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccco2)cc1 170094569 LIKMUZUSEZHJDQ-QFIPXVFZSA-N 430.460 4.583 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)cc1C 170131472 REQISFAMXVLUEO-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccnc2)cc1 170189251 KVKQDYDVYZXGEK-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)ccc1Cl 170200614 PXHFKCGEPQTSOT-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(OCC)c1 170218389 RAZMYEKTRUTHST-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccc(F)cc1 170243446 ZERRKDIMLVXEPI-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)cc1 170274795 GRUMVZWFEPMIES-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c(OC)cccc3OC)[C@H]2c2ccc(C)o2)cc1 170300805 GHMYLVKRIJYVAD-HSZRJFAPSA-N 447.487 4.951 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccc(C)o1 170309288 DNYMUSJTGIXOMB-NRFANRHFSA-N 427.497 4.764 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCOC(C)C 170313209 WTCNDQJKSBWSBQ-NRFANRHFSA-N 439.577 4.939 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2F)cc1Cl 170381264 XLLIMQONBFCVPT-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(C(C)(C)C)cc1 170414967 HBKBMRGFEUCQKN-JOCHJYFZSA-N 436.552 4.773 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)cc1OC 170416139 SLADRIRELAAYGD-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170452105 MTNPSMOIEKSSFL-QHCPKHFHSA-N 435.568 4.724 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 409894957 HUEKHFKRINZBDS-BSLALVQMSA-N 436.508 4.635 30 10 IJEE C=C(C)C(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 504329047 DVEHRVPFAWVDCV-OXTPFUQXSA-N 430.585 4.752 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508918403 FLJSHJUWOXKQSM-SJORKVTESA-N 427.549 4.892 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(OCCN(C)C)cc1 510536873 GIKKGLJGJZPURX-UHFFFAOYSA-N 444.535 4.921 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(Sc3ccccc3)C2=O)cc1 526660917 PMIHPOUOVTXGJX-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 555264333 PWKNAPRMWALQEP-PCCBWWKXSA-N 440.588 4.646 30 10 IJEE Cc1cc(C)c(-c2csc(NC(=O)Cc3noc(Cc4cccc(C#N)c4)n3)n2)cc1C 565343490 BGYYPPJMNQUVNX-UHFFFAOYSA-N 443.532 4.762 30 10 IJEE C=C(C)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586232837 NKPZHTOSGVJPPV-UHFFFAOYSA-N 438.505 4.945 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698399171 OEYXKZINTFSUSZ-OAHLLOKOSA-N 425.323 4.821 30 10 IJEE Cn1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c1Br 712435720 OTRAEKXYLKRUIL-AWEZNQCLSA-N 425.714 4.842 30 10 IJEE C#CCN(Cc1nnc(-c2ccc(C)cc2)o1)[C@H]1CCOc2ccc(Br)cc21 733195427 NFUZMGAXZLYVLL-IBGZPJMESA-N 438.325 4.767 30 10 IJEE C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 755010245 IMBJWLFGPXFWRA-QJPKHSJYSA-N 439.493 4.574 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2C(=O)OC(C)(C)C)ccc1OC 775361217 JASZXOZBHTZGKM-QGZVFWFLSA-N 439.512 4.653 30 10 IJEE C#CCN(C(=O)c1oc(CC(C)C)nc1C)[C@@H]1CCOc2ccc(Br)cc21 789647931 UOPWIIWXILEUBC-QGZVFWFLSA-N 431.330 4.543 30 10 IJEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 792748512 QBPVKNSISKENCA-SIKLNZKXSA-N 444.560 4.547 30 10 IJEE C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 799211318 KQESAJYWFLUGIN-SFHVURJKSA-N 445.466 4.607 30 10 IJEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1 1084178015 HFOOHVHTQVPSBY-UHFFFAOYSA-N 444.483 4.658 30 10 IJEE Nn1c(NN=C(c2ccccc2)c2cccs2)nnc1SCc1ccccc1Cl 1084281838 ZAUOCDWPAFLKEM-UHFFFAOYSA-N 440.985 4.864 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 1125275328 GRWWSTHIAZYCAB-ZDUSSCGKSA-N 434.355 4.989 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)c2nccn2C)s1 1130675756 DETFDTPGTJMGHX-KRWDZBQOSA-N 447.029 4.672 30 10 IJEE C=CCN(C(=O)c1cc(C)n(Cc2ccccc2)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1138239183 TUFXHOSMVQXKAQ-SANMLTNESA-N 444.575 4.956 30 10 IJEE C[C@H]1CN(Cc2cccc(CNC(=O)c3ccccc3Oc3ccccc3C#N)c2)CCO1 1142115466 COZNWKGMLBOSCK-FQEVSTJZSA-N 441.531 4.501 30 10 IJEE N#Cc1c(F)cc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1F 1144505142 GEXDGSXMZDUHLB-UHFFFAOYSA-N 428.442 4.678 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 1154367404 WLVSDUGLQLGTDV-OAQYLSRUSA-N 426.944 4.729 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCCN2C2CCCCC2)s1 1155997445 BJLNXNBTVGEMEK-KRWDZBQOSA-N 428.067 4.752 30 10 IJEE C=CCn1c(SCc2c(Br)cccc2[N+](=O)[O-])nc2sccc2c1=O 1164611059 JYWCVAGYDQZSLM-UHFFFAOYSA-N 438.328 4.607 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 1169898890 FGLYFUAOXIXMGR-VWLOTQADSA-N 444.966 4.975 30 10 IJEE C[C@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1cccc(C#N)c1 1190695053 BWCGESUSKSSPQQ-HNNXBMFYSA-N 440.569 4.620 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1cccn(Cc2cccc(OC)n2)c1=O)c1ccccc1 1210597665 SVNMQOAPZCZPQE-NRFANRHFSA-N 432.524 4.519 30 10 IJEE CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2cccc(Cl)c2O1 1211491010 ASKUJVPXRLXQFR-CYBMUJFWSA-N 430.835 4.597 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Br)cc1 1214330306 LYBGYHJSAYMFOW-QGZVFWFLSA-N 427.298 4.987 30 10 IJEE C#C[C@@H](NC(=O)N(C[C@H](O)COc1ccccc1SC)C(C)C)c1ccc(Cl)cc1 1252448587 JBYFFRTTXMKWCS-VQTJNVASSA-N 447.000 4.596 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1OC 1271110114 ZRLUBKRCUCDCOI-YFHOEESVSA-N 425.485 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(SC)CCC1 1286282079 MZNNAGRTLDWUGV-GFCCVEGCSA-N 425.421 4.513 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CCC 1286628179 CLBTZLTWTBTGDQ-INIZCTEOSA-N 426.005 4.770 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1286647873 NOPRCDLDZUZEIA-VQTJNVASSA-N 428.024 4.799 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCCOC)CC1 1286648966 IBVZFCFYWQUQFL-UHFFFAOYSA-N 425.360 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286667608 LPPSQOAMJRJZOD-GOSISDBHSA-N 443.592 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC=C(COC)CC1 1286675787 STEHMVLANRTBOX-UHFFFAOYSA-N 430.980 4.896 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286690494 KMDQDHIHMCLWQS-UHFFFAOYSA-N 438.576 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1286750020 LUQFFPFLYSYXOP-GBXCKJPGSA-N 437.613 4.866 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCOCC1 1300340398 ZBKIFMUHUCOGRP-LJQANCHMSA-N 430.980 4.719 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C(F)(F)C12CCC2 1300603061 WXRSVEXHCLQRNX-QUCCMNQESA-N 428.527 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1nnc(C(C)(C)C)s1 1300790397 PHEXUPXRJWLCKA-JOCHJYFZSA-N 441.004 4.788 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1Cc1ccc(C(F)(F)F)cc1C 1300799722 FESBPTVDDIRRAB-JOCHJYFZSA-N 427.474 4.651 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300969961 FSHUZPQFMPPELJ-BRKWEVRTSA-N 442.579 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301140921 GSVYIJYWQKXCSQ-UYAOXDASSA-N 442.604 4.958 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CC[C@]2(CCOC2)O1 1301168035 KLOAQUXSAFONCS-YADARESESA-N 428.552 4.605 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2c[nH]c3c(Cl)cccc23)CCCN1C(=O)OC(C)(C)C 1301946975 JEWJODQEAOXZPT-QHCPKHFHSA-N 431.964 4.826 30 10 IJEE C[C@@]1(Cn2c(CSc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)CCCO1 1303992105 IAQOCNWJVLFGCS-QFIPXVFZSA-N 446.020 4.923 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nc3ccncc3[nH]2)cc1 1305026782 LGGODNPUOHRLQF-LJQANCHMSA-N 435.528 4.813 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H]3Cc3ccc(F)cc3)c2C#N)C1 1307425463 GRBOOSMZCLHICM-LPHOPBHVSA-N 425.573 4.919 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1=O 1310889060 QAENJRMXKDYCRX-IBGZPJMESA-N 440.956 4.613 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OCCOC)c(Br)c1 1311285820 SIEZTJDHBSBTGE-UHFFFAOYSA-N 437.309 4.834 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1312840440 IKOWNAMNQJBITL-YSIASYRMSA-N 431.552 4.559 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@H](C)[C@H]2C)CCCC1 1315976798 IFNBRTHXLRIZHN-RTBURBONSA-N 439.629 4.744 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnn2[C@@H](C)C2CC2)nnc1-c1ccc(Cl)cc1 1318690929 PKKSGTBEYZQZNT-AWEZNQCLSA-N 442.976 4.683 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1351512049 OCPZPLLMNQRTNQ-UXHICEINSA-N 438.574 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1 1358899990 YTAAJVKAGXBOPF-BTYIYWSLSA-N 447.029 4.651 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1358907035 ASFPHXLANZXVFH-RDPSFJRHSA-N 448.567 4.782 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)CCc1ccc(Br)cc1 1358923276 IRCSDQVTYQNHQP-UHFFFAOYSA-N 427.346 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1358996594 KJHGPJNJEMQPPL-BDYUSTAISA-N 444.623 4.950 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCCC1CCOCC1 1359016862 NUTMTENPIWRGCO-QHCPKHFHSA-N 440.563 4.505 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359053791 YJKOFUIOUQFGGS-YLJYHZDGSA-N 435.424 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCc2nccn2C1 1359116552 PUOXSVONNSDOQZ-FQEVSTJZSA-N 436.629 4.740 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCC[C@H]2OC)CC1 1359161238 VMPBKSKTRRLEBK-HNAYVOBHSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359175694 WKHBLJLWQZTFCS-QFIPXVFZSA-N 449.643 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)C 1359185323 SFKGMJITOVPDIB-UHFFFAOYSA-N 425.621 4.806 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)CC1 1359204648 WTBYNCQJDCXSSR-UHFFFAOYSA-N 425.596 4.819 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CC)CCC2)C1 1359315857 CXFXRGKWDNUIMN-SFHVURJKSA-N 430.980 4.969 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC(C)(OC)C1 1359339217 XKSYRXXBXOFLBX-UHFFFAOYSA-N 444.601 4.957 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1Oc1cnn(C)c1 1360643995 JLUSKHPSPYYZTR-UHFFFAOYSA-N 444.304 4.942 30 10 IJEE Cc1nnc(COc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2)o1 1443535899 GSUNKICVNUEECM-UHFFFAOYSA-N 440.459 4.660 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)c1 1455951546 XGKYGQYEFPLCEA-QHCPKHFHSA-N 436.552 4.519 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OCC)c3cccnc23)CCCN1C(=O)OC(C)(C)C 1458762388 VXCZSGOCNWDZRT-XMMPIXPASA-N 425.529 4.918 30 10 IJEE C=CCCSCCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 1461409047 OMKRSBNFJSVGIM-SIKLNZKXSA-N 428.623 4.966 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)C(=O)OCC 1462504125 XNCAFPWHOSRKMT-GFCCVEGCSA-N 430.751 4.945 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCC3(c4ccc(F)cc4)CCOCC3)cc2)nc1 1465431258 BJZDVARHKFUOTN-UHFFFAOYSA-N 446.482 4.755 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 1466816736 MTCIDOCBAZHPCF-UHFFFAOYSA-N 432.318 4.511 30 10 IJEE COc1ccc(OC(F)F)c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)c1 1476056418 BOTBZYLCJDAKDN-UHFFFAOYSA-N 440.406 4.677 30 10 IJEE C#CCN(C(=O)Nc1nc(CC)c(C)s1)[C@H]1CCOc2ccc(Br)cc21 1476477800 IRCFAMWZPQFUOF-INIZCTEOSA-N 434.359 4.767 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1C#N 1476646293 HJAXCMSNKCAZMN-UHFFFAOYSA-N 444.564 4.691 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1 1477521273 VPXJRNYZMUUSGY-FQEVSTJZSA-N 444.531 4.847 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)Cc2cccs2)C[C@H](C)O1 1499696258 GJYIIOIMJGDUMV-BBTUJRGHSA-N 435.597 4.761 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(c2nccs2)CC1 1507595276 NOPSMGYUWMUMCK-UHFFFAOYSA-N 435.597 4.728 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCCCCC2)C1 1507597091 UCINMJSHUJOMRJ-NHCUHLMSSA-N 428.621 4.540 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCCN1C1CCCCC1 1507643500 WEESJWIKJLVJOQ-FTJBHMTQSA-N 443.639 4.690 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](SC)C1 1507793606 FAHFXQBNWNOYTI-GGPKGHCWSA-N 448.036 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1507802420 ALLBSYOAHSCTAE-UGKGYDQZSA-N 426.561 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)OC1CCCC1 1507811034 NAHUVPQBDBVZLH-YKSBVNFPSA-N 440.588 4.711 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cccs2)CC1 1507934162 YLWMBVYLZBMDNN-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ncccc1N(C)C 1507972070 XZZAZNMOVAHLSU-UHFFFAOYSA-N 438.988 4.945 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CC(F)(F)CO1)C1CC1 1507995251 GPUCDIJKFOQULI-LJQANCHMSA-N 446.542 4.868 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1c(C)nn(C)c1C 1508152082 SFOUSNNIKWZYFK-UHFFFAOYSA-N 448.999 4.644 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c(OC)c1 1521159085 ZNKLCWPTJOQJEM-QVKFZJNVSA-N 434.319 4.856 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1521590566 QDDLTCIFXGGXAA-UWJYYQICSA-N 437.462 4.732 30 10 IJEE C#Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)nc1 1524185796 LAYAQEXMTJJIBU-UHFFFAOYSA-N 426.354 4.986 30 10 IJEE C=CCN(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1525330800 LHKUDCTYXRUHMJ-XYJFISCASA-N 432.611 4.805 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 1525497881 YOCJYIOMBNUGHZ-UHFFFAOYSA-N 435.527 4.931 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)OCc1c(Br)cc(F)c(F)c1F 1529021967 BOEJTXSNPOWQNK-UHFFFAOYSA-N 431.204 4.797 30 10 IJEE C#CCSc1ccc(COC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1529135811 PTVKBFUSIXBLFU-UHFFFAOYSA-N 438.427 4.884 30 10 IJEE C=CC(C)(C)CC(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1529544942 NXEIJCSCMFKUDT-UVTDQMKNSA-N 427.353 4.748 30 10 IJEE C#CCN(C(=O)[C@@H](CC)Oc1ccccc1F)[C@@H]1CCOc2ccc(Br)cc21 1529627609 RONPXXCZWDQSCD-RTBURBONSA-N 446.316 4.731 30 10 IJEE O=C(Cc1ccn(-c2ccc(F)cc2)n1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1536961925 CVBNZBKEEXUDSW-GOSISDBHSA-N 445.338 4.993 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)cc2)cc1 1538861595 JPTDATQJHFJCMM-VWLOTQADSA-N 426.472 4.767 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(F)ccc1OC 1538984773 PPTPGPUXVYZQPL-MRXNPFEDSA-N 438.572 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCC(F)(F)F 1538991596 BAFIMRZTSJJFDC-NSHDSACASA-N 433.247 4.647 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCc1nc(C)cs1 1539237365 CIDILAMGVYKHDA-UHFFFAOYSA-N 443.620 4.609 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2CC[C@@H]21 1539579439 MCVKSBYZMOBRQD-INMHGKMJSA-N 435.341 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCn1cc(Cl)cn1 1539649935 GNNAXLBEXUSLRS-MRXNPFEDSA-N 432.931 4.510 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2nc(C)no2)CC1 1539829549 ZYOYYUZUVXGWTC-LJQANCHMSA-N 436.560 4.516 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1539884534 LZVZQHMMDLFMCC-WMZHIEFXSA-N 434.588 4.594 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539973799 DCWZQCBZKOGPKC-VWLOTQADSA-N 442.604 4.863 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CC)C1 1540028208 LLHYDTKPFHJBFH-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC(F)(F)Br 1540127360 RINKZGJGWIUJHX-UHFFFAOYSA-N 434.288 4.520 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCN1CC 1540133916 PJPJTLVYKBATSZ-QHCPKHFHSA-N 435.641 4.997 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](CC(C)C)C2)cc1 1540878927 MUYWZQSYSHGUHI-QHCPKHFHSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCC(=O)Nc2cccc(Cl)c2C)C1 1540883204 VYRHOSQASNAAJM-AEFFLSMTSA-N 445.995 4.564 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H](C)c1ccccc1 1545458500 IBYASIMYKMBIJC-ROUUACIJSA-N 430.556 4.520 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc2c(n1)CCCC2 1545719253 CQSRQGQZOQIKMT-XXBNENTESA-N 428.584 4.738 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 1546205218 IFTLQKRPHIETTE-FQEVSTJZSA-N 449.913 4.938 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1 1562257099 GIANPGXZGGOXPC-UHFFFAOYSA-N 436.581 4.834 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 1562811949 FIVSZWGZTYZKMB-UHFFFAOYSA-N 438.459 4.748 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 1564913779 UFDHEKFBGTVZCU-PKTZIBPZSA-N 427.589 4.797 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCO[C@@H](C)C1 1566426771 WSZWDVBWWBXTDO-MHPIHPPYSA-N 448.563 4.544 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 1567187106 AYFWPWUNDBCHEM-OAQYLSRUSA-N 446.507 4.667 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 1585641035 GFGYTVHDUUCPEK-IBGZPJMESA-N 447.560 4.607 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1 1586616339 HQIMPZOGROVQSZ-FQEVSTJZSA-N 434.989 4.712 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2[C@H]3CC[C@H]2c2cnc(C(C)(C)C)nc2C3)cc1OC 1587784589 UZCRARQICSNEIV-JACUPBBHSA-N 433.552 4.649 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1c(F)cc(F)c(F)c1F 1587932435 TVUJOEYGKBBRAG-UHFFFAOYSA-N 448.489 4.950 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)Cc1cccs1 1588083193 BQYPDLGADJOCFJ-RBUKOAKNSA-N 436.556 4.570 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)C1CCCCC1 1588266122 LUCGQJLUPJQYBU-HFZDXXHNSA-N 438.616 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1589514222 DYZJFQGQZWODCN-JLHGSKIFSA-N 441.526 4.740 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1589544436 HFZQSGDJKHLJAJ-UKILVPOCSA-N 431.584 4.623 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)OC1CCCC1 1589570554 VKXOMJQCBQTBJI-YKSBVNFPSA-N 440.588 4.766 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCCC(C)(C)C1 1593704790 ZIZDVPQQVRIURY-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@H]1C 1594788473 NBJBGHKSMPFKFW-LSDHHAIUSA-N 437.357 4.674 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCNC(=O)OC(C)(C)C 1594858522 ZYQYWLFEQLPKSQ-INIZCTEOSA-N 449.983 4.609 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC=CCC1 1595119581 ADMGHSRMKGACDO-IBGZPJMESA-N 446.530 4.613 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1595190287 AEPDMLOYLQTFBS-SFTDATJTSA-N 437.632 4.889 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CCCN1C[C@@H](C)C[C@H](C)C1 1596806390 GLWKDYMWJZQYSE-GBESFXJTSA-N 429.012 4.562 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1CC1(N(C)C)CCC1 1606951352 CUXQEKVQUBTUEW-UHFFFAOYSA-N 429.012 4.849 30 10 IJEE CCO[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1616108905 GGUADZQYQDXGIA-ZRCGQRJVSA-N 439.604 4.662 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 1618501816 YYLBIKFIAINWBR-OAHLLOKOSA-N 436.459 4.862 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](c1ccc(OC(C)C)cc1)N(C)C 1620956574 CPCWHKCXSYIOOO-JOCHJYFZSA-N 445.401 4.641 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(OC)[C@@H](C)CC)ccc1Cl 1622601459 WMYMIBYQODDNSR-INIZCTEOSA-N 436.961 4.523 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC(F)(F)c1ccc(Br)cc1 1623171955 SOJLXHFFQDVUCM-UHFFFAOYSA-N 427.220 4.514 30 10 IJEE C=CC[C@]1(C(=O)Nc2nn(CC(F)F)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1627999080 PLKWCSRIXPQJOU-JOCHJYFZSA-N 434.487 4.586 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CSC3CCCC3)c2)cc1 1629510855 UWLZTJPKCWQBCR-UHFFFAOYSA-N 430.595 4.579 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1OC 1633005537 YTXWLEYKMWTBLM-KRWDZBQOSA-N 431.357 4.895 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1F)c1ccc(C(F)(F)F)cc1 1633471872 WAPGHRHDOPAERL-VQTJNVASSA-N 449.448 4.735 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 1636310935 AUFKBFQMLZYXBH-INIZCTEOSA-N 433.763 4.914 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 1638988248 WHSQWJGLXYYCQD-FUHWJXTLSA-N 435.593 4.758 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 1641387089 JODOSCFGESNICZ-CLOONOSVSA-N 446.588 4.609 30 10 IJEE C#C[C@H](Nc1ncnc2c1c(Br)nn2C(C)(C)C)c1ccc(Cl)cc1F 1642677509 KKLZXBYWHAHFFS-ZDUSSCGKSA-N 436.716 4.923 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCN(c3cccc(Cl)c3C)CC2)cc1 1643077418 HLWOJVLNQHHBPU-NRFANRHFSA-N 439.003 4.804 30 10 IJEE C=CCn1c(SCC2(Br)CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643338293 OSDSQEKPKQCXSU-LLVKDONJSA-N 425.417 4.788 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(OCC)cc1)C(=O)OC 1643757373 IQEKFBNIKHPQST-LJQANCHMSA-N 427.501 4.682 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)F)cc1OC 1647047030 RBPLDSYTQNRQPH-INIZCTEOSA-N 446.922 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCSC(C)C 1649538157 AJOCSHLUHRQLBO-INIZCTEOSA-N 425.627 4.977 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3S[C@H](C)[C@H]2C)n(Cc2ccco2)c1C 1652776901 HKQWRCGCDTVCMB-QZTJIDSGSA-N 434.565 4.946 30 10 IJEE Cc1ccccc1COc1c(C)cc(CN(C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1C 1657343666 CRIKVOYAYVIVTC-RUZDIDTESA-N 427.548 4.721 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1OC 1657787223 AJYQYUUIKLLKCG-VWNXMTODSA-N 433.951 4.916 30 10 IJEE C=CCC[C@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 1662379008 PPJHFFIFWDLBTA-FQEVSTJZSA-N 439.499 4.810 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2c3ccccc3CN2C)cc1OCC 1663091623 OMTFRHIMSUUCAW-HXUWFJFHSA-N 431.374 4.689 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CSc4ccc(Br)cc43)cc2n1 1664854447 QYUAXWNOSNZIKM-QGZVFWFLSA-N 429.343 4.953 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(Br)cc1 1674025549 HKULCSFOISTHEX-NRFANRHFSA-N 426.358 4.564 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)NCC(F)(F)c1ccc(Br)cc1 1676427388 DIZRASLTKJLFIV-UHFFFAOYSA-N 425.277 4.791 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C(C)C 1678215573 YDOTVYXMTVTNML-AWEZNQCLSA-N 449.315 4.683 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 1684994455 LQPBLSURAPYNBS-HNNXBMFYSA-N 437.300 4.793 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccnc(SC)c1 1689955343 DCRHZDJRBRPJET-UHFFFAOYSA-N 435.597 4.605 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@H]1CCCCO1 1690065432 XCKUJSALJZWIKN-LJQANCHMSA-N 445.405 4.825 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690066959 OWUOIDZTYVWZTI-QGZVFWFLSA-N 445.995 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1690238174 GDZMAJQABQAVCV-IHZGOTPNSA-N 428.552 4.773 30 10 IJEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1690340105 FQATVLOLGXDYQT-GOSISDBHSA-N 449.864 4.689 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN(C)C(C)C)CC1 1690415702 VGXMSJBNLHAHNX-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1690453336 ACTMKHCPDKBCNQ-WOJBJXKFSA-N 439.560 4.853 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](CN(C)CCC)C1 1690472718 UOTFGQCSHBJWGU-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1690476498 FJFXVNQELUHLMG-FQEVSTJZSA-N 439.947 4.546 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccccc2CO)CC1 1690476910 TZAFQLBVXVNZDU-UHFFFAOYSA-N 437.975 4.836 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1ccsc1 1690660571 KMJDNPFWUGSQRR-SFTDATJTSA-N 435.597 4.525 30 10 IJEE C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1)N1CCCCC1 1692675799 BXICHJIBTPPDEJ-LJQANCHMSA-N 434.613 4.779 30 10 IJEE C=C(Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1)c1ccccc1 1705743373 VHPITQMPQIKDKC-QFIPXVFZSA-N 449.599 4.872 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](CC)N2CCCC2)CC1 1705777036 VYEYSRNWABXBSN-CTNGQTDRSA-N 441.595 4.834 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cccs1)c1ccccc1 1705796807 KRLFQMVKSBVYFT-DFQSSKMNSA-N 435.597 4.848 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](COC)C1 1705801878 UTTMJCSXPGFNGK-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccccc2F)C1 1705808508 PKZFUZXQYQUYHY-NRFANRHFSA-N 441.576 4.707 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(COC)CC1 1705814161 FIRRENGKMGXERZ-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1nccs1 1705826447 WELXWNJIKPYKDK-UHFFFAOYSA-N 438.384 4.938 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@](C)(O)c1ccsc1 1705865840 YPHGJZHHDKFORW-QFIPXVFZSA-N 439.610 4.507 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2ccc(C)cc2)C1 1705921761 YTEAAOQQIAPRLN-GHTZIAJQSA-N 437.975 4.887 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F 1705947788 XGVDVRJVRWLUEW-UHFFFAOYSA-N 447.530 4.838 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 1722321808 GZPZBRVWUCWQOQ-NRFANRHFSA-N 442.629 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](SC)C(C)(C)C 1722401402 WNSWBDGWFNFGOA-JOCHJYFZSA-N 438.641 4.715 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCCC1CCCC1 1722421134 PGAKWKVXHRZAKO-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(Cl)Cn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722557203 JQURBBJYBWWTLY-NXHRZFHOSA-N 443.979 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccoc1 1722584803 JQCUFISSQPRTGE-UHFFFAOYSA-N 432.366 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722585593 BSYIOILGUSZLHY-HXUWFJFHSA-N 440.979 4.512 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ccnn2C)CC1 1722610222 MECWZCJRLZRMEO-IFMALSPDSA-N 440.636 4.671 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1722682073 XGNQFKCGKPIKGN-WFXMLNOXSA-N 430.980 4.931 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1 1722683561 OLCLVBCXRBMJBI-UHFFFAOYSA-N 439.785 4.941 30 10 IJEE CSc1cccc(F)c1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@](C)(C#N)C1 1731075238 HFEJIIBVGDQXIN-HSZRJFAPSA-N 436.560 4.688 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(OC)C1 1740566633 BADRDHMPHLDVTK-NRFANRHFSA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1740568012 YFASSXZQHGFNDO-RXVVDRJESA-N 442.007 4.680 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 1740573145 JYOYHQHQSLCJRO-UHFFFAOYSA-N 445.336 4.803 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC#N)CC1 1740711128 HRBGFWZFLNKBMG-KRWDZBQOSA-N 439.654 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC(C)(C)C 1740728310 VJFCGCUEMXBITE-JOCHJYFZSA-N 448.398 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H](c1cccs1)N(C)C 1740732700 NGCBYPXXOCRADO-SQJMNOBHSA-N 433.625 4.534 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1740743857 GYPYVAXFTCQRPT-GUYCJALGSA-N 441.320 4.904 30 10 IJEE C=C(C)COCCn1c(N2CCS[C@H](C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1740799627 QJMGXYMWFUHXKS-VQTJNVASSA-N 426.630 4.671 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740801932 HOQMLOWWWXKMME-AEFFLSMTSA-N 447.986 4.620 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN(C)C2CCCCC2)CC1 1740829045 IIJADJSPFCYXLZ-UHFFFAOYSA-N 441.595 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)COC)CC1 1740835274 JXDYJPFYRCHELE-UHFFFAOYSA-N 439.423 4.844 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(CN(CC)CC)c2)CC1 1740839233 DOWKFOFBRWQNLW-UHFFFAOYSA-N 444.627 4.556 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N 1740848932 UPUJXGYGLFSIRR-RTBURBONSA-N 444.624 4.733 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(Br)c1 1740866193 ZBOCOYZGGOOFJL-SFHVURJKSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1 1740876902 XMINHWLUJASBSN-SFHVURJKSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1Cc1cscc1C 1740914461 GCBLKBYSPIMAMZ-UHFFFAOYSA-N 428.565 4.766 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1ccccn1 1740918740 USXYNVXOTRPUKK-QFIPXVFZSA-N 431.584 4.738 30 10 IJEE CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1741409240 DJAWUVUAXZJZSN-LAUBAEHRSA-N 445.970 4.929 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1748753798 VIRHRSFXUUWEDK-RTWAWAEBSA-N 426.992 4.720 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@H]1C 1748882576 XPDJSUIUTCRPJA-IAGOWNOFSA-N 443.364 4.746 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@](C)(O)c1cc(C)oc1C 1748940831 ROMFBCXARZMKTQ-SSOJOUAXSA-N 438.547 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1C[C@@H](F)c1ccc(Br)cc1 1749072861 ZYGCNIZSZFEJAU-WIYYLYMNSA-N 431.353 4.696 30 10 IJEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1cccc(C)c1 1749085670 CQAHNYKCRRLQRL-IEBWSBKVSA-N 449.393 4.561 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C(C)C)C1 1749091927 ICVFACGXKZHSPH-KRWDZBQOSA-N 449.393 4.743 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1749098539 DDPHACVPFCGQPL-GOSISDBHSA-N 442.361 4.542 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1749109836 AEEMPVBNQRKGFM-ZIAGYGMSSA-N 439.785 4.901 30 10 IJEE C=C(Br)Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1749112501 JYGKFBIHJNNQQY-KRWDZBQOSA-N 445.405 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCCCc1ccccc1 1749130640 NIOSISSNYKEZFM-SGNDLWITSA-N 438.616 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CN(C)CCCC)CC1 1749131731 VBVLZHBZIONOQA-UPVQGACJSA-N 445.696 4.796 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)CC 1749134954 AKSQHTHFFMNMIZ-MGPUTAFESA-N 439.387 4.991 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1749137177 WUUKXOLEOHVVNV-VGOFRKELSA-N 442.947 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1749163516 MHXXYBVLTGBUSO-GHTZIAJQSA-N 431.650 4.878 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1749196494 QVWPOXFQQNRZRJ-FQEVSTJZSA-N 426.561 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749358532 BJZLRSIXNGJMDE-GOSISDBHSA-N 441.595 4.818 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(CC#N)CC1 1749434481 UNVLECBEQSNFKX-UHFFFAOYSA-N 444.377 4.716 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1749689318 HDBXSKZRPASULH-OFNKIYASSA-N 431.584 4.892 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1760273840 DSZLQGFQFJMPTA-QAPCUYQASA-N 433.419 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1760337203 NXTSPYBVVVSGRU-UHFFFAOYSA-N 439.648 4.526 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2c(CC)noc2C)CC1 1760382471 QXDQWCABZNZEND-QGZVFWFLSA-N 425.508 4.621 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCC(C)C)CC2)CC1 1760398585 DOGNIJUHGMXNJO-UHFFFAOYSA-N 446.643 4.977 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cn(CCCC)nc2C)CC1 1760403384 QDAIHHQDXUSUMN-UHFFFAOYSA-N 448.615 4.633 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2(OC)CCCCC2)CC1 1760405811 HRXFEXWLDZSFOW-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1760414876 GXHQOQKSRBPOFY-VQTJNVASSA-N 430.666 4.852 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1CCNc1ncc(Cl)cc1Cl)C1CC1 1760472419 JPEQLIXLHQWRHN-UHFFFAOYSA-N 429.355 4.914 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1OCCC1(C)C 1760491302 AXRYZLHAQOKKNW-GOSISDBHSA-N 449.368 4.840 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N(C)C2CCC3(CC2)OCCO3)cc1 1760530632 ROBUZVWQLRRAPD-IBGZPJMESA-N 440.588 4.527 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCCS2)C1 1760550381 XOHHOSPKTUHSKL-RBBKRZOGSA-N 442.629 4.541 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccsc1)N(C)C 1761358581 AEEZTLHKGPETLV-VGOFRKELSA-N 445.596 4.596 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccn2)C1 1766795025 FBXBMPVBLXJAJA-JOCHJYFZSA-N 432.597 4.566 30 10 IJEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(CCCCC2)O1 1768609661 BVEJHKOAOWMSQO-GOSISDBHSA-N 433.478 4.697 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@H](COC(=O)/C=C/c3ccc(Cl)cc3Cl)C2)c1 1860081614 NTQAYXJCHKGKFY-LKUPDRCFSA-N 443.330 4.974 30 10 IJEE CCCCCCCCCNC(=O)CCC(=O)N1CCN(c2nsc3ccccc23)CC1 1860291834 REOMXZAHKWRNNZ-UHFFFAOYSA-N 444.645 4.592 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(N(C)C)cc1 1861831798 ANCDVUGTBHQJFE-QFIPXVFZSA-N 435.678 4.861 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOC(C)C)cc1 1862433446 BXYBYAHLDQCNIK-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1O 1862480589 JZFQBCZEIWHCBW-XMMPIXPASA-N 443.499 4.796 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C(=O)O)ccc1F 1862504446 UUATYEOETUYFPE-NRFANRHFSA-N 437.467 4.743 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(OCc3ccccc3)c2)c1 1862568820 ZABUUVGRGMQQMG-DEOSSOPVSA-N 440.499 4.589 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1CCc1ccccc1 1862625214 AXVDWIAWYPDMPL-DEOSSOPVSA-N 441.483 4.545 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1 1862652262 GYZBWSUIFJTMDG-JOCHJYFZSA-N 429.472 4.613 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 1862653345 QWQZBJKLSVNLPZ-FYSMJZIKSA-N 443.499 4.988 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCN2CCCC2)c1 1862674871 WJGRNKWPJUPOMG-QHCPKHFHSA-N 436.527 4.588 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc(F)cc2F)C1=O 1863078219 DCRAPESYFZEBCH-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)c(C)c2)C1=O 1863253362 FWQVGBLOIWABKF-UHFFFAOYSA-N 431.536 4.574 30 10 IJEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)c1 1863477977 LSBIUPIFLYHWCO-UHFFFAOYSA-N 433.920 4.708 30 10 IJEE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](C)C(=O)Nc1ccccc1C#N 1866675644 MFOMTSGDCDWZHX-MRXNPFEDSA-N 444.535 4.505 30 10 IJEE CC(C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866773833 XGPGZIVHNSYIGG-QFIPXVFZSA-N 429.495 4.753 30 10 IJEE CCC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866775055 JUBZRZSEJUXIKM-XZOQPEGZSA-N 435.568 4.929 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)c1cccc(Br)c1 1869005267 XUGNSKHZJNXLDY-LJQANCHMSA-N 435.406 4.674 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)Cc2cccs2)n(-c2ccc(Cl)c(Cl)c2)n1 1870005035 UPFZMQMUZOOSCH-UHFFFAOYSA-N 448.379 4.995 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccccc3Cl)c(CN3CCCCC3)cc2=O)cc1 1870348600 DRZCUQAVQIMZKP-UHFFFAOYSA-N 447.966 4.987 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN(CCC)CCC 1870682693 CEWMHJMNSXOOQN-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc3ccccc3c2)c(=O)cc1CNc1ccccc1 1870817759 PWBOZSJXERWEBI-UHFFFAOYSA-N 439.515 4.817 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1ccccc1C(C)C 1870844324 LTXWRUOOBPPSCK-UHFFFAOYSA-N 426.557 4.882 30 10 IJEE COc1ccc(OCCN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871345254 AAWPAFLYZBFSFU-XKZIYDEJSA-N 449.528 4.912 30 10 IJEE CCOC(=O)c1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 1871345765 MAERMBKTZLCQDO-UUYOSTAYSA-N 445.471 4.733 30 10 IJEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871365617 AZLFFFIKTYXIPA-AUWJEWJLSA-N 442.638 4.795 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c(OC)c1 1871386731 KHALWEBVGWVPMX-JJFYIABZSA-N 434.419 4.987 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871851083 PAIXQMRKHCKDFL-QFIPXVFZSA-N 428.554 4.566 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 1871862059 XOHHFOJVYNWCMC-QFIPXVFZSA-N 432.561 4.898 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@H](C)C1)n2Cc1ccccc1 1873554854 AJABZVKNPLMCLI-SFTDATJTSA-N 443.595 4.776 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N(CCC)CCC)ncnc2n1Cc1ccccc1 1873556352 YBJRNAHXWUQZAS-UHFFFAOYSA-N 431.584 4.920 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(O)c(OC)c1 1874323550 VGVUUVDUBSXYQN-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874388981 FRCPTVNRSCTBTR-MFKUBSTISA-N 430.533 4.763 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1)c1ccccc1 1874430263 ACNGZMPFPHDUDA-VKELSTCCSA-N 441.560 4.797 30 10 IJEE Cc1ccccc1COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCO)cc1 1874441006 DSERANRBPMEOTQ-PCLIKHOPSA-N 438.597 4.721 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1C 1874458632 YLOBEUZRRJGSFX-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3sccc3Br)ccc21 1889488248 MZEXBJIAQGOLTK-UHFFFAOYSA-N 435.343 4.701 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cccc3ncccc23)CC1 1891001308 OWKAPIHHVHEOEZ-UHFFFAOYSA-N 429.505 4.678 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@]1(O)CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 1922047194 PMYCAGPETKKFKO-MCEYFSPLSA-N 443.584 4.649 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1930726945 QYHVZDKJWSRJDB-GXTWGEPZSA-N 434.172 4.681 30 10 IJEE C#CC[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CC1 1987989907 UZHUUINTOJYFMN-IMDCKVJKSA-N 444.575 4.858 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)c(O)c1)c1cc2ccccc2o1 2033814475 UUYKDNMXDSHWBK-OAQYLSRUSA-N 447.468 4.684 30 10 IJEE O=C(O)CCn1cc(C=CC(=O)c2ccc(F)cc2)c(-c2cccc(Br)c2)n1 2040469232 FCBNGJQQJVDSFP-UHFFFAOYSA-N 443.272 4.823 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048649948 OMPWEBQAUKZHSI-IAGOWNOFSA-N 429.786 4.587 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1 2080052594 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CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Br 2181054073 STFIWDBKZNFQAS-MRXNPFEDSA-N 438.366 4.931 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)n1 2190477376 DWSISSGVQFUPJQ-ZPFZUWPUSA-N 448.416 4.509 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](O)C#Cc1ccccc1Br 2209250432 QZMNNUKEDXXECY-IBGZPJMESA-N 430.342 4.599 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1ccc(Cl)cc1 2212453851 YJPLQLHURYZCHO-VGSWGCGISA-N 427.928 4.759 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1F 2232252923 XLMPQNVMMCVHIQ-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE C=CCC1([C@@H](NCC)c2cc(Br)nn2C(C)C)CN(C(=O)OC(C)(C)C)C1 2232481828 CYOVMBMRMFNKEQ-KRWDZBQOSA-N 441.414 4.690 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)CC1CC1 2235724021 FTEOJFHQJPQTFD-UYAOXDASSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](C(=O)C#Cc3ccccc3Br)(C2)C1 2235729504 JEWFZSIGHMXXGW-KSFYIVLOSA-N 432.358 4.797 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](CC#N)C1 2243925199 RVPXDMWDGFQFLF-KBMIEXCESA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2)C1 2254326067 YODADSWDVNRPGJ-CSZIGFGKSA-N 448.568 4.853 30 10 IJEE C[C@@H](Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)c1cscc1Br 2266059197 HKXVDDRSQFJKGW-SNVBAGLBSA-N 427.148 4.517 30 10 IJEE COc1ccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2267565101 MPFXRTPKHIZMBU-SHTZXODSSA-N 446.353 4.853 30 10 IJEE C[C@@H](Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)c1cc(Br)cs1 2269007776 OKHOAYCOVXCGCK-SNVBAGLBSA-N 427.148 4.517 30 10 IJEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 2270448448 GVERBXVANSYUAZ-SFHVURJKSA-N 437.364 4.874 30 10 IJEE C=CCCC1(C(=O)Cc2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2280951911 BFYSLBXTPWVAEE-UHFFFAOYSA-N 438.362 4.773 30 10 IJEE Cc1c(Cl)ccc2c1NC(=O)C2=C1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O 2295499343 ITSISOWLFAMUFZ-UHFFFAOYSA-N 437.830 4.881 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2296306415 GYVKSRJYOCJTBE-RBUKOAKNSA-N 433.390 4.711 30 10 IJEE COc1ccccc1C=CC=C1Oc2cc(OCC(=O)OCc3ccccc3)ccc2C1=O 2296844829 LACAKMQUQHNQLP-UHFFFAOYSA-N 442.467 4.990 30 10 IJEE COc1ccccc1C=CC=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C1=O 2314437448 MRRILOJBKPQRGJ-UHFFFAOYSA-N 443.411 4.995 30 10 IJEE COc1ccc(OC)c(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)c1 2318571848 UJPLFUBJEDURRI-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE CC[C@@H](CCCC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319680733 SRSMYVCRHIGLCB-GAJHUEQPSA-N 438.418 4.545 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cccc(Cl)c1 2320961394 BQTNJGJARQBFFB-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccccc1OCCCC 2322214428 JTIHDRQPGOOSDU-UHFFFAOYSA-N 438.553 4.772 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 2322436681 XVPAZRJWHHEUPP-HXUWFJFHSA-N 437.879 4.743 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 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C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1c(F)cccc1Cl 2328403565 VHNRTEOTSHXUHE-UHFFFAOYSA-N 432.908 4.819 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330588826 BQQWVDLBFKKZAD-JOCHJYFZSA-N 429.561 4.856 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2C)cc1 2331437991 NQQKEXIQZJTQLX-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2F)c1 2331440022 RHJQTGCPHKCQLZ-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CC[C@@H](CN(CC)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339536456 KJOQLZHHWYAABB-IQGVVSCOSA-N 445.413 4.856 30 10 IJEE CC(C)(C)OC(=O)NCCC1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339575395 WEBPEYOSQKXBMV-RVDMUPIBSA-N 444.381 4.943 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339595089 FKCJSENCDHRIJT-IZGBJUCLSA-N 444.381 4.797 30 10 IJEE C#C[C@H](NCc1ccc(I)c(Br)c1)C1CCCCC1 2349846180 WDBWCBVTGIGQMS-INIZCTEOSA-N 432.143 4.725 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(c3cc(Br)cc(F)c3C#N)C[C@H]21 2361341310 RGUPMSFCTHFJRZ-SCLBCKFNSA-N 438.341 4.686 30 10 IJEE C=CCN(CC(=C)Br)[C@](C)(C(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2374004913 WDNSPQXSTBOQDJ-FQEVSTJZSA-N 439.350 4.730 30 10 IJEE COc1cc(Br)cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1O 33291543 ZORLPRJGHNJBFI-LZYBPNLTSA-N 433.327 4.672 30 10 IJEE C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 33349263 KVVOHZCRFTYQIN-WOJGMQOQSA-N 431.872 4.736 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)N1C[C@H](C)O[C@@H](C)C1)n2Cc1c(F)cccc1F 35927866 KHHWUNSJAQBHPC-IRXDYDNUSA-N 440.490 4.782 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 40077071 ALJQEIRUXKNUQG-SFHVURJKSA-N 432.289 4.967 30 10 IJEE CCCCn1c(O)c(C(=O)c2oc3cc(Br)ccc3c2C)c(C)c(C#N)c1=O 40522281 NTYHJAHFUVRZSF-UHFFFAOYSA-N 443.297 4.582 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 62484252 QIBPJRLCIXLOQX-UHFFFAOYSA-N 432.490 4.510 30 10 IJEE 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BFXPWVDODBAJGW-QFIPXVFZSA-N 447.443 4.580 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccco2)cc1 170284567 QYKAOQUUCRNNBP-NRFANRHFSA-N 433.460 4.697 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(C)o1 170305898 NXZXJZFOHNQXIH-NRFANRHFSA-N 439.414 4.966 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)c(OC)c1 170317473 BYOBAJMXTZJGLE-FQEVSTJZSA-N 441.549 4.985 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170379018 GVZFDSRGXUZSBS-QHCPKHFHSA-N 442.471 4.717 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(OC(C)C)c1 170475106 JKZCOXOJCBTSTN-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1C 170536835 PNBNUCVACDJBEI-UHFFFAOYSA-N 425.492 4.543 30 10 IJEE N#CCCn1cc(/C=C\C(=O)Nc2cccc(I)c2)c2ccccc21 207795700 DTSMVZFSUZIQBY-KTKRTIGZSA-N 441.272 4.811 30 10 IJEE C=CCOc1ccc(/C=C2\SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc1OCC 254866601 MXOKKOFBXIAGEO-KWKLDLJFSA-N 438.505 4.582 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(F)(F)Oc2ccccc2)n1C[C@H]1CCOC1 461602846 MXHPMWDILIOQQV-QGZVFWFLSA-N 446.523 4.697 30 10 IJEE N#CCCN(Cc1ccco1)C(=O)c1cc(Oc2cccc(Br)c2)ccn1 474761844 DMPVVQJLWPEBKH-UHFFFAOYSA-N 426.270 4.785 30 10 IJEE Cc1nc2ccccc2n1CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 475898930 QNPKGYWTYMVYCR-UHFFFAOYSA-N 426.495 4.975 30 10 IJEE O=C(Nc1ccc(F)cn1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 481292370 MSSIPJXBOSLJPU-AWEZNQCLSA-N 437.315 4.864 30 10 IJEE COc1cc(I)c(Cl)cc1CN[C@H](C)c1ccc(C#N)cc1F 482012016 YLBSWKVTKHNZFS-SNVBAGLBSA-N 444.675 4.815 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 503114645 ZQASLRQGYIGSEO-UZUQRXQVSA-N 443.544 4.704 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508487788 HAQSVTKFRANVJZ-INIZCTEOSA-N 436.585 4.727 30 10 IJEE COc1cc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526605607 CZNBZBXECHZSRJ-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c(OC)c1 526606326 DWRZYOWBKLJWTA-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE Cc1cc(C)n(CC(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 543084584 LEGGTJDHUNDYOE-CQSZACIVSA-N 447.301 4.957 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 576770358 OKFPGIKJTULUEY-MRXNPFEDSA-N 433.478 4.561 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@]2(CCCOC2)C1 584457580 NIRJWHXXFQGPGD-NRFANRHFSA-N 431.378 4.681 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2cccc(Cl)c2)CC1)c1c(F)cccc1Cl 586505567 BPIZQBHIPCUZGK-UHFFFAOYSA-N 446.327 4.579 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(C(=O)C4CCCCC4)CC3)c2)cc1 609209824 PBBWESZZLKOJQN-UHFFFAOYSA-N 432.524 4.607 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670197767 DUXHSCSXZAZZGS-TZIWHRDSSA-N 438.551 4.788 30 10 IJEE N#CCc1ccc(O)c([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 706523287 PDIJDRPVHWZSNR-QHCPKHFHSA-N 442.471 4.513 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(c2cccc(Cl)c2)C(=S)N[C@@H]1c1csnn1 731431075 QOOIORPPXCSHLA-LJQANCHMSA-N 440.981 4.936 30 10 IJEE N#Cc1ccccc1N=c1scc(-c2ccc3nc(O)oc3c2)n1Cc1cscn1 747602444 LWZUZDRWHJCQHZ-UHFFFAOYSA-N 431.502 4.672 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 787052638 NVHHAUFGNDRKPJ-OAQYLSRUSA-N 449.850 4.679 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 790146829 FPVSHHZNUXWFFK-VWLOTQADSA-N 444.547 4.593 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc3n(C(C)C)c4ccccc4n23)CC1 854405962 FRDJTVLSPMHLIU-WCCYLALTSA-N 438.601 4.676 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)[C@@H]1C[C@H]1c1ccccc1Cl 920372607 SKYBXXCBOVTTDO-ROUUACIJSA-N 441.944 4.522 30 10 IJEE Cc1cccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)c1 1084327666 UCDUYVVTSLQPMO-UHFFFAOYSA-N 430.537 4.833 30 10 IJEE Cc1ccccc1CSc1nnc(NN=Cc2cccc(Oc3ccccc3)c2)n1N 1084379268 IPZUPTOEYTXMDI-UHFFFAOYSA-N 430.537 4.831 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](C)[C@H]2C)c1 1126479754 AMVPRIPIAIVKAB-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1127588693 OXNWWSOPKSVZGC-NYHFZMIOSA-N 439.383 4.834 30 10 IJEE C#C[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1Cl)c1ccc(Br)cc1 1129731723 YISLJIJXZGSOMV-GOSISDBHSA-N 428.717 4.607 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(OC)cc1)[C@H](C)C1CC1 1141708040 RNBPHLQWQBYPNV-OXQOHEQNSA-N 436.980 4.858 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)s1 1152456112 VWONTQLZDAUFDF-FQEVSTJZSA-N 428.602 4.773 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1153987157 XJUZERPNJWXCTJ-SFHVURJKSA-N 446.613 4.501 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(C(F)(F)F)cn2)nc2sc(C)c(C)c2c1=O 1188225960 NUDSZYIZYKXBPY-UHFFFAOYSA-N 439.484 4.650 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 1199786926 KDOMQGOAYYLLRH-UUOWRZLLSA-N 429.561 4.943 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c3ccccc3)cc2n1 1209592015 ZRELLHJVMFFWPY-RUZDIDTESA-N 434.540 4.643 30 10 IJEE C#Cc1ccc(NC(=O)NCCC(=O)Nc2cc(Br)ccc2C)c(Cl)c1 1220233049 CZDSPLMBBMYYMN-UHFFFAOYSA-N 434.721 4.543 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1226661192 RCBDKWIHUGBQGF-ZCNNSNEGSA-N 435.515 4.765 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 1231206620 NSCOKKMUOOTGEX-REWPJTCUSA-N 429.967 4.912 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC)[C@H](C)CC)c1 1278955610 YRXYRQAUEAKCHK-QGZVFWFLSA-N 434.989 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCc1nc(C(C)(C)C)cs1 1286291740 WDEONJDLFLGAQM-KRWDZBQOSA-N 444.608 4.948 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)ccc1SC 1286304584 IIXAHRJZOSBJPF-QKYXUNIQSA-N 430.593 4.564 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1csc(C(C)(C)C)n1 1286369267 JUIBCPZMRQGDKM-UHFFFAOYSA-N 446.580 4.666 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1286418314 HBZKIRMATGGUKY-QFIPXVFZSA-N 436.987 4.943 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(CC)CCC(F)(F)F 1286438698 BBIPNLWQAMTANL-UHFFFAOYSA-N 449.565 4.976 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCC[C@H]1C 1286451380 IWAGCGSGSBOQCC-MOXGXCLJSA-N 430.980 4.573 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1nc(C)c(C)s1 1286454813 PHWKQNKJIMJNBQ-UHFFFAOYSA-N 435.528 4.747 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnc1C(C)(C)C 1286567474 QNNKRLGNCSJFFR-RXVVDRJESA-N 439.560 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1csc2ccccc12 1286582592 AKIXJBWMGPUPLQ-UHFFFAOYSA-N 434.613 5.000 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCS[C@@H](C)[C@H]1C 1286588011 XWSHQPOUDISNFO-KGLIPLIRSA-N 437.407 4.623 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCN3CCCC3)cc2)CC1 1286646311 PEXHXFHSVYOUNL-UHFFFAOYSA-N 437.632 4.546 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](SC)C(C)(C)C)CC1 1286664353 UUHSBNGQBYYSQM-OAQYLSRUSA-N 439.629 4.909 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286669110 YWLVSYZHPUSEPK-MAUKXSAKSA-N 438.494 4.712 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1286692304 DFUWEDCDVMPZMN-SFHVURJKSA-N 429.996 4.700 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC1(CCOC)CC1)C1CC1 1286733006 MGPPSTHNMGFLLU-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F)c1ccccc1 1288364050 GCICHOJEJXJQON-JOCHJYFZSA-N 432.561 4.682 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H]2CCCCO2)c1 1289334851 BZWNEPSDOVJGPJ-BWKNWUBXSA-N 437.588 4.563 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)CCCC1 1297803794 KRFLVSYDJRGEEK-UHFFFAOYSA-N 448.972 4.713 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCS1 1300317712 UDGGDMZLLBGICI-IEBWSBKVSA-N 433.021 4.605 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1300340975 AQNUPGDDPSOVKC-SLFFLAALSA-N 442.629 4.951 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCc2sccc2C1 1300353618 WYDCGSBWAWCHAF-UHFFFAOYSA-N 436.581 4.780 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC)CC1CC1 1300362557 RAXYEAQBIRAQQJ-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCSC 1300513085 VMLROLMEIZKIPQ-GOSISDBHSA-N 431.005 4.514 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1Cc1cccs1 1300747207 YJFGRZAWQGXSHQ-QGZVFWFLSA-N 444.029 4.633 30 10 IJEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1300767227 SXJCWGGYAXDLRG-GOSISDBHSA-N 431.565 4.574 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(CC)(CC)C1 1300857321 AGHCWTLMZBIEAV-UHFFFAOYSA-N 449.393 4.791 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1300868798 HTICGKADVHCDLM-ISQZKQDNSA-N 438.616 4.805 30 10 IJEE C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300965461 PZQINDWHSWHZSK-RLLQIKCJSA-N 425.577 4.822 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CC=CCC1)c1ccccc1 1301166287 SWMBTRXIAVTJIG-FYYLOGMGSA-N 433.600 4.553 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)c2ccccc2)CC1 1301190718 XYNJSCNKKSMPPH-UHFFFAOYSA-N 430.600 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccc(F)cc1 1301365739 WYZLMOTYRZLHKH-LAUBAEHRSA-N 442.560 4.990 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1301368203 YYVMIPDWJDLPTD-FYYLOGMGSA-N 436.648 4.911 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCC1(F)F 1301394901 UNLNTGBQOWFYQA-SFHVURJKSA-N 426.515 4.521 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2CC[C@H](C)N2CCCCC2)cc1 1304431299 FNUWMXASLHZWTQ-RTWAWAEBSA-N 440.661 4.739 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](c1cccs1)N1CCCC1 1304524384 HJSYFCDDSWSCCM-RXVVDRJESA-N 434.613 4.748 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1310071033 LGDQCNQSSZDWCJ-QFIPXVFZSA-N 441.597 4.999 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCCSC[C@H]1c1ccccc1OC)C(C)C 1311388710 QNXYJZUJSDYICI-VXKWHMMOSA-N 431.646 4.583 30 10 IJEE CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1312099428 AWRMEZDOEMLTND-NRFANRHFSA-N 446.517 4.672 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 1312702714 YFGSQOBTFUCEML-FQEVSTJZSA-N 449.576 4.567 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1357290453 DXAVFRLTEPOVEV-HHHXNRCGSA-N 434.580 4.823 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc3cc(Br)cnc3n2C)c1 1358007841 ZIHCEOWIEFOKQP-UHFFFAOYSA-N 434.293 4.757 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1358905292 WMZLSKHSKGUOES-VHYCJAOWSA-N 435.616 4.507 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1358907034 ASFPHXLANZXVFH-HYBUGGRVSA-N 448.567 4.782 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC(F)(F)C1 1358971755 HZWUJIIDVBTJLR-IRXDYDNUSA-N 428.552 4.640 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359204991 IFLCVWMLHAMYAF-UHFFFAOYSA-N 449.624 4.639 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CO)CC1 1359208619 QAZCNLANXTWIMW-GOSISDBHSA-N 432.996 4.863 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@](C)(CC)C1 1359223691 SYIVHTBNGQLBRW-VWLOTQADSA-N 426.605 4.841 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1359243130 GBRBYAWOLFQGQE-IFMALSPDSA-N 440.632 4.924 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(OC)CCCC1)C1CC1 1359247809 PXVOMBPGLSDKFZ-UHFFFAOYSA-N 449.368 4.961 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N[C@@H](C)CC)C1CC1 1359248127 BHIQNROHQDUGQQ-AWEZNQCLSA-N 436.387 4.712 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC(C)C 1359261608 OXCFGIIDQBXRFU-IFMALSPDSA-N 444.595 4.953 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1)C(C)C 1359265149 ZLHDTMHCAKJVOZ-PQNGQFLHSA-N 432.616 4.608 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1CC1CCN(CC(F)(F)F)CC1 1359273287 VHTQMCDPIDXDHB-UHFFFAOYSA-N 447.549 4.630 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(Cl)cc2)C1 1359315847 CUXPTBFFGKSJGG-LJQANCHMSA-N 444.366 4.671 30 10 IJEE COc1ccc(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(Cl)c1OC 1360877349 DMCDEXBRLQLEMA-UHFFFAOYSA-N 426.925 4.816 30 10 IJEE COC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc(Cl)c1F 1436109182 DVRZFOCBGZLVNP-UHFFFAOYSA-N 438.842 4.969 30 10 IJEE C=CCCn1cc(C(=O)O[C@@H](C)c2cnc(-c3ccc(Br)cc3)s2)nn1 1458185378 BVGUWNFKBUXVMB-LBPRGKRZSA-N 433.331 4.658 30 10 IJEE O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccnc(OCC(F)(F)F)c1 1459554918 IDPPKYQOPQXVGO-ZDUSSCGKSA-N 430.707 4.849 30 10 IJEE N#Cc1ccc(CN2CC[C@@H](NCc3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 1461470995 HOILFKGKDKNIGP-RUZDIDTESA-N 445.950 4.681 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C)c1ccccc1 1475627603 VRHKEGHMXYFYES-MBSDFSHPSA-N 426.582 4.923 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 1476231604 FDDHXENUIGYHCG-UHFFFAOYSA-N 428.265 4.543 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H](CC2CCCCC2)c2ccccc2)C1 1477726412 BNIUUNDBOKRRER-FKBYEOEOSA-N 440.588 4.756 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2(CC)CCC2)c1 1507552747 SJYBHXUGWXIOQL-UHFFFAOYSA-N 447.608 4.567 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C(C)C)cs1 1507602151 MJUMIQSBMBNHNY-OAHLLOKOSA-N 429.977 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(C)(C)C 1507815649 IIXRBLBDTQILMB-UHFFFAOYSA-N 436.604 4.904 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1507838517 SPNZMHJFBYVLCR-UHFFFAOYSA-N 426.870 4.890 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)N2CCCCC2)CC1 1507877556 KFDAPJMADPIPQK-UHFFFAOYSA-N 445.558 4.967 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC[C@H]2CCCCO2)CC1 1507881554 ODSPIELHVPAYHP-NHCUHLMSSA-N 440.588 4.932 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1507941660 IDMXVYJOROUHJG-GGAORHGYSA-N 432.616 4.874 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 1507995529 LUPZNNOWQIVMKB-UHFFFAOYSA-N 439.604 4.521 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@H](c1cccs1)N(C)C 1507997111 ORBFHTGSDXCBFN-OAQYLSRUSA-N 434.613 4.830 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1508157854 CDFVBVPJSAXNAW-JOCHJYFZSA-N 447.693 4.531 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C 1509301932 FKOIBPCKOFWNHU-VAMGGRTRSA-N 444.624 4.740 30 10 IJEE C[C@](O)(Cn1c(CC2CCCC2)nnc1N(CCC#N)CC1CC1)c1ccccc1Cl 1510233809 HEOUJYXSBNEIGH-DEOSSOPVSA-N 442.007 4.702 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCc2sccc2C1 1512692406 GJKLUEXQELROQX-XDHUDOTRSA-N 435.597 4.628 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1513636790 CYUOXZYWXQJHBT-HKUYNNGSSA-N 443.979 4.607 30 10 IJEE CCc1cnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@](C)(C#N)C2)s1 1513714128 BSNAGXHDPFARAJ-NRFANRHFSA-N 444.967 4.935 30 10 IJEE COCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)C#N)CCCCC1 1518784176 ARXFXBQFWQYYFU-MOPGFXCFSA-N 443.567 4.750 30 10 IJEE CC#CCCCC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I 1520195119 LHALJINGHQUFSW-HXUWFJFHSA-N 435.280 4.830 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C#N)cs1)c1ccc2c(c1)OCCO2 1522213376 YUYLBVSVZMNLKB-UHFFFAOYSA-N 432.501 4.803 30 10 IJEE C#C[C@H](NC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1528087395 CZBXRPZLCGQQHR-LENZSSGSSA-N 430.298 4.501 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1 1536405216 CYWLCQYIOBENAP-LJQANCHMSA-N 448.548 4.929 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCSC2(CCCCC2)C1 1539140189 RNELBBFXCAMRGE-UHFFFAOYSA-N 440.613 4.535 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)c1cccs1 1539251415 FYZASGNLNWKHFW-UHFFFAOYSA-N 425.561 4.605 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC2(CC2)C1 1539500534 YOVJBZLTIJACLB-UHFFFAOYSA-N 445.430 4.763 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN1CC 1539649877 FDFKGAAGJODCEX-YADHBBJMSA-N 425.621 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1539668719 CUZBHFLVJRAKJB-UHFFFAOYSA-N 432.922 4.723 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1539875796 WRFPWCBHTGULSL-QUCCMNQESA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1539921101 RAVQNKMDMKHTFX-GOSISDBHSA-N 427.593 4.541 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1539938838 CHWWHONHHUAZLR-ZLNRFVROSA-N 438.616 4.783 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1C(F)(F)F 1540161753 OCLJLHDJEZVSCN-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1c(C)noc1C 1540186467 CFLRQRGMQRFAAU-UWJYYQICSA-N 439.560 4.756 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1OC 1540992735 YHWRANSBWCZLMY-OSJHKOOESA-N 434.580 4.822 30 10 IJEE CC1(C)CCCN(CCn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)C1 1542002875 FXRGRUIMTXGQCA-UHFFFAOYSA-N 434.632 4.738 30 10 IJEE C=C[C@@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 1543360649 DFKHIRLWJSAAQW-HXUWFJFHSA-N 427.472 4.847 30 10 IJEE C=CCC1(C(=O)Nc2ccc(CS(=O)(=O)Nc3ccc(OC)cc3)cc2)CCCC1 1544304308 STDNAOJZJJUVPH-UHFFFAOYSA-N 428.554 4.712 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1544713174 HYZFCPRKNYZAJY-KRWDZBQOSA-N 448.537 4.572 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1ccc(Cl)cc1F 1556559502 JACRXERDPHKNNX-FQEVSTJZSA-N 446.869 4.712 30 10 IJEE C#CCN(Cc1cc(=O)oc2cc(C)ccc12)[C@H]1CCOc2ccc(Br)cc21 1559543773 FAVUPSWFJADGDZ-FQEVSTJZSA-N 438.321 4.823 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1C(F)(F)F 1561110150 HISMAVZECTXZFS-GOSISDBHSA-N 440.443 4.846 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1561744914 CQUUXAFQEAQPNV-CZUORRHYSA-N 441.416 4.986 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)C1CCOCC1 1562178296 CERHSYBNYGOMRW-IBGZPJMESA-N 445.441 4.508 30 10 IJEE C=CCC[C@@H](NC(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)c1ccc(C(F)(F)F)cc1 1566676485 YIWFWPXZKXUKEG-QZTJIDSGSA-N 444.494 4.759 30 10 IJEE C=CCC1(NC(=O)c2cccc(Sc3cccc(Br)c3)n2)CCOCC1 1586900538 CXLGLDBKDHTCSS-UHFFFAOYSA-N 433.371 4.850 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 1587877368 PZZDAJLITFTBPB-PABCKOPISA-N 443.632 4.509 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCS1 1588283683 BQWORZPWKABFCY-KRWDZBQOSA-N 433.419 4.761 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](c2ccco2)C1 1588984221 GQHCFSBLQSJXLK-ROUUACIJSA-N 440.544 4.511 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)CC[C@H]1C 1589421788 YJLNTYAHNWPSNJ-GXTWGEPZSA-N 425.321 4.681 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1589547739 VQKWGEPZRSEXDF-ADYITMSISA-N 430.637 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C1CCC1 1589581956 WXQMGNNMIAEZEL-VGSWGCGISA-N 428.602 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1N1CCCCC1 1589669271 OSRHIOGVSIOXEY-UHFFFAOYSA-N 430.600 4.705 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1593846156 WUFABUJAZCAOBQ-OAHLLOKOSA-N 432.355 4.822 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1594134689 UPAZUTNTBULPAB-SFTDATJTSA-N 440.588 4.617 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1594651867 SBVUUPSNHLFSHP-FQEVSTJZSA-N 436.560 4.597 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@@H]1CC 1595276321 ZDAAIGIZCYHQFW-HOTGVXAUSA-N 436.398 4.501 30 10 IJEE C=CCn1c(COc2ccc(OC)cc2)nnc1N(C)Cc1cc(Br)cs1 1595442540 RCZGKSZHDUYEBB-UHFFFAOYSA-N 449.374 4.512 30 10 IJEE CSc1ccc(NC(=O)Cn2cc(Nc3ccc(C#N)c(Br)c3)cn2)cc1 1611955181 BJICLOUUFCJGHP-UHFFFAOYSA-N 442.342 4.621 30 10 IJEE Cc1ccc2c(CCn3c([C@@H]4CCO[C@H]4C(C)(C)C)nnc3N(C)[C@H](C)CC#N)c[nH]c2c1 1612171902 GDCWDFJCZFOVLN-JMUQELJHSA-N 448.615 4.968 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)n1 1612192997 DIKORPKYAZUBFW-IRLDBZIGSA-N 436.604 4.620 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1I 1617458826 OBBWWHUXDPDJCO-IAQYHMDHSA-N 448.142 4.918 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccnn2Cc2ccccc2Br)cc1 1624035433 WEIFYRZCDRTJJU-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 1632714864 GDIVYLGGRRWNKP-SCLBCKFNSA-N 425.356 4.746 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NCc2nc(C)cs2)c1)c1ccc(Br)cc1 1637662900 JTWGLILUBMKHGT-LJQANCHMSA-N 440.366 4.930 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 1639253520 ARYCDAWJIGDLLC-HNNXBMFYSA-N 448.869 4.726 30 10 IJEE C=CCn1c(S[C@H](C)c2ncc(Br)cn2)nc2sc3c(c2c1=O)CCC3 1640684267 UKTUDORERDELMV-SNVBAGLBSA-N 449.399 4.539 30 10 IJEE CC[C@@H]1Cc2ccccc2CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1642633445 GICYERDPUDNEOQ-XMMPIXPASA-N 426.564 4.800 30 10 IJEE C[C@@H](Cc1c(F)cccc1F)NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1642684926 HZTZJZQLRDJMNN-ROUUACIJSA-N 433.502 4.901 30 10 IJEE COc1cc(CN2CCN(c3cccc(F)c3F)CC2)ccc1OCc1cccc(C#N)c1 1645477235 FJXATARHICMVLA-UHFFFAOYSA-N 449.501 4.746 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCC(C)(C)C[C@@H]3c3ccccc3)ccc2c1=O 1650785051 DTDAHFCVHWIGHO-RTWAWAEBSA-N 447.604 4.964 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(-c2ccccc2)nc1C 1651902121 ZEFFTDMJILPIMC-INIZCTEOSA-N 435.977 4.771 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2OC)nnc1-c1ccc(Cl)cc1 1652406576 ZZGZHFVKYVMVIM-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE CCOC(=O)c1oc2ccccc2c1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1654336221 DDAVEHRJERBPIW-OAQYLSRUSA-N 437.927 4.645 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1cc(C)nc(-c2ccc(Br)cc2)n1 1655091689 GJHHAPQZVBIGCU-UHFFFAOYSA-N 437.341 4.739 30 10 IJEE C=CCn1c(SCc2ccc(CN3CCOCC3)cc2)nnc1-c1cccc(Cl)c1 1656403291 QYVCJFCLOKPXLQ-UHFFFAOYSA-N 441.000 4.909 30 10 IJEE Cc1cccc(COc2ccc([C@H](C)N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2)c1 1657931676 DAFICAYBUIXLRD-FNZWTVRRSA-N 425.532 4.902 30 10 IJEE CN(c1ccccc1)c1ccc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 1657957645 IABLAHNIDYDSTA-DEOSSOPVSA-N 431.971 4.885 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCN(C)C)Cc1ccsc1 1662577590 UCGHDFRZLVWNQG-UHFFFAOYSA-N 438.391 4.671 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(Br)cc1 1674026027 QNVGZCIOERMLFP-AEFFLSMTSA-N 437.341 4.589 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H]2CC3(CCC3)Oc3ccc(Br)cc32)CC1 1677105733 PUJLEAATVIKJFI-IBGZPJMESA-N 448.405 4.535 30 10 IJEE C[C@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1nc(-c2ccccc2)cs1 1678705892 ASWYWWYCTJWSRZ-KRWDZBQOSA-N 431.565 4.711 30 10 IJEE N#Cc1nc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)ccc1Br 1679661063 AKNKUBFLUMNPSZ-LBPRGKRZSA-N 431.187 4.670 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(Cl)cc1F 1682367708 QFZWBOTYHHAQDY-OXJNMPFZSA-N 443.954 4.908 30 10 IJEE C#CCN(C(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1)C1CCCCC1 1685003152 UGTRZFSOFBTPIW-UHFFFAOYSA-N 427.545 4.616 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1689917746 FRXAJOGGNPVRAG-UHFFFAOYSA-N 442.611 4.680 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCC[C@@H]1CCCCO1 1690054531 APJZLYUXFDOJFM-QFIPXVFZSA-N 436.625 4.691 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OC(C)C)CC1 1690302844 MPZSHDXIPRQMMS-UHFFFAOYSA-N 449.599 4.788 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1690317039 SATPTRGMPDTQFB-UHFFFAOYSA-N 436.503 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)[C@@H]1CC 1690422074 CDQHQASOJRQOHK-KRWDZBQOSA-N 436.387 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690435954 IUNUYLKULGBQTL-UHFFFAOYSA-N 446.599 4.617 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC(S(=O)(=O)CC)CC1)c1ccccc1 1690442183 NYNOSSQMZIBNEU-FPOVZHCZSA-N 444.645 4.555 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCC(C)(C)C1)C1CC1 1690549920 MZGQINZRMFJLGM-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@H]1CCCCC1(F)F 1690607513 OFKRPKCMMXAXFX-GOSISDBHSA-N 429.515 4.937 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(SC)cc2)C1 1690710976 ZKMUTMZIUMXFOD-HXUWFJFHSA-N 440.638 4.676 30 10 IJEE CSC1(Cn2c(-c3ccccc3)nnc2N(CCC#N)CCC(C)C)CCOCC1 1698360975 BMNPMMXECHOSCH-UHFFFAOYSA-N 427.618 4.623 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCCCC1 1705605201 DTWNNXVWNFICCQ-UHFFFAOYSA-N 448.640 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCN(C(C)C)C(C)C 1705670846 LFGKMFLVSJRYEZ-HSZRJFAPSA-N 431.987 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)CCc1cccs1 1705699377 GFZWLAJRTRATBD-UGKGYDQZSA-N 437.613 4.760 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(OC)cc1 1705699972 NOJYQDDCPUWYAS-QPPBQGQZSA-N 447.583 4.665 30 10 IJEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1705741380 ODTZBFIPEIGNNJ-INIZCTEOSA-N 437.371 4.615 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1705763720 BZVHZAKJSFUEHL-DLBZAZTESA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)noc1C 1705834188 GAKIXGXNCRWDJB-KRWDZBQOSA-N 429.952 4.964 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CC(=O)N(C)C1CCCCC1 1705858154 QISNMQXYYIXYMI-HXUWFJFHSA-N 448.615 4.647 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCc2c(F)cc(F)cc2C1)C(C)C 1705867328 LVAXUBCJMTUJJK-QHCPKHFHSA-N 441.570 4.695 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(Cl)cc2)C1 1705927019 PKBDMLUPFWDICD-FQEVSTJZSA-N 428.989 4.608 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCCC1 1711179469 HAPOBTARKRIBMK-UHFFFAOYSA-N 435.597 4.642 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnccn1 1722309774 DNYCKHGYYAREHL-UHFFFAOYSA-N 439.567 4.583 30 10 IJEE C#CCSCCn1c(-c2cccnc2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1722456383 XXYXUZCOYSUCSP-UHFFFAOYSA-N 443.576 4.815 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1722535073 YKZUMOSESIVDJK-JOCHJYFZSA-N 439.629 4.607 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCC1 1722605113 VYFXTEWMTMCMOY-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1Cc1cccc(Br)n1 1722655505 FRFXKRMMOJKTPS-UHFFFAOYSA-N 440.389 4.974 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCCOC(F)(F)F 1722660255 QQFTZFYDADKVKK-SFHVURJKSA-N 442.457 4.778 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N3CCCC3)C2)cc1 1722704087 BSIMZAXBEMVYTK-JOCHJYFZSA-N 437.632 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2ccsc2)C1 1722723341 XSCCQQSXCQCLTD-HXUWFJFHSA-N 428.989 4.608 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCC[C@@H](O)C1 1723390064 BJTMJFZUIYLNLI-JTHBVZDNSA-N 448.615 4.598 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1Cc1ccnc(OC2CCCC2)c1 1729397183 AEIXEFWRCADXOR-UHFFFAOYSA-N 444.583 4.848 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1740582035 IAHOAZQCOFIAGT-HXUWFJFHSA-N 428.895 4.630 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1740595558 VGNMDADZQRLMGN-SFHVURJKSA-N 445.405 4.905 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@@H]1CC 1740661648 GZFCPJORIPIDHW-PKTZIBPZSA-N 437.632 4.759 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc(C2CC2)cs1 1740661774 JLRNCMLXBOWOTJ-GOSISDBHSA-N 435.597 4.877 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1(COC)CCC1 1740664839 FTSFCXZXVCHXFM-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(N(C)C)CCC1 1740768230 HQWYJZUWLNEPPY-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccccc1C 1740794091 PBXMFTXXOSOXGB-QFIPXVFZSA-N 437.613 4.876 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CC1(C(=O)N(C)C)CCCC1 1740928085 TVZNHQBPTFAGEA-UHFFFAOYSA-N 433.556 4.518 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCN2CC)C1 1740974071 BJLNXEYVFVOUGO-GOTSBHOMSA-N 437.632 4.508 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1740997956 FTCQKBRGCCSGNX-UHFFFAOYSA-N 429.977 4.558 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1748724389 CDYDZMQABQTSRY-KDURUIRLSA-N 425.527 4.812 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749032531 KNRBUYWMGAYBAT-GOSISDBHSA-N 435.597 4.839 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCCSC 1749120119 ATSOGGRXZHBEBG-GHTZIAJQSA-N 426.586 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCC[C@H]1C 1749148201 ZLSVQAPNBJQGOB-MSOLQXFVSA-N 428.577 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCC[C@H]1C 1749171577 YJTOBJBOZQNMAY-YPAWHYETSA-N 431.669 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1749376456 ZHTQKJNPRKWCKE-HXUWFJFHSA-N 442.579 4.851 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1749418101 XCVPRIQZSYPQJF-BEIWTESXSA-N 444.004 4.895 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC2(CCCC2)C1 1749420261 BTFZPVXWTVLCAL-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCc1nc(C)c(C)s1 1749478594 HFFDEUUBJTXKPT-UHFFFAOYSA-N 432.391 4.646 30 10 IJEE C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC#N)N1CCC[C@@H](C)C1 1752138984 CRMJIQBJLXGYHW-IKGGRYGDSA-N 432.975 4.596 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C(C)C)C1 1760132364 HSUXAVXBCGNJFM-ICSRJNTNSA-N 426.630 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCC)CC1 1760320060 RWRHFYKSHAVMAR-SGNDLWITSA-N 449.599 4.583 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](SC)C1 1760352072 OBGNUTYYJKPWOX-GHTZIAJQSA-N 448.608 4.872 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCCCN2CCC(C)CC2)CC1 1760399888 HJUDQYICZRINAY-UHFFFAOYSA-N 437.632 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(CC)[C@H](C)C1 1760415649 GVXFHXLNXIDQBS-HXUWFJFHSA-N 425.621 4.552 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1760445255 FDJICEIIPMWNKT-OXJNMPFZSA-N 436.959 4.755 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCN(C)C1CCCCC1 1760483591 VKAUCZVYOBUERU-UHFFFAOYSA-N 436.579 4.869 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC(F)(F)C1)C(C)C 1760487810 DWPMFRQMIZEORL-NRFANRHFSA-N 429.559 4.798 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1sc(C)nc1C 1760499652 FNRPKCHTXASNDJ-UHFFFAOYSA-N 444.564 4.767 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760532146 LYUVIEOARKSRRT-YADHBBJMSA-N 437.632 4.717 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCCS2)C1 1760550380 XOHHOSPKTUHSKL-IRLDBZIGSA-N 442.629 4.541 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N(C)C 1768777233 HCSAREUJEUKRSW-JOCHJYFZSA-N 432.572 4.729 30 10 IJEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=NN=Cc2cccs2)N1Cc1ccco1 1772758261 ZCOLXRQOLVETJK-WPILSZEVSA-N 438.490 4.756 30 10 IJEE CC(C)(C)OC(=O)N1CC/C(=N/OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)C1 1860467909 NGPSAQHOJGAUGJ-PCWMPERLSA-N 436.508 4.819 30 10 IJEE O=C(/C=C/c1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1860633761 DNTYNIOUNZALEQ-DTQAZKPQSA-N 444.962 4.856 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2)c1 1860693184 VLTNRVGOTBNXJC-UHFFFAOYSA-N 442.490 4.865 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)C1CCN(Cc2cccc(F)c2)CC1 1861178393 LJEVDKDROHQQJB-OAQYLSRUSA-N 447.639 4.799 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862398568 UYSKISIQGBNGQF-JOCHJYFZSA-N 433.504 4.580 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCN(C)C)cc1 1862432160 XVPINVNOANGZSX-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 1862468540 QXHYUWOHEZDWPZ-SGTLLEGYSA-N 432.289 4.965 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862501509 DQGVNPOYWUDXPW-QHCPKHFHSA-N 430.479 4.870 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccccc2Cl)ccc1F 1862503180 SBLSTENVYJSCNB-FQEVSTJZSA-N 431.891 4.528 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1F 1862506877 WRXBDCUOLDEUEZ-HXUWFJFHSA-N 426.444 4.667 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1 1862508173 YIDLJNZAASGNCF-QHCPKHFHSA-N 438.543 4.834 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc(O)c1 1862594694 VGORYDVTPIYTDS-OAQYLSRUSA-N 436.464 4.602 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862597451 MYPAGLYIIZRAEA-NRFANRHFSA-N 435.501 4.631 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 1862625554 JTOAUIQQYIKFNC-CMJOXMDJSA-N 445.446 4.894 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862664521 KUNOBUPILJCZIQ-VWNXMTODSA-N 449.547 4.966 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862680976 OOMMTCIGSQWQCF-ADLMAVQZSA-N 433.863 4.570 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)c(O)c2)c1 1862700810 PHLSBHNBRBBWBV-HSZRJFAPSA-N 449.503 4.575 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC(C)C)c1 1862740043 NIDPCWVWOBVOMD-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2cccc3cccnc23)C1=O 1863050495 JFOHTXWEWDJENM-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863445685 GSBCMPYMKFAOKX-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(C)c2)c(C(C)(C)C)c1 1870144610 HNAWOAQQOIJIEP-UHFFFAOYSA-N 437.931 4.724 30 10 IJEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CSc1ccc(C)cc1 1870254566 BOOPENSCYMCEST-FQEVSTJZSA-N 448.588 4.891 30 10 IJEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CN2CCc3ccccc3C2)cc1=O 1870411026 QBDMLGFRMDNXAO-VWLOTQADSA-N 438.612 4.935 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1cc(Cl)ccc1C 1871015457 HWHPVFVNLKCZJF-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE COc1ccc(-c2coc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3c2=O)cc1 1871436245 RQZWNLQNIFRNFO-MRXNPFEDSA-N 440.455 4.746 30 10 IJEE CCCCCCCCCCN=c1nc(N2C[C@H](C)O[C@H](C)C2)[nH]c(=Nc2ccccc2)[nH]1 1871601850 QYWLBJDWEOONJM-OYRHEFFESA-N 440.636 4.625 30 10 IJEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 1872772947 UXSBGNVDBVPCHA-CTNGQTDRSA-N 429.545 4.652 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(F)c2)cs1 1872775039 IXFMPXBIGZICPB-INIZCTEOSA-N 438.480 4.778 30 10 IJEE C=CCn1c(C(=O)Nc2cc(OC)cc(OC)c2)cc2c(NCCCCCC)ncnc21 1873638801 MAVNJNYXMGOGIF-UHFFFAOYSA-N 437.544 4.879 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OC)c(Cl)c1)n2CCC 1873656732 JOUJFONANKHXGJ-UHFFFAOYSA-N 439.947 4.934 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874284530 LOTIZYXAFHHOMP-LFVJCYFKSA-N 425.989 4.943 30 10 IJEE COc1cccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)c1O 1874375675 IINNAMSGJNEIDF-CVKSISIWSA-N 448.523 4.897 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874446070 RXKTWEKLGILLCR-FINLKQIMSA-N 436.537 4.619 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874464168 UYJBYVLOVIMTEL-BUVRLJJBSA-N 439.585 4.678 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)c1 1874465954 JYRSGPUHTVIHLJ-LPYMAVHISA-N 435.465 4.629 30 10 IJEE COCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Br)cc1 1874471197 IGCOTSOHHYLEMZ-LPYMAVHISA-N 445.386 4.712 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2ccccc2Cl)cc1OCC 1874565654 NAFFLJWPZLZICB-YDZHTSKRSA-N 446.960 4.869 30 10 IJEE Cc1cccc(OCCCc2nnc(S)n2/N=C/c2ccc(Br)cc2)c1 1874567172 JJGMVUHDBDCSKC-FYJGNVAPSA-N 431.359 4.532 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC 1874595144 WTEFFRHGNSJEQJ-NTUHNPAUSA-N 425.525 4.627 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Br)c1OCCO 1874626531 JKECSQSPWFHNLP-SOFGYWHQSA-N 449.341 4.740 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2ncc(Br)cc2Cl)C3)OC1(C)C 1879793840 MRGLPZSMQXFPKS-XIKOKIGWSA-N 427.579 4.556 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2ccc(Cl)cc2Cl)c1 1891210581 KCTCZFDSUXZSHV-UHFFFAOYSA-N 433.379 4.971 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)c1cc(-c2cccs2)nc2ccccc12 1892023399 UNIKPAUSFJLJLJ-UHFFFAOYSA-N 437.568 4.755 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)NCCC 1922106400 CLWKYEAQVPAZTC-RTBURBONSA-N 430.511 4.973 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)[C@]2(CCOC2)C1 1934841054 BFRJHWAEDRVRAZ-KAYWLYCHSA-N 447.579 4.751 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1984779750 XLOPWFMZISXXHR-XMERXJNXSA-N 444.575 4.954 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C(F)(F)CC1 2020298189 RZBOTBJYYDJCRB-OAQYLSRUSA-N 443.535 4.952 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(F)c3)=C(O)C(=O)N2Cc2cccs2)cc1 2033813748 GAVFTROASAJDAV-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035467742 GOFPWKXZQIBAKP-RPBOFIJWSA-N 436.596 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C(C)(C)C1 2132479678 KMQLQBJPPNVDCW-GFCCVEGCSA-N 426.330 4.589 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 2159121401 UEXOTSNBBQJZBU-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@@](C#N)(C3CC3)C2)c1 2181047553 PAMPYEDNILSZPQ-FQEVSTJZSA-N 434.334 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCC(=O)Nc2ccc(C#N)c(Br)c2)C1 2203260799 YSTRECMJLDPLKM-UKRRQHHQSA-N 436.350 4.733 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Br)nn2CC)C1 2232484552 KHMVKHCOQFTZIK-QGZVFWFLSA-N 441.414 4.567 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CC1CC(NC(=O)OC(C)(C)C)C1 2235730708 OXQGUPDZJCUXIE-AVAKVYKDSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 2235735641 ZWCSVFMAQUTOAG-PWIZWCRZSA-N 435.406 4.957 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2235747241 OKNNHSZRBFJOKK-ILZDJORESA-N 435.406 4.672 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#Cc1ccccc1Cl 2245961473 JDLGQGBRNCNRSX-MTNREXPMSA-N 428.960 4.517 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2262198734 BJWNNFSWKPNIAO-VWLOTQADSA-N 445.556 4.553 30 10 IJEE CN(Cc1ccccc1I)c1ccc(Br)cc1C#N 2265531162 UNYCIYIYJLOZMW-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267556866 ZOVRQHWUAJMFNU-HDICACEKSA-N 444.381 4.831 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](N)(C#Cc2cccc(Br)c2)C[C@H]1C1CCC1 2296231476 DNTHFGPLGRBDMK-SIKLNZKXSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2ccc(Br)cc2)CC12CCCC2 2296290650 FXDDPYFQICVAIT-IEBWSBKVSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(N)C#Cc1ccc(Br)cc1 2296290933 JBLFXUVIASHXCQ-FGSXEWAUSA-N 433.390 4.554 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C1CC1 2296294427 UFKKNRIUFMMCDV-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2sccc2I)CC1 2301020168 VUGHLDSIKPUCOA-UHFFFAOYSA-N 445.175 4.506 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@](C)(C(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1 2305400432 NTXRSQSXCRBTFR-UXIGSVSMSA-N 430.589 4.992 30 10 IJEE C[C@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2317347368 WRFCMVIFHMVGHM-MLFXKNMZSA-N 432.370 4.656 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2321109433 NGZDQAQLGRAGLZ-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1sc(N(C)C)nc1C 2321774177 VPQDDGOJOBDNCY-UHFFFAOYSA-N 435.022 4.889 30 10 IJEE Cc1cc(OC(=O)c2ccc(Br)cc2)cc2c1C(=O)C(=Cc1cccnc1)O2 2322708412 NOVLTGQBEWGTSD-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)N[C@H](C)c1ccccc1 2323719212 XZKTUQLESLBGSO-LJQANCHMSA-N 445.515 4.856 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)c1 2324745238 PNDAKVLGBKFYOO-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1ccccc1C(=O)O 2325152529 UTHTXNCPXIUNPW-UHFFFAOYSA-N 441.439 4.575 30 10 IJEE C[C@@H]1C[C@@](C=O)(Cc2ccc(I)c(Br)c2)CCS1 2325273963 BCCXUMRNZYNFMN-QMTHXVAHSA-N 439.156 4.697 30 10 IJEE Cc1c(OC[C@H]2CCCO2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2325690535 RQXMUVMSKUYVQM-QGZVFWFLSA-N 428.868 4.689 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)cc1 2328567251 VWBFPPDEJGELIU-UHFFFAOYSA-N 429.549 4.837 30 10 IJEE Cc1cccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2N=Cc2ccccc2C)c1 2328998238 LNEXKEAGERFMPK-JOCHJYFZSA-N 447.608 4.794 30 10 IJEE C=CCNC(=O)Oc1cccc2c(NC(=O)C=Cc3cc(OC)ccc3OC)cccc12 2329918149 KACJHFDCZSBAKR-UHFFFAOYSA-N 432.476 4.783 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccc(Cl)c1 2330529776 FKWRIZFGNWXZJY-UHFFFAOYSA-N 433.990 4.503 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1c(Cl)cccc1Cl 2331416586 KTWLFGQVGVGSJP-UHFFFAOYSA-N 429.373 4.810 30 10 IJEE CC[C@H](N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338515715 GAWGKTHNOCRMPZ-YNJKOYDBSA-N 434.433 4.690 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339535184 KUDIKBMDZLKMQM-LJQANCHMSA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)NC1(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2339538999 ZYCBMPJKNKJNKZ-UHFFFAOYSA-N 443.397 4.976 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC(C)C)c(OC)c1 9601061 IXYWERFNIGZBCP-HXUWFJFHSA-N 429.900 4.592 30 10 IJEE COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3onc(C)c32)c1 28052623 DAKXMZMCUOTINR-MZNJEOGPSA-N 446.503 4.967 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1ccccc1)Cc1c(-c2ccccc2)noc1N1CCCC1 36156247 BDTNETPEFKLYLV-DEOSSOPVSA-N 447.579 4.508 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCOC)cc1 39827302 FHAYBFMIEIZDRY-HSZRJFAPSA-N 437.536 4.509 30 10 IJEE CNC(SCc1cc2c(cc1Cl)OCO2)=C(C(=O)c1ccco1)C(=O)c1ccco1 40570370 UEQOEDIZOLLLLB-UHFFFAOYSA-N 445.880 4.685 30 10 IJEE COc1ccc(-c2csc(N3N=C(C)/C(=N\Nc4ccccc4Cl)C3=O)n2)cc1 100341499 XKHJJDAXCTZTPM-HKOYGPOVSA-N 425.901 4.663 30 10 IJEE COc1cccc(/C=N/NS(=O)(=O)c2c(C)cc(C)cc2C)c1OCc1ccccc1 169904359 IVUZIMZAJWDDKQ-MFKUBSTISA-N 438.549 4.512 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2OC)c1 169946223 NWMDFRGOPZXVBB-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)c1 170047503 OPZLNAYWPPOCOG-JOCHJYFZSA-N 444.443 4.776 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccs2)cc1 170153931 WQELGUDPFSPWBQ-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccn1 170174670 AFHPTEMXYMIGGJ-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)cc1 170224987 ZRIIZKZXUVYQFR-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c1 170225575 ARMKPTKHKJUBFJ-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccco1 170295466 MGWXAGDMSHVILC-GOSISDBHSA-N 438.307 4.980 30 10 IJEE CCOC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(C)c2)cc1 170459651 DDKIIJZYWWXONP-XMMPIXPASA-N 435.520 4.616 30 10 IJEE COc1cc(/C=C2/S/C(=N/N=C/c3ccccc3C)N(Cc3ccco3)C2=O)ccc1O 210608339 GBIWMSSXTFTBTP-WYBIZYRISA-N 447.516 4.809 30 10 IJEE CC(=NOC/C=C\Cl)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 254846455 LRWILQKGFFGGOI-AYEWUBQTSA-N 443.308 4.715 30 10 IJEE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNS(=O)(=O)c2ccccc2)cc1 254849236 NCPMFMHBNMNICK-UHFFFAOYSA-N 444.512 4.680 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(C)(C)O1 442400003 GIKQTSDVLBEHKZ-FQEVSTJZSA-N 439.943 4.525 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 460945667 WMBYKAFDNGAETO-GOSISDBHSA-N 438.528 4.790 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cc1C#N 461273294 RRLVOWGWFBKUIJ-MRXNPFEDSA-N 437.487 4.787 30 10 IJEE COc1cc(I)c(Cl)cc1CN[C@@H](C)c1ccc(C#N)cc1F 482011606 YLBSWKVTKHNZFS-JTQLQIEISA-N 444.675 4.815 30 10 IJEE C=CCN(C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nc(C(=O)OCC)cs1 504091067 RMIWBOUAFOIHFP-UHFFFAOYSA-N 435.477 4.554 30 10 IJEE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)N(CCC#N)Cc1ccccn1 506969484 QYQGWKUZZSJURN-UHFFFAOYSA-N 434.521 4.935 30 10 IJEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1 508706814 QMTAABCLEOKKQZ-MRXNPFEDSA-N 438.494 4.591 30 10 IJEE CC(=O)Nc1cccc(NC(=O)[C@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 518995442 CTAPUPBUKHLGMC-KRWDZBQOSA-N 428.492 4.535 30 10 IJEE COc1ccc(C)cc1NC1=C(SCc2ccco2)C(=O)N(c2ccc(C#N)cc2)C1=O 526645940 XACNTCLYJYVMGM-UHFFFAOYSA-N 445.500 4.599 30 10 IJEE C[C@@H]1CCC[C@](C#N)(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)C1 532496856 WUZHPWRBWTWZIV-ZHRRBRCNSA-N 427.574 4.724 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 549669707 LELAVHJBCHACMF-YKSBVNFPSA-N 448.567 4.798 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 555253636 NWFXNHVECUYEAH-UHFFFAOYSA-N 430.552 4.575 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)NC3CCCCC3)C2)c1 585932568 IEBIDWKREGRDSE-QFIPXVFZSA-N 426.605 4.761 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)cc1OC 586226338 WXXBQVWNRSYUDK-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1I 692276610 IRMOONRVUKRPQB-XHDPSFHLSA-N 448.142 4.918 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1cccc(F)c1Br)C2 712798862 XWDSUYKXKVUOML-GJZGRUSLSA-N 426.326 4.878 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(C2CC2)C(=S)N[C@H]1c1ccc(O[C@@H](C)C#N)cc1 731433776 VCMWVVQGTSGYGF-FPTDNZKUSA-N 435.524 4.510 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C 733196863 JVDJSNIXOCWMAZ-QFIPXVFZSA-N 449.576 4.767 30 10 IJEE N#CCCn1cc(C(=O)NC(C2CCCC2)C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 735474335 JAUDCZWLZXDXAK-UHFFFAOYSA-N 435.528 4.851 30 10 IJEE Cc1ccc([C@@H](C)CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)cc1 737414665 RUHHBFJQUCLWSL-KKSFZXQISA-N 439.556 4.538 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1 744696146 WDWFQHGPUXZTQL-KRWDZBQOSA-N 435.455 4.590 30 10 IJEE COc1ccc(CNC(=O)N(Cc2cc(Br)ccc2F)C(C)C)cc1C#N 747435242 FGKDGUFRSHXITF-UHFFFAOYSA-N 434.309 4.589 30 10 IJEE C=C(C)CNC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(Cc2ccccc2)cc1 762444674 CWGFQNXOGWYSTR-UHFFFAOYSA-O 426.565 4.813 30 10 IJEE CC(=NNc1c(F)cc(F)cc1Br)c1ccc(-n2cncn2)cc1Cl 764698848 MUAGCFICARXBET-UHFFFAOYSA-N 426.652 4.798 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)CC/C(C)=C\Cc1c(O)c2c(c(C)c1OC)COC2=O 767179119 NEGXYCCQSTTYQP-WQRHYEAKSA-N 449.547 4.863 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1=S 794653868 BEEKKGWJBXLPIH-WBVHZDCISA-N 426.508 4.718 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)c1ccc(Br)cc1 1084512672 ZRVVTUJVFYSGTD-KGSLMKHMSA-N 442.342 4.653 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CCCN1C(=O)OC(C)(C)C 1125440755 TYRUXRPBLGGCIJ-NTKDMRAZSA-N 448.510 4.575 30 10 IJEE Cc1cc(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)nn1-c1cccc(C#N)c1 1127357755 BTEWCCPKQPWZAS-UHFFFAOYSA-N 440.478 4.956 30 10 IJEE C[C@@H](NC(=O)c1ccc(Br)cc1C#N)c1ccc(Br)cc1F 1129485215 DQSQJMHNNRROTQ-SECBINFHSA-N 426.083 4.713 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(OC)cc(OC)c2Cl)nnc1-c1ccco1 1129658925 UFVJVGMICPAZLJ-UHFFFAOYSA-N 448.932 4.516 30 10 IJEE C#C[C@H](NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1129723345 VBBPGNRYAXKHBR-QHCPKHFHSA-N 430.935 4.817 30 10 IJEE C=CCC1(NC(=O)CCC(=O)c2ccc(I)cc2)CCCCC1 1158110109 WQFULTNZEMKVRF-UHFFFAOYSA-N 425.310 4.649 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H](C)[C@H]3CCO)c2C#N)C1 1171833065 BWFINQTZNZZSIZ-MBOZVWFJSA-N 431.646 4.582 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)CCc2ccc3c(c2)OCO3)cc1OC 1177529653 SBOBZLLNDVCUJL-OAHLLOKOSA-N 448.357 4.862 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1180234061 AHBPDBDUNDIOSS-FQRUVTKNSA-N 444.575 4.954 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H](CC(=O)OCC)c2ccccc21 1180553695 CEQOQZUHOPHWBD-LJQANCHMSA-N 445.519 4.524 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCCC(=O)Nc1cc(F)ccc1C 1189024503 AVWVYJPLQQYAGW-UHFFFAOYSA-N 440.544 4.920 30 10 IJEE C#CCN(C(=O)Nc1cc(C(C)(C)C)ccc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 1197616555 LQUWGMLHQVUXDP-UHFFFAOYSA-N 443.588 4.859 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1197625019 KLCSDUGINJNGDX-OAQYLSRUSA-N 449.576 4.821 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)c1ccc(F)cc1 1199437780 QCWVMPNBKNKCAA-DEOSSOPVSA-N 441.506 4.844 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(CC=C)Cc1cc(Br)ccc1F 1201313905 DOVNTQZDFCGZER-UHFFFAOYSA-N 435.268 4.959 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)Cc2c(F)cccc2F)c1 1207997103 ACXGBHZDRYKVDZ-UHFFFAOYSA-N 444.455 4.669 30 10 IJEE C#CC1(F)CN(C(=O)N[C@@H](CC)c2ccccc2OCc2ccccc2Br)C1 1221978217 NKBVYDKNMMAHRV-IBGZPJMESA-N 445.332 4.846 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccnc1Oc1ccccc1OCCC)c1ccc(F)cc1 1224033584 SJPLMQLNITYBCM-OAQYLSRUSA-N 433.483 4.976 30 10 IJEE C=CCC1(CNC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCCC1 1228270203 MWYONMJUPBKYDD-HXUWFJFHSA-N 435.572 4.688 30 10 IJEE C#CCN(C(=O)NC[C@H](CC)CC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1230172726 RRNTZNUGHPNWHM-CZUORRHYSA-N 447.295 4.896 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C)[C@H]1CCOc2ccc(Br)cc21 1246754278 DCIVMHWYYJEDKK-BOSXTWCSSA-N 433.390 4.990 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1F 1252478590 DNQSPAIMYYFPGN-OALUTQOASA-N 440.824 4.955 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(-c2cccc(OC)c2)nn1C 1266824308 XDPQJFFNPQSDRZ-UHFFFAOYSA-N 431.414 4.932 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1oc(CC)nc1C 1286305296 LNTKCLBVQIRQKZ-CQSZACIVSA-N 429.977 4.589 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286317947 QQYGIJFCJVSNNJ-LEWJYISDSA-N 448.567 4.924 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(CC)(CC)OC 1286420381 DXXYFYVAYUGOOT-UHFFFAOYSA-N 438.641 4.944 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1nccs1 1286434480 LJDFDSKTFMEVBJ-IBGZPJMESA-N 435.622 4.602 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(COC)cc1 1286437563 JIEYHNXPOTWXEO-UHFFFAOYSA-N 434.609 4.930 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCc1csc(CC)n1 1286456080 MKUJNNYZGGGFCK-UHFFFAOYSA-N 437.588 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1ccco1 1286566001 FSZNPFMVYXCLSK-SBUREZEXSA-N 444.963 4.975 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(c2ccncc2)CC1 1286570617 CWDDHXIMDQFYIJ-UHFFFAOYSA-N 441.583 4.531 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286589790 DNYOPUYYANXPNO-OALUTQOASA-N 431.378 4.740 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1c1ccco1 1286593587 QCHAYXIIFVSNMS-IBGZPJMESA-N 441.576 4.903 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCSC2)CC1 1286653853 CDWVUASTCCSOHM-SFHVURJKSA-N 428.602 4.508 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCCCOC)cc2)CC1 1286656845 XRYHUIWSJUQQKG-UHFFFAOYSA-N 436.556 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1286666613 KIPYDTHQAWOYDE-NQIIRXRSSA-N 439.604 4.615 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2CCC[C@H]21)C(C)C 1286750610 DTIIMEJFRLNZTP-QPTUXGOLSA-N 434.632 4.726 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 1291992337 QRZAGSAGBAXWMS-FQEVSTJZSA-N 443.519 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)[C@H](C)CC 1300281725 LHAAESQDRNQYPE-SIXWZSSISA-N 433.394 4.535 30 10 IJEE C=C(Br)Cn1c(N2C[C@H](C)OC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1300861204 BUHXFYQNOYALLO-KRWDZBQOSA-N 445.405 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC(C)C)C(C)C 1300884909 MUDKYWXMEYLDBO-PMOQBDJRSA-N 440.588 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCO[C@@H]1CCCC[C@@H]1C 1300907598 LLSLDLIDYNMCHX-PZJWPPBQSA-N 440.588 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@](C)(O)c1cc(C)oc1C 1300925027 NGRAYVXEBYXWDZ-DEOSSOPVSA-N 442.535 4.516 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1ccco1 1300950744 NMNXUIMEAAYUEW-QGZVFWFLSA-N 429.565 4.759 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccoc1C 1300991127 KKIDINMUJLSJHS-UHFFFAOYSA-N 433.512 4.731 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CC1CCC(C(F)(F)F)CC1 1301414392 APFBGYOUCOYABN-UHFFFAOYSA-N 426.483 4.854 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)C[C@H]2CC=CCC2)cc1 1301526684 PXBAMXSOAGFJAD-QFIPXVFZSA-N 429.568 4.670 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(CCC)CC1 1301597433 QUXYYZGYYFZDMB-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(OC)CCCCC1 1305660862 ATMGYGSJNRXJCK-REWPJTCUSA-N 425.552 4.611 30 10 IJEE C#CCN(C(=O)NCc1cc(Br)cc(OC)c1)[C@@H]1CCCc2ccccc21 1313266785 HONUMQSGMABYCO-OAQYLSRUSA-N 427.342 4.680 30 10 IJEE COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2cc(C#N)c(SC)nc2O)cc1 1336915360 OJBIBODAEJZBTH-OAHLLOKOSA-N 433.533 4.890 30 10 IJEE C=CCc1ccc(OC(=O)CSc2nnc(-c3ccco3)n2CC(=C)C)c(OC)c1 1349157929 GZQXLAUMICOXHN-UHFFFAOYSA-N 425.510 4.549 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)c1nc(-c2ccccc2)cs1 1350509926 BEMLPQQWCDJTKH-INIZCTEOSA-N 439.487 4.660 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)Oc1ccccc1 1358877761 KFDDPMXHAYSBNV-GJZGRUSLSA-N 445.386 4.695 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1358928330 AANPDGHNJYVPLK-SFHVURJKSA-N 427.543 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)(C)CC1 1359102203 YFAVFRFXECZTSU-HTAPYJJXSA-N 430.543 4.755 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1359179864 JAZWEVAGSLPATE-XMMPIXPASA-N 429.008 4.866 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nncn1C 1359196532 KQENKQAPFUULOG-UHFFFAOYSA-N 439.633 4.635 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359283145 UYJYNUPTNXYNHX-QGZVFWFLSA-N 438.601 4.858 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2csc(CC)n2)C1 1359314770 HPFBEUPERWTULA-IBGZPJMESA-N 444.004 4.641 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3ccccc3n2-c2ccc(OC)cc2)c(OC)c1 1360418787 GKTGSRNOCRNSDD-UHFFFAOYSA-N 443.503 4.789 30 10 IJEE C=CCOc1ccccc1CNC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 1360571842 HKQMNZHEABCDNK-UUVDZOIZSA-N 428.573 4.587 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2c(c1)OC(F)(F)O2 1434996491 NEDGSECAJSUVFA-UHFFFAOYSA-N 428.204 4.738 30 10 IJEE C=CCN(C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1435899498 HUZYIPFVCIDABO-VWLOTQADSA-N 445.563 4.600 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 1436213969 OMNSYPYABXLBKT-FQEVSTJZSA-N 432.609 4.794 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 1441890976 LRVVMKQAJDHGIA-LJQANCHMSA-N 435.528 4.584 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1450274529 REYQNKDDJSSMEK-FHLIZLRMSA-N 437.378 4.569 30 10 IJEE C#CCN(C(=O)c1ccc(F)c(SC)c1)[C@@H]1CCOc2ccc(Br)cc21 1456451045 SMQPAMFTBNUTBW-QGZVFWFLSA-N 434.330 4.909 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NCc2ccnc(N3CCSCC3)c2)cc1 1461940806 FHLUWLPGUIWPQM-UHFFFAOYSA-N 446.601 4.588 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)cc1 1465094314 AJWMGDWTAJKTDX-OAQYLSRUSA-N 437.540 4.752 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(Cl)cc1F 1470667803 SQGUWOFJKYHLAQ-IRXDYDNUSA-N 432.845 4.544 30 10 IJEE C#C[C@@H]1CCCCN1CC(=O)Nc1sc(Cl)c(-c2ccccc2)c1C(=O)OCC 1473867961 BTKOHTBPETYCOU-MRXNPFEDSA-N 430.957 4.671 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC 1474892570 FKEKGEJJRLXGCA-UHFFFAOYSA-N 437.970 4.779 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C)c(OCc3cccc(Cl)c3)c2)c1 1476470349 OAKMJDJFPOXSKS-UHFFFAOYSA-N 447.922 4.969 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3C[C@H]4CC[C@@H]([C@H]3C)N4C(=O)OC(C)(C)C)cc21 1477134590 JFVIPMSIGKBKLE-LDTOTXGLSA-N 439.560 4.520 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1479507161 HTNKFGWUPHNVOI-KNOQFWTLSA-N 441.572 4.640 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(C#N)C1)OC 1494973744 DDJKSIOXBVCPPU-YBVWCTEOSA-N 445.995 4.798 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1500539267 AQRHBFDFWKAYKV-UNMCSNQZSA-N 447.631 4.743 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N1CCCC1)C(C)C 1501549825 BAXZOGRCAWLQMS-OAQYLSRUSA-N 434.613 4.950 30 10 IJEE COC1(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H](C)CC#N)CCC1 1504039175 HIFFBBJKNCIGCZ-DLBZAZTESA-N 431.968 4.769 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cscn1 1507557435 QMRHMSYHVGRIBH-INIZCTEOSA-N 429.977 4.968 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(COCC(F)(F)F)cc1 1507691961 LCHHYSGSHNWOJI-UHFFFAOYSA-N 448.514 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Cc1ccc(OC)cc1 1507761357 FTLTUYNCLUWKCG-AVRWGWEMSA-N 449.986 4.873 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1507787108 FFOVXCJCQFMICQ-UHFFFAOYSA-N 446.151 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(CC)(CC)SC 1507816281 LOXDHWUOQSOKKR-UHFFFAOYSA-N 440.617 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC[C@@H](OC)C(F)(F)F 1507826737 ZSJIQYHXDVPSTP-LJQANCHMSA-N 435.494 4.720 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C(CC)CC)N(C)C)CC1 1507892046 JCGWJXCBXSHSMT-YPAWHYETSA-N 431.669 4.720 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1507905190 RUFORYIVLNDXRM-UHFFFAOYSA-N 434.510 4.549 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCN(CC)C1 1507974490 XSBKSHGFRPJBIM-KRWDZBQOSA-N 425.577 4.777 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1507990492 POXHTSMISIFJFX-UHFFFAOYSA-N 433.556 4.729 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)C(C)C 1508010753 DLEOJULMOXPCKV-PKTZIBPZSA-N 444.023 4.516 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)NC(C)C 1508014534 ANWAGJQJIHHUGK-UHFFFAOYSA-N 429.977 4.516 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1515660884 HYSQFXQTDNLJIJ-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE CN(Cc1ccc(Br)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC1(C)C 1517108827 AJGCWLDQQHFSLY-MRXNPFEDSA-N 440.345 4.855 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CC(C)(C)c1ccccn1 1517123516 CZUWDYGSIXKNCK-UHFFFAOYSA-N 428.584 4.892 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1520000563 BRMJJCAGHIHETD-AREMUKBSSA-N 432.520 4.649 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)c1ccccc1 1520010451 AOSGVUGPIKGTEY-WIYYLYMNSA-N 441.369 4.934 30 10 IJEE C=CCC[C@H](NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21)c1ccc(C(F)(F)F)cc1 1520112329 DURWKHAKGGUWOA-YJBOKZPZSA-N 432.442 4.643 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 1521832235 IYFAQEKMRSOSQH-UHFFFAOYSA-N 434.496 4.630 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 1521898507 TTZOTBHVBAKWTK-BGYRXZFFSA-N 437.536 4.777 30 10 IJEE N#Cc1cccc(OCC(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)c1 1522097215 HNGDDSJFMPLYSU-UHFFFAOYSA-N 428.473 4.887 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)Oc2ccccc2F)c(C(=O)OCC)c1C 1524508711 LAOBICAKSLTDAI-HNNXBMFYSA-N 449.500 4.511 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1 1525055259 ZZWHCMBGPGASJA-MRXNPFEDSA-N 442.294 4.585 30 10 IJEE CCCn1c(=O)n(CCC(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)c2ccccc21 1527162897 BYEBQAHOOJATLY-HOTGVXAUSA-N 436.581 4.861 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC 1529953728 RDSZRXWQUNWHMN-JYAZYPBOSA-N 434.580 4.785 30 10 IJEE C[C@@H](OC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)c1cccc(C#N)c1 1534856793 FYKZOOVRGZEADF-OAHLLOKOSA-N 425.485 4.579 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3Nc3c(F)cccc3F)cc2C1=O 1535109062 CIQPWPYFOBJXOT-UHFFFAOYSA-N 433.414 4.743 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1cnn(C)c1 1538971474 BDKCRRKCTRXLDT-OAHLLOKOSA-N 438.988 4.637 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1CC 1539065973 OAVCLSXWUQVYTG-NJYVYQBISA-N 443.636 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[C@H]1C[C@H](F)C1 1539548314 LAGDPPKBGHMMPH-RQBNJVACSA-N 440.563 4.871 30 10 IJEE C#C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(C)C 1539776807 MWRGVISBMSCNMF-NRFANRHFSA-N 436.353 4.618 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(OCCC(C)C)CC1 1539816543 BINMCWXANGIEQP-UHFFFAOYSA-N 432.996 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1539912454 JQJXSIXPAXKOKY-IBGZPJMESA-N 447.505 4.807 30 10 IJEE C=CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)CC)c1ccccc1 1539938863 CLAYDYWYYDFMOJ-QUCCMNQESA-N 435.572 4.848 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(SC)CCC1 1540087461 YLVZUFSQQFTZHH-UHFFFAOYSA-N 437.407 4.528 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1540700196 HMIVGGIYMCUDRT-UHFFFAOYSA-N 439.581 4.965 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C(F)(F)F)C1 1540895173 MONDIRNJQXDESP-LJQANCHMSA-N 434.506 4.859 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 1540915343 JZLZIBNWNRACAQ-LJQANCHMSA-N 449.665 4.692 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCNc1ncc(Cl)cc1Cl 1542530666 QYKCLBAEPDNITO-UHFFFAOYSA-N 434.245 4.814 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(c2cccc(Cl)c2)CCCCC1 1543887721 FJIBXDALPNOQAS-UHFFFAOYSA-N 449.986 4.822 30 10 IJEE C=C(CCN(C)C)C(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1546069539 OXBWTEOPFSZMDI-CYBMUJFWSA-N 436.318 4.952 30 10 IJEE C=CCC1(CNC(=O)c2ccc3c(=O)n(-c4ccccc4F)c(S)nc3c2)CCCC1 1556586992 NZAWPQOVBXHZCG-UHFFFAOYSA-N 437.540 4.680 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C)c(C(=O)c3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 1558014172 HUAZTEFYYFSCME-UHFFFAOYSA-N 434.536 4.978 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc(OC)c1OC 1563815203 ZDTNGFALVHAKRK-IBGZPJMESA-N 433.552 4.579 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)c1ccccc1 1566494557 NYKLBQWKRZAWEO-XMMPIXPASA-N 432.545 4.599 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)cc21 1585546058 DJHJAMUGELCMSS-KDURUIRLSA-N 446.551 4.643 30 10 IJEE C=CCC1(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)CCOCC1 1585719642 NYBILIACUXFRAF-UHFFFAOYSA-N 429.567 4.740 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCSCC(C)C 1587586328 MSNQCQOBNIWKBC-MRXNPFEDSA-N 435.435 4.863 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](CCOC)C1 1587718633 LAOQUVYLITUGCB-LJQANCHMSA-N 426.630 4.942 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1587719330 ZQIUWTXSDRMUQM-WOJBJXKFSA-N 439.673 4.998 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1587809103 ZGEBQHIANCEFQI-LKUPVBHCSA-N 445.007 4.963 30 10 IJEE C=C(C)CCNC(=O)[C@H](CCSC)NC(=O)OCC1c2ccccc2-c2ccccc21 1587882144 YQIDRUXJRWZYET-QHCPKHFHSA-N 438.593 4.729 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C(C)C)cs1 1588016075 JLDQEKCSFNNMAG-UHFFFAOYSA-N 437.613 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC1CCN(CCC)CC1 1589177225 HGEIHUJUEMWEIB-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC=CCO1 1589614678 BNDAFGRLDFQVIC-MRXNPFEDSA-N 435.341 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCCCC1 1589687697 KZMLOXBYGFLLMJ-UHFFFAOYSA-N 432.012 4.789 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCCN1C1CC1 1589687938 UKVKOXAHVPLJMK-QHCPKHFHSA-N 437.632 4.893 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1594492071 RYTXUAFMOHJTLM-DYESRHJHSA-N 444.542 4.652 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1594528728 MRHFWXGIARSRLY-WOJBJXKFSA-N 440.588 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccncc1Cl 1594907215 QOERGFDARCSJMR-UHFFFAOYSA-N 435.915 4.836 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](OC)C(C)C)C1CC1 1595037413 CWTNHQJSAHVPKT-IBGZPJMESA-N 449.393 4.542 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1595037468 GDTNKNGCBQGBIK-INIZCTEOSA-N 448.398 4.665 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCSCC(C)C)C1CC1 1595070814 NJNWZIJDRJCERL-IBGZPJMESA-N 449.665 4.894 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@@H](C)C1 1595119822 GKMGCPQEFLIMIK-JTHBVZDNSA-N 431.584 4.662 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCC2(C)C)C1 1595729427 MGPKWJIHDHIGFL-ROUUACIJSA-N 430.543 4.755 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2ccccc2F)C1 1595737950 JNBPMYFEHPHHCM-FQEVSTJZSA-N 426.580 4.909 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C)(COC)CC1 1595860376 NABKVJIXIGXLEV-UHFFFAOYSA-N 437.613 4.665 30 10 IJEE Cc1ccccc1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 1612304701 DYMBCRPLJAPSPW-UHFFFAOYSA-N 442.386 4.866 30 10 IJEE C=CCn1c(SCc2cc(Br)cnc2OC)nnc1-c1ccccc1C 1613593592 INIAKTPBMUNSJJ-UHFFFAOYSA-N 431.359 4.898 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@H](N(C)C)CC3)c2C#N)C1 1617197814 DLHFOFCUOQHFDM-MSOLQXFVSA-N 430.662 4.515 30 10 IJEE CN(CC[C@@H]1CCCCN1Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C 1620686536 LQGGANRWKQERTH-IBGZPJMESA-N 436.394 4.932 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1)c1ccccc1 1622834095 VJNJBTGICYZVOP-OPYAIIAOSA-N 428.602 4.971 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C 1635108801 APYTYGBMOGHXBF-UHFFFAOYSA-N 429.442 4.964 30 10 IJEE C=CC[C@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2OC)CCCC3)C1 1643960994 RWHNEKSSNJYTEV-KRWDZBQOSA-N 438.593 4.703 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(SC(F)(F)F)c2)c1 1645730263 TUVXKEGVQWNNTL-CQSZACIVSA-N 441.496 4.587 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccccc1 1648461260 FMIZBOBGIDUYQT-XRHLQHRESA-N 446.370 4.522 30 10 IJEE C=CC[C@@H](Sc1nc2ccccc2c(=O)n1-c1cc(C)c(Cl)cc1OC)C(=O)OC 1651535994 ICGUQTIILADLOS-LJQANCHMSA-N 444.940 4.566 30 10 IJEE C=CCn1c(SC2CCN(C(=O)OC(C)(C)C)CC2)nc2sc(C)c(C)c2c1=O 1651629458 PUAXRGOVCMWHCA-UHFFFAOYSA-N 435.615 4.752 30 10 IJEE C=C(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1654584316 NLLAZCDRQMXVIX-UHFFFAOYSA-N 427.353 4.799 30 10 IJEE C=CCn1c(SCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc2ccccc2c1=O 1656040156 PJXPQJJROZOLRC-KRWDZBQOSA-N 429.586 4.712 30 10 IJEE C#CC(C)(C)N(C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 1658236596 LJPJJTHHKZRJMO-UHFFFAOYSA-N 444.000 4.815 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCSCC2)cc1C)c1ccc(Br)cc1 1658759185 VJCYDLYPMBPNKP-IBGZPJMESA-N 444.398 4.807 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(Cc1ccccc1)Cc1ccccc1 1661053190 CQLQOIUVKCMWIU-UHFFFAOYSA-N 444.478 4.709 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC 1662574116 WDNUFZKPCBVLCV-MORSLUCNSA-N 425.367 4.975 30 10 IJEE Cc1cc(C#N)cc(NC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 1662642394 GTCNAQPXDHIARV-XMMPIXPASA-N 447.560 4.798 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C)c(Br)cc1F 1666357899 XVZMNQTXTVUXBE-LJQANCHMSA-N 436.346 4.598 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1 1667572161 WREZTJUVWIUFDZ-JOCHJYFZSA-N 441.597 4.999 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C[C@H](C)O)c1ccccc1 1672209411 CZNDGWMDYMVTHT-RDJZCZTQSA-N 433.346 4.690 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C 1676658653 KQOBNGMLKPAXKA-OAQYLSRUSA-N 426.467 4.507 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 1679334443 LKAUAXSJGVATJQ-FCHUYYIVSA-N 442.604 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1CCC 1680699204 BLRLDHNQJYTUME-QMMLZNLJSA-N 439.522 4.687 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 1680738739 PPLFOHJPWABPGW-BZDYGPBWSA-N 435.971 4.964 30 10 IJEE C#C[C@@H](CCC)NC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1681087000 DBXZMSLQMXVDPI-SFHVURJKSA-N 445.357 4.638 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC 1683199096 OSWGGKAHLYUKOI-QFIPXVFZSA-N 431.502 4.933 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCc2c(F)cc(Br)cc2C1 1683258725 FKAHPLSCQZMQLG-FQEVSTJZSA-N 428.305 4.605 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN2CCCCC2)C1 1689881564 UTESZZDRSCTJHO-IBGZPJMESA-N 443.998 4.853 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1689892442 GAUAKURKJFTRFQ-UHFFFAOYSA-N 439.560 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)CCC 1690065078 KGOKJDVNLUWERK-HSZRJFAPSA-N 426.561 4.823 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1scnc1C 1690306087 ONPLBBTZCLFXNK-UHFFFAOYSA-N 447.992 4.601 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C)cc2OCCOC)CC1 1690404832 UFRVPJDVYHHRMX-UHFFFAOYSA-N 436.556 4.631 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690406836 VEJQPMXFGDQZJL-NHCUHLMSSA-N 437.632 4.724 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(Br)c1 1690487683 BJAODPXDSIQMGL-UHFFFAOYSA-N 446.418 4.999 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2csc(CC)n2)C1 1690685624 ATZWIRACHQOYDZ-SFTDATJTSA-N 437.613 4.669 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1705477482 OOTAGBMYSHXKIY-GBWYYYKWSA-N 441.595 4.526 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCC2(C)C)c1 1705505355 MNULIYFKWZCNNI-FQEVSTJZSA-N 445.567 4.729 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc([C@@H](C)O)cc1 1705607267 XMINQLXCJJQIQQ-QZTJIDSGSA-N 434.609 4.693 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705726291 CUVXKFSWQWGNCO-IBGZPJMESA-N 437.613 4.857 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705737244 MQWLYJVAIWURRU-JOCHJYFZSA-N 431.669 4.552 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1Cc2ccccc2C1 1705801966 XKTQFDPUWAJURD-UHFFFAOYSA-N 440.389 4.996 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705807769 NMKXEOYNEATOFY-FQEVSTJZSA-N 438.551 4.515 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCSC2)C1 1705824232 JUXBMWDCEWXOPN-FDDCHVKYSA-N 447.649 4.650 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1705838796 BPHWLZOLWUWTRJ-UHFFFAOYSA-N 448.571 4.515 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C[C@@H](C)O1 1709327663 FXRUCAUHTIMRLO-OXQOHEQNSA-N 429.515 4.646 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccs2)CC1 1722327701 SNVKGZCIFOPXEU-UHFFFAOYSA-N 429.952 4.539 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1ncc(C)s1 1722373751 QDZCFENRUYEWDS-WIYYLYMNSA-N 447.608 4.676 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2C)CCOCC1 1722408105 ZMZMHDOHLYWUQE-UHFFFAOYSA-N 449.986 4.510 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@H]1CCO[C@H](C)C1 1722466712 CXCNKERRBIGBBI-GFTAFNIFSA-N 440.563 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@@H]1CCCOC1 1722493223 XHJPABWSXIIEAZ-IGABQKFOSA-N 438.616 4.664 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCCO1 1722498278 URRAZFQKAMDCDB-CLJLJLNGSA-N 436.600 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1csc(C)n1 1722507104 XTHMMPOVJFERTJ-UHFFFAOYSA-N 433.585 4.745 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(Cl)cc2C1 1722593746 ZWVSSZSCKNHNCL-RXVVDRJESA-N 445.007 4.821 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 1722596254 GDBLMKNSFVLLOX-BXXSPATCSA-N 438.616 4.782 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722600727 RUQQKFHWMFLWJY-NRFANRHFSA-N 425.483 4.553 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1csc(Br)c1 1722603998 RSTTTZKGLSVQIO-HNNXBMFYSA-N 425.396 4.599 30 10 IJEE C=CCCCCn1c(N2CCCc3sccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1722610196 LZCWBBIJAZBDIQ-QHCPKHFHSA-N 430.618 4.689 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1nc(C(F)(F)F)cs1 1722676247 VYTCJZMBOFXBSD-UHFFFAOYSA-N 448.474 4.625 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCCC1(F)F 1740658654 OZIMFSMSGSTYTA-NRFANRHFSA-N 440.538 4.762 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCSC(C)C 1740681982 HIMGBTVOTXIIBD-UHFFFAOYSA-N 432.659 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N1CCC[C@H](C)C1 1740775284 UGOTWRCPAWPUIF-OALUTQOASA-N 431.575 4.670 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1740793059 OIWZUFPKBDHUBK-QHCPKHFHSA-N 444.595 4.549 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2Cc2nc(C(C)(C)C)cs2)CC1 1740828614 QYTYTXOAYNONMS-UHFFFAOYSA-N 437.613 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740850454 GWIPIQBHNJGSRR-QZTJIDSGSA-N 431.575 4.668 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1740879359 GNHGKGHJJZXHMA-HXUWFJFHSA-N 433.581 4.968 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1CC1(C)CCC1 1740916686 UWSJRPNFNXUOQB-UHFFFAOYSA-N 432.597 4.888 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1Cc1nnc(C(C)(C)C)s1 1740920002 ZSGVTSUPUDVPCN-UHFFFAOYSA-N 428.581 4.931 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C)=C(C)C1)C(C)C 1740926403 GKFZSYASBUUXNN-GOTSBHOMSA-N 427.637 4.765 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1748773264 VLKLKFNWTDGXKE-GJYPPUQNSA-N 438.469 4.995 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H]1CCO[C@@H](C)C1 1748916853 GIJFFSYFECTVSP-JKSUJKDBSA-N 449.368 4.511 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 1749026816 QPLXSIOSVGKVRJ-LJQANCHMSA-N 442.629 4.734 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1749103927 HJQJQFMTACQLJJ-UHFFFAOYSA-N 432.410 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1749120038 ZPQOCLBGMOWXLV-SGNDLWITSA-N 438.616 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1noc(CC)n1 1749146986 UXTPRXZVELUADN-MRXNPFEDSA-N 440.617 4.722 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1749218411 OBDZSPJWQPVFCJ-HDICACEKSA-N 445.405 4.701 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCSC(CC)(CC)C1 1749231516 TYVSLPWHWIEUMN-UHFFFAOYSA-N 428.646 4.882 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1749312147 CFNLNQCBRNOKKY-QHCPKHFHSA-N 437.632 4.690 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C)C2CCCCC2)CC1 1749343308 GINQDTHDGKIAHC-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nc(C(C)(C)C)cs1 1749461934 MFHGICATGSSKSH-UHFFFAOYSA-N 438.601 4.572 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(O)CCC(C)C 1749474567 ZFEOPVOHKLEIPC-FQEVSTJZSA-N 439.373 4.656 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1749557368 HWMFIXHVPXDKML-PKTZIBPZSA-N 436.648 4.911 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C)C2(CCC2)C1)C(C)C 1749557882 NQOVLZLQOPGTPT-YTFSRNRJSA-N 441.664 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(F)cc2)n1Cc1cccc(C(F)(F)F)n1 1749582644 NFIVNJAYGIUHTC-UHFFFAOYSA-N 447.436 4.637 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749621484 BQFSOKIXYVLGDC-KRWDZBQOSA-N 433.394 4.986 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)C1 1752089031 BFJBBEVVHPDLCQ-OFNKIYASSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1760154894 LLFXTMPIGVWIID-YOFSQIOKSA-N 443.636 4.647 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@H](C)Cc1cccs1 1760223888 PNEIYNHFBQOTAQ-OAQYLSRUSA-N 432.593 4.569 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1c(C)noc1C 1760225799 YONCZBWLBUAFKE-DYESRHJHSA-N 435.572 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H](C)SC 1760288571 GNOVSTVVDCNBNN-IEGUWTFLSA-N 428.602 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC(C)(C)SC 1760293399 VASKDJXLAUCCET-HXUWFJFHSA-N 433.419 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(CC)C1 1760330232 WEMGAWCEWOUOCD-FGZHOGPDSA-N 425.621 4.779 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1760378167 AQOLMFMSMLQVHL-RTWAWAEBSA-N 445.007 4.869 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C1CCC1 1760380540 GOOZMUAMAAJCRB-ROUUACIJSA-N 436.000 4.872 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)COC)CC1 1760385094 MAHCOROLFMCILU-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCOC[C@H]2C)CC1 1760386474 ZSXCFCSYMOGWAB-IAGOWNOFSA-N 431.378 4.537 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760425912 ZEQDIDZZOZNBSF-AWEZNQCLSA-N 429.512 4.988 30 10 IJEE O=C(C[C@H]1SC(=NN=Cc2ccc(-c3cccc(Cl)c3)o2)NC1=O)c1ccccc1 1772741753 AWKCFNFKOMBTSF-HXUWFJFHSA-N 437.908 4.795 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1F 1862411546 KFGUCRSUNMCXLE-NRFANRHFSA-N 447.453 4.889 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)c1 1862419114 OTHLTCNXBOZMKZ-NRFANRHFSA-N 439.414 4.735 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 1862473873 HVYHUMIEKWEPII-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862509025 VOXDENGJLOWBOE-HXUWFJFHSA-N 442.443 4.516 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Br)cc1 1862599109 BWAJKOKHXVTGFY-SFHVURJKSA-N 430.298 4.533 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 1862626060 SXHRCURXXZGMQI-NRFANRHFSA-N 425.456 4.713 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(C)c2)cc1 1862687507 LSPFIAKGKNORBL-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CC2)cc1 1862742932 JCZUSZSIVZFDLO-NRFANRHFSA-N 436.464 4.514 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863446177 UNHKAEQMBWKVSK-UHFFFAOYSA-N 437.927 4.610 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(CCCCc2ccccc2)C1=O 1863486166 XFIANAGFLLISFG-UHFFFAOYSA-N 427.529 4.835 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H](C)O)=C(c2ccc(OCCC)cc2)C1=O 1863683142 ANXTVLWOTZTWIX-HXUWFJFHSA-N 444.616 4.666 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1c[nH]c2ccccc12 1864548602 QZMAPZCTCAXVAL-JOCHJYFZSA-N 449.599 4.864 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 1866289861 OWQGSINFUPMWAR-UHFFFAOYSA-N 438.418 4.610 30 10 IJEE CC[C@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867013745 QHBAJDDGCYRXCO-BVAGGSTKSA-N 433.552 4.764 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(Cc3ccccc3)CC2)nc(Cc2ccccc2)n1 1867945428 QKUVSKHYBZHNDL-UHFFFAOYSA-N 439.607 4.568 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CSc1ccccc1 1870200414 NGOGUUQIWVNFPM-UHFFFAOYSA-N 440.952 4.998 30 10 IJEE C#CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CSC(C)C)cc1=O 1870300849 YGNPDVNEMMWEGN-UHFFFAOYSA-N 429.582 4.542 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN2CCN(C)CC2)cc1=O 1870408870 BVUDOJJOCSTRJI-UHFFFAOYSA-N 446.035 4.647 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1ccc(C)cc1C 1871173969 ZZXNKNXPSSGDBY-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1ccc(C)c(C)c1 1871198395 SWTFCAMKADJBQT-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3C2=O)o1 1871374215 YCPGLTSRMHMGDJ-GRSHGNNSSA-N 425.780 4.985 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3C2=O)o1 1871384103 QCPLFMVZAZFCFL-GRSHGNNSSA-N 425.780 4.985 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCCCC)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872175824 WXNDHRJZMLPTAN-SIKLNZKXSA-N 438.634 4.837 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872425650 WGFKMUAKMNRTGF-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE CCc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 1872761202 IHMZNVANJBHMCA-QGZVFWFLSA-N 436.449 4.987 30 10 IJEE Cc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873294629 STOZOIGOTSYVOJ-UHFFFAOYSA-N 446.510 4.783 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NC[C@@H]3CCCO3)ncnc21 1873612109 GQNDYOCQRXSCKT-IBGZPJMESA-N 433.556 4.758 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2)cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21 1873631477 DFXJACHGAHEBIX-NRFANRHFSA-N 447.926 4.669 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc2c(c1)OCCO2 1874232103 PIGBAGTWARYSHM-YZSQISJMSA-N 444.560 4.982 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)OC)cc1 1874279751 QXQWGALPTQZFDX-BUVRLJJBSA-N 440.956 4.664 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccccn1 1874290916 HGEHGPTXYNUMHY-VULFUBBASA-N 449.511 4.574 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(N(C)C)cc1 1874310048 BRDDONLNPGZEGY-PCLIKHOPSA-N 435.597 4.688 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874323364 LVVGBGXGGCFATG-FSJBWODESA-N 437.525 4.933 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccco2)cc1 1874370583 HVKMHHVYXDTLFF-FYJGNVAPSA-N 439.522 4.801 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2[C@H]2CCCO2)cc1 1874442975 PKEFAJWSVZSLIR-JAMLUQCHSA-N 449.580 4.613 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 1874466368 ZEXPNZLRKMQSDI-LPYMAVHISA-N 435.465 4.629 30 10 IJEE CCCOc1cccc(/C=N/n2c(C)nnc2SCC(=O)Nc2cccc(C)c2C)c1 1874528568 QHNSSIMVQMFQBE-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br 1875120610 AWNQWVNLGLMGOW-QHHAFSJGSA-N 425.225 4.565 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(COC)CCN(C(=O)OC(C)(C)C)CC1 1922104212 QIOHTMBPNALZDW-HSZRJFAPSA-N 446.632 4.791 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CC3)c1 1925711641 YBBUPRFOWNPXGR-XMMPIXPASA-N 443.544 4.872 30 10 IJEE CCC1CCC(C#N)(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1984693904 DPNIFPAULFDVJD-BDNFLSAOSA-N 445.563 4.892 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2020326648 LENLAYDWBIYCHK-VQTJNVASSA-N 437.625 4.615 30 10 IJEE C#CC[C@@H](C)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2076088227 NBVGUQWZKVGFPN-ISKFKSNPSA-N 441.660 4.964 30 10 IJEE CC1([C@@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C(=O)O)c2N)CC1 2080047952 LQYKMYUTEZRLJA-GFCCVEGCSA-N 425.304 4.730 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NC 2110503750 MSVDMIUCIUYAJH-LSDHHAIUSA-N 447.776 4.679 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2118193538 BKZVMTHYIJJVHN-KBPBESRZSA-N 426.330 4.589 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(OC)c1 2136322460 DLDWHVIUUMFONH-QZTJIDSGSA-N 427.383 4.968 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)CCCc3ccc(Br)s3)C2)OC1(C)C 2154439464 INHQNSMAHMEHDC-AWEZNQCLSA-N 442.228 4.918 30 10 IJEE N#C[C@]1(Nc2ccccc2Br)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156278376 MGXFOYCBUNLALX-FCHUYYIVSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)NCC1CC2(C1)CC(Nc1cc(Br)c(C#N)cc1F)C2 2164525166 SXVXYWBNDZAKCE-UHFFFAOYSA-N 438.341 4.955 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1C#N 2174558727 CSCIGEXDWALXJI-BWTSREIZSA-N 434.378 4.683 30 10 IJEE CN[C@H](C#Cc1ccc(Cl)cc1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216913869 PDXBCECAJPKJAQ-DHIUTWEWSA-N 442.987 4.780 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)s1 2227461585 DEWPRHJNKHMRLS-QGZVFWFLSA-N 435.387 4.848 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C1(C)CC(NC(=O)OC(C)(C)C)C1 2235721331 DHLNFLVVBBDMPZ-IMYXXEESSA-N 435.406 4.862 30 10 IJEE CCC[C@]1([C@H](N)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235730353 OJYYTWAMSHDCOZ-KNQAVFIVSA-N 435.406 4.945 30 10 IJEE N#Cc1ccc([N+](=O)[O-])cc1Nc1ccc(Br)c(I)c1 2237601530 GGCQCJLYOGRHAA-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2261827285 GLZCAHHYYUYWOI-VWLOTQADSA-N 447.572 4.799 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267207315 QNIBVVADCJHVHX-QGZVFWFLSA-N 443.343 4.951 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)c(F)c2)OC1(C)C 2267419304 OWMCKRWSYLBYEP-UHFFFAOYSA-N 435.304 4.561 30 10 IJEE C=CCN(C[C@H](N)c1cc(Br)cc(OC(F)(F)F)c1)C(=O)OC(C)(C)C 2273014525 YLRMXLRQIAHRRK-AWEZNQCLSA-N 439.272 4.771 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)c1ccc(I)c(Cl)c1 2278731993 DFXHLHPBJRAXJM-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(Br)cnc2C#N)C[C@@H]2CCCC[C@@H]21 2279684651 NLEGIUHFLDRHIA-LXZKKBNFSA-N 436.350 4.663 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296222359 RCWJMAJYFUBCQG-DKZVUGQWSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 2296272121 IHOUELMLTYJLHN-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2296274186 SLFWAYMQQNAFPJ-JXFKEZNVSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@@H](N)C#Cc1cccc(Br)c1 2296285002 XEUHQPZUQMDDKH-FQEVSTJZSA-N 435.406 4.945 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296301724 YGWOAFBMFHRLAR-HOJAQTOUSA-N 435.406 4.862 30 10 IJEE COc1cc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)ccc1O 2296923834 BBBBPCXWSLZGFE-VWLOTQADSA-N 441.483 4.892 30 10 IJEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1ccc(OC)c(OC)c1OC)C2=O 2297471348 LHFNCSLVYWJRMH-UHFFFAOYSA-N 441.524 4.656 30 10 IJEE N#Cc1ccccc1NC(=O)C1CCN(C(=O)C=Cc2ccc(Cl)cc2Cl)CC1 2318784187 GJMMCUWDKCDWPV-UHFFFAOYSA-N 428.319 4.756 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2322799274 OHPCCTNAACAVDG-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)c(OC)c1 2322904190 TXUGBYWTRFYCKL-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)NCc1ccccc1 2323087056 BXKQQKRWAWJQJC-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323573747 PPZOMACUHIQQEL-OAQYLSRUSA-N 430.589 4.623 30 10 IJEE COc1ccc(CCc2nnc(SC)n2N=Cc2cccc3ccccc23)cc1OC 2326159161 UDUYKGAEBPDBHZ-UHFFFAOYSA-N 432.549 4.838 30 10 IJEE CCOc1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SC)cc1OC 2327915503 RPQJPJATUFIYNL-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE COC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2328074074 IMQPDDYZKCEAHB-UHFFFAOYSA-N 449.363 4.517 30 10 IJEE CCCOc1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 2328082164 LRQNDWIMESVRFR-IFMALSPDSA-N 441.959 4.653 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2N=Cc2ccccc2)c1 2329030526 GDMIDMIQLYYARL-NRFANRHFSA-N 447.608 4.794 30 10 IJEE CC(=NO)c1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 2329947152 YMLBJXWVRWPPGD-GOSISDBHSA-N 433.464 4.794 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2-c2ccccc2)c1 2330692602 QWHZTQRGELOIKC-UHFFFAOYSA-N 438.553 4.517 30 10 IJEE C[C@H](NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1)c1ccccc1 2330879251 IHIOIXLOHSBXFI-SFHVURJKSA-N 435.597 4.718 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2F)c1C 2331431435 DYYRQQRIKYKXII-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1cccs1 2331450512 RSLVZUSCFSOVJN-UHFFFAOYSA-N 427.599 4.768 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CCC2)cc(OC)c1O 2331498172 PLTVQCMOVNKRMC-UHFFFAOYSA-N 438.553 4.751 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331571212 DRBSCLRQZJLBAE-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1 2337020405 PDMYFSKUWFHJOI-QFIPXVFZSA-N 435.421 4.544 30 10 IJEE CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339537848 RHRIIWLSBRRWRE-BUHFOSPRSA-N 430.361 4.607 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339602021 FDHZKVJTPCESCA-SWDTZWKESA-N 443.397 4.610 30 10 IJEE CN(Cc1ccc(I)c(Br)c1)c1cccc(C#N)c1 2349790824 KZJAOGXEKAPSDU-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE Cc1ccc(NC(=O)c2cccn2Cc2ccccc2)c(F)c1B1OC(C)(C)C(C)(C)O1 2352965448 QFBMYICVJVNXBN-UHFFFAOYSA-N 434.320 4.535 30 10 IJEE N#Cc1cc(COCc2cc(I)ccc2Br)ccc1F 2367286564 XWDVYJZRGBOPQK-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE CC1(C)OB(c2ccc(CSc3ccc(N)cc3Br)c(F)c2)OC1(C)C 2369071764 UPAZWQRQHNGOKK-UHFFFAOYSA-N 438.171 4.762 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3c(OC)cccc3OC)c2C)C1=O 41289869 RNAQEWOJIVWMQI-HMAPJEAMSA-N 446.455 4.856 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(Cc2ccc(F)cc2)CO1 41659355 FEQBECHPYDGMKL-JJFYIABZSA-N 432.407 4.702 30 10 IJEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)c1 66437600 LLSICIDIEHUXDS-UHFFFAOYSA-N 430.483 4.756 30 10 IJEE biogenic CCOC(=O)[C@@H]1CCCN(c2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)C1 96454600 MEUVUWATUXIWBP-QGZVFWFLSA-N 438.597 4.814 30 10 IJEE CC(C)c1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 102542986 QQEIPOQGYBWRJJ-UGUGFTGJSA-N 429.520 4.519 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 169928094 GGSGERFQJPATOF-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1 169987636 WXFFUVRMLCFKLB-LJQANCHMSA-N 427.428 4.818 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170027798 BXCZOMYLEPZZJV-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)c(C)c1 170059313 XXKQDSKJKNPOFD-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)cc1 170084086 KXFVKUZIEYLPCA-XMMPIXPASA-N 438.483 4.970 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2CCN(C)C)c1 170146567 HOYGZDQQZMLJFF-OAQYLSRUSA-N 438.911 4.535 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(C)c2)cc1 170148225 YUDUMRGPYPWBCC-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1cccs1 170164930 LAXDUMHRHYQBFP-GOSISDBHSA-N 435.929 4.797 30 10 IJEE COc1ccc(N2CC(=O)C(c3nc(-c4ccc(C)c(C)c4)cs3)=C2N)cc1Cl 170180256 LMFMKNJWQOTZGZ-UHFFFAOYSA-N 425.941 4.806 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 170221450 DBGKXBAJLGYNSY-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1ccccc1F 170253306 MFHJXGJPLZTKIS-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1C 170258255 DJNFRXSISDYGKE-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2C)c1 170271484 JJSBHGOZYMTFFF-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)c1 170281894 ZKPBDRADIZTESL-HXUWFJFHSA-N 425.387 4.739 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)ccc1Cl 170306922 IIODCSSCQBQKBI-IBGZPJMESA-N 427.840 4.622 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCC 406679913 YMODUMMVEBMDIS-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE CCc1ccc([C@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 437709087 OHJWGUWUYMFDRG-SUMWQHHRSA-N 426.460 4.894 30 10 IJEE CCc1ccc([C@@H]2C[C@H](C)CCN2CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)o1 464845080 LEHCAOMMEZGDDT-VGSWGCGISA-N 440.588 4.580 30 10 IJEE N#CC1CCC(CNC(=O)c2cc(I)c(Cl)cc2Cl)CC1 508349430 XEFKNYIBDXIGOX-UHFFFAOYSA-N 437.108 4.658 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1c(O)ccc2ccccc12 526829040 RQYIFLLKGCZXMM-QRVIBDJDSA-N 433.493 4.782 30 10 IJEE CSc1nc(O)c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N 537372543 KAMYOEQVJPWHNG-WBVHZDCISA-N 435.471 4.808 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 538650982 QVVZGEWUYMCIMM-IFMALSPDSA-N 435.572 4.534 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2Cc2ccccc2)c1 549532746 INWKMMAMKHHCHD-UHFFFAOYSA-N 443.942 4.556 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 609356357 VVUBWJGPRXCZFZ-IBGZPJMESA-N 429.448 4.512 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)s2)cc1 610168302 TVKCJZWUYJLETK-HOCLYGCPSA-N 428.489 4.722 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Nc1ccc(C#N)cc1Cl 611533018 AHAZZIJFBFYCMW-NRFANRHFSA-N 435.915 4.620 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C(C)C)cc1 733196470 COLNRTVYUXMZFP-NRFANRHFSA-N 437.540 4.933 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cn(-c2ccc(Br)cc2)cn1 756327741 JUXGDHWFFQTXCC-UHFFFAOYSA-N 446.688 4.548 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1=S 765079625 OPILJWBYCXZHTJ-MRXNPFEDSA-N 434.631 4.730 30 10 IJEE Cc1cccc2nc([C@H](C#N)C(=O)Cc3ccc(OCCOc4ccccc4)cc3)[nH]c12 765941140 BHVJGDGLIAHDAQ-JOCHJYFZSA-N 425.488 4.748 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 780054723 FIFCBECOWJHNDZ-NIYFSFCBSA-N 449.510 4.975 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 780054724 FIFCBECOWJHNDZ-SIBVEZHUSA-N 449.510 4.975 30 10 IJEE C#CC[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccn1 788353726 KEHKKNYHEQERMM-RBUKOAKNSA-N 443.931 4.702 30 10 IJEE COc1cccc(C2=NO[C@@H](C(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)C2)c1 1126096656 FSYUMRGREUNABP-XMMPIXPASA-N 445.906 4.947 30 10 IJEE C=CCn1cc(C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nn1 1127457989 JARUGHPUYGKVNP-LBPRGKRZSA-N 446.273 4.535 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3cc(OC)c(Cl)cc3C2)CCCN1C(=O)OC(C)(C)C 1129440260 ZIOQTMDRSAWBFV-QHCPKHFHSA-N 434.964 4.579 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1cc(F)cc(N2CCOCC2)c1 1130049229 JAOLQAKHMVVLST-UHFFFAOYSA-N 439.405 4.603 30 10 IJEE C=CCCOCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 1133194071 XCOAQWIQLUICAC-QFIPXVFZSA-N 446.588 4.579 30 10 IJEE C#CCN(C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C)[C@H]1CCCc2ccccc21 1134092824 ILKHIYSKPDQMFJ-SFHVURJKSA-N 425.554 4.952 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(OCc2cccc3ccccc23)C1 1136996000 MVHCEKQCKIEEEL-HSZRJFAPSA-N 438.568 4.817 30 10 IJEE C=C1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)C1 1147025107 PJASMCYQYZOVTC-UHFFFAOYSA-N 445.375 4.791 30 10 IJEE C#CCSCCNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1147343169 PVXUTFDLTFNKCC-UHFFFAOYSA-N 438.405 4.858 30 10 IJEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)sc2ccc(C#N)cc12 1155648442 GHUFWOFQPBSDEI-SFHVURJKSA-N 427.570 4.847 30 10 IJEE C=CCN(CC=C)[C@H](CNCc1cc(Br)cc(Br)c1O)C(C)C 1177226663 UVERNEXHCBRMJZ-QGZVFWFLSA-N 446.227 4.705 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1C#N 1202367428 DALGXIRZJAAKFU-UHFFFAOYSA-N 447.417 4.649 30 10 IJEE COc1cc(NC(=O)c2cc(Br)c(C)cc2Br)c(F)cc1C#N 1280498849 GLMKBZXXWQKJTH-UHFFFAOYSA-N 442.082 4.792 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCOCCCC 1286276237 WATSKJRPGWDLEG-OAHLLOKOSA-N 437.357 4.511 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cccc(Cl)c1 1286366074 SJIFSQLBQCFKOL-MRXNPFEDSA-N 441.000 4.933 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCO[C@H]1CCCC[C@@H]1C 1286366796 AZXGQDOSUXALBC-REWPJTCUSA-N 448.567 4.782 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CCC(OC)CC1 1286450534 JCWJYEWSQAOPML-UHFFFAOYSA-N 438.616 4.954 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)C1 1286549109 DHHPAMCBYPYSAQ-GUYCJALGSA-N 426.870 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cscn1 1286552335 PZMJMTAPTYLXOL-LIRRHRJNSA-N 447.967 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H](C1CCCCC1)N(C)C 1286567351 UQMMPOWDFQTMAM-HSZRJFAPSA-N 425.621 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286668390 QPDYNBXSVKXEGG-GCJKJVERSA-N 434.588 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286674410 PKQUWGKHASGTKW-OAQYLSRUSA-N 426.605 4.535 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C=C)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1286681664 QMEFHPDKQWIIKR-BVAGGSTKSA-N 436.600 4.693 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCc1cnccn1 1286683947 CHNWGZJWOQORMI-UHFFFAOYSA-N 427.556 4.627 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN(CC)C(C)C)C1CC1 1286733866 KWFOWRSRQWDTBJ-UHFFFAOYSA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286746374 WPOYDLBZOBOZTD-ATIYNZHBSA-N 438.616 4.788 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](C(F)F)C2)cc1 1286795088 WDDFVTIXCYLYML-IBGZPJMESA-N 439.510 4.743 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1286826119 XCNSYPLEBTYKRX-GDBMZVCRSA-N 438.439 4.970 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCn1nc(C)cc1C 1300282292 HBMSGZSDVNOSFF-GOSISDBHSA-N 436.629 4.637 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)c1ncc(C)s1 1300591726 WSPNGHTYWXRHRQ-HXUWFJFHSA-N 447.608 4.505 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1300737885 SJCZEPNDMZMFRO-XMSQKQJNSA-N 442.581 4.669 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC1CC1)C1CCC1 1300833725 BLBPWXLAFPXFOY-UHFFFAOYSA-N 447.377 4.640 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1300844464 OMSGGODJXYLIIU-FQEVSTJZSA-N 445.405 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(CC)C1 1300888735 LUTYCUWQUXTWCV-UCFCWBNQSA-N 445.007 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nc(C(C)(C)C)cs1 1300900915 JPMGIEJIUTYMNZ-HSZRJFAPSA-N 447.649 4.523 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1300999973 MGJZGCMCFZILSY-AREMUKBSSA-N 447.583 4.648 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(Br)n1 1301169462 AQFVPCJOHJKIHN-QGZVFWFLSA-N 434.382 4.518 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](COCC)C1 1301211273 DZWFYRTXDKHHDV-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(C)s2)C1 1301543534 ZYVCSUBNIWUSLD-MRXNPFEDSA-N 432.952 4.937 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1305347259 AFDWNWJDGQVYAZ-DVECYGJZSA-N 442.567 4.567 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CC)c1cccc(OC)c1OC)c1ccc(Br)cc1 1312936164 GLSNEIUXVWCKKP-ZWKOTPCHSA-N 431.330 4.591 30 10 IJEE C#C[C@@H](NC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1)c1ccc(Br)cc1 1312937597 QUTZFNNBDYQSMX-LJQANCHMSA-N 442.744 4.957 30 10 IJEE CCN(CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCC(CC#N)CC1)c1ccsc1 1313676513 FPKZGSPQTFYRDX-NRFANRHFSA-N 426.634 4.505 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccccc2)C1 1321789304 RBCCRYMCISOXDR-GGAORHGYSA-N 432.568 4.865 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1357735031 SWWYEPMKXGRWQN-VWLOTQADSA-N 441.572 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[C@H]1CCCCO1 1358880012 CJYAAAWCAJBNOB-PZJWPPBQSA-N 440.588 4.548 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@H]1C 1359000089 LKJVSSHRPSJORW-WOJBJXKFSA-N 444.023 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1359063588 YLGCCUDSXLFUOZ-DRMXPCRNSA-N 425.646 4.712 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)[C@@H](F)C1 1359078887 QTXXZQBSFUAUIC-DOMZBBRYSA-N 439.398 4.978 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1359082288 DXRZXFZLLBVPBS-GOSISDBHSA-N 447.377 4.813 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CC)CC1CC1 1359092638 DBBMNFIBYKUNLL-UYAOXDASSA-N 432.515 4.764 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1359159371 VAICWEXHKBDEJI-PZJWPPBQSA-N 429.584 4.690 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(C)c2ccccc2F)CC1 1359177948 FNYNWBRPRXXKJC-QFIPXVFZSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(c2nccs2)CC1 1359217004 KVIUDJRDWKYZJP-UHFFFAOYSA-N 443.020 4.662 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359258761 AYLXYUCEMWHCOY-IUTQVRIDSA-N 431.584 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1cccc(Cn2ccnc2)c1 1359261423 ICWNBMGAGBORGI-UHFFFAOYSA-N 432.597 4.949 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CCc1scnc1C 1359276872 UCFBAUKZMNGQJT-UHFFFAOYSA-N 437.544 4.920 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1437621954 MGCVDHCVQUXXCI-SIKLNZKXSA-N 427.566 4.936 30 10 IJEE CC(=O)N1CC[C@H](OC(=O)c2cccc(COc3ccccc3C#N)c2)c2ccccc21 1438345501 ZKJXGCCEZFXQGE-VWLOTQADSA-N 426.472 4.792 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc21 1439757610 PQTKRTFZGQLKCQ-UHFFFAOYSA-N 436.415 4.880 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(CN3CCCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1442615093 KCKDFYISOTXDAS-SANMLTNESA-N 439.600 4.794 30 10 IJEE C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 1458347042 GGZRVJHZRKDDNS-BWKNWUBXSA-N 439.559 4.778 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCc1nc(O)c2ccccc2n1 1460773648 GOOQKGDNKFDRJS-UHFFFAOYSA-N 442.313 4.624 30 10 IJEE CC(C)c1nc(C(=O)NCc2ccc(C#N)c(F)c2)nn1-c1c(Cl)cccc1Cl 1460905601 GNYWMNQHARYAML-UHFFFAOYSA-N 432.286 4.638 30 10 IJEE N#CCCn1cc(CN2CC(Cc3ccc(C(F)(F)F)cc3)C2)c(-c2ccncc2)n1 1462312411 CNDITQBCCMKXPP-UHFFFAOYSA-N 425.458 4.552 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 1464679060 YOZXLVJXQKHXJI-FQEVSTJZSA-N 447.963 4.769 30 10 IJEE C=CCOCCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 1465471786 XTNZDOCVSXVRII-UHFFFAOYSA-N 427.932 4.534 30 10 IJEE C#CCN(CC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1)C(=O)OC(C)(C)C 1466684647 NFBIFWMHUHKFQS-SFHVURJKSA-N 426.582 4.553 30 10 IJEE C#CCN(C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1469417222 DTPFGJRGCSBMKP-FQEVSTJZSA-N 441.616 4.785 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C[C@]1(C)OCC 1470260740 XGGHWWAOOHAPLR-OASJLCFRSA-N 448.563 4.544 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCC[C@H]1c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1470309475 GIQUXQAFTLYXID-GGAORHGYSA-N 439.600 4.615 30 10 IJEE C#C[C@@H](NC(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(Cl)cc1F 1470667378 QPEAMDWXWQADSV-MOPGFXCFSA-N 439.959 4.734 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cscc1Br 1471624659 VUEWYXMEVZJXPI-CYBMUJFWSA-N 437.787 4.505 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2Cc3ccccc3C[C@@H]2C)n(Cc2ccc(F)cc2)c1C 1473200149 ARIXXAXDVNNVII-KRWDZBQOSA-N 430.527 4.549 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1)C1CCOCC1 1476408889 MXQPSBZIAFYDKW-QHCPKHFHSA-N 437.971 4.843 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@@](C)(Cc2ccccc2)c2ccccc2)c(C#N)cn1CC 1476762401 HAUNXQJZCCPAOW-SANMLTNESA-N 444.535 4.836 30 10 IJEE C#C[C@@H](NC(=O)NCCCO[C@H]1CCCc2ccccc21)c1ccc(Br)cc1 1477920342 HMXBQLFVTHDHMW-YADHBBJMSA-N 441.369 4.907 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccc(C)cc1)c1ccccn1)c1ccc(Br)cc1 1478579071 XAYVVZVVNVHYIZ-IFMALSPDSA-N 434.337 4.916 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 1478806603 JKHGKITWBLYNKU-RPWUZVMVSA-N 435.568 4.522 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)CC)CC1 1499441663 FKWSTKAUPHLAHX-GMAHTHKFSA-N 434.632 4.954 30 10 IJEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1)C(C)C 1503969861 CWVNEEKARCFUKT-LJQANCHMSA-N 435.494 4.657 30 10 IJEE CS[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1505178481 FWHUHHHBLFFRAE-UWJYYQICSA-N 436.000 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507516483 CEPNSIHZXPJQLA-TZRRMPRUSA-N 447.671 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1c(C)coc1C 1507539758 AXEQSVFNFYJKMN-SFHVURJKSA-N 440.975 4.968 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCCC[C@@H]2C1 1507556372 LQWBMQAXSVGDSZ-GOSISDBHSA-N 432.399 4.730 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507746082 KMFWURDVRITGID-XCLNPWKQSA-N 431.005 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCN1CCCC 1507766358 NLNCJUBSEPQBNT-QFQXNSOFSA-N 435.616 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1507804769 HTWTWCXXUPEQGY-XAISMOLKSA-N 438.616 4.896 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1507838083 ZHWNAGXHBVPDIX-DHIUTWEWSA-N 448.615 4.530 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1507912928 MEZHNFQZDUANNX-PGRDOPGGSA-N 434.588 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCSC2(CCOCC2)C1 1507913547 ZTEQYADQRHURCA-UHFFFAOYSA-N 442.629 4.658 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1507931506 ATKCPNALFWCZOW-HSZRJFAPSA-N 428.584 4.971 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1507955724 PHEFACLBVFNMTH-UHFFFAOYSA-N 429.540 4.501 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1 1507999853 RFEAQSDPTRDCKJ-NHCUHLMSSA-N 442.567 4.610 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCc1c(C)noc1C 1508007679 FIHLHHOVRXXJRQ-JOCHJYFZSA-N 439.535 4.699 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1508163099 SWQOBLRWAUPNSD-HXUWFJFHSA-N 447.048 4.694 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCCC2)c1C 1510373576 IGAAVUITTVHAOD-SIKLNZKXSA-N 438.620 4.507 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CN(C)C(C)C)CC2)s1 1510872483 DJGXIVRRTNAMCU-UHFFFAOYSA-N 448.640 4.792 30 10 IJEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)C1 1512179774 HJTVQCFSHVPZMQ-PMACEKPBSA-N 448.640 4.678 30 10 IJEE CC[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cc(F)cc(Br)c1 1517061188 COZUPBDOSHABGQ-QGZVFWFLSA-N 428.261 4.996 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H](C)c2nc(C)cs2)c1 1518362602 GMEJITQMNLMDRL-MRXNPFEDSA-N 436.585 4.652 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)CCc2ccc(OC)cc2)s1 1519302227 CCXXCZDNZUVOFI-AWEZNQCLSA-N 425.019 4.985 30 10 IJEE C#Cc1ccccc1CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 1525360188 NFZCRNSJWCLDQJ-CQSZACIVSA-N 425.351 4.974 30 10 IJEE C=CCOCCCNC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1529053368 CYUVRVLBFLNSHI-KRWDZBQOSA-N 431.360 4.610 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)C(C)C)ccc1F 1531421435 HAEQXSPVCBQKBA-SBUREZEXSA-N 446.588 4.931 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)N(C)C1CC1 1538985895 FNUBUPXIFMNUAQ-DLBZAZTESA-N 437.588 4.753 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539076660 UTRYDHZULNMZPW-UHFFFAOYSA-N 444.627 4.711 30 10 IJEE C=C(C)c1cccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 1539121170 AYWZAEOBUZWKSS-SFHVURJKSA-N 432.307 4.870 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CC(OC(C)(C)C)C1 1539155369 SCCPTOKAZUUJKM-UHFFFAOYSA-N 432.515 4.600 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1539338054 UNOACWRXKGVNST-KOUNCHBCSA-N 436.625 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC12CCC(CC1)C2 1539645994 SYBKDIMGOBUMOO-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@H](C)CC 1539647873 YYLLFVDTBMBYLL-JLGINSKQSA-N 426.605 4.937 30 10 IJEE C=C(C)Cn1c(N(Cc2ccccc2)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733998 YEQKFSJIPFZTHR-BGYRXZFFSA-N 437.588 4.794 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539874199 KGGCEXUWNIWCAT-QHCPKHFHSA-N 449.643 4.871 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2cccc(C)n2)CC1 1539874292 DGZZOVBUADNARE-UHFFFAOYSA-N 447.583 4.701 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2nc(C)no2)CC1 1539974609 DFSNENJDQJNLFI-WOJBJXKFSA-N 442.608 4.628 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCC(C)CC1 1540146942 GSAYLRLBVHMLOY-TZIWHRDSSA-N 429.634 4.504 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)CN1CCCC1 1540154263 SXNOYMBTECAEMF-HXUWFJFHSA-N 430.600 4.712 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1540158628 NCXXAJVVVAIITH-NZQKXSOJSA-N 428.964 4.505 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC(C(C)(C)C)C2)C1 1540885064 AWJDACIMGZFFOH-LYBXBRPPSA-N 425.533 4.632 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2csc(C)c2)C1 1540895265 OGRSXJLYCYDVEB-OAQYLSRUSA-N 438.597 4.673 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@H]2CCCCO2)C1 1540896824 UPNWJCVQLKEBKR-RTWAWAEBSA-N 442.629 4.619 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](COCC)C1 1540912599 FEKZYKSFBKUINF-IBGZPJMESA-N 439.629 4.609 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1541118665 FJNBLRZMKOVHAW-TZBSWOFLSA-N 448.659 4.907 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(CC2CC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1541496735 GACPNJQLQMSZBF-SANMLTNESA-N 433.600 4.583 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC(C)(F)F 1541799491 GNMFRZUXAUOHCN-INIZCTEOSA-N 429.471 4.901 30 10 IJEE C=CCn1c(SCC(=O)Nc2n[nH]cc2C2CC2)nnc1-c1ccc(Cl)cc1Cl 1557180765 CJLXCSAKMIPZJD-UHFFFAOYSA-N 449.367 4.769 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1OC 1560312949 ZARRTCBQWCKTTG-IBGZPJMESA-N 431.374 4.781 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)c1ccc(Cl)cc1 1584690680 WLVKBOCOEZXLRE-SFHVURJKSA-N 428.294 4.911 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 1585103217 RZFLXNXWIVIDGK-IBGZPJMESA-N 444.572 4.593 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 1587496203 DZKZNBHYLIIQMQ-XMMPIXPASA-N 445.950 4.942 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1587657119 PFBBMVVBITWZOR-KRWDZBQOSA-N 447.539 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC)C1 1589504341 HJBJJOSWVUCZHM-GIVPXCGWSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1589514169 DMFJJDBJNUZOQB-CECAUBDESA-N 439.510 4.797 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1589545136 LQNDAICHHNIJHO-AVRDEDQJSA-N 426.561 4.687 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1594202227 IGAFMVBGAMEZMF-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC)[C@H](C)C1 1594454135 CFLSVVRCMZSOTF-MOPGFXCFSA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1594521519 PZCWALIPXJIXGS-SFTDATJTSA-N 440.636 4.526 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 1594535542 SHTUAAZQGOWEOP-GMAHTHKFSA-N 438.616 4.783 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N(CC)Cc1nc(O)c2sccc2n1)c1ccccc1 1594551957 CZJMGARDTMWIME-SFHVURJKSA-N 448.596 4.937 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1594582197 NKFWUICBCYYQQS-QHCPKHFHSA-N 448.615 4.701 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1594812739 JKEFNTQJOZHHTK-ICSRJNTNSA-N 445.633 4.515 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1597190726 LJHSIZXVTYXHDL-NQIIRXRSSA-N 431.363 4.902 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 1607448182 DVFVGYNHLGIZIF-FUDKSRODSA-N 434.632 4.810 30 10 IJEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(C)C)C2)cs1 1613871029 DJPHWYSOSBRNLV-FQEVSTJZSA-N 434.613 4.951 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SC)C1)C(C)C 1616087651 FUAYNDHTCFDPNB-VXKWHMMOSA-N 441.645 4.990 30 10 IJEE C#Cc1ccc(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)c(Cl)c1 1618186547 UKRIGFSQSGMDHK-SFHVURJKSA-N 438.833 4.897 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cnc(-c2ccccc2Br)s1 1620838057 CFFLXHOJZZWWTK-UHFFFAOYSA-N 431.286 4.976 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)c1ccc(Br)cc1 1623093784 INOUWQVMPUPDMH-XHCCPWGMSA-N 447.398 4.992 30 10 IJEE C[C@H](C[C@@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1)NC(=O)OC(C)(C)C 1627424332 BRCQXAKJEZMIGX-QZTJIDSGSA-N 437.540 4.559 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CCCN3Cc3ccccc3)c2)s1 1631890247 HIPQQVLVLRNBRL-JOCHJYFZSA-N 430.577 4.751 30 10 IJEE C[C@@H](NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1634169186 AMSHFSDDHPRVQV-QGZVFWFLSA-N 436.556 4.889 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)c1cc(C)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1637695998 CMJOXPLJYHXSCM-QFIPXVFZSA-N 427.589 4.799 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1637757016 FUUUCROVSPIFQH-KRWDZBQOSA-N 439.865 4.744 30 10 IJEE C=C(C)[C@@H](NC(=O)CCSCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1638961801 KQHVLSGIUXQONM-LJQANCHMSA-N 428.545 4.736 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)C(C)C 1639715784 SZIGTFVNZBEWAU-QFIPXVFZSA-N 426.582 4.526 30 10 IJEE N#Cc1cccc2c1CCN2CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 1643505015 DBBFAXYXSPPRLM-UHFFFAOYSA-N 449.308 4.509 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C2CCCCC2)N(C)C)cc1OC 1648814174 HTNMLFWYRLCCDW-LJQANCHMSA-N 425.411 4.623 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1657183338 XEMFANRPPQWSIF-OAHLLOKOSA-N 440.378 4.783 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cc3c(cc2OC(F)F)OCO3)cc1OC 1657556925 UKMOEIVTWIKZSP-UHFFFAOYSA-N 427.831 4.533 30 10 IJEE C=CCc1cc(CN[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cc(OC)c1O 1657765302 LLWSEQVYUSBWPZ-VLCRHTCISA-N 430.589 4.643 30 10 IJEE N#Cc1ccc(OC2CCC(NCc3cnc(-c4c(F)cccc4F)s3)CC2)nc1 1661928018 GWKLPDRKRWPDIV-UHFFFAOYSA-N 426.492 4.835 30 10 IJEE N#CCCN(Cc1ccccn1)C(=O)Nc1cc(Br)cc(Br)c1 1671959029 CWNBJNXNMVCIOE-UHFFFAOYSA-N 438.123 4.554 30 10 IJEE Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1674273240 BAXGAYXPGCGUOZ-UHFFFAOYSA-N 430.474 4.934 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4cc(F)cc(Br)c4C3)cc2n1 1675017830 NHJWFBIOQCQWOE-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(c2nccc3sccc23)CC1)c1ccc(F)c(F)c1 1680281218 WAMKFEOMSLHONT-HXUWFJFHSA-N 428.508 4.724 30 10 IJEE C#C[C@H](NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1682366582 GUKSAMNCOSLGGL-SFHVURJKSA-N 429.706 4.664 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 1683106916 PGEMYHDTTYTHNX-MOPGFXCFSA-N 445.485 4.556 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(OC)CCCC1 1689830692 BSPHCPIMCPEVSW-LJQANCHMSA-N 431.584 4.770 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCC[C@@H]1CCCCO1 1690088572 PYJSPHJFBMFPOO-QFIPXVFZSA-N 436.531 4.975 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(F)(F)CC1 1690161431 FSOSOMYSRLXMAJ-HNNXBMFYSA-N 436.597 4.733 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(F)c1 1690245915 OJPCZAYADIRHBU-XMSQKQJNSA-N 430.568 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)CN1CCCC1 1690258698 QGALAMCYEUWWFF-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1690284614 MGAWCIYRGIVLOD-SFHVURJKSA-N 434.588 4.684 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1690347648 LOCOKCUSMIWVNK-LJQANCHMSA-N 448.901 4.981 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCCCC2)CC1 1690415630 RZMHCUWGGQKBFM-UHFFFAOYSA-N 444.023 4.789 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccsc1 1690499920 FRKUPIKZCSIKDX-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1690533223 ASBDSOFRLZGFEN-FQEVSTJZSA-N 441.963 4.563 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1690563350 OJLQNPMXZTUUTR-YADHBBJMSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccs1)N(C)C 1690576348 XKPLAOCDZXPYKC-IBGZPJMESA-N 438.626 4.892 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690632629 GVXMYGZYKGQUSG-NRFANRHFSA-N 449.393 4.544 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690684398 FILZYEMFJPAPAG-IFMALSPDSA-N 440.588 4.527 30 10 IJEE CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1CC1CCN(Cc2ccccc2)CC1 1691054004 ARHSBFTUXWXSGG-UHFFFAOYSA-N 434.632 4.618 30 10 IJEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CC1CC1)c1cccs1 1691338451 HVGAOQZTQWEGBA-UHFFFAOYSA-N 430.581 4.986 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705483274 RCGCALLQCXACHR-ZJPYXAASSA-N 445.405 4.678 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1705503553 YHBXCJQWODJZPD-UNMCSNQZSA-N 449.624 4.522 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CCOCC1 1705510133 NVGPIDRZDZBCCM-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(C)(C)C1CC1 1705611006 MNSYNXDCAPZUTA-UHFFFAOYSA-N 446.599 4.522 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCc1csc(C(C)C)n1 1705620980 MOFUFHPQKALHHX-UHFFFAOYSA-N 437.588 4.832 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2sccc2c1 1705711639 QMWGKNATHGJWAE-HSZRJFAPSA-N 426.586 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCN2CCCC)CC1 1705764608 GCCZKHKEXCVOCO-QFIPXVFZSA-N 438.576 4.664 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2CCCCO2)CC1 1705775610 GPDZEVRXGJOVAR-JOCHJYFZSA-N 437.588 4.509 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1705796741 JIKNMDQAWOUBBI-XLIONFOSSA-N 433.522 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3c(C)cccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1705802787 WFRAAGPKBSKBBQ-SANMLTNESA-N 438.616 4.792 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1705809327 ODQZSWRRDORAMT-NRFANRHFSA-N 425.646 4.910 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1705813877 VZXDSKLPGVGWKP-HXUWFJFHSA-N 425.964 4.828 30 10 IJEE C=CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC=C(C)C)C1CC1 1705852774 DPRDEWGMFNUXDF-UHFFFAOYSA-N 432.572 4.576 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CC)s1 1705862522 NCQJNJHSNCWMJG-UHFFFAOYSA-N 436.560 4.683 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H](O)C1 1705865347 KBESUKSGADDRCZ-AEFFLSMTSA-N 444.004 4.799 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(O)cc1 1705893591 AYQJUHOWECAUGF-PMACEKPBSA-N 439.560 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCO[C@@H]2C(C)C)C1 1705918465 JYGVOUIESYGYLO-NNMXDRDESA-N 445.007 4.831 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCO[C@@H](C)C1 1705942100 HMMGTRXDCAURJD-KRWDZBQOSA-N 432.659 4.810 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nc(C(C)(C)C)cs2)cc1 1708908504 HDKRHRVVRNLXPQ-QHCPKHFHSA-N 438.576 4.752 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1c(C)noc1C 1722282766 RHNQYGSTWDYQOG-KGLIPLIRSA-N 442.361 4.574 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722361891 JMVPZYNNCHILMG-JPYJTQIMSA-N 446.064 4.804 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1722387858 MTBDBBXXBWVIRS-RTBURBONSA-N 443.016 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H](c1ccsc1)N(C)C 1722472859 UTENFAYAMZMCSL-WIOPSUGQSA-N 433.625 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C2CC2)CCC1 1722500461 RRDIFNYDEYHQSY-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722562882 PBTUTCCBCOYVCL-UHFFFAOYSA-N 431.968 4.622 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722598123 XTBYLSSJESAJKW-ROUUACIJSA-N 433.547 4.822 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1CSC)c1ccccc1 1722598133 ZSNGTMQDYNTPDS-GMAHTHKFSA-N 433.625 4.956 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccsc1 1722662967 PSWQIOCUMARBGV-JOCHJYFZSA-N 437.594 4.563 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(c2ncc(C)s2)CC1 1740594809 CAVKPZXNTOLYRT-UHFFFAOYSA-N 435.597 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCCCCC2)nc1 1740771029 PIDZUDGKDYVWNU-UHFFFAOYSA-N 433.604 4.510 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740779228 VZFRFDAJRVTDRP-RBUKOAKNSA-N 444.023 4.958 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)=C(C)C1 1740789255 BBTJIZRIUNKOTJ-UHFFFAOYSA-N 449.368 4.986 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1740789405 KPVLVAAOYINQSV-OAQYLSRUSA-N 448.970 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(O)c1 1740845320 KWUAINBUPBNPMP-UHFFFAOYSA-N 441.963 4.946 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1740864520 ALLDNMBPFKENCL-UHFFFAOYSA-N 425.596 4.828 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ncc(C)s2)CC1 1740865635 PMOODTRVBFQMBO-UHFFFAOYSA-N 439.633 4.645 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1740924697 AFNDGTWQAWVGQG-ULQDDVLXSA-N 430.394 4.661 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnn(C)c1 1740927773 ONKPVGWOESIBCX-UHFFFAOYSA-N 434.544 4.773 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](C)CC1 1740953156 XIHLVKJCEDWYCT-OAHLLOKOSA-N 444.004 4.742 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCc2ccc(Cl)s2)C1 1740982609 XWBVXEHTFFVVKH-QGZVFWFLSA-N 446.979 4.747 30 10 IJEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[C@@H]1CCO[C@H](C)C1 1742941991 DKDWMXDODPLZCV-WOJBJXKFSA-N 437.588 4.526 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCc2c(ccnc2O)C1 1748700106 XLCXSBARQNQMBZ-FQEVSTJZSA-N 445.567 4.502 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1749033021 XXOQVVZZWIQGOC-KRWDZBQOSA-N 440.642 4.540 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccccc1 1749129284 BZRSNPXTAIANBV-NFBKMPQASA-N 426.605 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCC1(F)F 1749148906 KEYIPDWMVBAAQN-SFHVURJKSA-N 432.515 4.944 30 10 IJEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749261125 LFBYRFTZPZMZPC-HSZRJFAPSA-N 425.964 4.887 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](C)C1 1749387196 UHVGXBRSUDJTJS-GOSISDBHSA-N 429.996 4.844 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(F)(F)C1 1749392825 AGCDDKMSCBBRMR-UHFFFAOYSA-N 441.320 4.918 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](F)(C#N)C1 1749445713 WDUVVNSKHIJFBC-OAQYLSRUSA-N 445.951 4.848 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1ncc(C)s1 1749531674 OUCITJDQDWUQOJ-QGZVFWFLSA-N 443.580 4.906 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CC[C@H](C)C2)CC1 1760258544 NVBLJCJDFHWAOM-XZOQPEGZSA-N 449.643 4.561 30 10 IJEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1760360988 CUQKPXBHAFJVMV-OFNKIYASSA-N 440.588 4.617 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CCNC(=O)C(C)C 1760490863 LPMJMXXVVKDVHY-UHFFFAOYSA-N 444.004 4.764 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)CCCC1 1768233810 CGNJLFJDXLBUCQ-AZUAARDMSA-N 425.577 4.733 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2O[C@H](CC)C(C)=O)SC1=Nc1cccc(O)c1 1772762852 IMPDAKYQJWXKCS-YMGQBBTDSA-N 436.533 4.929 30 10 IJEE Cc1cc(NC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)ccc1Br 1860726675 ZVUXQHUCHWBKIN-XVNBXDOJSA-N 441.094 4.880 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 1861383395 FTTVZYKEKJPKCM-JOCHJYFZSA-N 438.616 4.736 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)COc1ccccc1OCC 1861635403 GODHZGBWGWBPDK-NRFANRHFSA-N 432.605 4.712 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862433177 WRJNRJQNVINWRC-LJQANCHMSA-N 434.319 4.734 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 1862475751 TXINZDZBJDMXLR-XMMPIXPASA-N 427.500 4.961 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cccc2ccccc12)c1cccc2ccccc12 1862653693 UEUJFLJLUKQWPR-VWLOTQADSA-N 437.495 4.954 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862666842 NHCYEUKRKCUZDJ-AOMKIAJQSA-N 435.520 4.973 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 1862673354 DDGVLPSENFXJER-NPMXOYFQSA-N 447.462 4.879 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(F)cc2)cc1 1862688626 XREUAEDYWVZGHG-NRFANRHFSA-N 437.492 4.717 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)c1 1862702684 JJFVYPWBTAGVMK-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 1862716131 YWQIBGUTMBQCRP-QHCPKHFHSA-N 433.479 4.720 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 1862739024 OPYSPAYVOCFJFU-IBGZPJMESA-N 426.856 4.769 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3F)C2=O)c1 1863401948 NAFHXFNCJDYCNE-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863705012 ZAYXYZSGERLXLH-DKODJIDWSA-N 448.607 4.934 30 10 IJEE CSCC[C@@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866692273 NCYIGHAXFVBMCQ-CRYHJCRISA-N 447.604 4.845 30 10 IJEE Cc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1870137408 MAHHXSMXKXNSNK-UHFFFAOYSA-N 439.319 4.737 30 10 IJEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1870152746 JBLMXSCFZJCZRI-OVCLIPMQSA-N 439.450 4.509 30 10 IJEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3-c3ccc(Br)c(C)c3)c(C)c2c1 1870159569 PPZHFMYTTVOFOV-UHFFFAOYSA-N 449.312 4.560 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(F)cccc2Cl)cn1CCCCCO 1870637495 OBQBXRGIYOFMAE-UHFFFAOYSA-N 448.966 4.556 30 10 IJEE N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Nc1cccc(OCc2ccccc2)c1 1871281900 JOHIDJWHIWAOEG-UHFFFAOYSA-N 431.473 4.593 30 10 IJEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)cc1 1871355130 TYCGTLIIXIPVKZ-IWIPYMOSSA-N 448.563 4.648 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OCCCN(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 1871451883 RXTSVPGKYPYHHX-CFRMEGHHSA-N 434.536 4.925 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871824764 GHRAUZFAJNTAQE-QAPCUYQASA-N 434.524 4.677 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872515080 QZIUAPAKQOMEAJ-NRFANRHFSA-N 444.597 4.523 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)n1 1872788567 LKHIMCBXPAHROS-QGZVFWFLSA-N 426.881 4.887 30 10 IJEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 1872788998 WGDWOYVBDJRZAU-HNNXBMFYSA-N 428.897 4.736 30 10 IJEE C=CCNC1=C(c2cc(F)cc(F)c2)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1873114421 XNUVSQSVKDLXFL-UHFFFAOYSA-N 430.454 4.610 30 10 IJEE C=CCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2c(N(CCC)CCC)ncnc21 1873594302 RDDJSWYOBINWFH-UHFFFAOYSA-N 444.583 4.698 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660548 NRMCAOZMRVAJFE-UHFFFAOYSA-N 433.462 4.784 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(N(C)CCCC)ncnc21 1873665407 NVCFPMVNMBVUAT-UHFFFAOYSA-N 436.516 4.577 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc[nH]1 1874289362 AMQGCWNCMPVIOJ-DHRITJCHSA-N 437.500 4.507 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccn2C)cc1 1874303913 XVBGWNHSVWTSSI-WGOQTCKBSA-N 449.555 4.920 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccnc1 1874313042 ZRUMAYBHLRONLK-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(C)cc3)nnc2SCCCO)cc1 1874390549 SNJFXOLDVHBBFN-XIEYBQDHSA-N 438.597 4.713 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874426903 GUEXZTOYDRBKNE-OEAKJJBVSA-N 431.477 4.733 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1cccs1 1874489107 ZWOLEOQSNMNFCG-LPYMAVHISA-N 427.599 4.714 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc(Cl)c1 1874503866 DIVZYXCJZSXTSU-FSJBWODESA-N 431.924 4.636 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874524616 XMIUBKSKYUFEDH-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(OCC)ccc2OCC)cccc1OC 1874587365 JJYUPJXUHHGUGH-ACCUITESSA-N 442.508 4.721 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)c1OCCCO 1874588987 NZDQWSBYYRJMKB-AATRIKPKSA-N 425.308 4.976 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCCCC1)n2CCCOC 1875222144 VSYNYSDVWHDIKV-UHFFFAOYSA-N 429.609 4.866 30 10 IJEE C#CC[C@@H](C[C@@H](NC)c1ccc(I)c(Br)c1)C1CC1 1887499575 JTQRNHJYVRXDRF-BLLLJJGKSA-N 432.143 4.754 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4ccccc4C)nn3C)cc21 1890778684 FJAGFVHNNVFZSE-UHFFFAOYSA-N 444.535 4.585 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949309667 VYAUSMIHNZAOPU-SQJMNOBHSA-N 427.589 4.597 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959031397 RHWCEUDOVXAKQL-YKSBVNFPSA-N 439.487 4.918 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(C#N)c1 2010550343 OUQRXGMFIHWNDO-QRWLVFNGSA-N 443.931 4.649 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(C#N)c1 2010550344 OUQRXGMFIHWNDO-YWZLYKJASA-N 443.931 4.649 30 10 IJEE CN(CCN(CCC[C@](N)(C#N)c1ccccc1)Cc1ccccc1)Cc1ccccc1 2034738881 BZUGCPVCHQGCBR-NDEPHWFRSA-N 426.608 4.779 30 10 IJEE CN(CCN(CC[C@@H]1CCC[C@]1(C#N)NC1CC1)Cc1ccccc1)Cc1ccccc1 2034739128 GWKYAEYGZQPPKD-XTEPFMGCSA-N 430.640 4.825 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NC 2047968278 QEMQLPLNJUWODD-HOTGVXAUSA-N 429.786 4.540 30 10 IJEE Nc1c2c(nc3c(-c4nc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCCCC2 2081545651 RIPBUWITLZHYRW-UHFFFAOYSA-N 433.331 4.819 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@@]34CC[C@@H]3CCCN4Cc3ccccc3)cc2)OC1(C)C 2151199710 STNQMBGFRSIRTE-CUBQBAPOSA-N 446.444 4.520 30 10 IJEE CC(C)(C)OC(=O)N1CCC(OCCCNc2cccc(Br)c2C#N)CC1 2162421924 JMNISMCKFOJWCP-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1Cc1ccc(Br)cc1C#N 2174558597 BSECEVBWLAHVIT-RDTXWAMCSA-N 436.394 4.834 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)c(Br)c1F 2174765701 OYXQWUOILZKXHJ-XMQYKBBCSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CC1 2180986861 IIUCAGIKPGOXCG-ZFWWWQNUSA-N 436.350 4.733 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)c(F)c2F)NC)C1 2183051834 CLMMDFRDKUCEKR-OAHLLOKOSA-N 445.348 4.719 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2235721584 DUHQZWZGZOGOLI-UZLBHIALSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2ccccc2Br)CCC2(CC2)CC1 2235726307 IKNZNVQSGXCLAV-SFHVURJKSA-N 433.390 4.746 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2235745720 DZOAOHPPCMWJOM-OALUTQOASA-N 435.406 4.718 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C 2235750473 VYZYJIVTMVHVRN-SFGWALBWSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(OCCNc2ccc(C#N)cc2Br)ccn1 2240658069 ZFKCBKONORCUHZ-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2F)OC1(C)C 2241478300 BTVJHXJXZRLTQH-UHFFFAOYSA-N 445.343 4.968 30 10 IJEE Cc1csc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2247916224 SJOZPVPETFHMTD-QGZVFWFLSA-N 425.403 4.797 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@H]3CN(Cc4ccccc4)CC4(CCC4)C3)CCC2)OC1(C)C 2266999227 LMQIPUIDIDQXNO-OAQYLSRUSA-N 438.421 4.564 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2283009089 BYWNKJBXUXFHBO-XMMPIXPASA-N 449.448 4.671 30 10 IJEE O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 2294377305 FVETYHHLGBKZLZ-HSZRJFAPSA-N 442.298 4.993 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296114151 OGCGODNOQIMXPG-IBGZPJMESA-N 438.480 4.534 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@@H](O)C#Cc1ccc(Br)cc1 2296280570 AWMRGDXOGQCIAK-FQEVSTJZSA-N 430.342 4.601 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2296294778 XRMJOEMZRUMFJM-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2296302467 JJJGCTZURTWHDF-PERKRYKHSA-N 435.406 4.672 30 10 IJEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)sc1C 2296925642 STGDWCHDFZZSSI-GOSISDBHSA-N 426.444 4.664 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2298496748 NKEJKCKJJKBVBB-UJKGCTCZSA-N 447.498 4.761 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319751169 VENNSBGUWZJYRM-INIZCTEOSA-N 430.354 4.650 30 10 IJEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccc2nccnc2c1 2321820415 FADYCIPABPIHQE-UHFFFAOYSA-N 432.406 4.554 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2322724634 XFLDIGQKGZPAPW-UHFFFAOYSA-N 429.472 4.905 30 10 IJEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc2c(c1)OCO2 2324080630 MHLXILMFIAULQR-UHFFFAOYSA-N 426.428 4.539 30 10 IJEE CCN(CC)CCOc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2325703546 YVQNNMGBOZXPRF-UHFFFAOYSA-N 434.536 4.832 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccn2C)cc1 2328564870 TZKGYRVMPSKNGM-UHFFFAOYSA-N 449.555 4.920 30 10 IJEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2330101957 NQSCDRVELNQKNR-MRXNPFEDSA-N 438.553 4.703 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1cccnc1 2331016256 CHBWQCFBNSJGOO-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)c(Br)c1 2331065611 BWYLPWOHRFZUPW-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2331165745 XWAYQXKPIIFVPM-HHHXNRCGSA-N 432.564 4.764 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1 2331305248 IGWRRSFVMUDEFH-UHFFFAOYSA-N 432.432 4.894 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccccc1F 2331323558 DKRRGYWZEIFKFT-UHFFFAOYSA-N 439.560 4.935 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cnccn1 2331630249 KMVCOPVHVHKSJU-UHFFFAOYSA-N 432.476 4.616 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C(C)C)cc(OC)c1O 2331701482 GASMQCKKQISVDW-UHFFFAOYSA-N 446.960 4.952 30 10 IJEE N#Cc1cc(CN)ccc1Sc1cc(I)ccc1Br 2338335762 ZQDUEZCXSFGEOX-UHFFFAOYSA-N 445.123 4.535 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)C#Cc1cccs1 2338392777 KFFJVWAHAAWPDY-KRWDZBQOSA-N 434.355 4.567 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(Br)cc2F)OC1(C)C 2339392405 HEBQXGLRUCHQOZ-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC[C@@H](NCC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839642 WBRDCLCCPLCFDE-ZEQKJWHPSA-N 448.460 4.939 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1C 8815999 HOQLFXGGAOSZPX-GOTYSUTNSA-N 431.945 4.556 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccccc2F)c1C 32973359 IDXICRABWRTAMY-UHFFFAOYSA-N 439.510 4.547 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(C)c2)Nc2cccc(SC)c2)c1C 32973362 SGFDXAZBFWEGDC-UHFFFAOYSA-N 449.624 4.991 30 10 IJEE COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 33715473 GMTBAMFJVQMOIG-WCIBSUBMSA-N 436.435 4.967 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)c1 34954718 WDBLWIJQIMRTKR-WCIBSUBMSA-N 436.435 4.967 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)c1ccc(Br)cc1 59047679 RGSZTMWJFKPQFQ-UHFFFAOYSA-N 442.382 4.987 30 10 IJEE CCOC(=O)/C(C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)=C(/S)Nc1ccccc1 103877078 QQBJDQSQFFVKKM-BMRADRMJSA-N 441.292 4.901 30 10 IJEE C=CCn1c(-c2sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)nc2C)n[nH]c1=S 105702275 OMCSUKBLSXRLCO-CHWSQXEVSA-N 431.974 4.954 30 10 IJEE Cc1cc(C)c(S(=O)(=O)NC2=C/C(=N\Cc3ccccc3)C(=O)c3ccccc32)c(C)c1 137760153 CCLFOJQHVDXUTG-SOYKGTTHSA-N 444.556 4.769 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1C 169964596 BYUQJWYXBSNVGO-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccs2)cc1 169982342 ULPVEKILLUKQOJ-QHCPKHFHSA-N 432.545 4.916 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1)c1cccc(Cl)c1 170049666 QROCAOGNXPVKAV-JOCHJYFZSA-N 447.874 4.894 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 170068844 IOAKXFXFQQOZHG-GOSISDBHSA-N 438.282 4.666 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2sccc2C)cc1 170107730 AFIHINJEYDLJIO-FQEVSTJZSA-N 443.565 4.849 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)cc1C 170178096 OFQRDCZRUSTSEO-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccncc1 170199193 YNRQDMSUZQJZOM-OAQYLSRUSA-N 432.451 4.629 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccncc2)cc1C 170205264 GUXVVJCNJKXITE-HSZRJFAPSA-N 444.487 4.586 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccncc1 170210998 BMPMGTAWYBLBJY-FQEVSTJZSA-N 428.916 4.902 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)c(OC)c1 170228743 WVSPBDADXOJCDK-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170244768 HBEDULDHSQYTML-HSZRJFAPSA-N 437.536 4.742 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1F 170251693 GDWWBXJWCZQJQQ-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(O)c1 170259950 GALMTIDZVWSVCK-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccco1 170279573 NGHGOZQQUAKIIE-GOSISDBHSA-N 429.881 4.782 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)c1 170296378 GBUSGKGOVHEBQF-XMMPIXPASA-N 443.499 4.946 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(C)o1 170299180 YXFQRFJQXDWKHB-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE Cc1cc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)c2cc(F)ccc2n1 170577399 WAJHPCDQWBKSKF-UHFFFAOYSA-N 436.450 4.849 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2sc(C)c(C)c2c1=O 253592712 XTRHEEIUGDFAEQ-FWEDZOCSSA-N 445.654 4.682 30 10 IJEE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)C1=NNc1cccc(C)c1C 254872585 SRUCHNIEIKERKR-UHFFFAOYSA-N 434.481 4.526 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 520135844 RPOHNPFGXKDOON-UHFFFAOYSA-N 439.390 4.765 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc(OC)c1OC 524635675 HXGATGYDTATUDH-ZWKOTPCHSA-N 435.442 4.751 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Br)c3)n2C[C@@H]2CCCO2)CC1 568420028 RUQBCZCNWHCUEH-APWZRJJASA-N 447.377 4.516 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 576847324 ZJCGTMDQNGKWGY-LJQANCHMSA-N 430.533 4.741 30 10 IJEE C=CCCN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586214124 QFZGFIHDRPETHI-UHFFFAOYSA-N 429.460 4.982 30 10 IJEE C=CCC1(NC(=O)c2cc(I)ccc2Br)CCCC1 690749919 ULKXUXUYDSFPDD-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 716118962 DOYILLFXIORMOU-XMMPIXPASA-N 445.560 4.976 30 10 IJEE Cc1ncccc1/C=C1\CN(c2ccc([N+](=O)[O-])cc2)C/C(=C\c2cccnc2C)C1=O 730418882 DFXVCXINCWEYMA-JFMUQQRKSA-N 426.476 4.558 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@@H]2CCCc3ccccc32)nc1C 731051917 WDSWTUTYKSWRSV-HNNXBMFYSA-N 425.583 4.633 30 10 IJEE COc1cc(OC)c2cc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)[nH]c2c1OC 739748567 CMPRFCNQANKMPW-UHFFFAOYSA-N 447.516 4.724 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(-n2cncn2)cc1Cl 764669540 VEYIZSDBPJIEDH-UHFFFAOYSA-N 431.809 4.719 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H]2Cc2ccccc2OC)c1=S 764943760 GTPZCMINCMQODF-NRFANRHFSA-N 435.597 4.725 30 10 IJEE COc1ccc([C@H](NCc2cc(C#N)ccc2F)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 774254346 QFVYVXOIYSLSAW-PKTZIBPZSA-N 439.531 4.936 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNc2c(F)c(F)nc(F)c2F)cs1 917541575 BARDEXMRVHRHCL-UHFFFAOYSA-N 443.813 4.879 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(C(=O)c3cccs3)CC2)CCCN1C(=O)OC(C)(C)C 1116761505 GATDIZCMDQZSAE-HSZRJFAPSA-N 432.586 4.515 30 10 IJEE N#Cc1cc(F)c(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c(F)c1 1124917364 AVWSCFKHJICVMR-KRWDZBQOSA-N 438.261 4.777 30 10 IJEE Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)c2ncc(C#N)cc2Cl)cc1 1125620658 BJILECTXLPSOQQ-OAQYLSRUSA-N 430.895 4.515 30 10 IJEE C=CCCCCCN(C)C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1126397815 DFCGRBRWBKIAJN-GOSISDBHSA-N 444.572 4.784 30 10 IJEE C=C[C@@H](COC)NC(=O)c1cc(-c2ccc(C)cc2)nc2nc(N3CCCCC3)sc12 1128242761 FZOIKMIUTIDOLB-SFHVURJKSA-N 436.581 4.588 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(SC)n1-c1ccc(F)cc1)c1ccc(Br)cc1 1129729894 AFIDOMHMQUBLOP-QGZVFWFLSA-N 444.329 4.600 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)C(=O)OC(C)(C)C 1146589006 SVZXAFVGHIGSCJ-OAQYLSRUSA-N 448.897 4.694 30 10 IJEE C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1cccc(C#N)c1 1155244459 GLUXWYOYRVOYPP-HNNXBMFYSA-N 439.924 4.503 30 10 IJEE C=CCn1c(SCC[S@](=O)C(F)(F)F)nc2scc(-c3ccccc3)c2c1=O 1164600040 VBVKZTSMQNVDDO-NDEPHWFRSA-N 444.525 4.672 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCN(CC2CCCCC2)CC1 1167115542 FTVQJTXJECSSLC-IBGZPJMESA-N 442.673 4.804 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2Cc3ccc(C#N)cc3C2)cc1OCC 1179419188 HZCGRDLLPYHPIC-LJQANCHMSA-N 427.342 4.541 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nccn1-c1ccc(C)c(C)c1)c1ccccc1 1180150799 RADQZBWLODPPBF-LJAQVGFWSA-N 425.579 4.821 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(Br)cc1 1199713480 GRWUTCGWRCLLGI-QGZVFWFLSA-N 429.705 4.784 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2nc(Cc3ccccc3Br)cs2)cc1 1216110455 NKQROKIGLPACND-UHFFFAOYSA-N 426.339 4.799 30 10 IJEE Cc1ccc(NC(=O)C2(CNC(=O)NC3(c4cccc(C#N)c4)CC3)CCCC2)cc1C 1222538274 FVVFLLQBRKIAOE-UHFFFAOYSA-N 430.552 4.663 30 10 IJEE C=CCCC1(CNC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CCCC1 1230926072 DVVGBPPLAKHKQK-KRWDZBQOSA-N 429.552 4.705 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nnc(-c4ccc(Br)cc4Cl)o3)cc2C1=O 1261569763 SNKMLMJQRVNKBE-UHFFFAOYSA-N 444.672 4.602 30 10 IJEE C#CCSc1ccc(COC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1 1269315002 VYWHBRJKYFMUMD-FQEVSTJZSA-N 443.487 4.645 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1286516871 MMNXHQJUDXJZST-WNCULLNHSA-N 433.644 4.870 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)(C)CC1 1286543013 GIFCQRWKXBXBBI-UHFFFAOYSA-N 428.378 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC12CCOCC2 1286582474 BLCGHMYLXMGICW-GOSISDBHSA-N 430.980 4.730 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286584875 VFMNAEPYPYQZMF-SFTDATJTSA-N 432.616 4.848 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1286586118 WMNFOKNWEBJMNZ-HXUWFJFHSA-N 446.599 4.635 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](OC)C(C)(C)C)CC1 1286638693 JMYOSPAXRDQSGQ-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(SC)CCN(C)CC2)CC1 1286640525 JVMZWGVNLYRPKH-UHFFFAOYSA-N 432.037 4.582 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1286650988 OBNFHNHKIMFMQN-DXBBTUNJSA-N 430.637 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CC1CCC1 1286672193 IYDXMFFIFQDAKK-UHFFFAOYSA-N 437.636 4.681 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1286677562 FAPPJWPLAOVSND-GOSISDBHSA-N 447.624 4.616 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1286679640 SAWLDESMZFRPSE-IBGZPJMESA-N 447.612 4.694 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286685420 REKUJKYEXQGFSZ-IEBWSBKVSA-N 448.409 4.550 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1CC2(CCOCC2)C1 1286717918 PTZRJAOUJLRYMM-UHFFFAOYSA-N 449.368 4.676 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@@H]1C)C1CC1 1286732270 OSWOJNAEZIRYEY-QQMNAOGKSA-N 430.980 4.777 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CSCCS1 1286739372 ZRSFEJBWLIABHY-LJQANCHMSA-N 432.659 4.625 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC[C@@H](C)N1CCCCC1 1286746086 OGSBZKVSKKIHBF-VWNXMTODSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccc(F)cc1 1286748796 BMOISSLSLJRDDI-QZTJIDSGSA-N 442.560 4.643 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSC[C@@H]1C 1286796117 OVOONVXIFZQEFL-INIZCTEOSA-N 441.988 4.548 30 10 IJEE CCOc1cc(Br)c(CC(=O)Nc2cc(C#N)c(F)cc2F)cc1OCC 1288003822 DZGBPNNBKIZZOO-UHFFFAOYSA-N 439.256 4.578 30 10 IJEE C=CC1(CC(=O)N(C(C)C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CCCCC1 1288442192 LSXQCAJWDIFICE-QGZVFWFLSA-N 434.602 4.934 30 10 IJEE C=CCC[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1)c1ccccc1 1288733382 WLNQZZQJUSXCAG-VXKWHMMOSA-N 442.600 4.659 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3C23CCC3)cc1OC 1288907532 PFOPDMWELFYWLA-CSKARUKUSA-N 449.547 4.755 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(F)c1N)c1ccc2c(c1)OCCO2 1293125222 HTHCUZOJSNYQOV-UHFFFAOYSA-N 434.467 4.591 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 1294985544 SXXWVLQHRSLOPG-YJBOKZPZSA-N 446.523 4.611 30 10 IJEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)C1 1296917801 FAOYHMPELDYZKP-PSUMNZAUSA-N 437.588 4.559 30 10 IJEE C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1 1298244708 ANMDMJYZYLYJFC-OAHLLOKOSA-N 432.915 4.827 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](OCC=C)C1 1300342225 RIOZNSTZTXMWPF-NRFANRHFSA-N 447.608 4.962 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)S[C@H](C)C1 1300393700 KAEYUVKZFHGZCP-BETUJISGSA-N 425.421 4.513 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1300416721 IMQBLKHVGUHNHL-HNNXBMFYSA-N 428.631 4.572 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2sccc2C)CC1 1300691064 WGSXCAHDXGCBOH-UHFFFAOYSA-N 447.652 4.610 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCC[C@H](SC)C1 1300741260 QYFJYCPNTLFHBD-LEWJYISDSA-N 428.671 4.908 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(O)(CCC)CCC 1300788638 GYYQIWFEWHGDHX-HSZRJFAPSA-N 446.542 4.870 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N(CCc1cccc(F)c1)C1CC1 1300839233 DXPSRTBKCQHZNW-UHFFFAOYSA-N 430.325 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2ccccc2OC)C1 1300886395 XNSKJECFWBRQDE-ROKPMTFOSA-N 438.616 4.850 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CCC(C)C)C1CC1 1300946067 CQFRGHIPXLFEED-UHFFFAOYSA-N 434.588 4.827 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1301159856 HTOGJPJCCYKCDJ-UHFFFAOYSA-N 442.995 4.791 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC2(CCCCC2)C1 1301232190 WMMADSLQIDCTMC-UHFFFAOYSA-N 437.613 4.951 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1Cc1ccc(NC(C)=O)nc1 1301350222 TXPYSVAHXLBUCJ-QGZVFWFLSA-N 436.535 4.525 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCN(CC)C1 1301374946 HPBALQGDQDYBLN-OALUTQOASA-N 425.646 4.652 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1301438381 PKCSMAAHMFSXOG-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1CCc1cnn(-c2ccccc2)c1 1303063317 DKAFIYNOWVRDNK-UHFFFAOYSA-N 433.604 4.770 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C#N)c2)C1 1305017987 HFSJLMWALRNHNO-FQEVSTJZSA-N 436.648 4.885 30 10 IJEE C=C(C)[C@H](NCc1csc(CN2C(=O)c3ccccc3C2=O)n1)c1ccc(F)c(F)c1 1307700085 YRSSBEIYHGAMQG-NRFANRHFSA-N 439.487 4.625 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCN(c3ccccc3F)C2)cc1OC 1308355108 CLQBVHYFGCKDRL-KRWDZBQOSA-N 449.364 4.920 30 10 IJEE C=CCN(C(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1)C(C)C 1310233223 NYYBBUMPMZBJJS-HXUWFJFHSA-N 445.560 4.671 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(Br)cc1 1310285645 KMFCHXMQVNXOFS-INIZCTEOSA-N 445.317 4.527 30 10 IJEE C#CCN(C(=O)Nc1ncccc1SC)[C@H]1CCOc2ccc(Br)cc21 1310968321 MVGIOHSNZFOLAW-HNNXBMFYSA-N 432.343 4.557 30 10 IJEE CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 1311850503 BBGBEWVCJMJEJF-UHFFFAOYSA-N 448.464 4.526 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(Oc4ccccc4F)c3)CC2)cc1 1312956072 BDTYNOSQHFRCJX-UHFFFAOYSA-N 430.483 4.521 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)Cn3nc(C(F)F)cc3C3CC3)cc2F)c1 1352429620 DPNWNRKBQUHJKJ-UHFFFAOYSA-N 440.425 4.927 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC 1358049266 NGDKPEDYTJKYNG-UHFFFAOYSA-N 437.927 4.781 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1358934165 RYXVGOJHOUGXLV-RPWUZVMVSA-N 449.643 4.670 30 10 IJEE C#CCSCCn1c(N2CC=C(C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1359061501 DKEHOTHHVMHVAT-UHFFFAOYSA-N 446.542 4.813 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359154115 DVTVSBQAWPNRMH-UHFFFAOYSA-N 445.398 4.897 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC2(N(C)C)CCCCC2)CC1 1359181237 LRZRPQRHNCUSFS-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1359215209 XJAYIWSCNLALOR-WIYYLYMNSA-N 439.560 4.640 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCc1cccs1 1359255847 MLGYVFINKZPDKJ-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)cc1 1435977898 WJHNGNQTEGWRSQ-UHFFFAOYSA-N 445.306 4.836 30 10 IJEE Cc1cc(F)c(Br)cc1NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1436130182 YKJKQDSVTJFDFS-HNNXBMFYSA-N 442.329 4.812 30 10 IJEE CC(=O)c1c(C)cc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cc1C 1455280517 ADTJPESUNDOFBR-HSZRJFAPSA-N 447.535 4.851 30 10 IJEE C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)c2ccccc2N(Cc2ccccc2)C1=O 1457264814 GXKAVXDGMZHOSQ-LJQANCHMSA-N 441.556 4.866 30 10 IJEE C=CCOc1ccc(-c2nnc(SCCOc3ccc(C(=O)OC)cc3Cl)o2)cc1 1458996599 KJWNLCGWTAJOND-UHFFFAOYSA-N 446.912 4.913 30 10 IJEE Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1cc(F)cc(C#N)c1 1462168447 BQQHXRXXZZGSKF-UHFFFAOYSA-N 427.277 4.574 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCc1ccc(Cl)cc1 1463001688 QJVQMUQTCIPSMB-UHFFFAOYSA-N 446.769 4.802 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 1468936778 GBTBNEJNVYJEND-SIBVEZHUSA-N 434.399 4.641 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1)c1ccccc1 1469468358 LUNYSEOHSQWQES-QHCPKHFHSA-N 448.563 4.932 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC(C)(C)C)C(C)C)nc2sc3c(c2c1=O)CCCCC3 1472910007 UEKHBVCGAZFVGK-GOSISDBHSA-N 447.670 4.944 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H](C)CC(C)C)nc2sc3c(c2c1=O)CCCC3 1472931656 VMHRHHLUIKRGAN-OAHLLOKOSA-N 433.643 4.508 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cccc(I)c1)c1ccccc1 1475627128 BSIKLRGKBVSQBL-GOSISDBHSA-N 441.334 4.667 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2CC2(O)CCCCC2)cc1 1476041990 VHOGXUPWJIWRSQ-QHCPKHFHSA-N 439.600 4.973 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC1(c2ccc(Br)cc2)CCC1 1476222994 FBDWIIFLEZDKLB-UHFFFAOYSA-N 431.305 4.844 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 1477916139 TYYXNLOJEPVOSE-UHFFFAOYSA-N 434.536 4.718 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCC[C@@H]1C 1496748744 AKXUYMXXQAWBEJ-GHTZIAJQSA-N 448.615 4.673 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@H](F)C2)cc1 1502850601 CMCPNIVEMODPQI-MKXGPGLRSA-N 429.540 4.693 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@@H](F)C2)cc1 1502850602 CMCPNIVEMODPQI-NCXUSEDFSA-N 429.540 4.693 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)c1ccccn1 1507520747 QPQXJEPDDYZMLA-MRXNPFEDSA-N 438.373 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccccc1)C1CC1 1507520975 UFYZKHYGXVPMEK-HNAYVOBHSA-N 438.373 4.687 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507558429 XAJQLHUHYYBQOB-GIWBLDEGSA-N 437.632 4.757 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)C)C1 1507779425 NWOUSICROLLFAH-HZPDHXFCSA-N 437.357 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CC(F)(F)C1(OC)CCOCC1 1507813964 HEZKHLLSKDVHOW-UHFFFAOYSA-N 448.558 4.741 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1507900606 RNKGWQCOEXCHNK-HSZRJFAPSA-N 441.963 4.513 30 10 IJEE C=CCCCn1c(C)nnc1N1C[C@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1507941890 ABJFVLXHEORPLS-LRTDBIEQSA-N 433.915 4.649 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1507974324 AITZKLTUZUEWSK-VWLOTQADSA-N 426.605 4.933 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCc2cccnc21 1507975650 SLWTZYQZORARPK-OAQYLSRUSA-N 447.583 4.878 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1nc(C)c(C)s1 1508009259 YTGKZZFZKZRXGK-SFHVURJKSA-N 443.642 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@@H](C)C1 1508014008 UMXNOAJFLATZNZ-IRXDYDNUSA-N 431.378 4.701 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCSC[C@@H]1C 1508152878 TTYVUEHAGZYWDQ-KRWDZBQOSA-N 425.627 4.663 30 10 IJEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1508163058 UFRXPWIHCDOVEX-FQEVSTJZSA-N 426.630 4.568 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCC2(C)C)c1 1510582848 HQKAWZIJUCCGRZ-YADARESESA-N 425.552 4.742 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](SC)C(C)(C)C)C[C@@H](C)O1 1514137473 GZSZQTWGYNNXTI-NSISKUIASA-N 427.618 4.598 30 10 IJEE C#CC[C@]1(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CCCN1C(=O)OC(C)(C)C 1519339363 ZTFOBMRUYWUYIN-RUZDIDTESA-N 436.556 4.529 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)c1ccccc1 1526452939 QEZUYRGDDJZAQV-GOTSBHOMSA-N 438.568 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1C(F)(F)F 1527515170 HDZMDVWFLVLCDI-KRWDZBQOSA-N 437.393 4.921 30 10 IJEE C#CCOc1ccc(CNC(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1 1533419106 KIEPUPLFHRKWLB-QFIPXVFZSA-N 442.600 4.959 30 10 IJEE N#Cc1cc(NC(=O)c2cc(Br)cc3cccnc23)ccc1Br 1534575134 CDUUPWMAFXHZDG-UHFFFAOYSA-N 431.087 4.884 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1)c1ccc(Cl)cc1F 1535504925 OUBOWBDPDCDGDR-MRUHUIDDSA-N 426.919 4.836 30 10 IJEE CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1537703233 BHNHGGSZAZDROY-YJBOKZPZSA-N 441.984 4.942 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc2c(n1)CCCC2 1538970595 CUPKKCPZOHLVBP-PZJWPPBQSA-N 443.595 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OCC(C)C 1539035429 PBYXRMOLKODZIK-XKCSPQBFSA-N 438.616 4.738 30 10 IJEE C#Cc1ccc(NC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)c(Cl)c1 1539131653 WYFKQYYSCZBVBN-NRFANRHFSA-N 437.927 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(CC)CC 1539306364 WZQFGUVBPNNCCQ-JOCHJYFZSA-N 449.986 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)C1 1539637772 SVCZKGDXCKQLSU-NGYIFUPDSA-N 445.007 4.509 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539972033 YFHFXEPBHJHGOL-QFIPXVFZSA-N 426.605 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H](CC)N1CCc2ccccc2C1 1540164675 TWJCJANJNGJJTD-DEOSSOPVSA-N 442.611 4.664 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](SCC)C1 1540911741 ALRNITJMNYVNGJ-GOSISDBHSA-N 446.642 4.705 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCC[C@H](C)C1 1541106962 DDUYDLOXJUXFQT-JKSUJKDBSA-N 435.403 4.580 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCS2)cc1 1542509031 FIVAKAIOIKNRAT-HXUWFJFHSA-N 427.643 4.905 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CC1 1544630340 HREFKYYPCHFPAN-IBGZPJMESA-N 446.931 4.618 30 10 IJEE N#Cc1cc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c(F)cc1F 1544822828 DRPYSJQKRCZXRF-UHFFFAOYSA-N 425.395 4.537 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1558731228 UPPNUBKYZFAWRS-QFIPXVFZSA-N 438.593 4.766 30 10 IJEE C=CCCC1(CNc2ncnc3c2ncn3C2CN(C(=O)OC(C)(C)C)C2)CCCC1 1559234699 ASKTVCYGHNXSDX-UHFFFAOYSA-N 426.565 4.557 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 1563446266 BBDZEFMQRAFXPR-UHFFFAOYSA-N 426.649 4.675 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)c1ccccc1 1564397090 XFYIRSAVABZVNL-TZIWHRDSSA-N 447.501 4.617 30 10 IJEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(Nc3c(F)cccc3F)C[C@@H]1C)C2=O 1565538521 YFKTYKJHPJIPJJ-MLMJSJRWSA-N 449.837 4.554 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)CCC(=O)c1cc(Br)ccc1OC 1584124306 AHOBFRMGTNNBRE-UHFFFAOYSA-N 430.342 4.678 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 1584707801 FVXDFOBHNAVHSC-LJQANCHMSA-N 443.341 4.578 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)OCc2ccc(OCC(F)(F)F)nc2)c1 1585537083 HKHGSLTUEKOEOF-UHFFFAOYSA-N 442.393 4.830 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)c1nccs1 1587750154 SMFWMFIHERIIHL-LJQANCHMSA-N 445.596 4.631 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(OCC)c1 1588099769 YMLLNDXUUSVVQX-UHFFFAOYSA-N 444.604 4.795 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCSC1(C)C 1588186626 ZEKCDCIUFYMAIO-QFIPXVFZSA-N 432.637 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C)CC1 1589504660 IZJRKRVKJFIOPQ-YYDVJCTNSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1589544434 HFZQSGDJKHLJAJ-ILBGXUMGSA-N 431.584 4.623 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC1 1589567520 DRRMOIXFGNZNTJ-GBXCKJPGSA-N 438.616 4.982 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1594229865 VWTLYKNXNYYJLB-UHFFFAOYSA-N 442.489 4.707 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCc2cccnc2)CC1 1594438449 UIDUFYMFTMYLPL-UHFFFAOYSA-N 435.597 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1594492329 YOTTVBQLOUXXQS-UHFFFAOYSA-N 439.579 4.686 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1594497495 IBJHZEBFTKKONN-GOTSBHOMSA-N 438.616 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)o1 1594511035 JKZUQKFLPOXJPZ-UHFFFAOYSA-N 444.377 4.858 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1594544701 MQNPTBAKTRSEKD-RBBKRZOGSA-N 439.604 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN(C)C1CCCCC1 1594906964 MXUGXRFRKZLLPY-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCC(C)(C)C2)C1 1595682118 XAUGDUMGPJSYOO-OAQYLSRUSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(Cc3ccc(F)cc3)CC2)C1 1595729049 ITNNNGSBOLBKSM-NRFANRHFSA-N 426.580 4.810 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2NCCC)c1 1596040529 MZKFTKLASQDYKR-UHFFFAOYSA-N 438.471 4.577 30 10 IJEE CCOc1cc(Cn2c(C3CCC3)nnc2N2CCC(CC#N)CC2)ccc1OC(F)F 1616318584 GNIRAWRWVHUTPN-UHFFFAOYSA-N 445.514 4.724 30 10 IJEE C=C[C@@H](C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccccc1 1617479439 VCUGEFTYZCLFCS-OAHLLOKOSA-N 427.291 4.944 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)s1 1618322813 PPGUKNYMWUVXDA-MRXNPFEDSA-N 445.013 4.828 30 10 IJEE CC[C@@H](CO)N(C1CCC(C(C)(C)C)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1620449995 GRRJULVXBXBQCZ-FULISQOKSA-N 425.617 4.731 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)c1 1622214909 GPEAKFMRSALJPE-LJQANCHMSA-N 431.355 4.627 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CN(C(=O)OC(C)(C)C)C1 1626783413 ILOTUYRVFQHOFE-UHFFFAOYSA-N 447.535 4.889 30 10 IJEE C#C[C@@H](NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O)c1ccc(F)cc1 1628258424 XUDYMFNZIJFPPU-QGZVFWFLSA-N 428.872 4.603 30 10 IJEE CCC[C@@H](C(=O)N(C)C[C@@H](C)C#N)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1630846914 HLQJHPGDWZSPAP-UUOWRZLLSA-N 433.552 4.654 30 10 IJEE C=CC1(CC(=O)N2CCCC[C@@H]2[C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CCCCC1 1631697278 CUXSKJVEVMJNNA-NJDAHSKKSA-N 434.621 4.966 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1)c1ccccc1 1633416975 IHWIQNNRYNEEKG-QPPBQGQZSA-N 449.595 4.578 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1F 1636572346 ZTNNVFQAZGKKJU-DIFFPNOSSA-N 433.270 4.917 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1637535478 NCQFQVCFSCWNBR-UHFFFAOYSA-N 441.597 4.939 30 10 IJEE C=CCn1c(Sc2nc(N(C)C)cc(C(F)(F)F)n2)nnc1-c1cccc(Cl)c1 1639673363 LTRAVCGONUXPIF-UHFFFAOYSA-N 440.882 4.811 30 10 IJEE C=CC[C@H]1N(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3O)n2)CCCC1(C)C 1639772521 NLDBDIWFRLARAI-LJQANCHMSA-N 427.570 4.545 30 10 IJEE C=CCn1c(Sc2nccc(OCCC)n2)nnc1-c1ccc(Br)cc1 1642012859 RFJFEIBFOYNELG-UHFFFAOYSA-N 432.347 4.624 30 10 IJEE Cc1cc(F)ccc1C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 1643245511 GJLXHPMBEFYWJU-UHFFFAOYSA-N 448.542 4.884 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CN2CCCCCC2)cs1 1650620594 JNWJKNPKBGTVPR-SFHVURJKSA-N 436.622 4.707 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)c1ccccc1 1653396355 DZBGAPWQUNQLPL-PMERELPUSA-N 426.538 4.791 30 10 IJEE C=C(C)CN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1cnn(C(C)C)c1 1653581666 QSNINXZGSUEGDP-GOSISDBHSA-N 439.629 4.929 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1655044452 DHMYVCGWVGDDDF-OZXSUGGESA-N 442.607 4.939 30 10 IJEE CCOC(=O)C[C@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1658381745 FWFZHNCZVXTQRD-DLBZAZTESA-N 445.629 4.517 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1 1665243527 UWXVTJRTVATAAJ-CVDCTZTESA-N 441.597 4.936 30 10 IJEE CCCOc1ccc(O[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 1667224066 GNBRTPJCBBEHBL-NHCUHLMSSA-N 448.972 4.669 30 10 IJEE O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@H](CO)c1ccccc1C(F)(F)F 1668598803 AQXGYPSNBADEOP-CQSZACIVSA-N 440.315 4.641 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)CCC1 1669629566 GMPRWWSHERZAPX-UHFFFAOYSA-N 434.471 4.565 30 10 IJEE C#CCN(C(=O)Nc1ccc2nc(CC)sc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1671247806 RPBLHOCBKIZCBL-UHFFFAOYSA-N 442.585 4.725 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1672217778 GXCDNJMIAOOQBF-SFHVURJKSA-N 425.330 4.944 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(Br)cc1 1677381305 VFONWWBAKLEBEF-GIVPXCGWSA-N 427.342 4.591 30 10 IJEE C=CCCCNC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1682055064 PTNJDYGYGQPELZ-IBGZPJMESA-N 429.561 4.545 30 10 IJEE C#CCC1(NC(=O)NCC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCCCC1 1683401759 GJWFZTKTINWLFQ-NRFANRHFSA-N 427.589 4.538 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](c1cccs1)N(C)C 1689951141 MRPSUVBANJCPOM-GOSISDBHSA-N 439.654 4.709 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCCN1CCCC 1689951194 OEMKIEZFCBMTAT-FPOVZHCZSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cn2ccc(C)cc2n1 1690058889 CZMMULRUHNVPGA-GOSISDBHSA-N 448.958 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1C(C)C 1690241084 OIBZWMGOCWGWBG-JZWVFAODSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCc1cccs1 1690243542 LZZPFIDLGVTDOA-AVRDEDQJSA-N 438.597 4.675 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[C@@H]2C)CC1 1690374029 MSIJFXMOTLADLY-PZJWPPBQSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CCC(N)=O)CC1 1690426366 LRAZDNUUDPXALS-UHFFFAOYSA-N 429.996 4.683 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1690473815 IHEMHEMUFPZLBX-SFHVURJKSA-N 444.023 4.943 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1690511150 RAHVTKZBMCABCI-MOPGFXCFSA-N 432.659 4.802 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCC(C)(F)F 1690615860 VFFDQGHDPTUYCT-UHFFFAOYSA-N 447.299 4.531 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1c1ccco1 1690643773 VJXWAUWLGIMUPI-GOSISDBHSA-N 427.549 4.513 30 10 IJEE CC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)CCCC1 1692874046 DSBJUGBJYODGFN-UHFFFAOYSA-N 431.382 4.746 30 10 IJEE Cc1cccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)n1 1693204499 BLUSWPLOTIPTHM-TZIWHRDSSA-N 444.583 4.690 30 10 IJEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1693400059 FLTXRFNIHGQPJZ-SFHVURJKSA-N 431.588 4.620 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCOc2ccccc21 1705506113 RCYPJJJEZHMPRA-MHXAIHSWSA-N 436.600 4.611 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC1(CC)CCOCC1 1705625673 SGLQNCUDGZNVMZ-JOCHJYFZSA-N 440.563 4.505 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(Cc2cccs2)CC1 1705723129 BCDWLIAHLGIEDK-UHFFFAOYSA-N 444.004 4.567 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)CC[C@H]1C 1705733389 SAUFWWBBFGKHAT-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(F)(F)Br)CC1 1705762575 CSOCIDVMKMPAGV-CYBMUJFWSA-N 445.283 4.701 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1705770229 WPPNYIAQDFTMIM-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2cccn2)CC1 1705772186 NCGUHCHVJHBCGV-UHFFFAOYSA-N 428.993 4.667 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1705797218 RRULALPDQXPJLL-QFIPXVFZSA-N 431.584 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCc2oncc2C1 1705802254 FSEUJPWMGHBZDM-UHFFFAOYSA-N 439.585 4.732 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@@](C)(O)C1CCCCC1 1705860513 JNGBRBHLLBISPU-AREMUKBSSA-N 433.600 4.626 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1ccc(Cl)cc1OC 1705881030 YSFJRSXFJXUVSK-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 1706952040 AASGMVLLXZMGRA-QZTJIDSGSA-N 433.478 4.726 30 10 IJEE C[C@H]1CCCC[C@H]1OCCn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1 1708044548 CZXNVLYGKKBGQI-PGRDOPGGSA-N 425.552 4.810 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1scnc1C 1722309984 GWSDMHGTXJDIOS-UHFFFAOYSA-N 431.569 4.540 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1722319731 QSNWSDHGEKPIGL-UHFFFAOYSA-N 447.608 4.537 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(Br)s1 1722329210 FVHHUZSYQUBWBS-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)SC 1722394863 IZAKGJFYRGGLGY-QGZVFWFLSA-N 435.622 4.591 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722616398 ROCIJNACIFBSER-MRXNPFEDSA-N 441.929 4.561 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCN(C)C1CCCCC1 1722638027 YFRQPEGJUJTZTC-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1722642192 TZEWIMQUKXNNHM-SFTDATJTSA-N 434.632 4.731 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C(C)(C)C 1722655201 ITPWSBCICADCOL-QHCPKHFHSA-N 444.583 4.774 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 1722740674 YNPGLHXTDANTSW-MOPGFXCFSA-N 449.665 4.752 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1723365783 GWLBXXUCZUAKEU-QFIPXVFZSA-N 449.521 4.783 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(OC)CC1)C(C)C 1728737216 GQGZGDANEBKMLY-WIOPSUGQSA-N 439.604 4.663 30 10 IJEE CSC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CC#N 1731022778 GGPDBJMECRRERI-GFCCVEGCSA-N 440.386 4.727 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccc(C)o1 1740715636 CVLAKMWJZPMYJT-UHFFFAOYSA-N 433.537 4.504 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC=C(C)CC1 1740755326 JRGOEWOEGFHTLA-UTKZUKDTSA-N 428.964 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)o1 1740760325 IDZSBSPTUJSKAO-LPHOPBHVSA-N 449.393 4.909 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCNC(=O)C(C)C 1740778123 IKPHYFZPRPOMHL-UHFFFAOYSA-N 431.993 4.598 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccccc2)C1 1740804110 RMWRMRMMMVUIPO-INIZCTEOSA-N 446.780 4.793 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)c2cccs2)CC1 1740820353 ABXOAJGCTODFSU-JOCHJYFZSA-N 444.988 4.733 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC(=O)NC2CCCCC2)CC1 1740825553 XAYLVAOWQMYDKR-HSZRJFAPSA-N 435.616 4.815 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@](C)(O)C2CCCCC2)CC1 1740828003 SMTREPXMUMCRES-SANMLTNESA-N 438.616 4.962 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1740829286 RBORCWLAARMCGI-RTBURBONSA-N 430.980 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1CC 1740847970 YVXNAXJIGZJBHH-GHTZIAJQSA-N 448.615 4.902 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1740848954 VLKOHJKBPBYZSG-ZRBLBEILSA-N 438.616 4.988 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740883040 GXVPXUHJAQEBMW-WIYYLYMNSA-N 435.399 4.866 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCc1scnc1C)C1CC1 1740908793 LKCRBOABFRCMLZ-UHFFFAOYSA-N 444.402 4.870 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nc(C)c(C)s1)C1CC1 1740909118 YCXOUZPJQIFNMC-UHFFFAOYSA-N 439.585 4.629 30 10 IJEE C=CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCSC1(C)C)C1CC1 1740912839 UMKNBVCNMPQQJD-IBGZPJMESA-N 426.630 4.758 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H](O)C1 1740920584 RSDUAYBPQHFZLL-IFMALSPDSA-N 426.580 4.894 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC1(OC)CCC(C)CC1 1740939252 SYADINLPCZMDNX-UHFFFAOYSA-N 449.599 4.727 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(Cl)s2)C1 1740981266 MSXXAKFGHPIDLH-KRWDZBQOSA-N 432.952 4.553 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1741003020 VRLRLTSZLYTNFT-IBGZPJMESA-N 436.547 4.799 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccccc1Cl)N(C)C 1741804363 BBYYBJFQOUAMKA-UWJYYQICSA-N 429.012 4.705 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(F)(F)F)cc1 1746838360 DOIHUFBKJMZVQG-QRWLVFNGSA-N 437.466 4.509 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCCCC1 1748639728 LIRRDDFCXNHSCB-RBBKRZOGSA-N 437.632 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cc(COC(C)(C)C)on1 1748650695 CJWPEDMLUZXXEV-MRXNPFEDSA-N 433.512 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(OC)cc1 1748651644 PJHOMDBPISSVCJ-MSOLQXFVSA-N 434.609 4.841 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCCC1(C)C 1748770430 BFAVLOQJUYSCNX-UUOWRZLLSA-N 445.007 4.699 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1CCC 1748834751 VPFJGPMTXUGEMO-IBGZPJMESA-N 444.410 4.589 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1ncc(CC)s1 1748944499 YZZZMHNFWMZIGU-UHFFFAOYSA-N 435.528 4.693 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1749027900 VYZADFWYOLKXMV-UTKZUKDTSA-N 436.581 4.809 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1749242393 HSBFRPYNSAJGHN-FQEVSTJZSA-N 425.577 4.561 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CCCOC2)C1 1749414710 GGQCAHURVVSROF-OAQYLSRUSA-N 431.378 4.681 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1749448684 AMASJZTZJUKQAM-UHFFFAOYSA-N 430.980 4.588 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1760101500 QNRLGVUYPAXRMD-ILZDJORESA-N 445.405 4.617 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(CCOCC)CCC1 1760215308 WCMRLGOZPIYLKU-UHFFFAOYSA-N 442.966 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC2(CCCCC2)O1 1760339649 PQHKBCHGRJIYBD-HXUWFJFHSA-N 429.634 4.918 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1cccs1 1760357544 DHRDFTSDUILDFI-FQEVSTJZSA-N 438.597 4.873 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1760378341 HJAGZJACNVSRGJ-KRWDZBQOSA-N 432.996 4.911 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1760403103 GKAZOHKXZTYBLY-QFIPXVFZSA-N 445.007 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccs2)CC1 1760408180 DVSSWAQOBJMMLJ-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCS[C@H](CC)C1)c1ccccc1 1760417689 HACJBBGZYFGVIP-BHIFYINESA-N 426.630 4.864 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1760434473 BTTVAFWXVXAWJG-UHFFFAOYSA-N 425.968 4.560 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OCC 1760487161 KUCBEQUJQZVMAV-FQEVSTJZSA-N 438.597 4.873 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCC[C@@H]2CC)C1 1760538079 BIDVZGLXMWRVDC-FCHUYYIVSA-N 444.023 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2=CCCCC2)C1 1760540731 NTHKTFOQLGCKJI-GOSISDBHSA-N 443.389 4.989 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1csc([C@H](C)OC)n1 1763872675 HVRCRYSIKXTDKJ-SJORKVTESA-N 438.601 4.901 30 10 IJEE CCOC1(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1767497871 HPWGFRWNVDQUQA-NZQKXSOJSA-N 425.552 4.611 30 10 IJEE Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4sc5c(c4C#N)CCC5)cc3C2=O)c1C 1859480093 UAQZVKQCVZKYRU-UHFFFAOYSA-N 441.512 4.778 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3OC)nc2C)c(C#N)c1C 1859757954 TZLITIXCCZWMMM-UHFFFAOYSA-N 435.505 4.736 30 10 IJEE C=CCNC(=O)[C@H](CCC)NC(=O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1 1861423238 KNWDMIIKQQDFHG-QFIPXVFZSA-N 426.520 4.584 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1 1862429129 GMOWUGPTZJHQRQ-OAQYLSRUSA-N 426.944 4.650 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 1862441581 AHGWFSHVKKHJMC-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(CC)cc1 1862444567 BAEBDXOFMSIXGV-OAQYLSRUSA-N 427.928 4.907 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1862445761 CYIVKJUHADFNRS-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1C(=O)O)c1cccc(Cl)c1 1862447958 ZNXUIHIHNDHEGN-IBGZPJMESA-N 425.868 4.559 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 1862448014 DGAROICQSWNSKN-IBGZPJMESA-N 426.856 4.769 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OCC)c1 1862493464 QDCBDCDKMMNHGR-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862510509 AMZFYOTZAYUBGQ-HXPMCKFVSA-N 447.890 4.879 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(Cl)c2)cc1 1862515518 CIUCPYYQLTXERX-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 1862532637 IKAPBGRWWWNHPF-DEOSSOPVSA-N 441.483 4.756 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCCCCO 1862545264 VTGOWMMGJZVPAR-DEOSSOPVSA-N 433.548 4.615 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862558200 QPDBUXRVMYZQHO-IVZQSRNASA-N 443.459 4.517 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1OC 1862572082 VWLYGJBZIQONIW-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862593444 TXFSJCQSSQPCBS-JOCHJYFZSA-N 437.536 4.695 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1c(Cl)cccc1Cl 1862611414 KYBUTRGGPYICJD-IBGZPJMESA-N 448.302 4.751 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1F 1862638738 JBMSMUCFKJDLCK-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 1862648643 HBEIWTOUXCSSHG-XMMPIXPASA-N 428.532 4.760 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(F)cccc1Cl 1862652632 KIIBPHPEZKKLMS-YEJXKQKISA-N 439.870 4.591 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc(Cl)c1O 1862672033 XTFYELIZKRXSSQ-FQEVSTJZSA-N 441.911 4.918 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862678587 OXLMYMKAJSDNPB-YFZFPPMRSA-N 437.467 4.681 30 10 IJEE CN(C)c1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1863136248 DZMMESQJDJLELW-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(OCC)cc2)C1=O 1863569454 VZTVEKANWLOJTP-UHFFFAOYSA-N 435.568 4.711 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCOC(C)C)C1=O 1863759287 KYZIYJZJXASFBO-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@@H]1c1cccc2ccccc12 1864173163 XGJDOIMUVAIHRE-QFIPXVFZSA-N 444.579 4.642 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(C(C)C)cc1 1864206200 PITNSXOBIQSNRW-NRFANRHFSA-N 442.563 4.690 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1ccc(Cl)cc1C 1871022249 GVPUNRHPJZLKPY-UHFFFAOYSA-N 444.959 4.863 30 10 IJEE CCN(CC)CCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(CC)CC)cc1)C3=O 1871348417 DQMJGNLNQTZKTF-UQQQWYQISA-N 449.595 4.643 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc(C)c2C1=O 1871370732 BOZMPMJYBRJZRT-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871422405 ZKIOCSKHXQQEDI-XKZIYDEJSA-N 438.476 4.842 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872010726 RFTIKQXPNOUZNK-JOCHJYFZSA-N 428.598 4.968 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)CC1=O 1872996750 MFPHTMWPYGSRRJ-BWKNWUBXSA-N 439.575 4.768 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(OC)cc(OC)c3)c(=O)oc2c1 1873932370 ILBJZWWKIBDDRF-UHFFFAOYSA-N 437.492 4.645 30 10 IJEE COc1ccc(N2C[C@@H](c3nnc(SC)n3/N=C/c3ccc(C(C)C)cc3)CC2=O)cc1 1874199320 KZCBJSFRIAXGFA-CPUXBYDOSA-N 449.580 4.535 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(OCC)cc1 1874261096 HZCXKEWBNPLFKV-ZMOGYAJESA-N 430.480 4.694 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(O)c(OC)c1 1874316864 OCEQEWBXBAYZAC-BUVRLJJBSA-N 438.553 4.554 30 10 IJEE CCCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCCO)cc1 1874343449 RDOKDAYBFIVSIO-LFVJCYFKSA-N 444.988 4.668 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874366609 LMCXIUMFGCDSHV-WYMPLXKRSA-N 448.379 4.752 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1 1874437268 SLGADXYAZSQFCP-AFUMVMLFSA-N 440.544 4.967 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccc1Cl 1874438048 HPNXGOWDJXGLMT-SSDVNMTOSA-N 449.005 4.590 30 10 IJEE Cc1ccccc1CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc(Cl)ccc1O 1874442489 DBNXRHFFNYNOCV-AOOMUMSASA-N 428.945 4.972 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)ccc1O 1874442738 JXVPCZJLQZDVTE-NZYROCMPSA-N 442.516 4.548 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2F)cc1C 1874488778 JHHAOHZLIXQOLU-DHRITJCHSA-N 439.560 4.846 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1F 1874707151 QZVCPYWFXLCREU-JXMROGBWSA-N 436.435 4.967 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCCOC)c(OC)c2)cc1 1875107759 HOZBEIMHFLLPBQ-UKTHLTGXSA-N 426.509 4.502 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875140539 LLCAHXLNKOUGQB-BQYQJAHWSA-N 437.370 4.974 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2ccccc2OCc2ccccc2)C3)OC1(C)C 1879730199 KSSNYPAPCKZOPL-FNZWTVRRSA-N 433.357 4.964 30 10 IJEE CN(C)CC#CC1CCN(C(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1 1891355245 BJTBDSUYAZVZRM-UHFFFAOYSA-N 448.010 4.689 30 10 IJEE Cc1ccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1C#N 1902371924 OQRBYCIRFNSRND-UHFFFAOYSA-N 437.499 4.877 30 10 IJEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912155985 RWEGADDTUUBASB-OAQYLSRUSA-N 436.557 4.853 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C#N)(CNC(=O)OC(C)(C)C)C2CC2)cc1 1944404485 ADJUPRGVNFEYET-HSZRJFAPSA-N 431.533 4.634 30 10 IJEE C=CCN(C[C@@H](O)Cc1cc(Br)ccc1Br)C(=O)OC(C)(C)C 1982457758 NLFKDIFNLYQNEE-AWEZNQCLSA-N 449.183 4.538 30 10 IJEE CCN[C@@H](CC#CC1CCCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2035456300 HSSUOSNGYLYSKR-VWLOTQADSA-N 441.660 4.965 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NC 2041201050 PJMBHBDXAYVBFH-CVEARBPZSA-N 429.786 4.540 30 10 IJEE CC1(C)OB(c2ccc(Cl)cc2NC(=O)C2CC(OCc3ccccc3)C2)OC1(C)C 2042208068 WRVHSMALWGXHSX-UHFFFAOYSA-N 441.764 4.573 30 10 IJEE C#Cc1cccc(N(CC)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 2059473042 OIHVYLKBMGCTQT-CVDCTZTESA-N 436.552 4.519 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2102882903 SKZUUMDUBDWCMZ-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE C[C@@H]1C[C@@H](Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)C1 2105990953 DMUQRKQNYMJILG-OCCSQVGLSA-N 426.330 4.907 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)c(F)c1 2142154543 BXAUUPUKINZSFW-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CC1(C)CC[C@H](C(=O)Nc2cc(Br)ccc2C#N)N(C(=O)OC(C)(C)C)C1 2181106006 QQIVYLSYXIBCHH-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)ccc1Br 2184352166 BGMMLVUDAANCCF-INIZCTEOSA-N 436.350 4.950 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CCN2c1ccc(C#N)c(Br)c1F 2197339681 KUHZIMYVFMYTFY-XOBRGWDASA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CCCC12CCC(Oc1cc(Br)cnc1C#N)CC2 2202266390 OCQCLSCYVGTBGN-UHFFFAOYSA-N 436.350 4.807 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2235723487 UFGNTDFSRHNLQB-IEBWSBKVSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C12CCC(CC1)N(C(=O)OC(C)(C)C)C2 2235748006 VOCMCENLGJSDTJ-OZWAEMERSA-N 433.390 4.568 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(NC(=O)OC(C)(C)C)nc1 2262206229 NZISYOKTGAIESC-JOCHJYFZSA-N 442.512 4.734 30 10 IJEE N#Cc1ccc(NCCc2cccc(I)c2)c(Br)c1 2273803543 UWXVVMHXBOROCY-UHFFFAOYSA-N 427.083 4.580 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@H](C#N)CC12CC2 2288841979 IGSKSZNFCSPQHD-ZDUSSCGKSA-N 434.334 4.704 30 10 IJEE COc1ccc(C=CC(=O)c2cnn(C)c2)cc1COc1ccc(Br)cc1 2294893553 WLGWAHUNUBLGHC-UHFFFAOYSA-N 427.298 4.666 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2296284465 RAQYYWVXNGJIFX-LSTHTHJFSA-N 435.406 4.672 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2 2296297288 XDUZKNOVNZJHQQ-XTWGIRIWSA-N 433.390 4.616 30 10 IJEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)Nc1ccc(C)c(C)c1 2297650006 GVEKAPZRNDJEJD-YLJYHZDGSA-N 431.458 4.531 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317345761 YPFIFSHPZGZSPP-ZWKOTPCHSA-N 430.354 4.551 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2322904437 QAAVNGVSMSIWRW-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2323854310 JDOVKYHKVWJRCC-UHFFFAOYSA-N 443.411 4.995 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2324081024 QCGFUSMDAFVYEA-UHFFFAOYSA-N 426.310 4.945 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)cc1 2326661011 WJPDGFGJLPGASB-UHFFFAOYSA-N 445.548 4.825 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccco2)cc1 2328571774 VTTZEDKGEBEIGH-UHFFFAOYSA-N 436.512 4.979 30 10 IJEE CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(Br)cc1 2328624523 XANIFMYIDGXDLQ-UHFFFAOYSA-N 445.386 4.829 30 10 IJEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1cn(C)c2ccccc12 2328699741 RCLOQELZRYHAIS-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE CCC[C@@H](CNC(=O)OC(C)(C)C)N[C@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338519446 PZJBFDFSEVXCCM-LEWJYISDSA-N 446.441 4.720 30 10 IJEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 2339535773 OGNKMEIDYMOBRS-UHFFFAOYSA-N 443.397 4.562 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(Br)c(C#N)cc2F)CC1 2340139033 RNKHHPYQALSIAL-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CCCCCCC[C@@](C)(N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F)C(=O)O 2378204112 XCAQBQJMDPTZTD-FXAWDEMLSA-N 432.483 4.637 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)c3ccc(OC)c(OC)c3)c1)C2=O 8823871 GSTAGJIBQSFMEJ-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE Cc1ccc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2cccc(Cl)c2)cc1F 32973626 BEMDZUUODGFJTR-UHFFFAOYSA-N 441.938 4.578 30 10 IJEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccccc1C 34720907 SBEYUYDWSPZKGU-UHFFFAOYSA-N 431.536 4.879 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)cc(C)c3C2=O)c1 41292819 HHYOAMUEYCKUJN-RMORIDSASA-N 446.455 4.856 30 10 IJEE CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(C)c3)S2)c1 58947090 XJPPHOQNOJGBLT-KHUIZHDGSA-N 425.554 4.682 30 10 IJEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2)n1 59466580 GKQQBYDUPHJJPO-SSDVNMTOSA-N 435.336 4.952 30 10 IJEE CCN(C)C(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59816590 VLQVGPFGKYDVQY-BGHCKBSUSA-N 432.553 4.516 30 10 IJEE CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(Cl)c3)S2)c1 100248439 ZSFLOYFFJLURCM-QAYQYMSWSA-N 431.945 4.637 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1 102715711 NAGQHJUKYSFJON-VFJWVMJUSA-N 432.476 4.707 30 10 IJEE C=CCOC[C@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C 104999497 GHADVQLYUVMBMH-JOCHJYFZSA-N 429.605 4.598 30 10 IJEE CCOc1ccccc1/C=C1/Oc2cc(OC(=O)c3c(OC)cccc3OC)ccc2C1=O 110521929 CSCMOUPEKXHTAT-OEAKJJBVSA-N 446.455 4.938 30 10 IJEE CCCCCCOc1c(OC)cc(/C=N\n2c(S)nnc2-c2ccco2)cc1[N+](=O)[O-] 169913351 KQNMDKCRPATPAO-BKUYFWCQSA-N 445.501 4.585 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(O)cc2)c1 169957587 BUFNMPAPTYXNFV-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1 170001277 BRODJQVBSYWOJT-OAQYLSRUSA-N 433.895 4.584 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2cccnc2)cc1 170014235 CUWJAYIKFGYVAK-JOCHJYFZSA-N 438.487 4.612 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140055 KXGNSQHIDMOQPG-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1c[nH]c2ccccc12 170256008 WJCCSJAUVXBTOX-HSZRJFAPSA-N 448.519 4.954 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265858 YUMHWCDSDZWVBH-XXBNENTESA-N 431.488 4.753 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OC)c(O)c1 170322571 MZEYQEYPCWHUHH-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE C=C[C@H]1c2cc(OC)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)c1ccccc1 248007344 HKRFSMQWEVNGKI-URXFXBBRSA-N 433.529 4.734 30 10 IJEE CCN(CC)c1c(/C=N/Nc2nnc(SCCC(C)C)[nH]2)c(C)nn1-c1ccccc1 253561579 CFRXZSBKAGJLGV-HZHRSRAPSA-N 440.621 4.729 30 10 IJEE C=CCn1nnc(CSc2ccc(F)cc2)c1C(=O)Nc1ccc(Br)cc1 334163050 VGHWHWJIUWSRCZ-UHFFFAOYSA-N 447.333 4.910 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1OC)NCC 407006323 WYUMFJGNFHFSTR-ZWKOTPCHSA-N 441.410 4.838 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCOc2c(Br)cccc21 409859008 LRSMTYNHQKIUQJ-KBXCAEBGSA-N 435.387 4.527 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccnc2)cc(Cl)c1OC 526608817 JPLXJCJEWMDHLS-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE CCN(C1=C(SCc2ccco2)C(=O)N(c2cccc(C#N)c2)C1=O)c1ccccc1 526693334 LHDNSMMIOOMLET-UHFFFAOYSA-N 429.501 4.696 30 10 IJEE C=C(C)Cn1c(S[C@@H](C(=O)OC)c2c(F)cccc2Cl)nnc1-c1ccncc1 544082407 IITWKTALEZGONA-QGZVFWFLSA-N 432.908 4.715 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCO1 549607959 MCAHHPOJQAWHQV-NRFANRHFSA-N 440.551 4.514 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(Oc2ncccc2F)CC1 549655035 LFXVUEUYINQYNV-UHFFFAOYSA-N 446.530 4.595 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 555263434 BSRCUCRIYOHTPO-DEOSSOPVSA-N 443.551 4.513 30 10 IJEE N#CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 586126977 VFQITRSNXHNBFN-UHFFFAOYSA-N 441.350 4.753 30 10 IJEE Cc1ccc(OCCCC[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 586352201 TVELNBMCFPRBIL-ZOKDDAQRSA-N 444.622 4.599 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 687755400 NOQAHWQYKXJJOZ-AREMUKBSSA-N 426.472 4.787 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(C)ccc(Br)c1F 721197452 YDKGTKMWGORXGU-YJBOKZPZSA-N 427.358 4.854 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1)c1ccncc1 734681782 ZDSSMPRNNWCCCC-HKBOAZHASA-N 428.577 4.520 30 10 IJEE Cn1c(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1-c1ccccc1 744017169 ZMUOAPJFVBOYLQ-MRXNPFEDSA-N 428.517 4.771 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 745548672 ZSXCTFGJZRSXKE-UHFFFAOYSA-N 442.777 4.710 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 767203570 XSFRPWGEYAZDJX-UHFFFAOYSA-N 443.421 4.708 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1nc(C(F)(F)F)cs1 767381435 XOHONOAPKGMSRY-UHFFFAOYSA-N 432.353 4.869 30 10 IJEE N#Cc1ccsc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 771663679 VKRRYBYPYBXTTF-LJQANCHMSA-N 428.460 4.597 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 800630596 BGPUFZNWJLWAFL-JOCHJYFZSA-N 434.561 4.568 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 800783184 QABLJTWNKFOKPM-RDJZCZTQSA-N 431.968 4.524 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)c2)s1 804681700 BZSLXNAVXICOJN-QHCPKHFHSA-N 447.535 4.700 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 914537978 HKIAHKQZKCZINO-QGZVFWFLSA-N 449.548 4.659 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)cc1F 1084541885 UKLIWFBTLHXYTJ-UHFFFAOYSA-N 434.500 4.582 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N(Cc2cccc(Br)c2)CC2CC2)cc1 1128680937 HXKIYENYIUNTPE-JOCHJYFZSA-N 438.369 4.728 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)cc1OC 1131723676 BEIDJQQDIUBZQH-IVEQORNPSA-N 442.943 4.790 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC 1136574724 ZVRUTOWRPSBIMT-SONCPKABSA-N 440.971 4.878 30 10 IJEE C#CCCCCNC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1150711202 JFKZMIBQYKPAEU-OAQYLSRUSA-N 444.575 4.957 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1156734809 IORXNRNCNRUXTB-UHFFFAOYSA-N 438.524 4.845 30 10 IJEE Cc1ccc(-n2c(SCC(=O)Nc3ccc(C#N)cc3)nnc2-c2cccs2)cc1 1165768406 GCWLAKSRXWZDQZ-UHFFFAOYSA-N 431.546 4.907 30 10 IJEE CCC1(CC)[C@@H](OC)C[C@H]1N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1167765642 GVEOQKVEHKELAT-YADHBBJMSA-N 440.563 4.569 30 10 IJEE C/C(=C\c1ccccc1OC(F)F)CNc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1202638703 QAFHKOYLKZQUAD-ORUFVBLPSA-N 449.523 4.616 30 10 IJEE COC(=O)[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)Cc2ccccc21 1214602317 DFJKUCOGYDGRPV-RPWUZVMVSA-N 425.488 4.646 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CC[C@]4(CCCCN4C(=O)OC(C)(C)C)C3)cc21 1220204374 LBCUADZFHXPQGV-XMMPIXPASA-N 439.560 4.620 30 10 IJEE C=C(C)COCCNC(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 1223738497 JYPYQXCQBTZYHP-UHFFFAOYSA-N 439.625 4.879 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 1251384422 SIODSADHXIQEKW-AUSIDOKSSA-N 439.531 4.597 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CC(C)(C)OC1(C)C)[C@H]1CCOc2ccc(Br)cc21 1255813544 PTLVVXRENBUIQS-YJBOKZPZSA-N 449.389 4.511 30 10 IJEE C=CCC(C)(C)CNC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 1273994262 JMOOJVSBCQTCGH-UHFFFAOYSA-N 429.358 4.962 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCCN1CCC 1286278803 GLSGRHSUKBMKID-SVFBPWRDSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(CSC)cc1 1286306076 QNURALIDQHSJAB-IOMROCGXSA-N 426.630 4.566 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1286314961 AODKJZTVWHHTFM-GHTZIAJQSA-N 430.593 4.939 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286318767 WEDFWLCOORUKCU-LQWHRVPQSA-N 430.980 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1(CC(C)C)CC1 1286422223 WQOGUYAMEXVUQB-UHFFFAOYSA-N 439.401 4.997 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C)CC1 1286500384 WTXMMVHIMRWCDJ-MRXNPFEDSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)OC 1286519155 SAWLHHBSLCZOGY-PMAPCBKXSA-N 430.980 4.715 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)CC1 1286548977 CSXUNDVUHUGPFB-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286621284 BBICNSIUPCOMQB-RTBURBONSA-N 444.004 4.915 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 1286653519 YCBDBQVZLFVXPB-KESTWPANSA-N 427.980 4.591 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1ccccc1CC 1286671155 RPTKOEFHQVQMJR-UHFFFAOYSA-N 446.599 4.888 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1286676575 OHBCOSWZTYWGRH-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286694249 AATKOQWSZRIAPJ-FCHUYYIVSA-N 448.615 4.804 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC)nc1OC 1286753086 UCOYIWWQMMXSEI-UHFFFAOYSA-N 447.583 4.882 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)C1 1291102125 HTONPBWLNOTBEE-LJQANCHMSA-N 432.572 4.557 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCSC1)OC 1291941235 DYGAAXAHHKOAGL-NHCUHLMSSA-N 427.618 4.600 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(OCCCc3ccccc3)C2)s1 1294234051 XDFDVXKNVCZNRD-UHFFFAOYSA-N 437.030 4.699 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc2ccccc12)C(F)(F)F 1296246901 UAAUTQZXBOJGIM-OALUTQOASA-N 434.458 4.866 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1CCCN(C)C1CCCCC1 1298283288 BITGUXMLBGKSKE-UHFFFAOYSA-N 443.599 4.503 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(F)F 1300880694 KCAHOAUQFXTHIV-HRAATJIYSA-N 429.515 4.509 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1301058833 ICRRGUGAGPTDHE-LJQANCHMSA-N 439.604 4.555 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301139030 KKNSMAYRMDYSSL-HXOBKFHXSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1301146280 YSYXTJDPGICBJO-HXUWFJFHSA-N 448.615 4.767 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H](CC)N1CCCC1 1301334200 FEPQCBKUPCCGKN-OAQYLSRUSA-N 425.621 4.651 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1nccn1C(F)F 1301355223 SJACIEGYNZDLQR-UHFFFAOYSA-N 444.505 4.982 30 10 IJEE C=CCn1c(SCCCCOc2cccc(C(F)(F)F)c2)nnc1-c1cnccn1 1307313567 AOYABURCIHPPPA-UHFFFAOYSA-N 435.475 4.891 30 10 IJEE C#C[C@@H](NCc1ccc(F)cc1I)c1ccc(Br)cc1 1308784497 KMFTUCATSHTYKE-MRXNPFEDSA-N 444.085 4.657 30 10 IJEE C[C@@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 1308999835 FUXLYDYBZAAODJ-SECBINFHSA-N 431.329 4.783 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H]2CC)ccn1 1314584300 CXMFTQVWFWLOFB-UTKZUKDTSA-N 432.597 4.997 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(F)ccc(OC)c1OC 1358209030 XZUQVYRQCAFDLV-UHFFFAOYSA-N 426.257 4.573 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC1COC(C)(C)OC1 1358922818 RXYZEAMUBYYKTQ-UHFFFAOYSA-N 442.629 4.524 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCN1CCCC[C@@H]1C 1358972684 OQHLFJVZXNTBPS-QHCPKHFHSA-N 445.655 4.970 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC=CO1 1359000112 LZNHGPBEDVFXQO-UYAOXDASSA-N 428.964 4.841 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(F)(F)F)CC1 1359080751 CKCGBAXZEIQUEL-UHFFFAOYSA-N 445.283 4.641 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN(C)[C@@H](C)CC)CC1 1359160369 SHNLOKJNKRXGFQ-RBUKOAKNSA-N 432.012 4.958 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359211101 RMJBWVXBESENQE-ZWKOTPCHSA-N 429.565 4.552 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1359232805 FXGWMAPATKARRH-RUZDIDTESA-N 431.540 4.541 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCC2)nc1 1359257667 REDQDUKYPMZQOL-UHFFFAOYSA-N 430.600 4.812 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CN(C)CCCC)CC1 1359283971 GVQZRYRVNGXYGE-UHFFFAOYSA-N 432.616 4.936 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c1 1359823571 VNJSQZFJVOCOCT-OAQYLSRUSA-N 435.351 4.960 30 10 IJEE C=CCc1cc(CNC(=O)CCCc2ccc(Br)cc2)cc(OC)c1OC 1434921917 ZEQRNTXFFVWZJE-UHFFFAOYSA-N 432.358 4.834 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1436276056 STBMGPNQDVSSBX-YYWHXJBOSA-N 425.529 4.658 30 10 IJEE CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC1 1450007849 AKYMIOKOSYGJBH-UHFFFAOYSA-N 427.545 4.996 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(Br)cc1 1450274241 QIUBOSKSOGNSPV-RXVVDRJESA-N 440.385 4.746 30 10 IJEE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CC(F)(F)OC(F)(F)C1 1455959520 FTFVMAAJKZGJFC-UHFFFAOYSA-N 428.329 4.795 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccccc1 1462500030 AENFZLKCDCQEJK-QHCPKHFHSA-N 428.488 4.903 30 10 IJEE CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1463792158 BSVRBPVRFHUQJB-UGKGYDQZSA-N 429.486 4.683 30 10 IJEE C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1463794865 LGSWPDQWSZUSNQ-JRVPOQSUSA-N 432.326 4.945 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)cc21 1467381644 RIMPBIWFXVLOPX-JOCHJYFZSA-N 444.457 4.764 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1469960563 QHBABMONDZJHHK-DFQSSKMNSA-N 443.316 4.613 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnn2C2CC2)nnc1-c1ccc(Cl)cc1Cl 1472323370 JXHBQSYTCIKUDZ-UHFFFAOYSA-N 449.367 4.700 30 10 IJEE C=CCOc1ccc(CNC[C@@H](CO)Cc2cc(F)cc(Br)c2)cc1Cl 1474174819 PRKHAEYMZRWGEB-INIZCTEOSA-N 442.756 4.747 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 1474915702 FNIHYYQUAUUGRC-IBGZPJMESA-N 441.528 4.563 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)ccc1C(F)(F)F 1474984486 AAFNFVHYGYTLBV-NRFANRHFSA-N 448.441 4.978 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2n1 1477121426 OUWHGBDULWFJOR-UHFFFAOYSA-N 443.473 4.591 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(CC#N)CC3)n2CC[C@H]2CCCCO2)cc1 1492455499 AGRILWITQKVHHS-OAQYLSRUSA-N 439.629 4.968 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)CC=C 1507522828 GDOBWKXXCUFGAA-OAHLLOKOSA-N 431.378 4.776 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(CCOC)CC(C)C 1507798296 VDZSRUSUNPKBSO-URXFXBBRSA-N 449.599 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1507799461 ZALQFLNTQVABGI-LAUBAEHRSA-N 443.954 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)[C@@H](C)CC 1507823063 CILJYLKNVKHADP-SLFFLAALSA-N 449.640 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1nc(C(F)(F)F)cs1 1507825908 BHDWMZJGDKDMID-UHFFFAOYSA-N 442.536 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cc(C)nc(N2CCCC2)c1 1507826290 LDJVVWFZTRYBGZ-UHFFFAOYSA-N 436.629 4.685 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1507837158 JRTXOSHGURDBGX-DOTOQJQBSA-N 436.398 4.643 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1507951056 MGIHPBACBDKOFV-NRFANRHFSA-N 433.556 4.589 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1507959331 OVZKLMQKRUMZKB-QGZVFWFLSA-N 448.976 4.732 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C)C1 1507959482 PXCIVNSKUYZUAW-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1)C(C)C 1508010999 JSKSOOZXJIHKIO-GVAUOCQISA-N 449.643 4.649 30 10 IJEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C1CCC(C)CC1 1508093736 JLNMLRSQGWXJJE-UHFFFAOYSA-N 448.036 4.541 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(C)C)C2)cc1 1508106251 VFCSJFJMPNLORQ-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE C=CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1521901142 AEKFWAQSZJFSPY-UHFFFAOYSA-N 428.554 4.948 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)cn2)c(OC)c1 1522010429 QRXNLLASLLOEKR-UHFFFAOYSA-N 443.425 4.917 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(F)c3ncccc3c2)c(C(=O)OCC)c1C 1525887391 IPBRCNRXFAOHHZ-UHFFFAOYSA-N 442.468 4.516 30 10 IJEE N#CC1(CC(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)CCCCC1 1526908021 FPXZMRBOBHMSDK-UHFFFAOYSA-N 437.353 4.660 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)c2ccccc12 1527328815 HSYQNTOAATVLMU-ZBFHGGJFSA-N 435.886 4.734 30 10 IJEE C=CCCOCC(=O)Nc1cc(-c2cccc(Br)c2)sc1C(=O)OCC 1530418061 RGUQVTASTVITCH-UHFFFAOYSA-N 438.343 4.886 30 10 IJEE C#CCN1CCC(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(SC)cc2)CC1 1533831770 KCDSLZROMWVOHB-UHFFFAOYSA-N 426.557 4.644 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1 1538991890 GIXQEZYPSRYPAV-DLBZAZTESA-N 432.515 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)c1ccc(Cl)cc1 1539034781 IKBDSOGPFLLIMD-RZXSNQJFSA-N 445.007 4.696 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@]2(CCOC2)C1 1539095066 YZFNTFGDGLKVOE-NTKDMRAZSA-N 442.991 4.719 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1539619909 IKFLJJVTDDPFTB-KPLVRAHFSA-N 439.629 4.995 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(CC)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1539946773 DKTKXIAMKAWOLH-JYFHCDHNSA-N 438.616 4.917 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1539947592 LCMSTTSKHTXBQE-DEOSSOPVSA-N 426.568 4.754 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)c1ccccc1 1539949268 WPMCIDHPRZJPCT-FYYLOGMGSA-N 448.615 4.987 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@@](C)(CC)O1)C1CC1 1540093951 AQAFQVMTHNSITI-DYESRHJHSA-N 448.409 4.549 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CCc1nccc(C(F)(F)F)n1 1540126111 ACBWEFVSIHTFGQ-UHFFFAOYSA-N 444.505 4.820 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)c(C)c1 1540146339 DBMLYWAQSHCJNY-IBGZPJMESA-N 426.561 4.922 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(F)(F)F 1540182075 IIKPACQAYPGNPM-OAHLLOKOSA-N 438.425 4.948 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccs1 1540187008 KWZAQFXNCWIIDA-SFHVURJKSA-N 426.586 4.649 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1540974061 VUUKROPPPAKBJF-SFHVURJKSA-N 442.903 4.720 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCO[C@@H]2CCCC[C@@H]2C)c2ccccc2n1 1542180999 HCBVJGAMDXNRSG-YDIMBITNSA-N 446.599 4.993 30 10 IJEE N#Cc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c(F)c1 1543590374 HDKSUHKGIFNKSD-UHFFFAOYSA-N 432.430 4.679 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C 1544540773 NSXCTVFMKHUPQR-SFHVURJKSA-N 426.479 4.749 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 1556476297 UQKOEOOPSQGDTI-UXHICEINSA-N 429.948 4.632 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 1567590418 YMCIMUVEBZQUAY-KDOFPFPSSA-N 443.371 4.526 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1Br 1569508615 FSEJZLAJSSMGMZ-INIZCTEOSA-N 427.339 4.646 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3cccc(COc4cccc(F)c4)c3)CC2)c1 1586325794 CFIWUHWOKSWSLX-UHFFFAOYSA-N 443.522 4.671 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 1587026407 WWNUVFXFPASFAY-UHFFFAOYSA-N 448.364 4.789 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC(C)CC1 1587574101 BJPLSQGKFXPZFA-JOCHJYFZSA-N 444.627 4.772 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCC(F)(F)F 1587672762 GGHLHMBVXSLPEZ-LBPRGKRZSA-N 435.277 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(F)(F)Br 1587677137 CVVBNRSMJYUOBG-LLVKDONJSA-N 449.752 4.669 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 1587840781 QXDFBIPFPAEGIX-MJGOQNOKSA-N 443.569 4.544 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1c(F)cc(F)c(F)c1F 1587932114 LWXKVXRCJUIECE-LBPRGKRZSA-N 448.489 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(C)c1 1589163050 HHOSNSCDZYTZNY-JOCHJYFZSA-N 438.373 4.579 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCOC1 1589687590 JIDGNXMSYXEPFT-MRXNPFEDSA-N 439.387 4.993 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 1594063933 GNMRGAYNVZVXDO-UHFFFAOYSA-N 446.477 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@H](C2CCC2)C1 1594473761 ZPJNGSFWVJTTJE-LJQANCHMSA-N 429.996 4.849 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](SC)C1 1594625931 IPRBFXBMVDZSJL-GHTZIAJQSA-N 428.602 4.869 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1594930294 YWEPRWUXHBBVCG-QUCCMNQESA-N 425.577 4.521 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1595184982 JJJOHVICFNYCBO-QFBILLFUSA-N 448.409 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)CN1CCCCC1 1595196385 QSBBEUJSZIOJJU-NRFANRHFSA-N 430.600 4.794 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](CC)C1 1595855100 YHIVXNAZQSQIHK-OAHLLOKOSA-N 427.014 4.989 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC2(CCCC2)C1 1595900827 KJXSQGLVDQARBP-UHFFFAOYSA-N 442.629 4.543 30 10 IJEE C#C[C@@H](NC(=O)c1nn(CCCCCC)c(=O)c2ccccc12)c1ccc(Cl)cc1F 1597001591 DPJYDMRPDDKCCR-OAQYLSRUSA-N 439.918 4.874 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 1611061664 KNNWBZBVWHRJBU-RHDGDCLCSA-N 425.326 4.623 30 10 IJEE N#Cc1cnc(N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c(Br)c1 1611947039 HPXKLKZJGSYPHR-UHFFFAOYSA-N 448.324 4.922 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1612916412 AFCLEOMFLHYDOB-RPHTVSPISA-N 439.629 4.598 30 10 IJEE CCC(CC)(Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1613494264 BKAPWWVJVPKOPZ-JOCHJYFZSA-N 437.588 4.590 30 10 IJEE C=CCNc1ncc(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)s1 1617578759 JUJBLRDTXJDEOK-UHFFFAOYSA-N 427.374 4.941 30 10 IJEE CSC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(C#N)CC2)CCC1 1620227801 DZGTZOKIHOFQDZ-UHFFFAOYSA-N 427.643 4.905 30 10 IJEE CCCOc1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1OCCC 1622792714 ADPCVLAHOBXSHN-UHFFFAOYSA-N 428.558 4.551 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)cc1 1623891181 LCCOQCBFANKIIY-WOJBJXKFSA-N 444.576 4.796 30 10 IJEE CN(C)CCCN(CCC#N)C(=O)Nc1cccc(-c2cccc(Br)c2)c1 1627636407 AOGNBRPGJYEIIY-UHFFFAOYSA-N 429.362 4.815 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CCCc2ccccc21 1629247411 BSWLSRCRTRZULS-HOYKHHGWSA-N 430.552 4.754 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(c4ccc(F)cc4F)CCCCC3)n[nH]2)c1C 1633394212 DUGOKCHNVIWKFS-UHFFFAOYSA-N 439.510 4.944 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1)c1ccccc1 1633416977 IHWIQNNRYNEEKG-XUZZJYLKSA-N 449.595 4.578 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)C(C)C 1633545208 XQJMAAHPQOBCMK-ZEQRLZLVSA-N 431.536 4.524 30 10 IJEE C=CC(C)(C)CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1635383234 JLIVRVOZYGWAEY-HXUWFJFHSA-N 425.367 4.517 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1636283890 FHWDCVRHFNJTMX-UHFFFAOYSA-N 433.552 4.645 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2cc(Cl)ccc2Br)c1C#N 1643565277 FXUUBHMKQMWZRY-UHFFFAOYSA-N 436.762 4.898 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc([C@H](F)C(F)(F)F)cc3)ccc2c1=O 1644439247 YTHDLYCQYWJCPX-INIZCTEOSA-N 437.418 4.696 30 10 IJEE C=CCn1c(SCCCC(=O)NCCC)nc2scc(-c3cccs3)c2c1=O 1652393114 LCKLHTKCULLVBI-UHFFFAOYSA-N 433.624 4.771 30 10 IJEE C=CCN(CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)C(C)C 1653232541 TZTIQMYHFZAYRU-OAQYLSRUSA-N 430.474 4.684 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 1654808559 BIMXFIMQVXEGIG-BVZFJXPGSA-N 437.971 4.701 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccnc1OCC(F)F 1660018264 VWHWXDSRTPHZGL-UHFFFAOYSA-N 444.251 4.847 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1-c1noc(C2CC2)n1)c1ccc(Br)cc1 1665384453 YHRVCMBRPIIEOK-KRWDZBQOSA-N 437.297 4.873 30 10 IJEE C=CCc1ccc(OS(=O)(=O)Cc2ccc(Br)cc2Cl)c(OC)c1 1666007141 AKAKCXRBRLBYOE-UHFFFAOYSA-N 431.735 4.748 30 10 IJEE N#CCC[C@H](NC(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccccc1 1671327441 BVDYHOGPFRLEJN-INIZCTEOSA-N 430.480 4.557 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)N[C@H](c3cccs3)C3(CO)CCC3)cc2)ccn1 1672525487 GKWYAXQTPBMAOJ-OAQYLSRUSA-N 434.521 4.832 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1674514044 DSGHYVHJRZOIKO-SFHVURJKSA-N 433.581 4.739 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Br)C3)cc21 1675095826 RILPQLMNOGRVLU-HXUWFJFHSA-N 441.329 4.590 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1 1675169484 PKRJJOWPTOEYFG-ZWKOTPCHSA-N 431.964 4.822 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)cc1 1675409284 KGOPWCPRPNAGOA-CPJSRVTESA-N 431.580 4.685 30 10 IJEE C#CCN(C(=O)N[C@H](CF)c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1683571395 WVDTUVOTFPPVRQ-MOPGFXCFSA-N 449.295 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1690212878 VUAFJPISBFSSAX-BBVWWWHTSA-N 436.600 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCCCO1 1690271236 ISKDDZZHCRRFFV-PMACEKPBSA-N 447.624 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@H]2OC)CC1 1690368716 IZZLQAXIJLUCSR-HNAYVOBHSA-N 449.368 4.818 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1690455134 DKKMLAJZCLDJGP-RUZDIDTESA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC1(SC)CCOCC1 1690560053 OMPIOEQTBKSLHM-UHFFFAOYSA-N 437.613 4.522 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1N(C)CCCC1(C)C 1690571552 AMFCCMKAPWOFSV-FGZHOGPDSA-N 441.595 4.582 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)Cc2cccs2)C1 1690706302 IDCXPBKYXRZXQM-GHTZIAJQSA-N 440.588 4.730 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC(c2ccccc2CO)CC1 1690749615 KAXLTEICFBKGME-UHFFFAOYSA-N 440.657 4.806 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(COCC)cc1 1705545409 ZJVAWRGOIPVEHJ-UHFFFAOYSA-N 434.609 4.930 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 1705680406 AHUPFXRLABQRTI-OAHLLOKOSA-N 430.350 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCC(F)(F)F)cc1 1705717006 AJTSXPCVQBWNTQ-SFHVURJKSA-N 438.494 4.564 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C1CCN(CCC)CC1 1705757901 BPHICZLQWHALMM-UHFFFAOYSA-N 432.012 4.537 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1705765229 DIUGFQPXTMWTHS-UXHICEINSA-N 440.588 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[C@H]1CCCCO1 1705837111 PYKXQYMHDBJENH-MRXNPFEDSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cccc(NC(C)=O)c1 1705865728 UITNGXVAXNERKE-UHFFFAOYSA-N 446.580 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](OC)C(C)C 1705870698 OHDCTIPFDUIETQ-GOSISDBHSA-N 437.357 4.696 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1705875309 OCEKTZVVOHIOGS-UKILVPOCSA-N 429.568 4.610 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2=CCCCC2)C1 1705928435 FEZFZUVQCOABMT-NRFANRHFSA-N 428.964 4.792 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1705945916 VGZCNKKZOWFXNN-SFHVURJKSA-N 430.622 4.745 30 10 IJEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CC(C)C)cc1Br 1711741360 HOPZBJNFLMCCFP-UHFFFAOYSA-N 432.366 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1722504861 HWEHEIXAQFCXMP-ZYKOEDHHSA-N 447.583 4.836 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCSC2(C)C)CC1 1722562593 FJRGHRLWWXOYRV-SFHVURJKSA-N 428.602 4.650 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1722562659 HIKVWZXVESFRJB-WZONZLPQSA-N 429.012 4.660 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1722595277 VONHJWWIVYYSQK-QHCPKHFHSA-N 431.584 4.953 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@H](C)C1 1722660871 JXMAOYMTOCNSOB-QZTJIDSGSA-N 436.585 4.616 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CC2)n1Cc1nnc(C(C)(C)C)s1 1722674758 HGYMLZNKJHTKSL-UHFFFAOYSA-N 436.629 4.663 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC(C)CC1 1722676620 FSXOSNRNYJZXSQ-QFIPXVFZSA-N 448.615 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@](C)(O)CCC)C1 1722714237 IWAAQKRIDBKDRN-CYFREDJKSA-N 444.645 4.608 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)Cc2cccs2)C1 1729107231 CTYBCMSIHXVYHT-AZUAARDMSA-N 435.597 4.620 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC(C)(C)c1ccccn1 1729987721 FQRNNVRBPKZOIW-INIZCTEOSA-N 438.963 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(OC)C1CC1 1740534371 YJZZUPMOBAXJJG-LLJLJFOGSA-N 445.007 4.961 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1740576261 TXHSHCWEMHDLPM-YDPRHXJPSA-N 428.621 4.887 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H](CC)Oc1ccccc1F 1740730723 GYCBFZHEDHMVQE-SNYIIPAISA-N 426.536 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCc1ccc(Br)cc1 1740775618 GYCBCTATIJYRQJ-UHFFFAOYSA-N 440.389 4.672 30 10 IJEE C=C(Cl)Cn1c(N(C)C[C@@H](C)CCC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740815870 MUXULCWIOLUYOC-BHYGNILZSA-N 426.005 4.674 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740848429 KCSFIAZTBVAPSU-NRFANRHFSA-N 426.609 4.722 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 1740855975 PZCUDLRKAIOUAT-ZKMFCFPVSA-N 437.632 4.720 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1Cc1nnc(CC)s1 1740914594 VMSXZLHVSTUDFT-UHFFFAOYSA-N 438.601 4.599 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCC 1740928238 ZELQJKYTVUTVNH-UHFFFAOYSA-N 425.758 4.576 30 10 IJEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccccc1Cl)N(C)C 1741452408 CYEHBCXFGJQEOP-OAQYLSRUSA-N 429.012 4.563 30 10 IJEE CCC(O)(CC)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1 1744176495 CCEBVLCZUGWCEN-KRWDZBQOSA-N 441.645 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1N(C)CCCC1(C)C 1748650673 BOKJBQIMGORJOT-SPEDKVCISA-N 439.673 4.710 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1748738469 DVMWGGVOVKWXRL-SFHVURJKSA-N 430.980 4.804 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)C[C@@H](C)CC 1748744973 ILWWKTDHSNTZCI-IBGZPJMESA-N 434.588 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(COC)CCCCC1 1749159662 WSZBCNNGEASQJC-QFIPXVFZSA-N 440.588 4.790 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC1(CC)CCOCC1 1749540848 CSAJGEQSRKPZJS-UHFFFAOYSA-N 435.547 4.879 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H](C)c1nc(-c2ccccc2)no1 1749554318 RGHTWCRLSGLOBF-KRWDZBQOSA-N 434.569 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1snnc1C 1749564649 XJQPDGAINPAGTI-CQSZACIVSA-N 426.615 4.518 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1coc(-c2cccs2)n1 1749564976 HDUNWEQBNNYDAL-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE COCCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1749595976 ACLIOASOLUNEKW-HSZRJFAPSA-N 445.995 4.703 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)C2CC2)cc1 1749683966 MCYWPKLYRXSOGC-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1CCC(OC)CC1 1760098701 WDSYQAQQTNKKRF-UVHRUJRTSA-N 428.552 4.610 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cnn(CC)c1 1760132771 OWWHJDABMCGXEF-UHFFFAOYSA-N 436.629 4.932 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1760133226 XVOXLSXUAXGGMA-QZTJIDSGSA-N 443.389 4.612 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC(C)(C)[C@@H]1C 1760146888 ZICHLCGMXCCYNU-NRFANRHFSA-N 431.584 4.770 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)C1CCCCC1 1760226281 AOBYDQCXQRLUJD-AVRWGWEMSA-N 440.657 4.922 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C1CCCCC1)N(C)C 1760227892 PBDUOLHIJRYZOT-KNQAVFIVSA-N 441.595 4.527 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@@H]1CC 1760234715 RKEBOTKGAOAOBN-PCCBWWKXSA-N 443.636 4.678 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2cccc(C)c2)CC1 1760391786 QYZDNQKATDHXSM-IBGZPJMESA-N 435.597 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1760407192 WUWLZMMOEOQWDA-UHFFFAOYSA-N 446.039 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(C)C)C1 1760409418 UDZJXEPNXSSXCD-HXUWFJFHSA-N 444.645 4.823 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](CC)C1 1760425998 BXBBRDKGYAXERJ-IBGZPJMESA-N 434.588 4.658 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(Cl)ccc2C1 1760447110 DNRIPFMDWBMMRZ-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1760501137 HWLYHOSZMOFVSA-MOPGFXCFSA-N 434.531 4.826 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OC)CCCC1 1760502356 WLCZHQUJWSJHOL-GOSISDBHSA-N 444.645 4.729 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1760504764 BACGFTXIYKWLHK-QFIPXVFZSA-N 442.579 4.529 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[C@H]2CC)C1 1760537437 NXRHTCFWWKLROI-HMXCVIKNSA-N 440.588 4.570 30 10 IJEE CCC[C@@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N)OC 1763855534 CXSYBXMMFQDZRA-APWZRJJASA-N 438.601 4.788 30 10 IJEE CCCCCCCCn1cc(O[C@H](C)C(=O)Nc2cccc(C)c2C)c(=O)cc1C(=O)O 1857889930 AOQOMQKVEQGNJP-LJQANCHMSA-N 442.556 4.930 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1C(=O)O 1857890481 YPFKJKCZVGRPDL-UHFFFAOYSA-N 428.529 4.541 30 10 IJEE CCN1CCc2nc3c(Cl)cccc3c(C(=O)Nc3oc4c(c3C#N)CCCC4)c2C1 1859662294 FZTCKUALBODZBH-UHFFFAOYSA-N 434.927 4.862 30 10 IJEE CCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O 1860362096 BVCIQUZVVXYUIX-UHFFFAOYSA-N 436.552 4.972 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1OCC 1860728578 GNIBNXMUYFDJOE-JXMROGBWSA-N 432.314 4.776 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862422020 UYEQTOFXFYLRGJ-ASSNKEHSSA-N 445.462 4.749 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862444769 GUNNMVBQDVFBTD-LJQANCHMSA-N 441.892 4.591 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862451728 MFPUGTWDTWEXBL-JOCHJYFZSA-N 438.955 4.957 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc1OC 1862496747 RQSOMMZCCMHOIU-QHCPKHFHSA-N 437.536 4.945 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862503409 WXXSXHJRGGNUNS-QHCPKHFHSA-N 447.462 4.632 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC)cc1 1862528646 ALVBHSZFEAYNDM-IBGZPJMESA-N 444.325 4.836 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2F)cc1OC 1862571285 IVCGTHGLLDVZGM-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862595181 JZYFQRDSKZKZHI-QHCPKHFHSA-N 442.446 4.791 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 1862751067 IYMGCHIHHWVQHK-LJQANCHMSA-N 428.872 4.873 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1862760321 LYBRAAZTWDHEBY-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H](C)O)=C(c2ccc(OC(C)C)cc2)C1=O 1863695654 UCAUIMFSVFTGQY-FQEVSTJZSA-N 444.616 4.665 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCS[C@@H](c3ccc(OC)cc3)C2)n1 1868268501 MXKYKJMSRGWIDT-OAQYLSRUSA-N 431.565 4.957 30 10 IJEE C=CCOc1cn(Cc2ccncc2)c(CSc2nc3ccccc3n2CCC)cc1=O 1870244354 KXPPUVYKRWDWTJ-UHFFFAOYSA-N 446.576 4.908 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870532365 VIZFKMXLYRZCQO-JOCHJYFZSA-N 447.664 4.736 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870838401 BSGWJXSGOSLCBB-UHFFFAOYSA-N 446.588 4.599 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)c1OC 1871384556 XXFOTWVUEBPKKY-HAHDFKILSA-N 446.455 4.695 30 10 IJEE C=CCN=c1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871508732 KMOUWJYRRWOOLX-RTBURBONSA-N 430.556 4.910 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871966256 LNYKHSFQTQWSSJ-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCCCC)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872185127 VDINLUKAQQCKOK-KNQAVFIVSA-N 438.634 4.837 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872422608 PTVDJTVUKHMQJV-DEOSSOPVSA-N 434.561 4.860 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 1872612942 JERIETCALJXROK-NRFANRHFSA-N 442.691 4.652 30 10 IJEE O=c1c(Cl)c(N/N=C/c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)c(Cl)c1 1873529655 WDXKLCQXUFOJOZ-ODCIPOBUSA-N 438.658 4.547 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)c(OCC)c2)cc2c(NCCCC)ncnc21 1873604239 QEEMQLFXUYPEAC-UHFFFAOYSA-N 437.544 4.879 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)cc1 1874292459 DVXOHBPBYBLTOV-VULFUBBASA-N 449.511 4.574 30 10 IJEE COc1cc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SC)ccc1OC(C)C 1874319055 XPWQYYCNVVZNRK-ZMOGYAJESA-N 440.569 4.874 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2sccc2C)o1 1874423542 QVOAXPSPBXILIY-KEBDBYFISA-N 444.563 4.931 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(C)cc1 1874436324 WDECRDARTYWOMQ-YSURURNPSA-N 448.379 4.704 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874486951 RKKUOOPPOBQHFT-AFUMVMLFSA-N 441.988 4.520 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874503608 QUUAGXZBWQNJJE-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2ccccc2Cl)c1OCCCO 1874574807 HFTIRSYHINUBEI-BQYQJAHWSA-N 425.706 4.768 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OCC(C)C)cc1 1874574826 HXOHEDYVBOKMLR-UXBLZVDNSA-N 447.325 4.932 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1cncc(C)c1 1875147103 LZPMBZWFGNGJKM-RMKNXTFCSA-N 447.487 4.921 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(Br)ccc2Cl)c1 1891694767 NQFCCGIDKKFOSZ-UHFFFAOYSA-N 449.776 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CC(C)(C)OC)NC(=O)OC(C)(C)C 1922092187 QIRIMTKNZRAHOM-FCHUYYIVSA-N 434.621 4.836 30 10 IJEE CSC(=NC#N)Nc1cc(Br)c(Br)c(Br)c1 1938593752 IMVIPVPJABGSLI-UHFFFAOYSA-N 427.947 4.586 30 10 IJEE C=C(COCCC)[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479293 KWYVQRGAZLFBHR-GOTSBHOMSA-N 434.621 4.838 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(Cc3ccccc3)C(=O)OC(C)(C)C)C[C@H]2C1 1953231509 SAIBQPWKZPEWDO-FZWXVRBQSA-N 441.572 4.963 30 10 IJEE C[C@H](C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1957732997 GRFCSJURYITZKY-FYSMJZIKSA-N 426.472 4.859 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(C1)CN(c1ccc(C#N)c(Br)c1)C3 1965685872 MOMKJVXTYMKBQP-SFTDATJTSA-N 432.362 4.548 30 10 IJEE C#CC[C@@H]1CCCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984724513 QQHAGDUDVRZCRD-FQRUVTKNSA-N 444.575 4.954 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(Cc2ccccc2)CC1 1997812977 MRMBJXVPEQUMMU-VWLOTQADSA-N 428.621 4.514 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H](OC)CCN1C(=O)OC(C)(C)C 2014392896 GGGRAOGILSQFFT-ZRBLBEILSA-N 432.605 4.542 30 10 IJEE COCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)C1 2035393941 CASCNAUJKFNKDP-UHFFFAOYSA-N 445.560 4.703 30 10 IJEE Cc1c(NCc2occc2B2OC(C)(C)C(C)(C)O2)cccc1NC(=O)OC(C)(C)C 2039817351 CWXQUEVFDIIUEU-UHFFFAOYSA-N 428.338 4.846 30 10 IJEE N#Cc1cc(Br)ccc1N[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2043997558 KLOJQOAYHLONOE-HXUWFJFHSA-N 440.341 4.924 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]1C 2045250888 XEAOUZBEEUWIHQ-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(O)c1 2080048245 PQVGARPJCQOBQI-KRWDZBQOSA-N 434.334 4.609 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)c(F)c1 2142176274 YQUMOFMVUYEZQF-WBVHZDCISA-N 431.321 4.685 30 10 IJEE CC(C)N(Cc1ccc(Br)cc1C#N)C[C@H]1CCCN1C(=O)OC(C)(C)C 2174558865 DPNPAJBTJACPQI-LJQANCHMSA-N 436.394 4.931 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CC1 2180986859 IIUCAGIKPGOXCG-HIFRSBDPSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)CC1 2205528207 YCJBUMWQSCFXSQ-AKAXFMLLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1F 2231060535 WBPLSZJKSKDFOR-UHFFFAOYSA-N 448.344 4.871 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCC[C@@H]2CNCC[C@H]21 2233794404 JSNWPLQWYCEICZ-ZOCZFRKYSA-N 434.378 4.863 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](N)C#Cc2ccccc2Br)CC1 2235745632 DPSXGBSFONMCFZ-IBGZPJMESA-N 435.406 4.801 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2247929933 AWKXOVXVHSMZOD-UHFFFAOYSA-N 425.403 4.883 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(Oc2ccc(OCc3ccccc3)cc2)n1 2265931415 DHPKGQPMUBLTLN-UHFFFAOYSA-N 433.313 4.761 30 10 IJEE C=CCCC1(C(=O)Nc2cc(Cl)cnc2Br)CN(C(=O)OC(C)(C)C)C1 2266236104 QRHSQSUCYRUEPW-UHFFFAOYSA-N 444.757 4.639 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2267118973 PUURHUVSYHMSDN-YPAWHYETSA-N 440.437 4.666 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@@H]1C(=O)C#Cc1cccc(Br)c1 2278744026 MOWCSSKBOWQCFJ-KRWDZBQOSA-N 438.387 4.501 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CC[C@]1(C)NC(=O)OC(C)(C)C 2289878999 COARIMPKTFZCJH-COPCDDAFSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CC[C@]1(C)NC(=O)OC(C)(C)C 2296283001 BHQBCTVKGGINJZ-COPCDDAFSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)C(C)C 2296285118 YONLLWWEZJSGFN-WOJBJXKFSA-N 437.422 4.966 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)o2)[C@@H]1c1cccc(Oc2ccccc2)c1 2296923887 FDQVPQQGDHXURA-QHCPKHFHSA-N 447.487 4.839 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)c3ccc(OC)cc3)ccc2C1=O 2314438370 QEMLSJAUPRAWGM-UHFFFAOYSA-N 430.456 4.972 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 2314479072 ZKYHFJGOZIPVGN-XMMPIXPASA-N 433.548 4.999 30 10 IJEE C[C@H]1[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317350053 MWQUMYAGTROANL-WMZOPIPTSA-N 430.354 4.503 30 10 IJEE COC(=O)c1c(NC(=O)C=CC(=O)c2cccc(OC)c2)sc(C)c1-c1ccccc1 2320940844 WZUNQRNHPXIXFV-UHFFFAOYSA-N 435.501 4.896 30 10 IJEE N#Cc1cccc(C(=O)OC[C@H]2CCCN(C(=O)C=Cc3ccc(Cl)cc3Cl)C2)c1 2321386102 WKFDXDWFBFLGGR-KRWDZBQOSA-N 443.330 4.974 30 10 IJEE CCOC(=O)c1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccco2)C4=O)cc1 2321988241 MAERMBKTZLCQDO-UHFFFAOYSA-N 445.471 4.733 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OC 2322346787 HEFQUEAVBCXOJA-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323228672 CQKOPJDVQGLBHD-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE COC(=O)c1sc(NN=Cc2ccc(OC)c(OC)c2Cl)nc1-c1ccccc1 2323865095 GJQZDXJXVSDAKA-UHFFFAOYSA-N 431.901 4.713 30 10 IJEE CCn1cc(C=C2Oc3cc(O[C@H](C)C(=O)OCCOC)cc(C)c3C2=O)c2ccccc21 2325336016 LNZJKTUCTOIHBC-QGZVFWFLSA-N 449.503 4.543 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(O)c(OCC)c1 2327484926 RJBUQBCZFAUEBH-UHFFFAOYSA-N 448.495 4.624 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(OC)c1OCCC 2329761410 JNZTZEKLHURDBJ-UHFFFAOYSA-N 440.544 4.966 30 10 IJEE OCCCSc1nnc(CCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330209840 UOOWSLZQACYWTD-UHFFFAOYSA-N 435.380 4.727 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2330766950 NMBZXKALRHLJGZ-UHFFFAOYSA-N 449.967 4.895 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2[C@@H]2CCCO2)ccc1OCc1ccc(C)cc1 2330881572 ZHDKSARDEUVGKP-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE Cn1cc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)c2ccccc21 2331484328 DMSUYHZEFYRVHZ-UHFFFAOYSA-N 444.564 4.650 30 10 IJEE CC(C)(C)OC(=O)NCCCC1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339605227 AZZGFXIDJHZYTG-UHFFFAOYSA-N 444.381 4.943 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2csc(C)c2Br)CC1 2343569087 NUWURRMFABXEPD-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE C[C@@H](Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)c1cscc1Br 2345744049 WXNKNAOHTZXBCB-SNVBAGLBSA-N 427.148 4.517 30 10 IJEE CCN(Cc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1)C1CCN(Cc2ccccc2)CC1 2369733584 MTYOGFYLLBSMSC-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE C=C(C)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1-c1ccccc1 3367638 CPGGMEPMSYEMBM-UHFFFAOYSA-N 442.610 4.633 30 10 IJEE CCCCCCCCNC(=O)c1cccnc1SCC(=O)Nc1ccccc1OC 8682964 RXZJVEKFRORZAY-UHFFFAOYSA-N 429.586 4.911 30 10 IJEE N#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccc(Br)cc3s2)cc1 11075455 CPSQXLKNVOJZAA-MRXNPFEDSA-N 442.338 4.756 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(OC)c2OCC)cc1 21233646 YPKNOYACNGDMFP-WIYYLYMNSA-N 449.547 4.887 30 10 IJEE C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 33396742 RGPJLUAZAYFLGK-ZDLGFXPLSA-N 447.318 4.880 30 10 IJEE N#CCOc1ccc(Br)cc1/C=C1\S/C(=N/c2ccccc2Cl)NC1=O 34868898 XHRXFYNXLQEAGP-YBEGLDIGSA-N 448.729 4.896 30 10 IJEE FC(F)(F)c1nnc(S)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611415 QFFXOFCFNFVTDR-AERZKKPOSA-N 437.230 4.947 30 10 IJEE Cc1c(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(O)n(CCc2ccccc2)c(=O)c1C#N 38619938 ZXITVHBTFNQKNL-VQIMIIECSA-N 445.346 4.751 30 10 IJEE Cc1c(C(=O)[C@H](C)Oc2ccccc2Cl)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38623148 KCKAQPSWGKVRRD-HOTGVXAUSA-N 436.895 4.647 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c(OC)c1 41354480 FBLFFFYWMJBURD-NHDPSOOVSA-N 436.485 4.838 30 10 IJEE C=CCc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)ccc1O 59198533 NSFZBVJQXXHNQI-LFIBNONCSA-N 443.322 4.555 30 10 IJEE C=C(C)COc1ccccc1NCC(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 66062907 VCJULHWIPJUHHY-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE C=C1CCN(C(=O)c2cc3nc(N(C)C)n(-c4ccc(Br)cc4)c3s2)CC1 111175702 YXOLZWYMYOQHIT-UHFFFAOYSA-N 445.386 4.708 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922897 MUMCGCORQUPGHE-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926264 WTUSRJIYSVXBLT-VWLOTQADSA-N 438.483 4.669 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(CC)C(C)=C2C(C)=O)ccc1OCc1ccccc1F 169933278 RGGSMSVJXMIGBY-HSZRJFAPSA-N 442.556 4.918 30 10 IJEE CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc(Cl)c1OCC 169937940 CKGOSJUDBAYCBJ-IBGZPJMESA-N 430.957 4.813 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1OC 169945957 YDSOXNZGHLGHCZ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)c1 169996889 MJVYFEXLYTXQGF-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc3ccccc23)cc1 170044932 PWNCVFNQLWVSGM-HYBUGGRVSA-N 443.499 4.606 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 170050207 PXIMKVHBLURCLR-XMMPIXPASA-N 427.456 4.517 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2C)c1 170086364 FPJDSZKVSQNRCX-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE CCN(CC)c1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170121893 NZJILTFOUBOOOZ-UHFFFAOYSA-N 442.544 4.863 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)c1 170163392 GCWSEJGCNCRGIX-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1C 170163600 ABUAJBFFZADABY-NRFANRHFSA-N 434.517 4.629 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccs1 170166160 VDVGMPIBROBYEY-OAQYLSRUSA-N 443.565 4.929 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)c1 170192812 FBUYDVJWRSEOPI-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccncc2)cc1 170199681 GPSVLRZZWSOVCP-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(OCC)cc1 170213796 OQJKAPSVPRIYAE-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1 170251390 IGZMCMIHNDCORN-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2CCCOC)cc1 170266786 ORTZSUIERYLBJL-OAQYLSRUSA-N 443.927 4.526 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2C)c(C)c1 170272681 SQGBIODLOPLIDN-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)cc1 170291147 WLNJBWQYJCCLHV-XMMPIXPASA-N 443.499 4.946 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170363691 SAJSQRAZNGYWAE-JOCHJYFZSA-N 432.476 4.527 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)o1 170401792 ZHDHMNGXBZGVPT-QHCPKHFHSA-N 443.503 4.756 30 10 IJEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)cc1 170428450 LDPCJQNIJIQFDO-XMMPIXPASA-N 437.536 4.993 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)c(C)c1 170536256 GRJVXMCXRZHHNY-UHFFFAOYSA-N 439.519 4.852 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccccn1 438897312 DUVZQLWMEJNSRB-MRXNPFEDSA-N 435.336 4.839 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCCO[C@@H](C)C1 460780753 DPKHEBQNUHPVGV-IBGZPJMESA-N 436.531 4.855 30 10 IJEE COc1ccc(C)cc1C1(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCOCC1 465753212 NJWOWKGLZKSZBW-LADGPHEKSA-N 447.579 4.533 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 475551273 XTODMMASDBQYOP-UHFFFAOYSA-N 434.584 4.529 30 10 IJEE CC1(C#N)CCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1 506040829 DYPGISMWLCDOCU-UHFFFAOYSA-N 428.330 4.806 30 10 IJEE CCCCCCC[C@H](C=O)/C(=N/N)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 514278048 SRZWDTFFRWQWJO-PZHAEXOUSA-N 440.540 4.761 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 516162932 KNBZJJCMDHIXHE-QGZVFWFLSA-N 442.539 4.722 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)cc2)ccc1OC 526485641 GARKNZPQZDWXKW-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526514972 ICPHKWRROARVKB-XMMPIXPASA-N 442.471 4.815 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OC)c2OC)cc1 526515293 JLIQFMUAMLBTGR-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc3c(C)[nH]nc3c2)nnc1-c1ccc(Cl)cc1 539909197 AZULHTDQPORISA-UHFFFAOYSA-N 438.944 4.700 30 10 IJEE COc1ccc([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3Cc3ccccc3)C2)cc1 549155262 QPYWKMHEVWHFRC-DEOSSOPVSA-N 435.531 4.868 30 10 IJEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 549290511 CNIGHKQWXLHTLE-IBGZPJMESA-N 443.473 4.821 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2cccn2)CC1 555269450 XIQJTACKYFTZAB-OAQYLSRUSA-N 434.588 4.724 30 10 IJEE CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c(C#N)c1C 610150687 IPRULMOKHSBTMC-QWHCGFSZSA-N 438.427 4.746 30 10 IJEE Cc1ccc(NN=Cc2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)nc1 727259612 IEFGHPMAIBVNID-UHFFFAOYSA-N 444.545 4.605 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)Nc2cccc(C)c2)cc1 732177460 LCWMRDBOUDKPDQ-UHFFFAOYSA-O 447.584 4.861 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1C 733197599 PRDGNJOJCVOANP-LJQANCHMSA-N 425.941 4.632 30 10 IJEE Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740434630 GSNYUPOULMZFSH-UHFFFAOYSA-N 430.533 4.809 30 10 IJEE Oc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br 1084183499 IUEYQPBDRXPEHI-UHFFFAOYSA-N 439.029 4.777 30 10 IJEE CC(=O)c1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)s1 1124991418 JTOARQPEEVANDL-UHFFFAOYSA-N 436.440 4.536 30 10 IJEE CC[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)Cc1cccc(Br)c1 1126274778 DCXBMRIFQWTLAX-HTAPYJJXSA-N 440.385 4.675 30 10 IJEE C=CC[C@H](OC(=O)C1CCN(S(=O)(=O)CCCC)CC1)c1ccc(Cl)c(Cl)c1 1128434201 TUASJAIXQQUPGU-IBGZPJMESA-N 448.412 4.996 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)c1ccc(Cl)cc1F 1129738938 OEMDETPILYTLOQ-KRWDZBQOSA-N 432.680 4.532 30 10 IJEE C=CCCC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1132189256 JQDRJLMKQLJIET-MRXNPFEDSA-N 439.369 4.549 30 10 IJEE COc1ccc([C@@H](NC(=O)c2nc(O)c(C#N)cc2C)c2ccc(C(F)(F)F)cc2)cc1 1137813073 JNAOWRZOTXFNJG-FQEVSTJZSA-N 441.409 4.514 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1143719740 FLCORYZRQBUYSC-GRFAERAESA-N 429.442 4.597 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccc(C)cc3[nH]2)c1 1144938919 QSSOCYXSTQSYEZ-UHFFFAOYSA-N 443.528 4.588 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)cccc2-n2cccn2)cc1 1197961809 CVZBBVJSWUPPIP-NRFANRHFSA-N 425.467 4.989 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1OC 1206321781 WIUXKCFRDIFVPP-PKOBYXMFSA-N 436.980 4.745 30 10 IJEE N#CC[C@@H]1CCCN(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1219446859 CQVDXQMJTURLRL-LBPRGKRZSA-N 439.356 4.726 30 10 IJEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1227004028 AXFQMUQNKFUZGW-DSITVLBTSA-N 430.596 4.768 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2(c3ccc(Br)cc3)CC2)c1 1227996365 DJWABHYTFRFFRP-LJQANCHMSA-N 442.357 4.661 30 10 IJEE C=CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)CCCCC1 1272726572 WMTJUEXCMDBTPB-UYAOXDASSA-N 448.629 4.561 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1ccco1)N(CC)CC 1286368988 XUKHFGJUOJZICD-JOCHJYFZSA-N 433.600 4.988 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCc2ccccc21 1286436458 JFFFNDZVDWRGDI-QGZVFWFLSA-N 438.373 4.615 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=C)c1ccccc1 1286447123 YWUWYEUOSISNEN-UHFFFAOYSA-N 449.599 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC(C)C)C(C)C 1286560630 HGKMMIMBGFBNAL-QPPBQGQZSA-N 448.615 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cc(Br)cs1 1286578072 FOAWXTYZQMJIRG-MRXNPFEDSA-N 425.396 4.794 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccsc1)c1ccccc1 1286678552 ZJZBZQFZILSXNL-OAQYLSRUSA-N 435.597 4.572 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286686256 DWMDRAHWQGITHA-BGYRXZFFSA-N 429.609 4.595 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1CC(F)(F)C1 1286709606 ZAZNKROYKSIXHX-UHFFFAOYSA-N 427.499 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1OC 1286741542 IQVBMBIVDJUNGL-LADGPHEKSA-N 442.567 4.528 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)cc1C 1286754884 VLWZKAAWEKQMOI-UHFFFAOYSA-N 444.352 4.904 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286772586 KDMZZFRXIYFPLO-DLBZAZTESA-N 445.995 4.914 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)C)C2)C1 1287234706 GNKMXTINVLYUQY-UPVQGACJSA-N 434.632 4.810 30 10 IJEE C[C@@H]1CCCN(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)C1 1291127531 HYUHBJDQEXCHCB-MRXNPFEDSA-N 447.414 4.724 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccccc3OCc3ccccc3)ccc2c1=O 1300218128 XVBMCJBBQKTTNX-UHFFFAOYSA-N 443.528 4.703 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1nc(C)cs1 1300275133 QHMFVUJINNPGLI-XIRDDKMYSA-N 427.549 4.584 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC(COc2ccccc2)CC1 1300848765 HWPZIEKJDDBTGS-UHFFFAOYSA-N 433.394 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCOC(C)(C)C 1300879939 GEGCFYKOEUMZDK-PXNSSMCTSA-N 432.996 4.831 30 10 IJEE C=C(Cn1c(N(C)Cc2ccoc2C)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1301010861 RDQIFCLPEDQNLB-RUZDIDTESA-N 436.556 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCSC2)CC1 1301119815 XPSDNPIOAZMHEI-LJQANCHMSA-N 442.629 4.898 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1301176650 HJEVPPQUQPOHCX-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1301226258 DZOSPGYGPIZCES-HSZRJFAPSA-N 443.016 4.734 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@]1(C)CCCS1 1301341775 PVAOCMKFOGMBMZ-RUZDIDTESA-N 444.608 4.614 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1Cc1cnn(C)c1C 1301364994 DSHVUOWZXBGMIK-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1oc(CC)nc1C 1301383480 IPYFKTNXPUUEFN-UHFFFAOYSA-N 430.512 4.686 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CC(C)C)C1 1301531214 FSXKTLLTHACHJK-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1301964888 FPMRZVWYTSVUMI-CEYNDMKZSA-N 433.604 4.533 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1CC(C)(C)c1cccc(F)c1 1303065647 HLWYSHSWYLYGBH-UHFFFAOYSA-N 435.551 4.618 30 10 IJEE Cc1nc(C)c(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1304643303 HAGASQOVVKVDSJ-QFIPXVFZSA-N 441.004 4.774 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2ccc(CC)c(Cl)c2)CC1 1307761654 JLVVRAOJLJLQBM-SFHVURJKSA-N 432.033 4.689 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](CC1CCCC1)c1ccccc1 1309331485 GNPTXOJYBNNISJ-IBGZPJMESA-N 433.371 4.921 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](OCCC)c1ccc(F)cc1C 1349069384 ZADQTPVJCQNPGJ-QFIPXVFZSA-N 430.472 4.731 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 1357127755 BMIMUGKEXCSZBZ-UHFFFAOYSA-N 449.501 4.619 30 10 IJEE CCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(Br)c1C#N 1357323282 HULZOJBTECSBLG-UHFFFAOYSA-N 443.219 4.756 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CCCc3sccc32)c(C(=O)OCC)c1C 1357817590 OUPYJKXZTCXIBI-CQSZACIVSA-N 433.551 4.696 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1358907330 LBLBCHKXTFOZHP-SUMWQHHRSA-N 444.860 4.697 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)c1cccs1 1358973092 FHWIIPYZAXILJW-UHFFFAOYSA-N 438.984 4.719 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(Cl)s1 1358991364 XGQWCPBMBZVYLR-UHFFFAOYSA-N 433.968 4.663 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC 1359093775 SKBLUSCCXWGNLB-KBXCAEBGSA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(c2ccccc2F)C1 1359112373 HWMIVSUYSNBZPK-UGKGYDQZSA-N 427.568 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H](C)c1ncc(C)s1 1359116191 BGNMMGRPWIVXFC-INIZCTEOSA-N 429.565 4.967 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](OCC2CC2)C1 1359155713 HLINWFMRWVEPNU-FQEVSTJZSA-N 430.980 4.567 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1359165972 AVYQANIXAWUDDK-PGRDOPGGSA-N 430.543 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1359191689 JQXJJWLREKIBFU-MSOLQXFVSA-N 425.602 4.661 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](CC)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1359196091 XFLOQRFWLRIHIS-SYVJQLTCSA-N 438.616 4.917 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1359216759 CPVWJUXPOGRFQW-RBUKOAKNSA-N 430.543 4.756 30 10 IJEE C=CCCCn1c(N(C)Cc2ccc(C)o2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359221162 SWEKJFYHDSXEGD-HDICACEKSA-N 429.565 4.553 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1359230730 DBGVYUAIIMGCHN-RBUKOAKNSA-N 429.584 4.690 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1CCO[C@@H](C)C1)C1CC1 1359248243 GIUHPWIFHDLSLW-IRXDYDNUSA-N 430.980 4.967 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NC1CCCCC1 1359267691 OJFVIGRAEOTBBB-UHFFFAOYSA-N 427.980 4.616 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(OC)CC2)cc1 1359308782 YXEWSNDHAQLPKK-RUZDIDTESA-N 426.605 4.875 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359337642 XKGNFTSEEGQBDQ-FBBABVLZSA-N 446.592 4.624 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccccc2C)c2c1CCC2)c1ccc(Br)cc1 1436651074 JEICAZHIVYDXPX-LJQANCHMSA-N 434.337 4.536 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(C(F)(F)F)c2C1 1454536419 GKQCAKKOYIKTLA-SFHVURJKSA-N 426.479 4.840 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCCN1C(=O)OC(C)(C)C 1458232404 IYTYGBZUNLZCQS-FQEVSTJZSA-N 428.863 4.673 30 10 IJEE C=CCn1ncc2ccc(NCc3csc(N(C(C)=O)c4ccc(OC)cc4)n3)cc21 1462622695 ICTRPBYVBKHMOY-UHFFFAOYSA-N 433.537 4.984 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C 1462940778 BQXDFSPZXZFTBA-FQEVSTJZSA-N 430.548 4.518 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2 1469876131 BOWCLCWBJZWKFE-GOSISDBHSA-N 434.580 4.803 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)C(=O)OCC 1472925966 GWMYUSZKVUQRJM-UHFFFAOYSA-N 440.590 4.846 30 10 IJEE COc1ccc(-n2nnnc2SCCC(C#N)(c2ccccc2)c2ccccc2)cc1 1472966015 CENCIGARWACHDQ-UHFFFAOYSA-N 427.533 4.663 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1476423014 GBSWFZCIJWQHTH-UHFFFAOYSA-N 430.508 4.793 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(C(C)(C)NC(=O)OC(C)(C)C)cc2)cc1 1477184253 AVZLPTSTUVODLF-UHFFFAOYSA-N 437.540 4.780 30 10 IJEE C=CC[C@H]1N(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)CCCC1(C)C 1477274047 HSLOOIOOKTULEU-XMMPIXPASA-N 426.649 4.674 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1477864047 PPENXFVRZDKTST-FCHUYYIVSA-N 429.967 4.930 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1noc2c1CCCC2 1507702629 VTNDOUXCZYYRAZ-UHFFFAOYSA-N 435.547 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCOC 1507797463 PLGCODCAIPQNPY-UGKGYDQZSA-N 444.645 4.729 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccc(C)c1 1507846753 WNEIGSZJHPTXKE-QFIPXVFZSA-N 437.613 4.876 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCCC)CC1)c1ccccc1 1507851196 HTRXIJVYPRARQY-XMMPIXPASA-N 431.584 4.763 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2cccc(C)n2)CC1 1507881245 SIYAPEGGQGFMFV-UHFFFAOYSA-N 438.373 4.810 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1507909370 CTCXCFQFUZKDGX-WIOPSUGQSA-N 440.588 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1507910143 HPHDAZFXNVGRNK-ZWKOTPCHSA-N 442.633 4.638 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](OC)[C@H](C)CC 1507972005 FCMDTFMSIJIZDE-DYVFJYSZSA-N 425.346 4.530 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C)c1)C1CC1 1507996411 WUHRGOZCYDAOPP-NRFANRHFSA-N 437.588 4.862 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCC1 1508015062 JABHJZGHSFSTJO-UHFFFAOYSA-N 434.613 4.651 30 10 IJEE CCC(CC)(Cn1c(CC2CCCC2)nnc1N(C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C 1513270168 GGANFTCOROHOMZ-SFHVURJKSA-N 446.640 4.833 30 10 IJEE C=CCCN(C)C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 1522494622 UNYHICCPTLYHRJ-UHFFFAOYSA-N 436.581 4.590 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)c1ccc(Br)cc1 1525055249 ZSKGFNXOFSPNQK-HXUWFJFHSA-N 437.293 4.749 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)cc1OC 1526248593 GQGIFZHSFMKXBS-RKMNRJFLSA-N 446.316 4.979 30 10 IJEE C#C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1)c1ccc(F)cc1 1528046976 BQEAKFJATJPPMK-VWLOTQADSA-N 439.490 4.850 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccccc2)nc2cc(C)c(C)cc12 1531580617 PIYJDZGDFSWJLQ-UHFFFAOYSA-N 428.532 4.936 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@](C)(CC)c2ccc(F)cc2)nnc1-c1ccco1 1531621531 OCAIUAHCNQWGDF-QFIPXVFZSA-N 428.533 4.787 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nnn(-c3cccc(Cl)c3)c2CC)C(F)(F)F)cc1 1532569901 FJQHYTNZLOFEKM-IBGZPJMESA-N 433.817 4.925 30 10 IJEE CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1533275512 FRGBVBIZYSEQGM-IBGZPJMESA-N 437.341 4.566 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)OCc3cc(Cl)ccc3OC3CCCC3)cc2C1=O 1533317868 SYMYLYJCTLBSHL-UHFFFAOYSA-N 439.895 4.800 30 10 IJEE C=CC[C@@]1(C(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)CCCN1C(=O)OC(C)(C)C 1538373949 NMHLFQUKPPTTFC-DRTRNHDVSA-N 432.605 4.528 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1539125239 XLKUWWAJNDFUHF-UHFFFAOYSA-N 448.386 4.743 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccccc1N1CCCCC1 1539331556 UAUJKDYEONFHMX-UHFFFAOYSA-N 429.612 4.512 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccccc1C 1539519854 KOCWJLZMVJZFPE-NRFANRHFSA-N 437.638 4.650 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](OCC2CC2)C1 1539785822 DEDPXMQHOWPCGH-QGZVFWFLSA-N 437.371 4.755 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOc2ccc(F)cc2)CC1 1539839695 BOFUQBVYCAJBOH-UHFFFAOYSA-N 427.911 4.758 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1539898312 RGUMVNUDFQCCPW-NLFFAJNJSA-N 426.605 4.673 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H](C)c1nccs1 1540133605 IAZVVIHUDGXVHS-QGZVFWFLSA-N 434.544 4.932 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1Cc1ccnc(OC(F)F)c1 1540134776 ZUWGZGWTQJPHEX-UHFFFAOYSA-N 431.462 4.778 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1Cc1csc([C@H](C)OC)n1 1540153948 OIJHFYASZXWQMH-HNNXBMFYSA-N 429.977 4.989 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCC2CC2)C1 1540912386 WWMDCUWPMJRODS-GOSISDBHSA-N 433.021 4.913 30 10 IJEE CC(C)N(C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)CC#N 1541603939 BSHIFVDMOJZGAG-OAHLLOKOSA-N 431.009 4.892 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCCN1C(=O)OC(C)(C)C 1544516984 GEZPQUJOHSOFGQ-ATIYNZHBSA-N 441.616 4.594 30 10 IJEE CCOC1CC(CCn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1 1548017109 CCYOUDFRRRUWPD-UHFFFAOYSA-N 433.600 4.946 30 10 IJEE C#C[C@@H](NC(=O)c1oc(COc2ccc(C=O)cc2)cc1C)c1ccc(Cl)cc1F 1556560106 YXYRAHQBWLDXPZ-OAQYLSRUSA-N 425.843 4.876 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1562369848 VQRYDRVELSYYML-UHFFFAOYSA-N 437.540 4.866 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1564913536 NPDDHROGABEMCC-TZRRMPRUSA-N 449.595 4.876 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1F 1584733295 NGRKZUQTQOZMOT-IEBWSBKVSA-N 434.939 4.697 30 10 IJEE C=CCC1(NC(=O)c2cc(I)cc(Br)c2C)CCCC1 1586371584 KFWQBXIOTVVOJQ-UHFFFAOYSA-N 448.142 4.981 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)c(F)c1 1588099147 IAUKZYAWBCBSMI-MRXNPFEDSA-N 436.531 4.531 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(OC)c1 1588194638 YPSCLKSAPIWTHH-UHFFFAOYSA-N 444.604 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)Cc1ccccc1 1589178105 RKKYUNKCDCOKCT-KBMIEXCESA-N 449.002 4.506 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)CC1CCC1 1589514356 GFYBUOQIRDKHEW-CVDCTZTESA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1593666520 DIJXKEBNPRQLOL-UHFFFAOYSA-N 436.585 4.886 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1593711833 JRTAMMLXECLORF-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1594491867 MVKWNVGTMQPBEE-UHFFFAOYSA-N 439.604 4.838 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(CC)C1)c1ccccc1 1594552646 PRUNMDOMUPLPHI-HZLPDVBGSA-N 438.616 4.988 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1594767721 ZGBMIWPZASVKSO-HXUWFJFHSA-N 439.947 4.529 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)O 1595166789 XVSKWGMBXDKDOD-UHFFFAOYSA-N 428.627 4.904 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1sccc1C 1595267364 SOUTXGVCMHZWCG-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595878133 JCFQPADTSWDDEY-IEBWSBKVSA-N 449.665 4.594 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC23CC3)ccc1Cl 1596269151 DVEXQGHRTSINDE-OAQYLSRUSA-N 444.984 4.784 30 10 IJEE C#CCN(Cc1csc(CCc2ccccc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1620580055 KDIBLAYLKZCLSX-UHFFFAOYSA-N 439.625 4.763 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc1OC 1621992318 BFGAMFHJGQURBW-XFFZJAGNSA-N 431.454 4.993 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 1622914435 VFHPDTASSBULKG-UHFFFAOYSA-N 440.547 4.835 30 10 IJEE CCCN1C[C@@H](CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CC1=O 1625677779 DZGZKKBSEAULNZ-OAHLLOKOSA-N 442.972 4.743 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(OCCCOc3ccccc3)c(Cl)c2)C1 1627755376 OFSMVFVZWOFZLA-FQEVSTJZSA-N 430.932 4.997 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 1629832865 URTWGPMYMUYWCZ-UYAOXDASSA-N 442.044 4.525 30 10 IJEE O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H](F)CC1CCCCC1 1629967515 FSBDFNIBAVZQHL-DOTOQJQBSA-N 429.376 4.880 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2C1 1631079277 ASYOKZUNTCPUIR-GOSISDBHSA-N 425.554 4.816 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Nc1ccc(F)cc1F 1632959232 MSUQPHKCODWUIJ-FQEVSTJZSA-N 429.467 4.954 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)COc1ccc2ccccc2c1Br 1634789693 NGEVGUJFJKRJJW-UHFFFAOYSA-N 428.257 4.771 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1)c1ccc(Br)cc1 1635130339 FZWMHVDXQAGGFD-MSOLQXFVSA-N 431.330 4.591 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 1635932869 QCMICOPPCMWIAD-UHFFFAOYSA-N 426.388 4.987 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(-c3cc(C)ccc3F)[nH]n2)CCCN1C(=O)OC(C)(C)C 1638521191 UQFOATVVWPEAIL-HSZRJFAPSA-N 428.508 4.809 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1640186757 QPCIZNOMGHGLPT-IBVKSMDESA-N 442.559 4.732 30 10 IJEE C=CCOc1ccc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1OC 1641122053 LIUUCJLBERTIAQ-UHFFFAOYSA-N 430.548 4.919 30 10 IJEE CC#CCN(C)C(=O)CN(CCCCC)C(=O)OCC1c2ccccc2-c2ccccc21 1641702714 XLJSCHILYYXTHQ-UHFFFAOYSA-N 432.564 4.909 30 10 IJEE O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 1643693083 AHHGUKTYOWRYDF-MRXNPFEDSA-N 447.310 4.878 30 10 IJEE N#Cc1cccc([C@H](NC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)C(F)(F)F)c1 1644213581 FVJIAMRLDVQXPK-INIZCTEOSA-N 439.315 4.864 30 10 IJEE C=CC[C@@]1(C(=O)N(C[C@H]2CCCc3ccccc32)OC)CCCN1C(=O)OC(C)(C)C 1645896953 UWHRYRPTXCLLPA-NLFFAJNJSA-N 428.573 4.842 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(-n3nnnc3C(C)C)c(C)c2)cc1OC 1650935567 NQUFOQVHZCOXPT-UHFFFAOYSA-N 427.936 4.933 30 10 IJEE CC[C@@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CN3CCOC[C@H]3C#N)sc2c1 1652713912 FVFCFRVGAVPOKJ-WIYYLYMNSA-N 448.592 4.567 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCc2ccccc2Cl)nnc1-c1ccc(C)cc1 1652741514 LSEJDPYQFHRYPS-MRXNPFEDSA-N 426.973 4.890 30 10 IJEE N#Cc1ccccc1OC[C@H](O)CNC1(c2ccc(Br)cc2)CCCCC1 1654214995 GGVHGMBYBISKAE-HXUWFJFHSA-N 429.358 4.510 30 10 IJEE C#CCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@@H]1CCCc2ccccc21 1660323201 AKSLBJVOWBIPMV-RUZDIDTESA-N 426.564 4.749 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 1660396069 HCCPIWCJLBRNRU-CRAIPNDOSA-N 439.762 4.563 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1Br 1661643669 CLLMCGTVBSLTGA-UHFFFAOYSA-N 426.314 4.712 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)c(Br)cc1C 1666803930 IJKMWYXNLNYCBH-UHFFFAOYSA-N 439.762 4.660 30 10 IJEE C#CCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCCc2ccccc21 1668221682 HSFVIYFJMQENHZ-NRFANRHFSA-N 429.911 4.942 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(F)(F)F)c(OC)c1)c1ccc(Br)cc1 1669610353 RJHFVRHGJWDGBI-HNNXBMFYSA-N 427.220 4.973 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 1672210376 VFRXFZLQZZPMEZ-QGZVFWFLSA-N 433.302 4.826 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1)c1ccc(Cl)cc1 1674020562 NKNRDTDMCSAPSK-FQEVSTJZSA-N 426.948 4.719 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(Cc3nc(C(=O)OCC)cs3)CC2)CCCC1 1674373054 YJQOMJCAKNCYHB-UHFFFAOYSA-N 433.618 4.811 30 10 IJEE C=CCc1cc(CNC(=O)NC(C)(C)c2ccccc2Br)cc(OC)c1OC 1677966472 FZYAUCUBCVPVRB-UHFFFAOYSA-N 447.373 4.929 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 1678200163 LSYNBPKDOKKLAG-PZJWPPBQSA-N 447.551 4.696 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(I)cc1F 1679080879 DNLSFCGZLHTWOS-UHFFFAOYSA-N 440.256 4.659 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NC/C=C\c2ccc(Br)cc2)c1 1684601850 AMKCOLLPGHPWNC-UTSMFGRCSA-N 428.330 4.643 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1689887152 QFTXTZSJPXBQCW-UHFFFAOYSA-N 430.512 4.529 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC1CCOCC1 1690237814 AYRXPIDNHSEBPP-RBBKRZOGSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CCC)CC1CC1 1690247774 FVZATOGUYBHQHN-MBSDFSHPSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1(O)CCC1 1690259276 CXCQJTXJQGGLEH-UHFFFAOYSA-N 433.394 4.724 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)c2ccccc2)CC1 1690335968 OROGVOLWYIGRIC-UHFFFAOYSA-N 443.382 4.851 30 10 IJEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=C)Br)CC1 1690413201 KIVPVPLHLXYCIM-UHFFFAOYSA-N 426.362 4.661 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(C)C)CC1 1690439680 MDWWEVDQHKQOBO-NHCUHLMSSA-N 431.669 4.766 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1690447220 MAVBBNBIOARYSY-WBADGQHESA-N 438.616 4.782 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1(COC)CCCCC1 1690561295 KLLZSKWFCSNVIL-HSZRJFAPSA-N 449.599 4.791 30 10 IJEE CCCCN(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2C(C)C)CC1 1695237522 AJAKZTPAYCMUAM-BJKOFHAPSA-N 434.632 4.982 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1705707218 HDFBRXNTSVPQHD-XFKSJGNHSA-N 445.633 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCC[C@H](C)C1 1705720117 XXRXEIWVQFFETG-FQEVSTJZSA-N 425.621 4.608 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1705721946 LHCMBAHOCVEXFJ-FQEVSTJZSA-N 439.604 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1705787809 FQXFFJAQLZRXGI-SFHVURJKSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705791167 PHACVPKICGBANN-UHFFFAOYSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1705816362 DBAVRTLYJMWTIU-CQSZACIVSA-N 449.506 4.561 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](C)C1 1705877380 FGOAXSQGUJMALZ-ZGXWSNOMSA-N 429.609 4.663 30 10 IJEE CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1)OC 1708681236 CMINDIRCTDNWOJ-UHFFFAOYSA-N 439.604 4.809 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1nc(C(C)(C)C)cs1 1722304085 UWMSYOKMEOXVNW-KRWDZBQOSA-N 437.613 4.680 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC(C)(C)C1 1722333833 OUCGDYOQPLKJOC-LJQANCHMSA-N 443.636 4.678 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1722380273 XARIZVYSJFGBCF-ZJSXRUAMSA-N 432.612 4.911 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCc1sccc1C 1722418368 OBDLBANQEILAHN-UHFFFAOYSA-N 431.540 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(F)(F)F 1722495900 ULVNKVDNXMVGGO-UZLBHIALSA-N 445.489 4.781 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCCC(F)(F)F 1722498194 RISDBZOPDDLRIC-OAQYLSRUSA-N 436.478 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)nnc1C(C)(C)C 1722498857 FOYHRBNPLQOWOX-SGNDLWITSA-N 447.627 4.888 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1)c1ccccc1 1722595695 YKZGIUXDNNJHMU-CTNGQTDRSA-N 435.538 4.657 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1722613481 YLVZQKSFDCMHDN-UHFFFAOYSA-N 428.993 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1722633862 GHASUWGXNMFMCP-DENIHFKCSA-N 437.613 4.721 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC1CCC(OC)CC1 1722673046 GQFLHJPOXHCPEI-UHFFFAOYSA-N 431.584 4.780 30 10 IJEE CCN(CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N)CCC(F)(F)F 1728499098 AQQSXVUHPFUXMJ-OAHLLOKOSA-N 442.917 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1C[C@@H](C)O[C@H](C)C1 1740541259 VVDYCYULHKUTOD-XUVXKRRUSA-N 448.567 4.779 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1740567158 HLXYPQGKYSIMOG-MRXNPFEDSA-N 430.394 4.856 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC(C)(C)C1 1740590254 KHCONTLMYTXMPF-WOJBJXKFSA-N 443.636 4.678 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCc1ccc(OC)cc1 1740596807 LUOYREQLNOFRCH-DHIUTWEWSA-N 438.616 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCCO1 1740769455 LRTRUALLFUCZBQ-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740776790 BWHIJZDFGKNKAH-HXUWFJFHSA-N 443.611 4.909 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(C)c(OC)c2)CC1 1740837119 QHBYCOFKOSFFCP-UHFFFAOYSA-N 437.975 4.956 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1740856048 OJMAFYRHKXFFAZ-ZACQAIPSSA-N 427.515 4.705 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740865429 UGIAZGWGBHKGPS-ZCNNSNEGSA-N 447.624 4.616 30 10 IJEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)C(C)(C)C1 1740888076 ISMHUCZAWOWHLE-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)sc1C 1742041339 DXPZIFYINUDJIG-GOEBONIOSA-N 442.564 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CCOC)CCC1 1749059924 FYKZFGQNWGISRI-HSZRJFAPSA-N 442.991 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1749127422 LRILUUYVIYOQGB-HARLFGEKSA-N 433.556 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CC1CCN(Cc2ccccc2)CC1 1749152994 KLMUJVLXDITZGA-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1749214332 XLLJWBSXQIAMAV-RBUKOAKNSA-N 448.608 4.872 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(Br)n1 1749384289 YDRCUXRWBLUEKL-GOSISDBHSA-N 448.409 4.908 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@](C)(CC)O1 1749473782 QYLKCDVWSDIZRH-ACJLOTCBSA-N 425.396 4.739 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C 1749553693 SYJLUOWOHBLXRT-GUDVDZBRSA-N 427.559 4.735 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1749613755 HSCWPTOOQYNNHO-UHFFFAOYSA-N 448.346 4.542 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](C)C[C@H]1CC 1749652782 SIOYSRVTIBXBLW-HUUCEWRRSA-N 444.004 4.740 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1 1749690066 MMYMTIMTNHIQPE-HXUWFJFHSA-N 432.515 4.614 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(OC)CCC(C)CC2)C1 1749695721 HWRRRONQJHNLPS-RUPGZQMFSA-N 445.007 4.975 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1749744927 QXODYZCDCKUJRZ-UHFFFAOYSA-N 439.551 4.666 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1749760928 RIZJYLOCJWWQLE-UHFFFAOYSA-N 431.993 4.560 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 1749763697 GOECGDREODEFEU-FHWLQOOXSA-N 449.665 4.894 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 1749763698 GOECGDREODEFEU-OTWHNJEPSA-N 449.665 4.894 30 10 IJEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)sc1C 1751332831 BZYYFSUPNAZIHJ-UHFFFAOYSA-N 432.553 4.671 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1760133206 ZXUYDHWPNNJWIP-OAQYLSRUSA-N 431.584 4.751 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(COC)CC1 1760146852 YIMARVRLISJUGW-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1760151221 UVOUOSPCAJHZKS-LJQANCHMSA-N 444.352 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCC1 1760288484 DKGRYTFBCDJSON-YADARESESA-N 442.007 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1cccs1)N(C)C 1760291688 YIMFHNAIDVEQGQ-SQJMNOBHSA-N 433.625 4.864 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCC(C(C)C)CC1 1760311976 HHCIRMJDRYQRAB-UHFFFAOYSA-N 449.393 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)C1 1760318762 POPGTSVSUAZWTM-VCBZYWHSSA-N 449.368 4.674 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2cccc(OC(F)F)c2)nnc1C(C)(C)C 1760327412 GWQGOOMLOHWXKJ-IEBWSBKVSA-N 434.531 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1760340595 GBAJSQSXHVHDTR-REWPJTCUSA-N 439.648 4.997 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCCCOC)c2)CC1 1760400729 LHXZXOROVTYDCN-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760422753 QWWWFYCARRIYBF-GOSISDBHSA-N 429.996 4.648 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](C)C1 1760427756 ICXSLMPHTRZHFU-GOSISDBHSA-N 449.665 4.691 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1760437206 VJYRDLFWIMMCAI-DEOSSOPVSA-N 428.577 4.714 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(SCC)c1 1760480964 KBEZOWKJCOUKAZ-QFIPXVFZSA-N 449.624 4.920 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2CCC[C@H]21)C(C)C 1760489241 DEPSMQADRXTHFI-ODAXIHTASA-N 427.637 4.597 30 10 IJEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)s1 1761777158 AEAGSXRDAIDDND-RBUKOAKNSA-N 439.560 4.873 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2CCC[C@H]21)N(C)C 1762160876 HGDSJHNPYHUXDA-QTJGBDASSA-N 434.632 4.952 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC2CCCCCC2)CC(C)(C)O1 1763081417 HBGDWJFTPZPMEP-LJQANCHMSA-N 437.588 4.560 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nccs1 1765070656 BYOCWEKWWCVGRR-ZHALLVOQSA-N 436.585 4.614 30 10 IJEE CN(CCc1nccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC1(F)F 1768860124 CTKQWOFFMDPANL-GOSISDBHSA-N 442.539 4.778 30 10 IJEE CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2cccc(C#N)c2)cn1 1858257815 VNAGJSJKBPFOGS-UHFFFAOYSA-N 425.275 4.789 30 10 IJEE CCCCCCCCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 1860193225 KYBOSCXJEKJDMP-OAHLLOKOSA-N 449.393 4.545 30 10 IJEE CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)n2)cc1 1860568128 HIHSSXSFNCNQOJ-SDNWHVSQSA-N 426.476 4.646 30 10 IJEE O=C(/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860724333 GOTDYCHZOBLPNE-KPKJPENVSA-N 449.384 4.702 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)NCc2cccc(C(F)(F)F)c2)cc1OCC 1860735164 HQDUSYFAIJKPNE-CSKARUKUSA-N 435.442 4.792 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862396940 MUISAXOEFRHHQP-HSZRJFAPSA-N 437.536 4.978 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862484497 OCMWHXBPETZHFL-DJJJIMSYSA-N 429.900 4.739 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(O)c2)ccc1F 1862508227 ZERLSJOCUKQWSS-QHCPKHFHSA-N 449.453 4.800 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862598745 YZANABOYVHCKIP-HSZRJFAPSA-N 447.462 4.709 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2F)c1 1862625464 HCFDQPIEWUPFPD-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C(=O)O 1862677633 DZYZCMNZPILMOX-HXUWFJFHSA-N 425.456 4.683 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(C)c1 1862698613 KUGIMPRYYFYCRS-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1F 1862724325 LWEKTYMGIYFXBP-QHCPKHFHSA-N 431.463 4.717 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(Br)cc2)C1=O 1863197364 OJYNWKUYMMXPKE-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE CC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866778865 HODZXXJHKDDPLA-DNQXCXABSA-N 447.485 4.892 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868397812 GBDUPHDWBBAHLB-LJQANCHMSA-N 427.508 4.767 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)n(C(C)(C)C)n1 1870000045 DLADYLRZKPHJKB-SFHVURJKSA-N 425.577 4.741 30 10 IJEE COc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1 1870147152 BATMQFKJNJONFU-UHFFFAOYSA-N 437.503 4.694 30 10 IJEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CSc1ccc(C)cc1 1870254567 BOOPENSCYMCEST-HXUWFJFHSA-N 448.588 4.891 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CSCc1ccccc1 1870303597 BRQVOMLWSNSMGY-UHFFFAOYSA-N 430.614 4.767 30 10 IJEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN(CCC)CCC)cc1=O 1870386712 AMRPAJCOEVNLOM-RUZDIDTESA-N 437.628 4.872 30 10 IJEE CCCCCCCOc1cn(CCCC)c(CN(CCO)Cc2ccccc2)cc1=O 1870409411 RGMZMJCOFDKHPP-UHFFFAOYSA-N 428.617 4.992 30 10 IJEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(C)ccc1C 1871250879 AXRWJXCSILYYCV-UHFFFAOYSA-N 431.536 4.564 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCC 1871800004 YQZSUTVEYQQBEC-KBXCAEBGSA-N 435.417 4.965 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871873535 GSNKDUSBRYVKQG-ZHRRBRCNSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1cccs1 1871973886 FKKBKTFXQGLLOE-OAQYLSRUSA-N 444.553 4.834 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)CCCC 1872454355 GIMPWZMZYMMTOZ-LJQANCHMSA-N 447.066 4.717 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 1872777559 QLQKYFNRKROMHN-MZEUMTGBSA-N 427.485 4.968 30 10 IJEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)COCCOC)n2)cc1 1872777885 YSDALUAJXMCGFA-FQEVSTJZSA-N 430.570 4.999 30 10 IJEE C=CCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873094100 LIEXGMARBWWGAR-UHFFFAOYSA-N 435.738 4.745 30 10 IJEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873170012 KWGGRBKCLGHYIV-UHFFFAOYSA-N 439.559 4.767 30 10 IJEE Cc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873297004 YGBWBAJIJVGLKM-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE Cc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873306863 YLEMEJZPLRRYOG-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611725 OURVAUIGEUAEBI-UHFFFAOYSA-N 437.425 4.899 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660875 UYBMBYPVOLOOCM-UHFFFAOYSA-N 427.508 4.515 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccco2)c1 1874310441 WFPFKOJAVAZHBA-MFKUBSTISA-N 436.512 4.979 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccc(O)c2)cc1 1874348919 KMILHWDZPSTDCS-CVKSISIWSA-N 448.523 4.897 30 10 IJEE Cn1cccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccccc1F 1874355554 PSGYAWVRPPUSDQ-AFUMVMLFSA-N 435.528 4.647 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccn2)c1C 1874426239 XWZHVILIABNZFY-CVKSISIWSA-N 442.548 4.570 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 1874451452 ZRNQSABRNSCLKS-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874490328 KZFCZPKVCUAMIG-YDZHTSKRSA-N 434.009 4.553 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874509064 JHNCNZCEWSVOPR-UFFVCSGVSA-N 428.389 4.551 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1c(F)cccc1Cl)Nc1ccccc1 1874516579 FLVQFUHVTCWZFM-FOKLQQMPSA-N 429.908 4.561 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874521784 LUGLZRZFDRDLAD-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CC2)n1/N=C/c1cccc(Cl)c1)c1ccccc1 1874523156 FJJPFQFLJCTZRY-MMTYYTLLSA-N 439.972 4.661 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2CCc2cccs2)cc1OC 1874561667 BUSBLDBTBRTPAD-PXLXIMEGSA-N 430.599 4.873 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC(=O)Nc1ccccc1 1874592986 MGEOXSVCAORGMG-ZRDIBKRKSA-N 432.432 4.517 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC 1874621792 VAYSIKUYKDHRRP-FNORWQNLSA-N 436.863 4.724 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)cc1OC 1874693886 AZZTUFMZYWQFII-ACCUITESSA-N 432.472 4.974 30 10 IJEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 1875108876 KTNFDEHLQNGLIL-FPYGCLRLSA-N 439.689 4.559 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922073962 JDVMJVVJODOVEQ-RDGATRHJSA-N 426.557 4.602 30 10 IJEE N#Cc1cccc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951418719 OJOAYJUPXPHJCY-IBGZPJMESA-N 426.472 4.655 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@@H](c4cccs4)CS3)COC2)cc1 2006830010 RKAGBACBJMZXRO-JOCHJYFZSA-N 449.645 4.953 30 10 IJEE C#CC[C@@H](C)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2020075703 SPROISFFJCSQGO-GGAORHGYSA-N 427.633 4.574 30 10 IJEE COc1cc(C=CC(=O)c2ccc(NC(=O)NC(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F 2053573682 FBGZBCFVEYFWKO-UHFFFAOYSA-N 449.410 4.631 30 10 IJEE C#CCCN(C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1 2059617529 XVKLGZNMJYLECJ-QFIPXVFZSA-N 442.600 4.671 30 10 IJEE C=C(COC)[C@@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071351816 SLHJOHBOZNJUDB-KAYWLYCHSA-N 433.548 4.669 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)c(F)c1 2079051740 KMWJLBRMZCSPCS-JDYBYSMLSA-N 441.288 4.866 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)C3CC4(CC(OCc5ccccc5)C4)C3)C2)OC1(C)C 2104020105 AFBYDAWAGYGOEN-UHFFFAOYSA-N 437.389 4.552 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2118191885 JXIAEPWDTNKTSD-WBMJQRKESA-N 426.330 4.732 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 2159128590 UEXOTSNBBQJZBU-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2ccc(Br)cc2C#N)(C(F)(F)F)C1 2167681598 ZYICDGCFDHWIME-KRWDZBQOSA-N 448.283 4.922 30 10 IJEE C[C@@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1c1cc(Br)c(C#N)cc1F 2174809545 BCIHCSWNCQKJLU-ZIAGYGMSSA-N 440.357 4.980 30 10 IJEE C[C@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180963352 OFSJMNFBLVVDDV-RBZFPXEDSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1C#N)c1ccccc1 2181138272 ZELZDZYDZVLWIL-QGZVFWFLSA-N 430.302 4.525 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1 2181148714 ZULRZWSEKBPQBO-HIFRSBDPSA-N 436.350 4.733 30 10 IJEE O=C(NC[C@@H](NCc1cc(F)ccc1C(F)(F)F)C(F)(F)F)OCc1ccccc1 2181262309 XTIZYNQASLLRBS-MRXNPFEDSA-N 438.343 4.791 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2185919148 GKJGYSFUCQAURJ-KRWDZBQOSA-N 438.341 4.686 30 10 IJEE O=C(NCCCCC[C@@H](O)C#Cc1ccccc1Br)OCc1ccccc1 2214987256 JNJZMBCFGBFXDI-HXUWFJFHSA-N 430.342 4.648 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(F)(F)F 2229125116 XVRIAYXITQWKGW-CABCVRRESA-N 437.300 4.591 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC=CCN1C(=O)OC(C)(C)C 2235716975 AGICXFXEHLEVLW-PMACEKPBSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@H](N)C#Cc1ccccc1Br 2235721747 BMHXWSOWTSZRQN-KNQAVFIVSA-N 429.358 4.568 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2245893433 NDORBTTXRWUCFO-AUUYWEPGSA-N 433.471 4.634 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2258808374 YGORLSCBENMHSH-UCGXPXSYSA-N 446.632 4.574 30 10 IJEE Cc1cnc(C(=O)N(Cc2ccccc2)c2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2267572894 BMUDTJHZCGJCLQ-UHFFFAOYSA-N 428.341 4.536 30 10 IJEE CC1(C)OB(c2cnc(Nc3cc(Cl)cc(Br)c3)c(F)c2)OC1(C)C 2269004387 HRHOLCTZFFTPKH-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CCC1(COc2ncnc(Cl)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2272231806 JJUYXLLJQPQTJY-UHFFFAOYSA-N 446.773 4.865 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)Cc2c(F)cccc2B2OC(C)(C)C(C)(C)O2)CO1 2273788156 SESHVTGPQKNVQI-HXUWFJFHSA-N 439.380 4.695 30 10 IJEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 2296124762 TVKSCAWUSKTCBO-KRWDZBQOSA-N 440.710 4.715 30 10 IJEE CCCOc1cccc([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 2296132959 RMMWGMZWMUHDJD-HSZRJFAPSA-N 446.478 4.631 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC(F)(F)CCNC(=O)OC(C)(C)C 2296267793 XACWBBALKKGWLY-QGZVFWFLSA-N 445.348 4.719 30 10 IJEE CCOc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296930294 NQHZVVLRZIODJZ-HXUWFJFHSA-N 434.517 4.785 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCO[C@@H](c4ccccc4)C3)C2=O)cc1 2297576174 WMOXJCAFJCPDJA-RUZDIDTESA-N 443.499 4.591 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2302617224 GHNASIVLWQBKPV-HRAATJIYSA-N 436.557 4.996 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCC2 2305403929 RNZDCBPIKHGRIE-VWLOTQADSA-N 428.573 4.842 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@](C)(C(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1 2306617186 JSEVJLZCLBDCRA-BAWHURIHSA-N 430.589 4.992 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2C=Cc2ccccc2)s1 2314457105 CSMSNVNOYOUCHK-OAQYLSRUSA-N 444.556 4.922 30 10 IJEE C=CCOC(=O)C1=C(C)N=C2N=C(SCc3ccccc3)NN2[C@H]1C=Cc1ccccc1 2314815594 NVTMEYPLDLJNJZ-NRFANRHFSA-N 444.560 4.551 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 2321086141 JGVCBKDMUIPDKH-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2Cc2ccccc2F)cc1OCc1ccccc1 2321981795 QSNQEIABLOKXRW-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE CCCc1ccc(OCc2nnc(S)n2N=Cc2ccc(OC(C)C)c(OC)c2)cc1 2322156501 WAVYCDFIQRHTPS-UHFFFAOYSA-N 440.569 4.776 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(Cc1nc3ccccc3[nH]1)CO2 2322192808 GEZXXQVCXXPGGI-UHFFFAOYSA-N 441.462 4.979 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2ccc(Cl)cc2)cc(Br)cc1OC 2322542186 OTOODKRHDACPHN-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE C#CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 2322936789 URSQWOQRWKUIRH-AOJNWGRGSA-N 440.584 4.535 30 10 IJEE COc1c(Cl)cc(C=NNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 2323352577 OTBOSYTUTGDBAV-UHFFFAOYSA-N 429.369 4.920 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccncc1)C2=O 2323701846 AHCPOEJVVNJEHI-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)NCc1ccco1 2324009844 GVCKQCSLHCBQPK-UHFFFAOYSA-N 449.503 4.587 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O 2325079505 JQMKWJZLQIFFPL-SFHVURJKSA-N 440.492 4.739 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2325092492 ZKUFKMNUGLGIFX-LJQANCHMSA-N 438.476 4.508 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1F 2325748541 NYLPYRJRKCIRCA-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)c1ccccc1 2325784655 YTCJMVAAPWHIJK-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2325915165 CGAIOIIBWBKNBR-HXUWFJFHSA-N 447.608 4.696 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(OC)cc1 2326618311 WADGZHSUPVUJMT-UHFFFAOYSA-N 431.359 4.786 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccs1 2330819325 OSIQXVUSJJTZQA-UHFFFAOYSA-N 431.562 4.680 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339586595 ICTQOJOCJNCSII-GOSISDBHSA-N 444.381 4.893 30 10 IJEE C=C[C@](N)(Cc1ccc(I)c(Br)c1)c1ccccc1 2349826526 FVFVUJVKQNHNIE-INIZCTEOSA-N 428.111 4.636 30 10 IJEE C=C1CC(C[C@H](NCCC)[C@H](O)c2sc(Cl)cc2I)C1 2366647785 KCRQNLDMKOCHOX-JSGCOSHPSA-N 425.763 4.764 30 10 IJEE CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2C)c2ccccc21 3041718 FXEXVCGHYOISAZ-VYIQYICTSA-N 428.561 4.795 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2cccnc2)cc1 5921358 IMSJZWXSQHOGGF-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c1OC 21349622 ICDSNJXJPRGBCV-FPTDNZKUSA-N 432.476 4.664 30 10 IJEE Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 26843040 FDJBWYRLJRQLFT-ZDUSSCGKSA-N 437.546 4.724 30 10 IJEE C=C(Br)Cn1c([C@H](C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21 40193487 JMMOAXCLFKZUCN-AWEZNQCLSA-N 448.748 4.855 30 10 IJEE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823932 FAPUMOSVXSCNAC-VUTHCHCSSA-N 440.563 4.919 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1 40844611 SWLMFCYWOGJENR-GXDHUFHOSA-N 440.451 4.785 30 10 IJEE Cc1cccc(NC(=O)N2CC[C@@]3(C2)Nc2cccnc2N/C3=N\Cc2ccccc2)c1 96309986 FZFXIECWLZBALS-VWLOTQADSA-N 426.524 4.503 30 10 IJEE biogenic Cc1ccc(OC(C)(C)C(=O)N[C@@H](C)[C@@H](Cc2ccc(O)cc2)c2cccc(C#N)c2)nc1 137797582 GCANRIIBPBAEAM-YADARESESA-N 443.547 4.656 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(OC)c2)cc1 169939150 FOOJEOXFXLTJQZ-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1 170098292 MDNYABRQZYARFJ-NRFANRHFSA-N 430.485 4.991 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccn1 170170235 CHVDQISKBMUGOJ-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccncc2)c1 170206956 WGLXZLMXEQIVAC-NRFANRHFSA-N 436.414 4.541 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccncc1 170209544 OTZXKTQSNTUJJT-FQEVSTJZSA-N 440.927 4.963 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(F)cc2)c1 170238975 TUOPAPBHUFXXIE-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1sccc1C 170313029 ZSAZRVVPIPTTAL-HXUWFJFHSA-N 443.565 4.624 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1ccco1 170316405 BLNHYLBHGNPEMM-HXUWFJFHSA-N 435.501 4.753 30 10 IJEE CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](COc3ccc4ccc(=O)oc4c3)C(C)=CC(=O)[C@H]2C1(C)C 257549609 TXEAVXYHQMQTHQ-KHONARIJSA-N 438.520 4.691 30 10 IJEE N#CCOc1ccccc1CNc1ccc(I)cc1Br 312853013 WPNRLPBXNOCWAS-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE N#Cc1ccc(CNc2ccc(Br)c(I)c2)cc1F 404152877 TURARMHDLZRNIT-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(F)c1Br 407124625 PWWINRXDMRITKV-WMLDXEAASA-N 431.321 4.685 30 10 IJEE Cn1nccc1[C@H]1CCCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 439363479 YWTFESHQGAQFRM-XMMPIXPASA-N 429.524 4.824 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501722389 PIRUWKUQEQNIIT-AWEZNQCLSA-N 446.334 4.510 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 508845507 NXBHQTWAEAZJOP-OAQYLSRUSA-N 440.569 4.566 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(O)c(OCC)c1 526823141 RDCNHSBCVKEPEA-MYYYXRDXSA-N 435.553 4.771 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 549685918 XQNATLSJLWSHOB-UHFFFAOYSA-N 444.579 4.861 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2ccc3c(c2F)CCNC3=O)c1 551376052 ZRPYTAPUISNALT-UHFFFAOYSA-N 435.842 4.681 30 10 IJEE CSc1nc(O)c(C(=O)Nc2nc(C)c(Cc3ccc(Cl)cc3F)s2)cc1C#N 565990221 VNQHMCMJYIGNOZ-UHFFFAOYSA-N 448.932 4.781 30 10 IJEE Cc1cc(N(CCCC#N)S(=O)(=O)c2ccccc2Cl)ccc1Br 586228029 OCCVMATWUKBESL-UHFFFAOYSA-N 427.751 4.910 30 10 IJEE N#Cc1cccc(C(=O)NC2CCC(OC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 586505511 DGLKRILQZSXQGK-UHFFFAOYSA-N 438.527 4.975 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608875527 RBHCUCCZQZWCOU-QGZVFWFLSA-N 430.386 4.669 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@]34CCC(=O)N3c3ccccc3S4)c2)s1 739597635 APYWIXKPYUEFQF-HSZRJFAPSA-N 431.542 4.532 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2)s1 740058765 BLRRFZWYGYQXNX-UHFFFAOYSA-N 444.560 4.847 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(Br)cc2)[n+]2ccccc2)cc1 762438543 IFFBKJWXZIRXCU-UHFFFAOYSA-O 437.342 4.932 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 775732448 MZMQIKXALUURBV-IBGZPJMESA-N 439.712 4.717 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 790255079 VUBDGAWOIOONRZ-QHCPKHFHSA-N 430.549 4.501 30 10 IJEE C=CC[C@]1(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)CCCN1C(=O)OC(C)(C)C 790852892 WCNLBFCGBAXXDY-HSZRJFAPSA-N 431.964 4.697 30 10 IJEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 792747471 KDOWMXMOFJFJLX-TZIWHRDSSA-N 437.540 4.815 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 794894852 LLZHSAHRJYIZIB-JOCHJYFZSA-N 443.503 4.532 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](c2ccc(C)cc2C)C1 800783062 LUVCNRVNAMBIKN-QFIPXVFZSA-N 445.567 4.501 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1ccccc1Cl 802553288 HFJIAHZWKTUWEV-UHFFFAOYSA-N 439.947 4.570 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 804453273 WFOZKDGHFPTARS-QFIPXVFZSA-N 448.632 4.934 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@H]1C[C@@H]1c1ccccc1Cl 920371921 XPLZLEIXDXFLAI-RTBURBONSA-N 432.977 4.501 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nnc(SCc2cccc(Br)c2)n1N 1084074524 WZDJRSCDQKZXHF-UUVGIRHZSA-N 443.374 4.548 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(Cn2cc(Br)cn2)s1 1124394828 AYBSCBCEJKJJIU-UHFFFAOYSA-N 433.327 4.712 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1 1125223400 WWWFPXMKRKZQLZ-UHFFFAOYSA-N 439.902 4.905 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)c(OC)c1 1126410461 KOQJNOSFALLNMS-OAQYLSRUSA-N 439.552 4.521 30 10 IJEE Cc1cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)nn1-c1cccc(C(F)(F)F)c1 1130482580 HDUBNNLFEIRXML-UHFFFAOYSA-N 437.381 4.979 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 1143741267 NIJBGSUMVOYFTP-UHFFFAOYSA-N 435.527 4.931 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)nc2cc(Br)ccc12)C(C)C 1144197886 MZCMHHHLPUVGQT-NRFANRHFSA-N 430.390 4.734 30 10 IJEE CC[C@H](CC1CCCC1)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1144758549 HCNMMDRQHMAOME-NQIIRXRSSA-N 432.406 4.764 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2Nc2ccccc2)c1 1156230185 LDOLGANJVCTDNE-UHFFFAOYSA-N 441.940 4.800 30 10 IJEE COc1cc(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c(F)cc1C#N 1207879506 GZSYVVHDJWNVQN-QGZVFWFLSA-N 436.256 4.977 30 10 IJEE C#CCN(C(=O)Nc1ccc2ccn(C)c2c1)[C@@H]1CCOc2ccc(Br)cc21 1216730861 DMNANBNQQFKCRH-LJQANCHMSA-N 438.325 4.932 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 1220476968 CISXIKXPXHQEMD-AVRDEDQJSA-N 431.536 4.514 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 1227538146 GZPWELILECSGSK-XWDORNJCSA-N 442.332 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCCO1 1286279731 XDRZKOXWDFQITA-NSHGMRRFSA-N 430.980 4.715 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccc(F)cc1 1286337479 IWVLVPYFUCZVEM-UHFFFAOYSA-N 444.352 4.625 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1286500977 IUASVQRTZKNCGW-XKGZKEIXSA-N 445.032 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286570909 JUISYIHMJAMKPZ-JPYJTQIMSA-N 430.980 4.729 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](CC)C1 1286614151 MJIKLBPXSSIXGG-LJQANCHMSA-N 432.659 4.803 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCc1nccs1 1286619542 BJFPNMMUHIJXBI-AWEZNQCLSA-N 438.384 4.959 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCOCc1ccccc1 1286635535 VGIHUUFIFCXZHT-NHCUHLMSSA-N 447.023 4.992 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2OCC[C@H]2C)CC1 1286653902 DGOPZDFSQZNIAR-AUUYWEPGSA-N 449.368 4.674 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2=CCCOC2)CC1 1286654033 CBSBRECDLBMQSF-UHFFFAOYSA-N 447.352 4.596 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286701864 AZHLHHAOPPPPLD-PBHICJAKSA-N 428.886 4.645 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CCC1(O)CCC1 1286763514 KYIJTVOSCTYBGL-UHFFFAOYSA-N 426.948 4.732 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1cccc(F)c1F 1286763974 BCCUTVZMCZPKEL-IBGZPJMESA-N 442.510 4.521 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCC[C@@H](C)C1 1286779792 MQKSZEXTANSZDH-OAHLLOKOSA-N 444.004 4.742 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCOC[C@@H](C2CCC2)C1 1286798611 JRFJKOXGZAMQMT-QFIPXVFZSA-N 438.616 4.733 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C/C=C/CC)C1 1286805933 VRWQXSFPJAWASH-JFDDCEBESA-N 435.341 4.594 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21)N(C)C 1287321321 FGCHLYGSLIYXNM-SMIHKQSGSA-N 434.632 4.952 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1300741512 YNHROPOQZYHOKF-VGSWGCGISA-N 444.004 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1nccs1 1300786059 CLFSIYMJDTUUGB-NTKDMRAZSA-N 435.597 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCc1nccs1 1300901150 LZMJWUDGMRQHJF-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](OCc2ccccc2)C1 1301160167 NNPXRXFOXYJQEV-QHCPKHFHSA-N 448.615 4.538 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301175772 HWJVKIPFUYNWMG-HXUWFJFHSA-N 446.599 4.653 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1301185620 ILFSXMZYAZWJCP-UHFFFAOYSA-N 427.980 4.518 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cn3ccccc3n2)n1CC(=C)Cl 1301355434 VTFXALFXNNKLOR-UHFFFAOYSA-N 436.922 4.601 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCSC1(C)C 1301416130 CBSIXYMQWPIIJZ-NRFANRHFSA-N 440.657 4.919 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(C)CCCO1 1303063690 HPJBWKJKFOAQEA-RUZDIDTESA-N 432.572 4.829 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 1308578393 PANAEHHQCAUWTR-UHFFFAOYSA-N 429.586 4.633 30 10 IJEE Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c2ccccn2)cc1 1309189877 FUCFOSBREXAXEP-NRFANRHFSA-N 445.466 4.543 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)CCCC1(C)C 1309453842 YRVWNCLZLUYUOS-RBUKOAKNSA-N 426.420 4.703 30 10 IJEE O=C(Nc1cc(Br)cc(C(F)(F)F)c1)N1CC(F)(F)OC(F)(F)C1 1310370693 DQFWJGRDLNLTSD-UHFFFAOYSA-N 425.098 4.518 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCCCO1 1358908316 SNRITRWTAVGFCP-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C)(COC)CC1 1359142350 FZXDSAORCPGFOQ-GOSISDBHSA-N 448.995 4.822 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CCCCn2cc(Br)cn2)CC1 1359167350 CMXPXFJSZBFIEJ-UHFFFAOYSA-N 447.425 4.607 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2c(CC)noc2C)CC1 1359181477 UCUABWYHVQJXKK-UHFFFAOYSA-N 435.572 4.783 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359200663 MZNCTYNNTMJOFN-HSZRJFAPSA-N 430.980 4.729 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](C)C1 1359224829 DRXVJFYJYGGSIE-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC(OC)CC1 1359268946 JAEQDKSRUQMEDD-UHFFFAOYSA-N 444.023 4.666 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)cc1C(F)(F)F 1359273851 QRUSZOQBHKHFHW-UHFFFAOYSA-N 448.468 4.524 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CC[C@](C)(CC)O1 1359279792 STIYKBLZWFCCHV-VGSWGCGISA-N 436.959 4.724 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(F)ccc1-n1cccn1 1360644065 MSDNDYSTXFDVDS-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 1360644129 ORUPFJTUPIUVJW-VQTJNVASSA-N 431.349 4.973 30 10 IJEE N#C[C@@H](NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1ccccc1Br 1437946076 YORSWILZPZQLOC-GOSISDBHSA-N 442.700 4.865 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 1438015180 CPNRZXCHVSVHDK-INIZCTEOSA-N 428.326 4.522 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1)C(=O)OCC 1438909456 TZNMOAZUYFCUPH-MRXNPFEDSA-N 445.566 4.513 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c(O)c1 1457714221 GMNPUJBFUJBTRN-UHFFFAOYSA-N 436.493 4.987 30 10 IJEE C=CCN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)Cc1cccc(C#N)c1 1459393549 CKOGNPVNAGJNTI-HHHXNRCGSA-N 427.523 4.933 30 10 IJEE N#Cc1c(NC(=O)CN2CCN(CC(F)(F)F)c3ccccc32)sc2c1CCCCC2 1459612543 IBKNFMZXMANQAN-UHFFFAOYSA-N 448.514 4.716 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2cc(C#N)c3ccccc3n2)(c2ccccc2)C1 1459911246 GJYDBCRCDQFJII-AREMUKBSSA-N 442.519 4.624 30 10 IJEE COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1 1462946965 GWRQJNIZTSUHIJ-HXUWFJFHSA-N 434.561 4.530 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)c1ccccc1 1463357831 ORUPRAIHBADSHR-CYBMUJFWSA-N 433.154 4.799 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1)C(C)C 1464871888 QTABPLPIIBCRHU-NRFANRHFSA-N 435.399 4.916 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)CCCN1C(=O)OC(C)(C)C 1465802205 WSXHOVRSZGUZSR-HFZDXXHNSA-N 447.664 4.835 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 1473163564 KTQPYXSKEUHPEQ-WZONZLPQSA-N 447.595 4.698 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN([C@@H]2CCc3c(Cl)cccc32)CC1 1473352312 FWJYVKNDQLDWHN-RTWAWAEBSA-N 430.777 4.972 30 10 IJEE C#CCN(CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OCC)C(C)(C)C 1473809163 OLQLVXPICDCMFN-UHFFFAOYSA-N 432.973 4.917 30 10 IJEE C#C[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)c1ccc(Cl)cc1 1475366141 RJWHBQQKAIPIEG-MRXNPFEDSA-N 433.154 4.550 30 10 IJEE Cc1csc([C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C(F)(F)F)n1 1475929697 HIOPNDPTOXLTEY-CQSZACIVSA-N 437.472 4.796 30 10 IJEE C[C@@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1493843663 DFHCVQFLYYPXAN-MRXNPFEDSA-N 441.004 4.652 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507522212 UNMWWUSPIGUWOJ-UGUYLWEFSA-N 431.353 4.741 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC(C)C)C(C)C 1507798778 XECXEHNENCUTOP-NZQKXSOJSA-N 442.604 4.814 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)c2cccs2)CC1 1507831000 UWMDFLKAPOFPOQ-UHFFFAOYSA-N 442.535 4.884 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC2CCOCC2)CC1 1507881499 VDWSVODNAOBAMH-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCSC(F)(F)F)CC1 1507909322 ARUOTHLWHDBCCX-UHFFFAOYSA-N 430.471 4.652 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1507925323 FMBPWYSVZXJSIJ-JOCHJYFZSA-N 435.616 4.625 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(COC)CCCC1 1507985756 CASOIRYGRQIWMJ-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CC1)C1CC1 1507992868 GESPHWMGNCULLJ-SFHVURJKSA-N 429.609 4.738 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCn1cc(C)cn1)C1CC1 1507995049 BXHJMBNNQYNHEH-UHFFFAOYSA-N 447.370 4.524 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@H](C)c1nc(C)cs1 1508029098 YCXSLEGWKRGGCT-KRWDZBQOSA-N 434.569 4.737 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2sccc2C)C1 1508117556 RYSPHCCROMULLN-IBGZPJMESA-N 428.989 4.992 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[C@H]2CCO[C@@H](C)C2)C1 1508119017 ZBLNSUNNFXQVLO-NEUULRRLSA-N 438.616 4.807 30 10 IJEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[C@@H]2C)ccc1OC(C)C 1517961832 BDWFRJYTZRIJNW-KDLAUNOPSA-N 441.551 4.619 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOC2CCCCCC2)c1 1518372367 HHKPBFAFMLNHEV-VWLOTQADSA-N 437.588 4.823 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)c1 1520613609 PKGTZRRYAVBVKS-UHFFFAOYSA-N 434.421 4.815 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)N[C@@H](COc3ccccc3)c3ccccc3)CC2)c(F)c1 1521131166 AANMOPORPCOXHS-VWLOTQADSA-N 443.522 4.850 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1522702826 VVEGCHBGEBYENS-CLOONOSVSA-N 445.604 4.857 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)/C=C\c2cccc(-c3ccc(Cl)cc3)c2)n1 1524968534 XIKBHYXBHFHDJM-GHXNOFRVSA-N 433.939 4.525 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(=O)n(-c4cccc(F)c4)c3)cc2)cc1 1527017346 FCXAMQDEDGQYKX-UHFFFAOYSA-N 425.419 4.893 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])s1 1535126425 LZUMVEAXIJBOTO-UHFFFAOYSA-N 446.381 4.759 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])s1 1536628342 FRSIFJIIOXYYDX-LLVKDONJSA-N 425.963 4.667 30 10 IJEE C#CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2 1536686459 HNMSTWGFLUDUOI-NXVVXOECSA-N 434.898 4.894 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCCOC2)C1 1539060156 OJWBXNZXVOADMP-QFIPXVFZSA-N 443.389 4.518 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1cnn(C)c1 1539655450 MAQFPHXHFOJZJJ-GOSISDBHSA-N 438.645 4.900 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)CC1 1539758667 KXXMLAMUELJJQS-UHFFFAOYSA-N 448.558 4.983 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1539778526 CMCWFVHTBUJTFR-IBGZPJMESA-N 443.020 4.746 30 10 IJEE C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC=C(Br)C1 1539793143 LTOHKSUGHZFELW-UHFFFAOYSA-N 432.753 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539909192 IITYLOXYJBOQAU-LJQANCHMSA-N 429.996 4.696 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C 1540004488 AAPGBJOTEXRSQL-ROUUACIJSA-N 449.665 4.689 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@@H]1C 1540004572 BEJISEHIYKUKJE-MOPGFXCFSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 1540010765 TUOFEDWNTOJKCB-UHFFFAOYSA-N 440.590 4.994 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1540920381 WCWOFWBFWPUBGL-SFHVURJKSA-N 425.602 4.520 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@]2(C)CC2(Cl)Cl)nnc1-c1ccc(Cl)cc1 1543656745 CPZQHAQRTBALLP-QGZVFWFLSA-N 445.803 4.577 30 10 IJEE COC(=O)[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CCCCC1 1543865379 HLPTZTQQHCBFSM-NRFANRHFSA-N 426.900 4.856 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)c(C)n1 1547036210 BADYLTXJUTZIMR-UHFFFAOYSA-N 431.588 4.797 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)c(F)c1 1556261756 SJBKAMSOFSANSY-QFIPXVFZSA-N 442.487 4.813 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 1562073840 DNTPKKCHMHUEOG-UHFFFAOYSA-N 439.559 4.624 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 1564674810 BUIIZRGRONIDLP-AZUAARDMSA-N 435.406 4.975 30 10 IJEE C#C[C@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(Br)cc1 1564999129 GXBHDCCKVZMBEY-NRFANRHFSA-N 445.332 4.653 30 10 IJEE C=CC1(CC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)CN(C(=O)OC(C)(C)C)C1 1565709712 GWEWAHGNIAQLRX-UHFFFAOYSA-N 432.992 4.934 30 10 IJEE C=CCc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)cc(OC)c1OC 1566400464 KURILDXXYBYCLA-QFIPXVFZSA-N 437.561 4.870 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC(C)(C)C2)ccc1Cl 1567612080 HPGXNYSGUFQVSF-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C#C[C@H](NC(=O)c1cc(F)c(F)cc1Br)c1ccc(Br)cc1 1583565870 NEYJFVZZFJIKTR-HNNXBMFYSA-N 429.058 4.594 30 10 IJEE C#C[C@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccc(Cl)cc1F 1583584918 GZVBIYNMWOSXIK-IBGZPJMESA-N 446.309 4.981 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](C(F)(F)F)c4ccccc43)CC2=O)cc1Cl 1583689115 FDSPHJQMFTYARE-RHSMWYFYSA-N 447.844 4.647 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@H]1CC 1587758505 AWFZEGJMVGQDOD-PWRODBHTSA-N 443.636 4.821 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H](OC)C2CCCCC2)nnc1-c1ccc(Cl)cc1 1588194856 CSVOKUQMEKRBHD-IBGZPJMESA-N 449.020 4.588 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1cccs1 1589116741 MJSWIRKWGOZXHB-UHFFFAOYSA-N 428.652 4.943 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1589668837 DAWBYTRDYSHRIP-GOSISDBHSA-N 425.964 4.787 30 10 IJEE C=C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1594008965 BVTCKEVOSWTXEZ-SFHVURJKSA-N 429.609 4.522 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1594456083 XTELZBMQCMMVBL-IBGZPJMESA-N 438.620 4.952 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1594728177 XRZHWVJJXOYACK-VQTJNVASSA-N 448.514 4.665 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](CCC)C1 1594793715 PKYZSLXWOGRIIU-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CC1(SC)CCOCC1 1595133225 DIQNRZRZLNSBES-UHFFFAOYSA-N 432.609 4.721 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCCC1(C)C 1595133860 NHWWLOJLPDOYSH-SANMLTNESA-N 449.574 4.537 30 10 IJEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)C1 1616614173 DIFPRMNPGAYFKO-QFIPXVFZSA-N 437.588 4.560 30 10 IJEE C#C[C@H]1CC[C@H](NCc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)CC1 1621054196 CSAOWPCMRBMLBR-SAABIXHNSA-N 444.934 4.787 30 10 IJEE C[C@@]1(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN(Cc2ccccc2)C1 1622864477 FTMIUUGKJHLHFJ-RUZDIDTESA-N 427.508 4.532 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC)[C@@H]1CCCc2ccccc21 1624671074 MUJRCAORBKGVDT-OAQYLSRUSA-N 439.943 4.595 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Br)ccc2OCC=C)cc1 1625539102 QQNQQQCUCFPFNK-UHFFFAOYSA-N 445.317 4.965 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nncs2)cc1 1626178169 CFYAFXARDGFTED-CQSZACIVSA-N 440.978 4.664 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC[C@H](c4cccc(Cl)c4)C3)ccc2c1=O 1626703741 PVUTTZIYCVAWLC-MAUKXSAKSA-N 439.968 4.591 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C)c1ccccc1 1627414305 ISEQKCHLBHFJCG-QHCPKHFHSA-N 446.572 4.825 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)CC1CCOCC1 1628980847 PAYXSLHJHRDLJU-QFIPXVFZSA-N 430.589 4.691 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)C(=O)OC 1632085374 VTMPARRRNLXFTD-FQEVSTJZSA-N 431.517 4.749 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 1634628955 MAIRQPGJLMOVRV-IBGZPJMESA-N 438.528 4.522 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCCC1 1636306171 NIZQTFSUSUAVDE-IZZNHLLZSA-N 436.596 4.615 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccc(F)cc1 1636548109 LDJQKIZOHYMKGB-SANMLTNESA-N 443.522 4.611 30 10 IJEE C=CCC[C@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1640587805 ATPMWEBJQJUVFN-QGZVFWFLSA-N 441.369 4.973 30 10 IJEE C=CCOc1c(Br)cc(CNCc2c(C)cc(CO)cc2C)cc1OCC 1658031090 OGTYQRWQDATGRN-UHFFFAOYSA-N 434.374 4.812 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1672217777 GXCDNJMIAOOQBF-GOSISDBHSA-N 425.330 4.944 30 10 IJEE C=CCC1(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)CCCC1 1675398618 DDDOMUWENSRJCX-PXNSSMCTSA-N 437.987 4.677 30 10 IJEE C=CCCC1(CNC(=O)NC2(CCOC)CCN(C(=O)OC(C)(C)C)CC2)CCCC1 1682691770 GNPSAXBMALSKMW-UHFFFAOYSA-N 437.625 4.618 30 10 IJEE C#CCN(C(=O)N[C@H](c1ncccc1C)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1685689582 DACKRTOKSMAWLV-OAQYLSRUSA-N 442.604 4.522 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1689938576 PNOGLUQZIIQFIK-UNMCSNQZSA-N 426.630 4.998 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2OCC(C)C)CC1 1690379156 JNJKGIVGLMVYPC-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C2Cc3ccccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690439716 NJOCWJIJJXVRRE-AREMUKBSSA-N 438.616 4.525 30 10 IJEE C=CCN(c1nnc(CCCc2ccccc2)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1690548845 QAJWXNOCXXJHEW-UHFFFAOYSA-N 436.629 4.806 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC(C)(C)OC[C@@H]1C 1690733433 FALFRVAAKCQVTO-ICSRJNTNSA-N 444.645 4.958 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@](F)(C#N)C2)s1 1693305518 FGBGYHSMFQTRRQ-ODXCJYRJSA-N 448.930 4.748 30 10 IJEE COCCC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1 1697910074 GFVQKNCFKYCUBQ-CYFREDJKSA-N 443.567 4.540 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1705589332 PEHFNNVPVIUWKG-VDKIKQQVSA-N 431.628 4.555 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705664388 NTMPKNITJIUONC-FCHUYYIVSA-N 438.641 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCSC1 1705698046 ZBUDJHJJYBFASC-ALKREAHSSA-N 436.984 4.661 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1705736176 NAEISHGEQQHUDR-NRFANRHFSA-N 425.602 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(C)CCOCC2)CC1 1705765617 UYTCBTXQFCNGIG-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1scnc1C 1705788036 NIAXBEAUNHVWIL-UHFFFAOYSA-N 425.558 4.677 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1705814066 BYAZXPJXEDHUCA-QHCPKHFHSA-N 432.616 4.731 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCSC(C)C 1705860626 UPOXIDUEPZYNBI-OAQYLSRUSA-N 425.602 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCc1sccc1C 1705865200 SKKDUAMRFVLNIX-LJQANCHMSA-N 426.561 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CC1([S@@](C)=O)CC1 1705865873 ZRSDIKFLZBMOIL-GDLZYMKVSA-N 447.029 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC(C)C)cc1 1705866225 KGQITFRQAQUZDP-HXUWFJFHSA-N 438.597 4.872 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1706072314 BOUUAVAOQSSKAB-HMFYCAOWSA-N 434.588 4.864 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(F)(F)CC2)n1 1707718299 HUUYKPHQMHEYHQ-AWEZNQCLSA-N 428.512 4.621 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1nc(C(F)(F)F)cs1 1722283664 GNVJUDNIOHRPMP-LBPRGKRZSA-N 439.894 4.774 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccncc1Cl 1722298778 IRQBFOWBZULUGI-SFHVURJKSA-N 437.975 4.844 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)CC1 1722491573 ATFJXULGFBCDSN-PTLVVNQVSA-N 445.007 4.975 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722503696 XNALWCOWZJINSU-BGJURXJTSA-N 430.637 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1722505060 LZAUIWBFYWMEQR-WIYYLYMNSA-N 426.552 4.548 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(CC)CCCC1 1722527020 VNAXKFFGRCNCOZ-UHFFFAOYSA-N 444.649 4.611 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2CCOc2cccc(C(F)(F)F)n2)CC1 1722562412 YDBCYYWYFZDLEC-UHFFFAOYSA-N 443.473 4.903 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722589044 JQFDXAKYWVMPNR-XXBNENTESA-N 438.616 4.678 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1722596763 NGNQUHRBFJDVAW-XMMPIXPASA-N 444.627 4.544 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(N(CC)CC)CC1 1722614182 FOPDJDMHSGKBOK-UHFFFAOYSA-N 434.588 4.877 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1Cc1ccnc(C(F)(F)F)c1 1722653613 ATIGSTITLKOJHK-UHFFFAOYSA-N 443.473 4.819 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCCCCC2)C1 1722682451 KQNOBSFXDIBFTH-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOC(C)C)CC1 1722682545 RMRKSWAFRLLPIF-UHFFFAOYSA-N 446.020 4.546 30 10 IJEE C=CCn1c(CC(C)C)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1722686407 YHTUTXKLTVGJDJ-UHFFFAOYSA-N 427.902 4.661 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)c2ncc(C)s2)C1 1722716956 AHCJMFFWHDMCLN-UWJYYQICSA-N 437.613 4.857 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCc2cc(F)cc(C)c2C1 1722742240 MWBBQYJGNBOIBH-UHFFFAOYSA-N 428.602 4.860 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1722743067 PBJIDDGCFCLMRN-UHFFFAOYSA-N 439.050 4.762 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC(C)(C)C 1730334793 AKVYTYLVTFYWTQ-JOCHJYFZSA-N 431.581 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1740537589 WTSAMNDHPHUSNA-ZCNNSNEGSA-N 428.024 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@H](C)C1 1740539882 WMFZCWULKOBMNY-DWLFOUALSA-N 431.584 4.626 30 10 IJEE C=C(Br)Cn1c(N2CCS[C@@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1740750357 PKAULXBXEOUKLJ-SFHVURJKSA-N 447.446 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)C1CCCC1 1740755923 MLZJGBKSXIGIPK-JPYJTQIMSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1740770270 MLWHLTWWVZHWDN-UHFFFAOYSA-N 443.592 4.613 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@H]1C 1740789218 IPCBHVZIEMSOCZ-VQTJNVASSA-N 436.556 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740851285 ZPTNZIHNCXEMKS-UHFFFAOYSA-N 442.677 4.700 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@@H]1C 1740858630 WHLPWBKTBUHPQH-GJZGRUSLSA-N 438.439 4.733 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)Oc2ccc(Cl)cc2)C1 1740974364 FFAWKOOHUIWKSM-YLJYHZDGSA-N 442.947 4.749 30 10 IJEE CCOC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC#N)CC1 1746600994 HWFXTYMEEKKBLY-UHFFFAOYSA-N 432.572 4.747 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1C[C@H](C)O[C@@H](C)C1 1748935206 PFWNEFHIKKNIGN-SFTDATJTSA-N 438.616 4.952 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1749056326 DTRPEZUFZMLPQG-UMTXDNHDSA-N 449.643 4.704 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)cc1 1749119532 UAHBNVUCOCULPU-IEBWSBKVSA-N 433.394 4.782 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(F)(F)F 1749124329 MIVVGTLKMNGDIW-BLLLJJGKSA-N 432.849 4.717 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1749242366 HBRBHVMDCSXKPM-UHFFFAOYSA-N 447.974 4.694 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1749412645 ORLKTQPQBCLBOU-MRXNPFEDSA-N 440.523 4.599 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1oc(CC)nc1C)C1CC1 1749511058 RDWSTGSJMJENRD-UHFFFAOYSA-N 429.471 4.608 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1749591579 VSXBQCFEQMNHCW-PMVMPFDFSA-N 442.604 4.799 30 10 IJEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1749634655 FRHJWGJQLPXVEK-UHFFFAOYSA-N 437.613 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)CN1CCCC1 1760098880 ASSBCVPJNVKBFY-RTWAWAEBSA-N 444.627 4.542 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(-c2ccsc2)nc1 1760174821 OZYCILCHLQFPKM-UHFFFAOYSA-N 433.968 4.764 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCCSC1 1760243289 DZKAPQRIVLBJCK-OAQYLSRUSA-N 426.605 4.933 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccsc1 1760353683 AZKRXHOWIRQVKU-GOSISDBHSA-N 429.977 4.989 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)c1ccccc1 1760417614 GDXNWATYTMISTL-FCEUIQTBSA-N 435.616 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760457002 CJBUYNRUDCWKAF-CQSZACIVSA-N 445.539 4.798 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCCCCC2)nc1 1760497239 WZBVMUWJQSCMAP-UHFFFAOYSA-N 448.640 4.933 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](NC(=O)CCC)C1 1760506456 TVCIYGGBHBFRDL-HNNXBMFYSA-N 444.004 4.884 30 10 IJEE Cc1cc(C)n(-c2ccccc2Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)n1 1762403847 FXKLLTYTEICEPC-SANMLTNESA-N 445.615 4.848 30 10 IJEE CSc1cc(C)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C#N 1770480096 CNOQGZCSHPNOIO-YFVAEKQCSA-N 441.645 4.871 30 10 IJEE C=CCN(CC=C)c1nc(-c2cc[nH]c(=NCCc3ccc(O)cc3)c2)cc2cnccc12 1857843761 GTVZIODCHNUESZ-UHFFFAOYSA-N 437.547 4.652 30 10 IJEE CC(C)OCCCNC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858944988 YDIIHCCSMQPSFR-UHFFFAOYSA-N 431.492 4.867 30 10 IJEE CCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4cccc(C#N)c4)CC3)n2)cc1 1860633631 YIJDQHJBBDVWNX-UHFFFAOYSA-N 444.560 4.735 30 10 IJEE CCOc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)c1 1860657488 KOCVKWDGRHTTFW-QGZVFWFLSA-N 439.581 4.807 30 10 IJEE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(=O)Nc1ccccc1C#N 1860746876 IOKRXQNGDFWESG-UHFFFAOYSA-N 447.516 4.603 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1C(C)C 1862204611 HTJDUAGMTGNBCG-URXFXBBRSA-N 434.580 4.505 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862481127 XGSKWBBJZLGUHU-XMMPIXPASA-N 428.532 4.678 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1c(F)cccc1Cl 1862506032 VNAGKJQZBBFJQI-IBGZPJMESA-N 435.854 4.541 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccc(F)cc2)c1 1862555457 FCUBOIXRGSPPSC-PHDLEGTPSA-N 446.522 4.955 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862563771 KZGCFSKRQJOMHX-QFIPXVFZSA-N 448.544 4.898 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1cccc(O)c1 1862589043 CKYIISFCOAABLE-QFIPXVFZSA-N 449.890 4.572 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc(F)c2)cc1 1862686923 CSGZYHHKHAKESQ-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Cl)c2)cc1 1862689368 PAUZVNARXHFXFG-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1Br 1862693632 PRVVEQGSYJSDRH-ORAYPTAESA-N 444.325 4.835 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2C)c1 1862698753 NGOWGZZHTRMWIE-XMMPIXPASA-N 427.500 4.825 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1C 1863254178 PLMCRZSVVAGHGR-UHFFFAOYSA-N 439.490 4.749 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)cc3)C2=O)cc1 1863277094 OWQAQXSFPBKMHE-SFHVURJKSA-N 437.499 4.829 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2OCCC)=C(c2cccs2)C1=O 1863484541 OMNDPIWQAYYGFK-UHFFFAOYSA-N 447.354 4.677 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1863485539 GHRBBYANNWRXNB-UHFFFAOYSA-N 438.512 4.536 30 10 IJEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCCCN(C)C)C1=O 1863818404 ZOOICFDRMBYMTQ-UHFFFAOYSA-N 438.616 4.540 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 1865773369 QGEYMMGKADTTOM-HNNXBMFYSA-N 442.581 4.580 30 10 IJEE CC(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1cccc(C#N)c1)c1ccc(Br)cc1 1866977303 ONDXAJBAJQPFRT-IBGZPJMESA-N 442.357 4.594 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccc(F)c2)n(-c2ccc(Cl)cc2)n1 1870002851 WZLBAUDTHQJNPR-MDWZMJQESA-N 437.906 4.890 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)c1 1871425989 SEFPMQFGSMZUQS-SRMCNWIXSA-N 449.459 4.627 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871776022 JXKAZSAYVHZDFD-WMZHIEFXSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)S(=O)(=O)CCC 1871824795 GRKSMDHWXHLPDG-LJQANCHMSA-N 440.487 4.613 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872382154 XMFOWLNHJAQUSX-HRAATJIYSA-N 436.524 4.585 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NS(=O)(=O)c1cc(Cl)ccc1OC 1872604767 CLKFWMOVUKICIQ-GOSISDBHSA-N 447.041 4.662 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(NCCC(C)C)ncnc21 1873611297 SMDKEYLAPJGQDT-UHFFFAOYSA-N 436.516 4.798 30 10 IJEE Cc1ccc(C)c(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccc[nH]2)c1 1874297114 LGUWWPHADYKALT-AFUMVMLFSA-N 446.536 4.897 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(F)c1 1874343714 DJJUWHATPDZNKH-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1sccc1C 1874424078 SVGLJFLDMXEYOX-FYJGNVAPSA-N 447.655 4.999 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)cc1OC 1874448000 QKHDDUGGBVRLQN-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE COc1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@H]1CCCO1 1874450394 ANBMFEFTBNYQFA-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCC(=O)N[C@H](C)c1ccccc1 1874492248 FVSDGHVBMVJNGP-KWXFCVSUSA-N 435.597 4.637 30 10 IJEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OCCCO 1874628924 CPOIXZYUDZTBHQ-CMDGGOBGSA-N 427.497 4.884 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2ccccc12 1874651303 QKAWNBQUYAGOBW-SANMLTNESA-N 437.543 4.863 30 10 IJEE Cc1cc(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c(Br)s1 1879738365 UDVHRNMEWXSMNN-KPZWWZAWSA-N 426.185 4.517 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC(c3ccc4cc(Br)cnc4n3)CC2)cc1 1890551997 JPQVHLDIHDDQOQ-UHFFFAOYSA-N 436.313 4.675 30 10 IJEE CC#CCCNc1cc(Br)c(I)c(Br)c1 1931651786 ZUHIEGVSOHYQIA-UHFFFAOYSA-N 442.920 4.642 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1 1941497506 RXXFQWWHKBMHBJ-WAIKUNEKSA-N 431.533 4.728 30 10 IJEE N#Cc1ccccc1C1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 1952522965 GPSRBUOONFRRHK-UHFFFAOYSA-N 438.483 4.798 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)cccc1Br 1986044223 PHQZQYLMIMEXLG-UKRRQHHQSA-N 448.199 4.942 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1(C)C 2014810533 XPXCJBWLFBTAKS-NRFANRHFSA-N 436.557 4.996 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(CCCB3OC(C)(C)C(C)(C)O3)C2)C1 2073336733 TVOSTJZICLEMLW-VQTJNVASSA-N 436.446 4.828 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1cc(Br)c(C#N)cc1F 2106012597 YKCBPURSYGQBLU-BLLLJJGKSA-N 426.330 4.907 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1Br 2124499588 NKPOMGGBLUNZLG-GFCCVEGCSA-N 437.256 4.876 30 10 IJEE C#CC[C@](C)(CNC(=O)OC(C)(C)C)COc1ncc(Br)c2ccsc12 2140644606 WSYVXENAQHNBDE-LJQANCHMSA-N 439.375 4.992 30 10 IJEE C=CCC1(NC(=O)c2ccc(C)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2174759022 BLMJTFHYYLBBCD-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE CC[C@]1(C(=O)Nc2ccc(C#N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2181111424 SSKQFDZQHKPHTR-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1CCC 2224264032 YBJKPSRJNWAHRS-RHSMWYFYSA-N 429.403 4.566 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)cc1 2232273775 PDLXWEWPLXEXPR-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 2232327170 BKVPUZMZFAKKRL-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](CC)CN1C(=O)OC(C)(C)C 2235727197 JYSFKOMGTRURMF-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)C=CCCN1C(=O)OC(C)(C)C 2239435374 DYPTXEUPSLUIPF-SIKLNZKXSA-N 433.390 4.734 30 10 IJEE C#CC1(CNC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 2243926907 OSTLDAQFGBYFCR-RUZDIDTESA-N 444.575 4.860 30 10 IJEE CC1(C)OB(c2sccc2C(=O)N(Cc2ccccc2)Cc2cccs2)OC1(C)C 2247902215 UQTABRAHXCGMRS-UHFFFAOYSA-N 439.411 4.951 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255608127 HVPDJCNZKOTSIK-HDJSIYSDSA-N 434.317 4.984 30 10 IJEE C#CC[C@@H](C[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C1CC1 2256708260 ZIHTYDMVPITRNG-ZEQRLZLVSA-N 440.628 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2261827443 GXAYGZNXODFONO-JTHBVZDNSA-N 449.588 4.806 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2268713581 YTXXYWFXXHHKTJ-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE C=CCCC1([C@H](Cc2cccc(F)c2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281055168 FCYHZMBWUSSSKL-KRWDZBQOSA-N 441.385 4.922 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](C#Cc2cccc(Br)c2)NCC)C1 2296222445 RTDWVBFUYMVXQM-LJQANCHMSA-N 433.390 4.640 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2296226126 BZKIQHBGDNEWMA-OALUTQOASA-N 433.390 4.711 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 2296298867 ONZVFBYPAOEFNY-AQNXPRMDSA-N 433.390 4.567 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCCC[C@@H]1NC(=O)OC(C)(C)C 2296300275 GCQXXWIXVDUGTO-DXIQSLLYSA-N 435.406 4.862 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2OC)C4=O)cc1 2321946958 ANGIEZJQBPJPNG-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cc(OC)c(OC)cc2OC)C3=O)C1 2322371104 WXKVIHNDZXTGKE-CQSZACIVSA-N 439.508 4.587 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1OCC(=O)OCC(C)C 2322427624 IUDDWAYPOIAUBW-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2322698772 RXLKSHHVLGXOBB-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)cc1OC 2323190061 FWHMAMNJIQTUGR-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OC 2324010382 SABSOHKEORZKED-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1cccc(Cl)c1 2325552463 UAYXVLNKUOPFLO-UHFFFAOYSA-N 432.933 4.828 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Br)ccc1O 2325580632 RHUQTZCGOSMTFP-UHFFFAOYSA-N 435.322 4.622 30 10 IJEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC1(F)F 2327274301 JIATWAROKGQKGJ-RPBOFIJWSA-N 440.582 4.536 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccccc1C(=O)O 2328556630 MQISTDYGXNOHMH-UHFFFAOYSA-N 436.537 4.723 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329283016 DUAAMHGORJGFSB-UHFFFAOYSA-N 445.932 4.823 30 10 IJEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329352668 VNTOGRPCCKLLCK-UHFFFAOYSA-N 446.960 4.747 30 10 IJEE Oc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1F 2329918908 HWUIPLDHHKEWRO-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2cccnc2)c1 2330242720 RKLWTAINKSWJLQ-UHFFFAOYSA-N 448.596 4.717 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(OCCC)cc1 2330881246 CFOBWVKPMHDOQK-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2[C@H]2CCCO2)c1 2330911464 PZWTUQFUMTWOJY-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@@H]1CCCO1 2330994481 GMONEETXAGUXDD-SFHVURJKSA-N 443.916 4.866 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CCCC2)cc1 2331092847 MKKVSTDGQNDQIM-UHFFFAOYSA-N 444.601 4.898 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(O)cc2)cc1C 2331363999 DJXLTBDKJLIQIF-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)c1 2331377517 GQBGSTAHFZDMJZ-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CC(C)(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccc(F)c1 2331403892 QBIPEPUWIJCOHE-UHFFFAOYSA-N 436.516 4.538 30 10 IJEE CCc1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)C)cc1 2331706401 LZZNZUPPONDVEF-UHFFFAOYSA-N 432.553 4.787 30 10 IJEE CC#CCN(C[C@@H](NCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 2337910040 MHPQHIHYHFOTOM-QGZVFWFLSA-N 427.358 4.808 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360195848 FCGUOKXNASUNDH-LWYYNNOASA-N 433.390 4.567 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(F)cc1Br)NCCC)C(=O)OC(C)(C)C 2363131737 ULRPTNJQNIXPEF-SFHVURJKSA-N 441.385 4.759 30 10 IJEE CN(C[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC12CC2)C(=O)OC(C)(C)C 2366035300 UOANAAGVSFMFNK-AWEZNQCLSA-N 438.341 4.543 30 10 IJEE CC1(C)OB(c2ccc(CSc3nccn3C3CC3)cc2Br)OC1(C)C 2377293091 DYXZEKMTULANQN-UHFFFAOYSA-N 435.196 4.572 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)c3cc4cccc(OCC)c4o3)c2C#N)C1 8960867 DIKUQOSOFLXUJH-UHFFFAOYSA-N 439.493 4.532 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1cc(C#N)ccc1F 13106442 SSNBIHUZZDENJJ-IBGZPJMESA-N 437.298 4.892 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1cccc(C(F)(F)F)c1 34761564 FJJFSSOLQBYYNW-LAJDHHRJSA-N 439.434 4.825 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c1 34955439 KQCLBSMURPFHCB-UVTDQMKNSA-N 448.471 4.836 30 10 IJEE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823807 HIVHXWXDAVYRQY-QUPMIFSKSA-N 446.526 4.842 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 63297630 ZMVVDFDQAUQPPX-UHFFFAOYSA-N 432.505 4.748 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C\c2cccc(OC)c2OC)C1=O 103252975 FPNXBGANGRWCDQ-BOPFTXTBSA-N 445.924 4.901 30 10 IJEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCc2ccco2)C(=O)N1c1ccc(Cl)cc1 105611399 IXMSGCBZFOLMJN-LJQANCHMSA-N 439.924 4.776 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC(C)C)c1 169939179 QEGNYZSNOJOEAG-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2OC)cc1 169941841 NPBCJXRSRFQVOH-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(C)cc1 169944690 MXCPLEXGDXHBCV-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2cccc(C)c2)cc1 169969107 HISSYLMDDHVJFV-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccs1)c1c[nH]c2ccccc12 169989734 DKWPDUKMKRZUEI-FQEVSTJZSA-N 440.484 4.889 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1ccccn1 169994275 WWNGYNWCPQFSRS-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2cccnc2)cc1 170006736 MZFFVTWPIPBXEY-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2)ccc1F 170064980 CUWDDPIHLXCDDT-OAQYLSRUSA-N 429.463 4.667 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170076062 SGFPWRDDBZWTJW-QMHKHESXSA-N 442.471 4.671 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1CCCOC(C)C 170107836 WTEJLSIWJWICDP-NRFANRHFSA-N 427.566 4.769 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170114942 HERNWSBLVFJLAV-LJQANCHMSA-N 426.538 4.680 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(OC)cc1 170116847 FPCNIXFXSSZLRY-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccn2)cc1 170176636 KUHNPEQYPANCKF-NRFANRHFSA-N 436.414 4.541 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccncc1 170200455 HIASGSCEWQJZST-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccncc1)c1c[nH]c2ccccc12 170206908 SOEKWICZAWEAFU-NRFANRHFSA-N 431.398 4.624 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(F)cc2)cc1 170239979 KRSDTZZKWYBTNO-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccccc2C)cc1 170270245 DBDYPKPFOOQEEJ-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2C)ccc1F 170278102 ZLQWKIBGRVGKAF-QFIPXVFZSA-N 425.500 4.836 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccco2)cc1 170280903 NNTSQZLYSONOOT-HSZRJFAPSA-N 445.471 4.957 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1 170291241 UZJKEOKPCPTRHP-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccco2)cc1C(C)C 170291414 KJWITKGGPBUNSG-JTSKRJEESA-N 439.508 4.559 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)cc1C(C)C 170292814 HGQGAVKTCZGZPS-HSZRJFAPSA-N 446.503 4.975 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(C)o2)c(OC)c1 170298955 PRSVLRKAZGMQLG-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE N#C[C@@H](C(=O)c1cc(Br)ccc1I)c1ccccc1F 236163427 GPAHTWBZBUQMIK-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 252606842 GWEUAOVDDMRLAS-QGZVFWFLSA-N 435.471 4.994 30 10 IJEE COc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CS 382697627 LTNSEDAWQKQIOK-MAUKXSAKSA-N 436.371 4.740 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCCC 406288230 USHZTHXLQKNXOB-ROUUACIJSA-N 443.813 4.930 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2cc(C)cc(OC)c2C)cc1 427889214 ZQTFQLPZLKNJQC-UHFFFAOYSA-N 445.475 4.562 30 10 IJEE C=CCN(C(=O)c1c(Br)sc(C)c1C)c1nc(C(=O)OCC)cs1 440692770 MVIDGWGZBJPPGH-UHFFFAOYSA-N 429.361 4.593 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 475546631 HGHUKYOWRIDUDF-UHFFFAOYSA-N 427.495 4.807 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)N1CCC[C@@H](C)C1)C(C)C 489679603 BGYSIULEYUBMLB-KNQAVFIVSA-N 442.629 4.727 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)cc1OCC 526489864 JUHMHZNERYMWLZ-XMMPIXPASA-N 441.487 4.808 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccccc2)CC1 549128728 KWTHSBKDNCJMSV-UHFFFAOYSA-N 440.320 4.635 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 555272665 MAFNPBBSUSYAJW-GBESFXJTSA-N 430.980 4.901 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1c1ccco1 572890075 MZJLWJBLFZKBOR-KRWDZBQOSA-N 429.318 4.837 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](C)c2ccc(OCc3cccc(C)c3)cc2)cc1C#N 609045487 QIHWLHAOVMMHLJ-INIZCTEOSA-N 433.533 4.759 30 10 IJEE COc1cc(Cn2cnc3c(oc4ccccc43)c2=O)ccc1OCc1cccc(C#N)c1 609721994 PCKRPQLRMWMWFQ-UHFFFAOYSA-N 437.455 4.650 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1cc(Br)c2c(c1)OCO2 698963224 WZHHDPXJLQKVKJ-CYBMUJFWSA-N 438.282 4.680 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C)c3)N([C@@H]3C[C@H]3C)C2=O)cc1 727682830 YFKDKVRHHNRQRX-LPTQZCDUSA-N 435.549 4.566 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)O[C@@H](C)C2 730686137 DLRAKMYPYZCPIT-QXRTWZOPSA-N 438.911 4.513 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1cnc(C2CCC2)s1 760340458 VCKYYIKWGLXPKM-KRWDZBQOSA-N 448.411 4.692 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CCCN3c3ncnc4ccccc34)n2)cc1 783077428 QRPAORDJYPCGIC-KNQAVFIVSA-N 439.544 4.907 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C(=O)OCC)cc2)[n+]2ccc(C)cc2)c1 783960690 SRFYULIQXBCMRB-UHFFFAOYSA-O 443.548 4.764 30 10 IJEE C[C@H](OC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787552171 WTQUAZAPKNQWHM-HYTQYMIGSA-N 426.875 4.514 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cc(C)ccc1OCc1ccccc1)c1ccc(Cl)cc1 810469377 BFSYHURKJRSPKK-NRFANRHFSA-N 432.907 4.657 30 10 IJEE C=C(C)COCCNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 1127125566 AMUZYMRJMWSUSG-UHFFFAOYSA-N 425.710 4.612 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 1128151535 BNIBVYJKRRQPGX-HNNXBMFYSA-N 436.965 4.691 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 1128811499 ZAAIGSYDRZZRLO-HSZRJFAPSA-N 436.600 4.764 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 1134728335 KFFPEWCCCLOSDY-LBPRGKRZSA-N 434.115 4.625 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 1137426040 VALKEFBINWEIRZ-ZEQRLZLVSA-N 448.563 4.628 30 10 IJEE C#CCN(C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1142870880 RNVOGDXLTLKPMQ-LJQANCHMSA-N 430.548 4.708 30 10 IJEE Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)N(C2CC2)[C@@H](C)C#N)c1 1146375230 BPWRBILNHUFEGG-KRWDZBQOSA-N 439.581 4.610 30 10 IJEE C=CCC1(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)CCC1 1160322660 MZQPGTPDWQJKIG-UHFFFAOYSA-N 440.584 4.924 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(Br)ccc1OC 1167839777 GLLAQKATJRITQN-CQSZACIVSA-N 428.323 4.613 30 10 IJEE C=CCn1c(SC[C@@H]2CN(c3ccccc3)CCO2)nnc1-c1ccc(Cl)cc1 1188114417 GZYZQJVRMQLBJW-FQEVSTJZSA-N 426.973 4.782 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nnc1-c1ccco1 1188531245 SSVWHEGFSBKFQW-MRXNPFEDSA-N 435.336 4.929 30 10 IJEE CC1CCN(C(=O)OC[C@H]2CCCCN2Cc2cc(C#N)ccc2Br)CC1 1194152423 AOICDPQXHGIHSI-LJQANCHMSA-N 434.378 4.544 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)c1ccccc1 1197505940 WEUBUKCTVAAUGG-OAQYLSRUSA-N 429.586 4.855 30 10 IJEE C=CCC[C@@H](CO)NC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1198640385 VCMWDYQCHWXHAM-JTQLQIEISA-N 433.386 4.586 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)c1 1200402712 MGFNMTFWLCOZEE-VWLOTQADSA-N 433.596 4.896 30 10 IJEE C=CCN(C(=O)c1ccn2c(C)cc(C)nc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1264216520 HWPUVLUZNYPYNL-UHFFFAOYSA-N 433.493 4.816 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COc1ccc(Cl)cc1Cl 1264280718 CZZMQLFIKYFZEN-UHFFFAOYSA-N 425.264 4.502 30 10 IJEE Cc1c(C#N)c(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)n(-c2ccccc2)c1C 1264507339 AVBRCBBEUAQMTJ-UHFFFAOYSA-N 426.520 4.844 30 10 IJEE C[C@H](NC(=O)CCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccccc1 1264722680 CEVJHKHMYNAOJT-FQEVSTJZSA-N 441.531 4.928 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)c1 1264918887 ANAHIAWMPURODI-HXUWFJFHSA-N 444.556 4.714 30 10 IJEE COc1ccc(-c2nnc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)s2)cc1 1266787747 CHSAZLYYJPLMEE-UHFFFAOYSA-N 442.500 4.917 30 10 IJEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cc4ccccc4cc3C#N)c2)C1 1275725101 BOOHLNDQHLFXNW-QZTJIDSGSA-N 447.560 4.630 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(N(CC)CC)CC1 1286315931 HJXAJAYKTQJXBL-UHFFFAOYSA-N 444.627 4.916 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N1CCC[C@H](C)C1 1286440499 AYYZBIRYJNTXFX-DLBZAZTESA-N 434.415 4.832 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1CC 1286450868 LTXUBXDIEHUEHN-ZWKOTPCHSA-N 445.405 4.905 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1286567578 RKWQXQHDDOYKIC-IZIIKQMZSA-N 449.599 4.582 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CC(C)C)C1 1286605113 RRCOSTWGKCPSKA-MRXNPFEDSA-N 436.398 4.501 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1C)c1ccccc1 1286617171 JPBYZTVLOFGNGT-INIZCTEOSA-N 426.362 4.748 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)c2cccs2)CC1 1286632554 MONFFTOVDNGFFX-UHFFFAOYSA-N 448.017 4.547 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1286643345 GGUNMKZPKLGZJD-PMACEKPBSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1286665251 XJRDTHVBVNIXMP-UHFFFAOYSA-N 449.521 4.798 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccn(CC)c1=O 1286752626 BRBFABNXYBKDBQ-SFHVURJKSA-N 449.624 4.540 30 10 IJEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2ncc(C)s2)C1 1293497677 CBZLXAWGZIXAQI-WMZOPIPTSA-N 436.585 4.534 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 1294377827 JGMNLWQZWFDRHO-AWEZNQCLSA-N 434.430 4.955 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCC1(F)F 1298285354 GICRBJXMNIPQSX-NRFANRHFSA-N 436.510 4.597 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H]1OC 1300595788 QPSGHFRWPYWDHJ-NQIIRXRSSA-N 443.016 4.502 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1300742994 YKJVWFFIUYZLJY-UXHICEINSA-N 445.032 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1300889158 PCBDBPZJIALJSG-PKICCIJUSA-N 447.048 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)CN1CCCCC1 1300901966 WXBKCIYCYHWMTH-OAQYLSRUSA-N 447.631 4.860 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CC)(CC)C1 1300946086 GFCINESIUYLNMM-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CCC1 1300974938 QDMPPIKUWOYHFN-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301175852 KVSKETOXAMFXIR-FQEVSTJZSA-N 442.007 4.697 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301176551 DDCBQKGNAOCYTE-FGZHOGPDSA-N 435.616 4.846 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H](O)C1 1301341967 QLEKNNOACQEICR-RPWUZVMVSA-N 433.600 4.626 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCC1 1301351241 NNWTZYZDJPENPU-QFIPXVFZSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)Oc1ccccc1 1301363751 ZRMSDEKOZSKBNM-UXHICEINSA-N 438.597 4.894 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1cc(C)oc1C 1301399428 MUBVZSUIXGDAJG-AREMUKBSSA-N 434.584 4.898 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2CCC[C@H]21 1301601101 AJGLNHOVIZUXMT-RBUKOAKNSA-N 428.602 4.649 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N(C)Cc1csc(Br)c1 1301617899 LMILCHCAHUJPSZ-UHFFFAOYSA-N 427.437 4.610 30 10 IJEE COc1ccc(C(NCC(=O)Nc2sc(C)c(C)c2C#N)c2ccc(OC)cc2)cc1 1307987276 HTDORCVSHBLYKQ-UHFFFAOYSA-N 435.549 4.572 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@@H](CC)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1F 1312942183 JUFGFQGTQFRWHU-YADHBBJMSA-N 431.914 4.771 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(C)(F)F)cc1 1314197452 FYPPWPJFXHCQMM-HTAPYJJXSA-N 447.530 4.992 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H](C)CC#N 1315690629 GYMIBWBULFGFBI-JAXLGGSGSA-N 439.604 4.842 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1)c1nc(-c2ccccc2)cs1 1348497101 LSBJGAOQMPKKNG-HXUWFJFHSA-N 431.561 4.945 30 10 IJEE C=CC(C)(C)CC(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(C)cc1 1349975791 QGOISKZJCXKXAV-WMZHIEFXSA-N 429.582 4.891 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(N3CCN(CCC)CC3)c(Cl)c2)cc1 1356207789 KPPDKNYEXUQBTA-UHFFFAOYSA-N 427.976 4.618 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(OCC(F)(F)F)c3)cc2)nc1 1356209169 BPJHKIUMBPVJCP-UHFFFAOYSA-N 427.382 4.868 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1358930319 SICAOZWLVMIPQE-SFHVURJKSA-N 425.646 4.999 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@@H]1C 1359000088 LKJVSSHRPSJORW-VQTJNVASSA-N 444.023 4.632 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCOC1CCCCCC1 1359021626 VKTNNIMBYWKWGC-UHFFFAOYSA-N 448.970 4.563 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(CC)CCC 1359063872 GMGKBRJCFQFLQH-BKMJKUGQSA-N 437.632 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H](CCC)OC 1359064987 FIJOPZOOUVLPQC-WIYYLYMNSA-N 431.378 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCCCC1 1359108308 IPKAQDGTAVOAJQ-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2sccc2c1 1359282738 NVAZPUICNPCBKS-UHFFFAOYSA-N 439.610 4.536 30 10 IJEE C=CCC[C@H](C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccccc1 1435191045 JSZOXAIGJPHTNK-QFIPXVFZSA-N 445.529 4.823 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1435949774 ADSMZMRNGBQHAK-DYESRHJHSA-N 426.479 4.795 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)c1ccccc1 1463356998 NAUHBJCHVSGBJF-KRWDZBQOSA-N 447.379 4.616 30 10 IJEE C=C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 1464165418 RDFZWOQDBUMYQI-IBGZPJMESA-N 428.460 4.674 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1C#N 1466261448 BQFSGKIGXDWVSW-UHFFFAOYSA-N 449.536 4.660 30 10 IJEE N#C[C@@H]1CCCN(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 1468336338 CRGUNRUROSTNHR-SFHVURJKSA-N 433.943 4.680 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1468720761 OICZZMGSIXCNNR-LEWJYISDSA-N 426.944 4.657 30 10 IJEE C#CCONC(=O)/C(C)=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1470042503 OXLGHPAHKHZJDH-FXBPSFAMSA-N 427.500 4.929 30 10 IJEE CCOC(=O)c1c(NC(=O)NC2(c3c(Cl)cccc3Cl)CC2)c(C#N)cn1CC 1476760503 HVTSVOXJNUWEFE-UHFFFAOYSA-N 435.311 4.674 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCCN(c4cccc(F)c4)C3)c2)s1 1477868307 IATLXZRWSSCDDC-FQEVSTJZSA-N 434.540 4.894 30 10 IJEE CCc1nc(C)c(Cn2c(CC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)o1 1498283151 CJSUBGFYALSXOH-UHFFFAOYSA-N 430.556 4.549 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1507757643 WKJFSZWLVKHOPP-XLIONFOSSA-N 431.005 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(N(C)C)nc1 1507823592 LYCLMTNLSUNYCD-UHFFFAOYSA-N 436.629 4.791 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1507845452 GMXIUYWOUFJLDY-INIZCTEOSA-N 439.025 4.752 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC2(CCCC2)C1 1507849082 UTYNGJAAAJFQKW-UHFFFAOYSA-N 442.629 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccccc1F 1507914985 RPXJBJGBXDAQDB-UHFFFAOYSA-N 439.535 4.774 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCc2oncc2C1 1507926761 JCYLXSNBGCAALH-UHFFFAOYSA-N 428.334 4.615 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1507938904 DSDSDMSHRQMVBT-YADHBBJMSA-N 434.588 4.941 30 10 IJEE C=CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cc(Br)c[nH]1 1507952809 CEXIDPNAFYMYSX-AWEZNQCLSA-N 438.280 4.522 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1507962702 WDNPWFPYNZVVNL-QGZVFWFLSA-N 427.499 4.717 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccsc1 1508412721 DQZJPVXGFWPAPK-LBPRGKRZSA-N 434.338 4.552 30 10 IJEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1)N(C)C 1509105733 CSWNNDMWFSHGFN-OEMFJLHTSA-N 434.632 4.810 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1cccs1)N(C)C 1509947392 AAMJWSLUGUDDDA-WMZOPIPTSA-N 434.569 4.794 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1514717308 FQMVOODZZZLTKQ-UHFFFAOYSA-N 435.601 4.640 30 10 IJEE C#CC[C@]1(C(=O)N(CC)Cc2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1524828455 WQCSNEVMPORELT-JOCHJYFZSA-N 449.389 4.591 30 10 IJEE C#C[C@@H](NC(=O)CSc1nc(C)nc2sc(C)c(C)c12)c1ccc(Cl)cc1F 1525069746 HHDLCYBLZDANDX-MRXNPFEDSA-N 433.961 4.992 30 10 IJEE CN(C(=O)CSc1ccccc1C(=O)Nc1cc(C#N)ccc1F)C1CCCCC1 1528040091 AWOIAOISHYPZAJ-UHFFFAOYSA-N 425.529 4.833 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)cc2C1=O 1532874900 RXKBADDULGRJBW-UHFFFAOYSA-N 439.496 4.744 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)cc1 1534501421 RCZVHUZQTRZMLU-UHFFFAOYSA-N 428.517 4.769 30 10 IJEE CCc1cc(C#N)c(NC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)s1 1534646055 DTDZRDOKCMFXBW-UHFFFAOYSA-N 430.530 4.537 30 10 IJEE CC(C)(C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)S(=O)(=O)C1CC1 1536521512 DCYNSDXTDVXLQP-UHFFFAOYSA-N 434.970 4.657 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1537697697 SUQLYVJTSOJJQF-CTNGQTDRSA-N 448.579 4.974 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)CCCC1(C)C 1538658333 YBNJZULSUHKIIW-CVDCTZTESA-N 440.609 4.933 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCSC1 1538986880 OXSHGHRBODXQHN-MOPGFXCFSA-N 436.581 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1csc(CCc2ccccc2)n1 1538986961 PKJWPIREZSZEPH-KRWDZBQOSA-N 431.565 4.594 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCSC(CC)(CC)C1 1539082562 WIEAXLOAVPSJIX-UHFFFAOYSA-N 430.593 4.912 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C=C)CC1 1539097837 XPNDLOIXLHXVRC-UHFFFAOYSA-N 429.362 4.532 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)Oc1ccccc1 1539245285 DANOYWDOKVQAQR-UXHICEINSA-N 444.604 4.672 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(OC)c1 1539305059 NROSXHLPMPVNHT-LJQANCHMSA-N 444.604 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@@H]1C 1539305779 ORHNRSIMFSAUCY-JKSUJKDBSA-N 431.403 4.668 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCO[C@@H]1CCCC[C@@H]1C 1539361673 AOQPJKVXLDXGTK-SIKLNZKXSA-N 433.556 4.655 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCSc1nccs1 1539372309 UNJCKULZOOBEEM-UHFFFAOYSA-N 432.018 4.621 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@]1(C)CCCS1 1539392788 XCXCSVRHIAWMDY-HSZRJFAPSA-N 440.613 4.995 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1Cc2ccoc2CC(C)(C)C1 1539593102 SNQISVLJJXEFEC-UHFFFAOYSA-N 442.361 4.739 30 10 IJEE C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1539662857 BQCJLCBZDXXCCQ-QMHKHESXSA-N 436.895 4.986 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 1539939575 IRWRWKDFERGXKT-DDRJZQQSSA-N 446.599 4.517 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1539963652 ZYGMMBOKAHMMKH-IBGZPJMESA-N 431.378 4.852 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1539966594 LLCZPXFMNBJXOI-HXUWFJFHSA-N 442.583 4.763 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1540009665 GLDBALUFFQRXTM-UHFFFAOYSA-N 440.590 4.994 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC=C(Br)C1 1540033217 BATNEIFMUGJWSK-UHFFFAOYSA-N 442.361 4.508 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CC)CCOCC1 1540054904 XFNKMBCHDLPVNG-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC1CCN(CC)CC1)C1CC1 1540112319 VRHWCJSPJZNRIG-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1540129253 UAIOKVURVVXHCW-QHCPKHFHSA-N 443.599 4.623 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)OCCO2 1540186523 CLKPGZJCKCXYQO-UHFFFAOYSA-N 436.556 4.514 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1540856678 XQWUYPBWHMMJCZ-UHFFFAOYSA-N 439.604 4.913 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1540913583 XQVQTBRBHLQWKR-UHFFFAOYSA-N 437.613 4.595 30 10 IJEE CCSc1cc(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)[C@H](C)CC#N)ccn1 1552473721 CBKVYBFPWIUCTP-QGZVFWFLSA-N 443.580 4.787 30 10 IJEE CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(Br)cc2C#N)CC1 1559538955 IBJKLNZIRMPEJW-NRFANRHFSA-N 434.328 4.868 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1 1563273498 GVKUQUBRKSJNLM-UHFFFAOYSA-N 445.479 4.529 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 1564063227 OAWHHUCHRVPYSB-IBGZPJMESA-N 448.350 4.871 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1564705412 ARIROYKCXYWJDV-PZJWPPBQSA-N 443.563 4.506 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)ccc2c1=O 1565670694 AYRWVSHABODGGI-FQEVSTJZSA-N 439.968 4.796 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 1567992495 YHUQUAJGUQXVKZ-FCHUYYIVSA-N 443.632 4.653 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 1583506543 STHWPGLSDPMBSQ-CXAGYDPISA-N 429.314 4.861 30 10 IJEE C=CCOc1ccc(CN(C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)C(C)(C)C)cc1 1585443363 OMVQCFXVPCBCHX-UHFFFAOYSA-N 432.568 4.819 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CCOC)CCC1 1587579836 KPQFXIOJLCFYLT-QZTJIDSGSA-N 426.630 4.796 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CCOC)CCC1 1587579838 KPQFXIOJLCFYLT-ZWKOTPCHSA-N 426.630 4.796 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)cc1 1587964321 HSGNGJABFVYVPC-UHFFFAOYSA-N 430.295 4.739 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(C)CCC1 1588581460 SCPRKZBTLPNAJP-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1588984658 INYHTUMULSWGCL-SQJMNOBHSA-N 440.657 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCCO1 1589608429 HWIBFZALTIAZNZ-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1593694799 AFRXTJBVWXGDSI-AVRDEDQJSA-N 447.023 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC=CCO2)CC1 1594208429 IBVVTLHBEUUKQI-OAHLLOKOSA-N 435.391 4.517 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1594608797 XECQMQHSXLVBFC-KDURUIRLSA-N 434.588 4.514 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1594614802 AMDNLPSBPVLOLT-SIKLNZKXSA-N 426.561 4.542 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N(C)Cc1cccc(Br)c1 1594813429 SMMICNOBMPZJPE-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1594997177 ACYVNOZDKZHOCJ-NFBKMPQASA-N 426.605 4.937 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC2(C)C)C1 1595699866 IJSAOWRBMLBGHZ-GDBMZVCRSA-N 449.368 4.674 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCCCCC1 1596797295 ADLUORVSVHMNID-SFHVURJKSA-N 441.645 4.957 30 10 IJEE C=CC[C@@H]1CCN1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1603353233 SJFXCWMWPFRQKG-LJQANCHMSA-N 434.565 4.520 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C 1618139542 BBAZGSPKNDORAZ-GOSISDBHSA-N 448.972 4.988 30 10 IJEE COCC1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H](C)C#N)CCC1 1619652874 FPYXGANVXCLPPZ-LJQANCHMSA-N 439.604 4.567 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)cc1 1622929722 UHJMWQSOQMBEGG-SFHVURJKSA-N 434.393 4.648 30 10 IJEE C=C[C@H](C)ONC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 1631874291 RZRZUBGKJFPLFY-LBPRGKRZSA-N 425.337 4.960 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(N)c(OC(F)(F)F)c1 1632117969 CAOHIZSCVUYEPI-UHFFFAOYSA-N 447.226 4.897 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCC[C@@H](c4cccc(Cl)c4)C3)CC2)c1C#N 1636107487 HZSXMQSEKCTWAP-IEBWSBKVSA-N 444.004 4.535 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1)C1CC1 1645708024 NZGDQXWVPPKXEN-UHFFFAOYSA-N 426.564 4.873 30 10 IJEE CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1653546484 HKVJOKNNENZBTB-OTWHNJEPSA-N 442.673 4.658 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 1653714925 VGFXNKJGPLCPOO-UHFFFAOYSA-N 447.503 4.869 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C)N2CCC[C@@H](C)C2)cc1OCC 1656044560 FXCPDUJAJOSQRI-SJORKVTESA-N 425.411 4.623 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NCCc1c[nH]c2cccc(Br)c12 1658618817 FLOCLMICOYMQDY-UHFFFAOYSA-N 427.302 4.565 30 10 IJEE Cc1c(S(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)sc2ccc(C#N)cc12 1662518229 GPGCMDAHOOGRNS-AWEZNQCLSA-N 439.345 4.800 30 10 IJEE CC(C)OC(=O)[C@@H](C)CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1662958606 BGGSLKAEVBFBTA-JTQLQIEISA-N 432.336 4.685 30 10 IJEE C=C(Cl)C[C@@H](NCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)C(=O)OCC 1665450175 MKQKEMJPHNKJRF-LJQANCHMSA-N 435.977 4.608 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(Br)ccc1-n1cccn1 1667024280 XVBSMMCITWCLOK-UHFFFAOYSA-N 441.329 4.864 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1672542843 VDYXMKCZODKZTG-MOPGFXCFSA-N 448.405 4.702 30 10 IJEE C[C@](NC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F 1674811071 HNPRCFWPDHCWSD-WBVHZDCISA-N 438.343 4.655 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 1676298428 HIJZXUQQMIHUFP-OTPAQWSUSA-N 427.589 4.752 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1 1677312724 UMWJUMBQZWQGBQ-UHFFFAOYSA-N 440.450 4.927 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 1684083615 XASFGFIJFIEZJQ-OAQYLSRUSA-N 430.379 4.822 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nc2cc(Cl)ccc2s1 1689976582 PTNBNLADWOSDSJ-DNVCBOLYSA-N 444.004 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690237080 VDWWVPCZMQSGCY-YSZBQJHXSA-N 440.636 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCCCCCC1 1690252790 IWIRDCXXRZOKMN-YKSBVNFPSA-N 440.588 4.617 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690456134 WZEPJHWTHDCFRA-NRFANRHFSA-N 437.632 4.951 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1690644861 WGDNQBZUNYPWKJ-LJQANCHMSA-N 443.586 4.814 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1690748935 LYYCSDNVOAABLC-OAQYLSRUSA-N 440.638 4.818 30 10 IJEE C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N)N(C)C(=O)OC(C)(C)C 1692690134 CJHCSYFIIBHNID-HOTGVXAUSA-N 446.983 4.592 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1cnn(C)c1C 1705510005 MPZMDBYFVHCMOG-OAQYLSRUSA-N 434.588 4.517 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1705511516 WXSMWYKTFSXSRX-UYAOXDASSA-N 438.572 4.543 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 1705518430 QHASLDPPJQXFLP-UHFFFAOYSA-N 440.035 4.781 30 10 IJEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(OCCC(C)C)CC1 1705528452 GNNPGQNJHJJZAP-UHFFFAOYSA-N 431.584 4.938 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccsc1 1705665716 BPKXVPGFLNLQSE-LJQANCHMSA-N 442.585 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H](OC)C(CC)CC 1705671099 WFNTWNCJWQJCAL-AUSIDOKSSA-N 429.996 4.827 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705690635 COOXTXVKHCGPHP-IRXDYDNUSA-N 449.368 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1C[C@H](C)O[C@@H](C)C1 1705713212 WYUDGZRXJRPCAH-OALUTQOASA-N 434.588 4.941 30 10 IJEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CCC)Cc1ccc(F)cc1C 1705762010 JHMBVZVZWCYJAV-ICSRJNTNSA-N 436.959 4.619 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(OC)CCCCC2)CC1 1705778997 RAMZWGWHZVBVKV-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(=O)OC)C1 1705789240 DFBYTRJAZMHMFC-IBGZPJMESA-N 449.555 4.592 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705829368 OROZFYZNXGHBNG-IBGZPJMESA-N 438.494 4.768 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1705831832 DXURUZHRHOBCHW-WIYYLYMNSA-N 430.980 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1c(C)noc1C 1705866140 IOJWPGPXIHONGH-LPHOPBHVSA-N 441.601 4.835 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]2CCC[C@@H]21)C(C)C 1705866816 ANZVQGDCNOWQQP-QPXUXIHVSA-N 441.664 4.987 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC=CO1 1705878552 SJQKAUYIXSDUOP-QFIPXVFZSA-N 435.597 4.562 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cnc(C)s1 1705882489 YLTIHFALLJTJNH-OAHLLOKOSA-N 443.642 4.583 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705913067 CNHYKSQOYHEMSB-REWPJTCUSA-N 431.584 4.892 30 10 IJEE CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1708696452 HXGRKNAWTJYQFO-WIOPSUGQSA-N 440.611 4.504 30 10 IJEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)Cc1cccs1 1711972635 FWJFDOGSWLJHKK-SFHVURJKSA-N 435.597 4.558 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCc1nc(C)cs1 1722277476 MZUUWKKEFBLMGB-GOSISDBHSA-N 445.596 4.581 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCC(C)CC2)nc1 1722277496 NDKNSCIXBVSVAT-IBGZPJMESA-N 449.002 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OC)c1ccccc1 1722279076 GIZQRIMRCOOPLR-WFXMLNOXSA-N 434.609 4.977 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722327467 LPNBYOMKCLDHSV-NZQKXSOJSA-N 448.533 4.763 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1ncc(C)s1 1722373749 QDZCFENRUYEWDS-RXVVDRJESA-N 447.608 4.676 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C(C)C)N1CCCC1 1722404019 NCBWNAJQRVDSEF-FQEVSTJZSA-N 434.415 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[C@@H]1OC 1722466978 JLYMMJWYCUMRGT-OPNQQPSUSA-N 442.991 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1ccccn1 1722492718 UCWCRXCJAFPELU-QTJGBDASSA-N 431.584 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1C[C@H](F)c1ccc(Br)cc1 1722518115 UTXPLJYKJRGANE-WMZOPIPTSA-N 437.357 4.658 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1oc(CCC)nc1C 1722526399 DHBAGRKBZVPTCQ-UHFFFAOYSA-N 445.571 4.830 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1722586238 XOJDHAXKSFLYDJ-SJLPKXTDSA-N 443.592 4.798 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1722587872 CUMDPQODZRUQKT-JOCHJYFZSA-N 439.623 4.923 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1722629091 MPQVRZZHRABCOJ-UHFFFAOYSA-N 431.584 4.769 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](c1ccco1)N(C)C 1722634521 QKMZFYPJAOIMSH-APWZRJJASA-N 429.952 4.590 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722643618 UFZFKJBSXHRVCW-INIZCTEOSA-N 437.613 4.726 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccsc1)N(C)C)C1CC1 1722653858 MMXXMRPNDFCOSU-NJDAHSKKSA-N 443.661 4.716 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CCC1CCOCC1 1722659463 XBJWJHFQAUZNSB-UHFFFAOYSA-N 437.613 4.643 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2C)C1 1722690959 NABONLCZPXYVNH-CTNGQTDRSA-N 437.588 4.838 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(C)(C)C(C)C)cc1C 1724389554 COSIUHNDDZLIJO-RUZDIDTESA-N 436.604 4.960 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN(CC)CC 1740540176 YJMOBVAJVKKIIS-FQEVSTJZSA-N 432.616 4.542 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)[C@H]1C 1740568957 WBYJKRGOEGXUIF-CQSZACIVSA-N 437.407 4.576 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)c1nc(C)cs1 1740633381 GBPJORMKMSXTBE-DLBZAZTESA-N 449.649 4.773 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CC1 1740680162 SVPVDPXKZLAWES-GOSISDBHSA-N 430.980 4.574 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@H](C1CCCCC1)N(C)C 1740774801 BBDOQZAPCSYPFY-HSZRJFAPSA-N 427.612 4.921 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](OCC(C)C)C1 1740780693 IXMFOLCKTLWLFP-KRWDZBQOSA-N 449.393 4.544 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)C)CC1 1740838386 OAKZVDPUAONFFS-HXUWFJFHSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1740844379 HYYITEINFPFLKF-UHFFFAOYSA-N 429.996 4.505 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1ccccc1C 1740899023 DDTGCRRJQPXDRM-UHFFFAOYSA-N 439.604 4.566 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@@H]1OC 1740935958 CJSDBCNAVRVISC-QUCCMNQESA-N 441.963 4.637 30 10 IJEE CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(N2CCCCCC2)nc1 1743599339 BTDJMDVPFSNVDD-FQEVSTJZSA-N 435.620 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCc1nccs1 1748646734 CYKMRHFEWACAJY-INIZCTEOSA-N 448.621 4.924 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1748907173 GTRFFYPUNJGRND-RDGPPVDQSA-N 430.980 4.735 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCCSC 1749110329 KSBLCBJXDKSIGR-UHFFFAOYSA-N 439.423 4.572 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F 1749239933 PWRZYGLAIXFVQM-UHFFFAOYSA-N 434.915 4.815 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(OC)CCC2)CC1 1749329618 QGPLGYSBEVIQAF-GOSISDBHSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1749334773 MNVCTXINVSIQDX-KRWDZBQOSA-N 428.886 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749364192 OCWCTIFCTBJKOB-GOSISDBHSA-N 433.478 4.796 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1OC 1749553229 GPVPYTWCHQDMGF-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CC1(C)COC1 1749587052 GFXXLBURJMLVHD-UHFFFAOYSA-N 430.911 4.602 30 10 IJEE Cc1ccc(-c2nc(CCn3c(N4CCC(CC#N)CC4)nnc3C(C)(C)C)co2)cc1 1751466313 DPRRZFPUOPYNMJ-UHFFFAOYSA-N 432.572 4.912 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2cccc(OCC(F)(F)F)c2)o1 1751480330 BXFIFOYFZSBZNI-UHFFFAOYSA-N 445.445 4.576 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(OC(C)C)CC1 1760130760 OWWHZIRMBHFDHG-UHFFFAOYSA-N 432.572 4.533 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1760139884 RYWNOHDQFQHJNQ-UHFFFAOYSA-N 438.591 4.527 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cccs1 1760222904 CQGNMSNOAWWOEH-UHFFFAOYSA-N 445.375 4.737 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN(C)C(C)C 1760228019 SSWSEPUKISDMGV-UHFFFAOYSA-N 432.616 4.542 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1ncc(CC)s1 1760276560 IKKAFNWPYYTJSG-UHFFFAOYSA-N 425.627 4.529 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)CCc1ccc(Br)cc1 1760334704 LFHXWCZPADVWMG-QUCCMNQESA-N 445.405 4.578 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H]1CCSC1 1760352508 YWPCSKCDBUJYIR-AEFFLSMTSA-N 432.659 4.666 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCc2ccc(Cl)nc2C1 1760378761 WHNKXKYZXQBUOX-UHFFFAOYSA-N 444.366 4.838 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCCO2)CC1 1760398547 CECPRJWZLRTUJN-IBGZPJMESA-N 445.405 4.988 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1760401764 BRVAWVDWIDYJOE-PKOBYXMFSA-N 430.543 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncnn1CC(F)F 1760410273 ZAYFNDRVIABCNG-UHFFFAOYSA-N 449.937 4.694 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1760417866 JTJKGYFZBLFDSK-OAQYLSRUSA-N 446.599 4.879 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1cnccn1)c1ccccc1 1760417879 JVMMFHRTXBYOBZ-NRFANRHFSA-N 428.540 4.675 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@H]1C 1760484937 OODMVHXOVGPMCA-HOYKHHGWSA-N 440.588 4.813 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1760486593 SVLNZIDEVBBAHK-UHFFFAOYSA-N 443.617 4.667 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCS[C@@H](C)[C@@H]2C)cc1 1760531554 SFNXKJSMJFCXQE-OALUTQOASA-N 426.630 4.954 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCSC(CC)(CC)C2)cc1 1760531718 XHPUQHPKOQXTMK-OAQYLSRUSA-N 442.629 4.855 30 10 IJEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1767250149 CVBLZRNRWXVAHP-UXHICEINSA-N 447.505 4.973 30 10 IJEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1CC1(OC)CCC(C)CC1 1770400138 IFHWCOLMLQXKCN-UHFFFAOYSA-N 437.588 4.679 30 10 IJEE C=CCOc1ccccc1C=NN=C1NC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)S1 1772742266 JYOQQRZWNQJDSE-GOSISDBHSA-N 434.348 4.722 30 10 IJEE COc1ccc(-c2c(C(=O)Nc3ccccc3C#N)oc3cc(OC)ccc3c2=O)cc1 1859770083 HRCSWZGOUHAASB-UHFFFAOYSA-N 426.428 4.601 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860463523 DYFWAPHTRJIIAO-GFCCVEGCSA-N 440.912 4.502 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4ccc(F)c(F)c4)cc3)CC2)c1 1860684292 CZYGVEXJFYNXAH-UHFFFAOYSA-N 444.437 4.985 30 10 IJEE CCOc1ccc(CCNC(=O)C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OCC 1860733647 NTCUBGJZNNKRSY-VQHVLOKHSA-N 436.335 4.732 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861213499 RMBDDSCCJLBSPA-ATIYNZHBSA-N 447.639 4.799 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCCO)cc1 1862444887 JMSNWJGYZMOTHW-OAQYLSRUSA-N 427.928 4.643 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862475759 UGPIYPOWZCAKRM-XMMPIXPASA-N 427.500 4.961 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)cc2)cc1F 1862638629 GQFWXBUSKPQIIT-BPSNYSSFSA-N 439.483 4.697 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862683087 WCVVZHRRFQAQDO-OAQYLSRUSA-N 439.483 4.771 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(-c2ccccc2)cc1 1862725295 GBOXKPLNVQZEQM-QHCPKHFHSA-N 427.456 4.506 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(Cc3ccccc3)CC2)nc(-c2ccccc2)n1 1867971985 JMSNSYQXOBLUEW-UHFFFAOYSA-N 425.580 4.644 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1 1868867676 GJGUOLIIYWBIHZ-ZEQRLZLVSA-N 436.983 4.762 30 10 IJEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)c1ccc(F)c(F)c1 1870107960 IMCNIKZHPJVCQD-UHFFFAOYSA-N 442.640 4.689 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(C)c1 1870109029 HBWLXCJHRZMJQH-LJQANCHMSA-N 431.540 4.653 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870111410 MGXAWAKOIXZTJR-GJZGRUSLSA-N 446.725 4.900 30 10 IJEE CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(C#N)nnn1-c1ccc(Cl)c(Cl)c1 1870144621 IEWCJSCELPXLGH-CYBMUJFWSA-N 444.322 4.975 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870416948 WOFPIEKRJGDXRD-SFTDATJTSA-N 442.600 4.561 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871251388 BVCNUDKLVPQGMO-UHFFFAOYSA-N 445.563 4.855 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OC(=O)CNC(=O)c4ccccc4)cc(C)c3C2=O)cc1 1871367012 UCZGZEMABOCWRG-UCQKPKSFSA-N 441.483 4.509 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871370485 OCIFOOOTBZHCGD-UUYOSTAYSA-N 434.419 4.743 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871457064 NKNHXBQUJOJJSG-MSXFZWOLSA-N 445.471 4.646 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2)nc(Nc2ccc(OCCC)cc2)[nH]1 1871725068 RNZPIVCZCJYPIC-UHFFFAOYSA-N 430.556 4.616 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871906413 BDMLZRNKQAUGLQ-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872527848 JVNJIDQHUVMPSK-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C(=O)O[C@@H](C)CC)c2)[nH]1 1873469702 COLXAZPVASCDDB-KRWDZBQOSA-N 442.523 4.534 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3CCC(CO)CC3)ncnc2n1CCCC 1873580808 KLZHERRDBKFOCM-UHFFFAOYSA-N 443.636 4.530 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)(C)C)C3)n2/N=C/c2ccccc2)cc1 1874272795 RBPIUDFOJWEOFE-YNYZQSIGSA-N 447.608 4.875 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccco1 1874392105 DKXGNHHQKHRRPF-HIQXPHMNSA-N 431.521 4.636 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OC(C)C 1874429792 BSAVEGKCBFSOEF-BUVRLJJBSA-N 438.553 4.660 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(F)cc2)cc1 1874461118 XBIMCRBEVIJUSF-LSFURLLWSA-N 425.367 4.519 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(O)cc2)c1 1874480791 DKOFLAQYXXKLMJ-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874481504 YYMJVSPDNGTDTI-WYMPLXKRSA-N 445.951 4.981 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccs2)cc1C 1874483256 MFBLJMJAFSCCMT-WSDLNYQXSA-N 427.599 4.867 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)c1 1874694945 CNQICPAAVRFZPT-JLHYYAGUSA-N 446.459 4.785 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1 1875118977 XXRMWFFVRLGSHT-UKTHLTGXSA-N 447.443 4.656 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnccn2)c(Cl)c1 1875193142 UOHSOQZGPYZHCS-GORDUTHDSA-N 429.259 4.907 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)ccc21 1890959715 HDPCGLXOJGFBSR-UHFFFAOYSA-N 444.535 4.883 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)CCc2ccc(OCc3ccccc3)cc2)CC1 1891509130 ANGHZMFTBNOVMB-UHFFFAOYSA-N 441.531 4.535 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCSc2ccc(Cl)cc2)c1 1891998310 JZTHVXDNMIJSBY-UHFFFAOYSA-N 431.001 4.867 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)[C@H]1CCCCN1C(=O)OC(C)(C)C 1922085491 IXJSRCBOEFTKKK-UMFSSWHCSA-N 446.632 4.668 30 10 IJEE Cc1cc(C#N)cc(C[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951966134 YSKNVVYBCXXVED-MHZLTWQESA-N 440.499 4.791 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)CC1 1962840582 ORQGLQWENDPEGL-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 1964760498 FDHZDXZHFMTGFY-OAHLLOKOSA-N 436.350 4.542 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C[C@@H](C)C#N)C1CC1 1984693825 DHKZMMJHLXCJRD-BVZFJXPGSA-N 445.563 4.700 30 10 IJEE CCOC(=O)c1ccc(-c2ccc(C=CC(=O)c3ccc(N4CCOCC4)cc3)o2)cc1 2040963618 UQKTZBVNXCURSU-UHFFFAOYSA-N 431.488 4.856 30 10 IJEE COC(=O)c1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079195879 NBEWDDDCBDTLBM-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2ccc(F)c(C(F)(F)F)c2)c1I 2080822736 YLCVMZUMEVVILF-UHFFFAOYSA-N 438.084 4.868 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2081876274 KYPLPVJGSADKME-GAJHUEQPSA-N 449.523 4.532 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 2102851608 VWGNSRBVSHRCDN-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)N(C)c1cc(Br)cc(F)c1C#N 2118210022 JCTXZWCHCRWABI-CYBMUJFWSA-N 428.346 4.932 30 10 IJEE COC[C@@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CCCCO1 2146065828 GLMCWXDRCAQXBO-YLJYHZDGSA-N 439.350 4.668 30 10 IJEE N#C[C@@H](C(=O)c1cc(I)ccc1F)c1ccccc1Br 2146604605 SCYBXKINAIKDFK-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE N#Cc1c(Br)cccc1N[C@@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156295216 GOSKAQCSJCQOLS-AVRDEDQJSA-N 426.358 4.556 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 2159127665 IXFJHBKOHRHIHI-ROUUACIJSA-N 441.385 4.806 30 10 IJEE CC[C@@H](CCC(C)C)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2186004995 IBUCBAVSSFMZOU-INIZCTEOSA-N 425.220 4.794 30 10 IJEE C=C([C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221690838 JDYNVDDRJVYRDI-IRXDYDNUSA-N 427.459 4.646 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1cccnc1NC(=O)OC(C)(C)C 2235727622 YYCQZQPBEASGCZ-GOSISDBHSA-N 430.346 4.893 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2260371700 DAURFDUABJDKIP-XLIONFOSSA-N 447.450 4.865 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2265983367 JWWPLWPSRNMDJQ-UHFFFAOYSA-N 444.312 4.968 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3ccccc3OCc3ccccc3)ccc2F)OC1(C)C 2281793963 ZICQDOMWCMHWOX-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC1(C)C[C@@](C#Cc2ccccc2Br)(OCCN)[C@H]1OCc1ccccc1 2292593978 TTYDCCQWXRVSHJ-JTHBVZDNSA-N 428.370 4.530 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccccc3)N(C)C2=O)cc(Br)c1O 2293749594 XBXLMFFUVKCVPS-UHFFFAOYSA-N 433.327 4.787 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@@H](O)C#Cc1ccc(Br)cc1 2296277766 WEZLFLJBINSXSJ-UXHICEINSA-N 436.390 4.883 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 2296298041 GAWKKPZMZXGBHQ-OXJNMPFZSA-N 435.406 4.672 30 10 IJEE O=C1C(=Cc2ccccc2Br)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 2296779168 UQWNRHHEMPKNOD-UHFFFAOYSA-N 449.304 4.812 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc(OC)c1OC 2296867437 PEEAVSJETFBCNY-UHFFFAOYSA-N 438.476 4.814 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2C1=O 2296871201 CNUUGFVCDDEABI-UHFFFAOYSA-N 440.448 4.608 30 10 IJEE Cc1ccc(C(=O)N2CCN(c3oc(C=Cc4ccccc4Cl)nc3C#N)CC2)cc1 2297368255 TVBVGXFJUAGVAL-UHFFFAOYSA-N 432.911 4.641 30 10 IJEE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O 2297532031 HAODWTMRARFJTN-UHFFFAOYSA-N 441.878 4.833 30 10 IJEE SC[C@H](COc1cc(Br)cc(I)c1)CC1CC1 2301131298 JYDWXSJMMUVMBP-JTQLQIEISA-N 427.145 4.779 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(C)nnc1SCC(=O)Nc1ccc(F)cc1 2321106611 NCKAYIKZTXYFNO-UHFFFAOYSA-N 449.511 4.500 30 10 IJEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1cnc2ccccc2n1 2321820453 RUDGIJBISKBBPA-UHFFFAOYSA-N 432.406 4.554 30 10 IJEE CCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(OC)cc1C(C)(C)C 2322284195 VHVKJNWDAAOORL-UHFFFAOYSA-N 440.569 4.733 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2322724592 JMTOHNJTOUBIIX-UHFFFAOYSA-N 429.472 4.905 30 10 IJEE CCOc1cc(C=NNc2cnnc(O)c2Cl)ccc1OCc1ccccc1Cl 2323101740 FYYPDNPKGJFEJU-UHFFFAOYSA-N 433.295 4.913 30 10 IJEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2324358740 ZKCTYSZJLBNVFT-UHFFFAOYSA-N 442.508 4.557 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(F)cc1F 2325747021 JCUCFYOZNQARQW-UHFFFAOYSA-N 438.382 4.817 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc(OC)c1OC 2328863631 DVIVKDBATCXHOI-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE O=C(CSc1nnc(CCc2ccccc2)n1N=Cc1ccccc1)Nc1ccccc1 2330156625 LUGBRBUDAORSTC-UHFFFAOYSA-N 441.560 4.676 30 10 IJEE CCCSc1nnc(CC2CCCCC2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330278921 XITMNNMKHLIRRS-UHFFFAOYSA-N 432.590 4.811 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccs1 2330805395 GEYNYDCCNVGPNE-UHFFFAOYSA-N 431.562 4.680 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)COc3ccccc3)c(OC)c2)cc1 2330954805 FUUSXDREMMSMCF-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCCNC(=O)CSc1nnc(C2CCCC2)n1N=Cc1c(Cl)cccc1Cl 2331051667 YXFNDNACOMWLIR-UHFFFAOYSA-N 440.400 4.743 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)cc1OC 2331115979 UFKKSQOESFGUFU-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331281610 UKMCZIZURLLNMS-UHFFFAOYSA-N 436.581 4.905 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1O 2331307088 DUHOCUMBGDPJRH-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331459914 AFRFSUTWSPYMQK-UHFFFAOYSA-N 445.443 4.989 30 10 IJEE CC[C@@]1(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339577309 QRJCXAVTPJKEMN-SWDTZWKESA-N 443.397 4.928 30 10 IJEE Cc1cccc2c1N(C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)CCN2C(=O)OC(C)(C)C 2352860651 ZBGPFPPCFIMEFQ-IAGOWNOFSA-N 442.365 4.565 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@@H](N)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360197229 ILSLFIQELDRHTD-FUMNGEBKSA-N 433.390 4.554 30 10 IJEE C[C@@H]1CCC[C@@H]1N[C@@H](C#Cc1ccccc1Br)CCNC(=O)OC(C)(C)C 2367588307 DIKGLOKNKYOOBA-KPFFTGBYSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2cc(Nc3cc(Cl)c(Br)cc3F)ncc2F)OC1(C)C 2371994380 XDTOYSHWANIJLK-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE C=CCN(C(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1nc(-c2ccccc2)cs1 14723583 YAZOGQHLJZYLCM-UHFFFAOYSA-N 430.533 4.934 30 10 IJEE COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)c1 21233686 POODYWHCJSCDSD-AVRDEDQJSA-N 449.547 4.743 30 10 IJEE CCOc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3C(=O)OC)n2)cc1 33011064 QUIXSEPWYZGQRY-UHFFFAOYSA-N 447.516 4.536 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 41587566 LWZXJGOJMSIBHR-AQHIEDMUSA-N 427.456 4.692 30 10 IJEE C=CCn1c(SCC(=O)C2C3CC4CC(C3)CC2C4)nnc1-c1cccc([N+](=O)[O-])c1 59788833 MTOKXKOMNIFTNQ-UHFFFAOYSA-N 438.553 4.773 30 10 IJEE Cn1c2ccc(Br)cc2c2nnc(N/N=C/c3cccc4ccccc34)nc21 64981452 AAMGQSLZBNELIZ-FSJBWODESA-N 431.297 4.878 30 10 IJEE C=CCOc1ccccc1NC(=O)CNc1cccc(C(=O)N(C)Cc2ccccc2)c1 66096227 OEQDEUNZABGXFN-UHFFFAOYSA-N 429.520 4.574 30 10 IJEE Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 72071111 HVXMLRMVFNRRHO-UHFFFAOYSA-N 436.327 4.626 30 10 IJEE CCN(CC)c1ccc(/C=C2/CCC(/C=N/N=C/c3cccnc3)=C2N2CCOCC2)cc1 89969101 IFUPFELSZJZFLF-GEAFVKFMSA-N 443.595 4.796 30 10 IJEE CCCCCCCOc1cccc(OCC(=O)OCCOc2ccc([N+](=O)[O-])cc2)c1 100973334 BYJMMVGIJKPNHL-UHFFFAOYSA-N 431.485 4.945 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc3ccccc23)cc1 102485794 WWWCYSAVEZMJJF-AGGMBTAESA-N 441.512 4.934 30 10 IJEE CCc1ccc([C@@H]2/C(=C(/O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 102542354 AVQZMMAASMFSJC-QQYUXEJHSA-N 442.515 4.583 30 10 IJEE CCCCCCOc1c(OC)cc(/C=N\NC(=S)NCc2ccccc2)cc1[N+](=O)[O-] 169940642 GMWJDBJDAJLZBE-JLPGSUDCSA-N 444.557 4.561 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)s1 170021931 MZJTWEOJZFKNGJ-SFHVURJKSA-N 439.924 4.900 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccc(OC)c1 170117418 IPWHWGPICSQKJZ-JOCHJYFZSA-N 437.536 4.526 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccn2)c1 170182335 HLZPHNXCRBSSTK-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccnc2)c1 170186197 QKNASZFNNBWMDE-HSZRJFAPSA-N 444.487 4.605 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(F)cc2)c1 170237829 JOPMMNBGWJNBFU-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccco2)cc1 170279100 TZXJGYJTIRECCA-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)c(OC)c1 170305464 ZYBRASIBJLOMBA-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2sccc2C)cc1C 170314678 KTPDVSKKMUCZMG-HXUWFJFHSA-N 435.501 4.862 30 10 IJEE CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC)C2=O)ccc1OCC#N 252627391 RTGLEGQWEWTROQ-PYYWQZPNSA-N 437.521 4.620 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccc(F)cc2)/C1=C(O)/C=C\c1ccccc1 254740351 QSQYGJQYAYILDM-BEIFPPOCSA-N 443.430 4.706 30 10 IJEE Cc1ccc(CN2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 404402550 WVBDFCBKKLYPEA-RJGXRXQPSA-N 448.460 4.778 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1 442143819 XSKKGIJMVAEBCK-IEZWGBDMSA-N 425.554 4.921 30 10 IJEE C[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(-c2cccnc2)cc1 476633170 LYQCHFOSJPYGCV-MSOLQXFVSA-N 444.560 4.959 30 10 IJEE C=CCn1c(SCc2cn(C(C)C)nn2)nc2scc(-c3cccs3)c2c1=O 488266049 TZBRZEJOXYBGGC-UHFFFAOYSA-N 429.596 4.837 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2ccsc2)C1 508498912 WGDZEISWKOGHHQ-CYBMUJFWSA-N 437.388 4.595 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](CC(F)(F)F)C1 508928863 DIVVWKFUAXCEPH-NSHDSACASA-N 433.247 4.811 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(CC)nc3onc(C(C)C)c23)cc1 509547204 ZMLMCYPSMOZKJZ-UHFFFAOYSA-N 432.524 4.975 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cc(OC)ccc2OC)c1 526489050 OTQGOTSDMSVSNN-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](CC(F)(F)F)C1 549302314 VLJPATPAIFFRMV-OAHLLOKOSA-N 426.508 4.934 30 10 IJEE COc1cc(OC)cc(N(CCCC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586243850 OCQRREKEBQZIQT-UHFFFAOYSA-N 429.325 4.510 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)nc2)c1 586686444 ZCTLCIAXEGXUGB-UHFFFAOYSA-N 433.556 4.776 30 10 IJEE N#C[C@H](C(=O)c1cccc(F)c1I)c1cccc(Br)c1 721679746 DKLYMNRYYVCKGW-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE C#CCN(C(=O)NC/C=C/c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 733348037 FQNHFLPEYPIKFX-ZGBFETHSSA-N 425.326 4.631 30 10 IJEE CCCOc1ccc(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(C)c1 740506977 GHDDWZCJSWGFLG-UHFFFAOYSA-N 433.533 4.639 30 10 IJEE N#Cc1cccc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 748276951 XQXIJNYHEDZJEU-UHFFFAOYSA-N 441.418 4.818 30 10 IJEE CCOC(=O)c1csc([C@@H](C#N)C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)n1 770436969 NMJKAFSPRWZLJE-BPLGCGBFSA-N 428.819 4.795 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)CCCN1C(=O)OC(C)(C)C 790582787 MDQUPTVSVRZJGA-QFIPXVFZSA-N 433.574 4.745 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 807081652 FVLZDBWUNCGGCR-UHFFFAOYSA-N 425.488 4.848 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)CCCN1C(=O)OC(C)(C)C 819093282 WCMDTFNPGBVJNA-SMTRDTIPSA-N 441.572 4.732 30 10 IJEE CCCc1ccc(-c2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)sc2C)cc1 1124440884 FJZHSOZQDKAMKW-FQEVSTJZSA-N 444.560 4.934 30 10 IJEE C#CC[C@H](NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21)c1ccccc1 1127325850 BUNZQTPBBRJHLD-SFHVURJKSA-N 428.458 4.763 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1 1130078302 NAOSBSUXUVOTQQ-UHFFFAOYSA-N 428.311 4.622 30 10 IJEE C#C[C@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Br)cc1 1141461601 ZKSWDSQNFYCPCL-AWEZNQCLSA-N 431.639 4.550 30 10 IJEE C#C[C@@H](NC(=O)CSc1nccn1-c1ccc(C)c(C)c1)c1ccc(Cl)cc1F 1157507543 IDOPKPMOJMIPHX-HXUWFJFHSA-N 427.932 4.864 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(Cn2cc(C#N)c3ccsc3c2=O)cs1 1166666816 PXQMZOSBYSJAQH-UHFFFAOYSA-N 440.937 4.777 30 10 IJEE C#C[C@H](NC(=O)Nc1ncc(Cc2ccccc2)s1)c1ccc(Br)cc1 1197028003 QCNWCLWIZBHTQQ-SFHVURJKSA-N 426.339 4.992 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 1213548767 NNTNTMUCYKYRRJ-INIZCTEOSA-N 428.432 4.990 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCCO2)C1 1256718588 CJQVAFKBDWTMOT-HOTGVXAUSA-N 444.988 4.774 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnc(SC)c1)c1ccc2c(c1)OCCO2 1264221027 CHXAJYZGYTWXEN-UHFFFAOYSA-N 448.544 4.987 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1OC 1264248954 LVAJUMVNPPYOAV-VQHVLOKHSA-N 426.494 4.539 30 10 IJEE C#CCSc1ccc(COC(=O)c2nn(-c3ccccc3F)cc2Br)cc1 1269309002 VGVDUDCVOIPCDO-UHFFFAOYSA-N 445.313 4.856 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)C(F)(F)F)cc1 1272452741 DNWYVLFSGRMDPS-QFIPXVFZSA-N 438.405 4.705 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccc(Cl)cc1F 1275498472 OJPZSXNHUBUTJH-PMACEKPBSA-N 446.906 4.544 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1286302236 CDYDAQOKHBTBIO-XJUOHMSHSA-N 447.652 4.689 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1286324699 SGLJHBBQMNBIGS-UHFFFAOYSA-N 428.584 4.841 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1286382766 ZOMKCCOWWVQBRS-UHFFFAOYSA-N 448.640 4.669 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CC 1286552351 QDLHMECAROGXDU-IEBWSBKVSA-N 433.394 4.843 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1286651688 IOBIMNPRZFMVAT-ICSRJNTNSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](SCC)C1 1286675704 RKDJJSKLXMXXKV-HXUWFJFHSA-N 430.666 4.854 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC(C)(C)C1 1286701588 ZATBKSDIGPWQFM-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCCN1CCCC[C@@H]1C 1286718246 CLWFWTXDVBOIJA-SFHVURJKSA-N 446.437 4.984 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1286831962 NKETYOGQBSLHGU-UHFFFAOYSA-N 442.673 4.608 30 10 IJEE C#CCN(C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)[C@H]1CCCc2ccccc21 1289233540 SERFWNKGOGVHAQ-GHTZIAJQSA-N 428.985 4.695 30 10 IJEE C[C@@H]1C[C@H](CCn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)CCO1 1291016084 AMDIBPXZKWNESX-QZTJIDSGSA-N 427.980 4.934 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 1291992339 QRZAGSAGBAXWMS-HXUWFJFHSA-N 443.519 4.879 30 10 IJEE CCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3F)nnc2N(CCC#N)CC2CC2)o1 1292684187 GYXXIRWEUSPDQM-UHFFFAOYSA-N 442.926 4.775 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 1293882409 ZRKHXXRIPIMUQJ-DFBJGRDBSA-N 444.547 4.593 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccc(F)c1 1300276951 SYBPCLUAUKKTKH-AWEZNQCLSA-N 444.352 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1300284490 SPTDOEBMPWWJDS-UQASEVPWSA-N 431.378 4.513 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1300325424 ZKVUSOAUOBFDLN-NHCUHLMSSA-N 439.673 4.847 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1300399358 JEVLZWWVAZLMGE-UHFFFAOYSA-N 437.588 4.551 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](c1cccnc1)C(C)C 1300438264 JNTCRISOOVOSAP-FQEVSTJZSA-N 438.373 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC2CCCC2)c1 1300905437 QZPLUVHUHUEWSO-UHFFFAOYSA-N 442.567 4.984 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1301135018 RBGPOTJLYZDNCI-RDGATRHJSA-N 436.600 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301140669 AHIZVJPUGGTURN-LJQANCHMSA-N 436.560 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCN(C(=O)c3ccccc3F)CC2)nnc1C(C)(C)C 1301158389 CVRXNOOVXHZKML-UHFFFAOYSA-N 441.595 4.670 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1Cc1ccnc(-n2cccn2)c1 1301346683 IMHAKGOCTISVTC-FQEVSTJZSA-N 427.556 4.613 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C 1301365443 PNNLEICBGGNBIK-CVDCTZTESA-N 437.613 4.579 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)F)C1 1301594827 JUDCFUSMDLONEK-HOTGVXAUSA-N 440.535 4.958 30 10 IJEE CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C#N)c1 1303067544 FATDICKZKMVHBP-UHFFFAOYSA-N 427.350 4.590 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)c2c(C)noc2C)cc1C 1304395464 CTGZZHKMPSQLNR-ROUUACIJSA-N 436.560 4.621 30 10 IJEE C=CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)ccc1F 1307448232 QRLNCWOUGOMZLB-UHFFFAOYSA-N 436.281 4.513 30 10 IJEE Cc1ccc(COc2cccc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)c2)cc1 1310313520 DBBHDUYJHJIZFB-UHFFFAOYSA-N 426.520 4.800 30 10 IJEE C#CCC[C@@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1311347742 GJKVWMFNKZUNLZ-VQIMIIECSA-N 444.362 4.680 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCC1 1314059723 AEQMTDKSJDXQQP-JYFHCDHNSA-N 446.599 4.932 30 10 IJEE COC1(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CC#N)CC2)CCC1 1315263669 IFWRPVLMROONTQ-UHFFFAOYSA-N 431.943 4.827 30 10 IJEE C=CC[C@]1(c2nnc(-c3ccc(CN(CC)CC)o3)o2)CCCN1C(=O)OC(C)(C)C 1323078350 YQDQYCRZEJOZAG-HSZRJFAPSA-N 430.549 4.974 30 10 IJEE Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1ncc(C#N)cc1Cl 1352092079 GJAWTUDQHNGXTB-NRFANRHFSA-N 430.895 4.515 30 10 IJEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)cc1 1354814135 HHHZTRKEUDKCJL-QFIPXVFZSA-N 440.547 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(CC)CC 1359092696 DTEIVFOENOQMPX-CVDCTZTESA-N 436.556 4.945 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359118779 CBJJFIHBYODAFS-SFHVURJKSA-N 431.378 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1359185085 KTIHMHZBZQNPBE-LJQANCHMSA-N 442.604 4.958 30 10 IJEE CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1360122900 CZLHHWSCMUGQGP-NRFANRHFSA-N 431.561 4.664 30 10 IJEE C=CCn1c(SCC(=O)NCc2cccc(CC)c2)nnc1-c1ccc(Cl)cc1 1437353010 PODTZGVLBCDJDQ-UHFFFAOYSA-N 426.973 4.755 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)cc1OC 1437876657 NSJSBJSSNNXDHP-YPJOJRFLSA-N 449.547 4.741 30 10 IJEE C#C[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc12)c1ccc(Br)cc1 1457837413 AUHVTIMIXANCGO-MRXNPFEDSA-N 432.115 4.797 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 1459977013 GQPUPTHAXOUUTM-IBGZPJMESA-N 433.733 4.872 30 10 IJEE C=CCN(C(=O)CN(C)CC1(C)COC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1460458773 HWELLSPXCYNFEH-UHFFFAOYSA-N 440.396 4.604 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 1467547504 AGPAUCGEZSHKTD-RBUKOAKNSA-N 449.389 4.728 30 10 IJEE C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1467613148 GYPVEYBBFVYZPV-IFXJQAMLSA-N 436.408 4.817 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 1469470376 ZXTKXBXUAHXVBX-JOCHJYFZSA-N 442.401 4.984 30 10 IJEE C=CCCC1(CNC(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)CCCC1 1470075586 YPPSOPPMWROQID-UHFFFAOYSA-N 431.627 4.762 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cccc4c3OCCN(C(=O)OC(C)(C)C)C4)cc2n1 1472038218 IDUVCTIBNAUTGV-UHFFFAOYSA-N 448.523 4.604 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 1473140090 DKHPUYCIYFUBHM-CYBMUJFWSA-N 436.281 4.512 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C 1474881873 HCKNIVSWGBKHPH-HGHGUNKESA-N 440.565 4.611 30 10 IJEE CN(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1476792203 FVGJNWWFNSJNAY-ZIAGYGMSSA-N 429.380 4.970 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)N(C)C 1478673810 IRUXTWGUALOQSR-HKBOAZHASA-N 442.431 4.825 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H](O)C1 1503466238 DTECYSODJOTVSV-WMZOPIPTSA-N 441.988 4.719 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](OC)[C@@H](C)CC 1507545166 ITAIDLZQMKAJRL-YZVOILCLSA-N 439.387 4.683 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCC(C(F)(F)F)CC1 1507652823 OMYXTKKJQYCUBV-UHFFFAOYSA-N 448.920 4.964 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OCCC)nc1 1507681159 SXGKJKKCIRYDLP-GOSISDBHSA-N 449.624 4.823 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1csc(CC)n1 1507747355 JDJYSFVXDNFNIC-UHFFFAOYSA-N 448.621 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1C 1507797624 PWEOVCQLGYBDKH-POAQFYNOSA-N 445.405 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC1(c2ccccc2C)CCOCC1 1507819373 QBOVYBXKNJBEQV-HSZRJFAPSA-N 438.616 4.979 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCOC(C)(C)[C@H]1C 1507840245 YPGPVYCZXCUPSS-QZTJIDSGSA-N 444.645 4.728 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1507853282 DDIPTLJWNPHPKG-KDOFPFPSSA-N 436.387 4.629 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1507897051 LXEOWYDLNTXUJH-UHFFFAOYSA-N 435.616 4.559 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1507996809 KKHRJQWSSBSOQF-KDURUIRLSA-N 427.662 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@H]1C(C)C 1508006790 LLPAZGHYMYUZBL-KNQAVFIVSA-N 439.629 4.989 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)C(C)C 1508009202 MQLFHRTVINAHPA-QHCPKHFHSA-N 426.586 4.615 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1 1508049681 FMEKBTMFBMMLDJ-HNNXBMFYSA-N 437.357 4.817 30 10 IJEE O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)n1 1516260708 BAOPWNHMYFPCRL-OAHLLOKOSA-N 446.326 4.849 30 10 IJEE C=CC[C@H](C(=O)NCc1ccc(I)cc1Cl)c1ccccc1 1524281559 KLEAFFWTKYSJLA-INIZCTEOSA-N 425.697 4.921 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 1525419450 AQIQWPYDBCCUGT-XMSQKQJNSA-N 430.390 4.625 30 10 IJEE CC(C)(C)c1cc(NC(=O)CSCc2ccc(C#N)cc2)n(-c2ccc(C#N)cc2)n1 1525661981 GQJBETNULAKSBQ-UHFFFAOYSA-N 429.549 4.785 30 10 IJEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1526620578 CWTXRZXRNZJNAO-UHFFFAOYSA-N 440.551 4.744 30 10 IJEE C[C@@H](C#N)N(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1526981575 BRRYTOGKTRESSX-INIZCTEOSA-N 429.911 4.784 30 10 IJEE C=CCN(C(=O)c1ncc(C(F)(F)F)cc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1529014534 IWVADHYQYKXTOT-KRWDZBQOSA-N 440.849 4.556 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2ccc(Br)cc2)s1 1531579624 KHIWAFUPZGZNTG-UHFFFAOYSA-N 434.355 4.595 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3ccccc3nc2C)c(C(=O)OCC)c1C 1532544877 DDTMNQMYQFBHFZ-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1536873070 YQWRZWNETOFGIT-NQIIRXRSSA-N 442.556 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1538983776 XHDPUPQWEWENBS-DLBZAZTESA-N 432.515 4.636 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)c1 1539121806 NWGMBJCWOXITAI-UHFFFAOYSA-N 449.370 4.519 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)c(C)c1 1539351530 YAWSCWNNJZMNMP-UHFFFAOYSA-N 433.350 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1539534576 UGWKALPLQSABCE-WZONZLPQSA-N 431.625 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC)CC1 1539622932 IXSQFYSVZAWMHK-CVDCTZTESA-N 440.588 4.570 30 10 IJEE O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1[S@@](=O)C(F)(F)F 1539680579 FISOTENOQORBDN-MUUNZHRXSA-N 429.313 4.647 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1539874255 KZKXIVJVPOQEEG-LEDOBFOHSA-N 440.563 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1539912480 LEEYDYOVXIRBKK-IBGZPJMESA-N 437.588 4.659 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1oc2ccc(F)cc2c1C 1539946181 ZWQYTHTWUJESKP-LJQANCHMSA-N 439.535 4.654 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1540108714 LKSBOTHMZGHJTE-IQGLISFBSA-N 443.586 4.812 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCCc1c[nH]nc1C 1540126308 JCOPPHDYHQJWAP-UHFFFAOYSA-N 427.556 4.505 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CSc1nc2ccccc2[nH]1 1546226199 HZMXBVLIXAULGK-UHFFFAOYSA-N 434.334 4.771 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])c(C)n2)nnc1-c1ccc(Br)cc1 1559059291 FIUPGOMGOCZMPQ-UHFFFAOYSA-N 432.303 4.656 30 10 IJEE C=CCn1c(SCC[C@@H]2Sc3ccccc3NC2=O)nnc1-c1ccccc1OC 1559321083 CFHWWOFDRWFDCF-IBGZPJMESA-N 438.578 4.735 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC 1560658869 ONITUEAMJMAGEA-UHFFFAOYSA-N 449.378 4.915 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 1561745350 PCZXDYHXPSLPLB-BHIYHBOVSA-N 427.994 4.701 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 1562119003 BPRRBNZNECGEBJ-UHFFFAOYSA-N 444.478 4.688 30 10 IJEE CCC[C@H]1CCc2nc(NC(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)sc2C1 1562698342 CBMSREIVPNQSIN-HNNXBMFYSA-N 434.569 4.642 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CC)Cc3ccccc3C(F)(F)F)n[nH]2)c1C 1566057847 ODTWQCNKHGYFKK-QGZVFWFLSA-N 445.489 4.846 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1C[C@H](OCC)C12CCCCC2 1566156514 XPMWJRZMOVERCB-BZSNNMDCSA-N 429.001 4.609 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N(CCn3ccnc3)C3CCSCC3)c2)cc1 1568917131 DFVWBYKQRXDMJF-UHFFFAOYSA-N 431.565 4.536 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)C1 1585882145 ROOKUOWIDPUGRL-QURRFSBHSA-N 444.575 4.750 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ncc(CC)s1 1587808197 NUNFFUNWZOCHHA-MRXNPFEDSA-N 427.549 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCc1csc(C(C)C)n1 1588193464 DGYTUBQCABPMJK-UHFFFAOYSA-N 443.576 4.977 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1588210265 GPGZDWLFXWJEPR-FYYLOGMGSA-N 432.612 4.946 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1589007783 QVZNNQONGMELDK-SFHVURJKSA-N 426.630 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[C@@H]1CC 1589162814 GIFVJEITZRLJFW-GSHUGGBRSA-N 444.421 4.865 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC=C(COC)CC1 1589304559 HVLWMXZGDMIGIJ-LJQANCHMSA-N 431.378 4.512 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC(C)C)C1 1593621779 YZSXEIORNDMNTH-IBGZPJMESA-N 434.588 4.514 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(OC(C)C)nc2)CC1 1594248061 VBCPXUANRQBOTR-UHFFFAOYSA-N 435.547 4.641 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCCc2cccc(C)n2)CC1 1594438286 SIJJNUVCROWSKP-UHFFFAOYSA-N 447.583 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1594511004 HUYJEWKUJCEATL-OAQYLSRUSA-N 447.583 4.533 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(CCC(N)=O)CC1)c1ccccc1 1594545249 SDIGOVBJIJKKND-QFIPXVFZSA-N 447.583 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cccnc1OC 1594867858 QNMCNJVZZAFYQG-UHFFFAOYSA-N 425.945 4.887 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cc(C(C)(C)C)no1 1594913860 QEHNPUVAVBXZDM-UHFFFAOYSA-N 439.560 4.697 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H](C)CN1CCCCC1 1595127329 MLWDQCGZTOUPJX-NRFANRHFSA-N 448.590 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC1(N2CCOCC2)CCCCC1 1595143076 ZOXNNBLITZWXFV-UHFFFAOYSA-N 443.661 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)CC 1595161455 ANSMVNRGZVTXHU-XMMPIXPASA-N 435.597 4.765 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCOC1 1595179091 XKXCZNAAQHNXPO-LJQANCHMSA-N 435.597 4.982 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCCC)CC1 1595854566 GBDBAOFFDJMGKX-SFHVURJKSA-N 436.025 4.698 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)CC)cc1)c1ccccc1 1611052901 LRHUSCSXAYCXQP-JOCHJYFZSA-N 435.570 4.736 30 10 IJEE Cc1ccoc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H](C)CC#N 1611878996 GVWCSMWYZGOUFF-CYBMUJFWSA-N 432.297 4.535 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)o1 1614434276 BZLIMYUSEKCNNC-OAHLLOKOSA-N 442.951 4.546 30 10 IJEE C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CN(Cc2ccccc2)CCO1 1620809550 DVFALALXOCXWAA-DFHRPNOPSA-N 441.575 4.516 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(-c3nnco3)ccc2C)cc1OC 1620853242 SKNJTGIQZWXWFS-UHFFFAOYSA-N 430.302 4.993 30 10 IJEE C#C[C@@H](NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 1621368304 GGOSGPKGBLQVKM-QETWGEEDSA-N 431.363 4.764 30 10 IJEE COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 1623075291 GASQZINWKHAPJP-FYSMJZIKSA-N 447.491 4.611 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 1623284926 CSTFBUFZZOWCOT-UHFFFAOYSA-N 426.307 4.904 30 10 IJEE CCCCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCCC[C@H]1OC 1623285013 GBKOALJFICSDKF-WOJBJXKFSA-N 429.952 4.989 30 10 IJEE C/C(=C\C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(F)c1 1628763212 CQTQENKFJOPQAM-HCWHUNCVSA-N 435.339 4.814 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)CCc3cccc(OCc4ccccc4)c3)CCO2)c1 1632183290 HXHTZFSQGPGQRL-AREMUKBSSA-N 426.516 4.670 30 10 IJEE C#CCC[C@@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 1633895548 IYRVDMSOCIPABP-XLEPWJDSSA-N 430.935 4.879 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 1635515672 XAYADXAUSWPVIT-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE COc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1OCCN(C)C 1638243165 BABLXXRUKCDNTQ-UHFFFAOYSA-N 449.482 4.691 30 10 IJEE C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 1638264052 CCEUFTBWPFCGPI-RXVVDRJESA-N 434.536 4.985 30 10 IJEE COC(=O)c1ccc(CNc2cc(Br)c(C#N)cc2F)c(Br)c1 1639784699 HNDISTFUUXUQGL-UHFFFAOYSA-N 442.082 4.621 30 10 IJEE C=CCc1cc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC 1640070394 FHBINKXRGCRMOB-UHFFFAOYSA-N 435.351 4.702 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2cc(Br)c(C#N)cc2F)C1 1640404067 YCKWSTYZSJHXQT-LBPRGKRZSA-N 448.283 4.764 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)CCCN1C(=O)OC(C)(C)C 1641470499 UKIXPSACXWBNIY-HSZRJFAPSA-N 428.529 4.706 30 10 IJEE C#C[C@H](NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1ccc(Cl)cc1 1642102996 JOPKZZBILMMDQA-QAPCUYQASA-N 427.932 4.558 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1ccc(OCC(F)(F)F)cc1 1643038037 FSFLPCWBSIOYQX-ZDUSSCGKSA-N 425.838 4.612 30 10 IJEE C=CCCOCCCCC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 1643424334 CKSJSIGGOXKFTR-JOCHJYFZSA-N 434.621 4.778 30 10 IJEE CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CCC(=O)Nc1ccccc1C#N 1645874112 DHCJZGSMTGLIQN-HSZRJFAPSA-N 439.003 4.773 30 10 IJEE C#C[C@H](Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 1651981363 JHCJXPZWXKJDAA-NRFANRHFSA-N 435.505 4.596 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1653274839 RNSNACHRURFWMC-OAQYLSRUSA-N 443.360 4.836 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 1653882141 FWCQSAWQYLPTAR-LJQANCHMSA-N 437.334 4.670 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 1660547579 KAPACSWVPKQJPF-PXNSSMCTSA-N 431.581 4.712 30 10 IJEE CC[C@@](C)(CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)OC 1661514988 BVDADHOLMPHDPD-SFHVURJKSA-N 426.464 4.561 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)c1ccccc1 1665225701 AKIBNNRQTRIRNV-XDBZFTIUSA-N 446.516 4.965 30 10 IJEE Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)cc1Br 1667452794 DOUQLBQDQKBLKD-PKOBYXMFSA-N 433.371 4.526 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccc(C(F)(F)F)cc1 1668172957 YAIWLHNGSSMXIU-IBGZPJMESA-N 441.471 4.868 30 10 IJEE COc1cc(OC)cc(Oc2ccc(CNC(=O)Nc3cc(C#N)ccc3OC)cc2)c1 1668486037 BEWNOZIMGVBQJC-UHFFFAOYSA-N 433.464 4.698 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1668986264 PEIQHSXRMPJVIV-QFIPXVFZSA-N 446.457 4.890 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2 1670063328 AEIHZABVMJNDOO-UHFFFAOYSA-N 427.570 4.970 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Nc2cc(Cl)ccc2OC2CCCC2)C1 1671024115 GHKAWQRAAMADJW-KDOFPFPSSA-N 448.951 4.542 30 10 IJEE CCOC(=O)C[C@@H](C)CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1678740978 CDIISOZWWGOSKR-SNVBAGLBSA-N 432.336 4.687 30 10 IJEE COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1680010223 HXNIWGTVBKGNST-AFMDSPMNSA-N 442.563 4.897 30 10 IJEE Cc1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2=O)cc1 1681283157 FDSFATZWPBIGDM-HXUWFJFHSA-N 438.531 4.653 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 1682352196 IESHQEYHFRNPDA-DNQXCXABSA-N 443.934 4.711 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1682827664 KZRIHAPPBSCTHE-IEBWSBKVSA-N 427.545 4.833 30 10 IJEE C#C[C@H](NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)c1ccc(F)cc1 1683498732 WSIDERZPEOJLOI-IBGZPJMESA-N 443.316 4.541 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1)c1ccc(Br)cc1 1683512824 RBNMUHHKILYOEE-HNAYVOBHSA-N 447.760 4.990 30 10 IJEE C#C[C@H](NC(=O)N1CC(Cc2ccc(Br)cc2)C1)c1ccc(Cl)cc1F 1683516974 NDAJAIWESFLZEB-IBGZPJMESA-N 435.724 4.800 30 10 IJEE Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1683532766 GIDMPQMUHHHPEE-IZZNHLLZSA-N 430.596 4.809 30 10 IJEE C#C[C@H](NC(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1)c1ccc(Br)cc1 1686920031 RLRNBJDSDPHQRU-IERDGZPVSA-N 429.358 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1cc(C(F)(F)F)ccn1 1689845906 CKQCKGFMZMFOCM-HNNXBMFYSA-N 438.457 4.541 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1689884315 QSVUUUGUJGPLGH-IBGZPJMESA-N 426.008 4.713 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ncc(CC)s1 1689913303 LIAFDJMIIVGEIC-INIZCTEOSA-N 427.549 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C(CC)CC)N(C)C 1690062288 JUCBPRYGAHBNGL-FQEVSTJZSA-N 446.437 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1CC 1690236699 PUYSDYGSSIVQDM-HJNYFJLDSA-N 437.588 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(C#N)o1 1690258779 TUSQROPTJYBMGC-UHFFFAOYSA-N 426.318 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@H](c1ccsc1)N(C)C 1690260440 LBAUGYCABAESIP-HXUWFJFHSA-N 425.602 4.721 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCC[C@H](C)C2)CC1 1690398711 FHRIJZYOTLVLPP-PMACEKPBSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCCCO)CC1 1690404905 XIIDVACUIBKRLQ-UHFFFAOYSA-N 447.421 4.971 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690515045 DCIWPGFURGWLLY-CTNGQTDRSA-N 441.620 4.945 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCO[C@@H]1CCCC[C@H]1C 1690517045 XWZGMVILFJVCPL-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1OC)C1CC1 1690539633 HFKQKPULVXTKMA-APWZRJJASA-N 431.378 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(C)COCCO1 1690585480 MIUKDKHYUDLARJ-QFIPXVFZSA-N 444.988 4.797 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(C#N)o2)C1 1690690239 UMSQGCSYNDVTMJ-MRXNPFEDSA-N 444.322 4.546 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCSC[C@H]1C 1690736240 XPAPEJMUKCOEOY-CQSZACIVSA-N 439.448 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1cccc(C)n1 1705479872 PKDGNBJVDMOAFW-SFHVURJKSA-N 442.592 4.781 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1705483273 RCGCALLQCXACHR-ULQDDVLXSA-N 445.405 4.678 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCn2ccnc21 1705485649 MPSDWTJFZSVUHN-UNMCSNQZSA-N 446.599 4.602 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2CC(C)(C)C2)c1 1705508476 WRWAGXMBCYPAAI-UHFFFAOYSA-N 433.600 4.503 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nc(C)c(C)s1 1705616404 HDLYGFRZMLEUEB-UHFFFAOYSA-N 437.613 4.870 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C)C1 1705704666 XZYWHANJOOBNFZ-HLIPFELVSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1705715090 RPHHVTAVGFLEJL-UHFFFAOYSA-N 442.354 4.745 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](SC)C(C)(C)C)CC1 1705766184 PSKGOWUZQGCALR-HXUWFJFHSA-N 428.602 4.650 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2csc(C(C)(C)C)n2)CC1 1705781469 AMLLRSGVGXEADG-LJQANCHMSA-N 429.634 4.919 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1705784734 HFTLQPVIKRUOEG-VXKWHMMOSA-N 437.632 4.688 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1705796889 MGELWQYBWXRXAR-KRWDZBQOSA-N 441.366 4.994 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCC 1705834270 HOWXLXFGVAJYHC-QUCCMNQESA-N 432.012 4.958 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@H](C)N1CCC[C@H](C)C1 1705880715 NSKXFTYAVJQARH-SFTDATJTSA-N 425.621 4.884 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1706074680 CHTQAGAZGZCIAL-OALUTQOASA-N 446.640 4.815 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1cccs1)N(C)C 1706743048 BHAQVHMTYQJULY-KDOFPFPSSA-N 446.983 4.840 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)N(CC)CC 1722281748 VPLNKCJNEONVRG-ZWKOTPCHSA-N 436.629 4.565 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722326220 FXUREOZDZWYPTA-PMACEKPBSA-N 430.980 4.660 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC[C@H]1CCO[C@H](C)C1 1722401514 AQHQXVSICCVEOF-YADHBBJMSA-N 436.625 4.547 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC=C(C)C1 1722453159 WHGPXDDCBXIRPJ-UHFFFAOYSA-N 431.609 4.875 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@](C)(CC)C1 1722464216 YJKXNUDNBOKBEX-QFIPXVFZSA-N 430.643 4.572 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1722479014 DWHUSLMMCOYKKH-NQIIRXRSSA-N 428.378 4.859 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CCCS1 1722505497 NUDHQSKZOPCCFT-HSZRJFAPSA-N 446.617 4.659 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1cnn(C)c1C 1722520772 KISITFDFHUHESW-UHFFFAOYSA-N 449.784 4.615 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(OC)CC1 1722528505 HPKCETUCIVAHPR-RDGATRHJSA-N 426.605 4.808 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722534919 RZYPWQNODNETHR-MRXNPFEDSA-N 433.478 4.798 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC=C(COC)CC1 1722544230 GGMLNWYSLBWXLP-UHFFFAOYSA-N 440.931 4.653 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1722569564 FIWJBXKENVHMBZ-TZIWHRDSSA-N 428.552 4.748 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722609796 FTWQSIJGSDQYCC-UNMCSNQZSA-N 434.588 4.937 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722611461 XWIULNMYZKEUKU-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](c1ccco1)N(C)C 1722634721 QKMZFYPJAOIMSH-VQIMIIECSA-N 429.952 4.590 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCSC1 1722677100 UCZDWZNXKWSTQY-HXUWFJFHSA-N 440.588 4.979 30 10 IJEE C[C@@](O)(Cn1c(CC2CCCC2)nnc1N(CCC#N)CC1CC1)c1cccc(Cl)c1 1723972629 IFWVXFSOGVNALS-XMMPIXPASA-N 442.007 4.702 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)Cc2cccs2)C1 1729107234 CTYBCMSIHXVYHT-UYAOXDASSA-N 435.597 4.620 30 10 IJEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1740592756 GXFPYBJJPIJGGC-LJQANCHMSA-N 434.613 4.641 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCS1 1740658689 MPDZEIHBZCONAF-QFIPXVFZSA-N 436.625 4.513 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1740708935 GGATWMOUPDSXDF-XPNTWCBSSA-N 439.673 4.647 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1740721387 HIJRFEVGKAGYNN-KNQAVFIVSA-N 438.641 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCCC(C)(C)C 1740727518 OXFXNVXGTWRDMA-OAQYLSRUSA-N 432.410 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC(C)(C)C 1740757268 UFZNYJMIIUFCCL-UGKGYDQZSA-N 442.604 4.816 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)C[C@H]1CCCO1 1740789944 SWSGDFGNAVRLSP-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@@H](C)c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740815951 PRHRSHMXOZOHTQ-YTQUADARSA-N 445.995 4.999 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)cc1 1740848509 LDKFDUKROSGGTI-QGZVFWFLSA-N 433.394 4.783 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](OCC=C)C1 1740860021 URTALQGPLRBRHL-LJQANCHMSA-N 431.378 4.845 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740860317 ZSKCUOFZTMTPAH-MSOLQXFVSA-N 428.577 4.810 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(CC)[C@@H](C)C1 1740869092 AOYZXZKKMHXUEU-FQEVSTJZSA-N 435.572 4.614 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CCc1nc(C(F)(F)F)cs1 1740937078 AFBZWSUJVQNJTL-UHFFFAOYSA-N 437.491 4.702 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCc2cccnc21 1740940115 UMIBZOWQWGOVGH-IBGZPJMESA-N 437.975 4.752 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccoc2)C1 1740985286 PEUPGMLOUXDFOS-KRWDZBQOSA-N 449.338 4.587 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2cccs2)cc1C 1742250596 CEYWREYPOCIZPZ-DEOSSOPVSA-N 448.596 4.582 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](OCC)C1 1748702434 HNJYNDFMQLXSHD-LJQANCHMSA-N 445.405 4.825 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCN1CCC[C@@H](C)C1 1748775838 XVOJRZMXPYRZRU-VQTJNVASSA-N 439.673 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCN(CC)C1 1749170821 KDDKWIIYRPUFRB-SFHVURJKSA-N 434.053 4.968 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1749330935 SCPDTNCYPDZAHF-OALUTQOASA-N 444.023 4.500 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@](C)(O)C(C)C)CC1 1749331629 RAJUTPFAKCSIFP-XDHUDOTRSA-N 428.646 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1749369019 WMJGJTIRLWHYHG-KDURUIRLSA-N 445.652 4.772 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOCC2(CCC2)C1 1749412670 OVRJNMVZIPEFCZ-HXUWFJFHSA-N 440.588 4.790 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCOCC2(CCC2)C1)C(C)C 1749556884 BKZITHGKWITKNF-QHCPKHFHSA-N 441.664 4.641 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](C)C1)C(C)C 1749558761 YCJMWYDTBQXDJL-URXFXBBRSA-N 436.648 4.974 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(SC)CC2)C1 1749718964 KWTDVBKJJZAGTH-SFHVURJKSA-N 430.643 4.556 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2CCCc2cccc(C)n2)cc1 1751581340 AVGQLZAZIVVBPY-HXUWFJFHSA-N 434.613 4.953 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760139867 RMVVGAPYKOQXDT-SANMLTNESA-N 433.600 4.795 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(CC)CC1CCC1 1760275840 KKBZSTRMZPUUSN-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1sccc1Br 1760291441 OTLFXGBLYAHFHY-LJQANCHMSA-N 431.359 4.711 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1760382678 WIJQSIDHSDINRK-BSRJHKFKSA-N 430.980 4.779 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](c1ccco1)N1CCCCC1 1760467127 SWLOGKOZBOCTQL-QHCPKHFHSA-N 449.599 4.916 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(SC)CCC1 1760497912 XNXMOMQKNKZUFN-SFHVURJKSA-N 447.649 4.814 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCN1c2ccccc2C[C@H]1C 1760498428 QYJPNPCGQYZQJH-HXUWFJFHSA-N 433.600 4.855 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1760513793 DIDYWJWBIZQXLJ-VLCRHTCISA-N 426.605 4.706 30 10 IJEE CSc1ccc(CCn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)cc1 1771421040 CPMQSTDDLXFQCU-UHFFFAOYSA-N 432.597 4.743 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2OCC[C@H]2C)CC1 1772554819 QJKFCHXKNDGCPA-DNVCBOLYSA-N 431.378 4.535 30 10 IJEE C=CCOc1ccccc1C=NN=C1NC(=O)[C@H](Cc2ccc(Cl)cc2Cl)S1 1772742307 LGFDDKVCZDRWRL-SFHVURJKSA-N 434.348 4.722 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(C(C)=O)cc2)ccc1OCc1ccccc1 1860728874 VLKYZPWVAURRRT-RIYZIHGNSA-N 429.472 4.698 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccnc2)cc1 1862413863 MLRXHCWZPZYAHL-QFIPXVFZSA-N 434.442 4.701 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc2c(c1)CCCN2C 1862422006 USPCNXGHAOLWOU-FPTDNZKUSA-N 440.490 4.724 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(Cl)c2)c1 1862490796 DPTPCLKHAADUFB-NRFANRHFSA-N 427.928 4.960 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(O)cc2)cc1 1862529485 GZFUMMWVPWGIJK-HSZRJFAPSA-N 431.463 4.872 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccccc2Cl)cc1 1862535778 KILYJSHQDBOLIN-NRFANRHFSA-N 427.928 4.643 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2F)c1 1862596573 VDTSVVZDGHZXGS-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(C)c1 1862604970 JQTPLLMMZJTUDW-HSZRJFAPSA-N 435.520 4.925 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(O)c1 1862660979 ALFADDILJKUBAV-QHCPKHFHSA-N 437.536 4.909 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1O 1862677213 BFGXIZFUXCNHDU-JPEVHGAISA-N 439.483 4.697 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868401311 VYEYBGLFOMPRBQ-QFIPXVFZSA-N 430.531 4.677 30 10 IJEE COc1ccc(N(C)c2cc(Nc3ccc(C#N)cc3)nc(-c3cccnc3)n2)cc1OC 1868575208 DIPLERIQCDFYEH-UHFFFAOYSA-N 438.491 4.939 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(C)C 1868717722 GULRLLPEXAUOFZ-NOZRDPDXSA-N 440.534 4.828 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)c1ccc(Cl)s1 1870153504 WVHNBZIMVJPTMV-UHFFFAOYSA-N 432.214 4.778 30 10 IJEE CCSCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccc(OC)cc1 1870233639 ZPZJVUPIDUNOEV-UHFFFAOYSA-N 434.561 4.803 30 10 IJEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CN(CC)CCc1ccncc1 1870687943 ISLICXDARMLOCA-UHFFFAOYSA-N 431.580 4.506 30 10 IJEE C=CCOc1cn(CCCOC)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870810935 YWWIZHNBBUHFKN-UHFFFAOYSA-N 434.536 4.641 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1871010809 UANKMLZPKGRXAK-UHFFFAOYSA-N 430.548 4.827 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1cccc(Cl)c1 1871015307 APSAPLIYUABNBD-UHFFFAOYSA-N 433.980 4.599 30 10 IJEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 1871349414 SMRCLMCMUVXWDG-JJFYIABZSA-N 427.435 4.670 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(-c4ccccc4)cc1)O3)CN(C[C@H](C)O)CO2 1871349801 UUXDMRBLWRYYTK-DNNAEVNTSA-N 427.500 4.811 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871428898 ZQZCNEWEMUQKBJ-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)ccc3C2=O)cc1 1871434788 XRRWTBBABXOXRC-NYAPKIOYSA-N 445.427 4.965 30 10 IJEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871437795 CLCBZGXLDXFEFO-UCQKPKSFSA-N 434.536 4.505 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1Cl 1871453136 INMHJBXHFYROPE-JMIUGGIZSA-N 439.851 4.884 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872268866 ZUNDIMVRWLPUCP-WMZHIEFXSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872542028 LOFFTOJREFSVMW-FQEVSTJZSA-N 444.597 4.523 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773527 PWTVPAQZMSBLCQ-AWEZNQCLSA-N 441.852 4.633 30 10 IJEE CC(C)CN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 1872775961 FKJRMOKKARVEAY-IBGZPJMESA-N 447.491 4.691 30 10 IJEE N#Cc1cccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3ccco3)C2=O)c1 1873285057 KSUQGTLFTVOSTF-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC(C)C)=C(c2cc(F)cc(F)c2)C1=O 1873315962 QXFAHJLFKMTLQW-UHFFFAOYSA-N 426.463 4.686 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(=O)OCCCC)=C(c2cc(C)ccc2C)C1=O 1873396486 KFRUKHUZPOYLAP-UHFFFAOYSA-N 432.520 4.638 30 10 IJEE C(=N/n1c(Cc2cccs2)nnc1SCc1ccccc1)\c1ccc2c(c1)OCCO2 1874412597 QYHKEDWRACMDRV-BUVRLJJBSA-N 448.573 4.876 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874451159 SPANQNHGJGARNT-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE Oc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 1874451771 OIUMXSNMHPRDSV-TYLRVVQJSA-N 432.908 4.802 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)c1 1874516527 BSBNCXARTNJFPZ-LGJNPRDNSA-N 444.564 4.867 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(F)cc1F 1874519106 BNKWXBQOTRQAKG-OPEKNORGSA-N 441.507 4.664 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(F)cccc2Cl)cc1 1874530462 KORSETMVEWWJMS-FOKLQQMPSA-N 431.924 4.554 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)c(OC)c1 1874599130 WNZJXQZEBBDVQY-NTEUORMPSA-N 431.488 4.926 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)C(F)(F)F 1874700250 IPWSMNWYNQQGTE-BQYQJAHWSA-N 429.188 4.822 30 10 IJEE COc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccccc3)c2)c([N+](=O)[O-])cc1OC 1874700499 WTZNYMCMEBUKGP-VAWYXSNFSA-N 433.416 4.727 30 10 IJEE COCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1875080845 VFCROUHCYPZYCN-NTEUORMPSA-N 432.472 4.819 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)COCc1ccccc1 1875095095 YFXXSSXGYSARLJ-ZRDIBKRKSA-N 447.443 4.622 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(CCC#N)CC1 1901481222 AYSSPDQKZNAINU-VWLOTQADSA-N 445.563 4.846 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1Br 1963806191 PBJCSAQPGXZNIM-HNNXBMFYSA-N 431.758 4.578 30 10 IJEE CC[C@H]1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1975987052 YKCWIKXGVBXOCX-IFXJQAMLSA-N 435.487 4.858 30 10 IJEE CC[C@@H](c1ccc(OC)c(C)c1)n1nc(C(F)(F)F)c(C#N)c1I 2080011911 HQHBMHCSAOZJCX-LBPRGKRZSA-N 449.214 4.695 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 2159126172 RZITYPYNVNSRHR-SJORKVTESA-N 441.414 4.574 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2N1Cc1ccc(Br)cc1C#N 2174596470 GYOIYYWKJUMUGP-ZOCIIQOWSA-N 434.378 4.588 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)cc1 2268646256 XYZLUVPJASCLIQ-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE C=CC[C@@]1(COc2nnc(Br)c(C)c2C)CCCN(C(=O)OC(C)(C)C)C1 2287855497 VKAANNIJNRUKAY-HXUWFJFHSA-N 440.382 4.828 30 10 IJEE C=CCCC1(C(=O)NCc2ccc(Br)c(C)c2)CN(C(=O)OC(C)(C)C)C1 2289478388 ROONCQOGPJEYDT-UHFFFAOYSA-N 437.378 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCCC(=O)Nc2ccc(Br)c(C#N)c2)C1 2296100303 CHKPTFHQMYEYPU-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CC(=O)c1ccc(NC=C2C(=O)c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)cc1 2297334953 HAHCNDNXZWRIFM-UHFFFAOYSA-N 446.528 4.684 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2306524087 BCCPYRDGOSRYIR-JWQCQUIFSA-N 428.573 4.699 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1N=Cc1ccccc1OC(C)C 2320875243 COZFHFJWJZKKIY-UHFFFAOYSA-N 443.617 4.566 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)N(CCC)CCC)nnc2C2CC2)c1 2320879198 IMBFVXZHGVUMCT-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 2321244971 HNAXQEIDZYHNAS-UXHICEINSA-N 445.560 4.655 30 10 IJEE COc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1ccccc1Cl 2321903788 NYZBJLWWOOGWMI-UHFFFAOYSA-N 440.912 4.950 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Cl)cc1)C3=O 2322170658 IVHQMGRYPBBHNZ-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE O=c1c(Cl)c(NN=Cc2c(O)ccc3ccccc23)cnn1-c1ccc(Cl)cc1 2322609689 INQBKFZDCZEETM-UHFFFAOYSA-N 425.275 4.844 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1OC 2323068459 ZUWBCIUZDIVYSM-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323069077 PMMLQEOYJZYOLT-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)COc3ccccc3OC)c2C)C1=O 2323120220 IPDANOAPYLUDOQ-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE COC(=O)COc1c(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2324561400 BDNSGKHNNJCRMJ-UHFFFAOYSA-N 447.325 4.831 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2cccc(Cl)c2Cl)cc1 2326783718 DPBKYEOIEYICFR-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1Cl 2327860981 DTFXRGPKSWEBAJ-INIZCTEOSA-N 431.993 4.596 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc[nH]1 2328666775 WUVKASPHVYJEBE-UHFFFAOYSA-N 431.565 4.883 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2330480067 HLGXDWCXEBHNHG-RUZDIDTESA-N 430.592 4.925 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cnccn3)c(OC)c2)cc1C 2330854809 CGKWRFPURQITQB-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 2331503743 CDGHDBWIRHUJLK-UHFFFAOYSA-N 436.541 4.694 30 10 IJEE CC1(C)[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C[C@@H]1OCc1ccccc1 2339297698 MYRHCMRKRGVFJC-GOTSBHOMSA-N 432.373 4.653 30 10 IJEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN(Cc2ccccc2)C1 2339587724 YNSBMGTZRIUKLG-QHCPKHFHSA-N 433.405 4.827 30 10 IJEE N#Cc1ccc(NCCC23CC(I)(C2)C3)c(F)c1Br 2353104956 YDMVZRYXRBKUBP-UHFFFAOYSA-N 435.078 4.620 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)CC1 2362583201 TYCFTNQURIFLHJ-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1 2365063220 WLAWVKNBOCONQI-XUZZJYLKSA-N 447.432 4.718 30 10 IJEE CC1(C)OB(c2ccc(COc3ccc(Br)cc3F)c(F)c2)OC1(C)C 2369093954 CQNNQCRSJIAYQO-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1nc2sc(C)c(CC)c2c(=O)n1-c1ccc(C)c(C)c1 17000527 KRHWKTITINWYBT-MRXNPFEDSA-N 441.622 4.718 30 10 IJEE COc1ccccc1/N=C(/NC(=O)c1ccccc1)N1CCN(c2cc(C)ccc2C)CC1 32946325 VGDZAXHNMAROBN-UHFFFAOYSA-N 442.563 4.552 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccccc2F)Nc2ccc(F)c(Cl)c2)c(C)n1 32973032 CTPKDWFYJAXWSH-UHFFFAOYSA-N 445.901 4.931 30 10 IJEE Cc1cc(C)cc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2ccc(C)cc2C)c1 32973567 HPHMZYICQXDRFQ-UHFFFAOYSA-N 431.584 4.711 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 41285268 JGYQUAUADOLMPL-HAHDFKILSA-N 429.472 4.905 30 10 IJEE C[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)Nc1ccc2ccccc2c1 59049242 JAQWTJUKFQSRFQ-OAHLLOKOSA-N 426.501 4.993 30 10 IJEE C=CCn1nc(SCC(=O)Nc2ccc(C)cc2)nc1-c1ccc(Br)cc1 72261391 HXIIAWMJPYKAGY-UHFFFAOYSA-N 443.370 4.933 30 10 IJEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)sc1C 102536076 TVGDWDDPHYHZSH-VZCCSQPZSA-N 440.908 4.745 30 10 IJEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N[C@@H](C#N)c1ccc(F)cc1F 111028862 LNUSMGITHAPYPM-CZQLGGELSA-N 440.881 4.874 30 10 IJEE C=CCn1c(Cc2csc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)n2)n[nH]c1=S 117404910 GYRAYJGOHFGGRA-UHFFFAOYSA-N 445.618 4.501 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169987806 VKPDDNWTEPLXSH-GOSISDBHSA-N 442.399 4.717 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccccn2)c1 169994045 KZANZGZUIBAVCN-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccncc2)c1 170014709 AIFCLTAZGZRBJF-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)cc1 170058966 YDTWZFJBVAJWNC-QHCPKHFHSA-N 432.907 4.833 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2sccc2C)cc1 170105663 BCOPDEQLBNKDCX-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2OC)cc1C 170126209 GFDJQYBUAORYNT-QHCPKHFHSA-N 435.520 4.842 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1C 170132133 ZFABROIHVABMKJ-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)c1 170160506 IBDKIZVDBOXJIJ-FPTDNZKUSA-N 447.512 4.868 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)c1 170161817 SCPLGESKMBLLPQ-WIYYLYMNSA-N 441.549 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1OC 170163794 AYVWBJJSHFGYGO-HXUWFJFHSA-N 427.522 4.676 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)ccc1OCC(C)C 170178092 WDENODKRRONOQZ-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2cccnc2)cc1 170190779 FEVUIJLJVHGSCO-XMMPIXPASA-N 431.451 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170197400 YLYHIJIVIWNKCF-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccncc1 170206186 QDPYUFWQWGEFGO-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)c(OC)c1 170285580 REKSAZAHDCBSKO-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccco2)cc1Cl 170286227 MBQPWBWMSWXXBL-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)c(OC)c1 170297032 YFCRAEKYCDMLBB-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE Cc1ccc(N2CCN(N=CC3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)CC2)cc1 254515860 AOUPAYSHMQFYPR-SQJHKAHSSA-N 442.607 4.567 30 10 IJEE COc1ccc(C=NN=C2SCC(=O)N2c2cc(C(F)(F)F)ccc2Cl)cc1 254623368 KWUSDUZFLZMBTP-UHFFFAOYSA-N 427.835 4.837 30 10 IJEE Cc1ccc(-c2nnc(CN(Cc3ccc(C#N)cc3)c3ccc4nc(O)[nH]c4c3)o2)cc1 440724552 COLLTUSGXHMDOX-UHFFFAOYSA-N 436.475 4.705 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2-n2cccn2)cc1 470782847 DMHWTXXUETVHHN-IBGZPJMESA-N 429.524 4.569 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 497391655 QMBXYFXEYYWYDM-UHFFFAOYSA-N 441.535 4.527 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 515435340 GZWKFRHOFCWCGS-FQEVSTJZSA-N 429.524 4.685 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)cc2)cc1OC 526515179 IAGVWKRWVXIFNU-XMMPIXPASA-N 426.472 4.941 30 10 IJEE Cc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 549316545 LMCLKIZNQDQGIV-IBGZPJMESA-N 442.445 4.820 30 10 IJEE Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(N3CCCC3)cc2)cc1 586201174 CFOFUCHWNOSXPR-UHFFFAOYSA-N 431.561 4.862 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 586215671 AOHXXDWWXUJCAJ-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 589741203 VRJQWZHRIDYLPH-UHFFFAOYSA-N 437.584 4.534 30 10 IJEE C=CCN(C(=O)CSc1ccc2c3c(cccc13)CC2)c1nc(C(=O)OCC)cs1 604533646 AURKMCVQXQFAQX-UHFFFAOYSA-N 438.574 4.883 30 10 IJEE C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1 685532695 LQFVPUORKLWEHG-SANMLTNESA-N 430.552 4.717 30 10 IJEE C=CCC1([C@@H](Cc2ccc(Br)cn2)NCCC)CN(C(=O)OC(C)(C)C)C1 722937482 DPXUBCGUVANHAG-GOSISDBHSA-N 438.410 4.568 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@H](CC(F)(F)F)C2)c1=S 766121566 WHMJMCHVOULSIY-MRXNPFEDSA-N 426.508 4.719 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 790280162 HODCGPKPNYDSEV-FQEVSTJZSA-N 436.512 4.624 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 801637514 FSHJVKYKDLHBRI-IBGZPJMESA-N 425.357 4.849 30 10 IJEE C[C@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 811417947 DLGUIIHIHHBWKN-QMMMGPOBSA-N 444.381 4.589 30 10 IJEE Nn1c(NN=C(c2ccccc2)c2cccs2)nnc1SCc1ccc(Cl)cc1 1084087022 IKSFZZKUIMLXDS-UHFFFAOYSA-N 440.985 4.864 30 10 IJEE O=C(CCSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1ccc(Cl)cc1 1084358153 NHEZKBUUGHTBBL-AQCPKKMNSA-N 426.933 4.690 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc(C(F)F)c2F)c(C(=O)OCC)c1C 1124756057 BGPMABYXXJLURP-UHFFFAOYSA-N 441.427 4.905 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCN(Cc4ccccc4)C3)c2)cc1 1125198853 FFRLHDVZUBUGGC-DEOSSOPVSA-N 425.532 4.792 30 10 IJEE C=CCOc1cccc(NC(=O)c2cccn2-c2cccc(I)c2)c1 1125423106 YBZVPEZBKHOVJW-UHFFFAOYSA-N 444.272 4.899 30 10 IJEE C#CCCOc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2C)cc1 1125585131 GLUSLPSOMZEIJO-AREMUKBSSA-N 438.527 4.997 30 10 IJEE CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cccc(OCc2ccccc2C#N)c1 1127093883 FMSVKLNYGBLKBG-VWLOTQADSA-N 442.515 4.904 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCc1cn2ccccc2n1)c1ccc(Cl)cc1F 1129735357 MGLGRXYIZULWCX-NRFANRHFSA-N 433.870 4.810 30 10 IJEE C=C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC)c1ccccc1 1131131624 OOIUTRWTZPPPEI-HSZRJFAPSA-N 449.528 4.531 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 1135448450 HHUPWHPTLMLWMB-QFIPXVFZSA-N 438.571 4.912 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 1141889809 DDUOQJCGCPQCSP-GOSISDBHSA-N 441.494 4.753 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1c[nH]c2c(C)cc(F)cc2c1=O 1141986555 IYLQHNLOIGDFOS-UHFFFAOYSA-N 431.261 4.555 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)COc1ccccc1C(F)(F)F 1142303405 JGMDJPWGAQLNLZ-MRXNPFEDSA-N 445.441 4.653 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CSc1nccn1-c1cccc(C)c1C 1157543534 UDTNRYCXHFXHDK-UHFFFAOYSA-N 437.613 4.964 30 10 IJEE C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)Cc1ccc(OC)cc1 1190458131 XJMVZGJALFMNEP-UHFFFAOYSA-N 443.547 4.883 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)CNC1(c2ccc(Br)cc2)CCCC1 1192080080 GKBVVNYDMGUUJN-UHFFFAOYSA-N 432.749 4.972 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1198691960 OGVVCBZPWADXDO-SFHVURJKSA-N 448.350 4.985 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cc(Cl)ccc2N2CCOCC2)cc1OC 1202176030 IFBWYAARBGODPD-UHFFFAOYSA-N 437.367 4.693 30 10 IJEE N#Cc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1Cl 1211645735 CBPITODDRPJERR-UHFFFAOYSA-N 425.337 4.522 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 1214729521 WOTPIIILSRAUTH-UHFFFAOYSA-N 435.430 4.551 30 10 IJEE Cn1cc(CNC(=O)NCc2ccc(-c3cccs3)cc2)c(-c2ccc(C#N)cc2)n1 1226082277 IDNYBEQDISBFKP-UHFFFAOYSA-N 427.533 4.687 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1)c1ccc(F)c(F)c1 1226646551 BHUXKNGXDGZZAQ-QHCPKHFHSA-N 426.463 4.852 30 10 IJEE O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)N1CCC[C@@H](OCC(F)(F)F)C1 1234335406 BKDPLGFVYJBSHV-OAHLLOKOSA-N 442.375 4.629 30 10 IJEE C#Cc1cccc(N(C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)C(C)C)c1 1264942751 FJEOTQOXWKVWJM-FQEVSTJZSA-N 438.593 4.595 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c(OC)c1 1273572847 KULCELNAKGKNPV-LJQANCHMSA-N 444.369 4.656 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(CC)C[C@@H](C)CC 1286498826 MRFFYTQHEZTZDU-INIZCTEOSA-N 435.435 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1c(C)noc1C 1286518774 JSRSIFQGPGAMDC-CJFMBICVSA-N 433.556 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC[C@H]1CCO[C@@H](C)C1 1286528642 JEFYUGAKTLMZHR-ISJBWFOZSA-N 436.600 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1286559446 WPQKOSQTAPZCIU-FPGHNAPASA-N 435.547 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1nccc(C(F)F)n1 1286567230 KYUZTQZRJRAWGM-GOSISDBHSA-N 426.515 4.998 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286569726 XFKKBZFTHQXEDK-GOSISDBHSA-N 443.592 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1OC 1286583144 JNBLQPQTUAVMIB-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1286587276 DMBAANJHKNLQCJ-UHFFFAOYSA-N 449.580 4.780 30 10 IJEE C=C(Cn1c(C2CC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1286616790 CQPIBFBEGLZXGF-UHFFFAOYSA-N 437.588 4.705 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC2CCN(CC)CC2)CC1 1286648363 OHKKTABVUIUGTA-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1286655558 RPGMDQMNRQMGIB-QHCPKHFHSA-N 425.596 4.997 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1286657078 SHMAEQUERHMOAV-NEWSRXKRSA-N 444.542 4.773 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1286690527 LMJMJYRDOOWYFY-MOPGFXCFSA-N 427.618 4.785 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccccc1F 1286707588 HAUSBYPVZYBYOT-INIZCTEOSA-N 429.927 4.923 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1287739549 ACEKTQUIRGNCMB-DHLKQENFSA-N 426.653 4.509 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCC1(O)CCC1 1289275342 AQVHKMXYKBUCHU-ZWKOTPCHSA-N 445.995 4.732 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1290123369 BJYCGKHXBPESDP-UZINWLIJSA-N 434.632 4.752 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1291081628 DVEPGCHMFKIVEQ-AKCHCHLHSA-N 432.341 4.586 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1csc(CCc2ccccc2)n1 1294538612 IHHZUJMPBYGFHS-UHFFFAOYSA-N 444.560 4.609 30 10 IJEE Cc1c(C(=O)NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)sc2ccc(C#N)cc12 1294884695 HUHUDENYUGRVQJ-MRXNPFEDSA-N 448.466 4.561 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(COC)cc1 1300283789 OYDJPMNYULBIPI-QZTJIDSGSA-N 434.609 4.784 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1300325423 ZKVUSOAUOBFDLN-LEWJYISDSA-N 439.673 4.847 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1300383499 APZVYLMCHKVIGK-BJKOFHAPSA-N 449.643 4.761 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(OC)C1CC1 1300521259 NGVDJUWDZVGSTE-VWLOTQADSA-N 448.567 4.701 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCc1csc(-c2ccccc2)n1 1300633600 LQJIVXDXHXFXTP-UHFFFAOYSA-N 433.606 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 1300888152 IGIPDRQHYACCOU-RRPUWOKSSA-N 445.007 4.509 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1C 1300994054 LRRRVHVUAXZACZ-SFHVURJKSA-N 425.602 4.732 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCC[C@@H](C)C2)CC1 1301112379 SXYIYTGKDHKKNI-GOSISDBHSA-N 445.558 4.681 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](COC)C1 1301240560 BXYBDQWDIMWJFW-RBUKOAKNSA-N 444.645 4.587 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(Cl)nc1)C1CC1 1301317728 ZWPNAINMSGCYQN-UHFFFAOYSA-N 431.874 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCCc1nnc(C)s1 1301339256 KLBPXCYZYIQSIT-UHFFFAOYSA-N 447.612 4.793 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1301611040 DKKCSWOXGDLBBP-UHFFFAOYSA-N 432.659 4.947 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(Cc1ccco1)C(C)C 1301612269 WRKQFAJGDFSFKC-OAQYLSRUSA-N 440.569 4.718 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2cccc(F)c2)s1 1305291016 BJNCDAGQQLNKQG-AWEZNQCLSA-N 425.913 4.924 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1)c1ccc(F)cc1 1310192806 ZPGOMALPQRZLBA-NRFANRHFSA-N 428.939 4.507 30 10 IJEE C=CCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CCOCC1 1348623558 HDTWUXOVRRMAKC-QHCPKHFHSA-N 431.580 4.855 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)cc1 1351101567 DRDIIQMKAWVDLR-UHFFFAOYSA-N 432.320 4.772 30 10 IJEE C=C[C@@H](CC(=O)N[C@H](C(=O)OCC)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 1352806343 RYOWUQUKTOEXHO-DFBJGRDBSA-N 449.526 4.709 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 1353183062 BODDFDBCOWRPTR-OAHLLOKOSA-N 438.480 4.862 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)Cc2ccccc2C)c(C(=O)OCC)c1C 1353746418 MPLXTRMIVLVROK-HNNXBMFYSA-N 429.538 4.702 30 10 IJEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1sc(-c2ccccc2)cc1C#N 1354573311 ANNOBAACEZBLBV-QGZVFWFLSA-N 443.594 4.968 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)CCCN1C(=O)OC(C)(C)C 1357426654 ZMUUYYBVQQDUGR-VWLOTQADSA-N 435.524 4.914 30 10 IJEE C=CCOc1ccc(CC(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)cc1 1357809655 XDLRKXQZMRQKLP-VWLOTQADSA-N 444.506 4.920 30 10 IJEE C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1358253113 BWSKLHGTILUJSB-GOSISDBHSA-N 428.488 4.617 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnc(C)s1 1358921433 XSQDJNTWAGBRGY-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cscc1C 1358985696 FKSJJNVJULJQHY-GOSISDBHSA-N 438.984 4.953 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)C[C@H]1CC 1359062220 ZNRCMDYSIKKNOC-ZWKOTPCHSA-N 430.643 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1359096794 HEZNRYMBBSXPIE-NZQKXSOJSA-N 440.588 4.571 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)c1nccs1 1359209731 XOLBGSCKGBUFEK-AWEZNQCLSA-N 449.422 4.709 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(CC)C1 1359223690 SYIVHTBNGQLBRW-RUZDIDTESA-N 426.605 4.841 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359231244 RDMRTAATGJNZDH-IYWMVGAKSA-N 428.577 4.643 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCCn1ccnc1C 1359234718 YIJSAIZRCSCQLQ-UHFFFAOYSA-N 443.393 4.624 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC1(OC)CCCC1 1359255668 GKLJNFPPWHLNNP-UHFFFAOYSA-N 431.540 4.870 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccn1 1359260064 RMVCZKBOEOEFOT-UHFFFAOYSA-N 448.933 4.963 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCN1c2ccccc2C[C@H]1C 1359268833 FBKDOOYCISNEFR-GOSISDBHSA-N 434.975 4.623 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)c1 1435010130 ZMXXZBKDVCYWNX-UHFFFAOYSA-N 441.487 4.526 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F)cc1 1436239653 QRNZVALFAJSUFT-ROUUACIJSA-N 438.446 4.792 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 1442178442 RSTGYRXEIDYBAT-UHFFFAOYSA-N 436.533 4.921 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)C(C)C 1443432573 XCKFNPZIZOXXTA-NRFANRHFSA-N 440.588 4.963 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 1452935509 IAOYTGIOHNOUSM-UHFFFAOYSA-N 440.609 4.983 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1455812554 WXOLPGCXFQEEEM-BJKOFHAPSA-N 432.564 4.805 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCCCN(C)C(=O)OC(C)(C)C 1458829785 ZSIPGMZNQRARQN-UHFFFAOYSA-N 436.553 4.531 30 10 IJEE C#C[C@@H](NC(=O)c1c(-c2ccc(Br)cc2)noc1CC)c1ccc(F)cc1 1460788668 LTDCIEKKZFUORC-QGZVFWFLSA-N 427.273 4.910 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cc2n1 1462999506 TZLYCLPCCBQUEW-UHFFFAOYSA-N 444.466 4.631 30 10 IJEE C[C@H](CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 1465212097 DMKVGAOLYKPBMO-KOSHJBKYSA-N 447.560 4.671 30 10 IJEE CCCN(C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC)[C@@H]1C[C@H](OCC)C12CCCC2 1466880596 HGCKBAKGWOXFCO-MOPGFXCFSA-N 444.576 4.538 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OC 1470039159 SUDBCWUJYMPOJA-POHAHGRESA-N 445.441 4.827 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](COC)c1cccc(Br)c1 1471139337 ANVLFSFGKNVTHM-FQEVSTJZSA-N 449.393 4.702 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1ccc(Br)cc1 1472573187 ZVYNVAFUOOQQDU-CQSZACIVSA-N 443.522 4.675 30 10 IJEE CC[C@@H](c1ccc(Br)cc1)N1CCN(c2nc(Cl)c(C#N)s2)CC1 1472689283 GUMTYARAIVXBSE-AWEZNQCLSA-N 425.783 4.704 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCCc3cc(OC)ccc32)cc1 1476041777 NXTWJXHQZUZZLW-NRFANRHFSA-N 433.552 4.751 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)c1 1476104365 RNXLMFUYADUBTA-PZJWPPBQSA-N 429.561 4.896 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(N(C)Cc2ccccc2)CCCCC1 1479219481 FHFWYAYGBPEQKX-UHFFFAOYSA-N 448.611 4.551 30 10 IJEE CS[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)C(C)(C)C 1505177896 CWXJDRWWFVEQFJ-XXBNENTESA-N 429.609 4.916 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507567396 PCSUNWLDZBAGJW-VQIMIIECSA-N 429.490 4.788 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCCC2)C1 1507571988 UDEXVYPEVZKNCR-FQEVSTJZSA-N 441.620 4.924 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507700346 QUUUPJABTVGZJZ-CEQLMSFQSA-N 436.531 4.829 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1507796427 HXGQZPNAXZOCSK-AUSIDOKSSA-N 442.629 4.619 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1507799715 XEVFQJJOITXXCW-IDVKNYFZSA-N 439.629 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)c1cc(C)oc1C 1507814637 BSUSJHJFACDZMV-XMMPIXPASA-N 444.526 4.667 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCC(=O)NC1CC1 1507815829 TWHDPJOJPPBXHK-QGZVFWFLSA-N 441.645 4.593 30 10 IJEE C=C(Cl)Cn1c(N(C)C/C(C)=C/c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 1507874210 HJMSSZNIJJXIET-PZSRYKBRSA-N 430.980 4.611 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C/C=C/CC)CC1 1507903128 JHRDQADTEYEKOX-NDDJGDGRSA-N 429.609 4.761 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1Br 1507917082 YFHTWAYLIWHVAU-KRWDZBQOSA-N 433.394 4.783 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1507958606 GLMZWKWCHDZDIC-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C(C)C 1508010966 IWYWMIYZTBCMEA-NHCUHLMSSA-N 445.677 4.791 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1508124338 OUTIOQPGINSYAX-VJANTYMQSA-N 442.526 4.670 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1508153014 FTGBZCCQKQQEME-UHFFFAOYSA-N 445.539 4.518 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCn2c3ccccc3c3ccccc32)cc1 1515903272 VTZPWGOGPFVWKI-UHFFFAOYSA-N 447.560 4.630 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)c1 1517116950 KLKBVKFIRORDFY-XSBVRRCZSA-N 441.358 4.928 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)CCCN1C(=O)OC(C)(C)C 1520065595 WZAXHEHSDROKLM-HSZRJFAPSA-N 446.498 4.650 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cccc4c(Br)cccc34)CC2)c(F)c1 1520096457 AOFWOXIDMWEOCX-UHFFFAOYSA-N 438.300 4.575 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OCCCC(=O)OC)cc1 1521234818 JAXXCRXBMGOSNH-UHFFFAOYSA-N 437.414 4.855 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 1522733294 DTIADJVIHCMEAD-SNVBAGLBSA-N 434.311 4.855 30 10 IJEE C=CCc1cc(CNC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1OC 1527042684 NOAIHTGZKBORTR-UHFFFAOYSA-N 426.513 4.933 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1 1527974969 LDWMJHQHTAQSGC-FQEVSTJZSA-N 449.304 4.683 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 1529105820 BZLYWESONCMXQY-UHFFFAOYSA-N 427.479 4.636 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 1535432943 JFEMTOAFIWUXGK-OAQYLSRUSA-N 443.341 4.706 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1ccc(F)c(F)c1 1537692059 IHRWEPYVAIVZMZ-KRWDZBQOSA-N 434.291 4.722 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)N(C)C1CC1 1538985899 FNUBUPXIFMNUAQ-IRXDYDNUSA-N 437.588 4.753 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC1CCN(Cc2cccs2)CC1 1539160964 GTMROTWTNCKSLH-UHFFFAOYSA-N 433.625 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)C[C@@H]1CC=CCC1 1539641246 DOPWYWRBEGQMCN-RQTOMXEWSA-N 436.600 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(C)(C)C)C1 1539643277 LVNCZTKGKNMMFA-HFMPRLQTSA-N 438.616 4.753 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@@H](C)C2)CC1 1539881848 LXOKYWUZWLJWDZ-HXUWFJFHSA-N 425.596 4.999 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCc2ccccc2C1)C(C)C 1540151006 BMUQQSJCKVSIAR-RUZDIDTESA-N 442.611 4.601 30 10 IJEE C=CCSCCn1c(N2C[C@@H](C)CC[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540922605 SWCXXDXCXGAQJC-CADBVGFASA-N 449.665 4.593 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)C1 1543596698 IECVXNZHSYZBRX-MBDNFAEBSA-N 434.632 4.667 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1 1543708261 FQYJIJPCSPIQDM-UHFFFAOYSA-N 428.275 4.518 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1 1544038241 FSQRWCQIWJNJRT-UHFFFAOYSA-N 434.605 4.919 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 1545207608 HJNYWNGBIXPTNG-RDPSFJRHSA-N 432.992 4.919 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1C#N 1556281131 AJCGKYKHQBQURO-LJQANCHMSA-N 448.514 4.604 30 10 IJEE C=CCN(CCC#N)C(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1556761186 QRBAJNAFNGBYOK-UHFFFAOYSA-N 443.547 4.576 30 10 IJEE C=CCC1(NC(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(S)nc3c2)CCCC1 1584635425 BHPQMIPADCGNHQ-UHFFFAOYSA-N 433.577 4.910 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N[C@H](C)CC 1587575647 ZIMXJMWISVNQGV-HUUCEWRRSA-N 444.004 4.576 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1nccs1 1587706883 UKLHUILTSMGPIZ-MRXNPFEDSA-N 429.977 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1sc(C)nc1C 1589642099 VDZNMRAJGZBGCH-UHFFFAOYSA-N 447.612 4.849 30 10 IJEE C=C(C)Cn1c(N2CC[C@@H](c3ccccc3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593682770 BNSAMFISXVHMRO-NJYVYQBISA-N 437.588 4.619 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1 1594128207 NVIVJYXNPFYGNV-IBGZPJMESA-N 446.542 4.870 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1594473248 NYDYEPCHXWXBCC-UHFFFAOYSA-N 435.616 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(C)C)CC1 1594477359 BLEYFEQIWQXASS-UHFFFAOYSA-N 429.996 4.505 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN1C1CCCCC1 1594857990 VMRRDMJTHQPXCZ-DENIHFKCSA-N 441.595 4.977 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@](C)(O)c1ccsc1)C1CC1 1595027007 VRNZOIQVUMBMON-MWTRTKDXSA-N 442.560 4.681 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1595037738 KDJDGAKRBNORSO-OAHLLOKOSA-N 437.544 4.526 30 10 IJEE C=CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCSC1(C)C)C1CC1 1595070782 MJKCSCCEYLCTPC-KRWDZBQOSA-N 428.602 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1595099634 FYQVMJPBZKCTJF-TZBSWOFLSA-N 435.572 4.542 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)C1 1595737571 CUVQXNJRHFNZBI-XMSQKQJNSA-N 445.007 4.913 30 10 IJEE CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCCCC2)nc1 1606899020 ADJLITFWPXTKNQ-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1611768658 AGBUHGQGGIGHLI-BBTUJRGHSA-N 432.494 4.688 30 10 IJEE C=C(CC)CN(Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC 1620627542 CDUPRLXLOLYDJM-YADHBBJMSA-N 430.589 4.644 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)cc1 1623891139 JTBATEUOLNZGQN-GHTZIAJQSA-N 428.330 4.673 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1624076088 HFKAKGYNTFOFML-HXUWFJFHSA-N 432.948 4.843 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 1626506061 RADSPLDYIRZBES-LEWJYISDSA-N 428.573 4.616 30 10 IJEE C=CCc1ccc(OCC(=O)NCCc2c(C(F)(F)F)[nH]c3ccccc23)c(OC)c1 1631837317 IHDLICGUBIBKIF-UHFFFAOYSA-N 432.442 4.662 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(Br)c(Br)[nH]1)c1ccc(F)c(F)c1 1633327105 HXOPLTYLCZAMMG-ZDUSSCGKSA-N 434.078 4.865 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)cc3)c2)cc1 1634135733 GEJOLXIRCZZATG-UHFFFAOYSA-N 447.560 4.632 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1 1639602294 CRORKMZDBUXCCH-SJORKVTESA-N 431.360 4.522 30 10 IJEE C=CC[C@H]1N(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCCC1(C)C 1639766802 YKZQZKSFRPOSKP-IQGLISFBSA-N 426.420 4.930 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 1640397348 MYKMJFLGKMACRI-JTSKRJEESA-N 430.545 4.800 30 10 IJEE C=CCCC1(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)CCCC1 1641357637 VEBKGYOSHNTWBR-NJDAHSKKSA-N 434.621 4.824 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 1641564834 FLKDUAYGMDXVEX-IBGZPJMESA-N 443.526 4.998 30 10 IJEE COCCN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1 1641695336 CDAUUASHAKLSRL-JOCHJYFZSA-N 446.378 4.677 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C)Cc1ccc(F)c(F)c1 1643873783 FZIYPERGONCTJZ-XMSQKQJNSA-N 442.934 4.924 30 10 IJEE C=CCOc1c(Br)cc(CNCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)cc1OC 1648927039 GJXVHPVOLUFYLQ-IRXDYDNUSA-N 439.438 4.869 30 10 IJEE C[C@H](c1nnc(Sc2nc(C#N)c(Cl)s2)n1-c1ccccc1)N1CCCCC1 1649809269 DXGJRKCZBAHJAO-CYBMUJFWSA-N 430.990 4.947 30 10 IJEE C#CCN(c1cc(O[C@@H](C)CC)nc(C)n1)[C@@H]1CCOc2ccc(Br)cc21 1650757709 ZHNVMJBOKVLPFP-KBXCAEBGSA-N 430.346 4.688 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nnc1-c1ccc(F)cc1 1651636078 RWNNUHHNKZAVCE-SFHVURJKSA-N 446.910 4.960 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)C1 1652065081 HZEOIOSFTYUFNU-CQSZACIVSA-N 433.961 4.749 30 10 IJEE COc1ccc(CCCN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1 1653199446 GEKALNARWFEHII-UHFFFAOYSA-N 436.600 4.994 30 10 IJEE C=C(CC)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccccc1Cl 1656013206 RQRHLXWHKFZKAS-UHFFFAOYSA-N 428.941 4.943 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)C(C)(C)C)nc2cc(-c3ccccc3)sc2c1=O 1656137453 LIOSRCOVYYRQLR-SFHVURJKSA-N 428.579 4.991 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1656340359 GDUCJLKEMYGLRI-GOSISDBHSA-N 444.601 4.782 30 10 IJEE C[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 1658157875 BSCJIVZBYURYCF-YJYMSZOUSA-N 428.355 4.828 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)c1ccc(F)cc1 1659309849 TVNOXXPDJMRAIM-HXUWFJFHSA-N 441.304 4.523 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)[C@@H]1CCCO1 1659480793 HJDLHLTXAQCJBF-AAEUAGOBSA-N 426.382 4.662 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccc(Br)cc1 1661201259 XBLJKCSSNGSSPV-HNNXBMFYSA-N 438.203 4.715 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1OCC 1663255687 LFLVJPLQXDMROL-XJKSGUPXSA-N 438.284 4.612 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)CCCCC1 1668945677 WJVOOCUIIPFOIF-UHFFFAOYSA-N 447.535 4.762 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1670826395 DTIMUVFZVVZSOF-PDOICOKGSA-N 427.511 4.510 30 10 IJEE COc1cc(NC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c(F)cc1C#N 1671933431 GQHCYJVNMRBNTO-KRWDZBQOSA-N 436.256 4.977 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1679251826 GOTJWNHRTIFQER-HRZAVBMWSA-N 428.573 4.663 30 10 IJEE C#C[C@@H](NC(=O)NC1(CCOCc2ccccc2)CC1)c1ccc(Br)cc1 1682356158 AZYZGNMWKUCKGN-HXUWFJFHSA-N 427.342 4.562 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 1683106931 PNDBSRPPDKHRLE-SFHVURJKSA-N 448.430 4.525 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2ccc(Oc3ccc(F)c(C)c3)cc2Cl)nn1 1683314871 ATCFHFHLMCHXLE-UHFFFAOYSA-N 443.910 4.699 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1687838071 DBEIERCODQNNHO-HXUWFJFHSA-N 445.604 4.820 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cccc(C)c1 1689835416 MDNFLGYTWYXMGH-RTBURBONSA-N 434.609 4.977 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)SC 1690033407 WXBHDWUIIFUXSY-QGZVFWFLSA-N 431.005 4.676 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1nccs1 1690089487 CCJYVPLWFALPHB-PXNSSMCTSA-N 439.560 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](CC(C)C)C1 1690248929 QVPSQKXZLVJWOG-LGVFNWMJSA-N 426.580 4.862 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)N(CC)CC)CC1 1690367405 NHQNGPQPXPFAFB-OAHLLOKOSA-N 438.439 4.656 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](NC(C)=O)C1 1690455882 PNPCDFOPBCALKU-PXNSSMCTSA-N 441.645 4.593 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690456710 KARVROSWQALMMA-IBGZPJMESA-N 431.462 4.617 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690500314 QZIMORAIAHDICT-NRFANRHFSA-N 440.979 4.538 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCC(=O)NC1CCCCC1 1690579583 OMDCVZAYTOSZNW-UHFFFAOYSA-N 443.661 4.960 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCN(c4cccs4)CC3)nnc2C(C)(C)C)cc1 1690681705 XWYUWDHVEAAYKC-UHFFFAOYSA-N 437.613 4.577 30 10 IJEE CC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1691192539 COBAJPRKYNENHX-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CCNc1ncc(Cl)cc1Cl 1705487417 XXJLOZJSRAGFNY-OAHLLOKOSA-N 429.355 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCC1(O)CCC1 1705590496 MWOIQARXJXKEMF-UHFFFAOYSA-N 438.984 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1Cc1ccsc1 1705671823 ZBMGOCMFXLXCBH-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1705697271 KWBXQHAGSLEBTC-QTZVNIFKSA-N 433.600 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705720027 UZVZHOHONRDGMD-NZQKXSOJSA-N 439.648 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccccn1 1705720472 AADCADBFLGZSNR-TZIWHRDSSA-N 425.621 4.972 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C)C1 1705731062 RKBAZUZKHUHWMA-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC(Nc2ccccc2Cl)CC1 1705751128 ARSTWCLJEUZFKD-UHFFFAOYSA-N 431.371 4.770 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)Sc2ccccc2)CC1 1705785472 JLNRDCBQIRGDSZ-VCOUNFBDSA-N 442.629 4.585 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1705863556 XFTYOZVMQMZKES-QGZVFWFLSA-N 445.583 4.821 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1)C(C)C 1705867391 NBKWPAADXKIOFO-SQHAQQRYSA-N 449.643 4.651 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N1CCCCC1)C(C)C 1709937924 DMWBAXCQFJVGFP-JOCHJYFZSA-N 432.572 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(C=C)cc1 1722301184 AJBKOZBZPURGCJ-UGKGYDQZSA-N 449.599 4.694 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722329005 AXARLEJIQJWNHI-FGZHOGPDSA-N 437.632 4.702 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCCCO 1722470591 VRCPWTHMHLSJAZ-HOYKHHGWSA-N 426.630 4.676 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC=CCC1 1722489243 HMZPVWGMUKATLA-UHFFFAOYSA-N 431.378 4.964 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@](C)(CC)C1 1722491112 HTKXULFOWASIBK-QTZVNIFKSA-N 438.616 4.807 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722531933 WTKRPMQJTKIIEE-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722555940 IDSDDWCOGBHNNZ-YJBOKZPZSA-N 445.753 4.769 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C(CC)CC)N(C)C)CC1 1722575731 UDLKXAHZHOUUPY-HSZRJFAPSA-N 425.621 4.723 30 10 IJEE C=CCCCn1c(N(C)Cc2ccc(C(F)(F)F)cc2)nnc1[C@@]1(OCC)CCOC1 1722621934 CVDHITXKEAZDNZ-OAQYLSRUSA-N 438.494 4.552 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C2CC2)C1 1722623203 YOSWRAYSCNWPMH-GOSISDBHSA-N 431.378 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)N1CCCCC1 1722633050 NJANYENSMSKKKP-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1c(C)oc2ccccc12 1722660980 ODRCZONPTSFKNE-UHFFFAOYSA-N 449.580 4.773 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722674328 BLKCGTKDESOUNR-RLWLMLJZSA-N 448.615 4.679 30 10 IJEE C=CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1722684886 WRTQCEJLMZVYHG-UHFFFAOYSA-N 448.880 4.525 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1)C1CCC1 1729351385 IFGLRMGUBFLBAQ-UHFFFAOYSA-N 432.475 4.523 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2C)C1 1731087062 IANFGQYETMDMET-CZTZKLFOSA-N 439.629 4.887 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740567380 QTVIBNABYMMKSR-CVDCTZTESA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CC(=O)N(C)C1CCCCC1 1740726051 TZGJKAVOCKYIOL-YIXXDRMTSA-N 447.627 4.603 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C)c1 1740787948 MJFPYCKDDBJGJF-UHFFFAOYSA-N 444.377 4.573 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1740804978 HOQCQBOHAGFKQA-WMLDXEAASA-N 440.922 4.940 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(Cl)nc2)CC1 1740819576 VOMXIXSCZNADOP-UHFFFAOYSA-N 431.874 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1740846068 LKYGMNURRNQQDE-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCCc1ccccn1 1740846679 HLHOMQFUYBXENU-UHFFFAOYSA-N 433.556 4.740 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1740866672 KXHSXIVRACLBGV-UHFFFAOYSA-N 448.036 4.543 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCSCc1ccc(C)cc1 1740893775 WCSLVUFEJFAVHF-UHFFFAOYSA-N 446.418 4.900 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1CC 1740898583 RAQOMBWSKHRQPX-OAQYLSRUSA-N 439.604 4.626 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1C)C1CC1 1740913041 BXFIIWWPXXVZIO-GGPKGHCWSA-N 429.609 4.941 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1740922047 RORJKZZUGOGXRA-WOJBJXKFSA-N 438.645 4.895 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCCC1 1740922918 XALVRQKWKYGRMV-HXUWFJFHSA-N 446.624 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1cc(C(C)(C)C)no1 1740923986 BGPTYRSYKJISES-GOSISDBHSA-N 427.574 4.718 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C)CC1 1740936309 OVKZAHFVWQBFHR-UHFFFAOYSA-N 430.350 4.664 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1740944061 NIICBOYTLVWYRH-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CCn1c(N2C[C@H](C)C[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)nnc1C(C)(C)C 1740950135 QDILACVKCFAZLT-DMZKTXOQSA-N 447.942 4.858 30 10 IJEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)s1 1742219154 CJVCCJQAOPPBMH-LJQANCHMSA-N 439.610 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1748674658 VEMVWGCXWVLSOR-LQBOVUBWSA-N 429.008 4.822 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)Cc1cc(Br)cs1 1748721732 LPXNMPHRVKMRPG-UHFFFAOYSA-N 444.402 4.528 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@@H](C)C1 1748736044 WQBWAOIORSIOCG-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C2CCC1(C)CC2 1748760114 TVNMOLHNFVPFQR-UHFFFAOYSA-N 429.362 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1749170803 JPRJLBRZCZYGFG-NRFANRHFSA-N 434.588 4.650 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1Cc1oc(CC)nc1C 1749547036 JKYBKRTXPFIQDW-UHFFFAOYSA-N 446.530 4.503 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)C[C@H]2CC)cc1 1749686637 WHVSAXVXYBBVPT-DYESRHJHSA-N 437.613 4.872 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2ccccn2)CC1 1750386438 GWQMPXIZDAYCRE-UHFFFAOYSA-N 438.988 4.601 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1760134802 ZAJFEWMADLLXKO-UHFFFAOYSA-N 439.567 4.847 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(NC(C)C)CC1 1760146642 RKVNEBINAHBSNS-UHFFFAOYSA-N 444.627 4.733 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCO[C@@H]1C(C)C 1760228460 GYYKBQLXTGIIER-NJNPRVFISA-N 426.630 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760289694 QZLKDSZTZVGSIH-VQBGDGMRSA-N 440.563 4.753 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](CC)C1 1760311963 HBLDQACIQZQIRV-QGZVFWFLSA-N 433.394 4.955 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(CC)C(C)C 1760320115 SEPKJGJAFDFHMX-SIKLNZKXSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCSC[C@@H]1C 1760328492 WRGQRVIQURVDJK-JQVVWYNYSA-N 444.670 4.802 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Oc2ccccc2F)CC1 1760384720 FLDJGUFPZPIMAE-INIZCTEOSA-N 427.911 4.757 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCc2sc(C)nc2C)CC1 1760393827 ZYRUMVZZRYFMSY-UHFFFAOYSA-N 437.613 4.892 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2sccc2C)CC1 1760399802 XHMQOFFJOSRUOY-UHFFFAOYSA-N 438.597 4.977 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1760441618 OKJLRFOJYGYQNZ-UHFFFAOYSA-N 449.574 4.920 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nnc(C(C)(C)C)s1 1760497266 YMEKRJNCZWXQTE-UHFFFAOYSA-N 447.612 4.726 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C(C)C)CC2)C1 1760536194 DXFKDILCZIZIAW-LJQANCHMSA-N 445.405 4.925 30 10 IJEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)CCc2cccs2)o1 1762729111 BKNSDLSMTMPADK-UHFFFAOYSA-N 446.580 4.854 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)o1 1763928831 CTVMHNQSDZLBOY-UHFFFAOYSA-N 432.553 4.812 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](CC)C1)OC 1765245915 CMPGTSREVFMEMF-VXKWHMMOSA-N 441.645 4.990 30 10 IJEE CO[C@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1)C1CC1 1769539103 BUKBVIMEARVNBS-JOCHJYFZSA-N 447.505 4.801 30 10 IJEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n(Cc2ccc(F)cc2)n1 1859412935 LMCVOMQFTGOPQD-UHFFFAOYSA-N 441.422 4.770 30 10 IJEE CCOc1ccc2oc(C)c(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c2c1 1859649132 GCXRGKPUKWJFCK-UHFFFAOYSA-N 437.459 4.998 30 10 IJEE CSCc1ccc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)o1 1859763806 WQJNSOHTRJNPJW-UHFFFAOYSA-N 431.521 4.926 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1 1862451546 IJOOADNEOPQRFO-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862674244 UGFMGBIFRKEICX-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862744615 QFWYZSGUEMCQLA-XIKOKIGWSA-N 448.397 4.990 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1 1863299385 MWWSEBPRYZUHIA-INIZCTEOSA-N 441.462 4.659 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2c(O)cccc2Cl)c(Br)c1 1866168120 CPKVDGXFFBDJQT-UHFFFAOYSA-N 430.483 4.695 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccccc1C#N 1866651223 AWQDRYXFMOQZIL-QFIPXVFZSA-N 444.535 4.686 30 10 IJEE CC/C(=C\C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(OC)cc1 1866688114 OOXLJWVXNQWKHJ-GDNFTRMYSA-N 439.515 4.856 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1 1868959532 WUISASGUYFJULN-URXFXBBRSA-N 440.534 4.972 30 10 IJEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c1 1870144912 NLCAIMDZZOSKTC-UHFFFAOYSA-N 437.931 4.824 30 10 IJEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870411805 NSLBGFCDUPELLE-DHIUTWEWSA-N 449.680 4.539 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CNc2cccc(Br)c2)cc1=O 1871007285 UPYSTRRUTPEEJD-UHFFFAOYSA-N 437.337 4.592 30 10 IJEE C=CCN=c1nc(Nc2ccc(F)cc2)[nH]c(N(Cc2ccccc2)Cc2ccccc2)n1 1871517605 UGEHQPZRNGRFTN-UHFFFAOYSA-N 440.526 4.981 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872055340 VXVMQKWTQPLWCT-OAQYLSRUSA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccccc1 1872178809 QVKWANVUFMFSCU-QHCPKHFHSA-N 444.597 4.850 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)cc1 1872568376 KXVGZGHDQMZOLP-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE CCc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 1872761684 SNFXYBCZWJEJGV-HXUWFJFHSA-N 443.528 4.867 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N(CCC)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O 1873023266 VDRQDTAJYJOFJW-KMDXXIMOSA-N 433.681 4.699 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCCN(CC)CC)ncnc21 1873624908 XSDPSVXOFZYGKD-UHFFFAOYSA-N 440.979 4.585 30 10 IJEE CCCCCCCCNC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1C 1873891429 BQCZELHFUCRHHI-UHFFFAOYSA-N 444.022 4.996 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccncc2)c1 1874295542 HQBNLQRSIJHQIQ-MFKUBSTISA-N 444.520 4.655 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874321320 LNUOCRBGOVNKLN-FSJBWODESA-N 428.945 4.993 30 10 IJEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(O)cc2O)c1 1874402119 JHXQBOHTHHOHAO-WGOQTCKBSA-N 444.560 4.957 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1O 1874413068 AGOHZIPFIRFGDX-HZHRSRAPSA-N 436.562 4.559 30 10 IJEE OCCCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(Cl)cc1Cl 1874414543 XOLAIYBBPULOMZ-RGVLZGJSSA-N 427.382 4.594 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 1874420371 IWKGMBAHWHJADY-CIAFOILYSA-N 439.591 4.990 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccs2)ccc1O 1874422564 SVAXEMWYPFVXHS-CIAFOILYSA-N 437.506 4.795 30 10 IJEE OCCCSc1nnc(-c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874429409 IPDGVOPCUBYFML-NLRVBDNBSA-N 444.560 4.881 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2ccccc2)nnc1C(C)(C)C 1874481688 JGTVIJMMCYQUPZ-ZVHZXABRSA-N 440.569 4.776 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1c[nH]c2ccccc12 1874482835 QCKBXKIQHQWPNP-VULFUBBASA-N 446.580 4.978 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874522568 ZRMYMFMTKGSXFN-DHRITJCHSA-N 432.553 4.552 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cccc2ccccc12 1874523744 DRKMWJGXTHZFQV-MFKUBSTISA-N 429.549 4.915 30 10 IJEE C=CCSc1nnc(CC)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874526099 QCZRACSMJRXNRJ-RGVLZGJSSA-N 439.379 4.559 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1OC 1874575445 NTUOZNHKKNQNCY-CSKARUKUSA-N 433.298 4.686 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cccc1OC 1874575654 ZDQKDTAWGGUMDK-SDNWHVSQSA-N 440.496 4.527 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC(=O)NCc1ccccc1 1874587817 GRDGGHDPVOOCLZ-CCEZHUSRSA-N 429.516 4.903 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 1874618959 BSUJPNFQYNDHKC-WLRTZDKTSA-N 435.451 4.757 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OC 1875144339 BOFOCUQHEIEMPX-SOFGYWHQSA-N 449.297 4.686 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1cccs1 1875147571 AASKEAVJHCDWSB-QPJJXVBHSA-N 436.485 4.572 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(Cc4ccc(OC)cc4)CC3)n[nH]2)c1C 1890154096 BRQHCVKOCUMOHR-UHFFFAOYSA-N 447.583 4.570 30 10 IJEE COc1ccc(-c2cccc(S(=O)(=O)N3CCC(C#N)(c4ccccc4)CC3)c2)cc1 1891744578 ZYUVGXFOLSGSGM-UHFFFAOYSA-N 432.545 4.608 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2001296370 WVOICUZCSBXYAS-FGZHOGPDSA-N 432.605 4.542 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NC 2047972645 FMEWZKHWKVDICL-ZIAGYGMSSA-N 435.765 4.842 30 10 IJEE Cc1cc(Cn2nc(C3CCOCC3)c(C#N)c2Br)cc(C(F)(F)F)c1 2080341483 VODJQLZQHOCYKX-UHFFFAOYSA-N 428.252 4.787 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)c(Br)c1F 2105998452 PDTRVMZZAKZOAH-ZIAGYGMSSA-N 426.330 4.955 30 10 IJEE CN1C[C@@H]2CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3Br)[C@H]2C1 2152852438 CDNSGXHZUHXHIL-QYWGDWMGSA-N 434.378 4.815 30 10 IJEE C[C@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2174809855 FNGMDMZKKPLLCD-UONOGXRCSA-N 440.357 4.980 30 10 IJEE CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)cc(F)c1C#N 2174812472 LITAWXFJAYCRCP-CQSZACIVSA-N 440.357 4.933 30 10 IJEE CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1cc(Br)ccc1C#N 2181053853 PXHNCYQBGWIPOI-CQSZACIVSA-N 438.366 4.980 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc(Br)cc1C#N)C1CCCC1 2181106012 QRLCZNZECPDZSB-MRXNPFEDSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](O)C#Cc1ccc(Cl)cc1 2212470446 YVGHAGAGFHBUEA-YADHBBJMSA-N 429.944 4.553 30 10 IJEE CC(C)[C@H](CCCC(=O)Nc1cc(Br)ccc1C#N)NC(=O)OC(C)(C)C 2235330048 IUWMFFLTBASHJH-INIZCTEOSA-N 438.366 4.979 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235717691 BHHUDVFBFXTOSR-MJGOQNOKSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(N)C#Cc2ccccc2Br)C1 2235724120 FYTQZZXEIUOQAO-HMFYCAOWSA-N 433.390 4.555 30 10 IJEE C#CC[C@H](CC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237413419 FZEKUHZSVMSOCN-MJGOQNOKSA-N 434.374 4.894 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@@H](N)C#Cc1cccc(Br)c1)Cc1ccccc1 2242572195 UAWFCRFODMFYCG-NRFANRHFSA-N 443.385 4.955 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](O)C#Cc1ccc(Br)cc1 2242589338 PEHRVHKVHQGQSX-HXUWFJFHSA-N 430.342 4.599 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)C[C@H]2CSC[C@@H](C1)N2C(=O)OC(C)(C)C 2244164618 CWIPRZDHENESLD-AQKKSAQBSA-N 439.622 4.657 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(C(=O)N(Cc3ccccc3)CC3CC3)c2)OC1(C)C 2247782139 QTYUIFGDYMDIFB-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2285831868 VKHYPSYXNHSCOE-BSZHMFSPSA-N 434.378 4.990 30 10 IJEE CC(C)(C)OC(=O)N1CCCC12CCC(N)(C#Cc1ccc(Br)cc1)CC2 2296228405 YSVZGPIPDIFEGW-UHFFFAOYSA-N 433.390 4.842 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@H](N)C#Cc2ccc(Br)cc2)C1 2296301154 RIZXLENMXMJGBY-RTBURBONSA-N 433.390 4.555 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2296308317 GLKOTBKQUXQXHL-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2296308464 IZPIBGLBWWOISR-UAFMIMERSA-N 433.390 4.567 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(F)cc2)no1 2296589040 WXRBVCMDSGCNNP-OAQYLSRUSA-N 436.439 4.536 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 2296798425 SAOPYPWRLFJESF-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1cc(C)c(C=CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(C)c1C 2297474124 OXULUIQMTVJPRG-NRFANRHFSA-N 437.536 4.559 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2307506704 WBRJMFLIOLNVSE-IPRDPGLQSA-N 437.625 4.519 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1cc(Br)cc(Cl)c1O 2313557490 DUUJGUCIBFVKRI-UHFFFAOYSA-N 427.682 4.839 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c(OC)c1 2314429578 KGTOWXSMUCZMIK-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1ccc(C=NN=C2SC(=Cc3ccccc3F)C(=O)N2Cc2ccco2)cc1 2314818295 CJMBSIGBSMLVGK-UHFFFAOYSA-N 435.480 4.934 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1c(F)cccc1Cl 2320934118 SKKNQPQMDWEVKV-UHFFFAOYSA-N 445.951 4.863 30 10 IJEE CCCOc1ccccc1C=CC(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)n1 2321121817 QNFGQFUBCKBCAH-UHFFFAOYSA-N 426.476 4.646 30 10 IJEE CN(C)CCN1COc2ccc3c(c2C1)OC(=Cc1ccc(-c2ccccc2)cc1)C3=O 2322036926 IIEQNLLSFMEYQN-UHFFFAOYSA-N 426.516 4.683 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)ccc1OCC(=O)NCc1ccco1 2323481491 GAQQEKYTHXPGAV-UHFFFAOYSA-N 433.504 4.832 30 10 IJEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(OC)c(OC)c(OC)c1 2326546568 OHUPBZCYNUEIGZ-UHFFFAOYSA-N 446.960 4.694 30 10 IJEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(OC)c1OCC 2329499855 QVGKSCGWWYGDBH-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2329926214 TXXDPNZXOKGEDM-VGSWGCGISA-N 444.531 4.868 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccco2)c1 2330245788 PIFNDLPORQDPPJ-UHFFFAOYSA-N 437.569 4.915 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1O 2330651276 BKJVHPGXFHDHNZ-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)c1 2330800633 PMPNDQYEVRTWLG-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)c1OC 2331187083 PGATWWHACDQENQ-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2cccc(F)c2)cc1 2331259381 WNPSRSPZKHTLOG-UHFFFAOYSA-N 442.560 4.960 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)c(C)c1C 2331611868 RRALBMDQWKFMTQ-OAQYLSRUSA-N 444.911 4.955 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(CC)cc2)o1 2331696012 CBKATUPAWMZHFY-UHFFFAOYSA-N 426.542 4.908 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1c(F)cccc1Cl 2331734081 FEYGXNRYSKQGFT-UHFFFAOYSA-N 443.935 4.869 30 10 IJEE CN(C(=O)OC(C)(C)C)C1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339537659 WOIDZVGCZVLHJG-UHFFFAOYSA-N 443.397 4.562 30 10 IJEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574031 BKRRKRKCVLULID-RTWAWAEBSA-N 433.405 4.825 30 10 IJEE C[C@H]1[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339591438 BAKRUIKEEKSDNR-PKOBYXMFSA-N 443.397 4.926 30 10 IJEE CC1(C)OB(c2cc(NC3CC(OCc4ccccc4)C3)nc(C(F)(F)F)c2)OC1(C)C 2339594768 ZGNPVHPGWDAVRI-UHFFFAOYSA-N 448.294 4.559 30 10 IJEE C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2339601571 ZYSCUJHIOQISQM-IEBWSBKVSA-N 444.381 4.893 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2358672025 QSQYEDYLMUJTCX-QRQLOZEOSA-N 435.406 4.862 30 10 IJEE C=CCN(CC(=C)Br)[C@]1(C(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2374008291 XQJHKHQGYVCXKN-FXAWDEMLSA-N 444.316 4.611 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccc(F)cc2)n1)Nc1cccc2ccccc12 21077328 PYYNGVPNTAAWRB-ZVHZXABRSA-N 434.500 4.664 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccs3)oc12 34719228 ZHRTVFVLNJNUAO-FQEVSTJZSA-N 446.484 4.676 30 10 IJEE Cc1cc(OCC(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)ccc1C(C)C 40899386 OVTGZBIYOXYYSA-UHFFFAOYSA-N 427.595 4.822 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 41502217 HMHRMEGMBLFMPH-KSEXSDGBSA-N 444.439 4.706 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccccc1 59020150 NPHQANKYKFVDCM-KSEXSDGBSA-N 435.340 4.678 30 10 IJEE C[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12 59049228 CIQAEIJPIHDBIA-HNNXBMFYSA-N 426.501 4.993 30 10 IJEE C/C(=N\Nc1nc(SCc2cccc(Br)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 59311316 DRZCBHLFSSDLMM-RGVLZGJSSA-N 447.318 4.604 30 10 IJEE N#C[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc(F)cc1F 111223020 BANLTVDROYKNPK-QGZVFWFLSA-N 448.292 4.774 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(F)cc1 169940873 SHZLLLNHWDUUGK-XMMPIXPASA-N 431.463 4.936 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169963961 DJRKIDVXTTXDPJ-QFIPXVFZSA-N 446.409 4.935 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 170012200 SLKZQANSTDJDOF-OAQYLSRUSA-N 436.870 4.695 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)s1 170022481 VHSLBVQBSCOZHI-GOSISDBHSA-N 439.924 4.900 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102905 UGYZTFFPFQJHRR-QFIPXVFZSA-N 437.442 4.996 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2C2CCCC2)c1 170121309 DAQHPBGHHCGDFB-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1OC(C)C 170150459 ADBDCHQAKQFLLD-XMMPIXPASA-N 449.547 4.577 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)c1 170182772 HWWCMXBMIATMAK-JOCHJYFZSA-N 426.428 4.619 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)cc1 170186628 BIRVEOJZBMRJPE-JOCHJYFZSA-N 426.428 4.619 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170223078 CTFSALCCTSQTOO-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@H]3c3ccccc3)ccc2O1 170234416 MBAFNKWSYSXBDG-FYSMJZIKSA-N 443.474 4.928 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccccc1C 170270339 DRSNNMFBGUKHHB-HXUWFJFHSA-N 425.868 4.619 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(O)cc1)c1ccccc1 170338743 SGJDPWBBBPMMHP-XMMPIXPASA-N 440.499 4.775 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccnc1)c1ccccc1 170417194 WUVMFAFLALQTDA-HXUWFJFHSA-N 438.405 4.879 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(C)c2)cc1OC 170461224 BLVXJARJHYJWQK-QFIPXVFZSA-N 437.536 4.566 30 10 IJEE C=CCN(C(=O)c1cc(Br)ccc1I)C1CCCC1 226363619 WYBRHZSPPJDCDN-UHFFFAOYSA-N 434.115 4.625 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1COc1ccc(Cl)cc1 254770263 IPZIADRGVPQARS-UHFFFAOYSA-N 442.850 4.709 30 10 IJEE Cc1cccc(NC(=O)c2c(N)n(N=Cc3ccc(F)cc3)c3nc4ccccc4nc23)c1 254867319 FUEGNPDAOUAKFX-UHFFFAOYSA-N 438.466 4.749 30 10 IJEE N#CC1(C(=O)Nc2ccc(Br)c(I)c2)CCCCCC1 312701552 DAPZZKGKXMQMNB-UHFFFAOYSA-N 447.114 4.856 30 10 IJEE C[C@H](NC(=O)Cc1noc(/C=C\c2cccc(C#N)c2)n1)c1ccc(Cl)cc1Cl 445764887 JTAAWLWRJQATND-UJZCVKTISA-N 427.291 4.838 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 476085722 SHAXVYCPBJVENI-LJQANCHMSA-N 446.638 4.948 30 10 IJEE N#Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)ccc1F 481516235 HDBQDZRNXZMBSY-UHFFFAOYSA-N 425.489 4.785 30 10 IJEE COc1ccc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n2)cc1Cl 502554474 ZVTYAFFLEOBHLF-FQEVSTJZSA-N 435.933 4.672 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 505866525 RDZRKCDGOVPGTA-LJQANCHMSA-N 441.531 4.873 30 10 IJEE C=CCC[C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccccc1 507199680 KLASNOJOJJCYTQ-UIOOFZCWSA-N 432.608 4.781 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 549291300 DMMMKLKNEZMLJR-DENIHFKCSA-N 425.646 4.544 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)CCc1ncc(C)s1 570702077 ZNWLEIZFLLFPOB-UHFFFAOYSA-N 429.615 4.599 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 580050632 HPCXINCVCJSKQC-HXUWFJFHSA-N 439.903 4.661 30 10 IJEE N#Cc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(Br)cc2)c1 586208990 QBKLZIQDXJMVQV-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCc1ccc(C#N)cc1F 609252789 KLEPEMUAWWFIEO-SFHVURJKSA-N 432.293 4.515 30 10 IJEE C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(NC(=O)Cc2ccccc2F)c1 609252895 IRACOMIMDQEXFP-INIZCTEOSA-N 448.473 4.578 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C[C@@H]4CCOC4)C3)n2Cc2ccccc2)cc1 619817441 CQUSMNQPEUWCKK-PKTZIBPZSA-N 427.552 4.508 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(N)cc(Cl)c1Cl 747021563 KLBBPJKZSZGDNP-LLVKDONJSA-N 438.336 4.765 30 10 IJEE C=CCN1C(=O)N[C@@H](c2cnc(-c3ccccn3)s2)C(C(=O)Nc2ccc(F)cc2)=C1C 753383183 NIQOBWWVCVEWOO-FQEVSTJZSA-N 449.511 4.509 30 10 IJEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccs1)[C@@H]1CCc2ccccc21 812362267 UAOCXEHOTKOLDE-HSZRJFAPSA-N 425.561 4.501 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(C)c(F)c2)n[nH]1)c1ccc2ccccc2c1 1084347485 PNNAEGGHAPUQLA-UHFFFAOYSA-N 448.527 4.972 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3c(Cl)cccc3Cl)C3CC3)cc2C1=O 1128786067 PCZSEEHYBIWCKA-UHFFFAOYSA-N 429.303 4.580 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCN(CCc2ccccc2)C1 1142766752 HSPWXDYGZVPJBE-SIKLNZKXSA-N 443.513 4.901 30 10 IJEE CCOC(=O)[C@](C)(CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)CC(C)C 1156426562 BOJDMTOAROBWGS-DEOSSOPVSA-N 448.007 4.550 30 10 IJEE C#C[C@H](NC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1157507925 KTWLJAGOAJJRIG-PZJWPPBQSA-N 442.918 4.944 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCCC1(C)C 1189785969 YVYGEIRHKRPWGL-UZLBHIALSA-N 427.994 4.511 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccn(Cc3ccncc3)n2)cc1OCC 1201364950 LNDRPLCEULVRPE-UHFFFAOYSA-N 443.345 4.665 30 10 IJEE C#CCN(C(=O)NCCc1ccc(-c2nc(CC)no2)cc1)[C@H]1CCCc2ccccc21 1221708259 NAZKQIBIVBCSQG-QHCPKHFHSA-N 428.536 4.564 30 10 IJEE CCOc1ccc([C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)c2ccccc2)cc1 1222534676 CHVMTFRGXBKUJV-XMMPIXPASA-N 446.576 4.640 30 10 IJEE CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1225915103 DTYCTUPHEAHOHI-UHFFFAOYSA-N 446.526 4.670 30 10 IJEE COc1ccc(-c2csc(CNC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)cc1 1229830580 GCSMSWQKSMZXAY-UHFFFAOYSA-N 446.576 4.717 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccc(N2CCNC2=O)cc1)c1ccc(C(F)(F)F)cc1 1230694655 VMUNLHVXZPBLQE-HXUWFJFHSA-N 446.473 4.742 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1 1235494005 BIQIGLNUCGWDSV-INIZCTEOSA-N 433.961 4.609 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 1251218473 DCODHAIFLYAWFS-DNVCBOLYSA-N 427.358 4.737 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1255301364 XEWNFZGCIWTPGT-HZPDHXFCSA-N 442.025 4.992 30 10 IJEE C=C1CCC(C(=O)Nc2cccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1264894464 KYFNIFNYLVGHGC-UHFFFAOYSA-N 442.556 4.928 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cnc(C(F)(F)F)c(C)c2)nnc1-c1ccco1 1279224529 QSJWNQBOYIAWBV-UHFFFAOYSA-N 437.447 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CCOC)CCCCC1 1286306584 VSHQRVUOCWWOSB-NJDAHSKKSA-N 430.637 4.642 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)(C)C)CC1 1286317320 OOMDOIQAFFXCKQ-JOCHJYFZSA-N 437.632 4.759 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1oc2ccc(F)cc2c1C 1286453127 WSOZGMUCUYCZLW-XMSQKQJNSA-N 438.547 4.898 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286498446 IFRIDMUIPDLKHG-IRLDBZIGSA-N 438.641 4.614 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1286500421 XNKJUGGBPSYZFC-VXKWHMMOSA-N 438.641 4.829 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(N(C)C)CCC1 1286520510 NBQCPHCVPOWMNU-AREMUKBSSA-N 449.643 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnn(CCOC)c1 1286565118 AVLIAHCYQGSJIM-UHFFFAOYSA-N 436.604 4.536 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1286670101 AQEJNSQPVSOFAP-ACRUOGEOSA-N 445.652 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286675848 DJMDICGQVYJACU-VWLOTQADSA-N 448.652 4.705 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)[C@H](C)C1CCC1 1286694574 FZFDEDDAVBVWOJ-GOSISDBHSA-N 444.649 4.528 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1ccco1)C1CC1 1286735120 NWCKVNLCTDRQTQ-OAQYLSRUSA-N 433.339 4.907 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC 1286745883 YRCGYRYCISYQRA-TZIWHRDSSA-N 430.568 4.565 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCSC(C)C)C1 1286803883 HEHZNJQMTHQBHF-KRWDZBQOSA-N 437.009 4.530 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1286832114 OUFBLIFMCAUBOR-UHFFFAOYSA-N 442.677 4.703 30 10 IJEE C=CCSCCn1c(N(Cc2ccccc2)CC2CCOCC2)nnc1C(C)(C)C 1286834257 BOKBAIAETRGGHU-UHFFFAOYSA-N 428.646 4.928 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC1(C)C 1300563116 DSRPXHCJROITHC-SFHVURJKSA-N 425.374 4.525 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1C[C@H](c2ccccc2C)C1 1300895382 QQTYAJOVVMRHOZ-MXVIHJGJSA-N 430.556 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](Cc1ccccc1)OC 1300905682 CIJSAOHZZVXZDQ-HXUWFJFHSA-N 425.964 4.654 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCC[C@H]2C)CC1 1301106972 ZEUDFRHRSIOZSX-DYRZZGSRSA-N 438.616 4.988 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCSC2(C)C)CC1 1301134032 CXMRBIAPNDTNDT-IBGZPJMESA-N 442.629 4.800 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1301176459 APBVZRKVUXPQGC-SFHVURJKSA-N 426.590 4.543 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1301534506 BQHRYPWDMYLFQQ-SYYKKAFVSA-N 437.588 4.548 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1301601591 QWGVGQKGWNIBBQ-HXUWFJFHSA-N 433.021 4.913 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(Cc2ccccc2)CC1 1305475919 AJZRFNXLISSVEM-QFQXNSOFSA-N 434.632 4.834 30 10 IJEE C#C[C@H](NCc1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1308785577 RPLNQMRGUVIEBB-FQEVSTJZSA-N 429.358 4.938 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1c[nH]c2c(Br)cccc12)c1ccc(F)c(F)c1 1309417834 FMUPEAHBFLIUIS-KRWDZBQOSA-N 441.297 4.804 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1310195587 AGKZEFPCRRRTSM-FQEVSTJZSA-N 442.441 4.798 30 10 IJEE COC(C)(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C#N)CC1 1315129954 DOGDSAJENYTARY-QGZVFWFLSA-N 445.995 4.853 30 10 IJEE COCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCCCC1 1315843458 FVBFRPNCNWQEBE-XMMPIXPASA-N 437.588 4.681 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C(=O)OCCCC)cc2)CCCN1C(=O)OC(C)(C)C 1350164333 QQPWGNQAEPMRJC-DEOSSOPVSA-N 430.545 4.928 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccncc4)c3)cc2Cl)c1 1352479319 DYKISWBNKYAFCR-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(Oc2ccccc2)c(F)c1 1355211982 BIYLVKARWWWWBM-XLIONFOSSA-N 443.478 4.720 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1oc2ccccc2c1Br 1356183289 XKRBDRIEFVDLPR-UHFFFAOYSA-N 445.265 4.938 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1357138567 SSFVMQCSMOSGDV-UPVQGACJSA-N 435.955 4.833 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359052017 RGDBNQUAMWBPSS-FQEVSTJZSA-N 430.568 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)C1CCC(C)CC1 1359100819 GSVFNVJCOBDGFM-SWCUUOBISA-N 438.616 4.874 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCCCC1 1359129028 NWXQLFHVKNEYCQ-UHFFFAOYSA-N 433.394 4.989 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359210782 HNLKPLDYDGYNJH-OAQYLSRUSA-N 444.645 4.612 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)cc1 1359227661 HSDFWGZTJUPELO-UHFFFAOYSA-N 435.410 4.858 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@@H]1C 1359261391 HBLVCVGVCPXALV-UQBPGWFLSA-N 426.580 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnn(C)c1 1359276378 AVFIWJLOLLUKQF-UHFFFAOYSA-N 444.583 4.853 30 10 IJEE C=CCn1c(SCC2(Br)CC2)nnc1-c1ccc(Br)cc1 1458830334 UOWHSKGUBCMAKG-UHFFFAOYSA-N 429.181 4.913 30 10 IJEE C=CCCC1(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)CCCC1 1461530684 JPPVYPIGOPDGDQ-UHFFFAOYSA-N 437.769 4.940 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)c1ccccc1 1463270796 KSMXVSCGVGUSLB-HKBQPEDESA-N 432.549 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 1466287360 LFZCKYNEIQQSJO-YJBOKZPZSA-N 440.491 4.646 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1466391722 YMUSVUNHPGTDMS-IBGZPJMESA-N 442.625 4.937 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H]1Oc1ccccc1 1467366504 GJPRDALMGIWSCB-QLBJFCOMSA-N 446.478 4.844 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC 1471056811 IXGSDCKSOQYMBX-CMQXMCPJSA-N 444.572 4.569 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc4c(F)ccc(Cl)c4s3)n[nH]2)c1C 1471093700 VNOGGNCTBZAUEP-UHFFFAOYSA-N 430.896 4.731 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)CC1CCCCC1 1473164148 TVBAJMHXFXDGAO-UHFFFAOYSA-N 434.584 4.981 30 10 IJEE Cc1ccc(CN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]2CCc3ccccc32)cc1 1473267038 HZEMVEGXMNPWRC-LBNVMWSVSA-N 426.560 4.991 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC(C)(C)c1ccc(OC)c(OC)c1 1473980810 PYDPVKMLXYAJNP-UHFFFAOYSA-N 432.358 4.546 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1)c1ccc(Br)cc1 1476036138 QYYLJRXXEOAPNW-OALUTQOASA-N 443.341 4.811 30 10 IJEE C[C@@H](CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N(C)Cc1ccccc1 1477971611 IAWOXQUINJYCPS-IBGZPJMESA-N 432.593 4.997 30 10 IJEE C#CCN(C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1478176997 WNLIQJPOXDCHRC-IFMALSPDSA-N 427.589 4.792 30 10 IJEE C=CCC[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)c1ccccc1 1478257122 IAQZHKRIVUDBQB-HXUWFJFHSA-N 435.337 4.800 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1507570785 JKPTUGPNPUZHAH-NRFANRHFSA-N 428.552 4.584 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC1(c2ccccc2OC)CCC1 1507672130 WLWVEUPTDCKEBI-UHFFFAOYSA-N 444.604 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC1CC(F)(F)C1 1507806315 MPXRWURVJRLJAN-UGKGYDQZSA-N 446.542 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(Cn2cccn2)CC1 1507920411 VAPRHKSALVILLL-UHFFFAOYSA-N 448.615 4.881 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(OC(C)(C)C)nc1 1507985476 FNMDGCVBBSBXAU-UHFFFAOYSA-N 435.572 4.717 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@H]1C(C)C)C1CC1 1507990811 OICVVPIJHBMPRQ-IERDGZPVSA-N 430.980 4.823 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccco1 1507999276 YUKGYILBTVGKAT-UHFFFAOYSA-N 435.915 4.836 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1508108888 NBCZAGDVQBHPJI-ROUUACIJSA-N 440.638 4.874 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 1508153383 ZCPFYIMVRZHDPU-LSWJPFSZSA-N 425.646 4.769 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(F)(F)F)s1 1511424132 CVNVMIIWULDGDC-CYBMUJFWSA-N 434.491 4.774 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(C)c(I)c1)c1ccc(F)c(F)c1 1523651280 HFLQEKIJLPERQX-QGZVFWFLSA-N 427.232 4.925 30 10 IJEE CC(C)n1nnnc1-c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1F 1526808919 HDMRMMBHHUSHEF-UHFFFAOYSA-N 442.454 4.976 30 10 IJEE C=CCC1(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CCOCC1 1527170796 GUMKSZQZMPBOFC-UHFFFAOYSA-N 430.907 4.721 30 10 IJEE C=CC[C@]1(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C)CCCN1C(=O)OC(C)(C)C 1531353862 FUSWLHLWLWABQR-HSZRJFAPSA-N 428.508 4.604 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(Br)ccc2NC(=O)OCC)cc1 1534109906 ZLQBPWPQYVZPCM-UHFFFAOYSA-N 431.286 4.672 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2Cc3cccc(C)c3CC2(C)C)nnc1-c1ccco1 1534560139 RBHJHUKVCAPSES-UHFFFAOYSA-N 436.581 4.878 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1 1535267528 UTTBJVMYNBIGEH-NRFANRHFSA-N 428.598 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1c(CC)noc1C 1538992651 VYANGQXVAHPRDG-SFHVURJKSA-N 435.572 4.735 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1539109635 SPQNHJCIKSHKDY-RUZDIDTESA-N 435.572 4.676 30 10 IJEE C#CCCCn1c(Cc2ccncc2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1539128065 SDRUSUXZHZSSBS-UHFFFAOYSA-N 425.536 4.786 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](SC)C(C)(C)C 1539327645 CHWZZZBOBATHGW-FQEVSTJZSA-N 429.033 4.763 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)C 1539347117 OKMSIHPMXHPFTF-GBXCKJPGSA-N 431.584 4.712 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCC[C@H]1CC 1539350427 LJDJZUICDKWRLV-PZJWPPBQSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1csc(CC)n1 1539351467 BHKKDFLCFHOSME-UHFFFAOYSA-N 447.564 4.644 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](CC)N1CCCC1 1539382475 JVVMHMSLLRUEKT-LJQANCHMSA-N 432.037 4.558 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1539520498 TUOGOPQPPNPHEN-WOJBJXKFSA-N 447.048 4.529 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)OC(C)(C)C1 1539622389 FOBQCRJDJKTMEU-YRNRMSPPSA-N 448.970 4.723 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=CCC1 1539643207 LMPMICKLFSYEFN-GBXCKJPGSA-N 436.600 4.902 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)SC)CC1 1539848284 SFPGDRCENWRDMA-GOSISDBHSA-N 449.665 4.691 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2oncc2C1 1539902333 FBVVRLZSJRVMDZ-INIZCTEOSA-N 425.508 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1539928675 FPBQZJGQICHLIU-HXUWFJFHSA-N 432.996 4.974 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OC(C)(C)C)CC1 1539976803 FLAKOWCNMJWVQA-UHFFFAOYSA-N 439.604 4.897 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1540133956 MFMJEQHNNVVDBZ-JTHBVZDNSA-N 433.531 4.653 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1543462040 JEFWUJZHLNVLPI-GOSISDBHSA-N 437.337 4.823 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C(C)C)C2)CCC1 1555861293 DQVWLYVVPZLOQP-IBGZPJMESA-N 427.643 4.680 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1556558161 OCOHSIAUMSQLKE-GCJKJVERSA-N 442.556 4.579 30 10 IJEE C=C1CCC(CNC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1558260015 HDFQQYAMANRZSQ-UHFFFAOYSA-N 431.627 4.762 30 10 IJEE C#CCCOc1ccc(C(=O)O[C@@H](c2cccc(Br)n2)C(F)(F)F)cc1 1583740368 ZWVHZOQCLUQASN-INIZCTEOSA-N 428.204 4.707 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCCS1 1588180539 HKNHIANEGAWCLI-MBSDFSHPSA-N 443.016 4.820 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@]1(C)OCCc2sccc21 1588473472 NBFKMDQYTGCWHU-DEOSSOPVSA-N 438.572 4.730 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1589449300 AEOMYRGRXSQERJ-IAGOWNOFSA-N 431.378 4.563 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1 1589515482 OANOUKMEJFMAOH-HNAYVOBHSA-N 447.352 4.554 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1589559481 RTQOGGKAGNGSOQ-JTHBVZDNSA-N 438.620 4.542 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCN1CCC 1589641327 IEGLSWKVZZBYKV-XMMPIXPASA-N 447.631 4.798 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC2(SC)CCC2)CC1 1594133665 BQNQOXUGGHBRDI-UHFFFAOYSA-N 428.602 4.698 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1594193078 NSRDDZSCAJASPE-HMXCVIKNSA-N 448.652 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1594477675 HWAPOMYCDHQKBL-UHFFFAOYSA-N 430.600 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1594520923 GNPXWOXMMVOFOF-JOCHJYFZSA-N 432.616 4.913 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CCC)CCC1 1594955866 FGZSTAJZBPHNFZ-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1595037445 FALIUGJTJCRJOI-ICSRJNTNSA-N 440.588 4.568 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1snnc1C)C1CC1 1595064772 ATCJCKPROPHZAR-UHFFFAOYSA-N 438.601 4.518 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@@H](C)c1nc(C)cs1 1595099561 DKBJTLZRPCGKTC-QGZVFWFLSA-N 432.597 4.864 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCC1(C)C 1595234273 NBVWWWWLDQYVHL-JOCHJYFZSA-N 435.616 4.576 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1595275633 JLKGRSPOUBSVKZ-LJQANCHMSA-N 429.515 4.671 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1595335005 MCZXDSVYMJVWRO-UHFFFAOYSA-N 437.544 4.618 30 10 IJEE CCOc1cc(Br)c(F)cc1NC(=O)c1ccc(Br)cc1C#N 1596109357 ARVZVHVUBYMSRU-UHFFFAOYSA-N 442.082 4.873 30 10 IJEE C=CCn1c(SCc2nccc(Cl)c2Cl)nnc1[C@H]1COc2ccccc2O1 1613299075 HGOBMHQXUYFSSF-MRXNPFEDSA-N 435.336 4.971 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1 1616399969 UXUNBXQZLJAHON-UHFFFAOYSA-N 436.899 4.532 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccoc2C)cs1 1618925408 GBAVAHGCFXRSND-INIZCTEOSA-N 448.552 4.567 30 10 IJEE C=CCCC[C@@H](NC[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccccc1 1620542998 PLUJLVOSXSXQLK-DHIUTWEWSA-N 446.513 4.854 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(O)c2ccccc2c1C 1627695401 XMTDBXBOLCNVKA-UHFFFAOYSA-N 429.289 4.979 30 10 IJEE C#CC1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)CC1 1630856086 DPWJNSUTNDETAU-UHFFFAOYSA-N 431.561 4.977 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1633740392 PZKURWBTUXGMHP-UHFFFAOYSA-N 428.414 4.734 30 10 IJEE C=CCCC(=O)COc1cc(C(F)(F)F)nc2ccc(I)cc12 1641125202 ZSRBGBPQCXXSCO-UHFFFAOYSA-N 435.183 4.772 30 10 IJEE C=CCn1c(S[C@@H](Cc2c(F)cccc2F)C(C)=O)nc2cc(Cl)ccc2c1=O 1643356678 DSAQEGJUMQINSF-IBGZPJMESA-N 434.895 4.807 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)C1 1643855086 UMMDPIWKGVGCIN-LBPRGKRZSA-N 431.792 4.665 30 10 IJEE C=CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)OCC 1645291191 VLDRZBCECWCWAL-FQEVSTJZSA-N 447.329 4.520 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CN(C(=O)OC(C)(C)C)c3cccc(OC)c3)cc21 1645806600 BQAKUZMXNPSSBX-UHFFFAOYSA-N 436.512 4.611 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C(CC)CC)N(C)C 1649540406 VPRXHDSDAQZLRE-UZLBHIALSA-N 446.437 4.532 30 10 IJEE Cn1c(SCC(=O)[C@H](C#N)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 1651653312 DMFSNLWPNUXMRW-GOSISDBHSA-N 431.542 4.631 30 10 IJEE C#Cc1cccc(N(CC(=O)NCCc2cccc3cccnc23)Cc2cccs2)c1 1653701595 GGKSIZSTFASIKW-UHFFFAOYSA-N 425.557 4.643 30 10 IJEE CCCC(C)(C)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1cccs1 1658391863 AUEAGWNBWXLDRR-HXUWFJFHSA-N 444.670 4.599 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2cn(C)c3ncccc23)cc1OCC 1658451035 CJEQNZZTUMEWTI-UHFFFAOYSA-N 444.373 4.632 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)cc1 1658661664 YWBGNDQFRVALBR-XMMPIXPASA-N 438.616 4.619 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)c1 1659225791 GZFPGTRBYMOQKT-RUZDIDTESA-N 430.504 4.821 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1659553969 CUTCHHOEEAVSDH-IBGZPJMESA-N 443.341 4.829 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1662698084 RDMDAEYCPCWRJF-AVRDEDQJSA-N 438.369 4.983 30 10 IJEE C#CCN(C(=O)Nc1cc(C#N)c(F)cc1F)[C@H]1CCOc2ccc(Br)cc21 1664251597 WYOZWTHZEJXBOJ-SFHVURJKSA-N 446.251 4.590 30 10 IJEE CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NCc1cccs1 1671555653 CQEUIVQXJSBYGB-SBUREZEXSA-N 446.576 4.742 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1673599528 KKRUNCLVTCKPRV-NQIIRXRSSA-N 434.422 4.848 30 10 IJEE C#C[C@@H](NC(=O)N(CCCCOC)Cc1ccccc1)c1ccc(Br)cc1 1674025556 HPWAOZBQMBTYHP-OAQYLSRUSA-N 429.358 4.762 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)CC1 1677025028 DYQKKVZYPWLYQP-JOCHJYFZSA-N 425.573 4.920 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)c1ccc(Br)cc1 1679847132 QZBDQIMBEIAYLA-LAUBAEHRSA-N 427.342 4.551 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 1686919358 DXRAVMSEQOCXLS-LEWJYISDSA-N 425.573 4.620 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCS1 1690033269 UJSFGUUGTANFQU-WIYYLYMNSA-N 443.016 4.820 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 1690240327 DVQKVBMOIXJGOU-JBACZVJFSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCCOC1 1690304928 RJDSXCCETIHHKG-MOPGFXCFSA-N 444.645 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(CN2CCCCCC2)CC1 1690426195 FVHAYAKYNGXSDN-UHFFFAOYSA-N 438.664 4.978 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 1690444192 BYMWQJHRGKCYEZ-CTNGQTDRSA-N 439.604 4.646 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1690470658 IAVSTUJTOFTGGC-SFHVURJKSA-N 429.996 4.764 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1690563093 GXRIFQUBRMACGM-AZUAARDMSA-N 435.538 4.868 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(CC)C1 1690563608 XPGXMPJAFHDPLM-HXUWFJFHSA-N 436.991 4.528 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2=CCCCC2)C1 1690692488 ZHWBEMFGKWXJSW-LJQANCHMSA-N 428.964 4.889 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCOC(C)(C)C 1705695335 IFHVLKGFLMHQRM-YADHBBJMSA-N 426.605 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCC(C)(C)C1 1705716449 LPCOEKCVEMXLCI-UHFFFAOYSA-N 431.575 4.672 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1705732297 UYMLLZVJWDQYJN-QHCPKHFHSA-N 449.599 4.540 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccco1 1705738504 AEWMFZWVEXBLNJ-HXUWFJFHSA-N 428.483 4.674 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1705756003 MYANSHAXFJVSOO-KRWDZBQOSA-N 431.968 4.909 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1705778662 GABNXVFUTWFIFQ-UHFFFAOYSA-N 433.522 4.622 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705793628 DXKQYLJOVMAPSA-VWLOTQADSA-N 426.580 4.850 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)cn1 1705799217 QBTGUNOYJRIJDX-NHCUHLMSSA-N 429.584 4.962 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(Nc2cccnn2)CC1 1705811436 DUNOFXFDLWYUPJ-JOCHJYFZSA-N 431.588 4.657 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCc1ccsc1 1705859883 HUFPUYPFJZEZOT-JOCHJYFZSA-N 433.581 4.888 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@@H](CCC)OC)C1 1705919965 NOFSRDKOYWHFDT-DFQSSKMNSA-N 444.645 4.728 30 10 IJEE Cc1cccc2c(CCn3c([C@@H]4CCO[C@H]4C(C)(C)C)nnc3N(C)[C@@H](C)CC#N)c[nH]c12 1707634014 BEKRTUFQPKZMSM-QTGUNEKASA-N 448.615 4.968 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1722311551 HIQLEUHLCGRSTE-FQEVSTJZSA-N 439.947 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(Br)cc1 1722515394 KJQBCMZNLMBUBJ-GOSISDBHSA-N 433.394 4.580 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1722536489 FCIBDNPAFFISKZ-YDPRHXJPSA-N 446.636 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1722587681 XDGAMRFVYQDUJQ-GOSISDBHSA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722601846 XVYUTIGAWCXRHO-IPELMVKDSA-N 446.935 4.542 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC(CN2CCCCCC2)CC1 1722627289 KGMVAFWDYUHIQP-UHFFFAOYSA-N 429.653 4.621 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1722635752 VHDCTXJRWMYCBY-HUUCEWRRSA-N 438.439 4.512 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1c(C)noc1C 1722636404 IKSTXDXSILAMPV-ZDUSSCGKSA-N 430.350 4.738 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1722736074 WRNHIHGTHFLGOE-UHFFFAOYSA-N 431.009 4.504 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1Cc1ccc2c(n1)CCCC2 1723390571 HTMKIPMBJURYBJ-HSZRJFAPSA-N 436.604 4.608 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C1CCCCC1)N(C)C 1723773088 DHHWIKWTHIABLI-CYFREDJKSA-N 445.615 4.742 30 10 IJEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1727092088 FMIAUNKIHQNJFJ-OALUTQOASA-N 436.604 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 1740535888 WEZZRGNTQHLBGT-RXVVDRJESA-N 447.549 4.552 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C1CCC1 1740597431 TUDITMQJJJPSEO-PMACEKPBSA-N 427.593 4.532 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCN1CCC 1740600237 JNSJQWDUMBRDSL-CTNGQTDRSA-N 444.023 4.632 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC1C[C@H](C)O[C@@H](C)C1 1740678656 GRUGCJXATCOUMX-PMACEKPBSA-N 438.591 4.993 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1740751936 QBQRPQWDEUWOST-HTAPYJJXSA-N 446.542 4.709 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740812725 ITSCFQCFEQOWSA-VQIMIIECSA-N 425.791 4.836 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@H](O)C1 1740920590 RSDUAYBPQHFZLL-UNMCSNQZSA-N 426.580 4.894 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1741000245 NQLBEYWEIFBGTO-HXUWFJFHSA-N 439.585 4.551 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCCCC2)C1 1741007386 YHAZRMNBSYGKJX-WOJBJXKFSA-N 448.677 4.655 30 10 IJEE CCc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)s1 1744359764 HJXQQIWKPKNAIF-CVEARBPZSA-N 427.549 4.825 30 10 IJEE CO[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1748416204 HAGCQNOVUPIAMK-UWJYYQICSA-N 445.995 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H](OCC)C(C)C 1749063639 ASVQBOXITIINRR-JYFHCDHNSA-N 446.599 4.574 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CCCNC(=O)OC(C)(C)C 1749146941 SSQLRBWYYKHLST-UHFFFAOYSA-N 427.593 4.825 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749181467 HRQNDMBNRUVLAD-CQSZACIVSA-N 436.368 4.862 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2oc(CCC)nc2C)CC1 1749305059 CIODAUZBBGVLHD-UHFFFAOYSA-N 425.964 4.976 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC2CCN(CC)CC2)CC1 1749305950 YDDCINGTWCFSDL-UHFFFAOYSA-N 428.024 4.801 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1749408770 LHBUDZUKQVYZIP-JLHGSKIFSA-N 446.542 4.760 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC[C@H]1CCO[C@@H](C)C1 1749531610 NSGYGOFRPUMLGM-PMACEKPBSA-N 430.556 4.543 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC(F)(F)CO1 1749582345 JYBVMCFFDXVEQC-MRXNPFEDSA-N 440.947 4.826 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1749687429 RVEBLPVRPVMVSM-XZOQPEGZSA-N 447.583 4.593 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1C(F)(F)C12CCC2 1760097348 DAWMQGNTRONZOJ-XKGZKEIXSA-N 428.527 4.928 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1OC 1760103939 OISIQADZEMHQER-AWEZNQCLSA-N 445.386 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1760118888 PANCLAIQDHOMGV-UHOSZYNNSA-N 434.506 4.823 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1760129641 UJDAVIHHRZDAGK-HXUWFJFHSA-N 442.007 4.537 30 10 IJEE C#CCCCCn1c(N(CC)[C@@H](C)C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142506 DWTNBDIQLROASE-SESVDKBCSA-N 443.636 4.867 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCCC1(C)C 1760226335 CKHMIIBUVFHNAC-MZNJEOGPSA-N 426.630 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H](OC)C(F)(F)F 1760228893 WFKJDEJXKXEFQX-KDOFPFPSSA-N 440.535 4.558 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)(COC)CC1 1760317687 JCNOFSZNEIKPAO-PKTZIBPZSA-N 438.616 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C)cc1SC 1760339255 BPPLCVNRIFFHIN-UHFFFAOYSA-N 446.624 4.998 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1760392285 KXEZHDVEGZBYHL-SFTDATJTSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760409947 NRXOYJOMOKOWHY-KRWDZBQOSA-N 442.007 4.696 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1760437982 UVHVZHLXMLAWJE-OAQYLSRUSA-N 446.599 4.507 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1Cc1nccs1 1760479128 FDMURWVCRKEBTR-UHFFFAOYSA-N 447.955 4.563 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC=CCC1 1760485722 OHJOABVSZSBHKU-WMZHIEFXSA-N 428.602 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1ncc(C)s1 1760486506 QATVWPXGZFKEIX-HNNXBMFYSA-N 439.614 4.501 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760510697 KOMQPGHEOSIIKF-GOSISDBHSA-N 429.609 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCSC(F)(F)F)C1 1760538125 WDATZSCPNSXDPO-OAHLLOKOSA-N 432.899 4.633 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H](C)N2CCCCC2)C1 1760539410 NUGRBDSAPKMYBX-KNQAVFIVSA-N 444.023 4.644 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCCCC1 1761077637 DOOMYNLKAQKKPB-NHCUHLMSSA-N 445.652 4.658 30 10 IJEE CN(C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 1766891610 BBFIMTKERXZORW-RPLLCQBOSA-N 448.659 4.704 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1cccc(O)c1 1772718449 JCXXXFJACBHGHB-KRWDZBQOSA-N 449.454 4.557 30 10 IJEE O=C1Nc2ccccc2/C1=C1/SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 1772737731 RDHGZFROUWCBTH-BNKCDGJYSA-N 432.892 4.866 30 10 IJEE Cc1cc(C)c(NC(=O)c2nc(C(=O)Nc3cccc(C#N)c3)n3ccccc23)c(Cl)c1 1858242034 OAUKBHGRQDCSLM-UHFFFAOYSA-N 443.894 4.981 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc2nc(-c3ccccc3F)[nH]c2c1 1862092869 IVAZYSHNLPCXBV-QFIPXVFZSA-N 448.542 4.858 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccccc2)cc1 1862389664 KVLMBUJNFUMMSP-HSZRJFAPSA-N 429.520 4.573 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)cc2)cc1C 1862401203 VYORYTDAJSQKAT-ZFUCPZCZSA-N 435.520 4.866 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862460081 HNYAMYCRIHLPSO-IBGZPJMESA-N 448.397 4.781 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(OCCC)cc1 1862461759 MXFDRJTTWGMIOQ-HXUWFJFHSA-N 431.410 4.657 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)ccc1O 1862480335 DISVVYCTHOMKEP-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2cccc(O)c2)c1 1862554629 HKADXCWTISFHAC-TVQFERKRSA-N 444.531 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccccc1F)c1cccc(O)c1 1862590062 AJPSOOQCFPFXAG-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862619684 AMXLFNOSLAKBDE-JOCHJYFZSA-N 435.520 4.744 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862736308 XSPURKYUQSEEQN-HSZRJFAPSA-N 442.471 4.936 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 1863078376 LVENKFLTYVKNQO-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(SC)c2)=C(c2ccc(Br)cc2)C1=O 1863200944 JNOVKULIQACHIR-UHFFFAOYSA-N 429.339 4.549 30 10 IJEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863597075 SIHXKZASYBBVAY-UHFFFAOYSA-N 449.551 4.868 30 10 IJEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N([C@@H](C)c2ccc3c(c2)CCCC3)C1=O 1863693489 ZHZSRKRADQEGMU-IBGZPJMESA-N 444.575 4.971 30 10 IJEE N#Cc1c(NC(=O)c2cc(O)c3cc(Br)cc(F)c3n2)sc2c1CCC2 1866523553 DQXINXAGXFBIMR-UHFFFAOYSA-N 432.274 4.516 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1cccc(C#N)c1 1866659962 MSXFNLDOAGQKSE-OAQYLSRUSA-N 448.498 4.517 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)nn1-c1ccc(C)cc1 1869938418 JEHPLAWGKCWCQI-PMACEKPBSA-N 427.593 4.878 30 10 IJEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CN1CCc2ccccc2C1 1870367330 LXIBHWHRSTWLAU-UHFFFAOYSA-N 440.628 4.918 30 10 IJEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN(CCCC)CCCCCC 1870423605 DUZKCLTUARTDIJ-UHFFFAOYSA-N 434.621 4.795 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 1871395327 NTORLVOTFITXCU-IWIPYMOSSA-N 441.483 4.748 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871396289 ZDXGVYIXTOYAML-RANIVTSPSA-N 445.918 4.846 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)s1 1871443728 DODRIASKBBYLLS-VUQQOUJSSA-N 449.532 4.740 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872089384 NSRSTLVUJVOLLD-JOCHJYFZSA-N 432.561 4.762 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(C)(=O)=O 1872157787 ORWPOUUZIRHCIJ-XMSQKQJNSA-N 429.586 4.621 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872505868 ZGDMPMLSSFBSFU-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872551249 ORQZXJUDNLHJGL-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422943 XMPCFKXTORXQGE-UHFFFAOYSA-N 441.531 4.789 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCC)CCC)n2Cc1ccccc1 1873555128 LUUPARALMPMWBI-UHFFFAOYSA-N 431.584 4.920 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccccc1Cl)n2CCCC 1873577782 HFQANGKMHLLUFN-UHFFFAOYSA-N 437.975 4.993 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C)c1)n2Cc1ccco1 1873661841 FFKZJPLQCLLIFO-UHFFFAOYSA-N 427.508 4.812 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(N3CCCCC3)ncnc21 1873669358 UDEKWVAHLWZQDK-UHFFFAOYSA-N 445.445 4.759 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(O)cc1 1874207150 BUHKUJAOJXZRQZ-WSDLNYQXSA-N 443.370 4.887 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccn1 1874289568 LIJXSUADYINVOK-VULFUBBASA-N 449.511 4.574 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccnc2)c1 1874309879 RZRVHFISELLQLB-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874394924 ZFOUVAMTONHVRQ-CMPFEXHJSA-N 444.564 4.679 30 10 IJEE C=CCSc1nnc(C2CC2)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 1874521258 JZOKGEFCKJZKGI-KOEQRZSOSA-N 434.565 4.946 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2F)c1 1874573397 MBHKTHWXKFZSEH-BUHFOSPRSA-N 435.451 4.757 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)NCc1ccccc1 1874596146 OJYHMZFDYZZSNF-XYOKQWHBSA-N 433.479 4.734 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCC(N)=O 1874622841 YBFUGXCOLURWFU-BJMVGYQFSA-N 446.341 4.515 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1OC 1874694167 OTWBMNAUTSSAGW-ZRDIBKRKSA-N 447.443 4.656 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccccc1 1875149838 KDBMSBWCPFDIMN-CSKARUKUSA-N 432.428 4.548 30 10 IJEE COc1ccc(C[C@@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c2ccccc2)cc1 1892336994 WTRVGJQKVOVTMY-HHHXNRCGSA-N 440.543 4.963 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@](C)(O)c1cc2cc(Br)ccc2o1 1922052831 WXPFYSQHOPTKBB-FGZHOGPDSA-N 430.342 4.764 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CC(CNC(=O)OC(C)(C)C)C1 1942877782 IXCJAKCOKKKBOQ-UHFFFAOYSA-N 431.533 4.634 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C1(C)C 2015048452 OZOGXLISGHTGTP-QHCPKHFHSA-N 431.533 4.728 30 10 IJEE CCc1ccc([C@H](C2CCC2)n2nc(CC)c(/C=N/O)c2I)cc1 2079042012 CCYQMNBTACZQIW-IUOVYFEOSA-N 437.325 4.810 30 10 IJEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c(I)c1C#N 2080025616 QTWZAUJSESOTTI-AWEZNQCLSA-N 433.215 4.932 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1cc(Br)c(C#N)cc1F 2118151852 VIUKQYHVUGUSQK-PXAZEXFGSA-N 426.330 4.542 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(c2ccc(C#N)c(Br)c2F)C1 2118157771 ZZRHHPAAWWVKNL-QWHCGFSZSA-N 426.330 4.542 30 10 IJEE COCC[C@]1(Nc2cc(Br)cc(C#N)c2)CCCN(C(=O)OC(C)(C)C)C1 2162312554 JGQGFGPEIYYURG-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE C=CCn1ncc(Nc2ccc(NC(=O)OC(C)(C)C)cc2C)c(Br)c1=O 2162403082 PLABWDURGIKTAK-UHFFFAOYSA-N 435.322 4.591 30 10 IJEE CC(C)(C)OC(=O)NCCOc1cccc(Nc2ccc(C#N)cc2Br)c1 2162421811 ILAJNZDFKZGEBY-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3Nc1cc(Br)cc(F)c1C#N 2169560302 OARXZTCBAKTKTM-HDRMQBLTSA-N 436.325 4.516 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1N(c2ccc(C#N)c(Br)c2F)CCCC1(C)C 2184380902 MEBFEIDEMVMSBV-OAHLLOKOSA-N 440.357 4.980 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)c1c(NC(=O)OC(C)(C)C)cc(OC)cc1OC 2217399132 ZLAYRUGSVVLITM-QFIPXVFZSA-N 429.513 4.857 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2sc(C)c(C)c2Br)CC1 2237680257 MSHFLPTTZDGBJB-UHFFFAOYSA-N 440.212 4.921 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C(F)(F)C1 2264424967 WFSSEMOSKWGMDH-GFCCVEGCSA-N 434.256 4.516 30 10 IJEE C=CCCC1([C@H](N)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266304314 BZXCAZWNIUEQJZ-QGZVFWFLSA-N 425.367 4.661 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2267504708 WITSIDZGTQYPLJ-UHFFFAOYSA-N 444.381 4.691 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1csc(NC(=O)OC(C)(C)C)n1 2278724565 DVTQLEJSGXKSLN-OAHLLOKOSA-N 436.375 4.955 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 2296179732 ZCWAEYIXJAXSEZ-HXUWFJFHSA-N 447.362 4.757 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CCC12CC(CN1C(=O)OC(C)(C)C)C2 2296267786 WZUIPSAOXJMGGK-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(CN(C)C(=O)OC(C)(C)C)o1 2296299881 AEDNZKPUUVMBJK-GOSISDBHSA-N 433.346 4.721 30 10 IJEE C=CCC[C@@H](C)[S@](=N)(=O)c1cc(I)ccc1Br 2300851506 LRAJSDUEQITYQX-XLFHBGCDSA-N 428.133 4.814 30 10 IJEE CC1(C)OB([C@@H]2CCN(Cc3cc(Cl)ccc3I)C2)OC1(C)C 2303101150 GMBXMLWYYJPGNH-CYBMUJFWSA-N 447.553 4.613 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2OCCC)SC1=Nc1ccc(C(=O)O)c(O)c1 2314926100 AYJQIYFYNUFIGC-UHFFFAOYSA-N 438.505 4.669 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)C1(NC(=O)OC(C)(C)C)CCCCC1 2318890392 FYIMJEQOIIAMFM-DHIUTWEWSA-N 446.632 4.716 30 10 IJEE Cn1ncc(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1=O 2322630951 SOTIGYGNLOBZFE-UHFFFAOYSA-N 437.714 4.766 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C(Cl)(Cl)Cl)c3C)C2=O)cc1 2323034910 GNSVVMQYNQKGMD-UHFFFAOYSA-N 427.667 4.895 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 2323702204 WMMQXEUBAHFQEW-UHFFFAOYSA-N 434.404 4.987 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325628082 KMYAJTRBRQCZHY-AWEZNQCLSA-N 448.406 4.756 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2ccc(F)c(F)c2)c(Br)cc1OC 2325753392 NMUQSMMQWRDOPP-UHFFFAOYSA-N 425.225 4.947 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325808530 WFBLZASRWUDCBA-QFIPXVFZSA-N 430.589 4.638 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326733493 DGUYVQQSFBUFOJ-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccccc1C(=O)O 2327210706 LFCYVWGOOLYTQA-UHFFFAOYSA-N 438.553 4.681 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2327674448 ZOBLIALAEHHCEY-UHFFFAOYSA-N 427.961 4.737 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccc(O)c2)cc1 2329256894 WYSWBHMCZKMFGD-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCc1ccccc1 2329741128 IRPMBGWVGUUWMU-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1cccs1 2330625046 LXKBEMZLPCTNQG-UHFFFAOYSA-N 439.445 4.789 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 2330974823 XRHHOFQHBHCBPL-UHFFFAOYSA-N 448.431 4.512 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(F)cc2F)o1 2331078028 OMQJUMAJPIAAMT-UHFFFAOYSA-N 446.479 4.768 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331097030 ZILZPXMWMQLHOU-LJQANCHMSA-N 436.838 4.997 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1C 2331324266 BUSUFTVTFJIDDJ-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c(O)c1 2331548680 VBBXLZHMMMABDS-UHFFFAOYSA-N 432.908 4.924 30 10 IJEE COC(C)(C)C#C[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338366674 DKMUBZNLWSMBRO-SHQCIBLASA-N 445.559 4.634 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339544110 BASVLGZOGSVLGP-MJGOQNOKSA-N 443.397 4.784 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585548 QLNZYXRUHMHRNN-IBGZPJMESA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339594826 AKMUKVYTYHUHFF-GOSISDBHSA-N 444.381 4.751 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]1[C@H](C)NC(=O)OC(C)(C)C 2360197856 WVZWKEDCVNGVFV-QLIIJSOBSA-N 435.406 4.718 30 10 IJEE CSC1(C#C[C@@H](OCCCN)c2cc(Br)c(Br)s2)CC1 2361284183 FMOKDXQERVZBCL-LLVKDONJSA-N 439.238 4.579 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2362762526 FJSYNORIOLLMCM-RBUKOAKNSA-N 437.378 4.558 30 10 IJEE CC(C)(O)C#Cc1ccc(CN2CCOc3ccc([C@@H](O)C4CCCCC4)cc3C2)cc1 12245576 GJZYHVRLDIUFGN-MHZLTWQESA-N 433.592 4.817 30 10 IJEE O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Br)cc2)/C1=C(/O)c1ccccc1 103113686 DIDIEVUXBIJBPG-SCDSTIRESA-N 441.306 4.532 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929419 OBMPYPKXOBLEHF-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 169972538 OEWRLNNNXBWNAU-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1ccc2c(c1)CCO2 169984037 LTWCWNQBYRMOIL-FQEVSTJZSA-N 439.439 4.744 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)s1 169994711 VUPDSZYGWHVADO-SFHVURJKSA-N 439.924 4.900 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 170034140 XJGWCBVPUPSIRH-XMMPIXPASA-N 447.531 4.931 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2)cc1 170113625 SVMWCRAUTLLURX-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 170131508 XBOFXHGMDDYGDY-JOCHJYFZSA-N 428.419 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)cc1C 170133571 BZFZDVZFNZBYDK-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(O)cc1 170134084 VWTZYESCPRGJTA-NFBKMPQASA-N 449.547 4.755 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170257679 UFPQSGWBDCZZMZ-QFIPXVFZSA-N 428.419 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)cc1C 170296840 CYJWARWTEBOXPA-JOCHJYFZSA-N 435.451 4.557 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C)o1 170306907 GMDCEKSNCMYZCN-LJQANCHMSA-N 427.840 4.622 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(C)o1 170311278 KFTKFLFHCBBNCJ-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@@H]1c1cccnc1 170481710 GAYPUPNOPKZMCA-GOSISDBHSA-N 445.903 4.999 30 10 IJEE Cc1cc(C)cc(NC(=S)NN=C2C(=O)N(Cc3ccccc3C)c3ccccc32)c1 254397322 GKVDYYYJDOFMKC-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE COC(=O)/C=C1/SC(=Nc2ccc(F)cc2)N(CC23CC4CC(CC(C4)C2)C3)C1=O 254848723 LSJAROGZFWCOLX-GIGLVCIUSA-N 428.529 4.662 30 10 IJEE N#CCOc1ccccc1CNc1cc(Br)ccc1I 312807012 RHOSJSHVHZTUAQ-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 431732432 FDLWKRJIAPOVAI-CQSZACIVSA-N 441.875 4.757 30 10 IJEE N#Cc1csc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 469766874 XWLZGBQFMPRUOM-AWEZNQCLSA-N 434.361 4.871 30 10 IJEE C=CC[C@H](CO)NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482344328 JLJNWKYELOMLQT-VXGBXAGGSA-N 438.290 4.564 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 482394986 HIGUCGVOKLVSSK-KRWDZBQOSA-N 429.345 4.874 30 10 IJEE C=CCn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508506844 GQTYJHLCVAWLGR-FQEVSTJZSA-N 427.980 4.658 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 526489880 UCRKJLJBNXJECE-HSZRJFAPSA-N 441.443 4.922 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@@H]1c1ccc(C)o1 526607978 BBYOCBUOKXEPMO-JOCHJYFZSA-N 430.460 4.924 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccccc1C(=O)O 526818080 PTVNBBAYJZJZEQ-KSEXSDGBSA-N 432.908 4.896 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(Br)c1 526828384 CBBLSSFOIBWIJB-JAIQZWGSSA-N 446.330 4.686 30 10 IJEE CCOC(=O)c1c(NC(=O)Cc2cccc(C#N)c2)sc(C(=O)Nc2ccccc2)c1C 530913862 NZKZVTXJYFAAEP-UHFFFAOYSA-N 447.516 4.538 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 555255244 ACPXUPCCGWFLOS-SANMLTNESA-N 430.552 4.597 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CO)c2ccc(Cl)cc2)cc1OCC 573048515 HFHBEVQDURAKSQ-SFHVURJKSA-N 440.765 4.889 30 10 IJEE COc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256925 SNQWQQMHNIEKSC-UHFFFAOYSA-N 436.533 4.750 30 10 IJEE N#Cc1ccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)c(F)c1 612627836 BENXCPXRWMPCEA-INIZCTEOSA-N 444.226 4.953 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 619819369 WCAJZBPVCOBWNA-ZHRRBRCNSA-N 425.895 4.562 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(F)c(F)c1)[n+]1cc(O)cc(Cl)c1 738014250 QSYJBZWNBNCFNK-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 792227741 BWXNOAHSCHKNFU-RPBOFIJWSA-N 427.504 4.654 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(c2ccc(F)c(F)c2)CC1 812180673 NKAXWXNFMJTUJX-UHFFFAOYSA-N 444.917 4.565 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(C)nn(CC2CC2)c1C 1125672912 XTXPSGWWNXBFAX-UHFFFAOYSA-N 434.353 4.569 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 1126052859 CMPKMLWLNCXDLV-IUODEOHRSA-N 444.354 4.765 30 10 IJEE C=CC[C@@]1(C(=O)OCc2ccn(-c3ccc(F)cc3F)n2)CCCN1C(=O)OC(C)(C)C 1128573161 GMRJPSFKDZOKGF-QHCPKHFHSA-N 447.482 4.540 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Br)c(Cl)c1)c1ccc(Br)cc1 1129730303 FLSIBJFGAQAOAX-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE C=CCCSCCNC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 1130678506 FISNJMLPBPMBQS-UHFFFAOYSA-N 447.398 4.669 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)c1ccc(Br)cc1 1136169366 JYJSACNYKWRSMY-OAHLLOKOSA-N 431.758 4.838 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 1136177621 URBCEYLHNLUYQC-NRFANRHFSA-N 426.488 4.650 30 10 IJEE C#CCN(C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1155366622 BTGRCYCERLRLSY-ICSRJNTNSA-N 448.966 4.834 30 10 IJEE C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1156782541 KRRHNAISNSVHLK-HXUWFJFHSA-N 426.582 4.670 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@]2(C)C(C)C)c1 1161141777 HTHSCFQRVHLZFF-JTHBVZDNSA-N 447.000 4.886 30 10 IJEE Cc1c(S(=O)(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)sc2ccc(C#N)cc12 1192405098 AHHLJOBGIIJGGX-MRXNPFEDSA-N 445.997 4.540 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c(C)c1F 1209238194 HYZJHWKGAHJQFR-UHFFFAOYSA-N 442.487 4.857 30 10 IJEE COc1cc([C@@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)ccc1OCCC(C)C 1220967755 BNOGUZYSHRFYSD-GOSISDBHSA-N 437.540 4.526 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)CC1 1221800826 ZMBWQPDOWDVAJY-NRFANRHFSA-N 442.604 4.601 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C)c1ccccc1 1224388504 NYCRXDYRYLMAFD-BAGYTPMASA-N 427.589 4.866 30 10 IJEE C#Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(OCC)cc2)c1 1264331029 CTXMYIYRZVTXHH-UHFFFAOYSA-N 444.516 4.638 30 10 IJEE CCC[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1cccc(Cl)c1 1264914723 AGBKWUPVEMUZJI-NRFANRHFSA-N 432.955 4.992 30 10 IJEE CC(=O)N[C@@H](CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)c1ccc(C)cc1 1276765989 GOQBYKWLNJRNHT-IERDGZPVSA-N 431.458 4.522 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C)C1 1286316430 KRAIPCIZUQBPRJ-RTBURBONSA-N 428.602 4.562 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@H](SC)C1 1286336336 IYLWAGFGZRSKDC-QFIPXVFZSA-N 426.630 4.999 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccc1C(F)(F)F 1286440694 IFFGBJBZVMSQRR-UHFFFAOYSA-N 433.865 4.715 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1286535619 DGPMKQXRDPIAIU-UHFFFAOYSA-N 440.267 4.837 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CCSC 1286560933 KKHUZRNBEJAEQS-SVMVAKDDSA-N 439.629 4.985 30 10 IJEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1286608809 AVJSSVMMUFAVMR-UHFFFAOYSA-N 445.611 4.723 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(Cc1cccs1)C(C)C 1286632121 GDBNCHDPHWPEJC-UHFFFAOYSA-N 426.977 4.746 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCCO1 1286690860 XASQRNXYMUBJCK-UXHICEINSA-N 447.624 4.712 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@H](CN3CCCCCC3)C2)cc1 1286795408 AUYSAYIFABVHCI-HSZRJFAPSA-N 437.632 4.546 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)[C@H](C)C2)cc1 1286796174 IHKYYTUPJGZTFZ-DAVBRLECSA-N 438.616 4.902 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCOC1)c1cccnc1 1287155108 AEKWAGKZSPQNQK-URXFXBBRSA-N 444.583 4.514 30 10 IJEE CC(F)(F)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC#N)CC1 1288743899 AELXXUPKSHARLM-UHFFFAOYSA-N 425.430 4.722 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCCCC2)c1C 1289092392 GZZZUHAVBRTCED-DENIHFKCSA-N 438.620 4.507 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)c1C#N 1298925599 HRBRNSUNMZQGOT-LJQANCHMSA-N 434.609 4.585 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1300287236 WKSWZLQINWUWJQ-UFYCRDLUSA-N 428.024 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1sccc1Br 1300292124 ISVBHMLEQJPZTC-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](F)c1ccc(Br)cc1 1300299230 MJRYKMBKGBPMDT-MAUKXSAKSA-N 442.336 4.580 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1COCC 1300441641 VINWLZNKWIQTLV-GOSISDBHSA-N 434.609 4.786 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cscc1C 1300548314 ZEUWGWIYQFYHLH-UHFFFAOYSA-N 426.998 4.715 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1ccc(F)cc1 1300565720 WAVCKAZTAGOZMK-UHFFFAOYSA-N 435.934 4.573 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCc1ccc(Cl)s1 1300591040 JXPCRPANKVIAQH-UHFFFAOYSA-N 447.995 4.702 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1300768624 UZTQRWJLEITRKS-IBGZPJMESA-N 436.547 4.599 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCCCCCO 1300789329 HOMSFRCQPALPKN-JOCHJYFZSA-N 445.405 4.561 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccco1)N(CC)CC 1300808492 NEEVDOOJCMWLIS-ATIYNZHBSA-N 449.574 4.676 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C)[C@@H](C)C1 1300843396 AUXKYMBFBPSHFG-GJZGRUSLSA-N 442.361 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1300871127 XJZYJYSSQWSACD-WQDJSCAQSA-N 445.405 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300901639 PTVTYABZFFUTJC-REWPJTCUSA-N 430.980 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1301152173 VQPYYVAQYQRBOS-UHFFFAOYSA-N 433.641 4.820 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1301176458 APBVZRKVUXPQGC-GOSISDBHSA-N 426.590 4.543 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2cccs2)CC1 1301178887 UMKWCMCXSAWTLA-UHFFFAOYSA-N 437.613 4.694 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H](C)C#N 1301601896 UBVNYLLPKWWWCL-CQSZACIVSA-N 434.407 4.531 30 10 IJEE C=CC[C@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 1307161423 XXSCIGRCANTHHF-SFHVURJKSA-N 429.542 4.805 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1[C@H]1CCC(=O)N1 1311065740 ZHBNCDSKUXEPRG-LJQANCHMSA-N 446.320 4.759 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 1311249361 GQVBPDAZNQATMZ-UWJYYQICSA-N 430.932 4.901 30 10 IJEE Cc1ccc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(O[C@H](C)CC(C)C)c1 1312292013 CSMACOOVUOFGNS-RDGATRHJSA-N 448.611 4.728 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C#N 1313516446 BECKAZCSOJHHPR-KRWDZBQOSA-N 430.512 4.519 30 10 IJEE CCOC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1314043514 GPCJGKVVJMYEIW-IBGZPJMESA-N 425.577 4.590 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1314796457 COEQATXWRFXUSE-XMMPIXPASA-N 435.597 4.802 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)C(F)(F)c1cc(Cl)ccc1OC 1349067432 MXMRJSBOFYVGJV-UHFFFAOYSA-N 440.826 4.570 30 10 IJEE C=CCN(C(=O)[C@H]1CCN(Cc2ccccc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350013049 RRDOSWARWKDWJL-FQEVSTJZSA-N 448.548 4.759 30 10 IJEE CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cc2)cc1 1351915027 FNOZHVLCCLEDDW-BJKOFHAPSA-N 425.488 4.951 30 10 IJEE C#CCN(C(=O)CCCOc1cccc(F)c1)[C@H]1CCOc2ccc(Br)cc21 1353634156 KMRYMBKAYQBASU-FQEVSTJZSA-N 446.316 4.733 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 1358007729 XHUCBZXALICHCM-KRWDZBQOSA-N 436.870 4.640 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(Br)cccc3cn2)cc(OC)c1OC 1358055829 HANIJZPRKHNEAM-UHFFFAOYSA-N 441.325 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C\c1ccccc1 1358887749 BLAWEOWLDWQIGE-YYBHEGAOSA-N 449.599 4.564 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1358909586 KQHUQUWPORPRLK-QHCPKHFHSA-N 449.986 4.747 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nc(C(C)C)cs1 1358942123 KCCAKJVOSOORGW-HNNXBMFYSA-N 425.627 4.829 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)CCC(C)C 1359071107 DKLUVPPIKJAZTB-DNQXCXABSA-N 429.008 4.702 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359205685 GVYYZSFEYKPPMX-NQIIRXRSSA-N 430.980 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1359262747 CSPYIFSXCMQZTL-INIZCTEOSA-N 431.606 4.665 30 10 IJEE CC(C)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccnc1Oc1cccc(F)c1 1359695234 FZSPLFJWBNYHHW-UHFFFAOYSA-N 434.519 4.906 30 10 IJEE C#CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1435174639 HCZRBLRQLUYOCG-INIZCTEOSA-N 449.688 4.610 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1443089396 DTWRPFDSKKJKCA-HXUWFJFHSA-N 446.334 4.574 30 10 IJEE C[C@@H](N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1)C(F)(F)F 1457062683 BSCJNWUXEMJCRC-CQSZACIVSA-N 437.849 4.713 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c1 1457515706 HTOZCBPOZNMGCK-UHFFFAOYSA-N 438.575 4.817 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Oc1ccc(Br)c(C(F)(F)F)c1 1460943642 BUKGIQMMRBBEBE-UHFFFAOYSA-N 443.219 4.595 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)(C)C 1462857705 GHOWVJHTCSSXCP-FQEVSTJZSA-N 444.575 4.908 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1 1465628807 XPOSLBBJMAISKZ-LJQANCHMSA-N 428.330 4.570 30 10 IJEE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1ccc(C#N)c(F)c1 1466772771 GBHGAFJECBGGEQ-NHCUHLMSSA-N 438.503 4.741 30 10 IJEE C#CCN(C(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1467901778 AFGUZSBBDLKLQL-HXUWFJFHSA-N 433.980 4.835 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1468755268 MIMWRFRXOLHVOE-NRFANRHFSA-N 445.966 4.850 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1470490670 NWTDHSSRLSQORS-BKMJKUGQSA-N 441.616 4.997 30 10 IJEE C=CCn1c(SCC(=O)COc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 1472928932 GYOCOYDDRQDETM-UHFFFAOYSA-N 446.981 4.526 30 10 IJEE C[C@@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1C(F)(F)F 1475027689 HBJNAFFBCGOTKF-SECBINFHSA-N 431.329 4.783 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C)c1)c1ccc(Cl)cc1 1475960043 NFVXRHGWVAPOOV-OAQYLSRUSA-N 436.899 4.507 30 10 IJEE C=CCN(C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)[C@H](C)COC 1478157358 BSMHVZLVMWHCTE-KGLIPLIRSA-N 438.391 4.866 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCN(c3cccc(C(F)(F)F)c3)C[C@@H]2CCC)cc1 1478671456 FYURFFLOUPBYHC-QFIPXVFZSA-N 429.486 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1CC 1507545997 HVYBOPKWSHEKKL-YRPNKDGESA-N 429.609 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(OC)cc1C(F)(F)F 1507673200 PBXDPXNSPYQMRB-UHFFFAOYSA-N 444.501 4.549 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1507784785 KEZSMOKJVJKEPF-MRXNPFEDSA-N 447.377 4.846 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCCOc2ccccc2C)nnc1C(C)(C)C 1507808774 HTHMRYOAFZWPQG-IRLDBZIGSA-N 426.605 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1noc2c1CCCC2 1507821907 MJZFQTIJAWUXFQ-UHFFFAOYSA-N 435.572 4.791 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)C1[C@H]2CCC[C@H]12 1507838537 CYISLCXLLJQNEF-KBPBESRZSA-N 437.407 4.597 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1507927590 ZDCDFOHXJVFQKB-YZGWKJHDSA-N 432.515 4.764 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C=C)CC1 1507959028 LCZSJEHMSWRTND-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN1CCC 1508007425 BSELJUQQGHASKY-FPOVZHCZSA-N 429.634 4.648 30 10 IJEE CC(C)(C)c1cc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)n(-c2ccc(C#N)cc2)n1 1521185229 FTRNQHGVPJESKT-IBGZPJMESA-N 441.535 4.571 30 10 IJEE C#C[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)c1ccc(F)cc1 1525024785 GDSODYFUYZTYSW-NRFANRHFSA-N 430.310 4.968 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 1526399220 ZOSNDGGDGPMUHU-UHFFFAOYSA-N 426.460 4.755 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cn(C(C)(C)C)nc2Br)c1 1527974903 KFBBFHSOSGWKFT-UHFFFAOYSA-N 426.314 4.822 30 10 IJEE C=CC[C@H]1N(C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CCCC1(C)C 1530837940 CYRFLJREPNVWQM-QFBILLFUSA-N 433.390 4.704 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cc1Cl 1537758404 COHDAWUGDQKUDK-IBGZPJMESA-N 449.869 4.678 30 10 IJEE C#CCN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C1CCN(C)CC1 1538520169 RVCFHLVQKWOBOK-UHFFFAOYSA-N 435.618 4.758 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCc3c(C)nn(Cc4ccc(C)cc4)c3C)cc21 1538955959 GLQLBLNWXJGCCS-UHFFFAOYSA-N 427.552 4.964 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539095469 DFVODQHBNOBXNO-SANMLTNESA-N 431.584 4.857 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cc2csc(CCC(F)(F)F)n2)cc1 1539196899 BSESZLDSLJHDCV-UHFFFAOYSA-N 426.460 4.829 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCC=CO1 1539566685 NIQXIVCCYIZZEX-QFQXNSOFSA-N 434.584 4.974 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(CC)c1 1539734660 BBISSVYJZHBFIE-UHFFFAOYSA-N 436.604 4.688 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539742868 MQVBOCYWIONEPU-QGZVFWFLSA-N 447.505 4.808 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2Cc2c(CC)nn(C)c2CC)CC1 1539881725 HZIZRLFMHVRIAN-UHFFFAOYSA-N 439.007 4.908 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](CC)C1 1540034298 ZOBYDLNGZIKARH-IBGZPJMESA-N 439.585 4.525 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1sc(C)nc1C 1540047709 KMZPNGIZTSJHCD-MRXNPFEDSA-N 427.574 4.561 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)c1nc(C)cs1)C1CC1 1540101815 MPZDXCYFRHOOOO-HNNXBMFYSA-N 439.585 4.686 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)C=C)nnc1-c1ccc(Cl)cc1Cl 1540114180 JRTGUCNLJUHRED-UHFFFAOYSA-N 425.385 4.858 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1SC 1540184768 HTUHDHSAWQELNU-UHFFFAOYSA-N 448.596 4.585 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](OC)C1 1540910050 VZUFZDMGGSLKDV-VQTJNVASSA-N 430.618 4.569 30 10 IJEE Cc1ccsc1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](F)(C#N)C1 1542068080 GAXQQHXRQFKVQW-HXUWFJFHSA-N 433.915 4.792 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 1542132524 ONBWYLMMXWHIKG-APWZRJJASA-N 449.979 4.676 30 10 IJEE CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC#N)SC 1545772488 BQXNPXBROALAEU-KRWDZBQOSA-N 437.617 4.995 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(N(CC)CC)cc2)n1-c1ccccc1C 1559319324 ONQNFZPSBPIDRJ-LJQANCHMSA-N 449.624 4.872 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3)C(=O)OC 1559328496 CYARKQHTFZWBHN-MRXNPFEDSA-N 426.563 4.536 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1C(F)(F)F 1561513224 AASBHXPODSSHIK-CTYIDZIISA-N 448.388 4.820 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CCCC1(C)C 1586319962 NIMBVTSFNUAROP-SFHVURJKSA-N 427.010 4.624 30 10 IJEE C=CC1(CC(=O)N(CCC)[C@@H]2C[C@@H](OCC)C23CCCC3)CN(C(=O)OC(C)(C)C)C1 1586443676 CVTCDRVMPNOTJX-WOJBJXKFSA-N 434.621 4.776 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cc(Cl)ccn1 1587817743 FKPPOFHCPQTHLY-UHFFFAOYSA-N 431.874 4.645 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@@H](C)C1 1588089643 MARPXUUXOOBUMA-NFBKMPQASA-N 425.580 4.862 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccccc1C(C)C 1588200355 MOOPRQFCXACFKO-UHFFFAOYSA-N 447.970 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)CC 1589207879 RQHVVJZWNUBSFZ-UQBPGWFLSA-N 443.636 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC(F)(F)Br 1589687630 JUVWOJINXMLRLE-UHFFFAOYSA-N 443.336 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1594484319 QHNYNWQGXBWHRR-UHFFFAOYSA-N 434.544 4.838 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(CC)C1 1594727207 LUCPXOHPGKYUBQ-CYFREDJKSA-N 431.625 4.985 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCC[C@@H]1OC 1595275870 RFPGCDDIBBWUAT-PMACEKPBSA-N 444.645 4.729 30 10 IJEE C[C@@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1612705647 CNPZWKOFDJFLDT-BXUZGUMPSA-N 429.368 4.719 30 10 IJEE Cc1cc(C(=O)COc2ccc(C#N)c(Cl)c2)c(C)n1C[C@@H]1COc2ccccc2O1 1613720570 FPRAFMTVTMKECO-LJQANCHMSA-N 436.895 4.732 30 10 IJEE C=CCOc1ccc(CC(=O)N2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc1 1616823767 KBKXBOGMKCJLFQ-OAQYLSRUSA-N 436.552 4.667 30 10 IJEE C#C[C@H](C)NC(=O)c1cc(F)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 1617307227 NGERFZFGPAVBPM-INIZCTEOSA-N 428.463 4.938 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 1627242599 BYRAIKKNUCXULD-GOSISDBHSA-N 432.973 4.736 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2n1 1627664672 XYSCGYFWFISRRY-OAQYLSRUSA-N 435.528 4.610 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 1630930072 FIHNTQNQHRHMKV-FQEVSTJZSA-N 433.508 4.855 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2nnsc2Cl)c1 1634160659 LCDQTZBGCCWZNY-CYBMUJFWSA-N 443.356 4.833 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1 1636157953 HDQHWGFQXXFJGV-HXUWFJFHSA-N 431.561 4.889 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1637757017 FUUUCROVSPIFQH-QGZVFWFLSA-N 439.865 4.744 30 10 IJEE C=CC[C@H]1N(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CCCC1(C)C 1639766801 YKZQZKSFRPOSKP-CJAUYULYSA-N 426.420 4.930 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccccc1 1640208866 XJLOCDAMVXJEDN-SSEXGKCCSA-N 426.538 4.838 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(C#N)CC1(C)C 1641778820 LHFYCRNXJHHFAT-HOFKKMOUSA-N 443.547 4.668 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)ccc1OC 1656487372 GNWZTUFCDWIIJK-FQEVSTJZSA-N 446.494 4.537 30 10 IJEE C=CC[C@@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[nH]2)C1 1659574074 FCGKZVNJCLKLHK-QGZVFWFLSA-N 436.581 4.560 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl 1659604953 WSGDVKMXQXZQJX-UHFFFAOYSA-N 431.678 4.998 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(-n2cnnn2)ccc1C)c1ccc(C(F)(F)F)cc1 1665951517 YEIHQOQXBARKIS-GOSISDBHSA-N 430.434 4.819 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC(c3nccc(-c4ccccc4OC)n3)CC2)c1 1667082720 GYWJMKKHQGWVTG-UHFFFAOYSA-N 442.519 4.576 30 10 IJEE CCCOc1ccc(O[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 1667224068 GNBRTPJCBBEHBL-SFTDATJTSA-N 448.972 4.669 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCc2cnn(CC(F)(F)F)c2)cc1 1670053451 BPTICBLGRJVWBT-UHFFFAOYSA-N 431.443 4.790 30 10 IJEE CC(C)(C)OC(=O)N1CC(CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1671437849 FVFLGWRCSGPYNF-UHFFFAOYSA-N 438.553 4.698 30 10 IJEE C#CCN(C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@H]1CCCc2ccccc21 1675385638 SYJGIXCAUKTANR-IBGZPJMESA-N 439.441 4.831 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 1678964415 FUCMPBJMMVAKNG-YADARESESA-N 428.536 4.882 30 10 IJEE C#CC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 1680515634 RLHDCAYSNGSIKX-MOPGFXCFSA-N 430.335 4.553 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1 1682361687 LKCUMTWKKQBYAD-INIZCTEOSA-N 427.220 4.521 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Br)c(C)c1)c1ccc(Br)cc1 1683200101 MLYSUJCQCMTPMR-KRWDZBQOSA-N 436.147 4.694 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)C1 1689903954 FKFJFVYGSAFIKL-HNNXBMFYSA-N 439.412 4.909 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1689934460 XDBHNWAVRIFJIM-SFHVURJKSA-N 425.627 4.747 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(OC)C1CC1 1690003717 VRLMLXPUFWSCMQ-HSZRJFAPSA-N 438.984 4.701 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)c1ccccc1 1690186034 KVWFNRSAPHIIGL-CEMLEFRQSA-N 440.657 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](COCC)C1 1690240983 NBMDZBQAXHFMGL-FVJLSDCUSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690251359 TXLNPOXWPOCDAY-NOCIGQNYSA-N 440.535 4.546 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1csc([C@@H](C)OC)n1 1690272909 YOVGCFADWHFPJQ-BHIYHBOVSA-N 447.649 4.811 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1690319641 TZFHZBZBHQUTEX-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCCS2)CC1 1690414806 LDFHLFNXFKDOBE-QFIPXVFZSA-N 426.630 4.760 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690470497 CWRORGHUFAQESB-SJLPKXTDSA-N 435.494 4.748 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1690508094 AVVOMSHNYMPPEH-UHFFFAOYSA-N 426.605 4.852 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1CC 1690524013 WVLAHBSHAPYPJF-MOPGFXCFSA-N 434.588 4.514 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)C1CC1 1690547028 SAODVDLTQDOFGR-HXUWFJFHSA-N 439.604 4.635 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@@H]1C(=C)C 1690556184 OTWUYXAOZDYIER-ZJSXRUAMSA-N 445.567 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1nnc(C)s1 1690586155 GHZRSKROVBDTJE-OAHLLOKOSA-N 440.642 4.712 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCCC[C@@H]2C1 1705509608 IEMHTZXIYZOZIS-DHIUTWEWSA-N 435.616 4.513 30 10 IJEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)C1CCCCC1 1705515072 SFBNGNHLQRTYIO-SFHVURJKSA-N 432.572 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1705693439 GPWMHRXZFQGQBY-UIFIKXQLSA-N 448.970 4.753 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705731563 XBZJMVDJHPMQFV-GMAHTHKFSA-N 448.615 4.660 30 10 IJEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@H]2CC2(F)F)CC1)c1ccccc1 1705741018 DILJXPBAMHQACA-GHTZIAJQSA-N 446.542 4.587 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(CCOC)CC2)CC1 1705764518 BRDZMVCHGHVMNW-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC)Oc2ccccc2F)CC1 1705783701 QVMGCPSENXKYJI-NRFANRHFSA-N 435.547 4.663 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC2(CCC2)C1 1705800115 OTESTWDIDCSCFB-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705948955 JQTZLLUZWKEVMC-SFTDATJTSA-N 437.613 4.664 30 10 IJEE N#CCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC2CCOCC2)CC1 1712886039 GQNCDBYKEUULNC-UHFFFAOYSA-N 427.980 4.935 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 1722323377 TVPKFTMSVYLJHE-PMACEKPBSA-N 429.609 4.780 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1722339128 WPLYPBRFFYFTEJ-PKTZIBPZSA-N 436.600 4.671 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCSCC(F)(F)F 1722356301 WASMSWJAXOALPZ-UHFFFAOYSA-N 440.535 4.520 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC)C1 1722454954 OZGFBJUCAUBHFK-AWEZNQCLSA-N 439.448 4.762 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@]2(CCCOC2)C1 1722480410 QHVLKVSOCYPZLE-LJQANCHMSA-N 437.769 4.514 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccsc1 1722503588 WUVSPKIXVUTKAT-AVRDEDQJSA-N 442.560 4.675 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1722533840 CKAHCIVDUBISHU-HXUWFJFHSA-N 439.629 4.665 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CCc2cccs2)CC1 1722582350 LAUVHAAPUZZWLC-UHFFFAOYSA-N 438.597 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722589532 SFRXNKQKTGJPSL-UHFFFAOYSA-N 445.633 4.590 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(OC)c(C)cc2C1 1722605406 GMXSSYGENOSYFP-UHFFFAOYSA-N 437.613 4.870 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C2CCCCC2)CC1 1722621600 ZKEYBKADOPNASW-UHFFFAOYSA-N 437.632 4.840 30 10 IJEE CC(C)c1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)cs1 1722866583 BOADGJJORBJQMW-MRXNPFEDSA-N 443.020 4.941 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@H](C)N1CCCCC1 1740534415 HLWKYVVVLAMBFH-FUDKSRODSA-N 437.632 4.757 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@H]1OC 1740648576 MQQAYWFUBSNXEK-OXQOHEQNSA-N 431.367 4.530 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(CC)Cc1cccs1 1740713531 HVKOOVKFPZIPLP-UHFFFAOYSA-N 433.606 4.948 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740719698 QDQQNANGDQYWNV-FQEVSTJZSA-N 447.048 4.673 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1740747265 CPRPGXNPHNFAIK-MAUKXSAKSA-N 425.415 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCc1ccc(Br)cc1 1740776195 RIKQZYLBHKWXDX-UHFFFAOYSA-N 440.389 4.672 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1 1740779104 OIKGODKCLUPQIQ-NRFANRHFSA-N 435.547 4.978 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H]1CC=CCC1 1740787737 ISSGYKNFTYFPPV-HXUWFJFHSA-N 432.572 4.720 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC(C)(C)[C@H]1C 1740807545 FEPLQEDOKSFDRP-GFCCVEGCSA-N 443.748 4.603 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccsc2)CC1 1740842586 FOUPZCAZXGJVRO-KDURUIRLSA-N 443.617 4.561 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1740860159 WTRARTJLLMZOLE-UHFFFAOYSA-N 444.645 4.612 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740869872 CLJGDPVUGXLTQM-RTBURBONSA-N 440.588 4.954 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nc(C)c(C)s1)C1CC1 1740913660 QPJSOUDHZVLOTM-UYAOXDASSA-N 429.634 4.668 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC[C@H](C)N1CCCCC1 1740918578 MGBSAGUKUMXYMG-LADGPHEKSA-N 437.632 4.977 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCSC[C@@H]1C)C(C)C 1740926798 LBPHBSYHBYQMRB-UNMCSNQZSA-N 425.646 4.585 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H]1CC 1740995657 TXKUJFCDSMPDTG-FXAWDEMLSA-N 427.618 4.691 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2ccco2)c(C)n1 1745483547 GRIUEUZETHRKMF-IBGZPJMESA-N 443.555 4.961 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N(C)C1CCC(C)CC1 1749046976 MATAOLIAVSHZKT-UHFFFAOYSA-N 426.630 4.801 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1749064538 AEDQTGUEXUCMRQ-RUZDIDTESA-N 435.572 4.737 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1nc(C)cs1 1749080610 QMIDDZUZHHCHMR-AVDZWTPASA-N 441.645 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1ccc(Cl)cc1 1749127785 PFWXDVAVLRZJFG-RXVVDRJESA-N 430.980 4.695 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC2(CC2)C1 1749217051 YMUIXEHLABYXGM-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749257016 GWSIQGBZDHJJIJ-UHFFFAOYSA-N 441.963 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(F)cc(F)c1 1749373822 VVMOATFFOCGBAB-UHFFFAOYSA-N 428.531 4.657 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C 1749375587 DTQATQNPBLQYIE-ROUUACIJSA-N 430.618 4.798 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1749424713 OKBCREQMUGHNDD-OAQYLSRUSA-N 441.938 4.985 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)c1nccs1 1749591490 SNYRAOKSVCPGOS-QGZVFWFLSA-N 434.569 4.737 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1749627756 XVDSNZBKOSFSLS-RTBURBONSA-N 429.609 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](OC)C(C)C)C1 1749700935 OKFGYBNSWVGHGV-APWZRJJASA-N 439.387 4.704 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCOC1CCCCCC1 1760102982 WHNMLFKLGKBKCB-QGZVFWFLSA-N 432.515 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCS1 1760123411 FONTZZGFGHLOFD-DZGCQCFKSA-N 425.385 4.517 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760149581 OAMFVITWHKBGNM-NRFANRHFSA-N 430.600 4.774 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H](C)CN1CCCCC1 1760240647 XVVZVPVCPLBOQD-SFTDATJTSA-N 425.596 4.693 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCN2CCCC)CC1 1760390408 FNSKYDJNJFRBCP-JOCHJYFZSA-N 425.596 4.819 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCCCO2)CC1 1760399558 QQQGPRJUZDOABD-QGZVFWFLSA-N 449.368 4.818 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1760425452 MMGYHYCHOPLNKV-QHCPKHFHSA-N 429.653 4.968 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccnc1)C(C)C 1760480855 HIIMWMWEFHFDAZ-ZEQRLZLVSA-N 431.584 4.809 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccnc(OC3CCCCC3)c2)C1 1760535671 VIMQQNLDKFGIJG-DENIHFKCSA-N 439.604 4.728 30 10 IJEE CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1761299303 ARSLTEVUUYOZFJ-SFHVURJKSA-N 429.515 4.646 30 10 IJEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1767325368 AAZNVSNRUMTVDL-WOJBJXKFSA-N 427.618 4.742 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cc(N2CCOCC2)ccc1Br 1772565024 KMABWTRSHCJUHV-UHFFFAOYSA-N 444.373 4.548 30 10 IJEE O=C(/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860724361 HTPGNXLYSUGAKN-JLHYYAGUSA-N 449.384 4.702 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861582119 FYNXDWHQOJGWCZ-QGUORLBXSA-N 432.605 4.869 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1862435095 OCWBFJVJTBLFEN-OAQYLSRUSA-N 441.911 4.736 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862476470 AQMUXXPFXHZCRY-JOCHJYFZSA-N 432.545 4.901 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1F 1862526365 DZAOGJBPBRGMRB-QGZVFWFLSA-N 436.252 4.714 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1cccc(F)c1)c1cccc(O)c1 1862590540 KWGZJTAFNRUHMK-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)C)cc1 1862608777 VYHQIUBWZLTLRI-QHCPKHFHSA-N 435.520 4.816 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3)C2=O)cc1 1862970670 DPVGPCUOPDZOEN-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863366698 UWVFVRZUBHSQLI-UHFFFAOYSA-N 437.499 4.739 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C(C)=C/c1cccc(Cl)c1 1868750659 SWYYSYRQIWUHGL-KEWFZMHCSA-N 440.946 4.811 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CSc2ccccc2)cc1=O 1870246258 VNMNDMWXGDRUJR-QHCPKHFHSA-N 436.577 4.714 30 10 IJEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871073792 QKEFEMKLJOMAOY-UHFFFAOYSA-N 435.499 4.631 30 10 IJEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(C(=O)OCCC)c2)[nH]1 1871295572 SRJSUYSGQLSKHW-UHFFFAOYSA-N 438.576 4.868 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc(C)c2C1=O 1871374263 AQVBJQYHLGQHNT-UUYOSTAYSA-N 445.427 4.676 30 10 IJEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1[N+](=O)[O-] 1871374838 FTTLYQAXBDPTRV-FBHDLOMBSA-N 446.371 4.647 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)cc(C)c2C1=O 1871429643 MGPQOKUURXPZHD-RMORIDSASA-N 443.455 4.666 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)c1 1871453913 XZQCOPOPCZFGCH-CFRMEGHHSA-N 445.471 4.646 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1871886083 MHIHUQHDYCICLD-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1871979991 HDMJPSNQAMTDJL-QFIPXVFZSA-N 442.487 4.522 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872450219 AHKBVGYKLCFAHZ-QFIPXVFZSA-N 432.561 4.933 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)cc1 1874233683 WISGJMDSXZVZLZ-PCLIKHOPSA-N 430.533 4.607 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2/N=C/c2ccccc2C)cc1 1874390400 KQSLDDJOMXFHQB-AFUMVMLFSA-N 436.581 4.659 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1[C@@H](C)c1ccccc1 1874401896 ZBZMSZVIFIMIRY-CPUXBYDOSA-N 436.581 4.912 30 10 IJEE CCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2cccc(Cl)c2)c1 1874474096 MNTSHXHBXBGMIM-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)cc(OC)c1O 1874495605 UZBHIYHPKMKPFY-WYMPLXKRSA-N 442.516 4.582 30 10 IJEE OCCSc1nnc(C2CCC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874498434 IHDRHWRBGLZOSW-ZVHZXABRSA-N 442.972 4.745 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)NCc1ccccc1 1874594774 BXKQQKRWAWJQJC-ACCUITESSA-N 435.907 4.940 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)o1 1874619268 RWGBHTZGLIKGDV-KPKJPENVSA-N 436.460 4.949 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(Cc3ccc(OC)c(OC)c3)n21 1875074628 HDQJIQCEGVFNCJ-QGZVFWFLSA-N 446.617 4.596 30 10 IJEE CC(C)(SCc1ccc(C#N)cc1Cl)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882753073 XUHHMRRIELIFTO-GOSISDBHSA-N 432.929 4.603 30 10 IJEE O=S(=O)(NC1CCC(C(F)F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1890748657 USCNNIQDPRVPHG-UHFFFAOYSA-N 425.341 4.826 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)ccc1Br 1898261482 QYBZONWSNLEIKF-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](CC#N)C1 1985178869 MDSHXQQCNGCYNL-UHYQSWOWSA-N 445.563 4.748 30 10 IJEE CC[C@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ncnc(Cl)c1C#N 1986482350 MAQBDSUYKCLBCK-JOCHJYFZSA-N 430.936 4.986 30 10 IJEE COCCCCN(Cc1ccccc1)Cc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2034739453 LPYIHTDDKBKGCY-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE CCOC(=O)c1ccc(-c2ccc(C=CC(=O)c3cccc(N4CCOCC4)c3)o2)cc1 2040967996 KUCFPWGROIURAO-UHFFFAOYSA-N 431.488 4.856 30 10 IJEE COC(=O)C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)C(C)(C)C 2053510625 LHHLMBZRUFPUAW-UHFFFAOYSA-N 436.258 4.789 30 10 IJEE C[C@@]1(C(F)(F)F)CSC(=NCc2cc(Br)ccc2Br)N1 2161363877 ASFZJLDXJANBND-NSHDSACASA-N 432.103 4.725 30 10 IJEE CCSc1cccc(NCCC2(OC)CN(C(=O)OCc3ccccc3)C2)c1C#N 2167647088 CHHGIYFBYVMNCU-UHFFFAOYSA-N 425.554 4.510 30 10 IJEE CN(C[C@H](Oc1cc(Br)cnc1C#N)C1CCCCC1)C(=O)OC(C)(C)C 2198829545 PERLTVFWBJTROX-SFHVURJKSA-N 438.366 4.910 30 10 IJEE O=C(NC[C@H](Nc1ncccc1[C@H](F)C(F)(F)F)C(F)(F)F)OCc1ccccc1 2199320854 RLFRXNARRIUNRI-KBPBESRZSA-N 439.331 4.924 30 10 IJEE CN[C@@H](C#Cc1cccc(Cl)c1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2216909754 POHVCGQCMDENPF-OFAXGOBFSA-N 442.987 4.778 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2224276709 KIZRPXJXTDYIFB-PBHICJAKSA-N 429.403 4.737 30 10 IJEE C=CC1(NCc2cc(C(F)(F)F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2228044406 ATWJRKGOYPTKAV-UHFFFAOYSA-N 435.284 4.733 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CCC 2232458469 LBTBAJKHRXVNFT-YJBOKZPZSA-N 443.430 4.956 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CC1CCC1)NC(=O)OC(C)(C)C 2235733179 NZJSIWWCKBXBAA-UXHICEINSA-N 435.406 4.862 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](C#Cc2ccccc2Br)NCCC)C1 2235734873 YBIYRXXIYCNXSZ-LJQANCHMSA-N 433.390 4.782 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2235746016 HGKHWWHCMDOZKX-OXQOHEQNSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@H](O)C#CC2CCCCC2)C1 2251469088 UIOIVTSCRJPNCT-BVAGGSTKSA-N 427.585 4.775 30 10 IJEE CC(C)(C)OC(=O)NCCCc1cccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 2267567107 ADAKNWHDIXOGAR-OALUTQOASA-N 444.381 4.565 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2273825781 ZHPJCTKAOSFHMS-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC[C@]1(C)CCOCc1ccccc1 2282143804 YUCIHQGTYGFOJT-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cc(Br)ccc1OC 2292203295 NMVACNUTEVMAID-NRFANRHFSA-N 435.314 4.763 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296297041 VAJDOCUYJHAAQK-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@@H](N)C#Cc3ccc(Br)cc3)cc2C1 2296309841 BILXRCISNJURLB-FQEVSTJZSA-N 427.342 4.751 30 10 IJEE CCCN[C@H](C#CC1(SC)CC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2299658929 VWJJIBTYAJSFKA-NNWRFLSQSA-N 446.657 4.752 30 10 IJEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317335238 CFAAMVJFBLGFAI-KRWDZBQOSA-N 431.386 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317335848 MXLGMFULGBFICE-ABSORMQESA-N 430.354 4.505 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2318575094 ZDBHGZHHALBILR-UHFFFAOYSA-N 425.514 4.630 30 10 IJEE O=C1C(=Cc2ccco2)Oc2c1ccc1c2CN(CCCc2nc3ccccc3[nH]2)CO1 2322192926 CGTRNDTXSZHESY-UHFFFAOYSA-N 427.460 4.557 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2322687752 JGYQUAUADOLMPL-UHFFFAOYSA-N 429.472 4.905 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)c(C)c1 2323422701 GUNYKXAWWDBDGW-UHFFFAOYSA-N 429.369 4.957 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)OCC(C)C)c(Br)c1 2323701770 RRKYHJGJTYWIHV-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)cc1 2324055190 OYCRCLVMTYJNRA-HOTGVXAUSA-N 435.520 4.581 30 10 IJEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324682668 AQZDJOVOFDJXAZ-UHFFFAOYSA-N 447.443 4.986 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(OC)cc1OC)C2=O 2325079328 AVQADUOIQFMJQN-IBGZPJMESA-N 440.492 4.739 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(OC)c(OC)c1 2330084378 RLMUCHDMIMMFKH-QFIPXVFZSA-N 444.616 4.965 30 10 IJEE Oc1cccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 2330196993 RSIIOIRJFVARRU-UHFFFAOYSA-N 428.561 4.986 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(N(C)C)cc1 2331081359 POKRWEIUUHGBFI-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1 2331665116 PUXGKKIBVGSZIO-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE CN(CCCCCNC(=O)OC(C)(C)C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339602329 IRNVNUKAVMCARZ-CCEZHUSRSA-N 445.413 4.857 30 10 IJEE C#CCC1(NCc2ccc(I)c(Br)c2)CCCCC1 2349843241 SUYKQOHFVYIJPZ-UHFFFAOYSA-N 432.143 4.870 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 2360196294 NPPHTRVXFQGZHP-VDGAXYAQSA-N 435.406 4.957 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197268 JAFPZPGIZSNIOF-BTHPGYMESA-N 433.390 4.567 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2363543752 JGBZHXPKQUOWBQ-RTBURBONSA-N 449.414 4.586 30 10 IJEE COC1(C#CC(=O)c2cc(Br)ccc2I)CCCCC1 2363610920 KJNIOZTZOKIXNS-UHFFFAOYSA-N 447.110 4.589 30 10 IJEE CN[C@@H](C#C[C@H]1CC1(C)C)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2365093813 QGYYZADJKLSFGS-YTQUADARSA-N 435.406 4.522 30 10 IJEE C=CCN1C(=O)[C@@H](C)Oc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081430 RKBMSQIENGCJHY-QWHCGFSZSA-N 435.307 4.699 30 10 IJEE Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(SCc4ccccc4C#N)nnc23)c1 14640380 PEFSTFSRJIGPEQ-UHFFFAOYSA-N 437.528 4.814 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(OC)cc2)Nc2cc(C)ccc2C)c1C 32973241 IWTTZVADROTVDP-UHFFFAOYSA-N 447.583 4.586 30 10 IJEE CC(C)OC(=O)c1cccc2c1-c1ccccc1/C2=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 33959622 WNNFAPNJDPLWIE-LVWGJNHUSA-N 446.419 4.913 30 10 IJEE COc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 34719285 DEPVNDFPCAUFKJ-NDRLBKOSSA-N 441.483 4.886 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CC3CCCCC3)sc2c1 34989733 LPPZSPAFCNWAAL-UHFFFAOYSA-N 433.599 4.568 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 35724860 UYTZXRMWSYJKEO-BEFAXECRSA-N 448.552 4.560 30 10 IJEE C=CCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1ccccc1C 36115016 AKKKXRBJDFBCHV-UHFFFAOYSA-N 438.549 4.876 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCC)c1 40096012 IHCKEMZGSGDLMY-OSPHWJPCSA-N 447.531 4.953 30 10 IJEE COc1ccc(C/N=C/[C@@H]2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 96486151 NJWWYXQNTHHZJM-NTRYICDMSA-N 440.528 4.943 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC)cc2)cc1 100154069 SNFGZTCTBNUBAA-UHFFFAOYSA-N 428.554 4.949 30 10 IJEE CCOc1cc(/C=N\[C@@H]2CCS(=O)(=O)C2)ccc1OCc1ccc(Cl)c(Cl)c1 102387921 SRXFSYVSKXWKTR-XYIDMMFISA-N 442.364 4.577 30 10 IJEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2cccs2)c1 169928673 USHOIRIKIARFFZ-QHCPKHFHSA-N 433.529 4.854 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc(OC(C)C)c1 169979933 OXJZYWSKPYTWQA-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170031352 XZNGKDWZYBOWGX-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)[C@H]3c3ccco3)nc2c1 170098643 GVXVXUVPNKVIOA-JOCHJYFZSA-N 427.460 4.566 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccn2)c1 170171220 BYBVKYOTBQRRSC-QHCPKHFHSA-N 444.487 4.605 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)c1C 170187926 XJOXBOWXFHDOLY-GYCJOSAFSA-N 440.499 4.805 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 170193633 SVWVWVNJAKRKSR-HSZRJFAPSA-N 441.531 4.861 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)cc1C 170200506 URGBMSWWSWAYCY-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)cc1 170202330 ZWZWOVCQILNLLT-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccncc2)c1 170206546 KZDLYAIWTHRHQH-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccc(OCC(C)C)c1 170219125 ZFMBIFUXDGSNSY-QHCPKHFHSA-N 435.520 4.645 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)ccc1Cl 170289613 DXHGVTPRIIFWPH-FQEVSTJZSA-N 434.835 4.596 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 170454745 OGPORSBZLITNHB-NRFANRHFSA-N 428.479 4.936 30 10 IJEE O=C1/C(=C\c2cccs2)S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 210633685 DQVJLCNIPSOCAE-FCKSWFEOSA-N 438.490 4.756 30 10 IJEE C[C@@H](C#CC(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C/C1=CCC[C@H]([N+](=O)[O-])C1 213641946 DBVXCYXESDPNAF-RULKRINMSA-N 444.487 4.598 30 10 IJEE CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Br)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 256518006 ZNELXLYMMBIRSK-BIRKEIJKSA-N 449.385 4.908 30 10 IJEE CC1(C)OB(c2cc(F)ccc2NC(=O)c2cccc(OCc3ccccc3)c2)OC1(C)C 404914368 MRCDVWWPWOYWRH-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C=CCn1c(SC[C@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1cccs1 443411380 DVEGGPLSJUIGGU-CQSZACIVSA-N 425.501 4.907 30 10 IJEE C=C(C)Cn1c(S[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)nnc1-c1ccncc1 481364190 PAZNZAIUWBNYJS-HXUWFJFHSA-N 437.544 4.651 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2c(F)cccc2F)C1 508824117 HFBOBLMUQYZUBV-MSYCTHLASA-N 436.506 4.981 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(SCc3ccco3)C2=O)cc1C 526666563 JZCDQHUDWQOKFX-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)cc1OC 526821082 ZUMKQVKCBMWNGR-NHDPSOOVSA-N 447.358 4.541 30 10 IJEE CCc1ccc(CN(C)C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 609086308 BJFLWIGXRBVTHL-UHFFFAOYSA-N 441.531 4.605 30 10 IJEE COc1cc([C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)ccc1OC1CCCC1 609097666 CGFSFJZROQMHSI-MBSDFSHPSA-N 433.552 4.734 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2[C@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 700603628 FVBMPKZPEJWIPF-LWIATZKVSA-N 441.572 4.961 30 10 IJEE Cc1cccc([C@@H](C#N)C(=O)c2ccc(I)c(Br)c2)c1 721300824 CTWBLIYHHGXETD-CYBMUJFWSA-N 440.078 4.852 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310426 HWXGXVLVGSNSJA-MRXNPFEDSA-N 438.336 4.679 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C(C)=C/c1ccccc1Cl 756286117 DUUVCURCLCYYHV-INFVRCAFSA-N 426.900 4.630 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 788433847 VXHHCNQSIMLVJD-AWEZNQCLSA-N 435.874 4.576 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CCCN1C(=O)OC(C)(C)C 790293599 OPNKLVWIQQARFB-BVZFJXPGSA-N 439.556 4.880 30 10 IJEE Cc1cc(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(Cl)cc1F 806911705 FTULCMUPTZJGNQ-UHFFFAOYSA-N 427.888 4.643 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)cc1OC 1125954386 VWGWDFPYXKEWTG-LCYFTJDESA-N 426.476 4.850 30 10 IJEE Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)C[C@@H](C)C[C@H]4C)cc2n1 1129225921 GYOHGNNUXJKIDW-VHSXEESVSA-N 433.459 4.928 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Br)cc1 1129730181 DTUJOLPTQKOLOJ-IBGZPJMESA-N 440.337 4.523 30 10 IJEE C#CCN(C(=O)c1cnn(Cc2ccccc2)c1Br)[C@@H]1CCCc2ccccc21 1134316304 NYPLITDZDRBGJK-JOCHJYFZSA-N 448.364 4.847 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCCc4c(C(F)(F)F)ccc(Cl)c43)cc2C1=O 1134769443 MTDACIIBBJUPNR-UHFFFAOYSA-N 448.828 4.734 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 1147166172 NFLFHAXTEJGILD-DYESRHJHSA-N 430.545 4.800 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc(F)c2)cs1 1150812199 HHXWJSPLEDMRRU-CQSZACIVSA-N 425.913 4.924 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 1170344812 ATLSQZXZTGIAEU-ZBFHGGJFSA-N 442.478 4.788 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nc2cc(Cl)ccc2c1=O 1187995857 XCRLFGHPDSLYRP-SFHVURJKSA-N 449.359 4.766 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(CCCN2CCCC2)CC1 1192399775 BRCFKSLQMVTIKR-LJQANCHMSA-N 442.673 4.804 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cc(Cl)ccc32)n(Cc2ccc(F)cc2)c1C 1198498000 BPFKADRVBJCTFM-UHFFFAOYSA-N 436.918 4.819 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1OCC 1199678248 KXWIKBCEIURMKP-OKZBNKHCSA-N 439.438 4.869 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c1 1199787476 UDVXXYKERRJCRK-UHFFFAOYSA-N 439.478 4.583 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c1 1214885623 HAAWTLSIWWFISB-ZCNNSNEGSA-N 429.561 4.797 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 1215512444 KANAXHUGIXEDCT-XMMPIXPASA-N 448.494 4.614 30 10 IJEE C=C[C@@H](C)ONC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1216075440 KWAANZIONQDARF-ZCFIWIBFSA-N 426.214 4.585 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(SC)c(C#N)c1 1219086945 UGXGMJQUFLDSHS-UHFFFAOYSA-N 432.343 4.929 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(F)c(F)c1 1227393990 IIXPKSLRQOHYQE-QRWLVFNGSA-N 437.437 4.762 30 10 IJEE C#C[C@H](NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1252478708 FDHFGJOUVGFWGU-CVDCTZTESA-N 427.951 4.707 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)c1 1264943238 YOUALSRJJAZICU-JOCHJYFZSA-N 426.491 4.783 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](C)CCc1ccc(I)cc1)c1ccc(F)cc1 1275431776 OAWWMIUAWNXAEG-FOIQADDNSA-N 449.307 4.880 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286317909 QDSOMHWZTYYHOU-GOSISDBHSA-N 443.998 4.852 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(Cc2cccs2)CC1 1286363180 KHMFBIARNFKIQM-DEOSSOPVSA-N 447.652 4.863 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1CC(OCC)C1 1286404444 TXOLMQOTYMCFBH-UHFFFAOYSA-N 431.367 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1sccc1Br 1286441067 GZKVWDDTJMCJCX-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](C(CC)CC)N(C)C 1286527229 FLEKFINKCMAZKI-JYFHCDHNSA-N 437.632 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(Br)o1 1286546744 LMSCXHXQGMMDCP-DAYGRLMNSA-N 437.382 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccn(Cc2ccccc2)n1 1286569207 HSIWVGJLSWXGJR-UHFFFAOYSA-N 447.974 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CSCCS1 1286583747 RIHYJMBQFRBTIT-HXUWFJFHSA-N 432.659 4.725 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCS[C@H](C)[C@@H]1C 1286588013 XWSHQPOUDISNFO-UONOGXRCSA-N 437.407 4.623 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnn(CC)c1 1286622982 NWDMJSWHDZOSAE-UHFFFAOYSA-N 449.784 4.621 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1286634631 YTXCWYPBPOEJRF-WBVHZDCISA-N 427.515 4.647 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2cccnc2)CC1 1286643531 MHUGCIJFDRVVRH-UHFFFAOYSA-N 433.556 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2nc(C)cs2)CC1 1286654937 INWSKFNFOOLVSR-AWEZNQCLSA-N 428.993 4.965 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C2[C@@H]3CCC[C@@H]23)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286677052 WOXGQAJXXKIUDA-FCGDIQPGSA-N 443.636 4.886 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nnc(CC)s1)C1CC1 1286732744 YSCDQLUGQPTZRB-AWEZNQCLSA-N 444.992 4.689 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1286750770 GXLGLVLJWFMUHK-DNVJHFABSA-N 443.680 4.743 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)Cc2cccs2)C1 1286805510 SRGKAVJGFUYAMX-RXVVDRJESA-N 438.597 4.675 30 10 IJEE C=CC[C@H](C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1293985955 GKMOBSSJTYDXGP-PKOBYXMFSA-N 431.376 4.931 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCS1 1300317710 UDGGDMZLLBGICI-HKUYNNGSSA-N 433.021 4.605 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1300423866 XGVLDUWEGRNXPL-PMACEKPBSA-N 431.005 4.785 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCCC1CCCC1 1300520089 HFJDLAPKUNLCQD-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC=CO1 1300559736 YYGUSYZCEHLUBO-DEOSSOPVSA-N 439.563 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(C)CCCC1 1300570211 ZOLMHFUTMLJZJS-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCOC(C)(C)C 1300879942 GEGCFYKOEUMZDK-YLJYHZDGSA-N 432.996 4.831 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C)CCOCC2)CC1 1301112261 OPUSLULEWFOLJZ-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCCC2)CC1 1301153766 CJFFWMFRIGRHGW-UHFFFAOYSA-N 443.586 4.814 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC2(CCCC2)C1 1301194615 MFEHPXOLNUKSQU-UHFFFAOYSA-N 427.618 4.787 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](OC)C(C)(C)C1 1301206394 ASZSMQWVGPNKKN-QGZVFWFLSA-N 437.357 4.674 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCC1)C1CC1 1301313579 BTHDFBMJQOWUHD-GOSISDBHSA-N 429.996 4.712 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC(F)(F)C2)C1 1301566153 KSTXJDOMTHHNFL-SFTDATJTSA-N 430.543 4.670 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1301610267 URAHCNXHFMHDMC-FQEVSTJZSA-N 428.602 4.824 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1CCc1nccs1 1303063010 ALFSUPDPQDNJGM-UHFFFAOYSA-N 445.596 4.959 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](Cc2cc3ccccc3o2)C(=O)OC)cc1OC 1308934675 FCPOOJWQCXVITK-IBGZPJMESA-N 429.900 4.534 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(Br)cc(F)c21)c1ccc(Cl)cc1F 1312936649 IZAMICQQJHBKJM-INIZCTEOSA-N 425.660 4.827 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 1313001695 LVPVDUNPEIVUDN-NFBKMPQASA-N 441.597 4.764 30 10 IJEE Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 1350286647 BGCCNKMSZUFCRD-UHFFFAOYSA-N 442.548 4.586 30 10 IJEE N#Cc1ccc(F)c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)c1 1350339430 GFRAANOQEHGBST-NRFANRHFSA-N 439.943 4.942 30 10 IJEE C#Cc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 1351886814 BKKLKTGDAKQAJN-SFHVURJKSA-N 429.314 4.635 30 10 IJEE CCC[C@H]1CCc2nc(NC(=O)COc3cccc(Br)c3C#N)sc2C1 1352377240 BZDJQCJJKJVDBF-LBPRGKRZSA-N 434.359 4.700 30 10 IJEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c1 1354918351 IBOLJOVUMXTXGP-ZWKOTPCHSA-N 446.528 4.616 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCN(c3ccccc3F)C2)cc1 1356067738 ALTMWCZEFPGGCJ-QFIPXVFZSA-N 431.486 4.892 30 10 IJEE C=CCc1cc(CNC(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)cc(OC)c1OC 1357246804 NOSWTSQNCOZJOV-UHFFFAOYSA-N 439.552 4.578 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(C)n(-c2ccccc2Br)n1 1358385916 YSYUTCLJNFPEFK-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)c1ccc(C)cc1 1359086001 GYQXYKXWHJRLMC-UHFFFAOYSA-N 437.345 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)CC(C)C 1359095859 SVOIDPOKDHLFRB-XUZZJYLKSA-N 449.599 4.583 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1359119953 XTDNYGRAOUHNJM-HSZRJFAPSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1359190794 CVHSWHRVJZAXAF-UHFFFAOYSA-N 427.559 4.688 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1cnn(C)c1 1359196529 KMFZBLXFLZXVJB-UHFFFAOYSA-N 443.393 4.672 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@H]1C[C@H]1C 1359196939 YFCZPYNDEILKRV-NQIIRXRSSA-N 434.588 4.999 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359199364 SMDCDBPVDHQCLF-BSRJHKFKSA-N 430.980 4.728 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359204376 MSGZRDSBRADQLV-DEOSSOPVSA-N 445.007 4.653 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN(C)C(C)C)C1CC1 1359249625 JWRIEKNYGKBGFZ-UHFFFAOYSA-N 430.600 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCCn1nc(C)cc1C 1359264190 XCRRLEPRRDPAIJ-NRFANRHFSA-N 440.617 4.677 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1Cc2ccoc2CC(C)(C)C1)C(C)C 1359265175 ADHGMPYLJMYCND-OAQYLSRUSA-N 425.621 4.721 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 1440716141 ZDYPMNVHNQWNKG-OALUTQOASA-N 446.979 4.529 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(Cl)c1 1454785724 HJVYNFSMIOLBTN-CVDCTZTESA-N 436.955 4.709 30 10 IJEE C=CCc1cc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc(OC)c1OC 1460309503 ZIPYJLUUCOSGLD-UHFFFAOYSA-N 429.520 4.642 30 10 IJEE N#Cc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)c3ccccc32)ccc1C(F)(F)F 1463628439 BXSTVFSYAUFVBG-LJQANCHMSA-N 428.435 4.918 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)cc1 1465398515 AMMYTFHZKHEYCL-SFTDATJTSA-N 425.573 4.749 30 10 IJEE C=C(C)CN(CC)C(=O)Nc1cc(Br)cc(I)c1C 1467107098 MUVMTSUIDRJTEM-UHFFFAOYSA-N 437.119 4.792 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 1469490911 GQSPHDMVKNEPGK-WMLDXEAASA-N 437.428 4.991 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)c1ccc(F)cc1 1470656388 BHNUWXZUCPUFOP-OZXSUGGESA-N 444.506 4.875 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](Cc3ccc(F)cc3)C2)n(Cc2ccccc2)c1C 1473172572 FMWAEDQEXAXDSK-QHCPKHFHSA-N 444.554 4.667 30 10 IJEE C#C[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)c1nc2ccc([C@@H](C)CC)cc2s1 1473539174 ATLKTWYYVJIYLJ-SIKLNZKXSA-N 447.604 4.677 30 10 IJEE CCc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1sc3ccc(C#N)cc3c1C)CCC2 1475078623 FNXYDGTYOUCOAG-INIZCTEOSA-N 431.608 4.798 30 10 IJEE C#CCN(C(=O)Nc1nc(CC)c(C)s1)[C@@H]1CCOc2ccc(Br)cc21 1476477801 IRCFAMWZPQFUOF-MRXNPFEDSA-N 434.359 4.767 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 1476606223 ABNSLDXPONHOQL-XMSQKQJNSA-N 425.579 4.886 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(C(F)(F)F)cc1 1478272632 NMUAQUQTKYVODH-RBUKOAKNSA-N 431.458 4.600 30 10 IJEE COC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCC#N)CC2CC2)CCCCC1 1504058678 CLJYPHPLWRKMBK-NHCUHLMSSA-N 443.636 4.676 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC[C@@H](C)C1 1507520691 FUPQIOQGUJTFNQ-PMPSAXMXSA-N 431.378 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1507537272 TWRHQSZRSBOHHB-CVDCTZTESA-N 440.035 4.777 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1sccc1Br 1507608961 OKNICNJOBYDNPB-UHFFFAOYSA-N 439.741 4.679 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](CC(C)C)C1 1507753116 JQTDUQKJLZZURM-NRFANRHFSA-N 426.630 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1507797648 PWVHKCYCFGEFKG-CIWUYKSXSA-N 432.515 4.620 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CCOCC1 1507910239 KPLCFRADTJFPMA-UHFFFAOYSA-N 439.604 4.612 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507914850 PGZDCNYPIKLDSK-KRWDZBQOSA-N 429.634 4.726 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507926956 WJSXXQZLOWZNDE-BVAGGSTKSA-N 448.615 4.662 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C#N)C1 1507927263 ZZDIDABMJIWIKI-OAHLLOKOSA-N 427.961 4.898 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OCCOC)CC1 1507943916 JCLZFZQSPOASPK-UHFFFAOYSA-N 439.387 4.850 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H](c1cccs1)N1CCCC1 1507986105 IODNJMGSHXTHSH-HXUWFJFHSA-N 441.576 4.517 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2cccc(C)c2)C1 1508067867 RFXZTMKHLUGZSI-SFTDATJTSA-N 437.588 4.838 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(CC)CCOCC2)C1 1508124964 NDYHQDWSYAPYHF-NRFANRHFSA-N 445.007 4.510 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 1521873668 VHWLLROVTXSECA-UHFFFAOYSA-N 430.533 4.683 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 1522212075 JUOUPMATPGIOGD-UHFFFAOYSA-N 426.472 4.741 30 10 IJEE COC(=O)c1sc2nc(C)ccc2c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1522530319 CIPUUGAHBGPOCP-UHFFFAOYSA-N 447.472 4.687 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 1522970146 DOALWJHOLCYLJR-FIKGOQFSSA-N 444.984 4.640 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2Cl)cc1 1526306601 FVLAVIIYQXDMSM-QGZVFWFLSA-N 431.879 4.996 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C 1527807331 ORYAOTDULOYPCH-NRFANRHFSA-N 440.353 4.861 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 1528005821 ATYCZVDFSVHFQP-UHFFFAOYSA-N 443.200 4.776 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C#N)c(Cl)n1)c1ccc2c(c1)OCO2 1529763495 CYOQQPUUWUISMO-UHFFFAOYSA-N 447.878 4.747 30 10 IJEE C#CCOCCC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1530599886 OGEGXYKOQLJJRJ-IBGZPJMESA-N 438.724 4.682 30 10 IJEE Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 1532592743 BWHWIYRETKEWSC-UHFFFAOYSA-N 437.421 4.965 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)c3cn(-c4cccc(Cl)c4)nn3)c2C#N)C1 1534340068 DIGZLBJDMSAPIX-ZDUSSCGKSA-N 425.945 4.867 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CCCN1C(=O)OC(C)(C)C 1535064556 ACFTZZIASNPKGY-VWLOTQADSA-N 446.507 4.621 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCC(c2nccs2)CC1 1539079589 WJFKCVGILQEXLR-UHFFFAOYSA-N 435.597 4.544 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1539171150 HDIVLNALKRWJQN-KNQAVFIVSA-N 433.556 4.511 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cccs1 1539506419 SDARUCYIUIKTBM-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1539547249 WFXYMJHKNPKWBH-RXFWQSSRSA-N 431.584 4.968 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539731060 XCNIVZJGKYDWBC-AQNXPRMDSA-N 449.640 4.514 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2sc(C)nc2C)CC1 1539892097 RMTKJZSPHBZVPX-UHFFFAOYSA-N 425.577 4.726 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1539952966 MXRFVTOEROGEJB-OXQOHEQNSA-N 432.515 4.907 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1539953802 NAKFUKQQPUUTQD-UHFFFAOYSA-N 449.559 4.810 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCc2cc(Br)ccc2C1 1539998432 IKEVJTNCGCLIKP-LJQANCHMSA-N 431.378 4.811 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1F 1540141812 FNTDXMOAUDDIOW-NRFANRHFSA-N 442.560 4.970 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1 1540877872 ILNKIZOOGJIRIK-RTBURBONSA-N 435.597 4.592 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(-c2ccc(OC)cc2)c1 1543169742 UBGCSNYIWSIWLQ-OAQYLSRUSA-N 438.524 4.616 30 10 IJEE C#CCN(CC(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1)C(=O)OC(C)(C)C 1543193152 YWQPTDIGFIFCCF-UHFFFAOYSA-N 433.961 4.505 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1(C#N)CCC1 1544209825 UFQYVNYKPPTCKL-DEOSSOPVSA-N 443.547 4.765 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2nc(OCC)[nH]c2c1 1546225974 AOYJDKWYELXRNB-UHFFFAOYSA-N 432.293 4.692 30 10 IJEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1(c2ccccn2)CCC1 1554135918 HOFBWBBNWGCSOU-UHFFFAOYSA-N 444.583 4.728 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1(CC)CC 1559618308 ABOGYYIHJJOMKD-FGZHOGPDSA-N 428.621 4.946 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Br 1561960160 TWXFIZVSQOFUEI-GOSISDBHSA-N 438.774 4.804 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 1562548082 AEVIQENSUVETAU-UHFFFAOYSA-N 429.307 4.821 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1563500500 ZAELPFOBSXLKIF-HSZRJFAPSA-N 435.593 4.881 30 10 IJEE C=CCC1(CNC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CCCC1 1564747822 KAULKABXEDSDES-UHFFFAOYSA-N 448.405 4.946 30 10 IJEE C#C[C@H](NC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1)c1ccccc1 1585925200 WYDZUCIQGBUVQJ-AWEZNQCLSA-N 448.185 4.930 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)c1nc(C)cs1 1587561700 HFWHWRDHYPYCGY-PVAVHDDUSA-N 427.549 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cccnc1OCCCC 1587587171 YUJFGOZHBSOLSB-SFHVURJKSA-N 429.524 4.771 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@@H]1CC 1587758502 AWFZEGJMVGQDOD-HBMCJLEFSA-N 443.636 4.821 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCCCC2)CC1 1587788035 VNHUFFRJQQCWGS-UHFFFAOYSA-N 449.643 4.732 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCC(F)(F)C1 1588200049 ASWKEHMAERUQJG-KRWDZBQOSA-N 431.918 4.672 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](c1cccnc1)C(C)C 1588445317 KMZQYUJSBGRXLB-DEOSSOPVSA-N 431.584 4.768 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC1CCCC1 1589178506 ZFQPRXFUVKVHJW-XMMPIXPASA-N 442.991 4.949 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1589580604 OKEHOGWFPDTDMA-BDKRGJGYSA-N 442.604 4.716 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(F)ccc1F)C1CC1 1595026324 JFSVZJGLFGRPBM-UHFFFAOYSA-N 434.288 4.517 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(OC)c1 1595148942 CXEQZQLXTAIMSB-UHFFFAOYSA-N 449.580 4.603 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C 1595170719 IMWADNJAJJVINV-PXDATVDWSA-N 445.721 4.899 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCC2)n1C[C@@H](F)c1ccc(Br)cc1 1595297455 PSSYOZIHPGKEHG-GOSISDBHSA-N 437.357 4.658 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1596840003 AOXITKZUOJDKCK-YADHBBJMSA-N 436.648 4.560 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 1622858071 HREQQFHFRZSPFL-JTHBVZDNSA-N 439.437 4.914 30 10 IJEE CC[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)N(C)C(=O)OC(C)(C)C 1626671650 GYKUPBJVBDJAFU-HXUWFJFHSA-N 441.503 4.860 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 1639004344 MJAFLVXWBFLBLV-IBGZPJMESA-N 426.557 4.663 30 10 IJEE C=CCn1c(Sc2ncnc3cc(Br)sc23)nnc1-c1ccoc1C 1639213762 QLQKLXCTRQGBCC-UHFFFAOYSA-N 434.344 4.951 30 10 IJEE C=CCC(CC=C)C(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1648437058 XKDLGCJAGLJPCY-NBGIEHNGSA-N 426.557 4.774 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 1653613899 AHHRGRAEMGZPPO-UHFFFAOYSA-N 430.430 4.580 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1cccc(C)c1 1656022234 AIQVGFXTNDCDFV-IBGZPJMESA-N 427.957 4.969 30 10 IJEE C=CCn1c(SCc2ccc(Cl)cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCC3 1656058235 PRFHYJFANSSTKD-UHFFFAOYSA-N 433.942 4.987 30 10 IJEE C=C(C)Cn1c(SCc2ccc(OC)cc2Br)nnc1-c1ccncc1 1656351658 JUDKAWCFIYANGU-UHFFFAOYSA-N 431.359 4.980 30 10 IJEE N#Cc1ccncc1N1CCN(Cc2ccc(Oc3cccc(Br)c3)cc2)CC1 1659332122 HLROBIPYVPAEBH-UHFFFAOYSA-N 449.352 4.830 30 10 IJEE N#CC1(CS(=O)(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CCCCC1 1661298103 ABCGXXCGKXVXGO-KRWDZBQOSA-N 429.355 4.529 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)c1ccc(Br)cc1 1663548512 MDKVECPDTVWUKS-GOSISDBHSA-N 434.742 4.909 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1OCC(F)(F)F)c1ccc(Br)cc1 1665082918 BPGIMYYHNHVLJG-AWEZNQCLSA-N 427.220 4.886 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(OC(F)F)cc2F)cc1 1666393025 AQMYRNARTIYVME-UHFFFAOYSA-N 433.430 4.563 30 10 IJEE N#Cc1cccc(C2(NC(=O)Nc3cc(Br)ccc3Br)CC2)c1 1666587972 GQKDKLUADOJWBG-UHFFFAOYSA-N 435.119 4.894 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cc(F)ccc3Oc3ccccc3)C2=O)cc1 1666781879 GMMAGUAIXHLOJG-NRFANRHFSA-N 444.466 4.807 30 10 IJEE C#CCN(C(=O)Nc1ccccc1OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1667166864 CIEWQMKTBKOONG-UHFFFAOYSA-N 429.561 4.731 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)C1 1667365949 MYTBJRXMPKHWQZ-JOCHJYFZSA-N 435.568 4.553 30 10 IJEE COCCN(CCC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1668491541 BVRYFDBOKXUANH-UHFFFAOYSA-N 439.512 4.563 30 10 IJEE C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1671278867 GBDBAYWUAIKOJR-SFHVURJKSA-N 442.567 4.914 30 10 IJEE Cc1cccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1OCc1ccccc1 1673242758 CMYPSWHMBQCDSV-UHFFFAOYSA-N 440.547 4.795 30 10 IJEE C=CC[C@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12)c1ccncc1 1677731540 UNPAJJAPUBVALB-NRFANRHFSA-N 429.499 4.960 30 10 IJEE C=CCOCCNC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1682998807 OYAPSQPIDGLCDH-UHFFFAOYSA-N 437.309 4.725 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1CCCc2nc(CC)sc21)c1ccc(Br)cc1 1683507482 FDKDECGLFFNYAW-RDJZCZTQSA-N 432.387 4.861 30 10 IJEE C[C@@H](NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1)c1cccc(C#N)c1 1684082691 FWDMFCPCWCJTSW-AUUYWEPGSA-N 430.371 4.958 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)C1 1685752564 OQKTXTFLWXOZRM-UYAOXDASSA-N 432.490 4.580 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(c3ccc(Br)cc3)CC2)cc1 1686549449 DQSHLNRQZYOWRR-UHFFFAOYSA-N 427.342 4.550 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1690223143 GHLWMXGKXLMBOE-IRXDYDNUSA-N 447.377 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1690236370 LXYIMNUIXRZFHQ-VZVVXEKASA-N 446.542 4.629 30 10 IJEE C=CCCCCn1c(CC)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1690464693 IPBSNRINXBUSDO-KRWDZBQOSA-N 441.567 4.668 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1690470650 HUSHYRNBYMXFHH-GOSISDBHSA-N 441.595 4.738 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1 1690482832 BAIHOCVQMZBQQR-JLAWEPINSA-N 435.588 4.543 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1nc(C)cs1 1690607084 BSJCIRWUQCEOAX-PKOBYXMFSA-N 441.601 4.569 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](C[C@@H]4CCOC4)C3)nnc2C(C)(C)C)cc1 1690681097 GAUHFAFSSOHARO-VXKWHMMOSA-N 438.616 4.832 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1 1690681220 KCVOUHGEPNVAFW-IEBWSBKVSA-N 436.478 4.521 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)C1 1690690294 VYDCRMNXMROZFO-FQEVSTJZSA-N 433.581 4.637 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C)[C@H]1C 1690737752 WBMUTXCDSGUMFY-KGLIPLIRSA-N 427.014 4.987 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C(F)(F)F 1705478904 CQNJMHTXSYPLJL-LBPRGKRZSA-N 429.284 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OCCC)nc1 1705481850 NSEUUJXRUGQRPW-QZTJIDSGSA-N 449.624 4.821 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1705510034 RLTILJQUWOETGR-QFIPXVFZSA-N 429.524 4.701 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 1705524853 TXZRIDVJMJZWGB-RBUKOAKNSA-N 430.980 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N1CCC(C)CC1 1705606779 FQFIUSSAPAFWDF-FQEVSTJZSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCCCCC1 1705677154 DAZRRMWMOGONQY-HSZRJFAPSA-N 442.991 4.588 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)CN(C)C)CC1 1705777476 BSSDWPNAFBCTRK-UHFFFAOYSA-N 432.012 4.597 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(F)(F)F)c2)CC1 1705783634 ODMKCYSAQIVVDZ-UHFFFAOYSA-N 427.474 4.733 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)OC)CC1 1705785928 BOFMDLFORMODNP-QGZVFWFLSA-N 444.551 4.549 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705788674 JFJVPTWSZWJDDU-SBUREZEXSA-N 430.980 4.585 30 10 IJEE C=CCCCn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1705824238 KEEWRBYNLODDBI-QFIPXVFZSA-N 449.643 4.845 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2Cc2ccc3nsnc3c2)o1 1707351385 FHFNLEJBVJXKFG-UHFFFAOYSA-N 435.557 4.666 30 10 IJEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C(C)C 1710238132 AZZWPHRXAUPRJZ-NRFANRHFSA-N 434.613 4.778 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1722297683 MEHGKUQMPSJYKN-LRXVAGHRSA-N 439.654 4.533 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1722313239 RNTKHCHCPFXLER-FQEVSTJZSA-N 444.608 4.565 30 10 IJEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(CC)Cc1cccs1 1722461951 KFBVGIMMJLPAKT-UHFFFAOYSA-N 435.622 4.736 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(COc2ccccc2)CC1 1722462878 YPRFSGYVWBKHCU-UHFFFAOYSA-N 426.630 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCn2ccnc2C1 1722500659 JYQJFRSIWCOHCO-YADHBBJMSA-N 448.615 4.896 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1722532248 GMQHAYHSPDEQHT-MSOLQXFVSA-N 433.622 4.637 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(C)(C)OC[C@@H]1C 1722585221 RYLOOQMBHIUNMO-SFHVURJKSA-N 434.588 4.941 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1722627645 MIVRQYQHDKDWMB-BBHUYCHWSA-N 446.636 4.677 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1722633139 PDUITMDFQJMAAH-GOSISDBHSA-N 446.437 4.698 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722635149 UPLULKRQWYLLLE-MJGOQNOKSA-N 443.592 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1C1CCCCC1 1722666142 LMQJBHCFUCASRJ-DEOSSOPVSA-N 430.600 4.792 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H]1C[C@H](F)C1 1722678884 GJHBBGUKSJIKQQ-ZHALLVOQSA-N 432.609 4.908 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1722734892 HZAOAKAELYYBDB-CALCHBBNSA-N 448.658 4.602 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H](c2ccco2)C1 1722739636 JKZGWDFFEDLGTJ-KRWDZBQOSA-N 428.533 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1csc(CC)n1 1740541168 TVABUGQRABIZGC-KRWDZBQOSA-N 447.564 4.642 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(OC)CC1 1740747342 FZTUNFYVTWAKRG-QFIPXVFZSA-N 447.421 4.757 30 10 IJEE C=C(Br)Cn1c(N2CCS[C@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1740750356 PKAULXBXEOUKLJ-GOSISDBHSA-N 447.446 4.989 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1740827574 BOJSYCYGBAXPBB-DEOSSOPVSA-N 439.648 4.997 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCCCc2nc(C)cs2)CC1 1740828178 CICORBMVPUKTOV-UHFFFAOYSA-N 437.613 4.844 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H]2C)CC1 1740842809 MGWHWUSZYFEBDN-WLRLJWMZSA-N 443.636 4.887 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1740853689 HTXFZKLBMKWFHA-QFIPXVFZSA-N 432.616 4.610 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 1740855974 PZCUDLRKAIOUAT-BOMBAVFCSA-N 437.632 4.720 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)SC)C1 1740975799 QJDGIEAPJSXFHG-ZFWWWQNUSA-N 427.401 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cscc1C 1748648855 FVYJJODYVATFOL-ZDUSSCGKSA-N 433.350 4.723 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1748736826 SEEFOTFUYBZAQG-FCHUYYIVSA-N 436.600 4.580 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](SC)C(C)(C)C 1748867836 MQMITHYVLPYVSF-QFIPXVFZSA-N 434.653 4.989 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCCCC1 1749022747 LVYXVXHCIALBPJ-IBGZPJMESA-N 428.602 4.564 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1749039910 FLSLEAKAPPKYKC-NHCUHLMSSA-N 428.671 4.654 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCCCC1 1749115258 OJKKLULPNCICBA-IFMALSPDSA-N 437.588 4.509 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCCCC1 1749137387 XZKDLWVNIRAJEW-WZONZLPQSA-N 428.552 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccccc1-n1nc(C)cc1C 1749149716 DXVMEFHNLGRRRO-UHFFFAOYSA-N 427.556 4.593 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749161793 FPBWXIFLPVRFNS-NBGIEHNGSA-N 427.612 4.921 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCCCC2)CC1 1749181371 CBPXMEONQPUDKT-UHFFFAOYSA-N 429.996 4.638 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCNc2ncc(Cl)cc2Cl)CC1 1749309094 CDBDDAHSYCNSLC-UHFFFAOYSA-N 449.411 4.901 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749353852 BXYUPZNOYJEUDP-FYYLOGMGSA-N 437.632 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749373560 NXUHARPVTVYOSF-GGAORHGYSA-N 438.616 4.680 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1749402705 QVFNCFVGGTWAEM-RXVVDRJESA-N 430.980 4.760 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCCN1CCCCC1 1749550607 DSYKSOYONBOCLA-UHFFFAOYSA-N 436.629 4.779 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCO[C@H]1C(C)C 1749592680 UGTWGBCXFJHNSB-RDPSFJRHSA-N 449.599 4.502 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2(CC)CC2)C1 1749703252 FFDKLEWNMCSHCK-MRXNPFEDSA-N 431.378 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C1CCCCC1)N(C)C 1760124934 MYLJYZFAMGRHPT-NFBKMPQASA-N 439.673 4.847 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCO1 1760288461 CUBCPGWFNYZRIA-LJFZDNNRSA-N 442.991 4.859 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1CCCCO1 1760288909 LEJXOFUIYOLRQH-QYXIYQDXSA-N 440.563 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCC1 1760294110 NNWIRNYFPYDNPT-CJFMBICVSA-N 441.620 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(C)(F)F)cc1 1760295460 BIROLMPTCBGADP-JOCHJYFZSA-N 441.551 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CC)C1 1760327363 GMSBCIWQTUMKMG-AHJNKEMKSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C)N1CCCCC1 1760330595 IRJAKCJUBLIKQJ-QGZVFWFLSA-N 449.441 4.703 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CCCCC1 1760338449 KVKUNUMYEHSOEJ-UHFFFAOYSA-N 444.627 4.701 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)CCOC)CC1 1760405220 PLAKTBWOYVUARL-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760452687 HKCVNHMGVYGDGV-OAQYLSRUSA-N 444.645 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC[C@@H](C)N1CCCCC1 1760479405 NRDVQSBJWVELBT-OAQYLSRUSA-N 443.599 4.602 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC1CC(F)(F)C1 1760484829 LTKKNRGEJSDWPK-UHFFFAOYSA-N 427.474 4.641 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl)C(C)C 1760489929 MXRANZYLDGULBR-LQWHRVPQSA-N 440.463 4.559 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NC(C)C 1760498239 KLRFQFUKRZKAIC-UHFFFAOYSA-N 449.599 4.595 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCOC1 1760501289 MDYOSTHSLQPSRB-FQEVSTJZSA-N 440.975 4.777 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(C)(C)C2CC2)C1 1760537850 QWAPJUSIORFZMC-KRWDZBQOSA-N 448.409 4.643 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1761430929 CJNFWJHHWCYQFU-SFTDATJTSA-N 434.632 4.811 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1770403022 GWDDITBKYUNBOD-UYAOXDASSA-N 425.602 4.639 30 10 IJEE COc1ccc(OC)c(/C=C2\SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)c1 1772739232 SIHBBKLSECLMIB-NVGQKUQCSA-N 438.534 4.672 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478717 OYXRUNGBTCULJG-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(C(F)(F)F)cc1 1862494384 AAFZRWDRRQDRBM-FQEVSTJZSA-N 447.453 4.937 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2Cl)c1 1862700766 OAEBSZVWVXSMJT-NRFANRHFSA-N 434.879 4.522 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)cc1 1862746978 LPOHREXSABFMMR-OYHNWAKOSA-N 444.443 4.640 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1 1862935451 YRLKXPYOUMQUDE-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(Cl)c(Cl)c1 1864232374 SMFAPARENDOCKF-KRWDZBQOSA-N 449.382 4.549 30 10 IJEE CC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866973677 LXHVULMQMGDZAC-PMACEKPBSA-N 442.357 4.594 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)nc(C(C)(C)C)n1 1867967834 IHMCSTWTWSDGPN-SDNWHVSQSA-N 431.628 4.788 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868286228 CEQKYQIZWMNKCX-NRFANRHFSA-N 427.552 4.881 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1 1868957560 ABDLPPCHZLTLQC-NZQKXSOJSA-N 426.507 4.582 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870111409 MGXAWAKOIXZTJR-CABCVRRESA-N 446.725 4.900 30 10 IJEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1ccc2c(c1)C(=O)CCC2 1870157745 BRVYQWCCBMNXBN-UHFFFAOYSA-N 448.486 4.654 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)nc(Nc2ccc(OC(C)C)cc2)[nH]1 1871722124 RXCDHQOUHBJBOX-UHFFFAOYSA-N 448.546 4.754 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCC)cc1)c1ccccc1)S(=O)(=O)CCCC 1871921415 BLLWTPMUOBUPHY-QHCPKHFHSA-N 444.597 4.773 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)c(C)c1 1872103867 FSDLMHUOVLEOAG-QHCPKHFHSA-N 439.581 4.769 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872441863 UKBDANHCKIZCTE-KKSFZXQISA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872507300 KNIRLCUXHVUTSC-KUHUBIRLSA-N 441.018 4.940 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)cs1 1872767208 UTHQNDZVSWBJQJ-HNNXBMFYSA-N 428.813 4.770 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1cc(Br)ccc1O 1874371138 LGICOVBDXIWCHB-UDWIEESQSA-N 449.399 4.753 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(F)cc1 1874474948 ATZGHFHHLBTWHW-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cccc(O)c1 1874475274 RPAAEDRMTNRESM-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(CC)cc1 1874478844 VBLVLHYCTWCFIZ-LFVJCYFKSA-N 427.618 4.606 30 10 IJEE CCOC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2cc(OC)ccc2OC)o1 1874580897 LEZYZJSZLLCMAN-FMIVXFBMSA-N 436.460 4.949 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 1874694099 LMOQVNKGQYNEEX-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1OC 1874694360 ZDTDXWJMKDKLLY-RMKNXTFCSA-N 438.501 4.818 30 10 IJEE Cc1sc(Br)cc1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1879730326 LRZLWJLHKXITKZ-XIKOKIGWSA-N 426.185 4.517 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc21 1890517852 HCMPBCPMFDEZSW-UHFFFAOYSA-N 432.442 4.824 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CNCCC)c1Cl 1914946201 JRSYPOFWVIECBV-UHFFFAOYSA-N 427.397 4.870 30 10 IJEE C=C1C[C@@H]1C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 1996705241 NMWORRAPHBXACB-DHIUTWEWSA-N 427.633 4.880 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(C#N)cc1Cl 2010517983 UMAIOZLFBBQZAP-SFHVURJKSA-N 443.931 4.650 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)NCCC 2014403299 FOXRZKKTUGXKLQ-VABKMULXSA-N 432.605 4.590 30 10 IJEE Cc1cc(C=N[C@H](CO)[C@H](O)c2cccc(O)c2)c(C)n1-c1cc(Cl)ccc1Cl 2040465250 FKNSKBGQKBTFRA-IFMALSPDSA-N 433.335 4.620 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CO)c1Br 2079982286 UUOKIOAIOQZIHI-ZCFIWIBFSA-N 435.137 4.924 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCNc1ccc(C#N)c(Br)c1F)C(F)(F)F 2106019337 GRDISYRMRZASKX-LLVKDONJSA-N 440.235 4.717 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cccc(OC)c2Br)C1 2142389537 VOZGXGOJDXQZQG-QGZVFWFLSA-N 425.367 4.722 30 10 IJEE CCCN(Cc1ccc(Br)cc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2174558009 NTUHQQKTZYASRP-IBGZPJMESA-N 436.394 4.932 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(Br)cc1C#N 2181138695 DYGDKIFQYLCFNY-BBRMVZONSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN2c2cc(Br)c(C#N)cc2F)C1 2182070329 UWGTWCMXNLVDBP-HXUWFJFHSA-N 438.341 4.830 30 10 IJEE CN(Cc1ccccc1)[C@H]1CCCCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2219977189 PMVIKDKUUJJVME-NRFANRHFSA-N 440.462 4.534 30 10 IJEE O=C(C#Cc1ccccc1Br)c1ccc(I)c(Cl)c1 2227504004 BXSUOMGVRMZHSL-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE Cc1ccc(C#CC(=O)c2cc(Br)ccc2I)cc1 2231250314 ZBLXABKFGSVJDR-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(C[C@@H](N)C#Cc1ccccc1Br)C(F)(F)F 2235750680 XTJDZXRHECPKTD-KBXCAEBGSA-N 449.311 4.611 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 2262200157 OSQANTQCBYAZFB-RUZDIDTESA-N 447.572 4.657 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)n1 2267504449 SBTUORPXFUOKGW-LJQANCHMSA-N 436.405 4.766 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc3c(c2)OCO3)C1=O 2293261730 QEJKSXGMRYAGGU-UHFFFAOYSA-N 429.881 4.612 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2ccc(Br)cc2)CC12CCCC2 2296275345 ZKIKZGYTMRXUMD-QGZVFWFLSA-N 432.358 4.940 30 10 IJEE COc1ccc(CN=C[C@H]2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 2297736508 NJWWYXQNTHHZJM-HXUWFJFHSA-N 440.528 4.943 30 10 IJEE CCc1ccc([C@@H]2C(=C(O)c3ccc(OC)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc1 2297740382 UUXFFVGFXUDSBZ-XMMPIXPASA-N 442.515 4.583 30 10 IJEE CCCOc1cccc(C=Nn2c(C)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 2321068747 UTXPUXRLHZYJCG-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)c1 2323796081 YHOMANSIKOTPPI-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)OCc4ccccc4)c3C)C2=O)cc1 2324221190 WFQPWZMQMJEXSY-UHFFFAOYSA-N 430.456 4.742 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc([N+](=O)[O-])c1OCC 2324412836 RJTUELLLTIULES-UHFFFAOYSA-N 435.860 4.959 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)cc1C 2324450172 AKUGWKYDZBIEPP-UHFFFAOYSA-N 444.487 4.803 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)ccc3C2=O)c1 2324982616 GCRAAIMIYKCGQP-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)NC1CCCCC1 2325322692 LMYUBAUNWJFJNU-UHFFFAOYSA-N 429.875 4.923 30 10 IJEE O=C(O)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2325471269 SFGWHUDERCWWOF-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2327034115 XUFFEBGZXQNJNZ-UHFFFAOYSA-N 437.525 4.667 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)c(OC)c1 2328959727 QRVAPTFWNCHAHY-UHFFFAOYSA-N 436.581 4.858 30 10 IJEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329093463 SZDQEFYGQCYHIM-UHFFFAOYSA-N 437.352 4.884 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccco2)cc1 2329320674 PNHCAHVZJKUSLY-UHFFFAOYSA-N 449.492 4.671 30 10 IJEE CCOc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCC)cc1OCC 2329323086 WRFWCVDLEQRHPQ-UHFFFAOYSA-N 440.569 4.787 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCCCO)nnc2-c2cccs2)cc1OC 2330601845 PJBWYTIIWITAMG-UHFFFAOYSA-N 446.598 4.551 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(F)cc1 2330824101 GHBGLNXCXPWODG-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1cc(C)ccc1O 2331334845 OWUGAHAJKOYTJU-UHFFFAOYSA-N 442.541 4.579 30 10 IJEE C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccc(OC)cc1 14083198 BSUNNULTRZRTIG-UHFFFAOYSA-N 436.581 4.995 30 10 IJEE N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)Cc3ccc(F)cc3)c2)C1=O 34735394 UUPNYXOISWXEJV-UHFFFAOYSA-N 442.494 4.711 30 10 IJEE Cc1ccc(OCCCC(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 40900719 GQYFQKHPAWBGDW-OAHLLOKOSA-N 427.595 4.725 30 10 IJEE C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc(=S)c2C1 41011711 XZZODDNUQMJSES-SECBINFHSA-N 430.467 4.543 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)cc1OC 41355669 HEGSXSJQUZJMND-UCQKPKSFSA-N 430.456 4.777 30 10 IJEE CCCCNC(=O)NS(=O)(=O)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 59466521 RBUKFRLCWGWXLX-WSDLNYQXSA-N 428.341 4.532 30 10 IJEE CC(C)(C)c1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102489505 FQBWXBMYQJLFMV-BXCQRQNESA-N 425.550 4.646 30 10 IJEE CCc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(C)cc3)C(=O)c3ccccc32)cc1 103746105 MJZCBIPKORATTE-SLEBQGDGSA-N 430.529 4.928 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973356 VMJIFNVDCBZPSZ-LJQANCHMSA-N 444.516 4.728 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccs1)c1ccc2c(c1)CCCO2 170154448 ZCMSOEZUXLYEGF-FQEVSTJZSA-N 437.542 4.913 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccnc1 170195919 PYPLPHUFWQHPKA-FQEVSTJZSA-N 428.916 4.902 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccncc1 170203218 HAAYHYABUUKZET-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1C 170225257 UCPPUTDRTMLURI-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)c1 170228705 NAFMOBLRIGTZRQ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170235535 JVXLWDLZVIZNOD-OAQYLSRUSA-N 435.863 4.646 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(C)o2)c(C)c1 170306055 WJYJOIJVMFKAEB-NRFANRHFSA-N 439.414 4.966 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccs2)cc1OC 170416125 XNGJWPZXOGSLRL-LJQANCHMSA-N 441.530 4.605 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3)sc2c1 170481856 MUMQIALDRBWNRQ-FQEVSTJZSA-N 437.521 4.605 30 10 IJEE COc1ccc(-c2nc(S[C@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)n[nH]2)cc1 209602763 MBQWTVFBJYOPTJ-XWCAUFEOSA-N 434.565 4.842 30 10 IJEE CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 254611713 FVMGNICMGDDUNM-UHFFFAOYSA-N 433.961 4.561 30 10 IJEE CC1(C)OB(c2ccc(CNC(=O)c3cccc(OCc4ccccc4)c3)s2)OC1(C)C 405032019 QHQMWJANRUJVPD-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3-c3nc4ccccc4[nH]3)cc2C1=O 518375171 DIERRVXOWAJQEJ-UHFFFAOYSA-N 436.471 4.573 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 558988969 FJXALIVWFIYEKV-UHFFFAOYSA-N 443.595 4.791 30 10 IJEE CC(C)(C)OCC[C@@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1=O 571948026 VSALRLCRACAKIJ-SFHVURJKSA-N 427.888 4.634 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 585825426 HMVCBNPCGBPEKM-LVNIDGMPSA-N 425.960 4.988 30 10 IJEE C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccccc1-c1ccc(Cl)cc1 586863829 BHZQGNHTHCSDRF-OAHLLOKOSA-N 435.886 4.511 30 10 IJEE COc1ccc([C@H](Cc2ccccc2C)NC(=O)NCc2ccc(C#N)cc2F)cc1OC 609253261 WHAURFZUNVOMDW-QHCPKHFHSA-N 447.510 4.806 30 10 IJEE COc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2F)c2c[nH]c3ccccc23)cc1 609253910 BEBVOUUYZHNCTH-QFIPXVFZSA-N 442.494 4.819 30 10 IJEE C[C@@H](CCC#N)SCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 695785319 BMSFMJFBHVKKRK-AOMKIAJQSA-N 438.549 4.794 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)N(C)C(=S)N[C@H]1c1csc(C2CC2)n1 731432400 UFPOJJBRZOJBRT-INIZCTEOSA-N 448.411 4.644 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732399149 JLBPFUANCFKHLH-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccncc2)n(CC(=C)C)c1=S 764931265 RDXWJPTZHKFNRS-UHFFFAOYSA-N 436.541 4.606 30 10 IJEE C=CC[C@]1(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)CCCN1C(=O)OC(C)(C)C 791717848 LVKCIDHINWHSFJ-MZNJEOGPSA-N 441.528 4.995 30 10 IJEE C#CCN(C(=O)c1csc(C(F)(F)F)n1)[C@@H]1CCOc2ccc(Br)cc21 793501176 YJFTWHDSENJGNA-CYBMUJFWSA-N 445.260 4.524 30 10 IJEE Brc1cc(C=Nc2ccc(I)cc2)oc1N1CCCC1 1083962630 OJBUGTNZWGZVQT-UHFFFAOYSA-N 445.098 4.998 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccccc2Cl)n1 1084622461 FEOSZYAWFHKYNS-UHFFFAOYSA-N 446.989 4.747 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1125289213 BHVBSRBZRDKFDN-RXFWQSSRSA-N 442.600 4.704 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1125817090 WHZWMLPZAQXJTI-QHCPKHFHSA-N 448.947 4.637 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cc2c(F)ccc(Br)c2F)cc1 1128193633 OQDMWAFSCROHQE-UHFFFAOYSA-N 438.268 4.918 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1135399966 MNKQKUJKMTYTMP-RTBURBONSA-N 432.561 4.617 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1N1CCCC1 1142900489 MFKLVYLWHNRZAM-YTFSRNRJSA-N 441.616 4.504 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(OCCC(C)C)cc3F)ccc2c1=O 1144211965 IOVCBCTUBHAHBA-UHFFFAOYSA-N 441.528 4.688 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl 1144710211 AHKMHULAWIERFN-SFHVURJKSA-N 438.934 4.845 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 1155691241 USPPYKGDIIPWQS-QGZVFWFLSA-N 448.951 4.758 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@@H]3[C@H](C#N)c3ccccc3)CC2)cc1 1167463821 BPTBCBXKYGVTDO-KAYWLYCHSA-N 429.608 4.938 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc2n1 1178766363 XUCYFPQMPQNRDN-OAQYLSRUSA-N 434.540 4.687 30 10 IJEE C#CCN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCOc2ccc(Br)cc21 1191039285 OPYAQCZWDZALHE-GOSISDBHSA-N 447.279 4.881 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnn(-c3ccccn3)c2)cc1OCC 1201473408 NCGBMIVHQGGEBI-UHFFFAOYSA-N 429.318 4.605 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2nc3ccc(I)cc3s2)C1 1203756130 BULRUOVJEHYFND-NSHDSACASA-N 427.311 4.721 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1216891641 OIUJVHLYFZREED-DLBZAZTESA-N 441.494 4.972 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 1219084519 PDOGQRQFQXQEQG-DAXOMENPSA-N 429.405 4.515 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@H]3c3ccc(Br)cn3)cc21 1220204186 DSJBORCFSNSBIB-SFHVURJKSA-N 426.318 4.749 30 10 IJEE C=CC[C@H](CC)NC(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1227349681 WZVZWPILIRGCCW-WVMBUTMQSA-N 429.561 4.544 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1230826276 DTNWFXRWDJUSCY-DZFGPLHGSA-N 434.458 4.694 30 10 IJEE C[C@@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1233981605 IFPVQSHWDBOXRW-GOSISDBHSA-N 441.560 4.751 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)ccc1F 1264265741 IVSYADMGGFVXRL-QHCPKHFHSA-N 446.588 4.616 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1C 1286512724 NJLRBKARIDCTHX-NHCUHLMSSA-N 426.630 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCCCSC 1286520335 GUYLDQAJKJMSOP-XMMPIXPASA-N 440.613 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@@H]1C 1286566925 KINONWAJPIFBJB-UNMCSNQZSA-N 425.621 4.922 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1286680019 VGPGROGSGJHVMY-XMMPIXPASA-N 449.643 4.990 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1286683115 JLSBENUUBIGYHQ-DLBZAZTESA-N 448.036 4.548 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2CCOC2)CC1 1286689992 ITDLIKPRJARKFM-BHDDXSALSA-N 430.637 4.806 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cc(C)ccc1F 1286699377 RUKGEMNIKOQIMJ-UHFFFAOYSA-N 449.578 4.502 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1286751210 NASMMNVXJACFMZ-PKTZIBPZSA-N 441.664 4.641 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)SC 1286757588 RUFPDVYOVVWKMV-GOSISDBHSA-N 449.665 4.713 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CC)CCCC1 1286765574 RORHARIKECXPAK-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)CC(C)(C)C1 1286798425 HOXMUAMMKKGVRX-IBGZPJMESA-N 448.615 4.625 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(OC)CCCCC2)C1 1286800738 PXOXNRJKYMIDAD-XZOQPEGZSA-N 438.616 4.951 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2cc(Cl)ccc2OC(F)F)C1 1286807067 IWKBFQOCAIDJPF-QGZVFWFLSA-N 440.922 4.561 30 10 IJEE CC(C)c1ccccc1OCCn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1 1287166329 DHKVTHSROHNNNM-RUZDIDTESA-N 430.556 4.673 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1OC 1291884881 KTYOJRQHZVKKMX-CQSZACIVSA-N 427.339 4.646 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1 1293357957 BSXRCRFZMYDWKD-UXHICEINSA-N 425.552 4.953 30 10 IJEE C#C[C@H](NC(=O)c1cc(Cl)c(Br)c(OC)c1N)c1ccc(Cl)cc1F 1297713930 XGQRCEIDHAHGKP-ZDUSSCGKSA-N 446.103 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CC(OCC)C1 1300283099 LHPVGAFVLJHMKH-ZJRDLVKKSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1300348107 JFAXOPSRMLJUIO-IRXDYDNUSA-N 434.415 4.974 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(OC(C)(C)C)CC1 1300394310 OKURFYDWPVWHHY-UHFFFAOYSA-N 440.588 4.550 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)COCC 1300431243 VQDAGDDTYCHETL-SFHVURJKSA-N 432.996 4.820 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CCNc1ncc(Cl)cc1Cl 1300611976 PMRHEAHNYGAWKD-UHFFFAOYSA-N 443.382 4.781 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1300833317 ZEFRZVQNGCNEGX-HNNXBMFYSA-N 448.390 4.904 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N(C)Cc1csc(Br)c1 1300990586 LGLLPQSECYXWCH-UHFFFAOYSA-N 427.412 4.530 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301019124 HAEFETYMDLHIMQ-UHFFFAOYSA-N 449.411 4.751 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301027101 HWMOIFBJTIBGCE-QGZVFWFLSA-N 445.995 4.706 30 10 IJEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cc(Cl)ccn1 1301028807 AOVGAWZTNTWUJV-UHFFFAOYSA-N 425.323 4.931 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1301041065 JQKWUVSTCFEZQV-IAGOWNOFSA-N 436.025 4.889 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301159061 UJHIJJDNOCDBRR-CBGDNZLLSA-N 444.542 4.556 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1CC(F)(F)F 1301365533 SFRXLMVGCOBIHF-UHFFFAOYSA-N 426.439 4.813 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccc(F)cc1 1301452909 XKBWCUOOIAJCLL-IBGZPJMESA-N 443.567 4.744 30 10 IJEE Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)(F)F)n1 1304481126 AIGNQDIYPAZAFO-UHFFFAOYSA-N 428.462 4.542 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCCC1(C)C 1311326617 GYSMZXOSNZSRPH-KRWDZBQOSA-N 434.587 4.543 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1350614825 ADAHMEMEVAULPH-HOYKHHGWSA-N 426.495 4.783 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(SC)ccc2C)c(C(=O)OCC)c1C 1352312208 PQIBOVIPVXQERI-UHFFFAOYSA-N 433.551 4.859 30 10 IJEE CCc1cc(Br)ccc1NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1355701152 KVNFJOPMUWGKTO-QGZVFWFLSA-N 438.366 4.927 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCCOc1ccc(C)cc1Cl 1356180701 BDHFXFFYTUAODX-UHFFFAOYSA-N 432.900 4.937 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1358910172 GRCUCVSFXFQZRG-QFIPXVFZSA-N 435.959 4.683 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)SC 1359019996 OMFSVIGGOFZPOG-UHFFFAOYSA-N 432.659 4.503 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCCCC1 1359052274 ZIYYHWUSKAVWBG-UHFFFAOYSA-N 433.419 4.763 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)c1nccs1 1359109618 IQOKQJXKNQZTAX-INIZCTEOSA-N 427.574 4.625 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](CN(CC)CC)C1 1359148833 DUNRQYZCORMZMV-SFHVURJKSA-N 440.979 4.521 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccsc1)N(C)C 1359244508 GUHLBJHCIIKIIC-FQEVSTJZSA-N 427.643 4.865 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 1360369151 DCWDOZAGXIDGEM-UHFFFAOYSA-N 446.657 4.933 30 10 IJEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1360816961 AGZJJNYXSMHNSK-GOSISDBHSA-N 429.515 4.791 30 10 IJEE Cc1ccsc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1360955847 HJMBWKPUBCSCJN-INIZCTEOSA-N 425.533 4.715 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)n1 1436121651 SWONSDJDTXYYNW-JOCHJYFZSA-N 442.346 4.992 30 10 IJEE C=CC[C@@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1443269907 YIVQBSREHMCYHF-CLOONOSVSA-N 429.605 4.578 30 10 IJEE C#Cc1ccc(C(=O)N(CCOc2cccc(Br)c2)C[C@@H]2CCCS2)cc1 1448938062 XJRAXFTXFGEWNP-NRFANRHFSA-N 444.394 4.847 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1CCC(=O)Nc1cccc(C#N)c1 1459817372 BHFPDIMGWHNTSG-QFIPXVFZSA-N 444.501 4.897 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)cc1 1460696226 TXAIGPXPUKIQGC-HSZRJFAPSA-N 433.552 4.861 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccn2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472971135 MPMLUEBPMCIOLM-UHFFFAOYSA-N 448.573 4.745 30 10 IJEE Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1cn(CCC#N)nc1-c1ccncc1 1474170962 AURICWBHULYWHZ-LJQANCHMSA-N 442.567 4.651 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 1476128275 ZYSNDKUKTVQOBZ-UHFFFAOYSA-N 448.567 4.515 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(C)nc1N1CCCC1 1476729197 RGHJGTLOGXBGEW-UHFFFAOYSA-N 445.361 4.639 30 10 IJEE C=CCC1(CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CCCC1 1478629563 NKNOWGRWWCUJJK-HIFRSBDPSA-N 434.216 4.660 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2csc(C(C)(C)C)n2)n1 1492513210 BZEBTIYAFZZYOE-XMMPIXPASA-N 449.628 4.775 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCC(F)(F)F 1507655541 KONGCOGPORYRNM-UHFFFAOYSA-N 445.272 4.579 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507682477 PJXDXVWMRQTBAQ-JYJNAYRXSA-N 431.353 4.742 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1csc(C(C)C)n1 1507691878 JAQJJDMIOUYQJA-UHFFFAOYSA-N 432.597 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1507772747 UAUUVURTNFOETH-OPJGWUQDSA-N 440.563 4.584 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1507825107 PVXPMEHQFAITPA-MDNUFGMLSA-N 437.632 4.917 30 10 IJEE C=C(C)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@@]1(OC(C)C)CCOC1 1507836402 JTJNBGPOSUAPQP-DHJUGAMNSA-N 448.995 4.736 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(OC)CCC(C)CC2)CC1 1507878305 KYLRRVMNSPLRKS-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@](C)(O)CC)CC1 1507880446 JDZYVUDVECRWDT-LJQANCHMSA-N 439.785 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc(F)cc(C)c2C1 1507910136 HOEDOTSKUQMREN-UHFFFAOYSA-N 441.595 4.809 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccon1 1507911424 KOGLFXVDZNIIEH-UHFFFAOYSA-N 430.350 4.934 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1507912922 MEZHNFQZDUANNX-AVRDEDQJSA-N 434.588 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nnc(CC)s1 1508015169 MBLHMIIGGZFRHW-OAHLLOKOSA-N 440.642 4.772 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)OC1CCCC1 1508154569 BJKGOKUTWIHSGZ-UHFFFAOYSA-N 425.558 4.830 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)Cc1cccs1 1508161620 MPMAVGXMZWDCRA-FQEVSTJZSA-N 442.610 4.798 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@](C)(O)c2cc(C)oc2C)cc1 1513636813 CWAYXQBDCDWLQZ-AREMUKBSSA-N 447.583 4.755 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)OCc2cn(-c3ccccc3)nn2)c1 1519961210 AOHMOTGSKCHOBN-UHFFFAOYSA-N 430.851 4.942 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(Br)sc1C 1520235893 DZQBPUHIMGKYLA-UHFFFAOYSA-N 448.155 4.944 30 10 IJEE CCc1ccc(Br)cc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1520486469 HURKQZXFWXFFNA-UHFFFAOYSA-N 429.705 4.975 30 10 IJEE Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)OCc1ccccc1Oc1ccccc1C#N 1525713454 IFJBQYXMDBZECI-UHFFFAOYSA-N 440.503 4.843 30 10 IJEE CC[C@H](C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(Br)cc1 1528574738 CBBPSWGCEOBVRC-HNNXBMFYSA-N 427.277 4.778 30 10 IJEE CCOC(=O)c1c(NC(=O)CCCc2cc(Cl)sc2Cl)c(C#N)cn1CC 1529321563 CGTNXASRTCBMIJ-UHFFFAOYSA-N 428.341 4.886 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C1=C(C)OCCS1)c1ccc2c(c1)OCCO2 1530677654 IXFWFFAYXSEVAF-UHFFFAOYSA-N 439.533 4.551 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 1531574513 CDSWUUGCZRKCCW-NRFANRHFSA-N 430.589 4.979 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCN2C2CCCCCC2)s1 1535611610 HDSYNMBZZGPJKF-QGZVFWFLSA-N 428.067 4.752 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)cc1OC 1537681306 GMKMHUZVGMETBX-ACCUITESSA-N 439.508 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCCN1CCCC[C@@H]1C 1538970171 AJXWOYDLWRUQSL-PCCBWWKXSA-N 441.595 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)c1ccccn1 1538984264 FIOGTYVWWNXZQU-INIZCTEOSA-N 438.373 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CCCS1 1538992397 QLCWQTOXBVCCQV-DJJJIMSYSA-N 437.382 4.590 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(Br)cnc1Br)c1ccc(F)c(F)c1 1538995840 JULSBGYNEGHDSY-AWEZNQCLSA-N 446.089 4.932 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1539087555 WQOKJWRSHOODJK-OAQYLSRUSA-N 447.608 4.735 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1539115403 AGDBTFBWBWBCOV-LJQANCHMSA-N 446.599 4.522 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1539359716 PAGDDZMKTKMUEI-SANMLTNESA-N 438.616 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccccc1Br 1539617596 XUUQZOHRZFJAED-MJGOQNOKSA-N 433.394 4.782 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1 1539624154 QHPKSDRYVYUMTC-UNMCSNQZSA-N 433.581 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=CCC1 1539640421 HQQVBLGBWNHDLT-IERDGZPVSA-N 449.382 4.911 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539701486 IXMGKYRUZSRQGQ-WOJBJXKFSA-N 443.636 4.985 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1539710511 RZCIRAFZSSWDGC-INIZCTEOSA-N 438.373 4.726 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)C2CCCCC2)CC1 1539877979 NAOYOCZGRNPLLA-XMMPIXPASA-N 439.560 4.587 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC1 1539917181 RPWQPVJYAKCFOL-GOSISDBHSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](COC)C1 1539953909 PPTZGSOEIBDUMT-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 1539981478 IVEXXNCAIFIVBP-CQSZACIVSA-N 430.961 4.779 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)C[C@@H]1CCCO1 1539988990 LXQOOFSNQCDCRN-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1cscc1C 1540122572 XOJQSOUQSMBLHI-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1541512335 HGSOXPSLRLBPOG-IBGZPJMESA-N 446.640 4.741 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCN2CCc3ccccc3C2)c1 1543283533 DWWUGJXJWZLEDF-UHFFFAOYSA-N 431.923 4.792 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 1543727151 DATFSCUHMHHXNC-UHFFFAOYSA-N 435.936 4.991 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)cc1 1544088385 YTRSCKDSBZASTN-GOSISDBHSA-N 434.561 4.670 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)C1 1546106021 GRSFSIQBIIPVER-LJQANCHMSA-N 427.643 4.682 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1547304980 DABMTUHAQZFFPW-PSWRPDDJSA-N 437.588 4.730 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 1557406496 AHMWDUHDSZRVEE-INIZCTEOSA-N 428.374 4.942 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(C)c(I)cc1C 1559828351 OAPNNJLPUKQMNL-UHFFFAOYSA-N 425.310 4.572 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cc(Br)ccc2OC)cc1OC 1560378359 VOSSTVDIVRPGNB-UHFFFAOYSA-N 426.738 4.974 30 10 IJEE C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(-n2cccn2)c(F)c1 1562155708 GVJIMTNSFXKYJH-OAHLLOKOSA-N 446.511 4.813 30 10 IJEE COc1ccc(CCC(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)c(OC)c1OC 1583689225 FXIDIJZWWSMZGV-KGLIPLIRSA-N 428.554 4.903 30 10 IJEE C=CC[C@@]1(C(=O)N(C)C[C@H](C)Cc2ccc(OC)cc2)CCCN1C(=O)OC(C)(C)C 1583923308 ZFKODBPZHVRKGU-CLOONOSVSA-N 430.589 4.678 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1ccc(Cl)c(Cl)c1 1585919732 QDBCRDHUPSAGIX-MRXNPFEDSA-N 448.393 4.621 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2C=C)c1 1586392358 UXTYHHIVUIPEPY-GOSISDBHSA-N 444.984 4.902 30 10 IJEE CN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(F)cn1 1587438932 HNIWYUPFTXXYNI-UHFFFAOYSA-N 432.299 4.721 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCC1CCOCC1 1587580352 OUWFLQBYWKKREJ-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(CC)(CC)SC)c1 1587683101 BHQMRLUMRVXBEM-UHFFFAOYSA-N 441.645 4.554 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1587883960 OONXKWJTFWEDEZ-UHFFFAOYSA-N 428.527 4.985 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1C(F)(F)F 1588459249 PTMJTKJROMFSOL-UYAOXDASSA-N 448.533 4.918 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N 1588984866 LCIUVXDZAHKPJZ-MSOLQXFVSA-N 446.020 4.793 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCO[C@H](C)C1 1588985111 OESIKDYOYHXSSH-OAHLLOKOSA-N 447.029 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1589223619 PUEPLIRNKOLSSO-UVWWXKGLSA-N 438.591 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC(C)(C)N1CCC[C@H](C)C1 1589669080 JNFBPMXPOUVPNS-NRFANRHFSA-N 439.648 4.790 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC2(CCCCC2)C1 1593600663 ZHTRCXVSSOSQIS-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCSC2(CCOCC2)C1 1594697471 CJQWYNHIYBRXOL-UHFFFAOYSA-N 436.984 4.806 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN1CCC[C@@H](C)C1)C1CC1 1595027031 WGLMYCSOLWVJOM-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1N(C)CCCC1(C)C 1595239903 WHBISPPWANILBV-HSZRJFAPSA-N 432.616 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[C@H]1C 1595243769 DWDNFXMOJTUBHQ-HUUCEWRRSA-N 430.350 4.520 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[C@@H]1C 1595243770 DWDNFXMOJTUBHQ-LSDHHAIUSA-N 430.350 4.520 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)n[nH]2)c1C 1595746061 BYJWESKNVIRSLT-JOCHJYFZSA-N 436.519 4.984 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCSC2)C1 1595844378 ALMJQXPHANUVOX-HTAPYJJXSA-N 448.633 4.810 30 10 IJEE C#Cc1cccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1 1618027399 QHDOQOIUCHHLAS-UHFFFAOYSA-N 432.526 4.936 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](CC)C2)c1 1624364048 UMTNJJKKTKJIOY-SFHVURJKSA-N 447.000 4.984 30 10 IJEE CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1624848704 GEAGKWLXFXPNLO-SFHVURJKSA-N 436.581 4.726 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1)c1ccccc1 1625196594 FSKBWOUDUKJYCZ-QHCPKHFHSA-N 439.515 4.919 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 1626250977 FVBGHBKDANVUNV-RUZDIDTESA-N 448.975 4.899 30 10 IJEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 1631166293 GQGDMXZTGYDACB-IDISGSTGSA-N 439.559 4.778 30 10 IJEE C=C(C)[C@H](NC(=O)N1Cc2ccccc2OC2(CCOCC2)C1)c1ccc(F)c(F)c1 1634438725 DUIYFUCSSXIGGG-QFIPXVFZSA-N 428.479 4.735 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](c2cccs2)C2(CO)CCC2)cc1 1640116545 DNNODIKDSZVICU-QHCPKHFHSA-N 432.545 4.832 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc3sc(=O)n(C)c3cc2C)s1 1640212761 XAHJDKRIXLJLQS-UHFFFAOYSA-N 440.015 4.699 30 10 IJEE C=CCC[C@H](CO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1640585092 JQWWDLKRKOLLMY-MTMYEVCSSA-N 437.521 4.579 30 10 IJEE C=CCn1c(SCCCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1C 1643753232 LGORNENYKKXDQB-UHFFFAOYSA-N 432.549 4.608 30 10 IJEE CN(CCC#N)C(=O)CCN(C)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 1652665407 IFERKSHTITZSIL-NRFANRHFSA-N 448.792 4.886 30 10 IJEE C=CCC[C@H](NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 1653910780 HRMYIMPGRZJXRL-QFIPXVFZSA-N 449.492 4.790 30 10 IJEE C=CCn1c(Sc2ccc(Br)c(C(=O)OCC)n2)nnc1-c1ccoc1C 1654926535 JAZLPCXGAVNXPS-UHFFFAOYSA-N 449.330 4.518 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2ccc(O)cc2)n(-c2ccc(F)cc2)c1C 1657589259 CRCBOQXSFUUTDK-QHCPKHFHSA-N 432.499 4.586 30 10 IJEE C=C(C)COc1cc(CNCCc2ccc(I)cc2)ccc1OC 1658346108 HVUPGTSGHPDKBV-UHFFFAOYSA-N 437.321 4.587 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2cccc(COc3ccccc3)c2)CC1 1658545352 GEMYNEDJFTYVOQ-UHFFFAOYSA-N 426.520 4.928 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2n1 1664850458 SLHDWHBVWQUFFG-UHFFFAOYSA-N 435.528 4.569 30 10 IJEE C[C@@](NC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1)(c1ccc(F)cc1)C(F)(F)F 1665030505 HELYEYLQZYEQKV-NVXWUHKLSA-N 438.343 4.655 30 10 IJEE O=S(=O)(NCc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1 1665318037 DGSNMFSSKZAHKI-UHFFFAOYSA-N 435.748 4.995 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 1666187551 ASHMKDGQENDBCU-OAQYLSRUSA-N 442.899 4.808 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)cc1 1666389383 DWMNJJJSVSGIDR-UHFFFAOYSA-N 443.494 4.758 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCC2(c3ccc(Br)s3)CCC2)cc1 1668209978 ITGFCWDQQLWWOL-UHFFFAOYSA-N 448.386 4.670 30 10 IJEE COc1cccc([C@@H](NC(=O)Nc2scc(C)c2C#N)c2cc(F)ccc2OC)c1 1669735544 CAQDLYCCBYWLDQ-HXUWFJFHSA-N 425.485 4.996 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccn(C(C)(C)C(=O)OC)n1)c1ccc(C(F)(F)F)cc1 1671802390 CVNIXPYAVGIXSC-INIZCTEOSA-N 438.450 4.639 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)cc2n1 1673220510 KNQDSBLTONGBKX-UHFFFAOYSA-N 443.482 4.935 30 10 IJEE C#CCN(C(=O)NCc1ccc2occc2c1)[C@H]1CCOc2ccc(Br)cc21 1674248027 XMABYMNVCHIPKZ-IBGZPJMESA-N 439.309 4.864 30 10 IJEE C#CCN(C(=O)NCCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCOc2ccc(Br)cc21 1674376018 HGJICDPKEVZFED-NSISKUIASA-N 449.389 4.513 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(ccn2CC(=O)OCC)c1)[C@H]1CCCc2ccccc21 1674378152 WCFKBNZUEFEMIQ-DEOSSOPVSA-N 429.520 4.749 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CC=C(c2cccc(Br)c2)CC1 1675013699 ARESRNZMWWPDMW-UHFFFAOYSA-N 429.289 4.921 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1nnc(-c2cc3ccccc3o2)s1)C(C)C 1676370907 AHDQKTVVSHKLNF-KRWDZBQOSA-N 425.558 4.771 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 1677622883 XXRRTHRHFAAKCC-YWZLYKJASA-N 433.346 4.589 30 10 IJEE N#Cc1nc(NC(=O)NCC2(c3cccc(F)c3)CCCCC2)ccc1Br 1679661108 CENGACMKUPZDMH-UHFFFAOYSA-N 431.309 4.878 30 10 IJEE C=CCc1cc(CNC(=O)NCCc2nc3cc(Cl)ccc3s2)cc(OC)c1OC 1683367217 KGGSKCANXGELIA-UHFFFAOYSA-N 445.972 4.737 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 1686532925 HEPIIUDCRFUOTK-VSKRKVRLSA-N 448.485 4.684 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)COCC 1689863218 OSOPKXODXXZGCC-OAHLLOKOSA-N 439.387 4.685 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](c2ccco2)C1 1690184324 HAUWPANLZNQRCL-IBGZPJMESA-N 438.622 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCN(CCC)C1 1690198485 PSOLAUYCOVVCBV-GAJHUEQPSA-N 446.426 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1OCCC1(C)C 1690260384 JGTANXGDIPIVPE-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCSC 1690265868 VITAXMAOQPHEIQ-UHFFFAOYSA-N 437.654 4.548 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1Cc1nnc(C(C)(C)C)s1 1690271117 DOVVHKIZFKGWBX-UHFFFAOYSA-N 444.580 4.596 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1690305094 XBTLCACQHZLFGR-UHFFFAOYSA-N 433.478 4.578 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CN(CC)CC)C1)c1ccccc1 1690326112 SAIXSUFDHGLDFK-QFIPXVFZSA-N 435.641 4.812 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2c(C)cccc2C)CC1 1690415138 YVPCTUVWCSUCBD-UHFFFAOYSA-N 449.624 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690424216 HPQZUXPRPIIUKG-UHFFFAOYSA-N 430.478 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCc2ccccc2)CC1 1690428211 ISQBHVYKOCPCBF-UHFFFAOYSA-N 444.627 4.616 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1690455381 HGXUQECGZZABAB-YGKZAACZSA-N 448.970 4.867 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1690455834 OTHRYHLENHUYPJ-UHFFFAOYSA-N 430.600 4.888 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCCC2)CC1 1690467611 CJAILRGCAASCKH-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C 1690567364 ATJCMBRBCNSAJI-AYWYSENESA-N 437.588 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690586921 WIFDTADQENQEDT-FPOVZHCZSA-N 439.560 4.873 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1CC 1690593140 UXPNBTXANLOYFJ-PMACEKPBSA-N 446.599 4.680 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CC(C)(C)C2)C1 1690685576 ADWQKERZENUCDS-LAUBAEHRSA-N 428.552 4.775 30 10 IJEE CCC(CC)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC#N)CC1)OC 1694279189 BOCSLICKLMUMOG-WOJBJXKFSA-N 431.625 4.532 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1698402164 HOOUSFCCXMVWIU-PZJWPPBQSA-N 440.661 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN(CC(C)C)C1 1705484483 POULZAGZALTDBD-MSOLQXFVSA-N 431.987 4.564 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCC1(C)C 1705576541 MENWVAIKPYMMIO-MRXNPFEDSA-N 443.364 4.746 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705593386 AHZWPBWPQIIIEN-KNQAVFIVSA-N 439.003 4.903 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCCCO 1705696287 MMCVNIKZJMLAPB-JTHBVZDNSA-N 440.632 4.823 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CCC1 1705704550 WIJDKPKDQSWECW-FXAWDEMLSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCc1cccs1 1705705732 KUCWJBDHILNXTA-RXVVDRJESA-N 428.627 4.652 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C)C1 1705710016 UPQRZAYSSLKIBC-MSYCTHLASA-N 442.629 4.797 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)c1nccs1 1705721571 JLFNHQKDLUGSDT-CQSZACIVSA-N 432.391 4.980 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1705732141 OYPVWUUMSHNSEB-QZTJIDSGSA-N 431.378 4.535 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCCCC2)C1 1705749919 MNXZCMRECTWPMT-UHFFFAOYSA-N 431.924 4.535 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1705783646 OLOLISHIJMPOHL-RUZDIDTESA-N 444.627 4.532 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1705784568 AJRQNCKXPXSJRM-FQEVSTJZSA-N 430.980 4.728 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1)c1ccccc1 1705796277 BZSJMMZRCNVKAP-DHIUTWEWSA-N 435.616 4.791 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC=C(c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1705802547 OGYLGIPODPCJFT-SANMLTNESA-N 436.600 4.826 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC1CCN(CCC)CC1 1705865657 QBUUNAFGKBHWBU-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCOC(C)(C)C)C1 1705916621 QIKFCKDIAYZNPO-PXNSSMCTSA-N 448.995 4.668 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1706074682 CHTQAGAZGZCIAL-RTBURBONSA-N 446.640 4.815 30 10 IJEE CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N)N1CCCC1 1708772952 HBYZGHHENBVSSJ-NLWGTHIKSA-N 445.011 4.542 30 10 IJEE CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1708794082 HXXOXDBQNNQXND-DENIHFKCSA-N 441.551 4.646 30 10 IJEE N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[C@@H]2CCCCO2)CC1 1712881640 CAKTYZACVFKCBM-IBGZPJMESA-N 445.514 4.636 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](c1ccco1)N(C)C 1722300196 WZFUSBGPVGNWFP-IRLDBZIGSA-N 449.599 4.643 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](CC)C1 1722315533 WTNUIQIZVCVENC-LSDHHAIUSA-N 437.407 4.576 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1722454303 AYMDBWPSOOOKNL-QFIPXVFZSA-N 440.657 4.860 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)c1nccs1 1722476200 OPAQZWANSWNNOZ-YADARESESA-N 435.597 4.726 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1722562725 JPRRWJWPJFVFRF-FGZHOGPDSA-N 437.632 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722575263 CBNAJYIXNQDMFR-SFHVURJKSA-N 448.398 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(=C)Cl)CC1 1722575296 DGMFJTSMQOMQID-UHFFFAOYSA-N 437.769 4.871 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2Cc2nccs2)CC1 1722576817 PRAQTDBVRIMXKE-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1722578620 TZOXNOQYWZYTJE-UHFFFAOYSA-N 435.572 4.716 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1722637718 VYPXXKXFSDDTFE-WIYYLYMNSA-N 431.378 4.535 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1722694463 WMAHGLFJSDQKBQ-YUXAGFNASA-N 435.616 4.560 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(N(CC)CC)CC1 1740581990 IPPRUIPAYRPUSF-UHFFFAOYSA-N 439.673 5.000 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740712811 VBKVKIUZQKZHHO-DEOSSOPVSA-N 426.630 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cc(Cl)ccc2OC)nnc1C(C)(C)C 1740766144 GDQAYUSZFMUHBT-UZLBHIALSA-N 432.996 4.855 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740789187 ICZFQOFWEKKFFR-RDJZCZTQSA-N 439.387 4.848 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740861020 YZDRQONRGNAHQS-GOSISDBHSA-N 429.565 4.648 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1740915777 RYAXBAIAKBMXAS-RTWAWAEBSA-N 425.621 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1C 1740917181 JIXOTTPVGJLBBA-DVECYGJZSA-N 443.599 4.640 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740943496 RDFIISHYEGIUDX-QHCPKHFHSA-N 435.616 4.625 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1748757913 OXEKYVYIYVQHKB-QFIPXVFZSA-N 447.652 4.812 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC1(C)CCC1 1749056718 QJOXPGBQUQTQEF-JOCHJYFZSA-N 443.389 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749079104 XQDNCXMTOCHYNQ-XCRWMPKNSA-N 449.643 4.668 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ncc(Cl)n1C 1749181788 FFMDYFLSPFREIQ-CQSZACIVSA-N 431.009 4.731 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1749203995 RCBCJVHBQQGNJE-HSZRJFAPSA-N 437.632 4.834 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCOCC(F)(F)C(F)F)CC1 1749293507 PLJJFTKNEALLJL-UHFFFAOYSA-N 426.458 4.581 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN(C)Cc2ccccc2)CC1 1749293930 IZCBJPWBVXWDIL-UHFFFAOYSA-N 436.991 4.672 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)c2ccsc2)CC1 1749343998 YCIZSXWKZRROIN-HSZRJFAPSA-N 444.551 4.519 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](CN(CC)CC)C1 1749415662 RAQDBKNADZPQHP-OAQYLSRUSA-N 432.616 4.936 30 10 IJEE COCC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)CCCCC1 1749416651 CLGWLMFPQWGFDZ-GOSISDBHSA-N 429.996 4.715 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@H]1C(=C)C)C1CC1 1749508273 MWYFVPHQPDGVNC-SVMVAKDDSA-N 426.536 4.693 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CC1(O)CCCCCC1 1749565383 LASWSBIYAKFTIK-UHFFFAOYSA-N 445.405 4.971 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1749614478 ZLHLJQOZBNGJSU-UHFFFAOYSA-N 439.604 4.922 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)c1cccc(C)c1 1749658577 MNFUIGZMNKQUDO-UHFFFAOYSA-N 435.597 4.654 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C#N 1752565827 HQXYMXBMLICEOH-MHPIHPPYSA-N 441.620 4.548 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1760133066 UUGQBUZXOKNQKK-XZOQPEGZSA-N 449.643 4.848 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)c1nc(C)cs1 1760164996 GOXKWGKTCAJLAR-QGZVFWFLSA-N 444.608 4.991 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(CCC)CC2)CC1 1760256626 QKRRRTRNHUAJFZ-UHFFFAOYSA-N 432.399 4.587 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCc1cccs1 1760274843 VCPFWOSLCCYCFK-UHFFFAOYSA-N 447.633 4.909 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[C@@H]21 1760303191 FVMHDIKVHVJPIH-QWRGUYRKSA-N 444.196 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC1CCOCC1 1760334006 MVXXYEZWQZQQNE-UHFFFAOYSA-N 434.588 4.740 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1760355533 NLPJOTVLPNTDNX-KRWDZBQOSA-N 427.499 4.717 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOc2ncccc2Cl)CC1 1760403188 JFRBAIFLOWIWKG-UHFFFAOYSA-N 441.938 4.538 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1760433452 GRPBZBQCKFUMKL-LJQANCHMSA-N 441.645 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC[C@H](O)C1 1760458190 WHJRGSRLYREDPU-ZFWWWQNUSA-N 439.785 4.534 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccnc(OC(F)F)c1 1760490871 MBGAUQHICHFZEB-UHFFFAOYSA-N 437.450 4.914 30 10 IJEE CCC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1765552708 GGJOMNVUDVLUPW-GCJKJVERSA-N 425.577 4.526 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccccn2)CCCCC1 1770992330 BCTUCDRIMAYYLX-UHFFFAOYSA-N 444.583 4.835 30 10 IJEE CCOc1ccc(CCn2ccc(=O)c(OCc3ccccc3C#N)c2C)cc1OCC 1857910191 DMMNTCNNXRLNLH-UHFFFAOYSA-N 432.520 4.648 30 10 IJEE Cc1ccc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2F)cc1Br 1860731302 KFFYVMAEPIJWLZ-QPJJXVBHSA-N 441.094 4.880 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1OC 1861348970 UYESCYGHLMLWSN-JOCHJYFZSA-N 428.548 4.652 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)/C=C/c1cc(OC)ccc1OC 1861728667 GKYADDLIOUKFNF-JWIKTPOESA-N 432.605 4.869 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862669380 UVRFCQMMQLZCNS-VLIAUNLRSA-N 447.453 4.788 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862686820 DEAQBGSMAKBZNX-WAIKUNEKSA-N 429.472 4.740 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cc(OC)c(O)c(OC)c1 1862721947 TXZLIJKXXHVGHE-QFIPXVFZSA-N 447.487 4.551 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccc(F)c2)c1 1862748407 ADXIWENOJMUQJI-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 1862959718 CIUIQYPUSPGTGX-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CSc1ccccc1 1870203473 OLSANWCQYLRXPU-UHFFFAOYSA-N 434.561 4.961 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871447830 CPAXKNGTKOHFJN-BXSODOALSA-N 448.500 4.729 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CC 1872202359 XREVUEXIPQRQGS-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872209991 STYNGAIOZYJFSF-QHCPKHFHSA-N 428.598 4.997 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)c([N+](=O)[O-])cc1OC 1872772796 TUMUERYISUZYOC-MRXNPFEDSA-N 437.477 4.842 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1Br)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773744 XEHUEVOJAYIZTG-ZDUSSCGKSA-N 427.279 4.791 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)N(C)Cc3ccccc3)cc2[nH]1 1872801631 VNVFJISQLJZTKJ-UHFFFAOYSA-N 427.504 4.979 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2CCCOC 1873656661 GKIGHJGLLRGPAZ-UHFFFAOYSA-N 433.556 4.515 30 10 IJEE CCCCCCCCCCNC(=O)CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O 1873936950 UGPPGRCOMYKEIU-FQEVSTJZSA-N 435.996 4.798 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874257510 DNSKTPIJQFULOH-HYARGMPZSA-N 425.514 4.712 30 10 IJEE C=CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874277332 PZOOMDMSGASIDW-BFTFCADCSA-N 439.629 4.850 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)n2/N=C/c2ccco2)cc1 1874387823 HJUCNPGGEWXCAQ-MFKUBSTISA-N 445.548 4.692 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2F)nnc1C(C)(C)C 1874481269 QUAHSFLEAUSZFV-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1F 1874487181 DGJBCSVBZRWPGF-OPEKNORGSA-N 447.486 4.507 30 10 IJEE Cn1cc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CC2)c2ccccc21 1874518473 VBVJUAZBHAZYML-FSJBWODESA-N 432.509 4.730 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C(C)(C)C)c1OCc1cccc(Cl)c1 1874559385 OJRMEYSKJPVUFV-FSJBWODESA-N 430.961 4.988 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCCOc2cccc(C)c2)ccc1OC(C)C 1874567432 XHPASAWVCGMJKM-BUVRLJJBSA-N 440.569 4.565 30 10 IJEE COc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc(Cl)cc1Cl 1874571160 ZBWYFAVCKBSGOP-WSDLNYQXSA-N 437.352 4.776 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874698400 UUFLAMUQWIIDNJ-NTEUORMPSA-N 433.416 4.727 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 1875111493 CPNGLJRPFVQVKW-JBVUFVISSA-N 445.855 4.627 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912177220 CTIHNUCEFVCXPC-HRAATJIYSA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC[C@H]21 1940550665 IVDKTOJJRDRUKB-MDOVXXIYSA-N 447.498 4.858 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NC 2041171031 FJOSGAWCXNBCCF-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048502635 AVZJXYWFCCFCIC-DLBZAZTESA-N 430.770 4.621 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2060626730 AIESCLOKWNMVDS-UHFFFAOYSA-N 430.354 4.697 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3COC[C@H]2CN(Cc2ccccc2)C3)cc1 2111468015 KHTRJPFIHBWWJO-DHIUTWEWSA-N 447.579 4.777 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2F)NC)C1 2126683340 AARRSTJRSHMWOY-KRWDZBQOSA-N 427.358 4.580 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2200686346 LOWPVFQVWKDRII-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2ccccc2Br)CCC12CCC2 2235726185 JUVPFQDHLKHKGD-MJGOQNOKSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@H](O)C#Cc2ccccc2Br)C1 2235740196 NFCCUGHJSMPATH-IEBWSBKVSA-N 434.374 4.589 30 10 IJEE Cc1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc(C)c1C#N 2254634134 MRVDYJQCWHENQO-PGRDOPGGSA-N 437.540 4.612 30 10 IJEE C=C1CC(COc2ncc(Br)cc2C(F)(F)F)(NC(=O)OC(C)(C)C)C1 2265363885 XZDUJEIWMLFSKC-UHFFFAOYSA-N 437.256 4.855 30 10 IJEE C=CCCC1([C@H](O)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266232046 MLGJQPZBKSJKNC-MRXNPFEDSA-N 432.305 4.964 30 10 IJEE COc1cc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2267100048 PQNRFFPVUPAVKY-UHFFFAOYSA-N 446.353 4.853 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2267226923 XUXGGPSZUBQKTN-UHFFFAOYSA-N 448.344 4.661 30 10 IJEE Cc1cc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)ccc1CNC(=O)OC(C)(C)C 2279012526 DLOQJMNSHKLSGB-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CC1(C)OB(c2cnc(Oc3cc(F)c(Br)cc3Cl)c(F)c2)OC1(C)C 2284387486 QDVDFCPWVBUURA-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](O)C#CC1CCCCC1 2289620246 QFAMTFPYXSJHTP-UXHICEINSA-N 436.390 4.830 30 10 IJEE 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C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508935628 OHHINYHLNMRUHZ-MRXNPFEDSA-N 442.951 4.587 30 10 IJEE N#Cc1cccc(/C=C\c2nc(-c3ccc(OCc4nnc5n4CCCCC5)cc3)no2)c1 546233742 GMDRDDCDPXSKJE-JYRVWZFOSA-N 438.491 4.676 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)N(CCCOC)Cc2cccc(C#N)c2)cc1 586179604 PFLUPPSXBWIGEC-UHFFFAOYSA-N 428.598 4.908 30 10 IJEE Cc1ccccc1C(=O)NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 586505970 BSVOKXZAEXFVGT-UHFFFAOYSA-N 442.364 4.748 30 10 IJEE C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ccc(C#N)cc1F 609229575 ZODDRKRDZWPCJL-CYBMUJFWSA-N 429.904 4.944 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(OCc2ccccc2F)CC1 670212007 JVJYPZOGXJNVTM-DEOSSOPVSA-N 448.542 4.855 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405011 BFFGYFNJJYDKAR-LJQANCHMSA-N 440.956 4.809 30 10 IJEE O=C(/C=C/c1cnn(-c2ccc(Br)cc2)c1)c1ccc(C(F)(F)F)nc1O 731563785 VFBDMMDMUSXJCD-LREOWRDNSA-N 438.203 4.650 30 10 IJEE C#CCN(C(=O)c1sc(C(C)C)nc1C)[C@@H]1CCOc2ccc(Br)cc21 733116114 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C[C@H](Sc1ccccc1Cl)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1156560008 FAPSFORGCBHHOR-KXBFYZLASA-N 434.392 4.883 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 1157201832 KTQDJKYLVXSULG-TZIWHRDSSA-N 449.661 4.586 30 10 IJEE C=CCOc1ccc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C)cc1OC 1162717726 AUESRMXIVPDNJJ-SFHVURJKSA-N 444.572 4.512 30 10 IJEE C=CCOc1ccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1 1183432003 BPOIECFKOUIIRE-UHFFFAOYSA-N 426.472 4.815 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 1188620486 LLBUKZOOTZUEII-LJQANCHMSA-N 442.947 4.745 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC 1206203353 OUXQIFGFCRFWFK-GUYCJALGSA-N 441.366 4.892 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](CCC(=O)OCC)C1 1219084433 LNRWGCSFSIMMIO-OAHLLOKOSA-N 439.350 4.601 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2c(OCc3ccccc3)ccc3ccccc23)nn1 1230271410 FFQARPAVBXRXNT-UHFFFAOYSA-N 441.535 4.538 30 10 IJEE C#C[C@H](NC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1 1230489420 PWZBGVSJFKBTBI-RDPSFJRHSA-N 426.944 4.613 30 10 IJEE C#CCN(C(=O)[C@H](CC)OC1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1265209822 JSXUYIGSTUJMHY-UXHICEINSA-N 434.374 4.862 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC)C(C)(C)C)c1 1274137762 JWGKVCULQMHWPF-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCCCO1 1286306433 UZSMDVKINVRAAH-WBVHZDCISA-N 437.371 4.581 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](OCC)C1 1286337962 ZPRWPDYNIHBLEL-QHCPKHFHSA-N 431.584 4.771 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1c(F)cccc1F)C1CC1 1286343186 IOTSUQKFSVJVBZ-UHFFFAOYSA-N 427.886 4.854 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](c1cccnc1)C(C)C 1286448833 BCELOJPGHBZDER-QHCPKHFHSA-N 426.568 4.645 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC=C(C(F)(F)F)CC1 1286500912 HCSARADZSKKEJV-UHFFFAOYSA-N 444.885 4.803 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1c(C)noc1C 1286529381 ZSYPLERQWYZQTB-WKZBXGDDSA-N 439.604 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccon1 1286551180 KUXMTYDXKHCDBJ-UGKGYDQZSA-N 435.572 4.848 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1286560819 JCQWVLCWWFYNHI-UGTOYMOASA-N 442.579 4.707 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc(Br)cs1 1286608266 OZNQTRGRWXFMAV-UHFFFAOYSA-N 441.439 4.920 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1286643952 BKXJGZUWRBINBK-UHFFFAOYSA-N 440.592 4.580 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCCCO)CC1 1286657143 UMMWGCXWMKOMSN-UHFFFAOYSA-N 437.613 4.942 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CCC)C1)c1ccccc1 1286679208 MBBPZDQIYAZYBJ-BJKOFHAPSA-N 431.584 4.629 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 1286679879 UQHVFCWVOPIHSK-REWPJTCUSA-N 431.584 4.628 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1Cc1csc(C)c1 1286740015 BCGSISRMWYSHRZ-NRFANRHFSA-N 438.597 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCc1csc(C)n1 1286754674 RZMVPENBEWKKFS-UHFFFAOYSA-N 444.402 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCC(C)(C)C2)C1 1286806011 YIBBLGYKGNJFAR-LJQANCHMSA-N 444.023 4.502 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCCS1 1287085184 DNAQENBBLZQLMF-XUVXKRRUSA-N 431.650 4.612 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1300419635 PYRFHKHZYZQMNI-SFTDATJTSA-N 443.636 4.554 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CC 1300642779 DSCYWAYZFKBKGM-IBGZPJMESA-N 432.037 4.558 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1300894518 DJBJIUDOMLPYHH-RBBKRZOGSA-N 437.588 4.531 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1301049889 HJHQBRHPCDCHCC-FQEVSTJZSA-N 426.948 4.897 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1301065372 DSAYENGJPJVVAX-CEXWTWQISA-N 430.980 4.901 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(CC)CCOCC2)CC1 1301066463 PWAYXYJZYKFBPS-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2OCC)CC1 1301129358 PDQCTOSKGXZQRP-UHFFFAOYSA-N 437.613 4.792 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301143634 MDJHAYGADMWOCN-DZGCQCFKSA-N 443.901 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](COc2ccccc2)C1 1301154537 UVESAFYQADJADB-OAQYLSRUSA-N 431.584 4.772 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 1301162859 DHOLCSCKQSDWGW-JOCHJYFZSA-N 447.583 4.511 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1C(C)C)c1ccccc1 1301168057 KYAMPCUQNTYGJI-ZJZGAYNASA-N 438.616 4.987 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(c2nccs2)CC1 1301207333 UFXYJTNVYIYKLZ-UHFFFAOYSA-N 428.993 4.738 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1301216834 STVIKSJRPRAULM-KDURUIRLSA-N 434.588 4.514 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)[C@H](C)CC)C1CC1 1301316198 HUYOEYLAGKWXAF-QVKFZJNVSA-N 433.394 4.660 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1301371796 GKTTUINGMWCARQ-FHWLQOOXSA-N 428.552 4.939 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1301420796 KFLIGDXQSOGNNR-RXVVDRJESA-N 430.568 4.564 30 10 IJEE N#Cc1cc(F)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 1302444904 IACOKGDCNSOSPC-UHFFFAOYSA-N 447.850 4.543 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1OC 1308627832 OPNLCPLJLSTBGI-UHFFFAOYSA-N 447.938 4.839 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)cc1 1309819104 QIXFKVKXUWSKOX-UHFFFAOYSA-N 434.533 4.770 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H](Cc2cc(C)cc(C)c2)c2cccc(OC)c2)CC1 1311892745 YHAMDLNCKMNSSW-SANMLTNESA-N 435.612 4.936 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)c1ccccc1 1312939455 HBJNEBNBKKJUPU-QFIPXVFZSA-N 442.494 4.912 30 10 IJEE CCN(CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H](C)C#N)C1CC1 1313804331 GGFVRPLJELLCHG-OAHLLOKOSA-N 443.020 4.893 30 10 IJEE C=CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1)c1nc(-c2ccccc2)cs1 1350510400 RWWGSNMYZQIDLX-JOCHJYFZSA-N 430.533 4.553 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1351396065 VIPNLUXORRJPKY-QHCPKHFHSA-N 426.582 4.940 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCCSC(C)(C)C)c(C(=O)OCC)c1C 1352793494 QVGSNXRAPOITBF-UHFFFAOYSA-N 427.588 4.826 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cc(C(C)(C)C)no1 1358875306 NEHBPRGMVMRWQG-KRWDZBQOSA-N 428.540 4.593 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1358909930 XBIOCRMLKOLQDS-VWNXMTODSA-N 429.568 4.748 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1358934163 RYXVGOJHOUGXLV-BJKOFHAPSA-N 449.643 4.670 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@](C)(O)c1ccccc1 1359003161 AOQYKQFNWIORGU-BCHFMIIMSA-N 448.636 4.889 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N(C)C1CC1 1359064577 WAEKFACKOZBJBC-NXMSCROESA-N 442.007 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCCCC)c(OC)c1 1359068778 ONPBJNZRASKBDX-RUZDIDTESA-N 433.556 4.501 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC(F)F 1359077885 NNPKNYCMDNKZSJ-UHFFFAOYSA-N 436.304 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1359094271 YXOGPZZCHWDJSS-GMAHTHKFSA-N 431.584 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCCCC1=O 1359107080 BTRCGMUTJKIORG-UHFFFAOYSA-N 435.616 4.553 30 10 IJEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(F)(F)F)CC1)c1ccccc1 1359138878 GFYGIYULMAJAHB-UHFFFAOYSA-N 430.478 4.561 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1359154838 DYSAKPQKONGQRF-UHFFFAOYSA-N 440.979 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1359191381 XFUGVRYTEMBOBF-FGZHOGPDSA-N 436.579 4.684 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359228811 OWCZPUFGSHCMIT-APWZRJJASA-N 441.428 4.543 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1sc(C)nc1C 1359254087 DUOOWMKDAORJPK-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCCc1nc(C)no1 1359262432 SPKRNJSWFAHITD-UHFFFAOYSA-N 434.569 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1359268276 KMJUMICCHIDAKP-OALUTQOASA-N 444.023 4.665 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC1(O)CCCCCC1 1359275594 YJIDREJPNLLIRP-UHFFFAOYSA-N 431.584 4.661 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1360369428 KHLROALJNZWDPF-PGRDOPGGSA-N 442.918 4.818 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c1 1435015277 BOUINIQFDJQBSX-UHFFFAOYSA-N 426.398 4.616 30 10 IJEE C#CCOc1cccc(NC(=O)C[C@@H](C)CCc2ccc(I)cc2)c1 1435135485 DDWNCWAYASYJPG-INIZCTEOSA-N 447.316 4.901 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC[C@H](C)CC)ccc1Cl 1437491790 ILBFGFPHXKEMSM-QGZVFWFLSA-N 434.989 4.887 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 1445047140 GRBCXDRZDYBNCY-GCJKJVERSA-N 436.552 4.846 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)COc3ccc(-c4ccccc4)cc3Cl)CCO2)c1 1447210216 CCAIGTVLGRVCQT-XMMPIXPASA-N 432.907 4.858 30 10 IJEE C=CC1(CC(=O)N[C@@H](CC(F)(F)F)c2ccc(C)cc2)CN(C(=O)OC(C)(C)C)C1 1447347064 NXNOLTJPOMIXQF-KRWDZBQOSA-N 426.479 4.918 30 10 IJEE C=CCn1c(S[C@H](CCc2ccccc2)C(=O)OCC)nnc1-c1ccccc1F 1458828571 SNFKBSOIUWLYLX-HXUWFJFHSA-N 425.529 4.927 30 10 IJEE C=CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)Cc1ccc(OC)cc1 1459341538 GZYGYTWPCNDFOS-VWLOTQADSA-N 443.547 4.963 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(Sc2ccccn2)c1 1464723833 XJCJAMGVULVFAW-KRWDZBQOSA-N 428.558 4.816 30 10 IJEE CSc1cccc([C@H](NS(=O)(=O)c2ccccc2C#N)c2ccc(F)c(F)c2)c1 1475037615 FHEFGWOYCNMOFG-NRFANRHFSA-N 430.501 4.626 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 1476466263 HZFBHQHMKHOAPM-UHFFFAOYSA-N 428.895 4.953 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1ccc(Br)cc1 1478491455 CRVZAJCHNDJXKC-PWRODBHTSA-N 441.369 4.807 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)CC)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1507514315 COOASPUMRQGSMT-ZWKOTPCHSA-N 425.577 4.839 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)cc1 1507555375 OPNHFECHBAPLEB-UHFFFAOYSA-N 430.325 4.615 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC=C(Br)C1 1507595768 XBDMKQJRZBXUQK-UHFFFAOYSA-N 431.403 4.781 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1507595949 ZTOKPEXNAGLMOT-DENIHFKCSA-N 447.410 4.853 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507600558 ZXRMNOVGNWZITM-DEOSSOPVSA-N 442.629 4.634 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)C2(CCC2)C1 1507790290 DPKUUNDLWHEBDN-OAHLLOKOSA-N 449.368 4.921 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1507797523 LVCPOSAPLVXSTH-RFWXGWTQSA-N 428.577 4.539 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc2ccccc2[nH]1 1507822574 FJQYJGWQLZOGPS-UHFFFAOYSA-N 425.334 4.730 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507955133 CFCLHJYMIYZFFL-QFIPXVFZSA-N 427.662 4.989 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(=C)Cl)C1 1508113085 DVZQRTHFGGIZES-GOSISDBHSA-N 441.988 4.911 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1508151061 KJBKLBXALMFDHE-UHFFFAOYSA-N 426.542 4.521 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)OCCc2sccc21 1512805831 GEBQFVXCQCJWQM-BXKMTCNYSA-N 435.597 4.849 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@@H](CC)C3)nn1 1523119572 DFKIJBNQHXFBAP-CQSZACIVSA-N 430.574 4.638 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1OC 1525219718 OGLOGBNSELQPFC-XFFZJAGNSA-N 435.520 4.630 30 10 IJEE O=C(Cc1ccc2c(c1)OC(F)(F)O2)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 1525282761 HEDWLWWFULDDCB-UHFFFAOYSA-N 425.256 4.810 30 10 IJEE C#C[C@@H](NC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)c1ccc(Br)cc1 1528087913 JAPMCOICRYHMPB-QGZVFWFLSA-N 438.243 4.870 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 1529918834 QMQYBKISEZZZHJ-OAQYLSRUSA-N 428.919 4.908 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1532324752 KRPLRLNUAKRRMM-XUZZJYLKSA-N 440.609 4.832 30 10 IJEE CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1537067235 COEWVIJKCFGPRZ-BCHFMIIMSA-N 427.548 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccc(CC)s1 1538991507 AHJUDSXNRMRLMA-QGZVFWFLSA-N 438.597 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1539002063 PDDIBULWEJGHAU-YCRNBWNJSA-N 433.600 4.736 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539055801 IMWSRCTTXQJDQC-IBGZPJMESA-N 443.979 4.505 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCCOC2)C1 1539060155 OJWBXNZXVOADMP-JOCHJYFZSA-N 443.389 4.518 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[C@H](C)C1 1539359687 OGOLSQQVNIVJKG-JKSUJKDBSA-N 431.378 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)c1ccsc1 1539651822 LAWFPFNSXAEDFJ-QFIPXVFZSA-N 448.539 4.918 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2c(C)noc2C)CC1 1539836064 MOXVHDMZNCJENS-UHFFFAOYSA-N 446.324 4.656 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1539836274 ONWZNWXJVYAANG-MSOLQXFVSA-N 430.980 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](OCc2ccccc2)C1 1539924686 XEZKWBOSNPRKHW-QHCPKHFHSA-N 431.584 4.662 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1540019583 KEHPESRSVMFRSI-INIZCTEOSA-N 433.394 4.880 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC(c2ccccc2)C1 1540051255 AOLWXOGHNLYHIR-UHFFFAOYSA-N 426.362 4.852 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1ccccc1 1540070781 FIPLWSUAIIYVLS-NRFANRHFSA-N 439.604 4.648 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OCC 1540086837 DMRWEDBJCJVWEA-UHFFFAOYSA-N 435.572 4.619 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(OC)c(F)c1)C1CC1 1540116374 RPDGMIBKTPVRRE-DENIHFKCSA-N 442.579 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccn(CC)c1=O 1540158551 LMVYAAMORBMVTP-UHFFFAOYSA-N 444.366 4.660 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC2CCCC2)CC1 1540911068 RRZPJFCKUVVXDP-UHFFFAOYSA-N 437.613 4.664 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CCCO)Cc2cccc(Cl)c2)s1 1545882552 HANKMYYDCRBZJB-UHFFFAOYSA-N 445.437 4.903 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)/C=C\c1ccc(O)c(OCC)c1 1546226093 DZXJQWVGCRQQJA-POHAHGRESA-N 434.305 4.921 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2sc3c(c2c1=O)CCC3 1559328862 PYMLEYFQPDSNID-UHFFFAOYSA-N 445.997 4.825 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)c1ccc(F)c(F)c1 1561486872 GHQYFOVWQZOBSH-HNNXBMFYSA-N 436.705 4.976 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1C#N 1562831404 HMKISZOHKZUODX-UHFFFAOYSA-N 426.423 4.990 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 1563901016 ZYZKIYMRXOCYEU-UIFIKXQLSA-N 439.522 4.513 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ncsc2Nc2ccccc2)CC1 1568492099 BJEVDZJGERNPTJ-IBGZPJMESA-N 437.956 4.563 30 10 IJEE C=CC[C@@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)c1ccccc1 1584435286 GXYYVAGJQJHUDS-INMHGKMJSA-N 427.180 4.701 30 10 IJEE C#CCOc1ccccc1CNC(=O)C[C@@]1(CC)OCCc2c1[nH]c1c(CC)cccc21 1586246811 FJVBLQKFUKRULC-HHHXNRCGSA-N 430.548 4.627 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H]2C(C)C)c1 1587533474 FHKDMAPGYJWWPZ-AVRDEDQJSA-N 447.000 4.743 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)CN1CCCC1 1587585969 IKPCIAPRWBLXTP-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccncc1Cl 1587678141 PGWKTWFLRMRNHV-AWEZNQCLSA-N 432.380 4.778 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1587719197 VMSLQVIYNLZHBJ-JOCHJYFZSA-N 434.540 4.838 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC1(COC)CCCCC1 1588180486 GVHLUXLVCQHEJX-XMMPIXPASA-N 432.612 4.880 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1Cc1ccc(CC)s1 1588550315 NEIJMXCLNKDSAK-UHFFFAOYSA-N 445.567 4.715 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]1c1csc(C)n1 1589317162 LHSFMANDKOSTNG-OAHLLOKOSA-N 434.363 4.862 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N(C)CC(C)(C)C 1589449414 DHLMLKHUBDBTEM-UHFFFAOYSA-N 437.382 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCSC 1589527956 BWHFSSLZRKTNQD-UTKZUKDTSA-N 425.602 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1589614728 DTMCWESMANZXDZ-QHCPKHFHSA-N 449.599 4.631 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1594078025 YVDCLPXJVDGLHZ-UHFFFAOYSA-N 443.473 4.794 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CCCCC2)CC1 1594436633 ASVYFIFNINUSQK-HXUWFJFHSA-N 441.595 4.521 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 1594766892 IAOIQAUXJZWUCC-UHFFFAOYSA-N 444.942 4.654 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](c1cccnc1)C(C)C 1594839387 JQWAXRGDJKNFHL-QFIPXVFZSA-N 432.572 4.604 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1ccncc1Cl 1595134347 YUBVVCVJDHWANV-OAQYLSRUSA-N 441.938 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1595190286 AEPDMLOYLQTFBS-OYRHEFFESA-N 437.632 4.889 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(OC2CCCCC2)c1 1595212900 UMMAFCDBXVSNTG-NRFANRHFSA-N 437.588 4.505 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1596613628 YKYJICUOLWJTOV-HSZRJFAPSA-N 426.582 4.689 30 10 IJEE COC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)c(Cl)cc1NC(C)=O 1597604803 FAVUCMBJMZBVTM-UHFFFAOYSA-N 447.878 4.876 30 10 IJEE COc1ccn2c(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cnc2c1 1611069405 FZVZKUCTAMVWDQ-UHFFFAOYSA-N 435.299 4.885 30 10 IJEE C#CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)[C@H]1CCCc2ccccc21 1611223101 MSGIXRGOSNVCSN-IBGZPJMESA-N 436.360 4.550 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 1626744608 GMRMJYHXGSVQKE-URXFXBBRSA-N 439.625 4.507 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 1629090575 HCVKKHUVLWCMHC-UHFFFAOYSA-N 427.838 4.557 30 10 IJEE C#CCN(C(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)C1CCCCC1 1635306429 OCIAJFYXXPOAJJ-UHFFFAOYSA-N 425.573 4.852 30 10 IJEE COc1cccc(-c2cc(CNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)on2)c1 1635894114 CVWHTFWHLHHJMD-UHFFFAOYSA-N 439.471 4.731 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O 1640621054 VYMAFDSPPBBHBW-UHFFFAOYSA-N 437.462 4.836 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F 1643051563 FXYPCYUGXVBOQG-SJLPKXTDSA-N 428.907 4.534 30 10 IJEE COc1ccc2c(c1)C[C@@H](C)N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]2C 1645246443 DDGQYXIAZDSRLT-YLJYHZDGSA-N 442.563 4.921 30 10 IJEE O=C(c1ccc2c(c1)nc(O)n2CC(F)(F)F)N(O)Cc1cc(Cl)cc(Cl)c1 1651215274 XKNWPIAVGZIBNP-UHFFFAOYSA-N 434.201 4.643 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC=C(c2ccc(C#N)cc2)CC1 1654014934 BBOUZWDWAFGTPF-QGZVFWFLSA-N 430.577 4.877 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCN(Cc3ccccc3)C2)cc1OC 1655264450 FANYFOVUUZUWSW-FQEVSTJZSA-N 445.401 4.777 30 10 IJEE CCOC(=O)c1ccc(C#N)c(SC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)n1 1656208648 DJHDSRRXJLEWEG-WKILWMFISA-N 433.574 4.553 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1cccnc1Cl 1657161977 UEHQLLZZCNPKOX-LBPRGKRZSA-N 426.717 4.652 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccnc(Oc4ccccc4)c3)CC2)c1 1659487703 FBTZBBUCWVCONQ-UHFFFAOYSA-N 427.508 4.532 30 10 IJEE C#CCC1(NC(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)CCOCC1 1670958472 SEEBUGMXCDXUSR-OAQYLSRUSA-N 446.469 4.675 30 10 IJEE CC(C)(C)c1cc(NC(=O)NCC2([C@H](O)c3ccccc3)CC2)n(-c2ccc(C#N)cc2)n1 1671797625 HZBJUFWYTJWUKV-HSZRJFAPSA-N 443.551 4.677 30 10 IJEE C#CCN(C(=O)Nc1ccc2oc(C3CC3)nc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1672974315 WKQUBFIYWKAISE-UHFFFAOYSA-N 438.528 4.572 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)n1 1679955086 GJDMKJIBFAKUKX-QGZVFWFLSA-N 446.395 4.760 30 10 IJEE CCOc1cc(CN(C)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)ccc1OC(F)F 1682100483 CHCYNALZHYDYOD-IBGZPJMESA-N 429.467 4.777 30 10 IJEE C=CCC[C@H](NC(=O)NCCNC(=O)c1ccccc1F)c1ccc(C(F)(F)F)cc1 1685478668 HDOTWHSCVMMNPY-IBGZPJMESA-N 437.437 4.581 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1cccs1)N1CCCC1 1689957160 UDJCGUFQTWHJAX-IBGZPJMESA-N 425.989 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](SC)C(C)(C)C 1690043516 DLPOAZMGJBDVSN-QFIPXVFZSA-N 447.608 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC[C@@](C)(CC)O1 1690259656 RKKUYKMVXIOXAL-NTKDMRAZSA-N 428.577 4.712 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCCCCC2)CC1 1690363990 GSZLALDJQNHQNJ-LJQANCHMSA-N 428.552 4.799 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCSc2nccs2)CC1 1690367400 NBQCFEZGTTYINY-UHFFFAOYSA-N 442.570 4.649 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCO[C@@H](C)c2ccccc2)CC1 1690413141 IIPYXMBVTMKRGW-NRFANRHFSA-N 431.584 4.834 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1690475048 CUNIAZOEGGYQAY-UHFFFAOYSA-N 441.645 4.546 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1Cc1ccccc1 1690502606 AMEBQTFYGALSLR-OAQYLSRUSA-N 437.975 4.798 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN(CC(C)C)C1 1690517727 MJRIFEDOSAXTMV-SFHVURJKSA-N 433.547 4.537 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCC[C@@](C)(OC)CC2)nnc1C(C)(C)C)C(C)C 1690583456 LMIGWOXPKUCOPF-SQJMNOBHSA-N 431.669 4.670 30 10 IJEE CC(C)c1csc(Cn2c(CCCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)n1 1691621724 BMFRYERWBKZKCH-QHCPKHFHSA-N 438.576 4.524 30 10 IJEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1696756204 DICNYGAEXVZBCU-SXLOBPIMSA-N 447.505 4.973 30 10 IJEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 1698490525 DDPTUQZAXMBESP-CRAIPNDOSA-N 435.906 4.543 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705510846 ZTRCGTBBRAIAQS-FPOVZHCZSA-N 447.549 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCCc1nc(C)cs1 1705671281 DBYQGDALTRJFQD-XMMPIXPASA-N 430.581 4.597 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1705685528 BVVBZJUQSWPXHZ-FQEVSTJZSA-N 444.421 4.950 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCc1cccs1 1705702277 GLRGAKZWJDHJRR-LAUBAEHRSA-N 426.561 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CCC1 1705704553 WIJDKPKDQSWECW-YLJYHZDGSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1cc(COC(C)(C)C)on1 1705712269 NYDLIZKUUBYWPJ-UHFFFAOYSA-N 439.560 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1CCN1CCCC(C)(C)C1 1705719482 AFBLFKHGFWSBDZ-UHFFFAOYSA-N 425.621 4.690 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)S[C@H](C)C1 1705749764 HLMBXLARURSSFV-PHIMTYICSA-N 433.828 4.852 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCCCCC2)CC1 1705783165 VNZGPIAREMJKLI-UHFFFAOYSA-N 428.024 4.801 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705808686 UZTSMKVHFPFDTQ-QFIPXVFZSA-N 437.632 4.551 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705809646 YCMYOQBPUDICGE-HXUWFJFHSA-N 428.552 4.605 30 10 IJEE C=CCCCn1c(N2CCC(C(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705823235 GCIDDOJQQVANIL-BGYRXZFFSA-N 431.625 4.887 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1cn2ccccc2n1 1705834880 UZURNUFNAQBPCH-QGZVFWFLSA-N 436.947 4.584 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)[C@@H](C)CC 1705835222 DNSOIGJTYQRFPZ-QMHKHESXSA-N 425.602 4.796 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1C 1705843140 YPVFSHHDYLNTML-NRFANRHFSA-N 439.604 4.680 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCCC1(C)C 1705846321 AMAPHMFSRSIXFP-RUZDIDTESA-N 426.605 4.852 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@H]1CSCCS1 1705857661 ZFARZWJEMCPJPN-FQEVSTJZSA-N 432.659 4.526 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCSC(C)C 1705860625 UPOXIDUEPZYNBI-NRFANRHFSA-N 425.602 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C1CCCCC1)N(C)C 1705866467 RJSJRANAEIJWRF-IRLDBZIGSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCS1 1705871350 GWAGDGDCLONVBI-HNNXBMFYSA-N 437.382 4.921 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN1CC 1705877312 BWAQVUJDRLOZHL-HSZRJFAPSA-N 433.600 4.956 30 10 IJEE C[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1708044736 GMIJKGJVTJJGNU-AZUAARDMSA-N 437.588 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1722507368 ICAGFYMTEHMGRI-VZVVXEKASA-N 446.542 4.977 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C 1722511346 YGJMNSJAGAEICT-KNQAVFIVSA-N 447.023 4.755 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCC[C@@H](C)C2)CC1 1722567181 NUFVPEQPUWUFAF-JOCHJYFZSA-N 437.632 4.546 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2CCC[C@@H]21 1722623854 NAHUTNMLUVOZCT-CABCVRRESA-N 437.407 4.741 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCN(C)[C@H](C)CC)C1CC1 1722648437 RVCOLQXMQWZFST-MRXNPFEDSA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1C[C@@H](C)O[C@H](C)C1 1722655866 SWCNUTHJMIESBP-WOJBJXKFSA-N 444.583 4.551 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCc1ncc(CC)s1 1722658444 WVBSWAPPEUJAKH-UHFFFAOYSA-N 430.581 4.794 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCO[C@H]2C(=C)C)C1 1722710785 OJUBUCAJEUMVCB-KEZOAJOQSA-N 436.600 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2OCC(C)C)C1 1722717698 LYFNHSUMGKPJCC-OAQYLSRUSA-N 436.556 4.711 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1722923774 ATUJLVCHLWDJHR-XZOQPEGZSA-N 446.599 4.788 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCc1nc(C(C)(C)C)cs1 1740727456 MBCBXBNAINNFOX-RUZDIDTESA-N 449.624 4.943 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(C)C)C1 1740745872 IRSKKGQSGVWWEX-OAHLLOKOSA-N 439.348 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](CC)C1 1740764148 UVKXJEOKZRHEMG-HOKHCIIBSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccnc(OCc2ccccc2)c1 1740770986 OFRBPWHIWYLWKB-UHFFFAOYSA-N 442.567 4.708 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[C@H](C)C2)CC1 1740835530 GJTMOBCHMRKYGE-RDJZCZTQSA-N 432.410 4.885 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1740880038 BQKDLKDQKPIVTK-UYAOXDASSA-N 427.549 4.708 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC1(CC)CCOCC1 1740924050 DJEYZRBHLXKWHH-UHFFFAOYSA-N 437.613 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CCOc1ccc(Cl)cn1 1740927172 ACAYRLMSGMFIPZ-UHFFFAOYSA-N 435.915 4.997 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1OCC(F)(F)F 1740934407 ZQHHHQHAQSIFOI-GOSISDBHSA-N 436.478 4.606 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CC1=CCCOC1 1740936260 NDFQFOPKVDTSIL-UHFFFAOYSA-N 442.922 4.912 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)SC)C1 1740975794 QJDGIEAPJSXFHG-HIFRSBDPSA-N 427.401 4.785 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C(CC)CC)N(C)C 1748652301 ZEFQJKIKOJGHQF-OXQOHEQNSA-N 446.437 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC(C)CC1 1748656102 LSTZAEYSFPGXHL-IBGZPJMESA-N 444.023 4.577 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1748758073 RIRBKJASDSLLGK-NRFANRHFSA-N 433.625 4.880 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1748773681 BLNFWIWBWHIALX-NHCUHLMSSA-N 444.627 4.629 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(CCOC)CC1 1748834700 UBDLHLXGLZQGBC-UHFFFAOYSA-N 448.567 4.702 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1CCC(OC)CC1 1748917205 PXFFQOCVVJQCJT-UHFFFAOYSA-N 449.368 4.511 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1748930583 RIHPOBUPHHFGSU-NHCUHLMSSA-N 442.051 4.740 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(CC)s1 1749056335 FBOYSSPJKQKBQF-HXUWFJFHSA-N 444.402 4.700 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1749386400 DUDNVNXTYITESB-FPOVZHCZSA-N 425.577 4.507 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749397338 VXILIKNHKIRILK-IBGZPJMESA-N 434.588 4.525 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749400459 BSZUSHFSUUOLHK-FQEVSTJZSA-N 441.576 4.707 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C#N)o2)C1 1749700687 MQYIFJKEPQUSHV-NRFANRHFSA-N 431.540 4.537 30 10 IJEE CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](C(F)(F)F)C2)CC1 1750701344 GYLGMNNQMNDZHG-QFBILLFUSA-N 447.505 4.799 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1752113817 BLCGNEHHVKIJJA-WIYYLYMNSA-N 439.629 4.744 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760139544 GTSQIUOHAJIPCT-NRFANRHFSA-N 442.535 4.590 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cc(F)cc(F)c1 1760173944 ZMMSCYHBKIWSNC-OAHLLOKOSA-N 426.536 4.722 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@@H](C)C1 1760197715 HLPRTOLHIQHGFJ-HZPDHXFCSA-N 445.792 4.870 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760277395 JEJKGOURIWBRER-BGYRXZFFSA-N 426.630 4.829 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760321370 FWERPNQUWVEZQC-KDOFPFPSSA-N 443.539 4.570 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCOC[C@H](C2CCC2)C1 1760350579 MPVAGTXVXULAAC-DNQXCXABSA-N 438.616 4.666 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCOC1 1760419152 JDDQVRGOFNJNKO-NRFANRHFSA-N 439.387 4.586 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1760445213 CXKGXTXATPLHJX-OAQYLSRUSA-N 428.552 4.785 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)Cc1cccs1 1760495044 DBQLNLDOKLSVJL-PGRDOPGGSA-N 436.581 4.909 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)C1 1762821936 BBXCRQLYXJOUJI-OFNKIYASSA-N 434.632 4.954 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C#N)CC1)c1ccsc1 1764921218 BXCWDOZFHCCMDM-FQEVSTJZSA-N 438.601 4.731 30 10 IJEE CCO[C@H](CCn1c(-c2ccccc2C)nnc1N1CC[C@@](F)(C#N)C1)C1CCCC1 1765780702 CRPCIWBFFHPLQU-ZJSXRUAMSA-N 425.552 4.681 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3)cc2)cc1 1772733660 HVVZKVNIPWJANY-IYYUQOEFSA-N 431.517 4.635 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](CC)C(=O)OCC)c1 1858737004 LCDWAYAPZYRPHD-IBGZPJMESA-N 425.529 4.892 30 10 IJEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)Nc2cc(Cl)ccc2Cl)CC1 1860592000 LZNMIWWUHNXWOK-HXUWFJFHSA-N 435.351 4.681 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1c[nH]c2ccccc12 1861382877 LQIZNVMTMYOCOW-VWLOTQADSA-N 449.595 4.620 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862539547 YJFAXMLZSNLDNN-BUXKBTBVSA-N 434.319 4.515 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862594289 RTMLZELDCBXNFI-NYHFZMIOSA-N 444.443 4.640 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 1862605679 ZXGLQJSTKMTDRR-HFXUHXBXSA-N 433.504 4.615 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 1862688777 AORQYSMBSYTJLX-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1Br 1862708542 XYSCWXBVPFCJBH-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE CCCCc1ccc2[nH]cc(C(=O)Nc3c(C#N)c(-c4ccccc4F)nn3C)c(=O)c2c1 1866434199 QAZPAODJKARKLY-UHFFFAOYSA-N 443.482 4.534 30 10 IJEE CC(C)[C@@H](C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(F)cc1 1866967485 JZWKTSIPXFQATG-RPWUZVMVSA-N 429.495 4.933 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1OC 1868119487 SAIJWAQFNDDNMI-MHZLTWQESA-N 429.516 4.813 30 10 IJEE N#Cc1nnn(-c2ccc(OC(F)(F)F)cc2)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870137153 CUSWJKBJFRICDM-UHFFFAOYSA-N 442.184 4.597 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)Cc1ccc(Cl)cc1 1870147482 RWYPHOIDUAMRCU-UHFFFAOYSA-N 443.894 4.553 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)c1 1871344782 VLIYHMNCJNFHCD-MYYYXRDXSA-N 443.499 4.715 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1 1871363499 VQBXWEMELTYKSN-SXGWCWSVSA-N 427.667 4.977 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872088574 WJSFQRDQGZZJDC-QMHKHESXSA-N 446.588 4.981 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(N3CCCCC3)cc2)[nH]1 1873469907 NIUKXRGQSPZXHV-UHFFFAOYSA-N 425.540 4.569 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc3nc[nH]c3c1)n2CCCC 1873657039 UIORHXLXCDBRPF-UHFFFAOYSA-N 429.528 4.538 30 10 IJEE Cc1cccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCCO)c1 1874233770 AGTVILTVYNGHNH-NLRVBDNBSA-N 430.577 4.882 30 10 IJEE CCCOc1c(/C=N/n2c(COc3ccccc3Cl)nnc2SC)cccc1OC 1874265878 UBCKOCLCORSQEE-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccccc1C 1874364078 LJBKFSROLHPYOS-PCLIKHOPSA-N 436.581 4.608 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874416366 MGVSXDXWGJUECV-MFKUBSTISA-N 430.533 4.763 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C(C)C)cc1 1874420739 BMRVMUXPMHDGQQ-OEAKJJBVSA-N 441.626 4.973 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(Cl)c2)cc1 1874512069 KOPXDWPAZRTHCR-FSJBWODESA-N 427.961 4.976 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 1874569348 SLKZRDXVGMDUHZ-HZHRSRAPSA-N 433.493 4.522 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NC3CCCCC3)c2)cc1 1874595233 ASRFGFWRMCKIPH-OQLLNIDSSA-N 437.536 4.818 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 1874638908 YICUZJUZXGGKMD-DHZHZOJOSA-N 449.459 4.985 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 1891403576 SUAIRGNIQPOXKJ-HSZRJFAPSA-N 429.545 4.857 30 10 IJEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1903272067 KTNMGOUQLLSKQF-KSMMKXTCSA-N 435.487 4.714 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1CCC 1922074898 RILFZHLDXSQJRD-UMFSSWHCSA-N 446.632 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)NCCC 1922106397 CLWKYEAQVPAZTC-MOPGFXCFSA-N 430.511 4.973 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C 1922117658 BUZHBFZKCVWRMC-BVAGGSTKSA-N 446.632 4.934 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)[C@H](CN)CCC12CCC2 1924926519 OKEWNLSTIYWUOY-BTYIYWSLSA-N 434.378 4.992 30 10 IJEE C[C@@H](C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1957733007 GRFCSJURYITZKY-VOIUYBSRSA-N 426.472 4.859 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2018646647 YDQJJEAKCOPNGZ-XMMPIXPASA-N 431.577 4.853 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)C1(C#N)[C@H](C)CN(Cc2ccccc2)C[C@H]1C 2037929192 FZDKCVLZUPLNDZ-FGZHOGPDSA-N 442.648 4.616 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNCc1cccc2c1N(C(=O)OC(C)(C)C)CCC2 2076344389 JKKHXOQGUFFGQZ-UHFFFAOYSA-N 445.604 4.935 30 10 IJEE Cc1ccc([C@H](n2nc(C)c(C=NO)c2I)C2(C)CC2)c(F)c1F 2079857187 YINFPWDSDQDAAZ-HNNXBMFYSA-N 445.251 4.580 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079893806 VBUUOPVJQZSPQU-CYBMUJFWSA-N 449.214 4.632 30 10 IJEE CCCOc1ccc([C@H](CC)n2nc(CC)c(C=NO)c2I)cc1 2080127408 UNCHIDSDVOQYAP-KRWDZBQOSA-N 441.313 4.646 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNc2cc(Br)cc(F)c2C#N)C1 2115601194 DRZVGDDHKFAUFG-CKSWESSHSA-N 430.293 4.515 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 2145540503 DRKFFKATHDPWSV-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 2145543793 JURVNYPTCBKJMP-IAGOWNOFSA-N 445.348 4.555 30 10 IJEE COC[C@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CCCCO1 2146065827 GLMCWXDRCAQXBO-XLIONFOSSA-N 439.350 4.668 30 10 IJEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1c1cc(Br)cc(F)c1C#N 2174809039 VKAIAAKJAJPQLX-SRCQZFHVSA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CN(c2cc(Br)cc(C#N)c2)C2CC2)CC1 2174810659 OZICPCBMWMVRIG-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)C[C@H](CC(=O)Nc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C 2181043736 CRLJULQKOXEQSG-AWEZNQCLSA-N 438.366 4.979 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C 2203611787 FXGSWTFSAPHPTI-RBUKOAKNSA-N 436.394 4.931 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 2208933160 JDAVDEZWXIGGTJ-XMMPIXPASA-N 427.545 4.717 30 10 IJEE NCCCCCC#Cc1sc(Br)c(Br)c1Br 2212189112 HYPGSOAJJNUIHF-UHFFFAOYSA-N 430.003 4.906 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@@H](O)C#Cc2ccccc2Br)CC1 2235739958 LHZYKSKYMSTJJW-TVPLGVNVSA-N 436.390 4.883 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1 2258346632 SPPVHDNYEDKPOM-CZKAHXPPSA-N 443.544 4.586 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC[C@@H]3[C@H]3CCN(Cc4ccccc4)C3)CCC2)OC1(C)C 2267458526 XXHUORPZTPGWIM-FCHUYYIVSA-N 438.421 4.516 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267572838 ASVQQHCAXQAUPU-BRWVUGGUSA-N 442.365 4.646 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)s1 2278725383 MIGGCAJUGJTEAT-QGZVFWFLSA-N 435.387 4.848 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3cccc(OCc4ccccc4)c3)ccc2F)OC1(C)C 2281792130 HYQGIZWKQNVOBC-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC1CC1)c1c(Br)cccc1C#N 2285220651 LZODMTIRUXJHSF-KRWDZBQOSA-N 434.378 4.937 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2296219893 SLXPDIHDVFJZIM-ILZDJORESA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2296270811 BGAIMKOCUUBSFS-OXQOHEQNSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296280200 XVXYMBLKFGXJOE-CEXWTWQISA-N 435.406 4.718 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 2296552745 KFBDUFQJFUDAOZ-NRFANRHFSA-N 436.439 4.537 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 2314477470 HNTDVKVWOMIUIB-RUZDIDTESA-N 425.484 4.613 30 10 IJEE COc1cc(C=C2SC(=Nc3ccccn3)N(c3ccccc3)C2=O)cc(OC)c1OC 2314541555 NUFROFIUYZBMEL-UHFFFAOYSA-N 447.516 4.916 30 10 IJEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)c1 2322119064 QJOAYLXUOCBTKE-UHFFFAOYSA-N 432.564 4.948 30 10 IJEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc1c2CN(C2CCC3(CC2)OCCO3)CO1 2322214649 GNINBHILLHIBQC-UHFFFAOYSA-N 445.515 4.697 30 10 IJEE CCOc1cccc(C=Nn2c(S)nnc2COc2ccc(OC)cc2C(C)(C)C)c1 2322284140 OXADSACMXDEXRN-UHFFFAOYSA-N 440.569 4.733 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323118198 GQQFFHBELGPJAW-UHFFFAOYSA-N 428.440 4.852 30 10 IJEE CCOC(=O)CCN(C)Cc1c(O)ccc2c1OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2323985667 UOCNXLKLTCGXRI-UHFFFAOYSA-N 437.536 4.691 30 10 IJEE O=C(C=Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 2325592912 NEBBUVACZNMJTP-UHFFFAOYSA-N 444.068 4.885 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1Br 2326237911 IDLNOBXFNHWSIC-UHFFFAOYSA-N 435.322 4.671 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1Br 2326262199 JXMFCCUGBYCTAH-UHFFFAOYSA-N 435.322 4.671 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2328813956 DPBPPSXREPPRDK-UHFFFAOYSA-N 439.302 4.677 30 10 IJEE CCN(CC)C(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(C)c1 2329381428 SWBHTLUCTFPXIP-UHFFFAOYSA-N 449.624 4.637 30 10 IJEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)cc1O 2329487354 OVSCSICHVHLPMB-UHFFFAOYSA-N 444.560 4.957 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2)o1 2330193483 DARUZOPOGJNVBW-UHFFFAOYSA-N 446.532 4.617 30 10 IJEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1[N+](=O)[O-] 2331018470 XUUCPNIXUOHPLM-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2cccc(Cl)c2)o1 2331134714 VWBBUYCTXKUMMU-UHFFFAOYSA-N 444.822 4.504 30 10 IJEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331562103 FYUSRWAMNIVJLR-UHFFFAOYSA-N 429.400 4.979 30 10 IJEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 2331696344 VWVUPJKQYKMMKT-UHFFFAOYSA-N 448.899 4.976 30 10 IJEE COCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2331754662 QMRAHZGEXDLSKJ-UHFFFAOYSA-N 448.899 4.512 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)c(OC)c1OC 2331885287 ABSLZZQMWNEDHN-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCN[C@H](C#CC(C)(C)OC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2338218793 PVSSIZFHFYLIKW-MRXNPFEDSA-N 425.367 4.875 30 10 IJEE Cc1ccc(NC(=S)/N=C(\Nc2nc(C)cc(C)n2)NC2Cc3ccccc3C2)c(C)c1 14159429 QBDJAZQMKTZBLG-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@@H]2c1ccncc1 20414270 YZRAPIRCGQKDHX-AREMUKBSSA-N 444.579 4.711 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 20704377 GXQNYXQETXPZMF-WHSLLNHNSA-N 445.928 4.539 30 10 IJEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 21258684 LMCVFLYQZZOVCV-NQIIRXRSSA-N 434.492 4.634 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2/C=C\c2ccccc2)s1 35568257 RKGFURCYSIVVPP-ODLZTCLXSA-N 430.529 4.879 30 10 IJEE COc1ccc(/C=C2\S/C(=N/N=C\c3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 47137338 AJQOVRMDJHTLOT-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE CC[C@@H](/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@H]1OC(=O)c2ccccc21 48548043 OKDODCRMNCLQOW-IUZJBAKFSA-N 448.544 4.616 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccccc2Br)n[nH]1 59891176 NOYZJXZJNMZNHF-CIAFOILYSA-N 439.383 4.666 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4ccc(C)c(C)c4)sc3C)cc21 96468878 CHMXERWXEJHIRD-UHFFFAOYSA-N 433.533 4.899 30 10 IJEE Cc1ccc(/N=C2\N=C(NN/C=C3/C=CC=CC3=O)S\C2=N/c2ccc(C)cc2)cc1 138001502 HJVWFAZJEHJHOG-HYXIZQNLSA-N 427.533 4.840 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2C)cc1 169926612 BOFJVNDILQDXJV-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 169991445 CKRZQDDQPKRKGN-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1 170050074 SJINSSFRAMAJNL-HSZRJFAPSA-N 443.455 4.597 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)ccc1F 170063590 HUGAUPYAPDSMJL-QFIPXVFZSA-N 430.410 4.928 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2C2CCCCC2)c1 170145379 QUUVCWWMLAAQIH-XMMPIXPASA-N 446.547 4.735 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1OC(C)C 170151400 DBAHTXOLZGLWMK-HJPURHCSSA-N 435.520 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1)c1ccc2c(c1)CCCO2 170155530 JEBIVGOLOIXVEE-NRFANRHFSA-N 435.476 4.995 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1 170230758 ZKXBLEXMUBMPAX-DEOSSOPVSA-N 442.515 4.895 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)cc1OC 170248467 OHLQUPUNKTWUOL-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)cc1 170291092 QSXIAYNDRTWGNE-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccco1 170292221 PNUOOZUVFISXGF-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(O)c1 170321940 IQPQMPDCUFSXNT-HSZRJFAPSA-N 431.488 4.932 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170362840 UTNLLPGTKMNXRN-QFIPXVFZSA-N 428.444 4.723 30 10 IJEE Cc1cc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc(C)c1Cl 170536917 LGJWDAACNJOWEM-UHFFFAOYSA-N 445.910 4.888 30 10 IJEE CCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c(OCC)c1 252625950 QSSALCBNGKPIME-IRZHRRCCSA-N 426.538 4.734 30 10 IJEE Oc1ccc(Br)cc1C=Nc1cc(C(F)(F)F)ccc1N1CCOCC1 252642880 ZQCRTVNCHFGUMP-UHFFFAOYSA-N 429.236 4.761 30 10 IJEE COc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4ccc(Cl)cc4)ccc3C#N)C2=O)cc1 261526659 GAZFOYZPRSGXNO-HXUWFJFHSA-N 449.919 4.706 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1CCC 407030148 TYLOKRIHINWTMA-IRXDYDNUSA-N 443.430 4.956 30 10 IJEE C=CCN(C(=O)c1ccc(N(C)C(C)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 447199615 LJDMZDNDMMCGML-UHFFFAOYSA-N 436.493 4.534 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 503057118 XUXWBPRNDSTSJO-XMMPIXPASA-N 426.520 4.807 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 508874629 RQELARPLPXYAMV-QUCCMNQESA-N 439.585 4.564 30 10 IJEE COc1cccc(CN(C)C(=O)NCC2CCC(C#N)CC2)c1OCc1ccccc1F 512640545 XJBLRXNJUOLYJK-UHFFFAOYSA-N 439.531 4.885 30 10 IJEE CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)nn1C(C)(C)C 513695756 LJQQZYSQCRWELA-CQSZACIVSA-N 437.569 4.841 30 10 IJEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1 526829152 ZUHZLQVUPQXXAB-UCQKPKSFSA-N 425.514 4.930 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 539506076 SXGKBZDMIFHVQG-RBBKRZOGSA-N 441.984 4.939 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 549656216 ASWNSMCFENUHBC-UHFFFAOYSA-N 437.519 4.725 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 549657809 KLGBBEHESPHXSR-MRXNPFEDSA-N 448.398 4.667 30 10 IJEE C=CCCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(Cl)cc1 586158212 CHARPGLLBHPVLL-UHFFFAOYSA-N 437.989 4.947 30 10 IJEE C=CCN(CCOc1cccc2ccccc12)S(=O)(=O)c1cc(C)c(C)cc1OC 586160461 TUYCJPSJTWLART-UHFFFAOYSA-N 425.550 4.721 30 10 IJEE COc1ccc(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c(C(F)(F)F)n1 669987512 QSMVOSLALOIIIN-ZDUSSCGKSA-N 429.267 4.812 30 10 IJEE C=CCC1([C@H](Cc2ccc(Br)cc2F)NC)CN(C(=O)OC(C)(C)C)C1 722929735 NYHISGZXHLHNAR-KRWDZBQOSA-N 427.358 4.532 30 10 IJEE CCCC/C(=N/[C@@H]1C(=N)[C@@H](CC(=O)Nc2ccc(OC)cc2)SC1=O)c1ccccc1 725391599 PQYPKVPSSZYPIC-NXXWVWFBSA-N 437.565 4.734 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(c2cccc(Cl)c2)C(=S)N[C@@H]1c1csnn1 731430803 PLSLKBYZWHWQNO-GOSISDBHSA-N 444.944 4.767 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2c(c1)CCC2 742213808 OVCYOKWFZKYPTP-JOCHJYFZSA-N 431.561 4.549 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccccc1NC(=O)c1ccccc1 744568295 TZTFYSLEFPKESW-SFHVURJKSA-N 448.544 4.761 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1nnc(-c2cc3c(s2)CCCC3)o1 783111549 ODLHJTHZAUSFBW-NRFANRHFSA-N 437.521 4.695 30 10 IJEE C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 790701840 OJTUYEUNJHVXBK-IRLDBZIGSA-N 444.560 4.629 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)CCCN1C(=O)OC(C)(C)C 792530253 NRHRUGMKBASRBC-XMMPIXPASA-N 429.561 4.874 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 805631764 OWVXPODRPDERAX-UHFFFAOYSA-N 437.761 4.668 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H](CC(C)C)c3ccc(Cl)cc3)c2C#N)C1 1131605503 BVCNDBURTJPHPI-SFHVURJKSA-N 429.973 4.946 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c(Cl)c1 1134432824 VUYPNGXIEGUIKY-GOSISDBHSA-N 446.934 4.974 30 10 IJEE C=C[C@@H](C(=O)NCCOc1ccc(Br)cc1C(F)(F)F)c1ccccc1 1137974672 WSLSMANGBGVGGK-OAHLLOKOSA-N 428.248 4.933 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cnn(-c3cc(F)c(OC)cc3F)c2CCC)cc1 1139535627 RRFNPWVUTRJFPY-UHFFFAOYSA-N 439.462 4.766 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)c1 1161180436 HJZMPPSMNBMNOV-UHFFFAOYSA-N 434.540 4.723 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@H]3CCN(c4ccccc4Br)C3)n2)c1 1162536535 IAGPUJARBPIWQC-INIZCTEOSA-N 436.313 4.594 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 1167273693 PMTVCHMPFRAMSU-GOSISDBHSA-N 440.609 4.719 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc([C@@H](O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1171649481 KOVGCKFJNWBHGR-UZLBHIALSA-N 428.451 4.567 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@](CO)(c2ccccc2)C1 1206202531 FPYFBXIYLVWUIN-JOCHJYFZSA-N 445.357 4.572 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccc(F)c2ccccc12 1212040125 GEDWEYZIJBHLGB-LBPRGKRZSA-N 433.302 4.653 30 10 IJEE C#C[C@@H](NC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccc(Br)cc1 1230498747 JOTMWGJBPYHPBP-NHCUHLMSSA-N 439.353 4.687 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2ccccc21 1286306367 SVLKXYSIJKGLBO-CBQOVEMMSA-N 449.599 4.538 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286318856 BWIRQXGSKVEGBT-PBHICJAKSA-N 426.870 4.558 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286341902 JZKOLSLJWQCALG-KOSHJBKYSA-N 428.552 4.612 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)c1cccs1 1286367812 MKBSDJKGWGPRBT-UHFFFAOYSA-N 447.377 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCO1 1286529023 QZYNNJJHLOAXJY-PGRDOPGGSA-N 431.005 4.785 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC(C)C)C(C)C 1286551748 MYDYFVUNZSHCCV-AUSIDOKSSA-N 442.604 4.814 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC2(CCCC2)C1 1286588831 ZWMQHBIZANDPOA-UHFFFAOYSA-N 435.341 4.572 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286602127 YUUSEYOBTDDBDP-OAQYLSRUSA-N 438.616 4.862 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(CC)(CC)SC)CC1 1286656846 QANBYXSKKYQTFN-QHCPKHFHSA-N 436.666 4.643 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cc(C)no2)CC1 1286657285 WDAZORIGORYINM-INIZCTEOSA-N 427.936 4.819 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286699056 NODBNMCCCGUGHH-UHFFFAOYSA-N 427.618 4.671 30 10 IJEE C=CCCCn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1286706042 LYBBZVNZOYJFMZ-UHFFFAOYSA-N 434.506 4.608 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC1CCN(CC)CC1 1286714079 LDFNRQDWJKFWGG-OAQYLSRUSA-N 425.621 4.779 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@H]1CCO[C@@H](C)C1)C1CC1 1286732436 SRIRWLSVBAMCGK-FHWLQOOXSA-N 428.552 4.917 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286767664 XUPSLOUBPPNMEG-ZWKOTPCHSA-N 438.494 4.886 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCc2sccc2C1 1286834810 JRBKMYHMLJAEIN-UHFFFAOYSA-N 430.574 4.540 30 10 IJEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(CC1CC1)C1CCCCC1 1286984635 FZBIIMXUJFKSJX-UHFFFAOYSA-N 448.615 4.528 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](CCN(CC)CC)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1289798215 WHWOJMFYMSJKJW-ATIYNZHBSA-N 443.632 4.922 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@](C)(CC)C1 1300393897 ILFARFAQCQPXLJ-OAQYLSRUSA-N 431.378 4.756 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCO[C@H]1CCCC[C@H]1C 1300602075 NSXHPLNVQUYUGQ-DYXWJJEUSA-N 428.552 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCS1 1300789235 CNLGMOUSZHJKHW-WIYYLYMNSA-N 445.430 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1300905047 JZEIDZJJONIPSW-KRWDZBQOSA-N 431.581 4.752 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Br)s2)n1CCCOC 1301347304 UEEQNPCAHUHGBK-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1301434441 RIEXOBSZTOINHA-KUHUBIRLSA-N 442.361 4.818 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1301617502 FNRUCOMHLGNUDF-KRWDZBQOSA-N 446.571 4.535 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1306285094 AZEATOPHDYBNRE-BGWNEDDSSA-N 434.632 4.810 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)cc1Br 1309562945 DXUSONMBSWKXSW-LJQANCHMSA-N 449.345 4.766 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1CCc1cccnc1 1314729319 FJNHREYIOVNFAJ-UHFFFAOYSA-N 434.956 4.806 30 10 IJEE COc1ccc([C@H](C)CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1315368597 HCNWHAHSMCSSQH-WPWBMXPQSA-N 437.588 4.852 30 10 IJEE C=CC(C)(C)CC(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(C)cc1 1349975792 QGOISKZJCXKXAV-XXBNENTESA-N 429.582 4.891 30 10 IJEE Cc1cccc(CN2CCCC[C@@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 1354753256 AXHVQJJLYSMYKP-HSZRJFAPSA-N 430.577 4.907 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1355734786 FELRSOQXKQBNHL-JOCHJYFZSA-N 428.598 4.983 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3cc(F)ccc3o2)c(C(=O)OCC)c1C 1357816533 GXNBTNCKKSBUMG-UHFFFAOYSA-N 431.441 4.714 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1358905958 QOFHIKPNYHXCEB-FQEVSTJZSA-N 442.007 4.533 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1358920633 DMAYTJAYAXXZQQ-DYESRHJHSA-N 438.963 4.560 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCC[C@H](C)C1 1359015394 RWXIIUMNUGLYAG-PWRODBHTSA-N 425.596 4.691 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1359051590 CKNJRSFMRHOYHR-XLIONFOSSA-N 433.021 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC(CC)(CC)OC 1359067840 DPSLUTAYEVEISD-OAQYLSRUSA-N 445.405 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CCC 1359070430 MHSMDIFNTXSGAM-XZWCOCNFSA-N 441.620 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccoc1 1359090551 COXZIEWMIPCGFY-KPLVRAHFSA-N 440.519 4.768 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCc1cccs1 1359092393 ALQNDPUSHUENRP-SIKLNZKXSA-N 438.597 4.675 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)CCSCC 1359148175 GFLDDFBLBKTRHG-KRWDZBQOSA-N 431.009 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359185089 KYWCGGJBSBKWMD-PMACEKPBSA-N 438.572 4.959 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1359204055 BVFNZBBBEJHFTH-UHFFFAOYSA-N 433.641 4.964 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1359220482 AMGKNNVVUZOKAC-UHFFFAOYSA-N 438.601 4.920 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1CCCCO1)C1CC1 1359247760 OIWGHXKCFYDXSH-KRWDZBQOSA-N 434.382 4.540 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359262925 JXXMJOUWKYFCOP-KDURUIRLSA-N 443.661 4.688 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1359473497 CXHFFMIOLFODQA-LZNRXBQRSA-N 444.023 4.959 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1 1360122337 CUIYDZXUACVYOB-XMMPIXPASA-N 447.564 4.794 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 1360160353 BGJQOBKXUYJSNQ-DEOSSOPVSA-N 445.560 4.930 30 10 IJEE N#Cc1cc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)ccc1OC(F)(F)F 1436042092 FQRPIPKSAXCICL-UHFFFAOYSA-N 429.185 4.593 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1 1436641247 HCVIIXYOAXMUGO-FQEVSTJZSA-N 429.314 4.762 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 1440408616 UIDOJZAWSFKOAF-XMHGGMMESA-N 426.925 4.980 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Nc3nccs3)cc2F)ccc1OC 1443924243 HDXBDPVDVDUEAU-INIZCTEOSA-N 440.500 4.645 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1446507749 WBGWJMCHKUNVBQ-VQTJNVASSA-N 427.342 4.626 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 1449310448 SBRJVHWMTXUZIQ-UHFFFAOYSA-N 439.581 4.778 30 10 IJEE C#CC[C@@]1(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3n2C)CCCN1C(=O)OC(C)(C)C 1457181838 AWZJPKVJBZMLSN-WNSKOXEYSA-N 445.947 4.624 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CC)C2)c1 1457328138 MEQRBAWJQAOEHC-GOSISDBHSA-N 447.000 4.984 30 10 IJEE COc1ccc(Br)c(CN(C)c2nc3c(c(C#N)c2C#N)CCCCCC3)c1 1458312924 AEWITOUJKIMKEW-UHFFFAOYSA-N 439.357 4.891 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc(OC)c1OC 1458322073 HGAVNDGGNNSDKG-VBKZILBWSA-N 448.357 4.701 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(Br)cn2)nnc1-c1cccc(Cl)c1 1458999791 LSVYNDVZAGABER-UHFFFAOYSA-N 449.761 4.917 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@]3(c4ccccc4)C[C@@H](NC(=O)OC(C)(C)C)C3)cc2n1 1462994416 HRXLTYAJAVULAZ-WVPZODRTSA-N 446.551 4.786 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1467488852 YNHICYRGFGIKHD-HNNXBMFYSA-N 427.423 4.645 30 10 IJEE C=CCSc1ccccc1NC(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-] 1472994955 RHTQRSWFQCTKQC-UHFFFAOYSA-N 437.315 4.961 30 10 IJEE CCOCc1ccc(CNC(=O)CN(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 1473246556 BKVKOGYAJYIUBN-UHFFFAOYSA-N 445.538 4.865 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1CC 1476537677 OCBAIKQEPWCSMB-UHFFFAOYSA-N 442.441 4.787 30 10 IJEE C=CCC1(O)CCN(C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 1478772506 ZSKDXMSWLFGRTK-QFIPXVFZSA-N 428.960 4.711 30 10 IJEE C#C[C@H](NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(Cl)cc1F 1478901268 RQCAKLWOTLJUPQ-WMZOPIPTSA-N 449.231 4.556 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)c(OC)c1 1507681819 CNDGDXJBYFGIKC-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(Cc1cccs1)C(C)C 1507752741 DEJMKRNNSOHJBA-UHFFFAOYSA-N 428.602 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccccc1Cl)N(C)C 1507826244 KEQASOYANIAXEE-QFIPXVFZSA-N 439.007 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C2CCCC2)CC1 1507923372 SEFBWWBJLVGSLA-UHFFFAOYSA-N 442.677 4.691 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507941800 LTLCXXXODYMPLK-KRWDZBQOSA-N 444.505 4.532 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2Cl)CC1 1507955909 VUCUOLVAWGBGRU-UHFFFAOYSA-N 428.005 4.877 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1512805771 FSDURKVTDZCPJE-ROUUACIJSA-N 440.592 4.555 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2c(-c3ccccc3)noc2C(=O)OCC)cc1OC 1521434253 FZLJWUIYJQBFBB-WYMLVPIESA-N 448.475 4.744 30 10 IJEE Cc1ccc(-n2nc(C(=O)Nc3ccc(Br)c(C#N)c3)c3c2CCC3)c(C)c1 1527157565 BBPGPLWBLZPIBX-UHFFFAOYSA-N 435.325 4.864 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@]3(C)c3ccc(C(F)(F)F)cc3)cc2C1=O 1535315664 ZPHHKRCMJLFKAH-HSZRJFAPSA-N 442.437 4.639 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)NCc3ccc(OCc4cccc(F)c4)cc3)on2)c1 1536847150 CVNJGQBUOYBQDH-UHFFFAOYSA-N 427.435 4.861 30 10 IJEE C[C@@H](NC(=O)c1cn(-c2ccccc2Cl)nn1)c1ccc(-c2cccc(C#N)c2)cc1 1538235068 BDWPTXQXHOXMSG-MRXNPFEDSA-N 427.895 4.950 30 10 IJEE C#CCN(C(=O)c1cccc(I)c1C)[C@@H]1CCCc2ccccc21 1538599330 FSRIYMAYHXQIEW-HXUWFJFHSA-N 429.301 4.753 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CCc1cccs1 1539089279 KSKZPSQXVFEINA-UHFFFAOYSA-N 435.597 4.691 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1 1539326927 BFHKZULWJDOECI-QFIPXVFZSA-N 434.540 4.779 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(CC)C[C@H](C)CC 1539496638 BQAPELUYCBUUME-MRXNPFEDSA-N 435.435 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(c2ccccn2)CCC1 1539655751 QLODRIRRDDPOHD-UHFFFAOYSA-N 432.528 4.773 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCOC[C@H](C2CCC2)C1 1539694692 IWGNVXXDGBGDOF-QGZVFWFLSA-N 431.378 4.537 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C 1540043031 VBEHNSMAERNQON-UXHICEINSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1540052065 VWWNTOKYYDOLOY-BCHFMIIMSA-N 432.616 4.934 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1540120595 LZJDUBIATCKRQA-NHZRIVAWSA-N 433.600 4.581 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CC)CCCC1 1540163950 DHJGPWIULCYHRU-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCS2)C1 1540884698 TYQMZRVYPJISAJ-UIFIKXQLSA-N 446.592 4.624 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(-c2ccc(OC)cc2)c1 1543169741 UBGCSNYIWSIWLQ-NRFANRHFSA-N 438.524 4.616 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1 1543604175 AKPOXOIWRDPQRO-OAQYLSRUSA-N 445.500 4.714 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 1543809422 KIRIETXCBNJXDE-KRWDZBQOSA-N 447.988 4.695 30 10 IJEE CCc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CN(CC)CC)C2)s1 1546250420 FINJGLQTZKLGBN-FQEVSTJZSA-N 448.640 4.657 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(C#N)C1 1557620463 WYHFTMJXMUWWAI-IGKIAQTJSA-N 443.547 4.622 30 10 IJEE CC1CCN(c2ccc(F)cc2NC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 1563322188 DGVPIHHQZXDDKT-UHFFFAOYSA-N 435.547 4.678 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 1563821170 BSGZQCUMKLBNMM-OAQYLSRUSA-N 426.944 4.610 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1)c1ccc(C(F)(F)F)cc1 1564406673 KYGPWFUUUKQDGX-YSSFQJQWSA-N 433.474 4.670 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCc1ccc(I)c(C)c1 1564677312 UUPBUGVCFGESFQ-UHFFFAOYSA-N 426.342 4.878 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)c(OC)c1 1566313478 ISJAPDACWLRKAQ-LJQANCHMSA-N 445.991 4.981 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCCC1 1587679301 ZSHWJXYKNGBBQB-RBUKOAKNSA-N 446.064 4.804 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1(c2ccccc2)CC1 1587813234 JHUGXFKMLBHXNM-UHFFFAOYSA-N 438.373 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](F)COC 1589599712 KDAYWRTWNNDFGU-FQEVSTJZSA-N 425.552 4.740 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1593795885 AHAQGMPJUZKUNP-UHFFFAOYSA-N 430.581 4.633 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N(C)Cc1ccc(Br)o1 1594798735 WEUWUAKOGWHDLA-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCc1cnn(C)c1 1594856435 GCGKFBBAFSVVOW-GOSISDBHSA-N 442.995 4.677 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCc1c(C)cccc1C 1595165535 JLWJVFGHTUFINC-UHFFFAOYSA-N 449.624 4.514 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CCCO1 1595260035 GEDLMATWAKLMLG-DNRQZRRGSA-N 442.604 4.594 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1595866507 NKKNKMBKBPAQIM-IBGZPJMESA-N 447.967 4.563 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1595884083 HFKZSRIUSFVHJG-SFHVURJKSA-N 428.602 4.856 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(NC4CC4)s3)s2)c(C(F)(F)F)c1 1596598712 FUMALIJJNJSEKH-UHFFFAOYSA-N 449.483 4.907 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccc(Cl)cc1F 1597002296 ILPAFPZCPOHPSC-UXHICEINSA-N 430.907 4.611 30 10 IJEE C#CCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCCc2ccccc21 1597626290 GTIHMCROWMSWSK-LJQANCHMSA-N 436.964 4.824 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCc1c[nH]nc1C 1615597499 BAWUUTOUAXXCQL-UHFFFAOYSA-N 445.596 4.612 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 1624875709 FKMZMLMEPZLBEE-HXUWFJFHSA-N 426.561 4.642 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cccc(Cl)c2-c2nnc3nc(C)cc(C)n23)c1 1625145254 CMFIFGBIRXDYDT-UHFFFAOYSA-N 430.899 4.711 30 10 IJEE COc1cc(NC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(F)cc1C#N 1626517784 FJWHGBNVIASUTN-OAHLLOKOSA-N 436.512 4.757 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 1628128428 RAVQDHLEMRBMHG-IBGZPJMESA-N 442.535 4.688 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cc(F)c(C#N)c(F)c1 1631521935 BNCGNKBBLOWYIB-QGZVFWFLSA-N 437.412 4.986 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc2n(n1)CCC[C@H]2O)c1ccc(C)c(C)c1 1633066018 IFBOILIDBZCICJ-XMMPIXPASA-N 431.536 4.739 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1640487703 JSELTGNIXQJUQU-CFGKVWFZSA-N 430.593 4.572 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)NC1CCCCCC1)C(C)C 1640963335 AYECDJFTZQLQRW-QFIPXVFZSA-N 442.629 4.999 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)C)C1 1649663209 FXRKSDZVEPUSSL-HBMCJLEFSA-N 427.618 4.598 30 10 IJEE C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1nccc(Oc2cccc(C#N)c2)n1 1650897813 HPXZPRLPUBCBCG-GOSISDBHSA-N 442.523 4.570 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc2c(c1)nc(CC)n2C1CC1 1650995121 SSDJBJJORJPQET-UHFFFAOYSA-N 438.369 4.998 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21 1651405103 PYJDSDJKIDWGKQ-FFZOFVMBSA-N 447.170 4.652 30 10 IJEE C=CCn1c(SCc2c(F)cccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 1652458076 CZWLGHWZAOEAII-UHFFFAOYSA-N 431.514 4.862 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(Cc3ccc(Cl)c(Br)c3)cnc21 1656154448 JZGLVPGJELJNBX-UHFFFAOYSA-N 428.764 4.639 30 10 IJEE Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2-c2ccccc2)cc1 1656351374 DPZAQVXYSXFZRZ-UHFFFAOYSA-N 425.517 4.845 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1OC 1657672167 HHXDRHNPUDXRKH-IBGZPJMESA-N 436.980 4.935 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1661685767 HMHNWTSQTHDYGM-LLVKDONJSA-N 436.377 4.978 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)cc1OC 1663573154 DRFKCAZZVVMWGH-INIZCTEOSA-N 448.913 4.536 30 10 IJEE Cc1cnc2c(S(=O)(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)cccc2c1 1664010995 HJPGZPLGRRJQBL-HNNXBMFYSA-N 433.455 4.665 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3c(Cl)cc(F)cc3C2)cc1 1667785486 BMGSJHJUZQGDPC-UHFFFAOYSA-N 427.907 4.884 30 10 IJEE CC(C)(C)c1cc(NC(=O)N[C@H](CCCO)c2ccccc2)n(-c2ccc(C#N)cc2)n1 1671278687 BYEZTNFPEQZXAP-OAQYLSRUSA-N 431.540 4.677 30 10 IJEE C#Cc1ccc(NC(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(Cl)c1 1674763929 IQKKKDHCABINDT-UHFFFAOYSA-N 431.964 4.966 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 1675070828 OBRCAUROQLXNDA-VXKWHMMOSA-N 427.589 4.715 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1675393021 CSQJTSOUWKONRU-JYWFKMLOSA-N 437.987 4.675 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1)c1ccccc1 1675604306 VEPFDCMOUHDZLI-QHCPKHFHSA-N 439.987 4.834 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1)c1ccc(Cl)cc1F 1679007004 GRUDFNJMAANLTA-SGTLLEGYSA-N 430.842 4.711 30 10 IJEE C=CC[C@H](NC(=O)NCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccncc1 1679026573 LQOUSPPCYVDSMB-VXKWHMMOSA-N 438.572 4.524 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 1680961252 HZIANJIMOPDJRA-FXAWDEMLSA-N 445.523 4.715 30 10 IJEE C#C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)c1ccc(F)cc1 1683498733 WSIDERZPEOJLOI-LJQANCHMSA-N 443.316 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1Cc1c(C)coc1C 1689841844 OZNGFTYXGJIFGG-SFHVURJKSA-N 436.556 4.849 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccnc(Oc2ccccc2F)c1 1689859440 ZZSSMBLMTBDMPI-GOSISDBHSA-N 433.531 4.843 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@@H]1C 1690026940 SBVSXRACMUXJPZ-DLBZAZTESA-N 431.367 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(C)(C)OC 1690211097 SJBFZYZIOQNHBQ-XMMPIXPASA-N 445.007 4.669 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOc2ccccc2)CC1 1690365719 FBHSZRVTWFCYQL-UHFFFAOYSA-N 442.361 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1690404638 LWFISKSUKUCUAK-UHFFFAOYSA-N 439.604 4.825 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 1690444939 OQDGCNIQMKNXKM-LJQANCHMSA-N 432.490 4.863 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1690447569 RSOCIWCEJMRFEH-OAQYLSRUSA-N 437.632 4.677 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C)c1 1690581556 UJCREGDMEOAARU-UNMCSNQZSA-N 438.597 4.613 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1690588104 JCFFDRIUPPOFGL-GOSISDBHSA-N 429.012 4.682 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(OC)CCC(C)CC1 1690601207 UCIOXZDOIMPXRB-IYZJKTGWSA-N 430.637 4.970 30 10 IJEE CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1)SC 1694265866 AULKWBHPEJVOHO-JOCHJYFZSA-N 438.576 4.857 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1705530445 XPXVUKYRZHQNFZ-UHFFFAOYSA-N 446.574 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1cccc(OCC)c1OC(F)F 1705666986 LHYQVUNWNDDXTG-WAIKUNEKSA-N 432.515 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1c(C)noc1C 1705668124 FHPRFKMHNOFGSA-QFQXNSOFSA-N 447.583 4.875 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2ccn(C)n2)CC1 1705777812 PJFJFUWACPMGAD-UHFFFAOYSA-N 431.371 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(C#N)cc1 1705793768 JEFCOTOZVAOQQO-UHFFFAOYSA-N 439.567 4.627 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705800970 OUSCDHAXXHLQLE-QGZVFWFLSA-N 442.970 4.896 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)OCCc2sccc21 1705835060 ZAYJRQTWXYXURO-MWTRTKDXSA-N 442.560 4.729 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC2(CCCC2)C1)C(C)C 1705866836 AWBHTPAOTGIJOL-GOTSBHOMSA-N 441.664 4.989 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H](C)c1nccs1 1705868314 INFUFXDRMSPDGQ-QGZVFWFLSA-N 436.610 4.778 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705889072 JGSHJGNERVLBGS-UHFFFAOYSA-N 431.968 4.668 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1705943168 PRMXVGDXTHTKKE-QFIPXVFZSA-N 444.608 4.590 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(OCc2ccccn2)cc1 1706077198 GVTUYEGUFYLDTC-HXUWFJFHSA-N 444.583 4.629 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1Cc1cccnc1OC1CCCC1 1706745784 HVGAZBLNRAFGTB-QGZVFWFLSA-N 434.519 4.587 30 10 IJEE CC1(C)CCCN(CCn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1706947257 GZEQLGUXOUTKLJ-MHZLTWQESA-N 448.659 4.705 30 10 IJEE Cc1cc2cc(Cn3c([C@@H]4CCO[C@H]4C(C)(C)C)nnc3N(C)C[C@H](C)C#N)ccc2[nH]1 1707313595 GBQPYICMDHERAQ-BSLALVQMSA-N 434.588 4.631 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(C3CC3)CC2)c1 1711710812 DFCLBUVLKKZYIT-CQSZACIVSA-N 444.377 4.502 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722339930 HDESTXNJHRMWQE-NRFANRHFSA-N 449.624 4.982 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1cc(Br)cs1 1722404334 ZNLKLRBADDZAEI-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCS[C@@H](C(C)C)C1 1722495828 IDDCOMHGKKOSIE-FCEUIQTBSA-N 426.630 4.813 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1722612501 HZDDBPCBCFJOKX-UHFFFAOYSA-N 436.947 4.664 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CCCCC1)N(C)C 1722657756 NRRKYWXOECLFNO-DEOSSOPVSA-N 432.616 4.976 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](OC)C(C)(C)C 1740542570 ACKZTOALMYVTJF-SIKLNZKXSA-N 426.605 4.889 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 1740565481 AVMUUBHLUPNKJN-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCCN1CCC(C)CC1 1740651268 DNFCHZNHDBHKEW-UHFFFAOYSA-N 438.019 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCN(C)C1CCCCC1 1740733187 FPOMVFDWTRCQGD-HHHXNRCGSA-N 433.644 4.710 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCSC1(C)C 1740733353 BQFIGVTUJIRAOX-CJFMBICVSA-N 438.641 4.998 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(C)o1 1740748294 KEIHWZJHIQKSPX-UHFFFAOYSA-N 431.334 4.612 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@H]1C 1740789892 MPKQXKBISXEONM-RTBURBONSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1740793058 OIWZUFPKBDHUBK-HSZRJFAPSA-N 444.595 4.549 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCCC2)CC1 1740842119 NGZUBKPVXKJHBY-UHFFFAOYSA-N 432.037 4.722 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1ccncc1Cl 1740935425 LXYMMUQRMLMNON-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(C)CCCS1 1743723905 GNGTZLNXWXQEDU-DVECYGJZSA-N 438.645 4.666 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC1CCOCC1 1748552287 HAVNSWZXFILYAI-HSZRJFAPSA-N 443.979 4.554 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1748757583 HGOMHBLYMHDZCO-XMMPIXPASA-N 430.600 4.522 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1749026508 KSLPJOKURIEBSX-NQIIRXRSSA-N 430.593 4.531 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1749090725 XGESNKKUNNRCHP-GOSISDBHSA-N 438.329 4.968 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC2(CC2)C1 1749110086 GALAVAQETRYEAO-UHFFFAOYSA-N 437.769 4.800 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1749183321 YRMSIZBNLPUGEK-NRFANRHFSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc(Cl)ccn2)nnc1[C@@]1(OC(C)C)CCOC1 1749377360 SPQSYUZINNIPCE-HSZRJFAPSA-N 448.011 4.606 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCCN(C(=O)OCC(C)C)CC1)c1ccccc1 1749384423 BISPOFXDFKDPGV-JOCHJYFZSA-N 439.604 4.505 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1749393202 NVNDOFAKMYMFGM-LJQANCHMSA-N 444.023 4.943 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1749412700 PIDNTOOHAOWOFG-NLFFAJNJSA-N 440.588 4.790 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(SC)c1 1749540703 AFZZVCZHEWGBML-UHFFFAOYSA-N 434.544 4.770 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)c1nccs1 1751121543 BPXUHPWMKMEKPZ-OWCLPIDISA-N 428.537 4.556 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760130142 DVQODENGTKVYDH-HXUWFJFHSA-N 444.526 4.603 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760158570 OUPUOBUYUVRKOE-AUSIDOKSSA-N 436.600 4.572 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(Cl)s1 1760215050 MRFROVFHLPOXRZ-UHFFFAOYSA-N 445.375 4.833 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCCC1(C)C 1760226334 CKHMIIBUVFHNAC-BXKMTCNYSA-N 426.630 4.532 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)C1CC1 1760287040 DHWKSBGVDBTMNE-FGZHOGPDSA-N 438.641 4.732 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN(CC)C(C)C)CC1 1760382523 SCFSCFPZSSDOOA-LJQANCHMSA-N 432.012 4.958 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCCN(C2CCCC2)CC1 1760427164 QRTFSTGOZWMMBF-UHFFFAOYSA-N 437.632 4.689 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cnn(CC)c1 1760434628 HKXBJKFNWLGHKO-UHFFFAOYSA-N 447.356 4.666 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760457001 CJBUYNRUDCWKAF-AWEZNQCLSA-N 445.539 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@H](C)N1CCC(C)CC1 1760478745 QJUUXIIYPWGZLN-FCHUYYIVSA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCCC1CCOCC1 1760484114 NIDAUOPYVPZZEG-JOCHJYFZSA-N 428.552 4.668 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)c1c(C)noc1C 1760504652 XCCXSLWXUBEZLN-QGZVFWFLSA-N 446.555 4.541 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1760560356 SWKYJCIUSGJSGT-QGZVFWFLSA-N 435.037 4.852 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H](O)C1 1761077708 GOOJXCMLOBCULX-UNMCSNQZSA-N 444.023 4.840 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1762739699 FKAXXEMAZMMZIV-XJUOHMSHSA-N 436.648 4.906 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccoc1)c1ccco1 1764921087 AANLLNRPNXREMT-QFIPXVFZSA-N 444.539 4.722 30 10 IJEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1767250151 CVBLZRNRWXVAHP-WOJBJXKFSA-N 447.505 4.973 30 10 IJEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1767328486 GCEFLBLUHRHQPT-UXHICEINSA-N 427.618 4.742 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCN2C2CCCCCC2)cc1OC 1772569597 NBCUINIKUSQUAO-IBGZPJMESA-N 437.422 4.909 30 10 IJEE COCCN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C#N)c1cccc(Br)c1 1857959921 BCDVFDGLNBCJSE-KRWDZBQOSA-N 441.247 4.821 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862430289 HOGISEKLZQRUOG-HXUWFJFHSA-N 431.891 4.873 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431462 HVBOWHXYNNTMLL-HNAYVOBHSA-N 432.303 4.751 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccccc2)ccc1F 1862508161 XYRDIZLZATXXJK-QHCPKHFHSA-N 436.527 4.588 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2Cl)c1 1862560477 ILWWSBHWSDXWIM-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1 1862581517 JTVSVYMLRGFGCI-LJQANCHMSA-N 448.302 4.926 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2cc[nH]c2c1 1862651399 RVGFBFZKLZUEFS-QHCPKHFHSA-N 426.472 4.546 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(CC)CC)cc1 1862673001 JNGXDAGDDLKXCN-QHCPKHFHSA-N 438.543 4.698 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862688695 YXBVLQVPHFAZEI-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862690602 CCNRFHXVKNMHKC-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862695008 YDILIWKQWBPNRG-NRFANRHFSA-N 436.464 4.514 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862989601 HXVZIDSQLNXLEU-UHFFFAOYSA-N 448.482 4.614 30 10 IJEE C=CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870812592 WSKOFSCVXKIDJX-UHFFFAOYSA-N 442.519 4.783 30 10 IJEE CN(C)CCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O 1871346089 DBQOLNCVQZOLJT-JAIQZWGSSA-N 433.335 4.713 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)cc1 1871424511 LUTPZIWSPJVKRY-YNJLWJOVSA-N 443.499 4.876 30 10 IJEE C=CCN(CC=C)c1nc(=Nc2cc(Cl)ccc2Cl)nc(N(CC=C)CC=C)[nH]1 1871734176 OTIKPNULYNEICG-UHFFFAOYSA-N 431.371 4.701 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(OCC)cc1 1871972030 MVEPAHUCYNZTFL-JOCHJYFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872007005 PMENMYLVEIEICI-INIZCTEOSA-N 434.989 4.841 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872023485 HJBWBQLIEXHUAG-QFIPXVFZSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1872130884 JJMYUMMPDJGPAH-NRFANRHFSA-N 434.989 4.960 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872489758 ZDQRZFOURPNGSN-GOSISDBHSA-N 434.989 4.778 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774407 QCAWINDKLLJZRF-CXAGYDPISA-N 440.908 4.878 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(SC)c2)=C(c2ccccc2Br)C1=O 1873254022 ZJLATTGMBKESKB-UHFFFAOYSA-N 429.339 4.549 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641812 NLRBKIZVMAZWLT-UHFFFAOYSA-N 437.507 4.666 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674259 OANGZSOLHVSXPN-UHFFFAOYSA-N 437.547 4.995 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cc(OC)ccc1OC 1874230320 DEMPWWGWOPTTDA-FSJBWODESA-N 446.960 4.830 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1cccc(Br)c1 1874239428 HTMMQPKBTOCZEL-CIAFOILYSA-N 447.358 4.622 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1O 1874279194 YPXYNUDZHGRFOZ-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCCO)n1/N=C/c1c(F)cccc1Cl 1874300986 CEIASAKFGZIDDT-WYMPLXKRSA-N 448.951 4.623 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cc(Br)ccc1F 1874322192 FDYUTRZDSSDTMR-LSHDLFTRSA-N 449.349 4.980 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1OC(C)C 1874425058 PMBLLUQSSLYBEC-LPYMAVHISA-N 444.582 4.721 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(O)c1 1874427100 QNMSPJJFJBSRSL-MFKUBSTISA-N 443.532 4.572 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(Cl)cccc1Cl 1874431090 CMPGHXDMJVZSTF-YSURURNPSA-N 448.379 4.704 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1F 1874436830 CDEHJLCFCLUFEB-DHRITJCHSA-N 443.523 4.758 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)c1 1874442325 YVNLLGNCIWTELY-GQBLCDNYSA-N 438.553 4.630 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)cc1 1874489643 CLKCYRQYAGQKIQ-ZMOGYAJESA-N 426.517 4.577 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1cccc(OCC)c1 1874507236 RYPQEMADXJOVDD-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCC(=O)Nc1c(C)cccc1C 1874532030 NXSOVJDGNOOCNV-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc(Cl)cc1 1874570155 NRHGXLXZHSTZEP-OEAKJJBVSA-N 430.961 4.901 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1874692543 MHUIBYQONMHFNG-MDWZMJQESA-N 431.400 4.635 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccccc1F 1874698381 TWYZTRUZRMKYCS-WUXMJOGZSA-N 435.407 4.787 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc21 1890691140 OWSMXHRRJFVKLO-UHFFFAOYSA-N 434.414 4.775 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 1890766526 RNQKIXSZZQRMFN-UHFFFAOYSA-N 442.943 4.912 30 10 IJEE Cc1nc(-c2ccccc2)sc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891430305 DCPMMFPFUMPSFT-UHFFFAOYSA-N 430.451 4.950 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 1922069925 VEFQYNGZUJDTGE-RTBURBONSA-N 430.511 4.831 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(I)c([C@@H](C#N)C(F)(F)F)c1 1952395105 BRTQUCBXDHILMA-SNVBAGLBSA-N 426.176 4.808 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C2(C)C)cc1 2015049489 ALZWTHMEZVKHFZ-HSZRJFAPSA-N 431.533 4.728 30 10 IJEE CCCC#CC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024385276 LFMQJCGGJRHBAK-OZXSUGGESA-N 427.633 4.718 30 10 IJEE O=[N+]([O-])c1c(Br)nn(Cc2ccc(F)cc2C(F)(F)F)c1C(F)(F)F 2079163854 URRFBRCDUPKEAR-UHFFFAOYSA-N 436.081 4.779 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNc1cc(Br)c(C#N)cc1F)CC(F)(F)F 2117338543 MYQCLAOUCYYTDV-JTQLQIEISA-N 440.235 4.717 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)cc2)OC1(C)C 2159214489 IBCMNOKOTZAUSV-YGTOKIDASA-N 446.444 4.519 30 10 IJEE COC[C@]1(CNc2cc(Br)cc(C#N)c2)CCCCN1C(=O)OC(C)(C)C 2162417518 FEYHCDZPRADNSK-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE C=CCC1(NC(=O)c2ccc(F)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2174759619 FDQYMOZLLNCUNQ-UHFFFAOYSA-N 441.341 4.664 30 10 IJEE CCN(c1cc(Br)cc(F)c1C#N)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2174809660 CIGBDIUOMKPUDW-DYVFJYSZSA-N 440.357 4.980 30 10 IJEE CCN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2174811151 USCYEBPNAZRPSI-SUMWQHHRSA-N 440.357 4.980 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181137251 ZOUZYYJNPVMABQ-GUYCJALGSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)Nc1ccc(Br)c(C#N)c1)C1CCC1 2186772043 VUYSVYWVCMMGQS-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2235726671 YDCCHGXDYASPMX-MOPGFXCFSA-N 435.406 4.718 30 10 IJEE CCN[C@@H](CC#CC1CC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428595 PFTOVOCXXLQCCL-PMACEKPBSA-N 435.406 4.667 30 10 IJEE CC1(C)OB(c2ccc(C(=O)NCc3ccc(OCc4ccccc4)cc3)s2)OC1(C)C 2267288413 BVLQCXPNNWZQJI-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2267464333 NKILXKSXXYYBLQ-UHFFFAOYSA-N 444.381 4.709 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC(F)(F)F)c1 2273000362 DBQBRMHRKKFUJP-KBPBESRZSA-N 439.272 4.688 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCCC(=O)Nc2ccc(Br)cc2C#N)C1 2296134631 PIGCQUUJFDWYQT-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(CNC(=O)OC(C)(C)C)CCCC1 2296219456 OKQVEJULOCBALW-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C 2296266923 NFSKRWSEWUORJE-XUVXKRRUSA-N 435.406 4.862 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cc(OC)cc(OC)c2)C1=O 2297485901 NRRKLXUTAHJAJD-UHFFFAOYSA-N 425.506 4.556 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1ccc(C(C)C)cc1 2314522659 SBESJSNJMXDSTF-DEOSSOPVSA-N 436.552 4.723 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCC(=O)Nc2ccccc2C)cc1 2320974026 JXFUMTURWRLGFH-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)C1 2321164846 QHRKULJJXWJWFS-KOSHJBKYSA-N 445.560 4.655 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2ccc3ccccc3c2)c1OCCO 2322327948 WJGAQQRMLYAQRH-UHFFFAOYSA-N 427.294 4.878 30 10 IJEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O 2323087710 WYOHZRNSTDOYNL-UHFFFAOYSA-N 442.254 4.989 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)cc1 2323381041 BTIZQEOCFHFZPK-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2323795867 AAWPYLKHCHGCNK-UHFFFAOYSA-N 430.412 4.649 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324451207 OGKPJWCRLNBOHD-HNNXBMFYSA-N 433.435 4.857 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O)NCc1ccco1 2325559049 XBPMCZHOLGJGKY-UHFFFAOYSA-N 444.270 4.898 30 10 IJEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(Br)ccc1O 2325584808 YUEPIKMVJLTXCB-UHFFFAOYSA-N 431.359 4.792 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)c1 2325740082 OPSXYWCZDHZTJL-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2ccccc2F)ccc1OC 2326269340 COGRUZFXULHUAO-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COc1cc(Br)cc(C=Nn2cnnc2SCc2ccc(C)cc2)c1OC 2326287161 QZDCHACWYRXZMN-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1OC 2326763520 ZOEHURZFXATYMX-UHFFFAOYSA-N 448.548 4.696 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] 2331018190 HULPYQNZOMOAJJ-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2sccc2C)o1 2331201132 RJNVNFIGTJAHPI-UHFFFAOYSA-N 442.522 4.852 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C(C)C 2331364707 XPUHOVCUFMRRQK-UHFFFAOYSA-N 427.453 4.768 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCC2)c1 2331543675 CVYUPIVCOAJELY-GOSISDBHSA-N 433.581 4.706 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2sccc2C)cc1 2331683992 DSARFMTXDIMRES-UHFFFAOYSA-N 427.599 4.947 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2331709435 UODKMJYWSBNMII-MRXNPFEDSA-N 441.988 4.907 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1Cl 2331823513 PAOIDNCZIRZLDC-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE CC#CCN(C[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC)C(=O)OC(C)(C)C 2337907854 RZQGAGNGAPRLTP-MRXNPFEDSA-N 443.813 4.802 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339539750 MHGASQMNVOPSAI-SFHVURJKSA-N 443.397 4.926 30 10 IJEE C[C@@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339586619 IGHBRPWFVQLENM-IEBWSBKVSA-N 443.397 4.926 30 10 IJEE C[C@@H](Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)c1cc(Br)cs1 2345740534 FPHDVPMBHAAKOB-SNVBAGLBSA-N 427.148 4.517 30 10 IJEE Cc1cc(Br)c(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)s1 2369613964 TZSJCVNEKFPMHJ-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE COc1ccccc1CN/C(=N\C(=O)Nc1cccc(Cl)c1)Nc1nc(C)cc(C)n1 14156214 FESDPJLIKJEFLZ-UHFFFAOYSA-N 438.919 4.545 30 10 IJEE COc1ccc(NC(=O)Nc2ccc(SC3=C(N)C(=O)c4ccccc4C3=O)cc2)cc1 21348699 SMWLKEWZAMGGKF-UHFFFAOYSA-N 445.500 4.681 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1ccc(Cl)s1 22829384 OQYZGVDTTLUQBK-OAHLLOKOSA-N 427.776 4.683 30 10 IJEE CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCc1ccc(F)cc1 33682955 AOTBUDQCHMXPKW-PXNMLYILSA-N 434.261 4.882 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 39840013 HTZLZJZPWPCROR-RDPSFJRHSA-N 445.515 4.699 30 10 IJEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1F 59146770 PCGYTPVOXYBGKL-MEFGMAGPSA-N 436.487 4.511 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCCC(=O)Nc1ccc(OCC)cc1 59266019 XKPNUUWNXMXZCN-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 169964131 GVMOQZZVZANQGQ-HXUWFJFHSA-N 425.362 4.592 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1)c1ccc(Cl)cc1 170049707 IFNTZRHMYABYQR-QFIPXVFZSA-N 447.874 4.894 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)c1 170058845 VYUSARWIHMLULW-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 170072513 JIBMSLAORICCFZ-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170104065 VUBXMBPUXNUHIH-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@H]3c3cccs3)ccc2O1 170167101 WTCIECARUDKTBB-FPTDNZKUSA-N 449.503 4.989 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)c1 170184928 OZDZHERYSNPILX-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)cc1Cl 170191116 DMHOHSUIKLHGRP-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)c1 170218839 JMUFDJJMCCJXQB-VOIUYBSRSA-N 447.531 4.930 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2C)cc1C(C)C 170273563 IOQFJSMJAGSOCT-DVECYGJZSA-N 449.547 4.884 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C)o2)cc1C 170307408 IWWLWEUCQGFZIQ-HSZRJFAPSA-N 446.503 4.859 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCC)c1 170323704 OMILPOPVZXRYNQ-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE COC(=O)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(OCC(F)(F)F)c1 429197730 BQAYGNFKWIRYOA-UHFFFAOYSA-N 439.283 4.825 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 460779264 CDYSYNWCRMQLCD-CVDCTZTESA-N 430.508 4.601 30 10 IJEE COc1ccc(-c2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)nc2)cc1Cl 469902411 XHMAFIIDPKZIBR-QFIPXVFZSA-N 429.904 4.611 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 502664148 CYVNJTGDGVIQNO-WKTMYNRHSA-N 430.552 4.621 30 10 IJEE COc1cccc(COc2cccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2C)c1 503614654 XEPXCUIGDRKPIP-VWLOTQADSA-N 438.524 4.783 30 10 IJEE C=CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 508846096 QGBMBHZMNAOJMH-FQEVSTJZSA-N 444.457 4.736 30 10 IJEE CCOc1cc([C@@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526516527 OVQCQUGZSFCPLP-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 526772076 BNOZMNIQXKWYQA-OAQYLSRUSA-N 447.874 4.910 30 10 IJEE C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(-c2ccc(F)cc2)cc1 539869280 ZMCRQVQEUTUSKD-SFHVURJKSA-N 445.494 4.991 30 10 IJEE C=CCN(C(=O)c1csc(C)c1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 540252373 FQONFKVFRLPLMG-UHFFFAOYSA-N 432.592 4.725 30 10 IJEE CCn1c(-c2cn(-c3ccccc3)nc2-c2ccccc2)nnc1N1CCC(C)(C#N)CC1 549380673 WWWSWNJFMMRENY-UHFFFAOYSA-N 437.551 4.948 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 670197065 RCVRJBOPCOJTEC-QGZVFWFLSA-N 439.501 4.679 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1=S 764991816 VAZFARAZEXEJDR-UHFFFAOYSA-N 449.646 4.617 30 10 IJEE C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nccc5ccccc45)nc(O)c23)C1 792104949 SJYYPAYWZISUKE-KDOFPFPSSA-N 442.544 4.879 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1=S 797418415 SIVXCTCYPSQVJK-JLHGSKIFSA-N 449.020 4.536 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1cc(C)cc(C)c1 802563486 PNTMQWCYXGAVHF-UHFFFAOYSA-N 433.556 4.534 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 802581632 XPRYBHZRSMWASK-QHCPKHFHSA-N 440.975 4.836 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 803525801 VELCNUZRTNFBIQ-RDGATRHJSA-N 444.962 4.952 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CC1)c1ccc(F)c(F)c1 814383477 YBOSTEJOMMFJCF-LVCYWYKZSA-N 449.542 4.871 30 10 IJEE C[C@@H]1Oc2ccc(/C(=N/OCc3ccc(Br)cc3)C3CC3)cc2N(C)C1=O 821229191 XXOWQIPLTWSBSH-QPUWHFKTSA-N 429.314 4.524 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)s2)c(C(=O)OCC)c1C 1124820165 BLINLYSASPNWOY-UHFFFAOYSA-N 447.456 4.909 30 10 IJEE C#CCN(CC)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1125329012 MKYWOSXJSXXWJS-UHFFFAOYSA-N 432.593 4.806 30 10 IJEE C#CCN(C(=O)c1ccc(C(C)C)nc1C)[C@H]1CCOc2ccc(Br)cc21 1126227678 CYLPQUKMKQDILA-FQEVSTJZSA-N 427.342 4.875 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)cc1 1127856265 CHBFCAAKTLYXQR-UHFFFAOYSA-N 448.519 4.517 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 1128965489 LXWVZHVVFJTLOP-FQEVSTJZSA-N 447.535 4.958 30 10 IJEE COC[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(Cl)cc1 1129141674 HZDNGSCCIXQLAP-QFIPXVFZSA-N 434.923 4.951 30 10 IJEE Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)c1 1129862488 AGIJOVDSNFLRTA-LOSJGSFVSA-N 427.523 4.538 30 10 IJEE CCn1c(O)nc2ccc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cc21 1143482678 GUUFWGXVULJCHV-UHFFFAOYSA-N 430.439 4.604 30 10 IJEE C=CCCONC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1149451969 LUOUNHLHAKCCDY-UHFFFAOYSA-N 442.515 4.963 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1159427969 SPJLYANQPJWOOZ-INIZCTEOSA-N 425.367 4.733 30 10 IJEE Cc1cccc(S(=O)(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1C#N 1187063486 DRSBHEWNWSASCV-UHFFFAOYSA-N 439.364 4.653 30 10 IJEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H]1CCC[C@H]1C(C)(C)C 1195277338 FHZRNELKNPERQQ-ZEYPLWLESA-N 440.632 4.503 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(OC)c3oc(C(=O)OC)cc23)cc1 1202706457 AJZCKDATXPSLGP-UHFFFAOYSA-N 434.492 4.654 30 10 IJEE N#CCOc1ccc(NC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1 1206727769 IEKVWHWSAUMBJP-UHFFFAOYSA-N 430.287 4.514 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(COCCOCC)c1C)c1ccc(Br)cc1 1215462517 JGQHCGYDXHONOM-FQEVSTJZSA-N 445.357 4.807 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 1221721964 RUYHKZBKVWZMNN-OAQYLSRUSA-N 432.992 4.818 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1229989871 OJDGUMUGDUEWFV-DHIUTWEWSA-N 441.616 4.852 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C 1251490062 OBGNUNSIJCBSGF-OAQYLSRUSA-N 426.467 4.507 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1264166093 RGXZGQLPEAVAIE-HXUWFJFHSA-N 440.609 4.871 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(C)c(Br)c(C)c2)CCCN1C(=O)OC(C)(C)C 1271610459 AISFJSNBWORQOC-OAQYLSRUSA-N 435.362 4.797 30 10 IJEE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(c1ccccc1C#N)C1CCC1 1279121046 BQUNOFQZGQSEGE-KRWDZBQOSA-N 442.606 4.808 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(COC)CCCCC1 1286450114 CVDOUISHSXMENM-LJQANCHMSA-N 428.552 4.614 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H]1CC=CCC1 1286496597 GTFZXMZBVKQLFS-FQEVSTJZSA-N 431.609 4.961 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1286558384 OKHXFLMPWNQDST-PTLVVNQVSA-N 426.605 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(OC(C)C)CC1 1286560871 JXKLMICCERGBJS-GCJKJVERSA-N 445.007 4.974 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286588010 HZZKBIHBLKWTKE-FUHWJXTLSA-N 445.995 4.914 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1286600007 GUHJKBNKALBYAD-IBGZPJMESA-N 449.640 4.610 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1c(C)nn(C)c1C)C1CC1 1286732839 ZTJCIMXMXZXCMN-FQEVSTJZSA-N 434.588 4.588 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1ccc(OC(C)(C)C)nc1 1286767316 NXIFFCAVTCHBSJ-UHFFFAOYSA-N 435.572 4.513 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286771702 IRVGHIWCARLJRO-SFHVURJKSA-N 432.515 4.799 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C/C=C\CC)C1 1286805937 VRWQXSFPJAWASH-OGZRUICASA-N 435.341 4.594 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCCN1CCCC[C@@H]1C 1300321713 NCTZXXHGIVENNP-PKTZIBPZSA-N 437.632 4.586 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(N(C)C)CCCCC1 1300449195 OFGODBUBLSPRPM-UHFFFAOYSA-N 437.632 4.704 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCCCN1CCCCC1 1300560606 GHLZFYWWXNTMRH-UHFFFAOYSA-N 438.019 4.718 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCSCC(C)C 1300571282 AIGOEDSGCHPWHD-UHFFFAOYSA-N 445.430 4.560 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC1(N(C)C)CCCCC1 1300642742 TUUYBRYCEUSVQS-UHFFFAOYSA-N 425.596 4.619 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H]1CCOC1 1300740982 JIZPZNHAIYSTDA-OAHLLOKOSA-N 447.029 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ncc(CC)s1 1300779343 AIVLEQXQEUMLLV-QMHKHESXSA-N 439.560 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccoc1 1300789342 IBQFDEGGCXIEIT-OAQYLSRUSA-N 425.330 4.649 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 1300877088 UIUDKACANILEPA-HNAYVOBHSA-N 449.368 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](CC(C)C)C1 1300898617 YUIGZBKSXOBKAF-NMMYMHLASA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C(C)C)N1CCCC1 1300909373 QSAXHCJVLVNLGV-XMMPIXPASA-N 434.632 4.960 30 10 IJEE C=C(C)Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300965014 BKORHIPUGXQOBN-OKILXGFUSA-N 442.391 4.524 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1301118828 KGAUQNKSHQSCLR-OAQYLSRUSA-N 430.600 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301144129 WMRYOXVGJMIDLO-QRTHJKPMSA-N 445.007 4.807 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1301151065 IMBBTKOMZIGBNR-PXNSSMCTSA-N 448.970 4.755 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(C#N)cc1 1301201972 BVCQWFAXTVSMKY-UHFFFAOYSA-N 439.361 4.520 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 1301473911 NJQOSRJZHMSKCO-RTWAWAEBSA-N 437.588 4.605 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCc2sccc2C1 1305596312 AFABUHTWCKZPHD-IBGZPJMESA-N 448.640 4.809 30 10 IJEE C=CCn1c(Sc2cc(OC)nc(COC)n2)nnc1-c1ccc(C(C)(C)C)cc1 1306921424 RIPLVTQIHLAWIG-UHFFFAOYSA-N 425.558 4.525 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1312537549 UIOBHGOLBYNXKN-VCDSYBKSSA-N 435.515 4.813 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(F)ccc(Br)c2C1)c1ccc(Cl)cc1F 1312941370 FNZSOFMQOFBEMC-SFHVURJKSA-N 439.687 4.823 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1CC1(N(C)C)CCCCC1 1314728682 CTANWLGPRDNNCE-UHFFFAOYSA-N 434.632 4.783 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 1349101486 HNVDUHAXEMRPAF-NDEPHWFRSA-N 443.543 4.985 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1351047744 VDTALONEOOAOSL-UHFFFAOYSA-N 431.558 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1CCN(CC)CC1 1358873799 OLWQTXGWSLUYQY-RTBURBONSA-N 444.023 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCC(C)CC1 1358876251 GDWKLTMXXIHMAT-LJQANCHMSA-N 445.558 4.517 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1358915347 AHGGDEKWHAQQOG-JOCHJYFZSA-N 433.600 4.869 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCC[C@@H](C)C1 1358938973 NEDOHZMZWJYHMQ-DENIHFKCSA-N 437.632 4.615 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCCCC1(F)F 1359019259 OUUTXVUXJRNLGK-RTWAWAEBSA-N 430.543 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1359067931 IEYZASLJVREGAF-KBMIEXCESA-N 437.588 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](Oc3ccccc3Cl)C2)nnc1C(C)(C)C 1359105191 LBVCGTUCYGEKBF-LQWHRVPQSA-N 445.007 4.868 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN(CC(C)C)C1 1359108855 GBCZMAQRAIEBRM-HXUWFJFHSA-N 440.592 4.624 30 10 IJEE C=C(C)Cn1c(N2CCCC3(CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125056 NZCATUXYSWOTPG-KDURUIRLSA-N 429.609 4.786 30 10 IJEE C=C(Cl)Cn1c(N(C)c2cccc(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359156275 AJOGRNRWIKWYQO-CALCHBBNSA-N 431.968 4.878 30 10 IJEE C=C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@@H](OC)C(F)(F)F)CC1 1359163932 YEATYGXOCZCHFT-LJQANCHMSA-N 433.478 4.561 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCO[C@@H]1CCCC[C@@H]1C)C1CC1 1359247871 RUVXCDGZGWJVLT-LAUBAEHRSA-N 425.533 4.603 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1 1359254455 SEPYEAFFFXAAQJ-LEWJYISDSA-N 447.583 4.747 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1sc(C)nc1C 1359260899 QZEOKBHNTMETEB-IBGZPJMESA-N 441.576 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccccc1 1359263123 QDGSSRFSYVUOQA-RUZDIDTESA-N 445.592 4.810 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1359342128 PRCCKLJCQUTDGG-OAQYLSRUSA-N 440.613 4.538 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(OC)c(Br)n2)c1 1361104844 XONQHPXHWUVCQU-UHFFFAOYSA-N 427.323 4.743 30 10 IJEE C#CCN(C(=O)CC[C@H]1CC1(Cl)Cl)[C@@H]1CCOc2ccc(Br)cc21 1435175763 NLCFFJCRHGWFQY-SWLSCSKDSA-N 431.157 4.709 30 10 IJEE C#CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1436159385 VTBSNVNCQGFKTM-UHFFFAOYSA-N 445.375 4.863 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1 1443859477 YQBKURVHLNYMOA-QZTJIDSGSA-N 444.494 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)Nc2cccc(CC#N)c2)CC1 1449723855 CXIWJFVZWVRFOT-UHFFFAOYSA-N 434.540 4.573 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)cc1OC 1462175088 IWQCXQLHAJCHJP-MRXNPFEDSA-N 436.961 4.802 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 1468112652 MWUNXMYZBARDSU-HSZRJFAPSA-N 425.548 4.759 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](c2ccc(F)cc2F)c2nccn2C)cc1OC 1474292174 YDYCAHLBMLABLJ-FQEVSTJZSA-N 433.886 4.804 30 10 IJEE CC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CC1 1493467449 DYIOFGPMQDXNKC-GQOXECLESA-N 427.643 4.680 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCSC 1507642248 RHSIBXJAFKWLOS-UHFFFAOYSA-N 435.622 4.593 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1507681804 CBURUNFJYHAFLE-PMACEKPBSA-N 433.600 4.907 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1ccc(COCC(F)(F)F)cc1 1507762378 UIZKVRKYYUBBDH-HTAPYJJXSA-N 434.506 4.911 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2nc3ccccc3s2)nnc1C(C)(C)C 1507811733 UKTIUXMRVIBEAZ-JXFKEZNVSA-N 425.602 4.803 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@H](C)c1nccs1 1507870373 HRAQBXHENWCTEN-INIZCTEOSA-N 431.993 4.923 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 1507895088 SJRXAAQPITURON-HSZRJFAPSA-N 437.632 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1507912930 ZUTKFKIQPPAVMN-OAQYLSRUSA-N 449.603 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1507913996 DIRSGGWNXWCDRC-HOTGVXAUSA-N 438.601 4.526 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(C)CCCS2)C1 1508113403 GBWMOKAVGJLEMI-LGVFNWMJSA-N 426.630 4.887 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)c2cnc(Cc3ccc(F)cc3)s2)c1 1524918577 BFPYLBDWEVIJIW-UHFFFAOYSA-N 431.286 4.864 30 10 IJEE C#CCN(C(=O)c1cc(Br)nc(Br)c1)[C@H]1CCCc2ccccc21 1536287968 JXEGNOXMWMGENE-INIZCTEOSA-N 448.158 4.760 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)ccc1Oc1ccccc1 1537996829 DUPUGYMLIONYIS-HXUWFJFHSA-N 425.488 4.841 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOCC2(CCC2)C1 1539053371 QJYWSCYOQBFNAR-JOCHJYFZSA-N 436.600 4.845 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086487 GUFDUEXDEQLLQZ-UWHLTILDSA-N 441.620 4.621 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccccc1 1539350723 WTMXJGVYXJEEOZ-VWLOTQADSA-N 434.609 4.643 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl)c1ccccc1 1539636998 YKICFIPXGLKKHF-LJAQVGFWSA-N 431.920 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCCC1 1539651226 BSFKWUFLUGQZOU-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC2(CCCC2)C1 1539715596 AOCWIMDVIUKPFL-UHFFFAOYSA-N 431.378 4.966 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1539820794 QZRCNSWILUZPIE-HXUWFJFHSA-N 437.034 4.665 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCOC2)CC1 1539878061 QEQROEXMIHBOIR-HNNXBMFYSA-N 437.407 4.598 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1539910483 XDTQOWDIHDHPPZ-QFIPXVFZSA-N 435.616 4.701 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CC=CCC1 1539961563 ZLHKTDRVTSJXMK-HXUWFJFHSA-N 446.599 4.824 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCS[C@H](C)C1 1539984801 AYMVAVTXHCISJS-CQSZACIVSA-N 437.407 4.624 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2C(F)(F)F)C1 1540891956 CIBUITBCJGVMNJ-GOSISDBHSA-N 436.522 4.910 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CCCN1C(=O)OC(C)(C)C 1542203582 MMJNPPLGHQYHNZ-SBUREZEXSA-N 448.633 4.659 30 10 IJEE CCc1ccc([C@@H](C)C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 1543137197 HXEVRKBXMUVRFB-VGOFRKELSA-N 440.385 4.524 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NCc2ccc(C#N)c(C)c2)c1 1560465690 DIIYKJJCUJQRFB-UHFFFAOYSA-N 435.549 4.703 30 10 IJEE C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1562320290 HVGUHERSQXKDNM-PCECOYNLSA-N 445.972 4.602 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)C(F)(F)F 1562909534 GVPLLQTUNDKEII-SFHVURJKSA-N 445.420 4.968 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)OC)c2ccccc12)c1ccc(Br)cc1 1563162625 JFGXEGLISPKFOY-LJQANCHMSA-N 437.293 4.885 30 10 IJEE C=CCC[C@@H](NC(=O)NCCc1ccc(I)cc1)c1ccccc1 1564397041 WFEXLWHOFSZSET-LJQANCHMSA-N 434.321 4.840 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1 1566487692 OSSTUAVXNAQVBW-JOCHJYFZSA-N 440.588 4.864 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)C1 1570661979 NRCZVQZUMDZPQK-NRFANRHFSA-N 438.593 4.706 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)o1 1584339254 ASVXERCXTFBAQO-JOCHJYFZSA-N 443.547 4.762 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC)C(C)(C)C 1584732854 HAPPHRRRSZVBFX-RSEQLOHWSA-N 432.564 4.652 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccc(CC)cc2)on1)[C@@H](Cc1ccccc1)C(=O)OCC 1585020463 KMPBXNMJJBRCRT-QHCPKHFHSA-N 432.520 4.707 30 10 IJEE C#CCCN(CCOC)C(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 1586966150 WGYUMWVJJIGVSW-UHFFFAOYSA-N 429.541 4.642 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1C1CC1 1587677084 BWWFSDBHZCXRMI-YLJYHZDGSA-N 444.048 4.699 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1587723263 GBCCABJXYHSLQO-UHFFFAOYSA-N 448.640 4.711 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1587723930 WDXLJJSKEGBOCL-LJQANCHMSA-N 442.007 4.535 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC2(CCCCC2)C1 1587783730 VSTJIIRIJXRSIZ-UHFFFAOYSA-N 436.600 4.817 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCCS1 1588451620 BRIUXBNAHVKQTD-HXUWFJFHSA-N 439.412 4.909 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1589317836 VQPQWTWWWHJINZ-BBRMVZONSA-N 446.176 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCCCO1 1589504940 KDCJXEWEUMTATQ-MDKPJZGXSA-N 448.970 4.724 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCC1CC1 1589505650 NIHPUZRHRBTEFU-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccc(F)c1 1589599763 LLBFDFHRBROLCA-VWLOTQADSA-N 444.595 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](C(N)=O)C1 1594460892 GDMNQSOIEQODBC-SFHVURJKSA-N 441.645 4.580 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1594473522 VAMLOUPHNSXQJI-RUZDIDTESA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1N(C)CCCC1(C)C 1594857668 NXMAPGXLDLFBII-XLIONFOSSA-N 432.012 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1cccc(CO)c1 1595162132 WYZKMMHSPXRADI-UHFFFAOYSA-N 436.606 4.725 30 10 IJEE CC(=O)c1ccc(Br)cc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1598349192 ANSQYTAHFGQABD-UHFFFAOYSA-N 444.304 4.518 30 10 IJEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2ccccn2)CC1 1610960622 FYJDIGKYLWXQPQ-UHFFFAOYSA-N 444.583 4.583 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)CN2CCCCC2)c2ccccc2n1 1611933479 GHWYZLJCMSAFJA-CTNGQTDRSA-N 445.615 4.662 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1)C(C)C 1616084380 BQPNAGQSJOZXSL-FCHUYYIVSA-N 441.645 4.990 30 10 IJEE CCO[C@@H](CCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C 1616095393 DNMDQCKZSXDDGZ-QHCPKHFHSA-N 437.588 4.526 30 10 IJEE C#CCn1cc(CNC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)cn1 1618800912 VBTUHWLFAKOGIZ-UHFFFAOYSA-N 433.430 4.755 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H]2C(C)(C)C)ccc1Cl 1623605300 VEYOKUAHTHFANV-NRFANRHFSA-N 447.000 4.982 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H]2CCc3ccc(Cl)cc32)nnc1-c1ccco1 1623654744 PKTDTNVKOLRVQK-KRWDZBQOSA-N 428.945 4.663 30 10 IJEE C=CC1(CC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CN(C(=O)OC(C)(C)C)C1 1626133291 VMQPWYIFWYGWLM-UHFFFAOYSA-N 449.523 4.764 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](C)c3c(Cl)cccc3Cl)ccc2c1=O 1626340933 BAYNLONYNASUJP-GFCCVEGCSA-N 448.375 4.712 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1627113516 DVJWIEZSIMKSBY-QFIPXVFZSA-N 435.568 4.763 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C(F)F)ccc2F)nc1C 1632842489 PAVMHCHUGFALNK-UHFFFAOYSA-N 425.461 4.514 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)N(Cc2ccccc2)c2ccccc21 1634318759 JEQDMXYPCQKHLC-IFMALSPDSA-N 447.579 4.735 30 10 IJEE C=CCCC[C@H](NC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1638029625 MVFBZSPBHMZWLH-BHIFYINESA-N 445.604 4.655 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOc1ccccc1C(C)(C)C 1639755821 UDVAEWGZCYITEB-SFHVURJKSA-N 438.996 4.857 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 1640182426 NJTMSTIZAJPUTQ-OAHLLOKOSA-N 426.330 4.542 30 10 IJEE C#CCCOc1ccc(CN[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 1648906599 RLLSHZRYUCJCFY-QFIPXVFZSA-N 426.516 4.776 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1655359947 CNNSBLASMZOENT-UHFFFAOYSA-N 437.465 4.877 30 10 IJEE C=CCOc1c(Br)cc(CN[C@]2(CO)CC[C@@H](C)c3ccccc32)cc1OC 1657132039 SLPWJHWZMMYBTF-MWTRTKDXSA-N 446.385 4.897 30 10 IJEE C=CCC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 1657968088 OGAGHNQVIKJPOR-IBGZPJMESA-N 433.430 4.800 30 10 IJEE C=CCN(C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)[C@@H](C)COC 1661260909 JUZTXYCCUJJIPP-AWEZNQCLSA-N 445.482 4.785 30 10 IJEE C=CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)[C@H](C)COC 1665560256 MUMFJKIWVQXOMY-UTKZUKDTSA-N 448.032 4.733 30 10 IJEE N#Cc1ccc(N2CCN(Cc3cc(F)ccc3Oc3ccc(F)c(Cl)c3)CC2)cn1 1665594429 FYVIYPUVXQFUNI-UHFFFAOYSA-N 440.881 4.999 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1 1667554727 KTEJBPGJDNGHGQ-UHFFFAOYSA-N 434.467 4.766 30 10 IJEE CC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)c(F)c1 1669151139 MKZHWFFMXMOGGV-UHFFFAOYSA-N 441.506 4.782 30 10 IJEE CN(C[C@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1)C(=O)OC(C)(C)C 1672083530 GUONASNPJHDXSS-QGZVFWFLSA-N 444.576 4.846 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO 1672708928 WXZUPBZTQNYDAN-GOSISDBHSA-N 447.373 4.938 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1ccccc1 1674281629 ULTQSXACYBQWIM-FQEVSTJZSA-N 431.533 4.585 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC2CCOCC2)c(C)c1)c1ccc(Br)cc1 1674678193 NYQHINSDUZGQGC-HXUWFJFHSA-N 443.341 4.811 30 10 IJEE Cc1nsc(N2CCN(C(=O)NCc3ccccc3Sc3ccccc3)CC2)c1C#N 1677272925 CGVJPPIPLWAXFN-UHFFFAOYSA-N 449.605 4.506 30 10 IJEE C#CCC[C@H](O)CNC(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1678716369 PQWSDOLNKMOGRT-KRWDZBQOSA-N 433.371 4.637 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@]1(C)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1679797501 JVIYURUNVZWXLP-KJXAQDMKSA-N 439.353 4.648 30 10 IJEE C#CCN1CCC(NC(=O)N[C@@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1 1680881028 RQGSTLAXPCPBPK-HNNXBMFYSA-N 435.515 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCc1nc(C)cs1 1689839733 LOKPCXWREPKPRD-HNNXBMFYSA-N 431.968 4.983 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1(COC)CCCCC1 1689867281 RHFITZIHOJCGOD-IBGZPJMESA-N 442.629 4.634 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1690068859 DAFNTSFEABUCKX-NFBKMPQASA-N 433.625 4.858 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2cc(Cl)ccc2C1 1690179266 SPDVCRSGTSEBBW-UHFFFAOYSA-N 429.014 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCCN1CCC(C)CC1 1690195614 MPPYPUYHSTUENJ-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC1(SC)CC1 1690195638 NAUPATAKAFLCOB-LJQANCHMSA-N 431.403 4.595 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1690325648 DKYLAMWRJUNFSH-UHFFFAOYSA-N 432.597 4.631 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCCC(C)C)CC1 1690348056 ZSYQQXTZQWMVEL-UHFFFAOYSA-N 438.950 4.931 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1690467516 AFLMQJKGOYQJNW-FQEVSTJZSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC1(CCOC)CCCC1 1690521407 YBKXFOGBBISNMZ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CCc1ccsc1 1690556180 OSVQYRHKAFYJBN-OAQYLSRUSA-N 438.597 4.678 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1690629986 OJTHUHJEKFDVPY-LJQANCHMSA-N 443.345 4.672 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690651386 PSSBUMSZOFQVNQ-QGZVFWFLSA-N 425.360 4.601 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCCCC2)C1 1690736101 STFWGCMIYQQRPC-XZOQPEGZSA-N 439.673 4.804 30 10 IJEE C=CCSCCn1c(N2CC[C@H]3CCN(Cc4ccccc4)[C@H]32)nnc1C(C)(C)C 1690750417 IYGHDDHXSOPXNI-RTWAWAEBSA-N 425.646 4.553 30 10 IJEE COc1ccc([C@H](C)CCn2c(Cc3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1697326888 GXOWOFVFVSFLRG-FQRUVTKNSA-N 444.583 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1nnc(C)s1 1705481456 GPYHEGBHPWYGMN-OAHLLOKOSA-N 440.642 4.526 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2OC)C1 1705512265 XRDUBAPMABLPAN-IBGZPJMESA-N 435.959 4.800 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@](C)(O)C1CCCCC1 1705546448 CSPPTZMOKXSQHS-SANMLTNESA-N 448.567 4.518 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705604329 KDRXJXSNVMERDS-NNMXDRDESA-N 442.579 4.858 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCOC1CCCC1 1705607403 BWLQLODXIDPUKU-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(C)C)CC1 1705610024 ZKNQXZYRVRNVOK-UHFFFAOYSA-N 431.378 4.612 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1705615743 GSPAUZXJPMGOAQ-VWNXMTODSA-N 434.609 4.866 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1705676714 LZLYIMXYQYRXJZ-UXWDXCIHSA-N 447.671 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCOC(C)(C)C 1705694452 BHTMTINPVHDMCA-KNQAVFIVSA-N 438.572 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC(O)(CC)CC 1705711942 HPXVCCPFVMNION-UHFFFAOYSA-N 439.373 4.800 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1nccnc1C 1705720093 WWHJXUBRGVSLID-UHFFFAOYSA-N 443.020 4.967 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1705749177 NIRCYNJRSHFYNG-HXUWFJFHSA-N 426.948 4.827 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCOC[C@@H]2C)CC1 1705777588 HHYBPXCYFWOQQW-FUHWJXTLSA-N 430.980 4.682 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1705885070 GVEFPNPPXSECML-UGKGYDQZSA-N 445.677 4.650 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1706748164 GPUOCHWLNWSOHT-UYAOXDASSA-N 444.624 4.711 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1 1709799367 BKKVFUJLVHMKTD-IBGZPJMESA-N 426.996 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(SC)CCC1 1722499855 MKWBQZRVBZHDBC-UHFFFAOYSA-N 448.036 4.550 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnccn1 1722585987 PILIATQTAGPBCF-UHFFFAOYSA-N 441.377 4.736 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722611854 MNRXTOWXDZUCHR-LJQANCHMSA-N 432.515 4.800 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1722646023 FPPZWIZQPGIWTN-KGLIPLIRSA-N 437.407 4.739 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H]1C)C(C)C 1722664756 HBMFXQOPAPLADP-YZUZCNPQSA-N 432.616 4.750 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)c2ncc(C)s2)C1 1722716953 AHCJMFFWHDMCLN-DYESRHJHSA-N 437.613 4.857 30 10 IJEE CC(C)(Cn1c(Cc2ccccn2)nnc1N(CCC#N)CC1CC1)c1ccccc1F 1723029905 DSVSZFALSSUYDS-UHFFFAOYSA-N 432.547 4.511 30 10 IJEE CSC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H](C)C#N)CCC1 1731055802 DQCZSBUXQZJGNT-CVEARBPZSA-N 434.009 4.953 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCc1nc(C(C)(C)C)cs1 1740555758 BTYULVHVVKSCRY-SFHVURJKSA-N 437.613 4.620 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@H](C)C1 1740559491 PGYFXIMHKYPERH-KSZLIROESA-N 433.021 4.887 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H]1CC=CCC1 1740582277 MGJOODSEYJGINJ-KRWDZBQOSA-N 443.389 4.922 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCC1CCOCC1 1740678412 AWCXHFFDRNURGY-UHFFFAOYSA-N 426.580 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)c1ccc(F)cc1 1740768811 OFGQGLCXOFIUCU-YADARESESA-N 430.568 4.664 30 10 IJEE C=C(C)Cn1c(-c2cccn2C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1740780387 NTLAAOSVUXFSJB-HNNXBMFYSA-N 426.362 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cccs2)CC1 1740845319 KWKKBCZKOAZFAL-UHFFFAOYSA-N 446.624 4.803 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C)C1 1740859390 KWERTFJQJWIODY-ZIAGYGMSSA-N 425.396 4.739 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1740869219 GAAZJAILXLRMLW-MRXNPFEDSA-N 434.466 4.870 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2nccs2)C1 1740975922 RFQOYEACEDUSCR-INIZCTEOSA-N 447.967 4.608 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1740977295 FWAIBDIBCCFIJO-SLFFLAALSA-N 445.489 4.892 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1741003612 YMCLSVBOCOFULG-UZKOGDIHSA-N 442.629 4.687 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1745825890 FJUSWCCFDISBCG-LJQANCHMSA-N 444.583 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H]1CCO[C@@H](C)C1 1748649221 LLBITKBYGPQWQW-HRCADAONSA-N 449.368 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccnc(SC)c1 1748651765 PZZTYELNAYDGBR-INIZCTEOSA-N 437.638 4.899 30 10 IJEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2cccs2)cc1 1748720053 FZSVLTUGJQLDIT-DEOSSOPVSA-N 435.597 4.506 30 10 IJEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC(F)(F)F)cc1 1748720250 HWSYKTDWOQJKFT-NRFANRHFSA-N 435.494 4.544 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1749022962 OGMAFGFVVRBHRW-CQSZACIVSA-N 428.499 4.952 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(C)C)C1 1749135254 DAMJIFZQJALNRE-HWBMXIPRSA-N 438.616 4.753 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749256714 AJUOWUFARBLULQ-SFHVURJKSA-N 429.977 4.603 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2oncc2C1 1749392882 CCLITEQADUIIDS-UHFFFAOYSA-N 437.544 4.648 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1749402507 OXCYVAHPLFVGFF-GOTSBHOMSA-N 429.653 4.824 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749455561 ZBASCPDXIWXUAD-CRAIPNDOSA-N 433.478 4.654 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1cnc2c(Cl)cnn2c1 1749473480 JOUGFZYFLOXRTH-UHFFFAOYSA-N 449.990 4.804 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)c1nccs1)C1CC1 1749508459 RKYBVWHUKKOHMS-HZPDHXFCSA-N 427.549 4.972 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1752748779 FYAPLDRESAYHLB-YADARESESA-N 440.661 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760109273 UIFWZECKABYKAW-DLBZAZTESA-N 445.995 4.702 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccc1OCC 1760173436 VPCGEISIESOJHU-UHFFFAOYSA-N 434.609 4.986 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H](C)CN1CCCCC1 1760298047 TZGSNFWSKIGPAV-AJTFRIOCSA-N 449.643 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1 1760312648 BPLWLXIBOYOBGR-RPWUZVMVSA-N 438.616 4.816 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCCOc2ccc(F)cc2)nnc1C(C)(C)C 1760328157 RKVSBTSXHIXTST-NQIIRXRSSA-N 430.568 4.601 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1760356017 DCCKGAJRSLJGIY-UHFFFAOYSA-N 429.996 4.873 30 10 IJEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1760360987 CUQKPXBHAFJVMV-NZQKXSOJSA-N 440.588 4.617 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCSCC)CC1 1760387402 MMLGAWSQPVDMKP-LJQANCHMSA-N 449.665 4.692 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCCC[C@H]2C)CC1 1760390297 CGTFVVWUDBLFDK-OAQYLSRUSA-N 425.596 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2CCOC2)CC1 1760413692 QCXXLDBXVVESAL-QFIPXVFZSA-N 438.616 4.733 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1760429829 QYJRYIRPBNWONX-UHFFFAOYSA-N 441.645 4.540 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1760437626 JHZDEIXWFNWEAZ-QHCPKHFHSA-N 435.547 4.704 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCC1CCN(CC)CC1 1760478519 KSDKGFVTWQBMNF-UHFFFAOYSA-N 434.632 4.762 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)[C@@H](C)CC 1760482593 ZHKAXQMRJCZNSP-UUOWRZLLSA-N 439.991 4.983 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](OCCC)CC2)cc1 1760529467 HKVRGWYKCCYKIW-JOCHJYFZSA-N 449.599 4.682 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1760568538 LRZZSGLWHPFRMU-QGZVFWFLSA-N 426.508 4.704 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccccn1 1761363342 FQKLTQVRWYIXNR-HNNXBMFYSA-N 445.354 4.540 30 10 IJEE COc1ccccc1C=NN=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccco1 1772757714 SCRWRRZHQZYACR-PFZYSIKNSA-N 435.480 4.934 30 10 IJEE COc1ccc(C(=O)C[C@@H]2SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1 1772760148 UZLVCWDOJRQVCX-QFIPXVFZSA-N 448.500 4.516 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(C(=O)Nc3ccc(F)c(Cl)c3)n3ccccc23)c1 1858242360 XNNSKZLROJYFDH-UHFFFAOYSA-N 433.830 4.503 30 10 IJEE O=C(/C=C/c1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1860635044 PFLXTAHNGFDWMT-FOCLMDBBSA-N 444.962 4.856 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(Cl)c1 1862380395 BLOVTOBYLPNZBQ-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 1862474269 LURYBDVNXHWQNL-QFIPXVFZSA-N 425.500 4.919 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(F)c2)c1 1862488852 JREJPZXZEZQRQF-JOCHJYFZSA-N 425.500 4.836 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccccc2C(=O)O)cc1 1862519883 VORHRMLEMXZXKZ-YCRPNKLZSA-N 437.492 4.550 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1C(=O)O 1862546074 PDAGJDODYUXUEQ-JOCHJYFZSA-N 433.504 4.642 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2c(c1)CCCN2C 1862554168 WVKRSEJIDKXVNT-RUZDIDTESA-N 444.575 4.936 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 1862583624 GIROLALTYSVXKE-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870140919 QHVDEADQDHOJPP-QHHAFSJGSA-N 436.661 4.890 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1870150191 CBFWZAXZIJGYOG-UHFFFAOYSA-N 439.319 4.737 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1870156838 FGOCWPQUNWQVTI-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CNc1cccc(C)c1 1870824037 PGOSPOCAIAOOOC-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871200943 WTUGNZHRFMLBNT-UHFFFAOYSA-N 426.557 4.666 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 1871390518 ACVXLKACTNSNHQ-HMAPJEAMSA-N 429.428 4.623 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871453729 ONGBLFNMUDTARU-FMCGGJTJSA-N 443.455 4.666 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871458337 BDQOTOGYHPCUMM-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871987683 JLBVGUQCBZVKJY-YWZLYKJASA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872441781 SRPBQYOYDGVHGO-JTSKRJEESA-N 432.561 4.754 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)Cc1cccc2ccccc12 1873675977 ZDMQEYXGEZAFBJ-UHFFFAOYSA-N 439.540 4.548 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCCO)n1/N=C/c1cccc(Cl)c1 1874251371 ZOAKQCASLBOTSB-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874358039 LPJVPQJXPHRKNC-ZVHZXABRSA-N 440.569 4.506 30 10 IJEE CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874366284 CGNPSRAOBBSTGP-WSDLNYQXSA-N 432.933 4.619 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)ccc1O 1874426623 QTZXTABWCJHWSO-AFUMVMLFSA-N 434.496 4.973 30 10 IJEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 1874437346 WOZFKPZKNPXUOV-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(C)cc1 1874480234 OIFKMQIFDJNSLO-PTFSYIGCSA-N 435.597 4.781 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C/c2cc(Br)ccc2O)c1 1874531765 ZXRAIPNAAOUIPN-UFFVCSGVSA-N 431.359 4.846 30 10 IJEE CCc1ccc(OCCCc2nnc(S)n2/N=C/c2c(O)ccc3ccccc23)cc1 1874568331 SJHZDKNDHGIZGM-PCLIKHOPSA-N 432.549 4.882 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(N)=O)cc1C(C)C 1874584777 AELMASWGAIHVOG-VOTSOKGWSA-N 431.916 4.549 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cnc(C)cn1 1874712699 MBFQQDWOBBTBIV-RMKNXTFCSA-N 432.476 4.534 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(C)c2)CSc2nnc(COC)n21 1874865113 KSIOODBNIVARGD-IBGZPJMESA-N 434.581 4.934 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)c1 1875098706 INGFMVLMBQYZKA-YRNVUSSQSA-N 448.471 4.836 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912145089 ZFKUFERYKLVPEF-SFTDATJTSA-N 434.541 4.607 30 10 IJEE C#Cc1ccccc1CNCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1961266770 HUNCRSHBDKILIK-UHFFFAOYSA-N 426.516 4.618 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C)O1 2004943854 GHLFSDCRYLSYNI-XXTHSBEZSA-N 432.605 4.588 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CN(Cc2ccccc2)[C@]2(CCOC2)C1 2038664249 BRXGZBPQSRDEJC-CLJLJLNGSA-N 439.600 4.884 30 10 IJEE COc1cc(C=CC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cc(Cl)c1O 2040500995 SZFXPASVUFDQDL-UHFFFAOYSA-N 437.805 4.858 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2cc(Br)c(O)c(OC)c2)cc1Cl 2040967986 HXEPKUDVVUCKSK-UHFFFAOYSA-N 427.678 4.730 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2ccc(Br)cc2Cl)C1 2063051563 DEHHNUYGGFCGAT-INIZCTEOSA-N 430.770 4.867 30 10 IJEE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079987744 WHWIEYLEFNRXBP-LJQANCHMSA-N 447.320 4.949 30 10 IJEE CCCOc1ccc([C@@H](CC)n2nc(CC)c(C=NO)c2I)cc1 2080127409 UNCHIDSDVOQYAP-QGZVFWFLSA-N 441.313 4.646 30 10 IJEE CC[C@@H](C)[C@H]1CSC(=Nc2cc(I)ccc2Br)N1 2081318710 GLCMQMHHWAQMTE-PRHODGIISA-N 439.160 4.792 30 10 IJEE C=CCC(C)(C)OC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2130730858 GJESINMPCPTWOO-MRXNPFEDSA-N 426.351 4.783 30 10 IJEE CN(CCc1ccc(Nc2ncc(Br)cc2C#N)cc1)C(=O)OC(C)(C)C 2162303617 VSCPRLXOKAVPLS-UHFFFAOYSA-N 431.334 4.869 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2174766505 XDBSGOGZEUJFKN-QEJZJMRPSA-N 438.341 4.684 30 10 IJEE C[C@@H]1CCCN(c2ncc(Br)cc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174807907 IBJICIBYYBHPJU-PBHICJAKSA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CN(c1cc(Br)c(C#N)cc1F)C2 2174811143 URVWTOQLHMXHMA-VLIAUNLRSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(c3ccc(C#N)c(Br)c3F)C[C@H]2C1 2174813043 RFTKHIFLSLKECC-ZFWWWQNUSA-N 438.341 4.543 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174814704 KOBFXINPBNHGPT-CABCVRRESA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@](Oc2nc(Cl)c(C#N)s2)(C(F)(F)F)CC1 2190572378 WGPUYPGPRZAPQA-AZKDTHOKSA-N 425.860 4.815 30 10 IJEE C[C@H]1[C@H](C(=O)Nc2cc(Br)ccc2C#N)[C@H](C)CCN1C(=O)OC(C)(C)C 2200684435 CMRVTRDAAWKPMR-IIYDPXPESA-N 436.350 4.541 30 10 IJEE C=C(c1ccccc1)[C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237402977 PVNLCJYBEQXDQI-PMACEKPBSA-N 431.374 4.926 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2247977656 AZZANYGJYSPXCT-YWZLYKJASA-N 449.514 4.961 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1c(F)c(F)c(Br)c(F)c1F 2256029072 WIFSJZOTOKESMD-SSDOTTSWSA-N 426.204 4.658 30 10 IJEE O[C@H](C#Cc1cccc(Br)c1)c1cc(Cl)ccc1I 2278803901 UIIBXQHKXLRIQI-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@H](O)C#CC1CCCCC1 2289615746 HYAXIVWOVSXHIA-WOJBJXKFSA-N 436.390 4.830 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2296289918 XBNCMPMEQYJKEN-QAPCUYQASA-N 449.311 4.624 30 10 IJEE CCCCCOc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 2297744778 MXVBZEWVZMWVOH-OAQYLSRUSA-N 436.464 4.771 30 10 IJEE C[C@@](N)(C#N)CCCCSc1cc(I)ccc1Br 2316463509 RAEDUOXGRZNQFG-ZDUSSCGKSA-N 439.160 4.557 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccccc1C(F)(F)F 2318571125 CQSNSTKGKFDZBS-UHFFFAOYSA-N 448.470 4.820 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc(Br)c1O 2321068689 RCJNYVDMUWNXQX-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 2321936937 MNMNSZACFIGFGB-UHFFFAOYSA-N 446.434 4.745 30 10 IJEE COc1cccc(CCc2nnc(S)n2N=Cc2cccc(OCc3ccccc3)c2)c1 2322071847 XMMDSTDMCCOPHW-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)N1CCC(Cc2ccccc2)CC1 2323248322 BNFHXLJSCGCTKJ-UHFFFAOYSA-N 430.317 4.652 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC 2323975030 NHJXHPNQEMFRSD-UHFFFAOYSA-N 433.907 4.987 30 10 IJEE COc1cc2c(cc1OC)CN(Cc1c(O)ccc3c1OC(=Cc1ccccc1)C3=O)CC2 2324210940 GKDXXSHXYGKVFV-UHFFFAOYSA-N 443.499 4.584 30 10 IJEE COc1ccccc1CNC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325269230 FCHZHHQMEYWQEZ-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2325589460 GZCHBTXXWAQJEQ-UHFFFAOYSA-N 435.431 4.942 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCSC)c2)c(OC)c1 2325761017 AFVZZQJYTAFBBG-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc2c(c1)OCCO2 2326561699 NIKFUDYBEDQJQT-UHFFFAOYSA-N 430.533 4.592 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2327109058 OROCSZMKPDGPKR-UHFFFAOYSA-N 437.525 4.667 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccc1[N+](=O)[O-] 2327458155 PKQHTEATUGWWFQ-UHFFFAOYSA-N 445.451 4.594 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccccn1 2328677671 WNKNVLDKTACWAG-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1cc(OC)ccc1OC 2329485103 ZSFCIMWIPJLCST-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1N=Cc1ccc(OCc2ccccc2C)cc1 2331279620 WBIRRWAVHVLLEQ-UHFFFAOYSA-N 436.581 4.905 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)(C)C)cc1 2331376066 GWQNQIXTVFSVGN-UHFFFAOYSA-N 439.560 4.890 30 10 IJEE COc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(C)(C)C 2331385107 DOJCVFMNFUNLIK-UHFFFAOYSA-N 425.514 4.667 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)cc2)c(OC)c1OC 2331885370 STZSLORPHQPSAZ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE C=CCC1(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339586413 FNLACQZATFVZIL-UHFFFAOYSA-N 441.381 4.704 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339593359 DZEVRGHINRLKIA-QGUQWCRPSA-N 443.397 4.641 30 10 IJEE C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339597001 NMULOZONYBUAAC-MJGOQNOKSA-N 444.381 4.751 30 10 IJEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339597379 QIDGELOSBOQWDG-JKIKYLSZSA-N 443.397 4.562 30 10 IJEE CC(C)[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2341314687 KWECWINWRRLKRW-JKIKYLSZSA-N 446.397 4.997 30 10 IJEE O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccccc1Br 13302101 ZFOYUVZTOGUROW-CLCOLTQESA-N 426.701 4.900 30 10 IJEE CC(=O)c1c(C)[nH]c(C(=O)/C(=C(\S)Nc2ccccc2C)[n+]2ccc(N(C)C)cc2)c1C 28695922 WAPBSIUZYVHHNS-UHFFFAOYSA-O 449.600 4.547 30 10 IJEE COc1ccc(OC)c(/C=C2/Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)c1 34688270 YMFMIBLQCPOZPG-IBLYNJMYSA-N 428.440 4.939 30 10 IJEE N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)c3c(F)cccc3F)c2)C1=O 34735414 PGNYAPBGGUALGD-UHFFFAOYSA-N 446.457 4.921 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 34954436 VWYGCLMGVCPBNY-ACAGNQJTSA-N 433.416 4.727 30 10 IJEE Cc1cccc(/N=C2/S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2c2ccccc2)n1 39863570 OXEDTJAOBJOOOL-CJQHRACESA-N 426.501 4.545 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)cc1OC 41292043 TYONVFMKFRRGGR-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE Cc1cc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc([N+](=O)[O-])c1C 59249881 BVFNYFVFGYLVFY-BHGWPJFGSA-N 435.436 4.766 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1cc(F)ccc1F 78605661 XERWQVBAKNJMRB-ZDUSSCGKSA-N 433.455 4.824 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccc(C)c1 169973028 QOZWQHPYCFIZIE-JOCHJYFZSA-N 439.471 4.663 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2cccnc2)s1 170005173 FMXLJKDVOAZEHP-KRWDZBQOSA-N 443.887 4.730 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccco2)cc1 170098531 RMCFYIVUERILGN-OAQYLSRUSA-N 443.459 4.646 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)c1 170169176 RGZPKYXEHCRFAL-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC)cc1 170216241 RGMXQOWPUXDEKK-IBGZPJMESA-N 428.554 4.927 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)c1 170296390 NAQAAJQOVIWFAH-QFIPXVFZSA-N 429.428 4.813 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2ccc(C)o2)c1 170300380 LNWTZHRCLKFZSM-HSZRJFAPSA-N 444.487 4.508 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OCCCO)c1 170325350 ASFBMYQLRGDCLU-XMMPIXPASA-N 445.515 4.589 30 10 IJEE N#C[C@H](C(=O)c1cc(Br)ccc1I)c1ccccc1F 236174045 GPAHTWBZBUQMIK-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])c(C#N)n2)nc2sc(-c3ccccc3)cc2c1=O 302688560 BSUAXJNCKBZXEX-UHFFFAOYSA-N 447.501 4.637 30 10 IJEE Cc1csc(-c2ccc(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc2)n1 446143082 FRGBXDABZOSYOT-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)c(OC)c1 526520648 IVVRSTAZFGBWFH-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2cc(C)ccc2C)cc1OC 526818528 NLMKPVWHLZZOLZ-CFRMEGHHSA-N 440.569 4.794 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N4CCC(C)(C#N)CC4)n3C[C@H]3CCCCO3)cc2C1 550030602 AKIFMYOBFRIQDO-PKOBYXMFSA-N 439.629 4.831 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 555240209 DUVYIIQNIVWLEL-CGBRIMPHSA-N 447.627 4.553 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCOC2)CC1 555518997 BALQFDUDONRYML-HNNXBMFYSA-N 441.988 4.980 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccc(OC)cc1OC 670195793 ROHIGFXRCUUXMM-UPVQGACJSA-N 448.567 4.753 30 10 IJEE N#Cc1cc(Cl)ncc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687755343 DYHFYCBIFWPOQX-OAQYLSRUSA-N 447.878 4.661 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](Sc2ccccc2)C(C)C)n1 727164454 PCHKTUIGWKIINL-QGZVFWFLSA-N 445.639 4.556 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)nc1C 749401764 VCCWPJGCUREJBE-UHFFFAOYSA-N 448.936 4.711 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1)c1ccccc1 757057347 GLMOILQKKTWUJZ-JWQCQUIFSA-N 425.532 4.508 30 10 IJEE C=CCn1c(SCC(=O)OCc2ccc(C)nc2C)nnc1-c1ccc(Cl)cc1 771852198 GHTNBPRHJVDCSW-UHFFFAOYSA-N 428.945 4.632 30 10 IJEE CC(C)c1ccc(N2Cc3ccc(NC(=O)N4CCN(C5CC5)[C@H](C#N)C4)cc3C2)cc1 772584942 DWHIWNQZBGPQFF-RUZDIDTESA-N 429.568 4.534 30 10 IJEE CC1(C#N)CCN(Cn2nc(Cc3cccs3)n(CCc3ccccc3)c2=S)CC1 779878313 GFFZGGYVCMYOAB-UHFFFAOYSA-N 437.638 4.892 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1=S 797418418 SIVXCTCYPSQVJK-PNLZDCPESA-N 449.020 4.536 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1occc1C(=O)OC 804460042 SHKQGNMUDVNGFZ-IBGZPJMESA-N 433.529 4.723 30 10 IJEE N#Cc1ccccc1N=c1scc(-c2ccc3nc(O)oc3c2)n1Cc1ccccn1 917647328 HKBXDNFBWISYSW-UHFFFAOYSA-N 425.473 4.611 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccco2)n1)N(c1ccccc1)c1ccccc1 1084323690 RASQOAIWQVJPSH-UHFFFAOYSA-N 432.509 4.691 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCC(c2nnc(-c3cccc4cccnc34)o2)CC1 1117229648 CUJOSOVHPQLEKK-UHFFFAOYSA-N 438.447 4.788 30 10 IJEE Cc1nc(C)c(-c2csc(NC(=O)COc3ccc(C#N)c(Br)c3)n2)s1 1125068005 HORVEWWYUKWKDO-UHFFFAOYSA-N 449.355 4.535 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)CCCN1C(=O)OC(C)(C)C 1125953743 UDKCOJJHIAMXQY-XMMPIXPASA-N 439.487 4.745 30 10 IJEE Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(F)c2)cc1C 1126947761 BOOMVYUCGMHISU-FQEVSTJZSA-N 437.515 4.695 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2COCc2ccccc2)CC1 1131866590 FSVMTRDKOZAUSA-UHFFFAOYSA-N 425.532 4.674 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1N1CCCC1 1142900488 MFKLVYLWHNRZAM-VABKMULXSA-N 441.616 4.504 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCC(=O)c1ccc(I)cc1 1161580045 CDHOTUNOBYHRRA-IBGZPJMESA-N 447.316 4.558 30 10 IJEE Cc1c(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)sc2ccc(C#N)cc12 1184873062 DRELFLMCYCQROE-UHFFFAOYSA-N 425.579 4.502 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C)N2CCC(C)CC2)cc1OCC 1199851670 SROMOCQFWLHRRW-QGZVFWFLSA-N 425.411 4.623 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCc3ccccc3OC2)cc1OCC 1202151092 PLGXNWMUVKDQGR-SFHVURJKSA-N 432.358 4.896 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c(Cl)c1 1209898446 ZJELVSMLEIOZNC-LJQANCHMSA-N 443.931 4.717 30 10 IJEE Cc1cc(C#N)cc(NC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 1219113125 HHQOEIGCIJOVJG-UHFFFAOYSA-N 441.329 4.512 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC 1219716953 BGLACQITDCPLEK-UHFFFAOYSA-N 432.524 4.550 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(F)c(F)c1 1222254780 SEBGPAFQOSHRQJ-UYAOXDASSA-N 433.886 4.730 30 10 IJEE C=CC[C@@H](NC(=O)NCc1cc(C(F)(F)F)ccc1Br)c1ccncc1 1228097918 PNJPKZDVAMHGMW-MRXNPFEDSA-N 428.252 4.980 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1246654826 RVTNULVMFABTAK-VQTJNVASSA-N 445.485 4.903 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C1(c2ccc(I)cc2)CC1 1264868713 VKFDCHWMYKOHCN-UHFFFAOYSA-N 431.317 4.580 30 10 IJEE Cc1ccc(C2=NO[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)cc1 1264920524 CGAVXCWRZXZLSV-DEOSSOPVSA-N 429.451 4.717 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2S[C@@H](C)C(=O)OC)cc1 1269745025 LLIZAPKSNGQNOE-INIZCTEOSA-N 427.522 4.602 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OCCC(C)C)c(F)c2)CCCN1C(=O)OC(C)(C)C 1277568582 MNSAFBHRWVHZCJ-DEOSSOPVSA-N 432.536 4.982 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C 1286434059 DGGJAMUSAWJZHX-FQEVSTJZSA-N 441.620 4.639 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1286440807 ALZURPNVFVYOJR-AVRDEDQJSA-N 437.588 4.688 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1286507900 GPKGKSQHHVYEAG-UHFFFAOYSA-N 444.595 4.836 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC=C(Br)C1 1286591194 DIHYFEGKKCLEEH-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)OC(C)(C)C1 1286600604 ORWACDICHVYXHI-PZJWPPBQSA-N 442.604 4.631 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1286704141 ZXULCKKKRBJFBD-NRFANRHFSA-N 437.632 4.869 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1286711781 SLCTWJIPKHBYTH-QHCPKHFHSA-N 433.556 4.591 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1288364158 KAJDFGAJNODZJU-JOCHJYFZSA-N 444.572 4.828 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)cc1 1292503037 CYEOZMOKUAXCBM-ATIYNZHBSA-N 434.632 4.758 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1300345077 NONDPACSDMIROO-UHFFFAOYSA-N 428.024 4.960 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@](C)(O)c1ccsc1 1300787875 PESHAWDYXAJMLP-NQHRYMMQSA-N 434.609 4.781 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OCC)cc1 1300877094 UKLLYHJOHKFWNX-NFBKMPQASA-N 436.556 4.863 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1301041067 JQKWUVSTCFEZQV-IRXDYDNUSA-N 436.025 4.889 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1CCOC1 1301138898 GMTKDXRICBQFQT-HNNXBMFYSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C#N)C1 1301160493 SXQJJDSARUJHME-HXUWFJFHSA-N 437.588 4.620 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(C)C)C1)c1ccccc1 1301166189 QSXRYSXOPZGNQC-PKTZIBPZSA-N 435.616 4.633 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1301209233 PFQHDYHNHWPEKI-OAHLLOKOSA-N 429.874 4.507 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301231032 APRADZHUQGAWLF-MJGOQNOKSA-N 438.494 4.596 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC=CO1 1301374550 BEDWAHFLGSKADH-KRWDZBQOSA-N 445.361 4.587 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1[C@H]1C[C@H](c2ccccc2C)C1 1301401964 IJMVNZMQWNQEAJ-MEMLXQNLSA-N 447.583 4.672 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)CN(C)c3ccccc32)n(-c2cccc(F)c2)c1C 1307534240 ABMDHFFPPVNCPA-KRWDZBQOSA-N 445.542 4.636 30 10 IJEE C=C(C)COc1cc(CNCCc2cn3cc(Br)cc(C)c3n2)ccc1OC 1308365722 PPWPTCIDWWYKJO-UHFFFAOYSA-N 444.373 4.701 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(F)c(I)c1 1351336115 MANZFFPTEOPQMY-UHFFFAOYSA-N 435.689 4.974 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@@H](COC)C1 1358910847 DAEAGSJMMNNJCJ-HXUWFJFHSA-N 433.556 4.657 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCSC 1359052086 UKHRCTJYAFTWHF-UHFFFAOYSA-N 429.442 4.808 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(c2ccsc2)CC1 1359059051 ZEWPZKMATBIGOB-UHFFFAOYSA-N 436.650 4.989 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@H](c1c(F)cccc1F)N(C)C 1359072479 FOFOWPWJLYJLCK-PXDATVDWSA-N 441.570 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CCCCC1 1359110622 VDCHSCDFGHEQNT-UHFFFAOYSA-N 430.600 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(CN2CCCCC2)cc1 1359113046 YNVPSDAISUQMQU-XMMPIXPASA-N 437.632 4.956 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359119377 PIALHXVRTVCCLK-NRFANRHFSA-N 439.604 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1359161871 UJQKJPSEVUYNDC-UHFFFAOYSA-N 430.600 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1359186013 QSXCJDHLGAJARY-WTPASJBYSA-N 439.629 4.821 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1359222770 RRAFFXGATTUBEY-APWZRJJASA-N 448.409 4.787 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1N(C)CCCC1(C)C 1359258707 ZOEVFIFPTHEQRU-XZOQPEGZSA-N 437.632 4.833 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](C)C1)C(C)C 1359264315 BCMWAXSMBQKOSM-SVFBPWRDSA-N 443.039 4.784 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCCc1nc2ccccc2[nH]1 1359268867 GIBJKSULHADMMX-UHFFFAOYSA-N 433.947 4.681 30 10 IJEE CC(C)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N)c1cccnc1 1359664359 DIMXTROLEIFJTP-XXBNENTESA-N 441.583 4.923 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)C1 1359880058 CAPQAORZRHPWHH-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(Cl)c3c(c2)OCCO3)s1 1440285782 QYKAVNLDKNZMKM-UHFFFAOYSA-N 431.366 4.902 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](F)C1 1449895080 RNKGPNUGRWHPBY-AOMKIAJQSA-N 442.918 4.607 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)CCCN1C(=O)OC(C)(C)C 1459523570 PKTSHWWWBJMKOJ-AREMUKBSSA-N 449.551 4.797 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1461048558 PPFCWWBBBOHNLC-QANKJYHBSA-N 443.371 4.609 30 10 IJEE COC(=O)CCSc1cc(Cl)ccc1NC(=O)CSCc1ccc(C#N)cc1 1462079588 DQKYATMWULJSAI-UHFFFAOYSA-N 434.970 4.739 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1 1462974168 JLCFQCSYUIVPCF-FQEVSTJZSA-N 448.563 4.823 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1463914096 WYTBOTSTXPPKQS-MRXNPFEDSA-N 439.478 4.551 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1470667835 TULANUAYNYJYHA-WMZHIEFXSA-N 449.954 4.729 30 10 IJEE N#Cc1ccc(Br)cc1OCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 1473040777 GIPOHYOGCJBTGI-NRFANRHFSA-N 435.321 4.800 30 10 IJEE C#CCN(C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@@H]1CCCc2ccccc21 1473825667 BUKWBIIIGDKDHU-LADGPHEKSA-N 438.612 4.805 30 10 IJEE C#CCN(Cc1cc(OC)c(OC)cc1F)[C@H]1CCOc2ccc(Br)cc21 1474386141 NFMHLUSHHVRFQR-SFHVURJKSA-N 434.305 4.564 30 10 IJEE O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N[C@@H]1CCCC[C@H]1F 1476861863 GIAQVXDFVUWCRZ-ZIAGYGMSSA-N 432.336 4.971 30 10 IJEE COc1ccc([C@H](Cc2ccccc2C)NC(=O)Nc2cc(C)c(C#N)cn2)cc1OC 1476943560 DQZANNLCSQUMGC-NRFANRHFSA-N 430.508 4.693 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)s1 1498007813 BJSBDDBECDDQCB-IBGZPJMESA-N 448.640 4.658 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC(C)(C)C)cc1OC 1504186685 BTIQTKVVESOADX-XMMPIXPASA-N 425.577 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)CC)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1507514303 COOASPUMRQGSMT-MSOLQXFVSA-N 425.577 4.839 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCSC1 1507520464 ZUJRHMVBLITYAC-WIYYLYMNSA-N 433.625 4.954 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1507555946 GHWCDOIIOGFBEE-QFIPXVFZSA-N 449.002 4.902 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)SC 1507643585 WYDSYWNKXUUDBX-ROUUACIJSA-N 431.005 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1507676786 PSWOMMARNJCPLZ-OAQYLSRUSA-N 440.538 4.844 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1507835492 CEPDJYMNJUTZHC-FQEVSTJZSA-N 439.604 4.612 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1507848384 XLZCYBYWJVPLLO-XZOQPEGZSA-N 438.616 4.681 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccoc1C)c1ccccc1 1507850332 HFMJYTOGXFPIHX-UHFFFAOYSA-N 447.564 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1)Cc1ccco1 1507910043 DFSVQOTYGDZDDV-UHFFFAOYSA-N 447.583 4.916 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)CC)C1 1508119285 VRDFYRXUZZLCBK-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1508158781 JCFMSYRRWOLSIZ-NRFANRHFSA-N 430.593 4.554 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1508165537 UQHPOWRXMAYSGE-LJQANCHMSA-N 445.702 4.875 30 10 IJEE CCOC1CC(CCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@@H](C)CC#N)C1 1516361496 ICQNGSSODDQZHF-HJOIGYKYSA-N 431.968 4.551 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1)C(C)(C)C 1519874608 BHKYJKJBXDNOOH-BBTUJRGHSA-N 441.645 4.989 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)Nc1cccc2ccccc12 1520030832 CZOXXMWGCFEMOD-UHFFFAOYSA-N 428.410 4.792 30 10 IJEE C=C[C@H](CC)CC(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(C)cc1 1523811378 KARZZLYMQJPLQR-DCLXLUIPSA-N 429.582 4.891 30 10 IJEE C=CCOc1ccc(CC(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 1529301747 TXFCQIDBMJKGPS-UHFFFAOYSA-N 427.500 4.598 30 10 IJEE C=CCCO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1cc(OC)cc(OC)c1)CCCC2 1529763497 CZPRMBNAWBTNGM-HNNXBMFYSA-N 443.565 4.795 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 1531575277 MVMKCDPSPDLKSX-UHFFFAOYSA-N 428.414 4.734 30 10 IJEE C=C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccc1 1532388188 VCKPSHOXKLTXOF-XMMPIXPASA-N 435.545 4.711 30 10 IJEE C=CC1(CC(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CCCCC1 1535004892 YETSKKZLMMHFLE-UHFFFAOYSA-N 428.577 4.604 30 10 IJEE Cc1cc(-c2csc(NC(=O)COc3ccc(C#N)c(Br)c3)n2)ccc1F 1535013823 DDJTWJIUKFMAAN-UHFFFAOYSA-N 446.301 4.909 30 10 IJEE C=CCOc1ccc(CC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)cc1 1538814015 KXXIYQFYGAZXTR-UHFFFAOYSA-N 429.495 4.873 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1539686488 YDRWRVYPFOCODR-IEBWSBKVSA-N 429.996 4.696 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1539758533 OHSQLRPAWMLBEL-QFIPXVFZSA-N 426.580 4.812 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccnc(N2CCCCC2)c1 1540182061 HQDAINQLZUYSKZ-UHFFFAOYSA-N 448.615 4.837 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC)(CC)C1 1540913461 NELJZFREJHBCGR-UHFFFAOYSA-N 438.601 4.530 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(COc2ccccc2F)nnc1N(C)[C@H](C)CC#N 1541817816 AQEXOHQZRPYSHY-IAGOWNOFSA-N 427.549 4.675 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(C(=O)OC)nc1)c1ccc(C)c(C)c1 1543117911 SCUJUUCJWGXBAS-UHFFFAOYSA-N 444.531 4.826 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 1543196700 BOXSLZSUOPNWEH-HXUWFJFHSA-N 434.542 4.609 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3sc(-c4ccccc4)nc3C)n[nH]2)c1C 1543771997 XYIBBSMCVBRTBO-OAHLLOKOSA-N 446.580 4.999 30 10 IJEE C#CCN(CC1CC1)C(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1545860632 YQTHZMLNARZXEM-SANMLTNESA-N 444.575 4.908 30 10 IJEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCC(F)(F)C1 1554230338 BSWFQRYUGXMLCN-PMACEKPBSA-N 443.542 4.895 30 10 IJEE CSCc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)c1 1555890170 AZMICDFKRDVFGD-NRFANRHFSA-N 425.602 4.561 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(Oc2ccc(F)cc2)n1 1557373081 YQXIGIGRDIRPNI-UHFFFAOYSA-N 444.466 4.694 30 10 IJEE C=CC[C@]1(C(=O)Nc2n[nH]c(-c3ccccc3OC)c2C)CCCN1C(=O)OC(C)(C)C 1558797087 LUHKWBDPVQRYPU-XMMPIXPASA-N 440.544 4.678 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)[C@H]1CCCc2ccccc21 1563413961 ZHFDGSPNAGFYAF-SVBPBHIXSA-N 445.607 4.945 30 10 IJEE C=CCC1(NC(=O)N[C@@H](C)CCc2ccc(I)cc2)CCCC1 1564690191 WRPVOCAVAKYRDU-HNNXBMFYSA-N 426.342 4.800 30 10 IJEE C#CC[C@]1(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1583689488 JRUWMJOPAXBZTJ-HTAPYJJXSA-N 436.474 4.862 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCOc3cc(F)c(Br)cc32)cc1OC 1583826417 BJODVJOBROLRDG-FNORWQNLSA-N 448.288 4.600 30 10 IJEE C/C(=C/C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 1585483954 KNOZQAQQFJZDJG-SQFISAMPSA-N 429.442 4.882 30 10 IJEE CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1586933434 AOXCBZPYFJPBPC-LSWJPFSZSA-N 435.955 4.749 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 1587661404 OVSFARSBFFXXNJ-SJLPKXTDSA-N 443.371 4.746 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1587738972 MVNMZLGEGPPILF-DHIUTWEWSA-N 431.584 4.937 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1587739047 OUTMRMZDJYMCLR-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CC(C)(C)c1cccs1 1588020468 OGHVWZWYHRCQBM-UHFFFAOYSA-N 426.611 4.688 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N 1588984869 LCIUVXDZAHKPJZ-ZWKOTPCHSA-N 446.020 4.793 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C)C1 1593711967 NKQOBEZRIHEYGB-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1594511167 KOVVSFYQDIZXSA-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1594536402 YAQNPLRZBMJHLY-GGAORHGYSA-N 437.632 4.846 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN(C2CCCCC2)CC1)c1ccccc1 1594553422 ZYTVPUOKNYKSEQ-QHCPKHFHSA-N 437.632 4.629 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(F)F)CC1 1594583005 WXJGYAHPWNCZBC-QGZVFWFLSA-N 449.615 4.875 30 10 IJEE C=CCCCCn1c(N2CCc3cc(OC)c(OC)c(OC)c3CC2)nnc1C(C)(C)C 1594661844 XYYZBZAXGBRWSQ-UHFFFAOYSA-N 442.604 4.563 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1 1594662006 YZLREHJMAPFZAQ-FQEVSTJZSA-N 440.592 4.738 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCOC1)C1CC1 1595065248 LITNOBBLZBTUAB-OAHLLOKOSA-N 437.371 4.745 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CCOC(C)(C)C 1595076305 ZWGXGSRFCRMKRX-OAQYLSRUSA-N 428.577 4.536 30 10 IJEE CCN1CCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1615819666 DUUOBDQDBFAZGG-HKUYNNGSSA-N 447.052 4.837 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)C(=O)OCC 1624252191 SQVGJLLBYJEKCF-HXUWFJFHSA-N 436.335 4.652 30 10 IJEE CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1626676856 IBGGCWTWMAUMDF-PMACEKPBSA-N 432.351 4.560 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1c(Nc2ccc3c(c2)CCCC3)cc(C)nc1O 1629274269 DTWYSEQFTQUCNY-UHFFFAOYSA-N 441.531 4.660 30 10 IJEE CC[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccn1 1630355993 GDDBIIZKCLZJKC-HXUWFJFHSA-N 430.533 4.565 30 10 IJEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)c1ccccc1 1630869157 ILAQUVSXEUZVKR-XMMPIXPASA-N 432.545 4.599 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 1634131216 IOUBFBCBVMGDBF-UHFFFAOYSA-N 436.936 4.756 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)CCCCC1 1635576090 HBDNMZOJAZWPPO-UHFFFAOYSA-N 448.972 4.855 30 10 IJEE C#C[C@](C)(CC)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1636941290 OVLYSWRIEVOHJU-HSZRJFAPSA-N 436.353 4.762 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1)C1CCOCC1 1637127131 AXCIUTAONBMCGT-JTSKRJEESA-N 431.001 4.973 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(Cl)c1 1637707281 CIPUOFFQLCGDFS-MRXNPFEDSA-N 427.234 4.680 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2cc(F)ccc2Oc2cccc(Cl)c2)C1 1638397696 LMWGYBVCSMVBHR-HXUWFJFHSA-N 429.923 4.510 30 10 IJEE C=CCn1c(SCc2cc(C#N)ccc2OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640556693 YEQFEIWYDIDWJQ-CQSZACIVSA-N 437.590 4.941 30 10 IJEE C=CCn1c(S[C@H]([C@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CCCCC3 1640569095 UJOJRPNVZXFEBG-BLLLJJGKSA-N 444.544 4.972 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)nnc1-c1cccc(OC)c1 1640970759 WCQYRZLOFWQMMF-LVCYWYKZSA-N 442.629 4.761 30 10 IJEE C=CCn1c(SCc2cc(F)ccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 1651638131 VJPZNKONTOPTEZ-UHFFFAOYSA-N 431.514 4.862 30 10 IJEE C=CCn1c(SCc2ccc3oc(C(=O)OC)cc3c2)nnc1-c1cccc(OC)c1 1651850270 DGAVMLVMJOVDPY-UHFFFAOYSA-N 435.505 4.965 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C/C(=O)OC)cc2)nnc1-c1ccccc1C 1652701558 SIEUHGLBRRTLKV-SDNWHVSQSA-N 435.549 4.797 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NCc1cc(C#N)ccc1Br)C1CCCCC1 1653026340 BSVBBEWRXOIKNX-IBGZPJMESA-N 436.394 4.884 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@H]1CCc2ccccc21 1653214903 ONIFHUUYDBJSHW-VWLOTQADSA-N 440.522 4.666 30 10 IJEE COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2cccc(F)c2C#N)c1 1654735538 CUIRMOLQAHPIDZ-GBXCKJPGSA-N 436.508 4.625 30 10 IJEE C#CCN(CCCc1ccccc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 1654784605 DDWFMEPULRHUBD-UHFFFAOYSA-N 435.406 4.716 30 10 IJEE C#CCN(Cc1csc(=Nc2ccc(OC)cc2)n1[C@@H](C)c1ccccc1)C1CSC1 1655021343 QBECUNCAUDPPTC-IBGZPJMESA-N 449.645 4.951 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br 1660658081 VJTANRATDYTMOR-UHFFFAOYSA-N 434.277 4.845 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)c1ccc(Cl)cc1F 1663279359 HJGCHCCNAJGETN-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE C=CCCC1(CNC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)CCCC1 1667565969 HGPIEHVAGCJSMH-UHFFFAOYSA-N 433.618 4.899 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1)c1ccc(Br)cc1 1672418809 YPAVLTPTUDJDNQ-HNNXBMFYSA-N 425.204 4.690 30 10 IJEE Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1672428394 BQAXTUHOSJXOJV-UHFFFAOYSA-N 429.524 4.645 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1677425263 ZJBBKMPSFGRTTM-QGZVFWFLSA-N 425.248 4.684 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(Cl)cc1F 1677567473 ROYRDJQMIXRGFU-FQEVSTJZSA-N 435.326 4.854 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl)C1CCN(C)CC1 1678594775 QKJSKCCOPTZWAI-HSZRJFAPSA-N 427.951 4.616 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CSc2ccc(Br)cc21 1680741093 BFZCFHIYMFCYOB-MSOLQXFVSA-N 428.355 4.844 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)CC1 1681855531 DTARGOJIUDOJDJ-UHFFFAOYSA-N 446.979 4.756 30 10 IJEE C=CC[C@@H](NC(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccncc1 1684647870 AJOQOQYSSBIFSR-NTKDMRAZSA-N 430.593 4.671 30 10 IJEE N#Cc1ccc(CNC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1Cl 1686133534 CJUNCJHKAIAMMC-UHFFFAOYSA-N 425.813 4.901 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1690182697 DMKRGEMKDNTSIX-FQEVSTJZSA-N 426.630 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(-c2ccccc2)c1 1690259589 ORIYMPCPBBQWQP-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1690279630 VLEQWNGGQRWQLR-DFNIBXOVSA-N 441.576 4.789 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690352393 BILNXGHNBRPZOV-UHFFFAOYSA-N 447.917 4.887 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(OC)C2CC2)CC1 1690402428 BMEFGKHOBGKZSO-QFIPXVFZSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2csc([C@H](C)OC)n2)CC1 1690412448 RBXPCRXKUAZKBD-INIZCTEOSA-N 441.576 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(C)C)C1 1690439473 GYGIMLOVVFXAMS-JOCHJYFZSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1Cc1sc(C)nc1C 1690572181 VXKZWJWMWWBTMM-LJQANCHMSA-N 427.549 4.583 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)c(Br)c2)n1CCOC 1690575945 HLJMYYZSOUTAIU-UHFFFAOYSA-N 447.402 4.917 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C)(C#N)CC1)C(C)C 1690580747 FEOBAFYFGZQRQU-OAQYLSRUSA-N 436.604 4.675 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@](C)(O)CCC(C)C)cc1 1693162788 HLUZCWLVBFRKPZ-XZOQPEGZSA-N 445.608 4.508 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1csc(CC)n1 1705524521 NFXBWUFZPPEOOC-INIZCTEOSA-N 427.549 4.626 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1ccccc1F 1705575870 BFFOJSJIHJTYTJ-IBGZPJMESA-N 446.595 4.976 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CC=C 1705577776 SRVGDZWRXWUINP-UHFFFAOYSA-N 425.374 4.691 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(CC)(CC)C1 1705701116 CMOYLQJFURBOTE-XUZZJYLKSA-N 438.616 4.875 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705748099 BXJXFJQLLOXESS-HXUWFJFHSA-N 448.995 4.746 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](CC(C)C)N(C)C)CC1 1705771749 DJAAVPCDLQJFKL-HXUWFJFHSA-N 443.661 4.712 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)CCC(C)C)CC1 1705783145 UUZNRZCQANOURM-DEOSSOPVSA-N 432.559 4.737 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(C)C)C1 1705803585 VZVQVLWKSXTMTJ-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCCN(C(C)(C)C)CC1 1705823720 SZEDCZGKTRHBTG-UHFFFAOYSA-N 441.620 4.533 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705825281 PBNKLVZANPLXFH-PKTZIBPZSA-N 438.616 4.544 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1csc(-c2ccco2)n1 1705882718 HSFXGSSLLASYRP-UHFFFAOYSA-N 435.553 4.657 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2sccc2C)C1 1705914394 ANBUWRMHDSORNE-MSOLQXFVSA-N 442.560 4.757 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCc2csc(C)n2)C1 1705916264 OBQMLMLSRQCQPW-VXKWHMMOSA-N 437.613 4.609 30 10 IJEE COC[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1712143372 AMOGSZWJRHPEKR-DFBJGRDBSA-N 439.604 4.567 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1C[C@@H]1CCCCC(F)(F)C1 1712442523 ASUVDTPBLWCFMI-HXUWFJFHSA-N 443.542 4.896 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1722310863 QKGCJRFQMLZQEY-HXUWFJFHSA-N 436.541 4.763 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCCc2cccnc21 1722391695 SCHXTENCBGGMPT-DQEYMECFSA-N 437.591 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1722405609 DPAUCWNJYFSLLX-RZDIXWSQSA-N 442.336 4.753 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(C)CCCS1 1722421274 OLYYAJVSFFEBHP-SBUREZEXSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC1CC(OCC)C1 1722498072 NGVSJXVKKJZJEW-GMLYINLCSA-N 436.600 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1 1722505435 BODUSFDGCXUKSE-QFUCXCTJSA-N 429.634 4.954 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1 1722660199 OXPTWPMPLWLZAF-UXHICEINSA-N 430.593 4.790 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CCc1ccccc1Cl 1722676541 CUUWYXBAROXKIV-IBGZPJMESA-N 426.948 4.506 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)C1 1729263864 CVFRDVPGNOFFLS-XKGZKEIXSA-N 445.658 4.591 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(CCC#N)CC2CC2)n1CC(C)(C)SC 1729993771 GFYHKDUVHOHAAP-UHFFFAOYSA-N 434.009 4.879 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC=C(Br)C1 1740569034 YODNITKMPCRTEE-UHFFFAOYSA-N 425.330 4.984 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)[C@@H](C)C1CCC1 1740589636 DNCQCQXANUDZJN-IBGZPJMESA-N 443.636 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1740650379 YNVPUOSOJBNZMQ-XZOQPEGZSA-N 445.655 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCCC1(F)F 1740658656 OZIMFSMSGSTYTA-OAQYLSRUSA-N 440.538 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)C1 1740756844 RGYHYBSXLLUPFE-FCEWJHQRSA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC1CCCCC1 1740760022 NQXYQRPXCMYORW-DHLKQENFSA-N 438.616 4.875 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CC 1740862367 QLDVGZVTNVTZMU-LJQANCHMSA-N 434.588 4.800 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1740866511 GJJFYXKKSWYKBS-VQTJNVASSA-N 442.629 4.941 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@@H]1C 1740997346 YPANEMUGZJTLOR-HOTGVXAUSA-N 439.050 4.932 30 10 IJEE CCC(CC)(Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1)SC 1743978371 CCXIZDHVLODTKN-GOSISDBHSA-N 445.658 4.529 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1744886151 CJSFXZXKNWFDFM-FMWKFLBASA-N 439.629 4.885 30 10 IJEE CCOC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)CCCC1 1746746012 HHJRLDXAXNJBEI-ZWKOTPCHSA-N 429.540 4.502 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](SC)C(C)(C)C)C1 1747258659 HSYBOHDZGLWUDX-FPOVZHCZSA-N 441.645 4.847 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC(C)C)nc1 1748639300 FCOHTPDPRVYRJC-CTNGQTDRSA-N 447.583 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)c1nc(C)cs1 1748667044 MBLZMHSOXCWYLM-RDJZCZTQSA-N 432.553 4.627 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(COC)CC1 1748732325 YLTJFLGDOTUJPL-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCC(F)(F)C1 1748784796 GWYULIQMAKTXIG-QGZVFWFLSA-N 425.483 4.885 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 1749121544 NJCSXZRFIKYKFE-VQIMIIECSA-N 429.977 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1749127423 LRILUUYVIYOQGB-JZWVFAODSA-N 433.556 4.527 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(C)cs1 1749132705 CGCKZDBFZMFDQN-WMZHIEFXSA-N 440.588 4.996 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1749136961 VHLPDJTVZVKQOJ-PWHSHALESA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N1CCC(C)CC1 1749165815 PIIZQGXKDZPMRB-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](c2ccco2)N(C)C)CC1 1749347434 BGJWIUCTIZBIJW-JOCHJYFZSA-N 449.599 4.772 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2sccc2[C@H]1CC 1749434205 KZNVJOSAQJIKJQ-QGZVFWFLSA-N 441.626 4.811 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c(F)cccc1F 1749582118 BEFFXKJJVGIENC-WIYYLYMNSA-N 430.543 4.896 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(CC)CC2)C1 1749696299 RTCGDEXSWVORHB-GOSISDBHSA-N 431.378 4.679 30 10 IJEE CSC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1750257825 GGJUAKBYVUNLMY-JOCHJYFZSA-N 443.592 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1760123624 AGTJFKYRTOMHRV-ULQDDVLXSA-N 433.021 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCc1csc(C(C)C)n1 1760298440 IDPBNTZNJJQOJD-RUZDIDTESA-N 449.624 4.980 30 10 IJEE C=C(Br)Cn1c(C)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 1760301639 GEGQSDJKGWDCLU-UHFFFAOYSA-N 436.741 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)c1ncc(C)s1 1760335239 VJESKFYBNRCPQQ-HNNXBMFYSA-N 449.584 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN(C(C)C)C1 1760339922 BSHWQJQPJXTBTA-BHDDXSALSA-N 431.669 4.720 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC1CC(F)(F)C1 1760371055 NKDXMFCVSDTHPM-UHFFFAOYSA-N 440.922 4.975 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@](C)(O)C(C)C)CC1 1760383613 VDKLISQSAGLMQP-SANMLTNESA-N 433.600 4.916 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2csc(C(C)C)n2)CC1 1760385148 NUIGTXOSOHQOPO-UHFFFAOYSA-N 428.993 4.973 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760385759 XGHDINHLQMRFDC-KRWDZBQOSA-N 448.398 4.667 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCc1cccc(C)n1 1760480538 YBROCVASMAUFFQ-UHFFFAOYSA-N 428.584 4.877 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1snnc1C 1760498386 PSQOQCQXLLOQGH-UHFFFAOYSA-N 440.960 4.635 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)C2CCCCC2)C1 1760538146 WKNCSOQJYUIUPG-URXFXBBRSA-N 445.007 4.711 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1760562898 ZBRWSGXBTOXXDQ-MRXNPFEDSA-N 430.647 4.728 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCS1 1760763054 DOPZNYHTCLMHIY-LEWJYISDSA-N 439.629 4.602 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1761055969 DFKFPOOULVGJMC-SANMLTNESA-N 446.599 4.511 30 10 IJEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCC)CCC2)C1 1764265870 BQFFZBJZBIFJEL-JOCHJYFZSA-N 434.632 4.955 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)CC 1766083901 BCFWVEPLLPOMOU-DEOSSOPVSA-N 425.577 4.822 30 10 IJEE COc1ccc([C@@H](C)CCn2c(-c3ccccn3)nnc2N2CCC(CC#N)CC2)cc1 1768426366 IBXMLQXTXZOVNE-IBGZPJMESA-N 430.556 4.673 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1c2c(nc3ccccc13)CCC2 1859649466 PDCWVTNCIIDGKP-UHFFFAOYSA-N 430.471 4.581 30 10 IJEE CC(C)CNC(=S)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1860498527 BNUMUHRRLOQROZ-AFUMVMLFSA-N 428.989 4.828 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)cc2)cc1C 1862400853 OGSVOVRKVLUROP-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2C)cc1 1862554573 GJGJGPHMOKMCOB-MZNJEOGPSA-N 442.515 4.925 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)c1 1862699323 SJNLGIBGJJSZNR-XMMPIXPASA-N 443.499 4.796 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862717077 WBOSSUXUXDZVCK-QFIPXVFZSA-N 446.459 4.832 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(C)cc2)cc1 1862736645 LUWSYOMWEMIZNR-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(F)cc2F)C1=O 1862801377 LMOUEJBKNKEMCT-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029853 ZETMQNJMDHPRBO-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCCOCCCC)C1=O 1863769329 GAMJJWVJFPQIJQ-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE CN(Cc1ccccc1)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccccc2Cl)n1 1870018985 MXSTWCJVWLAFSJ-UHFFFAOYSA-N 442.910 4.681 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(C)c(C)c2)cc1OCC 1870153154 FHHRMXDZFKWOHG-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CN(CCC)CCC 1870403811 YPVVRGOSWRNBRQ-UHFFFAOYSA-N 439.600 4.545 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1[N+](=O)[O-] 1871363859 SZXAYXFZPMIFST-NDENLUEZSA-N 436.445 4.558 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871433890 HJSMIAOVEXXJDO-FMCGGJTJSA-N 449.890 4.660 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)cc1OC 1871453497 BJSSKLVONHWMNE-CFRMEGHHSA-N 445.471 4.646 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3OC)ccc2C1=O 1871459055 MYIKARUGBKJKQS-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 1871813529 ISXDMLLAFXIQQV-MRXNPFEDSA-N 446.516 4.751 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1OC 1872761879 XXVAQTXSZYYAFC-QGZVFWFLSA-N 444.516 4.877 30 10 IJEE CCCOc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773958 CJQNYXGJZPHHHO-LJQANCHMSA-N 434.517 4.789 30 10 IJEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872783338 WZAOCEJVFYIQTI-HNNXBMFYSA-N 428.897 4.979 30 10 IJEE CCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCC)cc1OC 1874339733 JFLYNHQTUWHNLE-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1 1874437717 PFUPGCJNFQAEDP-AFUMVMLFSA-N 440.544 4.967 30 10 IJEE CCCNC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874439035 GQNCOXDQTMBVPL-FOKLQQMPSA-N 442.416 4.674 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2)c1C 1874493437 MKLFKOKDOPTRGQ-DHRITJCHSA-N 437.544 4.915 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(CC)cc1 1874511415 XIOXQOWROIVAQU-LEBHPONQSA-N 435.597 4.645 30 10 IJEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cn(C)c2ccccc12 1874512386 VEIQDNLHTDCCSB-FSJBWODESA-N 434.525 4.976 30 10 IJEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 1874561181 HIIUPXCWWOKURR-PCLIKHOPSA-N 428.517 4.567 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1874710062 RDEOGAHBFPEHHD-WUXMJOGZSA-N 435.407 4.787 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CCC1 1989840978 VVYSMPJOWAIRCB-FMLDBKJISA-N 444.575 4.858 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NC 2028847279 BTICLGQUABXNLS-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)Cc2cccs2)n1 2052614007 JEORQQJNCLHGSK-UHFFFAOYSA-N 435.402 4.661 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2066142172 PPHCRQFQKBSSSX-FGZHOGPDSA-N 448.568 4.997 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(F)c1F 2089291838 MZGCIXQSVBBFHN-WMLDXEAASA-N 431.321 4.685 30 10 IJEE C[C@H](Nc1cc(Br)cc(F)c1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2107452429 XPEPIQXNYHBGBF-STQMWFEESA-N 426.330 4.907 30 10 IJEE C#CC[C@H](C)C[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2196838223 XHBIRLHILUGNIZ-PWIZWCRZSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2218413052 AGJWKVSBIUXEDU-DRSNIGMVSA-N 448.568 4.853 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425208 PFTOVOCXXLQCCL-UXHICEINSA-N 435.406 4.667 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)cc1 2266063706 ZJDZBZIIFRCRLO-UHFFFAOYSA-N 443.328 4.635 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CCCCC2)n1 2282554436 DNSBKZYQVPUWKX-UHFFFAOYSA-N 448.416 4.912 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(OC)c(Br)c1 2291126201 CNJYENTZPCLSBC-NRFANRHFSA-N 435.314 4.763 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1CC 2296307645 XEWNSPMKGJUGON-JUXOCIIHSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296311621 ZCFNSVPTBPFRQJ-UYAOXDASSA-N 435.406 4.816 30 10 IJEE C[C@H](CCCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317349896 KPJQCUDDIXCBTP-QGZVFWFLSA-N 432.370 4.798 30 10 IJEE C[C@H]1[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317351267 FWWNHJPDPCXARD-VRLUQSRJSA-N 429.370 4.536 30 10 IJEE CC(C)[C@H]1C[C@@](O)(C#Cc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321362879 WBEAOMQUJHJXML-GGAORHGYSA-N 442.353 4.599 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3cccc(OC)c3)C4=O)C2)cc1 2322305232 AWIIBTZWMDKTEG-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(CCCCN(C)C)CO2 2322383906 IBUMVMUZLCHLGH-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)c1 2322667500 OWUZDYTWTQIXPY-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCc1nc(O)c2ccccc2n1 2324197211 RKHQHDOZFIBFGR-UHFFFAOYSA-N 430.435 4.958 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)cc1OC 2325702724 FZSNSIKDZDOXMB-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)c1ccncc1 2325732052 GZQDXJKFGYJTPH-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc(O)c1 2326621028 UIUHSBMRGRWHQU-UHFFFAOYSA-N 431.359 4.873 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2cc(OC)ccc2OC)cc1 2327351969 CNSCLKLZFXQLST-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OC)c1OC 2327678969 WREIVNCVQJOCNZ-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)c1 2328638844 FVKVZAORMSUUSV-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE CCOc1ccc(C=NNC(=S)NCc2cccc(C(F)(F)F)c2)cc1OCC 2330451566 HFLXTVQHCUUGQE-UHFFFAOYSA-N 425.476 4.501 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2cccs2)c1 2331108815 XOKALAABFISOKJ-UHFFFAOYSA-N 439.488 4.588 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cc(C)ccc1O 2331329022 OVKANNKUAYYQNA-UHFFFAOYSA-N 425.514 4.717 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cccs1 2331352198 QQKZEEIWTGHEDA-UHFFFAOYSA-N 427.599 4.912 30 10 IJEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2F)c1 2331429935 XLVJRPQKGABFBM-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc(C)c2)cc1OCC 2331558818 GDUYBGYSLNWZJY-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1C(C)C 2331710122 QOGCCANVKXNYPE-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(C#N)c(Br)c2F)CC1(C)C 2336371797 UNXMKLAVHJVVNB-CQSZACIVSA-N 426.330 4.542 30 10 IJEE CCN[C@@H](C#Cc1cccs1)c1cc(Br)ccc1I 2338246108 NDUVFDOKPKENBM-HNNXBMFYSA-N 446.151 4.818 30 10 IJEE C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@@H]1C 22034052 LBLDMHBSVIVJPM-ISJBWFOZSA-N 435.612 4.544 30 10 IJEE in-vitro CCOc1ccc(N/C(=N/C(=O)c2ccccc2C)NCCc2c(C)nn(CC)c2C)cc1 32973147 SWZPEHOCVHERIX-UHFFFAOYSA-N 447.583 4.668 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccccc2F)n1 59015043 LENBNNBBORNASW-WSDLNYQXSA-N 444.561 4.623 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)c1 62695258 UGEJGCUDOGRPQZ-UHFFFAOYSA-N 444.579 4.646 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 71973926 NQNGZVUKAFQWRI-JLJDIUBPSA-N 438.593 4.891 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2ccncc2)ccc1F 170022783 OXQBDHYMMCCKDS-FQEVSTJZSA-N 438.842 4.671 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc2ccccc12 170046165 GBRVAFVQNSJBJK-XMMPIXPASA-N 445.515 4.772 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 170066370 WCFNFQNJJZENIH-ZJSXRUAMSA-N 449.547 4.884 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170114811 MXWIKLYARCBZRL-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170149569 WNCVHLMGHVHSFR-OAQYLSRUSA-N 425.500 4.656 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170235613 DKYPLNHVXQMYID-NRFANRHFSA-N 443.927 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 170256436 CPBMCRKGJFCPME-OAQYLSRUSA-N 431.448 4.597 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cn(C)c2ccccc12 170269008 RLPIJJNTCPAPAB-DEOSSOPVSA-N 440.499 4.556 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2C)c1 170273402 SMUONJLLUFDTCI-NZQKXSOJSA-N 435.520 4.541 30 10 IJEE CCOc1ccc(/C=C(/C(=O)Nc2oc(C)c(C(=O)OC)c2C#N)c2ccccc2)cc1 170521508 LRKLERUOKPBQDN-XSFVSMFZSA-N 430.460 4.824 30 10 IJEE N#C[C@@H](C(=O)c1ccc(F)cc1I)c1cccc(Br)c1 236215467 MUNGALKLQMBGHX-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 480098775 VKXAMIMQXZOKEV-MRXNPFEDSA-N 439.441 4.936 30 10 IJEE COc1cc(C#N)ccc1CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 500877272 VQQWNNNOEQHFIJ-HSZRJFAPSA-N 440.952 4.503 30 10 IJEE C=CCN(C(=O)c1cc2cc(Br)ccc2o1)c1nc(C(=O)OCC)cs1 501939493 POSNILDMDLGRKV-UHFFFAOYSA-N 435.299 4.661 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 508911281 HXSONMURKLDJEQ-FDDCHVKYSA-N 434.540 4.505 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508918398 FLJSHJUWOXKQSM-IAGOWNOFSA-N 427.549 4.892 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508998777 UXWBRKULICSWQS-CQSZACIVSA-N 447.992 4.984 30 10 IJEE COc1ccc([C@@H](NC(=O)Cc2cccc(C#N)c2)c2ccccc2)cc1Br 530675187 LSSQFFGZDNUYEZ-QHCPKHFHSA-N 435.321 4.778 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 549253283 RMHMJUCWXIWNNE-AUSIDOKSSA-N 436.531 4.581 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2cccc(O)c2)C1 581256391 UBYIYSCYVWPCDF-XXBNENTESA-N 434.540 4.504 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F 610083915 TUMZDOAXCLGBIC-UHFFFAOYSA-N 434.823 4.644 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1cccc(F)c1 725436220 OLFJRRSFJADOCP-OAHLLOKOSA-N 426.300 4.723 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3F)N(CC)C2=O)cc1 743523804 DJYWRFNIAHKXHO-IBGZPJMESA-N 429.517 4.513 30 10 IJEE N#Cc1ccccc1COc1cccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1 794715378 XJFREMKMYHDFMA-WSDLNYQXSA-N 429.863 4.888 30 10 IJEE COc1ccc(C=NNc2nc(SCCC(=O)Nc3cccc4ccccc34)n[nH]2)cc1 1084657501 XDFGWCBWCRPBKY-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE CCOc1cccc2cc([C@@H](C)NC(=O)COc3cccc(Br)c3C#N)oc12 1124562243 ANYDLAWNQYAGIH-CYBMUJFWSA-N 443.297 4.722 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cncc(OCC(F)F)c1 1124949176 GMHPUCCCLRKKLD-UHFFFAOYSA-N 425.410 4.892 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC[C@]2(C)CCCc3ccccc32)nnc1-c1ccco1 1127743032 PNYZWNSOTSYGFY-DEOSSOPVSA-N 436.581 4.617 30 10 IJEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C)C(C)(C)C 1141644386 ONXSPRSRWBPFKJ-HSZRJFAPSA-N 440.609 4.916 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 1142073182 DNEXACBCXKHEPS-UHFFFAOYSA-N 440.515 4.784 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1152028951 GRKFTUMXWOOANA-UHFFFAOYSA-N 442.538 4.686 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1ccccc1Sc1ccc(Br)cn1 1156668755 XTHYBUXBTRBSMN-UHFFFAOYSA-N 434.403 4.575 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 1159778698 NFDXNUVKTZEEHG-GOSISDBHSA-N 442.585 4.662 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2CCCC2)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164428119 BYMISICJCCNABN-KXBFYZLASA-N 445.654 4.508 30 10 IJEE C=CCn1c(SCc2ccc([N+](=O)[O-])c(OCC)c2)nc2sc(C)c(C)c2c1=O 1164583990 NDWAXCNTFSRWGZ-UHFFFAOYSA-N 431.539 4.860 30 10 IJEE COCCN(CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1190570279 CAOFUDUWMBZSDD-UHFFFAOYSA-N 436.600 4.611 30 10 IJEE C#CC1(NC(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)CCCC1 1201467815 AKXDLBUWSCHHOB-UHFFFAOYSA-N 434.471 4.565 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 1216743971 RGLKKGKNNAOMJP-OAQYLSRUSA-N 441.572 4.780 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 1216883465 BYAJSZCKELDQBE-QGZVFWFLSA-N 447.373 4.549 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1224982842 QAJWATSZKJALLR-IBGZPJMESA-N 443.341 4.578 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1229371913 NGSYVGFYPVECKN-IPELMVKDSA-N 445.560 4.526 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)CCCC1(C)C 1270791872 BUZDAUQQTQMLNL-HSZRJFAPSA-N 446.657 4.931 30 10 IJEE C=CCN(CCOC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1271090701 OAUBRLBSIOJOKB-UHFFFAOYSA-N 441.531 4.976 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCc1nc(C)c(C)s1 1286307069 ZNQCNCSMLIMSPB-MRXNPFEDSA-N 425.627 4.653 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@](C)(OC)C1 1286318734 YIHOOJLUFQTUKW-SANMLTNESA-N 448.567 4.926 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCC[C@H]1C 1286402876 DTBZEAUAPBJAQD-GOSISDBHSA-N 444.410 4.589 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)Cc1cccs1 1286405101 ZATHMUVTKLAZGY-QGZVFWFLSA-N 440.519 4.560 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@H](OC)C(F)(F)F 1286457590 ASMSXCKWVAELFH-SFHVURJKSA-N 440.485 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCCCSC 1286517314 FQJGNSNHIODHIP-JOCHJYFZSA-N 427.574 4.769 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCSC1 1286527607 NPXOQBAMGGLUMB-VGOFRKELSA-N 431.005 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCOC(C)(C)C 1286555157 WPPOSKKEADEIKQ-ICSRJNTNSA-N 432.996 4.831 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(F)(F)F 1286560496 FKROQBDHHIQFMA-OXQOHEQNSA-N 447.505 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cn2ccc(C)cc2n1 1286583178 KNLBYUUTGQIUGJ-UHFFFAOYSA-N 444.583 4.881 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](OC)C(C)(C)C1 1286603217 OYOXGYYXRUPRFX-GOSISDBHSA-N 439.387 4.706 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cnn(C)c2)CC1 1286656544 ZLWLPUZZWOXXOJ-UHFFFAOYSA-N 434.588 4.554 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2oc(CC)nc2C)CC1 1286665333 AAAURMLJWIDDLW-WIYYLYMNSA-N 427.593 4.506 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 1286679878 UQHVFCWVOPIHSK-NZQKXSOJSA-N 431.584 4.628 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1nc2c(s1)CCCC2 1286717884 OMCZYTNKYOJFFP-UHFFFAOYSA-N 445.539 4.747 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(C)C 1286749131 LCLNGYSOXXWORC-SIKLNZKXSA-N 437.613 4.964 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286827642 VSVLKTKEEBTXED-OAQYLSRUSA-N 436.025 4.554 30 10 IJEE C[C@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1291075393 ASCXUTIJISSOIO-UGKGYDQZSA-N 437.588 4.560 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(OC)CCCC1 1291516549 FWWHXXJSTBRJSA-IBGZPJMESA-N 437.588 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1300287235 WKSWZLQINWUWJQ-HSALFYBXSA-N 428.024 4.815 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCO[C@H](C)C1 1300341885 MJNSMTQJKHKHTP-GOSISDBHSA-N 435.597 4.796 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCC1(C)C 1300656629 LCLRIEUJXMODIY-SFHVURJKSA-N 445.405 4.620 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCCC1 1300894485 COITYLHHTLRFNV-GXRSIYKFSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1Cc1sc(C)nc1C 1300925438 VTKBTAUWJSWMDY-UHFFFAOYSA-N 425.602 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301141067 IGHMJKMQMRZBEZ-QGZVFWFLSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1301150382 QZVBGXGPVDUEKF-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(C)C)c1ccccc1 1301165915 MOWJTSBNTDYSBL-FQEVSTJZSA-N 435.572 4.848 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C1CCC1 1301197647 WRCIVOQXGODZHX-FQEVSTJZSA-N 427.980 4.597 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1301802690 CBVDWUBPIDILFN-HZPDHXFCSA-N 425.455 4.507 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c(Cl)c1 1311263384 YPYBWUJFZANXLE-GHTZIAJQSA-N 439.943 4.846 30 10 IJEE C=CCN(C(=O)[C@H]1CCN(C(C)C)C[C@@H]1c1cnn(C)c1)c1nc(-c2ccccc2)cs1 1352764467 STPFLAPBYZFRQE-FCHUYYIVSA-N 449.624 4.577 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C2CCc3ccccc3CC2)c(C(=O)OCC)c1C 1355007677 GPPNYVVYAHPAKL-UHFFFAOYSA-N 441.549 4.710 30 10 IJEE C=CCC[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)c1ccc(C(F)(F)F)cc1 1357297144 OOBLKQHEAGLASH-AWEZNQCLSA-N 426.357 4.508 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@@H]1C 1358912834 ZLULZDMXHLYLJA-QHAWAJNXSA-N 443.636 4.821 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](F)(C#N)C1 1359050504 SPJIKLUWJMOQTB-HXUWFJFHSA-N 445.976 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)CC=C 1359064967 DSZRFZNQRMORGT-OAQYLSRUSA-N 430.394 4.641 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1359160055 KVSLWHUMOJNTDS-HBMCJLEFSA-N 441.595 4.834 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN(C)[C@H](C)CC)CC1 1359160367 SHNLOKJNKRXGFQ-MOPGFXCFSA-N 432.012 4.958 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCN2CCC[C@H](C)C2)CC1 1359169751 UJNXTQQOJUKLDB-YTFSRNRJSA-N 443.680 4.865 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1 1359205674 GGSZPXMTJMXVFU-NRFANRHFSA-N 425.602 4.807 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1Cc1csc([C@H](C)OC)n1 1359260290 ZBNSPWDLZHININ-INIZCTEOSA-N 429.565 4.945 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cscc2C)C1 1359312951 DDUUQGPZAHUOMS-UWJYYQICSA-N 442.560 4.757 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C1CCCCC1)N(C)C 1360478310 IAIHSCJDBMZFEW-NTKDMRAZSA-N 447.631 4.599 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 1435023934 MTRZDNSJWZBGPC-KRWDZBQOSA-N 432.442 4.648 30 10 IJEE Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 1448458762 DSHQTEASJPVCFJ-RUZDIDTESA-N 437.503 4.501 30 10 IJEE COc1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(F)cc1C#N 1461825223 HEUNCGBMNATNAD-UHFFFAOYSA-N 438.842 4.608 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 1464165419 RDFZWOQDBUMYQI-LJQANCHMSA-N 428.460 4.674 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Nc1cc(CC#N)ccn1 1467112653 FHXGGZZODPJIFQ-IBGZPJMESA-N 431.462 4.689 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1 1467365949 FGAGDDFONSTJTC-HLAWJBBLSA-N 435.442 4.625 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1467635469 YUOPYPPRECOUSJ-QGZVFWFLSA-N 439.364 4.975 30 10 IJEE CC[C@H](C)c1ccc(-n2c(SC[C@H](O)CC#N)nc3ccc(Cl)cc3c2=O)cc1 1472914609 DGOTZBYCKVZQFK-KBXCAEBGSA-N 427.957 4.919 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)N(CCC#N)c1ccccc1 1473141390 QDTNDJIROGAOOM-QGZVFWFLSA-N 444.348 4.912 30 10 IJEE CC(C)Sc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 1474951809 BNDKSQVWTWDLSW-ZDUSSCGKSA-N 439.400 4.861 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CCCC1(C)C 1476180940 LABZVPNYENHWHQ-GOSISDBHSA-N 425.570 4.501 30 10 IJEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H](C)c2nccs2)cs1 1492688161 FPJIUTKJQRLODH-OAHLLOKOSA-N 449.609 4.521 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCCC2)C1)N(C)C 1496633785 DNEBUGICWSQLAH-HSZRJFAPSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](OC)C(C)(C)C 1507519982 WBQOBNUABATLGO-JPYJTQIMSA-N 433.600 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cc(Br)cs1 1507528403 MLZYNDHRXMHICU-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1507571600 HEERZTWAYPFSHN-FQEVSTJZSA-N 441.576 4.691 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(OC)CCCCC1 1507644974 SJGOVKQBQHSBBD-UHFFFAOYSA-N 431.367 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC)(CC)C1 1507811243 OXECVIUYRFVRBK-XXBNENTESA-N 442.579 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCN1CC 1507819551 RJEQCIQDQLRKDR-NRFANRHFSA-N 433.604 4.612 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1507828006 NFMXSAMWDYQTAZ-QHAWAJNXSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1507915616 YGFBJRHHHXBRBV-UHFFFAOYSA-N 435.616 4.809 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2ccccc21 1507986264 KZQAVIQVTXFHFG-CTNGQTDRSA-N 437.588 4.702 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1507990746 TXALYVXBOYEWHQ-SFHVURJKSA-N 441.551 4.639 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCCC1(C)C 1508008475 ONKFVWJNKFNEST-AREMUKBSSA-N 449.574 4.537 30 10 IJEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1cccs1 1508073730 OXSOXFUCRMVCEA-UXHICEINSA-N 435.597 4.525 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1508164258 HXZHWJYJWXJRLH-IRLDBZIGSA-N 426.630 4.760 30 10 IJEE C=CCSCCn1c(N2CCC(O)(c3ccccc3Cl)CC2)nnc1C(C)(C)C 1508169068 XOAMFWIALSMKJH-UHFFFAOYSA-N 435.037 4.636 30 10 IJEE CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)s1 1513717444 BYEHYBVAKGMPND-MRXNPFEDSA-N 438.601 4.503 30 10 IJEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1nc(C(C)C)cs1 1516516614 CZHVBQNWQSWDCP-UHFFFAOYSA-N 448.596 4.608 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCCC2)C1 1520129719 AMNHTFGMOVILMY-OAQYLSRUSA-N 439.629 4.624 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nc(C(C)C)ncc2Br)C(F)(F)F)cc1 1521343391 BKDNCIPFOUHBAI-HNNXBMFYSA-N 427.220 4.804 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1521818310 CQAHEDKOMIKPRL-LIRRHRJNSA-N 448.744 4.855 30 10 IJEE C#C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 1525055186 YJMHBNCFBDPOSU-AWEZNQCLSA-N 439.718 4.594 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccccc2OCC2CC2)c(C(=O)OCC)c1C 1525888442 ZSCFWXIFNYOECC-UHFFFAOYSA-N 443.521 4.617 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)c1ccc(Br)cc1 1528491413 YQPLFOVMEMVIOY-GOSISDBHSA-N 442.744 4.760 30 10 IJEE C#CCN(C(=O)/C=C\c1ccc2[nH]ccc2c1)[C@@H]1CCOc2ccc(Br)cc21 1531552695 FVDCUYRUPFTQEM-AEZRFQNJSA-N 435.321 4.929 30 10 IJEE CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cccc(COc2cccc(C#N)c2)c1 1534865810 DEEIPQYSMBPWCB-RUZDIDTESA-N 442.515 4.904 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1536323647 IWAFWRZZCOCZML-AVRDEDQJSA-N 431.363 4.770 30 10 IJEE C=C(C)[C@@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(F)c(F)c1 1538994682 ADEPTWUGJQABTE-JOCHJYFZSA-N 428.479 4.747 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1539077926 MZGGQFCHRIURLX-IBGZPJMESA-N 437.588 4.588 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1539104550 LGMRPIRKKUNMNX-HXUWFJFHSA-N 434.540 4.873 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@@H]1CC 1539499140 FLKCWJFOSVCNDP-KGLIPLIRSA-N 439.448 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)c1ncc(C)s1 1539669064 KMRDCLNQWKUNHW-OXJNMPFZSA-N 439.585 4.762 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1539810130 LOEANAVHWXFRER-FQEVSTJZSA-N 444.004 4.572 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1COc2ccccc2O1 1539944839 HDQLWXLYEPNMHC-FQEVSTJZSA-N 433.556 4.671 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cccs2)CC1 1539974304 OIJXKCXQQYHSEY-UHFFFAOYSA-N 437.613 4.910 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCCN1CCC(C)CC1 1540126736 NKCHQJHRTYOINU-UHFFFAOYSA-N 432.616 4.598 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C)nc1 1540182454 RSFLQACOKOMBOJ-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)CC 1540185013 JUJYOOKESIPEBD-UHFFFAOYSA-N 436.556 4.981 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)CC(C)(C)C2)cc1 1540878691 FESJDOKTOGMHKT-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)CCCN1C(=O)OC(C)(C)C 1543575991 PEPAVTQSKIPNNZ-RUZDIDTESA-N 435.524 4.914 30 10 IJEE C=CCc1cc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)cc(OC)c1OC 1543800227 HPYXPOGGSJVQHY-QGZVFWFLSA-N 430.342 4.825 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@](CC)(CO)C3)c2C#N)C1 1559776814 ARCAVWASLCXRRO-XDHUDOTRSA-N 431.646 4.584 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3cc(C)cc(C)c3)CC2)cc1 1562197159 FCEIWFCBYICDQU-UHFFFAOYSA-N 441.597 4.521 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCc3ccccn3)Cc3ccc(OC)cc3)cc21 1563315779 QNVGXTFPQZNJBK-UHFFFAOYSA-N 441.535 4.903 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccc(F)c(F)c1 1564597808 QSTQQDFFRFQBQI-IBGZPJMESA-N 442.915 4.528 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(C)c1O)c1ccc2c(c1)OCCO2 1565656128 PPQBOQJEDPFIDG-UHFFFAOYSA-N 431.488 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CCC 1587562832 UGIPIJPHCUZKQE-WWNPGLIZSA-N 437.632 4.757 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccccc1 1587813559 QAEHWDCVXCWEQK-INIZCTEOSA-N 426.362 4.657 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)cc1OC 1587988297 KKZVLNUNTDSEMZ-FTXPHJNYSA-N 434.580 4.834 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCCC[C@H]1C 1588288829 NCHGZLHNTIVCAU-GOSISDBHSA-N 431.987 4.852 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(F)cc2)CC1 1594202774 UFOYJFZXFDNHRB-UHFFFAOYSA-N 444.352 4.820 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1)c1ccccc1 1594545372 SXDZTJYMTJFNNQ-BJKOFHAPSA-N 438.616 4.926 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(CC)C1)c1ccccc1 1594552022 FAIYZEFTHJGRFZ-NVQXNPDNSA-N 431.584 4.629 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(CC)C1)c1ccccc1 1594552648 PRUNMDOMUPLPHI-QTZVNIFKSA-N 438.616 4.988 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1594600230 MXJZDHVFSRCMQL-JOCHJYFZSA-N 432.616 4.741 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CSC 1594775930 YMKRUVUMUPGLRJ-ROUUACIJSA-N 435.638 4.648 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1noc2c1CCCC2 1595177985 DHMCVLLPQLPYFJ-KRWDZBQOSA-N 437.519 4.651 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Cl)s1 1595658463 DQJDNRZBJUDAFE-QGZVFWFLSA-N 444.988 4.746 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(F)F)C1 1595844590 FAHRAKMLCOSXET-KRWDZBQOSA-N 444.555 4.736 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2CCCCO2)c1 1611916762 GFEYQDCKMUVRAT-RTWAWAEBSA-N 425.577 4.562 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1616399301 MADWXAKPDPGYOG-UHFFFAOYSA-N 433.474 4.853 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CCCC1(C)C 1618338519 IBSABVSEZITUGL-JOCHJYFZSA-N 442.581 4.703 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 1618708147 NIJLPUXQDMBEKV-SFHVURJKSA-N 430.504 4.556 30 10 IJEE C=C(Cl)C[C@H](NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12)C(=O)OCC 1624252385 YNHFCPWXOIAAAV-WBMJQRKESA-N 427.353 4.559 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1OC 1625214881 FPTXDXYLMYUXIF-BENRWUELSA-N 434.580 4.822 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1630118883 KXPURPJCQDKWOO-FGTMMUONSA-N 435.362 4.725 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CN1Cc1ccccc1 1630157826 CYMINVNGZHDKDB-CJFMBICVSA-N 425.532 4.530 30 10 IJEE Cc1ccc(-c2cccc(CNC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)c2)cc1 1633220135 HBGIRSAINDSZFV-UHFFFAOYSA-N 428.511 4.705 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@H](C)C2)c1 1633274537 VSIPXBACDZCKSU-WXVUKLJWSA-N 440.609 4.757 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1 1633838041 JSWFABXZNPSKBY-BHIFYINESA-N 449.929 4.607 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 1635152088 DVFZFXKXVYFHQJ-HXUWFJFHSA-N 439.314 4.980 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)OCC 1643590604 WLEHBYVTIMDITB-MRXNPFEDSA-N 442.730 4.936 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN(CCc3cccc(F)c3)C3CC3)c2C#N)C1 1644645006 CQRNWJSYZQWJNJ-INIZCTEOSA-N 425.573 4.919 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 1645353760 OUKKMLHNKMZSQO-JTSKRJEESA-N 430.545 4.800 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1OCc1ccccc1 1648749417 RUMQXHGTUGWDMI-JOCHJYFZSA-N 436.552 4.531 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1OCCC1(C)C 1649538423 DFDLLAUOEXXQRD-LPHOPBHVSA-N 435.597 4.650 30 10 IJEE CCn1ccnc1[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1653441546 DBMJPTJCSCHBBU-LPHOPBHVSA-N 425.602 4.517 30 10 IJEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)CC1CCCCC1 1657316857 QCBRIOPKZNCFGY-UHFFFAOYSA-N 444.572 4.665 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2Oc2ccc(OCCC)cc2)cc1 1668818844 TVWMUZYDTGBVOY-RPBOFIJWSA-N 436.552 4.677 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CCN(C)C)C(C)(C)C 1668832268 ZWAFSZMDDNTSCR-GOSISDBHSA-N 428.390 4.652 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC)c1ccc(Br)cc1 1670206898 WYGAZZGPNVXDNW-LJQANCHMSA-N 440.341 4.634 30 10 IJEE C=CCCC(C)(C)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1673996056 BOVLQLHFYJHABV-LPHOPBHVSA-N 425.976 4.533 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F)c1ccc(F)cc1 1676113555 GXPWYHCIUQQNPT-OAQYLSRUSA-N 444.432 4.821 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCc1ccc(-c2nc(CC)no2)cc1)c1ccc(F)c(F)c1 1676825287 WHOOLWYDYPDKOJ-OAQYLSRUSA-N 426.467 4.736 30 10 IJEE CCCC[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 1679884994 IAUMYRPRFUWHAL-JOCHJYFZSA-N 437.519 4.617 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 1680959383 JQAYLIGTZQKSHE-JRGCBEDISA-N 433.568 4.963 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1681942482 NNMMCDSEQJMRGP-JOCHJYFZSA-N 441.616 4.997 30 10 IJEE C=CC(C)(C)CCCNC(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O 1683854585 KKYPLCOILOLREF-UHFFFAOYSA-N 441.410 4.733 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(I)c(Cl)c1 1686265295 WOLPACHORWLYFI-XJKSGUPXSA-N 432.733 4.879 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(Br)ccc2C1)c1ccc(Br)cc1 1686919815 MTWKDQSXCJTOFK-SFHVURJKSA-N 448.158 4.654 30 10 IJEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1690025091 DQKUNRMNIAKXRG-WOJBJXKFSA-N 439.485 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCC(F)(F)F 1690032395 AOOVULKRJYGVOS-MRXNPFEDSA-N 438.881 4.877 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@H]1CCCCO1 1690066203 BNRUOXNLHUAHCF-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)CCC(C)C 1690198195 GQCPNPXJROHXIS-PKTZIBPZSA-N 432.971 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1690216462 PMHYAHCFOWSWAB-OHUGHZGNSA-N 441.620 4.621 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCOC)CC(C)C 1690239387 VQZFBJXXPAEUGR-TZIWHRDSSA-N 432.996 4.689 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)OC1CCCC1 1690251157 PVOFDVPLOBNEHA-GBXCKJPGSA-N 440.588 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N(C)C)CCCCC1 1690259693 SEPHYRQIDNGUFQ-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1690259837 YWROLHPBRIOXRF-NRFANRHFSA-N 449.599 4.518 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1690451728 OATJCXAHDCGVMD-NRFANRHFSA-N 430.556 4.932 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690455401 HPCQWKOPROXAJE-UHFFFAOYSA-N 449.559 4.810 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@H]1C(C)C 1690556356 UXRRKEPEPNMDCQ-VWNXMTODSA-N 447.583 4.602 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1Cc1nc(C)c(C)s1 1690572099 SNSJZBGMFUBQIX-UHFFFAOYSA-N 448.571 4.717 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1690580845 GRVFDJKIQODHOI-HBMCJLEFSA-N 443.661 4.875 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](SC)C(C)(C)C)C1 1690709429 HGEISCZPJXHFKX-NHCUHLMSSA-N 428.646 4.622 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC(C)C)cc2)C1 1690710554 SZUPIRTYFSABBX-JOCHJYFZSA-N 438.597 4.547 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCC2(F)F)c1 1693031639 FGMVMDKNWKMYRE-PGRDOPGGSA-N 447.505 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc(F)cc1 1705506451 YUQQWOFVUYCECV-DUXKGJEZSA-N 426.580 4.772 30 10 IJEE C#CCCCn1c(N2CCc3ccccc3[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539540 UQUHOIYMQIIJCM-SESVDKBCSA-N 449.599 4.586 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1cccc(C)n1 1705574348 BJBBSJMTKKADKZ-UHFFFAOYSA-N 445.979 4.832 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1705600875 OLFATSHNGVTDTL-DNQXCXABSA-N 446.639 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccsc1 1705607360 ACKLZCZPKVNJCK-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC1(COC)CCCCC1 1705677311 KEJMSLOVSLSBEE-XMMPIXPASA-N 440.563 4.585 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705689935 DWZQITJWIHYCCG-LJQANCHMSA-N 449.368 4.636 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(C)C)CC1 1705701803 ISKUEHRXABJBPB-WIOPSUGQSA-N 438.616 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCOc1ccc(F)c(Cl)c1 1705718116 AIFBMOJYJARCQX-UHFFFAOYSA-N 429.927 4.538 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705721079 KVSVBIYPRVTNCZ-UXHICEINSA-N 440.588 4.524 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1csc(CC)n1 1705733495 PAQLYYRZCLCKDB-UHFFFAOYSA-N 449.983 4.986 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H]1CC 1705753436 AKAGYKWHGASKSW-QAPCUYQASA-N 438.016 4.770 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(SC)CCOCC2)CC1 1705772044 LKHTZMJRXOHUCC-UHFFFAOYSA-N 444.670 4.947 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1705772632 WPYSAQRGWOCNPO-OAQYLSRUSA-N 425.646 4.767 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1705778281 QDDBWLNCMCXHCW-MWTRTKDXSA-N 434.531 4.746 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCO[C@H](C)C1 1705801900 VONZKKPRUHBUIT-MRXNPFEDSA-N 449.393 4.688 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1705804204 SUQXJNPPLJZIIE-FQEVSTJZSA-N 435.547 4.878 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1csc([C@@H](C)OC)n1 1705836891 JVNIRXXDRLQMRN-HUUCEWRRSA-N 443.642 4.966 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)C1CC1 1705842916 UZEBXRMGHYSDML-SFHVURJKSA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCOc1ccc(Cl)cc1 1705866259 LHVJMCLTTUQMFT-KRWDZBQOSA-N 444.988 4.769 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC[C@H]1OC 1705882381 VJBRTAGEQFRSFI-NLWGTHIKSA-N 444.645 4.585 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(Cc1ccco1)C(C)C 1705941152 AIMVTZGILDGMLI-UHFFFAOYSA-N 426.542 4.601 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCSC1)C1CCCC1 1710403511 AHQHQBHUHBBXKB-FGZHOGPDSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cccnc1OCCC 1722274834 ADQKHMCXKSKVLZ-FPOVZHCZSA-N 447.583 4.725 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(OC)CC1 1722310147 HOWDXHWSMHHZJC-QFIPXVFZSA-N 445.405 4.907 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722495926 INNQECPWBQIYEU-SHJAMOMRSA-N 446.542 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN1CCC[C@H]1C 1722513420 YGMUDBXTTSFJTL-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1cccnc1OCC(F)(F)F 1722514511 GDRLUQCOOKYVNM-UHFFFAOYSA-N 437.510 4.798 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722548539 JOSXXSOEDSMDGM-UHFFFAOYSA-N 443.260 4.587 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)OCCc2sccc21 1722598588 KZXWTBBRQSYRFE-YADARESESA-N 444.645 4.904 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCOC[C@H]1C)C1CC1 1722646234 KMQQIBUPDRLUIS-SJLPKXTDSA-N 445.405 4.843 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCO1 1722659563 YHCKSKBPJVMXDK-LJQANCHMSA-N 441.938 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1(CC)CCOCC1 1722662847 MRVSUMXPABXWKQ-UHFFFAOYSA-N 425.602 4.745 30 10 IJEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)C1CCCCC1 1722685066 MQNJJGBVWKOTJX-SFHVURJKSA-N 434.588 4.656 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(CC)CCC2)C1 1722711654 WFCXSPOVGJCASK-OALUTQOASA-N 428.552 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1722721676 KRFNVDVZWWYSLA-AZUAARDMSA-N 434.506 4.615 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cccs2)CC1 1740577755 OLBKNMWBAPCFDL-UHFFFAOYSA-N 449.624 4.666 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1740580218 RHASJGQMFNOUNB-LJQANCHMSA-N 433.021 4.889 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(Cc1cccs1)C(C)C 1740582615 GBFUBLANQWPCEP-UHFFFAOYSA-N 446.418 4.936 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1740747012 VJVFBRTZCKXPLU-UHFFFAOYSA-N 437.426 4.703 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCCCO1 1740751397 JRURTWCDCYWBIR-YCAMKHIRSA-N 438.616 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1740751973 QIZQWFYXMAWFRB-LMCOJAPRSA-N 429.634 4.922 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2cc(Cl)ccc2OC)nnc1C(C)(C)C 1740766142 GDQAYUSZFMUHBT-OXJNMPFZSA-N 432.996 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1c(Cl)cccc1OC 1740776131 PWNDYMGWOOAOFU-UHFFFAOYSA-N 431.993 4.747 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1740783038 GXXDGTWPQGNOMD-LJQANCHMSA-N 444.352 4.750 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1740816273 AATJXJHHYDZIEJ-MXEMCNAFSA-N 439.991 4.693 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1740837982 BYDJFFPYNQIAST-SFTDATJTSA-N 430.980 4.963 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCSC(F)(F)F 1740894187 LTGDBRQNHJYKKC-UHFFFAOYSA-N 427.315 4.644 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@H]1C(=C)C)C1CC1 1740908648 GBGVXAHEFOPXBW-UZLBHIALSA-N 443.389 4.844 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1C[C@@H]1C 1740939329 UWOPIPYJWCUKBF-UONOGXRCSA-N 439.785 4.656 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1CCC(C(F)(F)F)CC1 1740942169 FJLWFLCRCYWUNG-UHFFFAOYSA-N 442.551 4.938 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCN(C(C)(C)C)CC1 1740948333 OJDPCLIXLQMWCV-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)C1 1747482888 HYEYEFKPCRXGSX-CMCXCUNFSA-N 439.629 4.742 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1748723979 FTCCDRKKUGENSB-RTBURBONSA-N 443.389 4.515 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCO[C@H](C)C1 1748935843 BXDYKOYCIPQGEW-WOJBJXKFSA-N 445.007 4.526 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cccc(Br)n2)CC1 1749293830 VZLFFRBWSIQPQG-UHFFFAOYSA-N 438.373 4.870 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1749335024 KCCYEHINLHTJHU-UHFFFAOYSA-N 449.599 4.681 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1749366580 HIMTYXOTTYXJCA-UGKGYDQZSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749390408 DKSGJLZCGZZBPH-IBGZPJMESA-N 429.996 4.697 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1749539368 ZSBWONJNHMYPDL-UPVQGACJSA-N 433.600 4.927 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1760131450 SPDKAETYRYJOAU-FXAWDEMLSA-N 445.405 4.936 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1760162097 YXTORTLTCNTTAH-DHIUTWEWSA-N 434.584 4.609 30 10 IJEE C=C(Br)Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnc1C(C)(C)C 1760314841 SNQUDGXNAUROMU-UHFFFAOYSA-N 434.338 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1760337952 BERQVDPKJFXEBR-UHFFFAOYSA-N 448.590 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)cc(OC)c1 1760340313 TXFPAIVPBARGTE-NHCUHLMSSA-N 430.568 4.795 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC(F)F)CC1 1760384506 ADYQPMFJDTXPDG-UHFFFAOYSA-N 433.322 4.555 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760408076 AJEHUHKVEFKHRD-UHFFFAOYSA-N 444.583 4.643 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1760460694 CANOZUOXSYIPIN-IFMALSPDSA-N 448.615 4.983 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1760475689 QOSBBLXOJYIBBS-JPYJTQIMSA-N 442.579 4.992 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1760482072 QZFDWCSSWQDEFZ-UHFFFAOYSA-N 439.604 4.635 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(F)c1 1760502155 POXIMLFAECBHNG-KRWDZBQOSA-N 440.588 4.958 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCCCc1ccccc1 1760507133 JLMFONZGXCYXKU-UHFFFAOYSA-N 428.378 4.691 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CC(C)C)C1 1764623232 FUBQRAUJZPKIRV-NRFANRHFSA-N 444.583 4.921 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1765167247 AGJNTBPZOOCREJ-QFIPXVFZSA-N 434.613 4.808 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](CC)C1 1765307424 HMLFUFBXOWVTQN-JAXLGGSGSA-N 439.629 4.887 30 10 IJEE O=C(/C=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(I)cc1 1860727278 HXDONKQVYMVTPY-RUDMXATFSA-N 446.071 4.819 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)cc1 1862390865 NPJLZEXASHEJAN-QHCPKHFHSA-N 438.543 4.698 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862479517 JIEHFKWIEDYYHB-QFIPXVFZSA-N 433.504 4.693 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(Cl)cc2)c1 1862491415 SGRYMVOTNULIHU-OAQYLSRUSA-N 427.928 4.698 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c1 1862621581 UQNRGNIKWIUKNJ-XMMPIXPASA-N 441.483 4.811 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3F)C2=O)ccc1F 1863094392 WFFGAYFHZIQKLG-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CC(C)COc1ccc(C(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)cc1 1870111743 BGRQTICCVSZKHJ-UHFFFAOYSA-N 444.322 4.792 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccccc2Cl)ccc1Br 1870141054 XMVXNHICDADLJJ-RMKNXTFCSA-N 442.704 4.515 30 10 IJEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1CN(CCOC)CCOC 1870677667 ONWYFOOVXMJJRR-UHFFFAOYSA-N 438.653 4.873 30 10 IJEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O)C(=O)O 1871423002 LWWCPMBNBHHMJD-VFAFIFLJSA-N 426.465 4.651 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871428617 LCAOWVCUAURBRC-ZHZULCJRSA-N 430.884 4.613 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871441851 MVTPNTYFVCHARN-QRVIBDJDSA-N 427.456 4.831 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4)cc(C)c3C2=O)c1 1871456031 JCBGIMJORUMHKO-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 1872028262 KODQJFOUMPGHJY-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1872069884 HHMIZDURARRINB-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(CNC(=O)c3ccc(Cl)cc3Cl)[nH]c2c1 1872795763 WGEJXCAUIAUUEV-UHFFFAOYSA-N 443.334 4.614 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C(=O)OCCC)cc3)c(=O)oc2c1 1873977768 AGYUOAUMHTTZEX-UHFFFAOYSA-N 449.503 4.804 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874279583 LZPMQQSSAUSOPP-HYARGMPZSA-N 427.917 4.785 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874310471 XLLJCESRLCLQMT-YZSQISJMSA-N 444.560 4.952 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(C)c1 1874344085 WRAUEAHOOKUPMB-ZVHZXABRSA-N 442.972 4.758 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874358586 PCYRMAWGHCNEMJ-FSJBWODESA-N 437.525 4.650 30 10 IJEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc2c(c1)OCCO2 1874458544 UJCIZXABOSAAOM-BHGWPJFGSA-N 434.443 4.551 30 10 IJEE CCSc1nnc(CCOC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874470936 PPZVIPMPSWUHMV-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2C(C)(C)C)cc(Br)c1OC(C)C 1874481017 PNLVDRCANBRLLY-KEBDBYFISA-N 441.395 4.738 30 10 IJEE C=CCSc1nnc(CC(C)C)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874490418 PPFMVJJNWPNQRC-RGVLZGJSSA-N 439.379 4.504 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874534531 NNGYEAPYSOCLQM-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1874582800 HUMARXSBFBGALE-UKTHLTGXSA-N 429.472 4.891 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OCC(N)=O 1874602040 QWOIFTXRJCPYOJ-XNTDXEJSSA-N 427.500 4.851 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875151742 AFRFSUTWSPYMQK-VQHVLOKHSA-N 445.443 4.989 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cccc(OC(F)F)c2)CC1 1890712352 HRNQYOUIHQQRSJ-UHFFFAOYSA-N 444.463 4.731 30 10 IJEE C#C[C@H]1N(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CC1(C)C 1899917185 YRWPNMHVPDVNOQ-MUEKUWCCSA-N 444.575 4.810 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Cc2ccc(Cl)cc2I)C1 1901967438 VODJSJMROXXWLM-QGZVFWFLSA-N 446.716 4.638 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(OC)cc1Br 1922066624 VJAJCHSJMZFLBW-VXKWHMMOSA-N 434.374 4.632 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](C)(O)c1cccc(NC(=O)OC(C)(C)C)c1 1922078365 WDYHAILRSPGBPO-ZEQKJWHPSA-N 440.584 4.992 30 10 IJEE C=C(COC(C)C)[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479888 URKCPHSSJZTFGJ-GOTSBHOMSA-N 434.621 4.836 30 10 IJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)CCC1(F)F 1991565914 YOZDOEMMRJAKBH-QRWLVFNGSA-N 431.524 4.951 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(Cl)cc(Cl)cc1Br 2024058405 ARGKKVPZVKBZDE-GFCCVEGCSA-N 436.133 4.611 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2038877891 WYCFLLFLPPXEQA-KJOQGJGQSA-N 446.632 4.574 30 10 IJEE CCc1nn([C@@H](c2ccc(C)cc2F)C2CCC2)c(I)c1/C=N/O 2079041941 BDLXUZSGAVKBBM-LYUVJKPTSA-N 441.288 4.695 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)c(O)c1 2079849498 YBTBMDZAXKETKL-CQSZACIVSA-N 430.224 4.640 30 10 IJEE CCN[C@H](C#Cc1ccccc1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2103685033 NUMKCZSEMDYNPC-LEAFIULHSA-N 448.607 4.860 30 10 IJEE CC(C)(C)OC(=O)NCc1ccsc1C(=O)Nc1ccc(Br)cc1C#N 2124688011 LSWJKVLQVRMHID-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE N#C[C@@]1(Nc2ccc(Br)cc2)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156276655 HACJAJJXPJTWGL-YADHBBJMSA-N 426.358 4.578 30 10 IJEE CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)c1ccccc1C#N 2181044276 AQINUPSUZXYSBA-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)[C@@]1(C(=O)Nc2cc(Br)ccc2C#N)CCN(C(=O)OC(C)(C)C)C1 2181133253 QENGIRTXBSJLDD-HXUWFJFHSA-N 436.350 4.542 30 10 IJEE CC1(C)CN(Cc2ccccc2)[C@H](CNc2cc(Br)c(C#N)cc2F)CO1 2194647949 FVFOESLNQGLZKG-QGZVFWFLSA-N 432.337 4.551 30 10 IJEE C=C[C@@H](C)C[C@H](NN)c1sc(Br)c(Br)c1Br 2212190509 YLIVMRSWPXKLPJ-RITPCOANSA-N 433.007 4.752 30 10 IJEE Cc1ccc(C#C[C@@H](O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223327699 BUQHKLJRJVWJLW-SHQCIBLASA-N 435.564 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@@H]1C(=O)C#Cc1ccccc1Br 2227491374 RLUIGZRZTNGXRC-KRWDZBQOSA-N 438.387 4.501 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2235728507 RIJCJVOUILMNDI-WSTZPKSXSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NCCCc1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1 2267500053 COEIAZDGTKWQLP-UHFFFAOYSA-N 444.381 4.709 30 10 IJEE CC1(C)OB(c2ccccc2C(=O)Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2267571554 KJFMEPIFOLCXDC-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE N#Cc1c(F)cc(Br)cc1Nc1cc(F)ccc1I 2271690313 XWMDZQUZCKGWRB-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE Cc1ccc(C(=O)C#Cc2ccc(Br)cc2)cc1I 2278728180 PQRVAVVANHSIIC-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CC[C@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1cccc(Br)c1)C(F)(F)F 2278731833 BUWVENRNSNYFTI-KRWDZBQOSA-N 434.252 4.606 30 10 IJEE C=C1CC(COc2ccc(N)c3cc(Br)cnc23)(NC(=O)OC(C)(C)C)C1 2280075802 MXGZBAAFKWXIFR-UHFFFAOYSA-N 434.334 4.572 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](NN)c1ccc(Br)cc1I 2284085036 YTCNBCRWIWPSLQ-OAHLLOKOSA-N 447.158 4.554 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2296219050 KLRCWBACYCAFTB-YSIASYRMSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 2296292568 ZRTVLSJQFZJWOQ-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC1(N(C)C(=O)OC(C)(C)C)CC1 2296292766 BWPZALWVOAIPRJ-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2ccc(Br)cc2)CC2(CCCC2)C1 2296296779 RIHZPUHZEAMGNK-SFHVURJKSA-N 433.390 4.746 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 2296296829 RZLCZBBBKZESDH-DLBZAZTESA-N 445.348 4.717 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2296300784 MMLCOILXNOPHRQ-MISYRCLQSA-N 435.406 4.862 30 10 IJEE C=CCOc1c(Br)cc(C=C2N=C(c3ccccc3)OC2=O)cc1OCC 2297453726 QYPNZWMZWKBTKX-UHFFFAOYSA-N 428.282 4.757 30 10 IJEE CCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)NC1=S 2297454048 BFOJRSPDTVQJRR-UHFFFAOYSA-N 432.332 4.522 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)C1(C#N)CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2307672323 YUPGJIRCNDERJO-IQJRZOLZSA-N 431.577 4.566 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 2314429536 JIBKHBVKIQSNFN-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OC(=O)c2c(OC)cccc2OC)c1 2314429854 QGZMPZIDYITKFI-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCCCCOc1c(Br)cc(C=Nn2c(C)nnc2SC)cc1OC 2321066312 FNAQXFINYVLBBK-UHFFFAOYSA-N 441.395 4.921 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 2322214479 ZHUDTGFSBFANPY-UHFFFAOYSA-N 442.471 4.996 30 10 IJEE COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccccc1C 2322474987 DMFMJAZEQMBILG-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2OC)C3=O)c1 2322722998 WRPTWDYFTGRYGF-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)cc1OC 2323097948 XTSKFDMRDRRHMR-UHFFFAOYSA-N 445.471 4.562 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)s1 2325443883 DODRIASKBBYLLS-HNNXBMFYSA-N 449.532 4.740 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2cn(CC)c3ccccc23)o1 2326838746 AJLICAPFIAZYRK-UHFFFAOYSA-N 437.525 4.505 30 10 IJEE COc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)c1O 2329918886 QVQXQNGLEBQPLK-UHFFFAOYSA-N 446.532 4.746 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1c(F)cccc1Cl 2330692491 ACCIBTHHGJJYCU-UHFFFAOYSA-N 446.935 4.911 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1O 2330824576 OYZVSQPKVUAABD-UHFFFAOYSA-N 425.514 4.655 30 10 IJEE CC(C)c1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331701578 UDZITKKHNUTKQA-UHFFFAOYSA-N 431.905 4.843 30 10 IJEE COCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2331708773 WUPDATOHDOWXDT-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)C)c(OC)c2)c(OCC)c1 2331733961 LODCEHOAPWKYLE-UHFFFAOYSA-N 442.508 4.959 30 10 IJEE CC[C@@H](N[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511252 DLXXDCAQIAVXKA-NHCUHLMSSA-N 446.441 4.576 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339588751 MXFPQFASDYWTBI-IBGZPJMESA-N 444.381 4.798 30 10 IJEE C#CCCCCC[C@@H](OCCCN)c1sc(Cl)cc1I 2366657895 OWUMQVCDXJJFSY-CYBMUJFWSA-N 425.763 4.996 30 10 IJEE Cc1ccc(CNCc2ccc(I)c(Br)c2)cc1C#N 2377329084 IUEGNGUTDYSOJM-UHFFFAOYSA-N 441.110 4.524 30 10 IJEE Oc1c(I)cccc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 3082930 ZBKBVXULKIBPBU-SSDVNMTOSA-N 441.228 4.951 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(CC(=O)O)cc2)cc1 13194440 JHCWJXCZHZEIRY-XMMPIXPASA-N 441.483 4.659 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccccc2)Nc2cnc3ccccc3c2)n1 14159302 OPNYZZITYLRMIZ-UHFFFAOYSA-N 427.537 4.919 30 10 IJEE Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 21356327 VARLLHRRKSTZBN-XMMPIXPASA-N 434.517 4.957 30 10 IJEE C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C(O)=NC1=S 33441789 KEDPAUDBRYELEF-RVDMUPIBSA-N 433.455 4.766 30 10 IJEE Cc1cc(C)cc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)c1 38623055 BPIZRIXIDNYFQE-MOPGFXCFSA-N 430.504 4.610 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccs1 100221966 VFMABODDLGBPPF-LJQANCHMSA-N 436.618 4.543 30 10 IJEE CN/C(=N\c1ccc(Cl)c(C(F)(F)F)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 105532302 NRPKIHILKPJJFX-HNNXBMFYSA-N 441.862 4.631 30 10 IJEE N#CCCn1cc(/C=C/C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c2ccccc21 108882463 JDCPYAXQAAWIGB-VAWYXSNFSA-N 441.535 4.512 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2C)c1 169936712 FONXACCORBMSCL-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N(C)C2CCN(C)CC2)C1=O 170095018 AURHLFBBVMRGEG-UHFFFAOYSA-N 439.644 4.770 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(C)o2)cc1 170101419 PGPYGTBNYKRNBL-NRFANRHFSA-N 448.431 4.678 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170131799 RLMYRDZGRMOEQQ-QHCPKHFHSA-N 445.446 4.639 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCCOC(C)C)c1 170148323 AKYGAIVIODBUHM-DEOSSOPVSA-N 449.547 4.713 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccs2)c(C)c1 170160620 QWDDHTPFORAKAB-JOCHJYFZSA-N 447.512 4.919 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccn1 170179476 XOBQDBXOWSFGGF-FQEVSTJZSA-N 440.927 4.963 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccnc2)cc1C 170186423 NHFAVYPACWCGKI-HSZRJFAPSA-N 444.487 4.667 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)c1C 170187928 XJOXBOWXFHDOLY-FYSMJZIKSA-N 440.499 4.805 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccncc2)c1 170201808 VUGBZBJKXRBLIV-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccncc1 170206118 JNPCQPKHNMBRCW-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)c(OC)c1 170224007 VKNCCZXNRPFLTM-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)ccc1Cl 170261717 DZEZCOFTRIOQPY-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccco3)oc12 170281797 OFASLXGDXSSBLN-HXUWFJFHSA-N 433.391 4.956 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccco1 170291995 XSFYGEFGOZJUNG-QGZVFWFLSA-N 448.258 4.967 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(C)o2)c(C)c1 170299224 RGEUVJDFVYZMKO-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1C 170305272 WVPWRJQFUZRENI-HSZRJFAPSA-N 442.471 4.950 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@H]1CCCO1 170315912 GMVYUVXRIPAJOW-UTKZUKDTSA-N 433.529 4.967 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1cccc(OCc2ccccc2)c1 170457755 TXSLUGWTASQYIV-XMMPIXPASA-N 437.536 4.613 30 10 IJEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(OC)cc1 254310086 QXTWBZLBQSGXCM-GQOJFKQTSA-N 427.551 4.698 30 10 IJEE CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1cccs1 254816513 MJOMLFSNFFEETA-UHFFFAOYSA-N 430.537 4.818 30 10 IJEE CC(C)[C@@]1(C)CSC(=Nc2ccc(I)cc2Br)N1 398455547 AUVIKTHNBVMKDN-CYBMUJFWSA-N 439.160 4.792 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)N(Cc2ccccc2)c2ccccc21 438627271 ULGXCYSUYWFYIR-SFHVURJKSA-N 440.547 4.650 30 10 IJEE CCCc1c(NC(=O)N2CCC[C@H](CN3CCCCCC3)C2)cnn1-c1cccc(C#N)c1 439695386 YOFUFKASZBCAKF-JOCHJYFZSA-N 448.615 4.816 30 10 IJEE C=CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1nc(-c2ccc(-c3ccccc3)cc2)cs1 502500454 VMQCDFRAHKSTIX-UHFFFAOYSA-N 445.504 4.952 30 10 IJEE CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2c(F)cccc2I)cc1 505830506 DKEBNLNPJGKQKW-MRXNPFEDSA-N 436.268 4.722 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 516531028 DOVZIQZOQJHGHX-RBUKOAKNSA-N 430.302 4.611 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(F)(c2ccccc2)CC1 519431152 SYQTVVHOKFNLAO-UHFFFAOYSA-N 444.514 4.635 30 10 IJEE COc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526608540 KBPSYYKAGNKGGS-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2nccs2)C1 558996378 CHORKRKSGBBXOI-QAPCUYQASA-N 445.976 4.682 30 10 IJEE CCOc1ccc([C@H](O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 606657401 PESFUAQVTCAEJX-SJORKVTESA-N 425.337 4.735 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 606773599 LFWMZSYJUNHRGS-UHFFFAOYSA-N 438.490 4.571 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 685551702 DUDHALKWTYKEIK-PMACEKPBSA-N 447.587 4.531 30 10 IJEE C=CCOc1ccc(CNCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc1 705676530 VDYYCTROYNKAAD-UHFFFAOYSA-N 428.576 4.812 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCO[C@H](c3ccc(F)c(C)c3)C2)c1=S 763335177 JUXMKFIEUCGJMO-SFHVURJKSA-N 430.574 4.807 30 10 IJEE COc1cc([C@@H](NCc2cc(Cl)ccc2OCC#N)C(F)(F)F)cc(OC)c1OC 778992202 FWRYNOVMVVXFRT-LJQANCHMSA-N 444.837 4.661 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 812187644 BDQGYOMNUUSQJS-HXUWFJFHSA-N 447.608 4.754 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(-n2c(C)cnc2O)cc1 814770079 PMEPHUUCBMWYFN-UHFFFAOYSA-N 426.402 4.684 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1)Nc1cccc2ccccc12 1084652402 DYXPSOFZQUGFTB-UHFFFAOYSA-N 436.928 4.788 30 10 IJEE C#CCCCCC(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1128072633 UVGIFRBOXBTFGE-XZOQPEGZSA-N 426.601 4.945 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C(C)(C)C)cc1 1128143297 DZSFKGPWZPWTPU-UHFFFAOYSA-N 440.496 4.762 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1128737137 DOZGUHYKGNRLJE-QVKFZJNVSA-N 440.462 4.555 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)cc1OC 1131723675 BEIDJQQDIUBZQH-DKISHCGFSA-N 442.943 4.790 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(F)cc(C#N)c1)c1ccc(Br)cc1 1132223715 BXOIGFDUTYYCII-KRWDZBQOSA-N 448.292 4.664 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1161251490 ZIUYNKJCYPXEIK-SFHVURJKSA-N 448.972 4.720 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1161580377 KQQYMHTVIPGCMB-IBGZPJMESA-N 426.582 4.959 30 10 IJEE C=CCn1c(SCc2nc3ccc(C(=O)OC)cc3[nH]2)nnc1-c1cccc(Cl)c1 1165888901 IBWNGYSBIZWAOC-UHFFFAOYSA-N 439.928 4.740 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 1171113345 PRWUQQHRORHZBA-SFHVURJKSA-N 426.479 4.840 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 1199047338 AHVJHUQUYTTWNE-UPVQGACJSA-N 432.568 4.864 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@]2(CO)CCCc3ccccc32)cc1F 1201225761 BHHFSGKHFJKIER-VWLOTQADSA-N 431.467 4.835 30 10 IJEE COC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccccc3O[C@H](C)C#N)cc2)ccn1 1209130878 FFZUCGTWISTXES-OAHLLOKOSA-N 432.436 4.595 30 10 IJEE COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2cc(C#N)ccc2C)c1 1211229479 BWKFGCYJFOBZKH-ZCYQVOJMSA-N 432.545 4.795 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)Oc1ccccc1F 1228881208 IRZHYTDZJBAAIH-AWEZNQCLSA-N 439.300 4.892 30 10 IJEE C=CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1264165703 KAWFTAHQLOIIRD-UHFFFAOYSA-N 426.582 4.625 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCC2CC=CC2)ccc1Cl 1279522545 PESIUIUVZAJGNV-UHFFFAOYSA-N 448.947 4.556 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@H]1CC 1286278399 CQBSSRAMNOMXNZ-TZIWHRDSSA-N 439.673 4.998 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cn(CCCCC)nc1C 1286442955 SEJJMBGXZIGBNY-UHFFFAOYSA-N 429.572 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@H](O)C1 1286569490 RPXFDLSDWLLDBG-MJGOQNOKSA-N 447.421 4.970 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nccs1 1286569754 YFEIZPQKCSANEO-UHFFFAOYSA-N 427.574 4.648 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1286616932 GCMHVBQLPKKFES-UHFFFAOYSA-N 425.458 4.676 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286766687 VSBHWKUSBLMRID-BJWYYQGGSA-N 436.959 4.580 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(C)nc2)C1 1286802185 PPXDSTVNDFGCBM-GOSISDBHSA-N 444.366 4.785 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccco2)C1 1286814326 PWLSAPQKOGWTFC-GOSISDBHSA-N 430.961 4.646 30 10 IJEE N#Cc1ccc(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 1290153169 IESPVUUKIMUNSY-UHFFFAOYSA-N 427.573 4.584 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C)(c3ccccc3)c3ccccc3)n[nH]2)c1C 1293193322 UMLLJLGIXKZURS-UHFFFAOYSA-N 425.536 4.770 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1300349253 SFPGGXPROROENT-JKSUJKDBSA-N 433.419 4.841 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1CC 1300473151 PHYICWBVBOYKMM-SJORKVTESA-N 431.378 4.515 30 10 IJEE C#CCN(CCOC)c1nnc(CCCc2ccccc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1300675150 MMXCBVZMIHGVQA-LEWJYISDSA-N 448.533 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCO[C@H]1C(C)C 1300919147 WVGMJDZEKYCJIT-URXFXBBRSA-N 426.605 4.731 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1300983376 IEMDNMHKYSZZKO-WMZHIEFXSA-N 433.556 4.529 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1301026820 AFCRRNGLZPQMSR-LJQANCHMSA-N 444.366 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1Nc1cnn(CC2CCC2)c1 1301155371 NLZANRNIYQHIJH-UHFFFAOYSA-N 425.606 4.976 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1301164907 CATSJWRLCIVJPY-WIYYLYMNSA-N 447.549 4.663 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1nnc(C(C)(C)C)s1 1301339529 PDIJHKQGVQFUTB-UHFFFAOYSA-N 447.612 4.807 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1CC1=CCCCC1 1301350367 VYZWGLPHSCQTQR-VWLOTQADSA-N 440.563 4.762 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)c1cccnc1 1302512076 BCWCRDSXUAUAIJ-WMZHIEFXSA-N 444.583 4.655 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cc(Cl)cc(Br)c2)cc1 1308516029 ADDZRXKGGLMUFZ-UHFFFAOYSA-N 429.767 4.521 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)NCc2ccc(-c3cccs3)cc2)c1 1309662039 FNHNRQGQCFGZGW-UHFFFAOYSA-N 433.352 4.528 30 10 IJEE COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 1352714154 GSLMFGQXGBSQJF-AZGAKELHSA-N 439.515 4.998 30 10 IJEE N#Cc1c(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)sc2c1CCCCCC2 1354723978 AQNVPOLMQLAMAY-QGZVFWFLSA-N 431.355 4.983 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(Cl)cc(Br)c2F)cc(OC)c1OC 1356304966 OAKWNJRIHCZQNR-UHFFFAOYSA-N 442.712 4.917 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1CC(=O)Nc2ccccc21 1358207313 CUZSIKASJPFAKD-CQSZACIVSA-N 431.305 4.619 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1358909749 QNKMFDBKLBMFBP-UHFFFAOYSA-N 449.574 4.777 30 10 IJEE C#CCCCn1c(N2C[C@@H]3CCCCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935645 PAVPUJFNNGOPQH-BURNTYAHSA-N 441.620 4.621 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)c1ncc(C)s1 1359000609 AIDKPOOGDVDTFJ-RDJZCZTQSA-N 427.549 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)(C)CC1 1359102205 YFAVFRFXECZTSU-VGOFRKELSA-N 430.543 4.755 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1359132867 HBVYNHQFFASZRS-ICSRJNTNSA-N 445.633 4.515 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CCC)c1ccccc1 1359138523 WOKMWYFXLANOQW-UHFFFAOYSA-N 428.378 4.996 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1359166720 FCUZGNNRRUTSEZ-UHFFFAOYSA-N 435.597 4.874 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nnc(C)s2)CC1 1359174317 ZXCDXRFZAJLSRM-CQSZACIVSA-N 444.992 4.682 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359200679 NERXLJXSVZUUMB-XDHUDOTRSA-N 441.551 4.544 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CSCCS1)C1CC1 1359248070 ZDPRDGIVQKTJQE-QGZVFWFLSA-N 438.569 4.550 30 10 IJEE C#CCN(C(=O)Cc1ccc(C)c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1435176004 PUVSBNZEAUHMQI-IBGZPJMESA-N 432.745 4.939 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)cc1 1436088108 LWVQNMXDHWTABE-OAQYLSRUSA-N 442.353 4.591 30 10 IJEE CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(Cl)cc1Cl 1436647792 CUKYVCBXMBCBBU-IHRRRGAJSA-N 447.384 4.699 30 10 IJEE C#CCOc1ccc(CNC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1449788681 KJRZQYWXTBUAPF-UHFFFAOYSA-N 428.573 4.522 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1c2ccccc2CC[C@H]1C 1458292603 AMUHCCPBRTZCGT-SPLOXXLWSA-N 443.341 4.538 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1458997245 KPAZLFVGNKJFQL-DYESRHJHSA-N 449.469 4.662 30 10 IJEE CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1460398424 BMJVHKXDRFBLHG-XMMPIXPASA-N 425.532 4.660 30 10 IJEE C#C[C@H](NC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)c1ccc(Br)cc1 1460791358 XWRXJKSIHXMSCI-KRWDZBQOSA-N 439.231 4.531 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 1462565265 LAGMYVKCDNAMJQ-KOMQPUFPSA-N 444.482 4.936 30 10 IJEE CC[C@@H]1CCc2nc(O)c(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2C1 1464780163 WNNPIGLQSCNHAV-CJAUYULYSA-N 441.531 4.876 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1cnccc1C)c1ccc2c(c1)OCCO2 1464953050 BTUSOTDVULHGMX-FLIBITNWSA-N 442.515 4.973 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(Br)c1 1465029993 CDOIUCCSOBGEOD-OAHLLOKOSA-N 427.339 4.646 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)c3cccc(Cl)c3Cl)ccc2c1=O 1465305264 ABQBSVCCVBROCM-LLVKDONJSA-N 434.348 4.669 30 10 IJEE C[C@@H](CO)n1c(C(F)(F)F)nc2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)ccc21 1468180843 FDIZWLATRPUAHH-ZDUSSCGKSA-N 430.430 4.662 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCc1c(C)noc1C)c1ccc(Br)cc1 1468451070 NFICNTVOUBWDGL-FQEVSTJZSA-N 439.309 4.737 30 10 IJEE C=CC[C@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)c1ccncc1 1468884618 OXTMTPPPFSQGOB-NRFANRHFSA-N 430.593 4.815 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 1469287290 CFYCFXSGPFQQIX-MJEQTWJJSA-N 436.375 4.666 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN1CCCC[C@H]1C 1469630708 MATBNTKJGZDPGS-CLOONOSVSA-N 447.579 4.766 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(Cl)c2)CCC1 1471224106 ZVNNOJQIAOFMMT-KRWDZBQOSA-N 427.372 4.914 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2c(Cl)cc(C)cc2Br)c(OC)c1 1474768195 HXGKERLLJCGIEP-UHFFFAOYSA-N 431.735 4.916 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1475835467 OVKKNQMHBDYZAO-AZUAARDMSA-N 449.617 4.516 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)CC1(C)OCCO1 1476017017 CFKRTIHVOLQIGG-OAHLLOKOSA-N 429.904 4.915 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)CC1 1476858191 CZQIGQPXLJDEIP-UHFFFAOYSA-N 436.434 4.659 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1478471556 ADCFGSCNFCMNHA-ICPLQIHGSA-N 435.515 4.671 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OCC2CC2)CC1 1507574373 NPKATTLMRMGRRM-GOSISDBHSA-N 442.991 4.880 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507577409 QLLRTBSJQBLQKJ-IBGZPJMESA-N 443.979 4.505 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C1CC1 1507679862 SDEPMEDRKJIDFF-OALUTQOASA-N 444.023 4.631 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCC1(C)C 1507714244 KIMGUYKZNJFLIX-HXUWFJFHSA-N 426.630 4.791 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1507747494 HOLKIODZMIWZQI-MOPGFXCFSA-N 445.032 4.608 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1csc(C)c1 1507765195 ZTFLHJDAWSLGEY-JOCHJYFZSA-N 428.508 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(Cl)nc1 1507769469 HVTZQSFWLGMMIP-XMMPIXPASA-N 435.959 4.563 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC[C@@H](OCC)C(C)C 1507769641 KZCJHMRXMRNTGS-ATIYNZHBSA-N 438.616 4.917 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN(C)[C@@H](C)CC)CC1 1507882506 USFAOLSZHKXJTH-UNMCSNQZSA-N 425.621 4.922 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cscc2C(F)(F)F)CC1 1507905836 ZQHZJJMXOISQNS-HNNXBMFYSA-N 426.508 4.703 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1507928616 IELVAVHOHZKVIV-HMXCVIKNSA-N 425.552 4.670 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COc1ccccc1OC 1507987163 RSHKCHFHNLUXAC-WOIUINJBSA-N 442.604 4.543 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1507991174 SHUPCNPIHADTBT-WOJBJXKFSA-N 437.632 4.865 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCCN(C)CC(F)(F)F 1507997065 NJUZUZFLLJEHBI-UHFFFAOYSA-N 448.537 4.524 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)C 1507999086 IUMGKJAWEKXXCA-ISKFKSNPSA-N 444.583 4.789 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1(CC)CCC1 1508000306 WNUKQOCJDOSNSV-UHFFFAOYSA-N 426.568 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)OC 1508011160 NHYWBPWDBSIPTO-DFQSSKMNSA-N 432.634 4.876 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1508153314 XODOYSZPGVSFAJ-HNNXBMFYSA-N 442.555 4.768 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl 1508162126 LAMROKOKPFITTJ-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1518562730 GEBHAUTWSSKXAH-VQPPSCEASA-N 431.943 4.683 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccc(Cl)cc1F 1528108828 OCNBAUPWJBWVGA-GOSISDBHSA-N 432.680 4.532 30 10 IJEE C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(C)(C)C 1529123874 QJFQHBQSQWYMPB-UHFFFAOYSA-N 432.973 4.518 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)CCCN1C(=O)OC(C)(C)C 1531384344 ZEJJHUIUSMFFSI-OAQYLSRUSA-N 446.960 4.590 30 10 IJEE C=C[C@@H](CC(=O)NC1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1534304887 GSZSWMAUQDWSGL-INIZCTEOSA-N 426.479 4.795 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)c1ccc(C(F)(F)F)cc1 1534434212 LNZDKYXNTVQVJI-KDOFPFPSSA-N 431.458 4.920 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1538047046 CLELHBOZTDFROC-XMSQKQJNSA-N 427.342 4.775 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](CC)C1 1539500277 WOKJMHJBBBGBHT-HXUWFJFHSA-N 428.671 4.941 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1539519552 KNSPWXPHYNSBSJ-UWJYYQICSA-N 430.568 4.673 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@]1(C)C#C 1539526414 JIQPXLHBCONNHK-RUZDIDTESA-N 436.625 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1C 1539623914 PDLCHVFHDVDBCD-IFMALSPDSA-N 437.975 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)CN1CCCCC1 1539671863 PIBHRSDKFWLPSW-LJQANCHMSA-N 431.575 4.672 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1539701655 NZLNXBWTZUTFQW-WOJBJXKFSA-N 429.609 4.641 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2ccsc2)CC1 1539728498 HMCSGOSMIDUKJN-UHFFFAOYSA-N 438.597 4.992 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCn2cccn2)CC1 1539897034 ZFRAUOWVZHIIHI-UHFFFAOYSA-N 443.020 4.913 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCc2nc(O)c(C#N)cc2C1 1539910652 MEVLUOROQVRCCE-UHFFFAOYSA-N 448.958 4.736 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1539989487 WBEPURLVSGUDPQ-QHCPKHFHSA-N 448.615 4.619 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCCOC1 1540029563 VAQBJECRLJVGBD-LJQANCHMSA-N 444.645 4.731 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNC(=O)C(C)(C)C 1540158991 WDJXFQZTIQPADN-UHFFFAOYSA-N 441.645 4.616 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCS2)C1 1540884397 OQWGVMBPHCKICQ-PWIZWCRZSA-N 449.020 4.748 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCC(F)(F)C1 1541187024 DMESWJBVUJCQJW-QUCCMNQESA-N 443.542 4.752 30 10 IJEE C#CCN(CC)C(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1542259590 GWSXJDDLQUHTIB-OAQYLSRUSA-N 444.575 4.909 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1cccnc1 1542942337 YFARDQLQWIEESV-RUZDIDTESA-N 441.531 4.918 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1OC 1544448488 NPAXNAPNOCFWOI-SHRNQRGKSA-N 433.508 4.763 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(OC)cc1Br 1561066103 IJMKBVWSXRLLJY-UHFFFAOYSA-N 436.780 4.550 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C1CCOCC1 1562351256 QIOWVUUXFAAFKD-HXUWFJFHSA-N 445.441 4.508 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1565688608 DMLNRERANHHOBW-LBPRGKRZSA-N 434.443 4.808 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)COc1cccc(Br)c1 1584641602 HKKUVPCDWHCRSQ-UHFFFAOYSA-N 441.119 4.794 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)C(C)(C)C)cc1 1585443330 NRZFMDIXVPNQID-QFIPXVFZSA-N 444.579 4.900 30 10 IJEE C#CC[C@@H](COC)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1587392979 YBRFNINDSNOFHR-ZDUSSCGKSA-N 436.364 4.529 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](COC)C1 1587723142 ANIYCOYYGKPMLU-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@](C)(C#N)C1 1587745990 FXVIXSOUBFEYIK-OAQYLSRUSA-N 426.362 4.641 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(Cc1c(F)cccc1F)C1CC1 1589097489 QMWODGUGQLODAR-UHFFFAOYSA-N 430.568 4.824 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(CC)C1 1589421593 RYGAMIDNHKWIKX-LJQANCHMSA-N 425.321 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1589503495 DPVSUALYADCWDC-QXOCSCLMSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1C 1589505987 QJNCWLALTABSEL-CPUCHLNUSA-N 437.407 4.739 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1593757667 LWPUSFGRJBGDBE-LPHOPBHVSA-N 441.428 4.543 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCCCN2CCC[C@H](C)C2)CC1 1594122087 JKAAJVLYNVKQST-QHCPKHFHSA-N 437.632 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCOC(F)(F)F)CC1 1594202249 ISRSRCQFXSLQGB-UHFFFAOYSA-N 446.477 4.664 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)c2ccccc2)CC1 1594437367 JEOHQEJHCPHRFS-DHIUTWEWSA-N 437.632 4.736 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1sc(C)nc1C)C1CC1 1595064773 AUNIOGHQHUEFNY-UHFFFAOYSA-N 437.613 4.945 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC[C@H](OC)C(F)(F)F 1595127420 OSFFAGIAEZRZLW-SFHVURJKSA-N 437.441 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)SC 1595184915 GHAKKNLPQFSIIW-ZDUSSCGKSA-N 425.371 4.777 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CCCCC)Cc3ccc(F)cc3)ccc2c1=O 1595307859 FHWZXWYWIKXCRN-UHFFFAOYSA-N 439.556 4.843 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H](C)CC 1595490453 RUYIOCYHHNOFEG-CQSZACIVSA-N 431.993 4.598 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@H]2CCCCO2)C1 1595681822 VBUMRGOIDYBEAX-NHCUHLMSSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCSC[C@@H]1C 1595850807 UIEBOKFAHKPFOT-LBPRGKRZSA-N 445.477 4.630 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)cc(Br)c1 1622609328 JSQWOVBFMGFRFD-IBGZPJMESA-N 438.774 4.804 30 10 IJEE C#CCN(CC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C(=O)OC(C)(C)C 1624593097 BAZXPZLHEDLPME-UHFFFAOYSA-N 444.478 4.688 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 1627429298 ALIFQDBOLPOUEX-IPBJYNAHSA-N 432.545 4.788 30 10 IJEE 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1740879520 IKDKPCNBYUAILJ-PMACEKPBSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCSc1ccccc1 1740893577 PBXYCCLIRHXQFF-UHFFFAOYSA-N 432.391 4.840 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC1(N(C)C)CCCCC1 1740917713 BQJJGOUXHWLZRX-UHFFFAOYSA-N 444.627 4.721 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CCSC1(C)C 1740920181 HINIVGFTNNGQRV-UYAOXDASSA-N 430.593 4.993 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC 1740936772 IMBRDMKPIYNFGD-IBGZPJMESA-N 429.565 4.588 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(N(CC)CC)nc2)cc1 1744317576 IBIIWSNTCPTQHG-IBGZPJMESA-N 431.588 4.535 30 10 IJEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1746034923 GPHFWZWMVZJXMT-GOTSBHOMSA-N 448.615 4.624 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(OC2CCCC2)CC1 1748759319 GGHYULAOKIYPHT-UHFFFAOYSA-N 436.600 4.815 30 10 IJEE C=C(C)Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749208022 XWORBHTVWJJGLW-IZAXUBKRSA-N 429.609 4.808 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)CC 1749215795 FXBKTYZCRQANOO-CQSZACIVSA-N 427.412 4.844 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCn2cccn2)CC1 1749311303 LYZGZDJECBPQOP-UHFFFAOYSA-N 447.370 4.607 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCSC2(C)C)CC1 1749343975 WYPYOLXBTKYGIF-FQEVSTJZSA-N 426.630 4.812 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C)C1)c1ccccc1 1749384445 BPRRLBFAHXAIFB-KZKAQZJJSA-N 438.616 4.782 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1C[C@@]1(O)CCCC1(C)C 1749528711 YVHDZZAPFYLECG-DFBJGRDBSA-N 426.605 4.934 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1ccc(N(C)C)nc1 1749551325 WIGPZZBRMADNPR-UHFFFAOYSA-N 448.571 4.848 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)c1ccc(F)cc1 1749554792 ZPVUGWGTEOSRQO-HKUYNNGSSA-N 426.561 4.979 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H](C)CC)n1CC1CCN(C(=O)OC)CC1 1749584179 ITDXBQMJKXBAGB-FQEVSTJZSA-N 439.604 4.505 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1749760305 HQABFLWQMCDTPI-QGZVFWFLSA-N 446.571 4.535 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1760135810 JVTXBVNDYYJLCV-NRFANRHFSA-N 431.540 4.502 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C(CC)CC)no1 1760167262 HUIPZPXWAMOTRH-UHFFFAOYSA-N 448.390 4.778 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1760207734 UVVPBXQKMADTIZ-RBUKOAKNSA-N 430.474 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1760322522 UBHYARCBBIOTQU-CUYJMHBOSA-N 438.616 4.598 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCc2nccnc2C)CC1 1760396527 FPBAXHIGVQMYAX-NRFANRHFSA-N 446.599 4.778 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCc2cccs2)CC1 1760411534 ASXNEZCQAQFTDE-NRFANRHFSA-N 443.661 4.548 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1760451748 RXRZRUXUURJMPA-AVRDEDQJSA-N 430.543 4.899 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760459394 RTCMVKMTQNJZFT-INIZCTEOSA-N 433.984 4.724 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1c(F)cccc1OC(F)F)C1CC1 1760474968 OKUJWYUMLWBLTA-UHFFFAOYSA-N 449.502 4.577 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CC(=O)N(C)C1CCCCC1 1760485181 VCVKGUQKOJSBID-UHFFFAOYSA-N 439.579 4.668 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1Cc1nnc(C(C)(C)C)s1 1760491731 ROVICAGPNSXDJJ-UHFFFAOYSA-N 428.993 4.974 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](SC)C(C)(C)C 1760495641 TUKKBCNYNRODBE-UXHICEINSA-N 428.602 4.747 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@H](COC)C1 1760562446 JYCYJZDBCNYLEZ-IBGZPJMESA-N 439.629 4.609 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC#N)CC1 1766191086 BHMOSKFDXISWRZ-UHFFFAOYSA-N 447.530 4.739 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1CC1(c2ccccn2)CCC1 1767063322 AZOJQDLFLOUETD-UHFFFAOYSA-N 428.584 4.892 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1771431424 DMTNMKHHWRSOME-MJGOQNOKSA-N 431.556 4.974 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC[C@H]2CCOC2)CC1 1772554745 LTBFQIFGFDWFJA-KRWDZBQOSA-N 431.378 4.537 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2c3c(nc4ccc(F)cc24)CCCC3)c(C#N)c1C 1859643406 AHMVSDAQBAGUDC-UHFFFAOYSA-N 437.496 4.923 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C1CCC(C(=O)OCC)CC1 1860021985 MHQZITLOXLJRFV-HPUBIQBYSA-N 428.356 4.897 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(COC(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c1 1860056669 XVDYMIANYFNAIT-FNORWQNLSA-N 443.330 4.974 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)c1 1860690980 GQTWKHGNQDFRIR-UHFFFAOYSA-N 428.463 4.936 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432466 FNBYIFKVZBEQHU-IBGZPJMESA-N 442.302 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1cccc(O)c1 1862589956 XMKYFGVMFIRKIB-NRFANRHFSA-N 435.863 4.530 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862617842 KKYUJEVLMZKBSD-JLTOFOAXSA-N 427.928 4.597 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(O)c1)c1cccc2ccccc12 1862651792 AZCPEKCISGAERN-HSZRJFAPSA-N 429.472 4.772 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862687182 HMLHRLATQAYPSD-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(F)c(C)c2)C(=O)N(c2ccccc2C#N)C1=O 1863100359 KDVHJNFRHPKVDU-UHFFFAOYSA-N 441.462 4.719 30 10 IJEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1863619255 JGJJYGXEUZELIT-UHFFFAOYSA-N 439.644 4.901 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(F)cc2F)C1=O 1863657231 PNWLNIOBIHCZRE-UHFFFAOYSA-N 449.586 4.727 30 10 IJEE CCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(C2CCCC2)C1=O 1863713999 SZGQXMFROODSNZ-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE CC(C)C[C@@H](C(=O)N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Br)c1 1867196884 DMPFSJKGIJNCGO-FOIQADDNSA-N 442.357 4.594 30 10 IJEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868333544 MRIAPOOWYJMITE-UHFFFAOYSA-N 446.599 4.618 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(-c3ccccc3)n2)cc1 1868377050 VMWWGZQEDCTRHD-HSZRJFAPSA-N 434.503 4.732 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)Cc2cccc3ccccc23)ccc1Br 1870151609 AYIUFHSWLVYNJF-UHFFFAOYSA-N 446.308 4.544 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1CCCCCCO 1870686561 LUZYNNDJGHYSFD-UHFFFAOYSA-N 438.612 4.587 30 10 IJEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(Br)c(C)c2)cc1=O 1870812525 WEWBQJKZYFYKOE-UHFFFAOYSA-N 440.341 4.539 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1ccc(F)c(Cl)c1 1870844792 TUWKIISTALJLGI-UHFFFAOYSA-N 436.911 4.551 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2cccc(Br)c2)cc1=O 1871009135 GDBRGSYCINRPQU-UHFFFAOYSA-N 437.337 4.592 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2C1=O 1871379471 SAWOOSOQTQKLTC-NDENLUEZSA-N 430.437 4.998 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 1871386794 NONTZEUEWRNXHC-OYKKKHCWSA-N 446.455 4.938 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872282099 OJUIAYJHNJVZNC-UGSOOPFHSA-N 444.981 4.771 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872471523 UUWWALHCAYYNAH-QFIPXVFZSA-N 428.598 4.850 30 10 IJEE C=CCOc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2n1C 1873761630 TTXURWOHYPZKLO-QFIPXVFZSA-N 441.531 4.617 30 10 IJEE CCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCCO)cc1OCC 1874408551 CJMZKZDSDUQFLY-JJIBRWJFSA-N 446.617 4.555 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccn2)cc1 1874422111 VENYLEAYWWSUDK-ZVHZXABRSA-N 448.577 4.577 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(F)cc1)c1ccccc1 1874497778 ZYRTZKATJYIKLE-FRQJIFLKSA-N 437.544 4.536 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)C)cc1 1874511745 NDDKTJQZFKEXQO-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE Oc1ccc(/C=N/n2c(S)nnc2COc2cc(Cl)ccc2Cl)cc1Cl 1874569509 ADEZOLDKFHRTAI-IFRROFPPSA-N 429.716 4.694 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2cccc(Br)c2)cccc1OC 1874576098 WQSBSSHXVZJMEU-ZHACJKMWSA-N 433.298 4.686 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NCc3ccco3)c2)cc1 1874596354 UASVKIWLTMATPU-WUXMJOGZSA-N 449.503 4.668 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875102396 TYRGMZQXDADFCQ-XTXLJPNXSA-N 430.884 4.728 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C3CC3)c(OC)c2)cc1F 1875152564 VOIWFVYTBQEZMB-XVNBXDOJSA-N 449.272 4.817 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1C 1875188398 UKSJVEIPBHDNMT-GQCTYLIASA-N 432.432 4.731 30 10 IJEE N#CC1CCN(CCNC(=O)c2cc3ccccc3c3cc(Br)ccc23)CC1 1891833843 CAKOPKMGAMDCJQ-UHFFFAOYSA-N 436.353 4.721 30 10 IJEE N#Cc1ccc(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1951421734 VFLLSBARMOYDHA-HXUWFJFHSA-N 440.499 4.730 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)C1CCCC1 1984693513 CUSUBTLFEOJSIB-RUZDIDTESA-N 445.563 4.844 30 10 IJEE CN(CCN(Cc1ccccc1)CC1CCC(C#N)(NC2CC2)CC1)Cc1ccccc1 2048848897 IZQDHFNBYIFCLW-UHFFFAOYSA-N 430.640 4.825 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2076129272 ANQWHASJCSAYPE-UFPGJGBJSA-N 446.632 4.524 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)c(F)c1 2080077482 FQKQKOWIWDBVAT-ZDUSSCGKSA-N 438.219 4.866 30 10 IJEE CCOP(=O)(OCC)c1c(C(F)(F)F)nn(-c2ccc(F)c(C(F)(F)F)c2)c1N 2080393367 OGWFVJLZYOJUBB-UHFFFAOYSA-N 449.263 4.523 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3Nc1cc(Br)c(C#N)cc1F 2169552216 PBBKNFCAOJNENC-LJZFNELESA-N 436.325 4.516 30 10 IJEE C[C@H]1[C@@H](C(F)(F)F)N(c2ccc(C#N)cc2Br)CCN1C(=O)OC(C)(C)C 2174816366 DBBTYFPPQWDWHS-NHYWBVRUSA-N 448.283 4.697 30 10 IJEE C[C@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180963355 OFSJMNFBLVVDDV-RNODOKPDSA-N 436.350 4.733 30 10 IJEE C=CCN(CC[C@@H](NCCC)c1cc(Br)nn1CCC)C(=O)OC(C)(C)C 2232488009 SWQAFDDJXAAEIY-MRXNPFEDSA-N 443.430 4.910 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1cscc1Br 2261826774 MLVDKEXFVSXIFW-IBGZPJMESA-N 425.344 4.990 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)OC1(C)C 2267267534 KXKYPKGDLYCDCG-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE CC(C)[C@](NC(=O)OC(C)(C)C)([C@@H](N)C#Cc1cccc(Br)c1)C(F)(F)F 2296274529 UUTRQRCWZVNJKR-YJBOKZPZSA-N 449.311 4.610 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296310591 LJXOLONCJDYFCD-FRYIKTPZSA-N 433.390 4.567 30 10 IJEE C=CCOc1ccc(C=C2SC(=O)N(CNc3ccc(OCC)cc3)C2=O)cc1OC 2297578349 WCKUSNZLPQZMGV-UHFFFAOYSA-N 440.521 4.765 30 10 IJEE C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2317347168 SUFREIQJDSALCF-FIFPYPGSSA-N 432.370 4.797 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)o1 2325402097 FUTFVGMHYZWYRT-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc(Br)c1 2327144729 GWNQWEPAYUSPSR-UHFFFAOYSA-N 445.386 4.965 30 10 IJEE OCCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(Cl)c1 2328091444 YGNXAMYREWKLFL-UHFFFAOYSA-N 435.380 4.727 30 10 IJEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccccn1 2329342885 UQISWPRHUDWONL-UHFFFAOYSA-N 433.512 4.704 30 10 IJEE CCSc1nnc(COc2ccccc2)n1N=Cc1cc(Br)ccc1F 2329901996 MZPVHYIBBFAWTL-UHFFFAOYSA-N 435.322 4.753 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCCO)cc1OCC 2330871832 XIPAZCSUDMIQAQ-UHFFFAOYSA-N 448.633 4.801 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2C)c1 2331108931 QRKYXNBXSJJRQK-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 2331362193 HVZPLKWGPSAIQV-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE C[C@@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-])c1ccccc1 2331442529 FARKAPGZNJAVBK-MRXNPFEDSA-N 445.427 4.929 30 10 IJEE CCOc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2331443926 OJXROWOWUCMDCP-UHFFFAOYSA-N 439.541 4.958 30 10 IJEE CCOc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2ccccc2)c2ccccc2)cc1 2332190637 DLAJLBKCSGPEOF-UHFFFAOYSA-N 435.487 4.717 30 10 IJEE CC[C@H](NCCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338515968 IEAYUNMPCFULKA-FQEVSTJZSA-N 446.441 4.720 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339588162 DTRZANFOFZRUNQ-IEBWSBKVSA-N 444.381 4.751 30 10 IJEE CC1(C)OB(c2cc(Oc3ccc(Cl)cc3Br)ncc2F)OC1(C)C 2345738945 KERTYWIOPOFAPI-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE COc1ccc(OC)c(/N=C/c2c(O)c(OC)cc(Br)c2Br)c1 3066659 NVDIJHILBKFJOG-UFWORHAWSA-N 445.107 4.694 30 10 IJEE CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc(C#N)cc3)sc2c1 10583128 HSPNXEDSNLJWDN-UHFFFAOYSA-N 431.521 4.500 30 10 IJEE COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc(OC)c1OC 20882692 TYHXOIADXLIZDD-ICSRJNTNSA-N 449.547 4.840 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1OC 34955421 SMJSXYNBJLAVHA-ZSOIEALJSA-N 448.471 4.836 30 10 IJEE CCCCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2cccc(OC)c2)cc1 45940621 SYXMXCIDSMUKQP-UHFFFAOYSA-N 432.524 4.667 30 10 IJEE CSc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1 65034344 OFSZNXRYRZJUIG-UHFFFAOYSA-N 434.540 4.500 30 10 IJEE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101109909 RORYPVRNDIGEBY-CFRMEGHHSA-N 439.368 4.657 30 10 IJEE CC(C)c1ccc([C@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)cc1 102505594 NVXOZJGJEZJESP-FEYWKWKCSA-N 432.520 4.540 30 10 IJEE O=C1/C(=N\NC(=S)Nc2ccccc2F)c2ccccc2N1Cc1ccccc1Cl 102768675 RGLMTYRVEDKRLY-QOMWVZHYSA-N 438.915 4.717 30 10 IJEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccc(C)o4)[C@@H]3c3ccco3)sc2c1 102910172 HHYLVBKPOFMBRJ-HQMFNGAOSA-N 434.473 4.979 30 10 IJEE CCN(CC)c1ccc(/C=C2/CCC(/C=N\Cc3ccncc3)=C2N2CCOCC2)cc1 105867863 HVMKTNUVAYZHMS-SPJSVAIPSA-N 430.596 4.962 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1F 169936591 QXOZSCQKVIXPLN-QFIPXVFZSA-N 428.529 4.527 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccnc2)cc1C 170012840 RVUILINPKGFBCB-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccncc2)c1 170014836 QUBOLUVVKSPGEE-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170214848 WCTONFSQSXTUIA-UPCLLVRISA-N 447.531 4.930 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170234478 XXQJLFAXEGJOPL-JOCHJYFZSA-N 434.455 4.827 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2)c1 170241346 IUMHZLUAPREXBL-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170279364 GFGXMDUWPLCVJG-QFIPXVFZSA-N 428.444 4.875 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2CCC)c1 170324242 KVMLIJXWMLAEBE-OAQYLSRUSA-N 441.911 4.902 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1cccc(O)c1)c1ccncc1 170387996 CHDDIHBPEWVBSI-IBGZPJMESA-N 440.377 4.589 30 10 IJEE O=C(CCC(=O)OCC(=O)c1ccccc1)Nc1ccc(C(=O)/C=C\c2cccs2)cc1 211410176 BSDWEWHWFMCPGH-SEYXRHQNSA-N 447.512 4.789 30 10 IJEE CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2ccc3c(c2)CCC3)o1 254845160 IHTUMOQNOTVFPF-UHFFFAOYSA-N 436.459 4.952 30 10 IJEE CC1(C)OB(c2ccccc2COc2cc(Br)cc(F)c2F)OC1(C)C 380221533 JIZNPXKOVNCOOL-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 460541954 HLMKYTABCBHIJB-ZJSXRUAMSA-N 446.551 4.889 30 10 IJEE FC(F)(F)Cn1cc(CN2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cn1 467520331 HRAMPKUHWJBDMU-UHFFFAOYSA-N 425.348 4.805 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cn2cc(-c3ccccc3)nn2)cc1Cl 474176330 LJWLHNLHUCQZBW-OAQYLSRUSA-N 427.895 4.893 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 504864679 RYQHIADFPKUIMT-UHFFFAOYSA-N 434.418 4.693 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 509000867 ZGNMXNCCKZZFPF-MRXNPFEDSA-N 449.342 4.522 30 10 IJEE COc1ccccc1[C@H]1C(c2cccc(OC)c2OC)=C(O)C(=O)N1c1ccccc1C#N 526606316 DNJWDDBIQPOYNA-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE C=C(C)Cn1c(N2CC[C@@]3(C2)OCc2ccccc23)nnc1C(F)(F)Oc1ccccc1 559010399 BECFAITUGSYHTK-QHCPKHFHSA-N 438.478 4.618 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N[C@@H](c3ccccc3OC(F)F)C(F)(F)F)C2=O)cc1 582221208 CGCJLSJCDUHHHV-AEFFLSMTSA-N 439.384 4.548 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)s1 586510525 XMBSILAYJFXZIH-UHFFFAOYSA-N 434.366 4.501 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccccc2Sc2ccc(Br)cn2)c(F)c1 609229264 BJJNSMMYVHJJTJ-UHFFFAOYSA-N 442.313 4.936 30 10 IJEE C=CCC1([C@H](N)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 722924531 ZVMWQDJUTIPQLJ-MRXNPFEDSA-N 429.786 4.786 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1cncc(F)c1)c1ccc2c(c1)OCO2 731961248 MWDQWDLQWLQGDF-YFHOEESVSA-N 432.451 4.761 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 745234790 XFTSQVQHJFLANE-NBHGPNQESA-N 426.463 4.564 30 10 IJEE C=CC[C@H](c1ccncc1)N1C(=O)[C@H](c2ccc(Br)cc2)N(C(C)C)C1=O 761271482 ZMJOJAWYOOHIDE-MOPGFXCFSA-N 428.330 4.875 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCOc1ccccc1OC 802564085 CZCPNEFBFHWTBE-URXFXBBRSA-N 448.567 4.623 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](c2ccc(C)cc2)C1 802569810 DOVUVIVYJPPENZ-HSZRJFAPSA-N 445.567 4.583 30 10 IJEE CC1(C(=O)OCc2noc(-c3ccccc3)n2)CCN(c2ccc(Cl)cc2C#N)CC1 805596561 PSKBKMQVGCKFOK-UHFFFAOYSA-N 436.899 4.612 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1 812883121 QBWXTEFYUTVUGJ-AREMUKBSSA-N 438.506 4.911 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1ccc2ncccc2c1 839974450 SPGZEYRECICGSI-HXUWFJFHSA-N 438.350 4.516 30 10 IJEE CCNC(=O)CCSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084063933 MBXGWOGREAGOHN-UHFFFAOYSA-N 442.548 4.766 30 10 IJEE Cc1cccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)c1 1084234052 WPXYRNRSHUKDMF-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3cccc(OC)c3o2)c(C(=O)OCC)c1C 1124819828 SXHBHDMHKZQPCV-UHFFFAOYSA-N 443.477 4.583 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)s1 1125041941 DFCVZWCZAWYXMD-KRWDZBQOSA-N 430.083 4.711 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H](COCc3ccccc3)c3ccccc3)C2)c(F)c1 1126274736 DTGYDGVDBPGZCM-UKILVPOCSA-N 443.522 4.598 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(Br)c(OCC)c(OC)c2)cc1 1128036483 NQDHANXIODELRI-UHFFFAOYSA-N 435.339 4.939 30 10 IJEE C#CCSc1ccc(COC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 1128037751 WYEBUBGPTNIBQB-UHFFFAOYSA-N 425.531 4.910 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1136937218 ACXFZSZMQPSOOJ-SFHVURJKSA-N 442.903 4.720 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl 1140471392 DRWRWRYCBZZZRN-UHFFFAOYSA-N 448.947 4.920 30 10 IJEE C=CCOc1c(Cl)cc(CNC2CC3(C2)CC(NC(=O)OC(C)(C)C)C3)cc1OC 1179824518 BYHFHPOGGFPNEO-UHFFFAOYSA-N 436.980 4.839 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(-c2nc(C)cs2)cc1)c1ccc(Br)cc1 1190716379 SELBGQNRPAFALA-SFHVURJKSA-N 447.379 4.534 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 1199786922 KDOMQGOAYYLLRH-HOYKHHGWSA-N 429.561 4.943 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 1200402878 PXTJRBDGGQKSFU-IZZNHLLZSA-N 443.522 4.627 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)cc(OC)c1OC 1225350551 MNFDGDHMZRCDSW-IBGZPJMESA-N 428.504 4.673 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccc(F)cc1 1230478552 JWHUPULRVNXWBM-LEWJYISDSA-N 443.563 4.567 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 1252449708 UMGYRYYJTCKADW-BDTNDASRSA-N 438.955 4.781 30 10 IJEE COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc2c1OCCO2 1264095725 AYHOGJDEKUFPHD-AWEZNQCLSA-N 426.538 4.803 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@@H](F)C1 1286282354 PFFZTXCTOOYSPA-GZBFAFLISA-N 439.760 4.957 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCC(C)CC1 1286314169 LHRRGUDCIGZKNV-UHFFFAOYSA-N 442.007 4.680 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1OCC[C@H]1C 1286423094 IRTADCLWQNWZGK-WIYYLYMNSA-N 448.567 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC1CCOCC1 1286438545 YKSNRFWURVWBBP-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCC(C)(F)F 1286454005 DVOQUWCOEWFZRE-UHFFFAOYSA-N 433.865 4.818 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1286506815 OECKDMZEYFICKF-GOSISDBHSA-N 438.519 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCSCC(F)(F)F 1286527866 KPNSTWIPEULZMW-OAQYLSRUSA-N 447.530 4.569 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286547906 QPKRVVXDWPNZGH-VBQJREDUSA-N 443.539 4.885 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1286551922 JURZVRQPBMYCOE-DXKRWKNPSA-N 437.588 4.755 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCC 1286603461 TWECRNCOWDKWTE-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1286634626 YTXCWYPBPOEJRF-DOTOQJQBSA-N 427.515 4.647 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)CC1 1286663507 MYMZQUUWGOARJG-QFIPXVFZSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCCN(CCC)C(=O)C1 1286668898 XAUKILLKQMEQEH-UHFFFAOYSA-N 435.572 4.742 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1286677903 LZCAKJTVIDCEGP-GMAHTHKFSA-N 430.600 4.873 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1cnccn1 1286693876 DREDPGXHUAFPHE-UHFFFAOYSA-N 447.768 4.754 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1=CCCCC1 1286740396 LFTHKEDFJZMSHN-UHFFFAOYSA-N 446.599 4.841 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@H](C)C1 1286742462 ZSPLLGTXIJNNMM-NFBKMPQASA-N 426.568 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccsc1 1286756616 PFRWYRGQCUNYED-UHFFFAOYSA-N 446.580 4.524 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(I)c(C)cc1C)c1ccccc1 1289586715 MJBAYIKRQBJBEE-QHCPKHFHSA-N 439.318 4.761 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 1294985541 SXXWVLQHRSLOPG-MAUKXSAKSA-N 446.523 4.611 30 10 IJEE CO[C@H](C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(CC#N)CC1 1299545007 BRRMARGWHHGBHQ-LJQANCHMSA-N 425.577 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCS1 1300276002 DSRYXWYHFVSGLE-YJYMSZOUSA-N 437.382 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)C(=O)OC(C)(C)C 1300282690 PVHCIMUPRSOKDA-SFHVURJKSA-N 439.604 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1300284489 SPTDOEBMPWWJDS-RRMPHLOHSA-N 431.378 4.513 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1300437956 ATAMNRKHGPSJHG-UHFFFAOYSA-N 430.581 4.673 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1300601629 JLVQIQMWLNSRHO-RLSLOFABSA-N 441.595 4.527 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1=CCCCC1 1300657345 XHXHAUJNFUDNCJ-UHFFFAOYSA-N 443.389 4.602 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@](C)(O)CCC(C)C 1300786676 HFUFANGXNBVRKT-WVQWTBLQSA-N 442.579 4.737 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1300876596 UMRCNTFQNAMMFL-MZYLBHOOSA-N 442.579 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1301155090 HBPQWMAYOQZBJM-QFIPXVFZSA-N 431.584 4.718 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1C(C)(C)C)c1ccccc1 1301167958 IJNWEZURWAQECL-YADHBBJMSA-N 431.584 4.988 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1301183546 ZHRIEVPVHNLIEX-UHFFFAOYSA-N 436.516 4.586 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCCCC1=O 1301278459 MHGOEWPPIBILHN-UHFFFAOYSA-N 441.645 4.690 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)c1ccc(F)cc1 1301310098 KPERZHFXVBSOMD-POAQFYNOSA-N 443.567 4.614 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2Cl)C1 1301327927 LYNRJQCWFOTMKI-MRXNPFEDSA-N 448.972 4.578 30 10 IJEE C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1=O 1310360370 DBIRVPJCJIKBFN-BFUOFWGJSA-N 448.420 4.590 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(Br)cc2nc(C)oc12)C(C)C 1310589593 PWCZYNIDILOYLN-SFHVURJKSA-N 435.366 4.719 30 10 IJEE C#CC[C@H](NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)OC)c1ccccc1 1310926784 DIQKNHTYOBTBKI-QFIPXVFZSA-N 428.488 4.938 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H]3CCN(C)[C@H]3c3ccc(Cl)c(F)c3)cc21 1311251459 CGKPSISHWSHQHQ-JTSKRJEESA-N 441.938 4.829 30 10 IJEE C#CCN(C(=O)N[C@@](C)(CC)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1311266826 AXJFXPVTJIYUPC-PBHICJAKSA-N 433.268 4.649 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 1352621523 SLRGHEQGQSXWMR-XMMPIXPASA-N 448.563 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1ccsc1 1358878152 RQWFIHAVHSPULU-SYJLOODJSA-N 440.638 4.559 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cscc1C(F)(F)F 1358940825 NTKGVNJXAQGQEU-UHFFFAOYSA-N 441.482 5.000 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCO[C@@H](C)C1 1358970958 BVERZAMMTIBAPR-IRXDYDNUSA-N 438.984 4.701 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCS1 1358982516 ZUVZMHGFCJFHBE-OAQYLSRUSA-N 436.625 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1359071055 BLPKZIGUUSGFDP-UVWWXKGLSA-N 438.591 4.841 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N(C)CCCc1ccccn1 1359080607 XWFNGYKTJURMGO-UHFFFAOYSA-N 446.780 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)CC(C)C 1359095858 SVOIDPOKDHLFRB-URXFXBBRSA-N 449.599 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccnc(SC)c1 1359109831 QEOBDQIBRIOQSX-UHFFFAOYSA-N 439.585 4.530 30 10 IJEE C=C(Cl)Cn1c(N2C[C@@H]3CCC[C@@]2(C)C3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359157554 MXTXOJMHIXUJGG-FSNCLGKMSA-N 436.000 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccc(Cl)nc2)CC1 1359168937 NTTAPGNJJKKDHK-UHFFFAOYSA-N 439.947 4.509 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)N(C)C2CC2)CC1 1359173483 HGOGBFVGQJGJOZ-CTNGQTDRSA-N 437.632 4.920 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CCc2nccc(C(F)(F)F)n2)CC1 1359176577 GIHIGRZFTUDZDV-UHFFFAOYSA-N 442.489 4.707 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCC[C@H]2CC)CC1 1359180024 OSOGUAVZSDTDLY-HSZRJFAPSA-N 425.596 4.675 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1359218547 MXGISJSXFLNCTD-QFIPXVFZSA-N 449.643 4.504 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CCOC)CCC1 1359233900 UZLNORFNJWJOBL-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCc1ncc(CC)s1 1359234731 ZBVXOUPWBCJBJO-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1nnc(C)s1)C1CC1 1359247109 SKLRUPBSSYVVFH-AWEZNQCLSA-N 444.992 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C 1359264097 UMTGQQXBMUBIEW-ROUUACIJSA-N 432.659 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC[C@H]1C 1359264701 MUSKYQRQECUNAK-IEBWSBKVSA-N 428.627 4.857 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)C 1359275320 QBHVTURVAPQYGS-UPVQGACJSA-N 433.600 4.960 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(Cl)cc2)C1 1359315846 CUXPTBFFGKSJGG-IBGZPJMESA-N 444.366 4.671 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCS2)C1 1359325463 FZYJAWPDWMFBSY-ICSRJNTNSA-N 430.643 4.556 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H]2CC(=O)N(CCCC)[C@H]2c2ccc(OC)cc2)c1 1359822324 HMUWMRPGGIJLNV-ZCYQVOJMSA-N 436.552 4.979 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)cc1 1360166366 AJIZVLYMBGBCNW-UHFFFAOYSA-N 433.817 4.868 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C)Oc3cc(Br)ccc32)cc1OC 1438014242 CDRFTVZCCGQMLP-WGPYJDKQSA-N 444.325 4.850 30 10 IJEE C#CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)[C@H]1CCOc2ccc(Br)cc21 1458195363 LJULZOKAYAQQOV-INIZCTEOSA-N 446.301 4.503 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1471591086 PMSMAGKLMMZQPI-NZQKXSOJSA-N 439.600 4.746 30 10 IJEE CCN([C@@H](C)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 1475517332 AUFLLNZYEJENSB-ZDUSSCGKSA-N 430.879 4.872 30 10 IJEE CC(C)C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccc(Cl)cc1 1477988108 AWBRBDGYMMFFAI-OAQYLSRUSA-N 428.939 4.970 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@H](F)C1 1504876696 AKSOQYVAFIQHHX-TZIWHRDSSA-N 437.519 4.509 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCCC2)CC1 1507557080 NRYAGMKYNNSPCY-HSZRJFAPSA-N 449.643 4.903 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1507573893 KRLPKPZOPOXSOZ-FQEVSTJZSA-N 441.595 4.529 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(F)(F)F 1507761861 SOGWJURCVIYOEK-HXUWFJFHSA-N 431.487 4.931 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CC(F)C1 1507793318 CYFWPSUUTDUDLW-ZFZVPDIOSA-N 436.934 4.903 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1 1507795489 LIQFFHVQSHCUDP-RXVVDRJESA-N 425.964 4.710 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OC(F)F)CC1 1507906196 HZZLLZCWZKLYDZ-UHFFFAOYSA-N 425.483 4.701 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCS1 1507998526 CPEDHOHVAVNRAZ-NRFANRHFSA-N 430.581 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCC[C@@H]1C 1508014109 VZGLAVRHHJDSGT-INIZCTEOSA-N 448.384 4.509 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508046627 DQSNOUYLQYDAKO-GOSISDBHSA-N 439.604 4.874 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1 1508152103 IEWDGTFEOVFBJV-INIZCTEOSA-N 437.009 4.606 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(Cn2cc(Br)cn2)s1 1520344868 BLXBPABIUNHOAV-UHFFFAOYSA-N 430.371 4.974 30 10 IJEE C#CCOc1ccc(NC(=O)c2cc(I)cc(C(F)(F)F)c2)cc1 1521562969 VDGQTMLNFFOFEL-UHFFFAOYSA-N 445.178 4.574 30 10 IJEE C=CC(C)(C)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 1525859529 OAJWRAGWQDMFNX-ZJSXRUAMSA-N 436.552 4.517 30 10 IJEE CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1529906363 ARONOJPEOGWMGH-IBGZPJMESA-N 434.540 4.757 30 10 IJEE N#Cc1cc(NC(=O)CSc2cccc(Br)c2)ccc1Br 1534575291 HRFLYTQKUQNLBF-UHFFFAOYSA-N 426.133 4.814 30 10 IJEE C=CCC[C@@H](C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC)c1ccccc1 1536267558 WXYRXOOPPHMMGH-MRXNPFEDSA-N 427.444 4.677 30 10 IJEE CC(C)(NC(=O)COc1cccc(Br)c1C#N)c1ccc(C(F)(F)F)cc1 1536878011 GIOLXLUYDYIPCB-UHFFFAOYSA-N 441.247 4.770 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1539132611 OQHREHICMQBDJE-PMACEKPBSA-N 426.992 4.757 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cccc(C(F)(F)F)n1 1539344587 CTQIPQKYGWJUSB-IBGZPJMESA-N 427.474 4.742 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ncc(CC)s1 1539378328 XQOOZTDJUGHDOG-UHFFFAOYSA-N 437.613 4.816 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCCCCC1 1539566572 MMXYQWADYAPVNV-RUZDIDTESA-N 436.600 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C[C@H]1CCCO1 1539912418 IFCGOJUFFLLHDQ-JOCHJYFZSA-N 434.588 4.738 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1540034111 WMHYSSJEQKYBCW-QGZVFWFLSA-N 427.499 4.717 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccsc1)N(C)C)C1CC1 1540111868 PPLXKQLMKULZNR-OAQYLSRUSA-N 425.577 4.527 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1CC(F)(F)Br 1540119351 CARSFVOUJHSQAF-AWEZNQCLSA-N 438.320 4.844 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@]2(CCCOC2)C1)C(C)C 1540152083 PIFZJZNRIQJAKS-BVAGGSTKSA-N 441.664 4.641 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1555844902 DCDDFRMLMJVRMA-OXJNMPFZSA-N 439.610 4.883 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(NC(=O)c2ccc(C#N)cc2F)cc(C(F)(F)F)c1 1556394759 BGCNKZVAYNFESO-UHFFFAOYSA-N 437.393 4.993 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1OC 1560486764 PXRYVDKRCVGNQE-KRWDZBQOSA-N 444.728 4.638 30 10 IJEE C=CCOc1ccccc1CNS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 1561261416 HFNBEFQXGGINMF-UHFFFAOYSA-N 433.476 4.527 30 10 IJEE C#CCN(C(=O)c1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C)C1CCCCC1 1584124863 OGKVTJJFXHXTGS-UHFFFAOYSA-N 445.629 4.974 30 10 IJEE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1587496034 CFEZHMLGPZWWGH-HFZDXXHNSA-N 425.532 4.530 30 10 IJEE Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1587913712 GCOYQOUOPHJPQB-UHFFFAOYSA-N 442.523 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1588297917 MGROYTLYYFMNPF-QGZVFWFLSA-N 445.995 4.561 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCC1 1589150682 IRZIKBFPJQJAQC-WZONZLPQSA-N 442.991 4.595 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(Cl)cc1 1589163609 LRSFGMWRNSYBOX-HXUWFJFHSA-N 444.764 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(C)=C(Br)C1 1589559936 VNYYIAQNULGMMQ-RXVVDRJESA-N 449.437 4.871 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCc1ccc(OC(F)(F)F)cc1 1589668791 CJLQKFGFLXLIOZ-UHFFFAOYSA-N 445.489 4.808 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](CCC)OC)CC1 1594070464 GVXRWPBEOGNMSF-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1594114524 CINKKPFHRZCFCL-UHFFFAOYSA-N 449.521 4.746 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1594431190 ZXOXUKJCCQAGFJ-JOCHJYFZSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CNC(C)=O)CC1 1594455341 OXFMXXNPDUOSOH-HSZRJFAPSA-N 437.632 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(N)=O)C1 1594455564 RTBAKTSBVRAGGH-CQSZACIVSA-N 444.004 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 1594504508 VGBIWLBEFQWOCE-UHFFFAOYSA-N 445.007 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C 1594529395 SPWCKFWKJVSRNL-LJQANCHMSA-N 429.653 4.653 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)S[C@H](C)C1 1594794060 YVTDBOZMYJUMPS-IYBDPMFKSA-N 437.009 4.530 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)N(C)C 1596798233 GLLANGCOGWIIOB-HRAATJIYSA-N 447.002 4.844 30 10 IJEE N#Cc1ccc(SCC(=O)Nc2cc(Br)ccc2OC(F)(F)F)cc1 1598310402 BWVLMELJTYVZFT-UHFFFAOYSA-N 431.233 4.950 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1615366749 GDPONPQDKLQIPY-AVRDEDQJSA-N 447.612 4.557 30 10 IJEE CCCCCCCCc1ccc(OCCOCCOCCOC[n+]2ccccc2)cc1 1615944730 LHMFRAPELGTZRT-UHFFFAOYSA-N 430.609 4.963 30 10 IJEE C=CCOC[C@H](NC(=O)c1cc(-c2ccc([C@H](C)CC)cc2)nc2ccccc12)C(=O)OC 1617951536 WAMFVBQCGHKFKS-CJAUYULYSA-N 446.547 4.889 30 10 IJEE Cn1cc(CN[C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1621244912 AWDIWYIXLSDABD-MZYLBHOOSA-N 449.599 4.617 30 10 IJEE N#CCc1ccccc1S(=O)(=O)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 1622211661 CMFYICZBHBBUHP-QFIPXVFZSA-N 440.952 4.642 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1C#N 1624973617 GOCBEQBLRKLAQK-MRXNPFEDSA-N 435.450 4.820 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 1626165157 CXYJZIFATWFCSU-LJQANCHMSA-N 448.441 4.551 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C 1626172492 SQKXHOXXWFYBAO-CQSZACIVSA-N 441.366 4.988 30 10 IJEE C=CCn1cc2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2n1 1626671301 MAJQANNDWXMFEQ-UHFFFAOYSA-N 425.901 4.657 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)C(=O)OC(C)(C)C 1633927142 AQNRGNXUVBJYBI-UHFFFAOYSA-N 448.445 4.653 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C 1634790162 SFNXUIXRVJKSOF-UHFFFAOYSA-N 442.288 4.655 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)c(F)cc1Br 1636037585 PKXQTFXRXZEYTL-MRXNPFEDSA-N 447.320 4.593 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1637561694 MUAOJDPWGYHWBC-QYXIYQDXSA-N 436.637 4.927 30 10 IJEE CCn1c(SCC(=O)[C@@H](C#N)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640709442 FLSIHWUHGBYNET-PBHICJAKSA-N 437.590 4.571 30 10 IJEE C=CCCN(C)[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)c1ccccc1 1642744296 NDQSODMMOAUYLR-NRFANRHFSA-N 426.582 4.991 30 10 IJEE C=CCn1c(SCCCN2CCN(c3ccccc3)CC2)nnc1-c1ccccc1F 1643491647 QFUPEFDWVKOQBW-UHFFFAOYSA-N 437.588 4.575 30 10 IJEE C#CCN1CCN(C(=O)c2ccc(N[C@@H](C)c3cc(Cl)ccc3Cl)c(C)c2)CC1 1648424900 CSGHCQVNZWZXQA-KRWDZBQOSA-N 430.379 4.866 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OC2CCOCC2)c(C)c1 1650737896 MYIPLZBTYSUEGB-UHFFFAOYSA-N 430.342 4.939 30 10 IJEE C#CCOCCSc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CC[C@@H](C)C3 1651566136 CCJNWWOOGIVHHC-MRXNPFEDSA-N 438.618 4.931 30 10 IJEE C=CCn1c(SC[C@@](C)(O)C(F)F)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1651599468 NSMJPMLZDMAQRX-HXUWFJFHSA-N 440.512 4.867 30 10 IJEE C=CCOc1ccc(-c2nnc(SC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)o2)cc1 1652715065 UKBIWIIKLJIYSE-WBVHZDCISA-N 431.558 4.897 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@@H]1CCN(c2ccc(Br)cc2)C1 1656916487 CYIWCJWECVJQCJ-INIZCTEOSA-N 433.777 4.731 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CC1 1665839490 LVODKZVLAWYVQB-UHFFFAOYSA-N 447.457 4.893 30 10 IJEE COc1ccc2c(c1)CN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CCO2 1668008587 GTNZFQIRGYSCCR-UHFFFAOYSA-N 443.503 4.767 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@H]1CCOc2ccc(Br)cc21 1668910735 IXXIGJOMNKJMJE-YTXYEVPYSA-N 431.374 4.886 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(Cl)cc1 1677274116 IGTWBBPMXAYWCT-QRWLVFNGSA-N 446.776 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 1680127103 NZOXZBCFKKMCGU-WMQCIHAUSA-N 447.348 4.958 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4cc(C)cc(Br)c4C3)cc2n1 1680704503 XIPMJLYDDICXSB-UHFFFAOYSA-N 425.330 4.883 30 10 IJEE C#CCN1CCC(NC(=O)N[C@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1 1680881029 RQGSTLAXPCPBPK-OAHLLOKOSA-N 435.515 4.892 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1681783172 FKTVYYPHMQZGEC-MSYCTHLASA-N 435.515 4.813 30 10 IJEE C#C[C@H]1CCCCN1C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1682827663 KZRIHAPPBSCTHE-HKUYNNGSSA-N 427.545 4.833 30 10 IJEE CC(C)COC(=O)N1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1686076927 GNOAIHRRYDQXRZ-FQEVSTJZSA-N 448.567 4.796 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccnc(SC)c1 1689864787 IHKSGQRMMSICKH-OAHLLOKOSA-N 444.029 4.847 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1689933353 LCBIKWOFKDKQDE-UHFFFAOYSA-N 444.423 4.912 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CC)CCCC1 1689949765 QRWORQZEXIUKGL-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCCC1(F)F 1690085827 HCYZZBQLSBBOKA-KRWDZBQOSA-N 434.556 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1cccc(SCC)c1 1690209116 KTNMCRGZUTUMDN-HSZRJFAPSA-N 437.638 4.786 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](CN(CC)CC)C1 1690279541 OUWNCQRGSANPSO-GOSISDBHSA-N 446.437 4.760 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1F 1690287616 KHSVTQCSDMHZMH-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2c(C)nn(C)c2C)CC1 1690364120 JYENOOFKIKIICY-GOSISDBHSA-N 440.979 4.627 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1690437491 FRBRUPIGFSZCRG-UHFFFAOYSA-N 448.615 4.885 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)OC1CCCC1)c1ccccc1 1690446968 IJODQYSCTGVVME-QFIPXVFZSA-N 434.588 4.810 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1690451914 SNXXMROGRVUTCV-QHCPKHFHSA-N 435.616 4.768 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1c(C)noc1C)C1CC1 1690537591 QDAVILGVQIGRTQ-QGZVFWFLSA-N 425.508 4.560 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1c(F)cccc1Cl 1690573756 CHDAHUBJTCFCDC-UHFFFAOYSA-N 447.967 4.511 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1CC1=CCCCC1 1690573971 KMZSDUUWLXALOZ-HSZRJFAPSA-N 428.602 4.685 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CCN(CCC)CC1 1690633183 OBJOEFDLWTWMSN-UHFFFAOYSA-N 432.410 4.513 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@@H](F)C1 1692820818 FVIBMBHAABTMKK-XKGZKEIXSA-N 429.515 4.825 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N)OC 1693952665 CKHUEIYKSHTQTF-LNLFQRSKSA-N 429.634 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(SC)CCOCC1 1705481387 FVQRIHAKOYNWBU-KRWDZBQOSA-N 444.670 4.646 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@](C)(O)[C@@H](C)CC 1705502305 DUGVOXBFDKJSLA-ZYLNGJIFSA-N 426.605 4.544 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705515782 MJYHZZDZZIZQBL-ISKFKSNPSA-N 441.664 4.804 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1705530147 JWLWEUSKHNFUGR-FGZHOGPDSA-N 434.613 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCN1CCCC(C)(C)C1 1705668911 WWGWWSNQJYUGIH-YIXXDRMTSA-N 433.644 4.934 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1705783650 OOVKXRFECILQAY-JOCHJYFZSA-N 437.975 4.707 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1705791992 KEVQYYOJBSYNFS-QUCCMNQESA-N 428.577 4.855 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCO[C@H](C)C1)c1ccccc1 1705797709 AWYDHEHMWQYBEW-NQIIRXRSSA-N 437.613 4.609 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N1CCCCCC1 1705870975 SMEVLDVUZXXLDV-UHFFFAOYSA-N 427.980 4.570 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CCC)CCC2)C1 1705915770 GNZBDLIPJLEWKW-KRWDZBQOSA-N 448.409 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC[C@@H]1CCO[C@H](C)C1 1722475720 GPSJQWSPIZLBDO-XLGIIRLISA-N 436.600 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCOc2ccccc2Cl)nnc1C(C)(C)C 1722500844 NIXLYMZBRJHFHQ-XLIONFOSSA-N 432.996 4.725 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](COCC)C1 1722548569 KZURAOKVHYPEBZ-OAHLLOKOSA-N 439.785 4.713 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1722638905 RSVRJPDTJYHCRO-NHCUHLMSSA-N 448.615 4.980 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@H]1C(C)C)C1CC1 1722648906 YNDOGOMVPKTWTI-UZLBHIALSA-N 445.405 4.924 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@H]1CC(F)(F)CO1 1722661251 YJCNNXVRKMYRNN-SFHVURJKSA-N 448.514 4.686 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCOCC2(CCC2)C1)C(C)C 1722668086 YXIXKQBKZILEHH-JOCHJYFZSA-N 443.680 4.572 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCSC(C)C)C1 1722710581 LDKKGEWVBLKOBP-IBGZPJMESA-N 437.613 4.725 30 10 IJEE CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1723170875 AQRGQLXDXIEFQK-OZXSUGGESA-N 434.632 4.834 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H]1SCCc2ccccc21 1723390032 ATZLIRYHZWVJPZ-UNMCSNQZSA-N 439.629 4.579 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)o1 1724291876 GKLROGUJGRWFMJ-GMAHTHKFSA-N 433.556 4.806 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C)c1 1730759876 HSFRGNFTKLRUBC-LJQANCHMSA-N 449.624 4.855 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1730760819 BLKRKVCBRYJMOV-CVEARBPZSA-N 439.457 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H]1CCCSC1 1740543536 QVPZPAGYEFNTTH-RBUKOAKNSA-N 442.629 4.734 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC(F)(F)F 1740555919 DGALTIMHCUALPJ-MRXNPFEDSA-N 438.494 4.539 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1740585694 ZVTFPDLNFFVVEN-INIZCTEOSA-N 427.911 4.655 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOC(F)(F)F 1740602701 ZGKRHWNZZGSZIN-UHFFFAOYSA-N 428.867 4.809 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1nccs1 1740650049 NKALSZMUVGRENV-UHFFFAOYSA-N 449.649 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CSCCS1 1740767262 RXMZLKKKOBYSQE-LPHOPBHVSA-N 436.622 4.808 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1740778139 JSXUPRFKUZGMAF-IAGOWNOFSA-N 430.325 4.554 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740807931 SDYIDUPIZBTEQL-HNNXBMFYSA-N 447.345 4.600 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=C)Br)CC1 1740835368 FDLROLIEFPJHRJ-UHFFFAOYSA-N 439.304 4.858 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740868139 FKQWCHUSXWJNHJ-UXHICEINSA-N 442.007 4.844 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCN(C(C)C)C1 1740928443 HSZIWUDZQADYBA-OAQYLSRUSA-N 430.600 4.792 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1740970298 IXNOSEGQBVUBIX-ZWKOTPCHSA-N 426.458 4.804 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1742868246 DCIHAILRCMSFDW-KZNAEPCWSA-N 448.571 4.620 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(C)CCCS1 1743723895 GNGTZLNXWXQEDU-CYFREDJKSA-N 438.645 4.666 30 10 IJEE CCC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C#N)CC2)CCC1 1744311851 BYRHGTXMKJCMOM-IBGZPJMESA-N 442.608 4.670 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](OCC(C)C)C2)CCC1 1744312855 HVYQVCDJYKQCRM-JOCHJYFZSA-N 437.588 4.560 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1748701312 GLGJYXBMRPJAHD-YTQUADARSA-N 444.421 4.865 30 10 IJEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC[C@@]2(CC=CCC2)C1 1748762042 FABZRGNACWEDFR-SANMLTNESA-N 434.584 4.996 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCOC[C@@H]1C 1748834475 POEXZOSSHBMRRD-AZUAARDMSA-N 448.567 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(OC(F)F)c1 1749056766 SHBOFEHFDLLAEP-JOCHJYFZSA-N 443.885 4.635 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 1749234344 DVSLMFMXIGMQJV-UHFFFAOYSA-N 436.522 4.825 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(C)(C)C)C1 1749234510 GCMQGMJRFHNZSV-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1749368478 KGDNCXDGVQEAOY-UHFFFAOYSA-N 436.604 4.855 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCc2cccc(Br)c2C1 1749402830 STYQZWPTGCILFC-SFHVURJKSA-N 445.405 4.854 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H]1C 1749528488 RQXWYBDVQPVERG-LJQANCHMSA-N 435.572 4.532 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1OC 1749552501 DEIBJLLMEQKRKR-YLJYHZDGSA-N 443.642 4.703 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccc(C)s1 1749617740 KXJJHNMHVUWWPM-UHFFFAOYSA-N 433.375 4.909 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCCC1 1750888548 BWNKTEDSEBDSOI-UHFFFAOYSA-N 432.572 4.701 30 10 IJEE C[C@@H]1CC(Cn2c(Cc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1752025176 AKDLSFWNDBTXCQ-QZTJIDSGSA-N 442.007 4.856 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(C)CCCS1 1760197216 XYZWTXFXYKASFN-AREMUKBSSA-N 443.620 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC 1760288386 ATNYBRIZGZQOPA-FDDCHVKYSA-N 430.980 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCCSc1nccs1 1760292699 HONIDACSYAKLHZ-JOCHJYFZSA-N 439.610 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccsc1)N(CC)CC 1760294519 ZJLRWGBJTWBJRT-PQNGQFLHSA-N 441.645 4.656 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1760368105 UIXHHFVQMAWOGF-STQMWFEESA-N 425.733 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760410141 UYYXODNHUGEQOU-UHFFFAOYSA-N 449.584 4.679 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OC(C)C)CC1 1760426578 XPDUDBNACJEAHJ-UHFFFAOYSA-N 434.588 4.881 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760458538 KHMXRWNJLRNAHX-CYBMUJFWSA-N 448.320 4.758 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1(SC)CCC1 1760477951 PJCCCIIVIWHKIX-UHFFFAOYSA-N 435.597 4.827 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CCOC)CCc1ccccc1 1760508048 CYXOZRVRVLCVLN-UHFFFAOYSA-N 447.402 4.651 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C 1762644127 HDCUFANKPUEEBT-INIZCTEOSA-N 436.560 4.620 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1762722083 DUXKJJZNQOGJIY-SCTDSRPQSA-N 429.515 4.646 30 10 IJEE CO[C@](C)(Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N)C1CC1 1769535622 GULQDONFBUIVKP-XCGNWRKASA-N 431.968 4.625 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccc(F)cc4)nc3c2)nc1C 1859737068 KUMIPBCSNAYMOV-UHFFFAOYSA-N 437.452 4.994 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1ccccc1Br 1860731591 XMACRTXBBAFRGB-SOFGYWHQSA-N 427.067 4.572 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc([N+](=O)[O-])cc1 1862419356 RETDZQQEWATBSD-LJQANCHMSA-N 430.407 4.642 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1c(F)cccc1Cl 1862506033 VNAGKJQZBBFJQI-LJQANCHMSA-N 435.854 4.541 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862564818 JJEFQOXRNXBIQN-HSZRJFAPSA-N 434.536 4.969 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(OCCCCC)cc1 1862634016 INZUZACROHANGL-HSZRJFAPSA-N 449.503 4.749 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862672585 DPSKEUBOKMMYPA-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(F)c2)c1 1862702685 JJFVYPWBTAGVMK-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(F)cc2)cc1 1862735111 BWIOPBIZAOIANQ-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 1862744824 VUDWBQJRROGADS-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE COc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c1 1862790046 SPGMLTULYYRUJY-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CCCc3cccc(F)c3)CC2)nc(C(C)C)n1 1869092879 IRGBLIKJSQXDFI-UHFFFAOYSA-N 437.607 4.672 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)s1 1871425695 MZLFEGMYSVABMW-HRVJUDJTSA-N 449.532 4.821 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871922824 DIQOGKGFBMCCHN-AUSIDOKSSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1cccs1 1872170756 FNLXZOJPUGFXFS-KRWDZBQOSA-N 436.599 4.521 30 10 IJEE C=CCNC(=O)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 1872886173 KZVLCLBGIJTVEW-UHFFFAOYSA-N 425.576 4.510 30 10 IJEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203371 MTIZBFIHCODWJC-UHFFFAOYSA-N 433.895 4.517 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc3n[nH]cc3c1)n2CCCC 1873657092 XJUWYYUVWFQHAX-UHFFFAOYSA-N 429.528 4.538 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1cccc2ccccc12 1873675611 GRTFZABKGSMGOR-UHFFFAOYSA-N 425.513 4.619 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874215887 GYCUNRLVSZHZSP-HYARGMPZSA-N 445.932 4.846 30 10 IJEE COc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)cc1OC 1874233643 UDSUWVSVTLEWPD-PCLIKHOPSA-N 432.549 4.838 30 10 IJEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c(F)cccc1Cl 1874244492 AMZOKBQDKLVIFX-DHRITJCHSA-N 448.995 4.796 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874274254 PSQVIFACUORRRY-LSPPGFKNSA-N 443.617 4.566 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(F)c1 1874454164 CURWKFGNUQHMLW-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874484399 UFRUHOILISZKTF-YDZHTSKRSA-N 434.009 4.652 30 10 IJEE CCSc1nnc(CC(C)C)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874487831 IIGSLVVWGPNNIK-BUVRLJJBSA-N 438.553 4.699 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)Nc1nccs1 1874583883 LCPDPYOUGBHYSB-QPJJXVBHSA-N 446.887 4.858 30 10 IJEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 1874619230 QHJRDCQMSYACMZ-VQHVLOKHSA-N 427.453 4.862 30 10 IJEE COCCOCC(=O)Oc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC 1874715823 NLFZTVURYCQQJC-DHZHZOJOSA-N 440.536 4.766 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1[N+](=O)[O-] 1875127644 PYUMRAGSQHNPNH-OUKQBFOZSA-N 447.443 4.656 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)C[C@H](C)C#N 1963187426 BZJDFFAQDHKKLD-HHJKRLRDSA-N 447.579 4.948 30 10 IJEE C#CC[C@H](C[C@@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2019972387 JHHOCCWFTJIMEK-JQYIIUTOSA-N 427.585 4.631 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035459699 GOFPWKXZQIBAKP-LOSJGSFVSA-N 436.596 4.907 30 10 IJEE CCN(CCCOCc1ccccc1)Cc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 2035661670 URKUAJXKKZQWJH-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE Cc1cc(C)c([C@@H](n2nc(C)c(C=NO)c2I)C2(C)CC2)c(C)c1 2079958803 RMCVOOXFRWRYNH-QGZVFWFLSA-N 437.325 4.919 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 2124402157 XBTIOEAXHJDWEP-KRWDZBQOSA-N 429.399 4.631 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 2145541393 MGGSHBQQHLDBQS-OALUTQOASA-N 441.385 4.806 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1ccc(Br)cc1C#N 2181052263 DHPADHVTXDYGLM-INIZCTEOSA-N 438.366 4.931 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)Nc1ccc(Br)cc1C#N)C1CCC1 2181105069 HFOFWBMCLXPZJL-OAHLLOKOSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181146189 LFDICOWGIKZMDI-QRWLVFNGSA-N 436.350 4.733 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)cc1)c1ccc(F)cc1Br 2185181735 GYMIFUASNKBEOF-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Br)nn2C(C)C)C1 2232455286 LPWKDNQGDNTILP-KRWDZBQOSA-N 441.414 4.881 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 2235715620 BRTUMUYVIQBLNU-QRFRQXIXSA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235717694 BHHUDVFBFXTOSR-PKOBYXMFSA-N 435.406 4.816 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2235718773 FBCBUWDYKPSWMG-PGRDOPGGSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2235719027 FFXZCYPBADEJDE-QZTJIDSGSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2248830725 GNHHHDSBXATJRK-YJXLLHPSSA-N 434.541 4.509 30 10 IJEE CC1(C)OB(c2csc(C(=O)Nc3ccccc3OCc3ccccc3)c2)OC1(C)C 2255842830 XXYNIRKBVRUXDP-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296221044 FDOFKNHTNPPBJN-RTBURBONSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2ccc(Br)cc2)C2(CCCC2)C1 2296277715 VTOYGPAISPBQPU-SFHVURJKSA-N 432.358 4.797 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 2296280979 GIWHIAQHVHZWND-JQVVWYNYSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C 2296296157 KRYWXBLWPCERLJ-IAGOWNOFSA-N 445.348 4.669 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296300398 HMHSWSZUDAXIEO-RTBURBONSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 2296310464 KCOILHMCHXHIDT-RBUKOAKNSA-N 449.414 4.586 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN3CCCCCC3)C1=O)cn2C 2296595925 XQEGIQXNSJOPGI-UHFFFAOYSA-N 432.520 4.885 30 10 IJEE COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccccc2)C4=O)c(OC)c1 2297639975 XRYLMGCWWZCPDO-IBGZPJMESA-N 428.440 4.761 30 10 IJEE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)(C)O)C[C@@H](O)C[C@@H]1O 2297732182 WFZKUWGUJVKMHC-LFGNEKGJSA-N 432.645 4.676 30 10 IJEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 2313602065 ACSXSHJTBKRGFH-UHFFFAOYSA-N 426.933 4.690 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OCCC)nnc2C2CC2)cc1 2320915317 PIOXDPLSGCTAHU-UHFFFAOYSA-N 430.574 4.652 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1Br 2323628493 RENSFKKGHOYYQG-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CN1CCC(N(C)Cc2c(O)ccc3c2OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)CC1 2324034996 FSDUNVDBBUERFJ-UHFFFAOYSA-N 434.580 4.832 30 10 IJEE COc1cc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)ccc1O 2325448654 UEJGNMNUDSQSPK-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE COc1cc(C=Nn2cnnc2SCc2cccc(C)c2)cc(Br)c1OC 2326373211 BYIZNJQKKKQGLM-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccco2)c1 2328638887 WFPFKOJAVAZHBA-UHFFFAOYSA-N 436.512 4.979 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)cc1 2329247042 DZVUFIKCOGZEEQ-UHFFFAOYSA-N 431.565 4.699 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 2329750738 ZIHXILFPGDUKFY-UHFFFAOYSA-N 432.524 4.931 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2cccs2)cc1 2330469922 ZHSMLYXCJSNMGU-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 2330989935 YGZRFNJEBCBHLN-SFHVURJKSA-N 443.916 4.866 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2O)c1 2331037156 MOJUAAYZDBNKIT-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)COC 2331814587 RDGSLGKSKLRYLU-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CC#CCN(C[C@H](NCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 2337910980 RUGMWWOZDYRUEZ-INIZCTEOSA-N 427.358 4.808 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@H](N)C#Cc3cccc(Br)c3)CCC[C@H]21 2360194133 IKYLAZYELWNESY-VNTMZGSJSA-N 433.390 4.554 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C[C@@H]2C(=O)C#Cc2cccc(Br)c2)C1 2360195679 AMKVCOJBAUXKTG-LMMKCTJWSA-N 432.358 4.653 30 10 IJEE CC1(C)OB(c2ccc(CSc3ccc(Br)cc3N)c(F)c2)OC1(C)C 2369001925 YOPARXXNMVSUES-UHFFFAOYSA-N 438.171 4.762 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1176532 QEJKSXGMRYAGGU-RQZCQDPDSA-N 429.881 4.612 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)c(OC)c2)cc1 20885722 JGPXRRYISQOZEH-TZIWHRDSSA-N 449.547 4.885 30 10 IJEE COc1ccc(OC)c(/C=C\C(=O)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1 34954228 KIFHLGVAEJDUMQ-YHYXMXQVSA-N 432.428 4.548 30 10 IJEE COc1cccc(/C=C\C(=O)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 34955562 CAMVDAAGPYVQDY-JYRVWZFOSA-N 448.471 4.836 30 10 IJEE COc1cc([C@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1ccc(C)cc1 35531289 OYABYFKUCKZELG-VQIMIIECSA-N 427.547 4.797 30 10 IJEE C=CCc1ccc(OCCCCn2c(CCCNC(=O)C=C)nc3ccccc32)c(OC)c1 40210111 MLNFEVJIKVHMAF-UHFFFAOYSA-N 447.579 4.867 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N[C@@](C)(C#N)C(C)C)cc1OC 84409594 LMWUMRDOGAEDCQ-FIUWIIBXSA-N 444.535 4.624 30 10 IJEE N=C1[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)SC(=O)[C@H]1/N=C/c1cccs1 100394889 UUNVBPYJLJANGV-RKJFNQGUSA-N 426.350 4.533 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 102628524 WBLHVGDVQJVGJI-UGUGFTGJSA-N 447.462 4.859 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 102735912 RUIAUKSAMPMNPW-RKKARLDVSA-N 448.906 4.674 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 111830574 SGHVDFMXKJBMAX-OILJVOJPSA-N 436.552 4.507 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930701 ZOJRDIIXAPAGPM-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1F 169975753 DPGVPQDHUQAFLY-QFIPXVFZSA-N 438.543 4.572 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(C)c1 170140687 BQMNFMFOWJSCKE-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170193583 FORRIVDZKHQBSX-IBGZPJMESA-N 440.286 4.562 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)c1 170231132 PTJBOWNQKJIITF-HSZRJFAPSA-N 428.488 4.647 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1 170261699 WRLVQRAUBUEAMG-NRFANRHFSA-N 441.911 4.965 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1C 170274275 LFSKRGQISKAYBH-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccco2)c1 170278703 ZWCSHZPNDMDYBG-QHCPKHFHSA-N 429.472 4.950 30 10 IJEE Cn1cc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccs2)c2ccccc21 170415539 FBGOAKWJYGNTCZ-OAQYLSRUSA-N 432.501 4.654 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccc(OC(C)C)cc3)nc2c1 170474568 SFWYPOWAQARBNC-NRFANRHFSA-N 433.508 4.784 30 10 IJEE CSCC[C@@H](Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)NCc1ccccc1C 248143683 GLRWBPHCIQBFRH-HXUWFJFHSA-N 436.606 4.840 30 10 IJEE Cn1c(Sc2cc(C#N)c3cc(Cl)ccc3n2)nnc1[C@H]1COc2ccccc2O1 301936388 UNRDIOVGMPEXGN-GOSISDBHSA-N 435.896 4.552 30 10 IJEE N#Cc1cc(Sc2nnc(-c3cnccn3)n2Cc2ccco2)nc2ccc(Cl)cc12 301959409 PGTGWYXKAPXWEZ-UHFFFAOYSA-N 445.895 4.601 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCC 407841326 ZKZFETFATKHRLQ-SJORKVTESA-N 429.374 4.968 30 10 IJEE N#CCCn1ncc(C(=O)NCc2cccc(COc3ccccc3)c2)c1-c1ccccc1 428918035 ACTPGJDVWIWCGD-UHFFFAOYSA-N 436.515 4.973 30 10 IJEE CC(C)Oc1ccc(NC(=O)c2cc(O)nc3ccc(Br)cc23)cc1C#N 435356373 GCKKQVKGQAJKFU-UHFFFAOYSA-N 426.270 4.614 30 10 IJEE N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 435795991 USQSUZAAYALWFS-CYBMUJFWSA-N 433.320 4.828 30 10 IJEE C[C@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](c2ccco2)C1 440836646 VGIXMDRHSVDQCD-LPHOPBHVSA-N 434.496 4.615 30 10 IJEE N#CC1CCC(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)CC1 441132612 FWIZBGOLQCBBDI-KTTTXJKPSA-N 429.564 4.613 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)nnc1-c1ccc(Cl)cc1 470618623 KZSCEFZBLWYSHO-DOMZBBRYSA-N 444.910 4.676 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 475548551 BZBVPEUCAQCRHB-QHCPKHFHSA-N 425.548 4.873 30 10 IJEE Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s1 503040886 XMBTXWQMQNAXKP-NRFANRHFSA-N 433.961 4.896 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OCC2CCCC2)CC1 508832372 JWRYRFINEPAWCN-UHFFFAOYSA-N 430.980 4.872 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1ccccc1OC 514240404 BHLVNYKYUOCXBI-UHFFFAOYSA-N 444.354 4.877 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@@H](CCOC)C1 518010062 ARTFSTHOZQTSGU-IBGZPJMESA-N 428.577 4.570 30 10 IJEE CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 518491909 KKGLQZAIOYNWGA-HSZRJFAPSA-N 433.552 4.716 30 10 IJEE C=CCCCN(C)C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 522951115 KXXUYKCAFZDGDB-DHLKQENFSA-N 436.552 4.613 30 10 IJEE C[C@@H](N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 538161907 FGAAZFHXLWDEHD-CHWSQXEVSA-N 437.487 4.727 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCc3nc(O)ccc32)cc1OCC 553398061 IIVHYIJZPIHOGT-KRWDZBQOSA-N 433.346 4.680 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 555267223 RLZNZJNFZZYLIR-IBGZPJMESA-N 447.370 4.622 30 10 IJEE CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 559081163 QMRXDDCZGDMZKF-UHFFFAOYSA-N 437.494 4.799 30 10 IJEE Cc1nc(C2(NC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CCCC2)no1 579158967 FCRHDTPSVKURSD-UHFFFAOYSA-N 435.459 4.559 30 10 IJEE C=C(CC(=O)/C=C/c1ccc(F)cc1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585825920 MTKXUFILYKJXAH-FMIVXFBMSA-N 449.570 4.798 30 10 IJEE CCCOc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CCCc3ccc(C)cc3)CCN2)cc1 585840750 RNEMLCKXZNGIGG-WOFURICOSA-N 448.607 4.626 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@H](C(C)(C)C(=O)OC)C1 619742969 HHSGDTKDAGODPH-KRWDZBQOSA-N 436.478 4.566 30 10 IJEE Brc1ccc(I)cc1N=C1N[C@H](C2CCC2)CS1 717649950 QIWSVVGSLGTGQU-LBPRGKRZSA-N 437.144 4.546 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 724091932 MIKQXWCREZBJJH-IFXJQAMLSA-N 435.487 4.763 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(C)c(F)c1 742213620 KWWRNDFVMFRVSS-HXUWFJFHSA-N 441.503 4.647 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 744839094 FYEPIAQQFRSLBT-YCRPNKLZSA-N 439.899 4.893 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(F)F)cc1 799218499 HCFDUXAPKQMZGN-SFHVURJKSA-N 447.507 4.885 30 10 IJEE CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 801650023 MCODTZCLRBTMHE-UHFFFAOYSA-N 440.569 4.822 30 10 IJEE C=CC[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12)c1ccncc1 805314470 GQAIUMXRNWIMHY-FTJBHMTQSA-N 435.527 4.874 30 10 IJEE C#Cc1cccc(NC(=S)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 811709421 ZVZMKKCABPDDDP-PXNSSMCTSA-N 429.383 4.573 30 10 IJEE C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916719610 FQPUKCRJXAEDBZ-JJEKXKKKSA-N 442.585 4.505 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(-c3cccnc3)n(-c3ccccc3C(C)C)c2=S)C1 1116539416 UTKCKWGMEKZWKK-HXUWFJFHSA-N 435.597 4.823 30 10 IJEE C[C@@H](OC(=O)COc1cccc(Br)c1C#N)c1nc2ccc(Cl)cc2n1C 1126630428 IEHRLCXQCOMNAN-LLVKDONJSA-N 448.704 4.544 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1Br 1127253649 CQMNBULOBABAHX-UHFFFAOYSA-N 444.510 4.754 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccc2Cl)on1)[C@@H](Cc1ccccc1)C(=O)OCC 1128112015 PSBNOVPMGBYJHO-NRFANRHFSA-N 438.911 4.798 30 10 IJEE Cc1cc(NC(=O)c2ccccc2OC(F)(F)F)c(C(=O)NCC(F)(F)F)cc1F 1129365083 IDXMXGLVCMSUER-UHFFFAOYSA-N 438.299 4.577 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](N3CCCC3)C[C@H]2C(C)C)s1 1159151181 PCURJGPQSWILMV-SJORKVTESA-N 428.067 4.560 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 1166815647 RCAGWCYJTFRZQG-DHIUTWEWSA-N 443.632 4.605 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCc3c(F)ccc(Br)c3C2)cc1 1170709697 DBPZGUTWOUCADR-MRXNPFEDSA-N 444.348 4.590 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 1182509124 SUYATOAQZQFIQH-GOSISDBHSA-N 432.992 4.964 30 10 IJEE C#CC[C@@H](NC(=O)Nc1cnc(-c2ccc(Br)s2)nc1)c1ccccc1 1219240861 BPMRDCMMBUJUMY-OAHLLOKOSA-N 427.327 4.854 30 10 IJEE C#C[C@H](NC(=O)NCc1cccnc1Oc1ccccc1OCCC)c1ccc(F)cc1 1224033581 SJPLMQLNITYBCM-NRFANRHFSA-N 433.483 4.976 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)N(CC)CC)CC1)c1ccc(C(F)(F)F)cc1 1224643259 SYZRDADTUPFCJF-LJQANCHMSA-N 440.510 4.502 30 10 IJEE C#CCN(C(=O)NCCCCCCSC)[C@H]1CCOc2ccc(Br)cc21 1226123266 OKPZQWODOAABIT-SFHVURJKSA-N 439.419 4.841 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1230498372 CHHVJGXLWUJTLX-INIZCTEOSA-N 441.247 4.864 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(F)c(F)c1 1234555999 NVHGHVXGRVEADI-IEBWSBKVSA-N 448.819 4.985 30 10 IJEE C=CCOc1cccc(NC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)c1 1264784582 CWSWQRONZBOUEV-QFIPXVFZSA-N 435.524 4.807 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 1272483327 FDLIJNBVBYQUDB-NRFANRHFSA-N 426.472 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1ccsc1)N(CC)CC 1286282576 ODYPMZCPYWHHNN-PGRDOPGGSA-N 437.613 4.556 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCC1CC(OC(C)(C)C)C1 1286303417 IVGQYDYLLZFEIR-VWRAKTAISA-N 438.616 4.514 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1ccc(C)cc1 1286379858 DRVTYDSYRWVOOR-CTNGQTDRSA-N 437.588 4.532 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1Cc1cn2ccc(C)cc2n1 1286454575 KSGFSRWUHBBBMC-IBGZPJMESA-N 430.531 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1286578242 CDSMMSAGZOYNSZ-CPJSRVTESA-N 427.612 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CC12CCOCC2 1286582476 BLCGHMYLXMGICW-SFHVURJKSA-N 430.980 4.730 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1286586047 UUIWIFMYHMINNN-WMQCIHAUSA-N 428.552 4.917 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)[C@@H]1C 1286588321 BEIUNYCOFWJGAR-QWHCGFSZSA-N 425.371 4.753 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCc1ccccc1 1286623072 BLWKJEZKOVDEIS-UHFFFAOYSA-N 434.769 4.857 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN(C)C2CCCCC2)CC1 1286641478 ZEMHXMMMOGIMEB-UHFFFAOYSA-N 429.012 4.805 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(=O)NC(C)C)cc1)C1CC1 1286734515 BVGAAENSUMCRQY-UHFFFAOYSA-N 434.544 4.580 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1286777407 YPTCASVBVJFFLM-FCHUYYIVSA-N 437.632 4.696 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2cccs2)C1 1286805477 SNKUSYITNQEMCO-SFHVURJKSA-N 446.523 4.632 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC(C)(C)OC(C)(C)C1 1286834820 JZBNUAKXACLYKC-UHFFFAOYSA-N 444.645 4.787 30 10 IJEE C#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CCCc2ccccc21 1289233259 NHDXKMFVPXQUDS-JOCHJYFZSA-N 434.337 4.788 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1291081630 DVEPGCHMFKIVEQ-KKVAFCGZSA-N 432.341 4.586 30 10 IJEE CC(C)(C)c1nc(CN2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)cs1 1292214985 DKNYOQDOMJZPHI-UHFFFAOYSA-N 437.396 4.577 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 1294180634 LROUBXDSTDTFDE-HSZRJFAPSA-N 434.486 4.817 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(N(C)C)c1 1300605841 AOAGWBYXEIVPSP-GOSISDBHSA-N 433.625 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(C)C 1300786426 GLLKTKPUWVRZJU-NVNZTLJMSA-N 440.563 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCOCC(F)(F)C(F)F 1300788862 OMBTWCUHUIQPAT-LJQANCHMSA-N 444.860 4.508 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1300872171 FQEUPJQRWKMIIG-SVOTWOFTSA-N 430.637 4.947 30 10 IJEE C=C(Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCCCC)CC1)c1ccccc1 1301008209 YEMWKZHTUDZRRO-UHFFFAOYSA-N 446.599 4.509 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1301166579 XKWFTABPMUNXEY-ZEQKJWHPSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cccs2)CC1 1301207385 VJUJQKRRCNJBED-UHFFFAOYSA-N 428.005 4.948 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)N1CCCCC1 1301281593 RLOSAWQQKFAIER-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE CCC[C@](C)(O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N 1306523475 BPKILGMAWJVYQT-IXFSTUDKSA-N 448.011 4.978 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@@H]1C1CC1)[C@H]1CCOc2ccc(Br)cc21 1312857813 ZOQNAXUZTWHHKN-HQRMLTQVSA-N 431.374 4.744 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1oc(CC)nc1C)c1ccc2c(c1)OCCO2 1351532652 UXKODTUPXDPXFT-UHFFFAOYSA-N 434.492 4.728 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)c(C(=O)OCC)c1C 1352311917 NFVNOJSKNHAOKQ-ZDUSSCGKSA-N 433.501 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCc1sccc1C 1358997018 BAYMMEPPIOOALI-UHFFFAOYSA-N 432.593 4.549 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ccc(C)s1 1359053303 ITQPEGRMSOXMRU-UHFFFAOYSA-N 433.606 4.866 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCN1CCCC[C@@H]1C 1359074173 UFILPXFIFMQYKP-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C1CCCC1 1359093301 LZUUZDHKCLXNCY-HNAYVOBHSA-N 448.409 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1ccncc1Cl 1359115561 DYSCZVSBLRHJQB-UHFFFAOYSA-N 425.964 4.973 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1359143291 XNZPDIQYUXHAHI-LJQANCHMSA-N 432.996 4.621 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN(CC)C2CC2)CC1 1359181742 GJINQXTZJFVPFA-UHFFFAOYSA-N 425.646 4.766 30 10 IJEE C=CCCCn1c(N(C)Cc2ccc(F)c(Cl)c2)nnc1[C@]1(OC(C)C)CCOC1 1359221355 YUTJGTKSKQUQDF-QFIPXVFZSA-N 436.959 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(=C)C 1359263036 NNLTUNCVYWUPNT-UGKGYDQZSA-N 435.597 4.884 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1([S@@](C)=O)CCC1 1359268341 MPOGIXHXCHHYLS-NOVUIFNWSA-N 444.670 4.611 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC1(SC)CCN(C)CC1 1359277396 LANGGMPXXPPJFM-UHFFFAOYSA-N 445.677 4.522 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C(C)C)C1 1359284538 WBSDPMMLPNWKIE-MRXNPFEDSA-N 425.371 4.611 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccsc1 1359309829 FLDZLUNSIWEYKZ-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)N1CCCC1=O 1361274560 AZFYLPOGRNPOQA-NRFANRHFSA-N 445.441 4.955 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cl)cc1Br)c1ccc(Br)cc1 1436652152 WZVMZUWXTLZFPN-HNNXBMFYSA-N 427.523 4.969 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1C#N 1450008018 AWDHIZUAIARDGX-UHFFFAOYSA-N 441.944 4.700 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)cc1OC 1452964595 YJQGUZNHKOGYPB-FYGXRCCRSA-N 436.335 4.772 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F 1455230058 ZXZAAFFREUTRTO-WMZOPIPTSA-N 447.375 4.535 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1455388939 AXISAYTZWQDQTR-UHFFFAOYSA-N 430.476 4.676 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)C(C)(C)CO2)[C@H]1CCOc2ccc(Br)cc21 1456444021 GJTPYBBHENETEL-IBGZPJMESA-N 440.337 4.718 30 10 IJEE C=CCOc1c(Br)cc(CNCC2(c3ccccc3OC)CC2)cc1OC 1461136150 HGLPLWJGRCINDK-UHFFFAOYSA-N 432.358 4.853 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 1465385849 HHBDBTVIDFXIEP-JOCHJYFZSA-N 441.409 4.922 30 10 IJEE Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1465493334 BUEXHVKFTKTFEJ-UHFFFAOYSA-N 431.927 4.936 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 1466855627 RCMNMFGYUGWIRD-UHFFFAOYSA-N 432.911 4.826 30 10 IJEE N#Cc1ccc(OCC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cc1Br 1467260541 DHWDSCQXCLNUCN-KCZVDYSFSA-N 439.353 4.884 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1csc(-c2cccc(Br)c2)n1 1468479801 UDIDQIZLAIFBSF-KRWDZBQOSA-N 433.371 4.641 30 10 IJEE CC(C)(CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1c(Cl)cccc1Cl 1468667308 CEANNYIPGACGAC-UHFFFAOYSA-N 431.367 4.674 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1471202732 BBZZQUABEAMVGH-BWKNWUBXSA-N 443.588 4.505 30 10 IJEE C=CCn1c(SCCOc2cccc(C#N)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472908287 WBYXMHVIIWODLU-HNNXBMFYSA-N 437.590 4.812 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(CC)cc2)nc2cc(Cl)ccc2c1=O 1472911571 NGRJEWZAWQZEFC-CQSZACIVSA-N 427.957 4.918 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCOc1cccc(Cl)c1Cl 1477571760 QIRCWYVBRNKVRF-UHFFFAOYSA-N 425.360 4.938 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1 1478669903 PLZQMCULLDXYLZ-UHFFFAOYSA-N 442.494 4.719 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC2(CCCCC2)O1 1507666729 KPTDGDYLCZQTKS-FQEVSTJZSA-N 436.987 4.943 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCC1(COC)CCC1 1507764123 KDZCUJIDYITBMM-HSZRJFAPSA-N 444.526 4.745 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCO[C@H](C)C1 1507779414 AVNXKXMSOADMRL-GFCCVEGCSA-N 446.176 4.776 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1507828244 YIRDKLYYKBQCGZ-NHCUHLMSSA-N 440.588 4.857 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(Cl)nc2C1 1507926668 VOWKPWSERKYGNX-UHFFFAOYSA-N 429.355 4.961 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1507940295 YRVFHDCLJYOSKT-AVRDEDQJSA-N 437.613 4.957 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1507943743 LGTRDOIGHOGUOO-MRXNPFEDSA-N 440.523 4.599 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(COC)CC1 1507958979 FTWAKHRSDKIXIG-UHFFFAOYSA-N 436.959 4.583 30 10 IJEE C=CCCOCCn1c(CC2CC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1507965037 JSZLLEFZOZKZJK-MRXNPFEDSA-N 445.405 4.710 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1508006363 CMWYXMRKJYREEH-ONTIZHBOSA-N 443.661 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1OC 1508015091 JRILGEUKCAWYQY-MJGOQNOKSA-N 431.378 4.701 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CCC1)CC1CC1 1508061380 OSWQXXBTDKKXRP-FQEVSTJZSA-N 429.609 4.595 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCCC2)c1C 1510373566 IGAAVUITTVHAOD-DENIHFKCSA-N 438.620 4.507 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C 1521258309 BRUNSZBGXXYIOK-IBGZPJMESA-N 428.298 4.839 30 10 IJEE COc1ccc2c(c1)nc(CNC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)n2C 1523544623 FJEDVPHBUVJVRN-UHFFFAOYSA-N 446.894 4.829 30 10 IJEE CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(C(C)(C)C)c1 1529236006 AEHPHUWRJRUAPB-HSZRJFAPSA-N 447.623 4.897 30 10 IJEE N#Cc1ccccc1OCC(=O)Nc1cccc(C2CCN(Cc3ccccc3)CC2)c1 1529695776 CQRHSJIXCMINSB-UHFFFAOYSA-N 425.532 4.955 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1nnn(Cc2cccc(Br)c2)c1CCC 1531441672 QUHSSDYVWPPWRP-UHFFFAOYSA-N 433.394 4.764 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 1532322930 JBNANBQBEKBJNE-UHFFFAOYSA-N 428.487 4.540 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)c1 1537141447 KWKLAVGGTROTJH-UHFFFAOYSA-N 437.948 4.962 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)c1ccccc1 1537452410 AYPYLPZSGFQERQ-HKBQPEDESA-N 440.565 4.713 30 10 IJEE C=CCc1cc(C(=O)Oc2cnc3c(Br)cccc3c2)cc(OC)c1OC 1538143956 KTUWSQNTHCFLKP-UHFFFAOYSA-N 428.282 4.962 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)cc1OC 1538350646 OIUXBWINMLOPOX-XYOKQWHBSA-N 436.552 4.942 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1 1538703780 DAQJMUGXNMUCAZ-UHFFFAOYSA-N 449.503 4.926 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCC[C@@H](COC)C1 1539102101 SUGFYLJJQGVQHX-RBUKOAKNSA-N 426.630 4.798 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)[C@@H](C)CC 1539161387 LJKKQRLMHWVEEZ-QMHKHESXSA-N 426.561 4.679 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CCSCC 1539628552 RGGAXHRNESFIBO-DYXWJJEUSA-N 429.634 4.598 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)CCC(C)C)CC1 1539896200 JMDCAKDKPFVBEB-DNRQZRRGSA-N 432.653 4.786 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N(C)C(C)=O)CC1 1539989063 OEWIGZVIWDABFO-UHFFFAOYSA-N 436.387 4.665 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1540007237 LMCJJVHMCVDGQG-QFIPXVFZSA-N 446.624 4.931 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCCN1CCCCC1 1540134128 OBOBWEAAOKTHFQ-UHFFFAOYSA-N 434.563 4.548 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@H](C)C1 1540158397 GHWPTZVISUHERE-IAGOWNOFSA-N 431.378 4.701 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1CC1(O)CCCCC1 1540180462 OINWLSMVGAPCKV-UHFFFAOYSA-N 436.625 4.861 30 10 IJEE C=CCn1c(SCC(=O)N2CCO[C@@H](C(C)(C)C)CC2)nnc1-c1ccc(Cl)cc1 1540255390 XKOVDMJVRZMVQM-GOSISDBHSA-N 449.020 4.540 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@@H](C)c2ccc(OC)cc2)C1 1540887477 XXMYICIOLLMAPR-GCJKJVERSA-N 436.556 4.830 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 1543967919 FEPGYXOCXKOSSE-KKSFZXQISA-N 443.906 4.686 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CN(C(=O)c1ccccc1)c1ccccc1 1544465758 SBKOOMSMAKGHLX-UHFFFAOYSA-N 430.552 4.716 30 10 IJEE CCCN(CCC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1547140090 CYWMEPCHPITFHW-PMACEKPBSA-N 440.661 4.659 30 10 IJEE COC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)C[C@H](C)C#N)CCCC1 1554722259 BEYAXWVYEAEPAL-HXUWFJFHSA-N 439.604 4.844 30 10 IJEE C=CCn1c(SCC[C@H]2COC(C)(C)O2)nc2scc(-c3ccccc3)c2c1=O 1559330557 GAJQCODOCMKKRI-INIZCTEOSA-N 428.579 4.945 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1)C(C)C 1568280577 ZJOJTZNBJMUHIF-QFIPXVFZSA-N 440.609 4.789 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C 1568582345 VNIAREGANCUHGR-UHFFFAOYSA-N 448.588 4.692 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2c(C)nn([C@@H](C)CC)c2C)[nH]n1)c1ccc(Cl)cc1F 1568898657 UFHNTRWCIKJGEA-KPZWWZAWSA-N 427.911 4.758 30 10 IJEE C#CCCCCCC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1585080238 QRDWJFAGHKENCL-SFTDATJTSA-N 440.584 4.727 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)OCC 1585164057 PJMZFDGYMQQSFC-OAHLLOKOSA-N 429.357 4.879 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CCCC1(C)C 1586319961 NIMBVTSFNUAROP-GOSISDBHSA-N 427.010 4.624 30 10 IJEE O=C(c1nn(-c2ccccc2F)c2c1CCCC2)N(CCC(F)(F)F)CC(F)(F)F 1586590986 AXOQLHZIKULZAY-UHFFFAOYSA-N 437.359 4.847 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C)[C@H](C)CC 1589151223 VCIHAYLTNVNMKH-KHCICDEESA-N 444.023 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC(C)C 1589171410 FKIJTIIQQQVIMU-HOYKHHGWSA-N 426.630 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)CCOC 1589198013 OEPVXPAOZDOKGD-RUZDIDTESA-N 433.556 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)C1 1589506524 XLJVGFZWYGEITM-VCBZYWHSSA-N 449.368 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H]1CCO[C@H](C)C1 1589640890 BIDYFAFFEOUEPP-RTWAWAEBSA-N 434.588 4.738 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(C)C 1589663403 MWKGBVPVQWHQQN-LJQANCHMSA-N 449.640 4.671 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1593704033 QGKRIFAKQNVJAA-UXHICEINSA-N 440.588 4.572 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@H]1C 1593776716 PMAIDSYHSZKXNL-UEVCKROQSA-N 438.616 4.913 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](C(N)=O)C1 1594460891 GDMNQSOIEQODBC-GOSISDBHSA-N 441.645 4.580 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1594608946 ZDKZDXAPAGWEDB-GGAORHGYSA-N 432.572 4.696 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCOC(C)(C)[C@@H]1C 1594793348 KQHGOMBBXUKFJV-MSOLQXFVSA-N 444.645 4.728 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1595200758 PKGPTLCSSYRAJL-RCZVLFRGSA-N 432.572 4.657 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC(F)(F)F)C1 1595744946 PLRVUGATFVUJND-GOSISDBHSA-N 438.494 4.598 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC=CCC2)C1 1595745511 SDIFHWOKNPLZST-RXVVDRJESA-N 428.964 4.648 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1612619701 BYXYUAYGNDPQCA-KYJSFNMBSA-N 436.585 4.556 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCC2(C)C)CC1 1614311139 FPKKMFGOVZWGQC-NRFANRHFSA-N 448.615 4.528 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 1617524442 NAJBFBMYAARLMD-HJNYFJLDSA-N 428.573 4.938 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[C@@H]2CCCCO2)CC1 1620354587 IBBPTBOIMMERBW-IBGZPJMESA-N 446.020 4.923 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1cnn(-c2ccc(Br)cc2)c1 1620916550 WBLJRRZIPKYCFK-UHFFFAOYSA-N 430.733 4.590 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1cccnc1)C(C)(C)CO 1622946346 GVYPBXUGYUYDCX-QHCPKHFHSA-N 430.508 4.935 30 10 IJEE COc1cc(CN[C@H](C(C)C)[C@H](O)c2ccccc2)ccc1OCc1cccc(C#N)c1 1643025735 FQSNARXHRYVCCN-KAYWLYCHSA-N 430.548 4.994 30 10 IJEE C=CCN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1645291227 WKEJJKSCOAYFQK-QHCPKHFHSA-N 444.616 4.686 30 10 IJEE C=C[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccc(OCC)cc1)C(=O)OC 1651656764 FNBRDSMJUXZCMM-SFHVURJKSA-N 429.929 4.806 30 10 IJEE CC(=O)N(c1nc(Cn2cc(C#N)c3ccsc3c2=O)cs1)c1cccc(C)c1C 1652154394 CBITYLBSOSTTNN-UHFFFAOYSA-N 434.546 4.741 30 10 IJEE C=CCN(CCc1ccco1)Cc1coc(-c2ccc(I)cc2)n1 1653916418 JCEXUSSNUYLVNW-UHFFFAOYSA-N 434.277 4.770 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 1655981922 NSUFRWCPPJIIDM-INIZCTEOSA-N 441.984 4.944 30 10 IJEE C=CCn1cc2ccc(NCc3nc(Br)c(Br)n3CC)cc2n1 1658664753 WBMVWRDVQJEHIS-UHFFFAOYSA-N 439.155 4.576 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)c(F)c1 1658779774 LKCYQBLZCOFQQP-OAQYLSRUSA-N 449.523 4.578 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(NC(=O)C(C)C)cc1 1662572975 CTABKQAJMQONFX-UHFFFAOYSA-N 446.345 4.930 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 1664989447 GKJKKNCMUPUPLK-HXOBKFHXSA-N 431.964 4.870 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1667558478 CJRTYLOHPZDOTE-MRXNPFEDSA-N 432.320 4.864 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@H]2c2ccc(OC)c(F)c2)cc(OC)c1OC 1667710907 BIYVUWWTBHCIOR-FQEVSTJZSA-N 428.504 4.627 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)C1 1670058510 GJFQEYAXJKGAOJ-UZLBHIALSA-N 442.466 4.512 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CC(=O)OC)c1cccs1 1670845744 SYKLGIKBHVLEBK-CQSZACIVSA-N 439.331 4.501 30 10 IJEE CC(C)(C)c1csc(NC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1C#N 1672201618 CLWOMKOOXYNVMT-QHCPKHFHSA-N 440.569 4.840 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)cc1 1673819681 KLRCAWOBVAMWMV-INIZCTEOSA-N 439.943 4.972 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1cccc(OC(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1674326744 OGNYPHWBQDDDJC-LJQANCHMSA-N 443.588 4.579 30 10 IJEE COCc1nc(CNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cs1 1678740984 CPIIMTJDXQEEDB-UHFFFAOYSA-N 445.360 4.901 30 10 IJEE C=C(C)c1cccc(NC(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 1681067332 QRTMPBFQAOEWBV-UHFFFAOYSA-N 439.512 4.981 30 10 IJEE C=CCC1(CNC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CCCC1 1682312129 UHYKGYQNSRCCNY-UHFFFAOYSA-N 434.422 4.849 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1683681217 MOAMVDJUOSGRCP-KRWDZBQOSA-N 425.248 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN(C(C)C)C1 1689828150 LIOMONAEBRAEKW-UFYCRDLUSA-N 444.023 4.650 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OCC2CC2)CC1 1689913785 VHINVVFVFBQZAV-NRFANRHFSA-N 436.600 4.844 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1690405007 YNUINSMHNFSHFJ-HXUWFJFHSA-N 447.549 4.794 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(=C)CC1)c1ccccc1 1690447183 LNZZGHIKPZITCN-OAQYLSRUSA-N 447.608 4.786 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccoc1 1690447687 VHUYZWIEJXQHBQ-UHFFFAOYSA-N 432.366 4.870 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCN(C(C)C)CC1 1690475358 OWNGIQQABLCGIF-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1Cc1ccnc(-n2cccn2)c1 1690567873 SCMPMTCIQITCMU-UHFFFAOYSA-N 445.546 4.536 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1690568051 YYGMSNKDNKWNQD-IBGZPJMESA-N 443.567 4.565 30 10 IJEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)c2cccs2)c1 1693217741 CNSJLFFRMPKULB-HSZRJFAPSA-N 439.560 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(C)(C)C 1705492715 VTUMIXFTGLOVBW-SFHVURJKSA-N 431.625 4.677 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCCc1nc2c(s1)CCCC2 1705616383 GFQIRAGQCHOIIF-UHFFFAOYSA-N 449.624 4.593 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(C)CCCC1 1705622897 YQOKIBSQDRLKMU-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=C(Br)Cn1c(N2CCC3(CC2)Cc2ccccc2C3=O)nnc1C(C)(C)C 1705692977 ZEOCWCAQKWKVCD-UHFFFAOYSA-N 443.389 4.510 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1SC 1705721750 VPIZMILNSLGUIP-UHFFFAOYSA-N 446.418 4.981 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1705771916 FPIGDJXDSFWEOH-MRXNPFEDSA-N 427.549 4.721 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nccn2C(F)F)CC1 1705776544 JBKZNGNIWXAYES-HNNXBMFYSA-N 446.477 4.600 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@@H]1C 1705825427 SVSVRIPQQFRBAW-RTWAWAEBSA-N 442.604 4.631 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCCN(C)C(=O)OC(C)(C)C 1705834365 JJSOYGKYEYFDCP-HXUWFJFHSA-N 427.593 4.699 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC=C(C)C 1705879200 QGCVDNUQWSPNJM-UHFFFAOYSA-N 434.540 4.901 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(CC)C1 1705939734 LJANLIGMQQYRBV-QHCPKHFHSA-N 427.618 4.693 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705941850 YROCDLJCYTXYRV-JOCHJYFZSA-N 436.629 4.773 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(CCOC)CCC1 1722345339 XOYOGFPXTBIOHX-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C1CCCCC1)N(C)C 1722391806 VBISQNTYGVTTCN-CLJLJLNGSA-N 445.655 4.793 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722427227 RUNMOJIPEOIGRV-WOJBJXKFSA-N 434.506 4.557 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCCOC 1722488807 JPQMPBGTWMIFCJ-UHFFFAOYSA-N 445.814 4.605 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCCN2CC)CC1 1722564411 PKXDVAQSFWWROJ-WOJBJXKFSA-N 427.568 4.588 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1722583685 QULHSYBRYAHRFY-SFHVURJKSA-N 425.625 4.706 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCOC(C)(C)C)c1ccccc1 1722596596 LFFVJSCDTQUZJT-VXKWHMMOSA-N 426.605 4.783 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(C)(C)C)cs1 1722861816 DFVQQPQXCFGLCU-CQSZACIVSA-N 428.993 4.997 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740560250 FMFFPLYJOJKINK-RBUKOAKNSA-N 433.625 4.541 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H]1CC 1740570840 JSGRUOZEVBWDOW-PMACEKPBSA-N 446.599 4.664 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCCOC1 1740581548 ZZMCEAHPZCRDFN-WOJBJXKFSA-N 445.007 4.965 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)c1nccs1 1740754002 BGTIPIUKTAMORZ-QKLQHJQFSA-N 441.576 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C)s1 1740756348 PBPZQEVNEXHJCP-YLJYHZDGSA-N 444.004 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740775180 PMBRXZVAXRKDFB-LVXARBLLSA-N 439.648 4.790 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1740829155 MJKXCLPKSAJYMD-XMMPIXPASA-N 447.583 4.857 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[C@H](C)C2)CC1 1740830154 XTFUMZCWZIEDCT-UFYCRDLUSA-N 429.609 4.943 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1CC 1740875256 XLWGDZLTGTUXAN-RXVVDRJESA-N 434.588 4.656 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC(CC)CC1 1740889392 NLQNSOQYNMNKBK-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCC[C@H]1C)C1CC1 1740907061 OIIJSGPRAZWPNG-OPAMFIHVSA-N 445.405 4.722 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCCc1nc(C)cs1 1748940253 GSJXXDCRKGOKJR-UHFFFAOYSA-N 425.577 4.968 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Cl)cc1 1749126661 FPIGIMXBSROBKK-DENIHFKCSA-N 439.991 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nc(C)cs2)CC1 1749293131 BWZKRVARKRPFJZ-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(C)CCCS2)CC1 1749317936 XQPCBZXZEYSSRR-FDDCHVKYSA-N 447.649 4.792 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCCO1 1749355677 NFHHCUFGCWQOPU-MRXNPFEDSA-N 436.398 4.643 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CC(=C)Br 1749587107 IHNHACRBUVYNON-UHFFFAOYSA-N 431.309 4.821 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2[C@@H]2C[C@H]2C(C)C)C1 1749699539 BCOFZMCOKAICSR-HHXXYDBFSA-N 449.368 4.845 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nc(C(F)(F)F)cs1 1760100054 QGNYCJLAVARQSQ-OAHLLOKOSA-N 445.514 4.730 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCSCC=C 1760293433 WWRNKMYUNNECSC-HXUWFJFHSA-N 431.403 4.619 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1C2CCC1(C)CC2 1760311081 KKEAOMDTXSUDBU-UHFFFAOYSA-N 431.378 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(CC)C[C@@H]1CCCO1 1760320753 XMYNCXUMBYYLCM-WFXMLNOXSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1760354301 VQCQQKYGHRFMNQ-LEWJYISDSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CC(F)(F)C1 1760414951 JTUBOTWOMKGCDV-UHFFFAOYSA-N 429.515 4.813 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1760438629 LACJJRVQUGPMEK-FYYLOGMGSA-N 429.653 4.967 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(C)C)C1CC1 1760475295 BLLVDNPKTSIZCV-VGOFRKELSA-N 430.980 4.726 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1Cc1cc(C(C)(C)C)no1 1760479608 VAKIPLXGOPULAK-UHFFFAOYSA-N 441.539 4.671 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN(C)C1CCCC1 1760480825 GMXMCNMSGYKCCN-UHFFFAOYSA-N 430.600 4.716 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(F)cc2C(F)(F)F)C1 1760542341 GCQVBUYNGCFXIJ-KRWDZBQOSA-N 440.485 4.854 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCOC[C@H]1C 1761077743 HDWJFICXNKHIQV-FYYLOGMGSA-N 448.615 4.720 30 10 IJEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)CCO1 1764356534 DASZCTJGGMVPRO-JYFHCDHNSA-N 444.583 4.657 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1770754188 CNEDRLZJIURSBC-UHFFFAOYSA-N 440.473 4.732 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1cc(OC)c(OC)c(OC)c1 1861069873 BCDJMRCKVUIRJY-HXUWFJFHSA-N 448.604 4.574 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)/C=C/c1ccc(C)cc1 1861942765 JVUXMNADANTIPZ-QDEBQFNMSA-N 434.605 4.627 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1O 1862448990 ZYMPOVXBPJNVHZ-NRFANRHFSA-N 441.911 4.965 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862453906 KTNIKOYGLGXDQQ-NRFANRHFSA-N 441.911 4.877 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccccc2)cc1 1862531636 ALFNMRLOUGCDCM-DEOSSOPVSA-N 432.564 4.703 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(N(C)C)cc2)c1 1862595820 FGSTZUFAMCEHQT-XMMPIXPASA-N 442.515 4.545 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1O 1862618912 JCWAYITYUOLASR-JOCHJYFZSA-N 437.536 4.933 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 1862687123 GDOFFMKXEQOTOF-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862689040 HGAMNFWYIIWIGL-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2C)c1 1862698242 DSSPHTKAYUTGJW-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862703606 JXQZPILZMRRQGB-NRFANRHFSA-N 436.464 4.514 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862721427 FBTPPKMJZZXTGW-KOSHJBKYSA-N 427.500 4.621 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862945091 WMUFLIPZCDDGHO-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3cccs3)C2=O)ccc1F 1863461254 ZQAGMPMKHPBXBW-UHFFFAOYSA-N 431.492 4.502 30 10 IJEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCN(CC)CC)C1=O 1863805786 CUYPJROYZVIQKY-UHFFFAOYSA-N 433.662 4.900 30 10 IJEE COc1ccc(/C=C(/C(=O)N2CCn3c(C#N)ccc3[C@H]2C)c2ccccc2)cc1OC 1866312127 JURQUMBORJVVNY-GNFOSXPUSA-N 427.504 4.521 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3cccnc3)C2)nc(-c2ccccc2C)n1 1869151458 CNBRIYNYLUGGND-HSZRJFAPSA-N 427.552 4.603 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCCC1 1870518136 JOXXOAYRKMVOMH-UHFFFAOYSA-N 447.664 4.880 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871005546 LFPMAEOJBHQHTC-UHFFFAOYSA-N 429.564 4.561 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871432485 HPRXOZOATYBLJV-MSXFZWOLSA-N 431.419 4.662 30 10 IJEE COc1ccc(CNC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871443902 JZUKPWSCCJHJIH-CFRMEGHHSA-N 443.499 4.623 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871888814 FJMHTKPYYOPXLN-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1)S(=O)(=O)CCCC 1872375383 LFAJRXRWIBCHBD-OAQYLSRUSA-N 436.524 4.653 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872441151 KWZBUHCGXXUDLP-WZONZLPQSA-N 444.597 4.624 30 10 IJEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 1872786505 MAXBOMBWAYTAJV-CJNGLKHVSA-N 445.972 4.604 30 10 IJEE C=CCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276980 XRTJPYQGLQCTEO-UHFFFAOYSA-N 425.444 4.640 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611614 JPBMCVHBVCXVIV-UHFFFAOYSA-N 446.442 4.529 30 10 IJEE CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(C(C)C)cc1 1874207480 JZTHHEYBEPVFKQ-PFRKPPGBSA-N 433.581 4.522 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc(F)c1 1874221982 IOWFVRGEKLIAIS-LFVJCYFKSA-N 428.533 4.822 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cc(Cl)ccc2O)cc1 1874443794 LBLYNCPDNJSXMQ-DOUQRPAJSA-N 428.945 4.972 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H]1CCCO1 1874444473 XQSGBBXGKKXLAW-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)c1C 1874464680 WJROGLLGXFVXRQ-DHRITJCHSA-N 449.511 4.907 30 10 IJEE O=C(/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc2c(c1)OCO2 1874582883 LUVLTYBBNSJHLV-PKNBQFBNSA-N 426.428 4.539 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(OC(C)=O)cc1 1875127740 VJXBVXWUVZTQMR-NTEUORMPSA-N 446.455 4.744 30 10 IJEE N#Cc1ccc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)cc1F 1890676063 MPXRLJGMDKAUAL-UHFFFAOYSA-N 437.478 4.722 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 1890714345 VVXXMAQOBTZJGG-UHFFFAOYSA-N 428.916 4.604 30 10 IJEE N#CC1(c2ccc(C(=O)N[C@@H]3CCc4nc5ncc(-c6ccncc6)cc5cc4C3)cc2)CC1 1890877066 ILXRGRMEEBVXTG-XMMPIXPASA-N 445.526 4.534 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(F)ccc2Br)NCC)C1 1892684035 HQXWQGYRZJCOBD-QGZVFWFLSA-N 427.358 4.722 30 10 IJEE N#Cc1ccc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(F)c1 1951397541 ZGZXVFRNAWQCMJ-DEOSSOPVSA-N 444.462 4.622 30 10 IJEE C#CCCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CC1 1984779154 PWTSJDTVXGWGCY-NIYFSFCBSA-N 444.575 4.954 30 10 IJEE CCN[C@@H](CC#CC1CC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997460713 HWKLQWDETKSGSN-OZXSUGGESA-N 426.601 4.612 30 10 IJEE C#CC[C@H](C)C[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020081662 IPCISPUUENZTDN-KJOQGJGQSA-N 428.617 4.858 30 10 IJEE C=CCC1(C(=O)Nc2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2060609042 PUZGIIHVEHBSCX-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(I)c1C=NO 2080035117 QJUYZHKFDAXQLJ-CQSZACIVSA-N 449.214 4.622 30 10 IJEE CCc1nn([C@@H](c2ccc(OC(C)C)cc2)C2CC2)c(I)c1C#N 2080113304 MVMMJIMFQMAOCF-GOSISDBHSA-N 435.309 4.708 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2082138573 CQXZYKOTWGASRN-HZLPDVBGSA-N 446.632 4.572 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(C)cc1Br 2116829553 NKNQNSPXSPJFQS-FUHWJXTLSA-N 427.358 4.854 30 10 IJEE C=CCC[C@H](COc1cc(Br)nc(C(C)(C)C)n1)NC(=O)OC(C)(C)C 2128052230 AIGARJFTIUSGBL-CYBMUJFWSA-N 428.371 4.775 30 10 IJEE N#C[C@]1(Nc2ccc(Br)cc2)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156276652 HACJAJJXPJTWGL-FCHUYYIVSA-N 426.358 4.578 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CCCCN(Cc2ccccc2)C1 2158570269 FPUAIXCOMAQDGP-QFIPXVFZSA-N 427.386 4.605 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 2159130523 RZITYPYNVNSRHR-DLBZAZTESA-N 441.414 4.574 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2162315066 PRNFASOCPOQJTO-MRXNPFEDSA-N 431.336 4.846 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc(C#N)cc1Br)C1CCCC1 2181106378 VOVWALMOYCYZSB-HNNXBMFYSA-N 436.350 4.590 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2c(Cl)cccc2Br)C3)OC1(C)C 2194120054 GBZXJLOACIZYEV-BLVKFPJESA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2211538792 CXBFAECPROQFTI-JOCHJYFZSA-N 433.574 4.778 30 10 IJEE COc1cc(Nc2ccc(Br)cc2I)ccc1C#N 2231654097 AQLKOMXIKYGNEZ-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2231928541 HGNXZRWVTTZTLI-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)c1 2232282020 NTWDZSBQZSUWGR-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(F)c1C#N 2243910259 GGGMUJBJOIKZTM-UHFFFAOYSA-N 443.478 4.953 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255845796 LPGAGTSVIRAURO-CALCHBBNSA-N 430.354 4.522 30 10 IJEE CC1(C)OB(C2CC(C(=O)NC3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)C2)OC1(C)C 2267095825 GLVLOMLAAYEQKS-YELKIJJVSA-N 438.421 4.561 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CCCCC2)n1 2267183001 CKXNRUHVCJJVIS-UHFFFAOYSA-N 434.389 4.664 30 10 IJEE CC(C)[C@H]1[C@H](C(=O)Nc2ccc(C#N)cc2Br)CCN1C(=O)OC(C)(C)C 2279441431 FSCLJMZWZJKEKS-PBHICJAKSA-N 436.350 4.541 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 2296012246 RQDPDDWHELXZBW-HSZRJFAPSA-N 426.428 4.777 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2296217822 YHQOABYPMFYDLR-HKUYNNGSSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2(C(=O)C#Cc2cccc(Br)c2)C1 2296221111 FRRBWUMMTQMQQP-HTAPYJJXSA-N 432.358 4.797 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2296222124 PDGDNUJMMYHYSG-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2296222125 PDGDNUJMMYHYSG-RTBURBONSA-N 435.406 4.814 30 10 IJEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@H](N)C#Cc2cccc(Br)c2)CC1 2296277081 OJRDDVRSPVKILH-GOSISDBHSA-N 435.406 4.992 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@@H](N)C#Cc2cccc(Br)c2)c1 2296278702 GZLSOXVCJPNEEI-SFHVURJKSA-N 431.330 4.856 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCN1C(=O)OC(C)(C)C 2296297804 CTXJPZLJGLQHRC-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE C=CCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296537503 RSCKEFHVNSYHFK-UHFFFAOYSA-N 426.950 4.644 30 10 IJEE Cc1ccc(C=C2SC(=S)N(CCC(=O)N(CCC#N)c3ccccc3)C2=O)cc1 2296754921 SBJBRJWYTJMKPY-UHFFFAOYSA-N 435.574 4.533 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCCCC2 2305325680 OKNYRHWLUPPWNM-RUZDIDTESA-N 428.573 4.842 30 10 IJEE C[C@H]1Oc2ccc(C(=NOCCOc3cccc4ccccc34)C3CC3)cc2N(C)C1=O 2318633455 DOZTXBOCYDGVPG-QGZVFWFLSA-N 430.504 4.793 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1N=Cc1c(F)cccc1Cl 2320940988 NNDAAZKLBCTFLK-UHFFFAOYSA-N 445.951 4.808 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cc(Cl)c1O 2322206856 BATRZIJEQWUOQO-UHFFFAOYSA-N 438.940 4.755 30 10 IJEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)cc1OC 2322312252 BSLCHWNTSKZKHO-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2OC)C3=O)c1 2322722485 NTBBDRPMBCAANZ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)c(F)c2)c1OCC(=O)NCc1ccccc1 2322784973 JPFFANSTFRSOIY-UHFFFAOYSA-N 437.442 4.565 30 10 IJEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323038854 CGPQCUWINMHXRM-UHFFFAOYSA-N 440.710 4.953 30 10 IJEE CSc1nnc(C)n1N=Cc1cc(Br)c(OC(C)C)c(Br)c1 2323569433 XMLVDULOCPXXLE-UHFFFAOYSA-N 448.184 4.503 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 2324673245 QLQKYFNRKROMHN-GOSISDBHSA-N 427.485 4.968 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(F)cc1F 2326848383 UHKDFWTWQXIPQK-UHFFFAOYSA-N 432.496 4.918 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330731434 KIYIKUBGWAZHFA-UHFFFAOYSA-N 439.560 4.525 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2331293548 YDYAJZLTGPQZQU-UHFFFAOYSA-N 435.380 4.991 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)(C)C)cc1 2331411715 FLPADKXOKCXNHI-SFHVURJKSA-N 449.624 4.990 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccs2)n(-c2ccc(Cl)cc2)n1 2331673634 HCGVORXFYQFEKG-UHFFFAOYSA-N 425.945 4.813 30 10 IJEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332148936 QIELMKPFXSEXTN-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339584659 DTUFUIHCXXMKAJ-XXFRDUSWSA-N 444.381 4.798 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2364628024 DJNZHRGOGJXQSP-IEBWSBKVSA-N 439.394 4.805 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)CCc2ccc(OC)cc2Br)C1 2364933385 RTDLWPFHUHWHNR-UHFFFAOYSA-N 438.362 4.821 30 10 IJEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 21222200 JSNVAHXSVBFLRI-GHTZIAJQSA-N 434.492 4.634 30 10 IJEE O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21251675 AOGUESSFWQDPRA-ZFWWWQNUSA-N 431.275 4.906 30 10 IJEE C=CCn1c(Cc2csc(NC(=O)COc3cc(C(C)C)ccc3C)n2)n[nH]c1=S 26042641 MSILUWBJICDHFM-UHFFFAOYSA-N 443.598 4.623 30 10 IJEE COc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4cccc(C#N)c4)C3=O)cc2)cc1 34734277 AMRKTCQRMBQGHR-UHFFFAOYSA-N 440.503 4.651 30 10 IJEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n(CCc4ccccc4)c3O)oc2c1C 38620215 XWWAYTSKFUUGTC-UHFFFAOYSA-N 440.499 4.879 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2nc(SCc3ccc(Cl)cc3)n[nH]2)c(O)c1 59039086 AFPIKUCINKPIQP-WSDLNYQXSA-N 430.965 4.748 30 10 IJEE C[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2)n1)C(=O)Nc1cccc2ccccc12 59049230 CIQAEIJPIHDBIA-OAHLLOKOSA-N 426.501 4.993 30 10 IJEE COC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2n1-c1ccccc1 59121522 WARZYKZNXZIRNI-LKUDQCMESA-N 447.476 4.624 30 10 IJEE CN/C(=N\c1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1=O 59446511 CEYXSOGUESKNMR-KRWDZBQOSA-N 436.364 4.882 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccc2)cc1 103112161 RVRGINQXCLKIKC-GOBJLOIFSA-N 434.517 4.785 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2cccs2)c1 169928628 FTKLNGBQUKHZIS-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1[N+](=O)[O-] 169942915 DRVRLPFQVIQAQI-NHDPSOOVSA-N 428.470 4.580 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(N4CCCC4)cc3)=C(c3ccccc3)C2=O)cc1 170129168 SFGVMRZTZVUFDK-UHFFFAOYSA-N 434.499 4.555 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)cc1 170138003 JOVULLJPACBVJV-DEOSSOPVSA-N 449.547 4.664 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)c(C)c1 170190523 RTCMSHNANFXTFN-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)ccc1OCC(C)C 170192999 RFDGHNRLRYLRGD-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)c1 170223964 YXVBCTKXMKKUFO-HSZRJFAPSA-N 427.456 4.549 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170260607 MWKZBGIGYZNBOX-HSZRJFAPSA-N 429.472 4.643 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC(C)=O)c2)cc1 170407976 OEOMRFDLKKMWSP-DEOSSOPVSA-N 441.483 4.957 30 10 IJEE Cc1ccc(-c2n[nH]cc2C=Nn2c(COc3ccccc3)nc3ccccc3c2=O)cc1 254738665 JDWQBGJYOHYBSR-UHFFFAOYSA-N 435.487 4.556 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(OC)c(Br)c1OC 407441741 VMXYTERQMFDAAE-PBHICJAKSA-N 443.382 4.586 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1CCOc2c(Br)cccc21 409859011 LRSMTYNHQKIUQJ-RDTXWAMCSA-N 435.387 4.527 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 508859588 WSXKKJMHPXROPY-OAQYLSRUSA-N 433.943 4.737 30 10 IJEE C=CCOc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c1 509101557 XSNUALNSTMXKRT-UHFFFAOYSA-N 430.430 4.649 30 10 IJEE Cc1cc(Br)cc(C)c1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 511344936 MGYLTPUCBLBKDF-UHFFFAOYSA-N 442.357 4.691 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1[N+](=O)[O-] 526811789 TWIMFYDTEYHHBT-NHDPSOOVSA-N 431.905 4.721 30 10 IJEE COc1cc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc(OC)c1O 526821158 DTWZUMPCLSEGJK-CFRMEGHHSA-N 434.521 4.637 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)CCc2nc3cc(Cl)ccc3s2)CC1 527092469 GYGITDXPMVAEMJ-UHFFFAOYSA-N 440.956 4.655 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CC1 540351217 FFROYUITTGUCGT-CBCGPPTASA-N 434.584 4.631 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(CN2CCCC2)CC1 549694283 ZMUOMLTXFZYYFS-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE CC(C)c1ccc(OCC[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 586352513 UYOOXGZWERXBMN-XHDOVSQSSA-N 444.622 4.634 30 10 IJEE C=CCOc1ccc(C(=O)NCc2cc3cccnc3cc2Br)cc1OC 676367917 MMVWZUMSHFEMKX-UHFFFAOYSA-N 427.298 4.501 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 685551703 DUDHALKWTYKEIK-UXHICEINSA-N 447.587 4.531 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(Cl)c1C 733196423 BBJPVEVGHKABHX-IBGZPJMESA-N 443.931 4.771 30 10 IJEE CCN(Cc1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(C)=O 740434199 AFKQAAYRGCWXRX-UHFFFAOYSA-N 432.549 4.977 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 746070498 RZTOIEYFSOBBCB-IFXJQAMLSA-N 425.872 4.969 30 10 IJEE Cc1cc(C)c(Cn2c(-c3c(C)noc3C)csc2=Nc2ccccc2C#N)c(O)n1 771906041 YFRMRWCCRCCGEA-UHFFFAOYSA-N 431.521 4.691 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(COC(=O)C2(c3ccc(C#N)cc3)CC2)cs1 781392908 RPUNUNJRIZLGHB-UHFFFAOYSA-N 431.517 4.783 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 804834213 BNBCMIJKIRJRIR-HXUWFJFHSA-N 441.959 4.661 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2sc3ccc(Br)cc3c2C)c1 1125256589 LAPQPHTXSCRFIU-UHFFFAOYSA-N 441.350 4.664 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 1128849201 ZTQNHJXVBOWPTL-ZONZVBGPSA-N 444.619 4.838 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 1129702762 KKMCUMJOACTSAW-CVEARBPZSA-N 430.298 4.527 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)c(OC)c1 1130784822 GCRMPUDRHZBXEZ-UHFFFAOYSA-N 449.454 4.979 30 10 IJEE C#CC[C@]1(C(=O)NCC(CC)(CC)c2ccc(F)cc2)CCCN1C(=O)OC(C)(C)C 1131570029 KIUZLHXPJKOXTN-RUZDIDTESA-N 430.564 4.793 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccccc2OC)CCCC1 1136404308 WLPWYZVCMHMLOM-HXUWFJFHSA-N 430.589 4.873 30 10 IJEE C=C[C@H](CC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccccc1 1136601948 OSTWAVLTRBYCSZ-LJQANCHMSA-N 435.568 4.953 30 10 IJEE CC#CCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1137920988 PMJHQWCAFHDQHF-SANMLTNESA-N 438.527 4.714 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)ccc2c1=O 1141732278 PTFGKXFZLSAVRE-IBGZPJMESA-N 425.529 4.528 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC/C=C\Cl 1141763178 JUOLCZJGJQEUNI-ZKUBTYIGSA-N 440.927 4.660 30 10 IJEE C=CC[C@]1(C(=O)NCC2(c3ccccc3OC)CCC2)CCCN1C(=O)OC(C)(C)C 1153880458 FZNYJLSPKLSZJQ-RUZDIDTESA-N 428.573 4.579 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 1156360435 UOGMCWKGVVZRRC-ZDUSSCGKSA-N 442.850 4.649 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CCC[S@](=O)c1ccc(Br)cc1 1156734595 AKNULEJEJHBRGF-SANMLTNESA-N 434.399 4.942 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)CC[C@@H]3CCCCN3C)c2C#N)C1 1167508317 GEZZBUYUKOAYKR-OALUTQOASA-N 444.689 4.906 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc([C@@H](O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1171649480 KOVGCKFJNWBHGR-OXQOHEQNSA-N 428.451 4.567 30 10 IJEE C=CCOc1c(Br)cc(CNCC2(N(C)C)CCCCC2)cc1OCC 1177065963 IGZIQMPEELIDIE-UHFFFAOYSA-N 425.411 4.767 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2c(F)cccc2-n2cccn2)cc1 1197961812 CVZBBVJSWUPPIP-OAQYLSRUSA-N 425.467 4.989 30 10 IJEE COCc1csc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 1199686366 AQMFURICGJRTPZ-UHFFFAOYSA-N 425.485 4.806 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCC(=O)Nc1cccc(Cl)c1C 1199952341 QDGFAMOLILOETH-UHFFFAOYSA-N 435.749 4.541 30 10 IJEE Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 1202434523 HLKADRRHDIPULR-UHFFFAOYSA-N 431.830 4.629 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)cc(OC)c1OC 1205764592 WYUCTJOYVHHCSK-UHFFFAOYSA-N 446.345 4.789 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1221953060 HAQSNELUBNYRRU-NRFANRHFSA-N 443.494 4.571 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1230488773 CRUCHIYCSOLEAG-VAXXYWNWSA-N 445.991 4.741 30 10 IJEE CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cn1 1264934166 AGRNFVPMVCNQJX-UHFFFAOYSA-N 429.476 4.740 30 10 IJEE C#CCN(C(=O)[C@H](SC)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1265210258 NYJVJRAPHVJQAU-AZUAARDMSA-N 430.367 4.839 30 10 IJEE C=CCN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1269214836 KEOQCMYBYCURAY-DYESRHJHSA-N 433.470 4.998 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C 1270160818 GQBXXJIONUSEND-DEOSSOPVSA-N 431.584 4.961 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccc(Br)cc1 1275465834 ZBLLIOFYNQBYKL-LJQANCHMSA-N 437.341 4.756 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCOCCC(C)C 1286273416 HNXOPNOCRRVHBF-KRWDZBQOSA-N 433.394 4.618 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(Cc1ccc(F)cc1)C(C)C 1286326319 AIDSMZDFZHOEEV-UHFFFAOYSA-N 425.577 4.991 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1286339572 OOFQPRNUYGNZAO-HOTGVXAUSA-N 433.419 4.760 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286355381 MYHUXVRSEIQRCT-FPOVZHCZSA-N 445.007 4.669 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1286627322 YJRYVZZAKQLBDA-OXQOHEQNSA-N 427.911 4.507 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@@H](c1ccccc1OC)N1CCCC1 1286747775 PMVXFILIMFBPAB-QFIPXVFZSA-N 437.613 4.686 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C)CC1)C(C)C 1286751097 MWRTWWVDLGLEEU-ZLNRFVROSA-N 429.653 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCc1cc(C(F)(F)F)ccn1 1286752856 KJZDYMPHPRNUTG-UHFFFAOYSA-N 438.457 4.652 30 10 IJEE C=CCNc1ncc(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)s1 1294083510 NHTQEWQECAEITP-FQEVSTJZSA-N 443.956 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCOC(F)(F)F 1300790181 LFNMLXOFYDECNA-GOSISDBHSA-N 430.833 4.656 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301174917 WNGGPUGBJHPYBF-IFMALSPDSA-N 441.595 4.978 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCS1 1301337574 IQLUOINKWSHCOV-LEWJYISDSA-N 428.602 4.617 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1Cc1cnc(C)s1 1301340660 LADZVCLNJDBITQ-UHFFFAOYSA-N 430.537 4.724 30 10 IJEE C#CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)CCCCC1 1304007553 WYSQMAGAOGIMTO-UHFFFAOYSA-N 444.984 4.905 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(Cc3ccc(Br)cc3)C2)cc1OC 1304308207 AGHWXFJTRNAOOQ-YRNVUSSQSA-N 442.353 4.737 30 10 IJEE C=CCN(CCCS(=O)(=O)c1ccc(C)cc1)Cc1cc(Br)ccc1F 1307447843 GIADCHLDCJVPSM-UHFFFAOYSA-N 440.378 4.749 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1 1309381629 WCKAZDCTQYJTHH-UHFFFAOYSA-N 444.597 4.521 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1nc(C)sc1-c1ccccc1)c1ccc(Br)cc1 1309531748 MSWSKNVVWFPBKA-QGZVFWFLSA-N 447.379 4.534 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)C1 1310015268 JMAPRCXSMSCANR-SFHVURJKSA-N 427.932 4.750 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccco4)nc4ccccc34)n2CC=C)C1 1322676613 WHQZFCXBOIOOAO-GOSISDBHSA-N 427.508 4.721 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)C1 1325220552 LPUZFRIGXYRYOQ-QFIPXVFZSA-N 438.531 4.564 30 10 IJEE CSc1nc(O)c(C(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1C#N 1338344637 DXHGJEICZIKDAI-CQSZACIVSA-N 438.578 4.954 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)C1 1342304885 LFFPPTBTICXAMX-UXHICEINSA-N 433.321 4.664 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cn2c(n1)C[C@H](OC)CC2)c1ccc(C)c(C)c1 1352113132 DKBLUFWZSQDXAQ-HSZRJFAPSA-N 445.563 4.873 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C(C)=C/c2ccc(F)cc2)c(C(=O)OCC)c1C 1357817177 MFBRXDBWIONGOJ-OUKQBFOZSA-N 431.485 4.757 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1c[nH]nc1C 1358943070 ULRURHVCRIIALD-UHFFFAOYSA-N 434.544 4.546 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCC1CC1 1359015909 JBJBVAICUCGKRJ-UHFFFAOYSA-N 442.336 4.615 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)C1CC1 1359092967 IODCZMCHSKDOBN-AUUYWEPGSA-N 449.368 4.817 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1scnc1C 1359094292 ZDKLPJRQKGHIEZ-YLJYHZDGSA-N 444.004 4.981 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC#N)CC1 1359128269 OYMQKNDXUHTBNF-GOSISDBHSA-N 439.629 4.854 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCCC(C)C)CC1 1359160810 FDMXYSUNTUEAGS-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(F)(F)F 1359203424 OXHBNPRPGLGEOJ-MRXNPFEDSA-N 445.530 4.747 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 1359273111 PJZMTFHQUIXQSW-JOCHJYFZSA-N 428.989 4.670 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1359341362 USPFLDRNLLTFMZ-JOCHJYFZSA-N 448.640 4.673 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)C2=O)cc1 1435867763 HEQUJUHXSSOIOC-RSXGOPAZSA-N 437.543 4.586 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1csc(-c2cc(Br)cs2)n1 1436117632 DTMCZCAKNIDHJV-AWEZNQCLSA-N 430.352 4.923 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc(OC)c1OC 1439923168 VPJGATIESVVFTG-UHFFFAOYSA-N 438.911 4.548 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1 1450846872 KKGIOWYEUDWLMT-CQSZACIVSA-N 443.522 4.675 30 10 IJEE CC#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1452867928 YSOBKZYSSLFESS-ZOECDYFQSA-N 440.543 4.624 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4ccc(F)c(C)c4)cs3)n[nH]2)c1C 1465774463 VIDSOJYEASWFGV-UHFFFAOYSA-N 436.516 4.899 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1467944624 TUGNKSDKQGBULU-GOSISDBHSA-N 449.382 4.729 30 10 IJEE CC(C)Cc1ccc([C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 1468449888 BRKCLIWGAZZSMY-RPBOFIJWSA-N 444.579 4.703 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)ccc1Br 1474948803 DCMACWGGILNVDZ-SFHVURJKSA-N 439.762 4.794 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c(C(F)(F)F)c1 1475048612 AYXYWDYLYKGNLA-NRFANRHFSA-N 434.483 4.636 30 10 IJEE N#Cc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCOCC2)ccc1Oc1ccccc1 1476463110 DBKGIDGQIKYCLJ-NRFANRHFSA-N 448.548 4.607 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Nc1cccc(CC#N)c1 1476609956 BGRAEHHLJJWMEB-GOTSBHOMSA-N 434.540 4.796 30 10 IJEE Cc1cccc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1OCc1ccccc1 1477125810 GRCNGEILBJWSJD-UHFFFAOYSA-N 444.510 4.939 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1478963937 DLBGUZFTANBNDP-ZDFPQIBNSA-N 449.636 4.615 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(CC)cc3)nnc2N2CCC[C@](C)(C#N)C2)c(C)n1 1500518354 IEEGQRREOLHCJV-AREMUKBSSA-N 445.615 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@@H]1CC 1507804660 LORMEBALQWGBHV-RVLCIERPSA-N 430.543 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1507911099 BRJKVZZDJGFGLA-GOSISDBHSA-N 445.489 4.863 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC1CCN(C2CC2)CC1 1507996011 FSKBIWPTZSWADJ-UHFFFAOYSA-N 432.616 4.514 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CSCCS1 1508005280 PREXQIDHEOSHEE-IBGZPJMESA-N 441.601 4.520 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN(C(C)C)C1 1508008733 RXHSQKIYEIEATH-LEWJYISDSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C 1508014970 ZDUISZQECMVAPF-RZUBCFFCSA-N 431.694 4.965 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCC1 1509541814 AKHDBDKTXUXYCT-UHFFFAOYSA-N 435.597 4.988 30 10 IJEE CCOC1CC(CCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@H](C)CC#N)C1 1516361497 ICQNGSSODDQZHF-KLHKWILBSA-N 431.968 4.551 30 10 IJEE C=CC[C@@H](OC(=O)Cn1cc(Br)ccc1=O)c1ccc(Cl)c(Cl)c1 1519080654 DUCKBBOBBRZUFX-OAHLLOKOSA-N 431.113 4.778 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCCN1C(=O)OC(C)(C)C 1527252281 RNLUKCWCHGSGHD-JTSKRJEESA-N 434.989 4.786 30 10 IJEE C#CC[C@@]1(C(=O)N2CCc3oc(-c4ccccc4)cc3C2)CCCN1C(=O)OC(C)(C)C 1527780426 LZTXURUGWHRPPX-SANMLTNESA-N 434.536 4.624 30 10 IJEE C#C[C@H](NC(=O)c1cc(Oc2cccc(Br)c2)ccn1)c1ccc(F)cc1 1528047886 PQQFUGYKOPDQIZ-IBGZPJMESA-N 425.257 4.880 30 10 IJEE CCOC(=O)[C@@]1(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCc2ccccc21 1529867441 BETIZOOUFXOVBH-HHHXNRCGSA-N 440.499 4.680 30 10 IJEE C#CCN(C(=O)c1c([N+](=O)[O-])ccc(C)c1C)[C@@H]1CCOc2ccc(Br)cc21 1531553974 RBLNRRIHBMILAK-QGZVFWFLSA-N 443.297 4.573 30 10 IJEE C[C@@H](NC(=O)Cn1nc(C(F)F)cc1C(F)F)c1ccc(OCC(F)(F)F)cc1 1534929632 CWUKGEFWBRBAIJ-SECBINFHSA-N 427.320 4.577 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@]23CCCC[C@H]2C3)c1 1535054064 PQHBNLWAWDNQII-FDDCHVKYSA-N 444.984 4.784 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)C(=O)OCC 1536578843 ODUMCIFEEORQJZ-JOCHJYFZSA-N 434.540 4.615 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1539172062 SSKUBOFBCOUDGU-DLBZAZTESA-N 429.446 4.963 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1[C@H]2CCC[C@H]12 1539586026 DZLBAQFKZZBZGK-STQMWFEESA-N 425.733 4.881 30 10 IJEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCCc2sccc2C1 1539757890 CDTIGRLKRFBXPT-UHFFFAOYSA-N 438.597 4.507 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1539842684 XYNCJTMBPTZAPG-UHFFFAOYSA-N 438.457 4.630 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CC 1539918659 OUFZXVZYNQGEPF-GOSISDBHSA-N 436.604 4.760 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1539921268 UBZQULQWKCBCMB-UHFFFAOYSA-N 434.632 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1539923569 DBDVOBLGKIUSCI-OAQYLSRUSA-N 435.572 4.947 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 1540119323 IJWSQWIPRKKOAU-NVQXNPDNSA-N 438.616 4.982 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(OC)CCCCC1 1540164198 JPNXKZORPBPSHH-UHFFFAOYSA-N 432.572 4.659 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](SCC)C1 1540861500 UAZAJGAHXHJSSE-ROUUACIJSA-N 435.638 4.648 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCc2ccc(C)o2)c1 1543290574 LLEVGRCGDXKLRG-UHFFFAOYSA-N 444.940 4.553 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](CC)C1)N(C)C 1546723462 AFDGYJNRESWJPK-YADHBBJMSA-N 440.661 4.515 30 10 IJEE COc1ccccc1NC(=O)c1ccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 1562067792 ANBLOEKPFGPDNA-UHFFFAOYSA-N 426.476 4.630 30 10 IJEE C#CC[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c1ccccc1 1564385852 SZVJHQDWGNPVLK-VXKWHMMOSA-N 439.600 4.818 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(C)cc(Br)c2O)CCCN1C(=O)OC(C)(C)C 1566887715 HTHFCLCFJYTTFS-FQEVSTJZSA-N 439.350 4.747 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 1570290170 JYYJXFIFBNDADY-OAQYLSRUSA-N 436.543 4.996 30 10 IJEE N#Cc1ccccc1OCC(=O)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 1583578667 BPMSSOSUDPCYAJ-UHFFFAOYSA-N 428.822 4.977 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1583750161 JGLPAWVCVUSSQD-AUSIDOKSSA-N 434.964 4.666 30 10 IJEE COc1cc(Br)c(Cl)cc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1583987568 FDJCLCLNPIMHMC-UHFFFAOYSA-N 431.717 4.912 30 10 IJEE Cn1nc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1-c1ccc(F)cc1 1587215334 BCVIDDLNNXJYPQ-UHFFFAOYSA-N 442.498 4.833 30 10 IJEE Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 1587500734 GFMVPAYCTHMNLE-HSZRJFAPSA-N 435.543 4.532 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1587718559 IIRUAGAXIONGQT-QUCCMNQESA-N 443.389 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1cccnc1)C(C)C 1588198307 OHEDTTZGPYXFKC-VWLOTQADSA-N 425.580 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1CC 1589506210 SUPVNOBOQVAJDG-CDXJDZJCSA-N 430.980 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)c1ccsc1 1589636866 KIHUOIPQMJIKIB-DEOSSOPVSA-N 435.597 4.808 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1593666797 ZLFUUXVANAULTG-GJZGRUSLSA-N 437.407 4.526 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1594115476 SBEJSCSCYNTQOO-JOCHJYFZSA-N 436.629 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1594520862 DSKRIGUILXWSNB-LJQANCHMSA-N 426.605 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1594528566 KXVNTHPQZQMOJA-GOSISDBHSA-N 433.641 4.919 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1594569059 XORXLINZYFWXFE-SFHVURJKSA-N 426.996 5.000 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 1594687058 CRXVWMJZGNQSHO-UHFFFAOYSA-N 425.334 4.510 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1594788814 ULCDGQYGNDAXAU-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1Cc1nnc(C(C)(C)C)s1 1595134439 ZXFFQYDTOHFLOX-UHFFFAOYSA-N 440.592 4.760 30 10 IJEE CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccnc1Oc1cccc(F)c1 1602713877 DQNOOSMCWDYTKZ-XMMPIXPASA-N 434.519 4.906 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)n1 1612192999 DIKORPKYAZUBFW-UNMCSNQZSA-N 436.604 4.620 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCCC2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1612680008 HFISRKWLOZZZHP-QZNHQXDQSA-N 434.632 4.975 30 10 IJEE C=CC[C@H]1CCN(C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)C1 1618573309 LXNFIMZZPDSNJL-JTQLQIEISA-N 428.195 4.864 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 1621130348 VUFRQJCYZZAYGB-UHFFFAOYSA-N 437.754 4.617 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N3C[C@H](O)C[C@H]3c3ccccc3)c2)cc1 1622896393 DOAYFMVMZQXDAZ-NOZRDPDXSA-N 427.504 4.671 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 1625055580 BQJKMATUIIRJAT-GOSISDBHSA-N 438.490 4.898 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 1625539286 VAMBQQKEQKRDKU-UGSOOPFHSA-N 437.309 4.787 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC2CC=CC2)ccc1Cl 1625750213 ZCNOUGYZYBOBEX-UHFFFAOYSA-N 444.984 4.807 30 10 IJEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)C1CCCCC1 1627403575 IIEAJAPIKXGSEU-UHFFFAOYSA-N 448.947 4.688 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 1628632174 JABURFFVCSZBFS-NRFANRHFSA-N 425.960 4.935 30 10 IJEE C#CC[C@H](NC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccccc1 1633352025 QFTLJRXFWFRCOA-PPJWLVRDSA-N 444.506 4.641 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 1636552974 WNYXESRITWBGMH-HXUWFJFHSA-N 435.877 4.561 30 10 IJEE C#CCN(C(=O)/C=C\c1ccccc1O[C@H](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1638330701 AXJZQQJSLBTOIK-CLEWGBKMSA-N 440.584 4.738 30 10 IJEE COc1cccc(-c2cc(CNC(=O)c3cccc(COc4cccc(C#N)c4)c3)on2)c1 1639329345 DERHGMYVOYUWEA-UHFFFAOYSA-N 439.471 4.731 30 10 IJEE C=C[C@@H](C)ONC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1640634725 DQGAIIQESSPJPX-CFBLSMTOSA-N 430.504 4.975 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 1643114543 DQLIWJQPFSFKMU-SAABIXHNSA-N 433.426 4.522 30 10 IJEE N#Cc1ccc(CNC(=O)CN2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1 1644360066 CTNFYHFWQMAEKP-UHFFFAOYSA-N 429.486 4.538 30 10 IJEE COc1ccc(-c2nnc(Sc3ccnc(C#N)n3)n2-c2ccccc2C(C)C)cc1 1651334978 DHZQFPXLDGEXTM-UHFFFAOYSA-N 428.521 4.879 30 10 IJEE COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@H](C)c1ccccc1 1652382315 DRFZGXCQEZKGPW-JOCHJYFZSA-N 444.579 4.673 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(C)ccc2cccnc12 1661282504 SFBNTVRZKMDJPP-UHFFFAOYSA-N 449.345 4.822 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1661695733 OKYVSPFRIBKFSJ-UHFFFAOYSA-N 431.471 4.837 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCN(c2ccccc2)CC1 1662572870 AEQBSMYNXXUWJI-UHFFFAOYSA-N 430.346 4.758 30 10 IJEE COc1ccccc1[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)N1CCCCC1 1666978906 CWEQIMWYGOFCSY-DSITVLBTSA-N 446.595 4.704 30 10 IJEE Cn1cc(C#N)c(NC(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)n1 1667537560 BFNSIKNSQQOAEP-GOSISDBHSA-N 432.286 4.843 30 10 IJEE C#CC1(F)CN(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)C1 1668110732 XXAFCOLTEKUTMZ-UHFFFAOYSA-N 425.847 4.763 30 10 IJEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 1671071159 ARWLCSIHYABNCQ-GOSISDBHSA-N 449.532 4.643 30 10 IJEE C=CCC1(NC(=O)N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CCCCC1 1671417161 UATAIPVNBIIJDE-LJQANCHMSA-N 448.405 4.831 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(c4c(Cl)cccc4Cl)CC3)cc2n1 1673220898 RYBCYRVGOIWFKL-UHFFFAOYSA-N 430.339 4.883 30 10 IJEE C#CCN(C(=O)Nc1ccc(N(C)C)c(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1673971831 XNOKAXVEEZRFEF-GOSISDBHSA-N 446.320 4.645 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(ccn2CC(=O)OCC)c1)[C@@H]1CCCc2ccccc21 1674378153 WCFKBNZUEFEMIQ-XMMPIXPASA-N 429.520 4.749 30 10 IJEE C#CCN(C(=O)Nc1ccc(CC(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1674844508 UMHJAJHMJDWRRT-UHFFFAOYSA-N 439.478 4.658 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1 1675603605 IIRDYHLVZHZVIF-WOJBJXKFSA-N 430.932 4.541 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 1677894795 MNLCVCOINCVVCA-UHFFFAOYSA-N 428.554 4.680 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccc(Cl)c(Cl)c3)cc2)ccn1 1678172426 DVCGSLIPIOQOHU-HXUWFJFHSA-N 443.290 4.907 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)cc1 1681848262 MVTNHCFHXKZADP-OAQYLSRUSA-N 445.332 4.941 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C 1681941500 ASKNBSNXOHBUFT-UNMCSNQZSA-N 441.616 4.995 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1COc2cccc(C)c2C1 1684227938 QWLVCEYLUOGAPL-QGZVFWFLSA-N 433.321 4.598 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](CC)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 1685367557 ZTCPAQUFKXLFLI-VXNXHJTFSA-N 443.538 4.561 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cccs2)CC1 1689878641 PVGSGNZIVJKSFX-UHFFFAOYSA-N 425.989 4.790 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1689884478 XAJHJZNYMRPDIY-JOCHJYFZSA-N 437.607 4.836 30 10 IJEE C#CCCCCn1c(COCC)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1689904025 HZAOMTYPFBVGQC-INIZCTEOSA-N 431.378 4.504 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1690040882 RKVAVWIJGYFKJF-NLFFAJNJSA-N 438.019 4.572 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCCN2CCC)CC1 1690382593 UZKKWCCSSFKGCW-HSZRJFAPSA-N 437.632 4.840 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CC(C)C)C1 1690453357 AOBSQBHDWQECJS-LJQANCHMSA-N 430.618 4.577 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCOC[C@H]1C 1690500135 MLBHTBATLSVPBA-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(CN2CCCCC2)cc1 1690595018 LWGKPVYEYUCAHF-XMMPIXPASA-N 435.616 4.732 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1nc(C(C)C)cs1 1705506253 UKHDEAJYPRKWJJ-INIZCTEOSA-N 441.626 4.665 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCCCN1CCCCC1 1705675418 NYRSKFXXXGPZDE-HHHXNRCGSA-N 449.643 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1cc(C)nc(N2CCCC2)c1 1705713596 MDHMVGMADKGPJK-UHFFFAOYSA-N 434.563 4.839 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CCc2cccs2)CC1 1705721751 VRGGIGNESQUNMH-HSZRJFAPSA-N 435.641 4.822 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CCCO)CC1 1705721860 DMCACQBDFOXOHQ-UHFFFAOYSA-N 433.394 4.581 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1705723111 AKVOKTAJUWJCEN-FCHUYYIVSA-N 440.588 4.712 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1705732142 OYPVWUUMSHNSEB-ROUUACIJSA-N 431.378 4.535 30 10 IJEE C=C(Cn1c(CC2CC2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1)c1ccccc1 1705743696 GHZZUUOBSQQJSF-FQEVSTJZSA-N 447.549 4.655 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCOC2)CC1 1705779018 RQCOPZKLOHHQBG-KRWDZBQOSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCC(C)(C)C2)CC1 1705782969 NNZZSSLNSYNIHR-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(CCc2cccs2)CC1)c1ccccc1 1705797402 VWZIKTJSVMWMMH-QFIPXVFZSA-N 435.641 4.627 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1705804881 QRRHGYKRLJSSKB-GGAORHGYSA-N 445.615 4.581 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCc2ccccc21 1705836531 WIOGZFXDZGYPHO-MRXNPFEDSA-N 426.362 4.778 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)S[C@@H](C)C2)cc1 1705910390 AOXPPFXCMITJFW-ROUUACIJSA-N 440.638 4.874 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](C)c1nccs1 1711670969 DMVAPWBBEGEXNU-KGLIPLIRSA-N 430.965 4.606 30 10 IJEE CSC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1712719048 CJNAGTFOKFLJFE-UHFFFAOYSA-N 444.608 4.956 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1722395111 QNLMJTPZBMTBSU-CMKODMSKSA-N 437.385 4.607 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1Cc1sccc1Br 1722420849 JQLMUPCWXVJAPW-UHFFFAOYSA-N 445.361 4.807 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1722529705 ZWTSXTORQREITL-PXNSSMCTSA-N 448.995 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1722592431 YJTBVGHOEMRSEI-UHFFFAOYSA-N 440.567 4.687 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)[C@@H](C)CC 1722659077 OAXODSDSRLZKGY-XDHUDOTRSA-N 426.536 4.975 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1csc([C@H](C)OC)n1 1722663469 XUGALPCZSVNOKT-MAUKXSAKSA-N 445.614 4.596 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@@H](SCC)C1 1740594291 HSFIUEMCAHRPBA-JOCHJYFZSA-N 426.630 4.597 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](C)C1 1740712632 OTNHIPHGSDXWMU-LJQANCHMSA-N 436.581 4.720 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1740718058 GYIMALURLZENOV-FQEVSTJZSA-N 431.005 4.533 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCC2CC2)CC1 1740787401 CIZNSMKIUWVWJN-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCCSC)CC1 1740823669 KIIDFBPRSXNJKC-UHFFFAOYSA-N 438.601 4.674 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([S@](C)=O)CC2)CC1 1740835620 AQIJXRPFDHFCFJ-NDEPHWFRSA-N 439.412 4.565 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2ccco2)C1 1740871489 DWAZSTXTPZQXDZ-HXUWFJFHSA-N 428.920 4.744 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1740878634 PYCKUGBNBCRNNJ-UHFFFAOYSA-N 449.643 4.818 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)C(C)C 1740926849 LUGHYJZQINAVPC-VZGLXOSZSA-N 425.665 4.800 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCOC2(CCC2)C1)C(C)C 1740927136 RKFWQLMJCKUJOW-XMMPIXPASA-N 449.643 4.711 30 10 IJEE CCC(CC)[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1)OC 1743984697 GDZLCVIIWKQFBJ-NFBKMPQASA-N 447.986 4.806 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCCS1 1748656602 UDWJCXMIPOYNLU-DZGCQCFKSA-N 437.382 4.590 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1748708771 GGZHVCZOHJGMCH-UHFFFAOYSA-N 437.588 4.632 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1748723944 DRSNDRRCTPOEEY-UHFFFAOYSA-N 432.355 4.707 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1748760896 IWWDFIWLEQSKCQ-NHCUHLMSSA-N 442.991 4.708 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CCCO)CC1 1749174689 YJKHMJHTPDDMAX-UHFFFAOYSA-N 433.600 4.918 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1749457127 GNYCHOPEJSYWLP-UHFFFAOYSA-N 447.023 4.899 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(C)CCCS1)C1CC1 1749515036 PPUOFLPFPHJIOC-HSZRJFAPSA-N 428.602 4.793 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccc(OC)cc1OC 1749613834 JIZKIESDEYAPPJ-MRXNPFEDSA-N 438.597 4.971 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749689317 HDBXSKZRPASULH-NZQKXSOJSA-N 431.584 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cc(C(C)(C)C)no1 1760122958 VLIQKRXCXLUSSO-SFHVURJKSA-N 449.599 4.946 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCC2(CCOCC2)C1 1760141838 JHBZMSCWLGWQCS-UHFFFAOYSA-N 436.600 4.674 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC2CCCC2)CC1 1760145858 WOKAXZCFCMRYAG-IBGZPJMESA-N 440.563 4.899 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1Cc1nnc(C(C)(C)C)s1 1760240699 ZHWGCSDIMDMVSS-MRXNPFEDSA-N 440.592 4.768 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)C1CCCCC1 1760285558 JYYPFUPPQVNUNM-SFHVURJKSA-N 430.593 4.768 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[C@H]21 1760303189 FVMHDIKVHVJPIH-GHMZBOCLSA-N 444.196 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760415993 QZKJVULSUGCDCD-SFTDATJTSA-N 439.648 4.941 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC=C(COC)CC1)c1ccccc1 1760419768 BTMXBYIBABNFHR-JOCHJYFZSA-N 449.624 4.777 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1760442091 FTMSVEGLVWBXRX-AZUAARDMSA-N 435.597 4.618 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)CC[C@@H]2C)cc1 1760531383 NOVKSOFIPFIJPD-ROUUACIJSA-N 437.613 4.872 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCC(F)(F)C2)c1 1769911941 BRJTTXKWQWMYFP-QGZVFWFLSA-N 445.514 4.528 30 10 IJEE C=CCc1ccccc1OC[C@@H](O)CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 1772765628 CZQVWTBBQUKDBF-AOMKIAJQSA-N 440.342 4.674 30 10 IJEE C[C@](C#N)(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 1858042054 KNBMXELMNCMMFA-QGZVFWFLSA-N 428.113 4.690 30 10 IJEE Cc1nc2c(cc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c3cccc(C)c3n1)CCCC2 1859762732 FCQMVFQMMLPKIN-UHFFFAOYSA-N 436.519 4.744 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861162075 AYUQWDXLSLCGRC-NRFANRHFSA-N 447.639 4.799 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862431152 ASFNDMGYGLSMHS-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)cc1 1862475834 VRBVZWCOKDZYFL-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 1862515167 ALPWLFVQHKBSRB-SBUREZEXSA-N 437.536 4.558 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862563770 KZGCFSKRQJOMHX-JOCHJYFZSA-N 448.544 4.898 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862593984 NVEHHDIMJMEOSV-IVZQSRNASA-N 444.443 4.640 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862619829 CWEAENYXFXEMFU-OAQYLSRUSA-N 435.520 4.759 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC)cc1OC 1862622613 GBDGXVPGAXLWCT-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2c(Cl)cccc2Cl)cc1 1862668342 WRNBCBHPYUHEBI-IBGZPJMESA-N 434.319 4.687 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862689642 VVHSODRLDFLVIK-HSZRJFAPSA-N 449.503 4.575 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862694789 RYVMTUCWZFYHPY-QPJICYPMSA-N 449.503 4.550 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862708761 DITRKTFULZVNFU-XMMPIXPASA-N 443.499 4.872 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863330972 DGVOGFIAOMDRCQ-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 1870106133 YOIWYGIDFZFPQX-GOSISDBHSA-N 431.540 4.851 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2cc3ccccc3n2C)cc1 1870161014 VSGOWGBUMAFMCU-UHFFFAOYSA-N 432.487 4.858 30 10 IJEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1871200316 KPJLNLVNYKVCAP-UHFFFAOYSA-N 439.339 4.675 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871252295 TVROLUHQNOIUGS-UHFFFAOYSA-N 441.535 4.833 30 10 IJEE CCN(CC)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1 1871254465 XBTCEJOOGCUNBK-UHFFFAOYSA-N 444.579 4.643 30 10 IJEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 1871348617 JGCCAKMYKCHSQP-QRVIBDJDSA-N 441.462 4.713 30 10 IJEE CCN(CC)CCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871351189 OVAPLJJHBIMZFB-MTJSOVHGSA-N 430.907 4.589 30 10 IJEE O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 1871353010 LNDKCXGELRUQNW-MYZDVROVSA-N 429.516 4.538 30 10 IJEE CCN(CC)CCCCN1COc2c(cc3c(c2C)O/C(=C\c2cccs2)C3=O)C1 1871355102 RWKZBHAIPKOKDW-STZFKDTASA-N 426.582 4.947 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)cc(C)c3C2=O)c1OC 1871369567 RHUYLKAVKNMXQP-SOFGKXIESA-N 432.428 4.840 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4)c3C)C2=O)o1 1871443528 WHPXPRXIRTWEDX-JMIUGGIZSA-N 425.387 4.808 30 10 IJEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871447155 NYSJOANBXDNHMV-HMAPJEAMSA-N 444.443 4.927 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 1872058907 CBZLHXOLLKXXMT-OAQYLSRUSA-N 436.524 4.647 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872519920 MYUCYUZFNUFVBS-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=CCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2cccc(Cl)c2Cl)C1=O 1873341395 DRXAUSLYYMLKRT-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE Cc1nc2c3ccc(Br)cc3nn2c(C)c1CCC(=O)Nc1ccccc1C#N 1873868998 ZXDZHIHBFPBTSE-UHFFFAOYSA-N 448.324 4.705 30 10 IJEE Cc1cccc(CSc2nnc(COc3cc(F)ccc3F)n2/N=C/c2ccc[nH]2)c1 1874260086 HFBQMLJBFQARSG-RPPGKUMJSA-N 439.491 4.946 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(O)c(OCC)c1 1874371944 ZKTFOSLYIVFXNS-LPYMAVHISA-N 428.583 4.780 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)ccc1O 1874459388 KVIXMVOCLDDTCM-YSURURNPSA-N 440.422 4.715 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1sccc1C 1874482432 DHNOQWLZEZEWLZ-WSDLNYQXSA-N 427.599 4.867 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C2CCC2)cc1OC 1874497771 ZLUIMQTYZJLIAN-JJIBRWJFSA-N 446.617 4.870 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc(F)c1)c1ccccc1 1874497781 ZZOYSDAMABNCCJ-MMDHUZEPSA-N 437.544 4.536 30 10 IJEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 1874575525 RJIKOXPIWNWKKF-CCEZHUSRSA-N 432.476 4.891 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(N)=O)c2Br)cc1 1874593280 BJKOXKHEASWBQN-ZRDIBKRKSA-N 446.341 4.561 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1C 1874602357 HPIUICZZJODCFY-ZRDIBKRKSA-N 446.459 4.825 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCCO 1874631201 PKGOMVJIJSTMHZ-AATRIKPKSA-N 441.307 4.677 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)c1ccncc1 1874696709 CVRKTNDEIFHYMW-KRXBUXKQSA-N 438.277 4.968 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1875097259 BODRGMLFJTUETP-WEVVVXLNSA-N 428.444 4.984 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 1875099473 KMINXIMDMHSJQD-CSKARUKUSA-N 443.452 4.612 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)C3CCC3)c([N+](=O)[O-])c2)cc1 1875130717 ORZUVHCMLNTEPZ-MDWZMJQESA-N 439.464 4.994 30 10 IJEE Cc1cc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)ccc1Cl 1892138173 ZDIHFJKYUBHIME-RTWAWAEBSA-N 427.957 4.552 30 10 IJEE Cc1cccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C#N 1902371072 CKEZBZRYHAMPGO-UHFFFAOYSA-N 437.499 4.877 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 1912154720 NHMWKNUEOJHONP-UHFFFAOYSA-N 448.568 4.997 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)c1cc(Br)ccc1F 1922075477 XDUKJMHLOAKSAV-VXKWHMMOSA-N 436.365 4.937 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccs2)s1 2033813801 HIZORWOTUAFUJA-LJQANCHMSA-N 439.514 4.625 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2(CCC2)C1 2075898343 MCUBXYMRUMHJOV-SJORKVTESA-N 448.568 4.853 30 10 IJEE CC(=O)Oc1ccc([C@H](n2nc(C3CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080070577 FDUDZLLKLRBWGK-SFHVURJKSA-N 434.334 4.892 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2110509567 KOFLKXYLNBYPCD-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1c(F)cc(Br)cc1F 2114281624 PNSGUIGCGJBBCK-DOMZBBRYSA-N 431.277 4.708 30 10 IJEE Cc1nc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2116073034 LMGCSMZPQWNNIS-JTHBVZDNSA-N 436.405 4.509 30 10 IJEE C[C@H](C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2124540066 CHPWIPNXPDLXPA-DMKPSLHHSA-N 444.381 4.878 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(F)ccc(F)c2Br)C1 2126684121 GAIMXUGHTCZVNY-MRXNPFEDSA-N 431.321 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(c2ccc(Br)cc2C#N)CC1 2174768399 TWYPLQHBZRARQO-HNNXBMFYSA-N 448.283 4.699 30 10 IJEE CN(C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)c1ccccc1C#N 2181052449 FSOZSZLTSIPXLS-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(Oc2cc(Br)cnc2C#N)CCCCC1(C)C 2201531890 AZJYPAPGABFBOP-FQEVSTJZSA-N 438.366 4.958 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(CC#N)C1 2243925646 YXYPUEAHKDOTDH-ZPHNUYGRSA-N 445.563 4.748 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#Cc1ccccc1Cl 2245956507 RDSZRUYFMSYADV-HSQYWUDLSA-N 429.944 4.551 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)c(F)c1 2268637284 BHADBGQLMQORSH-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2296227899 UEDBERXTNSXDSD-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](C(=O)C#Cc3cccc(Br)c3)(C2)C1 2296230141 QGWYYDXQDQXMLL-HTAPYJJXSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296277093 OMDCTQKHGLZGQL-DJPFJPOOSA-N 440.353 4.585 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 2296279442 OWELTZBNOWMSDL-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C 2296289434 RONPHPPGECBKKX-PWIZWCRZSA-N 435.406 4.957 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2296294561 VTGZXJJEZOLLJD-QUCCMNQESA-N 437.422 4.966 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cccc(F)c3)S2(=O)=O)cc1 2296957085 VVTKWHXUMAIETB-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1sc2c(c1C#N)CCC2 2297453717 POZFDYBFLZMKMG-UHFFFAOYSA-N 427.327 4.589 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 2297741531 KHYSJJMFLSVBOI-IBGZPJMESA-N 432.457 4.524 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(F)cc1 2314477076 AQTNJCQEGSIXAC-XMMPIXPASA-N 436.527 4.536 30 10 IJEE CC(C)[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317359199 YFQBTMBKBUORLV-HHNLSAEISA-N 432.370 4.654 30 10 IJEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)cc1 2322038148 BVEGHTWLNQEMHA-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322170696 VLTBBTFRGKRVSH-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE CCOc1ccc(C=NNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1OCC 2322611795 RAMNWKPGGFWKBH-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE CCCOc1c(Br)cc(C=NNC(=S)Nc2ccccc2)cc1OCC 2323047759 ZLLRYABAIGJZDZ-UHFFFAOYSA-N 436.375 4.957 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)C=Cc4ccco4)cc3)CC2)c1 2325027604 GECDSEDQYZZJJN-UHFFFAOYSA-N 426.472 4.790 30 10 IJEE Cc1c(OCCN2CCOCC2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2325675176 LKMSZKHLDRSOBV-UHFFFAOYSA-N 434.319 4.629 30 10 IJEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1[N+](=O)[O-] 2325690191 QCYZLTCLPYJQDP-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2325723721 AAOCUDHIBNOGDR-UHFFFAOYSA-N 434.879 4.986 30 10 IJEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326546478 LFXMXAYCXGXKRE-UHFFFAOYSA-N 431.905 4.585 30 10 IJEE COc1cccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCCCO)c1 2326618200 ZVOPUOXUDCMNJE-UHFFFAOYSA-N 446.576 4.582 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccccc2OCC(C)C)cc1 2326783488 PUEOZRIMCNOVSB-UHFFFAOYSA-N 438.553 4.582 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(=O)OC)cc1 2327976868 UVNFPPGAMPVNLD-UHFFFAOYSA-N 442.972 4.888 30 10 IJEE COc1cccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)c1 2329668947 DNNXDLCJKMSJLV-GMAHTHKFSA-N 435.568 4.517 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(Cl)c1 2329866981 QIKBQNWAGUJKCP-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc(OC)c(OC)c1)[C@@H](C)CC 2330087583 GBYYMBMCYJEXNX-CYFREDJKSA-N 432.605 4.725 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1OC 2330710827 RNJTYTWOIWDSCP-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(F)(F)F)cc1 2331108776 OWXINJMRTWQGSR-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(Cl)cc2)o1 2331451350 UPFJWLSDVHCNGV-UHFFFAOYSA-N 432.933 4.684 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cn(C)c2ccccc12 2331638851 XVXDPMCVCZCBAP-UHFFFAOYSA-N 446.580 4.644 30 10 IJEE Cc1cc(Oc2cc(Br)cc(I)c2)c(C#N)cc1N 2338762987 LOESMJSSRBSXKF-UHFFFAOYSA-N 429.055 4.608 30 10 IJEE CC[C@@]1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339583016 UKYYODTZTGTUSA-SWDTZWKESA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339602562 LYPYZWIUTPUURM-XMMPIXPASA-N 444.381 4.895 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2369625116 NFMQYPVHWZSSHU-POMLREGLSA-N 447.428 4.768 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C/c1ccco1)C2=O)c1ccc(Br)cc1 2431345 RJAWJOSQCDMTAQ-RGVLZGJSSA-N 425.234 4.920 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1ccc(C)cc1 10146234 GGAMEXKYKZDTNC-INIZCTEOSA-N 435.553 4.517 30 10 IJEE C=CCNC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21 14461024 GDLOSKPMDZBLHF-NVAPDCRFSA-N 425.326 4.897 30 10 IJEE Cc1cc(C)cc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2cccc(C)c2C)c1 32973703 FLMQENGYSNOCJL-UHFFFAOYSA-N 431.584 4.711 30 10 IJEE CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2cccc(Cl)c2)S1 34690778 WGMQLHFTLMDWKM-BJUXRVGASA-N 436.364 4.651 30 10 IJEE COc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)c1 34848300 SKXMIZVXINEAHY-SSVKHQHASA-N 425.484 4.873 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C(C)C)cc2)c1 35278520 ZOWARFCXKJZIPK-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE Cc1ccc(NC(=S)N/N=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1F 59167315 FIOYXAUYBFCXHQ-BHGWPJFGSA-N 429.952 4.970 30 10 IJEE CC(C)(C)NC(=O)CSc1nc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1 59517484 VYTVGFSSVJHTOF-SRZZPIQSSA-N 428.539 4.962 30 10 IJEE C=CCn1c(SCCC(=O)NCc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 59794991 CFIZPHQRXFOALS-UHFFFAOYSA-N 442.972 4.592 30 10 IJEE CCCCCCOc1ccc(/C=N/Nc2nnc3c4ccccc4n(C)c3n2)cc1OC 64981377 GNCZHNPLVZIHLA-PCLIKHOPSA-N 432.528 4.930 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 169956480 MRTIGJOPNFYDOB-JOCHJYFZSA-N 447.922 4.580 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccn2)c1 169990793 YNSPNTXTXCDSKQ-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCOCC2)C1=O 170000748 WHGOLRZMQXBFJH-UHFFFAOYSA-N 426.601 4.856 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccnc2)c1 170009908 VJAVWHALVBXYST-OAQYLSRUSA-N 434.879 4.840 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170031127 FERAUNDXQFTIDO-QHCPKHFHSA-N 442.471 4.938 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2)cc1 170052821 RWEAXHOPQVDZAE-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2)cc1 170053538 FXFLFAWACYBJEO-HXUWFJFHSA-N 447.516 4.501 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCCOC)c1 170112178 GNQYOUDBHNBBDK-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccccn1 170181274 YCVNQOMXDRMNPS-IBGZPJMESA-N 428.916 4.821 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)c(C)c1 170203609 XFGPSFUIIIJSNW-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170223076 RIXBNSJCOFEENH-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2CCOC)cc1 170264785 PNLTUENYZFLJJP-QHCPKHFHSA-N 437.536 4.509 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170281299 SDUXTJVIWIYXSH-QHCPKHFHSA-N 443.455 4.670 30 10 IJEE CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N[C@@H](C#N)c2ccc(F)cc2F)cs1 208412948 OJCXMYSIYPKPFT-WSCHBXBGSA-N 438.459 4.500 30 10 IJEE COc1ccc(Cn2cnc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)cc1 217048190 YDAPHGKUZKINKU-UHFFFAOYSA-N 435.789 4.636 30 10 IJEE COc1ccc(N=C2S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2ccccc2)cc1 254484465 AUQLFDJUAJZFGP-JOCHJYFZSA-N 445.544 4.856 30 10 IJEE N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c(Cl)c1 426127207 HTLNUTQJQMRXEC-UHFFFAOYSA-N 447.764 4.760 30 10 IJEE C=CCn1c(SCc2noc(Cc3ccccc3C)n2)nnc1-c1ccccc1OC 434206625 PPJCLQWWLHEQPC-UHFFFAOYSA-N 433.537 4.714 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)nnc1-c1ccco1 482163000 JIUIFQYQNBJRLW-KRWDZBQOSA-N 442.972 4.876 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 508461087 IJNSMUSBQVFGTB-UHFFFAOYSA-N 436.869 4.841 30 10 IJEE CN(C)c1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526635962 FADRNHBMOARUOV-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1OCC 526829143 UMDRLMZSEKPTEY-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 541396782 VFDJQMJQRYOZGD-JOCHJYFZSA-N 446.595 4.946 30 10 IJEE C=C(C)Cn1c(SCc2nc(-c3cc(C)c4[nH]cnc4c3)no2)nnc1-c1ccco1 546432707 CFCFDDJGMSWGJB-UHFFFAOYSA-N 433.497 4.641 30 10 IJEE C[C@H]1CCc2c(sc3nc([C@@H](C)N(C)CCOCc4ccc(C#N)cc4)nc(O)c23)C1 558173005 ODZQZDKTLYOHTM-JKSUJKDBSA-N 436.581 4.603 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 558451503 AEWSJERPRAHVLS-UHFFFAOYSA-N 444.919 4.587 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 565669062 BVSYVPAZPSLZEW-GOSISDBHSA-N 439.585 4.591 30 10 IJEE CCCCCCC(=O)NC1CCC(OS(=O)(=O)c2ccc(OC(C)C)cc2)CC1 586509237 UMVBKFOVEKGIIV-UHFFFAOYSA-N 425.591 4.577 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(Br)c1F 698380383 IOLXTDVEEOSUDA-INIZCTEOSA-N 428.346 4.732 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)COc2cc(O)ccc21 698467129 CQEYRVMIWPETEC-FQEVSTJZSA-N 431.286 4.708 30 10 IJEE C=CCN(C[C@@H](Cc1ccc(Br)c(F)c1F)NCC)C(=O)OC(C)(C)C 701318709 OYOGEQAXHIHCAN-CQSZACIVSA-N 433.337 4.671 30 10 IJEE C=CCN(C(=O)c1cc(Cl)nc(N(C)C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 733088978 VVHDVUADJXLSIM-UHFFFAOYSA-N 443.916 4.666 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccoc1COc1ccc(C=O)cc1 735350777 QRLUPVDWCGGRGW-UHFFFAOYSA-N 425.824 4.584 30 10 IJEE Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1C#N 741369258 OSDRJLVSGGWXQY-ROUUACIJSA-N 441.409 4.798 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(OCc2nc(C(C)(C)C)no2)cc1 741589981 WKUBNEIQVCJMOU-JOCHJYFZSA-N 449.507 4.827 30 10 IJEE C/C(=C\C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 742606372 JFLAFWDILPXHPY-JNMQVBFRSA-N 445.466 4.521 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc1OC 751310094 YGWQXDGEKWTCKZ-SQFISAMPSA-N 443.547 4.909 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(C3CC=CC3)C2=O)cc1 759689753 CEKZGHRRBCABKZ-JOCHJYFZSA-N 447.560 4.877 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1sc2cc(Cl)ccc2c1Cl 787059090 IOIMIHJJSWWMFA-CQSZACIVSA-N 448.287 4.755 30 10 IJEE C#CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)CC(=O)Nc1c(C)cc(C)cc1Cl 914867490 WTJOGHUWFPSVBJ-UHFFFAOYSA-N 446.378 4.739 30 10 IJEE C#CCOc1ccc(C=Nn2c(C)nc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 920985799 WFIUWSFQUJMPHC-UHFFFAOYSA-N 433.920 4.981 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)cc1C#N 1127399232 CCVHWGYFWXXQET-UHFFFAOYSA-N 430.386 4.889 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 1128151536 BNIBVYJKRRQPGX-OAHLLOKOSA-N 436.965 4.691 30 10 IJEE CC#CCN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1141570237 FNVVUIJPCMHDOK-UHFFFAOYSA-N 445.375 4.815 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1OC 1157347819 WKDWXZYLYVZZIH-FVXMCEBTSA-N 436.335 4.820 30 10 IJEE C#C[C@H](NC(=O)CSc1nccn1-c1ccc(C)c(C)c1)c1ccc(Cl)cc1F 1157507541 IDOPKPMOJMIPHX-FQEVSTJZSA-N 427.932 4.864 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(OC)[C@H](C)c2ccccc2OC)s1 1165806846 BWNGFDZLXKVFAW-CQSZACIVSA-N 426.991 4.998 30 10 IJEE COC(=O)c1ccsc1N1CC[C@@H](N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1=O 1193293282 HKHFTZNQUBMREL-OPAMFIHVSA-N 445.544 4.529 30 10 IJEE C#CCOc1ccccc1NC(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C 1203534783 ZCAGYHPGLHLRHG-FQEVSTJZSA-N 449.551 4.967 30 10 IJEE C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)[C@H]1OCCc2sccc21 1205103897 BAVCYINCBIBRSS-OYHNWAKOSA-N 449.580 4.927 30 10 IJEE C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)N(C)c1ccccc1 1220625713 GZYQQMBCGIGACN-HXUWFJFHSA-N 430.527 4.934 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1ccccc1OCC(C)C 1229742644 AMFVCLSPJJVUNG-NRFANRHFSA-N 430.589 4.795 30 10 IJEE C=CC[C@H]1N(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CCCC1(C)C 1248377416 LNLKJBIFHSWHSL-VQTJNVASSA-N 449.636 4.569 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2ccccc2Cl)C1)c1ccc(Br)cc1 1252459310 QIQXUGQOLKZLRW-OALUTQOASA-N 433.733 4.560 30 10 IJEE C=CCOc1ccc(OC(=O)[C@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 1265465353 ZSZUMWVJBLUZKC-URWPNFCTSA-N 425.912 4.905 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(COC(C)(C)C)on1 1286277602 FORBXJUOWKJOKS-XMSQKQJNSA-N 435.572 4.629 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1286334392 VMWLRAFCSSQIAP-UHFFFAOYSA-N 435.616 4.814 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)C)C1 1286335820 SYJHFRQYUIETTN-FQEVSTJZSA-N 433.021 4.889 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(Cl)cc1 1286528472 BYKASPFCSACAIJ-YOSAUDMPSA-N 426.992 4.891 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](OC)C(C)(C)C1 1286554845 ZLYZMQZLNMUDNI-BEVDRBHNSA-N 448.970 4.580 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN(C)[C@H](C)CC)CC1 1286663731 HZCGOAGUGFSNQR-OAQYLSRUSA-N 425.621 4.607 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 1286678949 HOFFAJQTFSEIMQ-QGZVFWFLSA-N 432.494 4.589 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C)CC1)C(C)C 1286751362 PIHIVAWGSRIQJF-DEOSSOPVSA-N 430.600 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1cccc(C)c1 1286753164 WHWLPSNEMPFFOY-UHFFFAOYSA-N 442.361 4.602 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1286757844 XGPGQKWEDJVQRE-ZEQRLZLVSA-N 435.616 4.844 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(C)C)C1 1286831208 BGFKKAUXSOQNFX-RXVVDRJESA-N 428.602 4.582 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 1288552224 OFISFDPKKOEXLC-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(C(F)(F)F)c1 1300324901 OIOJZPIAIGQLHE-INIZCTEOSA-N 445.514 4.799 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCN(C(C)C)C1 1300606772 UAZDLEMEBIGEAL-FQEVSTJZSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1300643893 OZADXHDKPUPZFW-MOPGFXCFSA-N 446.064 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1300868790 HMWLIUCVHAYUBQ-YTXYEVPYSA-N 433.021 4.910 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1301027723 WNZWZQSRBBKOKF-MRXNPFEDSA-N 434.327 4.827 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](OC)C2CC2)CC1 1301105070 CHRUBKHHAINURP-IIBYNOLFSA-N 430.980 4.899 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1301129948 IDCDXTXFNKOMPF-XMMPIXPASA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301158619 KGXHSLQWQRJRFD-HXUWFJFHSA-N 430.568 4.850 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cccc(Cl)c2)nnc1[C@]1(OCC)CCOC1 1301159325 YPAPERVQKYEALN-QHCPKHFHSA-N 432.996 4.822 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301198572 MXGZJWLCXQXIMK-NHCUHLMSSA-N 425.646 4.908 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCCc1ccnc(C(C)(C)C)n1 1301304473 AGSKHDLKHHMEJL-UHFFFAOYSA-N 434.588 4.508 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1Cc1csc(COC)n1 1301349169 HGIJGTQYFKHMBU-UHFFFAOYSA-N 429.565 4.559 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CC[C@H](F)C2)cc1C 1304407969 CBTLIFHUKWVMCH-SFTDATJTSA-N 425.552 4.742 30 10 IJEE C[C@@H]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1304964802 GOIGFUBSFIITMB-SXGZJXTBSA-N 432.341 4.586 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cscc2Br)c1 1309146232 STEHUJCGLQOXFZ-UHFFFAOYSA-N 438.393 4.949 30 10 IJEE Cc1nc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)ccc1C#N 1342049230 JKNGMNDLXKJTGZ-QFIPXVFZSA-N 439.437 4.657 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc(Br)c(CC)s2)c(C#N)c1C 1348975820 ABDOPVPJEWSHRX-UHFFFAOYSA-N 427.345 4.744 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 1358078470 YDBIZGJBFBJFKY-UHFFFAOYSA-N 437.543 4.759 30 10 IJEE CCCCc1ccc(N2C[C@H](C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)CC2=O)cc1 1358125289 FVTPOUFTGYWQOJ-XMMPIXPASA-N 427.548 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1csc(-c2ccco2)n1 1358898094 MDFCZVHUABVEQF-KRWDZBQOSA-N 447.564 4.642 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC[C@H](C)C1 1358981194 AMSYEVVFWQRFSS-FPOVZHCZSA-N 439.003 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(F)F)C1 1359094281 ZABIUZXBMGCOOQ-ACRUOGEOSA-N 430.543 4.970 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)CCC)CC1 1359182094 SDCZDGXFMOZAIH-HSZRJFAPSA-N 430.618 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1359191876 OIDHRNLGOPKXPS-JOCHJYFZSA-N 437.632 4.751 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCC1 1359271625 ZPKOKVPCKNFXBW-FQEVSTJZSA-N 429.609 4.761 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)CCCS1 1359279683 PFUYQKPNJHSKQF-OAQYLSRUSA-N 437.009 4.532 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1359340658 UXNFYJJQHXKHOK-UHFFFAOYSA-N 435.597 4.616 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1359926772 AXZQIKGDNYVQKE-WOJBJXKFSA-N 434.588 4.744 30 10 IJEE C#Cc1ccc(NC(=O)CCc2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)c(Cl)c1 1439800763 DSOFPLGLQNZMLJ-UHFFFAOYSA-N 446.290 4.613 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1449317212 LDLXRVGYVGKPHB-FOIQADDNSA-N 436.955 4.943 30 10 IJEE O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1 1458971717 FZCDWSAVTRCEDP-UHFFFAOYSA-N 447.314 4.873 30 10 IJEE C#C[C@@H](NC(=O)c1cncc(-c2ccc(OC)cc2C)c1)c1ccc(Br)cc1 1460783611 DOEHVIAVUUURSD-JOCHJYFZSA-N 435.321 4.932 30 10 IJEE C=C(C)c1cccc(NCc2cc(Br)c(OCC(=O)N(C)C)c(OCC)c2)c1 1461815964 ZNDXUPIZIOKWNL-UHFFFAOYSA-N 447.373 4.960 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(/C=C\C(=O)OCC)cc2)CCCN1C(=O)OC(C)(C)C 1462400424 YJPLTCBOYFBTKF-ABQONYIQSA-N 428.529 4.547 30 10 IJEE C#CCN(C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(C)(C)C 1462857869 JBNVAJDMEZFRBN-UHFFFAOYSA-N 432.442 4.597 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccnc1 1463617347 GGVPRMOHKBSKNN-VWLOTQADSA-N 441.531 4.571 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Nc1c(F)cccc1F 1466440370 LJPOCMJKTYHPHY-IBGZPJMESA-N 429.467 4.954 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 1467699378 HRCVQNDQFSRKMD-KRWDZBQOSA-N 443.803 4.660 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(Br)cc1 1470662447 FHGLMSNPPVCTGF-KXBFYZLASA-N 446.776 4.603 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCCCC2)cc1 1475974012 QZUUENUCRAPGFU-QHCPKHFHSA-N 441.597 4.936 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cc(C(CC)CC)no1 1507521044 UVATXCKVTGUHRI-QGZVFWFLSA-N 443.555 4.733 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCO)Cc1ccccc1 1507557537 LSFWIBIAYAXSPD-FQEVSTJZSA-N 448.636 4.934 30 10 IJEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC(C)C)C1CCCC1 1507572603 PKYCQHWMBHWXRK-UHFFFAOYSA-N 442.007 4.680 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nc(C(C)C)cs1 1507609808 GIHMFQMZNCVTAF-UHFFFAOYSA-N 448.365 4.544 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1507679662 PEQYPVSKIURTQG-ZCNNSNEGSA-N 444.023 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](C(CC)CC)N(C)C 1507766639 WGZCAYZHRADVPF-XUZZJYLKSA-N 428.024 4.957 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1507779773 GYRCREBTWGPHJO-LJQANCHMSA-N 443.345 4.587 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(OC(C)C)c1 1507800132 MCIRKYJRDCHIOF-REWPJTCUSA-N 435.572 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC1(C(=O)N(C)C)CCCC1 1507814073 JDLZBIILDZSREP-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCC[C@H]1C 1507816562 OSWMRMZCCYHFDK-CLOONOSVSA-N 442.604 4.694 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@]2(CC=CCC2)C1 1507910481 TTZTXKYIJCGWGC-RUZDIDTESA-N 434.588 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1507913029 NMINQEVNHXWLJX-UHFFFAOYSA-N 447.509 4.640 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(OCCOC)CC1 1507941666 IGWDPMRDZRDSOO-GOSISDBHSA-N 444.645 4.729 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@@](C)(CC)O1)C1CC1 1507991857 VQLCGSQWOHCFSB-SQJMNOBHSA-N 437.588 4.650 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CCN1CCC[C@H](C)C1 1508003074 SEAGGRPQZIHVGT-NRFANRHFSA-N 435.641 4.855 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CC(=C)Br 1508007341 ADILSSVYAOQQLU-GOSISDBHSA-N 435.341 4.760 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)N(C)C 1508009572 SNMKGEKABMQHGS-UHFFFAOYSA-N 437.613 4.585 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[C@H](O)C1 1508009818 BPTJVKFYRCTGLS-BJLQDIEVSA-N 430.980 4.801 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)CCCN3CCN(c4ccccc4)CC3)cc2)c1 1521271466 IFJDHZSPTONMAC-UHFFFAOYSA-N 440.547 4.891 30 10 IJEE C=CC1(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)CCCCC1 1521771641 PARSYZAMYWPVTP-UHFFFAOYSA-N 447.645 4.782 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1524663156 GOBMZYFGAVUWAV-SNVBAGLBSA-N 434.311 4.855 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1525031928 FWNLGMQSPWQEKY-QINHECLXSA-N 425.916 4.835 30 10 IJEE C=CCCO[C@@H](C)C(=O)OCc1cc(Br)c(Cl)c(Br)c1 1525107204 IIMJCOSIQBGENZ-VIFPVBQESA-N 426.532 4.889 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1cc(Cl)ccc1Br 1526557637 HNNCTZUYNOEFML-UHFFFAOYSA-N 428.511 4.667 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1sc(SCC(=C)Cl)nc1C 1528704002 SVTUWLBNLYKGHX-UHFFFAOYSA-N 442.997 4.974 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc1OC 1528911868 LXLFYWLJHOOSSB-PEBGULEFSA-N 434.580 4.642 30 10 IJEE C=CCOc1ccc(CC(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2)cc1 1529165280 ZEMDODIOEJRQCT-RUZDIDTESA-N 426.516 4.781 30 10 IJEE CC(C)Cc1cccc([C@@H](C)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 1529591997 IFXNMSDQPZXVAM-HXUWFJFHSA-N 426.564 4.757 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(COc3cccc(C(C)=O)c3)on2)C(F)(F)F)cc1 1532570110 JQDJMEKVPFVING-OAQYLSRUSA-N 443.377 4.898 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(-n2ccc(C(=O)OCC)n2)c(F)c1 1535083286 XPPPKYHNBOQEID-UHFFFAOYSA-N 425.485 4.719 30 10 IJEE C[C@@]1(c2cccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)COC(=O)N1 1536633288 AHLNQWSZVRZBFB-DEOSSOPVSA-N 429.501 4.917 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)[C@H](C)COC 1538864754 SMYDIKIMBYPPGC-OAHLLOKOSA-N 440.341 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(N(C)C)cc1C 1539155954 ZFTIDFVRSUAZNU-KRWDZBQOSA-N 433.625 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1539621734 BKRGJIPSGGHJHJ-HQRMLTQVSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)c1nccs1 1539646333 VMGLTRZDYJCMQS-GOSISDBHSA-N 438.601 4.810 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1539691217 PGZKQBPAKUEIPU-UHFFFAOYSA-N 443.393 4.579 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1539821642 RIZSMSLYXMBOSQ-INIZCTEOSA-N 447.967 4.898 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC2CCCC2)C1 1540883671 CROXUBJPCGHNIP-SFHVURJKSA-N 448.409 4.787 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(Cl)s2)C1 1540896495 NBXXWVWATWCMPQ-KRWDZBQOSA-N 448.951 4.541 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](C)[C@H]3c3ccc(C)cc3)ccc2c1=O 1544500965 FNQQKQMZJKBIOZ-JTSKRJEESA-N 433.577 4.793 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(n1)CCCC2 1545719252 CQSRQGQZOQIKMT-WMZHIEFXSA-N 428.584 4.738 30 10 IJEE C=CCOc1ccc(CNC[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)cc1Cl 1560522812 HETWMAZEHUZTRY-KRWDZBQOSA-N 440.893 4.618 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1)c1ccc(F)c(F)c1 1564598109 ZOSBCPFIXISQCH-GHTZIAJQSA-N 435.515 4.815 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)[C@H](C)C4)[C@@H]3C[C@H]12 1565538077 NXYQZNKEFFIDPK-NXOYBBFESA-N 438.612 4.520 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1Br)C(C)C 1585129782 ZBAQDPUBNQHLRC-QGZVFWFLSA-N 449.311 4.776 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1ccccc1 1585924879 PLQDPVXLFYZFSV-OALUTQOASA-N 432.442 4.762 30 10 IJEE C=CCOc1ccc(CNC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C(C)C)nc32)cc1 1587062386 YEDDAXDJAVXWCD-UHFFFAOYSA-N 446.473 4.763 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(C)nc(N2CCCC2)c1 1587562605 RDRLVBFDOPDIHW-QPPBQGQZSA-N 442.611 4.630 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC2(CC2)C1 1587718295 BRDSGVFSWRCMJL-UHFFFAOYSA-N 443.389 4.900 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1587723304 IDTXSMODPVDLSV-MNZLEMJZSA-N 431.353 4.885 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(-c2ccsc2)nc1 1588293234 SMWMROFPWWQVDL-UHFFFAOYSA-N 429.549 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1Cc1cscc1C 1589251679 QTJRDBXKTFSPHQ-HSZRJFAPSA-N 438.622 4.989 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]2CCC[C@H]21 1589421445 MUOZMMVEHWNEON-RDTXWAMCSA-N 437.332 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CCOc1ncccc1Cl 1589668693 BCMXODIEJCRYRH-UHFFFAOYSA-N 429.927 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCc1ccc(OC)c(Br)c1 1589694473 KHCVCKFGGVMILQ-LJQANCHMSA-N 449.393 4.546 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1593643339 XNGXOLWPZAKCMH-SFHVURJKSA-N 425.577 4.529 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1594102649 VJOIVTOBUPKFJF-XMMPIXPASA-N 447.583 4.595 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@H]1C(=C)C 1594914252 YUOABAPTSOCZFZ-CVDCTZTESA-N 434.540 4.721 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1594930292 YWEPRWUXHBBVCG-AZUAARDMSA-N 425.577 4.521 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1595134159 TXBDUGWHFBWINE-VQTJNVASSA-N 425.596 4.683 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1595212058 LKHIWCQYPAPPQX-UHFFFAOYSA-N 433.600 4.789 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1CC(=C)Br 1595259891 DKJMGZQLFOAJQP-UHFFFAOYSA-N 433.375 4.667 30 10 IJEE C/C(=C/C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccc(F)cc1 1616284659 LWYGASBQBJRVET-IMVYOHCJSA-N 431.298 4.858 30 10 IJEE N#Cc1ccccc1N1CCC(NCc2cc(Br)ccc2Br)CC1 1621025771 GFJGXVHRENSRGZ-UHFFFAOYSA-N 449.190 4.842 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c1 1621744510 INUHXMMLPOAWPD-UHFFFAOYSA-N 438.574 4.719 30 10 IJEE CC(=O)c1ccc(S(=O)(=O)Oc2ccccc2Oc2ccc(C#N)cc2F)cc1F 1621932578 DRYLVUVVLRXLGP-UHFFFAOYSA-N 429.400 4.599 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2cc(Cl)c(OC)cc2Br)CCCC1(C)C 1622084287 TXSUAADEICGABN-MRXNPFEDSA-N 436.799 4.867 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3CCCN3CC(F)F)cc2Cl)c1 1623028289 BRFQKFILGGXGLT-GOSISDBHSA-N 448.901 4.642 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 1624572729 GXZDNHVYSTZAAB-QHCPKHFHSA-N 432.911 4.550 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Nc3cc(OC)c(Br)c(OC)c3)cc21 1627746657 OWZJOJUKVSTQGG-UHFFFAOYSA-N 431.290 4.646 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1627870954 SMGKIVKBRADVEQ-SANMLTNESA-N 426.495 4.817 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnoc1 1632211809 AYTZLHKIYOBEFM-NRFANRHFSA-N 437.883 4.663 30 10 IJEE C=CC[C@H](NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1CCC)C(=O)OCC 1633797946 VDQVJBFHSKOXMH-AWEZNQCLSA-N 425.312 4.839 30 10 IJEE C=CC[C@@]1(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1636250801 SPPXFWGTXGYYKV-CVDCTZTESA-N 434.964 4.586 30 10 IJEE C=CCn1cc(CNc2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)nn1 1640057562 YJEGVYUNQWLPRH-UHFFFAOYSA-N 430.203 4.545 30 10 IJEE N#Cc1cc(Cl)c(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)c(Cl)c1 1640324020 BTQIESRQKQAZQC-UHFFFAOYSA-N 432.694 4.981 30 10 IJEE N#Cc1ccccc1-c1ccc(CN2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1658092145 HOKDJZLCSYTQCR-HSZRJFAPSA-N 435.449 4.917 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CO)c1cccc(Cl)c1Cl 1659506481 HMDOQIAHRSQJAI-DYVFJYSZSA-N 438.380 4.507 30 10 IJEE C=CCn1cc(CNC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)nn1 1660340968 WTSRCWKPUYZRAD-UHFFFAOYSA-N 434.887 4.780 30 10 IJEE C=CCC[C@H](NS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1)c1ccccc1 1662358817 LCJYUZORGMQBDV-SFTDATJTSA-N 434.399 4.933 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1OC 1665345376 IAGQNMJSUYVVLK-SBUREZEXSA-N 436.980 4.793 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1)c1ccc(Br)cc1 1668114109 SOHBQYKJKRHCSG-IBGZPJMESA-N 441.304 4.887 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1 1669140504 LFUZTQGCSNSHRM-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 1669296683 GKIQWHATXIIMCJ-LJQANCHMSA-N 426.476 4.586 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 1675014344 KEWFOLKDVRBOMY-UHFFFAOYSA-N 447.551 4.919 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc(OC)c1OC 1677294968 QVVMYMBHJTYEIS-LJQANCHMSA-N 426.410 4.674 30 10 IJEE C#CCN(C(=O)Nc1ccc2cc(OC)ccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1677440590 XGRONWHVRASPBR-UHFFFAOYSA-N 437.540 4.715 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1677816110 DJQPQRJZKHSMJC-LJQANCHMSA-N 438.531 4.915 30 10 IJEE C=C[C@H]1CCCCN1C(=O)Nc1cccc(Br)c1I 1678775296 XVFJRJMTJGZTPF-JTQLQIEISA-N 435.103 4.626 30 10 IJEE C=CC[C@H](NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 1679334447 LKAUAXSJGVATJQ-VXKWHMMOSA-N 442.604 4.768 30 10 IJEE C#C[C@@H](NC(=O)NCc1cnc(-c2ccccc2)s1)c1ccc(Br)cc1 1679680408 JHWOOVNURFVSKA-GOSISDBHSA-N 426.339 4.746 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 1679822385 FCKLLUWDQIOZAE-UHFFFAOYSA-N 431.842 4.556 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccccc1 1680580122 GLTQQRWYKMWHCB-LJQANCHMSA-N 437.506 4.813 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(Cl)cc1 1683675897 HOVUWXOLJQSSOR-CTNGQTDRSA-N 425.319 4.889 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 1684019647 RIXIUQJGUCYYBM-KRWDZBQOSA-N 440.396 4.658 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1689933771 YNIFXYPUSCNLJQ-DEOSSOPVSA-N 433.644 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1690246239 SVNAIWLMWOCQGT-SMIHKQSGSA-N 438.616 4.785 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CCC1 1690343934 HRVKMKJNYXJRSQ-GOSISDBHSA-N 438.016 4.772 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[C@H](OC)C(F)(F)F)CC1 1690369734 VLQDBBVYJQEWGB-IBGZPJMESA-N 431.462 4.617 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC(S(=O)(=O)CC)CC1)c1ccccc1 1690442182 NYNOSSQMZIBNEU-CTNGQTDRSA-N 444.645 4.555 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCCOC(F)F)C1CC1 1690539585 DYNGHBYZYYBJAW-UHFFFAOYSA-N 433.322 4.553 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)cn2C)n1C1CC1 1690553994 OZWMZMCLSXJBKW-UHFFFAOYSA-N 442.361 4.582 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1690655533 ZNENTBLEWJWXOB-IFMALSPDSA-N 440.563 4.621 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690735932 NCJFIPUQHUBQFQ-FCHUYYIVSA-N 440.657 4.871 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(F)(F)F)cc1 1693161160 CNNUJFJPUQENTE-GOSISDBHSA-N 427.471 4.663 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1)OC 1694277344 FKEWWNUUAVQWOS-XZOQPEGZSA-N 439.604 4.519 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1CC(C)(C)C1 1705481521 IHMDXBUTLOSXER-AWEZNQCLSA-N 431.378 4.610 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](c1cccnc1)C(C)C 1705548009 XCPDIYDYXHVMBV-JOCHJYFZSA-N 447.583 4.645 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N(C)Cc1ccc(Br)o1 1705657981 YBDRPFWKOLOUEJ-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1Cc1occc1C 1705670765 IWPPHYQCUKNQMS-JOCHJYFZSA-N 439.357 4.958 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cnc(C)s1 1705697745 NHCQKDXISJBOID-FXAWDEMLSA-N 444.004 4.981 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[C@@H](F)C2)CC1 1705772800 ZZUGNHUZWNUZML-OTWHNJEPSA-N 433.572 4.645 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1705810776 HQUQUVAIFUITTG-KRWDZBQOSA-N 428.556 4.687 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705822513 HREXCECKIUHRRV-SJLPKXTDSA-N 449.393 4.590 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1705849779 VYXANYLQBRRWSS-AQNXPRMDSA-N 441.595 4.832 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1ccccc1Cl)C1CC1 1705851101 UTSLLHMTOZQUKE-JOCHJYFZSA-N 444.366 4.709 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc([C@H](C)O)cc1 1705866271 LSFGGPWCYVZIHG-GHTZIAJQSA-N 438.597 4.528 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1Cc1ccccc1-n1nc(C)cc1C 1705880106 VQIBONRTPINIAQ-UHFFFAOYSA-N 430.556 4.519 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(Cl)c1C 1705886030 MRLXYZFXFZWEJI-TZIWHRDSSA-N 447.023 4.846 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705948290 NYYUTXBVOAOOGD-UHFFFAOYSA-N 431.694 4.631 30 10 IJEE COCCC1(Cn2c(-c3cccn3C)nnc2N(C)Cc2cccc(C#N)c2)CCCCC1 1712335462 FXTAUKFAKCLPAX-UHFFFAOYSA-N 446.599 4.779 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1ccccc1 1722379627 KFTDRBGAFITHDX-INIZCTEOSA-N 439.382 4.646 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(C)OCCc2sccc21 1722406856 XGZSZPPRWXNYBQ-JOCHJYFZSA-N 426.973 4.608 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722432974 VZSZKSMIKOVGNW-REWPJTCUSA-N 447.583 4.901 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC(F)F)cc2)CC1 1722578166 AXCFXZVILDCJLM-UHFFFAOYSA-N 425.483 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(OCCOC)CC1 1722587272 JBTXFAFKTZKANL-UHFFFAOYSA-N 449.599 4.727 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1722591505 NQVVJPJDYUFPSK-VXKWHMMOSA-N 426.605 4.990 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722605768 RKXIDQFEOSKJAL-UHFFFAOYSA-N 441.664 4.986 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1oc(CC)nc1C)C1CC1 1722647567 WDHAQPYNMWUEQC-MRXNPFEDSA-N 425.508 4.619 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CC1(C)CCOCC1 1722660511 XHWWZVDMWXSPOC-OAQYLSRUSA-N 428.552 4.668 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cnn(CC)c1 1722666777 XWTNYBRGNVRGMI-UHFFFAOYSA-N 441.583 4.796 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1F 1723025656 GNAUJPHCMIGHRA-TZIWHRDSSA-N 425.552 4.514 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)c1nccs1 1740600699 QLHTZZVUIABLNW-HNNXBMFYSA-N 434.594 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)CC1CC1 1740753458 KGGVXVHTEBPTDS-QFBILLFUSA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](OC)C(C)(C)C 1740768581 MMDPQGYTVFXMBZ-KRWDZBQOSA-N 438.414 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C2CC2)cs1 1740777113 MVWYNMONXRJDMY-UHFFFAOYSA-N 434.569 4.513 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1740783210 XLJDWQNOEQJKEU-AZUAARDMSA-N 444.023 4.620 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCCCCC2)C1 1740806636 BWAWZCXXMKUVCN-UHFFFAOYSA-N 446.979 4.644 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@H]1C 1740866527 GWGWGEPFLBFJRQ-MSOLQXFVSA-N 435.638 4.648 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cc(Br)cs1 1740901158 INBHKOXNHSOLDE-UHFFFAOYSA-N 439.329 4.642 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)c1nccs1 1740936239 MGJJUIYSJWEBGP-GOSISDBHSA-N 444.564 4.905 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ncccc1C 1740939197 SHDOCBFAVHVUDK-QGZVFWFLSA-N 437.613 4.522 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1740944910 QRZRYLOXDRBLKS-FPOVZHCZSA-N 437.632 4.950 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2(F)CCC2)C1 1740973507 YNTNDYILCPXTSC-ZWKOTPCHSA-N 432.515 4.621 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1748649605 QILBOMMGTIXSCC-XIRDDKMYSA-N 436.478 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(SC)CCOCC1 1748654852 MHEXLPGCSVQKIK-AWEZNQCLSA-N 439.412 4.622 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](c2cccnc2)C(C)C)c1 1748921779 CKPQOUMMTQTJOQ-JYFHCDHNSA-N 444.583 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](CCOC)C1 1749118123 CSHNHTJLKODUOX-RBVMOCNTSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CC)C[C@@H]1CCCO1 1749120540 FSMPJHHAYDARSG-JBACZVJFSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(CCOC)CC(C)C 1749127910 PUVKJFDCODAQPR-AUSIDOKSSA-N 437.588 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)s1 1749129247 BUEGEWKDBHAXOF-GJYPPUQNSA-N 437.009 4.505 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1749311169 HFPBFPOZKLAHGN-HSZRJFAPSA-N 435.547 4.987 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2nnc(C(C)(C)C)s2)CC1 1749334425 CLXMXEHVZDFRPX-UHFFFAOYSA-N 438.601 4.553 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749406418 HYENINSHZGCLHM-AOJNWGRGSA-N 438.616 4.582 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOC(F)F 1749473225 AYKSXZDNAPLLSJ-UHFFFAOYSA-N 435.700 4.613 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1CC(F)(F)Br 1749529454 DDYZHRQRCKPSSZ-UHFFFAOYSA-N 441.320 4.735 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCCC1 1749532707 WMSLUNBREZRBMS-UHFFFAOYSA-N 434.632 4.805 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1Cc1cccnc1OCC(F)(F)F 1749566225 YHFDTYJLIIBHSB-UHFFFAOYSA-N 443.473 4.816 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCCN1CCC(C)CC1 1760097281 CJDMHTVUXXHDOQ-LEWJYISDSA-N 441.595 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCc1cccc(C)n1 1760121268 ALNNNUYZMNOPKR-OAQYLSRUSA-N 445.611 4.949 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC(C)(C)C1 1760147360 OPCDFDUWHIDAPW-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)Cc1cccs1 1760223223 PGSJFNQAAAHLJI-NRFANRHFSA-N 432.593 4.569 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1760277295 GLBVJNYZRLZTHB-KDOFPFPSSA-N 449.393 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1760295278 BMBRTEGKMJIFNU-ZFJSRUIDSA-N 425.646 4.613 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C(C)C)C1 1760301637 GDRJXTPFGCZKIA-KRWDZBQOSA-N 441.377 4.726 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1760344825 KOZFJRDCQVTBGP-RBUKOAKNSA-N 434.588 4.524 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCCN2CCCC)CC1 1760390891 NZJFUSUOTIGOQS-HSZRJFAPSA-N 425.596 4.819 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760442694 GMJAEOAUFDKFOI-DENIHFKCSA-N 438.597 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1760484228 RDKDXMPXFNCBKS-UHFFFAOYSA-N 437.613 4.580 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CCOc1ccc(Cl)cn1 1760484600 FBUNWOOHNHZSGZ-UHFFFAOYSA-N 427.911 4.615 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760566245 PEXNBMDTXSWNSW-XLIONFOSSA-N 428.602 4.582 30 10 IJEE CC(C)C(C)(C)Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1760862523 GEQMKLJOJYNVMW-UHFFFAOYSA-N 436.648 4.842 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1[C@@H]1C[C@H]1C(C)C 1761872107 FMSVNRQKIBWZPB-DJPFJPOOSA-N 426.996 4.860 30 10 IJEE O=C(/C=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 1772728211 WDTFANBEFOVMPJ-FLIBITNWSA-N 428.404 4.726 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nnc(C)s1 1772740165 YZBWZJDDAVHSIU-YRXZHPSBSA-N 441.494 4.639 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)/C=C/c2ccccc2OCCC)cc1 1858873626 FSJYBKXKFHMPHD-DTQAZKPQSA-N 434.536 4.978 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1862099883 ZQSPXJCMTKRHPI-SANMLTNESA-N 430.552 4.637 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429350 LEMMMGGJYQBPFW-JOCHJYFZSA-N 433.891 4.997 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1OC 1862450577 LCFBMFJCFOBARR-HXUWFJFHSA-N 429.900 4.592 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862491516 VQBCSTLRCPTSPH-HSZRJFAPSA-N 432.520 4.788 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)c1 1862556384 VNWOELDMBVCZJI-NRFANRHFSA-N 436.870 4.840 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862596121 GJNKNQISWCSXAQ-JOCHJYFZSA-N 447.487 4.559 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862992315 RCFWFHCJOSQSPA-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866724792 PNPBPDLZKLGUKX-DNQXCXABSA-N 449.620 4.935 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc3cc(Cl)ccc3n2)cc1 1870111527 RLFTWGCASWLSHP-UHFFFAOYSA-N 430.899 4.775 30 10 IJEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(OC)cc1C 1871266614 HAJHFJGKCJTCHM-UHFFFAOYSA-N 430.589 4.899 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(CCCCN1CCCC1)CO2 1871354962 KKKJBEGSYZMJKC-HAHDFKILSA-N 436.527 4.778 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1ccccc1C(=O)O 1871431516 UTHTXNCPXIUNPW-YEJNLHJGSA-N 441.439 4.575 30 10 IJEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625761 WIXGTNXEHUWIQQ-UHFFFAOYSA-N 438.624 4.734 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872361379 NGBXMKCHTOXAPL-SFHVURJKSA-N 434.524 4.821 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872403960 ZFTQUMILTVZBRF-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872464312 NSRZNPFKTWYIOH-AWEZNQCLSA-N 441.380 4.760 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872467946 QWEQXQRHMZDBHM-HSZRJFAPSA-N 428.598 4.788 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330669 OBFSTDYSDULRKY-UHFFFAOYSA-N 425.872 4.551 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccccc2C(=O)OC)c2cnn(-c3ccccc3)c2n1 1873481913 XFVIUGQIOYCKAH-UHFFFAOYSA-N 440.507 4.524 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC[C@@H](C)C3)ncnc2n1Cc1ccccc1 1873554874 BDJJQAHDYWORQC-HXUWFJFHSA-N 429.568 4.530 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)/C=C/c1cccc(Cl)c1 1873675891 UYXVIVHPQJCQEU-ZHACJKMWSA-N 435.936 4.519 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874231154 VKKPQDQMSPKTIH-WSDLNYQXSA-N 443.916 4.887 30 10 IJEE CCc1ccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SCCCO)cc1 1874231335 FAIBGGKLSJYVLR-ZVHZXABRSA-N 444.988 4.738 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874249676 HCUMDPCIYVRTIX-XQNSMLJCSA-N 439.541 4.891 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCC)cc1OC 1874263269 PEQWODFDJCOBDB-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE CCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874527864 IGYBTKMHIVUJBD-PMFZIYJTSA-N 449.624 4.990 30 10 IJEE Sc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1874558565 LDPPOCRVUBZUIC-SRZZPIQSSA-N 429.343 4.668 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)NC1CCCCC1 1874581041 TUDJJJAEHBKOSJ-BUHFOSPRSA-N 437.536 4.736 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1F 1874597232 ASRJZWMOTOOUBV-PKNBQFBNSA-N 430.435 4.958 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NCc1ccccc1 1874620343 VCKJJMPFRKATKB-XYOKQWHBSA-N 433.479 4.734 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCO1 1874663517 OSKKYSISFCBMEQ-BJKOFHAPSA-N 441.616 4.631 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875159591 HDAMNLMJXQDHHO-ONNFQVAWSA-N 436.351 4.757 30 10 IJEE CN(c1ccnc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 1890867161 WUYVIMHQFQIOPS-UHFFFAOYSA-N 449.370 4.999 30 10 IJEE Cc1cc(C#N)cc(C[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951966127 YSKNVVYBCXXVED-HHHXNRCGSA-N 440.499 4.791 30 10 IJEE CC(C)(S)[C@H](CC(F)(F)C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952681312 WABHPXXLZJQYHD-SFHVURJKSA-N 435.492 4.712 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)C12C[C@H]3C[C@@H](CC(NC(=O)OC(C)(C)C)(C3)C1)C2 2013343126 SUFIATJQAWWGBR-PHGFOVGGSA-N 427.585 4.984 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2016843144 UFZBOQSVJGPZDI-XFQAVAEZSA-N 434.541 4.606 30 10 IJEE C#CC[C@H](C[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC)C1CC1 2020083862 XDQVWJXFKLQBCN-WXFUMESZSA-N 428.617 4.904 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Cl)c(Br)c1F 2035952583 BLIWXVLRNJUKQI-BBRMVZONSA-N 433.749 4.809 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)c(F)c1 2079069512 QQKKANJXRFMISG-AAWXNRKFSA-N 441.288 4.866 30 10 IJEE C#CCN(C[C@@H](NCCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2116827345 BWQPVAZOSLPHBK-QGZVFWFLSA-N 427.358 4.808 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c1F 2132677319 PQPQNQDADPYRPI-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 2133599683 MDYVTOJZCOWSRN-QAQDUYKDSA-N 429.399 4.631 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OC)c1Br 2142370456 XCSYTJHKADNBCO-MAUKXSAKSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(Br)ccc1C#N 2181138901 HCMKDOGHIVIJLJ-CJNGLKHVSA-N 436.350 4.733 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)cc(F)cc2Br)C1 2225592689 HMYKNZCKFKGCKR-INIZCTEOSA-N 431.321 4.991 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1OC 2231186613 OBCKTADXCRMYBV-AEFFLSMTSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](N)(C#Cc2ccccc2Br)C[C@@H]1C1CCC1 2235716999 AHZSHQRRDZRLFP-DENIHFKCSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@H](CC)CCN1C(=O)OC(C)(C)C 2235730735 OZOICLFRDKKHLO-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE COc1cccc(C#C[C@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1 2237742484 UQHYIEMLDPNAIN-SFHVURJKSA-N 431.330 4.856 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 2241829793 FQNOAYHEWWOTFW-HROJSSOGSA-N 427.545 4.573 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2249580562 XOXHCPYVXBXHPD-MICWEPACSA-N 431.508 4.716 30 10 IJEE Cc1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc(C)c1C#N 2254645435 MRVDYJQCWHENQO-PGRDOPGGSA-N 437.540 4.612 30 10 IJEE C=CC[C@@]1(COc2cc(Br)c(F)cc2N)CCCN1C(=O)OC(C)(C)C 2272242838 NUTCBBCLNCUYRH-IBGZPJMESA-N 429.330 4.895 30 10 IJEE COc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(OC)c1OC 2294137426 BZNDRAQWDSCDCL-UHFFFAOYSA-N 439.320 4.911 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2296221625 KGROVGBRMCHALX-JXFKEZNVSA-N 435.406 4.672 30 10 IJEE C=CCCC1([C@H](C#Cc2cccc(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2296228707 BLLQMHJATNULFO-IBGZPJMESA-N 433.390 4.592 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C12CCC(CC1)N(C(=O)OC(C)(C)C)C2 2296271621 GPNWYDDYEXLUSR-GSVIPDFHSA-N 433.390 4.568 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@H](N)C#Cc2ccc(Br)cc2)CC1 2296288913 LWDUCPMJTHIKNT-COFLGROHSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2296632491 YCUCWFQXDLNNKL-UHFFFAOYSA-N 431.282 4.786 30 10 IJEE CCCOc1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297059806 KPMMIGRMHRKJBV-NRFANRHFSA-N 434.517 4.554 30 10 IJEE SC[C@@H](COCc1cc(I)ccc1Br)C1CC1 2302772811 RZMZJFGKUGFBHV-LLVKDONJSA-N 427.145 4.526 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=NN=Cc2ccccc2)N1Cc1ccco1 2314818504 HDTNWDSDIPFFPN-UHFFFAOYSA-N 432.461 4.694 30 10 IJEE CC[C@](N)(C#N)CCCSc1cc(I)ccc1Br 2316472522 MRMRORQCWRSSQN-CYBMUJFWSA-N 439.160 4.557 30 10 IJEE C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN1C(=O)OC(C)(C)C 2317346384 HULWPMGTYOUDSY-AFRBYUIBSA-N 430.354 4.503 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)C1(NC(=O)OC(C)(C)C)CCCCC1 2318920775 LBNIVTRLQAXMPM-QFIPXVFZSA-N 447.572 4.847 30 10 IJEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccnc1)C3 2321973024 CQRIKFNWGVMSLK-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(C2CCC4(CC2)OCCO4)CO3)C1=O 2322214707 WLIUWVBPSLXNNX-UHFFFAOYSA-N 439.533 4.510 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2C)C1=O 2323144308 CZFOBJZTHVMOEI-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OCCCO 2323597736 PUMPIACWBRPLGI-UHFFFAOYSA-N 431.326 4.844 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])o1 2324186303 XKRMUWTYWTWJHK-UHFFFAOYSA-N 425.368 4.589 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)cc1 2325301879 LGYLPTVUWJXFMA-MRXNPFEDSA-N 440.455 4.589 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2325551119 PZWFCAXNWRALLS-UHFFFAOYSA-N 444.532 4.570 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2325727641 NJWAIHDFXSOIDO-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cccc(Cl)c1 2326765441 LBRURJZJABCHBX-UHFFFAOYSA-N 428.945 4.845 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C(=O)OC)cc2)cc1Cl 2326783649 FFUKGVUILQCVKD-UHFFFAOYSA-N 444.944 4.600 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329322854 RPKMJLLLMIIZOB-UHFFFAOYSA-N 440.569 4.785 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)cc1 2331123536 LRGUALSWOLZMCG-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE C[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1C(=O)OC(C)(C)C 2339535507 MPDVEPDVHGMMGC-MSOLQXFVSA-N 443.397 4.560 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339600813 UREVINGMPSXDEM-KICKTSRDSA-N 444.381 4.751 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)c2cc(C)cc(Br)c2OC)C1 2339679269 KXJWMEVFLDVYCW-KRWDZBQOSA-N 426.351 4.661 30 10 IJEE Cc1cc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)ccc1B1OC(C)(C)C(C)(C)O1 2343583869 GVMFMZDNAASRJK-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE C=C1CCC(C[C@H](NC)[C@@H](O)c2sc(Cl)cc2I)CC1 2366654264 LQOCGNDEJMVAGP-GXTWGEPZSA-N 425.763 4.764 30 10 IJEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(OC)c(OC)cc3OC)c12 5090951 WYVBNZMFVRRBKF-QXMHVHEDSA-N 431.492 4.705 30 10 IJEE CCOC(=O)[C@H]1CCCN(CN2C(=O)/C(=N/c3ccc4ccccc4c3)c3ccccc32)C1 16682704 DGRCNJRWVIWWFB-JLGRXMNQSA-N 441.531 4.540 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)nc1C 32535002 CDDCBLHPMVHOIH-UHFFFAOYSA-N 441.578 4.999 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 103211609 ZTVDYUQDNFXOLO-QGOAFFKASA-N 440.477 4.537 30 10 IJEE COc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1OCc1ccc(Cl)cc1 169936669 ZTZPZVHUMAKAJE-NRFANRHFSA-N 430.957 4.652 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(O)cc2)cc1 169965305 FBQHFSOIORZZAV-QFIPXVFZSA-N 439.471 4.614 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(C)c2)c1 169966308 RGRUYJNRQSYODB-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 170130070 QKIVMOIZRIGUKE-UPCLLVRISA-N 446.547 4.597 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccn2)c1 170167585 UEHIXYQIACHEIW-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OCC)c(OC)c1 170216452 MJPHCIRSBRCGGA-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)c1 170230626 BIMFYTCOOYSOQX-HSZRJFAPSA-N 428.488 4.647 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(O)c1 170258683 AWJRMABRMUPRCK-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(O)c1 170259948 GALMTIDZVWSVCK-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccco3)oc12 170282462 BNTWNEYYGPNOKP-HXUWFJFHSA-N 433.391 4.956 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C)o2)cc1C(C)C 170298661 RVYDACGIXCSLBS-QFIPXVFZSA-N 441.524 4.723 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)cc1OC 170416138 SLADRIRELAAYGD-NRFANRHFSA-N 435.501 4.544 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccc(OC(C)C)cc3)nc2c1 170474569 SFWYPOWAQARBNC-OAQYLSRUSA-N 433.508 4.784 30 10 IJEE CCN1/C(=C2\SC(=Nc3ncn[nH]3)N(c3cccc(C)c3)C2=O)Sc2ccccc21 254578151 OKVHBUQVYJLGOS-HHUDGCFVSA-N 434.550 4.682 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1CCC 407030146 TYLOKRIHINWTMA-IAGOWNOFSA-N 443.430 4.956 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)C1CCN(c2cnccn2)CC1)c1ccc(C(F)(F)F)cc1 434290199 XNUABKHSYRRODL-HXUWFJFHSA-N 447.505 4.813 30 10 IJEE CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(C(F)(F)F)c1 443308304 FEYLPMJBVNOQPE-NFOMZHRRSA-N 441.519 4.981 30 10 IJEE CN1CCC[C@@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccs1 478395435 SPQTXKDDKCSPMT-FXAWDEMLSA-N 435.515 4.501 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(Br)c1 480123799 WIHOBNKISNNENA-MRXNPFEDSA-N 442.361 4.557 30 10 IJEE CSc1nc(O)c(C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)cc1C#N 480387809 GHMQUQSZIULKTM-UHFFFAOYSA-N 436.364 4.782 30 10 IJEE C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1ccccc1OC 501238489 IKTQINDLYCHMCC-UHFFFAOYSA-N 445.504 4.827 30 10 IJEE COc1ccc(OC)c([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489060 OVJUDXTYCRGWSA-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(Cn2cc(C)cn2)CC1 549692816 KCXGHKUHOYEIRK-UHFFFAOYSA-N 440.979 4.605 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc(F)c1 586259226 SILQIFKQSAQKIQ-UHFFFAOYSA-N 430.888 4.755 30 10 IJEE C=CCC1([C@H](O)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 722927734 OLNAOLBHVRGTMW-OAHLLOKOSA-N 430.770 4.819 30 10 IJEE COc1cc(NC(=O)CSCc2cc(Cl)ccc2OCC#N)c(OC)cc1Cl 735320303 QERYHFDILXUXBG-UHFFFAOYSA-N 441.336 4.785 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1C#N 752302359 GWPBQQMRXNWCDB-UHFFFAOYSA-N 441.538 4.942 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=S 765035887 CTTGFJOUVPORGR-SIKLNZKXSA-N 435.597 4.698 30 10 IJEE Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCC3CCC(C#N)CC3)[C@@H]2c2cccs2)cc1 799385955 LMHNOGZSVBVTEH-WUOONPMLSA-N 435.593 4.987 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)OC/C=C\c2ccccc2)n[nH]1 1084343118 NGQZLCRJBCHFEE-PZQZOYMSSA-N 433.537 4.655 30 10 IJEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccc(C(F)(F)F)c2)N2CCCCC2)c1 1088664878 KZAOIHQVXUCBJZ-UHFFFAOYSA-N 435.446 4.652 30 10 IJEE C=CCN(C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124608888 SEXTZCYBUSGPIT-KXTWHKPSSA-N 444.622 4.949 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CCCc3ccccc32)c(C(=O)OCC)c1C 1124756631 KEXHKMLVKBEQON-QGZVFWFLSA-N 427.522 4.635 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccc(C)cn2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1128003699 WVJFEACKCOQTJB-XMMPIXPASA-N 444.531 4.985 30 10 IJEE C#C[C@@H](NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(C)(C)C 1129738864 MZYXUDYSEBECPN-GOSISDBHSA-N 427.570 4.859 30 10 IJEE N#Cc1cccc(NC(=O)Cc2ccc(Br)c(Cl)c2)c1Br 1129872997 DXEPZTSBVYPXGH-UHFFFAOYSA-N 428.511 4.918 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Sc1ccc(S(=O)(=O)CC)cc1 1131309724 WCRMGSNFXOMLLO-HDICACEKSA-N 427.591 4.955 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 1147119756 SIZTWFBPJLMVPK-FXAWDEMLSA-N 446.979 4.702 30 10 IJEE C#CCCOc1ccc(CN[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)cc1 1178805503 LVHGJVCHDXHDSZ-SHQCIBLASA-N 431.507 4.769 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCCc1cccc(OC(F)(F)F)c1 1188465660 HYFFNFYIJPAFSK-UHFFFAOYSA-N 440.535 4.726 30 10 IJEE C=C(C)[C@@H](NC[C@H](O)COc1cc(F)cc(Br)c1)c1ccc(F)c(F)c1 1193574998 KTNSQZIHZQAEDS-HNAYVOBHSA-N 430.264 4.513 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC 1200243571 KBXBFRUGGLNVNB-XLIONFOSSA-N 445.401 4.948 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nc(-c3cccc(Cl)c3)ns2)cc(OC)c1OC 1203182945 JGHBQNFCKPUXSA-UHFFFAOYSA-N 444.944 4.926 30 10 IJEE CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1cc(Br)ccc1C#N 1211712872 BMFDPBOMPQZCER-UHFFFAOYSA-N 449.109 4.598 30 10 IJEE COCCn1cc(CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)cn1 1219156775 DIUNQXUVWHKQFT-UHFFFAOYSA-N 441.944 4.527 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(OC(C)(C)C)cc1)c1ccc(Br)cc1 1224611681 ZPNJMRZTNWAFAO-HXUWFJFHSA-N 429.358 4.843 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(Cl)ccc1Oc1ccc(C)c(C)c1)C1CCOCC1 1253355211 TUQKEOWIGXXSKR-QFIPXVFZSA-N 426.944 4.977 30 10 IJEE CN(C(=O)CSc1ccccc1C(=O)OCc1ccc(CC#N)cc1)C1CCCCC1 1266639385 ASBFGIPYVNWTCN-UHFFFAOYSA-N 436.577 4.993 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 1275389183 GMYFCMHSCWFPCM-HOTGVXAUSA-N 445.357 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCc1nc(C)cs1 1286282808 QJBDWKPIGARRSL-SFHVURJKSA-N 430.581 4.739 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(CCOCC)CCC1 1286405765 KKWMBVGNWUHMFG-UHFFFAOYSA-N 432.612 4.912 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1286500975 IUASVQRTZKNCGW-ILZDJORESA-N 445.032 4.988 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1286503273 CVYFKFPRRCRWPB-FQEVSTJZSA-N 448.640 4.902 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1286640304 IGUNGZZUXFMZLR-UQBPGWFLSA-N 442.604 4.694 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1286663681 GVMFSHMEWRZGJV-DHLKQENFSA-N 436.600 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(CC(C)C)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1286676128 HWQXLIBNSPQILH-UHFFFAOYSA-N 449.643 4.655 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 1286681427 WCVSWOGOJBQOAH-UHFFFAOYSA-N 434.588 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1Cc1cc(Cl)c2c(c1)OCCO2 1286759182 LIIFXIYXRFPGNI-UHFFFAOYSA-N 428.964 4.662 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1286822169 BSJKSIBEJIIIEZ-IEBWSBKVSA-N 430.593 4.949 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286970624 CTMXNJWTXKDGGE-HLLBOEOZSA-N 439.457 4.886 30 10 IJEE C#Cc1ccc(NC(=O)[C@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c(Cl)c1 1289440266 PTJDYMOOCZJXGB-LBPRGKRZSA-N 431.970 4.909 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)N2CCCCC2)cc1 1289860564 CNYZDZNFLXJDLY-FQEVSTJZSA-N 440.661 4.739 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1300372261 OHXPNBRKRAJJCA-JOCHJYFZSA-N 438.616 4.819 30 10 IJEE C=CC1(CC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CN(C(=O)OC(C)(C)C)C1 1300445188 IONDLEWTBODADZ-UHFFFAOYSA-N 425.356 4.691 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1ccc(Cl)s1 1300520767 OZBXLIVJNGZNSJ-UHFFFAOYSA-N 445.375 4.638 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1OCC 1300611499 FXDCOSMCWHKWTR-UHFFFAOYSA-N 445.386 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(C)C)C1 1300870265 RSQKVOGXPWKBCH-SBFWRKJZSA-N 438.616 4.662 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C2CC2)N(C)C)CC1 1301114541 UCPUIJRCSTYUON-HXUWFJFHSA-N 434.415 4.995 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC)[C@@H](C)C1)c1ccccc1 1301166296 TYIHKNQELLEDQA-NZQKXSOJSA-N 435.641 4.821 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301176117 PZHWAQOBSMAVGI-YZGWKJHDSA-N 445.405 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1Cc1ccc(C)s1 1301341637 UVHKOLOGYDFXFE-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1301372263 VUDVIOVHCTUVPR-YPAWHYETSA-N 429.653 4.701 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCSC(CC)(CC)C1 1301530382 ZIOBTTRZNDQBPK-UHFFFAOYSA-N 437.613 4.998 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2C)C1 1301614939 AVVADYBSNCVWAM-IBGZPJMESA-N 439.654 4.855 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl 1303335521 WXLIJUOCDNQMJK-UHFFFAOYSA-N 435.417 4.650 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)c1ccccc1 1304738087 RNYXCNOZMIEECX-PMERELPUSA-N 440.594 4.524 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1306849592 WYCIQLHMCNWXOJ-WOJBJXKFSA-N 435.326 4.768 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccccc2)C[C@H]2CCCO2)n(C2CCCC2)c1C 1307430522 DPNPFQBXRKIESA-HSZRJFAPSA-N 434.584 4.711 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)OC(C)(C)C)C2 1310624138 JFTDDYLGSHRPHT-HXUWFJFHSA-N 443.588 4.733 30 10 IJEE C#C[C@@H](NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1312936336 HFOVYUYHBUFPLS-QZTJIDSGSA-N 429.706 4.883 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc1 1350626066 OMQVBSKWHFPQFP-PFONDFGASA-N 438.471 4.554 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(N(C)C)c1 1358877691 JEMPVTJBZCHHNA-QZTJIDSGSA-N 433.625 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C\c1ccccc1 1358887747 BLAWEOWLDWQIGE-IKBOOBNYSA-N 449.599 4.564 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1358907150 FDMIEDSAJPHPKV-LJQANCHMSA-N 426.008 4.713 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(COC)CCCCC1 1359003141 ZSQFSHQKPRFYBO-UHFFFAOYSA-N 432.515 4.603 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1359052362 CBYGWWBXZSKPPA-LJQANCHMSA-N 438.622 4.593 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](CCC)C1 1359092793 GJDCQPRHCOZYRN-NRSPTQNISA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1359104034 XDEVMBMZAFLHMT-REHUZNOOSA-N 440.563 4.770 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)C[C@H]1CC 1359104247 ZLQOCQAVRZUDQP-DYZUWXGSSA-N 438.616 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCN1CC 1359109116 PUESDSXKCXKQQL-HXUWFJFHSA-N 446.437 4.984 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359211016 PQTOYOWEFTXMSQ-FNZWTVRRSA-N 438.616 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1359235824 OPCYVFSUBKIIGD-DYESRHJHSA-N 442.604 4.814 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1359253057 QWUYSMAFXMPEFJ-NRFANRHFSA-N 437.632 4.831 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCCC1(C)C 1359275401 SUPPKIUCTSJDLA-AREMUKBSSA-N 431.584 4.516 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1359339181 VRPXPBKWHOJSEL-UHFFFAOYSA-N 437.400 4.541 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)Nc3ncccc3OCC3CCCCC3)CC2)c(F)c1 1435035998 HDVSSZWNGUCRDF-UHFFFAOYSA-N 436.531 4.907 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 1435975456 JXOMQNSAGRALEY-UHFFFAOYSA-N 444.413 4.548 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C(F)(F)F)cc1 1436240749 WFBLFDQNTNEHRP-YVHKJVDXSA-N 431.454 4.738 30 10 IJEE C#CC[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 1438151048 DLIPLLLRWREIPM-DHUDHEQZSA-N 439.559 4.556 30 10 IJEE C#CC[C@@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccccc1 1446337322 MMJCFASMKJLXBW-FGZHOGPDSA-N 432.520 4.749 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(I)cc1OC)c1ccc(F)c(F)c1 1459187458 WLHKBOLCYNJAPV-KRWDZBQOSA-N 443.231 4.625 30 10 IJEE COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1460028432 DEUJNXPGJYVSIS-DVECYGJZSA-N 442.515 4.809 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C(=O)c2ccccc2Cl)CC1 1460916666 ILRBROYFQUFIIP-KRWDZBQOSA-N 431.001 4.900 30 10 IJEE Cc1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(C#N)cc1N(C)C 1466763383 DYYODSJQNMORGO-GOSISDBHSA-N 435.576 4.510 30 10 IJEE C[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1466806043 GQAGXAFHIBUUBQ-SKDRFNHKSA-N 430.839 4.681 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1467699069 CFCZBVXALYDKFJ-KVSKMBFKSA-N 427.898 4.808 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nc2sccc2c1=O 1472934571 GEXWAECNTNHUBH-CQSZACIVSA-N 440.468 4.669 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(CN2CCCCC2)cc1 1472961934 GDPQUOFFYMWCLD-UHFFFAOYSA-N 439.673 4.771 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1OC 1474193865 ZMYLBGRDRYCTNY-CZUORRHYSA-N 438.284 4.612 30 10 IJEE Cc1cc(Cl)c(Br)cc1S(=O)(=O)N[C@H](CCC#N)c1ccccc1 1475118139 DRYCKLOAMJBATG-MRXNPFEDSA-N 427.751 4.734 30 10 IJEE COc1ccc(Cn2ccc(NC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)n2)cc1 1476056480 DWFHHGLFKGLXRR-UHFFFAOYSA-N 440.463 4.643 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 1476150826 RUXHPHNZZHWLJJ-UHFFFAOYSA-N 436.515 4.932 30 10 IJEE N#Cc1ccc(NC(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)cc1F 1476707214 DPNNQFBNZYFNBY-XMMPIXPASA-N 443.526 4.791 30 10 IJEE Cc1cc(NC(=O)N(CCC#N)Cc2ccccn2)nn1-c1cccc(C(F)(F)F)c1 1476833898 BGMMOZOMMHTGIV-UHFFFAOYSA-N 428.418 4.542 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br 1476877793 KHIUQSPFMWGVSM-XPTSAGLGSA-N 441.219 4.590 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCOC[C@@H]3c3ccc(Br)cc3)cc21 1477134757 LCTDYVGIBUGGBB-HXUWFJFHSA-N 441.329 4.590 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)Cc4cccc(C#N)c4)n3C[C@@H](C)N(C)C)cc2C1 1493491782 FKWAPYNWPDFURO-ZWKOTPCHSA-N 448.640 4.590 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)=C(Br)C1 1507571886 PYNHRLRFIBNBSQ-IEBWSBKVSA-N 449.437 4.879 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]2CCC[C@@H]21 1507590877 HRGONGKDSMTBHQ-CTNGQTDRSA-N 441.620 4.575 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1507594924 VAWDITDMYGMXQE-UHFFFAOYSA-N 426.630 4.908 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)Cc1cccs1 1507619415 LKALZDMQCSEEIR-QGZVFWFLSA-N 426.611 4.589 30 10 IJEE C#CCSCCn1c(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)nnc1C(C)(C)C 1507758054 HDLKCKDQYAQRGL-KRWDZBQOSA-N 443.686 4.661 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1507833155 YYGOIASYVPLKEC-IBGZPJMESA-N 439.585 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1507879849 XJSGOMNKJUCENB-DFBJGRDBSA-N 442.604 4.696 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(C)CCCO2)CC1 1507899032 ZKVPLRBWVHBARO-NRFANRHFSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(Cl)c1 1507914124 FIWFPCWJCCEDFU-UHFFFAOYSA-N 441.963 4.898 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1507928619 IELVAVHOHZKVIV-JBACZVJFSA-N 425.552 4.670 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1507928839 MGJQDSBGLZWROE-TYPHKJRUSA-N 439.604 4.550 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CC[C@H]1CCCCO1 1508000802 ZUXRIJPBQKNDRJ-HSZRJFAPSA-N 447.608 4.954 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCC1CCN(CC)CC1 1508005223 VEXHRXDEKDVBQC-DEOSSOPVSA-N 437.632 4.834 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ncc(CC)s1 1508037055 IQSFBTFNYHYPFL-UHFFFAOYSA-N 448.596 4.508 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H]2CC[C@H](SCC)C2)cc1 1508100535 LMFXAZFTHANENX-CTNGQTDRSA-N 437.613 4.997 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN(C)C 1509542020 CKUCCTDZJXZOIG-UHFFFAOYSA-N 436.629 4.881 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C(F)(F)F)cc1 1521344403 STUVVIBNHUNZRR-AZUAARDMSA-N 433.401 4.506 30 10 IJEE C=CCc1cc(C(=O)Oc2c(Br)cc(C#N)cc2OCC)cc(OC)c1OC 1530050012 YCHRZYQVQAMUFV-UHFFFAOYSA-N 446.297 4.684 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)CCCN1C(=O)OC(C)(C)C 1531266686 MUKPVORNXUTDHF-OAQYLSRUSA-N 440.899 4.550 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(OCc2nc(C)no2)nc1)c1ccc(C(F)(F)F)cc1 1536399755 XQQHDVIICFUIRD-GOSISDBHSA-N 446.429 4.808 30 10 IJEE C#CCN(C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12)C(C)(C)C 1538269880 KDUNPLCAYNDKHG-UHFFFAOYSA-N 432.520 4.802 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1539051667 DFWGIEFSLHERLO-HXUWFJFHSA-N 447.583 4.628 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C1CCCCC1)N(C)C 1539154708 MOWIBQNIPLKPBD-WIYYLYMNSA-N 439.673 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Cl)s1 1539626066 AVFAOEVHHYCEQX-QFBILLFUSA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)N1CCCCCC1 1539650827 WFZWWVOZCUIUJJ-UHFFFAOYSA-N 449.643 4.943 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1539667566 JZVZPYVXDGZOFW-NRFANRHFSA-N 442.604 4.917 30 10 IJEE C=C(Cl)Cn1c(N2CCc3sccc3[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1539820773 QRMZLESHESNBOQ-LAUBAEHRSA-N 437.009 4.647 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1539920993 OFDZWHKTIHGDAC-LJQANCHMSA-N 443.586 4.814 30 10 IJEE C=CC1(CC(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCCC1 1540510673 DLHCLCACKYPFTG-UHFFFAOYSA-N 437.550 4.860 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1540922760 XMQUNXCKRRZGNW-IYBDPMFKSA-N 439.050 4.757 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 1543300314 ILLQNPALYVIPQZ-UHFFFAOYSA-N 432.333 4.565 30 10 IJEE C[C@H]1C[C@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)C1 1543550218 CJRGQCHLZLSAIS-KBPBESRZSA-N 446.502 4.823 30 10 IJEE C=CCC[C@H](NCc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(C(F)(F)F)cc1 1559687758 WJZKLNMRWRNZSS-KRWDZBQOSA-N 432.533 4.814 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 1559856538 AKKBVVKZKLUODP-QHCPKHFHSA-N 432.612 4.571 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1563430018 YWXDRDZQFCJTNO-GCJKJVERSA-N 445.966 4.639 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccc(F)cc1 1569486162 QXQBHIFYYMSYKG-LEWJYISDSA-N 440.515 4.671 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 1583418372 MHJSLPCMBVKWRU-FQEVSTJZSA-N 443.588 4.769 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1 1583429089 FSIPEROROKWUJL-FCHUYYIVSA-N 428.363 4.749 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(NCc4ccccc4)c(Cl)c3)cc2C1=O 1584843190 XQYXTTWIXBYZBM-UHFFFAOYSA-N 445.906 4.986 30 10 IJEE C=CC1(CC(=O)NCCc2ccc(-c3csc(C)n3)s2)CN(C(=O)OC(C)(C)C)C1 1587552360 QDODODYAENLJAN-UHFFFAOYSA-N 447.626 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)CCCS1 1589151048 QEGBMFYOKWRKQU-JJEOQYAHSA-N 428.577 4.835 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1CC 1589303968 BSGMAGAACAIOOE-HNNXBMFYSA-N 440.183 4.995 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCOc2ccc(Cl)cc2)nnc1C(C)(C)C 1589581937 WTRLTVCMHJXEIL-YLJYHZDGSA-N 432.996 4.725 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C)CC1 1593844413 BDGHGPJJFXOBBF-UHFFFAOYSA-N 425.758 4.705 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1OCCC1(C)C 1594560235 ZRDDPBPUDVHACN-VXKWHMMOSA-N 440.588 4.788 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCc1cccc(C)n1 1594929673 NQKFUXMQDXTALF-UHFFFAOYSA-N 426.362 4.666 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@H]1C(C)C 1595196309 PINGPRFMHVVOMH-XLIONFOSSA-N 445.405 4.947 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1595350618 KCXYNVYYHAOMHK-YADHBBJMSA-N 436.556 4.943 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCCS2)C1 1595744553 MPIWBOYDQQGPPA-FGZHOGPDSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1595854443 BRFGQFZUNAFQCU-YJBOKZPZSA-N 427.401 4.786 30 10 IJEE C=CC(C)(C)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1617200138 CSAXJXGOQJILHM-SFTDATJTSA-N 430.589 4.897 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)c(F)c1 1617346313 YOVWDSTYBHIAAX-HXUWFJFHSA-N 444.463 4.842 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(Cl)c1 1624443760 DYFOYHHDRPDSPT-QHCPKHFHSA-N 429.923 4.625 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 1625564999 WQTKTPRFKCLFNA-QGZVFWFLSA-N 435.883 4.987 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl 1630118823 JGYZPEPQIAZKGD-RVKKMQEKSA-N 427.397 4.555 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 1631146920 GGVRMQOGEVJLOL-FQEVSTJZSA-N 436.980 4.599 30 10 IJEE C=CCn1c(SCC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)nnc1-c1ccc(Cl)cc1 1631444020 CGFWCWIPHDIELV-KFKAGJAMSA-N 431.005 4.914 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2cccc(C(F)(F)F)c2nc1O 1634200053 PWDKMLYBLUQEEE-HKUYNNGSSA-N 425.410 4.871 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)[C@H](Sc3ccc(F)cc3F)c3ccccc3)C2)cc1 1638196231 BANIZFWGGFTXRL-HSZRJFAPSA-N 436.483 4.960 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(NCc2ccccc2)nc2ccccc12)C(=O)OCC 1638988422 NMPWDZZGQWRHMF-NRFANRHFSA-N 437.927 4.651 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C(C)(C)C)CC3)c2C#N)C1 1641564656 AITNWGKPYAQAFQ-QGZVFWFLSA-N 430.662 4.515 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)cnc2n1 1651235294 IEBCAFWPARSNCY-HNNXBMFYSA-N 449.349 4.580 30 10 IJEE C#CCOc1ccc(F)cc1NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 1655734712 SDTDSYCETCHPFB-KRWDZBQOSA-N 428.504 4.601 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)CCC)nc2sc3c(c2c1=O)CCCCC3 1655979881 ZIFZBDHECCRXOA-HUUCEWRRSA-N 433.643 4.698 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1669277522 WJNMWUXWMPOKBU-LJQANCHMSA-N 437.506 4.850 30 10 IJEE CC(C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)NCC1CCCC1 1669489358 DFQAXDVVJIMDFP-UHFFFAOYSA-N 438.503 4.696 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 1671851689 IFUMWOJDMOYLJW-JOCHJYFZSA-N 449.929 4.642 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](COC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1672827702 FMDRZAGVDIHWAJ-LPHOPBHVSA-N 435.749 4.506 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 1677041487 MESQAIPBRDJQSK-AWEZNQCLSA-N 425.451 4.607 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl 1677639192 OHPUOMMLAHJGCM-IBGZPJMESA-N 428.964 4.560 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 1678964409 FUCMPBJMMVAKNG-CYFREDJKSA-N 428.536 4.882 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1Cc1ccccc1Br 1679223334 RNTJDXVCUIWZBH-LJQANCHMSA-N 429.358 4.931 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C(F)(F)F)cc1 1679306245 WBWNYXJMRLQBJB-PMACEKPBSA-N 449.521 4.723 30 10 IJEE Cc1ccc([C@@H](Cn2ccnc2)NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(C)c1 1680876215 HTSPSLWBXRJKCZ-RUZDIDTESA-N 427.552 4.702 30 10 IJEE C=CCC[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1684018116 KBOJMYQVHCQQKB-LJQANCHMSA-N 437.418 4.999 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1689877356 XBCWJGNZMBTYDV-JKSUJKDBSA-N 433.419 4.841 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](CC)C1 1689880946 ABORXALRFYFHAU-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2oncc2C1 1689901315 ITLMULXAGLGJNF-UHFFFAOYSA-N 433.556 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C(C)C 1690428426 PHUVNZGLNXASOD-NRFANRHFSA-N 448.615 4.902 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690457257 UCAVYWFQBUJTKI-HXUWFJFHSA-N 436.560 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCN1CC 1690586103 FFYVWPJJYAPCJF-FQEVSTJZSA-N 425.646 4.938 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)nc1 1690604274 REXWWQHUZXTUAL-NRFANRHFSA-N 437.975 4.504 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1CCCC 1690605426 JIFYJMGHLLKYDM-UHFFFAOYSA-N 432.366 4.674 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1690649575 BEBSFFWLZVRNAF-RTWAWAEBSA-N 438.616 4.984 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(OC)CCCCC2)C1 1690689650 JCCTXTGVOVVDOY-FQEVSTJZSA-N 430.980 4.729 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@](C)(O)CCC(C)C)cc1 1693162144 HLUZCWLVBFRKPZ-GOTSBHOMSA-N 445.608 4.508 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C)(COC)CC1 1705509441 GKCMTSZJZXZSMK-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cc(C)cs1 1705514315 QZNFBVFEXFJESH-UHFFFAOYSA-N 430.581 4.941 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1705539308 ONVKOFLUGJJERH-AQNXPRMDSA-N 429.609 4.778 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC[C@H](OCC)C1CCCC1 1705675421 OBGDHOBPWVOHKY-JYFHCDHNSA-N 438.591 4.986 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1705721960 LQZVMZQWLZEZSA-QGZVFWFLSA-N 438.576 4.936 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1 1705731666 ZXNMAIISZJRIST-IRXDYDNUSA-N 437.009 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705802612 PZKNSMBDLQWEND-ATIYNZHBSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1705806512 GKIRTELUDMPZGJ-AABGKKOBSA-N 443.636 4.841 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C2CC2)CCC1 1705877463 HXMIITXINLPNKR-PUZFROQSSA-N 441.620 4.808 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1 1705878197 KCXCYPXYXCXNQQ-VXKWHMMOSA-N 445.611 4.703 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CC1CCN(CC(F)(F)F)CC1 1705879018 KCLVKYDFEYDRGR-UHFFFAOYSA-N 439.526 4.504 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1706124372 CAPCMWCMCZKPFP-VQTJNVASSA-N 443.542 4.894 30 10 IJEE CCOC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)CCCC1 1710492758 GGAPHYBZNSMXSU-ROUUACIJSA-N 429.540 4.645 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC[C@@H]1CC 1722283569 GFUHYVIJXFTSBM-AEFFLSMTSA-N 434.415 4.974 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](SC)C(C)(C)C 1722304329 YKKKKQNGXKTJNJ-VQIMIIECSA-N 432.659 4.815 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1OC 1722389228 GGLKDRFQKAYIIM-IBGZPJMESA-N 444.604 4.651 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2c(C)noc2C)CC1 1722564028 GGBMIPRDOOHFQC-LJQANCHMSA-N 437.544 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1722575226 BAWRJIRABVORIL-QZTJIDSGSA-N 429.012 4.516 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(C)C 1722588332 QIKJLDAVZFDUNW-IBGZPJMESA-N 449.640 4.671 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1)c1ccccc1 1722598107 ZOXCHPNRJYVCEX-XZOQPEGZSA-N 436.600 4.760 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1722613986 XMIVOXLYMBMHFD-URXFXBBRSA-N 430.600 4.796 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722625111 KZOSYHOEBRHROY-SANMLTNESA-N 449.599 4.727 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@](C)(CC)C1 1722625923 CPUGIRAVCGDVAX-OAQYLSRUSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(CC(F)(F)F)CC1 1722635741 DEUITXDFMMHFMU-UHFFFAOYSA-N 445.892 4.634 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCc1c(C)cccc1C 1722660865 JSZDXCLIEUEXLG-UHFFFAOYSA-N 449.624 4.628 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCc2cc(OC)ccc21 1722674875 JPKSPZWHHDRZBW-QFIPXVFZSA-N 429.568 4.571 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)c2ncc(C)s2)c1 1724177404 DBNSSNKKFHAEDH-ZWKOTPCHSA-N 438.601 4.638 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc2c(n1)CCCC2 1740536133 ZPHNDEZLZIEWBR-QZTJIDSGSA-N 449.986 4.852 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(COC)CCCCC1 1740537866 IBRAXEUDMMSWHC-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC[C@@H]1C 1740575404 NTFVLJWNQWMMGV-UXHICEINSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740650376 YNVPUOSOJBNZMQ-DHIUTWEWSA-N 445.655 4.826 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1=CCCCC1 1740679533 BSOXWCXWNPXVIT-UHFFFAOYSA-N 443.595 4.939 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnc(C)s1 1740779596 PLQPTKMJHDFROD-UHFFFAOYSA-N 432.391 4.993 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nnc(CC)s2)CC1 1740820962 YKRAJZAMYJHZFZ-UHFFFAOYSA-N 435.384 4.871 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)N2CCCC2)CC1 1740841920 GFBJGMNQQHZZNP-JOCHJYFZSA-N 441.595 4.519 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1)c1ccccc1 1740856544 UTIUHMCXHKDSES-DHIUTWEWSA-N 446.599 4.692 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1740869666 UYCYCIWUBCZYGX-UHFFFAOYSA-N 434.466 4.870 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1740872043 WVEYDQQINHMQON-QHCPKHFHSA-N 428.602 4.652 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(Cc1ccco1)C(C)C 1740956480 MCOSUKXICBROMH-UHFFFAOYSA-N 448.354 4.562 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC2(C)C)C1 1740973757 CXXCDNJXDGAHAF-WMZOPIPTSA-N 431.378 4.535 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCCCC1 1743928066 GMACYAABCPXPKN-URXFXBBRSA-N 438.595 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(COC)CCCCC1 1748639528 IQRUFDGMVVHKEU-MOPGFXCFSA-N 428.552 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1csc(C(C)C)n1 1748649143 KKMBNHMRBJHZGB-OAHLLOKOSA-N 445.539 4.827 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1748710301 LWDCOBSKFVWKDB-TZIWHRDSSA-N 443.636 4.869 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCc1csc(C(C)C)n1 1748880422 VJRDQZCKLMZPBI-UHFFFAOYSA-N 438.000 4.884 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1748890781 WAHVRDPJUQMYRH-GGAORHGYSA-N 435.641 4.543 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCCCC)CC1 1748983659 XITYMRJWICIXJV-UHFFFAOYSA-N 437.588 4.758 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N(Cc1ccco1)Cc1ccco1 1749028654 FQXQOHDTLZKBFQ-UHFFFAOYSA-N 436.512 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1749132084 YKPKVRINSRIRGH-YKSBVNFPSA-N 435.572 4.546 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccs1)N(C)C 1749148654 ARQCFSDZSCLCBK-QGZVFWFLSA-N 431.009 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1Cc1nc(C(C)C)cs1 1749162256 LLVHCMQVNWWMMA-UHFFFAOYSA-N 425.602 4.908 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C(C)C)C1 1749182152 PTIPDHVVTFBQCF-QGZVFWFLSA-N 439.785 4.798 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)O[C@H](CC)C1 1749257000 GQVBIIOAHWYHDS-ZWKOTPCHSA-N 442.947 4.873 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCCc1ccccn1 1749277886 NQDUWTHFBACPMC-UHFFFAOYSA-N 425.964 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@H]2OC)CC1 1749297030 YDIHNWJMAAUVTA-QFBILLFUSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](COC)C1 1749375490 CTNYEGSVKSFSOO-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CC[C@@H](Cn1c(N2CCCC(C)(C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1749385371 QEKPMIMZNDLBKW-NVQXNPDNSA-N 438.616 4.917 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CCc1nccc(C(F)(F)F)n1)C1CC1 1749512252 WAMPCPHGNPVCSW-UHFFFAOYSA-N 448.880 4.805 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)C1CC1 1749561836 YKMTWLMBYKTRDI-XMMPIXPASA-N 435.597 4.716 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(OC(C)C)CC2)cc1 1749685826 LPOHTVCYJLABKK-UHFFFAOYSA-N 426.605 4.874 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1749752146 JTEXRFZCDHGZKT-UHFFFAOYSA-N 433.572 4.974 30 10 IJEE CS[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1)C(C)(C)C 1750245908 AUKYPLILOROVAV-FQEVSTJZSA-N 439.629 4.601 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnc(C)s2)n1 1751739776 HUCJTIVVLQMZBF-AWEZNQCLSA-N 449.609 4.787 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1760310822 DMDPJQWGCUUXPY-LJQANCHMSA-N 445.405 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760330388 BACQZQJZFGTVJV-OALUTQOASA-N 432.012 4.500 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760341910 DNSOGKCTYYSYSW-HKUYNNGSSA-N 430.980 4.901 30 10 IJEE C=C(C)Cn1c(-c2cnccn2)nnc1N(Cc1cccs1)Cc1ccccc1OC 1760344872 NFCULOBLWCWKGT-UHFFFAOYSA-N 432.553 4.588 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760429340 ZOCOVQQCBFUAFG-UHFFFAOYSA-N 439.604 4.539 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1760451049 YOVCVWZYUACZOZ-LJQANCHMSA-N 438.494 4.768 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H](c1cccs1)N1CCCC1 1760465271 ALXJYKNUMCDBCN-FQEVSTJZSA-N 425.577 4.529 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1c(C)coc1C 1760497534 JHCVRSJXCKFICI-FQEVSTJZSA-N 441.576 4.787 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CCN1CCC[C@@H](C)C1 1760499943 PYAQUAOFBKKTCH-HXUWFJFHSA-N 437.563 4.644 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCS[C@H](C)[C@H]2C)cc1 1760531556 SFNXKJSMJFCXQE-RTBURBONSA-N 426.630 4.954 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)c2cccc(C)c2)C1 1760546276 LZXZFAXYAIMPJR-XMSQKQJNSA-N 437.613 4.527 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCC2(C)C)C1 1760547764 RBLCAWPEFZTGFE-RBUKOAKNSA-N 428.552 4.604 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2ccco2)CC1 1762947680 GAJMCNYONUGYQC-PMACEKPBSA-N 432.572 4.728 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@@H](C)C[C@H](C)C1)C1CCCC1 1764764425 AHUQZLBOCIBDCB-SFTDATJTSA-N 434.632 4.954 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1OC 1862437238 MPYRTDLHUXXIGL-FQEVSTJZSA-N 429.900 4.592 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862478267 CHZUBJNMAPYIDP-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862482772 TYJYBYXQIZMNCB-IBGZPJMESA-N 433.426 4.629 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2Cl)c1 1862491350 QUSGSJRCFRLDOX-JOCHJYFZSA-N 449.938 4.822 30 10 IJEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(O)cc2)cc1 1862555937 LJFRBFOHVMUWQY-GYCJOSAFSA-N 442.515 4.876 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H](C)CC)cc1 1862633506 LSWULMPHEAZPOZ-IVZQSRNASA-N 437.492 4.581 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)cc1F 1862638514 CSUGUXCNNIZWHE-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC)c1 1862644457 LSYWYAOYPDOWRG-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc2ccccc12 1862652019 DKRSCECTXWVZSJ-SSOJOUAXSA-N 437.495 4.952 30 10 IJEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccncc2)C1=O 1863527394 PFMPQGIUZKRAFF-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OCC)c2)n(-c2cccc(Cl)c2)n1 1870002612 RDJXURXQJQWDNA-UHFFFAOYSA-N 437.931 4.750 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870111411 MGXAWAKOIXZTJR-HUUCEWRRSA-N 446.725 4.900 30 10 IJEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)nnn1-c1ccc(C(F)(F)F)cc1 1870145919 VYOQMTJLSJTZDZ-UHFFFAOYSA-N 443.429 4.572 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1cc(Cl)cc(Cl)c1 1870146195 IFMIMTBJGBFFBA-SNVBAGLBSA-N 436.686 4.505 30 10 IJEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCc2ccccc2C1 1870347584 KGNZNLUBIZXYIT-UHFFFAOYSA-N 427.548 4.513 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCOCC1 1870625541 IXHZCCWUUOZHQU-UHFFFAOYSA-N 430.564 4.759 30 10 IJEE C#CCOc1cn(CCCOCC)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871004977 JAMNZLSDRQDGTH-UHFFFAOYSA-N 432.520 4.691 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871381858 FZGAYNCPMMQHSI-XKZIYDEJSA-N 432.403 4.895 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871438509 BZSSGQYZCBAGJG-FMCGGJTJSA-N 445.446 4.970 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1871789656 FDTHBOOPVDVKLF-GOSISDBHSA-N 426.991 4.550 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871829509 KDGKSNZINZSNKG-JOCHJYFZSA-N 432.561 4.789 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCC)cc1)c1ccccc1)S(=O)(=O)CCCC 1871921412 BLLWTPMUOBUPHY-HSZRJFAPSA-N 444.597 4.773 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CCC 1872114305 DDCGYXUUQBUAJM-MRXNPFEDSA-N 440.915 4.694 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1cccs1 1872207957 QEYHLJIZWMENJJ-SFHVURJKSA-N 440.590 4.927 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872236517 FVQWLTBDWOYDPI-HXUWFJFHSA-N 434.989 4.859 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OC 1872761273 JULBYZQCFRXKRW-AWEZNQCLSA-N 443.868 4.879 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641215 HKCBUOTVIUODIL-UHFFFAOYSA-N 431.471 4.635 30 10 IJEE Cc1ccccc1CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1 1874272828 SBYFLQDLCICIPI-YYHBXHNPSA-N 447.608 4.875 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1OC(C)C 1874277115 KHHRARKSNUBVNV-SDCZFJSOSA-N 443.617 4.564 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874310178 ITUIFTPGHVRTRM-OEAKJJBVSA-N 437.525 4.531 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc(Br)c1 1874322112 ALKZUXRSULFSQQ-SRZZPIQSSA-N 431.359 4.841 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874430219 YLKJUHWVKHFSTI-DHRITJCHSA-N 448.470 4.891 30 10 IJEE CCCCCCOc1c(Br)cc(/C=N/n2c(C)nnc2SC)cc1OC 1874529356 FNAQXFINYVLBBK-UDWIEESQSA-N 441.395 4.921 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COCc2ccccc2)cc1OC 1874562863 WRZRNCYRLTUTTA-BUVRLJJBSA-N 440.569 4.743 30 10 IJEE Fc1ccccc1COc1ccc(/C=N/n2c(S)nnc2CCOc2ccccc2)cc1 1874562920 ZOJGYGRKYHYPLG-WGOQTCKBSA-N 448.523 4.789 30 10 IJEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1cc(F)ccc1F 1874566674 IJWTXLDXPPLHGG-ZMOGYAJESA-N 432.496 4.875 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2cccc(Br)c2)c1 1874731091 UVDPPKLQBWBQIX-UHFFFAOYSA-N 428.326 4.915 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 1875098546 FLUVPEACBXQYKK-GXDHUFHOSA-N 432.472 4.757 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1F 1877008296 CZFSREHRGGZSKV-ROUUACIJSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2 1917728455 RRUWMNLRRQNLQP-UHFFFAOYSA-N 447.498 4.859 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 1922085748 LEJJOOHPQAOJGT-GHTZIAJQSA-N 430.511 4.973 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 2010543570 NAHVQGAXJVETTF-YWZLYKJASA-N 443.931 4.649 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1c(F)cccc1Cl)c1cccnc1 2033813250 MFAYFJMVLYRBIE-SFHVURJKSA-N 428.872 4.714 30 10 IJEE CC(C)(C)[C@@H](n1nc(C(F)(F)F)c(C=NO)c1I)C1(C)CC1 2079873488 PPQHTCOCSBECPC-LLVKDONJSA-N 429.224 4.702 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCCC 2110504042 OUFBPKKBUCYARE-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C[C@H]1C[C@@H](CNc2cc(Br)c(C#N)cc2F)CN(C(=O)OC(C)(C)C)C1 2115934952 FCHHFEOYHHCHGV-STQMWFEESA-N 426.330 4.765 30 10 IJEE COCC[C@@]1(Nc2ccc(C#N)c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2162312544 JDHICNFLRZMSGG-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 2174814683 KKEHGLHKZPOHHK-LPHOPBHVSA-N 434.378 4.937 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 2235718029 CJJRHZQVKOPGEA-LQBOVUBWSA-N 433.390 4.711 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2235723288 BLQJFQPRFIVYJE-QWFCFKBJSA-N 435.406 4.862 30 10 IJEE C#CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243924603 IVNGHQJOSCULNR-CLJLJLNGSA-N 444.575 4.858 30 10 IJEE C=C(CN(C)C(=O)c1c(C)cccc1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256734816 GOFMNCMJLZFEIX-UHFFFAOYSA-N 430.354 4.602 30 10 IJEE N[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 2278793608 NCDSLUVRFKSOPS-DHIUTWEWSA-N 449.348 4.796 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2cccc(Br)c2)CC2(CCCC2)C1 2296225283 SXVKGQCFSDCTEE-SFHVURJKSA-N 433.390 4.746 30 10 IJEE CCCOc1cccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 2296924089 SIPGXNPIFUCNCD-OAQYLSRUSA-N 434.517 4.554 30 10 IJEE O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccccc1 2296928056 NYGTUBANFZHFRB-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCCCC(=O)O)cc1 2297311570 AZGFIOJAYMTYNX-XMMPIXPASA-N 433.504 4.618 30 10 IJEE COc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccccc3OC)c(OC)c1)C2=O 2314527507 WETAVKNOLDRZCI-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CC2)cc1 2320892250 AJADLDAQNCJADM-QGZVFWFLSA-N 433.581 4.570 30 10 IJEE CCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2321048333 IGYBTKMHIVUJBD-SFHVURJKSA-N 449.624 4.990 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322170715 AIUYNYDBJJTIHL-UHFFFAOYSA-N 445.563 4.597 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)c1 2323921509 KTPZIHQXQYXCJQ-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(OC)c(O)c(OC)c1 2325513056 WZEOHYTUGPWTBU-UHFFFAOYSA-N 444.532 4.657 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1c(C)[nH]c2ccccc12 2326763750 VUVFMAVTZVOLGA-UHFFFAOYSA-N 447.564 4.981 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)ccc1O 2330651740 PRBYRUAMBBAUFJ-UHFFFAOYSA-N 434.496 4.973 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 2330889107 GTSPURXJJZWFDO-UHFFFAOYSA-N 430.254 4.959 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1 2330971276 NOODDYHWYKCXOB-UHFFFAOYSA-N 447.443 4.622 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc2c(c1)OCO2 2331165542 WWLYZHNMUXWSRP-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE Cc1ccc(O)c(C=Nn2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2331445660 XNFOMIZJUQFALR-UHFFFAOYSA-N 425.514 4.573 30 10 IJEE CCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc2ccccc12 2331665133 SQWGLLUUNDQMSK-UHFFFAOYSA-N 443.576 4.675 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339535179 KUDIKBMDZLKMQM-IBGZPJMESA-N 443.397 4.928 30 10 IJEE C[C@@H]1[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339591437 BAKRUIKEEKSDNR-MJGOQNOKSA-N 443.397 4.926 30 10 IJEE C[C@H]1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339594499 VPISRLKPNLSBIC-LUOJLBBYSA-N 444.381 4.893 30 10 IJEE C[C@@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N1C(=O)OC(C)(C)C 2339596521 JPAGFFFFOBLHRJ-CONOYDDESA-N 443.397 4.560 30 10 IJEE C[C@H]1CC(C#N)(Cc2ccc(I)c(Br)c2)C[C@H](C)O1 2349877642 HJSJHOOJEBNOEY-QWRGUYRKSA-N 434.115 4.694 30 10 IJEE COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2C1=O 2424051 CXVFXJOCQFHYNI-CJRODQGCSA-N 443.411 4.995 30 10 IJEE CCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCC)c(OC)c1)C2 20882490 OMSUWIPWJOLKIM-UYAOXDASSA-N 449.547 4.887 30 10 IJEE C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1[C@H]1COc2ccccc2O1 24045392 HKJLWIGSPKLRNE-CZUORRHYSA-N 427.530 4.510 30 10 IJEE CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@H]2c2ccccc2)nc1C 35420888 HDJKABSNGPFZPT-DZFTYQQFSA-N 444.512 4.837 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(OC)cc4)ccc3C2=O)cc1 39754406 BZEQKJZWMVNJEM-QFEZKATASA-N 430.456 4.972 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 59789201 PRHSPDDDIMLCFN-UHFFFAOYSA-N 443.916 4.814 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2nc3ccccc3n2Cc2ccccc2C#N)C1 95074530 YJJYRLIYOAWUNF-NRFANRHFSA-N 445.567 4.792 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccc(C)c2)c1 169966258 FWUPIYOPZWGICY-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccccc1OC 170125178 XULNITXCUVWSFV-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)cc1C 170157517 ICUJHUOWJHZRCR-OAQYLSRUSA-N 435.501 4.862 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)c(C)c1 170160981 IWHBTGFSZOQLNK-OAQYLSRUSA-N 430.485 4.720 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccn2)cc1 170171719 MLOITXAUAYVXTF-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1 170190649 RGOVWASXDMXXRM-HSZRJFAPSA-N 439.471 4.525 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)cc1Cl 170199985 LATPSSPWAVZYPF-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)ccc1Cl 170206141 NLSAYXKZIWCQBH-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170259322 MGPIGSRXBUESFJ-QHCPKHFHSA-N 427.456 4.500 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2C)cc1 170270556 DRVNLEQBORGFAN-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccc(C)o2)cc1 170301570 RQKRUXVKGAJQLW-NRFANRHFSA-N 437.423 4.527 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1C 170305270 PISMVJGVJUKBLR-QFIPXVFZSA-N 428.444 4.560 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccc2OC)c1 170419494 AJKHANGOHYMLRC-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccccc2OC)ccc1OC 170440968 HJGXVVPWYIUVHN-OAQYLSRUSA-N 439.508 4.618 30 10 IJEE ON=C1C[C@@H](Sc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2)[C@H]2CO[C@H]1O2 254867259 CRCGPAKBIIZFSD-LMMKCTJWSA-N 447.438 4.752 30 10 IJEE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C 257429426 GUERPVMWCQXYEU-ARVYMEOJSA-N 444.656 4.820 30 10 IJEE biogenic Cc1cc(N)c(C#N)cc1Nc1ccc(I)c(Br)c1 311470598 YFCDAUBLSIKHDM-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 438073556 LAJATWGHTGPBAD-XXBNENTESA-N 428.552 4.551 30 10 IJEE CCc1cc(Br)ccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446328792 CAKUDWDRYJQFBX-UHFFFAOYSA-N 443.345 4.790 30 10 IJEE FC(F)(F)COCCN1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469454685 MREJPMAQDXJGDF-CYBMUJFWSA-N 425.291 4.676 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@H]2c2cccn2C)n(Cc2ccc(F)cc2)c1C 472316171 OYIWKWPVLHFWOI-DEOSSOPVSA-N 447.558 4.668 30 10 IJEE CCn1c(NC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)nc2cc(C#N)ccc21 490772715 XHFOAAJGPCDHKK-UHFFFAOYSA-N 429.505 4.802 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 514692853 FJQOTZISIGXBER-AWEZNQCLSA-N 448.470 4.717 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 521714750 UTHNETAPAFJZBY-FQEVSTJZSA-N 425.485 4.763 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2C(=O)O)c1 526488725 MKEZPUXKWWITDU-HSZRJFAPSA-N 440.455 4.712 30 10 IJEE COc1ccc(OC)c([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489058 OVJUDXTYCRGWSA-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3C#N)C2=O)cc1 526662867 AREFWBGZFKGYEI-UHFFFAOYSA-N 436.496 4.728 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3OC)C2)c1 586000681 ALAANSNLOPOKTC-OAQYLSRUSA-N 435.568 4.567 30 10 IJEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2F)cc1 586251345 FUBQMQNEFZNDND-UHFFFAOYSA-N 428.460 4.631 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 609356616 PXTMSELIMMQGDI-ODOSVJCGSA-N 431.536 4.534 30 10 IJEE CC(C)CCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 726413052 VMWFBBJGWXNHQK-FQEVSTJZSA-N 431.602 4.510 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1 750730967 UFTOECRAORPGSI-UKILVPOCSA-N 433.515 4.893 30 10 IJEE COC(=O)[C@@H](OC(=O)c1csc(-c2cccc3ccccc23)n1)c1cccc(C#N)c1 778190139 YAXAUSOJBMXBEZ-NRFANRHFSA-N 428.469 4.906 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2CC1 789753189 KKEDIHMKNCDBDS-UHFFFAOYSA-N 437.515 4.722 30 10 IJEE CC(=O)N(c1nc(/C=C/C(=O)c2cn3c(n2)CCCC3)cs1)c1ccc(F)cc1F 806564078 JALFUZPQWSNYCH-SOFGYWHQSA-N 428.464 4.535 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 807467069 KQJFLYIQNQSBMT-IFMALSPDSA-N 448.954 4.914 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1cccc([N+](=O)[O-])c1 917613291 OIJNQKGHUUHERV-UHFFFAOYSA-O 431.497 4.640 30 10 IJEE N#Cc1ccccc1N=c1scc(-c2ccc3nc(O)oc3c2)n1Cc1cccnc1 917647719 NADCLSAGACWTTK-UHFFFAOYSA-N 425.473 4.611 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccccc2F)n1)Nc1cccc2ccccc12 1084041890 NPMYKNFBHNEOSG-UHFFFAOYSA-N 434.500 4.664 30 10 IJEE C=CCc1cc(CNC(=O)C(F)(F)c2ccccc2Br)cc(OC)c1OC 1125544060 AOAGRAKFUHNKHS-UHFFFAOYSA-N 440.284 4.603 30 10 IJEE C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H](C)N1C(=O)OC(C)(C)C 1126202177 FYDCEQQKWNULDB-HDICACEKSA-N 435.524 4.820 30 10 IJEE C#CCN(C(=O)c1nc2ccccc2cc1C)[C@H]1CCOc2ccc(Br)cc21 1126229905 RUHWABIGKBSZIY-FQEVSTJZSA-N 435.321 4.905 30 10 IJEE CCO[C@H]1C[C@@H](N(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C12CCCCC2 1126659639 BNHNIJPUNFXQHC-PKTZIBPZSA-N 427.564 4.500 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1128003705 WWTWHQIIPYUGKL-YLJYHZDGSA-N 449.469 4.662 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccc(F)c(F)c1 1128248357 BHGLMUONQZPSJN-LJQANCHMSA-N 432.268 4.960 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC(=O)N(c3ccc(CCC)cc3)C2)cc1 1128302951 XEWITODMDDQEPV-NRFANRHFSA-N 434.536 4.640 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)c1ccc(Cl)cc1 1129722211 JRJYVZDQUAQLBQ-INIZCTEOSA-N 434.746 4.513 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)cc1 1133187203 BYBDBGIOEURJAU-VWLOTQADSA-N 427.460 4.866 30 10 IJEE C#C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C 1134916174 URILIURNLAZOJZ-HNNXBMFYSA-N 435.380 4.544 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)CCCN1C(=O)OC(C)(C)C 1137795912 QRNVPUCUCXHIRR-GJZUVCINSA-N 441.616 4.768 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)n[nH]2)c1C 1141418780 BDJMGHNCAQXOPN-QFIPXVFZSA-N 425.536 4.790 30 10 IJEE Cc1ccc([C@](O)(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)C(F)(F)F)o1 1162667786 HRLZAFRZPWJTNG-KZULUSFZSA-N 448.363 4.688 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)C1 1163144621 BCVWFWXCHBFQJH-SANMLTNESA-N 449.599 4.711 30 10 IJEE C=CCN(CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCCC2)C(C)C 1167227107 GWMDFVZGZHKIPL-UHFFFAOYSA-N 441.597 4.723 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc([C@H](O)C(F)(F)F)cc3)c2)cc1 1171648998 BMDPDTIFHGWEIS-NRFANRHFSA-N 426.394 4.985 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3cc(OC)c4ccccc4c3)n[nH]2)c1C 1179986980 MYFSOWOVQPPOJJ-HNNXBMFYSA-N 429.524 4.729 30 10 IJEE C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 1186939549 FUWJMKXOGSOGGA-VOZBZGINSA-N 428.863 4.906 30 10 IJEE C[C@@H]1[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1Cc1ccccc1 1198015870 AUIWIKVQTQWDLE-WZONZLPQSA-N 427.508 4.530 30 10 IJEE C=CCOc1c(Cl)cc(CN(CCO)Cc2cc(Br)cs2)cc1OC 1205399778 QBMFDTUEDKCKSY-UHFFFAOYSA-N 446.794 4.732 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCC3(c4ccccc4Cl)CC3)n2)c(Cl)c1 1216105819 BXQOFEPTUJXGRZ-UHFFFAOYSA-N 426.307 4.904 30 10 IJEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccco2)c1)[C@@H]1CCCc2ccccc21 1222332829 LOABFZUBKPJKOI-HSZRJFAPSA-N 427.504 4.754 30 10 IJEE C#CC[C@@H](NC(=O)N[C@H](C)CCc1ccc(I)cc1)c1ccccc1 1224390965 YTDWVPATYUUSCM-OXQOHEQNSA-N 446.332 4.676 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1224521388 GHVADWFCZBRJBB-WOJBJXKFSA-N 442.357 4.561 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)C(C)(C)C 1286272457 AQISVCUYKDPHFV-APWZRJJASA-N 437.613 4.896 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)N1CCCCC1 1286273013 FALXKJQGWSPNAX-GHTZIAJQSA-N 437.975 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCCc1nc(C)cs1 1286277375 COHLDTWRGRWXBC-ROUUACIJSA-N 441.576 4.803 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCC(F)(F)CC1 1286418782 QGGUKHMEKLFSBT-UHFFFAOYSA-N 448.521 4.624 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)CN1CCCC1 1286440697 ILHONERTDHXJMZ-UHFFFAOYSA-N 434.415 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1286551192 LAFLGCPEEGHNPX-NIJIEXERSA-N 443.954 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)c1c(C)noc1C 1286572115 ZJXYQMURNFMPGR-MRXNPFEDSA-N 437.544 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCc1coc(-c2ccc(C)cc2)n1 1286578171 AAONBZOHHDBHMC-UHFFFAOYSA-N 442.567 4.872 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)c2nc(C)cs2)CC1 1286651105 SBRXXBPMLJKELO-BHIYHBOVSA-N 429.634 4.922 30 10 IJEE C=CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CCC)c1ccccc1 1286679300 NHNNOBOFZUQDLG-QUCCMNQESA-N 435.572 4.991 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286704210 MHFSYURKMRYSKF-HXUWFJFHSA-N 429.996 4.541 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1286743724 PWNYQSLLKPQJLN-DNQXCXABSA-N 431.584 4.984 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)SC 1286757589 RUFPDVYOVVWKMV-SFHVURJKSA-N 449.665 4.713 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)C1 1286809784 VNGHXAKWFNGQAJ-DYESRHJHSA-N 430.980 4.838 30 10 IJEE N#Cc1c(F)cccc1C(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 1290715518 GJBZDOSJJIBHIW-UHFFFAOYSA-N 438.886 4.564 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCO[C@H]1C(=C)C 1300437993 CBCNGYXPCJFDMO-KXBFYZLASA-N 426.973 4.864 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nc(C)c(C)s1 1300521429 PRGCQFBGKJZLKS-UHFFFAOYSA-N 444.391 4.641 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1 1300777287 SSVXXRFOCZYTGQ-UHFFFAOYSA-N 448.017 4.523 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1300876026 RCPPPVJUVRSWLE-GFAJBQDWSA-N 427.420 4.793 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC1(N2CCOCC2)CCCCC1 1300907706 PHVXMYFJKDDYFV-UHFFFAOYSA-N 437.632 4.691 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1300944696 DREBUTPXMFBEHM-MRXNPFEDSA-N 439.585 4.817 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CC1)C1CCC1 1300950955 SZYSROGJVOOBBE-IBGZPJMESA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1CCOc2ccccc21 1301270253 FPZJOZZUVPOZDJ-OAHLLOKOSA-N 442.361 4.614 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(CC)(CC)SC 1301270834 MBVTWAUKXCESDB-UHFFFAOYSA-N 426.428 4.590 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2csc(CC)n2)C1 1301546817 VEDRCEWJWMDZLM-KRWDZBQOSA-N 444.004 4.641 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CCCC3)C(=O)OC 1307259835 XTGBJYJKIFQGRP-KRWDZBQOSA-N 440.590 4.763 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(OCCNC(=O)OC(C)(C)C)cc1 1308369388 MBHICLIIIDOLRO-UHFFFAOYSA-N 430.932 4.868 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](CCOC)c2cccc(C(F)(F)F)c2)cc1 1309499044 JMMBRENVQFTJOB-FQEVSTJZSA-N 427.488 4.880 30 10 IJEE C=CCC1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)CCCC1 1312685531 FTNOOJCRLTXOOB-IAGOWNOFSA-N 447.542 4.858 30 10 IJEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)C1 1315893095 FZBDLPBMSUPFRN-UYAOXDASSA-N 435.597 4.620 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(Br)nc(Br)c1 1355347908 ZYOIYOMOLCVYCQ-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)cc(OC)c1OC 1357246213 DSSGSODNDCDSCG-UHFFFAOYSA-N 425.525 4.626 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C[C@@H]1CCOC1)C1CC1 1358908974 PVTSCLCBMLHPFO-KRWDZBQOSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(C(C)(C)C)CC1 1358922421 DYFQSHHSRZPBGL-UHFFFAOYSA-N 439.673 5.000 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC(F)(F)C1 1358972892 WUXFZIKBCBMERH-MRXNPFEDSA-N 447.327 4.524 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)N(CC)CC 1359002237 SHQJSLANWUNHLM-NRFANRHFSA-N 432.616 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC[C@@H](C)N1CCCCC1 1359066926 UYVLNXWESYERDY-NTKDMRAZSA-N 426.008 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCSC(CC)(CC)C1 1359096402 BFDLDMFRTVKMMH-FPOVZHCZSA-N 441.645 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1359111216 SEMOERKFHLAPSN-WIOPSUGQSA-N 434.588 4.881 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOCC2(CC2)C1 1359117414 ZATLVFKAXYOCRV-SFHVURJKSA-N 430.980 4.881 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1359117475 CEMFETHWSCFPEY-KRWDZBQOSA-N 446.979 4.770 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359183941 YGBWDLFFMLCQCX-DHIUTWEWSA-N 448.615 4.524 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1359188513 PCFGFJUUKSEGGO-FXAWDEMLSA-N 430.980 4.616 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359218759 UNJCRDUFVLDILA-UHFFFAOYSA-N 436.625 4.779 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1Cc1cccnc1OC1CCCC1 1360480615 DCUAENONEWZPOG-FQEVSTJZSA-N 444.583 4.566 30 10 IJEE C#C[C@@H](NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1436649511 TVGOMVBHDWLDST-BWKNWUBXSA-N 438.955 4.709 30 10 IJEE C#CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1CCCc2ccccc21 1439621239 BFZWVGOUPSPKPZ-QFIPXVFZSA-N 434.337 4.788 30 10 IJEE C=CCOc1c(Br)cc(CNCC(C)(C)N2CCC[C@H](C)C2)cc1OC 1461100875 MKKAVEHBRUFWRD-INIZCTEOSA-N 425.411 4.623 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(Cc2ccccc2)cs1)c1ccc(Br)cc1 1465980564 HJNZRLYTWSWECO-SFHVURJKSA-N 426.339 4.992 30 10 IJEE C=CCN1CC[C@@H](Sc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2C(C)C)C1=O 1472922998 MCDOZHDOYMGLAK-JOCHJYFZSA-N 448.592 4.945 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 1477620142 DODBGTXXXWDGEK-OAHLLOKOSA-N 427.430 4.665 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1477675929 JZTYJZVZIBPVGC-ONTIZHBOSA-N 433.637 4.739 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 1477912081 CSFHKONIFGPUEZ-HRAATJIYSA-N 434.458 4.942 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(CCCO)CC1 1507555381 OXRYCNJLKMLUKV-UHFFFAOYSA-N 445.405 4.500 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@H]2CCOC2)CC1 1507575554 SBSTVUXKGSQPKL-GMAHTHKFSA-N 436.600 4.701 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1507796433 HXGQZPNAXZOCSK-WMZHIEFXSA-N 442.629 4.619 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1507796769 JQLJGWIJVNHWAW-JQZBISMTSA-N 441.447 4.868 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[C@@H](O)C1 1507818791 XFQUNKAGEZIENR-PZJWPPBQSA-N 442.604 4.694 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCSc2c([nH]c3ccccc23)C1 1507837194 KFQFJRGBOACACU-KRWDZBQOSA-N 425.602 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCN(C(C)C)C(C)C)CC1 1507881860 ANJGZABBTLVYIV-UHFFFAOYSA-N 434.588 4.875 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)C)C1 1507918886 KOJCKLQVPKRLTQ-QFIPXVFZSA-N 426.605 4.937 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2cccs2)CC1 1507934126 XQQWCWZIXOERHT-UHFFFAOYSA-N 439.604 4.748 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507939049 LFRWSOVTLZIYJN-XMMPIXPASA-N 436.648 4.713 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(N(C)C)CCSC1)C1CC1 1507989382 ZOGAWMOXJAHQLW-VWLOTQADSA-N 439.673 4.835 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)c1ccc(C)cc1 1508073424 NBUJLLMIRWICDV-KRWDZBQOSA-N 435.597 4.510 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@](C)(OC)CC1 1508165743 XBZRJSWVADPBNC-XMMPIXPASA-N 439.629 4.596 30 10 IJEE CN(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)c1cccs1 1516978495 ALVJUBHXUSDEDW-IBGZPJMESA-N 441.004 4.703 30 10 IJEE Cc1ccccc1COc1ccccc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1517565929 CFSDTYNUIWQYOA-UHFFFAOYSA-N 441.531 4.961 30 10 IJEE C#C[C@@H](C)N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1524939159 NPWDWIJJUPSGOQ-CQSZACIVSA-N 445.375 4.813 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(C(F)(F)F)c(F)cc2C)CCCN1C(=O)OC(C)(C)C 1527411732 LRACUAWSJNLAFC-FQEVSTJZSA-N 428.426 4.884 30 10 IJEE C=CC1(CC(=O)Nc2cc(I)cc(C(=O)OC)c2)CCCCC1 1527524840 HFPSIUYWYJHQOJ-UHFFFAOYSA-N 427.282 4.543 30 10 IJEE C#C[C@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(Br)cc1 1528497565 OGVTWVFAJBULFQ-HNNXBMFYSA-N 432.224 4.541 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(CC)CCCC2)CC1 1539438473 XVRYMYZEQYQMGP-UHFFFAOYSA-N 433.644 4.968 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCCO1 1539547204 VDIZXNIJNYWRAQ-YADHBBJMSA-N 443.389 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1C(F)(F)C12CCC2 1539659046 HHICALBWRTWXMV-IBGZPJMESA-N 432.515 4.800 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1539742578 GLJKDXDLHKPPPG-IBGZPJMESA-N 437.588 4.803 30 10 IJEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1ccccc1)Cc1ccco1 1539824529 WPERZTIUTYEOMD-FPOVZHCZSA-N 442.947 4.554 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539990906 AVJFSRSAZCFYBI-HXUWFJFHSA-N 439.604 4.913 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCCN1CCCCC1 1540133415 FULGVVAVNWYHML-UHFFFAOYSA-N 434.563 4.548 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2C[C@H](C)S[C@H](C)C2)cc1 1540877870 ILNKIZOOGJIRIK-KDURUIRLSA-N 435.597 4.592 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1540920295 UIMIPTNZAAYLIC-OAHLLOKOSA-N 444.498 4.694 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCC1 1541104941 COHPQCUFDHRABE-QZTJIDSGSA-N 445.011 4.542 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCCC[C@H]1C 1541335962 HBRWRDVXQJDGIV-OAQYLSRUSA-N 432.616 4.831 30 10 IJEE C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1)N1CCCCC1 1541819281 BKDKPPZABGITDM-FQEVSTJZSA-N 448.640 4.822 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1OCCOCC 1542470011 ZXXOPJAHGGPLIL-MRXNPFEDSA-N 447.359 4.730 30 10 IJEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(F)(F)CC2)ccn1 1552473592 AKXJHSMVCHBBBC-UHFFFAOYSA-N 440.523 4.608 30 10 IJEE C=CCC1(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCC1 1556587154 VHQZSZDKEUSYHH-UHFFFAOYSA-N 442.581 4.671 30 10 IJEE C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)CC1CCCCC1 1559538327 VHBDLYYIQWOCGN-UHFFFAOYSA-N 449.551 4.674 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NC(C)(C)c1ccc(Br)c(C)c1)C(C)C 1563453287 CYFXNSRKMGEGFP-FQEVSTJZSA-N 436.438 4.990 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 1586346185 MVGPWSRHSITOTN-GFCCVEGCSA-N 433.723 4.844 30 10 IJEE C=CCn1c(SCC(=O)N[C@]2(C)CC2(C)C)nnc1-c1ccc(Cl)cc1Cl 1586803565 KBVHNZNJAZRJQC-LJQANCHMSA-N 425.385 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC)CCC 1589496743 ZIKYWWLTMOEUQF-REWPJTCUSA-N 434.588 4.943 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CCOCC)CCCC2)CC1 1594128185 NHSVKSVQPUDAIS-UHFFFAOYSA-N 449.599 4.872 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(F)F)CC1 1594582992 WXJGYAHPWNCZBC-KRWDZBQOSA-N 449.615 4.875 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1595033799 QFGGEIFTRWCNPT-KBPBESRZSA-N 437.407 4.597 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CSCCS1 1595116915 XMSCVEQMHCHMNP-UXHICEINSA-N 430.643 4.561 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1595330505 VVERSMNUEXLKEY-OAHLLOKOSA-N 444.377 4.545 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595350704 SCIJIYJDBBPZQL-WIYYLYMNSA-N 439.604 4.823 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1598379690 LBOAIQJILLIRLV-NRFANRHFSA-N 447.000 4.952 30 10 IJEE C=CCn1c(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc2cc(Cl)ccc2c1=O 1613136372 YYKXHFNHCCEMPJ-CQSZACIVSA-N 435.977 4.585 30 10 IJEE C=C[C@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)C(=O)OC 1613166102 AQHGBUVIIGAZRW-HNNXBMFYSA-N 440.571 4.995 30 10 IJEE COc1cccc(-n2c(SCC(C)(C)CC#N)nc3sc4c(c3c2=O)CCC4)c1 1613263651 GGZCKUXIQUUHIA-UHFFFAOYSA-N 425.579 4.976 30 10 IJEE Cc1csc(Nc2ccc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)cc2)n1 1618197542 BFPNPFCKZRZLIX-UHFFFAOYSA-N 437.956 4.683 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1618459643 YWVCPECTHHUBGZ-OAQYLSRUSA-N 448.563 4.685 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)C1 1618916287 NDHYTSBOVYKWCU-OAQYLSRUSA-N 426.564 4.946 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 1630113837 UDQFFZSJWFHDGF-MJGOQNOKSA-N 428.533 4.603 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)cc(Br)c1O 1633112195 RXKPCJQQLYXBJA-ZDUSSCGKSA-N 447.757 4.996 30 10 IJEE C=CC[C@H]1CCN1C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1636893368 AMZWNAOUBVHOME-HOCLYGCPSA-N 425.579 4.863 30 10 IJEE C=CCOc1ccc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)cc1OC 1637461097 UPKIXZXDHZMEGR-UHFFFAOYSA-N 426.563 4.952 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 1637848008 FTGWGQYXUDRISQ-GOSISDBHSA-N 426.973 4.625 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@@H]3[C@H](O)c3ccccc3)c2)cc1 1639409595 BQHBZZPMEFVPDI-CLJLJLNGSA-N 426.516 4.866 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1F 1640462809 BQDXAILGISRHNP-WOJBJXKFSA-N 435.326 4.768 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2n[nH]c(C)c2-c2ccc(Br)cc2)cc1 1640984758 IWOZRAAAOIFBMY-UHFFFAOYSA-N 426.314 4.894 30 10 IJEE C=CC(C)(C)CCNC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1642171092 YRJVHTOLXXJGRH-UHFFFAOYSA-N 441.984 4.719 30 10 IJEE CC[C@H]1Cc2ccccc2CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1642633444 GICYERDPUDNEOQ-DEOSSOPVSA-N 426.564 4.800 30 10 IJEE C[C@@H](c1ccsc1)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 1642802198 CLSOLQXJWDQMKB-SJORKVTESA-N 442.654 4.513 30 10 IJEE C#C[C@@H](Nc1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c12)c1ccc(Cl)cc1 1651123384 GCNRXOXLMMUVSU-MRXNPFEDSA-N 442.972 4.678 30 10 IJEE C#CCN(c1cc(C)nc(-c2ccccn2)n1)[C@H]1CCOc2ccc(Br)cc21 1655142461 ASVHNGXQYHVDJE-IBGZPJMESA-N 435.325 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(Br)cc(Br)c1OCC 1656162538 DURLYFZCTUHLSK-LRDDRELGSA-N 433.184 4.681 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(C(=O)OC)cc2C(F)(F)F)cc1 1659625945 UTQAUTZNEDUBBT-UHFFFAOYSA-N 432.442 4.918 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)c1ccccc1 1663909994 NSXLJJYZEPXLRK-SFHVURJKSA-N 426.460 4.563 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C34CCCC4)cc21 1664933723 VPGLRCKQKRESAA-HXUWFJFHSA-N 439.560 4.666 30 10 IJEE O=S(=O)(NCc1ccc(F)cc1C(F)(F)F)c1cc(Cl)ccc1C(F)(F)F 1666423102 IEFLOGKWVDETSW-UHFFFAOYSA-N 435.748 4.995 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cc(OC)c1OC 1667711448 UWYZUBVHTGTMPO-IBGZPJMESA-N 428.504 4.673 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)ccc1OC 1668881916 FXYZSHKPTUAFPN-WIYYLYMNSA-N 447.539 4.689 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 1671187204 NEMNRZUMFQXZAA-NRFANRHFSA-N 435.568 4.566 30 10 IJEE C=CCCCN(CC)C(=O)Nc1cccc(Br)c1I 1673120745 AVOXVRIXXDJUIY-UHFFFAOYSA-N 437.119 4.874 30 10 IJEE C#Cc1ccc(NC(=O)NCC[C@@H]2C(=O)N(Cc3ccccc3C)N=C2CC)c(Cl)c1 1673380406 AHIJVRHNUBZTJH-IBGZPJMESA-N 436.943 4.566 30 10 IJEE CCCN(CCNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)OC(C)(C)C 1673909346 DJJSLCSXQPNNDP-UHFFFAOYSA-N 439.516 4.514 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)CCCc3cc(-c4cccc(F)c4)n[nH]3)cc2n1 1674577042 WDBFMQVTZJXJNE-UHFFFAOYSA-N 432.503 4.848 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)NCCc2ccc(OC(C)(C)C)cc2)ccc1OC 1679046701 HCDKSHRHZGZUNP-FQEVSTJZSA-N 439.556 4.595 30 10 IJEE C=CCCC1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCCC1 1679121348 DLUJNRMSCIBBNR-LJQANCHMSA-N 435.515 4.609 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2cc(C)ccn2)CC1)c1ccc(C(F)(F)F)cc1 1679305809 RYIGWKDUZMERKK-HXUWFJFHSA-N 432.490 4.948 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682329219 WCKQNVZTJRUUQW-FCHUYYIVSA-N 439.600 4.757 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1 1682361688 LKCUMTWKKQBYAD-MRXNPFEDSA-N 427.220 4.521 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)c1ccc(Cl)cc1F 1682368327 YYYDRTUCKNNHTH-SFHVURJKSA-N 439.687 4.823 30 10 IJEE C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccc(Br)cc1 1683680782 HCDOPZPUWNFCOP-HXUWFJFHSA-N 439.353 4.693 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(Br)cc1 1686919870 NPTHFEWYMLNQMO-FXAWDEMLSA-N 437.341 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C(F)(F)F)cs1 1689839467 HPFFWJVHTYEFHB-JTQLQIEISA-N 443.857 4.719 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1689922075 BGZQKEPUWNQGBE-LJQANCHMSA-N 440.588 4.550 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1cccs1)N1CCCC1 1689953913 DLEFLRTUTIOUNH-LJQANCHMSA-N 425.989 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1sccc1C 1690032467 BVMKTCOGDYBDSU-LJQANCHMSA-N 436.556 4.633 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C1CCC(C)CC1 1690284541 GROAMFMYFQLCPW-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(Cl)s1 1690302467 FSRPJHALUANPQC-UHFFFAOYSA-N 432.977 4.898 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC(C)(C)C1 1690304661 KJEXOESFKTWLCO-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[C@@H]2OC)CC1 1690399281 SBAZSOKYVRBXCB-DSKINZAPSA-N 428.552 4.775 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1690537968 YVHUEWUSBLDCEJ-SQGPQFPESA-N 430.980 4.777 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cc(C(C)(C)C)no1 1690591066 HEUXCJGNPCPSIW-UHFFFAOYSA-N 430.556 4.949 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCC(=C)C)C1 1690689324 BOQSHTPWKZRWAQ-FQEVSTJZSA-N 442.629 4.650 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1690737101 ZVNKLIXTJRPLKW-FQEVSTJZSA-N 446.418 4.757 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)CC1 1693695956 DIUCOMKCHUFXGZ-QPPBQGQZSA-N 434.632 4.810 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1CCCCC1 1694104426 HKQHLGTWTDVEFI-OAQYLSRUSA-N 434.632 4.956 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1=CCCCC1 1705485673 NCAQTVPJRGOBPA-OAHLLOKOSA-N 429.362 4.675 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCCC1 1705516467 CDEGVJNVLYGISN-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1705524765 RWOCAJINLBQGDO-DEOSSOPVSA-N 430.600 4.834 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705577225 WIIXWVRNRBIGRT-LAUBAEHRSA-N 445.394 4.776 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705661195 VEMSXPHRCZQPQT-YYWHXJBOSA-N 429.033 4.904 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CC=CCC1 1705687850 JKVALDWRLBESMN-OAHLLOKOSA-N 437.332 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N1CCC(C)CC1 1705720059 WGHZOGXCOOXGSW-JOCHJYFZSA-N 425.621 4.688 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1705782673 DLOFYAKWJQXALL-HXUWFJFHSA-N 431.575 4.850 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CC)C1 1705791935 INBPXRXZQCZYOJ-FQEVSTJZSA-N 437.636 4.681 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705800066 NLYDTWKUDRBDCP-CRAIPNDOSA-N 442.457 4.681 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@H]1CC 1705801913 VUYIGFQRTGSWAO-PKOBYXMFSA-N 444.649 4.528 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(c2nccs2)CC1 1705813292 BUDOFANQAVSJDK-UHFFFAOYSA-N 439.585 4.769 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)cc1 1705881902 FUXHRIUPXVLUJX-KRWDZBQOSA-N 440.588 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCCC2(F)F)C1 1705918248 FXVXDTIKGGTWHE-QZTJIDSGSA-N 432.515 4.561 30 10 IJEE CCCCN(C)CCn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1709607247 HBQRJDPSODPHKV-UHFFFAOYSA-N 434.632 4.764 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(N(C)C)CCCCC1 1722283703 WKXOGBBANWRJLL-MOPGFXCFSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccnc(SCC)c1 1722292805 OZTVGXHRWQHXOT-QGZVFWFLSA-N 444.564 4.613 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2[C@H]1C 1722325371 IFIDGNVGMGBGCC-MRXNPFEDSA-N 438.373 4.583 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)(COC)CC1 1722456597 YMTQETYXVMQBKJ-UHFFFAOYSA-N 440.657 4.862 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1722520736 HZZZSNDZWFPTRD-HXUWFJFHSA-N 445.405 4.988 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(Br)C1 1722524874 WGFFXUDDGXNUGH-UHFFFAOYSA-N 431.378 4.929 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722530073 LVEZVFNKTCZDIL-BGYRXZFFSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1722592798 ZBWMFDYAVDHAIP-HXUWFJFHSA-N 440.563 4.623 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722601468 XFIHKNCJRXAGQZ-JOCHJYFZSA-N 439.510 4.861 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@H](C2CCC2)C1 1722602055 OQUARKIATHYEIR-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCCSC 1722666773 SPPILDBVCWFSDG-UHFFFAOYSA-N 425.371 4.778 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1722685966 PCPVNLGNGLEHOU-CEXWTWQISA-N 449.665 4.689 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1722737583 LLCBHILGSLOYTE-INIZCTEOSA-N 431.556 4.838 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(Cc2ccccc2)CC1 1740570021 NLCADWYBNMNQAM-UHFFFAOYSA-N 449.002 4.509 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1740664942 JJPAPLLIVRQJJB-UHFFFAOYSA-N 439.604 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1740771875 OEDCPSZFEOSUQJ-DENIHFKCSA-N 438.645 4.831 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1Cc1ccccc1 1740852114 IVWHGVNCEPUGJA-ZRBLBEILSA-N 438.616 4.816 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1740871106 QNEQYEIOBMCWLJ-QZTJIDSGSA-N 444.352 4.944 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCSC2(CCCCC2)C1 1740945326 YZBXQNSXXORULG-UHFFFAOYSA-N 428.602 4.795 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2CCN(CCC)CC2)C1 1740977364 GFVUQKUBUVUIDC-HXUWFJFHSA-N 444.023 4.502 30 10 IJEE CCCC1(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1745311284 DIEDXVQITSSPLC-RBUKOAKNSA-N 444.624 4.569 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@](C)(C#N)C2)cn1 1745813585 HQWWXSBAGOSRRJ-RUZDIDTESA-N 430.556 4.616 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1748756221 XRTPUMSMXOWXDS-GOSISDBHSA-N 426.973 4.655 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1749026820 QPZGHGZSMKUEAR-ROUUACIJSA-N 445.032 4.990 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749118990 LYEFBYCNVOOJRD-ZYKOEDHHSA-N 449.599 4.692 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cccs2)CC1 1749175252 BCEUHKZPUJTBRX-UHFFFAOYSA-N 431.512 4.511 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749256938 GQVBIIOAHWYHDS-QZTJIDSGSA-N 442.947 4.873 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2ccnc2C)CC1 1749328745 BIVICPOEZYAXBQ-GOSISDBHSA-N 438.551 4.555 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1749351842 ARVPQBMLUHJGSB-LEWJYISDSA-N 429.634 4.677 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)c1ccccc1 1749384747 GWTINRRNBRIJDO-DCDYHQBJSA-N 438.616 4.609 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1749433806 WRNHPMYBPLSIJS-QFIPXVFZSA-N 437.613 4.740 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749434644 ZQWHEFLOMBOWNS-QFIPXVFZSA-N 434.588 4.787 30 10 IJEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1749437652 KYTFQXZFYLGVBR-GOSISDBHSA-N 432.515 4.704 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC12CCOCC2 1749498954 OITKIBZQYBUIRP-LJQANCHMSA-N 445.007 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCc1c[nH]nc1C 1749561357 MAKUHPPVKZEWJO-UHFFFAOYSA-N 427.556 4.644 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@H](c1cccs1)N1CCOCC1 1749565231 JAXJRWUIOGMUPA-JOCHJYFZSA-N 449.624 4.567 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCCC2)C1 1749701569 WLPMKAVQMDIDQB-QHCPKHFHSA-N 437.632 4.510 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(C)C)C1 1760273848 FFHLDRMAEVOKLQ-SFHVURJKSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCCC1(F)F 1760298109 WAWUTVNTSKAPPE-HTAPYJJXSA-N 432.490 4.814 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1760300490 GEDGWGJMOBFYFX-SFHVURJKSA-N 437.357 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1 1760312649 BPLWLXIBOYOBGR-ZEQRLZLVSA-N 438.616 4.816 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1760344295 KATKJCALHSKPAQ-UHFFFAOYSA-N 436.604 4.933 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCO[C@H](C)C2)CC1 1760384013 HJHBLQOYLSMVRN-CVEARBPZSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1760401390 IGXSOWCMDLPORW-GOSISDBHSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1760403607 ZQHANUOYAMHYKG-NFBKMPQASA-N 438.616 4.875 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC2CCOCC2)CC1 1760405901 LHUBQGSWCOVNBI-FGZHOGPDSA-N 430.637 4.806 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2c(F)ccc(F)c2C1 1760429111 RMELYGVUFRDPKB-UHFFFAOYSA-N 429.540 4.831 30 10 IJEE C=CCCCCn1c(N2CCN([C@H](C)c3cccc(OC)c3)CC2)nnc1C(C)(C)C 1760430814 UXLLFRCVZNNPGP-HXUWFJFHSA-N 425.621 4.824 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@@H](C)C1 1760486146 DZISSZBIRCQZKU-LJQANCHMSA-N 436.629 4.635 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCOC1CCCCCC1 1760490931 NVFANANDMQEVJG-UHFFFAOYSA-N 448.409 4.954 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 1760567507 DMHKKDMMBGYBEG-UHFFFAOYSA-N 428.646 4.766 30 10 IJEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1769844644 AJWJKZWQJAZQPI-WFXMLNOXSA-N 443.979 4.658 30 10 IJEE O=C1C(=NO)c2cc(Br)ccc2N1CCCOc1ccc(Cl)cc1Cl 1772729088 WKMHRHQVAOMLFR-UHFFFAOYSA-N 444.112 4.750 30 10 IJEE Cc1nc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc(O)c1-c1cccc(Cl)c1 1858554987 LFYFUVQPJNCWJE-UHFFFAOYSA-N 447.926 4.538 30 10 IJEE Cc1ccc2c(=O)cc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)oc2c1 1859750216 QNXBYDDQLUPZAU-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 1860360268 RHDGPUANUIUCMC-UHFFFAOYSA-N 447.969 4.565 30 10 IJEE N#Cc1cccc(C(=O)n2c(=O)oc3cc(-c4csc(Cc5ccccc5)n4)ccc32)c1 1860474733 ZQRBENRPROBAOR-UHFFFAOYSA-N 437.480 4.869 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)COc1ccc(OC)cc1C(C)(C)C 1861623042 DEBSERRFQQAVQC-OAQYLSRUSA-N 434.621 4.743 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2F)cc1 1862395843 ZSGLZNSZNDNARL-OAQYLSRUSA-N 429.463 4.532 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC)cc1OCC 1862423408 BHOJDZJYRMJATR-NRFANRHFSA-N 445.462 4.751 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862442925 VYWGJMZUKKZAHW-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862450457 HPVUFKCXZUJMLN-ZUOKHONESA-N 429.900 4.821 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)c1 1862556385 VNWOELDMBVCZJI-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c(O)c1 1862557742 OVCCAJBETOUTAV-PGRDOPGGSA-N 438.524 4.617 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862672534 CPBIUGMPXFPCMK-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1862675959 XNNUQGVGIUYFEP-HXUWFJFHSA-N 431.891 4.873 30 10 IJEE COc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968479 PJSPHTOIRDGOKE-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863276967 JJIHUUWEOXXSTG-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(C)cc2)C1=O 1863619595 DFLURHNERFOCPL-QFIPXVFZSA-N 426.601 4.984 30 10 IJEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870110103 ZXXWPJPTUUEEJA-UHFFFAOYSA-N 429.867 4.896 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870836142 GGFPMEPHIBSCDP-UHFFFAOYSA-N 448.571 4.652 30 10 IJEE CCN1COc2c(cc3c(c2C)O/C(=C\c2cc(Br)ccc2OC)C3=O)C1 1871355873 KNENISBQUBVUFG-NVMNQCDNSA-N 430.298 4.554 30 10 IJEE Cc1cc(O)c(CN2CCCc3ccccc32)c2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871395603 XWXIUNQRAYSICN-CFRMEGHHSA-N 441.483 4.998 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)c1 1871416232 SJPDWZYRAMCXSI-CFRMEGHHSA-N 446.455 4.686 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C(C)=O)ccc2C1=O 1871441938 RESIBCMXBXHURZ-CFRMEGHHSA-N 443.455 4.532 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC)S(=O)(=O)C1CC1 1871798089 MCUXQGGCTIBBGF-FZKQIMNGSA-N 433.401 4.717 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871825503 SQVLYQQHEANKLH-LJQANCHMSA-N 444.597 4.803 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1871856006 JTIPYYXJKYKTAC-AVRDEDQJSA-N 430.570 4.670 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871857013 HOLSAJYBINSRSX-OAQYLSRUSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872237493 NKWMEYGDKYIACM-HXUWFJFHSA-N 434.989 4.941 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872268865 ZUNDIMVRWLPUCP-CVDCTZTESA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)C(C)C)S(=O)(=O)C1CC1 1872278755 POBPCCADKUAZMH-XMMPIXPASA-N 440.609 4.611 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NCCc3cnc[nH]3)ncnc21 1873620216 ZJIUGVGQEHBTLH-UHFFFAOYSA-N 443.555 4.545 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NCCCN(C)C)ncnc21 1873626749 OZFVBUKUEQGIJE-UHFFFAOYSA-N 447.370 4.540 30 10 IJEE OCCCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874408624 GYBRYEGQWCUVJB-ZVHZXABRSA-N 426.508 4.776 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)cc1 1874445028 QRRVKYNQCAAOKZ-PGLVWIQMSA-N 425.533 4.509 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2[C@H]2CCCO2)cc1 1874447715 KWPRZWCZFCXMEM-JAMLUQCHSA-N 449.580 4.613 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1F)NCc1ccco1 1874576492 PKJOMLIPZNUUDC-XVNBXDOJSA-N 431.822 4.803 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)OCC(C)C)c(OCC)c1 1874589600 ULPOOMBKDZPQHS-SDNWHVSQSA-N 426.509 4.958 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccco2)c(OCC)c1 1874589721 ZVYRXSJFKRXSJM-SDNWHVSQSA-N 449.503 4.668 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 1874638692 NDRLSWJOOUGVOY-UKTHLTGXSA-N 435.907 4.940 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cnc(C)cn1 1874693713 SANFAGKHDFKGDZ-YRNVUSSQSA-N 428.488 4.788 30 10 IJEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1OC 1874707460 GOFJIQLKXIYEIL-RMKNXTFCSA-N 432.428 4.548 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccccc1 1875147806 MJKUYGYWXVDEET-DHZHZOJOSA-N 444.483 4.901 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC(C)=O)c(OC)c2)cc1Cl 1875172890 BVVPEVIQTHBTFF-AATRIKPKSA-N 425.264 4.841 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(Br)c(OC(C)=O)c(OC)c2)cc1C 1875190311 SRDZUCTUILGPOJ-VOTSOKGWSA-N 433.298 4.905 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccc(F)cc3)ncnc2n1Cc1ccco1 1875231810 FGSVQBAHZFKLRE-UHFFFAOYSA-N 445.498 4.638 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)CCC1(F)F 1991564637 MDNZFFMTCBIXMB-HXUWFJFHSA-N 431.524 4.808 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)O1 2018523871 XRWQHESHBJHQBV-VSKRKVRLSA-N 432.605 4.588 30 10 IJEE C#CC[C@H](C[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)C1CC1 2020095667 ZVZXDPCEAQMKLN-JFTIXFDTSA-N 428.617 4.903 30 10 IJEE C[C@H]1CCCc2c1sc1ncnc(NN=C3C(=O)Nc4ccc(Br)cc43)c21 2033812747 GBXYZBXDXZLZKQ-VIFPVBQESA-N 442.342 4.662 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@H]1CCC[C@](C#N)(NC2CC2)C1)Cc1ccccc1 2034740128 UNQUBCULLGACLX-IAPPQJPRSA-N 430.640 4.825 30 10 IJEE Cc1c(Cn2nc(/C=N/O)c(Br)c2C(F)(F)F)cccc1C(F)(F)F 2079230765 SMCBTKHMSIRYOS-RREIPUBJSA-N 430.146 4.848 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C2CC2)c(C=NO)c1I 2079865001 ZOFAEPLMFAGHLV-VIFPVBQESA-N 449.214 4.801 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CNc1cc(Br)c(C#N)cc1F)C(F)(F)F 2105977343 AKHLZMIVJNECSA-SNVBAGLBSA-N 440.235 4.575 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1c(F)cc(Br)cc1F 2114280838 FHTRAGZRBNQMQF-UXHICEINSA-N 426.301 4.512 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Oc2cc(Br)cnc2C#N)C1 2198825922 CTZKZCNINOJIRN-PXNSSMCTSA-N 436.350 4.664 30 10 IJEE CN[C@H](C#Cc1ccc(Cl)cc1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216913871 PDXBCECAJPKJAQ-PKTZIBPZSA-N 442.987 4.780 30 10 IJEE C=C([C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221679418 JDYNVDDRJVYRDI-IAGOWNOFSA-N 427.459 4.646 30 10 IJEE CC1(C)OB(c2ccccc2C(=O)N(Cc2ccccc2)Cc2cccs2)OC1(C)C 2255872507 YJPODIBLYCRTMJ-UHFFFAOYSA-N 433.382 4.890 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccccc3OCc3ccccc3)cc2)OC1(C)C 2267268197 QXHMOKUVIPXWCH-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE CN(CCN(CC(F)(F)F)c1c(Br)cccc1C#N)C(=O)OC(C)(C)C 2269720068 VXEXQXIRVLYXKB-UHFFFAOYSA-N 436.272 4.556 30 10 IJEE C#CCN(C[C@@H](NCCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2272739388 LZHPZDHRYYHJLV-MRXNPFEDSA-N 431.321 4.638 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1sccc1CNC(=O)OC(C)(C)C 2278724657 FTHSAMWHSBAUBB-KRWDZBQOSA-N 435.387 4.848 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)C#Cc1cccc(Br)c1 2278730558 OLYJACPSDCPUOE-KRWDZBQOSA-N 434.355 4.567 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccccc2OCc2ccccc2)n1 2282551195 BMUJHOKVIGHSSF-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Br)c(C#N)c1)C1CCCCC1 2288182840 WREWHJVSTKMLSW-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(N)C#Cc2ccc(Br)cc2)cc1 2296219814 RQWMZJLOXJKWIH-JOCHJYFZSA-N 429.358 4.699 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2cccc(Br)c2)c2ccccc21 2296230220 RBPCUJIZRWESGK-UYAOXDASSA-N 428.326 4.700 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cn1 2296310940 PRGNTKGBLDQBNO-GOSISDBHSA-N 430.346 4.893 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1CCC(=Cc2cc(OC)c(OC)cc2OC)C1=O 2297333907 GGSIOMFUVBGCAD-UHFFFAOYSA-N 440.492 4.568 30 10 IJEE COc1ccc(C=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1OC 2314548778 WMQXSWFQONGRSU-UHFFFAOYSA-N 444.582 4.800 30 10 IJEE CC#CCN(C[C@H](NC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2316097114 CCTUUEJSKZPFJV-AWEZNQCLSA-N 433.749 4.763 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccccc1OC(C)C 2320955959 PBLXRGZTWNYULJ-UHFFFAOYSA-N 437.569 4.549 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OCC(=O)NCc3ccco3)c2)cc1C 2323310697 GGLJTXZXHJUOJU-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE CCOC(=O)Cc1csc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)n1 2323865574 UYWNASNGLDQWIM-UHFFFAOYSA-N 429.929 4.927 30 10 IJEE CCCOc1c(Cl)cc(C=NNc2nc(CC(=O)OCC)cs2)cc1OCC 2323870466 CDJILISDDIRWJR-UHFFFAOYSA-N 425.938 4.536 30 10 IJEE CCOC(=O)[C@H]1CCCN(Cc2c(O)cc(C)c3c2OC(=CC=Cc2ccccc2)C3=O)C1 2324059223 HHIKUFPKFOOQGX-FQEVSTJZSA-N 447.531 4.648 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1cc(OC)ccc1OC)C2=O 2325079428 RJWDDVIXNRBKBF-LJQANCHMSA-N 440.492 4.739 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)o1 2325628199 LMUUUHNYLQLOGH-UHFFFAOYSA-N 439.324 4.838 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1cc(Cl)ccc1O 2326460561 UNHJZWIOYNWOGY-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1ccc(F)cc1F 2326468049 KFSVGRAXDQOLEM-UHFFFAOYSA-N 442.491 4.860 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccccc1[N+](=O)[O-] 2327082356 ADQPKACKARTBKB-UHFFFAOYSA-N 425.514 4.501 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(N(C)C)cc1 2327208461 YSMXBWOWXOABDN-UHFFFAOYSA-N 435.597 4.824 30 10 IJEE CCOc1cc(C=Nn2c(CCc3ccccc3Cl)nnc2SCC)ccc1O 2327946983 FASTWWFXCFJWDW-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(OC)c(O)c2)CC1 2328193992 ORSYEXDAFYHXRA-UHFFFAOYSA-N 446.617 4.813 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(OC)c(O)c1 2328559563 IRQMUCFGWCPORR-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE CCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCC)cc1OC 2329093430 JFLYNHQTUWHNLE-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(OC)c(OC)c(OC)c1 2329560848 CGNPSRAOBBSTGP-UHFFFAOYSA-N 432.933 4.619 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccc(Cl)cc1Cl 2330446993 LWLZPDPJAWURCX-JOCHJYFZSA-N 443.374 4.935 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 2331170416 MOYIDLCSTPIQHR-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1ccc2c(c1)OCO2 2331376885 GJPPDXUMWZCGGI-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2cc(C)ccc2O)o1 2331393770 PJTMBYOWCATGPN-UHFFFAOYSA-N 442.541 4.534 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CC2)c1 2331717223 IKJPMPGAWKGDCQ-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)CCc1ccc(OC)cc1Br 2339380392 MQTUFPBXLVGFPL-ZWKOTPCHSA-N 428.367 4.611 30 10 IJEE C[C@@H]1CC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339580467 CMPLISOKRJSKMB-MJGOQNOKSA-N 444.381 4.893 30 10 IJEE C[C@H]1[C@@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339595958 FUSXTVQVVBRAAE-PKOBYXMFSA-N 444.381 4.751 30 10 IJEE C#CCCCOC(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2363631690 KHBQIKXHSXONAT-UHFFFAOYSA-N 439.350 4.720 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)N 2381191848 NLNOLTPCVGNZJO-UGCQDJOBSA-N 434.378 4.990 30 10 IJEE COc1cc(C2C3=C(CCC(C)(C)C3=O)NC3=C2C(=O)C(C)(C)CC3)cc(OC)c1OC 19808715 PVMOUNWONXUYQR-UHFFFAOYSA-N 439.552 4.686 30 10 IJEE C=CCc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCc1ccccc1F 20236818 XYEJOFXBQQSZFA-JOPZDBJVSA-N 447.466 4.592 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1OC 34955422 SMJSXYNBJLAVHA-RIYZIHGNSA-N 448.471 4.836 30 10 IJEE C=CCn1c(SCCC(=O)NCc2ccc(OC)cc2)nnc1-c1cccc(Cl)c1 59794832 LSTIFHDAMJQMPL-UHFFFAOYSA-N 442.972 4.592 30 10 IJEE CCOc1cccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCc3ccco3)C2=O)c1 105611680 ZADZGGIBBCUXNH-NRFANRHFSA-N 449.532 4.521 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)c1 165757615 BMRMMBHOBJSDOT-FMIVXFBMSA-N 447.487 4.626 30 10 IJEE C=CCc1cc([C@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)cc(OC)c1O 169928717 HHDFOVXKRMWBIG-JOCHJYFZSA-N 436.577 4.927 30 10 IJEE CCN1C(=S)N[C@H](c2ccc(OC)c(Br)c2)C(C(=O)c2ccccc2)=C1C 169932069 OBSAFBRZJKXBJF-LJQANCHMSA-N 445.382 4.866 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2c[nH]c3ccccc23)ccc1F 170077521 MKYCDLTYPKAJMW-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)c1 170155692 VKHKIOCDYVFTQX-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)cc1C 170170002 LMHMTYRURZKRBG-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 170182770 HWWCMXBMIATMAK-QFIPXVFZSA-N 426.428 4.619 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccnc1)c1ccc(Cl)cc1 170191560 MURQFUBWUTYAQZ-IBGZPJMESA-N 426.806 4.796 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccco2)c1 170281247 RIHVDMCZXVICBR-JOCHJYFZSA-N 447.443 4.578 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccco2)cc1 170296452 BMSYZTLHMYJUJI-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(C)o1 170299864 DKHNNRUOXCWIAD-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE N#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1 214844559 UPUHOZJQHUIMOV-XMMPIXPASA-N 426.472 4.551 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(OC)ccc1Br)NCC 407532555 RDQPMVSDDOKWMT-RBUKOAKNSA-N 441.410 4.838 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](C)c1ccc(OCCOC)c(OC)c1)c1ccc(F)c(F)c1 476840482 FMQMJEXDJXYSGV-IVZQSRNASA-N 434.483 4.676 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 508912175 DZPDAUNZRDQFEM-HYFFOGBASA-N 440.494 4.849 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(C(F)(F)F)cc2)o1 526830005 KQENMYRUDPBNBY-RMORIDSASA-N 438.431 4.550 30 10 IJEE N#Cc1cccc(CC(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 531391549 DDTBPRPCRGFHSJ-UHFFFAOYSA-N 426.516 4.502 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 549316839 JYJCTHZNFCMJNW-UHFFFAOYSA-N 445.445 4.540 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2CNCC[C@H]2NC(=O)c2ccc(-n3cccc3)cc2)cc1 585837928 SEGBCQVXFKGYTA-BSRHKBPKSA-N 441.575 4.591 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](Sc2ccccc2)C(C)C)nc1C 731224571 ASNWVVWXPABTOM-OAHLLOKOSA-N 445.639 4.940 30 10 IJEE CC(=NNc1nc(SCC(=O)OCc2ccccc2)n[nH]1)c1ccc2ccccc2c1 1084270914 ZFAGHMLXKQPDAF-UHFFFAOYSA-N 431.521 4.630 30 10 IJEE CN(N=Cc1cccs1)C(=S)Nc1cc(Br)ccc1Br 1088673205 AUWRMNOTWMWJQH-UHFFFAOYSA-N 433.194 4.936 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 1126234068 JNQHPJHNOCMJEI-UHFFFAOYSA-N 431.323 4.631 30 10 IJEE C#CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@@H]3C)cc1 1128130256 XDHMPDPJQKEJFG-HUUCEWRRSA-N 441.549 4.990 30 10 IJEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)c1 1129225816 DOSIMJPKWJYFET-LSDHHAIUSA-N 445.610 4.587 30 10 IJEE C#CC[C@@]1(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1129324144 DAFWVBRBFXCWHW-XXBNENTESA-N 449.016 4.826 30 10 IJEE COC(=O)[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)Cc2ccccc21 1132042447 BGMNSJSKXPULDB-JOCHJYFZSA-N 428.513 4.622 30 10 IJEE C=CC[C@@]1(C(=O)N2CCCN(c3ccccc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1157213746 ZWQVDGSTICSEOA-DEOSSOPVSA-N 448.007 4.725 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)cc2)cc1 1163652583 UZRSPJGGJFPVOP-DEOSSOPVSA-N 439.515 4.904 30 10 IJEE C#CC1(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)CCCC1 1175863541 SRLVOCSTLNIDFB-UHFFFAOYSA-N 438.593 4.814 30 10 IJEE C=CC(C)(C)CC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1181918500 LYBUULCGPRRFRO-IBGZPJMESA-N 428.573 4.998 30 10 IJEE C=CCn1c(SCCOc2ccc(F)cc2Cl)nnc1[C@H]1COc2ccccc2O1 1188282428 CYPPWTWTEBWUHV-LJQANCHMSA-N 447.919 4.940 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1 1227437038 XUNPELYCLFNOBI-NRFANRHFSA-N 431.577 4.524 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1230511672 YHPJKTQBBPPVDW-VVWXKSFDSA-N 449.954 4.632 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(Br)ccc1F)c1ccc(Cl)cc1F 1252478565 DIYUUGGAIBXSIO-KRWDZBQOSA-N 427.676 4.897 30 10 IJEE C=C[C@H](CC(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 1264191994 GOCBZWOBRQENDK-GOSISDBHSA-N 439.508 4.916 30 10 IJEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccccc1C 1286336358 JKWFCNISCBPRKB-OAQYLSRUSA-N 447.608 4.723 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(CCC)CC1 1286440573 DTACNSJYIKHCLH-UHFFFAOYSA-N 434.415 4.833 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286540171 JPGGAAGTQUHTEU-BETUJISGSA-N 443.311 4.644 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC2(C1)OCCO2 1286569452 QGCRDISYUMAFPV-INIZCTEOSA-N 434.943 4.683 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(C)C)CC1 1286682092 CGKYRXYLOPQECE-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1nc(C)c(C)s1 1286748921 FXSDXGUDASOKHP-QGZVFWFLSA-N 429.615 4.548 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1286834180 CCVOUGMDGSSGQG-SFTDATJTSA-N 426.630 4.835 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC2(C)C)c1 1289461714 HQKVOQKBYKEYAK-KOSHJBKYSA-N 425.552 4.777 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C1CCCC1 1300284265 QTVTXZSUPUVRNR-SFHVURJKSA-N 425.646 4.608 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCc2oncc2C1 1300384499 QPENBSPJDWCZNC-QGZVFWFLSA-N 439.947 4.652 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)C(C)C 1300656606 KCWXKSAGPVNRMP-SFHVURJKSA-N 428.646 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1Cc1occc1C 1300789143 ZWHYTCWSLMXMNN-OAQYLSRUSA-N 425.330 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](COC)C1 1300876681 RZCUJYRKHNXUQW-NWSQWKLXSA-N 438.616 4.697 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1c(C)noc1C 1300879731 FHBRANXXQDWJSQ-LAUBAEHRSA-N 441.963 4.821 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCN(C(C)C)CC1 1301177251 WKRYFIRDSXOQMG-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1cc(C(F)(F)F)ccn1 1301299142 CIUWPUBAJFLAAI-UHFFFAOYSA-N 435.881 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccnc1)C(C)C 1301362667 HTIJVHXCWUPUKU-UNMCSNQZSA-N 437.613 4.871 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1Cc1ccc(C(F)(F)F)cc1C 1301394280 MIFLXSSSHDBRQB-UHFFFAOYSA-N 427.474 4.818 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1301405788 KRFIVXTWXMXLHF-LADGPHEKSA-N 445.567 4.706 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(CSC)c2)C1 1301565482 CQZBKEQULUGIKS-QFIPXVFZSA-N 426.630 4.703 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1301608958 BVXQYCGXAZGRQL-JOCHJYFZSA-N 425.646 4.566 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCC[C@H](C)C2)c(C)o1 1304149581 GGFBMSHYTRESMY-VAQYAFAPSA-N 447.583 4.949 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CNC(=O)OC(C)(C)C)C2 1304228034 AHTDXVZFOWRANL-SFHVURJKSA-N 446.613 4.501 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)C1 1305022274 AQWADOIPOBEDEZ-IAGOWNOFSA-N 444.986 4.598 30 10 IJEE C=CCn1c(SC[C@@H]2CC[C@@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307237455 ADQOWPAFASXNSJ-HUBLWGQQSA-N 444.544 4.971 30 10 IJEE Cc1nnc([C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1 1310367412 GJWCHWKIMCQPBW-LLVKDONJSA-N 431.374 4.944 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=N)NOCc1cc(Cl)ccc1OCC#N)c1ccccc1 1321894902 CUKQXALEMAPXQL-IBGZPJMESA-N 444.919 4.507 30 10 IJEE CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1sc2ccc(C#N)cc2c1C 1349909725 CCVAQWMUYCEJJG-UHFFFAOYSA-N 444.516 4.804 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc2cccc(Cl)c2nc1C 1351079572 IHZLOCXMVDMJFV-UHFFFAOYSA-N 425.868 4.940 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 1352239193 VKEHZTYEGCQSQA-QGZVFWFLSA-N 430.545 4.784 30 10 IJEE N#Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)ccc1Cl 1352796903 HGRIRNARODWOMT-UHFFFAOYSA-N 435.896 4.783 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@H](C)C1 1359014484 KVKNSWFRYJFKMV-MSOLQXFVSA-N 433.021 4.889 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)CCCC 1359067065 ZMEFJACUBNHKAU-RUZDIDTESA-N 439.673 5.000 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc(O)c2sccc2n1 1359120325 XULGRFZVPFXQIZ-UHFFFAOYSA-N 426.933 4.521 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1359159372 VAICWEXHKBDEJI-TZIWHRDSSA-N 429.584 4.690 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C 1359266151 VBOVXLGUAGPDDE-UNMCSNQZSA-N 429.653 4.638 30 10 IJEE C=CC[C@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC)c1ccc(Cl)c(Cl)c1 1436027679 MDMHUSILCCFANA-ROUUACIJSA-N 434.385 4.748 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(SCCN3CCCC3)cc2)cc(OC)c1OC 1437323644 WQYOHHWFEURRBT-UHFFFAOYSA-N 426.582 4.873 30 10 IJEE Cc1c(C(=O)N(c2ccc(C#N)cc2)C2CCC2)nnn1Cc1ccc(C(F)(F)F)cc1 1437964156 GWKVGYJFXVZNHU-UHFFFAOYSA-N 439.441 4.725 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 1447360950 LTOUWNBNXKOMEB-PKTZIBPZSA-N 438.568 4.753 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1457716203 ZXUJXAJURILNLD-QMHKHESXSA-N 429.586 4.689 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1460222348 MHEAKRASLTYZDZ-PBHICJAKSA-N 441.534 4.819 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1ccc2c(c1)OC(F)(F)O2 1460780851 JOBGEEJFPKLEMH-UHFFFAOYSA-N 440.240 4.907 30 10 IJEE C#C[C@@H](N[C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1F 1462225114 LYYOOFKDCFAKMD-YLJYHZDGSA-N 436.955 4.692 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1c(F)ccc(I)c1F 1462234911 DWJLZSBPAAELCS-UHFFFAOYSA-N 445.295 4.925 30 10 IJEE C#CCN(C(=O)NCc1cc(OC)ccc1Br)[C@H]1CCCc2ccccc21 1468128775 JXVZOUPBTFGVSI-NRFANRHFSA-N 427.342 4.680 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1470667133 PKQJATVUGFAURO-QZTJIDSGSA-N 428.813 4.595 30 10 IJEE CC[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C(=O)NCc1cccs1 1475950162 CSGSUFIFQAEWBE-FGZHOGPDSA-N 432.549 4.620 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)CCOCC1 1476243682 BBFNQESCAAHISA-UHFFFAOYSA-N 447.333 4.623 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1 1477465400 WCFLREFYQAIVLC-SJKOYZFVSA-N 436.147 4.946 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C 1478806565 HPQNEYFADWCSOX-OTPAQWSUSA-N 427.589 4.653 30 10 IJEE N#CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)CC1 1505320942 APFCCTYNSIWXTM-IBGZPJMESA-N 431.993 4.536 30 10 IJEE C#CCCCn1c(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C 1507599281 NBFHAJYMEGVWAM-AWEZNQCLSA-N 425.524 4.848 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(C)c1 1507706585 ODOWQBRHJBJHQV-HXUWFJFHSA-N 448.636 4.769 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC1CCC1)CC1CC1 1507836324 GUSCGULMBVTDLG-FQEVSTJZSA-N 429.609 4.943 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507870593 KVGPHFIQSWXTEC-PWRODBHTSA-N 445.007 4.626 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](CC)N2CCCC2)CC1 1507881347 TVYDQGLNCGSCHX-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1507889860 ZHITXJHFRRRWEZ-VWLOTQADSA-N 426.605 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1 1507912372 QWLKYHVOYFGDKP-UHFFFAOYSA-N 449.441 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CC)CCOCC1 1508017841 IVMWDSLRHUZFER-UHFFFAOYSA-N 432.572 4.516 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C2CC(C(C)(C)C)C2)C1 1508113694 AEGCSPOFECMIHF-SOAGJPPSSA-N 440.588 4.741 30 10 IJEE CC(C)COc1ccccc1Cn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1509457638 GOEJFUFJAOHTEC-XMMPIXPASA-N 425.552 4.536 30 10 IJEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](SC)C(C)(C)C 1516518489 GKNGGALPZVKDPO-OAQYLSRUSA-N 439.629 4.758 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)[C@H](C)CC)C1 1516904175 BDEUSLDDBNDOBT-JLGINSKQSA-N 441.645 4.726 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3CCCc3ccccc3)CC2=O)cc1Cl 1517443810 ICORMDSYPCVVGA-RTWAWAEBSA-N 435.955 4.578 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3c3cccc(C(F)(F)F)c3)CC2=O)cc1 1518466990 CESSGIKDKFGLDW-RXVVDRJESA-N 441.453 4.684 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)C(F)(F)F)cc1 1521338220 UOOQPKFMQSLOLK-DJJJIMSYSA-N 446.450 4.785 30 10 IJEE C=CCCCCCN(C)C(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1522833374 OOJLMQBFVBRRJJ-UHFFFAOYSA-N 441.019 4.876 30 10 IJEE C=CCc1cc(C(=O)OCc2ncc(Br)cc2Cl)cc(OC)c1OC 1527083020 YFJOGHCPPLUSJX-UHFFFAOYSA-N 426.694 4.600 30 10 IJEE N#Cc1ccc(N(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C2CCC2)cc1 1529861637 BEIXDVWTUGTJST-UHFFFAOYSA-N 430.529 4.731 30 10 IJEE C=C[C@H](CC(=O)N[C@H](C(=O)OCC)c1c(C)nn(Cc2ccccc2)c1C)c1ccccc1 1537020641 CYIIUKFKRCHNRT-GJZUVCINSA-N 445.563 4.629 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539108835 FKSITZGGGXCUPR-QFIPXVFZSA-N 445.405 4.762 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(CC)C[C@@H](C)CC 1539496636 BQAPELUYCBUUME-INIZCTEOSA-N 435.435 4.946 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1539785791 CHXONQURJKNSMK-OAHLLOKOSA-N 449.411 4.691 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1539847454 LVXNOVQZSZSZFE-KNQAVFIVSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC2(CCCCC2)C1 1539930744 BOAJDCGXMJQNMS-PMACEKPBSA-N 448.677 4.861 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](CC(C)C)C1 1539978239 YZRUVOBUSOBUQK-LJQANCHMSA-N 429.996 4.700 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1Cc1c(C)coc1C 1540128168 JKVGAYZWMUECAC-QHCPKHFHSA-N 431.540 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@@H](C)C1 1540147580 TUTRYLVROGGLNW-CTNGQTDRSA-N 429.634 4.506 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCC1 1540154703 BRVOEVXTPAQADT-GOSISDBHSA-N 430.980 4.782 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1occc1C 1540168357 MIQUJSLXXMWBQM-IBGZPJMESA-N 441.576 4.521 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1540180288 MDMFLMKNUKTHGW-QHCPKHFHSA-N 432.616 4.794 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)c2nccs2)C1 1540886232 YLEHYLMPXKMQIB-QAPCUYQASA-N 429.977 4.640 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccccc2Cl)n1 1545688641 GGVOOTGKRZNCFM-CQSZACIVSA-N 425.316 4.500 30 10 IJEE CS[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C#N)CC1)C(C)(C)C 1555854376 AQFRFLLITGOSJN-OAQYLSRUSA-N 436.629 4.868 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 1556907352 NKDTYKLQIDVNMG-DHIUTWEWSA-N 447.922 4.723 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NCC(=O)c2c(F)cccc2F)cc1Cl 1557116433 FVTRTEBBMNPDJB-UHFFFAOYSA-N 426.806 4.895 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C/C(C)=C\c2ccccc2)cc1 1559747371 ABXOVFFPXALEQP-CYVLTUHYSA-N 442.563 4.948 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(Cc3ccc(O)c(Cl)c3)CC2)cc1OC 1560975358 YBYIDGACTUBMAB-UHFFFAOYSA-N 437.367 4.590 30 10 IJEE N#Cc1ccc(NC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1Br 1562779022 GGXKBUIUMKGPNE-IBGZPJMESA-N 426.314 4.706 30 10 IJEE C#C[C@H](NC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(Cl)cc1F 1563015106 DLHJNRVCLRXLQU-IBGZPJMESA-N 426.854 4.789 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1563953173 HVRCOLQSDNAODC-JOCHJYFZSA-N 441.513 4.992 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc1OC 1565986135 ROICHTTZBQPGNZ-HXUWFJFHSA-N 425.525 4.592 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OCCOC)cc1Cl 1583506513 RMQKYGLFSFQEEL-UHFFFAOYSA-N 440.721 4.945 30 10 IJEE C#C[C@H](NC(=O)Cc1sc(SCC(C)C)nc1C)c1ccc(Br)cc1 1584707550 ACTPMCMYWLNEGH-INIZCTEOSA-N 437.428 4.995 30 10 IJEE C=CCCC[C@H](C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccccc1 1587240804 GBLZIPVAMSIWBF-FQEVSTJZSA-N 439.499 4.865 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(C#N)CC1 1587807726 IMXXTCIPWDSWOZ-SFHVURJKSA-N 425.964 4.842 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ncc(CC)s1 1587808196 NUNFFUNWZOCHHA-INIZCTEOSA-N 427.549 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CC(F)(F)C1 1588198452 UBXPYRJWQZAZNM-UHFFFAOYSA-N 447.327 4.524 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1594070620 ISJHTXACGASJJR-UHFFFAOYSA-N 433.556 4.731 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN(CC)CC)CC1 1594209106 SFJUCQCSFFATEW-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C(C)C)C1 1594497674 LTYPNGRLKKBESU-SFTDATJTSA-N 442.629 4.971 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1594546264 XQKRZISSRDWURO-KIZRIRGWSA-N 426.630 4.862 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC(=O)N(C)C)CC1 1594582357 OUHBKKSJNMJULM-UHFFFAOYSA-N 435.572 4.742 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@@H]1C 1594788468 NBJBGHKSMPFKFW-CABCVRRESA-N 437.357 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(F)cc2C(F)(F)F)C1 1595722784 NDXDWSUCLZJRJS-GOSISDBHSA-N 438.469 4.923 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 1597567554 RLGJVYFXKPTYNW-FQEVSTJZSA-N 447.556 4.593 30 10 IJEE C#CCOc1ccccc1CNCCOc1c(Cl)cc(Br)cc1Cl 1620886425 IZNYOJOSWTUVET-UHFFFAOYSA-N 429.141 4.937 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 1623826498 PGCOCTSDUXOQAG-UHFFFAOYSA-N 431.439 4.997 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1OC 1624022725 IPVIWLNYYHBWDD-VBKZILBWSA-N 434.330 4.529 30 10 IJEE C=CCc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc(OC)c1OC 1624446143 ZNIPRKOLEWANAL-FQEVSTJZSA-N 446.950 4.792 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 1625150490 PKDKFMGNAUZLPG-IBGZPJMESA-N 435.528 4.584 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C 1626170067 BSCZERJUPLTAOL-UHFFFAOYSA-N 442.313 4.973 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1626487855 YJTDIASRCAKZLF-NRFANRHFSA-N 426.532 4.866 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1629242771 ONGWTDDAXNRBMK-KNQAVFIVSA-N 426.582 4.969 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1635801978 KAIJGJFZHYKBPF-VWLOTQADSA-N 428.532 4.858 30 10 IJEE C#C[C@@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1639229273 BYNNIJNBZGQGIA-CJAUYULYSA-N 430.548 4.612 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)ccc2OC)nc2sc3c(c2c1=O)CCCC3 1640693412 YCCVNVZDPFFLKC-UHFFFAOYSA-N 440.590 4.815 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1640968978 VHPHTPRKMQBPHJ-DEOSSOPVSA-N 426.582 4.561 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CCC[C@]2(CCOC2)O1 1643491153 LWUYWXATVHJECB-GHTZIAJQSA-N 435.977 4.517 30 10 IJEE CC[C@@H](C)[C@H](NCc1cc(C#N)ccc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 1645099638 BQXGBSVQEQYCPQ-IBVKSMDESA-N 433.596 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1653193712 VAPMYYBQUDGFLW-HXUWFJFHSA-N 432.564 4.892 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN(CCC(F)(F)F)CC(F)(F)F 1654344478 DRGTXFZAWRZXLQ-LBPRGKRZSA-N 427.414 4.694 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br 1655995895 SVUSDVIASRZRAH-RISCZKNCSA-N 437.197 4.625 30 10 IJEE C#CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[C@@H](C)C3 1656100451 FERGNRJRSIQULY-CQSZACIVSA-N 445.009 4.967 30 10 IJEE C=CCn1c(SC2CCN(C(C)=O)CC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1656187425 YCSXATBIKWOAIQ-UHFFFAOYSA-N 439.606 4.722 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1cn(-c2cccc(Br)c2)nc1C 1659188166 YKXOXYMQMNMRAV-UHFFFAOYSA-N 430.346 4.607 30 10 IJEE CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNS(=O)(=O)N(C)CCC#N)CCC[C@@]21C 1660114514 GJODQLWJWKXVLI-SMIHKQSGSA-N 431.646 4.500 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H]1CCN(c2ccc(Cl)cc2)C1 1661200339 SZKULLZVSWUFAB-MRXNPFEDSA-N 433.777 4.731 30 10 IJEE COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)CC1(C#N)CCCCC1 1661705197 GRSJMVPJKCNUBB-INIZCTEOSA-N 432.508 4.519 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(OC)c(OC)cc1F)c1ccc(C(F)(F)F)cc1 1662379450 WIJGPIQAVPRZPO-INIZCTEOSA-N 447.450 4.848 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1667740663 SRTWBJACZIFWBJ-IBGZPJMESA-N 443.569 4.767 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(F)c(F)c1 1671852444 YOSGXMHAAADIEY-RTBURBONSA-N 435.515 4.813 30 10 IJEE Cc1cc(NC(=O)N(Cc2cccc(Br)c2)C2CC2)c(C#N)cc1N(C)C 1672555030 CUERSMDQOJIBGE-UHFFFAOYSA-N 427.346 4.892 30 10 IJEE COc1cc(NC(=O)NCCc2cc(Br)ccc2SC)c(F)cc1C#N 1673295767 DNKMWFJURICGLI-UHFFFAOYSA-N 438.322 4.555 30 10 IJEE C#Cc1cccc(CNC(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)c1 1673636134 BURLVEFXPLWBHM-UHFFFAOYSA-N 425.410 4.873 30 10 IJEE CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F 1674197135 AUTVOHOUZRWUEC-HXUWFJFHSA-N 428.483 4.582 30 10 IJEE C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 1675797626 CEEMXIRBTBKPLF-SFTDATJTSA-N 430.596 4.910 30 10 IJEE CC(C)Cc1ccc([C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C2CC2)cc1 1678191546 GNWFQMLDLFPERM-FTJBHMTQSA-N 430.596 4.756 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1)c1ccc(Cl)cc1F 1680396616 IYLMQEAQBANFSP-WIYYLYMNSA-N 430.907 4.519 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Nc3cc(C)n(CCCOc4ccc(F)cc4)n3)cc21 1680802093 DGOJLMDACWWFRE-UHFFFAOYSA-N 448.502 4.979 30 10 IJEE C#CCN(C)CCCNC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C 1682963493 HUAJUDFMKLZXOV-WIYYLYMNSA-N 448.998 4.995 30 10 IJEE C=CCCC1(CNC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CCCC1 1683984786 JUQJSGANLVCVNP-OALUTQOASA-N 443.554 4.878 30 10 IJEE C#CCN(C(=O)NCC[C@H]1CC1(Cl)Cl)[C@@H]1CCOc2ccc(Br)cc21 1684256752 KSSHTWKMMIZLJA-SWLSCSKDSA-N 446.172 4.501 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](OCCC)CC1 1689878501 KXXIIICMHWMQCL-JOCHJYFZSA-N 446.599 4.924 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCc1cc(C(F)(F)F)ccn1 1689976688 USXGRMUABWIUSA-UHFFFAOYSA-N 445.514 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCC[C@@H]1C 1690198382 MFSOLPQQDMVTPU-KSFYIVLOSA-N 432.399 4.728 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1690333139 XQMYQVOREPTKPA-LJQANCHMSA-N 428.920 4.958 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1690374596 WRCFTHHXVVEYKH-IBGZPJMESA-N 446.979 4.589 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCCCN2CCC(C)CC2)CC1 1690380297 JIEMEDKUBCCDOD-UHFFFAOYSA-N 437.632 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690422415 OBYBLDZAGOMBOC-IBGZPJMESA-N 445.995 4.916 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1690449733 PHQGDFJKSMYXHR-OAQYLSRUSA-N 448.615 4.868 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1690464882 MLXWYKOKPOYZJF-OAQYLSRUSA-N 440.542 4.751 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 1690465265 WESIQLYVDGRAGV-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1690517043 XWZGMVILFJVCPL-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)C 1690565902 WYBNTJQCOXOLKM-UHFFFAOYSA-N 445.615 4.691 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1697149066 GJQXXPKSGJNHFM-QNIAMRLHSA-N 437.588 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCSC(F)(F)F 1705478319 ZPKBJBJZTZMUAT-QWHCGFSZSA-N 432.899 4.782 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1(C(C)C)CC1 1705591907 ZPDXWGRECIFVLD-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1705609342 ZELPDMZGCFXCOF-FQEVSTJZSA-N 449.599 4.503 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H](c1cccs1)N1CCCC1 1705614919 ALNDKBXQFJIJGK-QFIPXVFZSA-N 433.625 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)c(C)c1 1705696302 MUDJMLSPFUXCOE-OFNKIYASSA-N 436.556 4.781 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1705722164 XTQOZJXREFIDJC-INIZCTEOSA-N 449.958 4.807 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1705757174 BUQKRPSQSWEUKE-JOCHJYFZSA-N 429.008 4.991 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705801280 ZRVVUMTUERSIDR-IBVKSMDESA-N 438.616 4.983 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CC[C@@H](CN3CCCCC3)C2)cc1 1705910049 PSBDMPZQJDTDFX-GGAORHGYSA-N 437.632 4.717 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(CC=C)C1CC1 1705940492 GRPCOEWOKVTNFX-UHFFFAOYSA-N 437.382 4.921 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1705941917 AUXJYEOSWPNISX-UHFFFAOYSA-N 435.519 4.905 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2Cc2noc3c2CCCC3)c1C 1706972593 AFMFMSWBLXIROH-MJGOQNOKSA-N 448.571 4.688 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CC1C[C@H](C)O[C@@H](C)C1 1712014581 CJFLEBMOGKMOJT-SQNIBIBYSA-N 443.617 4.521 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1csc(C)n1 1722276784 JALMMBSUYIEGJH-GJZGRUSLSA-N 429.977 4.537 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](CCOC)C1 1722310143 HXOAYKFTFZHCJR-OALUTQOASA-N 426.630 4.798 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCCCC1 1722415893 IAZCDADETKLBHV-UHFFFAOYSA-N 437.632 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCOC1 1722502819 QUCNWJAGGBLOSH-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](c2ccco2)C1 1722523405 RXCMBAYSGXBRHF-LJQANCHMSA-N 441.576 4.556 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1722529229 XFIHHFKKNDHUKM-SFHVURJKSA-N 441.601 4.842 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCCC2(C)C)CC1 1722563935 CRPPYDCSXDGFMR-UUOWRZLLSA-N 428.552 4.655 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1722613987 XMIVOXLYMBMHFD-XUZZJYLKSA-N 430.600 4.796 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1722669530 VGKCLTUDWHCWJS-UPVQGACJSA-N 429.568 4.995 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CCC2CCOCC2)cc1 1722706722 XINSRKLRWNRDMY-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCc1cccs1 1722707552 SBKPHTKEZGZULM-HXUWFJFHSA-N 438.597 4.526 30 10 IJEE Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(C)C)cs2)s1 1725565351 HOJBWNSSILMUEW-UHFFFAOYSA-N 449.609 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)Cc1ccccc1 1740538736 JTWMLINJGYGTLQ-HXUWFJFHSA-N 447.652 4.865 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cccc(F)c1 1740582435 OJSHYUCCGJWHNF-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](c2ccco2)C1 1740778841 UOJCNNUXCXIDAN-OAHLLOKOSA-N 443.345 4.879 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1740781615 QPVCHOOSZAMVPB-XUVXKRRUSA-N 431.625 4.984 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1740852149 JJPZWZQAOFTNCS-HSZRJFAPSA-N 437.632 4.833 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1740856045 OJMAFYRHKXFFAZ-ULQDDVLXSA-N 427.515 4.705 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@H](C)C1 1740876054 NHUGWHJEEIYYMU-SLFFLAALSA-N 431.625 4.841 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740876056 NHUGWHJEEIYYMU-ZCNNSNEGSA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1Cc1occc1C)C1CC1 1740906632 JLKQXIMHFRWCQU-UHFFFAOYSA-N 431.309 4.951 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1Cc1ccc(OC2CCCC2)nc1 1740915641 NMJUZDYZGPBQKY-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1740948306 MDVLQRBEFDWNBL-GOSISDBHSA-N 448.905 4.958 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1coc(-c2cccs2)n1 1741801291 AIHHDQQSMFGANN-OAHLLOKOSA-N 436.516 4.511 30 10 IJEE Cc1n[nH]cc1CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1742049223 BNNVXRWUFOMQRE-UHFFFAOYSA-N 444.370 4.656 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1748734504 FKLIXMRNKNMGII-HNAYVOBHSA-N 429.362 4.508 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccco1 1748751144 TYOPLYXZXGIRHC-OALUTQOASA-N 441.576 4.596 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1COCCC 1749060546 UBXPKFNPZMRFCN-RUZDIDTESA-N 449.986 4.961 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cc(F)cc(F)c2)CC1 1749317598 UHSAAGUKTPJPFX-NHCUHLMSSA-N 430.543 4.874 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCCOC1 1749391023 OEAUBAOSMDWAQZ-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(F)(F)F)C1 1749703582 KRSYJEBZWQQYKY-LJQANCHMSA-N 438.494 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cc(C(CC)CC)no1 1760106244 AXVSZPXJZXCMTC-KRWDZBQOSA-N 428.540 4.891 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Cc1ccc(OC)cc1 1760125001 NIQGATWIRWIRLZ-DAVBRLECSA-N 438.616 4.542 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN(C)c1ccccc1 1760173240 OTABMCNOMDXHQN-LJQANCHMSA-N 433.625 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N(C)c1ccccc1 1760299435 UVGWAZUDXKUUTB-PGTSUSQTSA-N 449.643 4.714 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 1760305342 BASHWLJFKDHLOP-INIZCTEOSA-N 444.377 4.586 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](C(C)C)C1)c1ccccc1 1760364079 FSNGLGZYHWMINA-NRFANRHFSA-N 439.654 4.925 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1760418788 YCCUEICIAITFGO-QFIPXVFZSA-N 430.600 4.667 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(CC(F)(F)F)C1 1760492330 OWGXSELZHAFEPA-INIZCTEOSA-N 439.913 4.661 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc2c(s1)CCCC2 1763841035 DRWZEZVUZQZRQQ-QGZVFWFLSA-N 434.613 4.877 30 10 IJEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1)OC 1763865617 IENFFTIJGWBIOK-IRLDBZIGSA-N 449.555 4.713 30 10 IJEE CCOC1(Cn2c([C@H](CC)c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1767497872 HPWGFRWNVDQUQA-OFNKIYASSA-N 425.552 4.611 30 10 IJEE CO[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(F)cc1 1769674085 FTLCJAGBMOUYET-URXFXBBRSA-N 425.552 4.668 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)CC 1772516231 HAGDGJVDRDPMQT-UHFFFAOYSA-N 443.389 4.519 30 10 IJEE CC[C@H](C)c1ccccc1NC(=O)C(=O)/C=C/c1ccc(OCC(=O)N(CC)CC)cc1 1860724350 HCQIKVCGPHDPER-FLXZHSAZSA-N 436.552 4.668 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862479335 DXQBLKBFRIONSA-QHCPKHFHSA-N 433.504 4.677 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 1862490024 MCNOFAWHDNPRFV-HSZRJFAPSA-N 437.536 4.794 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2c(F)cccc2Cl)c1 1862494095 FMVHDLBPXIDXET-YCRPNKLZSA-N 443.902 4.853 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862619670 AIAXBPNSNVLDLN-JOCHJYFZSA-N 435.564 4.852 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2Cl)cc1 1862661537 RFIGLCQIJHVDPB-QFIPXVFZSA-N 440.971 4.993 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)cc1 1862673819 OVZLNBZZWVAUOL-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2Cl)c1 1862700083 ALVZDBTVNVSYQF-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1862751912 SSXIMOWBANCVBN-LJQANCHMSA-N 426.856 4.769 30 10 IJEE COc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1 1863083929 YAJWPXGJUITGIF-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCNC1=C(c2ccc(OCC)cc2)C(=O)N([C@H](C)c2ccc3c(c2)CCCC3)C1=O 1863579364 WWTUZNYDZJKEIT-GOSISDBHSA-N 430.548 4.581 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2cccs2)C1=O 1863589086 MIFMHJFMQIKVKA-UHFFFAOYSA-N 441.553 4.887 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1sccc1C 1864502149 JEUUGMXTJWYBPV-LJQANCHMSA-N 444.645 4.914 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](NC(=O)c2c(F)cccc2Cl)c2ccccc2)cc1 1867931601 RHBRPYAJDZVAEK-UNMCSNQZSA-N 435.886 4.640 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868377819 BSDUXQOQGGWBLV-GOSISDBHSA-N 432.597 4.989 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCC(C)(C)c1ccc(C)cc1 1868731159 ASFSBQQVKGAMQT-VWLOTQADSA-N 432.608 4.981 30 10 IJEE CC(=O)Oc1cccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c1 1870136879 OJESUVBIJPXRKK-UHFFFAOYSA-N 431.496 4.563 30 10 IJEE CCCCCOc1cn(CCOC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870187955 NWHZCDOQDSNEHM-UHFFFAOYSA-N 429.586 4.548 30 10 IJEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CSc1nnnn1C 1870260131 ASGRTPAUFKQIBY-UHFFFAOYSA-N 435.638 4.840 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870346709 ZTECDPJSIAQKLL-HOTGVXAUSA-N 437.367 4.529 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc3ccccc3c2)c(=O)cc1CN(CC)CCCC 1870396000 XZZWKNMNUYJIIP-UHFFFAOYSA-N 447.579 4.827 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(CC)cc1 1870884615 IYUYYDJVPYLDLO-UHFFFAOYSA-N 434.536 4.675 30 10 IJEE C#CCOc1cn(Cc2ccncc2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871007290 UTIOJGMXZLFTSI-UHFFFAOYSA-N 435.527 4.891 30 10 IJEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871396114 ORXHSMXVUSEXNR-XKZIYDEJSA-N 444.443 4.624 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1 1872320740 PRGWUABDARPYDO-JOCHJYFZSA-N 448.560 4.599 30 10 IJEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1O 1874209678 QFXGSUHUDLVIJW-FYJGNVAPSA-N 431.359 4.721 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874213074 UGDOYSBHPSZVDM-OEAKJJBVSA-N 444.944 4.636 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cc(Br)ccc1F 1874326218 DRFHWYJWGSMIMQ-LSHDLFTRSA-N 449.349 4.980 30 10 IJEE Cc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)c1 1874415427 PLTGFSHLCYFGSF-YZSQISJMSA-N 441.560 4.790 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1/N=C/c1cccc2ccccc12 1874431910 DXSHAWPZXNCMDI-VULFUBBASA-N 429.549 4.550 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874435173 QVLPBFSHXQMTMW-BRJLIKDPSA-N 441.988 4.866 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)cc1 1874452820 OTGYQRUHUVOEQJ-MFKUBSTISA-N 449.580 4.866 30 10 IJEE Cc1ccccc1/C=N/n1c(SCc2nc(O)c3ccccc3n2)nnc1C(C)(C)C 1874485269 MHWMEVRGCITKSK-ZMOGYAJESA-N 432.553 4.707 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)C)cc1 1874515456 YFPAHICKBRMGPN-ZMOGYAJESA-N 448.552 4.624 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2C2CCC2)ccc1OCc1ccc(Cl)cc1 1874559312 KAYKAIUQYGCXDD-FSJBWODESA-N 428.945 4.958 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)ccc1OCC(=O)NCc1ccccc1 1874605648 YGXUIULLONLYMO-WYMLVPIESA-N 445.515 4.685 30 10 IJEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)ccc1F 1874618513 FWUQRVNPOSGDOG-YRNVUSSQSA-N 448.450 4.634 30 10 IJEE COCCOCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1 1874712577 HSRHNNLUHVWKQF-XNTDXEJSSA-N 432.472 4.943 30 10 IJEE N#CC1(c2ccc(C(=O)N3CCC[C@@H](COc4ccnc(C(F)(F)F)c4)C3)cc2)CC1 1890958606 WICAPBBWFASZOW-MRXNPFEDSA-N 429.442 4.587 30 10 IJEE CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccccc2F)C1 1891125479 UHWHAOPZJBEITO-KRWDZBQOSA-N 434.355 4.992 30 10 IJEE O=C(NCc1nnc(C(F)(F)F)n1-c1ccccc1)Nc1cc(F)cc(C(F)(F)F)c1 1891235781 XNCWACRFDWFGPJ-UHFFFAOYSA-N 447.314 4.766 30 10 IJEE O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCC#CCN1CCc2ccccc2C1 1891631821 KPGZZYUWPZUHIX-UHFFFAOYSA-N 442.534 4.729 30 10 IJEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)on3)C2)c1 1891755448 OIBKOUCUFBCODO-JOCHJYFZSA-N 436.471 4.569 30 10 IJEE C=CCC1(NCc2ccc(O)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 1924542872 PFWMYKGWTQBJMI-UHFFFAOYSA-N 425.367 4.590 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(C#N)C1 1965262269 HSZTXJZROAAXMP-FPWIQGANSA-N 445.563 4.702 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CCN1C(=O)OC(C)(C)C 1999878520 DSALCWCHRQMZAY-MBSDFSHPSA-N 431.533 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](Cc1nccs1)NC(=O)OC(C)(C)C 2004746885 FMEGYFRSWNRAAV-RBBKRZOGSA-N 445.629 4.720 30 10 IJEE CCCC#CC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2024369705 IMBVXEXYHPXJOV-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CN(Cc2ccccc2)C2(CCC2)C1 2037922290 HJFNVXPKZQIREA-XCZPVHLTSA-N 434.624 4.687 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2060625787 OENDYTYQDNCDKE-MRXNPFEDSA-N 430.354 4.732 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)COCCN2C(=O)OC(C)(C)C)c1 2081188774 WKJJZRGMBRYKHG-NTKDMRAZSA-N 445.560 4.655 30 10 IJEE O=C(NCCC/C(=N/O)c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2087883805 CFKGEYHCAGFPQQ-MOHJPFBDSA-N 427.844 4.897 30 10 IJEE FC(F)(F)[C@H]1CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2093948419 HFBKJTBQVXCBFO-ZCFIWIBFSA-N 441.043 4.853 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1c1cc(Br)cc(F)c1C#N 2133667770 XZOUXSBYYKAJKX-LBPRGKRZSA-N 426.330 4.684 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CNc1cc(Br)cc(F)c1C#N)C1CCC1 2137702000 PNQSRHNNSUYEDO-LJQANCHMSA-N 426.330 4.955 30 10 IJEE Cc1ccc(CN(C)[C@H]2CN(Cc3ccccc3)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2154840813 UOHWTVQCBYADTH-XMMPIXPASA-N 448.460 4.779 30 10 IJEE FC(F)(F)C[C@@H]1CNC(=NCc2cc(Br)ccc2Br)S1 2175696135 YGCDXOFKMOBDJK-SECBINFHSA-N 432.103 4.725 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2cc(Br)ccc2C#N)c1 2181146011 CZPJAGIBQKDMTP-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Nc1cc(Br)cc(F)c1C#N)C2 2193309689 LTMBOEWYBBYDKX-SPOWBLRKSA-N 442.304 4.750 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2221560651 JIKPLFJRCJWJRK-QFIPXVFZSA-N 448.568 4.997 30 10 IJEE CC[C@@H](CCCC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 2223256887 OWANJRDHRISLLF-SFHVURJKSA-N 438.418 4.545 30 10 IJEE CCC[C@]1(C)CSC(=Nc2ccc(Br)cc2I)N1 2223668814 BPRFHOJASKJPQL-CYBMUJFWSA-N 439.160 4.936 30 10 IJEE CCc1ccc(C#C[C@@H](O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2231185900 LTNKGVIVNYQJOE-RUZDIDTESA-N 448.607 4.521 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C1(C)CC(NC(=O)OC(C)(C)C)C1 2235721348 DHLNFLVVBBDMPZ-OZWAEMERSA-N 435.406 4.862 30 10 IJEE C#CC[C@H](C)C[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428209 JYKWJJMOIKUOPG-DBVUQKKJSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2c(Br)cccc2C#N)C1 2241650282 KTUVPJIEADMRFR-UHFFFAOYSA-N 442.357 4.947 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2255618965 LPGAGTSVIRAURO-UHFFFAOYSA-N 430.354 4.522 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c1 2255821011 XNUYHELARAAONO-HNNXBMFYSA-N 430.354 4.837 30 10 IJEE CC1(C)OB(c2cnc(Oc3ccc(Br)c(Cl)c3)c(F)c2)OC1(C)C 2269021925 NJKUWCSJNDMINO-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2cccc(Br)c2)cs1 2278732068 FFLXRAPRWWSYSD-MLGOLLRUSA-N 437.359 4.576 30 10 IJEE CN(c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)[C@@H]1CC[C@@H]1OCc1ccccc1 2285380437 HVEBJNZNVQPCRU-RPBOFIJWSA-N 444.384 4.718 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](N)C2 2285828585 JXVRYZMOJWKBSD-ICYRRTCNSA-N 434.378 4.990 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2289691794 FJMZPTJAWNSUMJ-UXHICEINSA-N 435.406 4.667 30 10 IJEE NCCO[C@]1(C#Cc2ccccc2Br)CCCC[C@H]1OCc1ccccc1 2293867960 NJRBKJQBJZCTRF-PKTZIBPZSA-N 428.370 4.674 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(O)C#Cc1ccc(Br)cc1 2296271563 FYFSLIIUHBACSR-BMUJQCINSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@H](O)C#Cc3ccc(Br)cc3)(CC1)CC2 2296281438 LBMFYAIDSUNEQV-OSFYOIPJSA-N 434.374 4.779 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@H](N)C#Cc3ccc(Br)cc3)cc2C1 2296309842 BILXRCISNJURLB-HXUWFJFHSA-N 427.342 4.751 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)c1 2314474751 LRRYBTBSJXSWSN-QFIPXVFZSA-N 444.512 4.890 30 10 IJEE Cc1cc(CSC[C@H]2CCCN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320591327 XKJIEUVVKDETTF-HXUWFJFHSA-N 447.450 4.927 30 10 IJEE CCCCN1COc2ccc3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322038457 JFQOFKYAVVUKEA-UHFFFAOYSA-N 427.884 4.775 30 10 IJEE O=C(C=Cc1ccccc1OCc1nc(O)c2ccccc2n1)c1cccc([N+](=O)[O-])c1 2322307755 BOXAWLXWNRKXEF-UHFFFAOYSA-N 427.416 4.719 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CN(CCc1cccs1)CO2 2322416618 HUNZAKYYOSFSBQ-UHFFFAOYSA-N 448.500 4.976 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c1OC 2322791947 AREZVVYZCBABET-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCCOC(=O)COc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC 2323261846 RACANRBHVRWDDY-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccco2)cc1 2324693827 FRTHBLNUTPOVIY-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)NCc1ccccc1Cl 2325632686 RKKHDBUVVPMADS-UHFFFAOYSA-N 425.893 4.713 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)c(OC)c1 2325714963 HKUABFGCNNPOFX-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2326513043 IHZHXBKULRLAFN-UHFFFAOYSA-N 431.905 4.721 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(C(=O)O)cc1 2328567157 XWBGZJBPJNGFTB-UHFFFAOYSA-N 436.537 4.516 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2[C@@H](C)c2ccccc2)cc(Br)c1O 2330047968 LNFSANRJLZFUIZ-LBPRGKRZSA-N 447.358 4.511 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1 2330970246 PHUQQTKXLONEOD-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)cc1 2331403770 DXQYGGMYORHBJB-UHFFFAOYSA-N 436.025 4.852 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccccc1F 2331405087 PLQBDBBGDDGAIG-UHFFFAOYSA-N 448.446 4.650 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(=O)OC)cc1 2331666362 FPASDEKVZOUMQV-UHFFFAOYSA-N 446.935 4.984 30 10 IJEE CC(C)(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCC3)cc2)cc1 2332189044 YCNIBAZPORNKCQ-UHFFFAOYSA-N 440.551 4.689 30 10 IJEE CCN[C@H](C#C[C@H]1CC1(C)C)c1cc(Br)ccc1I 2339573219 UFWDSGRFWCODMG-XHDPSFHLSA-N 432.143 4.754 30 10 IJEE Cc1cc(CNC[C@@H]2CCN(Cc3ccccc3)C2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369687271 JFHGCTZRGCBRMC-DEOSSOPVSA-N 448.460 4.685 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)c1 33404927 UXVFPFJJNNCMSN-HSZRJFAPSA-N 428.488 4.649 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)c3oc4cc(C)c(C)cc4c3C)c(C)c(C#N)c2=O)cc1 38624452 OUOWDFRRZGXLLO-UHFFFAOYSA-N 440.499 4.993 30 10 IJEE CCOc1cccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)c1 54644197 ZVMDZXRDMLBBPJ-JOCHJYFZSA-N 432.549 4.991 30 10 IJEE CCOC(=O)c1sc(/N=C/c2cc(Br)c(OC)cc2OC)c(C#N)c1C 59466468 KHFDIGIVEUOTTK-ZVBGSRNCSA-N 437.315 4.635 30 10 IJEE COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/C=C\c2ccccc2)C3=O)cc1 102729991 QSNYIWOZCYUZHQ-XUUSRBPNSA-N 434.469 4.635 30 10 IJEE CCCOc1ccc([C@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 103226078 KPMMIGRMHRKJBV-AGGMBTAESA-N 434.517 4.554 30 10 IJEE N#C[C@@H](C(=O)c1csc(I)c1)c1ccccc1Br 124141177 DEBVZUQXHCGIQQ-SNVBAGLBSA-N 432.080 4.605 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)s1 169961516 GMYMFMRZSCQBPC-SFHVURJKSA-N 440.908 4.902 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccnc2)c1 170000724 BWCMEDHKUHRSOG-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccnc2)cc1 170002711 WGGANESMEYIKHU-JOCHJYFZSA-N 443.459 4.896 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170178783 ZJJQBZMLMGMLAE-OAQYLSRUSA-N 445.862 4.655 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccn2)ccc1Cl 170179174 DHOPJODDVWCBDV-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)ccc1Cl 170224495 QQCOZJZLZLQOOS-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccc2)cc1 170228578 MOUGUTFNPFPZHY-DEOSSOPVSA-N 436.467 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)cc1C 170234716 MLDROBHYBDKYLB-JOCHJYFZSA-N 439.471 4.663 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)cc1Cl 170274735 FNTLNEHLIUBSLY-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)cc1 170282023 VQVNSHMGJSFSGT-HXUWFJFHSA-N 425.387 4.739 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303134 BEBIGGXSXOZFQO-LJQANCHMSA-N 438.823 4.933 30 10 IJEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)cc1 170373755 SULOXAZHYNVDGJ-NRFANRHFSA-N 431.444 4.629 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(O)c2)cc1Cl 170385560 IAZICMLVLIDBLN-IBGZPJMESA-N 441.892 4.899 30 10 IJEE COc1ccccc1N=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1CCCSC 254311414 FAMHJGNOTHYJSR-QTQSSRPMSA-N 443.550 4.961 30 10 IJEE CC1(C)Cc2c(sc3nc(C4CCCCC4)n(N=CN4CCCCC4)c(=O)c23)CO1 254768696 BJYQKVKGMVYTNU-UHFFFAOYSA-N 428.602 4.634 30 10 IJEE O=[N+]([O-])c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(O)cc2)c([N+](=O)[O-])c1 254865246 BMAVGTXPGDDUDO-UHFFFAOYSA-N 444.407 4.507 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccccc2[N+](=O)[O-])cc1OC 254896262 FVCICMGTAHIBMA-UHFFFAOYSA-N 443.463 4.911 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C#N)Cc1ccc(I)cc1 390790104 FCWMUSDSLDIVRU-SFHVURJKSA-N 426.298 4.517 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)Cc3cc(Cl)ccc3Br)CC2)cc1 473450167 RTXXVBGJPYJZLF-UHFFFAOYSA-N 433.733 4.587 30 10 IJEE Cc1cc(F)cc2c(N3CCC[C@@H](c4n[nH]cc4NC(=O)C4CCCC4)C3)c(C#N)cnc12 480114294 CVHPWLKRSJUZCA-QGZVFWFLSA-N 446.530 4.790 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 518492759 NSJFXFIKWJWEFE-RUZDIDTESA-N 440.503 4.827 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCc1nc2ccc(Br)cc2[nH]1 541782373 KWARMLIIFPBTBU-UHFFFAOYSA-N 440.370 4.986 30 10 IJEE COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(C#N)c(SC)nc2O)c1 542375410 RKPJKFDYEIQTSJ-UNMCSNQZSA-N 445.544 4.760 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cccs2)C1 558992175 SZPBGRZBNUPWGT-QFBILLFUSA-N 428.533 4.773 30 10 IJEE N#Cc1cccc(NC(=O)c2cccc(N3C(=O)N[C@H](c4ccc5ccccc5c4)C3=O)c2)c1 562483498 CXPDPIQYVONFBX-XMMPIXPASA-N 446.466 4.761 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1c1ccco1 565919997 MOECXQSVGMWLRV-KRWDZBQOSA-N 429.318 4.740 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccccc1 574294190 OZSZCYVHECJELB-UHFFFAOYSA-N 432.531 4.907 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 578145289 VDQJRBJZAVTSMP-UHFFFAOYSA-N 429.568 4.513 30 10 IJEE O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 612530556 FRTIVCROFWIEFO-YUMQZZPRSA-N 438.246 4.817 30 10 IJEE C=CCC1([C@H](Cc2ccc(F)cc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722921518 CQCIJSBQVJMNCM-SFHVURJKSA-N 441.385 4.922 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(Nc2ccc(C)nn2)c1 737317273 VXGXNUBVAUKPEZ-OAQYLSRUSA-N 427.508 4.615 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CCC(Cc3ccc(OC)cc3)CC2)c1=S 749885950 NNUGPIWSCHXWEZ-UHFFFAOYSA-N 435.597 4.583 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 759238146 GYDXTKMEVKHVCQ-PCCBWWKXSA-N 428.488 4.657 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CCCN1C(=O)OC(C)(C)C 786316957 BWFBPHIVYXSCAR-XIKOKIGWSA-N 433.496 4.685 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(F)cc1 1084353185 XZBOGSFLDBKHMZ-OAHLLOKOSA-N 426.300 4.723 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 1125468649 XXQJUQVEGPYSQJ-UHFFFAOYSA-N 443.341 4.589 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCc2ccccc2)c1 1140341052 XUMRJVCUBOUKST-NRFANRHFSA-N 444.959 4.918 30 10 IJEE C#CCN(Cc1nnc(-c2ccccc2)s1)[C@H]1CCOc2ccc(Br)cc21 1167421256 RCXHNJVGJVZOAK-SFHVURJKSA-N 440.366 4.927 30 10 IJEE C=CCN(CC(=O)N(Cc1ccccc1)c1nc2c(C)c(C)ccc2s1)[C@@H](C)COC 1196048181 OYKZZSRHWWIWMY-IBGZPJMESA-N 437.609 4.969 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc1 1210341105 UEEUNLLUNNDQOS-QFIPXVFZSA-N 429.513 4.736 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(C(F)(F)F)ccc1Br)c1ccc(F)cc1 1252438897 HBJCKPIIJKZLFG-MRXNPFEDSA-N 429.211 4.781 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1)c1ccc(Br)cc1 1252459796 XNSFTLRXJHCECF-OAQYLSRUSA-N 445.332 4.653 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2)s1 1266838175 FVOIFRJZYALDNX-HNNXBMFYSA-N 440.009 4.763 30 10 IJEE CN(C(=O)c1cccc(C(=O)Nc2ccc(Br)c(C#N)c2)c1)c1ccccc1 1274484391 DSOPDNZSDFAKHL-UHFFFAOYSA-N 434.293 4.850 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCCc1nc(C)cs1 1286277377 COHLDTWRGRWXBC-ZWKOTPCHSA-N 441.576 4.803 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C1CC1 1286278022 KMAKWXUHVWTIEI-ZWOKBUDYSA-N 430.980 4.571 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(OC)CCC(C)CC1 1286425380 YJSGHVXNZQWPQG-UHFFFAOYSA-N 441.579 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)CCOC 1286436965 CMDBEIJGKOCWNB-UHFFFAOYSA-N 437.613 4.899 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@H](c1cccs1)N1CCCC1 1286458501 VWLCSAMUWFFFPJ-OAQYLSRUSA-N 437.588 4.518 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)CCc1ccc(Br)cc1 1286510053 ZTXLSFBOYBOIJT-UHFFFAOYSA-N 449.462 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCC(C)CC1 1286568052 XEZRVOJYNFWNLG-VSBGUDHJSA-N 429.634 4.630 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCC1 1286603276 QUXZZFILJBAZJU-UHFFFAOYSA-N 425.758 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)C1CCC2(CC1)OCCO2 1286673898 INMJJKHGQPJJQM-UHFFFAOYSA-N 430.618 4.655 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CC(C)(C)C(F)(F)F)C1 1286805280 POYYGQQSNUTGPZ-KRWDZBQOSA-N 445.489 4.863 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CCOCC)CCC1 1300286596 LCPWXPFRCZGJGM-KRWDZBQOSA-N 430.980 4.662 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(C)C1CC1 1300625621 JAUOJXQTQWYODB-UHFFFAOYSA-N 443.636 4.678 30 10 IJEE O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(O)cc1F 1300713123 BDCAKSBHUXKFAS-UHFFFAOYSA-N 427.272 4.666 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(OC(C)(C)C)CC1 1301047162 BSUJFKYIRFIBEX-UHFFFAOYSA-N 427.980 4.887 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1301049635 CBMSMZXJYAJKPP-SFTDATJTSA-N 429.008 4.990 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCOCCCC)CC1 1301075676 NWENBUZONMXCHA-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1301160664 UJCMYXRJWRRVSB-RTBURBONSA-N 441.645 4.888 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1301245358 AUCYBZRPVQVMOC-UHFFFAOYSA-N 445.567 4.625 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCOc1ccc(Cl)cn1 1301272527 HKNVATUUBFBJHK-SFHVURJKSA-N 441.963 4.785 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 1301340758 DKLFYDRPRJBCBN-UHFFFAOYSA-N 440.532 4.508 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(SC)c1 1301362941 LZKDYSYLDYYFKQ-SFHVURJKSA-N 441.626 4.591 30 10 IJEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCCC1(F)F 1301806334 CMOSANLAKBLPMJ-QGZVFWFLSA-N 442.514 4.618 30 10 IJEE CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)s1 1306001170 DFIGILVEBCAXOS-MRXNPFEDSA-N 447.568 4.686 30 10 IJEE C=CCn1c(S[C@H](C=C)C(=O)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1307251618 FHNFFTAYAJIIFB-OAHLLOKOSA-N 430.526 4.578 30 10 IJEE FC(F)Oc1ccc(CNCc2ccc(OCC(F)(F)F)nc2)c(OC(F)F)c1 1308201453 HNLIGGBIRRMVAG-UHFFFAOYSA-N 428.304 4.515 30 10 IJEE C#CCOc1ccc(CN[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 1308396687 CGFSYMYUSMLVBL-NRFANRHFSA-N 427.386 4.837 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)C(C)(C)C 1310650257 SBWZNSFPKSAGOZ-INIZCTEOSA-N 427.467 4.900 30 10 IJEE C#C[C@@H](NC(=O)NCCCCOc1ccc(Cl)cc1)c1ccc(Br)cc1 1311712597 AKKXUUPUACIPQJ-LJQANCHMSA-N 435.749 4.935 30 10 IJEE CCN1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1313909144 BJLIWXOYVZHAJC-QHCPKHFHSA-N 434.632 4.782 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)C1 1314270456 GYQGHLUBIXKIBN-RPWUZVMVSA-N 444.583 4.657 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1347903828 XOFAPXZQHCVRPC-IBGZPJMESA-N 442.581 4.558 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(C)ccc3c2)c(C(=O)OCC)c1C 1352792493 BZJNFVMRQIGQPT-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE C=CCN(C(=O)C1CC(C(C)(C)C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352964371 YKRDBUXGFBPLIK-UHFFFAOYSA-N 432.611 4.805 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1cccc(COCc2ccccc2)c1 1355148352 HITLWUVAFYFMBX-UHFFFAOYSA-N 435.321 4.968 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)c1 1358007648 UPCIJPBXIHOQHF-UHFFFAOYSA-N 435.570 4.903 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(C)(C)C1CC1 1358885842 SDLGBCXRTBCONO-GOSISDBHSA-N 446.599 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1358894509 QEYRYOYTNBWWSM-MRXNPFEDSA-N 432.597 4.610 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC[C@@H]1CCCCO1 1358972400 CVQBOAJMZKKQHQ-NRFANRHFSA-N 436.625 4.698 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncccc1C 1359000224 PPVPZLXAZNXDDX-IBGZPJMESA-N 437.975 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccsc1 1359105096 JRQJPRATEYOOSO-JSXRDJHFSA-N 444.645 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)N[C@@H](C)CC 1359108894 HLQWBPPNHBPBGD-SFHVURJKSA-N 443.661 4.983 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1ccnc(OC(F)F)c1 1359268932 IMCQTGYSODMNNL-UHFFFAOYSA-N 448.477 4.716 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCC2(F)F)C1 1359315932 FFADROOEQWAFRN-IRXDYDNUSA-N 437.922 4.600 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCSC(CC)(CC)C1 1359339704 ONEYPFSZNZUJKW-UHFFFAOYSA-N 432.659 4.985 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1436963257 AXAYDEHSWOGVTC-QGZVFWFLSA-N 425.467 4.778 30 10 IJEE CC(C)(C(=O)NCC(F)(F)c1ccc(Br)cc1)c1cc(F)cc(C#N)c1 1437904425 GYHCQQLMGMJQNV-UHFFFAOYSA-N 425.248 4.646 30 10 IJEE CCN(C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccc(C#N)c(Cl)c1 1458032984 DTXMLIAOBQYKIW-MRXNPFEDSA-N 449.860 4.632 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)nc2ccccc21 1458753447 AWNIAGIHBVAQRG-CQSZACIVSA-N 429.567 4.888 30 10 IJEE C=CCn1c(SCc2ccncc2Br)nc2sc3c(c2c1=O)CCCC3 1458820346 SFOGVSPKROMBMK-UHFFFAOYSA-N 448.411 4.973 30 10 IJEE C=CCN(C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H](Cc1ccccc1)C(=O)OCC 1458996428 IFUAHMQTDRVHBE-HSALFYBXSA-N 425.491 4.934 30 10 IJEE C=CCN(CC(=O)Nc1nc2ccccc2s1)Cc1cc(Br)ccc1F 1459420345 SAXBNCXVVMVZNW-UHFFFAOYSA-N 434.334 4.825 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1459809118 IMRKSQQNHKFGSM-HXUWFJFHSA-N 428.451 4.998 30 10 IJEE C#CCOc1ccccc1CNCc1cc(Br)c([C@@H](C)OCOC)cc1F 1461205267 JTVUTMHAOSUJLQ-OAHLLOKOSA-N 436.321 4.572 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1C)c1ccc(C(F)(F)F)cc1 1463376732 IESKYPVNFGGYGH-GOSISDBHSA-N 441.471 4.786 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCCC(C)C)c(OC)c1 1464272405 VOHWBGMAXGAEEC-UYAOXDASSA-N 446.588 4.604 30 10 IJEE CC#CCNC(=O)c1cc(F)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 1466524214 SGIDGLMKAJTXFJ-UHFFFAOYSA-N 428.463 4.940 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(NC(=O)OC)cc1 1466816408 DZVXIWOHFOLVFI-UHFFFAOYSA-N 434.290 4.514 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cccc(CN3CCC(CO)CC3)c2)cc1OC 1474045636 IFPPPJSJGHQSND-UHFFFAOYSA-N 430.976 4.730 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccc(CC#N)cc2)c2ccccc2Cl)c(C)c1 1475014254 HCYNXHHDRXDETK-HSZRJFAPSA-N 440.952 4.791 30 10 IJEE O=S(=O)(Cc1ccc(F)cc1Cl)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 1475303280 AWVNUJSGBBTTCO-PWSUYJOCSA-N 427.769 4.514 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 1476729410 UNEAJLDYLSXXSA-NVXWUHKLSA-N 435.318 4.727 30 10 IJEE COC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)C#N)CCCCC1 1504046044 BNWBJIXBIWPUCQ-MSOLQXFVSA-N 429.540 4.502 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1 1505314789 BCMHLQZRNCCMTO-QUCCMNQESA-N 447.505 4.537 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCO[C@H]1C(C)C 1507604551 KXDQHLIYSVTOHR-RTWAWAEBSA-N 449.624 4.898 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCc2cccnc21 1507609713 FAPMNPFAVUSKQG-HSZRJFAPSA-N 443.595 4.955 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1 1507828640 KOJLLKSJUGAELJ-CHWSQXEVSA-N 425.371 4.753 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1 1507832278 XNMMLTRPOLGQPB-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1507926811 UXQYIJXOSRQBOZ-ROUUACIJSA-N 446.979 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1507990596 RDNCSXNYCFXMDC-BGYRXZFFSA-N 425.596 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCSC1 1508009203 YKYZRZIEFZHCHX-LJQANCHMSA-N 425.627 4.661 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCC(C)CC1 1508020393 MYKPOUKKJBNRBH-FQEVSTJZSA-N 428.024 4.821 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nccs2)C1 1508151543 YAGBVPCZGUJURO-KRWDZBQOSA-N 448.017 4.552 30 10 IJEE Cc1nc(CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)sc1C 1510421186 GQNVOXXOBPDDQS-GFCCVEGCSA-N 432.956 4.650 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(c2ccncc2)CC1 1513098216 AIUUXUKVKPDURW-FQEVSTJZSA-N 443.599 4.611 30 10 IJEE CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1)N(C)C 1513293943 BVNFLALDKCBNNI-HSZRJFAPSA-N 440.611 4.504 30 10 IJEE CC(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(Cl)c1 1516777889 CGRLFVKWFIPCBD-CQSZACIVSA-N 432.307 4.644 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 1521711238 HDVZZVPHVQZNLF-RTBURBONSA-N 439.515 4.755 30 10 IJEE C=CCN(C(=O)/C(C)=C/c1ccc(Br)o1)[C@H](Cc1ccccc1)C(=O)OCC 1522164575 BXGLHOWCNDPRHN-JRJUITNWSA-N 446.341 4.634 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2cc(C#N)ccc21)c1ccccc1C(F)(F)F 1528210600 DTCZHVMHSUKWFN-LJQANCHMSA-N 445.441 4.732 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1528662715 ZHTZZCMIYWVLKK-XMMPIXPASA-N 443.544 4.765 30 10 IJEE CCOC(=O)[C@@](C)(CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 1529118542 BOUQJROYXCHPDB-SANMLTNESA-N 428.488 4.601 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 1529851568 YWMHABFCZITHMZ-IZBXUMLASA-N 427.548 4.718 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C(C)C)c1 1531139048 RODZUKJNNIGKOD-UHFFFAOYSA-N 434.989 4.886 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1533767859 WQZQXFRIIPUNRS-QTEAWJPNSA-N 446.491 4.598 30 10 IJEE O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 1535020137 GSXUXOKHYOUYCN-JKSUJKDBSA-N 434.311 4.757 30 10 IJEE C#CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@H]1CCCc2ccccc21 1538324181 VHRIEZWGGMSGHO-QFIPXVFZSA-N 439.346 4.786 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](c1cccnc1)C(C)C 1538975169 YKHRCYSAFGCCIQ-QKNQBKEWSA-N 435.547 4.850 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)Cc1c(C)noc1C 1539133670 KJWWCNDYSAGHGN-UHFFFAOYSA-N 435.572 4.944 30 10 IJEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1Cc1ccc(-c2ccsc2)nc1 1539377832 WKPGYLAWPJOBBY-UHFFFAOYSA-N 443.576 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(F)(F)Br 1539649649 ALQBFWMFMUCJKL-CYBMUJFWSA-N 447.299 4.947 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@H](c2ccccc2)C1 1539686390 SCYZGTCRQXMQED-IBGZPJMESA-N 442.361 4.580 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1539839835 FHPAGRYLDNNDPP-LJQANCHMSA-N 429.012 4.662 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1539900922 XFIUNWTXLKIMMW-GOSISDBHSA-N 448.571 4.734 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2sccc2c1 1539946549 BSZMPVCJEAWLDB-UHFFFAOYSA-N 437.613 4.960 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCCOCC1)C(C)C 1540148510 YBGKFRJUJCONAU-QFIPXVFZSA-N 444.023 4.524 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)n2)c1 1540166284 HROTYKZAGPNDNE-SFHVURJKSA-N 441.318 4.734 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCC[C@H]2C)C1 1540885184 DBGJDHSZAIQPTO-NFBKMPQASA-N 437.632 4.508 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCCS2)C1 1540887433 XGEZYVORCYBITI-QZTJIDSGSA-N 449.020 4.674 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1540914964 GCPYMDDYUKQUJP-OALUTQOASA-N 447.674 4.896 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCC(F)(F)C1 1541187025 DMESWJBVUJCQJW-UYAOXDASSA-N 443.542 4.752 30 10 IJEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)CCCC1 1544636819 SNRJAPHUFYOKEY-UHFFFAOYSA-N 426.582 4.768 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOCCC1CC1 1556764481 OCLSTEMAIVXAIS-DEOSSOPVSA-N 434.536 4.708 30 10 IJEE C=CCn1c(SCCCN2CCC(Cc3ccccc3)CC2)nnc1-c1ccccn1 1559383333 TUUMACMJSAFGGJ-UHFFFAOYSA-N 433.625 4.963 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)cc1 1562235839 UHZKAFFLHIWQOC-IBGZPJMESA-N 442.357 4.810 30 10 IJEE C#CCN(C(=O)Nc1c(C)ccnc1CC)[C@@H]1CCOc2ccc(Br)cc21 1563372087 QGIJXEHRMSJHDA-GOSISDBHSA-N 428.330 4.706 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1564441876 YIKQYUNWBHAGDH-ICSRJNTNSA-N 440.437 4.591 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCc1cccc(Br)c1 1569740101 ROWPITVNWQWFGO-SFHVURJKSA-N 439.394 4.700 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NCC2CCN(CC(F)F)CC2)cc1Cl 1569919211 BWMIEXNACHJPTD-UHFFFAOYSA-N 433.886 4.711 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1584688114 SIYIBEWVHHLHSP-QFIPXVFZSA-N 447.332 4.735 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)c1ccc(Cl)cc1 1584690678 WLVKBOCOEZXLRE-GOSISDBHSA-N 428.294 4.911 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(Cl)c1 1585668246 HZYZWSZLXUSHFC-UHFFFAOYSA-N 448.935 4.952 30 10 IJEE Cc1cc(NC(=O)COc2ccc(C#N)c(Br)c2)ccc1Oc1ccncc1 1586472528 DNORZZCQFQFLNV-UHFFFAOYSA-N 438.281 4.834 30 10 IJEE C=CCC1(CNC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCCC1 1587304628 HYWXJLCMILITHK-UHFFFAOYSA-N 439.021 4.574 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1587718611 KBNTXRODUYRAIG-XMMPIXPASA-N 444.627 4.713 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1587798150 DUEDMPXPDSYGNK-AZUAARDMSA-N 427.618 4.897 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](SC)C(C)(C)C 1587936930 BWADIMJNXXRQRP-KRWDZBQOSA-N 435.435 4.863 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCO[C@H]1CCCC[C@@H]1C 1588472570 GKYUWNKOFJWWRC-UGKGYDQZSA-N 426.580 4.950 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1 1589545617 ODSRPRUDJQPBAC-SSPYTLHUSA-N 437.632 4.929 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCCCC2)C1 1589741987 BHWVHIQHUDDKJH-UHFFFAOYSA-N 437.407 4.885 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1nc(C(C)C)cs1 1594929878 QGRQNWADWPCEKK-UHFFFAOYSA-N 432.391 4.958 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CC1(OC)CCC(C)CC1 1595261142 OKCFQTKBLFBSPM-KWLQHXCVSA-N 428.577 4.553 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCSC1(C)C 1595303476 UASVBNGHBMKVDD-IBGZPJMESA-N 439.629 4.521 30 10 IJEE C#CC[C@H](COC)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1595818304 QWYZEHUKRDYBSM-XMMPIXPASA-N 435.527 4.974 30 10 IJEE CC(C)(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1597384200 GPYXWASWYPLFBI-LJQANCHMSA-N 442.558 4.563 30 10 IJEE C#CCNC(=O)[C@H](C)SC1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 1613122742 AXDAYMDSZUDOLA-QSSXUJFUSA-N 445.588 4.733 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC#N)CC1)OC 1613125549 FEOJAJXBMMGKHS-MBSDFSHPSA-N 447.587 4.526 30 10 IJEE COc1ccc(-c2ccn(-c3ccc(S[C@@H](C#N)CCc4ccccc4)nn3)n2)cc1 1613752617 DZMAJBWMQHUMTG-OAQYLSRUSA-N 427.533 4.955 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(CCSc2ccc(F)cc2)c2ccccc2)c1 1615989016 TXVBRWLCVUGJDW-UHFFFAOYSA-N 447.535 4.754 30 10 IJEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)(F)F)ccn1 1617454907 GAHDPPUSAZGXBF-UHFFFAOYSA-N 446.502 4.761 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N1CCCCC1 1617868603 FNONDOVQWLOFLS-JOCHJYFZSA-N 446.599 4.904 30 10 IJEE C#CCOc1cccc(OS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 1621765772 LQPZBRDCMOIXHX-UHFFFAOYSA-N 436.110 4.536 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@]3(CCc4ccccc43)C2)s1 1623065569 CNPMEIWQNICHTI-OAQYLSRUSA-N 435.014 4.539 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@H]3[C@@H](O)c3ccccc3)c2)nc1 1623142693 FXHFMNUWQYGANO-UPVQGACJSA-N 428.492 4.866 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1623360188 RJDMNFXATVNGLK-KBMIEXCESA-N 430.548 4.778 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3)n[nH]2)c1C 1624695570 SPWCLGWHOHFNAX-QGZVFWFLSA-N 443.473 4.725 30 10 IJEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1625998181 FAADVQMDJNAGTR-UHFFFAOYSA-N 429.904 4.601 30 10 IJEE COc1cc(NC(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(F)cc1C#N 1626517737 DIOJTOCZAHFIGQ-BLVKFPJESA-N 437.393 4.719 30 10 IJEE C=CCSc1ccccc1C(=O)NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F 1636553403 OGLAQHHJZPCHCE-MUUNZHRXSA-N 428.501 4.741 30 10 IJEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)C(C)(C)C 1636944710 YTYGCQMBLVJRBT-DEOSSOPVSA-N 446.572 4.932 30 10 IJEE C#CCN(CC(=O)Nc1ccc(CSc2ccc(F)cc2)cc1)C(=O)OC(C)(C)C 1637852156 NVYZBGKELAQKKF-UHFFFAOYSA-N 428.529 4.927 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CCCC1(F)F)[C@H]1CCOc2ccc(Br)cc21 1637981997 TVNCRNUYINHKPM-YOEHRIQHSA-N 441.316 4.743 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H](C)C2)c1 1638820427 ANQIDGUQCRJCKH-GOSISDBHSA-N 447.000 4.984 30 10 IJEE C=CCn1c(SCc2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccccc1F 1652469084 ANIKGBBZCFPERC-UHFFFAOYSA-N 425.464 4.675 30 10 IJEE CC[C@@H]1Cc2c(Br)cccc2CN1CC(=O)Nc1sc(C)c(C)c1C#N 1653434900 ANWTVPAUSSNOOH-OAHLLOKOSA-N 432.387 4.775 30 10 IJEE C#C[C@H]1CCCN(CC(=O)Nc2cc(-c3ccc(Cl)cc3)sc2C(=O)OCC)C1 1654037033 SNXKACGSMHHINV-HNNXBMFYSA-N 430.957 4.529 30 10 IJEE N#Cc1ccccc1OC[C@@H](O)CNC1(c2ccc(Br)cc2)CCCCC1 1654214994 GGVHGMBYBISKAE-FQEVSTJZSA-N 429.358 4.510 30 10 IJEE C=CCN(CC=C)[C@H](CNCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C(C)C 1655261750 UTBCYJLXZLPPQQ-OAQYLSRUSA-N 433.662 4.830 30 10 IJEE Cc1cc(F)ccc1C1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 1655484326 AYWSXDYYXVYVHW-UHFFFAOYSA-N 426.435 4.593 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O)c1ccccc1 1656679597 BYOMLLKJMXJUPG-LJQANCHMSA-N 438.376 4.975 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)NC1(c2ccc(Br)cc2)CCCC1 1659609402 CZVZUBCUHDXJHG-UHFFFAOYSA-N 439.762 4.722 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)c1ccccc1 1661009467 JKQQSGVGSQWRAJ-HSZRJFAPSA-N 432.549 4.715 30 10 IJEE CCc1ccc(-c2noc([C@@H](C)NC(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)n2)cc1 1661200832 GXKCSXZOGZHABM-GFCCVEGCSA-N 445.401 4.952 30 10 IJEE O=C(NCC1CCN(C2CC2)CC1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1662958713 GLSMCGTWYTZHDZ-UHFFFAOYSA-N 441.391 4.972 30 10 IJEE C=C(C)CS(=O)(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1666414871 SLPRUXIFOGFSGM-GOSISDBHSA-N 445.437 4.650 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2)c1 1667013544 FESSYUMRNIDIHH-KRWDZBQOSA-N 448.429 4.556 30 10 IJEE C=CC[C@H]1CCCN(C(=O)NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)C1 1667365950 MYTBJRXMPKHWQZ-QFIPXVFZSA-N 435.568 4.553 30 10 IJEE C=CCC[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1668177723 VYLPXZMINVGCOP-SFHVURJKSA-N 442.459 4.783 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 1671771272 RPQUUKUZJGMYAL-JOCHJYFZSA-N 435.511 4.981 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCc1ccc(Br)cc1Cl 1675023257 ITVWJLWICLALRD-UHFFFAOYSA-N 425.685 4.618 30 10 IJEE C=CCC[C@H](NC(=O)NCCCN1C[C@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1676840192 GQBSUWHMYDWPFR-QKLQHJQFSA-N 427.511 4.511 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 1678823725 MWALEUXPQBICAV-HSALFYBXSA-N 433.321 4.710 30 10 IJEE C#C[C@H](NC(=O)N1CC=C(c2ccc(Cl)nc2)CC1)c1ccc(Br)cc1 1683680249 AURZYLQIBIUHSG-SFHVURJKSA-N 430.733 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCC[C@H](C)C1 1689831519 MESXKIAWPABNHJ-GOTSBHOMSA-N 433.644 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC[C@H](OCC)C(C)C 1690207749 KQIFVNXFAMJVPJ-XUZZJYLKSA-N 430.543 4.590 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1690241221 QBSNSWCJFHKSLD-JTHBVZDNSA-N 431.540 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CC)CC1CC1 1690241419 SABGIXBVXBLCPQ-LAUBAEHRSA-N 430.980 4.825 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690493260 BRKZIINWOMHMHA-JOCHJYFZSA-N 434.588 4.732 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)c1ncc(C)s1)C1CC1 1690541208 RYEHGWNANXWDMV-OAHLLOKOSA-N 439.585 4.686 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1690742543 UITCTWCKFVFIHP-XLIONFOSSA-N 441.626 4.596 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690747325 YQSJZUJEXRGEFJ-FQEVSTJZSA-N 447.048 4.573 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCCO1 1705513257 GFDQMCCFLIOJJK-KRWDZBQOSA-N 431.378 4.516 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1705529494 KSLIWFPQSGFEJQ-UHFFFAOYSA-N 444.526 4.782 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1705624714 MHOFKGUQLRCGRV-JKSUJKDBSA-N 440.897 4.978 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCS[C@H](C(C)C)C1 1705704063 YMFADBAFWIHYKN-FIXSFTCYSA-N 440.657 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1C[C@@H](C)O[C@H](C)C1 1705713213 WYUDGZRXJRPCAH-RTBURBONSA-N 434.588 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1705716647 QSHSGOWNMJCSEF-LJQANCHMSA-N 433.641 4.916 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CC[C@H](C(C)(C)C)C1 1705739910 VUKIBWWLKQGEMU-NRFANRHFSA-N 426.605 4.885 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2CCN(CC)CC2)CC1 1705763472 WAMOGAWRVHILEQ-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(OCC)CCCC2)CC1 1705778348 TUKGUFLRANPWKF-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705787781 DMHPILJTOIVGPF-OAQYLSRUSA-N 448.615 4.550 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCO[C@H]1C1CC1 1705836631 ZSNIRUPRXWTLIA-RXVVDRJESA-N 449.368 4.674 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705837781 NQHLTKAEHLIKDT-UHFFFAOYSA-N 438.885 4.584 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C 1705860018 MEZZCEIOYFCXQA-VXKWHMMOSA-N 437.588 4.645 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(Cc2cccs2)C(C)C)cc1 1705909947 MVRPCEPCDXMERM-UHFFFAOYSA-N 448.596 4.768 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2)CC1 1706241886 DZMLAKYVGUODDS-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1706746449 AUHFANRPJHTOIH-GOSISDBHSA-N 436.604 4.782 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN(C)C1CCCC1 1708654622 AMNPESSUJXKAAK-OZXSUGGESA-N 434.632 4.824 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(Cc2cccs2)CC1 1722326219 FAXBBFZEIFETGR-HSZRJFAPSA-N 433.625 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1722467009 KHZCBAGLBWOWMK-ISQLDUATSA-N 425.646 4.928 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)c1nccs1 1722476199 OPAQZWANSWNNOZ-NTKDMRAZSA-N 435.597 4.726 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C 1722502315 IDWRAOLJSNOTLT-XUZZJYLKSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1722517037 KPTGWZSQUAIDCW-FQEVSTJZSA-N 443.611 4.909 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@@H]2CCCCO2)CC1 1722560456 AHPBPCAUSFESBW-KRWDZBQOSA-N 434.382 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C 1722590212 AVIPSXKCINEDSV-GOSISDBHSA-N 434.588 4.656 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1722603755 MQTLNWLOCAVAJY-RPWUZVMVSA-N 437.632 4.629 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cc(OC)cc(OC)c1 1722683776 VCANIDKZCHHVRP-MRXNPFEDSA-N 438.597 4.971 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](COCC)C1 1722734795 JFBJHYKRJHOAAZ-QZTJIDSGSA-N 446.686 4.913 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)C1CCCC1 1722737036 QPCALGZPTUFJLE-UHFFFAOYSA-N 427.618 4.835 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC[C@H](F)C2)cc1 1722892014 GOPQTNXNJZOXQS-KDLAUNOPSA-N 443.542 4.735 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1740594337 JEDREVSXUDQVND-UHFFFAOYSA-N 433.644 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)CCC(C)C 1740735292 YXOOEUKYLZYHSW-FTJBHMTQSA-N 438.616 4.653 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1740803131 TXWJHSADARPFSE-UHFFFAOYSA-N 425.627 4.679 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1740837981 BYDJFFPYNQIAST-RTWAWAEBSA-N 430.980 4.963 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740845652 WVUOINJKTJLAGO-IBGZPJMESA-N 449.599 4.987 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1740892023 PJCSSSBLIGIHGM-GAJHUEQPSA-N 444.963 4.811 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CCc1cc(C(F)(F)F)ccn1 1740931292 IPQOQEXNLXNZIK-UHFFFAOYSA-N 445.464 4.843 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H](OC)C(F)(F)F 1748655145 RVRGPSVSCHRHKG-XHDPSFHLSA-N 435.277 4.677 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1748659437 HNQNIPCGUYODEG-YYDVJCTNSA-N 449.624 4.556 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H](c2ccco2)C1 1748739624 DVCLBURKKKLMLO-FQEVSTJZSA-N 434.540 4.743 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1748762080 GBSPFYMTWLVRIA-LJQANCHMSA-N 445.032 4.890 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C1CCCC1 1748915133 UOWIJLZEZLWSFP-UHFFFAOYSA-N 425.646 4.609 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](CC)C1 1749136324 MAPPMDRCMVNNLC-FGSXEWAUSA-N 430.980 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@](C)(O)[C@H](C)CC 1749150305 TWCCEUFWQBMFAH-IERDGZPVSA-N 435.410 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1sccc1Br 1749154161 NREXYJMSXIYZOL-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCOC(C)C 1749155910 MBUHJGQAEYXDJX-UHFFFAOYSA-N 449.640 4.610 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1749199657 XDYABIICGDESFZ-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1749209009 JDZZTGJLLDNUAI-DHIUTWEWSA-N 437.632 4.878 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1749280910 UFGUDNKEQIUPJU-LJQANCHMSA-N 425.385 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1749294207 RXIMOZAOFKSTSF-UHFFFAOYSA-N 429.446 4.572 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1749294233 SYIMXTPORAXHNP-IBGZPJMESA-N 440.979 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1749375580 DPYJUYSOGSRURP-RBUKOAKNSA-N 449.640 4.547 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccon1)c1ccccc1 1749385461 QZNWOHPOKLHEDF-IBGZPJMESA-N 434.569 4.618 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCN(C(C)C)C(C)C)C1CC1 1749515219 SHUDYKYQUCQCNU-UHFFFAOYSA-N 446.437 4.981 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1749530190 UTULKLVVVJCCGC-BKMJKUGQSA-N 433.600 4.845 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1749746572 HUJLUSBFDMNPBK-QFBILLFUSA-N 430.599 4.794 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CCC=C(Br)C1 1749760803 MZJYPMDXXAGNOH-UHFFFAOYSA-N 447.446 4.862 30 10 IJEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1)C(C)C 1750892758 FSBCIQVHAJRFHH-ISKFKSNPSA-N 434.632 4.952 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760156837 VJVYQWLQXSXAHL-CTNGQTDRSA-N 443.636 4.554 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCSCC(C)C 1760228321 ARCDIIKMHOMQTO-UHFFFAOYSA-N 435.435 4.865 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)c1ccco1 1760308599 LMXULROLJRHAFR-ZDUSSCGKSA-N 437.288 4.846 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760315415 FFGBRVBWZOVJLK-XQUALCHDSA-N 443.680 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1760317056 ACGVTEATNCDWMF-FPOVZHCZSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1760322156 OMMREPBTLUYUHT-IERDGZPVSA-N 436.522 4.902 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760341558 JDBKFISDSYNPLF-AYBZRNKSSA-N 438.494 4.767 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@@H]2CCCCO2)CC1 1760396996 MLBIOIVKCXVYKG-QUCCMNQESA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2CC(OCC)C2)CC1 1760398476 ZVGHUNNJYHRUBK-UHFFFAOYSA-N 448.409 4.643 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760482619 KLCFJOSGBZHTBD-JYFHCDHNSA-N 445.611 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1760491489 JEXAVNYPILWFHO-OALUTQOASA-N 429.012 4.540 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1-n1nc(C)cc1C 1760494116 IWPQRCRORRKWHG-UHFFFAOYSA-N 439.567 4.678 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760507792 FXWGHFXOIQYWKL-UHFFFAOYSA-N 440.979 4.523 30 10 IJEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCC)CCC2)C1 1764504890 GPKRNMYXNWUOGI-QFIPXVFZSA-N 448.615 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H]1CCO[C@@H](C)C1 1772522781 MVVDIFYCJRWQGT-HKARXFIJSA-N 430.955 4.935 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12 1858242851 IYBUWQASUGTMBS-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1C 1862401684 GXMXQFNDCHDZBW-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862443000 WHAAMHYGNQAANT-QFIPXVFZSA-N 433.891 4.997 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(O)c2)cc1 1862534387 SDBSYYOGPFKMJQ-QFIPXVFZSA-N 433.529 4.837 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1C(=O)O 1862546426 XKHRXBXWXHTRRF-HSZRJFAPSA-N 447.531 4.888 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1 1862548817 AHFIMEPOIRNNFS-QHCPKHFHSA-N 447.531 4.586 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc(Br)ccc1F 1862601848 OJIJPZYSQHOQBW-VOJFVSQTSA-N 448.288 4.671 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 1862614656 CHYJQVOWLHCFLI-IFMALSPDSA-N 437.511 4.881 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862641886 CWWFCECVTDRQLK-SPLOXXLWSA-N 427.472 4.610 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862667760 JJUJJMVIHUVFFX-DEOSSOPVSA-N 430.548 4.933 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862676015 YNLFETPSHPTYFZ-XMMPIXPASA-N 445.490 4.964 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862701559 IAJLBKMAIQZQEO-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(C3CCCC3)C2=O)cc1 1863388943 ZNZWLFNEGGSFHR-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 1864210429 MJTYDTAHJHEWKV-QFIPXVFZSA-N 442.563 4.555 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866695927 MBFICQJLSJMZMG-DQEYMECFSA-N 440.547 4.593 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)nc(CCC)n1 1869217667 KHCDWZSSIMFEJA-OAQYLSRUSA-N 434.584 4.776 30 10 IJEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870452441 KWYVRKQNFVGXSY-OAQYLSRUSA-N 434.621 4.773 30 10 IJEE C=CCOc1cn(CCN(CC)CC)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870811370 WPGJNFIWGAYRDF-UHFFFAOYSA-N 445.607 4.958 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(Br)cc2C)cc1=O 1870813139 YCXPQRKLAGFUHW-UHFFFAOYSA-N 449.389 4.911 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870830690 WNQWMZXHTDLKGO-UHFFFAOYSA-N 446.588 4.863 30 10 IJEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871251541 KFPLQNJCDJBMKZ-UHFFFAOYSA-N 444.535 4.588 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 1871371123 NUWGHEKCIQWQOK-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 1871877322 ZTJHQZMOQCGZQV-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871984709 UFNMMHPPWFXRMV-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CC 1872114626 LJPUAEJXHZBPKN-INIZCTEOSA-N 440.915 4.694 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(C)(=O)=O 1872325659 ZIPWVCINUYRODO-OAQYLSRUSA-N 440.675 4.831 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c([N+](=O)[O-])cc1OC 1872766292 FDUBAIJIBHDNOR-CYBMUJFWSA-N 445.403 4.504 30 10 IJEE COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774508 TUGOADLZFCFVRS-OAHLLOKOSA-N 426.881 4.733 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2cccc(OC)c2)C1=O 1873044856 VWMWGWZSRJEXJP-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2Br)[nH]1 1873470124 ZLUVDGFYJIFEIB-UHFFFAOYSA-N 435.329 4.650 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(NC(=O)CC)cc3)c(=O)oc2c1 1873949679 NWWPXAWTVWLWPJ-UHFFFAOYSA-N 448.519 4.976 30 10 IJEE Cc1ccc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SCCO)cc1 1874197293 CPMAXADPUGTARV-NLRVBDNBSA-N 446.576 4.718 30 10 IJEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(O)c(O)c1 1874226493 NVQUMZOOBYWRTA-BUVRLJJBSA-N 440.569 4.702 30 10 IJEE CCOc1cc(/C=N/n2c(CCCOc3cccc(C)c3)nnc2SCC)ccc1O 1874246349 ZSACLVPYYFURHX-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1C(=O)O 1874330463 SXPZFJVBACRRPY-AFUMVMLFSA-N 434.565 4.929 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)c(OC)c1 1874448048 RHNHRHMEPTWFOZ-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1F 1874466215 CNUMRONEXGHFMW-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCC(=O)Nc1ccc(CC)cc1 1874529797 BBQDVGHYSKPURT-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(C)nnc1SCC(=O)Nc1cccc(C)c1 1874529941 JIOHZHJCXBEXFK-AFUMVMLFSA-N 445.548 4.670 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2Cc2cccs2)c1OCc1ccccc1 1874560974 YQAPIIUXFMLSNU-OEAKJJBVSA-N 436.562 4.689 30 10 IJEE O=C(COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 1874581885 KXAWTZDNHHVUDF-VZUCSPMQSA-N 433.435 4.511 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)c1 1874704721 YECJFEFQYZIGMU-VAWYXSNFSA-N 432.472 4.893 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 1874745491 VXIJUHHSVYFWAI-UHFFFAOYSA-N 428.326 4.915 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2cc(Br)c(Cl)s2)C3)OC1(C)C 1879730573 ODBPGBDCFMEJKB-DYZYQPBXSA-N 446.603 4.862 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1 1891285177 WCHRDXMAUKXNMU-UHFFFAOYSA-N 432.320 4.808 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)C1(CCOC)CCN(C(=O)OC(C)(C)C)CC1 1922069064 NMVJSOUHYDWPHQ-QHCPKHFHSA-N 446.632 4.791 30 10 IJEE N#Cc1csc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1951851811 AWVZPDSUEWEWLH-NHCUHLMSSA-N 444.512 4.669 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022278972 GSQDVVLAQMHTSO-PXDATVDWSA-N 427.589 4.739 30 10 IJEE CN(C)C(=O)c1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079218082 HPOCAYJVYKLQAW-UHFFFAOYSA-N 448.136 4.513 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCCC 2088509544 JZSVJZJDLUFYEA-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(c2ccc(C#N)c(Br)c2F)C1 2118192925 UXMBWPLSFZSYME-IBGZPJMESA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cnc2C#N)[C@@H]2CCCC[C@H]21 2179397932 KNWWLLHDMZRTIR-DHSIGJKJSA-N 435.366 4.553 30 10 IJEE C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1C#N 2181046336 KIFVHRBZPRQMCV-UONOGXRCSA-N 438.366 4.979 30 10 IJEE N[C@@H](C#Cc1sc(Br)c(Br)c1Br)C1CCC1 2212189532 MAIQGYNFMCWPBV-ZETCQYMHSA-N 427.987 4.515 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2235745193 BJFWUHBQPKTJJQ-OALUTQOASA-N 433.390 4.568 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CCCCC1 2266998592 HQMOMEYUKYWYEG-UHFFFAOYSA-N 440.437 4.954 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267818509 GKEXSMXMOPHSRL-UHFFFAOYSA-N 439.365 4.967 30 10 IJEE C=C(CN(C)C(=O)CCc1ccc(NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 2268645468 PMOUWURVTZAIJV-UHFFFAOYSA-N 444.381 4.612 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(Br)cc1OC 2292199589 JXSPCDWYBXNCLI-NRFANRHFSA-N 435.314 4.763 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 2296179731 ZCWAEYIXJAXSEZ-FQEVSTJZSA-N 447.362 4.757 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296221735 LGDIUTUOPHJQIE-GOSISDBHSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](N)C#Cc3ccc(Br)cc3)C[C@@H]21 2296289401 RHEFSWSDKQCVMN-XEYPJELSSA-N 433.390 4.554 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@H](C)C1 2296289485 SCXHAJMWTJGPJQ-DKZVUGQWSA-N 435.406 4.862 30 10 IJEE C[C@@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2296594502 MFTMMLJPJKJNHH-CQSZACIVSA-N 441.911 4.903 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(C(C)C)cc1 2320883629 JINCVHAZUVZMNF-UHFFFAOYSA-N 427.618 4.902 30 10 IJEE Cc1cc(OC(=O)c2ccco2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2322657705 MGCQUTVBXDJYMM-UHFFFAOYSA-N 438.819 4.943 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 2323434263 OCKRFCJZRNSSLN-UHFFFAOYSA-N 443.411 4.838 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1nccs1 2323675914 ZJIVYGIIUWVLBJ-UHFFFAOYSA-N 443.868 4.618 30 10 IJEE CCOc1cc(C=C2CN(Cc3ccccc3)CCC2=O)cc(Br)c1OC 2323865577 VCTBBQYOTLVNLY-UHFFFAOYSA-N 430.342 4.715 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325735877 GNNRUGSVVJBWDV-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325753308 BAXJSLFNKBICCG-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)c(OC)c1 2326618446 QGMCGDPCNYHAAX-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE COc1cc(C=Nn2c(COc3ccc(Cl)cc3)nnc2SC)ccc1OC(C)C 2327506813 NJYBKCMJEIHTPD-UHFFFAOYSA-N 446.960 4.910 30 10 IJEE COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)n2N=Cc2ccc[nH]2)cc1 2329278034 XIDJGUZAIQLITE-UHFFFAOYSA-N 431.565 4.997 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(C)cc1 2330050746 YAQQOWHHWGIJLW-LJQANCHMSA-N 435.597 4.581 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccncc1 2331660342 RQZWWTVMGVEZSZ-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cn(C)c3ccccc23)c1 2331682920 SCBFFYILZAAGJH-UHFFFAOYSA-N 446.580 4.815 30 10 IJEE N#Cc1cc(C=O)ccc1Oc1cc(Br)cc(I)c1 2338720381 QLTRZHMQOBDDQB-UHFFFAOYSA-N 428.023 4.530 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(F)c(Br)cc2F)OC1(C)C 2364848539 IDUPSATYZRGWSW-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)n1 2479018 BQENCIVADLPDKC-JOCHJYFZSA-N 447.922 4.892 30 10 IJEE COc1ccc(C(=O)N/C(=N\c2ccccc2)N2CCN(c3cc(C)ccc3C)CC2)cc1 15729090 WZZXKRBBQDYTKK-UHFFFAOYSA-N 442.563 4.552 30 10 IJEE COc1ccc(Br)cc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 20881896 BRZCCUXANSYOHR-CRAIPNDOSA-N 440.337 4.770 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3cccc(Cl)c3)n2)cc1 33790642 URASJSIRCCAGQX-LPYMAVHISA-N 449.001 4.940 30 10 IJEE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/Nc1c(F)c(F)c(F)c(F)c1F 59165277 KMGNDYNZCDMYET-HCBMXOAHSA-N 425.317 4.539 30 10 IJEE C=CCOc1cccc(NC(=O)CNc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1 66096249 FXMYPFFRCVSEJJ-UHFFFAOYSA-N 429.520 4.574 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)/C=C\c3ccc(OC(F)F)cc3)s2)cc1 97985807 QHRVQZVMFKZZAY-YFHOEESVSA-N 444.488 4.955 30 10 IJEE CC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)C=C(Sc2nc3ccccc3s2)C1=O 110535167 GYBQNQZBQSHYRO-HZHRSRAPSA-N 440.571 4.940 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925214 KEEUZKTYRWKUHE-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)cc1 169929565 ZGEVMYZZPIGYKO-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)cc1 169944842 NBURRTPWOAOLFD-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(O)cc2)c1 169960548 GBCAHUYDXANPTC-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cn(C)c3ccccc23)cc1 170084559 JFEPBEXYDVXSSR-HSZRJFAPSA-N 442.471 4.558 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100539 QEEFEJAKYOPPJF-QFIPXVFZSA-N 442.427 4.581 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccc(C)o2)c1 170103655 WEFIAEVNOKIWKW-NRFANRHFSA-N 443.459 4.564 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@H]3c3cccc(C)c3)oc12 170143663 QJNXCLUAQSDJNG-GCJKJVERSA-N 447.487 4.507 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1 170163536 VAORWMNTEUDVDD-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccs1 170163951 NAVPLNKLJHXWOH-FQEVSTJZSA-N 427.522 4.676 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccnc2)c1 170189930 OIUABWHPRMIUAL-QHCPKHFHSA-N 444.487 4.667 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)ccc1Cl 170199862 HAYQTTFBRZOHCL-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)cc1 170200434 GLNQNEFGRCIVDM-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1ccccc1F 170253174 GSROSGSZMXWFSV-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccco2)cc1 170285350 GJOZDLGRDZTFGE-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccco2)cc1C(C)C 170291416 KJWITKGGPBUNSG-VGSWGCGISA-N 439.508 4.559 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(C)o2)c1 170304057 PJVFWAXCHFLXFT-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)o2)c1 170310600 JTFOUBAEGCNYCK-FQEVSTJZSA-N 447.915 4.643 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc2ccccc2c1 253565770 IDGHHAXJLDAZKX-UHFFFAOYSA-N 444.516 4.744 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccc(F)cc2)/C1=C(O)\C=C\c1ccccc1 254740350 QSQYGJQYAYILDM-BDHQTMCFSA-N 443.430 4.706 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(O)nc2ccc(Br)cc12 464936588 BSCFBSCHXUPEDX-UYAOXDASSA-N 436.309 4.615 30 10 IJEE CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)c12 484144540 KUWQACFQKMJLGU-UHFFFAOYSA-N 427.464 4.833 30 10 IJEE N#Cc1ccc(Br)c(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 492743085 GAHRLCDSKPHUCJ-HXUWFJFHSA-N 444.760 4.922 30 10 IJEE COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s2)cc1 503065299 LIBAGKHBESGUFV-WNSKOXEYSA-N 443.569 4.566 30 10 IJEE C=CCn1c(SCCc2nnnn2-c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 515423928 GPTYSEUVCBRECB-UHFFFAOYSA-N 445.596 4.739 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2/N=C\c2ccc(C(C)(C)C)cc2)o1 526830801 BHRUPMANXAJSAS-MSXFZWOLSA-N 426.542 4.908 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(Cl)n1 586260776 RLUQNYOMQFXLAV-UHFFFAOYSA-N 448.331 4.664 30 10 IJEE N#Cc1c(NC(=O)c2cc(O)nc3ccc(Br)cc23)sc2c1CCCC2 609965965 XOXUIVBJBQNBFE-UHFFFAOYSA-N 428.311 4.767 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 727233171 HYHUDHLVKQSNTM-RHSMWYFYSA-N 432.442 4.945 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 731026647 LSXWPCGZNQLIJY-UHFFFAOYSA-N 427.618 4.679 30 10 IJEE CC[C@H](C)Sc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C(F)(F)F)c1 732698939 PJXQMKPYHKCMKS-DZGCQCFKSA-N 426.508 4.800 30 10 IJEE CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(Cc2oc3ccccc3c2C)C1=O 734295321 DTSDQEVMDVLIOX-JGNKGZAFSA-N 441.578 4.500 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 742214359 DLNUBOHQOYFGDK-IBGZPJMESA-N 425.941 4.714 30 10 IJEE N#Cc1ccsc1N1CC[C@H](OC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)C1=O 764056147 LLYGKNKTAIJQPL-HNRFISLBSA-N 440.830 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 802586657 CXQYROWXVKYLSQ-GOSISDBHSA-N 430.339 4.801 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@H](C)c1cc(C)ccc1C 809920817 DSXIBPXHCICFFO-HXUWFJFHSA-N 433.556 4.705 30 10 IJEE C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CC[C@@H](C)F)c1 814708663 QONWWLSIVCNWOE-QRWLVFNGSA-N 441.503 4.515 30 10 IJEE COc1cccc(N=C2S[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)c1 1084196131 DMJRNAJNWYZKDC-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE CCCCC(C)=NNc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n[nH]1 1084598990 QXYLTQWFQZGWJA-UHFFFAOYSA-N 436.585 4.781 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc1OC 1125225666 FARUTCPJVYILGF-YRNVUSSQSA-N 428.916 4.704 30 10 IJEE CC(C)Cc1ccc(CCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 1125759389 AIPLAJOXWYGLHW-UHFFFAOYSA-N 426.564 4.586 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 1126062850 IGFDAKDWSIRJKP-ILBGXUMGSA-N 426.601 4.980 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C)c1ccc(Cl)cc1F 1129735309 LPJBSABFGGUNHD-QFIPXVFZSA-N 446.865 4.692 30 10 IJEE C=CC(C)(C)C(=O)Nc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)cc(Cl)c1Cl 1131832715 MDNSDMVFOWAWLL-OAHLLOKOSA-N 428.404 4.850 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)Nc3ccnn3Cc3ccc(Cl)s3)o2)cc1 1134454873 HSSMTXCCLLAUMP-UHFFFAOYSA-N 438.896 4.942 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccccc1 1134654933 RWANVSIEQOJPLU-LJAQVGFWSA-N 425.579 4.752 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1136307803 GKBKEJHSPQNUJB-QGZVFWFLSA-N 433.961 4.633 30 10 IJEE C=CCC1(O)CCN(Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)CC1 1197921243 OISHGFADZHEDIW-UHFFFAOYSA-N 428.330 4.555 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1229989877 OJDGUMUGDUEWFV-XZOQPEGZSA-N 441.616 4.852 30 10 IJEE C=C(C)COCCNC(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1230244081 VVGUDEOHGDGLKO-UHFFFAOYSA-N 449.389 4.994 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1230908455 WQJPNGHMJIVMLH-MZMPZRCHSA-N 438.412 4.889 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(-c4ccccc4)nc3-c3ccccc3)n2CC)C1 1256679318 BBNJWKDDTFHOLE-JOCHJYFZSA-N 440.551 4.599 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCN1CCCC 1286304901 JNRJUNKUAVUEAC-FGZHOGPDSA-N 439.673 4.991 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)c1nc(C)cs1 1286433572 HPRIPWCDTAEOIM-FQEVSTJZSA-N 447.608 4.505 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CCOC)CCC1 1286437131 ADDVQFYVKQCFKM-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC1CC(F)C1 1286531776 POOTVPRQIOKVGN-UHFFFAOYSA-N 444.352 4.895 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286589779 DNYOPUYYANXPNO-MOPGFXCFSA-N 431.378 4.740 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1286605183 JFDMXUXJHMRZJN-GOTSBHOMSA-N 437.632 4.629 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(N(C)C)CCCC2)CC1 1286663679 GUEQDDMMZQYBTQ-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](OCC(C)C)C1 1286684518 IPRBWRJYNIWCJL-KRWDZBQOSA-N 436.398 4.643 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ncc(CC)s1 1286684745 MRCJKRBFGPGOCO-UHFFFAOYSA-N 439.585 4.728 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@]1(O)CCCC1(C)C 1286742124 NTZMAEJOXDOQRA-SANMLTNESA-N 433.600 4.941 30 10 IJEE C=C[C@H](CC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1 1290859596 FNCDUJYYKZDWMU-XMMPIXPASA-N 439.603 4.985 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1)OC 1291941107 CINJOBFTGRZECS-RCZVLFRGSA-N 434.588 4.788 30 10 IJEE C=CCC[C@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)c1ccccc1 1295328798 OYTHWSYOVYWETN-INIZCTEOSA-N 426.860 4.577 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1CCCCO1 1300617187 VHQGTLLFTVUNEU-KRWDZBQOSA-N 431.378 4.516 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-c2ccsc2)nc1 1300630576 WOHVPCGRGUVAQN-UHFFFAOYSA-N 443.576 4.509 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1300839253 FIDTWTXFVVEOGN-CYBMUJFWSA-N 434.288 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1300900361 DICOAXUWNLPXQE-XTJBDQBJSA-N 442.579 4.979 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCOC(C)C 1300912902 NZIGUEZCGAFCFG-FQEVSTJZSA-N 449.640 4.610 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1301189774 FVKDQLRPEZHAEP-QGZVFWFLSA-N 428.524 4.834 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cccs2)CC1 1301232434 ZMJIABKETBZXHA-UHFFFAOYSA-N 437.613 4.828 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1301314654 ZNWPEKOJTVJRBX-AVRDEDQJSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1301342602 ZBVDSWSBDVIZTF-UHFFFAOYSA-N 427.556 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnc(CC)s1 1301379175 CUNWPKXQOJNCHL-UHFFFAOYSA-N 435.384 4.893 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@@H]1CCN(c2ccccc2F)C1 1301402332 LSXUWOYCOYIJTL-HXUWFJFHSA-N 437.563 4.895 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(Cc2ccccc2)CC1 1305475918 AJZRFNXLISSVEM-LVXARBLLSA-N 434.632 4.834 30 10 IJEE COc1ccccc1[C@@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1307451553 CRNLHKPIYPTUBY-QHCPKHFHSA-N 446.526 4.889 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1nc(O)c2cc(Br)cc(Br)c2n1 1307950070 RXJCZOGXQUMFPE-TXEJJXNPSA-N 439.151 4.543 30 10 IJEE COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 1309111938 BNSQFVBYKIQPAC-JOCHJYFZSA-N 430.545 4.512 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(Cl)c1 1311258906 QRQQRSJKHUWXMJ-FQEVSTJZSA-N 428.319 4.955 30 10 IJEE C#Cc1ccc(CNC(=O)N(Cc2cc(Br)ccc2OCC)C2CC2)cc1 1312726261 RKNYBTAXTYXFRB-UHFFFAOYSA-N 427.342 4.703 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1)c1ccc(Cl)cc1F 1312941277 DRKXAQBHTICMIO-MSOLQXFVSA-N 425.262 4.729 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 1313219197 LRVOTIWWOKVQMA-DEOSSOPVSA-N 434.584 4.663 30 10 IJEE CC(C)(C(=O)Nc1ccc(OCC#N)cc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 1319902584 XGZHOOAHVZKGIS-DEOSSOPVSA-N 430.504 4.866 30 10 IJEE CCC[C@@H]1CCc2nc(NC(=O)COc3ccc(C#N)c(Br)c3)sc2C1 1352377671 DIFORPBZGFEVRM-GFCCVEGCSA-N 434.359 4.700 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C(=O)Nc2ccc(Cl)c(C#N)c2)(c2ccccc2)C1 1354057125 DQHFCSSKYLAGEV-HSZRJFAPSA-N 425.916 4.729 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 1357784724 MJDPLERYYUEAKR-UHFFFAOYSA-N 441.531 4.941 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1oc(CCC)nc1C 1358877656 INCCEUDBZVHPGV-GFCCVEGCSA-N 448.390 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(Cl)nc1 1358897647 CPCYPOLMDVWZCK-QGZVFWFLSA-N 437.975 4.709 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1358907677 XHYMIMGDBNYIQN-FQEVSTJZSA-N 442.007 4.533 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(CC)C1CCCC1 1358933970 KUYXSGKNGTXVAS-UHFFFAOYSA-N 431.378 4.802 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1359071053 BLPKZIGUUSGFDP-AMZDPNTKSA-N 438.591 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)c1cccs1 1359116100 XWLQJEMWTVIUNQ-DEOSSOPVSA-N 440.613 4.846 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)c2ccccn2)CC1 1359181793 HXWDYFIXMRPICK-UHFFFAOYSA-N 435.547 4.771 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Cn2cccn2)CC1 1359208206 HNFYTOGMHQETTP-LJQANCHMSA-N 438.551 4.637 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccsc1Br)C1CC1 1359248269 HJUMAWCRFOAOCD-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC(C)(C)c1ccccn1 1359258979 IRYDWPLDLFSMBR-UHFFFAOYSA-N 438.579 4.829 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(F)c1 1359263880 OLADMIGZVBKRJM-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1Cc1ccc(F)c(C)c1 1359278123 IXKYPOYDRHWOCZ-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCCS2)C1 1359316157 JGFQCQLNEHYDPQ-IAGOWNOFSA-N 436.984 4.805 30 10 IJEE C=C(Br)CNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 1442589223 DBOAOSWMLOSISA-UHFFFAOYSA-N 446.526 4.928 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)CN(C(=O)OC(C)(C)C)C1 1450632444 ZOZRMAMSVBDVMD-UHFFFAOYSA-N 430.936 4.586 30 10 IJEE C=CC[C@@]1(C(=O)NCC(=O)c2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1452475136 XRNPLNATVNXMSM-NRFANRHFSA-N 441.355 4.638 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)C(C)(C)CN3CCCC3)c2C#N)C1 1460269363 CXLHJDQZOSEYSN-SFHVURJKSA-N 444.689 4.906 30 10 IJEE C[C@H](CC#N)NCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 1460313664 FDKVLJIAMZCFFB-VEMMSOQLSA-N 448.517 4.980 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4s3)CC2)cc1 1463587248 GONFWSPXHFPTHW-UHFFFAOYSA-N 429.467 4.750 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCOC12CCCCC2 1471503525 YQMKWFWXRUBMBM-SFHVURJKSA-N 425.342 4.778 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CCC(F)(F)C1)[C@H]1CCOc2ccc(Br)cc21 1471554366 LPYWJAIYDZTCBB-YOEHRIQHSA-N 441.316 4.743 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 1476103548 XVZYPILSFHDMAX-QGZVFWFLSA-N 430.346 4.804 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 1477916313 WPWYQQIIPCHDKB-FQEVSTJZSA-N 431.305 4.551 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCCc2ccccc21 1479075925 VAJQIBHNZNMUOI-VXKWHMMOSA-N 439.600 4.744 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS2)CCS1 1497716219 CBXUTQSUEMZQEF-IBGZPJMESA-N 427.643 4.824 30 10 IJEE COCC1(CCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@H](C)CC#N)CCC1 1504621209 FCXSMQUKBNNWOO-MRXNPFEDSA-N 431.968 4.552 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1507593893 JDIJLKVCLCNUDO-OAQYLSRUSA-N 436.581 4.703 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)SC 1507643580 WYDSYWNKXUUDBX-MSOLQXFVSA-N 431.005 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1ccccc1F 1507774214 WRVGRQDJZHLSRV-XMMPIXPASA-N 437.588 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(C)s1 1507794117 GNTBTJPVCRCXJS-AVRDEDQJSA-N 438.597 4.941 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1507838052 JQJJHHULACYLRQ-QZTJIDSGSA-N 436.025 4.697 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCCC(C)(C)C1 1507870084 CVPHNEXHSBVMJB-UHFFFAOYSA-N 439.785 4.999 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507921680 XIMQKKOVZXKEAV-FGZHOGPDSA-N 429.653 4.824 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCc2ccccc21 1508036846 CDOXKUCZVQYDIJ-FQEVSTJZSA-N 437.975 4.752 30 10 IJEE C=CCSCCn1c(N2CCOC(C)(C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1508167963 LUCRSZACQDWHBL-IBGZPJMESA-N 426.630 4.671 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1519699371 FRTLXKOTTWWMAF-PMACEKPBSA-N 439.629 4.887 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)nnc1-c1ccco1 1521643093 PDVFWTBEQVDILM-MRXNPFEDSA-N 444.988 4.949 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 1521814343 DQHZSMAGABVGSX-IBGZPJMESA-N 427.957 4.663 30 10 IJEE CCOC(=O)CN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(C)cc1 1524228848 CLJURFDRWCRLRN-UHFFFAOYSA-N 428.488 4.656 30 10 IJEE C=CC[C@H](CC)NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 1524814827 BTFNMFQZHWUDDF-PZGSVQSZSA-N 436.552 4.659 30 10 IJEE N#Cc1sc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)nc1Cl 1525765508 GCMFLIFPFYGNNI-UHFFFAOYSA-N 427.898 4.749 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)C(F)(F)F)cc1 1525856487 OZWPZAHIODISAU-KRWDZBQOSA-N 439.315 4.728 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c1 1528138540 QBDMCMOUEWSRPX-UHFFFAOYSA-N 440.499 4.733 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1528714109 DHTAAEKEJRXPAQ-KNQAVFIVSA-N 433.379 4.670 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC2(c3ccccc3F)CCC2)nnc1-c1ccco1 1530810102 GZTYKRHTUCXXSV-UHFFFAOYSA-N 440.544 4.584 30 10 IJEE C#CCCOc1ccc(C(=O)N(C2CC2)[C@H](C(=O)OCC)c2ccc(Cl)cc2)cc1 1531266693 MWEPTIWWFWJZEC-QFIPXVFZSA-N 425.912 4.651 30 10 IJEE C=CCC1(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCCC1 1532897401 WIGOCNLCCMWLKZ-UHFFFAOYSA-N 433.390 4.697 30 10 IJEE COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1533635131 ATNWHTZHALDTTL-GOSISDBHSA-N 446.482 4.667 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)c1ccc(C(C)C)cc1 1534584517 BUHFQVCKTOECJU-UHFFFAOYSA-N 431.330 4.885 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccccc2OCCC(C)C)CCCN1C(=O)OC(C)(C)C 1537099712 XVWCGQJWEIPSOL-VWLOTQADSA-N 428.573 4.521 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCC(F)(F)CC1 1539238690 BIASWJQZTQUQSX-KRWDZBQOSA-N 446.929 4.970 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCCO1 1539547203 VDIZXNIJNYWRAQ-FGZHOGPDSA-N 443.389 4.577 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1539581057 WBILVIKYAFQGBG-DOPJRALCSA-N 446.349 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCCCCC2)nc1 1539660063 QYQVNHASUGZNHI-UHFFFAOYSA-N 431.588 4.566 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1ccc(OC)cc1 1539686383 RXNAHILFMOGRGM-UHFFFAOYSA-N 430.350 4.647 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1539733970 XDLFQOUAPOPLGT-SFHVURJKSA-N 441.988 4.853 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[C@H]2C[C@H](F)C2)CC1 1539855892 LRCCNALNXYBEOU-SAABIXHNSA-N 449.368 4.914 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncn(C)n1 1539945974 YFWHRPKPPUBEQO-UHFFFAOYSA-N 434.375 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC1CC(OC(C)(C)C)C1 1540058376 DYSUBOUONCCOGO-UHFFFAOYSA-N 428.577 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1ncc(C)s1 1540147132 IZUFZKAFNJFKLX-CRAIPNDOSA-N 429.615 4.952 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC1CCC(OC)CC1 1540187173 LYDCWIXKXDJMSC-AOMIVXANSA-N 428.577 4.553 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 1542970681 XNSKUIJGSNQXLI-ZIAGYGMSSA-N 432.735 4.710 30 10 IJEE C=CC1(CC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1544973672 HLSFOTFPLCCVOA-HSZRJFAPSA-N 434.580 4.942 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1545472718 GBAYYNKKWDHQSY-RHGYRFJNSA-N 433.560 4.775 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)CCCCC1 1555434990 BCJKNIMQEWPKEX-UHFFFAOYSA-N 429.515 4.649 30 10 IJEE C#CCC1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)CCCCC1 1557523765 NQZKUDIZJKKPJP-IRXDYDNUSA-N 430.511 4.512 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 1558704610 XEUICTBUUSUUHT-IBGZPJMESA-N 430.957 4.512 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CO)c2sccc2C)cc1OCC 1560364867 BDDOONDAHABRGJ-INIZCTEOSA-N 426.376 4.606 30 10 IJEE CSc1ccc([C@@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)N(C)C)cc1 1562831280 FJKCVIOHQRHCRD-HXUWFJFHSA-N 426.586 4.882 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCc2c(Br)cc(C)cc2C1)C(C)C 1563454156 ZUXAGYMTQSHEJI-NRFANRHFSA-N 434.422 4.524 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 1565727489 DXBOAAKXJSLMCT-UHFFFAOYSA-N 442.581 4.705 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1566160859 JRLVADHFBOTCJG-UHFFFAOYSA-N 430.361 4.642 30 10 IJEE C=CCC[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1ccccc1 1583036836 IXLGKOHPXWWVQK-IBGZPJMESA-N 430.346 4.784 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)C1CC(C)(C)NC(C)(C)C1 1585373400 FXURYVVMLDPKBM-GOSISDBHSA-N 444.060 4.960 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(Br)sc1Br 1585640714 AHZXNORHIASTRK-VIFPVBQESA-N 428.149 4.978 30 10 IJEE C=CCCONC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1586065542 DBNVOSLCZSXVCS-UHFFFAOYSA-N 430.570 4.639 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cccc(F)c1 1587587048 WVSDGONTCGWACX-IRXDYDNUSA-N 438.572 4.807 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C1CCN(CCC)CC1 1587807970 LPGZLHSLLOTNJC-QFIPXVFZSA-N 437.632 4.759 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1587809079 YQYLZUGEMCJQOX-IBGZPJMESA-N 431.625 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C)[C@@H](C)CC 1589151222 VCIHAYLTNVNMKH-AXHZCLLHSA-N 444.023 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCC(=C)C 1589243319 ZXQLEBCBZCEFTR-AREMUKBSSA-N 436.600 4.739 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC1CCCC1 1589559527 SNDCHFRTUVJLON-RCZVLFRGSA-N 438.616 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2Cc3cccc(Br)c3C2)nnc1C(C)(C)C 1589579096 JOLDIVOZKHFSNS-QFBILLFUSA-N 445.405 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(OC)CCCCC1 1589641383 ILCNMLVNQXSDKV-UHFFFAOYSA-N 434.588 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1589669572 ZTVWPZQXIRKGJF-VWLOTQADSA-N 444.627 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1589675529 FIQNBALJNOCAAF-DLBZAZTESA-N 437.613 4.969 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1593600592 TVORGZCGAHZWDG-CYBMUJFWSA-N 448.320 4.901 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1594430229 KMAPWVCKDOEZNN-DHLKQENFSA-N 436.600 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1594461090 IIKVHWNDCNXCIQ-HKUYNNGSSA-N 430.618 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC(C)C)CC1 1594478111 NQVJYLCTWCATNC-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1594492220 VOMOUZYOGDOFPH-UHFFFAOYSA-N 437.632 4.869 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccco2)C1 1594572739 JPEWBWKNEWVEGA-INIZCTEOSA-N 444.377 4.989 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1594760725 OBGNPOBOEHJTHO-UHFFFAOYSA-N 446.599 4.798 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1ccccc1-n1ccnc1 1595161549 DMZKWPNLDSMHHX-UHFFFAOYSA-N 432.597 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1ccccc1 1595185053 LZAXVAPIKUZCIF-UHFFFAOYSA-N 426.362 4.847 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)cc(OC)c1 1595185523 ZVVHCJPZBVPQEA-UHFFFAOYSA-N 442.361 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1CCC(OC)CC1 1595204576 FYOHRNIOKPJMML-UHFFFAOYSA-N 433.556 4.984 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCc1c(C)noc1C 1595239535 MKAAMWZJSYCDTB-HSZRJFAPSA-N 435.572 4.602 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1595243635 CTFFNZYONOSPQR-SIKLNZKXSA-N 425.602 4.559 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 1597565218 LIAWZFQSKWETOG-NRFANRHFSA-N 443.588 4.937 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1613105012 XYHUBOYJDGXMHA-HOTGVXAUSA-N 447.670 4.895 30 10 IJEE C=C(Br)CSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCC3 1613263681 HHKDEHGTQTWTCE-UHFFFAOYSA-N 449.395 4.945 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCO[C@H]1C(C)C 1613811774 DCCBTTCFKJGPRS-IZIIKQMZSA-N 439.604 4.609 30 10 IJEE N#Cc1ccc(CN(C[C@@H]2CCC[C@H](C(F)(F)F)O2)c2ccc3nc(O)[nH]c3c2)cc1 1615984255 OTVLKPPWKYYYOD-FXAWDEMLSA-N 430.430 4.647 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C(=O)OC(C)(C)C)c1ccccc1 1620620180 CBTSUEQWDULJAY-VGSWGCGISA-N 439.581 4.549 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc3c(c2)ncn3C)cc1OCC 1621070325 BQERLURBNIZLSN-UHFFFAOYSA-N 430.346 4.589 30 10 IJEE CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1622091376 VDSCMGZJLLVWTH-UHFFFAOYSA-N 438.210 4.854 30 10 IJEE C=CCC[C@H](NC(=O)/C=C\C(=O)NCc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1623620599 KRIIZZPKHUDGQV-NALLFNBYSA-N 446.469 4.710 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1623831637 KABAXCORFCMLQZ-QGZVFWFLSA-N 431.467 4.973 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1 1625078355 WLVKMLXNGHTDHF-MBSDFSHPSA-N 439.397 4.583 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)Cc1cccnc1 1627675220 FOCDTVVWRNOBSO-NRFANRHFSA-N 443.975 4.689 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)cc(OC)c1OC 1627861974 HZNCVHQPJVRHJV-NRFANRHFSA-N 440.437 4.848 30 10 IJEE C=CCC[C@H](C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 1629537057 PBSIFXFOOITRBO-QHCPKHFHSA-N 436.987 4.772 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccc2)nc2n1CCCC2 1629673194 MNGHBJJCRMXNLW-QGZVFWFLSA-N 444.963 4.861 30 10 IJEE C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1630132341 FEMFXTLQOMEOAI-RXVVDRJESA-N 439.408 4.598 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 1631504698 STNVVOCTKGCAIW-PXNSSMCTSA-N 435.996 4.532 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2cc(OC)ccn2)CC1)c1ccc(C(F)(F)F)cc1 1633467271 SCISUOGOLFQBOV-HXUWFJFHSA-N 448.489 4.648 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(Br)ccc1OCc1ccccc1)C(=O)OC 1638400875 AULKDTVCLMIPIV-LJQANCHMSA-N 446.341 4.656 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc(Nc2ccccn2)n1 1639660685 COYGWTRGMWFVQG-CYBMUJFWSA-N 431.443 4.855 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1639676737 RIZABLFXRLQZBR-YIONKMFJSA-N 438.341 4.827 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1649385799 XEAKWZKOEUVWPJ-BJKOFHAPSA-N 432.564 4.805 30 10 IJEE C=CCn1c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2sc3c(c2c1=O)CCC3 1651629572 UURSTEKOWODIEA-UHFFFAOYSA-N 433.942 4.987 30 10 IJEE CCN(C(=O)OC(C)(C)C)C1CCN(c2cc(Br)c(C#N)cc2F)CC1 1652342593 PVLIVHCRQUARIQ-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3cnc4ccc(C)cc4c3=O)c2C#N)C1 1652600884 HMEPNKFPLGHQFN-MRXNPFEDSA-N 448.592 4.818 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccccc3F)C2=O)nnc1-c1cccc(Cl)c1 1656402799 BPQISWBJSMHFSH-SFHVURJKSA-N 428.920 4.821 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCCN2C2CCCCC2)cc1OC 1657270041 POOVEBDGMAOPCA-LJQANCHMSA-N 437.422 4.909 30 10 IJEE C#Cc1cccc(NC(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)c1 1657677542 CJHHHBPMSQMSCG-OAQYLSRUSA-N 444.316 4.902 30 10 IJEE COc1ccc2oc([C@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)c(C)c2c1 1662017184 BEOZPWVKTXCDBX-LBPRGKRZSA-N 438.427 4.680 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 1667955767 DEGYOWQFJVYBPK-XLIONFOSSA-N 447.988 4.604 30 10 IJEE COc1cc(NC(=O)NCc2ccc(C#N)c(Cl)c2)c(Cl)cc1Br 1671895560 ANCREMVJYFEFPD-UHFFFAOYSA-N 429.101 4.958 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)c1ccc(Cl)cc1F 1673320959 HIEZKEHYPAICSK-VXKWHMMOSA-N 431.939 4.543 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCN1CCN(c2cccc(C)c2)CC1 1675532441 SBSIHCFJFLVDCU-UHFFFAOYSA-N 447.048 4.620 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1)C(C)C 1675580304 FQAORPVBHIZKKZ-FQEVSTJZSA-N 444.670 4.946 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CCCC1(C)C 1676045241 SVCVKYQXRKQAIZ-IBGZPJMESA-N 431.378 4.911 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1 1678468950 GDRHAJGWZOYWAW-DLBZAZTESA-N 429.483 4.839 30 10 IJEE C=CCC[C@H](NC(=O)NCCNC(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1 1678917186 WCDIQPYQIDVPBK-FQEVSTJZSA-N 433.474 4.750 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)c1ccc(F)c(F)c1 1680280505 OROPAEORVIGANZ-NYHFZMIOSA-N 435.465 4.949 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 1680461357 JRHCVMFRCMZQGS-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE C#C[C@H](NC(=O)N1CCOc2cccc(Br)c2C1)c1ccc(Cl)cc1F 1683516926 LSBPFGWAOAGADC-KRWDZBQOSA-N 437.696 4.520 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)CCC(C)C 1690006433 PBLZRTKCHLQYJE-RUZDIDTESA-N 438.641 4.536 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@](C)(CC)O1 1690069278 KYXBOBLFXROPID-KKSFZXQISA-N 431.378 4.515 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1Cc1nc(C(C)C)cs1 1690089995 SJBVUJVMEUZBMI-UHFFFAOYSA-N 434.544 4.680 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCc1nc(C)c(C)s1 1690091328 PPDUPFPGUAKUQJ-UHFFFAOYSA-N 425.577 4.572 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(CC(C)C)CC1 1690098465 JXVZVWDXADSRDW-UHFFFAOYSA-N 445.405 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)SC 1690195938 SGSFSERJQLSTBM-BFUOFWGJSA-N 437.382 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCCC1(C)C 1690271527 SJTDYXCHPUCSGX-VWLOTQADSA-N 426.605 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(OC)cc1 1690272677 IVJPYBTYVZZBGZ-FGZHOGPDSA-N 426.605 4.850 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690440153 ZQURAVLIUORKPS-PMACEKPBSA-N 444.645 4.721 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1690455773 NVENUDRSMROWPA-SJLPKXTDSA-N 429.565 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690556183 OTWUYXAOZDYIER-XUZZJYLKSA-N 445.567 4.523 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCN1CC 1690569259 DXEZAVKFXRLQTR-QFIPXVFZSA-N 448.590 4.855 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](C)c2ccc(OC)cc2)C1 1690696461 CGJHEGWPBQZLGC-AUSIDOKSSA-N 447.583 4.632 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCC[C@H]1C 1694238871 IBPMHXMQCOPNMU-QPPBQGQZSA-N 434.632 4.824 30 10 IJEE CSc1ccc(F)cc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@](C)(C#N)C1 1698376762 FGJWZKNSYKRKCC-QHCPKHFHSA-N 436.560 4.688 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705483008 LVTXXSZQJVSPOL-ZWKOTPCHSA-N 447.549 4.585 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1705592701 RERONAJKIYSPPN-UPVQGACJSA-N 430.596 4.687 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H]1C 1705682460 ALBBJWSBIDEERG-OAHLLOKOSA-N 435.366 4.640 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)C1CC1 1705694804 FMLBMXJDGBGNOG-IFXJQAMLSA-N 449.368 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccco1 1705696411 GPTQWHXZBROQRH-SVMVAKDDSA-N 440.519 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C)[C@H](C)C1 1705710602 YTBISVYQVXOENO-SJHHWCTQSA-N 438.616 4.883 30 10 IJEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCC(C)=C(Br)C1)c1ccccc1 1705743283 SLSYLQYPTRVTJB-IBGZPJMESA-N 443.389 4.765 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)SC)CC1 1705772599 VXRUBALAMFWSQI-KRWDZBQOSA-N 435.638 4.648 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(CC)CC2)CC1 1705781616 DMYKUDIFAOWFHW-HXUWFJFHSA-N 443.636 4.985 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)NC)CC1 1705800915 NTZOEPHMCVQDOU-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE C=CCCCCn1c(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nnc1C(C)(C)C 1705809888 GZJFASYXWRZHIB-OALUTQOASA-N 431.625 4.768 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(Cl)nc1 1705869991 LIOGZVPOOSCNNN-INIZCTEOSA-N 427.911 4.832 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCC)cc1 1705909691 FPOVFXRRKJDUKM-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](C)C2)(N(C)C)C1 1708024858 FOCDSSQHFFHRKP-YRKFHGTDSA-N 434.632 4.810 30 10 IJEE CCC(O)(CC)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1708817914 BXMPKLOIWPQAAF-UZUQRXQVSA-N 441.645 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)c1nc(C)cs1 1722302981 MNGFAXIQSZQGPU-ZBFHGGJFSA-N 429.977 4.537 30 10 IJEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1722337782 APWNDDGXPHQKQX-HXUWFJFHSA-N 449.624 4.716 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C(C)C 1722338295 MWIPCNQUFFWJMV-IBGZPJMESA-N 431.378 4.658 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C(C)C)C(C)C 1722344835 SYTZXDNIWVASCY-UHFFFAOYSA-N 436.629 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(F)cccc1Cl 1722401763 JHQCAKFMANYQSD-DYESRHJHSA-N 442.966 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1ncc(C)s1 1722516139 UJJBGWNLWGXFLO-QGZVFWFLSA-N 436.585 4.700 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1722535610 CWNSQQBXLDRSAU-WOJBJXKFSA-N 426.605 4.982 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](CC(C)C)N(C)C)CC1 1722573970 FESUABALDHBBGN-TZIWHRDSSA-N 443.611 4.936 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCSCC(F)(F)F)CC1 1722577111 XMVZUTIPNMSVQU-UHFFFAOYSA-N 426.508 4.652 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722605909 XEOMHKGRIBRTOY-HXUWFJFHSA-N 443.661 4.665 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1cccc(C)c1 1722682432 IWIGKEVCYCYLIB-GOSISDBHSA-N 426.362 4.882 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 1722707776 YUKUKNLKHIVBOX-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)C1 1722722508 PJQWVRJGJIKRAD-ZFGGDYGUSA-N 445.007 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(F)(F)F)cs1 1740536901 OKFJBIPHAPCGAU-NSHDSACASA-N 425.867 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1cccnc1Oc1cccc(F)c1 1740539296 CBBKWRXJNSLBEZ-MRXNPFEDSA-N 431.471 4.679 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC1(C)C 1740728609 YXJLRWHPZXFUMW-OPAMFIHVSA-N 443.389 4.754 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740811527 VKKPSABFUCZJHK-HXUWFJFHSA-N 428.964 4.617 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCCCC2)CC1 1740828874 BAOYHLAHRNCGHP-UHFFFAOYSA-N 429.996 4.543 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN(C(C)C)C(C)C)CC1 1740829339 UBZSOCCKIMDCJI-UHFFFAOYSA-N 425.621 4.831 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccccc1OC 1740857616 SPSZVSAZGRQXSH-FQEVSTJZSA-N 446.555 4.632 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1740891885 LQMAFPAPDMYJFT-UYAOXDASSA-N 427.593 4.698 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC(C)C)c1ccccc1OC 1740902153 ZTVDMFBHMRGWSH-FQEVSTJZSA-N 441.963 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1C 1740924082 GAYDDFCOUXNXSF-IWFBPKFRSA-N 430.618 4.692 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1740937701 MMKMRZSYYGFZFP-ZFGGDYGUSA-N 428.577 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCSC1(C)C 1740939405 WZRAKYGJXNHHEB-OAHLLOKOSA-N 439.000 4.908 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1sccc1C 1748651473 MXDXKVLZVHNKHM-ZDUSSCGKSA-N 435.416 4.840 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1748707631 HYTOQVUZLKAYJP-FQEVSTJZSA-N 443.473 4.673 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC(F)(F)F 1748738930 UDRLJNPCBNTXIL-UHFFFAOYSA-N 433.247 4.649 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1748755215 GHOQFOJTCIWDSW-LJQANCHMSA-N 441.570 4.586 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)c1ccco1 1748912151 ALYXGWXSPUERME-QFIPXVFZSA-N 440.956 4.773 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(-c2ccsc2)nc1 1748930429 KYCRSAKKXHLMLL-UHFFFAOYSA-N 449.530 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@@H](SC)C1 1749125839 YRQWHAMRDYEWJH-NNWRFLSQSA-N 442.629 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1749126886 HPKJXUCSWRYHJR-REWPJTCUSA-N 440.588 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](SCC)C1 1749127400 LLHILWYXHULFSO-VWPQPMDRSA-N 441.645 4.742 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](CCOC)C1 1749256743 BGJRPNHSXNKQHT-SFHVURJKSA-N 442.947 4.732 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1COCCO1 1749383697 DNGBMDYNUFOQOQ-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749449376 MBVDBYOJRXGSSK-AREMUKBSSA-N 449.599 4.727 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1)C(C)C 1749557879 NQOVLZLQOPGTPT-DNVJHFABSA-N 441.664 4.845 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCc1nccs1 1760146247 HSAPTAXLSCTHRZ-UHFFFAOYSA-N 448.621 4.926 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760316532 TYFOUDSWCYXDPK-OZMCLOMFSA-N 448.970 4.847 30 10 IJEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1760372212 BJDQOZAWVWSRJH-GOSISDBHSA-N 449.864 4.689 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760410572 JJVBVMNVQHRTIS-NHCUHLMSSA-N 447.631 4.652 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H](CC)N1CCc2ccccc2C1 1760487046 IESJWBLKTGASAP-QFIPXVFZSA-N 435.641 4.932 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCCS1 1760490816 KPZLAZQNECYHKF-INIZCTEOSA-N 449.418 4.790 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)c1ccco1 1760564003 LLHMTDQTLAMCKV-GOSISDBHSA-N 434.569 4.840 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCCC1 1760688365 GQHSKVOBJKUTBN-HNNXBMFYSA-N 428.993 4.505 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)s1 1761772115 GMUYSKBXDDYUQG-UNMCSNQZSA-N 435.597 4.884 30 10 IJEE CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccc(C(=O)O)c1 1772737508 LXZUJRWZNYCGDI-PTOVGEMASA-N 449.444 4.787 30 10 IJEE CCCCOc1ccc(/C=C2/SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 1772763429 PYTWQXQWUPNNQF-ZOAXWHFDSA-N 440.521 4.806 30 10 IJEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(C(=O)OC)cc3)nc21 1772765323 NRLSFVJEBADSCN-UHFFFAOYSA-N 430.512 4.792 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)C(=O)O 1858944463 CTOXFNNVXOABPH-OYHNWAKOSA-N 445.475 4.551 30 10 IJEE CCOC(=O)c1sc(NC(=O)CCc2ncc(-c3ccc(F)c(F)c3)o2)c(C#N)c1C 1859735949 DTDJLCBHGPMWBO-UHFFFAOYSA-N 445.447 4.609 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1 1861052413 GAFYUBOLUWKBJW-JOCHJYFZSA-N 430.976 4.863 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861220641 VMRIIFDNIYSOKC-OZXSUGGESA-N 429.649 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416111 CTYNKJJILPFUQM-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2C(=O)O)c1 1862493563 SQCYNKRNTHKVGB-QHCPKHFHSA-N 441.483 4.780 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862505458 CSMCSIDRJMCHNI-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F 1862510542 BBZXWGJUOVMLEX-GOSISDBHSA-N 432.835 4.682 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(F)c2)cc1OC 1862571842 PYKVJSJVJWBIKA-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccccc1F)c1cccc(O)c1 1862591367 XGOMOJVLWQJNAW-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862592446 DBIWSVCUMBLEJA-HSZRJFAPSA-N 442.515 4.863 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2ccccc2C#N)=C(c2cc(C)ccc2C)C1=O 1863408328 CVXNBECRDXOBLJ-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2Cc2ccncc2)c(C#N)c(C)c1C 1870258923 HZWVACNMKVXJDY-UHFFFAOYSA-N 448.592 4.811 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN1CCOCC1 1870606255 GCWPEELJIGYYJP-UHFFFAOYSA-N 442.600 4.629 30 10 IJEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870813234 CKPOMRGCEMGUNA-UHFFFAOYSA-N 439.899 4.944 30 10 IJEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871251469 GKOSNSGNDQQMNI-UHFFFAOYSA-N 442.563 4.921 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc5c(c4)OCO5)cc(C)c3C2=O)cc1 1871429937 UYYBMGNURBLIHK-RMORIDSASA-N 443.455 4.666 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871968255 GURMCPMBBCIHMD-QFIPXVFZSA-N 446.588 4.981 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1cccs1 1872488739 QDVMLDSJJGMZSG-SFHVURJKSA-N 426.991 4.550 30 10 IJEE O=c1c(Cl)c(N/N=C/c2ccc(Br)cc2)cnn1-c1ccccc1Cl 1873529434 SMDOVDMAMWGDPB-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccn1 1874192615 JQGMFMDRKCZMQZ-ZVHZXABRSA-N 429.977 4.949 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2c[nH]c3ccccc23)cc1OC 1874200084 JYYFTMUPCMNDRY-WGOQTCKBSA-N 449.580 4.946 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccc1C 1874210360 ROMSTJDQTBBGMT-RVWJGDDESA-N 445.592 4.653 30 10 IJEE CCCOc1ccccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCCO 1874271775 LOTYOZRQBHTOCG-NLRVBDNBSA-N 446.576 4.778 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874274255 PSQVIFACUORRRY-WORIPGKHSA-N 443.617 4.566 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1O 1874280009 ZFXNSIOKPWKYRD-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(Cc2ccc(OCC)cc2)nnc1SCC=C 1874304301 RHDAZYUXEXDVLR-XIEYBQDHSA-N 434.565 4.993 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2-c2cccs2)cc1 1874422754 CBPRUTATCSXAAB-OEAKJJBVSA-N 439.610 4.738 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccc(F)c1 1874424052 RQXNRMMAZZCVNF-OEAKJJBVSA-N 445.589 4.769 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@H]1CCCO1 1874448350 ZHTNVJJXDANXFG-TYLRVVQJSA-N 432.908 4.802 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)c(OC)c1 1874467083 QNSFEXXWMUZLTH-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)c1 1874493057 UEBGLIUYLKUGQX-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2F)c1 1874508921 CBTLGFQIDAQIKO-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE NC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1Br 1874615471 ABBJWCDEWCURPI-ORCRQEGFSA-N 429.097 4.516 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OC)cc1OC 1875128926 BMCCMJAKITXDFA-FMIVXFBMSA-N 432.472 4.757 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1 1875129454 CWEYAVQVPBAFJD-MDWZMJQESA-N 433.460 4.613 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC(=O)CCOC 1875173242 FJMFODJIYIYAPZ-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)sc(C)c1Br 1963880768 CXBHIYYWDQTVRD-AWEZNQCLSA-N 431.396 4.603 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2nc(C(F)(F)F)ccc2C#N)C1 2006276721 NSXGDCJKFQBACP-UHFFFAOYSA-N 432.446 4.598 30 10 IJEE C[C@H]1CN(c2cc(Br)ccc2C#N)C[C@H](C)N1C(=O)OCc1ccccc1 2006297262 QZUUVDOKLPLSLW-HOTGVXAUSA-N 428.330 4.557 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@H](c4ccsc4)CS3)COC2)cc1 2006825553 MKKOJHXJBKZMSW-QHCPKHFHSA-N 449.645 4.953 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2024621411 VGNUHXBDALKOFO-DEOSSOPVSA-N 431.577 4.853 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C(F)(F)C12CC(NC(=O)OC(C)(C)C)C2 2026164119 PVJAWGLKYRYFAA-GLCVTWPJSA-N 436.543 4.676 30 10 IJEE Brc1ccc(N=C2N[C@@H](CC3CC3)CS2)cc1I 2029989229 JXQGNVSLLGHEPX-JTQLQIEISA-N 437.144 4.546 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2037376217 NEIHWYHYAJJCON-QUCCMNQESA-N 445.560 4.512 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCC 2063091039 YNTVESZZKARNEN-KBPBESRZSA-N 435.765 4.842 30 10 IJEE N#Cc1c(C(F)F)nn(-c2cc(C(F)(F)F)cc(Br)n2)c1Br 2080310837 YMOGZODWPVMAKS-UHFFFAOYSA-N 445.971 4.620 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCNc1ccc(C#N)c(Br)c1F)C(F)(F)F 2106019338 GRDISYRMRZASKX-NSHDSACASA-N 440.235 4.717 30 10 IJEE C=CCC1(NC(=O)c2ccc(C)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2174762054 WTUUARIRNYQTDK-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2235718954 FCLHOLWFYQXHKQ-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)C#Cc1ccccc1Br)C2 2235726323 IPHVRTPVRMBGAX-ROUUACIJSA-N 432.358 4.938 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 2235745638 DQGSWASQMHRQBL-IEBWSBKVSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](O)C#Cc1ccccc1Cl 2245956812 ASLXGZVROSRNDM-RTWAWAEBSA-N 429.944 4.553 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2247979701 PFXJGVKCPVXLKR-HRAATJIYSA-N 436.557 4.709 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@@H](O)C#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2260937096 MVZWSOFKEWLPGF-DEOSSOPVSA-N 440.628 4.881 30 10 IJEE CCN(Cc1cccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267095268 DDRBNKGTECTMJY-RTBURBONSA-N 444.381 4.864 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)[C@H]2CCC[C@H]1CC(N)C2 2285761367 VKHYPSYXNHSCOE-WVSLAOEZSA-N 434.378 4.990 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@@H](N)C#CC1CCCCC1 2289688174 RYLALOIIJDPNIP-PMACEKPBSA-N 435.406 4.796 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](C(=O)C#Cc3ccc(Br)cc3)(C2)C1 2296217142 REMMQRSEGQRXMS-HTAPYJJXSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CC(=O)C#Cc2ccc(Br)cc2)cc1 2296222475 SBVMVFGGAOSBLV-UHFFFAOYSA-N 428.326 4.637 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2296268384 DCACBRANXDOLKY-DFQSSKMNSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2296293651 LWNQNIFOWZDPRB-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296297247 WTEBZGCBMJUHDN-XKGZKEIXSA-N 435.406 4.672 30 10 IJEE C=CCN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2296705937 ARRLRGBYALXTRO-UHFFFAOYSA-N 426.950 4.644 30 10 IJEE C=CCC1(NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2302809174 BDHQLBYZKZAHFQ-MOPGFXCFSA-N 437.625 4.615 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2322687499 OCLRNNHDZSALPN-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCCCCCCCCOc1ccc(C=NNc2nc(C)c(CCO)c(O)n2)cc1OC 2323273853 JHRLNSBYTTZUKV-UHFFFAOYSA-N 444.576 4.609 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1OCC 2323557535 YIKNGRBXKJVKNN-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)ccc3C2=O)cc1 2323627219 YFGJKJWYCIMJRA-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)OCc3ccccc3)c2C)C1=O 2324224501 VHEGSNHETMXEFM-UHFFFAOYSA-N 430.456 4.742 30 10 IJEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2324305030 SFKRKJJUCIAXNG-CYBMUJFWSA-N 431.282 4.784 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 2325703346 LMOQVNKGQYNEEX-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccccc1O 2325817412 IOWZPNZJTACGSY-UHFFFAOYSA-N 440.569 4.863 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2ccccc2Cl)cc1[N+](=O)[O-] 2326532850 DBEUIMBNYIHKLA-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE OCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2326622162 PAHSGULYZXCUBD-UHFFFAOYSA-N 441.560 4.664 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1C(=O)O 2327675811 HANXDMORADBOLN-UHFFFAOYSA-N 430.917 4.593 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328075290 DEANZFOCNJEUJK-UHFFFAOYSA-N 427.917 4.785 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2N=Cc2ccc[nH]2)CC1 2328140494 GCMLQVODOMDTKE-UHFFFAOYSA-N 430.622 4.571 30 10 IJEE Oc1ccccc1C=Nn1c(Cc2ccccc2F)nnc1SCCc1ccccc1 2329750375 CLNSOHJFDCJQQI-UHFFFAOYSA-N 432.524 4.931 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)ccc1O 2331208173 OOYHVDHEUNYOQC-UHFFFAOYSA-N 438.484 4.956 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)[C@@H]1CCCO1 2331761500 YHAIQILLMZFWQH-FQEVSTJZSA-N 430.884 4.646 30 10 IJEE CC(C)[C@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579405 VRLMWMSGCFEEQM-IBGZPJMESA-N 446.397 4.997 30 10 IJEE C=C([C@H](OCCCN)c1sc(Cl)cc1I)C(F)(F)F 2340977325 DSCRXWGATUCDRN-VIFPVBQESA-N 425.641 4.531 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2cccs2)n1)Nc1ccc(Cl)cc1Cl 21079369 RDLQWIPGRJXDQC-DJKKODMXSA-N 441.369 4.740 30 10 IJEE CCOc1cc(/C=N\Nc2nc3ccccc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 32929314 VVPIDPIALFCRRH-OYKKKHCWSA-N 431.452 4.895 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2ccc(C)cc2C)c1C 32971580 RDLVKDFHTCBWME-UHFFFAOYSA-N 446.599 4.601 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3)c(OC)c2)SC1=S 33636258 ONHUGKHSWPHXRR-HKWRFOASSA-N 427.547 4.540 30 10 IJEE COc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 35444972 FFOYBHOIJQCWDR-FLSVEMGKSA-N 439.511 4.916 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc(OC)cc2O)C1=O 36258511 YWUSUZASZOJMMB-LICLKQGHSA-N 431.897 4.598 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4cccnc4)cc(C)c3C1=O)cn2C 41293436 QCKGRUDPMWDPPU-RMORIDSASA-N 440.455 4.726 30 10 IJEE COc1ccc(Br)cc1/C=N/Nc1ccc(I)cc1 59159641 FFNDTJLGUNKADV-RQZCQDPDSA-N 431.071 4.508 30 10 IJEE CN(c1nc2ccccc2n1Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95074406 RLWYFCOWHBCPQZ-OAQYLSRUSA-N 445.567 4.792 30 10 IJEE COC[C@@H]1CC(=O)C=C2C(Cl)=C[C@@H]3[C@@H](CC[C@@]4(C)[C@@H]3CC[C@@]4(OC(C)=O)C(C)=O)[C@]21C 96030601 GXMMOJSSTKHQSR-BVIDIURUSA-N 448.987 4.624 30 10 IJEE in-vitro CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](CO)COP(=O)(O)O 146975893 OTPODXRPJGBQEK-SQUSKLHYSA-N 435.542 4.610 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1 170049975 ANURMWWTLBGXJO-HSZRJFAPSA-N 427.456 4.761 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)c1 170118835 MTZFKCZVWCHFAK-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(OCC)c1 170149173 XKKBMWGFTJVJHB-HSZRJFAPSA-N 435.520 4.658 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1C 170173648 IRTUBWDHHAYHES-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)ccc1Cl 170176096 AWERAQFBCUHOSQ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1 170230764 FPQJXMGEJXEORH-HSZRJFAPSA-N 428.488 4.647 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2)c1 170241336 DQADXDLBIYVKNB-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1C 170274024 CNWVEZSXFCIEHK-JOCHJYFZSA-N 431.488 4.992 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCO2 170296862 YNBXKJYRQPDSOR-HSZRJFAPSA-N 447.462 4.565 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 170326137 WXRHTIQAENQEND-HSZRJFAPSA-N 429.472 4.599 30 10 IJEE CC(C)COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccncc2)c1 170420199 WMRIWGSCBOFEFG-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE N#CCCN(Cc1cccnc1)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1 212416070 LCAXOQBHUZANCA-PFONDFGASA-N 433.515 4.890 30 10 IJEE COc1cc(N=Cc2cc(Br)cc(OC)c2O)ccc1NC(=O)c1ccco1 254591843 QBTDUISEGRAYKM-UHFFFAOYSA-N 445.269 4.768 30 10 IJEE COc1ccc2c(c1)/C(=C1/SC(=Nc3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 254704752 XBPBUYZLGJSDDQ-ANMKJNDUSA-N 427.485 4.826 30 10 IJEE COCCN=c1scc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(C#N)cc1 254820190 YXZFFZSQFHPKQX-UHFFFAOYSA-N 431.348 4.824 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc(OC)c1OC 465822375 ZGQDNMLYQCMOBD-INIZCTEOSA-N 437.323 4.672 30 10 IJEE Cc1ccc(C(=O)N[C@H](CC(=O)Nc2nc3c(cc2C#N)CCCC3)c2ccccc2)cc1 484148942 SIOQFPGKEGZPMA-XMMPIXPASA-N 438.531 4.640 30 10 IJEE C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 507681624 DTYCRTUULIZBQJ-IIBYNOLFSA-N 430.533 4.620 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3cccc(C(F)(F)F)c3)C(C)C)cc2C1=O 515372106 KJHKZOVZSUWGFJ-UHFFFAOYSA-N 430.426 4.538 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(OC)c(C#N)c1 532619100 UFYWWZRMJWOWCL-UHFFFAOYSA-N 426.929 4.869 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 549685258 HXXMQXGDIZJNLU-FYYLOGMGSA-N 433.604 4.521 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 559030151 ZATJNKAXBVQOCL-UHFFFAOYSA-N 434.544 4.522 30 10 IJEE CCc1ccc(S(=O)(=O)OC2CCC(NC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 586508118 RUCGSKIUBSCEQG-FRKPEAEDSA-N 447.984 4.749 30 10 IJEE COc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)cc1OC 619817176 MLFCTOAGPWMMMQ-UHFFFAOYSA-N 439.519 4.519 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 698373674 LXCHLJRTXQXGFN-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698379583 XVFFWMQEXRJSAT-KOSHJBKYSA-N 429.561 4.963 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](c3ccccc3)OC[C@H]2C)c1=S 727431728 XLEBDMRPFNPJQZ-XMSQKQJNSA-N 436.581 4.695 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3Cl)n2)CC1 727562758 FQTDTPSPARWXRD-HVPFBLEYSA-N 445.972 4.940 30 10 IJEE C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nnc1-c1ccccc1OC 735230481 MESVFMRJBBTFHV-UHFFFAOYSA-N 426.929 4.988 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C3CCC(NC(=O)C4CCCC4)CC3)c2)s1 739595040 CYXQTBUAUWAZCF-UHFFFAOYSA-N 435.593 4.768 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N(CCC#N)c1ccc(F)cc1)Cc1ccccc1 743752380 GDPBFKXEWKCQLS-HXUWFJFHSA-N 425.504 4.598 30 10 IJEE C#CCN(C(=O)c1sc([C@@H](C)OC)nc1C)[C@@H]1CCOc2ccc(Br)cc21 749390697 XCGAUJNTWNEHIK-CZUORRHYSA-N 449.370 4.521 30 10 IJEE C=CC[C@H](NC(=O)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1)c1ccncc1 785559369 HFOOEQKJFXEMOH-JTHBVZDNSA-N 433.577 4.906 30 10 IJEE C=CC[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccncc1 788227199 ZSUSFHUQMPVLLD-MOPGFXCFSA-N 444.963 4.828 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(F)cc1 812894901 QSTAGZIMNPDNQR-IERDGZPVSA-N 425.504 4.585 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1OC 1124306770 JKXTZQKGVPCPIP-BENRWUELSA-N 434.517 4.739 30 10 IJEE C=CCC1(CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)CCCC1 1128861937 GGKJNESQBBCVEG-JOCHJYFZSA-N 431.533 4.587 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)COc1ccc(Br)cc1 1129587940 CFFKSAKGDQJUHJ-UHFFFAOYSA-N 441.119 4.794 30 10 IJEE N#C[C@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC12CCCC2 1135586440 ICVDWUKFABAJPI-NRFANRHFSA-N 429.929 4.553 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(COC3CCCCC3)c2)c1 1136473463 OIOJFBDIKNKCCX-UHFFFAOYSA-N 425.550 4.585 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 1137848316 CUSBTCRQOZVXPS-LJQANCHMSA-N 438.490 4.718 30 10 IJEE Cc1cc(Sc2ncccn2)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N 1142795136 GNOAVJFTDOBCCE-UHFFFAOYSA-N 431.521 4.555 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C 1142886726 NAJOAPIVYBBHOK-UHFFFAOYSA-N 440.316 4.666 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 1143836179 YJBYAHJAVXCFLH-UHFFFAOYSA-N 434.580 4.778 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3)C2=O)nnc1-c1cccc(OC)c1 1165782261 SNBSJYYCSSFQDC-IBGZPJMESA-N 440.956 4.691 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 1191025061 AHCVXDFEBXMLIR-JOCHJYFZSA-N 440.952 4.757 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 1196503595 LGFJYSUBSMFGAZ-UHFFFAOYSA-N 427.382 4.854 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(c2ccccc2)(N2CCCC2)CC1 1198203425 ZDKZXNCCNRWWQB-JOCHJYFZSA-N 437.653 4.738 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)cc1Br 1205019535 BUZQSINXBPTTHU-LJQANCHMSA-N 428.330 4.736 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccc(C(F)(F)F)cc1 1230693982 OPOISJSJBSNBFO-APWZRJJASA-N 425.495 4.611 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1OC 1278338818 OJGOUIOREMUMBG-WEVVVXLNSA-N 447.362 4.929 30 10 IJEE C=CCC1(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCC1 1279400185 PBMIHCJIKBTWNR-UHFFFAOYSA-N 425.451 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)C(C)(C)C 1286272467 AQISVCUYKDPHFV-VQIMIIECSA-N 437.613 4.896 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)Oc1ccccc1F 1286305504 NLGBDHCKMKQOOM-JZJXAQOMSA-N 442.579 4.651 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCOC1CCCCCC1 1286363510 UGKXKQGMXNIHGL-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCC[C@@H]1C 1286402900 DTBZEAUAPBJAQD-SFHVURJKSA-N 444.410 4.589 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1N(C)CCCC1(C)C 1286454565 KLHGOHCVMZCURW-HSZRJFAPSA-N 449.574 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC[C@@H]1CCO[C@@H](C)C1 1286528643 JEFYUGAKTLMZHR-LZCXECNNSA-N 436.600 4.617 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccc(O)cc2)CC1 1286690511 LCOOZPLQGRFBHW-UHFFFAOYSA-N 434.588 4.586 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@H](C)C1 1286738847 GETBCJNNXLRGSW-CTNGQTDRSA-N 436.556 4.863 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1Cc1ccc(C)s1 1286741438 MRLQEEYMMNYLAS-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCC[C@@H]1CCCCO1 1286742621 RDXQSZMYOSHNOK-BJKOFHAPSA-N 449.599 4.933 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)CC(C)(C)C2)cc1 1286796690 OQGFPMGDYXEVAS-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2CN(C)C(C)C)C1 1286809513 TZEOBFGAEMQUSX-XMMPIXPASA-N 437.632 4.606 30 10 IJEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCCC2)s1 1290488610 GGCPSEAFYJCJMQ-UHFFFAOYSA-N 436.585 4.710 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)s2)cs1 1292726128 BVRBNYAULSNSND-UHFFFAOYSA-N 434.594 4.890 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1300384875 WVXVAQHGNGVUCC-BJKOFHAPSA-N 430.600 4.888 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCc1scnc1C 1300807682 DMBDOSXEBSKWIZ-JOCHJYFZSA-N 425.989 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](CC=C)c1ccccc1 1300808413 UZKJKCCAYBIXPN-PXDATVDWSA-N 431.609 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)c(Cl)c1 1300901892 VESBIHYSLBCKHX-JOCHJYFZSA-N 436.959 4.562 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1300930797 LZYJVGJAFHWNMM-UHFFFAOYSA-N 440.267 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1301074651 FYPISGWFCKRCBD-PXNSSMCTSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1301147114 AXBALGLLRSASOH-RBUKOAKNSA-N 447.624 4.616 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CCC)C(=O)C1)c1ccccc1 1301163731 MFGDPOUSDLLMNG-JOCHJYFZSA-N 447.583 4.655 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)C1)c1ccccc1 1301168886 VXMPYJGJGSJTMH-FPOVZHCZSA-N 449.624 4.866 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1301270749 NKOUBVPMMSWWEF-UHFFFAOYSA-N 443.979 4.788 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1301605882 CGFQQZKMZAOPEV-UHFFFAOYSA-N 435.597 4.652 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)s1 1304338281 GXPMUMHJFHSXTC-UHFFFAOYSA-N 432.553 4.671 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(C(F)(F)F)c2)[C@@H]1C 1305072137 ADENPIJMNUDXJK-LSDHHAIUSA-N 426.446 4.514 30 10 IJEE N#Cc1nc(N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)ccc1Cl 1306997465 GKLZVHQLTHZLMT-UHFFFAOYSA-N 428.319 4.838 30 10 IJEE C=CCn1c(SCC(=O)NCCCCCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307237475 ANLZMKZANOUYOL-HNNXBMFYSA-N 433.643 4.557 30 10 IJEE C=CCn1c(SCc2ccc(C3(C(=O)OC)CC3)cc2)nnc1-c1cccc(OC)c1 1307312143 JAWPMQFMJGPQEU-UHFFFAOYSA-N 435.549 4.637 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(F)c(F)c1 1311610906 ALRRSMYTVCIJNS-KXNSMUHISA-N 447.501 4.834 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 1313001289 JKRHCKLKVQFSIS-AEFFLSMTSA-N 435.366 4.585 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)C#N)C(C)C 1314056597 AXTKXBDURIWAIP-APWZRJJASA-N 448.409 4.755 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 1354544388 AWUCDKQKHBLBQS-AUSIDOKSSA-N 443.513 4.650 30 10 IJEE C[C@H](CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)n1cc(Br)cn1 1356175733 BXXFCSVTILGTOQ-GFCCVEGCSA-N 441.354 4.934 30 10 IJEE Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)nn1-c1cccc(C#N)c1 1357926655 HPXSEAYKYMUJEI-UHFFFAOYSA-N 437.290 4.797 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1ccc(Br)s1 1358938479 BNPINXKUPSEFSU-SFHVURJKSA-N 443.414 4.956 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1ncc(C)s1 1358998821 UMYFWOKREKMJQV-IBGZPJMESA-N 449.649 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN(CC(C)C)C1 1359108854 GBCZMAQRAIEBRM-FQEVSTJZSA-N 440.592 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(OC2CCCC2)c1 1359112224 CBGOEWWDLZIBKG-NRFANRHFSA-N 425.577 4.687 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1359118245 XHXVORIOSCOIJI-CQSZACIVSA-N 430.350 4.818 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCCC2)CC1 1359124042 DBFLRUOBAZANFT-UHFFFAOYSA-N 437.632 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359184585 SYLZZUIIGIIYCG-IYBDPMFKSA-N 432.410 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359186741 RBGROHOMUJXQBM-QFIPXVFZSA-N 432.616 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359191157 PPHJOPHUBBOLAD-UHFFFAOYSA-N 449.643 4.504 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCCC)CC1)c1ccccc1 1359193484 FDIUKJBPULVKQC-LADGPHEKSA-N 448.615 4.824 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359225961 RIOTUBUNVIUCRG-LJQANCHMSA-N 437.588 4.803 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1c(C)oc2ccccc12 1359233311 ZKAFZNPJANEMKU-UHFFFAOYSA-N 440.345 4.771 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCSC1 1359265156 ZTWGZCSMCVTYLA-IBGZPJMESA-N 425.627 4.661 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1359269683 LNUJJYRXZMTGCN-DEOSSOPVSA-N 444.627 4.764 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1SC 1359277452 MTIJSRGGSFSOCR-KRWDZBQOSA-N 442.560 4.519 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359285811 NWSAKCWKQWTXKI-JOCHJYFZSA-N 434.588 4.902 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc(C)s1 1359287095 MNTZFJNYDJCEGN-UHFFFAOYSA-N 431.606 4.585 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC=CO2)C1 1360783083 CEDMITWQHUNOTO-IFXJQAMLSA-N 448.390 4.592 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2ccc(OCCN(C)C)cc2)cc1 1435106474 HAGZCJYZBPUZJI-UHFFFAOYSA-N 443.547 4.572 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c(OC)c1 1436452810 XKOQAFSPGLDLRB-OPAMFIHVSA-N 449.469 4.810 30 10 IJEE CCN(CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)OC(C)(C)C 1443151734 GIVHXMAWAGSKEU-UHFFFAOYSA-N 443.931 4.991 30 10 IJEE C=CCC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1N)c1ccc(C(F)(F)F)cc1 1446566479 JMHQMLSFCBEGHX-FQEVSTJZSA-N 428.458 4.970 30 10 IJEE C=CC[C@H](C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)c1ccccc1 1455516833 NKGXYWKXFHDBMM-BZSNNMDCSA-N 426.479 4.508 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)CCCN1C(=O)OC(C)(C)C 1459760231 GMAVKUZSNLISOM-QFIPXVFZSA-N 446.548 4.937 30 10 IJEE CC1(C)CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@](C)(C(F)(F)F)O1 1460429023 AZTUKNHENPIDPD-QFIPXVFZSA-N 432.442 4.709 30 10 IJEE CN(Cc1ccccc1OCc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1460619113 CAIPFZGWWDBJDU-RUZDIDTESA-N 425.532 4.765 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(-c3ccc(Br)cc3)c2)c1 1466508475 DZQSDHMOXOBZNO-UHFFFAOYSA-N 448.320 4.858 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 1466546783 TUZJQQLQTBSKNN-IBGZPJMESA-N 435.549 4.835 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C 1466817334 ZEVUXUJPSWGWDQ-KBXCAEBGSA-N 425.367 4.977 30 10 IJEE C=CC1(CC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CN(C(=O)OC(C)(C)C)C1 1468208684 FTBBOIUKSIJPEA-QGZVFWFLSA-N 449.389 4.578 30 10 IJEE C=C(C)COCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1469330597 YKXAPOBMTLJOLX-UHFFFAOYSA-N 438.959 4.927 30 10 IJEE C#C[C@H](NC(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1)c1ccc(Cl)cc1 1470662183 GHSJITAZYYPLMP-NRFANRHFSA-N 430.907 4.702 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1470667134 PKQJATVUGFAURO-ROUUACIJSA-N 428.813 4.595 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1OC 1474090975 QOFFHWDDMJJARW-GOSISDBHSA-N 439.314 4.601 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1507576070 XKFWYOHPAXFANF-ICSRJNTNSA-N 444.048 4.700 30 10 IJEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)c1cccs1 1507756095 SPUJZJGKUQGKSJ-QGZVFWFLSA-N 435.622 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCC1(F)F 1507762963 GXNJCSCVAWMNPM-FDDCHVKYSA-N 444.526 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)c1ccco1 1507803208 FMNABCNCQSHIJS-MFEFFIJZSA-N 442.510 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)CCC)CC1 1507896561 HYZGGUUQIPBBAG-JOCHJYFZSA-N 447.421 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1507923510 XKZMFSLLPDHEEK-UHFFFAOYSA-N 434.632 4.873 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1507927887 FZZOTCAHDLVKMZ-DEOSSOPVSA-N 426.568 4.754 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@@H](C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1507929950 SWTZWUWMYYEEPO-KNZHSQOXSA-N 438.616 4.771 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@H](C(=O)OC)C1 1507943689 FVRDSHHJACDWRL-KRWDZBQOSA-N 440.544 4.778 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCCO1)C1CC1 1507989273 YZRBIXNBUZXRNH-INIZCTEOSA-N 435.341 4.571 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1nc2cccc(Cl)c2n1C 1508009312 ZJCJDJFFBHJZKZ-UHFFFAOYSA-N 426.977 4.683 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)cc(OC)c1 1508022285 ZEQUOUZKWMDBJL-NHCUHLMSSA-N 428.552 4.571 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(CC)C1 1508026775 WOUPWVQRHYJEJC-IBGZPJMESA-N 439.991 4.768 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)cc1 1508034989 YTEGZOFNKFENHW-LJQANCHMSA-N 426.948 4.506 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(C)s2)cc1 1508103178 CLLFORIZVGMQQW-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC[C@H]1C 1512987562 ATCRLSKGMAOYIK-YZUZCNPQSA-N 434.632 4.812 30 10 IJEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)SC)cn1 1515766584 FPTFHHSFERXPMZ-UHFFFAOYSA-N 437.617 4.591 30 10 IJEE C=CC[C@]1(C(=O)NCCOc2cccc(C(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1521977200 VHXBCIHEAGTRNX-RUZDIDTESA-N 430.589 4.825 30 10 IJEE O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cccc2c1OC(F)(F)O2 1524739025 GMQOLWQICRLPCS-UHFFFAOYSA-N 425.256 4.923 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)c1ccc(Cl)cc1F 1528107762 FHRTVQGXERJJMG-HXUWFJFHSA-N 425.866 4.787 30 10 IJEE Cc1nc(O)c2ccc(C(=O)OCc3c(F)c(F)c(C(F)(F)F)c(F)c3F)cc2n1 1528997151 HXYZDBVTWHWEGR-UHFFFAOYSA-N 434.267 4.576 30 10 IJEE C=CCCCCCN(C)C(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1532191039 AIHHXYFUEASHCE-IBGZPJMESA-N 432.561 4.575 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1 1533831778 KGLGJEYAGJHKBN-NRFANRHFSA-N 430.545 4.769 30 10 IJEE C#CCSc1ccc(COC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 1538704635 UCDLKZUSPKSMNI-DEOSSOPVSA-N 443.524 4.711 30 10 IJEE CCc1ccc(N2C[C@@H](C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2=O)cc1 1538704868 BTIIRHBNLLSUTN-FQEVSTJZSA-N 429.545 4.518 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(COC)CC1 1539056028 QIFXOCBGPIBSIQ-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1539124453 PAEJWMUOCKTKFV-UHFFFAOYSA-N 437.607 4.514 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCC1(COC)CCCC1 1539390792 VQTHKDROQDVXGD-UHFFFAOYSA-N 447.558 4.716 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cscn1 1539504215 BNAJYWBSAQQVOB-UHFFFAOYSA-N 438.409 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC=C(C(C)(C)C)CC1 1539638240 YIZWCJFVCOGNIO-PGRDOPGGSA-N 441.645 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1(O)CCOCC1 1539659251 PMKYCCFXTOUSIU-UHFFFAOYSA-N 439.387 4.586 30 10 IJEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1539723390 PIMACHLMLYBFSU-HXUWFJFHSA-N 439.560 4.615 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539842669 XRUPVHXGDFJKKF-TZIWHRDSSA-N 437.588 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1539921461 XDPZVOLKSZVXPP-UHFFFAOYSA-N 428.596 4.792 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1539963380 SGBHEXMHHNNECN-HXUWFJFHSA-N 447.624 4.712 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(CCC(C)(C)C)CC1 1540855461 VCRVQWNFDVTCQQ-UHFFFAOYSA-N 438.439 4.513 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCSCc2ccc(C)cc2)C1 1540890114 ZWDNVVPMBXITAD-JOCHJYFZSA-N 449.624 4.672 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(Cl)ccc2C1 1540913097 HYECNPLJEUQMRO-UHFFFAOYSA-N 425.989 4.784 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCCOc1ccc(Cl)cc1 1544824848 RPQJFHMDDWMKPT-UHFFFAOYSA-N 425.916 4.632 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1546125333 BTDNQNKBKAKBLM-YLJYHZDGSA-N 443.979 4.771 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(S)nc3c2)C1 1557406628 BXURKFDASGFZLB-GOSISDBHSA-N 433.577 4.720 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)CC1 1558422089 QOYWVEWMNDELQS-UHFFFAOYSA-N 438.955 4.917 30 10 IJEE COc1cc(N[C@@H]2CCCN(c3cc(Br)c(C#N)cc3F)C2)cc(OC)c1 1559136762 CIYRYPPWWJZGGI-CQSZACIVSA-N 434.309 4.558 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 1561117895 QSNHHVYTCDJCKE-ZIAGYGMSSA-N 429.426 4.993 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1)c1ccc(F)c(F)c1 1562572725 RLZWAXHUEFVZPO-NRFANRHFSA-N 440.450 4.684 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)N1CCc2ccccc2C1 1562673316 FVDPSXRZOFGOIL-IBGZPJMESA-N 426.520 4.919 30 10 IJEE COc1cccc([C@H](CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)OC)c1 1562787841 FHTQSFFJXHUODJ-NRFANRHFSA-N 447.539 4.559 30 10 IJEE Cc1ccccc1Oc1ccccc1CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1563972167 CEOZXFJXGKPRLO-UHFFFAOYSA-N 426.520 4.691 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 1567637442 SEHVIEDUPFVVAC-UHFFFAOYSA-N 434.393 4.575 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 1569724624 AXXSTXZTHCGDHN-QZTJIDSGSA-N 449.979 4.526 30 10 IJEE C=CCC1(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)CCCCC1 1584137780 RWEYOFHIDIAVRJ-OALUTQOASA-N 440.481 4.715 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1586782337 IJCYDZNYMNYBLV-VOTSOKGWSA-N 435.364 4.541 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(C)nc(N2CCCC2)c1 1587562608 RDRLVBFDOPDIHW-ZJSXRUAMSA-N 442.611 4.630 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](c1cccnc1)C(C)C 1587663227 VCICCOHVRLUULM-REWPJTCUSA-N 426.568 4.574 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(Cl)s1 1588166302 CSTXUJUCZASPMQ-UHFFFAOYSA-N 426.998 4.715 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1588453048 YYNMMCDUPFYAMF-AVRDEDQJSA-N 445.007 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1ccsc1)N(C)C 1589608350 GLPFJPHFSFKPFE-NRFANRHFSA-N 425.602 4.721 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1589742008 COXCTRUDVDRZRR-FQEVSTJZSA-N 425.577 4.534 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 1593653070 NWPJWMIRGPASNG-XZOQPEGZSA-N 443.632 4.749 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1594581780 BFDOHIVHWQCSOZ-KRWDZBQOSA-N 433.959 4.589 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@@H](C)CC 1595490452 RUYIOCYHHNOFEG-AWEZNQCLSA-N 431.993 4.598 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1 1595687311 UVPFEXKJQYSXIV-UHFFFAOYSA-N 449.494 4.522 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1Cc1ccnc(OCc2ccccc2)c1 1596822006 GHXVGHXWFHCGEK-LJQANCHMSA-N 430.556 4.554 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCc4c3cccc4C(F)(F)F)CC2=O)cc1Cl 1598353673 GYHCGUXVWXYGBY-AWEZNQCLSA-N 447.844 4.563 30 10 IJEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccsc2)s1 1612086131 BIDIHDZVWSQTNY-UHFFFAOYSA-N 435.578 4.845 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1612756052 HDJWGFWGDPDFET-NZSAHSFTSA-N 447.505 4.944 30 10 IJEE CCOc1cc(/C=C2/S/C(=N/N=C/c3ccccc3)N(Cc3ccco3)C2=O)ccc1O 1615300620 XLRMRLOXSHCZMZ-WTGMLGSZSA-N 447.516 4.891 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1616516817 OXYSKJKNJXFFJB-HKUYNNGSSA-N 433.390 4.567 30 10 IJEE CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 1616628593 FUDVNFHFBRWVHP-MHZLTWQESA-N 428.532 4.941 30 10 IJEE COc1cccc(/C=C(\CC(=O)Nc2c(C#N)c(C)nn2C)c2nc3ccccc3s2)c1 1617078486 BNFJGWOLVBYWQD-GZTJUZNOSA-N 443.532 4.788 30 10 IJEE CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1618803937 AGKFFHYDBAFYJP-NFBKMPQASA-N 426.900 4.856 30 10 IJEE CO[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)CC#N)C1CC1 1618973874 HLZXDUYGAWSWMJ-CZUORRHYSA-N 429.977 4.977 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3ccccc3)c3cccc(F)c3)n[nH]2)c1C 1622230751 MSFMJCREJRPVAU-XMMPIXPASA-N 429.499 4.735 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)[C@@H](Sc3cc(F)ccc3F)c3ccccc3)C2)cc1 1624808849 DMTBFSRFOJJTEQ-QHCPKHFHSA-N 436.483 4.960 30 10 IJEE COc1ccccc1[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)N1CCCC1 1628258786 FSKHUGZPFRZCIA-HSZRJFAPSA-N 441.531 4.926 30 10 IJEE C#CCN(C(=O)c1cc(NC)ccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1629238972 XEVHTUPZPYVROE-SFHVURJKSA-N 433.733 4.743 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3nc(-c4ccccc4)cs3)n[nH]2)c1C 1632970799 AFDGQALRLDXBHN-HNNXBMFYSA-N 432.553 4.691 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1 1633838044 JSWFABXZNPSKBY-FSSWDIPSSA-N 449.929 4.607 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCCCN1CCCC1 1635689331 PTGLVCICAZDXBH-UHFFFAOYSA-N 426.374 4.552 30 10 IJEE C=CCC[C@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)C(=O)OCC 1636820777 AOJMYIGBURWNOX-NBGIEHNGSA-N 436.577 4.811 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 1638565745 ZFRYJWBOWVCGCE-IRXDYDNUSA-N 442.478 4.692 30 10 IJEE C#C[C@H](Nc1ncc([N+](=O)[O-])c(C)c1Br)c1ccc(Br)cc1 1642727824 LSEAIBJGEMTAEE-LBPRGKRZSA-N 425.080 4.610 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)s1 1643591154 XWOXWJAMASTFII-SWLSCSKDSA-N 445.050 4.665 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cccc(OCc2ccccc2Br)c1)C(=O)OCC 1644563876 VLSAVTFUMBMARR-FQEVSTJZSA-N 446.341 4.656 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H]1CCN(c2ccccc2Cl)C1 1656610395 SCGCOXHIQUSABN-MRXNPFEDSA-N 433.777 4.731 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1658063610 IFLBXMOHUOCUCA-PGRDOPGGSA-N 427.570 4.768 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)c1 1658984625 YZLDFFVVQJJEOH-OAQYLSRUSA-N 433.346 4.519 30 10 IJEE CC(C)[C@@H](CNS(=O)(=O)c1ccccc1CC#N)Cc1ccc(Cl)cc1Cl 1660208570 CIGIRXILWULTNJ-QGZVFWFLSA-N 425.381 4.853 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2)c1 1667013545 FESSYUMRNIDIHH-QGZVFWFLSA-N 448.429 4.556 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Cl)c1OCCOC)c1ccc(Br)cc1 1667962190 FFSOZBIVYWZBGD-INIZCTEOSA-N 437.721 4.624 30 10 IJEE C#CCN(C(=O)NCCO[C@@H]1CCCC[C@H]1C)[C@H]1CCOc2ccc(Br)cc21 1674376017 HGJICDPKEVZFED-LSTHTHJFSA-N 449.389 4.513 30 10 IJEE C[C@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(Cl)c(Cl)c1 1680933130 ATSHODAHRCRNAH-HNNXBMFYSA-N 431.367 4.890 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1681943422 JGNGLWLVUVFMNJ-RBBKRZOGSA-N 443.588 4.904 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 1682352197 IESHQEYHFRNPDA-RPWUZVMVSA-N 443.934 4.711 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1F 1682367661 PMWUHHKKLWEDLT-DLBZAZTESA-N 449.231 4.858 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c1 1683339245 PSEZXWARGMHJNX-QFIPXVFZSA-N 439.600 4.627 30 10 IJEE C#CCN(C(=O)NCC[C@]1(C)C[C@]1(F)Cl)[C@H]1CCOc2ccc(Br)cc21 1683566462 YGPINGHRHLHJFT-KFKAGJAMSA-N 443.744 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCOCC(=C)C 1690213010 YSXXSIPUWMISKL-JOCHJYFZSA-N 449.382 4.749 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1Br 1690262796 ODHJKGLINXRZFN-UHFFFAOYSA-N 426.362 4.862 30 10 IJEE C=C(C)COCCn1c(N2CCSc3c([nH]c4ccccc34)C2)nnc1C(C)(C)C 1690320103 JPFYLWFENNNGAK-UHFFFAOYSA-N 425.602 4.762 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@@H](COC)C1 1690337051 AYCJWLDPVDZUHV-GOSISDBHSA-N 448.995 4.746 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690353019 XCJWECBFNGXXLR-DYESRHJHSA-N 432.996 4.903 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSc2ccccc2)CC1 1690366338 XLDQULVAKQXIHA-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1690442560 WAJIHQFAKUJOGC-CEMLEFRQSA-N 444.645 4.555 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1)c1ccccc1 1690446938 HUYICMNGARJCPW-BJKOFHAPSA-N 449.643 4.866 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1cccc(C)n1 1690519555 NPXAWDIHDCUHPP-UHFFFAOYSA-N 426.362 4.584 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1(OC)CCC(C)CC1 1690602588 SCRIKRGSUGFGGC-UHFFFAOYSA-N 448.615 4.509 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@H]2C)CC1 1692369394 CXOTXXUBHYSPRQ-LEWJYISDSA-N 434.632 4.810 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2CC2)C1 1692842951 GCDRRANXGBMMEV-HXUWFJFHSA-N 432.341 4.777 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CSCCS1 1694240210 FLSVLQGAZCBDBW-LEWJYISDSA-N 441.670 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCOc2ccccc21 1705506114 RCYPJJJEZHMPRA-SQXWHWBNSA-N 436.600 4.611 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1705528735 QFDCBWOXMNBFDZ-DEOSSOPVSA-N 448.567 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1Cc1cscc1C(F)(F)F 1705599789 YGNPCTLTSAXEBE-UHFFFAOYSA-N 446.473 4.600 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCC1(C)C 1705602177 KZJHWSYMCBKBTE-FQEVSTJZSA-N 436.625 4.868 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCc1nnc(C)s1 1705671009 RRFMMDUTPWXSIP-OAQYLSRUSA-N 444.967 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1705716469 LXHRTAHUMHGKML-XMMPIXPASA-N 426.536 4.528 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)CCC(C)C)CC1 1705783146 UUZNRZCQANOURM-XMMPIXPASA-N 432.559 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@@H](C)c2cccc(O)c2)nnc1[C@]1(OC(C)C)CCOC1 1705802607 PRTIWVCNOPSJHJ-DFBJGRDBSA-N 442.604 4.824 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSC(C)C)C1CC1 1705854563 LWZDXOHFGHDASN-GOSISDBHSA-N 449.665 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H](c2ccc(C)cc2)N2CCCC2)C1 1705915740 LSXNUMNHOXJPGB-GMKZXUHWSA-N 437.632 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCOc1cccc(C(F)(F)F)n1 1722282453 AXYVVNGAIHMNEF-AWEZNQCLSA-N 449.864 4.549 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCCN1CC 1722405946 SJYWIDNDHJZEKY-DEOSSOPVSA-N 444.627 4.687 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1noc2c1CCCC2 1722415196 JQJMQVTZRITVFM-UHFFFAOYSA-N 447.583 4.529 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722427225 RUNMOJIPEOIGRV-UXHICEINSA-N 434.506 4.557 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)=C(C)C1 1722530716 IDQBSBDXRUOWCA-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1722549953 BXLOKMSIADTDCE-KRWDZBQOSA-N 437.769 4.639 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1722568385 KDJWMXDYAUILAV-QFIPXVFZSA-N 435.572 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C 1722590214 AVIPSXKCINEDSV-SFHVURJKSA-N 434.588 4.656 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722595809 VSQZSRKBKLPQHG-JYFHCDHNSA-N 449.599 4.728 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1722596930 BTPLSTYYPCOTNN-GOSISDBHSA-N 430.618 4.577 30 10 IJEE CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1726899294 HNZSELNMMXQXDX-AZUAARDMSA-N 444.624 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1740533915 DYXVXSLMEBNUKP-AHNRGXKQSA-N 436.600 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1csc(CC)n1 1740541169 TVABUGQRABIZGC-QGZVFWFLSA-N 447.564 4.642 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H](OC(C)C)c1ccccc1OC 1740555440 IUCODRMQOSVTPC-AVRDEDQJSA-N 438.597 4.563 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740568514 IGWJXZBVJZJRPW-FQEVSTJZSA-N 448.640 4.651 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(C)(F)F 1740679758 JFCUTRAVRBXLOJ-UHFFFAOYSA-N 445.539 4.508 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740785726 XRVLFFRTLQDGOB-SFHVURJKSA-N 432.515 4.704 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C2CCCC2)CC1 1740787393 CGVFHHIIGKWDHF-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1Cc1nnc2n1CCCCC2 1740856342 RXSCYUPBWARAPN-UHFFFAOYSA-N 437.567 4.633 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740860319 ZSKCUOFZTMTPAH-ROUUACIJSA-N 428.577 4.810 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(c2ccccc2)C1 1740882683 UVQHPRVQKIXVDW-UHFFFAOYSA-N 435.959 4.880 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCC[C@H](C)C1 1740915719 QAJJLDSWEDPZTA-LEWJYISDSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H](C)N1CCC[C@H](C)C1 1740921251 OMYMWGPUYIIRDD-LEWJYISDSA-N 427.612 4.929 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740949596 MEQQEKPTEDPIOC-VAMGGRTRSA-N 430.980 4.614 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC(C)(F)F)C1 1740975128 SGUKYYNLGQLEFV-MRXNPFEDSA-N 441.320 4.534 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)CN2CCCCC2)C1 1740976494 XBVIOWCBZJGEPQ-SIKLNZKXSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccoc1C 1740995691 UVWCCDUYKFXJDM-UHFFFAOYSA-N 439.585 4.604 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCOC2)C1 1740998263 LKIBOINKJFBCRP-FQEVSTJZSA-N 439.412 4.788 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1748641502 HYVCUOZHPLATJZ-RYLXDESZSA-N 428.964 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC1CCCCC1 1748876377 CQKPEUMWGXNFOK-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1748907055 FRXVLOMMKLDJGN-QUCCMNQESA-N 433.625 4.909 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)OC1CCCC1 1749255646 FZNXEZPHZRFNLM-UHFFFAOYSA-N 441.757 4.779 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749260050 IELULGIVVBWHFI-INIZCTEOSA-N 436.368 4.694 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749367717 ZLAYUXKJYAIFLS-FQEVSTJZSA-N 425.625 4.663 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C)=C(Br)C1 1749393230 OSGKGAUWQTWPLV-UHFFFAOYSA-N 445.361 4.909 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC)C1 1749403180 YDENPUFPIMTTRY-WOJBJXKFSA-N 431.625 4.985 30 10 IJEE COCC1(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)CCC1 1749409801 ADHWLWQDCUGUDU-KRWDZBQOSA-N 427.618 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(F)c1 1749553141 ORRVHHQZQIHTSK-UHFFFAOYSA-N 436.560 4.581 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C)n(C)c1=O 1749564797 ZGOIGCYTWIRQAO-UHFFFAOYSA-N 449.624 4.509 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccoc1C 1749688948 AHOQMAWHUDMKIE-UHFFFAOYSA-N 449.580 4.785 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1749746620 JASAAPVZAQFLQC-RTBURBONSA-N 436.984 4.805 30 10 IJEE Cc1nc2ccccc2n1CCn1c([C@@H]2CCCCO2)nnc1N(CCC#N)CCC(C)C 1751794875 DHQJYAVLMRENNJ-QHCPKHFHSA-N 449.603 4.644 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(O)(CCC)CCC 1760226953 PAMDOUCYMMGNIM-SFHVURJKSA-N 428.646 4.922 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H](c1cccs1)N1CCCC1 1760237818 WQBLFUXTCJYVDG-QFIPXVFZSA-N 449.624 4.524 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1760310783 CXAFVGYOMUAJOA-IBGZPJMESA-N 447.421 4.853 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1cccs1 1760323602 FGLPFRAWJBPNAN-CVDCTZTESA-N 438.597 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1760415354 WLCXTFVMLBSPCS-UHFFFAOYSA-N 445.549 4.636 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(F)(F)F)C1 1760415355 WMXOGSDDPVEYMY-IBGZPJMESA-N 447.505 4.651 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](CC(C)C)NC(=O)OCC 1760458751 SCIYKSQNPNWQPH-INIZCTEOSA-N 437.947 4.521 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNC(=O)OC(C)(C)C 1760458800 UQNNRTIOOXEQMA-UHFFFAOYSA-N 440.375 4.789 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cn1)C1CC1 1760470261 ZFOWRUYMTJOZFM-UHFFFAOYSA-N 434.338 4.506 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCC1CCOCC1)C1CC1 1760471340 SRLRWQXAJHAGSE-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1sc(C)nc1C 1760490994 PLBWLGWMJVSRBB-UHFFFAOYSA-N 431.512 4.847 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCC)C1 1760539874 XHNNMVBZFKILOW-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCCC1 1760698197 DJVJMKVORBWRGW-KRWDZBQOSA-N 447.052 4.694 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cccs1 1766583624 BUKVSOSSBKZLLH-RXVVDRJESA-N 434.613 4.950 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1(C)CC1 1769840994 BTDVTEBXSLISIB-UHFFFAOYSA-N 427.618 4.832 30 10 IJEE COc1ccccc1C=NN=C1S/C(=C/c2ccccc2O)C(=O)N1Cc1ccco1 1772757945 VTFAZDMGOIIVJO-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)nc1C 1859757448 TYUXCHIQISLSPW-UHFFFAOYSA-N 429.448 4.695 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2Cl)cc1 1862476810 OTZULHAETOGJKC-OAQYLSRUSA-N 435.911 4.514 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)ccc1O 1862480227 AOZJYNWUTVDAMG-XMMPIXPASA-N 443.499 4.796 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862535930 MXUJHPHYXXZNPS-HSZRJFAPSA-N 435.520 4.961 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(F)c(Cl)c2)C1=O 1862758354 FPXZCVWSUGLMKN-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862859648 YYDXGSGAFHJGTK-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1C 1862880349 DIGVXQREPUAVKL-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863495298 MHOFMSFCMUQRRJ-UHFFFAOYSA-N 446.510 4.783 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1863615162 MNUZJHVVVLGXTJ-JOCHJYFZSA-N 426.601 4.984 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1ccc(Cl)cc1 1864104781 CBORLCWWTZFRSC-LJQANCHMSA-N 445.007 4.807 30 10 IJEE COc1cccc([C@@H](C)CC(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)c1 1867113587 QNZWDVAAHJATQK-AVRWGWEMSA-N 427.504 4.557 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871009331 PYOFFYFWUGWPOL-UHFFFAOYSA-N 441.575 4.819 30 10 IJEE CC(=O)Nc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)c1 1871251650 PLUVCIMZAMHJNV-UHFFFAOYSA-N 444.535 4.525 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 1871374622 UQMQIERXZNBECB-XKZIYDEJSA-N 429.428 4.976 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871438616 IDOVZQVZRHPCLZ-FMCGGJTJSA-N 445.446 4.970 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450919 VINVIGOKOARXAP-PXNCGERRSA-N 430.416 4.617 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872279689 LMBGLFXFIGHTSG-XMMPIXPASA-N 442.625 4.858 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(OCC)cc1 1872525984 NJLFOGANYZMDRE-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE CCc1sc([C@H](C#N)C(=O)CN2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(OC)c(OC)c1 1872799218 FFFWBILHIQIYMR-XYJFISCASA-N 441.597 4.544 30 10 IJEE COc1ccc(N2CC(=O)C(c3nc(-c4ccc(F)cc4)c(C)s3)=C2N)cc1Cl 1873529956 SQOHHNXQXSDWAB-UHFFFAOYSA-N 429.904 4.636 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874214342 HXKPRRLHITXWEZ-OEAKJJBVSA-N 444.944 4.515 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1c[nH]c2ccccc12 1874244781 KPKGXPONPPVDQA-JVWAILMASA-N 449.624 4.875 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cc(OC)ccc1OC 1874252666 TWHJCDXIMHMHPS-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccn1 1874311305 ICLCEFBZHGKUCY-JVWAILMASA-N 447.539 4.781 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1O 1874376140 HFNQVFUEETZLJB-WGOQTCKBSA-N 448.523 4.636 30 10 IJEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874389828 HUUZBIMHFQTGDD-YDZHTSKRSA-N 428.945 4.705 30 10 IJEE COc1cc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)ccc1O 1874403101 UEJGNMNUDSQSPK-YZSQISJMSA-N 444.560 4.952 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1 1874426970 KJQPNBGPVSSWDP-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)cc1OC 1874460541 VAGLWRSGVNXNIB-YSURURNPSA-N 440.422 4.628 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c1 1874460826 IIGPWZIHBBYYRL-LSFURLLWSA-N 425.367 4.519 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(F)cc1F 1874477381 XSANHLZDNFGCMM-FSJBWODESA-N 431.468 4.982 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(F)cc1 1874483086 DAOCLXIENBFVMY-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)c1 1874487140 BCHKSLGMTSRJGI-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE COCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874501405 GBOKTVWYDYPULL-UFFVCSGVSA-N 435.322 4.501 30 10 IJEE CCc1ccccc1NC(=O)CSc1nncn1/N=C/c1ccc(Cl)c(Cl)c1 1874536160 OXTKRUOXAQGRKT-AUEPDCJTSA-N 434.352 4.760 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C(F)(F)F)c1OCc1ccccc1Cl 1874559766 NFNDWLIXBOIGNK-NUGSKGIGSA-N 442.850 4.709 30 10 IJEE O=C(Cc1ccccc1F)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1875150911 LHDZXMPFUPTEGU-VMPITWQZSA-N 449.390 4.507 30 10 IJEE N#Cc1ccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)o1 1952878864 MGMVCDXYPNEHEP-OFNKIYASSA-N 428.444 4.548 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Cl)c1F 2036852120 XQUYJYYTKRXNIG-CYBMUJFWSA-N 434.737 4.605 30 10 IJEE CCOP(=O)(OCC)c1cn(-c2cccc(C(F)(F)F)c2F)nc1C(F)(F)F 2080388153 OMWIBOPCYFNESB-UHFFFAOYSA-N 434.248 4.940 30 10 IJEE Cc1c(NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)ccc(Br)c1Cl 2082812086 WAFYWLQTBVOEEK-UHFFFAOYSA-N 429.742 4.656 30 10 IJEE N#Cc1ccccc1S(=O)(=O)OCc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 2087919067 ZDOBURLOQBJEJJ-UHFFFAOYSA-N 444.871 4.509 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)C3CC4(CC(OCc5ccccc5)C4)C3)C2)OC1(C)C 2104028370 NBPIEYYJABEXEB-XOSCFKQTSA-N 439.405 4.847 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3COC[C@H]2CN(Cc2ccccc2)C3)c1 2111468723 UJAAJYTWAPQQGR-DHIUTWEWSA-N 447.579 4.777 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H](C#N)c2ccccc2)ccc1Br 2181056163 QIDFJQJZPUEPST-KRWDZBQOSA-N 430.302 4.791 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CC[C@@H]1CCN1C(=O)OC(C)(C)C 2235717059 IRNADWSIAGTAGA-RBUKOAKNSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2235731871 RHLQODGQOLMQAC-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2247778391 BDRMHTYRWGHDRQ-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267113317 RVFYUQVOOALAQZ-UKTKTSIOSA-N 438.421 4.513 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(C)(C)C 2267684208 BTAPNBZBMUGERL-GOSISDBHSA-N 437.389 4.768 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)cn1 2296218665 GPFNTSYSPDUIOO-GOSISDBHSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@@H](N)C#Cc1cccc(Br)c1 2296275270 YOKXNENVPGEVCC-PKOBYXMFSA-N 447.398 4.724 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CN(CC(F)(F)F)C(=O)OC(C)(C)C 2296288268 FBRQBPPSLSRNKD-INIZCTEOSA-N 449.311 4.578 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 2296933646 ZHRNKKDBIKBEBO-HSZRJFAPSA-N 443.430 4.706 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S 2297320254 LYYKGVKFBVSRLB-UHFFFAOYSA-N 443.462 4.683 30 10 IJEE C=CCN(CC(=C)Br)Cc1ccc(Cl)c(I)c1 2300267541 LIOYMFCMUDGRQM-UHFFFAOYSA-N 426.523 4.841 30 10 IJEE C=CCOC(=O)C=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 2314019264 ALDSBLDCDWTHHZ-UHFFFAOYSA-N 448.269 4.687 30 10 IJEE N#Cc1cnc(Oc2cc(Br)cc(I)c2)c(Cl)c1 2316681425 SOSFOCMEYFTMHN-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE C[C@@H](C[C@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317349968 LQMFLDJDVIWXKA-IRXDYDNUSA-N 432.370 4.797 30 10 IJEE COCCc1nnc(S)n1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321885780 GCHMPWDGBYJAEZ-UHFFFAOYSA-N 437.352 4.524 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN(Cc1ccccc1)CO2 2321981728 YUDHAZBHMRBKHA-UHFFFAOYSA-N 428.444 4.872 30 10 IJEE COc1ccc(C=C(C(=O)N2CCn3c(C#N)ccc3[C@H]2C)c2ccccc2)cc1OC 2322806900 JURQUMBORJVVNY-GOSISDBHSA-N 427.504 4.521 30 10 IJEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(F)cc3F)ccc2OC)o1 2323105998 APQAPPNZUVCYRR-UHFFFAOYSA-N 428.387 4.828 30 10 IJEE CCCCCOc1c(OC)cc(C=Nn2c(S)nnc2-c2cccs2)cc1[N+](=O)[O-] 2323532242 ZCZPCGYRTLNFJJ-UHFFFAOYSA-N 447.542 4.663 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323791187 YBCZYISYILIZBS-UHFFFAOYSA-N 444.439 4.958 30 10 IJEE Cc1ccc(C=C2Oc3c(CN4CCN(Cc5ccccc5)CC4)c(O)cc(C)c3C2=O)o1 2324194225 DEFRTVRFJPIYJN-UHFFFAOYSA-N 444.531 4.536 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OCCCO)c(OC)c2)c1 2324384622 CBJATUTYDDOCQX-UHFFFAOYSA-N 434.916 4.803 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCCCO)c(Br)c2)c1 2324391795 UKBPZWNEQHVDGG-UHFFFAOYSA-N 449.341 4.904 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)NCc1ccccc1Cl 2325633251 ZMUVKEWVYSHLKJ-UHFFFAOYSA-N 437.854 4.791 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccccc3OC)c2)cc1 2325724746 VHOONYHFKAJNHV-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2326038564 RCMDJDOMGBJTGJ-UHFFFAOYSA-N 429.977 4.613 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)cc2O)c1 2330469696 BJBVRPITEWMKKM-UHFFFAOYSA-N 430.533 4.763 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc(Cl)c1 2330855771 WABUSVCEXXNJRM-UHFFFAOYSA-N 448.036 4.943 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccccc1F 2331636405 SGXVZXQSIBNOPE-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE COc1nc(Oc2ccccc2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339830140 VKFCCDOKBSJUMQ-UHFFFAOYSA-N 442.321 4.529 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@H](O)C#Cc3ccccc3Br)CCC[C@H]21 2358761602 SRVFAHBZLWRRJW-RAUXBKROSA-N 434.374 4.587 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(c3cc(Br)c(C#N)cc3F)C[C@@H]21 2361355021 SCISEZXFDINUQX-UGSOOPFHSA-N 438.341 4.686 30 10 IJEE Cc1cc(CNc2cc(Br)cnc2Cl)ccc1B1OC(C)(C)C(C)(C)O1 2369694312 NJNIJYFMOJFCPO-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE C=CC[C@H](Oc1nc2ccccc2nc1Br)[C@H]1CCN1C(=O)OC(C)(C)C 2381314577 HNXYFEGUZVYNIR-CVEARBPZSA-N 434.334 4.725 30 10 IJEE Cn1/c(=N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2ccccc21 13080659 FUKJTIHIGMDENN-ISURTVLTSA-N 449.448 4.783 30 10 IJEE CCc1ccccc1NC(=S)/N=C(\Nc1nc(C)cc(C)n1)NC1Cc2ccccc2C1 14159515 XPRSBOKKWPIYDH-UHFFFAOYSA-N 444.608 4.578 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccccc2)n1)Nc1ccc(Cl)cc1Cl 21036800 RGNALNJXGPABDJ-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE C=CCn1c(Cc2csc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)n2)n[nH]c1=S 23041856 GJXHQCFRKMURSH-UHFFFAOYSA-N 441.513 4.825 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 23504749 ADNVPGSGRGXOSW-KRWDZBQOSA-N 447.564 4.581 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 34943852 HOGUQANDERIGOD-HSZRJFAPSA-N 434.580 4.741 30 10 IJEE C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1 36249899 LJSRIWKWPPRQOD-DEOSSOPVSA-N 449.595 4.754 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4OC)c3C)C2=O)c(OC)c1 41285628 QHHPHRGRVXIWDX-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE C=CCSc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1 59019341 IROKSGXZLUUQNU-CIAFOILYSA-N 444.358 4.870 30 10 IJEE COC(=O)c1ccc(N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 59159706 FSXOWBGOAHFVCQ-XLVZBRSZSA-N 435.483 4.989 30 10 IJEE CCOc1ccccc1/C=C1/Oc2cc(OC(=O)c3ccc(OC)c(OC)c3)ccc2C1=O 110521536 IGAMWPJNTGLWDD-ZMOGYAJESA-N 446.455 4.938 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)cc1 170062182 ULLUVAWJMZKIIA-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2F)c1 170069344 GBULCJKWJKWWEW-XMMPIXPASA-N 431.463 4.936 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC)c2)c1 170117923 BKTOKMCOJPCQJB-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccs1 170157235 PFNKJOZGMJBZSM-FQEVSTJZSA-N 435.501 4.862 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)c1 170163552 DZQCYZDOGXTAIM-LJQANCHMSA-N 440.908 4.584 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccs1 170164500 JKYIVCNVCHDEMB-QGZVFWFLSA-N 439.364 4.585 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1 170173736 QBQCDJAYCRDQRC-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1cccc(OC(F)(F)F)c1 170179482 NEWDGXLULORCOB-UHFFFAOYSA-N 435.402 4.564 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1C(C)C 170230995 HSWLLWPIOUWWQQ-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC(C)C)c2)cc1 170475458 FJQCTMFRNZKOHE-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1 303658681 MJMZEXAPAXVRMW-JOCHJYFZSA-N 445.906 4.707 30 10 IJEE CN1CCC[C@H](C/N=C(/N)N[C@@H]2CCOc3ccccc32)[C@@H]1c1ccc(C(F)(F)F)cc1 304754453 LWSVIXWZYVPUSD-ZNLUXHQJSA-N 446.517 4.516 30 10 IJEE Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 439363478 YWTFESHQGAQFRM-DEOSSOPVSA-N 429.524 4.824 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 441199600 DCVNAELDIMBWFL-OXQOHEQNSA-N 425.529 4.770 30 10 IJEE C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H]1c1ccccc1I 460564206 WPDLSZFAMKWWLO-QGZVFWFLSA-N 434.325 4.678 30 10 IJEE COC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1 466561551 GAGOPWWTVJKCEC-XMMPIXPASA-N 433.483 4.980 30 10 IJEE C=CCN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nc(C(=O)OCC)cs1 483413464 NGNREWMNDRYVSW-UHFFFAOYSA-N 433.489 4.817 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@@H]4C)[C@H]3C[C@@H]12 504379505 RTGZNAKHJPYKJA-RSUQZRIASA-N 439.596 4.937 30 10 IJEE biogenic C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 508475371 YXELDYWXTMEVRL-PMACEKPBSA-N 434.540 4.556 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2cccs2)C1 508794533 LFFUUCDFKYHOCG-YJBOKZPZSA-N 430.961 4.897 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)cc1OC 526606689 NAJUSVUYCZRUFA-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(OC)c(O)c(OC)c1 526803465 UVFQGUXJGPHDOU-CFRMEGHHSA-N 444.532 4.657 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Cn2cc(C)cn2)CC1 549263991 SKDNJRUUZONBFT-IBGZPJMESA-N 438.551 4.555 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)N2CCCCC2)CC1 549597789 HENUSPAFXONYRN-UHFFFAOYSA-N 443.595 4.903 30 10 IJEE C=C(C)Cn1c(N2CCO[C@H](c3cccs3)C2)nnc1C(F)(F)Oc1ccccc1 549690792 INYJAAUPNPOEIF-KRWDZBQOSA-N 432.496 4.622 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)CC2)c(F)c1 560765423 SHPNQEKLLAAXOY-QZTJIDSGSA-N 448.416 4.769 30 10 IJEE C=C(C)CN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586214210 WNYNMKHYZRLUET-UHFFFAOYSA-N 429.460 4.982 30 10 IJEE CCn1cc(C(=O)OCc2cc(Cl)ccc2OCC#N)c(=O)c2cc(Cl)ccc21 735342779 HHQOLYLNPGABQO-UHFFFAOYSA-N 431.275 4.588 30 10 IJEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 768131985 FCVGKYNNSYFEOJ-MTCPJELPSA-N 428.891 4.617 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OC)c(I)n1 789718300 GCJREARAWJHDKK-UHFFFAOYSA-N 436.293 4.799 30 10 IJEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)n[nH]1 1084438747 FGMQOBCZMJQACW-UHFFFAOYSA-N 445.618 4.716 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1cccs1 1084597107 XFKLEHZCUUDWRN-UHFFFAOYSA-N 441.369 4.740 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)ccc1C(C)C 1125693324 AGUJKEZDHISUMW-FQEVSTJZSA-N 442.563 4.654 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1126229342 NIHRDYJMQAXCBP-QGZVFWFLSA-N 438.243 4.666 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccccc1-c1ccccc1 1136436182 LUTPHZOSJGNBES-HXUWFJFHSA-N 444.959 4.885 30 10 IJEE C=C(CC(C)C)C(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 1143166409 CNIDMEBCLCPHCO-UHFFFAOYSA-N 430.545 4.784 30 10 IJEE O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cnc(O)c(C(F)(F)F)c1 1156236552 CHBHBGDIHPLNLN-UHFFFAOYSA-N 430.251 4.721 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2ccc(OCc3ccccc3)c(F)c2)c(OC)c1 1184545476 RKUMNRUZNVQXSR-UHFFFAOYSA-N 428.481 4.910 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 1200143808 FEYYKWQFMNAHSL-KRWDZBQOSA-N 433.430 4.508 30 10 IJEE C[C@@H]1CCC[C@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)N(C)[C@H](C)CC#N)[C@@H]1C 1209136187 CSLXDKIZCNOORY-NLDJYOPPSA-N 429.989 4.585 30 10 IJEE C#Cc1ccc(NC(=O)N(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 1209898368 WWFMWEWYDJMMTR-UHFFFAOYSA-N 438.742 4.798 30 10 IJEE C=C(C)c1cccc(NC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 1210299246 CLOKYAPFIAQTRJ-DOTOQJQBSA-N 427.467 4.887 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(C(F)(F)F)cc1 1211147471 GMVVAROTRXQIFX-SFHVURJKSA-N 441.471 4.853 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)cc(F)c1Br)c1ccc(Br)cc1 1216712816 KNKYTZRABCEVMF-ZDUSSCGKSA-N 444.073 4.986 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 1216823424 CRGJBWANIVTMLO-OAHLLOKOSA-N 438.329 4.790 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C 1221986720 OIRNUQJYZQPIIF-IBGZPJMESA-N 443.588 4.573 30 10 IJEE CC[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1Cl 1223004787 BRAWUFZVWOREGO-QGZVFWFLSA-N 447.366 4.554 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)N[C@@H](c3cc(F)cc(Br)c3)C3CC3)on2)c1 1269968658 ATTIWFIDDXXWPJ-HXUWFJFHSA-N 440.272 4.996 30 10 IJEE C#C[C@@H](NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccc(Cl)cc1F 1275499135 VVQPEMLRLSBCTL-QGZVFWFLSA-N 443.824 4.852 30 10 IJEE C#CCCCn1c(COc2ccccc2F)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1286357393 IUTLBNRUDPZGJL-QGZVFWFLSA-N 441.576 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC1(COC)CCCC1 1286516726 JKNXUZJQRACWEV-JOCHJYFZSA-N 427.980 4.583 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC1(COC)CCC1 1286528168 ZKQKCSJEVUYLEG-HSZRJFAPSA-N 442.991 4.709 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CC)C1 1286554202 SQJXHXRXDQGMON-YDHSSHFGSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C1CCC1 1286593265 LJTYTUPGZKQTAD-UXHICEINSA-N 429.609 4.738 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1286611200 GPRCHQHMTMMSQK-XMSQKQJNSA-N 428.552 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(Cn2cccn2)CC1 1286672805 JOOLXCUPRXKCSC-UHFFFAOYSA-N 436.579 4.723 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286694071 KCUUEZPRPGVUOW-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1286698023 JIBQUPYXVVLISZ-LJQANCHMSA-N 434.588 4.525 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccnc(OC2CCCC2)c1 1286756281 JPSGUQRCNUXAAL-UHFFFAOYSA-N 430.556 4.592 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1ccc(Br)o1 1286772691 DGKXGKFEHNEWMK-UHFFFAOYSA-N 426.318 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(OCC)CCCC1 1300293050 OHYICNQXQZECFK-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@]2(CC=CCC2)C1 1300373215 SFVCIPCKELNIHQ-SANMLTNESA-N 434.584 4.996 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cccs1 1300521038 LGZKYRYVGRIUDB-UHFFFAOYSA-N 432.549 4.995 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)nc1 1300641621 CXMDGCWWESPEEQ-UHFFFAOYSA-N 446.917 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](OCC(C)C)C1 1300882541 VOWNIGRTODEYFT-JQVVWYNYSA-N 445.007 4.831 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1300930768 KEAGDRLVCXAXHC-SFHVURJKSA-N 442.361 4.660 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1300983980 UIXMKGPEOBWHGO-GOSISDBHSA-N 440.617 4.766 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2nccs2)CC1 1301067196 XSQNHXKLTZFRNT-SFHVURJKSA-N 439.585 4.672 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)c(Cl)c1 1301168457 PTBSSOBQAJMUEV-UHFFFAOYSA-N 433.959 4.538 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCn1cccn1 1301177195 VCDHKLFKVSJWAT-UHFFFAOYSA-N 443.393 4.705 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC1(OC)CCC(C)CC1 1301358847 AGZWJYSNDYXDAP-UHFFFAOYSA-N 440.617 4.528 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC2(CCCC2)C1)C(C)C 1301367241 MCHODBORYMJPDE-QHCPKHFHSA-N 434.632 4.809 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCN(CC(C)C)C1 1301380715 JDHUIYJVWYONSP-OAQYLSRUSA-N 432.616 4.973 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1301438347 OHYSEIGOFBCQBW-UHFFFAOYSA-N 435.616 4.800 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1301602320 OIIVZMOVIVMJQQ-SFHVURJKSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301602347 OLPKFVUPDMJIPR-MOPGFXCFSA-N 449.020 4.674 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1C1CCC1 1301602841 WZRJLBHLIUGQBF-IBGZPJMESA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(N(CC)CC)CC1 1301603862 HPKJHITVWOLHGD-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@@H](SC)C1 1301621564 ZYSRNAHTOHXIOG-LJQANCHMSA-N 436.622 4.637 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCS1 1304057772 CAFFZOJXKBKKRG-CRAIPNDOSA-N 438.626 4.869 30 10 IJEE C=CCN(C(=O)Cc1ccccc1S(=O)(=O)C(F)F)c1nc(-c2ccccc2)cs1 1350012173 AEARDEVXLXBJGR-UHFFFAOYSA-N 448.516 4.568 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@H](C)[C@H]1CCCO1)c1ccc2c(c1)OCCO2 1350085158 ITTDWDBSNZMCRX-SIKLNZKXSA-N 437.536 4.761 30 10 IJEE C=CCOc1cccc(NC(=O)c2c(Cl)ccc(I)c2F)c1 1355563039 IPKAVYKULXAXOR-UHFFFAOYSA-N 431.632 4.901 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](c1cccnc1)C(C)C 1358871935 MDCQKYBVYTVOET-YYDVJCTNSA-N 435.547 4.850 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1358908278 ROEUGOQXOHXPAQ-IRXDYDNUSA-N 443.389 4.754 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCC1=CCCCC1 1358971847 KWZLLPBIFCDHMK-UHFFFAOYSA-N 441.348 4.810 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1358996596 KJHGPJNJEMQPPL-XNMGPUDCSA-N 444.623 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](CC(C)C)N(C)C 1359065760 ASPRSNNMRGBICV-NTKDMRAZSA-N 445.558 4.515 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)Cc1cnn(C)c1 1359118956 NCPYBKIWMXUSIX-UHFFFAOYSA-N 449.784 4.697 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1359175472 MWPAVXGBOVDPIX-HSZRJFAPSA-N 444.583 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359192184 YNYZMMQNCNFQCB-OAQYLSRUSA-N 438.616 4.899 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](C)C1 1359213836 IWCUJWXTJMBRFW-IBGZPJMESA-N 434.588 4.829 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359236440 LUMADIVHTNDHBC-LJQANCHMSA-N 448.571 4.515 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1359251995 ATARPGDUDIVTQJ-UHFFFAOYSA-N 448.590 4.883 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1359252134 GGODWCWUMRHCRT-UHFFFAOYSA-N 449.427 4.764 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1447761362 WNUDOZJRAWUUJY-HSZRJFAPSA-N 436.552 4.885 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccccc1OCc1ccccc1Br)C(=O)OC 1455836199 LDQCMZFMRQHGIC-IBGZPJMESA-N 446.341 4.656 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)C2CCOCC2)nc2scc(-c3ccccc3)c2c1=O 1458820078 RFYLXEIFPXASBG-HNNXBMFYSA-N 440.590 4.787 30 10 IJEE COc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)cc1C#N 1462310848 DFNMGBKAEPAOTP-UHFFFAOYSA-N 431.517 4.858 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 1463792661 AJZCQSRCFJCWEW-DEOSSOPVSA-N 445.950 4.942 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)C(F)(F)c3cc(Cl)ccc3Cl)CC2)cc1 1463832651 ADZXKJFBZUOHCO-UHFFFAOYSA-N 438.305 4.691 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1464904347 UNEWJVKKRBCJAR-UHFFFAOYSA-N 426.344 4.860 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1c(Cl)cc(C#N)cc1Cl 1465596229 GVIXQPNEWLTDCH-UHFFFAOYSA-N 440.714 4.594 30 10 IJEE CCOC(=O)N[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)CC(C)C 1465762976 HIHAOTUBMVPAML-GOSISDBHSA-N 442.491 4.772 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)CN(C(=O)OC(C)(C)C)C1 1466610354 BJCVHNUSSKCGRL-ZDUSSCGKSA-N 444.906 4.932 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1466914972 QBEYRJIAQLKZSV-UHFFFAOYSA-N 432.520 4.765 30 10 IJEE O=C(NCc1ccc2nonc2c1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1466943199 GKNHOEPDHAYAHZ-UHFFFAOYSA-N 436.287 4.834 30 10 IJEE C=C(C)CONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1469741843 DJCWGJWTSGUGBE-UHFFFAOYSA-N 449.363 4.957 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1nc(C(F)(F)F)n2c1CCCC2)c1ccc(F)c(F)c1 1469857289 RBMWUROSMPTQSJ-KRWDZBQOSA-N 428.405 4.633 30 10 IJEE N#CCCn1cc(CN2CC[C@H](c3cccc(Br)c3)C2)c(-c2ccncc2)n1 1474529495 BPLDWRMHKVQEOV-IBGZPJMESA-N 436.357 4.611 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)cc1 1478615942 RGNVVLDCHRFHOV-UHFFFAOYSA-N 445.604 4.724 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1CC(F)(F)C1 1495732967 FJHDTKYZUCLXJQ-OAHLLOKOSA-N 448.949 4.689 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(COC)CCCCC1 1507544918 FXJBLPZRUJBZEC-GOSISDBHSA-N 430.980 4.565 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCSC(C)(C)C1 1507555067 FKHBCUNPOVCUKZ-UHFFFAOYSA-N 433.419 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCCC1(F)F 1507673422 UOFOBXIAOVXAFE-NRFANRHFSA-N 440.538 4.762 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCOC(C)(C)[C@H]1C 1507840250 YPGPVYCZXCUPSS-ZWKOTPCHSA-N 444.645 4.728 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCC(F)F)CC1 1507896408 FKCSVSXMPGUOOF-HNNXBMFYSA-N 436.572 4.816 30 10 IJEE C=CCCCCn1c(Nc2cnn(C)c2)nnc1-c1cc(OC)ccc1Br 1507936631 FMHSWDDKNUTONK-UHFFFAOYSA-N 431.338 4.550 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 1507956817 SFLHUJQSYOGNFV-UHFFFAOYSA-N 449.324 4.954 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507973519 HIHIENUSLXUGMK-NHCUHLMSSA-N 449.599 4.860 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1508025848 UCGBCYJEFGKHPP-FQEVSTJZSA-N 447.549 4.665 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(F)(F)F)CC1 1508150018 GRLBEIQMNUPXEI-UHFFFAOYSA-N 426.508 4.652 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)c1c(C)noc1C 1513216061 CLBSQIQUYBYRJP-GANZUKCXSA-N 436.535 4.671 30 10 IJEE COc1cccc(CO[C@@H](C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1521185322 IBDGNCURRQKDQS-KRWDZBQOSA-N 432.524 4.594 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F 1521409887 FGWPOSNSQPWZGU-GFCCVEGCSA-N 427.394 4.918 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)c(OC)c1 1523213091 SHUSOPNMWMUVEF-UHFFFAOYSA-N 427.298 4.900 30 10 IJEE C#C[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)c1ccc(F)cc1 1525024787 GDSODYFUYZTYSW-OAQYLSRUSA-N 430.310 4.968 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)cc1 1527031805 DNJQBNFHOZMAPD-CABCVRRESA-N 430.595 4.670 30 10 IJEE C=CC(C)(C)CC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 1529210527 IBNFBZOZGXOECC-LJQANCHMSA-N 433.321 4.987 30 10 IJEE C#CCN(C(=O)c1cccc2scnc12)[C@@H]1CCOc2ccc(Br)cc21 1531554190 URGNFLROQKEADX-MRXNPFEDSA-N 427.323 4.658 30 10 IJEE CCCN(Cc1ccccc1Br)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1533239397 HXHOSGPTVNMZRP-OAQYLSRUSA-N 426.358 4.728 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cc(-c2cccc(Br)c2)no1 1534335073 ASUNVJCNLWMNKZ-UHFFFAOYSA-N 448.280 4.722 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCC23CCC3)c1 1535791240 HLDCGFHCQXEZOL-UHFFFAOYSA-N 444.984 4.880 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)CCCN1C(=O)OC(C)(C)C 1537233592 JRDQMEFYOHURBA-ZDWFVDTJSA-N 436.980 4.878 30 10 IJEE C=CCN(C(=O)c1cc(-c2cccc(Cl)c2)no1)[C@@H](Cc1ccccc1)C(=O)OCC 1537316929 JZASVTVUZZYJRB-NRFANRHFSA-N 438.911 4.798 30 10 IJEE Cc1ccccc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCC[C@H](C)C1 1537747284 BUFORSPMYWALOK-XNZYNNNKSA-N 429.564 4.903 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1)[C@@H]1CCCO1 1537763076 OIFFYDOPMWBXCY-ROUUACIJSA-N 448.375 4.672 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 1538509372 LDVPRMUPBOWFHB-NRFANRHFSA-N 438.980 4.957 30 10 IJEE C=CCN(C(=O)/C=C\Sc1cc(F)ccc1F)[C@@H](Cc1ccccc1)C(=O)OCC 1538618097 CSTMHCGMMXHXKW-WXFJXSOESA-N 431.504 4.760 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CCC)CC1 1538974122 RATNTZHFSURAEJ-RBUKOAKNSA-N 444.023 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C1CC(C(C)(C)C)C1 1539312188 KCQVVEZVOJAOEY-UHFFFAOYSA-N 426.568 4.591 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSCC(F)(F)F 1539350194 DKIOUGDEWOMAPY-CQSZACIVSA-N 442.576 4.886 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)C1CC1 1539365866 QLGNFVPCVDHCRW-IBGZPJMESA-N 443.636 4.678 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1539586169 HHNAEZDHPSBTJS-SFHVURJKSA-N 443.345 4.803 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H]2OC)CC1 1539860007 ZXIWFZIEIQATLQ-RBUKOAKNSA-N 428.602 4.551 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@H](COC)C1 1539952565 GNMNTUAFQGHUAY-FQEVSTJZSA-N 434.588 4.944 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC(F)(F)Br 1540121575 LBIYJNVGOXYUPX-UHFFFAOYSA-N 436.304 4.598 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 1540596066 YPHRCMIXPATFPU-GOSISDBHSA-N 436.339 4.999 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2Br)C1 1540890684 ILHNFEPMGRIQMP-GOSISDBHSA-N 431.378 4.528 30 10 IJEE N#Cc1ccc(CN(c2nnc(Cc3ccncc3)n2CCCC(F)(F)F)C2CC2)cc1 1555989267 FEQNTPKZHSRQQQ-UHFFFAOYSA-N 440.473 4.647 30 10 IJEE C[C@H](NC(=O)c1coc(Sc2ncccn2)n1)c1ccc(-c2cccc(C#N)c2)cc1 1556162026 FRHNBEYYXUTEEY-HNNXBMFYSA-N 427.489 4.645 30 10 IJEE C=CCCCCNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1556312392 OTZOIYRQADAPLG-HXUWFJFHSA-N 425.367 4.662 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCOc2ccc(Br)cc21 1562110379 UNGSSYROIDUEDH-FQEVSTJZSA-N 425.326 4.929 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)CCOCC1 1562229934 FZCFTNWUGYKDDX-UHFFFAOYSA-N 433.980 4.992 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)NCc3cccc(Oc4ccccc4)c3)CC2)nc1 1563520005 BFJPXMPQAXPDSD-UHFFFAOYSA-N 442.519 4.935 30 10 IJEE C=CCC[C@@H](NC(=O)NCC[S@@](=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1564138399 AONFGBOCXLIFIU-PRAQEBQASA-N 438.515 4.961 30 10 IJEE Cc1ccc(-n2[nH]c(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)cc2=O)cc1 1569090924 AWDYKGDZQULFLJ-UHFFFAOYSA-N 426.501 4.749 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(I)cc(Br)c2C)C1 1583967616 ISMCBRCUJUTWBP-GFCCVEGCSA-N 448.142 4.790 30 10 IJEE C=CC[S@](=O)(=NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccccc1 1586026805 BLWBVNYTMWVTQK-SSEXGKCCSA-N 441.471 4.809 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)C(F)(F)F)cc1 1587315028 BNDLPBWUFVONTA-QGZVFWFLSA-N 439.315 4.728 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1587594398 VYZWGSIMKDBQBP-QGZVFWFLSA-N 445.995 4.704 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1587773485 LGOOIZGLALIHHI-YKSBVNFPSA-N 429.568 4.664 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 1587787443 NBFDCBTWOHTDGS-UHFFFAOYSA-N 440.563 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1589657602 HCNVQMVDYLXJSU-OAQYLSRUSA-N 440.588 4.671 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1594492066 RVLMSBFQCDRNDX-HBMCJLEFSA-N 445.652 4.643 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1594759902 AUSQKUPMDQVREQ-VXMMSVGHSA-N 438.616 4.718 30 10 IJEE COc1ccc(NC(=O)c2cnc(-c3cc(Br)ccc3OC)s2)cc1C#N 1595802206 GKOBUBJJCNAARR-UHFFFAOYSA-N 444.310 4.714 30 10 IJEE CC(C)Oc1ccc([C@@H](CNc2nc3c(c(C#N)c2C#N)CCCCCC3)N(C)C)cc1 1612440986 FAPMQYUHSYUVTB-RUZDIDTESA-N 431.584 4.986 30 10 IJEE CCCCn1c(S[C@@H]2CC[C@H](C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1613122754 AXTNUCCDRWGDQO-ZWKOTPCHSA-N 446.642 4.795 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)[C@@H]1CCCO1 1622949489 VMPPYSHNZVZHRM-OALUTQOASA-N 446.429 4.652 30 10 IJEE CCn1nccc1CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1623163833 GLVMKAWRULFXGB-UHFFFAOYSA-N 429.402 4.907 30 10 IJEE C[C@](CO)(NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1cccc(C(F)(F)F)c1 1624210303 DFYFAQUQCKWPOB-QGZVFWFLSA-N 447.335 4.505 30 10 IJEE C#CC[C@@H](COC)NC(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1627608759 PHRWIGZBNDAUOZ-SFHVURJKSA-N 437.378 4.958 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 1629422611 OZTZFWDUBGMMDW-UHFFFAOYSA-N 442.441 4.567 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 1629903728 LOHOSAOTYQBWJJ-UHFFFAOYSA-N 447.501 4.660 30 10 IJEE C=C[C@H](C)ONC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1636606957 NPBHTXOODDUZHK-UGSOOPFHSA-N 440.396 4.960 30 10 IJEE N#Cc1ccc(N2CCC[C@H](Sc3n[nH]c(-c4cc(Cl)cc(Cl)c4)n3)C2=O)cc1 1643727675 FFPQRXVHJIGUGG-KRWDZBQOSA-N 444.347 4.938 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2c2ccccc2)cc1OC 1643979768 NESHBSQGYKRTAB-CHFKYBQCSA-N 449.547 4.626 30 10 IJEE COc1ccc(Cl)cc1C[C@@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1 1644674494 HAVAEZFVLRBHNX-INIZCTEOSA-N 431.989 4.792 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 1652406437 UPKMCFAXQIRQLA-MRXNPFEDSA-N 440.519 4.894 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 1652406477 VWSLRJKUQMMVEB-IBGZPJMESA-N 433.577 4.684 30 10 IJEE C=C[C@@H](C(=O)N[C@H](C(=O)OCC)c1ccc(Br)c(Cl)c1)c1ccccc1 1652418674 LBPSLEDFUCNUNM-QAPCUYQASA-N 436.733 4.793 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCCc2ccc(Cl)cc2)CC1 1658121544 CUXDVHLLOKIMTR-NRFANRHFSA-N 432.793 4.918 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)CCCc3ccccc3)CC2)cc1OC 1663753211 UIQSUUNRKUWCKQ-UHFFFAOYSA-N 442.987 4.581 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 1667161710 OOLOPDNURSRRBX-INIZCTEOSA-N 429.442 4.513 30 10 IJEE COc1ccc2cc(CNC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)ccc2c1 1670182167 AFTYEJSKVMYKIA-UHFFFAOYSA-N 431.883 4.881 30 10 IJEE Cc1cc(C)cc([C@H](O)CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1671797477 BLMSRVJWSAABOG-OAQYLSRUSA-N 431.540 4.513 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(c3cccc(F)c3F)CC2)cc(OC)c1OC 1677640926 HDMYDVZSDYCSOK-UHFFFAOYSA-N 430.495 4.800 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(Br)cc1 1680628740 BPMGBFMEOAJUMP-QZTJIDSGSA-N 431.305 4.864 30 10 IJEE N#CCC[C@@H](NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1680814342 ADWDVVKRQMPLLY-JWQCQUIFSA-N 441.531 4.858 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 1683822821 DNKPEEDVBKYKAR-QFZWGZQFSA-N 435.999 4.949 30 10 IJEE C#C[C@H](NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc(Cl)cc1F 1686922450 JFVCHZXENMSACI-NRFANRHFSA-N 442.897 4.957 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](OC)[C@@H](C)CC 1689952931 ZSPQEMVLMGVASB-LPHOPBHVSA-N 426.561 4.943 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1690032702 HJFSXLIPNQNHGC-DGWZTRNLSA-N 445.655 4.651 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCSCC(C)C 1690062104 CPFUBBUKBHWAGY-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCCCC1 1690198240 HZVJREFBNRXOCH-HSZRJFAPSA-N 429.971 4.606 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1690280353 IACSJZIPDYVUCD-CTNGQTDRSA-N 446.599 4.591 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1690347492 GZQOKBKJEHPHSN-UHFFFAOYSA-N 434.758 4.886 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1690354686 XPXBXSCPFLIWOL-FQEVSTJZSA-N 439.412 4.983 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2ccccc2F)CC1 1690413520 WGRNCFIKFYEBAF-INIZCTEOSA-N 441.576 4.643 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1690472561 QBBKKEDAGDOIEE-RXVVDRJESA-N 428.552 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cn(CCCC)nc1C 1690523588 GVDKHQASVPSKNA-UHFFFAOYSA-N 431.544 4.576 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCCC1 1690568025 YGGGCYPHBHZANB-FGZHOGPDSA-N 438.616 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1690589928 GOGASQUCJMGSML-SFHVURJKSA-N 441.551 4.662 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC2(CCCCC2)O1 1690624324 NWJVHCFJZIVCSK-HSZRJFAPSA-N 438.616 4.698 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](SC)C(C)(C)C)C1 1690711616 DVHJAOLKPMEZJS-RTWAWAEBSA-N 444.645 4.725 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCSC1 1690733932 QVCFYZBXRKCGTG-RDJZCZTQSA-N 439.050 4.932 30 10 IJEE CCC(O)(CC)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCC#N)CC1CC1 1694410280 GUYFYLVNUBDUEQ-UHFFFAOYSA-N 441.645 4.957 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)C1Cc2ccccc2C1 1705526887 NLCBMOMGXYYZTO-UHFFFAOYSA-N 441.398 4.786 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](OC)C(C)(C)C 1705589829 WIKOJMZTCWNAMH-FYYLOGMGSA-N 436.600 4.559 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C1CC1 1705605054 ZVQWXUPMTHCMID-FXAWDEMLSA-N 430.980 4.573 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(F)(F)F)c1 1705718137 AXQYADAKKCYUHQ-UHFFFAOYSA-N 445.489 4.656 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@H](C)N2CCCCC2)CC1 1705771376 QZEIHPAKJKXHLG-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1705777018 VSFZERCYXDNOIR-BJLQDIEVSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nccs2)CC1 1705777164 YRELQJQLRLOYME-HNNXBMFYSA-N 429.977 4.979 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(CC)CC2)CC1 1705781615 DMYKUDIFAOWFHW-FQEVSTJZSA-N 443.636 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1nc(C)cs1 1705839322 WLGSKJIUWRSHLI-CYBMUJFWSA-N 432.391 4.898 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCOC(C)(C)[C@@H]1C 1705913492 PPGLXPLGWXUDOL-SFHVURJKSA-N 438.597 4.547 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOC(C)(C)C)C1 1705920194 SDIMZFKWVZRNNN-LJQANCHMSA-N 444.645 4.872 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@@H](CC)C1 1705944455 HUOUPLPCZZYONJ-SFHVURJKSA-N 425.627 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1csc(-c2ccco2)n1 1722299036 KZCXBEGGKDWONH-GOSISDBHSA-N 447.564 4.697 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)[C@H]1C 1722325563 AJUZYIQJJQAZEY-ZIAGYGMSSA-N 437.382 4.590 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1722330045 PLYSBMIULXSQRK-MOPGFXCFSA-N 442.629 4.876 30 10 IJEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722424964 GWKYMYDERVEGRK-IAGOWNOFSA-N 445.489 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccco1 1722502055 HUOPIVPXASLMBA-GBXCKJPGSA-N 436.556 4.685 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1722566943 FKARXXNYOQMACL-UHFFFAOYSA-N 427.474 4.796 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722635532 YZDLUFCEHISUCU-JKSUJKDBSA-N 441.576 4.809 30 10 IJEE C=CCN(c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](F)COC)C1CC1 1722647702 YHCSHECFGAGCCL-QGZVFWFLSA-N 427.549 4.516 30 10 IJEE CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCCC[C@@H]1C 1723281590 FFMIKJOQMZLMSY-QFIPXVFZSA-N 446.643 4.906 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2)CCC(C)CC1 1729952705 IBAXZCDEHYOGJJ-UHFFFAOYSA-N 449.555 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)C1CCCCC1 1740535169 NXIDLQVBKKEUJH-UTAZYMRLSA-N 438.616 4.824 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](SCC)C1 1740579756 SQNDKEGMBZODPS-OAQYLSRUSA-N 439.629 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1740764859 KODFVFHKVDVDHJ-RDJZCZTQSA-N 429.531 4.893 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCN(CCC)C2)CC1 1740841705 XJEPGKBJAFLAMN-HSZRJFAPSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC#N)CC1 1740844544 LSGYXNAEPFWTKR-UHFFFAOYSA-N 431.382 4.768 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C(C)C)N1CCCC1 1740894045 HGJSNDGSRQXUKM-UYAOXDASSA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1Cc1cn2ccc(C)cc2n1 1740913973 JTDMEJXGCQNDJB-UHFFFAOYSA-N 444.583 4.682 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCCC1 1740923460 MLHIWNWJDTUDET-UHFFFAOYSA-N 443.661 4.914 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCOC1 1740923486 NBSLBBXWRPZQAU-IBGZPJMESA-N 426.561 4.689 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1748649186 KYHGNSVYNFMEAL-IRXDYDNUSA-N 445.995 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1748654562 KGWUCWDXMZUSFD-GHTZIAJQSA-N 439.604 4.515 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1748702315 BZXPCWLKAGIFFN-SFHVURJKSA-N 439.922 4.594 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@H]1CC 1748760317 ZTKLGMLMEJALLP-FUHWJXTLSA-N 431.378 4.658 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748773543 ZBXKDXUTMLXJBO-WAOWUJCRSA-N 442.579 4.856 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(C)nc1 1748834911 XPAMJVPJQCYCAJ-UHFFFAOYSA-N 441.535 4.637 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cc(C(C)(C)C)no1 1748912852 JJRQMVPQXSIMHV-UHFFFAOYSA-N 428.540 4.595 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCO[C@@H](C)C1 1748935840 BXDYKOYCIPQGEW-PMACEKPBSA-N 445.007 4.526 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)CCSCC 1749106486 DYBMZMKNPNCEAQ-ZDUSSCGKSA-N 444.468 4.510 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cccs2)CC1 1749220229 BFAHTTGZVPBJBV-UHFFFAOYSA-N 444.004 4.579 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1749331610 QOJRWEADRPQGCT-YLJYHZDGSA-N 445.405 4.661 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1749402704 QVFNCFVGGTWAEM-NQIIRXRSSA-N 430.980 4.760 30 10 IJEE COCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1749404479 DYCNVVKEEUZFIL-MBSDFSHPSA-N 441.551 4.504 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1749412694 PIDNTOOHAOWOFG-CJFMBICVSA-N 440.588 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)C1CC1 1749561835 YKMTWLMBYKTRDI-DEOSSOPVSA-N 435.597 4.716 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Br)cc1 1749751251 NVDUXAQUIOSTGE-UHFFFAOYSA-N 446.418 4.634 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C#N)cc2)n1 1751735984 AVJLGYYNCURCGN-OAHLLOKOSA-N 432.553 4.923 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760347302 QAVIYRNNSNRTLR-RBBKRZOGSA-N 445.007 4.975 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCCn1nc(C)cc1C 1760483030 AWCVUUCIZIZMQL-UHFFFAOYSA-N 445.546 4.575 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)cc1 1760487032 HRYGKOOPPIAUQV-SFHVURJKSA-N 428.989 4.932 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760487580 YOZGZQNRGWIQKU-SELNLUPBSA-N 430.618 4.774 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCSC1(C)C 1760492838 IGEGAABDLVOXDD-FQEVSTJZSA-N 434.613 4.841 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCC(F)(F)C2)c1 1768381014 GJKOKFAXSDEVKJ-ZHRRBRCNSA-N 445.514 4.528 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1770548483 HCEXKDCRISGMDU-BVOGOJNSSA-N 439.629 4.743 30 10 IJEE Cc1nnc(N=C2S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2C2CCCCC2)s1 1772734986 DUIWMTUHVAZBBJ-CTNAHEIOSA-N 427.599 4.849 30 10 IJEE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772750448 URPLAHMGVAQLAK-UHFFFAOYSA-N 432.549 4.545 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)c1cccc(C#N)c1 1858723322 IJIZNPKMFXSYGM-OAHLLOKOSA-N 434.883 4.573 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4cccnc4Cl)cc3)CC2)c1 1860706550 CSJAJMPSSPJVLF-UHFFFAOYSA-N 445.906 4.846 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(CC)cc2)cc1 1862391123 SPJKGODMSLQSQH-XMMPIXPASA-N 434.580 4.732 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OCC)cc1 1862525870 MLNCFDWGSUNTLW-IBGZPJMESA-N 444.325 4.836 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc2ccccc12 1862549430 OWLRXMRSSNWLFM-NSYGIPOTSA-N 441.527 4.678 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F 1862643744 UUWKJBHXYDYARE-GOSISDBHSA-N 436.266 4.882 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862663882 COBZWUHJAQTXAA-VWNXMTODSA-N 448.563 4.633 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C(=O)O)cc1 1862678990 TYIVPWMKDAPIGY-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCO)cc1 1862722188 XBTXWGLUTLTQGW-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1863174270 ZUAFBZLDAXYYOF-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CC(C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866774087 ZHKRRWXNNAAGDC-QHCPKHFHSA-N 429.495 4.753 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(CCC)cc2)n(-c2ccc(C)cc2)n1 1870001211 UAQNWEJJVVVUAS-UHFFFAOYSA-N 445.567 4.724 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCC)cn1CCOc1ccc(OC)cc1 1870679603 VPHCUJCJCWOOBF-UHFFFAOYSA-N 440.584 4.679 30 10 IJEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(OC)c(OC)c2)cc1=O 1871006919 BUCANSWBXLHDGM-UHFFFAOYSA-N 446.547 4.513 30 10 IJEE C#CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871007418 BSNYJJTWADHSRJ-UHFFFAOYSA-N 448.394 4.655 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1ccc(C)cc1 1871237710 YSBYZCIBFHJKGK-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)cc(C)c3C2=O)c1 1871383429 AAUBFFZWPOPFHL-HAHDFKILSA-N 430.456 4.994 30 10 IJEE Cc1cc(OCC(=O)c2ccc(NC(=O)C3CC3)cc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871445740 KNRAIEHEHBRYHT-FMCGGJTJSA-N 443.455 4.814 30 10 IJEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871617027 LPJZZXLSXOIIOW-UHFFFAOYSA-N 439.652 4.678 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCC 1871959186 LGSXPULCSUDGPB-KSSFIOAISA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1cccs1 1872137967 JUNBRDSZXRCJJE-OAQYLSRUSA-N 426.563 4.695 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1872144451 KWWSQMNJAVWABD-QFIPXVFZSA-N 429.586 4.621 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872435626 QDCSQPUUXQQZDT-JOCHJYFZSA-N 432.561 4.789 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872449432 ODYSOZRUYWMKNF-GOSISDBHSA-N 434.989 4.778 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 1872612653 GUIHTJXZMQTHEA-DEOSSOPVSA-N 444.641 4.833 30 10 IJEE CCCCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 1872721093 ALZOXFPFZFGNQF-UHFFFAOYSA-N 446.613 4.555 30 10 IJEE CCc1ccccc1N1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)c(CC)s2)=C1N 1872796422 ZTMISHXCVHIUMM-UHFFFAOYSA-N 449.576 4.669 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccccc2)C1=O 1873159718 HCFNWLALZKHPAN-UHFFFAOYSA-N 436.600 4.784 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(NCc3ccco3)ncnc21 1873623571 HQEDMMVTMOLHNZ-UHFFFAOYSA-N 437.887 4.737 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874426684 UXRVGIZWKKCZTI-AFUMVMLFSA-N 430.537 4.503 30 10 IJEE CCOc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)ccc1O 1874487547 OYIHOCKQEJXWMJ-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE CCCSc1nnc(CC(C)C)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874490712 GTTFSDWTEBVIIO-RGVLZGJSSA-N 441.395 4.728 30 10 IJEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(F)cc1F 1874504582 USLPIGVTQYYUKI-LIMNOBDPSA-N 426.851 4.670 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)C)c1 1874508937 CSPGAKBRPJEWGJ-WYMPLXKRSA-N 437.569 4.645 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)N[C@@H](C)c2ccccc2)cc1 1874576039 UICNNBPZTOUFBW-FLXZHSAZSA-N 445.515 4.856 30 10 IJEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874597449 NLAFPARTEMZWLW-XYOKQWHBSA-N 429.472 4.891 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCc3ccc(OC)cc3)n21 1875036259 JCOJATIFJKYGDT-GOSISDBHSA-N 430.618 4.781 30 10 IJEE O=C1CCC(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2Cl)=NN1 1875096264 FMVJOKSKWYAQKI-BJMVGYQFSA-N 432.863 4.561 30 10 IJEE COCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1875182181 QMRAHZGEXDLSKJ-VOTSOKGWSA-N 448.899 4.512 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3Br)C2)OC1(C)C 1965479675 GCHAECQHOPJDHE-GFCCVEGCSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(Cc3ccc(Br)cc3C#N)CC[C@H]21 1966397969 FMWYUAWHBBKGQM-VQIMIIECSA-N 434.378 4.542 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1988846533 KGEQLZZHPYWGJL-LIRRHRJNSA-N 435.487 4.715 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2023581744 BDIUVWHWPBJKAG-WHSLLNHNSA-N 436.557 4.900 30 10 IJEE CC(C)[C@H](C#N)C(=O)Nc1cc(Br)c(Br)c(Br)c1 2034334345 MAPCVTAIRIWSFM-QMMMGPOBSA-N 438.945 4.708 30 10 IJEE N#Cc1ccc(OCC(=O)N2N=C3C(=Cc4ccco4)CCC[C@@H]3[C@H]2c2ccco2)cc1 2040425165 QLFZWAUCSFNVLC-OFVILXPXSA-N 427.460 4.946 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100156801 OSTKVWGHQQAEDB-BJKOFHAPSA-N 435.417 4.802 30 10 IJEE CCCCCC#CC[C@@H](NN)c1ccc(I)c(Br)c1 2139054514 YVBCNQAXHBGXAK-OAHLLOKOSA-N 435.147 4.532 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@H](C(C)(C)C)C1 2174768874 GLWXAFOJDGSRRK-KRWDZBQOSA-N 440.357 4.932 30 10 IJEE Cc1cc(Br)c(C(=O)NC2CCC(C#N)CC2)cc1NC(=O)OC(C)(C)C 2181045481 GWLKBEODWMVYJA-UHFFFAOYSA-N 436.350 4.917 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 2181054800 BECHNSMCEDFPIL-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE Cc1cnc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2224125758 RZDOMLWTVZQNAS-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2235736717 ZWSOWLAAGKYYLH-ICSRJNTNSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C#Cc1ccccc1Br 2235749308 JFDGYOXHBNRLCO-IBGZPJMESA-N 428.326 4.506 30 10 IJEE O[C@@H](C#Cc1ccccc1Cl)c1ccc(I)c(Br)c1 2277841789 RUDNBJHCEWBIOH-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE C[C@H](c1cscc1Br)N(C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280783402 KNNWAJQKDXQXEZ-LLVKDONJSA-N 441.175 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(Br)cnc2C#N)C(F)(F)CC1 2284578435 BWNSUTXFELVKJS-HNNXBMFYSA-N 445.308 4.553 30 10 IJEE CCOC(=O)c1ccc(N=C2SC(=C3Sc4ccccc4N3C)C(=O)N2CC)cc1 2295201796 DDKCAVWGGHZGGF-UHFFFAOYSA-N 439.562 4.857 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 2296216632 MIIZMCKHMAMOQE-VQTJNVASSA-N 429.358 4.655 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 2296272900 MRGRKAZDJIYCPC-RBUKOAKNSA-N 449.414 4.586 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 2296362984 WBLHVGDVQJVGJI-HSZRJFAPSA-N 447.462 4.859 30 10 IJEE COc1ccc(CCNC(C)=CN=C2NC(=Nc3ccc(F)c(Cl)c3)S2)cc1OC 2297616572 ZJPZQEIGPKALGZ-UHFFFAOYSA-N 448.951 4.870 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2306524411 VBADMTRYSMUWOE-DRPBJASRSA-N 428.573 4.601 30 10 IJEE COc1ccc(C=C2SC(=NN=Cc3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 2314819283 XGJNGTPKYBOXIP-UHFFFAOYSA-N 435.480 4.934 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2317318291 OUAMIUZBMHXPRN-AZSVPQILSA-N 439.644 4.574 30 10 IJEE C[C@@H]1[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317346251 FWWNHJPDPCXARD-AEFFLSMTSA-N 429.370 4.536 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319733674 LBYZNEJREZBPKV-INIZCTEOSA-N 430.354 4.650 30 10 IJEE NC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2322582310 VJENXJSKVYAZLO-UHFFFAOYSA-N 429.097 4.516 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2322722947 ISDIYGSMBMZUSB-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cccc(OC)c2)cc1Br 2323489772 JCYPFOYJXVOEHV-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2323991032 SQIYSCYBFMOUIY-UHFFFAOYSA-N 443.927 4.827 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2325302300 ZAJZBYYFSLYKQU-HNNXBMFYSA-N 430.485 4.950 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 2325471069 BVVYYBFDOXVIIE-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccncc1 2325817479 JYDYQEASYSURMP-UHFFFAOYSA-N 425.558 4.552 30 10 IJEE CCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(Br)cc2)c1O 2326617676 IXXIHJCTWIBTDQ-UHFFFAOYSA-N 447.358 4.628 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2327546860 RFXUSDNEKDFMIT-UHFFFAOYSA-N 443.916 4.969 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)C=Cc1ccc(C)cc1 2328563486 JVUXMNADANTIPZ-XMMPIXPASA-N 434.605 4.627 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(O)c(OC)c1 2328567036 CXOHKLFSCONKKO-UHFFFAOYSA-N 438.553 4.532 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccccc1[N+](=O)[O-] 2328858147 SHCWBUCQQRRGNB-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE Cc1ccccc1CCc1nnc(SCCO)n1N=Cc1ccc(Cl)c(Cl)c1 2329515650 UOJOOPSFHSZZFZ-UHFFFAOYSA-N 435.380 4.645 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2[C@H](C)c2ccccc2)cc(Br)c1O 2330047963 LNFSANRJLZFUIZ-GFCCVEGCSA-N 447.358 4.511 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccn1 2330639941 YOFWUMVRSAJUNJ-UHFFFAOYSA-N 442.548 4.516 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(Cl)cc2)cc1 2330938916 UKPUAEKEAJBDCA-GOSISDBHSA-N 443.916 4.866 30 10 IJEE Oc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1CCCO1 2331009195 VAHRSDHJAOFZIM-SFHVURJKSA-N 432.908 4.802 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2331396823 FXTUJWCTYHPMFP-UHFFFAOYSA-N 430.456 4.511 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)CCc1ccc(OC)cc1Br 2339445541 BWNVIKWMOZYMEH-KRWDZBQOSA-N 426.351 4.819 30 10 IJEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2339536644 LMKRCRFJKKADGY-YFOSEYIMSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339585010 JBZAEEVHDYQGPS-QFQMRYFISA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2339600305 RHRUZJUZIFITGS-XNJFDJPCSA-N 442.365 4.503 30 10 IJEE COc1ccc(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)cc1Br 2364926865 UVQQMIHGGFCOGT-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccccc2C)C3=O)cc(OC)c1OC 2105039 VGPSBIYHUCLHAJ-SRZZPIQSSA-N 446.455 4.856 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(OC)c(O)c2)cc1 21660463 MFZFMBLQFXJHDU-QMHKHESXSA-N 432.476 4.664 30 10 IJEE O=C1Nc2ccc(F)cc2/C1=C1/S/C(=N/c2nccs2)N(C2CCCCC2)C1=O 39865114 MHGHWNANMCWRPP-LMLQKDELSA-N 428.514 4.541 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 41285874 MIAOIAPLDDEJQG-JJFYIABZSA-N 430.412 4.568 30 10 IJEE Cc1ccc(NC(=O)CN2C(=O)/C(=N\Nc3ccc(C)c(Cl)c3)c3ccccc32)cc1 59165552 VFEPAALCSBUOKO-NFFVHWSESA-N 432.911 4.758 30 10 IJEE O=C1/C(=C\Nc2ccc(F)c(F)c2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 105336160 HFWYJGIRZUWBJY-WOJGMQOQSA-N 432.473 4.513 30 10 IJEE Cc1c(NC(=O)[C@@H](C)Oc2cccc(C#N)c2)cccc1C(=O)N1CCc2sccc2C1 108985421 UAAZSICUNFBTHN-QGZVFWFLSA-N 445.544 4.533 30 10 IJEE CCCOc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 136507617 YWCXZWVTBYEIHS-AYWGPLOBSA-N 431.488 4.999 30 10 IJEE CCOc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1Cl 169913693 LOSNCLGLWUCIFK-YVNNLAQVSA-N 425.316 4.884 30 10 IJEE CCOc1cc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 169939047 UEHJFPGBMDSNFI-QFIPXVFZSA-N 442.968 4.844 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1F 170071896 PUZFOQXJEUYDMX-QFIPXVFZSA-N 436.483 4.700 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)cc1 170085843 ZKRLVGHTKWGRCA-QHCPKHFHSA-N 430.504 4.708 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(C)o2)cc1 170102208 CBMPMLLFYSANNE-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)c1 170121377 RROWZAFMLXRVCN-QFIPXVFZSA-N 435.520 4.842 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(Cl)c2C)C(=O)N(c2ccc(C#N)cc2)C1=O 170134126 GDSHFUNVZGQZEL-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 170134677 PKPDUDRKWNXLLY-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(C)c2)cc1C(C)C 170139330 DLOJWFPSJLDMOU-HSZRJFAPSA-N 437.536 4.742 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1cccc(C)c1 170145761 RMJLOHJQOJKFHL-QHCPKHFHSA-N 437.536 4.645 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1 170173975 BZTGEFMRRTZJBU-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 170242803 HMJVHXRUGRAFIU-HSZRJFAPSA-N 432.495 4.509 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1c[nH]c2ccccc12 170422936 STBDQHARMIQFGE-DEOSSOPVSA-N 438.483 4.955 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 170444136 JMWCHWDPTMBXEM-FQEVSTJZSA-N 442.943 4.930 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)/C=C\c2ccc(Oc3cccnc3)c(F)c2)cc1 207069831 CYFXZISCACTNAA-SDQBBNPISA-N 432.455 4.972 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cncc(Br)c1)NCCC 406470780 LBKBXGZYMPZNPB-QZTJIDSGSA-N 426.399 4.614 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)[C@@H]2C 439241620 XQNYELSFIABSLT-GOSISDBHSA-N 444.539 4.655 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 444398968 VTNSOBQROVURRN-IBGZPJMESA-N 443.551 4.878 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 460794213 NPGPBQKGGPZNKO-IBGZPJMESA-N 435.355 4.543 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N(CCO)Cc1cnn(Cc2ccccc2)c1 475563040 BHFIYQIXSGBBEK-UHFFFAOYSA-N 432.568 4.810 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C 476791405 IFJZYXKYSTYCLZ-UHFFFAOYSA-N 428.598 4.771 30 10 IJEE Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)c12 484169584 RCKSEJXQJNOUCR-UHFFFAOYSA-N 428.540 4.770 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)[C@H]3C[C@@H]3c3ccc(OCc4ccccc4)cc3)[nH]2)c1 492053815 FMXDOSSGNDDVFL-RPBOFIJWSA-N 448.526 4.947 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 508460834 FVNFUYHALRZPSH-AWEZNQCLSA-N 433.343 4.588 30 10 IJEE Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)oc2ccccc12 523805596 IIYRBAHWYIFKMS-UHFFFAOYSA-N 425.444 4.660 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])o2)c1 526605739 FFNXRUHTWZJOAV-NRFANRHFSA-N 431.404 4.515 30 10 IJEE C[C@@H]1CCCN(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)C1 526689366 QGYQEHHICHYIHP-OAHLLOKOSA-N 437.952 4.821 30 10 IJEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1c(F)cccc1Cl 526831267 KJLWNHXIBIRZPA-AFPJDJCSSA-N 436.896 4.712 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 540486107 UQPWSOGMQPTMAW-VFNWGFHPSA-N 436.524 4.502 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 549256065 GDZQCKJSWHERRI-FQEVSTJZSA-N 434.588 4.592 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C2CCOCC2)CC1 549693551 RDWOPBDKZIGXCD-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 682777101 CVRSXINMSOAVMF-OAQYLSRUSA-N 441.597 4.977 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(I)ccc1Br 709489322 ULIDVFFAPADZDC-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE C#CCN(C[C@@H](Cc1cccc(Cl)c1Br)NCCC)C(=O)OC(C)(C)C 719443470 ODSVBVLCHSQBCE-MRXNPFEDSA-N 443.813 4.884 30 10 IJEE O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]c2cccc(F)c12 761813813 TWEKNIFZTMZSBM-QGZVFWFLSA-N 434.311 4.506 30 10 IJEE COc1ccc(Cl)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2)c1 762440866 UQFZNFXLUMWURH-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE Cc1csc([C@H](C#N)C(=O)COC(=O)c2csc(-c3cccc4ccccc34)n2)n1 778190897 HCVWBCQHBKFKKE-QGZVFWFLSA-N 433.514 4.762 30 10 IJEE COc1cccc(/C(C)=C\C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 787046820 SSZCNQHORJKWEU-LSZKTGNYSA-N 431.319 4.992 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 789719364 OIUJXXZOCYTTSN-UHFFFAOYSA-N 432.973 4.984 30 10 IJEE C=CC[C@@H]1N(c2nnc(CNC(=O)OCc3ccccc3)n2CC(=C)C)CCCC1(C)C 812182567 NPNYFWNWJCFLIO-NRFANRHFSA-N 437.588 4.852 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(F)cc1 812875620 VMKKQULIFPAAQA-HTAPYJJXSA-N 433.483 4.543 30 10 IJEE CC(C)c1nnc([C@@H](C)Sc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)o1 1084228246 YINIGGLTIJVJCE-SECBINFHSA-N 426.333 4.917 30 10 IJEE CCO[C@H]1C[C@@]2(c3ccccc3)C(=C(c3ccccc3)O1)C(=O)C(=O)N2c1ccccc1 1088741879 UARGELSDXPOUED-AJTFRIOCSA-N 425.484 4.692 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccccc2)C1 1116941546 WCVFOUBEJMGOTP-XMSQKQJNSA-N 438.959 4.901 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 1124469395 ZIHZMHQFFRSNNE-LJQANCHMSA-N 442.737 4.801 30 10 IJEE C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1127561430 AILFIXGESDWPEI-PSLIRLAXSA-N 425.300 4.753 30 10 IJEE O=C(Cc1ccc2c(c1)OC(F)(F)O2)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1127561615 FEZREOREQHEHME-HNNXBMFYSA-N 439.283 4.572 30 10 IJEE C#CC[C@]1(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1128055631 IWRRGVKIYXSOJJ-KSFYIVLOSA-N 438.490 4.718 30 10 IJEE C=C[C@H](OC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1)c1ccccc1 1130934946 ZZBVICFMKLESAI-YYWHXJBOSA-N 443.565 4.636 30 10 IJEE C=CC1(CC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)CN(C(=O)OC(C)(C)C)C1 1141752362 IGJQUKKSAUCSCT-UHFFFAOYSA-N 449.551 4.999 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 1158880552 BDGCVBWIGRREIY-LRDDRELGSA-N 441.359 4.772 30 10 IJEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl)c1ccccc1 1163096424 DTUALGZODDKKBB-JOCHJYFZSA-N 438.936 4.554 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)CCc1sccc1-2 1178312595 NSFDXXLSAYBVQQ-GFCCVEGCSA-N 439.990 4.945 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1ccccc1 1188361866 IXYWHRFTWCRLHI-KRWDZBQOSA-N 436.480 4.872 30 10 IJEE C=CCc1cc(CNC(=O)NCCCc2cccc(Br)c2)cc(OC)c1OC 1225351607 ZHMGXRMYJCKUSU-UHFFFAOYSA-N 447.373 4.627 30 10 IJEE C=C[C@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)c1ccccc1 1264674803 JEERSJNCACCLBR-GRYPHDSZSA-N 439.581 4.578 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)CCCN1C(=O)OC(C)(C)C 1264775476 OYGPTAQRGFOSLB-VWLOTQADSA-N 435.524 4.914 30 10 IJEE C=CCc1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc(OC)c1OC 1265117103 MWJJGCMLNBNEMN-HXUWFJFHSA-N 446.588 4.636 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC(C)(C)N(C)c2ccc(Br)cc21 1271534272 AOMRVZSPCGIYPI-OAHLLOKOSA-N 426.358 4.761 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1CCC[C@@H](C)C1 1286423961 ROCXAQSFXHXIEX-OAQYLSRUSA-N 438.019 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCCC 1286553154 UKLNMIBCHHFTPZ-PBHICJAKSA-N 439.423 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286573474 MCKNWEDFNWWYNQ-QFIPXVFZSA-N 447.583 4.575 30 10 IJEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(CC)(CC)SC)CC1 1286646078 MPDKJXZEFLVMOH-FQEVSTJZSA-N 428.602 4.869 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1286651711 JDXSLRSHSVHPQZ-WOJBJXKFSA-N 441.595 4.692 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1286670614 HTOVIXBEFBLOIJ-FPOVZHCZSA-N 426.605 4.938 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286672927 SNYXXYGOPZPOAK-UHFFFAOYSA-N 441.595 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](OC)C1 1286675531 OSUGWGRYXQIVDL-NRFANRHFSA-N 426.605 4.982 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C[C@@H]1CCCO1 1286693898 FOZDOXVQJRLTTD-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1Cc1csc(C)c1 1286742782 PXWOBVTYNPMFAG-UHFFFAOYSA-N 428.565 4.766 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CCc1nccc(C(F)(F)F)n1 1286746789 DLJXJJSOVYMXJS-UHFFFAOYSA-N 436.507 4.707 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)Cc2ccc(Br)cc2F)cc1OC 1287542300 AOEHHDRNOVBXKP-UXBLZVDNSA-N 434.305 4.833 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3ccccc3F)nnc2N2CCC(C#N)CC2)CC1 1287628520 BNNVFNLOYZCMEA-UHFFFAOYSA-N 438.595 4.582 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(OC)c(OC)cc3C23CCC3)cc1OC 1288907533 PFOPDMWELFYWLA-NTMALXAHSA-N 449.547 4.755 30 10 IJEE Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1-c1ccccc1Br 1293837034 HTKXXRBINSPHAS-NQIIRXRSSA-N 449.352 4.855 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCc1ccc(Cl)s1 1300449023 LDXZLQCGQFQESQ-UHFFFAOYSA-N 444.988 4.770 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1300468498 BASXVWMWLJOCLP-UHFFFAOYSA-N 449.986 4.747 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCCN1CCCC 1300572574 XMKSRFJQVILQFP-NRFANRHFSA-N 438.019 4.716 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cn(CCCCC)nc2C)CC1 1301120541 VLSDUBSGBDNBPV-JOCHJYFZSA-N 426.609 4.666 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCCC)cc2)CC1 1301129305 OATHHYIMRZBEKU-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1301160661 UJCMYXRJWRRVSB-MOPGFXCFSA-N 441.645 4.888 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(OCc2ccccn2)cc1 1301303051 SKUMGXONAOZKAD-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccccc2OC)CCC1 1301309664 HOIUCAIJVHWRMR-DENIHFKCSA-N 438.616 4.949 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCC[C@H]1C)C1CC1 1301316464 LGWJOJSSBFBLQQ-SZNDQCEHSA-N 449.368 4.553 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1301350919 DIOQVWWLKSXAMX-QZNHQXDQSA-N 442.579 4.565 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301612370 LRAZCBZJPOQISG-IBGZPJMESA-N 449.665 4.691 30 10 IJEE CS[C@H](C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1302540427 GXIWNFOGJMXJDA-SZNDQCEHSA-N 442.589 4.571 30 10 IJEE Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C(C)C)C2)n1 1304481518 DPVADTCADSSUEZ-QHCPKHFHSA-N 446.624 4.731 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)C1 1310179948 WYWZHSRARMABHO-QGZVFWFLSA-N 436.512 4.615 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2ncc(Cc3ccccc3F)s2)CC1 1310693443 HHVDFTLEKZUREB-UHFFFAOYSA-N 435.528 4.535 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cccc(C(=O)NCCOC)c1)c1ccc(C(F)(F)F)cc1 1310712620 ATUUTGYVNPHMLX-HXUWFJFHSA-N 449.473 4.911 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)cc21 1311252567 QSHZEXIXHXPGJG-UHFFFAOYSA-N 443.482 4.935 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(C)c2)C1 1311766996 ZFGUBPQRQKKPGS-LJQANCHMSA-N 446.378 4.991 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@H]1C1CC1)[C@H]1CCOc2ccc(Br)cc21 1312857815 ZOQNAXUZTWHHKN-QRFRQXIXSA-N 431.374 4.744 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2cccc(Br)c2)n1Cc1ccsc1 1316535827 CEQGDVQCTORFKO-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE CCCN(Cc1nc(O)c2sccc2n1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1318470804 DHEYFJLWSJNSPP-UHFFFAOYSA-N 445.504 4.508 30 10 IJEE COc1ccc(Br)cc1C1(C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 1352476764 GVFOXEXLZHYPCG-UHFFFAOYSA-N 431.355 4.940 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)n(C(C)C)n1)c1ccc2c(c1)OCO2 1353965368 ABVPTKSLXXTTOM-UHFFFAOYSA-N 433.508 4.913 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccccc1C 1358921662 FWQMWJOFEVZUJF-MRXNPFEDSA-N 426.362 4.955 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2cccc(OC)c2)CC1 1358924497 YMCUEIKOMGLPLT-UHFFFAOYSA-N 435.959 4.800 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cscn1 1359079284 FILWIZLPFZLFGC-UHFFFAOYSA-N 442.745 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC1CCCC1 1359113473 JPEWQGWLIBMFGF-UHFFFAOYSA-N 437.636 4.825 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC(C)(C)OC[C@@H]1C 1359123488 QTBQDMWYQSZQHA-SFHVURJKSA-N 432.996 4.831 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCC1 1359128128 KTTONCRMATWHQN-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cccs2)CC1 1359147398 FNHOXVAKJVKHAB-UHFFFAOYSA-N 434.396 4.735 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1359161192 TYKMTHKKFURNGU-UZLBHIALSA-N 434.382 4.540 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C)C1 1359199254 PPRCJIHKKUSFHS-AWEZNQCLSA-N 439.785 4.942 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359216255 SAHGEIDDSVTYPT-RXVVDRJESA-N 426.561 4.541 30 10 IJEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCC(C(F)(F)F)CC1 1359242852 VWCGOCYFMLFQSV-UHFFFAOYSA-N 432.494 4.508 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCNC(=O)C(C)(C)C)C1CC1 1359253925 YYPLYZNORYZULT-UHFFFAOYSA-N 448.036 4.541 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCN1CCC[C@H]1C 1359261915 ZVUQWXZMSLWROM-LJQANCHMSA-N 439.604 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1359263546 DQAVQIQQFDNCLB-QFIPXVFZSA-N 433.691 4.558 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCOC2(CCCCCC2)C1 1359340442 NAMDAMABRFEXLM-UHFFFAOYSA-N 430.593 4.933 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1359341637 CLMFDLLSVAKAPW-SLFFLAALSA-N 434.650 4.613 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1Cc1cccnc1OC1CCCC1 1360480616 DCUAENONEWZPOG-HXUWFJFHSA-N 444.583 4.566 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2c(F)cccc2NC(C)C)nnc1-c1ccco1 1452531274 HRDJADMURVNTQX-UHFFFAOYSA-N 429.521 4.804 30 10 IJEE CO[C@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1Br 1458164985 BZQFPJKGLXTKNS-KRWDZBQOSA-N 428.311 4.770 30 10 IJEE N#Cc1cc(NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)ccc1OC(F)(F)F 1459522170 AEGBDRQNKONQQK-UHFFFAOYSA-N 442.184 4.597 30 10 IJEE CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)CC1 1460469614 GLOOUBNRINMHRH-NVXWUHKLSA-N 447.670 4.557 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 1462954349 JXIULRRDPPZBAF-UHFFFAOYSA-N 429.321 4.928 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c1 1465628806 XPOSLBBJMAISKZ-IBGZPJMESA-N 428.330 4.570 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(N(CCC)C(=O)c3cccs3)CC2)c(Cl)c1 1467402969 NRYQRNSESLQDMR-UHFFFAOYSA-N 429.973 4.932 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1 1469246751 JXYIKSNJSOSHKX-SFTDATJTSA-N 448.032 4.779 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)c1ccc(Br)cc1 1469270803 HRIJJENDHGQUCP-IERDGZPVSA-N 426.358 4.784 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCc2c(Cl)ccc(Br)c2C1 1470068148 APQGBOGHXDAEIT-IBGZPJMESA-N 430.733 4.729 30 10 IJEE C=CCCC(=O)CSc1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2o1 1472957260 DNKBJGJCUDGAIJ-UHFFFAOYSA-N 436.942 4.909 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(C)sc(C)c1Br)c1ccc(Cl)cc1F 1475285621 JGDRLXFFHULNKP-ZDUSSCGKSA-N 436.755 4.573 30 10 IJEE C=CCC1(NC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)CCOCC1 1475930210 MUYPAVYMQHAODG-UHFFFAOYSA-N 441.475 4.879 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc3c(Br)ccnc23)cc1 1476608494 JASFCJJSQZCMIY-UHFFFAOYSA-N 440.301 4.949 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](CO)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1478272668 OHFMMNGBUPJILB-WIYYLYMNSA-N 436.474 4.797 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1478916536 YITKJINJGYYHMW-QFIPXVFZSA-N 446.551 4.622 30 10 IJEE Cc1noc(C)c1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N 1493003245 FQRUJCVHMGPKNV-GFCCVEGCSA-N 433.343 4.838 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](c2ccco2)N2CCCC2)cc1 1497828730 FFVTXEOHYVAUMK-UGKGYDQZSA-N 432.572 4.676 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C 1507571033 OQGJRRAYISQFPS-UHFFFAOYSA-N 427.936 4.555 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507578195 VPUFPKIQEYAYDW-LJQANCHMSA-N 449.555 4.598 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)C1CCCCC1 1507685950 YPJBKYSEXKCFFE-UHFFFAOYSA-N 430.600 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1507799447 WKYOLIKUFXDMGW-KCESLBEFSA-N 440.588 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)Cc1csc(CC)n1 1507829219 TZQXBBBZIOEBOF-UHFFFAOYSA-N 427.574 4.584 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(Br)o1 1507847622 OQUXCVJESVZDIC-UHFFFAOYSA-N 437.382 4.595 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(COC)o1 1507866823 DFXUIOBDFZBTSW-IBGZPJMESA-N 442.947 4.711 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2oc(CC)nc2C)CC1 1507896422 JGPRVMPJXDEMOK-QGZVFWFLSA-N 439.535 4.867 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ccc(Cl)cc2)CC1 1507903269 BQDHBKCSFFZFOM-UHFFFAOYSA-N 444.004 4.769 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC1CC(F)C1)c1ccccc1 1507927732 CDMNQJLIAXSDQZ-GTMAMOSYSA-N 436.579 4.684 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507933075 FYOFSISFADSYMG-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1507938903 DSDSDMSHRQMVBT-VXKWHMMOSA-N 434.588 4.941 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@@H]1CCO[C@@H](C)C1 1507973762 NAQNQRNBXGHMIG-VQTJNVASSA-N 436.556 4.945 30 10 IJEE C=CCN(C)c1nnc(CCCc2ccccc2)n1Cc1cc(Br)cs1 1507981364 GRRSAYYVPKTZEO-UHFFFAOYSA-N 431.403 4.948 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 1508024764 LGLVXEWZFUTMJQ-UHFFFAOYSA-N 425.552 4.657 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1508050188 RKKDDOHUAMAVEZ-LJQANCHMSA-N 429.996 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)N[C@H](C)c2ccccc2)C1 1508127078 WNTQRWYDEAMYDG-OFNKIYASSA-N 437.632 4.846 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Cl)cc1 1519828761 NAUXSOJCZYVNAH-RYQLBKOJSA-N 431.005 4.819 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CC(C)C)c1 1520147117 PIKAAWLLPOTDBO-KRWDZBQOSA-N 434.989 4.886 30 10 IJEE Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc(C)c1Br 1520567554 BTNQCPSQYGRASJ-CQSZACIVSA-N 446.732 4.583 30 10 IJEE C=CCN(C(=O)c1sc(-c2ccccc2)nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1522959372 NESBBULRJUKHGI-NRFANRHFSA-N 434.561 4.921 30 10 IJEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Oc3ccccc3F)nc2)c1C 1523316892 HTTJWWMNDYJDOC-UHFFFAOYSA-N 427.439 4.940 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)c1nc(-c2ccccc2)cs1 1524295436 KDFOVXWMUQECCU-HXUWFJFHSA-N 431.561 4.999 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(C(F)(F)F)cc1 1526561831 SYDRHZNGHZCLDP-NQIIRXRSSA-N 441.453 4.754 30 10 IJEE Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccc(C#N)cc2)c(Br)c1 1530935989 DTMAGCNDOCEDLW-NRFANRHFSA-N 441.369 4.770 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 1532322653 BYBNWGYNJMYIIL-IFMALSPDSA-N 436.600 4.935 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2Br)CCC1 1534806339 AKIPKFCNXKDVFM-UHFFFAOYSA-N 427.342 4.716 30 10 IJEE O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccn(-c2ccc(F)cc2F)n1 1537303688 FIYBTGZNKAALDD-INIZCTEOSA-N 447.310 4.785 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539052488 DUDFINRDHKRYDM-HSALFYBXSA-N 431.625 4.725 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C2CCOCC2)C1 1539094496 QNMSUTWQRUJUBC-FYYLOGMGSA-N 436.600 4.701 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(N(CC)CC)nc1 1539154735 MVQVCIFWMDATLU-UHFFFAOYSA-N 448.640 4.634 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)C2(CCC2)C1 1539526758 UVQCXNMRLNJUHO-NRFANRHFSA-N 438.641 4.857 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCCCCC1 1539641163 LFHHFOKZRLGGNU-AUSIDOKSSA-N 428.552 4.748 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OCCC)CC1 1539648091 ZESRSGPZGRPBPP-XJUOHMSHSA-N 444.645 4.697 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(C)COC2)CC1 1539828102 FENMFUOXMZZMCF-SFHVURJKSA-N 430.980 4.881 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1539856266 WNGPMNWUZCYTFB-FQRUVTKNSA-N 438.616 4.862 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)CC 1540185123 NNPAKLLPENVBPU-UHFFFAOYSA-N 446.555 4.858 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1540854588 RKGUMWMMMDOHQJ-LPHOPBHVSA-N 445.995 4.914 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccco1 1540919662 FAAVOJQOBRVXMU-HXUWFJFHSA-N 435.553 4.582 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](c1ccco1)N1CCCCC1 1541427875 CUSCFPLEDUIHPD-QHCPKHFHSA-N 446.599 4.805 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1OC 1543850066 YDVPNQIYBCTZBY-WEVVVXLNSA-N 428.941 4.895 30 10 IJEE CCOc1cc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)ccc1OCC(=O)OC 1544832473 GVLVPCRXTZWOJE-UONOGXRCSA-N 442.537 4.508 30 10 IJEE C=CCC[C@H](NC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccccc1 1545981463 STFIVJJEZGUOFE-QHCPKHFHSA-N 442.625 4.721 30 10 IJEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCOC1CCCCCC1 1554305334 AEGHMSWBKQDJLM-UHFFFAOYSA-N 439.604 4.807 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@@H](F)C1 1555555423 CJKLQYUFXDZKFZ-YQVWRLOYSA-N 445.608 4.636 30 10 IJEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1556312697 BKGLUJSOVMCIHW-CQSZACIVSA-N 429.904 4.647 30 10 IJEE N#Cc1ccc(Br)c(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 1559451148 DQGHTSKPHOQDSM-UHFFFAOYSA-N 431.620 4.593 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc(OC)c1OC 1563815133 WOTWNIGMGKVRGY-UHFFFAOYSA-N 426.532 4.736 30 10 IJEE C#C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 1583550349 XTSAZNIJOOPPNP-AWEZNQCLSA-N 428.819 4.850 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1coc(-c2ccc(OC)cc2)n1 1584206041 QGZOBOSJYKUQBR-UHFFFAOYSA-N 446.425 4.906 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 1586031586 MYOKPHNIYHUCTI-SSEXGKCCSA-N 432.586 4.653 30 10 IJEE C=CC1(CC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)CCCCC1 1586885603 BIVDRWSMUXVYNX-OALUTQOASA-N 440.481 4.715 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1 1587964547 JZCIFRWPWUKVEG-UHFFFAOYSA-N 428.703 4.972 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1sccc1C 1588181269 QCOKRJQCNXQLDJ-IBGZPJMESA-N 436.556 4.633 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1589070277 RMYLKQUFYIWPKW-UHFFFAOYSA-N 444.620 4.558 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1593763661 OAYJEOWRIAQBFV-SZPZYZBQSA-N 438.616 4.974 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1594128331 PPJNVKBAFDVUHJ-DENIHFKCSA-N 428.552 4.748 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCCN2CCC[C@@H](C)C2)CC1 1594133973 ICOUVGSELQBSRC-OAQYLSRUSA-N 441.595 4.665 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1594225796 DZLQTPZBBAQWNJ-UHFFFAOYSA-N 447.583 4.783 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC)CC1 1594569200 ZYFSJUGRDLJDLT-UHFFFAOYSA-N 429.996 4.844 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1594687378 OUXWCXVWYTVALN-QGZVFWFLSA-N 447.511 4.547 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1594767247 QCZROTSDMWJHAC-NRFANRHFSA-N 425.646 4.910 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccnc1Sc1ccc(Br)cc1)C(=O)OC 1596243207 DTLLSYBGKCRTTH-QGZVFWFLSA-N 449.370 4.623 30 10 IJEE C=C(C)C[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)OC 1596794848 KJNAGZSCSIVFQX-MRXNPFEDSA-N 426.563 4.705 30 10 IJEE C#C[C@@H](NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)c1ccc(Cl)cc1F 1597003409 RLPWPIWJGRPSDI-QGZVFWFLSA-N 431.298 4.941 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1OC 1621307251 HRGFJVYQRBQMLV-CQSZACIVSA-N 429.904 4.823 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)CCc1ccccc1Br)c1ccc(F)c(F)c1 1622047316 PXFNWSQOSSNAPZ-SFHVURJKSA-N 430.314 4.507 30 10 IJEE CCNc1ccc(C#N)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1622946940 FBAHCHQCERSGCH-UHFFFAOYSA-N 448.548 4.660 30 10 IJEE C[C@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CN1Cc1ccccc1 1630157827 CYMINVNGZHDKDB-CPJSRVTESA-N 425.532 4.530 30 10 IJEE C[C@@H](NC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(F)cc1 1638813591 CVPMTRKCUZAAQQ-DIFFPNOSSA-N 438.343 4.655 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccc(C)cc1 1641018988 GUFPYEDSVCKHRF-IQJRZOLZSA-N 437.613 4.851 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1O 1641354125 QORQMGCKXQUZMM-AOMKIAJQSA-N 438.524 4.526 30 10 IJEE C=CCCONC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1641575523 PGNVBHOTWNZDRN-VWLOTQADSA-N 442.515 4.890 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](NCc1ccccc1)C(F)(F)F 1641582623 VALZPIUQFVDXOA-SFHVURJKSA-N 446.391 4.721 30 10 IJEE Cc1sc(NC(=O)CN[C@H]2c3cccc(Br)c3CC2(C)C)c(C#N)c1C 1643228899 IFEJNZYDYRLERL-SFHVURJKSA-N 432.387 4.851 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC(C)(C)[C@@H]2c2cccnc2)n(Cc2ccc(F)cc2)c1C 1644003695 BANPUNDZBPSHJY-DEOSSOPVSA-N 445.542 4.581 30 10 IJEE C#CCOCCN(C)C(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1648264793 RYPXNNDJVFNEBD-RZUBCFFCSA-N 445.625 4.505 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2COC3(CCCCCC3)O2)cc1OC 1650866355 MYWJSOXXORNOHJ-KRWDZBQOSA-N 440.378 4.578 30 10 IJEE C=CCC1(O)CCN(C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)CC1 1652167072 OTJDIOLNYGJYRJ-UHFFFAOYSA-N 436.936 4.645 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@H](c3ccccc3)[C@H]2C)cc1 1652655397 DABKCPPKRARFCJ-YKSBVNFPSA-N 442.563 4.791 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)Cc1ccccc1F 1653202322 GSJNCHRJYNOQDP-UHFFFAOYSA-N 434.490 4.871 30 10 IJEE CCOC(=O)[C@H](C)N(CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2)C1CC1 1654172371 BHUCEUYZMXJSBS-JKSUJKDBSA-N 445.629 4.515 30 10 IJEE C=CCC1(CNCc2ccc(Br)cc2SCCS(C)(=O)=O)CCCC1 1656244222 MBFIMCOWYCFXJY-UHFFFAOYSA-N 446.476 4.812 30 10 IJEE CC(C)Oc1cc(CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C2CC2)ccn1 1657825203 DPARZWKWQBKGCT-UHFFFAOYSA-N 438.597 4.674 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 1662653507 ASVZOTAILWUJKD-OXJNMPFZSA-N 448.972 4.541 30 10 IJEE N#Cc1cccc(CN2CCC(NC3CC(c4ccc(Br)cc4F)C3)CC2)c1 1665131728 DRFUZGMOWFLSRT-UHFFFAOYSA-N 442.376 4.960 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1665644379 OBIDWSFZNFQADM-WMLDXEAASA-N 436.375 4.599 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3cccc(F)c3F)CC2)cc(OC)c1OC 1667710873 ADAOYRCLHOBXKX-UHFFFAOYSA-N 444.522 4.875 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1671796638 WYWSXULKGIAPRY-UHFFFAOYSA-N 447.560 4.772 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(CCCn2ccnc2)CC1 1672708441 MQGDOGPNMHIBKF-UHFFFAOYSA-N 447.377 4.935 30 10 IJEE C=CCCSCCNC(=O)Nc1cc(F)c(Cl)cc1I 1673464869 DDFQTRMNNYVKDS-UHFFFAOYSA-N 428.698 4.515 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(ccc(OC)c2OC)[C@@H]1CC)c1ccc(Cl)cc1F 1674036003 ITKADQRQXYOUJG-UXHICEINSA-N 430.907 4.890 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCCc2cc(OC)c(OC)cc21)c1ccc(Cl)cc1F 1674036055 JZEOLXAPACGXKR-VQTJNVASSA-N 430.907 4.938 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c1 1674518828 KXQFTZMGJHCIJR-NRFANRHFSA-N 441.572 4.588 30 10 IJEE N#Cc1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)ccc1Oc1ccccc1 1676714648 CTWVRZQRMABFTI-DEOSSOPVSA-N 442.519 4.546 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(C)cc1OCC(F)(F)F)c1ccc(Cl)cc1F 1680342661 LIFJMYOBVYQHNH-KRWDZBQOSA-N 428.813 4.902 30 10 IJEE CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 1680809309 GJQVCWZCINTOAS-GOTSBHOMSA-N 426.511 4.788 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1F 1684421577 BEOGUSROKMVUMG-KXBFYZLASA-N 439.840 4.750 30 10 IJEE C=CC[C@H](CC)NC(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1686285030 KKGJUGQYBJDUCX-JMRXEAOASA-N 442.368 4.684 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CC(F)(F)C1 1690054181 POMZQUKCIGUJDG-UHFFFAOYSA-N 440.538 4.797 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C(C)C)N1CCCC1 1690063768 OWHUNMVRQLLJDF-TZIWHRDSSA-N 439.673 4.711 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1690165733 IJVHZMLAFPGPNK-OAQYLSRUSA-N 436.581 4.817 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(C)s1 1690239716 ZWRXJUVSJITNDB-DENIHFKCSA-N 438.597 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCN(C)C(=O)OC(C)(C)C 1690258563 KNTHSIXGNGHFTA-UHFFFAOYSA-N 433.984 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)CN2CCCC2)CC1 1690405078 ZLRRVVISRHSAIX-KRWDZBQOSA-N 431.987 4.872 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC2(C1)OCCO2 1690447593 SOHWFOXCXITDLT-SFHVURJKSA-N 445.995 4.719 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1690455611 LPNQOXVZJYHGMG-SFHVURJKSA-N 439.947 4.626 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1690509869 LWDLAUNNVHDQME-UHFFFAOYSA-N 436.581 4.522 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(CC)(CC)OC 1690520451 XGQMKOKOYLFHLM-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCN1CCCC[C@@H]1CC 1690563622 XYGXYWILBOJODZ-QHCPKHFHSA-N 432.616 4.741 30 10 IJEE CSc1cccc(F)c1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@](C)(C#N)C1 1698377655 GKSYROWNQWJJHL-QFIPXVFZSA-N 425.533 4.886 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)C1CCCCC1 1705675395 NJHWLCMNFDFJIM-RUZDIDTESA-N 440.035 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCc1cccs1 1705705731 KUCWJBDHILNXTA-NQIIRXRSSA-N 428.627 4.652 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1705719018 IGDDKMNBHUQPBY-NRFANRHFSA-N 431.575 4.994 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705745692 GGRGDLWUWJNXBL-QGZVFWFLSA-N 448.905 4.546 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC(C)C)C(C)C 1705760236 DGKWRLMRLOGYSW-KRWDZBQOSA-N 426.005 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 1705802061 AJQACVDWHGZHJM-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1c(C)coc1C 1705838131 DJYDVHVZDFHKMG-UHFFFAOYSA-N 431.334 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1705839253 UCLAYPHKUCROKU-HTAPYJJXSA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(F)(F)CO1 1705859243 MMYFMZJDPGCANF-SFHVURJKSA-N 445.901 4.610 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1CC1CCOCC1 1705867717 UGEYJIGDIHPBHX-UHFFFAOYSA-N 442.560 4.677 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC2(CCC2)C1 1705941080 YJSQEJVZNIYNCS-FQEVSTJZSA-N 442.629 4.713 30 10 IJEE COC1(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H](C)C#N)CCC1 1711615371 GFQQVSXRIHMCAX-IRXDYDNUSA-N 431.968 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](CC)N1CCCC1 1722301652 DDZREFMVDCWPLA-PKOBYXMFSA-N 432.037 4.556 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1nc(C)c(C)s1 1722407689 RHJKPMXHPYLJPC-INIZCTEOSA-N 444.004 4.847 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1Cc1nc(C(C)C)cs1 1722474460 MFLPJTXNKVXAQM-XMMPIXPASA-N 435.597 4.520 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(CC)(CC)C1 1722486817 FITIUEUZFZEMBN-UHFFFAOYSA-N 447.421 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@H]1C 1722497730 ZWLUYJDTHOFOSV-XLSPSMHOSA-N 445.405 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H](C)c1ccco1 1722506347 ULURTESVJIUXCM-REHUZNOOSA-N 436.556 4.937 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1722518616 AYVYEDNUWMDKRT-OAHLLOKOSA-N 444.377 4.828 30 10 IJEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CCC 1722536306 DEKGTGLHHMMBPL-LJQANCHMSA-N 449.640 4.610 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722548548 KFRFZGXRXOCGCQ-DLBZAZTESA-N 437.769 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2c(cccc2OC)C1 1722592600 XRXBNEDPAPBBMP-UHFFFAOYSA-N 437.613 4.807 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2ncccc2F)CC1 1722600014 JNFLLNKQHIDKMI-UHFFFAOYSA-N 446.530 4.755 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCCN1CCCCC1 1722663614 CZKBAQDNLMWHPL-NRFANRHFSA-N 429.634 4.650 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1722673955 KZRDEWIPSGGEDF-FGZHOGPDSA-N 449.555 4.538 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCCCC1 1722861895 DQFJTVKJSPQIJV-RBUKOAKNSA-N 440.661 4.603 30 10 IJEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1726821163 BTFJFVPKRZJGSD-WXTAPIANSA-N 445.567 4.809 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1740835790 WHDPCQWDPYPKQK-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nccs2)C1 1740860313 ZNKYIVMTFGLHCR-SFHVURJKSA-N 429.977 4.989 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2C)CC1 1740860941 VTHMGVRKBPBVLL-UHFFFAOYSA-N 436.991 4.985 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740869272 IAKBPQMOEUCMLV-RBUKOAKNSA-N 443.592 4.942 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCSC1)C1CC1 1740907824 ZTQIABMURBFFSI-AWEZNQCLSA-N 449.418 4.624 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1oc(CCC)nc1C 1740916881 ZSMNKEWPVQDSGD-UHFFFAOYSA-N 430.556 4.907 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1CC 1740919413 FKRCOTQMJFHGFO-RTBURBONSA-N 427.568 4.574 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1Cc1ccc(F)cn1 1740920267 KOQFGIKEKJFEQP-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCc2nccn2C1 1740926052 QOTNHJCUBFQTFP-FGZHOGPDSA-N 446.599 4.672 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccoc2)C1 1740986151 WNXAAKSKQBFXJR-QFIPXVFZSA-N 436.556 4.577 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1740998678 RWUWZBVLTIIENM-UHFFFAOYSA-N 449.580 4.685 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](C)[C@H]1C 1741001057 JWPOYOJEFACRME-SJORKVTESA-N 441.626 4.850 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H]2C)cn1 1741327553 BINMQXJSRPEBDI-PGRDOPGGSA-N 429.572 4.803 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2cccs2)ccc1OC(C)C 1748513694 DLIOGBRUIOLRPD-KRWDZBQOSA-N 439.585 4.641 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1748868417 WHNFAKHJTMQRMJ-KSCKTEMCSA-N 445.655 4.793 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)C1 1749027394 OCCQKUCGEUGRRP-UHFFFAOYSA-N 427.376 4.803 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCCN(CCC)CCC 1749064354 SPOJMTORIVKOHV-HHHXNRCGSA-N 446.643 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCOC1 1749148691 BWCGYPNLKYGTKE-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](CCOC)C1 1749256742 BGJRPNHSXNKQHT-GOSISDBHSA-N 442.947 4.732 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1749390783 JRWUHFNDLNWUBJ-QFIPXVFZSA-N 447.505 4.703 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1CC1 1749515187 RKLGDPQEFMXHHJ-QGZVFWFLSA-N 443.567 4.885 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCCc1cccc(C)n1 1749550919 LMGCROFYQBDTRK-UHFFFAOYSA-N 432.597 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCC(F)(F)C1 1749551090 RFOXIVBTHZYXLL-SJLPKXTDSA-N 449.571 4.699 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)CC 1749554135 PFUUAQMBYPCDIE-JOCHJYFZSA-N 431.005 4.937 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCC1(C)C 1749560144 GWSSIVJHDUNQNU-IBGZPJMESA-N 442.007 4.866 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CCCO1 1749584122 GVBKRRHYABOXIG-XMMPIXPASA-N 437.975 4.798 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1749584779 RBTBYNVRBAHAMZ-QFIPXVFZSA-N 432.616 4.561 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C)(C#N)CC1 1749752452 QHMMSVSXGGHXCT-UHFFFAOYSA-N 434.569 4.649 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCCCC1 1750059465 ACQKBDOPUAYNOQ-OALUTQOASA-N 445.011 4.543 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1cccc(F)c1 1751201661 DANYHZXQCATDEJ-XWDORNJCSA-N 443.567 4.542 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOc2ccccc2Cl)n1 1751617007 GLXQDHZOHDDIEG-HSZRJFAPSA-N 436.947 4.511 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCSC1(C)C 1760241594 DSBDPPSAIGJBRT-FPOVZHCZSA-N 442.604 4.830 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC(C)CC1 1760296838 ZTTXYOOUXDTMJF-CJFMBICVSA-N 440.035 4.635 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760371612 FYQFZVDDZMWOQZ-UHFFFAOYSA-N 449.773 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1760414608 WXVWGUVLXJZBEX-WOJBJXKFSA-N 445.652 4.963 30 10 IJEE C=CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc([N+](=O)[O-])c1 1760430890 XKIKLLNZLZUJRS-KRWDZBQOSA-N 429.431 4.730 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760446939 AUVODDBVDZAWGP-QFIPXVFZSA-N 434.588 4.501 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1760451048 YOVCVWZYUACZOZ-IBGZPJMESA-N 438.494 4.768 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1760481639 ZFMJQVXBMNYBDR-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1 1760482304 FXQMPHWCKTVSLV-OZXSUGGESA-N 431.584 4.804 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CCCN(C(C)(C)C)CC1 1760567890 POCIMYAZGGVYGT-UHFFFAOYSA-N 441.689 4.683 30 10 IJEE CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1)SC 1762120248 FKVKUNJQQJAQPH-IIBYNOLFSA-N 449.571 4.921 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CCC#N)CCOC 1765081994 ASUAYMMBTXABRN-LEWJYISDSA-N 446.599 4.995 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C)CCCC2)cc1 1766023768 AXNBCAFOIAZUGC-MHECFPHRSA-N 441.551 4.839 30 10 IJEE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNc2cccc(C(F)(F)F)c2)CCC3)CC1 1772751256 ZEHWWAYDUCLFQL-UHFFFAOYSA-N 448.489 4.537 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)COc1ccc(Cl)cc1Cl 1861681105 PVCHECHTEPBJCG-SFHVURJKSA-N 429.388 4.840 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862445484 WRKRYHHENLHTHC-NRFANRHFSA-N 444.934 4.789 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1C(=O)O 1862459013 ABNFTPVHIWPSFM-LJQANCHMSA-N 447.409 4.571 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(O)cc2)cc1 1862529150 BWCBSOYUKVBNCL-JOCHJYFZSA-N 433.529 4.837 30 10 IJEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(O)c2)cc1 1862555596 XSQKGCFUZKJYCZ-FYSMJZIKSA-N 442.515 4.876 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(O)c2)cc1 1862661336 DQUXJXMKIAECIZ-HSZRJFAPSA-N 428.488 4.689 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862746777 JMFVNXOJWBDXQM-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862759274 NLZNIQQIPMHAGL-QGZVFWFLSA-N 434.370 4.600 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(Cl)c3)=C(c3ccccc3F)C2=O)cc1 1862926075 UPLGMMWFZNMVKE-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCOc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2cccc(C#N)c2)C1=O 1863131921 RMKOYJAHTKJAHT-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3ccc(F)cc3)C2=O)ccc1F 1863463148 YPZILPXDFWHJCO-UHFFFAOYSA-N 443.453 4.580 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)c2ccc3c(c2)CCCC3)=C(c2ccc(OCCC)cc2)C1=O 1863683637 XDWXHYUDHMNUMA-IBGZPJMESA-N 444.575 4.971 30 10 IJEE CCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(OC(C)C)cc2)C1=O 1863696878 WEBMROABXGKNHB-JOCHJYFZSA-N 442.600 4.683 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C 1868709944 QBHXHIPCJFVVTH-VXKWHMMOSA-N 446.657 4.572 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870108355 CEQXUBTUFRQRBO-JOCHJYFZSA-N 441.922 4.816 30 10 IJEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870245984 NAIOQXVGCUZZBD-UHFFFAOYSA-N 447.560 4.780 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1ccc(C)cc1C 1871155981 LSMBMWLQENVCKX-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CCCCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc3c(c2)OCCO3)[nH]1 1871298792 IJTFXFPWBKLUIL-UHFFFAOYSA-N 438.576 4.853 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 1872136953 OHGDYCINEQHPAH-QHCPKHFHSA-N 444.597 4.850 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1872261672 LVMJGLDWOYWRDP-GOSISDBHSA-N 444.981 4.771 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1 1872783821 IQFDJIIBDMVWBA-CQSZACIVSA-N 443.868 4.879 30 10 IJEE C=CCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873091172 KDYDZRGRQVDEED-UHFFFAOYSA-N 435.738 4.745 30 10 IJEE C=CCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873127579 VTYSZIBWMZMFPS-UHFFFAOYSA-N 440.330 4.573 30 10 IJEE O=c1c(Br)c(N/N=C/c2ccc(Cl)cc2)cnn1-c1cccc(Cl)c1 1873526936 CZWUKCBEDDPPOQ-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE N#Cc1ccc(CN2CCC(NC(=O)CCCOc3ccc(Cl)cc3Cl)CC2)cc1 1873723970 ATJUTFYLXQHPOY-UHFFFAOYSA-N 446.378 4.805 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(N(C)C)cc1 1874249767 LNAMVELUAKLUEL-XIEYBQDHSA-N 435.597 4.824 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc[nH]1 1874288670 DARSKQFGQYDNDD-AFUMVMLFSA-N 433.537 4.677 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccn2C)cc1 1874304732 NQGSVXDUYCKPBM-YZSQISJMSA-N 445.592 4.893 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 1874428673 WEJMBYJSCBXEHY-KOEQRZSOSA-N 428.517 4.860 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)cc1O 1874445724 JJUKQMYHWUWLTI-UQQIOGDDSA-N 438.553 4.635 30 10 IJEE CCOc1c(Br)cc(/C=N/n2c(SC)nnc2C2CCCC2)cc1OC 1874451843 RKUZTRAMPHUVFJ-RGVLZGJSSA-N 439.379 4.710 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2)c(C)c1 1874486607 BEDBUEIVCQUTHR-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1c[nH]c2ccccc12 1874490686 DYNGIUKGUZOFJD-MFKUBSTISA-N 440.617 4.581 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cn(C)c2ccccc12 1874503746 XVXDPMCVCZCBAP-AFUMVMLFSA-N 446.580 4.644 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CC2)cc1 1874517791 LGOXZKMZVOPBAH-AFUMVMLFSA-N 433.581 4.948 30 10 IJEE Fc1ccccc1COc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1874561518 VPYWXJXGOAGAQZ-AFUMVMLFSA-N 434.496 4.746 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 1874603226 QDAOTXXTUWYMBW-RIYZIHGNSA-N 431.488 4.926 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1874620664 MNKMTVIEMBMHOX-XYOKQWHBSA-N 443.499 4.988 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 1874746145 GLDNCDGFFFVUTM-UHFFFAOYSA-N 428.872 4.714 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC 1875119554 AFVFCIBIATZDHU-WYMLVPIESA-N 432.472 4.757 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Br)c2)c1 1875144358 BXNWUYCVQKXXAV-VMPITWQZSA-N 433.298 4.924 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(=O)COC 1875188262 RDGSLGKSKLRYLU-FNORWQNLSA-N 439.291 4.849 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)cc2)c(OC)c1OC 1875194202 MQPLXQPCSAHALN-UKTHLTGXSA-N 430.522 4.657 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC4CCCC4)nc3)ccc21 1890632732 FRBBXJPDWLIJSG-UHFFFAOYSA-N 435.524 4.593 30 10 IJEE C=CCN(CC(=C)Br)Cc1cc(Cl)ccc1I 1916848791 SPIUXTFWBXTJMP-UHFFFAOYSA-N 426.523 4.841 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3ccc(Cl)c(Br)c3)C2)OC1(C)C 1965482990 WOOJNIPYVXAERE-ZDUSSCGKSA-N 428.563 4.801 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 2038658898 RORHUJVKNWSSQA-XCZPVHLTSA-N 434.624 4.687 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)CC(O)(C(F)(F)F)CC1=Cc1cccc([N+](=O)[O-])c1 2053587438 KAWVXILWLJXRPT-UHFFFAOYSA-N 448.353 4.626 30 10 IJEE CCc1nn(-c2nc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1C(=O)OC(C)(C)C 2079234242 QWLYXGQYJOGPRP-UHFFFAOYSA-N 427.320 4.962 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1Nc1cc(Br)cc(C#N)c1 2162300790 JBKVIOYPCRXEPD-RBUKOAKNSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(Oc2nc(Cl)c(C#N)s2)(C(F)(F)F)CC1 2190577287 WGPUYPGPRZAPQA-UHFFFAOYSA-N 425.860 4.815 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2ccc(Br)c(F)c2F)C3)OC1(C)C 2194188899 TWTGNOBPRJYXHC-BFUOFWGJSA-N 428.126 4.786 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(OC)ccc2Br)NCC)C1 2197751978 IQUFKZXAVZBPAN-GOSISDBHSA-N 439.394 4.592 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COc1cc(Br)cnc1C#N)CC1CCCCC1 2198819065 CSURYZKXBORGNP-MRXNPFEDSA-N 438.366 4.958 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 2241481269 SNCRVMMSGPKQJR-UHFFFAOYSA-N 442.368 4.532 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2261823777 OQYXYBFJHIEBFX-ZUQZZMKOSA-N 435.564 4.817 30 10 IJEE CC1(C)OB([C@H]2C[C@@H](C(=O)N[C@H]3CN(Cc4ccccc4)C4(CCCC4)C3)C2)OC1(C)C 2267112338 FHBYKYFHHPAABT-BHIFYINESA-N 438.421 4.562 30 10 IJEE Cc1c(COc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cccc1NC(=O)OC(C)(C)C 2268359635 UVCMRBVJBUIQCD-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 2268654183 WBZRWXZKGSIFMG-UHFFFAOYSA-N 442.365 4.849 30 10 IJEE CC1(C)OB(c2cnc(NC3CC(OCc4ccccc4)C3)c(C(F)(F)F)c2)OC1(C)C 2273008434 BZYYWVXJHZNYKA-UHFFFAOYSA-N 448.294 4.559 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@@H](O)C#Cc1ccc(Br)cc1 2278790503 NKLFMONIWOWESJ-IRXDYDNUSA-N 442.419 4.587 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@](C)(NC(=O)OC(C)(C)C)C1CCC1 2296224322 IUHFNEQASBYBOY-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](N)(C#Cc2ccc(Br)cc2)C[C@@H]1C1CCC1 2296233651 ZJCOEZBQAVNEKE-KNQAVFIVSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](N)C#Cc3ccc(Br)cc3)C[C@@H]21 2296289402 RHEFSWSDKQCVMN-ZULIPRJHSA-N 433.390 4.554 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2296291807 SEYOCHQGJUPMLM-PKOBYXMFSA-N 435.406 4.672 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2296307944 AQABDNKTBDBBHV-YSTOQKLRSA-N 433.390 4.567 30 10 IJEE O=C1C(=Cc2ccccc2Br)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 2296595897 SWKQGPCBUPUHGL-UHFFFAOYSA-N 449.304 4.812 30 10 IJEE O=C1C[C@@H](c2cccnc2)c2c(ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)O1 2297590570 YVTDSUHUGWLZKM-INIZCTEOSA-N 435.382 4.740 30 10 IJEE COc1cccc(N=C2C(=O)N3c4c(cc(F)cc42)C(CN2CCCCC2)=CC3(C)C)c1 2297602859 ZYAJACQGDOFDSB-UHFFFAOYSA-N 433.527 4.963 30 10 IJEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)OC(=Cc2ccco2)C4=O)cc1OC 2322260261 GPJWGAUHEZTRRZ-HNNXBMFYSA-N 433.460 4.826 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)N(CC)CC)c2)c(OCC)c1 2323288643 AYALBQZGIPPWNS-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)c1 2323485578 AYGNDAWBMPBWEG-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(N)=O)c(Cl)c2)cc1OCCC 2323744719 ALQHDNVFGUASAQ-UHFFFAOYSA-N 431.916 4.678 30 10 IJEE CCN(CC)CCOc1ccc2c(c1C)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2325703393 VIFPMUATCIRAKF-UHFFFAOYSA-N 434.536 4.832 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2325736165 BDQOTOGYHPCUMM-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COc1cc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc(Cl)c1OC 2326561602 FRTTYONBOQDWOO-UHFFFAOYSA-N 441.315 4.916 30 10 IJEE CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2327915430 IRJQHJYWBZIPIW-UHFFFAOYSA-N 436.324 4.882 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2328754369 PTYXORKGDOCDBC-UHFFFAOYSA-N 425.514 4.582 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2328814019 XHANSHSEEKPELN-UHFFFAOYSA-N 439.302 4.677 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C(C)=Cc1ccccc1Cl 2330100052 YPPUIYQYPISTHL-QHCPKHFHSA-N 440.946 4.811 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccccn1 2330618767 FPIDZJLSQGICPO-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc2c(c1)OCCO2 2330824488 YVQMVGMWJJPPHW-UHFFFAOYSA-N 440.544 4.952 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1O 2331311366 WKLPDCWRMZWMIG-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(SCCO)nnc2C(C)(C)C)cc1 2331414293 UIHWGYQGJYIJGM-UHFFFAOYSA-N 437.613 4.569 30 10 IJEE OCC#Cc1ccc(CN(CCC(F)(F)F)Cc2ccccc2)cc1Br 2349856441 VJLYGBVVJQQHMS-UHFFFAOYSA-N 426.276 4.748 30 10 IJEE COc1ccc(/C=C2/CC/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC 8690875 FIXSNVIGQYWEGE-VCFJNTAESA-N 440.492 4.568 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccc(Cl)cc2)N2CCc3ccccc3C2)n1 14160006 SUTONORRXJJMDK-UHFFFAOYSA-N 434.931 4.805 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 35272246 VNPZFVOVBHSQME-LJQANCHMSA-N 438.277 4.821 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2ccc(OC)cc2OC)C1=O 36258087 NFTSWEXTUICHNJ-XDHOZWIPSA-N 425.506 4.556 30 10 IJEE C=CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2 37603068 FWGMAOBVTIYVHE-VPUSJEBWSA-N 448.607 4.975 30 10 IJEE C=CCc1ccc(OCCCn2c([C@H](C)NC(=O)C(=C)C)nc3ccccc32)c(OC)c1 40191141 WCFFDKBFQRTSPI-IBGZPJMESA-N 433.552 4.996 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)[C@H]1CCCN(CCC#N)C1 62039427 PLAOSQHQFNQQGZ-SFHVURJKSA-N 439.581 4.773 30 10 IJEE Cc1ccc(C(=O)N[C@H](C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)C(C)C)cc1 104204339 JFJLXSCYPLELRT-LRJXLTTPSA-N 437.609 4.660 30 10 IJEE C=CCn1c(SCCNC(=O)OCC(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 110999786 BOYXETBISQIEKX-UHFFFAOYSA-N 442.507 4.809 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@H]1c1ccccn1 169996678 VDIHQMWBLOAIQW-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1 170020036 OXOBZWCQTZWNPE-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)c1 170187325 GBWMQCBLEBVFAR-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccncc1 170209116 KHMNSHHTOKWSPI-QHCPKHFHSA-N 441.531 4.861 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OCC)c(OC)c1 170216391 YCROYRNPLPMUJG-XMMPIXPASA-N 449.547 4.961 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)cc1C 170259304 IFHNDPDVOAHCGX-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)c1 170274327 NHEQSHCMCUOENS-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)o1 170307991 DJLPJOADEQIRNE-HSZRJFAPSA-N 446.503 4.857 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1ccccc1 170423804 WLFAADCKVNROFN-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(OCc2ccccc2)cc1 170438226 LIZJTOYMYAYJSS-DEOSSOPVSA-N 437.536 4.613 30 10 IJEE COc1cc(/C=C\C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)ccc1OCC#N 207300010 UESMORSTIQOUSN-SDQBBNPISA-N 433.895 4.893 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC1 461578350 LETKXCJOWCNRIW-INIZCTEOSA-N 435.018 4.874 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 503033080 OWEFNYACQPPLAK-DEOSSOPVSA-N 435.480 4.559 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508935625 OHHINYHLNMRUHZ-INIZCTEOSA-N 442.951 4.587 30 10 IJEE Cc1c(NC(=O)C[C@H](CC#N)c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 516494597 PMTQNHKVIRFRHI-SFHVURJKSA-N 427.430 4.680 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2/N=C\c2ccc(OC(C)C)c(Cl)c2)o1 526829411 HMVJHJNMWYOWMD-RMORIDSASA-N 448.932 4.663 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 536918844 ACKDAIPZHDEYIT-UHFFFAOYSA-N 431.458 4.633 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc1 547524695 UZZCJCJYWWMIPA-MRXNPFEDSA-N 428.361 4.697 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 549291306 DMMMKLKNEZMLJR-SIKLNZKXSA-N 425.646 4.544 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 549641812 XXGFADFPVSUCKG-IERDGZPVSA-N 440.569 4.566 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 549697405 CCTQJYPOGYZCKJ-UHFFFAOYSA-N 432.543 4.992 30 10 IJEE C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](NP(=O)(OCC)OCC)c1ccnc2ccccc12 575629753 JFCVDRVNJCMKJF-JRSMBCBASA-N 429.501 4.943 30 10 IJEE C=C(C)CN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 586229121 LJDQHXCEONVEBB-UHFFFAOYSA-N 444.597 4.712 30 10 IJEE C=CCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586239523 JQTLHOQXDADSFP-UHFFFAOYSA-N 428.337 4.942 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)nc2)cc1 586681305 CAUXRVKMCZCCFW-UHFFFAOYSA-N 433.556 4.776 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 608995428 PKVMDPVYGZZVET-NRFANRHFSA-N 438.915 4.590 30 10 IJEE CN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(C#N)cc1F 610893036 KYYVVBSINFLEOQ-UHFFFAOYSA-N 439.516 4.809 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)o1 615385721 BHPZCRLTGPIFFY-KKSFZXQISA-N 444.491 4.585 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 619742130 IQKAGPBXUBKKDH-IFMALSPDSA-N 433.512 4.643 30 10 IJEE CCN[C@H](CC#CC(C)(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693702522 PRYMZDDWUQLZBA-GJZUVCINSA-N 427.633 4.574 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 698888982 BSZVTAHNMOGSOL-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(OCc2cccnc2)c1 733679138 SSJLSXFAHRBAQO-QHCPKHFHSA-N 427.504 4.747 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)c1=S 765031437 BMGGPJMPSDHDNW-CRAIPNDOSA-N 430.574 4.887 30 10 IJEE Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2Cc1nnc(-c2ccc(C#N)cc2)o1 771454468 LXPDDYOSKCUWAC-UHFFFAOYSA-N 445.523 4.674 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cc2ccccc2nc1Cl 792044384 NNRYRZVZBYZZSC-UHFFFAOYSA-N 428.005 4.986 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C\Sc1cc(F)ccc1F 797943102 NEEFQPKLYKKEAI-SZZPACECSA-N 436.867 4.889 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C)cc1C 799213948 BASJVIIKFIWRJV-IBGZPJMESA-N 445.972 4.946 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800786403 KWICPNWUIJACFZ-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE Cc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1 1084198027 WKPTUMAUJXBXEG-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(C)o3)n2)cc1 1084393641 ZRUWCCLCJFAVQE-AWEZNQCLSA-N 426.546 4.787 30 10 IJEE C[C@H](NCC#CCN[C@H](C)c1nc(C(F)(F)F)cs1)c1nc(C(F)(F)F)cs1 1117097080 KEXQLOKMWPINJC-AOOOYVTPSA-N 442.454 4.642 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O 1125372830 PEDSUMKYZBEXFL-UHFFFAOYSA-N 432.282 4.507 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1coc(-c2ccc(Br)cc2F)n1 1125578624 SGYVFFQXUBGNKA-UHFFFAOYSA-N 431.236 4.658 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CCCC1(C)C 1128572657 BYDMYJNUGGANDB-OAQYLSRUSA-N 428.960 4.788 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccc(Cl)cc1F 1129736145 XSKBPSXITIPUOL-INIZCTEOSA-N 428.769 4.694 30 10 IJEE Cc1cc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc(C)c1OCC(=O)N1CCCCC1 1131578492 AFFJYWUHBBDRQA-UHFFFAOYSA-N 445.563 4.766 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(Br)ccc1C(C)(C)C 1132994188 GTGMDCUEIQPXQX-UHFFFAOYSA-N 430.346 4.907 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CCC1 1135752498 LVZHZWZFJIEWDH-UHFFFAOYSA-N 428.554 4.879 30 10 IJEE CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1 1136729428 AJEXFEKENBWSJR-UHFFFAOYSA-N 435.509 4.683 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 1152605044 CDKGPZFKTLNRAF-SFHVURJKSA-N 432.952 4.772 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 1158173441 PXOZAGQESCJPHX-HNNXBMFYSA-N 431.627 4.856 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1158669758 JTFIORYBHABCLT-AEGCXBDNSA-N 434.602 4.899 30 10 IJEE C=CCCCCNC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1200557300 ANTVAGVDNQTSBY-UHFFFAOYSA-N 430.346 4.857 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Br)cc2nc(C)oc12 1203684814 SQDTUKFYYGEFGM-UHFFFAOYSA-N 434.290 4.594 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(Br)ccc1OC(F)(F)F 1206679422 YQCFIABBTXXCKN-UHFFFAOYSA-N 443.219 4.681 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2cccc(C)c2C#N)c2ccccc2Cl)cc1 1209926678 CLABNVCAQDPTOZ-JOCHJYFZSA-N 426.925 4.597 30 10 IJEE C#C[C@H](CC)NC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1211000155 YVCRVSMDLAACTR-VQIMIIECSA-N 436.408 4.865 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C)c1)c1ccc(C(F)(F)F)cc1 1211147711 HGTXDVYWOCOOAO-IBGZPJMESA-N 441.471 4.786 30 10 IJEE C#Cc1cccc(NC(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1214232024 FLTSSOXENRNQGF-HXUWFJFHSA-N 426.442 4.938 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccs1)c1ccc(Br)cc1 1221856926 IPXYKTKCMRODJQ-ROUUACIJSA-N 426.339 4.669 30 10 IJEE COc1ccccc1-c1ccc([C@@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1222638171 GQNWRKHLSZOYRB-GOSISDBHSA-N 427.504 4.768 30 10 IJEE C=CCN(C(=O)c1cc(SC)oc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1264307917 SAFWXUZDKUZAIZ-UHFFFAOYSA-N 448.591 4.670 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 1264609406 QUQPPFXSHZHLLP-ROUUACIJSA-N 439.364 4.542 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)s1 1265488454 FNYUAJJCIXXOHS-CQSZACIVSA-N 433.002 4.902 30 10 IJEE C#CCCCCn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286336150 VZRZHHNIPCHGGI-NJYVYQBISA-N 443.636 4.725 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C(C)C)C1 1286499089 IYBSGDMINSXOJX-INIZCTEOSA-N 433.419 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CC)C1 1286554203 SQJXHXRXDQGMON-YYDVJCTNSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(OC(F)F)c1 1286556372 CIXWGTXSGBQDSL-RXVVDRJESA-N 434.531 4.696 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC2(CCCC2)C1 1286604194 PBMKVBYJAZDZRD-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](OC)C(C)C)CC1 1286640538 KHPUYOOALKRVES-LJQANCHMSA-N 449.393 4.544 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCSCC(F)(F)F)CC1 1286648666 PPIBUUJUWOMJTB-UHFFFAOYSA-N 426.508 4.617 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)N(C)C)CC1 1286664199 SBRYPYYHERLTIG-IBGZPJMESA-N 425.621 4.507 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1286701702 CNNCRYGUUIENOK-NRFANRHFSA-N 441.938 4.601 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1286722696 QAHGMKOOFASJFE-HXUWFJFHSA-N 438.576 4.598 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(Br)cc1)C1CC1 1286736357 DKEFLBSZXYMILR-IBGZPJMESA-N 431.378 4.680 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1csc(CC)n1 1286762567 JKBDRWCVIUNILP-OAQYLSRUSA-N 437.613 4.822 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1287234704 GNKMXTINVLYUQY-ISKFKSNPSA-N 434.632 4.810 30 10 IJEE Cc1nc(C[C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(C)(C)C)C2)no1 1290446461 CNHAGJRUKLWOIW-HXUWFJFHSA-N 447.587 4.794 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc2ccccc12)C(F)(F)F 1296246903 UAAUTQZXBOJGIM-RBUKOAKNSA-N 434.458 4.866 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(CC)s1 1300292476 JZAIIYRLOQUCFM-CQSZACIVSA-N 429.387 4.838 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1OC1CCCC1 1300313764 OOHBBVVCGQODRN-SFHVURJKSA-N 449.986 4.745 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](COC)C1 1300384371 OKVJGVXYVJNAPH-VQTJNVASSA-N 445.007 4.965 30 10 IJEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(Cc1ccco1)C(C)C 1300766432 CIAHNTJYLMQQHW-UHFFFAOYSA-N 433.581 4.725 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@H](C)C1 1300807650 BWTALLRQUCHXDW-LJFZDNNRSA-N 426.992 4.720 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1300876041 RFXMXQIVMSQODX-QPXUXIHVSA-N 443.680 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)C 1300919148 WVGMJDZEKYCJIT-XUZZJYLKSA-N 426.605 4.731 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1scnc1C 1300972059 IMTLWIAPHRINSO-UHFFFAOYSA-N 448.596 4.796 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 1301009111 GYPFWNXNBBRRCS-DHIUTWEWSA-N 431.584 4.617 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301190711 XUUJJVWVTOEQBF-MAUKXSAKSA-N 426.458 4.520 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC)[C@@H](C)C1 1301207961 KDCCBBXMDUQKEQ-KRWDZBQOSA-N 432.410 4.513 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCCCO1 1301208718 BIZHMQLEKRDRDK-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN(C)Cc1ccccc1 1301278174 GVPOCASGUQZWAF-UHFFFAOYSA-N 446.418 4.523 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1CCCNc1ccc(C(F)(F)F)cn1 1301282865 MQXTTWJSFPYJSP-UHFFFAOYSA-N 430.478 4.792 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)C(C)C 1301368003 WSSRGERIWLNLEG-XZOQPEGZSA-N 443.680 4.886 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1301602285 NWRYATAFURJHMM-YSIASYRMSA-N 442.629 4.896 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC=C(Br)C1 1301611806 ROZUTUBUKKWYGK-UHFFFAOYSA-N 433.419 4.585 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(F)(F)F)C1 1302979353 IEJHOZYFTPTUTC-MRXNPFEDSA-N 429.830 4.817 30 10 IJEE CC(C)(C)OC(=O)N1CCC(c2cc(C3CCN(Cc4cccc(C#N)c4)CC3)[nH]n2)CC1 1307833281 FTRDUXHGCVGVJQ-UHFFFAOYSA-N 449.599 4.775 30 10 IJEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1310603989 FOYRYJJVLMGACN-RBUKOAKNSA-N 434.540 4.899 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CC1 1313236669 OYOJTBJSUPWORB-NIJXNBFTSA-N 435.999 4.949 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2cc(C)nn2-c2cc(C(F)(F)F)ccc2Cl)C1 1320138642 RGNHTSWTUPWLCI-AWEZNQCLSA-N 428.842 4.662 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccccc2)C1 1321312165 SVGMJKIGGXIUNN-WMZHIEFXSA-N 436.531 4.581 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)C1 1342262602 HYKIQFZIXIJOAR-FQEVSTJZSA-N 431.330 4.837 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)NC(=O)CC1CCCCC1 1352318099 MNHVIFRZDZNLBH-OAHLLOKOSA-N 439.369 4.578 30 10 IJEE COc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1OC 1358351949 DPYMPNKJFWPGEH-UHFFFAOYSA-N 434.427 4.611 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)O[C@@H](C)C1 1358907740 YXGRQBQOQMTDLD-PMACEKPBSA-N 434.540 4.534 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359006999 QPGIISVLIAEDFU-OYRHEFFESA-N 446.643 4.653 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC1CC(F)(F)C1 1359078662 KGHCJLSVICVPLD-UHFFFAOYSA-N 431.712 4.989 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)c1ncc(C)s1 1359116192 BGNMMGRPWIVXFC-MRXNPFEDSA-N 429.565 4.967 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1359148772 BZLRZIXPHJGBJF-HXUWFJFHSA-N 436.991 4.502 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCCN2CC)CC1 1359160712 ASRDQRNSFROQFE-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCCN2CCCC2)CC1 1359175749 YHNXICDXNXZLAA-UHFFFAOYSA-N 438.576 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359191344 WKZPPPKXTOCSGY-DHIUTWEWSA-N 438.616 4.822 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(N2CCCCC2=O)CC1)c1ccccc1 1359193349 CLUQYVKXKUKJNR-JOCHJYFZSA-N 435.616 4.743 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359205923 OJEGKZJHDNDZAS-LJQANCHMSA-N 438.494 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CC[S@@](=O)C(C)(C)C 1359262359 QUSPPVBAIGSJJA-GDLZYMKVSA-N 432.615 4.648 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(N(C)C)CCCCC1 1360471101 ATLIPXLDARGDII-INIZCTEOSA-N 432.975 4.740 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCSC(C)(C)C2)nnc1-c1ccc(Cl)cc1 1439676401 NLDWKFFNIRYAFF-INIZCTEOSA-N 437.034 4.667 30 10 IJEE C=CC(C)(C)NC(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 1439997672 PVARVQHUPAXMNK-UHFFFAOYSA-N 436.581 4.636 30 10 IJEE C=CC[C@H](CO)CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1447028590 QDJMDLXKHJRRFV-HNNXBMFYSA-N 425.326 4.579 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(CCCC)cc2)C1)c1ccc(Cl)cc1F 1460792888 YTDIMKFMPLGMAB-VGOFRKELSA-N 426.919 4.665 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1cccc2c1OC(F)(F)O2 1461665656 OBROYGDALWQMES-UHFFFAOYSA-N 429.341 4.564 30 10 IJEE CCCc1c(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)nnn1-c1ccc(C(C)(C)C)cc1 1461916440 FJTOIOQQOVMGNK-UHFFFAOYSA-N 427.512 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1462702300 LVWCICKXEVOWPT-FZMZJTMJSA-N 439.215 4.538 30 10 IJEE COc1ccccc1-c1ccc(CN(C(C)C)S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 1463218146 BXLZUNLHVZMVFZ-UHFFFAOYSA-N 438.524 4.972 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC(C)(C)c1ccc(F)cc1Cl 1465147584 FDTPENVDZRGUKD-UHFFFAOYSA-N 427.907 4.937 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)cc21 1467381731 VHVRFYFLIFUYJV-MRXNPFEDSA-N 430.339 4.930 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](COc1c(C)cccc1C)c1ccccc1 1468849361 XFPXNXLJCCCNLV-DEOSSOPVSA-N 428.532 4.935 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)c1ccc(Cl)cc1 1475366443 XYGMDGZQTDDUIG-NRFANRHFSA-N 429.900 4.711 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1nc2c(s1)CCC[C@@H]2C(=O)OCC)c1ccc(F)c(F)c1 1476674573 YODKFPZWIDMORR-SUMWQHHRSA-N 435.496 4.843 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(OCc3ccccc3)c2)CC1 1476953738 GVSOXAVZZLXSGH-UHFFFAOYSA-N 426.520 4.881 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)CCCC1 1478966728 ZHPMMPQDHJJXHJ-LJQANCHMSA-N 432.008 4.651 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1)C(C)C 1502188678 ASAXTNMUBNIIAX-UHFFFAOYSA-N 434.613 4.778 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 1505314790 BCMHLQZRNCCMTO-UYAOXDASSA-N 447.505 4.537 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H](C)c1nccs1 1507578259 XBMRJKXZSOXYRZ-HNNXBMFYSA-N 429.977 4.717 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCSCC=C 1507701029 VSRMTLZDLBKDBK-UHFFFAOYSA-N 441.963 4.692 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCCCCCC1 1507747679 INGGZUMXPXSXRZ-UHFFFAOYSA-N 439.448 4.906 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](SC)C(C)(C)C 1507763389 UNGYXBABQHSPJN-GBXCKJPGSA-N 442.629 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(CCC)C1 1507763762 FOIPXDPGHKRCHQ-AZSVPQILSA-N 449.643 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)C[C@@H](C)CC 1507796214 OBIZYJBQXOKTJH-JLMWRMLUSA-N 426.561 4.527 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccco1 1507797217 RRKBIRIYVXQRBD-IIBYNOLFSA-N 442.947 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@H](O)C1 1507813955 GLMGCFJUKIQYIN-GJZGRUSLSA-N 439.423 4.723 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2cccs2)CC1 1507827967 JZDAQFHRHOCLAR-UHFFFAOYSA-N 444.402 4.672 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1507833863 LIIONITVHHEOOE-NRFANRHFSA-N 438.597 4.989 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCSCC(C)C)CC1 1507903830 VLQZGNBGBDQVKM-QFIPXVFZSA-N 442.629 4.972 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507919480 NXOVXQUDJYYGJQ-RTWAWAEBSA-N 434.632 4.802 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(C(C)(C)C)CC1 1507931091 SFDJNGXTDNKUJD-UHFFFAOYSA-N 446.599 4.731 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCC[C@@H]1C 1508000783 DKJVBYAIPNZDJC-MHECFPHRSA-N 437.975 4.737 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccsc1 1508004550 HSXAEVKYCDDIHH-QHCPKHFHSA-N 437.544 4.574 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@H](C)C1 1508008213 LQIRLLQHBQUIDX-VAMGGRTRSA-N 430.618 4.631 30 10 IJEE CCOCc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1516438084 BNTKKIQRLWHUOD-STZQEDGTSA-N 439.604 4.520 30 10 IJEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1)C(C)C 1517824542 BLXWQHRUJYBFHQ-LJQANCHMSA-N 435.494 4.657 30 10 IJEE C=CCC[C@@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)c1ccc(C(F)(F)F)cc1 1520112325 DURWKHAKGGUWOA-CRAIPNDOSA-N 432.442 4.643 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 1520812274 GMIZNZRBEIIHEV-IBGZPJMESA-N 432.442 4.916 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)CCCCC1 1521565943 BPQGKCLZQXKGPY-LJQANCHMSA-N 438.593 4.835 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 1535320409 CEWZQELJWMAXMW-HSZRJFAPSA-N 429.923 4.625 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 1535721114 AYKDAXYTTXAUFR-XJQMLFBMSA-N 441.560 4.703 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1ccc(F)c(F)c1 1537692060 IHRWEPYVAIVZMZ-QGZVFWFLSA-N 434.291 4.722 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCc1ccccc1 1538985126 WMNMQRMNKBVIEE-HNNXBMFYSA-N 429.387 4.860 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)c1ccc(F)c(F)c1 1538994794 BGCYWONZDSEXAQ-JOCHJYFZSA-N 439.462 4.683 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H]1CSC 1539103108 NXTVDZSWAXLFPK-IBGZPJMESA-N 436.581 4.862 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(C)C)C1 1539118702 DLTGZSKUVFVTIX-SFTDATJTSA-N 443.636 4.678 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1oc(CCC)nc1C 1539350989 IBPSMKGUUVPGEC-UHFFFAOYSA-N 448.390 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1 1539624702 UYWNBLGBARUJCF-NQIIRXRSSA-N 444.023 4.500 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(C)C)C1 1539729728 KNNBSTYNDYVANR-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1539759954 OZMSZWHOFPBYCI-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CCC(OC)CC2)CC1 1539882173 GNNGDFMIYNKSNR-UHFFFAOYSA-N 440.588 4.570 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC)(CC)C1)c1ccccc1 1539931834 QOTIFZJKEHQIME-JOCHJYFZSA-N 435.616 4.891 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](CC)C1 1539947348 KWUHYWSSWCJQMY-FQEVSTJZSA-N 427.618 4.835 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1540101225 ACZPDLVDFDAHSK-OAHLLOKOSA-N 439.913 4.638 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC1(N(C)C)CCCCC1 1540134488 SUIUAHWOPLRLMJ-UHFFFAOYSA-N 448.590 4.936 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)nc1 1540137311 QVPFOMQVOXXQRG-UHFFFAOYSA-N 448.933 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCOc1ccccc1C 1540146357 DPRLIMMKBVTSBK-FQEVSTJZSA-N 438.597 4.814 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1540158830 RNLLQEQCPABHMV-QFIPXVFZSA-N 444.608 4.894 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)s1 1540763984 DQXWISXFPXVUFQ-INIZCTEOSA-N 426.966 4.578 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 1540920288 UEZPQCIPAQZLRH-UHFFFAOYSA-N 444.498 4.694 30 10 IJEE C=C(CC)C(=O)Nc1ccc(F)c(NC(=O)c2ccccc2I)c1 1543682629 UBBWRJNLVHNDKO-UHFFFAOYSA-N 438.240 4.587 30 10 IJEE C=CCC[C@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)C(=O)OCC 1556642718 VFAOCLAIUCFNKT-IBGZPJMESA-N 439.899 4.685 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2cc(C(=O)OC)sc12 1556791330 KTQNHTJGIVLDFS-CQSZACIVSA-N 438.933 4.662 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccccc1 1558718582 LFKPTQKIRBUSPB-BGOLNKOXSA-N 440.565 4.761 30 10 IJEE CC1(c2ccc(Br)cc2)CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1559781443 GHHZDXSCURAAGA-UHFFFAOYSA-N 446.776 4.966 30 10 IJEE C=CCN(Cc1nc(O)c2cc(Br)cc(Br)c2n1)C(C)(C)C 1560006057 SRLANQZEPDLZMQ-UHFFFAOYSA-N 429.156 4.647 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1Br 1561178825 GTODTRMMHXBQNG-UHFFFAOYSA-N 441.778 4.821 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C)c1 1562184077 KJVQHOUDOGNPPW-HXUWFJFHSA-N 432.524 4.666 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 1565302371 LKZSLULHMWOHJN-UHFFFAOYSA-N 430.593 4.769 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)[C@H]1CCCO1 1567814358 HIXTWFINVUUGHH-RTBURBONSA-N 430.367 4.652 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 1583093253 XEDBMGSXVRZXHA-APWZRJJASA-N 438.996 4.904 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1 1584300262 ADMKDZUDMLAIPT-PKTZIBPZSA-N 427.504 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1CCC 1587562829 UGIPIJPHCUZKQE-ACIOBRDBSA-N 437.632 4.757 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC(F)(F)C1 1588593558 BKOJSYPQKQRPSX-IRXDYDNUSA-N 448.583 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H]1CCOC1 1589250689 AWVGPYBHDPZEHI-HTAPYJJXSA-N 431.005 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1C[C@@H](C)O[C@H](C)C1 1589608426 HTLXKIZWKMFSCI-HUUCEWRRSA-N 436.398 4.642 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1593611560 XHERDHBGOJXVJT-MRXNPFEDSA-N 431.968 4.526 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1594193984 UMTMOMMRTWXHAR-CMKODMSKSA-N 428.552 4.632 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1594720326 JGHVWVTXSIZNIY-UHFFFAOYSA-N 446.555 4.740 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccco1 1594788575 PMTZPNXYYDYQQJ-QGZVFWFLSA-N 446.349 4.563 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C1CCCCC1)N(C)C 1594857762 POUPZOPZGQKTCW-GHTZIAJQSA-N 429.584 4.690 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1595894913 BWKNVEIXKRHKQJ-UHFFFAOYSA-N 445.702 4.550 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c(C#N)cn1CC 1597855699 GTHINCWBTSMCHV-UHFFFAOYSA-N 438.871 4.649 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccco1 1611747912 DMRHIYZLQLWVQA-AOMKIAJQSA-N 425.920 4.843 30 10 IJEE C#CCSc1nc2sc3c(c2c(=O)n1-c1cc(Cl)ccc1OC)CC[C@H](C)C3 1613128737 AMBKWRYCVWXGEU-LBPRGKRZSA-N 430.982 4.959 30 10 IJEE CCC(CC)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1613463561 BOZNCAINPXJNBP-OTNCWRBYSA-N 440.611 4.628 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(C)C)C1)OC 1613503261 CHTXTMKGUYJBAV-PKTZIBPZSA-N 439.604 4.519 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2nc3ccccc3s2)C2CC2)cc1C(F)(F)F 1622584881 BVMBJWGQKQZIEC-UHFFFAOYSA-N 437.468 4.540 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1c[nH]c2cc(Br)ccc12 1622609355 KOAAFIUWRWDOCN-FQEVSTJZSA-N 443.366 4.632 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1624414370 BFYBGNNXZGSVHJ-MHZLTWQESA-N 442.515 4.850 30 10 IJEE CCOC(=O)Cc1cnc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 1625664269 IEVQSBJHQLSXGJ-HNNXBMFYSA-N 434.521 4.670 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1629794618 JIOAZOJLJGSCTB-HXUWFJFHSA-N 436.512 4.934 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1 1631090865 QHZXRNQHXXZYFW-IBGZPJMESA-N 442.562 4.692 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Oc2ccc(F)cc2)n1 1632127283 NGBXZPRZOUGVFN-GOSISDBHSA-N 449.910 4.665 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1633697206 KBXPRGUZZGGKBS-UZLBHIALSA-N 432.351 4.585 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)CCCc3ccccc3)ccc2c1=O 1633780121 RVDUIYTWFYRCJF-UHFFFAOYSA-N 435.593 4.650 30 10 IJEE C#CCC[C@H](O)CNC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1 1635011372 FJKUPXQZFAHBAR-ZRZWOPFXSA-N 431.557 4.758 30 10 IJEE C#Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)cc1 1637033983 BINXYRNAFVINCE-GOSISDBHSA-N 429.314 4.635 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2CCCC[C@H]2C)C(C)C)nc2sc3c(c2c1=O)CCC3 1640683597 HFFXNQXEJQSMIR-BEFAXECRSA-N 445.654 4.650 30 10 IJEE C=CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1641280404 NXTPFXQBQWZCEZ-ZDUSSCGKSA-N 427.353 4.797 30 10 IJEE C#C[C@H](Nc1ncnc(CC(C)C)c1I)c1ccc(Cl)cc1F 1642677811 VGHBATVFMDEEOW-AWEZNQCLSA-N 443.691 4.859 30 10 IJEE C=CCn1c(SCCCCCC(=O)OCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1643337812 FFDJXYVQWLJDIP-HNNXBMFYSA-N 434.627 4.984 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](C(C)C)CC2 1646563325 HSBPKUBTZIUXHH-DZGCQCFKSA-N 427.998 4.878 30 10 IJEE COCCC1(Cn2c(Cn3ccc4ccccc43)nnc2N(C)C[C@H](C)C#N)CCCCC1 1649682842 FONMHWUFDZQLRI-OAQYLSRUSA-N 448.615 4.864 30 10 IJEE CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)c1cc(Br)c(C#N)cc1F 1651328562 BXJRJUQYIWDYKR-ZDUSSCGKSA-N 448.119 4.643 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)C1 1652065080 HZEOIOSFTYUFNU-AWEZNQCLSA-N 433.961 4.749 30 10 IJEE C=CCn1c(SCCc2ccc3c(c2)OC(F)(F)O3)nnc1-c1ccccc1OC 1652409819 XXLJWNRLHCQTGJ-UHFFFAOYSA-N 431.464 4.796 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@H](c3ccccc3)[C@@H]2C)cc1 1652655396 DABKCPPKRARFCJ-RDPSFJRHSA-N 442.563 4.791 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1653457089 MCYWCMFURREITP-QFIPXVFZSA-N 444.556 4.782 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)c1 1653529487 RGINBGOWFZZXRT-XMMPIXPASA-N 449.913 4.830 30 10 IJEE C=CC[C@@H](C)Sc1nc(C[C@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1656224723 OXMWJTCTLJKQSR-LTIDMASMSA-N 428.602 4.584 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 1657158609 VFTQZWALKZHIBZ-LBPRGKRZSA-N 426.717 4.652 30 10 IJEE COC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cccc(OC)c1 1658365203 BDOUVZXIQWBCFE-RUZDIDTESA-N 445.519 4.849 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)c(OC)c1 1660990047 SXTCKFFCNNWRTR-UHFFFAOYSA-N 447.336 4.523 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)[C@@H]1CCCO1 1666426416 FBVKPEPXIWXTEN-QUCCMNQESA-N 445.441 4.568 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1ccnc2ccccc12 1670844914 GDKGTFHMVLMTPH-UHFFFAOYSA-N 426.314 4.926 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C(=O)OC)c1OC(C)C)c1ccc(Br)cc1 1671169233 FXVWYEGVZGESSX-KRWDZBQOSA-N 445.313 4.519 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)ccn1 1672163911 APLHUMMWHDJWKO-LJQANCHMSA-N 425.261 4.766 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@H](C)[C@@H]3CCNC(=O)OC(C)(C)C)cc21 1675098131 COIXLINDKJNXON-PXNSSMCTSA-N 441.576 4.770 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CCCC1(C)C 1675616136 CKERBHCIABBJPL-PKOBYXMFSA-N 443.592 4.800 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCC1 1681084859 JBRYXSZSFBMWEA-RTWAWAEBSA-N 449.636 4.617 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 1681165506 FNCPBNCBFBUIMG-UHFFFAOYSA-N 434.540 4.588 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1)c1ccc(F)c(F)c1 1686173979 TYLHABUMONHIHV-OXTHUFEASA-N 430.499 4.753 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1686920301 VSIDDAHBILHEFT-NHCUHLMSSA-N 425.573 4.620 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CC(C)(C)C1 1689841387 FRNGFWCVIMMVIS-AWEZNQCLSA-N 431.378 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1nccs1 1689863582 XBPHEPOFMTWQGG-QZTJIDSGSA-N 437.613 4.873 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1689882509 CFZLUVPQLAIUJH-UHFFFAOYSA-N 448.567 4.948 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1CCCNc1ccc(C(F)(F)F)cn1 1689956685 BFWKCNOOHZLKST-UHFFFAOYSA-N 448.880 4.584 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)C#C 1690155920 POZLJSGBHBENRM-ZWKOTPCHSA-N 431.005 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(Cl)nc1 1690193837 TVSITPNLSKOMIK-WAIKUNEKSA-N 439.922 4.646 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1690230426 CNLNJFCVADKNPQ-HXUWFJFHSA-N 438.373 4.822 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690274751 CGCGTCNRBJXGMC-GOTSBHOMSA-N 437.632 4.923 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CCSC 1690472656 SMXNIGJHVOBCOO-AWEZNQCLSA-N 426.428 4.590 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C/C=C\c1ccccc1 1690525302 CSXSCIGHWWTTAO-RAXLEYEMSA-N 437.588 4.728 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1CC(C)(C)N1CCC[C@@H](C)C1 1690533615 PKFSQJYVFQUWLS-HXUWFJFHSA-N 425.621 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccco1 1690559169 AKDBUBHOHXFVJP-RUZDIDTESA-N 431.540 4.501 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(F)(F)C1 1690585613 PMYVVYHZLIDHOM-AWEZNQCLSA-N 440.336 4.660 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1690681077 FMNCNTLUTFJDHI-XMMPIXPASA-N 433.581 4.674 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1694243410 DFPPBPSZKWKRBQ-XWSHUIEDSA-N 439.604 4.805 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C[C@H](C)O1 1694929040 BDLWSCZRUFUXTG-YJBOKZPZSA-N 441.988 4.778 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccnc(SC)c1 1705483990 HESAXQFRRPJMCF-ZDUSSCGKSA-N 432.380 4.875 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(COC)CCC1 1705591763 WZOCJELPJXVWKO-UHFFFAOYSA-N 436.625 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(OC)CCCCC1 1705668458 MLJQAAVJNFFDAV-YADARESESA-N 440.563 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CCCCNC(=O)OC(C)(C)C 1705673911 RLBZHSANGXEFMF-RUZDIDTESA-N 437.588 4.551 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccccc1OCC(F)(F)F 1705715155 ULCMHMKILMWYAG-UHFFFAOYSA-N 433.478 4.675 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2ccccn2)CC1 1705762875 KPZQKYUFXJKBIE-HXUWFJFHSA-N 433.556 4.611 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)C)C1 1705826226 RWVRGTWURSIYSA-QFIPXVFZSA-N 426.605 4.697 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(CC)CCCC1 1705858573 YOFGSFZIOATCHJ-UHFFFAOYSA-N 446.599 4.549 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1705875471 UEQJCWXTYYRGFG-JOCHJYFZSA-N 434.506 4.639 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC(F)F)cc1 1705910238 WFDSPGBPZUFSCN-UHFFFAOYSA-N 433.890 4.698 30 10 IJEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1706487649 BKYVZUQTQDPJNG-UHFFFAOYSA-N 429.977 4.779 30 10 IJEE C[C@@H](NC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1706847973 DVCMKBCJUPVZSV-KBMIEXCESA-N 431.588 4.533 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)c2c(C)noc2C)c2ccccc2n1 1707251115 CKOKSYRTCUAIQY-NVXWUHKLSA-N 443.555 4.949 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)c1ccccn1 1722281882 ZRZSVRIXGLZXPY-CTNGQTDRSA-N 431.584 4.866 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722386713 ILAYTKAQMZJGAI-NUNAXRQHSA-N 448.611 4.565 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 1722451446 CBCTXYJFZCVXPT-HUUCEWRRSA-N 447.029 4.793 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2nccs2)C1)c1ccccc1 1722596993 PPYUHIIZNXYMFZ-NHCUHLMSSA-N 437.613 4.871 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 1722604658 HUHODPRFDQHMEA-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1722615949 DWLRIJNFZSWYAT-UHFFFAOYSA-N 429.902 4.724 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](CC(C)C)N(C)C 1722633490 UNPFMVWWPHZYNL-HXUWFJFHSA-N 438.645 4.976 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H](c1ccco1)N(C)C 1722658201 AXZGGBLIYWVCKS-QFIPXVFZSA-N 448.546 4.511 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722683895 CCRQVMXVQBNZJS-UHFFFAOYSA-N 445.615 4.669 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc2ccccc2[nH]1 1722871904 GQRSYDIAJUMGAK-NQSCKRDGSA-N 434.588 4.517 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@H]2C)c1 1730029196 CQHUVXQSSCDVNB-BZUAXINKSA-N 446.393 4.748 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1CCc2ccccc21 1740536649 KJBLCROATLLPRF-WBVHZDCISA-N 438.373 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(C)cc(OC)c1 1740538759 JWYNRZONRPNDMI-SJLPKXTDSA-N 434.609 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1cccnc1OCCCC 1740545269 LPSYMCUFCNTXRZ-IBGZPJMESA-N 440.551 4.573 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CCCC2)C1 1740709215 KNYUMRJCIIPALA-SFHVURJKSA-N 428.577 4.694 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1740711997 ZJNRXAMZLWUZJD-HOTGVXAUSA-N 433.419 4.699 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CCC2)C1 1740713081 DQZYXNRQKIUEQC-UHFFFAOYSA-N 449.393 4.594 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCCOC(C)C 1740729362 FPQDQBIJDMKJSS-JOCHJYFZSA-N 445.405 4.905 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC(C)(C)C 1740757263 UFZNYJMIIUFCCL-DENIHFKCSA-N 442.604 4.816 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(OC(C)C)c1 1740758426 XMASANLAAZOOBT-QPPBQGQZSA-N 447.583 4.745 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@H](C)[C@@H]1C 1740796540 DMUFOAYDNDMZQF-ZWKOTPCHSA-N 448.658 4.502 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1740813910 JJBXMSLKDCBVON-UHFFFAOYSA-N 439.972 4.602 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1740845846 DIOCPUMIWJMVST-FQEVSTJZSA-N 446.599 4.598 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccs1)c1ccccc1 1740853596 GMHXCTDAGMMZPW-FQEVSTJZSA-N 435.597 4.572 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS[C@H](C(C)C)C1)c1ccccc1 1740854066 KUHNZWRKBRLAFN-UNMCSNQZSA-N 436.629 4.616 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1740873594 CKRQVFHDIUARDH-SJORKVTESA-N 438.498 4.543 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1cc(Br)cs1 1740913491 CZAGSVOMORWMGH-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740916260 IHKAEBQVWYFTQH-FNZWTVRRSA-N 432.616 4.730 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CCC 1740996615 FXBKFMROMUZBJZ-CQSZACIVSA-N 426.428 4.590 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1740997306 YAWNVKANBDLAMD-LJQANCHMSA-N 425.602 4.694 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1741002570 OFMDZTITVSZXIS-SFHVURJKSA-N 449.615 4.557 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1748939322 YOFFNAVYXOLMBV-JOCHJYFZSA-N 439.673 4.706 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 1749335754 ULAMOZFVXKNTOX-UHFFFAOYSA-N 433.556 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749357079 IPMKXRVGFVNTOD-SFHVURJKSA-N 442.970 4.516 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1749396661 CYNPXYXDLWSPHL-OALUTQOASA-N 444.649 4.609 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1749467581 UASRYBMGBZEREB-PKOBYXMFSA-N 433.394 4.781 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC1(CC)CCOCC1 1749552840 BRUAKVDELPEQCY-FQEVSTJZSA-N 430.618 4.981 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCC[C@H]2C)cc1C 1751539576 BSEWXVCNEWTKSH-NQIIRXRSSA-N 434.588 4.714 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@](C)(C#N)C1 1760133482 FVNWUDWVZWREHP-OAQYLSRUSA-N 444.352 4.780 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(CCOC)CC1 1760215085 OATKEOURTDTQPZ-UHFFFAOYSA-N 431.367 4.532 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(CC)C1CCCC1 1760308603 LPZMLGUBNOKHJF-UHFFFAOYSA-N 425.321 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1760410094 SQGQTWHJDLPDAV-HXUWFJFHSA-N 448.615 4.610 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1760422299 FFJZXEZVPDYQOK-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760452686 HKCVNHMGVYGDGV-NRFANRHFSA-N 444.645 4.723 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCC1(F)F)C1CC1 1760476336 OEJNIGNOBNIMDN-SFHVURJKSA-N 427.499 4.709 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CCC)C1 1760484881 NDMLZUNTUIBMGM-FQEVSTJZSA-N 427.612 4.930 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1760510506 ASTUIZFGYWPTEC-ZCNNSNEGSA-N 429.609 4.738 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1CC1(C)C 1761872167 GPELYQYJZNEZBC-AEFFLSMTSA-N 426.996 4.689 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nccs1 1765070655 BYOCWEKWWCVGRR-YQVWRLOYSA-N 436.585 4.614 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)(C)C 1771397862 FNPWQNGGQFQOPB-JTDSTZFVSA-N 429.659 4.925 30 10 IJEE Cc1ccc(C(=O)C[C@H]2SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1 1772760179 XDLQOVBCJNRQRV-JOCHJYFZSA-N 432.501 4.815 30 10 IJEE CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCN3C(=O)c2cccc(C#N)c2)cc1 1858472141 BGXIRCXIZFJGMB-UHFFFAOYSA-N 439.515 4.731 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)Cc3c(F)cccc3F)CC2)c1C#N 1860632986 PGNYHDKJTPUHKN-UHFFFAOYSA-N 445.535 4.615 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(OCCCCCC)cc1 1861526795 WWIYQEKPUJKBHH-VWNXMTODSA-N 446.632 4.698 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862384345 RYKYDCRINAYMBM-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)cc2)cc1 1862392104 PQIJGJNPWJZFDD-VFNWGFHPSA-N 427.928 4.642 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862445639 AIBNDPUXPJLXAS-LJQANCHMSA-N 434.319 4.998 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862453907 KTNIKOYGLGXDQQ-OAQYLSRUSA-N 441.911 4.877 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(O)c2)ccc1F 1862507103 DVPHGQVDXULUHX-NRFANRHFSA-N 437.492 4.722 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862539859 ZTYMEJYKDUZXQB-LJQANCHMSA-N 434.319 4.781 30 10 IJEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c(O)c1 1862557743 OVCCAJBETOUTAV-XMSQKQJNSA-N 438.524 4.617 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862598289 SJWQHRBVSXUCBY-DEOSSOPVSA-N 443.499 4.878 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862684260 SMLBSZXLQSUNNH-IVZQSRNASA-N 441.499 4.998 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862759769 YAGSSTSFAGSRTH-KPZWWZAWSA-N 448.397 4.990 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862956256 UVGIQNCBQXCIDN-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863095303 QDRKSBKVEXQTLE-UHFFFAOYSA-N 439.446 4.605 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCCC)c2)=C(c2cccc3ccccc23)C1=O 1863224619 VMRDZKOHSLIFQI-UHFFFAOYSA-N 440.499 4.785 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(OCC(C)C)cc2)c(C(=O)OCC)c1C 1865741285 WFAQYZHXLMWMDE-UHFFFAOYSA-N 445.537 4.863 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccccc1C#N 1866705091 ZQGZIGYAQJLCOC-ILBGXUMGSA-N 440.547 4.593 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866751666 AQNHXUXERHAKAH-FGZHOGPDSA-N 441.572 4.704 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870162198 OKEUZXVEORZRGT-GJZGRUSLSA-N 431.805 4.553 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN(CC)CCO 1870620404 CGFQYSJETXPQOZ-UHFFFAOYSA-N 428.617 4.910 30 10 IJEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(Br)cc2)cc1=O 1870810455 DDHPBJBFGCMUPN-UHFFFAOYSA-N 449.389 4.995 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871007467 DTRBBSVXPOHSQP-UHFFFAOYSA-N 449.517 4.613 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871015690 UQVMHUVVGRZJAD-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4[N+](=O)[O-])c3C)C2=O)c1 1871369240 BEBGNTZLYLPWOF-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccco1)C2=O 1871373379 CPENWXGQSGLQSR-ZDLGFXPLSA-N 425.780 4.985 30 10 IJEE Cc1c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871382439 VBODQHVCHDVFRV-VJNMYQOVSA-N 428.400 4.533 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)CCOc3ccccc3)c2C)C1=O 1871384238 NBKLLPUPQHCVHP-KQWNVCNZSA-N 430.456 4.994 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCOCC2)n1 1871516363 UJWBDTUADIRFDA-UHFFFAOYSA-N 430.572 4.565 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(Br)c(C)c2)[nH]1 1871583446 VYNFAPYKNJBZRM-UHFFFAOYSA-N 445.409 4.889 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872533789 RWFZSUAIPOCUKA-QHCPKHFHSA-N 428.598 4.904 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OC 1872760998 DCIKXZULPFJJJA-ZDUSSCGKSA-N 443.868 4.879 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872769073 IWBZIGIXWNTOGV-HXUWFJFHSA-N 443.528 4.680 30 10 IJEE CCCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)c(F)cc2F)C1=O 1873244027 VXFVZZLKTGCXJT-UHFFFAOYSA-N 427.426 4.748 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1cc(C)ccc1O 1874228766 BPQQYJBQSTZPIQ-BUVRLJJBSA-N 438.553 4.820 30 10 IJEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1cccnc1 1874355534 OUVRHRXTVWMWTM-VULFUBBASA-N 433.512 4.704 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(F)c1 1874408539 BRPAWYJZGCAUPG-ZMOGYAJESA-N 432.565 4.714 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1cc(Br)ccc1F 1874413157 FRCIWRXCHVIZND-RGVLZGJSSA-N 437.363 4.992 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Cl)c2)c(OC)c1 1874632860 YHVAQKZIHHVHAB-WEVVVXLNSA-N 432.900 4.831 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)Cc1ccc(C)cc1 1874706725 WGUULBDWWXGRBY-JXMROGBWSA-N 444.483 4.819 30 10 IJEE COc1cccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3OC)cc2OC)c1 1875118050 NTICJMLAWLUZHR-OUKQBFOZSA-N 448.471 4.836 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875159842 NQCARGWKVWIXJL-BJMVGYQFSA-N 425.368 4.841 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)[C@@H]1CCCO1 1875159944 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448.607 4.860 30 10 IJEE N#Cc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(F)c1Br 2148945236 FBHTXLHIAKWEAO-HKUYNNGSSA-N 428.349 4.808 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174566706 YGDZZJOJLRQVAS-BWTSREIZSA-N 434.378 4.683 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C)C(=O)Nc1cc(Br)ccc1C#N 2181043357 AUNOUSBOTBORJM-UZLBHIALSA-N 436.350 4.733 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2nc(CCC)[nH]c2Br)C1 2197752255 JPDKSSAKOZDTOD-INIZCTEOSA-N 441.414 4.779 30 10 IJEE Cc1ccccc1[C@H](C#N)C(=O)c1ccc(Br)cc1I 2207271312 IGMREVRFTYUNQU-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C1 2211538793 CXBFAECPROQFTI-QFIPXVFZSA-N 433.574 4.778 30 10 IJEE Cc1ccc(C#CC(=O)c2ccc(I)c(Br)c2)cc1 2231221398 ILWKRRDDDBAVHQ-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2232308475 ZRKCTGBMLRJVMC-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CC1CC1 2233326332 YOQLIEWTTKLUAV-QAPCUYQASA-N 441.414 4.566 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@H](O)C#Cc2ccccc2Br)CC1 2235739271 GWITWYDIFWFWOC-NCYVPVAZSA-N 440.353 4.585 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2235747782 SOGYUJNORUEMMY-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE N#Cc1c(F)cccc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243915673 IOLHQEGBSIYTQO-UHFFFAOYSA-N 443.478 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@@H](N)CC#CC2CCCC2)C1 2251485251 QFBHISNACVREKW-JYFHCDHNSA-N 426.601 4.741 30 10 IJEE COc1cc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2267113139 PQNRFFPVUPAVKY-GASCZTMLSA-N 446.353 4.853 30 10 IJEE C=CCCC1(C(=O)NCc2cccc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2281015055 RJARCYVHUVIOMM-UHFFFAOYSA-N 437.378 4.577 30 10 IJEE Cc1cc(C(=O)N(CCc2ccccc2)Cc2ccccc2)oc1B1OC(C)(C)C(C)(C)O1 2281980647 KHAAGMNLDXIWRE-UHFFFAOYSA-N 445.368 4.772 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296272375 KHLQOBYNCJFQRU-DJPFJPOOSA-N 439.369 4.551 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2296305434 UBCDNXTUQVLGIM-AZUAARDMSA-N 433.390 4.592 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1OC 2296771479 DUPQARZSTSKFSM-QHCPKHFHSA-N 429.472 4.639 30 10 IJEE O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccccc1 2297746828 HIPLPTPOMQSXJU-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C12CCC2 2305320769 XOVVZKDQMJNKTP-CPJSRVTESA-N 428.573 4.603 30 10 IJEE CCCC[C@@H](CC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319667923 BFSWSDKYMVXVQI-SBUREZEXSA-N 438.418 4.545 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2c(F)cccc2Cl)c1C 2321086139 HODCPAMIUPQGAM-UHFFFAOYSA-N 431.924 4.609 30 10 IJEE COc1cc(C=Nn2c(S)nnc2C2CCC2)ccc1OCc1cccc(Cl)c1 2321901774 XEINCCGDMYOMEH-UHFFFAOYSA-N 428.945 4.958 30 10 IJEE 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USUKRKZQPLLIPZ-UHFFFAOYSA-N 432.549 4.925 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(C(=O)OC)c2)cc1 2326750057 IXVOIXXZYPEUFI-UHFFFAOYSA-N 438.553 4.727 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccnc1 2328666751 GTQOAVROLKSHGY-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE CCSc1nnc(CCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2330186071 DUIIQQRLYDCEPH-UHFFFAOYSA-N 433.350 4.959 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1N=Cc1cccs1)Nc1ccccc1 2330454491 OISONFORDGFZFI-UHFFFAOYSA-N 433.562 4.543 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(SCCO)nnc2C2CCCC2)cc1OC 2331100663 MXMASUQKSNQGMD-UHFFFAOYSA-N 446.617 4.870 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1 2331187206 HUQJFJSAQFPETP-HXUWFJFHSA-N 430.884 4.728 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(C(F)(F)F)cc1 2331541425 GGXRRPPCKZNSBL-UHFFFAOYSA-N 440.491 4.738 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574890 OQYCTPPLGSQZAO-HKUYNNGSSA-N 444.381 4.608 30 10 IJEE N#Cc1cc(Br)ccc1Nc1cc(F)c(F)cc1I 2351718656 QYKHQBIDNPIQLY-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC[C@@H](NC[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836041 JUPWHRAKEBXDCL-LEAFIULHSA-N 448.460 4.939 30 10 IJEE Cc1cc(CNc2cc(Cl)ncc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676315 VCELRDSDIZIMQR-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE Cc1cc(Cl)c(Br)cc1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2371993573 RPJBOUWZUYWPJZ-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CC1(COCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)CC(F)(F)C1 2377331655 XAZFNKSAVFLKJF-UHFFFAOYSA-N 431.126 4.700 30 10 IJEE Cc1cc(C#N)c(OCc2ccc(I)c(Br)c2)nc1C 2377634156 DZFGBKMJQCXWRH-UHFFFAOYSA-N 443.082 4.516 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1nc2sc(C)c(CC)c2c(=O)n1-c1ccc(C)c(C)c1 17000523 KRHWKTITINWYBT-INIZCTEOSA-N 441.622 4.718 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCC)cc1OC 39910535 CBNGOCLYNZSCIH-QFIPXVFZSA-N 433.504 4.938 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccc(OCc2cccnc2)cc1 97359732 VPOJGUJHQSSVGH-UHFFFAOYSA-N 439.437 4.530 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(F)cc2)cc1 170064396 JHQKVQGVPXRLNK-NRFANRHFSA-N 439.389 4.895 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 170066368 WCFNFQNJJZENIH-XUZZJYLKSA-N 449.547 4.884 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170077525 UMPFFACSYNMRJN-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccco2)c1 170089852 NJWUHQCCUGGLKH-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)cc1C 170132846 DPGCNBVYJMAUFX-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)cc1C 170169935 YHOBJOMGIBPZQM-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3ccccn3)ccc2O1 170174078 KUEYWFXPGLGIIT-PEBXRYMYSA-N 446.890 4.841 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)ccc1Cl 170191006 GIYVVPFVQWCHMR-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)ccc1Br 170196927 YDQYMLLHXITOGT-LJQANCHMSA-N 441.325 4.673 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)cc1C 170225082 HLCOMGITGASEDB-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2c[nH]c3ccccc23)c1 170254483 TYCMRDDXTLCWOT-HSZRJFAPSA-N 448.519 4.572 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)cc1OC 170256389 ZIDICJVYGLAOIK-QHCPKHFHSA-N 446.503 4.706 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(O)c1 170258207 WOUYPMXJNCBWNT-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@@H]2c2ccco2)cc1 170284507 SJUZDBRSBKJCTJ-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccc(C)o1 170308462 RCQWJQWOHZNYPY-JOCHJYFZSA-N 441.524 4.643 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(N(C)C)cc2)c1 170446775 YOXCWRZIQIHPOY-JOCHJYFZSA-N 436.552 4.662 30 10 IJEE Cc1ccc([C@H](C#N)C(=O)c2cc(Br)ccc2I)cc1 235913380 SNSFFROINWZLOA-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE CCCCCCCOc1ccc(C=c2sc3nc(-c4ccccc4)nn3c2=O)cc1OC 254418989 FAISZUZGHWVGKY-UHFFFAOYSA-N 449.576 4.724 30 10 IJEE CN(C)C=Nc1nnc(SCc2ccc(C(=O)Oc3ccc(F)cc3F)cc2)s1 254792222 UEMSEAXPTRZXHQ-UHFFFAOYSA-N 434.493 4.549 30 10 IJEE C=CCN(C[C@@H](Cc1cc(F)ccc1Br)NCCC)C(=O)OC(C)(C)C 406874600 XSNDYGAYPJWIAT-QGZVFWFLSA-N 429.374 4.922 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 443508849 GVMUHXYXCXHETF-UHFFFAOYSA-N 444.476 4.522 30 10 IJEE C=CCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nnc1-c1cccc(OC)c1 488904952 VCVBMVHQBBPBOU-UHFFFAOYSA-N 438.582 4.636 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCC[C@H]1CC(=O)NCC)c1ccc(C(F)(F)F)cc1 500106877 QDQVNDPVCHOFGL-RBUKOAKNSA-N 425.495 4.803 30 10 IJEE CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@@H]21 504242435 ZBPYCSQAPDWGIA-LAWREARLSA-N 428.532 4.743 30 10 IJEE Cc1nc(C2(NCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CCCCCC2)no1 507698333 OUQQJKBTBFCYGI-UHFFFAOYSA-N 438.576 4.561 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 508478857 UKVPPSPEGSPRNP-UHFFFAOYSA-N 446.498 4.633 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OC2CCCC2)CC1 508738488 GHHQYTYSIARMJX-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccc(C)o1 526491806 RKHMGKVUKJYLDU-JOCHJYFZSA-N 430.460 4.924 30 10 IJEE COc1cccc([C@@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccccc2C#N)c1 526606561 GDOVZXXZMKVLCI-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE COc1ccc(S(=O)(=O)Nc2cccc(CNc3ccc4cc(C#N)ccc4n3)c2)cc1 536766428 HBFMIQIEKQPZJA-UHFFFAOYSA-N 444.516 4.528 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 549326509 FAOPJSGGWCSLLS-UHFFFAOYSA-N 449.486 4.668 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H](c2ccccc2)O1 549582575 PVHCVIHOLKBNDA-WZONZLPQSA-N 441.560 4.893 30 10 IJEE CC(C)c1ccc([C@H](NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)cc1 550531720 GGKNLBWOOLAKKF-QHCPKHFHSA-N 431.561 4.607 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc2ccccc2cc1Br 558090741 AIHYRFLWSNUBJP-UHFFFAOYSA-N 426.270 4.734 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1c(F)ccc(Br)c1F 561238579 SPTVDVCFHKXXGI-UHFFFAOYSA-N 426.305 4.652 30 10 IJEE CCc1ccc(-n2c(=S)[nH]c(O)c(C=Nc3ccc(Br)cc3)c2=O)cc1 585145545 AIEJLFKUCHOZPM-UHFFFAOYSA-N 430.327 4.676 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)[C@@H]1C[C@@H](NC(=O)CCCc2ccc(C)cc2)CCN1 585838424 GYXGYYYSDPNNRU-BBYKJUTGSA-N 448.607 4.626 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cc(C)ccc2C)cc1OC 586227262 FTHRHTZMOPAHQP-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1 608843341 KMNKXLFHQUKOAB-IBGZPJMESA-N 442.947 4.781 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1OC 741606525 QKHPXFYSOYXVDA-LVWGFFTQSA-N 426.582 4.534 30 10 IJEE CC(=O)[C@@H](Cc1ccc(Cl)cc1F)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 768697188 MPXFJULQCBWQBN-OAQYLSRUSA-N 438.842 4.895 30 10 IJEE N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)cc1O 785627763 HMBAVEKTJLWZRI-JOCHJYFZSA-N 440.421 4.659 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Br)c(C)c2F)ccc1OC 788751456 LLBZTXNSGLEMSJ-CQSZACIVSA-N 435.293 4.516 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)c1ccc(F)c(C#N)c1 792305297 BYTHAMGZFZDLMM-UHFFFAOYSA-N 433.277 4.652 30 10 IJEE CC(=O)N(c1nc(COC(=O)[C@@H](C)Oc2ccccc2C#N)cs1)c1ccc(C)cc1C 914680253 VZNSUQVERUZRBE-QGZVFWFLSA-N 449.532 4.827 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2ccc(C)c(Cl)c2)n[nH]1)c1ccccc1 1084622560 SXCJAJYLNGNUNK-UHFFFAOYSA-N 428.949 4.724 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 1125275325 GRWWSTHIAZYCAB-CYBMUJFWSA-N 434.355 4.989 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 1125367436 CBVVHPMLLYNDMW-QGZVFWFLSA-N 431.879 4.996 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2C1=O 1127125500 ZLMCWWXDICJDEU-UHFFFAOYSA-N 442.437 4.507 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1127457777 FNMVCUQYKIQHKX-INIZCTEOSA-N 427.439 4.617 30 10 IJEE C=CCN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1128181523 YQRLGBZRTGRDRE-UHFFFAOYSA-N 433.364 4.978 30 10 IJEE Cc1ccccc1CN1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 1135341647 FMAYBVMIGINNJJ-UHFFFAOYSA-N 425.532 4.811 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(F)cc2Br)cc1 1136097443 KXZQSCSXRRSWHP-UHFFFAOYSA-N 426.673 4.801 30 10 IJEE CC(C)[C@@H](C#N)N1CCN(C(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CC1 1136574825 DJMBBCLQRTYKSJ-OAQYLSRUSA-N 438.641 4.872 30 10 IJEE C#C[C@H](NC(=O)[C@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1141643887 APIKRPHREFHWCU-HOFKKMOUSA-N 432.564 4.858 30 10 IJEE Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(CCC#N)CCC(C)C)ccc1Cl 1144537121 HKPRMBDTFXCACH-UHFFFAOYSA-N 447.988 4.851 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1161580378 KQQYMHTVIPGCMB-LJQANCHMSA-N 426.582 4.959 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 1201298868 RWZASYIQLFWMLV-UHFFFAOYSA-N 429.923 4.525 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)C1CCOCC1 1204189496 URAJUHCMBZIKMT-LJQANCHMSA-N 447.304 4.930 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)cc1 1215273576 ONSLQRIQQLOCGD-OAQYLSRUSA-N 441.572 4.588 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCOc4ccc(Br)cc43)cc2n1 1220160364 QYPXXYUJXBLZDJ-KRWDZBQOSA-N 427.302 4.630 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)NCCc2c(OC)ccc3ccccc23)ccc1OC 1227533542 CJCXBRTWEOYYIC-FQEVSTJZSA-N 447.535 4.580 30 10 IJEE C#C[C@@H](NC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 1230498748 JOTMWGJBPYHPBP-RTWAWAEBSA-N 439.353 4.687 30 10 IJEE C=CCN(C(=O)[C@@H](OC)[C@H]1CCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1264264000 SVNHZUBCBVPWDF-GUYCJALGSA-N 427.353 4.687 30 10 IJEE C=CCOCC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1265419497 GNYRYNPHHZGXJK-SFHVURJKSA-N 426.713 4.844 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3csc(-c4ccc(Cl)cc4)c3)C2=O)cc1 1268982417 HMIYWAJEEHCAIO-FQEVSTJZSA-N 435.936 4.866 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)CCCN1C(=O)OC(C)(C)C 1270079825 JULYSFNAYNCLCW-RUZDIDTESA-N 437.515 4.928 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H](CC#N)c2ccccc2)C1 1271838047 GCUXZHXEHBRRBS-SFTDATJTSA-N 440.385 4.848 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](c1cccnc1)C(C)C 1286304453 NEVNKMDQJQSIHA-AUSIDOKSSA-N 426.568 4.643 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C 1286316517 VVYRPCAGIGBHII-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)c1nc(C)cs1 1286368574 VLBOEDJXIZSLTA-QGZVFWFLSA-N 447.564 4.755 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(OC(C)C)nc1 1286377735 DWTBDAGOZXGEQZ-UHFFFAOYSA-N 447.583 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1sccc1C 1286515011 SWYVVRYCAQBBFJ-XMMPIXPASA-N 433.581 4.558 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(CN2CCCC2=O)cc1 1286583277 JNIOCWUBTRETCX-UHFFFAOYSA-N 435.616 4.584 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1286625008 RXAAFIBQKPXCBJ-FQEVSTJZSA-N 444.023 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1286641301 WMEPDZZFXCFHSG-UHFFFAOYSA-N 444.583 4.801 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1286661517 GGLIHZBOHHGEOJ-QFIPXVFZSA-N 439.007 4.642 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286718213 BFPJYAWTNIGMSU-UHFFFAOYSA-N 449.555 4.881 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCCN1CCCCCC1=O 1286745293 BYYMZXXOLIUVSV-UHFFFAOYSA-N 437.632 4.852 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CC[S@@](=O)C(C)(C)C 1286747156 KEACUZCKPXPYOZ-WJOKGBTCSA-N 444.576 4.725 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCC(F)(F)F)C1 1286807707 FPTQMBGHQRXMBD-QGZVFWFLSA-N 447.461 4.724 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(F)(F)F)cs1)C1CCC1 1298125681 CXAMPAXYJAPMDX-UHFFFAOYSA-N 432.475 4.523 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)noc1C 1300787995 PVFMBEIEVDRWBF-UZUQRXQVSA-N 439.947 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN(CC)CCC 1300817816 YIFOBNDXSYXJPU-XMMPIXPASA-N 425.646 4.603 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(F)cc1 1300950652 LAUVSEWXOZMDNY-LJQANCHMSA-N 443.567 4.744 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN2CCC)CC1 1301109600 MJYXFQGCMVVGGJ-CTNGQTDRSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](OC)C2CC2)CC1 1301110084 SZFLYONEVOTRAF-IBGZPJMESA-N 431.378 4.535 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2ccc(CC)o2)nnc1[C@@]1(OC(C)C)CCOC1 1301234362 JFTFTWWMTZZUGY-GBXCKJPGSA-N 428.577 4.782 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CC(F)(F)c1ccccc1 1301359931 RSRFZNWIOALBPL-UHFFFAOYSA-N 438.507 4.781 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@](C)(OC)CC2)cc1 1301519816 YQXBXSWBSPFYLC-VWLOTQADSA-N 436.556 4.855 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(CC)CC)cc2)C1 1301542464 OFRPOTQIPAIGNH-QFIPXVFZSA-N 435.572 4.522 30 10 IJEE COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@@H]1C 1310367188 AZQYXFWZZNCAPR-FZKQIMNGSA-N 447.413 4.785 30 10 IJEE C=CCN(C(=O)c1cnc2[nH]c(O)nc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1350809072 ZWTUKARXLYUCDD-UHFFFAOYSA-N 446.319 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 1357176979 WYCMUPNCPXAQBV-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)C(F)(F)F 1358877127 XORLLEQJRXGEKM-NSHDSACASA-N 447.274 4.893 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(SCC)c1 1358880128 FKGABMZAUFUTRK-HNNXBMFYSA-N 441.988 4.620 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1358907704 YCSAXRDLMJTRSW-NRFANRHFSA-N 426.467 4.506 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1358928842 MCKWGBCALUJAQE-OXJNMPFZSA-N 443.389 4.819 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](OC)C(C)(C)C 1358986333 UUOYINOSUTYYAY-RXVVDRJESA-N 442.991 4.596 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(CC)C1CC1 1359002337 VYAZAYDNPUPQMV-UHFFFAOYSA-N 428.005 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CCCCC1 1359063831 FOBIEJKSEMASFR-PXDATVDWSA-N 436.600 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1cc(Br)cs1 1359073007 YOPCUCDIRLRTJU-LJQANCHMSA-N 447.427 4.795 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CC)C1 1359079277 FECQWFFZTPMIMF-ZDUSSCGKSA-N 446.176 4.776 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359124660 XILAJQUAOWXXQG-LPHOPBHVSA-N 425.335 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(F)(F)F 1359187341 JZOWJWFNLYSGSH-UHFFFAOYSA-N 434.466 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1359192685 LOHNIUWACNJZLH-RUZDIDTESA-N 442.604 4.714 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](C(=O)OC)C1 1359210190 MHYWGJJEOZVFGD-SFHVURJKSA-N 428.602 4.631 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1359221737 LZYUYQXIHUDRIN-RTBURBONSA-N 437.371 4.981 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1Cc1ccsc1Br 1359243271 LVCDDJCNFIRILO-UHFFFAOYSA-N 442.386 4.776 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H]1C(=C)C 1359260250 XZNANGRFXIVZHG-REWPJTCUSA-N 435.547 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H](c1ccco1)N(C)C 1359269033 MEVTVQYEQPHPAV-OAQYLSRUSA-N 428.540 4.568 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOc1ccc(OC)cc1 1359284629 BVWTVVGCZSDYPJ-QGZVFWFLSA-N 438.597 4.841 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CN1Cc1ccccc1 1445786503 HDUYZEVKZOQEPO-HYBUGGRVSA-N 425.532 4.938 30 10 IJEE C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CN1Cc1ccccc1 1445786506 HDUYZEVKZOQEPO-YKSBVNFPSA-N 425.532 4.938 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2ccccc2OC2CCCC2)CC1 1448824189 DIEHIVNPPJZVAD-QHCPKHFHSA-N 437.971 4.613 30 10 IJEE C#Cc1cncc(C(=O)Nc2nc3cc(Br)ccc3n2-c2ccc(C)cc2)c1 1456859059 CKSVFDRAVVRHLR-UHFFFAOYSA-N 431.293 4.725 30 10 IJEE Cc1ccc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(OCC(F)(F)F)c1 1457659792 FEXYNWCZXVHUHK-UHFFFAOYSA-N 437.487 4.537 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC)c1ccc(F)cc1 1460784337 AIVDSLSQICAAFO-QGZVFWFLSA-N 432.879 4.939 30 10 IJEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccccc1CCC 1463108852 FHGDDFSAPBTDIU-IBGZPJMESA-N 448.382 4.549 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)c3ccccc3NCc3ccccc3Cl)CC2)cc1 1463587299 HULDXQHKCQKGAP-UHFFFAOYSA-N 444.966 4.782 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)CC2)c(Cl)c1 1466232717 HSWZEBRNQMANDG-SFHVURJKSA-N 428.886 4.554 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1cc(F)c(Cl)cc1I 1467096421 HKUQHHDAYMVCSO-UHFFFAOYSA-N 442.659 4.751 30 10 IJEE C=CCn1c(S[C@H](C(N)=O)C(C)C)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1472916132 IRSIRTQWNZJBPO-YJBOKZPZSA-N 432.659 4.946 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2ccc(F)cc2Br)cc1 1473442406 CBFBEBZKHQNZCX-MRXNPFEDSA-N 432.337 4.664 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 1476601040 XJJNXTHKCWUGPO-UHFFFAOYSA-N 445.466 4.793 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1Cl 1477916298 VXFLWYMDHNVPME-DEOSSOPVSA-N 434.923 4.949 30 10 IJEE COC1(C(F)(F)F)CCN(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 1478448852 FSEWVXAUMKXNQE-UHFFFAOYSA-N 442.375 4.629 30 10 IJEE CC[C@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1497210371 HLJPEEJCGZWHSY-CLOONOSVSA-N 449.555 4.672 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCSC1 1503413325 AROVBXSQYJJZKE-HKUYNNGSSA-N 431.556 4.974 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCCC(F)(F)F 1507699281 BCJOIAMCXZISCW-UHFFFAOYSA-N 431.437 4.770 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N(CC)CC 1507763398 BWOOQEGSXOOHSJ-RQNQAMLKSA-N 437.632 4.757 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1507827127 URYLYDUZORCQDT-MSOLQXFVSA-N 445.405 4.927 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507827558 REJNSDCRUQQHHM-HNNXBMFYSA-N 436.387 4.521 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCCN(C)CC(F)(F)F)CC1 1507878442 KFBLMOWEKLOPDR-UHFFFAOYSA-N 427.902 4.639 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@](C)(O)CCOC)CC1 1507881153 PPBDCOYPMYWIPD-JOCHJYFZSA-N 447.004 4.757 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1507924282 KZMJPOKXXZPPIX-UNMCSNQZSA-N 433.600 4.772 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1CC 1507936057 XEIJIUCZCBBVKB-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1csc(C(C)C)n1 1507970290 HIPAMQGWANFXDX-UHFFFAOYSA-N 433.585 4.780 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@@H](C2CCC2)C1 1508065590 MLNUCXOEIITJCH-INIZCTEOSA-N 437.371 4.603 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Sc2ccccc2)C1 1508123532 CPNBTUIQARSDAJ-AZUAARDMSA-N 440.638 4.893 30 10 IJEE CC(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(Cl)c1 1516777888 CGRLFVKWFIPCBD-AWEZNQCLSA-N 432.307 4.644 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(OC)c1F)c1ccc2c(c1)OCO2 1521283684 FKEKHCGOJIWCJH-UHFFFAOYSA-N 435.451 4.975 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)Oc1ccccc1)c1ccc2c(c1)OCO2 1523443796 RPYUHTJYMQGKBC-IBGZPJMESA-N 431.488 4.981 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCC3CCCCC3)cc2)cc1 1525585867 GSOGGNKFCLMTBP-UHFFFAOYSA-N 442.581 4.705 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)C1 1525822921 CVZLISYSJBHNRF-LVXARBLLSA-N 446.551 4.524 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1528528199 QGXVCFWBMWAJEF-OPYAIIAOSA-N 447.417 4.861 30 10 IJEE C=CCC1(C(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)CCOCC1 1528890244 FCGQGLDDRUZOAP-UHFFFAOYSA-N 447.358 4.760 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 1532322655 BYBNWGYNJMYIIL-RBBKRZOGSA-N 436.600 4.935 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1)C1CCOCC1 1533501200 QWLLUIHSIHYALD-RUZDIDTESA-N 427.548 4.821 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc2ncc(I)n2c1)c1ccccc1 1533766070 HMGSGVHSERVWBI-KRWDZBQOSA-N 445.304 4.766 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2[C@H](C)C[C@H](C)[C@@H](C(=O)OCC)[C@H]2C)s1 1537847660 DSOYKQCPEPZDJF-HMECXNKFSA-N 445.050 4.663 30 10 IJEE CN(C(=O)COc1cccc(Br)c1C#N)c1nc2cccc(Cl)c2s1 1538796013 GQMNMPNBOOBVFC-UHFFFAOYSA-N 436.718 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1539359940 VBYPSYVTDJVNRT-ROUUACIJSA-N 448.489 4.545 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN(C(C)C)C1 1539569717 RPWBJGGYLNISKM-WXVAWEFUSA-N 449.643 4.532 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1539894407 GQPZPBUSLGPGHB-RCZVLFRGSA-N 438.616 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1539903290 VTTYPDXOLZXGNR-LJQANCHMSA-N 431.650 4.575 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1540042825 RWOHFVYNPRTUCG-FPOVZHCZSA-N 428.552 4.748 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 1540560901 FAMJQAFWCGTNIJ-DEOSSOPVSA-N 444.579 4.829 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC#N)CC1 1546633767 HFJXYUHFZWUGNW-UXHICEINSA-N 437.588 4.919 30 10 IJEE COCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1555215335 FBJLHXZWWGWYKT-XDHUDOTRSA-N 441.645 4.934 30 10 IJEE CCOC(=O)c1cc(C)sc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N 1559371925 GBCMUTOHGVZAKH-UHFFFAOYSA-N 437.546 4.898 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)C(C)C 1563453635 LZBHEHQXWQNFFW-IFMALSPDSA-N 448.449 4.722 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](O)COc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 1564406300 CSIKCQHAZCDEGU-ICSRJNTNSA-N 440.437 4.591 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccc2oc(=O)n(C)c2c1)c1ccc(C(F)(F)F)cc1 1564407078 VPOSKUKLQUAINX-QGZVFWFLSA-N 433.430 4.657 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)cc21 1585545955 BUGJMIJXCFSNHU-CQSZACIVSA-N 429.307 4.521 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 1586104525 VTCKPPZAIHDQMM-OAHLLOKOSA-N 430.455 4.643 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1587738841 JPBYAWZISPGXRZ-PGRDOPGGSA-N 436.581 4.785 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2ccsc2)CC1 1587817837 IPDICIXBDVBVBS-UHFFFAOYSA-N 444.402 4.895 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](c1ccsc1)N(C)C 1587915741 QNSZQQNZTDXVOD-UZLBHIALSA-N 444.004 4.505 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOCCCC 1587937362 LRRVELKUNUUDEL-UHFFFAOYSA-N 439.785 4.637 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1Cc1nc(C(C)(C)C)cs1 1588198244 LZBNZNYCOUFMDA-UHFFFAOYSA-N 431.609 4.773 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1csc(C)c1 1588200165 FMHNKXQFQIPNFY-UHFFFAOYSA-N 448.592 4.622 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1588984168 GLHQGWHSCMGKSR-LMNJBCLMSA-N 426.630 4.884 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC(C)C)nc1 1589223458 KVUXICRJRJTAPB-RUZDIDTESA-N 449.986 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1589514221 DYZJFQGQZWODCN-JKSBSHDWSA-N 441.526 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(OC)cc1C(F)(F)F 1589669499 XIDVWAXNZJHBAD-UHFFFAOYSA-N 445.489 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)c1ncc(C)s1 1589687368 CPBNOYKGFHHXPY-MRXNPFEDSA-N 429.565 4.967 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1cccc(Cl)c1 1593690090 ILXXQEWPKUTQLZ-WOJBJXKFSA-N 432.996 4.941 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC=C(C(C)(C)C)CC1 1593717010 AKONPTMVGGBOJF-UHFFFAOYSA-N 440.588 4.738 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)c2cccc(F)c2)CC1 1594193558 RMZXVCXYZNBHJI-GOSISDBHSA-N 430.568 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC1CCOCC1 1594461359 QPCPILORCPMCKQ-UHFFFAOYSA-N 427.549 4.709 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1594552488 NZJUUEHZUZKRLG-FNZWTVRRSA-N 449.599 4.524 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1594698108 LNOVUSSBPHCRHA-OAQYLSRUSA-N 439.604 4.919 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CCCCOC)C1CC1 1595033701 NLFZPAWURIDODN-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CC1CCN(C(=O)OC)CC1 1595127280 LNTHEYPIDJYOSI-SFHVURJKSA-N 443.567 4.602 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC[C@H](C)C2)C1 1595679751 AYXZHTWTSVMRCU-ABSDTBQOSA-N 445.405 4.925 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1607997362 GSDWIOPZNXZFRH-UHFFFAOYSA-N 432.528 4.876 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(Br)c(OCC)c(OC)c3)cc2n1 1611184840 OOAKMHGBNISNBR-UHFFFAOYSA-N 430.302 4.644 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCS1 1613250750 ACVAMLQLUWOEMM-UTKZUKDTSA-N 425.602 4.607 30 10 IJEE COc1ccc(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)cc1 1619226497 HURVAUXHBFORIG-WMZHIEFXSA-N 437.588 4.537 30 10 IJEE C#C[C@@H](NCc1nc(Br)c(Br)n1CC)c1ccc(Cl)cc1 1621368252 DKOAFUOKVCICAH-GFCCVEGCSA-N 431.559 4.546 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(F)c(F)c2)c1 1621595559 FUZORGOBSWIDGQ-UHFFFAOYSA-N 430.428 4.528 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 1621753638 XSZRZMPQTMZPJS-UHFFFAOYSA-N 443.484 4.520 30 10 IJEE C=CC(C)(C)CNS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 1622133402 XMBWBDPUEAXRKV-UHFFFAOYSA-N 428.323 4.871 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CCOc1ccccc1I 1626788561 AWYBXMWIZXEFQU-UHFFFAOYSA-N 435.305 4.665 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 1629022517 PWLNRIMFZKDJIL-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1636558192 WSGJTGUIVCBYIU-RBUKOAKNSA-N 433.980 4.739 30 10 IJEE C#Cc1ccc(C(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)cc1 1639749446 KRALMJCEOIUPCP-OAQYLSRUSA-N 429.301 4.510 30 10 IJEE CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC(NC(=O)OC(C)(C)C)C1 1640916357 CZNPZEWSPIMTRO-UHFFFAOYSA-N 439.487 4.617 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 1642218853 FHKQAKSGUXXTCI-WOJBJXKFSA-N 436.625 4.845 30 10 IJEE N#Cc1cc(F)cc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 1643623847 FLNOMOOEWXZLLF-UHFFFAOYSA-N 434.858 4.918 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(I)ccc2N2CCCCC2)C1 1645067253 UOYVLAWRTSKGHK-MRXNPFEDSA-N 438.353 4.710 30 10 IJEE CC(C)(C#N)c1ccccc1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1645177939 HRNDCXSHEBHIGS-QFIPXVFZSA-N 437.385 4.633 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1)c1ccccc1 1646624077 KJZQRDFBPRBMCS-PMERELPUSA-N 440.594 4.723 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C(C)(C)CC)CC3)c2C#N)C1 1654062175 GNOGCRAAFRWOJE-GOSISDBHSA-N 444.689 4.906 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C(F)(F)F)cc1 1654702964 UVUMMSONQDPYIS-INIZCTEOSA-N 428.432 4.908 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(Br)c1OC 1655625896 CNERONVRZZNLJD-OAHLLOKOSA-N 444.778 4.577 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CC(=O)OC)c1cccs1 1670845743 SYKLGIKBHVLEBK-AWEZNQCLSA-N 439.331 4.501 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1 1675730925 UYYQLQVMRLQZAF-ZEQRLZLVSA-N 425.548 4.596 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CSc2ccc(Br)cc21 1680741095 BFZCFHIYMFCYOB-ROUUACIJSA-N 428.355 4.844 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 1682350742 HOBQFBJUPAJEJS-XMMPIXPASA-N 428.511 4.513 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H](C)C#N 1689880121 RJSHCQNKYIMYTA-CQSZACIVSA-N 434.769 4.760 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)CC1 1690472659 SOVONBSTZGWWQG-GOSISDBHSA-N 429.996 4.712 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCO[C@H](C)C1 1690533672 RITAQOZZKNDWGP-HZPDHXFCSA-N 439.387 4.991 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@H](c1ccsc1)N(C)C 1690558359 MTXNKMMJJYRRJH-QFIPXVFZSA-N 434.613 4.830 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1690744064 JJFPLJABWYAFLR-JOCHJYFZSA-N 426.630 4.995 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C(C)C 1705514614 CMYAYFNIHXZJLB-JOCHJYFZSA-N 446.599 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1705589330 PEHFNNVPVIUWKG-GIFXNVAJSA-N 431.628 4.555 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCC[C@@H]1C 1705593777 IHSHVXMDVFMMEF-UNMCSNQZSA-N 434.584 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)OC1CCCC1 1705697798 NWLPNDUWBMYHEH-SPEDKVCISA-N 444.551 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1705719685 HMUMTBDEXCIXBV-XUZZJYLKSA-N 426.605 4.937 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1705732318 VLVSMPAAGPAMKN-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)C1)c1ccccc1 1705795950 VKGYJXFQOSTWMM-TZIWHRDSSA-N 430.556 4.522 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705943144 OZQXZENEVZWDJR-QGZVFWFLSA-N 428.631 4.650 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C)CC1 1707039975 CXKXRSBGEPEMDH-ZHRRBRCNSA-N 431.943 4.930 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC(C#N)CC1)c1ccco1 1710019476 FQYMTQUGKMTRRN-QFIPXVFZSA-N 432.572 4.670 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1722317325 SLMBZNYXBIVSNG-WCRBZPEASA-N 443.636 4.647 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCCN1CCC[C@H](C)C1 1722417683 PJHZKNFLNCIQPA-NRFANRHFSA-N 439.623 4.867 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1722555751 GWHFGWLLHOWLFL-QGZVFWFLSA-N 437.371 4.516 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(O)(CCC)CCC)CC1 1722581803 YSSPHJGDUGAXCE-NHCUHLMSSA-N 432.653 4.930 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1C)c1ccccc1 1722596117 CLIDQAKZLRSNMG-ICSRJNTNSA-N 435.597 4.618 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1722642191 TZEWIMQUKXNNHM-OYRHEFFESA-N 434.632 4.731 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCCc1nccs1 1722659284 RSSLZYDECNPTAM-UHFFFAOYSA-N 434.544 4.761 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1ccc(C)cc1 1722662150 GRXBIACEEFCYJB-HXUWFJFHSA-N 449.624 4.767 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCCn1cnc2ccccc21 1722675668 QVVPUWCMSXNSLF-UHFFFAOYSA-N 432.572 4.844 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCOC2)C1 1722732800 PHORWEYYXXCQFL-JTSKRJEESA-N 449.020 4.608 30 10 IJEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1)N(C)C1CC1 1723817423 DHQUNWXAOVKMPD-OAHLLOKOSA-N 441.004 4.651 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)C1 1726462099 HHTHNYAGAPAPEV-FNAHDJPLSA-N 434.632 4.810 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)CCC1 1730648336 BJWOVEFCQMFQLT-PMACEKPBSA-N 437.588 4.560 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1Cc1ccc2c(n1)CCCC2 1740677823 ROMIJBJPIWVYNK-LJQANCHMSA-N 431.559 4.893 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC2=CCCCC2)CC1 1740690849 OSWKHBCGFYREIQ-HSZRJFAPSA-N 447.627 4.681 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1C1CCC1 1740747910 AKAKNBAZSBMIKQ-LJQANCHMSA-N 431.378 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H](C)c1ncc(C)s1 1740774870 DNNPPRRNNITBNK-KRWDZBQOSA-N 425.602 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1N(C)CCCC1(C)C 1740777017 KEVRSGDYBXJKLB-OAQYLSRUSA-N 429.584 4.519 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1740807406 ZJSAHVVBWZJZJQ-HDICACEKSA-N 430.980 4.977 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCSCC(C)C)CC1 1740837732 SCLLAHOYULJXBR-UHFFFAOYSA-N 436.629 4.922 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)OCC)CC1 1740866355 BGHFSUXJVIYATD-UHFFFAOYSA-N 443.617 4.514 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1740878627 PVPZBDOPFLNIDS-OAQYLSRUSA-N 434.588 4.920 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCCN1CCCCC1 1740920321 APIDRGLNZQKLLE-UHFFFAOYSA-N 448.590 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CC(C)C)CC1 1748684401 IQXWSGXWXCYCME-KRWDZBQOSA-N 445.405 4.904 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(Cc1ccco1)C(C)C 1749040265 SDGRLAAKVLKLFQ-UHFFFAOYSA-N 428.989 4.897 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(N(CC)CC)CC1 1749123450 DPTBQBIOIVTCBG-ZJSXRUAMSA-N 437.632 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1C(F)(F)C12CCC2 1749142184 RVKQAECEEAAVJB-LJQANCHMSA-N 443.542 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCN(CCC)C2)CC1 1749288135 MSRKCJZCZWLKJT-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(C)coc2C)CC1 1749331272 WFFRUDPUYAONND-UHFFFAOYSA-N 430.350 4.696 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(C)cc1)C1CC1 1749510639 NADOUDBWGMYSHQ-UHFFFAOYSA-N 440.389 4.752 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 1749511393 WMNCWZULYFAYAH-INIZCTEOSA-N 445.995 4.914 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCC2(C1)OCCO2 1749528609 WJFSDNSWZTVPSN-PZJWPPBQSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCCC1 1749538957 RHUWFHUSJBDLSG-UHFFFAOYSA-N 431.584 4.926 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1CCCCC1 1749565146 HYXJAPUQOUCCCI-UHFFFAOYSA-N 430.600 4.936 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(SC)CCC2)C1 1749697470 KQMLWCCGIMUSIE-ZWKOTPCHSA-N 446.592 4.624 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCO[C@@H](C)C1 1749746232 BFBOUGDRFXAKSH-AWEZNQCLSA-N 427.401 4.786 30 10 IJEE Cc1ccoc1Cn1c(-c2cccc(Br)c2)nnc1N(CCC#N)CC1CC1 1751363637 CUYOZJVQOGKQBD-UHFFFAOYSA-N 440.345 4.787 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1760130820 MPIOZIKQRKAUMY-QZTJIDSGSA-N 429.634 4.927 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@](C)(OC)CC1 1760147055 GAKXDKYLYPMMPR-NRFANRHFSA-N 431.378 4.516 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1760152603 RLVFLIAPJHGLFP-JOCHJYFZSA-N 434.632 4.543 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(CC2CCCCC2)CC1 1760157196 HQCMIVGQOYGKHJ-UHFFFAOYSA-N 433.644 4.569 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCc1csc(C(C)(C)C)n1 1760194798 QRKMIYBRSFYTRF-JOCHJYFZSA-N 445.636 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H]1CC[C@](C)(CC)O1 1760298241 YZEVLFSFFIENHH-BYXVTNLJSA-N 436.600 4.759 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@H]1CC 1760351231 CEQXAMGMBNVAEG-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1760361961 XDJPSLSYPCRJFB-WOJBJXKFSA-N 428.552 4.605 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 1760381144 AAZHKAUIGOFNNU-XGAFWQRZSA-N 425.552 4.611 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](CCC)C1 1760433701 LERKFZOQMOFCNF-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC[C@@H]1C 1760487513 WLKRRIPUXNONTO-LEWJYISDSA-N 443.661 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1C1CCCCC1 1760490725 HTGVPQUHCFWXQR-QHCPKHFHSA-N 435.616 4.929 30 10 IJEE CCOCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1767745910 BTQONIHOLPOBQL-UHFFFAOYSA-N 445.995 4.703 30 10 IJEE COc1ccc([C@H](Cn2c(C3CCCC3)nnc2N(C)[C@@H](C)CC#N)N2CCCC2)cc1 1768432065 FTMHBIZFWAHOEE-CVDCTZTESA-N 436.604 4.520 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(Cl)c2C)c(=O)cc1C(=O)O 1857890076 HGLOPSAIFXSYKE-UHFFFAOYSA-N 448.947 4.886 30 10 IJEE CC(C)C[C@@H](C(=O)N(C1CCCC1)[C@H](C#N)c1ccccc1)N1C(=O)c2ccccc2C1=O 1858008948 NHBNVDKVUPSMTO-BJKOFHAPSA-N 443.547 4.733 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccnc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1860505677 LLNGOKIAGDOJNR-UHFFFAOYSA-N 432.483 4.976 30 10 IJEE CCc1ccc(/C=C/C(=O)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 1860634655 YIWHIEXOWWDXRJ-ISLYRVAYSA-N 438.571 4.765 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(Cl)c(Cl)c1 1861055894 ZJXADLULKMUNBD-XLIONFOSSA-N 443.415 4.826 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862476526 LTHKHQNEIRXQJV-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1O 1862480567 JUTXLUPCALWRBR-QFIPXVFZSA-N 449.528 4.592 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862493634 VBKZHTNKQNSSLQ-HSZRJFAPSA-N 441.483 4.780 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862602900 NCXNHVDXJXHXNA-DEOSSOPVSA-N 441.483 4.736 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCCO)cc1 1862648986 OGTHBEHWCDCHBE-DEOSSOPVSA-N 429.516 4.889 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc12 1862692811 UUZJTHDHGFXLRU-XMMPIXPASA-N 445.515 4.853 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(OCC)c2)n(-c2ccc(Cl)cc2)n1 1870002869 XOODHJLDXBFGOZ-UHFFFAOYSA-N 437.931 4.750 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1Cl 1870136740 HXADSNIXUBAHCP-UHFFFAOYSA-N 430.295 4.550 30 10 IJEE CCCCCCCOc1cn(CC(C)C)c(CN(CCO)Cc2ccccc2)cc1=O 1870409304 OEURXJXPKKYZRT-UHFFFAOYSA-N 428.617 4.848 30 10 IJEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN(CCCC)CCCCCC 1870524769 JPLSZLRQFZUIGZ-NRFANRHFSA-N 433.637 4.510 30 10 IJEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C23C[C@H]5C[C@@H](CC(O)(C5)C2)C3)C4)o1 1871353665 UPEQSFVZYAXJTF-AKFAHEGZSA-N 447.531 4.748 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCOc4ccccc4F)ccc3C2=O)cc1 1871417861 BJGDFBDBVHZPDN-UCQKPKSFSA-N 434.419 4.686 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CCC 1872197010 HUTXXPSGZCVKOF-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872502403 YCAADFUEOGSZMR-HXUWFJFHSA-N 444.597 4.523 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3ccc(Cl)cc3)c(=O)oc2c1 1873902820 ZNNCBBAWZWHZRC-UHFFFAOYSA-N 425.912 4.959 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874349270 CIYUBDUQQODGEP-PCLIKHOPSA-N 430.533 4.758 30 10 IJEE CSc1nnc(CCc2cccs2)n1/N=C/c1cc(Br)ccc1F 1874369320 VCXZKDHWOLWUTC-VXLYETTFSA-N 425.352 4.631 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874376506 ZPXNAPCPLAOWDX-LPYMAVHISA-N 431.334 4.931 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cccc(Cl)c1 1874391531 KJQGEKQQMSRNAQ-ZVHZXABRSA-N 442.972 4.758 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1C1CCCC1 1874457491 RATATOJUXCSAAS-ZVHZXABRSA-N 444.601 4.898 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(O)c1 1874474154 PHTOJJUNNBVUOT-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1 1874575913 MZSQVFJOASLKQQ-XBXARRHUSA-N 428.897 4.719 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCc1ccc([N+](=O)[O-])cc1 1874582491 QGVXIMRAPOIASW-YRNVUSSQSA-N 433.416 4.807 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC 1874598156 WWWOTMSVGBFKAE-UXBLZVDNSA-N 431.479 4.897 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(-c4ccc(C)cc4)nn3C)ccc21 1890803902 CZVOVCGHJUYLBB-UHFFFAOYSA-N 444.535 4.585 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](O)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C 1922058617 YXAYLKKDULKPFM-ATIYNZHBSA-N 448.648 4.772 30 10 IJEE C#Cc1ccnc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1 1985621768 ZDXGAJAJOXGDQN-VWLOTQADSA-N 439.515 4.565 30 10 IJEE N#Cc1c(Br)cccc1NCC1(F)CCN(C(=O)OCc2ccccc2)CC1 2043966311 BNFHHJMBMCNDGB-UHFFFAOYSA-N 446.320 4.874 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NC 2110503747 MSVDMIUCIUYAJH-CABCVRRESA-N 447.776 4.679 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2118200040 AANYFMXPMMTRCC-KRWDZBQOSA-N 426.330 4.542 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(OC)c1Br 2142369457 NMSUGYLHOHPBDS-MAUKXSAKSA-N 427.383 4.968 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 2145528335 IGDYENWJJBWLBK-VQTJNVASSA-N 437.422 4.975 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1CC1CC1 2233308943 WOOVOGMHUZPJMY-YJBOKZPZSA-N 441.414 4.566 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C1CC1 2235747486 QJARTJNJRXWLHJ-ICSRJNTNSA-N 435.406 4.862 30 10 IJEE C#CC[C@H](CC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237413418 FZEKUHZSVMSOCN-IEBWSBKVSA-N 434.374 4.894 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255529559 MAGCNNFRVBMHDS-GOSISDBHSA-N 425.353 4.812 30 10 IJEE C=CCCC1([C@@H](O)Cc2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 2266317934 MKHYEEAWLAKWPK-KRWDZBQOSA-N 428.342 4.695 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(F)c(F)c(Br)c(F)c1F 2267784526 ISSFZNGVSRAOSN-ANRSDYALSA-N 442.247 4.898 30 10 IJEE CCN[C@H](C#Cc1ccc(C)cc1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268737487 GOQGAXJDEHRJQT-RUZDIDTESA-N 448.607 4.779 30 10 IJEE C=CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2C)SC1=S 2293250208 OIQWKOMFSVIHJN-UHFFFAOYSA-N 426.519 4.869 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc(C(=O)C#Cc3cccc(Br)c3)c2C1 2296218257 CBQVARDWHWBVEV-UHFFFAOYSA-N 426.310 4.934 30 10 IJEE CSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)s1 2296244710 QDEZFSRFVPQGJB-HNNXBMFYSA-N 443.937 4.540 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@@H](N)C#Cc1ccc(Br)cc1 2296290314 BDFSUBDIBHRXSV-PMACEKPBSA-N 435.406 4.849 30 10 IJEE CCC[C@]1([C@H](C#Cc2ccc(Br)cc2)NC)CCCN1C(=O)OC(C)(C)C 2296307685 XUGGLHXIJDCVEN-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296311620 ZCFNSVPTBPFRQJ-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 2296564593 UZSBBXWOGWIEFH-FQEVSTJZSA-N 438.867 4.661 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1c(Cl)cccc1Cl 2321075912 LXVQJTWMHLCOGA-UHFFFAOYSA-N 438.315 4.645 30 10 IJEE CCCOc1ccccc1C=Nn1c(C)nnc1SCC(=O)Nc1ccc(CC)cc1 2321103528 BBQDVGHYSKPURT-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2Cc2ccccc2)c1OCc1ccccc1F 2321955339 SIBHCWYZPSSODL-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE O=C(COc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2322948531 SUVXMWXYGRPKHS-UHFFFAOYSA-N 438.382 4.889 30 10 IJEE CCCNC(=O)COc1c(OC)cc(C=CC(=O)c2ccc3ccccc3c2)cc1OC 2323396038 MSRDQYFIUGVBRG-UHFFFAOYSA-N 433.504 4.658 30 10 IJEE CCOc1c(OC)cc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1OC 2323852700 SUUIJXAOHWGDKY-UHFFFAOYSA-N 440.525 4.630 30 10 IJEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(OC)c(OC)c1)C2=O 2324097247 HVHWURAFIFEFSP-UHFFFAOYSA-N 425.525 4.956 30 10 IJEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324156379 BBFZATBLVILASQ-UHFFFAOYSA-N 442.515 4.782 30 10 IJEE Cc1ccc(C=C2Oc3c(CN4CCN(c5ccccc5)CC4)c(O)cc(C)c3C2=O)cc1 2324169394 AZPPYSQWEROMMI-UHFFFAOYSA-N 440.543 4.947 30 10 IJEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2324234209 AIXOVTXOYGCLGA-UHFFFAOYSA-N 443.499 4.799 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccco2)cc1 2325443926 HBEDKZLEANOOLL-UHFFFAOYSA-N 433.493 4.739 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)ccc3C2=O)cc1 2325514040 QUOSQLAZDRDVHP-UHFFFAOYSA-N 437.398 4.607 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)c1ccc(NC(=O)C2CC2)cc1 2325648949 BUHPGMRTWLGROK-UHFFFAOYSA-N 439.467 4.913 30 10 IJEE CCN(CC)CCOc1ccc2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O 2325703257 PUFFPAQMWAADFK-UHFFFAOYSA-N 446.341 4.795 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2)cc1Br 2326211676 KSKIPNQSRLIQLM-UHFFFAOYSA-N 431.359 4.922 30 10 IJEE CCOc1c(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC)cccc1OC 2327458086 RSDFPORNHLGFDC-UHFFFAOYSA-N 448.495 4.537 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1cn(C)c2ccccc12 2328289381 MUECEQXLIGWPBT-UHFFFAOYSA-N 433.537 4.518 30 10 IJEE O=C(N[C@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1ccc2cc[nH]c2c1 2328355719 UNCYBKKWMWWRCS-GHTZIAJQSA-N 442.346 4.608 30 10 IJEE CCCOc1cccc(C=Nn2c(CCc3ccccc3C)nnc2SCCCO)c1 2329509094 ONHYGTKLCSRWOF-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330623339 HYJAKMYFGHVVRI-UHFFFAOYSA-N 439.370 4.754 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(F)cc1F 2330804388 DFPVRLUWXZNSRY-UHFFFAOYSA-N 443.523 4.758 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1c[nH]c2ccccc12 2330874264 GKRMKBBYOXCHHJ-UHFFFAOYSA-N 427.574 4.522 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C(C)(C)C 2331376699 JIWJHOQZOILVFT-UHFFFAOYSA-N 431.562 4.698 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339574451 IFYKHMCRFRIUBN-JKIKYLSZSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339600171 LKYLXATXANMRKN-KDURUIRLSA-N 444.381 4.941 30 10 IJEE COc1ccc(Oc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c(Br)c1 2364930755 ZYLUWUANKZNLGO-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@H](C#N)c1cnn(CC(F)F)c1 2369058977 SYURUVTUDFGKGS-OAHLLOKOSA-N 441.276 4.917 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/c2ccc(OC)c(OC)c2)C3=O)cc1 2103491 ZKSVBPCCXGBGDZ-DHRITJCHSA-N 446.455 4.590 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1cc(C)ccc1C 16717392 YZDZUMSUEYPWHF-INIZCTEOSA-N 426.973 4.987 30 10 IJEE COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Br)ccc2F)c1 21258037 PECVHFJSIWWJAH-SUMWQHHRSA-N 444.300 4.601 30 10 IJEE Cc1cccc(-c2noc(-c3nn(CC(=O)Nc4ccc(C#N)cc4)c4ccccc34)n2)c1 65111356 CPXIFXNSDWXYMS-UHFFFAOYSA-N 434.459 4.572 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 103023063 YCPYSXPVYULRRS-CIAFOILYSA-N 442.876 4.733 30 10 IJEE O=C1SC(c2ccccc2)=C/C1=C\NCCN/C=C1\C=C(c2ccccc2)SC1=O 103317292 FGHLAHKYCWIRQI-MXWIWYRXSA-N 432.570 4.562 30 10 IJEE CCS[C@]1(CCC#N)c2ccccc2C(=O)N1Cc1ccc2c(c1)N1CCN=C1S2 104424190 PKMTZFOQYQEQEU-HSZRJFAPSA-N 434.590 4.834 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccs2)c(C)c1 169982440 JHJMVFSLMZBVFR-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(C)o2)cc1 170103185 CAFZDURLCWVTCJ-NRFANRHFSA-N 427.460 4.810 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1cccc(C)c1 170142635 RQNVGEVTFUCDPY-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccs1 170160125 QUZYSAVZBJYBEK-PEBXRYMYSA-N 447.512 4.863 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccnc1 170183966 SRYALARMUOVDBI-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)o1 170307639 OYFKSDWFKUTIQI-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1sccc1C 170314973 BXQWILLUPYFFPA-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE N#C[C@@H](NC(=O)/C=C\c1ccc(OC(F)F)cc1OC(F)F)c1ccc(F)cc1F 208894763 LFCVMMNFKGSGQV-ANPLFTBSSA-N 430.304 4.562 30 10 IJEE Cc1cc(C)cc(NC(=S)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)c1 254498362 WNKJDXNVJNVUTE-UHFFFAOYSA-N 432.524 4.680 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cnn(-c2ccccc2)n1 302984633 WABUOPPUNJMMRP-UHFFFAOYSA-N 438.944 4.570 30 10 IJEE C=C(COC(C)C)[C@@H](NCC)c1cc(Br)ccc1I 387626459 SDNIFVHCQLUCET-OAHLLOKOSA-N 438.147 4.686 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cncc(Br)c1)NCCC 406470786 LBKBXGZYMPZNPB-ZWKOTPCHSA-N 426.399 4.614 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCC 406890868 GLLMBAWJFWLVGK-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C#CCN(C[C@@H](NCCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 407115213 HJZBZUFHUVXFJO-OAHLLOKOSA-N 431.321 4.638 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 429688638 XOAKLJKMMARZOT-UHFFFAOYSA-N 443.866 4.852 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 460775716 TXLYCSIWMRLTPD-UHFFFAOYSA-N 439.579 4.588 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 460957159 KACZIBBWGPTXPE-UHFFFAOYSA-N 448.621 4.896 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 475556217 PLMSPFXNTMBJEZ-QGZVFWFLSA-N 429.586 4.672 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 508724426 RPJLIRVZUHDOIJ-LEWJYISDSA-N 448.542 4.712 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)cc1OC 526517673 VDPFQYMRMJLUGE-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccnc2)c1OC 526522308 PWHQZAAUWJVSMF-NRFANRHFSA-N 447.878 4.681 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2ccccc2C(F)(F)F)c1 526826010 JIGYPTDLCZSVBA-MYKKPKGFSA-N 434.443 4.566 30 10 IJEE CCOc1ccc2ccccc2c1/C=N\n1cnnc1SCc1ccc([N+](=O)[O-])cc1 526828532 KLPKQIXCKUMGRY-CFRMEGHHSA-N 433.493 4.913 30 10 IJEE N#Cc1cccc(CC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1 531151394 WVCJIDAUQCSNCC-UHFFFAOYSA-N 437.421 4.688 30 10 IJEE CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1=O 609068020 FSKWYTJONAPYQS-GOEBONIOSA-N 427.451 4.665 30 10 IJEE C=C([C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(F)(F)F 693673928 XAPUGUUSKBUWEY-UGKGYDQZSA-N 441.538 4.643 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 741546507 JDOLMANDBHKHCU-TZIWHRDSSA-N 441.572 4.523 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)ccc1Cl 745238468 GNAUZGSNYOYYDE-DLBZAZTESA-N 432.854 4.520 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2Cc2ccccc2OC)c1=S 746714588 VOBFDUMRSRLEPX-QFIPXVFZSA-N 434.609 4.864 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1OC 771045472 BBGZLJSYMHMZFB-IBGZPJMESA-N 446.544 4.717 30 10 IJEE N#CCc1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)c1 771668876 RXZCJLOJTZXHBR-QHCPKHFHSA-N 436.458 4.730 30 10 IJEE N#C[C@@H](COC(=O)CCc1cc2ccccc2nc1O)Cc1cccc(Br)c1 774401144 VAKGNSLQXJPDKH-INIZCTEOSA-N 439.309 4.561 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(Nc2cccc(Br)c2)CC1 807467182 MWEZJURGWUZJNZ-OAQYLSRUSA-N 440.385 4.670 30 10 IJEE COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 863939503 AXUNMKJUPIIRII-ZWKOTPCHSA-N 428.488 4.657 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)n[nH]1)c1ccccc1 1084061218 LLMLGBPGYYSXGZ-UHFFFAOYSA-N 432.912 4.554 30 10 IJEE COC(=O)Cc1cccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1 1130125778 CNYAJSQDCGMPRR-UHFFFAOYSA-N 437.311 4.944 30 10 IJEE C#CCN(CC(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1)C(=O)OC(C)(C)C 1136578151 BSMRVOMGMGTBQF-OAQYLSRUSA-N 432.992 4.818 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)OCC 1140925169 ASSGQERNXOCCRA-VQTJNVASSA-N 446.341 4.583 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc4ccc(N(CC)CC)cc4s3)n[nH]2)c1C 1141773333 WPXVDXDFCQQURP-UHFFFAOYSA-N 449.584 4.784 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1 1152562510 NNXRTJNKVORDGM-UHFFFAOYSA-N 449.494 4.522 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 1154367403 WLVSDUGLQLGTDV-NRFANRHFSA-N 426.944 4.729 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)nnc1-c1cccc(OC)c1 1165782262 SNBSJYYCSSFQDC-LJQANCHMSA-N 440.956 4.691 30 10 IJEE COc1ccc2c(c1)[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CCO2 1198665969 GRFNDEAGZPYIPU-XMMPIXPASA-N 443.503 4.986 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3cccc(Cl)c3F)CCCC2)cc1Cl 1211518056 HDWRDYNVMDQCEZ-UHFFFAOYSA-N 427.328 4.794 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1218529302 JQBWFECHZXCYOM-UHFFFAOYSA-N 436.313 4.727 30 10 IJEE COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccc(Br)c(C#N)n1 1219696542 FOGLTZQFXZBVSM-CXAGYDPISA-N 429.318 4.729 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 1229990601 WVLZGDSCLSELFV-GMAHTHKFSA-N 443.385 4.630 30 10 IJEE C=CCC1(CNC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)CCCC1 1230332780 GLVTUCWWHYWEGS-AWEZNQCLSA-N 433.350 4.996 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1 1230625041 NDMMJVLOPVESQF-RXVVDRJESA-N 431.374 4.607 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 1264834874 WNSWUIRCSLIBRL-CVDCTZTESA-N 434.337 4.862 30 10 IJEE C#CCN(C(=O)c1cc(C)oc1C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1265210264 OAXIDDWPIODWPP-HNNXBMFYSA-N 442.231 4.969 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1ccc(Br)cc1 1275462963 HEOZDVSUARKJIJ-QGZVFWFLSA-N 429.314 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC[C@](C)(CC)O1 1286278381 NOMNJNUUODBMKL-GPZXFYDGSA-N 430.980 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)[C@@H](C)CC 1286423625 NLAAUOIUBFPPBC-KSFYIVLOSA-N 433.383 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(F)F)C1 1286566665 SMTFPRNYPUFFPQ-SJBKTWHCSA-N 430.543 4.526 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)c1cccs1 1286592335 ZROJMASIYCIWMM-QGZVFWFLSA-N 448.596 4.900 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1286631995 CTQFUYJQBHOCTK-UHFFFAOYSA-N 445.329 4.698 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)CN(C)C)CC1 1286640105 FUPKVCUIRSZOKZ-UHFFFAOYSA-N 446.437 4.760 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cccc(F)c2[C@@H]1C 1286677694 HZCCFORUVLFMIO-JLMWRMLUSA-N 442.579 4.867 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2ccc(Cl)nc2C1 1286707536 FJGQLRCVUKORGN-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCc2scnc2C)C1 1286801127 WLUJXLVLSNPBLT-LEWJYISDSA-N 437.613 4.609 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccccc1 1289587021 PUCFFNKAZKCRAA-NGOKVRLYSA-N 432.954 4.509 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCC2)CC1 1300348699 PEYMBRREYDYBHF-UHFFFAOYSA-N 432.399 4.730 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C)CCCC1 1300521296 NRLLAJSRUZZXRN-UHFFFAOYSA-N 425.374 4.669 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C)cc(OC)c1 1300611456 FBICEUMYERMOPE-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H]1CC 1300664405 AQMHZGPBKJPGFL-QZTJIDSGSA-N 445.405 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1300809062 RSOYGUMQZCLHJI-LIKDZFNVSA-N 437.607 4.511 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(F)cc1)C1CC1 1300843626 HCVMJSZKAKDZSX-GOSISDBHSA-N 435.341 4.736 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1300990339 JKFKBESEWLOPFY-QFIPXVFZSA-N 445.007 4.510 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1301176324 WRMBODBAEKOQQK-ZWKOTPCHSA-N 446.437 4.983 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301203266 WAZBFAHBXNOIJJ-WMLDXEAASA-N 444.885 4.805 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC=C(COC)CC1 1301240582 CWHCXXLDEYAKIO-GOSISDBHSA-N 442.629 4.507 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCc1scnc1C 1301333833 BXJGNBUTXLKKBC-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)C(=O)OC 1303688202 VSASGSQBTCSRFO-GOSISDBHSA-N 445.972 4.736 30 10 IJEE CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 1310763523 BGJSUUDKQCAFNL-UHFFFAOYSA-N 430.549 4.504 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)cc21 1311252075 KIAUFIWVDQZZRM-QGZVFWFLSA-N 445.445 4.521 30 10 IJEE C=CCCCCNC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 1312541615 KRYLTMWKMWUMEQ-UHFFFAOYSA-N 434.300 4.656 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)c1 1352428603 BATBWWARMOFHOB-LJQANCHMSA-N 432.520 4.763 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)nnc1-c1ccco1 1354583250 CSWOLOHXXTUYQJ-FQEVSTJZSA-N 438.597 4.994 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 1356042737 NALOWRRQVCPMJO-UHFFFAOYSA-N 429.307 4.656 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CCCN1C(=O)OC(C)(C)C 1356506347 DTHRYJDMLZAFOC-JOCHJYFZSA-N 447.507 4.820 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1358922056 RUXNLRZUQKWRFZ-UXHICEINSA-N 434.613 4.859 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@H]1C 1358972416 DEOUUCMCLLRWEC-VQIMIIECSA-N 425.374 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)c1nc(C)cs1 1358988384 MOVHOFQMELNDFV-KRWDZBQOSA-N 429.549 4.723 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)c1cccs1 1359066389 ZBHUEWGZHDFKGH-YADHBBJMSA-N 426.973 4.560 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359101426 OCIAQGHYUYHMLT-WIYYLYMNSA-N 434.506 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359184992 HUDQKBAHSYHNCM-QAPCUYQASA-N 433.394 4.517 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(C)OCCc2sccc21 1359244869 UAMZCBXLLOXDSL-JOCHJYFZSA-N 444.988 4.682 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1359246624 HAEBXWQCQYAZCS-DOTOQJQBSA-N 431.378 4.535 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1359253058 QWUYSMAFXMPEFJ-OAQYLSRUSA-N 437.632 4.831 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)c1 1361104615 VOQHKYYNKWHYLW-IBGZPJMESA-N 430.529 4.569 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)CCCN1C(=O)OC(C)(C)C 1435119703 ORBAOUAHHROPNE-QHCPKHFHSA-N 440.569 4.553 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1nccs1 1443407371 MBJYTKDPPDNSJZ-JOCHJYFZSA-N 447.560 4.979 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(OC)cc1OC1CCCC1 1445236173 DDOLJIOKAGLSQO-UHFFFAOYSA-N 447.535 4.697 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC 1450329487 REHBUMCZWCAAQS-VQTJNVASSA-N 444.572 4.568 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)c2)nc1 1456772734 AJYALNHXNQYGDA-UHFFFAOYSA-N 449.470 4.574 30 10 IJEE C=CC[C@@H](NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1O)c1ccncc1 1457666426 UHCJEBCGLCETKB-OAHLLOKOSA-N 437.714 4.980 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2cccc(-c3ccncc3)c2)nnc1-c1ccco1 1460292831 PYYUEIHKHZOOMA-UHFFFAOYSA-N 432.505 4.874 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1sc(C(C)(C)OC)nc1C 1460782092 WXZKFAVTSLTBHW-UHFFFAOYSA-N 425.348 4.913 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1 1461557265 FSDMDCAVSKBGKB-GOSISDBHSA-N 441.494 4.758 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1463781611 AEKLPZYHGXGYSD-SANMLTNESA-N 441.616 4.981 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2cc(F)ccc2C)s1 1467681142 FKLGQBGEDOSTGK-INIZCTEOSA-N 434.537 4.841 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)cc2n1 1472037480 VBBUSPSQCOPQRT-JOCHJYFZSA-N 432.524 4.695 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](c1ccc(SC)cc1)N(C)C 1474157653 NJXTTWWNHXWCCR-FQEVSTJZSA-N 433.415 4.576 30 10 IJEE C=CC1CCN(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)CC1 1474967167 HYXQXTXDTCABJQ-UHFFFAOYSA-N 440.334 4.967 30 10 IJEE C[C@H]1Cc2cc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc2O1 1476010829 FGMLGNRFEDUIOK-SFHVURJKSA-N 427.504 4.977 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccccc1 1476441264 GWCPSOFLUNRPGM-TZIWHRDSSA-N 426.442 4.766 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@H](F)C2)cc1 1502850760 GPIQLGAZIDZVLZ-MKXGPGLRSA-N 429.540 4.551 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507577846 VJYZYVKQZADYNR-GOSISDBHSA-N 438.963 4.902 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(CC)CCCC2)CC1 1507733369 WSDLXGKUJKBCNG-UHFFFAOYSA-N 437.657 4.604 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1507754121 SMECCBZHWCSNCO-INIZCTEOSA-N 447.446 4.729 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)C)C1 1507807434 PYZYDGGXSTYLKJ-FBLLAGFSSA-N 438.616 4.937 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1507877569 DAISMEMGUDQJNE-KRWDZBQOSA-N 432.515 4.944 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1507902665 ZYSAUNYMTJDOJC-UHFFFAOYSA-N 443.473 4.613 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1507936312 AYPPPAHUDIUZKN-JOCHJYFZSA-N 437.588 4.509 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(C)C)CC1)C1CC1 1507995038 BLLMJKASINWDCO-HDICACEKSA-N 429.609 4.640 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCC[C@@H]1C 1508000786 DKJVBYAIPNZDJC-UUOWRZLLSA-N 437.975 4.737 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCc1cccs1 1508060961 HUIGRYWRGUNHHB-UHFFFAOYSA-N 445.633 4.709 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)F)C1 1508152531 NDMPYDJAFIZZTJ-CVEARBPZSA-N 440.535 4.958 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1512768558 AREVWZDOXUUQRO-FKRCVWNDSA-N 439.604 4.665 30 10 IJEE CCC[C@@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1)OC 1514322602 AJSTUJXUSVQYBD-FPOVZHCZSA-N 425.577 4.590 30 10 IJEE CC[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cc(F)cc(Br)c1 1517061183 COZUPBDOSHABGQ-KRWDZBQOSA-N 428.261 4.996 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1519964211 LXUALIYOZSBYQL-LJQANCHMSA-N 432.442 4.904 30 10 IJEE C=CCC1(CNC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)CCCC1 1521316419 NXIYPBPGFDBPOD-UHFFFAOYSA-N 432.630 4.590 30 10 IJEE Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 1527650405 FQRFCJBUFNQYCE-UHFFFAOYSA-N 443.315 4.896 30 10 IJEE CCOc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 1528068286 CTOPIOQFCHJDSO-UHFFFAOYSA-N 449.894 4.771 30 10 IJEE N#Cc1cccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1Br 1529427325 CHTQCHMQXYIUSZ-SFHVURJKSA-N 448.729 4.542 30 10 IJEE C=CC1(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CCCCC1 1529563089 IPQKXFLSDHUQPR-UHFFFAOYSA-N 426.582 4.972 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)C[C@H](n2cccn2)C(F)(F)F)cc1 1534460434 AWXLHAGHBKNUMK-FQEVSTJZSA-N 428.414 4.660 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(Br)ccc1N(C)CCN(C)C)c1ccccc1 1537042315 LVHHFOJTXHJISB-QGZVFWFLSA-N 430.390 4.745 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)c1ccccc1 1537452411 AYPYLPZSGFQERQ-WJOKGBTCSA-N 440.565 4.713 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)nn1 1538125645 QPINZIOQZHOQSN-UHFFFAOYSA-N 431.265 4.800 30 10 IJEE Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n1C 1538490172 GWMAHUUVWYVWSN-AWEZNQCLSA-N 437.341 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1538984007 ZZNABXXYICFCRS-MTHXSQLBSA-N 426.630 4.793 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1539053612 WGRVZVPBBQJBPC-PXNSSMCTSA-N 445.405 4.936 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1539124777 RFMPVYVAUOELBY-UHFFFAOYSA-N 448.386 4.743 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1539155515 WQOASNRJJDAJPX-MJGOQNOKSA-N 445.405 4.618 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)C(C)C)CC1 1539436429 RPVNCNIZJUCSSH-UHFFFAOYSA-N 434.415 4.689 30 10 IJEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1539534060 XWXGSNGVHDMCQR-JOCHJYFZSA-N 436.581 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN(CC)CC 1539540761 SZOWIFNZXCLXEC-RUZDIDTESA-N 439.673 5.000 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C1CC1 1539620498 LROKJYYHXBBPSS-QFBILLFUSA-N 431.378 4.678 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1539716308 WBIHFYKDOIJTMR-UHFFFAOYSA-N 430.339 4.698 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1539811081 ANWHHZHAZUKCEE-OHZJNBGDSA-N 435.018 4.618 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OC(C)C)CC1)c1ccccc1 1539940625 TXFYGKLIEOFQEI-DHIUTWEWSA-N 438.616 4.926 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1Cc1cccc(Br)n1 1540127931 XCPCXVGNQVPHIC-UHFFFAOYSA-N 426.362 4.800 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CSCCS1 1540135960 DRNIDXMPPHUZRZ-ICSRJNTNSA-N 448.633 4.700 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1ccc(C)cc1C 1540187384 OYCOCYZHEXWSNK-QHCPKHFHSA-N 434.584 4.860 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](SC)C1 1540880864 SDLMUAPFENOJIV-IRLDBZIGSA-N 442.629 4.855 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](CC(C)C)C1 1540912938 GCJNBIMVLRYEKX-FQEVSTJZSA-N 436.629 4.922 30 10 IJEE C=C[C@@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)c1ccccc1 1541025478 ZZUNKBYBIGVTKS-OAQYLSRUSA-N 447.560 4.937 30 10 IJEE CCN(CC)Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)cc1 1547477401 FNNPYPBAIKTVPG-AREMUKBSSA-N 436.648 4.887 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccc(Cl)cc1F 1556559241 BLPMPDTZVCDVAU-JOCHJYFZSA-N 433.870 4.810 30 10 IJEE Cc1cccc([C@@H](NCCC(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)OC(C)(C)C)c1 1560191108 AYESKTZDJXDECJ-OAQYLSRUSA-N 427.932 4.521 30 10 IJEE C#CCOc1ccccc1OS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 1561236436 DHGXKJIFNSQDAE-UHFFFAOYSA-N 439.436 4.609 30 10 IJEE C#CCCCNC(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1568648805 BIXFQQMIJLWKEU-UHFFFAOYSA-N 432.564 4.860 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 1584641707 JIYLYUCXPNCODX-MRXNPFEDSA-N 443.341 4.622 30 10 IJEE C=CC1(CC(=O)NC(C)(C)c2ccc(OCC(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1585482883 XTMJHOCQLMEPDF-UHFFFAOYSA-N 430.589 4.886 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(OC(C)(C)C)nc1 1587585769 GEQITRZTIMHMAI-QGZVFWFLSA-N 429.524 4.770 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCCCCC1 1589177713 LREKVSKXQTXKRI-JOCHJYFZSA-N 430.955 4.815 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nc(C(F)(F)F)cs2)CC1 1594202425 PKCUDDITEJPVMZ-UHFFFAOYSA-N 449.502 4.880 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1594472750 IFNILAAEQRFALM-UHFFFAOYSA-N 448.615 4.728 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1594615617 KTZLNXNDFNTKKP-RTWAWAEBSA-N 432.515 4.732 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(Cl)ccn1 1594627174 SDRCSEYRMQSWGM-OAQYLSRUSA-N 439.947 4.832 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)(CC)C1 1594733351 RKRQLIZUZLWTDV-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccccn1 1594793375 LDEPODNXBBIYGB-UHFFFAOYSA-N 437.613 4.900 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1594997194 ACYVNOZDKZHOCJ-OFNKIYASSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C)n1 1595094062 LUBYJYLXCFXXTQ-DEOSSOPVSA-N 442.567 4.530 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1595127008 BEQDWDFGKQEPQA-QGZVFWFLSA-N 443.567 4.648 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1csc(CC)n1 1595267445 XIFBFYCNPVFVJD-UHFFFAOYSA-N 448.596 4.508 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(C)C)C1 1595844917 JZIREVHQADCPMC-OAHLLOKOSA-N 438.439 4.827 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)C1 1607448185 DVFVGYNHLGIZIF-XPNTWCBSSA-N 434.632 4.810 30 10 IJEE C#C[C@H](NC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(Br)cc1 1623803147 VQGXNKJMHFPIJA-AWEZNQCLSA-N 444.073 4.986 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCCC23CC3)nnc1-c1ccc(Cl)cc1Cl 1623941770 KLUFFHOZNONWRK-INIZCTEOSA-N 437.396 4.979 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 1625576454 GRTDUMAGBKEVNW-NFBKMPQASA-N 443.632 4.784 30 10 IJEE CCCCn1nc(C)c(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)n[nH]2)c1C 1627025579 FHUVBNIGGNXKQK-UHFFFAOYSA-N 432.572 4.860 30 10 IJEE C[C@@H](CC#N)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1628808066 CEXGJRIHYKOYIZ-KRWDZBQOSA-N 433.581 4.742 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]2(C)c2ccc(C(F)(F)F)cc2)c1 1632234533 ODCBBQDGFVGQCO-QFIPXVFZSA-N 449.494 4.654 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1F)c1ccc(C(F)(F)F)cc1 1633471871 WAPGHRHDOPAERL-UXHICEINSA-N 449.448 4.735 30 10 IJEE C=CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1635397752 QMHOGZDPQADLNM-XWMMGPHDSA-N 428.532 4.787 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1 1637233322 XUGLEYTWUKLWGV-FQEVSTJZSA-N 431.577 4.601 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[C@@H](C#N)C1)c1cccc(Cl)c1Cl 1637736163 CAQWLPDCXZASHG-GUYCJALGSA-N 426.344 4.664 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)c(Br)c(F)c3)n[nH]2)c1C 1637946637 KGTWDWJHSIRRHJ-UHFFFAOYSA-N 432.297 4.538 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Br)cc1OC 1638347477 GZIVNALGGIJNKM-GOSISDBHSA-N 430.342 4.870 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C 1638664321 KNHQLNJENIWMGU-NRFANRHFSA-N 426.513 4.650 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)c3cnc(-c4ccc(C(F)(F)F)cc4)s3)n[nH]2)c1 1639135231 DSYLIQMQOPQQGH-UHFFFAOYSA-N 440.410 4.738 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2sc3c(c2c1=O)CCC3 1640684030 OSRXKEXWVXMFFH-JYYAWHABSA-N 445.654 4.554 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C\C(=O)OC)cc2)nnc1-c1ccccc1F 1640706676 VXMQQDYRFNGWDH-RAXLEYEMSA-N 439.512 4.628 30 10 IJEE C=CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)OCC 1642726602 SLQQOIHQLXTYAU-HXUWFJFHSA-N 435.351 4.594 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1 1645146186 KIPKKWAQTFVJMK-LJQANCHMSA-N 438.609 4.597 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H]1CCCCN(Cc2ccccc2)C1 1651171024 KBBQPCDHHTZMDE-OAQYLSRUSA-N 441.413 4.853 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 1652424028 OCGDXNRHDKIJJX-LJQANCHMSA-N 446.364 4.604 30 10 IJEE C#Cc1ccc(NC(=O)CCN(C)[C@@H]2CCSc3ccc(Br)cc32)cc1 1652522458 BNMUMCHHNHEYSR-LJQANCHMSA-N 429.383 4.928 30 10 IJEE N#Cc1c(Oc2cccc(Oc3ccnc(C(N)=O)c3)c2)nc2c(c1C#N)CCCCCC2 1655293162 CTUOKNCFAREYOO-UHFFFAOYSA-N 439.475 4.562 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccnc(O[C@@H](C)CC(C)C)c1 1656509542 WWTHKIAJBODBDZ-KRWDZBQOSA-N 431.374 4.959 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1ccc(N2CCNC2=O)cc1 1658586953 DZBHMHKKYZSQAA-UHFFFAOYSA-N 441.491 4.510 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Cl)cc1I)c1ccc(F)cc1 1659757130 ARJDTVHVVXCWKE-AWEZNQCLSA-N 428.632 4.580 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 1660840136 HJDALNRAQYFWRV-JPYJTQIMSA-N 447.535 4.618 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](Cc2ccccc2)c2cccs2)c(C#N)cn1CC 1662770630 GUDVWGVYUXFNRO-GOSISDBHSA-N 436.537 4.723 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC=C(c2cccc(Br)c2)CC1)C(C)C 1665701282 KFNYOXPUNHNJPD-JOCHJYFZSA-N 446.433 4.946 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 1668740998 BFULDSSHEFWEQL-HZPDHXFCSA-N 447.457 4.975 30 10 IJEE COC(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1OC 1669489759 HZHWOAADROWASR-UHFFFAOYSA-N 449.438 4.607 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 1670754101 CMLZUNSRVNEBFR-INIZCTEOSA-N 446.857 4.547 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1Br 1671214247 CCZDZNOJAXEUGY-OAHLLOKOSA-N 433.737 4.765 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)Nc3cc(CCc4ccccc4)[nH]n3)n2)c(Cl)c1 1675687978 BPHWXYGGQSGXCS-UHFFFAOYSA-N 431.887 4.550 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1cc(F)c(Br)cc1F 1679223662 XQNPJSIMWWIUME-LBPRGKRZSA-N 425.273 4.853 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(C(F)(F)F)cc1 1679968283 NLKQPNNBAMJLKN-PWRODBHTSA-N 439.522 4.655 30 10 IJEE C#C[C@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 1683497310 CESLYCMEEOZHEC-VWLOTQADSA-N 427.523 4.617 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(Br)cc1 1686274271 GGMWJOLRBYRBPM-CABZTGNLSA-N 432.265 4.659 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1cc(C(F)(F)F)ccn1 1689845907 CKQCKGFMZMFOCM-OAHLLOKOSA-N 438.457 4.541 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1689888777 QKMLCDDMAAWFIX-PKTZIBPZSA-N 440.563 4.648 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1689921165 WWHIPDDJHFEZAR-QAPCUYQASA-N 431.378 4.754 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nc(C(C)(C)C)cs1 1690001803 SNIQPHHTEGWEON-NRFANRHFSA-N 445.636 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(F)cc1 1690006551 SKHPGRUEKCSZKN-GOSISDBHSA-N 432.568 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](CCC)OC 1690192549 BEYSTNWIBAKNPG-KPDCDPCYSA-N 430.980 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1690239068 QWXMCFYAUNDICW-CIWUYKSXSA-N 445.405 4.781 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1690287680 PDQQPUUAAMGMRV-NJDAHSKKSA-N 443.636 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2CCc2cc(Br)ccc2F)CC1 1690371188 ZFLCZSMFJFZFSR-UHFFFAOYSA-N 442.336 4.641 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2csc(COC)n2)CC1 1690399394 VVRNRLWMUDAVKH-NRFANRHFSA-N 437.613 4.874 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1690476876 SHXAXXBLZYQMTF-HNAYVOBHSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1690483163 JWZSDPPIXNNPNM-OAQYLSRUSA-N 440.588 4.846 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1690497177 JLQBUKIQBDJOLF-GOSISDBHSA-N 443.979 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN1CCCC(C)(C)C1 1690572078 RSPNOSCWXLQUNN-JOCHJYFZSA-N 441.595 4.583 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCc2cc(F)ccc2C1)C(C)C 1690581051 JYXAQYDJEUFISV-QHCPKHFHSA-N 425.596 4.802 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@H](C[C@@H]4CCOC4)C3)nnc2C(C)(C)C)cc1 1690681098 GAUHFAFSSOHARO-YADHBBJMSA-N 438.616 4.832 30 10 IJEE CCOCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1696216401 CUBDNPKJOSINGM-UUOWRZLLSA-N 443.567 4.750 30 10 IJEE C#CCCCCn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705521582 GDUTWMDJWQXADS-NJYVYQBISA-N 441.620 4.645 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1705608735 CBFHMSPLKJOJSA-LJQANCHMSA-N 445.995 4.607 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1705659067 KMELCXIWQOCSRO-UHFFFAOYSA-N 445.514 4.670 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(OC)CCC(C)CC1 1705678955 WAKFGAVKUGNZBZ-MWGWTOJJSA-N 442.648 4.784 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(F)c1 1705695705 JYKPIUFGBCYZMK-GHTZIAJQSA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(F)(F)F 1705712409 SQDZWERHJVVFQA-UHFFFAOYSA-N 433.272 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(C)CC1 1705717727 QGTSDAAKJMZERK-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1705784598 BNGAUNSBPMMWIJ-XXBNENTESA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705792471 UIVNJRKNEYZCFX-YTFSRNRJSA-N 443.680 4.865 30 10 IJEE C=CCCCCn1c(N2Cc3ccccc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705809429 QXOFGWSGGJPZIA-OYRHEFFESA-N 437.588 4.925 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1OCCC1(C)C)C1CC1 1705851200 XTWWESPWMIHWKG-QFIPXVFZSA-N 440.588 4.711 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCSCC(F)(F)F)C1CC1 1705854495 VOWYPGMVQCGPHG-UHFFFAOYSA-N 430.927 4.973 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1C[C@H]1CCN(CC(F)(F)F)C1 1705863700 BUGGDUUTAMBOEI-IRXDYDNUSA-N 441.567 4.930 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(Cl)nc1 1705869992 LIOGZVPOOSCNNN-MRXNPFEDSA-N 427.911 4.832 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC(N3CCCCC3)CC2)cc1 1705912033 XGZDJSDYVUYEGA-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCCC[C@@H]1C 1722283049 QDUAJADHTOJFGR-OALUTQOASA-N 444.023 4.720 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1722324576 UQGHLRPPABAKMG-PWRODBHTSA-N 440.563 4.614 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1722344442 JPFPXLJSZMAOFX-MRXNPFEDSA-N 433.503 4.607 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCC 1722406703 IRTKIBKIMZXLIL-CTNGQTDRSA-N 444.023 4.796 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCCCCC[C@H]21 1722465641 QNHNQYCHZFTFHX-FCHUYYIVSA-N 438.641 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NC1CCCCC1 1722470876 YKHYXFCQQGJQHN-HHHXNRCGSA-N 447.627 4.684 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1722496255 WIROZKLAGATQAJ-YHBROIRLSA-N 426.630 4.819 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC(F)(F)C1 1722501444 YEROHVBRRLZOFS-SFHVURJKSA-N 431.531 4.985 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](OCc2ccccc2)C1 1722510869 XJHQFMUJMHHKJH-GPXNEJASSA-N 438.616 4.643 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)CC1COC(C)(C)OC1 1722524550 AJMVOWJCMWZMRS-UHFFFAOYSA-N 442.604 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccs2)CC1 1722590294 BYLWDVFDNUAOFK-UHFFFAOYSA-N 436.629 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722592480 VZWIQJMCUPOURQ-GOSISDBHSA-N 428.581 4.622 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1722605431 HKRFOBVJISHGJE-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1722607479 VEMBULMXNCDYET-LJQANCHMSA-N 445.405 4.927 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@](C)(CC)O1 1722673071 HREYDCHGJQUHOQ-NVQXNPDNSA-N 433.600 4.866 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)c1ccccc1 1722686156 QTDDHKSAZKJOII-IBGZPJMESA-N 439.604 4.819 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)C[C@H](C)c2nccs2)nnc1C(C)(C)C 1722708511 WQZPLGGPCUNOFY-KRWDZBQOSA-N 425.602 4.885 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740588146 JWWHJEIJBBGDHH-HXUWFJFHSA-N 430.581 4.633 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccc(Cl)cc1 1740597356 SHQQXWCFQCWZKN-NHCUHLMSSA-N 445.007 4.779 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC(CC)(CC)SC 1740678343 KBZBOQDZGNXZOW-HXUWFJFHSA-N 430.593 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CC=CCC1 1740753484 KQEXCDWYMKBZLO-CBQOVEMMSA-N 437.544 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCS[C@@H](C)C1 1740754361 RUHUOBGCRKSRRL-PDGJWGCVSA-N 426.630 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cccs1 1740762377 CXMLYLNNSLDMDX-CVDCTZTESA-N 438.597 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1740774859 CZAMNXUDWYIMPS-IBGZPJMESA-N 425.621 4.846 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1Cc2cccc(Br)c2C1 1740789529 NIIOQHGWYDAEFJ-UHFFFAOYSA-N 443.345 4.722 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740800548 FWJJWXRTCWGTGQ-PWIZWCRZSA-N 427.980 4.915 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@@H]2CCC[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740816017 RQOZGJPTBBKDLB-NRSFXHEJSA-N 438.016 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1740849174 AIDZZBDPOIKWFC-UHFFFAOYSA-N 439.995 4.558 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)c1ccccc1 1740853457 DHWHFESKWICBSH-DHIUTWEWSA-N 444.583 4.505 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1740855767 OIONXBPCQXNHAS-RPWUZVMVSA-N 445.611 4.875 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(C)C)CC1 1740859612 ODLVYNRDZLHYAV-UHFFFAOYSA-N 430.618 4.577 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](SC)C(C)(C)C)C1CC1 1740908402 XCDXJDDVRSHXIF-INIZCTEOSA-N 438.439 4.968 30 10 IJEE C=CCn1c(N(CC)Cc2ccccc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950010 GJAHSTSLFUQLQC-BGYRXZFFSA-N 425.577 4.570 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1)C1CCCCC1 1747547199 BCJKCCIEXAYTII-QHCPKHFHSA-N 434.632 4.954 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CCSC1 1749139499 GFMBGHUTVMHBMQ-KNKQGSTJSA-N 444.670 4.802 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1749175324 DUPWOYASSJRMIW-QXAKKESOSA-N 426.561 4.562 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1749343477 LECUNYOTMVBVFZ-GOSISDBHSA-N 442.913 4.892 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccncc2Cl)CC1 1749346880 CZAGFSJJZDQPGO-UHFFFAOYSA-N 437.975 4.919 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1749391082 QBDMKOMCIXXXSG-OAQYLSRUSA-N 431.378 4.681 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C(=O)OC)CC1 1749391179 NCZDQFHROVXDLW-QGZVFWFLSA-N 446.979 4.817 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)C)CC1 1749447503 GCVVMSPQMQMLPO-UHFFFAOYSA-N 439.648 4.802 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2Cc2ccc(CC)s2)c1 1760128350 GEMIQIZXNWVWMZ-UHFFFAOYSA-N 447.608 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)c1c(C)noc1C 1760212628 YZPHUUVRIPPWJE-CVDCTZTESA-N 429.568 4.691 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CC1(OC)CCC(C)CC1 1760213370 ZTHQZVJMAOPHRN-UHFFFAOYSA-N 430.552 4.750 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)c1ccccn1 1760227194 XZWGHZWNELCJLD-SFHVURJKSA-N 433.625 4.964 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC[C@H]1C[C@H](F)C1 1760291775 BUDJBMHQYQOILS-RQBNJVACSA-N 440.563 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](C)c1c(C)noc1C 1760298816 WFHFRECWLFDXLH-AVRWGWEMSA-N 433.556 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cccc(OC(F)F)c2)nnc1C(C)(C)C 1760327413 GWQGOOMLOHWXKJ-MJGOQNOKSA-N 434.531 4.795 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1760346451 AZQZSIVXJHRZTL-PMACEKPBSA-N 443.586 4.814 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@H](C)C1 1760350511 KROZVPKWHIYFIP-OAQYLSRUSA-N 449.599 4.561 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C)OC)CC1 1760398966 UBRCZZTZDCYPKW-ZDUSSCGKSA-N 439.785 4.798 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OCC2CC2)C1 1760408666 DWUYSSPTIYRUJZ-NRFANRHFSA-N 439.560 4.851 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1760420720 UUORUVJBYKBXMP-JTHBVZDNSA-N 437.632 4.579 30 10 IJEE C=CCCCCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1760430195 BLFWGGFPXDTVRP-LJQANCHMSA-N 434.506 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(OC2CCCCC2)c1 1760460297 YTKVLTASMUPJKH-UHFFFAOYSA-N 428.540 4.594 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CC1CCN(Cc2cccs2)CC1 1760466527 XWJCYVHSYQVGQV-UHFFFAOYSA-N 427.643 4.526 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCCCCC1 1760466623 CARRPGVSKIHFTK-UHFFFAOYSA-N 426.605 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cc(C(C)(C)C)no1 1760485608 JWXCLDHLGHCBGY-UHFFFAOYSA-N 436.585 4.872 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(C)CC1)C(C)C 1760490348 VEIDRAVFWKJHQT-YADHBBJMSA-N 429.653 4.845 30 10 IJEE C=CCn1c(N(C)Cc2ccccc2Cl)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513407 WYJOQVIEWMQBRM-CALCHBBNSA-N 431.968 4.525 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC(CC)(CC)C1 1760534190 SLCRLIRQLISLJQ-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760559461 HRHGIOWQCACNSF-QZTJIDSGSA-N 449.615 4.872 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)OCCc3sccc32)cc1 1762555286 GLLIQXMTJWLDKZ-OSPHWJPCSA-N 435.597 4.795 30 10 IJEE CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 1764219588 GBSKVEKNLIELLU-JKSUJKDBSA-N 441.377 4.968 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)C[C@@H]2CC)cn1 1764607502 AIJHUXZSJLZCBR-GCJKJVERSA-N 430.556 4.674 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@H](F)C1 1771100747 ACGBZMIFBOJDRV-PZJWPPBQSA-N 437.519 4.509 30 10 IJEE O=C(O)c1cccc(N=C2S/C(=C\c3ccc(O)c(O)c3)C(=O)N2c2ccccc2)c1 1772737414 QVZRZMXYNQGUHZ-HTHTTXKWSA-N 432.457 4.605 30 10 IJEE N#Cc1ccc(NC(=O)c2nn(-c3ccccn3)c(-c3ccc([N+](=O)[O-])cc3)c2Cl)cc1 1859415045 XMQGUQPEJKXCDS-UHFFFAOYSA-N 444.838 4.620 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)Cc4ccccc4F)CC3)cc2)c1 1860684548 FYNHDSCMMNJUCE-UHFFFAOYSA-N 440.474 4.775 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2[nH]1 1861386324 APKSYPHJERQWGS-QHCPKHFHSA-N 435.568 4.691 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862413543 GDGRAIKHOVLDIK-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446304 PCFRHHNOFRXTIM-GHTZIAJQSA-N 436.895 4.579 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2cccnc2)cc1 1862456470 SDLBANZJWKENMB-NRFANRHFSA-N 438.405 4.586 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497716 RCUIQLYQWWTCHO-IBGZPJMESA-N 426.856 4.629 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc(Cl)c1O 1862513046 XYTHYKAUCIGWMP-LJQANCHMSA-N 447.890 4.736 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(Cl)c2)cc1 1862535517 DVKDAUFPLRTCHY-FPOVZHCZSA-N 425.912 4.660 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(F)c1 1862544923 NZNUAIHGSSPTDZ-QHCPKHFHSA-N 437.511 4.708 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862584170 RFFGTOZUYBKXGJ-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862662838 LVWAUUJNWYXGLB-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)ccc1O 1862677704 JMGRHQWVQBGWHP-GKIWIXTESA-N 439.483 4.697 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 1862725718 PXJLFKTWJFDZPE-HSZRJFAPSA-N 447.918 4.968 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(F)cccc1Cl 1862757322 XCEIMORMRCMURZ-BBATYDOGSA-N 432.835 4.764 30 10 IJEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(CCCc3ccccc3)C2=O)cc1 1863492868 HFRRJOBSQYRYOG-UHFFFAOYSA-N 446.510 4.864 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868291096 HRZUCNLIYIPLCV-QFIPXVFZSA-N 427.552 4.881 30 10 IJEE CCCCCCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCCCC1 1870368611 UBKDFUQPHZPLDW-UHFFFAOYSA-N 434.621 4.917 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(OC)c2)cn1Cc1ccccc1C 1870606361 GJIOHVZYJFPLLN-UHFFFAOYSA-N 444.575 4.967 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CN(CC)CCCC 1870767241 ZRJODOOCAANORE-UHFFFAOYSA-N 436.552 4.650 30 10 IJEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 1871281770 BDXNQRDQQFFTRK-UHFFFAOYSA-N 427.791 4.686 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1OC 1871363554 YPPAXVDTIHFQBW-PXNMLYILSA-N 443.666 4.596 30 10 IJEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc(O)c2CN1CCC(N2CCCCC2)CC1 1871398886 UVESVRYVKZXYNN-JLPGSUDCSA-N 436.527 4.598 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)OCCOC)c3C)C2=O)c2ccccc21 1871438412 YHNSBXRESZZLMH-NQRZERFFSA-N 449.503 4.543 30 10 IJEE Cc1cc(OC[C@@H]2CCCO2)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871449875 AUAFCTHABWQLRB-YKAVCUTLSA-N 428.868 4.689 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872259043 VZHYEQJBQVJBSR-MRXNPFEDSA-N 438.952 4.690 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc4nc[nH]c4c3)cc2[nH]1 1872807856 ILVJMVHUOMDEDH-UHFFFAOYSA-N 439.475 4.835 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2cccc(OC)c2)C1=O 1873044644 PUGOAWNQIFCUIM-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCN(CC)CC)C1=O 1873121113 OJKYMPXFJZPIIS-UHFFFAOYSA-N 441.660 4.984 30 10 IJEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1cn(C)c2ccccc12 1874313862 RCLOQELZRYHAIS-PCLIKHOPSA-N 433.581 4.948 30 10 IJEE C(=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1)\c1cccnc1 1874315633 BVRQISLPVXAZSY-NLRVBDNBSA-N 429.549 4.859 30 10 IJEE COCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccc1OC(C)C 1874472206 RFCYASBBNWPCHH-ZVHZXABRSA-N 428.533 4.568 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1ccc(Cl)cc1 1874479785 RBQPMKQWWCDOJC-HZHRSRAPSA-N 436.025 4.897 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1F 1874483395 SZOKSRGKGGNIKR-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2C)cc1OCC 1874500054 KAHYOKWNARWKHT-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874529888 GXVPBKZSXIOTDP-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE CCCOc1cccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2C)c1 1874534075 QDKCYMWZZJJMQE-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1Br 1874604659 YYYMOJYROIUYKN-YRNVUSSQSA-N 430.342 4.813 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)N[C@@H](C)c1ccccc1 1874611928 XZKTUQLESLBGSO-LLLGYDHXSA-N 445.515 4.856 30 10 IJEE COC(=O)COc1c(Br)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1874612322 OOEZUDUABSXUAA-VOTSOKGWSA-N 439.689 4.559 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874699860 QDOIGGPJIDOHDM-UXBLZVDNSA-N 439.370 4.997 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 1875112291 BKWUSSWXOLCSAP-NYYWCZLTSA-N 448.387 4.627 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc(Cl)c(F)c2)CC1 1890505635 JTDIHFALQWUBHZ-UHFFFAOYSA-N 430.892 4.922 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1c(Br)cccc1Br 1922057884 QPMPHCZEMGAUKF-GOSISDBHSA-N 440.131 4.587 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@](C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 1939375446 VVJQSODYRRUURT-JIGPKXGUSA-N 433.574 4.777 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1949122199 JOCWSQUSLPZDKE-IERDGZPVSA-N 436.557 4.901 30 10 IJEE C#C[C@@H]1CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1965442875 MFRAGMJYHWVGIN-KYTVRQNUSA-N 444.575 4.858 30 10 IJEE CCN(CC)c1ccc(C=C2CCC(C=NN=Cc3cccnc3)=C2N2CCOCC2)cc1 2040464853 IFUPFELSZJZFLF-UHFFFAOYSA-N 443.595 4.796 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c(F)c1 2060626458 XGBXVHXXFKSDIB-UHFFFAOYSA-N 434.317 4.527 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2066142176 PPHCRQFQKBSSSX-YADHBBJMSA-N 448.568 4.997 30 10 IJEE Cc1ccc([C@@H](n2nc(C)c(C#N)c2I)C2(C)CC2)c(F)c1F 2079848032 BVFZUWHWUCFDAW-OAHLLOKOSA-N 427.236 4.644 30 10 IJEE CC[C@@H](c1ccc(OC)cc1C)n1nc(C2CCC2)c(C#N)c1I 2079881140 LBXSWCQKCYWLIG-KRWDZBQOSA-N 435.309 4.943 30 10 IJEE Nc1c2c(nc3c(-c4c(F)cccc4C(F)(F)F)c(C(F)(F)F)nn13)CCSC2 2081480407 UKOBKOFWWDFAIU-UHFFFAOYSA-N 436.356 4.945 30 10 IJEE C=C1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O)C[C@H](O)[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C 2085670201 ALTRINCJVPIQNK-JKKQKGGGSA-N 428.613 4.605 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(C)CCN(c2cc(Br)cc(F)c2C#N)CC1 2118197876 ZJJVEQYPSGVDDK-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)CC1(C)C 2181113050 UNFJKCPESNPJIX-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1N(c2cc(Br)c(C#N)cc2F)CCCC1(C)C 2184378817 DRYDBRDAMDFKAC-KRWDZBQOSA-N 440.357 4.980 30 10 IJEE Cc1sc(Br)c(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c1C 2194129071 SDRTZQYMTJCDJN-YJYMSZOUSA-N 440.212 4.826 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC23CC3)c1 2220824484 AXFIPZRAVYPQRQ-XMMPIXPASA-N 443.544 4.730 30 10 IJEE Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232304110 QPUBVKNIJUEFTB-OAQYLSRUSA-N 435.421 4.544 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2ccccc2Br)C2(CCCC2)C1 2235725486 DBMOKVXNWHIMHO-PKOBYXMFSA-N 434.374 4.589 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2235745496 CVZNXCFZACMFCF-GCJKJVERSA-N 433.390 4.616 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@H](N)C#Cc2ccccc2Br)C1 2235748747 CHCHBFPUDZMUNH-IEBWSBKVSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1c(Br)cccc1C#N 2241650876 VOYAVUOSQQOVIV-UHFFFAOYSA-N 430.346 4.852 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2255605201 KNOSNMWLLJRWTM-WKILWMFISA-N 430.354 4.869 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1C 2268159833 KXFOUJPLMYHPQC-OAQYLSRUSA-N 448.567 4.501 30 10 IJEE C=CC[C@@]1(COc2cc(C)c(N)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2272231784 JBKVSBDOZIWUJF-HXUWFJFHSA-N 425.367 4.922 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296265906 CJCQBBWIGBLNNB-RTBURBONSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](O)(C#Cc2ccc(Br)cc2)C(F)(F)CC1 2296287710 ZIHPWBJKOIKRMC-IBGZPJMESA-N 444.316 4.588 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2296311461 XGKPTDVXOBKATO-VAMGGRTRSA-N 435.406 4.670 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 2296561943 DOSPTHNIVLAMQZ-JOCHJYFZSA-N 432.476 4.705 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296923868 DNLDFYXATMFMGW-IBGZPJMESA-N 449.488 4.603 30 10 IJEE COC(=O)c1ccc(N=C2SC(=Cc3cc(C)n(-c4cccnc4)c3C)C(=O)N2C)cc1 2297461803 BKQJLAWKMNQSHT-UHFFFAOYSA-N 446.532 4.510 30 10 IJEE COc1ccc(C=C2SC(=NCc3cc(C)cc(C)c3)NC2=O)cc1Br 2313511093 NJQJXBSTHNFDDT-UHFFFAOYSA-N 431.355 4.835 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2ccc(OC(C)(C)C)cc2)c1 2318572027 YNGVMNDXGVJWON-UHFFFAOYSA-N 438.553 4.725 30 10 IJEE Cc1c(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cccc1[N+](=O)[O-] 2323260142 AUPHIHQFOFHRLF-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c([N+](=O)[O-])c2)c1 2323949495 IXPAKRLJLDNNQK-UHFFFAOYSA-N 437.477 4.582 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c1 2324055232 VCQSJOREBCIBLQ-IYBDPMFKSA-N 437.536 4.812 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3OC(=Cc3ccco3)C4=O)CC2)c1 2324186249 PTBFISLCSDVIJB-UHFFFAOYSA-N 430.504 4.540 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccco1)C2=O 2325628175 FEIRXLNWPWNLOZ-AWEZNQCLSA-N 434.404 4.518 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1F 2325793564 KQIQNOCAJYEMLY-UHFFFAOYSA-N 430.067 4.961 30 10 IJEE CCOc1cccc(C=Nn2cnnc2SCc2ccc(Br)cc2)c1OC 2326606576 YRRZCULAVSLVTK-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE C=CCC1(NC[C@]23C[C@H](CCN2C(=O)OC(C)(C)C)C3)CCN(C(=O)OC(C)(C)C)CC1 2326621637 SPZWITPQWYGLBC-KJDSRRNHSA-N 449.636 4.711 30 10 IJEE Cc1ccc(CCCC(=O)N[C@@H]2CCN[C@@H](C(=O)C=Cc3cccc(OC(C)C)c3)C2)cc1 2328263725 FWLGOHDLFGNHEX-AOYPEHQESA-N 448.607 4.624 30 10 IJEE COc1cccc(C=NNc2ncnc3[nH]cnc23)c1OCc1c(Cl)cccc1Cl 2328810623 RIWJIJJDHUKGRE-UHFFFAOYSA-N 443.294 4.693 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 2330792460 KMZSRJGQIQNMKP-UHFFFAOYSA-N 448.431 4.512 30 10 IJEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cc(Cl)ccc2O)c1 2330919480 CTKQJKLPOUNWCJ-IBGZPJMESA-N 428.945 4.972 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 2330967962 BUEIYSRSMNJLHP-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)ccc1F 2331339656 WQRZYWIMDJPPOZ-UHFFFAOYSA-N 435.407 4.923 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(C)C)c1 2331696136 WTLQTVTULDFFLG-UHFFFAOYSA-N 437.569 4.645 30 10 IJEE CCN[C@@H](C#CC(C)(C)OC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2338208758 JZDXRBQMUADNNL-KRWDZBQOSA-N 425.367 4.875 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339606857 WRMSPFPNXINQJY-MBEBDKRWSA-N 441.381 4.538 30 10 IJEE CC[C@H](NCCc1cnn(Cc2ccccc2)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839846 YIJAUKASUWQQJD-VWLOTQADSA-N 445.416 4.514 30 10 IJEE N#Cc1cc(Br)ccc1N[C@@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2374896910 BSKTYVGTLICQJU-CTNGQTDRSA-N 429.314 4.715 30 10 IJEE N#Cc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 18056410 GCXHCGQSRLZFDJ-UHFFFAOYSA-N 434.446 4.656 30 10 IJEE Cc1ccc(F)cc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 20905313 ZPCGXAOUVLMHNU-WYMPLXKRSA-N 434.500 4.582 30 10 IJEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)ccc1O 21256054 PAFDHJXWBVJXCU-TZIWHRDSSA-N 449.547 4.830 30 10 IJEE CCCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)S/C1=N/c1ccc(OCC)cc1 33293856 MHSIXVGBAUAYQV-TWGQILOBSA-N 440.521 4.563 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 34780753 DHKVEWXYAFOJNJ-DJKHGBOQSA-N 440.455 4.773 30 10 IJEE Cc1cc(C)n(-c2ccc(S[C@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)nn2)n1 36033951 SDVBOZYYEAJCAD-RHTHQAGFSA-N 433.581 4.640 30 10 IJEE C=CCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Br)cc1 39844272 UKGAFBLMXGGINK-UHFFFAOYSA-N 437.290 4.674 30 10 IJEE C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)c2cccnc2)nc2ccccc21 40180691 AZFNMWLOIRKLAO-IBGZPJMESA-N 426.520 4.730 30 10 IJEE C=CCOc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 64656523 IBWRBPUNPWKMDL-QGZVFWFLSA-N 425.531 4.620 30 10 IJEE O=C1CCCC2=C1[C@H](c1cccc(Br)c1)c1c(nn(-c3ccccc3)c1O)N2 101100644 WKBCUTPRVDYOFQ-SFHVURJKSA-N 436.309 4.905 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1C 169953481 WIRYSFGJWILBTQ-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 169953525 XSXICPNEZRKUSD-VWLOTQADSA-N 426.516 4.855 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 169975509 ITQLYWZHSDOAMQ-QHCPKHFHSA-N 449.547 4.534 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 169975761 ASTACKXUCXQNDL-OAQYLSRUSA-N 440.971 4.777 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccn2)c1 169990544 YEUDWFIPOZXIRS-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccn2)c1 169993199 YXGACEUGSHYGAK-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(F)cc2)c1 170060705 NAQPXCQZNKKSLV-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170113574 LBESBHJKNCMKTK-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(N(C)C)cc1 170128817 MEHXDAYFSYUOCR-OAQYLSRUSA-N 442.943 4.793 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccs2)c1 170139197 MOXZXLNDSHKAEP-OAQYLSRUSA-N 433.485 4.564 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)c1 170141217 SYTWUSQLUVHIBT-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)c1 170161390 TVVVQPXNCVVVLN-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccs1 170166035 AMQPDJFIKAXRBL-JOCHJYFZSA-N 434.561 4.821 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@H]3c3ccccn3)oc12 170170705 WDGVDPHVVDUKMH-QFIPXVFZSA-N 440.455 4.928 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170199228 RKPOUEFJMCVSSK-QHCPKHFHSA-N 428.463 4.882 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2C)c1 170271486 JJSBHGOZYMTFFF-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE CC1CCN(Cc2ccc(/N=C(O)/C=C\c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 206782258 FMTJVOVXCORRRC-GHXNOFRVSA-N 427.570 4.591 30 10 IJEE CCOc1cccc(/C=C2/Oc3cc(OC)ccc3C2=O)c1OC(=O)c1cccc(OC)c1 210087052 VQZLBCFXCUDGGX-OEAKJJBVSA-N 446.455 4.938 30 10 IJEE CCc1nnc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)s1 252590400 ASPRAROVLNWSIJ-XXNSLNHYSA-N 435.578 4.975 30 10 IJEE CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)c(OCC)c1 252625951 QSSALCBNGKPIME-QQAFOXPBSA-N 426.538 4.734 30 10 IJEE N#CC1(C(=O)Nc2cc(Br)ccc2I)CCCCCC1 312521038 FZULWLAURHRPBI-UHFFFAOYSA-N 447.114 4.856 30 10 IJEE C=CCc1ccc(OCc2nc(-c3cc(Br)c(O)c(OC)c3)no2)c(OC)c1 445388173 AMPNMPVLWDNGOI-UHFFFAOYSA-N 447.285 4.529 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 460372982 YREGJCYQVPJMFT-UZLBHIALSA-N 426.952 4.723 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 460554975 PAQFVOHZYLXVTF-LJQANCHMSA-N 436.487 4.643 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 480315431 BVLZOKQNELZSSY-UHFFFAOYSA-N 437.935 4.785 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(C(C)=O)cc1)c1ccc2c(c1)OCO2 520323485 FGJKIUHAKWWGQQ-UHFFFAOYSA-N 443.499 4.959 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](n2ncc3ccccc32)C1 549644828 DQPYVVKEHCDWAY-ICSRJNTNSA-N 446.530 4.934 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 555249603 TWLXTLXMJZONCO-XMMPIXPASA-N 446.551 4.587 30 10 IJEE Cc1ccccc1[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CCO1 556979569 JBJIPQKRLJFHFC-RUZDIDTESA-N 435.531 4.751 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 558979147 KWIAKWQUWMMNMY-OAQYLSRUSA-N 441.664 4.842 30 10 IJEE CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)n1 598954895 FKCCKVCHKSVSQK-CVEARBPZSA-N 433.533 4.641 30 10 IJEE C=C(C)C[C@H](C)c1nc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1 685360870 LWOWICONZQXUTQ-NRFANRHFSA-N 444.579 4.616 30 10 IJEE C#CCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686826243 DLJTWEAMDGXRMR-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE C=C(COC(C)C)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705409939 PTJPBAAZXCPJMB-AKIFATBCSA-N 434.621 4.834 30 10 IJEE Cn1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c(Br)n1 712418811 JNLRMWMINAPXHZ-AWEZNQCLSA-N 425.714 4.842 30 10 IJEE C=CCN(C(=O)/C=C/c1cccc(OC2CCCC2)c1)c1nc(C(=O)OCC)cs1 727667832 SHTNNKQSSOOAQY-OUKQBFOZSA-N 426.538 4.874 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C 789719442 QEKMINBUNNEXLC-UHFFFAOYSA-N 430.495 4.736 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](c2ccccc2)[C@H](C)C1 800773839 NFXMGYBQKDHZMB-OFNKIYASSA-N 445.567 4.521 30 10 IJEE Cc1cc(Cn2c(-c3ccc4nc(O)oc4c3)csc2=Nc2ccccc2C#N)no1 920353054 ZYUVYTKVLGXJMN-UHFFFAOYSA-N 429.461 4.512 30 10 IJEE CN(N=Cc1ccc(Cl)cc1Cl)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 1081095263 JVGMXVSEOOAHTC-UHFFFAOYSA-N 448.402 4.629 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1ccccc1 1127300510 FJYLPQFMQQSRSP-CVDCTZTESA-N 426.582 4.687 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2ccccc2S(=O)(=O)C(F)F)cc1 1129022417 GSLIZCHUODZJCI-UHFFFAOYSA-N 444.484 4.958 30 10 IJEE N#Cc1ccc(F)c(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 1129597422 BPJNTJWYIVXVSI-UHFFFAOYSA-N 438.256 4.964 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(Cl)cc1 1129602050 IOEQPSHCPGGDLV-JXFKEZNVSA-N 449.765 4.990 30 10 IJEE C#C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(Cl)cc1F 1129615593 CBMNPTNEIWBDJU-INIZCTEOSA-N 425.641 4.563 30 10 IJEE COc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cc1OC(F)F 1129974107 COBZBMXXZXCQEV-LBPRGKRZSA-N 428.357 4.870 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1OC 1130785656 RFLBOZCDOUJHJB-MUBGVTJJSA-N 441.955 4.835 30 10 IJEE N#CCCN(C(=O)CCc1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 1136612399 FZMAFSVYURBXFG-UHFFFAOYSA-N 442.515 4.916 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 1141726520 PSEQFLMCBXFEBN-MAUKXSAKSA-N 439.394 4.746 30 10 IJEE N#C[C@@H](CCc1ccccc1)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 1153988610 DRDKZVAGTPKBFP-GOSISDBHSA-N 427.342 4.591 30 10 IJEE C#C[C@H](C)N(C)C(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1156192013 VNMNDZKVEWRXLD-SFTDATJTSA-N 444.575 4.908 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1COC(C)(C)C1 1158490488 TXRPLTIKFDRTCH-MHECFPHRSA-N 448.563 4.544 30 10 IJEE C[C@]1(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC(c2ccccc2Cl)=NO1 1182228837 DCOKLFJGWWHGKD-JOCHJYFZSA-N 436.924 4.781 30 10 IJEE C=C[C@@H]1CCCCN1Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1 1193943392 WBWALFPIVDOBMD-QGZVFWFLSA-N 436.581 4.703 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC 1200243572 KBXBFRUGGLNVNB-YLJYHZDGSA-N 445.401 4.948 30 10 IJEE C#Cc1cccc(N(C)C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1203646776 QITIHJSUTNBGTH-OAQYLSRUSA-N 426.442 4.920 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)Nc3csnc3-c3cccc(C(F)(F)F)c3)C2)cc1 1220135350 HAEDJNIUWXXIAN-UHFFFAOYSA-N 444.438 4.996 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1223910388 GDRDPYIFKUFSHR-HXUWFJFHSA-N 433.474 4.671 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 1230269142 UNWQIKYKQOEDEH-NYVOZVTQSA-N 448.485 4.542 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c1 1233552658 FCQFKVLFRSAYIR-DEOSSOPVSA-N 443.547 4.886 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1 1270182774 AJYFOZKDFYPITI-QFIPXVFZSA-N 438.955 4.684 30 10 IJEE CCCCc1ccc(N2C[C@H](C(=O)Nc3cccc(C#N)c3Br)CC2=O)cc1 1276487606 AGIIRZFZIASZGR-QGZVFWFLSA-N 440.341 4.655 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2ccco2)C1 1286316998 IFEBRAHEYSJJJN-NRFANRHFSA-N 440.931 4.582 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286419700 CZCAGMYOJMDKEW-IVAOSVALSA-N 436.987 4.971 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCSC1(C)C 1286461179 VYLYUIBDMICXDP-OAQYLSRUSA-N 440.657 4.860 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1286667771 NGQXLSJDEDKKAQ-KOSHJBKYSA-N 442.629 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N(C)CCn1cccn1 1286668561 RFDJXKQIRSPDJI-UHFFFAOYSA-N 443.393 4.643 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1286721004 NGZRCEHRAFHDMS-UHFFFAOYSA-N 427.339 4.879 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1286721094 SDWLBIRJYOGPLX-IRXDYDNUSA-N 445.995 4.895 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)N1CCCC1 1286747043 ILUUMXPUJBHSKF-GMAHTHKFSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1ccc(C)cc1 1286748858 DDSYZKMKUCTVFC-RXVVDRJESA-N 435.597 4.595 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286776898 KBVGYTZCZGDKFU-KRWDZBQOSA-N 430.961 4.644 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](C)C2)ccc1Cl 1295083138 XXLTZOCLECEMCP-QZTJIDSGSA-N 447.000 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1300275255 RZQZKJKNRUKEHH-OYSTVDSJSA-N 430.980 4.733 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300386703 UCQXEIMPMKVLSK-HXUWFJFHSA-N 431.584 4.999 30 10 IJEE COc1ccccc1Cc1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(Cl)s1 1300546153 GFTWIEHWDNSJQV-UHFFFAOYSA-N 441.988 4.771 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCc1ccccc1 1300611697 JCSNXHBPDRWURT-UHFFFAOYSA-N 429.387 4.861 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 1300673758 YJAVGDUAWYVCKQ-UHFFFAOYSA-N 449.407 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCO[C@H]1CCCC[C@H]1C 1300809253 VQNYSKZRNLUYNO-WSUBETFTSA-N 442.554 4.735 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1300829536 GTYKYVFJYYCSTK-INIZCTEOSA-N 449.393 4.743 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1300852675 BUFDXBASPVIPIG-MRXNPFEDSA-N 448.390 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(C)(C#N)CC1 1300896984 MMZSKUKPFHBHEI-URXFXBBRSA-N 449.599 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccc(Cl)cn1 1300906282 MDILOAUOQRDPQL-UHFFFAOYSA-N 433.343 4.523 30 10 IJEE C=CC[C@@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 1301166205 RAODPKXQIHDUMM-DEOSSOPVSA-N 449.643 4.674 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)CC1 1301259316 JIAYPWQCDFCMDB-UHFFFAOYSA-N 448.558 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCCCC1 1301271555 WKQRIWHANOJRNG-UHFFFAOYSA-N 436.629 4.875 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@@H]1CCCN1C1CCCCC1 1301342046 RHGFSIGIRCUTEJ-DEOSSOPVSA-N 432.616 4.702 30 10 IJEE C=C(CSc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1CC)C(=O)OCC 1307271246 WPDYMZBXZBRXTN-UHFFFAOYSA-N 432.542 4.804 30 10 IJEE COc1ccc(CN(CC(=O)N(CCC#N)c2cccc(C)c2C)C(C)(C)C)c(OC)c1 1307566987 IFFUNKSULPITQH-UHFFFAOYSA-N 437.584 4.868 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 1307594495 FKOJLRGSCXWMIB-KMFGOTIKSA-N 442.551 4.661 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(I)cc2)cc1 1310303680 ZMPWVASSXKMEQR-LJQANCHMSA-N 446.288 4.672 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(Br)cc1 1312371711 IAYJIUHBRWXQGM-ZWKOTPCHSA-N 433.733 4.990 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCOCC2)C1 1314598009 HACPDKJFCHIRNN-OAQYLSRUSA-N 439.629 4.745 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H](C)CC#N 1315690631 GYMIBWBULFGFBI-RZUBCFFCSA-N 439.604 4.842 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 1356365337 VKUVTEHRMCJFAM-JOCHJYFZSA-N 440.547 4.518 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@@]1(OC(C)C)CCOC1 1358918026 JAZRWUZMXRMURA-AUSIDOKSSA-N 428.602 4.525 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(CC)CC2)CC1 1359165629 SVKSBXXITWYXFF-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](COCC)C1 1359185757 IFABSAGSLKEERA-IBGZPJMESA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC2CC2)CC1 1359191686 JPFPVBXNMZPCKC-UHFFFAOYSA-N 444.023 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(CC)C1 1359262394 RXWVPOZZGJDOOO-IBGZPJMESA-N 437.613 4.550 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC2(CCCCC2)C1 1359285548 PJQCADPYJPILEG-UHFFFAOYSA-N 435.341 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(C)CCCS2)C1 1359325755 MDZWWTMTQWXHBR-ZJSXRUAMSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1359342060 NXAPVLORJYXTSB-GOSISDBHSA-N 431.675 4.800 30 10 IJEE C#CC[C@]1(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)CCCN1C(=O)OC(C)(C)C 1360102282 DJNFLQSMZJVPJL-RUZDIDTESA-N 445.003 4.914 30 10 IJEE C[C@H](Oc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1)c1ccccc1 1360123219 HYULVZTUZVYOCZ-OFVILXPXSA-N 425.532 4.677 30 10 IJEE Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@@H](C)CC#N)no1 1361070146 DHCMXRPHXIYXRI-RDJZCZTQSA-N 442.951 4.771 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1OC 1435645239 XTYCFTXGZBMNND-WZUFQYTHSA-N 446.469 4.641 30 10 IJEE C[C@@H]1CN(Cc2ccc(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)cc2)C[C@@H](C)O1 1458099501 AHJFXCKVRRVMJS-WOJBJXKFSA-N 443.595 4.705 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccc(OCC)cc2)n1-c1ccccc1F)C(=O)OC 1458855800 OTDYOBHVJKIMIE-IBGZPJMESA-N 427.501 4.682 30 10 IJEE Cc1sc(NC(=O)CNC2(c3ccc(Br)cc3)CCCC2)c(C#N)c1C 1459746906 DMANBDLQFZRCPQ-UHFFFAOYSA-N 432.387 4.997 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)c1 1459748524 JQZKQHPUUOGNHE-AREMUKBSSA-N 437.543 4.814 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N(C(C)=O)[C@@H]2C[C@H]2C)cc1 1461528507 DFYUFWYCECKUOO-QVKFZJNVSA-N 427.342 4.835 30 10 IJEE Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)ccc2C)c1 1463672282 HHKDUBSVWSOSDO-LJQANCHMSA-N 447.560 4.793 30 10 IJEE C=C(Cl)CNC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1469671406 DMRZBDJMYBJDHN-UHFFFAOYSA-N 439.737 4.588 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CCCC1 1475860308 LJELGBYPSZTLDF-IBGZPJMESA-N 433.618 4.755 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1476040301 GMWPLARDEJSYCI-GBESFXJTSA-N 442.560 4.503 30 10 IJEE CN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1478219692 CBRUZNQCZKZCID-RRIAHRGQSA-N 448.567 4.531 30 10 IJEE CN(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccc(F)c1 1503379961 FKYOHIXQCUZNQA-RDGATRHJSA-N 438.595 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC1CCOCC1 1507523153 LUIMFPAAQFULSP-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1507571797 NHPNQIHCGOBJJV-GXRSIYKFSA-N 442.648 4.784 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H]1CCCCN1CCCC 1507699106 BQRSDDCMVPNJLG-HSZRJFAPSA-N 425.596 4.835 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@H](C)C1 1507749446 VRXDAQAODFBAOL-INIZCTEOSA-N 433.419 4.700 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1507793340 DATWWUKDFZDEME-OXQOHEQNSA-N 449.382 4.834 30 10 IJEE C=C(Cn1c(N2CCC[C@@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)c1ccccc1 1507850321 GQKTXGQLRVPZCC-HXUWFJFHSA-N 435.547 4.871 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1507879314 DSIWYXHHEYNQGL-SLFFLAALSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCSc2ccccc2)CC1 1507908782 FFIAKWAVTJWOEN-UHFFFAOYSA-N 436.629 4.725 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1507952289 OYWQBTOWOIODNH-APWZRJJASA-N 431.378 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(N(C)C)CCCCC1 1508015387 UDNUZDSSQUXHRM-UHFFFAOYSA-N 445.615 4.778 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N(C)Cc2c(C)noc2C)cc1 1508104782 NJEAKPNKQKEDLH-UHFFFAOYSA-N 435.572 4.865 30 10 IJEE C=CCN(C(=O)c1cc2c(Cl)cncc2s1)[C@@H](Cc1ccccc1)C(=O)OCC 1516155620 KODJHLDOCQVLBW-SFHVURJKSA-N 428.941 4.752 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1522906178 PEOJILPCIKLXIJ-HXUWFJFHSA-N 428.623 4.776 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCCC(C)C)c(OC)c1)c1ccc(Br)cc1 1528498572 XYTOPUGBEYASKV-LJQANCHMSA-N 430.342 4.987 30 10 IJEE C=CCn1c(SCC(=O)Oc2cccc3c2CCC3)nnc1-c1ccc(Cl)cc1 1530168387 DRGGZPHJUXFYGH-UHFFFAOYSA-N 425.941 4.971 30 10 IJEE C=C/C=C\CCNC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2)ccc1Cl 1536823950 ZTVRRBQOULERKY-WAYWQWQTSA-N 430.957 4.583 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)c1ccccc1 1537448184 QCZIDQRHPOBQBQ-NDEPHWFRSA-N 435.336 4.736 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3cccc4ccccc34)C(F)(F)F)cc2C1=O 1538225807 PSICWDPLNNDPNT-FQEVSTJZSA-N 438.405 4.655 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1539059601 RVCMCAAZCHFXNB-UHFFFAOYSA-N 448.567 4.948 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C1CCCCC1)N(C)C 1539346556 GGEKVZMPKVTIHY-RUZDIDTESA-N 444.627 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](OC)[C@H](C)CC 1539538753 MRYJCNJIAJNBAT-CVOKININSA-N 428.552 4.610 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1539882644 SCRKWGCBGOQIJH-QFIPXVFZSA-N 437.632 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1539912044 BMLXJUAEZGNNIZ-UHFFFAOYSA-N 446.599 4.943 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)O 1540182053 HCOGRFPUFLOHCO-UHFFFAOYSA-N 440.613 4.875 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC[C@@H]1C 1540194698 YBVZCTUTNKYGLF-HOTGVXAUSA-N 439.387 4.563 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2NC(=O)C(C)C)cc1 1540674560 YBDFGNAZJUUUET-UHFFFAOYSA-N 430.508 4.994 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1540854587 RKGUMWMMMDOHQJ-APWZRJJASA-N 445.995 4.914 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCO[C@H]2CCCC[C@@H]2C)C1 1540888510 RITLHQFCYYBGPF-JQVVWYNYSA-N 445.007 4.975 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)CCC(F)F 1540911939 HKLMXGMYEPZLJN-UHFFFAOYSA-N 431.350 4.718 30 10 IJEE CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1541101780 HXVPUFLJWKEDNC-HSZRJFAPSA-N 427.504 4.994 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)c1 1547451213 DZTBWZINCKBCRC-YOEHRIQHSA-N 428.451 4.768 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)CC2)cc1 1558601948 AEDFALLSKZBYFR-UHFFFAOYSA-N 426.289 4.961 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)CCOC2)[C@H]1CCOc2ccc(Br)cc21 1563069895 AQFFRMYGHXAZRB-FQEVSTJZSA-N 441.325 4.513 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(C)cc1C 1564847346 LEWHQBDIMVMJNN-UHFFFAOYSA-N 427.976 4.846 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(F)cc1Br 1568588850 YJKSCNVUOFSUAW-UHFFFAOYSA-N 444.304 4.611 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)nn1-c1ccccc1Cl 1585325304 FPLDGODFUANHRP-UHFFFAOYSA-N 427.895 4.948 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(Br)sc1Br 1585640713 AHZXNORHIASTRK-SECBINFHSA-N 428.149 4.978 30 10 IJEE CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2=O)cc1 1586043348 COHPHXADNVRZAF-QGZVFWFLSA-N 445.441 4.791 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 1587337856 FTWNJKLKRLHDBE-FQEVSTJZSA-N 430.460 4.682 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1588550772 XOIIZAPAICZNHJ-RTWAWAEBSA-N 437.607 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](COCc2ccccc2)C1 1589496605 YRAPDWSVCKNBDE-RBVMOCNTSA-N 438.616 4.816 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](CC)C1 1593908596 NJWLESJWJYYRGI-SFHVURJKSA-N 439.387 4.619 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1594014186 POOMDTCTLTWPME-QHAWAJNXSA-N 440.588 4.788 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nccn2C(F)F)CC1 1594209504 YSSYSNZHGQCRSR-UHFFFAOYSA-N 436.869 4.780 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1594478181 OAYSHOZULWSDIE-UHFFFAOYSA-N 447.583 4.691 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnc(C)s1)c1ccccc1 1594544024 GZJSZLJDUGTZPY-NHCUHLMSSA-N 437.613 4.933 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CCC)C1 1594569081 XZFFSYNIUDUNFE-OAQYLSRUSA-N 425.577 4.509 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1595100066 MMPKVIJVKBULSU-AZGAKELHSA-N 433.600 4.746 30 10 IJEE Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1595553383 FRRGMSYQWFROQF-CQSZACIVSA-N 438.519 4.938 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(F)(F)F)cc2)C1 1595688802 OTPKXSTWAVBENG-GOSISDBHSA-N 432.446 4.695 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(C)C)C1 1595844916 JZIREVHQADCPMC-HNNXBMFYSA-N 438.439 4.827 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1595860437 OTPLXLAWPWFIGB-VQTJNVASSA-N 427.643 4.846 30 10 IJEE C=C1CCC(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 1611416326 YZYLUBDQQBSNJZ-SFHVURJKSA-N 437.378 4.878 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCCOCC1 1624042338 OLZOAPHUDJHTRY-UQBPGWFLSA-N 448.563 4.545 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(SC(F)(F)F)nc1)c1ccc(Br)cc1 1625546963 LYOVGDATSXCWHR-ZDUSSCGKSA-N 430.249 4.952 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F 1628255823 BPINBNRZTJCOHE-HNNXBMFYSA-N 438.849 4.753 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1633352052 QOFOHSIFBXVTJO-VABKMULXSA-N 439.600 4.820 30 10 IJEE C#CCN(C(=O)c1cc2c(cc1O)CCCC2)[C@H]1CCOc2ccc(Br)cc21 1633715153 YGBJEFGVKXTIFA-FQEVSTJZSA-N 440.337 4.633 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC)[C@@H]1C[C@H](OCC)C12CCCC2 1633954420 MFJPEASADWNCEY-OTWHNJEPSA-N 443.028 4.999 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C 1636816899 KYTRQLZOVIYKCP-QZTJIDSGSA-N 426.479 4.825 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1636941246 NVVPRLKPXKEAQC-LJQANCHMSA-N 443.391 4.930 30 10 IJEE C=C1CCC(CNC(=O)C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)CC1 1637666868 YPLZOOBWWLKLPL-QGZVFWFLSA-N 440.506 4.792 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 1638064587 HZJBMIIDRCYUID-NQIIRXRSSA-N 440.609 4.989 30 10 IJEE C=CCc1cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1640333512 MDXCYGWZKUZNBA-NRFANRHFSA-N 437.536 4.514 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)C1 1641030518 ZILNYKTYXWEMFD-OAHLLOKOSA-N 431.627 4.714 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 1641583178 QXOOVPVOYDHFJW-QHCPKHFHSA-N 429.520 4.688 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nc2sc(C)c(C)c2c1=O 1643465048 VVLSFYBVXILPDR-QGZVFWFLSA-N 446.569 4.666 30 10 IJEE CCOC[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1646112563 HPOIVCLYJDGHFY-ROUUACIJSA-N 431.646 4.990 30 10 IJEE C=CCn1c(SCc2cccnc2C(F)(F)F)nnc1[C@@H]1COc2ccccc2O1 1652469549 TYVVAYUYEHWJNZ-INIZCTEOSA-N 434.443 4.683 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]1CCCc2ccccc21 1654894525 CUKZTUBCKAUANU-AREMUKBSSA-N 436.559 4.917 30 10 IJEE COc1ccccc1[C@@H]1CC[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1655288985 HXMUHYJLEAFBLU-KUHUBIRLSA-N 438.471 4.748 30 10 IJEE CC(C)(CC#N)CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 1659842155 DVTREEXMBCDKLC-UHFFFAOYSA-N 426.369 4.660 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 1660031475 NQVMFYPQAHTIBT-UHFFFAOYSA-N 431.435 4.962 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 1660895458 GADYEPBDNIGQBT-HSZRJFAPSA-N 427.591 4.791 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)c1C#N 1662084536 HEUSMIVRVXJRQM-MRXNPFEDSA-N 432.590 4.972 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 1662577219 LDOZDDGDIIXGMK-QGZVFWFLSA-N 444.373 4.752 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1 1665945472 HNKAWJQORXMXIP-AREMUKBSSA-N 441.575 4.912 30 10 IJEE Cc1c(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cccc1OCC(F)(F)F 1666773042 CAWUJOVZUZIGHI-UHFFFAOYSA-N 446.473 4.594 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 1667010628 CCVWVOAVDRHLRS-UHFFFAOYSA-N 433.961 4.505 30 10 IJEE N#Cc1cc(S(=O)(=O)NC[C@H](Cc2ccccc2)c2ccccc2)ccc1C(F)(F)F 1667629738 HIADMTOCMRYNTN-FQEVSTJZSA-N 444.478 4.882 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2ccccc2OC(F)(F)F)cc1 1668389646 RREWJJOLSFQTIV-UHFFFAOYSA-N 447.457 4.764 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 1670503731 AIRRDZKAEKGBIC-OAHLLOKOSA-N 444.919 4.707 30 10 IJEE C#CCN(C(=O)N[C@H](CCC)c1ccc(F)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1670509996 RWWYXXDBNUTOMI-OAQYLSRUSA-N 449.542 4.850 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC 1672930414 NLWCPUMIAHTUPG-UHFFFAOYSA-N 429.826 4.821 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc2c(ccn2CC(=O)OCC)c1)c1ccc(F)c(F)c1 1674376973 HJRAXZJSXSZORY-QFIPXVFZSA-N 427.451 4.922 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)CC1 1679825389 NUVHGZCNABSGMO-UHFFFAOYSA-N 447.505 4.931 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)c1ccc(Br)cc1 1682356264 DCTWRXZNXDNOKF-HXUWFJFHSA-N 426.358 4.565 30 10 IJEE C#CCN(C(=O)NCC(F)(F)C(C)(C)C)[C@H]1CCOc2ccc(Br)cc21 1684251728 BTGUITBRKAAPRM-HNNXBMFYSA-N 429.305 4.599 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc2ccccc2s1 1689834065 WOXARYAOBZBQTE-CYBMUJFWSA-N 440.370 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1csc(C)n1 1689862478 ABJLQHIJGQDXFI-QGZVFWFLSA-N 437.613 4.620 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCS1 1690083692 LVPDENJYUTUDQQ-HNNXBMFYSA-N 425.385 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCc1cccs1 1690243543 LZZPFIDLGVTDOA-GCJKJVERSA-N 438.597 4.675 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C)c1ccccc1 1690322478 GXOHRRRKICZFLD-REWPJTCUSA-N 435.616 4.780 30 10 IJEE C=C(Cl)Cn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1690358665 HQCGMDZMMZTMCL-DOTOQJQBSA-N 440.897 4.657 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1690415257 FFGWWMAYCIOZDK-OAQYLSRUSA-N 441.595 4.519 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 1690447179 LKHALZMFFFFPOW-RBBKRZOGSA-N 438.616 4.710 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC(=O)N1 1690447288 MIJYMXWBKDPVQG-PKOBYXMFSA-N 441.645 4.593 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690455619 LYLSGNWJGHKHDS-DHIUTWEWSA-N 438.616 4.983 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1690467984 OJNNQROUZLDKGO-IAGOWNOFSA-N 449.393 4.590 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(C(=O)NCC)CCC1)C1CC1 1690539576 DPQGMJDWKLCIKE-UHFFFAOYSA-N 448.398 4.713 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@H](F)C1 1690603569 DULVHLFKNBOEEG-XZOQPEGZSA-N 436.579 4.513 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC1(CC)CCCC1 1696164191 DPOISMBKASXZAD-UHFFFAOYSA-N 437.588 4.966 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCc2cccnc21 1705479294 HAOINPWTTBYCCW-QFBILLFUSA-N 437.494 4.520 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705515452 DUODAXYPBIOHQF-ICSRJNTNSA-N 427.618 4.726 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1705528964 YMLWXNRGNPOGDW-IBGZPJMESA-N 440.588 4.550 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccc(Cl)cc1 1705530087 NXCLRDDAODUNPF-UHFFFAOYSA-N 430.339 4.576 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)Oc1ccccc1F 1705544846 GHTWIHXRSGDNMQ-IAGOWNOFSA-N 438.572 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)C1 1705708518 CZRAJFSTGHEIDD-ROKPMTFOSA-N 438.616 4.982 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](CC)N2CCCC2)CC1 1705777038 VYEYSRNWABXBSN-PZJWPPBQSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1nncn1C 1705799593 AZDVDOHFUKIEEU-RTWAWAEBSA-N 449.603 4.861 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC1CCCC1 1705843138 YKWYXUMLOYAJKI-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1oc(CC)nc1C)C1CC1 1705852223 XEOVWHDGWNEJNI-UHFFFAOYSA-N 442.361 4.770 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC=C(Br)C2)cc1 1705909555 AJVHAASRYROJCV-MRXNPFEDSA-N 431.378 4.894 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1C[C@@](C)(O)c1ccsc1 1707642164 FCOWBTHJJONYSM-XMMPIXPASA-N 437.613 4.989 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1722288748 GOZWYGCFVJIEBJ-BDTNDASRSA-N 446.643 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCc1ccc(Cl)s1 1722470933 NIVBRBKPTBFLNO-JOCHJYFZSA-N 426.973 4.903 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](OCc2ccccc2)C1 1722510870 XJHQFMUJMHHKJH-ZDXQCDESSA-N 438.616 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(F)(F)F)cc1 1722514520 AZFXMBQNZQQIHV-UHFFFAOYSA-N 432.494 4.609 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)(COC)CC1 1722520889 QMFKGGSAGYXFJQ-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CC[C@H](Cn1c(N2CCN(c3ncccc3F)CC2)nnc1C(C)(C)C)c1ccccc1 1722597874 XCMHZZATMIYFTD-OAQYLSRUSA-N 448.590 4.796 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1722606822 IGTNDUREMWSDHS-OXQOHEQNSA-N 439.541 4.847 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](COCC)C1 1722612098 PVQYBAGWOZHQPM-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCc1nccs1)C1CC1 1722645403 LSGYYAGXMCYHLE-UHFFFAOYSA-N 430.375 4.562 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722659993 JMNDBXKSOMSCFF-QZNHQXDQSA-N 442.579 4.565 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1Br 1722666369 NQZGBUXQLHJWSW-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CC1(SC)CCN(C)CC1 1722692665 TYJGKWCTRFPMRL-UHFFFAOYSA-N 441.689 4.638 30 10 IJEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)CCO1 1727332643 BDZNPDKGJMSESP-NBGIEHNGSA-N 437.588 4.560 30 10 IJEE CS[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1731055602 BNVMSLJNULJDMI-WMZHIEFXSA-N 445.608 4.694 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC(F)(F)C1 1740539226 BNIDQCWWBUQOCK-NWDGAFQWSA-N 429.334 4.662 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCCc1ccccn1 1740582363 CNVIDVBCAYYAQN-UHFFFAOYSA-N 438.373 4.585 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740594163 CYNMYXDHNUQHAL-UGKGYDQZSA-N 431.411 4.887 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1740594210 FIKMSPVLPANDLJ-NRFANRHFSA-N 444.526 4.604 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)C1CCCC1 1740648989 VWHDHSQODKICEW-UHFFFAOYSA-N 444.410 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(OC(F)F)c1 1740731805 IFQMXHGOLUZIDB-HSZRJFAPSA-N 432.515 4.517 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740856023 OCQMKPCGIPJHCQ-TZIWHRDSSA-N 428.625 4.703 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1740863903 HXVZHSWKXKZABM-UNMCSNQZSA-N 437.636 4.823 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCC(F)(F)C1 1740940261 YPNKSOSIGRLJCU-SFHVURJKSA-N 434.531 4.808 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1OC 1740998115 JNCFEHDIVTVUKM-UHFFFAOYSA-N 429.977 4.558 30 10 IJEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)s1 1742614261 GZILHFAZDLWVNW-CQSZACIVSA-N 447.568 4.627 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(CCc2ccccc2)nnc1N1CCC(CC#N)CC1 1743042797 DLODHVAFSQBDKC-QPPBQGQZSA-N 435.616 4.789 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1748674689 VUYIUHUAOKVZRP-QGZVFWFLSA-N 425.577 4.720 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC(C(F)(F)F)CC1 1748763318 ZDEJYQYWRSGKDW-UHFFFAOYSA-N 438.519 4.771 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS[C@H](CC)C1 1749024278 LMDPNDCPJZIHSR-SJLPKXTDSA-N 446.711 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CC=CCC1 1749132646 BMEXDODVWXWNMA-IECBHUPTSA-N 442.554 4.921 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)[C@H](C)C1CCC1 1749134014 SYBBEGNPIAGINC-WVBUVRCRSA-N 429.634 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1c(C)noc1C 1749147535 KRDDXACJTXZPRL-UHFFFAOYSA-N 431.487 4.796 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCc2ccccc21 1749175372 XEQIDPZRWCHOOC-GOSISDBHSA-N 426.362 4.746 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)CN2CCCC2)CC1 1749291844 KAJPYZYKLQOADS-VQTJNVASSA-N 444.023 4.960 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H](C)N2CCCCC2)CC1 1749351850 AXEOWUPQSLKZJQ-MDNUFGMLSA-N 443.680 4.864 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)noc1C 1749369246 ZWQRRSBNZPCHPD-NRFANRHFSA-N 437.544 4.634 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)c1ccccc1 1749383553 ZUKXRFZMPXHVQD-NRFANRHFSA-N 430.600 4.785 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1749401977 GTMOMDPDYCDQRG-QHCPKHFHSA-N 438.616 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCCCC1 1749564154 QNKZNACBIAISCK-UHFFFAOYSA-N 431.378 4.581 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCN1C1CC1 1749564821 ZWALAEVDYRQAJI-IBGZPJMESA-N 429.971 4.933 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)CCC(C)C)C1 1749703320 GHSNCDJFPBNQQW-JPYJTQIMSA-N 432.996 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOC1CCCCCC1 1760101928 WWIHYVLGOJJEOF-IBGZPJMESA-N 432.572 4.533 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCCC[C@H](SC)C1 1760141608 AYASCZJPJXVEEC-NRFANRHFSA-N 426.630 4.945 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)c1ncc(C)s1 1760214295 JBGLBNZWBMRMPM-GOSISDBHSA-N 440.576 4.525 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1760342569 OVNIKMHNZAZOTO-LJQANCHMSA-N 442.361 4.962 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCC[C@@H]1C 1760491877 XNMDTSLFJAQHNI-YCRPNKLZSA-N 449.368 4.576 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2c(C)coc2C)C1 1760536386 ASVWBHPAKFIFBP-SFHVURJKSA-N 442.947 4.647 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1csc([C@@H](C)OC)n1 1763872670 HVRCRYSIKXTDKJ-DLBZAZTESA-N 438.601 4.901 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)[C@H]1C)C(C)(C)C 1771397861 FNPWQNGGQFQOPB-GPMSIDNRSA-N 429.659 4.925 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)SC1=Nc1cccc2ccccc12 1772723109 IRBKDFNUUKCZII-QFIPXVFZSA-N 445.544 4.995 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(O)cc2)cc1 1862430257 GUWXIPZSOAOINU-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC)cc1 1862437277 NSRFTWGRWQCWGK-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccccc2F)cc1 1862474514 PORLHKAYCZCGTR-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(F)cc2F)c1 1862490799 DQBRREGBWKCGDT-OAQYLSRUSA-N 429.463 4.585 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862617774 JIZPRHYLTXNROB-HXUWFJFHSA-N 427.928 4.862 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(F)c2)cc1 1862663791 UJQKJOZTWXJKFD-QHCPKHFHSA-N 447.510 4.814 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)c1 1862707795 DVVBAMDLAVZVGB-XMMPIXPASA-N 448.563 4.702 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(O)c1 1862711723 BBRZNRDHWHUPJL-QHCPKHFHSA-N 431.488 4.875 30 10 IJEE CSc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862897576 VJGFJUNKDHUIRD-UHFFFAOYSA-N 425.513 4.985 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(F)cc2Cl)C1=O 1862930325 CWFPAUICQUVGEE-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(NCc2ccccc2OC(C)(C)C)=C(c2ccc(OC(C)C)cc2)C1=O 1863695681 VDDYKUDWQHHLQC-UHFFFAOYSA-N 448.563 4.707 30 10 IJEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N([C@H]2CCCC[C@H]2C)C1=O 1863707648 BLFGPQUHBYLHSP-XXBNENTESA-N 430.548 4.700 30 10 IJEE CCCC[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866695930 MBFICQJLSJMZMG-RPBOFIJWSA-N 440.547 4.593 30 10 IJEE CC(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1ccccc1C#N)c1ccc(Br)cc1 1866976349 BIPYWSBKNBUTNF-IBGZPJMESA-N 442.357 4.594 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1 1868723342 CBUYINWKXBGJPL-XZOQPEGZSA-N 426.507 4.582 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1 1868883899 AEQPUXZNMUECQQ-BJKOFHAPSA-N 426.601 4.845 30 10 IJEE CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(C#N)nnn1-c1ccc(C(F)(F)F)cc1 1870144785 KYHNBFXDGFNVQA-CQSZACIVSA-N 443.429 4.687 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc(C(F)(F)F)cc1 1870148452 NOBNKUNOXBYXIZ-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)c1c(F)cccc1Cl 1870160785 KKZNWHRYSWHDCO-UHFFFAOYSA-N 444.175 4.856 30 10 IJEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870161576 SZXYLLBTSNFXTA-UHFFFAOYSA-N 447.560 4.802 30 10 IJEE Cc1ccc(CCn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCCCC2)cc1 1870348469 ZHNZNIDLZIXKIW-UHFFFAOYSA-N 441.575 4.836 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CNc3cccc(F)c3)cc2=O)cc1 1871253571 BIYKTMRUQLIILN-UHFFFAOYSA-N 429.451 4.691 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)CCOc4ccccc4)c3C)C2=O)cc1 1871384530 XBOYLTRNQPXHFV-KQWNVCNZSA-N 430.456 4.994 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCC(CO)CC2)n1 1871524288 ZZWVGWZPCXZSDO-UHFFFAOYSA-N 447.027 4.672 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871812716 YGGDVQARIGQZTI-GOSISDBHSA-N 434.524 4.821 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871891614 SXAGVGJUGMNYHW-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871988543 MNLZPUUMFJVCLS-VGOFRKELSA-N 432.561 4.673 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2c(C)cc(C)cc2C)C1=O 1873119387 VIUXEEPTZWSYSO-UHFFFAOYSA-N 441.660 4.984 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 1873428635 UZUWJGHXNKHOHQ-UHFFFAOYSA-N 438.505 4.554 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCc3ccccn3)ncnc21 1873633645 XNOGPFSVIQNQOU-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874259441 ZWNKMPNKRAABDZ-HZHRSRAPSA-N 437.525 4.878 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874264656 JOFYLHFWEGHSKE-YDZHTSKRSA-N 444.944 4.688 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874283632 RISZLJILMKGULV-HYARGMPZSA-N 427.917 4.785 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1/N=C/c1ccco1 1874291183 MBDZDLCYYGHYJO-ZMOGYAJESA-N 438.484 4.772 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(F)cc1)Nc1ccccc1 1874415464 QZWLSXDWURFOCL-WGOQTCKBSA-N 445.523 4.621 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccncc2)cc1C 1874420885 JKOJTJYSQOSWPD-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccco2)c1C 1874425801 BETSYVMUHJZVIN-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCCC1 1874452569 BPIMACLRHBUYDC-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2C2CCCC2)cc1 1874457488 QYJZPFPPQCGTBD-WPWMEQJKSA-N 447.608 4.789 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(Cl)cc1 1874522054 ZFNQKRFVWYMYAG-FSJBWODESA-N 427.961 4.724 30 10 IJEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCCO2 1874581819 HZIJUIOTOJJIMF-ACCUITESSA-N 443.499 4.934 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cnc(C)cn1 1874711373 XZPZPWQCRDZCTH-SOFGYWHQSA-N 432.476 4.534 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C1CC1 1875114784 VLYCZHIBVSGBIF-RMKNXTFCSA-N 431.282 4.678 30 10 IJEE O=C(NCc1nnc(C(F)(F)F)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1F 1890455751 HPJVQLXDXZQKRY-UHFFFAOYSA-N 447.314 4.766 30 10 IJEE Cc1cc(OCC(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc(C)c1Cl 1891111396 HYECASBBMCSOSR-UHFFFAOYSA-N 425.834 4.553 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912150329 RPDRTKWXXZGFNA-VXKWHMMOSA-N 448.568 4.997 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(OC)cc1Br 1922066622 VJAJCHSJMZFLBW-FCHUYYIVSA-N 434.374 4.632 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCC1(C)C 1964767575 NBKQDYNJUUORPN-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE N#Cc1ccc(N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cc1Br 1998961618 AADXINLACOKCQF-INIZCTEOSA-N 442.235 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)C12CCC2 2076645317 AGYUNOORPVINJJ-MHECFPHRSA-N 449.592 4.618 30 10 IJEE CCCOc1ccc([C@H](C)n2nc(C(C)C)c(C=NO)c2I)cc1 2080057831 OXDHZORRJLAUNZ-ZDUSSCGKSA-N 441.313 4.817 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2111272653 MCRXJQZQEJRXHP-ROUUACIJSA-N 443.813 4.848 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)c1cc(Br)c(C#N)cc1F 2118196523 ITSGTOIOSYJSGU-UHFFFAOYSA-N 428.346 4.980 30 10 IJEE C[C@@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 2174811030 SWMAWQRETTUIFM-KGLIPLIRSA-N 440.357 4.980 30 10 IJEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1ccc(C#N)c(Br)c1F 2174813266 UERFAZRPONAWDJ-GXTWGEPZSA-N 440.357 4.978 30 10 IJEE C#CCCN(CC(C)(C)C)C(=O)c1cc(Br)ccc1I 2176161684 SFFWBLJNHXMWFM-UHFFFAOYSA-N 448.142 4.565 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224080204 MBYBCAIPBAHSEF-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CCC1CC(NC(=O)OC(C)(C)C)C1 2235723841 FHVBLDIRNPUXGG-AVAKVYKDSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Nc1cc(Br)cc(F)c1C#N)C2 2241107186 WRQYDOAFAXZGJR-SCTFDZSOSA-N 438.341 4.954 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2249346696 FNDVHSRMQQPZCM-MDVLNEHYSA-N 447.498 4.761 30 10 IJEE C=C1CC(COc2cc(Br)nc(C(C)(C)C)n2)(NC(=O)OC(C)(C)C)C1 2265359957 ZPIQFGCOUBSEAK-UHFFFAOYSA-N 426.355 4.529 30 10 IJEE C[C@H](Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)c1ccc(NC(=O)OC(C)(C)C)cc1 2266060810 MIEYEBYGXWJPLL-INIZCTEOSA-N 439.365 4.901 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 2296299697 YJYHOBVRHZWDHS-YZGWKJHDSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2304176099 MFWYNQHBKWHLTP-HZPDHXFCSA-N 434.541 4.606 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2306365330 PMIBKJBWURGXHW-TYBLODHISA-N 428.573 4.555 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c1)C2=O 2314527052 CAJYMKCBVMULTP-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3)cc2)cc1 2314548626 HVVZKVNIPWJANY-UHFFFAOYSA-N 431.517 4.635 30 10 IJEE CC(C)[C@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317356575 LHMAWKZEMXAKNY-HHNLSAEISA-N 431.386 4.687 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nncn1N=Cc1c(Cl)cccc1Cl 2321278615 YVKCCCLQMQOSLB-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C(C)(C)C)c1OCc1ccccc1Cl 2321908602 PUGVDCJYYXSQAL-UHFFFAOYSA-N 430.961 4.988 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C35C[C@H]6C[C@@H](CC(O)(C6)C3)C5)CO4)C2=O)cc1 2322224514 WVWXCQWKSIYKQK-YVXWMLCYSA-N 443.543 4.847 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OCC(C)C)cc1OC 2322350148 DGPCPZIADNHUHH-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2cc(C)ccc2OC)cccc1OC 2322649161 GJFYAUUVKWCHGV-UHFFFAOYSA-N 439.552 4.936 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2323118103 MPKDJDWRKFZLBD-UHFFFAOYSA-N 436.847 4.949 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1C 2323580485 XCJNLFQSWWULIZ-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1OC 2323680013 YBEJSONKGMOVRN-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc(O)c2CN(CCO)Cc1ccccc1 2324009919 GIZBGSKITXSBQS-UHFFFAOYSA-N 435.907 4.656 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)Nc1ccccc1Cl 2325717874 DUPSILIPOACAPM-UHFFFAOYSA-N 449.846 4.702 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(SCCCO)n2N=Cc2ccco2)cc1 2325861837 ZCOMKNYEISLFSB-UHFFFAOYSA-N 442.585 4.537 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2327579785 PERJSHDKVDTVKV-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1O 2328075421 SRLWJIAYBHVQLU-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1N=Cc1cccnc1 2328229810 QHLDUNGGLQVPNJ-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(C(=O)O)cc1 2328897238 NKYUEVNYSGHSRC-UHFFFAOYSA-N 436.537 4.723 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccn2C)cc1 2329278274 HRGIQYQLAUONES-UHFFFAOYSA-N 435.528 4.530 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(Cl)c1 2330303546 HKIUHPPDHSQECR-UHFFFAOYSA-N 434.993 4.982 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2330961520 IWEUOLOBGZSNKU-HXUWFJFHSA-N 437.525 4.829 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2330975452 LUBFRJOBUZGRSK-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331018147 ZIARFKHUKWJKBQ-UHFFFAOYSA-N 431.400 4.635 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccc(O)cc1 2331325430 YTNKXSCWUQWVAY-UHFFFAOYSA-N 437.569 4.502 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(F)cc1 2331512275 UDGRDLXGEXZJQK-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)c1 2339446553 OWKIHMKJSKSDDI-UHFFFAOYSA-N 435.333 4.948 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2360193994 DFXNKUBSWYWTHW-SXLOBPIMSA-N 433.390 4.638 30 10 IJEE C=CCC(CC=C)OC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2360215105 QTVKCQCTDMPJAP-SFHVURJKSA-N 438.362 4.949 30 10 IJEE CC[C@H](NC[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836042 JUPWHRAKEBXDCL-LSYYVWMOSA-N 448.460 4.939 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2364616434 AGWHPHKOCJIPKT-IEBWSBKVSA-N 439.394 4.805 30 10 IJEE CCOc1ccc(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)NC2CCCCC2)cc1 14156487 IGKOTSLTCRYDDI-UHFFFAOYSA-N 426.590 4.579 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 35444896 HNTDVKVWOMIUIB-XPXBXICFSA-N 425.484 4.613 30 10 IJEE C=CCc1ccccc1OCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21 40199050 ZMIVAXIGQZTKKP-UHFFFAOYSA-N 429.520 4.799 30 10 IJEE CCOc1c2c(c(CSc3nc(C)cc(C)c3C#N)c(OCC)c1OCC)C(=O)OC2 96336496 STUAAMYMWWCBOG-UHFFFAOYSA-N 442.537 4.729 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 104983182 CMAYANNPZMFRJI-FCHUYYIVSA-N 449.378 4.552 30 10 IJEE COc1cc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc(OC)c1OCc1ccccc1 169943449 NVQUCKRRJOHPND-FMCGGJTJSA-N 425.510 4.696 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)cc1 170016667 MGUAHJQRNAXXTK-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(OCC)c1 170149321 KABXZTQFAZBJAY-HSZRJFAPSA-N 431.488 4.932 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2)cc1 170224795 ASTIUHUIQOOTLQ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)c1 170281712 WJQZMXLFNFIXGW-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)cc1 170285387 FIMJSZDSTLOALR-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccco2)ccc1Cl 170297278 GYXDCWZFQNDZCS-IBGZPJMESA-N 449.850 4.601 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccncc1)c1ccccc1 170356724 NZDABVYEIJWXEU-IBGZPJMESA-N 440.377 4.763 30 10 IJEE CN(C)c1ccc(/C=N/N=C2/S/C(=C/c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 210654092 HGFFKCUITZYALW-AQNGZRBHSA-N 448.523 4.991 30 10 IJEE Cc1cc(C)c(NS(=O)(=O)c2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2)c(C)c1 252461142 KYTAZDXEQMFZQN-UHFFFAOYSA-N 439.493 4.777 30 10 IJEE C=CCOc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(C(=O)O)c3)N(C)C2=O)cc1 252636341 XHOFMZPBRFQJOW-ZCXLDBAHSA-N 428.897 4.837 30 10 IJEE N#C[C@@H](CNc1cc(I)ccc1Br)c1ccccc1 312006935 ZGLVNFOJQSKGMF-LBPRGKRZSA-N 427.083 4.773 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(OC)c(Br)c1)NCC 407059281 IGUDCFSTUCBHMG-MSOLQXFVSA-N 441.410 4.838 30 10 IJEE CCCc1c(NC(=O)N2CCC(Nc3nc(C)cs3)CC2)cnn1-c1cccc(C#N)c1 439663236 BPODPCIOOXKYIT-UHFFFAOYSA-N 449.584 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCO1 461141764 BWARAPYYTIXBOT-NRFANRHFSA-N 446.580 4.564 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(Cl)c1)c1nc(C(=O)OCC)cs1 479043675 QXINVZRZWBPNCR-UHFFFAOYSA-N 429.723 4.569 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 484541212 JGSSSGQHHYOBDJ-IBGZPJMESA-N 447.377 4.838 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCc3c(F)cccc32)nnc1-c1ccc(Cl)cc1 511602339 AJGKALKKAZKDRC-LJQANCHMSA-N 442.947 4.819 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(-c2ccc(OC)c(OC)c2)n1 609194084 IHSYKGNTLUNYDF-UHFFFAOYSA-N 425.510 4.924 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(Br)cc1F 689353031 XWLKSDBOOTYECY-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 698986978 LHZRIUZJUVDGCO-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1c(-c2ccc(F)cc2)noc1C 744694771 GWWDKEAOGQYGNO-HNNXBMFYSA-N 428.485 4.611 30 10 IJEE COc1cc([C@@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)ccc1OC1CCCC1 761655217 HXXOQURXTDDDBT-OAHLLOKOSA-N 427.476 4.941 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](c2ccccc2C)C[C@H]1C 809889834 MVMGMGXUGQLFTP-IRLDBZIGSA-N 445.567 4.581 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809912233 PBZFUZOCNMZWAJ-HHHXNRCGSA-N 439.563 4.518 30 10 IJEE COc1cccc(C(C)=NNc2nc(SCc3cccc(Br)c3)n[nH]2)c1 1083983396 IOBKEZZCROVVQY-UHFFFAOYSA-N 432.347 4.704 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCCC1(C)C 1128469261 OZPLBHVRPVVRGH-CTNGQTDRSA-N 429.630 4.532 30 10 IJEE C#C[C@@H](NC(=O)C1(c2cc(OC)cc(OC)c2)CCCC1)c1ccc(Br)cc1 1129731342 UCLLFVWCCVPPOC-OAQYLSRUSA-N 442.353 4.769 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCc1nc(C)no1)c1ccc(Br)cc1 1129731652 XROQPIZJWDXPDH-QGZVFWFLSA-N 442.338 4.537 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 1130165394 BQQCTBJNJKCZDJ-HOCLYGCPSA-N 449.860 4.653 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(Br)cc(I)c1C 1131588864 JIROGAAYBNDJMW-UHFFFAOYSA-N 436.131 4.837 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCc2ccccc2)cc1 1149500786 PQZFGFIIWSDHSA-NRFANRHFSA-N 444.959 4.918 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1160657531 SDUVHGCQDICSAM-UHFFFAOYSA-N 440.952 4.969 30 10 IJEE CCc1ccccc1N(C(C)=O)c1nc(Cn2cc(C#N)c3ccccc3c2=O)cs1 1166549514 DHJUUGLHEAFKHQ-UHFFFAOYSA-N 428.517 4.625 30 10 IJEE C=CCn1c(SCc2ncccc2C(=O)OC)nc2cc(-c3ccccc3)sc2c1=O 1188422947 GKLLRQUELJZAQN-UHFFFAOYSA-N 449.557 4.785 30 10 IJEE C#CCN(Cc1ccc(-n2ccnc2)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1191048723 SGFMGGJZSXOKLZ-JOCHJYFZSA-N 436.353 4.902 30 10 IJEE CCc1ccc([C@H](O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 1199524585 BTORZQIKAKCRFW-JOCHJYFZSA-N 431.492 4.777 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1c(Cl)cc(C)cc1Br 1208855350 PMFHVGXFPPGHGP-UHFFFAOYSA-N 428.779 4.830 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1230505412 QTAVVIBPMOGRPF-VQIMIIECSA-N 437.943 4.584 30 10 IJEE C#CCOc1cccc(OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c1 1265014990 YPKPUSUIBJXYIN-UHFFFAOYSA-N 438.483 4.708 30 10 IJEE COc1cccc(C(C)(C)CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 1266507523 AJRMHNDJNUNUJV-UHFFFAOYSA-N 439.987 4.921 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnc1C(C)(C)C 1286567476 QNNKRLGNCSJFFR-WIYYLYMNSA-N 439.560 4.634 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286591281 LLCDFIJRCVJPNS-JOCHJYFZSA-N 442.604 4.960 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)CCOCC2)CC1 1286640740 OHLXLLVJIIEECX-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)OC)CC1 1286664415 XJFFWXFJPAQKMS-AWEZNQCLSA-N 425.360 4.601 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CCN(CCC)CC1 1286718636 QZGWLKGDJSPAEP-SFHVURJKSA-N 427.662 4.876 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)[C@@H](C)CC 1286746731 DXKFVQAZLMUQFP-NSXLHWASSA-N 430.568 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cc(C)oc1C 1286747630 MGTWWJOWCAMQAV-XMMPIXPASA-N 449.580 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@@](C)(O)c1cc(C)oc1C 1286750028 LWNXGSZQLPPVCV-HSZRJFAPSA-N 426.586 4.602 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1nnc(C(C)(C)C)s1 1286760769 PTWYDVDYJMWPBX-UHFFFAOYSA-N 447.612 4.706 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC(CC)(CC)C1 1300347908 HAHGNHYAVLQBSU-UHFFFAOYSA-N 427.574 4.769 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CCSCC 1300832723 OSZQLHYESUAADQ-HNNXBMFYSA-N 434.407 4.693 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2nccs2)CC1 1301067195 XSQNHXKLTZFRNT-GOSISDBHSA-N 439.585 4.672 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cccnc2OCCC)CC1 1301127158 IFXSROLOVGIAEC-UHFFFAOYSA-N 447.583 4.512 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C 1301147586 GHBSKHQMADZHEJ-GOSISDBHSA-N 431.625 4.984 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1COCCO1 1301168011 JUZYSPQDIPONLB-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1301245590 GBJZFUMJNNKKPQ-JOCHJYFZSA-N 431.540 4.906 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnccc1OC)C1CC1 1301317038 NAEVAYSVDIJFOJ-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1301399468 ODUGPOBMPUUYBY-ILBGXUMGSA-N 447.627 4.970 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(SC)CCC2)C1 1301567778 YCVCMLZXSGTWDH-FQEVSTJZSA-N 442.629 4.541 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(OC(C)C)nc1 1305659752 HPIWLPFXHAFCNL-QHCPKHFHSA-N 444.583 4.790 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 1311362219 VWJQNRUQHOGLQZ-UHFFFAOYSA-N 427.548 4.814 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(Cl)cc1 1311955070 TXNZDOGANUOSEI-WOJBJXKFSA-N 433.980 4.787 30 10 IJEE C=CCOc1ccc(CNC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cc1 1312676329 YGVUZFGFHRDCFG-UHFFFAOYSA-N 445.894 4.910 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)c1ncc(C)s1 1358874505 XXHDAKSXDJUIQL-VYDXJSESSA-N 427.549 4.584 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@H](C)C1 1358939515 XYWXPZVGRWJSQH-QYZOEREBSA-N 430.980 4.573 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CCC(F)(F)CC1 1358968876 BESIPQXQGHCNSH-FQEVSTJZSA-N 440.538 4.933 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)c1ccccc1 1359138040 ICPAOQXZYRHAFT-UHFFFAOYSA-N 435.616 4.780 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(OC)CC1 1359190351 NAGRMNXYHAPTQL-RUZDIDTESA-N 436.604 4.514 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359212069 YWTYTJZSBJEFTF-OAQYLSRUSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(OC(F)F)c1 1359232536 XCOWVGFCBAQIBW-KRWDZBQOSA-N 443.498 4.702 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccnc(SC)c1 1359263313 XWYVYDVDZYABGA-UHFFFAOYSA-N 436.610 4.703 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1359265727 KWSDCRLUWSPEOV-CIAFKFPVSA-N 447.693 4.549 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCC1(F)F 1359278128 IYMSXMAKUIZSJJ-HXUWFJFHSA-N 441.526 4.918 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCC(C)CC1 1359926867 FFLRNHGRGZPJEJ-UHFFFAOYSA-N 447.631 4.924 30 10 IJEE C[C@H](Oc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1)c1ccccc1 1360123222 HYULVZTUZVYOCZ-SQJMNOBHSA-N 425.532 4.677 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1434952786 JTXQGVNDEXOERD-HSZRJFAPSA-N 436.552 4.615 30 10 IJEE C#C[C@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Br)cc1 1436651031 ILWULIYPQOZFHI-NRFANRHFSA-N 433.305 4.806 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1442546078 LXDJRBOOYKUDLE-UHFFFAOYSA-N 445.563 4.609 30 10 IJEE Cc1cc(Br)c(F)c(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 1455327879 PIDWRVCBUBZMFR-UHFFFAOYSA-N 426.135 4.595 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)cc(OC)c1OC 1458322070 HGAVNDGGNNSDKG-JLTOFOAXSA-N 448.357 4.701 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(Oc3ccc(OC)cc3)cc2)cc1 1461739259 WTYGOFXTABOQCK-UHFFFAOYSA-N 438.549 4.906 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1C(F)(F)F 1463899650 HHLOKCZFOSFELY-XJKSGUPXSA-N 428.863 4.845 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1nc2c(Br)cc(F)cc2s1 1467483349 SPPYVMSCWPAPMQ-UHFFFAOYSA-N 438.253 4.993 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 1468334527 XCAAQGFVNCVUEG-GOSISDBHSA-N 431.330 4.727 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1469389544 OXJLLCLNEPEKFE-LQWHRVPQSA-N 440.588 4.955 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O)c1ccc(F)c(F)c1 1469857829 YLBLPNDKVTXMST-YDFBLROQSA-N 445.485 4.773 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1470490604 MCNACYOSZJYXAK-KJJMTIBFSA-N 427.589 4.651 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(Oc2cccc3ccccc23)cc1 1475232257 GXARGEJZZJBOME-UHFFFAOYSA-N 444.512 4.991 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)cc1 1476572813 FEFJVRHSTRYGGU-UHFFFAOYSA-N 445.317 4.989 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC 1476697308 VTMYHVKELLPJBE-UHFFFAOYSA-N 440.931 4.902 30 10 IJEE CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1495451287 AUHLFOLYSDMZJD-QMHKHESXSA-N 438.482 4.608 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccccc2)CC1 1507748316 KACBAUZBPIWYHX-UHFFFAOYSA-N 438.000 4.744 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCCCCC1 1507781067 MCDCALYEUREDPE-UHFFFAOYSA-N 440.183 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1507801891 YTXDQFBIMPKEJR-JBPLPALLSA-N 441.645 4.740 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1507959520 QHRAQBUWBOJQJP-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccs2)CC1 1507959539 QNOIGEVNADLLMO-UHFFFAOYSA-N 444.004 4.579 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCN(CC)C1 1507974498 XSBKSHGFRPJBIM-QGZVFWFLSA-N 425.577 4.777 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1508164117 YTOFTPVYQCXZFW-CQGGRAHPSA-N 434.675 4.721 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1508168350 UVWCJVBPRNLTLF-QAPCUYQASA-N 449.418 4.528 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1516905288 DKIGFWFTKHLIQC-IBGZPJMESA-N 431.556 4.974 30 10 IJEE CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c2cccc(Cl)c21 1523935560 BFLVLRZRACEEIG-CQSZACIVSA-N 428.319 4.542 30 10 IJEE Cc1nc(SCC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c(C#N)c(C)c1C 1528181586 BLSGLRKQMOYAIW-UHFFFAOYSA-N 435.593 4.877 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 1528520854 ASZGMZUZOBDMOB-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 1536870102 ACJCBMYINKWBHE-UHFFFAOYSA-N 431.267 4.840 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1nc2c(s1)CCCC2 1539029443 IWQBPNSXXRSRLN-LJQANCHMSA-N 449.624 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2 1539668791 FVESVUPOLSNQDJ-UHFFFAOYSA-N 436.503 4.648 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2nccs2)CC1 1539971457 HMRBXYNTNFBCIV-UHFFFAOYSA-N 428.631 4.831 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC1CC(OCC)C1 1540053762 IVSDWACVNJTKBE-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCO[C@H]1C(C)C 1540153626 IYBNLEWFKXCQRX-QPPBQGQZSA-N 446.599 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccsc1Br 1540175062 WAVLVDLBQHKQIQ-UHFFFAOYSA-N 435.416 4.981 30 10 IJEE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1540502689 HEDKYVWWXIJFFM-QFIPXVFZSA-N 439.559 4.727 30 10 IJEE CC[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N1CCc2ccccc2C1 1540746537 AAVVTDIKKWQDFY-AREMUKBSSA-N 439.559 4.704 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C(C)(C)C)C1 1540881430 IYPWVRAFNPHHFN-NRFANRHFSA-N 431.584 4.749 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 1542456062 BWIXSZHUHYDKQW-UHFFFAOYSA-N 445.563 4.722 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(C)cc1OCC1CC1)c1ccc(Br)cc1 1564290767 NYBSTROOBSJZTG-FQEVSTJZSA-N 427.342 4.720 30 10 IJEE C=CC1(CC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)C1 1583275218 UADVNQVPKCYXAT-UHFFFAOYSA-N 442.506 4.984 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 1585624635 HDDNDFNJHYWCGT-HNNXBMFYSA-N 439.478 4.784 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCC2(CCCCC2)O1 1587562391 OOQQPBQWHHFHLC-XUVXKRRUSA-N 440.563 4.897 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CC(F)(F)CO1 1587575582 YJJVBSQBDSCQRK-STQMWFEESA-N 436.915 4.695 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](C)(CC)C1 1587818417 WFRPOZCVPQYWIE-OAQYLSRUSA-N 431.378 4.756 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1OC(F)F 1587932445 UKLVTTMEHUVESR-UHFFFAOYSA-N 442.535 4.995 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCS1 1588089266 HJWUHTPFVZARPX-HSZRJFAPSA-N 443.620 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)F 1589530177 SHMCOCXUTHQYPX-UWJYYQICSA-N 443.498 4.673 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCN2CC)CC1 1594193591 SBUWTFOPXQEXKE-GHTZIAJQSA-N 444.023 4.958 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1594454194 DGMSIJACSAGLIU-GOSISDBHSA-N 426.565 4.629 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1594499111 ZUBVLAYSZVDACW-FYYLOGMGSA-N 437.632 4.880 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nc(C)cs1 1594559063 CZKCXCXAGQMNMS-UHFFFAOYSA-N 439.585 4.712 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS1 1594559458 LLLDXENNBQHQAE-LJQANCHMSA-N 428.602 4.795 30 10 IJEE C#C[C@H](NC(=O)c1cccc(C(=O)N(CCC)CCC)c1)c1ccc(Br)cc1 1596984758 GMWYVVOEHXABEV-NRFANRHFSA-N 441.369 4.816 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 1597538318 MZWCTEZATCNYMZ-OAHLLOKOSA-N 436.961 4.624 30 10 IJEE CC(C)c1oc(-c2ccccc2)nc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1611456526 FTMIOIWSOHAAOC-UHFFFAOYSA-N 428.536 4.731 30 10 IJEE C=C(C)C(C)(C)C(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1617382808 OPACWLDCTVVMCA-MOPGFXCFSA-N 428.573 4.745 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(F)c(OC)c(F)c2OC)cc1OC 1620940951 JVVCMNFEUBUHQP-UHFFFAOYSA-N 444.272 4.930 30 10 IJEE C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1621247333 ABDCVYGLXFGMMA-JLTOFOAXSA-N 435.877 4.947 30 10 IJEE CC1(C)CN(CCNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCO1 1625677715 CFUDXDKZEATVIY-UHFFFAOYSA-N 444.988 4.595 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)OC)c2ccccc2c1)c1ccc(Br)cc1 1627158411 QMWSGBWWASZOQY-FQEVSTJZSA-N 437.293 4.885 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)CC1 1627250834 BCDQSAVECXQOQS-UHFFFAOYSA-N 434.971 4.963 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCO[C@H]1CCCc2ccccc21 1628106835 DDAMGVJBFVKMJI-QHCPKHFHSA-N 431.536 4.651 30 10 IJEE CC(C)Cc1ccc([C@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)N(C)C)cc1 1629215051 GPVLEEJBYLIROV-VWLOTQADSA-N 445.563 4.961 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(F)(F)C1 1632960025 XTYAAWWAXTXDAJ-JOCHJYFZSA-N 440.490 4.728 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1636890796 DMJXGAVXLXVTDM-SANMLTNESA-N 444.962 4.899 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C)c1ccccc1 1636978259 WYQHVZFMYFYAFM-KEEVHDRGSA-N 428.554 4.801 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1COc1cccc(C=O)c1)c1ccc(Br)cc1 1641517165 BXQGLIKYXRQWGW-QHCPKHFHSA-N 448.316 4.945 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1641631047 FXYLYBBFOCMGKY-JOCHJYFZSA-N 427.470 4.756 30 10 IJEE C=C(C)CN(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)Cc1ccc(CO)o1 1643056496 FOMVHKWFEHDLLA-UHFFFAOYSA-N 448.567 4.632 30 10 IJEE N#Cc1c(NC(=O)CN2CCCc3c(OC(F)F)cccc32)sc2c1CCCCC2 1645866924 FIJNGPMXCONCAO-UHFFFAOYSA-N 431.508 4.881 30 10 IJEE C#CCN(c1ccnc(Cc2ccccc2)n1)[C@H]1CCOc2ccc(Br)cc21 1651531487 YXPVFMNMFIGJPW-FQEVSTJZSA-N 434.337 4.793 30 10 IJEE N#Cc1ccc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(F)c1Br 1651586150 SGUZPNBIPUSKPO-JOCHJYFZSA-N 428.349 4.952 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ncc(Br)cc2C#N)[C@H](c2ccccc2)C1 1652332818 HGSZUYGQZQUYKB-ZWKOTPCHSA-N 443.345 4.531 30 10 IJEE CCOc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)c2ccccc2)cc1 1653599428 GDILJIUALXHMPD-JOCHJYFZSA-N 426.925 4.678 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 1653985301 KXITYCOKOKOWKF-UHFFFAOYSA-N 446.937 4.995 30 10 IJEE COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cccc(Cl)c1 1654638895 FMSFPVMDNSECEH-LIRRHRJNSA-N 431.989 4.704 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1657163761 UKAPDYOHBORPBX-JOCHJYFZSA-N 447.406 4.947 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(CC/C=C\c2ccc(Br)cc2)CC1 1658215261 GEQSWQVRIFWCNC-IYNIFRKCSA-N 428.349 4.874 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 1661755760 AUWDFTCXOUBPCR-IBGZPJMESA-N 426.435 4.926 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc([C@]3(CC)CCC(=O)NC3=O)cc2)cc1OC 1661763992 CYUAZTXHERSIBT-DEOSSOPVSA-N 442.943 4.610 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(/C=C\c2ccco2)s1)c1ccc(Br)cc1 1663571677 YYXIUXJPGOMIEQ-FJVVXJACSA-N 429.299 4.560 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCCc2ccc(Br)cc2Cl)cc1 1663605947 AOXGVJGLGFACIZ-UHFFFAOYSA-N 428.779 4.742 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CC(C)(C)c3ccc(Br)cc32)cc1 1666222563 LOJGGNZMHFAMGP-UHFFFAOYSA-N 428.330 4.695 30 10 IJEE N#Cc1cc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)ccc1Oc1ccccc1 1671067312 FJTWNJGSFNISMZ-UHFFFAOYSA-N 427.439 4.997 30 10 IJEE C#Cc1ccc(NC(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c(Cl)c1 1673382324 YWLRDIIXINFIFT-GOSISDBHSA-N 445.268 4.975 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)cc1Cl 1673458182 DRJMEVGIWRWTIW-PZJWPPBQSA-N 439.943 4.533 30 10 IJEE N#Cc1nc(NC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)ccc1Br 1673983592 GFSVPJOGGLAHGD-GOSISDBHSA-N 442.704 4.675 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1)c1ccc(Cl)cc1F 1674036398 OWIFGDURJIVLMU-QHCPKHFHSA-N 436.918 4.972 30 10 IJEE N#Cc1ccc(CN(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)C2CC2)cc1 1674043360 GRDIFBKBPVOLQQ-JOCHJYFZSA-N 440.950 4.862 30 10 IJEE C#CCN(C(=O)NCCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCOc2ccc(Br)cc21 1674376019 HGJICDPKEVZFED-PWIZWCRZSA-N 449.389 4.513 30 10 IJEE C#CCN(C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C1CCN(C)CC1 1679744888 POAMOOCJRHUZKW-UHFFFAOYSA-N 445.485 4.737 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CC)(N2CCCCC2)CC1)c1ccc(Br)cc1 1683512831 RETHVSJDXYIBJB-HXUWFJFHSA-N 432.406 4.564 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1cccs1 1690032410 ATUDMUWYMDCSAQ-OAQYLSRUSA-N 432.593 4.802 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCN1CCCC[C@@H]1CC 1690088372 JNDXOYMTNXVEBS-OFNKIYASSA-N 425.596 4.835 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC1CC1 1690241350 RERCFIMETBKAMG-DYESRHJHSA-N 430.980 4.825 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCCCC2)CC1 1690396844 NUZNRDVTUGKYDJ-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690455437 IXZQPGINDSLILS-SFHVURJKSA-N 445.398 4.785 30 10 IJEE C=CCCCCn1c(CC)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1690464694 IPBSNRINXBUSDO-QGZVFWFLSA-N 441.567 4.668 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1C 1690601915 FGOAWZWUXTYFKD-IRLDBZIGSA-N 444.583 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)c2ncc(C)s2)C1 1690694942 YAEZBNQGYLPZTO-WBVHZDCISA-N 444.004 4.948 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1csc(CC)n1 1705477807 SCJAOXVMSPXJJV-HZPDHXFCSA-N 444.004 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCc1sccc1C 1705487159 SXJJGXKXXAHRPL-OAHLLOKOSA-N 429.387 4.778 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2cccc(Br)c2C1 1705515479 FPQIHXIRQIEOPM-FQEVSTJZSA-N 443.389 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCc1ccc(Br)s1 1705545136 QIQRZZMKQXNTGO-UHFFFAOYSA-N 441.354 4.827 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCCN1CC 1705546104 AHCLNMIHUODPQV-INIZCTEOSA-N 428.005 4.757 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CCCC2)C1 1705654270 BIUUTMKIKRCFOI-UHFFFAOYSA-N 445.430 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)OC1CCCC1 1705697797 NWLPNDUWBMYHEH-HMFYCAOWSA-N 444.551 4.849 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C(F)(F)F)CC1 1705728802 XVQIHUPJTGMFRW-INIZCTEOSA-N 441.498 4.625 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1705798570 WCQDSMMQHYDUPY-OZXSUGGESA-N 443.599 4.630 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC12CCOCC2 1705869701 BMBOXAQCEDXUFG-RTBURBONSA-N 426.536 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1705872520 ALNYSQOHNAPHSF-LEWJYISDSA-N 430.600 4.792 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1cccc(F)c1 1705948244 MSMOQASNZFMQKX-OAQYLSRUSA-N 440.592 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@@H]1C(C)C 1722282866 PFBVBKBCYFOLHI-CSODHUTKSA-N 430.980 4.516 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1722308287 JXSJEDWSCFVPNH-PGRDOPGGSA-N 438.503 4.532 30 10 IJEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1ccsc1)N(CC)CC 1722350379 XTHSPAQTGBFKLY-JOCHJYFZSA-N 432.597 4.640 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCCC(F)(F)F 1722355799 DRJHJOZJVNXFMP-UHFFFAOYSA-N 428.886 4.663 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1Cc1cnn(CC(C)C)c1C 1722422378 RDIVAWKZAGPZIQ-UHFFFAOYSA-N 448.590 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1722499939 NWQRDUGVAJGIIW-JOCHJYFZSA-N 425.621 4.824 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1722523635 DHWLPWKOHPHUOI-HXUWFJFHSA-N 439.604 4.685 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCCO1 1722546069 FVFUADWLMMMFJY-HXUWFJFHSA-N 425.964 4.720 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1722569986 REDDTBRJSXFQEH-HXUWFJFHSA-N 444.023 4.931 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)C2CC2)CC1 1722576056 IHQYNGZTMIZSGY-JOCHJYFZSA-N 445.405 4.579 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1722585680 FYOUWHGBDKQBNZ-GOSISDBHSA-N 425.968 4.671 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1722596787 NIAQRWYOPWMZJF-ZCYQVOJMSA-N 445.611 4.877 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(Cl)cccc2C1 1722624712 FOPDLYGHQRODMY-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@H]1CCCN(CC(C)C)C1 1722659906 GVJKAQBYWZUBAV-HXUWFJFHSA-N 425.596 4.855 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCN(C(C)=O)C1 1722667539 FAQDZJAAPIJDDC-QGZVFWFLSA-N 448.398 4.689 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCC[C@@H]21 1722733875 PTWFTVTZLBZEBZ-AEFFLSMTSA-N 433.419 4.924 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCCC1(C)C 1723390006 AEJBAAFBAXGUBV-VWLOTQADSA-N 441.595 4.715 30 10 IJEE Cc1ccc(Cn2c(CC3CC3)nnc2N2CCC[C@@](C)(C#N)C2)c(OCC(F)(F)F)c1 1724364543 BNFKXQMDDHNWKR-QFIPXVFZSA-N 447.505 4.659 30 10 IJEE CC[C@H](C)[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1)OC 1726858402 AULMICUABDMQMP-RXVVDRJESA-N 427.618 4.680 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1740585695 ZVTFPDLNFFVVEN-MRXNPFEDSA-N 427.911 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(CCC#N)CCC(C)C 1740757778 XJTKENOKTPPJGH-UGKGYDQZSA-N 425.552 4.832 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1740759670 KGYQXIGPAUNWNC-LEDOBFOHSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCc1ccccc1F 1740776496 XOXYNUHVUANGGN-UHFFFAOYSA-N 432.547 4.691 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740779229 VZFRFDAJRVTDRP-RTBURBONSA-N 444.023 4.958 30 10 IJEE C=C(C)Cn1c(N(C)Cc2cccc(Cl)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740785155 MTEFAHBKLDYIRH-IZAXUBKRSA-N 445.995 4.915 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCOC1 1740844312 XWNBJXPMRLQDJM-HXUWFJFHSA-N 439.604 4.612 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(C)C)C1 1740876542 UFMLUKJMEUIPHJ-FQEVSTJZSA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCCC[C@@H]1CC 1740894279 OQBIYZQCOKKEMN-HNNXBMFYSA-N 438.439 4.656 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2CCCC2)C1 1740974263 KOKPORKMWRAZPL-IBGZPJMESA-N 431.378 4.679 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(OC)CCC(C)CC2)C1 1740977345 GDVIPSPNTIPDJJ-IQJRZOLZSA-N 445.007 4.975 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1740997328 YJTGOOGNFVPZGF-HTAPYJJXSA-N 448.633 4.810 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)c(C)n1 1745483548 GRIUEUZETHRKMF-LJQANCHMSA-N 443.555 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1CCC[C@H](C)C1 1748656528 SBOMIBWKNSXOBC-ROUUACIJSA-N 444.023 4.576 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1748731283 ZDSKNHNMULKXBG-SSGKUCQKSA-N 442.648 4.643 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1749072346 LTQBMOFIBKICBC-KBMIEXCESA-N 443.636 4.648 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749118987 LYEFBYCNVOOJRD-IZIIKQMZSA-N 449.599 4.692 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OCCC)CC1 1749125776 XVMCGAMTNIEKFR-VIZSFHNOSA-N 442.579 4.851 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1749383551 ZTKQHSJQDNLBIB-RZUBCFFCSA-N 444.583 4.768 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1749397253 RWLWQGISMDNKAQ-HXUWFJFHSA-N 434.588 4.521 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CC1(OC)CCC(C)CC1 1749587194 KZRUIEVSJHBLLV-UHFFFAOYSA-N 435.572 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](SC)C(C)(C)C)C1 1749717478 LJWSEVJMROPZNK-RTWAWAEBSA-N 444.645 4.725 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCOc2cccc(Cl)c2)C1 1749718359 VHSZSMBGPMNPIG-NRFANRHFSA-N 430.980 4.525 30 10 IJEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCc1cccs1 1750733127 GGQBSEAPINOWCA-UHFFFAOYSA-N 435.597 4.700 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](COC)C1 1760132823 SLHVXGBRILSKCE-SFHVURJKSA-N 445.405 4.682 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1C1CC1 1760228180 WZVUUUGIBVPAND-GHTZIAJQSA-N 442.007 4.548 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(SC)CCC1 1760247049 NABIQVFBDNSCKM-UHFFFAOYSA-N 439.412 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1760322428 SOCZGBBYPLISCO-VFSLUADLSA-N 444.645 4.876 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1ccsc1 1760324269 JJACRMCRIRLLQI-REWPJTCUSA-N 438.597 4.557 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2cccc(OC(C)C)c2)nnc1C(C)(C)C 1760328647 ZBAMAKBJXQSZRH-IFMALSPDSA-N 426.605 4.980 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1c(C)nn(C)c1C 1760329677 HJPSSYJOHWTUGR-UHFFFAOYSA-N 429.572 4.603 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760369992 DQWDKKOAAMKRDC-MOPGFXCFSA-N 446.979 4.643 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1Cc1cccs1 1760380242 WPDCNERYZPMQQR-QGZVFWFLSA-N 444.988 4.891 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2c(C)noc2C)CC1 1760384566 CLUSMNYHSPPVJF-UHFFFAOYSA-N 442.361 4.826 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCSC(F)(F)F)CC1 1760392594 WIZKFVIMTVEWLP-UHFFFAOYSA-N 432.899 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1760410782 QNLRLFUSYVWOGM-HSZRJFAPSA-N 447.583 4.747 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1760424925 ZRNABSFSERQKKR-UHFFFAOYSA-N 431.584 4.579 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@H]1C(C)C 1760478024 RSRMMPRVAOWCDQ-QPPBQGQZSA-N 449.599 4.926 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(F)(F)c2ccccc2)C1 1760537887 SOMXCYUZIDHNFO-GOSISDBHSA-N 445.901 4.567 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1CC1(C)Cc2ccccc2C1 1761076488 CCFLIPSQYJZNGJ-UHFFFAOYSA-N 428.584 4.911 30 10 IJEE C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1)Oc1ccc(Cl)cc1 1761398428 DLJLZKIGWBBERO-SBUREZEXSA-N 438.963 4.535 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C)CCCC2)cc1 1766023769 AXNBCAFOIAZUGC-UUOWRZLLSA-N 441.551 4.839 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@@H](C)CC#N)cs1 1769550090 DJNFUXKNYHFDCU-STQMWFEESA-N 448.955 4.688 30 10 IJEE COC1CCC(CCn2c(Cc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1770567756 HVOJICHLQBMYOO-AJPKXHFHSA-N 439.579 4.733 30 10 IJEE COc1ccc2nc(SCC(=O)Nc3cc(C)c(Cl)cc3OC)c(C#N)cc2c1 1858204853 WROMAMRMMJUOQP-UHFFFAOYSA-N 427.913 4.816 30 10 IJEE COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(F)cc2)c1 1859403988 OUWQSONREHKMNM-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1862435673 BMNBHAXRRPPLPP-LJQANCHMSA-N 426.856 4.769 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446224 NEWJAISNKLBTGA-HNAYVOBHSA-N 432.303 4.751 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(O)cc1 1862523271 DIMIFXOVNFNETD-LJQANCHMSA-N 444.325 4.923 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2F)cc1OC 1862572809 NCFNYKZZNPQVGY-OAQYLSRUSA-N 443.446 4.503 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CC)ccc1O 1862585835 FQBWCQWASWGXIQ-SFHVURJKSA-N 436.291 4.696 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862593472 IDOVNCOAZAHQGT-QRQCRPRQSA-N 444.443 4.640 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1F 1862638998 OOWVTXOOLHIMQY-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1 1862652263 GYZBWSUIFJTMDG-QFIPXVFZSA-N 429.472 4.613 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 1862705242 SXJVECPJEXRPNH-FYYLOGMGSA-N 449.547 4.750 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862859443 OFNYZPYGHFQPEH-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885013 HUXZPQOXCRUDAQ-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(N(C)C)cc3)C2=O)c1 1863026133 YAKUNRGJELXLKP-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4cccnc34)C2=O)ccc1F 1863084484 PLQKRMVBBGYTPH-UHFFFAOYSA-N 448.457 4.951 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1863666323 YFCHJIDDJJWIBI-JOCHJYFZSA-N 442.600 4.684 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1cccc2ccccc12 1865131210 JTRTYRRMSSOHKG-HSZRJFAPSA-N 442.563 4.650 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@H]1c1ccc(C(C)C)cc1 1865159594 XREVJCWJXLDVTE-JOCHJYFZSA-N 448.611 4.874 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)C 1868712930 JUTKOBQNOYAMKF-RUZDIDTESA-N 440.534 4.828 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc(-n2cccc2)cc1 1870111901 HMUNRLRVEZGBGY-UHFFFAOYSA-N 437.290 4.548 30 10 IJEE C=CCn1cc(OCC(C)C)c(=O)cc1CSc1nc2ccc(OC(F)F)cc2[nH]1 1870258906 HICHDAOVPRJUJK-UHFFFAOYSA-N 435.496 4.839 30 10 IJEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(Br)c(C)c2)cc1=O 1870811680 GQJDFAQAIVNJRN-UHFFFAOYSA-N 429.314 4.737 30 10 IJEE N#Cc1ccc(COc2cn(C[C@@H]3CCCO3)c(CNc3ccc(Cl)cc3)cc2=O)cc1 1871251869 APNZKHIKKKBJSN-QHCPKHFHSA-N 449.938 4.743 30 10 IJEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(OC)cc1OC)C2=O 1871394379 UORPHLWVVDTAJQ-XKZIYDEJSA-N 425.525 4.956 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)ccc3C2=O)o1 1871433614 IJCMPLXLXALMOJ-NKVSQWTQSA-N 435.388 4.558 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)o1 1871438511 CCKRWLFFBGIORB-KSEXSDGBSA-N 429.428 4.753 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)s1 1871444289 WNWHOZQONXVJRD-VUQQOUJSSA-N 449.532 4.740 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1cccs1 1872422676 IAEJGSHCNGKJAN-IBGZPJMESA-N 441.018 4.940 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(OC)c1)n2Cc1ccco1 1873662453 LWIBGLWMLNBGCI-UHFFFAOYSA-N 443.507 4.512 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc(F)c1 1874241004 KCQOYGFTMZZQFJ-ZMOGYAJESA-N 426.517 4.945 30 10 IJEE OCCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874269478 XWBXSWRGWHKOJN-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(O)c(OCC)c1 1874313828 PMDHIFNGBGCHGI-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccccc1C(=O)O 1874327701 XARPYCNUIPJVMS-WYMPLXKRSA-N 436.537 4.723 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccccc2)cc1 1874383160 BOIVEBWWIIWOIH-BUVRLJJBSA-N 445.504 4.940 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874390256 CWBAVILTNHSGFH-YDZHTSKRSA-N 435.380 4.841 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874402489 CRGZZGBEUHGRML-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1OC(C)C 1874524695 BFNCXMRZLRXTCC-LPYMAVHISA-N 425.514 4.710 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc2c(c1)OCCO2 1874525869 JVSLLTIPKNKXJS-MFKUBSTISA-N 430.533 4.939 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCCCO)c(C)c1C 1874586320 HTRGODFKZHPLND-SOFGYWHQSA-N 449.341 4.740 30 10 IJEE O=C(/C=C/c1ccc(OCCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1874620878 YJRWQCMJBROCOU-RMKNXTFCSA-N 431.444 4.884 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3)c2)c1 1874704389 MTFJJKOSLSTINE-FMIVXFBMSA-N 448.471 4.593 30 10 IJEE N#Cc1cccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3C(F)(F)F)CC2)c1 1890023843 IMFYUEVYDSMMJC-UHFFFAOYSA-N 427.348 4.558 30 10 IJEE CN(CC1CCN(C(=O)CCc2cc(Cl)ccc2Cl)CC1)c1ncccc1C#N 1890111117 JGFHAXTWTKWCKD-UHFFFAOYSA-N 431.367 4.568 30 10 IJEE C#C[C@@H]1N(C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1(C)C 1899917060 YKXPROKSQMROKR-RPBOFIJWSA-N 444.575 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cc(Br)ccc1OC 1922106359 CDMMMSIOJALFEO-YADHBBJMSA-N 434.374 4.632 30 10 IJEE C=C(CNC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1)B1OC(C)(C)C(C)(C)O1 2020853475 RCEDHTOFHGOIHU-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2033307192 PDLAXIIDVQEHIK-POAQFYNOSA-N 445.560 4.974 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C12CCOC(CNC(=O)OC(C)(C)C)(C1)C2 2058959382 TUUACMDMTBJLEM-IKJWCUOUSA-N 444.616 4.592 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1)c1cccc(Br)c1 2072712730 PKOQRWNBMFMYAK-FQEVSTJZSA-N 449.304 4.623 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1Nc1cc(Br)cc(C#N)c1 2162300788 JBKVIOYPCRXEPD-MOPGFXCFSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2cc(Br)c(C#N)cc2F)CC1 2163262079 OKHFJTXQEZDLSP-MRXNPFEDSA-N 444.320 4.857 30 10 IJEE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)cc(F)c1C#N)C2 2163706207 OGMFWJXYRWBDOQ-FGZHOGPDSA-N 428.349 4.808 30 10 IJEE C=C1C[C@@H]2CCC[C@H](C1)N2C(=O)c1cc(Br)ccc1I 2173983352 BTDDMNVNQVQOOT-BETUJISGSA-N 446.126 4.767 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1 2180046221 UERJDLIHESLEMM-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(Br)ccc1C#N 2181053506 MIQMTZOFPSOGHX-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)OC1(C)C 2194121144 RSNNPODSKMSHIF-ORAYPTAESA-N 440.574 4.801 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3cc(Br)ccc3Cl)c2)OC1(C)C 2199711584 QNNUOPSQCSIOGT-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C=CCC1(C(=O)NCc2sc(C)c(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2229406143 NESITCILWKJFBG-UHFFFAOYSA-N 443.407 4.557 30 10 IJEE C[C@@H](Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)c1ccc(NC(=O)OC(C)(C)C)cc1 2266741441 AMQPCSFIPDOFPO-MRXNPFEDSA-N 439.365 4.901 30 10 IJEE CC1(C)OB(C2(C(=O)N3CC[C@@]4(CCCN(Cc5ccccc5)C4)C3)CCC2)OC1(C)C 2266992795 VTYGZNMGHXLFIZ-RUZDIDTESA-N 438.421 4.518 30 10 IJEE CCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C#Cc1cccc(Br)c1 2296283912 LSSGYPQAAULOIR-QUCCMNQESA-N 435.406 4.816 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)c1 2296866036 SPMRVLVUXYVXKS-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 2296933647 ZHRNKKDBIKBEBO-QHCPKHFHSA-N 443.430 4.706 30 10 IJEE COc1ccc(C=C2c3cc([N+](=O)[O-])cc(C#N)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 2297462578 MZGIFQDMJPFZCL-UHFFFAOYSA-N 444.359 4.861 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1c[nH]c2ccccc12 2321059131 FCMFZHVKCSONJQ-UHFFFAOYSA-N 432.553 4.552 30 10 IJEE CCCOc1ccccc1C=Nn1c(C)nnc1SCC(=O)Nc1ccc(C)cc1C 2321199988 VTKYCXGKRWAFQS-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C=NNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 2323379168 RDLRGTXGEMSQGG-UHFFFAOYSA-N 435.593 4.951 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])Nc1nccs1 2323791155 VACZPYWATKMSEW-UHFFFAOYSA-N 443.868 4.618 30 10 IJEE NC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 2323886442 ABBJWCDEWCURPI-UHFFFAOYSA-N 429.097 4.516 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)CCc4cccs4)c3C)C2=O)cc1 2323979059 XWWWTGGQTQWQIQ-UHFFFAOYSA-N 448.496 4.998 30 10 IJEE C(=Nn1c(CCOc2ccccc2)nnc1SCCc1ccccc1)c1cccnc1 2329200244 NBZSZQMZMJQLJG-UHFFFAOYSA-N 429.549 4.512 30 10 IJEE CCOc1ccc(C=CC(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)cc1 2329395310 DCQCHVUTKIICPZ-UHFFFAOYSA-N 441.487 4.897 30 10 IJEE CCCOc1ccc(C=Nn2c(CCc3ccccc3C)nnc2SCCCO)cc1 2329509216 QOYFUSPESOMUCB-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1F 2330684578 ATHFCKNKZSGDLD-UHFFFAOYSA-N 439.560 4.707 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1O 2330965768 LBPXPVHNILMWKA-LJQANCHMSA-N 444.944 4.672 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2330975621 GXDAXCFVKLBQPS-UHFFFAOYSA-N 439.464 4.994 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1O 2330994356 QOLOYIGURKNYIW-GOSISDBHSA-N 444.944 4.672 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccccc1 2331175086 QXXOXFLLIZGAHC-UHFFFAOYSA-N 431.521 4.714 30 10 IJEE Cc1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2-c2ccco2)cc1 2331222329 FOFRFOHNSOKYKH-UHFFFAOYSA-N 442.504 4.670 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc(Cl)c1 2331339834 BNLWPXBRIOGVAY-UHFFFAOYSA-N 434.009 4.697 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2)cc1C 2331675943 SZSIJPCDWRBFTJ-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2F)c1 2331685484 MKYBSRLQHJDWNH-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2337522203 ZQZFEVRGSBPVHV-MSOLQXFVSA-N 425.367 4.720 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H](CN(c3cc(Br)ccc3C#N)C1)C2 2357628813 NPWXLAIXULRYCQ-YCRPNKLZSA-N 434.378 4.842 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CC[C@@]1(C)NC(=O)OC(C)(C)C 2360196919 ARBJLSPYSZOAJS-VLCRHTCISA-N 435.406 4.862 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10373995 KTMPWJOOIXNGCT-UHFFFAOYSA-N 425.337 4.608 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)cc1CN1CCCC1 11331335 CVHXPCWMXZLRLU-VQHVLOKHSA-N 432.442 4.688 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(Cl)cc2Cl)NCc2ccco2)n1 14157296 BDMXSYKYVFEWGM-UHFFFAOYSA-N 449.367 4.948 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2 14461777 UIZAOZGOVAMMNK-FBLLAGFSSA-N 437.609 4.824 30 10 IJEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N\c1ccccc1C(=O)O 16928644 CBKNBPWZRUSJFE-RDTAYAABSA-N 443.322 4.937 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)C2CC2)nc2scc(-c3ccc(C)cc3)c2c1=O 18349470 WWDQVUAQIHLBCX-HNNXBMFYSA-N 439.606 4.626 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccccc3O)n2)cc1 20832422 HHXPZJCFCBYWFA-FVQJWRHTSA-N 438.557 4.591 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccc3O)n2)cc1 59830315 BLQMXGWNDDLXBI-WKZBPUGBSA-N 438.557 4.591 30 10 IJEE C/C(=N\Nc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccccc1O 59830596 IVQFIWNWZSFMRX-CVKSISIWSA-N 446.536 4.621 30 10 IJEE CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1C 96843740 UUHYQSHSRLZFBI-KHPPLWFESA-N 429.879 4.991 30 10 IJEE C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)OC)cc3)N(C)C2=O)cc1Cl 100937861 OJSWLJPQIFIXAE-ZOVWXIRQSA-N 442.924 4.925 30 10 IJEE CCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3)N(CC)C2=O)cc1 102406617 GROKCKCBMCEKEA-JQBIEYAESA-N 431.945 4.719 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)c1 102702816 YCZYTDVJXHBUDS-FEYWKWKCSA-N 428.488 4.840 30 10 IJEE COc1ccccc1[C@H]1/C(=C(/O)c2ccc3ccccc3c2)C(=O)C(=O)N1c1cc(C)on1 102728458 WQHCTEIBJMKBRV-FEYWKWKCSA-N 440.455 4.771 30 10 IJEE O=C(C[C@@H](/N=C\c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 103279864 UATKMMKWSZSPTD-LIQPLZLLSA-N 444.658 4.934 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(O)cc1 169961930 HLFAFCXSLNYIBK-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccs2)c1 169989782 CYIHVWNWYHOEJM-HXUWFJFHSA-N 445.500 4.806 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2CCC[C@@H](CO)C2)C1=O 170017682 XJEFPOPXKDCCDW-LJQANCHMSA-N 432.630 4.673 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170096958 YGZGHLGUDSDMMU-HSZRJFAPSA-N 442.471 4.938 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)cc1C(C)(C)C 170181947 WGSKPGOKQMGUGF-JOCHJYFZSA-N 434.536 4.909 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170183114 DABJCRSPDUXFRL-QFIPXVFZSA-N 430.529 4.800 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)c1 170218842 JMUFDJJMCCJXQB-GYCJOSAFSA-N 447.531 4.930 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(O)c2)cc1Cl 170261820 ZNXUWAKFFDQORG-NRFANRHFSA-N 441.911 4.965 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306162 UKDGLLVNXVHVSC-LJQANCHMSA-N 440.358 4.557 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2sccc2C)cc1 170313285 BFCDMSGHEWEZNA-HXUWFJFHSA-N 443.565 4.849 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1sccc1C 170316445 IKTBQJUHXLOHGI-GOSISDBHSA-N 427.453 4.576 30 10 IJEE CN(C)c1ccc([C@H]2C[C@]3(C)[C@H](CC[C@@]3(O)/C=C\CO)[C@H]3CCC4=CC(=O)CCC4=C23)cc1 256073369 RCOWGILQXUPXEW-YMJWWNEASA-N 447.619 4.932 30 10 IJEE CCOc1ccc(C(=O)N2CCC(Nc3c(C#N)cnc4ccc(Cl)cc34)CC2)cc1 301368224 TXCVKKYQGKOMBZ-UHFFFAOYSA-N 434.927 4.875 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCC 407841323 ZKZFETFATKHRLQ-DLBZAZTESA-N 429.374 4.968 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 437032599 LVBIYQNARCJTHJ-QGPMSJSTSA-N 427.957 4.735 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCCCO1 461865166 JIFCPLUKWPMMBS-KNQAVFIVSA-N 436.581 4.778 30 10 IJEE N#C[C@H](NC(=O)c1c(Br)cccc1Br)c1ccc(Cl)cc1 462547105 HUJUREIPLLNXLT-ZDUSSCGKSA-N 428.511 4.860 30 10 IJEE COc1cccc(-c2ccc(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)c1 466142915 XYWLYSASXVLRIA-UHFFFAOYSA-N 442.563 4.507 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 479552484 NTVNNCGMSNTWJD-UHFFFAOYSA-N 433.577 4.574 30 10 IJEE COc1ccc(CCCNC(=O)c2cccc(COc3ccccc3C#N)c2)cc1OC 513239514 ZHBDXDPDOIGCDK-UHFFFAOYSA-N 430.504 4.517 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 520167721 RVYYNFKWVCGPGO-UHFFFAOYSA-N 429.792 4.547 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 549690841 KXRUZOMVFWXPQO-GOHWNWGWSA-N 432.568 4.837 30 10 IJEE CC1(C#N)CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cccs2)CC1 571303107 YQLWYDWEBDEDPG-UHFFFAOYSA-N 427.961 4.750 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 571364507 ATBOCMBTHVXILI-GMAHTHKFSA-N 445.523 4.787 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 582075083 HBHXXUAZBGWDGZ-MRXNPFEDSA-N 427.549 4.974 30 10 IJEE CCCc1c(NC(=O)Nc2ccc(OC)nc2C(F)(F)F)cnn1-c1cccc(C#N)c1 619798752 ZPYVFVPXBOHWGW-UHFFFAOYSA-N 444.417 4.763 30 10 IJEE N#Cc1ccc(OC2CCN(Cn3[nH]c(-c4ccc(Cl)cc4)nc3=S)CC2)cc1 728903676 STHXREWXUKKECO-UHFFFAOYSA-N 425.945 4.634 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)COc1ccc(Br)cc1Cl 735340604 TXPWFIMZVKLNGT-UHFFFAOYSA-N 445.096 4.780 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 745234788 XFTSQVQHJFLANE-LDQXTDLNSA-N 426.463 4.564 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccncc1 745827222 HOKOIHSEVVCIML-RTBURBONSA-N 447.320 4.850 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@@H]1c1cnc(-c2ccncc2)s1 753386451 ALKYVYNHZQEWJF-OAQYLSRUSA-N 448.523 4.821 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1)c1ccccc1 757057346 GLMOILQKKTWUJZ-DQEYMECFSA-N 425.532 4.508 30 10 IJEE COc1ccc([C@@H](NCc2cc(C#N)ccc2F)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 774254335 QFVYVXOIYSLSAW-DHIUTWEWSA-N 439.531 4.936 30 10 IJEE CCOc1ccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC)cc1 799220917 FTUXHLXEIJGDIC-HXUWFJFHSA-N 425.554 4.682 30 10 IJEE Cc1cc(C)c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1Br 1125932006 DAZPJCASRFERQO-UHFFFAOYSA-N 427.342 4.930 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)s1 1127869602 AUIQERJTHDXIBO-LBPRGKRZSA-N 427.039 4.976 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)cc1 1127956467 ZLYKHXIFSYOHPD-OAQYLSRUSA-N 430.342 4.894 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1129663543 GMTUHUFDFDEXQK-NFBKMPQASA-N 436.552 4.661 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC)[C@H](C)CC)c1 1130882567 JEPMAUPZGRBTPB-QGZVFWFLSA-N 434.989 4.982 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccccc1 1134861560 BAOMREGNHAZYTL-PMERELPUSA-N 443.956 4.937 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H]2c2ccccc2Br)CN(C(=O)OC(C)(C)C)C1 1149759621 VMBDHSULZZRSJC-GOSISDBHSA-N 449.389 4.926 30 10 IJEE C=CCN(Cc1ccccc1F)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 1167137558 AOAUKLRVPWQDNK-MRXNPFEDSA-N 425.529 4.973 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)CCC3CCOCC3)c2C#N)C1 1167704979 FTWCQZIPBQMSEZ-SFHVURJKSA-N 431.646 4.848 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1OC 1181120510 NIOBMDWOOSHYBV-GXDHUFHOSA-N 438.524 4.937 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccc(Cl)cc2)nn1C 1263291468 XNPWHPFYYWGWFB-IBGZPJMESA-N 434.927 4.826 30 10 IJEE C#CCOc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)cc1 1265135050 SIBVFGZQSGQFCQ-UHFFFAOYSA-N 428.319 4.989 30 10 IJEE C#C[C@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccc(Br)cc1 1275474430 OJCLBAYUEKAAKY-QFIPXVFZSA-N 447.332 4.830 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccccc2C)nc1-c1ccc(CC)cc1)C1CCOCC1 1280094617 BXOHBLXPAHLJHW-XMMPIXPASA-N 427.548 4.568 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@H](C)N1CCCCC1 1286406291 SSBWDKIAPFRHPP-QFIPXVFZSA-N 431.628 4.580 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1286456767 VJTBRLQSVCAAPK-REWPJTCUSA-N 449.574 4.893 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1csc(C)c1 1286457630 SMHSYXDYHSJOKU-KRWDZBQOSA-N 444.988 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCS1 1286518180 CKZPXJUEYRXEIC-IUKKYPGJSA-N 428.577 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCc2cccnc21 1286565276 COOQHOSIMUDHJV-HXUWFJFHSA-N 432.528 4.771 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286588438 GBUHMJKRUHLREI-GOSISDBHSA-N 449.393 4.544 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C1CCC1 1286593267 LJTYTUPGZKQTAD-VQTJNVASSA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc2cc(Cl)ccc2s1 1286720687 UZMADGWQGKDHMI-UHFFFAOYSA-N 431.352 4.927 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCS1 1286741548 ITTWMLPGQXFVAD-NRFANRHFSA-N 430.581 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CCN1CCCC1 1286748658 YVQVMDFWCDJKIV-UHFFFAOYSA-N 428.005 4.948 30 10 IJEE C=CCc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCC2)cc(OC)c1OC 1292302694 AKAVMMUQNWYXPH-OAQYLSRUSA-N 446.588 4.522 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1293371376 FNMKERCTEOSOLP-SQHAQQRYSA-N 448.659 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)Cc1cccs1 1300275730 ZDIYSUDGQFEOGG-FGTMMUONSA-N 426.561 4.955 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@H](C)C2)CC1 1301065596 HJAXBFDZYCCKRI-VQTJNVASSA-N 444.023 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301143166 FOASYFOIJUEURH-IBGZPJMESA-N 435.572 4.789 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1301183228 SMCVRRUQSMYXEG-UHFFFAOYSA-N 434.588 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCOc1ccc(Cl)cn1 1301358972 BGZDMAFKCPKTCG-UHFFFAOYSA-N 440.960 4.655 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCOC[C@H]1C)C(C)C 1301367785 SFQSKLYKQYIISU-IFMALSPDSA-N 449.599 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1c(C)nn(C)c1C 1301374952 HPVIFGOAQHRLMF-INIZCTEOSA-N 436.629 4.708 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCC1(F)F 1301422323 GZSSQRMLYKFHRB-SFHVURJKSA-N 443.542 4.901 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(Cl)c1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1303655524 HGNJIKXNVFRSPN-UHFFFAOYSA-N 425.356 4.777 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@@H]1C 1305224618 GDYXJXHCSLMKKL-GHTZIAJQSA-N 435.597 4.966 30 10 IJEE C=CCn1c(SCCN2CCCC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1307252630 RVHWYSSURQOTLJ-UHFFFAOYSA-N 429.586 4.946 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C)(C)[C@H](c3ccccc3)C2)cc1 1310131014 JMSSJCXFBXSYHQ-QFIPXVFZSA-N 441.597 4.541 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)c1 1310256692 IDSNGYSADZHENG-IBGZPJMESA-N 428.838 4.867 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)cc1F 1312926086 LIASIYAMJYVDHN-WCMCAJIFSA-N 436.955 4.845 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)c2ncc(C)s2)c1 1315559662 FAWREWPLVKDSBV-MWTRTKDXSA-N 436.585 4.652 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c(Br)cccc21 1353352965 GKYAYKZRXLYGST-TZMCWYRMSA-N 444.354 4.908 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3OC)nc2O)cc1 1357630323 JIOCNPYRJRZNGQ-UHFFFAOYSA-N 443.503 4.529 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCC(C)CC1 1358872391 UFLZELRJVZCKFT-GGAORHGYSA-N 437.632 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCCS1 1358879561 UMRGJSDXTXWTQI-MGPUTAFESA-N 433.419 4.760 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCCC2(C)C)c1 1358903144 MHXIQOQRLCMTEQ-JOCHJYFZSA-N 447.627 4.893 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1358909561 JUBRWWHKZDCANN-QFIPXVFZSA-N 434.632 4.625 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1c(C)cc(C)cc1C 1358942003 GMTAMRYVEXGVRM-UHFFFAOYSA-N 429.387 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS[C@@H](CC)C1 1359094111 XFPRDBJJMWZSGK-HOJAQTOUSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359103394 NOGHYJZEUJJWBK-XZYOPWHXSA-N 444.570 4.772 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1359109621 IQYNZTMLPZMNJL-KNQAVFIVSA-N 440.588 4.918 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCSc2ccccc2)CC1 1359160384 SNJRFNACHBGXBN-XMMPIXPASA-N 442.629 4.658 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN(C)c2ccccc2F)CC1 1359162201 IIKVUEUOANJUBI-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359199390 UHKOGQUTMOWWAM-QZTJIDSGSA-N 446.437 4.983 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CCCCC2)C1 1359207133 ABQRTMQHSMAHKP-UHFFFAOYSA-N 442.007 4.988 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359212408 KXVBZGZZJNMNAD-AZUAARDMSA-N 425.577 4.651 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1359223723 UQOQFQLHJVIJDB-UHFFFAOYSA-N 425.602 4.521 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)C2(CCC2)C1 1359229533 LRJRXJFKTITGTG-PWRODBHTSA-N 430.637 4.806 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCC(C)CC1 1359232626 ZHHBGUWCJSRFIZ-IBGZPJMESA-N 432.012 4.816 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS[C@@H](CC)C2)cc1 1359308169 GLBILPRVTPFNTG-NRFANRHFSA-N 440.638 4.875 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC[C@H]1C 1360935334 GNYUVRZDESZTNE-LJQANCHMSA-N 432.572 4.619 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(c4ccc(C(C)(C)C)cc4)CCC3)cc2C1=O 1361021258 GZKNKDYANACGAY-UHFFFAOYSA-N 430.548 4.618 30 10 IJEE N#Cc1ccc(SCC(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)cc1 1436199401 DVYXYJORHHIYPY-UHFFFAOYSA-N 436.440 4.706 30 10 IJEE CC(=O)N[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2)c1ccc(F)cc1F 1436522127 BQJZAAFRPDNGKL-JLTOFOAXSA-N 445.535 4.865 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(CCc4ccccc4)C3)cn2)c1 1441192906 FFLXEQDDUQTKHS-QFIPXVFZSA-N 426.520 4.639 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 1446807222 IYOJOCRVYVMQJE-AWEZNQCLSA-N 431.330 4.882 30 10 IJEE Cc1cccc(Nc2ccccc2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C 1458877594 DKDZBVRRMODMHB-VWLOTQADSA-N 438.531 4.844 30 10 IJEE CC#CCN(C)[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 1460175002 YQHMYGUWXCWNQH-JTSKRJEESA-N 438.593 4.685 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 1465404756 CPVYKIGTRDFUET-UHFFFAOYSA-N 439.928 4.815 30 10 IJEE C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1466693804 BSDKPVCWZIAOQY-HNNXBMFYSA-N 428.458 4.944 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1cc(Br)ccc1Br 1469841127 NIYGZCUKJJSSEZ-UHFFFAOYSA-N 442.151 4.745 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 1470229016 HWGPDOHJCRUWNM-AREMUKBSSA-N 443.978 4.938 30 10 IJEE N#Cc1cnc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 1472736774 ADAVOSNENQFYFP-UHFFFAOYSA-N 432.955 4.535 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F 1475721034 SPJYPAYUCODVQT-QGZVFWFLSA-N 443.874 4.940 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(OCCN(CC)CC)c1)c1ccc(Br)cc1 1477206532 PRVAKFWMGHSTOI-OAQYLSRUSA-N 444.373 4.666 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCCC2)C[C@@H](C(F)(F)F)O1 1494235442 GVDIMHVERZNXAY-YJBOKZPZSA-N 433.478 4.553 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(C)OCCc2sccc21 1507528606 UTESCDTXBUUWCH-QRQCRPRQSA-N 426.973 4.606 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](CCC)C1 1507555931 GCESLXPHIIHPRR-LJQANCHMSA-N 445.405 4.825 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1507577578 RIJIBKYEIAZDNC-PXNSSMCTSA-N 445.405 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1507772762 NAFFNRSFWJEUHU-AXHZCLLHSA-N 443.636 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccco1 1507796764 QJVJBBDUUVRVMN-QRWLVFNGSA-N 430.911 4.948 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCCCCC1 1507840737 PAEBTFISGYOWIA-UHFFFAOYSA-N 428.577 4.716 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCOC2)CC1 1507908826 HJRRWCGMJXZGPR-OAQYLSRUSA-N 438.616 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507913313 QYPKXCAEJGNUPI-LJQANCHMSA-N 448.615 4.722 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1507932442 SVKQTZXSNPUSDB-IBGZPJMESA-N 441.595 4.818 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1507935675 TYTAFZTXXOSOKM-LADGPHEKSA-N 437.632 4.629 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(OC)C1CC1 1508011614 ITNIVTBYEDWVRH-LJQANCHMSA-N 437.407 4.763 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1508018957 BTGYNCXDUZTSDK-ZJSXRUAMSA-N 448.640 4.587 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1508154409 WMDMOFHPZUZERJ-GMAHTHKFSA-N 449.624 4.863 30 10 IJEE Cc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)CC#N)N2CCCC2)cc1 1510720256 FMUDMWOTQJYELG-QPPBQGQZSA-N 434.632 4.895 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 1525685893 VJLKPIHXWVPFOQ-BVSLBCMMSA-N 428.573 4.826 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H]1n1cccn1 1525926806 HWQNXVZAXSTBRK-RBZQAINGSA-N 444.535 4.669 30 10 IJEE C=CCCC[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 1527489707 MNLKRNFDYWYHBX-DNQXCXABSA-N 426.988 4.970 30 10 IJEE Cc1nc(SCC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c(C#N)c(C)c1C 1527628178 AXHWCLUNKBQMJH-UHFFFAOYSA-N 449.407 4.626 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)c1ccc(Br)cc1 1528081200 MCDQWKOYFYNGRG-IBGZPJMESA-N 432.745 4.641 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])s1 1536628344 FRSIFJIIOXYYDX-NSHDSACASA-N 425.963 4.667 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCC1(F)F 1538984373 HHGFZKMWRFMCFX-ZBFHGGJFSA-N 437.332 4.991 30 10 IJEE C#CCCCCn1c(N2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1539087212 SBYYXYBEZXJHDA-UHFFFAOYSA-N 445.652 4.853 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1oc(CCC)nc1C 1539196134 BZNFMGZMEMFKGS-UHFFFAOYSA-N 429.977 4.590 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1539327573 BOYCZIKQQJAZFG-MOPGFXCFSA-N 432.465 4.765 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c1 1539458365 LYHZSTWIHCOPOJ-LKUPVBHCSA-N 444.984 4.640 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1539520494 TUOGOPQPPNPHEN-UXHICEINSA-N 447.048 4.529 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCSC1 1539538028 AFLFYBLZDDSPJP-XLNZFTOWSA-N 440.613 4.562 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539801782 IHHMFHIVRLAXSH-LEWJYISDSA-N 425.964 4.603 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539924704 XOKOSQYXAWGKHQ-ICSRJNTNSA-N 445.652 4.963 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](CC)C1)c1ccccc1 1539948613 QPIPWHONDBACHD-FJIJXJHWSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)S[C@H](C)C1 1539953246 PSJCOCWYGFBFAY-HUUCEWRRSA-N 438.439 4.733 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539999036 VYCZFGDWPGOANJ-VQTJNVASSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1539999710 OHHUSVBGJOIBTQ-UHFFFAOYSA-N 443.477 4.781 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](C)C1 1540014514 OUCZNIAXTQNCBC-GASCZTMLSA-N 425.360 4.744 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN(CC)CCC(F)(F)F 1540051251 AIDOGTOJEFGDIX-UHFFFAOYSA-N 446.521 4.698 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1ccc(N2CCCCCC2)nc1 1540136280 GHNUOZUDSCTGJA-UHFFFAOYSA-N 448.590 4.996 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C)CC1)C(C)C 1540152619 YFJPGAULPNXUBT-ZJSXRUAMSA-N 436.648 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CCc1sc(C)nc1C 1540172327 XNPPVJVGJTVSFN-UHFFFAOYSA-N 429.540 4.642 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(CC)CC)nc2)C1 1546653729 FYDDLDWMVFRGQT-HXUWFJFHSA-N 443.599 4.733 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](CO)c1ccccc1C(F)(F)F 1558506668 AYCYZNSSJBPQAN-MRXNPFEDSA-N 433.348 4.752 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1558670787 ZPRJSSGRYPFTAR-QGZVFWFLSA-N 436.936 4.851 30 10 IJEE CC(C)(C)C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(F)cc1 1561135147 HFUNMOYHNMPLSG-SFHVURJKSA-N 439.350 4.916 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@](C)(CO)c1cccc(Br)c1)c1ccc(F)c(F)c1 1564595669 CJAMBVNJKAVNIV-ICSRJNTNSA-N 439.300 4.551 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)c1 1564924046 AOLVUVRBGMGQBB-DEOSSOPVSA-N 432.545 4.604 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)C(C)C 1565608330 ZTYUEPZWBRXUAH-NRFANRHFSA-N 434.506 4.628 30 10 IJEE C#C[C@@H](NC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2)C(C)(C)C 1583584526 BRHNWPXWGXVIEA-CYBMUJFWSA-N 441.391 4.539 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cccc3c(Br)cccc23)c(C#N)cn1CC 1585297132 ANFYPQTUKIVIKJ-UHFFFAOYSA-N 440.297 4.724 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)CC#N 1585360876 DWLLWXWHEPMWTL-HOYKHHGWSA-N 433.552 4.700 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1cccnc1)C(C)C 1588302260 QVFCNHPXYCSTMN-JOCHJYFZSA-N 426.568 4.731 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC[C@@H](C)N1CCCCC1 1588452017 LTDWWZWAGZNPML-OAQYLSRUSA-N 425.646 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C)(COC)CC1 1589514162 DJUGJTAHPUGSPO-RXVVDRJESA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@H]1CC=CCC1 1589568758 MFKWWRHGCZDCJH-HWBMXIPRSA-N 436.600 4.939 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1589742303 JBSORBDHUZSLNA-MJGOQNOKSA-N 431.378 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 1594064256 LJBWCIKLBPTGGL-UHFFFAOYSA-N 425.483 4.709 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCOc2ncccc2F)CC1 1594192284 HADWODVJBZGKCU-OAQYLSRUSA-N 435.547 4.836 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](c2ccsc2)N(C)C)CC1 1594225493 AVOBRNCMAXLSMB-OAQYLSRUSA-N 425.577 4.851 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1594788815 ULCDGQYGNDAXAU-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595845296 QZUQTGQKZOKLQO-FXAWDEMLSA-N 448.608 4.728 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCc3ccccc3CN(C)Cc3ccco3)c2c1 1612003916 ANFYEPHSRPROMF-UHFFFAOYSA-N 442.519 4.961 30 10 IJEE Cc1noc(C)c1CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1612626366 FQKJYJMROKRSME-CQSZACIVSA-N 444.992 4.810 30 10 IJEE C[C@@H]1CCC[C@H](n2c(SCC(=O)Nc3ccc(C#N)cc3)nc3ccccc3c2=O)[C@@H]1C 1613181241 GLJVTAPRYLWDKS-YVHKJVDXSA-N 446.576 4.996 30 10 IJEE Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C#N)c2)cc1 1617556249 DCRXNWRUWHDPAE-UHFFFAOYSA-N 439.924 4.598 30 10 IJEE COC1(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)CCC1 1619044028 DNLUGQIOEMAJTF-UYAOXDASSA-N 425.577 4.733 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCCC2)cc1Br 1619161097 FTUIEHYIDRUMAD-AWEZNQCLSA-N 432.366 4.645 30 10 IJEE CC(C)(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccc(F)cc1 1621657636 CBNVWMKDNRBAOB-GOSISDBHSA-N 439.350 4.916 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)c1ccccc1 1623183620 BXFAOEADAZYNGC-RUZDIDTESA-N 448.611 4.612 30 10 IJEE C#Cc1cccc(NC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1 1623892167 XJXYVCHZIMREHL-UHFFFAOYSA-N 447.579 4.556 30 10 IJEE C#CCOc1ccccc1NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 1625436222 DVWQFHOUEHWPTG-UHFFFAOYSA-N 441.553 4.522 30 10 IJEE CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1C 1627767288 CZHZLUONUPCUIZ-ZVVFGRKBSA-N 434.536 4.576 30 10 IJEE C[C@@H]1CC(=O)Nc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2N1 1628918193 IBLOFRWPQQQKNO-CQSZACIVSA-N 430.439 4.885 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 1632577796 IYCLSUABJZMWAL-LJQANCHMSA-N 447.457 4.530 30 10 IJEE C=CC[C@@H](CC)NC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1634783623 OYHYUQMNHOTMQE-UYAOXDASSA-N 443.588 4.934 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 1637261400 WNWSWAXNWDVDGW-CVEARBPZSA-N 429.344 4.706 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[C@H](C#N)C1)c1cccc(Cl)c1Cl 1637736160 CAQWLPDCXZASHG-DYVFJYSZSA-N 426.344 4.664 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C 1640460122 SEBWQGFZJWSJKP-UHFFFAOYSA-N 428.529 4.656 30 10 IJEE N#C[C@H](CCc1ccccc1)C(=O)N1CCC(OCc2ccc(Br)cc2)CC1 1640756764 GXUKWUPLLNXAPL-FQEVSTJZSA-N 441.369 4.729 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 1641675386 KMSYZPULNMXSEJ-AWEZNQCLSA-N 448.336 4.562 30 10 IJEE N#Cc1ccc(NCc2ccccc2NS(=O)(=O)c2ccccc2)cc1Br 1642202210 AHYRBVKQYHAPGQ-UHFFFAOYSA-N 442.338 4.734 30 10 IJEE COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1 1644241108 FFBLADVOURDTRZ-FYSMJZIKSA-N 448.544 4.579 30 10 IJEE C#CC[C@H]1CCCN(Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 1652719002 HAJPYYLHQNDDJH-HNNXBMFYSA-N 435.797 4.590 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCC[C@@H](O)c3ccc(Cl)c(Cl)c3)c2c1 1655371570 IEKSWSGJILHXJP-GOSISDBHSA-N 432.307 4.966 30 10 IJEE C#CCCOc1ccc(CN[C@@H](C)CCc2ccc(I)cc2)cc1 1656178141 NJLLKUDFQCEPON-KRWDZBQOSA-N 433.333 4.804 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1656481739 IERMPGGFYCVSNK-AVRDEDQJSA-N 438.369 4.983 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OCCCCC)cc1)c1ccc(Br)cc1 1663548521 MKNAOTINYARKAQ-FQEVSTJZSA-N 436.371 4.671 30 10 IJEE C#Cc1ccc(NC(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)cc1 1665211692 STZVRAKGZOFPBT-UHFFFAOYSA-N 426.358 4.559 30 10 IJEE C=CCSCCNC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1681509892 DBRPGTQCKWMOSZ-HNNXBMFYSA-N 442.425 4.726 30 10 IJEE C=CCCCCNC(=O)N[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1681816727 YBXYKJZCRGGQMA-HXUWFJFHSA-N 443.588 4.935 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1682502159 LDNJMQUTJQNXBB-CEWLAPEOSA-N 439.353 4.782 30 10 IJEE CC(C)CC[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(Cl)cc1 1682772552 BOENMSZSLRVKJH-NRFANRHFSA-N 425.964 4.616 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1683106150 AJEOZJKIXZAUCO-IFMALSPDSA-N 434.515 4.952 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)C1 1685752559 OQKTXTFLWXOZRM-ICSRJNTNSA-N 432.490 4.580 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(NC(C)C)CC1 1689879953 MOZWSHQLSMFPSA-IBGZPJMESA-N 439.673 4.902 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](OC)C1 1689913030 GNNFHCYOMRNAPK-UYAOXDASSA-N 430.980 4.717 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCC1 1690058897 DKLAWDNUQZFCQT-LJQANCHMSA-N 444.023 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccsc1)N(C)C 1690198672 XYYVINMVKAXSMY-NFBKMPQASA-N 440.016 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CC[C@@H](C)N(C)Cc1ccccc1 1690209249 POCIMISCBJURMI-AJTFRIOCSA-N 433.644 4.914 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1690248816 PYMHWDLYLPSJAE-AVRDEDQJSA-N 426.948 4.733 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2OCCC2(C)C)CC1 1690368815 MZFYYTDGDDBAGS-QFIPXVFZSA-N 440.588 4.712 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1690447006 JHOXDORGCQFYPK-YKSBVNFPSA-N 428.577 4.757 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1690476806 PHFGPQGEIDVWNL-UHFFFAOYSA-N 425.920 4.715 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1690490117 PQFXBZVAESEDJI-RUZDIDTESA-N 435.660 4.978 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](CC)C1 1690736428 DMXRQZWYOAJJNT-FUHWJXTLSA-N 432.659 4.666 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1CC(F)(F)C1 1695729113 DXYVITIEXPOUGS-UHFFFAOYSA-N 427.524 4.993 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1705516087 UFMDNIDWAIMIAM-LJQANCHMSA-N 441.570 4.901 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCC(F)(F)C1 1705576285 IVWMTRNWLSLKOI-QGZVFWFLSA-N 428.552 4.784 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cscc1C(F)(F)F 1705618378 FGAGRFJMUSNGJB-NVXWUHKLSA-N 440.535 4.785 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCCc1cccc(C)n1 1705668417 LGCNBOHFTUZOLI-RXFWQSSRSA-N 447.558 4.886 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1705726941 SDWQYINERBEZCW-GOSISDBHSA-N 429.559 4.748 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1705763630 ZIARRJMCOGICKK-MZKRTTBSSA-N 440.588 4.788 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCN(CCC)C2)CC1 1705765782 ADOVLACURUQASO-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1C(F)(F)F 1705787577 WVOPSMZDJGYTCF-UHFFFAOYSA-N 437.510 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](OCCOC)C1 1705788179 RRYJSTVVGJVFNL-OAQYLSRUSA-N 449.599 4.727 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1ncccc1F 1705837367 YPFMYTHQKHGRES-UHFFFAOYSA-N 427.549 4.511 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCCC)C1 1705920207 SOLGOVCEFDFISZ-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccs1 1706068329 IEBCXSSDYUARMV-CYBMUJFWSA-N 447.406 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(Cl)nc1 1722277548 AAJXQRBKGXXUCD-GJZGRUSLSA-N 425.989 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1CCCCO1 1722278658 QHTXAYVPRUTHPG-BJLQDIEVSA-N 430.980 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCCC1 1722283294 UPOFXWHBUKNXTD-IBGZPJMESA-N 425.646 4.609 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1722311918 ODIJOPIGNYIIPW-JOCHJYFZSA-N 449.986 4.635 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc(-c2ccccc2)n1 1722358002 VCXGPLYVBNCEAZ-NHCUHLMSSA-N 449.624 4.632 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(C)CCCS1 1722390721 FJQAAYZLSLYJIR-SQJMNOBHSA-N 436.625 4.784 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CC(F)(F)C1 1722391483 NVUKECQAUDRTRU-INIZCTEOSA-N 432.902 4.580 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccco2)C1 1722452807 WUJZVQZXFWEFHO-MSOLQXFVSA-N 440.544 4.511 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722546831 BBEZTCDCKVSCJD-KGLIPLIRSA-N 428.795 4.923 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)Sc2ccccc2)CC1 1722573122 PQYAMUCZYIICGA-SFHVURJKSA-N 441.645 4.780 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC[C@H]2CCOC2)CC1 1722576499 JSBMRZSWBXBXOV-KRWDZBQOSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1722579250 DJTVJBRRIKJNCR-HXUWFJFHSA-N 431.625 4.717 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1722581812 YSZZLXQJGVGTFX-BHIFYINESA-N 443.680 4.720 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(SC)CCC1 1722634898 VZTDGJDDXYCOPV-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)c1ccsc1 1722643572 SJWVPRJWYQRQAX-XMMPIXPASA-N 440.613 4.746 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCC[C@@H]1C)C1CC1 1722651989 YAVIGQAATOSDIV-RXFWQSSRSA-N 438.616 4.995 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1722652012 YNXLYFMPRANAHU-DYESRHJHSA-N 429.634 4.630 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C1CC(C(C)(C)C)C1 1722652981 QMXMOEZJQDJPHB-UHFFFAOYSA-N 434.588 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCC1=CCc2ccc(OC)cc21 1722669040 KAAFRQZECOZVGS-UHFFFAOYSA-N 427.552 4.865 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)CCC(C)C)C1 1722716993 BHGQMVOPIBZYPO-NFBKMPQASA-N 432.996 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC1CCC(OC)CC1 1740538180 DMFORSOFQKKUAM-VXESANQCSA-N 445.405 4.761 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1740575721 VIIZOBNAGSVSFH-UHFFFAOYSA-N 434.588 4.567 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740582960 SSWCIDMZYDFUDB-WOJBJXKFSA-N 443.389 4.577 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](CC)c1ccccc1 1740614968 MQCCIPPDJWNNJM-FPOVZHCZSA-N 437.588 4.613 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC1CCOCC1 1740633089 VAJRABIBYAENNH-UHFFFAOYSA-N 438.984 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@H](C)C1 1740650782 NOBMKDTWPALKKS-SFTDATJTSA-N 434.584 4.640 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1nccs1 1740784567 KHJQSCZKUKJOTH-UHFFFAOYSA-N 425.602 4.866 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@H](C)C1 1740790424 HNLTXGYGGAUHIJ-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(F)c(COC)c2)CC1 1740830116 WAXSKSNMXGNODA-IFMALSPDSA-N 442.579 4.687 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740839965 QZCXYPJBHQCNDM-LJQANCHMSA-N 433.641 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](CC)C1 1740844599 NSFBRBLRNMTVCZ-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740863913 BJRPTDKBTNVJFF-QFIPXVFZSA-N 434.588 4.580 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccco1 1740887128 CSBUYGHYQOHEPC-HXUWFJFHSA-N 428.483 4.674 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 1740908163 NBMRMZPBECKYMB-PBHICJAKSA-N 449.368 4.553 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC1CC(F)(F)C1 1740917984 IKKGMHDICBEVBK-UHFFFAOYSA-N 429.540 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1740921756 HLSDTJKXXNOZQC-KRWDZBQOSA-N 445.633 4.913 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCC(F)(F)CC1 1740928359 FGXFGIIGIIIFHV-UHFFFAOYSA-N 432.515 4.966 30 10 IJEE CCC1(Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)[C@@H](C)CC#N)CC1 1744290625 ANNIMNJAFYFUFQ-AWEZNQCLSA-N 432.366 4.645 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C1CCCCC1 1748650741 DAMCMKLFJRZJFD-LJQANCHMSA-N 439.673 4.998 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N(C)[C@H](C)c1cccs1 1749046943 LDBIODLOEJYIHM-MRXNPFEDSA-N 430.574 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1749058301 FEDCYKKOYMBFDJ-CRICUBBOSA-N 449.555 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1CC 1749118635 HTDOTFCTQSOYFA-TWWGPRNNSA-N 428.552 4.917 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1749150158 NJGFLZXDGXSTTQ-UHFFFAOYSA-N 441.583 4.902 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1749380880 AYAGPPKECUDYFL-IRLDBZIGSA-N 439.604 4.640 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 1749381902 IEGFUZGOGNQQNM-XZOQPEGZSA-N 445.615 4.657 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1ncc(CC)s1 1749466763 XYLFOIUCMGUQQB-HNNXBMFYSA-N 431.993 4.955 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)c1nccs1 1749471923 VSLSLFRYEBNUIY-LBPRGKRZSA-N 436.354 4.729 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1749539364 ZSBWONJNHMYPDL-ISKFKSNPSA-N 433.600 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1CC 1749544372 FYTCZXWYBRTXEF-NRFANRHFSA-N 439.604 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(F)(F)C1 1749561830 YCFZMVYNPDRIFZ-ZDUSSCGKSA-N 426.309 4.650 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](CC(C)C)C1 1749755552 JITQVUPATDSLLT-WIYYLYMNSA-N 428.602 4.582 30 10 IJEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1)C(C)C 1750890860 HOMLWYUYMUFYHY-UHFFFAOYSA-N 440.661 4.657 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1751731598 BRVYRJMMTHSORJ-MHECFPHRSA-N 434.613 4.762 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1F 1760143717 PKAOQACMVKFHPK-IFMALSPDSA-N 426.580 4.818 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1760276949 UQYGQXSLYYLAKP-CQSZACIVSA-N 447.942 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](SC)C(C)(C)C 1760337656 UVSICGHEPWPGRK-WOJBJXKFSA-N 430.618 4.971 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1760368026 XESQDZGSKVYVCN-MBSDFSHPSA-N 446.979 4.576 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C(C)C)C1 1760368879 PKCCFWBSORDPOX-CQSZACIVSA-N 439.785 4.951 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC(F)(F)Br)CC1 1760393613 SWXCMXDBTNTRML-UHFFFAOYSA-N 441.320 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760410016 QSGPQSFIKNIHTF-QFIPXVFZSA-N 433.556 4.529 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OCC=C)C1 1760423116 RKXQUEBEOZEABG-HNNXBMFYSA-N 437.407 4.907 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H]1CCOC1)C1CC1 1760469807 PECTYFAVNILJGN-MRXNPFEDSA-N 431.378 4.597 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCOC3(CCCCC3)C2)nnc1C(C)(C)C)C(C)C 1760490448 XHMUXQCHSCYASY-QFIPXVFZSA-N 443.680 4.814 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC1(c2ccccn2)CCC1 1760504554 TZBNLAIMYKOGHV-UHFFFAOYSA-N 437.975 4.754 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCSC2)C1 1760537787 QFASLBNAUWIDIE-PWRODBHTSA-N 442.629 4.569 30 10 IJEE CC(C)c1ccc(-c2cc(O)nc(N3CCC(C(=O)Nc4ccccc4C#N)CC3)n2)cc1 1858553814 WQPOXSFMOYSHHN-UHFFFAOYSA-N 441.535 4.699 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c1C 1860305234 QEDCUWNGDOUGFZ-NRFANRHFSA-N 439.629 4.506 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862416300 FRBZGBATAUCLPG-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862451909 QCGLNQNHFRWRDG-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(F)(F)F)cc1 1862495657 RSDPPGURCYWLKH-LJQANCHMSA-N 433.426 4.547 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862502653 GKLUMXPHRLEONC-OAQYLSRUSA-N 444.934 4.708 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(Br)c1 1862509496 JKWJZYQDQJUTIE-GOSISDBHSA-N 430.273 4.661 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 1862524696 LHYQLHSAIVTQPG-SGTLLEGYSA-N 432.289 4.965 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1OC 1862569181 HCEXZYNVLZVNAS-HXUWFJFHSA-N 429.900 4.592 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2c[nH]c3ccccc23)C1=O 1863818189 XDEHLXGCZHKQGB-UHFFFAOYSA-N 425.573 4.623 30 10 IJEE C=CCN1C(=O)c2cccc(OC(=O)/C(=C\c3ccc(OC)cc3)c3ccccc3)c2C1=O 1865794316 CGFNJYMPBXVRPK-XLNRJJMWSA-N 439.467 4.623 30 10 IJEE CCC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866776568 VIPWTWJTABZELH-DHIUTWEWSA-N 435.568 4.929 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3)CC2)nc(Cc2ccccc2)n1 1867945370 NVHHNXUYAJMALT-UHFFFAOYSA-N 425.580 4.572 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C(=O)C3CCCCC3)CC2)nc(-c2ccccc2)n1 1869202680 OTCDMYHHURRMQV-UHFFFAOYSA-N 445.611 4.551 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccncc3)C2)nc(-c2ccc(Cl)cc2)n1 1869264307 QPHJYJWQBJFLRN-QFIPXVFZSA-N 447.970 4.948 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)Cc1cccc2ccccc12 1870110211 GUBZOZNXTDSDTF-UHFFFAOYSA-N 436.302 4.839 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2c(C)cccc2C)cc1 1870145471 BKEZTRFSHFBOOE-UHFFFAOYSA-N 447.539 4.732 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(OCC)cc1 1872083283 BJCKMHFWCOAZIY-QHCPKHFHSA-N 444.597 4.632 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCCC 1872159843 IXVFAEIQVMJUQF-QHCPKHFHSA-N 449.661 4.792 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872210895 PUFCJIRPIMWFNB-QHCPKHFHSA-N 428.598 4.997 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872270207 QDLRMYOMXFERLE-LJQANCHMSA-N 442.915 4.602 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1)S(=O)(=O)CC 1872324229 JXIANIMANQSIAJ-OAQYLSRUSA-N 440.675 4.831 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872550169 NYLBQAUBWTXBOV-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 1872776851 ZMSCLOJNCGQKNH-FQEVSTJZSA-N 443.528 4.796 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1C 1872782115 DUVBIWRAQSIVOP-HXUWFJFHSA-N 443.528 4.680 30 10 IJEE CCOc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OCc1cccc(Cl)c1 1873498933 RTDRKPUCMMTSIB-VULFUBBASA-N 434.879 4.948 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)c(C)c1)n2CC=C 1873614883 HZZICCUTYSWWGR-UHFFFAOYSA-N 426.318 4.538 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1)Nc1ccc(F)cc1 1874421852 HSEGFNHEJWBXJL-YDZHTSKRSA-N 437.525 4.759 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)OCC(C)C 1874440878 XUANGUGTMWJUKN-ZVHZXABRSA-N 444.601 4.605 30 10 IJEE CCCOC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874463622 SDSXSAOJMWXKSB-QPSGOUHRSA-N 441.262 4.531 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccccc1F 1874487358 BYSSAOZSMHCZRV-DHRITJCHSA-N 439.560 4.846 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874503728 XASNMBCECPRBDT-ZVHZXABRSA-N 440.569 4.739 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C(C)C)cc1 1874514302 RLPCGVAORWSQGK-ZVHZXABRSA-N 427.618 4.948 30 10 IJEE COc1cc(/C=N/n2cnnc2SCc2cccc3ccccc23)cc(OC)c1OC 1874539761 VORFMVGKWIDOHP-DHRITJCHSA-N 434.521 4.632 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(OC)c2)cc1 1874617278 TTYLSMRJLCLPPK-WUXMJOGZSA-N 449.503 4.668 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 1874631781 UKSVMWBKAJWCIP-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3)c2)c(OC)c1OC 1874717228 GJDSWTBWKJWGBU-WYMLVPIESA-N 448.471 4.593 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(F)c(F)c(Cl)c3F)ccc21 1891617118 PNHGFRVQNSNCPK-UHFFFAOYSA-N 438.833 4.947 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)[C@@H](CN)CCC12CCC2 1924926521 OKEWNLSTIYWUOY-VFNWGFHPSA-N 434.378 4.992 30 10 IJEE C#CC1CCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CC1 1962741931 ZCTXCCRBOIZGDH-AFMDSPMNSA-N 444.575 4.812 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@H](O)CC#C[Si](C)(C)C)CCN(Cc2ccccc2)CC1 2014163508 WFUXMODQFQWPLR-JOCHJYFZSA-N 444.692 4.568 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCN(Cc2ccccc2)CC1(C)C 2037425652 FURBALOJEZBDPG-IAPPQJPRSA-N 436.640 4.791 30 10 IJEE N#Cc1ccc(Br)cc1N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2044065894 IKHOAGUHBCQOHA-TYCQWZJGSA-N 440.341 4.922 30 10 IJEE COCOC(C)(C)C#C[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@H](OC(=O)c3ccccc3)CCC[C@]12C 2060472137 KZCGXVQSDRGSNX-RPGIGCEXSA-N 442.596 4.828 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1)NCCC 2065383097 ZLLNGCUDCNTVDE-DHIUTWEWSA-N 444.616 4.686 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079979159 LZHZAFYPIXAORH-KRWDZBQOSA-N 447.320 4.727 30 10 IJEE CCOc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1 2080118334 RPCNPOIZALRISC-HNNXBMFYSA-N 443.235 4.695 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)ccc(Br)c1F 2089289747 TYSIATCZGFCAIA-QAPCUYQASA-N 427.358 4.854 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cc(C)sc2Br)CC1 2101083373 IGOORKUBHRQYIM-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1 2118194745 OGOAYNAJVYOXJI-CYBMUJFWSA-N 426.330 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(CC#N)cc2)C1 2124698364 YUFWYRFPXKRYEN-SANMLTNESA-N 449.551 4.535 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@@H]2CCCC[C@H]21 2174813941 BMTHQDDENYNRLS-HUUCEWRRSA-N 438.341 4.828 30 10 IJEE C[C@H](NC(=O)c1cc(Cl)sc1Cl)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631627 OYWFHZRUYABMIW-VIFPVBQESA-N 432.203 4.907 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2235729661 UEYOASLXXANPKO-DXIQSLLYSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C 2235730468 VGRYTFDCXQCQHP-NVXWUHKLSA-N 445.348 4.669 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2235749943 PNLPYMGNPNAKPN-QZTJIDSGSA-N 435.406 4.814 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2cccc(Br)c2)cs1 2278727859 NANAGKJUXQLKLK-GFCCVEGCSA-N 435.343 4.726 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1sccc1CNC(=O)OC(C)(C)C 2278808582 CXMJUEPRSITELU-QGZVFWFLSA-N 435.387 4.848 30 10 IJEE O=C(C#Cc1cccc(Br)c1)[C@H](O)c1cc(Br)c(Cl)s1 2296232111 KORIHMUDWTZSPU-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@@H](O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2296289477 SAAHDPPRGVRYTC-WTGUMLROSA-N 434.374 4.587 30 10 IJEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3cccc(OC)c3)c2)SC1=S 2297624854 WAMWUJIGBSRNHU-UHFFFAOYSA-N 441.574 4.930 30 10 IJEE COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccccc2)C4=O)c(OC)c1 2297639976 XRYLMGCWWZCPDO-LJQANCHMSA-N 428.440 4.761 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2321985522 KERYKQTWDFCZJX-UHFFFAOYSA-N 441.483 4.750 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325713777 QGIYIAYKPRSBFK-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325743078 FXOYNUOWIWZQAF-UHFFFAOYSA-N 432.520 4.833 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc([N+](=O)[O-])cc1 2325900478 FIWBZUCFZDSTDM-UHFFFAOYSA-N 439.541 4.975 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2326412447 HIRZQYADRUHDBY-UHFFFAOYSA-N 440.569 4.658 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1cccnc1 2330616278 MSTJPDDWBNOSRF-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2[N+](=O)[O-])c1 2330961086 KIGXNTLXRMKDPV-FQEVSTJZSA-N 437.525 4.829 30 10 IJEE COc1ccc(OCC(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331165525 VRCKRUFSDXNXQW-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCOc1ccc(C=CC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 2331305729 MUASQMKYZNYPHH-UHFFFAOYSA-N 426.472 4.506 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(F)c2)c1 2331361381 PQNFLEYECSVANG-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)(C)C)c1 2331412623 QCONWHGSCQGPAA-GOSISDBHSA-N 435.597 4.736 30 10 IJEE CCCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2)cc1OC 2331577407 IUCODAAGOGKOLF-UHFFFAOYSA-N 440.569 4.787 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)C=Cc1ccccc1Cl 2332188504 FIFXPKQXMHBULR-UHFFFAOYSA-N 442.704 4.515 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339538239 TXGQTGOICSTGMH-IBGZPJMESA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574722 LYPYZWIUTPUURM-ZOBSEURRSA-N 444.381 4.895 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339577567 UREVINGMPSXDEM-HKUYNNGSSA-N 444.381 4.751 30 10 IJEE CN(CCCCCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1)Cc1ccccc1 2339601831 BOIUIJAYHHRZEW-WUKNDPDISA-N 435.421 4.862 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 2360194853 SQFZKZIOFZSRAK-RLLQIKCJSA-N 433.390 4.638 30 10 IJEE CC[C@H](NC[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836040 JUPWHRAKEBXDCL-LBNVMWSVSA-N 448.460 4.939 30 10 IJEE C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 33271492 WOQITLMQVKERKA-GOSISDBHSA-N 428.517 4.585 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CNCC(=O)OCC 37238821 TXNXNEYQTWNEIP-FVCMEMMDSA-N 445.600 4.817 30 10 IJEE biogenic N#Cc1c(NC(=O)CSc2nc(-c3cccc(Cl)c3)n[nH]2)sc2c1CCCC2 59793479 NZWDNBUOGDJWAZ-UHFFFAOYSA-N 429.958 4.668 30 10 IJEE C#CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(C)cc2)cc1OC 64796045 SXTMFJAJAKHBMS-KRWDZBQOSA-N 447.512 4.916 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 71973929 NQNGZVUKAFQWRI-JBUZCUONSA-N 438.593 4.891 30 10 IJEE CCOc1ccc(C(=O)/C=C\c2cn(C[C@H](O)CN3CCCCC3)c3ccccc23)cc1 96498720 ARJATSLOOVMPBD-MGYADMTCSA-N 432.564 4.783 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(Br)cc2)S/C1=N/c1ccc(F)cc1 100992121 HRDARPDOPDKGSF-FKNXBIFSSA-N 447.329 4.979 30 10 IJEE CN(/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1)c1ccccc1 101081003 UVDRJAIRPQYVQN-XDOYNYLZSA-N 429.339 4.721 30 10 IJEE COc1cccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 103094682 PXMCXTWXNGPDTL-GOBJLOIFSA-N 446.484 4.833 30 10 IJEE O=C1ON=C(c2ccccc2)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 104915248 RMUITHVTPXLAEL-LFIBNONCSA-N 439.221 4.962 30 10 IJEE C=CCn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c2cc(C(C)C)ccc21 169863480 HGXCYCGYCPRACX-UHFFFAOYSA-N 425.573 4.952 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccnc1)c1cccc(Cl)c1 170009945 VSGPBMZNIBTMNT-IBGZPJMESA-N 441.270 4.877 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170054605 XVVFEIBUCPWBEM-VWLOTQADSA-N 427.500 4.793 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 170055717 ZHOIDUPRKBCUEV-XMMPIXPASA-N 443.499 4.872 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccc(F)cc2)cc1 170061946 DRXQCSRSFKWFMI-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(F)cc2)cc1 170063409 WNZKBWHXYWQMJU-HSZRJFAPSA-N 437.430 4.962 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)ccc1F 170076732 OTZBOXBLUDBGMF-QFIPXVFZSA-N 430.435 4.987 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170077929 AYNXZWANCXSFJX-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140172 VQFDHAMTEJXKLO-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)c(OCC)c1 170148923 XWAIEOHNFPYWRC-OAQYLSRUSA-N 427.472 4.617 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)c1C 170158904 FSPFXJGDJDLFBD-NRFANRHFSA-N 433.485 4.877 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1C 170170000 LMHMTYRURZKRBG-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccncc1 170198128 CIYQLEZQQMHZPO-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1OC 170242246 QWOACDPJIMEIRO-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1 170457294 GTYYYAQMIMLDFD-XMMPIXPASA-N 436.552 4.741 30 10 IJEE C=CCCC[C@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br 398262441 UHVARUAYCPFURL-NSHDSACASA-N 425.186 4.543 30 10 IJEE C=CCn1c(Sc2nc(C)nc3[nH]ccc23)nnc1-c1ccc(Br)cc1 433780935 VPFPQHCDEFEKPZ-UHFFFAOYSA-N 427.331 4.625 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1cccc(OC)c1 460788106 AZNXKCOSWLITNR-QFIPXVFZSA-N 434.540 4.889 30 10 IJEE N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1cccc(Br)c1 496308187 VSBDJSLQYCZNLT-PMPSAXMXSA-N 439.231 4.832 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 514235313 ALXKRWIITSAPNK-QFIPXVFZSA-N 447.432 4.783 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)cc2)c1 526607429 QNLIDWDQCOGSRF-XMMPIXPASA-N 426.472 4.941 30 10 IJEE N#Cc1ccc(SCC(=O)N2CCC[C@@H]2c2ccc(I)cc2)cc1 534549490 LUJGEFSOXTZGSJ-GOSISDBHSA-N 448.329 4.619 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1Cl 534906047 JTIZIJQSQCGGPD-OAQYLSRUSA-N 445.906 4.707 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)nnc1-c1ccco1 541314709 KKYGOGFXFFVJLT-IBGZPJMESA-N 436.581 4.839 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 567651706 BXHLDSMGIKUTPT-QHCPKHFHSA-N 443.551 4.826 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 578371974 ILHQGOKLEIZVQK-FQEVSTJZSA-N 438.503 4.541 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CCN(C(=O)OC(C)(C)C)CC1 698483293 BTDREFVGCQLQEH-UHFFFAOYSA-N 431.533 4.730 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 733202766 XATYQNBNTRHJQT-JOCHJYFZSA-N 443.528 4.529 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1)c1ccncc1 734681781 ZDSSMPRNNWCCCC-ACRUOGEOSA-N 428.577 4.520 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1C#N 747273905 FEFNDYNXXOUYOQ-UHFFFAOYSA-N 428.448 4.561 30 10 IJEE COc1cccc2[nH]cc(CCNC(=O)c3cccc(COc4ccccc4C#N)c3)c12 778066043 XWKXBZMOPPSMET-UHFFFAOYSA-N 425.488 4.600 30 10 IJEE C[C@@H](NC(=O)CCC(=O)N1CCOc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 782485258 GBZBCJZZIDELPX-LJQANCHMSA-N 439.515 4.608 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 786012194 UIDPTUGMRZYUGA-DEOSSOPVSA-N 436.515 4.811 30 10 IJEE C#CCn1cc(CNc2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)cn1 787886202 MIIMLVKIABEGIG-UHFFFAOYSA-N 427.199 4.597 30 10 IJEE C#Cc1cccc(N=c2scc(-c3cnccn3)n2[C@@H]2CCOC3(CCSCC3)C2)c1 803196199 SAXQCEYJYDRFQX-HXUWFJFHSA-N 448.617 4.838 30 10 IJEE O=S(=O)(c1ccc(N=Cc2ccccn2)cc1)c1ccc(N=Cc2ccccn2)cc1 1088644348 XAOLZPMTKGBTHI-UHFFFAOYSA-N 426.501 4.811 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCc2ccsc2Br)c1 1128339934 CUYQIKYFSJPQBW-UHFFFAOYSA-N 427.323 4.891 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C[C@H]2CC2(C)C)c1 1131466801 KQWMRWYXLQTLSX-QGZVFWFLSA-N 447.000 4.839 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)c1 1136327140 YKEXRDXQSAMZFE-UHFFFAOYSA-N 445.588 4.916 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)C(C)C 1144197387 GSLXRPHYLBYWOS-OAQYLSRUSA-N 434.506 4.628 30 10 IJEE C#C[C@](C)(CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 1158491634 FYCVSUKOLAWUJK-HXUWFJFHSA-N 439.412 4.918 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@H](C#N)C1 1162686199 CIVAWKBVIMNMJG-OSWQYVSFSA-N 443.547 4.668 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 1184577858 ONEFAYTWMAGCLD-UHFFFAOYSA-N 425.881 4.806 30 10 IJEE C=CCn1c(SCCOc2ccccc2C(=O)OC(C)(C)C)nc2ccccc2c1=O 1188170072 PXBULELSUMNWGI-UHFFFAOYSA-N 438.549 4.709 30 10 IJEE C=CCn1c(SCC(=O)C(C)(C)OC)nc2sc(-c3ccccc3)c(C)c2c1=O 1188538467 DLGBGNHPEFTDCT-UHFFFAOYSA-N 428.579 4.706 30 10 IJEE C#CCN(CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1)CC1CC1 1192303319 NZTAPNQRVAFXPK-UHFFFAOYSA-N 433.552 4.828 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](CO)c3cccc(Cl)c3Cl)cn2)c1 1198042407 ANABBRFNCVWVDT-GOSISDBHSA-N 443.290 4.907 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1199787776 XWHCNXGUOXDRBN-UHFFFAOYSA-N 438.406 4.802 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)c1 1200402710 MGFNMTFWLCOZEE-RUZDIDTESA-N 433.596 4.896 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1C(F)(F)F 1201178364 GATJITBXLKURCZ-CYBMUJFWSA-N 426.801 4.770 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 1206203912 YQURMZYNDNNSMO-LJQANCHMSA-N 444.373 4.718 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccccc1 1214354525 OUYWNPWMVULLJN-QHCPKHFHSA-N 441.597 4.936 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 1215284330 FVABPWNHPBCJRT-IBGZPJMESA-N 447.560 4.898 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)ccc1OC(F)(F)F 1217007692 BQRFDWCMUDZZAF-CYBMUJFWSA-N 442.800 4.650 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 1218352888 VXOQUBRBDNWKKZ-UHFFFAOYSA-N 430.501 4.506 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCCC1(C)C 1225867509 HNJQZMCUSXGKPL-OALUTQOASA-N 448.405 4.639 30 10 IJEE C=CCC[C@H](NC(=O)NCCNC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 1230693145 CKNMUXFUAKQTNG-INIZCTEOSA-N 425.476 4.503 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCCc2sccc2C)c(C(=O)OCC)c1C 1264357447 OTNADVRITZSYRZ-UHFFFAOYSA-N 435.567 4.907 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(C)cc2OCC2CC2)CCCN1C(=O)OC(C)(C)C 1265882929 SNVAIMDKJHEXKA-VWLOTQADSA-N 428.573 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 1270659995 VZRAUMZDLZWLFJ-QMMLZNLJSA-N 430.342 4.667 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2ccc(Br)cc2)nnc1-c1ccco1 1274006575 UITFSZLVJCNBLK-UHFFFAOYSA-N 448.342 4.712 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1F 1275497602 FSMAAUQBRPZUJW-WOJBJXKFSA-N 449.751 4.869 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C(C)C)CC1 1286333939 CWZDDXJDDSKANG-UHFFFAOYSA-N 425.646 4.603 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cccs2)CC1 1286337075 WBMGHPKJKATGLM-UHFFFAOYSA-N 449.624 4.666 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1(CC)CCOCC1 1286455571 WSENSFNCZZXRGO-UHFFFAOYSA-N 436.531 4.832 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC=CCC1 1286469738 XWWIVEANLQDCDU-QGZVFWFLSA-N 449.382 4.606 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cccs2)CC1 1286696451 FDRSSVOZLICPOY-UHFFFAOYSA-N 428.005 4.948 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC(C)C)C1CC1 1286701046 URADSTOCSPNUCK-FQEVSTJZSA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCCC1 1286747015 DPRLAUIUPVKPGK-UHFFFAOYSA-N 443.020 4.734 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc(C)c(OC)c1 1286750303 XEVFIDQQLMOFCO-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCc2cc3c(cc2C1)CCCC3)C(C)C 1286750872 IODZWBGHBIQBJR-AREMUKBSSA-N 433.644 4.727 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3cccc(C(F)(F)F)c3C2)CCCN1C(=O)OC(C)(C)C 1287552335 YHSJKRPNWKZMDL-JOCHJYFZSA-N 438.490 4.936 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1292830316 XIHXXMGLRPYCIO-UHFFFAOYSA-N 444.497 4.844 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CCCO)CC1 1301027027 HEMALOQGGGOXGR-UHFFFAOYSA-N 429.779 4.993 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCOCC)CC1 1301073014 VFRMBMZLYOSZOO-UHFFFAOYSA-N 433.394 4.989 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(O)CCCC2)CC1 1301114646 UZYWUVGIWISICW-UHFFFAOYSA-N 445.405 4.724 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1301135726 PMOVYPYOANIZMM-JFJDKTSWSA-N 443.680 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301139051 KUAVOUDADXPKDL-FGZHOGPDSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1301155755 USMXAHBMUDIZHH-GOSISDBHSA-N 440.617 4.683 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301211977 QKGSXPCAFOYVLC-DNVCBOLYSA-N 431.462 4.616 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1C(F)(F)F 1301248164 BCQPUHWJQFEBSQ-UHFFFAOYSA-N 445.489 4.896 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1301338147 RCSZYLLXHBIENN-FBLLAGFSSA-N 440.588 4.679 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccs1 1301346611 GRGXKWIQGXXLDG-DEOSSOPVSA-N 431.565 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2=CCCCC2)C1 1301543385 KVQHDBRGCWYSQN-FQEVSTJZSA-N 430.499 4.828 30 10 IJEE CS[C@H](C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1302540426 GXIWNFOGJMXJDA-SPLOXXLWSA-N 442.589 4.571 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccsc2)CC1 1303013262 AIQZLSUWKYRCKF-UHFFFAOYSA-N 427.961 4.750 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)C1 1304958624 BGBPKBSRZFQYFY-DBXWQHBBSA-N 434.613 4.806 30 10 IJEE CCC1(Cn2c(CCCc3ccccc3)nnc2N2CCC(CC#N)CC2)CCOCC1 1305909525 BEFIJYOJYMFIPR-UHFFFAOYSA-N 435.616 4.790 30 10 IJEE Cc1c(S(=O)(=O)N2CCc3c(Br)cccc3C2)sc2ccc(C#N)cc12 1309133138 AKUITUCGJVXKCP-UHFFFAOYSA-N 447.379 4.591 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)c1 1309147187 YUERGBLJMQWQNP-UHFFFAOYSA-N 439.558 4.528 30 10 IJEE C=C(CNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1)c1ccccc1 1309557233 AIVJRMSOWCEDRL-UHFFFAOYSA-N 435.368 4.564 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 1310204455 DKLOPOICOOTVAZ-UHFFFAOYSA-N 436.512 4.692 30 10 IJEE COC1CCC(CCn2c(Cc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CC1 1315679045 COCUJKCBDRTXQF-UHFFFAOYSA-N 439.579 4.733 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CC(c2cccnc2)=NO1)c1ccc(C)c(C)c1 1348841410 OBECNPGASXFJBX-AREMUKBSSA-N 441.531 4.990 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(CCC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1348921848 KPQKAVOUWUPNMT-AWEZNQCLSA-N 438.380 4.894 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccnc1OCC)c1ccc2c(c1)OCO2 1353965825 PGYBSXQAQSGREI-UHFFFAOYSA-N 432.476 4.621 30 10 IJEE CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1354150606 FXSRCRUOMLHBMC-HNNXBMFYSA-N 430.335 4.981 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1OC 1356494829 IXNXLDSWWMWILH-PTNGSMBKSA-N 439.515 4.929 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1358912682 WGVATLQSJZSVJP-GHTZIAJQSA-N 428.964 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1sc(C)nc1C 1358989239 UWHOEXOVFFVLOB-UHFFFAOYSA-N 444.391 4.836 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1ccnc(Oc2ccccc2F)c1 1359012371 JEEQTIILPQGCJW-UHFFFAOYSA-N 433.531 4.845 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1359050582 VJZYWGSETHAWQB-MAUKXSAKSA-N 448.434 4.561 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCCOc1ccc(C)cc1 1359069849 ZXUZABRYAMCDOP-AREMUKBSSA-N 429.568 4.808 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1Cc1c(C)coc1C 1359074850 SSXOFACFDKAAOB-XMMPIXPASA-N 436.581 4.829 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2c(C)noc2C)CC1 1359159743 DBFCJZGIYXPWLA-QGZVFWFLSA-N 427.936 4.881 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCCN2CCC)CC1 1359160889 ILVYNPDJKRVDBA-FQEVSTJZSA-N 445.558 4.967 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCCN2CCC)CC1 1359179835 HXPUYLMEGWQZLD-QHCPKHFHSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCc1nccs1 1359189801 VWZMBMJSNFYBOX-IBGZPJMESA-N 439.585 4.528 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)COC)C1CC1 1359247831 QTRYYLMFUWRBKY-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CCC1CCN(CC(F)(F)F)CC1 1359261953 BPUFHDXCJRGXQB-UHFFFAOYSA-N 427.540 4.505 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)c1ncc(C)s1 1359278834 IQJSPQLTLVFGGJ-MRXNPFEDSA-N 437.569 4.899 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1359342902 HFBJJMFBGMCGQL-UHFFFAOYSA-N 433.569 4.898 30 10 IJEE C#CCN(C(=O)[C@H](C)OCc1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1360557207 QEPKQRKEONMCQD-UWJYYQICSA-N 442.353 4.648 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)c3c(Cl)cccc3OCC3CC3)CC2)nc1 1435598736 ARGZLFPGSCDBJM-UHFFFAOYSA-N 425.916 4.515 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H](C)Oc3cc(Br)ccc32)cc1OC 1438014227 CDRFTVZCCGQMLP-MLBQELRYSA-N 444.325 4.850 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)C2(C)CC2)c1 1439866127 WDXKQVLZAGZIND-MRXNPFEDSA-N 432.973 4.640 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)c1cc(C)nc(-c2ccc(Br)cc2)n1 1458372165 MWQVJQFDDNIZFP-UHFFFAOYSA-N 428.330 4.883 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 1466390859 GBRLTWSQDBAAJY-OAQYLSRUSA-N 442.556 4.900 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1470663517 SJCYCWZLHNMJQQ-FQEVSTJZSA-N 433.980 4.693 30 10 IJEE C#CCN(C(=O)NCC[C@H]1CCC(F)(F)C1)[C@@H]1CCOc2ccc(Br)cc21 1471554357 LPYWJAIYDZTCBB-RHSMWYFYSA-N 441.316 4.743 30 10 IJEE CCc1nc(C#N)cc(Sc2nnc(Cc3cccs3)n2CCc2ccccc2)n1 1472647716 FQBNORYBRKBSPM-UHFFFAOYSA-N 432.578 4.548 30 10 IJEE Cc1cc(-c2ncccc2NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cs1 1476436915 BGTHGMHMWSEUAT-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE COC(=O)[C@H](CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 1476606476 FOPNUZRXYWPELK-OAQYLSRUSA-N 431.517 4.788 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c(Cl)c1 1477146600 FMZSYXSMDFQDHX-OAQYLSRUSA-N 432.907 4.970 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](Cc1ccccc1)c1ccccn1 1479594053 CLPWBOBKTKMAHG-DEOSSOPVSA-N 431.584 4.973 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1502987560 HGUPVBJKMXPXEY-HXUWFJFHSA-N 440.350 4.757 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC1CCN(CC)CC1 1507678628 AVNKIIDKEJHJDE-JOCHJYFZSA-N 437.632 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(C)C 1507798491 TZEAUABPZNLIBC-YOEHRIQHSA-N 439.423 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(Cl)c1 1507800859 YUTVDRBRHVIVRD-GIVPXCGWSA-N 430.980 4.791 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 1507924888 VIBQBENILPNWFD-YUXAGFNASA-N 439.604 4.686 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1507972078 SIQNWNHPIDCCTH-PZJWPPBQSA-N 439.604 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)N1CCC[C@H](C)C1 1507973521 HIHIENUSLXUGMK-SFTDATJTSA-N 449.599 4.860 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(F)(F)F)c1)C1CC1 1507993244 JEBRMMWMATUGJN-LJQANCHMSA-N 436.478 4.664 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccs1)N(C)C)C1CC1 1507997224 SSQOXFWGWNQXHE-HXUWFJFHSA-N 425.577 4.527 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H](OC)C(C)(C)C 1507999200 YMLMVVDUVUKYGL-QFIPXVFZSA-N 435.572 4.602 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCSC1(C)C 1508002267 CELLUWWEAYINSG-QFIPXVFZSA-N 433.625 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(C(C)C)C1 1508008734 RXHSQKIYEIEATH-NHCUHLMSSA-N 443.661 4.547 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccsc1 1508024937 NXFSMQHDIYFCRJ-RUZDIDTESA-N 445.592 4.544 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1508038401 IZODKBIFOLCAQQ-UPVQGACJSA-N 440.632 4.657 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(=C)CC1 1508109849 VQCSFGALBZGDED-FYYLOGMGSA-N 436.600 4.966 30 10 IJEE CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC#N)CCC(C)C 1514815951 FERCXZSPGBVLOT-IBGZPJMESA-N 432.613 4.569 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C#N)cs2)[C@H](c2cccc(Cl)c2)C1 1518966480 DWRUGXHMMCLRBW-KRWDZBQOSA-N 431.945 4.707 30 10 IJEE COc1ccc(Oc2ccc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)nc2)cc1 1520339641 BAGLMPHNVQGMAZ-UHFFFAOYSA-N 445.866 4.846 30 10 IJEE C=C(C)CCC(=O)N[C@@H](C(=O)OCC)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 1525893500 CMLAMLSNLFNBKS-HXUWFJFHSA-N 437.462 4.585 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 1529654297 BRQVKBMFDNQNNL-UHFFFAOYSA-N 433.258 4.619 30 10 IJEE Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Br)c(C#N)n3)cc12 1529891233 CJIVWZSUOWCJKO-UHFFFAOYSA-N 438.310 4.677 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C(C)(C)C)c1 1530473485 TUJVAHZHTYBSSL-MRXNPFEDSA-N 434.989 4.886 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)Cc2ccc(Br)cc2)cc1OC 1533864606 FMJCVBMJTFNINQ-IYCSXQJISA-N 430.342 4.783 30 10 IJEE C/C(=C/C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)F 1537418727 OGTQPSYRBJYRCV-DMIOIOJGSA-N 426.341 4.971 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC=C(c3cccc(Br)c3)CC2)c(OC)c1 1538041780 SMULNCSTOFBTCZ-UHFFFAOYSA-N 442.353 4.881 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)c(F)c1 1539350101 AGLJBCAEYCUOTC-OAHLLOKOSA-N 426.536 4.917 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC=C(C(C)(C)C)CC1 1539688816 PYCDZBSGOLRVHN-UHFFFAOYSA-N 426.561 4.730 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnc(C)s2)CC1 1539875711 ZVHXJQUVWCYKTE-OAHLLOKOSA-N 427.549 4.773 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1539916188 HXFLLOXJFYJQTK-IFMALSPDSA-N 442.579 4.709 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(Cl)c1 1539963224 OUJWVBVXUWLKSS-UHFFFAOYSA-N 427.936 4.652 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CCn1cc(Cl)cn1 1540139687 KCTWAFBSTVGLFF-UHFFFAOYSA-N 442.970 4.893 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1ncc(C)s1 1540184548 DXHLVGYIZWIACS-QGZVFWFLSA-N 434.569 4.737 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1542421730 SAXSBEBDCDYUOI-GOSISDBHSA-N 442.903 4.720 30 10 IJEE C[C@@H](CN1CCCC1)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1543858976 BWLBPJHLVFHKNO-QYZOEREBSA-N 440.661 4.602 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2(C(C)C)CC2)c1 1544097311 KZSOKVVBWVBURJ-UHFFFAOYSA-N 432.973 4.640 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1552748821 DJHUQEIZCAEYEQ-DENIHFKCSA-N 447.414 4.722 30 10 IJEE COCC(C)(C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1555212703 CLSPFGLQPFBUGM-UHFFFAOYSA-N 427.568 4.591 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 1556379070 MRKRMKOAFIYCTR-GFCCVEGCSA-N 445.372 4.776 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccccc21 1556560196 BDYLKGQMJBLICZ-LJQANCHMSA-N 431.536 4.983 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)CC1 1562424233 JBDSQDKGHJVKJZ-UHFFFAOYSA-N 425.476 4.688 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 1562775475 PVBQWAIOQSWCOZ-UHFFFAOYSA-N 432.427 4.771 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(F)c(Br)cc1F)c1ccc(Cl)cc1F 1565002848 OLTAILNFEWIFTQ-INIZCTEOSA-N 431.639 4.694 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 1565486110 YYQHHTWHNYHKEU-UHFFFAOYSA-N 429.561 4.542 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCC(=O)N=c1sccn1Cc1cccc2ccccc12 1584907872 BXLULQNIXYNMSV-UHFFFAOYSA-N 443.576 4.538 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Cc3ccccn3)ccc2C)CCCN1C(=O)OC(C)(C)C 1586024109 KSHSQLVFPFYPHO-SANMLTNESA-N 433.552 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H]1CC[C@@H](F)C1 1587600249 WODJJEDWHBGKLR-CMKODMSKSA-N 428.552 4.729 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1587621716 XVQDYWMRBOJRPU-GOHWNWGWSA-N 446.599 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1cn(CCCCC)nc1C 1589192324 OXPVKGZMXPRJFG-RUZDIDTESA-N 434.563 4.820 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCN1CCCC 1589625840 PDLZWJCNKCDTJP-OAQYLSRUSA-N 439.604 4.731 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1593654559 BZJFPLVKFDLKOC-VQTJNVASSA-N 431.625 4.717 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](COC)C1 1593932294 GPQFEPWTYXQXDJ-HNNXBMFYSA-N 427.401 4.839 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(COCC)cc2)CC1 1594134371 PVAPKHISFVOAPR-DHIUTWEWSA-N 438.616 4.938 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC(Cn2cncn2)CC1)c1ccccc1 1594534548 MBWNIRGNKBGYSE-NFBKMPQASA-N 433.604 4.660 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN(C2CCCCC2)CC1)c1ccccc1 1594553421 ZYTVPUOKNYKSEQ-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1594651127 HIGNKNCPUQIJQL-QFIPXVFZSA-N 438.616 4.962 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1594733359 RRFHMSWROPXELR-KRWDZBQOSA-N 445.011 4.736 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)cc1C(F)(F)F 1594913776 OCUNPQWQMQGDMA-UHFFFAOYSA-N 425.817 4.822 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1595034009 UYZXRJITYLXVKE-UHFFFAOYSA-N 448.527 4.629 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC(C)(C)C1)C(C)C 1595170596 FJVIUZUNQNJWHG-FCHUYYIVSA-N 429.653 4.845 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)N(C)C 1596798243 GLLANGCOGWIIOB-IIBYNOLFSA-N 447.002 4.844 30 10 IJEE C#C[C@@H](NC(=O)/C=C\c1ccc(OCC=C)c(OC)c1)c1ccc(Br)cc1 1596986046 YUKCSAZVFYGZKS-IVGFIOLJSA-N 426.310 4.526 30 10 IJEE C=CCCCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1617328868 XZWBFLSIYNJTPD-UHFFFAOYSA-N 426.460 4.592 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2NCc2ccccc2)CC1 1618705292 HMWISIPNVCREJB-VWLOTQADSA-N 444.966 4.975 30 10 IJEE CO[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1)C(C)(C)C 1618974927 ABYSYTHKAOABQX-IERDGZPVSA-N 441.645 4.932 30 10 IJEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC2(C)C)cc1Br 1619183099 FQGRNANRRDLXEE-MRXNPFEDSA-N 444.377 4.502 30 10 IJEE CC(=O)N(c1nc(CNc2ccc(F)cc2OCC#N)cs1)c1ccc(F)cc1F 1621237749 DPEPLQCHBZRSBI-UHFFFAOYSA-N 432.427 4.759 30 10 IJEE C#CCN1CCC(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)CC1 1625326031 MNYWMVBKKXBLMC-UHFFFAOYSA-N 432.898 4.714 30 10 IJEE N#Cc1ccc(NC2CC2)c(NC(=O)c2scc(Br)c2Br)c1 1626029005 HAZDZFZPNUUFOU-UHFFFAOYSA-N 441.148 4.971 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCO[C@H](c3ccccc3Br)C2)c(Cl)c1 1626206817 GWALHTQOBBWNPA-INIZCTEOSA-N 440.124 4.841 30 10 IJEE C=CCC[C@@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)C(=O)OCC 1627752939 VSJRPXBWXINOFY-OAHLLOKOSA-N 426.460 4.765 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1)C(=O)OC(C)(C)C 1628464610 CQVUPEJHWTZFEX-UHFFFAOYSA-N 438.915 4.692 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)c1C#N 1631005041 FZMRHPOBCIFSRI-UHFFFAOYSA-N 434.609 4.585 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C 1640460206 VJSXVYDIYKYXIZ-QFIPXVFZSA-N 440.540 4.559 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CCO)c2ccc(Cl)c(F)c2)s1 1642715611 YRAABDQPXVXTFE-OAHLLOKOSA-N 449.400 4.871 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(c2ccccc2Cl)CC1 1645528721 AAKMNFZGPSFUGN-GOSISDBHSA-N 443.016 4.743 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)[C@@H](C)C#N 1646525633 UIHQAXWMOKGHSN-MHECFPHRSA-N 431.536 4.620 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652349321 UTKSXZWXZKOINM-HZPDHXFCSA-N 445.654 4.508 30 10 IJEE C=CCN(Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H](Cc1ccccc1)C(=O)OCC 1653296367 MSDFGIUTYNHOJU-FQEVSTJZSA-N 432.351 4.804 30 10 IJEE N#Cc1c(NC(=O)CCN2CCN(c3c(Cl)cccc3Cl)CC2)sc2c1CCC2 1658150886 FUJLSGIPPRPMHH-UHFFFAOYSA-N 449.407 4.566 30 10 IJEE CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)S(=O)(=O)CC(C)(C)C#N 1660339408 CDEFRRSOWYFPLW-UHFFFAOYSA-N 442.972 4.504 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1 1661061220 VZHDYLKUOXTQMU-LADGPHEKSA-N 434.513 4.747 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c(C)c1F 1661359892 GXGCJIAXWJGBGI-UHFFFAOYSA-N 442.487 4.857 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cc1 1664779059 ITPLFPAGQSBDCY-PWRODBHTSA-N 448.629 4.508 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCC)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 1666920644 VAFJYHHPDXIQMY-XMMPIXPASA-N 426.626 4.871 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)CC1 1668488600 SPLMOGHASVFRNJ-JOCHJYFZSA-N 434.422 4.596 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(Cl)cc(Br)c1OC 1668799650 RRJPBTZLQSGRSW-UHFFFAOYSA-N 427.657 4.906 30 10 IJEE CCCc1c(NC(=O)N[C@H]2CCCOc3c(F)cccc32)cnn1-c1cccc(C#N)c1 1670351760 AUOUIAQCGYRPJZ-FQEVSTJZSA-N 433.487 4.871 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(-n2cccn2)cc1 1672209341 BFURKRYWIPBUOH-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2sccc2C#N)c(Br)c1 1672812263 FDCSNLVKQRLUMY-INIZCTEOSA-N 434.359 4.904 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)CC1CCOCC1)c1ccc(Br)cc1 1674025876 NVFQMSXONZZSMV-QFIPXVFZSA-N 441.369 4.762 30 10 IJEE C=CCOc1ccc(CNC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc1 1678583657 ODQRBPDQOZZSLJ-QFIPXVFZSA-N 427.976 4.759 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 1685055720 IYXYMZHPMJAAAW-YKSBVNFPSA-N 440.609 4.740 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1689884375 SSEFPFQEYRUHCW-JOCHJYFZSA-N 436.648 4.568 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(Cl)ccc1OC 1689919472 PBDNRFRKQPOFMR-UHFFFAOYSA-N 430.339 4.705 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@H]1CC 1689921164 WWHIPDDJHFEZAR-MAUKXSAKSA-N 431.378 4.754 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1690252274 BVXLJJJOHCLIFO-NCAYHCJHSA-N 449.599 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)c1ccc(C)cc1 1690269649 CLZIVUSMMXDQHU-LJQANCHMSA-N 437.613 4.784 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@H]21 1690320569 XGKLBLTUKBJJKQ-DXBBTUNJSA-N 430.637 4.948 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1ccccn1 1690335631 CZKXJQBKLRKIOZ-UHFFFAOYSA-N 435.915 4.901 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690476874 SHXAXXBLZYQMTF-BEFAXECRSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)C)C1 1690492016 NNOPZBWPHDJKHS-LJQANCHMSA-N 439.387 4.991 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1690604499 VPZWONJVKPIVKH-SFHVURJKSA-N 445.608 4.565 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@@]1(C)OCCc2sccc21 1690605736 VJKFBSXYWJIIJA-HSZRJFAPSA-N 426.586 4.779 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C)CCCC2)C1 1690686766 TXHNABLSXKWKCW-WIYYLYMNSA-N 428.552 4.919 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1C 1690737561 PYDFKABRXGJZAB-ZDUSSCGKSA-N 425.371 4.755 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCC2(F)F)c1 1693031638 FGMVMDKNWKMYRE-GCJKJVERSA-N 447.505 4.741 30 10 IJEE COc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@H]2CSCCS2)cc1 1697347961 DAWZYLFKVLPAGW-FQEVSTJZSA-N 445.658 4.568 30 10 IJEE COCCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)CCCC1 1697940563 BLTKHDGOIFHVDB-INIZCTEOSA-N 433.959 4.930 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)(CC)C1 1705533270 WRJISUZZBVBMGI-FQEVSTJZSA-N 443.636 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2CCCOC(F)(F)F)CC1 1705778949 PIFNANDYGAZRHN-UHFFFAOYSA-N 431.462 4.822 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1705784168 KHEGFMZIYANLKR-OFNKIYASSA-N 438.616 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705788675 JFJVPTWSZWJDDU-UZUQRXQVSA-N 430.980 4.585 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)C1)c1ccccc1 1705795949 VKGYJXFQOSTWMM-PZJWPPBQSA-N 430.556 4.522 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCc1cnccn1 1705801736 PPYMXJOLJIGUQA-UHFFFAOYSA-N 441.377 4.533 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705948952 JQTZLLUZWKEVMC-LEWJYISDSA-N 437.613 4.664 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CC2)C1(C)C 1710597856 GEXWETSJUJLQJC-NHCUHLMSSA-N 437.588 4.559 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](OC)C(C)(C)C 1722304567 ZPCSDRDPCLWCFT-RDTXWAMCSA-N 439.387 4.683 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722334634 HGVHYLQGBIWADK-HXUWFJFHSA-N 438.572 4.669 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1722336921 SFWRREDGTCJTHO-LEWJYISDSA-N 426.992 4.579 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)Cc1cccs1 1722403332 PGVRJJGWDVVPHX-KRWDZBQOSA-N 435.597 4.547 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@H]1C 1722465404 LHWBUINZEVDDOQ-LSDHHAIUSA-N 439.412 4.765 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCOCCC(C)C 1722472815 KFQCYKVGCOZFNG-XMMPIXPASA-N 429.008 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(CC)CCC1 1722506131 QWDYXFABNZXKIV-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OCC(F)(F)F 1722515019 GYPDZQTUSORSHT-IBGZPJMESA-N 438.494 4.912 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722520209 YEGCDVHTBVXUAB-TYPHKJRUSA-N 439.604 4.746 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1722525365 DLAKEKDZKBHOHA-INIZCTEOSA-N 448.518 4.699 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(c2cccc(OC)c2)CC1 1722527827 CBNZYVCKUOBFBF-UHFFFAOYSA-N 436.556 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722667427 YNFWINODTHPMQT-WZONZLPQSA-N 429.012 4.682 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722734896 DWHFWPGEUMCWCE-INIZCTEOSA-N 444.992 4.593 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1cccc(C)c1 1722743041 OOFGJMKRRZMRNT-JOCHJYFZSA-N 436.629 4.709 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1Cc1ccsc1Br 1723773606 GRGSWJBNGVGIAQ-LBPRGKRZSA-N 434.338 4.695 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2CCOC(C)C)c1C 1724063479 HPFWYIKQAWKVCX-FQEVSTJZSA-N 425.577 4.590 30 10 IJEE CCCC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1727969791 FTIBSSAAICDDDM-DEOSSOPVSA-N 425.552 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC(F)(F)C1 1740539228 BNIDQCWWBUQOCK-RYUDHWBXSA-N 429.334 4.662 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@](F)(C#N)C1 1740581130 QEAJJRWZWDFQPY-VGSWGCGISA-N 429.927 4.544 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nccn2C(F)F)CC1 1740841153 IQDOVXHGSZWWJV-UHFFFAOYSA-N 442.514 4.516 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740849158 ZYIJUTAYYIAQMR-SFTDATJTSA-N 428.552 4.839 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 1740853855 BABNDUDAQKQYAL-REWPJTCUSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCOC1 1740859753 QGMDTAZHEXXIKH-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740868544 NBARMEGJMFRWDD-NQIIRXRSSA-N 437.519 4.576 30 10 IJEE C=CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCSCC(F)(F)F)C1CC1 1740909753 YQWUYUXITQCBAP-UHFFFAOYSA-N 448.518 4.581 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCSC2)C1 1740974039 BEGVWKBACIZQOR-GDBMZVCRSA-N 439.412 4.786 30 10 IJEE C[C@H]1CCCC[C@@H]1OCCn1c(CCc2ccccc2)nnc1N1CCC(CC#N)CC1 1743042798 DLODHVAFSQBDKC-URXFXBBRSA-N 435.616 4.789 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CC 1748652284 YYBGCGUCTGHCJF-ICSRJNTNSA-N 425.646 4.608 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H]1C 1748702744 CETNVDZECOTUCS-CVEARBPZSA-N 431.378 4.754 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C)(COC)CC1 1748735615 RUWYQFXKRRGKPU-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1748872434 COKIJWXVMHPXCF-YWEHKCAJSA-N 444.623 4.911 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(C)cc1 1748915058 SUKYIPOFZCTWHH-UHFFFAOYSA-N 429.387 4.780 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNc2ccccn2)CC1 1749294137 PHEWRKDDDDLYKZ-UHFFFAOYSA-N 426.927 4.791 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749366947 NIHBINPPHXYEOA-UHFFFAOYSA-N 425.552 4.530 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC(NC(=O)CCC)CC1)c1ccccc1 1749382687 OVPXPHVTHALYEN-JOCHJYFZSA-N 435.616 4.791 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1749400454 BQPRCPYKMZTROJ-KRWDZBQOSA-N 442.514 4.579 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1749403314 ZHWRHTGAXZJMOF-HSZRJFAPSA-N 441.595 4.727 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCc1cccc(C)n1 1749547602 UWSBEZQOCPASLA-UHFFFAOYSA-N 442.542 4.926 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cccc(OC)c1OC 1749550592 CZJMRHRHHMUROU-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1749554562 VNWSSILFOLLRBM-GOSISDBHSA-N 447.649 4.986 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCc1nccs1 1749748829 AMEYLYMVCIZBRX-UHFFFAOYSA-N 436.610 4.548 30 10 IJEE CC(C)C[C@H](Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C)N(C)C 1750700447 DNGYLGATXXZBRV-HSZRJFAPSA-N 434.632 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1760106517 LPQWHJSOXKFBFS-LJQANCHMSA-N 449.002 4.736 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CCC#N)CC1CC1 1760146420 MCFFQVVMGYSIPE-UHFFFAOYSA-N 426.568 4.896 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1760229093 DEJCCOCTGCRGPN-SFHVURJKSA-N 436.991 4.582 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1760237583 NSGFYFJFMLYAPM-URXFXBBRSA-N 438.616 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760322427 SOCZGBBYPLISCO-TWWGPRNNSA-N 444.645 4.876 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCN(C(C)C)CC1 1760347906 FIAFDXVNSVIJBL-UHFFFAOYSA-N 438.403 4.661 30 10 IJEE C=C(Cn1c(COCC)nnc1N(C)Cc1ccc(Br)s1)c1ccccc1 1760364176 IFTSYSHBXSOMFI-UHFFFAOYSA-N 447.402 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1csc(CC)n1 1760486580 SKGLKKKHHQJKIC-UHFFFAOYSA-N 436.610 4.970 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760504306 NUNOAQPQNMRRGW-DVECYGJZSA-N 446.039 4.748 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1760507874 MINMEKSMFZGQSP-RBUKOAKNSA-N 444.023 4.884 30 10 IJEE CC(C)SCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C#N)C1 1761325094 ALPBBDYJPFRNGD-CQSZACIVSA-N 448.017 4.684 30 10 IJEE Cc1ccsc1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1nccs1 1761612065 GZWXDEOSHOYUIE-UHFFFAOYSA-N 434.594 4.565 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)Nc2nc(C(=O)OC)c(-c3ccccc3)s2)c1C 1860322454 OWUIBDBJSONGML-UHFFFAOYSA-N 438.553 4.557 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862429029 DKLISKAQLHWLCA-OAQYLSRUSA-N 435.911 4.514 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)c1 1862459231 FNIIHQYPQAAEPW-YUNKPMOVSA-N 433.426 4.879 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(F)cc1F)c1c(F)cc(F)cc1F 1862464251 RXCDVGQNJMKUFU-LJQANCHMSA-N 437.364 4.903 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOC)cc1 1862485282 ZLWPRGVFWDZNRV-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(O)cc2)ccc1F 1862507489 MEGOCWMPGLRUQZ-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1 1862536082 QFYMDCMGXSQZBK-NRFANRHFSA-N 435.501 4.500 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862619685 AMXLFNOSLAKBDE-QFIPXVFZSA-N 435.520 4.744 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)cc1F 1862639131 RHQGHHVGADWKEU-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)O)cc1 1862654950 WDHQAUIZGLKFFX-JOCHJYFZSA-N 429.472 4.772 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1862677252 BSJMVZSBTCPDPM-IBGZPJMESA-N 435.854 4.622 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862683827 UTRAYOVTGZBDMH-HXUWFJFHSA-N 442.443 4.598 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 1862834686 AMQJFTSQYUXFJQ-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3ccc(F)cc3)C2=O)c1 1863401993 LPNOSHUBRSIXNY-UHFFFAOYSA-N 439.490 4.749 30 10 IJEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545903 SBYVAJUFTRBMEC-UHFFFAOYSA-N 425.573 4.641 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cccc(Cl)c1 1864109213 GCNBNQDBLRCGPT-LJQANCHMSA-N 430.980 4.553 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2CCN(CC)CC2)cc1=O 1870416649 IGLWWISERTWPHZ-UHFFFAOYSA-N 443.607 4.522 30 10 IJEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)c1 1871349209 QJOAYLXUOCBTKE-JLPGSUDCSA-N 432.564 4.948 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871420121 WMBVWCVXEGQLCD-UUYOSTAYSA-N 433.891 4.960 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871493734 AUERGWXXXXVONK-UHFFFAOYSA-N 432.547 4.512 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)C1CC1 1871833212 MEWNCIYDXCHRPW-HSZRJFAPSA-N 426.582 4.689 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871989855 BUJIITPCSKYIPQ-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1Cc1ccc(O)cc1 1872796406 YXPBEQJTOASOIG-UHFFFAOYSA-N 439.540 4.895 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1c(C(=O)O)[nH]c2ccc(OC)cc12 1873501508 ZXGMRKLSRWWKRU-ZMOGYAJESA-N 449.536 4.593 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(NCCCOCCCC)ncnc21 1873608091 KAOBPUMCSAYBGH-UHFFFAOYSA-N 425.508 4.627 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCCCCN3CCCC3)ncnc21 1873634103 DZIYSJWSDIEUAA-UHFFFAOYSA-N 446.599 4.774 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(N(C)Cc3ccccc3)ncnc21 1873660588 PBKNFXXJPSWCFE-UHFFFAOYSA-N 441.535 4.823 30 10 IJEE COC(=O)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1sccc1C 1874244368 BNLWZRIVLZFSGJ-FSJBWODESA-N 444.626 4.554 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874253432 BPYBFDPPCVADSI-XQNSMLJCSA-N 439.541 4.891 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(N(C)C)cc1 1874261493 UIBUFXCXSZMZDJ-ZMOGYAJESA-N 431.512 4.586 30 10 IJEE OCCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc2ccccc12 1874318089 AOVMVGWHWMMXFN-LGUFXXKBSA-N 446.576 4.800 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cc(Br)ccc1O 1874318887 OAJZEVSCCKGLKQ-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccnc2)c1 1874344275 FPRURJBOBWBCMO-YZSQISJMSA-N 429.549 4.778 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCC)c(OCC)c1 1874376490 YVGZHORUPMKVST-PCLIKHOPSA-N 440.544 4.966 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1)c1ccccc1 1874425277 ZOFKSBJUQLXRQX-HIQXPHMNSA-N 447.589 4.858 30 10 IJEE OCCCSc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874429274 AOABJPMCRDHGDH-NLRVBDNBSA-N 444.560 4.881 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2C(=O)O)c1 1874445613 GNIRBLICCUKPIC-AFEQLLIESA-N 436.537 4.619 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1 1874464346 FHXFJAHSTPUHJS-ZMOGYAJESA-N 436.468 4.638 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Br)ccc2OCCCO)c1 1874585922 MGRWLJNAPORAIK-RMKNXTFCSA-N 449.341 4.904 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cc(F)ccc3F)c2)cc1F 1874707075 MYTHSBYLXNCXDV-WEVVVXLNSA-N 442.389 4.993 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)c(OC)c1 1875178748 ZUVQRCYTQFUBJP-JLHYYAGUSA-N 448.471 4.836 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccccc2C(F)(F)F)[C@@H]1c1ccc(C#N)cc1 1889842779 COTGZSXJLQGBRA-PMACEKPBSA-N 447.482 4.609 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)ccc(F)c2Br)C1 1892678438 XYHCDACEIUKVOB-INIZCTEOSA-N 431.321 4.991 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(F)cc2Br)NCC)C1 1892684563 OBZQQDUULWOSQF-QGZVFWFLSA-N 427.358 4.722 30 10 IJEE C=CCC1(NCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CN(C(=O)OC(C)(C)C)C1 1922269185 DWAQRGSXTAUCQC-UHFFFAOYSA-N 443.588 4.639 30 10 IJEE C=C([C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922985439 LVHLWTUKLOZISZ-VXKWHMMOSA-N 433.713 4.814 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1962793873 HLJOYXDFBNQPSA-KRWDZBQOSA-N 429.399 4.631 30 10 IJEE C#CC[C@H](C[C@@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2019972389 JHHOCCWFTJIMEK-PLXFJCCSSA-N 427.585 4.631 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048495371 AVZJXYWFCCFCIC-IAGOWNOFSA-N 430.770 4.621 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 2077087990 OIBJJMVPXIZXES-UHFFFAOYSA-N 433.705 4.794 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(C)c2)C2CCC2)c(I)c1/C=N/O 2079089736 GQWHVOFOICZMLE-PGNNWUFWSA-N 437.325 4.865 30 10 IJEE Nc1cc(-c2ccc(C(F)(F)F)cc2F)nc2c(Br)c(C(F)(F)F)nn12 2081466715 QSGYMWRPEFDDPZ-UHFFFAOYSA-N 443.120 4.918 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(F)c1F 2089291839 MZGCIXQSVBBFHN-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE CC1(C)OB(c2cnc(Sc3ccc(F)cc3F)c(Br)c2)OC1(C)C 2116132895 XAPSMAVPQCVVOF-UHFFFAOYSA-N 428.107 4.573 30 10 IJEE CC1(C)OB(c2ccc(CN[C@H]3CCN(Cc4ccccc4)CC34CCC4)cc2)OC1(C)C 2154935980 GBZSNOVAVGDRTH-VWLOTQADSA-N 446.444 4.520 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](Nc2cc(Br)c(C#N)cc2F)C12CCC2 2175030873 BLZZHXJVPOMOMC-GUYCJALGSA-N 438.341 4.955 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2nc(CC)[nH]c2Br)C1 2183009054 UBQNXLJMKFTJEU-MRXNPFEDSA-N 441.414 4.636 30 10 IJEE CC1(C)CCSC(=Nc2ccc(Br)cc2I)N1 2217201334 XPSJHHMIGSJJOB-UHFFFAOYSA-N 425.133 4.546 30 10 IJEE CCc1ccc(C#C[C@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NC)cc1 2223369952 SHHRCHGMMDHXPG-JWQCQUIFSA-N 436.596 4.689 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(F)ccc(Br)c1F 2239741934 AMFIWTPKSOCGGF-OAHLLOKOSA-N 446.336 4.871 30 10 IJEE C#CC12CC(CCN1C(=O)[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(C)C)C2 2245052786 BWYIPUYMZXUVDI-GPYVYJEHSA-N 442.559 4.564 30 10 IJEE CC1(C)OB(c2ccnc(Nc3ccc(Cl)cc3Br)c2F)OC1(C)C 2266063472 YRXBVPMYYMCICH-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2267579348 QVDFYRIBGYWWLL-QPILFBHFSA-N 439.405 4.701 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)ccc21 2267581095 NHUJBOKCRRVSIH-QZTJIDSGSA-N 442.365 4.795 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1 2267612653 MKXIXYFAZMOVBT-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE C=CC[C@]1(COc2cc(N)c(Br)cn2)CCCCN1C(=O)OC(C)(C)C 2272236700 PTAWRJFZXNVAKB-LJQANCHMSA-N 426.355 4.541 30 10 IJEE C=CCCC1([C@@H](N)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2272732877 KFBPGPPMQSSQCH-INIZCTEOSA-N 431.321 4.930 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)C#Cc1ccc(Br)cc1 2296222256 QEHOSSPGYBDJNX-IBGZPJMESA-N 426.310 4.736 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc(C(=O)C#Cc3ccc(Br)cc3)c2C1 2296226177 CTQKTDBKDDWEHH-UHFFFAOYSA-N 426.310 4.934 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1c(F)cccc1I 2296257597 KYXRNGKGTJWUQP-HNNXBMFYSA-N 444.085 4.505 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2296285428 AODRRCLINVLYOB-GCJKJVERSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296296354 MYOAEXKPJMFAKU-RTBURBONSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC(F)(F)CCNC(=O)OC(C)(C)C 2296299940 AYMHCIAFPKWVRF-QGZVFWFLSA-N 445.348 4.719 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1c(C(=O)O)[nH]c2ccccc12 2321820241 BFDCXMQSRQSRMC-UHFFFAOYSA-N 437.500 4.724 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)cc1 2321973012 AYLYTTOTKROQDF-UHFFFAOYSA-N 441.531 4.896 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(OCC)ccc2OCC)cc(OC)c1OCCCO 2324398426 HTULLDDUHUCREE-UHFFFAOYSA-N 440.536 4.878 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 2324514696 CHGHSHJBELPFFA-UHFFFAOYSA-N 447.871 4.793 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2325713600 VHXWVMBZFARECG-UHFFFAOYSA-N 428.488 4.695 30 10 IJEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(O)c(O)c1 2325904370 BNUSKKZWQZSNQU-UHFFFAOYSA-N 440.569 4.868 30 10 IJEE OCCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1c[nH]c2ccccc12 2327785536 AVPQNPSUNKGCHR-UHFFFAOYSA-N 441.560 4.860 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccncc1 2328677271 DWXHHWBFICTGDF-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2O)cc1 2329992619 UDQUXGSJDLHLHC-UHFFFAOYSA-N 430.533 4.763 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1)c1ccccc1 2330611094 ZOFKSBJUQLXRQX-KRWDZBQOSA-N 447.589 4.858 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)ccc1O 2330994415 WZJCTZJTTHWBTG-SFHVURJKSA-N 444.944 4.672 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(C(=O)OC)cc1 2331324379 RJUHLHZZBJWDID-UHFFFAOYSA-N 426.517 4.721 30 10 IJEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1cc(Br)cc(OC)c1O 2331394025 UUCREZSQPZLKQI-UHFFFAOYSA-N 439.379 4.603 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C3CC3)c(OC)c2)cc1F 2331461910 VOIWFVYTBQEZMB-UHFFFAOYSA-N 449.272 4.817 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2331595319 RADAQNZUZGJRAI-UHFFFAOYSA-N 431.565 4.818 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(F)cc2F)c1 2331731204 LXULELKCHFFTKJ-UHFFFAOYSA-N 441.507 4.664 30 10 IJEE CCC[C@H](CNC(=O)OC(C)(C)C)N[C@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338519447 PZJBFDFSEVXCCM-NHCUHLMSSA-N 446.441 4.720 30 10 IJEE CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339575100 RHRIIWLSBRRWRE-UHFFFAOYSA-N 430.361 4.607 30 10 IJEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C)CN1Cc1ccccc1 2339575870 BKRRKRKCVLULID-WDMDMOOOSA-N 433.405 4.825 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360196469 RHKAUJBDQOHBKA-GSEOLPGOSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@H](O)C#Cc3cccc(Br)c3)(C2)C1 2360196474 RJXFROCEQCTLLL-SFGWALBWSA-N 434.374 4.589 30 10 IJEE C#CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 9250679 ZVILXSWJBHSICQ-OAQYLSRUSA-N 446.557 4.577 30 10 IJEE Cc1ccc(-c2nnc(SCC(=O)NC3(C#N)CCCC3)n2-c2ccc(C)cc2)cc1 10263627 LEXGVAKDNVXWPN-UHFFFAOYSA-N 431.565 4.596 30 10 IJEE O=C(/C(=C(\S)Nc1ccccc1F)[n+]1cccc(O)c1)c1ccccc1Br 22696065 HNVXUWQZWURYOU-UHFFFAOYSA-O 446.321 4.632 30 10 IJEE CCn1c([C@@H](C#N)c2cnn(Cc3ccccc3Cl)c(=O)c2Cl)nc2ccccc21 27643935 HFAKKWOXZCNYNP-HNNXBMFYSA-N 438.318 4.623 30 10 IJEE O=C1/C(=C\c2cc(Cl)cc3c2OCOC3)Oc2c1ccc(O)c2CN1CCCCC1 37857827 NWBDYRLOFJHHAT-KEBDBYFISA-N 427.884 4.514 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)(C)C)cc1 38249574 NCAXNALPHVIGOE-QMHKHESXSA-N 449.547 4.532 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 41292971 MSWMVEXTCIRHQW-MYKKPKGFSA-N 445.471 4.605 30 10 IJEE CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1 100382652 IKHLIQRKKCJVMI-UHFFFAOYSA-N 437.584 4.676 30 10 IJEE Cc1ccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102735289 LCUMJTPPJIWSNP-MYXKAAJQSA-N 442.515 4.799 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2O)c1 169931780 CTOZGPWMWAYKLB-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(C)c1 169970691 KNCUPWBLKJOQOT-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)cc1 170019564 PYYCPHQAMOVXPC-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOC)cc1 170034407 KDRWDPGCQNLTCA-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 170060073 XKVHPIPNYWQMLG-IBGZPJMESA-N 433.335 4.523 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)c1 170060636 MUUATEUBQBGCEE-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 170081166 HYLLHCRHPNDOIZ-OAQYLSRUSA-N 449.846 4.557 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(O)cc1 170136704 JYIPWWPDBZCZTM-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE Cc1ccc(-c2nc(C3=C(N)N(c4cccc(C(=O)OC(C)C)c4)CC3=O)sc2C)cc1 170179366 AIFRPTWACOFWQU-UHFFFAOYSA-N 447.560 4.709 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)cc1 170214706 ALIJTNDYCPREPC-NRFANRHFSA-N 436.464 4.514 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 170228682 YYGURIDHUNEVIG-QHCPKHFHSA-N 427.456 4.549 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(O)c1 170259043 ZHEBRLCMFZRHQU-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305300 UXHXAYPBBAWWFM-IQMFZBJNSA-N 440.455 4.566 30 10 IJEE COc1ccc(/C=C(/C(=O)Nc2oc(C)c(C(C)=O)c2C#N)c2ccccc2)cc1OC 170528276 ZOJLPMYTXWGAMP-XDHOZWIPSA-N 430.460 4.859 30 10 IJEE CCOc1cccc(/C=C2\SC(=Nc3ccc(Br)cc3)N(C)C2=O)c1O 254838251 KWTSHTBNADJRML-SKCGTWTRSA-N 433.327 4.787 30 10 IJEE CC(C)C[C@H]1CSC(=Nc2ccc(Br)c(I)c2)N1 385335597 SRXYXPWEVUVICZ-JTQLQIEISA-N 439.160 4.792 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 437462840 XFLXHRNEBWDRLL-UZLBHIALSA-N 448.523 4.924 30 10 IJEE O=C(Nc1ccc(F)cn1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 481292372 MSSIPJXBOSLJPU-CQSZACIVSA-N 437.315 4.864 30 10 IJEE C=CC1CCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)CC1 482178134 OBOMNEWSHABCHG-UHFFFAOYSA-N 428.945 4.697 30 10 IJEE N#Cc1ccc(Br)c(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 492743082 GAHRLCDSKPHUCJ-FQEVSTJZSA-N 444.760 4.922 30 10 IJEE COC[C@H]1CC(=O)C=C2C(Cl)=C[C@H]3[C@@H](CC[C@@]4(C)[C@@H]3CC[C@@]4(OC(C)=O)C(C)=O)[C@]21C 504807676 GXMMOJSSTKHQSR-RZGLKRPVSA-N 448.987 4.624 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 506044555 RWZMDQYLYDFLIB-UHFFFAOYSA-N 446.016 4.723 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ncc(C)s2)CC1 508817124 MMRDQYDYCGKAKX-SFTDATJTSA-N 435.597 4.858 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 519188156 FBGSSGGCGLFRFB-KKSFZXQISA-N 437.371 4.602 30 10 IJEE N#Cc1cccc(CC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)c1 531385950 JACNUFTYBRTRQQ-UHFFFAOYSA-N 439.830 4.910 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 535660327 BLLKUHNQYLXUAG-HNNXBMFYSA-N 430.595 4.817 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 549802601 HDHJSVRDJAZIDM-UHFFFAOYSA-N 429.383 4.803 30 10 IJEE C[C@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@@H](c2ccccc2)O1 557458021 PQVHEANCLUYWTK-MBSDFSHPSA-N 437.971 4.807 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(CCOc2ccccc2)n1Cc1cccs1 576840491 HQRLANQVUVVTHR-UHFFFAOYSA-N 429.549 4.517 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@H]2CNCC[C@H]2NC(=O)c2c(F)cccc2Cl)cc1 585827849 JJKXVBHCRFROAZ-SUWFKEJZSA-N 428.935 4.593 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(Cl)c2)c1 586249554 XNISUZLLFGECRF-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CCOc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 586253504 GQPXRMHXCLMXLS-UHFFFAOYSA-N 436.533 4.751 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(F)c1 609253298 XKHOPGLUJJZAAM-UHFFFAOYSA-N 443.457 4.689 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](Oc2cccc(F)c2)C1 669810826 VMMIMQJFOSAAAH-VABKMULXSA-N 434.515 4.506 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 698888977 BSZVTAHNMOGSOL-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)cs2)cc1 731564497 HHCPUXXUILFMLS-KRXBUXKQSA-N 436.411 4.746 30 10 IJEE Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732648996 YWTVBASLIHYWQV-BTZCDPCDSA-N 448.570 4.842 30 10 IJEE N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)CCN1C1CC1 732650896 LKMXGCDQCIJDTH-XLEPWJDSSA-N 438.531 4.517 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1)c1ccccc1 757762341 OMVXIHIFNIMPJT-FSSWDIPSSA-N 425.573 4.572 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H](C2CCCC2)C(F)(F)F)nnc1-c1ccco1 769697031 OBTMDYFHUCFVMW-MRXNPFEDSA-N 429.464 4.871 30 10 IJEE Cc1ccnc(C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)CC2)n1 775598187 AUIPVBDSRUWHKR-UHFFFAOYSA-N 441.535 4.956 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-c3nnc(CC)o3)cc2)CCCN1C(=O)OC(C)(C)C 790688301 BJAWYZUDAUBDEN-HSZRJFAPSA-N 426.517 4.583 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1=S 793522120 CYRHITYJLPAIJY-APWZRJJASA-N 440.947 4.767 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cccc(Br)c2C1 809922233 QQXLHGPFRBJUCE-UHFFFAOYSA-N 430.737 4.505 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)c1cccc(SCC#N)c1)C1CCCCCC1 1127228993 HFQBBWMGDCDGGZ-UHFFFAOYSA-N 431.602 4.992 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2=CCCCC2)ccc1Cl 1129333059 LZHASAPTMDZNOV-UHFFFAOYSA-N 444.984 4.952 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 1129589299 ZDHHCHHDBOAJKP-UHFFFAOYSA-N 433.693 4.500 30 10 IJEE C#C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccc(Cl)cc1 1129722722 NQBGFOATTQUVFV-IBGZPJMESA-N 436.360 4.571 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)nnc1-c1ccco1 1131306773 XPABKEHXEHAJRZ-DOTOQJQBSA-N 428.945 4.532 30 10 IJEE C=CCn1c(SCC(=O)NCc2cccc(OC)c2C)nnc1-c1ccc(Cl)cc1 1131492745 YILQELYCOVMBPM-UHFFFAOYSA-N 442.972 4.510 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)n[nH]2)c1C 1136005355 QYAZDKDGCCOSQI-UHFFFAOYSA-N 445.498 4.937 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cc1 1136352250 RRCOYXVHWUHFRZ-UHFFFAOYSA-N 441.578 4.650 30 10 IJEE C=CCNc1ncc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)s1 1152598032 NLCNVFFAFUINAL-AEFFLSMTSA-N 429.586 4.979 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)[C@H](Sc3ccccc3F)c3ccccc3)n[nH]2)c1 1161913748 HFERERGHWBCQQW-HXUWFJFHSA-N 429.480 4.955 30 10 IJEE COc1ccc([C@@H](CO)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 1198877295 AUUQVBHSZOWKDI-HXUWFJFHSA-N 431.492 4.565 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-c2ccc(Br)cc2)c(C)c1)C1CCOCC1 1203796399 IAGADFPZFZBXDM-OAQYLSRUSA-N 427.342 4.974 30 10 IJEE C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)[C@H]1OCCc2sccc21 1205103879 BAVCYINCBIBRSS-IVZQSRNASA-N 449.580 4.927 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC1 1216817041 BKGSBLYLIACTAF-UHFFFAOYSA-N 438.944 4.521 30 10 IJEE CC(C)[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 1226146192 HAPAANJBWZOPTE-NRFANRHFSA-N 448.464 4.945 30 10 IJEE C=CCOc1ccc(OC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 1265465351 ZSZUMWVJBLUZKC-BODNZJIQSA-N 425.912 4.905 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 1276831906 INTBPFQTFHPZPK-MRXNPFEDSA-N 434.458 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(OCC)CCCC1 1286283695 TYLATGUAPZSRHM-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1coc(-c2ccc(C)cc2)n1 1286284227 ZUFNUAFDYYBMAF-KRWDZBQOSA-N 446.942 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=C)Br 1286519328 WGEDBRJAQCQUMD-XMSQKQJNSA-N 443.389 4.936 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(OC)CCC(C)CC1 1286571331 OOAMJRKPLHLDKV-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1C)C(C)C 1286752092 WUTOSQIPKQAFEB-UYAOXDASSA-N 429.012 4.681 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS[C@@H](CC)C1 1286826057 VGMQDJVWTIFVBC-SFHVURJKSA-N 440.642 4.586 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286831248 BSDXIYSPCHXSNJ-UHFFFAOYSA-N 427.662 4.729 30 10 IJEE CC(C)C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1287338244 CZIBWNZRZFSDSW-OZXSUGGESA-N 436.648 4.560 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 1293836446 CWJLWKONJIINHY-BJKOFHAPSA-N 445.563 4.892 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)nc1 1295781144 HCSGKYSGBPZLTI-UHFFFAOYSA-N 428.565 4.699 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cc2ccccn2)ccc1C 1296977371 OVZVDNSVOOYAKK-FQEVSTJZSA-N 429.948 4.955 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1OC 1298783921 MWGOFVHNGJCUTB-NTMALXAHSA-N 431.454 4.993 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC(C)(C)SC 1300649896 PTPPXCXZQCXUGD-UHFFFAOYSA-N 443.617 4.554 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1300775840 AQGRMCWRDQJBKV-HXUWFJFHSA-N 446.711 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCN(CCC)C(=O)OC(C)(C)C 1300802850 YGMZCFYGLJDAQE-XMMPIXPASA-N 429.609 4.575 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1300843407 AXZMGGPTEGXXCK-MJGOQNOKSA-N 438.373 4.940 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1301054912 BBDXIHMBACKYPU-IBGZPJMESA-N 433.021 4.884 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C)N(C)C)CC1 1301135135 STAHFCBYGJSQMH-HXUWFJFHSA-N 425.621 4.641 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2ccccc2)CC1 1301136119 YTORXFVAHNHCQB-XLGIIRLISA-N 438.616 4.507 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1301149012 UXGINEDBUYASNP-CQSZACIVSA-N 443.539 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1301154247 NEBWFWWQZLMJHO-QHCPKHFHSA-N 431.584 4.914 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1301164465 UKXDHPFBQBEMJB-OAQYLSRUSA-N 428.540 4.941 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1301176321 WRMBODBAEKOQQK-MSOLQXFVSA-N 446.437 4.983 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1301188464 KFCAOBIVMFEILE-UHFFFAOYSA-N 429.584 4.697 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](CC)C1 1301241685 VIRRDVWIUMRJMK-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccsc1Br 1301308710 JXLQANWWXXHKSY-UHFFFAOYSA-N 447.402 4.968 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1CCCCC1 1301348484 BPCLKRIUNAFYMC-QHCPKHFHSA-N 437.632 4.629 30 10 IJEE C=CCOc1ccc(Cn2c(C)nnc2N(C)Cc2ccc(Br)s2)cc1 1301517911 CVAVZQOVBXQKPC-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE Cc1oc(NC(=O)CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c(C#N)c1C 1307539147 CGYZSGJWZUCFBT-GOSISDBHSA-N 449.338 4.507 30 10 IJEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1310603987 FOYRYJJVLMGACN-MOPGFXCFSA-N 434.540 4.899 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1313064158 IQZGFQFWCNCRQV-UHFFFAOYSA-N 427.539 4.984 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c1 1352789512 DFEZPZYEBOQKFH-UHFFFAOYSA-N 433.529 4.719 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)OCC)OCC 1355459410 PCOTZHCWLAZVRP-KRWDZBQOSA-N 432.498 4.810 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cc1 1355485546 DCHQTVSKLAQNEY-UHFFFAOYSA-N 443.894 4.683 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1358910823 CGKABLPOAVMOBY-UHFFFAOYSA-N 426.008 4.715 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1ncc(CC)s1 1358988246 JASMDWHDKZPADP-UHFFFAOYSA-N 445.636 4.967 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](CC)N1CCCC1 1359066834 RFJYFDLXQKQGJW-FDDCHVKYSA-N 429.971 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H](O)C1 1359074924 WXPBBEKZJSOLOK-WCAVRKLYSA-N 445.032 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC[C@H]1C 1359110638 VTVDYKLQQDNDGN-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1359111166 QTLGRBQIBVKODD-OFNKIYASSA-N 432.572 4.514 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1359118778 CBJJFIHBYODAFS-GOSISDBHSA-N 431.378 4.537 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1359260248 XZNANGRFXIVZHG-NZQKXSOJSA-N 435.547 4.597 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 1359306914 UZAMNFMCBMHTAA-GPMSIDNRSA-N 438.494 4.561 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1359325915 OXJAFURISVBSHU-FPOVZHCZSA-N 446.542 4.772 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359340110 BIAYZPQAYOYNFC-KRWDZBQOSA-N 444.004 4.514 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 1435690372 CUPBXHKHENZHNT-QGZVFWFLSA-N 429.289 4.591 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@@H](C)COC 1437605359 FGNTWJXDOXOVMM-INIZCTEOSA-N 445.357 4.673 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 1454272155 YQJKGWBXDYNSPN-NHCUHLMSSA-N 443.588 4.578 30 10 IJEE COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1455968536 BNWIJLQYRGROQS-HXUWFJFHSA-N 434.879 4.518 30 10 IJEE C=CCn1c(S[C@@H](C)c2nnnn2C2CCCCC2)nc2cc(Cl)ccc2c1=O 1458738599 ZDUXMNUVDBXKIZ-ZDUSSCGKSA-N 430.965 4.581 30 10 IJEE C=CCn1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1ccc(C(C)(C)C)cc1 1458780602 ZZUQFPGTTVATIF-UHFFFAOYSA-N 441.689 4.937 30 10 IJEE C#C[C@H](NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)c1ccc(Br)cc1 1460785919 ODGHCFHYWZNMAS-IBGZPJMESA-N 437.341 4.566 30 10 IJEE C#CCOc1cccc(Cl)c1CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1462047785 BJKRZYXMSACEMS-UHFFFAOYSA-N 428.960 4.879 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 1464750768 VXSCVNPEWJBNKX-INIZCTEOSA-N 434.537 4.617 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1469307486 MLZMSHHJYYZAKD-KRWDZBQOSA-N 438.881 4.730 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)[C@H]1CCc2ncsc2C1 1469799532 MSCMQJZZSJXSNY-HKUYNNGSSA-N 435.634 4.879 30 10 IJEE C=CCn1c(SCCOc2ccc3c(C)cc(=O)oc3c2)nnc1-c1cccc(OC)c1 1472999604 XLDNDUXIOBKVBT-UHFFFAOYSA-N 449.532 4.726 30 10 IJEE C=CCN1CC[C@@H](N(C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)C1=O 1473424342 SWGSLHRYKYBNMB-YADHBBJMSA-N 432.486 4.934 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(C(=O)N(C)C3CCOCC3)cc2)cc1OC 1474172986 OZSGQOTXOXLXHW-UHFFFAOYSA-N 444.959 4.777 30 10 IJEE C=CCn1cc(CNC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)nn1 1476044230 KRIGCUGVYMGGEI-UHFFFAOYSA-N 435.381 4.736 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 1478310217 DROWFRBNGHZILH-LAUBAEHRSA-N 431.374 4.965 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N 1500539263 AQRHBFDFWKAYKV-IRLDBZIGSA-N 447.631 4.743 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(Cl)s1 1507609727 FDIFCBSAJIZSDF-UHFFFAOYSA-N 439.741 4.679 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1nccs1 1507748524 OJSNZVXJHGJOQR-OAHLLOKOSA-N 443.667 4.591 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccc(Cl)s1 1507755479 VDUYVPFPOSDTGH-INIZCTEOSA-N 425.023 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)c1cc(C)oc1C 1507814622 BSUSJHJFACDZMV-DEOSSOPVSA-N 444.526 4.667 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCSC2)C1 1507957140 WCBUNWNUSHCIPD-QFIPXVFZSA-N 430.643 4.879 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H](OC)C(C)(C)C 1507999197 YMLMVVDUVUKYGL-JOCHJYFZSA-N 435.572 4.602 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1OCCC1(C)C 1508023091 AIEJDKMMCRCGLO-HSZRJFAPSA-N 431.584 4.699 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1C(F)(F)C12CCC2 1508038268 HIUWSEOVHYKYOL-GOSISDBHSA-N 436.934 4.597 30 10 IJEE C=CCn1c(N(Cc2ccccc2F)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066144 FOVBNJPYJBOLFN-HDICACEKSA-N 441.551 4.543 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@]2(C)CCO[C@@H]2C2CC2)o1 1510782933 ADOHGJBWSXSNQA-QPPBQGQZSA-N 425.577 4.818 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)C1 1514854052 CZRRYVKEOHYGFI-HZPDHXFCSA-N 435.403 4.580 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)cc1 1520476737 CWGJUWSESOFPIX-UHFFFAOYSA-N 446.469 4.975 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)OC2CCCCCC2)c(C(=O)OCC)c1C 1524510438 XOCVOHPUMLJIKU-OAHLLOKOSA-N 437.558 4.642 30 10 IJEE C=CC[C@]1(C(=O)O[C@H](C)c2ncccc2Br)CCCN1C(=O)OC(C)(C)C 1524942787 BWKVMAQZOUTOOL-JLTOFOAXSA-N 439.350 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1526439124 JIRQQPDAYXJKCR-HXUWFJFHSA-N 435.326 4.952 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc(Cl)c1Cl 1530295037 HNAKCMOKROLHMM-WCQYABFASA-N 436.726 4.749 30 10 IJEE C#CCN1CCC(C(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)CC1 1530825920 GZFZTOIKEWWAJE-UHFFFAOYSA-N 431.305 4.664 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1OC 1534887811 IVFKBUBYWHGKRN-DKISHCGFSA-N 444.934 4.803 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cncc(Br)c1C 1536693939 AGZXPMUVSUBEIF-UHFFFAOYSA-N 442.126 4.883 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1)c1ccccc1 1539185171 AAWUXYKQEUHLCV-LJAQVGFWSA-N 428.535 4.681 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1539194310 XACREGPZSHFKEB-AZGAKELHSA-N 436.600 4.564 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCOC 1539620753 NIUACTRTDGJFLS-RBBKRZOGSA-N 426.605 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@@H](C)O[C@H](c3ccsc3)C2)nnc1C(C)(C)C 1539640802 JRJFRULFLMHZDQ-JYBIWHBTSA-N 430.618 4.585 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1539712220 TZFZHBCLGABYQE-AZUAARDMSA-N 432.996 4.831 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCCCN2CCCCC2)CC1 1539846866 XQHCYPOWLWQGGP-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1539856226 UZMYRAHVWKTRSX-HSZRJFAPSA-N 441.595 4.663 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCSCc2ccccc2F)CC1 1539887258 AJEPVFRHCGAHQS-NRFANRHFSA-N 430.593 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1539911211 YFTMMHGCICUPOE-IBGZPJMESA-N 433.556 4.609 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCCCC1 1540191447 LPHASCMSHNWDFE-UHFFFAOYSA-N 439.648 4.757 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@H]1C 1541073374 YAJRIRXGXFIOGU-YAEBDLLGSA-N 438.955 4.809 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 1557178537 LKNHRXUIRRCKTQ-BXWFABGCSA-N 446.979 4.741 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccccc1 1557391886 ICMPJLIHOCUAIG-XMMPIXPASA-N 439.563 4.737 30 10 IJEE C=C(C)COc1cccc(NC(=O)N(C)[C@@H](CO)c2cc(OC)ccc2Br)c1 1562324000 BWFFKHMMMSMBNS-FQEVSTJZSA-N 449.345 4.610 30 10 IJEE COc1cccc([C@H]2C[C@H](N(C)C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2)c1 1562537309 BUNVYGJFUVOWSI-RUCARUNLSA-N 435.915 4.816 30 10 IJEE COc1cc(NC(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)c(F)cc1C#N 1563098907 GQBAZSUWMNADLS-AWEZNQCLSA-N 431.895 4.855 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C 1564719636 LGVBNFBTHUVFEF-IERDGZPVSA-N 448.380 4.977 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1567926560 QIQQOLSWECGODM-VWLOTQADSA-N 446.538 4.539 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2 1569100601 OGDZHXFOXMXJQO-KRWDZBQOSA-N 449.617 4.617 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc2ccccc2n1C(C)C 1586698619 ICZBVUDFYOLLET-IBGZPJMESA-N 428.577 4.526 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCc1sccc1C 1588253898 IIQUULCSKAAFIV-UHFFFAOYSA-N 434.634 4.954 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC2(CCC2)C[C@H]1CC 1589109603 HDGBORARVMIMFJ-OAQYLSRUSA-N 438.641 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC1(C)C 1589171985 WIXHJVMJQYTLOA-OYHNWAKOSA-N 443.389 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1sc(C)nc1C 1589177768 MDCIKNSCNWUOPR-OAQYLSRUSA-N 429.952 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)CC1 1589495791 UDXFZZHDAQLQBQ-DXIQSLLYSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(Cl)=C(Cl)C1 1589529954 QVCDIZBYMMKLKQ-BEFAXECRSA-N 434.371 4.529 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCN2CCCCC2)CC1 1594127629 BYGXTUIBVKOYCN-UHFFFAOYSA-N 448.615 4.541 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1594497603 JYQNTOZFZNSICQ-GOTSBHOMSA-N 438.616 4.960 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2c(ccnc2O)C1 1594680473 SKFQDBHPFPTGII-INIZCTEOSA-N 439.947 4.701 30 10 IJEE C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CN1Cc1ccccc1 1595424132 CKEQCNCAHORRGD-GHTZIAJQSA-N 429.495 4.882 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2c(C)nn([C@@H](C)CC)c2C)[nH]n1)c1ccccc1 1603511055 RGIHXQDVCGGOET-INCQDFKNSA-N 425.558 4.714 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 1616287833 XJWZXNATPRWOSY-OAQYLSRUSA-N 444.362 4.797 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC)c1ccccc1 1623132039 RVHIIJJMKAFAEN-LJQANCHMSA-N 445.585 4.601 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@H]3[C@H](O)c3ccccc3)c2)nc1 1623142692 FXHFMNUWQYGANO-LADGPHEKSA-N 428.492 4.866 30 10 IJEE N#Cc1ccccc1OCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1623583825 IERVONWBZBDYHD-SANMLTNESA-N 445.950 4.524 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccnc(OCc2ccccc2)c1)c1ccc(Br)cc1 1624195058 GLPIPJGQWUPUEM-HXUWFJFHSA-N 436.309 4.919 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCC)c2ccc(Cl)c(Cl)c2)c1 1625856058 VIAIKEDIVYMYJT-LJQANCHMSA-N 441.380 4.729 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N(Cc3ccccc3)Cc3ccccc3F)C2)c(F)c1 1626951924 BZZQNCNGVSNUGE-QFIPXVFZSA-N 431.486 4.892 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1)c1ccc(Br)cc1 1628707048 GVZCGBNGPALLPI-BEFAXECRSA-N 445.357 4.980 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(F)CC1 1636755694 FUYHNTGUDSUABA-DEOSSOPVSA-N 436.527 4.820 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(F)cc1F 1638777979 BAFCFDQMFBIUSZ-ZDUSSCGKSA-N 439.684 4.702 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc21 1645806618 CDUHTTGRNQSQSS-INIZCTEOSA-N 429.307 4.521 30 10 IJEE N#CCCN(C(=O)COc1cccc(OC(F)(F)F)c1Br)c1ccccc1 1652132083 FSAWSQOYWQEZTK-UHFFFAOYSA-N 443.219 4.673 30 10 IJEE C[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)[C@H]1CNC(=O)OC(C)(C)C 1655297535 WMUTUQPTJVZCDQ-WFASDCNBSA-N 426.330 4.589 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](COC)c2ccc(F)c(F)c2)cc1OC 1657066755 OKPJKQZRVWNZPA-GOSISDBHSA-N 442.300 4.778 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)Cc2ccccc2)c1 1657774328 FGEDZCNVQJEQTQ-UHFFFAOYSA-N 439.559 4.699 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2csc3ccc(Cl)cc23)cc(OC)c1OC 1659833130 BYYALQSWQMPKMX-UHFFFAOYSA-N 437.970 4.779 30 10 IJEE C#C[C@@H](N[C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 1659877669 CXHVTNCBMRWRKT-HRAATJIYSA-N 439.353 4.568 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cn(C)nc1C(C)(C)C)c1ccc(C(F)(F)F)cc1 1668177939 ZTLLEJYSFHCQIW-INIZCTEOSA-N 429.508 4.722 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)cc1)c1ccc(F)cc1 1669360540 VPSUOKDSADITLY-JOCHJYFZSA-N 427.522 4.993 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 1675382026 UOQWGWAPSNRPTL-JOCHJYFZSA-N 443.588 4.990 30 10 IJEE CN(CC(C)(C)C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1675819019 FLJLCEZKBGOAPL-IBGZPJMESA-N 431.005 4.692 30 10 IJEE C#CCN(C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)[C@H]1CCCc2ccccc21 1676605644 JEURXNRSKCKPFQ-XXAUWVGASA-N 445.607 4.518 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1 1676636697 ZGWIDESORVNPSS-QGZVFWFLSA-N 441.247 4.564 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 1677639482 RPIRPLOOHBLQFN-OAQYLSRUSA-N 441.369 4.768 30 10 IJEE C#CCC1(O)CCN(C(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1 1679543257 WSDOEQYYLQDVBG-UHFFFAOYSA-N 433.335 4.846 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(Cl)cc(Br)c1)C(C)C 1681567943 LNDPMXOUSFHRJA-GOSISDBHSA-N 428.802 4.600 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1 1682356947 PLWASOPKDCPLCX-PXNSSMCTSA-N 442.313 4.621 30 10 IJEE C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(NC(=O)c2ccncc2)cc1 1684592695 DBGLWDFBXZMRIQ-XDHUDOTRSA-N 439.519 4.643 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1686174180 ZIDWVYQKTHBVCY-QRWLVFNGSA-N 437.531 4.917 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 1686924518 DVPRHTOKGBPALT-RTBURBONSA-N 425.342 4.634 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690024208 WNUFSZHHFQAFIE-SFTDATJTSA-N 428.502 4.820 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCC1(COC)CCCC1 1690062508 RSJWIHIRCKABBW-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)CC 1690251403 USNBJILEDCOMGH-AVRDEDQJSA-N 432.996 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCCCCC2)nc1 1690264597 XVXQSOPIBXGAQU-JOCHJYFZSA-N 438.620 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1690265363 NFZJQYHMFBFBAI-LJQANCHMSA-N 449.640 4.658 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N1CCC(C)CC1 1690271485 QQVBXTVUHXUUDH-QFIPXVFZSA-N 425.621 4.688 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1690379454 QZRHDTABVSKIOK-UHFFFAOYSA-N 443.473 4.562 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC2(CC2)C1 1690420449 OEYYIOQJUMTWLL-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](OCC(C)C)C1 1690424322 KVUQUVQTJQZPJJ-LJQANCHMSA-N 426.561 4.527 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)c1cccc(C)c1 1690599004 IOGPHPCCRHUERC-OAQYLSRUSA-N 426.568 4.807 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 1690733706 LIJKVSMAJJHDIX-UHFFFAOYSA-N 439.673 4.813 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1ccncc1 1705668751 SOFJCUZUQLZNPD-HOYKHHGWSA-N 435.959 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCOC(C)C 1705668883 WIOQNMOPNSYULO-WZONZLPQSA-N 430.980 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CC[C@@H](OCC)C(C)C 1705671574 PGRLENQLDBCAFT-ATIYNZHBSA-N 431.584 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC(C)(C)C1 1705698566 WCCMHQHPUDKJBW-PGRDOPGGSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 1705701597 HFNXGRDMTNHUMV-CJARVAHZSA-N 443.680 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCCCC1 1705712920 LZNUXSZVSQMIEF-UHFFFAOYSA-N 446.437 4.986 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)CC[C@@H]1C 1705740177 DNWDFMYMGVELMM-MOPGFXCFSA-N 430.618 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705788550 DYXQDCFWDZQWPY-JOCHJYFZSA-N 437.632 4.950 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705827524 IEIZVWMQKDZKJJ-CEWLAPEOSA-N 440.588 4.570 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccs1)C1CC1 1705856591 YCTCXKXBHQNPKU-SFHVURJKSA-N 429.590 4.615 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCc1ccsc1 1705859884 HUFPUYPFJZEZOT-QFIPXVFZSA-N 433.581 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1oc(CC)nc1C 1705866379 OOPUZXQNIYJPHK-SFHVURJKSA-N 427.574 4.681 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(F)F)C1 1705912484 LMUZAFHYWKOMNH-GOSISDBHSA-N 428.483 4.941 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC(C)(OC)C1 1705940577 JIURFOMCHDTMCM-UHFFFAOYSA-N 435.018 4.958 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1705942370 QEIINKJZRVVYSY-IEBWSBKVSA-N 430.618 4.896 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCC2(C)C)c1C 1706980741 HGDNGFHQLLWCMF-HKBOAZHASA-N 437.588 4.590 30 10 IJEE Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)n1 1707608226 ADKLOHJMFHDHBC-UHFFFAOYSA-N 428.565 4.851 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1722311410 VSTNAEMYZYEPJD-ICSRJNTNSA-N 427.574 4.767 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)[C@@H](C)CC 1722345322 ORPMAZVKCIGUTA-ZAAXVRCTSA-N 432.996 4.819 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](CCC)C1 1722479406 FLFCEPGTTSKXEW-INIZCTEOSA-N 431.334 4.605 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722531932 WTKRPMQJTKIIEE-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1722564885 UDGMOVPLSYVWQT-ACRUOGEOSA-N 440.588 4.524 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)CC(C)(C)C1)c1ccccc1 1722593846 BMXDQRHLLVNKLO-IRLDBZIGSA-N 435.616 4.746 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N1CCC[C@H](C)C1 1722635751 VHDCTXJRWMYCBY-GJZGRUSLSA-N 438.439 4.512 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C1CC1 1722661961 SOQCRSPIWXHQOX-SFHVURJKSA-N 429.977 4.673 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(C)CCCS2)C1 1722719154 XWKZGMPQAPRFDX-VGOFRKELSA-N 449.020 4.674 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cscc2C)C1 1722721141 DGLQECCLXKIBGT-FQEVSTJZSA-N 444.988 4.710 30 10 IJEE CCOC1(Cn2c(COc3ccc(C)cc3)nnc2N2CCC(CC#N)CC2)CCCC1 1728832232 CLOSSNCIIWHQTR-UHFFFAOYSA-N 437.588 4.645 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1740743855 GYPYVAXFTCQRPT-CXAGYDPISA-N 441.320 4.904 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](CC(C)C)C1 1740759473 JJJTVDDBKNPAET-XTJBDQBJSA-N 438.616 4.731 30 10 IJEE C=C(C)Cn1c(N(CC)CCc2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740785332 VZOLZICRCXBQJG-HDICACEKSA-N 445.633 4.755 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CN(C)CCCC)CC1 1740785971 KNOUILFBCMBNFJ-FGZHOGPDSA-N 431.669 4.721 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1740841943 GVXWMXUGWPFNEP-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1740865073 ILCRBLFNNZNYSO-LJQANCHMSA-N 428.650 4.707 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@@H]2C1 1740868048 CFKOICFPHCTIKZ-AZUAARDMSA-N 429.996 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740869078 ADVQFTVAIYJGCV-SJLPKXTDSA-N 433.394 4.986 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(CC)CCOCC1)C1CC1 1740907388 XHWYNQHGHKZATN-GOSISDBHSA-N 428.552 4.919 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1C 1740920236 JFZORVAOJBVBNZ-WIYYLYMNSA-N 436.579 4.908 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H]1OC 1740935956 CJSDBCNAVRVISC-AZUAARDMSA-N 441.963 4.637 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1744853391 DTJRDULBHLYWJZ-IRXDYDNUSA-N 445.409 4.992 30 10 IJEE CCOc1c(Cl)cc(Cn2c(C3CCCC3)nnc2N(C)[C@H](C)CC#N)cc1OC 1746757298 BLVDERMXTZHORV-OAHLLOKOSA-N 431.968 4.783 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCOc1ncccc1Cl 1747730073 CRSTWIBIAWAVNT-UHFFFAOYSA-N 438.963 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCSCC(C)C 1748649661 RGTDDBBFUWVENT-CQSZACIVSA-N 439.398 4.694 30 10 IJEE C#CCCCn1c(N(C)[C@@H](C)c2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748763095 XCCJKAGBXLHLHX-OKZBNKHCSA-N 443.617 4.721 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1(COC)CCC1 1748771210 IWKIEDHZNOJBET-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCSc1nccs1 1748833016 FWQPJSPRFRJXQG-UHFFFAOYSA-N 449.649 4.954 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1Cc1cc(COC(C)(C)C)on1 1748914282 HZOXFUYQAAPCME-UHFFFAOYSA-N 433.512 4.502 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCCN1CCCC[C@@H]1C 1748918489 HMKSKLHCODEVID-NRFANRHFSA-N 430.600 4.607 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1749046734 DUDRTVJNLQPNAN-VXKWHMMOSA-N 438.641 4.802 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OCCC)nc1 1749069004 SOXPJMHEDQIVAF-RUZDIDTESA-N 449.986 4.747 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(C)C1CCC1 1749119811 XGZYOHGAESXTET-YDHSSHFGSA-N 440.588 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCCCc1ccccc1 1749130642 NIOSISSNYKEZFM-VXNXHJTFSA-N 438.616 4.612 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1749131509 SVSOPMNMOCZPQD-AUSIDOKSSA-N 439.560 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1749149118 SADXJCKTQIMIIK-UHFFFAOYSA-N 446.502 4.937 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1749366236 AHLFMDAXJDRFMC-YADHBBJMSA-N 440.588 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1749367682 YLDKDJWPDQOJEG-UHFFFAOYSA-N 435.616 4.809 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2oncc2C1 1749390147 BEHZFKQFZVNMTN-MRXNPFEDSA-N 427.936 4.979 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749391837 SUQVMUQQRFFXRN-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1749402004 HLAWZKZRDTZFPL-RBUKOAKNSA-N 430.980 4.840 30 10 IJEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(Cc1ccc(F)cc1)C(C)C 1749424605 LDTJEJGGFSVUHD-UHFFFAOYSA-N 425.508 4.526 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1749545160 VWHITXXESBJRRN-NFBKMPQASA-N 444.595 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1cccs1 1749550910 LCGMXOQYXKFWDS-QGZVFWFLSA-N 441.626 4.523 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCOc1ccc(F)c(F)c1 1749586088 LOBMNPLHQYKCDD-UHFFFAOYSA-N 430.499 4.761 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1749616174 UKAUWCIXVRZJRF-CTNGQTDRSA-N 439.604 4.747 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCN(C(C)C)C(C)C)C1 1749696080 PHTGDIBLHXKBPQ-OAQYLSRUSA-N 437.588 4.591 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCOC4(CCCCC4)C3)n2CCCC(F)(F)F)cc1 1750382406 GDQUVTHBRILOKB-UHFFFAOYSA-N 433.478 4.699 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cccs2)CC1 1752493450 GRBAWAWENBTWTK-UHFFFAOYSA-N 434.613 4.637 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 1760239431 IUJWGWZIINTVIX-UHFFFAOYSA-N 435.380 4.928 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1CC 1760274350 NFOGOYRCKRZEAH-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC2(C1)OCCO2 1760330165 UQJFQBVGYDAKAL-OALUTQOASA-N 444.551 4.503 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1760352630 UJFAMORKBSEQGY-OXJNMPFZSA-N 436.959 4.755 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1760376413 PDXCBTXGYUDDOY-JWTNVVGKSA-N 438.016 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)cc(F)cc2C1 1760414790 CUTRFXMQGUVXAX-UHFFFAOYSA-N 440.542 4.583 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1760478692 PCIZJKOVCDJTQN-OAQYLSRUSA-N 448.615 4.527 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2c(F)cccc2SC)C1 1760550136 SNWHOWPCGDFZOC-SFHVURJKSA-N 430.593 4.701 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1760566845 HHMDUUHBTAAYOX-UHFFFAOYSA-N 449.624 4.576 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C)C2)CC1 1761084867 DFUJZGSLGOZBDN-OAQYLSRUSA-N 434.632 4.811 30 10 IJEE Cc1cc(C)n(-c2ccccc2Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)n1 1762403846 FXKLLTYTEICEPC-AREMUKBSSA-N 445.615 4.848 30 10 IJEE CCCC(O)(CCC)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1763890210 DRPCDHNNAPJRPB-SIKLNZKXSA-N 439.604 4.572 30 10 IJEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1cccc(C(=O)O)c1 1772733451 ALXVCFAMPVFTCN-GNYMFXGWSA-N 443.322 4.937 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)NCCn2ccc3ccc(Br)cc32)c1C 1860304413 KLDYJLQCPMXOQU-UHFFFAOYSA-N 443.389 4.542 30 10 IJEE O=C(/C=C/c1ccccc1Br)C(=O)Nc1ccc(Br)cc1F 1860726282 LTZAGLMBKRASJQ-VMPITWQZSA-N 427.067 4.572 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 1862379811 LNFGFJDUAXFNTG-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)c(O)c2)ccc1F 1862503101 PNYYCUTZEACMHL-QFIPXVFZSA-N 439.483 4.846 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(Cl)cc1 1862569071 FIJBHWUKDJEOFO-ZUOKHONESA-N 429.900 4.734 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862591122 DJJVNOIFAURDNI-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862596965 XLPYIKGJOXKGCT-DEOSSOPVSA-N 442.515 4.545 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862616045 PFAQNLIYOPSRMH-OAQYLSRUSA-N 435.520 4.917 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1 1862662722 LKFGICZPCDYWKX-JOCHJYFZSA-N 425.500 4.954 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 1862735352 IRNCNBDBIKHXGB-FQEVSTJZSA-N 426.444 4.893 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1863179975 NWYUDLNBOOZAAQ-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccccc1 1863994182 IDGUXTQZKQVJLU-JOCHJYFZSA-N 448.526 4.536 30 10 IJEE CC(C)(C)CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccccc3)n2)CC1 1868355126 ZCPMKUKMIVNJEP-UHFFFAOYSA-N 426.568 4.927 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC)c1ccc(Cl)cc1 1868835829 WCHVDLQWMYMLSV-PKTZIBPZSA-N 442.962 4.901 30 10 IJEE CC(C)(C)n1nc(N2CCC(Cc3ccccc3)CC2)nc1NC(=O)c1cccc(C#N)c1 1869937796 DYABYGAECKCVDE-UHFFFAOYSA-N 442.567 4.616 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870111412 MGXAWAKOIXZTJR-LSDHHAIUSA-N 446.725 4.900 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCCC1 1870532221 KFYBNEGBJIUIQZ-JOCHJYFZSA-N 447.664 4.878 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)noc2C)cn1CCc1ccc(C)cc1 1870563231 REJMYQWGOLNEKG-UHFFFAOYSA-N 447.579 4.757 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871886157 OFJLULHSXGIMIJ-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872245474 SSFATXHIENVHFS-QFIPXVFZSA-N 428.598 4.842 30 10 IJEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763469 MWKKGRSTRZCKIE-QGZVFWFLSA-N 437.433 4.744 30 10 IJEE CC(C)C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872766583 LWZHRFZOWMCALV-PZJWPPBQSA-N 443.528 4.697 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2c(C)cc(C)cc2C)C1=O 1873330321 YPOXLACYUOSCAC-UHFFFAOYSA-N 445.563 4.882 30 10 IJEE COc1cc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SC)ccc1O 1874198356 YAPNFMWOYAVJLZ-PCLIKHOPSA-N 448.548 4.761 30 10 IJEE CCc1ccc(/C=N/n2c(CCCOc3cccc(C)c3)nnc2SCCCO)cc1 1874247621 NNWYEQSDBCKBRO-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCO)n2/N=C/c2cccc3ccccc23)cc1 1874254351 XGYLBMWDISOAPD-NLRVBDNBSA-N 446.576 4.718 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874278777 CNYAVYVXGDLBGD-ZMOGYAJESA-N 440.956 4.965 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccc1Cl 1874297178 ODBDKJOLFPVKEI-WSDLNYQXSA-N 427.917 4.981 30 10 IJEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccncc2)cc1 1874345964 PDUGIFFNIGVLFY-YZSQISJMSA-N 429.549 4.778 30 10 IJEE Cc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCC(=O)OCC(C)C 1874408581 DTCJKWBNEVDGGW-ZVHZXABRSA-N 428.602 4.883 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)(C)C)cc1 1874485610 FLPADKXOKCXNHI-CVLFLDGLSA-N 449.624 4.990 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(COC)nnc2SCc2ccc(F)cc2)cc1 1874500093 GPWIGMNBKGLFMB-ZVHZXABRSA-N 427.549 4.584 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874511150 MUIDMKWMMXXKFT-FSJBWODESA-N 446.960 4.781 30 10 IJEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1 1874572801 GNMVNEXSUGDXFO-JXMROGBWSA-N 431.916 4.501 30 10 IJEE C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OCCCCCC)cc1 1874667493 IHYHRWWDOJENAX-VWLOTQADSA-N 447.579 4.770 30 10 IJEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1[N+](=O)[O-] 1874705982 JXDVTVRBSJUWEZ-RMKNXTFCSA-N 445.427 4.790 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OC(=O)COCCOC 1875096135 YQZPTMWXPHKNGB-XYOKQWHBSA-N 434.488 4.703 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875136294 IECNZUAWPZLGLC-GXDHUFHOSA-N 432.472 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1886450414 WWWSWDJIAQYOOZ-RBUKOAKNSA-N 429.561 4.961 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1890373568 NXLBHTKKZNRORX-UHFFFAOYSA-N 449.352 4.610 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc21 1890714390 YIMNPJHAFOQIMH-UHFFFAOYSA-N 428.916 4.604 30 10 IJEE CN(C)CC#CC1CCN(C(=O)c2cc(-c3ccc(C4CCCCC4)cc3)nn2C)CC1 1891026011 RGUZSZOJYAKWEM-UHFFFAOYSA-N 432.612 4.552 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2ccc(C(F)(F)F)cc2)c1 1891153735 UMWUKTGZJSXONV-UHFFFAOYSA-N 432.486 4.683 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)[C@@H]1C(F)(F)F 1903074285 ACTXSHBMBJUQRF-AUUYWEPGSA-N 433.471 4.610 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(CNCC)c(Cl)cc1Cl 1914951127 ZTNZGCGJDADTGZ-UHFFFAOYSA-N 427.397 4.870 30 10 IJEE Cc1ccc(C#N)c(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)n1 1959291002 WJRUFLPSJSBAAY-UHFFFAOYSA-N 428.492 4.534 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C=O 1985135829 YBQFYQBSMFKVCU-MHPIHPPYSA-N 448.563 4.520 30 10 IJEE N#Cc1cccc(Nc2cc(Br)c(Br)c(Br)c2)n1 2034335276 RDZNTVKFLVFYCQ-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](OC)C1CCN(C(=O)OC(C)(C)C)CC1 2067705359 KKZSDBWMCXCKPU-RPWUZVMVSA-N 446.632 4.790 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(O)c1 2079849186 TXWQKTJFFHTAAD-QGZVFWFLSA-N 436.350 4.855 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100158059 WSJJGJPUEBMFNP-RPWUZVMVSA-N 435.417 4.802 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2118196156 DJTRSQCBHKWDKG-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2cc(Br)cc(F)c2C#N)C1(C)C 2127897976 NPYBHYHYMAPJNE-BZNIZROVSA-N 426.330 4.811 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CO[C@H](C(F)(F)F)C1 2129096422 IKGZGHRIBVQFBG-BBRMVZONSA-N 435.240 4.804 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@@]34CCC[C@@H]3CCN4Cc3ccccc3)cc2)OC1(C)C 2197366033 YUIPFPHGXFOSMM-YWEHKCAJSA-N 446.444 4.520 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2231187253 UIZBRNNQDPBTPO-AEFFLSMTSA-N 427.383 4.968 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2235725731 DSTGAFFWKCRPFJ-AZUAARDMSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2235730779 PASYUSMMQGUJKX-NSHGMRRFSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CC3)sc2Cl)OC1(C)C 2243422538 HGLRBGLMFVBNND-UHFFFAOYSA-N 431.794 4.753 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)Cc2c(F)cccc2B2OC(C)(C)C(C)(C)O2)CO1 2273788155 SESHVTGPQKNVQI-FQEVSTJZSA-N 439.380 4.695 30 10 IJEE N[C@H](C#Cc1ccccc1Cl)c1ccc(Br)cc1I 2277836737 CYUSATZDEFUUJX-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE C=CCCC1(C(=O)Nc2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2281048167 NNLIEGUGZZKKOU-UHFFFAOYSA-N 445.304 4.869 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 2296136229 WFAJPTPEMBAGEQ-OAQYLSRUSA-N 426.582 4.635 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296226871 JXQUXTMGVQDIQZ-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](N)C#Cc3ccc(Br)cc3)CCCC[C@H]12 2296293309 ICKTXISUWRSJPE-DXIQSLLYSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C 2296295791 HHSYDFSEKCUFQS-AHRSYUTCSA-N 437.422 4.964 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296300723 LUPXZQJEIVWPGB-HZPDHXFCSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)NCC1(C[C@@H](N)C#Cc2ccc(Br)cc2)CCCCC1 2296309539 WYIURYUNXQTIQP-IBGZPJMESA-N 435.406 4.993 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296310243 HFDYXAXTHSRNST-HKUYNNGSSA-N 435.406 4.672 30 10 IJEE CCN(CC)CCCN1C(=O)C(=O)C(=C(O)c2ccc(C)o2)[C@H]1c1ccc(C(C)C)cc1 2297057042 IIQGBKNQHCOHHF-HSZRJFAPSA-N 438.568 4.865 30 10 IJEE CN1C(=O)C(=C2SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)c2ccccc21 2314541695 AYVGDYXQKCVTOD-UHFFFAOYSA-N 446.919 4.890 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2O[C@H](CC)C(C)=O)SC1=Nc1cccc(O)c1 2314927639 IMPDAKYQJWXKCS-HXUWFJFHSA-N 436.533 4.929 30 10 IJEE CC[C@H](CNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317336388 VFMYBGWTVVQHFP-GZKZCVOOSA-N 432.370 4.656 30 10 IJEE C[C@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317355033 UAOOKLDKHZTTPK-XBOKISCZSA-N 429.370 4.536 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3scc(Br)c3Cl)C2)OC1(C)C 2319683712 UMUQVFTZDKEOTM-INIZCTEOSA-N 434.592 4.862 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CC(C)C)ccc1OCc1ccc(Cl)cc1 2321888289 AFXGZVCHOCYUKT-UHFFFAOYSA-N 430.961 4.889 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)c1 2322781426 DXVIUCKZTDRETI-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE Cc1cc(C)c(S(=O)(=O)NN=Cc2ccc(OCCCc3ccccc3)cc2)c(C)c1 2323379503 HCKMECDASKHMIA-UHFFFAOYSA-N 436.577 4.936 30 10 IJEE CC(C)Oc1ccc(C=Nn2c(S)nnc2Cc2cccs2)cc1Br 2323556831 WIZAVLVDDGENAO-UHFFFAOYSA-N 437.388 4.651 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCCCOc4ccccc4)ccc3C2=O)cc1 2324234369 QATRETHXPBBQRM-UHFFFAOYSA-N 430.456 4.937 30 10 IJEE COCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2C)c(Br)cc1OC 2325735923 ZBFXVWQPPKDEEA-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(=O)O)cc1 2326538134 NZBNYJWEWBNGCX-UHFFFAOYSA-N 442.928 4.677 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)cc1 2328343652 UUNCYMVKVBMCMO-UHFFFAOYSA-N 433.537 4.677 30 10 IJEE CCCOc1ccc(C=Nn2c(SCCCO)nnc2-c2ccccc2Cl)cc1 2329609000 HILIWOFZEBGSQH-UHFFFAOYSA-N 430.961 4.744 30 10 IJEE CCCOc1ccc(C=NNC(=S)NCc2cccc(C(F)(F)F)c2)cc1OCC 2330451817 BCFQIOGAMNALLP-UHFFFAOYSA-N 439.503 4.891 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1OC 2331086402 AXEBAVMZBYQFNW-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)c1 2331180257 OAYYBYRLFZGWAT-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE CCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1c(OC)ccc2ccccc12 2331661777 PVDHJIAOGRFQOL-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)c(OC)c1 2331717080 NIUDZDDJWZVLBG-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)C=Cc1ccccc1 2332149761 JNIGDTNNTCFEFT-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC[C@](C)(CNC(=O)OC(C)(C)C)N(C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339544062 ANPJUOCJJFNMEF-XMMPIXPASA-N 445.413 4.856 30 10 IJEE C[C@H]1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339581224 ISCPPBUBYRMSBD-NRFANRHFSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339588290 GFOCDBFXJLLQQP-JLHYYAGUSA-N 443.397 4.785 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2cccc(OC)c2)SC1=S 8872461 LTSAMZBHZNLAHV-ZHZULCJRSA-N 427.547 4.540 30 10 IJEE Cc1cc(OCC(=O)NC(=S)Nc2ccc(C#N)cc2)c(C(C)C)cc1Br 12499944 HLSYLEGVZKSVAB-UHFFFAOYSA-N 446.370 4.645 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cccc(F)c2)c(C)n1 32973037 BLBHDISFEMDBPF-UHFFFAOYSA-N 427.911 4.792 30 10 IJEE COc1cc(/C=C/C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)ccc1OCC#N 33178139 DQONJEGIZFDWOE-KETLNSEPSA-N 426.516 4.948 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(O)c(OCC)c1 40097477 ZIDKMFUNBNAUGT-QFIPXVFZSA-N 435.476 4.916 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(Cc1ccccn1)CO2 41650697 GOPOAJURQHVZBB-MSXFZWOLSA-N 437.499 4.850 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)c2ccc(F)cc2)n[nH]1)c1ccc(Br)cc1 59020701 OGRBQNFGDWJQSU-JJFYIABZSA-N 448.321 4.517 30 10 IJEE C=CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1cccc([N+](=O)[O-])c1 63297906 NVOSXTHEBQZIDE-UHFFFAOYSA-N 427.810 4.894 30 10 IJEE CC(C)(C)[C@@H]1CCc2c(sc(N3C(=O)C[C@H](Sc4ccc(N)cc4)C3=O)c2C#N)C1 101727421 FEMLRBATASVYHN-YJYMSZOUSA-N 439.606 4.777 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(OC)c2)cc1 169929567 ZGEVMYZZPIGYKO-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2C)c1 169937008 HEHPWRLRGZBJEW-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)c1 169964455 IUKHXMOSFUQXLE-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccn1 169999229 YVLVUJIBNWDCIZ-QFIPXVFZSA-N 441.512 4.793 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)ccc1Cl 170173068 IKCDVZYUEWCESN-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1C(C)C 170260620 OVXUYIGNOFNBLD-QHCPKHFHSA-N 447.487 4.896 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2ccco2)cc1 170266411 FJWQHYNKSXVBQG-XMMPIXPASA-N 443.499 4.946 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)c(C)c1 170296632 KEXXZDFSEKTIJL-QFIPXVFZSA-N 435.451 4.557 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccco1 170297257 ZNQUOOFFDVQODE-IBGZPJMESA-N 449.850 4.601 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)c1 170301300 ANQRXJHNQOYHQI-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1C1CCCCC1 170317516 RLTBURNLXSPYTP-GOSISDBHSA-N 426.494 4.876 30 10 IJEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 254904825 GEXKOSWMYQTGGF-JOCHJYFZSA-N 429.545 4.890 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCCC 406288226 USHZTHXLQKNXOB-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE C=CCn1c(SCc2noc(Cc3ccccc3C)n2)nnc1-c1ccc(OC)cc1 434209077 ZWPVNBCDRJORDO-UHFFFAOYSA-N 433.537 4.714 30 10 IJEE CC1(C#N)CCN(C(=O)c2sccc2NC(=O)c2ccc(Br)cc2)CC1 461475510 ZONCNQHKJFWLLJ-UHFFFAOYSA-N 432.343 4.529 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2Cc3ccccc3O2)n1C[C@H]1CCCCO1 461865164 JIFCPLUKWPMMBS-DENIHFKCSA-N 436.581 4.778 30 10 IJEE C=CCOCCCC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469755805 IWKHIORXFNPVIY-MRXNPFEDSA-N 425.369 4.607 30 10 IJEE CN1CCC[C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)[C@H]1c1cccs1 487884675 SXIYWCWPMHTERI-KDOFPFPSSA-N 433.375 4.587 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 503619076 RQPFGMFFPQOPGY-OAQYLSRUSA-N 433.430 4.968 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 508997421 JWTPULXOQMRUTH-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnccn1 518404063 PVWURJKUHQZKTM-UHFFFAOYSA-N 447.370 4.599 30 10 IJEE COc1ccc([C@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490788 PNYKQXFDRRGQMX-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)cc1[N+](=O)[O-] 526804051 DGFTYGJUFSWNEJ-XKZIYDEJSA-N 425.514 4.630 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 569815790 GXTKNTDEQRDTQQ-CQSZACIVSA-N 440.912 4.699 30 10 IJEE C#CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586258441 IHSYVUJRHYHMFZ-UHFFFAOYSA-N 427.909 4.969 30 10 IJEE N#CC[C@@H](c1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 700360823 WFEUMBFZYYQKCA-MHECFPHRSA-N 426.472 4.676 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C#Cc1ccccc1 708543993 GILCQLMSZUFHQU-LJQANCHMSA-N 428.326 4.506 30 10 IJEE CCCCCCC[C@H](NN)c1ccc(I)c(Br)c1 721316139 ZNMLEZLPXGSKDX-AWEZNQCLSA-N 425.152 4.919 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(CC2CC2)C(=O)N[C@H]1c1cnc(-c2ccncc2)s1 753389252 VEPPZKKLPBJZNJ-QFIPXVFZSA-N 444.560 4.990 30 10 IJEE C#CCN(C(=O)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)C1CCCC1 757128172 WGSPIVHXGPFJGF-UHFFFAOYSA-N 433.552 4.572 30 10 IJEE C[C@H](CCSc1ccccc1)OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 769950838 LNZQFPXHWRBJMB-GFCCVEGCSA-N 442.484 4.884 30 10 IJEE C[C@@H](Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(C#N)cc1F 775558546 OKOCPFKCUUBEBG-MRXNPFEDSA-N 429.451 4.545 30 10 IJEE COc1cc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)cc(Br)c1O 777468714 WNIBBHKZMACQTA-ONNFQVAWSA-N 428.204 4.790 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1=S 799943131 QEYAALCUKKVKMZ-OAQYLSRUSA-N 448.640 4.945 30 10 IJEE COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1C#N 806507749 ULVIEEVOAQAGHM-UHFFFAOYSA-N 428.208 4.670 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H](C)C1CCCCC1 812175249 LQMQYAJMPZLHCI-IBGZPJMESA-N 425.577 4.686 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc3ccc(OC)cc3c2)nc1C 815536158 LMZLDYGELZQQAI-UHFFFAOYSA-N 437.550 4.599 30 10 IJEE Cc1ccc(NC(=O)CN2C(=O)C(=NNc3ccc(C)c(Cl)c3)c3ccccc32)cc1 1084249527 VFEPAALCSBUOKO-UHFFFAOYSA-N 432.911 4.758 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1O[C@@H](C)CC(C)C 1137539336 YFXOWCXMKUBBTN-PZJWPPBQSA-N 430.589 4.731 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 1169002837 CWFHPBGODTYQQR-UKRRQHHQSA-N 433.499 4.944 30 10 IJEE N#Cc1ccc(NCC(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(Cl)c2)nc1 1176227240 HEZKUDJDHKAEMI-UHFFFAOYSA-N 445.281 4.920 30 10 IJEE CC[C@H](C#N)Oc1cc(CNc2ncnc3cc(Br)sc23)ccc1OC 1185354338 FMGJZKSHBAEQOV-GFCCVEGCSA-N 433.331 4.755 30 10 IJEE CN(C[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1F)C(=O)OC(C)(C)C 1187639510 DSXBEOCATYAICI-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 1199840926 HHZHGFCJOYGTPY-JOCHJYFZSA-N 433.552 4.790 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(F)c(OC)c(F)c1)c1ccc(C(F)(F)F)cc1 1211148616 MPIZZBYQPUTGSK-KRWDZBQOSA-N 435.414 4.978 30 10 IJEE C=CCc1cc(CNC(=O)NCC2(Cc3cccc(Cl)c3)CC2)cc(OC)c1OC 1225349788 CEPLUHSDURVNRI-UHFFFAOYSA-N 428.960 4.908 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1229158096 MULXPOIEHRKRJN-ILBGXUMGSA-N 448.588 4.666 30 10 IJEE C#CC[C@H](NC(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1230567027 ZPAOVXBULNTEBE-QNWVGRARSA-N 441.934 4.593 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cc(OC)c(O)cc1Br)c1ccc(F)c(F)c1 1234564960 BDCZLDCUMRNZML-GOSISDBHSA-N 441.272 4.558 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(-c2cccc(C#N)c2)cc1 1268921457 DLEWZSCROBYKEQ-VGOFRKELSA-N 427.479 4.595 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1286337952 ZEFSIJXGFLWWLC-QFBILLFUSA-N 438.373 4.832 30 10 IJEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1286414596 ZWWVCGURBLEQFG-UHFFFAOYSA-N 447.583 4.598 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1csc(CC)n1 1286530971 GIFQYSNYHWZOCX-UHFFFAOYSA-N 448.390 4.518 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cccs1 1286584563 GSWUDSNDMCWWAF-GOSISDBHSA-N 441.988 4.841 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1286600215 KBAPSCMROMXPSA-JXFKEZNVSA-N 436.959 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1286665853 DOJPQLXWCKXWFM-LJQANCHMSA-N 441.595 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286668915 XFMHZWYDIUMDJQ-RDTXWAMCSA-N 448.398 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1 1286670767 NMOJZGYUEKNUJC-UHFFFAOYSA-N 446.555 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2Cc2cccs2)nnc1[C@@]1(OCC)CCOC1 1286676447 KUWCXOLMRNYQKI-NTKDMRAZSA-N 444.645 4.806 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286689342 MLRHDIZOGFBRPK-IBGZPJMESA-N 438.551 4.515 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286719794 RMFZVFYZOITOIP-GHTZIAJQSA-N 439.604 4.775 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1286741457 MXQYTYKSBWJKEH-UKILVPOCSA-N 435.616 4.992 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Br)c2)n1CCOCC 1286746679 CBTSSSGZFAZKMS-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)CCC 1286746984 CCGUERFEYFTWRS-OAQYLSRUSA-N 431.993 4.799 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1)C(C)C 1286751850 UGYPSYISKOKTRX-RBUKOAKNSA-N 427.559 4.879 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccs1 1286760412 LNZYMTOPJNRIQR-HDICACEKSA-N 443.617 4.531 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)C1CCCCC1 1286763388 YLQFYJIOJPTAHM-ZEQKJWHPSA-N 438.616 4.696 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cscc2C(F)(F)F)C1 1286812104 LXSJCKYCFKQQHR-KRWDZBQOSA-N 440.535 4.921 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1291767760 ZDFXZFOXXQLIIN-JOCHJYFZSA-N 430.548 4.661 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCC=CO1 1296453781 MGLVCSFQNIOKNO-DFBJGRDBSA-N 446.547 4.669 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1CCC(F)(F)CC1 1300289128 FOBOQAPZOUILLI-INIZCTEOSA-N 432.515 4.636 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc(C(C)(C)C)cs1 1300513600 ZSHPHCOSTFGPAQ-HXUWFJFHSA-N 431.609 4.695 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[C@](C)(CC)O1 1300817231 DQHFTOLYAYLQBY-KRFVIIPDSA-N 428.621 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccoc1C 1300890188 ULBYOTJGVOSMPJ-JPYJTQIMSA-N 442.510 4.666 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1ccco1 1300972275 JPTMVPPXQVCEAQ-NRFANRHFSA-N 449.555 4.674 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccc2F)CC1 1301067228 YJSSZFBQFRPCEG-VWLOTQADSA-N 442.579 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1301138675 CCONHRHHZIZYSB-KBXCAEBGSA-N 448.409 4.642 30 10 IJEE C=CC[C@@H](Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1301164905 CATSJWRLCIVJPY-RXVVDRJESA-N 447.549 4.663 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1301197307 RNENWGDXHCHERJ-DFQSSKMNSA-N 431.625 4.887 30 10 IJEE C=CCCCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(OC)c(Br)c1 1301198141 XQCYHHVMFAERKB-UHFFFAOYSA-N 431.338 4.550 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1Cc1ncccc1N(C)C 1301355137 QHVGKEBKCAIIMO-UHFFFAOYSA-N 436.579 4.708 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 1301472875 VVESCZYTLDPFQC-UHFFFAOYSA-N 432.037 4.865 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)OC 1303685469 DHNAIPBTKRRXIC-GOSISDBHSA-N 428.510 4.682 30 10 IJEE CCCN(CCC)CCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C#N)CC1 1307004266 AMPVWEDOGFSRIP-UHFFFAOYSA-N 434.588 4.943 30 10 IJEE C=CCS(=O)(=O)CCNc1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 1307080301 HITOQRRBBPYSES-OUKQBFOZSA-N 439.606 4.753 30 10 IJEE C=CCn1c(SCCOc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 1307261395 SHHHISAOETXJRN-UHFFFAOYSA-N 443.550 4.602 30 10 IJEE C[C@@]1(Cc2ccccc2F)CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1309619279 BHRLZXRZEAUQQL-IBGZPJMESA-N 426.435 4.502 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1310181514 HEPHMBXPVRNHPQ-OALUTQOASA-N 448.523 4.885 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1OC(F)(F)F 1310640958 DUNXXUPKIGSOLL-WBVHZDCISA-N 443.784 4.901 30 10 IJEE C=CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C1CC1 1311451452 ILBFQYUNPLUDOG-NRFANRHFSA-N 427.639 4.929 30 10 IJEE C=CCn1cc(CNC(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)nn1 1312062303 DMSOYPUZVJCAGX-UHFFFAOYSA-N 432.311 4.563 30 10 IJEE CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1312883247 BVRQOHNVQMSFSD-HSZRJFAPSA-N 431.515 4.739 30 10 IJEE C=CCN(C(=O)c1ccc(I)cn1)c1nc(-c2ccccc2)cs1 1350509904 AFHSBGQHDYBYCT-UHFFFAOYSA-N 447.301 4.643 30 10 IJEE CCN(CC)[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 1352615251 BTGBLVXEZGEWLK-SANMLTNESA-N 427.548 4.950 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(N2CCCCC2=O)cc1 1356104329 MJTVSVGZOVVGAV-UHFFFAOYSA-N 432.442 4.717 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1358972800 TZPNADDPLDNCKA-HSZRJFAPSA-N 445.655 4.683 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccsc1 1359003771 XDDHVSNXDMQBBG-QHCPKHFHSA-N 440.638 4.704 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1359100584 DGPMXFGLNWBTHP-VMBXEPDQSA-N 444.645 4.551 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](F)COC 1359109129 QFYVGJXMZMBHTH-CQSZACIVSA-N 445.764 4.748 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc2c(c1)OCO2 1359118948 MOISYWQKVJAOMY-UHFFFAOYSA-N 447.358 4.710 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1CC 1359129301 YFDAVBPBELRGMA-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359131916 ITOWIHPSRUUWDW-NRFANRHFSA-N 430.980 4.760 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CCC[C@H]2C)CC1 1359161677 NBVOSOHNDNQDSN-GOSISDBHSA-N 444.421 4.657 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1359163856 VPMUIWPGIOISQY-UHFFFAOYSA-N 444.583 4.838 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OC(F)(F)F)CC1 1359180266 YITXCXFWPJHIBZ-UHFFFAOYSA-N 443.473 4.613 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc(C)cs2)nnc1[C@@]1(OC(C)C)CCOC1 1359191849 NQNFTGWNKTVUCS-HSZRJFAPSA-N 432.634 4.927 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@H](c1ccsc1)N(C)C 1359256037 SLZKCBSGHMQVJR-JOCHJYFZSA-N 432.597 4.584 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1359258135 HHMNLDGAHGZLNQ-OAQYLSRUSA-N 439.604 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1359262271 NNKNNWIOPKKHNA-GOSISDBHSA-N 432.597 4.554 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CC1CCOCC1 1359263573 FMHISRCEQBEQBU-UHFFFAOYSA-N 426.561 4.689 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)CCCN2C 1359274712 XLSPLVDCQPZXOV-ISKFKSNPSA-N 449.643 4.806 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOc1ccc(OC)cc1 1359284628 BVWTVVGCZSDYPJ-KRWDZBQOSA-N 438.597 4.841 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@@H](CN3CCCC[C@@H]3C)C2)cc1 1359308430 OCTNEWFIRXLVCS-GMAHTHKFSA-N 437.632 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C)SC)C1 1359313308 JWVVDBUMQDNLQH-DFQSSKMNSA-N 430.618 4.568 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@@H](C)C1CCC1 1359342856 GISWUWHJALUBSW-LAUBAEHRSA-N 428.602 4.725 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N(CCc1ccccc1)C1CCCC1 1435021774 ANQQXFFOBJSOFO-UHFFFAOYSA-N 427.342 4.713 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1ccccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1435175928 OBCGZBZHRIVICS-KDOFPFPSSA-N 448.744 4.855 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1C#N 1436351324 HMCFLCISVRHQAY-UHFFFAOYSA-N 448.544 4.962 30 10 IJEE CCOc1cc(C(=O)OC)ccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1439353785 BQUWQSCHKORKTM-UHFFFAOYSA-N 446.507 4.518 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4cccc(C)c4)c3CCC)n[nH]2)c1C 1448735357 PBJYZEQZUOPKLA-UHFFFAOYSA-N 443.555 4.775 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)c(OC)c(OC)c2)nnc1-c1ccco1 1461226676 YISQHIAAKHHOQX-UHFFFAOYSA-N 448.932 4.516 30 10 IJEE N#Cc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)ccc1C(F)(F)F 1463550501 DAXXWOKHSLXGFT-SFHLNBCPSA-N 434.483 4.924 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc2c(nc1O)CCCC2 1467008742 DHYYLBIFVNXALI-UHFFFAOYSA-N 434.309 4.788 30 10 IJEE C=CCN(C(=O)CN(C)C[C@H]1CCCO1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1473358286 SYMSKNNDZBVKDP-OAHLLOKOSA-N 440.396 4.747 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)c1 1477923800 FZZACYPTLUUNOQ-HXUWFJFHSA-N 438.528 4.714 30 10 IJEE CSc1cc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)ccn1 1505199621 AUZYZFNAVNDFEA-QFIPXVFZSA-N 438.988 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCOC[C@@H]1C 1507519754 KBJDCXRQAAIIKT-JYJNAYRXSA-N 428.989 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(CC)(CC)SC 1507548972 XNENYVHQBCRJKJ-ROUUACIJSA-N 449.665 4.730 30 10 IJEE C#CCCCn1c(N(CC)C2CCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507599850 UPGLDKMIVGJKMD-KDURUIRLSA-N 429.609 4.621 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1507748323 MIFUBTRZNRSDRC-QGZVFWFLSA-N 445.430 4.867 30 10 IJEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(CC)Cc1cccs1 1507756636 XJHANSNVOANVFV-UHFFFAOYSA-N 435.622 4.805 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(CC#N)CC1 1507805301 JGBOPNZUGBCOFD-ILBGXUMGSA-N 433.600 4.565 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@@H](SCC)C1 1507839788 VKNSSGLENLPTPR-OAQYLSRUSA-N 430.618 4.658 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H]2C)CC1 1507894732 KJKZIFBKGUYBKI-PXNSSMCTSA-N 442.007 4.700 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H](OCC)C(C)C)CC1 1507896578 IGSXVQUKWXQFTC-NRFANRHFSA-N 427.549 4.707 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC1(N(C)C)CCCCC1 1507997712 XCUGMORLXDVRPG-UHFFFAOYSA-N 434.632 4.904 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[C@H]21)C(C)C 1508011393 RDLZJCIRTURPTK-NJDAHSKKSA-N 441.023 4.681 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCOC2(CCCC2)C1)C(C)C 1508013838 RJOLSPASUWUKJI-HSZRJFAPSA-N 441.664 4.784 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCSCC(F)(F)F 1508013918 STNVUZAFYOBZLC-UHFFFAOYSA-N 433.503 4.967 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1508160786 WJJRHSZPWRBWGF-NYLDSWQDSA-N 448.677 4.655 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCCC2(C)C)cc1 1511031218 FURQFXRTSDXSBU-MBSDFSHPSA-N 427.618 4.558 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)c1cccs1 1514969997 AYKXVXJQZJBSGW-NQIIRXRSSA-N 434.613 4.950 30 10 IJEE C#Cc1ccccc1CC(=O)NCc1ccc(NC(=O)CCCOc2ccccc2C)cc1 1515764882 DEZOIOHIKLBEDJ-UHFFFAOYSA-N 440.543 4.633 30 10 IJEE COCCN(CCC#N)c1nnc(CC2CCCC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1519167851 HAJNEPPUMZXDTA-OALUTQOASA-N 441.542 4.746 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)cc(OC)c1OC 1519537580 WHYIPNRMEFDQEP-VWLOTQADSA-N 447.531 4.969 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1523233035 PZTHVHDZOQJNRM-LAUBAEHRSA-N 432.898 4.904 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1c(F)cccc1F)[C@@H]1CCOc2ccc(Br)cc21 1529626755 FPQYPYVVHTWFGC-SCLBCKFNSA-N 434.280 4.816 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)C1 1533762864 KCPOWUKJBOGMSE-IBGZPJMESA-N 448.592 4.768 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCSC[C@@H]2c2ccccc2OC)c(OC)c1 1537210579 BOWPCPBYRIQNBK-HXUWFJFHSA-N 427.566 4.518 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 1537443761 FAHRBRAPLPRDTM-UHFFFAOYSA-N 440.591 4.789 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCC(C(F)(F)F)CC1 1539359574 KQKOCZRLZNZWGN-UHFFFAOYSA-N 448.489 4.545 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC=CCC1 1539391579 FLPVZFLULGZSMU-IBGZPJMESA-N 435.572 4.769 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCCCC[C@H]21 1539519549 KNSPWXPHYNSBSJ-DYESRHJHSA-N 430.568 4.673 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(C)C1 1539607630 JQYQXPYRRHMYBQ-UHFFFAOYSA-N 431.378 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC=CCC1 1539614524 AGGZYUUTQZDEDU-LQWHRVPQSA-N 428.964 4.819 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1CCOCC1 1539654689 CYJZUMKESXNVIG-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)CCO[C@H]1C1CC1 1539659140 KSMXHXHJJZWOFK-WIOPSUGQSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)CC)CC1 1539897475 FIZIUYKUMOKZRM-VWLOTQADSA-N 426.605 4.718 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1539907303 YUULGKLNUTZJKU-LJQANCHMSA-N 447.505 4.967 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1539915615 CGFCGIHXUDPQNJ-IBGZPJMESA-N 426.561 4.530 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccs1)N1CCCC1 1540081165 UUQUKSGWIQRLED-HXUWFJFHSA-N 425.577 4.529 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1scnc1C)C1CC1 1540094213 DOXXUXAKJWTYBT-INIZCTEOSA-N 427.549 4.720 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)c(C)o1 1542137736 FBHGOQOEQNKEOA-GJZUVCINSA-N 447.583 4.807 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCC(F)(F)C2)c1 1542679734 HHEPVNQAFPHYCX-GCJKJVERSA-N 429.515 4.731 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cccc(OC(C)(C)C)c2)nc1C 1542967756 NHOSOYDKSYIHEO-UHFFFAOYSA-N 429.571 4.614 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC#N)CC1CC1)C1CC1 1552749823 IDSOYGFIJAUYRZ-FQEVSTJZSA-N 447.414 4.722 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 1556404918 ZUBVYXADNWJISA-QGZVFWFLSA-N 449.523 4.566 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](c2ccccc2)[C@@H](O)C(C)C)s1 1557654610 LMYZKHAKGKFSRI-OALUTQOASA-N 425.019 4.713 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CN2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 1559519551 HPPMKQOKOSLIAI-UHFFFAOYSA-N 443.551 4.776 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)cc2n1 1563300499 OENFNWGCMFIDIJ-INIZCTEOSA-N 430.339 4.930 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)cc1 1567204244 INJPACJECAVHIM-HSZRJFAPSA-N 426.582 4.642 30 10 IJEE C=CCCSCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 1583907966 NFUYNDGLQMGWCR-UHFFFAOYSA-N 446.638 4.760 30 10 IJEE C#C[C@H](NC(=O)[C@H]1[C@H]2c3cccc(Br)c3C[C@H]21)c1ccc(Br)cc1 1584709352 ZYNLJCRLRXKECK-XGXHKWSGSA-N 445.154 4.588 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(CC(C)(C)C)c2ccccn2)nnc1-c1ccco1 1584748222 QQCSVROGQWLUEK-UHFFFAOYSA-N 425.558 4.681 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(C3CC3)c(C)o2)nnc1-c1ccc(Cl)cc1 1585265693 MFMCLYFMXCHZRY-UHFFFAOYSA-N 429.933 4.689 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@]23CCCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1 1587965204 XZXDQYIVFFSBPP-YADARESESA-N 442.560 4.502 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCCS1 1588180537 HKNHIANEGAWCLI-JPYJTQIMSA-N 443.016 4.820 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@H](F)c1ccc(Br)cc1 1588433831 UFSLNBKXJNMUET-IBGZPJMESA-N 433.369 4.944 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCCn1nc(C)cc1C 1588550076 HNLBYSNMAMESGQ-UHFFFAOYSA-N 434.563 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CC12CCOCC2 1589615328 PDTXAHMRYNWTPN-QGZVFWFLSA-N 430.980 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1589676534 YXQJRLCOEVPIJL-SFHVURJKSA-N 433.622 4.636 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CSCCS2)CC1 1594128204 NSTDVWJKTKHREV-SFHVURJKSA-N 437.034 4.516 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CC=CCC1)c1ccccc1 1594534910 OVBNQIAHLJMITK-FYYLOGMGSA-N 433.600 4.667 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1594566340 GAHAUCFZNVDXJS-UHFFFAOYSA-N 437.579 4.959 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1594692672 CCUPXKWRXPCKDP-MNZLEMJZSA-N 431.378 4.917 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCO[C@@H](C)C1 1595845675 YSFFFIPETIKJDJ-DLBZAZTESA-N 437.009 4.606 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCOC(C)(C)[C@H]1C 1595904994 AAQLQEMUJCVPLX-QGZVFWFLSA-N 448.658 4.502 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCC=CO1 1606951526 GMNGVJKVYQOGOR-NRFANRHFSA-N 445.571 4.794 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c1 1611016307 MZQWUTCUPWYIEB-HXUWFJFHSA-N 437.483 4.630 30 10 IJEE C=CCC(CC=C)C(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1611109728 FDQRKWLSMFPXBL-LEWJYISDSA-N 440.584 4.911 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1CC(=C)C)[C@H]1CCCc2ccccc21 1617566044 FONMEAVAUHZIRB-NRFANRHFSA-N 446.576 4.746 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1618312995 DHAAGPYHYFZCFP-NQIIRXRSSA-N 440.334 4.545 30 10 IJEE N#Cc1cccc(COc2cccc(CN[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)c2)c1 1621011971 AFWLMJUNLFPAIH-KAYWLYCHSA-N 439.559 4.968 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)CC1 1625395460 ZNGOMYUTBGDUOB-GKYRZQBGSA-N 444.575 4.796 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 1629600383 CVWBINPQJXTUJQ-HNNXBMFYSA-N 439.350 4.742 30 10 IJEE C#C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1629619874 NXLOIFLNCKRNJO-NRFANRHFSA-N 434.342 4.771 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Br)c(C)c1F 1639859436 NOXZPKDPXXMXDX-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1OCC(F)F 1641863854 YNRFMOMQGONYRU-ZDUSSCGKSA-N 439.286 4.958 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCCc2ccccc2Cl)CC1 1653176357 CYFUJNNIMLVPJD-NRFANRHFSA-N 432.793 4.918 30 10 IJEE C=CCOc1ccc(CNC[C@@H](CO)Cc2cccc(Br)c2C)cc1Cl 1657966717 QJOBQEWTJMTKRP-KRWDZBQOSA-N 438.793 4.917 30 10 IJEE C#CCN1CCC[C@@H](NCc2ccc(OCc3c(F)cccc3Cl)c(OCC)c2)C1 1657988908 RZUGELQOICKVJY-LJQANCHMSA-N 430.951 4.644 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(Br)cc1C 1660339753 GSPDUGIFUPJAGN-UHFFFAOYSA-N 434.808 4.990 30 10 IJEE COc1ccc(-c2ccc(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)cc2)cc1 1662128229 IAQDSELGGKUECD-UHFFFAOYSA-N 446.450 4.731 30 10 IJEE CCc1ccc(CN(CC(C)C)S(=O)(=O)c2cc(Br)ccc2C#N)cc1 1664622417 FPNITTXFDJYSAE-UHFFFAOYSA-N 435.387 4.730 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCc4c3ccc(F)c4Br)cc2n1 1664854179 ODRBDVVGLLCELD-KRWDZBQOSA-N 429.293 4.933 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCN(C)Cc1ccccc1 1666608305 YUKGWDMZIFYYNG-UHFFFAOYSA-N 448.380 4.808 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1669191785 MQJAJZSRRCHMIW-VSKRKVRLSA-N 442.604 4.768 30 10 IJEE CCCc1c(NC(=O)N2CCN(c3ccccc3Cl)CC2)cnn1-c1cccc(C#N)c1 1670351732 AJHOHWJXKXMPHE-UHFFFAOYSA-N 448.958 4.704 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(Br)cc1OC)c1ccc(F)c(F)c1 1671851982 NXHJTKZJQYLSRN-GOSISDBHSA-N 425.273 4.853 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 1672210374 VFRXFZLQZZPMEZ-KRWDZBQOSA-N 433.302 4.826 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 1672952124 QETGYGMCGZAFMU-HXUWFJFHSA-N 431.305 4.647 30 10 IJEE CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NCc1cccs1 1673789634 GZIPUTDOHOHUQK-FQEVSTJZSA-N 434.521 4.629 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2cccc(F)c2F)CC1)c1ccc(Br)cc1 1674031355 SNSAKPWGPVUSFW-IBGZPJMESA-N 433.296 4.991 30 10 IJEE Cc1ccnc(Oc2cc(NC(=O)N3CCN(c4ccsc4C#N)CC3)ccc2C)c1 1674944965 GTHSNVJMQLBLHW-UHFFFAOYSA-N 433.537 4.778 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1 1682003680 UBFPNFCFDUXEKD-JOCHJYFZSA-N 440.385 4.656 30 10 IJEE C=CCCCNC(=O)N[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1682055065 PTNJDYGYGQPELZ-LJQANCHMSA-N 429.561 4.545 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)CCCC1 1683823419 LSSILWKQZCNOEU-IBGZPJMESA-N 430.568 4.895 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 1684083614 XASFGFIJFIEZJQ-NRFANRHFSA-N 430.379 4.822 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 1685798839 HTDALXABGJQAMK-NRFANRHFSA-N 445.485 4.880 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@]1(C)CCCS1 1689841772 NXMGRUUJEMRASR-KOSHJBKYSA-N 442.629 4.876 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1csc(-c2ccccc2)n1 1689857683 ANIYMERVXWHVAD-QGZVFWFLSA-N 433.606 4.755 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1689904102 KMJYMWXOHQOHDZ-IBGZPJMESA-N 428.552 4.584 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1690090120 WSXUOROEMHSNBC-SFTDATJTSA-N 437.607 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccnc(OCc2ccccc2)c1 1690190027 JMVRVVMTZHPIOE-AREMUKBSSA-N 429.568 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC(C)(C)COCC 1690200228 PCIBENQIKYWAQP-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)CN1CCCC1 1690259339 FVPIMUKFNYKQBU-GOSISDBHSA-N 432.012 4.741 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690467303 SCAXDXCLJICCNV-UHFFFAOYSA-N 431.009 4.978 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCc1c(C)noc1C)C1CC1 1690537590 QDAVILGVQIGRTQ-KRWDZBQOSA-N 425.508 4.560 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1690538443 IPJJRGWMXWRNKR-JOCHJYFZSA-N 446.523 4.671 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@@H](c1ccco1)N1CCCCC1 1690571769 IKZYFWCZVIGVGF-QFIPXVFZSA-N 437.563 4.992 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1=CCCCC1 1690611789 ZKFLSQGBTMKHJH-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)C1CCCCC1 1705478033 VNPBQISADAYCPA-RHGYRFJNSA-N 445.007 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)N(C)C 1705484954 ZTFZZVXGXZVDOT-KKSFZXQISA-N 431.987 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)COC 1705712412 SQKRCEJXXUANJN-CQSZACIVSA-N 425.346 4.532 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)CCc1ccc(Br)cc1 1705734890 DPTROHRIGPRZEP-UHFFFAOYSA-N 447.421 4.970 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1705759639 SSSSNFLURPGJRP-QAPCUYQASA-N 445.753 4.769 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(F)cn2)CC1 1705764664 IGTUHJPJZJBFIS-UHFFFAOYSA-N 434.338 4.508 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1705768123 MFIXURPDQOICDI-OALUTQOASA-N 438.469 4.950 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC[C@H](OC)C(F)(F)F)CC1 1705768209 YJJMRECBZMMPJD-IBGZPJMESA-N 447.461 4.724 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(CCOC)CCC2)CC1 1705772371 OETQLWCUNGRMSZ-UHFFFAOYSA-N 430.980 4.874 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2ccnc2C)CC1 1705785064 ULXQGZPROYZCPD-UHFFFAOYSA-N 448.615 4.862 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1c(C)nn(C)c1C 1705813548 LDCIVZZYXIONIQ-UHFFFAOYSA-N 428.968 4.560 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC2(CCCC2)C1 1705827512 HWIVJUCQPBJGTG-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCN1CCCCCC1 1705862309 FYXJBVYGYOEXKA-UHFFFAOYSA-N 434.563 4.548 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)C1CCCCC1 1705864879 BJCODFVLEGRILG-XMMPIXPASA-N 437.613 4.926 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1CC2(CCOCC2)C1 1705869997 LMKMWQOJVZPMLH-IBGZPJMESA-N 440.563 4.942 30 10 IJEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705876706 HNKFFFIRKJFVPJ-LJQANCHMSA-N 433.625 4.871 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1705893822 HKJDFVOJAVVLEY-YTFSRNRJSA-N 433.600 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722278131 PBNCMMKYWWUWDJ-ILZDJORESA-N 446.542 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(OC2CCCC2)c1 1722280376 WUTPJLIXWUWTQD-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)c1ccccn1 1722281894 ZRZSVRIXGLZXPY-PZJWPPBQSA-N 431.584 4.866 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1722320070 RZKSEIPAEISLHC-LJQANCHMSA-N 442.007 4.710 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C)C1 1722321109 WDFGDIDETAODTJ-QGZVFWFLSA-N 431.378 4.659 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccccc1)C1CC1 1722404850 GARAGTMLKFXFOH-IBGZPJMESA-N 438.373 4.689 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(CCC(C)C)CC1 1722470685 WBOUBIAHHZZQNT-HHHXNRCGSA-N 444.627 4.567 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1722612890 MSYZGZASFYRRMT-NRFANRHFSA-N 436.991 4.670 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1cc(C(F)(F)F)ccn1 1722634730 QMXNDYDNIVIFEA-HNNXBMFYSA-N 449.452 4.836 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCO[C@H]1CCOC1)C1CC1 1722646074 HIDZDKPOGBZSMU-KRWDZBQOSA-N 437.371 4.602 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1722742583 YKMSDFJCFFKVBC-LPHOPBHVSA-N 446.667 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1ccc(-c2ccsc2)nc1 1740550291 HQECQVXGDOTJGR-LJQANCHMSA-N 427.577 4.807 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(C(C)C)CC1 1740632442 JNLSANKDNMQDLH-UHFFFAOYSA-N 429.593 4.886 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](SC)C(C)(C)C 1740733654 IVCQPTTWIIBUFC-GBXCKJPGSA-N 426.630 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCCN1CCC[C@@H](C)C1 1740734240 WCJIVWNVLBHVHT-YIXXDRMTSA-N 449.643 4.670 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccco1)c1ccccc1 1740854529 PVXJRYBBKZEDDH-NHCUHLMSSA-N 433.556 4.711 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CC(C)(C)C1)C1CC1 1740907892 CBQXYLAFYKLDKY-UHFFFAOYSA-N 426.561 4.562 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)s1 1740923406 LMQDMPILLUMKTB-OAHLLOKOSA-N 435.018 4.994 30 10 IJEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1747862698 HOSSQYOZADASRU-QXAKKESOSA-N 433.478 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nccs1 1748640734 XEMHWMMFNXUEOF-DLBZAZTESA-N 444.004 4.845 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1748736802 RHOQJZYWSZWLFH-FPOVZHCZSA-N 442.007 4.550 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)Oc1cccc(C)c1 1748775358 JWEVKYFQRNKWOC-MOPGFXCFSA-N 434.609 4.977 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1csc(CC)n1 1748935572 XXUCRYJXEUJTRJ-UHFFFAOYSA-N 437.613 4.816 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[C@H]1CC 1749051789 NGNIXGFMRBCXFX-IPVFLDMMSA-N 433.600 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCN1C1CC1 1749147132 AKJYJKNRRUPJBZ-FQEVSTJZSA-N 445.558 4.966 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCC[C@H]2C)CC1 1749334594 FNMIHOQIDYMZEV-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccnc(SC)c1 1749499226 CNZCHCUZUFXNGX-UHFFFAOYSA-N 437.613 4.942 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1749530189 UTULKLVVVJCCGC-ATIYNZHBSA-N 433.600 4.845 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCC(=O)Nc1cccc(Cl)c1C 1749574372 SSMVTUVERODCET-HXUWFJFHSA-N 443.979 4.689 30 10 IJEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCC1CCOCC1 1750629659 ACBSCTBSZJZBCJ-UHFFFAOYSA-N 437.588 4.528 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cc(C(CC)CC)no1 1760106247 AXVSZPXJZXCMTC-QGZVFWFLSA-N 428.540 4.891 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1CC 1760195992 CTZZTCJMPVTXTM-IBGZPJMESA-N 428.605 4.815 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cn(CCCC)nc1C 1760227452 FNSVJPHHAXYPGX-UHFFFAOYSA-N 430.600 4.561 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)cc1C(F)(F)F 1760294458 XJPDDWLTQCKZTH-WIYYLYMNSA-N 436.453 4.718 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1760308461 GAHKTXYTPVHHGD-JKSUJKDBSA-N 425.415 4.559 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2nc(C(F)(F)F)cs2)nnc1C(C)(C)C 1760327669 KRGHEOQUVXKSOA-CZUORRHYSA-N 443.539 4.669 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)COc2ccccc2OC)CC1 1760390098 BPMOHVXPJXMQIV-IBGZPJMESA-N 438.597 4.811 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@H]2CCCCO2)CC1 1760396997 MLBIOIVKCXVYKG-UYAOXDASSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760413705 QUQDRRRDVGSMAD-IBGZPJMESA-N 449.565 4.852 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(C)Cc2ccccc2C1 1760420775 VWTSTSQSIBMRCQ-UHFFFAOYSA-N 435.616 4.502 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(CN2CCCCCC2)CC1 1760441527 LVVXTMYELKXMQD-UHFFFAOYSA-N 442.677 4.692 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@H](OC)C(F)(F)F 1760455946 CUBCNAIXQPIODY-AEFFLSMTSA-N 426.483 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1nnc(C(C)(C)C)s1 1760486869 CFCSGRZESVULJL-UHFFFAOYSA-N 430.647 4.928 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1760509035 FVPBLKMXZVONTK-NRFANRHFSA-N 446.599 4.592 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1760562050 VUGCHUUFSOUDMC-IBGZPJMESA-N 433.021 4.771 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl 1761348689 GZKSMMIKJIMOLO-MRXNPFEDSA-N 448.914 4.735 30 10 IJEE CCC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1765552710 GGJOMNVUDVLUPW-PGRDOPGGSA-N 425.577 4.526 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 1772790494 PGVXCCJQZOZFDR-IBGZPJMESA-N 425.412 4.553 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1c(F)cccc1Sc1ccc(Cl)cc1 1772792127 HDMDXDBGCLLMRL-UHFFFAOYSA-N 427.840 4.998 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccccc4OC)nc3c2)nc1C 1859737341 YYJGWKMIUQNROF-UHFFFAOYSA-N 449.488 4.863 30 10 IJEE C[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)Nc1ccc(F)cc1 1860827630 WRGAXVQFYHGTDU-NSHDSACASA-N 428.876 4.633 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862411855 QHNGSFUIBPBCHX-HXUWFJFHSA-N 441.455 4.553 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862431951 SCDKVNQJQXLYKA-UWJYYQICSA-N 425.912 4.660 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Br)cc1 1862540040 DXPKHGMKNVCLFZ-IBGZPJMESA-N 426.310 4.776 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862612012 ZBJGKRVAELNGDX-IBGZPJMESA-N 446.286 4.529 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1O 1862677212 BFGXIZFUXCNHDU-GKIWIXTESA-N 439.483 4.697 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(Br)c1 1862707787 DRJBYYMQIVRXPQ-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862745008 ZESIFEUNWNGERV-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)c(C)c2)C1=O 1863092320 DYBYKIZIUVUBFY-UHFFFAOYSA-N 441.462 4.719 30 10 IJEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3cccc4c3CCCC4)C2=O)c1 1863118433 IBNABUOXLDUBKL-UHFFFAOYSA-N 425.513 4.895 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCc3ccccc3)C2=O)cc1 1863173377 JSIZSVIVFFEAAW-UHFFFAOYSA-N 427.891 4.646 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(CC)c([N+](=O)[O-])c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863289033 RBDCMENSSDFYGT-UHFFFAOYSA-N 446.290 4.842 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868286772 URXAUNHSWAOQDS-OAQYLSRUSA-N 441.535 4.823 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1 1868713717 SOHMBNGBBZWKOT-JOCHJYFZSA-N 426.507 4.582 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1 1868867674 GJGUOLIIYWBIHZ-DNQXCXABSA-N 436.983 4.762 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3cc4c(cc3[C@H]2c2ccccc2)OCO4)nc(C)n1 1869292232 SJDKWJJJYTWCNY-HHHXNRCGSA-N 440.547 4.844 30 10 IJEE Cc1ccc(C)c(S(=O)(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c1 1870098462 FXIZFAPJHQOZMF-UHFFFAOYSA-N 437.569 4.803 30 10 IJEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870366995 NCRWGKSIWNPPRD-UHFFFAOYSA-N 449.636 4.662 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(Cl)c(Cl)c1 1870866638 SKFQEIXFLDQKRC-UHFFFAOYSA-N 439.339 4.674 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CC 1872192456 DSTUJZMRLQOMSH-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872425257 QJFQHTIAYBJYNK-SFHVURJKSA-N 434.989 4.778 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N(C[C@@H]2CCCN3CCCC[C@H]23)C(C)C)CC1=O 1872991385 CMXBZTPWXMLLAN-RBZQAINGSA-N 433.681 4.697 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874307305 PLKAKNDXCWIXNG-ZXVVBBHZSA-N 443.576 4.684 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccs2)c1 1874421758 CMCSTDCZLKVBRI-CIAFOILYSA-N 439.591 4.990 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2F)cc1 1874489419 QRCSGKAOXMYIFG-BRJLIKDPSA-N 443.523 4.676 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2cccc(C)c2C)cc1OCC 1874563092 JSESHEFUVIJLJJ-ZVHZXABRSA-N 440.569 4.832 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)c1 1874605059 FMIOVGOSSPZMAL-VQHVLOKHSA-N 425.868 4.533 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1874607837 ISILOWDUOYMJFA-YCRREMRBSA-N 448.269 4.585 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCC(=O)OCCC 1874612834 OFYUTROGDWJUSB-JXMROGBWSA-N 430.447 4.930 30 10 IJEE CCCNC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1OCC 1874614660 MMDABXDOSGOPSQ-ZHACJKMWSA-N 446.341 4.649 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Br 1874625187 QDPNLZNGGHTPBW-VZUCSPMQSA-N 434.305 4.732 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1875151208 ZOPOVPGRWAKLIX-QPJJXVBHSA-N 435.363 4.578 30 10 IJEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 1875173408 GBTTZBJUMUOLCH-CMDGGOBGSA-N 448.899 4.976 30 10 IJEE C#CCCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 1947431673 ZDAAOWGAIZTQEK-DEOSSOPVSA-N 429.649 4.965 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 1990171149 JMKOFOOZEOFPJT-LEWJYISDSA-N 434.646 4.869 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2041649426 CHHPFQHHWGFCLU-QHCPKHFHSA-N 449.592 4.618 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cccc(Br)c2Cl)C1 2062975793 VZUUVXZSUUZEPL-UHFFFAOYSA-N 429.742 4.902 30 10 IJEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]21 2065610696 ZXLGEKYXAOJIKH-XLNZFTOWSA-N 449.592 4.617 30 10 IJEE CC[C@H](c1ccc(C)c(F)c1F)n1nc(C(F)F)c(C#N)c1I 2079959228 ZHNLBOUHSFQMOZ-SNVBAGLBSA-N 437.178 4.883 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)C1(C)C 2118150046 BDZGCGCIEPPYHX-LBPRGKRZSA-N 426.330 4.589 30 10 IJEE CCCCCC#CC[C@H](NN)c1cc(Br)ccc1I 2139046583 OMWSEPNFRLGJCN-HNNXBMFYSA-N 435.147 4.532 30 10 IJEE N#C[C@@]1(Nc2cccc(Br)c2)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156280769 UJTYEMUUHCVDGR-FGZHOGPDSA-N 426.358 4.578 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1Br 2180959281 ZUDJLXUQDOPYPK-ZDUSSCGKSA-N 449.267 4.713 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C)(C(=O)Nc2ccc(Br)cc2C#N)CC1(C)C 2199606112 MIQCDLJCCRVKQC-FQEVSTJZSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCC(=O)Nc2cc(Br)ccc2C#N)C1 2203259487 RGJZEVFASVMIDH-CZUORRHYSA-N 436.350 4.733 30 10 IJEE C=C([C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221688581 NMDQDZBPBSTXDA-IRXDYDNUSA-N 428.443 4.679 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(N)C#Cc1ccccc1Br 2235726956 FMAHRWNLAKRQRR-VGOFRKELSA-N 433.390 4.603 30 10 IJEE CN[C@@H](CC#CC1CCCC1)c1ccc(Br)cc1I 2274119826 GBQVMHCGRNNBOV-INIZCTEOSA-N 432.143 4.898 30 10 IJEE C=CCCC1(C(=O)N(C)Cc2ccccc2Br)CN(C(=O)OC(C)(C)C)C1 2281014939 QJBMDUWLIYKBMZ-UHFFFAOYSA-N 437.378 4.611 30 10 IJEE Cc1csc(C(=O)NCc2cc(Cl)sc2Cl)c1B1OC(C)(C)C(C)(C)O1 2282058382 SYZJYXDTCRYJFW-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C=CC[C@]1(COc2oc(C(=O)O)cc2Br)CCCCN1C(=O)OC(C)(C)C 2287854483 KURLJEWUQNJKDU-LJQANCHMSA-N 444.322 4.855 30 10 IJEE CC1(C)OB(c2cc(OCc3cc(Br)ccc3Cl)ccc2N)OC1(C)C 2295167875 SLLPZZZVZVZRCM-UHFFFAOYSA-N 438.558 4.563 30 10 IJEE CC1(C)CC[C@](O)(C#Cc2ccc(Br)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 2296289228 PJKLFJMCNBSSHG-VGOFRKELSA-N 436.390 4.883 30 10 IJEE CCC[C@]1([C@@H](N)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296305059 OFQHOLDBWCHFJJ-UGKGYDQZSA-N 435.406 4.945 30 10 IJEE COc1ccc2c(c1)C(=C1SC(=Nc3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 2296419136 XBPBUYZLGJSDDQ-UHFFFAOYSA-N 427.485 4.826 30 10 IJEE Cc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccc(F)cc2)S1(=O)=O 2297378514 YLITYTRUHYSRDV-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE OCCN=Cc1c(CSc2ccc(Cl)cc2)nn(-c2nc3ccccc3s2)c1O 2297741526 KGPASKXXUYTWKE-UHFFFAOYSA-N 444.969 4.545 30 10 IJEE CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317240876 ACPZKRAXZCXXIE-OAQYLSRUSA-N 443.828 4.603 30 10 IJEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1ccccc1C 2320971779 QHIFIAUYLTXAJD-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)n2)c1 2321103547 ITUKQYCUUOYEEH-UHFFFAOYSA-N 426.476 4.645 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(Cc1ccncc1)CO2 2322312147 FYLKELBNJFTLRI-UHFFFAOYSA-N 437.499 4.850 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2322687415 QCPIWCPQXCVTFF-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)c1OC 2322884594 DPFGLEMPLRXDEW-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323038889 JMIGPUYDWIREOA-UHFFFAOYSA-N 442.638 4.795 30 10 IJEE CCCCCOc1ccc(C=NNc2nc(O)cc(-c3ccc(OC)cc3)n2)cc1OC 2323260262 NJZPDHKQNRDLRE-UHFFFAOYSA-N 436.512 4.881 30 10 IJEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccncc2)C3=O)cc1OC 2323692090 CAUVEPJMLKLWJP-UHFFFAOYSA-N 443.455 4.724 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1 2325744686 CDBNJWOWRBZSPY-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE CCCCS(=O)(=O)OC1CCC(NC(=O)C=Cc2ccc(Cl)cc2Cl)CC1 2325883703 ZWEJTDUWTXGVFO-UHFFFAOYSA-N 434.385 4.581 30 10 IJEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccncc1 2326625535 JIKSXHUQDQWJAK-UHFFFAOYSA-N 430.375 4.953 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(O)c1Cl 2326733836 ZRPOZPDGDPFLQQ-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE Oc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCCc2ccccc2)cc1 2329349081 KUSRTECVMRSXKR-UHFFFAOYSA-N 444.560 4.918 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc[nH]1 2330066643 PCHPWGZSFOWYLJ-INIZCTEOSA-N 448.527 4.510 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360944073 NZQMMJNNRFPNLL-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1nc(CC)cs1)c1cc(Br)c(Br)s1 2363977681 ADZKHWUZMLVNCE-LLVKDONJSA-N 434.222 4.994 30 10 IJEE Cc1cc(Br)sc1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364923665 RACOXQJMBIAFKC-UHFFFAOYSA-N 433.180 4.602 30 10 IJEE Cc1cc(CN2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369729064 XYVRZAHBKFTXSM-VABKMULXSA-N 448.460 4.778 30 10 IJEE CC1(C)CCC[C@@](C#N)(Cc2ccc(I)c(Br)c2)C1=O 2377396120 DMTWKIORWVCKOL-INIZCTEOSA-N 446.126 4.885 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2ccc(O)c(OC)c2)C1=O 1182059 MWOANJYOOFZTQI-LICLKQGHSA-N 431.897 4.598 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C 16064146 OBFSUYITRPAWJJ-KRWDZBQOSA-N 436.581 4.849 30 10 IJEE Cc1cccc(CSc2nnc(N/N=C/c3cccc(Oc4ccccc4)c3)n2N)c1 20292472 SGQBSDNLFLIWCP-MFKUBSTISA-N 430.537 4.831 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1OC 21226969 PNBQMJARPHVQIZ-AEFFLSMTSA-N 425.912 4.752 30 10 IJEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(Br)ccc2F)cc1 21256211 MLBUMJFSIYZOEI-PBHICJAKSA-N 428.301 4.901 30 10 IJEE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825189 DLBLASHHRUMCKR-VFCFBJKWSA-N 446.576 4.588 30 10 IJEE C=CCNC(=O)c1cc2ccc(OC(=O)/C=C/c3ccc(Cl)c(Cl)c3)cc2oc1=O 40894049 NXVZEGCTSWWHMW-XBXARRHUSA-N 444.270 4.634 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 41501945 INPSDFRPHGBDTR-UCQKPKSFSA-N 430.456 4.985 30 10 IJEE COc1cccc(C(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)c1 59014478 LCHQYRQPGMJXEG-ZVBGSRNCSA-N 436.324 4.541 30 10 IJEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccs2)n1 59016486 BCPFBRSXLKTEGR-UDWIEESQSA-N 446.627 4.935 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC)cc1 100197601 FXSFECADZKPNNG-UHFFFAOYSA-N 427.570 4.522 30 10 IJEE O=C(Nc1cccc(C#Cc2ccccn2)c1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 105672694 DWUWTLCJNFQFMX-UHFFFAOYSA-N 436.490 4.937 30 10 IJEE CCOC(=O)Cc1csc(N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)n1 169942701 UYWNASNGLDQWIM-FMCGGJTJSA-N 429.929 4.927 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccncc2)c1 170025615 KCZSWGIUXQWLRP-HSZRJFAPSA-N 430.479 4.924 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 170064809 WUYAXRIKGHJNMU-JOCHJYFZSA-N 436.483 4.700 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccco2)c(C)c1 170098372 WFBLWMSIEWCALD-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(C)o1 170100470 JSYKCQPFXZJUGQ-DEOSSOPVSA-N 431.488 4.694 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1C1CCCC1 170126168 UEZMUUIHSQOGDE-IQMFZBJNSA-N 433.504 4.540 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1cccnc1 170190436 AHVCVJKEWLCTAU-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(O)c2)cc1C 170258956 ONXVEKYCSOPICZ-QHCPKHFHSA-N 445.471 4.588 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccco1 170280017 FRMNNTKMPQXIRJ-DEOSSOPVSA-N 443.499 4.946 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccco2)cc1C 170291298 XGBZURGSDDCCMA-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccncc1)c1cccs1 170359217 FLAMWYXHWVHEMA-QGZVFWFLSA-N 441.306 4.689 30 10 IJEE C=CCc1cc(CNC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc(OC)c1O 237357952 MREOYXGJCRJNCD-UHFFFAOYSA-N 434.502 4.902 30 10 IJEE CCOC(=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 254449545 PYBBFRGFAHPUOK-DQLMEKPOSA-N 426.925 4.959 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1CCC 407023293 QQPLGKPGXRHRNI-JKSUJKDBSA-N 429.403 4.566 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 475565581 XCDXOEKSQNDQKK-SFHVURJKSA-N 448.567 4.766 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)cn2)nc2scc(-c3ccccc3)c2c1=O 505449365 NTMWRZZVUBHDKJ-UHFFFAOYSA-N 449.557 4.785 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 508812590 LGTCTBCQAMQMSZ-VGOFRKELSA-N 429.499 4.785 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 508847894 LXRWGYCPLWUKAD-XMMPIXPASA-N 443.595 4.539 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@]2(C1)OCc1ccccc12 508892800 FARXSZRDWINCTN-XMMPIXPASA-N 436.943 4.819 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccccc2OC)C1 509013897 VKAGEJCHEMXHPA-SSPYTLHUSA-N 430.552 4.712 30 10 IJEE O=C(c1ncccc1OCC(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 512403766 FFEHMSMKSCUMLQ-QGZVFWFLSA-N 436.327 4.752 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1ccccc1O)c1ccc2c(c1)OCCO2 518946000 AFUGGNQFBOAAFX-UHFFFAOYSA-N 445.515 4.894 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccnc2)cc1OC 526604369 IIPZPYHARZHLEI-XMMPIXPASA-N 441.487 4.808 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCc3nc(O)ccc32)cc1OCC 553398062 IIVHYIJZPIHOGT-QGZVFWFLSA-N 433.346 4.680 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C#N)ccc1F 687738771 ONMBHJKFNKLVEA-SANMLTNESA-N 444.462 4.926 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(CCc2cccs2)C(=S)N[C@@H]1c1cscn1 731429343 FIDRUOWHSOHMJP-HXUWFJFHSA-N 439.631 4.987 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2ccc(OC)c(C#N)c2)cc1 746740265 FAUWHDHCAPXOSR-UHFFFAOYSA-N 438.531 4.777 30 10 IJEE N#Cc1cccc([C@H]2CN(c3nnc(CC4CCCC4)n3Cc3ccccc3)CCO2)c1 802128029 HXQDQMXKRQHTLC-XMMPIXPASA-N 427.552 4.509 30 10 IJEE C[C@H](Sc1ccccc1Cl)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 919509912 FABRXJCQBLOHPW-NEPJUHHUSA-N 434.970 4.813 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)Cn1c(COc2ccccc2)nc2ccccc21 1124452480 YXMJUKBUAXOPTF-UHFFFAOYSA-N 428.488 4.958 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1cc(Br)cs1 1124535242 RCPOGUAFTSAEEY-UHFFFAOYSA-N 439.327 4.573 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OCc3ccccc3)nc2)CCCN1C(=O)OC(C)(C)C 1125248926 IMMVYTWLAMXBQF-RUZDIDTESA-N 437.540 4.945 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(C)nc1-c1ccc(C)o1 1125736418 OZOAMIHYSOUAPD-UHFFFAOYSA-N 432.293 4.719 30 10 IJEE O=C(Cc1ccc2c(c1)OC(F)(F)O2)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1127561616 FEZREOREQHEHME-OAHLLOKOSA-N 439.283 4.572 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)CCCN3CCN(c4ccccc4)CC3)c2C#N)CC[C@H]1C 1129354946 CPNAPGWQQUOWFB-MOPGFXCFSA-N 436.625 4.846 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC2(c3ccccc3F)CCC2)nnc1-c1ccco1 1130126022 IQTAGANERGNFPA-UHFFFAOYSA-N 426.517 4.541 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc1OC 1132656828 YWPJSOVVSDEFMW-OFWXLPKTSA-N 427.928 4.963 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](C)c2nc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1137459071 GNJDAFMJGDGJKU-MWTRTKDXSA-N 429.586 4.862 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 1137848315 CUSBTCRQOZVXPS-IBGZPJMESA-N 438.490 4.718 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCCC1(C)C 1139510885 HSKOGNVDJZVZLD-NRFANRHFSA-N 430.545 4.833 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1COC(C)(C)C1 1158490491 TXRPLTIKFDRTCH-UUOWRZLLSA-N 448.563 4.544 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c1 1215273762 UCXXPGNDKXBTOT-NRFANRHFSA-N 441.572 4.780 30 10 IJEE COc1cc([C@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)ccc1OC(C)C 1217645804 GRLZPCGOVVIMSE-ZDUSSCGKSA-N 432.318 4.999 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 1219462739 LSBGBOLKHAEEMH-NQIIRXRSSA-N 429.561 4.815 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1F 1252480694 ZXDMHEIFCNROTI-LSDHHAIUSA-N 426.801 4.509 30 10 IJEE C=CCC1(CNC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CCCC1 1272416623 BALJBMWSZQIMQY-NBVRZTHBSA-N 432.586 4.670 30 10 IJEE C=C(CC)CNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1275911341 ZAILJUDXJSMSJP-UHFFFAOYSA-N 434.561 4.778 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC(F)(F)C1 1286275652 SPJQUKXIAVHGNO-CHWSQXEVSA-N 441.295 4.740 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286344115 ZALWBDXUINRCPE-LEWJYISDSA-N 435.597 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H]2c2ccc(COC)o2)nnc1C(C)(C)C 1286561890 HDOMSZOCBYHRLG-QFUCXCTJSA-N 428.577 4.638 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1286612951 ZUHZSJLUMBMFQP-IBGZPJMESA-N 430.980 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CCC(N)=O)CC1 1286622431 HKMBCZIHDYKNKF-UHFFFAOYSA-N 448.036 4.510 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(Br)cc2)CC1 1286663382 LNTAJHKKCKWBBJ-IBGZPJMESA-N 445.405 4.580 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(C)(C)C)c1ccccc1 1286681328 LYIBOYAAYHDNCY-FKBYEOEOSA-N 426.605 4.844 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286685010 PVYNPXXKSQEVMT-SFHVURJKSA-N 443.567 4.886 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1Cc1cscc1C 1286740469 NURSVLVFDKGYER-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)SC)C1 1286802467 UIWZQFYNBXWPPJ-FUHWJXTLSA-N 432.659 4.808 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(F)cc2Cl)C1 1286812068 LCNQOIWSOOCDDF-IBGZPJMESA-N 446.979 4.747 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1288483831 CLEWASHROKIJSK-HJPURHCSSA-N 433.537 4.576 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 1292613416 PYCRBDOCPVNYPA-SFHVURJKSA-N 449.910 4.665 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(SC)c1 1293931561 GDMKRMVYZWVZLO-KRWDZBQOSA-N 436.585 4.519 30 10 IJEE CC[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CCN1Cc1ccccc1 1296188325 GXKTYKFQNQUCDM-AREMUKBSSA-N 439.559 4.874 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 1297140245 XMLAPDNHSXIDFT-VBKZILBWSA-N 449.334 4.662 30 10 IJEE C=CCC[C@H](NC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1)C(=O)OCC 1298023898 FQWIITOZTRJXEB-INIZCTEOSA-N 432.542 4.876 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CC[C@H](C)O1 1299073879 OSCHJWREMPUTDW-CEYNDMKZSA-N 448.563 4.544 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCSC(C)C 1300649877 PQAAYKBPXXWFLF-UHFFFAOYSA-N 443.617 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(OC)C1 1300872744 CWVUUGANPUIGML-CGYQNGNCSA-N 448.970 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(C)C)CC1 1301159747 FHAWCSCSUUPEMO-UHFFFAOYSA-N 429.584 4.565 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1c(C)nn(C)c1C 1301208083 NNNHYAXZCGAFPP-UHFFFAOYSA-N 449.422 4.722 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCc1ccncc1 1301375187 LDBJNQMWLWNFMJ-UHFFFAOYSA-N 430.375 4.585 30 10 IJEE N#Cc1ccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1Br 1310712589 HQNZZBHLSZZBBY-UHFFFAOYSA-N 446.308 4.981 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)C(C)C 1310921341 ROTHOHLEDRFNJQ-AZUAARDMSA-N 440.485 4.908 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(OC)c(F)c1)c1ccc2c(c1)OCO2 1350354346 MJWCNTZHHZRDKL-UHFFFAOYSA-N 449.478 4.904 30 10 IJEE Cc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)nn1C(C)C 1350369602 GRUZVDIOJWYMCQ-UHFFFAOYSA-N 433.459 4.963 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4cccc(Cl)c4)c(C)s3)cc2C1=O 1352696044 WWXYPQDYIRMHNO-UHFFFAOYSA-N 437.908 4.806 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1OC 1353515823 ZUMBJBFUQFVPIS-WYMLVPIESA-N 442.559 4.771 30 10 IJEE C=C(C)Cn1c(C2CCCCC2)nnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 1356071959 KRSIXUICXSYBAR-NRFANRHFSA-N 425.621 4.521 30 10 IJEE C=CCC[C@@H](NC(=O)CCNC(=O)OCC(F)(F)F)c1ccc(C(F)(F)F)cc1 1357297145 OOBLKQHEAGLASH-CQSZACIVSA-N 426.357 4.508 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1358915138 SSSYUNYSEVAEMD-HSZRJFAPSA-N 439.673 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@H](C)C1 1358988224 IJXHPTKOKYIIRO-YADHBBJMSA-N 432.612 4.911 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC=C(C)C1 1359105498 PZVKOSKKGVZECS-CVDCTZTESA-N 440.613 4.717 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCN2CCC[C@@H](C)C2)CC1 1359169750 UJNXTQQOJUKLDB-DNVJHFABSA-N 443.680 4.865 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1359174872 SDRINXRBNXCPDC-QUCCMNQESA-N 432.515 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(F)cc1)C(C)C 1359182895 XBNOYNMQBCXZKP-UHFFFAOYSA-N 427.568 4.671 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCCC)CC1)c1ccccc1 1359193486 FDIUKJBPULVKQC-VWNXMTODSA-N 448.615 4.824 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1359202036 HRHOIZPZKLYQKZ-WOJBJXKFSA-N 448.615 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1359236075 YEEYAGZVCPJGQP-KKSFZXQISA-N 449.393 4.686 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@](C)(O)CCC)C1CC1 1359247900 SUABCKYGZRIXOU-FQEVSTJZSA-N 437.357 4.553 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCc1ccsc1 1359256660 MNEOKHKIFFRWQM-JOCHJYFZSA-N 433.581 4.541 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC2(CCCCC2)C1)C(C)C 1359265206 AUDKTCMDHFDRBV-GOTSBHOMSA-N 441.664 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1cc(Cl)c(OC)c(OC)c1 1359270398 NTWMYZCHNKLWMI-UHFFFAOYSA-N 439.947 4.546 30 10 IJEE COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1OC)CCO2 1361223242 IDOCAPNHFUCXAT-HSZRJFAPSA-N 428.488 4.742 30 10 IJEE C=CC[C@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)CCC)c1ccc(Cl)c(Cl)c1 1436027674 MDMHUSILCCFANA-MSOLQXFVSA-N 434.385 4.748 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1436277620 BMCCPPSJDZCXRZ-NRFANRHFSA-N 425.532 4.945 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC=C)CC1 1439018300 PTSQZYLFUXVSHB-KOMQPUFPSA-N 449.407 4.838 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)c1 1441760820 ACPVDSVKMDYICJ-VQTJNVASSA-N 431.561 4.649 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 1450702008 POOVKQYREUTHBD-IBGZPJMESA-N 445.535 4.923 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 1451299700 IGTNHUKPKTVZHT-QFIPXVFZSA-N 438.524 4.544 30 10 IJEE C#CCN(Cc1ccc(C(=O)OC)c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1459521372 ZDTCJNWPFHDSOT-LJQANCHMSA-N 448.744 4.848 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1OC 1462351310 SBVXQVCBRAWMHD-HSZRJFAPSA-N 431.960 4.533 30 10 IJEE N#Cc1cc(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)ccc1Cl 1464424756 AACOAVMDTVXHHY-SFHVURJKSA-N 431.879 4.539 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)c1 1464625914 CZJTVZZOFLSOCT-LJQANCHMSA-N 432.545 4.909 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2C)CC1)c1ccc(Br)cc1 1470662791 IMNCLRQZISKDJO-LJQANCHMSA-N 446.776 4.617 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 1472391673 YVKFBEJYPCNVIJ-FUHWJXTLSA-N 435.634 4.866 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 1475884329 HBRUPLDZMVUBIZ-UHFFFAOYSA-N 428.920 4.770 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccccc1 1476441263 GWCPSOFLUNRPGM-PZJWPPBQSA-N 426.442 4.766 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1 1477191954 LNGPVZCHEGHOTI-UHFFFAOYSA-N 425.532 4.597 30 10 IJEE CSc1cc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)ccn1 1505199618 AUZYZFNAVNDFEA-JOCHJYFZSA-N 438.988 4.894 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1ccc(OC)cc1 1507606449 MFOBPVZACJPEKC-UHFFFAOYSA-N 434.609 4.986 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1SC 1507800282 MTRPKKCEOYXZAO-IFMALSPDSA-N 435.597 4.680 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1507884252 RKNGPIIGCDGGGG-IBGZPJMESA-N 448.514 4.529 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 1507925015 XGCZIKJCCORNMM-AKIFATBCSA-N 448.615 4.678 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCN(C)[C@@H](C)CC)C1CC1 1507989283 ZALCTUFJLGYZOD-AWEZNQCLSA-N 438.439 4.654 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)on1 1508002681 LGUOJVJLBGYOEQ-FGZHOGPDSA-N 435.572 4.734 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC1(N(C)C)CCCCC1 1508036321 AIFWBQFEFQZOSV-UHFFFAOYSA-N 437.588 4.595 30 10 IJEE Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl 1519093689 DRPHPMPYKANYNJ-LJQANCHMSA-N 429.904 4.547 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(c3cccc(F)c3F)CCCC2)CCCN1C(=O)OC(C)(C)C 1522475011 CQIGJOHUBVQKNW-VWLOTQADSA-N 446.538 4.686 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 1523673206 FHXQRDBYAHORPW-UHFFFAOYSA-N 447.583 4.636 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(F)c(N3CCOC3=O)c2)s1 1525027145 FSWCTPYMOJQSLT-UHFFFAOYSA-N 441.937 4.573 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnn(-c3cccc(Cl)c3)c2CC)c(OC)c1 1525337589 NHEHMJZPRIIQCB-UHFFFAOYSA-N 425.916 4.843 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C/C=C\c2ccc(C)cc2)c(C(=O)OCC)c1C 1525887472 LRORYWGYOXLLQR-FPLPWBNLSA-N 427.522 4.926 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C 1526199678 COFJWLLJIWYMPP-UHFFFAOYSA-N 441.413 4.736 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1528714108 DHTAAEKEJRXPAQ-DENIHFKCSA-N 433.379 4.670 30 10 IJEE C=CCCn1cc(C(=O)N(Cc2ccc(OCC)cc2)c2ccc(OC)c(Cl)c2)nn1 1531084757 QCDICJWSLWDXHO-UHFFFAOYSA-N 440.931 4.762 30 10 IJEE C=CCCC[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 1532877388 JYCFJNXCCQLVBA-QPPBQGQZSA-N 426.988 4.970 30 10 IJEE N#CCCn1ncc(C(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)c1-c1ccccc1 1538327571 DSZGMLXFLMBSSE-UHFFFAOYSA-N 433.899 4.718 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc(C(C)(C)C)cs1 1539030985 VOJLCSJYWAGYJD-GOSISDBHSA-N 437.613 4.734 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccc(OC(C)(C)C)nc1 1539362570 DKGAPXQXOHQBMJ-UHFFFAOYSA-N 428.540 4.507 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccsc1 1539497957 PFBRLKBOITVMES-MRXNPFEDSA-N 430.574 4.622 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1539574128 HTEABVHXYUXNOE-LBPRGKRZSA-N 431.787 4.603 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1c(F)cccc1Cl 1539628074 MYEIPRXZZUFNJJ-IIBYNOLFSA-N 443.954 4.694 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1539632289 QNNUZWZWJJYBNQ-PXDATVDWSA-N 437.632 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H]1CCO[C@@H](C)C1 1539651608 IKWYOPQFURIUFX-PMACEKPBSA-N 434.588 4.943 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(CCCC)CCOC 1539790288 GMNNEZQWGITWAY-UHFFFAOYSA-N 427.774 4.713 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2CCOCC2)CC1 1539874220 KLFVYGZVODXNKJ-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1539909977 RGWSTELJLLSQQE-UHFFFAOYSA-N 440.617 4.536 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C2CC2)C1 1540013101 KPAWQIVPIFGVEH-QGZVFWFLSA-N 431.378 4.822 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1Cc1ccc(OC)nc1OC 1540126213 HGQAWUFCUKERCX-UHFFFAOYSA-N 433.556 4.589 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC(F)(F)C1 1540132981 BXHHTMXZHMVSDZ-OAQYLSRUSA-N 440.542 4.768 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2ccc(Cl)cc2C1)C(C)C 1540151765 LXLFVMYNQNAHLH-JOCHJYFZSA-N 428.024 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CCCCC1)N(C)C 1540158258 CTIYSRMXXVKKCO-FQEVSTJZSA-N 429.012 4.682 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC1CC2(CCOCC2)C1 1540187743 WADQHVYQDTVDKH-UHFFFAOYSA-N 426.605 4.902 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@H](C)[C@H]1C 1540880929 UEIOFKQFJIJKBT-RTBURBONSA-N 435.597 4.592 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1542583872 BVUJOZSSNKIISV-UXHICEINSA-N 439.353 4.990 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)c1ccncc1)c1ccc2c(c1)OCCO2 1543115832 WAVBCRSWNZIAOH-LJQANCHMSA-N 430.504 4.755 30 10 IJEE C=C(C)COCCNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1544313671 RJVIRWMOJAKFOZ-UHFFFAOYSA-N 425.326 4.987 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 1556214396 MIMXSNRSGKGOHX-UHFFFAOYSA-N 442.562 4.699 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 1556571954 DUOHFBBVPPIWKY-PKOBYXMFSA-N 438.490 4.718 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1557475714 TXFPCBAWVURJFS-JPYJTQIMSA-N 442.581 4.751 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 1559766255 CWQVGUSLSGHKGL-XMMPIXPASA-N 446.453 4.586 30 10 IJEE CSc1ccc([C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)N(C)C)cc1 1562705687 IBSGDWAOHGFVEG-KRWDZBQOSA-N 438.475 4.603 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](c1nccn1C)C(C)(C)CO)c1ccc(C(F)(F)F)cc1 1564407071 VMQFJQBWGINBDK-ROUUACIJSA-N 438.494 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 1564612530 SZWOOWXDGGLFDG-JVPBZIDWSA-N 425.342 4.710 30 10 IJEE C#CCN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CCCc2ccccc21 1564642569 NCMPVUZJHVXKMG-UXHICEINSA-N 443.316 4.744 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 1568333077 DBENFBZWLHZLDV-JOCHJYFZSA-N 447.000 4.808 30 10 IJEE C=CCN(C(=O)c1cc(Oc2ccccc2)ccn1)[C@@H](Cc1ccccc1)C(=O)OCC 1585016483 WEWUBSNIXXFXSM-DEOSSOPVSA-N 430.504 4.677 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1587807468 DLVCTPVMKQGMKS-VQIMIIECSA-N 431.378 4.545 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1587813289 LDUAOPBUXCSMMT-WMZOPIPTSA-N 430.394 4.619 30 10 IJEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccsc1)N(CC)CC 1587958111 PEXZEOZDEFPDPP-HSZRJFAPSA-N 444.608 4.707 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCC[C@H]1CC 1588581347 OABBYWIDRJGPPV-NHCUHLMSSA-N 431.584 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)CCCS1 1589151049 QEGBMFYOKWRKQU-NLSFWIRASA-N 428.577 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1589662927 DUQHYUHSMRXVTG-HSZRJFAPSA-N 439.648 4.651 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(C)C)C1 1593914160 CQUHMIWAVAHIPX-HNNXBMFYSA-N 439.785 4.854 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCc2scnc2C)CC1 1594134787 WVMWGLZFQJFKEL-UHFFFAOYSA-N 441.626 4.743 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2csc(CC)n2)CC1 1594202366 NKBLYKKZWMUFDD-UHFFFAOYSA-N 447.406 4.505 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594528557 KLMULIXNBMEWBQ-JRGCBEDISA-N 445.007 4.974 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1594709162 KKFJLACENIWSPI-GOSISDBHSA-N 425.968 4.615 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H]1C 1595085601 YKPGCACMWLVPHE-WMZHIEFXSA-N 448.615 4.777 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1595141260 DHIVEXIRIYQYGP-NNMXDRDESA-N 428.552 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[C@@H](O)C1 1595161615 GCXPZNYUSINISY-PZJWPPBQSA-N 440.588 4.813 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1595275781 OGLKSDLUYWVEEE-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(N2CCCCC2)cc1 1595867230 FFQBMLWJCGSGQW-JOCHJYFZSA-N 429.605 4.585 30 10 IJEE C=CCC[C@H](NC(=O)c1cnc(C2(C)OCCO2)s1)c1ccc(C(F)(F)F)cc1 1597058546 RZRFPXGOZNQDGH-HNNXBMFYSA-N 426.460 4.819 30 10 IJEE C=CCc1cc(C(=O)Nc2cnn(Cc3cc(F)ccc3Cl)c2)cc(OC)c1OC 1598347790 LMFIFBIAVNIRGZ-UHFFFAOYSA-N 429.879 4.722 30 10 IJEE C#Cc1ccc(NC(=O)CCCCCn2c(S)nc3ccccc3c2=O)c(Cl)c1 1598568453 UTFYUAHEGYVCME-UHFFFAOYSA-N 425.941 4.519 30 10 IJEE C#CCN(C(=O)c1cc(Br)cnc1Br)[C@@H]1CCCc2ccccc21 1611222689 HWOKIMQBYUDNFP-QGZVFWFLSA-N 448.158 4.760 30 10 IJEE Cc1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@](C)(C#N)C2)sc1C 1611843069 AFEVPBDOGRNHAA-OAQYLSRUSA-N 444.967 4.989 30 10 IJEE C=C[C@@H](C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O)c1ccccc1 1616527428 RETGDJJGAONXSD-GOSISDBHSA-N 432.358 4.527 30 10 IJEE C=CC[S@](=O)(=NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C)c1ccccc1 1618590066 UGWRRQMVKUWSRH-WJOKGBTCSA-N 432.549 4.672 30 10 IJEE C=CCCOCCCCC(=O)N1CCc2cc(Br)c(Br)cc2C1 1618777971 ZWRKSVFXAJADEY-UHFFFAOYSA-N 445.195 4.859 30 10 IJEE Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)ccc1Br 1622076838 HJLFKZAKKOOYBB-QGZVFWFLSA-N 439.762 4.808 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCCc3ccc(Br)cc32)c(OC)c1 1625056568 SPXSMYNSQCISJZ-UHFFFAOYSA-N 430.342 4.935 30 10 IJEE C#CCN(C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)[C@@H]1CCCc2ccccc21 1626832132 YCJSOLUUHUVIIZ-CYBMUJFWSA-N 430.402 4.737 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H]3CCC(C)(C)CN3C(=O)OC(C)(C)C)cc2n1 1627664595 VDVXMGSEIWVSSA-IBGZPJMESA-N 441.576 4.770 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@@H](OCC)C12CCC2 1631922956 ARGFXETUSAYTGQ-ZWKOTPCHSA-N 425.342 4.634 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)cc1 1632360189 GSCCQGFTGZWQOA-UHFFFAOYSA-N 430.533 4.667 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 1635542529 AWDRNAJHGXCJRW-NRFANRHFSA-N 443.613 4.534 30 10 IJEE C=CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)c1ccccc1 1638227717 UBYFWLAWMDDQQC-UHFFFAOYSA-N 434.517 4.523 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(F)cc1F 1638777978 BAFCFDQMFBIUSZ-CYBMUJFWSA-N 439.684 4.702 30 10 IJEE CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 1649579538 BOKKPRJTGVGGJO-UHFFFAOYSA-N 436.387 4.933 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1660671856 BIMYKHFBSDIBEZ-LBPRGKRZSA-N 432.286 4.943 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1 1663211301 JPDHMWHFEUEDSV-AWEZNQCLSA-N 435.293 4.930 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)cc1OC 1663573155 DRFKCAZZVVMWGH-MRXNPFEDSA-N 448.913 4.536 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c2)cc1 1666957946 AVBLLNJEERFVIR-UHFFFAOYSA-N 441.466 4.715 30 10 IJEE Cc1cc(C(F)(F)F)nn1CCNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1670754236 GKWMQLLTKCOIET-CYBMUJFWSA-N 446.754 4.606 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CCCC1(C)C 1672770364 PMJYMTVEKLRECW-OAQYLSRUSA-N 433.618 4.706 30 10 IJEE C#C[C@H](NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 1674020313 HUWYAEAXQKFIDL-RBUKOAKNSA-N 433.733 4.560 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CSc2ccc(Br)cc21)C(C)C 1675963791 IAWQASQXRNNAOP-QZTJIDSGSA-N 438.435 4.594 30 10 IJEE C=CC[C@H]1N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)CCCC1(C)C 1677447332 RKCSXBZXAWLUAH-JOCHJYFZSA-N 433.040 4.628 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 1678351626 QNDMKYJLWCRTRM-NRFANRHFSA-N 445.357 4.991 30 10 IJEE COc1cc(NC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c(F)cc1C#N 1679427894 DHQAXFQZLYLHGC-DEOSSOPVSA-N 431.467 4.942 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)cc21 1680802463 RAGIPTLKYUCXER-XMMPIXPASA-N 433.556 4.580 30 10 IJEE C#C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 1683497758 ILWRCSOUVSUKRM-RPBOFIJWSA-N 433.571 4.832 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)c1ncc(C)s1 1690038413 OTTPNJUBRIJRBS-HNNXBMFYSA-N 441.963 4.769 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCc1c[nH]c2c(CC)cccc12 1690038566 VDJQPZFLWIPNGG-UHFFFAOYSA-N 425.536 4.596 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[C@H]21 1690224654 REIDYZTXBMDSKN-SWLSCSKDSA-N 438.167 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1690236513 NWNZZIJPODYBHV-NRSPTQNISA-N 430.980 4.614 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnccn1 1690240831 LATDNGMLQNTWLV-NZQKXSOJSA-N 446.599 4.650 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1690248266 MAZKOFSSGMMRGN-XUZZJYLKSA-N 438.616 4.809 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1690258333 CLYQQZBCPNRCGN-CPJSRVTESA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CSCCS1 1690262470 BFAMAPWIAUBLOS-GOSISDBHSA-N 441.626 4.851 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(COC)CC1 1690305852 JXONFMPSYHPWFN-UHFFFAOYSA-N 439.387 4.707 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCCCCC2)CC1 1690367395 MUSAGWGJYIUPRN-UHFFFAOYSA-N 445.405 4.949 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCOC2CCCCC2)CC1 1690367711 ZEINUEOQOSKTAO-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOCC2CCOCC2)CC1 1690369057 WOHZAYAYLXZWBN-UHFFFAOYSA-N 430.980 4.588 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[S@@](=O)C(C)(C)C)CC1 1690399203 QGYWMBWLCRSEHM-URAOTHONSA-N 428.646 4.770 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@@]1(OCC)CCOC1 1690439491 HFZFCSYDBWVWQU-AUSIDOKSSA-N 430.618 4.936 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CC[C@H]1C[C@H](F)C1)C1CC1 1690549843 KITGTYLYULTNPK-JCNLHEQBSA-N 449.368 4.913 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CC1(SC)CCOCC1 1690569700 LPVGTNIQUJSASZ-UHFFFAOYSA-N 430.593 4.790 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCc1cccc(C)n1 1690569750 MKKNOSLLGQDUCE-UHFFFAOYSA-N 428.515 4.618 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC2(CCCC2)C1 1690736552 ITVDSKLBMOZZLF-UHFFFAOYSA-N 427.574 4.933 30 10 IJEE C=CCSCCn1c(N2CCN(C(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1690752945 VVQBNKQPGLSXDV-UHFFFAOYSA-N 439.673 4.588 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCC[C@H]1C 1692343306 AFHCVXISZLPUFW-WZONZLPQSA-N 429.996 4.916 30 10 IJEE CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCCC2)C1 1692447788 GEPSPIFNSQEMEN-QFIPXVFZSA-N 437.588 4.560 30 10 IJEE CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CCC(C#N)CC1)SC 1694270421 HWQROSZFRBYRDA-UHFFFAOYSA-N 427.618 4.539 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](c2cccs2)N(C)C)cc1 1694498964 AXGOPDRXWHYKTO-NRFANRHFSA-N 434.613 4.612 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccccc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1698491533 FNMWXGPXLKTDIL-UHFFFAOYSA-N 440.473 4.732 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1705540352 WLSYIBGNCFHMOA-YMPZKCBVSA-N 438.591 4.818 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCN1CCC 1705606087 JMQROXPMHFRNKU-NRFANRHFSA-N 430.600 4.526 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCSCC=C 1705607973 YNDIAHBPBOWMJG-UHFFFAOYSA-N 439.810 4.740 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCCC)CC1 1705657689 NJMWUKWLTDXBRF-SFHVURJKSA-N 433.021 4.750 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H](C)CCSCC 1705681942 LEVRRNVIDHFXHC-HNNXBMFYSA-N 439.423 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(F)(F)CC1 1705708335 AZYZJXODEBVPOP-UGKGYDQZSA-N 446.542 4.691 30 10 IJEE C=C(C)Cn1c(N2C[C@@H]3CCCCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728408 JSUVPJIGZXTIAK-HAGHYFMRSA-N 429.609 4.784 30 10 IJEE C=C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1705764891 QXUDWNXEYIYMFD-UHFFFAOYSA-N 437.544 4.715 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cccnc2OC)CC1 1705777055 WFLLSUIUEKLFRY-HXUWFJFHSA-N 447.583 4.889 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](CCC)OC)CC1 1705777869 RRYVRPZTQFNBFQ-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)C(C)(C)C1 1705794236 ACFZULSCPIMKGJ-KRWDZBQOSA-N 429.634 4.744 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnc(C(C)C)nc1 1705805664 LPBPNTFSFVQXDN-JOCHJYFZSA-N 448.571 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1Cc1ccc(F)cc1C(F)(F)F 1705875020 DUODNQRSGGYJHO-UHFFFAOYSA-N 431.437 4.649 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705888324 RCKOEDADNSTSGU-QOKNQOGYSA-N 431.378 4.917 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C 1710402665 HEMGBODBCQOTQP-DBXWQHBBSA-N 427.618 4.598 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](c1ccccc1)N(C)C 1722404981 IGRRZDDPTTZSLX-UGKGYDQZSA-N 447.652 4.894 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1722521797 XGCORWCZPCOYQY-NRFANRHFSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C)CC1 1722584996 NAWKIDZALOOWRS-UHFFFAOYSA-N 430.618 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1722587682 XDGAMRFVYQDUJQ-SFHVURJKSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Oc2ccccc2)C1 1722589145 MSOOIPURWJKRNJ-QHCPKHFHSA-N 448.615 4.790 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1722610028 KPSAPRFLFCXMKK-UHFFFAOYSA-N 445.892 4.587 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2CCC[C@H]21 1722623859 NAHUTNMLUVOZCT-HUUCEWRRSA-N 437.407 4.741 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722635530 YZDLUFCEHISUCU-HOTGVXAUSA-N 441.576 4.809 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1Cc1ncccc1C 1722654814 WCTCRWUGYWIXKL-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccoc1 1722656088 PWIYVFANOKZGPY-DHIUTWEWSA-N 445.567 4.902 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1Cc1csc(COC)n1 1722656895 LDXXQTOEBPINLN-UHFFFAOYSA-N 448.596 4.651 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722687875 QJOUMZNGRKXXNU-FQEVSTJZSA-N 438.597 4.907 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)C1 1722717176 FOPHBVWEKKXVDX-SFHVURJKSA-N 439.972 4.556 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1727682008 AFRNTGIQJJKBGM-CZUORRHYSA-N 446.502 4.965 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCCN1CCC(C)CC1 1740599804 FYBPSPOFDHKLTC-QHCPKHFHSA-N 437.632 4.616 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccsc2)CC1 1740714064 VOKCTYDHFYUKNI-UHFFFAOYSA-N 444.029 4.805 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 1740796999 IFBXKNZMTWDCDX-GASCZTMLSA-N 426.362 4.841 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)N(CC)CC)CC1 1740820427 CKVVNGRSTKNNGI-HXUWFJFHSA-N 441.620 4.628 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCOc2ccc(F)c(F)c2)CC1 1740841126 RJWRTBFKUSSWCO-UHFFFAOYSA-N 430.524 4.690 30 10 IJEE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C(=O)OC)C1 1740858144 JWKDICOEZXKLRI-NRFANRHFSA-N 447.583 4.708 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)N(C)C1CC1)C1CC1 1740907181 QUFMNKIAUWXKPZ-INIZCTEOSA-N 444.421 4.654 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CCc1sc(C)nc1C 1740935457 MQFYVFFHIYJTLO-UHFFFAOYSA-N 444.608 4.891 30 10 IJEE CC[C@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1744824858 HFYWVDHDNHFKLB-BEFAXECRSA-N 440.473 4.904 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCCC1(C)C 1748646491 ABGXAGVAGRJCSZ-CRICUBBOSA-N 449.624 4.776 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC=C(C)CC1 1749140978 WDUGMCRGWPYCBU-WMZHIEFXSA-N 440.613 4.717 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749169161 RVGKHYUGQZBFMS-FQEVSTJZSA-N 425.577 4.507 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1749280503 KKIAEDUOPSCYOQ-QGZVFWFLSA-N 444.988 4.891 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2nc(C(F)(F)F)cs2)CC1 1749293659 DJQWXQIOCJQSDX-UHFFFAOYSA-N 449.502 4.828 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2ncc(CC)s2)CC1 1749312944 ZSQXNGREAALVQD-UHFFFAOYSA-N 437.613 4.892 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749366999 OJZTUZQTULUVKW-UHFFFAOYSA-N 442.677 4.879 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1749377639 XJCIGAOXLWBJEQ-GOSISDBHSA-N 428.602 4.893 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1(C)C 1749486944 KXXAHDRVMQEWTO-MSOLQXFVSA-N 449.665 4.547 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC(C)CC1 1749529724 KLCWEFOYWFAQDN-NRFANRHFSA-N 434.632 4.760 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(OC)C1CC1 1749548672 HALHJZMKGYBQNH-XMMPIXPASA-N 433.581 4.886 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C 1749558831 YPPXVNMPSASBPM-KAOXLYBCSA-N 427.637 4.597 30 10 IJEE Cc1csc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@@H](C)C#N)n1 1751749640 HPDKTOYTDCBRRT-KBPBESRZSA-N 426.615 4.541 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCC(C)C 1760213118 QETIDZAOOPBZPE-UHFFFAOYSA-N 443.389 4.615 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1760246914 HWNAALVZHPURDA-WOJBJXKFSA-N 434.506 4.887 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N2CCCCCC2)CC1 1760398481 AAOWYIOHEPNSHC-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1760399590 SADTUNACTCGEHK-NRFANRHFSA-N 425.577 4.508 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760421702 XUTQSUAIYNFSFI-MSOLQXFVSA-N 429.996 4.700 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760444663 MZUOJRMNXXLCMQ-NHCUHLMSSA-N 439.560 4.634 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN(CC(C)C)C1)C1CC1 1760471681 DPVNXRUEFJSTGW-GOSISDBHSA-N 429.012 4.516 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCCCC1 1760477778 KRRNIACETLEHKB-UHFFFAOYSA-N 435.572 4.534 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760484706 IEPLNXCMFGULGN-SFHVURJKSA-N 445.583 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1Cc1ccccc1 1760491551 LCEPFZOOLPTGFZ-JOCHJYFZSA-N 449.002 4.837 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)CC(C)(C)C2)cc1 1760531493 QRWUFXHQOZDKFK-IBGZPJMESA-N 448.615 4.625 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1760564310 VOBWGNUHYQXMEO-JOCHJYFZSA-N 435.597 4.918 30 10 IJEE CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 1761567578 FHGNHNJDHHQUBB-UHFFFAOYSA-N 443.395 4.938 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(-c3ccc(C)o3)nnc2N(C)C[C@@H](C)C#N)cc1 1761767123 HZGMDMNTLPECGQ-ZEYPLWLESA-N 433.556 4.919 30 10 IJEE C[C@H](Oc1cccnc1NC(=O)Nc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1 1858840014 JPCOSSAAGNBUGZ-AWEZNQCLSA-N 435.871 4.657 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccncc2)c1 1862493310 MQQNJEUFVITJGI-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862512850 WIIDHFFVBDTCJX-JOCHJYFZSA-N 441.499 4.918 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862585721 CCYCGEBGGVJJMM-SFHVURJKSA-N 446.286 4.544 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862598782 ZLAQPQXFLPYYNV-FQQGMQMYSA-N 435.520 4.948 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862646147 YPQLQBRBDOWSSI-SFHVURJKSA-N 436.266 4.905 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)ccc1O 1862727479 GEUYAZTXSQRGNP-XMMPIXPASA-N 441.483 4.809 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(C)c(C)c2)C(=O)N(c2cccc(C#N)c2)C1=O 1862879042 GFHKNMYKKCPELO-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2ccc(F)cc2Cl)C1=O 1863063550 SOAZUVWDKOCSTR-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863086358 JCVNFGICQWTFKS-UHFFFAOYSA-N 425.463 4.965 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866752459 LMECRAGHMBACDG-VXKWHMMOSA-N 441.572 4.704 30 10 IJEE C[C@H]1C[C@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3cccc(Cl)c3)n2)C1 1870017056 FSELMOGVKDMVIX-HOTGVXAUSA-N 434.931 4.527 30 10 IJEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1871006664 PYGLFSJXJPTBOJ-UHFFFAOYSA-N 441.575 4.757 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1cc(C)ccc1C 1871159132 GDGMTCYJZIJCHI-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE Cc1cc(C)cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCO)c1 1871254278 WNDNLRDKXYHAEL-UHFFFAOYSA-N 445.563 4.691 30 10 IJEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)NC(c3ccccc3)c3ccccc3)o2)cc1 1871287117 OCJLMOCLWMXYIH-UHFFFAOYSA-N 429.501 4.590 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2C1=O 1871371145 PIOAMESTGZHWHX-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)c1 1871380302 HPJCRNMWUWKKMM-LMKPGGDOSA-N 443.455 4.642 30 10 IJEE Cc1c(OC[C@@H]2CCCO2)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871450238 RQXMUVMSKUYVQM-WMEYIKMASA-N 428.868 4.689 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(=O)(=O)CC 1871796132 RCFFHNZFCZKDEV-IBGZPJMESA-N 441.380 4.901 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872108176 ZEYKNKAKLHBCHR-DYESRHJHSA-N 434.627 4.931 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1cccc(Cl)c1Cl 1872724471 HRRLNPBDSRCIDE-UHFFFAOYSA-N 428.344 4.932 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccccc2)C1=O 1873162925 SAGGFUFUVJKVAJ-UHFFFAOYSA-N 425.617 4.591 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874283643 RUANXGYJTCKQQL-OEAKJJBVSA-N 426.929 4.575 30 10 IJEE Cc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874335084 GIFAQDUHFKIOLC-RVWJGDDESA-N 447.608 4.794 30 10 IJEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1CCCO1 1874451375 YCOGVIFJZKXEAP-CBVHTYNASA-N 436.368 4.949 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)NC2CCCCC2)cc1 1874531302 BYMHPXTZBUOLHW-LFVJCYFKSA-N 443.617 4.579 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1OC 1874603138 MRQDHNLMZPIRAP-UKTHLTGXSA-N 435.451 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCC(=O)OCC(C)C 1874639348 VGNFPFRSSJRYAD-VMPITWQZSA-N 432.900 4.831 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1F 1874706969 IPCDPMUPGPMVJE-WUXMJOGZSA-N 434.419 4.875 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(F)c(F)c1 1874707413 DSRZGZKDTNIMGP-FARCUNLSSA-N 438.382 4.817 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 1874741311 ODDYEEXHVOLOFR-GOSISDBHSA-N 427.928 4.960 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875134864 ONBOUKUDZWUORM-SOFGYWHQSA-N 437.370 4.974 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 1875174896 OHHQASFPNJMWGQ-DJGBTNNQSA-N 439.464 4.591 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(OC)c2)cc1Cl 1875175922 OAFPFEXORFDKKW-VQHVLOKHSA-N 430.884 4.967 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1COC[C@@H]1N(CCC)C(=O)OC(C)(C)C 1922087010 VOIIMNZMKKLMGU-SGNDLWITSA-N 446.632 4.790 30 10 IJEE N#Cc1ccccc1[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 1951622980 FWXSLAUGFXHXLL-ZEQRLZLVSA-N 438.483 4.607 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1999931754 PRGYBKYHXDLBIZ-IIBYNOLFSA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 2000206048 SIUIHJKBJCBUOD-KRWDZBQOSA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1C#N 2010516223 OBQACLJHEILJOA-IBGZPJMESA-N 443.931 4.650 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OC(=O)C=Cc1nc2ccccc2s1 2042442930 LYCQCAFUPDJQBA-UHFFFAOYSA-N 429.295 4.948 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2057574607 XNVZTSURPKFCPN-OSWMTFESSA-N 443.544 4.728 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NC1(C#N)CCCCCCC1 2060786458 UYAWTDYJDVPPPC-OAQYLSRUSA-N 443.588 4.609 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2067829005 XURDYRSLOCKFJD-VRUMLPLGSA-N 446.632 4.524 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1Br 2080227913 ABIHYDOHYOSFAJ-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1F 2102880599 QWUXSCXNJYUEAH-SJLPKXTDSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CO[C@H](C(F)(F)F)C1 2129096038 HUOZKSYFALMYRG-BBRMVZONSA-N 435.240 4.804 30 10 IJEE N#C[C@]1(Nc2ccc(Br)cc2)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156276654 HACJAJJXPJTWGL-VXKWHMMOSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2Nc2ccc(C#N)c(Br)c2F)C1 2162340765 CHWJTPKXMZNKHO-RRFJBIMHSA-N 438.341 4.907 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2174764995 GHWXTIOMAFZFOO-CFVMTHIKSA-N 438.341 4.684 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2c2cc(Br)c(C#N)cc2F)C1 2174768634 DRKJFWDBQUAZCO-GUYCJALGSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@H]2CCCC[C@H]21 2174815769 WZMQATYHNCYKNY-DLBZAZTESA-N 438.341 4.828 30 10 IJEE Cc1sc(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2226122644 DKIYONGABWRWNH-SGTLLEGYSA-N 426.185 4.517 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H](C#Cc2ccccc2Br)NC)C1 2235723094 BFAFLZJQZWRWHD-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235728439 MHRMETZYEMEWFH-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2235745851 GLYBKFFJURHDQC-QWFCFKBJSA-N 433.390 4.638 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2235750249 SQEGNQPMFGZOEP-AJYBTWMASA-N 433.390 4.567 30 10 IJEE C=C[C@H]1COCCN1[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2269838891 LHZXVSSAIMVPFR-UIOOFZCWSA-N 444.575 4.731 30 10 IJEE N[C@@H](C#Cc1ccccc1Cl)c1ccc(I)c(Br)c1 2277847139 AUBOULBPVVHVCW-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CCOc1ccc(C=C2SC(=Nc3cccc(Br)c3)NC2=O)cc1OC 2296020914 ANDYFUHZNSOKKA-UHFFFAOYSA-N 433.327 4.748 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 2297747894 YUBAYXRYTXKQTG-INIZCTEOSA-N 425.535 4.523 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2304989403 KQGZMIDDGHLKIR-CKJXQJPGSA-N 434.541 4.606 30 10 IJEE C=CC[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317335585 IQFPLSWDHIWNGJ-KAUXGEHWSA-N 430.354 4.574 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CC2)n1N=Cc1cccc(Cl)c1)c1ccccc1 2320897114 FJJPFQFLJCTZRY-HNNXBMFYSA-N 439.972 4.661 30 10 IJEE CCCCCOc1ccccc1C=Nn1c(S)nnc1Cc1ccccc1[N+](=O)[O-] 2322095759 QGEMNLVCRPAMCZ-UHFFFAOYSA-N 425.514 4.517 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCCO)c1 2322860591 YOUNDVBKKQKMKS-UHFFFAOYSA-N 434.916 4.803 30 10 IJEE COc1cc(C=CC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(OC)c1OC 2323177599 QHLVCYNNRRILMU-UHFFFAOYSA-N 445.515 4.524 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2323607542 NFWQAXBSLKEWOX-UHFFFAOYSA-N 430.412 4.610 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4ccccc4)CC3)C2=O)c1 2324161786 OIOJFWXOASDWDD-UHFFFAOYSA-N 426.516 4.639 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2325302301 ZAJZBYYFSLYKQU-OAHLLOKOSA-N 430.485 4.950 30 10 IJEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325512775 RHCRXKFHNDJKGM-UHFFFAOYSA-N 425.514 4.717 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)C(F)(F)F 2325751150 QRXKJFVWXYEXCW-UHFFFAOYSA-N 447.178 4.961 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326252191 IENNXASIHWXEED-UHFFFAOYSA-N 443.504 4.851 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2326758910 DVLJRZGXMGCSDX-UHFFFAOYSA-N 448.470 4.820 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1 2329135231 UJOSWWGTRRUCQH-UHFFFAOYSA-N 442.972 4.696 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccccn1 2330798634 YQJVKUHTZLNJLI-UHFFFAOYSA-N 429.472 4.943 30 10 IJEE CCOc1cc(C=Nn2c(SC)nnc2C(F)(F)F)ccc1OCc1ccccc1 2331105155 MOUMUHFEGJEXQB-UHFFFAOYSA-N 436.459 4.879 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(F)(F)F)cc1 2331122980 MUFKCVUJUFFDNA-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)c1ccco1 2331396249 CBUGHSMRGWIRNM-UHFFFAOYSA-N 440.835 4.828 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cc(Cl)ccc2O)cc1 2331506079 RFYSZLRBJLLIRG-UHFFFAOYSA-N 443.916 4.987 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1OC 2331594809 CXOHQFFSLYFBCE-UHFFFAOYSA-N 448.548 4.769 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C(C)C)c1 2331687410 FYPXFDOIXTZVCO-UHFFFAOYSA-N 437.569 4.722 30 10 IJEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2339536642 LMKRCRFJKKADGY-QZASHXROSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587996 BHWLWEIKIRNMFX-KOSVWKSTSA-N 443.397 4.832 30 10 IJEE N[C@@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)cc1I 2340066855 VLQGWXHPTNTVLK-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cc(OC)ccc2OC)cc1 21660446 HYFKXXIEEHQBRC-FYSMJZIKSA-N 446.503 4.967 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(F)cc3)ccc2O1 35023744 PYVSGFRRBFOTBX-PEBXRYMYSA-N 433.435 4.521 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(O)c(OCC)c1 39914512 DPWXDMLWCUDRIC-JOCHJYFZSA-N 439.899 4.580 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1cccs1)CO2 41588186 ULDSCNLKXJWHPY-UKWGHVSLSA-N 434.473 4.933 30 10 IJEE Cc1nn(Cc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)oc2C)c(C)c1C 96397351 HYFOEFQOILAOOI-UHFFFAOYSA-N 425.492 4.944 30 10 IJEE Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 105492181 LLVIOTOEMLMYGT-UHFFFAOYSA-N 440.290 4.836 30 10 IJEE CCOc1cc(/C=N/Nc2ccc(C(=O)O)cn2)ccc1OCc1cccc(Cl)c1 169877911 FZEXDKOQYBKPRV-BRJLIKDPSA-N 425.872 4.857 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2-c2ccccc2OCC)ccc1OC(C)C 169912176 JYYWAPUGBATWIF-UCQKPKSFSA-N 426.542 4.701 30 10 IJEE CCOc1ccccc1-c1nnc(S)n1/N=C\c1cc(Cl)c(OCC)c(OCC)c1 169912240 TYGOYZRRYDZHAQ-QRVIBDJDSA-N 446.960 4.966 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2OC)c1 169941789 NWGKPPJODAUVBK-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COC(=O)c1sc(N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)nc1C 169943457 VCYQNAPVAMSLFJ-FMCGGJTJSA-N 425.510 4.580 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949870 YZGMZRPENJNKSO-JOCHJYFZSA-N 439.483 4.672 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)ccc1F 169953377 YEIICOOEZXABHS-QHCPKHFHSA-N 430.479 4.983 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccs2)c1 169988902 MONFWHRXHNIMIN-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2)cc1 170029187 ZWJMICDCGZEVNN-HXUWFJFHSA-N 434.517 4.942 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170104364 BEHYEIBQBXUGGT-JOCHJYFZSA-N 436.483 4.539 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1OC(C)C 170151060 VABNIQUJLLTHIQ-IBGZPJMESA-N 428.554 4.926 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)s1 170174122 HNXZNRLDDVDMAA-KRWDZBQOSA-N 425.897 4.591 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1C 170258253 DJNFRXSISDYGKE-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccccc1 170420564 PBLWNAGKISXWSP-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CCOc1c(Cl)cc(CNC(=O)/C=C\c2cn(CCC#N)c3ccccc23)cc1OC 213572233 PMTBUVHJTQHBHI-KTKRTIGZSA-N 437.927 4.945 30 10 IJEE CC1(C)OB(c2ccc(COc3c(F)cc(F)cc3Br)cc2)OC1(C)C 312782369 OHNWPTAOVSFXRE-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=CCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc(C(=O)OCC)cs1 409815988 LAHKIDITJJUYRT-UHFFFAOYSA-N 445.928 4.780 30 10 IJEE N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)s1 435488523 CDJNJWQKOBAJDU-UHFFFAOYSA-N 442.909 4.809 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]2C 439884405 UGSOBWAGPAIWCW-KRWDZBQOSA-N 431.565 4.782 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 447201828 VRNBEJPEQCOLMW-WZONZLPQSA-N 438.524 4.656 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460773492 KRONCAGPTSSLJJ-MHZLTWQESA-N 430.596 4.560 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460798795 XEYWZBJZXACCAV-QGZVFWFLSA-N 435.450 4.988 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCc3cnn(C(C)C)c3C2)cc1OCC 480482535 QMEWOOMSURKVFI-SFHVURJKSA-N 448.405 4.837 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 490498907 HJZUGKAZGZDLPQ-UHFFFAOYSA-N 431.905 4.930 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508478449 RRCXABGIMXJKRQ-IRXDYDNUSA-N 440.523 4.634 30 10 IJEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2coc3ccc(F)cc3c2=O)c1 526514543 DWBGTFGCDPBCSG-OAQYLSRUSA-N 444.443 4.922 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2cccc(Cl)c2)cc1OC 526811974 FERBZFQUXJQIRW-FMCGGJTJSA-N 446.960 4.830 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526828941 OTZINBYQTPEWRY-KSEXSDGBSA-N 435.431 4.942 30 10 IJEE C=CCN(C(=O)CCCn1ccc2cc(Cl)ccc21)c1nc(C(=O)OCC)cs1 536322571 ACYPONSOJGZGQJ-UHFFFAOYSA-N 431.945 4.927 30 10 IJEE COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 543212735 BPVXVHULUYVOGY-BJKOFHAPSA-N 442.515 4.905 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)c1nc(CN2CCCC2)nc2sc(C)c(C)c12 557735509 YKAOCZRLDVRNFZ-UHFFFAOYSA-N 426.586 4.572 30 10 IJEE CC(=O)Oc1ccc([C@]2(C)CC(C)(C)Oc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1 575449191 KNWJMWPDRFMBCX-SANMLTNESA-N 436.357 4.778 30 10 IJEE CCCOc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CCCc3ccc(C)cc3)CCN2)cc1 585840748 RNEMLCKXZNGIGG-AIJAUHCXSA-N 448.607 4.626 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Br)c1 698822629 BRQVTIKEGYHDFG-AWEZNQCLSA-N 428.124 4.647 30 10 IJEE N#Cc1ccc(Cc2cnc(NCc3cn(-c4ccccc4)nn3)s2)c(C(F)(F)F)c1 758451408 GUSBHISSAXNRIC-UHFFFAOYSA-N 440.454 4.817 30 10 IJEE C#CCN(C(=O)NCC(C)(C)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 801064407 ZMXWSUHZZNWZCU-CQSZACIVSA-N 433.268 4.506 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccccc2)n1)Nc1cc(Cl)ccc1Cl 1084396561 VPTMKBQJLPDDMC-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE C=CC[C@]1(c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCN1C(=O)OC(C)(C)C 1117195666 KFQSJBVHCVTBGL-HSZRJFAPSA-N 445.516 4.565 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)s1 1128370526 KEULBSNUZDAOLM-HOTGVXAUSA-N 437.034 4.509 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2ccc(Cl)c(OC)c2)s1 1129288561 BCUCPFFRZCFILI-UHFFFAOYSA-N 431.410 4.860 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)c2cc(Br)ccc2oc1=O)c1ccc(Cl)cc1F 1129615527 AYGGFMGEJIMECZ-MRXNPFEDSA-N 448.675 4.761 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 1129663672 JOLATSXZDKXYKR-LEWJYISDSA-N 431.363 4.902 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)cc1OC 1148593076 CPLCLTJIOLFFQK-IWHGQQBYSA-N 427.928 4.957 30 10 IJEE C=CC1(CC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)CN(C(=O)OC(C)(C)C)C1 1162480253 GMRXSONCGVPAMI-UHFFFAOYSA-N 445.629 4.541 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CS(=O)(=O)c3cccc(F)c3)c2C#N)C1 1166816683 HMQHJQXDXREYMY-AWEZNQCLSA-N 448.585 4.712 30 10 IJEE C#C[C@H](NC(=O)Nc1nn(CC(F)F)c2ccccc12)c1ccc(Br)cc1 1220454855 LJRQQRLQWMYZNV-HNNXBMFYSA-N 433.256 4.560 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(Br)cc1 1251403141 JCXREZGPJDOCNP-IFXJQAMLSA-N 441.304 4.509 30 10 IJEE N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1 1260425964 HGHULSSBTBHPSS-UHFFFAOYSA-N 429.756 4.893 30 10 IJEE C=CCC[C@H](NC(=O)c1nnn(-c2cccc(Br)c2)c1C)c1ccccc1 1266420555 DSBJTBUNOKFOAU-IBGZPJMESA-N 425.330 4.776 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[C@@H]1CCCCO1 1286278976 IMHLPFCQAICRND-BJLQDIEVSA-N 426.630 4.939 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC2(CC2)C1 1286346096 UWXHYVGEKCWGGW-UHFFFAOYSA-N 429.362 4.510 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCCC(C)(C)C1 1286366915 GMRBRGFMXAEVCE-UHFFFAOYSA-N 437.632 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CCN(C2CC2)CC1 1286567894 PGVWBSMACQGYGE-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1C 1286582755 FJKBKUHWTFNTDO-OALUTQOASA-N 430.618 4.654 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286682579 AVXYOAGKELQVCH-IFMALSPDSA-N 437.588 4.509 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286687881 STYUSPLGLOOFPT-IBGZPJMESA-N 447.461 4.724 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1286708546 VLTGQKDUFWFLSC-HSZRJFAPSA-N 427.980 4.913 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@H]1C 1286714542 RLBLEULKEXIRJY-HZPDHXFCSA-N 439.387 4.991 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1ccncc1Cl)C1CC1 1286739562 HIBOXDVZWYPWTA-UHFFFAOYSA-N 430.339 4.762 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(n1)CCCC2 1286760743 QDMKQRXHIMVSFP-FYYLOGMGSA-N 435.616 4.697 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(F)(F)F 1286763666 PBQNIEOCTBNSHF-UHFFFAOYSA-N 442.445 4.726 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(Br)s2)C1 1286800566 MYWQKVGDGUIKPC-GJZGRUSLSA-N 439.423 4.640 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@@H]2c2ncc(-c3cccc(OC)c3)[nH]2)cc(OC)c1OC 1294365563 REZRRGPCAAXFGW-JOCHJYFZSA-N 447.535 4.808 30 10 IJEE C=C(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 1296711561 PBSNPHNVMXSAIC-UHFFFAOYSA-N 433.744 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H](C)N1CCCCC1 1300284397 RHHCSGRDLBNQTN-AABGKKOBSA-N 439.673 4.854 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1300348379 JYSDWDQIJBTSBW-UHFFFAOYSA-N 430.600 4.733 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1300384965 XDKUEXJRXLWBCD-GOSISDBHSA-N 436.535 4.520 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1CCC(F)(F)CC1 1300556636 KQRKABOPLHKVJF-SFHVURJKSA-N 444.501 4.846 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1cnc(C)s1 1300877917 YFGSHPLXCPCNOW-UNMCSNQZSA-N 437.613 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC(C)C)C(C)C 1300884908 MUDKYWXMEYLDBO-OIBXWCBGSA-N 440.588 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCCc1ccccc1 1300890867 IHUVAELZBFMHBO-ISKFKSNPSA-N 436.625 4.981 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1 1300982192 CWZPSTKHEWLUAL-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H]2CC)CC1 1301063982 LYBYGFNXKUUBFY-UXHICEINSA-N 442.007 4.844 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(C)CCCO2)CC1 1301070152 MHHKHURYJNTFPC-FQEVSTJZSA-N 435.341 4.572 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCOC(F)(F)F)CC1 1301106134 QMZYKTMJJBVMAC-HNNXBMFYSA-N 442.457 4.886 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCCCC2)CC1 1301109183 GUZCKYQHZRRKCO-UHFFFAOYSA-N 445.405 4.805 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCCC)CC1 1301120539 VLAOWIQLUWMXBB-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301175767 HRGSVWQTVADOOZ-UHFFFAOYSA-N 440.979 4.573 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301176552 DDCBQKGNAOCYTE-VXKWHMMOSA-N 435.616 4.846 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1301246628 VCJROXHRGLXOKV-SFHVURJKSA-N 448.970 4.583 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C)cc1C 1301294811 SOKAYQDMVFMPRM-UHFFFAOYSA-N 439.604 4.680 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)C[C@@H](C)C2)cc1 1301527115 UOYHQYQJILWQED-QZTJIDSGSA-N 437.613 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCc2nc(C(C)(C)C)cs2)C1 1301566535 OZFFQMHBOWTWSL-IBGZPJMESA-N 443.661 4.789 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCC[C@H](C)C1 1304530381 GUCAYFNUNBHPED-FQEVSTJZSA-N 434.632 4.894 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@H]3CCCCN(Cc4ccccc4)C3)c2c1 1307134662 CGFOZJKAAYXESJ-HXUWFJFHSA-N 430.552 4.838 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1C#N 1310781119 DLDYEZSEQPHNLT-UHFFFAOYSA-N 428.533 4.939 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 1312308641 GMYIYGIDVFOIHP-AEFFLSMTSA-N 448.514 4.806 30 10 IJEE C=CCCCCCCNC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1312392813 LOWHMVMCGUDHCV-IBGZPJMESA-N 425.495 4.632 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1312941690 HFECMKUVSXSJNO-QFBILLFUSA-N 437.943 4.632 30 10 IJEE C#CCO[C@H](C)C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1350907025 ACAOKOHZGCVYMD-HIFRSBDPSA-N 439.364 4.667 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC(C)C)cc1 1358899549 PJSVGSMMZUFPIW-WWPVKYPJSA-N 438.616 4.738 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1358907117 DCBSCRPOHPFCOT-UHFFFAOYSA-N 435.547 4.501 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C2CCCC2)CC1 1358907255 JJUNBUPLCDSJKX-UHFFFAOYSA-N 443.998 4.996 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2C)CC1 1358917867 DJNBGXNBHIZEQV-ISKFKSNPSA-N 449.643 4.635 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC2(CCCCC2)O1 1359004387 UUQXJIQNJYHAPI-IBGZPJMESA-N 442.991 4.949 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCCCC1 1359050469 ROVUJPOESMWBPZ-UHFFFAOYSA-N 437.382 4.594 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1359131254 MZIXMQPUZCRJEA-LJQANCHMSA-N 439.629 4.751 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2cccc(C)n2)CC1 1359160717 AVCNWARBKPDPNW-UHFFFAOYSA-N 425.483 4.649 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCCC[C@@H]2CC)CC1 1359169073 SRUWLXSTXWXJSQ-QHCPKHFHSA-N 437.632 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)OC)CC1 1359185020 IXRVSXURWQWGPP-UHFFFAOYSA-N 434.943 4.729 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1359194214 RAGMRTBERSWKEG-QFIPXVFZSA-N 435.616 4.600 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359212182 CYQPWKWBDZSZBD-KRWDZBQOSA-N 429.996 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1CCOCC1 1359278797 HLWBNRNCMLWUQZ-SFHVURJKSA-N 444.645 4.587 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OC)C1 1359337690 XYOPWLRAMPAXLL-LPHOPBHVSA-N 437.009 4.606 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1359340262 HNHJXYDDPLNDFD-GOSISDBHSA-N 440.642 4.717 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359344740 HKOPDGRNLAGABU-UHFFFAOYSA-N 447.599 4.535 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)O[C@@H](c2ccc(Br)cc2)C(F)(F)F)c1 1361156858 HMTZFMNIVBJJKV-INIZCTEOSA-N 427.220 4.847 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)C(F)(F)c1ccc(Br)cc1 1434920259 LXTNXHRCGUZRIY-UHFFFAOYSA-N 430.252 4.676 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(COC3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1456657979 IFDRBTSGOLHUCH-VWLOTQADSA-N 426.557 4.877 30 10 IJEE C=CCOc1ccc(OC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1456886152 VUWJOBOXJIIQHN-PGRDOPGGSA-N 431.891 4.948 30 10 IJEE C=CCn1c(SCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1cccc(OC)c1 1458983414 WMMTZXLOVSJXGL-KRWDZBQOSA-N 444.601 4.879 30 10 IJEE C=CCOc1cccc(NC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c1 1465381698 RXOKULFAYAAWAM-UHFFFAOYSA-N 444.373 4.800 30 10 IJEE C[C@@H](NC(=O)c1c[nH]c2cc(F)c(F)cc2c1=O)c1ccc(-c2cccc(C#N)c2)cc1 1466800719 GPJJWOQQWKQSGX-CQSZACIVSA-N 429.426 4.836 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1467564214 XAHMMTDEMOMCGF-HNNXBMFYSA-N 426.460 4.591 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)c1ccccc1 1468145397 LYWBYNUIAXDMBV-OXQOHEQNSA-N 434.349 4.605 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCCCCC3)[C@H]2c2ccccc2)c1 1471198942 PTCDDNOYLIPTNV-HSZRJFAPSA-N 438.593 4.689 30 10 IJEE C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C(C)C 1472922742 ACSHMSRPMHPZRY-INIZCTEOSA-N 438.984 4.941 30 10 IJEE Cc1ccccc1-n1nc(C)c(CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1C 1473123299 FAZNBFISRUDWJZ-UHFFFAOYSA-N 435.959 4.783 30 10 IJEE N#Cc1ccc(N2CCN(Cc3noc(-c4cccc(Cl)c4Cl)n3)CC2)c(Cl)c1 1473429164 AECHMWNEYSUZHD-UHFFFAOYSA-N 448.741 4.891 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 1474922504 BFUNRBWFNLQCNK-UHFFFAOYSA-N 425.428 4.681 30 10 IJEE C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC)c1ccc(Cl)cc1F 1478899101 AUUHSATYOWMHJO-LPHOPBHVSA-N 437.943 4.584 30 10 IJEE CC[C@@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC(=O)NC1CCCCC1 1495232172 AVUXCIQZBXVNDL-LJQANCHMSA-N 448.615 4.671 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)CC)CC1 1499441662 FKWSTKAUPHLAHX-GGAORHGYSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1507526046 AFDTUFAVIRBACR-KRWDZBQOSA-N 446.624 4.891 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507556697 CPENXCKEBXDPTR-HXUWFJFHSA-N 448.571 4.648 30 10 IJEE C#CCCCCn1c(N(CC(C)C)C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507574736 QQEJTTGZEFSHEU-BGYRXZFFSA-N 431.625 4.723 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1Cc1cccs1 1507592067 VOUOWGFIIMFYEY-QGZVFWFLSA-N 426.536 4.834 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cc(Br)cs1 1507644064 BOKMYUFISQOFPY-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCc1sccc1C 1507682857 XJCGMWBVCDZVKM-UHFFFAOYSA-N 447.377 4.919 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507746634 DXCXNKODQLXYDY-UHFFFAOYSA-N 448.436 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1507806059 OBENYNDMBGIRLB-KPLVRAHFSA-N 439.560 4.850 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(CC(C)C)C(C)C 1507837405 OKHICNLDWHKUMU-UHFFFAOYSA-N 438.414 4.510 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(OCC)CCCC2)CC1 1507909439 FPJCBKPNDAQXOQ-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CC1(SC)CCN(C)CC1 1508001459 RQTQXRZTTOOHCE-HXUWFJFHSA-N 427.662 4.812 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1sccc1C 1508009012 UBDXEXYAFUDCNT-IBGZPJMESA-N 426.561 4.922 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1508071154 UGXMIKCUKGROIT-SFHVURJKSA-N 444.988 4.898 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2(C)CCC2)C1 1508113473 YSJVEEACULSITI-INIZCTEOSA-N 431.378 4.679 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(Cl)s1 1518430303 CFFSIWNBLUAUPT-UHFFFAOYSA-N 427.961 4.651 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1 1520906116 XOPGDWLUBAHXOD-UHFFFAOYSA-N 425.351 4.777 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CCCN1C(=O)OC(C)(C)C 1521070237 JPFXXLXLNWGEAW-QFIPXVFZSA-N 446.548 4.552 30 10 IJEE C=CCOc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1 1521898642 ZCEBOLLGQXIJLZ-HXUWFJFHSA-N 434.319 4.906 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)c1 1527974940 KTQHBFACDPYRES-LJQANCHMSA-N 430.529 4.569 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)s1 1532257817 GSDXSPGPVIHWJH-INIZCTEOSA-N 444.956 4.717 30 10 IJEE O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cc(OC(F)F)cc(OC(F)F)c1 1534046359 HTBROGRDWQPPKC-UHFFFAOYSA-N 441.299 4.761 30 10 IJEE C=CCC1(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCCCC1 1534269301 ZQGLBJVCACGONC-NJNXFGOHSA-N 431.602 4.745 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)c2ccc3ccc(Br)cc3c2)CC1 1534379581 HTCRZNPTSNEIPQ-UHFFFAOYSA-N 434.337 4.873 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cc2ccn(CC(F)(F)F)n2)c1 1538064362 HKZIZHIUNZRWGY-UHFFFAOYSA-N 432.833 4.746 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@](C)(O)c1ccc(F)c(Br)c1 1538509399 LYOJMENJFBWFOX-QGZVFWFLSA-N 432.742 4.725 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCSCC 1539032174 UJWVKEINKRHHIZ-AWEZNQCLSA-N 427.401 4.765 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539531569 XGSIPUWPNBWNNM-JPYJTQIMSA-N 442.654 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(OCC(F)(F)F)cc1 1539660066 RBXZSVDYHJZKKB-UHFFFAOYSA-N 433.478 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1539674540 YWUCIZISVLEBIY-RTWAWAEBSA-N 434.632 4.873 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539786835 BZFYMJDGPMCTAQ-OAHLLOKOSA-N 444.885 4.884 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1539824236 QAOFTTGMICRIIL-NXEZDXNNSA-N 447.838 4.969 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC[C@H](OC)C(F)(F)F)CC1 1539832739 XXZVBLNWCYHSLB-FQEVSTJZSA-N 445.489 4.926 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1539929020 LNXWNBYHMWQCSW-IBGZPJMESA-N 426.561 4.530 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1539971520 JDBDKUFTEKEJAY-FQEVSTJZSA-N 431.625 4.718 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC(C(C)(C)C)C2)C1 1540885065 AWJDACIMGZFFOH-UUKMXZOPSA-N 425.533 4.632 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1540907831 KDIPBKGHUDZYPC-JXFKEZNVSA-N 427.618 4.691 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCOC2(CCCCCC2)C1 1540910686 MAWARRZLIWVVLR-UHFFFAOYSA-N 442.629 4.803 30 10 IJEE CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H](COC)Cc1ccccc1 1543459235 DVPAMOLBNYYGHW-VWLOTQADSA-N 428.532 4.857 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)c2ccc(OC)cc2)nc2sc3c(c2c1=O)CCC3 1559328444 BFCJCTICIRAUGO-QGZVFWFLSA-N 440.590 4.895 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCN([C@@H](C#N)c2ccccc2)CC1 1559613562 BIBVMVGCPKPMST-BWKNWUBXSA-N 440.547 4.688 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 1559850687 LVFDVHMVSKLMBA-NOZRDPDXSA-N 444.579 4.726 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2ccc(F)c(Br)c2C1 1560020787 MVBMOKPQKDKEFY-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE C=CCOc1cccc(NC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)c1 1562255590 JGJBDRFIUHLPEK-UHFFFAOYSA-N 444.373 4.800 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc(C)c(OC)c1 1564123464 CLKJJYKODMUANG-UHFFFAOYSA-N 435.337 4.846 30 10 IJEE C=C[C@H](C)ONC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1565008950 HLWWIAXTSPFCIL-SCLBCKFNSA-N 440.396 4.960 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1566826354 GFPQAJLCFLDDJB-KRWDZBQOSA-N 443.935 4.516 30 10 IJEE Cc1ccc(Oc2ccc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)nc2)cc1 1568490085 DDEVFGCJIBRBEE-XMMPIXPASA-N 446.938 4.858 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)C(C)C 1585128735 KEDWKDDFEVUOBM-FDFHNCONSA-N 435.653 4.665 30 10 IJEE C=C[C@@](C)(O)CC(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1586115517 QNCHGDRQWHVSIA-SIKLNZKXSA-N 432.358 4.923 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CC(=O)N(c3ccc(CCC)cc3)C2)C(F)(F)F)cc1 1587315400 MQQHGZMVCAXYNH-UGKGYDQZSA-N 429.438 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1sccc1Br 1587663262 VZESOCQKLUQGSU-INIZCTEOSA-N 443.414 4.784 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1588020694 SOQFLDMZDWCHNP-SFHVURJKSA-N 446.064 4.804 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCCC1CCOCC1 1588253782 DXZZDPICUINFBQ-UHFFFAOYSA-N 436.625 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C)CC1 1589493763 IVPQQPVPFZTGHC-IPJJNNNSSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCC)CC1CC1 1589578984 JEBAWZCAPXFGFL-YUMYIRISSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1Cc1ccc(OCC(F)(F)F)nc1 1589626138 SSCCYMQSTWMIMU-UHFFFAOYSA-N 431.462 4.732 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1594241339 NEONILNTNXELDM-QFIPXVFZSA-N 430.040 4.901 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC23CC3)ccc1Cl 1596269149 DVEXQGHRTSINDE-NRFANRHFSA-N 444.984 4.784 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCCCCC2)c1 1598290978 JNBZDXVRIARNEV-QHCPKHFHSA-N 443.632 4.928 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 1607672787 BSKAACSVXVJMHO-XJKSGUPXSA-N 442.025 4.652 30 10 IJEE C=CCn1c(SCc2cc(CO)ccc2F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1613104365 DTFKBYNJSINIBO-CYBMUJFWSA-N 430.570 4.693 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1616681292 HFKKFFMMMGHZPU-FQEVSTJZSA-N 443.588 4.505 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1 1617686877 AHTFKLHYYWGILJ-UWJYYQICSA-N 437.540 4.883 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 1618705248 GXDKEVUWQXYUGK-FQEVSTJZSA-N 434.392 4.885 30 10 IJEE C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(F)c2ccccc12 1622201799 HUMAMSOAZVRMTP-GFCCVEGCSA-N 433.302 4.653 30 10 IJEE C=CC[C@@H](C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1 1625524242 RIUXVPSIZPHHBY-MUUNZHRXSA-N 439.603 4.985 30 10 IJEE C=C(C)COc1cccc(NC(=O)CCC(=O)c2ccc(I)cc2)c1 1626789343 BKXJFRIMQZASHC-UHFFFAOYSA-N 449.288 4.848 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(CC)(CC)c2ccc(Cl)cc2)c1 1627509171 DTQPPHLFHKVUNB-UHFFFAOYSA-N 431.985 4.625 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(O)ncc1Br 1627878917 DPVQJOKMDMYSNO-UHFFFAOYSA-N 438.281 4.561 30 10 IJEE C#C[C@H](NC(=O)c1c[nH]c2cccc(Br)c12)c1ccc(Br)cc1 1628543725 YFKUQFJRNNVMNA-HNNXBMFYSA-N 432.115 4.797 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cc(F)c(C#N)c(F)c1 1631521934 BNCGNKBBLOWYIB-KRWDZBQOSA-N 437.412 4.986 30 10 IJEE C=CC1(CC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)CN(C(=O)OC(C)(C)C)C1 1634266171 BCHGSQZRPOHMKP-UHFFFAOYSA-N 448.585 4.555 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1 1634530111 LUNHQYBVPAXXTL-NOZRDPDXSA-N 440.499 4.642 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1636098354 GQBRYRUCAKIOAV-PXDATVDWSA-N 427.589 4.606 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)cnn1Cc1ccccc1F 1639143038 ZAHNLNKCPMTIRD-IBGZPJMESA-N 430.524 4.567 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1 1640735521 WUHHLVIMHWNHSV-UHFFFAOYSA-N 438.512 4.719 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)Cc1cn(C)c2ccccc12 1642271833 KOJDHADQDUAXDA-MJGOQNOKSA-N 433.980 4.652 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCc1csc(=Nc2ccc(OC)cc2)n1Cc1ccccc1 1643150233 CUFWJOOYBDSZJR-RPWUZVMVSA-N 435.593 4.662 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCCCCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643337922 HPTXFFIIUNPWCD-HUUCEWRRSA-N 433.643 4.556 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(Br)c1F 1646431858 SBBZGTMLXXUZQZ-ZDUSSCGKSA-N 433.293 4.915 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21 1651405106 PYJDSDJKIDWGKQ-PWIZWCRZSA-N 447.170 4.652 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(Cc2ccc(Cl)c(Br)c2)CC1 1657165470 AIIKPRSPUOEQFK-UHFFFAOYSA-N 441.760 4.845 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1667521259 QZOKAKQYNPFDPY-UHFFFAOYSA-N 448.611 4.692 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1668911980 SBFVRLDOQVGZHA-ZJSXRUAMSA-N 440.609 4.937 30 10 IJEE C#Cc1cccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1 1672561217 QLBQWKITZAJIGV-FCHUYYIVSA-N 437.515 4.722 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cccc(-c3nnsc3Cl)c2)cc(OC)c1OC 1679471812 HPMSJELVJHQNCP-UHFFFAOYSA-N 444.944 4.926 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C 1681199851 GYJOITWGFWQLTD-OAQYLSRUSA-N 431.577 4.886 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCC1(C)C 1681894237 AKOLIUMHZBNQRC-HXUWFJFHSA-N 439.522 4.818 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2ccnc(F)c2)CC1)c1ccc(C(F)(F)F)cc1 1685817884 ZKBBQJRSTNUPIG-LJQANCHMSA-N 436.453 4.779 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1F 1686922151 BPFWZHSSMKCVEN-SFHVURJKSA-N 428.813 4.936 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(Cl)nc2C1 1689907664 HDMRZUMDPWDCLH-WIYYLYMNSA-N 442.007 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1690208063 WSOAAZWDBJIREJ-XMMPIXPASA-N 435.572 4.555 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 1690352464 FKNMZQGPVTZTAU-UHFFFAOYSA-N 432.355 4.911 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1690460201 CHSPOWGRHNEOBD-IBGZPJMESA-N 438.601 4.528 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(C)C)CC1 1690466938 GVSNMEREHPVSCU-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](CCC)C1 1690492639 YDAQIUVZPLWTFN-IBGZPJMESA-N 449.393 4.591 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCS1 1690609502 QNQTUMVALFIMND-PWRODBHTSA-N 444.645 4.920 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCCC2(F)F)C1 1690688219 QTLFFVUGFSDFQK-QUCCMNQESA-N 432.515 4.561 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1690705932 FRFRFJNSFBEFIR-UYAOXDASSA-N 440.485 4.879 30 10 IJEE CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)OCCc2sccc21 1695207195 BGQVDUUNGHTRAS-DEOSSOPVSA-N 435.597 4.993 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)C)CC1)C(C)(C)C 1698347251 GOVCRSJQHISZGE-OAQYLSRUSA-N 440.661 4.561 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[C@H]2CCCCO2)c1 1698485753 BZMXWMSKMBWMNR-LJQANCHMSA-N 433.478 4.555 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1705537732 PHNWFPPWLRHIBZ-HXUWFJFHSA-N 444.048 4.702 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1C[C@@H](C)O[C@H](C)C1 1705608101 DZNIMLWHOJZIMO-WOJBJXKFSA-N 448.567 4.780 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cccs1 1705682546 DHPIYKMJNUMPGW-UHFFFAOYSA-N 449.374 4.569 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1705734014 AKIJGUNUMRIWAY-UHFFFAOYSA-N 449.452 4.727 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1705796405 DUHXUWGHYMFUFS-GMAHTHKFSA-N 437.632 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1705802835 XENIIZORTQFQFL-XMMPIXPASA-N 448.558 4.836 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCOC(C)(C)C)C1CC1 1705852241 XPIPQFIBHWDMEN-UHFFFAOYSA-N 437.357 4.817 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)Cc1cccs1 1706077024 FPKSHASJPYZFND-ZWKOTPCHSA-N 432.597 4.886 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)C[C@H](C2CC2)O1 1708233995 FNADFDOEHGGZMY-XMSQKQJNSA-N 437.588 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)SC 1722395134 ROLDZLCOHOBEBG-UHFFFAOYSA-N 449.649 4.982 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1722488811 JPSCSYBFEIEOKQ-GOSISDBHSA-N 445.405 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1SC 1722495387 HJLPCPVHTJJGKE-DENIHFKCSA-N 435.597 4.680 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(CCOC)Cc1ccco1 1722518935 WNUGJNIXKQMECK-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(Cl)cc2)CC1 1722560813 JLVTYRQCRNZJER-UHFFFAOYSA-N 446.780 4.904 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1722568231 DPJYTFFREOPJCK-DEOSSOPVSA-N 437.632 4.751 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccoc1 1722611374 INHGZDFAEPYTFF-UHFFFAOYSA-N 431.334 4.912 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C1CC1 1722631387 MAEXRVFYNZHGPJ-QZTJIDSGSA-N 432.012 4.793 30 10 IJEE C=CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=C)Br)C1CC1 1722650140 PKSVXBGMULHCME-UHFFFAOYSA-N 426.318 4.664 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1722664340 XAARZJSOJFPTJR-UHFFFAOYSA-N 443.661 4.912 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](CCC)C1 1740568787 PMNVDLODQYFJHF-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1740655265 CMOYCFZWOLWUPT-JWQCQUIFSA-N 430.596 4.875 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCCC 1740677536 MMQQZJVSHUTENO-UHFFFAOYSA-N 430.325 4.615 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(F)(F)F)C1 1740714358 WEOPSYSUSSFIOW-AWEZNQCLSA-N 428.911 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1Cc1nc(C(C)C)cs1 1740735209 WZWODULHNTUAKL-XMMPIXPASA-N 435.597 4.786 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[C@@H](C)C2)CC1 1740830152 XTFUMZCWZIEDCT-AABGKKOBSA-N 429.609 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@@](C)(CC)O1 1740924505 UTPFXQKABHOXSF-HYBUGGRVSA-N 437.613 4.866 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1oc(CC)nc1C 1740935943 BWGUUSKYRWVEQR-UHFFFAOYSA-N 442.523 4.552 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCOC2(CCCCCC2)C1 1740944421 HUWYXDUREZVTHB-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1744936030 GIGYFWPQLSLFPF-UHFFFAOYSA-N 448.571 4.795 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(F)cc(OC)c1 1748651031 HQMIPLURVLJDKK-MRXNPFEDSA-N 438.572 4.929 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1748856100 SAJOLGIZSPUWKC-KCWPFWIISA-N 448.611 4.575 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@H]1CC 1748907892 PEQIOUQLOZYAFM-PZJWPPBQSA-N 444.023 4.796 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1749044739 SYMJDDGVUSEWIO-NRFANRHFSA-N 438.622 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCOCCC(C)C 1749056932 ZFXNMAXXMBLABV-HSZRJFAPSA-N 432.515 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1749136960 VHLPDJTVZVKQOJ-MSYCTHLASA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ncccc1C 1749146477 FFRIRPUBNUXINN-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1749146734 LPRNFBGZJFGRII-UHFFFAOYSA-N 447.974 4.938 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccnc(SC)c2)CC1 1749312177 DSHXDLADMICBNK-UHFFFAOYSA-N 435.597 4.796 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1749384574 DGTOZYRNDDJOEZ-DNQXCXABSA-N 437.632 4.800 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncnn1C(C)(C)C 1749563429 GWRITYAMTQOIAJ-UHFFFAOYSA-N 433.604 4.816 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC1CC2(CCOCC2)C1 1749576269 GKNVXTYOVQNHPE-UHFFFAOYSA-N 426.992 4.908 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCSC1 1749591559 VCGVMMVBZCJIIX-LJQANCHMSA-N 426.561 4.589 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1 1749684041 ODPLKMYXNYJCDP-GOSISDBHSA-N 443.473 4.732 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1749747027 SMVLNRDDRJBSIX-DYESRHJHSA-N 442.560 4.871 30 10 IJEE CC(C)(C)c1nc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1751276968 GRKJTHLOJFSKLS-JPYJTQIMSA-N 442.633 4.646 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)[C@H](C)CC 1760099786 LRNWIXHBUUERDL-WOJBJXKFSA-N 432.616 4.541 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1sccc1C 1760194820 RBJHSDYHEZOJKC-GOSISDBHSA-N 438.984 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760227108 VIXYEGNROAOXAV-KOSHJBKYSA-N 445.558 4.517 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccsc1Br 1760229516 UUMVYYKUXOUQRU-UHFFFAOYSA-N 429.387 4.839 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCCN1CCCC 1760230995 RILBOPJTSQTMHM-QFIPXVFZSA-N 430.600 4.607 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(F)c1 1760345610 JKODHHCNRQGXKY-LJQANCHMSA-N 443.567 4.744 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(Cl)ccc2OC)CC1 1760403021 CPPDCGISQBPYLY-UHFFFAOYSA-N 444.004 4.747 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1760418735 XHXTUYHJOOARDI-FCHUYYIVSA-N 439.604 4.782 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccncc1Cl 1760455887 BVGLQLDQSLPPQU-MRXNPFEDSA-N 427.936 4.536 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@](C)(C#N)C1 1760561204 TWSGAPSONVFSQO-NRFANRHFSA-N 433.528 4.596 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1760562972 BFIPVXGAMPZZOH-HFSMHLIXSA-N 442.629 4.896 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1CCc1nc2c(s1)CCCC2 1767063515 DUXGBNFXXKUJLW-UHFFFAOYSA-N 448.640 4.953 30 10 IJEE C=CCN1C(=O)/C(=C(/C)c2ccc(Br)cc2)SC1=Nc1nnc(C)s1 1772737085 KZCTTWWLIRDNLO-JLQRMEIYSA-N 435.372 4.789 30 10 IJEE O=C1Nc2ccccc2/C1=C1/SC(=Nc2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 1772738674 XDXCLDRKLUAOPQ-KHYBBADZSA-N 441.468 4.516 30 10 IJEE COc1cc(C=NN=C2NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)S2)ccc1OC(C)C 1772742172 DQAGSNQBBUYVEU-JOCHJYFZSA-N 439.581 4.770 30 10 IJEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)COc2ccccc2Cl)cc1 1858903338 YAADPAQOAPGZRC-UHFFFAOYSA-N 435.867 4.518 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12 1861384426 KPDCFBPKEDJCFO-VWLOTQADSA-N 433.596 4.915 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862444042 WRJKGMGPPTVPEC-FQEVSTJZSA-N 439.920 4.928 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862497641 PHZIKXMVEBBFFW-QHCPKHFHSA-N 435.520 4.864 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2)cc1 1862554584 GMYOJJYKYUHMHJ-HJPURHCSSA-N 428.488 4.617 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)cc1 1862591820 OYVQALXQLAFNIL-NRFANRHFSA-N 443.927 4.831 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC)cc1OCC 1862601987 RPCHWJXUJGDKPW-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(OC)cc2)cc1 1862689563 TVLAVFNOEODTCE-YTJPUZGESA-N 435.520 4.861 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(F)c2)c1 1862702643 IKVJWUGBUICNGP-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCO)cc1 1862714732 NCMNFSSZHUURHA-XMMPIXPASA-N 429.516 4.924 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(OC)cc2OC)C1=O 1863753805 SCRBRMAPJRDKSQ-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)Cc2ccc(Cl)cc2)cc1 1870147497 SKXNJVLHJQUYFE-UHFFFAOYSA-N 427.895 4.949 30 10 IJEE COc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)c1 1871253548 AZSBLFGWMPLKEC-UHFFFAOYSA-N 441.487 4.561 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1)C3=O)CN(CCCn1ccnc1)CO2 1871354987 LTKJMAKAOIGDRS-NHDPSOOVSA-N 435.911 4.703 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)NC4CCCCC4)ccc3C2=O)c2ccccc21 1871437876 FXPKKYNGUQZNBR-CFRMEGHHSA-N 430.504 4.622 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 1871440630 YVPCKSXTBHBRMQ-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2c[nH]c3ccccc23)nc(Nc2ccc(C)cc2)[nH]1 1871475829 OUFCOZYLRGWIAA-UHFFFAOYSA-N 439.567 4.660 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)[nH]c(=Nc2ccccc2CC)[nH]1 1871557864 HSOPYFIYJDYXKW-UHFFFAOYSA-N 442.611 4.635 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871996940 IGHGQNBZQLILLZ-OFNKIYASSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872070033 KSQUNAPKFXKMME-QFIPXVFZSA-N 432.561 4.735 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)CC1=O 1873005940 XJDBODKLHFLHOE-OFNKIYASSA-N 438.616 4.836 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)c1 1874310516 ZNPXTEMBIVVZME-YZSQISJMSA-N 429.549 4.641 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(OC)c(OC)c1 1874324540 FDGQMLCXVFKPKM-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCc1ccccc1 1874412190 GWBHYMDMZSLDCV-OEAKJJBVSA-N 434.546 4.803 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(OC)c2)cc1 1874511974 URHPMVUIOBGFJA-ZVHZXABRSA-N 437.569 4.586 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(Cl)cc2)cc1OCC 1874564971 ZPARSZLDYWHKDM-OEAKJJBVSA-N 430.961 4.881 30 10 IJEE CCN(CC)C(=O)COc1c(OC)ccc(/C=C/C(=O)c2ccccc2)c1Br 1874595419 KIRVDYMAUCUANB-ACCUITESSA-N 446.341 4.601 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cccc(OCC(=O)N(CC)CC)c2)c1 1874599487 OQVJXODMNQXTHK-WYMLVPIESA-N 425.525 4.627 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1874633838 XIIZHZYKDUHEIE-SOFGYWHQSA-N 432.900 4.894 30 10 IJEE COCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2)c(Br)cc1OC 1874702745 HSRQCWFEZOPRGI-CMDGGOBGSA-N 433.298 4.604 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)COC 1875149394 OABCHVBCIDHFKK-KPKJPENVSA-N 441.480 4.739 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912211211 UBERCLSSUPMUJF-HRAATJIYSA-N 436.557 4.901 30 10 IJEE FC(F)(F)[C@H]1CCSC(=NCc2cc(Br)ccc2Br)N1 1918516078 UPSKWXYZOJVKKB-SNVBAGLBSA-N 432.103 4.725 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1922074908 RLSQHFJECZHETL-NFBKMPQASA-N 439.552 4.827 30 10 IJEE C=C1C[C@H]1CNc1cc(Br)c(I)c(Br)c1 1958230227 VWJLSGXZXFLWLS-ZETCQYMHSA-N 442.920 4.804 30 10 IJEE CC(C)(C)OC(=O)NCc1ccsc1C(=O)Nc1ccc(Br)c(C#N)c1 1964760265 CAULEXUFGGBBCR-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1991903844 BRTHCJWQIIJUFX-HOTGVXAUSA-N 429.508 4.703 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C2(C)C)c1 2015048353 ODVSCONFAGDPKA-QHCPKHFHSA-N 431.533 4.728 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H](C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2020316661 DRZHFLHJQSHEEZ-GOSISDBHSA-N 433.593 4.833 30 10 IJEE C=CCC1(NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2020801402 WYDBXKXXDIDPTM-QHCPKHFHSA-N 437.625 4.711 30 10 IJEE C#CC[C@H](C[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2075971095 RLYULAIOESNOCZ-RPWUZVMVSA-N 440.628 4.737 30 10 IJEE CCc1ccc([C@@H](CC)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2078977568 MHLLXGLZVGEBCM-PCQWDSEFSA-N 433.240 4.795 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(F)cc(C(F)(F)F)c3)nc12 2081331074 CMEVEBKSRWPRCH-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE C=CCN(CC[C@H](NCCC)c1c(Br)cnn1CC)C(=O)OC(C)(C)C 2099286581 AKMABCRPGWXPHC-INIZCTEOSA-N 429.403 4.519 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCNc1cc(Br)cc(F)c1C#N)C(F)(F)F 2107441795 GAJRPACWRHETAK-CYBMUJFWSA-N 440.235 4.717 30 10 IJEE C[C@@H](C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2124540067 CHPWIPNXPDLXPA-LSJNQWAISA-N 444.381 4.878 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Nc3cc(Br)c(C#N)cc3F)C[C@H]2C1 2162385329 MURCLVPTUWPBEK-AEGPPILISA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CCN2c1cc(Br)c(C#N)cc1F 2197340407 MQVVAZYBBWECIA-VBKZILBWSA-N 438.341 4.734 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 2235734944 YFQRRZCTQMBVDR-MJKGWSOKSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CSCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2246706757 DBOFWPPYBSLMQN-LJQANCHMSA-N 433.423 4.619 30 10 IJEE CCCN[C@H](C#CC1CCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251410251 ADDCNNASXBEWOJ-DNQXCXABSA-N 427.633 4.574 30 10 IJEE C#CCC[C@H](CNC(=O)OC(C)(C)C)Oc1nc2ccc(Br)cc2s1 2264304814 WQWMJKIGZKKLKH-CYBMUJFWSA-N 425.348 4.744 30 10 IJEE C=CC[C@@]1(COc2nc(C)nc(C)c2Br)CCCN1C(=O)OC(C)(C)C 2272232619 SUCKKVOWFIDDJG-IBGZPJMESA-N 426.355 4.581 30 10 IJEE CC1(C)OB(c2cnc(Nc3cc(F)c(Br)c(Cl)c3)c(F)c2)OC1(C)C 2284366696 MFQWUAPUVAFZGP-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(N)C#Cc1ccccc1Br 2285907807 AKJSKMJURHWWNO-MAMSFEPMSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@H](O)CC#CC1CCCC1 2289901948 VWEOYGMQTQBZDF-WOJBJXKFSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@@H](O)C#Cc2cccc(Br)c2)C12CCC2 2296223126 ZBVNMGDDCVTLJB-NZSAHSFTSA-N 434.374 4.635 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)C=CCN1C(=O)OC(C)(C)C 2296278451 DRKSZOGUJNPDCB-KNQAVFIVSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@H](O)C#Cc3ccc(Br)cc3)ccc21 2296281887 PKCVPZDEDJFIDQ-HXUWFJFHSA-N 428.326 4.832 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 2297747895 YUBAYXRYTXKQTG-MRXNPFEDSA-N 425.535 4.523 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2305320471 VEMUIUXKFXIDRK-STWLZBDKSA-N 428.573 4.698 30 10 IJEE CCN(C[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317347474 XZFVXEWQEKQLOX-TUQDCPSNSA-N 432.370 4.751 30 10 IJEE CCOc1cc(C=Nn2c(Cc3ccccc3)nnc2SC)cc(Cl)c1OCC 2318418131 QJWACNYOKOVVMM-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE OCCCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2320882175 DHGBZWPIMVGKJA-UHFFFAOYSA-N 442.972 4.745 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 2321244970 HNAXQEIDZYHNAS-PMACEKPBSA-N 445.560 4.655 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1OC 2323375189 BHRYBLBUSXBKRS-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 2325724543 RQJCQKCQPPIWJL-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC)c(OC)c1 2326683467 ZSFQUUCYCXWULR-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccncc2)cc1 2328572648 ZLZYMMIXHXPVDL-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330690396 OIYJAEMPJNPQSX-UHFFFAOYSA-N 433.537 4.600 30 10 IJEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2)cc(OC)c1O 2330840867 PEXRRUBAUFWVON-UHFFFAOYSA-N 440.569 4.764 30 10 IJEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1cc(Br)cc(OC)c1O 2330856577 QZFXXVIOEBULSZ-UHFFFAOYSA-N 439.379 4.504 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cncc(C)c1 2331087026 YPBOFHQXNWQUII-UHFFFAOYSA-N 439.414 4.801 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccco2)cc1 2331183660 VYEFSPIVCYITJA-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cccc(OC)c1 2331327569 UKCALBCGJYJHRQ-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1ccccc1Cl 2331345439 KSYPMBHDRFIJEV-UHFFFAOYSA-N 436.025 4.897 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1C(C)C 2331687197 RYAPTVCXMHTOLT-UHFFFAOYSA-N 449.580 4.888 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 2360196110 KCOUTPDNKHYKBC-NMLACTOBSA-N 435.406 4.718 30 10 IJEE N#Cc1ccc(COCc2cc(I)ccc2Br)cc1F 2367286751 ZXDPKRZFDLMUHW-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE Cc1ccccc1NC(=S)N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 6208582 WDSVQKWTDTWWNY-UHFFFAOYSA-N 443.981 4.771 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(N(C)C)cc2)c1 33698671 YYHYHRRTEDZNRK-DEOSSOPVSA-N 441.531 4.543 30 10 IJEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3cccc(C(F)(F)F)c3)S2)c(C)c1 100262234 FKBLCUUSKPGXJU-XWFHWFJUSA-N 435.471 4.912 30 10 IJEE C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nc4c(s3)C[C@H](CCC)CC4)ccc2c1=O 109823955 AJKAEAPFOWTRJC-CYBMUJFWSA-N 440.594 4.859 30 10 IJEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169928674 KOWGCGRDXYQVJD-IBGZPJMESA-N 430.957 4.852 30 10 IJEE CCOc1cc(/C=C2\CN(Cc3ccccc3)CCC2=O)cc(Br)c1OC 169942653 VCTBBQYOTLVNLY-WOJGMQOQSA-N 430.342 4.715 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968017 SADUGSHEGPWCHF-HSZRJFAPSA-N 445.446 4.954 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccncc2)s1 170019723 LBSULGODHJXCMJ-GOSISDBHSA-N 439.924 4.900 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2F)ccc1F 170071410 NTYPMCWIISEUMF-JOCHJYFZSA-N 430.410 4.928 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccco2)cc1 170098435 UQKKXJKNWJWSDR-OAQYLSRUSA-N 427.460 4.810 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170114364 RTAFZWXIJAUQMY-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)ccc1Cl 170188067 AUZARQUHGCTZLH-NRFANRHFSA-N 434.879 4.917 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccnc1 170191207 HJIZMAYQZYIFJX-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 170234941 DLNOXTOCEGINGJ-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 170249683 ROSXWUJYPQVGEH-NRFANRHFSA-N 432.407 4.825 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1c[nH]c2ccccc12 170255966 GTOABDIOHIVDCZ-QHCPKHFHSA-N 448.519 4.954 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1C 170270922 JXXVKPBQCDCXHC-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccc(F)cc1 170314005 OTDYJQCLHUHJQU-LJQANCHMSA-N 437.448 4.707 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)cc1 170428090 FEVXFLYPTRSXHL-LJQANCHMSA-N 433.426 4.835 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(C)c2)cc1OC 170461225 BLVXJARJHYJWQK-JOCHJYFZSA-N 437.536 4.566 30 10 IJEE CCCc1c(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cnn1-c1cccc(C#N)c1 439677606 IJKBILDJFUHROS-MHECFPHRSA-N 429.524 4.690 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cccc4c3OCCC4)cc2Cl)cc1 440716503 YVQNWUPQPCJLHV-UHFFFAOYSA-N 447.878 4.906 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 461690193 CHMHKXIAXFEZQV-XLIONFOSSA-N 435.959 4.574 30 10 IJEE Cn1ccc([C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccc(Cl)cc2)n1 468943898 JQNJPFMAEGUPNY-DEOSSOPVSA-N 433.943 4.858 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)nnc1-c1ccco1 481136866 KDKYLAXIIUFNIY-UHFFFAOYSA-N 435.553 4.621 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cc1Cl 492107219 OPNZVIBVHXHVAP-FUHWJXTLSA-N 431.870 4.628 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508959441 FQAJMNZCQPCDKU-LJQANCHMSA-N 436.560 4.550 30 10 IJEE CN(C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C1Cc2ccccc2C1 516730362 FBYOQYBNMVWHFW-HSZRJFAPSA-N 443.934 4.560 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c(OC)c1 526521102 KZFAXHZZXHYOOM-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)c(O)c2)c1 526603567 FOBAZQQLZAARFI-DEOSSOPVSA-N 442.471 4.815 30 10 IJEE N#Cc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 586194303 FTJLOTDCKPZLSY-UHFFFAOYSA-N 427.323 4.716 30 10 IJEE C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 591773706 SDPXHIKHBHHGIG-GFCCVEGCSA-N 440.550 4.704 30 10 IJEE CC1(C)OB(c2cnc(-c3ccccc3C(F)(F)F)c(Br)c2)OC1(C)C 607717975 VFMZNIBEDUNJPU-UHFFFAOYSA-N 428.057 4.829 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 670210321 KFWYGBCQOGVXBU-QGZVFWFLSA-N 443.642 4.838 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 670232015 YXNWBDZJZVAALN-GOSISDBHSA-N 438.494 4.953 30 10 IJEE C=C([C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(F)(F)F 693673924 XAPUGUUSKBUWEY-DENIHFKCSA-N 441.538 4.643 30 10 IJEE C[C@]1(Cn2c(-c3ccc4nc(O)oc4c3)csc2=Nc2ccccc2C#N)CCOC1 733075683 UOBLJRVPIRJSQH-HSZRJFAPSA-N 432.505 4.594 30 10 IJEE C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(N2CCCC2=O)cc1 734320970 OXQYQENRMGOVMS-IBGZPJMESA-N 439.515 4.755 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cc2sc(N3CCCC3)nc2s1 796313422 KAKSLVNVGZUPRC-UHFFFAOYSA-N 433.942 4.871 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](c2cccc(C)c2)C1 802583563 XHSWFDQUOXQYOV-QHCPKHFHSA-N 445.567 4.583 30 10 IJEE Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1C(=O)O 1084477478 VCENUJFHGQOQEH-UDWIEESQSA-N 435.480 4.823 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CCCN(c3ccccc3F)CC2)c1=S 1120555734 CADBNFODEPHPJV-UHFFFAOYSA-N 437.588 4.884 30 10 IJEE C#CCO[C@@H](C)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)c(C)oc2c1C 1125003688 KENFLWSAEKELIF-HNNXBMFYSA-N 426.852 4.799 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)c(OC)c1 1126410460 KOQJNOSFALLNMS-NRFANRHFSA-N 439.552 4.521 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2nc(-c3c(F)cccc3F)cs2)c(OC)c1 1127872977 RYKXJMJXKSSOAF-UHFFFAOYSA-N 431.460 4.948 30 10 IJEE C=CCOc1ccc(CNC(=O)C2C[C@@H]3CCC[C@H](C2)C3NC(=O)OC(C)(C)C)cc1 1128761103 BQZYGKFZIBTTAW-SYURHXKASA-N 428.573 4.587 30 10 IJEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4Cl)CCCC3)C2)nc1 1129456933 BUFYZDOZKVTMCC-QGZVFWFLSA-N 430.335 4.752 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1cc2sc(Nc3ccccc3)nc2s1 1136510006 JMOFCZADXZEEOA-UHFFFAOYSA-N 432.530 4.717 30 10 IJEE Cc1c(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1137136927 FZKDDDBARWBEFK-KBXCAEBGSA-N 427.570 4.847 30 10 IJEE N#Cc1ccc(N2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c(F)c1 1167285982 DNLASYYYJOBYOF-UHFFFAOYSA-N 430.405 4.693 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)C[C@@H](O)c2cccs2)cc1OC 1178374558 SLEDZDCATNEPPY-CZUORRHYSA-N 426.376 4.686 30 10 IJEE C=CCn1c(SCc2nc(CC(C)C)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1187948411 PXFPYBTXVBOZLJ-CYBMUJFWSA-N 430.599 4.643 30 10 IJEE N#C[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1196102547 ABKGWTIBUBUYEQ-MRXNPFEDSA-N 435.325 4.678 30 10 IJEE COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2cc(C#N)ccc2C)c1 1211229476 BWKFGCYJFOBZKH-UKILVPOCSA-N 432.545 4.795 30 10 IJEE CCN(C[C@@H]1CCN(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)C1)CC(F)(F)F 1220258695 GJYSPWYMTGIVAL-GUYCJALGSA-N 443.407 4.519 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1252449138 NNMGVSIKGIWWOK-LSTHTHJFSA-N 433.980 4.739 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1254996542 VPFJFZQAUPOEQF-HZPDHXFCSA-N 435.531 4.714 30 10 IJEE C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1ccc(Cl)cc1Cl 1270896592 FZPNEPJSFCZTQR-SNVBAGLBSA-N 428.113 4.884 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@](C)(Cc2ccccc2)C2CC2)nnc1-c1ccco1 1276176577 FHWHLIJAUQTYBN-DEOSSOPVSA-N 436.581 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@@H](C)C[C@H](C)C1 1286275996 QHNWEHZVCKOWEJ-ONTIZHBOSA-N 444.627 4.628 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(c2ccncc2)CC1 1286279897 YDKNIUOEWUIDDB-PXDATVDWSA-N 442.611 4.590 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OCC(C)C)C1 1286340376 ZFLQGJLHWTULOA-QGZVFWFLSA-N 449.368 4.511 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286344347 PKOYNVGJPWTSAD-IBGZPJMESA-N 439.922 4.594 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1286354290 KRAVMLJZKLXGNY-JOCHJYFZSA-N 438.572 4.669 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCC1(F)F 1286399582 JMGHEMKAZXWKBC-ZWKOTPCHSA-N 446.929 4.970 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(C)cs1 1286512789 XUEFYMGQUJWSRS-UHFFFAOYSA-N 440.638 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CC 1286552353 QDLHMECAROGXDU-MJGOQNOKSA-N 433.394 4.843 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)C(C)C)CC1 1286653920 FNRAHWBBYZMTNI-IBGZPJMESA-N 433.394 4.781 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC=C(COC)CC1 1286666648 CTPXJHHJCLYOKO-SFHVURJKSA-N 428.552 4.942 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1286678543 ZBNKJWLUGCQJFR-GMAHTHKFSA-N 433.600 4.895 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1C(C)(C)C)c1ccccc1 1286681542 ORGCPQDMDNIYLE-NRFANRHFSA-N 448.590 4.796 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1286684314 GNMMFADJKLLTMZ-UHFFFAOYSA-N 442.608 4.855 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CCc1ccncc1 1287605038 CQEBLQNJAOBQPR-UHFFFAOYSA-N 427.556 4.830 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(F)c(Cl)c(C(=O)OC)c2)CCCN1C(=O)OC(C)(C)C 1289696108 KDZYFFSXHJSXGY-NRFANRHFSA-N 440.899 4.550 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)C 1290068841 XTIAPWNGAVTVDQ-QFIPXVFZSA-N 426.944 4.809 30 10 IJEE C=C(CC(C)C)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1292523919 MTLKIYSQDUPRPW-FQEVSTJZSA-N 430.545 4.784 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1 1293357952 BSXRCRFZMYDWKD-PMACEKPBSA-N 425.552 4.953 30 10 IJEE C#C[C@H](NC(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1297149963 DKTRNWNZPHSWOR-DQEYMECFSA-N 432.564 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccnc1OCCC 1300285268 ZNNBJSQKEAMRGE-QZTJIDSGSA-N 449.624 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCCN1CCCC[C@H]1C 1300321715 NCTZXXHGIVENNP-XZOQPEGZSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](OC)C1 1300341321 FUPAEWSBWVWUPH-QHCPKHFHSA-N 431.584 4.771 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1300348109 JFAXOPSRMLJUIO-SJORKVTESA-N 434.415 4.974 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)CN1CCCCC1 1300606754 SUVDTKKBVDEYJW-PMACEKPBSA-N 439.673 4.713 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1cccc(F)c1 1300746804 VKJZVQKNOHFPSR-IBGZPJMESA-N 441.963 4.841 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1)C(C)C 1300884863 MJKOQKCGNGTJCM-XPNTWCBSSA-N 442.579 4.707 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC3(CCc4ccccc4O3)CC2)CCCN1C(=O)OC(C)(C)C 1301086876 YQMUHLFDARKNLB-SANMLTNESA-N 440.584 4.719 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCSCC(F)(F)F)CC1 1301126734 DVYITGTUEVSVKP-UHFFFAOYSA-N 428.499 4.706 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2(OC)CCC(C)CC2)CC1 1301134387 JNABESOVAIXIGK-UHFFFAOYSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCC2)CC1 1301160766 XLJDBSWIUXSVNX-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC2(CC2)C1 1301221939 QFDABPQZIGGUSV-UHFFFAOYSA-N 429.609 4.739 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H](CC)N1CCCC1 1301351035 HFXVEETUARQZKI-JOCHJYFZSA-N 434.563 4.546 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC1=CCCCC1 1301417025 MEXXHRGLNVFNBA-UHFFFAOYSA-N 434.382 4.565 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)C3CCN(C(C)C)CC3)c2C#N)C1 1307448869 DHWLFUSGSMNFPO-GOSISDBHSA-N 444.689 4.904 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)C(C)C 1310921342 ROTHOHLEDRFNJQ-ICSRJNTNSA-N 440.485 4.908 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCc2ccc(OCCN3C[C@H](C)[C@@H](C)C3)cc2)CCCC1(C)C 1312406453 XGTKQXVVJFOIGM-HWBMXIPRSA-N 441.660 4.972 30 10 IJEE COCC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H](C)C#N)CCCCC1 1315850968 ICUNDAHSKUOEFG-LJQANCHMSA-N 439.604 4.667 30 10 IJEE C/C(=C/C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cccc(F)c1 1318393285 FIDNWVDYMWDXTI-YVMONPNESA-N 428.329 4.636 30 10 IJEE C#CCN(C(=O)C(F)(F)Cc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1353633719 HDRANTRAGGSNDK-SFHVURJKSA-N 434.280 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1358871688 JBPOTIPYENWVJF-RBUKOAKNSA-N 433.531 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1cccnc1)C(C)C 1358871933 MDCQKYBVYTVOET-YCRNBWNJSA-N 435.547 4.850 30 10 IJEE C#CCCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(CO)CC1 1358907226 IGWKOFGIKCLUFV-UHFFFAOYSA-N 438.572 4.825 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1359117929 DLXPUZOHNJMOSH-GOSISDBHSA-N 427.911 4.757 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C(C)(C)C1 1359120948 NPRUFEOUILKIJV-SFHVURJKSA-N 434.588 4.684 30 10 IJEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1359135238 WZRGDFBHPPCYBR-IBGZPJMESA-N 431.540 4.800 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1359235245 SIKIMIUFIIDISP-OAQYLSRUSA-N 436.991 4.526 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(CN(CC)CC)c1 1359245584 VDWJEEZCRYGHDO-DHIUTWEWSA-N 439.648 4.709 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCC[C@@H]1C 1359262182 LAJYIIZTRLGCSC-AOMKIAJQSA-N 444.004 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@@H]1CC=CCO1 1359264781 PHAVAOYWNYJLRN-SFHVURJKSA-N 440.544 4.595 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC12CCOCC2 1359267347 DBCCYGZATUOLJM-SFHVURJKSA-N 430.499 4.542 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1359268471 RLWXBHKBDLJKHT-QUCCMNQESA-N 445.405 4.947 30 10 IJEE C[C@@H](c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1)C(F)(F)F 1434982956 CTTHGPYFCRSIPR-HNNXBMFYSA-N 429.442 4.715 30 10 IJEE C#Cc1cccc(N(C(=O)CCCOc2ccc(I)cc2)C(C)C)c1 1435028100 OBKRURKEDRYSDC-UHFFFAOYSA-N 447.316 4.873 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CCCC1 1437628976 VYGDRGNPXIMTKY-PMACEKPBSA-N 432.630 4.610 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 1443414090 ZDLQIKNAUMAWQF-UHFFFAOYSA-N 438.936 4.789 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 1446790496 DXRZPLWZFKTASC-ICSRJNTNSA-N 430.593 4.957 30 10 IJEE C=CC[C@H](CC)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1448567265 XMCULXMCWLWNGZ-JXFKEZNVSA-N 425.367 4.660 30 10 IJEE C=CCn1c(SCc2cc(OC)ncc2Br)nnc1-c1ccccc1F 1458827439 PHQHHQXHWACDQG-UHFFFAOYSA-N 435.322 4.729 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)c1ccc(Br)cc1 1460784421 JKTWIEAVAZTVIC-QZTJIDSGSA-N 433.143 4.732 30 10 IJEE C=CC[C@@H]1CC[C@H](NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 1461570141 BFHJEEJIUMHBQU-GGAORHGYSA-N 427.633 4.880 30 10 IJEE CN(C)c1cccc2c(S(=O)(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cccc12 1463130947 CULDQYKNMXITDS-UHFFFAOYSA-N 447.585 4.984 30 10 IJEE CC(C)CN(CCN(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1465525694 AIXSVSPLSHVIFE-UHFFFAOYSA-N 428.964 4.842 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Nc1c(F)cccc1F 1466440371 LJPOCMJKTYHPHY-LJQANCHMSA-N 429.467 4.954 30 10 IJEE C=CCOc1ccc(CNC(=O)NCC2(c3ccc(Br)cc3)CCC2)cc1 1468180988 QATCPHLBNGEWNO-UHFFFAOYSA-N 429.358 4.935 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCCCC1(F)F)[C@H]1CCOc2ccc(Br)cc21 1470325863 MJMJAYMYJHOFSM-YOEHRIQHSA-N 441.316 4.743 30 10 IJEE C=CCCONC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1470615746 FQLUWBJFLKRYMO-UHFFFAOYSA-N 449.363 4.957 30 10 IJEE CC(C)[C@H]1CCc2nc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)sc2C1 1477185208 CEBPWEDUIMQLJU-INIZCTEOSA-N 442.560 4.990 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccc(C(F)(F)F)cc1 1478272446 LEZOGXNYBXFWLX-IBGZPJMESA-N 436.453 4.779 30 10 IJEE C[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1(c2ccccc2)CCCC1 1478456617 BZOXTMLZOSRFPW-JOCHJYFZSA-N 430.596 4.676 30 10 IJEE CS[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)(C)C 1505177544 GODJWQGCNRFZOJ-IBGZPJMESA-N 441.645 4.988 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CC2(CCOCC2)C1 1507530640 VUZAGFUAFQVIFY-HNNXBMFYSA-N 433.383 4.917 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(C)CCCS1 1507662341 ILQRUNPCSQTSNE-KOSHJBKYSA-N 438.666 4.880 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1507775045 HBDKLELCLRGOIF-MRXNPFEDSA-N 425.758 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CC)C[C@H]1CCCO1 1507802927 DWFSYHFUCKMRGO-LSWJPFSZSA-N 445.007 4.509 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1507948162 NXDIHXWNLWKJMA-RBBKRZOGSA-N 445.007 4.742 30 10 IJEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1cccc(C)c1 1507955198 WCTGBUGROUPQTM-HXUWFJFHSA-N 441.576 4.629 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1507974633 INKHILZXQBCNLW-VQIMIIECSA-N 437.407 4.597 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CC[C@@](C)(CC)O1 1507997779 FVBKJCJLAWXMQW-PXDATVDWSA-N 435.572 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCN1CCC[C@H]1C 1508008208 DPKIUESCYLZWOG-GOSISDBHSA-N 425.577 4.823 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCCN1CCCCC1 1508009460 ZAMKLIUHRPANPK-QHCPKHFHSA-N 441.595 4.727 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1ccc(OC(C)(C)C)nc1 1508020876 RVAXMLFUMIQCMS-UHFFFAOYSA-N 431.584 4.976 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](OCCC)CC1 1508104107 GXROIKIGRIXOKX-QHCPKHFHSA-N 447.583 4.739 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3c(Cl)ccc(C)c3n2)CCCN1C(=O)OC(C)(C)C 1520529881 GWZOBBXVWKSKLV-QHCPKHFHSA-N 427.932 4.928 30 10 IJEE O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc2c(c1)OC(F)(F)O2 1521627644 ATIRNKODOGANJP-CYBMUJFWSA-N 425.256 4.643 30 10 IJEE N#Cc1c(NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)sc2c1CCCCCC2 1527527525 HYNPIDLDHNQMFN-UHFFFAOYSA-N 428.579 4.715 30 10 IJEE C=CCN(C(=O)[C@@H]1COc2cc(F)ccc2C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1530618746 ICYJENMTJXIZHQ-INIZCTEOSA-N 439.468 4.628 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 1535455955 WWSIKUBNLICDNH-JOCHJYFZSA-N 442.519 4.656 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1OC 1535478669 GGRLBYUAZJDVCL-FPOVZHCZSA-N 445.519 4.855 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C(C)(C)F)on2)nnc1-c1ccc(Cl)cc1 1538242064 SIIMLHBQPLRNDQ-UHFFFAOYSA-N 435.912 4.708 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1538992482 RWULCDXATMGOCA-UTKZUKDTSA-N 444.645 4.978 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCN(C2CC2)CC1 1539035239 NQGSXGKFKFIHQS-QGZVFWFLSA-N 444.048 4.556 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539079182 OZAFLFRMJBAOHP-AREMUKBSSA-N 433.600 4.726 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCSCC 1539237921 MMMBADLTLABHHI-UHFFFAOYSA-N 431.609 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCN(CC)C1 1539546901 OTJOZDADAIIPDO-OPAMFIHVSA-N 432.399 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCCC[C@H]1C 1539547277 WOSTXBJTZHVZPF-HOYKHHGWSA-N 443.998 4.994 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)C[C@H]1CC=CCC1 1539641243 DOPWYWRBEGQMCN-FBLLAGFSSA-N 436.600 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)CN1CCCC1 1539651982 MNRFLAWCDZQKGO-FQEVSTJZSA-N 432.616 4.936 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1539685960 AWBJZJJNUOSWDO-MSOLQXFVSA-N 433.394 4.924 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N(C)Cc1cnc(C(C)C)nc1)c1ccccc1 1539766787 FGWNAIUAKOXKOD-UHFFFAOYSA-N 439.567 4.527 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccnc2OCCC)CC1 1539846076 IGEHSKSSRIEYRP-UHFFFAOYSA-N 439.510 4.536 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)CC)CC1 1539897472 FIZIUYKUMOKZRM-RUZDIDTESA-N 426.605 4.718 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)C[C@H]1CCCO1 1539988991 LXQOOFSNQCDCRN-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C)C1CCCCC1 1540048788 BJOYMIVEZLKXFY-SFHVURJKSA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H]1OC 1540148492 XLOFNUUCFUXADV-AZUAARDMSA-N 428.627 5.000 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCc1cccnc1 1542053114 DFTXUZOSUDWISP-QGZVFWFLSA-N 443.580 4.753 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1OC 1545599695 VSDGHBGYIRXQDI-WPGQDMCLSA-N 436.335 4.818 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C 1546593615 BXEKDADMLULZTH-WMQCIHAUSA-N 434.613 4.806 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CC1CCC1 1547280151 FESFCTORWIAERI-UHFFFAOYSA-N 430.556 4.675 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 1556730370 MNONJLFSCGZSSV-NSYGIPOTSA-N 442.490 4.543 30 10 IJEE C#C[C@@H]1CCCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)C1 1557241294 WIYOOHJGGMBVPP-QGZVFWFLSA-N 431.005 4.796 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1558881336 AVMCENJARLLDEB-QUCCMNQESA-N 428.573 4.998 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccc(F)cc1 1559330327 VTMNBNVUCNRYAN-GOSISDBHSA-N 431.920 4.800 30 10 IJEE C#Cc1cccc(N(CC)CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 1559644984 RPSGOIJVJYUOIZ-NRFANRHFSA-N 439.559 4.966 30 10 IJEE C#C[C@H](NCc1cccc(I)c1)c1ccc(Br)cc1 1560855051 OVIKPQKLXNKSJP-INIZCTEOSA-N 426.095 4.518 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Br)cc1 1569673461 IOGBIWIEJOPKFZ-OALUTQOASA-N 443.341 4.506 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)ccc1OC 1587579490 HAYLAQNTNPVCEA-CVEARBPZSA-N 438.572 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1587604175 SKOBRMWAGVLAKZ-PZJWPPBQSA-N 437.588 4.583 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCOC2(CCCCC2)C1 1587835248 QMXVSEGRXMDVSR-UHFFFAOYSA-N 443.389 4.661 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC2CCCCC2)CC1 1587879026 NGYMZQVALVNQOH-UHFFFAOYSA-N 449.643 4.590 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCc1cccc(C)n1 1587921993 OZHBKBFGXPSIEW-UHFFFAOYSA-N 438.579 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCSCC(C)C 1589171696 PCDJNSFDARMSFS-JOCHJYFZSA-N 427.574 4.625 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)c1nc(C)cs1 1589251649 PSHVHXKSKZGXGW-WAIKUNEKSA-N 439.560 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(Nc3cccc(C)c3)CC2)nnc1C(C)(C)C 1589577715 DOIMKVJTQSDORM-REWPJTCUSA-N 437.632 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCc1ccc(Cl)c(OC)c1 1589669433 UWYQKLNXNKPJFT-UHFFFAOYSA-N 425.964 4.571 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(CC(F)(F)F)CC1 1593600661 ZEXSLFGRRTXEHN-UHFFFAOYSA-N 448.320 4.902 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1594036720 WNGYPQFYFCGPRP-NTKDMRAZSA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cccs2)CC1 1594504317 ODYGNULKILFWEJ-UHFFFAOYSA-N 439.604 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1594511345 PCCZBFDTRHZVIV-DFBJGRDBSA-N 443.636 4.717 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc(C)ccc2F)nnc1[C@@]1(OCC)CCOC1 1594528571 LBSYCEZKSPAWPE-XMMPIXPASA-N 430.568 4.616 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1594545557 UMAPRLKJMRIQQU-DEOSSOPVSA-N 430.600 4.621 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1594608591 QDRVUSRTWMKFAE-RTBURBONSA-N 434.588 4.514 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1595442516 PUMHSHAAJXVXQU-SFTDATJTSA-N 426.605 4.980 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1595879697 ZJZGNLANMCHTDI-RTBURBONSA-N 447.674 4.549 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)C1 1611767011 FSPQHQXGWYIKQL-OAQYLSRUSA-N 426.446 4.537 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccccc1C(=O)O 1614236746 MTEDRJBZRCLLIQ-XKOOYEHJSA-N 431.311 4.771 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 1615366157 DKQRTMBENZEQES-QGZVFWFLSA-N 435.524 4.602 30 10 IJEE C#C[C@H](N[C@H](C(=O)Nc1nc(-c2ccc(CC)cc2)cs1)c1ccccc1)[C@H]1CCCO1 1617358866 CMPIKIUIQGLNSO-QTJGBDASSA-N 445.588 4.823 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](O)c2c(F)cccc2Cl)cc1OC 1620811275 RCWALWGGCWAQNS-INIZCTEOSA-N 444.728 4.638 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 1624859566 KRNJODXKEJPPIY-YCRPNKLZSA-N 435.442 4.881 30 10 IJEE C#C[C@@H](C)NC(=O)C(Cc1ccccc1Br)Cc1ccccc1Br 1625828604 QJPYHXMXUBMXHW-CQSZACIVSA-N 449.186 4.751 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 1626376932 GXRRAFHHAFRUJK-MJGOQNOKSA-N 446.979 4.663 30 10 IJEE C#CCONC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)C[C@@H](C)C2 1629149970 LSWGRNLPPXJHMQ-FBKQIBBUSA-N 425.532 4.718 30 10 IJEE O=C(Cc1ccc(F)cc1Cl)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1629967718 HRASDNMEENEMGE-INIZCTEOSA-N 443.746 4.607 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 1630066116 RPWQQVQNTJXLLG-RDTXWAMCSA-N 440.943 4.828 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)CNc1ccc(C#N)cc1 1631522280 HXYOQHXHMPKBFS-NRFANRHFSA-N 430.474 4.506 30 10 IJEE C=C[C@H](C(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1636483882 ZKANJRWBYBOSMP-AEFFLSMTSA-N 426.563 4.696 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl 1644617653 FTJORCIGAQBVJA-IAGOWNOFSA-N 445.387 4.735 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CCCC1 1645356708 KZZTXXOWPWEYLK-UHFFFAOYSA-N 442.581 4.752 30 10 IJEE C=CCn1c(SCN(C)C(=O)OCC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651539061 AIUIGFFQVOUMPX-CQSZACIVSA-N 435.615 4.543 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C(C)C)[C@H](O)c2ccccc2)cc1OC 1657279562 BAOBDMNLJMEBMA-NHCUHLMSSA-N 434.374 4.870 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN([C@H](C)c2nc3ccccc3s2)CC1 1657649291 PPWBSSRMMRMRAE-QGZVFWFLSA-N 425.985 4.841 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 1657931399 MDZVIMHKZGKIBX-CALCHBBNSA-N 431.577 4.973 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CCc1cccc(Cl)c1 1662648707 GFENBZUOCUQUAC-AWEZNQCLSA-N 430.879 4.645 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc(COCC)c1 1666959677 UTHQWSOKGCDIMI-UHFFFAOYSA-N 442.350 4.502 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2)cc1 1668462841 HZWVVOVJMSHEIS-UWJYYQICSA-N 436.512 4.668 30 10 IJEE C=CCCCCCN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1673996470 KGMMDUBBUVJFLA-YLJYHZDGSA-N 425.976 4.629 30 10 IJEE CC[C@@H](C)c1ccc([C@H](NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c2cccs2)cc1 1676778405 AXPJUHRQEONLIB-UTKZUKDTSA-N 439.581 4.839 30 10 IJEE C=CC[C@@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12)c1ccncc1 1677731541 UNPAJJAPUBVALB-OAQYLSRUSA-N 429.499 4.960 30 10 IJEE C#C[C@H](NC(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1)c1ccc(Br)cc1 1679227967 OWOWPHRIZWRODF-UZLBHIALSA-N 444.373 4.831 30 10 IJEE C#C[C@H](NC(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(Cl)cc1F 1683517095 PXOJVJGEBNZZTJ-NRFANRHFSA-N 442.897 4.957 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1cc(Br)c(OC)c(OC)c1 1683719498 XNSCHSAQSWALCM-UHFFFAOYSA-N 449.345 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1C(F)(F)F 1689866937 NIPSQKNITDSMHV-YVWKXTFCSA-N 448.533 4.916 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](C(C)C)C1 1690184193 FGNJTTJEMALEDV-OAQYLSRUSA-N 426.630 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1690238901 PATCPIWIKMNOEC-FJIJXJHWSA-N 449.599 4.756 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCC(F)(F)F 1690250402 GZEKRDCUGUWGJK-WIYYLYMNSA-N 447.505 4.651 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1690291591 GYDBCJIWFMZJHI-UHFFFAOYSA-N 430.618 4.962 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690472404 MYNDRGWGWIPBPF-AEFFLSMTSA-N 440.523 4.599 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1CCc1ccc(Br)s1 1690529459 PXLMLNQDDGNOLT-UHFFFAOYSA-N 435.366 4.697 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(Cl)cccc2C1 1705525206 ANJOSMMWZXECPI-UHFFFAOYSA-N 444.764 4.665 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1705608397 PVYWKPVLYCHTIN-GMAHTHKFSA-N 449.986 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CC[C@H](OCC)C(C)C 1705671575 PGRLENQLDBCAFT-BKMJKUGQSA-N 431.584 4.937 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1705832190 PVWIHEZEOUQYIO-RUZDIDTESA-N 440.563 4.916 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCCN1CCCC[C@H]1C 1705864392 AFHGWIRUIMHSBN-NFBKMPQASA-N 441.595 4.726 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1705885067 GVEFPNPPXSECML-DENIHFKCSA-N 445.677 4.650 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1cccc(F)c1 1705948243 MSMOQASNZFMQKX-NRFANRHFSA-N 440.592 4.540 30 10 IJEE Cc1nc(C)c(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(F)(F)F)s1 1707735080 DKWUNCBXHOARQH-UHFFFAOYSA-N 434.491 4.521 30 10 IJEE C[C@@H]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 1708013726 BBRRZAFUCRSLKX-BHIYHBOVSA-N 447.505 4.944 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(Cl)s1 1711072420 CEQQPSCBGYBCKJ-GOSISDBHSA-N 427.961 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)C 1722277146 HOQFLERIVPNKPG-ROKPMTFOSA-N 431.584 4.711 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1722456515 VWCRZUFPPCDTQN-OALUTQOASA-N 445.032 4.608 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C 1722511347 YGJMNSJAGAEICT-SIKLNZKXSA-N 447.023 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1ncc(C)s1 1722516138 UJJBGWNLWGXFLO-KRWDZBQOSA-N 436.585 4.700 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722605083 UXFQBBREQHSTMZ-JOCHJYFZSA-N 437.632 4.665 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1722605607 MXDBTOWOLNSIAR-RUZDIDTESA-N 440.595 4.951 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](C)c1nc(C)cs1 1722662750 LAWACMYNJDJXQT-OAHLLOKOSA-N 437.598 4.558 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCc2ccc(O)cc2C1)C(C)C 1722666310 QMNJHQNHROYBMV-DEOSSOPVSA-N 435.616 4.513 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1728227105 DWFCGSZRFLUKHH-OALUTQOASA-N 430.556 4.531 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(CC)C1CCCC1)CCC(F)(F)F 1728499211 FNRBRRFHNNZWBH-UHFFFAOYSA-N 448.537 4.860 30 10 IJEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)c1cccs1 1729483813 DPTYGYKRPRNVEV-UHFFFAOYSA-N 435.597 4.719 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@@H]2CC)c1 1740564376 LFRALRZOZDSIEE-LEWJYISDSA-N 435.616 4.749 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1740601986 OCDOQQQPUWRWCB-WOJBJXKFSA-N 444.627 4.628 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(C)CCOCC1 1740663275 FEGHFYVGGRPCPL-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCCSCC(C)C 1740729470 HPOJMFDUKUTHCM-XMMPIXPASA-N 442.629 4.734 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C2CC2)C1 1740747987 CTSFKPCPMSWVDZ-SFHVURJKSA-N 431.378 4.619 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@H](C)C1 1740753141 GDKZTCVUXRITBJ-FCEWJHQRSA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccsc1)N(C)C 1740770189 JYINHFSLLAXDCS-SFHVURJKSA-N 431.009 4.760 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1740826790 XJTHUKNRRFJQFB-UHFFFAOYSA-N 437.510 4.602 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1740862707 CDOFERQPCUKIQT-IBGZPJMESA-N 444.004 4.913 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1-n1cccn1 1740901911 POQGZNRSOCOHKQ-UHFFFAOYSA-N 440.338 4.503 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCN1CC)C1CC1 1740907281 SJSYPOHMISUSSJ-LJQANCHMSA-N 444.421 4.655 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CC1CCC(F)(F)CC1 1740913655 GBINHQCUVUJBSC-HXUWFJFHSA-N 446.542 4.809 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCc1csc(CC)n1 1740919717 PTHNBIDXPIARLO-UHFFFAOYSA-N 448.571 4.933 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1740946653 FLRLVSSQGQYZAY-VQTJNVASSA-N 429.609 4.738 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCCCC2)c1 1742530404 FVYSPCPHMQYNLY-FQEVSTJZSA-N 448.640 4.945 30 10 IJEE COc1ccc(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1748699907 DQXWVQPEUISNHF-JTJYXVOQSA-N 437.588 4.537 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cscc1C 1748867528 INHVIPKVBBPPSG-OAQYLSRUSA-N 432.593 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CCN(CCC)C(=O)OC(C)(C)C 1749061004 IDBUAQYRHMLBDS-RUZDIDTESA-N 437.588 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnc1C(C)(C)C 1749139189 CEONMTBLRUSWHW-FPOVZHCZSA-N 441.576 4.880 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749249547 ISEPEMRFOQFJQF-CZUORRHYSA-N 441.885 4.534 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749316290 DXTMXWXRCRFREV-MYDTUXCISA-N 443.680 4.721 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(CC)CC)N(C)C)CC1 1749331432 JMWNAHSFXDOUHI-JOCHJYFZSA-N 440.592 4.622 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1749395314 GDNRFZKBJKKFDL-UHFFFAOYSA-N 435.616 4.967 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC(C)(C)CCOC)C1CC1 1749510508 ILBPKLXUGYHPKC-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1749537617 MIKYHUUZXBEMGG-UHFFFAOYSA-N 441.583 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1cc(C)ccc1OC 1749550681 HBONSSAHEUWCQE-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@H](C)c1ncc(C)s1 1749587469 VRQLOMGFTFUPSF-KRWDZBQOSA-N 436.585 4.680 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC[C@H](F)C1 1750792000 HDMNDNJYKCUGAQ-HKUYNNGSSA-N 427.524 4.578 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(C2CC2)CC1 1751090597 HAEFTNSPEAPOAE-ZDUSSCGKSA-N 432.341 4.775 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1760220588 OWSJGKGMDVAJOF-QUCCMNQESA-N 432.465 4.765 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@H]1C(C)C 1760242120 UCKPICJYFLRYLI-REWPJTCUSA-N 426.580 4.707 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1C1CCC1 1760273899 BYMFQBDLSWSWHL-FXAWDEMLSA-N 428.577 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](OCC)C1CCCC1 1760291412 NTDIOGRLIRZPSD-ZEQKJWHPSA-N 431.584 4.794 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1760350968 XXMKYXNOQWQUTC-RXVVDRJESA-N 448.608 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H](C)C(=O)NC 1760408649 DOKRNRYHYDWXOY-DLBZAZTESA-N 443.661 4.552 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1760411811 DBWPMXZSOQTEMA-LEWJYISDSA-N 426.580 4.983 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1760418425 SEXUCUKCPIFEDJ-BTHPGYMESA-N 434.506 4.777 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1C(C)C 1760447843 STDZEIVBBRZJOX-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(SC)CCC2)C1 1760536425 BNEVMEURHWLKBV-KRWDZBQOSA-N 449.020 4.674 30 10 IJEE CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1)OC 1762126094 HKWUISLBZWGOJP-XMMPIXPASA-N 432.572 4.829 30 10 IJEE CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1NC(=O)OC(C)(C)C 1763489066 HEHAHBBQOGSFCH-IRXDYDNUSA-N 426.565 4.783 30 10 IJEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1764377363 BNKVKIXHJJUMDW-SFHVURJKSA-N 436.585 4.559 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)c2cccc(Br)c2)cc1 1858866785 MAZBRLJXMDLTRS-UHFFFAOYSA-N 429.314 4.552 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862414499 AYOWKYWDZRFPLN-XMSQKQJNSA-N 441.474 4.846 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@@H]2c2ccc(C)cc2)cc1 1862475549 PCUGAZVEJWMVSR-XMMPIXPASA-N 437.499 4.958 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccccc2C)cc1 1862475843 VUKOKAVMOSRINP-XMMPIXPASA-N 441.483 4.811 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1 1862475982 YNQYXGYIRGMIID-HSZRJFAPSA-N 427.456 4.502 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)cc1 1862507720 RVVPVVVKBOYGJI-JOCHJYFZSA-N 441.499 4.625 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(CC)CC)[C@H]2c2ccccc2)cc1 1862534754 XQPPGPLUYQSISR-DEOSSOPVSA-N 434.580 4.949 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862594921 JLSVLJSSCUDKEV-HXUWFJFHSA-N 439.920 4.928 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Br)cc1 1862600233 PZZDASNSYUFPDF-XIKOKIGWSA-N 430.298 4.532 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc(Br)ccc1F 1862601847 OJIJPZYSQHOQBW-BBATYDOGSA-N 448.288 4.671 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(OC)c1 1862614766 DSFFYBYYTMDAAT-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1Br 1862647224 YSYRXMYWODELSR-GOSISDBHSA-N 448.288 4.585 30 10 IJEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862664340 HYJXTCPJLWBQGW-DEOSSOPVSA-N 448.563 4.648 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1O 1862717916 OSHQHHQCNGBCGD-HSZRJFAPSA-N 431.488 4.788 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870107716 VOCACJBRDTXDEO-XBXARRHUSA-N 432.698 4.810 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2cccc(Cl)c2)cc1OCC 1870153249 JMIFPAXGYKJCOI-UHFFFAOYSA-N 439.903 4.622 30 10 IJEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1870811591 BVGMWISTMNSWLT-UHFFFAOYSA-N 444.579 4.705 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2C)c(=O)cc1CNc1ccccc1 1871170510 QUJMPUNKAWQKNF-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871219808 NBXCNJXSAMMJIC-UHFFFAOYSA-N 447.579 4.869 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(CCc1ccccc1)CO2 1871348705 IOHYQUZFBBEKQM-QRVIBDJDSA-N 442.471 4.914 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 1871414263 DKEAIXLZTMAPHO-IWIPYMOSSA-N 448.471 4.786 30 10 IJEE COc1ccc(-c2coc3cc(OCc4ccccc4C#N)c(OC)cc3c2=O)cc1OC 1871437219 MRKJDGJMBCWGMG-UHFFFAOYSA-N 443.455 4.936 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872244427 GCBKTKJCYNXOBZ-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE COc1cccc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 1872762651 SUGGOEXMZIQPAQ-HXUWFJFHSA-N 447.560 4.722 30 10 IJEE N#C[C@@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763476 NAMDBSXJFJVUTQ-HNNXBMFYSA-N 428.267 4.971 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763654 RISDAZMSHDWGBL-KRWDZBQOSA-N 435.461 4.538 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203531 VOVGRASKJMYPSG-UHFFFAOYSA-N 437.421 4.874 30 10 IJEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3cccs3)C2=O)c(C)c1 1873332542 PVGYSTTZNKCZPS-UHFFFAOYSA-N 441.556 4.980 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCCCN(C)C)ncnc21 1873626689 LVTOFWNALZNTMU-UHFFFAOYSA-N 434.588 4.531 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)CCCOc1ccccc1C 1873710365 BLBWIFZLONZNAK-UHFFFAOYSA-N 449.576 4.543 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(C(=O)OCC)cc3)c(=O)oc2c1C 1873951149 QELJAVYEBSWTGH-UHFFFAOYSA-N 449.503 4.723 30 10 IJEE CSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(Br)c1 1874265645 HZHSDJZCVLARPJ-KEBDBYFISA-N 437.750 4.877 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccn1 1874406722 PWYNYJYZIUDIDU-WGOQTCKBSA-N 448.596 4.717 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1C 1874424045 REICIYJAZAGLGV-HZHRSRAPSA-N 441.626 4.938 30 10 IJEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(O)cc1 1874473481 GQXCQHXVKCQBMW-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2)c1C 1874488664 CYJZFSWMOXAFRD-DHRITJCHSA-N 439.560 4.846 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(CC(C)C)nnc1SCc1ccccc1 1874489837 NJMMMUBJXSAUBF-ZVHZXABRSA-N 440.569 4.677 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(OC)cc1 1874494650 BZZPFDJWXNNYSA-MFKUBSTISA-N 449.580 4.730 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1F 1874582574 VCNNNMATYMQHNA-SZEUEKNRSA-N 433.479 4.987 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1csc(Br)c1Br 1916315103 XQMRATWGPZLPHW-UHFFFAOYSA-N 443.986 4.810 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 1963656280 QGAIPCGPAKFVEN-IGCXYCKISA-N 436.350 4.541 30 10 IJEE C#CC[C@H]1CCCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984724512 QQHAGDUDVRZCRD-FNZWTVRRSA-N 444.575 4.954 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2079051643 IROXCWYSRLDQHO-CSLHCHJMSA-N 431.224 4.541 30 10 IJEE CC(=O)Oc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080080681 XWKYHPDHARSGCD-GOSISDBHSA-N 446.345 4.820 30 10 IJEE CC[C@H](C)[C@@H]1CSC(=Nc2cc(Br)ccc2I)N1 2081319024 JLAGJFWZQAXOQX-UFBFGSQYSA-N 439.160 4.792 30 10 IJEE C[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)[C@@H]1CNC(=O)OC(C)(C)C 2118191909 KCTARTKJYIAABE-SJKOYZFVSA-N 426.330 4.589 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 2145528916 NQUBJHCPYUMUHL-DLBZAZTESA-N 441.414 4.574 30 10 IJEE O=C(NC[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F)OCc1ccccc1 2146527741 GNEBRVPHUYNPDY-MRXNPFEDSA-N 438.343 4.791 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(C#N)cc2Br)cc1 2181139312 MAODKPMYOMISCQ-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C)NCCC 2217949159 QVPBSKGCYOONJA-GOTSBHOMSA-N 446.632 4.932 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CN(CC(F)(F)F)C(=O)OC(C)(C)C 2235723704 LKXHKPWYCQYTFP-OAHLLOKOSA-N 449.311 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@@H](O)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235739459 IFLRRXSFVGOTJT-PGRDOPGGSA-N 436.390 4.835 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C12CCC(CC1)N2C(=O)OC(C)(C)C 2235745176 BHCCUSMTBRMWFR-OZWAEMERSA-N 433.390 4.711 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc1B1OC(C)(C)C(C)(C)O1 2241476164 MWSANRNJKZYSIV-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE CC(C)(C)C#CC=CC[C@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248446870 DYJIZQULWWUMMD-QFIPXVFZSA-N 427.585 4.797 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@H](N)C#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2260976159 ANCLJPAKJPPITK-XMMPIXPASA-N 439.644 4.847 30 10 IJEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267610971 MOHGHYZXGDRBPV-MRXNPFEDSA-N 441.327 4.705 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(CC)n2)CCCN(C(=O)OC(C)(C)C)C1 2287698198 QYROBWUGFINMDN-FQEVSTJZSA-N 440.382 4.774 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](C#Cc2cccc(Br)c2)NCC)C1 2296222444 RTDWVBFUYMVXQM-IBGZPJMESA-N 433.390 4.640 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC1CC(CNC(=O)OC(C)(C)C)C1 2296222969 XTUIJSJGLUVPHB-QLOJAFMTSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](O)C#Cc3cccc(Br)c3)CCCC[C@H]12 2296231636 GMOXIEMBSWBGGI-CNNODRBYSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2296266924 NFSKRWSEWUORJE-ZCNNSNEGSA-N 435.406 4.862 30 10 IJEE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)N(CCC#N)c2ccccc2)C1=O 2296882406 SXGYVLFJTSQXHB-UHFFFAOYSA-N 447.585 4.781 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCOC)cc1 2314477229 CXDSZBVBXJKFFR-VWLOTQADSA-N 449.547 4.880 30 10 IJEE CCN(CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317351452 IXVIOFUSUZADDJ-UHFFFAOYSA-N 432.370 4.752 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCc2nc(O)c3ccccc3n2)c1 2322377429 KBGDXDHZUFHCES-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)c(Br)c1OCCCO 2323126540 JOQIBSKYBMGFIX-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)cc2)cc1Cl 2324422585 ZHFSNHKHLGJYJM-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c(C)c1 2324883129 OLIDMDGKYIJKMJ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325571484 GIMMMTOQLVKNRD-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1ccccc1C(F)(F)F 2325705807 FJMIBWWSKLRGRG-UHFFFAOYSA-N 429.350 4.932 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)cc1OC 2325714952 GTGXDEVCKCNDAZ-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2325740463 OVIICWSBDXIPIY-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328754364 MEXXTDSJMHBRJS-UHFFFAOYSA-N 425.514 4.582 30 10 IJEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329207025 FYSXUCIRSVROTM-UHFFFAOYSA-N 443.916 4.622 30 10 IJEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1O 2330814676 WDFWCIRSYUUTRR-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCOc1ccccc1 2331048531 VUWCAYQUOZUAIX-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(F)cc1 2331344804 OEGOINJIARENBG-UHFFFAOYSA-N 436.516 4.583 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)NCc3ccco3)nnc2C(C)(C)C)cc1 2331392164 WXHVOYSUIIYMAT-UHFFFAOYSA-N 439.585 4.583 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccs2)cc1C 2331430554 IUVZAJWFARHNJH-UHFFFAOYSA-N 427.599 4.768 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1F 2331457782 HGZSDEUSLQCNPW-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCC2)c1 2331543676 CVYUPIVCOAJELY-SFHVURJKSA-N 433.581 4.706 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)cc1Cl 2331819035 CKXYNPNKZSACSI-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C#Cc1cccs1 2338390069 MCZYSDDDGHXVKH-KRWDZBQOSA-N 434.355 4.567 30 10 IJEE CC1(C)OB(c2cc(Oc3cc(Br)ccc3Cl)ncc2F)OC1(C)C 2345738651 FUUNWJJNDWERNX-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197270 JAFPZPGIZSNIOF-LMCOJAPRSA-N 433.390 4.567 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cc(F)c(Br)c(Cl)c2)n1 2362159342 FGJFOAIPKSTNGH-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(Br)c(F)c1)NCCC)C(=O)OC(C)(C)C 2363121985 JMZUKIJQUTVPOM-QGZVFWFLSA-N 441.385 4.759 30 10 IJEE N#Cc1cc2c(nc1Oc1cc(Br)cc(I)c1)CCC2 2364271876 NLIKCMIVAKLZAS-UHFFFAOYSA-N 441.066 4.601 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(C)cc(Br)c2OC)C1 2365242724 CQMYUMNUPVJYFW-GOSISDBHSA-N 439.394 4.888 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC(C)C)c(OC)c1 9601062 IXYWERFNIGZBCP-FQEVSTJZSA-N 429.900 4.592 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(OCC(C)C)cc2)nc2ccccc12 12239577 ZDQVWKNGCOCTLD-UHFFFAOYSA-N 425.492 4.888 30 10 IJEE O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 13977424 PIHXXTNKTDAINN-FYJGNVAPSA-N 437.359 4.516 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(O)c1)c1ccco1 32555281 OYPNWPACHWWGRC-GOSISDBHSA-N 429.350 4.787 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccccc2OC)c1C 32972040 IBCPEUCDWREVSJ-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE O=S(=O)(c1cccc(-c2csc(N/N=C/c3cccs3)n2)c1)N1CCCCCC1 33960112 NOWCPLZWUFNXAS-KGENOOAVSA-N 446.623 4.882 30 10 IJEE C=C(Br)Cn1c([C@@H](C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21 40193488 JMMOAXCLFKZUCN-CQSZACIVSA-N 448.748 4.855 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)c1 41514536 BXULUMVTTHNEAW-OYKKKHCWSA-N 445.515 4.966 30 10 IJEE COc1cc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc(Br)c1O 96297484 SQKPNDUVYJQNJZ-VXJJIPQQSA-N 437.293 4.869 30 10 IJEE Cn1/c(=N\N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)sc2ccccc21 103739635 FUISGGAJXCZETH-CLYAXPEHSA-N 432.936 4.745 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(OC)c(O)c2Cl)C(C(=O)c2ccccc2)=C1C 169928700 JDKMWYAMMDMHGC-IBGZPJMESA-N 430.957 4.852 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2O)c1 169932233 KRZYMVGEMXYCRR-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@H]1c1ccncc1 170025880 ULIDDVSIHVJPRX-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170053016 SBFCXZAOGBWTPD-JOCHJYFZSA-N 447.874 4.750 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12 170076918 AEWLFIVPQLPWIK-JOCHJYFZSA-N 446.434 4.687 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2ccc(OCC)cc2)C1=O 170113290 DUXAMWGOCMVSJL-UHFFFAOYSA-N 445.563 4.700 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)cc1 170138437 OGWPMJOTICLEBY-QHCPKHFHSA-N 435.520 4.948 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143579 TYTIQRBIOKRYPS-ZJSXRUAMSA-N 449.547 4.848 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)cc1OC 170161432 KBMIWVQWJCZFQJ-NRFANRHFSA-N 435.501 4.857 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccs2)cc1C 170167065 ZLCJOORMIHUWSJ-NRFANRHFSA-N 437.492 4.983 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)s1 170189097 ORQHGLFUMIEUPE-QGZVFWFLSA-N 425.897 4.591 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 170250558 MHHJQXXMZRVLKU-QFIPXVFZSA-N 435.451 4.986 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)cc1OC 170251578 FNJXZNZRVCTMTP-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2C)ccc1OC(C)C 170273800 MCXCVWLMEYCZCW-HYBUGGRVSA-N 449.547 4.848 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccco1 170292543 HEWPFNNMWHCELA-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@H]1c1ccccn1 170478885 KPOJOQOFWWGCLR-INIZCTEOSA-N 445.903 4.999 30 10 IJEE CCOc1cc(C=NNC(=S)Nc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 254487362 GLLCACXQTBIOTE-UHFFFAOYSA-N 437.496 4.764 30 10 IJEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=Nc2ccc(O)cc2)N1c1ccc(O)cc1 254873635 BSBXDLADQZFYST-FTEWTSQZSA-N 433.445 4.815 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 434825942 DHFDQGWKFDDLME-UHFFFAOYSA-N 436.537 4.729 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)CC1 438616538 FBIHQTRINFNZCA-UHFFFAOYSA-N 428.414 4.573 30 10 IJEE N#CC1CCC(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CC1 440925819 UPIILQTWVVDUNU-UHFFFAOYSA-N 442.922 4.861 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 467724513 OVFSHFINPYYKAX-UHFFFAOYSA-N 435.549 4.798 30 10 IJEE COc1cc(CN(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc(OC)c1 481573632 MNHIFCKGSHOQSH-UHFFFAOYSA-N 449.482 4.957 30 10 IJEE C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 508748816 SPZUWVIUNGPUCU-LJQANCHMSA-N 447.587 4.806 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc1OCC 526802585 HPGDVHOXFXGPKW-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCOc1ccc(/C=N\n2cnnc2SCc2cccc(C)c2)cc1Br 526808011 HJCMCYNNYBFVNI-JJFYIABZSA-N 431.359 4.922 30 10 IJEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(OC)c(O)c(OC)c1 526809240 YHKSLBLGWNNCMX-OYKKKHCWSA-N 440.569 4.826 30 10 IJEE CCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)c1 526821058 YQRIAEZEYDWTQR-MTJSOVHGSA-N 431.359 4.922 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccccc2O)cc1 526829549 OSWMVZKSNIKIJQ-IWIPYMOSSA-N 445.504 4.657 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](NC(=O)CC)C1 558993285 KKZLHNWAOBFIDV-UGKGYDQZSA-N 447.583 4.642 30 10 IJEE N#Cc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(Br)cc2)c1 586208504 FWODOGUKJLWJRR-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC2(CC1)OCc1ccccc12 669803350 KDMLHQAKPFBCNW-UHFFFAOYSA-N 425.536 4.649 30 10 IJEE COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728667868 DPBLAHAVYBKPBJ-QZTJIDSGSA-N 444.487 4.782 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCNCc2cccc(OCc3ccccc3C#N)c2)C1 731360428 CERQCQKUKRDYOY-HXUWFJFHSA-N 435.568 4.874 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(CN(CC)CC)CC2)c1=S 738072063 ZFGUWZIQRUUEOB-UHFFFAOYSA-N 434.053 4.932 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)COC3)cc1 746027009 ZNLIVRMPTISEIU-UHFFFAOYSA-O 428.537 4.762 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2CC[C@@H]2C)c1 795185873 YQMHVPJUZJBQCK-IWMITWMQSA-N 435.524 4.566 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(OC)cc2OC)cc1 917612061 DXCMBLQOEBMIGG-UHFFFAOYSA-O 446.552 4.749 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3OC)n2)cc1 1083988496 LCTKNQMDHVIQOZ-OAHLLOKOSA-N 438.557 4.504 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)cc1OC 1127225001 SNQABMREMRATNQ-UVTDQMKNSA-N 447.487 4.617 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 1128433555 MGMFNFGQHSRXNI-LJQANCHMSA-N 442.364 4.559 30 10 IJEE C=CCCCCCCNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1128747789 BTJJTHNUZPASIE-IBGZPJMESA-N 432.561 4.623 30 10 IJEE C=CCc1cc(C(=O)N2CCN(c3ccc(CC)c(Cl)c3)CC2)cc(OC)c1OC 1128820779 NGMCHYQWXDSTEU-UHFFFAOYSA-N 428.960 4.611 30 10 IJEE C/C(=C/C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 1130341461 NTCDNCOINFOKOW-ATVHPVEESA-N 427.470 4.761 30 10 IJEE C=CCn1cc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)cc2n1 1134067833 XKYGNGWBQBKCFI-UHFFFAOYSA-N 443.956 4.601 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)n1nnnc1C(C)(C)C)c1ccc(C)c(C)c1 1144711086 GKGBBOXVXBJUGE-FQEVSTJZSA-N 447.583 4.947 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccccc3F)C3CCCC3)ccc2c1=O 1149634422 LBPNIMLHTVXWOS-NRFANRHFSA-N 437.540 4.672 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)cc1OC 1162773802 OBYRWKYQIFDPMY-UHFFFAOYSA-N 432.402 4.625 30 10 IJEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1171266019 DASIVVCYELHREU-BRWVUGGUSA-N 445.629 4.515 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)c1ccccn1 1171655175 MRKFYWAIIQRXDO-SFTDATJTSA-N 443.975 4.908 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1179978381 IIHNZBVJZQXPMD-OIISXLGYSA-N 440.462 4.540 30 10 IJEE N#Cc1cc(Br)cnc1N1CCN(Cc2ccccc2)C2(CCCCC2)C1 1185666826 GEDGKZUFUYEPIL-UHFFFAOYSA-N 425.374 4.741 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CCC)CC[C@H](C(C)(C)C)C3 1188037588 DEVQXZOVARTRPJ-GJZGRUSLSA-N 447.670 4.802 30 10 IJEE C=CCC[C@@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)c1ccccc1 1192710685 REMVIAUPFGEERU-QFBILLFUSA-N 426.582 4.895 30 10 IJEE C#CCN(CC#N)CC(=O)N(Cc1ccccc1)c1nc2ccc([C@@H](C)CC)cc2s1 1193733472 FWIUPTFUYWUBNA-IBGZPJMESA-N 430.577 4.802 30 10 IJEE Cc1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c(OC[C@H]2CCCO2)c1 1205019580 CRGPVCOARWQONB-GOSISDBHSA-N 444.329 4.509 30 10 IJEE Cc1cc(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c(C#N)cc1N(C)C 1205941685 DFJDAFNNYQTAJI-UHFFFAOYSA-N 434.519 4.558 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)c1ccc(Br)cc1 1208516802 LKNTWYAZSSPIDY-IRXDYDNUSA-N 436.231 4.598 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccc(OCCC)cc3OC(F)F)cc2n1 1209582462 RJBKTNTVNPADKI-UHFFFAOYSA-N 430.455 4.934 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1 1216891002 IQWPMJKFIPMIID-UHFFFAOYSA-N 443.267 4.831 30 10 IJEE C#C[C@@H]1CCCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1229373206 VARMXTNFYBJWBA-VQIMIIECSA-N 427.545 4.691 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)NCC3(Cc4ccccc4)CCCC3)CC2)cc1 1230991417 CAHWURBSPIHKOZ-UHFFFAOYSA-N 430.596 4.579 30 10 IJEE C=CCCSCCNC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 1252772948 SLWURMPHDPWJQD-GOSISDBHSA-N 425.639 4.555 30 10 IJEE C=CCC[C@H](NC(=O)Cc1c(Br)cnn1C)c1ccc(C(F)(F)F)cc1 1266462308 IOVBVZADQQUBQB-HNNXBMFYSA-N 430.268 4.568 30 10 IJEE C=CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)CCCCC1 1272726571 WMTJUEXCMDBTPB-QUCCMNQESA-N 448.629 4.561 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)(C)C 1275502697 MCTBJOJTYNSWOB-UQBPGWFLSA-N 444.575 4.812 30 10 IJEE Cc1cc(NC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)ncc1C#N 1277609281 BHFVMTASGZAHCC-UHFFFAOYSA-N 425.286 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCCN1CCC 1286278800 GLSGRHSUKBMKID-DYXWJJEUSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1coc2ccccc12 1286303426 CHESXRLFYLVZSO-XLIONFOSSA-N 449.555 4.603 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1sc(C)nc1C 1286306275 RXOFIEJHHMRATO-AWEZNQCLSA-N 446.045 4.998 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1286445637 ABLRJHKCZUQNIP-MRXNPFEDSA-N 440.016 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CCC 1286546339 IMAFUQUCDCJMJH-VWPQPMDRSA-N 439.604 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC)[C@H](C)C1 1286667436 LEOMCOVRMARQDT-QGZVFWFLSA-N 432.012 4.740 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1286696346 AYCYNNJIBJCGJJ-HXUWFJFHSA-N 449.603 4.609 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C)c(C)s1)C1CC1 1286732317 PMZPZEQFTRLENV-OAHLLOKOSA-N 427.549 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCC[C@@H]1C 1286753019 QWUZHKMVUKHZCE-INIZCTEOSA-N 448.384 4.509 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1C 1286755125 ZSPLTHICDKUNBC-UHFFFAOYSA-N 426.362 4.581 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)c1cccs1 1286760041 IFJHVNIRVFEWHF-HXUWFJFHSA-N 449.624 4.504 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1C 1286764965 IDGBLNLXBXXIHU-AEFFLSMTSA-N 433.394 4.783 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OC)CCCCC1 1300321196 LSUBOKUPXZGTBT-FQEVSTJZSA-N 438.616 4.962 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1cccs1 1300545328 OENDLMFFZXSMIQ-UHFFFAOYSA-N 432.593 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1300888158 IHEVMTSLUBZFQI-URVUXULASA-N 443.661 4.915 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1300907088 BXZRSILHYRSKQY-HXUWFJFHSA-N 439.604 4.995 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1301001105 CIIAGPLWEOTBPE-CYFREDJKSA-N 447.624 4.569 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301055657 PVWVUQPNAHRQOA-SFHVURJKSA-N 448.995 4.792 30 10 IJEE C=CC[C@H](Cn1c(N2CCc3c(ccnc3N(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1301167790 GJLKGWFBFZARJF-OAQYLSRUSA-N 444.627 4.959 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC(C)CC1 1301223302 RANUQIIJGDFVBN-MHJFOBGBSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(CCOCC)CCC1 1301278356 LOUXBWRLRRPEMI-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1301371802 GKTTUINGMWCARQ-YRPNKDGESA-N 428.552 4.939 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2=CCCCC2)C1 1301566597 RGIONZVBMVXFTJ-JOCHJYFZSA-N 426.536 4.668 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1301602275 NWRYATAFURJHMM-DFQSSKMNSA-N 442.629 4.896 30 10 IJEE CC(F)(F)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1303933079 FSFAYHDMFGFHLD-SIKLNZKXSA-N 429.515 4.810 30 10 IJEE C=CCN(Cc1nc(Cc2ccc(F)cc2)no1)Cc1cc(Br)ccc1F 1307448409 VYUADSQOKPODLB-UHFFFAOYSA-N 434.284 4.889 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC=C(c2cccc(OC)c2)C1 1310862088 CXNXIOYNIOTWFW-UHFFFAOYSA-N 429.314 4.954 30 10 IJEE C#Cc1ccc(CNC(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1312729591 VWTJMPSLCCACIX-OAQYLSRUSA-N 440.469 4.616 30 10 IJEE CSC1(Cn2c(-c3cccc(Br)c3)nnc2N(CCC#N)CC2CC2)CC1 1316400726 HOXIRIMMYIZHCP-UHFFFAOYSA-N 446.418 4.733 30 10 IJEE CCCc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)cnn1-c1cc(F)c(OC)cc1F 1349706047 DRBJXHOQGCTOOF-UHFFFAOYSA-N 430.842 4.889 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 1352566365 BZJXXWDPVHMBQB-AREMUKBSSA-N 438.531 4.541 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 1357174206 AGQZVMQHSWJAIF-CJLVFECKSA-N 445.523 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C)s1 1358880824 UAVHNZDLKGYXLF-GFCCVEGCSA-N 433.350 4.723 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1sccc1Br 1358893233 QKKJWOABLLNTML-OAHLLOKOSA-N 429.387 4.508 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCCCC[C@H]21 1358905701 ITQWTWRJOXVFRV-VQIMIIECSA-N 430.394 4.998 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@H]21 1358918218 ODDZFJXTDWQVMZ-AQNXPRMDSA-N 427.593 4.532 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1358933920 IWIUQSBJBVLHKN-HSZRJFAPSA-N 449.643 4.767 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1358987009 ORIHZXMOBBOMKM-UNMCSNQZSA-N 439.003 4.903 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 1359048835 CDKFQOHDHRSJTA-FQEVSTJZSA-N 426.630 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCO[C@H]1CCCC[C@@H]1C 1359073079 BPMPFJQECMHMON-RZPFDVGOSA-N 436.600 4.753 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)[C@@H](C)C1 1359082266 DIFMGLMBWUNFST-KBPBESRZSA-N 428.334 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359104233 ZJESHNCMLFCDCP-HBFSDRIKSA-N 426.527 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCO[C@H]1CCOC1 1359108807 DOMBNZWPIPFSHF-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1359155553 BTZXDIUBNHMNCF-VQTJNVASSA-N 430.980 4.702 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359169183 XFIZAHWPCRJUME-HSZRJFAPSA-N 437.632 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H]3[C@H](C2)C3(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359192282 AZGDPMNYKNOVCD-RDGPPVDQSA-N 443.636 4.743 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC1 1359196657 OLBLCVYPKWOZHP-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)CNC(=O)OC(C)(C)C)C1CC1 1359248942 IQTCILWRNHNQRN-QGZVFWFLSA-N 425.577 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Br)c2)n1CCOC 1359261944 BKDQULWTRQWCPY-UHFFFAOYSA-N 433.375 4.608 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1[C@@H]1C[C@H]1C(C)C 1359279042 QCOLBMLMRPAMPY-QFBILLFUSA-N 449.393 4.572 30 10 IJEE N#Cc1ccc(OCC(=O)N(CCc2ccccc2)c2ccccc2)cc1Br 1434932380 HUBFGGDYLLAZGK-UHFFFAOYSA-N 435.321 4.975 30 10 IJEE CSc1cc(Br)ccc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1435857162 FXJWIXZKHMIHNW-UHFFFAOYSA-N 431.290 4.620 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 1458041189 UTBOILQJNBULTR-MRXNPFEDSA-N 439.606 4.993 30 10 IJEE O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccn(-c2cc(F)cc(F)c2)n1 1458402308 CGOCBPFCKJCUER-MRXNPFEDSA-N 447.310 4.785 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(C#N)c2)nc2sc3c(c2c1=O)CCCCC3 1458736242 XXNZIMQWLOAUSP-UHFFFAOYSA-N 435.574 4.760 30 10 IJEE CCc1ccc([C@@H]2CN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CCO2)cc1 1459948054 FBZLADZGHIQJKL-VWLOTQADSA-N 442.563 4.540 30 10 IJEE CC1(C)CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@](C)(C(F)(F)F)O1 1460429018 AZTUKNHENPIDPD-JOCHJYFZSA-N 432.442 4.709 30 10 IJEE C=CCOCCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1461628670 HLLKYUAKVZZZPT-UHFFFAOYSA-N 444.510 4.608 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H]1c2ccccc2C(=O)N1C)c1ccc(C(F)(F)F)cc1 1469491004 IMKCMAOTGAGMKE-WOJBJXKFSA-N 431.458 4.839 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)[C@H](c1cc2cc(Br)cc(C)c2o1)C(C)C 1470958901 HMBWPYFAMHXHTQ-MJGOQNOKSA-N 435.362 4.881 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)C1 1472150430 IAVPQZHVTCSXRM-NLFFAJNJSA-N 426.557 4.703 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccc(Br)cc1NC(=O)c1ccc(OC)cc1 1472261736 OAPRCADEYIEIFF-MRXNPFEDSA-N 429.314 4.501 30 10 IJEE Cc1sc2nc(CS[C@@H](C)C(=O)N(O)CCCCc3ccccc3)nc(O)c2c1C 1472620300 XAFZDRIMGSXXRZ-INIZCTEOSA-N 445.610 4.876 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](CN2CCCC[C@H]2C)C1 1473169618 CCFASHUVKQBJTC-HSALFYBXSA-N 442.673 4.802 30 10 IJEE CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccccc12 1474888751 ACQMZRYGCWZUQZ-UHFFFAOYSA-N 435.549 4.517 30 10 IJEE Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)cs1 1477485315 FBKUBKRTKNNABK-MRXNPFEDSA-N 449.555 4.722 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 1478321949 DKIQSAHIPGYROO-INIZCTEOSA-N 442.343 4.697 30 10 IJEE C=CC(C)(C)CCCNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 1479219375 ZSXLMSRBHYEQMU-UHFFFAOYSA-N 441.385 4.972 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2ccco2)C1)C(C)C 1502584620 HJLZXTCKCUQWBU-VXKWHMMOSA-N 433.556 4.855 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)CN1CCCC1 1507608939 OEEOPOPVZVJDKE-GOSISDBHSA-N 437.588 4.614 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CC(C)(C)C1 1507713926 CAJHVGITZXIUTG-UHFFFAOYSA-N 438.616 4.677 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1cccs1 1507758313 LSOPBYPZZVOPAW-RTBURBONSA-N 432.659 4.651 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@]2(CCSC2)C1 1507828666 MCOWMVVACROONN-LJQANCHMSA-N 437.382 4.756 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1507916194 LQWJPJPUDYCRMJ-DLBZAZTESA-N 430.515 4.670 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc2ccccc2o1 1507951154 AVRKHDQTFWDNAM-UHFFFAOYSA-N 435.553 4.618 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)N1CCC[C@@H](C)C1 1507976850 KSPNOLDUENCFRS-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)O[C@@H](C)c1cc(Br)cc2c1OCC2 1521121161 AIVJAWBUZFLGCX-ZDUSSCGKSA-N 433.298 4.875 30 10 IJEE C=CCOc1ccc(CNC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 1525527066 MQQGOUAZYAEEAK-UHFFFAOYSA-N 442.441 4.658 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(C)c1-n1c(C)ccc1C 1527806923 HVEAKDTZVFQNOS-UHFFFAOYSA-N 445.336 4.558 30 10 IJEE CCOc1ccc([C@@H](C)OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 1527929655 DWZKSNNUPOVZSP-MRXNPFEDSA-N 435.480 4.726 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC(=O)N(CC)[C@@H]2c2cccc(C)c2)cc1 1529654637 IAMHFTHRSBULOJ-RCZVLFRGSA-N 434.536 4.553 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)cc1OC 1535131455 VBHOTBBVRJSPSR-RQOTYCFOSA-N 434.580 4.692 30 10 IJEE CCc1ccccc1-n1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)nn1 1536487175 DVYUTXHQVPQRLT-UHFFFAOYSA-N 439.475 4.755 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c1 1536872156 OTYPVBYFPRZQBP-UHFFFAOYSA-N 432.373 4.782 30 10 IJEE C=CC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccccc1 1537084162 ODJVMWWGWAUBLZ-GOSISDBHSA-N 433.430 4.622 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCOC[C@@H]1C 1538985987 HISIPIGIJXXLCY-LNLFQRSKSA-N 438.572 4.943 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCCOC1 1539051794 HRTBXFLQZXWPJJ-LJQANCHMSA-N 426.630 4.942 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1539082301 QKEBLZRUBIHGJD-REWPJTCUSA-N 438.616 4.819 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1539103778 YNMVVNMKVRPVFO-OAHLLOKOSA-N 444.992 4.845 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)coc1C 1539295544 CGBHZPYVWPZGLL-LJQANCHMSA-N 436.943 4.793 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1539616479 RCMNCOITSCUQKJ-OPYAIIAOSA-N 430.980 4.694 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1539630279 DZDAULHCUVETHT-WMZHIEFXSA-N 439.560 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCC1CCN(CC(F)(F)F)CC1 1539668002 RCURPNJEZWFZRM-IBGZPJMESA-N 443.558 4.587 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@H]1C)c1ccccc1 1539766859 YEEAAWYSANIDOW-DOTOQJQBSA-N 440.389 4.994 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2nccnc2C)CC1 1539859188 LYHKGRGZDQCDHL-UHFFFAOYSA-N 441.004 4.721 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccncc2Cl)CC1 1539894730 RVGBDJBYRNNZPH-UHFFFAOYSA-N 437.975 4.571 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2CCCCC2)CC1 1539897904 MAZGEJFINIRLHH-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)OCCc2sccc21 1540158754 PILOAWDDXFRHIP-DEOSSOPVSA-N 431.565 4.545 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1=CCCOC1 1540158866 SMKGGJRSAJJEMQ-UHFFFAOYSA-N 429.362 4.541 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1540910203 AFXGBTPRWMHANT-UWJYYQICSA-N 428.602 4.650 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2c(C)noc2C)CC1 1554682508 DOAUWSFQMXKGNM-GKVSMKOHSA-N 448.571 4.621 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 1558020610 SDTXSHGMBUYEIB-NHCUHLMSSA-N 438.572 4.607 30 10 IJEE CC(C)C(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1562277857 AZRUDYPQPRLPRO-UHFFFAOYSA-N 429.480 4.662 30 10 IJEE C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1C(F)(F)F 1564373974 HWRPQZICNMBYTQ-ZWKOTPCHSA-N 446.517 4.842 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 1564913714 SIESLQCICFQKMR-BKSPAHHJSA-N 427.589 4.510 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1583549922 RLQPRDFDJNIOHV-TZIWHRDSSA-N 440.927 4.501 30 10 IJEE N#CCCN(C(=O)c1ccc2ccc(Br)cc2c1)c1ccc2c(c1)OCCO2 1584857748 AVYACVBMVCTDAT-UHFFFAOYSA-N 437.293 4.934 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(C)cc(I)c2)cc(OC)c1OC 1586956486 UCYFONXNHXYRKN-UHFFFAOYSA-N 437.277 4.598 30 10 IJEE COc1cc(NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c(F)cc1C#N 1587092141 HJDKMGXPGCADMT-NRFANRHFSA-N 431.467 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCOC(F)(F)F 1587593025 HOKXRPZZAGGSLT-INIZCTEOSA-N 448.445 4.502 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(F)(F)F)cc1 1588200074 BPUPTTHGSMZTAC-UHFFFAOYSA-N 443.860 4.524 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)cc1F 1588280893 UIUFSRBCLCAUNY-OAHLLOKOSA-N 426.536 4.917 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1589096374 BCSUZGHNFRGPSC-UHFFFAOYSA-N 431.609 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1CC(F)(F)C1 1589172153 ZPQKXCFMFHPBJA-LJQANCHMSA-N 435.316 4.745 30 10 IJEE C=C(C)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1593616494 PUNZQZIKPKRGSU-LJQANCHMSA-N 432.355 4.744 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1593914096 AOOVQZYXUXJLPD-XMMPIXPASA-N 445.007 4.914 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2CN(C)C(C)C)CC1 1594083710 UHJYWYXOKOKENR-UHFFFAOYSA-N 430.600 4.693 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1594477355 BHSNUDXJSZJUIK-UHFFFAOYSA-N 445.611 4.825 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)C(C)C 1595166330 SKNOBKXWFLBQKE-ZVDOUQERSA-N 446.590 4.699 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1Cc1nccc(C(F)F)n1 1595260314 IATPCPYROZBGRW-UHFFFAOYSA-N 428.487 4.540 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCc2cc(OC)ccc21 1595275972 UQIGITPQASYWIZ-FQEVSTJZSA-N 436.556 4.614 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC)CC1CCC1 1595844558 CWPGXXLOKXOMOC-UHFFFAOYSA-N 438.439 4.592 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ncccn2)cc1C 1597867266 CWAIPSCWHFXUSD-IBGZPJMESA-N 426.517 4.765 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 1598326989 GBWFNLVYNUCZJD-LJQANCHMSA-N 425.532 4.783 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1602995101 CXQSJJXZJUEPDT-FQEVSTJZSA-N 436.947 4.569 30 10 IJEE COc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1OC 1615300600 PEPIZIWAXIWOSU-WTGMLGSZSA-N 447.516 4.803 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 1616734281 CYQGMJWWKHCRDY-NRFANRHFSA-N 431.504 4.602 30 10 IJEE 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C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCc1cccs1 1690569603 KHEWEANGCGJZTF-LJQANCHMSA-N 426.561 4.808 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCC1 1690572153 VEAQJSOZLZUEES-UHFFFAOYSA-N 439.604 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)c(Cl)c1 1690576237 SBLDPCCKEWLNPC-UHFFFAOYSA-N 442.951 4.774 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCCc1ccccn1 1690651503 ZOIWZZIPFLHAMJ-UHFFFAOYSA-N 432.355 4.814 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1(COC)CCC1 1705483582 XUHVEJXGBYCIOP-QGZVFWFLSA-N 445.405 4.681 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(COc2ccccc2)CC1 1705514940 NYGLXLQCTGYQAM-UHFFFAOYSA-N 429.568 4.747 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1705717008 AJYQEJCRQGVKLJ-SFHVURJKSA-N 449.386 4.925 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1705762812 IZJSRPSKMKPSRH-RTWAWAEBSA-N 441.595 4.836 30 10 IJEE CCO[C@H](CCn1c(CCc2ccccc2)nnc1N1CCC(C#N)CC1)C1CCCC1 1710411921 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30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722520735 HZZZSNDZWFPTRD-FQEVSTJZSA-N 445.405 4.988 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1722520839 OOGIXDCQSQDQCW-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CCC 1722530439 FIMXNMZYCULDSY-CQSZACIVSA-N 427.412 4.987 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC=C(Br)C1 1722543004 JYQCDDARULTVNZ-ZDUSSCGKSA-N 441.732 4.799 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722555174 XETSQBBLLAVDRY-GDBMZVCRSA-N 428.886 4.861 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC2CCOCC2)CC1 1722561965 GBURRHSYUNMQTA-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1Br 1722586687 OIQDMLSVRDNRSK-UHFFFAOYSA-N 443.393 4.680 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1722602063 OVFZGBJGYFEGQY-GOSISDBHSA-N 428.577 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 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30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749027111 LERGWWYOMWLBRX-YADHBBJMSA-N 438.641 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1CC 1749119503 SSNPSUJDMIXAMY-IWQHBPENSA-N 428.552 4.917 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nc(C(C)(C)C)cs2)CC1 1749341675 LZJOLNMGBQXGOY-SFHVURJKSA-N 429.634 4.571 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC1CCOCC1 1749390987 KRHCLDHDDZOPTF-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)cs2)CC1 1749396216 XZLHUUXHFDKFNQ-UHFFFAOYSA-N 426.565 4.532 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)OCCc2sccc21 1749474523 XNMNTWYQYVQYIU-JOCHJYFZSA-N 444.988 4.779 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1ccnc(SC)c1 1749538767 LSJXRVRZUMJBFX-OAQYLSRUSA-N 435.597 4.878 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CCc1ccncc1 1749552454 CIFUJMOYRFZZGY-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1csc(COC)n1 1749563426 GPIJPINTIMCKHK-UHFFFAOYSA-N 433.940 4.567 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccco1)N1CCCC1 1749566061 VNPHFGKQFYBUDC-IBGZPJMESA-N 438.963 4.602 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCOCC1 1749744179 GFTKDUIUTPKDHQ-UHFFFAOYSA-N 441.626 4.523 30 10 IJEE CC(C)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccn1 1751276780 DXHNBKAMGSVLDK-RUZDIDTESA-N 432.547 4.511 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCC(F)(F)F)CC1CC1 1760148196 RYMRQPVEWYLUPL-UHFFFAOYSA-N 444.299 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(Oc2ccccc2)nc1 1760213400 ATHUOKMHZSZKRQ-UHFFFAOYSA-N 437.503 4.545 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCc1nc2c(s1)CCCC2 1760229173 GOCLVBGCSAGQFP-UHFFFAOYSA-N 443.979 4.775 30 10 IJEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)(C)CC=C)CC1 1760255135 CXZRMWPZPBJDML-UHFFFAOYSA-N 437.657 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCc1cccc(C)n1 1760296271 PCBMLKAWTZAYEX-RUZDIDTESA-N 433.987 4.851 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC)CC1 1760320917 ZKUJPSLYUROTGR-NFBKMPQASA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760343211 GWSYWFXXLURTTE-UHFFFAOYSA-N 439.604 4.733 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCN2CC)CC1 1760399183 CHKOWXQRWBDSEO-SFHVURJKSA-N 444.421 4.594 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760443591 JNRDEFXUOSKNFX-GOSISDBHSA-N 448.036 4.543 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760467277 XDEKRYRNHTWODV-CJFMBICVSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC[C@](C)(O)c1ccccc1 1760486486 POXJWVCBESNKNY-VWLOTQADSA-N 445.592 4.892 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H]1CCN(c2ccccc2F)C1 1760486850 BKWOONRAHKPXLC-GOSISDBHSA-N 425.577 4.760 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C1CCCCC1)N(C)C 1760487981 IUDOOBLXAVDKRI-FCHUYYIVSA-N 443.661 4.894 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CCC)C1 1760537902 SVQLWAMMUAIBCD-KKSFZXQISA-N 439.387 4.584 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C)C1 1760561036 NYVDCCDOPYRMJP-CQSZACIVSA-N 439.448 4.569 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccsc1)N(C)C 1761358580 AEEZTLHKGPETLV-JTSKRJEESA-N 445.596 4.596 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCC2(C)C)cc1C 1761805008 CJVBXKKHKDRESM-HXUWFJFHSA-N 434.588 4.714 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(C(F)(F)F)c2)C1 1765170513 HTWULXMWNUUXAX-OAHLLOKOSA-N 426.446 4.515 30 10 IJEE CO[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccc(C#N)cc1 1769564534 GIHOBRQXHDAWKO-IAGOWNOFSA-N 435.597 4.674 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCCC(C)(C)C 1769818679 BWINVUGOOFLPGJ-UHFFFAOYSA-N 432.572 4.691 30 10 IJEE Cc1cccc(N=C2S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2C2CCCCC2)n1 1772737873 PXFFYIBMKPTYDV-AATSGNOFSA-N 432.549 4.673 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1ccc(C(=O)O)cc1 1772763126 VCJCGLXDWKFEGH-UBLAJHMLSA-N 443.322 4.937 30 10 IJEE CCCCCCCCn1cc(O[C@@H](C)C(=O)Nc2ccc(CC)cc2)c(=O)cc1C(=O)O 1857890057 GHHZILNZEDQFLM-SFHVURJKSA-N 442.556 4.875 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C/c2cc(F)ccc2F)c(C(=O)OCC)c1C 1860403849 SBOUMAALAMLBOX-RMKNXTFCSA-N 435.448 4.506 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(NC(C)=O)ccc2CC)cc1OCC 1860728540 PERZOSXFWGXCFO-XYOKQWHBSA-N 438.524 4.616 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 1861461798 UVBRZVRVRWSANJ-HSZRJFAPSA-N 427.564 4.819 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc2nc[nH]c2c1 1861751489 RTYHSUZSQHLABE-HSZRJFAPSA-N 438.547 4.520 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccc(F)cc1)c1cccc(O)c1 1862591000 SMYWEJFBOMKBMP-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)c(OC)c1 1862692744 SXBMQXPQIRTOHH-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CC(C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867123258 UNDKFFORGLFDRX-FQEVSTJZSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C 1868991744 GWDPBBWUHWMLPU-SANMLTNESA-N 437.584 4.801 30 10 IJEE C=CCOc1cn(Cc2ccccc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870244139 BJJHMYDJFOVGSA-UHFFFAOYSA-N 431.561 4.946 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCCCC1 1870680926 BOODOROSHRXWDT-UHFFFAOYSA-N 447.664 4.880 30 10 IJEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O 1871367640 VCODQQOWGWLPJE-UKWGHVSLSA-N 442.254 4.989 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871453851 VCNKNSGDUNMABA-UUYOSTAYSA-N 430.416 4.537 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCOCC2)n1 1871478496 ACCMQDSHOMDUFQ-UHFFFAOYSA-N 426.609 4.735 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871780896 SXRMUZRSOLBVCQ-HNNXBMFYSA-N 441.380 4.814 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872056115 JMPMBMXPBKHXAA-QFIPXVFZSA-N 446.588 4.981 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 1872266209 QAPGNFNVYQRRJN-MRXNPFEDSA-N 430.954 4.525 30 10 IJEE Cc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873296740 KZGIJGMGLVPQIC-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccccc2n1Cc1nc(O)c2ccccc2n1 1873514230 NBDHYAFSAONRSK-UHFFFAOYSA-N 438.487 4.877 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1ccc(OCC(C)C)cc1 1873710856 WXNHUYRLYQRVJF-UHFFFAOYSA-N 449.576 4.724 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1 1874204949 CDVMOUKTTQOIIT-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1 1874400018 GFLRTTWINVXSKW-OJWZXOLNSA-N 447.608 4.853 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1O 1874402300 RQGCXZARXGGLFM-CVKSISIWSA-N 448.523 4.788 30 10 IJEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874407607 GRTGOHYGXGYEQI-YDZHTSKRSA-N 430.574 4.674 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(F)cc1 1874436733 OTVKJNZELSXIAT-ZVHZXABRSA-N 425.533 4.619 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(O)c2)c1C 1874452061 BPYVYGXSHCAXCF-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c1OC 1874464461 KQUXSYHQLRCHFV-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE Cc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCCO2 1874581744 DRYBDJXNZPXSFW-ZRDIBKRKSA-N 429.472 4.680 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3OC)c2)c1 1874698763 MSVVTGPIZQQXRE-ACCUITESSA-N 432.472 4.757 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)cc2OC)CSc2nnc(C)n21 1874825888 KMEKSVZMKDXDTJ-LJQANCHMSA-N 432.590 4.666 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)c1ccco1 1875147832 NKTRPOOHNQMWLK-VQHVLOKHSA-N 446.455 4.903 30 10 IJEE CCN[C@H](C#Cc1cccs1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1900756760 FZJHRPKMVCZPMU-BWAGFHJFSA-N 428.598 4.576 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(C1)CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 1912208380 RRWKHKWERLSERF-UHFFFAOYSA-N 434.541 4.607 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2cccc(Br)c2Cl)C1 2063052602 ZSXSRMCNBDDFSY-OAHLLOKOSA-N 430.770 4.867 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 2102333631 VTVHDWMGCACHCC-UHFFFAOYSA-N 438.377 4.969 30 10 IJEE CC(C)(C)OC(=O)NCc1ccsc1C(=O)Nc1ccc(C#N)cc1Br 2124689583 WTWXAXUQRITZCQ-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2c2cc(Br)c(C#N)cc2F)C1 2174768635 DRKJFWDBQUAZCO-SUMWQHHRSA-N 438.341 4.686 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1ncc(Br)cc1C#N)c1ccccc1 2175022932 QUVMOQDRBQOSNL-KRWDZBQOSA-N 431.334 4.736 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cc(Cl)ccc2Br)CC1 2201807289 SLFSLXHSSXTTJH-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE CCCN[C@](C#N)(COc1ccc(OCc2ccccc2)cc1)C1(Br)CC1 2206627763 GXUXOWWJOZTLIV-JOCHJYFZSA-N 429.358 4.834 30 10 IJEE CCCc1ccc(C#CC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1 2223323672 CNSDQNWNTHKNGK-UHFFFAOYSA-N 434.580 4.587 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@@H](N)C#Cc3ccccc3Br)ccc21 2235724963 GVBROQXJQHXSRQ-IBGZPJMESA-N 427.342 4.798 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C 2235731524 QLUUFXNWOCTGPM-OXQOHEQNSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2267499553 VMSJYOHRDLZUNS-UHFFFAOYSA-N 444.381 4.709 30 10 IJEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@]3(O)C=CCO)[C@H]3CCC4=CC(=O)CCC4=C23)cc1 2294931047 RCOWGILQXUPXEW-IFJBLKETSA-N 447.619 4.932 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2296298043 GAWKKPZMZXGBHQ-UZLBHIALSA-N 435.406 4.672 30 10 IJEE O=C1C(=Cc2cc(Cl)ccc2O)SC(=NN=Cc2cccnc2)N1Cc1ccco1 2314819376 ZDTQVSVONHYWQY-UHFFFAOYSA-N 438.896 4.540 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2-c2ccco2)cc1OCc1ccc(Cl)cc1 2321903954 VMAWOPNAEUMLPY-UHFFFAOYSA-N 440.912 4.950 30 10 IJEE COc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1 2322016483 VQBBQZFCOQDIAG-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(OCC)ccc1OCC 2322860615 LPRFBRIYRUOSQH-UHFFFAOYSA-N 445.943 4.939 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCCO)cc1Cl 2322884224 CBJOOZVLWXVFJQ-UHFFFAOYSA-N 441.307 4.677 30 10 IJEE CCOc1c(Cl)cc(C=Nn2c(COc3ccccc3)nnc2SC)cc1OC 2323589933 WRKBVYWQPLEAIJ-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCCCO)c([N+](=O)[O-])c2)cc1OCCC 2323745266 PQHJKYLHSMGFGU-UHFFFAOYSA-N 443.496 4.830 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(OCCCO)c(OC)c2)cc1 2323933789 ZVXAQAIMYXQXJW-UHFFFAOYSA-N 449.341 4.904 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)ccc2C1=O 2325019338 LWRZTLGFSUZRTJ-KRWDZBQOSA-N 429.472 4.568 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)s1 2325447224 XRDOOHRJDIGZEI-OAHLLOKOSA-N 449.532 4.740 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4c(F)cccc4F)ccc3C2=O)c1 2325507226 UKAXJMRFKFDTFK-UHFFFAOYSA-N 437.398 4.607 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325511676 ISLDCCWOWAHYSX-UHFFFAOYSA-N 429.477 4.548 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccccc1Cl 2325552643 NVIWKTGECUKNBC-UHFFFAOYSA-N 432.933 4.828 30 10 IJEE CCN(CC)CCOc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2325703108 WHCGMCQDFBRTKY-UHFFFAOYSA-N 429.900 4.543 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OC)c1OCC 2326677602 RINAMDKQHFTAQN-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2328568706 QWDAUKXESZWEAE-UHFFFAOYSA-N 425.514 4.560 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccco2)cc1 2328573891 HCIRMUYQBBFQEH-UHFFFAOYSA-N 436.512 4.979 30 10 IJEE COC(=O)c1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccco2)o1 2330100138 JXHUNFAMRIXZNA-HNNXBMFYSA-N 436.493 4.577 30 10 IJEE Cc1ccccc1COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCO)cc1 2330880255 DSERANRBPMEOTQ-UHFFFAOYSA-N 438.597 4.721 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cnccn1 2331135951 DTGUMMSZPUAQMA-UHFFFAOYSA-N 434.879 4.982 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2331299235 LHXWNQISGBHQRH-UHFFFAOYSA-N 447.520 4.703 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(CC)cc1 2331340176 VBLVLHYCTWCFIZ-UHFFFAOYSA-N 427.618 4.606 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)[C@H]1CCCO1 2331870050 WWPSEWVTHMBGAM-XMMPIXPASA-N 432.472 4.838 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2339574219 FECRQCOFSWHWDC-HGZMWJMZSA-N 442.365 4.505 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2339703785 UEITVOINEFRYMM-IRXDYDNUSA-N 427.383 4.886 30 10 IJEE N#CCCN(Cc1ccc(I)c(Br)c1)c1ccccc1 2377251036 BZFHVFKCXHQCSX-UHFFFAOYSA-N 441.110 4.974 30 10 IJEE CCCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)OC)C3)cc1 9446720 GQKQEOLYYYMIAZ-UHFFFAOYSA-N 427.526 4.566 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 21722157 QDUFZIJELHXZHW-XMMPIXPASA-N 449.551 4.668 30 10 IJEE C=CCOc1ccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCC)cc1OC 39911853 CXOYQFHKNFUHKW-DEOSSOPVSA-N 447.535 4.928 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCN(c3ccc(F)cc3)CC2)C1=O 41585603 QUZXYABDXALDCW-XYGWBWBKSA-N 444.506 4.778 30 10 IJEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(O)c([N+](=O)[O-])c3)nc21 64981213 DNGCLRWNPQPCGZ-OEAKJJBVSA-N 433.472 4.620 30 10 IJEE CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(C#N)cc2)c1C 85711205 KAESONIAFFZKHD-UHFFFAOYSA-N 445.519 4.531 30 10 IJEE C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\c2ccccc2F)cc1OC 96568752 AQQGHDGLVBDLJR-BUVUWQSRSA-N 425.500 4.620 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 102594582 VCDMBBYQXKOFMV-FEYWKWKCSA-N 447.462 4.859 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)cc2)cc1 169926055 VFPCKOBYMQICGH-DEOSSOPVSA-N 438.483 4.912 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)cc2)ccc1F 169958558 IZLMJHKIDRRFDC-OAQYLSRUSA-N 439.389 4.901 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 169961796 DIWNSBJYENAHTA-NRFANRHFSA-N 435.863 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170077927 AYNXZWANCXSFJX-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2C)cc1 170088817 QYWWDINBNUQGQL-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(C)o2)cc1C 170100064 CLAKQGXZFSPKKL-HSZRJFAPSA-N 446.503 4.754 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170102171 VSSCEZRHNCTVCP-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170114890 RVBFPBXWIPZAAH-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(OC)c1 170126765 WEDRDBNFEMOWHX-QHCPKHFHSA-N 431.488 4.845 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)cc1 170131047 MBQPKLVUBBFDQK-QHCPKHFHSA-N 431.488 4.549 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1 170135465 PLPBXZNFHHXRNO-NRFANRHFSA-N 441.911 4.965 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170184457 QOYYOQFSTNFSLP-LJQANCHMSA-N 426.806 4.796 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)c1 170184771 MEDBHEUEKGNICV-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2)cc1 170222429 YGFALCADYJYCRQ-QHCPKHFHSA-N 437.536 4.725 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1C(C)C 170230697 SGKJFVIXWBVFEC-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)cc1C 170292456 YSYWLJQGRPLESA-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2c2ccccc2O)o1 170301021 RXWPESYKTRAFRF-QHCPKHFHSA-N 429.472 4.955 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1cccc(F)c1 170313714 XDIXJBYOJPLYIW-FQEVSTJZSA-N 435.476 4.913 30 10 IJEE C=CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=Nc1ccccc1 252636302 XGSJNCTVUFUYCB-UBLAJHMLSA-N 445.338 4.953 30 10 IJEE CC(C)CCOC(=O)CSc1nnc(N/N=C/c2cccc(Oc3ccccc3)c2)[nH]1 253566971 JOYJICPEALKKMS-OEAKJJBVSA-N 439.541 4.724 30 10 IJEE CCOc1ccc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(C)C2=O)c(OCC)c1 254763622 OTVHFNMNVZWDBK-KHSCPFDSSA-N 440.521 4.504 30 10 IJEE N#CC1CCC(CNC(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)CC1 441022050 LLNCPORJRJWLPY-UHFFFAOYSA-N 448.567 4.613 30 10 IJEE C=CCOc1ccc(CNc2cc(F)ccc2N2CCCN(C(C)=O)CC2)cc1Cl 448351537 AQBMFLDDRVQFOT-UHFFFAOYSA-N 431.939 4.715 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(Cc1ccc(C#N)cc1)C(C)C 463509010 YWKMBZGWINGIDF-UHFFFAOYSA-N 429.549 4.777 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)NCC3CCN(c4ccccc4)CC3)s2)cc1 471118134 AKOKIXHQFPCEIH-UHFFFAOYSA-N 431.565 4.644 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 505011551 XFDTUGAMFHFAEL-GOSISDBHSA-N 428.602 4.709 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(NC(C)C)CC1 508462009 RHSTWLDIRALNRU-UHFFFAOYSA-N 449.574 4.816 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CN2CCCCCC2)C1 508497896 OFGCUZWOEWSPOQ-JOCHJYFZSA-N 432.616 4.560 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OCC)c(OC)c1 526825501 XCEPSAZKFHTRPH-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C[C@@H](c2ccccc2)O1 549125803 URRNUKJEGYTNOW-CPJSRVTESA-N 435.531 4.831 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2ccccc2F)C1 559003813 GFZCVGBLOHICCM-OYDLWJJNSA-N 448.542 4.816 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 564380246 WSQRXMFEBIKEOI-UHFFFAOYSA-N 432.597 4.870 30 10 IJEE CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)[C@@H]1C[C@@H]1C 569731142 ZFJJBXUBOBJRPC-QMHKHESXSA-N 426.476 4.759 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 570346588 NAVJJJPZAFAOTO-XMMPIXPASA-N 445.542 4.883 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccccc1 574260001 SBHALHRJIJSWIU-IBGZPJMESA-N 427.508 4.761 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1cccc(I)c1 698965666 FUWSNJREXPJOFN-CQSZACIVSA-N 441.273 4.793 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC1(CCOCc2ccccc2)CC1 702880465 RJTGPYRDLNJFLO-UHFFFAOYSA-N 428.370 4.938 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)c1cc(Br)c2c(c1)OCCO2 710767064 OXHYQXVKZMWXPC-INIZCTEOSA-N 437.334 4.965 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 733202728 WLVPETFJEZDWPW-GOSISDBHSA-N 447.894 4.602 30 10 IJEE C/C(=C/C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 749621150 SSDWLCNJQRPVMM-CPPNXCSESA-N 445.466 4.521 30 10 IJEE C[C@H](ON=C(N)c1cccnc1Oc1ccccc1)C(=O)N[C@H](C)c1cc2ccccc2o1 749790539 DESXAPHWMQMASU-SJORKVTESA-N 444.491 4.523 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 789717941 BHBYLXUGAOXHCR-UHFFFAOYSA-N 430.545 4.714 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 803082926 PDIOAVAUFYWJLD-GFYPRVCPSA-N 427.545 4.636 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 918172531 CCKVKMODEPRDQI-GOSISDBHSA-N 437.565 4.839 30 10 IJEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n[nH]2)cc1 1083942737 UHDJJEAOKUGRMZ-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccs2)N2CCC[C@@H]3CCCC[C@@H]32)c1 1088664609 GXLHMYMCBYDTSS-JXFKEZNVSA-N 427.570 4.863 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Cl)ccc2Br)CCCN1C(=O)OC(C)(C)C 1127358196 NIQAJGXBMKHPPE-LJQANCHMSA-N 441.753 4.834 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2=O)cc1Cl 1128781193 FRQAXMFZUCIKJB-NSHDSACASA-N 446.866 4.751 30 10 IJEE C=CCC[C@@H](C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC)c1ccccc1 1133368921 DNJNXFJQOBRCNY-UXHICEINSA-N 435.442 4.536 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1C#N 1136362585 BSBBZWBORLAQFV-QHCPKHFHSA-N 434.609 4.756 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c(OC)c1 1136585301 YYSWSATXSJTULU-UHFFFAOYSA-N 427.504 4.662 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCC(=O)c1ccc(OC)c(OC)c1 1141986960 RMQFDLPPIFFVEL-UHFFFAOYSA-N 448.313 4.633 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(C(=O)c2cccc3ccccc23)cn1C 1148499847 OWPHKZKLGQBMKW-UHFFFAOYSA-N 426.447 4.813 30 10 IJEE C=CC1(CC(=O)N2CCc3nc(-c4ccccc4)sc3C2)CN(C(=O)OC(C)(C)C)C1 1165588572 WJADKDFTEMYFJX-UHFFFAOYSA-N 439.581 4.508 30 10 IJEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)Cc1ccccc1 1170093742 FBZOTIMKRSDHGU-UHFFFAOYSA-N 442.584 4.932 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 1196502869 DJHFIKUWTWKDAJ-UHFFFAOYSA-N 427.448 4.982 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 1207170588 YCZLSCVSFFIUIX-UHFFFAOYSA-N 436.535 4.888 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1226074725 FTKIUGAKVFGNTC-IBGZPJMESA-N 430.577 4.875 30 10 IJEE CCc1ccc(C2=CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)cc1 1230417859 CSUYNAHSGOPZCR-UHFFFAOYSA-N 430.552 4.705 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)OCc1cc(Cl)ccc1OCC#N)C1CCCCC1 1252361987 PFHXJTNHTJEKMH-LJQANCHMSA-N 436.936 4.759 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)Oc2cccc(Br)c2)cc1OC 1265581144 RKFQSPGERHVDOG-SOGBHIHOSA-N 446.341 4.619 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1286335823 SYJHFRQYUIETTN-HXUWFJFHSA-N 433.021 4.889 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1286533970 NKKKBMLJWXHAIU-HXUWFJFHSA-N 433.419 4.750 30 10 IJEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(Cc1cccs1)C(C)C 1286592169 NYANOOFJPHVWST-UHFFFAOYSA-N 448.596 4.728 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCCCC[C@H]21 1286608911 VIZYWMHKJIBACT-XMSQKQJNSA-N 430.543 4.899 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1286621385 HEFWCWJKPZQXNJ-OAHLLOKOSA-N 432.355 4.909 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1286679086 KALGVBSOBUZYBO-FQEVSTJZSA-N 447.974 4.723 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2C[C@H]1CO2 1286682045 BHIRPETYYAIGEN-HOTGVXAUSA-N 435.341 4.571 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1ccnc(OC2CCCCC2)c1 1286754166 RJVSRUHRKBRRFG-UHFFFAOYSA-N 432.572 4.617 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)cc1 1286766544 RTGLFBLVCSPVSD-UHFFFAOYSA-N 433.581 4.819 30 10 IJEE C=CC[C@H](CC)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1297109368 XTGFOERNDJZCAR-AWEZNQCLSA-N 427.353 4.879 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300393067 BFDZOMQIRNJTDT-QFIPXVFZSA-N 430.600 4.903 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(c2ccccn2)CCC1 1300520646 IICGPJSNGVJKMN-UHFFFAOYSA-N 437.591 4.832 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@@H](c1cccs1)N1CCCC1 1300572212 RKHCQMYXNRHFAG-QHCPKHFHSA-N 443.620 4.615 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1ccsc1 1300602337 QHBGLMYYPRMUJD-KSFYIVLOSA-N 444.988 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(c3ccccc3Cl)CC2)nnc1C(C)(C)C 1300896992 MQPVOEUFOAGSRK-NQIIRXRSSA-N 444.023 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1300924604 DWBKCCJQQVPONC-FNAHDJPLSA-N 431.669 4.720 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@H]2C[C@H](F)C2)CC1 1301110001 RASMEUFYBAUGIT-JCNLHEQBSA-N 436.373 4.587 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCOC2(CCOCC2)C1 1301198882 TUPRAUJPBGGZSJ-UHFFFAOYSA-N 442.629 4.621 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301211324 FKIRLKXZRXPFQY-UHFFFAOYSA-N 426.870 4.913 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccc(Cl)cc1 1301310117 KUAFRNHQZQWVBU-PWIZWCRZSA-N 432.996 4.940 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC(F)(F)CO1 1301349149 GAIPFEAYNFCQGB-KRWDZBQOSA-N 432.446 4.602 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(SC)CCC2)C1 1301541674 BMHNNWVEVWILNT-MRXNPFEDSA-N 436.984 4.805 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)C[C@H]1C 1305205298 HMEGPNPYILIZMA-LMMKCTJWSA-N 429.515 4.646 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1306449502 HYWXJOHCWMLMJN-RYFAJOAYSA-N 437.588 4.559 30 10 IJEE C=CCn1c(SC[C@@H]2CN(C)C(=O)O2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1307245723 KOLVCWDCZMKZME-CVEARBPZSA-N 446.642 4.886 30 10 IJEE C=CCN(Cc1cccc(Br)c1OC)[C@@H](Cc1ccccc1)C(=O)OCC 1308687376 AJWJCGKOYJXMQY-FQEVSTJZSA-N 432.358 4.620 30 10 IJEE C=CCCC[C@@H](NC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)c1ccccc1 1311723686 VBGXGYROYKXNDR-TYBLODHISA-N 449.595 4.833 30 10 IJEE CCCOc1cccc(CCn2c(-c3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1313513901 AYXSHIGNAAHTSJ-VWLOTQADSA-N 430.556 4.502 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1358383808 APXFHGCMWUYMIJ-UHFFFAOYSA-N 443.519 4.757 30 10 IJEE C=CC[C@]1(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1358407760 ZVTHXWXEPOQCSJ-HSZRJFAPSA-N 436.955 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CCCC1 1359067542 SCIPBPXXAQFDCA-JOCHJYFZSA-N 443.389 4.899 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1359076490 CWLFGILQPZSCST-AZUAARDMSA-N 446.437 4.799 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccco1 1359085435 NXVXFXRDKIZMGR-QGZVFWFLSA-N 431.309 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC 1359104312 ZYLPQTPIFXSAPM-LIRRHRJNSA-N 425.360 4.601 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1359118856 HYAAZEDYPBZKGG-IBGZPJMESA-N 443.345 4.763 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC2(CCC2)C1 1359129504 DIMQXXOLGTYHSG-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOC(C)(C)C2)CC1 1359161879 URJYHDWBSMJHTH-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2csc([C@H](C)OC)n2)CC1 1359162008 ZPYKMXQKMQALJV-HNNXBMFYSA-N 429.977 4.967 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359211809 PHGQDJJBBYMMPW-GCJKJVERSA-N 428.577 4.568 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359224133 HPSBUISTPLCPIN-RHSMWYFYSA-N 428.886 4.826 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(C)nn(-c2ccccc2)c1C 1359245382 MYFWAHLSJQEBLW-FYYLOGMGSA-N 448.615 4.670 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC2(CCCC2)C1)C(C)C 1359265508 HIUUJJRCTRNWMO-HSZRJFAPSA-N 434.632 4.809 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCC1(C)C 1359279243 YKTOYNPCXJVUHF-FQEVSTJZSA-N 434.588 4.800 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1359345819 RNLNEPGLJPBRKV-UHFFFAOYSA-N 437.613 4.831 30 10 IJEE CC(C)CC1(Cn2c(COc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1359773936 DLQGENCTPBTFEV-QHCPKHFHSA-N 425.552 4.953 30 10 IJEE COC(=O)[C@@](C)(NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 1359913150 FGNPJOKHUDRSMQ-DEOSSOPVSA-N 434.879 4.822 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 1361271737 ZZANSIGUSZKFGS-GJZGRUSLSA-N 435.446 4.531 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 1436641299 IQEISVBORJJJAQ-ZFWWWQNUSA-N 439.350 4.598 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1c2ccccc2C(=O)OC12CCC2 1436641530 SEANPHOSKVMUQF-LJQANCHMSA-N 442.309 4.829 30 10 IJEE C#CC[C@@]1(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)CCCN1C(=O)OC(C)(C)C 1438341118 BSXKIJZAIZRHPY-SXOMAYOGSA-N 436.596 4.865 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(F)cc(C#N)c2)nnc1-c1ccc(Cl)cc1 1438461542 ACMCKJMBUJNFRY-UHFFFAOYSA-N 427.892 4.526 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1ncc(-c2ccccc2)[nH]1 1442316482 YYCSZFUFYUSGDR-RTBURBONSA-N 426.561 4.894 30 10 IJEE C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)c2N1 1442465641 GWZHKTSGGWNMCD-SJKOYZFVSA-N 442.401 4.502 30 10 IJEE N#Cc1cc(F)c(N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1Br 1458308678 HQOPHCGXYVVBAT-UHFFFAOYSA-N 428.349 4.952 30 10 IJEE CC(C)CN(CCc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3)Cc1ccc(C#N)cc1 1459373908 ARNUQVRMOUVOBB-QGZVFWFLSA-N 433.625 4.971 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)s1 1459809989 MYTOMCDKLSRHFV-PKOBYXMFSA-N 448.057 4.982 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](Cc2ccc(Br)cc2)C1 1460135954 BEYWYHNBYANFIL-GOEBONIOSA-N 446.776 4.866 30 10 IJEE C#CCN(CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1)C(=O)OC(C)(C)C 1464368738 FSBWAAQZVDCCPZ-UHFFFAOYSA-N 427.570 4.916 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3cccc(C(N)=O)c3)C3CC3)cc2)cc1 1465437562 IFBOWXQQHLKYQJ-UHFFFAOYSA-N 426.476 4.646 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)CCOCC1 1465745786 SAHIJALFGSNFAW-UHFFFAOYSA-N 444.553 4.519 30 10 IJEE CN(C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1 1469883817 HGOSVQZVDGTRRJ-BHDDXSALSA-N 444.501 4.789 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1470074413 JWOQJMBTKXRRHK-WMZHIEFXSA-N 426.582 4.969 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(Cl)cc1F 1470667801 SQGUWOFJKYHLAQ-IAGOWNOFSA-N 432.845 4.544 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(COc2ccccc2)cs1 1470721014 YZGJTNBPCOKQGD-SFHVURJKSA-N 431.558 4.910 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CC[C@@H](C(F)(F)F)O1 1472934670 KNTRSEKHTOLMAT-CABCVRRESA-N 433.883 4.899 30 10 IJEE C=CCOc1ccc(CNc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1Cl 1474141669 PNVJPDWPRLFSKA-UHFFFAOYSA-N 426.941 4.733 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc(OC)c1OC 1476238061 YFDBNGDOAMCUJJ-UHFFFAOYSA-N 440.931 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCCS1 1507521113 KPEHVSWXECAADJ-ZFWWWQNUSA-N 437.382 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1507538040 ZKCRORWKJOOJHW-NJYVYQBISA-N 442.051 4.738 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1nccs1 1507559043 WWJHKZRIPMQCOH-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1507560306 GCERDGHHIPQDFL-CTNGQTDRSA-N 428.602 4.570 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCCCC1 1507681397 TUQPQUMXHLFMHZ-UHFFFAOYSA-N 428.989 4.968 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(OCC2CC2)c1 1507682701 UEUVQUHICMWGQM-UHFFFAOYSA-N 443.595 4.934 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](C)C1 1507714296 MACUEJABIIMSAV-ZWKOTPCHSA-N 433.021 4.746 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C=C)CC1 1507746687 SLDDDPTXHAYEMG-QGZVFWFLSA-N 431.005 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@](C)(OC)C1 1507920103 SFWZGOWUFNQTMP-VWLOTQADSA-N 426.605 4.680 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1507931083 RSOZXOKDBWNCGZ-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1csc(C)n1 1507969832 IDZXMDQNLUYZOK-UHFFFAOYSA-N 432.597 4.982 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1507985672 AMRRAOSZPJHLPL-SFTDATJTSA-N 439.648 4.798 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1508004059 IQDVCOJBWDXXEE-QYZOEREBSA-N 447.505 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1508017939 KJRSCYNTIOWTBR-VWLOTQADSA-N 431.540 4.722 30 10 IJEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1517200519 HNNINVXVQNVTNP-ZWKOTPCHSA-N 433.478 4.869 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCCCCC3)n2Cc2cccc(C(F)(F)F)n2)cc1 1521089426 CYEVZPWPYOTZNR-UHFFFAOYSA-N 426.446 4.659 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)CCC2CC2)ccc1Cl 1521712242 IJKDQDHPIUCOGU-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE CC[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1cc(F)cc(Br)c1 1523557825 HPWIMIFMYJOGIG-AUUYWEPGSA-N 448.311 4.693 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cncc(Cl)c1)c1ccc2c(c1)OCCO2 1524357923 KSWNLZLDPMBKJE-UHFFFAOYSA-N 436.895 4.918 30 10 IJEE N#Cc1cccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1Br 1525912919 FAMCSNSIHCAMMX-UHFFFAOYSA-N 427.298 4.542 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1527043774 FFAVAQWWYMEFQH-UHFFFAOYSA-N 443.469 4.536 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)C)c(OC)c1 1529669224 SNSVDEPHABLUJT-UHFFFAOYSA-N 427.541 4.647 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccccc1 1530132865 GEWUSRZSYKNONX-NRFANRHFSA-N 433.305 4.806 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)c2ccccc2Br)nnc1-c1ccco1 1533390689 GDJRSGLWKWVYHJ-UHFFFAOYSA-N 447.358 4.632 30 10 IJEE CN(CCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)c1ccncc1 1534595201 IBIUFVUSZWYWHP-UHFFFAOYSA-N 448.910 4.890 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1[C@@H]1C[C@H]1C(C)C 1539305765 OBHABTLVDBZBPF-AZUAARDMSA-N 425.374 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1539632916 VTIFHCBFBCDOBA-CTNGQTDRSA-N 443.661 4.997 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCSC2(CCCCC2)C1 1539743349 CXUYATVUTKEILE-UHFFFAOYSA-N 430.593 4.933 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C(F)(F)F)CC1 1539891413 BGCWXAIBFRPXAA-UHFFFAOYSA-N 427.474 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 1539900345 MHGFXNGWUDLEOW-UHFFFAOYSA-N 448.615 4.884 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1 1540140661 QSSCMXSSANJODW-UHFFFAOYSA-N 446.624 4.947 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCCOCC1)C(C)C 1540148509 YBGKFRJUJCONAU-JOCHJYFZSA-N 444.023 4.524 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2ccc(OC)cc2)C1 1540895229 NLCHYAJKKGAWAC-QHCPKHFHSA-N 438.616 4.779 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CC2CCN(CC(F)F)CC2)cc1 1542118666 DPJAUJOHQLSYPR-UHFFFAOYSA-N 429.486 4.593 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1OCCOCC 1542470010 ZXXOPJAHGGPLIL-INIZCTEOSA-N 447.359 4.730 30 10 IJEE N#CCn1c(C(=O)NCC2(c3ccc(Br)s3)CCC2)cc2ccccc21 1544396906 CTHFLMGFHKNGKJ-UHFFFAOYSA-N 428.355 4.841 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 1556783922 FMSHNKUNCDQIGG-GOSISDBHSA-N 442.560 4.612 30 10 IJEE C=CCn1c(SCc2occ(C(F)(F)F)c2C(=O)OCC)nc2sccc2c1=O 1559333263 LEAXLXDRUSPFAO-UHFFFAOYSA-N 444.456 4.725 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H](N4CCCC4)C3)c2C#N)C1 1559483975 CIAMLHWITYQSAL-RTBURBONSA-N 442.673 4.660 30 10 IJEE C#CCN(Cc1cccc(OC(C)(C)C)n1)[C@H]1CCOc2ccc(Br)cc21 1559544840 IULUGCBDQFPDSU-IBGZPJMESA-N 429.358 4.980 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2sc(C(=O)OCC)cc2c1 1561646622 CJDSRGYBYIXRNK-GOSISDBHSA-N 429.563 4.544 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)c2ccc(OC)c(F)c2)cc1 1562263427 NRHRIHNAXTXQKK-UHFFFAOYSA-N 425.504 4.705 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CC[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]3C4)cc21 1563315565 MSMYJRGHSJXOJG-LRQRDZAKSA-N 439.560 4.522 30 10 IJEE C#CCSCCNC(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1564114055 BNZODFOICALGSV-IBGZPJMESA-N 440.462 4.630 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1 1564799139 ZMILQNWXJCCIJI-FQEVSTJZSA-N 445.382 4.537 30 10 IJEE C#C[C@H](NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1)c1ccc(Br)cc1 1564999657 NBZMJCVPECLUHT-IBGZPJMESA-N 442.744 4.957 30 10 IJEE C=CC[C@H](C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1)c1ccccc1 1583212530 QVZWRMFMMCCAQG-VWLOTQADSA-N 438.015 4.813 30 10 IJEE C=CC[C@H](C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)c1ccccc1 1583223137 QJOSUIRKQCHNTK-IBGZPJMESA-N 431.349 4.592 30 10 IJEE COCCn1ccc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc21 1583597825 GJRHNJGFUQJVQJ-UHFFFAOYSA-N 425.488 4.991 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](CC)C2CC2)nnc1-c1ccc(Cl)cc1Cl 1584779830 JDYBUWBFABAXRY-MRXNPFEDSA-N 425.385 4.835 30 10 IJEE C#Cc1cccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)c1 1585011749 LKVNIBJIPODZAX-UHFFFAOYSA-N 445.375 4.662 30 10 IJEE N#Cc1cc(F)cc(C2(C(=O)Nc3nc4c(OCC(F)(F)F)cccc4s3)CC2)c1 1586040942 GRZIOUJWWVTOMQ-UHFFFAOYSA-N 435.402 4.918 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nccs1 1587561628 FWEJXSCXKVFURW-HZPDHXFCSA-N 429.977 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1cccnc1)C(C)C 1588198306 OHEDTTZGPYXFKC-RUZDIDTESA-N 425.580 4.805 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)CCOC 1588198472 VCOVICVSMUMRPD-UHFFFAOYSA-N 433.383 4.778 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@@](C)=O)CCC1 1588276795 ZIPIWTCJAHDVSD-GDLZYMKVSA-N 447.029 4.574 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCCS1 1588594565 IROPYLLMFUKNRY-MJGOQNOKSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN1CC 1589150588 HLURZCXLCQJYTK-LJFZDNNRSA-N 442.007 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1C 1589259322 LQFVHROVWXOTFV-AJGMTHFWSA-N 441.620 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1589640880 BHHDGCHDYAELQS-LJQANCHMSA-N 446.599 4.628 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1593807068 HUYURQBQSCFXIQ-SNRMKQJTSA-N 436.959 4.950 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1593914897 RJKLGOHHBBLZGR-QGZVFWFLSA-N 434.878 4.747 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1594536318 WGHDEBAKEMHDMD-HFZDXXHNSA-N 448.615 4.686 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1594720186 FMKFDMKCNUSCCR-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C#C[C@H](CCC)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1596985775 VLWPVUMNAJYGGL-HSZRJFAPSA-N 446.572 4.614 30 10 IJEE C=CCN(CCc1ccco1)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 1616683932 NYCNVQZHQSFSTR-UHFFFAOYSA-N 426.520 4.802 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 1618590265 VLNTWZOWKMWXGP-YTTGMZPUSA-N 442.544 4.847 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1 1620239839 BYKDUHMWIUJXEA-QUCCMNQESA-N 427.643 4.682 30 10 IJEE C#C[C@@H](N[C@@H](C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)C(C)(C)C 1621365966 DIXNXGYXFZAPSF-QFBILLFUSA-N 426.582 4.946 30 10 IJEE C[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1c(F)cccc1OC(F)(F)F 1621956720 AIEHZDNUQBKRAW-SNVBAGLBSA-N 445.356 4.653 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC[C@H](CC)Cc2cccc(Br)c2)cc1 1622928662 GBTDOWMUXQAGMG-MRXNPFEDSA-N 444.373 4.755 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 1625130933 SOYUHHBIVSCUMD-NRFANRHFSA-N 443.588 4.891 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1627870953 SMGKIVKBRADVEQ-AREMUKBSSA-N 426.495 4.817 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](CC)c2ccc(F)cc2)CC1 1633874046 YQCSCHUEMDKJEW-YADHBBJMSA-N 447.595 4.671 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(C)cc2OCCCC(C)C)c1 1635815301 PBWAITQRLRRTOV-UHFFFAOYSA-N 441.593 4.537 30 10 IJEE C=CCCC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cc(C)ccc1OC 1640582054 BERPOPWXIDFXFS-UHFFFAOYSA-N 428.941 4.984 30 10 IJEE N#Cc1cc(OCc2nc(-c3cc(Br)cs3)no2)ccc1Br 1641464879 FLTNAVDIFYYJJQ-UHFFFAOYSA-N 441.104 4.774 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCCc3cccc(-c4ccccc4)c3)n[nH]2)c1C 1642170686 RGACFOGWEPSIDY-UHFFFAOYSA-N 425.536 4.716 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC(F)(F)C1 1649604889 BHAXCGTURLOLLI-FDDCHVKYSA-N 443.542 4.985 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cccc(C(=O)N3CCSCC3)c2)cc1OC 1650700741 CNAFZEIPTIUNML-UHFFFAOYSA-N 432.973 4.715 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(OC)c(-c2ccccc2)c1 1659852240 CBZBNAGGWXGYQA-UHFFFAOYSA-N 438.501 4.680 30 10 IJEE C=CCn1cc(CNC(=O)Nc2ccc(-c3ccc(Br)cc3)c(C)c2)nn1 1660991565 VGGHPOAPRXYBNB-UHFFFAOYSA-N 426.318 4.524 30 10 IJEE COC(=O)[C@@H](C)Oc1ccc(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 1663730389 BFQPKSVKQCWEEJ-LJQANCHMSA-N 432.495 4.840 30 10 IJEE COc1ccc(C[C@H](NC(=O)Nc2ccc(OC)c(C#N)c2)c2ccc(OC)cc2)cc1 1664152433 DAKSQPVPHGSLQI-QHCPKHFHSA-N 431.492 4.690 30 10 IJEE COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)N1CCCCC1 1666978907 CWEQIMWYGOFCSY-GVAUOCQISA-N 446.595 4.704 30 10 IJEE C#Cc1cccc(NC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)c1 1667090539 SSFWAGVVGMGNML-FQRUVTKNSA-N 428.532 4.875 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 1668752934 SVEFYNMYZABAQE-AVRDEDQJSA-N 433.508 4.535 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ccc(Cl)cc1 1669583554 ZPRLBBVNAOPCGN-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1 1670678385 FFGCPKCJQVZWCF-UTKZUKDTSA-N 429.923 4.981 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1671186609 AXOBTUCPEMEIIU-UHFFFAOYSA-N 444.620 4.650 30 10 IJEE C[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 1673275637 CPWKOWFGVDEDTG-IBGZPJMESA-N 427.508 4.656 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H]3CCCCCN3C(=O)OC(C)(C)C)cc21 1675099148 XDAOJSNTTKWFJA-IBGZPJMESA-N 427.549 4.524 30 10 IJEE C=C1CCC(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(OC)c2)CC1 1675872533 QTHUZPMWRGITCB-JOCHJYFZSA-N 443.588 4.745 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1679251825 GOTJWNHRTIFQER-CCQQUTMYSA-N 428.573 4.663 30 10 IJEE C=CCC[C@H](NC(=O)N(C)CCCNC(=O)C1CCC1)c1ccc(C(F)(F)F)cc1 1679305475 NHZOTUHWLMALGQ-IBGZPJMESA-N 425.495 4.661 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 1680532762 HEUYOWWVVWFEOS-WKILWMFISA-N 447.341 4.782 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(Cl)cc1F 1681469571 FHMZJIPOZHIRHT-APWZRJJASA-N 449.954 4.775 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12)[C@@H]1CCCO1 1681592697 HVRIDBMKVCJFTC-RSXGOPAZSA-N 428.532 4.741 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1683734422 UWWFXVQUVIGYOT-XMMPIXPASA-N 445.563 4.802 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CC(C)(C)OC1(C)C 1684345078 KDIGOBKYQPPFAB-HNNXBMFYSA-N 427.358 4.880 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)c1ccc(Br)cc1 1684980351 BSSSAWPLWCZNIB-GUYCJALGSA-N 431.334 4.615 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@H](c1cccs1)N1CCCC1 1689863130 NIKJISDROUHLGK-IRLDBZIGSA-N 449.624 4.522 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1nc(C(C)C)cs1 1689865561 XIDQGLJXBXGSDM-QGZVFWFLSA-N 425.627 4.965 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1689915114 QBJKUZCNOPEDGE-SANMLTNESA-N 426.568 4.896 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)COC 1690193540 MDICEFYNFJYXPY-TVVUZDRGSA-N 445.007 4.963 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccsc1 1690470386 AFMJNTPYMBWXRQ-UHFFFAOYSA-N 429.977 4.526 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690515403 MBBQURFQWOXYBF-NRFANRHFSA-N 439.604 4.842 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC(C)(C)SC 1690556302 SONUXFWMNNPULX-UHFFFAOYSA-N 425.602 4.626 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC1(CCOC)CCCC1 1705677153 CZSIBHOHTDZSLC-RUZDIDTESA-N 436.600 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C)CCOCC1 1705713333 BNXUTILWWHOXLI-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC=C(C(C)(C)C)CC1 1705724478 QJKZYUWILWEWLA-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1csc(CC)n1 1705872063 JVDOFWPRZYCALU-UHFFFAOYSA-N 432.597 4.877 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705886932 WMOMUTQAYYSERY-GOSISDBHSA-N 431.968 4.620 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(C)(C)SC)C1 1705915064 ACLHEANYHLWONF-FQEVSTJZSA-N 426.630 4.671 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)SC 1708947131 AUCOROXFQHJIOT-UHFFFAOYSA-N 427.618 4.691 30 10 IJEE CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc2c(s1)CCCC2 1709978212 GPTARXLUEBFJTO-UHFFFAOYSA-N 434.613 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(C)[C@@H](C)CC 1722275165 CIACWSOJTINXFQ-UFYCRDLUSA-N 446.039 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1c(C)noc1C 1722282767 RHNQYGSTWDYQOG-UONOGXRCSA-N 442.361 4.574 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CC(F)(F)C1 1722285344 RREVDMUKKORHKH-INIZCTEOSA-N 426.467 4.620 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@H](SC)C(C)(C)C)c1 1722306118 YGBJYBOYKCVFLB-PXNSSMCTSA-N 441.645 4.626 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722519177 NFRKKGQVBQBYMG-SVFBPWRDSA-N 444.023 4.937 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1722519527 JZXLNVBNOIUPGV-UXHICEINSA-N 438.576 4.520 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC[C@@H](COC)C1 1722520713 GVWDXXJEASRFPY-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nccc(C(F)F)n2)CC1 1722562587 FCKRIMKFOIBLDQ-UHFFFAOYSA-N 446.889 4.539 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)c2ccccn2)CC1 1722569690 KLGAXOSRUVLHSY-UHFFFAOYSA-N 431.584 4.949 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1722594371 KLVDZJIBTWYQGO-HSZRJFAPSA-N 431.584 4.689 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1F 1722664124 QSXWOGKYUQJRSB-ZWKOTPCHSA-N 442.560 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)c1cccs1 1722667013 ZJCAVSXFEMXOPK-DEOSSOPVSA-N 434.609 4.896 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1CC1(N2CCSCC2)CCCCC1 1722673147 JXXLVUPOYXBXJT-UHFFFAOYSA-N 439.673 4.573 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C(CC)CC)N(C)C 1740603377 QOYAZPUFESPGAX-PXNSSMCTSA-N 427.662 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(OC)CCC(C)CC1 1740654886 XBIILWLNGTUUCZ-UHFFFAOYSA-N 439.003 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C)[C@H](C)CC 1740724760 ILFIYOHPBHQIKS-LIXHSBQKSA-N 437.632 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(CC)C1CC1 1740726217 WBTHTCCLLJDEEE-HOYKHHGWSA-N 442.007 4.548 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC(NC(=O)CCCCC)CC1)c1ccccc1 1740798898 USLNBXWZMOYDRC-UHFFFAOYSA-N 435.616 4.924 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2cccc(C)n2)CC1 1740835711 BZFIEVNGTMDJMX-UHFFFAOYSA-N 437.975 4.956 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740852567 PLRWTKHTAZTEHM-DOIPELPJSA-N 431.669 4.718 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOCC1CCOCC1 1740894349 QHJGMLXQLWRVRS-UHFFFAOYSA-N 444.645 4.731 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740920957 ZMICFWVJRXKGNG-MRXNPFEDSA-N 433.622 4.743 30 10 IJEE CC(C)(CN1CCCC1)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1741260034 GPFLTHNWMTUCHM-DEOSSOPVSA-N 441.023 4.851 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@@H](C)CC#N)o1 1745319209 CMFCESSHJVJJNJ-AWEZNQCLSA-N 442.951 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC[C@H](F)C1 1748679622 GNCLIOISFJGPOR-BJLQDIEVSA-N 432.971 4.848 30 10 IJEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1748702709 BIERJPSZJGXJLE-IBGZPJMESA-N 442.629 4.557 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1749106663 HQXBPNJDABHMFV-LSDHHAIUSA-N 428.378 4.741 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCCCC1 1749115260 OJKKLULPNCICBA-RBBKRZOGSA-N 437.588 4.509 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CCC(C)C)CC1 1749288300 QTQPAWPEUHXERM-VWLOTQADSA-N 434.588 4.679 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cc(C)no2)CC1 1749311219 JJIWAWOHLSRWPC-UHFFFAOYSA-N 434.327 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(C)s2)nnc1[C@@]1(OC(C)C)CCOC1 1749377104 LQSURIWWIGABAM-HSZRJFAPSA-N 432.634 4.927 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CCC)C1)c1ccccc1 1749384624 FBQVOKDWPBMECP-ZEQRLZLVSA-N 448.615 4.505 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC[C@H](OC)C(F)(F)F 1749541232 KAZOUJDINQUCBB-IBGZPJMESA-N 449.452 4.639 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CC)C1 1749747011 SCUZPZPWIMPFIJ-HNNXBMFYSA-N 427.401 4.786 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2csc(C(C)(C)C)n2)o1 1751487202 FXSXRJJXRJXQTP-QHCPKHFHSA-N 438.601 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(F)cn1 1760101436 PSGUQHIHJUHHEP-ZDUSSCGKSA-N 425.920 4.854 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1760134020 XSQHPOIFQNHFDP-ISKFKSNPSA-N 444.627 4.711 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1760237711 SGANPJGRWLRVPV-QPPBQGQZSA-N 438.616 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1760288400 BEESHSXQTRMVRR-UMEGOILYSA-N 443.636 4.963 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1760369093 FGDLNHYVBXHPMN-INIZCTEOSA-N 449.983 4.729 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760422895 NVVYBHQSPIMORK-QHCPKHFHSA-N 445.615 4.759 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CC[C@@](C)(CC)O1 1760478064 TURMKFDKRHLUAJ-ATIYNZHBSA-N 447.583 4.889 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1=CCCCC1 1760504483 QTULBNIYOCHILE-UHFFFAOYSA-N 449.368 4.986 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H](SC)C(C)(C)C)C1 1760545098 NJOSLSZZCBEREB-UWJYYQICSA-N 439.629 4.985 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1CC 1760564805 HUTXEQBEFDODIR-MOPGFXCFSA-N 449.665 4.691 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1760974142 DNVNFKCWDAPGCE-UNMCSNQZSA-N 435.597 4.966 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCC=CO1 1761605753 GMDRFJPQSGERJO-LPHOPBHVSA-N 434.569 4.666 30 10 IJEE Cc1nc(C)c(Cn2c(Cc3ccc(F)cc3)nnc2N(CCC#N)CCC(C)C)s1 1762253826 DEPKXEQXGPUELH-UHFFFAOYSA-N 440.592 4.896 30 10 IJEE COc1ccc([C@@H](Cn2c(C3CCCC3)nnc2N(C)[C@@H](C)CC#N)N2CCCC2)cc1 1768432066 FTMHBIZFWAHOEE-WMZHIEFXSA-N 436.604 4.520 30 10 IJEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=NN=Cc2cccs2)N1Cc1ccco1 1772756741 BONCIBYGNYEWES-WPILSZEVSA-N 438.490 4.756 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 1772790517 PQHTTZXXWWCOHS-IBGZPJMESA-N 425.412 4.553 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861764746 WFBLZASRWUDCBA-WQEMPZKUSA-N 430.589 4.638 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(O)cc2)cc1C 1862401076 STSBZUXGVCEJEH-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(CC)cc1 1862431558 JWFUKADPMWQMCN-NRFANRHFSA-N 427.928 4.907 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 1862474788 UZZGNZYGMTXLOR-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862679679 JXFFJPDBPVKXBU-SZNDQCEHSA-N 427.472 4.610 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 1862686997 DVBTZZSLEIPHIB-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CC(C)Oc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862769138 SYGLEXXWCGRBAH-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(F)cc2)C1=O 1862777343 YDJQZZLAEGIVID-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)cc3)C2=O)c1 1862900583 VKDOCBIZXALIDN-UHFFFAOYSA-N 425.513 4.985 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)c1 1863130282 FVCOFSVTUPVEMI-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCc2ccccc2)C1=O 1863755462 RGILVRLZGFQCIA-UHFFFAOYSA-N 434.580 4.968 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 1864210428 MJTYDTAHJHEWKV-JOCHJYFZSA-N 442.563 4.555 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc[nH]1 1864918983 FTDJJTSAYVUHJW-HXUWFJFHSA-N 441.620 4.745 30 10 IJEE COc1cccc([C@H](C)CC(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)c1 1867113401 OKZZTYOYFBAXIR-CJAUYULYSA-N 427.504 4.557 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OCC)cc2)n(-c2ccc(C)cc2)n1 1870001012 KKVIGVDSWABPFQ-SFQUDFHCSA-N 443.551 4.805 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(OCC)c2)cc1 1870159272 DSNKODSDRHWXRU-UHFFFAOYSA-N 433.512 4.749 30 10 IJEE CCCCCCCOc1cn(CCc2ccccc2)c(CN2CCN(CC)CC2)cc1=O 1870409576 XFJLJKNRIGMPPC-UHFFFAOYSA-N 439.644 4.578 30 10 IJEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN2CCC(CO)CC2)cc1=O 1870412867 LQBHZPXRZFODAW-UHFFFAOYSA-N 440.628 4.759 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CC)CC)cn1CCCCCCCC 1870630255 LCKHPGACTREKSJ-UHFFFAOYSA-N 445.648 4.630 30 10 IJEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(OCC)cc1 1871209480 IHYRKFASURHTDT-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O)C(=O)Nc1ccc(F)cc1 1871400964 QGEQCNNZOKNZLA-DNPFKWNUSA-N 446.478 4.914 30 10 IJEE COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O 1871408673 FMRJXWRXXXMWGB-GMDDEGIZSA-N 439.851 4.964 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)cc3C)ccc2C1=O 1871418812 OSOOJRNWYJJWLV-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)o1 1871439421 YKJCBXMVUYZTOA-XKZIYDEJSA-N 434.444 4.969 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871879805 YEBKIPQFHHNDGY-LJQANCHMSA-N 441.380 4.978 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1cccs1 1871907823 LFAAGXKHVHHUHF-LJQANCHMSA-N 436.599 4.521 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872145139 LCSGFCLLKCDQAS-QFIPXVFZSA-N 429.586 4.621 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872310675 AQTHYXSGQKNSQE-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872384876 PUMBXIRIMWQRFL-HRAATJIYSA-N 436.524 4.503 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)CCC 1872613992 WXLDRIPNODKUBW-HSZRJFAPSA-N 449.661 4.665 30 10 IJEE CC(C)(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)n1 1872767801 AODZIKKBRODHGX-LJQANCHMSA-N 443.528 4.727 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N(C)CCCC)ncnc21 1873665974 WOQWHOKHZSEFNF-UHFFFAOYSA-N 427.936 4.768 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(O)c1 1874232514 WPQYPMLBAAWJNL-PCLIKHOPSA-N 432.549 4.925 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1F 1874237371 FHOUUNPPKRPTEZ-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874279945 VRZRJIVHVHJENW-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE OCCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874381365 OWTGOOPYGHUAJN-FSJBWODESA-N 439.343 4.672 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874425628 RZYDCZNIJBNZGC-ZMOGYAJESA-N 445.951 4.580 30 10 IJEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cccc(O)c1 1874472858 AHZWJJWTSBABIO-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE C=CCSc1nnc(CCOC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874473201 RUNXBCHYJDQBJE-BUVRLJJBSA-N 442.972 4.860 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1Cl 1874483902 UFOODKVHICCHAB-WYMPLXKRSA-N 445.951 4.981 30 10 IJEE CCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2cccc(C)c2C)cc1 1874534628 RYQQLDHSOIHRNI-AFUMVMLFSA-N 437.569 4.687 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874697987 FRJXQDBXDQQMJN-WUXMJOGZSA-N 448.387 4.627 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(Cc3ccc(OCC)cc3)n21 1875040168 DGNJAEFEBCGFDW-SFHVURJKSA-N 430.618 4.977 30 10 IJEE C#C[C@@H](C)N1C(=O)NC(=N)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875686962 NMYXUHPYYNQXJJ-CLOONOSVSA-N 439.515 4.910 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)cc1I 1901934945 ATAQSCKXTKWTGZ-AWEZNQCLSA-N 449.716 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1922104645 SVHZNYYGRWDIBQ-UGKGYDQZSA-N 442.522 4.927 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C 1944716322 GZSPIRGGTBFWAM-FUHWJXTLSA-N 431.533 4.728 30 10 IJEE N#Cc1ccc([C@]2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1 1951689062 JYRAHELRZLCZIG-MHZLTWQESA-N 438.483 4.535 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1965283409 FHUHGQMLMUQOBA-OUDXUNEISA-N 444.575 4.812 30 10 IJEE C#CCCCC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2005505255 PQILNXXGIFOXLN-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2009499220 HVIPYMWTALJAFJ-QHCPKHFHSA-N 431.508 4.860 30 10 IJEE C#CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(NC(=O)OC(C)(C)C)ccc1N 2025295157 STTPHOCFQYLHQM-HSZRJFAPSA-N 433.549 4.549 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC2(C)C)c1 2040575773 FMBSHGWORJGYBD-XMMPIXPASA-N 445.560 4.976 30 10 IJEE O=C(O)c1cnc2c(-c3cc(C(F)(F)F)ccc3F)c(C(F)(F)F)nn2c1Cl 2081158716 CSTBWGNTTQWLDJ-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(c3cc(Br)cc(C#N)c3)C2)C1 2174812608 MUHJJNRBYAFDII-NRFANRHFSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181140968 GVXJXPAIYWWRPJ-NVXWUHKLSA-N 436.350 4.733 30 10 IJEE CC[C@@]1(C)CCSC(=Nc2ccc(Br)cc2I)N1 2223679637 RWSUTDRYIHIRQP-ZDUSSCGKSA-N 439.160 4.936 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2235733219 ZTYXXXGLGWAYCC-UGKGYDQZSA-N 435.406 4.672 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 2235734634 WZJMVEDYXCZSQS-PMACEKPBSA-N 435.406 4.862 30 10 IJEE C#CC[C@@H](CC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237413417 FZEKUHZSVMSOCN-HKUYNNGSSA-N 434.374 4.894 30 10 IJEE CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255529074 HVDIGTFRPMKUMQ-NRFANRHFSA-N 426.410 4.516 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2255617573 WAZOXFSICNKSMK-JSRAGOMMSA-N 427.394 4.701 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C 2261821361 TXGATZQBGYSMIR-DMJCMNNJSA-N 447.572 4.655 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1 2267015628 QTNCGGPOYHZPIY-IBGZPJMESA-N 437.389 4.681 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(F)cc(Br)c2F)C1 2272733925 OHNGDZOKCMRDCI-INIZCTEOSA-N 431.321 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(Nc3ccc(C#N)c(Br)c3F)C2)C1 2280145608 KLZXWYRRYGEPNK-WLYUNCDWSA-N 438.341 4.907 30 10 IJEE C=CCCC1([C@@H](NC)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2281032743 MNCQKXBNOJQJLE-SFHVURJKSA-N 439.394 4.922 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3cccc(OCc4ccccc4)c3)c(F)c2)OC1(C)C 2281790227 RYKBFJKSYJWQIX-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC1(C)OB(c2cccc(F)c2C(=O)Nc2ccccc2OCc2ccccc2)OC1(C)C 2281792483 WAUATQXUGZDYDN-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2296220248 WFSCGAJIJFVLIR-VQTJNVASSA-N 431.374 4.558 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@H](O)C#Cc3cccc(Br)c3)(CC1)CC2 2296229080 GNFVGZOWPRZWDC-OSFYOIPJSA-N 434.374 4.779 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)[C@@H](O)c1cc(Br)c(Cl)s1 2296282099 SFUFHLBGGMVTHO-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2296293355 ISMUWVMHIWLTFQ-WOUAJJJCSA-N 435.406 4.670 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCN1C(=O)OC(C)(C)C 2296297803 CTXJPZLJGLQHRC-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 2296298040 GAWKKPZMZXGBHQ-JXFKEZNVSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@@H]2C[C@H]1CC21OCCO1 2309252891 UVEMPOJRCPHPTK-AVYPCKFXSA-N 449.345 4.626 30 10 IJEE Fc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccccc3F)cc2)cc1 2321979038 UJHZHCPDEAVCKU-UHFFFAOYSA-N 436.487 4.897 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)OC(=Cc2cccc(C)c2)C4=O)cc1 2321997529 DDFGXYOVHRZARY-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)NCc3ccco3)c2)c(OCC)c1 2323288716 NOUMPGOTVHGGBF-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE CCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1cc(OC)c(OC)c(OC)c1)C2=O 2323739780 NKQVOAQPXXFDLV-UHFFFAOYSA-N 426.465 4.733 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCCOc4ccc(OC)cc4)ccc3C2=O)cc1 2324675383 LPXQESKTGMXXCA-UHFFFAOYSA-N 446.455 4.556 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325081390 DZHSHAFGXIALQW-SFHVURJKSA-N 425.437 4.630 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2325715242 VCNKNSGDUNMABA-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c(F)cccc1Cl 2326945255 AMZOKBQDKLVIFX-UHFFFAOYSA-N 448.995 4.796 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)cc1 2329246852 LNYUYKJYHRXJGP-UHFFFAOYSA-N 429.549 4.755 30 10 IJEE CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(Br)ccc1O 2329381345 MULUTXWWSUKKCG-UHFFFAOYSA-N 431.359 4.558 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(OC)c2)o1 2330667660 BNLMQEYLIVFHOU-UHFFFAOYSA-N 448.504 4.508 30 10 IJEE COCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc(Br)c1 2331549958 OVVQCCRUOHIJBA-UHFFFAOYSA-N 431.359 4.670 30 10 IJEE CC(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cc(Cl)ccc1O 2331689820 HKMLAWYPSQJDHN-UHFFFAOYSA-N 431.905 4.843 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2sccc2C)cc1 2331729122 YEBOEVHIMKCPHW-UHFFFAOYSA-N 425.583 4.701 30 10 IJEE CN(CC1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1)C(=O)OC(C)(C)C 2339591171 XVHFJGDNVHDESU-UHFFFAOYSA-N 444.381 4.752 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339602239 HSOMTCNHUAZMDZ-SFHVURJKSA-N 444.381 4.893 30 10 IJEE N[C@H](C#C[C@@H]1CC1(F)F)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341044063 AVJKSYBYCASJAR-PLXFJCCSSA-N 449.497 4.864 30 10 IJEE CO[C@H](CSCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)C(C)C 2349827600 CQSMXROXOXCMSP-QGZVFWFLSA-N 429.229 4.653 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2359701612 RJJNSOATISHQGJ-SXKCCIOGSA-N 433.390 4.602 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2360195842 DWMQPWYDJCTVCM-OJAHFUOMSA-N 433.390 4.567 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN[C@@H](C)C(=O)O 2134609 WSZZGSWXNSKKNT-PDFKZLLCSA-N 431.573 4.727 30 10 IJEE biogenic CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C#N)c2=O)CCCC4)cc1 8593238 RBRCSRMDSBADJI-UHFFFAOYSA-N 441.556 4.575 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1ccc(CC)cc1 14125893 GISYFNRPUKBVNZ-UHFFFAOYSA-N 436.581 4.953 30 10 IJEE Cc1ccc2c(c1)C(N1CCCN(C(=O)c3cccc(C#N)c3)CC1)=Nc1ccccc1O2 96499474 XMDRKTRZTJGFET-UHFFFAOYSA-N 436.515 4.899 30 10 IJEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 102526088 QWLJMEJVNWTCKM-LCPUNJGISA-N 427.928 4.706 30 10 IJEE CCc1cccc2c(C(=O)COC(=O)c3ccccc3N/C=C\C(=O)C(F)(F)F)c[nH]c12 104590676 QZNZMMGDIXDIGE-KHPPLWFESA-N 444.409 4.827 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccn1)c1cccc2ccccc12 169999551 PCUXVLSJKZEVRK-QHCPKHFHSA-N 446.466 4.894 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2)c1 170036607 ZEARUJPJRCGTHB-FQEVSTJZSA-N 434.517 4.942 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)c1 170058261 YBSUPVDOWZDDNX-RXVVDRJESA-N 425.912 4.714 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)c1 170084023 VTHYJDXDGYZBDA-XMMPIXPASA-N 438.483 4.970 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)cc1 170186607 FWBOKYJFESFFPC-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)cc1C 170191261 KLMZUAFXXLTAEE-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1 170204162 ICWYIXAWFJPCSM-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccncc2)c(C)c1 170205671 VLLOJFMVJPMKPJ-XMMPIXPASA-N 440.499 4.806 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)c1 170236941 XUAMTWYIDYDOHF-NRFANRHFSA-N 441.911 4.878 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)c(OC)c1 170282615 GLIUHWBZKUYBRU-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2)ccc1OC 170440618 PWILKGGWUKELOG-HXUWFJFHSA-N 429.900 4.872 30 10 IJEE C#CCCOc1ccc2c(c1)c(CN1CCC(O)CC1)cn2Cc1ccc(Cl)s1 248140456 BPDVZGNCCZXGKV-UHFFFAOYSA-N 428.985 4.763 30 10 IJEE CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=Nc1ccc(Cl)cc1 252607853 HFLXHEGURSFWHQ-IUKYACNJSA-N 448.729 4.659 30 10 IJEE C=CCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)csc1=Nc1ccccc1 254450826 WJFKXXRJKLQRAC-UHFFFAOYSA-N 427.595 4.666 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(F)ccc1Br 315651392 XSIBYBAFLPSIIK-UHFFFAOYSA-N 427.111 4.653 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1CCC 407023287 QQPLGKPGXRHRNI-CVEARBPZSA-N 429.403 4.566 30 10 IJEE C=CCN(C(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)c1nc(C(=O)OCC)cs1 433413672 MCVOPTONVKFFPF-LWYUSKRHSA-N 442.503 4.988 30 10 IJEE CCN(CC)C(=O)Nc1ccc([C@@H](C)NC2CCC(Oc3ncccc3C#N)CC2)cc1 437106522 HPCZCCAMIPGFFO-FBHNJWQJSA-N 435.572 4.868 30 10 IJEE N#Cc1cc(N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccc1C(F)(F)F 480094968 MMPTZYIPQSTEDH-INIZCTEOSA-N 439.441 4.936 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)c1cc(F)ccc1F 489646779 ZLCZXFRLQJXYFK-HNNXBMFYSA-N 429.492 4.993 30 10 IJEE N#Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 526674648 DXULJVYGUCEASZ-UHFFFAOYSA-N 429.863 4.573 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(Br)cc1 526828550 HRIFOKAXIGTITO-JAIQZWGSSA-N 446.330 4.686 30 10 IJEE CCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(C(=O)OC(C)C)o2)c1 526831629 VCUUDKXIPMEQTR-QRVIBDJDSA-N 442.541 4.572 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2c(F)cccc2Cl)nnc1-c1ccccc1OC 541287798 XATWQJZHYNXZIG-GOSISDBHSA-N 447.919 4.939 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 549182825 LNAZGKVJVNXUEY-UHFFFAOYSA-N 435.959 4.980 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)cc1Cl 557276369 ALRPUJNIFCGVRA-KRWDZBQOSA-N 434.883 4.894 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C 567173252 SYQROWWBCVFKDI-UHFFFAOYSA-N 435.549 4.529 30 10 IJEE O=C1CCCCN1c1ccc(C#CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 585240388 PPIQMAAPZZTXNY-UHFFFAOYSA-N 434.967 4.837 30 10 IJEE O=C(N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1cccc(Cl)c1 585827243 WUVBJVHGMOMMRW-RJGJNRFASA-N 437.754 4.780 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccs2)cc1 619853909 GGRNLWNCVTUDJO-HSZRJFAPSA-N 439.560 4.706 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720812027 GCKXOTQEWAAGQF-JOCHJYFZSA-N 442.520 4.619 30 10 IJEE N#CCSc1ccccc1C(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727412095 AGLFKMSDTSYCKU-HXUWFJFHSA-N 425.941 4.544 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)c2)s1 740034333 CGDNEWKQNZYKMG-UHFFFAOYSA-N 448.567 4.890 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)c2)s1 740037214 DHDVIAOFXHENGF-JOCHJYFZSA-N 444.604 4.998 30 10 IJEE COc1cc(C[S@@](=O)Cc2cccnc2Cl)ccc1OCc1cccc(C#N)c1 751457411 LQNCAMDFHIXKAV-GDLZYMKVSA-N 426.925 4.643 30 10 IJEE O=C(/C=C\c1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc(C(F)(F)F)nc1O 783704992 FBJMAEIXJPYPMI-KTAJNNJTSA-N 429.185 4.590 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1=S 783967744 FHUWWVOHHDQTFB-HNNXBMFYSA-N 444.008 4.670 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(NC(=O)Cc2cccc(C#N)c2)cc(C(F)(F)F)c1 785432807 BYGUCWINGYTDFE-UHFFFAOYSA-N 433.430 4.783 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCOC[C@H]2CC(F)F)c1=S 795727426 CFCBLUNQAPCTHV-GOSISDBHSA-N 436.572 4.878 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(Nc2cccc(Br)c2)CC1 807467181 MWEZJURGWUZJNZ-NRFANRHFSA-N 440.385 4.670 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C1 810195244 CROHDDUVXJRFIM-KRWDZBQOSA-N 432.952 4.713 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)CCCN1C(=O)OC(C)(C)C 819093279 WCMDTFNPGBVJNA-FTGWLVSGSA-N 441.572 4.732 30 10 IJEE COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)c1 863939612 FNKXNUFSRCCDFK-KRWDZBQOSA-N 442.471 4.504 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1124442803 QBVRAIKBABXSNP-HXUWFJFHSA-N 428.554 4.634 30 10 IJEE C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1125313387 HILZIAOXCORJLU-FQEVSTJZSA-N 435.568 4.595 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1126567384 BIVUHKDPQJLDBT-FQRUVTKNSA-N 425.532 4.991 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CC(C)C)CC2CCN(C)CC2)s1 1132879632 RSVUSCLUEBMQJW-UHFFFAOYSA-N 430.083 4.665 30 10 IJEE C=CC[C@@]1(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1138077039 GJSCEMVFFHSDIA-CVDCTZTESA-N 434.964 4.586 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)c1C#N 1141632508 FDFXZYCUMGJZDL-QGZVFWFLSA-N 434.609 4.714 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 1144004100 RQDBCQDUIPKEGF-KGLIPLIRSA-N 432.735 4.710 30 10 IJEE C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1161579006 YIGMWRGDZYXIBF-HNNXBMFYSA-N 436.961 4.719 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)c2c1 1189649201 FHCFMVUIGZEXLT-LBPRGKRZSA-N 430.291 4.678 30 10 IJEE CC#CCN(C)CC(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC 1194731977 GWKOCCRBOQJODT-UHFFFAOYSA-N 439.364 4.792 30 10 IJEE CC(C)CN1CCC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 1199686551 GPYQRSOKNQAVSJ-NRFANRHFSA-N 438.547 4.766 30 10 IJEE COC(=O)c1n[nH]c2ccc(NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc12 1200595229 HJZZOSQEEWBFJK-HNNXBMFYSA-N 439.475 4.771 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](c1ccccc1)[C@@H](O)C(C)C 1206203879 XNDUKNCZZMGDKN-UXHICEINSA-N 433.346 4.894 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)[C@@H](OC3CCOCC3)c3ccccc3)cc21 1209767045 BCDHYKNSZKTSHU-MHECFPHRSA-N 434.540 4.669 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 1220668826 BXVLUGJVDPUSIP-UHFFFAOYSA-N 438.575 4.608 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1252479722 RUWKMHZRIJHMAX-PKTZIBPZSA-N 449.913 4.703 30 10 IJEE C=CCN(C(=O)C[C@@H]1CCCC1(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1264307908 RWCSZLUTBSZZNU-HNNXBMFYSA-N 440.537 4.558 30 10 IJEE C=CCc1cc(CNC(=O)C(C)(C)c2ccc(Br)cc2)cc(OC)c1OC 1264831086 JOUOHLMVOILDBB-UHFFFAOYSA-N 432.358 4.789 30 10 IJEE C#C[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1F 1275497596 FSMAAUQBRPZUJW-UXHICEINSA-N 449.751 4.869 30 10 IJEE C#C[C@H](NC(=O)C[C@H](C)CCc1ccc(I)cc1)c1ccccc1 1277181547 UZVVEGVSKHPJMH-UZLBHIALSA-N 431.317 4.741 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1scnc1C 1286317685 QBSOOSMNAPOUMR-KRWDZBQOSA-N 427.549 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1cc(C(C)(C)C)no1 1286437932 PESBBJAHIOPAIX-UHFFFAOYSA-N 442.361 4.501 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1286600218 KBAPSCMROMXPSA-UZLBHIALSA-N 436.959 4.755 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ncc(CC)s1 1286602824 AVJDTJFMOMMGHN-UHFFFAOYSA-N 431.993 4.847 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1286670302 DDJLSOGRTPCFKG-HXUWFJFHSA-N 435.616 4.794 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1286686415 HDCAHPFLGAPLGH-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286695796 JGBUWYHKBRAVAR-LJQANCHMSA-N 445.901 4.816 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286771701 IRVGHIWCARLJRO-GOSISDBHSA-N 432.515 4.799 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCC(F)(F)F)C1 1286807706 FPTQMBGHQRXMBD-KRWDZBQOSA-N 447.461 4.724 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 1286825266 IGDASBPPSOOGKH-KBPBESRZSA-N 439.398 4.858 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCCC[C@H](SCC)C1 1286830929 WTUBIEYOGSYITB-SFHVURJKSA-N 432.659 4.985 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1291413192 IBDFQWYJVBXHGD-DVECYGJZSA-N 442.567 4.567 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 1294976646 LMBYZWCYOMAYRA-XZOQPEGZSA-N 436.552 4.598 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCOC(C)(C)C 1300421943 COLXYXUXFRFFRJ-UHFFFAOYSA-N 439.387 4.829 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC=C(Br)C1 1300930341 AFMOHWTYSZRQBC-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1301088792 GCPUEAIKLVFISZ-GOSISDBHSA-N 445.633 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301155306 LREMXHIJCXFKHK-QFIPXVFZSA-N 435.547 4.583 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1301282823 LNXVLMSHFPGXCJ-NHCUHLMSSA-N 432.616 4.874 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCCC1(C)C)C1CC1 1301313460 AJIMENHNHYQQLV-BXKMTCNYSA-N 428.552 4.653 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1 1301474694 FYNUXLBIQKNXSK-DHIUTWEWSA-N 438.616 4.816 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1303641820 DYRPLEVMHFNOFA-AWEZNQCLSA-N 433.940 4.692 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 1310374412 PEVXXPGFUCMDSM-UHFFFAOYSA-N 429.923 4.525 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2OC)cc1 1312336022 NJRWGVWXPKMHEM-RUZDIDTESA-N 432.520 4.857 30 10 IJEE COCCC1(Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@H](C)C#N)CCCCC1 1315986239 BAZXZZWYZUXTBO-HXUWFJFHSA-N 448.615 4.933 30 10 IJEE Cc1cccc(F)c1-n1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2c1CCC2 1354303632 AWAKPPFEMQVKON-UHFFFAOYSA-N 430.527 4.979 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc2cc(OC)ccc2c1 1357803674 MBGJCFGTSRCRPK-UHFFFAOYSA-N 429.289 4.973 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1 1358007027 JRMGQBBZMULWAK-NHCUHLMSSA-N 428.532 4.717 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1358916555 PHCMZXGKFRCJNM-HSZRJFAPSA-N 449.643 4.588 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CC)CCCC1 1358973847 HUSJNUJWBSSLPW-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(C)C)CC1 1359184204 HDIXGIRGDHSGDK-UHFFFAOYSA-N 447.574 4.927 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 1359195199 IUSKFHVVQXOFKN-JTHBVZDNSA-N 448.615 4.503 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359204982 HYUIVVSKOZWBTE-GOSISDBHSA-N 445.633 4.732 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](OCC2CC2)C1 1359211342 ZRKDFEGLJZUXHS-LJQANCHMSA-N 430.980 4.969 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@H]2C1 1359229244 CFIVIIARKXGXCD-UXHICEINSA-N 428.552 4.605 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCC1(OC)CCC1)C1CC1 1359248114 AVZZOSDOTLGPDK-UHFFFAOYSA-N 449.368 4.961 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC 1359264998 VTDBBKBMNVHPTO-CALCHBBNSA-N 431.606 4.713 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCN(C(C)C)CC1 1359283421 PLPHWNWGZIPSIZ-IBGZPJMESA-N 432.012 4.795 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC(OC(C)(C)C)C2)C1 1359317222 DTKYHSVQPOMSFT-RUDSSYLZSA-N 449.599 4.582 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](CC)C1 1359338745 GFVCGIKYIDZXEY-CYBMUJFWSA-N 427.437 4.925 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H]2CCCCO2)c1 1361155778 GHQPADFRCNLNLS-PXDATVDWSA-N 437.588 4.563 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 1445470681 AFZLHVZRYOZUKJ-IBGZPJMESA-N 440.506 4.956 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1OC 1449536711 DFBXJDHGBYDBTN-QGHLFXPHSA-N 436.335 4.604 30 10 IJEE C#CCN(Cc1cc(C)nc2c1CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1461986278 DBIRAPKMJQBXCP-JOCHJYFZSA-N 425.370 4.990 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(Cl)c1Cl 1462933490 CTFOHBKTAFDKOU-UHFFFAOYSA-N 427.353 4.721 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C(F)(F)F)cc1 1463379847 SAZDZOGAGBDIJO-INIZCTEOSA-N 444.431 4.608 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3cccc(C)c3)Cc3ccco3)n[nH]2)c1C 1464072864 INPFHOVSFDBGHN-UHFFFAOYSA-N 429.524 4.820 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 1476002424 VJRHICCPGQGKNW-UHFFFAOYSA-N 435.430 4.551 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1 1476728578 FVAXHLMKOVIHMH-MRXNPFEDSA-N 425.710 4.522 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507559267 ZEXWLXMLIBLSIU-QGZVFWFLSA-N 445.489 4.568 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H](C)c1nccs1 1507572938 AXUMBSXXKMAPHD-IAGOWNOFSA-N 427.549 4.667 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC1CCC(F)(F)CC1 1507699450 DESFQGLMDXYJOT-UHFFFAOYSA-N 441.501 4.888 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507802748 CJBUHGYXGFNURH-RQGSJKACSA-N 448.533 4.793 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1507880538 KAYOELMGLXWDKL-FPOVZHCZSA-N 439.560 4.851 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCSC2(C)C)CC1 1507906021 ZKOAXHWATZVALF-FQEVSTJZSA-N 426.630 4.834 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2occc2C)CC1 1507909424 FFYOXHKZSJNMKO-IBGZPJMESA-N 441.576 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnc(C)s1 1507911705 MXSURDSHQQBTDA-UHFFFAOYSA-N 426.546 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cscn1 1507911872 PTLDPAGXHPYPCO-UHFFFAOYSA-N 427.574 4.658 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1507925392 ASIVKCHBNSPZIK-SZPZYZBQSA-N 437.632 4.627 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1507989351 BVDQMGFUAWJOLT-JKSUJKDBSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCSCC(F)(F)F 1508006521 GNQYQGZOYSKFAL-UHFFFAOYSA-N 439.532 4.890 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 1517643065 FRTGFUSGPRKGGA-LJQANCHMSA-N 441.753 4.834 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC(c2ccccc2C)=NO1 1520237531 ZQJGQFHJEVEJTE-HXUWFJFHSA-N 431.305 4.604 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)n1 1521678255 FKVVXKRWUMRREV-LSDHHAIUSA-N 430.361 4.524 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccnc(Oc2ccccc2Br)c1 1523400922 AGXGKMSNFJHPFP-UHFFFAOYSA-N 426.270 4.849 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1523844726 XJHWPRSIMOAELV-DEOSSOPVSA-N 441.593 4.831 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1526174454 AZMYFVMBMOSJBC-KSFYIVLOSA-N 441.453 4.910 30 10 IJEE CCc1c(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)nnn1Cc1ccc(F)cc1 1527162743 BLVMJOLEAKPATK-KGLIPLIRSA-N 437.544 4.899 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 1527894202 DZXXPIHRJHZBPB-KRWDZBQOSA-N 448.292 4.664 30 10 IJEE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1530375678 ABOXJGRBKVRDJT-HXUWFJFHSA-N 428.532 4.983 30 10 IJEE C=CCCSCCNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 1531713644 UDWNHZRUWASTQK-UHFFFAOYSA-N 446.498 4.992 30 10 IJEE Cc1nc(SCC(C)C)sc1CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1538585305 FEIVMCITQGAZKB-UHFFFAOYSA-N 449.045 4.616 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc21 1538658765 NVCJMQFBHLIYSI-INIZCTEOSA-N 442.479 4.951 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc2c(s1)C[C@H](C)CC2 1539147570 IKDJZKHZVGSUER-VQIMIIECSA-N 449.624 4.734 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1 1539286637 ILZIINADKMTGNA-UHFFFAOYSA-N 449.304 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCCC1(C)C 1539659089 IPFWIOMZGVOAEU-HSZRJFAPSA-N 432.996 4.951 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539707854 OYLZCMWGUKJQOG-UHFFFAOYSA-N 439.007 4.828 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539924706 XOKOSQYXAWGKHQ-QUCCMNQESA-N 445.652 4.963 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCC(F)(F)C1 1540051793 ODCHHFDENCYAKC-CYBMUJFWSA-N 428.325 4.874 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C)C1CC1 1540101700 LZDVBXGSBBYPJH-GOSISDBHSA-N 439.604 4.823 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)C1CCCCC1 1540857579 GQOKENKZQUTVAZ-ICSRJNTNSA-N 431.625 4.984 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1540916185 SXHLXIUHYNMJCT-IEBWSBKVSA-N 449.665 4.594 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(OC(F)F)ccc21 1542295896 JTTJQIROCSQEHA-HNNXBMFYSA-N 430.879 4.603 30 10 IJEE C=CCCOCCCCC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1544190181 UILVYEQKDVPHBQ-HXUWFJFHSA-N 437.422 4.914 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)OC 1545282328 FSLUBXFBSINMFT-SNRMKQJTSA-N 435.494 4.657 30 10 IJEE CCC1(Cn2c([C@H]3CCCCO3)nnc2N(CCOC)Cc2ccc(C#N)cc2)CCC1 1546142313 HWUXSZHSQYZVTG-JOCHJYFZSA-N 437.588 4.625 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC[C@H](F)C1 1555544637 FLVYJSKHGCRESE-RTWAWAEBSA-N 437.519 4.509 30 10 IJEE C=CCCC1(CNC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CCCC1 1564054305 FJBZLBRAOYFMTJ-KRWDZBQOSA-N 425.495 4.990 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc2Cl)C1 1583960836 KVDZCOJCNIFUNY-CABCVRRESA-N 447.428 4.889 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)n[nH]2)c1C 1584601767 INOHTECWWKGNBS-UHFFFAOYSA-N 439.932 4.500 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN1C1CCCCC1 1587574673 KAJXCBMSAZWPQN-AVRDEDQJSA-N 426.008 4.854 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1587894595 XPFGWQKAOWKFGA-IBGZPJMESA-N 445.032 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCC(C)(C)C1CC1 1588104876 BOMVXHGSHMBEKO-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(CC)CCOCC1 1588198460 UIQARNYUACYAHM-UHFFFAOYSA-N 432.612 4.912 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1589434424 GUMDVAJMOIHBNO-LJQANCHMSA-N 449.393 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1589548013 XMHQOSTZXUBKDG-PTLVVNQVSA-N 426.605 4.534 30 10 IJEE C=C(Cl)Cn1c(N(CCOC)Cc2ccco2)nnc1C1(c2ccccc2)CCC1 1593932727 OIGLIDPPGWEUFP-UHFFFAOYSA-N 426.948 4.747 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2c(C)nn(C)c2C)CC1 1594064946 VNQDNYHMTKOEPQ-UHFFFAOYSA-N 431.371 4.807 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)c(Cl)c2)CC1 1594192527 KHIMNTIXJRYLLZ-HSZRJFAPSA-N 448.970 4.562 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C(C)C)c1ccccc1 1594544340 IQWCRYIEEJANAB-UNMCSNQZSA-N 433.556 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1594930293 YWEPRWUXHBBVCG-ICSRJNTNSA-N 425.577 4.521 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCc2sccc2C1 1595900436 BDGKYAKBJCPXGD-UHFFFAOYSA-N 440.638 4.963 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1611291810 GBQSREPMOWNMNQ-XIRDDKMYSA-N 449.477 4.781 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)(N(C)C)C1 1612738404 BFTDWRGLZOWTLX-NIJXNBFTSA-N 426.653 4.651 30 10 IJEE C#CCN(C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CCN(C)CC1 1617454475 QGMYBFGYPIILRW-UHFFFAOYSA-N 443.956 4.569 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)cc1 1623891140 JTBATEUOLNZGQN-NQIIRXRSSA-N 428.330 4.673 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(-c2ccco2)nn1C(C)C)c1ccc(Br)cc1 1624265631 VQZFNCQEHBSOSU-MRXNPFEDSA-N 427.302 4.983 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1629235372 HDNAOQLMUASATH-IPMKNSEASA-N 436.980 4.727 30 10 IJEE O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1631779091 ZJIWQJKEALWASV-AWEZNQCLSA-N 449.326 4.867 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 1633089680 SRHKFPGFTVBOAM-WIYYLYMNSA-N 434.422 4.848 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)NCc3ccccc3SC(F)(F)F)CC2)cc1 1638933344 IDZHXHMBNCMKCC-UHFFFAOYSA-N 448.514 4.588 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(Cc3nc(CC)cs3)CC2)CCCN1C(=O)OC(C)(C)C 1640458448 IMCYEBFIWBNSEU-XMMPIXPASA-N 447.645 4.832 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)c1ccc(F)c(F)c1 1642781624 CXCKIQZMQALSFC-HXUWFJFHSA-N 434.508 4.537 30 10 IJEE COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1OC 1654665130 BTUPCVXIOAABKW-UHFFFAOYSA-N 448.972 4.752 30 10 IJEE C#C[C@@H]1CCCCN1CC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)OCC 1656426812 SZDUAOKSRXZKOL-QGZVFWFLSA-N 430.957 4.671 30 10 IJEE C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(N2CCNC2=O)cc1 1658199891 ASFYLPZQYQICQA-MHECFPHRSA-N 439.519 4.754 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)c1ccccc1 1659378360 PKULGPZMDRSOJR-JOCHJYFZSA-N 441.597 4.963 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(-c2nc3ccccc3s2)o1 1661387544 HSMQPBFTXDNJMM-UHFFFAOYSA-N 429.910 4.560 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 1665120182 JDOFGCJUFMYTBG-UHFFFAOYSA-N 443.613 4.944 30 10 IJEE C#C[C@H](CC)NC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1665561372 TXOGLHPFTAVAJZ-VQIMIIECSA-N 436.408 4.865 30 10 IJEE C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1667890641 AUPYLEXLLBNDKA-SJLPKXTDSA-N 436.512 4.720 30 10 IJEE CC1(C)C[C@H](O)CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1668731302 GOFHZBOPACJUAX-LJQANCHMSA-N 427.932 4.805 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCc2c(Cl)ccc(Br)c2C1 1669544909 AAQPGXCAZJQYRS-UHFFFAOYSA-N 437.696 4.844 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1669673040 YAVGYCRGAKUUTL-VWPQPMDRSA-N 444.984 4.726 30 10 IJEE CCOC(=O)c1c(NC(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)c(C#N)cn1CC 1671036722 ICARFMPOTDJKKR-SFHVURJKSA-N 430.936 4.771 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 1672209412 CZNDGWMDYMVTHT-WBVHZDCISA-N 433.346 4.690 30 10 IJEE C=CC(C)(C)CNC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1673789609 GCSGCJBMSXFQES-UHFFFAOYSA-N 426.992 4.996 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1)c1ccccc1 1680581716 WPZKUSWFPAAAMU-OAQYLSRUSA-N 449.530 4.942 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)c1ccc(F)c(F)c1 1681957440 ILQODGKNSKFTEX-DHIUTWEWSA-N 431.527 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCC[C@@H](C)C1 1689836079 XXAAEEYFZIBTFI-YRPNKDGESA-N 439.673 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC(C)C)CC1 1689848950 DPAHZOLOYUZCSB-PMACEKPBSA-N 443.636 4.677 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1690301650 XPFBCGUQFVPCTB-GLDPYIMESA-N 428.552 4.919 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1690308237 GZJLCTUMAFXQMV-QGZVFWFLSA-N 429.515 4.511 30 10 IJEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1690315480 BNKZCXPOAWTSEP-LJQANCHMSA-N 431.540 4.800 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690404871 WINDZLVMTSJWOV-UHFFFAOYSA-N 429.565 4.552 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1690462632 LPDIWEJYVTVJFX-DHIUTWEWSA-N 429.653 4.621 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(OCc2ccccc2)CC1 1690488972 WEFHSKYJRLANEQ-UHFFFAOYSA-N 437.613 4.786 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690500259 PQZLZLYJIATZCX-GASCZTMLSA-N 439.423 4.844 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1nnc(C)s1 1690518283 CUZLSRRYHMXHHN-UHFFFAOYSA-N 428.631 4.690 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(N(C)C)CCC1 1690519526 MSLBSQHGTGEWMI-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1csc([C@H](C)OC)n1 1690575837 CHVXSWPOLVHLLU-HNNXBMFYSA-N 440.598 4.740 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nc(C)cs1 1690607082 BSJCIRWUQCEOAX-IEBWSBKVSA-N 441.601 4.569 30 10 IJEE CC(C)(C)CCCn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1691190507 FQTTXHMZMOZABA-UHFFFAOYSA-N 434.632 4.956 30 10 IJEE CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@](C)(C#N)C1 1692360645 FDPFJDWSCKAXLZ-YADARESESA-N 444.624 4.569 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)N(C)C1CC1 1705480718 XTYNQIPJBWUOEG-HUUCEWRRSA-N 428.005 4.754 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(OC)CC1 1705526269 CSITZRXZXBGUQS-KOSHJBKYSA-N 426.630 4.940 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705661193 VEMSXPHRCZQPQT-IOMROCGXSA-N 429.033 4.904 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)CCc1cccs1 1705699376 GFZWLAJRTRATBD-SIKLNZKXSA-N 437.613 4.760 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCCOc1ccc(F)cc1 1705699860 MMGFHIOWCDRZFI-NFBKMPQASA-N 442.579 4.961 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H](OC)C(F)(F)F 1705711772 DJMOCVIXWHTOBI-KRWDZBQOSA-N 446.901 4.977 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(CN2CCCCCC2)CC1 1705738196 PFZVVVJCVPGWKW-UHFFFAOYSA-N 443.680 4.696 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCCc2sccc2C1 1705738945 POEDZIMSFPKTFB-UHFFFAOYSA-N 426.561 4.615 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CSCCS2)CC1 1705776366 DXDDNIDDQUZAHL-OXQOHEQNSA-N 448.633 4.808 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOC(C)C)c1C 1706978536 GOICAXFXFUAPPA-YKSBVNFPSA-N 425.577 4.590 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1711275257 DHJABGCFTJOAMA-NRFANRHFSA-N 441.023 4.849 30 10 IJEE COC[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1 1712130037 FBESSJWMDXQMMA-DLBZAZTESA-N 427.618 4.544 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1722339129 WPLYPBRFFYFTEJ-XZOQPEGZSA-N 436.600 4.671 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC[C@H]1CCO[C@@H](C)C1 1722422774 QJQKHLVLNRWDKQ-UNMCSNQZSA-N 438.591 4.995 30 10 IJEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H](C)C1CCCCC1 1722459983 BERFFKNCUSVSPC-IBGZPJMESA-N 426.630 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCSC1 1722495875 IHIXTTMUAAKQBL-MDYRTPRTSA-N 449.020 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CSC 1722495923 IMZONEQBFAYSMO-SXLOBPIMSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C)c1 1722511494 ZWLXCBSUDXTJDX-REWPJTCUSA-N 437.613 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1722511984 SPVNEBKXYCGMLE-IBGZPJMESA-N 432.515 4.800 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1722533752 ZCRRJIHUHSJNJO-UHFFFAOYSA-N 444.595 4.784 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722563141 UKMVEFIOKHSZLW-VFNWGFHPSA-N 449.368 4.554 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1722646823 LWLVTBWXPGEHAN-WOJBJXKFSA-N 441.595 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1CCc1nc2c(s1)CCCC2 1722670643 STXLQIMEYIDXSL-UHFFFAOYSA-N 433.625 4.934 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1C 1722685961 OXDDNRLPJJICLC-HXUWFJFHSA-N 425.577 4.523 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1722739239 BXECIYPWURRJRY-UHFFFAOYSA-N 440.613 4.660 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CCS1 1726471313 GKBGQHCMJRXBBU-KNKQGSTJSA-N 439.629 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1CCCCO1 1740541632 DFEQRMIHKPPIMD-RDJZCZTQSA-N 449.368 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)N(CC)CC 1740735139 KGRGQFUMGJUJJL-HYBUGGRVSA-N 425.646 4.601 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)C[C@H](C)C1 1740748304 CYCZNJKSUCYGFM-HOTGVXAUSA-N 449.393 4.647 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)CN2CCCCC2)CC1 1740819459 RBHQRWFMKFMDSQ-IBGZPJMESA-N 445.558 4.825 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2cc(C)on2)CC1 1740833187 MQEKQCFSCVRZEP-SFHVURJKSA-N 437.544 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(C)c2)CC1 1740849236 CJXYVUBYUBHVBI-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1740868158 FQKXPMZCOMDBOP-RTBURBONSA-N 428.577 4.787 30 10 IJEE CO[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 1748426964 BKDDLFRFHQFLGR-NZQKXSOJSA-N 436.947 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1cccc(C)n1 1748646825 FKKVVJDSBBTTMA-HXUWFJFHSA-N 438.579 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1CCO[C@@H](C)C1 1748649222 LLBITKBYGPQWQW-JYJNAYRXSA-N 449.368 4.510 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2=CCCOC2)CC1 1749311134 GCYFAMCBMHJXLJ-UHFFFAOYSA-N 435.355 4.667 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2)C1 1749356212 YPSDADKNFGETEL-NRFANRHFSA-N 438.576 4.520 30 10 IJEE COCCC1(Cn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CCC1 1749630904 GDQHRINQHMNCSI-UHFFFAOYSA-N 433.600 4.948 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1749749763 PVGGRMJWOSJDPG-DLBZAZTESA-N 448.658 4.602 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCCCC1 1751090529 FTNDQANXTUGCFT-MRXNPFEDSA-N 435.403 4.866 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1760166080 PKGZIGAFHDJGST-RXVVDRJESA-N 440.016 4.813 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(O)(CCC)CCC 1760226952 PAMDOUCYMMGNIM-GOSISDBHSA-N 428.646 4.922 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1760277294 GLBVJNYZRLZTHB-KBXCAEBGSA-N 449.393 4.592 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(C)(C)OC[C@@H]1C 1760319049 QJGBQXGZTXYMJF-TWOQFEAHSA-N 448.970 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C#N)o1 1760330677 LJXKNNMGWGLQPE-UHFFFAOYSA-N 426.318 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(CCC)C1 1760331329 KZHXKLLZUYZJIB-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@H](C)C1 1760340346 VIMYRGXIFWNPLK-WTGUMLROSA-N 431.625 4.887 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C)c1ccccc1 1760419964 GSFXWORUAPOQFZ-XZOQPEGZSA-N 449.643 4.678 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1760447395 MLWAFRVKANIHLN-IEZWGBDMSA-N 448.409 4.643 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)ccc1OC 1760457139 HYGJQTQPTOXWDR-OAHLLOKOSA-N 426.561 4.950 30 10 IJEE C=CCN(c1nnc(Cc2ccncc2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1760475174 WXROLSGMBKJISY-UHFFFAOYSA-N 445.901 4.722 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760478026 RSRMMPRVAOWCDQ-XUZZJYLKSA-N 449.599 4.926 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCCCC1 1760482652 LSDOVYMZIZRWBP-UHFFFAOYSA-N 444.627 4.721 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1Cc1nc(C)cs1 1760500214 VKNKRGYABKPAAB-UHFFFAOYSA-N 435.553 4.595 30 10 IJEE COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)c(Br)c3)nc2c1 1858204597 AZOYTGKRBLTIQG-UHFFFAOYSA-N 442.338 4.917 30 10 IJEE CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2cccc(C)c2)cc1 1859417120 AYBHEGBSEXSEEM-UHFFFAOYSA-N 449.514 4.989 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1Cl 1860133719 XGDGBPTVUVKFTP-HNNXBMFYSA-N 449.894 4.879 30 10 IJEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1 1860160158 YDZDWPOBJIJVSH-KRWDZBQOSA-N 429.476 4.615 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862385188 JPZIJQRZUPDILI-BLVKFPJESA-N 434.319 4.515 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C 1862429998 ZTGFUGQRKUIHIX-NRFANRHFSA-N 426.944 4.569 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1862583302 XQYJQGPKSMETQO-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccc(F)cc1)c1cccc(O)c1 1862591001 SMYWEJFBOMKBMP-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2F)cc1F 1862639268 UVSURKUIHYUMAP-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 1862662652 JZUZBBLRYGXGSH-DEOSSOPVSA-N 434.580 4.902 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)c1 1862674574 PISBPCJKJASCAN-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(Cl)c1 1862751066 IYMGCHIHHWVQHK-IBGZPJMESA-N 428.872 4.873 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 1862827792 HFSBNRPQMCFHAM-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863548629 RZZDGCDCNDFNHC-UHFFFAOYSA-N 447.579 4.875 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1cccc2c(-c3ccccc3)[nH]nc12 1866211134 CCPLZMNSDGRIJX-UHFFFAOYSA-N 436.450 4.893 30 10 IJEE CCC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866776570 VIPWTWJTABZELH-PKTZIBPZSA-N 435.568 4.929 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2Cc2ccc(C(C)C)cc2)c(C(C)(C)C)c1 1870109605 ZPKPFZMBBYGVDT-UHFFFAOYSA-N 445.567 4.945 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870561418 MEQJTVNSWHSMCJ-UHFFFAOYSA-N 444.550 4.502 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(N(C)C)c([N+](=O)[O-])c4)ccc3C2=O)c1 1871363393 DQGUIGSNXRWBLJ-FMCGGJTJSA-N 444.443 4.805 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1O/C(=C\c1ccco1)C2=O 1871374023 MCZPVJZBFYRYDZ-ZDLGFXPLSA-N 425.780 4.985 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871435172 YLMYKSVXTOKNKZ-CTFRJJSNSA-N 430.884 4.612 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871449270 VJGZBDNQNWHPSY-DNPFKWNUSA-N 442.471 4.667 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871452196 JLGNZILWHOAHSP-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871453767 QKPAGJCKGMCUNZ-XKZIYDEJSA-N 444.443 4.845 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871460593 VATQSLFFDHEMEK-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871874737 VZZPNROLHMRUED-GCJKJVERSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872226768 BOLIIIFPSKQLRE-GOSISDBHSA-N 434.989 4.859 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)c2ccccc12 1872788485 JIEWPOWTMJOVSQ-KXBFYZLASA-N 447.560 4.795 30 10 IJEE CCCCCCCCCCNC(=O)c1ccc(CN2CCN(C(=O)OCC)CC2)cc1 1872882044 BUHWQFLRQMLCDS-UHFFFAOYSA-N 431.621 4.831 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 1872884210 DANUUHWQTARIPO-UHFFFAOYSA-N 430.939 4.786 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(NCCc3ccccc3)ncnc21 1873607235 MZZWEPCJEKXJKY-UHFFFAOYSA-N 440.551 4.590 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCCC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1874277017 HYBYJDZNSSZWIE-WORIPGKHSA-N 443.617 4.566 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccn2C)cc1 1874348881 IKALUDMIMXYRKE-MFKUBSTISA-N 435.528 4.530 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccco1 1874394292 ISDJZIXSEUGNBI-MMDHUZEPSA-N 449.511 4.775 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1sccc1C 1874460977 PNGYGRQUASCOQX-LSFURLLWSA-N 439.488 4.588 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c(OC)c1 1874632299 AKLAGOZNFWJYIN-LHHJGKSTSA-N 435.451 4.757 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)[C@H]1COC(C)(C)C1 1915607382 RGTBMVKNOKRZNI-XMMPIXPASA-N 435.417 4.864 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1922047207 PPYXQWQKZODAAX-ZVBOOHQUSA-N 434.624 4.686 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)C1CCN(C(=O)OC(C)(C)C)CC1 1922083016 LKIPINUQDUAREN-JYFHCDHNSA-N 446.632 4.526 30 10 IJEE CC[C@@H]1C[C@](C#N)(N(CCN(CC)CC)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942582304 YIVHHPGTXVSMRI-RCZVLFRGSA-N 428.621 4.512 30 10 IJEE C#CCCCC[C@@H]1N(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]2C[C@]12C(=O)O 1959193255 ILKBPWFLFJXPJT-RTFHYFGRSA-N 429.516 4.904 30 10 IJEE CCC1CCC(C#N)(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1984689997 DPNIFPAULFDVJD-SIYOEGHHSA-N 445.563 4.892 30 10 IJEE C#CC[C@@H](CC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2020047593 ORKNJJYXSNKDQM-BKMJKUGQSA-N 425.569 4.839 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2037745654 KBTQRXIBSCISMH-BJKOFHAPSA-N 449.592 4.618 30 10 IJEE C=C(COCCC)[C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041913051 ZOFKVWWXCHCGRZ-JYFHCDHNSA-N 446.632 4.791 30 10 IJEE CC1([C@H](c2ccc(C(F)(F)F)c(F)c2)n2nc(C(F)(F)F)c(C(=O)O)c2N)CC1 2080047953 LQYKMYUTEZRLJA-LBPRGKRZSA-N 425.304 4.730 30 10 IJEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)c(Br)c3)c(C3CCC3)nn2c1N 2081244517 JMFZLTRIBWRPKH-UHFFFAOYSA-N 436.235 4.899 30 10 IJEE NN[C@@H](CC#CC1CCCCC1)c1cc(Br)ccc1I 2149856112 UVELGWRUVLQUFQ-INIZCTEOSA-N 447.158 4.532 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1cc(Br)ccc1C#N)C1CCCC1 2181104514 AARDRMTZHYXXOP-INIZCTEOSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(C)(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181109334 CWACBECBMQQETD-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]1(CNC(=O)OC(C)(C)C)C[C@H]1C 2235720053 HAHMIXBWVNMTIF-PERKRYKHSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 2244867007 ITMOZBNURAGMJZ-IBGZPJMESA-N 435.487 4.859 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2261827560 PUZOJXHZBIZNJQ-VWLOTQADSA-N 445.556 4.553 30 10 IJEE O[C@H](C#Cc1ccc(Br)cc1)c1ccc(I)c(Cl)c1 2278805826 IVWCDPOSTXZNAM-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(c3cc(Br)cc(F)c3C#N)[C@@H]2C1 2290259143 NCNPVLAHXKMVNS-SCLBCKFNSA-N 438.341 4.686 30 10 IJEE CC1(C)C[C@@](C#Cc2ccc(Br)cc2)(OCCN)[C@@H]1OCc1ccccc1 2296222096 OWXSTNPETSIOQJ-FYYLOGMGSA-N 428.370 4.530 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2296266214 FPGXWTYVKNLRHN-JXFKEZNVSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@@H](O)C#Cc1ccc(Br)cc1 2296271706 FYQKQNRMINSMPB-SIKLNZKXSA-N 430.342 4.602 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](N)C#Cc1ccc(Br)cc1)c1ccccc1 2296279142 LSPUEDWVDAMICS-WOJBJXKFSA-N 429.358 4.784 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C1CCC(CNC(=O)OC(C)(C)C)CC1 2296288881 LMOFUJOVZZSQIB-QLOJAFMTSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2296291613 QMUKKKNAYXZJLN-UYAOXDASSA-N 435.406 4.720 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2296304799 LKMCRBICOBDQEX-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE C=CCOc1ccc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 2296409953 ZHHSUZKYBCETDJ-UHFFFAOYSA-N 425.444 4.994 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@H]21 2305321932 IAWDRPIWHHSHCK-TYBLODHISA-N 428.573 4.698 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OC)c2)c(OC)c1 2314429774 OJYLMLAWOGBPQB-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COC(=O)COc1c(OC)ccc(C=CC(=O)c2ccc(C)cc2C)c1Br 2323138540 IDYAXXZMGXJPQX-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)c1 2323679792 AOMYSVNSKGGUSN-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325705690 MSDVKHFMXSCSSN-UHFFFAOYSA-N 433.460 4.929 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3OC)c2)c1 2325706745 SFCQSWSBVRMOCQ-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1cc(Br)cc(C=Nn2cnnc2SCc2ccc(C)cc2C)c1O 2326426934 NIXDJVPBVMEVAQ-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE COc1cc(C=Nn2c(CCc3ccccc3Cl)nnc2SC)cc(Cl)c1O 2327915515 YAHZFGHDIWMZMO-UHFFFAOYSA-N 437.352 4.688 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc[nH]2)cc1 2328358372 KWPRQRXRWRDCIR-UHFFFAOYSA-N 433.537 4.677 30 10 IJEE COCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc(Br)c1 2331256072 RCHWKDORSBUMRT-UHFFFAOYSA-N 445.386 4.712 30 10 IJEE O=C(Cc1ccc(F)cc1F)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331396868 JGPIARQVYNXLDX-UHFFFAOYSA-N 436.410 4.780 30 10 IJEE COc1cc(C=CC(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)[C@H]1CCCO1 2331471207 VZLDZOQYRYXNCT-JOCHJYFZSA-N 432.472 4.838 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)OCCC)nnc2C2CCC2)cc1 2331546308 IVKQVGADYZAFFX-UHFFFAOYSA-N 430.574 4.652 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1O 2331548690 VWHCZMDLBMXSLQ-UHFFFAOYSA-N 432.908 4.924 30 10 IJEE CCCSc1nnc(C(C)C)n1N=Cc1cc(Br)c(OCC)c(OC)c1 2331705560 FVMVTBMPLKBKQD-UHFFFAOYSA-N 441.395 4.956 30 10 IJEE C=CCN(C[C@H](NCCC)c1cc(Br)ccc1OC)C(=O)OC(C)(C)C 2339199530 CCXVPXVNQXKLNH-KRWDZBQOSA-N 427.383 4.922 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CCCN(Cc4ccccc4)CCC3)nc2)OC1(C)C 2339543117 MGSCJRQTPJISSJ-CCEZHUSRSA-N 433.405 4.829 30 10 IJEE CC(C)(C)OC(=O)N1CC(C(C)(C)Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339585245 MLFQACCOARKTPX-OUKQBFOZSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C12CC2 2339586174 APDCKKWQQVUXNX-PMXLPMHFSA-N 441.381 4.680 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2339589149 SIYXIEGNNGCKDC-KZYCCPFNSA-N 441.381 4.536 30 10 IJEE CN[C@@H](C#C[C@H]1CC1(C)C)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2365093812 QGYYZADJKLSFGS-WDSOQIARSA-N 435.406 4.522 30 10 IJEE CC1=C(C)C(=O)c2cc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)cc2C1=O 1323667 QUBNQEYMUMWMJR-UHFFFAOYSA-N 426.424 4.840 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 10136092 UJCLQTNZEOSOBF-UHFFFAOYSA-N 436.581 4.768 30 10 IJEE CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28053070 DIWVNHWYFWBXRO-WAIKUNEKSA-N 432.476 4.751 30 10 IJEE CCc1ccccc1N/C(=N\C(=O)c1cccc(N(C)C)c1)NCc1c(C)nn(CC)c1C 32971595 MMRLSGUAVLAMNS-UHFFFAOYSA-N 446.599 4.546 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(C)c2)Nc2cc(C)ccc2C)c1C 32973232 VUYDXMCPFVJZKR-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE C=CCc1ccc(OCCCCn2c([C@@H](C)NC(=O)C=C)nc3ccccc32)c(OC)c1 35144166 TUMMRQWXXOSEMZ-LJQANCHMSA-N 433.552 4.996 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)cc1OC 41355779 KVCOVHNGRCJELA-QRVIBDJDSA-N 430.456 4.777 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cc(Cl)ccc2C)n[nH]1)c1ccc(C)cc1 59021416 HSHMJPMGMVYRMR-OYKKKHCWSA-N 428.949 4.642 30 10 IJEE N/C(=N/O)c1cc(Br)ccc1OCc1ccc(Br)cc1Cl 168141502 BBQKDLADGBMEGS-UHFFFAOYSA-N 434.515 4.539 30 10 IJEE CCCCOc1cccc(/C=N\Nc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)c1 169895267 PUJCCBYLVHSXJR-OYKKKHCWSA-N 426.904 4.519 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c1 169972489 GYYSJMFIHBRZDY-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)cc1C 170044113 NOZFQSUDFWBPPW-OAQYLSRUSA-N 441.911 4.884 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 170080333 FSCJEVYWQZPQBX-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170117148 ZZAZIWGAWILRNO-IQMFZBJNSA-N 433.504 4.540 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)c1 170154170 DPHGECYIFUTMKX-LJQANCHMSA-N 425.531 4.987 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1 170166224 JDNDFGBFYMJKMT-FQEVSTJZSA-N 425.506 4.888 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)cc1C 170166349 WXMBMXHECCZSHW-OAQYLSRUSA-N 443.565 4.849 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)c1 170169708 UONLQZAWXONSRK-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(OCC)cc1 170214435 BGAKBTWYHDGEET-JOCHJYFZSA-N 437.492 4.583 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC)cc1 170215823 JOYZVLDMNYSHSE-WAIKUNEKSA-N 435.520 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170248958 DWJIAKQQEROGCK-QHCPKHFHSA-N 445.446 4.639 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1C 170270305 HABUNGNLGYZVQH-QHCPKHFHSA-N 437.536 4.563 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccco2)cc1C 170284736 OQQWGZHEBOGATC-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1ccc(C)o1 170309750 YUZAEOKBDWXZAC-GOSISDBHSA-N 429.856 4.985 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(O)cc1)c1ccncc1 170341347 BYVOBOLGCRLAPK-IBGZPJMESA-N 440.377 4.589 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccs3)sc2c1 170477359 GHEOSNLJENKUCU-QGZVFWFLSA-N 428.535 4.882 30 10 IJEE COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(F)cc1F 254744050 LXBKLABBGURMKF-UHFFFAOYSA-N 440.422 4.686 30 10 IJEE N#Cc1ccnc(NC(=O)c2cccnc2SCc2cccc(Br)c2)c1 435994941 MKPADBXIHFOHRF-UHFFFAOYSA-N 425.311 4.655 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@]2(CCCOC2)C1 460383617 CBMSPXCFMWBMFD-RUZDIDTESA-N 434.540 4.700 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2c2cccn2C)n(Cc2ccc(F)cc2)c1C 472316172 OYIWKWPVLHFWOI-XMMPIXPASA-N 447.558 4.668 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 477573241 NNEHSVDPRPGTDZ-IBGZPJMESA-N 436.487 4.530 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4c[nH]c5c(CC)cccc45)CC3)cc2C1=O 490816911 FHFIYDUYUGJFGO-UHFFFAOYSA-N 441.531 4.532 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)c1C 499382045 PKXJMVGOROCONW-UHFFFAOYSA-N 428.536 4.607 30 10 IJEE C=C(C)C(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 504329049 DVEHRVPFAWVDCV-ULIHFOIUSA-N 430.585 4.752 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 508865174 STSIIYANICLKPT-MRXNPFEDSA-N 448.493 4.610 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 549287752 MWYZKGDLJHLRQP-LJQANCHMSA-N 441.377 4.630 30 10 IJEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 555009957 CYWUOFLEQRZAGA-INIZCTEOSA-N 448.914 4.537 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccnc(Oc4ccccc4Cl)c3)cc2C1=O 605275215 NUTCRIFOMXWVCV-UHFFFAOYSA-N 433.851 4.562 30 10 IJEE N#Cc1ccc(CNC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(F)c1 609229734 NHXUNXPAHVARKA-UHFFFAOYSA-N 434.521 4.778 30 10 IJEE C#CCCCCC[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686711873 JNPVJWVZWJFFJE-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)C[C@H]1CCCN(Cc2ccccc2)C1 719941811 IXOSPTFTVRIVBH-XMMPIXPASA-N 448.460 4.638 30 10 IJEE CCCN(CC)C(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1 729187368 BDPUSTRYIUBBBW-JOCHJYFZSA-N 433.552 4.645 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2ccccc2c1 733200569 FZWGEFIGUSWJKI-QFIPXVFZSA-N 445.519 4.963 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCc3cccc(OCC(F)F)c3)c2)s1 740043283 DMUYLILFWYVOBW-UHFFFAOYSA-N 427.476 4.930 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1 743625403 MKEOMVRMYWZTHI-QFIPXVFZSA-N 441.560 4.803 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@H]1c1ncc(C(F)(F)F)s1 788476270 PPTXQIFNKOFHSM-MRXNPFEDSA-N 439.434 4.778 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N([C@@H]3C[C@H]3C)C2=O)cc1 790012005 IOFCXFRMSHVWSE-IPHXSNPTSA-N 435.549 4.566 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C)c1ccc(F)cc1 794897190 VLBBNMMJEGPVCG-IBGZPJMESA-N 440.931 4.506 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccc(Cl)cc1 810210715 BYEPXVCUSRDSIG-KRWDZBQOSA-N 435.833 4.678 30 10 IJEE C#C[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 812749399 NRAIIRVWAQEJNQ-SFHVURJKSA-N 439.840 4.600 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(C)cc2)n1 1084533795 QZPJJHJSHQMOEI-UHFFFAOYSA-N 440.598 4.792 30 10 IJEE C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H](C)N1C(=O)OC(C)(C)C 1126202181 FYDCEQQKWNULDB-QZTJIDSGSA-N 435.524 4.820 30 10 IJEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CC(Cc1ccccc1)Cc1ccccc1 1130753342 DHLJEURSHZPVSJ-UHFFFAOYSA-N 435.531 4.628 30 10 IJEE N#Cc1ccc(CSCC(=O)Nc2cc(Br)cc(Br)c2)cc1 1131528997 ARTJVKGNZAFPKG-UHFFFAOYSA-N 440.160 4.955 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1ccccc1OCc1ccc(Br)cc1 1139866021 XIHXLIFUYLUDFW-UHFFFAOYSA-N 431.374 4.608 30 10 IJEE C#C[C@@H](CO)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1159769541 FAXDTEQMUXWKFT-RRKXDQCWSA-N 443.672 4.533 30 10 IJEE C#CCOCSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OCC)cc1 1164645837 BWESNFCFVNZEQL-UHFFFAOYSA-N 444.354 4.795 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C(C)C)nnc1-c1cccc(OC)c1 1188899125 GVYNSOSSBRCUII-QMMLZNLJSA-N 442.629 4.951 30 10 IJEE C#CCN(C(=O)N[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F)C1CCN(C)CC1 1222633047 RXIJLBCJNCVCMN-QHCPKHFHSA-N 443.563 4.515 30 10 IJEE C#CCN(C(=O)NCC(=C)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1229633487 WSIQRXOHYRGBOF-FQEVSTJZSA-N 425.326 4.631 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CSCCS1 1286278462 DBUCZNUZTUTFHZ-WBVHZDCISA-N 432.684 4.582 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)S[C@@H](C)C1 1286498672 KHKPZUUBNDDNIM-IRXDYDNUSA-N 446.711 4.972 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)NC(C)(C)C 1286567656 WOYSBVCYDNGAKK-KRWDZBQOSA-N 443.661 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@@H](C)C1 1286574286 XCRKUWDPVVAHPA-WOJBJXKFSA-N 448.615 4.904 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1286611954 SGZABXXHFRZZMU-NKKJXINNSA-N 438.616 4.680 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1286637497 GBYANQFIXKLTHY-NNMXDRDESA-N 428.552 4.775 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1286639960 DXMFKCNBZLFZPE-UYAOXDASSA-N 432.515 4.764 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC[C@@H]2CCOC2)CC1 1286651749 KGSJERVFPACSEW-PZJWPPBQSA-N 440.588 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286675800 UCIAFMMBODULCC-FQEVSTJZSA-N 442.579 4.851 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(C)cc1N1CCOCC1 1286681715 RJWVFLJFZKYUNU-UHFFFAOYSA-N 439.648 4.952 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1286701477 VXBURXMAQPMKGT-OALUTQOASA-N 434.588 4.514 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1286717632 DRYIBBYRSTZAFY-KGLIPLIRSA-N 442.361 4.591 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(SC)c1)C1CC1 1286734778 HMZHGQWBDVRQEC-UHFFFAOYSA-N 441.988 4.927 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1cccnc1-n1cccn1 1286744994 ADZGHJLOFOBYFY-UHFFFAOYSA-N 441.583 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@](C)(CC)O1 1286750022 LUQFFPFLYSYXOP-RDPSFJRHSA-N 437.613 4.866 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1286755421 XTPZHJRWQHNNKG-LEWJYISDSA-N 432.572 4.514 30 10 IJEE C=CCn1c(N2CCC(c3ccccc3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777557 GBIBOHNOJUFMSK-OYRHEFFESA-N 437.588 4.619 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@H]2C=CCC2)ccc1Cl 1288327824 RKGNRQVXZJJFKF-INIZCTEOSA-N 448.947 4.556 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccoc2)cc1OC 1294931767 FFMDLLFNBVUDCB-UHFFFAOYSA-N 435.528 4.514 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cc(Br)c1N)c1ccc(Cl)cc1 1298925275 YLHKSSLPICVHRQ-AWEZNQCLSA-N 442.538 4.552 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)[C@H](C#N)CCc2ccccc2)C1 1299126328 FXUHUBPHWDVECM-RJGXRXQPSA-N 439.600 4.787 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1)C(C)(C)C 1299714582 FSEKIEPBLSDZQA-QFIPXVFZSA-N 439.604 4.662 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(NC(C)=O)c1 1300284108 PPEFHUGQRGIMKJ-DLBZAZTESA-N 447.608 4.596 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OC)C1 1300372606 JMJSBZZEDIVWHR-QGZVFWFLSA-N 437.371 4.583 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C 1300373370 XHRZMOAEDMDFJU-ROUUACIJSA-N 430.643 4.713 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2ccc(C)cc2)nnc1[C@]1(OC(C)C)CCOC1 1300376302 JHQFDCAGWFDHMI-BVAGGSTKSA-N 436.600 4.772 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1300421546 JXJFNAZCSLUINT-NHCUHLMSSA-N 426.630 4.998 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1300850330 YORCYUFXDCFNRQ-BLLLJJGKSA-N 436.225 4.795 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1300850338 YORCYUFXDCFNRQ-WBMJQRKESA-N 436.225 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)o1 1300896845 KQSCVKLAJDEFQM-MBSDFSHPSA-N 440.519 4.515 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CC)CCOCC2)CC1 1301112263 OSQDENRXVXAFBF-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC2(SC)CCC2)CC1 1301135543 YKXMPUSQYYRCJG-UHFFFAOYSA-N 442.629 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1301152129 USYVWYPHWSOQHJ-VQTJNVASSA-N 431.669 4.990 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1301162935 FJXOZVQAMXFIOC-ICSRJNTNSA-N 435.538 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CC[C@@H]1CCCCO1 1301383332 BQKGPWBGGZDDOA-KRWDZBQOSA-N 431.378 4.845 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC(C)(C)C)nc1 1301410610 IBPOUAVYXNRBIP-UHFFFAOYSA-N 446.555 4.722 30 10 IJEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCCC1(F)F 1301806333 CMOSANLAKBLPMJ-KRWDZBQOSA-N 442.514 4.618 30 10 IJEE COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccccc2CC#N)cc1OC 1309351141 BMJRJDUOAXHTHM-GHTZIAJQSA-N 442.581 4.539 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CCOC[C@H]2[C@H]2CCCO2)cc1 1310888242 DHKOJZJOGYGXGG-VQTJNVASSA-N 443.956 4.775 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3CCNC(=O)OC(C)(C)C)cc2n1 1311235541 NLQCWQJMCXIBBW-DYESRHJHSA-N 441.576 4.770 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1ccccc1 1312678559 LMXOAAAGWOAKJO-VQTJNVASSA-N 437.893 4.939 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)c1ccc(Cl)cc1F 1312938697 ZRPXYJHTGLDGOB-RBUKOAKNSA-N 425.262 4.729 30 10 IJEE C=CCCC1(CNC(=O)N2CCn3c(C(F)(F)F)nc(Br)c3C2)CCCC1 1313005694 XNPBNQNMRMRCMQ-UHFFFAOYSA-N 449.315 4.716 30 10 IJEE COC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CC#N)CC2)CCCC1 1315274419 HVZMUQKRKBNXFY-UHFFFAOYSA-N 431.943 4.827 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cnc(-c2ccccc2Br)s1 1350952707 LMFHJWPIZURODN-UHFFFAOYSA-N 442.338 4.741 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(OC)cc1OC1CCCC1 1351586311 MOJAFGNJZGFRDU-UHFFFAOYSA-N 440.492 4.760 30 10 IJEE CN(CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)OCc1ccccc1 1357208873 FSOGEUWJZSGXOV-UHFFFAOYSA-N 429.476 4.948 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 1358007730 XHUCBZXALICHCM-QGZVFWFLSA-N 436.870 4.640 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1358909585 KQHUQUWPORPRLK-HSZRJFAPSA-N 449.986 4.747 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCc1c[nH]c2c(CC)cccc12 1358996651 MWYAKTOWVXXNNR-UHFFFAOYSA-N 427.596 4.760 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F 1359093486 OGMOZOOMUKYCPM-ZBFHGGJFSA-N 446.420 4.526 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(F)(F)F 1359104875 GYQSSNATMNGGFD-BRSBDYLESA-N 444.542 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nnc2n1CCCCC2 1359107260 HVSNPULSERAYKP-NRFANRHFSA-N 433.604 4.589 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)N(C)C 1359116672 UDVYAJCQNHWPSG-XPWALMASSA-N 439.648 4.902 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CCc1ccccc1 1359118065 MRSXPTHYWNFFMG-UHFFFAOYSA-N 428.378 4.691 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1359125634 MNDXRGFCZWATFV-YRPNKDGESA-N 429.609 4.941 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ncccc2C)CC1 1359158851 GOSZIIQHZIWKSP-FQEVSTJZSA-N 433.556 4.725 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CC(C)(C)C2)CC1 1359165755 WCYRHPVEWWQMNT-HXUWFJFHSA-N 443.636 4.985 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1)c1ccccc1 1359196015 VYXWGDDGFOOIEM-FCHUYYIVSA-N 437.632 4.722 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](C)C1)c1ccccc1 1359196210 ZJWJVKHEVIKMKL-UEXGIBASSA-N 437.613 4.607 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@H](C)C1 1359244555 ICRJDTCBEZBSAQ-HUUCEWRRSA-N 425.360 4.601 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ncc(Cl)n1C 1359283591 DHMNZZVNYPQPTK-UHFFFAOYSA-N 435.963 4.562 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1359290622 JPTCWUXWJBJBPR-IPMKNSEASA-N 429.634 4.840 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCOC1 1359337816 BLHFNHFTZQMVNR-QGZVFWFLSA-N 432.659 4.667 30 10 IJEE C#CCO[C@@H](C)C(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1435164183 NHXDUOJNCHLFFQ-OXJNMPFZSA-N 430.342 4.634 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 1435848428 VLKXFADHKALNCZ-UHFFFAOYSA-N 441.277 4.990 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)C(F)(F)F)cc1 1436240827 XEOUBFDXAAHPPZ-GOSISDBHSA-N 431.389 4.972 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cn1c(CSC)nc2ccccc21 1436641365 LPPYYCKFOLOOJK-UHFFFAOYSA-N 446.370 4.865 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 1437971329 RYIMVJIMAQLAHC-CZIZESTLSA-N 427.548 4.720 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(O[C@H](C)CC)nc(C)n1 1458269857 YHEUFEYFAJCUHK-MRXNPFEDSA-N 425.558 4.778 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CCCCC3 1458737336 YJVPKKPMLAIBJJ-BEFAXECRSA-N 447.670 4.944 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](COC)c2ccc(Cl)cc2)s1 1459645879 CJUXMPSKQHUHLB-HNNXBMFYSA-N 431.410 4.996 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c(OC)c1 1459989007 CUUKJSAKJYMTFO-UHFFFAOYSA-N 444.535 4.796 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O 1460782107 XSSDPCILSWHBGE-HXUWFJFHSA-N 443.341 4.633 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C(=O)OC)c2ccc(OC)c(Cl)c2)cc1OC 1462117859 NNAUBVLNGVARHJ-IBGZPJMESA-N 440.323 4.579 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1C(F)(F)F 1463899648 HHLOKCZFOSFELY-CZUORRHYSA-N 428.863 4.845 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)c1 1464259880 SXMGYDZPYFULKM-UHFFFAOYSA-N 434.517 4.540 30 10 IJEE N#Cc1nc(NC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)ccc1Br 1467109267 BUAQLWQMLWKRHH-OAQYLSRUSA-N 425.330 4.618 30 10 IJEE N#Cc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OC(F)(F)F 1467486376 GLKCINOIIYRAMO-FQEVSTJZSA-N 439.393 4.567 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 1468102140 FUAZXEBMWLPQHP-KRWDZBQOSA-N 426.488 4.666 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 1476466590 SHEBSHZNLMIGRD-UHFFFAOYSA-N 429.307 4.572 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 1478659817 HORTYQCOSCOAMI-QFIPXVFZSA-N 428.939 4.575 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1(F)CCC1 1507660498 VTMDQRXATFQZEE-SFHVURJKSA-N 428.939 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC1CC1 1507796587 MRZIGMFZDZRENO-ICSRJNTNSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCc1ccc(OC)cc1 1507800053 UAAGJDNDFSSJBV-URXFXBBRSA-N 440.632 4.926 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1cccs1 1507804711 MGFVNQZJQVBBJW-WMZHIEFXSA-N 438.597 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507816480 NZGOFDMUCHIESZ-GOSISDBHSA-N 431.028 4.906 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(Cl)=C(Cl)C1 1507847950 SCQQJXQBPNUTDD-UHFFFAOYSA-N 446.382 4.773 30 10 IJEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(C)o1)c1ccccc1 1507855288 RSFQOHUZHUINQZ-IFMALSPDSA-N 436.556 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1507859832 DBFSVJQOFBCLFS-ZIAGYGMSSA-N 437.769 4.561 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1507860379 MWPZWTDXHOZTJD-QGZVFWFLSA-N 445.976 4.821 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](C)C1 1507966232 NLQZWKYWADDLID-IYBDPMFKSA-N 439.387 4.849 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1ccsc1 1507967369 FFBHWHYZILWREM-YCRPNKLZSA-N 432.977 4.663 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1507968330 RKWCSJDDKRHVIG-UXHICEINSA-N 445.633 4.570 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)c2c(C)noc2C)c1 1511200985 GIMBNTDYRFSUKJ-GOSISDBHSA-N 448.571 4.704 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)OCc2cn(-c3ccccc3Cl)nn2)c1 1520053250 GEEJIJHYKQKFDU-UHFFFAOYSA-N 444.878 4.728 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CC(C)(C)N(C)c2ccc(Br)cc21 1520501262 XJQPFYZGWZRHHA-UHFFFAOYSA-N 445.357 4.898 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2(C)CCCC2)c1 1520618619 KSXWEQOELNWMCH-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE CCC1(CC)CN(C(=O)Cc2cccc(OCC#N)c2)c2ccc(Br)cc21 1525130313 ATWMVKKOBOOXJJ-UHFFFAOYSA-N 427.342 4.999 30 10 IJEE N#Cc1cc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)ccc1Br 1527157687 BOIGNZRXGBCQST-UHFFFAOYSA-N 437.175 4.642 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)CCCN1C(=O)OC(C)(C)C 1528830570 MKBQXOVUJSSTIV-GKVSMKOHSA-N 443.563 4.710 30 10 IJEE C=CCC[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 1529475102 ZXENLSQONOXYGQ-SFTDATJTSA-N 428.479 4.650 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(-c2cc(Br)ccc2OC)s1)c1ccccc1 1529738495 YUYNUADULUJSPX-MRXNPFEDSA-N 427.323 4.686 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](OC)C(=O)OC(C)(C)C)c1ccc(C)c(C)c1 1531214604 VSTVOPKWTHWKLG-HSZRJFAPSA-N 439.552 4.758 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)c2)cc1 1533772361 CAJCSBRCFZUKCY-UHFFFAOYSA-N 444.535 4.863 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(Br)cc(Br)c1 1534570579 CKCGDEJHNLXZPG-UHFFFAOYSA-N 425.124 4.892 30 10 IJEE Cc1nc(SCC(=O)N(C)[C@H](C)c2ccccc2Br)c(C#N)c(C)c1C 1536433207 IDRHFQRUBYMKPW-OAHLLOKOSA-N 432.387 4.953 30 10 IJEE Cc1cc(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)nn1-c1cccc(C#N)c1 1537396366 HOHIDKHLVDHTRS-UHFFFAOYSA-N 426.442 4.822 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ncc(CC)s1 1539102463 FWIPOEFTMBTOGK-UHFFFAOYSA-N 429.977 4.676 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539103802 YSOBHLBZOVWKHV-LJQANCHMSA-N 445.405 4.681 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCC(F)(F)CC1 1539250347 MBADUGXRJIHGSQ-UHFFFAOYSA-N 432.902 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCc2ccccc21 1539306297 FYPKGPQWCHIORX-OAQYLSRUSA-N 429.955 4.577 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCOCC1 1539343560 MFXWAUOZHNAUPG-SFHVURJKSA-N 430.980 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](OC)[C@H](C)CC 1539345863 ZCIUTTRBUWDIPC-NTKDMRAZSA-N 433.600 4.873 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Oc2ccccc2)nc1 1539351477 BSZFRYHAPRFXSU-UHFFFAOYSA-N 444.926 4.689 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1CCCC[C@H]1C 1539359644 MRHRWFMGJVBXJJ-OAQYLSRUSA-N 430.600 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(SC)CCC1 1539539604 VZJZJCWLQGPNPF-HTAPYJJXSA-N 428.577 4.835 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539691319 UPYOZHZOSIQFIV-GOSISDBHSA-N 441.645 4.545 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1539779327 UUHUJJDUVMFKRX-SWLSCSKDSA-N 426.790 4.814 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ncc(CC)s2)CC1 1539828034 CXFMTYSMZRGGGM-KRWDZBQOSA-N 441.576 4.975 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(F)(F)F)CC1 1539897361 DFEIILXOUDDRPU-UHFFFAOYSA-N 445.283 4.584 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1539981138 FALCOCKIHUQUEL-OALUTQOASA-N 449.368 4.961 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1539981816 NRQSCEOQVVHSAG-IRXDYDNUSA-N 436.398 4.642 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1C1CCC1 1540019268 FLVCHYNHZRITBR-QFIPXVFZSA-N 437.588 4.509 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(OC)cc2C(F)(F)F)C1 1540883193 VUDPBOBSMVDETR-YJBOKZPZSA-N 438.494 4.649 30 10 IJEE Cc1nc(C)c(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)s1 1542879162 IDRWAZJZQUKBPV-UHFFFAOYSA-N 434.594 4.831 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)CN1CCCC1 1543858975 BWLBPJHLVFHKNO-QRVBRYPASA-N 440.661 4.602 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)Cc1ccccc1 1544142791 HXFSCXVWRRUGAN-QFIPXVFZSA-N 442.987 4.993 30 10 IJEE CCOC(=O)C(F)(F)[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1CC1 1544167724 GQFAZXVWBZHGHT-LJQANCHMSA-N 448.853 4.711 30 10 IJEE CC(C)N(CCn1c(Sc2nc(C#N)c(Cl)s2)nc2ccccc2c1=O)C(C)C 1559059289 FESYGEWFIDPUOC-UHFFFAOYSA-N 448.017 4.648 30 10 IJEE C#CCN(C(=O)Nc1cccc(O[C@@H](C)CC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1562871561 MSPFMEVCTOIWIK-SFHVURJKSA-N 429.561 4.731 30 10 IJEE CC(=O)c1ccc(Br)c(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 1563205443 PUHOJVFVWKFRCE-INIZCTEOSA-N 440.219 4.948 30 10 IJEE C=CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1)[C@@H](C)COC 1563961836 BHDSEAQPRWBVRK-RXVVDRJESA-N 433.593 4.608 30 10 IJEE C=C[C@@H](C)ONC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1565008948 HLWWIAXTSPFCIL-ACJLOTCBSA-N 440.396 4.960 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1F 1584727620 SOAICEHEIUGQKQ-MRXNPFEDSA-N 430.888 4.724 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)cc21 1585546062 DJHJAMUGELCMSS-RTBURBONSA-N 446.551 4.643 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)C(F)(F)F)cc1 1587315761 WOXJMFAOKPLUIA-JXFKEZNVSA-N 433.451 4.590 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1587778035 ZNCLQGGBICZWMC-UHFFFAOYSA-N 447.530 4.979 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCN2CC)CC1 1594013164 CPRDYWGORINFSY-PZJWPPBQSA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccc(Cl)nc2)CC1 1594070449 GDPWYVSMUFRZJS-UHFFFAOYSA-N 439.947 4.606 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC(F)(F)Br)CC1 1594430561 OHQLKJGKJHPHJJ-UHFFFAOYSA-N 441.320 4.556 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(C)(C)C)CC1 1594572457 BIALKCUQYKEGNJ-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1594813886 ZYRXMGFFAYAJED-QHCPKHFHSA-N 438.616 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCn2ccnc2C1 1595228801 JIMHFIVUGXVAQN-FQEVSTJZSA-N 434.613 4.516 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1595428598 ULEDOMIFAMOJAE-OAQYLSRUSA-N 444.023 4.502 30 10 IJEE N#Cc1cc(F)c(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1Br 1611916956 CIEAZUABSHAXRE-IBGZPJMESA-N 438.728 4.599 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 1617524440 NAJBFBMYAARLMD-CEMLEFRQSA-N 428.573 4.938 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CC[C@H](F)C1 1619110231 DWXBKQKUFLLCQA-GIMINZRKSA-N 431.943 4.875 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 1620605784 AEMYWQASTVMWAX-CYFREDJKSA-N 447.645 4.517 30 10 IJEE C=C[C@@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccccc1 1620922007 NRDKHAQUWKYAEW-NFBKMPQASA-N 441.499 4.544 30 10 IJEE COc1ccc2c(c1)CN(S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](c1ccccc1)C2 1621911902 GAPPXUMHCKNIPM-QFIPXVFZSA-N 438.936 4.709 30 10 IJEE CC(=O)N1CC[C@H](OC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c2ccccc21 1624088423 COXRGUHJCSRJRY-VWLOTQADSA-N 426.472 4.792 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(Br)cc1Cl 1627094196 YOTMCKNUBAESFF-UHFFFAOYSA-N 446.732 4.783 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 1627351034 MXZSVXNZBNJOMC-VXKWHMMOSA-N 447.000 4.651 30 10 IJEE C#CC[C@H](COC)NC(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1627608758 PHRWIGZBNDAUOZ-GOSISDBHSA-N 437.378 4.958 30 10 IJEE C#CC[C@]1(C(=O)NCC(c2ccccc2)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1628237492 BUFQVRHEWHIGDK-HHHXNRCGSA-N 432.564 4.728 30 10 IJEE C=C(CCN(C)C)C(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1635147184 XRCZRGPXTVACBF-UHFFFAOYSA-N 435.337 4.847 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)c1ccc(Br)cc1 1636541276 BSDJZRACUAJMOF-PMACEKPBSA-N 431.761 4.558 30 10 IJEE C=CCC1(O)CCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)CC1 1638655793 DCDUJBIPAYAOAA-UHFFFAOYSA-N 444.641 4.551 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC 1640459934 JFYHUTRKBVYXKB-NRFANRHFSA-N 438.490 4.779 30 10 IJEE N#Cc1c(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)nc2c(c1C#N)CCCCCC2 1642195477 DOZSFOYTFVLHGP-XMMPIXPASA-N 449.986 4.623 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCSC(C)C 1649538158 AJOCSHLUHRQLBO-MRXNPFEDSA-N 425.627 4.977 30 10 IJEE C=CCn1c(SCc2cc(=O)oc3cc(O)c(CC)cc23)nnc1-c1cccc(OC)c1 1656345018 WDIQHKNPTAZYHF-UHFFFAOYSA-N 449.532 4.806 30 10 IJEE C#CCN(C(=O)Nc1cc(C(F)(F)F)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1659705523 YZVPJQUWJAQBBK-UHFFFAOYSA-N 439.478 4.880 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccsc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1661029032 QACFUKXACBJARQ-AWEZNQCLSA-N 433.473 4.539 30 10 IJEE C[C@@H](COCC1CC1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1661515042 DARKHHBEXHBNBD-LBPRGKRZSA-N 438.475 4.561 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1661854668 AKFRXCMBAHFKAW-IBGZPJMESA-N 441.528 4.563 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 1662453889 DFCAOEHIGPFKGE-SFHVURJKSA-N 448.498 4.682 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc1C(F)(F)F 1669385455 AXCOOPTXESQHEE-HNNXBMFYSA-N 446.903 4.786 30 10 IJEE Cc1ccc(F)c(Br)c1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1670268533 HRTWFUFNENBUBW-UHFFFAOYSA-N 447.308 4.675 30 10 IJEE C#CCC[C@H](O)CNC(=O)Nc1cc(Cl)ccc1Oc1cccc(Br)c1 1671968807 WGWBTLLUXWNZRR-HNNXBMFYSA-N 437.721 4.791 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc(OC)nc2ccccc12 1672210131 OXNVBARMUVBZBN-UHFFFAOYSA-N 442.313 4.892 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C)c1ccccc1 1672895007 UTYIKSGPGQPSNU-OPYAIIAOSA-N 449.551 4.603 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@H](c4cccc(OC(F)(F)F)c4)C3)cc2n1 1675018207 UTBVNZHDGWYQPC-FQEVSTJZSA-N 446.429 4.726 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1 1678356571 ZNNIZXCFAVXQGU-VQTJNVASSA-N 433.346 4.894 30 10 IJEE C[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 1680184819 AFXDHZISDOJACU-QGZVFWFLSA-N 430.474 4.602 30 10 IJEE C=CCC[C@@H](CO)NC(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1680794818 PGPXZJCNSPWXSU-ICSRJNTNSA-N 440.437 4.591 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc21 1680802007 AAAVJVWGLABMOE-SFHVURJKSA-N 441.482 4.614 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)cc1 1681828598 VBEVIJKTXHUTSH-GOSISDBHSA-N 425.960 4.588 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(OCC2CC2)CC1 1689913786 VHINVVFVFBQZAV-OAQYLSRUSA-N 436.600 4.844 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1690183966 BCRPNUNKGZMCRT-UHFFFAOYSA-N 433.002 4.820 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1690521650 DLAVLPKCPHFSTQ-LAUBAEHRSA-N 425.577 4.851 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@@H]1CCOC1 1690611099 AHZINNBDFQPORW-MRXNPFEDSA-N 447.004 4.879 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)c1nccs1 1692343344 CBWCNCLONXEONZ-SFHVURJKSA-N 433.585 4.843 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCc2cccnc21 1705479295 HAOINPWTTBYCCW-VQIMIIECSA-N 437.494 4.520 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCC=CO1 1705593945 ZAIMDCQZCHJSHQ-XMMPIXPASA-N 432.568 4.526 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N(C)C[C@@H]1CC=CCC1 1705688070 MQZKXSJYWREXIN-QGZVFWFLSA-N 431.378 4.579 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705706841 ZXTGMGDAJYTJBA-KJWPAHLWSA-N 430.637 4.633 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(F)c1 1705745419 IZYRXNSCYIGNHO-UHFFFAOYSA-N 438.732 4.574 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1705788330 WXTVMYVVBDEBEX-IBGZPJMESA-N 448.619 4.928 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705802166 CWAGGPXBZJUPGS-DYESRHJHSA-N 444.542 4.700 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1705817669 PJZDKZXQBFGALN-UHFFFAOYSA-N 442.677 4.978 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1705825158 LKFNJIFEHQGUKV-BWKNWUBXSA-N 437.588 4.758 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCc1nc(C(C)(C)C)cs1 1705838900 HEUNLMKMDXBLSC-UHFFFAOYSA-N 441.601 4.581 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CC)C1CC1 1705858719 SZNKRKRDUDAKOW-HXUWFJFHSA-N 429.996 4.540 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CCNC(=O)OC(C)(C)C 1705863337 OOWXORKPFVVQEH-QGZVFWFLSA-N 431.556 4.648 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC(F)(F)CO1 1705879077 MCXXOIBQNPQQFH-LJQANCHMSA-N 448.901 4.851 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(CC)Cc1cccs1 1705892222 NIGHFSRNOQEDRH-UHFFFAOYSA-N 433.375 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CCOCC)CCCC1 1722277413 MLRPJIIUTHNTQY-FQEVSTJZSA-N 446.599 4.780 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC(F)F 1722311549 XPNGFPXJQFFIJZ-UHFFFAOYSA-N 441.320 4.611 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)CC=C 1722389381 SDAQQTIVFDQAAT-UHFFFAOYSA-N 425.374 4.773 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722453722 ADWYTOPQMSAKEK-HXUWFJFHSA-N 449.624 4.644 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(C)(C)O 1722466979 JNDYICVEDWGZML-HOYKHHGWSA-N 445.007 4.841 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC1CC(F)C1 1722505629 RSSNGSSLVMQPNN-VSFLDCQPSA-N 442.579 4.639 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](F)COC)CC1 1722575485 LFQWDYOVXAAVIM-IBGZPJMESA-N 440.519 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722587257 IGNUCWQBBBYIRV-GOSISDBHSA-N 436.535 4.524 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 1722593784 AMRPBMJPLCAWEZ-ICSRJNTNSA-N 446.473 4.974 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722605908 XEOMHKGRIBRTOY-FQEVSTJZSA-N 443.661 4.665 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)Oc1ccccc1F 1722645036 YGXJRYSAEVGPBG-DBXWQHBBSA-N 430.568 4.816 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@H](C)C1 1722655897 MKVHIAAMLJCDKB-NRFANRHFSA-N 446.643 4.805 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)nc1 1722673116 JBQMPZAUMRGLSC-UHFFFAOYSA-N 430.943 4.672 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccsc1 1722691864 OFNZNQHUSARFPL-SFHVURJKSA-N 429.590 4.638 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2nc(C)c(C)s2)C1 1722716908 ZHDLRIRGWCGFRJ-QGZVFWFLSA-N 444.004 4.696 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)C1 1722719955 CXLWDSNZMYRQQM-KCZVDYSFSA-N 444.645 4.553 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740588338 QFDJFLAWOKVJKP-HXUWFJFHSA-N 437.588 4.503 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OC)CCC(C)CC1 1740603626 YSPGHIHSTSLZDL-JZGPVCMCSA-N 426.630 4.796 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1740743602 AFZZVNSKAIZOGV-UHFFFAOYSA-N 446.393 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCC2)n1Cc1ccc(I)cc1 1740773471 WDTXBVRYSWLLPQ-UHFFFAOYSA-N 436.341 4.601 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740815990 RCDMVDLDAWUXQU-DOTOQJQBSA-N 438.428 4.649 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1740827659 FPCSQNCSVACMFI-QHCPKHFHSA-N 449.599 4.998 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(COC)CCOCC2)CC1 1740833677 VZVSGKBLYNKOLJ-HSZRJFAPSA-N 438.616 4.666 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)OC)C1CC1 1740908036 ICXMAYVARXJQFD-UHFFFAOYSA-N 439.785 4.941 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1740913454 MXQBCJFWQQSLRO-UHFFFAOYSA-N 443.473 4.782 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CC1 1740923112 ZIOFGFCSLKEWHM-IBGZPJMESA-N 438.597 4.814 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C[C@H]1CCOC1)C1CC1 1740942855 NOTNBTVQXAONRD-QZTJIDSGSA-N 430.980 4.880 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2cccs2)C1 1740985658 SGRFSAXSHOYWHO-NRFANRHFSA-N 438.597 4.559 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(Oc2cccc(F)c2)nc1 1741131619 GJTFSWKVARIDTO-QGZVFWFLSA-N 436.535 4.837 30 10 IJEE CC(C)N(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1741968036 DECXCMUMSUZFLX-GOSISDBHSA-N 445.011 4.542 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOC2CCCCCC2)cc1 1748636849 HFROZNIROZHORF-VWLOTQADSA-N 437.588 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(N(C)C)CCCC1 1748646507 AFZZVCCVTHWBLL-FQEVSTJZSA-N 444.627 4.685 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCC[C@@H]1CC 1748687264 GMYMYVJPHSJOHE-RTWAWAEBSA-N 425.646 4.601 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1748779821 WRHLEMLKGWQJJV-JXFKEZNVSA-N 430.980 4.518 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Cl)cc1 1749124577 OTZQEERYYGHNDR-DENIHFKCSA-N 437.975 4.654 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCSC(C)(C)C1 1749391505 QBDULTDNGNZNHH-UHFFFAOYSA-N 438.439 4.734 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1749415558 ULDHGWQNNCEINW-SFHVURJKSA-N 442.514 4.630 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCOc1ncccc1Cl 1749540940 GVBHFVIMDRXHEQ-UHFFFAOYSA-N 429.927 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccccc1 1749554473 TVAQDCPFCFQDFE-URXFXBBRSA-N 438.597 4.682 30 10 IJEE Cc1cnc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1751731597 BRVYRJMMTHSORJ-KOSHJBKYSA-N 434.613 4.762 30 10 IJEE C[C@@H]1CCCCN1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H](C)CC#N 1752128876 AAQTXKNJZJPDGR-QZTJIDSGSA-N 446.546 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C(F)(F)C12CCC2 1760103814 MNZUPCWZSCDQFM-RHSMWYFYSA-N 449.343 4.909 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760134005 XDDHTETZTNCWAU-FPOVZHCZSA-N 440.588 4.548 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCSC2(CCOCC2)C1 1760134769 YFAAKAOGISMCOW-UHFFFAOYSA-N 431.005 4.504 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1760155950 PMECILBLVSLLPA-XUZZJYLKSA-N 449.624 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@H]1C 1760298260 ZQXGATPLBCHRGX-PMAPCBKXSA-N 445.032 4.889 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1760332687 KZYNGZQCBLTPIM-DENIHFKCSA-N 436.629 4.887 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760344106 WGCIKIAJVYRABA-ROUUACIJSA-N 443.567 4.790 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC2(O)CCC2)CC1 1760404578 DBIDEXABSDZDOZ-UHFFFAOYSA-N 438.616 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760409780 HAGKOUDZFPSARK-IBGZPJMESA-N 425.577 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760416063 SYYCRZYMGOBNPW-YADHBBJMSA-N 440.588 4.616 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccccc1OC 1760429379 AOBUWLMTSUDVHD-QFIPXVFZSA-N 434.588 4.846 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CSCCS1)C1CC1 1760475672 PXFJVDPUJNRFBQ-LJQANCHMSA-N 432.684 4.882 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CCCCC1 1760478141 WYUPGAGTXUQLGF-AREMUKBSSA-N 449.599 4.806 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(N(C)C)cc1 1760497585 LGVQGQFAZJZLOB-DHIUTWEWSA-N 437.632 4.684 30 10 IJEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccs1 1760771619 FYCGWGVREVHTNR-IBGZPJMESA-N 448.596 4.525 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1761541750 ADRXXYMGGYTDJN-DEOSSOPVSA-N 440.661 4.679 30 10 IJEE CSc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1770489851 BCDBFBRSEJOGON-OFNKIYASSA-N 425.602 4.614 30 10 IJEE COC[C@@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1770747493 AOVXXBJCYTZZAS-CPJSRVTESA-N 439.604 4.702 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccn23)cc1 1858242187 TXNXXNRETJXBOI-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)c(O)c1 1862385638 UOLRJNLUZMFQSX-XTZNXHDOSA-N 436.291 4.781 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(=O)OC)cc1 1862435487 XFBAEECYPARMJE-YJYMSZOUSA-N 427.884 4.503 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc(Cl)c1O 1862484309 LTWYLDMOCOKAJV-LJQANCHMSA-N 429.900 4.597 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(O)cc2)c1 1862490466 WFOLUZVBEFRJQJ-DEOSSOPVSA-N 443.499 4.666 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(Br)c2)ccc1F 1862509218 AZZAYWYRWLJFID-GOSISDBHSA-N 430.273 4.637 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cc(Br)ccc1F 1862511856 HQAVHLPJDWRDAE-GOSISDBHSA-N 448.263 4.800 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(F)c2)cc1 1862555898 KQMMCGVIEUQNPR-NPMXOYFQSA-N 446.478 4.756 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862561348 OHIHXDHYLMXFHK-JOCHJYFZSA-N 436.552 4.571 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862561866 YTAJNCSRMJTLHA-JOCHJYFZSA-N 443.528 4.633 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862595179 JXYWPEYRXUFBIV-XMMPIXPASA-N 446.547 4.927 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccccc2F)cc1 1862614971 GIDKDPURONOUSP-JOCHJYFZSA-N 447.510 4.667 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862642085 HOTBFWDPJQXVON-HXUWFJFHSA-N 442.443 4.511 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2F)cc1 1862687673 NXVCWHMJSKWVNU-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862694788 RYVMTUCWZFYHPY-GNSUPJDDSA-N 449.503 4.550 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1C 1862881433 NCWKROHHPUYJQV-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2C)=C(c2ccc(OCC)cc2)C1=O 1863211401 OZMBUPFMJDVDKU-UHFFFAOYSA-N 433.552 4.618 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2ccc(Cl)cc2)C1=O 1863533568 JGUIYJCHMDRLRM-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE CCCC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 1866946453 PEKQHBBEPXPPJW-QRWLVFNGSA-N 442.357 4.738 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)c(C)c1 1870144962 PWDXDTIOMNYLLE-UHFFFAOYSA-N 425.492 4.707 30 10 IJEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 1871282096 PDAXWCBPVMLYNO-UHFFFAOYSA-N 445.500 4.902 30 10 IJEE Cc1c(OC(=O)CNC(=O)c2ccccc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871367212 ZOATYNVZSLRKQK-BKUYFWCQSA-N 447.874 4.600 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871412438 RQYMIKOULCNSIL-VRHSPDTKSA-N 433.435 4.857 30 10 IJEE CCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871418879 RVTLJIAICAZBDR-KSEXSDGBSA-N 449.503 4.926 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N(CC)CCO)n1 1871664014 XEFNHLJVTPUJIH-UHFFFAOYSA-N 435.016 4.590 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cc(C)ccc1C 1872104719 TVRYXCGHUGKUSX-QFIPXVFZSA-N 439.581 4.769 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872166041 IZJYSQMRIYIKCA-NZQKXSOJSA-N 449.661 4.648 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)c(F)cc2F)C1=O 1873245460 JFGYZWXRDPXENZ-ZUOKHONESA-N 439.437 4.746 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(N4CCCC4)cc3)c(=O)oc2c1 1873947003 LTLVGUPXCKFYEZ-UHFFFAOYSA-N 432.520 4.838 30 10 IJEE CCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 1874534096 RARPVVWFVUWMMP-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OCCCO 1874637340 VMCJIQVDOBRVMC-AATRIKPKSA-N 441.307 4.677 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1 1875130403 GKMJCSVDHIYMHP-KPKJPENVSA-N 427.453 4.850 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1875169597 PDTIDDQOSWBEDR-VOTSOKGWSA-N 432.900 4.812 30 10 IJEE CCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 1875172886 BQRJDRBRJDDLGE-BQYQJAHWSA-N 434.872 4.586 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1922104638 SVHZNYYGRWDIBQ-DENIHFKCSA-N 442.522 4.927 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)[C@H](CN)CCC12CCC2 1924924640 FOTXFPBVHBIONH-BTYIYWSLSA-N 434.378 4.992 30 10 IJEE CC(C)(C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(C(F)(F)F)C(F)(F)F 1951936970 RZEXPDKFCFHBHX-LLVKDONJSA-N 433.320 4.615 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C#N 1985178819 CUTKWVCOVLIZQO-MHPIHPPYSA-N 445.563 4.844 30 10 IJEE CCCN[C@@H](CC#C[Si](C)(C)C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2014167703 BJZPWIHRVAJYJS-GOTSBHOMSA-N 445.724 4.651 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C2(CCC2)C1 2019916521 FGTUAIDIYYXYQK-LSDHHAIUSA-N 447.498 4.715 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)O1 2073939215 XUSGRYTYVSYYFJ-ZRBLBEILSA-N 446.632 4.979 30 10 IJEE Cc1cc(C)c([C@@H](C)n2nc(C(C)C)c(/C=N/O)c2I)cc1C 2078980572 GVGXVMCURLPQKR-UMXKZIAQSA-N 425.314 4.954 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)c(F)c1 2080055996 NIEDIBICAAXXFA-KRWDZBQOSA-N 439.272 4.630 30 10 IJEE CC(C)CNCC1(CCC#CBr)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2114273966 HXWNQZFOWAHNRW-HTZLVSCSSA-N 427.427 4.916 30 10 IJEE CN1C[C@@H]2CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3Br)[C@H]2C1 2152852435 CDNSGXHZUHXHIL-CKJXQJPGSA-N 434.378 4.815 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1Br 2180920253 LZQLSGSMKJOHOV-AWEZNQCLSA-N 449.267 4.713 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)cc1Br 2181048405 YIIPKVWWCUEKLK-HNNXBMFYSA-N 438.366 4.836 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(Br)cc1C#N 2181053107 JEZWMAQHHGHHOG-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2Br)CC1 2181107646 KJDKNFVUFOMKIQ-CABCVRRESA-N 436.350 4.733 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)cc(F)cc2Br)C1 2225592690 HMYKNZCKFKGCKR-MRXNPFEDSA-N 431.321 4.991 30 10 IJEE Cc1cnc(Oc2cccc(CNC(=O)OC(C)(C)C)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2232300832 AILYSKHLRAEHQU-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1ccc(F)cc1I 2235733040 ZOOGJKRHYCNXND-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE C=C(COCc1ccccc1)[C@](CNC(=O)OC(C)(C)C)(OCCC(=O)O)C(C)(C)C 2252116064 YZLPIRHPFYNPII-DEOSSOPVSA-N 435.561 4.560 30 10 IJEE CC1(C)OB(C2(C(=O)NC3CC4(C3)CC(OCc3ccccc3)C4)CCC2)OC1(C)C 2255541203 YKWXCESVJVURNZ-UHFFFAOYSA-N 425.378 4.647 30 10 IJEE C=CCOc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296073523 NETXJSACVRRLNH-OAQYLSRUSA-N 446.528 4.951 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(O)C#Cc2cccc(Br)c2)C1 2296217493 VFVULABAONWFDE-KPLVRAHFSA-N 434.374 4.589 30 10 IJEE COc1cc([C@@H](O)C#Cc2cccc(Br)c2)ccc1NC(=O)OC(C)(C)C 2296226310 FJUZOYRYYOZJDH-SFHVURJKSA-N 432.314 4.890 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2296274188 SLFWAYMQQNAFPJ-OXQOHEQNSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(I)ccc1F 2296284570 SCJPJYGIMPYOLG-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(CC)CC(NC(=O)OC(C)(C)C)C1 2296293282 HYLLWCGCWDTNSY-GSVIPDFHSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2296301812 ZKXHJOGJUPRREW-PGRDOPGGSA-N 435.406 4.862 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccccc1 2297746048 IVVFFMMBWBXTPC-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE Cc1cc(Sc2cc(I)ccc2Br)c(C#N)cn1 2316385769 ZUCJKKYYLNEGSZ-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(C(=O)OC(C)C)o2)c1 2318582135 VCUUDKXIPMEQTR-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2322775692 OPMCEHQMVNDPMX-UHFFFAOYSA-N 443.455 4.625 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1C 2323580320 XUHLRSZQJXULDB-UHFFFAOYSA-N 445.515 4.604 30 10 IJEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2323594767 HLALRQVHQZRGLS-UHFFFAOYSA-N 431.375 4.969 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)OCC(C)C 2323852563 CNNVOMSMHJBXKI-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 2324683569 YICUZJUZXGGKMD-UHFFFAOYSA-N 449.459 4.985 30 10 IJEE Cc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326265661 JBNNUJNIRTWCCR-UHFFFAOYSA-N 427.288 4.618 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1[N+](=O)[O-] 2326567549 UYENPBUCXCQPAX-UHFFFAOYSA-N 449.895 4.942 30 10 IJEE CCOc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SC)cc1OC 2328003431 SMQNJDSEGTXBEJ-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2N=Cc2cccc(Cl)c2)cc1C 2328966733 CTQKDRIEYJDBAV-UHFFFAOYSA-N 428.989 4.690 30 10 IJEE CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329265050 RHQFCPIQBCLGOB-UHFFFAOYSA-N 440.569 4.668 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1)Nc1ccccc1F 2330456960 WJPWGJLSBILDSR-UHFFFAOYSA-N 445.523 4.621 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2F)cc1 2330824013 JWYXIMQFMRGCAO-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2[C@H]2CCCO2)cc1 2331007240 MYAMXPCWBYQHPH-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CCCC1 2331045447 RZQAUKRKMKLASW-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cccc(C)c1 2331115658 GNLJTUWFTRJHNA-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccccc2Cl)o1 2331529324 XDCFZRMTAKVMGL-UHFFFAOYSA-N 430.917 4.753 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(OCCC)c(OCC)c1 2331728894 RTBNPOXOYBPCKR-UHFFFAOYSA-N 448.589 4.517 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332148820 JVSDKGQMHQXUTN-UHFFFAOYSA-N 426.307 4.774 30 10 IJEE C=CCN(C[C@H](NC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2337521911 WZQXEKJANKUBJW-SFHVURJKSA-N 425.367 4.674 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1cccc(Br)c1F)C(=O)OC(C)(C)C 2337915595 LCVOFAFIQBYRHK-QGZVFWFLSA-N 427.358 4.889 30 10 IJEE C[C@H]1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339582806 SHBZPGZWHBFQEV-HKUYNNGSSA-N 444.381 4.751 30 10 IJEE CCc1ccccc1NC(=S)/N=C(\NCc1ccc(OC)cc1)Nc1nc(C)cc(C)n1 14156695 ROSGJUXJMKMEGZ-UHFFFAOYSA-N 448.596 4.619 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1)Nc1ccc(Cl)cc1 21081239 JJJQNOGMRIVGKO-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOC)cc1 34943301 XQXGSRKLKHQFEE-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE C=CCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 36306318 WJJFSWDMIMKFPR-HSZRJFAPSA-N 449.595 4.963 30 10 IJEE Cc1cc(C)cc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)c1 38623045 BPIZRIXIDNYFQE-OALUTQOASA-N 430.504 4.610 30 10 IJEE C=CCc1ccc(OCCCCn2c(CCNC(=O)C(C)C)nc3ccccc32)c(OC)c1 40198303 KPXCOMWJAOAABU-UHFFFAOYSA-N 449.595 4.947 30 10 IJEE C=CCn1c(=O)c(CCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(C(F)(F)F)ccc21 40563556 RNEGTLRRZSIBHM-UHFFFAOYSA-N 441.453 4.661 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)NCCNc1ncccc1C(F)(F)F 58470569 LXCYRCFYSCSAIQ-UHFFFAOYSA-N 442.466 4.965 30 10 IJEE COc1cc([C@@H]2/C(=C(O)\C=C\c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)ccc1O 103090078 BBBBPCXWSLZGFE-CHWRZKEESA-N 441.483 4.892 30 10 IJEE CCOc1cc(/C=N\n2c(Cc3ccccc3)nnc2SC)cc(Cl)c1OCC 169916133 QJWACNYOKOVVMM-UCQKPKSFSA-N 430.961 4.924 30 10 IJEE O=C1CCCC2=C1[C@H](c1ccccc1OCc1ccc(Br)cc1)NC(=S)N2 169939076 PDHJBIBXJAURRS-FQEVSTJZSA-N 443.366 4.554 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccs1)c1cccc(Cl)c1 169983376 VRJUIGDAEROTIC-LJQANCHMSA-N 439.876 4.913 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(F)cc2)ccc1F 170065727 AZKPCNUSGZCBPH-NRFANRHFSA-N 445.425 4.932 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(N(C)C)cc1 170129988 QYGDVYWPCNLZLY-HSZRJFAPSA-N 434.536 4.591 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1cccc2ccccc12 170221009 DDIAFYOJVOWTCB-QHCPKHFHSA-N 431.488 4.845 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(O)c2)cc1 170258901 RDRHSOOZGUPFQM-QHCPKHFHSA-N 445.471 4.668 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCOC(C)C)[C@H]3c3ccccc3C)oc12 170270657 BGGVAPLDYXELMM-QFIPXVFZSA-N 449.503 4.753 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccco1 170290757 OVZLBYWAJBVXQK-HXUWFJFHSA-N 439.414 4.966 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1C(C)C 170292577 STWJSMLPKFTTGX-HSZRJFAPSA-N 446.503 4.894 30 10 IJEE CCOc1cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)ccc1OCC#N 252627392 RTGLEGQWEWTROQ-XOLKAKTPSA-N 437.521 4.620 30 10 IJEE Fc1ccc(I)cc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CS 382718299 LXXWIICYQHYPMZ-RHSMWYFYSA-N 427.326 4.576 30 10 IJEE CSc1nc(O)c(C(=O)Nc2nc(C)c(Cc3cccc(Cl)c3F)s2)cc1C#N 447183777 FEWHQOOXORHZBZ-UHFFFAOYSA-N 448.932 4.781 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1 487852827 HHZXNBTXVWBFHL-UXHICEINSA-N 444.535 4.868 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508879509 FYMMGEWMGAOERF-UHFFFAOYSA-N 427.637 4.642 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 508953018 SRHFXFMJKQWQSP-RTWAWAEBSA-N 440.906 4.511 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnn2CC2CCCCC2)nnc1-c1ccccc1 515482866 NWVGDSXLSJYECA-UHFFFAOYSA-N 436.585 4.639 30 10 IJEE COc1ccc(CCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OC 522311419 HKELOBBLLHSUAN-UHFFFAOYSA-N 430.504 4.517 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1OC 526815899 WLYQJRXVDVTTLB-MSXFZWOLSA-N 446.960 4.912 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(OCC)c1OC 526822769 NWJXQKKGRFATNY-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE C=CCCOCCCCC(=O)N1CCC[C@@H]1c1ccc(I)cc1 540489458 CJWJIJSJFFDVFJ-GOSISDBHSA-N 427.326 4.718 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H]2CCCO2)CC1 549517575 OPTDAZHRBDAZOG-NRFANRHFSA-N 434.540 4.699 30 10 IJEE C[C@@H](NCC#CCN[C@H](C)c1nc(C2CCCCC2)no1)c1nc(C2CCCCC2)no1 551703441 AABOLFADZQVHCA-QZTJIDSGSA-N 440.592 4.553 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@@H]3CC[C@H](C2)N3C)CC1 554915843 BIIFPPCGOHOMQX-OZBUEDJQSA-N 445.051 4.594 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 555253907 UYPVLJLNJGXMOV-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 670202301 MTVVVDVLGZKCTR-DVKRWUGUSA-N 436.600 4.742 30 10 IJEE C=C(COC(C)C)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686823732 MZWYQNOXELFVAI-QHCPKHFHSA-N 445.648 4.505 30 10 IJEE C#CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C 733248124 ZFMWZPCILBQYGL-UHFFFAOYSA-N 445.375 4.781 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)CCCO2)[C@H]1CCOc2ccc(Br)cc21 733631430 CBLARMRFJDAHKH-IBGZPJMESA-N 441.325 4.765 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)NCc1ccc(OC(F)(F)F)cc1 742990391 NTDGGRUOXVSESH-UHFFFAOYSA-N 425.432 4.556 30 10 IJEE C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 755010241 IMBJWLFGPXFWRA-MDJJKAFGSA-N 439.493 4.574 30 10 IJEE C[C@@H]1CCCC[C@H]1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1 762442317 ZZTGOABLLUCWCR-AUUYWEPGSA-O 428.965 4.584 30 10 IJEE C[C@@H](OC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 766772071 RWWZTDNEHJDIDZ-GFCCVEGCSA-N 436.455 4.630 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)/C=C\c1cccc(Br)c1 796121716 MSCMHXAOYCEQJT-HJWRWDBZSA-N 438.391 4.605 30 10 IJEE COCCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nnc1N(C)C[C@@H](C)C#N 802488867 CLBRCAPYISUERD-IBGZPJMESA-N 440.551 4.711 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1ccc(Cl)cc1 811944272 BNHYPEFBGAFXBX-HNNXBMFYSA-N 439.224 4.697 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1ccccc1 812189035 YAMJPHMWPACYNR-QFIPXVFZSA-N 431.540 4.622 30 10 IJEE COc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3ccccc3)CC(=O)O4)C2=O)cc1OC 1081804440 XAFZCTQPDQHWQI-MNOULKQQSA-N 428.440 4.761 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1)c1ccccc1 1126147630 HVHWXENUPFXXTL-RDGATRHJSA-N 448.607 4.827 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C)Oc2ccccc2Br)cc1 1128302054 RVNGTCMEXMVDHH-HNNXBMFYSA-N 432.314 4.865 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)cc1OC 1128721791 CXFVOQDSOROCRM-NTUHNPAUSA-N 432.451 4.677 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1noc2ccc(Br)cc12 1128907025 AGDVNDKLNRXSCP-UHFFFAOYSA-N 431.334 4.515 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1ccc(Cl)cc1F 1129616835 WYCSFHZDXHGAQA-DEOSSOPVSA-N 437.898 4.970 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)CCCC1(C)C 1139512159 YUZRITZUVLJOFO-NCYKPQTJSA-N 434.621 4.774 30 10 IJEE N#CC(CCN1CCN(C(=O)OCc2ccccc2)CC1)(c1ccccc1)c1ccccc1 1192358001 BLASRTZJQAWDKF-UHFFFAOYSA-N 439.559 4.841 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)CC1 1201548588 RVYKYEYAACFCRT-NNUKFRKNSA-N 429.318 4.690 30 10 IJEE Cc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccccc1 1205652367 HRELJJQIQNWVME-KRWDZBQOSA-N 434.521 4.550 30 10 IJEE C#CCCNC(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1216207790 AGXIGHIOWQNKAP-UHFFFAOYSA-N 427.302 4.656 30 10 IJEE C[C@H](c1cccnc1)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1216826971 DBANGFFBRNBUKM-LJQANCHMSA-N 427.508 4.656 30 10 IJEE C=CCCCN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1222496748 UZGMLQLCSQSYNY-OAQYLSRUSA-N 434.989 4.831 30 10 IJEE C#C[C@H](NC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21)C(C)C 1251644851 BSQOTSCUQSMCTQ-QHCPKHFHSA-N 445.563 4.544 30 10 IJEE COc1cc(OC)cc(C(=O)c2c(NC(=O)c3cccc(C#N)c3)sc3c2CCCC3)c1 1264077478 CZCIITZQXVRKMP-UHFFFAOYSA-N 446.528 4.999 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CCOc3ccc(Br)cc32)cc1 1269746273 XXILDTLSJANLEK-SFHVURJKSA-N 444.325 4.963 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc4ccn(C(F)F)c4c3)CC2=O)cc1Cl 1278589727 BYDYUURRVIONPW-CQSZACIVSA-N 428.826 4.553 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286317805 UMPPACJSEWCBFM-LJQANCHMSA-N 445.405 4.681 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCO[C@@H](C)c1ccccc1 1286425371 YHFSCGBGNDLRGE-FQEVSTJZSA-N 447.970 4.624 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC(c2ccccc2)CC1 1286543969 CPLFSWDZSYDPSS-UHFFFAOYSA-N 438.373 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@H](C)C1 1286551279 LMUCNQWDWPHFLY-YYDVJCTNSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1286637872 ODLZNPKASMREBK-KNQAVFIVSA-N 440.588 4.788 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC(C)(C)C1 1286669130 YYXNCYNEWQWLBP-UHFFFAOYSA-N 442.604 4.960 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC)[C@@H](C)C1)c1ccccc1 1286679814 TXUDMGJKUKGMPN-GMAHTHKFSA-N 430.600 4.539 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286682864 WSBPUAPQPKSIDB-UHFFFAOYSA-N 443.599 4.903 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCOCCC(C)C 1286718060 WGHLCTADJMSBFY-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286753932 NEMFOQSJESJYME-PZJWPPBQSA-N 437.588 4.769 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC1(OC)CCCCC1 1286759759 GWRNLQAZVQQGFI-UHFFFAOYSA-N 431.584 4.925 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CCc1ccc2c[nH]nc2c1 1286766300 PFYPLZMICAKETB-UHFFFAOYSA-N 432.572 4.814 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CC[C@@H](F)C2)C1 1286805259 PLIYJGBAJRDSJU-GVDBMIGSSA-N 449.368 4.627 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1286833951 VQKZMSPNSYROKS-UHFFFAOYSA-N 443.979 4.538 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1cccs1)N(C)C 1288516845 FKRZGJACKCNLPR-OXJNMPFZSA-N 433.585 4.529 30 10 IJEE C=CCC[C@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1C)c1ccccc1 1297968061 MBJQDAOSSGPYMM-NQIIRXRSSA-N 430.386 4.775 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1300365176 QSPUTVNXTASIJX-FQEVSTJZSA-N 446.542 4.850 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1300565987 ZNJMRBOZXJQXOC-ILBGXUMGSA-N 442.563 4.786 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H]1CC=CCC1 1300733380 JRSFXFHOKQYVFL-OALUTQOASA-N 428.577 4.716 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1301055744 RVOAMLVCEHUDKP-QVKFZJNVSA-N 440.922 4.547 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2C1 1301060549 HZCAEXHIGITKBJ-IBGZPJMESA-N 443.979 4.665 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCOC2)CC1 1301105708 MJINPWXROXDAQP-MJGOQNOKSA-N 430.980 4.901 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1301127105 YOTYQQNUEWMFKE-RPWUZVMVSA-N 437.632 4.658 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301214549 CHLPVAIKQYWNSG-GGAORHGYSA-N 432.616 4.739 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1C 1301399988 ZTPINMMGSOITBE-UHFFFAOYSA-N 444.970 4.980 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(c3ccccc3OC)CCC2)C1 1301558640 XJIXQUNNMKBTLC-FQEVSTJZSA-N 438.616 4.779 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 1310195309 FTRJVVMQIZQJKD-SANMLTNESA-N 432.568 4.865 30 10 IJEE C=CCOc1ccc(CNC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1 1312672373 NQGUFFSPDJDBHT-UHFFFAOYSA-N 435.490 4.544 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1 1312702715 YFGSQOBTFUCEML-HXUWFJFHSA-N 449.576 4.567 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 1313126337 RPJOYPKNGQSHHA-JOCHJYFZSA-N 440.588 4.573 30 10 IJEE C=CCc1ccc(OC(=O)c2cnn(Cc3ccccc3)c2Br)c(OC)c1 1347807089 DDISJSXPZKWZAG-UHFFFAOYSA-N 427.298 4.650 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2ccc(CC)cc2)c(C(=O)OCC)c1C 1349733047 BOXUAWURGUTZHN-UHFFFAOYSA-N 429.538 4.710 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 1353027578 OLNIEDGBNZMNRS-QFIPXVFZSA-N 440.547 4.756 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CC12CCOCC2 1358881549 IEHZHEIRRZKQIR-IRLDBZIGSA-N 436.600 4.645 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1cccs1)N(C)C 1358899398 MKZBJFIHQIGQDR-QUCCMNQESA-N 439.654 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCOCCCC 1359066502 DDWWBXHDNGAFMT-JOCHJYFZSA-N 445.405 4.825 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCO[C@H](C)c1ccccc1 1359072814 RICSPWGSYDIJHT-KBMIEXCESA-N 449.624 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(F)cc1Cl 1359115582 FQWLUTSDGOSQMM-UHFFFAOYSA-N 430.959 4.577 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1359119814 PFWXEIURHFCYBN-FCHUYYIVSA-N 440.588 4.712 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CCCCCCC1)c1ccccc1 1359139764 CTJDGHALDUGPIE-UHFFFAOYSA-N 435.597 4.754 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCN(C)C2CCCCC2)CC1 1359180196 VZHGIALMRPZUBH-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCC[C@H](C)C1)c1ccccc1 1359192593 JQHUYLDIXXNCLA-WWNPGLIZSA-N 435.616 4.889 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@@H]1CC)c1ccccc1 1359195241 JGBZHCDUEMZKGJ-FGQYTZQDSA-N 438.616 4.987 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(Cn2ccnn2)CC1 1359210775 GZARCUASPAKQFM-UHFFFAOYSA-N 446.386 4.726 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1359218837 WSHZFTMLXDKPCB-UHFFFAOYSA-N 426.605 4.822 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCCC1(C)C 1359234950 HUNLUHVJRZOGON-RUZDIDTESA-N 436.556 4.681 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1359235343 WJTWYNNYMVVGGJ-WIYYLYMNSA-N 449.368 4.674 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1c(F)cc(F)c(F)c1F 1359277367 KHDAKQHUQNEMAA-UHFFFAOYSA-N 436.453 4.909 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C(C)(C)C)no2)C1 1359316729 VEJNOZFEBSKBLF-SFHVURJKSA-N 441.963 4.714 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1 1435976691 OJNYGIIFYUBKGA-NZQKXSOJSA-N 440.927 4.508 30 10 IJEE C=CC1(CC(=O)Nc2nnc(-c3ccccc3Cl)s2)CN(C(=O)OC(C)(C)C)C1 1442219908 HHXAPPRFTBCEPB-UHFFFAOYSA-N 434.949 4.610 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Nc2cccc(OC)c2)cn1 1453494714 PIJGPNFXYMADIT-UHFFFAOYSA-N 441.491 4.837 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1F 1465248891 CBKXFWIVZRSFKT-UHFFFAOYSA-N 446.360 4.883 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SCc2ccccc2)cn1 1466533522 NZNNOQREXIPZME-LJQANCHMSA-N 425.554 4.619 30 10 IJEE CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)n[nH]2)c1C 1466586479 DNNFXIQLONMPCT-INIZCTEOSA-N 428.540 4.662 30 10 IJEE C=C(CO)C(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 1471740454 WVYVYFHAEFWXKU-UHFFFAOYSA-N 428.685 4.541 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1(CC(=O)OC(C)(C)C)CCC1 1476728753 CBEZYXOYWHKBSO-UHFFFAOYSA-N 439.350 4.790 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1507559344 QWKDCHVFLXGDRV-VXKWHMMOSA-N 435.616 4.578 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 1507688462 ATMMCBXOFORAIL-UHFFFAOYSA-N 443.636 4.849 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)Cc1cccs1 1507699287 BEVZYOIBPWLFPU-SFHVURJKSA-N 433.556 4.992 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1cccs1 1507780104 LSQSDVCSBQTYQP-UHFFFAOYSA-N 438.782 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1507802418 ALLBSYOAHSCTAE-SIKLNZKXSA-N 426.561 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1507802874 DEUDSKPYARTZBG-JTAQYXEDSA-N 444.620 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CCC1 1507818120 KWBUGVYTDOSTTN-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1507843707 RIUORFMXNGVYSO-IBGZPJMESA-N 429.634 4.931 30 10 IJEE C=C(Cl)Cn1c(N(C)C/C(C)=C\c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 1507874212 HJMSSZNIJJXIET-ZLKNRPIFSA-N 430.980 4.611 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1507930005 XKWOUOHLHNZSOH-FXAWDEMLSA-N 429.996 4.843 30 10 IJEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCCCCC2)C1 1507956647 QSPDJZDLLAEJQF-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1507968239 RDBYONFNPWOPTR-IERDGZPVSA-N 432.515 4.514 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1nc(C)cs1 1508008299 MPRKZQAMVDQYCP-WMZOPIPTSA-N 443.642 4.995 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2sc(C)nc2C)C1 1508115788 LNSAETOHBUXTDN-NRFANRHFSA-N 437.613 4.605 30 10 IJEE N#Cc1cc(C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cnc1C(F)(F)F 1519393807 CZZJWSHULWGAGF-IBGZPJMESA-N 431.364 4.964 30 10 IJEE C#CCN(C(=O)[C@@H]1SCCc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 1521818262 BBZAXWNXOCMYTP-TZIWHRDSSA-N 442.378 4.765 30 10 IJEE C=CCN(C(=O)c1ccn(Cc2ccccc2)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1522959932 REPXTBCMSDOBIL-VWLOTQADSA-N 430.548 4.647 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)cc1 1523487035 WJPHXIPZFYOSJJ-UHFFFAOYSA-N 437.471 4.765 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)CCCC1(C)C 1524930637 IOHKCCSAWNSLIC-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 1527806626 DPVQMTVVVNMWDA-GOSISDBHSA-N 431.349 4.625 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 1529909936 YAUWHBMIBPKZKL-HSZRJFAPSA-N 442.946 4.903 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CCCC1(C)C 1530837409 AISKGXCAKYBIEE-IPJJNNNSSA-N 432.630 4.560 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)cc1C#N 1534395963 BJZAREWSVGZIED-UHFFFAOYSA-N 438.871 4.832 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c1 1534511701 BGHNYJSUOXPLOR-UHFFFAOYSA-N 445.950 4.749 30 10 IJEE C#CC[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2F)CCCN1C(=O)OC(C)(C)C 1535320537 GMIUDWKTLHFMKR-FQEVSTJZSA-N 429.319 4.542 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c(C#N)s1 1535488390 GVUNNHVEPFBOGN-LBPRGKRZSA-N 446.370 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN(C)C1CCCCC1 1538983121 NQWQZBJSOYSQOL-SFHVURJKSA-N 445.558 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1539035886 VDWNFEPJQFVDLJ-WATLYSKOSA-N 439.673 4.847 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCCC[C@@H]1C 1539196772 WYKXMPDEWSSYEX-NRFANRHFSA-N 425.646 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](OC)[C@H](C)CC 1539538756 MRYJCNJIAJNBAT-YVXPOVKHSA-N 428.552 4.610 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCn1c(C)nc2ccccc21 1539659496 ZHCFPRMRLKRYLH-UHFFFAOYSA-N 435.963 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539910097 UGRHKBSWZDWMSY-KRWDZBQOSA-N 443.592 4.894 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(OCCC)nc1 1540051791 OCDOCNFSECKWBQ-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C(=O)OC(C)(C)C 1540283233 AIEQJDAGEFFPLT-UHFFFAOYSA-N 439.478 4.505 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1cnc(-c2cc(Br)ccc2OC)s1 1544269416 RZLQLZNRUYBENO-UHFFFAOYSA-N 441.350 4.857 30 10 IJEE N#CCC1CCN(c2nnc(C3CCCC3)n2CCc2nc(C(F)(F)F)cs2)CC1 1555995838 FCWXGNDMLRZQGR-UHFFFAOYSA-N 438.523 4.784 30 10 IJEE C=CC(C)(C)CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1557642642 YVJDEWJFMDHSOS-UHFFFAOYSA-N 440.487 4.838 30 10 IJEE C#CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 1559820726 NZFCWTGEWIYVBO-ROUUACIJSA-N 438.593 4.512 30 10 IJEE CC(C)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(Cl)cc1F 1561458092 CISJHOPKYIYGSC-QGZVFWFLSA-N 445.741 4.789 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](Cn1cccn1)c1ccccc1 1562928486 JQZBOKYVQLEAMG-IBGZPJMESA-N 441.329 4.773 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)c1ccc(Cl)cc1F 1563687145 HZXJHNKQZROEFJ-FGZHOGPDSA-N 443.950 4.688 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccc(Cl)cc1F 1568897975 MIKXOOFACSJLOW-QZTJIDSGSA-N 448.723 4.565 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 1583695695 MBFJDXQIVGGETO-IMSXRSKXSA-N 434.580 4.772 30 10 IJEE Cc1cc(C#N)cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 1583754883 HMKHLIHHUDRJPM-GOSISDBHSA-N 444.329 4.834 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)C1 1583967921 PQBRYWLTJYWBTI-FZMZJTMJSA-N 425.314 4.518 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 1584070757 AUSRUTFAEDMBAM-SFHVURJKSA-N 429.973 4.539 30 10 IJEE Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1cc(Br)cc(C#N)c1 1586310795 FXTMOVRJVULTJA-UHFFFAOYSA-N 445.294 4.893 30 10 IJEE COc1cc(OC)cc(Oc2cccc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2)c1 1587083802 BRFSOJMTSJFIHZ-UHFFFAOYSA-N 446.478 4.855 30 10 IJEE C=C[C@@H](OC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccccc1 1587278754 GFZMRMDOHFMPKA-XWALVKJWSA-N 427.522 4.888 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CC(C)(C)C1 1588162174 LVRSDEXIYBEYEI-UHFFFAOYSA-N 431.367 4.673 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@](C)(OC)C2)nnc1C1(c2ccccc2)CCC1 1589461058 XWXYDZXSYQNYLB-NRFANRHFSA-N 445.405 4.662 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1593654717 GLYJRGMYKRUWLO-HNNXBMFYSA-N 436.006 4.503 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1593872417 HNCUWYBXSBIVLZ-NVXWUHKLSA-N 440.979 4.613 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=C)Br)CC1 1594218591 LIZUIZISHOOKLP-UHFFFAOYSA-N 447.377 4.663 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1594627941 YAIVCCOATHVOIG-NRFANRHFSA-N 444.023 4.504 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1594692917 KGVUVWWNAMSBMP-AREMUKBSSA-N 437.632 4.510 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1ncc(C)s1 1595115218 GLVIZBWJQOWYFG-RXVVDRJESA-N 437.613 4.933 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(CC)C2CC2)C1 1595689879 XZBQCDHWUZJKIR-QHCPKHFHSA-N 437.632 4.508 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)s1 1596338909 XGMQHECLBLSVMN-UHFFFAOYSA-N 444.919 4.716 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1603352505 AGAFYBQWZNHVIG-INIZCTEOSA-N 425.337 4.585 30 10 IJEE C=CCN(Cc1nnc(-c2cccc(Cl)c2)o1)[C@H](Cc1ccccc1)C(=O)OCC 1617225343 PKUFXPXKSHGMHC-HXUWFJFHSA-N 425.916 4.552 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)C1CCOCC1 1618323132 RMOFHSZANBMRIB-IBGZPJMESA-N 446.378 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 1622699229 QGYWCBWLHGJZHQ-KUHUBIRLSA-N 432.318 4.739 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1623360340 VITSQYFAHYUNFP-OZXSUGGESA-N 437.543 4.580 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 1631675557 PAQOYIJJOOAAFB-HXUWFJFHSA-N 426.561 4.986 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)cc1OC 1632378226 OPGGFCUZAXKQCJ-WEVVVXLNSA-N 447.362 4.929 30 10 IJEE C#CCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1634803997 XHEKRBISTNIPCR-UHFFFAOYSA-N 426.582 4.545 30 10 IJEE Cc1c(C#N)cccc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1636344965 HUAAFWQHKPBGQA-UHFFFAOYSA-N 433.552 4.565 30 10 IJEE C#C[C@@H](NC(=O)N(CCOC)Cc1cc(Br)cs1)c1ccc(Cl)cc1 1636556394 BIWKCPCBUUTAGM-QGZVFWFLSA-N 441.778 4.697 30 10 IJEE COc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 1644314056 GECWZGFQMJJRHP-UHFFFAOYSA-N 438.343 4.942 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Br)c1F 1650764979 MUKZHWYAMQZWKR-KBPBESRZSA-N 426.330 4.955 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651539921 HCRJUJYFFPWIHN-BRWVUGGUSA-N 431.671 4.839 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(C)sc2C)c1 1653371254 SQXRHHCVRLLWKP-UHFFFAOYSA-N 428.531 4.928 30 10 IJEE C[C@@H](Nc1nccc(Oc2cccc(C#N)c2)n1)c1ccc(NC(=O)c2ccncc2)cc1 1655149362 GLUCKYBSHHWYPL-QGZVFWFLSA-N 436.475 4.961 30 10 IJEE Cc1cc(CC(C)(C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Br 1655506577 GOIMRYCIICPMPG-UHFFFAOYSA-N 441.778 4.582 30 10 IJEE C=CCc1cc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)cc(OC)c1O 1656397666 QYVNPFZIEKDPML-ZDUSSCGKSA-N 435.446 4.663 30 10 IJEE O=C1C[C@@H](NCc2c(F)cccc2OC(F)(F)F)CN1c1cccc(C(F)(F)F)c1 1657342267 HDWHMZXHSBNQCP-GFCCVEGCSA-N 436.327 4.638 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1 1660979601 VUJIOVYACXZEIO-HNNXBMFYSA-N 432.261 4.511 30 10 IJEE CC(C)Oc1ccc(F)cc1S(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1662648675 FGJQDRZZHYEARO-AWEZNQCLSA-N 444.450 4.735 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1scc(Br)c1Br 1663084955 RXPMHOITNMZCFG-MWLCHTKSSA-N 443.226 4.686 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1 1663211302 JPDHMWHFEUEDSV-CQSZACIVSA-N 435.293 4.930 30 10 IJEE CCSc1ccc([C@H](C)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)cc1 1667158262 DZKRPUZDJNTUQS-NSHDSACASA-N 443.363 4.611 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cccnc3OCc3ccccc3)CC2)c(Cl)c1 1667474745 FVUCPDASXLXPOV-UHFFFAOYSA-N 447.926 4.540 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NCCN3CCC4(CCCCC4)CC3)c2)nc1 1669400722 AMGNTRZWIZKJFX-UHFFFAOYSA-N 433.556 4.913 30 10 IJEE C#Cc1ccc(S(=O)(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1 1669578639 DWBHLHYYRUYQSI-HSZRJFAPSA-N 425.937 4.558 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 1670779767 ITZDMGJZIYCEMS-WOJBJXKFSA-N 431.458 4.595 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1)c1ccc(Br)cc1 1672590595 ZNMBKSANSRIZIJ-KRWDZBQOSA-N 445.267 4.717 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3cc(OC)c(Cl)cc3C2)cc1 1673819946 QTLDQFPLBIEHBC-UHFFFAOYSA-N 439.943 4.753 30 10 IJEE C#CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@H]1CCCc2ccccc21 1676432508 JSERDHKDCPQJFI-FQEVSTJZSA-N 441.325 4.780 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 1677189745 FBRSLOXARMXRDL-AREMUKBSSA-N 426.516 4.612 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1F 1681044415 QNENLMIQQZKROM-FQEVSTJZSA-N 444.293 4.839 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCCC[C@@H]3/C=C\c3ccccc3)C2=O)cc1 1681299789 AFKVZFSYWSWIEE-GRLGOICISA-N 442.563 4.721 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1)c1ccccc1 1685798734 FFNLTDXHNNDDRF-JOCHJYFZSA-N 438.572 4.635 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1686173822 POHKDFDVOSFZJW-HXUWFJFHSA-N 437.531 4.918 30 10 IJEE C=CCCCCNC(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1 1686185930 AUTPTULCWIZJRU-IBGZPJMESA-N 426.342 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1(OC)CCC1 1689830947 DXCHAIXOZTYIFD-QGZVFWFLSA-N 435.597 4.794 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1689895025 HCTAADXGVKXZQO-YADHBBJMSA-N 442.554 4.735 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(OC2CCCC2)c1 1689953921 DQPLKKTXNXPJID-UHFFFAOYSA-N 439.922 4.572 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@H]1C 1690026943 SBVSXRACMUXJPZ-SJORKVTESA-N 431.367 4.673 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1690066226 CHHJBYUGMDEZDX-HDICACEKSA-N 431.987 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCC1(F)F 1690196830 ZVNVFIXOZRWULN-DYESRHJHSA-N 429.471 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCC1(F)F 1690196831 ZVNVFIXOZRWULN-LAUBAEHRSA-N 429.471 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CCC 1690238325 HXDIDSUSRPHZFI-XQFWAAQXSA-N 434.588 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCC2(C1)OCCO2 1690271427 OTXJLPNSYFAAHE-FQEVSTJZSA-N 442.629 4.824 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1690415374 JISZYNVKGYUTMI-RXVVDRJESA-N 430.980 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1690435564 BGTFUMXSHQIYPZ-UHFFFAOYSA-N 436.526 4.890 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1690472127 FOLXFFQHPZUMQQ-ICSRJNTNSA-N 428.552 4.776 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCc1ccc(Br)s1 1690533456 ITNRCVXLXKYNIV-UHFFFAOYSA-N 447.402 4.854 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1690577020 ACWBGPDXKUSRAD-FQEVSTJZSA-N 443.567 4.991 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(Cl)s1 1690593146 VCQFXQPILHFYSC-UHFFFAOYSA-N 438.944 4.536 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC1 1690602124 IPDWYTRFNWVWEE-UHFFFAOYSA-N 426.362 4.681 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@H]1C 1705510511 QXZAZIDNIOMWGD-QZTJIDSGSA-N 430.980 4.879 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCOC2(CCCCCC2)C1 1705518492 MGVLZMGALCPKPC-UHFFFAOYSA-N 436.600 4.611 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705521548 DVLSNZXZSHHLPR-VSOVRNOCSA-N 445.032 4.625 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)Oc1ccccc1F 1705544847 GHTWIHXRSGDNMQ-IRXDYDNUSA-N 438.572 4.807 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1705735791 FSAVEFIVOFRTMA-UHFFFAOYSA-N 439.510 4.688 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCc2nc(C)c(C)s2)CC1 1705783714 RGZFNVDFDVMXNR-UHFFFAOYSA-N 425.577 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC1CN(C(=O)OC(C)(C)C)C1 1705863644 ACXQJPOWIMHZML-QGZVFWFLSA-N 445.633 4.913 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1705887498 KQCPGDBFNMNQQE-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(F)(F)F)C1 1705917022 QEHLSROQWHEVCP-MRXNPFEDSA-N 449.502 4.721 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2OCCC2(C)C)C1 1705919850 LVWXWZYAZYTYCM-FGZHOGPDSA-N 438.616 4.839 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCSC2(C)C)C1 1705927945 JGKGYZBZXGKWLL-IYWMVGAKSA-N 448.677 4.510 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1csc2ccccc12 1722392926 OJVCDBCVKUASJL-UHFFFAOYSA-N 445.979 4.914 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1c(C)nn(C)c1C 1722519535 BCOIEQPTJGWAII-UHFFFAOYSA-N 443.599 4.915 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1722526324 VBJVWOHQGIDSES-UHFFFAOYSA-N 431.584 4.828 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722590433 DJIRMNHWPFRGQB-NHCUHLMSSA-N 446.542 4.978 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCSC2(CCCCC2)C1 1722629663 VQSBHQLGYXQAHK-UHFFFAOYSA-N 432.659 4.779 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCSC1(C)C 1722634381 DSPNZRONRCNPRT-GFCCVEGCSA-N 427.437 4.923 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1Cc1csc(CC)n1 1722660765 FZRZUGVTPMPFFP-UHFFFAOYSA-N 448.571 4.663 30 10 IJEE N#CCCN(CC1CC1)c1nnc(C2CCC2)n1CCc1ccc(Br)cc1 1731187852 AOKNOSYOEZKYMN-UHFFFAOYSA-N 428.378 4.681 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(F)cc(F)cc2C1 1740569279 ALICAIIMDXHOCL-UHFFFAOYSA-N 427.886 4.638 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[C@H](COCc2ccccc2)C1 1740760151 GYARZEGUDXJLIS-ARNLJNQMSA-N 438.616 4.501 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1740780374 MJWNGWSNRMBYLD-QZTJIDSGSA-N 429.996 4.696 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1740821743 PYFCCZYLLYJOFR-UHFFFAOYSA-N 447.530 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2ccccn2)CC1 1740835768 ONTHAYATVBFFGM-UHFFFAOYSA-N 444.402 4.809 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CSCCS2)CC1 1740840877 CTDMLJFLHMGXBL-OAQYLSRUSA-N 444.670 4.725 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1740841829 BZSDRSQBBLXAFM-UGKGYDQZSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740843841 QZEHVEWYHYOHHU-SFHVURJKSA-N 426.565 4.629 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1740848075 BNCFAECBFHNBKP-JOCHJYFZSA-N 436.600 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@@]1(OCC)CCOC1 1740852944 VMTUAUGEBWIWGK-XMMPIXPASA-N 445.007 4.749 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2ccnn2C)CC1 1740868268 HWCQBJBYERIOLP-GOSISDBHSA-N 438.551 4.641 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(C)C)CC1 1740870285 MHCOHIWIDMERRG-IBGZPJMESA-N 427.662 4.876 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCn2ccnc21 1740894963 NWFNBLLEAYSSTC-NRFANRHFSA-N 434.588 4.766 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1cccc(Cl)c1)C1CC1 1740906125 DCHWYNINLWDRBX-QFIPXVFZSA-N 444.366 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1Cc1occc1C 1740925018 ILBLMDHIBTUHHZ-UHFFFAOYSA-N 431.309 4.975 30 10 IJEE Cn1cc([C@@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)cn1 1748014084 ARFLLGSSWIVNGX-QFIPXVFZSA-N 447.587 4.630 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1csc(-c2ccco2)n1 1748686733 VFVYYSZNEPBCLN-SFHVURJKSA-N 447.564 4.697 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1cscc1C 1748917377 WKYHUNBYVCUMEX-UHFFFAOYSA-N 433.350 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CSCCS1 1749055519 KERCPKJITFEIHK-TXTKFYIRSA-N 426.655 4.661 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749098860 PALKARMJQUDBFS-BETUJISGSA-N 441.320 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1Cl 1749127066 JEDIYLBKSXOJJT-KNQAVFIVSA-N 437.975 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@](C)(O)c1ccccc1 1749149019 OFNYFYBUNQHAFC-HSZRJFAPSA-N 425.964 4.694 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ncc(Cl)n1C 1749181568 MARCLHXYNOHYCO-UHFFFAOYSA-N 425.751 4.851 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1749280221 FIRAVMCVOUNELR-HXUWFJFHSA-N 446.910 4.527 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](COCC)C1 1749416231 WYCHQPOVDOHTPY-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749438642 ZFIGCTMBHQPAJE-QHCPKHFHSA-N 437.632 4.752 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1749445447 ONWLWUINQXHAPB-IRXDYDNUSA-N 448.409 4.645 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cscc1C 1749471382 LZUWNYPTCRYALM-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1Cc1cccc(C(F)(F)F)n1 1749552972 MHPBUQSLWCJFOE-UHFFFAOYSA-N 433.503 4.947 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC1(c2ccc(F)cc2)CCOCC1 1749572852 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444.362 4.647 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2261825862 IPCOOSVLAICKHI-VWLOTQADSA-N 447.572 4.799 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2267180538 FYYPFTOYABUCTP-MRXNPFEDSA-N 444.381 4.515 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC4(CCN(Cc5ccccc5)CC4)CC3)CC2)OC1(C)C 2267501177 UEMCSOINRGHQCW-UHFFFAOYSA-N 438.421 4.518 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268639128 MTTRXIOGGMQZEP-KRWDZBQOSA-N 446.328 4.623 30 10 IJEE CC1(C)OB(c2ccc3nccc(N(Cc4ccccc4)C[C@@H]4CCCO4)c3c2)OC1(C)C 2285399083 YJZRFJCXTMPUMN-QFIPXVFZSA-N 444.384 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(Cc3ccc(Br)cc3C#N)[C@H]2C1 2290211408 YJTZAHZSCDALAL-BEFAXECRSA-N 434.378 4.542 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@@H](O)C#Cc1cccc(Br)c1 2296217270 SJBGROONKOEOMK-SFHVURJKSA-N 432.314 4.890 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296218856 IYRSHJVNISDZFY-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](O)C#Cc1ccc(Br)cc1)c1ccccc1 2296266758 LVMKAFJZKSXJOW-WOJBJXKFSA-N 430.342 4.818 30 10 IJEE CC1(C)OB([C@H]2CCN(Cc3c(Br)cccc3Br)C2)OC1(C)C 2303158713 NNVBHKBQAQRWRN-LBPRGKRZSA-N 445.004 4.880 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2307506705 WBRJMFLIOLNVSE-LUCIHVKJSA-N 437.625 4.519 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322122762 PIWFRFUKTNDLPX-UHFFFAOYSA-N 449.595 4.643 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1OC 2322193394 GWMRQMKVKMUDIU-UHFFFAOYSA-N 449.528 4.776 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)c1 2322691857 MCQFDFVPAMMAHJ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)COc3ccc(C)cc3)c2C)C1=O 2323197297 ZMCSQPKKYGWVDN-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2325427017 AURLMGJYEWYVMZ-INIZCTEOSA-N 431.444 4.813 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccco1)C2=O 2325708895 VUXXUKDHJGLJEY-UHFFFAOYSA-N 439.851 4.884 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc(F)cc3)c2C)C1=O 2325728213 QWRDZXRQOBPVQH-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(Cl)cc1 2326272139 BIKCHVITHXGGDT-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(F)cc1F 2326272327 SCRFFKFSPUIJHM-UHFFFAOYSA-N 446.523 4.961 30 10 IJEE Cc1ccc(C=CC(=O)Nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1 2327901627 CBQCFCKVRSVJJS-UHFFFAOYSA-N 440.459 4.608 30 10 IJEE Cc1ccc(O)c(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)c1 2330284606 WYSFLAGIYIXHBU-UHFFFAOYSA-N 444.601 4.588 30 10 IJEE O=C(O)c1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 2330390651 QCODXDPHKILMOS-UHFFFAOYSA-N 434.546 4.803 30 10 IJEE CCCCCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCCO)cc1 2330508810 ZHTGWQGOEYRPJK-UHFFFAOYSA-N 438.597 4.795 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1 2330776891 IEEPPLVNSOQZLM-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE Cn1cc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)c2ccccc21 2330935295 UOHGTYSFHLKBMG-OAQYLSRUSA-N 435.528 4.935 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc(Cl)c2)cc1 2330938853 JDLUQCPDPQRCGZ-SFHVURJKSA-N 443.916 4.866 30 10 IJEE COCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Br)cc1 2331577548 DSXSWYYMORWAFH-UHFFFAOYSA-N 445.386 4.978 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Br)ccc2OC)C1 2339207505 PTEZXBAHSOEZMZ-KRWDZBQOSA-N 425.367 4.722 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339588064 CNFJAVCMPONHPQ-LJQANCHMSA-N 444.381 4.895 30 10 IJEE CCC1(NC(=O)OC(C)(C)C)CC(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339606866 WVFCAUSHBQHNGA-OUKQBFOZSA-N 443.397 4.974 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369680527 USOCDBXQYDQBGR-OOSCYNTBSA-N 446.444 4.579 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(O)cc1)c1ccccc1 626333 RPJANIUFTFCVPP-DEOSSOPVSA-N 438.483 4.695 30 10 IJEE C=CCn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1ccc(C(C)(C)C)cc1 15276420 YPTBMVLMYZMEST-UHFFFAOYSA-N 432.549 4.774 30 10 IJEE CCCCCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCOC)c1 35443218 UHKUVUWWNNOOAB-IHXXNJTDSA-N 449.547 4.880 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(CC)cc2)cc1 39827518 NJZSXDQTLUZCHQ-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE CN/C(=N\c1cccc(Cl)c1)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 59446412 FGBFFCAEZXVIMV-HNNXBMFYSA-N 442.755 4.919 30 10 IJEE COC(=O)c1sc(N/N=C\c2ccc(OC)c(OCc3ccc(C)cc3)c2)nc1C 169943466 WPSPFCJZFQDPGP-FMCGGJTJSA-N 425.510 4.580 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccn1 169994603 ZMYXOOUZRXFPLP-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccnc2)c1 170012115 QOYSXQULKWNLAZ-QHCPKHFHSA-N 430.479 4.659 30 10 IJEE COc1ccc(C2=C(SCc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170034516 BWZCRXWOYKWZGN-UHFFFAOYSA-N 426.497 4.785 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2)cc1 170054638 GIYNMRAQTOZBGI-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1 170080922 DCPWGNKODUNULS-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccc(O)c2)c1 170083488 DIMNLYMQKQIICG-QFIPXVFZSA-N 439.471 4.668 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)cc1C 170144470 UTHNWVUCPQZDFB-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccnc1 170197275 NFABORBOTDLHML-IBGZPJMESA-N 426.900 4.573 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(Cl)cc1 170235013 CUWYCANDNPQUOJ-LJQANCHMSA-N 446.286 4.964 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)c1 170259107 BBLOUCASFHIPMA-HSZRJFAPSA-N 429.472 4.962 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)c1 170260556 JCZGWJAYSMFYHX-HSZRJFAPSA-N 447.487 4.799 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccccc1C 170273106 LZRILOTZVOAVDD-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccco1 170294814 JPSNIEOOUBRXII-LJQANCHMSA-N 433.888 4.719 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1sccc1C 170319337 WWGYPWQVJDVYMO-HXUWFJFHSA-N 440.565 4.654 30 10 IJEE CC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccco3)cc2)CC1 170400303 PFDTUDNKVFNTAY-QFIPXVFZSA-N 432.476 4.892 30 10 IJEE COc1ccc(F)c(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 446664794 BCTCLHZPQGHBQG-UHFFFAOYSA-N 435.480 4.689 30 10 IJEE CC(C)[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)C(F)(F)F 470780489 SSAAUQWJLJIITN-IBGZPJMESA-N 435.471 4.606 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 503355676 PEAWJVYMWPRTSN-UHFFFAOYSA-N 447.829 4.595 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)c(OC)c2)cc1 526516165 NYHBAGGKGLECPN-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccc2C(=O)O)cc1 526517678 VTSDAHUAUMNIKC-QHCPKHFHSA-N 440.455 4.712 30 10 IJEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2ccccc2F)cccc1OC 526802984 PWVWHNHMYDHFIW-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(C)c2)cc1[N+](=O)[O-] 526807675 BXVIFXRRFBWTDW-XKZIYDEJSA-N 425.514 4.630 30 10 IJEE Cc1nn(-c2ccc(C(=O)N(C)c3ccc(C#N)cc3F)cc2)c(C)c1Br 609217448 GCUOHPPYGHVHPS-UHFFFAOYSA-N 427.277 4.539 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2)cc1 619820786 KPHOEGNRFFLCOH-FQRUVTKNSA-N 445.567 4.995 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 701304914 QIPQKAIMSIUEML-CABCVRRESA-N 433.337 4.717 30 10 IJEE CC(C)Oc1ccc([C@H](O)CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740057471 HONQAOAZWTXHMQ-JOCHJYFZSA-N 435.549 4.607 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cc(C)cc(C)c1 742215454 XSGQSCOPSFWDHI-QFIPXVFZSA-N 444.560 4.549 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)c1nc(C(=O)OCC)cs1 744363521 WKDJVVTUAAMNAZ-UHFFFAOYSA-N 445.541 4.808 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1=S 764913929 GPZHXWHDHMICRX-PGRDOPGGSA-N 436.581 4.695 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 790884841 SGIBDUXICUZLPB-DCLXLUIPSA-N 432.536 4.508 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 791548700 DWFIEOGWCZLWSR-JOCHJYFZSA-N 437.515 4.520 30 10 IJEE C[C@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nccc5ccccc45)nc(O)c23)C1 792104946 SJYYPAYWZISUKE-KBXCAEBGSA-N 442.544 4.879 30 10 IJEE C#C[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(Cl)cc1 811948698 GYCGMOSZQUFZOX-QHCPKHFHSA-N 437.948 4.727 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 812187643 BDQGYOMNUUSQJS-FQEVSTJZSA-N 447.608 4.754 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)c1 1125714147 UPGMSCAARCXDBL-UHFFFAOYSA-N 426.394 4.538 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccccc1 1127300512 FJYLPQFMQQSRSP-XXBNENTESA-N 426.582 4.687 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccccc1 1134655234 ZQZSHTBELJHSHU-SLGOVJDISA-N 431.513 4.994 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 1139865329 DSKCYWQJQOUEPB-OAQYLSRUSA-N 431.374 4.536 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2cc(O)ccc2nc1C 1143300389 MROKVEOCCRXZCE-UHFFFAOYSA-N 429.289 4.979 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Cl)c(Br)cc1OC)C(C)C 1144204616 RWIWKLRJZWQNDM-KRWDZBQOSA-N 429.786 4.540 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](c4ccc(C)cc4)C3(C)C)ccc2c1=O 1153712834 LMAFYMADONSELU-FQEVSTJZSA-N 433.577 4.588 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)c1C#N 1153845372 BBTQHBDOXHYNKY-UHFFFAOYSA-N 446.345 4.653 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(C)(C)C 1155648253 BPNCSTQUAUUBOF-HNNXBMFYSA-N 429.439 4.725 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)CCCC1 1214339796 AAMCFSMPXVODQH-UHFFFAOYSA-N 449.617 4.518 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 1215482045 BSPVOQPXFALYEN-UHFFFAOYSA-N 426.467 4.512 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cc1 1235103390 RHGMZQGNXAMAGV-QGZVFWFLSA-N 425.248 4.923 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCN1CCCC 1286304893 JNRJUNKUAVUEAC-FCHUYYIVSA-N 439.673 4.991 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286357156 GHLFPESWCAJBQI-UHFFFAOYSA-N 434.613 4.842 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](CC(C)C)N(C)C 1286421134 NIQKBFIQLOWTEE-DEOSSOPVSA-N 433.644 4.682 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCc1cc(C(F)(F)F)ccn1 1286442021 ZKAKOUWDUZXDRC-UHFFFAOYSA-N 433.865 4.715 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1CC1 1286495742 DDNVNPNSJVDJKS-QGZVFWFLSA-N 433.021 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H](SC)C(C)(C)C 1286528101 XHIQWCSHUMBERZ-WMZHIEFXSA-N 430.593 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](C)C1 1286551276 LMUCNQWDWPHFLY-PWHSHALESA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 1286568061 UVYYUSYYJZGUBW-WIOPSUGQSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1cn2ccccc2n1 1286568304 SNLDTKBVQFUNLG-IBGZPJMESA-N 448.546 4.850 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C(C)C)C1 1286593458 NISHSLABHMJUPF-LJQANCHMSA-N 449.665 4.547 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1ccccc1F 1286598923 HEMJDIRIMVRMAM-FQEVSTJZSA-N 443.567 4.744 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1286599470 VOXBRCJIDOKIDX-INIZCTEOSA-N 441.567 4.623 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC(F)(F)F 1286599489 AFFSLCYTEMXOSJ-UHFFFAOYSA-N 447.505 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1286674330 CNUQUKVCLNBGAZ-UHFFFAOYSA-N 436.604 4.755 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccsc1Br 1286679931 DWGACWONVHIYNV-INIZCTEOSA-N 439.423 4.837 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CCc1nc(C)c(C)s1 1286728765 HEYILLQBTFFQBX-UHFFFAOYSA-N 429.615 4.517 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1Cc1ccsc1)C1CC1 1286740011 WMHADRMNLBKCTH-UHFFFAOYSA-N 445.386 4.884 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1ccc(F)cc1 1286747549 JYQZKFAEJSUUMP-KRWDZBQOSA-N 436.560 4.876 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)C1CCN(C)CC1 1289195284 HYLYFAFBAGRBRQ-UHFFFAOYSA-N 441.531 4.836 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OCC2CC2)nc1 1293904325 FXUHKIWOQVETKG-SFHVURJKSA-N 430.556 4.674 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(CC)CCCC1 1295746616 ARIFKHMZSUDOQB-JOCHJYFZSA-N 437.588 4.704 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 1296528516 AAXKIYTUXVRVAQ-LRDDRELGSA-N 434.886 4.961 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)CC)CC3)c1 1297640183 FLYBCKUBTUKGMB-QGZVFWFLSA-N 444.622 4.734 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)CN(C(=O)OC(C)(C)C)C1 1298545139 MDFHEKIRUBFIIY-LBPRGKRZSA-N 447.885 4.744 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccc(C)o1 1300421521 JBGQYOSHDGDJMR-UHFFFAOYSA-N 443.345 4.571 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCCC(C)C 1300560598 GDXFXYPUDARLJO-UHFFFAOYSA-N 431.353 4.746 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCC(C)C 1300563846 OOXJMFVLGOZTCV-UHFFFAOYSA-N 433.781 4.870 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Oc2ccccc2)C1 1300885882 SUSAMQPXGHPDHT-SSPYTLHUSA-N 438.616 4.896 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC)(CC)C1 1300890430 GSWXHSNCWDATES-XUZZJYLKSA-N 449.599 4.726 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2ccco2)C1 1300972821 QHXAQVOEZHOODZ-GMAHTHKFSA-N 436.556 4.584 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1301009660 CDMFJKILBAZSLP-UHFFFAOYSA-N 432.597 4.859 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)c2ncc(C)s2)CC1 1301086319 HRCAPCPKOHTSKD-OAHLLOKOSA-N 429.540 4.872 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(C#N)o2)CC1 1301112198 NHYYANZZBSFAAW-UHFFFAOYSA-N 444.358 4.684 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@@H]2CCSC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301158720 NQRAUXMEUNDERP-FGTMMUONSA-N 449.665 4.593 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(F)(F)F 1301416936 KQUMMZAHLWXXPC-UHFFFAOYSA-N 433.478 4.554 30 10 IJEE C#CCOc1ccc(NC(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2O)cc1 1306560470 KNJIUAPNXMBKMH-UHFFFAOYSA-N 436.682 4.802 30 10 IJEE N#Cc1cc(Br)cnc1N(Cc1cc(Br)ccc1F)C1CC1 1306945361 BCHFZXGYDASINW-UHFFFAOYSA-N 425.099 4.786 30 10 IJEE C=CC[C@H](Sc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1CC=C)C(=O)OC 1307253067 VFOMPJFBGHMQMD-INIZCTEOSA-N 444.553 4.968 30 10 IJEE Cc1ccc(-n2c(SCC(=O)Nc3cccc(C#N)c3)nnc2-c2ccc(F)cc2)cc1 1307321619 HVPNPWGMRKRBCK-UHFFFAOYSA-N 443.507 4.984 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(Cn2nnc(-c3ccccc3)c2C#N)cs1 1307406008 XAWDNMBIQZDQLH-UHFFFAOYSA-N 434.912 4.660 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc1C#N 1310458460 GXJDSDQRTFNXGR-UHFFFAOYSA-N 446.429 4.999 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1ccc(OC)nc1)c1ccc2c(c1)OCO2 1348807385 SHDXLXQGHBFEFB-UHFFFAOYSA-N 446.503 4.550 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)CCCN1C(=O)OC(C)(C)C 1355562944 HBVKCHSTENMOTF-KBMIEXCESA-N 444.572 4.919 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(Cl)ccc2F)c(C(=O)OCC)c1C 1357817170 LUHHYSFJRQBQJD-UHFFFAOYSA-N 425.865 4.621 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccc(C)cc1 1358877394 DAYYLZVCRPTNFH-RBUKOAKNSA-N 434.609 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1358899743 UFOQXSVJNJNBMX-NNPSNHGLSA-N 426.527 4.948 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359146733 IHRUPADBUKBXSA-FPOVZHCZSA-N 444.023 4.795 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@H](F)C2)CC1 1359165469 PNAXXDAYRXPFFY-ZCNNSNEGSA-N 447.599 4.687 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1359174078 WBROZKSBJKQTPZ-ZJSXRUAMSA-N 437.632 4.576 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCC(C)(C)COC)CC1 1359175932 GEOAGQQHNSPSEO-UHFFFAOYSA-N 426.561 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1359186904 WTPOTNJNGDDZHI-JTHBVZDNSA-N 446.599 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1359190054 CNNUJCGSQZTGHY-XMMPIXPASA-N 440.588 4.770 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(C)C)C1 1359209814 ACKSWUYNYFNHKD-SFHVURJKSA-N 428.577 4.810 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)S[C@H](C)C1 1359284929 VKYYOMHLOKAXHV-TXEJJXNPSA-N 427.799 4.877 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N(C)C1CCC2(CC1)OCCO2 1359339948 VYEXSWWVTZFHKM-UHFFFAOYSA-N 449.020 4.640 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(I)cc1 1436690012 UUEHQXUGQMDBOB-LJQANCHMSA-N 449.332 4.754 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)CC)ccc1Cl 1437491786 ILBFGFPHXKEMSM-KRWDZBQOSA-N 434.989 4.887 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 1454494874 YMSBRDNSIVDREP-QZTJIDSGSA-N 445.387 4.783 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1C#N 1460242086 AFZONIUFTKFCGJ-UHFFFAOYSA-N 436.462 4.940 30 10 IJEE C#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C1CCOCC1 1461717714 VRJFYXOBFIALBK-GOSISDBHSA-N 430.913 4.558 30 10 IJEE COc1ccc(CN(CCCO)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 1465212196 HQCXSBWLQLCOSM-VWLOTQADSA-N 429.520 4.767 30 10 IJEE C[C@@](O)(CNC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(F)c1 1466235758 HBFCACFDJNDGLL-NVXWUHKLSA-N 438.343 4.655 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCCN(c2ccccc2)C1 1466817320 YORHNNSGFBVCCV-KRWDZBQOSA-N 430.346 4.804 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC(C)=C(C)C2)ccc1Cl 1467604438 ZGRQISLIQKRRGM-UHFFFAOYSA-N 444.984 4.904 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)NCC(=O)c3c(Cl)cccc3Cl)o2)cc1 1469512244 DDISGBKQPOQPIW-UHFFFAOYSA-N 429.259 4.650 30 10 IJEE C#CCN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CCOc2ccc(Br)cc21 1472696127 DPENQQDZXXLVRQ-HNNXBMFYSA-N 436.231 4.698 30 10 IJEE C=CCn1c(SC[C@H]2COCCO2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1472916572 UKZCXQPCLAXABE-IAGOWNOFSA-N 433.643 4.851 30 10 IJEE COc1ccc(CN(C(=O)COc2ccc(C#N)c(C)c2)[C@H](C)Cc2cccs2)cc1 1473024927 HGNSSBLWIMGKLH-LJQANCHMSA-N 434.561 4.976 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)CCCC1(C)C 1476408608 DOTRBCCYGGPSOZ-HNNXBMFYSA-N 427.314 4.973 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1477912188 FBJPGGSFVYSXNG-GOSISDBHSA-N 439.556 4.837 30 10 IJEE C#C[C@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1 1477942377 YXPWPGULJVQKEI-DEOSSOPVSA-N 442.469 4.991 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1)c1ccc(Br)cc1 1478023479 KKGMJJJVJXAUFD-BAGYTPMASA-N 441.369 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC(F)(F)C1 1507523391 NUWILASJQMCHNT-GJZGRUSLSA-N 437.332 4.909 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1507549094 YAPOKRGHHSHOML-PXNSSMCTSA-N 446.064 4.802 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@H]1CCc2ccccc21 1507606878 AMJCEAWAKRAPQM-MRXNPFEDSA-N 441.398 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccco1 1507770633 PPVNGDCYSPDFCO-XMMPIXPASA-N 438.959 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@@H](c1ccco1)N(CC)CC 1507771288 YLDUOGHOHHINLW-WNCULLNHSA-N 445.611 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](OCCC)CC1 1507804117 DYEMLTURYIAMGZ-ZDXQCDESSA-N 430.637 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](OC)C(C)C 1507816515 OCVYZNVVEQMYPG-GOSISDBHSA-N 439.373 4.920 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2cccc(C)n2)CC1 1507909209 WDSZTFOJLXFJFR-UHFFFAOYSA-N 431.584 4.822 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1507959476 DBXZTXWWIWJOOX-IBGZPJMESA-N 439.629 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1Cc1ncnn1C(C)(C)C 1508008431 FEDMCLRDVIGVJC-UHFFFAOYSA-N 433.585 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCCC1(C)C 1508011978 QPQMTKYXPLWYRV-HSZRJFAPSA-N 430.980 4.727 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(F)(F)F)c1 1508021561 WYDHHLBIISPCKC-UHFFFAOYSA-N 433.503 4.879 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)C1 1509033716 DTINDFUJLBAJCA-HXUWFJFHSA-N 448.537 4.573 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](SC)C(C)(C)C 1513679395 BNLSRSUJMDEMOF-YLJYHZDGSA-N 429.634 4.936 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)C1(C)C 1516375301 CNHMDLTWACTUKL-ZWKOTPCHSA-N 435.494 4.799 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 1519865331 UNGCQHDXBNMQSA-UHFFFAOYSA-N 429.426 4.957 30 10 IJEE N#C[C@H]1CSCCN1C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1520380900 BQQDARFQMBTCPH-HNNXBMFYSA-N 449.388 4.989 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 1520908149 FSTMMDUMOVOKHX-HSZRJFAPSA-N 432.564 4.907 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)c(OC)c1 1530343940 GYJRHVUZXHXWKT-UHFFFAOYSA-N 437.536 4.893 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccc(C)cn3)cc2)ccc1OC 1537916096 CKMZMFQSLBXJAV-HXUWFJFHSA-N 431.492 4.802 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc3c(c2)nc(CC)n3C2CC2)cc1OC 1538377613 FXGVGWYENBOQHQ-MDWZMJQESA-N 431.536 4.837 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1C1CCCCC1 1539376961 CULIJYACYQROHR-XMMPIXPASA-N 449.643 4.731 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1539377758 VENOFDGWBQXZRY-UHFFFAOYSA-N 431.584 4.534 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1539498540 UUPSOJYJXOXYSQ-ZCNNSNEGSA-N 442.629 4.666 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 1539684122 HSXDXZDITGDFRD-UHFFFAOYSA-N 440.341 4.746 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1539835605 FCRQTWMUYLNSMK-MRXNPFEDSA-N 448.514 4.563 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1539916900 PQTYPRUQGDJRAH-UHFFFAOYSA-N 430.666 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1CC1=CCCOC1 1540146511 CUIOLQOSQNJHIU-UHFFFAOYSA-N 440.544 4.597 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1541111619 ACDZHJXRRUJVNT-GOSISDBHSA-N 434.588 4.709 30 10 IJEE Cc1cccc(CCCn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)n1 1542646899 FGKFHEJWLWYDDU-UHFFFAOYSA-N 428.584 4.530 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl 1545595448 HLBNBTZPMCXSLL-LHSJRXKWSA-N 446.334 4.596 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(COC)c(C(F)(F)F)c1 1557392626 NKRRJMGQMANPNF-OAHLLOKOSA-N 436.858 4.826 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(-c2ccccc2OC)c1C 1558797291 PUASQOQBNCINTR-QGZVFWFLSA-N 428.533 4.582 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1562086696 XSWUTECRWILTMR-LJQANCHMSA-N 433.618 4.707 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccc(F)cc1 1562475151 WZODHEALDAZBJI-QHCPKHFHSA-N 425.467 4.629 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1563831916 ZWQDYDWFKKTDKU-QHCPKHFHSA-N 439.600 4.962 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 1564612531 SZWOOWXDGGLFDG-KYNGSXCRSA-N 425.342 4.710 30 10 IJEE C=C[C@H](C)ONC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1565008951 HLWWIAXTSPFCIL-UGSOOPFHSA-N 440.396 4.960 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)c1 1586361108 FOHFCHRNNAEEFQ-XMMPIXPASA-N 434.442 4.629 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](CC)N1CCCC1 1587586120 JYZAURCPZKTJPR-AZUAARDMSA-N 425.646 4.608 30 10 IJEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1ccsc1)N(CC)CC 1587931763 CWZLEINVMAKHQL-HXUWFJFHSA-N 433.581 4.905 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CCc1nc(C(C)(C)C)cs1 1588550429 QWBDVSAXRJYBNI-UHFFFAOYSA-N 425.577 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(CC)s1 1589251692 RBMURWOOUVHOIC-XMMPIXPASA-N 436.581 4.530 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1C 1589556346 BRMLGQAWBKQGSF-NFBKMPQASA-N 437.613 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C#N)o1 1589615933 WIHOXQIFVDZBJA-UHFFFAOYSA-N 432.347 4.684 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1589652435 VHPXVKPSGDIJCJ-CABCVRRESA-N 439.482 4.702 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](OC)C2CC2)CC1 1594218723 QENSUAYBWKKDSL-HSZRJFAPSA-N 440.588 4.568 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CC[C@]2(C1)OCc1ccccc12)C(C)C 1595166405 STRJJWPDFMDCPE-SHQCIBLASA-N 449.643 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN(C)C2CCCCC2)C1 1595681010 ODTKHIGGFKGNCM-JOCHJYFZSA-N 444.023 4.644 30 10 IJEE C=CC1(CC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1596937862 MGMXIHRDSYIOFY-UHFFFAOYSA-N 427.467 4.523 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CC1CC1 1597203819 FBURDWACBOCVEJ-DHIUTWEWSA-N 446.599 4.788 30 10 IJEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCC(F)(F)CC2)cc1OC 1616330501 AJCWRLYPGBSFKS-INIZCTEOSA-N 447.530 4.774 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC 1616553284 QHPSDMMELQOUND-BBRMVZONSA-N 447.359 4.728 30 10 IJEE C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 1624563548 BMZQJDICUXMXQM-FYYLOGMGSA-N 436.527 4.578 30 10 IJEE C=C(C)[C@H](NC(=O)NCCOc1cccc(Br)c1)c1ccc(F)c(F)c1 1629961558 DDQFYODBNUAGGM-SFHVURJKSA-N 425.273 4.723 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)C1 1632527154 ACXMWXZIQDUCHQ-IRLDBZIGSA-N 433.552 4.506 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(Br)c(C)cc3C)n[nH]2)c1C 1634484023 OQKHHZOMMOAMEF-UHFFFAOYSA-N 428.334 4.708 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc[nH]1 1634530974 HYIYRZHRWZGYMX-QHCPKHFHSA-N 449.938 4.681 30 10 IJEE C#CCN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCCc2ccccc21 1639322481 OOHYPWIDVFPZTP-DENIHFKCSA-N 441.358 4.886 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCc3c2ccc2c3ncn2C)s1 1640718474 FJGRJDQYQXZVGT-UHFFFAOYSA-N 433.002 4.705 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCCCCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1643337923 HPTXFFIIUNPWCD-LSDHHAIUSA-N 433.643 4.556 30 10 IJEE N#Cc1ccc([C@@H](O)CN2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 1644504196 GJCYLEVCDCJXIR-IZZNHLLZSA-N 431.967 4.652 30 10 IJEE Cc1sc(Br)c(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1C 1644721521 XXOMARKVCAJMLD-UHFFFAOYSA-N 428.201 4.826 30 10 IJEE C#Cc1cccc(NCc2cc(I)c(Br)cc2F)c1 1650843931 BGNZBLPAPVOIJM-UHFFFAOYSA-N 430.058 4.786 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 1652406478 VWSLRJKUQMMVEB-LJQANCHMSA-N 433.577 4.684 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(C)Cc2cccc(OC(F)(F)F)c2)ccc1Cl 1652889601 CLERJASPEPUIEU-UHFFFAOYSA-N 439.865 4.926 30 10 IJEE CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2s1 1654832713 BPLSWAXNSHKGAS-UHFFFAOYSA-N 437.590 4.943 30 10 IJEE CCCCc1ccc(C(=O)Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)cc1 1656747351 AGXNFGHUYKDHBD-UHFFFAOYSA-N 439.559 4.504 30 10 IJEE C=CCN(Cc1ccc(SC(=O)N(C)C)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1658259511 HXEQMZUCJOJPSC-JOCHJYFZSA-N 426.582 4.623 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnn(-c2ccccc2Br)c1 1660009587 ZNAYMIUNAJJZJL-UHFFFAOYSA-N 441.329 4.864 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c2ccccc2OC)cc1 1662439076 CMLWZCMRHCHALB-RUZDIDTESA-N 444.535 4.861 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1667452797 DRVSEFMNZZMINC-RDJZCZTQSA-N 428.863 4.819 30 10 IJEE CCOC(=O)C1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCCC1 1668146384 GJEBJENJGWJQPT-UHFFFAOYSA-N 439.487 4.521 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1ccc(F)cc1 1670020209 LDSYETUOUPUIBH-AWEZNQCLSA-N 431.183 4.983 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1672860990 MXUXEOVOMWZAGJ-AZUAARDMSA-N 449.617 4.516 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cnc(Br)cn1)c1ccc(C(F)(F)F)cc1 1679304331 IPECRHWPPWANJH-OAHLLOKOSA-N 443.267 4.765 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1)c1ccncc1 1679332496 BJEBCNYPTGHMMZ-JOCHJYFZSA-N 432.524 4.556 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 1681031512 HRTOTERGJLKCCQ-IBGZPJMESA-N 429.358 4.788 30 10 IJEE C=CCCCCCN(C)C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1681158486 OUIGNOSGAVASJF-IBGZPJMESA-N 436.394 4.641 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1)c1ccc(Cl)cc1 1683675629 DGBNOFWFHIJCJV-JOCHJYFZSA-N 432.955 4.994 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(Br)cc1 1683681822 WRCKWAMBQDWWME-XHDPSFHLSA-N 426.236 4.598 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C1CCCCC1 1687323224 SLOYJMDAGHQGQV-LJQANCHMSA-N 425.573 4.893 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@H]1CCCCO1 1689833854 RJQKYFKPSKWSND-NVXWUHKLSA-N 449.368 4.654 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1689878557 MZJHNEQGPHFSJC-HXUWFJFHSA-N 449.624 4.702 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCC[C@H](O)C1 1690061416 XJQHRLNYRQBKBM-HOTGVXAUSA-N 428.989 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690257717 RPHCOTALRUFFBI-NHCUHLMSSA-N 447.631 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1690266583 BQGXNLCJWXKRHE-JOCHJYFZSA-N 427.612 4.778 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCC2CCOCC2)CC1 1690364889 ZMSVNCFMWVHYDD-FQEVSTJZSA-N 440.588 4.790 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCCSC)CC1 1690366318 WXIQXHWLKJCFIG-UHFFFAOYSA-N 438.439 4.736 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1690372289 IGBZNTUKAAUNAI-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690382570 UFKIOMQVRISRKY-IFMALSPDSA-N 438.616 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCOC)CC1 1690404558 JADKNQWLVRBARK-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C[C@@H]2CN(CC)c3ccccc3O2)nnc1C(C)(C)C 1690440110 YLGDHLAHNVSOCC-LJQANCHMSA-N 425.621 4.902 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1690490303 WBTCBBBCDUIYQZ-OAQYLSRUSA-N 435.547 4.611 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)nc1 1690586691 SGSXNEXRRQJLRG-KRWDZBQOSA-N 435.597 4.762 30 10 IJEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCCC1 1694477220 GIPIITLXJCRNKE-GOSISDBHSA-N 433.478 4.555 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1705490194 DRXHBYOEFRESAD-LMDPOFIKSA-N 446.599 4.691 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705519823 YGYLIJJAEDNWDK-OAQYLSRUSA-N 433.600 4.938 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H](C)c1nccs1 1705524773 RZJZOTLFMWWQHA-IRXDYDNUSA-N 427.549 4.667 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1705528666 NUUKICWVZVRXBU-XMMPIXPASA-N 449.643 4.848 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H](c1cccs1)N(C)C 1705619341 NSYMAUSECYFFPP-GHTZIAJQSA-N 439.604 4.935 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1 1705731664 ZXNMAIISZJRIST-DLBZAZTESA-N 437.009 4.606 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(F)c(F)c2)CC1 1705777458 BBMUIBGDKMUMPM-UHFFFAOYSA-N 429.902 4.917 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CC2CCN(Cc3cccs3)CC2)CC1 1705781239 UCMWZJQWDBUFRJ-UHFFFAOYSA-N 427.662 4.952 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCO[C@@H](C)c2ccccc2)CC1 1705783966 BNEMBWOFHUPXMN-QFIPXVFZSA-N 448.615 4.710 30 10 IJEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705824416 PMRMHSCRUOYFON-HKUYNNGSSA-N 438.494 4.624 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CCC[C@H]1C 1705836724 DQPDIQZETSLQSK-BFUOFWGJSA-N 439.785 4.534 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCc1cccc(C)n1)C1CC1 1705850180 KEMLRLQIGCHOGK-UHFFFAOYSA-N 444.402 4.870 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCOc1ncccc1Cl 1705859308 OMNKLOXURDJQHH-UHFFFAOYSA-N 446.942 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1c(C)noc1C 1705866855 BMYBFZVTRGEQOC-HNAYVOBHSA-N 427.574 4.792 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@H](C)C1 1705877378 FGOAXSQGUJMALZ-WCIQWLHISA-N 429.609 4.663 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705880952 VXYPRFGTHVLAEF-IFMALSPDSA-N 448.615 4.597 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CC2)C1(C)C 1710597857 GEXWETSJUJLQJC-RTWAWAEBSA-N 437.588 4.559 30 10 IJEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2sccc2Br)c1 1711897846 HXEMRQYWQUKJBH-CYBMUJFWSA-N 446.374 4.564 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(F)cn1 1722281796 ZJDHCCYZAWZQQF-DLBZAZTESA-N 441.938 4.729 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Cc2ccc(F)cc2)CC1 1722303702 QXFLLRIYGZJWGJ-STZQEDGTSA-N 438.591 4.817 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC1CCCC1 1722343981 LHPNOFIUPNMYNU-UHFFFAOYSA-N 431.584 4.771 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1cccs1 1722422301 QQKVVKLSSRRXEO-LJQANCHMSA-N 438.572 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(C)(C)O 1722466980 JNDYICVEDWGZML-MHECFPHRSA-N 445.007 4.841 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1722505343 JYUVTVPZUWKPCK-UNMCSNQZSA-N 439.560 4.850 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722663720 GLRUKWXXILKAQJ-KRWDZBQOSA-N 433.622 4.598 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC1(C)C 1722672071 JITGIHKHTJFWIT-LJQANCHMSA-N 429.609 4.617 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)C[C@@H]2CC=CCC2)cc1 1722704780 OPKJGMSAMWGKNF-OAQYLSRUSA-N 429.568 4.670 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)C1 1723351857 GBWAOHCKBCMXON-UPVQGACJSA-N 434.632 4.810 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)(C)C)CC1 1728233390 FQVIKPKWFCAJCH-YADHBBJMSA-N 439.604 4.663 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCC[C@H]1C 1740540423 ZKLCFQOZWFLJHB-HZPDHXFCSA-N 428.005 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(OC)CCCCC1 1740541746 GYDXOEKQMFYAOQ-IBGZPJMESA-N 440.588 4.548 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)c1ccccn1 1740557198 LZBJCXNRMQRHOO-FQEVSTJZSA-N 445.611 4.985 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1740580530 ARXTYPPFPYQTSG-AZUAARDMSA-N 445.007 4.963 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@@](C)(CC)O1 1740664533 UFRUFPRMBMXGSN-RGZWJVDOSA-N 426.630 4.939 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)CCC 1740757783 XJUNHZXIKRZMCW-RFWXGWTQSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCNc1ncc(Cl)cc1Cl 1740770693 CBRYLOKHEMCPKC-UHFFFAOYSA-N 432.359 4.556 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740779754 YMQOVHZHMHYMBZ-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@H]1C 1740855254 FLJOWPSMRMYCQT-TZIWHRDSSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740881783 QFBFTPXZUGDINM-QGZVFWFLSA-N 426.508 4.613 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1741003833 GOIWFLRQYQVSTJ-GHTZIAJQSA-N 440.638 4.816 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CCS1 1741400857 BCLLFFCYDHTGIP-ICSRJNTNSA-N 427.643 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1csc([C@H](C)OC)n1 1748687686 PDTZWFUYBQFLOB-IRXDYDNUSA-N 441.626 4.549 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(C)cccc2C1 1748764380 MNPFRNCWFAKFRI-QFIPXVFZSA-N 449.599 4.635 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1749049281 HQVNGCWNFIADOY-UWHLTILDSA-N 430.662 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC(C)(C)c1ccccn1 1749078302 HTDGPOMZGWGFIW-HHHXNRCGSA-N 443.595 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1749126605 FDCZIAYTCWAIPH-APTRMMRNSA-N 438.616 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1749130081 JMABZUJDGKSNOB-DHLKQENFSA-N 437.632 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(CC)CCOCC1 1749147643 MCZBDKQUGJYQMH-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCS1 1749155181 AMVMUNHVDRVLMK-IBGZPJMESA-N 449.665 4.691 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1749216564 QHWAIYSNEMOCID-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(F)F)C1 1749218274 KATABHJZMXUXNW-HNNXBMFYSA-N 440.922 4.681 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H](C)N2CCCCC2)CC1 1749312443 KMMRZUXIIQLTOH-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2CCC(OC)CC2)CC1 1749347062 HFTJRNRAVKTLMH-UHFFFAOYSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1749354295 MTZPTFYFRUNLJR-ROUUACIJSA-N 444.551 4.549 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1O 1749439904 MJUQGODCMAIHKR-IBGZPJMESA-N 441.576 4.658 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CSCCS1 1749499450 HPWDROKXGQJEPJ-SFHVURJKSA-N 432.659 4.760 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCN1CCCC[C@H]1CC 1749532725 WZDMZHQZCSEVSI-XMMPIXPASA-N 432.616 4.874 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1OC 1749584742 PYPOEKZVXVRMOQ-LADGPHEKSA-N 431.584 4.699 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1760118890 PANCLAIQDHOMGV-YTQUADARSA-N 434.506 4.823 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN(C)CCC)C1 1760131815 AWWLXZDRWCAOAN-SFHVURJKSA-N 431.987 4.709 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2ccco2)C1 1760144978 FYWIHPKNHGFWFS-UTKZUKDTSA-N 440.931 4.656 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CCOCC)CCCC1 1760166737 OTUPJPORWOEFOY-UHFFFAOYSA-N 430.980 4.664 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)CC=C 1760245601 JIIOFIFTPBUKAO-UHFFFAOYSA-N 449.368 4.535 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C1CCC1 1760345435 AOPYRQKNTHOUCI-FQEVSTJZSA-N 429.609 4.738 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCS2)CC1 1760385302 PRCLWCRXEGJOAJ-ZDUSSCGKSA-N 425.421 4.821 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 1760417810 IURUTKTXHSPTJC-QHCPKHFHSA-N 433.600 4.984 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1Cc1csc([C@@H](C)OC)n1 1760482172 RSGLFRPPRRZFHB-GOSISDBHSA-N 448.596 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)OC 1760485829 RMVUELMZGXCKCZ-HNNXBMFYSA-N 447.402 4.997 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCOC1 1760496771 GCDORGJXJDQCRK-MRXNPFEDSA-N 437.371 4.769 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(Cl)c1 1760500015 RUQGGMXQJHLBRF-UHFFFAOYSA-N 437.931 4.812 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](C)CC[C@@H]1C 1760516160 WPEYKEQYIVEWJF-CABCVRRESA-N 444.004 4.740 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCSC2)cc1 1761086147 GLLXBZBLFOCHMC-MOPGFXCFSA-N 427.618 4.861 30 10 IJEE COc1ccc(CCn2c(O)c(N=Nc3cc([N+](=O)[O-])ccc3C)c(C)c(C#N)c2=O)cc1 1772741253 CDONLZHXXDFIGX-UHFFFAOYSA-N 447.451 4.617 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 1862391271 XCTKPWANJVHBIT-JTHBVZDNSA-N 437.511 4.926 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2F)cc1 1862391288 XIFWYWDZBYBXMQ-AUSIDOKSSA-N 437.511 4.926 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 1862450218 BZHUVKAZCMZUIL-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OCC)cc1 1862525871 MLNCFDWGSUNTLW-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862540759 VGBUUUQCEJDBOH-LJQANCHMSA-N 428.872 4.799 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1OC 1862550173 DTRNMFRWDRISLH-XMMPIXPASA-N 449.547 4.817 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1cccc(O)c1)c1cccc(O)c1 1862588999 BUORINUGFZVDLX-OAQYLSRUSA-N 435.863 4.530 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 1862610906 WSWDKTGDGYGYKG-JOCHJYFZSA-N 435.520 4.742 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862712999 FNHKJMWTNHQDDH-LADGPHEKSA-N 427.500 4.906 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(c3ccc(Cl)cc3)C2=O)cc1 1862797525 MKECWNQWPNRBQL-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897209 BRJVQJFLDSOCBD-UHFFFAOYSA-N 430.467 4.812 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)/C=C/c1ccc(F)cc1 1870141360 NPTLGCUJRHDPTQ-SDNWHVSQSA-N 439.450 4.509 30 10 IJEE Cc1ccccc1CCC(=O)Nc1c(C#N)nnn1-c1ccc(Cl)c(C(F)(F)F)c1 1870151906 QXVBHUZXOKBKOL-UHFFFAOYSA-N 433.821 4.691 30 10 IJEE Cc1cccc(OCCCC(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)c1 1870152423 RGQRQMCEDURNBP-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1 1870153643 DTOCAWOOIPZYEB-UHFFFAOYSA-N 425.448 4.501 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc3cc[nH]c3c2)cc1=O 1871006835 YHXSMAARSJHYNJ-UHFFFAOYSA-N 436.515 4.678 30 10 IJEE CCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H]2CCCO2)cc1 1871252311 UWNRSXOCRAZHBY-RUZDIDTESA-N 443.547 4.652 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1)O3)CN(CCCCN(C)C)CO2 1871349594 YGDCZEQVJDRITI-BKUYFWCQSA-N 426.944 4.758 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1OC 1871367220 ZUWBCIUZDIVYSM-KFPJOJFPSA-N 428.440 4.939 30 10 IJEE C=CCc1ccccc1OCc1cccc(C(=O)NCCc2ccc(OC)c(OC)c2)c1 1872834430 WOOLOAFBCMIZQF-UHFFFAOYSA-N 431.532 4.984 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)c(OCC)c2)cc2c(NCC(C)C)ncnc21 1873602958 QIXOPQZWXBLDTC-UHFFFAOYSA-N 437.544 4.735 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1 1874213126 WOXVSIGFBSGRAV-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE Cc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874335535 RTYPRJBBGXPQTI-MNVTYAKESA-N 447.608 4.794 30 10 IJEE Cc1ccc(Cc2nnc(SCCO)n2/N=C/c2c(Cl)cccc2Cl)cc1C 1874360525 KPKNRDYETRNNTC-FSJBWODESA-N 435.380 4.759 30 10 IJEE CCc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCC(=O)OCC(C)C)cc1 1874419492 QFJIBXSKWSBFQM-MFKUBSTISA-N 436.581 4.605 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(C)cc1 1874436366 XNEAPJBJHMJKAD-YSURURNPSA-N 448.379 4.704 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2[C@H]2CCCO2)c1 1874446882 NJPNCZJUGIDOJW-UMFTVLFGSA-N 449.580 4.668 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1C(F)(F)F 1874460868 KNEDZQPKTYAVLF-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE COc1cc(/C=N/n2c(CC(C)C)nnc2SC)cc(Br)c1OC(C)C 1874486520 WMBCENVEOYZLSI-KEBDBYFISA-N 441.395 4.639 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C2CCC2)cc1 1874494195 UYVCZPBRRPZPLB-AFUMVMLFSA-N 437.544 4.860 30 10 IJEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874535845 ZFMBNDSHCJHLMZ-LSHDLFTRSA-N 435.336 4.839 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OCC(=O)OC 1874627027 IKDLPYGZUWPPSJ-CSKARUKUSA-N 426.509 4.974 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4ccccc4c3)cc2[N+](=O)[O-])cn1 1875095133 AKGOCAILWLREHE-UXBLZVDNSA-N 439.427 4.962 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)cc2)c(OC)c1OC 1875194455 STZSLORPHQPSAZ-RVDMUPIBSA-N 432.472 4.757 30 10 IJEE COc1ccc(-c2cn3c(CCC(=O)Nc4ccc(OC)c(C#N)c4)csc3n2)cc1 1890978281 HTEWLXLBKBFVLC-UHFFFAOYSA-N 432.505 4.523 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 1982478997 LRXRKXFQDKXDHT-WIYYLYMNSA-N 430.511 4.973 30 10 IJEE C#CC[C@@H](C[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2020095670 ZVZXDPCEAQMKLN-ZMUKGBGYSA-N 428.617 4.903 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Br)o1)c1ccccc1 2033812911 AYZYQPDNZQSVMI-KRWDZBQOSA-N 444.306 4.882 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NC 2041174705 XVMGPBDXBSCNEH-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE COc1ccc(C=CC(=O)N=C2N=C3C=CC(Cl)=CN3Cc3ccccc32)cc1OC 2042453606 SPTVYGXYUUPJLJ-UHFFFAOYSA-N 433.895 4.555 30 10 IJEE C[C@@H]1C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@](C#N)(NC2CC2)C1 2055014970 KCJQCRMJIKLFHD-UIUQJESISA-N 430.640 4.824 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079893807 VBUUOPVJQZSPQU-ZDUSSCGKSA-N 449.214 4.632 30 10 IJEE CCCc1ccc([C@@H](C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079903776 KBZBJPZFEYVZOF-SNVBAGLBSA-N 433.215 4.940 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1N 2080056177 PSSDSMGWINZGGE-CYBMUJFWSA-N 439.331 4.818 30 10 IJEE CC1(C)OB(c2cnc(Oc3cccc(Cl)c3F)c(Br)c2)OC1(C)C 2115996808 SVVUQZKWBYHRNH-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)c1ccc(Br)cc1C#N 2118196533 IYOPBBLPCUDXTG-UHFFFAOYSA-N 436.272 4.604 30 10 IJEE N#Cc1ccc(CNc2c(Br)cc(Br)cc2Br)nc1 2125919628 YTOVGDMLSSTOHK-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CC1(C)C[C@](Oc2cc(Br)ccc2C#N)(C(=O)O)[C@H]1OCc1ccccc1 2156353782 DMUGRDDFYWVYBH-GHTZIAJQSA-N 430.298 4.538 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCN(c3ccc(C#N)c(Br)c3F)C2)C1 2174813311 UNZRZRXRNTYRMM-CQSZACIVSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)C2(CCC2)C1 2174818876 FKXODUABUFOJSG-CQSZACIVSA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N[C@@H](C#N)c2ccccc2)c1 2181054480 XUQFAGVCLXFUBX-KRWDZBQOSA-N 430.302 4.791 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181137450 PCSPYYPAHXFELH-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1cc(Br)ccc1C#N)C1CCCC1 2204170635 XNMUNHZJHVMQKD-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@@H](N)C#Cc1ccccc1Br)Cc1ccccc1 2209724379 OVODXOKOCZROGK-FQEVSTJZSA-N 443.385 4.955 30 10 IJEE CC1(C)OB(c2cccnc2NCCc2ccc(OCc3ccccc3)cc2)OC1(C)C 2232275725 JTUIVZLDWNXQCQ-UHFFFAOYSA-N 430.357 4.614 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2235720643 PUSOQOVQCVVYTD-HOCLYGCPSA-N 449.311 4.624 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCCN1C(=O)OC(C)(C)C 2235721682 BDDDULXUTNQZQL-RTBURBONSA-N 435.406 4.958 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243936377 HQITVVCFDVCNCL-UHFFFAOYSA-N 445.563 4.846 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296220428 YDGYUEOQNHRMTA-ZNBHLAFESA-N 433.390 4.567 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(C)(F)F 2296222412 RNBCKLPDGYSXNS-DLBZAZTESA-N 445.348 4.717 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 2296297236 WQJOGIVOTSVECP-RTBURBONSA-N 437.422 4.964 30 10 IJEE CCS[C@H](C)C[C@H]1CC(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)[C@@H]1C(=O)OC 2297624150 KGOWJVJUFBNYEV-FTLABTOESA-N 444.380 4.768 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2306520174 CXZWUANAPYNZES-RLSLOFABSA-N 428.573 4.554 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1F 2314477610 JRWLQRSZBBJCTF-DEOSSOPVSA-N 436.527 4.536 30 10 IJEE CCN[C@H](C#CC1CCC1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2315822786 DZUCIGHAXAHZIR-XMMPIXPASA-N 439.644 4.718 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1c(F)cccc1Cl 2320974034 LSNISDKFHRPPAW-UHFFFAOYSA-N 431.924 4.554 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1OC 2323069191 RVJPXNVMFNREDD-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 2323423508 ASQOEXBVPGQNLY-UHFFFAOYSA-N 436.508 4.617 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Br)c1OCCCO 2324009988 CLNOBTCSUSXHIZ-UHFFFAOYSA-N 449.341 4.822 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2324897053 XJBXOLVOBLJDHA-UHFFFAOYSA-N 433.460 4.929 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2325477272 ULUMEIJFCCNAHV-UHFFFAOYSA-N 445.504 4.657 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C)n2N=Cc2cc(Br)ccc2O)c1 2325631284 ZXRAIPNAAOUIPN-UHFFFAOYSA-N 431.359 4.846 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccn1C 2325821046 GXRPWGRYCIQRAL-UHFFFAOYSA-N 441.601 4.886 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(OC)cc1 2325953394 ASDVDFHDYCGNJK-UHFFFAOYSA-N 443.370 4.800 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OC)c1 2326002849 PLZZELOUNZPZGP-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(OC)cc1OC 2326514672 OZCVONLXPWGUNK-UHFFFAOYSA-N 446.960 4.830 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2N=Cc2ccco2)CC1 2328142922 VZKBUBQLDWCTJE-UHFFFAOYSA-N 431.606 4.836 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1cccnc1 2328689864 PJZHBWGQNULRGO-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1OC 2328801148 FILJGULUQQRUAW-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2329699316 ANWFWWHRAAUSQE-UHFFFAOYSA-N 446.507 4.831 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 2330670802 KVCDLXOBJIIOGQ-UHFFFAOYSA-N 428.517 4.906 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)cc1 2331138126 WKNYJZMQEALUMH-UHFFFAOYSA-N 448.470 4.875 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cccc(F)c1 2331332983 JJGGIZPKAFQVJI-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2F)o1 2331695874 WWTSATLUIQJFLZ-UHFFFAOYSA-N 434.468 4.624 30 10 IJEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576568 JNNTYHOLTLQEAE-IEBWSBKVSA-N 443.397 4.608 30 10 IJEE CCCCCCSc1nc2n(n1)[C@H](c1cccc(OC)c1OC)C1=C(CCCC1=O)N2 9597338 HNVABUFFDIAJPQ-HXUWFJFHSA-N 442.585 4.990 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2ccccc2OC)c(C)n1 32972955 CYIWSKKCLGZKQW-UHFFFAOYSA-N 439.947 4.662 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC)cc1 35487671 OSAUSIITNQJPOY-NRFANRHFSA-N 439.895 4.593 30 10 IJEE CCN(CC)Cc1c(O)ccc2c1O/C(=C/c1cc(Br)ccc1OC)C2=O 37857848 JGPLJNQJINRBGQ-YBFXNURJSA-N 432.314 4.621 30 10 IJEE C=CCc1ccc(OCCCCn2c([C@H]3CC(=O)N(CC)C3)nc3ccccc32)c(OC)c1 40251111 DWEUZKJBKVDPKU-NRFANRHFSA-N 447.579 4.968 30 10 IJEE Cc1ccc(/C=C2\Oc3c(CN4CCN(Cc5ccccc5)CC4)c(O)cc(C)c3C2=O)o1 41584864 DEFRTVRFJPIYJN-IWIPYMOSSA-N 444.531 4.536 30 10 IJEE CC[C@H](C)c1ccc(N/C(=N/C(=O)c2ccc3c(c2)OCO3)NCc2ccncc2)cc1 45940389 MOLAHEZAGQPHLM-KRWDZBQOSA-N 430.508 4.722 30 10 IJEE COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccc(C)c(C)c3)cnn21 64775588 RCDYROJMSUBJLO-XMMPIXPASA-N 442.519 4.783 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)c1 169929484 FSEKTQFXBXIGRF-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1F 169936600 ZYGMAAYWHLZSND-QHCPKHFHSA-N 440.540 4.672 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCOC(C)C 169948248 BXMFYPMYWAMPDO-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)c1 169983273 YFHROQLXVKBVMF-OAQYLSRUSA-N 449.484 4.658 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccs2)c1 169989296 WZEPEQBFEHLFHW-SFHVURJKSA-N 440.546 4.609 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc2ccccc12 170044244 SYMMUSSWKNRQKM-MHECFPHRSA-N 443.499 4.606 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccco2)cc1 170067166 VSDRPGYXHATFAD-HSZRJFAPSA-N 445.471 4.910 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2F)cc1 170069396 DLMPDORISSYION-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(N(C)C)cc1 170129474 HOBWUFGXWZVPFF-HSZRJFAPSA-N 436.552 4.920 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)c1 170132642 XRCSWUGZKQKPIW-QHCPKHFHSA-N 429.472 4.962 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)c1 170204345 XYHZSXSKMLKUKP-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1 170233655 LBAJUEQSVMCKMN-HSZRJFAPSA-N 437.536 4.867 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 170237020 KJKCFFBAHFCLSN-IBGZPJMESA-N 426.856 4.769 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265769 MCXYJVRWEVHNMA-NZQKXSOJSA-N 449.547 4.632 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311358 LGUKXQOSWJUJQU-WNSKOXEYSA-N 447.462 4.829 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2sccc2C)cc1C 170316993 JBKKKIURJHFTCR-NRFANRHFSA-N 448.544 4.937 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(OC(C)C)c2)cc1 170475457 RUVRVGCSBALKBH-XMMPIXPASA-N 437.536 4.993 30 10 IJEE Cc1ccc(-c2n[nH]cc2C=Nn2c(COc3ccccc3C)nc3ccccc3c2=O)cc1 254815240 LMGIMVOLRHEKCU-UHFFFAOYSA-N 449.514 4.865 30 10 IJEE aggregator CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435352861 CFSNXJFXOSTJSF-YJBOKZPZSA-N 437.487 4.843 30 10 IJEE Cc1cccc(-c2noc(CN(Cc3ccc(C#N)cc3)c3ccc4nc(O)[nH]c4c3)n2)c1 440731341 YTDBUPSUGDQAMK-UHFFFAOYSA-N 436.475 4.705 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 460927837 OAZRIWODAIGBKK-RDPSFJRHSA-N 444.535 4.643 30 10 IJEE N#CCCCOc1cccnc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1 466600897 YLIFRAGXKOOYPQ-KRWDZBQOSA-N 429.318 4.896 30 10 IJEE C=CCC[C@@H](NC(=O)C(=O)Nc1cccc2c1OCCC2)c1ccc(C(F)(F)F)cc1 467571399 XLOVOTXBCQWUSO-GOSISDBHSA-N 432.442 4.793 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 504097152 USJVQZKTGGDXDP-QHCPKHFHSA-N 441.915 4.792 30 10 IJEE Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)c1 505219363 ZIYRNBWLANGYCH-UHFFFAOYSA-N 433.552 4.788 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1cnc(C(C)C)nc1 516318675 PJNXFUPSKDIHFG-VXKWHMMOSA-N 432.572 4.649 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@H](CCOC)C1 518010064 ARTFSTHOZQTSGU-LJQANCHMSA-N 428.577 4.570 30 10 IJEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc(OC)c1OC 526515548 JMXWVXXBUXEQKE-NRFANRHFSA-N 448.500 4.703 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)cc1 526657753 SWOOFRWYVNHBBB-UHFFFAOYSA-N 441.512 4.946 30 10 IJEE N#Cc1cccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 530908050 SIUHJOJEXIBIJR-UHFFFAOYSA-N 426.423 4.677 30 10 IJEE C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OCC2CC2)c(F)c1 540422141 BJBJMTOMJLRTKQ-UONOGXRCSA-N 427.545 4.714 30 10 IJEE CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c(C#N)c1C 610150685 IPRULMOKHSBTMC-CHWSQXEVSA-N 438.427 4.746 30 10 IJEE COc1ccc(Cc2nc(C)c([C@@H](C)NCc3ccc(C#N)cc3F)s2)cc1OC 610812571 KZJGNGQRNZQQPB-CQSZACIVSA-N 425.529 4.921 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(CC)c1 742213176 DHBNOILXFXBQLW-NRFANRHFSA-N 437.540 4.762 30 10 IJEE C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 795331955 IILDQWUJKYKSHX-XMSQKQJNSA-N 431.561 4.552 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 802592808 NJCDTNCRLZTJPH-RUZDIDTESA-N 434.559 4.843 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n[nH]1)c1ccc(F)cc1 1083907593 VNFBXSWKPWRLBH-UHFFFAOYSA-N 440.548 4.808 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1)c1ccccc1 1083984046 RNKPNLVRLSBOHU-UHFFFAOYSA-N 448.474 4.781 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)c2cccs2)n1 1084157594 MIQFAWFXNYSGQU-UHFFFAOYSA-N 444.611 4.711 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 1127315795 DSGSZULPNJPIOQ-UHFFFAOYSA-N 437.974 4.938 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1ccccc1 1127384358 QFMSYWXSVWVUEO-AUSIDOKSSA-N 426.582 4.687 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 1128144888 IHVYEHXQWDLKNG-RUZDIDTESA-N 441.552 4.722 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 1141708038 RNBPHLQWQBYPNV-JXFKEZNVSA-N 436.980 4.858 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 1142073464 IMNICFRAWFTGME-IQJRZOLZSA-N 448.604 4.909 30 10 IJEE C=CCNC(=O)CNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 1162929900 SUJQINUYYKTBQH-UHFFFAOYSA-N 445.013 4.840 30 10 IJEE CN(C(=O)COc1ccc(Br)c(C#N)c1)C(c1ccccc1)c1ccccc1 1190227498 CNFZQYFJDXWLPY-UHFFFAOYSA-N 435.321 4.948 30 10 IJEE C=CCN(CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)Cc1ccc(OC)cc1 1190457839 RYCZSMZGNQTGFB-MHZLTWQESA-N 426.560 4.858 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)cnc1Cl)c1ccccc1 1194197274 DHIYXGPQORRDGJ-OAHLLOKOSA-N 429.767 4.873 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 1214911807 FXVPCWGUGLEQBV-HXUWFJFHSA-N 448.350 4.663 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OCCC)nc1 1286306456 VIBVRFXCZIDSSM-IBGZPJMESA-N 435.597 4.569 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286319116 VZYGERPYRUFBJG-LJQANCHMSA-N 445.405 4.762 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(-c2ccsc2)nc1 1286362606 ZQKHIJXCKBYVOD-KRWDZBQOSA-N 447.539 4.798 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC1(CC(C)C)CC1 1286457890 GZWXJWYBTLRVKF-UHFFFAOYSA-N 431.559 4.869 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC1CC(F)C1 1286543567 VDFAXHWBPUKJRW-UHFFFAOYSA-N 437.357 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1286558394 OKZTUAOFOBEBJO-OFNKIYASSA-N 439.991 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@@H](O)C1 1286569491 RPXFDLSDWLLDBG-PKOBYXMFSA-N 447.421 4.970 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1286639963 AUYKVZQHJFPGFL-INIZCTEOSA-N 427.911 4.757 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CC2(N3CCSCC3)CCCCC2)CC1 1286659000 GREKKHHCXLKNEC-UHFFFAOYSA-N 431.694 4.631 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1286742992 XLECATIMUBMSPH-VXKWHMMOSA-N 446.643 4.978 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1C 1286746798 DOEDISUYZIQDCC-ROUUACIJSA-N 436.585 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1286747890 OMUFRNLJLBSVBD-WOJBJXKFSA-N 438.645 4.658 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC[C@](C)(CC)O1 1286753218 XTJKYQYOCRWRIH-CPJSRVTESA-N 432.572 4.861 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(C)C 1286759279 ASQPEFNFIRIDCT-KDURUIRLSA-N 431.625 4.909 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(C)s1 1286766065 XQKKFWFKLIYZJH-UHFFFAOYSA-N 433.581 4.859 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1ccco1 1286827652 VZHFKOLYGGEHGF-IBGZPJMESA-N 440.569 4.816 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCCC1 1300324211 BLSDVJDKGVSOQQ-NQIIRXRSSA-N 446.064 4.802 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CC[C@H](F)C1 1300650712 XEYJIYVLZZYTAN-RXVVDRJESA-N 426.536 4.848 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1300769403 GGDHNADSPITAKZ-RTBURBONSA-N 426.630 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Cl 1300886469 XTPYMEIQJKITQQ-GIVPXCGWSA-N 430.980 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1CCC(OC)CC1 1300906335 NYLHKPXIPZINNG-UHFFFAOYSA-N 439.648 4.799 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ncc(CC)s2)CC1 1301066002 LRWSMZGYSOPKGU-QGZVFWFLSA-N 441.576 4.975 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(F)(F)c2ccccc2)CC1 1301110249 YYBMNPIGNASBFT-QHCPKHFHSA-N 446.542 4.513 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1301176323 WRMBODBAEKOQQK-ROUUACIJSA-N 446.437 4.983 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1301412576 DKKVRCZXHHWHOR-CVDCTZTESA-N 439.629 4.813 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1301468702 LRFUBDLBVGTBMC-DHIUTWEWSA-N 437.632 4.751 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(OC(C)(C)C)nc2)cc1 1305916334 DKBWDIJMSBJVNB-SFHVURJKSA-N 432.572 4.724 30 10 IJEE C=CCN1CC[C@@H](Sc2nc(-c3ccc(Br)cc3)nc3ccccc23)C1=O 1307239040 GOORGFQMKJFDJC-GOSISDBHSA-N 440.366 4.938 30 10 IJEE C=CCN(CC=C)C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1349730760 RJTHHSPGXLMQBJ-UHFFFAOYSA-N 427.364 4.576 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)cc1Cl 1350879485 AGMPADFMNIENPT-LLVKDONJSA-N 442.224 4.875 30 10 IJEE C=CCN(C(=O)[C@H]1CCC[C@H]1CCC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352004946 VVGWIJHSYGSTLK-APWZRJJASA-N 432.611 4.949 30 10 IJEE C=C(C)[C@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)OCC 1353536019 ZHEOTAXINBQHDB-SFTDATJTSA-N 433.017 4.988 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cc(C(CC)CC)no1 1358871685 JAUQWPLLOLPTMT-SJORKVTESA-N 439.535 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1OC 1359065498 RYAZXXHFMWDSHF-LRXVAGHRSA-N 443.389 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)C1 1359095349 NPBFHGUHQIVNOP-LEDOBFOHSA-N 440.588 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2scnc2C)CC1 1359161602 KGIXTBMJYSVXBH-UHFFFAOYSA-N 444.402 4.872 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOC2CCCCCC2)CC1 1359162541 VBVOFLCNZBMVLC-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1359166345 PFTLRLPTMPUIIR-NLFFAJNJSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1CC 1359184135 CXIPALAUEDUEBP-SFHVURJKSA-N 428.577 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1359184732 YEMMSYAIZLHOAN-MSOLQXFVSA-N 430.618 4.576 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1359234986 JCMRRNVPSAKUQQ-INIZCTEOSA-N 449.958 4.759 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1CC1(CC)CC1 1359256735 OGZMOPICFFVBLA-UHFFFAOYSA-N 432.597 4.888 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC=C(C)C 1359270207 FVYOCVHMCDKHGV-UHFFFAOYSA-N 432.572 4.771 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1359345632 LRYOBTLUQDHNFJ-UHFFFAOYSA-N 444.645 4.869 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 1361104962 ZSPWELXGSFCAFZ-SFHVURJKSA-N 434.948 4.969 30 10 IJEE CC1CCC(N2C[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2=O)CC1 1361124545 FJWKOJQFAFNQMF-LVKMRUPZSA-N 449.526 4.642 30 10 IJEE C#C[C@H](NC(=O)Cc1sc(C)cc1Br)c1ccc(Br)cc1 1436650519 CIPJCQSZTYZRPW-AWEZNQCLSA-N 427.161 4.615 30 10 IJEE C=CCOc1ccc(CC(=O)O[C@H](c2cccc(Br)n2)C(F)(F)F)cc1 1460399831 FPVOHOXQMWPEEC-QGZVFWFLSA-N 430.220 4.798 30 10 IJEE N#C[C@H]1CN(Cc2cc(F)ccc2Oc2cncc(Cl)c2)CCN1Cc1ccccc1 1462026592 DZWDEPPYFLWZDX-QFIPXVFZSA-N 436.918 4.876 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 1465181126 NJEUWXANLKZYJG-IBGZPJMESA-N 437.471 4.879 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1C#N 1466980748 AHCZCIIBQZMPLP-UHFFFAOYSA-N 448.458 4.584 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2ccccc2)C(=O)C1)c1ccc(C(F)(F)F)cc1 1469492190 SVHQGWOXMYNXJJ-HXUWFJFHSA-N 431.458 4.771 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN([C@H]2CCc3c(Cl)cccc32)CC1 1473352308 FWJYVKNDQLDWHN-LEWJYISDSA-N 430.777 4.972 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCCCc2ccc(Br)cc2F)cc1 1474961070 VWYXCRCSHWWJDC-UHFFFAOYSA-N 426.351 4.618 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)cc1 1475858630 HTJOCRSSLFADIH-IBGZPJMESA-N 440.341 4.571 30 10 IJEE C#CC[C@H](NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1478244970 CKFNHDZIVKFBRO-PKTZIBPZSA-N 439.600 4.820 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1507557424 WQYFRLSUJGVBHR-QHCPKHFHSA-N 436.531 4.739 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1507570506 FJOVKXUIHWDZNF-UHFFFAOYSA-N 444.023 4.625 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1507576652 LPFCFTMZJDCXOZ-UHFFFAOYSA-N 432.572 4.731 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1507577577 RIJIBKYEIAZDNC-FXAWDEMLSA-N 445.405 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCN(C)C1CCCCC1 1507677476 ZVSRTRGTCTXKJL-UHFFFAOYSA-N 449.668 4.606 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccc(C)c1 1507757004 SVKLFPVMQQGHFY-NRFANRHFSA-N 437.638 4.650 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CCCCC2)C1 1507759575 KDQWKGBGRDQJSZ-WOJBJXKFSA-N 430.662 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(CN(C)CCCC)CC1 1507795360 DLAFTSGGFLSXHL-ZEQRLZLVSA-N 443.680 4.865 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1nccs1 1507925481 GSRVSHHOGMILCH-UHFFFAOYSA-N 449.422 4.538 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1507929708 UFAOROJLTWKSIM-HXUWFJFHSA-N 441.595 4.568 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(OCc2ccccc2F)CC1 1507948923 XIQQWZJLVHOUIU-JOCHJYFZSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CC(C)(C)C(F)(F)F 1508007596 DHVGZZIJWZCJBA-MRXNPFEDSA-N 426.458 4.702 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCCCC1 1508008154 CPIDUBKCSNJWAL-UHFFFAOYSA-N 438.597 4.903 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(F)(F)F)c2)C1 1510285415 IATASTLUGIINOA-OAQYLSRUSA-N 426.446 4.537 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(Br)ccc3C2)cc1OC 1515499446 ACFZMVHZWYSHNY-UITAMQMPSA-N 428.326 4.621 30 10 IJEE CCOC1CC(CCn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@H](C)CC#N)C1 1516360183 CTUHMIGYGNYIJH-XEVCZEQESA-N 432.572 4.745 30 10 IJEE CC[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)n1nnc(-c2ccc(Cl)cc2)n1 1526566804 ALYJVYXVIQVKEC-SFHVURJKSA-N 449.927 4.578 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnnc(-c2ccccc2)c1 1527807580 ZRSGFLFZGSSTRO-UHFFFAOYSA-N 426.289 4.874 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(Br)cc1 1528087325 BQOQCVSPLNPRPX-LJQANCHMSA-N 425.257 4.880 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(Br)cncc3s2)cc(OC)c1OC 1528662485 XDOLHWDPCYAKHD-UHFFFAOYSA-N 447.354 4.735 30 10 IJEE C=CCN(C(=O)c1cc2ccnc(Cl)c2s1)[C@H](Cc1ccccc1)C(=O)OCC 1529015508 XBOZXVMLVXEBOY-QGZVFWFLSA-N 428.941 4.752 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(OC)c(OC2CCCC2)c1 1531613096 VSQHMAKAJJFWPJ-UHFFFAOYSA-N 440.492 4.760 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)CCCN1C(=O)OC(C)(C)C 1532518181 XTSIQLCETIQFAR-DEOSSOPVSA-N 440.544 4.892 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](CC(=O)OC)c3ccccc32)s1 1533047220 BDUDHURKRJWLPP-CQSZACIVSA-N 436.986 4.532 30 10 IJEE C=CCOc1ccc(COC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1 1536721775 LKPFBFIQBRWXTP-UHFFFAOYSA-N 428.550 4.698 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(c2ccccn2)CCC1 1538975288 ZGYQSPRPGVGZQB-OALUTQOASA-N 433.531 4.532 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1539148531 PUNZAQRRWSQDBZ-UEXGIBASSA-N 430.980 4.592 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC(=O)NC(C)(C)C 1539686423 UYZVTNWATRWCTJ-UHFFFAOYSA-N 431.993 4.740 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](C)N(C)C2CC2)CC1 1539856155 SANAHJFLIWYFJH-NRFANRHFSA-N 437.632 4.928 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1540087385 XOWXFZOOSSVNCQ-DFBJGRDBSA-N 425.621 4.607 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1Br)O[C@@H](C)C2 1584220084 HIBOTGZHEJSUNN-YLQAJVPDSA-N 441.325 4.785 30 10 IJEE C#C[C@@H](NC(=O)C(C)(C)c1ccccc1Br)c1ccc(Br)cc1 1584708449 PDFMVIAHMAUVNU-QGZVFWFLSA-N 435.159 4.980 30 10 IJEE C=CCOc1ccc(CC(=O)Oc2cc(Br)ccc2Br)cc1 1586700981 UJHQSJJCWADFAG-UHFFFAOYSA-N 426.104 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)c1nc(C)cs1 1587561698 HFWHWRDHYPYCGY-BHYGNILZSA-N 427.549 4.584 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1587711609 BYGKKBOVNBMWBU-XMSQKQJNSA-N 436.581 4.785 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCCC)CC1 1587712365 RTAJZMVXEOJZLA-SFHVURJKSA-N 448.409 4.625 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccoc1C 1589449371 CAOCAHRBCBJOOT-UHFFFAOYSA-N 445.361 4.866 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCCC 1589496299 XNZVFOHDYIYHDN-CRAIPNDOSA-N 436.398 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CCC(F)(F)F)CC1CC1 1589528714 IIUPGZFUVKMVPS-QYZOEREBSA-N 442.526 4.670 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1594004152 VWWNGZDRTHTUED-BRWVUGGUSA-N 428.955 4.821 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(OC)CC1)c1ccccc1 1594543631 DAMBXKHMOGURIE-JQYIIUTOSA-N 438.616 4.927 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(F)c1)C1CC1 1595027162 YVTPKZAGCAGKEU-UHFFFAOYSA-N 444.352 4.583 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cccnc1OCC 1595179029 WACUZHPFVALIER-UHFFFAOYSA-N 440.551 4.822 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1595442533 QTXXMWAAIDPGFJ-VWLOTQADSA-N 426.605 4.982 30 10 IJEE C#CCN(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)[C@@H]1CCCc2ccccc21 1611222472 BUUSUDHSDRJDCA-LJQANCHMSA-N 425.410 4.908 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12 1611460360 PSNKEAKFSWLNIL-UHFFFAOYSA-N 445.494 4.952 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2CCCCO2)c1C 1611821884 AQPUMWGGDFVKIH-RBBKRZOGSA-N 437.588 4.734 30 10 IJEE C=CCn1c(SCc2ccc(Br)nc2N)nnc1-c1cccc(Cl)c1 1613659204 OMVVDAARLPTWJE-UHFFFAOYSA-N 436.766 4.817 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)n(C2CCCCC2)c1C 1616568483 HMWWNYUEBYBOSY-UHFFFAOYSA-N 429.568 4.957 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 1618002941 SRZRLXQZYBQQPU-QUCCMNQESA-N 444.620 4.681 30 10 IJEE CC(C)c1ccccc1OCCC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1618705062 DTWNKZVJBLBJIN-QFIPXVFZSA-N 425.960 4.641 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 1623835935 ZYUGGYUOMNMJLN-FQEVSTJZSA-N 437.540 4.866 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](C(=O)NCCCCCC)C1 1627166657 SAZQLRXDYREDAV-QGZVFWFLSA-N 440.506 4.819 30 10 IJEE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1628900575 HZZDBYGSJGFMCV-FNZWTVRRSA-N 443.522 4.669 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(Br)cc1 1632132297 IMCLMPAUZTXTNA-QRFRQXIXSA-N 446.414 4.567 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccccc1 1633476810 XAXNFPFYRBYFPZ-OAQYLSRUSA-N 447.539 4.650 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2Br)cc1 1635152542 SJJBZKISVRTDOW-IBGZPJMESA-N 429.358 4.931 30 10 IJEE C=CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1635397749 QMHOGZDPQADLNM-UETJRYKRSA-N 428.532 4.787 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 1636026957 SGINXCZRTSTTGE-INIZCTEOSA-N 440.924 4.975 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 1636098585 KIALHLRAMOXMDO-GHTZIAJQSA-N 429.358 4.719 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1646252023 HCCQFNYVQJMHMM-ZACQAIPSSA-N 438.490 4.639 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2n[nH]c(C)c2-c2ccc(C)cc2)nnc1-c1ccco1 1648320831 JEWFXJUOYDHSGT-UHFFFAOYSA-N 448.552 4.852 30 10 IJEE C#CCN(CC(=O)NCc1ccccc1COc1ccccc1)[C@H]1CCCc2ccccc21 1648423562 AAFQHRVYAAMJED-NDEPHWFRSA-N 438.571 4.895 30 10 IJEE COC(=O)c1ccc(-c2ccc(CN3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)o2)cc1 1652349484 AMCPHAQVYLCHBS-HSZRJFAPSA-N 449.938 4.769 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc2c(=O)n(-c3cccc(C)c3C)c(S)nc2c1 1653192460 CIFUHBUMRZZRBK-IBGZPJMESA-N 433.577 4.862 30 10 IJEE C=C(C)COc1cccc(NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 1657469010 NTNFGWHYKLXBRC-UHFFFAOYSA-N 427.545 4.904 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 1662653506 ASVZOTAILWUJKD-JXFKEZNVSA-N 448.972 4.541 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1 1668825479 ZPKXEXAMLANKIE-PZJWPPBQSA-N 434.342 4.771 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 1672770633 UGTYUKUOUHWVBV-UHFFFAOYSA-N 441.597 4.717 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)cc1 1672951805 IHTYLQRASIIBGM-UHFFFAOYSA-N 448.563 4.743 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(F)cc1 1674014926 MIGSRGMMRKAEES-UNMCSNQZSA-N 443.563 4.569 30 10 IJEE C#C[C@H](NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1)c1ccc(Br)cc1 1679183653 GUPZQCAEERNGMZ-UZLBHIALSA-N 428.374 4.552 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(Br)cc1 1680628743 BPMGBFMEOAJUMP-ROUUACIJSA-N 431.305 4.864 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(c2cc(OC)ccc2Cl)CC1)c1ccc(F)c(F)c1 1681550881 BEELXQSIHROFFW-NRFANRHFSA-N 435.902 4.776 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1)c1ccc(F)cc1 1682345542 WVIRDNFRZKVVHG-RPWUZVMVSA-N 436.527 4.659 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)c1ccc(Cl)cc1F 1682366390 FHBUCYINPAENDC-ROUUACIJSA-N 436.712 4.858 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC/C=C\c1ccc(Br)cc1 1683019835 RKDOUTJKXOVZSY-HYXAFXHYSA-N 433.346 4.726 30 10 IJEE C#CCC1(NC(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CCCCC1 1683261161 YVGNDLRHDCKJTB-UHFFFAOYSA-N 425.573 4.505 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)CC1 1685625964 GTQJSZRVGIRDLC-UHFFFAOYSA-N 446.334 4.649 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)C(C)C 1689828560 PIZKEUCDHLXRJO-IUKKYPGJSA-N 432.996 4.553 30 10 IJEE C#CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CCc1cnccn1 1689919508 QFUSJTGGYCDMJM-UHFFFAOYSA-N 446.555 4.695 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1oc(CC)nc1C 1690083739 MSDUSUSKDLGQTB-UHFFFAOYSA-N 435.572 4.656 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2cnccc2c1 1690163594 KSDKQTNVOZSPDQ-UHFFFAOYSA-N 448.983 4.545 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC1(C)CCOCC1 1690196692 UDVRTYWPUBAUDG-HXUWFJFHSA-N 449.418 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnccn1 1690240833 LATDNGMLQNTWLV-REWPJTCUSA-N 446.599 4.650 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccoc1C 1690251708 YDTXOVXORBLAAW-ZCYQVOJMSA-N 434.584 4.972 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(F)(F)CC1 1690251720 YGYGPYMIQZWDRJ-UGKGYDQZSA-N 446.542 4.691 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccsc1 1690287596 JKWAZHGZMBSAFC-SFHVURJKSA-N 431.606 4.667 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)OCC)CC1 1690366391 ZCTYACMFVNMXQZ-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690399012 LIMCXGYVBATUQR-XLIONFOSSA-N 445.405 4.661 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690503749 MXHBYOFLXDPNSD-UHFFFAOYSA-N 441.526 4.815 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1690633147 LSHOQBVASFDAHZ-FPOVZHCZSA-N 439.604 4.823 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690633253 ROALQSZHIXAZOG-SFHVURJKSA-N 430.478 4.750 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)N1CCCC1 1690995289 GWOJNESFEVEZFP-YLJYHZDGSA-N 438.963 4.624 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1)c1cccnc1 1691579248 BOHDMOFPIGENIZ-JYFHCDHNSA-N 439.567 4.782 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1695605891 CIZGFUADOTWNBN-MSOLQXFVSA-N 440.661 4.602 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@H](C)Cc2cccs2)c1 1705507025 PBOOQRGGOVOCST-SFHVURJKSA-N 447.608 4.542 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCCN1CCCC[C@@H]1C 1705625654 RRDCTUFXGXTCMP-NRFANRHFSA-N 448.590 4.707 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC(OCCc2ccccc2)CC1 1705680717 FXZLOSZUVAMMQQ-KRWDZBQOSA-N 447.421 4.928 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(C(C)(C)C)CC1 1705730729 NNMNNTOQRJDAQA-UHFFFAOYSA-N 448.409 4.811 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC2CCN(CCC)CC2)CC1 1705783838 XCCAKYYXDLXPHN-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(Br)cc2)CC1 1705785536 MAHBENYFUGRLSL-LJQANCHMSA-N 431.378 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@@H](C)c2cccc(O)c2)nnc1[C@@]1(OC(C)C)CCOC1 1705802609 PRTIWVCNOPSJHJ-UQBPGWFLSA-N 442.604 4.824 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)OCCc2sccc21 1705835061 ZAYJRQTWXYXURO-QMHKHESXSA-N 442.560 4.729 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)C1CCCCC1 1705871150 ZMQMQDMXTBBULA-OAQYLSRUSA-N 448.409 4.545 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1N(C)CCCC1(C)C 1705878096 UIAABFCFKZAOMP-XMMPIXPASA-N 444.627 4.696 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC2(F)CCC2)C1 1705929548 SOHVURWYJATOTK-HXUWFJFHSA-N 428.552 4.538 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(CCC#N)CC3CC3)n2CC(F)(F)F)c1 1707318065 FBGPFXIVXCIRMW-UHFFFAOYSA-N 435.494 4.981 30 10 IJEE CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709622347 CAGCZJCPDUDUBB-UHFFFAOYSA-N 443.338 4.587 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)C1CCCCC1 1722284555 KPXHOUYQAQASIN-MRXNPFEDSA-N 434.415 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCc1nc(C(C)(C)C)cs1 1722302773 ULFDAJDZQTVGHI-IBGZPJMESA-N 435.641 4.908 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722322045 IPBQUYHFBMKMKA-UXHICEINSA-N 440.613 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1722465945 GGGZZKNPWLJKJY-VBANMALSSA-N 433.644 4.868 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccccc1CN(C)C(C)C 1722469890 NQIYJVAVGSQFDY-AREMUKBSSA-N 431.584 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCC1CC(OC(C)(C)C)C1 1722475229 YEEVLEOAKBFSGE-SCPLRKQGSA-N 426.630 4.906 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CCSC1 1722479676 GPHPQSIZRQTYFM-GFCCVEGCSA-N 431.762 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722491184 ILHHROFGOOBWMQ-VAWZGJIGSA-N 441.595 4.627 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(CN(CC)CC)c2)CC1 1722576519 KHGWORQNQWIXFA-UHFFFAOYSA-N 432.616 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC)CC1 1722584197 BQINXXWMUOPEMW-UHFFFAOYSA-N 430.618 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1CSC 1722587362 LOQYQTFNBMVTDT-KRWDZBQOSA-N 430.618 4.896 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1722595983 ADDRMFRLDIGQCW-JYRKZWEQSA-N 430.543 4.869 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 1722596142 DFNRVWQVEJYVBD-FQEVSTJZSA-N 439.604 4.694 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@@H](C)C1 1722655738 JSYFQCJYMOWMHR-GBXCKJPGSA-N 433.600 4.890 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C(C)C)N1CCCC1 1722667113 WJICSNAWZKWFIO-DEOSSOPVSA-N 430.600 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1cnccc1OC 1722674938 IACRJYIOWIBODG-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2C)C1 1722710932 QLEQOTQSQKJSON-FGZHOGPDSA-N 447.583 4.568 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN(C)C(C)C)C1 1722717128 DWPJZWIJVZLMKT-QHCPKHFHSA-N 439.648 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCC(F)(F)C1 1740560677 NTBYZZCBWXIYPE-ICSRJNTNSA-N 430.543 4.745 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740570749 SDWKVTAFSYXXFC-HXUWFJFHSA-N 430.980 4.662 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)SC 1740663865 ANGRMUCAWOHVQG-LBPRGKRZSA-N 427.799 4.572 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1SC 1740714321 ZNGUOTKMQMCQJG-UHFFFAOYSA-N 444.029 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccccc1CN(C)C(C)C 1740733310 JQBQUUKJZRSYIM-HHHXNRCGSA-N 433.644 4.891 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC(C)(C)C 1740762815 GTHHATCUDOBFPM-NZQKXSOJSA-N 426.605 4.937 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC2(CCCC2)C1 1740778949 YMLABJGFTLYOQQ-UHFFFAOYSA-N 426.561 4.708 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1740814906 HKDKQKJJAZZJRM-RTBURBONSA-N 434.943 4.533 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740828026 TXEMEGHMNOKQNC-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1c(F)cccc1F 1740894122 JFVRYIILLNVHPF-UHFFFAOYSA-N 439.329 4.912 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H](C)C1 1740915383 FCJAWXOOKPCGJU-IFMALSPDSA-N 447.583 4.665 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC[C@@H](C)C1 1740940208 XBIJZDOLGAWZJW-LJQANCHMSA-N 446.039 4.748 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(OC)C1 1740996849 JSHWDCYLPDJGDQ-DEOSSOPVSA-N 437.613 4.726 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740997374 ZCNJXRKNPXLYGF-YLJYHZDGSA-N 448.608 4.728 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1741001260 PDZOTLZQLIYRFU-UHFFFAOYSA-N 428.650 4.585 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@H](C(C)C)C1 1741002212 JWDDTYPTQARSHR-IBGZPJMESA-N 438.613 4.644 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)C[C@@H](C)C#N)s1 1744358872 GCLHQQDAGOEJKI-AWEZNQCLSA-N 429.977 4.875 30 10 IJEE COC1(Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(C#N)CC2)CCCCC1 1748504841 FESBCYJWOJOXBX-UHFFFAOYSA-N 437.588 4.563 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1CCO[C@@H](C)C1 1748916851 GIJFFSYFECTVSP-HOTGVXAUSA-N 449.368 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC1(CCOC)CC1 1749061158 MUZLTPSFWJWGDO-OAQYLSRUSA-N 443.389 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCN(C)CC(F)(F)F 1749152730 FEAWXLRMJGEZKB-UHFFFAOYSA-N 434.510 4.713 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)C2CCCC2)CC1 1749330582 HXPNZOCZIHXLPY-UHFFFAOYSA-N 445.558 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749368818 RBCZDJOXTJPMSK-UHFFFAOYSA-N 443.680 4.944 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(Cl)cccc2C1 1749386851 MFMKZVJSNOZVLH-UHFFFAOYSA-N 429.996 4.769 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cnn(C)c1 1749393182 NJLDEZFAWVOZDJ-UHFFFAOYSA-N 447.356 4.573 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1749424347 GRKLVLHNURKANF-UHFFFAOYSA-N 444.627 4.963 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749434105 HZQFKZJGFJJDNJ-OAQYLSRUSA-N 434.588 4.558 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C/c1ccccc1 1749486761 GKUZAMPYNQTZIS-PAGBRTJLSA-N 437.588 4.728 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H](CC)N1CCCC1 1749554418 SHMUKURFNLMZMH-TZIWHRDSSA-N 429.634 4.648 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(SC)CCC2)C1 1749698270 SGQBRNZRBRRMCV-YLJYHZDGSA-N 446.592 4.624 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1CCc1nc2c(s1)CCCC2 1750792033 HXBRWLGSRDKETP-UHFFFAOYSA-N 449.628 4.684 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@H](C)C1 1760299026 DZPUSCJXCDVHNC-GFTAFNIFSA-N 441.620 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760334205 VBLNYYLBQQMFBZ-WKCHPHFGSA-N 434.588 4.737 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1760340703 KSLLZRMQADNZLG-ZJSXRUAMSA-N 426.605 4.937 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C(C)C)C(C)C)CC1 1760382638 VJUHGICNDMLWLI-FQEVSTJZSA-N 429.584 4.832 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1760392291 LECKYYSXBFQOGI-JOCHJYFZSA-N 437.613 4.686 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCC2CCN(CC)CC2)CC1 1760393437 QSTXXYBMMGZDFB-UHFFFAOYSA-N 437.632 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1760410659 MOPMCRRXYUGNSK-UHFFFAOYSA-N 448.615 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1760415732 JEKJOSXPQURZOR-JOCHJYFZSA-N 436.556 4.939 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCSC1 1760477561 DCTDFMUUCPHZNA-FQEVSTJZSA-N 437.613 4.628 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccsc1)N(C)C 1760481140 NYGNMORUYRNJEB-QFIPXVFZSA-N 432.597 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1Cc1nc(C(F)(F)F)cs1 1760496500 WZPQGGDMAKMDQK-UHFFFAOYSA-N 449.502 4.580 30 10 IJEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1 1760764447 GAFGKTGIJCHDDG-UHFFFAOYSA-N 444.587 4.514 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1771528590 CDULMRCJAOQZHF-IQUTYRLHSA-N 425.405 4.820 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)n2)c1 1860566220 ITUKQYCUUOYEEH-OUKQBFOZSA-N 426.476 4.645 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2F)cc1C 1862400439 DVOOJGJKFAMDRG-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862481700 FAFIYNGFJLYTRK-DEOSSOPVSA-N 430.548 4.898 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862482796 VDIGJDIBRZKQCH-FQEVSTJZSA-N 447.362 4.832 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(O)c1 1862489537 CDPLGNPHJMBDCG-HSZRJFAPSA-N 437.536 4.794 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1Cl 1862491194 NLQKQJRVKGKMQT-NRFANRHFSA-N 427.928 4.962 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862543350 FEEUZBYILVXVIC-ISKFKSNPSA-N 431.532 4.631 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1862583398 AFMLDPVSFSKACQ-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 1862688535 YTWKVOPQYOJNKW-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 1862738830 KLYMCZBQIGVJJE-NRFANRHFSA-N 431.448 4.597 30 10 IJEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 1865867569 FESJRTMKVFXKPW-UHFFFAOYSA-N 449.557 4.680 30 10 IJEE CC(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCN1CCCC1 1870232910 OPLBHSYXDKUQGJ-UHFFFAOYSA-N 439.625 4.817 30 10 IJEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870794276 HXHSBCCYRXABGQ-UHFFFAOYSA-N 426.557 4.666 30 10 IJEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870833519 MBGSQXRQUXCZBC-JOCHJYFZSA-N 438.572 4.865 30 10 IJEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1cccc(C)c1 1871118314 KIZHJTPZERAYOA-UHFFFAOYSA-N 427.589 4.774 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1ccc(CC)cc1 1871165930 KIDFRTYHKSJYTN-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCCCCO)CO2 1871353434 QIBCJZANHQFTCE-JAIQZWGSSA-N 431.891 4.718 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc(Cl)c1)C3=O)CN(CCCn1ccnc1)CO2 1871355236 ZAELXCPKWDEUOM-NHDPSOOVSA-N 435.911 4.703 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871366731 OXYYPKBBEVIRDI-OYKKKHCWSA-N 446.455 4.695 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCc3ccc(C(=O)OC)o3)c2C)C1=O 1871438527 CRNPSFPEGNEWFH-XKZIYDEJSA-N 434.444 4.969 30 10 IJEE COc1ccc(C)cc1NC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871446752 PZWKBHGPEPORII-XKZIYDEJSA-N 433.460 4.929 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871986711 FAYUGPDGPGFAIT-JTSKRJEESA-N 446.588 4.981 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872297124 AOAHSTCMBZAELQ-NRFANRHFSA-N 434.989 4.941 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c([N+](=O)[O-])cc1OC 1872771940 GCVYHTGSIBMEME-CQSZACIVSA-N 441.440 4.673 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCCCN(CC)CC)C1=O 1873161848 TXSMNQRMFYLQGQ-UHFFFAOYSA-N 427.633 4.839 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(F)cc1 1874464432 JHTZNEMJIRGJBM-AFUMVMLFSA-N 449.511 4.853 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1O 1874467688 WMCDSHBPGXPZDZ-SSDVNMTOSA-N 426.885 4.777 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccs1 1874494971 NLBVHGUCTKFFPR-LPYMAVHISA-N 425.583 4.783 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C(C)C 1874510108 HAUUFCCPQCTQPA-BUVRLJJBSA-N 435.553 4.579 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1OC 1874593896 HDERCFWWSULDDM-XYDKVEKUSA-N 445.515 4.856 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1OC(C)=O 1875110751 ATQXAFYOZROGQG-RUDMXATFSA-N 434.242 4.577 30 10 IJEE Cc1ccc(Br)c(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c1 1890979204 YIDPGNNKDGAWPB-UHFFFAOYSA-N 426.232 4.589 30 10 IJEE Cc1nc(-c2ccccc2)sc1CC(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891417678 GBSYIIWIDITMLR-UHFFFAOYSA-N 444.478 4.878 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)on3)CC2)cc1 1891449872 GWENTZIMKRKZON-UHFFFAOYSA-N 434.499 4.843 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)c1ccc(-c2nc3ccccc3s2)s1 1891646991 AJEXVXFFUQWNHU-UHFFFAOYSA-N 443.597 4.816 30 10 IJEE C#C[C@@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C1CCCCC1 1902259523 HAZWMGNOXRJJOJ-RUZDIDTESA-N 442.559 4.756 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1950332806 QTPOQGLOVJMFKN-LOSJGSFVSA-N 427.589 4.597 30 10 IJEE CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C(=O)O)on1 1952192724 RKTNPXSBICXZCR-FQEVSTJZSA-N 438.505 4.661 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ncc(I)s1 1960006456 LFDBPRAYIJMPAN-MRXNPFEDSA-N 428.339 4.561 30 10 IJEE C=C1C[C@H]1C[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1996703355 WLUPXKFMWIBRPZ-XZOQPEGZSA-N 427.633 4.880 30 10 IJEE Cc1ccc([C@@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)c(F)c1F 2079856595 SRBRPPIUSSBXSD-OAHLLOKOSA-N 447.267 4.826 30 10 IJEE C=CCN(CC[C@@H](NCC)c1cccc(OC)c1Br)C(=O)OC(C)(C)C 2142379872 KFEJINVDCYENQW-MRXNPFEDSA-N 427.383 4.922 30 10 IJEE C=CCC1(Nc2ncc(Br)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 2162327284 IBYQBVRXEJQWRM-UHFFFAOYSA-N 441.326 4.510 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3cc(Br)cnc3C#N)CCC[C@@H]12 2167618387 QXDSLQBAMRQKNJ-XLIONFOSSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cc(Br)cc(F)c1C#N)C2 2174771775 RGYQNIBXHLVZBP-UHFFFAOYSA-N 438.341 4.687 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1Br 2180912604 PKRHOGDBIHZAHU-ZDUSSCGKSA-N 449.267 4.713 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(Br)c1 2181140257 YIXBZSFWCMHKDJ-GUYCJALGSA-N 436.350 4.733 30 10 IJEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1c(N)cnc2ccc(Br)cc12 2202057857 TTYNZEHSIDZKLU-ZDUSSCGKSA-N 436.350 4.675 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(N)C#Cc2ccccc2Br)C1 2235724127 FYTQZZXEIUOQAO-JBYIUTFZSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2ccccc2Br)CCC12CCC2 2235726189 JUVPFQDHLKHKGD-PKOBYXMFSA-N 433.390 4.698 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)nc2)OC1(C)C 2241558883 JNXPTCROGNBGOQ-UHFFFAOYSA-N 442.324 4.742 30 10 IJEE CCN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)c1 2255538601 MYSJIOUMJBTWPJ-UHFFFAOYSA-N 433.279 4.667 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(C#N)(Nc1ccccc1Br)C2 2270390294 OBIPYCVIAZBMHK-ZIAGYGMSSA-N 438.391 4.638 30 10 IJEE N#Cc1c(Br)cccc1NCCc1cccc(I)c1 2273803214 SIMQLYVJWVSDIT-UHFFFAOYSA-N 427.083 4.580 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCC 2274019760 FBCZVRRBSGDSLF-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE CN(Cc1ccccc1)C1(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CCCCC1 2283016941 VDNZAZNNGKNMOR-UHFFFAOYSA-N 449.448 4.815 30 10 IJEE C=C(COC(C)C)[C@H](OCCCN)c1scc(Br)c1Br 2293414036 QOQYVSJOBJIJAB-ZDUSSCGKSA-N 427.202 4.661 30 10 IJEE COc1cc(C=C2SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)cc(OC)c1OC 2296033214 NTPGYMQNBCMQPC-UHFFFAOYSA-N 438.427 4.623 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](O)C#Cc1cccc(Br)c1)c1ccccc1 2296224236 IDIMLIFDRUCZFI-VQTJNVASSA-N 430.342 4.818 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@@H](N)C#Cc1ccc(Br)cc1)C2 2296288912 LVZZUAIPSXVSOP-UFYCRDLUSA-N 433.390 4.696 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)C(C)C 2296298025 FVDPEOLWXMELPQ-QUCCMNQESA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C 2296301722 YFYHQAIGLAJNRE-XAMWDVODSA-N 435.406 4.670 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C(C)(F)F 2296310947 PTMOQNCEDDDZPV-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2c(ccc3c2OC(=Cc2ccccc2)C3=O)O1 2297596127 PBEIQOHEVDOHKC-SFHVURJKSA-N 426.424 4.515 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccs3)ccc2O1 2297742394 JOPBGYFRAMTGQV-MWTRTKDXSA-N 445.540 4.736 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2305316646 NTJSQXCEURLEAC-PXDATVDWSA-N 430.589 4.801 30 10 IJEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC1(C)C 2318403082 UVTDEEORNPEJFL-XTEPFMGCSA-N 432.656 4.929 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319732779 DKZHUNKLRIEJCQ-MRXNPFEDSA-N 430.354 4.650 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2320933578 VKYJWPMPDVFCBM-UHFFFAOYSA-N 434.352 4.760 30 10 IJEE Cc1ccc(COc2ccc(C=Nn3c(S)nnc3COc3ccccc3)cc2)cc1 2321901571 NEQBKSHEXQASII-UHFFFAOYSA-N 430.533 4.915 30 10 IJEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)o1 2323178053 BQNVABPPEPTJGQ-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)NCc4ccccc4Cl)c3C)C2=O)o1 2325645556 MLOUIKDVCBYNKI-UHFFFAOYSA-N 437.879 4.861 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccc[nH]1 2325821595 OFAOMNVHELVIJX-UHFFFAOYSA-N 427.574 4.876 30 10 IJEE CCOc1c(C=Nn2c(COc3ccccc3Cl)nnc2SC)cccc1OC 2327601293 KCZBEGPZGKBQGD-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2327674375 LHBCRBMHMOTEIN-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCN[C@H](C(=O)C=Cc3ccc(C(C)C)cc3)C2)cc1 2328249319 SLRDAOHAGCXSBU-RPBOFIJWSA-N 446.591 4.601 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc(F)c1 2330804534 NWBAWPUPIUINTL-UHFFFAOYSA-N 425.533 4.619 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)cc1 2330961401 MIDDZLZUGFFNHJ-HXUWFJFHSA-N 425.533 4.509 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(O)c1 2331048437 FZWZBUZUDWJZLQ-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccs2)o1 2331066023 FOELNMJEHKAGOW-UHFFFAOYSA-N 430.555 4.941 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)cc1OC 2331081229 LAIWATDBEISELV-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccc(F)c1 2331200551 LBIZDYDIVUUSMP-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(OC)cc1 2331592681 RUGTUOKTAHRRKG-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE C=CCC[C@H](C)N(C)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2374483464 UQSDXLDQEZBKPE-XPTSAGLGSA-N 425.186 4.859 30 10 IJEE Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2cc(=O)c3ccccc3o2)c1C#N 9390689 WTENBLDTYZCOHH-UHFFFAOYSA-N 444.468 4.606 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(Cl)c2)Nc2cccc(C)c2)c1C 32973268 OSWSUWNOSHECDN-UHFFFAOYSA-N 437.975 4.922 30 10 IJEE O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 33293678 QYXZDKYLVNSTIW-KGENOOAVSA-N 430.485 4.855 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)COc1cc(C)cc(C)c1 40844635 JJEAQQMMOHDLSS-UHFFFAOYSA-N 442.467 4.759 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)c1 41355677 CWTUBQZTAIMQQA-HAHDFKILSA-N 430.456 4.777 30 10 IJEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2F)CC1 41585420 WQSSHNPACYMPCE-IWIPYMOSSA-N 448.469 4.609 30 10 IJEE COc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1OC)C3 41645033 UFYKRBSVMRTRAI-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3cccc(Cl)c3Cl)cc2)s1 59460937 WNZLAJJKKVQYQR-KEBDBYFISA-N 441.365 4.959 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(OC(C)C)cc2)c(C(=O)OCC)c1C 96512870 PRTBVKZTVJNLQV-UHFFFAOYSA-N 431.510 4.616 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)o1 102430989 XWFXLLCVDOFSJT-VFJWVMJUSA-N 430.504 4.902 30 10 IJEE CCN/C(=N\c1ccc(F)cc1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 105535741 OMJNQAZBFLSFLO-MRXNPFEDSA-N 440.327 4.795 30 10 IJEE Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H](C#N)c3ccc(F)cc3F)cc12 111028921 BARNKHWPJZGADK-IBGZPJMESA-N 440.450 4.867 30 10 IJEE CCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC 169902724 BSRYBWMJYVONRD-LPYMAVHISA-N 445.368 4.883 30 10 IJEE CCCCCCOc1c(OC)cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 169908776 IKIKKLNBXPKJQI-JCMHNJIXSA-N 434.514 4.679 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(OC)c2)c1 169928548 YASDTQNRRGZPLJ-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc(Cl)c1O 169931596 ZMNQLPUFSNQKNZ-IBGZPJMESA-N 430.957 4.852 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 169957736 VZBUASBKAXQZPD-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)cc1 169994103 RLPJKZHDUDCVCU-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)s1 169994709 VUPDSZYGWHVADO-GOSISDBHSA-N 439.924 4.900 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2cccnc2)c1 170000524 HRZJOTNVXFLGFU-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(N(C)C)cc1 170129133 LEKGHCIPQNBELK-HSZRJFAPSA-N 436.552 4.776 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 170132788 GCXPQGHJTKDBFY-QHCPKHFHSA-N 429.472 4.962 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170178691 PPMCATGVGQMBHV-LJQANCHMSA-N 440.286 4.562 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1 170224547 AGSVBOZDPGILDV-JOCHJYFZSA-N 429.472 4.801 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1 170229705 XWERTFDMIWPGCM-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@H]3c3ccccc3C)oc12 170273868 BXLRWLFGGSIQPS-VGSWGCGISA-N 447.487 4.507 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccco1 170280818 BBRBUUFZTFIGEF-LJQANCHMSA-N 429.856 4.683 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)c1 170305423 OAVLAABPPUKKEU-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1sccc1C 170313180 CVTSZKCEYVHKAM-LJQANCHMSA-N 443.565 4.685 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1sccc1C 170315559 MZPJBZSZFOFIKV-HXUWFJFHSA-N 433.485 4.877 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccc(OCCC)c1 170323428 JTFLOZNMAGPHAS-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170368370 KCPIIZHYZUGBEV-OAQYLSRUSA-N 434.879 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(Cl)c1)c1ccccc1 170420565 PBLWNAGKISXWSP-NRFANRHFSA-N 437.854 4.963 30 10 IJEE C[C@@H]1CC[N@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 253685905 NHIMKJGHMGZYFT-UIIUTPAESA-N 434.624 4.692 30 10 IJEE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=NNc2cccc(C(F)(F)F)c2)cc1 254869168 AENRYIMACPAIIL-UHFFFAOYSA-N 438.409 4.933 30 10 IJEE C=CCN(C[C@H](NCCC)c1c(Br)cnn1C(C)C)C(=O)OC(C)(C)C 407181725 WDKSSXBODLBRAN-INIZCTEOSA-N 429.403 4.690 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 429891610 YVBYXCYWTSKOEU-UHFFFAOYSA-N 425.489 4.785 30 10 IJEE N#CC1CCC(CNC(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)CC1 441620880 AUMSRLITOLWHBR-UHFFFAOYSA-N 444.333 4.828 30 10 IJEE CN1CCC[C@@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccs1 478395436 SPQTXKDDKCSPMT-PXNSSMCTSA-N 435.515 4.501 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 505866524 RDZRKCDGOVPGTA-IBGZPJMESA-N 441.531 4.873 30 10 IJEE COc1cc(CN2CCC(C)(C#N)CC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 507721032 HDOXKYHNBCHNFA-UHFFFAOYSA-N 445.922 4.631 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCc3cc(F)c(OC)cc32)cc1OC 509423652 GIOISJFIQZAEAH-SFHVURJKSA-N 436.321 4.947 30 10 IJEE COc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(C#N)cc2)C1=O 526636150 IRKGTNVYISFYSG-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE C=CCN(C(=O)CN1CCC(=O)[C@@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 555055847 KHPXNLLSIXFRQD-ZDUSSCGKSA-N 438.380 4.547 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 555290906 YZIMDYNGDJBFCW-HXUWFJFHSA-N 437.613 4.797 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 559003452 BBIASVXMKQDBEQ-GDLZYMKVSA-N 432.659 4.582 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccsc2)C1 582594092 VMWJRHKVQWRXHY-LJQANCHMSA-N 430.961 4.726 30 10 IJEE COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc(C#N)cc2F)c1 609231105 LJLLFIWQUYXIKK-UHFFFAOYSA-N 440.478 4.548 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609686935 HIJJXIRFFMRKMM-SFHVURJKSA-N 448.445 4.590 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 619833780 RTPZKOZNIGYXJG-SFHVURJKSA-N 444.495 4.955 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 734216252 RSLCIUGBFMOGHF-OAQYLSRUSA-N 447.560 4.708 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)C(F)(F)F)c1 750199002 TXXJURHHYYEEEQ-CYBMUJFWSA-N 447.862 4.829 30 10 IJEE C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H](c2ccco2)C1 785107115 QFXMZBTUHXQYPD-LEOXJPRUSA-N 427.504 4.873 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 810251781 XGWJZHZJWQLYML-UHFFFAOYSA-N 431.514 4.856 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 1084188239 ACSXSHJTBKRGFH-JYUXKGLBSA-N 426.933 4.690 30 10 IJEE Cc1cccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3cc(Cl)c(O)c(Cl)c3)S2)c1 1084444623 YLGVKMVIPXJUMZ-OAHLLOKOSA-N 438.336 4.598 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1126062747 GKVUVKZBKKYUBD-OAQYLSRUSA-N 429.630 4.533 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1127328121 FJTBXGXAZYQYRZ-PZJWPPBQSA-N 430.470 4.878 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1128811522 ZWGAXTVBOOWUFK-QFIPXVFZSA-N 440.588 4.505 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Br)CC2)c(Cl)c1 1139401605 IFTPNORYTUACJA-UHFFFAOYSA-N 439.140 4.590 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccccc3)C2=O)nc2cc(Cl)ccc2c1=O 1164458638 CUUJPZKSWONJIO-LJQANCHMSA-N 425.941 4.524 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCC(F)(F)c1ccc(Br)cc1 1227880120 FSDDAAXCGNFZGH-UHFFFAOYSA-N 425.273 4.605 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 1264834318 YJTIVJAQTPNHAB-ABQONYIQSA-N 447.966 4.821 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 1265535820 CXDHOYQIEJOGQH-IBGZPJMESA-N 443.425 4.709 30 10 IJEE C#CCOc1ccc(CNC(=O)c2csc(-c3ccc(Br)s3)n2)cc1 1273118964 UZPIUVFAVKLYEU-UHFFFAOYSA-N 433.352 4.576 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1286337950 ZEFSIJXGFLWWLC-APWZRJJASA-N 438.373 4.832 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCc2sccc2C1 1286344723 CLLRAZBRIJRHCB-UHFFFAOYSA-N 427.371 4.745 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CCC)CCC1 1286364631 HIEBLCLJMHBZOY-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)N(C)C1CC1 1286437643 PNVWEVZXQFHGSV-OAHLLOKOSA-N 428.005 4.755 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 1286450303 DTCVWSPCAKBNLH-UHFFFAOYSA-N 447.583 4.554 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(=C)CC1 1286537605 AGFKICQSCWCJRF-UHFFFAOYSA-N 426.318 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](CC)C1 1286554201 SQJXHXRXDQGMON-PWHSHALESA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCCC 1286554317 XRDNVXABKWPCCI-IEBWSBKVSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCSC1(C)C 1286579928 ROQJFVQODZDOLG-MRXNPFEDSA-N 438.601 4.528 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2CN(CC)CC)CC1 1286663579 NRLBOXCWHBVPNP-DEOSSOPVSA-N 437.632 4.812 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](c1ccco1)N(CC)CC 1286720250 HGCPYZGPXJUVJH-NRFANRHFSA-N 430.556 4.792 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc2c(s1)C[C@H](C)CC2 1286720773 XARZACYTGUBILF-CQSZACIVSA-N 444.004 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CCC[C@H]1C 1286748201 SXDZQFJGUSAPAO-UZUQRXQVSA-N 426.561 4.889 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2c(F)cccc2OC(F)F)C1 1286807733 GDKAYOKFMIPCJQ-MRXNPFEDSA-N 436.478 4.506 30 10 IJEE CC(C)(O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(C#N)C1 1287095011 AWFKGASVDUCTHS-HSZRJFAPSA-N 427.618 4.567 30 10 IJEE C=CCN(Cc1cccs1)C(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 1290528746 CCEXICYTDPQAQX-PSCUFVCCSA-N 436.643 4.832 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1297149965 DKTRNWNZPHSWOR-RPBOFIJWSA-N 432.564 4.810 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C2CC2)CC1 1300564555 XWJQXRNGPBXRAR-UHFFFAOYSA-N 437.385 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCS1 1300789234 CNLGMOUSZHJKHW-GHTZIAJQSA-N 445.430 4.985 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1300876600 UMRCNTFQNAMMFL-PUHATCMVSA-N 442.579 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(Cl)c1C 1300921093 MNKZZNAGIFEWDD-UHFFFAOYSA-N 444.004 4.682 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(F)c(COC)c2)CC1 1301129214 NDKUDWYUZOFWSU-UHFFFAOYSA-N 426.561 4.667 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1301245933 KIQFZNLJIFHFIO-UXHICEINSA-N 445.007 4.834 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccnc1OCCCC 1301283307 VKFOQIDKINZRGR-UHFFFAOYSA-N 428.540 4.738 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccsc1 1301389852 CDBNLWSOFUTQES-UHFFFAOYSA-N 443.617 4.681 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC2CCCC2)C1 1301541913 GKCISPYNQHYGNH-IBGZPJMESA-N 448.970 4.868 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F 1301603666 DDJTWLNKJVWLMI-UHFFFAOYSA-N 433.503 4.915 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(C)C)C1 1301605918 CXXUTLDLIWWAPC-HXUWFJFHSA-N 436.629 4.922 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC[C@H](C)N2CCCCC2)o1 1304299655 GCANVLVXTGRTSW-IBGZPJMESA-N 432.572 4.619 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)Cc2ccccc2)c(C(F)(F)F)c1 1309105684 CCJTZEIYYULTOR-UHFFFAOYSA-N 444.478 4.709 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCc2c1ccc(F)c2Br)C(C)C 1311387747 HSZXBVLBWQOFAG-OALUTQOASA-N 438.385 4.573 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F 1312004266 YCDMJLUMKYOLIL-UHFFFAOYSA-N 429.250 4.606 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](COC)Cc1ccccc1 1312176277 QJJULOPQOBNXOO-LJQANCHMSA-N 435.337 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C 1312615694 IBFDHYRBLPQVIO-AXYAUJGNSA-N 428.573 4.733 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1314923145 BHVBKPWCUWBKDJ-YIXXDRMTSA-N 448.659 4.704 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1c1cccs1 1359058755 OTHIINZTPLVHPE-IBGZPJMESA-N 426.586 4.777 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(CC)CC)cc1 1359067403 MBPMQIGQWGDHDE-RUZDIDTESA-N 449.002 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H](C(CC)CC)N(C)C 1359071287 LDEAMTGRDJIDDX-RCZVLFRGSA-N 443.586 4.506 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 1359185492 YFSAPCBYDCHNHZ-UHFFFAOYSA-N 426.362 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359187978 CQSROZHRHKEYLR-UHFFFAOYSA-N 435.616 4.937 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359198398 PVALACXTSZAQQW-JTHBVZDNSA-N 438.616 4.951 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1359201555 RQTMZFWLLRXCMV-XUZZJYLKSA-N 447.631 4.524 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1359212236 FUCYLUHUSOWGRO-UHFFFAOYSA-N 440.592 4.532 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1359234419 OLIMUDGHBWYEJS-HKUYNNGSSA-N 433.394 4.781 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[C@H]1CCO[C@H](C)C1 1359235840 PDWFBNUNFBWGRZ-MOPGFXCFSA-N 428.577 4.568 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1)C(C)C 1436208336 XYDKJCMVSRXPKN-HSZRJFAPSA-N 438.531 4.792 30 10 IJEE C#C[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)c1ccc(Br)cc1 1436650440 BMUVHXQGNDXRQY-GOSISDBHSA-N 434.374 4.922 30 10 IJEE C#C[C@@H](NC(=O)c1sc(-c2c(C)noc2C)nc1C)c1ccc(Br)cc1 1436651678 RXUKCOQITYZGLN-OAHLLOKOSA-N 430.327 4.590 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](CC)Oc4c(Cl)cccc43)n[nH]2)c1C 1447629213 MGLGBDWUUXLAEI-OAHLLOKOSA-N 425.920 4.547 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NOC2CCCCC2)c1 1448117907 ZJLLVUKVHUWDEF-UHFFFAOYSA-N 448.972 4.715 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)NCc3c(F)cccc3OC(F)F)c2)cc1 1459751872 BWQLHWTYPQCLFR-UHFFFAOYSA-N 426.394 4.808 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 1459933206 YRMIIIYOFFCLDT-MMIRBSHRSA-N 438.955 4.616 30 10 IJEE C#CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 1463009075 OHICUUZJXHKRGL-LJQANCHMSA-N 432.398 4.689 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1464652447 UWMOBTPAKGQKLL-UHFFFAOYSA-N 448.588 4.975 30 10 IJEE C=C[C@H](CC(=O)N1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1)c1ccccc1 1469843079 DAOONXAZFFQUBO-YPIGPJMWSA-N 442.600 4.657 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(Cl)cc1 1470663635 VDXVNBRVSCSBOY-AZUAARDMSA-N 425.964 4.769 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)CC(=O)OC(C)(C)C 1473620611 NDTCUQTUTKUMAP-UHFFFAOYSA-N 444.984 4.707 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1 1475974010 QZUUENUCRAPGFU-HSZRJFAPSA-N 441.597 4.936 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2C(C)C)cc1 1475974515 YIQUZCJXGTVOMO-JTHBVZDNSA-N 441.597 4.574 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 1476551913 ISJVZQAOSNWSJE-AWEZNQCLSA-N 432.471 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCN(C(C)C)C1 1507521710 BFSHSONKYFSUSR-WOJBJXKFSA-N 439.673 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(SC)CC1 1507764247 KRNODJUDDKLMSI-WZONZLPQSA-N 440.613 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CC=CCO1 1507770585 VHWZILFSMOWLJS-HFZDXXHNSA-N 434.584 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCc1ccc(OC)cc1 1507800052 UAAGJDNDFSSJBV-QPPBQGQZSA-N 440.632 4.926 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1507811396 QQPOUPOEXGZRTL-GBXCKJPGSA-N 442.579 4.850 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OC(C)C)CC1 1507856448 HIPUJIOAWOQHIL-UHFFFAOYSA-N 426.895 4.693 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1507918536 DOYMJTLKPZVDLN-JOCHJYFZSA-N 448.036 4.528 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1)c1ccccc1 1507930398 WQYKJRQNEIYJBQ-NRFANRHFSA-N 447.583 4.501 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1507940918 HLQKVHPBEGFSHC-UYAOXDASSA-N 429.996 4.540 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCCOC)C1 1507944166 NLPQRDWWZMLDQW-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CCCCC1)N(C)C)C1CC1 1507995706 MJWFOPCVFWGWCO-DNVJHFABSA-N 443.680 4.862 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC 1508035617 BDPKFVOPIUSGRC-FQEVSTJZSA-N 443.592 4.978 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1513130341 AOEWNYMPQJWOMW-QGZVFWFLSA-N 438.963 4.817 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)CCCN1C(=O)OC(C)(C)C 1520259547 CYYDMNAPMHEQKG-RUZDIDTESA-N 436.556 4.529 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1ccc(Cl)cc1-n1cncn1 1524860548 WCCAEKNFICZGIZ-UHFFFAOYSA-N 437.805 4.861 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)cc1OC 1526375723 XKMOGBNOBRHBDU-XSSIKURBSA-N 431.573 4.926 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)CCCN1C(=O)OC(C)(C)C 1527308015 LXXHFKBJPFAUPR-QHCPKHFHSA-N 442.947 4.566 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCN(Cc2ccccc2)C1 1527806628 DPVQMTVVVNMWDA-SFHVURJKSA-N 431.349 4.625 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1 1529137322 TWRSVXNTYSUQPT-OKZBNKHCSA-N 447.000 4.838 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)/C=C/c2ccc(I)o2)c1 1529648240 XCLWZMAUXOJGQW-PKNBQFBNSA-N 443.240 4.705 30 10 IJEE N#Cc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 1530533509 CPAQZUYNXWKZDK-UHFFFAOYSA-N 439.496 4.930 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 1530672238 ADQIWIFLESVPET-FOIQADDNSA-N 445.441 4.928 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1ccccc1 1534343884 IVZXLOHNHAAIQH-REHUZNOOSA-N 440.609 4.791 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1534606524 DZPVAJNZXGYXMV-OAQYLSRUSA-N 427.372 4.998 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)s1 1538879215 ZTRLHWAENHOAOH-FQEVSTJZSA-N 445.592 4.850 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC)CCCC1 1539384148 XZIHFVJKJADDGI-IBGZPJMESA-N 429.609 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H](C)CCC 1539620094 JDITXAYVHQUPKE-SVMVAKDDSA-N 428.577 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1C(F)(F)C12CCC2 1539659047 HHICALBWRTWXMV-LJQANCHMSA-N 432.515 4.800 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1539946448 BLDPBNBVVQKVEZ-DCDYHQBJSA-N 438.616 4.772 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(CC)C1CCCCC1)c1ccccc1 1539947321 IQQNRIHCSZLVMZ-QFIPXVFZSA-N 435.616 4.919 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H]2C[C@H]2C2CCCC2)nnc1-c1ccc(Cl)cc1 1540075762 YFJCLJQGIWDQGS-MJGOQNOKSA-N 431.005 4.819 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCC1CCC(OC)CC1 1540153427 DHYSLFXKCWQYNW-UHFFFAOYSA-N 448.409 4.809 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC)C1 1540885800 PEJXHYIUWCSRDD-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@@H]1C 1540909978 TXYZRQKHRDUJHW-UXHICEINSA-N 444.645 4.958 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1541512930 AZAKQAVCKLFFGY-VQTJNVASSA-N 434.588 4.865 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1543416518 MMXRNXNUYQXGEK-UHFFFAOYSA-N 442.581 4.705 30 10 IJEE C#C[C@H](C)NC(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1562547531 GMWZFXJTOHPZPN-AWEZNQCLSA-N 427.302 4.655 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](CC)Oc2c(Cl)cccc21 1567514757 JULMAOBTNFDVLD-HIFRSBDPSA-N 429.344 4.880 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 1583366052 JDOXUZNHUJVEBS-LJQANCHMSA-N 436.980 4.709 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1N1CCCCC1 1584373797 KEXSWNDBUDEELL-KRWDZBQOSA-N 425.932 4.790 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1F 1584727189 FECZFPXCKBRGKE-FQEVSTJZSA-N 428.891 4.834 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)CCCc3cccc(C(F)(F)F)c3)CC2)c1 1585090399 BCXRSHAQYZJSKI-UHFFFAOYSA-N 429.486 4.681 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(Br)cc(Br)c1 1587189374 QJMUMZMIBLSLLZ-UHFFFAOYSA-N 427.067 4.615 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)C[C@@H]1C 1587944695 RWSFDZMGXJTIDT-HKUYNNGSSA-N 432.486 4.768 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)C1 1587996969 BCRCUMRSILGGEK-KRWDZBQOSA-N 427.342 4.669 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(C)CCOCC1 1588205358 JKCYQHDOEPBUGP-UHFFFAOYSA-N 448.611 4.650 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCOC1CCCCC1 1588297856 KBCNLVROOGUGCY-UHFFFAOYSA-N 445.405 4.907 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCN1CC 1588444991 BYJSIYGZCMELLE-QFIPXVFZSA-N 437.632 4.623 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1589515239 MIXKDNGKKQXVRV-JQVVWYNYSA-N 442.579 4.849 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1593684363 VSNULBVURMLJMP-OTWHNJEPSA-N 447.624 4.566 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H](C)C1 1593711996 OGKLZPBQNRBMDK-LSDHHAIUSA-N 439.423 4.844 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cc(C)on1 1594484024 MEHBWPPGLDAGHL-UHFFFAOYSA-N 431.544 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1594504585 XUCRUHGQJCJCBE-RXVVDRJESA-N 437.613 4.894 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1594559175 GPPNQTIPDRVCMC-WMZHIEFXSA-N 445.995 4.514 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1595127402 OBBCGYCSKXFCSS-KBMIEXCESA-N 425.596 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1595223686 YKEUPZXUTDDHEW-HXUWFJFHSA-N 439.604 4.611 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)s1 1597619805 QOZBHIIIMBHCBF-UHFFFAOYSA-N 434.326 4.745 30 10 IJEE C=CCn1c(S[C@H]([C@@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CC[C@H](C)C3 1613104930 VGQZLONPHTUKKU-HWWQOWPSSA-N 444.544 4.828 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N1CCCC1 1614746162 DOHIJMBLOVFKGV-JOCHJYFZSA-N 432.572 4.873 30 10 IJEE C=C(Cl)C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)C(=O)OCC 1621479090 SNQLRPFNRNLNCF-HSALFYBXSA-N 436.980 4.791 30 10 IJEE CCOC(=O)C[C@@](C)(NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)C 1622896349 CJPFGRRRFDXUJD-RUZDIDTESA-N 437.540 4.821 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2ccc(SC(C)(C)C)c(F)c2)C1 1625154753 FXKFTFXTMZYEOS-XJKSGUPXSA-N 436.553 4.597 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1625181418 XWMHFHWJTKTVSJ-NRFANRHFSA-N 442.478 4.889 30 10 IJEE C#CCN(C(=O)Nc1cccc2c1OC(C)(C)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 1626526317 ZBNCVEPQEUIFLO-UHFFFAOYSA-N 441.572 4.657 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(Br)c(F)cc3C2)cc1OC 1627103667 PAPBPBBMLVDKTA-ALCCZGGFSA-N 446.316 4.760 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1631154645 LQJJEMNAVXCRCX-UXHICEINSA-N 431.458 4.817 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)OC 1634884038 GNJSNXSAXULILL-JOCHJYFZSA-N 437.927 4.820 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1639869504 NJEYIDUTTCYHMA-RTWAWAEBSA-N 444.575 4.813 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)C1 1643531883 CWGOWRVETCXHIU-HNNXBMFYSA-N 448.382 4.974 30 10 IJEE CCOC(=O)c1c(NC(=O)CSc2cc(C#N)ccn2)sc(C)c1C[C@@H](C)CC 1643640444 GLJONGFMNMLRID-ZDUSSCGKSA-N 431.583 4.819 30 10 IJEE C=CC[C@]1(C(=O)N(C[C@@H]2CCCc3ccccc32)OC)CCCN1C(=O)OC(C)(C)C 1645896952 UWHRYRPTXCLLPA-NBGIEHNGSA-N 428.573 4.842 30 10 IJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c1 1665184484 PNWAAIKKVGTRCW-LJQANCHMSA-N 428.330 4.718 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1667704540 BREFQFCPDZNPGY-INIZCTEOSA-N 448.445 4.899 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 1672708787 SDIGDFUEWMFNGA-QGZVFWFLSA-N 439.737 4.865 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCNC(=O)c1occc1C)c1ccc(C(F)(F)F)cc1 1679304699 IVTWVBMFVIGKDQ-GOSISDBHSA-N 437.462 4.733 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(c2ccc(Br)s2)CCC1 1681028293 ANVLYTDZFNNBHX-UHFFFAOYSA-N 435.362 4.916 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(Cl)cc(I)c1 1683509510 ZRVJLVBWRFYOKU-CJNGLKHVSA-N 432.733 4.879 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCCC[C@H]3c3ccccc3)CC2)c1 1686473254 FYHJGEBDHRGMMG-ZCYQVOJMSA-N 444.579 4.892 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccccc1 1686920399 XCKSLBGIUMCZAT-NZQKXSOJSA-N 439.600 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1689858383 LEHFJPQINZPCDK-SFHVURJKSA-N 433.531 4.843 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1689900380 FYDSAGONPGEILS-AZGAKELHSA-N 447.671 4.958 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC(C)CC1 1690240041 AQFKSOJRGJCKDK-SFSSAEOISA-N 429.996 4.990 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2CCC[C@@H]21 1690304978 UAVUGEHDNWHDMZ-GJZGRUSLSA-N 437.407 4.741 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1690382634 XCIPBOPHLMGEEE-JOCHJYFZSA-N 425.621 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C[C@H]2CN(CC)c3ccccc3O2)nnc1C(C)(C)C 1690440109 YLGDHLAHNVSOCC-IBGZPJMESA-N 425.621 4.902 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 1690441571 BBPUBDZWXAAJAC-OFNKIYASSA-N 433.604 4.660 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@H]1CCOC1 1690611098 AHZINNBDFQPORW-INIZCTEOSA-N 447.004 4.879 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCSC2)C1 1690686529 PROLPLHNBQWXJY-MBOZVWFJSA-N 449.020 4.606 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCCS2)C1 1690711716 HBFGCBLUCJGCLL-RTWAWAEBSA-N 442.629 4.541 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(CC)s2)CC1 1695372137 DGDNTCVBQSBJHV-UHFFFAOYSA-N 448.640 4.800 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1csc(CC)n1 1705477808 SCJAOXVMSPXJJV-JKSUJKDBSA-N 444.004 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@H](c1c(F)cccc1F)N(C)C 1705719019 IGDDKMNBHUQPBY-OAQYLSRUSA-N 431.575 4.994 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cnccc2OC)CC1 1705765760 ZNZUMMCJDZLZMG-UHFFFAOYSA-N 430.339 4.860 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1705783241 YHWICUATHSTQQG-RXFWQSSRSA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705785969 CEUKXWIAACWPMY-UHFFFAOYSA-N 444.023 4.896 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705792445 UAVAYCHJGYMDSW-NHCUHLMSSA-N 440.588 4.644 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N(CC)Cc1nc(O)c2sccc2n1)c1ccccc1 1705795789 RCBAKIMAIJUGBX-GOSISDBHSA-N 434.569 4.683 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1705797162 QUWSNBNVQGKONX-QTJGBDASSA-N 438.616 4.785 30 10 IJEE C=CC[C@@H](Cn1c(N(C)CC2COC(C)(C)OC2)nnc1C(C)(C)C)c1ccccc1 1705798159 LNBJHHGFEDPOND-NRFANRHFSA-N 426.605 4.771 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2C)n1Cc1nnc2n1CCCCC2 1705799151 NWYYYUVFNLRKDA-UHFFFAOYSA-N 433.604 4.802 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1705801980 XUKWGWCDVBZSSV-IBGZPJMESA-N 433.556 4.547 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1ccccc1C 1705812647 HUUIWNNCGPHBHP-UHFFFAOYSA-N 444.377 4.826 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705815989 QPDDMTOBEKATDU-FQEVSTJZSA-N 426.458 4.580 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1705820488 OEWVEERDLMTQOU-GCJKJVERSA-N 438.597 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@](=O)C(C)(C)C 1705835332 HJBMJTYRZSKXNZ-NDEPHWFRSA-N 437.034 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(SC)CCC1 1705838077 BDEMOWZDDJWWLU-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1c(C)noc1C)C1CC1 1705851493 IUNLQBLWLOTDBP-LBPRGKRZSA-N 445.365 4.599 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1nccn1C(F)F 1705870522 KIOIENMYMLLXOW-UHFFFAOYSA-N 449.303 4.526 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 1705916890 SFSUYBRAWLYNTI-YOEHRIQHSA-N 449.386 4.576 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1705948552 XBQGXLLQLFHZQV-IBGZPJMESA-N 444.649 4.820 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2CCCCO2)CCS1 1706344567 BFJYXJYDAMUKKL-FCHUYYIVSA-N 439.629 4.744 30 10 IJEE CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1708794083 HXXOXDBQNNQXND-KNQAVFIVSA-N 441.551 4.646 30 10 IJEE COc1ccc(Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)CC#N)cc1Br 1711851457 ADHVIGCEWGFQOY-HNNXBMFYSA-N 446.393 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCCC[C@H]1C 1722283052 QDUAJADHTOJFGR-RBUKOAKNSA-N 444.023 4.720 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1722327670 MYEDZZVOXZKTRA-WIYYLYMNSA-N 430.980 4.736 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722328843 ZEYWVOYIQPKHJT-GCJKJVERSA-N 442.991 4.880 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722398597 DNZSMWMOFAWPJS-NHCUHLMSSA-N 428.502 4.820 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1CC 1722454651 NYVVUSBIMAMDJD-OAHLLOKOSA-N 437.382 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)c1cccc(C)c1 1722501044 LHUFQAGYOCACEC-OFVILXPXSA-N 426.605 4.833 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC=C(C)C1 1722527810 BXZZDXZCPQHTIJ-UHFFFAOYSA-N 431.378 4.765 30 10 IJEE C=C(C)Cn1c(N(Cc2cccs2)Cc2cccs2)nnc1[C@@]1(OCC)CCOC1 1722554181 YKWAZHSIRHBPJA-JOCHJYFZSA-N 444.626 4.836 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1722556709 DSQOJBRWJAFFOS-KRWDZBQOSA-N 448.017 4.666 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722609793 FTWQSIJGSDQYCC-IFMALSPDSA-N 434.588 4.937 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1722621062 NAFNERVOAKELKC-LJQANCHMSA-N 430.980 4.730 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCC)C1 1722625029 JPKGFRUBQSZWRC-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(CCOC)Cc1ccc(C)o1 1722683995 LCRUEOWLWNNKGA-UHFFFAOYSA-N 445.361 4.756 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1 1722685561 GCALCCRWPISPJP-ICSRJNTNSA-N 425.577 4.776 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(C)(C)C)C1 1722739035 CXTWGMXRDMRPEV-SFHVURJKSA-N 430.618 4.657 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H](C)CC#N)s1 1724359004 CDOOMVNJLYSFGD-ZDUSSCGKSA-N 430.375 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccs1 1740537779 YWJPGMGUEQYADA-ZDUSSCGKSA-N 432.391 4.533 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(CC)s1 1740602851 XOPNQONUFYPUFK-UHFFFAOYSA-N 433.350 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740750255 AJNBTODCOREWMO-NSHGMRRFSA-N 429.634 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN1CC 1740767034 OISGBQXUMCLNNC-ICSRJNTNSA-N 432.012 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCc2nccn2C1 1740767716 YXEKGSXHRKSZDJ-VXKWHMMOSA-N 448.615 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)OC)CC1 1740851974 GLTMEKCGGUMKGA-UHFFFAOYSA-N 442.629 4.871 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 1740853850 BABNDUDAQKQYAL-NFBKMPQASA-N 431.584 4.628 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1740856762 WQVRWUYNFKMNSW-OAQYLSRUSA-N 449.565 4.911 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(OC2CCCC2)CC1 1740999296 DAASXTBMLNZXAH-UHFFFAOYSA-N 442.629 4.801 30 10 IJEE CC(C)SCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C#N)CC1 1741766605 FTZWGSOOINJCJG-UHFFFAOYSA-N 434.407 4.589 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1Br 1748738830 QCHUAFRBFFGHNW-UHFFFAOYSA-N 444.764 4.806 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Cc1ccc(OC)cc1 1748938909 IPVYGHWAXPMDTD-WWPVKYPJSA-N 438.616 4.544 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1749023197 QANDKVOTXDDDFA-ZWKOTPCHSA-N 448.633 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC1(C)C 1749056864 WCJMPYDWDKHLSY-SPLOXXLWSA-N 431.353 4.885 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1749095726 AMDUOBJVYWRMRU-HKUYNNGSSA-N 438.373 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCCCC1 1749120587 GITKFTLWZAUUML-BEFAXECRSA-N 448.409 4.786 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)CN2CCCCC2)CC1 1749345529 LKFFTIRZWAJLRR-QHCPKHFHSA-N 435.660 4.978 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1Cc1ccsc1 1749552544 FJWZQYPTFLSXOS-UHFFFAOYSA-N 427.624 4.998 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2COc3ccccc3O2)n1CC(F)(F)F 1749554203 QWRYAVFIHIUOHQ-QGZVFWFLSA-N 436.459 4.607 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cccc2c1OCCCO2 1749586483 XCSDSGFCJBDSEB-UHFFFAOYSA-N 436.556 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)[C@@H](C)CC 1760099783 LRNWIXHBUUERDL-PMACEKPBSA-N 432.616 4.541 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1760137490 SEGWPIDWFUMCMA-IBGZPJMESA-N 435.572 4.893 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760161405 JCTCXIUOLSBHIZ-PZJWPPBQSA-N 443.636 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCC1 1760294111 NNWIRNYFPYDNPT-NBGIEHNGSA-N 441.620 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)Oc1cccc(F)c1 1760294222 RARGMMQSHFUWAO-ZCVJKFOLSA-N 426.536 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(NC(=O)C2CCC2)c1 1760333601 BFECXKBEFGPBFB-UHFFFAOYSA-N 444.583 4.838 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C)(C#N)CC1 1760352477 XVWBOHMJZXMOQK-SFHVURJKSA-N 439.629 4.854 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](OCCOCC)C1 1760369640 QIVYHPSCMKUMBF-HNNXBMFYSA-N 445.778 4.636 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCC[C@@H]2CC)CC1 1760394099 XCWMZQKUCSBFJH-BHDDXSALSA-N 429.653 4.618 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(C)C)C1 1760446320 NVZPOVHOGFJUQM-HXUWFJFHSA-N 444.645 4.729 30 10 IJEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(F)(F)F)C1 1760452874 TXXPPFAKJWYXAS-IBGZPJMESA-N 447.505 4.653 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC=CCC1)C(C)C 1760490394 WMNZSXIHLWWRFV-VWLOTQADSA-N 444.627 4.902 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCC[C@H]1C 1760491876 XNMDTSLFJAQHNI-VFNWGFHPSA-N 449.368 4.576 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCOC[C@@H](C3CCC3)C2)cc1 1760529406 FSVAZKZAHZKTMG-QFIPXVFZSA-N 438.616 4.733 30 10 IJEE COc1ccccc1[C@@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)OC(C)C 1768855735 CKIURPVFPDVPIU-BWKNWUBXSA-N 439.604 4.881 30 10 IJEE Cc1c(N=Nc2ccccc2C(=O)c2ccccc2)c(O)n(Cc2cccnc2)c(=O)c1C#N 1772741419 MCCRTKZRLOLDFZ-UHFFFAOYSA-N 449.470 4.824 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1F 1862430651 OSTNULCZDZGJIE-HXUWFJFHSA-N 431.891 4.873 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862498837 RVDCBQWTVHXJEQ-HXUWFJFHSA-N 447.362 4.750 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862533742 KXXLKNCIZFMVNV-DEOSSOPVSA-N 445.563 4.650 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(F)cc2F)cc1 1862535348 YHGDMBRMTAEQRP-OAQYLSRUSA-N 429.463 4.531 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)c1 1862560483 IQOUVXCVDWRIIB-QFIPXVFZSA-N 432.907 4.743 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(C)cc2)cc1 1862589916 WXXCEDMESOFHFS-DEOSSOPVSA-N 427.500 4.830 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862759743 XQASCHNYIRVSED-VFNWGFHPSA-N 438.480 4.760 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863105766 FGYCSQYSUUNLFR-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2cccs2)C(=O)N(c2ccccc2C#N)C1=O 1863119686 AKAFZVAPQYGCBE-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 1863635951 MVPBGIWEPNTXHZ-UHFFFAOYSA-N 431.363 4.818 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(OC)cc2OC)C1=O 1863752730 UPTXZUQAWIQNCS-UHFFFAOYSA-N 440.540 4.527 30 10 IJEE Cc1c(Cl)cccc1NC(=O)c1ccc(OC2CN(C(=O)c3cccc(C#N)c3)C2)cc1 1869904924 GULALTBSLVDMDU-UHFFFAOYSA-N 445.906 4.676 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 1870145339 WILQIOVSKCJHQA-GOSISDBHSA-N 446.555 4.515 30 10 IJEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1870149599 YXSRUUANGGESEC-UHFFFAOYSA-N 443.282 4.568 30 10 IJEE C=CCOc1cn(Cc2ccccn2)c(CSc2nc3ccccc3n2CCC)cc1=O 1870246074 QFNBZAGZUWWSPG-UHFFFAOYSA-N 446.576 4.908 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1CCCCCC1 1870448979 SDNBOKMUQNBSFH-UHFFFAOYSA-N 434.621 4.917 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1ccc(C)cc1 1871189254 OPSVKCIKWLEPDA-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H]2CCCO2)cc1F 1871252088 KBHYNBGEDFWMQE-HSZRJFAPSA-N 447.510 4.538 30 10 IJEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3cnc[nH]3)CO4)C2=O)cc1 1871347273 LHSPICPUPZRLJE-FMCGGJTJSA-N 429.520 4.718 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871371233 LKYSEDQKTSJWRC-UUYOSTAYSA-N 431.400 4.504 30 10 IJEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(OC)c1OC)C2=O 1871394415 WQGIIXXQQQCEHQ-STZFKDTASA-N 425.525 4.956 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871434943 WJJHUEGVNDVUBU-BDBXIWDTSA-N 425.437 4.630 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871459496 XLTSEKODNLMWHT-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871861155 CLXSKEMBFMXTTA-QFIPXVFZSA-N 448.560 4.599 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(OC)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872329581 CEQQEVJWUSSHNI-CVDCTZTESA-N 444.597 4.624 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1872368222 CDTVWUJYEGLUKN-IBGZPJMESA-N 442.915 4.602 30 10 IJEE C=CCN(CC=C)Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1 1872874944 RYUFHPOXFOSBQX-UHFFFAOYSA-N 432.305 4.718 30 10 IJEE Cc1ccc(CN=c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(C#N)cc3)[nH]2)cc1 1873477684 UTAFYDWQSSRJIB-UHFFFAOYSA-N 431.503 4.773 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc2n1CC 1873570672 DBLCHZOIGOBEFR-PMACEKPBSA-N 443.636 4.935 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)[C@H](C)CC 1873935734 XONRWOVKWQIOPN-XXBNENTESA-N 444.620 4.826 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874212886 KGGNFNZSYHEWCJ-HYARGMPZSA-N 445.932 4.846 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1cccs1)Nc1nccs1 1874407294 PKGFVOJOOOVOQT-CIAFOILYSA-N 446.627 4.532 30 10 IJEE CCCNC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874421236 BGKFJFUIFNCCSN-ZVHZXABRSA-N 441.626 4.805 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874427936 IYSUJSRRVLNMMQ-SRZZPIQSSA-N 429.343 4.964 30 10 IJEE COCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874505171 DNGKZBUHPSBULI-GZIVZEMBSA-N 441.315 4.751 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1c[nH]c2ccccc12 1874507381 ZYBHUDYWOZLDGH-VULFUBBASA-N 446.580 4.942 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1C 1874608128 XUHLRSZQJXULDB-FMIVXFBMSA-N 445.515 4.604 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CCC2 1880067675 YVMLVQBQGBGQTK-XMMPIXPASA-N 427.545 4.859 30 10 IJEE CN(c1ccnc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 1890867112 VJPSUNPEVOCPKC-UHFFFAOYSA-N 449.370 4.999 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C 1949524702 LMSFFKMVERVROD-VXKWHMMOSA-N 434.621 4.836 30 10 IJEE N#Cc1ccc(CC[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1951513138 HGSYCEZMHBTRLF-HXUWFJFHSA-N 440.499 4.730 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)NCC 2012863562 SIILHYYRZJHBAO-FGZHOGPDSA-N 432.605 4.542 30 10 IJEE O=C(O)c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079143251 GJOOXCPPUFHFHF-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE Cc1cc(C#N)c(Nc2cc(Br)c(Br)c(Br)c2)nn1 2114784858 MWXASUDLMCKMEU-UHFFFAOYSA-N 446.928 4.688 30 10 IJEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 2118191403 FBDGHJWFASPRRF-STQMWFEESA-N 426.330 4.589 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2118191455 FOEXZCPNTNHDRI-KBPBESRZSA-N 426.330 4.732 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2118191456 FOEXZCPNTNHDRI-KGLIPLIRSA-N 426.330 4.732 30 10 IJEE C[C@H]1CCN(c2cc(Br)cc(F)c2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2118201871 VMFLEFWBPADZNN-GXTWGEPZSA-N 426.330 4.589 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2235749175 HOZOXBYDJGXNSI-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CC1CCC(C#N)(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243911651 UYPNNDVEZPEBFR-UHFFFAOYSA-N 445.563 4.894 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CC3)cc2Cl)OC1(C)C 2247898670 GTZGXKFMHZTVLV-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2251406947 KBXCGZDWMKJEKX-ZEQKJWHPSA-N 426.601 4.612 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268713424 XQNYAASFXFWTTA-IBGZPJMESA-N 442.365 4.792 30 10 IJEE C#C[C@]1(Oc2nc3ccc(Br)cc3s2)CCCN(C(=O)OC(C)(C)C)C1 2278964422 HJIMZLUFCDPWGZ-IBGZPJMESA-N 437.359 4.841 30 10 IJEE CC1(C)C[C@@](C#Cc2ccccc2Br)(OCCN)[C@@H]1OCc1ccccc1 2292593975 TTYDCCQWXRVSHJ-FYYLOGMGSA-N 428.370 4.530 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(O)C#Cc1cccc(Br)c1 2296220023 UIBQLDRMFSKPAV-IXZPJTSHSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2cccc(Br)c2)CCC12CCC2 2296224928 PGLLNPKSRRSBDX-HKUYNNGSSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2296270376 ZBHRZXRLUPYOJQ-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2296285115 YONLLWWEZJSGFN-PMACEKPBSA-N 437.422 4.966 30 10 IJEE Cc1ccc(CNC=C2C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 2297378350 DVSBTFIHNVMIKN-UHFFFAOYSA-N 438.574 4.529 30 10 IJEE c1ccc(CN2Cc3cc4cc5c(cc4nc3SC2=NC[C@H]2CCCO2)OCO5)cc1 2297706557 LRJZXFGFHYSUOB-LJQANCHMSA-N 433.533 4.606 30 10 IJEE COc1c2c(cc3c1[C@@H](CC(=O)C=C[C@H]1C(C)=CCCC1(C)C)[N+](C)(C)CC3)OCO2 2297748540 NLHLDHDELFUZNZ-LEWJYISDSA-N 426.577 4.995 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2Cc2ccccc2F)c1OCc1ccccc1 2321981733 AAQDUOFJCJNGLV-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2OC)C4)c1 2321993676 XGWFPHPCDYWSKF-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCN(CC)c1ccc(C=NNc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1 2322607183 CWKFSVVRMAQZSI-UHFFFAOYSA-N 430.339 4.832 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccccn1)C2=O 2323702009 XLXDKUFPQBNWMG-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2323854491 JSGJLYIYNGAUIC-UHFFFAOYSA-N 443.411 4.995 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OC)c(Br)c2)cc1 2323921821 QGMSKDXIAVCNOP-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE COc1ccc(C=C2Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1OC 2324054972 VNKVBGILDBCUIP-IYBDPMFKSA-N 437.536 4.812 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)N(CC)CC 2324306799 WPSMOIUJKFYCFT-UHFFFAOYSA-N 439.552 4.854 30 10 IJEE CCCOc1cccc(C=CC(=O)C(=O)Nc2ccc(I)cc2C)c1 2325669207 SUKJVPDNFZPTJZ-UHFFFAOYSA-N 449.288 4.609 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccccc1OC 2325744946 QUJXPHKUHVRMMO-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(OC)c1Cl 2326269194 DLICAPQHIHRJNY-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc([N+](=O)[O-])cc1 2326900932 HXPVWUHAEXEXTJ-UHFFFAOYSA-N 425.558 4.939 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(OC)c1O 2327298478 UNBFUWVALVVJBP-UHFFFAOYSA-N 438.553 4.657 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OC)cc1OC 2327674477 VZZOJSDDZYZVMP-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE CCc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCCO)cc1 2327785507 NFUSYCYYWMSXIJ-UHFFFAOYSA-N 430.577 4.941 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccco1 2330246561 DBOJLRVMOLVMSB-UHFFFAOYSA-N 437.569 4.915 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccc[nH]2)c(C)c1 2330616560 OQUCGMRIIJCAPC-UHFFFAOYSA-N 436.566 4.565 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2[C@H]2CCCO2)cc1 2330919205 BUXVOJUMXXUWNK-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331030564 HUVOQVLVRJWLDV-UHFFFAOYSA-N 438.417 4.988 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccccc1F 2331183719 CIOXNZFXQYCYLX-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cnccn1 2331256192 ZPFRBYJXTOUGIS-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(C(F)(F)F)cc1 2331346975 UTUNWTVYLARKMA-UHFFFAOYSA-N 442.507 4.813 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccs2)cc1C 2331364637 MFBLJMJAFSCCMT-UHFFFAOYSA-N 427.599 4.867 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2C)o1 2331393758 NOLSGJMGDBPACS-UHFFFAOYSA-N 426.542 4.828 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CCC2)ccc1O 2331527725 ULDBYRMVPRSMQB-UHFFFAOYSA-N 443.916 4.987 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331668618 DXTOSIMRDFANOQ-UHFFFAOYSA-N 428.389 4.551 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)c1OC(=O)C1CC1 2331885467 OMTNNOVDYHVIRC-UHFFFAOYSA-N 446.883 4.586 30 10 IJEE COc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1 2332187607 UXNKHXCCJPRHKX-UHFFFAOYSA-N 437.459 4.592 30 10 IJEE CC[C@H](NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338520048 VBHZFRSHGAGSFG-DHLKQENFSA-N 434.433 4.549 30 10 IJEE CC1(C)C[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@H]1OCc1ccccc1 2339307330 CKBMQGOSUIBMKO-DHIUTWEWSA-N 432.373 4.653 30 10 IJEE CC(C)(C)OC(=O)N1CCC(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339601663 ZLASOFBVBMMHET-UHFFFAOYSA-N 444.381 4.752 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681422 ZULVMTXXGIEDME-ADXHGGABSA-N 447.428 4.768 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(N)C#Cc1ccccc1Br 2380858741 CONHREFZDYTKNL-DEVSCXNHSA-N 433.390 4.602 30 10 IJEE CCCCCCSc1nc2n(n1)[C@@H](c1cccc(OC)c1OC)C1=C(CCCC1=O)N2 9597339 HNVABUFFDIAJPQ-FQEVSTJZSA-N 442.585 4.990 30 10 IJEE C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 21725991 OITFJCVFCASPNK-MRXNPFEDSA-N 446.532 4.838 30 10 IJEE C=CCN(C(=O)c1ccc(Cl)cc1)[C@H](C)C(=O)c1c(C)c(C(=O)OCC)n(CC)c1C 36005014 CRGBJKQLYVBPEY-QGZVFWFLSA-N 444.959 4.855 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1cccc(Br)c1 38704727 YHRPPYGWVAGEJZ-OAQYLSRUSA-N 438.325 4.893 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCC)c1 40099165 TZXWNKDKNXJVFQ-IBGZPJMESA-N 426.538 4.703 30 10 IJEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CC(=O)N([C@H](C)CC)[C@H](C)CC 40219882 ZJXWNVXDZZYZGS-NHCUHLMSSA-N 440.632 4.867 30 10 IJEE C=CCC1(CC=C)C(=O)N(C(=O)OC(C)(C)C)CC12CCN(C(=O)OC(C)(C)C)CC2 91368966 JXVRLBYHNMWBRB-UHFFFAOYSA-N 434.577 4.920 30 10 IJEE O=C1/C(=C/c2ccccc2Cl)N=C(c2ccccc2)N1/N=C/c1ccc([N+](=O)[O-])cc1 95776769 GHFJFOAFHYYAAY-JPCQLYNOSA-N 430.851 4.912 30 10 IJEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 109889208 APZRLYZEMWFNOK-GOSISDBHSA-N 437.521 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169988239 PMIQNHZTVGBFFA-SFHVURJKSA-N 442.399 4.717 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1ccccc1 170048163 LSLOERCBTQFNFQ-QHCPKHFHSA-N 446.478 4.683 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c(C)c1 170131529 YKSNDRYSYHVLOI-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(O)cc1 170137472 IHGIZRLBALRXMH-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccs2)cc1 170157865 CDKBMCHZCSMRIG-KRWDZBQOSA-N 426.519 4.613 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 170166960 KLHJQHPXCBKLOZ-IBGZPJMESA-N 438.436 4.574 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C(C)C)cc1 170244564 KWKWNKQUHTXSIS-QFIPXVFZSA-N 449.503 4.790 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1F 170249689 MUFJVNILONRUKK-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(O)c1 170264011 BIBRZCNGUPZRKQ-DEOSSOPVSA-N 445.515 4.939 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273673 KMCXSCGBXYDBHH-XUZZJYLKSA-N 449.547 4.787 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)cc1 170284550 KHEVGUWRZSPABP-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccco2)ccc1Cl 170287813 UUDYZSCFJUDHAS-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3OC)[C@H]2c2ccc(C)o2)cc1 170300669 YBHYMBIARXHTRG-HSZRJFAPSA-N 447.487 4.951 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCc1ccc(Cl)cc1 170425273 LHZVAHNTZUZIEL-LJQANCHMSA-N 438.936 4.926 30 10 IJEE CCCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2cccc(C)c2)cc1 170459291 CYLOLCRINLYNIG-JOCHJYFZSA-N 435.520 4.683 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 252637228 XQIWUACARSMTOD-GLZVZYKUSA-N 432.299 4.981 30 10 IJEE Cc1ccc(NC(=S)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1C 254408145 NBIDKQGIQWBIKO-UHFFFAOYSA-N 432.524 4.680 30 10 IJEE C=CCCCN(C)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 303696713 AKKYHAQUGGNXMC-UHFFFAOYSA-N 427.353 4.832 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 460800088 QTFFNZTVAJVLOS-OAQYLSRUSA-N 448.523 4.512 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 476120710 LLLVPJFUTSBYQA-SFHVURJKSA-N 443.613 4.550 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](COc2ccccc2)C1 483850371 AZLCDXPRTSLRLQ-XMMPIXPASA-N 443.503 4.971 30 10 IJEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(C2CC2)cc1 484357021 DDFNIFLKRSZAHQ-UHFFFAOYSA-N 447.482 4.843 30 10 IJEE CC1(C#N)CCN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)CC1 507841776 SUCUNLHRSSJYEH-UHFFFAOYSA-N 447.795 4.643 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)cc1OC 526488763 MUSGUVJSQPFYIN-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)c3cnc(-c4ccc(F)c(F)c4)s3)CC2)c(F)c1 552691024 NFSLYMDLUARJHA-UHFFFAOYSA-N 443.450 4.783 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670207815 JLSCUUOYWQEENQ-HXUWFJFHSA-N 440.979 4.741 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N(C)[C@H]2CCCc3nc(C)sc32)cc1OC 732166435 ODGMEACTUSSOFK-IBGZPJMESA-N 445.585 4.526 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN(C)Cc2nc3c(s2)CCCC3)c1=S 765054789 YENBCSNJJHITKS-UHFFFAOYSA-N 441.626 4.604 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCCN(C)C(=O)OC(C)(C)C)n2)cc1 777299164 YTHILDSNJGJCGK-QGZVFWFLSA-N 429.542 4.642 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1Cc1cc(Cl)ccc1OCC#N 779608272 FPBFQNIQTFPMQU-QFIPXVFZSA-N 436.943 4.618 30 10 IJEE Cc1cc(Br)c(O)c(C=Nn2c(C)nc3sc4c(c3c2=O)CCCCC4)c1 781578010 GIMBPPUCWMHMQH-UHFFFAOYSA-N 446.370 4.694 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])SC1=Nc1c(C)cccc1C 799210534 GRUBBUFVWFRFIG-GOSISDBHSA-N 440.525 4.500 30 10 IJEE C#CCC(CC#C)C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 806358208 UIDDZRIJNKXHJY-UHFFFAOYSA-N 429.951 4.873 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccc(Cl)cc1 810473696 HBPFJLUBSJCHRH-HNNXBMFYSA-N 430.316 4.546 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCCCF)C2=O)cc1 812221338 JREVKTWKXDLGGG-HXUWFJFHSA-N 441.528 4.599 30 10 IJEE COc1ccc(Br)cc1-c1nc(C(=O)N(CCC#N)CC(C)(C)C)cs1 1125889014 DLPDVHRABKYLKI-UHFFFAOYSA-N 436.375 4.983 30 10 IJEE C#C[C@@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccc(Br)cc1 1129608369 DRKFQIZVUKOQPA-HXUWFJFHSA-N 437.293 4.506 30 10 IJEE C=CCCSCCNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1130678428 ARYTVRHRTGHNEQ-UHFFFAOYSA-N 433.371 4.741 30 10 IJEE C=C/C=C\CCNC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 1133048676 FAXRWGDLXXVTGF-WAYWQWQTSA-N 430.957 4.583 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC/C=C/Cl 1141763176 JUOLCZJGJQEUNI-JNKLARPZSA-N 440.927 4.660 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 1151423146 CNTJKPNDJQCONF-IBGZPJMESA-N 437.005 4.730 30 10 IJEE C=C(C)Cn1c(Sc2nc(-c3cc(F)cc(F)c3)ns2)nnc1-c1ccncc1 1162764044 ZGZVAFYJYIWKQL-UHFFFAOYSA-N 428.493 4.864 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@]3(C)Cc3ccccc3Cl)n[nH]2)c1C 1166256324 BXGBJJLSNMQCOC-DEOSSOPVSA-N 437.975 4.967 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(Cl)ccc1F 1186394753 BSKCMCFVUOENMB-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(Cc2cc(Br)ccc2Cl)CC1 1190760358 HYWKBVXHVOGSJZ-UHFFFAOYSA-N 441.760 4.845 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(Cc3ccc(Br)cc3C#N)C2)C1 1194392484 AWLZWWSQFMWKEV-FUHWJXTLSA-N 448.405 4.790 30 10 IJEE C#CCN(C(=O)Nc1cc(C#N)c(F)cc1C)[C@H]1CCOc2ccc(Br)cc21 1208860189 ZAXJJVWYRGVGIX-IBGZPJMESA-N 442.288 4.759 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N=S2(=O)CCCC2)cc1)c1ccc(Br)cc1 1219192280 JGLAMPSTVGETHJ-IBGZPJMESA-N 446.370 4.838 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC 1224915362 YWSGMRVITOVVNP-ICSRJNTNSA-N 431.577 4.743 30 10 IJEE Cc1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(OCC(F)(F)F)c1 1230144002 IDFQSMZRABBQOO-UXHICEINSA-N 431.458 4.918 30 10 IJEE C=CCc1cc(C(=O)N(CC)Cc2cc(Br)ccc2F)cc(OC)c1OC 1264905704 IVGNYJZXDGWZLN-UHFFFAOYSA-N 436.321 4.996 30 10 IJEE COc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c(OC(F)F)c1 1276766222 HYGPXFJPXTWJFA-LBPRGKRZSA-N 428.357 4.870 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](OC)C(C)C 1286565595 DYRBKYPKIKHWKI-GOSISDBHSA-N 439.373 4.920 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cnc(C)s2)CC1 1286641562 ZZDOCKOBWPDACE-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286671194 ULJFKQFJRDSJCJ-INIZCTEOSA-N 447.008 4.574 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCc2cccs2)CC1 1286695899 MTIMVKJHRIWFHI-UHFFFAOYSA-N 442.032 4.991 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1286702583 TZZWPHMQSNXDBV-JOCHJYFZSA-N 433.556 4.589 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1OCC[C@H]1C 1286744249 GFASFOFDZLLVOY-JMJGKCIBSA-N 438.616 4.814 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC2(F)CCC2)C1 1286811991 IAVNSGHJONERQO-HXUWFJFHSA-N 428.552 4.538 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 1288965237 KVMKXHJNYQDDHF-UXHICEINSA-N 444.497 4.864 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C 1293524763 HIOZIOUHDAMWNH-UHFFFAOYSA-N 440.341 4.746 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)cc1F 1300282338 HLBRLNSIQWWUGP-HOTGVXAUSA-N 438.572 4.785 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCO[C@@H]1C(C)C 1300443410 GNFNLEAUMLJGMR-PGRDOPGGSA-N 438.572 4.943 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)cc1SC 1300565507 QIMWCQYUUBXMEM-UHFFFAOYSA-N 435.984 4.535 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@@H](C)C1 1300569667 PQSUOMYESPERTJ-IAGOWNOFSA-N 443.364 4.746 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCCOc1ccccc1 1300877028 UGRBOIRTJCMQHU-NZQKXSOJSA-N 436.556 4.733 30 10 IJEE C=C(C)Cn1c(N(CC)Cc2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300965631 UREULLCNSBHUKB-CALCHBBNSA-N 431.606 4.713 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2csc(CC)n2)CC1 1301075992 WWUGGWKMAXKPAY-UHFFFAOYSA-N 429.977 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301139166 LQMPHTLRTVFMTJ-YJBOKZPZSA-N 448.409 4.643 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC)[C@H](C)C1)c1ccccc1 1301166295 TYIHKNQELLEDQA-NFBKMPQASA-N 435.641 4.821 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1301176722 JFPAASIMAFAUBG-FQEVSTJZSA-N 432.341 4.814 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1301207321 TUEDNKDVUGZSNP-GOSISDBHSA-N 442.951 4.649 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1csc(Br)c1 1301229018 DSEFQGRTSYMUPW-UHFFFAOYSA-N 449.422 4.566 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCN(C(=O)OC(C)(C)C)C1CC1)C1CC1 1301320760 MKTOGZFVTWUBTB-UHFFFAOYSA-N 441.551 4.639 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCSC1 1301334630 PMLQEIIRTUHMBZ-HXUWFJFHSA-N 435.597 4.685 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1nc(C)cs1 1301340347 GGWWQCNAVRBRSP-QGZVFWFLSA-N 443.580 4.906 30 10 IJEE C=CCN(CC=C)c1nnc(C(C)(C)C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1301372347 YGAUHGCUGGSBGB-SFHVURJKSA-N 429.609 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCOC)CCCCC2)C1 1301545022 CWBXVKVMQBWAHF-HSZRJFAPSA-N 449.599 4.585 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(Cc1ccco1)C(C)C 1301612268 WRKQFAJGDFSFKC-NRFANRHFSA-N 440.569 4.718 30 10 IJEE C=CCC1(CNC(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)CCCC1 1310875216 PBEVRAZMCBZVME-UHFFFAOYSA-N 440.357 4.683 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccccc1Br)c1ccc(Br)cc1 1312938221 YSDDKUUPHMPXPQ-KRWDZBQOSA-N 436.147 4.728 30 10 IJEE C=CCN(C(=O)Cc1cc(C)cc(C)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352004742 URGKLYBXTDVGCT-UHFFFAOYSA-N 440.590 4.592 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1c(C)occc1=O)c1ccc(C)c(C)c1 1353402751 HBDZHFOQPJWTTQ-UHFFFAOYSA-N 433.504 4.742 30 10 IJEE C=CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)c1nc(-c2ccccc2)cs1 1355119388 CANLVMIDUZJBAJ-UHFFFAOYSA-N 449.467 4.876 30 10 IJEE COc1ccccc1Oc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)nc1 1357458322 HMFNWFOVEDDUJW-UHFFFAOYSA-N 445.866 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1Cc1cccnc1OCCCC 1359067514 QOPADCBZAGTGFX-AREMUKBSSA-N 445.567 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1359072868 TWBGPXGDGWFYMZ-CCLHPLFOSA-N 447.627 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)C)C1 1359102765 FOHUXJFIHJJKQT-YDHSSHFGSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC 1359104310 ZYLPQTPIFXSAPM-IFXJQAMLSA-N 425.360 4.601 30 10 IJEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1359117516 DLDPKOZHVFQHPY-LJQANCHMSA-N 442.604 4.566 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1359118147 QNPFHNCQLLJSPL-MOPGFXCFSA-N 432.515 4.907 30 10 IJEE C=CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(CC)CC(=C)C)c1ccccc1 1359193531 FSKFPUBXSZUANL-FQEVSTJZSA-N 433.556 4.768 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CSCCS1)C1CC1 1359248069 ZDPRDGIVQKTJQE-KRWDZBQOSA-N 438.569 4.550 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCc1csc(CC)n1 1359258116 GYRYWJOPRPCKBP-UHFFFAOYSA-N 430.581 4.794 30 10 IJEE C#CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1435174640 HCZRBLRQLUYOCG-MRXNPFEDSA-N 449.688 4.610 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1435949778 ADSMZMRNGBQHAK-UTKZUKDTSA-N 426.479 4.795 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C(F)(F)F)n2nc(C)cc21 1436181257 XPYIBRIKXNISIB-OAHLLOKOSA-N 433.352 4.929 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)ns1 1445032683 ORTIBISHOUBAQU-UHFFFAOYSA-N 431.286 4.976 30 10 IJEE C#CCN(C(=O)CCSc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1455813376 QBQTVWWPBJMRRD-UHFFFAOYSA-N 437.005 4.684 30 10 IJEE CCN(C[C@H](C)C#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1464236808 DTDWHMMGVLUJNA-KOSHJBKYSA-N 433.552 4.558 30 10 IJEE N#CCOc1cccc(CNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)c1 1465084238 BDBPUWCVNAPIFW-UHFFFAOYSA-N 427.291 4.964 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 1465194051 DSRYTMUNTYYWSP-UHFFFAOYSA-N 447.457 4.893 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1465194374 QLRBXPRFLIPXJC-QGZVFWFLSA-N 431.558 4.671 30 10 IJEE Cc1cc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1C(=O)OC(C)(C)C 1466071634 FHRZWIHZDVBSOQ-UHFFFAOYSA-N 448.567 4.608 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1467634406 BKRLQNPYPIKQQY-SFHVURJKSA-N 438.471 4.687 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1F 1467935039 ICWVYZOUKLXNHW-OAQYLSRUSA-N 436.870 4.844 30 10 IJEE C#CCN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@@H]1CCCc2ccccc21 1472071342 YDTAGHVEJLALQC-OAQYLSRUSA-N 436.968 4.552 30 10 IJEE CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1473396925 FUGGXMIXLSYJAB-FCHUYYIVSA-N 440.613 4.567 30 10 IJEE C=CCOCCCNC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 1478165178 CYFOLLRRHIAZJB-AWEZNQCLSA-N 438.391 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(CC)(CC)OC 1507545952 NMBHZWQERVCVSQ-HNNXBMFYSA-N 439.387 4.827 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCC[C@H]1CC 1507710537 QFVPMIMEAICENO-CTNGQTDRSA-N 433.556 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccccc1Cl 1507761933 MABVPCHRZHXVBX-JOCHJYFZSA-N 442.350 4.718 30 10 IJEE C=C(Br)Cn1c(C2CC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1507781523 BBLACMHOTSCHEE-UHFFFAOYSA-N 433.247 4.858 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1507782357 BZABXONFNRHWCM-KRWDZBQOSA-N 442.336 4.690 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C)s1 1507795943 NCZFDKNFSTXONJ-XLIONFOSSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C 1507811294 PNYCHXQLXAFORF-PYXMZCFHSA-N 430.637 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1c(CC)noc1C 1507811535 BBLCKFQIYUSUMP-KRWDZBQOSA-N 427.524 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)N(C)C 1507813881 CTQRPBGMZPTDCY-AWEZNQCLSA-N 440.817 4.714 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1507915712 XIKXEHNGEYNHAK-FQEVSTJZSA-N 439.604 4.853 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1507961508 AHQJGXQZISXXBO-DVECYGJZSA-N 447.583 4.837 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CSCCS1 1507998432 GNHHGZJSTDYOCR-HXUWFJFHSA-N 441.670 4.780 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCOC[C@H]1OC 1508015308 QRFNUNGZIATHAR-WOJBJXKFSA-N 442.629 4.505 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1CC1(O)CCCCCC1 1508024971 OEDGMHMXOXEPCT-UHFFFAOYSA-N 445.611 4.584 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1508159531 OTZLGDOZAGRLEU-IBGZPJMESA-N 436.984 4.835 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCCC2)C1 1508168465 VVQNKXHPHIYOQB-UHFFFAOYSA-N 442.629 4.543 30 10 IJEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCCCC1(F)F 1508998385 AHUSUWQDUGDSQK-SFHVURJKSA-N 446.521 4.564 30 10 IJEE Cc1nc(SCC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)c(C#N)c(C)c1C 1517304970 APTQEJPNSGUDHS-UHFFFAOYSA-N 433.581 4.596 30 10 IJEE C=CCc1cc(CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 1519361281 MLGOIARXOILAGI-UHFFFAOYSA-N 437.458 4.925 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(OC)c(Br)c(OC)c1)c1ccc(F)c(F)c1 1523233983 SUZZNXCWGFFUHJ-SFHVURJKSA-N 426.257 4.792 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc2cc(Br)cc(Br)c2o1 1524517320 YLYXRWPSISBLGV-MEBBXXQBSA-N 443.135 4.669 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)C1 1525822922 CVZLISYSJBHNRF-QFQXNSOFSA-N 446.551 4.524 30 10 IJEE Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C#N)c3Br)c12 1525913258 HYLBMVMZMIYJOF-UHFFFAOYSA-N 446.308 4.830 30 10 IJEE Cc1ccc(Cn2nc(C)c(CCC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)c2C)cc1 1529286706 ICMVXNXBFWKVAW-AREMUKBSSA-N 426.564 4.855 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccccc1 1529728449 KHUHIHRJXUPPRV-OAQYLSRUSA-N 433.305 4.806 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1C#N 1534396160 GIGVXSYYXQMNIY-UHFFFAOYSA-N 445.475 4.723 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Oc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1534453273 IDAZALVKFWHVNF-UHFFFAOYSA-N 439.508 4.772 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)cc1 1535479360 PSVGPONFPGZYOS-SFHVURJKSA-N 439.334 4.867 30 10 IJEE C=CCN(C(=O)c1cc2c(N(C)C)cccc2s1)[C@@H](Cc1ccccc1)C(=O)OCC 1537325073 IAJMKHZCLCRMKR-NRFANRHFSA-N 436.577 4.770 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCCC[C@H]1C 1539034457 DIATWICHHZBMEX-FGZHOGPDSA-N 439.673 4.991 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]32)nnc1-c1ccc(Cl)cc1Cl 1539459009 ZTOKPXLHOARJDE-RVSPLBMKSA-N 437.396 4.835 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539497109 KCYFKRJSULQIHH-PNCHPQGNSA-N 428.577 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(CC)s1 1539540410 NYXMUWROVHXLJB-XMMPIXPASA-N 436.581 4.627 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1539578845 CLISXHYZUZDZOE-XUVXKRRUSA-N 445.405 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC)(CC)C1 1539619960 IUBRGDQNMLZKKD-CTNGQTDRSA-N 439.560 4.851 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](CCC)C1 1539711896 GCESUOPHDNTYCX-HXUWFJFHSA-N 432.996 4.833 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1539752802 ZZLQYXVHTHVASH-DENIHFKCSA-N 449.426 4.790 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1539774602 CVYZMTZOJIGGEK-ZACQAIPSSA-N 437.009 4.900 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1539794329 XYEVLEVAIBVXIZ-MRXNPFEDSA-N 428.993 4.804 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(CC)CC2)CC1 1539900139 HZZGQCYDMMLFHZ-KDURUIRLSA-N 429.609 4.641 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(Cl)cc2C1 1539902417 HACBNLFTDMQWOH-QGZVFWFLSA-N 432.996 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1539921296 UTCZGYVUABTGSI-KKSFZXQISA-N 430.543 4.753 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1539931931 SZSLGTQJFCQPPK-AYWYSENESA-N 430.637 4.803 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC(N)=O)CC1 1539954507 ZZZGASYOHPUDTR-KRWDZBQOSA-N 441.645 4.580 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539989382 VXRRWMCTCCBWCM-SFHVURJKSA-N 444.023 4.884 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1539997740 SUSGJKGQBOXKGO-SFHVURJKSA-N 430.478 4.876 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1540012406 LROZFDGBGIBWPW-UHFFFAOYSA-N 427.637 4.596 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCCCC1)C1CC1 1540095883 YONOHLYZEFPLPG-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1540137095 PKXIUROUHKSLLO-WOJBJXKFSA-N 425.596 4.998 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@]2(CCCOC2)C1)C(C)C 1540152086 PIFZJZNRIQJAKS-ZEQKJWHPSA-N 441.664 4.641 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(F)(F)F 1540165720 YJEPPZFGLVWWRB-FQEVSTJZSA-N 432.442 4.538 30 10 IJEE CC(C)CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCSC1)C1CC1 1541512246 CPYMOZXYFOSJSA-FQEVSTJZSA-N 439.629 4.887 30 10 IJEE Cc1cc(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)nn1-c1cccc(C#N)c1 1542590381 CDIUODNWQQHRQF-OAHLLOKOSA-N 426.442 4.995 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 1543040172 ZFOWEFQNXWSLOS-PKOBYXMFSA-N 432.973 4.914 30 10 IJEE CCOc1cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)ccc1OCC(=O)OC 1544832471 GVLVPCRXTZWOJE-KBPBESRZSA-N 442.537 4.508 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccccc1 1558133723 SFMZZGNJZRNSEX-SFHVURJKSA-N 426.460 4.776 30 10 IJEE Cc1nc(-c2cccc(NC(=O)COc3ccc(Br)c(C#N)c3)c2)cs1 1559474875 BYCOHXIKYVHISQ-UHFFFAOYSA-N 428.311 4.770 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 1561212757 GZSBLBXZBJWLJI-FQEVSTJZSA-N 432.973 4.690 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(C(F)(F)F)cc1 1564005313 IJOOVAAFYHSPEI-RTBURBONSA-N 449.448 4.957 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 1570552495 IDAUATAWLUQDTH-KBXCAEBGSA-N 439.478 4.639 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl 1587242367 QBOSLVXFSPYHPD-QWHCGFSZSA-N 435.735 4.579 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1587773482 LGOOIZGLALIHHI-GBXCKJPGSA-N 429.568 4.664 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC1(CCOCC)CCCC1 1588099216 JVPLCGDSQNSKIZ-UHFFFAOYSA-N 430.552 4.751 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1cccnc1Oc1cccc(F)c1 1588420661 KHJAFGMZEPUDCE-UHFFFAOYSA-N 447.539 4.765 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N(C)CC1CCC1 1589357776 HQRHZTPALAESRO-UHFFFAOYSA-N 440.183 4.853 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1589483597 PEBIIGXXYIXCPQ-CTNGQTDRSA-N 427.549 4.706 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C#N)CC1 1589503476 DMBCRJBLNRPNMO-JTHBVZDNSA-N 433.600 4.964 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC)C1 1589504343 HJBJJOSWVUCZHM-NRSPTQNISA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC[C@H](C)N1CCCCC1 1589676189 OQDCEVJXOAWDOZ-QFIPXVFZSA-N 434.632 4.948 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)cc2SC)CC1 1594167955 IKFWBCCMKHVBCO-UHFFFAOYSA-N 441.645 4.678 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cc(C)no2)CC1 1594437931 PWMZWJUWBPYTQU-UHFFFAOYSA-N 429.977 4.971 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC(C)(C)C1 1594855811 CRCPOVLMJWMZSM-OAQYLSRUSA-N 425.621 4.779 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)c1ccc(F)cc1 1595156666 OQEINOMORXRDIV-WIYYLYMNSA-N 442.560 4.563 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1595343269 ISQMPHUIVAVMIV-WMLDXEAASA-N 442.188 4.914 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2(c3ccccc3Cl)CCC2)n1 1611072824 NXYHIVXJGBYQRA-UHFFFAOYSA-N 446.001 4.514 30 10 IJEE Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C[C@H](C)C#N)s1 1612072529 DKBOEXXQKYZRSN-GFCCVEGCSA-N 448.365 4.861 30 10 IJEE C#Cc1ccc(NC(=O)CCN2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)cc1 1615576875 CHTZTMKQQUCXEP-RPBOFIJWSA-N 447.579 4.508 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1 1616499913 BHQYRHDPHAKNFU-UHFFFAOYSA-N 444.564 4.665 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC#N)CC1 1616625619 HMDJIWNAIRZWPC-UHFFFAOYSA-N 432.572 4.686 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1621949657 UMJUOMAEMXZOIT-MRXNPFEDSA-N 444.431 4.608 30 10 IJEE C=CCC1(NC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CCCCC1 1622791244 WPBZZVZNDCACJN-UHFFFAOYSA-N 449.617 4.660 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2nc(C)c(Cc3cccc(Br)c3)s2)C1 1624773600 WFEMHZNPOCVDPL-INIZCTEOSA-N 436.375 4.614 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2)C(=O)OC 1626188448 ZIBXQGOFRUVSCX-DKXPKDADSA-N 444.918 4.670 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1)c1ccccc1 1626480712 UMRJVIOIIXNOLQ-OIBXWCBGSA-N 442.600 4.657 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccccc1 1627430520 XRVNCMZWRPVPCP-SSEXGKCCSA-N 434.546 4.849 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 1631453113 YXRGXLIOUHGJOX-HKUYNNGSSA-N 439.581 4.661 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 1632118542 NVSWTQOYPZLTPN-INIZCTEOSA-N 449.960 4.975 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)Nc3nc4cc(Br)cnc4[nH]3)c2)cc1 1637349808 BPNOQYOOIZQVQA-UHFFFAOYSA-N 434.253 4.637 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@@H]2C)cc1 1641286795 HVPAHCVEZIIGJC-ORYQWCPZSA-N 429.561 4.636 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C(F)(F)F)CC[C@H]2C)n(-c2cccc(F)c2)c1C 1642684644 APGLBEFTKTZKFL-CZUORRHYSA-N 436.453 4.706 30 10 IJEE C=CCN(Cc1ccc(Br)c(F)c1F)[C@H](Cc1ccccc1)C(=O)OCC 1642726761 ZXXBFUNBDPYGDS-GOSISDBHSA-N 438.312 4.890 30 10 IJEE C#CCN(C(=O)c1ccc(OC(CC)CC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385489 UTQSTTKUZNGVCZ-UHFFFAOYSA-N 428.573 4.729 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1651414644 WSDBHYOATIQHJT-CQSZACIVSA-N 428.451 4.576 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C(C)C)nnc1-c1ccc(OC)cc1 1652409597 TYHNSDHKJQEQNO-QMMLZNLJSA-N 442.629 4.951 30 10 IJEE C=CCOc1cccnc1C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1653062983 OGWKJMZCOANNNJ-IBGZPJMESA-N 443.588 4.536 30 10 IJEE C=CCN(CCOC)CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 1653480052 OKJMEEQUYOMMTP-UHFFFAOYSA-N 432.568 4.537 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2CC2CCCCC2)cc1Br 1653852442 HRQRPKTZTGAWMS-HNNXBMFYSA-N 429.355 4.583 30 10 IJEE C=CCCc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)COc2ccccc2)cc1 1654204093 VXGOYSDBYVSOIT-UHFFFAOYSA-N 437.517 4.590 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1661123878 DSGJBKMCDHGHIP-HXUWFJFHSA-N 443.588 4.733 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(C(=O)NCCC)c(Cl)c1 1662769824 HGBRSZTVJVQRSF-UHFFFAOYSA-N 435.749 4.866 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H](CC(=O)OCC)c2cccc(Br)c2)c1 1666342799 NHCDMVLMQKEBRY-LJQANCHMSA-N 447.329 4.830 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccc(OCC)cc2)CCOCC1)c1ccc(Cl)cc1F 1667263314 BOIOTXFKWQPKCA-JOCHJYFZSA-N 444.934 4.600 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)CC1 1668488614 TUHYFMQZFSXZIO-XMMPIXPASA-N 447.067 4.622 30 10 IJEE C[C@H]1CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1CCNC(=O)OC(C)(C)C 1668886352 HLAHILLWEPTEDV-WMZOPIPTSA-N 431.581 4.662 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(Cc2cccc(F)c2)CC1 1672708153 FMDAGVVLHVFWLJ-UHFFFAOYSA-N 448.336 4.503 30 10 IJEE N#Cc1cc(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(F)cc1F 1673962917 HEFGIANZNLQFFW-UHFFFAOYSA-N 439.384 4.725 30 10 IJEE C=CCCC1(CNC(=O)N(C)[C@@H](CO)c2cc(OC)ccc2Br)CCCC1 1674371999 KGZNJWKSDSZJIJ-IBGZPJMESA-N 439.394 4.659 30 10 IJEE C=CCC1(NC(=O)N[C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)CCCCC1 1682651091 LOGGUMJULKAVBH-NRFANRHFSA-N 427.589 4.717 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 1682689853 HLTLUQPKSLAJSP-RTWAWAEBSA-N 427.589 4.795 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1683106152 AJEOZJKIXZAUCO-RBBKRZOGSA-N 434.515 4.952 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(Br)cc(C)c2C1)c1ccc(Cl)cc1F 1683516545 CVIYQYICWINYGN-LJQANCHMSA-N 435.724 4.992 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)C1 1684064884 CPQNNAPLJXTREK-KNQAVFIVSA-N 427.589 4.821 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1689919610 UFEKLNZPLWWJFH-KRWDZBQOSA-N 433.383 4.797 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CC1(COC)CCCCC1 1690089534 DKBJUKBZJSRSJT-UHFFFAOYSA-N 447.558 4.716 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](c2ccco2)C1 1690163365 CEPLEMVWCMMZQJ-OAHLLOKOSA-N 430.936 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1cccc(C)c1 1690198678 YFNIRGNEGORZMO-MHECFPHRSA-N 435.959 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1ncc(CC)s1 1690212362 JLRZYLVMULXMJI-JOCHJYFZSA-N 441.988 4.570 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(CC)CC1CCC1 1690223023 BXJSQUIMGZYUIZ-UHFFFAOYSA-N 449.393 4.887 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1690227743 GJNOHMWOUGAHJN-HIFRSBDPSA-N 441.320 4.556 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCCCCC2)CC1 1690363989 GSZLALDJQNHQNJ-IBGZPJMESA-N 428.552 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCSC(F)(F)F)CC1 1690402631 JYZJVFDECBKRTE-UHFFFAOYSA-N 427.452 4.509 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](CC(C)C)N(C)C)CC1 1690412230 JESVFUOLDOSDAE-IBGZPJMESA-N 431.575 4.526 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690475369 PEVJNVQUIGPITM-GJZGRUSLSA-N 437.407 4.741 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1690491712 GNHGKGHJJZXHMA-FQEVSTJZSA-N 433.581 4.968 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCN1CCCC 1690524078 ZMLFJHYLRMZRGI-NRFANRHFSA-N 434.588 4.877 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOC 1690558193 HSJCXYQYJXIETF-GOSISDBHSA-N 447.608 4.842 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](CC)Oc2cccc(F)c2)C1 1690697420 VCEUOPJWRUSAEW-RBBKRZOGSA-N 428.552 4.714 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CCC[C@@H]21 1690737095 ZOIAOLNPJVTJTN-KDOFPFPSSA-N 449.418 4.624 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(C)C)C2)c(C)o1 1692959919 HGOCSSAEMMTLEU-ATIYNZHBSA-N 447.583 4.807 30 10 IJEE CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1693897890 GKMIXNSFEFDLOQ-UHFFFAOYSA-N 436.947 4.570 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1705534376 GXVVJOMCTCMOPR-UHFFFAOYSA-N 445.652 4.754 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@H](F)C1 1705592778 TYTBSEZRFASPNO-SFTDATJTSA-N 446.526 4.718 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OCC 1705604604 PJXGRPMTCXXJMN-SFHVURJKSA-N 432.996 4.963 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@H]1C)c1ccccc1 1705798501 SZLKPSYAEFPROJ-JMJGKCIBSA-N 438.616 4.782 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(Oc2ncccc2F)CC1 1705815681 GCRLRBDVXMUANK-UHFFFAOYSA-N 425.483 4.632 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCC[C@H]1CC)C1CC1 1705856449 STMKACNTWYKTEO-CEMLEFRQSA-N 429.653 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1 1705868239 GPNHRGOXAGDNDY-VQTJNVASSA-N 437.613 4.723 30 10 IJEE CCSc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)c1 1710930955 FWCHMFFSZPSVJX-XMMPIXPASA-N 432.597 4.554 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1)C(C)(C)C 1712748665 AOJJFNHTGXMUCL-XLIONFOSSA-N 427.618 4.743 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cscn1 1722455171 PMYLVMVCGJSUGM-HNNXBMFYSA-N 443.667 4.591 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722496817 NSOQZLLBJRTAMM-LAUBAEHRSA-N 441.938 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCC[C@@H]1CCCCO1 1722498053 MMMCPWHFSJHOPT-BKMJKUGQSA-N 436.600 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCS[C@@H](CC)C1 1722503473 LHUWHUNOOYSHEQ-FIXSFTCYSA-N 440.657 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722513219 SSQVTKRFQQDBAU-SFHVURJKSA-N 443.592 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1722586343 CUJHXBMCVQSBRZ-DRKIFQHWSA-N 437.613 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1722586344 CUJHXBMCVQSBRZ-FZEVHQGJSA-N 437.613 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1722587251 IGFZXCCPOAWHBY-DRKIFQHWSA-N 437.613 4.877 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2F)CC1 1722602133 QOIMYEJTTHTHJV-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722643421 NCMJQPHCLWAICG-SZPZYZBQSA-N 439.648 4.853 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@H](C)C1 1722667296 CZGLTVIBLNQGMH-HUUCEWRRSA-N 437.407 4.763 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)OC 1722675541 NWWDSVNHIBJKSN-UHFFFAOYSA-N 431.540 4.746 30 10 IJEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1)N(C)C1CC1 1723817422 DHQUNWXAOVKMPD-HNNXBMFYSA-N 441.004 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1nc(C)cs1 1740538714 ONWALPXSIDJYSO-MAUKXSAKSA-N 430.581 4.828 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1740567375 QTVIBNABYMMKSR-AUSIDOKSSA-N 440.563 4.756 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CC=CCC1 1740590310 KXODYADJECYOJJ-LEWJYISDSA-N 441.620 4.599 30 10 IJEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1740672867 XPJQVWUWHDZEKI-URXFXBBRSA-N 449.624 4.570 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1740740267 PRYDAIUWIOSBLZ-UHFFFAOYSA-N 448.752 4.547 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](CN(CC)CC)C1 1740740551 FUTIITZRRHKFST-LJQANCHMSA-N 446.437 4.584 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CCC1 1740765976 FHWKXCZQDAGMBP-PGRDOPGGSA-N 430.980 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1C 1740771778 DDSWKWWFLCYNCQ-RBUKOAKNSA-N 434.588 4.514 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1740848952 VLKOHJKBPBYZSG-YTFSRNRJSA-N 438.616 4.988 30 10 IJEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 1740883364 RDBGYRQCVRDZDG-HXUWFJFHSA-N 439.585 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC[C@H]1CCCCO1 1740920092 CKMKEEHAHIKJAA-JOCHJYFZSA-N 435.547 4.555 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)(F)F)C1 1740974565 NTTJKCXNRGNNII-INIZCTEOSA-N 441.320 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C(C)C)N1CCCC1 1748654484 IRXDZKWSNQAAQD-JXFKEZNVSA-N 434.415 4.830 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[C@H]1CCCCO1 1748833584 VWWUUBDIACKMTM-PZJWPPBQSA-N 436.625 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@@H]1C 1749054510 UJRJOTWVSHPUJC-XLNZFTOWSA-N 442.007 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C)c(C)s1 1749056388 GREHTDDGNWXBAN-JOCHJYFZSA-N 443.523 4.660 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCOCC2CCOCC2)CC1 1749331488 MGTRFXIAIGVFAJ-UHFFFAOYSA-N 438.616 4.743 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCOc1cccc(C)c1 1749554436 SMCRYYUNOPVAOQ-HXUWFJFHSA-N 438.597 4.814 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1Cc2ccccc2[C@H]1C)C(C)C 1749557898 OBEIOUDEAGSJJF-FGCOXFRFSA-N 435.616 4.909 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cc(Cl)ccc2OC(F)F)C1 1749693991 NKPBHAJBJFMIFD-INIZCTEOSA-N 440.922 4.660 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C(CC)CC)no2)C1 1749704245 ZERLSUQPKINNBB-NRFANRHFSA-N 446.555 4.538 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](COC)C1 1760129863 BCVKKWHFDPGANM-PMACEKPBSA-N 445.007 4.965 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CCC(OC)CC1 1760165337 OWZDJAWDHOKWDK-UHFFFAOYSA-N 431.584 4.627 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C=C)CC1 1760275719 GEXWHSDHJQAZBO-QGZVFWFLSA-N 426.655 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(O)(CC)CC 1760288937 DHPZDFSADKOZFQ-GAJHUEQPSA-N 426.630 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](CC)C1 1760315929 KKKXXJYUDUIHOE-VWNVYAMZSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OCC)cc1 1760322799 XTWZZJZKPQEGEQ-NFBKMPQASA-N 426.605 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCC1CC1 1760328123 QSVKIFAQOVROGW-LNRXMEIDSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)CN1CCCC1 1760331104 PXNYIYQKUMXFSO-UHFFFAOYSA-N 447.631 4.860 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1760379692 CXMSLGDECRIUST-QGZVFWFLSA-N 434.878 4.692 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1760385214 MQZRVDWNKYHEBX-HKUYNNGSSA-N 445.405 4.724 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)COC)CC1 1760385387 TVBJNJYQSSYMTP-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCc2nnc(C)s2)CC1 1760400188 QOIVCVXPOJDEFJ-UHFFFAOYSA-N 428.993 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760410152 VGDVMLOGVHOUOR-FQEVSTJZSA-N 440.979 4.512 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC)Cc1ccc(F)cc1C 1760411045 APVLRMJMKXCOFB-HXUWFJFHSA-N 427.568 4.696 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccnc2C)CC1)c1ccccc1 1760417376 BUMJNEIYRIASFI-NZQKXSOJSA-N 445.615 4.577 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@H](SC)C1 1760432406 LFYCDZDLTBBKKI-SFHVURJKSA-N 446.617 4.659 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760508401 ZBSQLYRPYTWNCY-UHFFFAOYSA-N 446.599 4.549 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1760560314 RZONURHDUYJEBB-YOEHRIQHSA-N 436.423 4.724 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H](C)C#N 1760690549 DIMVVDBHMPGKLZ-XQFWAAQXSA-N 448.571 4.647 30 10 IJEE CO[C@@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccc(C#N)cc1 1769564538 GIHOBRQXHDAWKO-SJORKVTESA-N 435.597 4.674 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4ccnc(Cl)c4)CC3)cc2)c1 1860705592 YHWJKUAGLNFSHL-UHFFFAOYSA-N 445.906 4.846 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 1862395960 ABHYDYFLZFIXJH-HSZRJFAPSA-N 435.520 4.874 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCC)c(OC)c1 1862421773 PIUXXGNVVTXVRJ-OAQYLSRUSA-N 445.462 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1c(F)cc(F)cc1F 1862456813 AYBPTYLJDRFLQN-LJQANCHMSA-N 445.418 4.650 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC)cc1 1862462378 BOGQUXWDAOSLPY-FQEVSTJZSA-N 433.426 4.881 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2c(F)cccc2Cl)cc1 1862480466 HTEKNFYTBVOLHT-NRFANRHFSA-N 436.870 4.961 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c1 1862487040 QZGVCEJBSJTQOK-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1OCC 1862552165 AZVYZPSLMHZYDX-XMMPIXPASA-N 449.547 4.961 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1c(F)cccc1Cl 1862574612 RNZUZWFYXBNTMF-FQEVSTJZSA-N 447.890 4.875 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)c1 1862626641 DXLBAMIRIVMBMZ-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(OCC)cc1 1862643116 UIEUHRQVEDUZKY-NRFANRHFSA-N 427.472 4.611 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 1862750754 DARDRYSFSKORAA-NRFANRHFSA-N 431.448 4.597 30 10 IJEE CCCOc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862769113 RNJFVAHNGOUSHK-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862939520 RRBWERFCRXWVTM-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036887 KQHPRTQSPQORTF-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(NC(=O)c3cccs3)c2)=C(c2ccc(C)cc2)C1=O 1863276915 HPYBSZNQVLCAAZ-UHFFFAOYSA-N 443.528 4.687 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N 1866945987 JWKSZMIDAWRLDY-FOIQADDNSA-N 442.357 4.738 30 10 IJEE C=CCOc1cn(CCCOCC)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870810176 QBQCLQQFOOJOAX-UHFFFAOYSA-N 427.589 4.606 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)COc3ccccc3)cc(C)c2C1=O 1871364535 QIVAENRDWJOPDY-UCQKPKSFSA-N 430.456 4.994 30 10 IJEE Cc1cc(OC(=O)c2cnccn2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871370132 QUOKSHKHWRYLMM-WSVATBPTSA-N 427.243 4.927 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc2C1=O 1871377344 GPSRZMCVQUWHFY-FDTILGBMSA-N 443.411 4.838 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871381984 IJKPSALTAPTGQJ-AMUWGTMJSA-N 444.414 4.847 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871422269 IGOYEYAJGKTUNK-MTJSOVHGSA-N 433.485 4.893 30 10 IJEE C[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O)c1ccccc1 1871424369 HNDGNTQSVBVHNX-AOBKZXEFSA-N 442.515 4.625 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871436143 NXRIBJSTKSTTOK-HQXWYHRWSA-N 428.419 4.720 30 10 IJEE C=CCN=c1nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871660603 DHCMJFKVLZTDND-UHFFFAOYSA-N 443.599 4.508 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871791056 LQTMZVGQOLMVNZ-GOSISDBHSA-N 434.989 4.778 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)CCC 1872016608 SUAVZBGYNGSHRC-JOCHJYFZSA-N 428.598 4.892 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872061709 UOZSUPNQGYQJKS-QFIPXVFZSA-N 432.561 4.591 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872502857 KXYCMMKVGDPBGL-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE COc1cccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c1OC 1874215284 DZKLQWHNUHKXNH-FOKLQQMPSA-N 446.960 4.749 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874229909 IHZHXBKULRLAFN-SRZZPIQSSA-N 431.905 4.721 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc(OC)c1 1874261664 MOMDQJHFJNIBIS-BHGWPJFGSA-N 430.480 4.694 30 10 IJEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874352785 BOMFKMKOPNIARX-VULFUBBASA-N 433.512 4.704 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1 1874400997 FQSNLRFNSISXCZ-VEMXNMSTSA-N 440.544 4.743 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C1CCC1 1874493202 AANUBOBUSLKRQX-PCLIKHOPSA-N 447.564 4.723 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(OC)c2)cc1 1874493880 JBQIUNWNBSNECK-MFKUBSTISA-N 449.580 4.730 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2CC(C)C)c1OCc1ccccc1Cl 1874559489 VFZDMDNEMLXPJJ-FSJBWODESA-N 430.961 4.889 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)N[C@H](C)c2ccccc2)cc1 1874576038 UICNNBPZTOUFBW-DQSGYLJSSA-N 445.515 4.856 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)NCc1ccco1 1874611461 KOYUPJFFIOWLBJ-WEVVVXLNSA-N 441.430 4.548 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 1874754747 NMTSHLSHNOXBAI-UHFFFAOYSA-N 427.888 4.747 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(OC)c2)c1 1875104126 HTRDGGDUZMGDSY-ZRDIBKRKSA-N 447.443 4.656 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875118334 YEMUBZANFGKPTP-CEQQRPIWSA-N 445.855 4.627 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1Cl 1875173428 LZQKMIABVUYMEZ-RMKNXTFCSA-N 438.867 4.571 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)C1CCN(C(=O)OC(C)(C)C)CC1 1922083015 LKIPINUQDUAREN-BVAGGSTKSA-N 446.632 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C 1922120344 SJHRKMDHQAVONN-RCZVLFRGSA-N 432.605 4.544 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NC 2028842655 HTOQXASOFUABHK-DLBZAZTESA-N 429.786 4.540 30 10 IJEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)CCCOCc1ccccc1 2066518042 HKJBWOFRQBPRPR-GOSISDBHSA-N 443.418 4.564 30 10 IJEE C#CC[C@H](C[C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2076092710 QWPINYVYZREBIM-ONBPZOJHSA-N 440.628 4.858 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(OC)c1 2124552060 DTPRROKKGVLANE-UHFFFAOYSA-N 425.323 4.579 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CNc1cc(Br)cc(F)c1C#N 2139858274 MPBFVAJKJXXVAM-MRXNPFEDSA-N 426.330 4.907 30 10 IJEE CCCN[C@@H](CC#CC1CC1)c1ccc(Br)cc1I 2142285884 WBOYFVQHXYFUSO-INIZCTEOSA-N 432.143 4.898 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(F)c1Br 2193224553 JTQLCMBFYLOMOX-GDBMZVCRSA-N 442.254 4.935 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](O)C#Cc1ccccc1Br)c1ccccc1 2235739721 JSYMRSFZKCBDAM-AZUAARDMSA-N 430.342 4.818 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C 2235750472 VYZYJIVTMVHVRN-LRXVAGHRSA-N 435.406 4.862 30 10 IJEE C=CCCC1(C(=O)Nc2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266281225 KBABGSUNNLVKAT-UHFFFAOYSA-N 427.314 4.730 30 10 IJEE C=CCCC1([C@H](N)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266318112 OFXFUPVZMJQSSA-MRXNPFEDSA-N 431.321 4.930 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1CC(N(C)C(=O)OC(C)(C)C)C1 2296267433 SVJXGSUBJKPLMQ-UUKMXZOPSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2296293448 JSHWWRPJEDPRBX-YSIASYRMSA-N 435.406 4.720 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@H]2c2ccc(OC(C)C)cc2)no1 2296775171 VBGRUJSMKPQYJT-OAQYLSRUSA-N 436.439 4.536 30 10 IJEE CC(C)[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317349194 YMKTWBWMJVWZAC-HHNLSAEISA-N 431.386 4.687 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1OC 2318789005 WXPSLPBSUXCVGG-UHFFFAOYSA-N 433.460 4.726 30 10 IJEE CCOC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2321836200 CBSBJXFDVKBAHY-OAHLLOKOSA-N 435.476 4.616 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(CCOc1ccccc1)CO2 2322038165 DORJXIITALTPGQ-UHFFFAOYSA-N 431.463 4.981 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccco2)c1 2322373893 HKXKJFYNCKLDPL-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE CCOc1cc(C=NNc2ccc(C(=O)O)cn2)ccc1OCc1cccc(Cl)c1 2322941924 FZEXDKOQYBKPRV-UHFFFAOYSA-N 425.872 4.857 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC)cc4OC)c3C)C2=O)c1 2323770147 GPQDTAXLWKKQER-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccc1 2324186279 RLDJMTPFJQDZMG-QGZVFWFLSA-N 448.450 4.886 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325628014 VUZIJEVJVZQYCC-AWEZNQCLSA-N 448.406 4.756 30 10 IJEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)OCO4)ccc2OC)c1 2325746739 VFPMDXRYXVPYQH-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(Cl)c2)cc1[N+](=O)[O-] 2326467963 GKVIOQAJMDHGNT-UHFFFAOYSA-N 445.932 4.975 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccc[nH]2)cc1OC 2326728685 MGIYQTZIVYMISV-UHFFFAOYSA-N 447.564 4.697 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccccc2C(F)(F)F)o1 2326834973 CJZUJSXNJQSTKN-UHFFFAOYSA-N 438.431 4.550 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1C(=O)O 2327298455 GPEHPVNFTCHFEJ-UHFFFAOYSA-N 438.553 4.865 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329853504 BROWAGXYUPFUIK-UHFFFAOYSA-N 433.896 4.954 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2330519847 CIJXTWFKQYVAND-UHFFFAOYSA-N 436.581 4.920 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccn2C)c1 2331042575 OJHSZPUQKIOJSB-UHFFFAOYSA-N 436.585 4.504 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2331299258 NORFGUWGAMAGOJ-UHFFFAOYSA-N 447.520 4.703 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)cc1OC 2331500559 WMOCVVIKOQZWHV-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(C)cc(Br)c1OC 2339687540 XDGSKVDPQQSVRF-IAGOWNOFSA-N 427.383 4.886 30 10 IJEE Cc1cc(CN(C)CC2CCN(Cc3ccccc3)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2369728254 GXYQOSILGPMNBJ-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1 21241187 OWWJPCXNYRJOKC-TZIWHRDSSA-N 449.547 4.885 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(Cl)c2)Nc2ccccc2F)c1C 32973354 JQGDFUWWZXUGSD-UHFFFAOYSA-N 441.938 4.753 30 10 IJEE CC/N=C1\S/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C(=O)N1CC 39858911 GMHDKYGUKACBEW-PSYZWBJOSA-N 432.549 4.860 30 10 IJEE COc1cc(C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc(OC)c1OC 41011757 YJMNOFVTHDLLNG-NSHDSACASA-N 430.551 4.752 30 10 IJEE Cc1ccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 102713733 FTQKMJHFXMDVJQ-LCPUNJGISA-N 449.532 4.568 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccccn2)cc1 169926873 XMESRZSWVKDCLE-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1cccc(C)c1 169941851 KUMNYTNZNYYXMR-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 169962072 NZOACIQTDIDWFO-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1C 170012837 RVUILINPKGFBCB-XMMPIXPASA-N 442.515 4.794 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccncc1)c1c[nH]c2ccccc12 170024817 LSWMEABJYPIROA-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccncc2)c1 170027197 BHOOWRIBWZPSHF-QFIPXVFZSA-N 438.487 4.666 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccc2C)cc1 170088969 RVYOFZAISLFZGE-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143469 SFNAWOJEEJPJDA-GGAORHGYSA-N 435.520 4.540 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170229394 MPHTZJGIFZPAQJ-QFIPXVFZSA-N 449.409 4.519 30 10 IJEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1Cl 170292035 VKZKSNFLXARCDX-KRWDZBQOSA-N 448.258 4.967 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170296993 KCFCVWKPNPFJKM-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC 170436372 SVFLMKVPMDFQEL-JOCHJYFZSA-N 439.508 4.536 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@]2(CCOC2)O1 431981358 MCYCCGNNNPTYHV-HSZRJFAPSA-N 441.915 4.806 30 10 IJEE N#Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)ccc1OC(F)(F)F 442040627 FWXYXJOEPJPBNZ-QGZVFWFLSA-N 425.794 4.716 30 10 IJEE C[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(-c2cccnc2)cc1 476653882 DOTVZWARLOESGD-MSOLQXFVSA-N 444.560 4.816 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 512872957 UTDGMGRDWREWRM-UHFFFAOYSA-N 429.345 4.790 30 10 IJEE CC(=O)N(c1ccccc1)c1nc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cs1 520543534 UKCZEMJZUOSDEM-UHFFFAOYSA-N 432.549 4.743 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(OC)cc1 526828027 TVEZRGCBMYFMMY-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 559009682 YLTRDSSIRCVCTQ-XMMPIXPASA-N 442.563 4.938 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 577920431 QBYPZYYHTBIMSR-SJORKVTESA-N 449.628 4.628 30 10 IJEE CC(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586210311 HZKNUYYBKIQJJU-UHFFFAOYSA-N 435.505 4.985 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(c2nc(-c3ccccc3)no2)CC1 669802609 ZCXLKKYPGAEBBM-UHFFFAOYSA-N 430.512 4.775 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670234517 BHRCFHYPWMTBAR-UXHICEINSA-N 438.551 4.788 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1I 692276608 IRMOONRVUKRPQB-IAQYHMDHSA-N 448.142 4.918 30 10 IJEE CCN[C@@H](CC#CC(C)(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693705682 HCOHGFVIEFUSIU-QHCPKHFHSA-N 441.660 4.964 30 10 IJEE C[C@H](c1nc2ccccc2s1)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 735307053 XZHBBHRBIRILNE-MRXNPFEDSA-N 426.973 4.731 30 10 IJEE C#CCN(CC#C)C(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 752150179 MXFIICLPUSARGI-UHFFFAOYSA-N 435.599 4.664 30 10 IJEE C/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc([N+](=O)[O-])cc1 752355388 QWWSOBIHYGJAIE-QJPKHSJYSA-N 439.493 4.574 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccc2c(c1)OCCO2)=C(/O)c1ccc(C#N)cc1 762445850 ZQQNOINFFBEEDZ-UHFFFAOYSA-O 444.536 4.503 30 10 IJEE N#C[C@H](C(=O)CCc1cc2ccccc2nc1O)C(=O)Nc1cc(Cl)cc(Cl)c1 767433254 SNRLJPHIYCGLAJ-QGZVFWFLSA-N 428.275 4.527 30 10 IJEE Cc1nc(NCC(=O)N[C@H](C#N)c2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1 770769339 KUCUCQNJDSIQLP-LJQANCHMSA-N 431.496 4.599 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781448364 OVLHITJOGJEFDW-NRFANRHFSA-N 437.499 4.767 30 10 IJEE C#Cc1cccc(NC(=O)C(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 783000725 HVZZIDCCFKYYPR-UHFFFAOYSA-N 442.862 4.634 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 784635027 UXYVVKQQAGYJCV-HRAATJIYSA-N 428.356 4.618 30 10 IJEE C#C[C@@H](NC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)cc1 794893786 PIRLVLWWYYPSHV-ZCQBWMKESA-N 434.467 4.522 30 10 IJEE CCNC(=S)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 1084273277 KLFGBCPTZNTLBK-UHFFFAOYSA-N 427.957 4.899 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)cc1 1115832957 GKVHWCSDADXAKW-NRFANRHFSA-N 433.533 4.829 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)cc1 1126270103 YWDMTTJZWSWRRX-RPWUZVMVSA-N 448.563 4.741 30 10 IJEE Cc1cc(C(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)nn1-c1cccc(C#N)c1 1127286103 FLACWPPGDYCZLO-JKSUJKDBSA-N 426.442 4.993 30 10 IJEE CCOC(=O)COc1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 1127414620 DFRZNFVFMKAHCQ-UHFFFAOYSA-N 434.423 4.684 30 10 IJEE C=CCn1cc(CNC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)nn1 1130119720 AFEKLLBFOKCFNB-UHFFFAOYSA-N 433.364 4.993 30 10 IJEE Cc1nc(CCC(=O)Nc2cc(F)cc(C#N)c2)oc1-c1ccc(Br)cc1 1132445252 BZEKZVHCZIQDTC-UHFFFAOYSA-N 428.261 4.995 30 10 IJEE C#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c(Cl)c1 1134432827 VUYPNGXIEGUIKY-SFHVURJKSA-N 446.934 4.974 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 1149394198 DPICRVVFWFPYKY-KRWDZBQOSA-N 446.897 4.742 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)cc1 1157327385 RWILFCYMOSFHLO-FOVJLYNBSA-N 432.564 4.652 30 10 IJEE CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3cc(Br)ccc3C#N)oc12 1184844722 AHRCOWQGBCOYQE-GFCCVEGCSA-N 449.326 4.505 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccco2)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 1188244698 YQDDTGVOHKXPEI-YDZRNGNQSA-N 426.586 4.828 30 10 IJEE C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccc(C#N)cc2Cl)CC1 1193898045 IDGGKGFQGXGOQY-CYBMUJFWSA-N 437.758 4.668 30 10 IJEE C=CCCN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1196533654 RFJVWSQKWKSJTE-UHFFFAOYSA-N 431.558 4.549 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)Oc1ccc(Br)cc1 1201170550 GGNJRIOXDJNARU-NSHDSACASA-N 442.235 4.929 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCc3ccc(OC)c(OC)c3)CC(C)C)cc21 1209767137 COJDIVZUWAGAPM-UHFFFAOYSA-N 436.556 4.972 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccccc1)c1nccs1)c1ccc(Br)cc1 1221856925 IPXYKTKCMRODJQ-QZTJIDSGSA-N 426.339 4.669 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 1221984173 AZAHBCFLRMKHFZ-UHFFFAOYSA-N 433.596 4.982 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cccc(F)c1)c1ccc2c(c1)OCCO2 1264220560 IAUWWQDYMUMMJH-UHFFFAOYSA-N 433.479 4.938 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCN1CC 1286529385 ZXYUICCJBOUYPX-PXDATVDWSA-N 437.657 4.745 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1286531006 SWTCBYJFMYPWER-LJQANCHMSA-N 433.394 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC1(C)C 1286549737 BHOGKVCDLMYNKY-OPYAIIAOSA-N 428.552 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCC1 1286553813 VTRPIULEJVTWTQ-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286585007 ZOLTUAOPLMSJMK-QFIPXVFZSA-N 439.604 4.701 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286590193 WKHGXCMMUQJURS-GOSISDBHSA-N 428.943 4.969 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](C2CCOCC2)C1 1286601784 YMHSYHIDBYGDHW-ZEQRLZLVSA-N 438.616 4.666 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccc(Br)cc1 1286626654 DSDXTDMZXBEVIW-UHFFFAOYSA-N 446.780 4.842 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1286654435 JPMHALYLWLHMFG-AOMKIAJQSA-N 445.405 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1286671794 ZLLHZCMIOIOCJR-UHFFFAOYSA-N 436.579 4.875 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286683151 KTHYKTAPCLKAMC-FGSXEWAUSA-N 428.552 4.917 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1286689473 RGWXIKQSHFHXJG-XMMPIXPASA-N 431.584 4.761 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C(C)C 1286744010 AHTQNIOWLBUNQI-XLGIIRLISA-N 440.632 4.796 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ncc(CC)s1 1286752814 IXEUHAUYBHADQO-UHFFFAOYSA-N 431.569 4.581 30 10 IJEE CC(C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC(C#N)CC1)c1cccnc1 1287162149 GANJHCSMBIZRNQ-XMMPIXPASA-N 428.584 4.638 30 10 IJEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(C)(C)c1cccs1 1287494081 HVDBVGKSYQEBPI-OAQYLSRUSA-N 449.624 4.965 30 10 IJEE Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1299464422 ALEXAYSPOUCFJB-UHFFFAOYSA-N 439.924 4.567 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1300362594 RUJFXKQAEBBCNE-FQEVSTJZSA-N 443.389 4.690 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(C(C)(C)C)no1 1300557063 PFDQZOZYQRLPFP-QFIPXVFZSA-N 429.568 4.617 30 10 IJEE C#CCN(C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)C1CSC1 1300608089 UPUXHDCNGPNQBV-UHFFFAOYSA-N 436.360 4.772 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC=C(C)C1 1300873248 FFLNYACLTVMCFO-DYESRHJHSA-N 428.964 4.745 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)C(C)C 1300875798 OLKZMOVJPIOLGL-QFBILLFUSA-N 433.394 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300907794 RBUOLQPIFDIVFK-OYRHEFFESA-N 434.632 4.976 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300937066 VJPVJGFHVSZLKA-UHFFFAOYSA-N 439.604 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1301146025 PKGFPWNOFCNXRS-UHFFFAOYSA-N 438.526 4.547 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1301177990 CNGXTDFBKQJKRT-IBGZPJMESA-N 445.007 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CC(C)(C)NC(=O)OC(C)(C)C 1301383211 AADLYIOYIXBOEN-UHFFFAOYSA-N 429.540 4.566 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)OC 1301405089 AEXHDFIEBWCMKK-INIZCTEOSA-N 445.361 4.571 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC(F)(F)CC1 1301597324 OKLQLVHHKYIZRS-UHFFFAOYSA-N 443.361 4.862 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1301601745 ILVCJMWWNXKLSW-IBGZPJMESA-N 429.540 4.608 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(F)F)C1 1301618326 OWKAXOQNTRXJPV-SFHVURJKSA-N 436.572 4.875 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(C(F)(F)F)c2)[C@H]1C 1305072135 ADENPIJMNUDXJK-GJZGRUSLSA-N 426.446 4.514 30 10 IJEE C[C@H](Sc1nnc(NCc2cccs2)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 1307399351 FZLYOQLDKNMEHO-JTQLQIEISA-N 435.987 4.856 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2cccc(Br)c2)C1 1307778793 HLQHSHLZOWSRJX-DZGCQCFKSA-N 444.398 4.687 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1312391090 REPRSRHSFHGBFH-HXUWFJFHSA-N 432.351 4.887 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CCCC2)cn1 1313513458 HKMQXAVQCLDZHJ-UHFFFAOYSA-N 430.556 4.675 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)c(C#N)c1C 1353603808 GDBZIVKTXKKBPT-UHFFFAOYSA-N 425.441 4.684 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC)CCC)c1 1357756480 UYKXNLMKPKMSLQ-UHFFFAOYSA-N 434.989 4.984 30 10 IJEE C=C(C)COc1cccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)c1 1358196406 MALYCJFQUFZAOQ-QFIPXVFZSA-N 435.524 4.557 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 1358378024 OTAGKNLZPVZWON-NRFANRHFSA-N 431.349 4.940 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1358898534 VVEKTIDZUNHFLT-IMSXRSKXSA-N 438.616 4.773 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(O)(CCC)CCC 1358973277 MPWVBJZKDSDPIM-UHFFFAOYSA-N 433.383 4.656 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)C(C)C 1358973397 QKHQNGFVKSEXQK-UHFFFAOYSA-N 430.552 4.872 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(F)c1 1359019997 ONDQAFLWQUKTSM-UHFFFAOYSA-N 438.572 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1csc([C@H](C)OC)n1 1359068117 OLWXPKIKXMZNMP-OYHNWAKOSA-N 441.988 4.803 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCCN1CCCC[C@H]1C 1359074062 PDPNRYYOMXHBMB-AJTFRIOCSA-N 449.643 4.676 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359142365 GFLWQIJEPQNZHV-QGZVFWFLSA-N 440.897 4.920 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2CCc2cc(Br)ccc2F)CC1 1359163605 LRAMMSHJVUDWID-UHFFFAOYSA-N 444.352 4.584 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)[C@H](C)CC)CC1 1359168839 KZZLYEDUNBBBEC-JPYJTQIMSA-N 430.618 4.533 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1359194078 OXJYRXRFXYFSOL-XZOQPEGZSA-N 431.584 4.951 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CC(F)(F)CO1 1359255311 UQLDOOUZSPJEJK-NRFANRHFSA-N 446.542 4.636 30 10 IJEE C=CCSCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 1435851628 MEGXFSPTOKBZGW-UHFFFAOYSA-N 428.561 4.796 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)c2C#N)C1 1437998115 BWCRTDCCCYSWBL-UHFFFAOYSA-N 439.581 4.620 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 1442727275 WDIYGAKPTVZHET-INIZCTEOSA-N 447.967 4.744 30 10 IJEE C=CC[C@H]1CC[C@@H](NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 1461570148 BFHJEEJIUMHBQU-JTHBVZDNSA-N 427.633 4.880 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 1469876269 DRDMYNYRKPRACU-HSZRJFAPSA-N 443.996 4.966 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 1469974408 HJLPCMZCSPATFT-IBGZPJMESA-N 443.551 4.580 30 10 IJEE CCC[C@@H]1CN(C(=O)NCc2cccc(O[C@H](C#N)CC)c2)CCN1Cc1ccccc1 1477923797 FYWDBWVYXZHCCA-RPWUZVMVSA-N 434.584 4.564 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)c(Cl)c1 1478581171 GRSXUYFRRWLZEG-ICSRJNTNSA-N 426.923 4.519 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C1 1497703079 HPNCJASIOBOJSE-OAQYLSRUSA-N 437.588 4.704 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507556693 CPENXCKEBXDPTR-FQEVSTJZSA-N 448.571 4.648 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507799009 QAOXAXBNKBNOEV-WMQCIHAUSA-N 448.970 4.930 30 10 IJEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(C)o1)c1ccccc1 1507855291 RSFQOHUZHUINQZ-IRLDBZIGSA-N 436.556 4.958 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCN(CC)C2)CC1 1507882482 UOZZSRUXHSQWOR-RBUKOAKNSA-N 429.996 4.570 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1507894488 DLIHXTSXOHTQFA-DLBZAZTESA-N 448.493 4.621 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 1507924808 UACYPOAFEWSPIA-UNMCSNQZSA-N 447.583 4.707 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1507930790 IYBQMFNTYDMNMZ-UHFFFAOYSA-N 446.599 4.968 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H](C(C)C)N1CCCC1 1507996201 GZBPHPGCUOGDMP-HSZRJFAPSA-N 434.632 4.760 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H]1C 1508000541 BXPMGBCUYBIMEY-KJOQGJGQSA-N 438.616 4.948 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1508019435 DVAVAFPEYFSJEF-QTDDQOEGSA-N 428.621 4.580 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@@H](c1cccs1)N(C)C 1511243953 FYHBZLZMPXBDSL-NRFANRHFSA-N 434.613 4.748 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)Cc1ccc(NC(=O)C2CC2)cc1 1525713372 DMTRMDVIYKASGV-UHFFFAOYSA-N 426.472 4.985 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)C1 1526527307 SPCNLLBELUHGJN-KRWDZBQOSA-N 426.442 4.557 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 1528415680 JPAISSMFUTZNPU-UHFFFAOYSA-N 445.357 4.881 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C3CC3)CCC2)c1 1534704898 QQPLXGQXEMMBFU-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C#C[C@@H](NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl)c1ccc(Cl)cc1 1535469246 YKCRHWPMEWJVCJ-CQSZACIVSA-N 430.740 4.545 30 10 IJEE Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)sc2ccc(C#N)cc12 1537459529 CXMBROYKECXJCS-CTNGQTDRSA-N 439.968 4.537 30 10 IJEE O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCc2c1cccc2C(F)(F)F 1538200185 BRYYHLBQXXNFPY-UHFFFAOYSA-N 444.310 4.647 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1539078693 DWOKXZYFYABYOU-QHCPKHFHSA-N 436.600 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCC[C@H]1CC 1539301600 RPOUWWXJJFQMGI-IRLDBZIGSA-N 426.568 4.624 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1539498338 SKIBMKWBVNDXPJ-KRWDZBQOSA-N 444.004 4.568 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](C)C1 1539578671 BKPYTJPETKUIGR-GOEBONIOSA-N 435.366 4.572 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCCc1ccccn1 1539580169 HGVVREDPDPKCFD-UHFFFAOYSA-N 446.780 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1c(F)cccc1Cl 1539628075 MYEIPRXZZUFNJJ-KKSFZXQISA-N 443.954 4.694 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2cccs2)N(C)C)CC1 1539881908 OHPCYSXERPSGJE-HXUWFJFHSA-N 437.613 4.721 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(SC)c2)CC1 1539882359 IXKKDVWLQCRGFY-UHFFFAOYSA-N 426.977 4.561 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCCOC(F)(F)F)CC1 1539896623 POSKCPSCHFQNKE-UHFFFAOYSA-N 438.494 4.748 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1539940199 OOTMPQSQAMAOJI-WMTXJRDZSA-N 444.627 4.927 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CO)CC1)c1ccccc1 1539940602 SWFDXAJYIILZKP-OAQYLSRUSA-N 437.975 4.562 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2sccc2C1 1540037245 GAEJSMRDRFVJMF-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1540039692 FEIVWYIJAGHMBK-JOCHJYFZSA-N 445.007 4.835 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCc1nccnc1C 1540146827 JYTWALOMSAUSOO-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cnn(CC(C)C)c1C 1540164244 KOGAQDVPCCYQKE-UHFFFAOYSA-N 429.572 4.814 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 1540550022 FRHBYZMIXCQHDN-RPBOFIJWSA-N 445.950 4.869 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cccnc1Oc1cccc(Br)c1 1543531084 DQZAQZDMTLFQBH-UHFFFAOYSA-N 436.265 4.963 30 10 IJEE C[C@H]1C[C@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)C1 1543549879 BGCJCYCMUCXDNR-KBPBESRZSA-N 446.502 4.823 30 10 IJEE C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1544842741 ANHYZCIAODZAHV-KRWDZBQOSA-N 431.517 4.963 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1544936951 JDSXXVHLVUBBPI-SFHVURJKSA-N 433.335 4.570 30 10 IJEE C#CCN(CC1CC1)C(=O)CCn1nc(-c2ccc(Cl)cc2)n(CCCC)c1=S 1545860383 NMUBMFMVYPZCQF-UHFFFAOYSA-N 431.005 4.796 30 10 IJEE CN(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)c1ccsc1 1552748614 CMCPSMSNPIKBQF-FQEVSTJZSA-N 441.004 4.703 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1ccc(Cl)cc1 1556907179 GPQUHYXOHSFCLV-HXUWFJFHSA-N 428.879 4.573 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2ccc(OC3CCCCC3)cc2)cc1Br 1561207382 FWYWUIGHOGXXFE-UHFFFAOYSA-N 449.370 4.511 30 10 IJEE COC(=O)c1cnc([C@H](C)NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)s1 1562811997 GGOWZKACVKKZQF-ZDUSSCGKSA-N 438.534 4.835 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(OC)c(NC(C)=O)c1 1562928935 BFLLHJBKJLRKKF-UHFFFAOYSA-N 434.290 4.625 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](C)CC2)c1 1583928333 GVGZRINFAMHVCP-SFHVURJKSA-N 447.000 4.984 30 10 IJEE CC(C)c1ccc(C[C@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)cc1 1584338809 AVDGSKKWMSPWAR-GOSISDBHSA-N 441.369 4.914 30 10 IJEE CNC(=O)Nc1cccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1 1584709675 GSIVWERZUOUTSV-UHFFFAOYSA-N 437.315 4.980 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1c(-c2cccc(Br)c2)noc1C)C(C)C 1585129417 UVGIMHZRCXIJRI-IBGZPJMESA-N 446.389 4.841 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1587656430 IHJCVBHKCVPUGC-FBLLAGFSSA-N 433.644 4.769 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)c1nccs1 1587750153 SMFWMFIHERIIHL-IBGZPJMESA-N 445.596 4.631 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1587777734 PKXKRERRIJKDET-GGAORHGYSA-N 439.673 4.825 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1587879733 ZOHAEAHSHKMDEN-GOTSBHOMSA-N 436.600 4.671 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(C)ccc1F 1589124850 CEGSJMFGEZNSLX-TZIWHRDSSA-N 444.620 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@@H](CC)C1 1589496056 WAAVHHVZFUUTDB-IHPCNDPISA-N 433.021 4.912 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)[C@@H]1C 1593825619 BRUCRUFLUDLVPK-RYUDHWBXSA-N 445.789 4.929 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1594522198 ZEALXVGHOBJDNG-JOCHJYFZSA-N 436.556 4.939 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1594829574 LQVHARYMVRVEKA-RTBURBONSA-N 433.021 4.909 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCc2sccc2C1)C(C)C 1595166202 RARVRFKADVZRRL-JOCHJYFZSA-N 448.640 4.663 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1)C(C)(C)C 1597001201 APTFMTPUBBAZIA-QGZVFWFLSA-N 436.371 4.876 30 10 IJEE C=CC[S@](=O)(=NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 1603510714 PGKBADLEUUWSEJ-MUUNZHRXSA-N 432.954 4.524 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1608088491 ARXNVNXBNXPSCA-SQHAQQRYSA-N 448.659 4.704 30 10 IJEE CC(=O)Nc1ccc(CN2CCC(Nc3c(C#N)cnc4c(Cl)cccc34)CC2)cc1 1612403847 GLRWSRAEBJDNJQ-UHFFFAOYSA-N 433.943 4.795 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)cc2n1 1617520477 JQZBKDYPJABWAV-QFIPXVFZSA-N 429.442 4.829 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1617905119 COVKDJJTYXZGQP-UHFFFAOYSA-N 434.540 4.926 30 10 IJEE C#C[C@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 1622180464 SNCJRANHIHLDRP-INIZCTEOSA-N 433.154 4.550 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ncc(Oc3ccccc3)cn2)cc1C 1623614085 GMRDAFZNRKRJQN-UHFFFAOYSA-N 438.491 4.915 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(N3CCCC[C@H]3C)ccc21 1624706053 DVRYKIJOCNCQCF-KNQAVFIVSA-N 439.600 4.651 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(-c4ccc(Cl)cc4)ncn3C(C)C)cc2C1=O 1626538737 HXSOCQUQBMGHRK-UHFFFAOYSA-N 448.910 4.819 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c1 1627583318 XTGFDTNGPMVIKZ-GTCCEBARSA-N 444.984 4.640 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 1631792581 MBDHCRJSDWMGBP-UHFFFAOYSA-N 446.469 4.718 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)[C@H](C#N)C1 1633662168 GPICKMJJJTXFNW-OXQOHEQNSA-N 443.906 4.635 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccc(Br)cc1NC(=O)c1ccc(OC)cc1 1635286256 KCBJTDMLDHXOSN-INIZCTEOSA-N 431.330 4.795 30 10 IJEE C#C[C@H](NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1637345996 ZRKBBKJWBXJJAB-SFHVURJKSA-N 433.430 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN(C)C(C)C 1649539331 LAKADJDPFPYOIF-HXUWFJFHSA-N 432.616 4.541 30 10 IJEE Cc1cccc([C@@H]2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)C2)c1 1658219607 DJUQOSZVPVUNJA-HSZRJFAPSA-N 444.554 4.900 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1F 1666392805 DTJNLKSTKRGNCN-UHFFFAOYSA-N 446.360 4.883 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)cc(OC)c1)c1ccc(Br)cc1 1669875534 ACSCYVUGTCOSKI-MRXNPFEDSA-N 438.119 4.716 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2cc(C(=O)OC(C)(C)C)ccc2Br)c1 1670559021 GZIIFFNCDNGQMY-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 1670754102 CMLZUNSRVNEBFR-MRXNPFEDSA-N 446.857 4.547 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 1671072041 DGBNJTXBPWUMMT-SFTDATJTSA-N 429.923 4.981 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccccc1OC)N1CCCC1)[C@@H]1CCCc2ccccc21 1675179648 AEALOERICHRRKH-JWQCQUIFSA-N 431.580 4.555 30 10 IJEE C#CCN(C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)[C@@H]1CCCc2ccccc21 1677681599 BPGZRNHJOMVVJJ-RUZDIDTESA-N 446.591 4.774 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC 1678354097 AJGZOAXIMNHASW-UHFFFAOYSA-N 429.948 4.774 30 10 IJEE C=CCn1cc(CNC(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)nn1 1680832626 YPEUYXVPAUQETP-UHFFFAOYSA-N 448.365 4.507 30 10 IJEE C#C[C@H](NC(=O)N1CCOc2cc(Br)ccc2C1)c1ccc(Cl)cc1F 1683689723 RKKHMWWELSLLHV-KRWDZBQOSA-N 437.696 4.520 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC 1686594969 WMRHWCYGDWGLCH-LJQANCHMSA-N 431.577 4.601 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1689949809 SELSLLCHWUZDAR-HUUCEWRRSA-N 428.405 4.910 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN1CCCC1 1690059628 UHTFNOFHCSVJFH-IBGZPJMESA-N 444.023 4.653 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2CC(F)(F)C2)CC1 1690367089 AWKITMMSEVRICS-UHFFFAOYSA-N 429.334 4.971 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCc2ccn(C)n2)CC1 1690369799 YZYCILVOONMGHL-UHFFFAOYSA-N 434.588 4.503 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2csc(COC)n2)CC1 1690399395 VVRNRLWMUDAVKH-OAQYLSRUSA-N 437.613 4.874 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690456363 FCFABWXNPDCPJZ-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690477072 YOZPCSJZZKNTBU-CQSZACIVSA-N 445.892 4.777 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1690602446 PYMFRSCORXHZBO-UHFFFAOYSA-N 439.604 4.694 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2=CCCCC2)C1 1690691575 GYBBDSXAUNYWKY-NRFANRHFSA-N 438.572 4.634 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1690744306 MDRPBVRJOFHBEM-ROUUACIJSA-N 433.647 4.588 30 10 IJEE CC(C)(C)OC1CC(CCn2c([C@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)C1 1691286751 DHUMGLYRLNNYOW-XVAXZDLZSA-N 429.609 4.634 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCO[C@@H](C)C1 1695729245 HDUMHKFZSJPXNT-ICSRJNTNSA-N 435.597 4.762 30 10 IJEE C#CCCCCn1c(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1C(C)(C)C 1705521477 CMGNYIMTXPTINE-IBGZPJMESA-N 434.506 4.976 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1cc(Cl)ccc1OC(F)F 1705596656 KJOASFZOCPDKTF-UHFFFAOYSA-N 432.902 4.702 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)c1ccccn1 1705604548 OIXNWVZCGVELIS-GOSISDBHSA-N 437.975 4.904 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(C)C 1705620749 FJTWWNPOPIBGEC-UHFFFAOYSA-N 436.579 4.601 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N(C)C1CC1 1705668221 HEMCKWVYSZDHQE-NYUJMHJJSA-N 435.616 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc2ccccc2s1 1705711248 FLDQALNIVNAKMC-DEOSSOPVSA-N 440.613 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N(C)C)CCCCC1 1705711944 VOOSCSNHDKZOAB-UHFFFAOYSA-N 449.441 4.703 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)N(C)C2CCCCC2)CC1 1705762496 AQIWBABPQRXGJB-QHCPKHFHSA-N 435.616 4.768 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCN2CCCC)CC1 1705778601 CJVDJZNLQGVOMJ-DEOSSOPVSA-N 432.616 4.874 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1705796329 CPBZTVSCZJAGJM-FPOVZHCZSA-N 439.604 4.504 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS1 1705799072 LBYQFRPSZQIVDX-KRWDZBQOSA-N 438.601 4.672 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C2CCC1(C)CC2 1705817609 OKACWMAAUNKGMQ-BHWOZTKKSA-N 429.609 4.880 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C)(C)CC1 1705818373 HYEPJFKYWVHKPP-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@H](F)C1 1705863777 FUFSBJKNQUZXKU-YDHSSHFGSA-N 448.608 4.711 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(OC(F)(F)F)cc2)C1 1705914378 ABPZDFXSQLVZCG-QFBILLFUSA-N 438.494 4.714 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)Cc2ccc(OC)cc2)C1 1705919806 KZKSCUIKWVSIDV-XMSQKQJNSA-N 436.556 4.515 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOC(C)C)c1C 1706978534 GOICAXFXFUAPPA-HYBUGGRVSA-N 425.577 4.590 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)on1 1708696907 CPLZRNYITDBHRJ-UHFFFAOYSA-N 447.568 4.850 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1710533829 GLSYZFNDWQCQIO-SSTJLMRISA-N 437.588 4.849 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1CC 1722314058 HIXMDXDJADUJKK-KNQAVFIVSA-N 446.599 4.664 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2cccc(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 1722323451 UDTQLFDREZKBRE-JYFHCDHNSA-N 436.600 4.772 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCc1nc2c(s1)CCCC2 1722404321 YZYKANGOLMUAAV-UHFFFAOYSA-N 425.989 4.636 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 1722452126 RMUJQHJSISXZQS-YLJYHZDGSA-N 448.633 4.501 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(Cc1ccco1)C(C)C 1722456822 GRCXDLLTGWRSIL-UHFFFAOYSA-N 431.565 4.868 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC)CC1 1722485756 QZGBSLIAJQDBLM-UHFFFAOYSA-N 425.321 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccc(C)o1 1722503168 VVIRFKIZUMJVRU-WZONZLPQSA-N 440.519 4.515 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1722583657 QFRYJRYSPKVOCT-UHFFFAOYSA-N 425.621 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1722586557 ISPOGNBRUVPVTE-IBGZPJMESA-N 434.588 4.599 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722629764 NZJWQXORGOAYFA-QFIPXVFZSA-N 431.669 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1(CC)CCC1 1722657097 QNXSOVBMDXKQBB-UHFFFAOYSA-N 426.568 4.908 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CC[C@H]1C2)C(C)C 1722664855 IKTKUUPTKICULT-SESVDKBCSA-N 441.023 4.681 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](COCC)C1 1722734793 JFBJHYKRJHOAAZ-MSOLQXFVSA-N 446.686 4.913 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1727682600 DFXMCERQVFLFFZ-TXTKFYIRSA-N 434.632 4.952 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)COCC 1740650380 YQMXMBMLULDQBG-UHFFFAOYSA-N 438.641 4.801 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](CC)C1 1740778876 WIXIODOOFKCVHO-CQSZACIVSA-N 425.371 4.755 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2N(C)C)CC1 1740824556 OFBRYOHVEOTILL-NRFANRHFSA-N 446.599 4.701 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740843704 NXRBDEYLUDIYLD-QGZVFWFLSA-N 445.558 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1740846056 KZTSDACOOSKXIT-UHFFFAOYSA-N 440.617 4.648 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H](OCC)C(C)C 1740893483 LXGZHTZOAJVPFJ-GOSISDBHSA-N 439.373 4.920 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(C)CCCS2)C1 1740986371 YXSMGPWDTNWBJV-XXBNENTESA-N 444.670 4.946 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)N1CCc2ccccc2C1 1741191919 HLAPTKFSVLTGIS-HHHXNRCGSA-N 448.659 4.834 30 10 IJEE CCC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1745261545 CITQMNMEPCSEOB-NQIIRXRSSA-N 446.393 4.653 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCOC1CCCCC1 1748646725 CODGJAAJPKZESW-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC(c2ncc(C)s2)CC1 1748720997 BBWMOIIRZOGGAM-UHFFFAOYSA-N 449.624 4.830 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(C)(C)C 1749026752 PFBSZHYAXFWDED-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H]1CC=CCC1 1749032645 OIVRDARESZAKCS-LJQANCHMSA-N 433.581 4.759 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)=C(C)C1 1749122418 VSUPINOWZVLIKW-VQIMIIECSA-N 446.393 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN(C)[C@@H](C)CC 1749149956 KKRKNJKUDKMZAH-KRWDZBQOSA-N 434.426 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1CC(c2ccccc2)C1 1749165761 MZXFWCQARHHNPF-UHFFFAOYSA-N 449.624 4.866 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1749571761 QKLIIOYJCFTSDK-DEOSSOPVSA-N 442.611 4.821 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1749640827 IOXIOUDFNGKFEY-UHFFFAOYSA-N 439.648 4.897 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749752676 YUCBRSQQHKBWLL-HXUWFJFHSA-N 425.602 4.597 30 10 IJEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC2CCCC2)cc1C 1751564667 CUUROXXOMXULOD-XMMPIXPASA-N 425.552 4.886 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(F)(F)F)CC1 1760138696 GHYUYGFZTFDNGD-UHFFFAOYSA-N 426.433 4.729 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](Oc2ccccn2)C1 1760150228 WJGIWRKVLPDURD-KRWDZBQOSA-N 442.350 4.718 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](SC)C(C)(C)C 1760226822 ZPSFBVVSEPWQHK-KRWDZBQOSA-N 435.435 4.945 30 10 IJEE C#CCSCCn1c(N2CCC[C@@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1760286473 MBCDREJXTYTVPW-LJQANCHMSA-N 448.558 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 1760291337 LAEATXFKALAXNO-FGZHOGPDSA-N 426.973 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C1CC1)N(C)C 1760291677 YCRUPVVFUJHODE-DENIHFKCSA-N 432.399 4.584 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760301599 FJZPAALKILWNGM-SLFFLAALSA-N 445.405 4.591 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1760336949 BGYWPADZZFQXIL-SFHVURJKSA-N 448.995 4.684 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCSC2)CC1 1760396876 JXVSKQJAZZNEDC-ICSRJNTNSA-N 442.629 4.972 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCSC(F)(F)F 1760483406 OIPRVEYTXMVZOL-UHFFFAOYSA-N 437.466 4.925 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](OCC)C1 1760508173 LTQNALDYHDIGAL-CQSZACIVSA-N 425.758 4.552 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(C)(C)C)C1 1760563178 JXUSQQIIKUVXQP-KRWDZBQOSA-N 430.618 4.754 30 10 IJEE CC(C)(CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1760809582 BMEGYICWFPDDIN-SFHVURJKSA-N 446.020 4.779 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=Nc1cccc(C(=O)O)c1 1772734359 FALLCUBNJJTADW-KHSCPFDSSA-N 438.505 4.582 30 10 IJEE C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4C(=O)C=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C 1857787804 FYASCXLQDJNFAF-YOQXDENISA-N 428.613 4.893 30 10 IJEE CCOc1cc(N2CCOCC2)c(OCC)cc1Nc1nccc(-c2ccccc2)c1C#N 1859841110 HKNHPTFXQWHPBF-UHFFFAOYSA-N 444.535 4.998 30 10 IJEE COc1ccccc1C(=O)N1CCC(c2ccc(OC(=O)c3cccc(C#N)c3)cc2)CC1 1860691299 XEWGWNHTLHGSCA-UHFFFAOYSA-N 440.499 4.806 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1 1862385199 JTCRZVCPJOFTCW-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862466985 FPFWYEAMKYZIAP-QGZVFWFLSA-N 441.327 4.887 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478908 TUXVLOQLLMENGS-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(O)c1 1862524021 VOEKWAJPFRRJAG-SFHVURJKSA-N 430.298 4.533 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(F)c1 1862627798 QEXUPRCVNNRRKC-GHNFSYLKSA-N 437.467 4.711 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2C)c1 1862699036 PYOXIGCKNIDXTL-QFIPXVFZSA-N 433.529 4.886 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCc3ccccc3)C2=O)ccc1F 1863469650 SQTGZGSIUUOBRX-UHFFFAOYSA-N 439.490 4.831 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCCCCC(=O)N2CCCC2)c1 1866218714 GXVAHRYJVBMPAB-UHFFFAOYSA-N 431.536 4.609 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866724794 PNPBPDLZKLGUKX-ZEQRLZLVSA-N 449.620 4.935 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 1870160722 GXYMQJRYDBQPEF-UHFFFAOYSA-N 444.583 4.530 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870299144 XGZWPFJZWLIIFL-UHFFFAOYSA-N 447.535 4.532 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN(CC)CC 1870681086 JAYSFUYGIBHQMZ-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE CCCCCCCOc1cn(Cc2ccccn2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870838198 SWTWLZGJGFWVSI-UHFFFAOYSA-N 449.551 4.982 30 10 IJEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871395336 OBERVGTZYURPSI-OOGPTDTPSA-N 431.891 4.719 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCCN4CCCCC4)ccc3C1=O)cn2C 1871451385 SFSFUNWGZMWPEM-QFEZKATASA-N 432.520 4.668 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871985681 IQTQEQSODODASH-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872182988 FBEVRRCUBKLOOR-SIKLNZKXSA-N 438.634 4.837 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)c1ccccc1)S(C)(=O)=O 1872216458 WJKAWJNSVAHNCJ-XMMPIXPASA-N 434.561 4.789 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)C(C)C)S(=O)(=O)CCCC 1872278143 ISWCSFHIDBQUBG-XMMPIXPASA-N 442.625 4.858 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1O 1874217387 KLNVAFUMTRFQLF-LSHDLFTRSA-N 432.933 4.533 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)cc1 1874306437 WWOXZXLHYWDGPW-CVKSISIWSA-N 435.528 4.714 30 10 IJEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2nc(O)c3ccccc3n2)cc1 1874440369 XPDBCUPZBRCROD-AFUMVMLFSA-N 446.580 4.998 30 10 IJEE CC(C)(C)Cc1nnc(SCCCO)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874440526 GAFOCOCGSZNZTE-KOEQRZSOSA-N 438.597 4.802 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(N(C)C)cc1 1874477139 KWAMZQPUUKZVTO-HZHRSRAPSA-N 438.557 4.769 30 10 IJEE CCCOc1c(Br)cc(/C=N/n2c(CC(C)C)nnc2SC)cc1OC 1874486229 HYIQAVKOOUBJLW-RGVLZGJSSA-N 441.395 4.641 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1Cl 1874504954 JQRROGJKEICOMF-FSJBWODESA-N 431.924 4.636 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1)Nc1nccs1 1874571445 NNPMBKNXKHEJGW-GQCTYLIASA-N 443.868 4.618 30 10 IJEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 1874604331 HBMGALDWXHVXPL-VQHVLOKHSA-N 427.453 4.862 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1Br 1874611694 PWPZHTVVZBMDKK-ZRDIBKRKSA-N 446.341 4.601 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)c([N+](=O)[O-])c2)cc1 1874617074 IWJHYBDQWNAAAW-NTUHNPAUSA-N 440.496 4.527 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCCCO)c(OC)c2)cc1 1874617412 ZVXAQAIMYXQXJW-BJMVGYQFSA-N 449.341 4.904 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2cc3ccccc3n2-c2ccccc2)CC1 1891418227 IAVWUMJCSZKUII-UHFFFAOYSA-N 435.531 4.638 30 10 IJEE CC[C@@H]1CC[C@@H](C#N)[C@@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1974789333 BDPQMMPMTMCCPD-JIQZGXBJSA-N 432.520 4.944 30 10 IJEE CCCCCC#CC[C@@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2024371341 SVPXGHQEWFPKJM-RPWUZVMVSA-N 429.649 4.964 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCB3OC(C)(C)C(C)(C)O3)C2)CC1 2044523620 XMVSHXXNEDMZME-FQEVSTJZSA-N 436.446 4.828 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cc(Cl)ccc1Br 2060555331 KQBYSGQJRAKACS-ZDUSSCGKSA-N 430.730 4.628 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2067829003 XURDYRSLOCKFJD-AOJNWGRGSA-N 446.632 4.524 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Cl)ccc2Br)NC)C1 2077079645 JAJPKOAQWKMKAM-INIZCTEOSA-N 429.786 4.847 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 2078848340 SROOGHMBBRMGJU-YADARESESA-N 445.560 4.976 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079873653 SKTTYRNQILJYEA-IBGZPJMESA-N 447.320 4.943 30 10 IJEE Cc1ccc(C#CCCO)cc1C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2095884146 WSUVELCVYPFMQA-UHFFFAOYSA-N 440.587 4.503 30 10 IJEE N#CCCN(c1ccccc1)c1ncc(I)cc1Br 2133374534 MDDUGLNVMZSJDW-UHFFFAOYSA-N 428.071 4.500 30 10 IJEE CCC[C@@H](C#N)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2174819813 QGDRXBWNOVBNAP-HNNXBMFYSA-N 438.366 4.637 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186707390 DWFQMSAXZQDTLE-SFHVURJKSA-N 442.254 4.713 30 10 IJEE C=CCC1(Oc2ccc(N)c3cc(Br)cnc23)CN(C(=O)OC(C)(C)C)C1 2198796327 OCZCQXNWJQFAAO-UHFFFAOYSA-N 434.334 4.524 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COc2cc(Br)cnc2C#N)(C(C)(C)C)C1 2198820769 ULJNSSNSNBCNNX-HXUWFJFHSA-N 438.366 4.768 30 10 IJEE CNC[C@H](C)CC#Cc1sc(Br)c(Br)c1Br 2212188043 ANLUKRQZKWYWNX-SSDOTTSWSA-N 430.003 4.633 30 10 IJEE CC[C@@H](C)[C@H]1CSC(=Nc2ccc(Br)cc2I)N1 2223680186 ZNWOJGJWLVMERM-PRHODGIISA-N 439.160 4.792 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1cccc(CNC(=O)OC(C)(C)C)c1 2235721248 AVRMIOVXFOCOBM-HXUWFJFHSA-N 429.358 4.786 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@@H](N)C#Cc2ccccc2Br)CC1 2235729151 MOFCSWJZVZNDTR-SFHVURJKSA-N 439.369 4.505 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1cccc(NC(=O)OC(C)(C)C)n1 2235733497 UOJXJJJNPMVCMK-QGZVFWFLSA-N 430.346 4.893 30 10 IJEE N#Cc1cc(F)cc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 2243910815 KVZZUDPAEQKLGE-UHFFFAOYSA-N 443.478 4.955 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C1CCCC1 2247817953 RWGDEFCJZJAXKO-UHFFFAOYSA-N 425.403 4.941 30 10 IJEE Cc1cc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2268651571 PDHITGLECQGXAC-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE N[C@H](C#Cc1ccc(Br)cc1)c1cc(Cl)ccc1I 2278796059 LGKWKUWABXNXCI-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1sccc1I 2278818403 RMVSNXDVSHWHNW-AWEZNQCLSA-N 446.151 4.818 30 10 IJEE Cc1cc(Br)c(O)c(C=NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 2294013927 MISSAAPPMRTVHI-UHFFFAOYSA-N 446.223 4.921 30 10 IJEE FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C=CI)C(F)(F)F 2294787003 PXYZPNZRASQXPV-VKHMYHEASA-N 437.974 4.970 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](CC1CC1)NC(=O)OC(C)(C)C 2296218293 CLTRMNFAGCNVIH-UXHICEINSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2296219541 PIDPRPWORZVJDB-YVWKXTFCSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@H]1C 2296285465 AWQRCANCXCMAJQ-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@@H]21 2296289126 OGOIOKVZGCGKIN-NEWSRXKRSA-N 432.358 4.938 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2296299222 SIYZUUWJDPRHJX-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2296309940 CJZWHGAPQPQBOF-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccn(C2CC2)n1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2318161286 JXKIMMNTUKHRLK-JOCHJYFZSA-N 436.600 4.765 30 10 IJEE N[C@@H](C#CC1[C@@H]2COC[C@@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319160112 VYDSSVWVMPITHC-GSDHBNRESA-N 425.528 4.740 30 10 IJEE COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1ccccc1 2322312404 IAEBQRGDLIYWJH-UHFFFAOYSA-N 432.432 4.517 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)c(OC)c1 2322781429 FODKPOBVJIFABC-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2323582730 OXXUZQJYYTZIEA-UHFFFAOYSA-N 428.517 4.692 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)NC3CCCCC3)c2C)C1=O 2325327456 WLQYFFSKEQSPMS-UHFFFAOYSA-N 435.520 4.838 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)c1ccccn1 2325715768 MXCZHBXGUILCJV-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(OC)c1 2325952248 JNJVSHFVWQYZKZ-UHFFFAOYSA-N 443.370 4.800 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2327649393 FTMTZNWWIQJXIS-UHFFFAOYSA-N 443.916 4.969 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2328567195 FBDIFDMYFNJTMO-UHFFFAOYSA-N 437.525 4.726 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2328790081 FHDVEMOUSVRIKX-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE CCCOc1ccc(C=Nn2c(COCc3ccccc3)nnc2SC)cc1OCC 2329300796 GXEBPJSPRSFFBR-UHFFFAOYSA-N 440.569 4.787 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc2ccccc12 2329436349 MDVFZXRPMDCCOF-UHFFFAOYSA-N 444.560 4.786 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)ccc1O 2330961512 HJCZZGHZRVKAJP-GOSISDBHSA-N 444.944 4.672 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 2330961540 MGYOOQYALFFUDM-GOSISDBHSA-N 443.916 4.866 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1O 2330994126 UAVLWGRBNMBDDQ-SFHVURJKSA-N 444.944 4.672 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1OC 2331081389 VPDTVCUPACQSSN-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br 2331092743 AWNQWVNLGLMGOW-UHFFFAOYSA-N 425.225 4.565 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)[C@H]1CCCO1 2331375962 BGEJYCMXRSTBND-HSZRJFAPSA-N 436.504 4.721 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)cc1 2331717587 NZOTYINXYAXRFC-UHFFFAOYSA-N 448.596 4.615 30 10 IJEE Cc1cc(C#N)ccc1OCc1ccc(I)c(Br)c1 2349923187 MKJQSXCWHSZNBG-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE C=C([C@@]1(OCCC(=O)O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1)[Si](C)(C)C 2370745045 SKJMEWCVAVBHRB-NFBKMPQASA-N 433.621 4.717 30 10 IJEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3csc(N/N=C/c4ccco4)n3)c2)C1 33960043 YCZOWDHLPBNCQX-ZZPFTBFSSA-N 444.582 4.516 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCOC)cc1 39827523 XNGATURUVKZGEX-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(O)c(OCC)c1 39913396 AQURXPPOKREUNN-HXUWFJFHSA-N 425.868 4.590 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(/C)c2ccccc2)n1 59020346 ZPVSZPZIBPIRHA-IWIPYMOSSA-N 440.598 4.874 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1cccc(F)c1 100263361 OLFJRRSFJADOCP-ACNSNUFOSA-N 426.300 4.723 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(OC(C)C)c(Br)c2)C2=C1CCCC2=O 169930026 VPWBWQXIKVWQJA-IBGZPJMESA-N 437.403 4.885 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1cccc(C)c1 169971107 QRBLFKAVLHUJQZ-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1cccnc1 170005200 JJMLTUDZFUYZHT-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)cc2)c1 170057001 IZLCAKIRYHTQIP-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(OC)c2)cc1 170118066 GNCVJZLCZCWHTJ-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1C 170133193 KTQRONJJTBAEQX-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)c(OC)c1 170139051 YCOZQYLFPRRJMX-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 170157029 PVFUULRYCMMIOJ-NRFANRHFSA-N 433.485 4.822 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)cc1 170186083 ZPLKIVMCIDXPHH-UPCLLVRISA-N 440.499 4.750 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)cc1 170187810 NYWMGGMSFFJYIB-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 170231191 GYQZFOZRDIYXDC-HXUWFJFHSA-N 449.304 4.623 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(Cl)cc1 170235658 LDMZPNCOKAXLEJ-JOCHJYFZSA-N 439.939 4.834 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1)c1cc2ccccc2o1 170296723 ANGITNPGHBVLHR-QFIPXVFZSA-N 431.419 4.986 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(C)o1 170299399 YSYILLFYWXTOOA-NRFANRHFSA-N 439.414 4.966 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(C)o2)cc1 170300844 RQYKYJVPKYMOQP-HSZRJFAPSA-N 429.472 4.868 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(F)cc1 170313926 PDGVREFNLJLSGE-GOSISDBHSA-N 438.436 4.887 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170338415 BURLSSRTHQGXNL-QFIPXVFZSA-N 448.544 4.996 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(N(C)C)cc2)c1 170446787 PUPVDWSNVISMKI-HSZRJFAPSA-N 446.503 4.523 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCC(=O)c3ccccc3)cc(C)c2c1 170508818 AQPIAXPKCJVNGC-UHFFFAOYSA-N 437.503 4.819 30 10 IJEE Cc1nn(C)c(Cl)c1C=NOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 255004292 YBFISIFEOIGAHU-UHFFFAOYSA-N 427.675 4.843 30 10 IJEE C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CCC(Oc2ncccc2C#N)CC1 437102112 FTTIIFVVARFQSW-ZLPCBKJTSA-N 446.473 4.669 30 10 IJEE N#CC1CCC(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)CC1 441131692 CFEGZPMNJZMQKT-UHFFFAOYSA-N 425.529 4.616 30 10 IJEE N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 480104263 HFJWLAPMZCATRX-QGZVFWFLSA-N 439.441 4.936 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](c3ccccc3)c3ccncc3)cc2)c1 490042991 KHFCDONNDQFQNG-RUZDIDTESA-N 448.482 4.590 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 495106794 WUUZRBWEXXUFMF-UHFFFAOYSA-N 441.557 4.602 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 501148420 MEAIZKDCHMUTNN-UHFFFAOYSA-N 434.452 4.969 30 10 IJEE N#Cc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2cc(F)ccc2F)C1=O 526659112 JCDGUVIAKAZMHX-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 549666418 XICDEEPVIAARTF-UHFFFAOYSA-N 439.560 4.501 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCO1 550049412 PWUIZHBEZGTVBY-XLIONFOSSA-N 443.979 4.771 30 10 IJEE CCOc1ccc(-c2nnc(S)n2NN=Cc2cccc(OCc3ccccc3)c2)cc1 585657325 GQYGEDGNNBBULC-UHFFFAOYSA-N 445.548 4.789 30 10 IJEE O=C(c1ccc(Br)cc1)[C@@H](OS(=O)(=O)c1ccccc1)c1ccccc1 585667544 UEHFQRWTHJZEPQ-FQEVSTJZSA-N 431.307 4.779 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CC#N)c1ccc(Oc2ccccc2)cc1 586258504 LLCFUTLNWODDGI-UHFFFAOYSA-N 428.897 4.860 30 10 IJEE Cc1cc(C#N)nc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)n1 587068399 AXJYEEYILLXEHK-UHFFFAOYSA-N 440.319 4.757 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 608941645 VWDFFWPJCOKUFK-QTJGBDASSA-N 447.535 4.583 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 615971895 YEUBUKVMJBYVHJ-UHFFFAOYSA-N 446.448 4.799 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)[C@H](C#N)C(=O)N[C@H](CC)c3ccccc3)c2)c1C 787046463 PZPIMMRFTIJLNY-BJKOFHAPSA-N 428.536 4.642 30 10 IJEE N#CC[C@H](CC(=O)OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccccc1 795990864 MJOFNYPJWLROGG-ZEQKJWHPSA-N 438.527 4.791 30 10 IJEE CC(C)(C)OCC[C@@H]1NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 804200578 NUPGKBVXOOTJLG-QUCCMNQESA-N 425.916 4.625 30 10 IJEE CC(=O)N(c1nc(C=NNC(=S)Nc2ccc(F)cc2)cs1)c1ccc(F)cc1F 915927513 VMXVIQRKDOCWMF-UHFFFAOYSA-N 449.483 4.566 30 10 IJEE CCOc1ccc(NC(=O)CCSc2n[nH]c(NN=C(CC)c3ccccc3)n2)cc1 1083844851 AFDNZDDTNKNTPZ-UHFFFAOYSA-N 438.557 4.551 30 10 IJEE CCOc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)c1 1084527192 BXXNDHKTAQXBDN-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)OC1CCCCC1 1084594908 HCVWIJDQUAELMH-UHFFFAOYSA-N 428.345 4.526 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCCC)cc2)SC1=Nc1ccccc1F 1084643292 OZIIZGGJKCBWAY-HXUWFJFHSA-N 441.528 4.761 30 10 IJEE C[C@@H](Sc1n[nH]c(NN=Cc2ccc(Br)cc2)n1)c1nnc(C2CCC2)o1 1084647512 ANYHQQADUUAGDN-SNVBAGLBSA-N 448.350 4.517 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSCc2cccc(C)c2)c(C(=O)OCC)c1C 1124757657 VOJYGXWYNHWOJN-UHFFFAOYSA-N 447.578 4.756 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O)c1ccc(C(F)(F)F)cc1 1127409927 DSIXHMYDHJVJFO-HXUWFJFHSA-N 442.437 4.925 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 1128546125 HIMBKUVTMDENTB-IAGOWNOFSA-N 434.754 4.971 30 10 IJEE COC[C@]1(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)CCN(C(=O)OC(C)(C)C)C1 1129225531 AMNBXMIWZSGVLZ-AQKDONEWSA-N 447.601 4.518 30 10 IJEE C#C[C@@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1129602463 RGZPWESDYOPGFN-HDXVLLOASA-N 430.976 4.850 30 10 IJEE COc1cccc([C@@H](CNC(=O)c2cc(C#N)ccc2C)c2c[nH]c3ccccc23)c1OC 1136093020 HXHOWDDPRIHYSJ-HSZRJFAPSA-N 439.515 4.927 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccccc2)[C@@H](CCC)C1 1137819157 LIIQDWZFFRPWDB-DEOSSOPVSA-N 444.579 4.564 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2ncccn2)cc1C 1142795784 NHPBLQTWEIYOJZ-KRWDZBQOSA-N 448.976 4.911 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(CCc3ccccc3C)[nH]n2)CCCN1C(=O)OC(C)(C)C 1144119448 GDPASYIATXZQFU-VWLOTQADSA-N 438.572 4.788 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCOc1ccc(Cl)c(Cl)c1 1178818211 YDSIYYLTBROYKF-UHFFFAOYSA-N 429.141 4.937 30 10 IJEE C=CCOc1c(Cl)cc(CNCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC 1183581033 CQRODUUQGGLXIZ-UHFFFAOYSA-N 429.731 4.949 30 10 IJEE C=CCn1c(O)nnc1S[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 1188970172 GWHNWVDYNXGDQQ-AWEZNQCLSA-N 448.495 4.542 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 1200506003 COACKCKTSRRUQI-IBGZPJMESA-N 435.446 4.789 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1214635585 RNNYQJBFUSZUJW-CALCHBBNSA-N 448.445 4.783 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1Br 1217007855 DSNWSAUWCPBJGM-UHFFFAOYSA-N 444.207 4.550 30 10 IJEE Cc1nc(NC(=O)N(CCC#N)CCCN(C)C)sc1Cc1cccc(Cl)c1F 1217989842 FPQSVMYNUMUVRK-UHFFFAOYSA-N 437.972 4.534 30 10 IJEE C[C@H](NC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1226074165 AKTGSIVIQIYHDG-FDDCHVKYSA-N 448.567 4.985 30 10 IJEE C#CCCCC(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 1264379534 OABCVRMPUKZKDY-UHFFFAOYSA-N 431.399 4.625 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)OCc2cc(Br)ccc2F)c1 1265377254 HKLGSRCTQQKSTJ-UHFFFAOYSA-N 430.229 4.989 30 10 IJEE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(c1ccccc1C#N)C1CCC1 1279121048 BQUNOFQZGQSEGE-QGZVFWFLSA-N 442.606 4.808 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCn1nc(C)cc1C 1286306384 SYBXHLDNMXQGSH-KRWDZBQOSA-N 443.020 4.585 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cnn(CC)c1 1286317899 VFSAFTVAHMXAAS-GOSISDBHSA-N 436.629 4.788 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cccs1 1286345746 QPSMZJFAXXZUEB-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1cc(C)cs1 1286511328 IWKFRNOLINFDHT-UHFFFAOYSA-N 440.638 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCSC(F)(F)F 1286569708 BUPWHULNYDWCIE-UHFFFAOYSA-N 438.317 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1nc2c(s1)C[C@H](C)CC2 1286578533 FNHIYBAJPNLDFK-OAHLLOKOSA-N 442.658 4.666 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](c2cccs2)N(C)C)CC1 1286648658 GUPMYFSTORCSBD-LJQANCHMSA-N 441.576 4.517 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1286680610 YXSDVXSWIZUJSP-HSZRJFAPSA-N 435.616 4.600 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1CCN(C(C)=O)CC1 1286681435 WENPNBYAUMUJNV-UHFFFAOYSA-N 448.615 4.868 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1ccc(C)s1 1286740815 XGQPVDSSGNJIFV-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CC1([S@](C)=O)CCC1 1286750198 SSKBULHQUOKPSD-LJAQVGFWSA-N 432.659 4.566 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286760074 JFVXZFBMWVTBAZ-IBGZPJMESA-N 449.624 4.974 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1286831235 WKDHPBKOZGTQDY-NZQKXSOJSA-N 439.673 4.954 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1288495112 CTVGBQLBIAKUNT-JTBPQFFMSA-N 441.626 4.623 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H]1CCCCO1 1292603207 GUCQVWFHKMRPIY-OFVILXPXSA-N 437.588 4.509 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])c1ccc(C)c(C)c1 1293123179 NYOQFCPVCZILDL-UHFFFAOYSA-N 434.496 4.909 30 10 IJEE C=CCN(CCc1ccco1)C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1295674597 XBWIMABWKZOGLV-UHFFFAOYSA-N 432.549 4.929 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 1295776070 YPYUKHMSJAPKES-MRXNPFEDSA-N 439.343 4.809 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC 1296313057 MSQXBJSOAKFUDP-NCZOVAKNSA-N 447.453 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1sccc1Br 1300292125 ISVBHMLEQJPZTC-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(-c2ccsc2)nc1 1300314176 UARJWXFWEKNGOY-INIZCTEOSA-N 449.530 4.777 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@H](F)C1 1300650569 VELCFOBYLNYCNW-ICSRJNTNSA-N 441.551 4.551 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C2CCC1(C)CC2 1300743254 JYPOGAXDODSJJK-UHFFFAOYSA-N 449.393 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1300893304 YKLSQIQIHSTZPN-RQTOMXEWSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)c(F)c1 1300901203 NEEPHNVNMNUNSJ-UHFFFAOYSA-N 436.304 4.765 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(F)(F)CC1)c1ccccc1 1301168450 POKCFUYKLCLZEI-OAQYLSRUSA-N 440.542 4.735 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1301195219 WASLZGXVRLSANG-JOCHJYFZSA-N 438.597 4.873 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1301201943 BNWYSTDXCZYUHC-OAHLLOKOSA-N 432.931 4.547 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301202575 LRDJEZCFAGKVAF-RBUKOAKNSA-N 428.552 4.655 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@@H](F)C1 1301338483 ZOGJOCNAKKDCAK-LEWJYISDSA-N 435.547 4.603 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2C[C@H](O)C[C@H]2c2ccccc2)cc1 1310165629 IERAFEXZSVGPDU-RDGATRHJSA-N 427.504 4.671 30 10 IJEE CC[C@@H](CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N)Oc1cccc(C(F)(F)F)c1 1310837470 AJDHQYYSDWSDPX-KRWDZBQOSA-N 434.462 4.931 30 10 IJEE Cc1ccc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(O[C@@H](C)CC(C)C)c1 1312292011 CSMACOOVUOFGNS-DHLKQENFSA-N 448.611 4.728 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](CC(C)C)OC)c1ccc2c(c1)OCCO2 1348530312 OXXLAIQAINQRDX-XMMPIXPASA-N 425.525 4.617 30 10 IJEE C=C1CCC(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(OCC)cc3)cc2)CC1 1351139105 YHOKZSRVZKQANR-UHFFFAOYSA-N 429.538 4.562 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(NC(=O)OC)cc2Cl)cc1 1351527580 CRPOQMSWFHXNBP-UHFFFAOYSA-N 427.888 4.585 30 10 IJEE C=CCC1(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)CCOCC1 1354694198 ZNHBICGXWXGFQR-UHFFFAOYSA-N 428.573 4.571 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)c1 1358007810 YQXBLAYJKHETPW-JOCHJYFZSA-N 426.516 4.772 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccncc1Cl 1359003894 ASOMNTJMKSMUMY-UHFFFAOYSA-N 447.926 4.673 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1359117625 KYCAWHOPOCUULF-UGKGYDQZSA-N 437.632 4.922 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCN2CCC)CC1 1359159162 ORTFZYCSQOTREM-IFMALSPDSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(Br)s2)CC1 1359163448 FMKDWPKWSTXLFV-UHFFFAOYSA-N 430.375 4.563 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCOC(F)(F)F)CC1 1359169005 QFJRVWPMCUFZBG-UHFFFAOYSA-N 426.508 4.962 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H](C)C1CCC1 1359216737 CJPQNDQFIGRZMC-ICSRJNTNSA-N 447.624 4.568 30 10 IJEE CCN(CC)C(=O)CCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1361274539 AKMIBAZVOWSSRV-UHFFFAOYSA-N 433.430 4.956 30 10 IJEE COc1ccc([C@H](NC(=O)COc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 1435675794 BATSQCOFHKMGSD-HSZRJFAPSA-N 440.421 4.870 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1 1435908885 KTAFGAYGGXJTQA-NRFANRHFSA-N 425.550 4.764 30 10 IJEE Cc1ccc(-c2nc(C)sc2CC(=O)Nc2c(C)c(C#N)nn2-c2ccccc2)cc1 1436520238 DLRXJIHQNIKSHU-UHFFFAOYSA-N 427.533 4.974 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 1454272159 YQJKGWBXDYNSPN-SFTDATJTSA-N 443.588 4.578 30 10 IJEE C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1457876043 DVJBCMYTWFNZQD-JTQLQIEISA-N 430.364 4.855 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1463836262 HLIHFSIOGSSWRR-SDXDJHTJSA-N 443.469 4.595 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)c1ccccc1 1464381581 PXXMWLOJRDXPAH-MRXNPFEDSA-N 442.915 4.953 30 10 IJEE CCN(CC)CCCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)c(C#N)c1 1467164824 FXFRUFPRWKJRPH-UHFFFAOYSA-N 428.964 4.986 30 10 IJEE C=CCn1c(SCC(=O)NC2CCC(C)CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472908426 ZVFGYFSGJAFMTN-PCKAHOCUSA-N 445.654 4.556 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1507563233 SEIARYGADIOYAX-RUZDIDTESA-N 435.572 4.674 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1507575342 DYSACYHPRZZETK-SFHVURJKSA-N 439.585 4.592 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCCSC 1507661559 ZIJYNAVTSXUPPJ-UHFFFAOYSA-N 445.636 4.959 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1507747528 DGZUFTQLCZBTIP-SFHVURJKSA-N 436.959 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCC=CO1 1507772435 PGXIGNGECGMSJG-HTAPYJJXSA-N 447.366 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCc2cc(OC)ccc21 1507821691 JELWBBWCTLLDCU-JOCHJYFZSA-N 448.615 4.671 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(C#N)o2)CC1 1507881533 WLGFRKVMQCLWBO-UHFFFAOYSA-N 438.329 4.685 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507928224 CKYJAOQOFPWRSL-HDICACEKSA-N 429.996 4.700 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1507942764 WETFKEMJZQQKNX-GOSISDBHSA-N 432.515 4.800 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1csc(C)c1 1507998732 TXNFVEONSIPOIO-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCc1coc(-c2ccc(C)cc2)n1 1508014260 SXLQCDIZOZZCSD-UHFFFAOYSA-N 428.540 4.668 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCC1 1508862523 DSHOSAYMLGSIHQ-URXFXBBRSA-N 441.023 4.849 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@H](F)C1 1515636849 ICCFWFNPWJEKQW-RTBURBONSA-N 439.560 4.955 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)c1 1519566652 CSCHEWFATSRIIV-UHFFFAOYSA-N 434.948 4.865 30 10 IJEE CSC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1519676771 HAGBXRLSQXPETL-NRFANRHFSA-N 437.613 4.827 30 10 IJEE C#C[C@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc(Br)cc1 1525054522 ODKLANCMYNWMQH-INIZCTEOSA-N 448.242 4.758 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(CN3C(=O)CSC3=O)c2)c1 1528207263 OCQOOUDFAMLJHJ-UHFFFAOYSA-N 440.524 4.710 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NC2(C(=O)NCC3CC3)CCCC2)cc1Cl 1533249047 CIAZTQFYMOAMFY-UHFFFAOYSA-N 437.927 4.573 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)c(C)cc1Br 1536348337 KTICJMDRRJASBX-UHFFFAOYSA-N 439.122 4.935 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Cc1ccc(Br)c(Br)c1 1537102406 ILNGMKZBAUMNGK-UHFFFAOYSA-N 427.136 4.604 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)CC1CC1 1539058133 BDIDQFKHXQKMHA-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C(C)(C)C)C1 1539526000 AXVWSPIGYDQAIA-HXUWFJFHSA-N 426.630 4.658 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)C1CCCC1 1539638397 YYCWQIIQDYDSAI-UZUQRXQVSA-N 430.543 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H]1CCO[C@H](C)C1 1539651614 IKWYOPQFURIUFX-WOJBJXKFSA-N 434.588 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1539906436 NVEHMOUEOCHRKN-HXUWFJFHSA-N 435.532 4.531 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C#N)CC1 1539974456 PWLPCCIQQCJESH-UHFFFAOYSA-N 444.377 4.716 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1Cc1cn2ccsc2n1 1540177013 KFROYHBDUOMYJO-UHFFFAOYSA-N 436.610 4.815 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1CSC 1540911917 GUWIREDRERIREQ-GOSISDBHSA-N 425.627 4.744 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1CCCc1nc2c(s1)CCCC2 1541171916 IFLFYJFCHPZJRN-UHFFFAOYSA-N 426.634 4.575 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCOc3c(Cl)cccc32)n(-c2cccc(F)c2)c1C 1559591724 AUSFZJMFIWFCJT-UHFFFAOYSA-N 438.890 4.596 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1cc(Br)ccc1Br 1562640508 RCXRMXQBPPLIBX-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=CC[C@@H](C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccccc1 1565558638 IMJUYHURGZKYTC-HSZRJFAPSA-N 435.568 4.953 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2C)c1CC 1568507665 FZAGTHQKOVAGNW-MRXNPFEDSA-N 432.952 4.718 30 10 IJEE CC(=O)CCc1ccc(OCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cc1 1585624232 BQSVWPDCEDYSTF-INIZCTEOSA-N 432.442 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCSC1(C)C 1588186598 ZEKCDCIUFYMAIO-JOCHJYFZSA-N 432.637 4.743 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC=C)c1ccccc1 1588200417 ORXRAYQTLLEJEA-QFIPXVFZSA-N 429.955 4.816 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1c1ccco1 1589427460 MDIIZLOYINDYFW-KRWDZBQOSA-N 431.309 4.851 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(F)(F)F)CC1 1589505860 OSIDTMUMEGDQPN-PKOBYXMFSA-N 438.494 4.997 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1593718433 YHBPLCWRZBPAJW-AZUAARDMSA-N 428.577 4.570 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1593878299 HAARJNMMMDMJAX-UXHICEINSA-N 434.943 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2ccco2)C1 1594504340 OVERUEDNZCKKHD-JOCHJYFZSA-N 436.556 4.651 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1594704374 VDNGJXOOXZPYFM-SFHVURJKSA-N 428.577 4.712 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1594829573 LQVHARYMVRVEKA-OALUTQOASA-N 433.021 4.909 30 10 IJEE CCO[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1)C(C)C 1616108900 GGUADZQYQDXGIA-SXWKCWPCSA-N 439.604 4.662 30 10 IJEE C#CCN(C(=O)c1cc(OC)c(OC)cc1Br)[C@@H]1CCCc2ccccc21 1617567120 QVQIVILNUZSISO-LJQANCHMSA-N 428.326 4.619 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)NCC2(c3cccc(F)c3F)CCCC2)CC1 1634246833 GTDUUHJAPYGBSL-UHFFFAOYSA-N 438.522 4.616 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(F)(c3ccccn3)CC2)s1 1634998747 VZXONCOIDMLTNE-UHFFFAOYSA-N 425.982 4.721 30 10 IJEE Cc1cc(NC(=O)CN(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)n(C(C)(C)C)n1 1644858057 CLVHOTXQMCGBRY-UHFFFAOYSA-N 433.531 4.911 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)c(Cl)c1 1648155393 DTEDBUDOTUROFF-UHFFFAOYSA-N 442.899 4.822 30 10 IJEE C=CCCn1cc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)nn1 1652071618 GVSIJHRSSBRLMC-UHFFFAOYSA-N 426.568 4.956 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)[C@@H]1CCCc2ccccc21 1652653264 MVZCTUTVHUFDGK-JOCHJYFZSA-N 434.337 4.992 30 10 IJEE CCCN(c1ccc(C#N)c(Br)c1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1655109967 YGWACSGOXHBQAL-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C=CCCC1(CNS(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)CCCC1 1665005523 DFVALCWKKPNRCV-JOCHJYFZSA-N 448.629 4.624 30 10 IJEE Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(OCCC(C)C)c1 1667858184 GPKYKTXHKZWNMS-UHFFFAOYSA-N 440.487 4.789 30 10 IJEE C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1Oc1ccccc1 1668001774 HVKPSXXBDQWCCA-GHTZIAJQSA-N 428.492 4.669 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2cc(Br)ccc2Br)cc1 1668520438 VPBSCMKCGTUTLL-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C#CCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCCc2ccccc21 1669653619 HWDAJBDHQMOKMU-QFIPXVFZSA-N 429.911 4.942 30 10 IJEE CCCc1c(NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)cnn1-c1cccc(C#N)c1 1670886910 DSNIQWCVPXDXHE-UHFFFAOYSA-N 439.560 4.718 30 10 IJEE CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)N(C)C)cc1 1671736125 GGKLVZNVTYTOTP-OAQYLSRUSA-N 443.389 4.944 30 10 IJEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2Oc2ccc(Cl)cc2)C1 1672925489 CMDKXRRBRPCYIG-UHFFFAOYSA-N 449.960 4.567 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 1673046119 LYBJMMBLNAYTBC-KXBFYZLASA-N 449.979 4.990 30 10 IJEE CN(CC(C)(C)C#N)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1675819021 FLJLCEZKBGOAPL-LJQANCHMSA-N 431.005 4.692 30 10 IJEE C=CC[C@H](NC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1)c1ccncc1 1679334736 MZTRRGKODAZZRY-IBGZPJMESA-N 442.357 4.988 30 10 IJEE C=CC[C@H](NC(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccncc1 1679335920 WWYXHWJLSVXBIE-HWBMXIPRSA-N 447.510 4.588 30 10 IJEE C[C@@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccccc1OCc1ccccc1 1679518218 HBWIZTJOYZEAPX-LJQANCHMSA-N 427.504 4.671 30 10 IJEE C=CCCCCNC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1680326287 LAZXMAKXSPHSKR-UHFFFAOYSA-N 443.588 4.717 30 10 IJEE N#C[C@@H]1CN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)CCN1Cc1ccccc1 1683406626 ADUMVIVVSFBWBE-RPBOFIJWSA-N 434.559 4.867 30 10 IJEE C#CCC1(NC(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)CCOCC1 1685446516 QXMHBKGDGYGTGE-CQSZACIVSA-N 448.386 4.505 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](c2ccco2)C1 1689882750 KOCBJBPNSYTEBU-FQEVSTJZSA-N 434.540 4.743 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1OCCC1(C)C 1690036924 GQTMDKUMWZIHJD-JOCHJYFZSA-N 436.625 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CC1 1690204451 KXUVKJKJDMSTFT-NTKDMRAZSA-N 441.620 4.575 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H]1CSC 1690250931 NFBXYQSEIJDSNT-GPXNEJASSA-N 440.657 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2ccccc2N2CCCC2)nnc1C(C)(C)C 1690252501 FPSBSVWECXHGBJ-GMAHTHKFSA-N 437.632 4.793 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690419987 HSPZIRLKVKCLNM-CVEARBPZSA-N 449.441 4.557 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@H](C)C1CCC1 1690460954 RMWGCFWOVATVOQ-GOSISDBHSA-N 434.588 4.563 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1690469046 BUBCUHYEYYDHJQ-UXHICEINSA-N 448.514 4.665 30 10 IJEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1690469082 CYRPWXOKFKWXGP-UHFFFAOYSA-N 439.585 4.650 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1690483675 UQEVZQSYYXHUSV-OXJNMPFZSA-N 434.943 4.509 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@@](C)(CC)O1 1690520180 MLHDCFLMJIIUDW-FOIQADDNSA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC(F)(F)C1)C1CC1 1690535726 GAKHXXBEJAYYQU-QGZVFWFLSA-N 429.515 4.737 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCNC(=O)c1cccc(C)c1 1690578203 SAJXHPMMQNQQGA-UHFFFAOYSA-N 435.597 4.538 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C)C2(CCC2)C1)C(C)C 1690580730 DYTOTFCWOWCIKV-FYYLOGMGSA-N 436.648 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1csc(CC)n1 1690590112 NVSWDHRFFABKNR-UHFFFAOYSA-N 444.402 4.953 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1nc2ccccc2s1 1690743695 DZLGUYLTXSCYFA-KRWDZBQOSA-N 429.615 4.685 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@@H]1C 1705477833 SMKGOZVGRSSRAK-SLFFLAALSA-N 444.023 4.631 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCSC2)C1 1705511399 STGJVXRGNZKVDJ-OAQYLSRUSA-N 445.430 4.845 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@]1(C)OCCc2sccc21 1705609127 RFXCMGIMTHUOCR-QFIPXVFZSA-N 426.973 4.608 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H](C)C1 1705654691 QKGJUHABGFNJPC-KBPBESRZSA-N 439.448 4.618 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(c2cccc(OC)c2)CC1 1705661769 ISCVGRCIJCNTLH-UHFFFAOYSA-N 426.630 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCOC1CCCCCC1 1705716955 ZLBZNAFXTXWLOF-HSZRJFAPSA-N 440.588 4.932 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](CC)C1 1705733310 LIAJFYTXKKWHCT-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1705770805 VBCJHHOFJRKUMC-UHFFFAOYSA-N 435.494 4.552 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1705779068 UHHBSDCZMUCMSJ-UYAOXDASSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)(C)C)CC1 1705789246 DMEKMOKSTBCUAU-UHFFFAOYSA-N 447.631 4.654 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1cccs1 1705861221 XWBBRSGAWBSZED-VWLOTQADSA-N 449.624 4.900 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1C 1705865373 LABZPCVKWXGTHX-ICSRJNTNSA-N 438.597 4.880 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CC=C(C(F)(F)F)CC1 1705912488 LNSLQXZWFAIXGZ-UHFFFAOYSA-N 441.457 4.652 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCC2(C)C)c1C 1706980744 HGDNGFHQLLWCMF-QHAWAJNXSA-N 437.588 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(N(C)C)CCC1 1722275690 BABKEVCTAZNJSR-OAHLLOKOSA-N 428.005 4.755 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](CC)N1CCCC1 1722344339 INTPCBCFQOBWMR-TZIWHRDSSA-N 444.023 4.632 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OC)CCCC1 1722389020 CNJCZBRTNGQWTL-IBGZPJMESA-N 436.625 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1722390137 ZOGASXZKBBKRGC-HSZRJFAPSA-N 445.655 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](CCC)OC 1722515942 PNUVLTCUMCJQID-VQTJNVASSA-N 449.640 4.610 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2Cc2cn(CCCC)nc2C)CC1 1722569983 RBQZQCCIJONSNB-UHFFFAOYSA-N 438.551 4.506 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CCC2)C1)c1ccccc1 1722594674 PPIQOQRHDVTAOM-NRFANRHFSA-N 435.616 4.937 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1COCCO1 1722594748 DNGBMDYNUFOQOQ-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=CCCOCCn1c(C2CC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1722626991 IJAHBVWONXTPHC-OAHLLOKOSA-N 441.523 4.608 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1722651283 HFRSZWJTCGDQPY-UNMCSNQZSA-N 437.632 4.749 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)cc1C 1722677219 XLJUPNVSMRRJEO-XMMPIXPASA-N 449.599 4.771 30 10 IJEE CCOCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1728957350 IBKAYDROHFHNFB-HOYKHHGWSA-N 443.567 4.750 30 10 IJEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1730568940 DOKNDRPNPLIPCI-NEWSRXKRSA-N 433.478 4.583 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1740574513 ZYGBQIOKGRFMEV-GCJKJVERSA-N 438.572 4.839 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(C(F)(F)F)n1 1740603586 XNJBXVYHRUAAHZ-UHFFFAOYSA-N 445.514 4.807 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740604824 LPODEDUIZBOAPK-KRWDZBQOSA-N 433.625 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(CC)CCC1 1740727721 WJCPHWHSELYTSD-XMMPIXPASA-N 438.572 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](OC)C(CC)CC 1740732810 QSACTDPSFYNPJS-RCZVLFRGSA-N 426.580 4.841 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(N3CCCC3)cc2)nnc1C(C)(C)C 1740766204 GQEMEKHFMUSRCT-JTHBVZDNSA-N 437.632 4.793 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1740767505 VNVXRKKDIZHZSB-GMAHTHKFSA-N 425.621 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCN1CCOCC1 1740769032 FSZAZEIYEAFUDL-UHFFFAOYSA-N 439.648 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1ccc(OCC(F)(F)F)nc1 1740770965 NIEZHVLGGGRRGX-UHFFFAOYSA-N 449.452 4.871 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2nc(C)c(C)s2)CC1 1740827881 NTSTVBDQNKEBQH-UHFFFAOYSA-N 437.613 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCOC2)C1 1740847061 WDVLRYPRJZJFJM-JOCHJYFZSA-N 445.405 4.927 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](OC)[C@H](C)CC)C1CC1 1740906779 RGQIFKYQPWDDMI-DNVCBOLYSA-N 433.394 4.924 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC1CCC(OC)CC1 1740923263 HWUNBPZUZRBIKD-GZNCHQMQSA-N 430.618 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1cnc(C)s1 1748680136 NQVZILQFPSQRLG-INIZCTEOSA-N 444.004 4.523 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1c1ccco1 1749046533 ABLMXZUDJVJODQ-FQEVSTJZSA-N 436.581 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccccc1C 1749133219 JCVGYBVHURJXPZ-LFAGZIFBSA-N 431.584 4.751 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCOC1 1749148692 BWCGYPNLKYGTKE-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCOCC2(CCC2)C1)C(C)C 1749556883 BKZITHGKWITKNF-HSZRJFAPSA-N 441.664 4.641 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)CC=C)C1 1749696321 SHXXYOIQUVMJCU-FQEVSTJZSA-N 432.572 4.719 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2CC(F)(F)C2)C1 1749699533 BAKHEXOIPZGNKZ-HNNXBMFYSA-N 426.870 4.564 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCNc1ncc(Cl)cc1Cl 1752688363 BVFFZAQVKMKMBH-AWEZNQCLSA-N 436.391 4.736 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@](C)(OC)CC1 1760130563 LSKZEMZOMKVBCF-QHCPKHFHSA-N 432.515 4.745 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OCCC(C)C)CC1 1760154307 RWSICTLRXIHWHC-UHFFFAOYSA-N 429.008 4.967 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C1CC(C(C)(C)C)C1 1760199199 RDYKTHMVCNSVPZ-UHFFFAOYSA-N 434.584 4.811 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(C)cc1OCC(F)(F)F 1760237091 VKHIPTMKPWEGQN-UHFFFAOYSA-N 448.514 4.688 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccsc1 1760276576 ISDVCRSWOABHRF-QGZVFWFLSA-N 430.002 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](CC)C1 1760315928 KKKXXJYUDUIHOE-MOXWOTFGSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1760408970 VGDKBEHOIFSGQD-UHFFFAOYSA-N 437.632 4.995 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCCC1 1760419154 JDVCIPHZCQFQLN-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1760493343 BKRJWXKKIMBUQI-OAQYLSRUSA-N 447.539 4.592 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1760511456 IZSGGBNEGIFYNH-IBGZPJMESA-N 428.989 4.955 30 10 IJEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 1770312052 CVSUQGTZXPWVIB-LMNJBCLMSA-N 425.577 4.533 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)O[C@@H](C)CC)c1 1858741699 ZNQQRDUTZKKYMR-KRWDZBQOSA-N 425.529 4.892 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1862147909 HLGXDWCXEBHNHG-XPGGBCAFSA-N 430.592 4.925 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1862204613 HTJDUAGMTGNBCG-ZJSXRUAMSA-N 434.580 4.505 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2F)cc1 1862474101 KPCQERFMSXUKDL-QHCPKHFHSA-N 431.463 4.791 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C(=O)O)cc1 1862478135 ZRIOKTRBCBBFEQ-BSLALVQMSA-N 433.504 4.850 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862484919 UBIRVGPJMXELKM-WZONZLPQSA-N 437.536 4.523 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1Br 1862496374 IZPXPIXKRPNHAD-IBGZPJMESA-N 426.310 4.830 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862528986 AOXPIFWBPSVVMW-XMMPIXPASA-N 443.499 4.612 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)cc1 1862569068 FIJBHWUKDJEOFO-RBZFPXEDSA-N 429.900 4.734 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 1862621595 UULKTBKJUXLCGE-XMMPIXPASA-N 441.483 4.545 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862659849 BZXBPUPGAAECQH-QFIPXVFZSA-N 440.971 4.993 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 1862725573 MGBNCKOFIZPDII-QFIPXVFZSA-N 433.891 4.578 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(F)ccc3F)C2=O)cc1C 1862881407 LYOWKGYLOLHZCN-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(F)c(Cl)c2)C(=O)N(c2cccc(C#N)c2)C1=O 1863059755 DINJIHZAIRWBLZ-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1863179905 LTPKWZMTVORRBX-UHFFFAOYSA-N 437.927 4.610 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863330912 ASNDPALCAIQNAF-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2c(F)cccc2Cl)cc1 1867929031 SUJBPBLSNGFPIM-FGZHOGPDSA-N 449.913 4.510 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)Cc2cccc3ccccc23)cc1 1870151827 NMQJLRSYGZGSNX-UHFFFAOYSA-N 425.492 4.652 30 10 IJEE CCSCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCN(CC)CC 1870232922 PCEPDKNRICOBSX-UHFFFAOYSA-N 427.614 4.674 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2C)C1=O 1871370763 CZFOBJZTHVMOEI-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O 1871418541 YZMGTOKQOFYLRU-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871458754 HZEHYWSRWUDJIC-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872549647 VUUDJLATNXNIRX-UWJYYQICSA-N 434.627 4.985 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872767362 XORZXDICWLHSLK-INIZCTEOSA-N 430.316 4.723 30 10 IJEE CC(=O)Nc1ccc(-c2nc(C3=C(N)N(c4ccccc4C(C)C)CC3=O)sc2C)cc1 1872796258 RYNRZCGFTJQBEU-UHFFFAOYSA-N 446.576 4.917 30 10 IJEE C=CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873592064 ZZVGTBMYGCBLGZ-IRXDYDNUSA-N 437.975 4.683 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(NCCC(C)C)ncnc21 1873611336 VHWJWZTYCOWGOH-UHFFFAOYSA-N 432.572 4.928 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c(=O)oc2c1 1873969640 UBBNAFYGZGYCFA-UHFFFAOYSA-N 442.855 4.799 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OC)cc1 1874230854 GDXGBWCLGGOVRV-YDZHTSKRSA-N 428.945 4.988 30 10 IJEE COc1ccccc1/C=N/n1c(CCc2cccc3ccccc23)nnc1SCCCO 1874234025 NUEHRKLPOPHZSI-NLRVBDNBSA-N 446.576 4.582 30 10 IJEE Oc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 1874463354 FGCDKQWWNJDHAN-LIMNOBDPSA-N 430.814 4.970 30 10 IJEE Cc1ccccc1CSc1nnc(-c2ccco2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874464689 WWASOOSUTVSMKT-WSDLNYQXSA-N 435.465 4.635 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1O 1874482143 WXOXICFKIMZBRS-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1Cl 1874488744 HOBLIDDJQVGUPJ-YDZHTSKRSA-N 427.961 4.743 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(N(C)C)cc2)cc1 1874494487 OOAAXHUYPSRWJA-MFKUBSTISA-N 448.596 4.533 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1cccc(Cl)c1)Nc1ccc(F)cc1 1874494688 DROFBNUQWJORBT-WYMPLXKRSA-N 443.935 4.951 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874522300 MRFFLYLEEBZVJI-DHRITJCHSA-N 446.580 4.562 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccccc1C 1874575257 DMFMJAZEQMBILG-NTCAYCPXSA-N 446.459 4.825 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1F 1874623669 PIBSRUIATDNNDA-DHZHZOJOSA-N 435.451 4.757 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 1874637886 WZTWPUFVBHEPAX-XVNBXDOJSA-N 437.279 4.703 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)CC1 1890578348 SRXNAIJVPIUXIG-UHFFFAOYSA-N 430.483 4.626 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)CCc2cccc(Oc3ccc(F)cc3)c2)CC1 1891528537 WNSDQAXUZWBQTQ-UHFFFAOYSA-N 445.494 4.887 30 10 IJEE C#CC[C@H](C)CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892911396 FGOZDIBYSXPHDL-GAJHUEQPSA-N 437.561 4.761 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(I)c1 1900419341 IAQIPOUBBJXZPS-AWEZNQCLSA-N 449.716 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](O)c1ccc(Cl)c(Br)c1F 1922086019 NDUGMNYEBRCEOD-OALUTQOASA-N 428.729 4.636 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1cncc(CNC(=O)OC(C)(C)C)c1 1922116500 QUXXLIVSPZODED-QHCPKHFHSA-N 425.573 4.920 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1944735238 XMQCBFBSTUJIRY-SJLPKXTDSA-N 431.533 4.586 30 10 IJEE CCCN[C@@H](CC#CC(C)(C)C)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1947469889 MUBSQPPAMBKBDY-QHCPKHFHSA-N 429.649 4.821 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Cl)c(Br)c1F 2041172833 JYQBUJFHWGPNNO-BBRMVZONSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@H]2C[C@H]1CC21OCCO1 2048160270 HWWDYDUSMOPODC-BXTJHSDWSA-N 449.345 4.626 30 10 IJEE Cc1ccc([C@H](n2nc(C3CC3)c(/C=N/O)c2I)C2(C)CC2)cc1 2079002971 RPASPCJATNXMSS-RYFGYPJOSA-N 435.309 4.871 30 10 IJEE N#Cc1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1I 2079183228 NQHSUPKCQHMHRC-UHFFFAOYSA-N 449.067 4.525 30 10 IJEE CC(C)Oc1ccc([C@@H](C)n2nc(C(C)C)c(C=NO)c2I)cc1 2080119867 RIWYUDQUAKIIMX-CYBMUJFWSA-N 441.313 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H](CNc2ccc(C#N)c(Br)c2F)C1 2105979519 UHENYNQFKNHZLS-ZDUSSCGKSA-N 426.330 4.909 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CC1 2180986858 IIUCAGIKPGOXCG-DZGCQCFKSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Oc3cc(Br)cnc3C#N)C(C)(C)[C@H]21 2198815598 NUHRCCVXTAHRLK-JQFCIGGWSA-N 436.350 4.519 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H](CN(Cc3ccc(Br)cc3C#N)C1)C2 2207056509 ZUSYKSMZSNQHED-QVKFZJNVSA-N 434.378 4.590 30 10 IJEE CCCc1ccc(C#C[C@@H](N)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223316529 SNKAMRKTSPWKHH-JWQCQUIFSA-N 436.596 4.818 30 10 IJEE Cc1cnc(NC2CC3(C2)CC(OCc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2232279464 FBIDLBINMFXUQA-UHFFFAOYSA-N 434.389 4.629 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2235729406 SKQYPJMIYKQBAF-PKOBYXMFSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](O)(C#Cc3ccccc3Br)C[C@@H]21 2235743726 LXVJHVVNYOPWOT-ZWCUEREDSA-N 434.374 4.731 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](F)[C@H](C)CNC(=O)OC(C)(C)C 2235749183 HTHNWZIGOIYWLJ-ATZDWAIDSA-N 441.385 4.668 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CC#N 2243927593 WQBPOYPGBVSLCZ-KBMIEXCESA-N 445.563 4.844 30 10 IJEE C[C@@H](COCc1ccccc1)COCc1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2259021690 JBNIPCOPIIGOHQ-KRWDZBQOSA-N 432.316 4.634 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)CC1 2259674947 GJTUBDQNXZRTFD-ZEQKJWHPSA-N 446.632 4.670 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(Nc1ccc(C#N)cc1Br)C2 2270313990 ZCAQIBUZVKXUIV-HUUCEWRRSA-N 438.391 4.616 30 10 IJEE 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C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 743999092 PGEXLJOJXOOYIQ-VLGSPTGOSA-N 448.519 4.514 30 10 IJEE Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC2(CC#N)CC2)c1 797423914 AGEFGBXPNWPQKB-HXUWFJFHSA-N 432.549 4.649 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccc(F)cc1 812933101 QZKAOBVQMJJUBW-HXUWFJFHSA-N 449.448 4.956 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3ccc(C)c(F)c32)nnc1-c1ccco1 1129528133 WVVRZFFMRFVMOT-UHFFFAOYSA-N 426.517 4.633 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1ccc(F)cc1 1129716597 IJFXGQQQFDJWKK-REWPJTCUSA-N 436.527 4.875 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1130380017 RORRLAURUCSFDK-LJQANCHMSA-N 446.853 4.970 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1131460792 UQYBWTXCCPEIKY-KRWDZBQOSA-N 434.337 4.787 30 10 IJEE C=CCCC(C)(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1132189255 JQDRJLMKQLJIET-INIZCTEOSA-N 439.369 4.549 30 10 IJEE CCOC(=O)c1cn(CC)nc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1134867338 CDDSYNKZJDRWOX-UHFFFAOYSA-N 438.871 4.649 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1139967201 JGKDNQWJDDTZPU-DFBJGRDBSA-N 432.564 4.810 30 10 IJEE C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1141708667 PWDZMZMWRMAVSC-NFBKMPQASA-N 433.017 4.846 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)C(=O)OC 1155475194 MMFPZYKEZRQJCI-SFHVURJKSA-N 437.471 4.534 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1 1161335495 HQKPWNTZDFBXEO-UHFFFAOYSA-N 439.350 4.646 30 10 IJEE C=CCn1c(SCCOC2CCOCC2)nc2cc(-c3ccccc3)sc2c1=O 1165302805 DJHPRMKABJOJEC-UHFFFAOYSA-N 428.579 4.599 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(C(F)(F)F)cc(C#N)n1 1185874353 JIRZWMJNXNVRQS-UHFFFAOYSA-N 431.443 4.788 30 10 IJEE N#Cc1c(NC[C@H]2CSCCN2Cc2ccccc2)nc2c(c1C#N)CCCCCC2 1186094766 FYWQIAAXZJUCJU-FQEVSTJZSA-N 431.609 4.513 30 10 IJEE C#CCN(C(=O)Nc1cc(C)c2c[nH]nc2c1)[C@@H]1CCOc2ccc(Br)cc21 1202179213 DIWBOLWQOPQZJQ-LJQANCHMSA-N 439.313 4.625 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(C)(N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 1224640369 DDNRFCNARMLKNB-HXUWFJFHSA-N 439.522 4.609 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(Br)cc1F)c1ccc(Cl)cc1F 1230511333 QXLPYMAIGVLBJC-KRWDZBQOSA-N 427.676 4.897 30 10 IJEE N#CCC[C@H](NC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1)c1ccccc1 1230627824 DFBSMHQFXYUSBA-DEOSSOPVSA-N 427.504 4.888 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1)c1ccc(F)c(F)c1 1234556208 QKCCKYZLQDONFH-XPWALMASSA-N 439.510 4.849 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccccc1F)[C@H]1CCOc2ccc(Br)cc21 1265210804 VKDRJGYREYXCBI-KRWDZBQOSA-N 438.243 4.666 30 10 IJEE N#CCCn1ncc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1-c1ccccc1 1266208191 CVFOQMWXNVNUMT-UHFFFAOYSA-N 425.319 4.969 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC[C@H](C)CC)c1 1278645226 ZQZGQHUJAMJHJH-QGZVFWFLSA-N 434.989 4.887 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286584258 BPQNQWZCVNAGHT-QZTJIDSGSA-N 436.629 4.872 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1286612406 DMWAKMHAUHTREL-BWAGFHJFSA-N 428.552 4.604 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 1286665751 NOELRPQTHKUVHR-XMMPIXPASA-N 437.632 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1286669184 ZGWBEDIILXULQN-NRFANRHFSA-N 437.632 4.989 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1286701703 CNNCRYGUUIENOK-OAQYLSRUSA-N 441.938 4.601 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)C(C)(C)C1 1286798903 NCAYLDUVILVAJB-LJQANCHMSA-N 448.615 4.625 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1286825130 HABIVKQGQMOPHL-RBUKOAKNSA-N 442.629 4.898 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C)C1CCCCC1 1288528695 BEWKBMYOKGSONX-HXUWFJFHSA-N 447.631 4.743 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cccs1 1295553145 BUKVSOSSBKZLLH-WIYYLYMNSA-N 434.613 4.950 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1300363324 YBTHLDQPOKJOPY-NHCUHLMSSA-N 428.964 4.555 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)c1ccco1 1300421830 SJINEHXZQFOSOG-INIZCTEOSA-N 443.345 4.823 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CC(F)C1 1300830750 KFSNPLZZBXYMKU-WLYUNCDWSA-N 441.320 4.650 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1300974950 QOJQMMMPDOORLT-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1300991584 VIPYDLBFASIZCM-UHFFFAOYSA-N 443.325 4.639 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN2CCCC[C@@H]2C1 1301159838 HJLRYQHOGZQRRI-JOCHJYFZSA-N 437.632 4.696 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1301173557 HVROYRFIQXOXHE-TZIWHRDSSA-N 442.007 4.987 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301229700 XUYZGIQHZIPGJG-QUCCMNQESA-N 431.625 4.717 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301239889 XHFJOHXARYHMID-WBVHZDCISA-N 447.004 4.613 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC(N3CCCCC3)CC2)nnc1C(C)(C)C 1301534605 CIBDRAJETIZXPJ-UHFFFAOYSA-N 437.632 4.643 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1304975314 FUCSEKBEUFIPKD-UHFFFAOYSA-N 448.615 4.623 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCc1cccc(C)n1 1305462094 BLRKZTLWEOLWQK-LJQANCHMSA-N 444.583 4.657 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(CC(C)C)C2)C1 1305864397 CNBQJZUSARNDBJ-BKMJKUGQSA-N 434.632 4.811 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1ccnc(Cc2ccc(F)cc2)n1 1306992591 JDHOGENGINRQPA-UHFFFAOYSA-N 433.512 4.714 30 10 IJEE C=CCn1c(SCC2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1cccc(OC)c1 1307312916 WTHBXCNXPPTGFX-UHFFFAOYSA-N 444.601 4.879 30 10 IJEE Cc1sc(NC(=O)CN2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c(C#N)c1C 1307974716 DOVSHGHPASFPHQ-HSZRJFAPSA-N 445.588 4.576 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)CCCC1(C)C 1309453841 YRVWNCLZLUYUOS-OALUTQOASA-N 426.420 4.703 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)c1cc(F)c(Br)cc1F)C(C)C 1311389309 REEBBSFQDWEWLI-IFXJQAMLSA-N 444.364 4.786 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1312334430 LWRJQTJRJNJKRP-FPOVZHCZSA-N 445.485 4.813 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccc(Cl)cc1F 1312357691 RBJUHYJLDNSDAK-IZSMGAQTSA-N 439.962 4.753 30 10 IJEE Cn1cc([C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccccc2)cn1 1325222407 GZYQLPYHMGMAEP-QHCPKHFHSA-N 427.533 4.609 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 1348610539 DRNJWURDUNIIGE-UHFFFAOYSA-N 426.472 4.650 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]([C@H](C)CC)N1C(=O)c2ccccc2C1=O 1349910554 KOYKLKOMCGZYSH-KUHUBIRLSA-N 430.957 4.627 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2ccc(SCC(=O)OC)cc2)s1 1355774697 ADMUCNKPLIPDTR-UHFFFAOYSA-N 443.999 4.709 30 10 IJEE CCOC(=O)Nc1ccc(F)c(C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 1358318889 GIRCROCWMAISCU-AOOOYVTPSA-N 430.320 4.597 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)c1ccccc1 1358372761 OEGCKROHOBOOID-DEOSSOPVSA-N 445.563 4.579 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)C2CCC2)ccc1Cl 1358407366 WADJQINLWPPZPK-MRXNPFEDSA-N 432.973 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1358988009 ZIYKLUWXVLYGLJ-LJQANCHMSA-N 426.511 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CC[C@@](C)(CC)O1 1359063913 HCJJFALTRLGUFB-NUQURWJTSA-N 440.563 4.897 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@@H](C)C1 1359064240 OMLGRWPWOVQAOS-YBJWPOLQSA-N 442.991 4.879 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H](C)SC)CC1 1359173456 GUWZGMDWUXSDII-QZTJIDSGSA-N 430.618 4.971 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H]1CCSC1 1359223475 MCZYPMXYGDCQSC-SJLPKXTDSA-N 432.659 4.666 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@H](OC)C(C)(C)C 1359260812 OSMMKIRJUMESJK-FPOVZHCZSA-N 430.568 4.565 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1359273255 UKUKNOVVOXMGNN-FQEVSTJZSA-N 436.991 4.783 30 10 IJEE N#Cc1cnc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)c(Cl)c1 1435073666 FWMVVKICTXXZPZ-OAQYLSRUSA-N 430.895 4.836 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 1436254995 FFORVWHXXHWSPE-QHCPKHFHSA-N 441.556 4.882 30 10 IJEE C=CCC1(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)CCC1 1440968694 OJQRQZPOXVWTQW-WJDWOHSUSA-N 439.364 4.892 30 10 IJEE COc1cc(Br)c(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1OC 1442246242 CPVXFOLFDJJMEZ-UHFFFAOYSA-N 448.342 4.585 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cc1 1447168562 HYJWHUQUDSENHP-HXUWFJFHSA-N 426.900 4.965 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 1447754467 LHNIDZJYFYQJEA-UHFFFAOYSA-N 428.533 4.502 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 1459259435 BBDXNDNHWIQDQR-WOJBJXKFSA-N 436.552 4.558 30 10 IJEE CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)c12 1460649839 DFDUTXCXKSMFBV-UHFFFAOYSA-N 429.480 4.934 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1461048534 KFTKYPDXWNVVSF-LIRRHRJNSA-N 434.323 4.958 30 10 IJEE COC[C@H]1CCCN1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1476217293 GQXBFXOKPZIEAJ-QGZVFWFLSA-N 434.418 4.517 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1507595868 YFHHNIUTWNGGID-VQIMIIECSA-N 449.382 4.583 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCCC1(F)F 1507668449 DJRBPCFRLYIDQX-HXUWFJFHSA-N 433.506 4.782 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507748349 QAWVQYVZXQNFNY-CALCHBBNSA-N 441.551 4.587 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1507757275 RHAXMCJTLZFAPT-IEBWSBKVSA-N 433.021 4.892 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C)[C@@H](C)C1 1507847837 LREMJEOHRPBRIQ-OALUTQOASA-N 430.618 4.654 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1507896931 KJJUCMMBVVYLRI-GOSISDBHSA-N 429.565 4.552 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1507964671 DVKWQEUXJJEKMU-SFHVURJKSA-N 447.505 4.722 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1508018169 PJGXJPMARVEEFD-URXFXBBRSA-N 446.599 4.760 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3ccc(Br)s3)s2)c1 1517117636 QUDWODGZJKPYMI-UHFFFAOYSA-N 445.363 4.589 30 10 IJEE C=CCN(C(=O)c1cc(C(=O)OC)on1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1524875768 YHWGTFXLSGQEED-UHFFFAOYSA-N 438.292 4.724 30 10 IJEE COc1ncc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1C#N 1538310666 DNEMOXKUJOGOPA-UHFFFAOYSA-N 443.894 4.779 30 10 IJEE O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1538377343 DGULQRUOKFICAZ-APPDUMDISA-N 448.338 4.617 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCN(CCC)C1 1539153342 APFCVRMPBBOMKR-INIZCTEOSA-N 428.005 4.615 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=C)Br 1539238235 TXCYWFSJDWVTNT-UHFFFAOYSA-N 445.773 4.795 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539351420 WVRPVIVJZAPYPL-GOSISDBHSA-N 447.549 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC1CN(C(=O)OC(C)(C)C)C1 1539660107 SKJJPWGGZURSSA-UHFFFAOYSA-N 425.577 4.523 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1539871357 MDNLULUACRMEAN-SFHVURJKSA-N 444.530 4.543 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1540049490 MVSBQSPLSGXYEK-IMWIBFENSA-N 429.584 4.690 30 10 IJEE C=CCC1(CNC(=O)c2cccc(Br)c2I)CCCC1 1540085518 YODRIHZEADOVEO-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCN(C(C)(C)C)CC1 1540859899 SOHCHJRYELGLHL-UHFFFAOYSA-N 425.621 4.786 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2nc(C(C)(C)C)cs2)C1 1540887698 BVABSSMGSHDTFG-GOSISDBHSA-N 437.613 4.837 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cc(C(C)(C)C)no2)C1 1540888145 LAUIOBWGYYWWDB-MRXNPFEDSA-N 441.963 4.714 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1OC 1544448480 NPAXNAPNOCFWOI-IDKBZEPQSA-N 433.508 4.763 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCc2c(Br)ccc(Cl)c2C1 1559722860 FKKMINNTAQDDLF-OAHLLOKOSA-N 446.776 4.796 30 10 IJEE C#CCN(Cc1cccc(Cl)c1Br)C1CCN(C(=O)OC(C)(C)C)CC1 1560143071 POJLHWTZRMFLDD-UHFFFAOYSA-N 441.797 4.937 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c(Cl)c1 1561151588 BZNPDYDIHMVAJA-SFHVURJKSA-N 439.762 4.794 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 1564081821 IWARDTZIPFGRFT-LJQANCHMSA-N 428.374 4.816 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1)c1ccc(F)c(F)c1 1564598110 ZOSBCPFIXISQCH-NQIIRXRSSA-N 435.515 4.815 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1583750162 JGLPAWVCVUSSQD-CVDCTZTESA-N 434.964 4.666 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3ccc(F)c(Br)c3C2)cc1OC 1586851161 MRIFZWRTIHWLSW-UITAMQMPSA-N 446.316 4.760 30 10 IJEE COc1cc(NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)c(F)cc1C#N 1587092142 HJDKMGXPGCADMT-OAQYLSRUSA-N 431.467 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCO[C@H]1CCCC[C@@H]1C 1587575424 VIOPFORTOIWWRU-ZWOKBUDYSA-N 445.405 4.761 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1587705473 DXZAREZCSGTDGN-WOJBJXKFSA-N 440.588 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@H](c1cccnc1)C(C)C 1589223964 UBIVXRBKVGZDAB-BKMJKUGQSA-N 431.559 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C)(C)CC1 1589503398 CKBYZQCAPGDKAX-GCJKJVERSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2Cc3cccc(Br)c3C2)nnc1C(C)(C)C 1589579097 JOLDIVOZKHFSNS-VQIMIIECSA-N 445.405 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(C)(C)C)C1 1594473303 QABHBFBLUHMZJV-FQEVSTJZSA-N 426.561 4.527 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(F)F)C1 1594799080 ZIFUSEADYVOYJK-SFHVURJKSA-N 427.499 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1cccs1 1595093562 FYEOLKCUVYPWQM-RUZDIDTESA-N 447.608 4.969 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1ccc(Cl)nc1 1595127191 ILCOQPREVVPPAT-UHFFFAOYSA-N 434.906 4.769 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@H]1C 1595149689 SZCPERYUVWJYMY-CJNGLKHVSA-N 432.391 4.881 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CCc1cc2ccccc2s1 1595229424 RGUUDJJIOUMXHD-UHFFFAOYSA-N 432.597 4.776 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H]2CCO[C@H](C)C2)C1 1595700760 RLRKNNPXPYARFZ-LVCYWYKZSA-N 430.980 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(SC)CCC2)C1 1595729693 NXNYPJGHIAFFGZ-LJQANCHMSA-N 433.021 4.589 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 1596854082 MEDIERYJFMCEKF-YLJYHZDGSA-N 438.996 4.947 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)(N(C)C)C1 1612738403 BFTDWRGLZOWTLX-DCEDVJGZSA-N 426.653 4.651 30 10 IJEE CC([C@@H](C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)c1ccco1)=[N+]([O-])O 1614949783 KPDPZBYGDIPLTD-BBXQBHCASA-N 428.916 4.841 30 10 IJEE N#Cc1c(NC(=O)CCN[C@H](COCc2ccccc2)c2ccccc2)sc2c1CCC2 1616720446 FWZCXAOOGADJRD-HSZRJFAPSA-N 445.588 4.985 30 10 IJEE Cc1ccccc1Nc1scnc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1616905995 DMLFMDFLAPNXGL-UHFFFAOYSA-N 433.537 4.582 30 10 IJEE C#CC[C@H](COC)NC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 1623242287 XOYOXEQNVWBKKV-MRXNPFEDSA-N 444.354 4.886 30 10 IJEE C=CCCSCCNC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 1625497080 QBVYDGJVNVINQO-UHFFFAOYSA-N 443.798 4.778 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1627644007 OXXQFCNGWYDLRN-VWLOTQADSA-N 446.538 4.539 30 10 IJEE N#Cc1c(F)cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1F 1628297158 CTIGDVIAHZLKAS-GOSISDBHSA-N 438.261 4.777 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(C)c(Cc4ccccc4)s3)n[nH]2)c1C 1631629969 IICQWQDSTKGKNG-UHFFFAOYSA-N 432.553 4.684 30 10 IJEE COC(=O)[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccc(C)cc1 1633127372 FOPGIBIYTRAUAZ-OAQYLSRUSA-N 448.906 4.999 30 10 IJEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3(c4ccccc4Cl)CCCCC3)C2)nc1 1633823348 CLKMZZBRMLDSPM-IBGZPJMESA-N 438.959 4.671 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 1634575437 YEWPHTPEYLUHGG-HBMCJLEFSA-N 430.589 4.736 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)cc2n1 1639187509 PLPAQCGFONGDJG-DEOSSOPVSA-N 440.503 4.829 30 10 IJEE Cc1ccc(-n2c(Sc3ccc(C#N)c(Br)c3)nnc2N2CCCC2)cc1 1639200330 AVQSOAFMEODBJB-UHFFFAOYSA-N 440.370 4.961 30 10 IJEE C=CCn1c(SCCc2cc(Cl)c3c(c2)OCCCO3)nc2ccccc2c1=O 1640657456 NXTHVHNRGNZNCG-UHFFFAOYSA-N 428.941 4.732 30 10 IJEE COc1ccc(N=c2scc(CN3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2)cc1 1645005315 FJKNGZTXSCKMBE-VWLOTQADSA-N 432.593 4.965 30 10 IJEE C=CCn1c(Sc2cc(C(=O)OCC)nc(C)n2)nnc1-c1ccc(C(C)(C)C)cc1 1649811376 SUAJZCKESWAGAU-UHFFFAOYSA-N 437.569 4.855 30 10 IJEE C=CCn1c(SC/C=C\C(=O)OCC)nc2sc(-c3ccccc3)c(C)c2c1=O 1651733184 RRNXYCZKYYETGU-XFXZXTDPSA-N 426.563 4.831 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cnc2ccccc2c1 1654025306 BXVVTZALQVUIMH-UHFFFAOYSA-N 431.492 4.950 30 10 IJEE COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2cccc(F)c2C#N)c1 1654735543 CUIRMOLQAHPIDZ-YKSBVNFPSA-N 436.508 4.625 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@H]([S@@](=O)CC)C2)cc1OCC 1657346876 FWHHWJVKXBBZDL-XJCBTKLQSA-N 444.435 4.582 30 10 IJEE C=CCC1(CNC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)CCCC1 1657503464 CEIHHVZOXHYVSN-UHFFFAOYSA-N 433.618 4.898 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2ccccc2)c1 1663901269 BMDNYBGIYJZVIP-UHFFFAOYSA-N 428.536 4.733 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)Cc1cccc(Cl)c1Br 1666613612 KKLBZRXDPJRPQB-UHFFFAOYSA-N 432.742 4.760 30 10 IJEE CCC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCN(c4ccsc4C#N)CC3)sc2C1 1669795638 CMRLROPUJOEYIW-HNNXBMFYSA-N 443.642 4.971 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1Cc2cccc(Br)c2C[C@@H]1CC 1675023246 IPQAUDZXNLAIBW-INIZCTEOSA-N 431.305 4.969 30 10 IJEE C#CCC1(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CCCCC1 1675207226 AKARJHAJGOSQBR-LJQANCHMSA-N 425.573 4.941 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)c1ccc(Br)cc1 1676358892 WQQLJYJQQYYNDS-FGZHOGPDSA-N 440.385 4.568 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(I)cc1OC 1677895591 VPFWMRIFMKYOCT-UHFFFAOYSA-N 436.293 4.910 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCn1cnc2ccccc21 1678351641 RFLASCVKKDNERY-UHFFFAOYSA-N 429.318 4.575 30 10 IJEE C#CCN(C(=O)NCc1ccc(COC2CCOCC2)cc1)[C@H]1CCCc2ccccc21 1679322493 WKQJIFLWYSRMCS-SANMLTNESA-N 432.564 4.605 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)c1 1685293453 AAGMJYYTBBKSNK-KRWDZBQOSA-N 434.334 4.536 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1685871393 IDJQFWVSYHHIPJ-HKBOAZHASA-N 434.458 4.836 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1c(C)coc1C 1689839901 OSSFGSJOWZLHKU-CYBMUJFWSA-N 431.309 4.563 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CC[C@H](C)C1 1690039875 VJSQRSGRKNWFMZ-SFTDATJTSA-N 434.584 4.642 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN1C1CCCCC1 1690040622 JENWGXRPBMLRPO-DEOSSOPVSA-N 429.612 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1690048396 ISPFCQFDSFYZET-UKILVPOCSA-N 432.612 4.806 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1690051360 XAFZCHDNTVEYNY-RCZVLFRGSA-N 449.668 4.618 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(-c2ccsc2)nc1 1690083716 MLTRRFOFLGCDSB-UHFFFAOYSA-N 443.576 4.797 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)S[C@H](C)C1)c1ccccc1 1690444706 KZXCGANWGPCTGD-TXTKFYIRSA-N 433.625 4.954 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690455759 NJNFUWCSVXWROD-UHFFFAOYSA-N 439.604 4.778 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1F 1690511954 GYWHJBHMXSENGD-TZIWHRDSSA-N 448.558 4.704 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690532520 POVZOIDLKXHNAQ-REWPJTCUSA-N 426.605 4.937 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1C[C@@H](C)O[C@H](C)C1)C1CC1 1690539499 BNWLSWFSUIEIEQ-HZPDHXFCSA-N 430.980 4.966 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)(F)F 1690576225 RIQRMMXGPUFDGS-UHFFFAOYSA-N 447.486 4.997 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCCCCC1)C(C)C 1690581704 WZSXGESOOXTHIT-GOTSBHOMSA-N 429.653 4.989 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H]1CCO[C@H](C)C1 1690992974 CKCKSHSUIDGIHN-AKHDSKFASA-N 445.995 4.873 30 10 IJEE CSc1cccc(F)c1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@](C)(C#N)C1 1698377654 GKSYROWNQWJJHL-JOCHJYFZSA-N 425.533 4.886 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(Cc1ccnn1C)C1CC1 1705509695 MSJOHZCWHCCRPI-UHFFFAOYSA-N 430.600 4.949 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1705527771 JNBYSEBENKZHFX-HKUYNNGSSA-N 430.980 4.662 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1occc1C 1705573673 LQLATSSNRWBWKO-LJQANCHMSA-N 436.943 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCCC(C)(C)C1 1705668910 WWGWWSNQJYUGIH-WNCULLNHSA-N 433.644 4.934 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1705732607 FLTCBHIVURLCIB-QFIPXVFZSA-N 434.588 4.501 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@H]2CCCCO2)CC1 1705765925 HHSPLFCQXZJTNE-OAQYLSRUSA-N 440.588 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705787701 AUIFCPMTHKXSJQ-UHFFFAOYSA-N 445.571 4.669 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1705797179 RLAPDDNHLPBDIM-PKTZIBPZSA-N 438.616 4.785 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1c(C)coc1C)C1CC1 1705856214 KPNJLUZFLLIATK-FQEVSTJZSA-N 441.576 4.763 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1csc(CC)n1 1705863348 OZYKQHFWCYOMRD-UHFFFAOYSA-N 430.581 4.524 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC[C@H]1CCO[C@H](C)C1 1705868238 GPNHRGOXAGDNDY-UXHICEINSA-N 437.613 4.723 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCOC1 1705942246 LOAHBEXDBHSWIR-DLBZAZTESA-N 432.659 4.523 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC[C@H]1CC 1722283573 GFUHYVIJXFTSBM-SJLPKXTDSA-N 434.415 4.974 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1722329481 AQHJOKWZYAPGCL-UHFFFAOYSA-N 442.489 4.724 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccsc1 1722417837 VUCICNKTBVRVIJ-HXOBKFHXSA-N 426.561 4.540 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(C)C 1722492343 FFFVAQVRLRHOGH-IEBWSBKVSA-N 433.394 4.781 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)C1CCCCC1 1722531621 UUAHPWUAMPUWLD-SFHVURJKSA-N 427.549 4.851 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2cn[nH]c2)CC1 1722579702 SHNBRJWXFORUQU-UHFFFAOYSA-N 434.588 4.657 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1722581498 CXQPKTYYKWNGSD-QGZVFWFLSA-N 445.011 4.907 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722615912 CUDSMUFDDISGGV-RBUKOAKNSA-N 433.641 4.963 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCCc1nnc(C)s1 1722662148 VSTALJPHGYSNRU-UHFFFAOYSA-N 440.598 4.893 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)c1ncc(C)s1 1740599577 AJDXTLXLNFNONG-KRWDZBQOSA-N 444.608 4.991 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1740650377 YNVPUOSOJBNZMQ-GOTSBHOMSA-N 445.655 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(SC)c(OC)c2)nnc1C(C)(C)C 1740766524 IKNKXYAMKCMTKJ-NQIIRXRSSA-N 444.645 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCc1ccc(Br)s1 1740777128 NPTULZWNJPJFEI-OAHLLOKOSA-N 425.396 4.599 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)CN2CCCCC2)CC1 1740819460 RBHQRWFMKFMDSQ-LJQANCHMSA-N 445.558 4.825 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(N(C)C)CCCC2)CC1 1740839798 OIQWSPNPOJXTKL-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCCCC2)CC1 1740841252 KUBVTJNCDWWDEU-UHFFFAOYSA-N 449.599 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)NC)CC1 1740844705 RBLQIOLTAHHDEB-UHFFFAOYSA-N 429.996 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740845551 SUFWNEUKLMIUOW-KRWDZBQOSA-N 441.645 4.545 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC2(CCOCC2)C1 1740860701 MYWOHAPDUXHHCG-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1CCC1CCN(CC(F)(F)F)CC1)C1CC1 1740912335 ADAOWEIUTQEODP-UHFFFAOYSA-N 439.570 4.830 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(OC)CCOC1 1740922824 UAPGOKFFGDKVCR-XMMPIXPASA-N 438.597 4.567 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC(F)(F)Br 1740928758 UFAGLKLCNIBDQE-UHFFFAOYSA-N 434.288 4.659 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740944295 YCDJIDQTIAABFL-AWEZNQCLSA-N 445.976 4.714 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@H](C)C2)cn1 1746089154 GJBGWAWMJBSLFG-WOJBJXKFSA-N 443.599 4.589 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1(COC)CCC1 1748834136 FRUVMECQXOEULD-UHFFFAOYSA-N 431.367 4.532 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1749047540 YPVQGTBXKJBLOC-OAQYLSRUSA-N 436.581 4.775 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@H](C)C1CCC1 1749189754 QYDOADACQQMWRZ-QUCCMNQESA-N 431.625 4.984 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 1749242836 UOCWTAGDGMVXCL-UHFFFAOYSA-N 444.457 4.908 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749390413 DPQNMDYAISIOCG-FQEVSTJZSA-N 435.572 4.789 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749418080 WVJXOVPIWVNOSX-QFIPXVFZSA-N 437.632 4.950 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC(=O)N(CC)CC 1749473482 JPFIMDRTGLQIKY-UHFFFAOYSA-N 429.634 4.546 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1749522007 YMSKBJANIRYYCY-UHFFFAOYSA-N 443.020 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN1CCCC[C@H]1CC 1749544201 CWJDAUANAGTDJO-FYYLOGMGSA-N 441.595 4.726 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(Oc3ccccc3)nc2)C1 1749696162 AJYUKHQLNMYRNG-UGKGYDQZSA-N 433.556 4.809 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@@H]1CCCCO1 1751245633 IFXXPWQCSCZNIJ-BJLQDIEVSA-N 429.540 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1csc(C)n1 1760100263 SYTDAMNQDNSXAC-HNNXBMFYSA-N 448.621 4.843 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNc1ccccn1 1760229068 CLXLXFPCIMFSSQ-UHFFFAOYSA-N 429.355 4.609 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@H]1CC 1760234716 RKEBOTKGAOAOBN-PWRODBHTSA-N 443.636 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCC[C@H]1C 1760298974 BVSGXZFCUUEELG-WZONZLPQSA-N 444.048 4.700 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCN2CC)CC1 1760385280 OWKJJEPXBMXHEX-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CCOC2)C1 1760409127 KXXBTWZUAMYKNH-HSZRJFAPSA-N 432.515 4.766 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccnc2C)CC1)c1ccccc1 1760417378 BUMJNEIYRIASFI-REWPJTCUSA-N 445.615 4.577 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(F)F)C1 1760449365 HWHVITVYBFJINF-SFHVURJKSA-N 443.498 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1OCC 1760486627 UQOUHLFWRMTIJB-UHFFFAOYSA-N 446.580 4.745 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1760507148 KJCOUBAPAVXWLK-IBGZPJMESA-N 430.455 4.511 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H]2CC[C@@H](SCC)C2)cc1 1760531457 PKCVYVOGEAGZLP-KSEOMHKRSA-N 442.629 4.853 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@@H](C)OC)n2)C1 1762450224 BWCOEJUNFASEEF-WAIKUNEKSA-N 436.585 4.655 30 10 IJEE COCCC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CCCCC1 1769591169 FFRZRQRXBPGJOA-UHFFFAOYSA-N 439.579 4.735 30 10 IJEE O=C1/C(=C\c2cccs2)SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 1772759588 VPRYJTJDMSYDIH-WPILSZEVSA-N 438.490 4.756 30 10 IJEE COc1ccccc1C(=O)N1CC=C(c2ccc(OC(=O)c3cccc(C#N)c3)cc2)CC1 1860670341 BOCPVMKRBFKDKS-UHFFFAOYSA-N 438.483 4.716 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1 1862433800 LJVNLBWYMWEONB-FQEVSTJZSA-N 439.895 4.949 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1O 1862448181 HTNJALXPSJTENR-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862451206 ZMBRSZYSKAHXGK-BMLIUANNSA-N 440.710 4.606 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2c(F)cccc2Cl)cc1 1862481081 WMBSTGYNNVLLCV-HXUWFJFHSA-N 431.891 4.528 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862540428 NOVBXWYTZYFZNJ-FQEVSTJZSA-N 443.927 4.851 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862547575 YEAVIDDAXMDTLB-QFIPXVFZSA-N 434.492 4.852 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCCN(CC)CC)cc1 1862555437 DVUZTFYGYHAYRQ-XMMPIXPASA-N 449.595 4.532 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)c1 1862556487 XNSMLJMWENWHIA-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(Cl)cc2)c1 1862557359 KTIJHQBWJQIEJF-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592536 FKZFKEXLWAHETK-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862675156 CSOVQKUTLSOBNF-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc2ccccc12 1862705058 PDOFXRFESVCSTG-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863368055 FHADZAIXMWSUHC-UHFFFAOYSA-N 435.483 4.515 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2ccc(OCCC)cc2)C1=O 1863683253 FOYPCGIXPIGYBJ-DKODJIDWSA-N 448.607 4.936 30 10 IJEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(Cc2ccccc2OC(C)(C)C)C1=O 1863692823 MKNVRCRWVOTURQ-UHFFFAOYSA-N 448.563 4.707 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C\c2ccc(Cl)cc2)c(C)c1 1870140788 KDNNYEGDBXGPBE-JYRVWZFOSA-N 434.931 4.599 30 10 IJEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 1870156981 JYIUVWVPKUFDNA-ZDUSSCGKSA-N 444.322 4.975 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871387360 QYTLABNEOBYYJN-UUYOSTAYSA-N 431.400 4.829 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871438296 TUOXNZIVRDHRMW-VVRYKASASA-N 438.520 4.866 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871888961 AIEGBOJOIBEDTO-UTKZUKDTSA-N 434.989 4.960 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(=O)(=O)CC 1871947379 AEGYEKFMIBURTI-GOSISDBHSA-N 427.353 4.511 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872431500 MVAFFYYCCCVFAG-IBGZPJMESA-N 444.597 4.639 30 10 IJEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872774988 IBIPBUZDXXTVPY-MRXNPFEDSA-N 440.452 4.983 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCO3)cs1 1872775104 KBFCAXNBZCFUEK-ZDUSSCGKSA-N 427.825 4.590 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2cc(F)c(F)cc2F)C1=O 1873057725 AHNFQUBFWICCBI-UHFFFAOYSA-N 445.485 4.729 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@H](C)CC)c2)=C(c2cc(C)ccc2C)C1=O 1873396483 KCXZQYHETQHJRQ-GOSISDBHSA-N 432.520 4.637 30 10 IJEE N#Cc1ccc(Nc2nc(N3CCOc4ccccc43)nc3c2cnn3-c2ccccc2)cc1 1873484085 GMLCXTRYIOCGPS-UHFFFAOYSA-N 445.486 4.961 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CC(C)C)ccc1OCc1ccc(Cl)cc1 1873502116 AFXGZVCHOCYUKT-FSJBWODESA-N 430.961 4.889 30 10 IJEE CC(C)(C)n1ncc(N/N=C/c2ccc(OCc3ccccc3F)cc2)c(Cl)c1=O 1873526589 MKZYZDBVFOXZSR-BRJLIKDPSA-N 428.895 4.816 30 10 IJEE CCCCCCCCNc1ncnc2c1ccc(=O)n2-c1cc(OC)c(OC)c(OC)c1 1873538185 BLVBJTGGJUGMKD-UHFFFAOYSA-N 440.544 4.579 30 10 IJEE Cc1c(CCC(=O)Nc2c(Cl)cccc2Cl)c(=O)n2c([nH]c3ccccc32)c1C#N 1873946689 IBYLHIHZCMKIAD-UHFFFAOYSA-N 439.302 4.839 30 10 IJEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874352602 SGZPRUXGNHCEII-CVKSISIWSA-N 429.549 4.873 30 10 IJEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccn2)c1 1874353872 GKYFOPQTBXQPSX-CVKSISIWSA-N 429.549 4.873 30 10 IJEE Oc1nc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)nc2ccccc12 1874467336 DKWVOVFSKIPNRU-WYMPLXKRSA-N 446.467 4.501 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1cccc(Cl)c1)Nc1ccc(F)cc1 1874516122 HNRZTGICNMECDV-FOKLQQMPSA-N 429.908 4.561 30 10 IJEE CCCCCOc1c(Br)cc(/C=N/n2c(C)nnc2SC)cc1OC 1874529354 FLPNTJPVRQCWRV-YBFXNURJSA-N 427.368 4.531 30 10 IJEE Oc1ccc(Br)cc1/C=N/n1c(S)nnc1Cc1cccc2ccccc12 1874565684 OULBIHPKXCIQTB-WSDLNYQXSA-N 439.338 4.661 30 10 IJEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccccc3)ccc2OC)cc1OC 1874700725 JNRPJZRMFCXXKM-FMIVXFBMSA-N 432.472 4.757 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 1875102551 WWDHHTXIIWDBJV-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 1891236226 ANLCNRAKQGSQKM-KRWDZBQOSA-N 449.378 4.806 30 10 IJEE CC(C)(C)c1cc(CCC(=O)N2CCN(c3ncccc3C#N)CC2)cc(C(C)(C)C)c1 1892003958 JVHAJJRIEINETJ-UHFFFAOYSA-N 432.612 4.830 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)[C@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1892137143 VIKXQGHHDXJACU-RTWAWAEBSA-N 427.957 4.552 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)C#Cc2cccs2)C1 1900808138 DFVLDKKRYCKNEN-DEOSSOPVSA-N 425.550 4.513 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(CNC(=O)OC(C)(C)C)nc1 1922238160 FWCHFWDHZYWDCX-QHCPKHFHSA-N 425.573 4.920 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](Nc2cc(Br)c(C#N)cc2F)C1 1962884458 MYUGHNBSGHJNHT-GXTWGEPZSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Cc2ccc(Br)cc2Br)C1 1980244413 QDVKRWNCFMGHIU-KRWDZBQOSA-N 444.167 4.905 30 10 IJEE CC[C@H]1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1996581205 ARNKNZOCQMMZTA-KKSFZXQISA-N 436.557 4.996 30 10 IJEE C=C([C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 1997456906 UMGBTOLDNBSHTN-UGKGYDQZSA-N 442.522 4.927 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2002377507 HXHFKBAUVRFICE-ATIYNZHBSA-N 428.617 4.858 30 10 IJEE Cc1nnc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)s1 2040582341 QWEOCIHEKPOVNG-IBGZPJMESA-N 437.908 4.682 30 10 IJEE C=C(c1ccccc1)[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2076577577 AHDAAVBIUGOJMB-IGKIAQTJSA-N 435.612 4.847 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)c(O)c1 2078978991 FGDXLMQACSUABU-BSNPHMGVSA-N 441.313 4.679 30 10 IJEE Cc1cc(C)c([C@@H](C)n2nc(C(C)C)c(C=NO)c2I)c(C)c1 2079998434 QVGJYFJHADKZGY-CQSZACIVSA-N 425.314 4.954 30 10 IJEE Cc1cc(O)c([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2080004172 WYDYIMKKYYYNLI-KRWDZBQOSA-N 447.320 4.733 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(C)c(Br)s1 2082335476 ICKFBXRRIHVVKT-AWEZNQCLSA-N 430.412 4.963 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)ccc2C#N)[C@H](C(F)(F)F)C1 2163264525 UJOGLTPADNHLCK-GXTWGEPZSA-N 448.283 4.778 30 10 IJEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1c1ccc(C#N)c(Br)c1F 2174814766 LFUQGFZOTJTDSH-RRFJBIMHSA-N 438.341 4.542 30 10 IJEE CC[C@H]1CCN(c2cc(Br)c(C#N)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 2174815425 SUYIZKHSIJXNFL-ZFWWWQNUSA-N 440.357 4.980 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180955352 ZJVVCOKQEWPDRC-CXAGYDPISA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@](C#N)(C2CC2)C1 2181049480 XOAPZMQKVFQQRB-HXUWFJFHSA-N 434.334 4.562 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)C1(C)C 2181106346 VFXZOXDHMLORDA-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(O)C#Cc2ccccc2Br)C1 2235716272 MLFJRJHXQTVAEK-FCHUYYIVSA-N 434.374 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](C(=O)C#Cc3ccccc3Br)C[C@H]21 2235734127 VZVAUSHYJAMXCE-YQVWRLOYSA-N 432.358 4.795 30 10 IJEE CCC[C@]1([C@@H](O)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235735050 SHEJVBVSSYFCQR-UGKGYDQZSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](O)C#Cc3ccccc3Br)C[C@@H]21 2235739749 JVLTZFUAJNQIDI-QGZVKYPTSA-N 434.374 4.587 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)OC1(C)C 2241479132 RXBPVTVQCNDRJR-UHFFFAOYSA-N 427.353 4.828 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 2296223290 OOUMLGFZGTUFDQ-QHCPKHFHSA-N 429.472 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@@H](N)C#Cc3cccc(Br)c3)ccc21 2296231694 HASSYFZQFKPOCL-IBGZPJMESA-N 427.342 4.798 30 10 IJEE CC1(C)C[C@@](C#Cc2cccc(Br)c2)(OCCN)[C@@H]1OCc1ccccc1 2296271783 HEUMZVVGVGKNBJ-FYYLOGMGSA-N 428.370 4.530 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2296275072 XNCBVECKKVFDQA-LQBOVUBWSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296276557 JFFMYXTVLNHIJE-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2306619057 YVHKCUHIRBCXOX-CPJSRVTESA-N 430.589 4.993 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccccc2F)cc1 2321075956 YAODILUGANGDQS-UHFFFAOYSA-N 441.532 4.518 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1OC 2322209631 WSYLHRCFCDFDMZ-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc([N+](=O)[O-])c1OCCCO 2323424119 UJZJPQYBVYICJW-UHFFFAOYSA-N 425.481 4.530 30 10 IJEE CCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc1[N+](=O)[O-] 2323866001 GJUCJBLBDGPZSO-UHFFFAOYSA-N 428.470 4.580 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1 2324430154 PKCHCAIWWRTDGM-LJQANCHMSA-N 448.500 4.642 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccco2)C3=O)cc1Cl 2324474275 AGZKBXAKTNMBPN-CYBMUJFWSA-N 439.851 4.964 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2325385032 YHQMZHOKHUWOMV-UHFFFAOYSA-N 431.444 4.733 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)o1 2325627967 KQENMYRUDPBNBY-UHFFFAOYSA-N 438.431 4.550 30 10 IJEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1[N+](=O)[O-] 2325690545 UMEXNCYDUADQPI-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(Cl)cc1 2326868123 RWMQARLBDDLBED-UHFFFAOYSA-N 432.933 4.827 30 10 IJEE C=C(CC(=O)C=Cc1ccc(C)cc1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 2328089864 XSGDSCDKEXOODR-UHFFFAOYSA-N 445.607 4.967 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCC)c(OCC)c1 2330408338 WVAOWCLFXVILMR-UHFFFAOYSA-N 428.583 4.888 30 10 IJEE C=CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331143957 RGXYURNHJPQWFJ-UHFFFAOYSA-N 432.427 4.676 30 10 IJEE CCOc1ccc(C=CC(=O)NCc2ccc(OC(=O)c3cccc(C#N)c3)cc2)cc1 2331248664 KKIPZXHVKDQPKO-UHFFFAOYSA-N 426.472 4.506 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)COc2ccccc2)c([N+](=O)[O-])c1 2331362834 NRHXKUMGDMLVIE-UHFFFAOYSA-N 447.443 4.792 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)c1cnc(C)cn1 2331371924 SKVCLUPDDQQIMK-UHFFFAOYSA-N 432.476 4.616 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(F)c2)c1 2331440155 IIVUPXCOAMLWJN-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE COCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331577652 UQLGLDSIZLJDGE-UHFFFAOYSA-N 445.932 4.777 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1 2332148805 JAWTYJUAOIGZPQ-UHFFFAOYSA-N 426.307 4.719 30 10 IJEE C[C@@H]1C[C@H]1N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339598924 JSPXYHXAEZMSSE-IEBWSBKVSA-N 444.381 4.751 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360194032 FCGUOKXNASUNDH-LWYYNNOASA-N 433.390 4.567 30 10 IJEE CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1 3042847 XVDFOOBVSZYEQQ-QYQHSDTDSA-N 432.524 4.626 30 10 IJEE COc1ccc(CN/C(=N\C(=O)Nc2cccc(Cl)c2)Nc2nc(C)cc(C)n2)cc1 14156705 QPJRPXDIELQSKP-UHFFFAOYSA-N 438.919 4.545 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C/Nc3ccc(F)c(F)c3)S2(=O)=O)cc1 20575707 NQKQFUONUWFJDC-ODLFYWEKSA-N 446.500 4.821 30 10 IJEE COc1cccc(/C=C2/Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)c1OC 33490433 VKKHKURFQLFSJF-OEAKJJBVSA-N 431.488 4.658 30 10 IJEE O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 33579702 ODCOJXPXDGFICK-TYULJFPZSA-N 442.876 4.733 30 10 IJEE CCOC(=O)CSc1nc(-c2ccc(OC(F)F)cc2)cc(C(F)(F)F)c1C#N 39858422 UDQVTFOMVKTKJV-UHFFFAOYSA-N 432.370 4.896 30 10 IJEE C=CCc1ccccc1OCCCn1c(CCNC(=O)c2ccncc2)nc2ccccc21 40184167 WHWSVUGJFOOHQC-UHFFFAOYSA-N 440.547 4.601 30 10 IJEE CCOc1ccc(C(=O)/N=C(/NCc2ccccn2)Nc2cc(Cl)ccc2OC)cc1 46125619 IWFACBSIXWIGAC-UHFFFAOYSA-N 438.915 4.540 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)cc1 59015635 MCYIPSQQJKBEKV-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE C=CCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1 66092077 LOHSZXYHQXVXKT-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE CC/N=C1\S/C(=C\c2ccc(OCCOc3ccccc3)c(OCC)c2)C(=O)N1CC 103748885 JIMMDGAROLUHEK-ISSOZRQYSA-N 440.565 4.855 30 10 IJEE C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC 169677994 CNVNWVGJKBALJK-XUZZJYLKSA-N 447.579 4.584 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949822 NDJKZBJSLQAXJE-HSZRJFAPSA-N 447.487 4.971 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccncc2)c1 170014871 RVDBJTCTKPLMKB-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1 170020034 OXOBZWCQTZWNPE-NRFANRHFSA-N 434.879 4.917 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccncc2)cc1 170026169 ALIZQEAMCLXZOM-FQEVSTJZSA-N 427.485 4.783 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)s1 170063760 BQUOTTXRAYXUDF-LJQANCHMSA-N 433.464 4.554 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2F)c1 170069160 WCLWSTKHGRDYFW-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCOCC2)C1=O 170069328 SCWUKIWUKQSJKF-UHFFFAOYSA-N 432.992 4.893 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170135066 GZLPNTNLQSNEGD-XMMPIXPASA-N 436.467 4.719 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(C)c2)cc1C(C)C 170143322 QHUIYYKMINHBQN-GBXCKJPGSA-N 449.547 4.884 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)cc1 170199326 DHKGCPQBKUZSIZ-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccncc1 170204378 CGIALGSOAMHJAY-QFIPXVFZSA-N 428.488 4.798 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 170233398 QUFMPZWEECJSCH-XMMPIXPASA-N 428.532 4.760 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 170234641 GPGSMENDSJABOS-FQEVSTJZSA-N 429.863 4.999 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccco3)oc12 170279868 KRNHDXSTUPOEOQ-IBGZPJMESA-N 435.457 4.874 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccccc1F)c1ccncc1 170380856 GQEJBYFOLCOOPJ-HSZRJFAPSA-N 443.478 4.604 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(Cl)c1 426162929 UCZQQEKHIDOIDD-LJQANCHMSA-N 429.307 4.845 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460950435 PWUUWLRIAFBXTI-DEOSSOPVSA-N 426.520 4.958 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 464347084 UZBGVZULUXRCLR-IBGZPJMESA-N 426.929 4.696 30 10 IJEE C=CCn1c(-c2ccccc2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508802053 OJZZOPKDGQGTGB-OAQYLSRUSA-N 433.943 4.737 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 509012037 ORERAQCFSUCWMF-UHFFFAOYSA-N 427.637 4.642 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3cccnn3)CC2)cc1Cl 524608992 BSWGOBOMNZQYMK-OAQYLSRUSA-N 446.942 4.530 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 549604303 ZDCHJBJVLWFOIL-RTFZILSDSA-N 434.515 4.636 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)cc1 555147600 OYJMVTSOLDECLW-LJQANCHMSA-N 431.540 4.605 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(=O)N(CC)CC)CC1 555253160 ZCIBKYQVFWBFRG-UHFFFAOYSA-N 449.521 4.625 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2Cc2cccs2)CC1 555437617 ZCSMOSOBGMRRNY-UHFFFAOYSA-N 429.553 4.575 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 580376090 LJZWPBIBANPKHN-HXUWFJFHSA-N 442.913 4.628 30 10 IJEE CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)n1 598954897 FKCCKVCHKSVSQK-HZPDHXFCSA-N 433.533 4.641 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@H](C)[C@H](F)C2)nnc1-c1ccc(Cl)cc1Cl 679248950 JXBKUMNPOYIPMB-BLLLJJGKSA-N 443.375 4.737 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCC2(C1)OCCO2 712796063 ISEKCPWONSFBNO-LJQANCHMSA-N 437.334 4.770 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCSC[C@H]3c3nccs3)c2)s1 771326685 AFDXCYOEGIGMMU-KRWDZBQOSA-N 426.592 4.743 30 10 IJEE C=CCOCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccsc1 790757486 JCJAILGAGKIDKK-LJQANCHMSA-N 443.594 4.528 30 10 IJEE N#C[C@H](C(=O)Cc1cscc1Br)c1nc(O)c2c3c(sc2n1)CCCC3 815899320 MLYPDVJEBIMBLI-LLVKDONJSA-N 448.367 4.519 30 10 IJEE C=CCN(C(=O)[C@@H](OC)c1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1128110679 DKHDDWILSLINTN-SFTDATJTSA-N 449.469 4.582 30 10 IJEE Cc1cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(C)n1Cc1ccccc1 1139787916 FPGMPMNFUNBEPJ-RUZDIDTESA-N 446.982 4.829 30 10 IJEE Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1191155501 GMVWGQHVAOMURG-GHTZIAJQSA-N 430.552 4.743 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(Cl)cc1F 1200137405 XMQHTVMJVUYKEZ-AWEZNQCLSA-N 433.764 4.649 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Br)cc2Oc2ccc(C)cc2)CC1 1219570593 PVJHCPLOJOPVAT-UHFFFAOYSA-N 442.357 4.769 30 10 IJEE Cc1ccc(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(O[C@H](C)CC(C)C)c1 1230388987 DOYCKPISAMWFBM-NLFFAJNJSA-N 435.568 4.963 30 10 IJEE C#CCCCCn1c(N2CCC(CC)(CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286335232 PDESPXHVEAEOAB-BGYRXZFFSA-N 443.636 4.869 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ncc(CC)s1 1286421036 MFILIGNWRQNJIV-KRWDZBQOSA-N 449.649 4.662 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1csc(CCc2ccccc2)n1 1286449416 XNOAHWKRFCEXMZ-UHFFFAOYSA-N 433.625 4.760 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C2CC2)c1 1286452098 BQMLAADXKQOFQV-QFIPXVFZSA-N 449.599 4.735 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H]1CCSC1 1286499703 UOZWMRQWHBIOTC-KRWDZBQOSA-N 432.684 4.584 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CCCC1 1286551357 HKCXMMXQFXSVNW-WIYYLYMNSA-N 425.533 4.603 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCc2c(C)noc2C)CC1 1286643891 ZUDRBAGRTUEMFT-UHFFFAOYSA-N 442.361 4.712 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cnn(CC)c1 1286684201 GOWOOJLASCELKD-UHFFFAOYSA-N 443.393 4.917 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286686014 ZZTAGVAIUIXCJL-FXAWDEMLSA-N 444.421 4.737 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC2(CCOCC2)C1 1286694526 DQRPICYZBFPFNM-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1286728379 XZSDWWWTKZYDIR-UHFFFAOYSA-N 426.586 4.548 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286749694 CPBJQJMCYIQEJI-CEQLMSFQSA-N 437.613 4.722 30 10 IJEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccs2)CC1 1287039564 HLVSZWAZYFAUNK-UHFFFAOYSA-N 449.628 4.816 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3cccc(C(F)(F)F)c3C2)CCCN1C(=O)OC(C)(C)C 1287552336 YHSJKRPNWKZMDL-QFIPXVFZSA-N 438.490 4.936 30 10 IJEE C#CCN(C(=O)CCC(=O)c1cccc(F)c1)[C@H]1CCOc2ccc(Br)cc21 1293513969 WAKFUZXBKMFSOA-IBGZPJMESA-N 444.300 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1C[C@@H](C)O[C@H](C)C1 1300282898 KCCJEQQNUUGDCP-RCCFBDPRSA-N 426.630 4.937 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(-c2ccsc2)nc1 1300314177 UARJWXFWEKNGOY-MRXNPFEDSA-N 449.530 4.777 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1c(C)noc1C 1300516942 VXGIVNPAQBHHDB-QGZVFWFLSA-N 447.608 4.757 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1300656514 IQNBYMGLGLSFEJ-LEWJYISDSA-N 438.616 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(O)(CC)CC 1300787574 LYJWEICUQJOYQE-HTAPYJJXSA-N 430.980 4.615 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC2CCOCC2)CC1 1301063657 HOXKTJDQRWPTJN-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](OC)C(C)(C)C)CC1 1301073208 YCLAIVVKQCRWEJ-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCC[C@H](O)C2)CC1 1301091979 QOERGOXDGQRHNB-VXKWHMMOSA-N 438.616 4.996 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCCCC)CC1 1301111848 HKXVHIDUWUJFCK-UHFFFAOYSA-N 442.567 4.841 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1301135841 UJBBMNQKIKVXSI-SSEXGKCCSA-N 444.670 4.582 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1C(C)C)c1ccccc1 1301168056 KYAMPCUQNTYGJI-XQUALCHDSA-N 438.616 4.987 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301198571 MXGZJWLCXQXIMK-LEWJYISDSA-N 425.646 4.908 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCC1 1301405486 HFVYSZJNQFNEBB-UHFFFAOYSA-N 425.964 4.522 30 10 IJEE N#Cc1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1Br 1310712267 ATQZSPQGQUULAE-UHFFFAOYSA-N 448.748 4.844 30 10 IJEE C[C@@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1c(Cl)cccc1Cl 1311801613 CLAGKYILWDEJGO-AWEZNQCLSA-N 435.330 4.639 30 10 IJEE CO[C@](C)(Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N)C1CC1 1315142495 DUNPOUFZMDHMBC-NXHTTZLHSA-N 427.618 4.685 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 1348998707 WTOYLHMMWPSEDP-ZEQRLZLVSA-N 426.516 4.924 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 1353086655 PIINYDSEONJQBX-IBGZPJMESA-N 441.753 4.834 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358883600 YLGHVPRNVLALIG-DLBZAZTESA-N 445.995 4.559 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCSc1nccs1 1358953686 FSHANEUAHLLJRK-UHFFFAOYSA-N 429.640 4.587 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(SC)CCC1 1358969951 ARZFQNYBLUBWSX-UHFFFAOYSA-N 443.620 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC(F)(F)C1 1358972891 WUXFZIKBCBMERH-INIZCTEOSA-N 447.327 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)OCCc2sccc21 1359109517 DTNUJTKOFCECIP-QFIPXVFZSA-N 444.004 4.946 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359120194 NTDITLLZVAHZDH-OAHLLOKOSA-N 425.558 4.775 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2noc(CC)n2)CC1 1359168813 KBIZBJHURFNKRI-UHFFFAOYSA-N 444.992 4.568 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1359211855 QSWSHXZPMQMSCD-IBGZPJMESA-N 427.911 4.677 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 1359255469 ZJXLXERPOVYKOS-UHFFFAOYSA-N 449.628 4.837 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCC[C@H]1CCCCO1 1359256015 RSKGZFLNFGJSJN-XMMPIXPASA-N 442.567 4.754 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CC1CCC(F)(F)CC1 1359261156 YINQNLAMMIPNCE-LJQANCHMSA-N 434.506 4.939 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nnn(Cc3ccccc3)c2CC)c1 1435003926 CLGGBOZHLYHALT-UHFFFAOYSA-N 426.545 4.779 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 1437616093 HNWCMBZUBJCCAF-GHTZIAJQSA-N 433.581 4.673 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2CCC(C)(N3CCCC3)CC2)s1 1439343929 BSRHRVOJTVQILC-UHFFFAOYSA-N 428.067 4.752 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](Sc3nc(C(F)(F)F)nc4ccccc34)C2=O)cc1 1458855370 HUMSYEBRWWUSTG-QGZVFWFLSA-N 428.439 4.808 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN[C@H](CCO)c3ccccc3)c2C#N)C1 1459837703 GCFVADKXQLSPTK-GHTZIAJQSA-N 439.625 4.813 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1ccccc1OCCC 1465710904 SIVOBLWKIJEZKE-LEWJYISDSA-N 430.589 4.986 30 10 IJEE C#C[C@H](CC)NC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 1467769918 HFSIKBKUWIOPCT-GFCCVEGCSA-N 445.755 4.589 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1Cc1ccc(OC)cc1 1469872450 UHBZSKYZDSJBJH-UYAOXDASSA-N 436.980 4.655 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)c3cc4occc4s3)CC2)cc1OC 1474312385 JLRGEYLHIDZIBZ-UHFFFAOYSA-N 446.956 4.679 30 10 IJEE C#CC[C@H](NC(=O)Nc1cc(F)c(Cl)cc1I)c1ccccc1 1476932437 YCRQXFYBVKPXEC-HNNXBMFYSA-N 442.659 4.970 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3)cc2n1 1477121922 HITVYHPWHCANGT-UHFFFAOYSA-N 435.528 4.569 30 10 IJEE C#CCC1(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2CC)CCCCC1 1478759247 QXVNTLUXPFTLNZ-OAQYLSRUSA-N 427.589 4.840 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](OC)C(C)(C)C 1507544168 SMCFNPGFIIQDJX-WIYYLYMNSA-N 426.605 4.674 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1507688368 YEFNTQGNIXLEKV-QGZVFWFLSA-N 445.995 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccc(F)cc1 1507762643 XGWLSSAYZMCIIP-QMHKHESXSA-N 439.922 4.592 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccccc2CO)CC1 1507785742 QKHDPMPDEPWJCM-UHFFFAOYSA-N 447.421 4.652 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(CN(C)CCCC)CC1 1507795357 DLAFTSGGFLSXHL-BJKOFHAPSA-N 443.680 4.865 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1507881549 WWJVCPIAWUCLBT-UHFFFAOYSA-N 448.880 4.806 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)N(CC)CC)CC1 1507882774 WHBKPEIDWHJUKK-IRLDBZIGSA-N 425.621 4.922 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2occc2C)C1 1508117472 NWTSROFXHUWHLI-CQSZACIVSA-N 449.374 4.500 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1Cl 1524998489 CAVJJZTXCNQYTR-WCQYABFASA-N 436.726 4.749 30 10 IJEE C=CCCC1(CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC1 1528533872 AGBOZBZYOBGRCW-UHFFFAOYSA-N 447.417 4.944 30 10 IJEE C=CC1(CC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Br)cc3)C2)CCCCC1 1529283782 SRQVTDRZELLPIL-RBUKOAKNSA-N 434.374 4.691 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 1529683795 KNTAOIBOKWFXQE-KRWDZBQOSA-N 442.353 4.912 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)s1 1530277239 HDDNIUYDHGPBNX-UHFFFAOYSA-N 440.381 4.711 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCCCSC 1538983770 XBJIOINPKKZTPV-AWEZNQCLSA-N 439.398 4.838 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccccc1OC 1538984198 CZWFCWARXUZYLH-ROUUACIJSA-N 434.609 4.841 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)OC[C@@H]1C 1539051740 GTPUFWSHOAYPAO-AWEZNQCLSA-N 437.407 4.576 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CC2(CCOCC2)C1 1539194260 VGWMKGKGMQONKR-UHFFFAOYSA-N 436.600 4.565 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCC1(C)C 1539395215 AGVWQOFMUOTQDV-OALUTQOASA-N 445.007 4.984 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](C)c1nc(C)cs1 1539566402 JQJLEYIXOYAANE-MHECFPHRSA-N 435.597 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCc1ncc(CC)s1 1539675909 FDNQTWZAVTVGFV-UHFFFAOYSA-N 434.613 4.945 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1539729504 QLFCMUFBWXASHH-CALCHBBNSA-N 449.368 4.532 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2CN(CC)CC)CC1 1539891434 BVKJVLFCXHNQSO-UHFFFAOYSA-N 444.627 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 1539926743 UDQLWCBPFXQTKE-HSZRJFAPSA-N 448.615 4.628 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC(C)C)C1 1539961240 RBLOAQZQACKVND-FQEVSTJZSA-N 448.615 4.904 30 10 IJEE CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1540472237 HZPPUIWBUYDXJM-PGRDOPGGSA-N 447.476 4.822 30 10 IJEE C=CCn1c(CC(C)C)nnc1N1C[C@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1540858655 ROHXUPFKMITWSG-JLCFBVMHSA-N 447.942 4.759 30 10 IJEE Cc1ccccc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C#N 1542766132 IFSCVGADVIPWLN-CYBMUJFWSA-N 430.375 4.722 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3c3ccccc3)ccc2c1=O 1557137027 DZENTMPZWBTFCD-DENIHFKCSA-N 433.577 4.670 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1C 1557524388 XMVNCOIYKGZGIH-SFHVURJKSA-N 431.533 4.587 30 10 IJEE C#CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)CCC1 1558479984 AWJRJNGVDGCNKL-UHFFFAOYSA-N 438.593 4.814 30 10 IJEE CC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)c(F)c1 1562076311 QSCUMUZAVPHVTH-UHFFFAOYSA-N 447.535 4.844 30 10 IJEE C#CCOc1ccc(NC(=O)N(CCCNC(=O)OC(C)(C)C)CC2CCCC2)cc1 1562371007 SCMYFBMTSHKICM-UHFFFAOYSA-N 429.561 4.638 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)c(Cl)cc1I)c1ccc(F)cc1 1563126049 WBLFGVFISFFJGS-CQSZACIVSA-N 446.622 4.719 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 1564603999 WLDLHMRFUKXDJX-FPOVZHCZSA-N 434.870 4.733 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1F 1565002678 MSCCXBPLQBTTID-OTWHNJEPSA-N 425.262 4.775 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](C)C[C@H]3c3ccc(CC)o3)ccc2c1=O 1566092112 VXPZPBJAHPHTIX-YWZLYKJASA-N 437.565 4.640 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(C)c(S(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1583128668 MAVHRCSLZSRAGZ-GOSISDBHSA-N 425.472 4.855 30 10 IJEE C#C[C@@H](CC)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1583570536 GEIJSMDPFJXWON-ZDUSSCGKSA-N 429.364 4.540 30 10 IJEE C#CCO[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1Oc1cccc(Cl)c1 1584497729 RJYFEINMXAJUBM-CQSZACIVSA-N 436.733 4.892 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccc(COc3cccc(F)c3)cc2)cc1 1584750439 BKWVDVMWIYOYLO-VWLOTQADSA-N 429.495 4.562 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC1(CCOC)CCCCC1 1588298259 ZEDLGRDLKLYZLI-UHFFFAOYSA-N 431.584 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1cccc(F)c1 1589176937 CRMBCHSTLMBJKF-WAIKUNEKSA-N 439.922 4.592 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1589316368 ANNSNFHKAKILRJ-UHFFFAOYSA-N 439.144 4.625 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H]1CCCCO1 1589316414 BKGRTVHBXLFQEC-MRXNPFEDSA-N 431.334 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(OCc2ccccc2)CC1 1589544590 IWVCVOGDNIZJSU-RDGATRHJSA-N 438.616 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1589545662 OLZUEWZADJCQLZ-CUYJMHBOSA-N 438.616 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCc1ccc(Br)cc1 1589658065 RKXZCECUXIMWEK-LJQANCHMSA-N 433.394 4.927 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1589669405 TVTUBESGSGLLBM-GOSISDBHSA-N 425.964 4.787 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1593600469 KSADXXVYRXBLAV-MRXNPFEDSA-N 445.901 4.896 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1593729069 HNUNHUSPPYDDAZ-UHFFFAOYSA-N 445.567 4.625 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(F)F)C1 1593763898 SNJBVTZOSUVOSG-LJQANCHMSA-N 434.531 4.548 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1594698441 RAMWRQBOMWROJG-SFHVURJKSA-N 442.951 4.649 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1C(C)C 1595658896 MJKHXLAZVJZEGL-OAQYLSRUSA-N 437.613 4.872 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)CCc1ccc(C#N)cc1)C(F)(F)F 1617392152 DPYAOUUDJKFQAP-NRFANRHFSA-N 440.469 4.756 30 10 IJEE N#CCC1CCN(c2nnc(C3CCCC3)n2Cc2c(F)cccc2OC(F)F)CC1 1620357303 DRUZDAYXXNEKDK-UHFFFAOYSA-N 433.478 4.855 30 10 IJEE C=CCC1(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)CCCCC1 1627636338 YLXWTQSYNBRICD-UHFFFAOYSA-N 431.627 4.904 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1629102560 LVENIGKZTCLCAC-MRXNPFEDSA-N 427.220 4.521 30 10 IJEE COC(=O)c1cnc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 1634169635 HXNHKMVCXQWNJI-HUUCEWRRSA-N 434.521 4.590 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1ccccc1F 1640706526 TUJCYILFDWPBIS-IBGZPJMESA-N 426.492 4.697 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccccc1 1643353175 DWVKAYJAUUZYPZ-SFHVURJKSA-N 428.920 4.821 30 10 IJEE CCOc1ccc(C(=O)COc2c(Br)cc(Br)cc2C#N)cc1 1644269861 IDDPBTSYDXOIRO-UHFFFAOYSA-N 439.103 4.744 30 10 IJEE C#CCN(C(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1652387188 SLXYSLNHHWICKX-RUZDIDTESA-N 430.548 4.730 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 1653271640 KIUYAPKGKOKMTF-AREMUKBSSA-N 438.999 4.868 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@@H]1CCCc2ccccc21 1654898213 RXQWZWMFUFQFDI-AREMUKBSSA-N 437.543 4.890 30 10 IJEE C#C[C@H](NCc1cc(OC)c(OCC(F)F)c(OC)c1)c1ccc(Br)cc1 1658192831 FRNQCIUHWIBCAR-INIZCTEOSA-N 440.284 4.574 30 10 IJEE Cc1cc(CN(CC(C)C)C(=O)Nc2scc(C)c2C#N)nc(N2CCCCC2)n1 1661563445 BMDJYBGEJRUPFN-UHFFFAOYSA-N 426.590 4.707 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)c(OC)cc1Br 1664401095 CHJLJNKBMMEZKI-AWEZNQCLSA-N 444.778 4.577 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OCCC)c(OCCC)cc1[N+](=O)[O-])c1ccc(F)cc1 1665044457 VIXRDIZYKNLMBG-KRWDZBQOSA-N 429.448 4.808 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)c1 1666748530 VZBOLVMBJGSVQM-UHFFFAOYSA-N 431.458 4.624 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[C@@H]2CSc3ccccc3O2)cc1 1668389280 IEHCLWCTVKBLCC-HXUWFJFHSA-N 437.565 4.566 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccncc1)Cc1cccs1)c1ccc(Br)cc1 1674030625 IGIXHFULHOHJFS-FQEVSTJZSA-N 440.366 4.992 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(Cc4ccc(C)nc4)C[C@H]3[C@@H](C)CC)cc2n1 1675013070 QLZUJAKXOFPFTA-DFBJGRDBSA-N 446.599 4.690 30 10 IJEE C=CC[C@@H](CO)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1678366393 VEZOGRBJCBYWOM-ZDUSSCGKSA-N 430.373 4.512 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1681551940 JSOSMIOGPAOSIN-WRWLIDTKSA-N 437.531 4.965 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCS1 1689838147 UBISHBYKYVLZSK-OCCSQVGLSA-N 439.810 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@@H]1C 1690192876 FGNLRYLJSCDTAC-WDZJFXIESA-N 435.616 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCN(C(C)C)C(C)C 1690212882 VUVLYNCTVFJOGW-AREMUKBSSA-N 437.632 4.585 30 10 IJEE C=C(Br)Cn1c(N(C)CC(F)(F)F)nnc1C1(c2ccccc2)CCC1 1690233419 GPXCWVAKGFWITE-UHFFFAOYSA-N 429.284 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H]1CSC 1690250929 NFBXYQSEIJDSNT-AKFKNWHVSA-N 440.657 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC1CCN(Cc2ccccc2)CC1 1690268327 GPVANHSQLQUSDR-UHFFFAOYSA-N 444.627 4.579 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1690347450 FWVOCANNVSJMMK-UHFFFAOYSA-N 426.948 4.812 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2cccc(Cl)c2)CC1 1690369041 VWOUYENPCIMFEZ-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1690434710 DKGJYQQPMBHDKC-SANMLTNESA-N 431.584 4.618 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1690451913 SNXXMROGRVUTCV-HSZRJFAPSA-N 435.616 4.768 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1690469456 PTKAZONMQMCZKL-BHDDXSALSA-N 429.653 4.618 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCc2cc(Br)ccc2C1 1690497761 WKGFMRSCPATYTM-INIZCTEOSA-N 433.394 4.710 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](c1ccco1)N1CCCC1 1690532394 NIKRWYGVCFJGIB-NRFANRHFSA-N 435.572 4.526 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccccc1Cl)N(C)C)C1CC1 1690543580 JKKBZZLQHITFPZ-NHCUHLMSSA-N 429.996 4.631 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCN1CC 1690569636 KVTFZYMWFYXLQX-NRFANRHFSA-N 434.563 4.546 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)cc1F 1692348729 FWJJVZYXKDZKPK-UHFFFAOYSA-N 440.954 4.871 30 10 IJEE CC(C)N(CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1692482891 HXVNBCCNLWDGBZ-SANMLTNESA-N 447.631 4.599 30 10 IJEE CCc1cnc(CCn2c([C@H](CC)c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)s1 1694551593 CPQNDKVVTKNWJD-XXBNENTESA-N 438.576 4.524 30 10 IJEE CCOc1cc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)ccc1OC(F)F 1696105018 CYSKADHVBOVXJO-HNNXBMFYSA-N 435.519 4.511 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705527840 LSCXFWRADDVOHT-CQSZACIVSA-N 426.870 4.799 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccoc1C 1705531007 VHWMPBYQBMEKPY-UHFFFAOYSA-N 443.345 4.667 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1705608270 KWFHKTPHSQMIIZ-MHECFPHRSA-N 444.023 4.577 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H](C)CC1 1705653329 FFTPZECSADIEAW-WOJBJXKFSA-N 442.629 4.810 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)s1 1705653543 JYFFJPLIPZFHJM-QGZVFWFLSA-N 444.601 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@@H](C(C)C)N(CC=C)CC=C 1705673491 ATUNYTXVWWJNBF-JYFHCDHNSA-N 435.591 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1705697269 KWBXQHAGSLEBTC-KWNHSTDBSA-N 433.600 4.931 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705739937 WSEDBWSPASHXFG-NRFANRHFSA-N 446.542 4.630 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OCCCC)CC1 1705778928 OSGHNEAARRMYTD-UHFFFAOYSA-N 447.583 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705793206 PIXVHUKFELVFLD-LJQANCHMSA-N 449.565 4.852 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705815012 IJSFJCAGRPQEPG-FYYLOGMGSA-N 432.616 4.874 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1705816506 IWHYPPZFDJTEHB-HSZRJFAPSA-N 430.600 4.573 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCc1cccc(C)n1 1705837564 GMHCFAVWFAGING-UHFFFAOYSA-N 432.391 4.728 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCC[C@@H]1C 1705865142 GTDABSXDOVIFNU-MHECFPHRSA-N 438.597 4.759 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1c(C)nn(C)c1C 1705944300 AQGWLQCPUYKZEN-UHFFFAOYSA-N 431.009 4.504 30 10 IJEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)CC1 1706652575 AHZWYKMBMWIHJF-UHFFFAOYSA-N 442.558 4.609 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1CC1(C(C)C)CC1 1712441813 BDWGFYAWUMMFRF-UHFFFAOYSA-N 433.556 4.807 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C(C)C)C(C)C 1722475061 NVOQSOZRXYXHFC-XLGIIRLISA-N 443.680 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1722496253 WIROZKLAGATQAJ-KKXYHZGYSA-N 426.630 4.819 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1722521488 MRRHHNPTNVDXFZ-SFHVURJKSA-N 428.577 4.712 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1722537390 NOZKZAKVONMNEG-HRAATJIYSA-N 432.515 4.514 30 10 IJEE C=C(C)Cn1c(N2C[C@H](C)[C@H]3CCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553190 HNCVPFZZMWQNTJ-CENDIDJXSA-N 429.609 4.640 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CC(F)(F)Br)CC1 1722579599 JBKHZYAMIAXMNQ-UHFFFAOYSA-N 439.348 4.844 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCCC[C@H]2C)CC1 1722581798 DWJHJZAYTRZJCD-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C2CC2)C1 1722584072 AWKWOAJQNWKSNE-INIZCTEOSA-N 432.410 4.885 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1722604734 JJFGTFOODZRKCY-UHFFFAOYSA-N 429.584 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCS1 1722634337 CTVBZXKFOZFJKZ-CYBMUJFWSA-N 427.799 4.879 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1cc(Br)cs1 1722674043 CORXEQYNWUKPPI-UHFFFAOYSA-N 435.416 4.981 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCO[C@@H](C)C1 1722674198 PBTTWEXYXWSVSK-FCHUYYIVSA-N 434.584 4.821 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C)cc1SC 1722676235 WLQJLCRXODMXLJ-UHFFFAOYSA-N 444.608 4.774 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](OCC(C)C)C2)cc1 1722704679 MUJUBNXVQJTMDI-JOCHJYFZSA-N 426.605 4.731 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCSCC(F)(F)F 1740535593 RZKNNRPTTOVQFK-WBVHZDCISA-N 440.535 4.788 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSC[C@@H]1C 1740568175 ZSBUHKXQOSOVQM-RBUKOAKNSA-N 428.602 4.562 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1740579487 STODCQBWWPEYHE-OALUTQOASA-N 431.625 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)s1 1740751509 LALZOAUBPHJOHM-YOEHRIQHSA-N 439.423 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1740769647 PQFDMMQAEIOHFM-BGYRXZFFSA-N 440.592 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCSc1ccc(C)cc1 1740772032 GRFWAFCVBMNFPU-UHFFFAOYSA-N 439.585 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1740773364 ULNGIQXSQBPZFH-PCCBWWKXSA-N 443.636 4.841 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740889264 YKUZELASOSOULS-FNAHDJPLSA-N 430.637 4.806 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1C[C@@H]1CSCCS1 1740915879 WKOOLJNNSJQNFN-YLJYHZDGSA-N 432.659 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(C)(C)O)c1 1740921605 BQVBGOTVXNCGSN-UHFFFAOYSA-N 433.581 4.803 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2csc(CC)n2)C1 1740975410 OULDZYMLJSDVMD-IBGZPJMESA-N 444.004 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCCn1ccnc1C 1748686342 NLRFUOVRAMWEOJ-FQEVSTJZSA-N 448.615 4.598 30 10 IJEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1749016891 HKTKJGGQWXTGPU-NEWSRXKRSA-N 449.521 4.985 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1749023013 OVLWREPXOSRPSD-HYBUGGRVSA-N 437.613 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)CCC 1749059135 XBZYGHWZCCNIPN-PKKBDPGCSA-N 426.630 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1749156070 QRWROGYOHDTROV-VQTJNVASSA-N 447.624 4.569 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCN(CCC)CC1 1749174040 AHMVENOFKLIGJA-GOSISDBHSA-N 432.012 4.958 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1749218010 GGMZXKZZAXUDQI-VQTJNVASSA-N 432.996 4.831 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1749218229 JANROLFOCAHMAR-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H](C)C1CCC1)c1ccccc1 1749242780 SERWPCAZPAWYMH-LJQANCHMSA-N 430.556 4.654 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749363918 KRKHBJXRBHUGNB-LJQANCHMSA-N 448.615 4.771 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(N3CCOCC3)cc2)nnc1C(C)(C)C 1749376676 BGWYWOFJEQEOOO-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)nnc1C(C)(C)C 1749377132 MGIVPNATEVTVAP-LJQANCHMSA-N 438.620 4.736 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC(NC(=O)CCC)CC1)c1ccccc1 1749382688 OVPXPHVTHALYEN-QFIPXVFZSA-N 435.616 4.791 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(OCC2CC2)nc1 1749474463 VPPCKZVRSFKAHN-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1CC 1749528165 FSUWVOVNQKTCOS-NRFANRHFSA-N 435.572 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCN(C(C)C)C1 1749564358 VGYSCXWFRPLTKF-LJQANCHMSA-N 444.023 4.906 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](COC)C1 1749745648 CODCSCBGGJRNMT-MSOLQXFVSA-N 446.686 4.913 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)c2nccs2)cc1 1751584695 AFQBTGNTTWWLOI-QGZVFWFLSA-N 438.626 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCCS1 1760119655 CAJBOYCRPIFDDL-AZUAARDMSA-N 447.048 4.995 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760132484 JHEPXPGJIZXCES-NRFANRHFSA-N 444.526 4.637 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1760136963 MLKSIACRGOEHCC-SFTDATJTSA-N 446.954 4.694 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1Cc2ccoc2CC(C)(C)C1 1760283014 ZASDUXZGZKCQOP-UHFFFAOYSA-N 434.609 4.726 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCc1ccccc1C(F)(F)F 1760296359 OKDSYQHBVUCPGH-HSZRJFAPSA-N 439.485 4.518 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1760310590 AGUHSPUOUBUPKF-UHFFFAOYSA-N 441.295 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)CC 1760333929 IIRJZVCXQSXAQU-VIZSFHNOSA-N 434.588 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1760410413 DCUSQJNZIPGSKI-UHFFFAOYSA-N 431.588 4.892 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)C)CC1 1760431979 DINVIHBEMQYNJE-LJQANCHMSA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCN(C)C1CCCCC1 1760488271 QDOHOMOJHGCKTG-OAQYLSRUSA-N 429.634 4.648 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](SC)C(C)(C)C 1760495643 TUKKBCNYNRODBE-WOJBJXKFSA-N 428.602 4.747 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760560522 XVOXIZDPPHQQNR-BWAGFHJFSA-N 426.630 4.743 30 10 IJEE CCN(CC1CCN(c2ccccn2)CC1)c1nnc(-c2cccc(C#N)c2)n1CC(C)C 1765180435 HCVFBBOVGYBYHL-UHFFFAOYSA-N 443.599 4.611 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](CC)C1 1765307427 HMLFUFBXOWVTQN-TUNNFDKTSA-N 439.629 4.887 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1770385815 CBMFLMBOZRHQBH-OPYAIIAOSA-N 425.577 4.533 30 10 IJEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2CC2CCC(C(F)(F)F)CC2)CC1 1770754107 BEDGHPKGKBUECU-UHFFFAOYSA-N 446.521 4.763 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCCCCCO)CC1 1772554884 XGKPXLOZPSSTMX-UHFFFAOYSA-N 433.394 4.663 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)SC1=Nc1ccncc1Cl 1772733948 BPDAPLLBFXNCMW-UVYYMYQDSA-N 445.928 4.551 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccccc4F)oc3c2)nc1C 1859737304 XBBTVYDLQBLRHQ-UHFFFAOYSA-N 437.452 4.994 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)n(-c2ccccc2Cl)n1 1862363299 DBHIUOPGNJFUOG-UHFFFAOYSA-N 435.911 4.778 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)cc1 1862389725 MEJBEVXMOPSOEG-XMMPIXPASA-N 442.515 4.908 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1ccccc1)c1ccccc1Cl 1862429732 TZWQXJPXVUVHLY-JOCHJYFZSA-N 447.874 4.847 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862436099 LPCLTVHTXZOJJI-LJQANCHMSA-N 428.872 4.873 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862520064 ZGUKZDUVOICWBG-NRFANRHFSA-N 438.480 4.618 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862527232 SOPBTKSEEGCBSE-IBGZPJMESA-N 439.309 4.919 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862556651 BNRJBAVUNULMLM-QHCPKHFHSA-N 434.536 4.969 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590842 RHCLTYWQYANSRN-HSZRJFAPSA-N 431.463 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592483 DNDCTUZXRWKPGB-QHCPKHFHSA-N 425.440 4.917 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2cccc(Cl)c2)C1=O 1863054153 DQWOEHBOYNXPKC-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCC)c(OCCC)c2)=C(c2ccc(C)cc2)C1=O 1863274671 IBZDYQFWACNQCI-UHFFFAOYSA-N 434.536 4.951 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2C)=C(c2ccccc2F)C1=O 1863305426 YGBYNJVFQNOLOU-UHFFFAOYSA-N 429.289 4.583 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1863485892 OUHGBCUSSYFRDX-UHFFFAOYSA-N 433.920 4.708 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(C[C@H]2CCCO2)C1=O 1863651949 PGQWAGMGKOMBDO-LJQANCHMSA-N 448.554 4.954 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc3cc(Br)ccc3[nH]2)c(C#N)c1C 1865975500 AQKHBLXOSHPRJP-UHFFFAOYSA-N 432.299 4.601 30 10 IJEE COc1cccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3C[C@@H](C)OCC3(C)C)n2)c1 1868515836 HKYQABSSUHAOPT-QGZVFWFLSA-N 429.524 4.771 30 10 IJEE COc1ccc(CC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1OC 1870147191 COFJZIPNHGCMSX-UHFFFAOYSA-N 447.539 4.584 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1Cc1ccc(O)cc1 1870769159 GOYFAEZKBZCONJ-UHFFFAOYSA-N 430.548 4.664 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1O/C(=C\c1sccc1C)C2=O 1871392873 ZKEREFAIBUCUJS-UYRXBGFRSA-N 443.565 4.852 30 10 IJEE Cc1c(OCC(=O)OCC(C)C)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871427520 IOIISYOQMOQNNE-GRSHGNNSSA-N 445.309 4.952 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 1871949842 VTCZXVFRTYTCKY-IBGZPJMESA-N 441.380 4.978 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccccc1 1872082280 MMTWGAUACPAGPJ-JOCHJYFZSA-N 446.638 4.576 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccccc1 1872103403 SUCWGHBZTXKKFC-QFIPXVFZSA-N 425.554 4.542 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872249874 NKYODQXMEBYSAN-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C)S(=O)(=O)c1cccs1 1872354812 SXMAEAHLBJSULZ-KRWDZBQOSA-N 446.516 4.607 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872764835 ZLTSEWFGYVPMLC-NBHGPNQESA-N 445.544 4.605 30 10 IJEE CCCCCCCCNC(=O)CC1(CNS(=O)(=O)c2ccc(F)cc2)CCCCC1 1873886288 PDNHIYMAHBCSTL-UHFFFAOYSA-N 440.625 4.921 30 10 IJEE OCCCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1 1874198745 QGQOCYPOFGBREN-LGUFXXKBSA-N 446.576 4.800 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1O 1874217871 XTMROCZWTGUOPM-FOKLQQMPSA-N 446.960 4.836 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874258717 FLCGNCGUCQDLSP-HZHRSRAPSA-N 437.525 4.878 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SC)cc1OCC 1874325629 YZQKWVPEQVCPNZ-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1874427967 KVCDLXOBJIIOGQ-PCLIKHOPSA-N 428.517 4.906 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1Cl)NC1CCCCC1 1874467235 YSTGZRGLLSEONM-YDZHTSKRSA-N 443.960 4.615 30 10 IJEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1nc(O)c2ccccc2n1 1874490921 QYTYLOJUMJTMCH-ZMOGYAJESA-N 432.553 4.608 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)NCCC)nnc2C2CCC2)cc1 1874494773 YNGYEYZXNUIMLP-PCLIKHOPSA-N 443.617 4.615 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cc(C)ccc1O 1874510309 MOTSJUDELLHXGQ-ZMOGYAJESA-N 437.569 4.591 30 10 IJEE CCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1OCC 1874561590 YIKNGRBXKJVKNN-HZHRSRAPSA-N 426.542 4.606 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)OCC(C)C 1874618679 NRWWHIRIBYHKNV-RMKNXTFCSA-N 430.472 4.625 30 10 IJEE C#CC[C@H](C(=O)Nc1cc(Br)c(Br)c(Br)c1)C1CC1 1887274968 DACFUPZVACZPMR-JTQLQIEISA-N 449.968 4.962 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CC(C)(NC(=O)OC(C)(C)C)C1 1947415931 UXRNRKHPGFCINO-UHFFFAOYSA-N 431.533 4.776 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Br)ccc1Cl 1963794957 GORIMNIAYYYDEH-OAHLLOKOSA-N 431.758 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(c3cc(Br)c(C#N)cc3F)C[C@@H]2C1 1965552682 NRFCJJHBEMTJTB-UKRRQHHQSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(CCCB2OC(C)(C)C(C)(C)O2)C1 2044530143 DNVYCGQKURVALJ-GOSISDBHSA-N 430.398 4.672 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)c(C)c1 2079070682 JQBFEALANSWUGW-NPNVKNKFSA-N 425.314 4.819 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@H](O)CC#C[Si](C)(C)C 2130928105 YXRPMIMOPLUBKC-QZTJIDSGSA-N 440.454 4.517 30 10 IJEE COC[C@@]1(CNc2cc(Br)ccc2C#N)CCCCN1C(=O)OC(C)(C)C 2162418604 UCTOTQPOOZWLMI-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2cc(Br)cc(F)c2C#N)C1 2163694720 ZUVSRXVPULWRFH-NSHDSACASA-N 448.283 4.764 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3Nc1ccc(C#N)c(Br)c1F 2169552938 UNPZNLDEYMPDIW-CAAARAIESA-N 436.325 4.516 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(c3cc(Br)c(C#N)cc3F)C[C@@]2(C)C1 2174811557 ZHDOIORYGXWJEP-PMACEKPBSA-N 438.341 4.543 30 10 IJEE Cc1cc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)ncc1B1OC(C)(C)C(C)(C)O1 2190480144 ZALPJISHSBDEEG-ZPFZUWPUSA-N 448.416 4.509 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C 2220388375 QXDLLISVYTVYPN-BCHMZHATSA-N 446.632 4.524 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1cc(I)ccc1F 2235735557 ZDKSHHYAYKSWKK-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2255377441 OEFYXDMPWVMMFH-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)cc1 2268647861 SHFWLRSDPSIHJL-LJQANCHMSA-N 442.365 4.508 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCCN)c1c(F)ccc(Br)c1F 2277209096 JOFFCRJVDQWXCC-HXUWFJFHSA-N 426.301 4.907 30 10 IJEE C[Si](C)(C)C#C[C@H](OCCCN)c1cc(Br)c(Br)s1 2277375722 XUNKLRHHXOMRDJ-NSHDSACASA-N 425.262 4.560 30 10 IJEE CC(C)(C)C#CC=CC[C@H](NN)c1ccc(Br)cc1I 2284085035 YTCNBCRWIWPSLQ-HNNXBMFYSA-N 447.158 4.554 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2288287649 RJJNSOATISHQGJ-ODULNIPZSA-N 433.390 4.602 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2296223880 DWMQPWYDJCTVCM-LEAZDLGRSA-N 433.390 4.567 30 10 IJEE CC(C)[C@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1cccc(Br)c1)C(F)(F)F 2296225024 QDWULOSWSUFWHZ-SFHVURJKSA-N 448.279 4.852 30 10 IJEE CCCC1([C@H](O)C#Cc2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1 2296273929 RIGBYTKVLYGOPS-LJQANCHMSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@H](N)C#Cc2ccc(Br)cc2)CC1 2296300590 KHLQOBYNCJFQRU-NCYVPVAZSA-N 439.369 4.551 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 2296766049 OXAJWMHQGZRGPP-QHCPKHFHSA-N 438.955 4.660 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)OCc3ccccc3)ccc2C1=O 2296871254 HKPNQLFQNWHMOZ-UHFFFAOYSA-N 430.456 4.824 30 10 IJEE O=C1C(=CNCc2ccccc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 2297378457 SEURUFMGLCVJMY-UHFFFAOYSA-N 444.965 4.565 30 10 IJEE C=CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1ccc(C(=O)O)cc1 2314926776 RMVLEPXLOLBTOT-UHFFFAOYSA-N 443.322 4.937 30 10 IJEE CCCCCCCCCOc1ccc(C=Nn2c(SC)nnc(C)c2=O)cc1OC 2318413583 NQOGSQATHJEYJR-UHFFFAOYSA-N 432.590 4.689 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)cc1 2322328629 PGQYIWIYIJVBAW-UHFFFAOYSA-N 433.504 4.882 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1ccccc1Cl 2323400503 QIKXKIYVWFIINM-IRLDBZIGSA-N 435.008 4.572 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)c(C)c1 2323419891 PREGIFMASHOVBI-UHFFFAOYSA-N 428.941 4.848 30 10 IJEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323934010 PAIUPQSQHDRZJV-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCC(CO)CC1 2324173538 PDZVAUNQJPGEDD-UHFFFAOYSA-N 434.319 4.520 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(C(C)=O)c3)ccc2C1=O 2325382892 XUUDFEAKXIHMOW-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 2325713850 ALKKONJUYDKJON-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3F)ccc2C1=O 2325739042 GVJDERALIWXKHY-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE CC(C)c1ccc(C=CC(=O)NC2CCC(OS(=O)(=O)c3ccc(F)cc3)CC2)cc1 2325883655 IIHLFFQOZKXJDN-UHFFFAOYSA-N 445.556 4.795 30 10 IJEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2325911150 WHTUIZUQFMAMEQ-UHFFFAOYSA-N 436.368 4.834 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2327976818 WLKNCKIJZPNXHT-UHFFFAOYSA-N 425.989 4.943 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(O)c(OCC)c1 2328584513 DWBOUHXPJBAXHV-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE C(=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1)c1ccccn1 2328746256 JEALIUZZGHLHRJ-UHFFFAOYSA-N 429.549 4.859 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)ccc1O 2331048400 YAUVOYLFWHDQFK-UHFFFAOYSA-N 441.488 4.863 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccccc1F 2331326233 NXCUCFUZRYYJKB-UHFFFAOYSA-N 439.560 4.935 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cncc(C)c1 2331403973 PCTNWLIFGSXRIU-UHFFFAOYSA-N 445.471 4.675 30 10 IJEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)C3=NNC(=O)CC3)c(Cl)c2)cc1 2331414684 YTWCDAWCHWEUFD-UHFFFAOYSA-N 438.911 4.705 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)c1OC(=O)CC 2331886921 GNJWKGAGCICHOI-UHFFFAOYSA-N 448.899 4.976 30 10 IJEE C[C@H]1CC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339598436 CMPLISOKRJSKMB-PKOBYXMFSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1F 2342467982 CMPXBMVOROZHQB-QHCPKHFHSA-N 448.344 4.871 30 10 IJEE CC#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Br)C(=O)OC(C)(C)C 2363134898 FORLITSQRLXWJV-UHFFFAOYSA-N 449.267 4.667 30 10 IJEE Cc1cc(CNCC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676972 FXIABZXCRWCDGO-DHLKQENFSA-N 448.460 4.542 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCCCC3 9194828 ILFUZDQRZCBHNM-UHFFFAOYSA-N 425.579 4.644 30 10 IJEE CCCCOc1cccc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccc3)n2)c1 21081367 PIWWLUWTPHUUIE-PCLIKHOPSA-N 438.557 4.551 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/S)NCCc2ccccc2)cc1 22734946 ITPWJLYAQFBIJP-UHFFFAOYSA-O 448.568 4.606 30 10 IJEE N#Cc1c(SCCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1C(F)(F)F)CCCC2 27751041 WZAWWOJIVORAOX-UHFFFAOYSA-N 449.454 4.700 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c1 34954237 JEGFSXPDQOMZKA-RMKNXTFCSA-N 432.428 4.548 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c1 41291903 DUDQFSHDXVCKOM-XKZIYDEJSA-N 434.419 4.987 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1)c1ccc(C)cc1 59021453 BKQVXWLOPQGJGE-ZMFRSBBQSA-N 448.474 4.699 30 10 IJEE N#Cc1cccc(C(=O)Nc2c(-c3cccc(F)c3)nc3sc(N4CCCCC4)nn23)c1 65321014 PIGVRSVCCZTKAM-UHFFFAOYSA-N 446.511 4.711 30 10 IJEE CCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(C)C2=O)c(OCC)c1 100232566 OTVHFNMNVZWDBK-PGBYLALNSA-N 440.521 4.504 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1 100262817 MELXGFSUMBXVAX-ACNSNUFOSA-N 426.300 4.723 30 10 IJEE COc1cc([C@H]2C/C(=C3\C(=O)C=Cc4c(C)cc(=O)oc43)Nc3ccccc3N2)ccc1O 135982421 BDAIFCHWOYWPAA-XZSXMJNUSA-N 442.471 4.638 30 10 IJEE CCOc1c(Br)cc(/C=N\n2c(S)nnc2C2CCCCC2)cc1OC 169910113 PQVRYYDWWBIEAK-JAIQZWGSSA-N 439.379 4.667 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(C(C)=O)=C1C 169930042 QMCDSKZRYQJAPT-NRFANRHFSA-N 426.513 4.549 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1OC 169941982 XRMLVTBQHQMOFI-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)c1 169962346 QZPWSFPCOARSCS-QHCPKHFHSA-N 440.455 4.670 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1 170019979 HNAIEVYXQGLTQR-NRFANRHFSA-N 434.879 4.917 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc2c(c1)OCO2 170041019 FNSDCXXCCIINAI-NRFANRHFSA-N 449.846 4.557 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@@H]2c2ccccc2)cc1 170051527 ZEHSDKYBTIQYOD-HSZRJFAPSA-N 441.483 4.819 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(C)o2)c1 170103211 IVCIIWAKPKUPCH-NRFANRHFSA-N 427.460 4.864 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170184826 XBFPDCVMXMGQCD-QHCPKHFHSA-N 428.463 4.882 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)cc1C 170185698 OWRVYGGAYWVLFT-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)cc1C 170202399 KSSXSKZXRDNVPD-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)c(OC)c1 170249645 OIGQBVCNNBFUKF-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1cn(C)c2ccccc12 170269163 XNEQBRVZUKLAPA-QHCPKHFHSA-N 448.519 4.574 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccco2)c1 170279287 AVEQDXFCFGDQEK-HSZRJFAPSA-N 446.503 4.917 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)c1 170288936 RNRAAHFNXSEKMB-QFIPXVFZSA-N 433.460 4.864 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170316043 MQZWEGUMPZHPCC-FPOVZHCZSA-N 433.529 4.967 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 170420916 LYCALGIDXMRBFL-QHCPKHFHSA-N 441.483 4.642 30 10 IJEE COC(=O)c1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 254400530 JHYWDBCWXYVEAB-UHFFFAOYSA-N 439.479 4.591 30 10 IJEE COc1ccc(-c2csc(N3N=C(C)C(=NNc4c(C)cc(C)cc4C)C3=O)n2)cc1 254765089 SYOBOESVFKCCSC-UHFFFAOYSA-N 433.537 4.935 30 10 IJEE N#Cc1ccc(C(=O)Nc2c(Br)cc(Br)cc2Br)o1 311826673 OIOWXRVCHGXQCP-UHFFFAOYSA-N 448.896 4.691 30 10 IJEE C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446622430 DIYXBYINKPCPMK-ZLPCBKJTSA-N 435.553 4.656 30 10 IJEE C=C(C)[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(F)c(F)c1 446633196 FVURZSSMZDZIIX-NGICGMGXSA-N 426.467 4.538 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCCCc3nnc4ccccn34)cc2Cl)cc1 489436500 KNEUYNAMTOQXDT-UHFFFAOYSA-N 446.898 4.801 30 10 IJEE CC1(C#N)CCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)CC1 509418569 RKQJKGDJCULHEK-LJQANCHMSA-N 431.305 4.861 30 10 IJEE Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)oc2ccccc12 522491238 PWKQXQJKXGEMMH-UHFFFAOYSA-N 425.444 4.660 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2c(Cl)cccc2Cl)c1 526825726 CELVQLXVAUATIJ-YVNNLAQVSA-N 435.336 4.854 30 10 IJEE C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccc(C#N)cc1 536010632 AWLSHIUOJUUOOT-AUUYWEPGSA-N 445.304 4.771 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Br)c(Cl)c1Cl 544453852 ULUGHZWOJZMNBK-MRXNPFEDSA-N 436.133 4.956 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1 545775820 ADQUHANRBHWSDK-UHFFFAOYSA-N 433.811 4.948 30 10 IJEE CC1(C#N)CCN(c2nnc(Cc3cccc4ccccc34)n2C[C@H]2CCCCO2)CC1 550041266 ACQYQLDZSSYQQU-JOCHJYFZSA-N 429.568 4.721 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 581256388 UBYIYSCYVWPCDF-AUSIDOKSSA-N 434.540 4.504 30 10 IJEE C=CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C)cc1 586199043 IGBPUSAGZGHLGF-UHFFFAOYSA-N 431.513 4.542 30 10 IJEE N#Cc1c(NC(=O)C[S@](=O)Cc2c(Cl)ccc(Cl)c2Cl)sc2c1CCC2 586345080 CVEULTPLBXFAAN-AREMUKBSSA-N 447.796 4.956 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNc2ccc(C)cn2)cc1OC 727262916 DDORTUJQPJFRFN-UHFFFAOYSA-N 427.508 4.765 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1nc(C(F)(F)F)cs1 767378734 QLYCWEOUZIKOQT-UHFFFAOYSA-N 432.353 4.869 30 10 IJEE CCCc1cc[n+](C(/C(O)=C2/N=C(C)C(C(C)=O)=C2C)=C(/S)NC(C)(C)CC)cc1 773942974 ZHZCWVYFZNJPJR-UHFFFAOYSA-O 428.622 4.910 30 10 IJEE CC1(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(Cc3ccccc3)cc2)CC1 789412948 XTHDMCQMKSWGCA-UHFFFAOYSA-O 426.565 4.790 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2csc([C@@H](C)OCC)n2)CCCN1C(=O)OC(C)(C)C 790678136 QGGHJPZZPQZVDN-OPAMFIHVSA-N 437.606 4.545 30 10 IJEE C[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cn(C)c2ccc(F)cc12)c1ccc(Cl)cc1Cl 796891256 FERISLIXBOFDLF-BZNIZROVSA-N 432.282 4.824 30 10 IJEE CC(=NNc1ccc(C#N)cc1C(F)(F)F)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 799491068 AWPNXVDLHMXJDT-UHFFFAOYSA-N 449.376 4.749 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 804453837 KDZFJEYTUKGKEZ-QFIPXVFZSA-N 427.529 4.733 30 10 IJEE C=CCn1c(-c2ccco2)nn(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1=S 808240363 LUEOKNSNLGNQMP-MRXNPFEDSA-N 426.546 4.695 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cccc(C(=O)Nc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1124533337 YCQAAPBUMUBXPA-SANMLTNESA-N 448.519 4.637 30 10 IJEE COc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 1125705037 FIQDCQIROWIBHR-UHFFFAOYSA-N 445.544 4.786 30 10 IJEE COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc(C#N)c2ccccc2n1 1128831941 IFNMJUOZANUASE-MRXNPFEDSA-N 438.325 4.703 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1133841556 ADAIOAQBYUMAJX-UHFFFAOYSA-N 431.330 4.668 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 1137750923 PLJRCRZLTTZPAZ-GDBMZVCRSA-N 436.421 4.934 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 1139186553 ORYOOJFFUOHDPZ-MRXNPFEDSA-N 433.505 4.628 30 10 IJEE C=CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1169292551 MULZWPFEWPJMLJ-NRFANRHFSA-N 428.960 4.558 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)c1ccccc1 1176188634 TZPHKAULHQKTLC-VQTJNVASSA-N 438.572 4.962 30 10 IJEE O[C@@](CNCc1cccc(OC2CC2)c1F)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1179837913 DTKJRVLHTCXATC-SFHVURJKSA-N 437.355 4.925 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@@H]1CCCC(F)(F)C1 1186394790 CTLJIXZDRDGZSB-CYBMUJFWSA-N 440.325 4.732 30 10 IJEE CCOc1ccc(-c2nc(CN3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)co2)cc1 1193988829 HAKQQRUIKKADNZ-HSZRJFAPSA-N 436.943 4.776 30 10 IJEE CN([C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)c(F)c1 1210540704 AEABAANVHTZBOX-OAQYLSRUSA-N 432.879 4.900 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cncc(C)c2)c1 1265648392 WUXOEMKUGYHTAX-UHFFFAOYSA-N 441.940 4.677 30 10 IJEE CCOc1cc(Br)c(CC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1OCC 1276786939 ASXBQKGOZHRABX-OAHLLOKOSA-N 445.357 4.880 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCS1 1286281236 IDRPESVUINWASB-OLZOCXBDSA-N 425.421 4.513 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(Cl)nc1 1286368912 VHMNBBKQDOPOJY-UHFFFAOYSA-N 437.931 4.979 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC=CCC1 1286402444 XJVGTIWWHXFWFD-INIZCTEOSA-N 443.776 4.790 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)CCC 1286453489 UUKHVEXQDUDFPN-WZONZLPQSA-N 432.996 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)CCC 1286515330 HMJLIAWTADNAEI-RPBOFIJWSA-N 449.624 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1sc(C)nc1C 1286570016 KNHNFMVMKKYYQP-UHFFFAOYSA-N 449.422 4.754 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1286597665 ZMUZLRAXSUSJEG-FCHUYYIVSA-N 440.588 4.616 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1286604471 UALYHWRLZCEBJD-RBUKOAKNSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1286644272 PNTAHJFNNFONOF-NHCUHLMSSA-N 425.596 4.999 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)c2c(C)noc2C)CC1 1286649552 POHPNBMZIVTVTF-INIZCTEOSA-N 425.508 4.561 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1286671142 PNYMJNAQSRPUMX-UHFFFAOYSA-N 427.637 4.767 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(C)cc1C 1286729314 SOXFKDYRMWNMGH-NRFANRHFSA-N 439.604 4.832 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccs1)C1CC1 1286733801 IVJHEXRSPFOYEV-QHCPKHFHSA-N 430.618 4.513 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H](CC)N1CCCC1 1286747045 ILUUMXPUJBHSKF-JTHBVZDNSA-N 441.595 4.726 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)c2ccc(F)cc2)C1 1286812843 UHCYMNZVSXJQSK-UWJYYQICSA-N 426.561 4.655 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)C1CCCCC1 1286827082 CIPRDFSYGPDUBR-KRWDZBQOSA-N 428.602 4.998 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1cccs1)N(C)C 1288516844 FKRZGJACKCNLPR-JXFKEZNVSA-N 433.585 4.529 30 10 IJEE Cc1ccccc1CN1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 1290051706 ATGLZLYZKUAQHK-UHFFFAOYSA-N 427.573 4.976 30 10 IJEE C=CCN(Cc1cccs1)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 1290530198 TZOYIAZXUIWMGO-SFHVURJKSA-N 426.485 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCC(F)(F)F 1300280408 CYRGIUCXDLSAJV-INIZCTEOSA-N 432.446 4.918 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)C1CCCCC1 1300282384 HQAXOCPMKRXOEK-RPPIVITFSA-N 440.657 4.921 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1300363429 YSGMJIMIZXQOSL-FPOVZHCZSA-N 443.636 4.869 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1300371905 ZPUKFGAWWITVHE-JOCHJYFZSA-N 447.652 4.812 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCC(C)CC1 1300601947 MPXLQVBTBARPNO-HSZRJFAPSA-N 437.632 4.616 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1300602131 OCMCJCKGXHNOPB-VAPDBKPJSA-N 436.600 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCc1nccs1 1300817696 XJUBIDKMLVFBKZ-HSZRJFAPSA-N 437.638 4.960 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1300898619 YUIGZBKSXOBKAF-ROKPMTFOSA-N 442.579 4.850 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(CCOC)Cc1ccc(C)o1 1300946078 FQQXLEPPRRYLLO-UHFFFAOYSA-N 433.512 4.731 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1301067376 ZERFIIHUBIWONP-NRFANRHFSA-N 439.604 4.843 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1301119316 DSGPTQFHNQSOCM-RUZDIDTESA-N 442.604 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)[C@H](OC)C1 1301143032 BKRAAZQSVSMBBW-HDICACEKSA-N 439.387 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1301145611 BIJIZEVEGUDYJC-JOCHJYFZSA-N 437.563 4.965 30 10 IJEE C=CCCCCn1c(N2CCCN(c3cc(OC)cc(OC)c3)CC2)nnc1C(C)(C)C 1301199084 WSRZNWSSRDRMPC-UHFFFAOYSA-N 441.620 4.666 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H](SC)C(C)(C)C 1301342381 WCWXABBXXPVEDN-RTWAWAEBSA-N 439.629 4.972 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCCCO1 1301406849 WMYMHLLQFXRTPB-JOCHJYFZSA-N 431.540 4.604 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCOC)CCCCC2)C1 1301545023 CWBXVKVMQBWAHF-QHCPKHFHSA-N 449.599 4.585 30 10 IJEE CC1CCN(CCn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@H](C)CC#N)CC1 1305105806 FHTBFMLNLLPRBN-LJQANCHMSA-N 440.661 4.746 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)[C@H](CC)C2)cc1 1310129708 CADCWSAVIHUHAA-AUSIDOKSSA-N 441.597 4.541 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4c(F)cccc4F)CC3)cc2)cc1 1310212458 GWQCCRPQPFKCPO-UHFFFAOYSA-N 434.446 4.983 30 10 IJEE CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1310603990 FOYRYJJVLMGACN-RTBURBONSA-N 434.540 4.899 30 10 IJEE C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1312306839 APVZYTCCTMCOHD-QZTJIDSGSA-N 444.501 4.596 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)C1(C)C 1314248678 GUPAUXDOILBXCB-YADHBBJMSA-N 437.588 4.559 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cccc(Oc4ccccc4)c3)CC2=O)cc1Cl 1350420670 BYVUHECRRRBHKL-LJQANCHMSA-N 445.906 4.673 30 10 IJEE C=CCc1cc(C(=O)NCCCc2ccc(Br)cc2F)cc(OC)c1OC 1353319172 GYXYUSFUGSQRJG-UHFFFAOYSA-N 436.321 4.697 30 10 IJEE Cc1ccc(NC(=O)C2(CNC(=O)c3cc(-c4cccc(C#N)c4)no3)CCCC2)cc1C 1354703647 FNNHZUDUTWLRRG-UHFFFAOYSA-N 442.519 4.759 30 10 IJEE C=CCN(C(=O)Cc1csc(C2CC2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1355120539 VSYWTIUQOVSFKS-UHFFFAOYSA-N 426.523 4.814 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1358905902 PANNAEZSVLCNFA-OXQOHEQNSA-N 443.389 4.515 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@H]1CC 1358918163 MNTCUOKISHTQDW-AQNXPRMDSA-N 429.609 4.778 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCC[C@H](COC)C1 1358934274 VQYCCIPBBVTPSS-QFIPXVFZSA-N 438.616 4.955 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)Cc1cccs1 1358976407 CWSPMPROKHULDS-LJQANCHMSA-N 441.560 4.613 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@H]1C(C)C 1359004319 RNQYLTXRIMYLRB-UWJYYQICSA-N 430.980 4.518 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359120269 TZZMMQUGZIOOEF-TZMCWYRMSA-N 429.284 4.918 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccc(OC)nc2)CC1 1359168341 PZNOLTULLCNYCA-UHFFFAOYSA-N 447.583 4.897 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1359176889 RNVVBRQVHFCXGX-UHFFFAOYSA-N 445.489 4.827 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359197485 QIOGESNCYCYXKS-UZLBHIALSA-N 442.435 4.573 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCc2cccc(Br)c2C1 1359206879 SARARBXPOYRJDQ-LJQANCHMSA-N 431.378 4.811 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CCOCC1 1359210614 AJCJNJVFARBMRR-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1359210714 FANFQKMVZPKIPI-HXUWFJFHSA-N 431.544 4.673 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1359234608 UUXOXWLQIBXXNW-QZTJIDSGSA-N 446.437 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@@H]1CC(F)(F)CO1 1359264604 JRACAQNZJFCSBJ-IBGZPJMESA-N 444.551 4.742 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(OC(C)C)CC2)cc1 1359307199 DLCGECHZBXSWKB-UHFFFAOYSA-N 447.583 4.655 30 10 IJEE C=CCC1(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CCOCC1 1437477588 GVGLHOXLXMJDTO-UHFFFAOYSA-N 443.341 4.557 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)CC2)cc1 1439706365 DQXHBKWWJSHXBE-UHFFFAOYSA-N 426.398 4.647 30 10 IJEE C#Cc1cccc(N(C)C(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1443404247 BXVNRFRJDAVAGC-UHFFFAOYSA-N 446.572 4.533 30 10 IJEE Cc1ccc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)c(-n2cc(Cl)cn2)n1 1458320559 GGMJHXJJBVGEKT-UHFFFAOYSA-N 431.931 4.639 30 10 IJEE C=CCn1c(SCc2cc(OC)cc(C)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458735522 RHQWMJCMZWDTIA-CYBMUJFWSA-N 427.595 4.773 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1458998305 KPAZLFVGNKJFQL-UWJYYQICSA-N 449.469 4.662 30 10 IJEE C=CCCCCCCCNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 1463820410 PDGXEUYSWMEKJR-UHFFFAOYSA-N 434.787 4.555 30 10 IJEE CN(CCc1ccccc1)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1464760024 DNTXLOARBFDUPZ-UHFFFAOYSA-N 433.939 4.904 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1)C(C)(C)C 1465385987 LENHUPOOZNVEKW-QHCPKHFHSA-N 439.003 4.832 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCCCc2cc(Br)ccc21 1468848954 SGHCKDCEALARNI-FQEVSTJZSA-N 427.342 4.728 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC)c1ccc(Cl)cc1 1470662958 MDFWUVSINDZJPN-DKLXNKCPSA-N 439.003 4.660 30 10 IJEE C=CC(C)(C)CCCNC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1471245746 LXUZKKUJLJUWJS-QGZVFWFLSA-N 426.401 4.747 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 1472175133 KJLHQQQFGQFYEE-WOJBJXKFSA-N 446.588 4.744 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC(C)(C)C1 1494476822 DSHLCGKHEXQGEQ-MRXNPFEDSA-N 429.515 4.646 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)cn1 1501252609 ALOLOTVVPRYOMG-LJQANCHMSA-N 444.583 4.921 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nc(C)c(C)s1 1507523738 RBCJDVULEHJDJK-CQSZACIVSA-N 425.627 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CC2(CCOCC2)C1 1507530641 VUZAGFUAFQVIFY-OAHLLOKOSA-N 433.383 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1507796835 QUEYRDDENSHSKC-CTNGQTDRSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)CC1CC1 1507800267 ZNELTORIAVHLMW-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cccs1 1507805382 PIOWYXUHBRHQOU-AOMKIAJQSA-N 444.551 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1507821497 DNTFFOONKVKUIG-BVAGGSTKSA-N 438.616 4.584 30 10 IJEE C=C(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C1)c1ccccc1 1507850123 CNGMCEBYGQCNBQ-NQIIRXRSSA-N 437.588 4.910 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC[C@@H](C)C2)CC1 1507897524 JYFXHQOKMTVKNF-MJGOQNOKSA-N 440.588 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCc1ccccn1 1507910849 DDAABBUZHNKWJE-UHFFFAOYSA-N 447.583 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1507911299 KFKSBIIBGRIZSV-RHGYRFJNSA-N 445.007 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1507911831 PJOSXVOWMABIIJ-NRFANRHFSA-N 440.510 4.979 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1507944056 LZPDLSSQFOBVLV-APWZRJJASA-N 433.394 4.843 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1507947118 VPUDUUDOPZOCNE-IBGZPJMESA-N 439.995 4.690 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1507947746 JTFOZJBVDBTLBD-CTNGQTDRSA-N 426.561 4.845 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CCOC)CCCC1 1507986637 RUOXBBJYEZMASW-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(=O)CC(C)C)c1)C1CC1 1507994672 WVYBLGMLGDBZHS-JOCHJYFZSA-N 437.588 4.707 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N)OC 1512747215 BVRWAAGLFAPJCA-DWRORGKVSA-N 429.634 4.931 30 10 IJEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(C)C)CC2)ccc1OC(C)C 1517961768 AFUDKRHBDHCILQ-DEOSSOPVSA-N 441.551 4.619 30 10 IJEE CC(C)N1C(=O)C[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 1524075282 DYRNDFQXBXXCBI-KKSFZXQISA-N 448.325 4.619 30 10 IJEE N#Cc1ccc2c(c1)N(C(=O)c1ccc(-c3cccc(OC(F)(F)F)c3)s1)CC(=O)N2 1528041832 DKIPYWWWBWNOBS-UHFFFAOYSA-N 443.406 4.784 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 1529003276 BURYYHMJHKKCGR-UHFFFAOYSA-N 437.540 4.560 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1c(C2CCCCC2)nc2ccccc21 1530272720 CGWACVFVEFCDTN-UHFFFAOYSA-N 443.595 4.546 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1531923106 KVRPNTAOIJLDKS-WSWWRLHASA-N 430.589 4.736 30 10 IJEE C#CCC(C)(C)C(=O)Nc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)cc(Cl)c1Cl 1533937997 CFIDUPVKMRGTGQ-MRXNPFEDSA-N 440.415 4.688 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)c(F)c1 1538982025 AVTYEQQKJYMDJX-JKSUJKDBSA-N 438.572 4.785 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1C1CCC1 1539504875 BXLZHJMSDYVAMD-LJQANCHMSA-N 445.430 4.843 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1C 1539599758 DEWWUSHPINNFGZ-KRWDZBQOSA-N 426.362 4.678 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539691391 YBOIIAAUBPJJTN-SFHVURJKSA-N 443.617 4.567 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCC(C)CC2)CC1 1539717691 RWFVPPWLRMXJEO-UHFFFAOYSA-N 437.632 4.696 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(OC(F)F)c1 1539824324 QSIBWTQGGKQYHN-CQSZACIVSA-N 442.804 4.819 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1539840658 ZLTXXCIDUOSZKA-REWPJTCUSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)CCC)CC1 1539855662 BJVAIXZHIPSDFV-VWLOTQADSA-N 426.605 4.862 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ncc(CC)s2)CC1 1539897487 FNMUZFOBDGYGFL-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCCCCC2)C1 1539990907 TZGQVWMCZKNAKW-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1540128037 ZSOBUQJYNNMCMI-VXKWHMMOSA-N 432.616 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1540153938 NYHIIGUGLOOBBM-UYAOXDASSA-N 443.389 4.867 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)CN(C(=O)OC(C)(C)C)C1 1540444623 WELXUQHHWCZDLW-UHFFFAOYSA-N 432.524 4.777 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@@H]2CCCCO2)C1 1540896825 UPNWJCVQLKEBKR-SFTDATJTSA-N 442.629 4.619 30 10 IJEE CC(C)OCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1543866780 GSSUDGRKSFRMPQ-UZUQRXQVSA-N 427.618 4.686 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)C[C@H](C)S(=O)(=O)c3ccc(F)cc3)c2C#N)CC[C@H]1C 1544832168 BFPRFXHHWSODET-RDBSUJKOSA-N 434.558 4.636 30 10 IJEE CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)N1CCCC1 1545996710 CDOYTYDAAQJKFK-QFIPXVFZSA-N 441.023 4.527 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 1556214527 QZBPNRDXJINWEG-QFIPXVFZSA-N 428.941 4.805 30 10 IJEE C#C[C@@H](CC)NC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1556484610 CIEAYGVEXFUXOH-RTWAWAEBSA-N 444.575 4.956 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CNC(C)(C)c2ccccc2Br)c1C 1559681367 GMXQXMKSVSWYQD-UHFFFAOYSA-N 428.374 4.838 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1561401927 FFRGLHDMBMQHPI-NRFANRHFSA-N 449.498 4.936 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c1 1562324819 GDRZVDHDVOJQNM-MRXNPFEDSA-N 439.503 4.655 30 10 IJEE CN(C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H](CO)c1cccc(Br)c1 1562850957 HORVRLTZHSIFRA-INIZCTEOSA-N 436.375 4.877 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)OC(C)(C)C)cc2n1 1563301868 NTGQJPLGTUOXKJ-FGZHOGPDSA-N 447.539 4.535 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 1564913010 FJGHDOJZKNSNJI-BHDDXSALSA-N 431.502 4.536 30 10 IJEE Cc1csc(Oc2ccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cc2F)n1 1568159283 DWCYHAJRRXUKKJ-OAHLLOKOSA-N 440.475 4.859 30 10 IJEE C=C[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 1585672303 AKGDKNNLCBXZAO-YWXUCKCNSA-N 444.531 4.670 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccn(C)c1 1587635260 FJXHEDXFFRBQBH-VWLOTQADSA-N 443.547 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCO[C@@H]1C(C)C 1587932707 ZKSZYNWWODWMQH-NPPFBWRTSA-N 426.630 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CSCCS1 1588292770 BFCPLCKIPKGWRG-NRFANRHFSA-N 444.670 4.678 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@@H](C(C)C)C1 1589009148 ZLIGCEAAUMMQMR-HXUWFJFHSA-N 426.611 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCOC)CC(C)C 1589505787 OKRMOXNZOCWXOE-FPOVZHCZSA-N 432.996 4.689 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)c(OC)c2)CC1 1594063857 FFCFHPAIWSPPOR-UHFFFAOYSA-N 430.339 4.860 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1594097592 VRANCEQCGNQFFR-UHFFFAOYSA-N 435.616 4.698 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CC1 1594498050 PMJSURIEYQHHSJ-SFHVURJKSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1594566664 JKOCKLBQSIXIGS-QUCCMNQESA-N 427.980 4.597 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1594692670 CCUPXKWRXPCKDP-HOTGVXAUSA-N 431.378 4.917 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1Cc1ccnc(C(F)(F)F)c1 1595127153 GSJMVVPEXQFHFB-UHFFFAOYSA-N 431.437 4.949 30 10 IJEE C=CCn1c(N(C)[C@H](C)c2cc(F)ccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453263 QOPLMABDANPMOK-INMHGKMJSA-N 447.530 4.710 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@H](SC)C1 1595890524 XNJIXCQUDYCIBI-INIZCTEOSA-N 438.613 4.788 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccccc1OC 1595890597 ZQEKOEKZCFDHHB-OAQYLSRUSA-N 435.597 4.533 30 10 IJEE C=CCN(C(=O)CN1CCO[C@H](C)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1616475930 JQIVJVFNTSXKLZ-UONOGXRCSA-N 440.396 4.745 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C 1618150412 FCBXBCSWACAWEB-KRWDZBQOSA-N 448.518 4.570 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(Cl)c1 1618186461 PKHCDSUSAMRKCJ-UHFFFAOYSA-N 445.935 4.695 30 10 IJEE CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)N(C)C)cc1 1623680022 ARHOMWFHOPYDRU-QHCPKHFHSA-N 448.546 4.506 30 10 IJEE CC(C)(C#N)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1624962449 DHRRBPUCUCKSGV-JOCHJYFZSA-N 433.552 4.606 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1626127193 BGEZYOZKTGZJFB-NJAFHUGGSA-N 426.479 4.650 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(Cl)no1)c1ccc2c(c1)OCCO2 1627421761 ZRZYDYWFKBMJAO-UHFFFAOYSA-N 426.856 4.511 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)c1 1627593482 CDNGVPBPJGFNPA-XFFZJAGNSA-N 437.543 4.608 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)cc(OC)c1OC 1630469520 ZQBSAOUULRMYFL-SANMLTNESA-N 434.536 4.582 30 10 IJEE C=CCC[C@H](CO)NC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1632027863 INVXSQJGMJINEQ-XJKSGUPXSA-N 438.391 4.568 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(C)cc1Br 1633682444 QVUZMYSWWKINMY-CQSZACIVSA-N 429.742 4.656 30 10 IJEE C#CC1(NC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)CCCC1 1638655641 TXNGHMHDFWWNSF-UHFFFAOYSA-N 444.432 4.904 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2c(C)nc3ccccc32)CC1 1640002179 JBYGVXRDBQDRBT-NRFANRHFSA-N 440.588 4.758 30 10 IJEE CCn1ccnc1[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1653441548 DBMJPTJCSCHBBU-VQIMIIECSA-N 425.602 4.517 30 10 IJEE C#CCN(Cc1cccc(C(=O)OC)c1Cl)[C@H]1CCOc2ccc(Br)cc21 1657339271 IBGTZBBLWFYGQM-SFHVURJKSA-N 448.744 4.848 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1[C@@H](C)C(=O)N(CCC#N)c1ccccc1 1657605795 FKNGAWLRFRQCMC-FPOVZHCZSA-N 442.007 4.973 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 1661952227 VDMDGLLSAPVHTR-UHFFFAOYSA-N 444.871 4.764 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)cc1 1666221818 ZJUBEBXYJSWOID-FQEVSTJZSA-N 436.618 4.605 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC(O)(c2cccc(Br)c2)C1 1669073781 GSFQBMDFHDVKKT-AWEZNQCLSA-N 446.370 4.579 30 10 IJEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 1669414608 JFUUSYFOIRVBHP-INIZCTEOSA-N 444.354 4.622 30 10 IJEE C[C@H](C#N)CNC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1671539565 GLPJCTBSTSJNFL-ACJLOTCBSA-N 437.396 4.613 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(CCc1ccc(OC)cc1)Cc1ccccc1 1678937563 MMUJHDGYVFWZME-UHFFFAOYSA-N 428.532 4.662 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 1678975050 CDAYDMDAXPUMML-SFHVURJKSA-N 449.338 4.502 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cn2)c1 1679281543 HZJYTDWNLWCFQA-PXNSSMCTSA-N 443.345 4.572 30 10 IJEE C#CC[C@@H](NC(=O)Nc1nc2c(OC)cc(Br)cc2s1)c1ccccc1 1681116785 HWNFBNHQCNBAKD-CQSZACIVSA-N 430.327 4.954 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(F)cc1 1681648512 KUNZQEIYLHYMON-GMAHTHKFSA-N 430.458 4.730 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](C)Cc1ccc(OCC)cc1)c1ccc(Br)cc1 1683158426 JNBSIANJBSFVCY-KKSFZXQISA-N 429.358 4.700 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CC)c1ncc(-c2ccccc2)[nH]1)c1ccc(Br)cc1 1683507459 DKUBNFBPHWXYIX-OALUTQOASA-N 437.341 4.964 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1683815226 UJBAEERKROXQPG-CIAFKFPVSA-N 427.589 4.824 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CCCC1(C)C 1684042592 GNZGXCKHOALUOV-VQTJNVASSA-N 449.636 4.569 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC1(c2cc(Br)ccc2OC)CC1 1686762551 VWLQQFWOSJRAKS-GOSISDBHSA-N 429.358 4.933 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1CCN(CCC(C)C)CC1 1689830719 CBGVHKYZASRUKK-QHCPKHFHSA-N 447.671 4.964 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1689910500 HXFSHRFFIYXRQM-SFTDATJTSA-N 439.629 4.671 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](OCC2CC2)C1 1689913452 OKSKMLNNFHWEAK-FYYLOGMGSA-N 436.600 4.844 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCc1cccs1 1689914861 HFEGWVPCYSWFNB-UHFFFAOYSA-N 429.387 4.861 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC2(CCOCC2)C1 1689917616 AHSCPHYLTYPBPF-UHFFFAOYSA-N 443.389 4.518 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1689938573 PNOGLUQZIIQFIK-IFMALSPDSA-N 426.630 4.998 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CC(C)(C)C1 1690095291 MFBHVKWZBBPBRF-UHFFFAOYSA-N 445.611 4.875 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(CC)Cc1ccc(OC)cc1 1690230569 JQRUTRVYBGFCJF-UHFFFAOYSA-N 447.402 4.874 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@](C)(CC)C1 1690241557 UFPNAFNLHAEMJJ-NIJIEXERSA-N 448.970 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1690244359 WOVXOTWUTBTGMM-JKSBSHDWSA-N 439.510 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC(F)(F)CO1 1690256643 QWKIZAALPWQADG-YJBOKZPZSA-N 440.922 4.898 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1690279388 FJQWHKYJGJAKRP-MJGOQNOKSA-N 429.996 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCCN(C2CCCC2)CC1 1690435537 AIADPCHCOABYEI-UHFFFAOYSA-N 427.662 4.987 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)CC1 1690497736 VZTUSYVOWADIQL-LJQANCHMSA-N 434.531 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H](C)C1 1690575856 DDBTUIZCJXNFET-FQEVSTJZSA-N 446.624 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCC[C@H](C)C1 1690578260 SRNMHSUCYYIVDC-PCCBWWKXSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C(C)C 1690581097 KSNMGHKEKLWTHN-SQJMNOBHSA-N 431.669 4.742 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(Cl)s2)C1 1690711486 BGXLNFFXGBWZCE-HNNXBMFYSA-N 448.951 4.541 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2CCCCC2(F)F)cc1 1698487175 CJEQOYHXYBZTGO-NRFANRHFSA-N 443.542 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1705498527 ANJQQILRZJEOSO-XUZZJYLKSA-N 447.652 4.691 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(OC2CCCC2)CC1 1705520584 ZNGFTWDXDPXVKG-UHFFFAOYSA-N 436.600 4.897 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](SC)C(C)(C)C)CC1 1705778585 BYAMZXJUAQVLEX-OAQYLSRUSA-N 442.629 4.896 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC(C)CC1 1705840734 AELMHLXPHYNKHW-UHFFFAOYSA-N 434.588 4.734 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1705861726 NCDUVQNJKQBADN-PZJWPPBQSA-N 439.604 4.679 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@H](C)C1 1705862735 URBSZQVZGXCAKT-DFIYOIEZSA-N 442.579 4.698 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1705882072 KEOKYKBWOIGQOE-OALUTQOASA-N 433.478 4.749 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C2CCCC2)CC1 1705886691 DBZORAYDERSFLY-GOSISDBHSA-N 429.996 4.712 30 10 IJEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1705943088 NOKLTGIFCKBPEJ-UHFFFAOYSA-N 434.613 4.521 30 10 IJEE Cc1cccc(CCCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@@H](C)C#N)n1 1707608263 BMTBGTRIZDBGOH-SFHVURJKSA-N 441.539 4.532 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1722313229 RLIKMJUCLDNULN-UHFFFAOYSA-N 447.627 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(CC)s1 1722407225 HJYPPTWTEVNIEU-UHFFFAOYSA-N 447.377 4.978 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1(F)CCC1 1722421410 QDJQCDJAWQLLLR-UHFFFAOYSA-N 430.593 4.644 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1722458694 QHWNAWKLQMPSGM-JOCHJYFZSA-N 442.604 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1F 1722504914 PQQAUGGKUOZCSQ-QPPBQGQZSA-N 426.580 4.810 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1722520207 YEGCDVHTBVXUAB-HMXCVIKNSA-N 439.604 4.746 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 1722527291 FQDABLVPOFGUJZ-UHFFFAOYSA-N 437.588 4.868 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCCS2)CC1 1722562338 VZKVOESYADYLJK-IBGZPJMESA-N 428.602 4.795 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1722622319 MHAKXHZRSGMEQS-DLBZAZTESA-N 433.394 4.783 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@@H]1C(C)C)C1CC1 1722648904 YNDOGOMVPKTWTI-OXJNMPFZSA-N 445.405 4.924 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C 1722661207 WUOLJESURPBTDB-KRWDZBQOSA-N 433.622 4.959 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCCC1(F)F 1722678800 YRHHPQVCYWVFAI-IBGZPJMESA-N 441.526 4.958 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C)C1CCCCC1 1722868142 CUAKPETZGLHQGX-FQEVSTJZSA-N 447.631 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCSc1nccs1 1740536520 INWCGOLAXLUTMW-AWEZNQCLSA-N 449.552 4.643 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS[C@H](C(C)C)C1 1740565859 JTYYABOHCYTAET-QFIPXVFZSA-N 434.613 4.717 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CCC(F)(F)CC1 1740604511 BJUQTGRTGYLJJB-UHFFFAOYSA-N 441.295 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1740776878 FETXIJHNYQCMID-SFHLNBCPSA-N 429.634 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1740846960 RWQWMKYHKSEMJP-UYAOXDASSA-N 439.604 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1740851574 ZPATXLRRYVQIGI-LJQANCHMSA-N 439.995 4.595 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740865480 ODMYSARATIACMW-OYRHEFFESA-N 443.636 4.670 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C 1740887763 CLWSBYKBZVXYLX-INIZCTEOSA-N 439.050 4.758 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCc1csc(C(C)(C)C)n1 1740903329 UILXEZXTMJANAK-UHFFFAOYSA-N 439.629 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](F)COC 1740922757 RQERBPTYKAPSGY-OAHLLOKOSA-N 438.931 4.976 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@@H](OC)C(F)(F)F 1740928587 NMFJDZWJUZBKJS-LJQANCHMSA-N 431.462 4.639 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)CN2CCCC2)C1 1740978110 OMHFCLUZLALWKO-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCc2ccccc2OC(F)F)C1 1741982996 DEJFKFFPWDIJSK-HSZRJFAPSA-N 429.515 4.910 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCSC1 1748654812 LHUYQLOQJUZLCR-HZPDHXFCSA-N 433.419 4.617 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1748702521 KNTXMWNXDCQATO-QFIPXVFZSA-N 449.643 4.789 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1748725062 QZPMRQWEHFBWGZ-LJQANCHMSA-N 434.506 4.654 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCC1(F)F 1748834347 JWOHFLBHHFUVJR-INIZCTEOSA-N 432.902 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC[C@@H](C)N1CCCCC1 1748902792 UEYFZOIFQSYXJW-HSZRJFAPSA-N 449.668 4.606 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(CC)C1CCCC1 1749139648 HYSZCENQKJHCHT-FDDCHVKYSA-N 428.552 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CC(F)(F)Br 1749165593 KAVRWNXDAXVGDP-UHFFFAOYSA-N 443.336 4.864 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccccc1Br 1749209206 QVKWMPYAOXLKJR-HNNXBMFYSA-N 435.276 4.804 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 1749391400 NXNYDMLMSNAFRE-OAHLLOKOSA-N 444.004 4.871 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1749515227 SLIUGACDSODAQD-HZPDHXFCSA-N 431.378 4.678 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CCCC1 1749740195 ATEJODQOGMDVRH-UHFFFAOYSA-N 427.618 4.693 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1CC 1760245238 WSWMJJWSNWQNLJ-HKUYNNGSSA-N 445.405 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN(CC)CC 1760288844 BIVLQVPNESXPPF-KBMIEXCESA-N 439.673 4.855 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1760327107 BZPLXTOBNHQATO-PWIZWCRZSA-N 434.943 4.540 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1760414151 GUHJTOLUJSVRKR-NRFANRHFSA-N 431.584 4.869 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760429916 UHYLHBFSIQIPQW-QFIPXVFZSA-N 438.616 4.962 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 1760434085 YRBIBBUDNPILNA-FQEVSTJZSA-N 435.538 4.861 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760435725 SJGJCCXVJLUVHK-UHFFFAOYSA-N 431.968 4.622 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCC1CCN(CC(F)(F)F)CC1 1760458727 ROCJGTHXJBVDSY-UHFFFAOYSA-N 435.538 4.794 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)C2CCCCC2)C1 1760538149 WKNCSOQJYUIUPG-XUZZJYLKSA-N 445.007 4.711 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)on1 1762176648 DGGOSLDBFNHJAL-OAQYLSRUSA-N 448.571 4.762 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2ncc(CC)s2)cc1 1764472329 GJHTYXQZOQISHX-XMMPIXPASA-N 434.613 4.899 30 10 IJEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)CCS1 1765306643 CBXJPOJCHFCUSG-NRFANRHFSA-N 439.629 4.887 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H]2C)CCC(C)CC1 1769782019 GGBADPFIUCZKKL-PRFRBYCISA-N 437.588 4.559 30 10 IJEE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=N)N)CC(C)(C)C2 1772729557 UKWKCNNZMZFMRQ-UHFFFAOYSA-N 445.523 4.792 30 10 IJEE COc1ccc(-n2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccc([N+](=O)[O-])c2)cc1 1859412365 YKIVJTMRVFCHNM-UHFFFAOYSA-N 439.431 4.580 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)ccc1OCc1ccccc1 1860728769 VGBNFYVZXRUMNQ-XYOKQWHBSA-N 446.459 4.712 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccc(Cl)cc1 1861929820 HYOKBAQKMIWJKA-OAQYLSRUSA-N 428.985 4.572 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc2cc[nH]c2c1 1862463570 ISXZDHGRTJFBAN-PRWKNARSSA-N 428.410 4.962 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2Cl)cc1 1862535184 BKMCJPNHBFGKBZ-NRFANRHFSA-N 427.928 4.906 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc([N+](=O)[O-])c1 1862547158 NXYYVTLSLXHYAD-IVZQSRNASA-N 434.492 4.850 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862582810 MWJGMTAUJJKTTI-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862595393 AXLIUDJBZRJCBD-XMMPIXPASA-N 443.499 4.878 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(F)c1 1862617802 YQDARGBARLZGLD-QFIPXVFZSA-N 438.543 4.653 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)cc1O 1862654324 ZCWJHUVBOJPHBB-HSZRJFAPSA-N 431.488 4.788 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(OC)c(O)c1 1862704622 DYBUSEJWGDOGNQ-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)cc3C)C2=O)cc1 1862832710 CCOPTLYAMLWSOB-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036894 KUOKNZDVPOMOPG-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN1C(=O)C(NCc2cccc(C)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706722 ITWYTTIZQZBNEN-UHFFFAOYSA-N 438.527 4.630 30 10 IJEE C=CCNC(=O)[C@H](CC(C)C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865899741 UXOQKWYLGSPWOP-QMMMGPOBSA-N 438.138 4.613 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1867119057 XFZZTIGTYWUFBM-VWLOTQADSA-N 443.522 4.695 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](c1ccc(C)cc1)C(C)C 1868844303 VIARYMNRWPWUPP-LOSJGSFVSA-N 436.571 4.802 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)n(-c2ccccc2)n1 1870001639 NCLFBODBFNDYGB-FQEVSTJZSA-N 445.567 4.975 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CC 1872112573 OAVAHFDVNOPPKM-MRXNPFEDSA-N 440.915 4.550 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1873792317 BTRKCZVUUJBIGB-BRJLIKDPSA-N 439.302 4.677 30 10 IJEE N#Cc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 1873868447 DDUSFCRCHOMVKS-QHCPKHFHSA-N 425.488 4.842 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C#N)ccc3C2=O)c2ccccc21 1873868922 XCDRMQAMVXJPQJ-ROTLSHHCSA-N 449.466 4.684 30 10 IJEE Cc1c(CCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873945103 HHRXXWNHKJGOEU-UHFFFAOYSA-N 439.302 4.839 30 10 IJEE Cc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCCO)cc1 1874234046 OPGVSVFZRKRYQL-NLRVBDNBSA-N 430.577 4.882 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1cccc2ccccc12 1874411662 GKIWZTCRQLKXEH-MFKUBSTISA-N 449.605 4.584 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)c1OC 1874443215 VYSKRXNCEGNIKG-LSCMLXDISA-N 438.553 4.630 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1cc(Cl)ccc1O)Nc1ccccc1 1874493618 WCVKFFLOLAFTJA-FSJBWODESA-N 441.944 4.518 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccccc2)cc(Br)cc1OC 1874578393 LVRZVYMULLXORF-MDZDMXLPSA-N 433.298 4.686 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)OCC(C)C)c2)cc1Cl 1874600091 SFSKKSBTQJCKFF-VMPITWQZSA-N 432.900 4.831 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)NCCC 1874619990 CXESWDDLBBXZCF-DHZHZOJOSA-N 425.500 4.672 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c(OC)c1OC 1874639663 JYQZNTNLCDIIFG-RVDMUPIBSA-N 447.487 4.626 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)COCCOC 1875140195 UZJAIOSZFVEYPB-ZHACJKMWSA-N 438.520 4.505 30 10 IJEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1 1875170865 TYLHWHDLKPBGRZ-GQCTYLIASA-N 432.432 4.731 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccc(Oc4ccc(F)cc4)cc3)C2)c1 1891514622 WNBZRLVAUHYCND-LJQANCHMSA-N 431.467 4.816 30 10 IJEE FC(F)(F)[C@@H]1CCSC(=NCc2scc(Br)c2Br)N1 1918517169 GORPYTIYPXYYMR-ZETCQYMHSA-N 438.132 4.787 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1Br 1963806192 PBJCSAQPGXZNIM-OAHLLOKOSA-N 431.758 4.578 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(C)cc1Br 2029266131 BWVQFRGSGYUQCS-HNNXBMFYSA-N 430.412 4.963 30 10 IJEE C=C(COCC)[C@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041899206 GWWNZUZZWKPWJW-OZXSUGGESA-N 446.632 4.791 30 10 IJEE O=C(C1=CCC(F)(F)CC1)c1ccc(I)c(Br)c1 2045225234 NKJLTRDWKRDRHG-UHFFFAOYSA-N 427.026 4.982 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NC 2047967724 LNAAISWZJCRXNO-SJORKVTESA-N 429.786 4.540 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Br)cc1I)c1cccs1 2086148645 DODVQCKXZHXLJM-SNVBAGLBSA-N 432.080 4.605 30 10 IJEE CC(C)(C)OC(=O)NCC1(CNc2ccc(C#N)c(Br)c2F)CCCC1 2106021083 AKPBOPHMGNHGEL-UHFFFAOYSA-N 426.330 4.957 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2124697835 VTWLHLPYVDXJPM-SANMLTNESA-N 449.551 4.649 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)c(Br)c2F)CC2(CCC2)C1 2174813957 BSQQUFINJJTCPA-CQSZACIVSA-N 438.341 4.734 30 10 IJEE C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(C#N)c1 2180916455 MNKGZSLLSQVDJA-UONOGXRCSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC(=O)Nc1ccc(Br)cc1C#N)C1CCC1 2181105068 HFOFWBMCLXPZJL-HNNXBMFYSA-N 436.350 4.590 30 10 IJEE CN[C@@](C#N)(COc1c(Cl)cc(Br)cc1Cl)C1(Br)CC1 2206662738 VNLLLVKZBKVMBS-ZDUSSCGKSA-N 442.966 4.544 30 10 IJEE CC(C)(CC#Cc1sc(Br)c(Br)c1Br)C(=O)O 2216399749 CBRWRCZUQZABHF-UHFFFAOYSA-N 444.970 4.888 30 10 IJEE C=CCN(C[C@@H](NCCC)c1cc(Br)nn1C(C)C)C(=O)OC(C)(C)C 2224279124 XPYMVEGRZMUHMG-OAHLLOKOSA-N 429.403 4.690 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1sccc1CNC(=O)OC(C)(C)C 2227462192 HXURZBRGOIWUAQ-KRWDZBQOSA-N 435.387 4.848 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC 2235750586 WXBLKQVLRQWAND-SXLOBPIMSA-N 435.406 4.814 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2247928924 HWVLAKRBRJBDEQ-QGZVFWFLSA-N 425.403 4.797 30 10 IJEE CC1(C)OB(c2cc(Oc3cc(F)c(Cl)cc3Br)ccc2N)OC1(C)C 2283003550 LBWNQLJXKQDGJU-UHFFFAOYSA-N 442.521 4.915 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(Cc3ccc(Br)cc3C#N)[C@@H]2C1 2290211409 YJTZAHZSCDALAL-DNVCBOLYSA-N 434.378 4.542 30 10 IJEE CCC1([C@@H](C#Cc2cccc(Br)c2)NC)CCN(C(=O)OC(C)(C)C)CC1 2296216602 MEACKBASSDYISS-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2296221628 KGROVGBRMCHALX-UZLBHIALSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2296294781 XRMJOEMZRUMFJM-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296297605 AQRPCLMWYLTDLR-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCOc1cc(C=C2C(=O)ON=C2C)cc(Br)c1OCc1ccc(F)cc1 2297314781 AOTBUDQCHMXPKW-UHFFFAOYSA-N 434.261 4.882 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)cc1 2322268420 DWSJWIDKCNZKGG-UHFFFAOYSA-N 430.285 4.659 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1OCC(=O)NCc1ccccc1 2323157858 ULAJKFNLNKUIBY-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccco1 2323802569 HMRFGBBAPWJSPX-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2323933655 CDUYMIPHHIATPJ-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2OC)o1 2324261377 AABHZSCBTQDINW-UHFFFAOYSA-N 428.387 4.828 30 10 IJEE CCOC(COc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O)OCC 2324741552 VHOZHKVICMLZKV-UHFFFAOYSA-N 433.298 4.843 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc2C1=O 2325513076 AJXXYXLTPIIXBZ-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1OCC 2325642660 GHLVQZWYUNSEJK-UHFFFAOYSA-N 436.552 4.941 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1OC 2325703983 LODVWQFLESIYOP-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4F)c3C)C2=O)cc1 2325739171 MMAHAZFVZHCBSF-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)cc2)cc1C 2330855476 GWNBTTPUYDTJKU-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 2330954864 HTBMWTYNPOOYIU-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE O=C(CCOc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331397526 MPNWNYLRGZDSGS-UHFFFAOYSA-N 430.456 4.728 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccccc1F)c1ccccc1 2331543707 ITBXAQHAXSSWSM-INIZCTEOSA-N 437.544 4.536 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(F)cc1 2331624914 QWWYJWVSLQMOIY-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(F)cc2F)c1C 2331724074 OXRDXDWJQLXLTN-UHFFFAOYSA-N 441.507 4.664 30 10 IJEE CCc1csc(C#C[C@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)n1 2338593720 CYYUDHMBPHBBFB-INIZCTEOSA-N 436.375 4.867 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339577569 UREVINGMPSXDEM-MJGOQNOKSA-N 444.381 4.751 30 10 IJEE CC1(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC(NC(=O)OC(C)(C)C)C1 2339577822 XWFHBGDEUFLNES-UHFFFAOYSA-N 443.397 4.832 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339586380 DZEVRGHINRLKIA-FEFOKTNTSA-N 443.397 4.641 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339606991 YDWZHBLNEVGAFA-GWKQRERASA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342482485 NCQZVBZTIJXZRX-HSZRJFAPSA-N 448.344 4.871 30 10 IJEE COc1ccccc1CN/C(=N\C(=S)Nc1ccc(C)c(C)c1)Nc1nc(C)cc(C)n1 14156156 ONXZCELHZILNSA-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE CCCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCC)cc1)C2 21256196 QRCYNCKSVUQZDA-WIYYLYMNSA-N 449.547 4.887 30 10 IJEE C=CCn1c(=O)c2c(ncn2Cc2ccc(C(C)(C)C)cc2)n(-c2ccccc2Cl)c1=O 34693618 CGRRCZJNQVHZPT-UHFFFAOYSA-N 448.954 4.534 30 10 IJEE C=CCc1ccc(OCCCCn2c(CCNC(=O)C3CC3)nc3ccccc32)c(OC)c1 40198643 NAZCFYYDECXVFW-UHFFFAOYSA-N 447.579 4.701 30 10 IJEE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)nc1 40825352 LQENCBZKWBDADQ-WPWMEQJKSA-N 433.537 4.571 30 10 IJEE COc1cc(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)ccc3C2=O)cc(OC)c1OC 41355314 GBNMOCSVWQZXPM-NHDPSOOVSA-N 446.455 4.856 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)cc1 54559762 ULHUGCMKOHTPGG-QFIPXVFZSA-N 434.492 4.806 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1F 59047833 CYRNLDOYOIXICC-UHFFFAOYSA-N 430.936 4.773 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@H]2c1cccnc1 96319745 YYNSWSDTSIAXTD-FQEVSTJZSA-N 435.528 4.763 30 10 IJEE C=C(Br)CNCc1cc(Br)cc(Br)c1OCC 161369842 HXOFIVWXUBRWRM-UHFFFAOYSA-N 427.962 4.609 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccs2)c1 169982462 PJDGQUBQKYULFI-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccncc1 170026380 XYTWRYDZYYFPAF-QFIPXVFZSA-N 441.512 4.793 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2sccc2C)c1 170107592 YHCLXKQFWWPCPD-HXUWFJFHSA-N 443.565 4.849 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1ccco1 170123290 BFAHDOMYTYBLPB-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1cccc(C)c1 170139359 PNJKUMOJZJALGB-JOCHJYFZSA-N 437.536 4.526 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(C)c2)c1 170141588 WIMFPQOQSRKQKG-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccn2)cc1C(C)C 170171307 WPWSPHRLTAEORL-HSZRJFAPSA-N 444.487 4.702 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1sccc1C 170317603 SWBUYUZUIOMTKR-HXUWFJFHSA-N 441.549 4.985 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1)c1cccs1 170374761 BLCYHOKQWZBHGV-LJQANCHMSA-N 439.876 4.913 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)ccc1O 170464042 ZZDFNZVNZIMQSE-LJQANCHMSA-N 433.863 4.709 30 10 IJEE COC(=O)c1cccc(-n2c(C)cc(C=Nc3ccc(N4CCOCC4)cc3)c2C)c1C 252621189 MUVZFLPTCDVBQZ-UHFFFAOYSA-N 431.536 4.776 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCCC 407488561 FOJCTFJNLSQVMG-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2COCCO2)n1CCc1ccccc1 460408362 BTZRRRLSNZWNFN-IBGZPJMESA-N 444.988 4.516 30 10 IJEE Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](c4n[nH]cc4NC(=O)C4CCCC4)C3)c2c1 480114750 IUBUGIBKXFHVLD-LJQANCHMSA-N 442.567 4.959 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)[C@H](C)C4)[C@H]3C[C@H]12 504285251 NXYQZNKEFFIDPK-LXCYVYGISA-N 438.612 4.520 30 10 IJEE biogenic N#C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1cccc(Cl)c1Cl 505337089 FQLHIXXGGVFUJG-AWEZNQCLSA-N 437.283 4.656 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 508824451 BXHOVLNEMVMFCN-UHFFFAOYSA-N 444.023 4.573 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 586090538 ASVCYWIYVXQNJQ-CVPMZKDPSA-N 449.595 4.907 30 10 IJEE COc1cc([C@@H](C)NC(=O)NCc2ccc(C#N)cc2F)ccc1OCc1ccccc1 609240215 UPVLISDOVNKSFQ-QGZVFWFLSA-N 433.483 4.845 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1 611556284 KOQVHSPWDQCNIC-XMMPIXPASA-N 439.581 4.778 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670211979 ALEUZJRJKYZUEV-LJQANCHMSA-N 440.979 4.838 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)Cc1ccccc1 743302100 AAIPHYYSXBDDIQ-QFIPXVFZSA-N 433.552 4.575 30 10 IJEE N#C[C@@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787064365 NFEPSQQXGIQJPD-XADARROHSA-N 449.463 4.501 30 10 IJEE CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNC(=S)Nc2ccc(F)cc2)cs1 915927493 UUEFDLAZBGNLDH-UHFFFAOYSA-N 447.948 4.941 30 10 IJEE CC/N=C1/S/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C(=O)N1CC 1084418336 WFJNECPZYSYCNF-LSRULMOLSA-N 433.533 4.700 30 10 IJEE COc1cc(NC(=O)c2ccc(Br)cc2C#N)ccc1NC(=O)OC(C)(C)C 1125173063 BOYNUIVUHIBSEC-UHFFFAOYSA-N 446.301 4.929 30 10 IJEE Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)COc1ccc(C#N)c(Br)c1 1126075518 GDWGPDPAGRLDFT-UHFFFAOYSA-N 444.329 4.631 30 10 IJEE C#CCN(C(=O)c1ccc(F)c2cccnc12)[C@H]1CCOc2ccc(Br)cc21 1126150633 CAJSLMHLBUTGSX-IBGZPJMESA-N 439.284 4.736 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C)cc3O[C@H](C)CC(C)C)cc2C1=O 1127220289 KGHYESUYLFZMIS-GOSISDBHSA-N 434.536 4.520 30 10 IJEE C=CCCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1128748067 GECAOINWHOBPBJ-SFHVURJKSA-N 435.406 4.862 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Br)c(C)c1F)c1ccc(Br)cc1 1129731477 USOLQJMLHMYGIF-HNNXBMFYSA-N 425.095 4.763 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C(=O)OCC 1132935032 XHCUBMPJWCAXOR-LJQANCHMSA-N 440.569 4.677 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1OC 1134187187 NTMBDDAQQNBLMM-URKLREJBSA-N 441.499 4.612 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cnn(Cc2ccccc2)c1Br)c1ccccc1 1134659176 SOVMOVNWLIWXEC-HHHXNRCGSA-N 444.354 4.547 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1140295278 FXNDQBATQNOHFN-JOCHJYFZSA-N 432.520 4.531 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1141999909 AHYOUIYSSZKRTF-UHFFFAOYSA-N 442.581 4.878 30 10 IJEE C#CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOc2ccc(Br)cc21 1167420890 LFELNXHUENHPQU-QGZVFWFLSA-N 435.705 4.970 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 1198474223 GLSWOOHMLOUHML-XMMPIXPASA-N 440.503 4.775 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 1198600696 OXYYKIHNCLAFPG-UHFFFAOYSA-N 431.418 4.828 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1 1199058627 GMVOEHZXJGKBNK-UHFFFAOYSA-N 445.563 4.893 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c1 1199786923 KDOMQGOAYYLLRH-KOSHJBKYSA-N 429.561 4.943 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c(OC)c1)c1ccc(Br)cc1 1215526553 QYOVWFIXBKOQMW-OAHLLOKOSA-N 438.119 4.716 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@](CO)(c3ccccc3)C2)cc1 1218059027 AXDLSTUOBVZKRQ-VWLOTQADSA-N 429.545 4.877 30 10 IJEE C#Cc1ccc(NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)c(Cl)c1 1220235259 RUDGZLYHNSBWTK-UHFFFAOYSA-N 429.705 4.591 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)c1ccc(F)c(F)c1 1220879411 AZMYGITYCIGBRM-RHGYRFJNSA-N 443.538 4.691 30 10 IJEE C=CCCC[C@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 1251750560 DVAVHNOTXQGNAR-QFIPXVFZSA-N 429.511 4.698 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 1252449223 OGNPWAXWCZCRTR-XZOQPEGZSA-N 431.923 4.564 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ccccc2)C1 1256697223 OKFHXODVUWTMGC-QFIPXVFZSA-N 448.567 4.571 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC(C)(C)N(C)c2ccc(Br)cc21 1271534271 AOMRVZSPCGIYPI-HNNXBMFYSA-N 426.358 4.761 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1286336587 UYBDZLBQNDTZEO-JOCHJYFZSA-N 440.563 4.623 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1286436888 ZZCVVDJVBWWUHT-FXAWDEMLSA-N 432.515 4.601 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1C1CC1 1286452776 LANKDJJQIKLLEM-HXUWFJFHSA-N 444.048 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCCCOCC 1286515620 KIAKBIHBTOTKGZ-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCCCCC1 1286568829 YOUBGRZUUUPMGY-AUSIDOKSSA-N 428.552 4.748 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286610913 DFSICISHIPTQRO-FQEVSTJZSA-N 441.601 4.723 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCOCC1 1286620005 FPRBSOGTDUNTHQ-MRXNPFEDSA-N 425.360 4.668 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1286641197 UEVXMXLGNKJXON-LJQANCHMSA-N 427.499 4.584 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1286648729 PZMUXCWIKLGRFR-UHFFFAOYSA-N 438.601 4.519 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(N(C)C)CCCC2)CC1 1286650017 UNKGSSOFSULRHM-UHFFFAOYSA-N 429.996 4.541 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2c(C)noc2C)CC1 1286663437 CCIHXNGSQXZGBM-UHFFFAOYSA-N 427.936 4.566 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C 1286672196 JADGCYAXEPSKLQ-PMACEKPBSA-N 437.636 4.679 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1286678765 DJTKLEHXOOCFFV-JYFHCDHNSA-N 426.568 4.754 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1CCCCNC(=O)OC(C)(C)C)C1CC1 1286733278 WVNOCLJYPRSXON-UHFFFAOYSA-N 425.577 4.713 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1Cc1nccs1)C1CC1 1286733881 LEXJABKFILWJLJ-UHFFFAOYSA-N 434.338 4.506 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(C)C)CC1 1286798630 JWADRUVLGQGVHR-UHFFFAOYSA-N 448.615 4.625 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)C2CCCCC2)C1 1286805287 PTFPQBSPOWXMOU-DVECYGJZSA-N 445.007 4.711 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(C)(C)C)C1 1286832466 UDJNSZXHIYUNEH-FXAWDEMLSA-N 428.602 4.582 30 10 IJEE C=CCSCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(CC)cc1 1286836389 MCPZNSFWRXQBDD-SFHVURJKSA-N 430.528 4.947 30 10 IJEE CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OC1CCCC1 1294181247 FKRTXNODAXVPOG-UHFFFAOYSA-N 430.556 4.818 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc2c(nc1O)CC[C@H](CC)C2 1299170424 OBDBXCOGZUEMST-ZDUSSCGKSA-N 431.330 4.882 30 10 IJEE CO[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N(CCC#N)CCC(C)C 1299538012 HMXDUIXZJHWUOB-INIZCTEOSA-N 434.382 4.509 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN(C)C2CCCCC2)CC1 1301091711 MEMYKCCADTVXFY-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1ccsc1 1301217577 AHYBUJHYPVVBOE-UHFFFAOYSA-N 448.596 4.729 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1301226490 FTFXEOOHSSBCNU-OAQYLSRUSA-N 442.677 4.548 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1301341552 SPIVKIJUDSJFGQ-HFZDXXHNSA-N 434.632 4.976 30 10 IJEE C[C@H]1CCCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)C1 1305022263 AQWADOIPOBEDEZ-DLBZAZTESA-N 444.986 4.598 30 10 IJEE CCc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1305970290 DEFMALKEZMZSJS-DRLORSAXSA-N 435.616 4.937 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1310589148 LYPQZHSVJYQUJJ-QGZVFWFLSA-N 430.373 4.956 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1nc2ccccc2s1 1310862784 WEYIEGQASKHNNP-UHFFFAOYSA-N 432.343 4.988 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCCCC1 1310922939 CDFCDWVZBCSEJJ-GFCCVEGCSA-N 429.380 4.972 30 10 IJEE C#CCN(C(=O)NCc1cc(Cl)c(OCC)c(OC)c1)[C@H]1CCCc2ccccc21 1311615611 CLMPKWVOSNEXKX-NRFANRHFSA-N 426.944 4.970 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1311995267 VKZTWLZGHKBNSA-VXKWHMMOSA-N 431.502 4.766 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccc(C(F)(F)F)cc1 1312344446 YXKXBPDFQZVVJF-IEBWSBKVSA-N 425.495 4.659 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(Nc2ccccc2Cl)CC1 1319589904 FRZYHGWGRGHVGS-GOSISDBHSA-N 440.975 4.560 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1351959329 BJNOVRLMBGXTBR-CJFMBICVSA-N 438.572 4.881 30 10 IJEE Cc1cc(C)c(N2C[C@@H](C(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2=O)c(C)c1 1353894378 IFHVSXFBVKGXDE-NRFANRHFSA-N 440.547 4.883 30 10 IJEE CCOC(=O)c1csc(N(C(=O)[C@H](C)Cc2ccc(C#N)cc2)c2ccc(OC)cc2)n1 1354304518 FMUVPYVXUQEBNH-MRXNPFEDSA-N 449.532 4.744 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1 1357826291 REOWMLZONHTTPG-UHFFFAOYSA-N 441.453 4.840 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)Cc1cccs1 1358871055 ZEOKMQNBLNSMRZ-VQIMIIECSA-N 435.597 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cc(C(CC)CC)no1 1358871682 JAUQWPLLOLPTMT-DLBZAZTESA-N 439.535 4.955 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](OC)[C@H](C)CC 1358971512 YMOGUESJXGDDDF-AEFFLSMTSA-N 441.000 4.947 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1359050981 IXDBEQOVAHKFQP-ICSRJNTNSA-N 438.597 4.699 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359051274 RFGHAZCAXPVNMW-YQVWRLOYSA-N 444.670 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1csc(C(C)(C)C)n1 1359072795 QWQPADCNKGVNEU-HSZRJFAPSA-N 439.654 4.919 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1C 1359080005 CJEWGQFXODFZOL-GFCCVEGCSA-N 426.156 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cscc1C 1359108533 RYDYYCKSFMZKOF-UHFFFAOYSA-N 442.585 4.792 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCN(C(C)C)C2)CC1 1359160428 UVPJULPOPHGGDE-RTWAWAEBSA-N 441.595 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@H]1C 1359262329 PKQBQNZKZPLMNT-YYDVJCTNSA-N 430.618 4.621 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@@H]1C 1359264085 UFQPVCMZJVOSMD-IBGZPJMESA-N 439.604 4.746 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)nn(C)c1C 1359267062 UCDHKWZAECTILJ-GOSISDBHSA-N 440.979 4.649 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCC(=O)N(CCC#N)CC(F)(F)F)CC1CCCCC1 1435332192 BFCRIVIONYIFCD-QGZVFWFLSA-N 433.515 4.935 30 10 IJEE Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(Sc2ccccc2)n1 1435598874 CWHDSQKCYOKHMB-UHFFFAOYSA-N 444.560 4.928 30 10 IJEE CC(=O)N[C@H](CC(=O)OCc1cc(F)c(C(F)(F)F)c(F)c1)c1ccc(F)cc1F 1439482332 CQRTWROBRHDJOL-MRXNPFEDSA-N 437.311 4.573 30 10 IJEE Cc1onc(CC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)c1C#N 1455280056 FPPZQTGNJSWRNX-UHFFFAOYSA-N 431.826 4.780 30 10 IJEE Cc1nc(SCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(C#N)c(C)c1C 1458338611 BXWTVUNPHSLMFZ-OAHLLOKOSA-N 449.407 4.673 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1460784640 AYHOXMZEXXMBML-IBGZPJMESA-N 429.879 4.728 30 10 IJEE COc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(F)c1 1463496788 GRBGRGHVHXMXIR-CQSZACIVSA-N 428.460 4.552 30 10 IJEE C=CCN(C(=O)c1cc(C)n(Cc2ccco2)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1466895098 XQKNJGBVALCVLJ-DEOSSOPVSA-N 434.536 4.549 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccccc1 1471201666 XBVYDAZBMPXWPR-JOCHJYFZSA-N 449.551 4.873 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2c(Cl)cccc2Cl)CC1 1473360331 JHJIROUESWRKPX-MRXNPFEDSA-N 438.424 4.780 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](c2ccc(F)c(F)c2)c2nccn2C)cc1OC 1474293263 PGLFLHMYRBLTAK-FQEVSTJZSA-N 433.886 4.804 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1477860457 ZFNLFDPWEXLKSW-MSOLQXFVSA-N 428.813 4.859 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)Sc1ccc(Br)cc1 1478010440 KVJHAMURRFJADY-WMLDXEAASA-N 427.408 4.600 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1)C1CCOCC1 1479009805 TXPVQCJYRQKNNV-NRFANRHFSA-N 430.907 4.807 30 10 IJEE CN(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccc(F)c1 1503379951 FKYOHIXQCUZNQA-DHLKQENFSA-N 438.595 4.583 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC(C)(C)CC=C)c1 1507552129 LJIGHBUIRDFJAC-UHFFFAOYSA-N 433.600 4.669 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC(C)=C(Br)C1 1507794566 HZNHSSVGPWUWLJ-UYAOXDASSA-N 443.389 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C)=C(Br)C1 1507798276 NMSZQIZZPHKZJX-LPHOPBHVSA-N 437.426 4.727 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCC(F)(F)C1 1507808521 QBDQGACFQCQDSE-KRWDZBQOSA-N 432.519 4.543 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1507826129 GQWXGUYDQAUUKB-UKILVPOCSA-N 431.584 4.834 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(F)(F)F 1507837258 LALNKIBCWXOAFO-CQSZACIVSA-N 432.874 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507913361 YCHJYLPGWWRHBI-CALCHBBNSA-N 428.577 4.665 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1507938900 DSDSDMSHRQMVBT-FCHUYYIVSA-N 434.588 4.941 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(Cc1c(F)cccc1F)C1CC1 1508157937 CJQMGVMWDDMTSB-MRXNPFEDSA-N 434.556 4.539 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1509094957 DCOMKLVYDPNSDY-LEWJYISDSA-N 439.629 4.600 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCC2)n1C[C@@H]1CCN(c2ccccc2F)C1 1509301962 FOJQYSIQDMPFQQ-HXUWFJFHSA-N 438.595 4.977 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(c2ccncc2)CC1 1513098226 AIUUXUKVKPDURW-HXUWFJFHSA-N 443.599 4.611 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3c3cccc(C(F)(F)F)c3)CC2=O)cc1 1518466991 CESSGIKDKFGLDW-WIYYLYMNSA-N 441.453 4.684 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn(-c2ccccc2F)c1C 1524982980 BKKYAVQTMIQAEZ-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C 1525730817 KVGIFRJCCJWBEK-DEOSSOPVSA-N 434.625 4.946 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(OCC#N)c1)c1ccccc1C(F)(F)F 1527022458 FRDRHBIMFMJNQT-GOSISDBHSA-N 449.429 4.812 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C 1528415849 MQQYOMFCUGWBNC-UHFFFAOYSA-N 446.267 4.571 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3COC3CCOCC3)cc2)nc1 1535588553 AUSIJTXWRPXBQQ-UHFFFAOYSA-N 429.476 4.693 30 10 IJEE CCN(C(=O)[C@@H](C)Oc1ccc(F)cc1Br)c1ccc(C#N)c(Cl)c1 1535604928 HCADHDSRXGYCOF-LLVKDONJSA-N 425.685 4.934 30 10 IJEE CCN(C(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1536105076 HWVQXERZDFFSDB-UHFFFAOYSA-N 443.340 4.805 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C)C2)ccc1Cl 1537748908 HSIWTYXHNSLREH-AEFFLSMTSA-N 432.973 4.640 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@](C)(CC)C1 1539052841 JHMDNJAZLKFLNH-WZONZLPQSA-N 430.980 4.880 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1539060563 YAKCPBOTKOYDLL-UHFFFAOYSA-N 448.880 4.638 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1csc(C)c1 1539159161 RXANVOADCBEINN-UHFFFAOYSA-N 435.778 4.849 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1C[C@H](F)c1ccc(Br)cc1 1539295742 FARJIZFWQFDBHR-LPHOPBHVSA-N 431.353 4.728 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCCC(C)(C)C1 1539497586 LYBCCFBYFAKIPN-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CCCCC1 1539558390 HJAPAVDNZJAWEF-JWQCQUIFSA-N 441.019 4.846 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](COc2ccccc2)C1 1539686102 FRMRXLUUBNKJMR-MRXNPFEDSA-N 442.361 4.517 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCCCC1 1539779036 LRCOTDACIYFVON-UHFFFAOYSA-N 426.790 4.815 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)=C(C)C1 1539818089 ZKALFZSMKQWHSC-UHFFFAOYSA-N 437.769 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC[C@@H](OC)C(F)(F)F)CC1 1539832740 XXZVBLNWCYHSLB-HXUWFJFHSA-N 445.489 4.926 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1539854197 NKVVXRWGNRJXHG-UHFFFAOYSA-N 435.494 4.552 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1539939244 FRQZLIXHQJPXTL-JOCHJYFZSA-N 447.583 4.511 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1539939918 LTDKVUVQBPNZDV-JTHBVZDNSA-N 431.584 4.951 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(=O)OC)C1 1539981477 IVEXXNCAIFIVBP-AWEZNQCLSA-N 430.961 4.779 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(CC1CCC1)CC1CC1 1540860189 QUKAFXUMQNDYQJ-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ncc(C3CCOCC3)s2)s1 1543670234 HPXGMYQETZPFKN-UHFFFAOYSA-N 430.020 4.828 30 10 IJEE CC1CCN(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CC#N)CC2)CC1 1544514033 FKPBFZFKXWUNIY-UHFFFAOYSA-N 444.986 4.600 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3ccccc3Cl)CC2=O)cc1Cl 1544805358 ADIBPFZQNNNLJI-MGPUTAFESA-N 428.319 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccnc(Oc2ccccc2Br)c1 1562389637 HCRIBDOMBRCVDX-KUHUBIRLSA-N 432.318 4.739 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCCC1(C)C 1564041791 LVYZYAVALKBQAS-MOPGFXCFSA-N 435.515 4.560 30 10 IJEE CC(C)c1ccc([C@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)NC(=O)OC(C)(C)C)cc1 1565645393 CYZDXXRAZBFZCZ-NRFANRHFSA-N 443.494 4.956 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 1584314943 CKAYFJZKUKAXJQ-XOBRGWDASA-N 434.367 4.769 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cc(Br)c(C)cc1Br 1584416888 XHOMKANRPZJHPY-UHFFFAOYSA-N 427.058 4.548 30 10 IJEE Cc1c(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)sc2ccc(C#N)cc12 1586873397 IFOQCWZSMCCGQJ-UHFFFAOYSA-N 427.932 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](CC)N1CCCC1 1587567228 DGSNINFJFAWLIK-NZQKXSOJSA-N 444.627 4.685 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1588457953 ARRVNCSUVAJKPM-XRXFAXGQSA-N 444.664 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1589545626 OHLBUOKBTNYKNW-DGGJZMOXSA-N 430.543 4.860 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](OC)C1CC1 1589625317 AZSVKQPCACOXEM-IBGZPJMESA-N 449.393 4.544 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1589708371 JZIHKLPOIOFMEB-FUHYEJFZSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)N(C)C2CC2)CC1 1594218322 CTFFQWFEQRSWKC-MRXNPFEDSA-N 444.421 4.593 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@@H]1CC 1594825364 YLVMDSVXSZXGKV-IBGZPJMESA-N 443.642 4.802 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C(C)C)N1CCCC1 1594857911 TXPWWZBKFUJNDQ-RXVVDRJESA-N 432.012 4.814 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@](C)(CC)O1 1594895166 GFHSTLNJLMQNQA-KKSFZXQISA-N 449.393 4.686 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCC=C(C)C 1595275648 JWEUAASZXQPMMB-UHFFFAOYSA-N 425.396 4.764 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C)=C(Br)C1 1595319259 JFAAXCWQXYBRHR-INIZCTEOSA-N 447.377 4.882 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2CCC(OC)CC2)C1 1595705767 DUXCQPNJMZFOLP-CTWPCTMYSA-N 430.980 4.585 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)cc(OC)c1OC 1597897692 NGAXSATUOVMIIM-UHFFFAOYSA-N 431.488 4.924 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccnc(OC2CCCC2)c1 1612256264 BNIIFTJBAIJJER-IBGZPJMESA-N 430.556 4.757 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccccc1 1616818692 ZNSSLAAQQWAHMX-WJOKGBTCSA-N 429.545 4.867 30 10 IJEE N#CC(CCN[C@@H](CO)c1cccc(Br)c1)(c1ccccc1)c1ccccc1 1617153724 DDICAXKAWTVFGQ-QHCPKHFHSA-N 435.365 4.972 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O 1618136125 RWSUDVKMJZJTSO-UHFFFAOYSA-N 430.879 4.884 30 10 IJEE COC1CCC(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)CC#N)CC1 1619477616 DVYGIZLRHLIBIK-MUYFXNHWSA-N 447.530 4.880 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cccc(Cl)c1Br)c1ccc(Cl)cc1F 1622121772 UKGCMUJKHXBDQB-ZDUSSCGKSA-N 437.117 4.548 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 1622836404 ZHYQBCBJMQYXRP-WMLDXEAASA-N 441.475 4.735 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@@H]3[C@H](O)c3ccccc3)c2)nc1 1623142691 FXHFMNUWQYGANO-ISKFKSNPSA-N 428.492 4.866 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 1623168831 ACNMEYJBPROSGU-CYBMUJFWSA-N 437.334 4.903 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)n[nH]2)c1C 1625166386 IZEKHNZKECXRND-QFIPXVFZSA-N 435.528 4.796 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1625282021 NWOWAJUDEBWKGG-UHFFFAOYSA-N 439.515 4.595 30 10 IJEE C=CC1(CC(=O)NCCOc2ccccc2-c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1626940283 FDYRBQZKUMMFNC-UHFFFAOYSA-N 436.552 4.662 30 10 IJEE C=C(C)c1cccc(NC(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)c1 1627395441 ZZXAVUNPBYRUJA-MRXNPFEDSA-N 447.486 4.683 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)C(C)C 1628248763 BDNXTUBBGCHLCR-JOCHJYFZSA-N 445.966 4.557 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1cccc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1629238054 CXGITALPLGCRQE-NLBZTSMMSA-N 428.301 4.977 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(COCc2ccco2)c1 1629903844 PRYWIMVDCVBDPT-HXUWFJFHSA-N 448.947 4.649 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc4cc(Cl)cc(Cl)c4[nH]3)n[nH]2)c1C 1631008645 ICUNGHRNJXIKMI-UHFFFAOYSA-N 430.299 4.511 30 10 IJEE C=CCC[C@H](NC(=O)Cn1c(S)nc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 1632367813 ZTRYBAXZAGGMQQ-KRWDZBQOSA-N 447.482 4.528 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc(C2CCCCC2)cs1 1632597974 SDTURDWWBBUYSU-INIZCTEOSA-N 442.025 4.885 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)cc1 1637033984 BINXYRNAFVINCE-SFHVURJKSA-N 429.314 4.635 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(Br)ccc1OCc1ccccc1)C(=O)OC 1638400874 AULKDTVCLMIPIV-IBGZPJMESA-N 446.341 4.656 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(C)(CC)C2)c1 1641278062 QWGMLWDMALUTRE-UHFFFAOYSA-N 432.973 4.593 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)OC 1643353217 GQYJPVVPYMGGRR-KRWDZBQOSA-N 444.553 4.675 30 10 IJEE Cc1ccc(-n2c(SCCC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)cc1 1643420066 DYDIESGIFPGAST-UHFFFAOYSA-N 440.528 4.687 30 10 IJEE COc1ccc(-n2c(SCc3cc(F)ccc3C#N)nc3ccccc3c2=O)cc1OC 1651735733 CTCQYEJIRZXZMK-UHFFFAOYSA-N 447.491 4.706 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N(Cc1cc(Br)ccc1F)C(C)C 1653829168 ADMYLSIMZCRECQ-UHFFFAOYSA-N 443.313 4.507 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OCC)c2ccccc12)c1ccc(Br)cc1 1655458787 HDSSZDNREHHTDN-IBGZPJMESA-N 444.350 4.654 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccc(C(F)(F)F)cc1 1661028761 IMLNTSSXOHKVLE-QGZVFWFLSA-N 445.434 4.617 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2nsc3ccccc23)cc1OC 1662956091 SFEIBAQLHYNZCV-UHFFFAOYSA-N 433.371 4.965 30 10 IJEE C#C[C@H](CC)NC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1665561366 TXOGLHPFTAVAJZ-APWZRJJASA-N 436.408 4.865 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(Cl)cc3-n3cccc3)CC2)nc1 1668890319 DDPXQIXVLPGEMB-UHFFFAOYSA-N 435.915 4.909 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)cc(OC)c1OC 1671652362 MBAFEVIUNNYMLS-AOMKIAJQSA-N 437.540 4.515 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1671793602 LVZGBHBZRITSHI-RPWUZVMVSA-N 446.934 4.841 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)c3ccc(OC)c(Br)c3)cc2n1 1673215669 HEHYUKQXJYCIKK-ZDUSSCGKSA-N 429.318 4.876 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](CC(=O)OCC)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1673369853 LDGVECIQQFZHNQ-HUUCEWRRSA-N 440.384 4.896 30 10 IJEE C=CCC1(CNC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)CCCC1 1675398620 DDDOMUWENSRJCX-YLJYHZDGSA-N 437.987 4.677 30 10 IJEE CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1678153932 BBPDTWLLZFNSGA-FCHUYYIVSA-N 448.615 4.632 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1682827665 KZRIHAPPBSCTHE-MJGOQNOKSA-N 427.545 4.833 30 10 IJEE CN(C)C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(C(F)(F)F)c1 1683258802 GYSYSPNXIYQFAT-SFTDATJTSA-N 430.474 4.557 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(OCC)c(OCC)cc2C1)c1ccc(Cl)cc1F 1686922477 JTTRLOWVCRBQHL-FQEVSTJZSA-N 430.907 4.719 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C(F)(F)C12CCC2 1689828189 LVVGJBAPDHZTSZ-ABSDTBQOSA-N 444.526 4.710 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCS1 1690033266 UJSFGUUGTANFQU-GHTZIAJQSA-N 443.016 4.820 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)c1nccs1 1690088314 IKQAQOQLYUTDCW-INIZCTEOSA-N 435.528 4.886 30 10 IJEE C=C(Br)Cn1c(N2CCc3cc4c(cc3C2)CCCC4)nnc1C(C)(C)C 1690234862 PKQULGYKOGWJSO-UHFFFAOYSA-N 429.406 4.926 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)C[C@@H]1CC 1690239092 REXIRDALFIILRG-HIRMHNASSA-N 448.409 4.642 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CC1 1690364755 WYBJDDNCUSXGAN-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1690435311 YYPSZLXXGNOZJF-QFIPXVFZSA-N 431.584 4.869 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(Cl)c1 1690607365 LCWHMASBFPFOHB-GOSISDBHSA-N 444.938 4.841 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)c2ccccn2)C1 1690688054 NFFQSNUACQYDNC-HXUWFJFHSA-N 437.975 4.753 30 10 IJEE CC(C)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)N1CCCCC1 1691343370 ASRMEFBMWMPNIY-UHFFFAOYSA-N 441.023 4.527 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1705511507 WWOYHFBHBKVRTB-AEFFLSMTSA-N 432.410 4.865 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1705516086 UFMDNIDWAIMIAM-IBGZPJMESA-N 441.570 4.901 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCO[C@H]1CCCC[C@@H]1C 1705606505 VPRVAJKHTABUIO-CYFREDJKSA-N 431.584 4.857 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC(C)(C)C(F)(F)F 1705619402 PVHQPYFTUBCMSG-UHFFFAOYSA-N 431.437 4.708 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H](C)C#N 1705653980 UWNOIFUQGPWIFQ-CRAIPNDOSA-N 446.020 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1[C@@H]1C[C@H]1C(C)C 1705671516 MYHKYXISGMNXCC-AQOAWAETSA-N 443.389 4.925 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC[C@](C)(CC)O1 1705677658 XDGNRBSGOXRMEH-QGDZQMKYSA-N 436.600 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(C)cs1 1705696557 ORDFZTRVPICYTO-PXNSSMCTSA-N 444.004 4.981 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C(C)C)C1 1705728714 SYYOVVMVPKNADY-ZWKOTPCHSA-N 435.638 4.504 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1705784595 BNGAUNSBPMMWIJ-AUSIDOKSSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705791821 FEFRMTIBCRAMPA-UHFFFAOYSA-N 432.634 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)CC 1705792494 UPMHFMCNPDBBMT-IBGZPJMESA-N 425.625 4.537 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1 1705806293 ATOUJZAVOAHGLD-LJQANCHMSA-N 443.592 4.978 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705824273 LIGYSADWCNTLRW-XRXFAXGQSA-N 430.637 4.947 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[C@@H]1CCCCO1 1705837110 PYKXQYMHDBJENH-INIZCTEOSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCSC(F)(F)F 1705865497 LKMMRMZDPKMYHO-UHFFFAOYSA-N 425.505 4.847 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705912558 NKQMYRRKBPHJLY-RUZDIDTESA-N 435.572 4.528 30 10 IJEE CCc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1708932834 ATYQNWAKHCIXLM-XMMPIXPASA-N 446.580 4.531 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1cc(Br)cs1 1722299290 GOLVIBZEEPBRAJ-OAHLLOKOSA-N 429.387 4.508 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722330916 QXBNZEJFUGJQRU-RTBURBONSA-N 445.405 4.761 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1ccco1 1722341352 WMJNRFDWDCNCQJ-ROUUACIJSA-N 427.549 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCCN1CCCC 1722393727 ICJHYNVJSDWAOF-QFIPXVFZSA-N 442.611 4.544 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722404133 RNCMQNSEKVGXLH-GBXCKJPGSA-N 448.567 4.638 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCC(OC)CC1 1722406999 LHYYDOSYVBEMGC-ZJRDLVKKSA-N 430.980 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CC1(C)CCC1 1722475780 ILZHVYGAJFIXBP-JOCHJYFZSA-N 443.389 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CSCCS1 1722516162 UYQPWTHNCDTHAC-IBGZPJMESA-N 427.643 4.532 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](OCCOC)C1 1722518732 IOPNAKDUFDUSJU-HSZRJFAPSA-N 449.599 4.561 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cc(Br)cs1 1722521068 CFEYYIJAIGUWAZ-UHFFFAOYSA-N 447.358 4.710 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1722521798 XGCORWCZPCOYQY-OAQYLSRUSA-N 440.588 4.570 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=C(COC)CC1 1722545188 WQZNOWXHKYHHMN-UHFFFAOYSA-N 437.769 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H]1CCCCO1 1722584123 BHPDDSZZIKBTFW-HXUWFJFHSA-N 434.588 4.943 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1722599608 YIWMGSIOKWVOGA-MRXNPFEDSA-N 440.498 4.757 30 10 IJEE CCOC1CC(CCn2c(COc3ccc(C)cc3)nnc2N2CCC(CC#N)CC2)C1 1728916371 GRNRKMZPFBFAAJ-UHFFFAOYSA-N 437.588 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCO[C@H]1CCCC[C@@H]1C 1740558673 GQTNCFTTXJYUQG-UFYCRDLUSA-N 442.629 4.632 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CCCN(C)C(=O)OC(C)(C)C 1740661528 DPHSYQOOJWXPGP-OAQYLSRUSA-N 439.604 4.537 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccncc1Cl 1740661852 KYBQGPAWSROMCT-HNNXBMFYSA-N 430.339 4.628 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740761260 VLTZJNXGKLTOST-AAIMPIBUSA-N 445.007 4.689 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC1CC1)C1CCC1 1740782225 HRKBXYALDITGJU-UHFFFAOYSA-N 429.609 4.738 30 10 IJEE C=C(C)COCCn1c(N2CCS[C@@H](C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1740799626 QJMGXYMWFUHXKS-UXHICEINSA-N 426.630 4.671 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740893337 GNZYQBVKUHRSSI-VQIMIIECSA-N 445.995 4.866 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC1CCC(OC)CC1 1740919984 ZELNVGNKOSIESZ-UHFFFAOYSA-N 435.547 4.877 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1cccs1 1740923867 YDRMTCBFYLMMEG-GCJKJVERSA-N 444.626 4.743 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1c(CC)noc1C 1740929822 IUGPVWLBMHOXOH-UHFFFAOYSA-N 430.512 4.686 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCC 1741005166 TTXZJQOABCXHNI-MSOLQXFVSA-N 437.654 4.894 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1748740116 LLIDXYBWFSHFOY-UHFFFAOYSA-N 435.355 4.665 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2c(F)cccc2Cl)nnc1[C@]1(OC(C)C)CCOC1 1749281415 BTKMOPKTVAWBSX-FQEVSTJZSA-N 443.350 4.500 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNC(=O)C2CCC2)CC1 1749331044 CHQODFZVRGDQKM-UHFFFAOYSA-N 449.643 4.951 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCO[C@H](C)C2)CC1 1749335118 LBBXWLXPAOROPG-AEFFLSMTSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](CCOC)C1 1749354167 KMSHVFNBSRHFCO-HXUWFJFHSA-N 439.604 4.612 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1749367003 ONDJFASSIDBZHO-LJQANCHMSA-N 445.995 4.850 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C)C1 1749401915 FVPXTXXJAGRNQQ-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1OC 1749414624 DPZXCACVTXLMMK-UHFFFAOYSA-N 444.377 4.689 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)CN1CCCC1 1749501841 INIICLPOHHTBLI-INIZCTEOSA-N 438.403 4.518 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCSC1 1749531166 CZEQZPKKSINUBW-OAQYLSRUSA-N 435.622 4.748 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1749553035 DSPZKFHTGMTHFH-CYFREDJKSA-N 444.645 4.849 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC(C)(C)C1 1752311573 CYRKGMKENHKBLT-RXVVDRJESA-N 432.572 4.585 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1(COC)CCC1 1760103469 GKUVKNNSNMJAPG-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SC)c1 1760227671 KCBFGRWHBJIRPH-MRXNPFEDSA-N 441.988 4.696 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1760276948 UQYGQXSLYYLAKP-AWEZNQCLSA-N 447.942 4.836 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)c1c(C)noc1C 1760295571 GRPBOHSVSDRLBM-VOIUYBSRSA-N 437.975 4.923 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1760354959 UIVYSHOOQWJCIR-UHFFFAOYSA-N 436.556 4.728 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1760370088 GZTJPONDFAVAEA-FQEVSTJZSA-N 448.995 4.746 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCc2csc(C(C)(C)C)n2)CC1 1760403003 CAPGCTSDDXWKDK-UHFFFAOYSA-N 436.629 4.663 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC2(CCCCC2)C1 1760428638 AUGUHZFOBXOLQN-UHFFFAOYSA-N 438.616 4.968 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)s1 1760484585 DWELIQVNUUAVRM-IBGZPJMESA-N 426.561 4.922 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)F)C1 1760567118 PSDHUILITLLCEX-CQSZACIVSA-N 428.499 4.548 30 10 IJEE Cc1ccsc1CCn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1 1761614176 AKOPZYFGOLCXQX-UHFFFAOYSA-N 439.560 4.739 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CC1 1768165189 DEQILNPEMXWBEO-JOCHJYFZSA-N 441.988 4.975 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)C1 1768359553 DJKYDAXLDRQTNP-SFTDATJTSA-N 439.629 4.744 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@H](C)C1 1771100075 FYOVJEZRWFWYRE-WMZHIEFXSA-N 444.583 4.609 30 10 IJEE C=CCN(CC=C)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 1860169531 SOKBTNUVTUSZKZ-RUZDIDTESA-N 443.547 4.562 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1 1860463653 MFCNNIUJTROWCR-LBPRGKRZSA-N 440.912 4.502 30 10 IJEE CC[C@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)OCc1ccccc1 1860827553 UWDBKKLYMOZIQQ-SFHVURJKSA-N 439.924 4.988 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(OC)cccc1OC 1861483979 AJAUQSSVRZXBQD-NRFANRHFSA-N 440.584 4.522 30 10 IJEE C=CCNC(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1861548752 HMBQCIVJCQIJKO-ZHSJKAEUSA-N 426.944 4.519 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCc2cnc[nH]2)c1 1862649324 VUCCKASREHAAAA-DEOSSOPVSA-N 437.499 4.692 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 1862673593 FOAUPJJSAHJGFO-NPMXOYFQSA-N 447.462 4.879 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862684393 VWCHJVQEICZSIX-QFIPXVFZSA-N 441.499 5.000 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863277317 ZGGARSNBSMHKLB-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3cccs3)C2=O)ccc1F 1863462504 DYOVXHIHKJDRQS-UHFFFAOYSA-N 431.492 4.502 30 10 IJEE CC(C)(NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867123259 UNDKFFORGLFDRX-HXUWFJFHSA-N 447.485 4.892 30 10 IJEE CCCC[C@@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867709034 YZMHVMSDJVEWFW-DNQXCXABSA-N 435.568 4.700 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868291259 MZTAIIOAXLJYTF-JOCHJYFZSA-N 444.970 4.727 30 10 IJEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2CCCCCO)c(C#N)c(C)c1C 1870258669 AKZQXVMPBZRHEZ-UHFFFAOYSA-N 443.613 4.530 30 10 IJEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CN(CCCC)CCCCCC 1870761471 FSDNDNCRVXTBKL-UHFFFAOYSA-N 434.621 4.939 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1ccccc1CC 1871237194 HZOHRMBVAGMERR-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE COc1ccc(OCCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871345391 OUUSIPYGPXORSV-IWIPYMOSSA-N 443.499 4.851 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O 1871350772 UIKMKEVOPHCKES-NDENLUEZSA-N 444.325 4.644 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1OC 1871374609 UCNWGGLWAAVILQ-QRVIBDJDSA-N 430.456 4.777 30 10 IJEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521303 YNMCEBIOEBHDLG-UHFFFAOYSA-N 441.580 4.520 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872028142 KDYRPNDLEQYXHS-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872108727 IEIIGRUBTUXBSS-WZONZLPQSA-N 439.581 4.706 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872441250 LUERTGFIGACDFU-MBSDFSHPSA-N 428.598 4.842 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(OC)cc4C)CC3=O)sc2C)cc1 1872796308 ULSHNEYFAPQMLF-UHFFFAOYSA-N 435.549 4.551 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1c(C(=O)O)n(C)c2ccccc12 1873501493 ZCHDZWSXKARITP-ZVHZXABRSA-N 433.537 4.595 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611673 MCYFBIHGPFNSBC-UHFFFAOYSA-N 444.514 4.687 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(F)c1)n2Cc1ccco1 1873661897 GJQYDJTZUASBEY-UHFFFAOYSA-N 431.471 4.642 30 10 IJEE CCc1ccc(OCCCc2nnc(SCCCO)n2/N=C/c2cccc(C)c2)cc1 1874223980 MOVSYMDJHXFTDF-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874270886 UJSWGFKOIJKLLU-OEAKJJBVSA-N 433.493 4.630 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874284505 KEAPOTVISPEIIV-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)cc1 1874305736 MQXFESXLSQQKNM-KOEQRZSOSA-N 431.565 4.585 30 10 IJEE CCCOc1c(/C=N/n2c(COCc3ccccc3)nnc2SCC)cccc1OC 1874353754 ZTEVYAWZDHAGJX-BUVRLJJBSA-N 440.569 4.787 30 10 IJEE COc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)c1O 1874412610 RPGQUKIHMDBQCY-OEAKJJBVSA-N 436.562 4.819 30 10 IJEE CCSc1nnc(Cc2cccs2)n1/N=C/c1cc(Br)ccc1F 1874412729 NUIMQSBFFCNNBY-VXLYETTFSA-N 425.352 4.826 30 10 IJEE CC(C)(C)Cc1nnc(SCCCO)n1/N=C/c1cccc(OCc2ccccc2)c1 1874440394 YSDAATJSZSJFDU-KOEQRZSOSA-N 438.597 4.802 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2C)c(C)c1 1874453964 WRUTVCRHVFTWQQ-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE OCCSc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874498823 RNOGEEZXQHDYLK-ZVHZXABRSA-N 442.972 4.745 30 10 IJEE Cc1cccc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)cc2Cl)c1C 1874534695 WNHACBDUDRNBOC-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE CCOc1ccc(OCc2nnc(S)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874567648 JAYPGRGIQAEUOM-ZVHZXABRSA-N 434.521 4.589 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Br)ccc1OCCCO 1874592378 WDYMMOIRGLHCDW-ZZXKWVIFSA-N 425.706 4.768 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)c(Br)c1 1875118901 UTGUONBUNVEKCW-CSKARUKUSA-N 438.277 4.968 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(OC)c1OC(=O)CCOC 1875189942 MRVSBBQAPFBAQG-MDZDMXLPSA-N 438.520 4.887 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)c3cc(-c4cccc5ccccc45)on3)CC2)c1 1891708631 CKLIFCCJNZWKCV-UHFFFAOYSA-N 438.487 4.693 30 10 IJEE CC#CC[C@H](COc1ncc(Br)cc1C(F)(F)F)NC(=O)OC(C)(C)C 1903151045 DGGXIAMNBSJKAC-GFCCVEGCSA-N 437.256 4.548 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1962793597 AJJPEFJWMAFJNO-DOTOQJQBSA-N 429.399 4.583 30 10 IJEE N#Cc1ccc(Nc2cc(Br)c(Br)c(Br)c2)cn1 2034335322 RULYPBJYOVUJOH-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2079062460 QAEYDEBPORPYNG-AVVUEXNVSA-N 433.240 4.787 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1C 2079954461 MJZLOXUUTVJUTO-SFHVURJKSA-N 435.309 4.799 30 10 IJEE Cc1nn([C@H](c2ccc(OC(C)C)cc2)C2(C)CC2)c(I)c1C#N 2080103513 JSWXBMLLSIPACF-QGZVFWFLSA-N 435.309 4.845 30 10 IJEE CC(C)(C)c1nn2c(=O)cc(-c3ccc(C(F)(F)F)c(Br)c3)[nH]c2c1C#N 2080989335 GAPVAXXGPNXJDU-UHFFFAOYSA-N 439.235 4.640 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)cc1Br 2145272037 WNKPKEZBWCQIRL-LAUBAEHRSA-N 428.349 4.951 30 10 IJEE CC1(C)OB(c2ccc(CNCC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)cc2)OC1(C)C 2159216538 IBCMNOKOTZAUSV-VORXZUAXSA-N 446.444 4.519 30 10 IJEE C=C(C[C@@H](NCCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)OC 2171022630 NDCNCOHHOQASKR-RTBURBONSA-N 441.410 4.803 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1c1ccc(C#N)c(Br)c1 2174811220 VLMPZNWEXJXUPD-KRWDZBQOSA-N 448.283 4.747 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(c3ccc(C#N)c(Br)c3F)C[C@@H]2C1 2174813040 RFTKHIFLSLKECC-DZGCQCFKSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(C#N)N(CC2CC2)C(=O)OC(C)(C)C)C1 2213336614 OMQSYCGNDZGETH-GLDPYIMESA-N 433.593 4.953 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2235720912 CYMIIWPEADZFGR-QWFCFKBJSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCCCN1C(=O)OC(C)(C)C 2235727801 QALIUKIQHWPCKH-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@@H](O)C#Cc1ccccc1Br 2235739198 GMVVDKAZUDOZRB-SIKLNZKXSA-N 430.342 4.602 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1sc(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2247807808 YGLDETURNDORAU-UHFFFAOYSA-N 425.403 4.883 30 10 IJEE C=C([C@](C)(OCCN)c1cc(Br)c(Br)s1)[Si](C)(C)C 2277204114 INVJCZLUAFFRRU-ZDUSSCGKSA-N 427.278 4.897 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1snc(C)c1NC(=O)OC(C)(C)C 2278802331 YBSJLHQZAPTOFZ-OAHLLOKOSA-N 436.375 4.873 30 10 IJEE C=C1CC(COc2c(N)cnc3ccc(Br)cc23)(NC(=O)OC(C)(C)C)C1 2280075175 PESANNFVOCAZGG-UHFFFAOYSA-N 434.334 4.572 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccccc2Br)CC2(CC(F)C2)C1 2289193220 GYBJRDBGCBGUCI-UHFFFAOYSA-N 436.321 4.545 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C 2296223155 ZHAROWBFEIQYTP-OXJNMPFZSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@@H](O)C#Cc3cccc(Br)c3)C2)C1 2296230971 YTIOVIQGCSNMGX-OZWAEMERSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C 2296288143 CNOVSNQLONGXTP-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2296293650 LWNQNIFOWZDPRB-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1(CC)CN(C(=O)OC(C)(C)C)C1 2296295918 ILZNUCSAQBWZBA-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296297040 VAJDOCUYJHAAQK-QUCCMNQESA-N 435.406 4.816 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)c1 2321096064 RUQAJBRTAPOBCD-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1cc(C=Nn2c(S)nnc2Cc2ccccc2F)ccc1OCc1ccccc1 2321981785 PXNGYRNJNWYOEK-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccco2)C4=O)cc1OC 2322210913 AKHQWCIKKUIEIU-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)C1 2322377407 COAFJWOBBWDJFT-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2322833106 NHRQZKLLBXADLD-UHFFFAOYSA-N 434.275 4.749 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)c(OC)c1 2322904178 PURSZRVNGGDUDZ-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1cc(O)c(CN(CCO)Cc2ccccc2)c2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324010070 ZEWLXCKBYUFAGG-UHFFFAOYSA-N 449.934 4.965 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2325423941 VUKBQXLLSOHSPN-HNNXBMFYSA-N 446.459 4.569 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 2325718179 SFCNBNSORFAIPJ-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1c(C)n(C)c2ccccc12 2326760173 AOMOBFPAQLOIHA-UHFFFAOYSA-N 447.564 4.602 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccc(OC)c1OC 2327476483 GAEXJHVTNYCGGU-UHFFFAOYSA-N 448.495 4.537 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccccn2)c1 2328453833 FVEAGZLXWMOKHQ-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE Cc1cccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2N=Cc2cccs2)c1 2328998229 HSYBHDWRTWYSIJ-SFHVURJKSA-N 439.610 4.547 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCCO)cc1 2330290130 UXPMLDIZLCOVSW-UHFFFAOYSA-N 430.618 4.937 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1cccc(F)c1)Nc1ccccc1 2330625323 BAYCHLXWJFQAGS-UHFFFAOYSA-N 431.496 4.697 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1cccc(O)c1 2331323588 IBFQTYBFBCQNCW-UHFFFAOYSA-N 437.569 4.502 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccs2)c1 2331377231 ZRGHTNNDUBLEOR-UHFFFAOYSA-N 427.599 4.867 30 10 IJEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Br 2331399746 UDYBRTKWDZNAQT-UHFFFAOYSA-N 431.282 4.822 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1cccc2ccccc12)NCc1ccco1 2331510403 FNNMBNINYRHKOW-UHFFFAOYSA-N 445.548 4.583 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 2360194152 IZPIBGLBWWOISR-FYQPLNBISA-N 433.390 4.567 30 10 IJEE Cc1cc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c(F)cc1Br 2364847747 BXYZMQVVEZCECW-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CC1(C)[C@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CCN1Cc1ccccc1 2364928387 SVXWOJQWJACIJM-QFIPXVFZSA-N 445.416 4.570 30 10 IJEE Cc1cc(CN[C@H]2CN(Cc3ccccc3)C3(CCC3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369690799 CGJDJVNLQKMZSV-XMMPIXPASA-N 446.444 4.581 30 10 IJEE CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N(CC)C2=O)cc1 20595549 SDOQNTSPTZOSMN-IPQBESIJSA-N 429.517 4.595 30 10 IJEE C=CCOc1ccc(C(=O)N(CCC(=O)OCC)Cc2ccccc2)cc1Br 36564951 IXDVGPGBYCZGNF-UHFFFAOYSA-N 446.341 4.610 30 10 IJEE CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(OCC)c(OC)c3)NC2=O)cc1 39888287 ZANRXSLGHSXGDW-NJRDNMGOSA-N 439.581 4.601 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)cc1 41355211 PSMNDNWJJJSOTN-XKZIYDEJSA-N 428.440 4.925 30 10 IJEE CC(=O)Nc1cccc(C(=O)/N=C(\NCc2cccnc2)Nc2ccc(C(C)C)cc2)c1 46127750 ISZNQUYLKSRPAE-UHFFFAOYSA-N 429.524 4.562 30 10 IJEE CCOc1cccc([C@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4F)nn32)c1 54643987 KQBGGQQDJQOZHP-NRFANRHFSA-N 438.528 4.986 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccccc2C)n[nH]1)c1ccc2ccccc2c1 59021929 WYEXUYVNCNEZDW-QQXSKIMKSA-N 430.537 4.833 30 10 IJEE CC(C)(C)OC(=O)/N=C(\N=C(/O)OC(C)(C)C)Nc1ccc(OCCN2CCCC2)cc1 71261339 WXXWRPVOIXRIHF-UHFFFAOYSA-N 448.564 4.593 30 10 IJEE CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O 103024622 VKVYAUXSAKSJFL-DJKKODMXSA-N 429.856 4.663 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccs1)c1c[nH]c2ccccc12 169983232 GCPJJIZMOGFXOF-NRFANRHFSA-N 444.468 4.741 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12 170073096 GFNKIPMNHAKINB-QHCPKHFHSA-N 443.503 4.653 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114753 UXQXQKKGSINZIU-NRFANRHFSA-N 436.464 4.514 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)cc1C 170122555 BHGWWKVHZIWDPQ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1 170122590 GJRTVPOPOFYYSY-GYCJOSAFSA-N 441.483 4.802 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccnc1 170197273 NFABORBOTDLHML-LJQANCHMSA-N 426.900 4.573 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccncc1 170211016 BDRPFDWZAMVFEO-HXUWFJFHSA-N 444.915 4.521 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 170244487 RASJTWOXPIBFJD-HSZRJFAPSA-N 437.536 4.822 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OC)c2)c1 170409445 KLYIKWIBJXRHDE-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OCc2ccccc2)cc1 170412294 TXGXHYZOXJBOHL-QFIPXVFZSA-N 449.528 4.552 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC(C)C)c2)c1 170475634 HMYLRYOIAOJHIG-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE CCCc1ccc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1 170536924 JUDRQBTTXASYQA-UHFFFAOYSA-N 425.492 4.571 30 10 IJEE C=CCn1c(=NC(=O)c2ccc(-c3ccccc3)cc2)sc2cc(S(C)(=O)=O)ccc21 254596318 TYMPBSKPKJLHHW-UHFFFAOYSA-N 448.569 4.700 30 10 IJEE CN=c1scc(-c2cc(OC)c(OC)c(OC)c2)n1N=Cc1c(C)cc(C)cc1C 254616400 FLZFZSBLBZEEMH-UHFFFAOYSA-N 425.554 4.580 30 10 IJEE FC(F)(F)c1ccccc1C=NNc1nc(Nc2ccccc2)nc(N2CCCC2)n1 254624209 OXFUXEWBYNGHIE-UHFFFAOYSA-N 427.434 4.680 30 10 IJEE CCOc1cc(C=NNC(=S)Nc2cccc(C)c2)ccc1OC(=O)c1ccccc1 254628021 GDJVATHFOCCQJA-UHFFFAOYSA-N 433.533 4.933 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCCC 406715317 SSNGCWRJRYCOMT-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE CCO[C@@H]1C[C@@]2(NC(=O)N(c3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2=O)C1(C)C 445988351 NHMJOZQBOKCEBT-XXBNENTESA-N 439.899 4.634 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)cc1C#N 461273293 RRLVOWGWFBKUIJ-INIZCTEOSA-N 437.487 4.787 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)n1 494599872 UHCCTZDRKPMDIQ-UHFFFAOYSA-N 434.862 4.539 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 508800471 GIYSGSXYLPNVGT-MBSDFSHPSA-N 431.515 4.573 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)CC1 509731278 VDVUZDUFDCUMGE-HXUWFJFHSA-N 443.636 4.512 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 520143796 YNHIGDWTQWNTND-HNNXBMFYSA-N 432.318 4.686 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)cc1OC 526487652 DRJKXEHUDYANGL-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526488509 KBLVMBTYYPVDGA-XMMPIXPASA-N 425.488 4.690 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccn2)c1OC 526608219 BERIITINOPVAHV-NRFANRHFSA-N 447.878 4.681 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OC)c1OCC 526825560 ZJFYZHKWCQWDSS-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccsc2)C1 549262681 OUELAUIQDLNYLP-OXQOHEQNSA-N 428.533 4.773 30 10 IJEE C=CCSc1ccccc1NC(=O)CN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 561902040 JISNBVBTSXLSEX-HNNXBMFYSA-N 440.491 4.618 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 582773106 DOZGPERPVPCREF-OAHLLOKOSA-N 447.008 4.932 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 610304601 MHPUYSHGBGQIEV-QHCPKHFHSA-N 440.478 4.937 30 10 IJEE N#C[C@@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CCN1C1CC1 732665016 SOWMVJLDSDGGMJ-QGZVFWFLSA-N 428.508 4.557 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)CCC[S@@](=O)c1ccc(Br)cc1 735206781 DJUGPUOVIKGZPS-AREMUKBSSA-N 437.355 4.680 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCC3(CCCCC3)C2)c1=S 742165237 FQGPSYVWAPFZFE-HXUWFJFHSA-N 426.586 4.726 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 750691566 NHXONFSOZUFXQD-HXOBKFHXSA-N 441.553 4.642 30 10 IJEE N#Cc1c(NC(=O)CCC(=O)N2CCOc3ccccc32)sc2c1-c1ccccc1CC2 755236405 NYKBKSGLSXJGFI-UHFFFAOYSA-N 443.528 4.530 30 10 IJEE C=CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)c1nc(C(=O)OCC)cs1 772081266 SNMIRGBZWXGJMF-UHFFFAOYSA-N 445.541 4.808 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(F)c(Cl)c1 799213957 BHXLETFZJVMTQE-SFHVURJKSA-N 447.919 4.662 30 10 IJEE C=CCn1c(SC[C@H](O)c2ccc(F)cn2)nc2scc(-c3ccccc3)c2c1=O 799608375 YCIGHHWRMQQNNY-SFHVURJKSA-N 439.537 4.671 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809891507 TYBJAJLPTPBGFS-AMGIVPHBSA-N 446.595 4.751 30 10 IJEE C=CCOc1c(Cl)cc(/C=C2/S/C(=N\CC)N(CC)C2=O)cc1Br 1084099613 IFRVPOZOMKKPME-JHXOMCITSA-N 429.767 4.979 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc(C)c2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084352376 KIIRZFBNRPCHOI-UHFFFAOYSA-N 438.601 4.848 30 10 IJEE CC(=O)c1cccc(N/C(=N/Cc2ccc(C(F)(F)F)cc2)N[C@H]2CCCC[C@@H]2N)c1 1088665389 XXGFDDQESVBCCX-SFTDATJTSA-N 432.490 4.736 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 1124535879 UUDDBCSJPDPVLI-UHFFFAOYSA-N 446.503 4.558 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)c2ncc(C#N)cc2Cl)cc1 1125620657 BJILECTXLPSOQQ-NRFANRHFSA-N 430.895 4.515 30 10 IJEE Cc1cc(O[C@H](C)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)ccc1C(C)C 1125693325 AGUJKEZDHISUMW-HXUWFJFHSA-N 442.563 4.654 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC2(C)CC2)ccc1Cl 1128621566 WVECEUJKPQMGTR-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1)OCC 1129644646 FDMICBNWZSMMGP-QGZVFWFLSA-N 426.742 4.657 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC[C@@H](CC(=O)OCC)c3ccccc32)cc1OC 1134560529 VARGMKCRCKCKQI-ZQGDAAQZSA-N 435.520 4.747 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)c1ccccc1 1134654705 MJGKCXUQGGEBOX-SSEXGKCCSA-N 440.546 4.862 30 10 IJEE C=CCCn1cc(C(=O)Nc2scc(-c3ccsc3)c2C(=O)OC(C)(C)C)nn1 1135085107 JRNJGJKWBMTLLF-UHFFFAOYSA-N 430.555 4.852 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 1136948242 XPTPXBQVRCNKGF-OAQYLSRUSA-N 446.588 4.989 30 10 IJEE Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)c1 1147577874 CWRGUJDMEAJDEC-IZZNHLLZSA-N 437.543 4.837 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)n[nH]2)c1C 1151390631 VGEOZUWLKWACHJ-UHFFFAOYSA-N 434.725 4.744 30 10 IJEE CCOc1ccc(C(=O)N2CCC(Nc3c(C#N)cnc4c(Cl)cccc34)CC2)cc1 1162326007 FVAZHZFXXQTFFC-UHFFFAOYSA-N 434.927 4.875 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCCC(C)C)nc2sc3c(c2c1=O)CCCCC3 1164444499 ZLNDWBBEOVPPGK-HNNXBMFYSA-N 433.643 4.556 30 10 IJEE N#Cc1ccc(N2CCN(Cc3cc(F)ccc3Oc3ccc(F)cc3Cl)CC2)nc1 1180378790 IBJGKLUEXQWSPG-UHFFFAOYSA-N 440.881 4.999 30 10 IJEE CN1CCO[C@@H]([C@@H](Nc2c(C#N)cnc3c(Cl)cccc23)c2ccc(Cl)cc2)C1 1185986641 BVXOSDZJFUPROL-CTNGQTDRSA-N 427.335 4.897 30 10 IJEE COc1cc(CNC(=O)CSc2ccc(C#N)c(C)c2)ccc1OCc1ccccc1 1189581880 CEBGXGWTEBOCBJ-UHFFFAOYSA-N 432.545 4.863 30 10 IJEE C#CCN(CC(=O)N(CC=C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)CC1CC1 1192301957 DWZFFXCQBNPFRR-UHFFFAOYSA-N 434.392 4.981 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccc(C(F)(F)F)cc1 1211147070 CDOJUOBEYCNMEF-INIZCTEOSA-N 444.431 4.608 30 10 IJEE C=CCc1cc(CNC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc(OC)c1OC 1221552670 YXGMMBJRTILLNQ-NRFANRHFSA-N 448.922 4.508 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 1226795546 AACDKODDLQFFPR-HXUWFJFHSA-N 438.385 4.769 30 10 IJEE C#CCN(C(=O)NCC(C)(C)c1ccc(C)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1229144153 WYHZLJDTPDYRPM-UHFFFAOYSA-N 441.616 4.625 30 10 IJEE C#C[C@H](NC(=O)N(CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1230505393 QTAVVIBPMOGRPF-APWZRJJASA-N 437.943 4.584 30 10 IJEE C=CC[C@@H]1N(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CCCC1(C)C 1255412914 JAIOJNZKUZIPOF-SJORKVTESA-N 429.552 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC1CCCC1 1286278598 DYOBOUGCVFXWGE-ROUUACIJSA-N 426.630 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCC(F)(F)C(F)F 1286281601 KHXPGCZLNSYHOE-HNNXBMFYSA-N 440.485 4.618 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCS1 1286282490 QXAKIMDVCWKHNP-WBVHZDCISA-N 433.419 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)c1ccsc1 1286584096 XGLLHSLGXATGCB-DEOSSOPVSA-N 440.613 4.846 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)C2(CCC2)C1 1286613531 AOCMODQHVBPFAL-NJDAHSKKSA-N 430.637 4.806 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCc2c[nH]c3ccccc23)CC1 1286652785 LPTSTVSWXFBKHX-UHFFFAOYSA-N 448.615 4.713 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1286670103 AQEJNSQPVSOFAP-HBMCJLEFSA-N 445.652 4.643 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1286671983 DKEGEQCDSILRCE-SFHVURJKSA-N 445.007 4.526 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CCC)C1)c1ccccc1 1286679210 MBBPZDQIYAZYBJ-RPWUZVMVSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286703468 AYWVEGPOLQLFNE-GOSISDBHSA-N 440.979 4.594 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1288557903 GUWVGXURZMVNBW-UYAOXDASSA-N 435.597 4.620 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2N(C)CCCC2(C)C)cc1 1292503040 CYEOZMOKUAXCBM-NVQXNPDNSA-N 434.632 4.758 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccc(C)cc1)CC(F)(F)F 1293975209 MTMHBQQHSYZSIH-KRWDZBQOSA-N 448.913 4.964 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 1294985539 SXXWVLQHRSLOPG-CRAIPNDOSA-N 446.523 4.611 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1295134646 LJQXKEFEDCFIMH-WDSOQIARSA-N 438.490 4.764 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1300769665 HWVRNLRNWOMJAK-SGRGSNTQSA-N 438.641 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC1CC(OCC)C1 1300813395 IIQIGCMUTNOZLW-GMLYINLCSA-N 436.600 4.671 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1300938654 AVDBPTJEHLFUDU-OKILXGFUSA-N 437.407 4.623 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1301127144 IBXKFDMAMYRZCQ-HSZRJFAPSA-N 443.016 4.894 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C)C1 1301139552 RJAQVRCUURSTSY-RBUKOAKNSA-N 428.577 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301139988 YIBFLTLSKDXMKV-CVEARBPZSA-N 448.409 4.501 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)CCO[C@@H]1C1CC1 1301959121 CYXBYORXELVCQS-WTGRHJARSA-N 431.943 4.539 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2C)c2ccccc2Cl)c(C)c1 1309230060 CLHNURXSHCTCDL-QHCPKHFHSA-N 440.952 4.905 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(I)cc1F)c1ccc(Cl)cc1F 1310978078 HFVKDADAGQSDNQ-AWEZNQCLSA-N 446.622 4.719 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl)c1ccc(Br)cc1 1312528912 GPJYNWJKPFWIPP-AGRHKRQWSA-N 435.749 4.852 30 10 IJEE C=CCOCCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1312795050 KXDBBDGWOAKSME-GOSISDBHSA-N 433.549 4.528 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc(SCC)cc2)c(C(=O)OCC)c1C 1355007680 GSHOQEWJMDWBCA-UHFFFAOYSA-N 447.578 4.869 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 1357607318 ZFENRQZAWMXUBX-UHFFFAOYSA-N 433.460 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCN1CCC 1358899219 JIYHFUQBBFLRCC-SFTDATJTSA-N 425.646 4.601 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1358914123 JDLIVDYZQNVLGK-UHFFFAOYSA-N 427.596 4.934 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1358932952 CRWJZIRUAIQRLD-NRFANRHFSA-N 449.624 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(N(CC)CC)cc1 1359072373 ACZRCEXHJYMDGX-RUZDIDTESA-N 433.625 4.817 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)C1CCCCC1 1359116136 ZJWIFGAKLPZFIO-RUZDIDTESA-N 426.605 4.899 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C2CC2)C1 1359136165 BHRAZSIHJLATGX-OAQYLSRUSA-N 438.616 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccncc2Cl)CC1 1359161392 BGJBMBZRNLGCTL-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCc1nccnc1C 1359263789 MBVSCIHHBZATRN-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC(F)(F)CO1 1359275357 RRLDBASAJYEKNV-IBGZPJMESA-N 428.483 4.506 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359338813 IQKFFVGJIJNKPN-HNAYVOBHSA-N 436.984 4.662 30 10 IJEE CCc1ccc(Br)cc1C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 1360350801 AWOWCISEUVPZLW-QGZVFWFLSA-N 431.330 4.631 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ncc(C(F)(F)F)cc2Br)c(OC)c1 1436040273 PPJXPSAGKCJSEC-UHFFFAOYSA-N 445.235 4.618 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H](C)CCc2ccc(I)cc2)cc1 1436113626 PGVMPPPRRLPKQC-INIZCTEOSA-N 449.332 4.536 30 10 IJEE Cc1nsc(N2CCN(C(=O)c3ccc(-c4ccc(C(C)(C)C)cc4)o3)CC2)c1C#N 1436555458 BJSHDEPKPSEQKY-UHFFFAOYSA-N 434.565 4.843 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc1 1438264427 CGFXJTZTSKVVIV-KRWDZBQOSA-N 443.454 4.703 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)N1CCN(c2ccc(F)cc2)CC1 1443766894 FHEZCESMGWYWIM-IBGZPJMESA-N 444.510 4.639 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](F)C1 1452910592 JCDHXSSTUNQZDR-UUOWRZLLSA-N 436.527 4.820 30 10 IJEE C=C(C)Cn1c(Sc2nc3cc(Br)ccc3o2)nnc1-c1ccncc1 1458247240 VRRJNCLGTXIVJW-UHFFFAOYSA-N 428.315 4.971 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@H]1CSCCN1Cc1ccccc1 1458910831 CMOIKTJFOWLJGS-QFIPXVFZSA-N 443.572 4.698 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@]2(C)Cc2ccccc2F)n(Cc2ccco2)c1C 1460288274 AQGWVVKIJPXMLU-AREMUKBSSA-N 448.542 4.793 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)cc1OC 1462175085 IWQCXQLHAJCHJP-INIZCTEOSA-N 436.961 4.802 30 10 IJEE C=CC[S@](=O)(=NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 1463268700 AFFXGIPAKRWYJK-GDLZYMKVSA-N 429.929 4.952 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)cc1 1464228875 MDGLVUAGDJSWLR-UHFFFAOYSA-N 438.637 4.872 30 10 IJEE C[C@@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](c2cccc(C(F)(F)F)c2)O1 1466806040 GQAGXAFHIBUUBQ-BXKDBHETSA-N 430.839 4.681 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)N2CCC(c3ccc(C#N)cc3)CC2)c(Br)c1 1473836562 BXQJVHQAIZTEJR-MRXNPFEDSA-N 426.358 4.836 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NCc3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 1474109349 HMJDZZYEZFRNCC-VWLOTQADSA-N 429.495 4.562 30 10 IJEE C#CC[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 1477580540 VJUFTQQPCVUKGQ-SQJMNOBHSA-N 439.515 4.648 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1477675930 JZTYJZVZIBPVGC-RZUBCFFCSA-N 433.637 4.739 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 1478273588 ZHBDJIKLLPOOBW-RTWAWAEBSA-N 447.501 4.711 30 10 IJEE C[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cccc(C#N)c1)N(C)C 1493491759 FKWAPYNWPDFURO-MSOLQXFVSA-N 448.640 4.590 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)(F)F)C1 1493680579 DEXLNAZIFOIGFI-QGZVFWFLSA-N 448.537 4.716 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@H]2C)cc1OC 1501223488 ICCUFOURKSUSRS-QWFCFKBJSA-N 425.577 4.917 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC(F)(F)C1 1504884897 FRWAXBMKULIUMW-AWEZNQCLSA-N 441.885 4.539 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](C(=O)OC)C1 1507579045 JSYZLGUNZXWDAE-HNNXBMFYSA-N 442.972 4.616 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1507601465 FYXCKABXWUUFFH-JXQFQVJHSA-N 444.023 4.651 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1C(F)(F)C12CCC2 1507656515 XLUAWWYAOFCJEE-GOSISDBHSA-N 446.954 4.732 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCCS1 1507682465 PEXSSBICACKQQS-OAHLLOKOSA-N 437.382 4.592 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@@H](c1cccnc1)C(C)C 1507703380 VEDLHUHPYZGWDJ-XMMPIXPASA-N 431.559 4.844 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)Cc1cccs1 1507704458 CQSQPCLKOAVFQE-KRWDZBQOSA-N 428.989 4.625 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1507766851 ZQSWEOFZVWPRJK-HXUWFJFHSA-N 431.487 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)C[C@@H](C)CC 1507796220 OBIZYJBQXOKTJH-KPLVRAHFSA-N 426.561 4.527 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(COc3ccccc3)CC2)nnc1C(C)(C)C 1507811540 RZUIKQSSMMWSNF-FYYLOGMGSA-N 438.616 4.852 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1507881352 TVYDQGLNCGSCHX-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507891734 FRENOMKMJKETAD-NLFFAJNJSA-N 441.595 4.663 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C(F)(F)F)CC1 1507940323 YZTVINRLGJDPKH-UHFFFAOYSA-N 444.299 4.711 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(CC)C1)C1CC1 1507988806 WCXKDLKMMZJTQD-QZTJIDSGSA-N 429.996 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC[C@H]1CCO[C@@H](C)C1 1507999855 RFEAQSDPTRDCKJ-SFTDATJTSA-N 442.567 4.610 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N(C)C 1508007113 SDQLTGGRDXEDQK-SFHVURJKSA-N 448.596 4.804 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](C)(CC)C1 1508074369 RVWMOAQKGBEXHQ-QFIPXVFZSA-N 444.004 4.742 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)C[C@@H](C)c2nccs2)cc1 1508100425 JXMMTBSCZQOEFX-GOSISDBHSA-N 448.596 4.593 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1517113547 MWDIANRARHWQIR-NRFANRHFSA-N 442.478 4.889 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)C(C)(C)Cc2ccc(Br)c(C)c2)cc1 1517289537 NVELYSILLFKCAE-UHFFFAOYSA-N 429.358 4.881 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc3nccc(C(F)(F)F)n3n2)c1 1520377228 LDOSPFGDVYPVFP-UHFFFAOYSA-N 426.423 4.638 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1nn(-c2ccccc2Cl)cc1C 1523502216 HGADVIYVTYHUOP-UHFFFAOYSA-N 440.883 4.577 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCCOc1ccc(Cl)c(C)c1 1531613064 UPMYDMKWJNQSHF-UHFFFAOYSA-N 432.900 4.937 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(F)ccc2I)C(F)(F)F)cc1 1532569911 FZBAAFZRVFXXNR-OAHLLOKOSA-N 448.153 4.872 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(-c2ccccc2Cl)nn1 1536694131 FDGQVEOWPFIOMT-UHFFFAOYSA-N 449.711 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OCC(C)C 1539035428 PBYXRMOLKODZIK-KJXAQDMKSA-N 438.616 4.738 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1539059010 MMWSFTVFJDPJDU-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1539134338 TXWVWOHESBBVKN-OAQYLSRUSA-N 434.609 4.758 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCN(C)C1CCCCC1 1539385096 WUERSQTXJNYUAE-UHFFFAOYSA-N 449.574 4.890 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 1539857653 JJZNVKPVPVWQRK-JOCHJYFZSA-N 440.588 4.677 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1539940191 OMPJFOCCKCRHOH-DEOSSOPVSA-N 431.584 4.689 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C(C)C)CC1)C1CC1 1540109015 VJLRYZJINJXSLU-UHFFFAOYSA-N 443.636 4.984 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N\N=C/c3ccccc3O)N(Cc3ccco3)C2=O)cc1 1554646829 QEYGCXXBPHYFLB-DOSRWIIRSA-N 446.532 4.558 30 10 IJEE C=CCC1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCCCC1 1556622178 MRPDWYWEJAJCQV-KRWDZBQOSA-N 438.355 4.594 30 10 IJEE C=CCONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1556632830 GBIQEUJZGXUTDE-UHFFFAOYSA-N 435.336 4.567 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)cc1OC 1560422204 JGELURHUEMUESN-JSNMRZPZSA-N 426.395 4.952 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)NCC3(c4ccc(F)cc4)CCCCC3)CC2)cc1 1563761132 FEUCVADVDUMJQN-UHFFFAOYSA-N 448.586 4.817 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(F)c(Br)cc1F)c1ccc(Cl)cc1F 1565002849 OLTAILNFEWIFTQ-MRXNPFEDSA-N 431.639 4.694 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1 1565727523 GAOQTKYIMJHHOQ-UHFFFAOYSA-N 427.570 4.547 30 10 IJEE CC(C)COc1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)ccc1Br 1585606924 CCLYECAGHCTVOC-QGZVFWFLSA-N 426.314 4.677 30 10 IJEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H](C)C[C@H]1C 1586406491 AYRWZFQVMXVEJQ-XPGVTRPJSA-N 438.499 4.928 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 1587164211 HHRGOVZOYKEKCB-QGZVFWFLSA-N 444.329 4.568 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)ccc1OC 1587579493 HAYLAQNTNPVCEA-JKSUJKDBSA-N 438.572 4.785 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)cc1 1587715014 ZMVKGOUSFVNVAX-UHFFFAOYSA-N 431.275 4.502 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC(F)(F)C1 1588084704 VAZQSYZUXQXQQX-VQTJNVASSA-N 426.511 4.543 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1Br 1589006731 HTPOXDMIJDHWHX-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1589176860 ASLAKMLIRGIRSJ-WAIKUNEKSA-N 443.979 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCOC[C@@H]1C 1589625313 AWUJCRPTGOEFRM-FPOVZHCZSA-N 442.604 4.816 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1589721873 GOYBSLGVSJVVSS-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(F)(F)F)CC1 1593865200 CSXULMQFPMWLQX-UHFFFAOYSA-N 436.869 4.662 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H](C)c2ccccc2)CC1 1594430011 GKISGSAONGXZMO-LJQANCHMSA-N 449.624 4.866 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1594600452 VRBNQPVLGIBGKA-UHFFFAOYSA-N 446.452 4.812 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1594644361 AROVQOFELZLFCA-NRFANRHFSA-N 439.633 4.645 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)c1ccc(F)cc1 1595283463 QJKJSPQMIDXJSN-INIZCTEOSA-N 429.927 4.575 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1595896095 UUDYRRMPNOSWEC-OAQYLSRUSA-N 441.670 4.847 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C#N)cc1)c1cccnc1 1598271241 DQQAPPATQMCLHX-JOCHJYFZSA-N 425.540 4.616 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2CCc2ccccn2)c1C 1611822229 FPTUFESPSBGTNY-OAQYLSRUSA-N 444.583 4.803 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2ccccn2)CCS1 1614222417 BHZUJNOWXSARSQ-HXUWFJFHSA-N 432.597 4.521 30 10 IJEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@H]1CCCc2ccccc21 1617566205 HOJCFXUOVLXUFD-FQEVSTJZSA-N 440.996 4.793 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)c2cccc3cccnc23)cc1 1617610410 ICVFLVBGIDRQBC-UHFFFAOYSA-N 439.519 4.598 30 10 IJEE C/C(=C\C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(F)c1 1628763214 CQTQENKFJOPQAM-RXNMKEHESA-N 435.339 4.814 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 1633491890 BSNMQMXXVQBOCR-XMMPIXPASA-N 439.515 4.568 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccccc3Cl)C(C)C)ccc2c1=O 1633602947 HLIQRGFGQVTBEI-LJQANCHMSA-N 427.957 4.652 30 10 IJEE Cc1c(C(=O)NCc2cn3cc(Br)cc(C)c3n2)sc2ccc(C#N)cc12 1638235486 AQJOIFDXSMSCRG-UHFFFAOYSA-N 439.338 4.730 30 10 IJEE C#C[C@H](C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1639229271 BYNNIJNBZGQGIA-AVRWGWEMSA-N 430.548 4.612 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(F)ccc3N3CCC(C)CC3)n[nH]2)c1C 1639783039 UTZRFJLVLBACML-UHFFFAOYSA-N 436.535 4.704 30 10 IJEE C=CC[C@@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2OC)CCCC3)C1 1643960995 RWHNEKSSNJYTEV-QGZVFWFLSA-N 438.593 4.703 30 10 IJEE C#CCN(C(=O)c1cc(Cl)c2ccccc2c1O)C1CCN(C(=O)OC(C)(C)C)CC1 1651973052 BPQPTRGLYFSSPY-UHFFFAOYSA-N 442.943 4.674 30 10 IJEE C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)[C@@H]1CNC(=O)OC(C)(C)C 1655297531 WMUTUQPTJVZCDQ-IUODEOHRSA-N 426.330 4.589 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)s2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1655969937 LEPIHEOXRJDYEL-GFCCVEGCSA-N 446.619 4.909 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)cc2)nc1 1658735898 FZQIPMVRYKVWSE-HSZRJFAPSA-N 428.492 4.551 30 10 IJEE C=C(Br)CNC(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 1661039802 YTZSSICSHBPUEJ-UHFFFAOYSA-N 435.269 4.573 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccc3c2OCCCO3)cc1OCC 1661848529 RIARMYUJTZPQQO-UHFFFAOYSA-N 448.357 4.864 30 10 IJEE Cc1cccc(COc2ccc(CNS(=O)(=O)c3cc(C#N)ccc3Cl)cc2)c1 1662761227 FOIKHKGTDGTZHX-UHFFFAOYSA-N 426.925 4.578 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br 1663755769 PUKBLGNCJGCVHN-UHFFFAOYSA-N 444.778 4.878 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1)c1ccccc1 1670776045 XCECJJNCRNMIOH-SQJMNOBHSA-N 449.595 4.578 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 1673643077 BHDWIEHTHQVYIY-NSHDSACASA-N 432.311 4.668 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1)c1ccc(F)c(F)c1 1680280439 NLBIQPYZKFFCNP-USNOLKROSA-N 449.542 4.917 30 10 IJEE C#CCN(C(=O)N[C@H]1CCc2ccc(C(C)C)cc21)C1CCN(C(=O)OC(C)(C)C)CC1 1681676639 JYUNAVWZZWTJJQ-QHCPKHFHSA-N 439.600 4.842 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1CC(C)(C)C1 1690039595 LNWDMLBDJKMLGD-UHFFFAOYSA-N 434.584 4.642 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCOC1CCCC1 1690069848 YKBDEACCQXEYIS-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)CN1CCCC1 1690214713 STYDUGGKFZLXHK-PXDATVDWSA-N 437.657 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC1 1690252212 BDQUZDSXDJXGRX-YWZLYKJASA-N 437.371 4.745 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1690304636 JFIHRJPTLMUHNR-UYAOXDASSA-N 444.645 4.872 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cccc(C)n2)CC1 1690417379 PEPQDDMFYCTRKP-DHIUTWEWSA-N 437.632 4.935 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690419033 FOEARCPRDRGIKD-VQTJNVASSA-N 438.620 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1690433230 UJRNPKFCYAHXAP-FQEVSTJZSA-N 441.664 4.602 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C(C)C)CC1 1690454056 SNVQFMMRKRJDMY-UHFFFAOYSA-N 433.547 4.823 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@H]1C(C)C 1690580026 XVOZMUPRCKCQFV-REWPJTCUSA-N 437.613 4.579 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC2(CCOCC2)C1)C(C)C 1690581327 PFRSLDAWABPGJT-XMMPIXPASA-N 449.643 4.651 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1c(C)coc1C 1690603785 IBPDMSHPAVNDDD-UHFFFAOYSA-N 427.552 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1690706250 HAAHGTVHTVTHBK-CZTZKLFOSA-N 445.007 4.509 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CC(C)C)CC2)c1 1693030959 AKSNUINVAHIYTF-DEOSSOPVSA-N 425.552 4.742 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(F)F)C1 1705527459 YSQGIEQWXYQTMR-LBPRGKRZSA-N 429.334 4.664 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1705543877 WISDZCRMMJKTBW-HSZRJFAPSA-N 449.643 4.767 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC1(CC)CCCC1 1705575251 ZQQUODCPZZUJQL-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1705607812 RHRHUQNVFFAMEU-RXVVDRJESA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H](OC)C(CC)CC 1705669942 BVOPYKWDDPFKTM-XUZZJYLKSA-N 439.560 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CCc1nccc(C(F)(F)F)n1 1705713858 WHGDYOBQCQPMIO-UHFFFAOYSA-N 430.478 4.707 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1705772482 OKQRHQNEELQYTJ-HSZRJFAPSA-N 437.632 4.834 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705801094 SNYJBRYBLXFPIX-IBGZPJMESA-N 435.572 4.741 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1705807468 DMFJAFMUECUPLK-LJQANCHMSA-N 435.576 4.511 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO[C@H]1C(C)C 1705882373 VEJKLAQTFWIKNB-REWPJTCUSA-N 438.572 4.781 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1705889084 KETKCMBBKFLXQU-INIZCTEOSA-N 445.995 4.914 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)Cc2ccc(OC)cc2)C1 1705919804 KZKSCUIKWVSIDV-GCJKJVERSA-N 436.556 4.515 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2oc(CC)nc2C)C1 1705920159 RMCTUNMKYYTTIA-NRFANRHFSA-N 449.599 4.931 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705948586 YAACAZAOZIDTAE-OAQYLSRUSA-N 439.629 4.521 30 10 IJEE CC(C)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C#N)c1cccnc1 1706077202 GVWIHWDPDMOAME-XXBNENTESA-N 441.583 4.781 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@@H]1C 1706560206 ATUGOTBSUJWBNM-MHECFPHRSA-N 435.597 4.844 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722326228 FXUREOZDZWYPTA-VQTJNVASSA-N 430.980 4.660 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1nnc(C(C)(C)C)s1 1722470745 XEXOUQSUZRROQC-XMMPIXPASA-N 434.613 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1722501517 GBJCUPICULPPFC-KCESLBEFSA-N 428.552 4.602 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1722505342 JYUVTVPZUWKPCK-RBBKRZOGSA-N 439.560 4.850 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1 1722526231 RXOKXNVKAZXPIF-FQEVSTJZSA-N 441.576 4.571 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]1CC 1722529900 HHOAUJAVNYCCBQ-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCCOC)C1 1722546961 FKZCQJCHAMFFRL-HNNXBMFYSA-N 445.778 4.636 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1722575931 CDMURDDOWANXPK-SFHVURJKSA-N 447.583 4.826 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1722624203 WOGWBZKLRUBTOO-QHCPKHFHSA-N 436.556 4.580 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722655302 BATMFQMSMYGIKK-IBGZPJMESA-N 427.593 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCN(C(C)=O)C1 1722667537 FAQDZJAAPIJDDC-KRWDZBQOSA-N 448.398 4.689 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1722737989 YMPRXCZMAYSHIB-UHFFFAOYSA-N 433.581 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)C1CCCCC1 1740537060 AJDGZOXVFQFBCX-HXUWFJFHSA-N 430.600 4.524 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1740569224 FRGZGVJKJHRHEE-DHLKQENFSA-N 442.611 4.633 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCOC2(CCCCCC2)C1 1740579148 IILOBXUZXXULSH-UHFFFAOYSA-N 440.563 4.729 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cc(Cl)ccn1 1740584443 LHIJTJDTVMELAE-UHFFFAOYSA-N 430.339 4.705 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740594162 CYNMYXDHNUQHAL-SIKLNZKXSA-N 431.411 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1csc(-c2ccco2)n1 1740649047 XENAPMWYDDMUFZ-UHFFFAOYSA-N 447.951 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccccc1OC1CCCC1 1740656670 QABLIAKTKFEWJS-UHFFFAOYSA-N 430.596 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC1(Cc2ccc(F)cc2)CC1 1740657204 VMFFDHDMRPCBEZ-UHFFFAOYSA-N 432.568 4.555 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCC1(COC)CCCC1 1740676875 ATQFVLLKAKQEME-UHFFFAOYSA-N 449.574 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)OCC 1740726757 NFJGVVVXTRBZBM-JOCHJYFZSA-N 445.405 4.823 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740786120 QPZNDNZZMSVCLB-AQNXPRMDSA-N 429.609 4.943 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)C(C)C 1740788359 TYEYFDWSXJOUTR-UHFFFAOYSA-N 437.382 4.544 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccsc2)CC1 1740824985 HBAKYLQKWIHUNZ-IBGZPJMESA-N 443.617 4.659 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)C2CCCCC2)CC1 1740839899 QCANOBIBNZFWKQ-RUZDIDTESA-N 444.570 4.881 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C 1740855491 HXASIHLOQSQUPL-LJQANCHMSA-N 429.996 4.696 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1740856440 STNZDEOROYKRHK-HSZRJFAPSA-N 445.611 4.877 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](CC(C)C)N(C)C)C1CC1 1740905619 CNPKAZXZQNNLGW-HXUWFJFHSA-N 446.437 4.839 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@]1(C)CCCS1 1740915224 YQNSSRREJKXUHY-DEOSSOPVSA-N 430.581 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1740921757 HLSDTJKXXNOZQC-QGZVFWFLSA-N 445.633 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCc1nnc(C)s1 1740922932 XICORURHZKZGEL-UHFFFAOYSA-N 426.571 4.503 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCCS2)C1 1740984516 CYAYQAVLEQRQRR-PZJWPPBQSA-N 444.670 4.946 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](COC)C1 1740997797 CLCCCYKXTPHYDE-CQSZACIVSA-N 427.401 4.644 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)C1(C)C 1746923978 IERRXKLWBFESNV-SESVDKBCSA-N 439.629 4.600 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H]2CCCC2(C)C)c1 1748692894 RHHXAUYBBQSKNU-OAQYLSRUSA-N 433.600 4.818 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)OC(C)(C)C1 1748703363 ZGDCDGRENJGNKL-CQSZACIVSA-N 437.407 4.576 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1748706526 LQDDQERZUNNOLV-QHCPKHFHSA-N 449.643 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1cccc(OC)c1 1749071868 VJVPZJPWYMFRER-RUZDIDTESA-N 449.624 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)S[C@H](C)C1 1749126032 ZQKYBIYLARPYFL-YZLZLFLDSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1749131020 PLTHKJINTTXITH-NWSQWKLXSA-N 442.579 4.565 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCC1CCOCC1 1749414175 ADFANKPENNJGSA-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCNC(=O)C(C)(C)C 1749467618 VGTKNGDIKYSGJL-UHFFFAOYSA-N 431.993 4.598 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1c(CC)nn(C)c1CC)C1CC1 1749521056 GJRKKSNYLXRJKE-UHFFFAOYSA-N 439.007 4.584 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@@H](c1cccs1)N1CCCC1 1749528534 TXLWIIZHKFSNGG-QFIPXVFZSA-N 437.613 4.686 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1C[C@]1(O)CCCC1(C)C 1749528713 YVHDZZAPFYLECG-UQBPGWFLSA-N 426.605 4.934 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN1CCCC[C@@H]1CC 1749538547 XAASYYTZKMPTNY-ZEQRLZLVSA-N 437.632 4.629 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@H](OC)C(F)(F)F 1760104301 WDNHXTVXLQIZSD-QWQRMKEZSA-N 440.535 4.557 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCSc1ccccc1 1760226623 WLFWDPMWBJHHSN-UHFFFAOYSA-N 444.402 4.678 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C2CC2)C1 1760301655 GQNOEIOJECXJEK-HNNXBMFYSA-N 439.304 4.691 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(OCC2CC2)CC1 1760343160 BWLBEGUZENDSSG-UHFFFAOYSA-N 445.405 4.988 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccco1 1760350237 AIMXGUOPAVKSPP-KRWDZBQOSA-N 446.349 4.563 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)C2CCCCC2)CC1 1760383880 BQLFYNUJYNCSJC-OAQYLSRUSA-N 448.409 4.523 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCN(C)CCCC)CC1 1760398088 LHSWCUUYHQWNGX-UHFFFAOYSA-N 432.616 4.936 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760421786 ATXPWEGVULJXSR-HXUWFJFHSA-N 427.980 4.546 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1760475688 QOSBBLXOJYIBBS-FDDCHVKYSA-N 442.579 4.992 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC1CC(F)(F)C1 1760477992 QWNIANQRYMAHBE-UHFFFAOYSA-N 439.510 4.895 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2CCCCO2)C1 1760537910 SZAFZVSHXDVVRT-SFTDATJTSA-N 430.980 4.729 30 10 IJEE CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1761299302 ARSLTEVUUYOZFJ-GOSISDBHSA-N 429.515 4.646 30 10 IJEE CCCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1763909520 AORWLHAYQRWQQB-HXUWFJFHSA-N 432.341 4.730 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C#N)CC1)C(C)C 1769679871 CWADDODPFPJSFS-QFIPXVFZSA-N 439.604 4.566 30 10 IJEE CC(=O)OCCn1nc(C(=O)Nc2ccccc2C#N)cc1-c1ccc(Cl)c(Cl)c1 1859390014 FJOOYZCQPYRJJM-UHFFFAOYSA-N 443.290 4.544 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)/C=C/c1cc(OC)ccc1OC 1861728582 BZODMGYMANSAAO-SAPNQHFASA-N 432.605 4.869 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1O 1862436089 LFPJGAODSREOEY-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)cc1 1862543673 MANOIUYJMRTJEZ-XMMPIXPASA-N 433.548 4.877 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 1862556768 DQCWTUCIQGWRFE-JOCHJYFZSA-N 448.906 4.580 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862586960 GIUQVIYLIIVVFP-FQEVSTJZSA-N 445.346 4.974 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1CCCc1ccccc1 1862589130 FLJXQTWZUNMCLV-DEOSSOPVSA-N 427.500 4.912 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862596397 MXBRPWAOSRQMCZ-XMMPIXPASA-N 443.499 4.960 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCOC)c1 1862619248 QUMZMXNCOUJDGE-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1C(=O)O 1862714534 KYZNUXURAXWTFY-OYHNWAKOSA-N 429.472 4.915 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1C(=O)O 1862714911 PCLDLLFHTSGZPQ-QFIPXVFZSA-N 429.472 4.772 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccc(C)c2)c1 1862746451 GFWUIKDGEGBNRA-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)c(C)c3)C2=O)cc1 1862871721 CJJSFRIGXCWRAK-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3ccco3)C2=O)cc1 1863388915 YIYINRDKWSZSEF-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3cccs3)C2=O)ccc1F 1863469266 AYORFTIEZQXZDM-UHFFFAOYSA-N 431.492 4.502 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863492020 SRJLLTYDPIOGFU-UHFFFAOYSA-N 440.547 4.782 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cc1 1867185488 VWZDNHBCARZDHV-FOIQADDNSA-N 429.973 4.582 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870162470 UXTWSDRZKMUMMW-CABCVRRESA-N 431.805 4.553 30 10 IJEE CCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(Br)c1)C2=O 1871418591 BBCMRYHPBXUPMV-WQRHYEAKSA-N 431.282 4.706 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871825879 XKLITTPECXMFFC-HXUWFJFHSA-N 428.598 4.939 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871990077 ULQGEPVOROBSGV-GCJKJVERSA-N 432.561 4.754 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872427372 JABKDWRDLRCEQL-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)CCCC 1872533981 PXXZHVQQAFVUJD-QHCPKHFHSA-N 428.598 4.991 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)cc(F)c2)C1=O 1873316475 GASFCSYPBGVDJP-OAHLLOKOSA-N 429.426 4.790 30 10 IJEE COc1ccc(-c2nc(C3=C(N)N(CCC4=CCCCC4)CC3=O)sc2C)c(OC)c1 1873528457 YYZVILHTQCQHHK-UHFFFAOYSA-N 439.581 4.538 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCCCCC1)n2Cc1ccccc1 1873555145 MQPANSNQKPIPHS-UHFFFAOYSA-N 429.568 4.674 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1OC 1874209880 WBSNMEHDMICGKE-HYARGMPZSA-N 443.370 4.800 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccn1 1874214005 QPPFLMYACJHFBO-ZVHZXABRSA-N 427.961 4.889 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874267492 ACBUMPGKFAXROR-YDZHTSKRSA-N 444.944 4.688 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874267909 VZZOJSDDZYZVMP-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccn1 1874296145 MKLOCAXYQHPMET-MFKUBSTISA-N 444.520 4.655 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2[C@@H]2CCCO2)cc1 1874453585 MYAMXPCWBYQHPH-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE CC(C)(C)c1nnc(SCc2ccccc2F)n1/N=C/c1ccc2c(c1)OCCO2 1874484125 GRDRRPXZBWRJNK-ZMOGYAJESA-N 426.517 4.660 30 10 IJEE CCCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc(OC)cc1 1874568700 MUBJVZKJIIAOTB-JJIBRWJFSA-N 440.569 4.648 30 10 IJEE NC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 1874569662 CDTMGNYNJOQEIR-ZRDIBKRKSA-N 436.305 4.876 30 10 IJEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Br)c1 1874575737 FAWMMVGHZBRSKF-SOFGYWHQSA-N 436.733 4.904 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCCO)c2)cc1OCCC 1874594518 ORAKPVOZHOXLJK-JXMROGBWSA-N 428.525 4.930 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1875087847 GMCQFWIZIUKEGD-VQHVLOKHSA-N 436.351 4.757 30 10 IJEE C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1 1890110337 IPEZHUMQLJIALS-QGZVFWFLSA-N 434.565 4.629 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1937854663 MXQYYQUXKNSFQF-ZFWWWQNUSA-N 446.183 4.518 30 10 IJEE Cc1cc(C#N)nc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1959290006 MXXZKEVISVQLHH-UHFFFAOYSA-N 428.492 4.534 30 10 IJEE CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(C#N)c1 1962825478 QAGMDAQEHGBRIU-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 1964760497 FDHZDXZHFMTGFY-HNNXBMFYSA-N 436.350 4.542 30 10 IJEE C#CCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CCC1 1984778120 BTBXWTKZODIYHE-NIYFSFCBSA-N 444.575 4.954 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C(C(=O)C(=O)O)c1ccc2ccccc2n1 2040456865 GHNCPHZQIWVXTQ-UHFFFAOYSA-N 435.842 4.716 30 10 IJEE CC[C@H](c1ccc(C)c(F)c1F)n1nc(C2(C)CC2)c(C#N)c1I 2079926310 ZUFDOBHWZUQLND-CYBMUJFWSA-N 441.263 4.997 30 10 IJEE CCCc1ccc([C@@H](CC)n2nc(CC)c(C=NO)c2I)cc1 2080037368 ZKUDIYQDMKSURB-QGZVFWFLSA-N 425.314 4.810 30 10 IJEE N#Cc1ccc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(F)c1Br 2148945238 FBHTXLHIAKWEAO-MJGOQNOKSA-N 428.349 4.808 30 10 IJEE C[C@H]1CCCN(c2cc(Br)c(C#N)cc2F)[C@@H]1CCNC(=O)OC(C)(C)C 2174765958 RXFKWIFKKNDRKK-SUMWQHHRSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)NCC1(CC(=O)Nc2ccc(Br)cc2C#N)CCCC1 2181105010 GSTOEQBGJMKNEK-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE N#C[C@@H]1CN(Cc2c(Br)sc3ccccc23)CCN1Cc1ccccc1 2224701036 VIXLRYYUWPQWJG-QGZVFWFLSA-N 426.383 4.874 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1OC 2231186614 OBCKTADXCRMYBV-FUHWJXTLSA-N 427.383 4.968 30 10 IJEE CCCc1ccc(C#CC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2231232303 JXPBRWXDEZYVPF-MUUNZHRXSA-N 446.591 4.729 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2235729989 OCIZYVLIWNXKNP-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H]1[C@H](C)NC(=O)OC(C)(C)C 2235734955 YFQRRZCTQMBVDR-ZCDKGFTFSA-N 435.406 4.718 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 2235745628 DPRXQOOYGBGCGL-QRVBRYPASA-N 435.406 4.718 30 10 IJEE CCN[C@@H](C#CC1CCCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2251407293 MMAMRPSIJDOENH-DEOSSOPVSA-N 427.633 4.575 30 10 IJEE CN[C@@H](C#CC1CCCCC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2260978617 JSSQUACANSKHAO-DEOSSOPVSA-N 439.644 4.718 30 10 IJEE CCCN[C@H](C#CC1CCCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2260981183 NDTLBJMLRVLNJA-RUZDIDTESA-N 441.660 4.965 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@@H](O)CC#CC2CCCC2)CCN(Cc2ccccc2)CC1 2261146500 RUUHQUXPHRZLIT-DEOSSOPVSA-N 440.628 4.881 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2261821637 WLFYILKYKBVEEK-CJFMBICVSA-N 447.572 4.560 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274206707 JADSUOZJILKAPM-INIZCTEOSA-N 426.330 4.542 30 10 IJEE CC(C)[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cc2C#N)CCN1C(=O)OC(C)(C)C 2279332263 XEQZMQMUWQVNLF-DOTOQJQBSA-N 436.350 4.541 30 10 IJEE C=CC[C@@]1(COc2ncc(N)c(C)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2287853020 SAPOYSFUACXFQK-HXUWFJFHSA-N 440.382 4.707 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 2296145072 PKSBZBUTDFOLCF-QHCPKHFHSA-N 446.478 4.630 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)C#Cc2cccc(Br)c2)C12CCCC2 2296218922 JLEVFHVLHKBABH-OALUTQOASA-N 434.374 4.731 30 10 IJEE O=C(C#Cc1cccc(Br)c1)[C@@H](O)c1cc(Br)c(Cl)s1 2296232110 KORIHMUDWTZSPU-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)F 2296272592 LKGBXKBJNFPGMU-ROUUACIJSA-N 441.385 4.810 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)C#Cc2ccc(Br)cc2)C1 2296275297 YVASOTIWIXSWKV-VGOFRKELSA-N 432.358 4.797 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCC1(C)CN(C(=O)OC(C)(C)C)C1 2296300180 DVHMDUZZONBTQQ-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cccc(Cl)c1 2320933884 OIUPDOVDJANWSG-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1OC)C3=O 2322145482 RJXSZJGMGDNQQJ-UHFFFAOYSA-N 437.536 4.979 30 10 IJEE Sc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Br)cc1 2322183821 XRIOBVVMYXVEGJ-UHFFFAOYSA-N 431.403 4.970 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1OC 2323096925 LIKXOWWZSZWWON-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE COC(=O)COc1c(Br)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2323791870 VACSFZYXYRQITK-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)c(OC)c1 2324762455 YNKGZQBPSCHDOP-GOSISDBHSA-N 435.461 4.625 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc3c(c1)OCO3)C2=O 2325713943 ONGBLFNMUDTARU-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4OC)cc(C)c3C2=O)cc1 2325736112 WXZIOWUQZMXCOO-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccn1C 2326015073 GEABHOZTAJQISD-UHFFFAOYSA-N 429.977 4.832 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(Br)c1 2326674288 DWIOUWWQZCWVKE-UHFFFAOYSA-N 426.343 4.649 30 10 IJEE CCCOc1ccc(C=Nn2c(COc3ccccc3OCC)nnc2SC)cc1 2326796622 KZNVMWGMWUGMJQ-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1N=Cc1ccco1 2328232836 OSDRSGZRIJLHSD-UHFFFAOYSA-N 434.521 4.942 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc(O)cc2)cc1 2329256819 VWCMVBMASKHEIY-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)NC3CCCCC3)n2N=Cc2ccccc2)cc1 2330007528 KGPAOEXWQDJNPH-UHFFFAOYSA-N 447.608 4.601 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCCO)nnc2-c2cccs2)cc1 2330599978 MVQUPGSJFIRGRB-UHFFFAOYSA-N 430.599 4.932 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccc(O)c2)cc1 2330647969 SYTUCUUBNKNZOG-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1C(F)(F)F 2331122963 KNEDZQPKTYAVLF-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CCCSC 2331556509 SEGVILPOTJZSMD-UHFFFAOYSA-N 436.476 4.927 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1c[nH]c2ccccc12 2331635311 IFNOCBSKGFWCKN-UHFFFAOYSA-N 446.580 4.887 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cn(C)c2ccccc12 2331636648 FSRVAXPBBLUBBE-UHFFFAOYSA-N 446.580 4.644 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OC(=O)COC 2331877315 PVJJOFUAHGBWHH-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339534138 BHWLWEIKIRNMFX-MOPGFXCFSA-N 443.397 4.832 30 10 IJEE CCc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 3042774 DIKNTNVPXPLHNH-NFFVHWSESA-N 446.551 4.934 30 10 IJEE Cc1ccc(C(=O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22691158 IDDYQBOMHPXVNX-XMMPIXPASA-O 445.608 4.581 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(F)c2)c1C 32973406 QKTJVJWOFTZBMP-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE C=CCc1ccc(OCCn2c(CCCNC(=O)CCC)nc3ccccc32)c(OC)c1 40204469 YIYGOEHHYBYRLO-UHFFFAOYSA-N 435.568 4.701 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(Cc1ccccc1)CO2 41588840 PZFBXGGSMJXCTQ-RMORIDSASA-N 427.456 4.692 30 10 IJEE COc1ccccc1/C=N\N=C1\S/C(=C\c2ccccc2F)C(=O)N1Cc1ccco1 47138463 XVVAIOGFRRUUQI-ZJHZAIRNSA-N 435.480 4.934 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(OC)c1 59263836 PTXPFLKZMCCMOO-UHFFFAOYSA-N 442.972 4.642 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 102505014 ATSIYHMOLFCLTI-SADKCHQCSA-N 432.407 4.669 30 10 IJEE CCCOc1ccc(N2C(=O)C[C@H](S/C(=N/c3cccc(Cl)c3)NCC)C2=O)cc1 105535893 ZTMVHHKDZZOELS-IBGZPJMESA-N 445.972 4.791 30 10 IJEE C#CCOc1ccc(CCNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 109731080 VNVVNHZPFHZPTE-UHFFFAOYSA-N 429.303 4.941 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1cccc(F)c1 169940088 PGONQRKYKZMMJT-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(O)cc2)cc1 169959331 GRROVEAZHYBTJX-JOCHJYFZSA-N 444.443 4.646 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1 169963876 DNALQCCQECAXLT-HSZRJFAPSA-N 435.426 4.772 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970991 KRTDZYBBUPGAHM-QHCPKHFHSA-N 443.455 4.521 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)c1 169996480 LCCDVYFFIJKUIL-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccnc2)c1 170001239 UVNDDSCTLXWUPD-QHCPKHFHSA-N 427.504 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1)c1cccc(Cl)c1 170050019 GCEHJGLWHLRQNH-NRFANRHFSA-N 433.847 4.852 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccc(Cl)cc1 170057155 DLZJNFGTGZTOPX-NRFANRHFSA-N 443.927 4.660 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)ccc1F 170058344 MVPOZYXTYSHDHN-PXNSSMCTSA-N 429.875 4.545 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(F)cc2)cc1 170062137 YTCWPNLCQCTIMA-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 170065722 XNIPICYVAWYFSQ-FQEVSTJZSA-N 431.398 4.624 30 10 IJEE Cc1ccc(C2=C(N3CCc4ccccc4C3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170097908 PJJFFTXEFMVYTD-UHFFFAOYSA-N 433.511 4.518 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)c(OC)c1 170139054 YCOZQYLFPRRJMX-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccs2)c1 170153957 HKKXTFLKWDPVKP-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccn1 170180625 BUHKHCXBKDYDGP-IBGZPJMESA-N 433.533 4.892 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(OCC(C)C)c1 170219014 OYMRBOUUCNYXFG-NRFANRHFSA-N 438.480 4.618 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c1 170231036 VHYPZPGDZMGMSS-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1C 170234380 GOVMFTLXUUINGI-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(F)cc1 170242637 HSIWVZGPJSRUCF-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246526 DIGNHCJJFRXRBX-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170250635 XQVWTXNRLPSQDM-JOCHJYFZSA-N 433.435 4.522 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)ccc1Cl 170289612 DXHGVTPRIIFWPH-HXUWFJFHSA-N 434.835 4.596 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc12)c1ccco1 170423393 UTMFKDPDZVMBTA-QFIPXVFZSA-N 430.435 4.721 30 10 IJEE C=C(C)Cn1c(SC[C@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1ccncc1 443417610 WWGXXDDJHPFBSG-QGZVFWFLSA-N 434.487 4.631 30 10 IJEE N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1cccc(Br)c1 496308175 VSBDJSLQYCZNLT-JYJNAYRXSA-N 439.231 4.832 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 508746517 KPXZNTGSNAEGFQ-IATMXGELSA-N 448.567 4.532 30 10 IJEE CCOc1ccc(C2=CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)cc1 509461874 FURWXWJTPRHKTN-FQEVSTJZSA-N 433.552 4.518 30 10 IJEE COc1cccc([C@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526520625 IFUGVFWYASHMPO-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1OC 526520809 KLRMEFZQMSBMFY-JOCHJYFZSA-N 430.435 4.772 30 10 IJEE COc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2cccc(C#N)c2)C1=O 526636510 SPFPVEDOLKUSAV-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE CCN1C(=O)CCc2cc(NC(=O)c3cccc(COc4ccccc4C#N)c3)ccc21 546109200 YLQIXKWRCPJOOQ-UHFFFAOYSA-N 425.488 4.689 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@]2(CCCOC2)C1 549636530 AZFLXCUQGVJLOV-OAQYLSRUSA-N 449.368 4.820 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)c1 586003949 FBAZZHISUWCZIT-HXUWFJFHSA-N 441.522 4.837 30 10 IJEE C=CCCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Br)cc1 586208415 BGSKXDHJBAXFKM-UHFFFAOYSA-N 445.176 4.983 30 10 IJEE N#Cc1cccc(CN(c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2cccs2)c1 586222420 ZDZKJUHROKKENH-UHFFFAOYSA-N 438.452 4.914 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(OCC2CCCC2)CC1 670216110 NWJVRWBYCZWYBM-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCc1cc(Cl)ccc1OCC#N)O[C@@H](C)C2 735349034 FCPIUHHEYPDANA-DCPHZVHLSA-N 441.911 4.811 30 10 IJEE CC(C)(CNC(=O)NCc1ccc(C#N)cc1F)Sc1ccc(Br)cc1 743677524 ANHXUHUMPFWEHD-UHFFFAOYSA-N 436.350 4.830 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 780054721 FIFCBECOWJHNDZ-AFMDSPMNSA-N 449.510 4.975 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 790649708 GRBNRBYDSNBNQC-INIZCTEOSA-N 444.416 4.676 30 10 IJEE COc1ccc(OC(=O)CSc2n[nH]c(NN=C(C)c3ccc4ccccc4c3)n2)cc1 1084625394 ZAVDORHKKHKUMC-UHFFFAOYSA-N 447.520 4.500 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1csc(Cl)n1)c1ccc2c(c1)OCCO2 1124426118 UDNLSMOERLDBSA-UHFFFAOYSA-N 442.924 4.980 30 10 IJEE COc1cc(Br)c(Cl)cc1C(=O)Nc1nc(C)c(SCC#N)s1 1125177496 BUZHOGKBIGTPHW-UHFFFAOYSA-N 432.752 4.744 30 10 IJEE C#CCN(C(=O)CCc1cccc(OC)c1F)[C@H]1CCOc2ccc(Br)cc21 1126150600 AVIIKKSGCXYMMV-SFHVURJKSA-N 446.316 4.515 30 10 IJEE C=CCC1(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CCCCC1 1128926655 RFJYMERZARJYSP-OBGWFSINSA-N 432.586 4.812 30 10 IJEE C#CCC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC=C)CCCCC1 1134293353 MWUKQOFAVUGPMR-UHFFFAOYSA-N 428.989 4.719 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](C)c1ccc(Br)cc1 1157524524 PDSMCBQSFVIKRE-INIZCTEOSA-N 440.341 4.733 30 10 IJEE C=C1CC(C)(C(=O)N2CCC(c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)CC2)C1 1161474285 LZUAJLZRFYKZDP-UHFFFAOYSA-N 442.604 4.587 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H](c2ccccc2OC)CC1 1175381310 MAJGJTAZINYUJM-FQEVSTJZSA-N 431.536 4.856 30 10 IJEE C=CCc1ccccc1OS(=O)(=O)c1scc(Br)c1Br 1184545533 UJIFGOSDTCMILZ-UHFFFAOYSA-N 438.162 4.769 30 10 IJEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1nc2c(c(C#N)c1C#N)CCCCCC2 1187903355 GIPIPBMXSKLQFV-UHFFFAOYSA-N 437.588 4.567 30 10 IJEE N#Cc1sc(NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)nc1Cl 1206135879 BQQRFMOCAFBBBN-UHFFFAOYSA-N 429.702 4.766 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)[C@H]1CCCO1 1226734700 LCGOQOCGOGBPFS-PZJWPPBQSA-N 434.870 4.733 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)CCCC1 1230925353 BMIRQAGXHXCWJL-NRFANRHFSA-N 429.580 4.780 30 10 IJEE COc1ccc(Br)cc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1265348878 BYMMBDQQRSWJHN-UHFFFAOYSA-N 427.323 4.988 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C 1270160819 GQBXXJIONUSEND-XMMPIXPASA-N 431.584 4.961 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1286452191 DOUHGMNEKLXVFZ-QFIPXVFZSA-N 449.624 4.768 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCCSC 1286518499 GBIIFSABRJAMLX-WZONZLPQSA-N 428.602 4.562 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)C1CCCC1 1286549575 ALLZVKKMWNWUBH-WZONZLPQSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1OC 1286583142 JNBLQPQTUAVMIB-SLFFLAALSA-N 447.624 4.568 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC2CCC(OC)CC2)CC1 1286648936 NRZKWIVTBHSYGP-UHFFFAOYSA-N 438.616 4.824 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ccc(CC)s1 1286730076 ASHYXHGHKXAMIK-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@@H](C)C1 1286738848 GETBCJNNXLRGSW-FPOVZHCZSA-N 436.556 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](C)Oc1ccc(C)cc1 1286748129 PVGCRXFFODSHNI-IBGZPJMESA-N 446.580 4.765 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1286769158 NVEFMKNQCCDRMW-XUTJKUGGSA-N 426.561 4.827 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](SC)C(C)(C)C)C1 1286805834 UZPFKKWUJBXOBV-VQTJNVASSA-N 430.618 4.513 30 10 IJEE Cc1nnsc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 1289238933 COESDQVEBDTRJV-UHFFFAOYSA-N 448.383 4.590 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCC1 1300603005 WHFCTZMUKZKFKJ-HXUWFJFHSA-N 444.023 4.634 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(C)cc1 1300656228 BRPWLHAXAYKANF-FQEVSTJZSA-N 448.636 4.769 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1300742232 BILCLUGBCYTSLY-SFTDATJTSA-N 428.671 4.984 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCC(C)C 1300893004 XLKYCNITNZPGHP-QPPBQGQZSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(F)cc1C(F)(F)F 1300919124 WBMASZBAYOKDCC-UHFFFAOYSA-N 433.453 4.873 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cn2ccsc2n1 1300924459 BSFIQEVTYWDQEZ-UHFFFAOYSA-N 436.585 4.634 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCC2CCC(OC)CC2)CC1 1301130253 UITYJVKINHAUDL-UHFFFAOYSA-N 438.616 4.897 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)c1nccs1 1301178476 MPQRCSYMVKGYML-KRWDZBQOSA-N 439.585 4.769 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1cccs1 1301218442 PBSBNLWSBIWXKK-UHFFFAOYSA-N 448.596 4.900 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(Cl)c1C 1301270083 BZGFSJFMTZKSGW-UHFFFAOYSA-N 434.769 4.678 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)nc2sccc2c1=O 1307263992 MJEDQBAWCHVILC-CQSZACIVSA-N 441.361 4.957 30 10 IJEE CO[C@H](C)c1nc(COc2c(Br)cc(Br)cc2C#N)cs1 1307403287 APAIFZAPSHCGFG-MRVPVSSYSA-N 432.137 4.826 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](C)C1 1314219260 COCZMCZNLSTEIG-PZJWPPBQSA-N 437.588 4.822 30 10 IJEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)c2C#N)C1 1347983247 CQWLSEOFLFXZHJ-MRXNPFEDSA-N 441.572 4.999 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 1353602236 FJUSUXZHBQCIMJ-HSZRJFAPSA-N 442.987 4.965 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 1353623224 GFFOEYLYYWCGJO-UHFFFAOYSA-N 437.887 4.997 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@@H]1CCO[C@@H](C)C1 1358951836 NSRVQYAJHPPOLR-VQTJNVASSA-N 445.007 4.526 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1ccsc1)N(C)C 1358988062 BBKGTBBYLGBWFE-OAQYLSRUSA-N 443.576 4.519 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCCC1(F)F 1359019257 OUUTXVUXJRNLGK-LEWJYISDSA-N 430.543 4.732 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCC1(C)C 1359022130 OFPVIFXLNGBMKN-KRWDZBQOSA-N 445.405 4.620 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OCCC)CC1 1359050344 OEJQTJKPMFSKTG-HXUWFJFHSA-N 433.021 4.750 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCO1 1359079670 RPCKFWMHMCFYQQ-GOSISDBHSA-N 433.394 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=O)NCCC 1359108936 JCWFQFHCEPKVAX-UHFFFAOYSA-N 441.576 4.741 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ncc(Cl)n1C 1359117614 KDUKPXLRZPBMTH-UHFFFAOYSA-N 449.990 4.952 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1359167294 AYDNZCFFTSLFET-RUZDIDTESA-N 435.660 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](CC)C1 1359186072 SZYSBINBZSBVOR-GOSISDBHSA-N 428.602 4.650 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1359214052 QFKMKHWRMPVCBO-QFIPXVFZSA-N 430.600 4.716 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCc2ccccc21 1359229404 IOVOJFJPKVKPAL-XPWALMASSA-N 438.616 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[C@@H]1C 1359262013 DNDDBBZWPMALMO-UONOGXRCSA-N 432.391 4.946 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC2(CCCC2)C1)C(C)C 1359265448 GDIIFLPKNHENJQ-HSZRJFAPSA-N 436.648 4.753 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 1450598868 NWBZJZUOWNBRKF-OAQYLSRUSA-N 440.588 4.594 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 1456028122 OINQCQXNQODXBP-INIZCTEOSA-N 442.343 4.663 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](c3ccc(F)cc3)CC2)n(Cc2ccco2)c1C 1459812235 CSRQWBMTSNIYHS-HXUWFJFHSA-N 448.542 4.965 30 10 IJEE CC(C)[C@](C)(N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 1459948031 DXRXJVNPBUOXKK-GGAORHGYSA-N 440.385 4.977 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Br)cc1 1465340444 MLXYPOYMWFLDSI-LJQANCHMSA-N 442.357 4.604 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1 1465381672 RVIWFDKBTBSBGK-DHLKQENFSA-N 448.494 4.963 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1467563487 ADJAZHFSLDSSKC-OAQYLSRUSA-N 428.598 4.547 30 10 IJEE C#CC[C@H]1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1470368433 LUGGKIRIGFKXIO-QFBILLFUSA-N 427.545 4.691 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C 1471528997 JEWIJGRZVRBMPZ-HXUWFJFHSA-N 431.577 4.573 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@](C)(O)c1cccs1 1496396733 ICXFECQHROBICC-BWKNWUBXSA-N 449.624 4.919 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)CC1 1507555700 AVVFPAXGZNXSQB-LJQANCHMSA-N 442.007 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N(CC)CC 1507763401 BWOOQEGSXOOHSJ-UNIVCBNLSA-N 437.632 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCc1ccc(Br)s1 1507771839 DQKKSGDXVAKDEV-HXUWFJFHSA-N 435.435 4.926 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(CC1CC1)C1CCC1 1507787923 MASWZJALAOYDDA-UHFFFAOYSA-N 437.332 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1507818065 KOOCJPCRRFYZPX-VQTJNVASSA-N 447.624 4.569 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1507833156 YYGOIASYVPLKEC-LJQANCHMSA-N 439.585 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCCS2)CC1 1507900802 VJCSXEJBLBAVKK-IBGZPJMESA-N 428.602 4.650 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1c(C)nn(C)c1C 1507944195 PMPORCMEGBTUDP-OAQYLSRUSA-N 436.604 4.988 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCCCC1 1508004607 NXYHOGJVRYSOMF-QHCPKHFHSA-N 437.632 4.977 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1CCCC1 1508038122 QPGIKWDSXNHFLK-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)c2c(C)noc2C)C1 1508113263 WJDUQWYJPWHMDO-CRAIPNDOSA-N 441.963 4.788 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2ccsc2)C1 1508132529 VSGQDRGAXQXQGM-QFIPXVFZSA-N 438.597 4.559 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2Cc2nc(C)c(C)s2)cc1 1511044439 DABUICKIASCGNA-UHFFFAOYSA-N 438.626 4.740 30 10 IJEE CN(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)c1cccs1 1516978496 ALVJUBHXUSDEDW-LJQANCHMSA-N 441.004 4.703 30 10 IJEE COc1cc(C#N)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1521682963 HYMQVRQRNINYJM-SFHVURJKSA-N 449.429 4.790 30 10 IJEE C#CCN(C(=O)c1cnc2c(F)cccc2c1)[C@@H]1CCOc2ccc(Br)cc21 1521818807 JZCQGVKDKTYQIK-LJQANCHMSA-N 439.284 4.736 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nc(CCC)n(-c3ccccc3F)n2)cc1 1523871207 KMLAPKBWQHQUFR-UHFFFAOYSA-N 436.487 4.621 30 10 IJEE C#Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 1528928877 ASCKTSFUTKNUDQ-IBGZPJMESA-N 432.442 4.569 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(SCCOC)cc2)CCCN1C(=O)OC(C)(C)C 1528953174 CZXVGPGOZRVVJE-UUOWRZLLSA-N 448.629 4.948 30 10 IJEE CSc1nc(O)c(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)cc1C#N 1530303060 QWLNVGOJFPUGMV-UHFFFAOYSA-N 447.339 4.519 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3ccccc3OC)nc2O)C(F)(F)F)cc1 1532570618 WSYSBYUQBMWEIG-HXUWFJFHSA-N 427.378 4.905 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc1OC 1534113344 NXBZCZQCWUZUPM-ZUWLDVSESA-N 437.536 4.647 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1 1534205361 OABLWWOJNAIVTP-UHFFFAOYSA-N 446.469 4.613 30 10 IJEE CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1534972335 CCSUCBLVCABAFG-OAQYLSRUSA-N 431.923 4.766 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)OCC 1537003363 CBLBGYIYUXOQLX-SFHVURJKSA-N 428.510 4.682 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1537452735 IPXUXAZLWCMJBA-WRGVRERRSA-N 428.554 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(F)(F)Br 1538971363 GVYHBLCBJLEXGR-RYUDHWBXSA-N 447.711 4.517 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C)s1 1539142577 UFRYVPTWADRICP-IBGZPJMESA-N 443.617 4.770 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)c1 1539326926 BFHKZULWJDOECI-JOCHJYFZSA-N 434.540 4.779 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CC[C@@H](C)C1 1539399774 SJSKZJBIJDPTDP-RTBURBONSA-N 426.630 4.798 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1539519187 DTQJCNVHHXYFBP-SFHVURJKSA-N 443.686 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C)CCC1 1539548287 KHTSJECZQYMDGD-JOCHJYFZSA-N 443.389 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nc(C(C)C)cs1 1539666322 VAMMWVLXJYJXKJ-UHFFFAOYSA-N 449.584 4.625 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCC(C(F)(F)F)CC2)CC1 1539889003 XONQIPHVBAJRNZ-JLAWEPINSA-N 426.527 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)c1ccco1 1539906859 VAFPSTHVLSFGOG-KRWDZBQOSA-N 442.585 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1539926019 GJPCEPPJVKOGBX-QFIPXVFZSA-N 432.616 4.783 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCCOC1)c1ccccc1 1539940538 RQXVLUNQYIAQBZ-JTHBVZDNSA-N 431.584 4.871 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1540048989 DVDAGVICXITAQH-IBGZPJMESA-N 439.604 4.626 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1)C1CC1 1540111000 APLOKDUAZXHLBD-UHFFFAOYSA-N 428.024 4.942 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC[C@H]1CCO[C@@H](C)C1 1540134533 TZXNLZYLMPHBIT-PMACEKPBSA-N 435.547 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccnc(OC2CCCCC2)c1 1540160768 ALBXOBWTOGPBKM-UHFFFAOYSA-N 430.556 4.673 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1540911517 ULRKGRCULZQMIN-RDJZCZTQSA-N 449.418 4.624 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 1540950014 KBMCNKKVCPETFD-FQEVSTJZSA-N 447.938 4.959 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H](C)N1CCCCC1 1541819244 ATVCNGBSRWIRMN-UXHICEINSA-N 432.572 4.872 30 10 IJEE Cc1csc([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)n1 1542847515 IAXXIRGUGWYMNB-JXFKEZNVSA-N 436.585 4.596 30 10 IJEE C#Cc1ccc(CNC(=O)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)cc1 1564787116 GNRXYJWBISLUTG-OAQYLSRUSA-N 441.369 4.630 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C#N)CC1 1583829900 DFGBUSQNQSAXLN-RUZDIDTESA-N 443.547 4.622 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cncc(F)c2)c1 1586278637 IQOKVLMXAGGZRF-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3ccc(-c4ccncc4)cc3)n[nH]2)c1C 1587511912 HDQGKMZGCFHPOH-MRXNPFEDSA-N 426.524 4.629 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1588198448 TZCRZZZWQRJYEF-GOTSBHOMSA-N 445.655 4.727 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ncc(CC)s1 1589642155 XTALLTZPLJKKTG-UHFFFAOYSA-N 433.585 4.600 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1594128163 MHWVZKNOKRJZJY-HXUWFJFHSA-N 429.996 4.541 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)c1nccs1 1594608845 XQWCVLSMVKILBL-MRXNPFEDSA-N 449.584 4.647 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 1594627676 WKXKBMOUKKGVRC-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1594651557 MWZQSARBQKLMKB-HSZRJFAPSA-N 434.588 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CCc1nc(C(F)(F)F)cs1 1594929086 CTSCCVXUQBQYEX-UHFFFAOYSA-N 427.883 4.939 30 10 IJEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N(C)Cc2ccc(Br)o2)cc1 1595614073 MYEXTBWLHYUKPD-UHFFFAOYSA-N 443.345 4.761 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1602986607 IDWAYSNWQMVGEM-IBGZPJMESA-N 440.473 4.904 30 10 IJEE C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nnc1-c1ccc(C)cc1 1613654851 LZWKJOLISIAWRD-UHFFFAOYSA-N 438.553 4.536 30 10 IJEE CN(C)c1ccc(/C=C2/S/C(=N/N=C/c3cccs3)N(Cc3ccco3)C2=O)cc1 1615301710 ZHBDBTOGEBCNEL-WLAAGDGTSA-N 436.562 4.914 30 10 IJEE CCN(CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 1617228925 BASQFOLVVNBPGF-UHFFFAOYSA-N 436.943 4.851 30 10 IJEE CS[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1620213517 APXKVAUHWVROTJ-PXNSSMCTSA-N 429.634 4.848 30 10 IJEE C=CCC[C@@H](C(=O)Nc1nccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1)c1ccccc1 1623637957 VPORSNYVRHFXRP-VQTJNVASSA-N 436.556 4.890 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 1623649074 JEFRGFGSVJWAEK-KGVIZRLGSA-N 439.440 4.653 30 10 IJEE COc1ccc(NC(=O)c2cccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)c2)cn1 1627780961 BHPGTLJKDQYAIQ-UHFFFAOYSA-N 441.274 4.773 30 10 IJEE C=C[C@H](CO)NC(=O)c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1630164679 PQJJVGLSHWKBLZ-GOSISDBHSA-N 442.515 4.633 30 10 IJEE C[C@H](NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1634169185 AMSHFSDDHPRVQV-KRWDZBQOSA-N 436.556 4.889 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 1634216558 ZGSQDGQUYDPSEP-IIBYNOLFSA-N 429.904 4.571 30 10 IJEE C#CCN(C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818752 VFTXYKQWJVPYNV-SFHVURJKSA-N 442.453 4.577 30 10 IJEE N#Cc1ccc(NCc2cnn(-c3ccc(Br)cc3)c2)cc1Br 1639845007 CIQCALBMKKBDTE-UHFFFAOYSA-N 432.119 4.881 30 10 IJEE CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2CCOc2cccc(C#N)c2)cc1 1642861591 FUBIDBOCAKTGHC-XMMPIXPASA-N 435.568 4.793 30 10 IJEE COc1ccc(CSc2nnc(SCC(=O)[C@H](C#N)c3ccccc3)s2)cc1 1643490765 DYNJZLSGQPRKPQ-QGZVFWFLSA-N 427.576 4.808 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 1658230369 ATLMDNSMFYXSTO-FQEVSTJZSA-N 441.535 4.731 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 1661341748 STHVLJTYOCAZCE-KRWDZBQOSA-N 435.414 4.989 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(CN2CCOCC2)c(C(F)(F)F)c1 1663349413 JSHSGKHPBKSCQL-UHFFFAOYSA-N 438.877 4.815 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1 1667787249 GGZALYOKJVZTCK-PKTZIBPZSA-N 428.492 4.584 30 10 IJEE CC#CC[C@H](CO)NC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 1669414610 JFUUSYFOIRVBHP-MRXNPFEDSA-N 444.354 4.622 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2nc(C)c(Cc3cccc(Cl)c3)s2)n1 1669978511 XIMCZOUONWHNMB-UHFFFAOYSA-N 427.961 4.579 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C12CCC2 1670293932 DJYUNHOXACCBQQ-HOTGVXAUSA-N 432.590 4.875 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1ccc(Br)cc1 1674025550 HKULCSFOISTHEX-OAQYLSRUSA-N 426.358 4.564 30 10 IJEE C#CCN(C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CCCc2ccccc21 1676229477 YFUAVDHFHNTJPY-FQEVSTJZSA-N 446.469 4.859 30 10 IJEE C=CCCSCCNC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1683691884 PIYFFIWZBGRPDG-LJQANCHMSA-N 439.666 4.755 30 10 IJEE Cn1cc(CNC(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1 1686078509 DXCJSSLNISHSMM-SIKLNZKXSA-N 433.943 4.748 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1686427332 MLASFCIVVIIGOZ-VWLOTQADSA-N 443.588 4.574 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(Cl)cc1F 1686922227 DEPORYYFFPVUOC-DJJJIMSYSA-N 448.325 4.599 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1scnc1C 1689883074 WKZSVZMDNKLYGI-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCSC2)C1 1690157273 CCTSVRTVWXFIHS-NFBKMPQASA-N 426.655 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](CCC)OC 1690192548 BEYSTNWIBAKNPG-HCLVMJGWSA-N 430.980 4.879 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC[C@@H]21 1690224652 REIDYZTXBMDSKN-DOMZBBRYSA-N 438.167 4.605 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1690304634 JFIHRJPTLMUHNR-ICSRJNTNSA-N 444.645 4.872 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1690467082 KZTNUBMROXTWSL-UHFFFAOYSA-N 441.645 4.658 30 10 IJEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(Cl)=C(Cl)C1 1690510759 FCSJBWJFCXPHNE-UHFFFAOYSA-N 446.382 4.773 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1c[nH]c2ccccc12 1690517609 IILDNDRBLDXLIT-UHFFFAOYSA-N 439.361 4.772 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](c1cccs1)N1CCCC1 1690529712 XSXPCXAQTHORET-HXUWFJFHSA-N 443.567 4.668 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCc1c(C)noc1C)C1CC1 1690539146 VSQLQNHZPGSZLV-UHFFFAOYSA-N 442.361 4.710 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](C)C1)C1CC1 1690554260 ZIMHVYMEFMJKAO-NSHGMRRFSA-N 429.609 4.941 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCC1=CCCCC1 1690559355 CZOTZLSMJSTPKO-UHFFFAOYSA-N 427.556 4.633 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1690578262 SRNMHSUCYYIVDC-QHAWAJNXSA-N 443.661 4.547 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCCC2)C1 1690690442 YVJMDEMETCZJBM-FCHUYYIVSA-N 444.023 4.500 30 10 IJEE CCc1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H](C)c2nccs2)s1 1694565709 HUZAHMKCGDFHRH-OAHLLOKOSA-N 449.609 4.580 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1)c1ccsc1 1696595164 BBQCUGSYVNAIPO-OAQYLSRUSA-N 438.576 4.579 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1705526835 MUYTUPMWPUVEJG-FPOVZHCZSA-N 447.583 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCCOC(C)C 1705608322 MXNRVYRNIMFZDP-UHFFFAOYSA-N 437.357 4.511 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CCCCC1)N(C)C 1705625298 FLYNQBJYBHHFKU-DEOSSOPVSA-N 448.590 4.563 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)C(C)C)CC1 1705633336 OPXYHRIPWVNUFO-LJQANCHMSA-N 444.023 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1705716437 LDDQWTXSECIPEB-UHFFFAOYSA-N 425.577 4.966 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1705722113 VOCSAKLITPKTOQ-UHFFFAOYSA-N 444.004 4.687 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCc2nnc(C)s2)CC1 1705772650 XGZPFKAVGJLFNT-UHFFFAOYSA-N 440.642 4.828 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)C(C)C)CC1 1705785111 VXWGUAJLHAJBES-AREMUKBSSA-N 440.632 4.964 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1705788123 PTWDISAYUKCEQO-SFHVURJKSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705794035 SJSBHRUMFJZWSZ-UHFFFAOYSA-N 449.643 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705802284 GYFLJGOTOBHNJL-FQEVSTJZSA-N 430.568 4.850 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1705808226 DRXIBIRNXCQFGS-HXUWFJFHSA-N 445.405 4.927 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1705915442 KDTHQTNQLKPGDR-DYRSVQDXSA-N 438.616 4.805 30 10 IJEE Cc1cccc(CCCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@H](C)C#N)n1 1707608262 BMTBGTRIZDBGOH-GOSISDBHSA-N 441.539 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H]1CCCCO1 1722391066 ZQIVVWSEDBVWIW-TZIWHRDSSA-N 436.625 4.554 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1722497226 SVRBHFCYIRDNAI-FXAWDEMLSA-N 432.490 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCCCc1ccccc1 1722508132 KJVJMOVFCPISFA-SMIHKQSGSA-N 438.616 4.960 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1OC 1722520791 MCIFNRNCKNFPOW-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2)CC1 1722585848 LDRIGZWRSDCCNR-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1)c1ccccc1 1722594826 REUQFLBZLBRYNF-QNWVGRARSA-N 438.616 4.926 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cccnc1)C1CC1 1722654066 PMHOKXLISMGYFW-UHFFFAOYSA-N 431.584 4.947 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCC(C(F)(F)F)CC1)C(C)C 1722666385 QUZWGYNQSMDOTP-LJQANCHMSA-N 425.543 4.633 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C)C1)C(C)C 1722667579 WBKQADYBJOGMNP-OFVILXPXSA-N 446.643 4.982 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)c2c(C)noc2C)C1 1722714226 INMKPINGLPHMNA-YWZLYKJASA-N 441.963 4.788 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722741834 YCVONFDVFDSLNH-CALCHBBNSA-N 436.572 4.524 30 10 IJEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)CCO1 1727332644 BDZNPDKGJMSESP-NLFFAJNJSA-N 437.588 4.560 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1728154233 BEHOQVMIVQKUPU-NRFANRHFSA-N 426.996 4.603 30 10 IJEE CCOCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1728957362 IBKAYDROHFHNFB-UUOWRZLLSA-N 443.567 4.750 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)c1nc(C)cs1 1740635244 ILJBJYPBNSDEQR-CQSZACIVSA-N 444.391 4.893 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)CCC(C)C 1740676352 ALGAPGBUSZPDGG-AREMUKBSSA-N 449.574 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CN1CCCCC1 1740728077 LIQZCKRIKKJXIC-NTKDMRAZSA-N 426.008 4.713 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1C 1740750430 QGNFMQMUZDRBTA-GOSISDBHSA-N 437.357 4.902 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](C)C1)c1ccccc1 1740797001 IFBXKNZMTWDCDX-GJZGRUSLSA-N 426.362 4.841 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccsc2)CC1 1740834273 PQDNZHFWACEXBS-UHFFFAOYSA-N 435.597 4.854 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[C@H]21 1740887846 DTGRDVRQYVOVOD-CRAIPNDOSA-N 437.371 4.745 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1740908275 RGTXWGPJYFRQRS-OAHLLOKOSA-N 431.968 4.667 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(C2CC2)CC1 1740938343 DVAOWAJQJRRWFL-UHFFFAOYSA-N 449.368 4.676 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCC(F)(F)F)C1 1740984279 ZCIPSYPHBFXIPP-SFHVURJKSA-N 438.494 4.598 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(c2ncc(C)s2)CC1 1741001261 PFMOBOFCNVEZDZ-GOSISDBHSA-N 433.647 4.588 30 10 IJEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1746964488 BGGOVWRGXHDBIF-VQTJNVASSA-N 427.618 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCSC1(C)C 1748657813 JRIQYYQLDUIPHS-PKOBYXMFSA-N 442.629 4.732 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@H]1C(C)C 1748943920 FRMISHALHVWGNM-VWNXMTODSA-N 447.558 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](OC)C1CC1 1749059941 GFCUSHCVJLBRQE-JYFHCDHNSA-N 436.600 4.787 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1749214333 XLLJWBSXQIAMAV-RTBURBONSA-N 448.608 4.872 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749391773 SMQXWDJKGFVBQU-LJQANCHMSA-N 427.568 4.640 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749763928 NLXQYBNMMLSDCK-AZUAARDMSA-N 432.659 4.659 30 10 IJEE CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1750686846 CTGBPGXWSMBYIW-UYAOXDASSA-N 447.505 4.657 30 10 IJEE Cc1ncsc1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1751345038 DUWKJXSYGXITLE-OAQYLSRUSA-N 444.967 4.875 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1csc(C)c1 1760105407 DYGJLORNSRQIQW-KRWDZBQOSA-N 432.549 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760325780 SNPHYBIQXDLVHX-XPNTWCBSSA-N 430.637 4.776 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760326436 XNJWTKJCFYDPCV-XSARVHFWSA-N 438.616 4.874 30 10 IJEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCc2ccc(C)cc2)CC1 1760391671 NAJFQWUDNMHIKA-UHFFFAOYSA-N 436.629 4.538 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1760399395 KXAJCSUSCUETNC-QUCCMNQESA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1760414308 MQQOYIGPDZEOQP-NZQKXSOJSA-N 431.584 4.833 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1CC1CCC(F)(F)CC1 1760480542 YCMSGLDQJIIWER-UHFFFAOYSA-N 429.515 4.704 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)N(C)C1CC1 1760491211 XQHQRWDCPPMSIJ-MSOLQXFVSA-N 425.646 4.793 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1760561937 QXEBDTLRFSPFFO-HNNXBMFYSA-N 429.977 4.816 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760568633 OGAOSNPKKDUVIH-NHCUHLMSSA-N 444.670 4.946 30 10 IJEE CS[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1770451292 AGGLIILAOSMJQP-FQEVSTJZSA-N 445.608 4.904 30 10 IJEE COCC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)C[C@H](C)C#N)CCCCC1 1770841445 CINDJEHLOVTRSG-HXUWFJFHSA-N 439.604 4.667 30 10 IJEE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750749 JYFLFIFPFPCRTC-UHFFFAOYSA-N 435.455 4.903 30 10 IJEE C=CCN(CC=C)C(=O)C1CCN(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)CC1 1860619930 XGVWGVIGAHTWRB-BUHFOSPRSA-N 444.575 4.718 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861071185 DZXVBBYZEAXECT-UACNQURRSA-N 432.605 4.725 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1Cl 1862416299 FQJLTJXCNNBLOJ-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1862432579 ICXXIACJMHOZLG-LJQANCHMSA-N 435.854 4.623 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 1862450219 BZHUVKAZCMZUIL-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 1862650084 NHFFPWIRQOTNMP-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862681721 GWPHHUYOXQUEBB-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)cc1 1862746979 LPOHREXSABFMMR-QRQCRPRQSA-N 444.443 4.640 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)c1 1862936558 SZGQZQWSNMQXMQ-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1 1862960163 ZOFNNSIJGGCGSJ-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCOc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863110315 ICZDAMJCQLCFMY-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863297739 YPGKJWFPALXOOQ-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1 1863445971 OMTNZKIKFBFRPK-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCC[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866699540 FVLDWDFENRJBTJ-RPBOFIJWSA-N 440.547 4.593 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)nn1-c1ccc(OC)cc1 1869938599 JCYJICMKUCZWKG-OALUTQOASA-N 443.592 4.579 30 10 IJEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870833520 MBGSQXRQUXCZBC-QFIPXVFZSA-N 438.572 4.865 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(Cl)cc1 1870972230 PQMKBRWCCQGWSH-UHFFFAOYSA-N 448.007 4.989 30 10 IJEE CC[C@@H](NS(=O)(=O)c1oc(-c2ccc(C)cc2)nc1C#N)c1ccc2c(c1)CCCC2 1871285922 GCOBIFXZXGQTNY-OAQYLSRUSA-N 435.549 4.830 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871435186 YSSLBBFMAXAWMW-DKNZLLBESA-N 430.884 4.612 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872265426 HLQMSLHBWCUGIN-IBGZPJMESA-N 442.915 4.602 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872374016 BAVHFKCMQQIMAS-NRFANRHFSA-N 436.524 4.566 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872442559 ZWHMAUFXHFLAEJ-XXBNENTESA-N 428.598 4.924 30 10 IJEE CC(C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 1872764831 ZKWAFDHJLHXUGG-KRWDZBQOSA-N 449.919 4.958 30 10 IJEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C/c2c(C(=O)O)[nH]c3ccc(C)cc23)c1 1873501599 DXQPURIQCFBUOR-BHGWPJFGSA-N 433.537 4.866 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874241788 YUCMVNKTPBWJCZ-HYARGMPZSA-N 441.513 4.548 30 10 IJEE COC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874283326 BJESVJWAGLEHOR-FSJBWODESA-N 449.363 4.517 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OC)c(OC)c1 1874375521 AIOWDGADGXENTI-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(F)cc1)Nc1ccc(F)cc1 1874427067 OVUXVWSDNPVZMH-VULFUBBASA-N 449.486 4.836 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C)cc1 1874440239 QFJROCSOLCFNFH-LFVJCYFKSA-N 429.634 4.798 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1 1874461627 XLFOYBYLWVYNMH-NUGSKGIGSA-N 440.834 4.823 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1cccc(OCC)c1 1874479784 RACIKWJXKKEWJT-JJIBRWJFSA-N 445.633 4.642 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874491326 LQNWNNWMZBUQJI-LSFURLLWSA-N 443.400 4.957 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874509174 OQWKGEQJRFNQNL-UFFVCSGVSA-N 428.389 4.551 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1cccc2ccccc12)Nc1ccccc1 1874516815 KSRYMHQOFRKWDD-MFKUBSTISA-N 427.533 4.922 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)cc1 1874518334 OIPYPPNXRMADHI-FSJBWODESA-N 425.945 4.730 30 10 IJEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(OC)c(C)c3)ccc2OC)o1 1874593657 VKBWAGPVDABQNA-WEVVVXLNSA-N 436.460 4.867 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(C2CC2)nn1-c1ccccc1 1891431022 HFGNSBXBUHVBKM-UHFFFAOYSA-N 439.437 4.581 30 10 IJEE Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc(C#N)c3)cc2)c1C 1892400052 FRPFLSHUMWIPJL-UHFFFAOYSA-N 447.560 4.523 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)c1sc(CNC(=O)OC(C)(C)C)nc1C 1922115798 KMFABLKLURWOMK-FQEVSTJZSA-N 431.602 4.900 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1943877587 OHXGDVQZGSWTFZ-JPYJTQIMSA-N 437.581 4.522 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCC2 2005325260 JPBNAQKWWQVZRE-VBKZILBWSA-N 447.498 4.763 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@H]2C[C@@H]21 2008449806 VFSKBBOQDQVUEM-IUKKYPGJSA-N 431.508 4.859 30 10 IJEE C#CC[C@H](CC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2020047592 ORKNJJYXSNKDQM-ATIYNZHBSA-N 425.569 4.839 30 10 IJEE N#Cc1ccc(NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)cc1Br 2026166583 KTCOAPXHUOIWGZ-BIXGBWIQSA-N 426.314 4.580 30 10 IJEE CCc1nn([C@H](c2cc(C)c(C)cc2C)C2CC2)c(I)c1/C=N/O 2079125749 VCKBQSPRXZYSOC-FWOHHPOZSA-N 437.325 4.783 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(c2ccc(C#N)c(Br)c2F)C1 2118157770 ZZRHHPAAWWVKNL-OLZOCXBDSA-N 426.330 4.542 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2118192887 UMHYNYZFQHYGNO-OCCSQVGLSA-N 426.330 4.732 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cccc(OC)c2Br)C1 2142376780 YCHPAVJUSHZVMC-KRWDZBQOSA-N 425.367 4.579 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1COc1cc(Br)cnc1C#N 2198815797 PVGGNHLWDQIAND-HNNXBMFYSA-N 436.350 4.664 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CCNc2cc(Br)cc(F)c2C#N)C1 2205222045 ITHOBOVANMKAKU-ZUOKHONESA-N 438.341 4.909 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](N)(C#Cc2ccccc2Br)CC12CCCC2 2235733220 ZUVOAKZWWKHWGZ-NRFANRHFSA-N 433.390 4.842 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2235747406 POUUKHXFIATTOS-UZLBHIALSA-N 435.406 4.672 30 10 IJEE C=CC[C@@]1(COc2ncc(N)c(C)c2Br)CCCCN1C(=O)OC(C)(C)C 2287843019 VYVPJHBXMVYJIJ-FQEVSTJZSA-N 440.382 4.849 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@H](C#N)CC23CC3)c1 2288479452 YMVHYCNXYMRPBK-ZDUSSCGKSA-N 434.334 4.704 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccccc3)ccc2O1 2296088594 GFGDSWNXNSYHBE-CJAUYULYSA-N 439.511 4.674 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(N)C#Cc1ccc(Br)cc1 2296219590 PPPWGYVSFFWZRC-YZKRDWPBSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)C1 2296273595 PPWIGHZKXYHLEB-OALUTQOASA-N 434.374 4.589 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1(CC)CN(C(=O)OC(C)(C)C)C1 2296295919 ILZNUCSAQBWZBA-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2ccc(Br)cc2)CCC2(CC2)CC1 2296304833 LXAPVFQOSLTMJD-GOSISDBHSA-N 433.390 4.746 30 10 IJEE O=[N+]([O-])c1cc(C=Nc2ccc(I)cc2)ccc1Br 2297672179 NMRBVMKKLOSVPN-UHFFFAOYSA-N 431.027 4.713 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2318414384 ABYLYFKXVBOMTM-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE Fc1ccccc1COc1ccc(C=Nn2c(S)nnc2COCc2ccccc2)cc1 2322016188 VDZDRRJKYJNAKF-UHFFFAOYSA-N 448.523 4.884 30 10 IJEE CCCc1ccc(OCc2nnc(S)n2N=Cc2ccc(OCC)c(OCC)c2)cc1 2322156509 XWOUNRGETXMKKF-UHFFFAOYSA-N 440.569 4.778 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2cc(C)ccc2C)cc(Br)cc1OC 2322617564 VOXBJOMOUUCRTA-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1C)C2=O 2323992333 MFOZUNFBVACMIW-UHFFFAOYSA-N 437.536 4.790 30 10 IJEE Cc1ccccc1CN1CCN(Cc2c(O)ccc3c2OC(=Cc2cccs2)C3=O)CC1 2324196967 OWBGNMSEUNIXLH-UHFFFAOYSA-N 446.572 4.696 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 2325722982 GAUUBPRNVBFJEA-WNOPAQSVSA-N 443.584 4.520 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)c1 2325761911 QIANJHNVWRTLLV-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c(OCC)c1 2328799183 RYMNRCIHBGJFPE-UHFFFAOYSA-N 440.569 4.963 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2c(F)cccc2Cl)cc1C 2329453312 WCYUKKKQNCVNCZ-UHFFFAOYSA-N 432.952 4.635 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccco2)cc1C 2330807488 OMROEAKCZZOKTN-UHFFFAOYSA-N 425.558 4.690 30 10 IJEE CCOc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)ccc1O 2330935244 MJDSXSQYAKZCAP-LJQANCHMSA-N 442.516 4.548 30 10 IJEE Oc1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 2331009193 VAHRSDHJAOFZIM-GOSISDBHSA-N 432.908 4.802 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccn2C)c1C 2331029833 GBAPHDHIKNMUEZ-UHFFFAOYSA-N 436.585 4.504 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2cccc(C)c2)cc1 2331122831 QNKKYCZCFLAEGK-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2Cc2ccccc2C)c2ccccc2)cc1 2332149027 XIPDZXOVXCZVFV-UHFFFAOYSA-N 449.514 4.694 30 10 IJEE CC[C@@H](NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512725 PCBCDWRXMOYEFP-WIYYLYMNSA-N 446.441 4.672 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@H]3CCOC[C@@H]3OCc3ccccc3)nc2)OC1(C)C 2339545370 VLJMVLGSQLNUNM-VXKWHMMOSA-N 436.361 4.512 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC(C)(C)[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582143 OYXKQZOIEHZHID-LNJMBMCMSA-N 444.381 4.797 30 10 IJEE CC#CCN(C[C@@H](Cc1cccc(F)c1Br)NCCC)C(=O)OC(C)(C)C 2363131917 LMUPMNIXHTVKML-QGZVFWFLSA-N 441.385 4.759 30 10 IJEE Cc1cc(CNC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369618290 JFNUJSYDYJQAQM-FGZHOGPDSA-N 448.460 4.540 30 10 IJEE CN(C(=O)CSc1nc2ccccc2c2nc3ccccc3n12)C1(C#N)CCCCC1 8760835 IIACLWFDNUDAAY-UHFFFAOYSA-N 429.549 4.813 30 10 IJEE CC(C)CNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(C#N)cc2)c1 37600869 KZKDGFNWBJKKMS-UHFFFAOYSA-N 425.532 4.720 30 10 IJEE COC(=O)c1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc(Cc2ccccc2)c1C 59460303 WRRQKYKSBRRYGI-FOKLQQMPSA-N 438.461 4.821 30 10 IJEE C=CCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1 66064671 MDRIAHIXVXEHNC-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE C=CCOc1cccc(NC(=O)CNc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)c1 66096908 PGGLBNSPTCZYMI-LJQANCHMSA-N 429.520 4.793 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1 66227305 OBIDCEYTSOWCRK-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE O=C(/C=C\c1ccccc1)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 96850758 LHYUVRPWMPUVPW-YYFQYTQESA-N 431.919 4.790 30 10 IJEE CCN1C(=S)N[C@H](c2cccc(OC)c2OCc2cccc(C)c2)C2=C1CCCC2=O 169933076 JWHPSDBCHLDKQU-HSZRJFAPSA-N 436.577 4.841 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1cccnc1 169947094 KOCARGQPGZXBPW-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)c1 169991879 RZKMZAVVWZZJCI-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)c1 170093560 KRCNTMFTYZBWFB-LJQANCHMSA-N 437.835 4.503 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)cc1C 170133569 BZFZDVZFNZBYDK-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 170144043 ULVKRLMEXOFNIY-WAIKUNEKSA-N 429.472 4.690 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)ccc1Cl 170162348 CRNLMTOYGCCGGJ-SFHVURJKSA-N 429.881 4.782 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccn1 170174142 CHVJXKHINBGPRA-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)cc1C(C)C 170188140 YQDWMNRQCNCIAI-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2)c1 170221300 XLUYSMXPCKZHNN-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c(OC)c1 170239816 LSUCVFJVTWZIQD-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 170241413 HVJKVZZHSFKSIS-QFIPXVFZSA-N 428.419 4.745 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cn(C)c2ccccc12 170269199 VLMUADWMCNKPJI-HSZRJFAPSA-N 448.519 4.574 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccco2)c1 170279298 AAVPXRXEHCPGDT-HSZRJFAPSA-N 446.503 4.916 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)cc1C(C)C 170292324 ZDOFNHOGDPRMIE-JOCHJYFZSA-N 432.476 4.585 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)c1 170297206 HXFGKNBSWDMBKC-BXKMTCNYSA-N 443.499 4.998 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 170454568 BJRJHJYYJAWMPU-OAQYLSRUSA-N 428.479 4.936 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@@H]1c1ccccn1 170478886 GSRJPAIDWAASHK-MRXNPFEDSA-N 431.876 4.609 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCc2ccc(O)cc2C1 460563840 WAJCWFWKHYNOSV-UHFFFAOYSA-N 425.330 4.552 30 10 IJEE COC[C@H]1CC(=O)C=C2C(Cl)=C[C@@H]3[C@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]21C 504807674 GXMMOJSSTKHQSR-FYXGHNHDSA-N 448.987 4.624 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Nc2cccc(C)c2)CC1 508463067 CVWOGKXHACYZOS-UHFFFAOYSA-N 433.556 4.538 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](c2cccs2)C1 508825677 KXKQLAIUWVWQMB-MRXNPFEDSA-N 449.349 4.672 30 10 IJEE C=CCCCN(C)C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 522951118 KXXUYKCAFZDGDB-WIOPSUGQSA-N 436.552 4.613 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)o2)cc1OC 526517019 PPMOHTMKYKXEPM-QHCPKHFHSA-N 430.460 4.924 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccco2)cc(Cl)c1OC 526608373 CXONBONMXYFRHE-FQEVSTJZSA-N 436.851 4.879 30 10 IJEE C=CCn1c(Sc2ccc3ncccc3c2[N+](=O)[O-])nnc1[C@@H]1COc2ccccc2O1 535008444 HJEBJRGIMSKNGA-SFHVURJKSA-N 447.476 4.584 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@H]2CNCC[C@@H]2NC(=O)c2ccc(-n3cccc3)cc2)cc1 585837931 SEGBCQVXFKGYTA-MVPBDLCNSA-N 441.575 4.591 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)COc3ccc(C)cc3)C2)c1 586009147 VUVJCJVORXHOEP-HSZRJFAPSA-N 449.595 4.632 30 10 IJEE C[C@@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709339839 CXKYEDJSEAAMQU-MPWIWIEXSA-N 448.568 4.994 30 10 IJEE O=C(COc1ccc(C=Nc2ccc(Br)cc2)cc1)NCCc1ccccc1 725380584 PBNQEIGROQJDNO-UHFFFAOYSA-N 437.337 4.937 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(C)c1 733198368 WMSYMUBGKQKIDR-QFIPXVFZSA-N 433.577 4.904 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 735968534 IGCPZYASQRLOBZ-LJQANCHMSA-N 443.956 4.716 30 10 IJEE COCCc1nnc(S)n1N=Cc1c(Cl)cccc1OCc1ccccc1Cl 743447482 SALXCKJLNIMQLY-UHFFFAOYSA-N 437.352 4.524 30 10 IJEE CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)cc1 772645698 OODURKOQPNPUTL-KRWDZBQOSA-N 441.409 4.699 30 10 IJEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(OC)n2)cc1 811724898 SJFJBYSMVMWXJR-UHFFFAOYSA-O 431.541 4.525 30 10 IJEE Cc1ccc(C=NNc2nc(SCC(=O)c3ccc(Br)c(C)c3)n[nH]2)cc1 1084087790 UAFQSEGBQAMIDU-UHFFFAOYSA-N 444.358 4.605 30 10 IJEE NC[C@@H]1CCC[C@H](C/N=C(/Nc2ccc3c(c2)OCO3)N2CCC[C@@H]3CCCC[C@H]32)C1 1088703261 QSEFPAIIVJIUBT-FCIYXJNOSA-N 426.605 4.603 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccco3)c2=S)C1 1116538937 GEHKNCAKDAZBML-IBGZPJMESA-N 430.961 4.610 30 10 IJEE C=CCc1cc(CNC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)cc(OC)c1OC 1125544063 AWDSHAHUPGPXEK-UHFFFAOYSA-N 449.526 4.566 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-c3noc(C(F)F)n3)cc2)nc1 1129842739 ICQZVAXGBAYVAW-UHFFFAOYSA-N 431.402 4.788 30 10 IJEE C#CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1136796645 PSVURTQZJLZPOJ-UHFFFAOYSA-N 426.582 4.543 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 1137000005 DHTAGPWIVJDDDY-UHFFFAOYSA-N 443.469 4.924 30 10 IJEE N#Cc1cc(NC(=O)CCc2ccccc2N2CCOCC2)ccc1Oc1ccccc1 1155062743 DBWIDZOPYGUEPT-UHFFFAOYSA-N 427.504 4.758 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F 1160808328 NTHAANWPXZVHGU-JSGCOSHPSA-N 436.858 4.991 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccc(OC(F)(F)F)cc1 1189980545 GDIJMLRZPUQFRM-JTQLQIEISA-N 438.349 4.515 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 1203435866 KJUNLYPUDNRTGZ-WFASDCNBSA-N 436.965 4.994 30 10 IJEE CC#CCCNC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1210998929 NRZNKMXSKYOQQV-LJQANCHMSA-N 436.408 4.867 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 1226795544 AACDKODDLQFFPR-FQEVSTJZSA-N 438.385 4.769 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OC2CC2)cc1OC 1264905941 SPZQPISSJVQGRS-UHFFFAOYSA-N 434.305 4.966 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286508095 FPLSVCTXYHBZBH-UHFFFAOYSA-N 442.473 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCN(C)C1CCCCC1 1286516722 JIKHLCSXDUZRMS-XMMPIXPASA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286523279 SMFNQGDMNYJLJU-OSWQYVSFSA-N 443.636 4.504 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cscn1 1286552329 PZMJMTAPTYLXOL-AUUYWEPGSA-N 447.967 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(C(F)(F)F)CC1 1286565481 PHXKDIQEWWBMDF-XLIONFOSSA-N 426.527 4.771 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CCC(F)(F)F)CC1CC1 1286585057 UWLHFQUTKIKCCI-UHFFFAOYSA-N 435.494 4.892 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cncn2)C1 1286666177 AQWZQROESHLROX-YADHBBJMSA-N 433.604 4.855 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1286827221 HLEBJKBNSGOSCG-MJGOQNOKSA-N 428.602 4.650 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2c(c1)nc(C)n2[C@@H](C)CO 1297868598 IIAKGIVPSWPSPU-ZDUSSCGKSA-N 433.430 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1300275311 SVWZHNTWZXWXIK-NNMXDRDESA-N 440.563 4.897 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCCC1 1300275643 XNYWTZAJGQNKMQ-IFMALSPDSA-N 437.632 4.757 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1300383889 JDLISJUXTDUFSV-OTWHNJEPSA-N 428.602 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1cccc(Br)n1 1300918394 ZNLALYKFMMZXFQ-UHFFFAOYSA-N 444.352 4.616 30 10 IJEE C=C(Cn1c(N(C)Cc2cccs2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1301009641 BSHDZXZXZFXEGD-XMMPIXPASA-N 438.597 4.730 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2c[nH]nc2C)CC1 1301105132 DYVVVSBVZLZIRH-SFHVURJKSA-N 438.551 4.624 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCN2CCC[C@@H](C)C2)CC1 1301111902 IVHWAWNFMGGNOG-OAQYLSRUSA-N 437.632 4.868 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1301130290 VPTICMRWUNPZNF-XMMPIXPASA-N 438.597 4.537 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1301135769 RMSMKZGRYDLJIH-ICSRJNTNSA-N 442.629 4.797 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301140068 ZSBDQIWMYZUOHB-UNIVCBNLSA-N 438.616 4.807 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1301207150 RHLDYBLUBLMVGR-UHFFFAOYSA-N 436.869 4.800 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1Cc1ccc(Cl)nc1 1301399569 PZVMTYQPIIQXBA-UHFFFAOYSA-N 432.959 4.615 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCc1ccsc1 1301421124 PLDXNFKVNMSRBE-UHFFFAOYSA-N 447.402 4.651 30 10 IJEE C#CCN(C(=O)CCC[C@@H](C)c1cccc(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656564 YVYGVJJXWMZCMG-HXUWFJFHSA-N 442.600 4.830 30 10 IJEE C=CCN(CCc1ccccc1)c1nc(C(F)(F)F)ccc1I 1306951954 XONUOKBPHVHIDU-UHFFFAOYSA-N 432.227 4.940 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 1307250459 GSFYXYJEVXLOKR-GOSISDBHSA-N 429.929 4.800 30 10 IJEE CCOC(=O)[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C)c1C 1307826052 DWQSXKFNERDBRQ-HXOBKFHXSA-N 439.581 4.530 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cn(C)nc2-c2ccccc2)cc1OC 1308367881 KVLRDTGFEMVMME-UHFFFAOYSA-N 442.357 4.713 30 10 IJEE CCC(CC)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCOCC1 1310212208 BFNDNSMXSKUOAA-DEOSSOPVSA-N 436.556 4.609 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1 1310335696 SMWWFOVQHANCIF-UHFFFAOYSA-N 446.347 4.980 30 10 IJEE CCCc1c(NC(=O)NCc2ccc(Br)s2)cnn1-c1cccc(C#N)c1 1310576181 GHYWDFLSXFZUCG-UHFFFAOYSA-N 444.358 4.842 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCOc1ccccc1OC 1310862896 ZYBZFXBXWDTQTE-UHFFFAOYSA-N 435.318 4.613 30 10 IJEE C=C(C)[C@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)c1ccc(F)c(F)c1 1311757603 AEIYJMHAHFSPGR-DEOSSOPVSA-N 443.538 4.802 30 10 IJEE C=C(C)CN1CCC(NC(=O)NCC2(c3cccc(Br)c3)CCCCC2)CC1 1311890436 ADNUJWFTUISWFK-UHFFFAOYSA-N 448.449 4.991 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccc(Cl)cc1 1312937540 NSZNTWCRGBUQBS-MOPGFXCFSA-N 433.733 4.560 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CC[C@H](C)C1 1316075284 BCHNVPRDJNOLIO-OZROYSPXSA-N 425.552 4.596 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cccc(CSc3cc(C)ccc3C)c2)c1 1358019347 WNHPVFFQCGXXHO-UHFFFAOYSA-N 428.557 4.946 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N1CCC(C)CC1 1358878218 SQHOSBSAUILKBM-VQTJNVASSA-N 439.673 4.854 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1358909126 VCLXSSHPHIGUKB-WIYYLYMNSA-N 433.383 4.777 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1358935223 BBICYKZYNCLQND-HXUWFJFHSA-N 441.004 4.712 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359015392 RWXIIUMNUGLYAG-NJDAHSKKSA-N 425.596 4.691 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1359086034 HWKXONWNXWRMAG-SFHVURJKSA-N 445.386 4.886 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1359160057 KVSLWHUMOJNTDS-NJYVYQBISA-N 441.595 4.834 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1359167200 XJFBCGJOPLYZQH-OAQYLSRUSA-N 448.514 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359184388 NHBWOCLJEVZIBW-FQEVSTJZSA-N 439.560 4.709 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@@H]1N(C)CCCC1(C)C 1359255232 SAJKFQLWXAFTOU-QHCPKHFHSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc(OC)c(F)c1 1359264093 UKUPWOGMIBRMOH-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@H](SC)C1 1359337776 AAOHPPKKNUQJSY-FQEVSTJZSA-N 448.658 4.603 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(F)(F)c1cccc(OC)c1 1434994948 IHLSTGGDLCNHOE-UHFFFAOYSA-N 428.248 4.903 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1)c1ccccc1 1455603776 WRZNAUYAKHYPPD-OAQYLSRUSA-N 434.515 4.802 30 10 IJEE C#C[C@@H](NC(=O)c1cc(F)cc(Br)c1F)c1ccc(Br)cc1 1460785179 LFPIKJRNZZVZEI-CQSZACIVSA-N 429.058 4.594 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)nnc1-c1ccc(Cl)cc1 1461023454 SEUARUAGURNBQH-PKOBYXMFSA-N 431.005 4.962 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c(C)c2c1 1461242601 DXSGJFRPUKFQBL-UHFFFAOYSA-N 443.547 4.529 30 10 IJEE C#CCOc1cccc(NC(=O)N2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)c1 1465628677 RYYFRYMAOYUUPS-XZOQPEGZSA-N 449.551 4.742 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1 1466161531 QMKHEGRGPODYNH-UHFFFAOYSA-N 443.519 4.949 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)c1ccc(Br)cc1 1470662443 FHGLMSNPPVCTGF-DNVCBOLYSA-N 446.776 4.603 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CCc2ccccc2)ccn1 1472522403 LZNWHQOTPNSFPO-LJQANCHMSA-N 429.948 4.841 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 1474868537 CUVIKLHNAYIWIT-GOSISDBHSA-N 428.451 4.885 30 10 IJEE N#CCC[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccccc1 1477860958 CGBDWGQALVOPOC-IFMALSPDSA-N 428.939 4.788 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)o1 1500210671 HWIFDELEQRJOIA-QGZVFWFLSA-N 430.512 4.904 30 10 IJEE CCO[C@H](CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)C 1502577524 AZJAEWIJZKHJPY-WWPVKYPJSA-N 439.604 4.692 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1507679608 ONQSNLHILKEBDS-IPJJNNNSSA-N 445.007 4.982 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ncccc1C 1507766046 YAQYIHDFLNBWTA-RXFWQSSRSA-N 445.567 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CSCCS1 1507822445 WEKUNSVNCJQGEV-IBGZPJMESA-N 432.659 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)[C@H](C)CC 1507823062 CILJYLKNVKHADP-HSALFYBXSA-N 449.640 4.814 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS[C@H](C)C1 1507838337 AESGTJTYMFMPFN-IAGOWNOFSA-N 432.659 4.666 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1507959189 JJEHOKNTLGLLKT-VCOUNFBDSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1508158047 IVVMKPWABGDWPZ-IBGZPJMESA-N 440.592 4.658 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)CCOCC1 1513636641 BZDJIRAIDXOOOB-WIYYLYMNSA-N 439.604 4.838 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1519986536 KWCBRQAZWNNKBE-FQEVSTJZSA-N 442.556 4.928 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1525425966 DOZGUHYKGNRLJE-YCRPNKLZSA-N 440.462 4.555 30 10 IJEE COc1cc([C@H](C)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)ccc1OCc1ccncc1 1525877144 FHRCELRZKKRMAB-MOPGFXCFSA-N 429.520 4.597 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(C(C)(C)C)cc3)c2CCC)cc1 1526222858 FKBXBJHEGOYURC-UHFFFAOYSA-N 445.567 4.685 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 1526362362 DFERNHRLKDVPRO-DEOSSOPVSA-N 431.442 4.871 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)c1ccccc1 1526451714 HROHYQLOZNHUHP-JOCHJYFZSA-N 428.488 4.822 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1528714867 ZCORRBFKUKVMAU-FCHUYYIVSA-N 426.532 4.738 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)CCCN1C(=O)OC(C)(C)C 1531266684 MUKPVORNXUTDHF-NRFANRHFSA-N 440.899 4.550 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cnc(C3OCCO3)s2)c1 1531283678 BJHKFAUHWHMLPU-UHFFFAOYSA-N 425.897 4.561 30 10 IJEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CCCCC1 1532897221 RFZNUHFHEWUPFV-UHFFFAOYSA-N 442.581 4.529 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[C@@H]2C)c1 1538178283 WHDXRQXMGCAQIO-ROUUACIJSA-N 447.000 4.887 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccccc1 1539186226 NDNHKETWDZFTKZ-DFXYEROKSA-N 428.554 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@@H](C)C1 1539620567 MBGXWZRRAGDRFT-PWHSHALESA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1539686426 VETGMFZKCGHADB-KRWDZBQOSA-N 426.362 4.681 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1539787605 PRRPOPRDXYPGCY-IIBYNOLFSA-N 448.995 4.746 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1OCCC1(C)C 1539945636 SFNTYPUHXPQCQE-OAQYLSRUSA-N 426.561 4.672 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cn[nH]c1)C1CC1 1540094766 JUXJBEULSYZRQW-KRWDZBQOSA-N 440.979 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@H]1C(C)C 1540148467 WRXWPNQZVBIWMI-ZWKOTPCHSA-N 441.626 4.741 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCCCC1 1540881963 YEPXBJDXAPWVEG-UHFFFAOYSA-N 434.588 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCSCC=C)C1 1540886691 HULWHAAQWDCSMY-MRXNPFEDSA-N 439.412 4.952 30 10 IJEE C=CC1(CC(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1542789730 CKWVLDAGSBMSAT-UHFFFAOYSA-N 440.506 4.912 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)cc1 1543334792 DLESCSDUADPITP-NRFANRHFSA-N 429.451 4.535 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1558370931 VSRORRSVFCHAHS-INIZCTEOSA-N 438.490 4.670 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(-c2ccc(Br)s2)s1)C(=O)OC 1558383808 PLHMXNCDWRQHNC-NSHDSACASA-N 428.373 4.867 30 10 IJEE CCn1cc([C@H](C)NCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)cn1 1559835194 CZCYSSPZXQWYHZ-DOTOQJQBSA-N 427.618 4.667 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 1561546375 RWWJIDAWWVTSKN-OAQYLSRUSA-N 439.499 4.504 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 1584863033 AVVRCUFPQQYTKN-QHCPKHFHSA-N 445.563 4.512 30 10 IJEE C=CCc1cc(C(=O)Nc2nc(Br)cc3ccccc23)cc(OC)c1OC 1585854731 PLMAHQBYBHMHKH-UHFFFAOYSA-N 427.298 4.995 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](C)C1 1589036585 LOCCIWWRVQRTGT-FQEVSTJZSA-N 426.630 4.973 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1589070615 VFNYYZUUBQKVRV-QGZVFWFLSA-N 433.021 4.544 30 10 IJEE C=C(Br)Cn1c(N2CC[C@H](CCOC)C2)nnc1C1(c2ccccc2)CCC1 1589459641 AKYNBCWDEMHVRT-GOSISDBHSA-N 445.405 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)nn(C)c1C 1589600087 VKEDMXNICPVQEB-GOSISDBHSA-N 442.995 4.873 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1593894713 DYYNDYWAPWUPIE-APWZRJJASA-N 441.790 4.650 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C1CCN(CCC)CC1 1593914119 BPJIXFOMXNJKTN-UHFFFAOYSA-N 432.012 4.537 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2ccccc2C)nnc1[C@]1(OC(C)C)CCOC1 1593932577 KRSQNCRDUHSION-OFNKIYASSA-N 430.980 4.721 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1594409293 VJSRNLAHJMDNMT-WIOPSUGQSA-N 438.616 4.753 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1csc(CC)n1 1594624736 AIZVCSXDXVGFRP-FQEVSTJZSA-N 439.585 4.802 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1594646297 VJDLKJQTUANGPT-HSZRJFAPSA-N 426.561 4.524 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1594704075 RJVHGSQRSNEDRK-RTBURBONSA-N 428.602 4.793 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1595196358 PTGFCYGLXYMMNY-NRFANRHFSA-N 449.599 4.913 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cccc(C#N)c2Br)c1 1598029502 GOHDHACSBSYFJG-UHFFFAOYSA-N 430.302 4.849 30 10 IJEE C#CCOCSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1Cl 1613269649 IBILBJIWTSWCFS-UHFFFAOYSA-N 449.757 4.560 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H](C)N1CCCCC1 1613458825 CXZVFCUPQUPWJA-ZJSXRUAMSA-N 434.632 4.824 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](OC)C(C)(C)C 1613822693 DRBRBWIORRFARF-SQJMNOBHSA-N 439.604 4.611 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 1620605785 AEMYWQASTVMWAX-DVECYGJZSA-N 447.645 4.517 30 10 IJEE C=CCCC1(CNS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)CCCC1 1622347774 SWFXZPGJDKOQHT-IBGZPJMESA-N 426.420 4.752 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 1623521955 FDGGNUIJUQUXSA-UHFFFAOYSA-N 427.386 4.585 30 10 IJEE CCCOc1ccc(CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c(OC(F)F)c1 1625391374 AUEOAVNXKPFGMR-UHFFFAOYSA-N 432.471 4.645 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 1626379588 GIWDRVKDZLDURH-UHFFFAOYSA-N 426.501 4.721 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 1629419064 BBNXIESOZBROFK-RUZDIDTESA-N 425.532 4.532 30 10 IJEE C#CCSCCNC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1634050808 BBJNTXLANHBFLZ-UHFFFAOYSA-N 438.405 4.858 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccccc1OCc1ccccc1 1634193040 BAHWBSFADKPDMG-RPWUZVMVSA-N 426.516 4.943 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 1636892849 WHLBVIJPOVMSOF-QUCCMNQESA-N 440.506 4.799 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC1CCC1 1636922546 SGFVWGNDLMNUQX-QFIPXVFZSA-N 440.927 4.637 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NCc2nc(C)cs2)c1)c1ccc(Br)cc1 1637662898 JTWGLILUBMKHGT-IBGZPJMESA-N 440.366 4.930 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Br)ccc1C 1640616034 WMTAEVMVSYWHIG-QGZVFWFLSA-N 425.367 4.623 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 1643543332 OIKCORORANZNTH-ZWUNQBBJSA-N 428.532 4.787 30 10 IJEE C=CC[C@]1(C(=O)NCC(=O)c2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1643556210 ASPBEFNTQCMDEL-OAQYLSRUSA-N 441.355 4.638 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(C)c1-c1cccc(OC)c1 1648287973 YZUXYQNTEZUBMJ-SFHVURJKSA-N 428.533 4.582 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc(CNc3cc(F)cc(C#N)c3)cc2OC)cc1 1651427509 AJGPSXHRFREUSI-UHFFFAOYSA-N 449.482 4.734 30 10 IJEE COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1ccc(C#N)cc1OC(F)F 1652880382 CHSCNIWNKVVARG-QGZVFWFLSA-N 429.250 4.813 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@@H](c2cccc(C#N)c2)C1 1653156915 CJLBMCNFHWPFEW-ORAYPTAESA-N 437.849 4.631 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)c1ccccc1 1654690331 QRKFHWVBWWACPF-KRWDZBQOSA-N 428.337 4.766 30 10 IJEE COc1cc(Br)c(CNc2ccn(-c3ccc(Cl)cc3C#N)n2)c(OC)c1 1657010958 HGYPQELZXQXJQJ-UHFFFAOYSA-N 447.720 4.789 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1658658798 ANINKAJGTJKTQC-HXUWFJFHSA-N 444.576 4.941 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)c1ccc(F)c(F)c1 1662886497 CIXVAVVBBGFILE-SFHVURJKSA-N 447.862 4.530 30 10 IJEE N#CCc1ccc(S(=O)(=O)NC2(c3ccccc3Br)CCCCC2)cc1 1663935939 GOYBCRIXBQEBJI-UHFFFAOYSA-N 433.371 4.653 30 10 IJEE C#Cc1ccc(NC(=O)NCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c(Cl)c1 1664989396 FHACRSVDCQEZHA-UHFFFAOYSA-N 439.943 4.936 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc(OC)c1OC 1669036297 JHMLAACQLKODSH-IBGZPJMESA-N 444.400 4.813 30 10 IJEE C#Cc1ccc(NC(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c(Cl)c1 1673382326 YWLRDIIXINFIFT-SFHVURJKSA-N 445.268 4.975 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1673507654 CNAFROZZZJCEQR-BHDDXSALSA-N 440.588 4.515 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1)C(C)C 1675580305 FQAORPVBHIZKKZ-HXUWFJFHSA-N 444.670 4.946 30 10 IJEE COc1cc([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)ccc1OCc1ccccc1 1677342432 ALVAKJMSPVXDJG-IBGZPJMESA-N 429.520 4.749 30 10 IJEE C#CC[C@@H](NC(=O)NCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 1679190880 NKGGPQKLNYSAQC-XZOQPEGZSA-N 435.568 4.576 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 1681942361 LGOVPSOHHFXKQX-TZIWHRDSSA-N 434.458 4.856 30 10 IJEE C#CC1CCN(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)CC1 1685392502 TVXYMQLMFBSVRU-UHFFFAOYSA-N 444.432 4.714 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 1686184626 MTUOUYPYPCHNEO-JOCHJYFZSA-N 434.337 4.609 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cccnc1OC 1689831589 NLCZFHSHOYTQPW-CQSZACIVSA-N 437.956 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCc1sccc1C 1689837767 MSRYSSKDDAZUQU-HNNXBMFYSA-N 429.387 4.778 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(Cn2cccn2)CC1 1689877110 QIXTTWRZXOTRBJ-XMMPIXPASA-N 430.600 4.737 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC=C(C)C1 1689901112 BQPDPINYIFFAOM-UHFFFAOYSA-N 429.362 4.580 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1689917603 AEMBPHWCEDHDQR-HNNXBMFYSA-N 441.295 4.900 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1CC1CCC(F)(F)CC1 1690055394 UERAMJOGHAKRLO-UHFFFAOYSA-N 440.538 4.708 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(COC(C)(C)C)on1 1690059118 JQAVTCQMFCRJCH-JOCHJYFZSA-N 435.572 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCCn1ccnc1C 1690214686 RZKIOEDCBIIHRX-RUZDIDTESA-N 448.640 4.856 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1690236196 JNIPWJHWXSXSRH-HTDNTCHWSA-N 437.632 4.878 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc2ccccc2[nH]1 1690276180 NTUURTXSJRJXKR-UHFFFAOYSA-N 439.361 4.740 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccc(F)c1)C1CC1 1690305729 GOLQCVFHIWRPHN-UHFFFAOYSA-N 441.938 4.894 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1C(C)(C)C)c1ccccc1 1690446775 FQLJMXJLYOQBLD-YADHBBJMSA-N 435.616 4.527 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCCCC1 1690500591 ZXAWPJFJHXLLGI-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=CCCOCCn1c(N2CCSc3c([nH]c4ccccc34)C2)nnc1C(C)(C)C 1690511786 ADMLUWJLTUOLLG-UHFFFAOYSA-N 425.602 4.762 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@]1(C)OCCc2sccc21 1690605737 VJKFBSXYWJIIJA-QHCPKHFHSA-N 426.586 4.779 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1705519067 XICLPOQJHSQLQD-RDPSFJRHSA-N 429.568 4.664 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CCCCC1 1705531997 CPDVWFMOOVTQPQ-FQEVSTJZSA-N 443.636 4.965 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C2CC2)CCC1 1705606692 CQCQVZNGKLBXKK-UHFFFAOYSA-N 443.389 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1cccnc1)C(C)C 1705670110 ITDZAJYYLRJMFU-ZEQKJWHPSA-N 429.568 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCS[C@@H](CC)C1 1705697179 SSVJNIQCCIQUFQ-FKBYEOEOSA-N 426.630 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705703627 VJEUFPVDERSVEG-NWSQWKLXSA-N 442.579 4.565 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705723287 JMLLBAJQTBXDQK-YADHBBJMSA-N 442.604 4.957 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](SC)C1 1705739977 YBTAYRBCSXDSBU-JOCHJYFZSA-N 444.645 4.789 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2Cl)CC1 1705806788 MHJQTQIIQAMBNA-NRFANRHFSA-N 429.996 4.856 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(C)OCCc2sccc21 1705834052 CGVBTNRYLCGLEP-WAIKUNEKSA-N 442.560 4.729 30 10 IJEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cscc1C(F)(F)F 1705844266 YUTXOSBMGFMFGI-KRWDZBQOSA-N 436.459 4.541 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](OC)C(C)C)C1 1705920149 RHHWSESOOLJEKS-FCHUYYIVSA-N 426.605 4.695 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCOC1CCCCCC1 1722302500 JATXJVVHBBVBQM-IBGZPJMESA-N 442.629 4.776 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1722303515 PIDYCUQVBVFSRJ-RTBURBONSA-N 446.064 4.802 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ncc(Cl)n1C 1722314668 ODTFLOMHEPNBSB-UHFFFAOYSA-N 435.334 4.564 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2nccs2)C1 1722326188 FTEPWYBBBAYQGP-QGZVFWFLSA-N 448.379 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCNc1ncc(Cl)cc1Cl 1722470738 XCKLDFIQDKTBOS-OAQYLSRUSA-N 445.354 4.653 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCc2ccccc2[C@H]1C 1722487164 LBMSSXVNXFOTMS-CQSZACIVSA-N 444.402 4.666 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C)c1 1722511492 ZWLXCBSUDXTJDX-NZQKXSOJSA-N 437.613 4.560 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1722519529 JZXLNVBNOIUPGV-VQTJNVASSA-N 438.576 4.520 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722548250 XWPGLJRWGGLQAM-YJBOKZPZSA-N 427.763 4.726 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1722558872 BMHHENMENJHFSC-SFHVURJKSA-N 429.515 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1722586243 ADRRFKKSNNAZHT-UHFFFAOYSA-N 430.600 4.886 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1722595969 AAQYNYFXXBPLAP-WIYYLYMNSA-N 447.549 4.663 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1722597005 PRDBSYUAHHHUTP-QHCPKHFHSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722597027 FAGXKXWTMONOPQ-DENIHFKCSA-N 426.605 4.839 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1722602117 QCQAOYGRXMXUFJ-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1csc(Br)c1 1722603999 RSTTTZKGLSVQIO-OAHLLOKOSA-N 425.396 4.599 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1722652013 YNXLYFMPRANAHU-LAUBAEHRSA-N 429.634 4.630 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCC[C@@H]1C 1722667640 HHIKXBVZWAXESZ-HTAPYJJXSA-N 445.405 4.746 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCn2ccnc2C1 1722668503 ZOGJRLDNJBNDAM-VXKWHMMOSA-N 446.599 4.672 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCc2sccc2C1 1722742438 TZGISXNOKOAMEH-UHFFFAOYSA-N 431.656 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCO[C@@H]1CCCC[C@@H]1C 1740558670 GQTNCFTTXJYUQG-SLFFLAALSA-N 442.629 4.632 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCc2cccnc21 1740599464 BCRUUIXXBGBEJP-IRLDBZIGSA-N 429.568 4.619 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@H](C)C1 1740647195 KDIMBLQRQCMHLE-IRXDYDNUSA-N 443.364 4.746 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740678546 FCDKVNTYZJWDCF-WOVHNISZSA-N 438.591 4.587 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740757691 RAEPFSHZFIPWMM-DHTSOJEISA-N 442.579 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](F)C1 1740776897 FWAQFGKLBJRESP-QYZOEREBSA-N 435.588 4.891 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCOC[C@@H]1C 1740788910 ZASIMFGPSZSHRK-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=C(Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1740800016 DAKJYHKJLIGNHN-JYFHCDHNSA-N 438.616 4.905 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1cccs1)c1ccccc1 1740853735 IJOPSIPDJDZWQA-TZIWHRDSSA-N 435.597 4.677 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740859648 OZVLAZRJTRQDAN-MOPGFXCFSA-N 446.661 4.857 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N(C)Cc1cc(OC)ccc1Br 1740872687 SAYLZJWNBSKJEV-UHFFFAOYSA-N 442.361 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)C1CCCCC1 1740894432 UEHGNFXRCJPYKU-OAQYLSRUSA-N 433.394 4.661 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@H]1C 1740920637 FAIDTOKEZFWGJJ-QUCCMNQESA-N 435.547 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC[C@](C)(O)c1ccccc1 1740921997 QGPXOWYSNJBRPK-VWLOTQADSA-N 445.592 4.892 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCC1=CCCCC1 1740924204 JUPRSTNZYWHJSY-UHFFFAOYSA-N 425.602 4.545 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCN2CCC)C1 1740975035 RDRFWSIBWNUWOU-FGZHOGPDSA-N 444.023 4.644 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCCS2)C1 1740984515 CYAYQAVLEQRQRR-FPOVZHCZSA-N 444.670 4.946 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(C(C)(C)C)CC1 1740996563 DGFDCVTUJUSFFV-UHFFFAOYSA-N 427.574 4.955 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCSC2)C1 1748724518 VMKXWHGPLIRXFX-QFIPXVFZSA-N 431.005 4.647 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1748889466 KVXLGORLPHAQQA-VQTJNVASSA-N 425.458 4.573 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1748892634 TXIWAJKMKAJKJX-UKILVPOCSA-N 445.655 4.630 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCc1csc(C(C)C)n1 1749060675 YUUVJEPTRPNFKR-XMMPIXPASA-N 435.597 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](COCC)C1 1749120828 HVWHMCNOVBOPKL-DWLFOUALSA-N 445.007 4.833 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749397339 VXILIKNHKIRILK-LJQANCHMSA-N 434.588 4.525 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1749414708 GGQCAHURVVSROF-NRFANRHFSA-N 431.378 4.681 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cccc(Br)n1 1749467161 IFQYWZZNWDNDMH-UHFFFAOYSA-N 449.356 4.630 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc2c(c1)COCC2 1749473326 FGERZTKXDJDTAX-UHFFFAOYSA-N 445.386 4.512 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCOc1ncccc1Cl 1749502229 SZFPIUBSOOFWTK-UHFFFAOYSA-N 429.977 4.628 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(SC)CCC2)C1 1749697465 KQMLWCCGIMUSIE-MSOLQXFVSA-N 446.592 4.624 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCSC(F)(F)F 1751261155 COTFICHCMYOAPW-OLZOCXBDSA-N 431.459 4.549 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760151336 YNSRIDLFEGUPIJ-QGZVFWFLSA-N 438.963 4.902 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760309003 YOQZSQCTNOPKSU-HNNXBMFYSA-N 438.439 4.924 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1760352932 BUOOBJYSUYVNLW-RTWAWAEBSA-N 425.602 4.520 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CSCCS2)CC1 1760397250 PHGYOXWBYTYHAJ-WMZOPIPTSA-N 448.633 4.808 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCCC[C@@H](COC)C1 1760413931 YZIYAXDEGLWBOE-HXUWFJFHSA-N 426.605 4.733 30 10 IJEE C=CCN(c1nnc(-c2ccc3ccccc3n2)n1CCSCC(F)(F)F)C1CC1 1760471823 KGGRJJXQCBXNMY-UHFFFAOYSA-N 433.503 4.944 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@@H]1C(C)C 1760479034 BZRLEHDSPLUNCT-ISKFKSNPSA-N 445.567 4.972 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H](O)C1 1760480375 SUUNEEIJYILGHJ-GGAORHGYSA-N 447.608 4.546 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCCN1CCC 1760481594 COVJXGWOEXPYOK-HSZRJFAPSA-N 432.616 4.741 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760482303 FXQMPHWCKTVSLV-JYFHCDHNSA-N 431.584 4.804 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCC[C@H]2CC)C1 1760538085 BIDVZGLXMWRVDC-YADHBBJMSA-N 444.023 4.644 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2=CCCCC2)C1 1760539889 XMPYAONDKJABHG-FQEVSTJZSA-N 443.389 4.989 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCSC(C)C 1762663194 BAIFMMSNTWTMMD-HSZRJFAPSA-N 427.618 4.691 30 10 IJEE C[C@H]1CCCN([C@@H](C)Cn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1 1762882827 BSANFHOLAKMWFP-SFTDATJTSA-N 446.643 4.861 30 10 IJEE CC(C)(C)c1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2/C=N\NC(N)=S)cc1 1857807060 SGUKSAKVTJLMEA-GATIEOLUSA-N 429.952 4.796 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)/C=C/c2cccc(OC(C)C)c2)cc1 1858874076 ZDTSVDFOCMUEBY-NTCAYCPXSA-N 434.536 4.976 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1 1859555196 BLKHRYXDPNZGKJ-UHFFFAOYSA-N 435.549 4.993 30 10 IJEE C=CCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(-c3cccc(OC(C)C)c3)[nH]c2c1 1861407019 MCHDBYHSYRDURO-QFIPXVFZSA-N 448.567 4.608 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Cl 1862433145 VQKNCXACOVDHOA-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C(C)C)cc1 1862468422 PBLRGGUMRKEEPT-IBGZPJMESA-N 428.326 4.998 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 1862475416 KYBHFMHNCJBUPO-GMAHTHKFSA-N 447.918 4.960 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862479676 NJCSNJFZGKJSOZ-GMAHTHKFSA-N 435.520 4.541 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccccc2Cl)ccc1F 1862503251 TZRCMMHBZVJISF-OAQYLSRUSA-N 444.934 4.708 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)ccc1F 1862509590 MAFYASONTGRLDQ-HSZRJFAPSA-N 436.527 4.751 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862589500 MIMZESBMAFCHNZ-DEOSSOPVSA-N 427.500 4.912 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862667213 VRCRDALCGZNORT-HXUWFJFHSA-N 431.891 4.827 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1863269613 LYOXQWVKIGWXBY-UHFFFAOYSA-N 446.510 4.783 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2Cl)=C(c2ccccc2F)C1=O 1863303987 ONRYFPVKXBRBCW-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2cccc3ccccc23)C1=O 1863583739 LUBWZXJOIUMHNL-UHFFFAOYSA-N 435.612 4.822 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(OCCC)cc2)C1=O 1863685080 ISIXBWJEUGCNGZ-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1cccc(F)c1 1864830477 LEXLFHDVUPLJGK-HXUWFJFHSA-N 442.579 4.683 30 10 IJEE CC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866779506 FNRXYUPWXIXEJA-RPWUZVMVSA-N 447.485 4.892 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870137743 YBHBYLSJBBTIRY-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1cc(C)ccc1C 1870884789 QGDRZPGCJHFUKT-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CNc1ccc(CCCC)cc1 1870949365 XIVPPVQJVTZTLG-UHFFFAOYSA-N 439.600 4.626 30 10 IJEE CCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(Br)ccc2OC)C3=O)C1 1871352513 NOLJQZNRBPCQBY-GRSHGNNSSA-N 444.325 4.944 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871798714 AUURRPRGZCIRNB-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(F)cc1 1872102942 IOKOZAMTYIEXBU-JOCHJYFZSA-N 443.544 4.681 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(OC)c(Cl)c1)S(=O)(=O)CCCC 1872344337 SSSKDFQEDJOGKY-LJQANCHMSA-N 445.025 4.710 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872431756 SOXDDBBDJWGPLT-FQEVSTJZSA-N 428.598 4.939 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccc(OC)c(Br)c3)[nH]c2c1 1873504383 UCPZTTIMGBTOBS-UHFFFAOYSA-N 426.314 4.815 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(N(C)C)cc1 1874243171 RBPUIAFJMKQZNJ-LFVJCYFKSA-N 439.585 4.706 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1/N=C/c1cccnc1 1874288440 FIXRIJUITBHETJ-VULFUBBASA-N 449.511 4.574 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccco2)c1 1874295884 ZERAISXNLDKXDB-OEAKJJBVSA-N 433.493 4.853 30 10 IJEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccnc1 1874344698 BDMPGVJIFULZLP-YZSQISJMSA-N 429.549 4.778 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cccc(Cl)c1 1874525459 OCVKBIMEGWVBAP-FSJBWODESA-N 427.961 4.724 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2CC(C)C)c1OCc1cccc(Cl)c1 1874559398 PNTCFHHFNALXRQ-FSJBWODESA-N 430.961 4.889 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)NC1CCCCC1 1874581171 AHCHHGNLDQFUQL-WYMLVPIESA-N 425.500 4.867 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)NCCC 1874614150 HOIPOBYHPTUUKZ-KPKJPENVSA-N 427.928 4.878 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1OC 1874694303 WASWPLMGLWRZGO-ACCUITESSA-N 448.471 4.836 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccc(F)cc2)c(OC)c1 1875117367 BZBWCEGSJWZACA-MDWZMJQESA-N 436.435 4.967 30 10 IJEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC 1875151636 VHPBPEOFFYRXHW-FNORWQNLSA-N 447.281 4.788 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1875158325 PYVNFTSGSHJWDB-SWGQDTFXSA-N 449.390 4.775 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)c(OCC)c1 1875177243 BKERUGBPGWMVEZ-YRNVUSSQSA-N 427.453 4.850 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1)c1ncccc1C#N 1891340063 ITMUXUQIVDLJJP-UHFFFAOYSA-N 426.520 4.734 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922077474 NYXYKFRLWXVRNR-OZXSUGGESA-N 440.584 4.992 30 10 IJEE C#Cc1ccc(C[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1951687430 HOTAJBCAHNRLES-MHZLTWQESA-N 425.484 4.592 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(I)c(Cl)c1 1995491036 DPSFUIVAOQDXFI-CQSZACIVSA-N 449.716 4.526 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017959369 UYYZQCQCSUFWHT-HZPDHXFCSA-N 436.557 4.852 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042191272 WIJXGOBRKBOJDO-SANMLTNESA-N 440.632 4.656 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NC 2047975620 FVCFSAQPCKNBOM-DLBZAZTESA-N 429.786 4.540 30 10 IJEE CCOc1ccc([C@H](CC)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080106236 VYAKZBRZPMWMQS-INIZCTEOSA-N 435.309 4.809 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)c1ccc(C#N)c(Br)c1F 2118150959 KHNXXXRENVKBQS-OCCSQVGLSA-N 426.330 4.542 30 10 IJEE C[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)[C@H]1CNC(=O)OC(C)(C)C 2118191907 KCTARTKJYIAABE-PXAZEXFGSA-N 426.330 4.589 30 10 IJEE C[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)[C@@H]1CNC(=O)OC(C)(C)C 2118191910 KCTARTKJYIAABE-YVEFUNNKSA-N 426.330 4.589 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 2159124063 FTCPBZXHQNJXTI-IRXDYDNUSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1c1cc(Br)cc(F)c1C#N 2174814317 GVZLRPZQFYZTAG-SJORKVTESA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CC1 2181100460 JLBWVWVTTDCQJA-HDJSIYSDSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2cc(Br)ccc2C#N)C(C)(C)C1 2181108749 WNILCFXGMCUASR-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181134746 KAHCRHKFKIUUCL-GUYCJALGSA-N 436.350 4.685 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C#Cc1ccc(Cl)cc1 2212453490 UVOHINKKUMOOJJ-WTOYTKOKSA-N 429.944 4.551 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)C1CC1 2235749705 MSXMPELZIKJZIU-RTBURBONSA-N 435.406 4.720 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCC[C@]1(C)CNC(=O)OC(C)(C)C 2258808369 YGORLSCBENMHSH-HDYLNDSGSA-N 446.632 4.574 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CC1(C)C 2296273086 NPAPBOMHQZSFBD-XMSQKQJNSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2ccc(Br)cc2)CCC2(CC2)CC1 2296274460 UGSTVWOJOJQKJI-SFHVURJKSA-N 434.374 4.779 30 10 IJEE CC(C)[C@@](NC(=O)OC(C)(C)C)([C@@H](N)C#Cc1ccc(Br)cc1)C(F)(F)F 2296303582 XUVLLGNBDVWGJV-MAUKXSAKSA-N 449.311 4.610 30 10 IJEE C=CCOc1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(C)C2=O)cc1Cl 2296373939 GVTWYRYXDIZVLO-UHFFFAOYSA-N 428.897 4.837 30 10 IJEE O=C(O)CCOc1ccccc1C=C1SC(=Nc2ccc(Cl)cc2Cl)NC1=O 2314933098 SQRJYXGHGFQYBF-UHFFFAOYSA-N 437.304 4.739 30 10 IJEE CC[C@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317356389 INRMXLDFKVGTDF-GOSISDBHSA-N 432.370 4.751 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(C)nnc1SCc1ccc([N+](=O)[O-])cc1 2325628019 WCOLDLBGYNBVHF-UHFFFAOYSA-N 433.493 4.831 30 10 IJEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2cc(OCCN3CCCCC3)ccc21 2325701051 GXMIFOWCVOLUFT-UHFFFAOYSA-N 441.911 4.687 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc(OC)c1O 2326382345 BHBSVVDSDSFWJD-UHFFFAOYSA-N 440.569 4.615 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(C)cc1 2329622536 CVKYNUPFFKCDEH-UHFFFAOYSA-N 428.945 4.834 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc[nH]1 2330538457 NQTCMEGPGWSHIH-UHFFFAOYSA-N 436.566 4.510 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)cc1 2330799835 INQGYGWJXNDZSE-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 2331016359 YKWFKINPMVBCFN-GOSISDBHSA-N 432.908 4.802 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1cc(C)ccc1C 2331282365 KNVMCLCFTODMMW-UHFFFAOYSA-N 436.581 4.823 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(COC)c1 2337139222 BHUXUVJUJSFOTO-ZWKOTPCHSA-N 427.383 4.716 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)C#Cc1cccs1 2338391709 XUPLPXALJDDLSU-QGZVFWFLSA-N 434.355 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2360196345 OWHOVAGIIQTECW-FUOQNJDISA-N 433.390 4.602 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccccc2OC(=O)c2cccc([N+](=O)[O-])c2)c1 34954444 VAYVCROBKPFCAA-BENRWUELSA-N 433.416 4.727 30 10 IJEE CCc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1 35443936 ALPPWQDBBSBOBM-SEPOPDPSSA-N 432.564 4.569 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 36627090 DMZHBPZHLKNPNK-AWEZNQCLSA-N 430.936 4.893 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2F)n[nH]1)c1ccccc1 59020540 CAVZZZPWFQTIRY-IWIPYMOSSA-N 432.912 4.554 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 59775472 LYXHCHSDMVTRFO-UHFFFAOYSA-N 432.471 4.558 30 10 IJEE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C1CCN(CCC#N)CC1 62039318 NEBOWAJYLFIKMG-UHFFFAOYSA-N 445.972 4.809 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921418 GEGMEHODBSPBNW-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CCCOc1c(OC)cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1OC 169935041 MJCAAKQRLWNBQN-NRFANRHFSA-N 440.565 4.511 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1cccc(C)c1 169941972 RAOGQBBQMUFSCE-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccn1)c1cccc(Cl)c1 169998439 NMGQYGGSHWLZMZ-OAQYLSRUSA-N 436.870 4.695 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1 170006889 YEYHHRLHTFWMFJ-NRFANRHFSA-N 434.879 4.917 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccccc1)c1ccc(F)cc1 170056389 QIOCWTIRUCQXKD-HXUWFJFHSA-N 431.398 4.624 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2F)c(C)c1 170071918 OVYQOQATGWDKDI-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccccc1F 170072112 XULJPCISSFZDQO-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(OC)cc1 170115823 DURABSHEMIHQHG-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccn1 170178441 FGHLOUFKNAXJPK-HSZRJFAPSA-N 441.531 4.861 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)cc1C 170184975 HGPRSEPDZTYFRS-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)ccc1Cl 170203303 CUQXCQFIRNUVRB-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3ccncc3)ccc2O1 170203883 IXCXFXAHLSHDSF-PEBXRYMYSA-N 446.890 4.841 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1ccccc1 170231665 JBWLGUIUSCHWDZ-QHCPKHFHSA-N 437.536 4.742 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(Cl)cc1 170234990 ZCUVNSRNTKGYCF-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccccc1F 170251890 LFGXSWHGDOTBBX-QFIPXVFZSA-N 441.499 4.573 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 170389302 CKAIYNBMHICYSA-NRFANRHFSA-N 448.406 4.531 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)cnn1CCC 406922736 JTQHKGHCFZQUJF-JKSUJKDBSA-N 429.403 4.566 30 10 IJEE Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s2)cc1 503129729 DQWSQLAXSZQMID-QMHKHESXSA-N 427.570 4.866 30 10 IJEE COc1cc(C)cc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 503135144 IDKDFRSZSZEWPO-JOCHJYFZSA-N 447.922 4.567 30 10 IJEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc(OC)c1OC 526515549 JMXWVXXBUXEQKE-OAQYLSRUSA-N 448.500 4.703 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])s2)c1 526606779 OPTKJKZMVUBEFF-OAQYLSRUSA-N 447.472 4.984 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 535660333 BLLKUHNQYLXUAG-OAHLLOKOSA-N 430.595 4.817 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1OC 540066334 SBOCWSHPQXHWGI-GHTZIAJQSA-N 432.358 4.890 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 559024232 DMFHYAUHAJQSNU-MBSDFSHPSA-N 434.540 4.505 30 10 IJEE C=CCN(C(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1nc(C(=O)OCC)cs1 571252566 QZSSVSJLICYPAO-UHFFFAOYSA-N 445.447 4.618 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 608875429 XQBGDODTMZMFFC-QFIPXVFZSA-N 448.910 4.901 30 10 IJEE N#Cc1cccc(CC(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 610521640 FQUMBXPTAOHPIQ-RUZDIDTESA-N 444.579 4.816 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 685551481 GIHXRFFYYATBNA-SANMLTNESA-N 448.542 4.856 30 10 IJEE C/C(=C/C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 742606374 JFLAFWDILPXHPY-SZJVNEJHSA-N 445.466 4.521 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 802600379 OBUKYDZAYFKWCV-INIZCTEOSA-N 428.993 4.973 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C)c1ccc(Cl)cc1F 804423289 LCAJKJOFVZVZRI-NOXFTYBFSA-N 437.902 4.542 30 10 IJEE O=C1C(=Nc2cccc(F)c2)c2ccccc2N1CN1CCN(c2cccc(Cl)c2)CC1 1083955309 CPUXDXBUTASWOP-UHFFFAOYSA-N 448.929 4.726 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3cccs3)n2)cc1 1084382396 ZKAKQZNZELRMFU-CYBMUJFWSA-N 428.587 4.947 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)cc(OC)c1OC 1125544552 MLRGLZJANSDMME-UHFFFAOYSA-N 445.515 4.602 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3sc(C(=O)OCC)c(C)c3s2)c(OC)c1 1130652928 RFNGIXPKGYVRGP-UHFFFAOYSA-N 446.550 4.598 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(C(C)=O)c3ccccc32)cc1OC 1178195961 JRGIZIYEBIJCIM-LJQANCHMSA-N 445.357 4.610 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(Br)cc3Cl)CC2)c1 1187354484 CVPCYACQGPWRRJ-UHFFFAOYSA-N 447.764 4.760 30 10 IJEE C=CCN(CCC#N)CC(=O)Nc1sc(Cl)c(-c2ccccc2)c1C(=O)OCC 1194624265 COXPMJGREBTLSC-UHFFFAOYSA-N 431.945 4.585 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 1199047340 AHVJHUQUYTTWNE-VWNXMTODSA-N 432.568 4.864 30 10 IJEE CC(C)O[C@@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1(C)C 1215091276 ALNVRGDFVUKTJT-FCHUYYIVSA-N 425.504 4.990 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1230488772 CRUCHIYCSOLEAG-LJFZDNNRSA-N 445.991 4.741 30 10 IJEE C#CCOc1ccc(COC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1268853995 QXABFJKUQKETPS-UHFFFAOYSA-N 432.316 4.858 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1286316411 IJXMCRJKPZFLCA-XMSQKQJNSA-N 431.565 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)c1ncc(C)s1 1286422277 XMKQYPKRAAXVCQ-QGZVFWFLSA-N 429.549 4.723 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1286660434 LCQQEUBHNAQNSM-UHFFFAOYSA-N 442.917 4.792 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1286679664 SGALMIFWFQJYLQ-HSZRJFAPSA-N 437.632 4.579 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCC2(C1)OCCO2 1286681021 IAQGJLBRLUJHOG-IBGZPJMESA-N 428.552 4.810 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](COC)C1 1286682874 WUQIKRZVIXQGBL-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286695621 DJGSBVFNFXCVCV-WOJBJXKFSA-N 441.620 4.626 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1coc(-c2cccs2)n1 1286728901 KBARAIRUSPFSIX-SJLPKXTDSA-N 427.574 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@](C)(OC)C1CC1 1286753024 REYRCKOOKIKLLI-NRFANRHFSA-N 449.368 4.840 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2cccs2)C1 1286804669 LPYHIJWTHHGZTI-OAHLLOKOSA-N 445.386 4.599 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2c(C)coc2C)C1 1286811735 FEOBVWSFHIVQIU-QFIPXVFZSA-N 436.556 4.513 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1286822171 BSJKSIBEJIIIEZ-MJGOQNOKSA-N 430.593 4.949 30 10 IJEE CC(=O)c1cccc(OCc2cc(C(=O)Nc3sc4c(c3C#N)C(C)(C)CC4)no2)c1 1289131053 WHHCZTIZQMGPQC-UHFFFAOYSA-N 435.505 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCC1(F)CCC1 1300797699 HBUILILYFXDCBC-HXUWFJFHSA-N 431.353 4.982 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(C)(C#N)CC1 1300896985 MMZSKUKPFHBHEI-XUZZJYLKSA-N 449.599 4.531 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1300936683 HWKCFUFLDWABJZ-LJQANCHMSA-N 431.378 4.679 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(Cc1ccnn1C)C1CC1 1301027490 RUZQNTGWDZNRED-UHFFFAOYSA-N 437.762 4.907 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ncc(CC)s2)CC1 1301066001 LRWSMZGYSOPKGU-KRWDZBQOSA-N 441.576 4.975 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1301072545 LBWKIXGFCPOVTD-QAPCUYQASA-N 449.418 4.907 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C)CC1 1301153701 ABRWQDMOUGWNPA-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(F)(F)F)CC1 1301241838 XKHWCAFQTZDQPU-UHFFFAOYSA-N 438.494 4.715 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1301260335 XJTGBVIKNMXSEU-SPEDKVCISA-N 430.543 4.755 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1301333739 ADKVZVCWMMRYHZ-CEMLEFRQSA-N 443.680 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)CN1CCCC1 1301363204 PUJLJLCAGMQVCJ-NRFANRHFSA-N 443.661 4.896 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2ccccc2OC)CC1 1302887071 ZTWUOWRJQJTSRW-MJGOQNOKSA-N 436.980 4.827 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2Cl)nc2sc(C)c(C)c2c1=O 1307258925 KDKHJYBHHLRCFD-UHFFFAOYSA-N 434.970 4.993 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1OCC 1308185359 MHTATNPDDBMLGF-HXUWFJFHSA-N 445.401 4.777 30 10 IJEE COc1ccc2cc(CN(C)S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)ccc2c1 1309039087 FEYLCRZGEFGZQK-UHFFFAOYSA-N 434.439 4.560 30 10 IJEE COc1c(Cl)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1Cl 1357867690 GCGDIJBGBFHKFK-LLVKDONJSA-N 438.698 4.519 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC[C@H](C)C1 1358874735 BYJOBWXWOALDDV-UNMCSNQZSA-N 444.627 4.772 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)c1ncc(C)s1 1359000607 AIDKPOOGDVDTFJ-DOTOQJQBSA-N 427.549 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCSC1 1359066987 WZOYTZXOUJLHGY-HRAATJIYSA-N 445.430 4.761 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H](C)[C@H]1CC 1359087409 DVZXAKQONLCTGI-DOTOQJQBSA-N 449.393 4.789 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CC)C1 1359094610 CUESSJHRWPYQGZ-NOXFTYBFSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ncc(CC)s1 1359115948 SGOWEFZEUNXCRE-UHFFFAOYSA-N 425.602 4.944 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1359179923 KZIYRYWANOIQQQ-JPYJTQIMSA-N 430.543 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1359184932 GBOQDAGJVBOUCV-NRFANRHFSA-N 448.615 4.552 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 1359192594 JQHUYLDIXXNCLA-YMPZKCBVSA-N 435.616 4.889 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359209458 OHTXGKMERYKMCE-UHFFFAOYSA-N 445.036 4.568 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCN1CC)C1CC1 1359247251 XENCRAOWMHBJLN-FQEVSTJZSA-N 444.421 4.737 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 1359248691 YLDKWCRCSKSBNG-WMLDXEAASA-N 449.368 4.553 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2SC)C1 1359324971 VNIBRJKUIRYPEL-OAQYLSRUSA-N 426.630 4.871 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@](C)(O)c2ccsc2)c2ccccc2n1 1361044882 HNBMTZCLEGLJHD-MZNJEOGPSA-N 446.580 4.509 30 10 IJEE CC(C)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2Oc2ccccc2C#N)c1 1436238047 AMDRKHWVZSPRSV-UHFFFAOYSA-N 435.501 4.890 30 10 IJEE C#CC[C@]1(C(=O)OCc2cc(F)c(C(F)(F)F)c(F)c2)CCCN1C(=O)OC(C)(C)C 1439486517 PMXMSZZYIOYHGB-HXUWFJFHSA-N 447.400 4.820 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(Br)ccc(C)c3[nH]2)cc(OC)c1OC 1442517030 INQGJPRDRUQVOD-UHFFFAOYSA-N 443.341 4.915 30 10 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C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCN1CC 1690257385 HIXKTAYRNGHGCH-LJQANCHMSA-N 432.410 4.594 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)CCC(C)C 1690304428 BLNRRVNPSZUVCK-UHFFFAOYSA-N 427.412 4.844 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1690309470 AQEKVYQDAPLXDE-QGZVFWFLSA-N 439.510 4.643 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1690412550 VRGNPDGCKKXPFJ-VWLOTQADSA-N 438.547 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1690434849 JBWBFQXDMMOVGI-OAQYLSRUSA-N 426.580 4.863 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C(C)(C)C1 1690461360 YNRSIYMGJKWIMZ-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1Cc1cccc(COCC(F)(F)F)c1)C1CC1 1690542457 PIWLCFVRHNICSJ-UHFFFAOYSA-N 445.489 4.566 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1Cc1ncccc1N(C)C 1690559842 LEYWMBCTUWUYSL-UHFFFAOYSA-N 441.583 4.509 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@@H]1CCO[C@@H](C)C1 1705484705 UQMDDDOXARVYOO-PCCBWWKXSA-N 448.567 4.780 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H](c1cccs1)N1CCCC1 1705503550 YHBXCJQWODJZPD-IFMALSPDSA-N 449.624 4.522 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705557012 OGNUWLYUZRGXTD-ACDBMABISA-N 445.007 4.525 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CCc1ccc(Br)s1 1705620092 LEZQRPSHGBWMAG-UHFFFAOYSA-N 447.377 4.686 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCOCC(C)C 1705678125 OXDJWOYYUWPOMD-XMMPIXPASA-N 426.630 4.934 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1705785164 YHZTZJYLPLFPFU-XUZZJYLKSA-N 428.552 4.746 30 10 IJEE C=CCCCn1c(N(C)CCc2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705823243 GHSPMEVFBXTUKK-HDICACEKSA-N 445.633 4.755 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCN1CCCCCC1 1705856058 DHXNADRMOSVJCK-UHFFFAOYSA-N 425.621 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)CC 1705865370 KZRFIUFTVULGHE-XMMPIXPASA-N 435.597 4.852 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)cc1 1705879456 ZHJGBVGYUSQHJC-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1cccc(C(F)(F)F)n1 1722393422 BNZNZWKEWNGAII-UHFFFAOYSA-N 443.860 4.524 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1722451117 GGETWMJPKQJLQZ-MSOLQXFVSA-N 430.593 4.796 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCn2nc(C)cc2C)CC1 1722568732 XOXGZALWWXPMEG-UHFFFAOYSA-N 434.588 4.534 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1722578508 PFLCZYZZIGHUNP-LJQANCHMSA-N 433.556 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(CO)CC1 1722587688 XFKLPJSSECRFAE-UHFFFAOYSA-N 433.394 4.519 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722603315 IHLASCGYGFLEMQ-QGZVFWFLSA-N 442.589 4.613 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)s1 1722659143 OYHDDBSTIFFERF-UNMCSNQZSA-N 438.597 4.613 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(=C)C 1722663820 IZYWIPASUDGROJ-JBACZVJFSA-N 428.602 4.755 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)C1 1729263923 CZFGAWFOBCWPBL-PKOBYXMFSA-N 449.571 4.884 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCCC2)C1 1740567038 GBMUNRLCARAVEA-LJQANCHMSA-N 426.536 4.510 30 10 IJEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1740672869 XPJQVWUWHDZEKI-ZJSXRUAMSA-N 449.624 4.570 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1740674286 BDBZKKODMJJZRF-QFIPXVFZSA-N 449.624 4.524 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1740709796 RHGLEMWZFCYXJH-QGZVFWFLSA-N 439.398 4.677 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1740718059 GYIMALURLZENOV-HXUWFJFHSA-N 431.005 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)CC(C)C 1740766898 LLLJZZMAQPEODL-AVRDEDQJSA-N 430.618 4.652 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740786121 QPZNDNZZMSVCLB-UFYCRDLUSA-N 429.609 4.943 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740881763 PXCQIGCXCODCAC-UHFFFAOYSA-N 441.645 4.540 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](c1ccco1)N1CCCC1 1740891827 KGPXLBSHIIRVPG-AZUAARDMSA-N 439.535 4.610 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740919447 GTIAGALOVYORGM-WHSBFGAESA-N 437.632 4.833 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)SC)C1 1740975791 QJDGIEAPJSXFHG-DZGCQCFKSA-N 427.401 4.785 30 10 IJEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)Cc1ccc(Cl)s1 1748751639 JEKPRCPUXHBYSM-LJQANCHMSA-N 442.972 4.945 30 10 IJEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)Cc1cccs1 1749036535 CTOLAZNQFQIOAO-IBGZPJMESA-N 449.624 4.948 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749184074 CLKASDDLPBYIQP-UHFFFAOYSA-N 428.993 4.575 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)C2CCCCC2)CC1 1749317958 YAMVYPLFKJTAEM-FGZHOGPDSA-N 429.653 4.618 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(COC)CCC2)CC1 1749334735 LZQTYMMCYYSRGM-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1749403707 INYUPHOYDNAQFJ-OAQYLSRUSA-N 449.624 4.776 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccc(F)cc1 1749473309 FAELVKMCGVQFOP-DEOSSOPVSA-N 440.588 4.945 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1749744752 PHEOTXPFJMATAV-HXUWFJFHSA-N 435.037 4.924 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CSCCS1 1760105057 ALSLINQYUDCHSS-JSGCOSHPSA-N 427.426 4.558 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(C)C)C1 1760129640 UJDAVIHHRZDAGK-FQEVSTJZSA-N 442.007 4.537 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1sc(C)nc1C 1760228063 UPVZFTUSSXUTAD-INIZCTEOSA-N 444.004 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)C1CC1 1760317179 BNVVROALPRQKTR-GUYCJALGSA-N 437.407 4.739 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cc(C)cs1 1760323894 GOYPCGJGRRAMEP-XXBNENTESA-N 440.588 4.996 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1-n1ccnc1 1760330867 FCBKAQQIITWDNC-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1760340702 KSLLZRMQADNZLG-XUZZJYLKSA-N 426.605 4.937 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1760377445 CAGQYPKMEZDTMI-UHFFFAOYSA-N 443.016 4.505 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1760398513 BBWDRDKUZICONP-HXUWFJFHSA-N 441.526 4.830 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(CC)CC)cc2)CC1 1760403585 YZAMKJOLUONQDX-UHFFFAOYSA-N 430.600 4.561 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1760484606 FDNDUJHBFYRAPG-SQJMNOBHSA-N 447.558 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccc1F 1760491033 QVFAPYRWLXETBY-UHFFFAOYSA-N 430.325 4.596 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](CN2CCCCC2)C1 1760532143 LYUVIEOARKSRRT-FCHUYYIVSA-N 437.632 4.717 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760533257 OKQCEQJHKKPAPB-FQEVSTJZSA-N 430.543 4.961 30 10 IJEE CCN(CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N)C(=O)OC(C)(C)C 1765229284 GYOUQDLXIQOYFP-MRXNPFEDSA-N 446.983 4.594 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccncc4)oc3c2)c(C#N)c1C 1859736295 VPHWAWQIWWINFO-UHFFFAOYSA-N 432.461 4.560 30 10 IJEE CC(=O)c1c(C)oc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)c1C#N 1859747989 BGODADUBMZETHM-UHFFFAOYSA-N 442.269 4.651 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1C 1860322667 ZHLBPIOCCYHRNN-UHFFFAOYSA-N 435.399 4.664 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 1861489108 IWZRWQBVCKOTLC-QHCPKHFHSA-N 426.557 4.652 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(O)c2)cc1 1862412025 UMRROKRPAQDFKC-QHCPKHFHSA-N 449.453 4.800 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862444830 IHPBRORPHDVPLR-NRFANRHFSA-N 435.863 4.530 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccc(F)cc2)cc1 1862517707 TXVZRSQWVNIJDR-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1c(Cl)cccc1Cl 1862562717 MFANFHPNDVZKDH-LJQANCHMSA-N 449.334 4.581 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862605169 NJMYPUVFARSOES-VWQFJMCTSA-N 447.531 4.923 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(Cl)c1 1862618248 RTRRNNOGVVRZSY-FQEVSTJZSA-N 427.928 4.862 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)c1 1862674575 PISBPCJKJASCAN-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675260 GBAWHXVZCQQIDO-NRFANRHFSA-N 444.934 4.789 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862688633 XSROQMJDSCPGHV-XMMPIXPASA-N 445.490 4.964 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1CCc1ccccc1 1862736816 OVSWAFOFHYEONT-HSZRJFAPSA-N 442.471 4.724 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1863180073 TYHOWTNGHBZISJ-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccccc2Cl)C1=O 1863778292 HCFJFBHXPCHSOW-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)nc1C 1865912077 ULVLIFNEVZZZJF-HMMYKYKNSA-N 434.517 4.982 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1 1868883902 AEQPUXZNMUECQQ-ZEQRLZLVSA-N 426.601 4.845 30 10 IJEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 1870110006 VBISEQVYFKGXSM-DTQAZKPQSA-N 449.514 4.737 30 10 IJEE CC(C)COc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)cc1 1870154075 KSOFDYLLHYDYPN-UHFFFAOYSA-N 430.295 4.733 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN(CCCC)CCCC 1870732633 PPXZWPUJMOVEBW-UHFFFAOYSA-N 443.563 4.593 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1cccc(Cl)c1 1871156200 RAMREUKSMDZVRA-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE C=CCn1nc(C(=O)Nc2ccc(Cl)cc2Cl)c(I)c1C 1871324208 PCFZDZDMRFPIFD-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(CCCCN(C)C)CO2 1871355048 OTEHYILBILRXOW-BKUYFWCQSA-N 426.944 4.758 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871365155 PPEWOPDQEDBQPN-JJFYIABZSA-N 431.419 4.928 30 10 IJEE O=C(O)/C=C/c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871381947 GQQVVLBAJBKXOJ-ONFJSNPYSA-N 430.387 4.759 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871966518 PBAODUGIOYGMCO-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871992252 WXROSDTULGZHSL-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1 1872764833 ZLTSEWFGYVPMLC-LDQXTDLNSA-N 445.544 4.605 30 10 IJEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)Cc3ccccc3OC)n2)cc1Cl 1872782447 JXMDXUOQYJLFBK-OAHLLOKOSA-N 442.924 4.908 30 10 IJEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCCOC(C)C)C1=O 1873048089 PEGYCAUAVLYWTQ-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(NCc3ccccc3F)ncnc21 1873637355 VOWRIOOTXSQXDF-UHFFFAOYSA-N 446.442 4.529 30 10 IJEE CCOc1c(/C=N/n2c(COc3ccccc3Cl)nnc2SCC)cccc1OC 1874267438 XUKFIUPTDWWGDS-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCCO)cc1 1874376963 XZAKGZOLZFZKFQ-KOEQRZSOSA-N 442.560 4.544 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1O 1874421179 YYEUAFHBZYQTAM-SSDVNMTOSA-N 426.498 4.731 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2-c2cccs2)cc1 1874425085 QRVURLVLUBZKPF-MFKUBSTISA-N 447.589 4.606 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccncc2)c1C 1874425912 HGGAKORFIXQQCK-CVKSISIWSA-N 442.548 4.570 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1OC 1874481556 BHTFCCWGNFDTRK-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)(C)C)c1 1874483956 WIBMTYMVKWOXPE-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)C)c1 1874511626 HOTFJHNXTROAPA-ZMOGYAJESA-N 441.532 4.552 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccccc1Cl 1874511787 ALOUJDUHSBSGRT-FSJBWODESA-N 427.961 4.976 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(F)c2)cccc1OC 1874582600 WKQXJNWYHBQUSA-ZRDIBKRKSA-N 443.515 4.766 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OC 1874633197 QBMJWOZKKMCZDL-RMKNXTFCSA-N 448.899 4.594 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3OC)c2)c(OC)c1 1874714517 ZTAKDQSAPHKGNZ-SDNWHVSQSA-N 432.472 4.757 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1OC 1875103486 AXNBNYMGGUYLHY-JXMROGBWSA-N 436.435 4.967 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1sccc1C#N 1888787447 GTXBGECILZVUNS-NRFANRHFSA-N 431.517 4.876 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3cccc4ccccc34)ccc21 1891217664 ZWUZATDYIVHHMP-UHFFFAOYSA-N 430.504 4.795 30 10 IJEE CN(c1ccnc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 1891530464 FYJNLCKXEQERQG-UHFFFAOYSA-N 449.370 4.999 30 10 IJEE C[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 1896151326 HEMUJTFUYMWTOQ-OAHLLOKOSA-N 446.345 4.920 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CC(C)(C)OC)NC(=O)OC(C)(C)C 1922092190 QIRIMTKNZRAHOM-YADHBBJMSA-N 434.621 4.836 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 1926489023 IDSXGMJFZAOVKD-MWTRTKDXSA-N 431.533 4.586 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949246974 LTBWUOBLQNGRAS-RUZDIDTESA-N 428.621 4.512 30 10 IJEE N#Cc1ccccc1[C@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952859735 UXUVIQUMGOATLD-NOZRDPDXSA-N 438.483 4.955 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2047971198 RBHFKAOKBBGDFT-SJORKVTESA-N 429.786 4.540 30 10 IJEE C=CCC1([C@H](N)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047972572 DTQAZDJACTUDLU-MRXNPFEDSA-N 429.786 4.786 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(CCC(F)(F)F)Cc3ccccc3)c2)OC1(C)C 2079010641 RKQMKSIJGDHPCG-UHFFFAOYSA-N 433.279 4.581 30 10 IJEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C)c(C=NO)c2I)c(C)c1 2079956851 HZTFYYPIQZARHQ-GOSISDBHSA-N 437.325 4.919 30 10 IJEE Cc1sc(Br)c(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1C 2101083062 FMHLUHYXPOLSED-ZDUSSCGKSA-N 428.201 4.826 30 10 IJEE CC1(C)OB(c2ccoc2CNc2cc(Cl)c(Br)cc2F)OC1(C)C 2101328886 MQWQHNXEPINYCW-UHFFFAOYSA-N 430.510 4.746 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNc2cc(Br)c(C#N)cc2F)C1 2105994754 GKACLPUCFLMPFS-GOSISDBHSA-N 430.293 4.611 30 10 IJEE C#CCN(C[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC)C(=O)OC(C)(C)C 2111272395 JSPIZEVZUORKMQ-MRXNPFEDSA-N 443.813 4.802 30 10 IJEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc(C#N)c(Br)c1F 2118199021 NLNRREBAYTVILZ-OLZOCXBDSA-N 426.330 4.589 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@]1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2124488517 BFMUILPCTQGGPS-FQEVSTJZSA-N 429.399 4.583 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2F)C12CCC2 2175032617 UZQANIYDVYULPL-DZGCQCFKSA-N 438.341 4.955 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181104284 XVVBCRUGMQASRU-NFAWXSAZSA-N 436.350 4.541 30 10 IJEE Cc1cc(Br)c(C(=O)Nc2cccc(C#N)n2)cc1NC(=O)OC(C)(C)C 2186501230 LGAOREQOQFCOSC-UHFFFAOYSA-N 431.290 4.624 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2cc(Cl)ccc2Br)C3)OC1(C)C 2194119950 DKTIOHLQWRFXSA-CWTRNNRKSA-N 440.574 4.801 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C 2235723162 DRTVZNHNCRCQDV-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](N)C#Cc1ccccc1Br)C1CCCCC1 2235726995 JRDPUHOSPRERRA-ICSRJNTNSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2235733216 ZTYXXXGLGWAYCC-DENIHFKCSA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2235747539 QSQYEDYLMUJTCX-YTQUADARSA-N 435.406 4.862 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2239649102 DSJPJKNFRVMRCA-PKOBYXMFSA-N 439.394 4.805 30 10 IJEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2267603932 BQAVKBVMVBGKBX-IBGZPJMESA-N 438.421 4.884 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1c(Br)cccc1C#N 2269736654 YSLGFJSIDANPND-CYBMUJFWSA-N 430.293 4.767 30 10 IJEE N#Cc1cccc(Br)c1N[C@@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2285188765 WMRKPZWCFISSKK-SIKLNZKXSA-N 426.358 4.556 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(CCF)CCCN1C(=O)OC(C)(C)C 2296228037 VIOJXXYYBCCONH-RXVVDRJESA-N 439.369 4.518 30 10 IJEE CC1(C)CC[C@](N)(C#Cc2cccc(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2296231604 GBONPJYIRRBVII-VGOFRKELSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@@H](O)C#Cc3ccc(Br)cc3)cc2C1 2296284742 UIZGAIBISVYKEG-KRWDZBQOSA-N 448.382 4.889 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2ccc(Br)cc2)CC(C(C)(C)C)C1 2296309066 QAGMEBKTAMZJAU-ASNBIDDJSA-N 435.406 4.848 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296310042 DOVPUPPCBSBJFC-GSEOLPGOSA-N 433.390 4.567 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)c1cnc(NC(=O)OC(C)(C)C)o1 2296311002 QNQBOLCWINTFJM-INIZCTEOSA-N 434.334 4.877 30 10 IJEE O=C1C(=CNCc2ccc(Cl)cc2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 2297378287 MBMBGQMVSBIUON-UHFFFAOYSA-N 444.965 4.565 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 2297745548 NNPMODGESVDNNE-DEOSSOPVSA-N 427.500 4.668 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(C)nnc1SCC(=O)Nc1ccccc1F 2321079983 PRZNTXGHWGYEMP-UHFFFAOYSA-N 449.511 4.500 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(S)nnc1CCCOc1ccc(C)cc1 2322166859 FNSUFAPHVSBQEE-UHFFFAOYSA-N 432.549 4.931 30 10 IJEE CCc1ccc(OCCCc2nnc(S)n2N=Cc2ccc(Br)cc2)cc1 2322217876 HQKANEXXIXLBHI-UHFFFAOYSA-N 445.386 4.786 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)NCc1ccco1 2322542262 MTQOMVXGAGHWMX-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)cc1C 2322667637 PERXMUXOZJJQDQ-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)NCc3ccccc3)c2)cc1Cl 2323310539 DCDNEYMOBJLOPT-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1cccc(OCC(=O)Nc2nccs2)c1 2323332162 CGZKAVVXAKMZSX-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(Br)cc2)cc1OC 2323580515 BNPIZROBKVSOTB-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325423699 KVXAQYDANSKMGE-OAHLLOKOSA-N 446.459 4.569 30 10 IJEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1 2326688956 ZBHKQLQRAGMKKW-UHFFFAOYSA-N 439.544 4.924 30 10 IJEE CC(C)COc1ccccc1C=Nn1cnnc1SCc1ccc(C(=O)OC(C)C)o1 2326858642 VNRAWNCCDDIQBT-UHFFFAOYSA-N 442.541 4.646 30 10 IJEE CCCOc1cccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCO)c1 2327797729 CULQUQCXEDPUBC-UHFFFAOYSA-N 446.576 4.778 30 10 IJEE O=C1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc4ccccc4c3)cc2Cl)=NN1 2330662023 FMVJOKSKWYAQKI-UHFFFAOYSA-N 432.863 4.561 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc(Cl)c1 2330833265 GDJMUKLDAKBBQF-UHFFFAOYSA-N 449.005 4.590 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1cc(Br)cc(OC2CC2)c1 2337521281 RFTHFEVWDHGVLJ-QZTJIDSGSA-N 425.367 4.850 30 10 IJEE C[C@H](CN(C(=O)OC(C)(C)C)C1CC1)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585256 MMZMDLLACBQBRT-TUQDCPSNSA-N 444.381 4.893 30 10 IJEE Cc1cc(CSc2ccc(N)cc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369738471 QQKIVRVLTGFGJL-UHFFFAOYSA-N 434.208 4.931 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/c2ccc(OC)cc2OC)C3=O)cc1 2102474 IAFDSUQXEQJRQI-BRJLIKDPSA-N 446.455 4.590 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4OC2)C3=O)cc1 2160707 ZLGMGRWGVAGWSH-LGJNPRDNSA-N 440.451 4.892 30 10 IJEE CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(C#N)cc2)c1C 15862506 PLCCITOIIASFNG-UHFFFAOYSA-N 445.519 4.531 30 10 IJEE C=CCOc1ccccc1CN1CCC[C@@H](c2ccnc(SCCN3CCCC3)n2)C1 19229499 JNAIEDNSUZGXDU-OAQYLSRUSA-N 438.641 4.609 30 10 IJEE O=C1/C(=C/NC2CCCCCC2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 20575909 AZXHXWHEJRJMJV-UYRXBGFRSA-N 434.558 4.574 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)c1 20833798 CGLJBXONNLQZTN-LSFURLLWSA-N 449.367 4.905 30 10 IJEE Cc1nn(C)c(C)c1CN/C(=N/C(=O)c1ccc(C(C)(C)C)cc1)Nc1ccc(F)cc1 32972331 WHSCNQZSYTVUFI-UHFFFAOYSA-N 435.547 4.872 30 10 IJEE COc1cc(OCc2ccccc2)c(C(=O)/C=C\c2ccc3c(c2)OCO3)c(OC)c1OC 33673050 CACSZGZCRHGOLP-LUAWRHEFSA-N 448.471 4.916 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1/N=C/c1ccc(Cl)cc1 38818058 QURRNAFCOGRBGG-JPCQLYNOSA-N 430.851 4.912 30 10 IJEE C=CCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 64656738 QJIXBPZKALDSNO-LJQANCHMSA-N 439.558 4.928 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1C 100221808 OXXLJUPUEIONCC-QHCPKHFHSA-N 444.616 4.790 30 10 IJEE CCCCCCCCCCCCCC(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 100443326 LBMSSKYVRFBZGZ-UHFFFAOYSA-N 441.663 4.848 30 10 IJEE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N[C@@H](C#N)c3ccc(F)cc3F)c2Cl)cc1 111219365 UFZROAGUIDMBCY-GLCJEOIMSA-N 440.881 4.874 30 10 IJEE COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)ccc1OCc1ccc(C)cc1 169906516 LTAUNYYTYWIUGX-MFKUBSTISA-N 438.549 4.512 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(C)cc1 169944687 LPPZNPXJCAFLSP-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OC(C)C)c1 169980043 JCTOLHRLJQJPEA-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)c1 170079101 UOYPHHSDYRUDOW-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2sccc2C)cc1 170107285 UIIMARNPOZEOMX-HXUWFJFHSA-N 426.582 4.539 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccc(OC)cc1 170116495 XPOXOASWZRGDMW-IBGZPJMESA-N 429.900 4.654 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccncc1)c1c[nH]c2ccccc12 170199490 XQXVVLCYMXJDNJ-OAQYLSRUSA-N 431.398 4.624 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC)cc2)c1 170409665 XZJNXUOTEVGNNL-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccco1 170422586 UEHAWEHXEJIVNU-GOSISDBHSA-N 429.259 4.760 30 10 IJEE COc1ccc(C(=O)/C=C\c2cccc(NC(=O)C(F)(F)F)c2)cc1CN1CCCC1 207537973 CVHXPCWMXZLRLU-CLFYSBASSA-N 432.442 4.688 30 10 IJEE N#Cc1c(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)[nH]2)sc2c1CCC2 253569349 MFLPOZGSJYISCY-UHFFFAOYSA-N 431.546 4.778 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 436342856 IRCQXWQURBEDHX-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE N#Cc1ccc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(OC(F)F)c1 437158256 XVJKOUHOVLAAAM-QGZVFWFLSA-N 428.414 4.728 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C 439220411 DTRHBYIRJYTZIQ-KRWDZBQOSA-N 430.512 4.983 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 460928534 PFHPOMMXUDTUGE-QFIPXVFZSA-N 429.524 4.752 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)c1cc(OC)cc(OC)c1 460953267 TUCBZMBETRODND-GOTSBHOMSA-N 434.540 4.885 30 10 IJEE C=CCC[C@H](NC(=O)C(=O)Nc1cccc2c1OCCC2)c1ccc(C(F)(F)F)cc1 467571400 XLOVOTXBCQWUSO-SFHVURJKSA-N 432.442 4.793 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])s2)c1 526517240 SSPHWKCJTAAFRX-FQEVSTJZSA-N 433.445 4.594 30 10 IJEE COc1ccc(OC)c([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526609562 VZIXNOWLSRLQHT-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(OC)ccc1OC 526826159 VEQIZRGJXCNQRQ-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](c2cccnc2)C2CC2)nnc1-c1ccc(Cl)cc1 535449588 DGCQBXMWPCNDCG-FQEVSTJZSA-N 439.972 4.539 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(C2CCOCC2)CC1 549218953 ILPTTZVRDNUHKQ-ZEQRLZLVSA-N 436.600 4.742 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(N2CCCCC2)CC1 559026620 TZVMSRFINWHCEB-ZEQRLZLVSA-N 435.616 4.554 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 578177173 DWRHKLQZFZXMCS-OAQYLSRUSA-N 425.540 4.595 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1cnn(C)c1C 580418102 DVIZVXVVPLPMIG-IBGZPJMESA-N 430.556 4.826 30 10 IJEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cc(OC)cc(OC)c2)cc1 586241133 ZIDFDLUNYWOYSL-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C=CCNC(=O)Nc1cccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c1 586637681 VTXJTPBJCVRQSN-AWEZNQCLSA-N 441.553 4.609 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)c(Br)c1 721357396 VREANAXMIVCPJR-XHDPSFHLSA-N 448.142 4.918 30 10 IJEE CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 748986411 DDULMKOZGLOMNI-UHFFFAOYSA-N 433.552 4.855 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 773600887 WUQCLIGTDYMPMR-UHFFFAOYSA-N 444.512 4.755 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(F)cc1 916209852 SLCCDWLLHHUYQE-GOSISDBHSA-N 447.919 4.634 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2scc(C)c2Cl)c(C(=O)OCC)c1C 1124756698 KWNBGPSZYCFMEI-UHFFFAOYSA-N 427.931 4.852 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)CCCN1C(=O)OC(C)(C)C 1126498679 WNHPHEICLAQUSY-TVZXLZGTSA-N 442.600 4.925 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1127433582 BLRMYDRYVJGYMO-AREMUKBSSA-N 448.519 4.637 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1129000312 UOERIRNBQYOFMF-MRXNPFEDSA-N 425.504 4.851 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)C1 1131664217 QBJKLHYPPWQBBY-CQSZACIVSA-N 434.355 4.584 30 10 IJEE COc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1C#N 1132547462 DPZLCYKLNCWPKN-UHFFFAOYSA-N 427.291 4.800 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)CCCN1C(=O)OC(C)(C)C 1137795913 QRNVPUCUCXHIRR-NVQXNPDNSA-N 441.616 4.768 30 10 IJEE N#Cc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c(F)c1 1143955140 CZEHGHBKKCSTKG-UHFFFAOYSA-N 432.430 4.679 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1160297323 HYHUALXYFGVQCH-LOSJGSFVSA-N 444.575 4.954 30 10 IJEE C=CCn1c(SCC(=O)c2ccncc2Cl)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164430534 OYLXDASDCGMBFZ-LBPRGKRZSA-N 445.997 4.792 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 1169002838 CWFHPBGODTYQQR-ZFWWWQNUSA-N 433.499 4.944 30 10 IJEE C#C[C@H](N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(Br)cc1 1182031126 GBWMSXYQZMYLNL-RTWAWAEBSA-N 427.342 4.514 30 10 IJEE O=S(=O)(Cc1c(F)cccc1Cl)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1185271088 BLRMJQNNVWNZQX-RKDXNWHRSA-N 441.796 4.808 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 1199787499 UTSDYOFXGZHVEO-IBGZPJMESA-N 434.323 4.875 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1200402811 OBNPMQQFWPHXLL-KNQAVFIVSA-N 441.572 4.732 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 1216995827 WSLYZRWBQSEXEU-UHFFFAOYSA-N 435.293 4.884 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1221986608 KYNOYVWPYDPBPV-RUZDIDTESA-N 443.588 4.574 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCc2sccc2C1 1286316433 VCUHIRWYXYSNIL-UHFFFAOYSA-N 436.581 4.780 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)C1 1286317481 RIABTOYDXRGZRB-ZDUSSCGKSA-N 425.421 4.514 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H](OCC)C(C)C 1286402320 BYCHYMOILCDKQE-FQEVSTJZSA-N 433.383 4.776 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCN1CC 1286529386 ZXYUICCJBOUYPX-SQJMNOBHSA-N 437.657 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286665903 ABGBKJOYBRTWFY-FQEVSTJZSA-N 445.571 4.570 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)[C@H](OC)C1)c1ccccc1 1286679094 KCAGWBFAVAOEOZ-BPUDTRNYSA-N 431.584 4.870 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286683152 KTHYKTAPCLKAMC-KGVIQGDOSA-N 428.552 4.917 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC2(CCOCC2)C1 1286694527 DQRPICYZBFPFNM-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286698388 WUCNCMXSVAJVNY-QGZVFWFLSA-N 447.505 4.951 30 10 IJEE C=CCCOCCn1c(Nc2ccn(C)n2)nnc1-c1ccc(-c2ccc(F)cc2)s1 1286716314 JYGLHIVNGRHBOW-UHFFFAOYSA-N 438.532 4.883 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCC)CCC1 1286748677 YQTNBMCXODJMBL-FQEVSTJZSA-N 425.552 4.531 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1286750947 JXAPOJIYERAGPY-GGAORHGYSA-N 438.664 4.855 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286763383 YKUWNHXERYJYMZ-ACHVPNTGSA-N 445.611 4.703 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2(OC)CCC2)C1 1286801632 FCEFYGDSEWWMGS-QFIPXVFZSA-N 438.616 4.983 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](F)(C#N)C1 1286826543 KWRLSCGBWGOFDA-OAQYLSRUSA-N 431.606 4.637 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(F)cc(C)c2C1 1286827683 XBRZLPBDSBGSFA-UHFFFAOYSA-N 443.979 4.923 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)C(C)C)c1 1290594472 LFIPLUOJMWCOPW-FDDCHVKYSA-N 428.598 4.792 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1291083400 BDRWPXYHIKDIFI-IFMALSPDSA-N 434.632 4.891 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)C#N 1293995194 FVSBMWZFKZOLMC-MRXNPFEDSA-N 448.409 4.635 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 1295537405 ZJADQNALYBEFSY-INIZCTEOSA-N 429.442 4.817 30 10 IJEE CO[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)(C)C 1299642019 GXZICEOYCRNABU-BWKNWUBXSA-N 447.587 4.526 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1300007884 LTYYJGCVRXNBSI-UNVFRBQDSA-N 444.575 4.812 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(SC)CCC1 1300275538 WAGYQENURCVCHA-QZTJIDSGSA-N 428.602 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccnc(SCC)c1 1300275798 AASYXUBLLRZHHK-OAHLLOKOSA-N 443.523 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC1CCN(CCC)CC1 1300798069 JKIIZRKZKBHLDE-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1300830443 WXKOIWFRTYRELI-ZSHCYNCHSA-N 439.304 4.690 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1300879137 AKMYGCJGLIPTNU-XPIZARPCSA-N 427.499 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1OCC(F)(F)F 1300909367 QPZAGPKJGWGXSD-UHFFFAOYSA-N 447.505 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCCCCC1 1300924753 HZJHAHUPOOPIFB-UHFFFAOYSA-N 432.996 4.998 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1301019424 KHUSAMGQPMDPNE-UHFFFAOYSA-N 442.947 4.897 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2nc(C)c(C)s2)CC1 1301089542 YXWLAMJTGXDPNZ-UHFFFAOYSA-N 437.613 4.544 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1301245950 KIQFZNLJIFHFIO-WOJBJXKFSA-N 445.007 4.834 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@@H]2CCCO2)CC1 1301246841 XRWWLOKPULFEGY-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCC1)C1CC1 1301314681 ZXFHYCIWNNGGSH-QGZVFWFLSA-N 430.980 4.922 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1CCC1CCN(CC(F)(F)F)CC1)C1CC1 1301323295 RZAQPQDHJSFRCG-UHFFFAOYSA-N 425.543 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCSC1 1301375517 OJJNWFRHLJCDNI-ZDUSSCGKSA-N 425.421 4.701 30 10 IJEE CCC1(NC(=O)OC(C)(C)C)CCN(c2ccc(C#N)c(Br)c2F)CC1 1307198247 OSUSXBXSMKWFKD-UHFFFAOYSA-N 426.330 4.734 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCCN2Cc2ccccc2)cc1OC 1308274997 WSNCWNDSFGVSQZ-FQEVSTJZSA-N 445.401 4.777 30 10 IJEE C[C@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1309158624 FXCDQIFZUGGXOC-LLVKDONJSA-N 436.377 4.505 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CCCC1 1310042794 KNWDYXBNNKABQC-RTBURBONSA-N 433.618 4.611 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C 1310370827 DQGRJGIOVIBZEI-UHFFFAOYSA-N 441.503 4.526 30 10 IJEE COc1ccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c(C(F)(F)F)c1 1310465724 DGLZJCFBELROGN-UHFFFAOYSA-N 449.820 4.746 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 1310739191 CJCQIUGPRBKHAO-SCLBCKFNSA-N 425.476 4.562 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccsc2Br)cc1 1315377739 BCXSHNLNYLZHCO-ZDUSSCGKSA-N 446.374 4.564 30 10 IJEE CC(C)OC(=O)C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 1353233221 GJYLDNWLONBOKA-VWLOTQADSA-N 442.515 4.950 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nc(C(C)C)cs1 1358942755 IYPOEZVGXBQASO-UHFFFAOYSA-N 444.402 4.714 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCc2ccccc21 1359062931 YMQQLANSGNKQDV-BHIFYINESA-N 438.641 4.687 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1359069578 PULPFCLFSLUADY-KNOQFWTLSA-N 441.620 4.573 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2[C@@H]2C[C@H]2CCC)CC1 1359172697 FSNGPAXQEDHGNH-UYAOXDASSA-N 427.980 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359188976 XYPANLVODHIIIY-UHFFFAOYSA-N 427.618 4.562 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359232247 PSQGUPFESAJNDB-QRVBRYPASA-N 432.012 4.814 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@](C)(O)CCC)C1CC1 1359247901 SUABCKYGZRIXOU-HXUWFJFHSA-N 437.357 4.553 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@H]1C 1359262626 ZSEJKHVYJMAKRV-HOYKHHGWSA-N 433.581 4.622 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC1(COC)CCCCC1 1359263120 QCZFOFYPPCQAGI-UHFFFAOYSA-N 440.617 4.530 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C)C1)C(C)C 1359264630 KIFKIHWOJOODGT-RBBKRZOGSA-N 449.599 4.615 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCc2sccc2C1)C(C)C 1359265201 ASLPAEDOWXADMW-NRFANRHFSA-N 425.646 4.868 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC#N 1359338167 NSTGKVUPAAZGOF-ZDUSSCGKSA-N 438.370 4.504 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)CCc2ccc(Br)cc2)cc1OC 1360091024 AZBNPSCSJATHJX-XYOKQWHBSA-N 430.342 4.737 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 1442974031 OMLGCHAZTVQNSY-RZDIXWSQSA-N 447.352 4.564 30 10 IJEE C=CC[C@H]1CCCN(C(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)C1 1452996159 AOZDKKIGZNCICV-QFIPXVFZSA-N 440.609 4.704 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cc(C)c(C)cc2C)[nH]n1 1455302500 LVFLBLVLZQETOU-GOSISDBHSA-N 432.952 4.976 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(CC)CC(=C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1458727610 BYQLOIWWHRTLTQ-JKSUJKDBSA-N 445.654 4.674 30 10 IJEE N#Cc1ccc(N(C(=O)c2nn(-c3ccccc3F)cc2Br)C2CCC2)cc1 1461766417 DCOCQSOLSZDNSF-UHFFFAOYSA-N 439.288 4.845 30 10 IJEE C=C[C@@H]1OCCC[C@H]1N[C@@H](C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 1462260420 KZQNXRWZNGQSFH-DBVUQKKJSA-N 442.581 4.632 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCC(C)CC2)CC1 1465021094 JSXUOWWYJBNURD-GXOAENINSA-N 429.001 4.609 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1 1465177939 FGSKKUJUWYDCJB-IBGZPJMESA-N 433.529 4.876 30 10 IJEE C#CCN(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCCc2ccccc21 1469775079 ATFKFEXWLDXACO-RGSZASNESA-N 434.555 4.622 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1(N(C)Cc2ccccc2)CCCCC1 1471248418 HLBWXHYWSVKFBQ-UHFFFAOYSA-N 439.600 4.695 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)cc(Br)c1 1474888832 CLWUOQJAFJZGGK-UHFFFAOYSA-N 441.778 4.821 30 10 IJEE Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3nc(Cl)c(C#N)s3)c2)c1 1476722881 GPHPGKHAFYKZTQ-UHFFFAOYSA-N 440.916 4.942 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc(Br)cc1 1495560193 AEYRTIIMKMJQLG-IERDGZPVSA-N 430.394 4.927 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCO[C@H]2C(C)C)c1 1504331002 DOCRCAJNSZYKPV-GMAHTHKFSA-N 437.588 4.535 30 10 IJEE CS[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1505178479 FWHUHHHBLFFRAE-LAUBAEHRSA-N 436.000 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1c(C)noc1C 1507516491 CKSAPVXEGCRCNZ-KRWDZBQOSA-N 442.567 4.658 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC(F)(F)F 1507694310 LJDXSIOMXPOGKC-UHFFFAOYSA-N 438.494 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCCSCC(C)C 1507771658 GDDWEWXRNLRDHS-HSZRJFAPSA-N 430.593 4.768 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OC)C1 1507871862 AOMZAARAIZRKOM-CQSZACIVSA-N 431.751 4.532 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1507890054 XDKZYCFZCUFRBB-JOCHJYFZSA-N 436.629 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCS(=O)(=O)CC 1507912744 YJHBJEFLWXEIQX-UHFFFAOYSA-N 446.661 4.716 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507916454 QTWJWSUEAJBDRR-PKTZIBPZSA-N 443.680 4.867 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1507933309 KLTFOWNQYOSAFC-UHFFFAOYSA-N 440.542 4.621 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CCC)C1 1507938021 WWDBLYWUFZKGSL-UXHICEINSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1507941783 LBRPKXZPYKJLPW-OAQYLSRUSA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC(F)(F)F)C1CC1 1507993480 FSUTWWFNKVBQNF-UHFFFAOYSA-N 433.434 4.681 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CCc1cn2ccccc2n1 1508024634 MEPPHZACDZUCPF-UHFFFAOYSA-N 442.611 4.992 30 10 IJEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 1512330126 BALPQRBRZKIJNS-IBGZPJMESA-N 429.515 4.791 30 10 IJEE COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 1516551040 CSUIZYSRETWODM-SBUREZEXSA-N 430.529 4.990 30 10 IJEE C=CC1(CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CCCCC1 1516649640 OXQHSBSQDRMMIA-UHFFFAOYSA-N 439.383 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 1524835224 LBTXCNCKZCJVKQ-NDXORKPFSA-N 448.332 4.806 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 1524983406 KXIWIDKNUXQUOC-UHFFFAOYSA-N 445.357 4.929 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1)c1ccc(F)cc1 1525026105 SXAKBARJSGVBBW-ZFGGDYGUSA-N 432.520 4.781 30 10 IJEE C#C[C@@H](NC(=O)Cc1sc(C)nc1-c1cccs1)c1ccc(Br)cc1 1525054929 UYRKGRNNTDDSFF-OAHLLOKOSA-N 431.380 4.976 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(Br)c3nccnc3c2)C(F)(F)F)cc1 1525856333 MVRWBNMNZRSEGG-KRWDZBQOSA-N 435.199 4.834 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C3CC3)nc3ccc(OC)cc23)cc(OC)c1OC 1528661663 NUADPCZUNAJSEB-UHFFFAOYSA-N 432.520 4.797 30 10 IJEE N#Cc1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1Br 1529427287 BONYLGYSCUKWRZ-UHFFFAOYSA-N 431.677 4.595 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 1530084183 NYTKBSLRUVAHIM-UIFIKXQLSA-N 430.976 4.552 30 10 IJEE Cc1ccc(O[C@H](C)CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 1532867012 CCWZRECWBIZYJN-GOSISDBHSA-N 425.960 4.710 30 10 IJEE N#Cc1ccc(CSCC(=O)OCc2ccc(OC(F)F)c(Br)c2)cc1 1533835126 GBKMVRQFLPVGPS-UHFFFAOYSA-N 442.281 4.899 30 10 IJEE C=CCC1(C(=O)N2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)CCOCC1 1534998942 ZYHGOOGENHGFDJ-HNNXBMFYSA-N 437.353 4.667 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c1 1537409815 LAXREQGITWNZJS-UHFFFAOYSA-N 436.533 4.806 30 10 IJEE C=CC(C)(C)CC(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1538295263 WZYFZGBGWBFWSV-OALUTQOASA-N 428.573 4.745 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)c1ccc(Cl)cc1 1539034780 IKBDSOGPFLLIMD-QYRPDUKASA-N 445.007 4.696 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 1539069465 HJTDVHIHLQFEQP-UHFFFAOYSA-N 438.940 4.850 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC(F)(F)F)CC1CC1 1539097481 OGZBDDCHBOUOLI-UHFFFAOYSA-N 442.489 4.917 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1539108792 DDWFBOPKDREQJG-GOSISDBHSA-N 437.956 4.523 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1sccc1C 1539239079 GZDZVGHXVWLVNM-NRFANRHFSA-N 432.593 4.720 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OC)CCCC1 1539333509 FPISKHYNDYNRJA-UHFFFAOYSA-N 448.611 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](c3cccc(Cl)c3)C2)nnc1C(C)(C)C 1539642501 QRFCKHAVNXJBCA-GIVPXCGWSA-N 445.007 4.788 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1539902881 PMYWXMSETFBIAV-LJQANCHMSA-N 443.611 4.864 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@H](C(C)C)C1 1540037137 BYCYPEZDDRYPOF-FQEVSTJZSA-N 435.037 4.693 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1csc(C)n1 1540057883 LPFSILWJJMPBMP-UHFFFAOYSA-N 435.553 4.747 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCCC[C@H]1C 1540069153 KJCATKYDZAZUOA-HXUWFJFHSA-N 434.588 4.877 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCSc2ccccc2)C1 1540889367 KHXXOYJMKHRNHB-HXUWFJFHSA-N 435.597 4.612 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCSCc2ccc(C)cc2)C1 1540890115 ZWDNVVPMBXITAD-QFIPXVFZSA-N 449.624 4.672 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H]2C)C1 1540896455 MEPSFQRFQFDDSQ-SLFFLAALSA-N 442.629 4.797 30 10 IJEE C#CCN(C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)C1CSC1 1557439055 NRLXFCZVRIVISB-UHFFFAOYSA-N 434.392 4.639 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2C#N)c1 1559472972 DQDHBPHZLNCPKN-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1562406095 WMTYMKRQYBDPQC-PGRDOPGGSA-N 433.618 4.896 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(OC)c1OC1CCCC1)c1ccc(Cl)cc1F 1564004544 LNBYIIPRDXDHTO-HXUWFJFHSA-N 430.907 4.983 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 1564603998 WLDLHMRFUKXDJX-CTNGQTDRSA-N 434.870 4.733 30 10 IJEE C=CC[C@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1569486236 SPPXFWGTXGYYKV-AUSIDOKSSA-N 434.964 4.586 30 10 IJEE C=CCC[C@@H](NC(=O)CCn1cnc2c(C)cccc2c1=O)c1ccc(C(F)(F)F)cc1 1583129386 SKGMFBDYAGYNIF-HXUWFJFHSA-N 443.469 4.938 30 10 IJEE C#C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 1583578114 AGTOLEFAFJPHPL-AWEZNQCLSA-N 446.809 4.989 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2Cc3cnn(-c4ccccc4)c3C2)s1 1584024095 AXSATQCAHHPPOL-UHFFFAOYSA-N 430.986 4.567 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](Cc2ccccc2)C1 1587817884 JZFONRLSEQZISG-GOSISDBHSA-N 438.373 4.518 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC[C@H](OCC)C1CCCC1 1588099497 ONMLQWBIYRXOEE-QFIPXVFZSA-N 430.552 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCOc2ccc(Cl)cc2)nnc1C(C)(C)C 1589581936 WTRLTVCMHJXEIL-XLIONFOSSA-N 432.996 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1589687830 QBHFVUKHHRNGTH-FGZHOGPDSA-N 425.621 4.688 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1nccs1 1593711164 CEIZRNARXFKEEQ-UHFFFAOYSA-N 443.642 4.961 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1593763660 OAYJEOWRIAQBFV-FGZHOGPDSA-N 438.616 4.974 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1594591300 RAYYFSOSIYHBEH-QGZVFWFLSA-N 444.885 4.731 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccco1 1594788574 PMTZPNXYYDYQQJ-KRWDZBQOSA-N 446.349 4.563 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1sc(C)nc1C)C1CC1 1595037524 IBBOALSDNSMWHC-UHFFFAOYSA-N 429.977 4.884 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N(C)C 1595070656 HWMLZZBIYQQPNY-NRFANRHFSA-N 437.588 4.673 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CC1([S@](C)=O)CCC1 1595149933 YWARVWVPBJXLBR-LJAQVGFWSA-N 426.611 4.500 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1 1595845654 YGTYXYYUWQQJOT-URXFXBBRSA-N 426.630 4.746 30 10 IJEE C=CC[C@@]1(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)CCCN1C(=O)OC(C)(C)C 1595890830 DMHVCYULJORAQY-DFBJGRDBSA-N 425.573 4.738 30 10 IJEE COC(=O)C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cccc(C)c1 1597737363 GIMCXPPIFKZPMM-QFIPXVFZSA-N 432.451 4.832 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCSc1ccccc1 1613261668 SEPBXOBKKQNCIY-KRWDZBQOSA-N 448.596 4.509 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCC(C)C)cc1OC 1614998679 CNBIXRYFJAJGQS-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE Cc1ccc(S[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc2)c(C)c1 1623849522 BSOBGVKXDWLMBJ-RUZDIDTESA-N 442.588 4.752 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(O)c2Br)cc1C 1624603401 ALIPZTAVOGWBTP-UHFFFAOYSA-N 439.313 4.801 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](C)CCc2ccc(F)cc2)nc1C 1627230058 HDSOBQUQJRBQHF-LBPRGKRZSA-N 431.562 4.531 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(I)c(Cl)c1)c1ccccc1 1627435468 LTUPSBWIPNHTCH-JOCHJYFZSA-N 445.709 4.798 30 10 IJEE COC(=O)[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)Cc1cccc(C)c1 1627467299 DIPJMIVDLYZTDT-QHCPKHFHSA-N 442.515 4.615 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@]2(c3ccc(OCC)cc3)CC2(Cl)Cl)cc1 1629309884 CYAPUOLKGKZXSW-NRFANRHFSA-N 448.350 4.847 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1 1630113906 FYXKZBBVXDCTEO-IBGZPJMESA-N 439.581 4.852 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1 1630193851 GRKANQHNSYPUKB-PBHICJAKSA-N 443.371 4.706 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C(C)C)Cc4cc(OC)ccc43)n[nH]2)c1C 1630420378 YJSBJSPGZQWSSG-IBGZPJMESA-N 433.556 4.560 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1ccc(I)c(C)c1 1634848564 CVBAZOMFZNQURN-UHFFFAOYSA-N 434.321 4.540 30 10 IJEE C#C[C@H](NC(=O)Cn1c(C)c(Br)c2ccccc21)c1ccc(Cl)cc1F 1636312466 PULSLNJSWIGDOW-KRWDZBQOSA-N 433.708 4.995 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1637540440 WSPNESXXMMSFAO-YJMBLLCNSA-N 443.588 4.882 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(Br)c(CC)c(Br)c1 1637757916 NMLXLOWCGGHZLL-INIZCTEOSA-N 443.179 4.914 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C1CC1 1637908931 KUQUKXCULWXQBB-HJPURHCSSA-N 438.955 4.951 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F 1638986807 IVJPSLJNILUPLD-RXVVDRJESA-N 430.495 4.834 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1 1640053223 LJTVUBZCMCHTNH-UHFFFAOYSA-N 435.549 4.557 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1F 1640462807 BQDXAILGISRHNP-VQTJNVASSA-N 435.326 4.768 30 10 IJEE C=CCn1c(SCc2ccccc2C(=O)OC)nnc1-c1ccc(Br)cc1 1640709361 BICNWWBTQYCXAN-UHFFFAOYSA-N 444.354 4.973 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)cc1 1645253616 FGJNJCQJMPLWLW-QFIPXVFZSA-N 440.421 4.619 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCN(c3ccccc3Br)C2)ccc1OC 1647019554 NKHYQDKNJYEVMK-SFHVURJKSA-N 431.374 4.781 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@H](C)C3 1651729993 BSBIUELLNFIULN-SCLBCKFNSA-N 430.570 4.740 30 10 IJEE C=CCn1c(SCc2cnnn2C)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1652386071 ZSSSOLLGTCKUNW-OAHLLOKOSA-N 428.631 4.764 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(Cc3ccccc3)C[C@H](O)c3ccccc3)cc21 1664933809 ZAZVPEPVTBEGQW-VWLOTQADSA-N 426.520 4.990 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)cc1 1667322120 OTAVIRDYSMAPPP-RCZSKKKRSA-N 441.597 4.587 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)[C@@H]1CCCc2ccccc21 1667530483 UNADFOBFAQJKMB-HXUWFJFHSA-N 429.442 4.523 30 10 IJEE N#Cc1cc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)ccc1OC(F)(F)F 1671267854 FSJLUNYIYDSZRY-UHFFFAOYSA-N 446.429 4.907 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(Oc2ccc(F)c(C)c2)cc1Cl)[C@H]1CCCO1 1671889737 MYFGPCZULJJXQN-FCHUYYIVSA-N 430.907 4.902 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cc(OC)c(OC)c(OC)c1 1672708032 CJNNDXQBKCYKKV-UHFFFAOYSA-N 437.290 4.684 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F 1674733092 XARPIVGMHCSVSM-UHFFFAOYSA-N 436.883 4.803 30 10 IJEE Cc1nc(CN2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)CC2)cs1 1677631572 DHOVGPGYBIJKRU-UHFFFAOYSA-N 449.605 4.824 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1F 1682367662 PMWUHHKKLWEDLT-IAGOWNOFSA-N 449.231 4.858 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 1683268338 VCAQWTYEYYQVOG-NZQKXSOJSA-N 426.532 4.868 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@@H](O)C1 1689828301 NEOPHMOWBVJGPB-CTAFRAEOSA-N 445.007 4.697 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1689829471 YVGCIBKRUQGDRP-OZIGNCPNSA-N 442.579 4.856 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1csc(C)c1 1690028195 NINUXSKMZHWJDD-UHFFFAOYSA-N 426.998 4.715 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCSCC(C)C 1690065076 JZPJBEUJWWJLPJ-UHFFFAOYSA-N 435.435 4.946 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC(C)CC1 1690073737 FBNDOHZSLHFFRZ-UHFFFAOYSA-N 446.599 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC)C1 1690249607 ZUBWJOIPADWBAX-NWSQWKLXSA-N 445.007 4.509 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1690384326 NGPUFCXRRZQIKN-XXBNENTESA-N 442.629 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1690419209 KJSQNCQIMADHQM-KDURUIRLSA-N 442.007 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@](C)(OC)C1 1690424712 XRGCGZUPDQOXMJ-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CC(C)C)C1 1690453356 AOBSQBHDWQECJS-IBGZPJMESA-N 430.618 4.577 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1CC1(N2CCSCC2)CCCCC1 1690521031 NWIJNWAFINGXGK-UHFFFAOYSA-N 425.646 4.627 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1690580753 FHTAFDPYVUENCR-KSZLKVKMSA-N 441.664 4.987 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1CC(C)(C)N1CCC[C@H](C)C1 1690607186 GOTOGOFMAJRKGR-FQEVSTJZSA-N 425.621 4.884 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@H](C)c2ccc(OC)cc2)C1 1690696462 CGJHEGWPBQZLGC-CVDCTZTESA-N 447.583 4.632 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1690742638 WZXGCDSKDXZIBT-UHFFFAOYSA-N 449.624 4.924 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(COC)CCCCC1 1705490969 UVMBWTGQNPJHDR-LJQANCHMSA-N 433.556 4.655 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cccc(C)c12 1705505399 KCJNUKYDIWVWLL-KKLQWCBXSA-N 433.600 4.687 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1705527550 BIXMPQSIPJQIMI-UHFFFAOYSA-N 445.405 4.823 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCOc1c(C)cccc1C 1705545869 RANGDLAQZYVFGJ-UHFFFAOYSA-N 445.386 4.534 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCC(C)C)C1CC1 1705695340 IGZKRKDODMNIEB-DENIHFKCSA-N 439.560 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCS[C@@H](CC)C1 1705697180 SSVJNIQCCIQUFQ-FSSWDIPSSA-N 426.630 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705711562 OQGQMIQVTFWCGS-SJORKVTESA-N 449.441 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)Cc1cccs1 1705788346 XJVPDUHTHQZDHU-UHFFFAOYSA-N 448.600 4.611 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cscc1C 1705798871 DHCVNGZAQCZXLW-UHFFFAOYSA-N 427.574 4.607 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CCN(C)C(=O)OC(C)(C)C 1705861741 NIQOTBUJLKLWEE-UHFFFAOYSA-N 427.593 4.536 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC2(CCCC2)C1)C(C)C 1705866837 AWBHTPAOTGIJOL-PKTZIBPZSA-N 441.664 4.989 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCc2c(F)cc(F)cc2C1)C(C)C 1705867327 LVAXUBCJMTUJJK-HSZRJFAPSA-N 441.570 4.695 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC(CN2CCCCCC2)CC1 1705892721 BTRBJJWZVMJXKK-UHFFFAOYSA-N 437.632 4.698 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C2CC(C(C)(C)C)C2)C1 1705917366 SVJBAUPACFDLQN-PREGVCBESA-N 448.409 4.814 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(N2CCCCC2)c1 1711056145 HNFQQIMGPJKTFX-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C(CC)CC)no1 1722298262 AOHOPYPUWBLDJT-IBGZPJMESA-N 435.572 4.872 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1csc(CC)n1 1722328664 XAEFUHUSGRMTFH-UHFFFAOYSA-N 430.581 4.870 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1722339286 SGPZQWWXRHWUFG-SFHVURJKSA-N 428.512 4.812 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccco2)C1 1722452811 WUJZVQZXFWEFHO-ROUUACIJSA-N 440.544 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCN1CCCC[C@H]1CC 1722475454 CXXCWZZJRMCJRG-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC(C)(C)C1 1722475864 YBLSKBONHRLKQR-UQBPGWFLSA-N 441.620 4.778 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC)c1 1722475874 YKECKZCEACVIPZ-XLGIIRLISA-N 436.600 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC=C(COC)CC1 1722490674 BUBWYUXKPTYRKL-VXNXHJTFSA-N 436.600 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 1722499227 HZZGAEZLCQDWOH-PYXMZCFHSA-N 430.637 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccco1 1722502066 HUOPIVPXASLMBA-RDPSFJRHSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCc1nc2c(s1)CCCC2 1722511635 GGEHQOPBOIXXGS-UHFFFAOYSA-N 432.597 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)c1c(C)noc1C 1722511945 RKSDMSAXCDYSHZ-MRXNPFEDSA-N 439.560 4.773 30 10 IJEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1)c1ccccc1 1722542253 WHDDEOWMSAWUEA-YPAWHYETSA-N 426.630 4.996 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCN(CC)CCC)CC1 1722576157 BTWREYJJERCXKO-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C)cc2)CC1 1722602411 ZYSKGYRLJHVRDO-UHFFFAOYSA-N 436.991 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)Oc1ccccc1F 1722664123 QSXWOGKYUQJRSB-ROUUACIJSA-N 442.560 4.643 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(C3CCC3)C[C@@H](C)C2)cc1 1722703118 VQFWQXWPMMGBLG-RTWAWAEBSA-N 437.632 4.715 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(C)C)cc1 1722730867 FYJGSRYWQYJPFX-FGZHOGPDSA-N 426.605 4.902 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1722743226 VCVVUIYDEXJSSY-RDJZCZTQSA-N 449.418 4.528 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1740567016 FRWCAHNNXRJARZ-QFIPXVFZSA-N 448.640 4.797 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@H](F)C1 1740658211 FPOTUQXDKJMESG-WMZOPIPTSA-N 449.357 4.765 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCSC(F)(F)F 1740662526 UJWOVUOIZKLEFE-INIZCTEOSA-N 426.508 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CCCc1ccnc(C(C)(C)C)n1 1740730269 WPSWRRHCSYMGSK-HHHXNRCGSA-N 442.611 4.966 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1740739956 GGDDJKKQDOEDHR-LJQANCHMSA-N 449.393 4.648 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1C(C)C 1740765889 DPVLUQLQNTWWKG-LEDOBFOHSA-N 428.552 4.602 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1740779795 AIYSDGMQOPPVEY-SFHVURJKSA-N 428.577 4.712 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(C)o1 1740815593 FBNPDRBWVVXBCI-KRWDZBQOSA-N 428.920 4.861 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1740819853 HKLFPMHCRIFKFB-UHFFFAOYSA-N 448.615 4.752 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(OC)CCC(C)CC2)CC1 1740837461 WBUVMJOARNKYBW-UHFFFAOYSA-N 429.996 4.991 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1740865604 YSTMSJBAKVYMJS-GOSISDBHSA-N 442.658 4.626 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1740870640 RSFRSACULZTQFC-UHFFFAOYSA-N 441.645 4.689 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1CC 1740884082 PDTQVAYSLADJGY-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H](OCC)C(C)C 1740893484 LXGZHTZOAJVPFJ-SFHVURJKSA-N 439.373 4.920 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](n3nc(C)cc3C)C2)cc1 1740967875 STXDKEQPEWKWBG-HSZRJFAPSA-N 448.615 4.745 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1740969314 MVRBJAQUXHUZIT-UXHICEINSA-N 437.613 4.997 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](F)(C#N)C1 1743438254 DPBITWPBKLRRIN-XMMPIXPASA-N 437.519 4.995 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H]2CC)o1 1745324259 FLOOCTYTMVMJNJ-FXAWDEMLSA-N 448.571 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCC[C@H]1C 1748640915 YNRNXQBNYDDEFE-QBMUGXQSSA-N 430.980 4.571 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1cccs1)N(C)C 1748655467 YREXPYAYWVROOC-RDTXWAMCSA-N 431.968 4.560 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](c1ccco1)N1CCCC1 1748777159 ANZOWHRFFZJEGS-LJQANCHMSA-N 444.366 4.751 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCCOC(C)C 1749058658 NSUIIWBMIRQUTF-LJQANCHMSA-N 437.407 4.576 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1749132899 FNHPRKAEELYBBR-DENIHFKCSA-N 426.948 4.733 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCc1nccs1 1749203699 JFVJRWSOALTTMD-UHFFFAOYSA-N 438.384 4.875 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)CC1 1749212898 AQKOKSYYTBBAPN-IBGZPJMESA-N 434.531 4.863 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](CCC)OC)CC1 1749294377 YGXJKOSASTVRMG-FQEVSTJZSA-N 428.577 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1749299079 MSMYOJMFAHLURP-QFIPXVFZSA-N 436.991 4.761 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749452314 VRIRNJALITVPKS-FQEVSTJZSA-N 437.613 4.995 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)N1CCCC1 1749538440 IXUMMXHDNGWIJC-HSZRJFAPSA-N 430.600 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1C[C@]1(C)COCCO1 1749550662 GMBSVVOOWMETTG-JOCHJYFZSA-N 444.988 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC[C@H]1CCO[C@H](C)C1 1749552909 KNOQQNQTFVMYGH-CTNGQTDRSA-N 437.613 4.723 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1749752396 PIBOMCQTHWJKHZ-JOCHJYFZSA-N 435.597 4.536 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1OC 1760103940 OISIQADZEMHQER-CQSZACIVSA-N 445.386 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1760103958 OTQSGKXALFYDTN-PKOBYXMFSA-N 449.555 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[C@@H](OCC)C1CCCC1 1760115267 CBUUEDNHPQIARX-VGOFRKELSA-N 430.543 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1760121682 DJEGELLJAZUFCH-IVMQYODDSA-N 445.489 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCC1(OC)CCC1 1760288711 ITZXHPNKEWOGOH-FDDCHVKYSA-N 426.536 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCn1cc(Cl)cn1 1760330607 JLYKUEYWQAQMAA-UHFFFAOYSA-N 449.784 4.660 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C)C1)c1ccccc1 1760362602 PGMIPDFYEXYGEI-MRXNPFEDSA-N 440.389 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1760410530 IBPDENNEICVBGA-LJQANCHMSA-N 448.546 4.576 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC1CCN(CC)CC1 1760457793 HNBDDWWIINVVSM-UHFFFAOYSA-N 438.439 4.513 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1760476012 CXOZUIGUBBKLJU-QHCPKHFHSA-N 437.632 4.749 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1csc([C@H](C)OC)n1)C1CC1 1760476986 MHMYHIXJGBNXJZ-AWEZNQCLSA-N 445.539 4.514 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCCc1ccnc(C(C)(C)C)n1 1760494775 UHTZOXVEWUQFGE-UHFFFAOYSA-N 431.588 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760497076 QQAPTWLQFARAQH-FGZHOGPDSA-N 432.616 4.580 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(Cc2ccsc2)CC1 1760507941 SGADWZQFHRCFMZ-UHFFFAOYSA-N 434.396 4.822 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N(C)C2CCC3(CC2)OCCO3)cc1 1760530633 ROBUZVWQLRRAPD-LJQANCHMSA-N 440.588 4.527 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(SC)CCC2)C1 1760548048 XNXOWEJFYPTGKU-LJQANCHMSA-N 444.670 4.946 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 1760562088 WUXXCXPJWQUAOZ-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760568055 WPMGTMGLNSADLS-YJBOKZPZSA-N 443.469 4.870 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1760974140 DNVNFKCWDAPGCE-IRLDBZIGSA-N 435.597 4.966 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)C1 1761542024 AQZHOEFGEAYTFF-QFIPXVFZSA-N 436.972 4.904 30 10 IJEE CC1(C)CCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1761542205 FDMRXOMMZZCFNM-XZOQPEGZSA-N 445.970 4.809 30 10 IJEE CCOC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](F)(C#N)C1 1767325597 FBGUFNCTVHPDBN-QFIPXVFZSA-N 431.581 4.533 30 10 IJEE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=S)Nc1ccccc1)CCC2 1772750348 QAWRADZPCBASAD-UHFFFAOYSA-N 433.537 4.571 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1C 1862401035 RYGBRBITCKNZJL-XMMPIXPASA-N 443.499 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1C 1862401211 WATUCVVBYZLTGY-XMMPIXPASA-N 443.499 4.796 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccccn2)cc1 1862455984 HJSJINZSWGIRSI-NRFANRHFSA-N 438.405 4.586 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C(=O)O)c1 1862493690 WCOWEWPZTLVDHA-JOCHJYFZSA-N 433.504 4.913 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862537415 VBHDYIZPJVFLRA-QFIPXVFZSA-N 435.520 4.660 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1F 1862544398 CAUKAFVJSQOSDZ-HSZRJFAPSA-N 437.511 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(Br)c2)cc1F 1862646619 KEUVTKUHRVPXNU-SFHVURJKSA-N 448.288 4.584 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862681509 BMHVOPRUAQKSEY-OAQYLSRUSA-N 427.472 4.554 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862694845 TWIHTNKSRJFDSC-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(Br)c2)cc1 1862695941 LHIWCIFFXIAYAH-IBGZPJMESA-N 444.325 4.692 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(N(C)C)cc2)c1 1862701631 JSZRJLYFPNVZSF-YJGRUCBDSA-N 448.563 4.918 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(OC)c1 1862718326 YBHUSLUPKQBQDD-HSZRJFAPSA-N 431.488 4.932 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885468 VJWCCTXCIUTBBQ-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1862943242 NQYWDWPLRRENGR-UHFFFAOYSA-N 445.425 4.550 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036893 KULJIQFHXJULSV-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866780671 GEYWRGJWNPRTGV-RPWUZVMVSA-N 429.495 4.753 30 10 IJEE COc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866979937 MUWKBNHIRYPSPJ-DQEYMECFSA-N 441.531 4.803 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(Cc2ccccc2)CC1 1870348199 NMUVDANJDNEZDP-UHFFFAOYSA-N 441.575 4.774 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871216393 SPLPPKWTFFHKPY-UHFFFAOYSA-N 444.535 4.679 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2C[C@H](C)O[C@@H](C)C2)n1 1871583780 BQMYYUAECGAIOC-PMACEKPBSA-N 440.636 4.986 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872054087 CKUHRZASTWNWGY-QHCPKHFHSA-N 446.588 4.981 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872065414 WGYOADOLCNAZSM-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872093381 UBBYQQQPKONGPH-OAQYLSRUSA-N 434.989 4.887 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872468035 SUJKDFHPLFMBEW-OAQYLSRUSA-N 434.989 4.742 30 10 IJEE CCCCCCCCCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCCCC)C2)CC1 1872927846 CRKXZYSVZMNWRM-HSZRJFAPSA-N 449.680 4.521 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(F)c(F)cc3F)C(=O)N(C3CCCCC3)C2=O)cc1 1873236861 OTIIUXZOVXUGCJ-UHFFFAOYSA-N 425.410 4.500 30 10 IJEE C[C@H]1CCCC[C@@H]1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873245284 DSWUFTLAZBGOKM-RBZFPXEDSA-N 439.437 4.746 30 10 IJEE COCCc1nnc(S)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873502340 HWWGZRFBPSGBRN-SSDVNMTOSA-N 437.352 4.524 30 10 IJEE CCc1ccc(/C=N/Nc2cnn(-c3ccccc3Cl)c(=O)c2Br)cc1 1873529560 YTLSFIGSEIMCDY-SSDVNMTOSA-N 431.721 4.657 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3CCCCCC3)ncnc2n1CCOC 1873589940 XAWPJBWLJVLQLZ-UHFFFAOYSA-N 429.609 4.548 30 10 IJEE CC(C)c1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCCCO)cc1 1874269170 NNLYROAICSKFAC-ZVHZXABRSA-N 444.988 4.991 30 10 IJEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874276678 YNVZOWHJTPMCIO-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE CCOc1c(/C=N/n2c(COC)nnc2SCc2ccc(Cl)cc2)cccc1OC 1874503173 URAGQBYVFWRDHL-FSJBWODESA-N 446.960 4.660 30 10 IJEE CCSc1nnc(C(C)C)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874512795 QBVUEBLKRDIILJ-KEBDBYFISA-N 441.395 4.954 30 10 IJEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCC(=O)Nc1ccccc1CC 1874530102 RDEKQDTXHCUTFV-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)OCC(C)C)c2)cc1 1874596219 OYTYPFUNJZZQLD-WUXMJOGZSA-N 426.509 4.958 30 10 IJEE CCCCCCCCC(=O)Oc1ccc(C(=O)CCN2CCN(C(=O)OCC)CC2)cc1 1874747635 RVXLOGXSMIBTER-UHFFFAOYSA-N 446.588 4.690 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)cc([N+](=O)[O-])c1OC(=O)CC 1875115457 DZTACGRHPYTTSC-CMDGGOBGSA-N 448.269 4.968 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OC 1875176264 FHWFWWQHOJCFNN-RMKNXTFCSA-N 449.297 4.686 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875193290 BDLXOYBZXCUUKQ-XBXARRHUSA-N 445.855 4.867 30 10 IJEE CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@H](c2ccccc2F)C1 1891124535 FFBULFLAXGIHTN-KRWDZBQOSA-N 434.355 4.992 30 10 IJEE CC(C)[C@@H](C#N)SCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1928795490 XTTBXHGJLWUIQW-FGZHOGPDSA-N 438.549 4.650 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cc(Br)ccc1Br 1982457483 JSASZDJJDGPBGS-CABCVRRESA-N 448.199 4.551 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@]12CCCOC2 2038943568 IWMRSCNCRKWZBQ-ZEQRLZLVSA-N 449.592 4.618 30 10 IJEE CCc1nn([C@@H](c2ccc(C3CC3)cc2)C(C)C)c(I)c1/C=N/O 2079004144 MIEQCUBTXLWAEB-PGNNWUFWSA-N 437.325 4.981 30 10 IJEE CC(=O)Oc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080106177 UZDLFQVIJAEMCH-HNNXBMFYSA-N 430.249 4.562 30 10 IJEE Fc1ccc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)nc1C(F)(F)F 2081390533 RZYBZADTHWGHRD-UHFFFAOYSA-N 440.706 4.694 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(Br)cc1F 2089292315 QYKBGUWUXBXIHP-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)c1ccc(C#N)cc1 2181045500 MYGBBHWLYGSVMC-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC1(C)CC[C@H](C(=O)Nc2ccc(Br)cc2C#N)N(C(=O)OC(C)(C)C)C1 2181104880 FIAHMRJYKPSUEX-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE C=C(CNC(=O)c1cc(Cl)ccc1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2217389121 UWTWKYCBNVCWOF-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2243925989 DCQPJBXHRCTSHF-CLJLJLNGSA-N 444.575 4.858 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CCC(=O)C#Cc2cccc(Br)c2)s1 2278730505 NYPOESNUUVOZAL-UHFFFAOYSA-N 435.343 4.806 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@@H](O)C#Cc2cccc(Br)c2)CC1 2296225188 RZSFJLMKUOLCPZ-DJPFJPOOSA-N 440.353 4.585 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)o1 2296247570 GPMBIALFYZEGMB-MWTRTKDXSA-N 429.472 4.533 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2296295459 DDGQVTCPKFKNON-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296300395 HMHSWSZUDAXIEO-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2305315666 FIXITGUDIKBIIE-ZHVWDZEKSA-N 428.573 4.601 30 10 IJEE CN[C@H](C#CC1(SC)CC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2314653374 PYAPQNBLISQXIB-OAHLLOKOSA-N 425.392 4.956 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)C=Cc4ccc(C)cc4)n3)cc21 2320451301 FIXSZJMXCXFMCX-UHFFFAOYSA-N 431.517 4.682 30 10 IJEE CCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O 2321836258 RMULMEGCIXIXSB-ZDUSSCGKSA-N 431.282 4.704 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2CCCO2)C4)cc1 2321961900 ITMYYBHNTOZODI-NRFANRHFSA-N 448.563 4.788 30 10 IJEE C=CCN1COc2c(cc3c(c2C)OC(=Cc2cn(CC)c4ccc(OC)cc24)C3=O)C1 2322391095 ADIFPSQHMXKKJC-UHFFFAOYSA-N 430.504 4.932 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(OC)cc2)cc(Cl)cc1OC 2322456837 FKJOGJAHQRNUHR-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1cc(C=C2Oc3c(ccc(OC(=O)c4ccccc4)c3C)C2=O)cc(OC)c1OC 2322659753 CMTCRZFGCRQAFI-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCCCO)c(Br)c2)cc1Cl 2324609889 AWDZENGRHLXLQG-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)[C@H]1CCCO1 2325775692 LXSINLJLURCINV-XMMPIXPASA-N 432.472 4.838 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)c(Cl)c1O 2326567502 FNROIEYTGIIOOD-UHFFFAOYSA-N 427.288 4.613 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OC)c1 2329097473 XPJAZXHZTXCSMO-UHFFFAOYSA-N 428.945 4.787 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329920753 LLFPFMBGSPRRBP-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccn1 2330538538 YTYIRISAKMEWGB-UHFFFAOYSA-N 448.577 4.577 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccccc2)ccc1O 2330651751 RSUDPSYMTYGDHA-UHFFFAOYSA-N 449.467 4.873 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)C3=NNC(=O)CC3)c(Cl)c2)cc1 2330832704 FHXFLFYPFMMGMC-UHFFFAOYSA-N 438.911 4.750 30 10 IJEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)NC1CCCCC1 2330854661 BUSVFPTTYLRZLL-UHFFFAOYSA-N 427.618 4.598 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccccn1 2331009011 HXYWRMZKRSBLOZ-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2C)c1 2331122227 VMILOFGYDAJCRJ-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2331228591 ONBOUKUDZWUORM-UHFFFAOYSA-N 437.370 4.974 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc2ccccc12 2331630298 RTBAWBJCOPPLID-UHFFFAOYSA-N 429.549 4.997 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339578526 ICTQOJOCJNCSII-QIXNEVBVSA-N 444.381 4.893 30 10 IJEE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582512 QZBSPNJIGROKKT-NRFANRHFSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587939 AUTDPYYIAZHYNA-LJQANCHMSA-N 444.381 4.895 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3c(Cl)cccc3Br)C2)OC1(C)C 2342481586 ITDNYCDKAUEGHP-SFHVURJKSA-N 428.563 4.801 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)n1 2357062957 DWSISSGVQFUPJQ-CDNNERCOSA-N 448.416 4.509 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2362762527 FJSYNORIOLLMCM-RTBURBONSA-N 437.378 4.558 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2363626742 BMQYYZAYKFKMCY-MOPGFXCFSA-N 449.414 4.586 30 10 IJEE C=CCC(CC=C)[C@H](OCC(=O)O)c1sc(Cl)cc1I 2366724914 QZWRTCZSWRCFLP-ZDUSSCGKSA-N 426.703 4.917 30 10 IJEE Cc1cc(CN[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2369697241 NFMQYPVHWZSSHU-UHCVVMIDSA-N 447.428 4.768 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(CC(=O)O)cc2)cc1 13194813 UPERHNPNPSCCDC-QFIPXVFZSA-N 447.512 4.721 30 10 IJEE O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 20508878 UMWCIRXTWCZBJP-ZLWNKQBNSA-N 445.500 4.550 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 34955297 QVOBTQAZKACMSU-CXUHLZMHSA-N 446.455 4.606 30 10 IJEE O=C1/C(=C/c2cccc(F)c2)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 41657866 OFHUEABDMDJYQJ-AQHIEDMUSA-N 431.419 4.523 30 10 IJEE CC(C)c1nnc([C@H](C)Sc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)o1 59879240 VOCMZWVZPWGXTI-YIFSTYHKSA-N 426.333 4.917 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921417 GEGMEHODBSPBNW-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE CCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2ccc(F)cc2)C2=C1CCCC2=O 169933123 VGRFANVSJIJSIA-QFIPXVFZSA-N 440.540 4.672 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccc2)cc1 170054646 VTJNSTZXHJHGOG-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 170055354 QYYNGSHGQXSLNS-XMMPIXPASA-N 443.474 4.582 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccco2)cc1 170095652 JRQLKKFFEMCVPY-JOCHJYFZSA-N 430.460 4.583 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170096263 OSMGAWOWZQANIS-HSZRJFAPSA-N 442.471 4.591 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)cc1 170114413 KONKZMIBWZVSQC-DEOSSOPVSA-N 443.499 4.946 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1cccc(C)c1 170148248 QMGMLMHUTVAVRO-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3cccs3)ccc2O1 170154456 QFDHAXFFWQFNKK-ZUOKHONESA-N 437.542 4.912 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccn2)c1 170176850 FYGYBCIDFHKLCO-NRFANRHFSA-N 436.414 4.541 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1 170188982 KTIDKYMDZVARSG-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1C 170274273 LFSKRGQISKAYBH-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)cc1C 170297170 NTVXPWAOAOXYCX-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccnc1)c1cccs1 170417181 PUNNBFDRXZMGHY-SFHVURJKSA-N 444.434 4.940 30 10 IJEE COc1ccc(O)c(-c2cc(-c3ccc(C#N)cc3)cc(NCCCn3ccnc3)n2)c1 247873450 FRBRKQCRURKGBY-UHFFFAOYSA-N 425.492 4.700 30 10 IJEE COc1cc(-c2nc3ccccn3c2N=Cc2c[nH]nc2-c2ccc(F)cc2)ccc1O 254740017 JPRIDPQRMCFKMR-UHFFFAOYSA-N 427.439 4.995 30 10 IJEE CCCCCCNC(=O)c1c(N)n(N=Cc2cccc(C)c2)c2nc3ccccc3nc12 254816718 PTSRBVORHRUPIW-UHFFFAOYSA-N 428.540 4.667 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)Cc2cc(Cl)ccc2F)nnc1-c1ccco1 433988533 RRKVFMCWHFOEFM-UHFFFAOYSA-N 434.924 4.657 30 10 IJEE CCCc1c(NC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)cnn1-c1cccc(C#N)c1 439677604 IJKBILDJFUHROS-HOYKHHGWSA-N 429.524 4.690 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 446121972 JVOJMVKURLKWSX-IBGZPJMESA-N 429.402 4.818 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 460781950 LMXQAEQDJMRDDX-LJQANCHMSA-N 448.523 4.512 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@H]1C 477841395 GSLONIOAGAGLKJ-OSPHWJPCSA-N 425.488 4.647 30 10 IJEE Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)nn1-c1ccc(Cl)cc1Cl 504577544 LGRQVRBLXWQRLW-FQEVSTJZSA-N 437.327 4.688 30 10 IJEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508481081 NAIFQDSTKCRZDF-UHFFFAOYSA-N 443.551 4.917 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508862540 FEPVXGMNTGYNKZ-QGZVFWFLSA-N 441.626 4.914 30 10 IJEE C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 514364418 GXJQOFFDUAAXDF-SNVBAGLBSA-N 430.942 4.931 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526803446 ZKQWMJOEAYAUMJ-UYOCIXKTSA-N 441.315 4.872 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 549680188 BRBPPUKFPUACLO-UHFFFAOYSA-N 443.020 4.913 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCCCO2)cc1 559208451 VZMFSRCJYSFXIR-IBGZPJMESA-N 425.602 4.578 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N[C@H](c3ccccc3OC(F)F)C(F)(F)F)C2=O)cc1 582221210 CGCJLSJCDUHHHV-SJLPKXTDSA-N 439.384 4.548 30 10 IJEE CCOc1ccc([C@H](O)C[C@H]2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)cc1 606656542 GZPQYGXGGYVYRO-IAGOWNOFSA-N 425.337 4.735 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 608843344 KMNKXLFHQUKOAB-LJQANCHMSA-N 442.947 4.781 30 10 IJEE Cc1nnc(SCc2c(C(=O)NCc3ccc(C#N)cc3F)oc3ccccc23)s1 609229511 WFBRVGDCZDBMGU-UHFFFAOYSA-N 438.509 4.826 30 10 IJEE C=CCn1c(SCC(=O)NC2(C)CCC(F)(F)CC2)nnc1-c1ccc(Cl)cc1 680045446 KTBMQFUKLMPZFS-UHFFFAOYSA-N 440.947 4.961 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc(F)cc1 735970231 YFEXNAMVJAMBNV-GOSISDBHSA-N 447.919 4.547 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741365181 AQVGBSGLIFEGNE-CVEARBPZSA-N 425.790 4.988 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1cnn(Cc2ccccc2)c1Cl 803713976 GOVHCLZJCOZKIQ-UHFFFAOYSA-N 441.940 4.658 30 10 IJEE C#CCOc1c(Br)cc(/C=C2/S/C(=N\CC)N(CC)C2=O)cc1CC=C 1084056300 ANYYOMSBERJFPP-CWOOXZEWSA-N 433.371 4.502 30 10 IJEE Nn1c(NN=Cc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 1084141265 VMHBNTJMXKAFDN-UHFFFAOYSA-N 427.748 4.690 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)CCCN1C(=O)OC(C)(C)C 1128939931 QCVXEMQRYRQVDI-AREMUKBSSA-N 449.551 4.585 30 10 IJEE C=CCC1(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)CCOCC1 1129645119 JRFGQDGASHHHFV-UHFFFAOYSA-N 438.753 4.659 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(C(F)(F)F)cc1 1137721512 DEFSJRYNUKDQMU-ZSYWTGECSA-N 438.490 4.942 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 1141872948 GKDSFCNGTORKLF-NRFANRHFSA-N 425.326 4.843 30 10 IJEE C#C[C@@](C)(CC)NC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1158491966 MSQLOWYENRPXAT-PPHZAIPVSA-N 430.548 4.566 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@H](C#N)C1 1162686198 CIVAWKBVIMNMJG-CEYNDMKZSA-N 443.547 4.668 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CNc2cc(Br)c(C#N)cc2F)CC1 1164372093 MYJVXJFXLSSZML-ZDUSSCGKSA-N 426.330 4.909 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2cc(Cl)ccc2Cl)CC1 1171741348 NLUBKRKGCNWUFA-MRXNPFEDSA-N 438.424 4.780 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)cc1F 1189383443 OGODXCZHRJYTSA-UHFFFAOYSA-N 448.741 4.940 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(Br)cc1 1197311951 FDLWKJZTDVRHRE-KRWDZBQOSA-N 446.732 4.725 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)NCCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1 1221438309 BZSCZXOXSBGWLU-JOCHJYFZSA-N 435.568 4.553 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(OC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 1230693047 ADZOSMQTHIMUCG-GOSISDBHSA-N 427.467 4.585 30 10 IJEE C=C1CCC(CNC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)CC1 1255139930 JEQZKHNJXCGKIY-LEWJYISDSA-N 431.552 4.574 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1264166091 RGXZGQLPEAVAIE-FQEVSTJZSA-N 440.609 4.871 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)cc1 1269315003 VYWHBRJKYFMUMD-HXUWFJFHSA-N 443.487 4.645 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)CCCN1C(=O)OC(C)(C)C 1277700418 JRPUZCANOITLCU-QFIPXVFZSA-N 430.936 4.810 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286318763 WEDFWLCOORUKCU-BBTUJRGHSA-N 430.980 4.736 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286333340 DSYISAXLHOAGQA-NRFANRHFSA-N 443.636 4.508 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1286342449 CPDBHYJUKAOOON-FQEVSTJZSA-N 444.457 4.857 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCC(OC)CC1 1286415886 IEAVMGGSRZQRHF-UHFFFAOYSA-N 443.016 4.502 30 10 IJEE C=C(Br)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC=CCC1 1286531005 GMUBCWVSMGLTKJ-UHFFFAOYSA-N 442.130 4.522 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286691869 STINRPHOMOGTCR-RDPSFJRHSA-N 442.629 4.619 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1286707894 LMATZUKDMIRYDS-OAQYLSRUSA-N 449.599 4.540 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1286710799 DALCTHVIXCLAEP-UHFFFAOYSA-N 425.621 4.849 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC)nc1)C1CC1 1286731525 AFNSCAVGLMDXEN-IBGZPJMESA-N 433.556 4.642 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1286750771 GXLGLVLJWFMUHK-RJGXRXQPSA-N 443.680 4.743 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)c(F)c1 1286764544 SEFTUGPVDSKYGM-OAQYLSRUSA-N 428.483 4.674 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)s1 1289636952 IEDMLGBJTUTHCR-RBBKRZOGSA-N 435.597 4.884 30 10 IJEE CCc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@](C)(O)c2cc(C)oc2C)cc1 1292475928 FRLQEZDQEVXRKT-SANMLTNESA-N 447.583 4.755 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cnn2ccccc12 1300613424 GUULQNXCNDNQTB-UHFFFAOYSA-N 442.567 4.526 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCC1CC(OCC)C1 1300644108 XZTIFZWLTPCGDX-UHFFFAOYSA-N 436.531 4.831 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCC1(COC)CCC1 1300790046 FQDUFHIRJMDMQS-HSZRJFAPSA-N 442.991 4.806 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2sccc2C1 1301000281 PKKRAXCDFHWQAI-UHFFFAOYSA-N 438.597 4.691 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2CCOCC2)CC1 1301070595 QEHBZOKPTPCFBJ-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N(CC)CC)CC1 1301106427 UKGYPBOEOVUXMH-RBUKOAKNSA-N 429.584 4.690 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCC(C)CC2)CC1 1301127677 QDYTYNBACXCBLS-UHFFFAOYSA-N 428.024 4.657 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1301137205 NGQHXBDAANOFMA-OAQYLSRUSA-N 439.604 4.759 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301155047 FGGLHMZBDBOCMC-FQEVSTJZSA-N 429.634 4.632 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1301202535 LJKBEOXSXWJUDK-LJQANCHMSA-N 429.584 4.834 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCC(C)CC1 1301273127 OCTDJWZDZWZQNR-QFIPXVFZSA-N 425.621 4.779 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCCN1CCCO[C@H](C)C1 1301363654 YBYPNEUVTBVASM-HXUWFJFHSA-N 443.661 4.691 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1cccc(C(C)(C)O)c1 1301412781 JONKECLXCJCISC-UHFFFAOYSA-N 436.600 4.971 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1301556257 HFDUQUAKEYXWDU-DEOSSOPVSA-N 437.632 4.543 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(SC)CCC2)C1 1301567780 YCVCMLZXSGTWDH-HXUWFJFHSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)c1cccs1 1301601526 FMMDREADXCKHPA-INIZCTEOSA-N 442.610 4.894 30 10 IJEE Cc1cnn(CCn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)[C@@H](C)CC#N)c1 1304602789 CXKFGYYNHNTXPE-KRWDZBQOSA-N 449.559 4.756 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccccc3COc3ccccc3)CC2)c1 1310171398 DMSKOCHIBJCGCU-UHFFFAOYSA-N 440.547 4.923 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c1 1310256183 CKHUGBRHMHTHOW-IAGOWNOFSA-N 443.466 4.561 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1-c1nncn1C(C)C)c1ccc(Br)cc1 1310385915 KEKUOZKRNIJTFZ-SFHVURJKSA-N 438.329 4.785 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc1 1312736012 HBDFLFVBJZBLOO-UHFFFAOYSA-N 446.469 4.718 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCCC[C@@H]1C 1315321532 FQKWOKRDPZHKJK-MSOLQXFVSA-N 445.011 4.610 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCSC1)[C@H]1CC[C@@H](C)C1 1316077294 IDTHUPMGCSMCDS-CBQOVEMMSA-N 439.629 4.601 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 1353667943 SUKMZKIIDPNIDJ-UHFFFAOYSA-N 432.501 4.996 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCN(c3ccccc3F)C2)cc1 1356067734 ALTMWCZEFPGGCJ-JOCHJYFZSA-N 431.486 4.892 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCc2cc(OC)ccc21 1359004567 BKVJBZUKLQMRPB-IBGZPJMESA-N 435.959 4.582 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 1359048836 CDKFQOHDHRSJTA-HXUWFJFHSA-N 426.630 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1N(C)CCCC1(C)C 1359111027 LYFKBKRCDGSSRF-QHCPKHFHSA-N 447.631 4.654 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)c2c(C)noc2C)CC1 1359169489 KFGSLOCTWCZVNX-OZOXKJRCSA-N 427.593 4.762 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(C)ccc1F 1359187044 AKSMDQNLKUJKCI-UHFFFAOYSA-N 439.535 4.692 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H](C)C#N 1359200085 RLLRLKPGCBUTIU-OAHLLOKOSA-N 432.366 4.668 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1359200591 KZKLBOUQNSRJAV-UHFFFAOYSA-N 436.991 4.672 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1359202057 IAIVREIVQOLBRC-FQEVSTJZSA-N 448.615 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1csc(C)c1 1359236022 WMYHAYCPVBBMPP-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1Cc1ccc2c(n1)CCCC2 1359244623 KDILDICVZCTLFD-UHFFFAOYSA-N 435.597 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1c(C)noc1C 1359267625 MRUAAGNGADGBDD-ZDUSSCGKSA-N 445.365 4.623 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1359343327 QTDAJFKFWVXZIT-JOCHJYFZSA-N 446.636 4.875 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2cccc(F)c2)CC1 1359477722 DTBQWDPVSOUVJB-DUXKGJEZSA-N 439.579 4.663 30 10 IJEE C#CCN(C(=O)COC[C@H](C)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1360556825 DWORYNSERLXAOQ-LAUBAEHRSA-N 442.353 4.555 30 10 IJEE C=CCCC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CCCC1 1437628365 PONKPCXSGXPKTE-UHFFFAOYSA-N 446.657 4.854 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)C3CN(C4CCCCC4)C3)s2)c(C(F)(F)F)c1 1441724789 DIWWYPYMYJCURJ-UHFFFAOYSA-N 448.514 4.827 30 10 IJEE C#C[C@H](NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1)c1ccc(Cl)cc1F 1449320424 RYKPVYMJYLGVRD-SFHVURJKSA-N 449.338 4.604 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2SC(C)C)ccc1F 1456180590 QCCLAWZBMIGWGL-UHFFFAOYSA-N 442.965 4.696 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(COC3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1456657977 IFDRBTSGOLHUCH-RUZDIDTESA-N 426.557 4.877 30 10 IJEE N#Cc1ccc(CN2CCCN(c3nc4c(Br)cccc4s3)CC2)cc1 1458079852 GJZOSUKCAROTRA-UHFFFAOYSA-N 427.371 4.643 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1OC 1458324641 ZFKUSSBIGJLVBU-CVJKAFSHSA-N 446.459 4.909 30 10 IJEE C=CC[C@]1(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1460490059 BARNCRMECNFHHG-OAQYLSRUSA-N 443.371 4.834 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2CCOC[C@H]2C)c(Cl)c1 1461669878 ICTOMBADQGQRKW-OAHLLOKOSA-N 449.776 4.952 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Br)cc1 1465402332 JFHQSFDWIRWJSJ-UXHICEINSA-N 429.314 4.503 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(C(F)(F)F)cc1 1469491001 IMKCMAOTGAGMKE-PMACEKPBSA-N 431.458 4.839 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)[C@@H]1CCCO1 1469869327 YIAHPHFUESJMCD-DQEYMECFSA-N 434.580 4.903 30 10 IJEE C#C[C@@H](NC(=O)N(CCCO)[C@H]1CCCc2ccccc21)c1ccc(Br)cc1 1470663772 RIRLYTPCWXZJQY-YADHBBJMSA-N 441.369 4.595 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1470667837 TULANUAYNYJYHA-XXBNENTESA-N 449.954 4.729 30 10 IJEE CCCN([C@@H]1C[C@@H](OCC)C12CCCC2)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1474985272 GBOISUDIEWQHMY-RTBURBONSA-N 444.519 4.716 30 10 IJEE C/C(=C\c1ccccc1)CN(C)C(=O)Nc1ccc(C#N)cc1I 1477093930 CDDVFRGLXIDORX-GXDHUFHOSA-N 431.277 4.730 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Oc2ccccc2)nc1)c1ccc(Br)cc1 1477728080 WDPAFNSFKLQKDI-HXUWFJFHSA-N 436.309 4.810 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOC)CCCC1 1507602610 DVGVXYGJRPYNSK-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507672603 FMUIHJMQAYTLBL-UXHICEINSA-N 444.501 4.922 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1507744866 PTSKXJBVDCSUBB-UHFFFAOYSA-N 441.004 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@H](C)C1 1507764612 NVVIIYYHGKIVKL-HRRBBWQUSA-N 449.643 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)cc1C(F)(F)F 1507815266 AUCHPZMLTBVCMX-QGZVFWFLSA-N 438.494 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1sc(C)nc1C 1507822965 BRBFIZYYORTUNW-UYAOXDASSA-N 431.650 4.915 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCSc2c([nH]c3ccccc23)C1 1507837195 KFQFJRGBOACACU-QGZVFWFLSA-N 425.602 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CCOCC)CCC2)CC1 1507877631 LYYONPCZOFKLFJ-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)COc2ccccc2OC)CC1 1507905949 DNWDEQLEKRFVFX-IBGZPJMESA-N 447.583 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1507911295 KFKSBIIBGRIZSV-LLJLJFOGSA-N 445.007 4.974 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cccs2)CC1 1507944833 ZZLUPUUIAGDDDQ-UHFFFAOYSA-N 444.004 4.961 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1sc(C)nc1C 1508004950 MLEKFNHQKIAYGP-UHFFFAOYSA-N 434.544 4.793 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1508009444 YIQFPCKGZYMPNA-RUZDIDTESA-N 440.563 4.926 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1Cc1sc(C)nc1C 1508032843 IKOFPAGPEJKGBS-UHFFFAOYSA-N 439.610 4.880 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1cccs1 1508106810 ZHGBBSMNRUAKBF-QGZVFWFLSA-N 432.553 4.607 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCSC)C1 1508120116 YXRYZYXRRDIXAZ-SJLPKXTDSA-N 432.659 4.666 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CC2(C)C)ccc1Cl 1530098332 NNIDVTDMIBLWLN-GOSISDBHSA-N 447.000 4.839 30 10 IJEE N#C[C@H]1CN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CCN1Cc1ccccc1 1530964936 HVCDXYNFCLTBGE-NDEPHWFRSA-N 437.587 4.715 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C(F)(F)F)cc1 1532559922 XDNGLBKJKRQHTK-HNNXBMFYSA-N 428.160 4.799 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1OC 1537411104 LQKYUEIHYOZZAG-NPZWJPSSSA-N 427.928 4.915 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1538985463 AFAKOFRFARXOCW-FHWLQOOXSA-N 446.014 4.954 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1539096005 OTXWDBIWMSLOGZ-YLJYHZDGSA-N 435.597 4.794 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(O)(CCC)CCC 1539246693 VVEYYJXEJHJCEI-IBGZPJMESA-N 438.641 4.536 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H]1C)c1ccccc1 1539766866 YEEAAWYSANIDOW-WBVHZDCISA-N 440.389 4.994 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCn2ccnc2C)CC1 1539873720 BNVDNLLDSHKWHV-FQEVSTJZSA-N 434.588 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1539909522 MONHCOXTFUUMTB-UHFFFAOYSA-N 449.599 4.922 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1539955472 YTUNRHDLFRFXOX-LJQANCHMSA-N 428.577 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCC1(F)F 1540139741 LLGALAGRLFRDMD-KRWDZBQOSA-N 449.571 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccnc(SC)c1 1540164534 RENSMUTVSQNGBL-UHFFFAOYSA-N 444.564 4.944 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(F)ccc2SC)C1 1540886895 LGCFGGVQOODKLT-SFHVURJKSA-N 428.533 4.537 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1sc(C)nc1C 1555903519 DPQUEDJHVKWPFS-AWEZNQCLSA-N 426.615 4.516 30 10 IJEE C=C(C)CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1cnn(C(C)C)c1 1559830751 PRSJXAQRXOGDQE-UHFFFAOYSA-N 438.572 4.912 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 1561358516 IYGVRSNKFCVBMP-UHFFFAOYSA-N 430.570 4.673 30 10 IJEE N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1F 1561653140 HBWTVRDLFMBPRS-UHFFFAOYSA-N 445.313 4.605 30 10 IJEE C#CCN(C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1564705410 ARIROYKCXYWJDV-CTNGQTDRSA-N 443.563 4.506 30 10 IJEE C#C[C@H](NC(=O)N1Cc2ccccc2OC2(CCC2)C1)c1ccc(Br)cc1 1565000177 TWXCLAHNKIIQOD-IBGZPJMESA-N 425.326 4.650 30 10 IJEE Cc1nc(SC2CCCC2)sc1CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1565569129 AFNNEEGMMSEAPW-UHFFFAOYSA-N 443.594 4.747 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 1567926474 NWMQUDFFENVYEW-NRFANRHFSA-N 436.543 4.996 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1CN1CCC(C)CC1 1568685946 KQKAWLAPWQAECR-UHFFFAOYSA-N 444.579 4.599 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2)nc1 1584065889 PDARXSRDXUKVKI-HXUWFJFHSA-N 425.529 4.740 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@](CC)(C(=O)OC)c1ccccc1 1584888262 UPDXRHBKUFSGOR-JOCHJYFZSA-N 435.442 4.521 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1C(F)(F)C12CCC2 1587587137 YHZUMYJFTUVNDO-YPMHNXCESA-N 441.345 4.662 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(CCOC)CCCC1 1588104966 FYFBVZOKKACOAI-UHFFFAOYSA-N 432.612 4.912 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(C)CCCO1 1588186093 RSLHNAWPUQLUCU-HSZRJFAPSA-N 438.984 4.845 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@H](SCC)C1 1589110057 PAJUZNSKBIRCFV-NRFANRHFSA-N 444.670 4.644 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@@H](SCC)C1 1589110058 PAJUZNSKBIRCFV-OAQYLSRUSA-N 444.670 4.644 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1594089854 AOSBZNDYRNFWON-HXUWFJFHSA-N 443.979 4.667 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2CCCCO2)CC1 1594430817 QENFMWCPQWKMJO-NRFANRHFSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1594455091 LHUNBPGSSDRLKQ-KRWDZBQOSA-N 429.634 4.854 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1594591247 PDVNRCHSJQHHSQ-SFHVURJKSA-N 425.968 4.597 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCCOC)C1 1594698353 OINHYRPUYLWQOD-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nnc(C(C)(C)C)s1 1594857890 SYOKTXWVNOCZOI-CQSZACIVSA-N 447.008 4.891 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1595127007 BEQDWDFGKQEPQA-KRWDZBQOSA-N 443.567 4.648 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1CCc1csc(-c2ccccc2)n1 1595212736 SCNOSBNRTLLTGS-HXUWFJFHSA-N 435.597 4.717 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2F)C1 1595895725 PMKWOTABZPQOSR-FQEVSTJZSA-N 444.601 4.567 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccccc1 1603510299 JKKNLFKKVFGPKJ-DEXQXJORSA-N 437.348 4.586 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2Cc2sccc2C)cc1 1616396721 HFNCABYIVVGAAV-QZTJIDSGSA-N 439.585 4.973 30 10 IJEE C=CCN(C(=O)CN1CCO[C@H](C)[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1616475932 JQIVJVFNTSXKLZ-ZIAGYGMSSA-N 440.396 4.745 30 10 IJEE C#CCOc1ccc(NC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1 1623086445 IYVJRNSJLFDIGM-LJQANCHMSA-N 431.355 4.860 30 10 IJEE C=C1CC(C)(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 1623993055 GQJPHJQOTDRHSB-UHFFFAOYSA-N 449.370 4.853 30 10 IJEE CC[C@H](C#N)C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 1624569529 FEDYYVWVCHTFBL-BVAGGSTKSA-N 428.532 4.878 30 10 IJEE C[C@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1624981843 CKEQMCGBZFPDEY-YADARESESA-N 444.579 4.767 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC1 1626154445 MWWCVEAYGCVFRW-QHCPKHFHSA-N 438.955 4.905 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 1626506062 RADSPLDYIRZBES-NHCUHLMSSA-N 428.573 4.616 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3ccccc3)c3ccc(OC)cc3)n[nH]2)c1C 1629084842 VDNJFWLTCNBMPM-RUZDIDTESA-N 441.535 4.604 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 1629718514 CSFJAFFHRHMOPL-CLJLJLNGSA-N 426.516 4.943 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccccc1Br 1631547351 DKCMKQCENQPZTO-QAPCUYQASA-N 439.394 4.746 30 10 IJEE C#CCN(CC(=O)N(Cc1cc(C)nc2ccccc12)C1CCCC1)C(=O)OC(C)(C)C 1632620973 QRCGTNHFNYOBNY-UHFFFAOYSA-N 435.568 4.685 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C)C(=O)OCC 1635697886 FTXAXIWMDFLQEO-HSZRJFAPSA-N 431.536 4.784 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C 1636082179 IFNBPWABCVYCAJ-OAQYLSRUSA-N 440.588 4.862 30 10 IJEE C#CCN(C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)[C@@H]1CCCc2ccccc21 1639113816 PKSOXMBEBDTDGG-DRLORSAXSA-N 437.584 4.641 30 10 IJEE CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1640947029 FOICKDUOIGWNDC-UHFFFAOYSA-N 447.970 4.519 30 10 IJEE C#C[C@H](NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 1641283290 OUHLXTOOBCQGJZ-LOSJGSFVSA-N 431.507 4.955 30 10 IJEE Cc1cc(N(CCC#N)C(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)ccc1Cl 1644158755 CVUVEWRTEBVBBA-UHFFFAOYSA-N 443.931 4.933 30 10 IJEE C[C@@H]1CCc2c(sc3nc(CCC(=O)N(O)Cc4ccccc4Cl)nc(O)c23)C1 1649041376 RMLOZXSPFUSZPW-GFCCVEGCSA-N 431.945 4.526 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(Oc2ccncc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385790 XAMMZBNRUOONNN-UHFFFAOYSA-N 449.551 4.657 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(Br)c1F 1650764981 MUKZHWYAMQZWKR-UONOGXRCSA-N 426.330 4.955 30 10 IJEE C=CC[C@H](Sc1nc2ccccc2c(=O)n1-c1cc(C)c(Cl)cc1OC)C(=O)OC 1651535992 ICGUQTIILADLOS-IBGZPJMESA-N 444.940 4.566 30 10 IJEE C=CCn1c(SCC(=O)NCCCCCC)nc2sc3c(c2c1=O)CCCCC3 1652357885 OJSGHQSMWKWVKP-UHFFFAOYSA-N 433.643 4.702 30 10 IJEE COc1ccc(CCN(CC(=O)Nc2sc(C)c(C)c2C#N)Cc2ccccc2)cc1 1652437263 BNKSINANTMABHZ-UHFFFAOYSA-N 433.577 4.929 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(c2ccc(Cl)cc2)CC1 1653387251 CGFWQULRHZUEON-GOSISDBHSA-N 425.960 4.863 30 10 IJEE C=CCOc1ccc(CNc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cc1OC 1656037789 GWMQZTGIEQXSCK-SFHVURJKSA-N 441.547 4.824 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1 1658320743 MMZMXYFCZHPOMV-JOCHJYFZSA-N 427.570 4.546 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCC/C=C/c2ccc(Br)cc2)cc1 1658516567 SIRUYTYZXBAKFS-HWKANZROSA-N 428.330 4.590 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)CCOCC1 1659121951 HBOGSDUQMRXEKO-QHCPKHFHSA-N 433.552 4.911 30 10 IJEE C#CCCCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1659257864 KFHNWJYEQJVACB-IBGZPJMESA-N 435.376 4.939 30 10 IJEE C=CCOc1ccc(CN[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)cc1OC 1662536099 GBCYANHSPAVYHA-AJTFRIOCSA-N 449.522 4.940 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Nc3ccc(N4CCOC(C)(C)C4)cc3OCC)cc21 1664929310 LKOZAALTOXMTDI-UHFFFAOYSA-N 449.555 4.880 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(NC(=O)C2CC2)ccc1C)c1ccc(Br)cc1 1667838479 HRUPZTWUAKLCPB-SFHVURJKSA-N 426.314 4.602 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 1668370747 PLUWXNDAPBGZNE-RUZDIDTESA-N 427.548 4.968 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc2cc(F)ccc2o1 1669894154 DRQCUUCVMPQQOU-LBPRGKRZSA-N 426.391 4.694 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1670658923 DPXMUZWCTGZZFO-HNNXBMFYSA-N 435.337 4.680 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1 1670845556 RBAJHBKLFQJQAE-ROUUACIJSA-N 428.330 4.509 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1)C(C)C 1674145757 QOAJFFPKZGRQFW-RTWAWAEBSA-N 434.422 4.994 30 10 IJEE C#CCCCCNC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1675937661 TVQXCNQQWYPSSR-OAQYLSRUSA-N 427.639 4.672 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)c3ccc(Br)cc3OC)cc2n1 1680704365 SBZRWUAIOBXFGK-ZDUSSCGKSA-N 429.318 4.876 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12)[C@H]1CCCO1 1681592696 HVRIDBMKVCJFTC-AZGAKELHSA-N 428.532 4.741 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1683815228 UJBAEERKROXQPG-FNAHDJPLSA-N 427.589 4.824 30 10 IJEE C#CCN(C(=O)NCC(F)(F)C(C)(C)C)[C@@H]1CCOc2ccc(Br)cc21 1684251729 BTGUITBRKAAPRM-OAHLLOKOSA-N 429.305 4.599 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1690294402 BSNIQEQDWQLXJR-FQEVSTJZSA-N 437.613 4.686 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690436002 KAPIOODZYPGGGK-NRFANRHFSA-N 434.588 4.741 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)C(F)(F)F 1690520161 LRBZWTWWNMJCJT-UHFFFAOYSA-N 447.299 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1690523886 RVLAKEPRYCXGCO-KRWDZBQOSA-N 438.576 4.552 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1cccs1)N(C)C 1690534668 GZNQLVFXXGHULH-IBGZPJMESA-N 427.643 4.865 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1690733521 GXIWYQWTINHVPC-UTKZUKDTSA-N 432.609 4.800 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 1692369397 CXOTXXUBHYSPRQ-SFTDATJTSA-N 434.632 4.810 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)OC 1693974178 HNGIZLYOXRLAAJ-WZONZLPQSA-N 434.588 4.541 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](CC)C1 1705526768 LEAHKDWXXXPBIC-ZDUSSCGKSA-N 425.421 4.514 30 10 IJEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCC(C)(C)C)CC1 1705635865 OGMYPEJLKYKWQU-IBGZPJMESA-N 439.673 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705696695 ICMCLEJRWDKGNW-ZDWTUXFCSA-N 446.542 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CCC1 1705697253 KNOPGNFYQCMAOM-ICSRJNTNSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)CCc1cccs1 1705707965 VEJUTRZXPRIVQL-HMXCVIKNSA-N 430.618 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)C[C@H](C)C1 1705708725 GKEOKVLFKFWYAS-JBAWTIAASA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H](C)N1CCc2ccccc2C1 1705719092 LEAGGVBJBOLXQV-FQEVSTJZSA-N 435.641 4.780 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1705759603 RKGVUOBJWXEUFK-QGZVFWFLSA-N 438.428 4.651 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1705795281 GOXHQDUOTSSQAN-IBGZPJMESA-N 442.608 4.692 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)=C(C)C1)c1ccccc1 1705795444 KFKDNBODNRKECN-JOCHJYFZSA-N 442.567 4.832 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCN1CCC 1705836652 AOQOBEWQESGFHN-IBGZPJMESA-N 432.410 4.594 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1cc(Cl)ccc1OC(F)F 1705881700 YHDJGOYFWTUPHX-UHFFFAOYSA-N 428.911 4.518 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705889010 ARKWRQQOJPSMBO-QGZVFWFLSA-N 443.345 4.672 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1705945804 SGULPKISICGMQU-CYBMUJFWSA-N 447.552 4.551 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCO[C@H]2CCCC[C@H]2C)cc1C 1707531598 CJLTWDGLODAUAT-LSWJPFSZSA-N 439.604 4.808 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CC(C)(C)c2ccccn2)n1 1707582924 GRINZIQEVVQKFR-UHFFFAOYSA-N 437.551 4.529 30 10 IJEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)n1 1707614760 GBEPRMONSUIZRJ-LJQANCHMSA-N 444.583 4.547 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1nc(C)cs1 1722275735 BDEVVGUVEODSNP-UKRRQHHQSA-N 444.402 4.734 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722338797 SRSGWGFGXSXRNN-GBXCKJPGSA-N 436.600 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCC(F)(F)CC1 1722468117 IZFPTLBIFDUGOI-HSZRJFAPSA-N 444.526 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(F)(F)F)cc1C 1722473285 CCKVTHAUHCILLZ-PGRDOPGGSA-N 432.490 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)OC(C)(C)C 1722511797 MDYGSRJZKVQIHP-UHFFFAOYSA-N 449.983 4.534 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ncccc2F)CC1 1722520636 CIWVNTMHASGATG-UHFFFAOYSA-N 434.563 4.679 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC2(CCCCC2)C1 1722555664 DSXMKBFWQFVJIW-UHFFFAOYSA-N 430.980 4.766 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[C@H]2CCCCO2)CC1 1722583795 YRJVWOAFMNQSIT-JOCHJYFZSA-N 440.588 4.617 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)c1ccccc1 1722598024 YPUFKEIMJTYOLP-RQNQAMLKSA-N 438.616 4.611 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1csc(C)c1 1722659851 FEKYOQAOKMTEOK-FQEVSTJZSA-N 426.561 4.922 30 10 IJEE CSC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC#N 1731022781 GGPDBJMECRRERI-LBPRGKRZSA-N 440.386 4.727 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(OC(C)(C)C)nc1 1740545418 MUSXLDJRJQBGBZ-GOSISDBHSA-N 440.551 4.572 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCS[C@H](C)[C@H]1C 1740572503 MULMHFNMUZEJTE-HZPDHXFCSA-N 433.419 4.841 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1740676037 OZTKUNFJBLAQSM-NHCUHLMSSA-N 439.623 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CC)C1 1740756446 PIKXVGJXSPTOCQ-YDHSSHFGSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)CN2CCCC2)CC1 1740833860 YKNXJDNBZWHUFT-UXHICEINSA-N 441.595 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C2CCOCC2)C1 1740849664 RMYUZQLNACPNOG-QFIPXVFZSA-N 438.616 4.733 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740893331 GJGNZTHPOCKCRH-PMACEKPBSA-N 447.631 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740895688 QJKQTEPEFFVSBD-MRXNPFEDSA-N 431.968 4.620 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCSC1 1740920037 AZLARESGPXPPOI-FQEVSTJZSA-N 437.588 4.739 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1nc(C)cs1 1740923492 NDJCDGBQQGSYEJ-NVXWUHKLSA-N 429.615 4.605 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1740933164 JBYVRKAPRJDUCQ-OAQYLSRUSA-N 448.514 4.559 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740943296 DONVEFQMUSBIJE-NRFANRHFSA-N 439.604 4.842 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccccn1)c1cccnc1 1741311010 FCGCCBXDPYVKIT-XMMPIXPASA-N 437.551 4.683 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1744266429 HTBJYROLKLHZSX-UHFFFAOYSA-N 437.498 4.609 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(CC(C)C)C1 1745624484 DXXKGVYWRAQPCG-QHCPKHFHSA-N 434.632 4.811 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)c1cc(OC)cc(OC)c1 1748707066 ZQKMMXJMDJRRIK-UHFFFAOYSA-N 425.920 4.582 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccoc1 1748724120 KXRKBPDOWCHAQY-UHFFFAOYSA-N 443.345 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3ccccc3o2)n1CC(F)(F)Br 1749058788 PWTCYXUDQHXFDN-GOSISDBHSA-N 435.272 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Cl)cc1 1749126664 FPIGIMXBSROBKK-UGKGYDQZSA-N 439.991 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CCC)CCc1cccs1 1749132160 ZIIPGGQBDWTNSE-URVUXULASA-N 444.645 4.674 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCC2)C1 1749280084 BXTGEBGAVXPKQC-UHFFFAOYSA-N 430.980 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](COCc2ccccc2)C1 1749358701 OZPJAQCMNYCCDW-JOCHJYFZSA-N 433.600 4.929 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccco1)Cc1cccs1 1749363435 CUPAUECQXNKUBE-LJQANCHMSA-N 439.585 4.693 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749403856 MSBFBHQJEKGDGW-UHFFFAOYSA-N 442.567 4.540 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1749449421 NLHNHIXZNWDABF-NRFANRHFSA-N 437.613 4.995 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cl)s1 1749541919 WRUFXGCRCAMNDL-UHFFFAOYSA-N 447.967 4.511 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1ccc(F)cc1 1749545108 SVRXSXRCJGJRIW-KRWDZBQOSA-N 441.576 4.613 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1749584578 OBLHYVSLJBTWFB-QFIPXVFZSA-N 432.616 4.876 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCOc2ccccc2C(C)C)C1 1749713183 POJBHHISBGXUCH-HXUWFJFHSA-N 426.605 4.850 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1749744966 RSKRLPBXBCESRF-KRWDZBQOSA-N 428.602 4.516 30 10 IJEE CSC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1750259226 IFZHLANBGOHOIH-OAQYLSRUSA-N 446.020 4.641 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1760097694 ITJGWXHWSNNSOU-MVLYANGWSA-N 442.579 4.999 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](COCC)C1 1760145656 SKWPXHUZMPIIBQ-VQTJNVASSA-N 445.007 4.965 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760179543 ICJSXHNZRGEUTC-LAUBAEHRSA-N 433.021 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CCc1ccc(Br)s1 1760333088 XICFCARXTCBZOH-UHFFFAOYSA-N 434.407 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC1CC1 1760411321 JNHMPDPRLOMQKP-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1760415733 JEKJOSXPQURZOR-QFIPXVFZSA-N 436.556 4.939 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760442271 LCLGGRYPRMNNGN-HXUWFJFHSA-N 436.560 4.516 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@H]1C 1760477665 HMKINAPDNXDKET-NQIIRXRSSA-N 436.556 4.720 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CCSCC 1760510514 AZZZIINFVZQXOV-MSOLQXFVSA-N 437.654 4.547 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1760567007 NACJRYBYIXKFAZ-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(F)c2)cc1C 1862402371 XMQISZIYAZVEBO-XMMPIXPASA-N 445.490 4.964 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2c(F)cccc2Cl)c1 1862494335 KVQQKWBBUVXTPX-OAQYLSRUSA-N 445.918 4.837 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2)c1 1862555067 RBVMWXJWRZITPJ-VPUNUDNGSA-N 428.532 4.816 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1Br 1862566434 VUFPOXKISKYXLT-IBGZPJMESA-N 443.341 4.800 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621380 PHUWLVPAPVDROI-JOCHJYFZSA-N 447.874 4.847 30 10 IJEE N#Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 1865937262 IVSBWWMINJAHDR-UHFFFAOYSA-N 438.665 4.680 30 10 IJEE N#Cc1cc(Br)c(NC(=O)COc2ccc(Cl)cc2)c(Br)c1 1865999380 MHUPZDARGSMGJN-UHFFFAOYSA-N 444.510 4.754 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN(CCCC)CCCC 1870730728 FIKQACAEWDNIMI-UHFFFAOYSA-N 439.600 4.762 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871416225 SEGCTGMEUPKDIM-QRVIBDJDSA-N 430.456 4.985 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3C(=O)O)cc(C)c2C1=O 1871430647 MDONRDPOUHHJRH-ODLFYWEKSA-N 449.484 4.697 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871798795 RQGZYRFQRLWFBJ-RDTXWAMCSA-N 435.417 4.965 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871816127 CKSZSVWFIHKLLN-QGZVFWFLSA-N 434.989 4.887 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(OCC)cc1)C(C)C 1872612453 DTJNEZLRPBBEJI-JOCHJYFZSA-N 440.650 4.645 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)cs1 1872764555 QCCQTXAALAMSNT-HNNXBMFYSA-N 430.316 4.723 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)c([N+](=O)[O-])cc1OC 1872766185 DQMNKTCMYJYJJL-CQSZACIVSA-N 443.868 4.879 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c([N+](=O)[O-])cc1OC 1872771939 GCVYHTGSIBMEME-AWEZNQCLSA-N 441.440 4.673 30 10 IJEE COc1ccc(OCc2nnc(SC)n2/N=C/c2cccc(F)c2)c(C(C)(C)C)c1 1874194054 VGTIBCOJLQTGAR-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccn1C 1874213794 GEABHOZTAJQISD-OEAKJJBVSA-N 429.977 4.832 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(OCC)cc2)nnc1SCC 1874235462 JUAYWPRYXGLOHB-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874267966 YKNCLJKDRQZHQR-YDZHTSKRSA-N 444.944 4.688 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc(OC)c1OC 1874328127 XWEQOGKBKUTJMG-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2F)cc1 1874501620 PZDNUWDLIODENA-ZVHZXABRSA-N 427.549 4.584 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)cc1 1874518404 RGEPTKSTUQVUIP-FSJBWODESA-N 425.945 4.730 30 10 IJEE C=CCSc1nnc(C2CC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874521320 MKRQRMVQQDWGIV-BUVRLJJBSA-N 434.521 4.544 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccco2)c(Cl)c1 1874610369 PMHYMFHSWUXHHI-CSKARUKUSA-N 425.868 4.533 30 10 IJEE C=C([C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[Si](C)(C)C 1923002104 SDTSJAACDJFSOG-OAQYLSRUSA-N 431.697 4.697 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 1924670050 JBIAQHZOIBSZKY-RTBURBONSA-N 430.511 4.973 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cc(Br)ccc1Br 1982457486 JSASZDJJDGPBGS-LSDHHAIUSA-N 448.199 4.551 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2016175748 MSALNOCYDMVZNY-OVCNXMPXSA-N 437.556 4.938 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c(Cl)c1F 2041172285 YYYGUUODFVEHNG-BBRMVZONSA-N 433.749 4.809 30 10 IJEE C[C@@H]1CC[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@]1(C#N)NC1CC1 2055583368 IXEUPAMDKBAGTK-XTBZXYEFSA-N 430.640 4.824 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C[C@@H]1C 2070622653 WQNYFBIBPJEJBR-RZPFDVGOSA-N 446.632 4.526 30 10 IJEE C#CC[C@H](C[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC)C1CC1 2076098685 KONWQQZBVDHTAD-JWQCQUIFSA-N 441.660 4.821 30 10 IJEE C=CCN(C(=O)OCc1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 2081125873 OSIBZWOVDIAPFM-UHFFFAOYSA-N 428.535 4.543 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)ccc(Br)c1F 2089289745 TYSIATCZGFCAIA-CRAIPNDOSA-N 427.358 4.854 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2110509258 ITPYGIHSXIDBOF-IRXDYDNUSA-N 443.813 4.930 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 2159128612 UIOKDAIWVUHVDN-WOJBJXKFSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cc(Br)c(C#N)cc3F)C(C)(C)[C@H]2C1 2174807423 BNLURBSECJMKCV-KGLIPLIRSA-N 438.341 4.542 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181104152 WNGJXFSRYTWVMF-IOASZLSFSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181144080 PQCFMQAEVXIEFY-LSDHHAIUSA-N 436.350 4.590 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CC(F)(F)CNC(=O)OC(C)(C)C 2235718243 LJPADSYMTPZGML-INIZCTEOSA-N 445.348 4.719 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@](C)(NC(=O)OC(C)(C)C)C1CCC1 2235724481 IIZDGORVHSGMFN-XMSQKQJNSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@H]21 2240956414 AXLIEFYVYMDSQL-QIIPPGSGSA-N 435.366 4.696 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2243379961 RJYNKRSDAXKQCK-UHFFFAOYSA-N 431.794 4.919 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2268196166 ZLUHYVUESKNWDI-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1ccco1 2281831234 VRJJEBKAWIDTHE-UHFFFAOYSA-N 448.372 4.633 30 10 IJEE C=CCOc1ccc(C=C2SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2293420636 WZZPVGXOCTYGBE-UHFFFAOYSA-N 439.968 4.697 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296225079 QTJCHBMDNBOTQB-RSPOEFSDSA-N 434.374 4.730 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](N)C#Cc1cccc(Br)c1)c1ccccc1 2296225786 YXOKEJZPVWXBAY-VQTJNVASSA-N 429.358 4.784 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296268170 AXLXPQCTOCJVDW-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296294566 VTPSVQYHPJMWQN-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296294702 XBWBMGOWTACGQY-UYAOXDASSA-N 435.406 4.816 30 10 IJEE Cc1cc(Br)c2c(c1)C(=C1SC(=Nc3ccccc3Cl)NC1=O)C(=O)N2 2297313378 FFNCBCYMYCOOCG-UHFFFAOYSA-N 448.729 4.625 30 10 IJEE Cc1ccccc1NC=C1C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O 2297378383 JCCSPPYOXKMQNZ-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2ccc(OC)cc2OC)C1=O 2297485905 QHXDYCHOOGVFME-UHFFFAOYSA-N 425.506 4.556 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccncc1)C3=O)CN(CCc1c[nH]c3ccccc13)CO2 2322284137 NWHLGLWBXFAIAF-UHFFFAOYSA-N 437.499 4.882 30 10 IJEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)c(OC)c2OC)C3=O)C1 2322371151 KCIPTEZAZDSOHD-CQSZACIVSA-N 439.508 4.587 30 10 IJEE CCCCCOc1c(OC)cc(C=Nn2c(S)nnc2C2CCCCC2)cc1[N+](=O)[O-] 2323482751 DTLZJOSXJXLEJY-UHFFFAOYSA-N 447.561 4.983 30 10 IJEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2324304945 BGIIPGVWEVZMRG-ZDUSSCGKSA-N 431.282 4.784 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O 2324651657 UCNYARQUWFOKCG-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2325452321 VRFDEUZMXAZBHC-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc(OC)c1O 2325631483 DTWZUMPCLSEGJK-UHFFFAOYSA-N 434.521 4.637 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1ccc2c(c1)OCO2 2325723256 JUFKWHUTVPWQRA-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cc(Br)ccc1F 2328870048 DRFHWYJWGSMIMQ-UHFFFAOYSA-N 449.349 4.980 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 2330953223 CKXSDNMOXWBJDO-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 2330970162 AFRNTUIHGVROTQ-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2sccc2C)o1 2331079551 XQLHAHVBGGBMBP-UHFFFAOYSA-N 430.555 4.860 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(Br)c1OC(C)=O 2331373110 AGVHQQDKWHXVGM-UHFFFAOYSA-N 433.298 4.986 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2sccc2C)cc1 2331381053 BSIKGIQQNOQBEA-UHFFFAOYSA-N 427.599 4.867 30 10 IJEE C[C@H]1C[C@H]1N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339598926 JSPXYHXAEZMSSE-PKOBYXMFSA-N 444.381 4.751 30 10 IJEE CCCCCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2 9608566 HNNULLLLXQQGHS-FQEVSTJZSA-N 428.558 4.600 30 10 IJEE C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nc2sccc2c1=O 10494133 SVXJANGQQCDPKC-INIZCTEOSA-N 439.606 4.563 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 21355816 CWKSAIUWYNPLCA-DEOSSOPVSA-N 449.551 4.668 30 10 IJEE Cc1ccc(C)c(N2CCN(/C(=N\c3ccccc3)NC(=O)c3ccc(F)cc3)CC2)c1 32946255 LFEQQMXBHRNDBP-UHFFFAOYSA-N 430.527 4.682 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(O)c1 40077124 ONEIZKKFARZQRO-GOSISDBHSA-N 430.298 4.533 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)Nc2ccccc2)cc1 48573067 ZMRFZLPILDJSEV-PCLIKHOPSA-N 427.533 4.868 30 10 IJEE CN/C(=N\c1ccc(C)c(C)c1)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 59446417 MJPQLCYESNXVGK-KRWDZBQOSA-N 436.364 4.882 30 10 IJEE C=CCn1c(SCC(=O)NC2C3CC4CC(C3)CC2C4)nnc1-c1ccc(Cl)cc1 59794895 WCOOUBCHKBCJDB-UHFFFAOYSA-N 443.016 4.818 30 10 IJEE CCOc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 103102794 NQHZVVLRZIODJZ-LCPUNJGISA-N 434.517 4.785 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)C)cc1 103104876 MUJQIMGPFHXIBT-FEYWKWKCSA-N 438.543 4.713 30 10 IJEE CCOc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1Br 169935370 JTTAENBCIRVZCO-IBGZPJMESA-N 445.382 4.866 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccn2)c1 169998043 CWRWPKPCLYEOAI-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)c1 170144547 OKUORXBMZRYDOP-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccn2)c1 170171216 BYBVKYOTBQRRSC-HSZRJFAPSA-N 444.487 4.605 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccn1)c1c[nH]c2ccccc12 170176459 RKZWOKNUKQAMNI-OAQYLSRUSA-N 431.398 4.624 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccc2ccccc12 170220543 WJVHKBBEIMIIFB-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1 170258539 JXPZXEYZCRWDDC-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3cccc(O)c3)ccc2O1 170261972 PPMUIUBOZMWCSI-CMJOXMDJSA-N 433.504 4.627 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2ccc(C)o2)cc1 170303817 IXWMLTYXBGTIFC-HSZRJFAPSA-N 444.487 4.508 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170367924 LAGFJJXSWMAEKP-LJQANCHMSA-N 441.892 4.899 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1Cl 170385586 FEVOQLYPGSKGAH-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CC(=O)c1cccc(NC(=O)C[C@H]2S/C(=N\N=C3C=C(C)CC(C)(C)C3)N=C2O)c1 254513812 OXSFOEYCEWTMOK-GOSISDBHSA-N 426.542 4.768 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 479522392 BYGYRXCAKWZOMK-UHFFFAOYSA-N 433.577 4.574 30 10 IJEE C=CCc1cc(CNCc2ccccc2-c2ccc(Cn3cncn3)cc2)cc(OC)c1O 507854439 FPXXGOYEBHSLAC-UHFFFAOYSA-N 440.547 4.726 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 508903021 NFBKMVQJOLAJFJ-UHFFFAOYSA-N 433.943 4.809 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(Oc2ccc(F)cc2)CC1 508905189 ZCCVLILCGQGBQF-UHFFFAOYSA-N 429.499 4.866 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508919628 RLZQOSYVOGOGPX-IRXDYDNUSA-N 440.523 4.634 30 10 IJEE COc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 512642370 PAABOIPJZQXEPQ-UPCLLVRISA-N 438.524 4.550 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](OC(F)F)C1 517449641 COBQECGCQZHNCH-KRWDZBQOSA-N 430.455 4.511 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccn2)c1OC 526522886 SHZKHHLEFWIYIU-NRFANRHFSA-N 447.878 4.681 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(N(C)c2ccccc2)CC1 549288243 SEMWHMZVGJPIRC-UHFFFAOYSA-N 431.584 4.581 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@]2(C1)OCc1ccccc12 568773524 MIMPTKJRMRFUBC-WFIHMLKPSA-N 442.563 4.735 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C[C@H](c2ccccc2)O1 569711494 IEEZQGWRCGDTQG-NBGIEHNGSA-N 435.531 4.831 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 580727260 JBFJXEIMBJKJFY-GOHWNWGWSA-N 432.568 4.837 30 10 IJEE O=C(CCC1CCCCC1)NC1CCC(OS(=O)(=O)c2ccccc2Cl)CC1 586507562 MDWNSQTXITZTPR-UHFFFAOYSA-N 427.994 4.833 30 10 IJEE C=C(Br)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 726163235 VFNSKROFJOMNEI-JBACZVJFSA-N 441.369 4.638 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731482880 AWRNXBGMQRPXLG-SPLOXXLWSA-N 444.000 4.534 30 10 IJEE CC(C)Oc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2)cc1 749654718 LEQYAXKRZPCISV-UHFFFAOYSA-O 432.525 4.662 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1=S 765035886 CTTGFJOUVPORGR-KNQAVFIVSA-N 435.597 4.698 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S 774591793 LLGAEMWQYLYPAM-GOSISDBHSA-N 427.599 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ccccc2Oc2ccccc2C#N)C1 778264524 GLZWATNJGIGNRY-GOSISDBHSA-N 435.524 4.727 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1 812189033 YAMJPHMWPACYNR-JOCHJYFZSA-N 431.540 4.622 30 10 IJEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CCCCC1 1124082964 UJRJSOXWPIRFDV-UHFFFAOYSA-N 426.582 4.972 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3c(Cl)cccc3Cl)C3CC3)cc2C1=O 1129535566 LVGURQHJHPPUPW-LJQANCHMSA-N 429.303 4.657 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(Cl)cc1 1129602051 IOEQPSHCPGGDLV-OXJNMPFZSA-N 449.765 4.990 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)CCCN1C(=O)OC(C)(C)C 1154181917 BHBRBZDUTTVTJK-MHECFPHRSA-N 430.593 4.585 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1157507790 JQOPGZDKRRTBRX-GHTZIAJQSA-N 444.934 4.796 30 10 IJEE C#C[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccc(F)cc1 1159134084 WUQHUAZVHDXVSU-OAQYLSRUSA-N 447.897 4.899 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(Br)cc1OC 1178532074 JALGHEGCZRQRBU-UHFFFAOYSA-N 439.147 4.522 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc2c(cc1C)OCO2)c1ccc(C(F)(F)F)cc1 1211149033 QGHQPXWGKOFGJA-INIZCTEOSA-N 427.444 4.728 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2CCCN2CC(F)F)cc1Cl 1214721263 APLPOYDOWUMYDZ-IEBWSBKVSA-N 432.902 4.846 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(Cl)cc1-c1cccc2ccccc12 1217209113 TWMWZXOKMJPNBJ-UHFFFAOYSA-N 428.941 4.883 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1)c1ccc(Cl)cc1F 1221718954 FQPCBSDZEASLPM-YWZLYKJASA-N 434.342 4.941 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccccc1OC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1222168920 NNKSCNOKNGWQKA-IBGZPJMESA-N 443.588 4.579 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C 1251831147 SHJFORXQYHVBNJ-NNWRFLSQSA-N 429.605 4.899 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1264914728 AQCOTZLAYOIKLF-UHFFFAOYSA-N 444.844 4.741 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)cc1 1269750668 VLIDXLOSAHZFMN-LJQANCHMSA-N 430.863 4.620 30 10 IJEE N#Cc1cccc(NC(=O)Cc2c[nH]c3cccc(Br)c23)c1Br 1276487622 AOKMELYADDJMDL-UHFFFAOYSA-N 433.103 4.746 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1286279111 STEVOWNTYAYJEJ-GDBMZVCRSA-N 433.503 4.802 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)c(OC)c1 1286302757 ABNYZVFWLCFQDS-HGHGUNKESA-N 445.007 4.559 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(CSC)cc1 1286306073 QNURALIDQHSJAB-DUXKGJEZSA-N 426.630 4.566 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CC(OCC)C1 1286306402 UBNRRTUDSUENNT-LRYGQEGESA-N 433.021 4.887 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCO[C@@H](C)C1 1286318414 UZKUIRNOCGXKAL-FQEVSTJZSA-N 434.540 4.536 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1286319934 ZRNLSXWPSRGCHZ-FQEVSTJZSA-N 447.549 4.768 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C1CCCCC1)N(C)C 1286361505 PUHJGWYNPODYQU-PGRDOPGGSA-N 444.023 4.651 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1CC 1286402902 ZAJYTYUSKCKUIW-UHFFFAOYSA-N 428.605 4.959 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCCCC1 1286421480 PJXMSYCUUABJQW-UHFFFAOYSA-N 449.668 4.614 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H]1CCCc2cccnc21 1286458035 IGBAKPPYPDQMQY-QFIPXVFZSA-N 431.559 4.771 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(F)cc(F)c2C1 1286556190 BJEOIJBVIOIOSX-VGOFRKELSA-N 430.543 4.689 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2Cc2nc(C(F)(F)F)cs2)CC1 1286647447 HJHJWKWEAORCHS-UHFFFAOYSA-N 433.503 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(C)C)CC1 1286667248 IIHWBIOQIVGTKK-UHFFFAOYSA-N 449.441 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1286669606 LSBHYEBAFGXCAU-NRFANRHFSA-N 446.599 4.666 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1c(F)cc(F)c(F)c1F 1286681466 WVNNZQMOPLNBDG-AWEZNQCLSA-N 426.458 4.569 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1 1286688292 WCRUBZKSYMAHBI-WOJBJXKFSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1 1286746190 RAOUEEYFSISGQV-FQEVSTJZSA-N 435.572 4.699 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1286747222 JHXZBRSEABFRCV-UHFFFAOYSA-N 433.622 4.924 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1286750772 GXLGLVLJWFMUHK-XPWALMASSA-N 443.680 4.743 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286753930 NEMFOQSJESJYME-CTNGQTDRSA-N 437.588 4.769 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)OCCc2sccc21 1287579415 FGTXAXWLKOALCA-XMMPIXPASA-N 435.597 4.849 30 10 IJEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccs1 1291794761 DCCKBBQYUNNPJY-FXAWDEMLSA-N 448.596 4.525 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 1297380398 YAGFQQNWQHADBB-UHFFFAOYSA-N 431.005 4.688 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCC1CCOCC1 1300284609 SSFMWMFZIKOVFJ-ZWKOTPCHSA-N 426.630 4.796 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1300363039 BTUROJNRCLMEOK-UHFFFAOYSA-N 430.600 4.727 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(OC)CCCCC1 1300471613 ISPXENKXLDBJEF-UHFFFAOYSA-N 445.007 4.670 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1300656517 IQNBYMGLGLSFEJ-SFTDATJTSA-N 438.616 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(F)F 1300872607 BOCOPUWYVIXXNG-UWJYYQICSA-N 427.499 4.566 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCCCC2=O)CC1 1301075202 XGLIZOVYOJSAOA-UHFFFAOYSA-N 427.980 4.548 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2c(C)nn(C)c2C)CC1 1301092570 XFNOTYCQUADFJN-UHFFFAOYSA-N 448.615 4.844 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C)CC1 1301154649 YABXPMBMZHEZMY-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1301155705 RZSRQONJZFFJCM-SFTDATJTSA-N 439.648 4.593 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1301173009 BGXFKJHEIXGTKE-GOSISDBHSA-N 427.568 4.816 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](COC)C1 1301209149 NDOBSBIBKKYAPL-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1301212407 VRVVUHVQECZILM-RBUKOAKNSA-N 427.568 4.572 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1301272089 BKMNQROZVYHJOG-FQEVSTJZSA-N 439.604 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1 1301364829 AGCXVKIAWWKNOI-QHCPKHFHSA-N 443.016 4.937 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](OC)C(C)(C)C 1301415580 WRCJLSUESDZIRV-SFHVURJKSA-N 441.403 4.952 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](CC)C2)on1 1306408689 DXKIGAMJZLXMHI-UWJYYQICSA-N 448.571 4.760 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(c2nc3c(s2)CCCC3)CC1 1307864445 YCOXMCLRJUUPRV-QGZVFWFLSA-N 429.655 4.866 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3c3ncccn3)c2C#N)C1 1307944130 DMQBUUIBNMRWME-VQIMIIECSA-N 437.613 4.726 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 1310200627 UOXYMLTWQHFNIV-UHFFFAOYSA-N 433.895 4.926 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)c1ccc(Cl)cc1F 1312938696 ZRPXYJHTGLDGOB-OALUTQOASA-N 425.262 4.729 30 10 IJEE C=CC[C@@]1(C(=O)NCCCO[C@@H]2CCCc3ccccc32)CCCN1C(=O)OC(C)(C)C 1353692633 GZEQITITDFDCLA-GJZUVCINSA-N 442.600 4.933 30 10 IJEE CC(C)(C)[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1ccc(F)cc1F 1356279830 BUTBTYBEELXSBO-IBGZPJMESA-N 437.284 4.881 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Br)nn1-c1ncccc1Cl 1358385948 ZGOWMLNGUWYZQV-UHFFFAOYSA-N 449.711 4.651 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1358920635 DMAYTJAYAXXZQQ-UTKZUKDTSA-N 438.963 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCC[C@H]1C 1359108998 LRYAHHOJLUVPKX-LJQANCHMSA-N 426.565 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1cc(Br)ccc1OC 1359110554 RNDHFHGCPCHCJP-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN(C)CCC)C1 1359145775 CAXYBOZTZMSDRM-OAHLLOKOSA-N 426.367 4.658 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCN(CCC)C2)CC1 1359176158 NRUMTKREAMTXKQ-LJQANCHMSA-N 444.023 4.741 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1359180517 IJOQJDUOGLDWOP-UHFFFAOYSA-N 447.530 4.989 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 1359196208 ZJWJVKHEVIKMKL-DBXWQHBBSA-N 437.613 4.607 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359204377 MSGZRDSBRADQLV-XMMPIXPASA-N 445.007 4.653 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)c1cc(C)oc1C 1359234103 DGBVDPNFSPMHSN-OWJWWREXSA-N 440.613 4.871 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCO1 1359264946 UJASWLIBUZPUES-HXUWFJFHSA-N 438.597 4.907 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCSC[C@H]1C)C(C)C 1359265314 CUDBRQGPQQJVDY-KNQAVFIVSA-N 443.636 4.725 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CCc1cc(F)cc(F)c1 1359276754 OFRKAALGTILPFB-UHFFFAOYSA-N 435.478 4.689 30 10 IJEE C#CCOc1cccc(OC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1359925599 ISAGZVMSHMLMJP-PGRDOPGGSA-N 443.902 4.785 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@H]1CCCCO1 1360787947 HTPDVKKEDHUJBJ-QTDDQOEGSA-N 443.636 4.676 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)c2ccc(Br)cc2)nnc1-c1ccco1 1439543677 ISSNGXDAZPQPMJ-UHFFFAOYSA-N 447.358 4.632 30 10 IJEE C#C[C@H](C)N(C)C(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1448668353 IFYCUBHKAWUQLG-PMACEKPBSA-N 430.548 4.518 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@H](c1ccccc1)N1CCOC1=O 1460782083 WTFKYKWWCUHLHQ-GOSISDBHSA-N 445.313 4.536 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccccc1 1461149331 QUXHGINHAXSNFB-HXUWFJFHSA-N 434.337 4.618 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@@H]2CCCc3ccc(C(=O)OC)cc32)cc1OC 1462418577 SZWKYVOHKXYOPL-IBGZPJMESA-N 429.944 4.910 30 10 IJEE Cc1c(F)cccc1S(=O)(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1463694708 AKIFSTCKJWJNAO-UHFFFAOYSA-N 429.357 4.992 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1)c1ccccc1 1465466415 GQOOKAQGWAKKLL-DEOSSOPVSA-N 434.584 4.683 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)c1ccc(OC)cc1OC 1466816571 NIVLPJMVHXDSFE-CYBMUJFWSA-N 435.318 4.914 30 10 IJEE C#C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)C1 1469518141 CBNMMMHVOMUTLY-KRWDZBQOSA-N 436.968 4.552 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)[C@@H]1CCc2ncsc2C1 1469798680 DFLYHAGORIMOTI-WBVHZDCISA-N 442.025 4.665 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1472534247 HAIYSMLEPRZXBH-DLBZAZTESA-N 426.542 4.704 30 10 IJEE Oc1nc2ccccc2cc1CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1473848696 QTSDAACOEFKKKR-RYUDHWBXSA-N 426.307 4.543 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(N3CCOC3=O)ccc2C)cc1OC 1474056128 FUPOUEJMPLHWKJ-UHFFFAOYSA-N 447.329 4.900 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C)c1ccccc1 1475627602 VRHKEGHMXYFYES-JPYJTQIMSA-N 426.582 4.923 30 10 IJEE N#CCOc1ccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 1475876650 AIDMUDNEMZLNFJ-HXUWFJFHSA-N 433.430 4.897 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Nc3cccc(I)c3C)cc21 1477134440 DFESQAPBUKJIAY-UHFFFAOYSA-N 432.265 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 1477522065 DIBORAOCRRJHAB-HBGVWJBISA-N 447.348 4.958 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)NCC2(c3c(F)cccc3F)CCCC2)CC1 1477753325 FRWMURKUNJEWPY-UHFFFAOYSA-N 438.522 4.616 30 10 IJEE CC(C)(CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1cccc(C(F)(F)F)c1 1477761877 DKQBAKUTZVLFDO-UHFFFAOYSA-N 448.464 4.526 30 10 IJEE C#C[C@@H](NC(=O)N(CCOCC)[C@@H]1CCc2ccccc21)c1ccc(Br)cc1 1478897161 VREVXIRVAKLUBM-FGZHOGPDSA-N 441.369 4.859 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCCO2)on1 1496678783 DKAOECANLXDGMX-OAQYLSRUSA-N 448.571 4.762 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1501280198 GSENLQYLYHCJCI-SANMLTNESA-N 444.583 4.870 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)c1cccs1 1502928135 HEUHVYXNTUHKFN-KRWDZBQOSA-N 444.564 4.918 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC(F)(F)C1 1504884901 FRWAXBMKULIUMW-CQSZACIVSA-N 441.885 4.539 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OCCC)CC1 1507567459 MUMPGPCJUMMCBZ-LJQANCHMSA-N 430.543 4.736 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC([C@H]2CCCO2)CC1 1507575354 FWWQNILDSDRKPY-MRXNPFEDSA-N 449.418 4.578 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(SC)CC1 1507641455 GAHCDDUJEZGFTB-UHFFFAOYSA-N 426.998 4.782 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1C1CCCCC1 1507681772 DJIIPXAMWVMIDK-HXUWFJFHSA-N 443.998 4.994 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@@H]1CC 1507746580 ABRWGLUEYMDOIY-YJBOKZPZSA-N 433.419 4.699 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCCO1 1507944583 UPROZMQITCUSBP-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1CC2(CCOCC2)C1 1507975077 MUIHPJFLGVDRTF-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1507982269 LURDOCUBWVHSNV-ZJSXRUAMSA-N 435.641 4.830 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1508010030 IVZFRBFNMXLCEH-XTJBDQBJSA-N 440.563 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC=CO1 1508013457 PKBGEYBXEPKPGB-KRWDZBQOSA-N 445.361 4.587 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1508027661 MTFNAHQWYXXFAJ-IAGOWNOFSA-N 446.477 4.857 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCc2ccccc21 1508036852 CDOXKUCZVQYDIJ-HXUWFJFHSA-N 437.975 4.752 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CCn1cc(Cl)cn1 1509297133 GZRCARGRMCCZKE-UHFFFAOYSA-N 446.386 4.915 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1520000564 BRMJJCAGHIHETD-SANMLTNESA-N 432.520 4.649 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 1521289319 DLBMVHZCFISJPH-UHFFFAOYSA-N 431.620 4.593 30 10 IJEE C#CC[C@@]1(C(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)CCCN1C(=O)OC(C)(C)C 1521634112 JODHZKLZQQRXEY-CUNXSJBXSA-N 438.612 4.994 30 10 IJEE C#CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 1521819582 RGDRNEDSBRNBJE-SFHVURJKSA-N 443.297 4.573 30 10 IJEE C=CCN(Cc1cccs1)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1524721006 OEUQMUIFNITUTA-SFHVURJKSA-N 440.487 4.900 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)C2(c3ccc(C(C)(C)C)cc3)CCCCC2)n1 1524968247 MSZKLPUELBCXCU-UHFFFAOYSA-N 435.612 4.691 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCOc1ccc(C#N)cc1OC 1528416144 YGKDGJKCKPWXDR-UHFFFAOYSA-N 445.313 4.692 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cc1OC 1528911870 LXLFYWLJHOOSSB-ZOBSEURRSA-N 434.580 4.642 30 10 IJEE C#C[C@H](NC(=O)c1cnc(-c2cc(Br)ccc2OC)s1)c1ccccc1 1529738494 YUYNUADULUJSPX-INIZCTEOSA-N 427.323 4.686 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)cc1OC 1530893787 OQJOGGJXXWYPDX-JQYPEGPJSA-N 435.442 4.796 30 10 IJEE CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1535010694 DZTDOGJEMUUYKF-VWLOTQADSA-N 425.532 4.765 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(c2ccccn2)CCC1 1538975290 ZGYQSPRPGVGZQB-RBUKOAKNSA-N 433.531 4.532 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1 1539034524 FPEWHCXNBHUDJF-HUUCEWRRSA-N 432.018 4.942 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCO[C@@H](c2ccccc2)C1 1539140689 AVUJJQCVPOQDFW-DNVJHFABSA-N 436.600 4.578 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1oc2ccc(F)cc2c1C 1539332479 SGGDIPNOQIJZOT-UHFFFAOYSA-N 432.524 4.635 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CCc1ccc(Cl)s1 1539403831 YMKPOAUWOUMCAS-UHFFFAOYSA-N 428.989 4.551 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(CC)CCCC 1539500167 UMBBWGNNRNEKLG-UHFFFAOYSA-N 427.437 4.762 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC(C(C)C)CC1 1539530364 HAPAGRPQYZTFCV-UHFFFAOYSA-N 444.670 4.818 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCCS1 1539548785 WEHDUHSDTZVMKF-NTKDMRAZSA-N 440.613 4.630 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](c1cccnc1)C(C)C 1539569796 VBHDVXPJNZNLTK-QFQXNSOFSA-N 447.558 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1nccs1 1539907310 ZJIFBUPGVKKXLT-UHFFFAOYSA-N 427.574 4.658 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(C)s1 1540059546 SIDFQVWSUVAVOL-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCC[C@H]1C 1540139674 DMQISCQHGBABOR-HOYKHHGWSA-N 433.581 4.622 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cn3)c2)CC1 1540549844 AJHSKQUXGZNKSQ-QFIPXVFZSA-N 432.911 4.550 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCc2ccccc21 1540857637 JRYXHEQGVCTBHE-FPOVZHCZSA-N 437.588 4.702 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccccc1F)C1CC1 1540861145 CYFLRBXORCMMEW-FQEVSTJZSA-N 441.551 4.844 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1nnc(C(C)(C)C)s1 1541800674 DZDMVOXVEHQROF-ZDUSSCGKSA-N 429.981 4.534 30 10 IJEE CC(F)(F)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC#N)CC1CC1 1541894957 ICFGGHCSMZIKBW-UHFFFAOYSA-N 425.487 4.511 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)C1 1543532996 FRFGMYOEQJJOSJ-ZCNNSNEGSA-N 440.611 4.503 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)cc1 1544409478 SRGGGFGKDXOSID-UHFFFAOYSA-N 444.716 4.685 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)CCS1 1544753831 AWYQKSLLBGYUJO-AEFFLSMTSA-N 431.556 4.974 30 10 IJEE C#CCN(C(=O)c1cc(Cl)c(Br)c(OC)c1N)[C@@H]1CCCc2ccccc21 1558541694 OABYCJHEOBTWAZ-QGZVFWFLSA-N 447.760 4.846 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)[C@@H]1CCCc2ccccc21 1563413962 ZHFDGSPNAGFYAF-SXOMAYOGSA-N 445.607 4.945 30 10 IJEE C=CC1(CC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CN(C(=O)OC(C)(C)C)C1 1587027458 SFBHKUYJPKNJFP-UHFFFAOYSA-N 437.584 4.832 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1587777804 RRGPXBXKSNYZID-LEWJYISDSA-N 426.630 4.908 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1CCC[C@H](C)C1 1588314540 IJFIGUKXUWSBOK-FQEVSTJZSA-N 446.599 4.570 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CCC)CCC1 1588378252 HXYFFSWQDRMGPM-FQEVSTJZSA-N 443.636 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](OC)C(C)C 1589242877 NNYCIQHKDZHIAH-BKMJKUGQSA-N 438.616 4.818 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(C)ccc1F 1589529203 MCSLMPGKZAINAD-AUSIDOKSSA-N 435.547 4.714 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(CC)C1CCCC1 1589570358 UIUOPUVCJIVVPI-YADARESESA-N 440.588 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN(CC)C(C)C 1589599822 MYHQEYZMYPPULC-UHFFFAOYSA-N 434.426 4.840 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1593703654 LTSWYHDABSZOBC-WOJBJXKFSA-N 445.007 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](c2ccsc2)N(C)C)CC1 1594225492 AVOBRNCMAXLSMB-NRFANRHFSA-N 425.577 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC)CC1 1594497431 GYRKMPBKFAAHRA-UHFFFAOYSA-N 437.636 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@](C)(OC)CC1 1594529143 QOUFUYFHUXJMSQ-XMMPIXPASA-N 430.568 4.994 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1594582187 NFHYOEXLVWHRSG-NRFANRHFSA-N 444.645 4.612 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C[C@@H]1CCOC1)C1CC1 1595854447 BWTKDVZXUDVCPV-HNNXBMFYSA-N 436.984 4.662 30 10 IJEE CC(C)(Cc1ccc(Br)cc1)C(=O)Nc1ccc(Br)c(C#N)n1 1610905397 ADSJFRPKHFUZEV-UHFFFAOYSA-N 437.135 4.686 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C(C)(C)C)n1 1611291752 DMZCKOMRXQIZAS-MRXNPFEDSA-N 433.585 4.552 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)n1 1612360502 GTGNWDXWDLWDKV-INIZCTEOSA-N 438.601 4.780 30 10 IJEE C=CCn1c(SCc2cc(OC)ncc2Br)nnc1-c1cccc(OC)c1 1613596618 LIAJXCZKWMZMPG-UHFFFAOYSA-N 447.358 4.598 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 1614709842 ATQPEOHOTAHAEY-FQEVSTJZSA-N 428.374 4.633 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4ccc(C)cc4)c3C(C)C)n[nH]2)c1C 1615211582 ZKKTYTRXMVDXFA-UHFFFAOYSA-N 443.555 4.946 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1615344544 FGIWVMZLCJORAV-OKZBNKHCSA-N 428.650 4.600 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccc(C=O)cc2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1616305465 IUFMLSYXKHPSDW-AREMUKBSSA-N 441.527 4.969 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1618808234 XRVQDGDOIVFGGP-SLFFLAALSA-N 436.980 4.615 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccoc2C)cs1 1618925409 GBAVAHGCFXRSND-MRXNPFEDSA-N 448.552 4.567 30 10 IJEE C=CCCO[C@@H](C)C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1626721861 YYTPIHLEMFOURV-AWEZNQCLSA-N 435.421 4.757 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 1628290718 IWSFDPVGURWUQH-JQFCIGGWSA-N 431.360 4.568 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1628738006 HBKAHPKOVPFZRO-DEOSSOPVSA-N 447.579 4.832 30 10 IJEE C#C[C@@H]1CCCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1631298666 NOHQFKQYELJMJX-HXUWFJFHSA-N 430.548 4.567 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)CC1 1633811852 MUSGPYKIANVODZ-AQYVVDRMSA-N 438.593 4.643 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H](C)Cc3ccccc3C(F)(F)F)n[nH]2)c1C 1636166673 GAEMOIUMWCBTRY-CQSZACIVSA-N 445.489 4.798 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C 1638134351 RHHIGCOHPJPDFX-UHFFFAOYSA-N 430.467 4.599 30 10 IJEE C#Cc1cccc(N(CC)CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1 1642250291 GDVBARCKJBJVRC-AREMUKBSSA-N 432.589 4.913 30 10 IJEE Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 1643248857 GCISNJDHOZSWHZ-UHFFFAOYSA-N 432.480 4.799 30 10 IJEE C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1nccc(Oc2cccc(C#N)c2)n1 1650897820 HPXZPRLPUBCBCG-SFHVURJKSA-N 442.523 4.570 30 10 IJEE C=CCn1c(C)cc(C(=O)Cn2c(-c3cccc(Oc4ccccc4)c3)noc2=O)c1C 1651804712 KDDHBWMRLYQTMQ-UHFFFAOYSA-N 429.476 4.783 30 10 IJEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 1654791193 GXFKIQWMFDVUJV-QGZVFWFLSA-N 432.826 4.799 30 10 IJEE CC(C)c1sc(NC(=O)CN2CCc3c(CC#N)cccc3C2)nc1-c1ccccc1 1655230471 MJRFHDHBMAHQSQ-UHFFFAOYSA-N 430.577 4.996 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)CCOCC1 1660296576 NYMNNEDNZDEZQG-QHCPKHFHSA-N 429.605 4.713 30 10 IJEE CN([C@@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccsc1C#N 1665316241 LQFURZNIRHCDQE-IBGZPJMESA-N 447.379 4.792 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 1669141620 ZOUBDRXLUWAPRS-UHFFFAOYSA-N 437.363 4.807 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1 1670835142 HZTSPNKBTCKDBR-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1)[C@@H]1CCCO1 1671264768 NEBDSVMGJLJWOE-HKUYNNGSSA-N 433.277 4.683 30 10 IJEE C[C@@]1(C#N)CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1675398614 DBLSTUXCWOXJBJ-OFNKIYASSA-N 443.016 4.836 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(F)c(F)c1 1675580837 LNEVLUARYQHRAV-GOSISDBHSA-N 428.405 4.797 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1678849662 FCAZECPMTMBKGP-QFBILLFUSA-N 425.520 4.965 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21)c1ccc(F)c(F)c1 1680284679 RZWSKKSVOUNSCT-MVJPYGJCSA-N 433.296 4.982 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CSc2ccc(Br)cc21 1680741094 BFZCFHIYMFCYOB-QZTJIDSGSA-N 428.355 4.844 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(Br)ccc1Br)c1ccc(F)cc1 1681753249 QUNQCEYOZMKILW-MRXNPFEDSA-N 440.110 4.524 30 10 IJEE C#C[C@H](NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1683688339 BBEQSGHLXJTQFB-YLPFRIKTSA-N 449.954 4.725 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CCCC[C@@H]3c3ccccc3)CC2)c1 1686473251 FYHJGEBDHRGMMG-ILBGXUMGSA-N 444.579 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1689837674 KLUIUQJWWPOZPK-QLXKLKPCSA-N 434.584 4.818 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1CCC(OC)CC1 1689971902 ADHVRBGPMRGGFZ-UHFFFAOYSA-N 445.007 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC=C(C)C 1690214704 SPQLPJWXMQKCRY-YADARESESA-N 427.593 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1690241430 SDJAPOBXFAFAGU-AABGKKOBSA-N 445.489 4.577 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1690306717 CKUWPSBEXWXZES-GOSISDBHSA-N 444.988 4.831 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(OC)CCCC2)CC1 1690415591 QYIIQNPDYVAAQQ-UHFFFAOYSA-N 430.980 4.872 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690486398 IDSMYOFHHLXXBP-OAQYLSRUSA-N 439.995 4.538 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1CF 1690563505 UHLHOXYILKBWSW-FUHWJXTLSA-N 444.352 4.769 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)[C@@H]3C[C@@H](OCC)C3(C)C)nnc2C(C)(C)C)cc1 1690681205 JKBHJOQEPRPYOQ-NHCUHLMSSA-N 426.605 4.829 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1690740395 TTWGHYLIZKDOOS-NRFANRHFSA-N 441.670 4.934 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)c(F)c1F 1705866070 GNZFIIZFZWJOCE-MRXNPFEDSA-N 448.514 4.696 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(N(C)C)nc1 1705870031 AICMLVAEAJKVSS-SFHVURJKSA-N 448.640 4.819 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1705942174 JQDHMDAIMXVRDK-GOSISDBHSA-N 428.558 4.847 30 10 IJEE CN(C)[C@H](Cn1c(N(CCC#N)CC2CC2)nnc1C(C)(C)C)c1ccccc1Cl 1710999868 GDXYKJDRJVBCLA-HXUWFJFHSA-N 429.012 4.662 30 10 IJEE COCc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)o1 1712209297 AOPIXSMLYLJTAE-IBGZPJMESA-N 441.482 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCc1nc(C)cs1 1722280680 XVJHCYDLDDQHJK-INIZCTEOSA-N 445.539 4.792 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1ncc(C)s1 1722282140 XEVAEMBMOYADHA-NVXWUHKLSA-N 430.581 4.828 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1722404079 PEOFHACADKDGFO-REWPJTCUSA-N 431.584 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCC(C)CC1 1722507121 YGSJBPUDXOSOIR-UHFFFAOYSA-N 447.631 4.860 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)CN(C)C)CC1 1722561762 XYYOPHGKHPDWNQ-UHFFFAOYSA-N 438.439 4.513 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1722591368 HNFPDNPLMKUZIB-DEOSSOPVSA-N 445.611 4.704 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1722599976 IKLIXMSPIQAOHU-NRFANRHFSA-N 435.572 4.999 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1722601779 ZVXVSUPKZXNDEF-UHFFFAOYSA-N 432.616 4.741 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722605329 DCNNGOMAPZCINP-UYAOXDASSA-N 431.625 4.717 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCCN(C)C(=O)OC(C)(C)C 1722635696 UJDOUEFGKGWMFS-UHFFFAOYSA-N 425.533 4.571 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC(C)CC1 1722658720 IQXLFYVHIADQMZ-NRFANRHFSA-N 448.590 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1722661354 BQOPXRYPUCWJCN-LJAQVGFWSA-N 447.029 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1C/C=C/CC 1722663204 WDSJQCYVMVXMBH-VMPITWQZSA-N 432.553 4.814 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)(C)C 1731055594 BJNGJBJARKYYGB-CVDCTZTESA-N 445.608 4.904 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](c1cccnc1)C(C)C 1740732457 DMHWQYFPCNLIJR-YIXXDRMTSA-N 443.595 4.704 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CCOC)Cc1ccco1 1740779613 QOOZDIBJRCRQST-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1C 1740790239 WWOPVXYQIBGEJM-UHFFFAOYSA-N 436.604 4.514 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCn2cc(C)nc21 1740857398 MDJPVGMNCHWILS-NHCUHLMSSA-N 426.609 4.785 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740860833 RSIIFZAPXMUZLT-XLIONFOSSA-N 430.980 4.969 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1740889310 LRFNDGXPUUXATI-NNMXDRDESA-N 428.552 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1740894908 LSBWKECRBHTYPS-DHLKQENFSA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCCC(F)(F)F 1740916600 RWYOVHMNYBCDGQ-LJQANCHMSA-N 433.478 4.926 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)C)CC1)C(C)C 1746629248 HWENJVZUUCHSRP-QHCPKHFHSA-N 439.604 4.662 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CCN(CCC)CC1 1748638956 ACDWGXGGKSOHMB-IFMALSPDSA-N 437.632 4.615 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1749027896 VYZADFWYOLKXMV-DYESRHJHSA-N 436.581 4.809 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC=C(COC)CC1 1749123769 IECVSDUUJLXOET-LAUBAEHRSA-N 446.954 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(C)C)C1 1749135253 DAMJIFZQJALNRE-FBLLAGFSSA-N 438.616 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn2ccc(C)cc2n1 1749171498 WQSNTFBYNZIHLB-IFMALSPDSA-N 436.604 4.604 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC(C)(OC)C1 1749214046 TXGVPIFGXJAQMK-UHFFFAOYSA-N 432.977 4.631 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)c2ccco2)CC1 1749335105 OPDCCUFGPQJDLI-QFIPXVFZSA-N 430.911 4.641 30 10 IJEE C=CCCCn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749439806 JVDCVTAQDLMGPP-HSZRJFAPSA-N 430.980 4.501 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1749467457 PPASTCFVHXDCQI-WIYYLYMNSA-N 431.378 4.535 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccnc(SCC)c1 1749485261 OUJATRRMKZFCLL-UHFFFAOYSA-N 432.553 4.778 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CSCCS1 1749584823 RXCKPRDBEXHBON-RTWAWAEBSA-N 444.670 4.603 30 10 IJEE C#CCCCCn1c(N2CCC(C(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142441 CHBHVGLAEDMXHJ-OYRHEFFESA-N 443.636 4.725 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1760148170 QXXNOMXTRAZJKN-QGZVFWFLSA-N 428.462 4.527 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760240407 QDKAXKMTOFMTRP-CJFMBICVSA-N 425.596 4.691 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@H](C)C1 1760278197 MNVQIFPWJCFZSK-HZPDHXFCSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1760294720 FCAZEBUVWJOBOA-UQBPGWFLSA-N 443.636 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCCN1CCCC 1760296510 UKOQDUQWRLVMNB-RPLLCQBOSA-N 433.644 4.824 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1CSC 1760302354 ANQFQEKOXVXNCW-ZDUSSCGKSA-N 445.789 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1760407895 TUYAVJIREWLKRY-MRXNPFEDSA-N 443.542 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1760415497 AQWODYFNCLWPBB-DEOSSOPVSA-N 430.568 4.697 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1760428276 SHSDWCQJTJIWQZ-NRFANRHFSA-N 442.579 4.828 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1760436016 DXYOERBBHQQHFR-FQEVSTJZSA-N 447.587 4.586 30 10 IJEE C[C@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1762839353 FAUXSNNENAESNA-NZQKXSOJSA-N 434.632 4.811 30 10 IJEE O=C1/C(=C/c2cccs2)SC(=NN=Cc2cccc([N+](=O)[O-])c2)N1Cc1ccco1 1772758800 DQVJLCNIPSOCAE-KLAVOZPOSA-N 438.490 4.756 30 10 IJEE N#Cc1ccccc1NC(=O)c1nn(CCO)c(-c2ccc(Cl)c(Cl)c2)c1Cl 1859390423 YIXUBBBQHQBBQH-UHFFFAOYSA-N 435.698 4.627 30 10 IJEE COC(=O)CCCCCCCCC(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 1859485007 MGZORFJDFGFNRK-UHFFFAOYSA-N 433.512 4.524 30 10 IJEE Cc1cc(I)ccc1NC(=O)C(=O)/C=C/c1cccc2ccccc12 1860727784 FXHFACFFJYYZRY-FMIVXFBMSA-N 441.268 4.974 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2F)cc1 1862391360 YSBOJLBFHXQAAH-JOCHJYFZSA-N 425.500 4.783 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(CC)cc1 1862458774 VJSXWMNQSRBEMA-NRFANRHFSA-N 447.453 4.671 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862476208 FQHAYERIRUUWHL-DEOSSOPVSA-N 443.499 4.536 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1F 1862506570 QQNOFZHNEHPBKZ-FQEVSTJZSA-N 426.444 4.667 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCC)c(OCC)c1 1862513157 YOTZBRPBWMVWAL-QFIPXVFZSA-N 441.499 4.920 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(O)c1 1862531800 BUAIVEUBPSPYQT-HSZRJFAPSA-N 437.536 4.740 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862547473 WCRDHTXGUXMDLG-QFIPXVFZSA-N 434.492 4.708 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(O)c1 1862548768 ZRXGTPVYRFREHD-HSZRJFAPSA-N 435.520 4.745 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862583294 XJGKKVHGXIJIHJ-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC)c1 1862715987 VSULNUMBUKGMCP-XMMPIXPASA-N 445.515 4.853 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1ccccc1 1862747562 RYZOVNBDWSIQTP-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(Cl)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1863060665 ZGUVIUWPBJMEKK-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3ccco3)C2=O)c1 1863284585 UVLONTZSJCLUHL-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCC3)C2=O)cc1 1863356999 QYKODCVKUZEXNU-UHFFFAOYSA-N 429.520 4.870 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(Cl)cc2)C1=O 1863534253 NSXRAIJSEITXGP-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(C)cc1 1864259965 PGCPNBLZPHZXQG-OAQYLSRUSA-N 442.563 4.511 30 10 IJEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)c(OC)c1OC)C3=O 1871352063 NMKUKPWZPVDLHX-PFHZTYADSA-N 439.508 4.587 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871412160 VIRNTCPLLLYCCC-YSUUHWHMSA-N 433.460 4.927 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871420669 IWMCMRGHYAHLAS-NHDPSOOVSA-N 448.406 4.676 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 1871420797 KLPXJBBEHUOKJS-JJFYIABZSA-N 430.416 4.537 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1872018739 OBRNETOJRWNHIT-OAQYLSRUSA-N 432.561 4.717 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872410558 FFXOIYCGUUVNEP-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872519891 MEVPODGZABZSJK-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872520110 QGHMJNYQUZUJDQ-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872570930 ADJKWUKFJRMBDD-WMZHIEFXSA-N 428.598 4.842 30 10 IJEE CC(C)(C)N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872768965 GJAJZYHICGYJLO-STQMWFEESA-N 436.364 4.940 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422787 OYCNSLUAYNMWTO-UHFFFAOYSA-N 433.458 4.750 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(Br)c(C)c2C)c2cnn(C)c2n1 1873490510 FVYLNSVZLWSZAZ-UHFFFAOYSA-N 427.350 4.665 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C(C)(C)C)c1)n2CCOC 1873656612 FSHZHEXSFJKBSW-UHFFFAOYSA-N 447.583 4.806 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1O 1874264726 MGKTWLNTYDCWPV-FOKLQQMPSA-N 444.944 4.775 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1)NC1CCCCC1 1874466955 LDLIUANMXRYPMA-YDZHTSKRSA-N 443.960 4.615 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874536720 RBRJVBFGPNOIAW-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1cnnc1SCC(=O)Nc1ccc(C)cc1C 1874540753 AZBWWWVQRTWKEO-LGJNPRDNSA-N 445.548 4.670 30 10 IJEE Cc1cc(OCCCc2nnc(S)n2/N=C/c2cccc([N+](=O)[O-])c2)cc(C)c1Cl 1874570866 MIHFHIOPGZROJM-WSDLNYQXSA-N 445.932 4.639 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OCCCO)c([N+](=O)[O-])c1 1874628785 WCYSVXXTPLFXCZ-HWKANZROSA-N 426.252 4.568 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2ccc(Br)cc2)c1 1874737830 PVBKIVJQBRYRPJ-UHFFFAOYSA-N 428.326 4.915 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1OC 1875151974 BSVWOYKBUBDKJV-JXMROGBWSA-N 432.428 4.548 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CCCSc3ccc(Cl)cc3)C2)c1 1891216257 SKBSUSKLKRSWEO-GOSISDBHSA-N 429.973 4.797 30 10 IJEE N#Cc1csc(C2CC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)C2)c1 1952679794 GENOCKWTBYRKOU-UHFFFAOYSA-N 444.512 4.859 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](NC(=O)OC(C)(C)C)C1(OC)CCCC1 2004927465 NCXOIOOPJXKUNC-FGZHOGPDSA-N 432.605 4.590 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2020330394 VUWRDCFFJFQPID-RTBURBONSA-N 437.625 4.521 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2020791917 ZCOOXZPHPLNDAX-SJORKVTESA-N 437.487 4.965 30 10 IJEE CCCCC#CC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024369363 FLXNLEJQBANYMR-HSZRJFAPSA-N 427.633 4.847 30 10 IJEE C=CCOc1ccc(C=CC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1 2042434395 ZJSPMCSZNOZLNE-UHFFFAOYSA-N 448.544 4.954 30 10 IJEE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@](C)(O)C(C)(C)O)C[C@@H](O)C[C@H]1O 2053589015 KRGCLKZOZQUAFK-BXZZGBOVSA-N 444.656 4.842 30 10 IJEE N#Cc1c(C2CCCCC2)nn2c(N)cc(-c3ccccc3I)nc12 2081435895 VICGZGJVAIGCMV-UHFFFAOYSA-N 443.292 4.502 30 10 IJEE CCC[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CCN(C(=O)OC(C)(C)C)C1 2181135301 PAPJMGVQQDKFCH-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)cc1 2181147674 TUTBITWCYHMSAI-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2215219402 UPOQMNYNIIWCSZ-HSZRJFAPSA-N 431.508 4.860 30 10 IJEE C=C([C@H](OCCC(=O)O)c1cc(Br)c(Br)s1)C(F)(F)F 2291863358 RMNNAVAVIMGIRD-VIFPVBQESA-N 438.059 4.924 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2296293526 KNVYDNIPIVLPAY-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2296871453 YBWHNVDTXXBYME-UHFFFAOYSA-N 431.282 4.786 30 10 IJEE Cn1cc(C=C2Oc3c(ccc4c3[C@H](c3cccc(O)c3)CC(=O)O4)C2=O)c2ccccc21 2297639840 LRUYTPRURBPTSD-FQEVSTJZSA-N 437.451 4.941 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2321103586 WPHIRGXBLNCIQY-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccncc2)C3)C1=O 2322312202 RCVZNCRAXMJZSY-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1OC 2322748337 ZVIHBVUOHTYWTO-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Br)ccc2OCCCO)c1 2322860341 MGRWLJNAPORAIK-UHFFFAOYSA-N 449.341 4.904 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)OCC(C)C)c2)cc1Cl 2323310156 SFSKKSBTQJCKFF-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 2323648460 FJQFFBZJFAWDFZ-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325044974 RZIWYNHTLHQYER-UHFFFAOYSA-N 425.437 4.632 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2N=Cc2c(F)cccc2Cl)o1 2325589888 UKBSXMGYFZPNEJ-UHFFFAOYSA-N 436.896 4.577 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325732066 JWSXAUDBROWWEV-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)cc1 2328578164 PLKAKNDXCWIXNG-UHFFFAOYSA-N 443.576 4.684 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1cccs1)Nc1ccc(F)cc1 2331032937 GCVVUCHISFYAED-UHFFFAOYSA-N 429.546 4.749 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)(C)C)cc(OC)c1O 2331377252 BTTYEGJBKHZZJJ-UHFFFAOYSA-N 440.569 4.781 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(F)cc1)c1ccccc1 2331412769 GJFZPEFPBTXCIM-INIZCTEOSA-N 439.560 4.566 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)C(F)(F)F 2331445865 VGKNNJLVYHLDED-UHFFFAOYSA-N 434.366 4.516 30 10 IJEE CCN[C@H](C#Cc1nccs1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2338240491 UGVBFFBDBVIIGZ-OAHLLOKOSA-N 436.375 4.955 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2 14546111 SSHBKEXWFGRVLJ-DFIYOIEZSA-N 436.577 4.884 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3Cl)n2)cc1Cl 21077628 QZPXVJAJUYLPJZ-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE O=C1/C(=N\Nc2ccc3ccccc3c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 27496993 FTCWVKNDLAZJHO-PNHLSOANSA-N 435.443 4.967 30 10 IJEE Cc1sc(C)c(S(=O)(=O)Nc2cccc(C#N)c2)c1-c1cc(C(F)(F)F)on1 33299372 LUUHLILALCFQFY-UHFFFAOYSA-N 427.429 4.711 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1 35272762 KCFANCWAXMNLOU-LADGPHEKSA-N 449.547 4.966 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 111277872 YBOSSFRNVPZSBD-RKKARLDVSA-N 442.427 4.995 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c1 169953241 ANYNGVXZRAXQFA-DEOSSOPVSA-N 442.515 4.934 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccnc1 170009424 KPTDKIHLEBYLCA-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccnc1)c1ccc2ccccc2c1 170013923 OQSNKATZVJSZJT-QHCPKHFHSA-N 446.466 4.894 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)cc1 170019914 HNZXGVYRUCKFSL-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170042196 LQGSYCIJENPORI-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)c(C)c1 170141168 QBCYKCNKNSLVOE-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170162250 JXCVLYKRKLQXSQ-LIRRHRJNSA-N 443.908 4.905 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1 170163543 AAAGOXNJRCKEDI-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)c1 170167955 NYMKDUVSHCFMOL-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)ccc1Cl 170185451 RTDAJYMGGRCBMU-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)c1C 170187931 XJOXBOWXFHDOLY-UPCLLVRISA-N 440.499 4.805 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)c1 170189324 JOJGJZCOTUKYCU-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccncc1 170203082 FJSCNCMBXJOOGQ-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(C)o2)c(C)c1 170304825 XQJSVLBAEMOXOQ-NRFANRHFSA-N 432.432 4.896 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cc(C)ccc2C)ccc1O 170465977 YJOPUQXNWYDIJP-QHCPKHFHSA-N 447.487 4.779 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1cccnc1 438891527 UNQPNCPRNJRSMZ-INIZCTEOSA-N 435.336 4.839 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 472867177 CYCNRMWNARSVQM-UHFFFAOYSA-N 437.431 4.881 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 485315637 HOFWRNOWYFCHBW-VWLOTQADSA-N 434.536 4.966 30 10 IJEE C[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)s1 507255796 BVQGSYBKQMAJNI-GFCCVEGCSA-N 430.917 4.615 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 508881676 RZAVMJHKFPBXGS-UHFFFAOYSA-N 436.604 4.536 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)c2)c1C 511732399 BGALLITUJRNBBP-UHFFFAOYSA-N 428.471 4.500 30 10 IJEE COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c(OC)c1 526489281 QDRRIBRBZZTDLQ-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)cc2)cc1OC 526605033 SLGPWMXBEIXZPG-XMMPIXPASA-N 442.471 4.728 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(OCC(C)C)CC1 574774241 LIXSAPKZBSKMOE-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3cccc(OC)c3)C2)c1 585993390 KYDOCRWDCLTIIK-QFIPXVFZSA-N 435.568 4.567 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1C 586507641 NNHDQQQCMIOGAK-MKMNVTDBSA-N 447.984 4.803 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1 619819366 WCAJZBPVCOBWNA-AOMKIAJQSA-N 425.895 4.562 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 737581091 NMUOSARWPKJKOB-HOIFWPIMSA-N 444.984 4.640 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 742212994 BGAYHZKGKQXQID-QFIPXVFZSA-N 444.560 4.549 30 10 IJEE N#C[C@H](C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 744016351 LKJJAODOBLTQRX-VHDGCEQUSA-N 425.460 4.534 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 745922268 JNQWTVUPSLSWFI-AWEZNQCLSA-N 441.875 4.757 30 10 IJEE C#CCCN1CCC(NC(=O)Cc2sc(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 758247845 JARHKLJHNAQQEX-UHFFFAOYSA-N 443.616 4.932 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N3CCOC3=O)cc2)cc1F 783058730 AEWYWJSPLOVHKD-UHFFFAOYSA-N 446.438 4.768 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(C2CC2)C(=S)N[C@H]1c1ncc(C(F)(F)F)s1 788477660 XFHYSOSYZMADDP-OAHLLOKOSA-N 441.475 4.695 30 10 IJEE C=CCn1c(SCC(=O)OCC(F)(F)F)nc2cc(-c3ccccc3)sc2c1=O 788492779 JGGHEPBKQQUTDT-UHFFFAOYSA-N 440.468 4.509 30 10 IJEE CC/C(=N\OCC(=O)OC1CCC(C(C)(C)C)CC1)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 821223742 QCWHLXCSRNUPRH-VNTKBJTBSA-N 444.572 4.709 30 10 IJEE CC(=NNc1cccc2ncccc12)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 915963669 JMBJDQCPDVTPSU-UHFFFAOYSA-N 430.533 4.549 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccccc2Cl)n1)Nc1ccccc1Cl 1084217400 XLZOWDWUMDSZOR-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1124924156 REFAATMJANHZLW-OAQYLSRUSA-N 437.378 4.753 30 10 IJEE C=CC[C@]1(C(=O)N2Cc3ccc(Br)cc3C2)CCCN1C(=O)OC(C)(C)C 1127902606 RJARPEDTCVDQDB-OAQYLSRUSA-N 435.362 4.637 30 10 IJEE N#Cc1ccc(F)c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)c1 1129597462 DXZBZMKYFQAWHE-UHFFFAOYSA-N 447.850 4.543 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)NCc3cccc(OC(F)(F)F)c3)c2)c1 1134965386 GUHHBFFHKLTLKV-UHFFFAOYSA-N 426.394 4.966 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 1136737924 VJFCJELBPRNZNH-SFHVURJKSA-N 443.931 4.658 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](c3nc4c(s3)CCC4)C2)CCCN1C(=O)OC(C)(C)C 1155683905 ARIIDXMFOYUYPD-XDHUDOTRSA-N 445.629 4.684 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccccc3)C2=O)nc2sc(C)c(C)c2c1=O 1164583684 BFFCGTWYVXWMBX-QGZVFWFLSA-N 425.579 4.549 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2cccc(F)c2F)n(-c2cccc(F)c2)c1C 1192801270 FXILQLCDHJGWNB-CQSZACIVSA-N 426.442 4.672 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCCN3CC3CCCCC3)cn2)c1 1198032874 AYTVNNALGPPMOH-QFIPXVFZSA-N 433.556 4.912 30 10 IJEE C#CCN(C(=O)Nc1ccc(F)cc1I)[C@H]1CCCc2ccccc21 1215591377 UHBNQIAUKUSTNN-IBGZPJMESA-N 448.279 4.975 30 10 IJEE C#CCN(C(=O)Nc1cc2c(cn1)CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1218728725 QDLYCFNTQSZGQZ-LJQANCHMSA-N 440.341 4.714 30 10 IJEE Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N1CCCN(c2ccccc2C#N)CC1 1223788833 HAVSPYZQDKFMJC-UHFFFAOYSA-N 432.612 4.937 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)CC1 1248407468 RUOVNCVNQIMSDU-JMUQELJHSA-N 442.506 4.725 30 10 IJEE C=CC[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(Cl)c(Cl)c1 1270234899 GNCFCKGTTQNXSM-JRQSSSKMSA-N 439.339 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccnc1Sc1ccc(Br)cc1 1270655004 DFVDYMCFTPNLCJ-KSSFIOAISA-N 433.371 4.706 30 10 IJEE C=CCSc1ccccc1C(=O)NCc1c(Br)cncc1Br 1273320922 YQFPFPLEUUQLGY-UHFFFAOYSA-N 442.176 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(OCC)CCCC1 1286279497 VPBIHCOHRREIAX-ROUUACIJSA-N 430.980 4.879 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1 1286318197 SUJNCPOLWQGPEM-INIZCTEOSA-N 447.352 4.850 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1oc(CC)nc1C 1286424506 YMKHOIJDSBLQOG-UHFFFAOYSA-N 429.568 4.613 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCOC2(CCCCCC2)C1 1286499702 JZRYYFDTMVHNCM-UHFFFAOYSA-N 445.032 4.895 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCCC[C@H](SCC)C1 1286508128 JFNVTZMEENGYPO-NRFANRHFSA-N 428.671 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCCOCC(C)C 1286518906 MLMQXTZAHQMLMK-YADARESESA-N 428.552 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC1(C)C 1286552688 NMDDAYQVAGZRKB-OPYAIIAOSA-N 428.552 4.917 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1286591742 AVFORMNAMDTVFO-LJQANCHMSA-N 427.568 4.573 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](C)N(C)C)CC1 1286638350 ZANRVIFQDGCERF-RBUKOAKNSA-N 432.012 4.795 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)SC)CC1 1286652712 JMNVLKBZVXHRQR-UHFFFAOYSA-N 427.618 4.691 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1286656858 QFHNKMOWIKPRRT-AOMKIAJQSA-N 445.405 4.661 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1286684060 DWHGYEUEOJXBFX-FQEVSTJZSA-N 449.603 4.691 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC[S@](=O)C(C)(C)C 1286760100 JVPGOJUBWUNQSX-HKBQPEDESA-N 440.613 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCSC1 1286765677 IDKDVHAZGDKTBC-KRWDZBQOSA-N 444.551 4.728 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(C)(F)F)cc2)C1 1286812652 RMWQOIJKQSWSHC-NRFANRHFSA-N 430.543 4.952 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C#N)cc1)c1cccnc1 1287154978 CIPOCMAWGXNCEH-HSZRJFAPSA-N 439.567 4.626 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC#N 1291083418 BHFWUOQCXSDNJE-QWFCFKBJSA-N 444.624 4.567 30 10 IJEE CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1293754574 ABTWOANUTUWWHO-HSZRJFAPSA-N 427.570 4.844 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cccc(C#N)c2)o1 1294041696 CYYZBRFCOJIMKE-UHFFFAOYSA-N 430.512 4.652 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3cc4cc(Br)sc4[nH]3)n2)c(Cl)c1 1295484745 ATYYOJZLAVPENM-UHFFFAOYSA-N 446.717 4.955 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CNc1cc(Cl)ccc1OC 1299166715 HDIZYNALFZNRCD-UHFFFAOYSA-N 425.710 4.727 30 10 IJEE C=C[C@H](CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)c1ccccc1 1300154307 UEMDYEJEPIVSAO-CWKRKGSWSA-N 442.600 4.800 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(C#N)o1 1300284187 YXJVKVNGSCYLAS-HNNXBMFYSA-N 431.496 4.784 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 1300339972 TYLAWWPDNCEOFN-RTBURBONSA-N 430.980 4.717 30 10 IJEE CCOC(=O)C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)CC(C)C 1300368863 BXOKEIGBMLOMMV-KRWDZBQOSA-N 426.488 4.835 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2nccs2)CC1 1300422139 GICQFSDEWCYRIT-UHFFFAOYSA-N 441.988 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1Cc1ccnc(SCC)c1 1300813166 CTNOCMMEFIFCRL-RUZDIDTESA-N 447.608 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCOCC(F)F 1300907072 WKLOYYQAGVJGED-UHFFFAOYSA-N 447.299 4.531 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 1300980449 PLTFOVUZOTWSTE-OAHLLOKOSA-N 439.387 4.848 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(C)(C)C)C1)c1ccccc1 1301003128 DJRNVESSAVECLW-HXUWFJFHSA-N 430.556 4.511 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(Cc1ccnn1C)C1CC1 1301016636 AUFWEXYNPONYLR-GOSISDBHSA-N 440.979 4.690 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC)[C@H](C)C1 1301207962 KDCCBBXMDUQKEQ-QGZVFWFLSA-N 432.410 4.513 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1sc(C)nc1C)C1CC1 1301320892 QVHBZEXBLCDOJU-UHFFFAOYSA-N 439.585 4.629 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)N(C)C 1301347614 YMOXJBPTEPSREI-NRFANRHFSA-N 431.540 4.935 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC=CCC1 1301383086 FGRICHJYXYLYJY-FQEVSTJZSA-N 444.583 4.771 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301436251 XDKSOICDLHZZNM-CXAGYDPISA-N 437.769 4.552 30 10 IJEE C[C@@H]1CN(c2nccnc2C#N)CCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1 1307582622 IEYIDEZSCJTBAG-LJQANCHMSA-N 447.533 4.749 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 1310058332 UZAUELGSQRNWMB-KURKYZTESA-N 431.577 4.973 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 1310372303 VIJKARQDDPICSG-UHFFFAOYSA-N 439.487 4.775 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC[C@H]4CCC[C@H]43)n2CCCC(F)(F)F)cc1 1316532991 DHPKPPLWRPRCFJ-IEBWSBKVSA-N 433.478 4.840 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ncc(F)cc1F)c1ccc2c(c1)OCCO2 1352837647 KNBKNFGHXSZYPM-UHFFFAOYSA-N 438.430 4.543 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1358916766 WFSHVQYIWCIEBV-PKTZIBPZSA-N 449.643 4.765 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](OCCC)CC1 1358922093 SYBOMZWSOSFZGL-OAQYLSRUSA-N 432.572 4.534 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1358942321 QXJIJJOGGIIQGC-FQEVSTJZSA-N 439.604 4.615 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@H](F)C1 1358988585 VTUKMFWUADRIKR-HKUYNNGSSA-N 443.364 4.617 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1359004992 RDWRAKGIVZDXOP-CPJSRVTESA-N 440.588 4.548 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1359121290 HEUCXRJJWFEDKV-DNVCBOLYSA-N 431.378 4.982 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cn(CCCCC)nc2C)CC1 1359166851 JPTHCJFPTQPNJQ-UHFFFAOYSA-N 448.615 4.777 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1359247652 KZTSCENZRUKPSK-KXBFYZLASA-N 448.409 4.642 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H]1CCCCO1 1359269336 XMDSRUYVRMYIOC-KRWDZBQOSA-N 449.368 4.984 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 1359346903 ZESZTHVGBKUAHM-SFHVURJKSA-N 435.638 4.506 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cc1 1435431556 NMUCWZBLGCLNIF-UHFFFAOYSA-N 426.469 4.508 30 10 IJEE CCn1c(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)nc2cc(C#N)ccc21 1458497361 BFEYVNKSOMDEHY-UHFFFAOYSA-N 437.219 4.961 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@]2(C)Cc2cccc(Br)c2)cc1 1460803942 LTQYFWNIEXKDMC-HSZRJFAPSA-N 425.370 4.856 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](c2ccc(C)o2)C(F)(F)F)nnc1-c1ccco1 1461198419 NRHRTLUHNPMURC-MRXNPFEDSA-N 440.447 4.528 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)c3ccc(Br)cc3)n[nH]2)c1C 1464035301 VVYDWGMSICPBQC-UHFFFAOYSA-N 428.334 4.505 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 1466244933 ZIXKDTCBLLYDFW-CQSZACIVSA-N 426.439 4.770 30 10 IJEE C#Cc1ccc(NC(=O)NCc2ccc(I)c(Cl)c2)c(Cl)c1 1467403276 UTPIDXQKTVUVPM-UHFFFAOYSA-N 445.087 4.901 30 10 IJEE C#CCSCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1468940225 UAEDXBSAYSNZFF-UHFFFAOYSA-N 438.984 4.701 30 10 IJEE C#CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881677 BOBOJINEEIJEPV-UHFFFAOYSA-N 439.581 4.593 30 10 IJEE C#C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 1472575087 GYNPMRQFUFMHIN-RPWUZVMVSA-N 446.934 4.668 30 10 IJEE CC(=O)N(c1cccc(Cl)c1)c1nc(Cn2cc(C#N)c3ccccc3c2=O)cs1 1473061500 DGCUEYHMTVAQFS-UHFFFAOYSA-N 434.908 4.716 30 10 IJEE COC(=O)c1cccc(CN2CCCC[C@@H]2Cc2cccc(Br)c2)c1C#N 1473569070 GTIGEADHHUHEJS-LJQANCHMSA-N 427.342 4.705 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1476151011 SCMBRTAZUIBERI-DENIHFKCSA-N 441.572 4.732 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCCc2ccccc21 1479075923 VAJQIBHNZNMUOI-FCHUYYIVSA-N 439.600 4.744 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1coc(-c2cccs2)n1 1507618702 CKWAXOVCYVJSDA-UHFFFAOYSA-N 435.578 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507762587 WCVBPVNFIFKFEZ-AOJNWGRGSA-N 431.584 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1 1507763062 KVGUCOLIMCULSN-UZUQRXQVSA-N 444.526 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507770963 SYDBWYIXCHQJBD-AOJNWGRGSA-N 425.665 4.761 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@H](CC)C1 1507779643 DPYWKKBPTPBPLG-GXTWGEPZSA-N 443.748 4.650 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2ncc(C)s2)CC1 1507830836 FIIZTJOVUDLHLZ-UHFFFAOYSA-N 429.540 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507975166 ONPDSTQJFTZXQO-SFHVURJKSA-N 439.560 4.863 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCSC1 1507997472 SRVULQHFDBAADT-QFIPXVFZSA-N 449.624 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1508006367 CMWYXMRKJYREEH-URVUXULASA-N 443.661 4.894 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508105060 OYYKFGSKSPBDLA-RUZDIDTESA-N 426.605 4.731 30 10 IJEE CCCN(CCC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 1514760047 AMGXXQWROGHBQY-UHFFFAOYSA-N 448.640 4.953 30 10 IJEE C#C[C@H](NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C(C)C 1521050347 LTZPIAJJSBRFFG-SFHVURJKSA-N 445.510 4.970 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1nc(-c2ccccc2)cs1 1522119559 QJTCOIBNLHTPJL-MRXNPFEDSA-N 439.487 4.660 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 1523486745 PXFOCRUZAZKLCN-UHFFFAOYSA-N 448.563 4.506 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 1524636255 BHIMNWLIFLFBKE-XMMPIXPASA-N 433.939 4.966 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 1526039407 UZNZGKLTERLJEV-UHFFFAOYSA-N 426.394 4.835 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)cc1OC 1526375721 XKMOGBNOBRHBDU-NJBZPOFQSA-N 431.573 4.926 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)c1 1529646245 DINROTCEUHCYDN-JOCHJYFZSA-N 426.516 4.854 30 10 IJEE C#C[C@@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)n1)c1ccc(Br)cc1 1535484092 WIPZSCAYBPFTEQ-CQSZACIVSA-N 425.248 4.631 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccc(C)cc12 1536291324 WIWKBAAGSDCOPJ-UHFFFAOYSA-N 425.513 4.887 30 10 IJEE C[C@H](Oc1ccccc1Br)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1536591915 DSGJLRZWLAWLQF-LBPRGKRZSA-N 445.704 4.566 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 1536694129 FCRZEEHCATZWBL-UHFFFAOYSA-N 446.276 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCC(C)(C)C1CC1 1539030080 NNUGPYXOUURTPK-MRXNPFEDSA-N 445.405 4.904 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCSC1 1539237997 PHKKAWZLYJVELT-OAHLLOKOSA-N 426.998 4.639 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCc1ccc(Br)s1 1539371664 GVHBUVPGIDUPLW-UHFFFAOYSA-N 447.377 4.534 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCSC(F)(F)F 1539391684 HLOOQTHZOOZWMA-UHFFFAOYSA-N 426.483 4.968 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN1CCC(C)CC1 1539569280 NKFMWUXGYDPEDX-RUZDIDTESA-N 437.657 4.603 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1539841275 DANFMYNZGGFUIK-UHFFFAOYSA-N 443.473 4.680 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1539962712 AIHKCVCRWNCULP-UHFFFAOYSA-N 443.542 4.533 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539981246 GMMKGNJRQRIKBZ-IBGZPJMESA-N 439.995 4.690 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(c2nccs2)CC1 1540028228 BJOGFRPENDOERY-UHFFFAOYSA-N 437.613 4.941 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1540029482 RYMGVLKQXGHJKD-MHECFPHRSA-N 439.629 4.854 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN(C(C)C)C1 1540048241 SAIKMHKSSMWTJE-YADHBBJMSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Br)s2)n1CCOCC 1540127675 TXXQSQOJVOJIGQ-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1540919710 UYVANBMIVPRZHF-UHFFFAOYSA-N 439.673 4.873 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)C(C)C)cc1 1542540330 RYCWWKVQMCHBHY-FDDCHVKYSA-N 428.598 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)c2ccccc21 1557761583 CIUOOLVEEVWOAQ-INIZCTEOSA-N 431.496 4.692 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@](C)(CO)Cc2ccc(Cl)cc2)s1 1557999928 QVRXIQPKQJKMEO-LJQANCHMSA-N 445.437 4.602 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 1559049943 CXSICNSTKKFDKU-UHFFFAOYSA-N 445.306 4.505 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)nc2ccccc21 1559316292 AAWSPCMCFOESRI-AWEZNQCLSA-N 430.371 4.954 30 10 IJEE C=CCn1c(SC[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nc2ccccc2c1=O 1559324819 JJFFYZUBAXAJFO-HNAYVOBHSA-N 432.467 4.857 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1583067755 RGTQKNRSCHNOQE-UHFFFAOYSA-N 438.543 4.876 30 10 IJEE C#CCN(C(=O)c1ccc2c(=O)n(-c3cccc(C)c3C)c(S)nc2c1)C1CCCCC1 1584124388 CIQQCWPMQWYXOA-UHFFFAOYSA-N 445.588 4.699 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)CSC 1586452234 WUZKSMBPZOHKSB-SBUREZEXSA-N 438.593 4.728 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1587838438 VJLWFELKFXSXTN-GOSISDBHSA-N 442.972 4.660 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H](C)N1CCCCC1 1587922225 WGMHXOIDLSLPPX-OAQYLSRUSA-N 444.627 4.687 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1CCCCO1 1588265600 FCGOBIQDLDJBNR-ICSRJNTNSA-N 430.980 4.880 30 10 IJEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1588420615 ILNPZLUMVPVPBZ-IRJFHVNHSA-N 425.989 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@H](CC)C1 1589496058 WAAVHHVZFUUTDB-SXLOBPIMSA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1csc(C)n1 1589590644 YTDKSDGUABXYIG-UHFFFAOYSA-N 438.601 4.557 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCc2ccc(Cl)nc2C1 1593611412 UDDYJOAARSWXQA-UHFFFAOYSA-N 444.764 4.895 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2OCCC2(C)C)CC1 1594023230 GEQIANABDRMNKO-SFHVURJKSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1594492073 RYTXUAFMOHJTLM-UTKZUKDTSA-N 444.542 4.652 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(CCC)CC1)c1ccccc1 1594544983 PHLSGGRFJCFYMM-JOCHJYFZSA-N 432.616 4.944 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H](C)N1CCC(C)CC1 1595119618 BXLZVDKAWMQSSN-HSZRJFAPSA-N 444.627 4.577 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](OCC(C)C)C1 1595854914 QZHNRPJGIVPCIZ-QGZVFWFLSA-N 439.000 4.908 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1595894974 DSPZXWWCCHGLKM-HDICACEKSA-N 436.572 4.546 30 10 IJEE C=CC1(CC(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1596452081 ZKSQBUIFZSNXSU-UHFFFAOYSA-N 442.600 4.993 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1c2ccccc2C(=O)OC1(C)C 1596886478 MBNCFFWTEFNMNJ-SFHVURJKSA-N 430.298 4.685 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1597191828 WBOBQGFBOIAKGM-JOCHJYFZSA-N 440.609 4.557 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)C1 1607448184 DVFVGYNHLGIZIF-XJUOHMSHSA-N 434.632 4.810 30 10 IJEE Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nccs1 1611871676 HFYGGYWLRBYRQB-MRXNPFEDSA-N 448.552 4.527 30 10 IJEE C=C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)C(=O)OC 1613166103 AQHGBUVIIGAZRW-OAHLLOKOSA-N 440.571 4.995 30 10 IJEE CN(C(=O)c1cccc(Sc2cccc(Br)c2)n1)c1ccc(C#N)nc1 1616303457 BZQSXDUWYZQHKJ-UHFFFAOYSA-N 425.311 4.539 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)o1 1621755708 AWKISICESTZFHA-UHFFFAOYSA-N 449.301 4.757 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1Cl 1622073723 DCJHSZLEVGVVNX-UHFFFAOYSA-N 446.853 4.880 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C 1626171050 IZFKNAWTCJCDQE-HNNXBMFYSA-N 427.339 4.598 30 10 IJEE C=CC1(CC(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CN(C(=O)OC(C)(C)C)C1 1632016957 CSMJSOHVICDKAN-CQSZACIVSA-N 427.372 4.854 30 10 IJEE CC(C)(C#N)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1632693932 DDYZUWGRDQODLI-UHFFFAOYSA-N 427.483 4.565 30 10 IJEE C#CC[C@@H](NC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 1633353222 ZWESPJFKTREWHZ-HHHXNRCGSA-N 439.559 4.862 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1CC 1635565285 PIVBACJEERPKGR-HNNXBMFYSA-N 431.758 4.986 30 10 IJEE C=CCN(C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC 1638618125 WFBOVVJKGIYJKT-NRFANRHFSA-N 444.453 4.989 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cc(Cl)c1O)c1ccc(Br)cc1 1641608311 QGVZLYOTOIFBSR-CQSZACIVSA-N 443.522 4.675 30 10 IJEE C#C[C@H](NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)c1ccc(Cl)cc1 1642102997 JOPKZZBILMMDQA-YJBOKZPZSA-N 427.932 4.558 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 1643381381 OJWKLNMYRHQDON-HZPDHXFCSA-N 432.659 4.964 30 10 IJEE C=CCn1c(SCC(=O)c2cc(OC)c(OC)cc2Br)nc2ccccc21 1643389130 RSYROAHTUGRRAT-UHFFFAOYSA-N 447.354 4.977 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc4n3CCN(C(=O)OC(C)(C)C)[C@@H]4C)cc2n1 1646456242 BKEOSRMQQNJENV-MRXNPFEDSA-N 435.528 4.588 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(c2cccc(Cl)c2)CC1 1661598657 CPGRFOSASKAAOS-UHFFFAOYSA-N 428.863 4.799 30 10 IJEE CC1(c2ccc(Br)cc2)CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 1663545057 AJPBFXYYORGQND-UHFFFAOYSA-N 439.419 4.606 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)OCC)cc(C(=O)OCC)c1)[C@@H]1CCCc2ccccc21 1667344707 BXTLYFLKVYVQCP-HSZRJFAPSA-N 448.519 4.585 30 10 IJEE CC(C)(CCNC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)NC(=O)OC(C)(C)C 1669400733 AUQAWWINBNQOAG-UHFFFAOYSA-N 439.516 4.560 30 10 IJEE C=CCC(C)(C)CNC(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1673085075 HKTXKQFYXFYPAJ-DFBJGRDBSA-N 443.588 4.791 30 10 IJEE C#Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1 1673380826 DUAWZINPAMFEBZ-UHFFFAOYSA-N 449.860 4.766 30 10 IJEE C=CCOc1ccc(CNC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 1675861410 UCNRWEBCNRPRJX-OAQYLSRUSA-N 431.939 4.680 30 10 IJEE C[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)Oc1ccc(Br)cc1 1679356906 GLKLSRKUQGNZEF-MAODMQOUSA-N 442.357 4.698 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1)[C@H]1CCCc2ccccc21 1682889091 KOLUNBHYFOYURR-DVECYGJZSA-N 431.536 4.817 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(Cl)cc2Oc2ccc(Cl)c(C)c2)C1 1683724343 ZPZBTSYAJGUQBC-LJQANCHMSA-N 446.378 4.991 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 1686181298 FWWPYUGXIUBQDQ-HDYDNRTBSA-N 440.494 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)Cc1cccs1 1689833204 FQIPNZVJWJHMBT-JKSUJKDBSA-N 430.524 4.945 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1689900773 PTNGXXZFJBFHMU-HDICACEKSA-N 425.527 4.881 30 10 IJEE C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1689971917 AOHOIFPTUBEEIU-RCZVLFRGSA-N 447.652 4.667 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 1690240328 DVQKVBMOIXJGOU-NRSPTQNISA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)CC 1690253725 SJKYXLKHXJOJTM-XZOYJPPVSA-N 426.605 4.937 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1690328082 DXIWILOILAILNC-HNNXBMFYSA-N 426.005 4.627 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690384459 SGRURFQGYGEPPQ-DENIHFKCSA-N 441.595 4.607 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCSCC)CC1 1690417487 UNSKQTFCQJQPBG-KDURUIRLSA-N 449.665 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1690419093 HITVZGHMNLAPTK-TZIWHRDSSA-N 444.583 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(C)on1 1690419908 FHMWGLQKAGTMDH-UHFFFAOYSA-N 433.354 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1690437442 CWRXIPQSFAASLS-GOSISDBHSA-N 429.515 4.813 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 1690444938 OQDGCNIQMKNXKM-IBGZPJMESA-N 432.490 4.863 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690455323 GZISPDRHPCTFHR-HRAATJIYSA-N 430.980 4.967 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1690504104 YMLGIRFQTYFZPO-SFHVURJKSA-N 445.489 4.865 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N1CCC(C)CC1 1690518624 PUGKKGZZEHGQOW-RBUKOAKNSA-N 427.662 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1690521651 DLAVLPKCPHFSTQ-UTKZUKDTSA-N 425.577 4.851 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN1CC 1690558051 CLLIUKVQEMMCCW-QHCPKHFHSA-N 444.583 4.785 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2cccc(F)c2)C1 1690709318 FMHYDHSLBJICLY-QFIPXVFZSA-N 426.580 4.909 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C(C)C)CC2)C1 1690711631 FEMPFRZADFDMGA-HXUWFJFHSA-N 430.980 4.728 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCCO1 1690737072 YRAKUXIQULXWSJ-GOSISDBHSA-N 432.659 4.810 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1694028800 BZTZVOBVSBJHGL-QPPBQGQZSA-N 434.632 4.834 30 10 IJEE CC[C@H](C)NC(=O)c1cccc(Cn2c(C3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1694210927 DTPNRODGIGWSHK-SIBVEZHUSA-N 448.615 4.642 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)ccn1 1696530284 DLQJEBGOFLYVNL-ROUUACIJSA-N 432.597 4.854 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1c(C)noc1C 1705542359 DRNLBHUNQCZHAI-YOEHRIQHSA-N 427.936 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C)[C@@H]1C 1705695241 AWUXVWKPLQOCQL-YTXYEVPYSA-N 432.515 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(F)c1 1705695798 JYKPIUFGBCYZMK-RXVVDRJESA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)cc1C 1705717070 BTZMWAZZCMHKRS-UHFFFAOYSA-N 445.615 4.520 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C(CC)CC)N(C)C)CC1 1705771413 RYGYHOUQJPXVRJ-HSZRJFAPSA-N 425.621 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1705793015 KDQCJESXZSATCO-HXUWFJFHSA-N 439.995 4.558 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)CCc1ccc(Br)cc1 1705807057 SBCCALCEYXUGQU-LJQANCHMSA-N 447.421 4.970 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CC=C(C(F)(F)F)CC1)C(C)C 1705867164 IZAMZIMRMFMOFG-HXUWFJFHSA-N 437.554 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@H](C)C1 1705870224 OYBOUMQIVLIAMB-SJORKVTESA-N 431.378 4.701 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCCCC2)CC1 1705912802 UZQNKBQMRQXPHS-NRFANRHFSA-N 437.632 4.859 30 10 IJEE Cc1cnc([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC(CC#N)CC2)s1 1707712859 DMSYBSXVHHYTDK-MRXNPFEDSA-N 438.576 4.707 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1710108013 GHFYFBMMSAPBIC-FQEVSTJZSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(SCC)c1 1722279745 QLOUAPPWTOVITN-CQSZACIVSA-N 444.402 4.654 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](COCC)C1 1722310935 QAZKQADOWXBLDK-GOSISDBHSA-N 445.405 4.764 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722328333 SVMLZBZCSCSAML-PZJWPPBQSA-N 442.007 4.550 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1csc(C)c1 1722404215 VGTLIZMMQGLZOU-UHFFFAOYSA-N 429.387 4.894 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCSc1ccc(C)cc1 1722474480 MNPUVAYSGYZVAX-HSZRJFAPSA-N 437.638 4.727 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(Cc1cccs1)C(C)C 1722509286 OMFMTXKGHGEBLG-DYXWJJEUSA-N 430.618 4.630 30 10 IJEE C=C(Cl)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cc(Cl)ccn1 1722547635 KUIQSOFYPOPUMB-UHFFFAOYSA-N 425.323 4.931 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CCC(OC)CC2)CC1 1722561190 OYQJOMXAYGGGBY-UHFFFAOYSA-N 432.515 4.908 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1722581148 LMVYQJFYJYPSJP-MRXNPFEDSA-N 449.049 4.844 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OCC2CC2)C1 1722590712 ACJCBVWDCXMUPF-HXUWFJFHSA-N 429.634 4.632 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCCCCC2)C1 1722605729 QAGUNGLEXIJGAJ-UHFFFAOYSA-N 429.634 4.920 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](CCOC)C1 1722611409 IXSNMFQDVMOJQV-INIZCTEOSA-N 449.393 4.545 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN(C)[C@@H](C)CC)C1 1729257062 HIUXBPITYZMKSD-VLCRHTCISA-N 440.661 4.657 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1C[C@H](C)O[C@@H](C)C1 1740727902 FJVFUVBTZPSPNL-PBPSECFOSA-N 430.955 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@@H]1CCCCO1 1740751396 JRURTWCDCYWBIR-SBFWRKJZSA-N 438.616 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(C)C 1740774134 MTWUMEHJRWCTPO-UHFFFAOYSA-N 425.625 4.537 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1740827101 JPLFPZABILFEJS-UHFFFAOYSA-N 447.549 4.608 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(SC)CCC2)CC1 1740840542 CALLLGYSSDWDMW-UHFFFAOYSA-N 426.630 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)c1c(C)noc1C 1740894969 ODSYDBKSQDQVCG-MRXNPFEDSA-N 439.560 4.772 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(F)c1 1740923168 FCZGRCWCERGRNY-OAQYLSRUSA-N 442.560 4.970 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ncn(-c2ccccc2)n1 1740923931 ZPBYFICGYHSAFZ-UHFFFAOYSA-N 447.612 4.750 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2CCCC2)C1 1740977054 CEVUBWDVGCTLGI-KRWDZBQOSA-N 431.378 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@@](C)(CC)O1 1748651032 HRFMHBMMDNQWIN-CKFHNAJUSA-N 437.407 4.575 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CC[C@H](C)C1 1748867251 DLGHSAYNYHJGEP-FKBYEOEOSA-N 434.584 4.716 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1748908148 ULUOLVYQJCJYJK-WFXMLNOXSA-N 430.980 4.592 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1749085441 BOKBFEALCSFOMC-AABGKKOBSA-N 445.405 4.876 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C2CCC2)CC1 1749200767 SPAIUOHSLIKLMV-UHFFFAOYSA-N 444.023 4.502 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N(C)CCc1cnccn1 1749395512 JOJOYQXXDSUJOM-UHFFFAOYSA-N 441.377 4.533 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1749511882 OGXCDAOLSJLUEH-UHFFFAOYSA-N 438.457 4.628 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCN1CCCCCC1 1749532623 UZRGPEFYSKAPKD-UHFFFAOYSA-N 432.616 4.876 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1nc(C)cs1 1749547316 OCVCOHRNBZANQN-VQIMIIECSA-N 441.576 4.682 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@@H]1CCOC[C@@H]1C 1749552922 KQEJAPPJDMCKTP-UNMCSNQZSA-N 436.625 4.990 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1sc(C)nc1C 1749552966 MEXJOMLFNKLETK-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCS[C@H](C)C1)C(C)C 1749557063 GFBIXAJPNKFJJA-FYYLOGMGSA-N 439.673 4.894 30 10 IJEE CSc1cc(C)ccc1Cn1c(-c2cnn(C)c2)nnc1N(CCC#N)CCC(C)C 1750266514 FPYFEOKCFQINPI-UHFFFAOYSA-N 437.617 4.523 30 10 IJEE CC(C)SCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1751058755 CJIMVERLAVGXAG-JTSKRJEESA-N 431.581 4.829 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1760131453 SPDKAETYRYJOAU-YLJYHZDGSA-N 445.405 4.936 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(C(C)C)C(C)C)CC1 1760399961 ZSPUEEBBVUUBEJ-UHFFFAOYSA-N 439.604 4.585 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](COC)C1 1760430488 KPBKBSWLIVGSNI-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760443186 PDIQMLORWIJYFU-RXVVDRJESA-N 435.399 4.886 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC1(C)CCOCC1)C1CC1 1760471591 AJXMHHMBXSXSOH-UHFFFAOYSA-N 449.368 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1C[C@]1(C)OCCc2sccc21 1760491263 ZJEOCCUQDFDYAK-DEOSSOPVSA-N 436.581 4.682 30 10 IJEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(Cc1cccs1)Cc1cccs1 1760524035 NTQDGLVSZMSOSG-UHFFFAOYSA-N 441.626 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ncccc2C)C1 1760538354 CTVATQGLGYKLJD-JOCHJYFZSA-N 431.584 4.776 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1761430928 CJNFWJHHWCYQFU-RTWAWAEBSA-N 434.632 4.811 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)S[C@H](C)C2)c(C)n1 1765804760 DHGWRNIBXLSITO-QZTJIDSGSA-N 449.628 4.500 30 10 IJEE COC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@H](C)C#N)CCC(C)CC1 1769758502 AWGCMVPSSABRPJ-WCCYLALTSA-N 447.530 4.738 30 10 IJEE CO[C@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1770579429 CXDLGUPWXFYGOG-HKUYNNGSSA-N 441.988 4.983 30 10 IJEE CCOc1ccc(/C=C/C(=O)Nc2ncccc2OCc2ccc(C#N)cc2)cc1OC 1858753476 LSTXHFMVJXPTLH-ACCUITESSA-N 429.476 4.591 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C(=O)OC)c(Br)cn2)c1 1858758946 UCQQRCVAFULGDS-UHFFFAOYSA-N 432.318 4.721 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc2ccccc12 1862420197 FGBKMYWKFQNMOV-QFIPXVFZSA-N 437.442 4.733 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862431384 GGZDPINJLORBND-JOCHJYFZSA-N 449.938 4.768 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)ccc1F 1862507360 JLGAXBWLYXLTON-HSZRJFAPSA-N 449.453 4.800 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(C)cc2)cc1 1862554415 BYWZKMMHYHXOPE-MZNJEOGPSA-N 442.515 4.925 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862678439 NYBVEZNYVYPPBH-HXUWFJFHSA-N 425.456 4.683 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1863152146 SFIOBSAMAVRMFL-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)nc1C 1865878850 SROHEMGFZONGHJ-AWEZNQCLSA-N 429.929 4.988 30 10 IJEE CC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866779519 FVBXDXBYULVKHJ-XZOQPEGZSA-N 447.485 4.892 30 10 IJEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccc(CCCC)cc1 1870847620 WYBJEADZQAETBV-UHFFFAOYSA-N 426.557 4.567 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(CCCc1nc3ccccc3[nH]1)CO2 1871355413 JXJBABJDVFCCQE-XKZIYDEJSA-N 441.487 4.865 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871449424 WPAOZTRVUSNJHC-PDESAOGPSA-N 427.456 4.911 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2C[C@H](C)O[C@H](C)C2)n1 1871583777 BQMYYUAECGAIOC-BGYRXZFFSA-N 440.636 4.986 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871968254 GURMCPMBBCIHMD-JOCHJYFZSA-N 446.588 4.981 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2ccccc2Br)C1=O 1873253881 RRDJJDQBUMHCKT-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE COc1ccc(OCCCc2nnc(SC)n2/N=C/c2ccccc2OC(C)C)cc1 1874221056 ROECGTJEKAWJPY-LFVJCYFKSA-N 440.569 4.690 30 10 IJEE CCOc1ccc(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874235843 COXFLLJMDRMVNC-YZSQISJMSA-N 447.564 4.801 30 10 IJEE Cc1ccsc1/C=N/n1c(COc2c(C)ccc(C)c2C)nnc1SCCCO 1874256167 WYRZYFKOWUKBDV-WSDLNYQXSA-N 430.599 4.509 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874292189 RBOWYILWKFVGDP-MFKUBSTISA-N 446.532 4.746 30 10 IJEE CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874309518 ZXLCBBRFHSOMMC-LPYMAVHISA-N 445.932 4.628 30 10 IJEE Cn1cccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccccc1F 1874346648 YYZUZZFLTVPPJQ-PCLIKHOPSA-N 435.528 4.552 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1 1874371655 KLYGZSOWKQJYKT-BUVRLJJBSA-N 448.573 4.998 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OC)nnc2-c2ccccc2)cc1 1874428875 GIZPJIFHDNYACC-LFVJCYFKSA-N 438.553 4.661 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(C)C)cc1 1874434280 XAFHHPFISUZUII-BRJLIKDPSA-N 441.988 4.866 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1 1874466494 MQZQVEAWBHUPAG-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(COC)nnc2SCc2cccc(F)c2)cc1 1874498116 RQTCDUOAGCQLQH-ZVHZXABRSA-N 427.549 4.584 30 10 IJEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1OCC(=O)NCc1ccco1 1874589832 FICYMQLLKYJHTD-ZHACJKMWSA-N 433.504 4.805 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c(C)c1 1874597578 UZZNJXQCALFMEN-JXMROGBWSA-N 429.472 4.946 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)NC1CCCCC1 1874624902 BVXWEIUFUWHVIS-MDWZMJQESA-N 441.499 4.567 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(N(C)C)cc1 1874698285 OXAYPAFUVSVWMX-LNKIKWGQSA-N 446.459 4.785 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1c(OC)cccc1OC 1875119847 PMBICVKBWVYJTK-WYMLVPIESA-N 448.471 4.836 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC(C)(C)[C@@H]1C#N 1901486718 YJONYOFVUUZJEU-RPWUZVMVSA-N 445.563 4.844 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccnc(CNC(=O)OC(C)(C)C)c1 1922085943 MQYBJPIXMSQLOE-QHCPKHFHSA-N 425.573 4.920 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CCC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 1935904647 QFKRCBNGVOZEGM-UHFFFAOYSA-N 435.487 4.906 30 10 IJEE C#Cc1ccccc1[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 1951956856 SGDZGIHGBFBTPZ-DQEYMECFSA-N 437.495 4.717 30 10 IJEE C#CCCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCC1 1984725985 TWZYWBYANUNJEZ-AREMUKBSSA-N 444.575 4.954 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@@H]1C#N 1985179782 QYFQSWMOIRAKPL-MSFWWKAZSA-N 445.563 4.748 30 10 IJEE C[C@]1(C2CC2)CSC(=Nc2cc(I)ccc2Br)N1 2029954514 NGUFWIPHKYOHIP-CYBMUJFWSA-N 437.144 4.546 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 2032403295 OCYYXDIFWYSQCZ-FQEVSTJZSA-N 445.560 4.976 30 10 IJEE CC1([C@@H]2CSC(=Nc3cc(Br)ccc3I)N2)CC1 2033115903 UXQFSSBQZNKWEG-NSHDSACASA-N 437.144 4.546 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Cl)c(C)c(Br)c1 2048650304 RUEMGKRJMROAIR-INIZCTEOSA-N 428.754 4.829 30 10 IJEE CC[C@H](c1ccc(C)c(C)c1)n1nc(C2(C)CC2)c(/C=N/O)c1I 2078983161 DUTKXWOMIYGBJF-BTZNOAQDSA-N 437.325 4.964 30 10 IJEE N#Cc1c(C2CCCCC2)nn2c(N)cc(-c3cccc(I)c3)nc12 2081199988 GALDWZRAERNAGO-UHFFFAOYSA-N 443.292 4.502 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cc(Br)cc(C#N)c1)CC2 2174809022 VGMASGUYSHSGGY-UHFFFAOYSA-N 434.378 4.938 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)C1 2180073987 OFBXZKDALAQZTO-OAHLLOKOSA-N 435.362 4.980 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181104151 WNGJXFSRYTWVMF-DVOMOZLQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1(C)C 2186199532 CQQDVGVCYJMQDK-CZUORRHYSA-N 436.350 4.589 30 10 IJEE C[C@H](NC(=O)c1scc(Cl)c1Cl)c1cscc1B1OC(C)(C)C(C)(C)O1 2186625631 BEUQMOKFCWIZPY-VIFPVBQESA-N 432.203 4.907 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#Cc1cccc(Cl)c1 2212455268 SVXVDPGGQASPMX-BULFRSBZSA-N 429.944 4.551 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2235717461 BJGRRSMAZOWJKF-BJLQDIEVSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)C3CCC3)c2Cl)OC1(C)C 2247778372 ATVHUVBVOXCRPR-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE CC1(C)OB(c2cc(F)ccc2C(=O)N(Cc2ccccc2)CC2CCCC2)OC1(C)C 2266973111 BNAUDEUTOPERPL-UHFFFAOYSA-N 437.364 4.958 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCC 2273848327 FBCZVRRBSGDSLF-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE COCCN1C(=O)C(=Cc2ccc(OC(C)C)c(OC)c2)SC1=Nc1ccccc1 2294137569 NPXHYXSLBQMEGF-UHFFFAOYSA-N 426.538 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C#Cc2cccc(Br)c2)C12CCCC2 2296218921 JLEVFHVLHKBABH-MOPGFXCFSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(C)ccc1I 2296306201 DLQXXCNQVOBCDK-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2296797037 GMTBAMFJVQMOIG-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1C=CC(=O)c1cc2ccccc2oc1=O 2297124338 ZAHWWDWKLDJPBB-UHFFFAOYSA-N 436.471 4.584 30 10 IJEE O=C1C(=CNc2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCc2ccccc21 2297329701 JCAQIVSQZFYPHA-UHFFFAOYSA-N 449.488 4.521 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@H]1c1ccccc1 2297456688 SUZNQNRXMHUOAS-QHCPKHFHSA-N 425.440 4.567 30 10 IJEE CCN[C@@H](C#CC1(SC)CCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2299657895 JEDFIZVWRBPTBL-ILWGZMRPSA-N 446.657 4.752 30 10 IJEE CN[C@@H](C#CC1(SC)CC1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2314653373 PYAPQNBLISQXIB-HNNXBMFYSA-N 425.392 4.956 30 10 IJEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)C1 2321158672 IHRMTCQXWXFJLS-NTKDMRAZSA-N 445.560 4.655 30 10 IJEE CCn1cc(C=C2Oc3cc(O[C@@H](C)C(=O)OC)cc(C)c3C2=O)c2cc(OC)ccc21 2321836058 AVZXHRURYSBOIZ-HNNXBMFYSA-N 435.476 4.535 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)c1 2321978179 FKKBLCGPEUQRNO-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE Cc1cc(OC(=O)c2ccccc2Br)cc2c1C(=O)C(=Cc1cccnc1)O2 2322708670 JLVVKMNMMQXRRZ-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CCCNC(=O)COc1c(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)cc1OC 2322853748 SDZSYIHIXAZTQP-UHFFFAOYSA-N 445.943 4.775 30 10 IJEE CCCOC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)c(OC)c1OC 2323035015 JMXZWRQPEPNZGQ-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3C)c2)c1 2323178184 UKHPPRFPMCBWJF-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cn1cc(C=C2Oc3c(ccc(O)c3CN3CCOc4ccccc43)C2=O)c2ccccc21 2324155931 TWQLTSNKEFZXBS-UHFFFAOYSA-N 438.483 4.899 30 10 IJEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2324305037 SWMJNXCDDVRDOE-CYBMUJFWSA-N 431.282 4.784 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2324454259 VVKRDBARBXRRMC-MRXNPFEDSA-N 433.460 4.927 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325424304 FQGRCJMNBANFEC-OAHLLOKOSA-N 433.485 4.973 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 2325690109 BETJKTCSUFTTEC-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(SCCO)n2N=Cc2ccccc2)cc1 2325867579 GXQCCWCTFOVUFM-UHFFFAOYSA-N 438.597 4.554 30 10 IJEE COc1ccc(Br)cc1C=Nn1cnnc1SCc1cc(C)ccc1C 2326589090 BKVQOSNXWDNDAV-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE C=C(COCc1ccccc1)C(=O)C1(O)CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327904476 ARSBACNCFLCUJH-GUXMJAIHSA-N 443.584 4.507 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2C)c1 2331117661 UCHVYWOREMROKI-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1sccc1C 2331344548 VHQBZCGCQCJDJT-UHFFFAOYSA-N 438.582 4.814 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2Cl)c1 2331684601 YYVPINDMAUJHRV-UHFFFAOYSA-N 427.961 4.976 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)c1 2331717581 MXDNWMRBIKAYJV-UHFFFAOYSA-N 435.553 4.557 30 10 IJEE CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512193 KFPRXGWDRSPXQB-SFTDATJTSA-N 446.441 4.576 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339605505 FKCJSENCDHRIJT-QZTJIDSGSA-N 444.381 4.797 30 10 IJEE CO[C@H]1C[C@](C#N)(Cc2ccc(I)c(Br)c2)C1(C)C 2349878904 WSILXLNYGNYJHO-ZFWWWQNUSA-N 434.115 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@@H](O)C#Cc3cccc(Br)c3)CCC[C@H]21 2360196349 OXYYVLBUNLIPNP-HAGHYFMRSA-N 434.374 4.587 30 10 IJEE C=CCC(CC=C)OC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2360214212 GAULNOGOEKBGLW-GOSISDBHSA-N 438.362 4.949 30 10 IJEE CC1(C)C[C@@](Nc2ccc(Br)c(C#N)c2)(C(=O)O)[C@@H]1OCc1ccccc1 2378357446 SMLBCTNQRKJVBA-NQIIRXRSSA-N 429.314 4.571 30 10 IJEE COc1ccc(-c2cc3nc(CSc4nc(C)cc(C)c4C#N)[nH]c(=O)c3s2)cc1 12476499 RGTGTWYZSCHOMN-UHFFFAOYSA-N 434.546 4.836 30 10 IJEE COc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 35131706 UPDQHEJYTDJNNU-NVEDVNMVSA-N 425.484 4.873 30 10 IJEE CCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(CC(C)C)c2O)cc1Cl 38617539 VUBXAPIDNHQDTD-UHFFFAOYSA-N 437.323 4.717 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)cc1OC 41292465 SXEIAKUGFATVJR-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)c(C)c1 59014459 SUMOTKUGBPGKHJ-LSFURLLWSA-N 449.367 4.905 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1)Nc1cccc2ccccc12 59015214 WLMITOPHKJGISA-FSJBWODESA-N 436.928 4.788 30 10 IJEE C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 59721156 MIHLXGHUBUKMAC-UHFFFAOYSA-N 442.522 4.840 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cccc(C(=O)O)c3)[C@@H]2c2ccc(Cl)cc2)cc1 102495020 FUDKYUROYRNCIQ-SADKCHQCSA-N 447.874 4.973 30 10 IJEE N#C[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccc(F)cc1F 111219148 HARNSKMNSDRINN-NRFANRHFSA-N 434.471 4.899 30 10 IJEE N#Cc1cc(Br)ccc1-n1c(S)nc2cc(Br)c(F)cc21 132693854 HBCBTTUOYFCMAV-UHFFFAOYSA-N 427.096 4.850 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 169961534 JWPUQVRFLJGLAF-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)cc1C 169982298 TVTCZZYBSNJTME-JOCHJYFZSA-N 448.544 4.914 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccccc2)cc1 170054855 PQZACILNOPIRKA-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 170056956 AUCJFZZMKVPDHR-OAQYLSRUSA-N 438.911 4.825 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2F)cc1 170069772 XFQPQMZETAFCGL-XMMPIXPASA-N 431.463 4.936 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC)c1 170112199 SDYMVVPXWOKWCJ-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(N(C)C)cc1 170128859 MVNQBJYPCDLODM-HSZRJFAPSA-N 436.552 4.918 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c1 170131555 OQWKDZMJXFUWLK-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccs1 170155051 FEYBIXOPSOAXGP-FQEVSTJZSA-N 429.538 4.539 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1 170155876 MCVONMOMQSIWSZ-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCC)cc1 170215817 YEIQWIUBXXEUGW-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccc(F)cc1 170243181 IPOYRSFPJVUAQE-HXUWFJFHSA-N 447.890 4.875 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)cc1OC 170300324 TYLLIHSAGORACT-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)c(O)c1 170321900 HARICXUUVCDYSR-QHCPKHFHSA-N 435.520 4.658 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OCCO)c1 170324747 PIHGSTKUYBENPW-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE Cc1ccc(NS(=O)(=O)c2ccc(NN=Cc3cccc(F)c3)c([N+](=O)[O-])c2)c(C)c1 254401254 QRJKDKOAINVUGP-UHFFFAOYSA-N 442.472 4.598 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cncc(Br)c1)NCCC 406470776 LBKBXGZYMPZNPB-MSOLQXFVSA-N 426.399 4.614 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCC 406890872 GLLMBAWJFWLVGK-ROUUACIJSA-N 429.374 4.968 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(OC)c(Br)c1)NCC 407059285 IGUDCFSTUCBHMG-QZTJIDSGSA-N 441.410 4.838 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(Cl)c1 426160764 LXYRSFFDHABFKR-HNNXBMFYSA-N 425.851 4.812 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C(C)(C)C)cc1 467890118 OHGYLPSAHMLISO-HSZRJFAPSA-N 436.552 4.810 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(C(F)(F)F)c1 480094898 LZNPIFSNIMTLML-MRXNPFEDSA-N 431.462 4.813 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 480098774 VKXAMIMQXZOKEV-INIZCTEOSA-N 439.441 4.936 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)c2nnc3n2CCCCC3)cc1OCC 521820449 XLQQLFHOBYBXNM-OAHLLOKOSA-N 449.393 4.581 30 10 IJEE CCOc1cc(/C=N\n2cnnc2SCc2cccc(C)c2)cc(Br)c1O 526808816 SUIBECLOWPQNKF-YVNNLAQVSA-N 447.358 4.628 30 10 IJEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc([N+](=O)[O-])cc1 526829204 WQAAPWGJYKQISJ-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2/N=C\c2ccc(C(F)(F)F)cc2)o1 526831166 HRFNHKPTSQOIHJ-OPVMPGTRSA-N 438.431 4.630 30 10 IJEE CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CC2 533736128 CPLHXSJTLCTEIA-UHFFFAOYSA-N 428.463 4.933 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 549087526 ZASMYPNXZYUWTC-UHFFFAOYSA-N 435.484 4.912 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 558813480 MDIJEQSGSHEPDZ-UHFFFAOYSA-N 429.446 4.874 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 575165409 JTASNYDTPVKZBU-HXUWFJFHSA-N 425.492 4.750 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)Cc1ccccc1F 586155240 NQOLOSOSLNXJQT-UHFFFAOYSA-N 444.915 4.750 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705515119 SXJRQDPBZHEWBM-GPUOULLFSA-N 436.596 4.905 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1cc(F)ccc1Br)C2 712726154 MILIPVCOQLIQEQ-HOTGVXAUSA-N 426.326 4.878 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(C2CC2)C(=S)N[C@H]1c1ccc(O[C@H](C)C#N)cc1 731432717 LJINPUIHKHRNGN-MWTRTKDXSA-N 431.561 4.680 30 10 IJEE C=CCn1c(-c2cnccn2)nn(CN2CCC(F)(c3ccc(Cl)cc3)CC2)c1=S 799146102 YFPVDWKCTRFNQY-UHFFFAOYSA-N 444.967 4.629 30 10 IJEE COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(OC)c1O 1084432077 PETMFXYVNYAKES-RIYZIHGNSA-N 425.293 4.608 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2ccc(F)cc2)nc1 1124607854 RKIVUYQJJFZWDP-UHFFFAOYSA-N 437.423 4.756 30 10 IJEE C=CCc1cc(CNC(=O)c2nc3ccccc3cc2Br)cc(OC)c1OC 1125544249 FIKYIGBHFMVYMS-UHFFFAOYSA-N 441.325 4.673 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1 1126549154 BBJKNBKRFOGRJT-UHFFFAOYSA-N 425.517 4.743 30 10 IJEE COc1cccc([C@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c2cc(F)ccc2OC)c1 1126899157 AEFVDSKGGRBPHL-GKVSMKOHSA-N 432.495 4.799 30 10 IJEE C=C(C)[C@@H](CC(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)OCC 1127728804 UAZACNYTXYSRFB-FGZHOGPDSA-N 426.557 4.893 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)c2c(F)cc(Br)cc2F)c1 1128568809 FBEIXNJNBPIPCI-UHFFFAOYSA-N 431.030 4.718 30 10 IJEE C#C[C@@H](NC(=O)c1cc(I)cc(C(F)(F)F)c1)c1ccc(F)cc1 1129603121 NAXCUZZKUPUNCE-OAHLLOKOSA-N 447.169 4.553 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 1136168456 BCXBWBAJUCTDRZ-BEFAXECRSA-N 427.570 4.602 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCCCN2C(=O)OC(C)(C)C)cc1 1136408376 LYOFCEMFGBUCFQ-NRFANRHFSA-N 441.572 4.619 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 1142697050 DTGWWCQJIMTTMJ-UHFFFAOYSA-N 427.504 4.588 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)c1ccccc1 1197505939 WEUBUKCTVAAUGG-NRFANRHFSA-N 429.586 4.855 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)c1ccccc1 1205586606 CNVCCBKHGAJBAC-QHCPKHFHSA-N 442.581 4.858 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)no1 1215111639 BARDRJMJCMVDNK-CYBMUJFWSA-N 445.401 4.730 30 10 IJEE COc1ccc(CN(C(=O)Nc2cc(OC)c(C#N)cc2F)[C@@H](C)C2CC2)c(OC)c1 1219580353 AMBUNZUTLPMOGL-AWEZNQCLSA-N 427.476 4.556 30 10 IJEE C=CC[C@H](NC(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1)c1ccncc1 1222021488 JQOQNWXEPVMBQM-FQEVSTJZSA-N 438.528 4.650 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(Br)cc2Br)cc1 1264161603 YTYILMTYQWWJIX-UHFFFAOYSA-N 425.120 4.958 30 10 IJEE N#Cc1ccc(OCC(=O)N(CCc2cccc(F)c2)C2CCCC2)cc1Br 1266190626 DWSFWGYUBAHTRX-UHFFFAOYSA-N 445.332 4.853 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ncc(CC)s1 1286281605 IMSFLWHDAQNXTQ-KRWDZBQOSA-N 447.564 4.642 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1scnc1C 1286357315 TZNPRNFTYSQBHB-UHFFFAOYSA-N 437.613 4.969 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(Cc1cccs1)C1CC1 1286505659 IQOXQVDJMRYASA-UHFFFAOYSA-N 444.576 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC1 1286518922 MWTWZCYJVZCRAJ-NTKDMRAZSA-N 442.007 4.550 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CC2)C1 1286534347 AYDIZAZODWDVBA-GDBMZVCRSA-N 435.341 4.702 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCS[C@@H](C)[C@@H]1C 1286588009 XWSHQPOUDISNFO-KBPBESRZSA-N 437.407 4.623 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC=C(COC)CC1 1286625519 IAFUTBXYUKXSBQ-UHFFFAOYSA-N 430.980 4.905 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1286685766 YJYYZGJWQUIMMV-GOSISDBHSA-N 439.633 4.999 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCCCC[C@H]21 1286690531 LMJMJYRDOOWYFY-RTBURBONSA-N 427.618 4.785 30 10 IJEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1C(F)(F)F 1286700931 OXBJHGUFOYCKTG-UHFFFAOYSA-N 447.461 4.627 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1286701464 VLQILEAJIRCEGH-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(=C)C 1286743192 BMANVTSHCLQZSG-UPVQGACJSA-N 429.568 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CCN1CCCCC1 1286747294 HTZPPAZTVHHDSM-UHFFFAOYSA-N 437.613 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1sc(C)nc1C 1286756868 YMGMFNJFVGJBMF-UHFFFAOYSA-N 432.553 4.900 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286770015 LHPWXXPRNJZDJX-OXQOHEQNSA-N 445.489 4.695 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c1 1290334852 QUWFKZGYDFPRNU-UHFFFAOYSA-N 433.533 4.531 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCN(CCC)CC1 1300325319 XRLYIYYMKKHBJX-GOSISDBHSA-N 446.064 4.804 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(Cl)s1 1300511887 CZAPVQFLESRMFC-UHFFFAOYSA-N 431.952 4.638 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C/C=C\c1ccccc1 1300788757 LJHZGTMFQDCIGS-WMAYMBLKSA-N 436.357 4.741 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccccc1F 1300790673 ULAVBWOUCMAVHL-WAIKUNEKSA-N 439.922 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(=O)NC(C)C 1300901183 MOGIGASZBJHKQL-UHFFFAOYSA-N 448.615 4.670 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1301190245 PEXGPIFRVXGCGB-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1301246992 ZZXCUZTYDIXPAB-IAGOWNOFSA-N 449.368 4.532 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccnc(SCC)c1)C1CC1 1301317654 WFRADLCDFLMIIY-UHFFFAOYSA-N 436.541 4.563 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCc1cccnc1)C1CC1 1301317778 YWDUCTAYLFIJOV-UHFFFAOYSA-N 430.375 4.562 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCCS1 1301399432 MUKDSUDLNLNVNC-OTWHNJEPSA-N 447.649 4.513 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCOC2)C1 1301594576 HBSJQEXZFBUQDD-HYBUGGRVSA-N 442.629 4.571 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1301615071 DVCLXZXAUUKKMC-IRXDYDNUSA-N 427.643 4.600 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2ccccc2OC(F)F)o1 1304305796 IELFOWFPWBXYPP-UHFFFAOYSA-N 427.455 4.626 30 10 IJEE Cc1csc([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)n1 1304616870 CIQPFFCNGXWXCI-HYVNUMGLSA-N 442.564 4.864 30 10 IJEE CN(CCC#N)CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 1307509144 AMTAGEGNCNHJIW-IOTSTOIWSA-N 448.517 4.933 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(F)cc1Br 1308377801 AGFBRUAEKFBWGB-UHFFFAOYSA-N 427.111 4.653 30 10 IJEE CCCc1c(NC(=O)NCc2cc(Br)cs2)cnn1-c1cccc(C#N)c1 1310576209 HRKAKZZVUNUUJG-UHFFFAOYSA-N 444.358 4.842 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Br)c(F)c1F)c1ccc(Cl)cc1F 1312942213 JXOVEPDNRJGBGP-AWEZNQCLSA-N 431.639 4.694 30 10 IJEE Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(OCC#N)cc2)c1 1353824330 FTQMCNMSBVJFAY-IZZNHLLZSA-N 425.532 4.752 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc3c(Br)cnn3c2)c1 1358007808 YQSMIZAHRMSQGP-UHFFFAOYSA-N 436.334 4.987 30 10 IJEE CCOc1ccc(CN(C(=O)COc2cccc(Br)c2C#N)C(C)C)cc1 1358417413 FTLAYJIEQQNQCI-UHFFFAOYSA-N 431.330 4.535 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cscc1C 1358981949 DHANCYBIBJHNNB-UHFFFAOYSA-N 432.593 4.780 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2=CCCCC2)CC1 1359032905 IGQOPWVCRMGGDA-UHFFFAOYSA-N 447.627 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1359109622 IQYNZTMLPZMNJL-SIKLNZKXSA-N 440.588 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN(C)C1CCCCC1 1359110995 KZUUYEMICZQDNG-UHFFFAOYSA-N 447.631 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1nnc(CC)s1 1359116210 BXRVXCSLJLPKRN-UHFFFAOYSA-N 428.631 4.743 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1359118358 DFWBXKRESOISLH-QGZVFWFLSA-N 446.477 4.587 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1Cc1ccc2c(n1)CCCC2 1359254049 CONFTEBESMSQFK-UHFFFAOYSA-N 431.584 4.925 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1359259737 GLMYDBFIRJCBHI-UTKZUKDTSA-N 443.567 4.564 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@H]2CCCC[C@H]2C)C1 1359316895 YHBSMNCUZQSWGI-QIJUGHKUSA-N 445.007 4.975 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1359336116 FZYFXVGYLUFDOX-IBGZPJMESA-N 441.645 4.939 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cc1 1435976690 OJNYGIIFYUBKGA-NFBKMPQASA-N 440.927 4.508 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1456897294 SCFAMCJDPNATIW-HEIROHQZSA-N 448.544 4.894 30 10 IJEE CC(=O)c1cccc(OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1F 1464427672 VBCRQZBOSNXMKC-UHFFFAOYSA-N 430.297 4.834 30 10 IJEE Cc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc(F)c1Br 1466834590 BVMOHSVBHWUCLS-UHFFFAOYSA-N 432.293 4.844 30 10 IJEE C=CCC1(CNC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)CCCC1 1467989813 AYZKJFWQKBRMCP-UHFFFAOYSA-N 431.627 4.762 30 10 IJEE C=CCN1CC[C@@H](N(C)c2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)C1=O 1472770400 MFEMURDZCPZRIB-LJQANCHMSA-N 426.442 4.539 30 10 IJEE C#C[C@@H](Nc1ccc(Br)c(C(=O)OCC)n1)c1ccc(Br)cc1 1472794510 FYLGYVIIRUZVHM-CQSZACIVSA-N 438.119 4.570 30 10 IJEE COC(=O)[C@@H](CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 1476606475 FOPNUZRXYWPELK-NRFANRHFSA-N 431.517 4.788 30 10 IJEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1498769247 FWUJKGJBYDVKPS-PMACEKPBSA-N 434.632 4.638 30 10 IJEE CCN1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1502291678 FLIVFVVKIJPKKT-CMKODMSKSA-N 445.011 4.684 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2C)C1 1503318407 BLGVGDRGZRATRW-LEWJYISDSA-N 432.597 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1507543860 RVXGZLYURQYESG-VQIMIIECSA-N 449.624 4.561 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1C1CCCCC1 1507544113 SJFIPZUAOKNYIT-ISKFKSNPSA-N 449.643 4.729 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(CCC#N)CC1CC1 1507555021 CQVLRUKSSVXSCX-UHFFFAOYSA-N 426.362 4.641 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCc2sccc2C1 1507570965 NHMUYFLFSDMERK-UHFFFAOYSA-N 431.565 4.547 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC[C@@H](SC)C1 1507576544 XFQVIYJVXRAXLE-SIKLNZKXSA-N 442.629 4.952 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(CC)s1 1507660930 HTXKNODPCKVJLV-UHFFFAOYSA-N 439.588 4.937 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507870115 DTOCMPGPPOIUFK-PMACEKPBSA-N 446.039 4.960 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1507926088 ATJNVJOWAINQMI-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)CCCN2C 1507929020 NDESFMYAWIIWJX-QHCPKHFHSA-N 437.632 4.785 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507929954 SWTZWUWMYYEEPO-MPCCHNLFSA-N 438.616 4.771 30 10 IJEE C=CCCOCCn1c(CC2CC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1507965035 JSZLLEFZOZKZJK-INIZCTEOSA-N 445.405 4.710 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCc1sccc1C 1507975764 UQLMYQQZUUQSGJ-UHFFFAOYSA-N 447.402 4.951 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1508005138 UNJKDPCKOGISCW-UHFFFAOYSA-N 447.530 4.508 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1508008172 LFUROMSUAWGJDA-IYWMVGAKSA-N 430.618 4.630 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(CCCO)CC1 1508050364 BODAKXJMLXJACM-UHFFFAOYSA-N 426.561 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2OC(F)(F)F)C1 1508124790 MNHPOTBLPIIQBY-KRWDZBQOSA-N 438.494 4.595 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1508165692 WNYGXNWJUYIEQV-OAQYLSRUSA-N 426.630 4.933 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(Br)cc(F)c32)cc1OC 1521809838 HDTOBWVCILQRIA-ALCCZGGFSA-N 432.289 4.764 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)Oc1ccc(Br)cc1 1525640128 ZZDGTULGGYLYIK-UHFFFAOYSA-N 434.378 4.989 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)c1ccccc1 1526451717 HROHYQLOZNHUHP-QFIPXVFZSA-N 428.488 4.822 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)C(F)(F)F)cc1 1532569606 BLBMPOGJSGUKAR-SPEDKVCISA-N 437.458 4.852 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1537452732 IPXUXAZLWCMJBA-KEEVHDRGSA-N 428.554 4.535 30 10 IJEE C=CCSc1ccccc1C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1537980629 VAYDZWITJJYWKB-UHFFFAOYSA-N 428.355 4.843 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(C)cs1 1539141735 HQUBBBIGUPOUQG-IBGZPJMESA-N 443.617 4.770 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCc1csc(C(C)C)n1 1539165664 JGEKLHHGMQZNBB-UHFFFAOYSA-N 444.402 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(c3cccc(OC)c3)CC2)nnc1C(C)(C)C 1539640782 JOAYVOKOJOBIQQ-GMAHTHKFSA-N 438.616 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CCC)CCC1 1539654832 DXTQNEBQQCLVCK-UHFFFAOYSA-N 430.618 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CCc1nc2c(s1)CCCC2 1539659086 IOXQCPNOPUYWTD-UHFFFAOYSA-N 437.613 4.934 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1539835346 CPOJHUDNQXBAEK-QFIPXVFZSA-N 435.572 4.786 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540013150 LKIFTNGVAQWXEX-OAQYLSRUSA-N 448.615 4.983 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1540021927 WQNVMGAPMGYAAF-MOPGFXCFSA-N 428.602 4.693 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCc1nc2c(s1)CCCC2 1540081256 WQALCFJPJRBJGX-UHFFFAOYSA-N 425.577 4.598 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1ccc(OC2CCCC2)nc1 1540127102 BMCOYXSQVWOCBO-UHFFFAOYSA-N 442.567 4.669 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1C[C@@]1(N(C)C)CCSC1 1540134383 RGTCKSNZBDFSHY-MBSDFSHPSA-N 431.625 4.561 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(F)c1 1541799215 AFZVILQJSJMROU-GFCCVEGCSA-N 434.338 4.695 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cccc(Br)c1 1542501010 CKFRHFNUFDBSDM-CRAIPNDOSA-N 439.394 4.746 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@@H](c1ccsc1)N(C)C 1542707364 FHEKXONOBBRCEN-QFIPXVFZSA-N 434.613 4.748 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)C(C)C 1558910310 ZGHHSVZKHOSQOT-JYFHCDHNSA-N 447.623 4.507 30 10 IJEE C=CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1CC=C 1559315700 FETLWAOBHKKXMD-INIZCTEOSA-N 430.643 4.738 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)[C@H]1CCCc2ccccc21 1563413960 ZHFDGSPNAGFYAF-RRPNLBNLSA-N 445.607 4.945 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCc2c1ccc(F)c2Br 1564753635 YYYHCWXNTYWJPK-LJQANCHMSA-N 428.305 4.845 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCC(C)(N(C)C)CC1 1565237266 DYYGJMISBMMIFN-UHFFFAOYSA-N 426.374 4.549 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1587798094 BPWJNRSIHPBHBZ-UXHICEINSA-N 448.489 4.530 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ncc(Cl)n1C 1587823461 RCRSFIXEURHBPP-UHFFFAOYSA-N 443.020 4.712 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCC[C@H]1CC 1587922346 ZQNDIWOSGSEHQS-HSZRJFAPSA-N 444.627 4.687 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H](C)C1 1589036592 LOCCIWWRVQRTGT-HXUWFJFHSA-N 426.630 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2ccc(O)cc2)nnc1[C@@]1(OCC)CCOC1 1594528291 HZEGFNSPUGBFGQ-SQJMNOBHSA-N 440.588 4.580 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 1594681078 YNIOPRMHXUXZKR-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCCOC)C1 1594698354 OINHYRPUYLWQOD-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1CCC(C)(F)F 1595099556 DCYLIDSFPHXZQO-UHFFFAOYSA-N 442.539 4.743 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1595250892 LHLSQVQQEKYBAB-GOSISDBHSA-N 443.592 4.629 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C1CC(C(C)(C)C)C1 1595275897 RYXZZBZLPMRHQD-UHFFFAOYSA-N 436.398 4.672 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1595442509 PFKFHIANQCOLPE-UHFFFAOYSA-N 434.588 4.890 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2ccsc2)C1 1595754647 PNAHWBBMLYFKNT-HXUWFJFHSA-N 440.638 4.964 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCCN(C2CCCC2)CC1 1595860035 FYRIQQYPNJBZCB-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1595901339 UHSWDIAFJGXBIE-OAHLLOKOSA-N 442.963 4.911 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1608088488 ARXNVNXBNXPSCA-IGKIAQTJSA-N 448.659 4.704 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2CN(C)C(C)C)o1 1612028563 DEENMLLSTXHPNZ-UHFFFAOYSA-N 446.599 4.865 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2CCCC2)C(C)C)nc2sc3c(c2c1=O)CCCCC3 1613118841 ZUHYOPVOACOYEP-IBGZPJMESA-N 445.654 4.652 30 10 IJEE N#C[C@@H](C(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccccc1 1613388516 BPUURESURYQICB-CQSZACIVSA-N 434.304 4.924 30 10 IJEE C=C(CCC(=O)OC)C(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1620755779 NQJOUSOYXAXWQW-UHFFFAOYSA-N 448.357 4.728 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 1621676181 QMRZYMDISLKFDS-UHFFFAOYSA-N 430.595 4.979 30 10 IJEE C=CCC[C@H](C(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1)c1ccccc1 1629173358 KZZDIWGFRLAMQL-QUCCMNQESA-N 436.581 4.753 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1)c1ccccc1 1631091152 VZOKILJXGONFAE-GOSISDBHSA-N 426.460 4.694 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1)c1ccccc1 1633416978 IHWIQNNRYNEEKG-ZJSXRUAMSA-N 449.595 4.578 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 1634121825 ARDIXHXUDMLCPD-FXAWDEMLSA-N 435.540 4.605 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H]2c2ccccc2Br)c(OC)c1 1635586487 LEOWCQWBHNKFKU-IBGZPJMESA-N 430.342 4.929 30 10 IJEE C=CC[C@H]1CCN1C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1636893369 AMZWNAOUBVHOME-ZBFHGGJFSA-N 425.579 4.863 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)cc1OC 1640259524 KJYWSXPJQVWWRU-SINXNMPMSA-N 426.944 4.569 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCc3cc(F)c(F)cc32)n(-c2cccc(F)c2)c1C 1642084545 FAIOTDQKAVOMLL-UHFFFAOYSA-N 438.453 4.774 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)C(C)(C)C(=O)OC)nnc1-c1ccc(C(C)(C)C)cc1 1651596905 ROWCNIOTNURXPZ-HNNXBMFYSA-N 429.586 4.678 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@@H](C)C3 1652492451 LXFSQQBOOWKFBG-OXQOHEQNSA-N 440.634 4.855 30 10 IJEE CC(C)[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2c(c1)OCCO2 1653127155 AOXVWRYBWZSVJQ-HSZRJFAPSA-N 439.581 4.585 30 10 IJEE COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 1653826545 GEJSTHFKDABGOT-KRWDZBQOSA-N 444.373 4.533 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3C3CCOCC3)c2C#N)C1 1653923877 CCXTZTYZCKGUCZ-WIYYLYMNSA-N 443.657 4.990 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)CC1 1660329826 RUQYVJDJAMDTQS-UHFFFAOYSA-N 442.869 4.694 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 1660840137 HJDALNRAQYFWRV-MBSDFSHPSA-N 447.535 4.618 30 10 IJEE C[C@@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1661104178 ASXVBNQUTRYYSO-NSHDSACASA-N 436.377 4.978 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)c1 1662186623 BXHVJKSSZQSHIM-JPMGXVIASA-N 445.382 4.967 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1662378931 OKMRTEGQCYJUCK-LJQANCHMSA-N 442.459 4.783 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1cccc(Br)c1I 1662990719 QDJUGFDIVCZDDL-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1)c1ccc(Cl)cc1F 1669153363 UQGJHPBVUCUHMQ-JOCHJYFZSA-N 445.899 4.933 30 10 IJEE Cc1coc(-c2cc(NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)ccc2C)n1 1669235627 FAFJZWBQPGZBGF-UHFFFAOYSA-N 429.524 4.616 30 10 IJEE CCC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCN(c4ccsc4C#N)CC3)sc2C1 1669795640 CMRLROPUJOEYIW-OAHLLOKOSA-N 443.642 4.971 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cc(OC)c(Br)cc2Br)c1 1670912764 SCHFQFKFATZAEG-UHFFFAOYSA-N 438.119 4.870 30 10 IJEE CC(C)(C)c1cc(NC(=O)NCC2([C@@H](O)c3ccccc3)CC2)n(-c2ccc(C#N)cc2)n1 1671797626 HZBJUFWYTJWUKV-QHCPKHFHSA-N 443.551 4.677 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1671851230 DBJKSQLTNANNLA-IQOKHDRSSA-N 449.542 4.918 30 10 IJEE CN(CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 1673677993 CCWCVRRQMQXQFW-UHFFFAOYSA-N 444.919 4.992 30 10 IJEE COc1ccc([C@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)N2CCCCC2)cc1 1675293922 FAZZOZPEECTNLJ-SANMLTNESA-N 444.579 4.593 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1ccc(C(F)(F)F)cc1 1680632349 CEAINSQTUBKKLS-LJQANCHMSA-N 433.474 4.950 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)c(Cl)c1 1680875020 IGBGLIJTIXLBNX-UHFFFAOYSA-N 442.947 4.607 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1)c1ccccc1 1683507984 KYEDEWQQLFLNGV-FGZHOGPDSA-N 437.584 4.572 30 10 IJEE C=CCC[C@@H](CO)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1683732680 FIDSGHOQACDBGA-AWEZNQCLSA-N 444.400 4.902 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 1687036796 VSARNUYGFCTIKU-HYBUGGRVSA-N 445.051 4.771 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)cc1F 1689835050 FHTDTTDBWHZFFW-LSDHHAIUSA-N 426.536 4.916 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1CCN(CCC(C)C)CC1 1689947781 LFXOFWSCCBDJAS-UHFFFAOYSA-N 433.644 4.576 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCCSC 1690006068 ICKNFIDAUHKCLF-UHFFFAOYSA-N 426.655 4.882 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@@](C)(CC)O1 1690069275 KYXBOBLFXROPID-HRAATJIYSA-N 431.378 4.515 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1690089512 CPWFZEJUSDIING-BGYRXZFFSA-N 437.607 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)OCC 1690196316 GUTWICBMHLIXJX-OAQYLSRUSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690214680 RVDHZRCFFYCUPN-QUURXOELSA-N 436.625 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1690272595 CNHHBMOADKZGFW-GUDVDZBRSA-N 449.640 4.512 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1690306856 HPGGXNWNVFJOMJ-LAUBAEHRSA-N 442.560 4.705 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1690382158 DMPGLKROLINPIM-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1690404697 NZKCXYMYDVNGMO-UHFFFAOYSA-N 444.486 4.743 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC(S(=O)(=O)CC)CC1)c1ccccc1 1690442185 NYNOSSQMZIBNEU-TZIWHRDSSA-N 444.645 4.555 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1690503123 QSZHLBPNGOSYIK-LJQANCHMSA-N 441.938 4.719 30 10 IJEE C=CCSCCn1c(N2CC[C@@H]3CCN(Cc4ccccc4)[C@H]32)nnc1C(C)(C)C 1690750418 IYGHDDHXSOPXNI-SFTDATJTSA-N 425.646 4.553 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(C)C)CCC(C)CC1 1697237591 GRTBIYQDECIIGQ-UHFFFAOYSA-N 439.604 4.806 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1705509716 JDDLIZWPDHGXQY-KGVIQGDOSA-N 442.991 4.879 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1CSC 1705511064 HJBJDFXDSNESAT-GOSISDBHSA-N 433.419 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCC1(C)C 1705591989 NOPRHUHCOHDRRJ-NRFANRHFSA-N 426.568 4.624 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](c1ccco1)N(C)C 1705608537 VSIZAVBGOKRDEW-SFHVURJKSA-N 432.355 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)C1CCCCC1 1705671017 SBMCDHAHHLNDDE-DNQXCXABSA-N 426.992 4.922 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCOc1ccccc1C(C)C 1705676128 NZWIJIZJXCSILF-RUZDIDTESA-N 449.624 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(CN(CC)CC)cc1 1705676236 SWKYCRYFBOVBNY-HHHXNRCGSA-N 433.644 4.893 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1 1705688083 NFLATUWQQAARSG-LBPRGKRZSA-N 447.274 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CCCC 1705704261 RPBXXGSEKNJBAQ-OFNKIYASSA-N 434.588 4.738 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)c2ccc(F)cc2)CC1 1705775884 PTZSALVQFLRHIT-KRWDZBQOSA-N 427.568 4.542 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705800158 PWKXPDJAQYWMNK-SLFFLAALSA-N 427.568 4.586 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CC1(C)CCOCC1 1705857258 RZVWQWMZHBRRJP-UHFFFAOYSA-N 426.605 4.885 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN1CCC 1705867470 OHOKFRLQAVEHSC-TZIWHRDSSA-N 429.634 4.648 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1705882595 CVMHYWXRMCTITB-NHCUHLMSSA-N 439.648 4.649 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCSC[C@H]1C 1705941235 DKVZRGINCKBRQS-QGZVFWFLSA-N 448.658 4.602 30 10 IJEE Cc1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(CCC#N)CCC(C)C)on1 1707948435 HSUOJLWLZWQUPE-UHFFFAOYSA-N 426.952 4.633 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCSC1)C1CCCC1 1710403512 AHQHQBHUHBBXKB-VXKWHMMOSA-N 439.629 4.744 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2C)C1 1710935050 AQLPRQMHDVFBIH-AGOPTVSRSA-N 439.629 4.600 30 10 IJEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCC(C)(C)C 1712008364 DZXOGMHWHSXAEV-DEOSSOPVSA-N 425.577 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccccc1C 1722283069 TZINMJMMWRRXFO-MJGOQNOKSA-N 434.609 4.977 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1722348100 RAQMNQZKRYHUKN-UHFFFAOYSA-N 439.604 4.569 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1722432377 RPQFQXPBCIQILV-UHFFFAOYSA-N 446.555 4.503 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1722459768 QRMRSDCRBCECDV-QFIPXVFZSA-N 438.641 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)C1 1722491956 PALVLSRVYPOVAC-RKNAOSRDSA-N 446.542 4.723 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2nccnc2C)CC1 1722565133 WMJNODAYOBXBCK-OAQYLSRUSA-N 432.572 4.532 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@](C)(O)CCC(C)C)CC1 1722569767 NXZBAXJRLMJYDA-VWLOTQADSA-N 426.605 4.763 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722576634 RKFLKOFASMSADW-ZHRRBRCNSA-N 445.405 4.661 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](F)COC)CC1 1722579376 OXDUAHRUYSQPNI-FQEVSTJZSA-N 430.568 4.676 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 1722596932 PHWPFCCZIPAHLD-FQEVSTJZSA-N 431.575 4.614 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1722603170 PTRTWXDYFMTTKO-UHFFFAOYSA-N 444.583 4.860 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722680609 SMKFXTPHLMCOGJ-ROUUACIJSA-N 440.485 4.940 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2cc(Br)cs2)C1 1722715224 RNGRFTKQKFVQKA-INIZCTEOSA-N 437.407 4.589 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](c2ccco2)C1 1722743114 QVIJOILYCYZYCE-FQEVSTJZSA-N 438.597 4.980 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC=CCC1 1740539141 NGXYIAFVYMZBCX-HZPDHXFCSA-N 429.362 4.530 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740568577 ZMGPTXMNQQBRJU-QUCCMNQESA-N 443.389 4.516 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1740576633 BUFHDOJXAPTUOP-IBGZPJMESA-N 448.537 4.871 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1nc(C(C)(C)C)cs1 1740599446 AQZOICGUBYDLEA-MRXNPFEDSA-N 441.576 4.623 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)C1CCCCC1 1740603371 QFXRICCASUHDAD-XDHUDOTRSA-N 426.630 4.532 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nc2c(s1)C[C@H](C)CC2 1740605915 YXMDRUMYMRDGRN-CYBMUJFWSA-N 446.407 4.951 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](CC)C1 1740721307 FCDXSBQXTQTIDH-FQEVSTJZSA-N 426.630 4.892 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1740775988 JWYFWCJVPUEIOR-HSZRJFAPSA-N 438.616 4.938 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1740795924 INXVNWMPRBDAOF-LJQANCHMSA-N 443.642 4.672 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740804462 AIGRFLKGYNTZQV-MRXNPFEDSA-N 443.935 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C[C@H](c2cccs2)N2CCOCC2)nnc1C(C)(C)C 1740852621 QLQCXKCRIBOROW-LJQANCHMSA-N 445.677 4.749 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1740872042 WVEYDQQINHMQON-HSZRJFAPSA-N 428.602 4.652 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(C)(C)C)cs1)C1CC1 1740907077 OQOVNJBOXWUXDA-UHFFFAOYSA-N 432.597 4.968 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1cccs1)N(C)C 1748646971 GQDZTPITKNKNAU-GCJKJVERSA-N 444.608 4.624 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cc(Cl)ccn1 1748734642 KBQQBANLBMORKZ-UHFFFAOYSA-N 444.764 4.806 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CC12CCC(CC1)C2 1748902804 UMXDGUKRAPLQHO-UHFFFAOYSA-N 434.609 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1cccc(C(F)(F)F)n1 1749148170 YJUVXWUEEUFNRZ-UHFFFAOYSA-N 431.462 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCC(C)CC1 1749165500 HATBBPWJKAYJTM-JOCHJYFZSA-N 434.632 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCO[C@H](C)C1 1749170186 BWIWQUFSOWYEPY-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749393554 ZKOARFPMBTVTBT-RTBURBONSA-N 428.577 4.711 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1749417863 SASJDBHJPFSWSI-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCCc1cccc(C)n1 1749550642 FSDHDHDZTCTBFA-UHFFFAOYSA-N 430.581 4.930 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H]1C 1749595863 LMNRMOAWOMJUMB-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)C1 1751995169 GNJQDEJIHOZKSJ-DBXWQHBBSA-N 434.613 4.663 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760132982 VVLHYVDEZDTSJB-DEOSSOPVSA-N 430.600 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)C(C)C 1760290333 CJOPOCMAZBANPG-HHHXNRCGSA-N 444.627 4.685 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCN1CCC(C)CC1 1760295943 MMNDZWOUIIQHNF-HHHXNRCGSA-N 433.644 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(CC)CC(C)C 1760322993 ACIRREOVDYJRCP-XUZZJYLKSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CC(OCC)C1 1760330753 DUZUSRJQUAQXMS-UHFFFAOYSA-N 426.605 4.575 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1760342956 RAZKRWVFYCOXFO-GOSISDBHSA-N 431.378 4.537 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC)[C@H](C)C1 1760367620 SEYIXLDQKKLYBC-LJQANCHMSA-N 439.007 4.636 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOCC(C)C)CC1 1760392829 BNLBYSKPTDBENF-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1760396395 CIXDSRHACWFXSZ-CMKODMSKSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(Cl)c(OC)c2)CC1 1760403022 CQZXGKOPBIGVKO-UHFFFAOYSA-N 437.975 4.571 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](C)OC)CC1 1760404380 CJRFGKQOFMPOEX-SFHVURJKSA-N 432.996 4.689 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCCCO1 1760410345 AWUBRVRSITUWDP-QFIPXVFZSA-N 434.588 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CCOCC2)C1 1760415093 ODQGQHWUTIFYKB-UHFFFAOYSA-N 438.616 4.681 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1nc(C)c(C)s1 1760483320 MKLWFZVVSGEVIM-UHFFFAOYSA-N 434.544 4.793 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCn2ccnc21 1760497321 AJLOWCOGKCXVNQ-FQEVSTJZSA-N 434.613 4.831 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1CC 1760564806 HUTXEQBEFDODIR-OALUTQOASA-N 449.665 4.691 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1762878737 BQPCIOSZOFOURD-DPLHUUCSSA-N 434.632 4.810 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)C1 1763416972 DHQNOWNMSWVMOQ-CYBMUJFWSA-N 432.475 4.577 30 10 IJEE CCCCCCCCn1cc(O[C@H](C)C(=O)Nc2ccc(CC)cc2)c(=O)cc1C(=O)O 1857890056 GHHZILNZEDQFLM-GOSISDBHSA-N 442.556 4.875 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861191052 HQOXKZXXWSSTBW-LADGPHEKSA-N 447.639 4.799 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1Cl 1862380538 FQXSTFIVAZYBJK-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)ccc1O 1862418664 LGKCMJPFTPNIEL-NRFANRHFSA-N 443.446 4.590 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430728 QNGKOXLKZGNNIU-FQEVSTJZSA-N 439.920 4.928 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)cc1 1862456369 QFDODIZWBOGKDI-OAQYLSRUSA-N 447.453 4.806 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1 1862468457 PNKDCHUENKQVRQ-LJQANCHMSA-N 444.325 4.779 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1 1862637271 WIPFXQODQORQHN-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCN(C)C)c1 1862722263 ORXDZFKIBQKIKL-VWLOTQADSA-N 440.543 4.802 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862724903 WSYZUCTZKBHQBT-IQGLISFBSA-N 441.527 4.875 30 10 IJEE CN(C)c1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862798783 QBSNQVHIPMIQHL-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968496 QFANYUJIRFIJFE-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2cc(F)ccc2F)C1=O 1863132491 MEACAEGTKRGKHI-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccccc1 1871185655 SNBWZONCUQMGMN-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)c1 1871348221 YTMZZZOBLKXORP-MXAYSNPKSA-N 443.499 4.981 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 1871381404 SLBIQIGMIWIWDF-AMUWGTMJSA-N 443.411 4.838 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871421978 PMPGIXFTIAWCKD-UCQKPKSFSA-N 440.492 4.822 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545559 PIXSITBYYWVABT-OALUTQOASA-N 428.600 4.853 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871996026 PHZWSDLZNUSVNM-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(OC)c1OC 1872771885 FELOGYMQLVUYHQ-HNNXBMFYSA-N 426.469 4.774 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2cccc(OC)c2)C1=O 1873214897 DVNZBYCCDDGCCJ-UHFFFAOYSA-N 426.472 4.866 30 10 IJEE CCCOc1ccc(/C=N/Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1OC 1873526798 WWNFZPYUFLBHDA-WYMPLXKRSA-N 447.322 4.783 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N(CC)CCCC)ncnc2n1CCOC 1873589540 MSJQIJWPPKWBRD-UHFFFAOYSA-N 431.625 4.794 30 10 IJEE CCCCOc1ccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1OCC 1873723972 BAIJJHAHQFCQFH-UHFFFAOYSA-N 435.568 4.530 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)c(OC)c1 1874217199 ZUHSVPQBGPOSFE-FOKLQQMPSA-N 446.960 4.836 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1cccn1C 1874314062 AMJAONMKVGSHER-LGUFXXKBSA-N 445.592 4.627 30 10 IJEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccnc2)cc1 1874346087 VVIKMEXADLKESW-YZSQISJMSA-N 429.549 4.778 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccco2)cc1 1874377817 PVVNNFGGKMAJHT-AFUMVMLFSA-N 449.511 4.522 30 10 IJEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874407553 CZPRFWJTGDBQSV-ZVHZXABRSA-N 444.601 4.977 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1cccc(Cl)c1 1874414495 VPJBHDQSZKHBOC-SSDVNMTOSA-N 449.001 4.757 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 1874445440 FDGUUHFZPAALIJ-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1OC 1874506268 VHGGBSZJKNTFHW-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1c[nH]c2ccccc12 1874528855 FCMFZHVKCSONJQ-DHRITJCHSA-N 432.553 4.552 30 10 IJEE CCCNC(=O)COc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC 1874598425 LLWUEFAJIAYHBG-CSKARUKUSA-N 439.552 4.937 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 1874608370 KTUCLSOYJGVAHU-NTEUORMPSA-N 447.487 4.626 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)N(CC)CC 1874630815 WISQUSGUQZRXRR-ZRDIBKRKSA-N 439.552 4.854 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 1874694860 YEPKKJKWOWRSCT-PKNBQFBNSA-N 433.416 4.727 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(=O)Cc2ccccc2[N+](=O)[O-])c1 1874704504 SHCFGASEZAZZLL-VAWYXSNFSA-N 431.444 4.956 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3cnc(C)cn3)c2)cc1Cl 1874713816 OXTREMMICFBESK-BQYQJAHWSA-N 438.867 4.571 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(Cc3ccc(OCC)cc3)nnc2s1 1874781637 GMHBIJWQUFSRGS-UHFFFAOYSA-N 443.617 4.585 30 10 IJEE CCCCCCCCC(=O)NCCCc1nn2c(Cc3ccc(C)cc3)nnc2s1 1874797623 YSNXIZHHRZRSMD-UHFFFAOYSA-N 427.618 4.884 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc21 1890517978 MLAUEXBUHMGKIF-UHFFFAOYSA-N 432.442 4.824 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2c(OC)ccc3ccccc23)c1 1891686225 ONVAQMWABBNAOT-UHFFFAOYSA-N 444.575 4.826 30 10 IJEE COCC(C)(C)N(Cc1ccccc1)Cc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 1915625100 ISRIUEZAXSMCEW-UHFFFAOYSA-N 427.369 4.552 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 1922808855 BITXWZBHDDXQJR-BKMJKUGQSA-N 446.632 4.526 30 10 IJEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1945796214 YOGQAWINOXCNNM-VQIMIIECSA-N 433.549 4.880 30 10 IJEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc(OC)c(OC)c(OC)c3)c12 2053589415 HSCCFEUPEIMGGO-UHFFFAOYSA-N 431.492 4.705 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCCC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2060635226 JSVMDVRIHLSOCC-UHFFFAOYSA-N 438.418 4.593 30 10 IJEE C#CC[C@@H](C)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2076088230 NBVGUQWZKVGFPN-VWNXMTODSA-N 441.660 4.964 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2cccc(Br)c2C#N)C1 2106103157 BBXZNJYNUXUHFA-LBPRGKRZSA-N 430.293 4.625 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCCC 2159121709 XWNOYRDLUAQOTN-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 2159126332 UEXOTSNBBQJZBU-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Nc3ncc(Br)cc3C#N)C2)CC1 2162327083 GMOHPXIDOZNGGQ-MRXNPFEDSA-N 435.366 4.697 30 10 IJEE C#Cc1ccc(CNC(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2180044009 OWTZEBYYAXWMCL-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180964423 YCHXKTPZJZLKNW-NVXWUHKLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Oc1cc(Br)cnc1C#N 2198818922 BGGZSGDIULYCJS-CXAGYDPISA-N 436.350 4.568 30 10 IJEE C#C[C@@H](C1CCC1)N(C)C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2202417912 AHYYPRHTWPMKCI-SFHVURJKSA-N 435.362 4.978 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2ccccc2Br)cs1 2227487658 RQPCMKHWQGNENN-BLLLJJGKSA-N 437.359 4.576 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CC(C)(C)C1 2235724521 MTODZFPOPBOQIY-GOSISDBHSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@@H](O)C#Cc1ccccc1Br)C1CCCC1 2235729942 JRMUDUDMWOAIJP-OALUTQOASA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1[C@H](N)C#Cc1ccccc1Br 2235732402 RTXSZPPBIYKLNZ-RNQOJCNYSA-N 433.390 4.696 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2235749976 PVKDMKHEWVARKL-QXAKKESOSA-N 435.406 4.814 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Cl)c(Br)cc2C)C1 2266494125 GAZPNEGKABMWEY-UHFFFAOYSA-N 441.753 4.656 30 10 IJEE CC1(C)OB(c2cc(C(=O)NCc3cccc(OCc4ccccc4)c3)cs2)OC1(C)C 2267551892 PDLIVAOOQPXXJU-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@H](O)CC#CC1CCCC1 2289925519 VWEOYGMQTQBZDF-WOJBJXKFSA-N 436.390 4.830 30 10 IJEE CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccc(SC)cc2)C1=O 2294017431 OPNWTQYYOJYTFY-UHFFFAOYSA-N 442.518 4.860 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@@H](O)C#Cc2cccc(Br)c2)CC1 2296227131 MEZZEPUOBDFHJF-BJLQDIEVSA-N 436.390 4.883 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296294899 YOBHWUIWLABDCP-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CCc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 2296348676 KAQMBPBZAUZKEA-SPLOXXLWSA-N 446.528 4.655 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc(OC)c1OC 2296868105 VGPSBIYHUCLHAJ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2306365325 PMIBKJBWURGXHW-DNRQZRRGSA-N 428.573 4.555 30 10 IJEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2318574649 PEWASBOGRHUCJF-UHFFFAOYSA-N 425.514 4.636 30 10 IJEE Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2321860892 JVPFJZDCTSSAGD-UHFFFAOYSA-N 431.282 4.704 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C[C@H]3COc5ccccc5O3)CO4)C2=O)cc1 2322234571 ANZHXWXVQFZEFN-IBGZPJMESA-N 441.483 4.603 30 10 IJEE CC(C)(C)n1ncc(NN=Cc2ccc(OCc3ccc(F)cc3)cc2)c(Cl)c1=O 2322601363 JVBPZSAWEPBOJE-UHFFFAOYSA-N 428.895 4.816 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc5c(c4)OCO5)cc(C)c3C2=O)cc1 2322775748 YNMGPIZGDOVLHN-UHFFFAOYSA-N 444.439 4.958 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)c(Br)c1OCCO 2323053091 ZNESEZORHRALJB-UHFFFAOYSA-N 431.326 4.604 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCC(=O)NC1CCCCC1 2323503352 NTTKPZGXJYWBCU-UHFFFAOYSA-N 437.536 4.818 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OC 2323557590 FKNAQUNHBHQJEI-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE COc1c(Br)cc(C=NNc2nc(C)c(C)s2)c(OC)c1Br 2323840140 PGWQLBRZPXYYJN-UHFFFAOYSA-N 449.168 4.748 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2325027806 YEHTVXDTQSCYKC-UHFFFAOYSA-N 438.476 4.592 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325448910 JJXVNIBIRRAIGJ-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2325571844 DANGDQICSYOADO-UHFFFAOYSA-N 431.444 4.733 30 10 IJEE COc1ccc(OCc2nnc(SC)n2N=Cc2ccccc2OC)c(C(C)(C)C)c1 2325814867 NKEOXYLKDGHXIJ-UHFFFAOYSA-N 440.569 4.776 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2N=Cc2sccc2C)cc1 2327396166 VSJPBXDZMYNDBE-UHFFFAOYSA-N 430.599 4.536 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCCCO)cc1OC 2331346775 JSQXOTUYWDHAIC-UHFFFAOYSA-N 434.606 4.555 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CN(c2ccc(C#N)c(Br)c2F)CC1(C)C 2336371796 UNXMKLAVHJVVNB-AWEZNQCLSA-N 426.330 4.542 30 10 IJEE CC[C@H]1[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339579644 YXNYEVGGILTJPK-LQCDIEKVSA-N 444.381 4.893 30 10 IJEE CC[C@]1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339597819 UKYYODTZTGTUSA-DEOSSOPVSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)NCCC1CC(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339604905 WNXVUTNTJSLYEX-ZRDIBKRKSA-N 443.397 4.832 30 10 IJEE CC1(C)OB(c2cnc(NCc3sc(Cl)cc3Br)c(F)c2)OC1(C)C 2343920990 ZBYCNNBRMZUVTI-UHFFFAOYSA-N 447.566 4.609 30 10 IJEE Cc1ccc(C#N)cc1NCc1ccc(I)c(Br)c1 2349857664 CQKLAYWHQKOHRI-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2360197850 WQWQBVREOFVUGR-FRYIKTPZSA-N 433.390 4.567 30 10 IJEE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C)nc2C#N)cc1C 33959123 FIIWQUAAPSCDFA-VULFUBBASA-N 426.480 4.861 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccs3)oc12 34719227 ZHRTVFVLNJNUAO-HXUWFJFHSA-N 446.484 4.676 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)c1ccccc1C 34735890 HTAKWURAIQVJRL-UHFFFAOYSA-N 434.511 4.893 30 10 IJEE O=C(/C=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccco2)c1 40464920 XVLCBNKWYBRBLR-MDZDMXLPSA-N 428.404 4.726 30 10 IJEE COc1ccc2oc(=O)c(C(=O)Nc3sc(=S)c4c(c3C#N)CC[C@@H](C)C4)cc2c1 41018483 UPMBXFAFTGSSQI-LLVKDONJSA-N 438.530 4.841 30 10 IJEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(C)o2)n1 59020126 XMUZNRRUDKKBEH-CIAFOILYSA-N 444.586 4.775 30 10 IJEE CC/N=C1/S[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C1CCCCC1 100203728 XYTSGRASIQPJSI-UFIXSJTLSA-N 428.385 4.975 30 10 IJEE Cc1cc(Br)c(O)c(/C=N\CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 101645870 MISSAAPPMRTVHI-AFPJDJCSSA-N 446.223 4.921 30 10 IJEE CCCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 136507535 YWCXZWVTBYEIHS-ZHHPLPSFSA-N 431.488 4.999 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccc(F)cc2)cc1 170061947 DRXQCSRSFKWFMI-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1 170155587 UCAXQGQNRAEUKG-LJQANCHMSA-N 427.428 4.818 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccnc1 170196794 BWRIQOAWLKHTDZ-QHCPKHFHSA-N 430.504 4.628 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170199226 RKPOUEFJMCVSSK-HSZRJFAPSA-N 428.463 4.882 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(O)c(Cl)c1 170220282 KUJVGLLCSVPUDC-IBGZPJMESA-N 441.867 4.789 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccc(F)cc1 170243183 ORGAMDYSCRAGDT-FQEVSTJZSA-N 447.890 4.875 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)cc1OC 170251579 FNJXZNZRVCTMTP-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccco2)ccc1Cl 170287812 UUDYZSCFJUDHAS-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1c[nH]c2ccccc12)c1cccs1 170383681 BPADQZBNDSEGRN-OAQYLSRUSA-N 444.468 4.741 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC(C)=O)cc2)cc1 170407024 WFYGRDYATPHJLG-QFIPXVFZSA-N 431.444 4.550 30 10 IJEE O=C(Nc1cccc(N=Cc2cc([N+](=O)[O-])cc(Br)c2O)c1)c1ccco1 252616911 KIIVOKBHPXWYFC-UHFFFAOYSA-N 430.214 4.659 30 10 IJEE OCCN(N=CC1=C(c2ccccc2)Oc2ccccc2O1)C(=S)Nc1ccccc1 254741925 QXJUHCITQJFUJC-UHFFFAOYSA-N 431.517 4.504 30 10 IJEE Cn1nc(O)c2c(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc(C3CC3)nc21 437504111 TXRHXJNFYIFINP-UHFFFAOYSA-N 443.438 4.607 30 10 IJEE C=CCN(C(=O)c1cc(F)c(Br)cc1Cl)c1nc(C(=O)OCC)cs1 483381139 QNQTZKUGUCERTE-UHFFFAOYSA-N 447.713 4.708 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2O)c1 526743881 GIKOSELNAZFIBY-HSZRJFAPSA-N 429.472 4.964 30 10 IJEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1 526823883 ZBHKQLQRAGMKKW-PKAZHMFMSA-N 439.544 4.924 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccc(OC)cc3)C2)c1 586002033 MJEOQCZJCYPEKY-QFIPXVFZSA-N 435.568 4.567 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(Cl)n1 586213999 KBAJONQLOZULRU-UHFFFAOYSA-N 441.940 4.628 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(F)c(Br)c1 698372994 IVTKVFKTRJIXQI-KRWDZBQOSA-N 428.346 4.732 30 10 IJEE COc1c2c(cc3c1[C@H](CC(=O)/C=C\[C@H]1C(C)=CCCC1(C)C)[N+](C)(C)CC3)OCO2 725413482 NLHLDHDELFUZNZ-KFKZIDAKSA-N 426.577 4.995 30 10 IJEE CCOc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cc(Br)c1OC 731564600 MBACJEQESTUYMV-XQRVVYSFSA-N 446.219 4.872 30 10 IJEE COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)SCc2cc(Cl)ccc2OCC#N)c1 735317823 GFLXJXLXUZNXOG-HUUCEWRRSA-N 448.972 4.759 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 742214859 LURRZGJSLUFILI-LJQANCHMSA-N 425.941 4.714 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1=S 764961875 IKDVVPQALHHMRH-SIKLNZKXSA-N 436.581 4.599 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 1126520308 RXAOKQFIUMCUDL-CQSZACIVSA-N 441.450 4.659 30 10 IJEE C=CCC1(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)CCCC1 1128861755 BYZDVLXRMZOVHB-FGZHOGPDSA-N 426.601 4.965 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)CC2=O)cc1Cl 1136160454 GMAVHQIKKAQINU-OXQOHEQNSA-N 428.319 4.582 30 10 IJEE C=CC1(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCCC1 1147503574 AXJUKCYAWGUIQF-OAQYLSRUSA-N 429.605 4.961 30 10 IJEE C#CCN(C)CCCNc1nc(-c2ccc(OC(F)F)cc2)nc2sc(C)c(C)c12 1163412431 MCAUFRVYAUFKHK-UHFFFAOYSA-N 430.524 4.944 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccc(F)c(F)c2F)cc1OC 1178290808 NEBMLSNDCMERLK-UHFFFAOYSA-N 430.264 4.772 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1OC 1181120516 NIOBMDWOOSHYBV-UVTDQMKNSA-N 438.524 4.937 30 10 IJEE CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@H]1c1ccccc1 1187778271 FYJUJSWNNALGEU-HNAYVOBHSA-N 433.371 4.525 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@H]4[C@H](CCCN4C)C3)c2C#N)C1 1191520372 GNBKKRMDWNKXCV-OPYAIIAOSA-N 442.673 4.515 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1 1199059353 QGXCCJZQUGBQGI-DNQXCXABSA-N 433.552 4.621 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1)[C@H]1CCCc2ccccc21 1222683824 CFIXNUJMGPRABH-VGSWGCGISA-N 430.508 4.529 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)c1ccccc1 1230489171 LNWVRTTZWDISBW-ZEQKJWHPSA-N 426.516 4.735 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 1230770601 PUDWLPKOUCIQCC-UHFFFAOYSA-N 431.577 4.743 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1csc(CC)n1 1286277644 FVCBODPSXTXSSK-IEBWSBKVSA-N 437.613 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(OC)CCCCC1 1286282724 PLBHKTVSJTVHNQ-IBGZPJMESA-N 440.588 4.550 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)Cc1cccs1 1286303318 BWCYVTFUPYYUTA-MSOLQXFVSA-N 440.638 4.977 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCSCC(F)(F)F 1286304943 JWSOSEOWEUZQAR-OAHLLOKOSA-N 428.549 4.632 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 1286333810 BVHHVHLPPSQHRX-FQEVSTJZSA-N 427.593 4.700 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(OC(C)C)CC1 1286560872 JXKLMICCERGBJS-PGRDOPGGSA-N 445.007 4.974 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1 1286764178 IHJMJJFUVGMQLY-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 1294976642 LMBYZWCYOMAYRA-GOTSBHOMSA-N 436.552 4.598 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)Cc1cccs1 1300446140 GPSGTYKCNAHCSR-SFHVURJKSA-N 438.597 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCN1CC 1300602238 BGTYUJGPVPGBIC-INIZCTEOSA-N 428.005 4.757 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1noc2c1CCCC2 1300637402 CJWFJGHJCKQNNL-UHFFFAOYSA-N 447.583 4.664 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 1300737394 PTDJSVPVPOYFEA-BTYIYWSLSA-N 434.508 4.630 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 1300850215 XPDYKSRSGANXTG-UHFFFAOYSA-N 429.353 4.791 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1300876601 UMRCNTFQNAMMFL-WWNPGLIZSA-N 442.579 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nccn1C(F)F 1300899774 IJRJQPIAZLRDPA-OAHLLOKOSA-N 434.466 4.600 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H]1c1nncn1C 1301141602 PDWIFVFHZNACBB-SFHVURJKSA-N 425.968 4.671 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C 1301186080 QTSMLYZVAYWCEY-RTBURBONSA-N 434.588 4.827 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301234454 MEAJDSPCRXNKNC-OTWHNJEPSA-N 441.576 4.950 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1301317779 YWIOXNDCZCOSHE-CQSZACIVSA-N 449.958 4.806 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(Cl)nc1 1301375916 TUIYYFNIPUTYDB-UHFFFAOYSA-N 431.874 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(C)CCCO1 1301397069 LDXLHHOUZZMGTF-NRFANRHFSA-N 437.371 4.911 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1304746965 OTMLPPJZMOZJMR-PMERELPUSA-N 446.594 4.895 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)c1ccccc1 1304747023 QPJDQJQIXQLKAX-ONSXPEOJSA-N 435.571 4.582 30 10 IJEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1305284594 GEJYQASHAMRZCM-UHFFFAOYSA-N 439.604 4.949 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)Nc2cnn(Cc3cc(F)ccc3Cl)c2)c1 1310253346 HYCNMPZYZIEOCU-UHFFFAOYSA-N 435.793 4.841 30 10 IJEE COC(=O)c1cc(Br)cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1C 1310897928 CJZGDCNSYIAUMT-UHFFFAOYSA-N 444.329 4.858 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2cccs2)C1 1321809763 NYFNQDGMABYRFV-JOCHJYFZSA-N 430.577 4.913 30 10 IJEE Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccn(-c3cccc(C#N)c3)n2)s1 1351233840 CMBFREYZRKMRGJ-UHFFFAOYSA-N 426.545 4.999 30 10 IJEE CN(C)C1(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)Cc2ccccc2C1 1354274837 DPLJTKFSRZNUAJ-UHFFFAOYSA-N 445.950 4.833 30 10 IJEE Cc1ccc(Oc2ccc(OCC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)cc1 1357128550 GNMCEERRSKKGRG-UHFFFAOYSA-N 443.547 4.628 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2ccccc2S(=O)(=O)C(F)F)c1 1358007822 ZDACJUOBYDVIGS-UHFFFAOYSA-N 445.512 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)Oc1ccccc1 1358877760 KFDDPMXHAYSBNV-CABCVRRESA-N 445.386 4.695 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1358907643 WEJJJVLYVKIWEA-OAQYLSRUSA-N 430.581 4.769 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)Cc1cccc(Br)c1 1359055562 HTYWZMZZTDUUBU-UHFFFAOYSA-N 433.419 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ncc(CC)s1 1359108349 KOAUDDAXRRKIRU-UHFFFAOYSA-N 449.422 4.700 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1359119123 WBHNCFPLERQUFK-LSDHHAIUSA-N 439.423 4.985 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359188798 VEQROTVFVHDVHE-KRWDZBQOSA-N 446.542 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCCN(C(C)C)CC1 1359192181 YMNCPYAMSTZHJM-UHFFFAOYSA-N 439.648 4.942 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1359222771 RRAFFXGATTUBEY-LPHOPBHVSA-N 448.409 4.787 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC[C@@H](C)N1CCCCC1 1359263497 CULLNJBBJCPQIV-RTWAWAEBSA-N 443.661 4.691 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC=C(C)CC1)C(C)C 1359265077 XQSGQOCSCACIBK-JOCHJYFZSA-N 449.599 4.529 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1ccnc(N2CCCCC2)c1 1359269619 IZPLCBBJOHNXAN-UHFFFAOYSA-N 444.583 4.566 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2CC)cc(OC)c1OC 1434921507 VIJWONWBQZDPOB-UHFFFAOYSA-N 439.943 4.764 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 1445913510 WCRWGFYOSVMAHH-UHFFFAOYSA-N 426.398 4.851 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N(CCCO)Cc2cccc(Cl)c2)c1 1446330141 HWCQRRZOKSMNJB-UHFFFAOYSA-N 434.923 4.815 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)nc1C)c1ccc(Cl)cc1F 1449310428 BZDCTUAICHYXKS-IBGZPJMESA-N 446.707 4.840 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)nnc1-c1ccco1 1453021991 ZYPCPRMBKNINKQ-IBGZPJMESA-N 438.553 4.605 30 10 IJEE COC[C@@]1(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)OCCc2ccccc21 1460588609 FNWHVLCHSZIKLN-AREMUKBSSA-N 444.556 4.554 30 10 IJEE C=C[C@@](C)(CC)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1463970717 MWODOGNDKOQREC-XZGNNNQISA-N 427.353 4.748 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1465247708 CCHGPUWBWSDUKG-KRWDZBQOSA-N 428.577 4.992 30 10 IJEE CC(C)CCn1ncc(NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1C(C)C 1466446103 HUKPHNKCLKQNLA-UHFFFAOYSA-N 433.560 4.646 30 10 IJEE CC#CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1466461984 WNXCUVXDJJCPIU-UHFFFAOYSA-N 432.593 4.854 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 1467729646 FDBCLVCPIUCNNK-LJQANCHMSA-N 442.357 4.581 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)Cc1cc(Br)ccc1F 1469440835 DNEXLMWWUIFXAD-OAHLLOKOSA-N 430.321 4.789 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C)c1ccc(C(F)(F)F)cc1 1469492538 UTQCRFWNFLVMPA-SFTDATJTSA-N 445.485 4.904 30 10 IJEE C[C@H](COc1ccccc1F)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1476580503 FAQMCOFPSRIOOX-MRXNPFEDSA-N 435.503 4.770 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 1478284553 JVKADAKMGHEVNI-LGPLSSKUSA-N 433.596 4.694 30 10 IJEE C#C[C@H](NC(=O)NCCN(Cc1ccccc1)c1ccccn1)c1ccc(Cl)cc1F 1478899036 AFAGZXAORFQGLR-QFIPXVFZSA-N 436.918 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H]1CCO[C@@H](C)C1 1507523931 SPCWRYMCGSNEBN-VJANTYMQSA-N 426.630 4.795 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1C1CCCCC1 1507537273 TWRHQSZRSBOHHB-WMZHIEFXSA-N 440.035 4.777 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507557977 VBQIXJOIPPWGII-HSZRJFAPSA-N 442.611 4.647 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507577872 RXZUZEZKTDNPEB-UHFFFAOYSA-N 441.379 4.551 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)Oc1ccc(F)cc1 1507606841 ZBRNOSDUOKBNGF-KRWDZBQOSA-N 438.572 4.952 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@H]1CCO[C@H](C)C1 1507654999 XLMWKVTZKNVGOH-DHIUTWEWSA-N 448.611 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@@H]1C 1507664429 RLJACHMWKKFNGR-FXAWDEMLSA-N 439.401 4.915 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(C)C 1507798485 TZEAUABPZNLIBC-PBHICJAKSA-N 439.423 4.843 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1507825247 UGNPNZIXGBTIFH-UHFFFAOYSA-N 443.020 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H](CC)N1CCc2ccccc2C1 1507826639 WCJZDOMBDPDPNA-VWLOTQADSA-N 444.627 4.503 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1507827373 LMJOBJJVBDFNIH-SFHVURJKSA-N 429.565 4.506 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1507847762 JUOVZXMMDCEJBV-FQEVSTJZSA-N 428.552 4.748 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccncc2Cl)CC1 1507878706 AHARUNYFDFRHKZ-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccnc(OC(F)F)c2)CC1 1507881474 UTQDPPRQNMLQIV-UHFFFAOYSA-N 449.864 4.939 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCSC2)CC1 1507900102 FRSDYBVKDKLEKZ-GOSISDBHSA-N 428.602 4.508 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)C(C)C 1508010752 DLEOJULMOXPCKV-GOTSBHOMSA-N 444.023 4.516 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc2c(Br)cccc12 1521352464 BXJISNJTFHMFAK-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C#C[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(C)C 1525609941 NZNVWRKMVYPTOS-QFIPXVFZSA-N 436.939 4.617 30 10 IJEE Cc1c(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)nnn1-c1ccc(F)c(F)c1 1527037387 BQPUBDGZISVFDZ-MNOVXSKESA-N 427.480 4.725 30 10 IJEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)CCCC1 1531942634 MKOASQUZUVXURO-UHFFFAOYSA-N 427.010 4.625 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cccc(F)c3)s2)cc1 1534003270 QDPVAWLAOMFWQO-UHFFFAOYSA-N 430.526 4.613 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)OCC 1537003361 CBLBGYIYUXOQLX-GOSISDBHSA-N 428.510 4.682 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCCC1(C)C 1538985115 WJOVIBUOXWGDHN-XDHUDOTRSA-N 426.630 4.675 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@H]1C(C)C 1539005220 YAVRIYFYYYRHLH-LEDOBFOHSA-N 433.556 4.509 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](SC)C(C)(C)C 1539383577 GECGBLRAVDVKRX-ZWKOTPCHSA-N 449.665 4.587 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1539538142 DFWPHLJALIAZMM-GSRZOBFVSA-N 442.991 4.766 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1539603167 MSCZIYIPENJBIR-INIZCTEOSA-N 439.423 4.623 30 10 IJEE C=CC[C@@]1(C(=O)OCc2cccc(F)c2OC(F)F)CCCN1C(=O)OC(C)(C)C 1539727367 NRPBVMGINCPJHQ-NRFANRHFSA-N 429.435 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCOC(F)(F)F)CC1 1539831129 DFVUKALQIZJBMS-UHFFFAOYSA-N 431.462 4.885 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@H](C)C1 1540126899 AHELIOUCBVDOIB-HYBUGGRVSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N(C)C 1540143393 XGDFNHBVJJJIRI-GOSISDBHSA-N 434.613 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(C)(F)F)c1 1540171782 HZSXQTXHJYZXQN-UHFFFAOYSA-N 448.521 4.855 30 10 IJEE C=CCSCCn1c(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C 1540922114 DPMGAZBXQYPABQ-SFHVURJKSA-N 439.000 4.865 30 10 IJEE CC[C@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(CCOC)CCC1 1546626908 DLEVIYGOWCPABY-CTNGQTDRSA-N 437.588 4.560 30 10 IJEE C=CCOc1ccc(CN(C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C(C)(C)C)cc1 1559637948 HTTPSTJBGWEKIJ-QHCPKHFHSA-N 446.632 4.860 30 10 IJEE C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)cc2)C1 1562320211 FZOLTEXUCXTBPW-INIZCTEOSA-N 428.483 4.713 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1565208346 DGBIZAGIGRBRPE-IBGZPJMESA-N 439.556 4.949 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(Cc3cccc(Cl)c3)CC2)CC1 1568490214 ICFQHQXTZDBVMT-NRFANRHFSA-N 428.363 4.725 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1583129729 XEMBSIJBNSHQHE-SFHVURJKSA-N 436.386 4.838 30 10 IJEE C=CCCOCCNC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1584234339 HICBJLYEYSWGII-KRWDZBQOSA-N 431.360 4.610 30 10 IJEE C=C(C)[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)c1ccc(F)c(F)c1 1585439432 SBKYONIIHLJTDV-NRFANRHFSA-N 429.417 4.965 30 10 IJEE C=CCCC1(CNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CCCC1 1586149480 QMTULTVROZPLDU-UHFFFAOYSA-N 446.657 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CCC 1587562831 UGIPIJPHCUZKQE-PMVMPFDFSA-N 437.632 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1587563124 XVPQJFXSOLCQSO-NVNZTLJMSA-N 440.588 4.622 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC2(CCCCC2)C1 1589721669 ACJLSKUDFXRYKD-UHFFFAOYSA-N 436.423 4.868 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1593825958 GZIOJRFKIKDGJH-WBAXXEDZSA-N 446.979 4.738 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1593851735 COLMTKVJNABWCD-UHFFFAOYSA-N 446.979 4.502 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCSc2ccc(C)cc2)CC1 1594180898 GDJDARSDNBSELT-UHFFFAOYSA-N 441.645 4.700 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(N(C)C)CCC2)CC1 1594192453 IJKOEFFEGXVDAD-SFHVURJKSA-N 444.023 4.958 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1594544320 IIZDFQUWHZZQNT-URXFXBBRSA-N 435.616 4.600 30 10 IJEE C#CCN(C(=O)/C=C\c1ccccc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1596147569 WNRNNOWIWDSCOY-KHPPLWFESA-N 436.474 4.580 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCSC1 1611734514 HRMFSULBSYPWID-IEBWSBKVSA-N 443.592 4.830 30 10 IJEE CN1CCN(/N=C2\CC[C@@]3(C)[C@H]4CC[C@@]5(C)C(C6=CC(=O)OC6)=CC=C5[C@H]4CC[C@@H]3C2)CC1 1614467126 ODDWMTINKZQETM-CFIGFWSHSA-N 449.639 4.572 30 10 IJEE C=CCN1CCC(NC(=O)c2cn(-c3ccccc3C)nc2-c2ccc(CC)cc2)CC1 1616330670 JOUWLMGKROTGSW-UHFFFAOYSA-N 428.580 4.790 30 10 IJEE COc1cc(F)cc(Cn2c(-c3ccc(C)o3)nnc2N(CCC#N)CCC(C)C)c1 1619116915 HODJYFQSVVRNQZ-UHFFFAOYSA-N 425.508 4.809 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)cc1 1625682513 XKFOOAPDSCJNAY-NRFANRHFSA-N 443.588 4.721 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 1637332300 AFXXDGLHNIXPBM-SANMLTNESA-N 426.516 4.551 30 10 IJEE C=CCn1c(SCC(=O)N(CCC)CCC)nc2sc3c(c2c1=O)CCCCC3 1640569423 ZJZNSMLQBXPNSO-UHFFFAOYSA-N 433.643 4.654 30 10 IJEE C=CCn1c(SCc2cccnc2[N+](=O)[O-])nc2scc(-c3ccccc3)c2c1=O 1640693065 KGJKEYYRCTYKMY-UHFFFAOYSA-N 436.518 4.907 30 10 IJEE C=CCn1c(S[C@@H]2CCc3cc(Br)ccc3NC2=O)nnc1-c1ccco1 1640814126 UPXVQUITIPLRGR-MRXNPFEDSA-N 445.342 4.532 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3ncco3)cc2C)nnc1-c1ccco1 1641431635 IHJGMNXPTJDTIC-UHFFFAOYSA-N 435.509 4.808 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540606 VNMWNOQKTVDBEU-LBPRGKRZSA-N 444.578 4.749 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C/C(=O)OC)cc2)nnc1-c1cccs1 1651856124 BBYHXHRLSLENME-DHZHZOJOSA-N 427.551 4.550 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1ncc(C#N)cc1Br)Cc1ccccc1 1651899838 GELKJPVZNSAGEQ-QGZVFWFLSA-N 445.361 4.606 30 10 IJEE C#CCN(Cc1ccnn1-c1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1651992935 ZGNRSWDXMVPMQQ-QFIPXVFZSA-N 436.353 4.902 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CC(C)C)c2cccc(O)c2)n(Cc2ccc(F)cc2)c1C 1653482023 DBIFQHFPIIHXNA-UHFFFAOYSA-N 448.542 4.971 30 10 IJEE C=CCn1c(SCc2cc3c(cc2Cl)OCCO3)nc2cc(Cl)ccc2c1=O 1655986657 IKUJJJHBXGMCLA-UHFFFAOYSA-N 435.332 4.953 30 10 IJEE C=CCN(C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1)[C@H](C)COC 1659211977 MWLDKGXZGQEMNT-CYBMUJFWSA-N 437.327 4.696 30 10 IJEE CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)S(=O)(=O)CC(C)(C)C#N 1660225632 BOFDOJKLJWJDKX-UHFFFAOYSA-N 428.598 4.892 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)c1 1661305659 YTJRIAMRIWVGLM-UHFFFAOYSA-N 427.938 4.655 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC3(Cc4ccccc4)CCOCC3)cn2)cc1 1667194942 DBNZVQYWFWYLDM-UHFFFAOYSA-N 428.492 4.659 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(-c2ccccc2Cl)c1)c1ccc(Br)cc1 1667424855 FSELQMUCACKALQ-QGZVFWFLSA-N 429.705 4.784 30 10 IJEE CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 1671736121 GFWXLJRNBXAMAP-FQEVSTJZSA-N 445.336 4.761 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1672708202 GZODKRSTSPDQTI-HOTGVXAUSA-N 438.410 4.892 30 10 IJEE CC(C)(C)C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1 1674128441 HCFVFXNAIRLQHK-FGZHOGPDSA-N 436.531 4.669 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)C1 1674903467 DNZRPHYARMRAAO-GOSISDBHSA-N 426.538 4.540 30 10 IJEE CC(C)Cc1ccc([C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C2CC2)cc1 1678191545 GNWFQMLDLFPERM-CLJLJLNGSA-N 430.596 4.756 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1OC 1679248819 FAKJGDXEFKDRLI-IBGZPJMESA-N 443.341 4.516 30 10 IJEE C#CC[C@H](NC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 1680515954 WKIRWKWYINCTSW-INIZCTEOSA-N 427.879 4.910 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12)[C@@H]1CCCO1 1681592694 HVRIDBMKVCJFTC-AHWVRZQESA-N 428.532 4.741 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)NC[C@H](Cc3ccccc3)c3ccccn3)CC2)c1 1684804447 AAQQIIOYXNBIMS-QHCPKHFHSA-N 440.547 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H](c1cccs1)N1CCCC1 1689858418 LWJXKANWNYLKME-GMAHTHKFSA-N 447.652 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC(C)(C)C1 1690249105 TZXCRZJRSSRXKO-VGSWGCGISA-N 430.543 4.755 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)c1ccco1 1690308179 DVPVBNATHSVQRA-LJQANCHMSA-N 432.528 4.514 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1690462314 DDJOWZKRQWMEGV-UHFFFAOYSA-N 441.595 4.762 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC1(N2CCSCC2)CCCC1 1690599225 QFIZOGLTJMQHSV-UHFFFAOYSA-N 429.678 4.551 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](SC)C(C)(C)C)C1 1690695024 ZTIWCHCROHLMMB-PXNSSMCTSA-N 430.618 4.513 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](CCC)C1 1690735628 DICCDSZHAPMSKZ-IBGZPJMESA-N 437.613 4.726 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)ccn1 1696530285 DLQJEBGOFLYVNL-ZWKOTPCHSA-N 432.597 4.854 30 10 IJEE COC1(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCC(F)(F)F)CC2CC2)CCC1 1697220315 AKIPSJJYXIUCCX-UHFFFAOYSA-N 447.505 4.945 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(N(C)C)CCC1 1705483886 DWWYKFCBZGEASO-QGZVFWFLSA-N 437.588 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](CC(C)C)N(C)C 1705503529 XXTJQNCJEVPNMT-UNMCSNQZSA-N 439.648 4.589 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC=C(C)C1 1705695600 IYMBYRRXXZULKK-ICSRJNTNSA-N 443.389 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(C)CN(C)C1=O 1705712144 ZEWRAGWTCSAJEB-QFIPXVFZSA-N 444.004 4.694 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1705723543 ALZKNFLPBSXCMF-DEOSSOPVSA-N 428.577 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[C@@H]2CCOC2)CC1 1705765680 WUMMQYOKAGDQDE-QGZVFWFLSA-N 431.378 4.599 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCCOC(F)F)CC1 1705765714 XUZCHGXZBIQPAV-UHFFFAOYSA-N 444.482 4.903 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@](C)(O)[C@H](C)CC)CC1 1705776359 DWCHGYGSSLKSQF-YTZAWJCFSA-N 430.568 4.757 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705804401 ZMPHYUREMLXXRP-GOSISDBHSA-N 440.592 4.780 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1705806511 GGARHAKKFAAWBP-ZEQRLZLVSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1Cc1ccc(O)cc1 1705868413 MOCKHVUOLYGVOE-UHFFFAOYSA-N 437.594 4.642 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](OC)C(C)(C)C1 1705942129 IIAYVOPPQCIHAL-OXQOHEQNSA-N 446.686 4.912 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1707960769 GVRRXRHPLKMJNJ-AQNXPRMDSA-N 440.611 4.503 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1722284200 IGNIHMHZDSYQSK-FHWLQOOXSA-N 428.024 4.813 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1722328461 REBRXVVIXNAQLR-QFIPXVFZSA-N 433.644 4.968 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C)(COC)CC1 1722337531 CUMDBLVSIXKUQO-UHFFFAOYSA-N 438.616 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCN1CCC(C)CC1 1722474697 QEADMLANOJJIKM-HHHXNRCGSA-N 433.644 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC=C(COC)CC1 1722490671 BUBWYUXKPTYRKL-HJOGWXRNSA-N 436.600 4.584 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccco1 1722494758 NQNJAOLYKOYJKT-YLJYHZDGSA-N 444.482 4.757 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1722575732 UDLKXAHZHOUUPY-QHCPKHFHSA-N 425.621 4.723 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)SC)CC1 1722577605 LODMPJUXYQWORJ-KRWDZBQOSA-N 449.665 4.547 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722613496 YWUOQSZKZURAFQ-OAHLLOKOSA-N 435.277 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1CCN(CCC)CC1 1722663403 ZWEHCXHVONXOGT-UHFFFAOYSA-N 438.645 4.660 30 10 IJEE CCN(CC)Cc1ccccc1Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1728406617 GXUZAKIZMKQWSF-AREMUKBSSA-N 434.632 4.956 30 10 IJEE N#CCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CC(F)(F)C2)CC1 1731186694 FVXDHBXRAYXXOB-UHFFFAOYSA-N 437.441 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(OC)c(F)c1 1740603466 TXUQCDWIMMZGNN-INIZCTEOSA-N 438.572 4.591 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCC2(CCCCC2)O1 1740630944 GTBXYFYJZWTGRM-DNQXCXABSA-N 430.596 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)COCC 1740735135 VVVRIBUALNJVAX-HSZRJFAPSA-N 430.980 4.565 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCc2cc(F)cc(F)c2C1 1740747366 GRCPWAPPIZEBSF-UHFFFAOYSA-N 437.332 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN1CC 1740767035 OISGBQXUMCLNNC-QUCCMNQESA-N 432.012 4.958 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)cc2OC)CC1 1740840556 CMBAWWJJRKIBPM-UHFFFAOYSA-N 444.004 4.747 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccnc(OC2CCCC2)c1 1740903599 DZYRLPCLTKOTPG-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCC1(F)F 1740917410 RGUYHKHTWUKALX-HXUWFJFHSA-N 443.542 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C 1740931149 BLNPRIHJSUFAFU-OAQYLSRUSA-N 428.024 4.821 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2sccc2C)C1 1740978125 ORTUUZRBAVHUGF-QGZVFWFLSA-N 428.989 4.992 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C/C=C/c2ccccc2)C1 1740986356 YUTZGRFTVDWVIA-OSDRSJMTSA-N 436.600 4.691 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1748674657 VEMVWGCXWVLSOR-KPLVRAHFSA-N 429.008 4.822 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1748738406 BHEPBTJHFQLIMS-UHFFFAOYSA-N 441.988 4.774 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)c1ccccn1 1748913887 APQXRRVLKHDKCY-UHFFFAOYSA-N 438.373 4.540 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749027738 UBICSBYRLWXPLB-OAHLLOKOSA-N 428.911 4.744 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@H](C)C1 1749112207 DQKRHYXLBSBACN-ZIAGYGMSSA-N 437.407 4.580 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 1749137256 XEMOECNWLZOCPF-PGRDOPGGSA-N 447.410 4.944 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](c3ccc(Cl)cc3)C2)nnc1C(C)(C)C 1749139972 KGRBJWVOWAELGT-GIVPXCGWSA-N 445.007 4.788 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCCN(C(C)C)CC1 1749182753 BKSJSDQLYCYWKF-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN(CC)CC)C1 1749251638 HNWLNLADHTYEDE-NHCUHLMSSA-N 446.039 4.956 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCSC2(C)C)CC1 1749285831 ZHQBDYDOADQQFE-IBGZPJMESA-N 439.629 4.835 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)COCC)CC1 1749331149 VSRJEVRFKLEJMN-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@H]1C 1749465062 MACVQHVCTOZIQL-MOPGFXCFSA-N 432.012 4.795 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1Cc1cn2ccc(C)cc2n1 1749528135 DTMVJUNZDZJYKK-UHFFFAOYSA-N 430.556 4.607 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1749557285 HFDUXUIMRDJRIK-KAOXLYBCSA-N 429.653 4.701 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC1(OC)CCC(C)CC1 1749590667 CUXXFONKNYGLLJ-YAQMXYOYSA-N 442.604 4.943 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(C)C)cs1 1749592341 IHQGEYAQJTVAHI-UHFFFAOYSA-N 431.993 4.866 30 10 IJEE C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N)Oc1cccc(F)c1 1751201659 DANYHZXQCATDEJ-DEPWHIHDSA-N 443.567 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C(C)C)N1CCCC1 1760103223 BACIITDOJKLDAE-CTNGQTDRSA-N 439.673 4.854 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC(C)(C)COC 1760198588 LMGMFJDUPJVVHD-UHFFFAOYSA-N 433.383 4.778 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C)CCC1 1760213757 PCTKPHVPDWAZMD-UHFFFAOYSA-N 425.374 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1760291309 JVRHGEODCAQHTL-YIXXDRMTSA-N 433.644 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@H]2CCOC2)CC1 1760399053 XEKPJANYQRAQQQ-HNNXBMFYSA-N 437.407 4.598 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1760425410 LNAWCASISPZUCS-QFIPXVFZSA-N 443.636 4.541 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760441989 BMTMNSPFHTTWFP-QHCPKHFHSA-N 437.632 4.752 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1Cc1cc(C)no1 1760488337 SEFBYENSOPFUTN-UHFFFAOYSA-N 439.516 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)C1 1760547893 UEQSIVZGQFBZQU-RTBURBONSA-N 447.004 4.698 30 10 IJEE C=CCSCCn1c(N2C[C@@H](C)O[C@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1760568422 IMWJHMLIHNLCRT-TZIWHRDSSA-N 426.630 4.671 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(F)cc2)cc1 1859399284 NCRWUCIFKUMCAX-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861162333 FPZSXZWMDGRZGJ-DEOSSOPVSA-N 447.639 4.799 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCN(C)C)c1 1862379374 AGRXLRBGFBGCCR-HXUWFJFHSA-N 447.362 4.832 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2cccc(F)c2)cc1 1862391336 YHKLOGILZXTRIP-HSZRJFAPSA-N 447.510 4.712 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(OCCC)c1 1862462059 TUWZVLIIWCXORX-HXUWFJFHSA-N 431.410 4.657 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862521613 MICRXYUBSMJVNW-XMMPIXPASA-N 446.547 4.622 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCC4(CC3)OCCO4)[C@H]2c2ccccc2)cc1 1862534068 PUKWWIKBXLXDHO-QHCPKHFHSA-N 447.531 4.513 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862591901 QMOPRSHTZBNMGJ-QHCPKHFHSA-N 433.504 4.870 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2Cl)cc1 1862618781 YDYHGASEWYMCPP-HXUWFJFHSA-N 427.928 4.598 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1CCc1ccccc1 1862625215 AXVDWIAWYPDMPL-XMMPIXPASA-N 441.483 4.545 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(F)c3)[C@@H]2c2ccccc2)cc1 1862636429 HHBJHRBNRHWUFH-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 1862650289 RXZGLWOCNWLVRD-QHCPKHFHSA-N 433.479 4.720 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862703830 MKKOBCKLHOAZIF-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE CCCOc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862776290 HMHNQZBFEWOCAV-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1C 1862880909 QOJCARMDAOCXMI-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1 1863452871 XFFHQUIYEOSKMV-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCCCO)C1=O 1863620861 YUQNBQJHZRHZOH-UHFFFAOYSA-N 428.617 4.968 30 10 IJEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCCCN(C)C)C1=O 1863804140 YVMHOABAOCOMCX-UHFFFAOYSA-N 433.662 4.900 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1c(F)cccc1Cl 1864191490 MXGLXIATUAIHCM-IBGZPJMESA-N 448.970 4.692 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1cccc2ccccc12 1865140896 ZUPUWILSFGTPJG-QFIPXVFZSA-N 442.563 4.514 30 10 IJEE CC(C)C[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Br)c1 1867198902 TWGTWDXYSNVQCA-KXBFYZLASA-N 442.357 4.594 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)/C=C/c1ccco1 1870162357 QNTQMGXKZBVWCJ-VAWYXSNFSA-N 445.866 4.616 30 10 IJEE N#Cc1ccc(COc2cn(CCCCCO)c(CSCc3ccccc3)cc2=O)cc1 1870232864 NAJKATUUNGSTGK-UHFFFAOYSA-N 448.588 4.895 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1ccccc1C(C)C 1871195418 PEQOFADMHZBZAE-UHFFFAOYSA-N 431.536 4.787 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCO)cc1F 1871253663 FUQHPLOGQBRMBT-UHFFFAOYSA-N 449.526 4.521 30 10 IJEE Cc1cc(O)c(CN2CCC(O)CC2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871393762 IOEXEGZWCOQERU-GRSHGNNSSA-N 434.319 4.580 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872085993 IETRUDAACKNJDB-JTSKRJEESA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872269155 FOKXAWRTWQIIHO-LJQANCHMSA-N 438.952 4.690 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1872282802 VAIBGUKRLSGDNC-BEFAXECRSA-N 432.989 4.840 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872370341 FINSLXGZRUZXBL-OAQYLSRUSA-N 436.524 4.647 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873317259 VBVCCHOCMGRWNF-HNNXBMFYSA-N 429.426 4.790 30 10 IJEE COC(=O)c1nc(-c2ccc(C)cc2)oc1N/N=C/c1ccc(OC)c(Br)c1 1873462281 XCTCPODKCBDMLB-SSDVNMTOSA-N 444.285 4.654 30 10 IJEE Cc1sc(C2=C(N)N(c3cccc(Br)c3)CC2=O)nc1-c1ccc(F)cc1 1873529288 AQWJIXFVLMDDII-UHFFFAOYSA-N 444.329 4.737 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616657 ATZSVRDDAHFDBZ-UHFFFAOYSA-N 441.535 4.841 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc[nH]1 1874289302 XRCCRFMAOTVDPR-DHRITJCHSA-N 437.500 4.507 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874317621 CLEAVRNAVDQQRZ-CJLVFECKSA-N 425.514 4.582 30 10 IJEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1O 1874389802 GHIRAMBTCVMWMB-LPYMAVHISA-N 443.370 4.806 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)cc1OC 1874443979 PRJFZHZFVBSKHD-LSCMLXDISA-N 438.553 4.630 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C2CCCC2)cc1 1874452757 LMEPFTOFYFOVRG-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)o1 1874466734 YQXVKYRFPBAOKR-FSJBWODESA-N 440.456 4.621 30 10 IJEE COCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874499943 DFXJEXVASWQPGG-ZMOGYAJESA-N 440.569 4.703 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1c[nH]c2ccccc12 1874503569 OJWOAPCNVPCMNY-AFUMVMLFSA-N 432.553 4.633 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2/N=C/c2ccc(Cl)cc2Cl)o1 1874537211 SNFVCVZYJYKVMX-ODCIPOBUSA-N 425.297 4.529 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc(F)cc1 1874620771 RYECSMKAYTWCPC-QDEBKDIKSA-N 433.435 4.511 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccccc2OC)c(OC)c1 1875118934 WMMTXKXTWNSCNV-BUHFOSPRSA-N 448.471 4.836 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccccn1 1875147271 PXJNEYNMYILEFZ-DHZHZOJOSA-N 433.460 4.613 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1F 1875153049 YYLCKZFXZYGLRT-XYOKQWHBSA-N 435.407 4.787 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cc(Br)cc(Br)c1 1916313949 ARPDGGFLISQPTL-UHFFFAOYSA-N 437.957 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1922083696 RLEGVNLSGGXGOR-ATIYNZHBSA-N 446.632 4.668 30 10 IJEE Cc1cc([C@]2(C(=O)O)C[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 1952773288 UZIOEIIGCGBMGY-SHQCIBLASA-N 438.483 4.500 30 10 IJEE C=CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1I 1969553870 UYODBGDYCRHCGM-HZMBPMFUSA-N 434.115 4.528 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)C1(C#N)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 2048814613 BFUOHQKEUJRDKU-FGZHOGPDSA-N 439.600 4.597 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)CCCc3ccc(Br)s3)C2)OC1(C)C 2154439465 INHQNSMAHMEHDC-CQSZACIVSA-N 442.228 4.918 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 2159124630 IXFJHBKOHRHIHI-ZWKOTPCHSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2c2cc(Br)cc(F)c2C#N)C1 2174770500 XJLMCYYMWMQANI-DYVFJYSZSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(c3cc(Br)cc(F)c3C#N)C2)C1 2174807746 FYMACUZHLRXZFA-HXUWFJFHSA-N 438.341 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)C[C@H]1CC(F)F 2177296931 FDBXLGZVFXRQGO-GFCCVEGCSA-N 448.283 4.541 30 10 IJEE CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(C#N)c(Br)c1 2181051886 AZRIZDYMMGKMGN-AWEZNQCLSA-N 438.366 4.980 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(Br)nn(C)c2C)c1 2188136710 DXKMIJVKSCAPNC-HNNXBMFYSA-N 435.322 4.506 30 10 IJEE C[C@H]1[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](C)CCN1C(=O)OC(C)(C)C 2200693447 NBLVYGBKEKTDJZ-IIYDPXPESA-N 436.350 4.541 30 10 IJEE CCN[C@H](C#CC(C)(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2218408636 NTEMEMCCNKQESL-HSZRJFAPSA-N 441.660 4.964 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@@H](O)C#Cc2ccccc2Br)s1 2227485985 OEZGMIZHVHCIGJ-AWEZNQCLSA-N 437.359 4.598 30 10 IJEE N#C[C@H](CNc1ccc(Br)cc1I)c1ccccc1 2231675359 VQZCKCLWOODWMT-GFCCVEGCSA-N 427.083 4.773 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C1CC(N(C)C(=O)OC(C)(C)C)C1 2235729315 IVDVQBQDGKVXMW-QLOJAFMTSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2244325395 VFZFOXVKTJPATK-MFKICJERSA-N 433.574 4.634 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2261828420 LDWRZDKLSBZFAM-NLFFAJNJSA-N 447.572 4.704 30 10 IJEE CC1(C)OB(c2c(F)cccc2C(=O)N(Cc2ccccc2)CC2CCCC2)OC1(C)C 2267407167 OMCTXFBZEFMIBV-UHFFFAOYSA-N 437.364 4.958 30 10 IJEE C=CCCC1(C(=O)Nc2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2281051318 SOFOKMFQCIJSIA-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O 2293128234 GNHINPINJOCSLH-UHFFFAOYSA-N 430.869 4.792 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(O)(C#Cc1cccc(Br)c1)CC2 2296225816 ZEAZJYBFMQZXJC-PPNDLDFTSA-N 434.374 4.637 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@@H](N)C#Cc2cccc(Br)c2)C1 2296274271 SYVUQSPFDQDDDI-JLMWRMLUSA-N 433.390 4.555 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2296288569 IQQXPMVPEPVYPH-RBUKOAKNSA-N 435.406 4.957 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2296302687 MRAIQANMFQIOFO-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@@H](N)C#Cc1ccc(Br)cc1 2296302773 NUZRELADRLFMGE-UGKGYDQZSA-N 429.358 4.568 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2296303606 YBZKUBQDULGVGA-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(N)C#Cc1ccc(Br)cc1 2296310137 FQMQJEDHSNBULL-XMSQKQJNSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2317358599 PBHYAMBDATYRND-GZKZCVOOSA-N 430.354 4.503 30 10 IJEE C=CCC1(NC[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2321245676 WKORPAWPRDQRRJ-IBGZPJMESA-N 449.636 4.711 30 10 IJEE COc1c(Br)cc(C=NNc2ccc(C)cc2)c(OC)c1Br 2322930390 VVYDJTKSJNSXOT-UHFFFAOYSA-N 428.124 4.983 30 10 IJEE COC(=O)COc1c(OC)ccc(C=CC(=O)c2ccc(Cl)cc2)c1Br 2323126509 DYYVUJWXHYGFIP-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE CCn1cc(C=C2Oc3cc(OC(=O)c4cnccn4)cc(C)c3C2=O)c2ccccc21 2323202188 PLLQOOKGCARLCU-UHFFFAOYSA-N 425.444 4.595 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1Br 2326725987 RWTSNYGSLRMSRE-UHFFFAOYSA-N 435.322 4.671 30 10 IJEE CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2327139275 MLHLDVMYLYGICB-UHFFFAOYSA-N 445.932 4.764 30 10 IJEE O=C(N[C@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1cccc(Cl)c1 2328096397 WUVBJVHGMOMMRW-PKOBYXMFSA-N 437.754 4.780 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1cccs1 2331019713 OOMJDFLPPXGFGM-UHFFFAOYSA-N 439.445 4.789 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1cccs1)Nc1ccccc1F 2331021322 LTWDZNOVJUOTPD-UHFFFAOYSA-N 429.546 4.749 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)COc1ccccc1 2331174394 GJQFFEKYZNDGAA-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CC#CCN(C[C@H](NCCC)c1cccc(Br)c1F)C(=O)OC(C)(C)C 2337915594 LCVOFAFIQBYRHK-KRWDZBQOSA-N 427.358 4.889 30 10 IJEE CC#CCN(C[C@H](NCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2337917658 DGWPOLHZCYVWPX-INIZCTEOSA-N 431.321 4.638 30 10 IJEE CC[C@H]1[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339540897 CZUPYPUHHUHLMQ-MOPGFXCFSA-N 443.397 4.926 30 10 IJEE CN(C(=O)OC(C)(C)C)C1CC(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339598971 APNBGYRCGJOMIG-UHFFFAOYSA-N 444.381 4.751 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(OCC)cc1 15850186 SHLZPPIHCUJLQY-OAHLLOKOSA-N 442.972 4.769 30 10 IJEE Cc1ccccc1N/C(S)=C(/C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 22695752 CDNFIERYGGUFRZ-UHFFFAOYSA-O 426.512 4.678 30 10 IJEE Cc1c(/C(O)=N/c2nc(CN3CCOCC3)cs2)sc2nc(C(F)(F)F)ccc12 28932995 KRZIWHHIYRXAIS-UHFFFAOYSA-N 442.488 4.549 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2cccc(CC)c2)c(C)n1 32972931 OWOMREMEKUHSAU-UHFFFAOYSA-N 446.599 4.628 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)c1 41355787 SIWSJEIYQQQDSE-UCQKPKSFSA-N 430.456 4.777 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)c(OC)c1 41514533 KGXRTPBBVVOJFP-CFRMEGHHSA-N 445.515 4.966 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc(F)c1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 41587699 KGKQBGGLMGQFSW-NYAPKIOYSA-N 445.446 4.831 30 10 IJEE COc1ccc(C(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)cc1 59014466 BECHOIBGSRYCNI-ZVBGSRNCSA-N 436.324 4.541 30 10 IJEE COc1cccc(NC(=O)CSc2n[nH]c(N/N=C(/C)c3ccc4ccccc4c3)n2)c1 59022068 IQQAGMBIGRQZNV-YSMPRRRNSA-N 446.536 4.533 30 10 IJEE CCC(CC)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1cccc(OC)c1 105817445 LMHXWKAWPFYCDH-XMVGPFMNSA-N 425.554 4.844 30 10 IJEE CCCOc1c(Br)cc(/C=N\NC(=S)NC2CCCCC2)cc1OCC 169941004 BDUCEDLKGNWCHH-BKUYFWCQSA-N 442.423 4.767 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1CCCOC(C)C 169948443 YWBSEQQSITZOQE-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccn2)c1 169997998 GGQVCVBNXURLJM-NRFANRHFSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccncc1)c1ccc(F)cc1 170018335 HAOUXZKRLYKSHX-LJQANCHMSA-N 426.806 4.796 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)c1 170051614 BMBSTNNFMBIGAY-JOCHJYFZSA-N 445.446 4.704 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C 170130037 OQKMYAMVLVLUAC-QHCPKHFHSA-N 434.536 4.591 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3ccc(O)cc3)ccc2O1 170135747 FVTDKICZYJRFIL-CMJOXMDJSA-N 433.504 4.627 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140467 OYKGXOUYQRRDRY-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170201699 CLKQOEPKTGVDKR-NRFANRHFSA-N 446.846 4.970 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)ccc1Cl 170230587 BQKVDLNTNVJFBD-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170256971 LCCAKIUIPJRERN-QFIPXVFZSA-N 447.512 4.557 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)ccc1Cl 170291988 RNLSXQMLQHHBBO-LJQANCHMSA-N 427.840 4.703 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)c1 170314820 QNROAKDFGOKDBS-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)cc1OC 170317471 VYUFFUMTDYXNKQ-HXUWFJFHSA-N 441.549 4.985 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1 170438073 NGNVJOFIDKALKU-QHCPKHFHSA-N 431.488 4.979 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170452995 WBSMHADHIUPZDY-QHCPKHFHSA-N 446.503 4.917 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC(C)C)cc1 170472994 QJTIQFJOHVRCDC-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCC 406599749 VQFSWELRMQSMOA-ROUUACIJSA-N 429.374 4.968 30 10 IJEE CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1 441673030 GXERTUOJTRKRLM-UHFFFAOYSA-N 441.553 4.724 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(C)C)C2)c1 446344849 UUIDDIJOLBDQAG-IBGZPJMESA-N 447.000 4.839 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 503056017 GLJAVLMUKDNDGG-HJPURHCSSA-N 425.554 4.616 30 10 IJEE C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1Cl 504070383 KSROOXMWWSGFOL-NPMXOYFQSA-N 447.963 4.555 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 505649907 TWVUMNNHZLLFGV-QHCPKHFHSA-N 433.939 4.892 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 508846785 HZLPYGFOSRUQNC-AWEZNQCLSA-N 447.406 4.679 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508997975 SHUBIZMRGJPNHK-SFHVURJKSA-N 436.466 4.534 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1OC 513238669 OWCDPCOLJGRTGY-SFHVURJKSA-N 430.504 4.515 30 10 IJEE CCCc1ccc(-c2ccc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)cc1 522780302 BNTRMESVBYGVFW-UHFFFAOYSA-N 425.536 4.927 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])o2)cc1 526484173 BKORCDAYWMXZKS-NRFANRHFSA-N 431.404 4.515 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 555263293 IMVDKHXVRLBSSP-UHFFFAOYSA-N 434.588 4.650 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 558995783 NHPCNKJRUWMOPN-SFHVURJKSA-N 431.378 4.537 30 10 IJEE C=CCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(Br)cc1 586209029 YYFYKHBWOQGQGE-UHFFFAOYSA-N 440.359 4.628 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)Cc3c(Cl)cccc3Cl)c2C#N)C1 586301995 WLOLXKZBNDKBQT-LUGWNYHVSA-N 441.405 4.939 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 618732612 XHPYLDSWXORQKD-HXUWFJFHSA-N 447.564 4.811 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 619817005 LADOKWHAZADUKC-LLVKDONJSA-N 448.426 4.550 30 10 IJEE CCCC/C(=N\[C@@H]1C(=N)[C@@H](CC(=O)Nc2ccc(OC)cc2)SC1=O)c1ccccc1 725391604 PQYPKVPSSZYPIC-UOASTRPJSA-N 437.565 4.734 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1=S 760407843 MNTWRDVIIUWJSB-FQEVSTJZSA-N 442.629 4.592 30 10 IJEE CCc1cc[n+](/C(C(=S)N[C@H]2CCc3ccccc3C2)=C(/O)c2ccc(C#N)cc2)cc1 762438402 GIEGXEQXXIEJCQ-DEOSSOPVSA-O 440.592 4.766 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@H](c3ccccc3)OC[C@H]2C)c1=S 764963499 NOAAHROPSDZZSJ-XMSQKQJNSA-N 436.581 4.695 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)no1 904705672 LPOPFUFNULRRSS-KBPBESRZSA-N 442.944 4.850 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1cccs1 1084330527 QJUSSWLLYURLDH-UHFFFAOYSA-N 441.369 4.740 30 10 IJEE N#Cc1cccc([C@H]2CN(c3nnc(C4CCCCC4)n3Cc3ccccc3)CCO2)c1 1122015079 IYPWNDASQDSFTL-XMMPIXPASA-N 427.552 4.824 30 10 IJEE C=C(C)[C@H](CC(=O)N(Cc1ccc(F)cc1)c1nc(C)c(C(=O)OCC)s1)OCC 1124450530 DYCCHWCQTHYKHJ-SFHVURJKSA-N 434.533 4.672 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 1124880149 DLAAOQUNMITPPF-UHFFFAOYSA-N 440.609 4.552 30 10 IJEE C=CCN(C(=O)c1cc(C)sc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1128005710 XYVQRFWEIJXZCC-KRWDZBQOSA-N 436.371 4.622 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1128072598 TWEBRZYEAFJCQQ-PUHATCMVSA-N 444.616 4.732 30 10 IJEE CN(CCN(C)C1CCCCC1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1136608469 BPNZNBDKUQRZJE-UHFFFAOYSA-N 431.024 4.541 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 1138104351 TVXWCMMZPCGDQA-QHAWAJNXSA-N 434.552 4.754 30 10 IJEE C=CC[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)OCC 1138146369 LAEFPSPLUDPVFW-INIZCTEOSA-N 434.901 4.637 30 10 IJEE C=CC1(CC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CN(C(=O)OC(C)(C)C)C1 1142597377 OWUPHGLCNXITCM-UHFFFAOYSA-N 448.563 4.718 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(OCC)c(OCC)c1)c1ccccc1 1143126878 OUVAMYDENLFAOS-HSZRJFAPSA-N 427.500 4.819 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2)n1C 1148499419 HJHGNWBXDLPGSN-UHFFFAOYSA-N 427.273 4.858 30 10 IJEE Cc1ccc([C@@](O)(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)C(F)(F)F)o1 1162667787 HRLZAFRZPWJTNG-SGTLLEGYSA-N 448.363 4.688 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@H](C)C3)C(=O)OC 1165421141 DHLMUKQOCUCKTQ-LRDDRELGSA-N 444.553 4.531 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1ccnc(-c2ccc(OC)cc2)n1 1185875130 TYAIBVHVJPQXEO-UHFFFAOYSA-N 445.548 4.968 30 10 IJEE C=CCn1c(SCCCNC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CCCC3 1188253309 YXAPUSQLZCJCLJ-UHFFFAOYSA-N 435.615 4.530 30 10 IJEE C#C[C@H]1COCCN1C(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(OCC)cc1 1196995344 VAKLHZSWSCAEQZ-INIZCTEOSA-N 434.414 4.762 30 10 IJEE C#CCN(Cc1cc(Cl)ccc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 1197769970 PXWBRHDSCLROEL-UHFFFAOYSA-N 441.797 4.937 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC)c1ccc(F)cc1 1204430185 MXERVNLTCWPKST-SFHVURJKSA-N 442.441 4.747 30 10 IJEE C=C(C)CCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1214434429 GZVAECCAMNOSBV-UHFFFAOYSA-N 443.569 4.741 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(-n2ccc(C(=O)OCC)n2)c(F)c1 1219764501 UYZXUMJTDXCROE-UHFFFAOYSA-N 436.487 4.798 30 10 IJEE C=CCCC1(CNC(=O)NCCC(=O)Nc2cc(Br)ccc2C)CCCC1 1221707375 YHZHYOYRPYUBFB-UHFFFAOYSA-N 436.394 4.912 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)CC1 1227385551 FEULGFPFIFDVOC-UHFFFAOYSA-N 443.378 4.819 30 10 IJEE C#CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 1254738595 RSTKRPNGTXXSAG-IBGZPJMESA-N 442.313 4.580 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1286273995 KDRBQEWJJGNJEF-XERREHJYSA-N 431.378 4.513 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1286327342 IZTJBNIYYJWXOF-WIYYLYMNSA-N 435.374 4.832 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286600955 HRONAQVOCSTKQW-WOJBJXKFSA-N 425.621 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1286666430 DKYRXEVCRCGEDP-UHFFFAOYSA-N 433.604 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)CCc2cnccn2)nnc1C1(c2ccccc2)CCC1 1286676734 PIJQUOSSKHCTPL-UHFFFAOYSA-N 430.600 4.819 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@@H](C)C1 1286682320 KILHPTDFLIFAFR-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1286682995 ZGBKOSZHNHNMMZ-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCCC1(C)C 1286753055 SDDINTMZCGKOKG-QFIPXVFZSA-N 445.405 4.827 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CCOC)CCCC2)C1 1286803773 GHCNODIDOKWOKO-IBGZPJMESA-N 445.007 4.977 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CCCS2)c1 1289327982 GJSKOCRHPRERQR-DEOSSOPVSA-N 439.629 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCOC1CCCC1 1300280344 BMVGGUMWXWOFRX-AWEZNQCLSA-N 437.407 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](OC)C(F)(F)F 1300281409 CMKHBLMVYJCKBN-KSSFIOAISA-N 440.535 4.701 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)[C@@H](C)CC 1300281723 LHAAESQDRNQYPE-QOKNQOGYSA-N 433.394 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCCC1(C)C 1300284650 UPONCBYVXKSHAK-WOGXIUBCSA-N 426.630 4.531 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)Cc1csc(Br)c1 1300416936 MCNJOKRZNKCQFN-UHFFFAOYSA-N 435.416 4.804 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)[C@H](C)CC 1300603350 PMWMWRSFZRSXDI-GOSISDBHSA-N 436.629 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1300876024 RCPPPVJUVRSWLE-BAPGRXHISA-N 427.420 4.793 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC(C)(C)OC)CC1 1301075179 WJZMLEMLNGPXIE-UHFFFAOYSA-N 428.577 4.714 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1301174429 RGKCCPXESVGDIY-YADARESESA-N 428.552 4.920 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCC(C)(C)C1 1301372128 IVUHZQHMJFFNBI-UHFFFAOYSA-N 445.615 4.636 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)SC)C1 1301541944 GXYSXYBOSYSGIU-HXUWFJFHSA-N 425.602 4.520 30 10 IJEE Cc1sc(NC(=O)CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)c(C#N)c1C 1307566371 GDBOMPJYZGYDEW-UHFFFAOYSA-N 437.496 4.750 30 10 IJEE C[C@@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1309158625 FXCDQIFZUGGXOC-NSHDSACASA-N 436.377 4.505 30 10 IJEE CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)S(=O)(=O)c1cncc(C#N)c1 1309185826 HXOVMCRVEGXORY-UHFFFAOYSA-N 449.576 4.668 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(F)c(F)c1 1310063653 MXKYILQMIVQOBT-HXUWFJFHSA-N 444.507 4.850 30 10 IJEE Cc1cccc(NC(=O)Nc2cccc(CNC(=O)NCc3ccc(C#N)c(F)c3)c2)c1 1311625048 HLANWQDFDIRTAN-UHFFFAOYSA-N 431.471 4.649 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H]2CCc3ccccc3C2)c(C(=O)OCC)c1C 1352312852 XZIYBMRBRZHJSA-MRXNPFEDSA-N 441.549 4.710 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1354035608 DGCZWLGLNHYWMA-SPLOXXLWSA-N 425.356 4.964 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(c3c(F)cccc3F)CCCC2)CCCN1C(=O)OC(C)(C)C 1358361671 FOEFAWDOBXVYNA-VWLOTQADSA-N 446.538 4.686 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1C1CCC1 1358906968 ZBCILOYLFRCFSW-FQEVSTJZSA-N 438.572 4.543 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1CC 1358912088 IXFUDIXBNNQWHT-HXUWFJFHSA-N 429.609 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc2c(n1)CCCC2 1358942714 GQMGPRLNFHYGIN-UHFFFAOYSA-N 426.351 4.643 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC=CO1 1359000109 LZNHGPBEDVFXQO-AZUAARDMSA-N 428.964 4.841 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1359085934 DUHJLRJQVIZTEY-IBGZPJMESA-N 431.378 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@@H](C(C)C)C1 1359094760 FLYHSCVRBXGCKT-NSHGMRRFSA-N 448.036 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1C(F)(F)C12CCC2 1359116758 XQMFGXZMETXPIL-LJQANCHMSA-N 432.515 4.704 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](COCC)C1 1359118854 HWYUKLMJPSQVRU-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1359174870 SDRINXRBNXCPDC-AZUAARDMSA-N 432.515 4.764 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1359176448 ZKSAVKGUHMDYAF-RUZDIDTESA-N 442.604 4.550 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1359198095 HYNJQVMOXIJKMA-KRWDZBQOSA-N 447.986 4.903 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1359204014 AOUOZHWIUNYQFG-UHFFFAOYSA-N 440.979 4.954 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1([S@@](C)=O)CCC1 1359268340 MPOGIXHXCHHYLS-BJLXPSRBSA-N 444.670 4.611 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 1361271738 ZZANSIGUSZKFGS-HUUCEWRRSA-N 435.446 4.531 30 10 IJEE CCOC(=O)C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(F)cc1 1434907742 BLZCTSMAMALUBL-XMMPIXPASA-N 446.478 4.701 30 10 IJEE C=CCC[C@@H](C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 1443633960 PGDMDTQTDFAKTN-XMMPIXPASA-N 426.004 4.718 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)c1ccccc1 1464381578 PXXMWLOJRDXPAH-INIZCTEOSA-N 442.915 4.953 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)CCCN1C(=O)OC(C)(C)C 1465802208 WSXHOVRSZGUZSR-RLWLMLJZSA-N 447.664 4.835 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 1472276277 ZRFAJXVDRUFASE-PKHCJMHPSA-N 442.581 4.752 30 10 IJEE C#CCN(CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C(C)(C)C 1473809584 WDPOHVIGNIYROU-UHFFFAOYSA-N 431.458 4.630 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1474143755 OTTUGGGOYIJCLO-QFIPXVFZSA-N 440.971 4.976 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O 1476728593 GMIGRNLAQYMKOZ-KSFYIVLOSA-N 447.373 4.765 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)c1ccc(Br)cc1 1478895407 CCLSEPFMYLRXKX-PMACEKPBSA-N 443.341 4.687 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1507543893 YWNKIKAVLUARNZ-GOSISDBHSA-N 433.531 4.843 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1507553025 CJTWXRPOWANCRI-CBQMWWCCSA-N 443.636 4.962 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H](c1ccco1)N1CCCC1 1507701704 OXCHITNIAALSIE-HSZRJFAPSA-N 449.574 4.686 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1507798143 NFPREUTZRMQKTE-NZQKXSOJSA-N 441.576 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1c(F)cccc1F)N(C)C 1507815299 AYXWLAQUACPNAJ-UXHICEINSA-N 433.547 4.503 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1507881345 NCOQEVZHLUYEGU-NNMXDRDESA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H]2CCCCO2)CC1 1507908680 BAQFSFSWLDXIGK-FQEVSTJZSA-N 430.980 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](c1cccnc1)C(C)C 1507978001 CTJMRPMIXYJOSM-QHCPKHFHSA-N 427.556 4.588 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C(C)C)N1CCCC1 1507998039 JJLSGZRHXDTFKV-QHCPKHFHSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1c(C)noc1C 1508000058 UEXKDGKZQZZSPV-UHFFFAOYSA-N 430.556 4.728 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1508038387 IZODKBIFOLCAQQ-ISKFKSNPSA-N 440.632 4.657 30 10 IJEE C=CC[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1521721076 ZCAUQHHAYFILAW-TZIWHRDSSA-N 441.369 4.729 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(=O)n(CCOC)c1)c1ccc(C)c(C)c1 1523053646 IWLNVOSORKRYMI-UHFFFAOYSA-N 446.547 4.523 30 10 IJEE N#Cc1cc(NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)ccc1Oc1ccccc1 1523663313 DZMPFJZZTXCCTF-UHFFFAOYSA-N 432.501 4.787 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(C#N)c1Br 1524983791 ZPCKJPJBDKNONU-UHFFFAOYSA-N 436.103 4.900 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N(Cc3ccc(F)cc3Cl)CC3CC3)C2)c(F)c1 1525632340 IFJBBXDXOOMCRT-SFHVURJKSA-N 429.898 4.755 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1527088573 KRSXOCKJERXYEI-XMMPIXPASA-N 430.545 4.559 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N(CC=C)Cc1cc(Br)ccc1F 1527807507 WXFPMTPPUCMBBP-UHFFFAOYSA-N 434.305 4.990 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 1528518818 HBRFPJBRHDAWOF-UXHICEINSA-N 436.581 4.930 30 10 IJEE C#CCC1(C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)CCCCC1 1528777783 QGZXQZFPHSQROL-OAQYLSRUSA-N 426.557 4.907 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N=[S@@](C)(=O)c2ccc(N(C)C)cc2)s1 1531658008 JDIBGZQCOBGLRI-MHZLTWQESA-N 444.047 4.588 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc4c(c3)OCCO4)c2C#N)C1 1534339678 ATDAQBQPCLUFDT-CQSZACIVSA-N 428.579 4.883 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)n2)c1 1536405194 BUXWAAXGXPUAET-UHFFFAOYSA-N 439.500 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)CCC(C)C 1538985054 VNOIHOUVOAVDSX-MHECFPHRSA-N 428.646 4.921 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCCC[C@@H]1C 1539034459 DIATWICHHZBMEX-YADHBBJMSA-N 439.673 4.991 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@H](F)C1 1539382248 BKTIXDTUVLMLFJ-ZBFHGGJFSA-N 425.335 4.762 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 1539507698 ZIHWDHAMXOSOOD-UHFFFAOYSA-N 443.498 4.559 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1539526987 YKMZDSCCLBJNAN-OYRHEFFESA-N 438.641 4.748 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1539607377 DOLXMGMJLCCLAD-CQSZACIVSA-N 437.357 4.777 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1539701747 POGYVRFKYOHLBW-UHFFFAOYSA-N 428.650 4.588 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 1539748084 AGOYGOUXUXOFJY-UHFFFAOYSA-N 448.935 4.952 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1539778776 HJERCCMVKCHGHZ-RBBKRZOGSA-N 428.024 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](C)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539929335 SNXGSYFXJLTBDF-MKXGPGLRSA-N 431.625 4.886 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1539982367 NTJWQHNIQLUBEV-HNNXBMFYSA-N 432.931 4.547 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCCO1 1540056402 GAYZELYRVYAZSU-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC[C@H](C)N1CCCCC1 1540133580 HUBFOSCKOWYBCD-FQEVSTJZSA-N 436.579 4.869 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]2C(C)(C)C)c1 1540248161 MWYGFIVDPLUIJM-OAQYLSRUSA-N 447.000 4.982 30 10 IJEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1cscc1C(F)(F)F 1540853185 QKKMVRSLADWOGU-UHFFFAOYSA-N 428.524 4.778 30 10 IJEE C=CCc1cc(CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc(OC)c1OC 1542445810 QPPFBYCEMAKOAP-UHFFFAOYSA-N 432.520 4.582 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H]2C[C@H]2C(C)C)nnc1-c1ccc(Cl)cc1Cl 1543490315 GURBQXLKIQQFQV-BBRMVZONSA-N 439.412 4.938 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2Cc2ccoc2)cc1 1555990593 FCKZFFULBQWTNJ-UHFFFAOYSA-N 445.445 4.539 30 10 IJEE C[C@H](C(=O)Nc1cccc(Nc2cc(Br)c(C#N)cc2F)c1)n1cccn1 1559066549 BKGPOOBVWCFEBE-GFCCVEGCSA-N 428.265 4.600 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cccc(NC(=O)c3ccccn3)c2)cc1OC 1560282603 VYGUNNAVOLLJRU-UHFFFAOYSA-N 437.927 4.851 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 1562098431 OCHLWWXHSUIUCG-UHFFFAOYSA-N 432.477 4.765 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C(F)(F)F)cc1 1564406368 DZLFPUGFHJGUOH-MRXNPFEDSA-N 447.417 4.997 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)c2C#N)C1 1583845257 ABMAGVVCPOVKMT-LBPRGKRZSA-N 436.986 4.690 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H]3C[C@@H]3C2)c1 1586641000 HSOVZKHMBHSKNJ-QXAKKESOSA-N 444.984 4.640 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)Cc2ccc(F)cc2Br)cc1OC 1586687177 VDJFASGIZXVWGT-UXBLZVDNSA-N 434.305 4.833 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 1587234867 YKEZCUYQOHOEJD-XQFWAAQXSA-N 426.582 4.591 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(Cl)c1C 1587574969 OKTMQTBGMOVIGJ-CYBMUJFWSA-N 446.780 4.514 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1587850986 AQATYYWDZUBLBU-FQEVSTJZSA-N 430.499 4.528 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1589070440 TUQZBQJRKUOJFY-NRFANRHFSA-N 445.721 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1ccc(F)cc1C(F)(F)F 1589192533 XYKVBQCOXOQLDW-OAQYLSRUSA-N 429.421 4.538 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC 1589506345 VDAXHVZDPIHSBX-CXAGYDPISA-N 439.785 4.798 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCCc1ccccc1 1593895472 QKIDIXJOYNAXRH-UHFFFAOYSA-N 434.975 4.728 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1594122085 JKAAJVLYNVKQST-HSZRJFAPSA-N 437.632 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCSC)CC1 1594202339 MHQOMRQSLXUHPD-UHFFFAOYSA-N 438.439 4.971 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1594591249 PHSKYUVJTFHVMQ-UHFFFAOYSA-N 425.968 4.900 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1594794031 XQDMZOYCQXJTDS-OAQYLSRUSA-N 448.615 4.563 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1Cc1nccn1C(F)F 1595093173 CNGBNCRAPDTRLM-UHFFFAOYSA-N 437.498 4.640 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C(C)C)CC2)C1 1595701225 YOEYYZIGNBBJCV-SFHVURJKSA-N 430.980 4.825 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](CC)C1 1595854411 AIYKKVWKTWVRLD-DOTOQJQBSA-N 437.009 4.530 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCC[C@H]3c3ccccc3)ccc2c1=O 1611322362 YKSMEOMFKQIZFS-UXHICEINSA-N 433.577 4.575 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 1615440843 HJMWHFDHZXJZEB-HNNXBMFYSA-N 439.922 4.632 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 1623075153 ANOMRLWJQCLFAC-MZNJEOGPSA-N 435.549 4.970 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)CC2)nc1 1623329117 CUJOWEKDSPJHTC-UHFFFAOYSA-N 429.307 4.861 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 1624587112 RLEGDHCABXSTRB-UHFFFAOYSA-N 447.379 4.916 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 1625002876 PKBHNGSAANNQCK-UHFFFAOYSA-N 437.565 4.803 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 1626632441 ZPNARIFBNCYRLY-NRFANRHFSA-N 426.601 4.829 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)c1ccccc1 1629366782 JBTRYYNUUQUDRP-GOTSBHOMSA-N 426.582 4.559 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2(c3c(F)cccc3F)CCC2)nc1C 1632842464 OLADISODKGSPMH-UHFFFAOYSA-N 447.536 4.523 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 1637383734 GENCVSFRFJUAIW-IBGZPJMESA-N 435.528 4.813 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(C)(C)[C@@H]1CCCCO1 1637459199 UNEWEGQXCBHGDF-SFHVURJKSA-N 427.358 4.881 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(OCCC)c(OCCC)c2)C1 1646575925 CRDZSCWESAROLT-FQEVSTJZSA-N 433.548 4.981 30 10 IJEE C#CCOCCN(C)C(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1648264794 RYPXNNDJVFNEBD-TUNNFDKTSA-N 445.625 4.505 30 10 IJEE C#CCC1(C(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)CCCCC1 1650886846 QXPUYEWXJPJBAP-NRFANRHFSA-N 428.617 4.988 30 10 IJEE C=CCC[C@@H](NCCCON1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 1653041329 MIMZOOBLPABXJC-HXUWFJFHSA-N 432.442 4.920 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC(CC)(CC)c1ccc(OC)c(OC)c1 1659597544 ZOXLYPKFWDYKCC-UHFFFAOYSA-N 428.504 4.734 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC 1661722040 UUAJMQNFYKBFAJ-UHFFFAOYSA-N 449.878 4.583 30 10 IJEE Cc1nc(CC2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)CC2)no1 1661860170 FTBIIEREOIRLMA-UHFFFAOYSA-N 433.537 4.888 30 10 IJEE C=CCN(CCc1ccco1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br 1663079458 NQXOPVAXNDOXLW-UHFFFAOYSA-N 439.158 4.768 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 1670546329 YZKHSEFLXQVAAF-UHFFFAOYSA-N 432.377 4.745 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CCCC1(C)C 1672803904 IZEWIMROAZXZJK-KNKQGSTJSA-N 447.645 4.952 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(I)c(Cl)c1 1674770504 IFXWHBKQZNULRV-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@H]1C1CCCC1)[C@H]1CCOc2ccc(Br)cc21 1684789169 AJBCGMIDVXZHSZ-QRFRQXIXSA-N 431.374 4.744 30 10 IJEE Cn1cc(CNC(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1 1686078510 DXCJSSLNISHSMM-UGKGYDQZSA-N 433.943 4.748 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN(C(C)C)C1 1689828152 LIOMONAEBRAEKW-ZCNNSNEGSA-N 444.023 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N1CCC[C@@H](C)C1 1689836080 XXAAEEYFZIBTFI-ZGXWSNOMSA-N 439.673 4.710 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1sccc1C 1690035060 ZZCRTRAFEFMAAL-UHFFFAOYSA-N 439.588 4.877 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)[C@H](C)CC 1690196318 GVVAJPSZIPNETF-KBMIEXCESA-N 439.673 4.998 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)CC1 1690306345 UBYMYTNYYMBVCN-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690307303 WMOVNIUXUNURJD-FQEVSTJZSA-N 444.023 4.503 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2c(C)nn(Cc3ccccc3)c2C)CC1 1690397072 UUMSSAQVUCQDTJ-UHFFFAOYSA-N 432.616 4.888 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCOC1 1690422218 HRUHEBYPYBSSFS-INIZCTEOSA-N 433.394 4.783 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1690490118 PQFXBZVAESEDJI-VWLOTQADSA-N 435.660 4.978 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccc1C)C1CC1 1690539070 URPQBSHYJVBZQA-UHFFFAOYSA-N 426.362 4.742 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(CCCC)nc1C)C1CC1 1690553615 AFZHGGRMVGTEHU-FGZHOGPDSA-N 440.636 4.705 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690649785 UORPYRBMTISKLD-APWZRJJASA-N 438.494 4.631 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccoc2)C1 1690712430 VQIMQHGHXIPHER-NRFANRHFSA-N 436.556 4.712 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@](C)(O)c2ccsc2)o1 1693047711 BXTOQLHFJUASEH-QFIPXVFZSA-N 427.574 4.582 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C[C@H](C)O1 1694929029 BDLWSCZRUFUXTG-MAUKXSAKSA-N 441.988 4.778 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705528378 DRJMRJCYEXKJBS-BJKOFHAPSA-N 436.600 4.931 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCCN1CCCC[C@@H]1C 1705542975 SIICDQCMDKDOSQ-JTHBVZDNSA-N 437.632 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCCCOCC 1705670371 RGRFWRYVBXQKRR-LJQANCHMSA-N 437.407 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1705708706 GEMKSOJPPJHGLK-LJGDZFJRSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[S@@](=O)C(C)(C)C 1705714527 VLIAUWGAWNGAOZ-WJOKGBTCSA-N 441.601 4.550 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1705778737 IOUSTGPJZBQZOK-UHFFFAOYSA-N 443.567 4.790 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1705784883 NBKFSAGJYXCMSJ-QHCPKHFHSA-N 439.648 4.853 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1705795856 SUTVAEXFAXNYGX-BHDDXSALSA-N 443.680 4.864 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705800645 FFTQVPBDBUVBDD-HIFRSBDPSA-N 429.874 4.506 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCN2CCC)C1 1705918544 LJYLBTMKIDMGKR-WOJBJXKFSA-N 444.023 4.644 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](c1cccnc1)C(C)C 1722304125 WGBQKTFXSOCTDM-TZIWHRDSSA-N 449.624 4.872 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccc(C)s1 1722452301 ONCZNRXHALVRBA-UHFFFAOYSA-N 448.564 4.919 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)C/C(C)=C\c1ccccc1 1722483615 QAXPTHPQVHQACX-UIRWJGRMSA-N 431.378 4.620 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1722492473 BGCNFIYGWGQPNT-QGZVFWFLSA-N 441.320 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCC)C1 1722584883 ZSANSIGJRIQWBQ-NRFANRHFSA-N 439.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1 1722588075 JQAJSVZCAYZOCM-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](CC(N)=O)C1 1722597496 NLBPFQZPAIYOHZ-ZWKOTPCHSA-N 441.645 4.580 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC(C)(C)C1 1722599027 SNFDPLKZZFCCCL-UHFFFAOYSA-N 427.618 4.835 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1722609544 XOFCOHVSLUPJHB-QGZVFWFLSA-N 429.996 4.700 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722613024 OYRORPZYHZTQAW-HXUWFJFHSA-N 437.632 4.851 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722632556 YMUSRGZIRAZMJT-KNQAVFIVSA-N 434.588 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1ccccc1 1722661201 WQOLLALTXFNZNN-IBGZPJMESA-N 435.597 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C(C)C)N1CCCC1 1722667114 WJICSNAWZKWFIO-XMMPIXPASA-N 430.600 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO[C@H]1C(C)C 1722677041 RIAQTTYLJHCLDT-URXFXBBRSA-N 449.599 4.928 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Cc2ccc(OC)cc2)C1 1722719112 QPJYQEVQUWDZCN-UGKGYDQZSA-N 426.605 4.535 30 10 IJEE CC(C)c1csc(Cn2c(Cn3ccc4ccccc43)nnc2N(C)C[C@H](C)C#N)n1 1722868669 CVFKGZNCWMIBBC-QGZVFWFLSA-N 433.585 4.505 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1730760822 BLKRKVCBRYJMOV-JKSUJKDBSA-N 439.457 4.744 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(N(C)C)CCCCC1 1740636271 QDDCMRIJVLOQJT-UHFFFAOYSA-N 444.410 4.589 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CCCCC1 1740679234 QVQWUCIZOZAXHA-OAQYLSRUSA-N 439.623 4.768 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1740688455 QIYNVUGDIGKWGV-FHWLQOOXSA-N 445.032 4.746 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(C)CC1 1740739808 AUIMVUDOBOFWAS-UHFFFAOYSA-N 449.393 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]1CSC 1740753591 LRFNPZXVESUCIT-SXLOBPIMSA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1csc(C)c1 1740777836 MYEKCMZTNBQPDO-KDURUIRLSA-N 445.633 4.869 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1740781938 MLUQIIONOPNRRY-UHFFFAOYSA-N 442.489 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2CC(F)(F)C2)CC1 1740820732 PARFKJRMMRQVCU-UHFFFAOYSA-N 432.515 4.943 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cscc2C(F)(F)F)CC1 1740833632 UYFFYMVPDDSRFW-AWEZNQCLSA-N 444.523 4.533 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(F)cc2C)CC1 1740840543 CBFOJUPIQNHBJC-UHFFFAOYSA-N 425.577 4.726 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1740882442 LJKLDLAWXXXKKY-RXVVDRJESA-N 437.975 4.969 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1CCCNC(C)=O 1740922315 CFIWBCNVHCGKPN-UHFFFAOYSA-N 447.967 4.518 30 10 IJEE C=CCn1c(COc2ccc(OC)cc2)nnc1N(C)Cc1csc(Br)c1 1740948815 IRTAJZNVIAVMCB-UHFFFAOYSA-N 449.374 4.512 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H](C)C#N 1741495919 DLDTVIUTXCRHJU-GGUMNFRJSA-N 443.661 4.914 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1748738965 VBXDCSGFHABWJB-KRWDZBQOSA-N 426.977 4.556 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCCCc1nc(C)cs1 1748780420 XICXNUBSEXBFBS-UHFFFAOYSA-N 444.402 4.565 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)CC#N 1749110108 GSYYJYLERCXJES-INIZCTEOSA-N 446.393 4.802 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2F)CC1 1749364475 RXWGBYLPMJTAGL-UHFFFAOYSA-N 434.563 4.717 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749376377 XZYWUUFIMXGDBI-ICSRJNTNSA-N 428.552 4.604 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1749429774 OIPPJDKXDXDAOE-LJQANCHMSA-N 431.378 4.852 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1749754501 ODGKMAQTSOBBJH-VQTJNVASSA-N 449.020 4.670 30 10 IJEE Cc1ccsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1751348667 AWBNQMKQLRTVPN-FPGHNAPASA-N 441.645 4.939 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@@H](F)C1 1760224005 ULJPLJOLHJFBFU-IFMALSPDSA-N 436.575 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(NC(C)=O)c1 1760226862 LYTBYFPHLIYFMX-KRWDZBQOSA-N 447.608 4.598 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@H](C)C1 1760276123 TUSQSRUOBXRKBX-AWEZNQCLSA-N 439.448 4.762 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1760301168 UHUVVLCWCOLBBS-BBRMVZONSA-N 433.350 4.770 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1760322157 OMMREPBTLUYUHT-IIBYNOLFSA-N 436.522 4.902 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760347988 KVXMRXUKMYXTOA-YJBOKZPZSA-N 437.371 4.745 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C)C1)c1ccccc1 1760362601 PGMIPDFYEXYGEI-INIZCTEOSA-N 440.389 4.996 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCNC(=O)c2occc2C)CC1 1760383015 DNYHCJJHBZJJDO-QFIPXVFZSA-N 447.583 4.698 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(=O)N(CC)CC)CC1 1760398647 GICSOKNBKVFGAM-UHFFFAOYSA-N 447.986 4.789 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2CCOC2)CC1 1760413691 QCXXLDBXVVESAL-JOCHJYFZSA-N 438.616 4.733 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760423427 ZMVRCBUQJZPHRM-UHFFFAOYSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760429912 UESRWOHDDNAQSC-VXKWHMMOSA-N 425.621 4.749 30 10 IJEE C=CCCCCn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760430833 VQAWXKNJJRJUJO-DFBJGRDBSA-N 442.579 4.938 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1760452132 FRNVCUCUDBBHON-FQEVSTJZSA-N 426.561 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC=CCO1 1760487938 HSYKGPDNRNRRMI-HMXCVIKNSA-N 442.629 4.796 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760560181 PKDZCBOEPZAUQH-GOTSBHOMSA-N 440.657 4.992 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760568634 OGAOSNPKKDUVIH-RTWAWAEBSA-N 444.670 4.946 30 10 IJEE C[C@@]1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCCS1 1761544545 GRTTUFGXMIAPSN-VXKWHMMOSA-N 430.021 4.938 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)C1 1766781700 FREBQFJSPKRAGM-SFTDATJTSA-N 439.629 4.622 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCC1CCCC1 1770536890 GQIYVGRLKYWGCQ-QHCPKHFHSA-N 443.592 4.991 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccco1)CC2=NOC(=O)c1ccc(Cl)cc1 1772722267 BYDWLKRCBQSLFH-PKTZIBPZSA-N 428.916 4.979 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc(C)cc2)cc1 1862475178 FVNOLNRTXDPZSG-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2c(F)cccc2Cl)c1 1862494094 FMVHDLBPXIDXET-VFNWGFHPSA-N 443.902 4.853 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Br)cc2)cc1 1862540748 VCEGQOXXIWNFLX-IBGZPJMESA-N 428.326 4.998 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc(Br)ccc1F 1862601644 JSDJVGUUZRRKSR-GOSISDBHSA-N 448.288 4.672 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862682098 KRUSKXIGLXYQAV-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1OCC 1862683225 HUFSQGRKEVSYGS-IVZQSRNASA-N 441.499 5.000 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(C)c3C)C2=O)cc1 1862828567 OKWWPUBPPBDIBM-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccccc1Cl 1864213761 LZPSJUSDWIYNBW-LJQANCHMSA-N 430.980 4.553 30 10 IJEE CCC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866775579 NSAGIUNFDXSTNF-JTHBVZDNSA-N 435.568 4.929 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868291095 HRZUCNLIYIPLCV-JOCHJYFZSA-N 427.552 4.881 30 10 IJEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)cc1 1870107853 BGWADXPZDAYIEL-UHFFFAOYSA-N 428.323 4.639 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2cc(Cl)ccc2Cl)cc1 1870154199 RDFIYTIKURLNJR-UHFFFAOYSA-N 429.311 4.544 30 10 IJEE CCCCCCCOc1cn(Cc2cccc(C)c2)c(CN2CCC(O)CC2)cc1=O 1870412893 MSJJWWRWKOTEGN-UHFFFAOYSA-N 426.601 4.511 30 10 IJEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN(CCC)CCCC 1870667925 NGAYTUFGASTHDG-UHFFFAOYSA-N 435.653 4.865 30 10 IJEE CCCCCCCOc1cn(CCN(C)C)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870838316 YGBVKILTYLVUDD-UHFFFAOYSA-N 444.576 4.588 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC)C3=O 1871349262 RMQRRLWOJYBDBB-JLPGSUDCSA-N 436.552 4.585 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)c1 1871364887 YFTGEXZVFNUXPN-UCQKPKSFSA-N 446.455 4.613 30 10 IJEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1OC 1871367331 GJPXGELZORHDGO-UCQKPKSFSA-N 445.471 4.562 30 10 IJEE CN(C)C1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)CC1 1871396127 QBKUEUBYCBDODZ-NHDPSOOVSA-N 447.362 4.841 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4nnc(CC)s4)ccc3C2=O)cc1 1871443826 HUJMEJLIORHEOF-FAPYRAKZSA-N 449.532 4.685 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N(C)CCO)n1 1871553755 RPWBBDQLYPTJLZ-UHFFFAOYSA-N 428.625 4.536 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCN(C)CC2)n1 1871663763 MSWMUXBDFXWVTB-UHFFFAOYSA-N 446.043 4.523 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871960074 XICUXHUYFSNDAY-KBXCAEBGSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(Br)c1)S(=O)(=O)CCC 1872009339 ZVAUPLWGICKJAP-SFHVURJKSA-N 445.423 4.564 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872466873 STOQEMNDHAXNRU-IERDGZPVSA-N 434.989 4.879 30 10 IJEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 1872767290 WPKCDOVPOVOZGD-AUUYWEPGSA-N 429.501 4.695 30 10 IJEE Cc1nn(C)c(C)c1/C=N/n1c(SCc2ccc(Br)cc2)nnc1C(C)C 1873503534 NKRVOGCYEAIYGG-UFFVCSGVSA-N 447.406 4.689 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccccc1F 1874359828 AVHTXUXOWBRQCO-AFUMVMLFSA-N 440.544 4.552 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc(F)c1 1874360343 BVADRTQXGZDNPE-AFUMVMLFSA-N 440.544 4.552 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1sccc1C 1874405405 WKWOICHMEOHSCF-HYARGMPZSA-N 433.647 4.614 30 10 IJEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1O 1874417407 KBPPAFGDCQBNIP-CVKSISIWSA-N 448.523 4.897 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)ccc1O 1874445645 HJCZZGHZRVKAJP-BYWZACNXSA-N 444.944 4.672 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1nccs1 1874581369 KMCWVLAPMFERFV-VQHVLOKHSA-N 426.469 4.513 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1874634348 XNATXANSMGSJEX-CSKARUKUSA-N 445.943 4.809 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)CCCSC)c2)c(OC)c1OC 1874717322 LARPAJSLYWQNKX-ZRDIBKRKSA-N 430.522 4.657 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)c1 1875103029 UCUBPYCMQRAPLE-CMDGGOBGSA-N 433.460 4.531 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875146623 DDSVQYFGKYHWMH-XYOKQWHBSA-N 430.456 4.511 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cnc(C)cn1 1875190265 QREBBAQQYFFFQA-VQHVLOKHSA-N 446.503 4.924 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)Cc1ccc(Br)cc1 1922059038 CWRPAWVZXYCHES-DHIUTWEWSA-N 432.402 4.884 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)CC1(C)C 1922087052 VVDWDONGYSUNCY-BKMJKUGQSA-N 446.632 4.526 30 10 IJEE Cc1nc(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(Cl)cc1C#N 1956262252 OWZUQZNKUMDRTR-UHFFFAOYSA-N 432.911 4.866 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 1978439800 AUSDCNBNKXAXDM-OAHLLOKOSA-N 435.487 4.715 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)CC2(CN(C(=O)OC(C)(C)C)C2)C1 2063400917 RQCYUWMWNZLMAB-UHFFFAOYSA-N 443.544 4.730 30 10 IJEE CCc1ccc([C@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)cc1 2079080225 GPYPTOHQNRPWGT-NIQDBXHUSA-N 437.325 4.981 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(Cc2ccccc2)C(C)(C)C1 2079248075 CTAGOZURDFTMNX-XTEPFMGCSA-N 436.640 4.933 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(NC1CC1)c1ccccc1)Cc1ccccc1 2095877983 SNDQMYCJGAAGCU-GDLZYMKVSA-N 438.619 4.792 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(Br)c1F 2102879199 FXGBAGICDQBFFS-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc(Br)c2C#N)C(F)(F)CC1 2106010415 NIIVKRMGXAVVPR-HNNXBMFYSA-N 430.293 4.767 30 10 IJEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1cc(Br)nc(C(C)(C)C)n1 2137394653 ORGITQFXFWQMQS-ZDUSSCGKSA-N 428.371 4.632 30 10 IJEE N#C[C@H](C(=O)c1ccccc1I)c1ccc(F)cc1Br 2185187161 RJOKHUCJPCCJQF-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE C[C@@H](c1cc(Br)cs1)N(C)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280769347 XWFHQQXDIKNYPL-NSHDSACASA-N 441.175 4.541 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2ccc(Br)cc2)C2(CCCC2)C1 2296277714 VTOYGPAISPBQPU-GOSISDBHSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@H](O)C#Cc1ccc(Br)cc1 2296278075 ZXYQSAISNLFSDX-UYAOXDASSA-N 436.390 4.883 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2296289916 XBNCMPMEQYJKEN-CRAIPNDOSA-N 449.311 4.624 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)OC(=CC2=Cc4ccccc4OC2)C3=O)cc1 2296844951 ZLGMGRWGVAGWSH-UHFFFAOYSA-N 440.451 4.892 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1 2296866053 UJXIBGNPWVAXST-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)c1OC 2296868565 VKKHKURFQLFSJF-UHFFFAOYSA-N 431.488 4.658 30 10 IJEE C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(OC)cc1 2297453487 RYIGDDRCSOTAKF-UHFFFAOYSA-N 439.562 4.864 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1 2314522290 CBBJHUUXURHUJJ-HXUWFJFHSA-N 449.334 4.516 30 10 IJEE CN[C@H](C#C[C@@H]1CC1(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2317325554 BBIXCWPSAJXFFT-DHIUTWEWSA-N 439.644 4.574 30 10 IJEE CCCOc1cccc(C=Nn2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)c1 2321143070 VCIVYGXZUCUIAA-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nncn2N=Cc2cccc(OCc3ccccc3)c2)cc1 2321256513 IQZRLKPWENSPIH-UHFFFAOYSA-N 445.504 4.940 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2321854447 UXESLYNHTYPUPM-UHFFFAOYSA-N 444.439 4.706 30 10 IJEE O=C(Oc1ccc(C=Nn2c(S)nnc2Cc2ccc(Cl)cc2)cc1)c1ccccc1 2322035099 XHKRONWRJRREAY-UHFFFAOYSA-N 448.935 4.912 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2323987250 KICSTEYJKRYOLO-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cc(OC)ccc1OC)C2=O 2325044739 JDUHUVNNSHWYCF-UHFFFAOYSA-N 440.492 4.741 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1 2325730533 FWBCKDQPDJECDM-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OCC(=O)OCCOc3ccccc3)cc(C)c2C1=O 2325745186 OFFXZIJVPMLQKX-UHFFFAOYSA-N 444.483 4.921 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OC(C)(C)C)cc1 2326810179 FQPRNVSQIJJSAV-UHFFFAOYSA-N 425.514 4.847 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc([N+](=O)[O-])c1 2328556605 YPRNLZCPLSMEOG-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE COc1cccc(CCc2nnc(SCCCO)n2N=Cc2cccc3ccccc23)c1 2328658097 KYEODFOHEXUIER-UHFFFAOYSA-N 446.576 4.582 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc([N+](=O)[O-])c1 2328846766 LVVGBGXGGCFATG-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE Oc1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)c(O)c1 2329663629 KGAOBQJGLFWQEK-UHFFFAOYSA-N 436.562 4.711 30 10 IJEE O=C(O)c1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 2329741002 FAIBUTHUCFBDEW-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE COc1cccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)c1O 2331138323 LUOTVEKFQYEEMB-UHFFFAOYSA-N 436.459 4.802 30 10 IJEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)C(=Cc1ccc(OC)cc1)c1ccccc1 2332190337 IZBKCSCWWDVVMJ-UHFFFAOYSA-N 449.514 4.889 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)CCc1ccc(OC)cc1Br 2339379417 HYNDKTAOTRFASB-MSOLQXFVSA-N 427.383 4.577 30 10 IJEE CC[C@@H]1[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339579646 YXNYEVGGILTJPK-PWHIRKQZSA-N 444.381 4.893 30 10 IJEE N#Cc1ccc(Nc2cc(F)c(I)c(F)c2)cc1Br 2341181580 VLFUHKDWEIUXMC-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCC[C@H](CN(Cc3ccc(Br)cc3C#N)C1)C2 2358294201 ZUSYKSMZSNQHED-BTYIYWSLSA-N 434.378 4.590 30 10 IJEE CC#CCN(C[C@@H](NCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2363116727 FVXMUAPXWZIYGA-LJQANCHMSA-N 439.394 4.507 30 10 IJEE Cc1cc(CN[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369624374 GXTYHHZWAKXJDA-MPIKPJSNSA-N 446.444 4.579 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H](N)C#Cc2ccccc2Br)C1(C)C 2370147308 QLCDZQWOLFPMEX-JENIJYKNSA-N 435.406 4.848 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC)C2=O)cc1Br 9236558 HPYRYHICVBRIEQ-XYOKQWHBSA-N 447.148 4.833 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3cccnc3)n2)cc1 20837157 GEXLBXVTQQMROB-SXJXFNOXSA-N 437.573 4.670 30 10 IJEE CCOc1ccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(N(C)C)cc2)cc1 22730509 YPXSVVRHYTWQFE-UHFFFAOYSA-O 438.548 4.629 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc3ccccc23)s1 35568536 DEJHLTMHXMXRTD-DYESRHJHSA-N 448.544 4.670 30 10 IJEE C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C(C)C 36316031 WPVDFAKUJMOHSC-HSZRJFAPSA-N 449.595 4.962 30 10 IJEE C/C(=N/OC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O)c1ccccc1 38204693 PBYHZTBIBPTECE-QGDBZYOCSA-N 444.512 4.694 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(OC)c(OC)c3)c2C)C1=O 41289411 YKIBXDPGNMRPMQ-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 41292729 YCEURVFPKKAJHX-YVNNLAQVSA-N 434.419 4.987 30 10 IJEE CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N/c1cccc(C(F)(F)F)c1 101662092 IMVSNNDSELEXSA-OCDBCJEZSA-N 441.862 4.949 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1cccc(Cl)c1 169913103 MMNNEOXPCOEIBL-NVIPHDJISA-N 444.944 4.542 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973201 AMNXLRAKLQOAJZ-OAQYLSRUSA-N 427.435 4.793 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC(C)C)cc1 170152083 IWKFGFAYTGGZER-QFIPXVFZSA-N 437.492 4.581 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccn1 170172618 KJPUYADBFBWDPZ-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)c1 170199905 YQOBWFVUPBRHTC-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)cc1 170206322 FGDVDLJATGIHTB-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(OCC)c1 170218388 RAZMYEKTRUTHST-NRFANRHFSA-N 438.480 4.762 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170240698 GNJJMMBVGLQXKZ-AUSIDOKSSA-N 431.463 4.736 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1F 170248896 MSWMWGIPHLARAT-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)c(OC)c1 170256393 WCYXNPXKCJSKKJ-QHCPKHFHSA-N 446.503 4.706 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)c(C)c1 170257697 QSMITAWXNGNZLG-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)c(C)c1 170259744 FCTLCUUZDFBNNY-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273416 GCZNDIYOHHWBJZ-XUZZJYLKSA-N 449.547 4.787 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccco2)cc1 170284673 UCJNELQWIKERTL-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2CCOC(C)C)o1 170298808 CDUKDNHGCUPWAI-HXUWFJFHSA-N 443.883 4.991 30 10 IJEE CCN(CC)CC/N=C1\S/C(=C/C=C2/Sc3ccccc3N2CC)C(=O)N1CC 205556527 OTEYEAOLHPQARO-GKRNHZJOSA-N 430.643 4.637 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C/c3cc(OC)ccc3OC)C(=O)N2CC)cc1 252615676 JUSSMLVVQFHWKU-ZOAXWHFDSA-N 440.521 4.504 30 10 IJEE C[C@H]1CC[N@@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@@+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 253685882 NHIMKJGHMGZYFT-FHZAIZPMSA-N 434.624 4.692 30 10 IJEE C=CCn1c(SCc2noc(-c3ccccc3)n2)nc2sc3c(c2c1=O)CCCC3 302841851 AMVXJRUDAXERCY-UHFFFAOYSA-N 436.562 4.865 30 10 IJEE CN(C(=O)c1ccccc1OCc1ccccc1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 405033199 POGNENJGJVUCNX-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 436326863 QQQHGKWVVQNTCB-CTNGQTDRSA-N 441.560 4.767 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 460563054 BYYDHEBASYUDLN-QHCPKHFHSA-N 448.567 4.930 30 10 IJEE C=CCn1c(Sc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)nnc1-c1cnccn1 481816965 PRVAMMSBODHVCF-LBPRGKRZSA-N 435.582 4.510 30 10 IJEE C=CCN(C(=O)c1ccc(Cl)c(Br)c1)c1nc(C(=O)OCC)cs1 510613207 IBJZTZUGKCHVSQ-UHFFFAOYSA-N 429.723 4.569 30 10 IJEE CC(C)(C)c1csc(NC(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1C#N 586633164 NGGCXXLMKDDPCO-UHFFFAOYSA-N 433.537 4.886 30 10 IJEE C[C@@H](NCc1ccc(C#N)cc1F)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 610812588 LZCHWQLBIAKHJD-QGZVFWFLSA-N 429.561 4.549 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1C[C@@H]2CC[C@H](C1)O2 670196559 SPUXMKLHMPBUKD-OYRHEFFESA-N 434.515 4.607 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 711087294 MJLWJFQPVVTFGY-HRAATJIYSA-N 436.557 4.853 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)ccc1Cl 734914060 IFQWGUZBYDCHHS-HOTGVXAUSA-N 432.854 4.520 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3nc(-c4ccccc4)cs3)c2)s1 740506933 DYVHBAPIMJOGMM-UHFFFAOYSA-N 444.541 4.665 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3cc4ccccc4nc3O)n2)cc1 767440528 FSWSCTVABDKMIO-IBGZPJMESA-N 429.501 4.882 30 10 IJEE CCOc1ccc(N2C(=O)/C(=C/NCC3CCC(C#N)CC3)c3ccccc3C2=O)cc1 799742760 IGROLJAOIPFLQX-JJIBRWJFSA-N 429.520 4.533 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)CCO3)cc1 917612498 UVVSNCVNVJGRNO-UHFFFAOYSA-O 428.537 4.666 30 10 IJEE CCCCCSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(CC)CC)n1 1084397177 MADQCMDEQSXFBD-UHFFFAOYSA-N 440.621 4.873 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cn(C(C)C)nc1C)c1ccc2c(c1)OCO2 1124144921 HIZBODYQLCSKFD-UHFFFAOYSA-N 433.508 4.913 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)c2C#N)C1 1124282579 HCDOPTRRYVUIAO-NSHDSACASA-N 446.363 4.943 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 1124451789 KNNAEUBIZPYRLJ-UHFFFAOYSA-N 448.519 4.551 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@](C)(C(=O)OCC)c1ccccc1 1128138055 BWAFMMYOAVSVTI-JOCHJYFZSA-N 435.442 4.521 30 10 IJEE C#C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccc(Br)cc1 1141460974 LHDHKOOTXODXQO-FQEVSTJZSA-N 430.305 4.892 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCCN2Cc2cccc(F)c2)cc1 1142298227 CWTHHNLXXCWIJX-XMMPIXPASA-N 435.543 4.633 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 1159777251 BNHMLXCABNBACE-HXUWFJFHSA-N 429.358 4.997 30 10 IJEE C#CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOc2ccc(Br)cc21 1167420889 LFELNXHUENHPQU-KRWDZBQOSA-N 435.705 4.970 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(c3ncc(C(=O)OC)s3)CC2)cc1OC 1182949461 LCEVOSUCBKPMSC-UHFFFAOYSA-N 436.961 4.536 30 10 IJEE C=C[C@@H]1CCCCN1CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 1193941892 IVSYUCSLEYYASY-XMSQKQJNSA-N 442.485 4.828 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(Cl)cc1F 1197661432 KJJJNTLCMAXQFA-HXUWFJFHSA-N 434.920 4.691 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c1 1198965371 FCHIFYRIKQNFHM-NRFANRHFSA-N 431.330 4.529 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1200392599 CXYHESHQGQIYNP-SOLBZPMBSA-N 430.574 4.554 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc1 1201306175 LYFQDCBRRMYOII-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccc(C(F)(F)F)cc1 1211147071 CDOJUOBEYCNMEF-MRXNPFEDSA-N 444.431 4.608 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1212140956 YVZNOQZCNZWKNC-INIZCTEOSA-N 448.304 4.934 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(Br)cc1 1214792615 NVEMYZHMOKZJDA-SFHVURJKSA-N 434.284 4.824 30 10 IJEE C[C@@H](Oc1cccnc1NC(=O)N1CCN(c2ccsc2C#N)CC1)c1ccccc1 1216790059 AWGYAUXLQQFJKG-QGZVFWFLSA-N 433.537 4.509 30 10 IJEE CC(C)CC[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(Cl)cc1 1224065122 HZEORIYTDHMZCU-IHPCNDPISA-N 448.995 4.876 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cnn(-c2cccc(Cl)c2)c1C 1264280689 BWJUCYMIIDQNQW-UHFFFAOYSA-N 440.883 4.577 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286415575 HEHJMFLPZCLDRU-WOJBJXKFSA-N 444.501 4.840 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@@H](C)c1ccccc1 1286453273 YNBXJKXTRJHFGQ-MDNUFGMLSA-N 438.616 4.824 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CC(O)(CC)CC 1286517702 KUNUCWKJDPSPHU-OAQYLSRUSA-N 445.405 4.559 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1286686859 DFRYVICUDRUVDW-LJQANCHMSA-N 430.543 4.756 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286692956 KKVJEWWCVUGWPN-RUZDIDTESA-N 439.604 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1c(CC)nn(C)c1CC 1286718672 RVKHCZNLUILTMI-INIZCTEOSA-N 438.645 4.660 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccnc(-n2cccn2)c1 1286719208 KQLXMOWOWBQAHJ-UHFFFAOYSA-N 440.338 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(OC)cc1F 1286747003 CZXCYYJBYTYOCK-UHFFFAOYSA-N 437.544 4.734 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@H]1CCC(F)(F)C1 1286747150 KDZMLENBVFRBDE-INIZCTEOSA-N 428.462 4.502 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCc1ccc(C)cc1C 1286747652 NMPBEAVMLMCRRU-UHFFFAOYSA-N 437.613 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)no1 1286748191 SMUGNYLGQPFSOF-UHFFFAOYSA-N 426.933 4.592 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1 1286763519 KYZMDYFBKPNGBE-UHFFFAOYSA-N 444.583 4.519 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286771681 HKADJORHGRGJJS-TXEJJXNPSA-N 429.284 4.760 30 10 IJEE CCCCCCC[C@@H](C)CNC(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12 1291884875 KRRXMEYOANHKJC-MRXNPFEDSA-N 425.529 4.719 30 10 IJEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 1298233771 DVWZKBCVWHSCBO-UHFFFAOYSA-N 429.977 4.974 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCS1 1300559424 PPPREGYAHJDKOH-HXUWFJFHSA-N 429.593 4.550 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CCCS1 1300609873 YOVCXCSLMCDTLC-LJQANCHMSA-N 437.382 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1300920898 HFKVSAHKIUMZHW-UHFFFAOYSA-N 443.680 4.837 30 10 IJEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](SCC)C1)c1ccccc1 1301010066 SDTKWNIKAPCOIC-FCHUYYIVSA-N 426.630 4.998 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1301091977 QOERGOXDGQRHNB-FCHUYYIVSA-N 438.616 4.996 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301199095 XCTZXVVRKRLUTD-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](CN(C)CCC)C1 1301202997 SZBIYQXQTJBKDN-OAQYLSRUSA-N 432.616 4.936 30 10 IJEE CC(C)C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)CC(=O)OC(C)(C)C 1301241188 ASNAUSRYBDGYSW-SFHVURJKSA-N 440.540 4.854 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCCC[C@H]2C1 1301259107 DOIRZWHELXZBPL-MOPGFXCFSA-N 430.543 4.756 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC12CCC(CC1)C2 1301293999 KEMIYRNUCSYUEZ-IQJRZOLZSA-N 429.609 4.595 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](OC)C(F)(F)F)C1CC1 1301316628 GTQRWOKRKBLTDL-MRXNPFEDSA-N 432.849 4.860 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CCN(CC)C(=O)OC(C)(C)C 1301349083 KBYZXCBEUASIBX-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1ccc(F)cn1 1301402694 QHJMIJBENLRACR-UHFFFAOYSA-N 433.556 4.748 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1Cc1ncccc1N(C)C 1301406390 RQBRBHFAFCWKBL-UHFFFAOYSA-N 442.567 4.591 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](C)C1 1301531724 VSAQNCHNHCFUPK-GOSISDBHSA-N 437.613 4.873 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccsc2)N(CC)CC)C1 1301535479 LIKDXTDNGDDTKT-WOJBJXKFSA-N 431.650 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(O)(CC)CC)C1 1301542011 HWZMUDVWWATWED-INIZCTEOSA-N 439.387 4.584 30 10 IJEE C[C@H]1CCCN(CCn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)C1 1305047416 GFSWERAGMJDGSA-ZWKOTPCHSA-N 447.052 4.694 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@](C)(C#N)C1)Oc1cccc(F)c1 1305814192 DBDQIXASKNBIPS-YADARESESA-N 437.519 4.973 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(CC)C2CCCCC2)nc2cc(Cl)ccc2c1=O 1307242385 JWNSCWAONMDTNQ-OAHLLOKOSA-N 434.005 4.898 30 10 IJEE CCOC(=O)c1c(NC(=O)COc2c(C)cc(Cl)cc2C#N)sc2c1CC[C@H](C)C2 1307357755 CEMMTORTZPLWLS-LBPRGKRZSA-N 446.956 4.901 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC[C@@H]3C[C@@H](C)O)c2C#N)C1 1307735689 HKUCIAOSHJQRJV-KZNAEPCWSA-N 431.646 4.725 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NCC3CCN(CC4CC4)CC3)c2)cc1 1310138043 BGUFJLFLIXRRBF-UHFFFAOYSA-N 432.568 4.575 30 10 IJEE CCSc1cc(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@H](C)C#N)ccn1 1314584769 GNTMVTQJJJOYBR-QGZVFWFLSA-N 443.580 4.644 30 10 IJEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)(F)F)CCCCC1 1315843408 DKXFIVJWMNGDLW-UHFFFAOYSA-N 435.494 4.802 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1348889452 RCPXZRUMMDVBQN-OAQYLSRUSA-N 437.378 4.753 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)cc(Br)c1 1357770257 DRCRJVNEGZKKNV-UHFFFAOYSA-N 425.095 4.626 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC(F)(F)C1 1359019014 IIRSMTOVUBGCHF-VQTJNVASSA-N 446.542 4.556 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@](C)(CC)C1 1359129370 ZWZKDATWTKNGLC-VWLOTQADSA-N 426.605 4.841 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@@H]1CC 1359149675 GCGHREKWJWOSNG-JQHSSLGASA-N 438.016 4.770 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1359175865 CRPIETJVMWIBJH-HXUWFJFHSA-N 441.938 4.923 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCOCC)CC1 1359176282 RSAVMZUAZBDYHS-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1359181197 JKLATWHJLUDJDO-VXKWHMMOSA-N 437.632 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1359238753 VNOXNKJRLVNTKT-WOJBJXKFSA-N 434.588 4.590 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cc1OC 1435383147 BIRDIJBCGGSIRL-PKNBQFBNSA-N 432.442 4.689 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 1437616112 HNWCMBZUBJCCAF-WIYYLYMNSA-N 433.581 4.673 30 10 IJEE C=C(C)CN1CCC(NC(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)CC1 1443522408 UUURGQHNCXNZIM-KQWNVCNZSA-N 426.507 4.985 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(Br)cc1C 1448049021 MNVUFNRMAAQBPW-CQSZACIVSA-N 435.721 4.871 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccc(F)cc2F)C2CC2)n(-c2ccccc2)c1C 1459308850 AKQWKRKGGRBTAP-UHFFFAOYSA-N 434.490 4.847 30 10 IJEE C[C@H](NCc1cc(C#N)ccc1Br)[C@@H](OC1CCOCC1)c1ccccc1 1461352174 BMSFPIMUJNTVLJ-KSFYIVLOSA-N 429.358 4.736 30 10 IJEE C=C(C)C[C@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)C(=O)OCC 1462501001 JULSWXLKAGXXRE-HNNXBMFYSA-N 426.460 4.765 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1470663519 SJCYCWZLHNMJQQ-HXUWFJFHSA-N 433.980 4.693 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(C)nc2-n2cc(Cl)cn2)cc1OC 1474114854 NLXCJXILCHDCQN-UHFFFAOYSA-N 433.339 4.746 30 10 IJEE C[C@@](Cc1cccc(Br)c1)(NS(=O)(=O)CC1(CC#N)CC1)c1ccccc1 1475014265 HHOBBNXCSHEIEJ-FQEVSTJZSA-N 447.398 4.520 30 10 IJEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(CCCc4ccccc4)cc3)C2)nc1 1476087709 DLILAAJKMJBXID-XMMPIXPASA-N 426.520 4.814 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C 1476729215 RLNZYGMUULUMQQ-JXFKEZNVSA-N 444.373 4.656 30 10 IJEE C=CCSCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1478418723 SLZRDXVISOPARW-QGZVFWFLSA-N 435.590 4.854 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)[C@@H](C)CC)cs1 1498387179 BLFGOLLXOVXWGS-OXJNMPFZSA-N 438.601 4.533 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)c(F)c1 1507521227 LBIZAVXOMZNGEC-HUUCEWRRSA-N 426.536 4.916 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](OC)C(C)(C)C 1507544158 SMCFNPGFIIQDJX-GHTZIAJQSA-N 426.605 4.674 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1507580846 LWOWLCDUDDUWEX-QGZVFWFLSA-N 442.350 4.718 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2CCN(CC)CC2)CC1 1507879597 DYGQLGKYPFJQBA-UHFFFAOYSA-N 444.023 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1507912078 RSLAVSFNIOUDCB-FQEVSTJZSA-N 444.023 4.942 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1507931541 BOTXVKGLWCOBCP-NRFANRHFSA-N 425.483 4.553 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1c(Cl)cccc1OC 1508009098 XKHSOTLYRCBCLA-MRXNPFEDSA-N 444.988 4.746 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1508048079 WGOGDXNGAKNNMR-SSEXGKCCSA-N 440.638 4.835 30 10 IJEE C=C(C)[C@@H](NC(=O)COc1ccc(Br)cc1C(C)=O)c1ccc(F)c(F)c1 1523231978 LFHBJZHNGPJCBU-HXUWFJFHSA-N 438.268 4.742 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Oc1ccc(/C=C\C(=O)OC)cc1OC 1524298730 HBSZGQGUKACJKR-POHAHGRESA-N 436.382 4.684 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1538199434 SJDOJJSEIWQBEH-UZLBHIALSA-N 428.326 4.510 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12 1538572587 WWBQMYSEKZWMMY-QVKFZJNVSA-N 429.358 4.894 30 10 IJEE N#Cc1ccc(OCC(=O)OCc2cc(Cl)ccc2OC(F)F)cc1Br 1538777828 HECROXLHFYXIIA-UHFFFAOYSA-N 446.631 4.698 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1539102205 CPYFLGPOTIZVQC-UHFFFAOYSA-N 447.627 4.586 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@H]2CCCO2)CC1 1539497398 LUUFSCXYNDOVIJ-DHIUTWEWSA-N 438.641 4.582 30 10 IJEE CCOc1ccc(CN2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc1 1539568730 AXUQBHCJOOFZJP-UHFFFAOYSA-N 441.531 4.707 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1539595519 CQVUPDWYXBEEOK-RBUKOAKNSA-N 431.378 4.731 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C[C@@H](C)C1 1539601295 YUNRIIVEKMJVPF-BETUJISGSA-N 425.321 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCn1ccnc1C 1539654853 GATLMAZTSRLUNC-UHFFFAOYSA-N 443.393 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)c1cccs1 1539676877 XFTUFTNFLYAIIZ-XMMPIXPASA-N 440.613 4.846 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1O 1539783105 NRWLQOPHJMENID-UHFFFAOYSA-N 439.766 4.864 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539874195 KGGCEXUWNIWCAT-HSZRJFAPSA-N 449.643 4.871 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CC=CCO2)CC1 1539874989 SLRJCLSQPRGMLK-AUSIDOKSSA-N 438.572 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C(=O)OC)C1 1539906082 JDJHKLGTGPCYSC-SFHVURJKSA-N 442.629 4.877 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)[C@@H]2C[C@@H](OCC)C2(C)C)cc1 1540878202 RFQAOOCVUTUDSQ-DHIUTWEWSA-N 447.583 4.593 30 10 IJEE N#CCc1ccccc1CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1543411303 AAEUACKHPMQFPT-UHFFFAOYSA-N 425.410 4.818 30 10 IJEE Cc1ccccc1Sc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1545289669 FSTKEZXYWCYTJL-LJQANCHMSA-N 437.565 4.731 30 10 IJEE CCCC1(Cn2c(COc3ccccc3OCC)nnc2N2CCC[C@](C)(C#N)C2)CC1 1546935560 FBTZANDLWMIQQS-XMMPIXPASA-N 437.588 4.966 30 10 IJEE C=CCn1c(S[C@H]([C@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CCCC3 1559330802 QJCBRYDOSUCWFG-XHDPSFHLSA-N 430.517 4.582 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCCC1(C)C 1564515465 HATOPPOCBQNCCF-MJGOQNOKSA-N 437.506 4.583 30 10 IJEE C=CCC1(CNC(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)CCCC1 1564747947 NLRMDKRXPPWNKH-GOSISDBHSA-N 432.914 4.954 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)cc1 1565672442 ZLHBXEATHSXZDD-LLVKDONJSA-N 447.771 4.602 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC=C(F)C1 1566918943 DJEFTMKGZXYELL-XMMPIXPASA-N 434.511 4.946 30 10 IJEE C=CCc1cc(C(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)cc(OC)c1OC 1584576953 VMEFPYLYRFRFAK-UHFFFAOYSA-N 430.526 4.585 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCC1(C)C 1587620851 LSDNLKGHZJQHPT-RTBURBONSA-N 446.599 4.520 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCCN1CC 1587909116 CYTOOXDCMIGAMD-PZJWPPBQSA-N 444.023 4.632 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC1CCC(F)(F)CC1 1588549923 BYPYGLOQKIGPAZ-FQEVSTJZSA-N 446.517 4.777 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC1(SC)CC1 1588559038 CVEKEORWDQFGGI-UHFFFAOYSA-N 426.586 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3ccccc3o2)n1CCCNC(=O)OC(C)(C)C 1589171310 AOJPNVKJXRYWBM-RUZDIDTESA-N 449.555 4.598 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=CCC1 1589317069 KHBJGAUFYXNWQV-UHFFFAOYSA-N 438.167 4.691 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(CN2CCCCCC2)CC1 1589544212 GAWVQUGRZYNVBG-UKILVPOCSA-N 443.680 4.550 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1589545627 OHLBUOKBTNYKNW-MFEFFIJZSA-N 430.543 4.860 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)C[C@H](C)c1nccs1 1589559757 ULUJUIWZVIYXKZ-DSKINZAPSA-N 429.634 4.688 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1594209462 XFWQIAOWWLDCHQ-QFBILLFUSA-N 445.405 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1594527779 BFCZTFPHKMRMLX-RBUKOAKNSA-N 449.640 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1594528636 LMCFBXMKINUTBL-SFTDATJTSA-N 428.552 4.746 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1594698612 UBWIVUUJQILEIC-GOSISDBHSA-N 449.393 4.544 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@](C)(O)c1ccsc1)C1CC1 1595027009 VRNZOIQVUMBMON-WAIKUNEKSA-N 442.560 4.681 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1595200553 IHMACGSLXDJCBU-DEOSSOPVSA-N 428.584 4.664 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CCc1csc(C(C)(C)C)n1 1595250374 CLRWWAUTCOKKKS-UHFFFAOYSA-N 425.602 4.980 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)o1 1595712449 CWKJCYOBWHNPMB-UHFFFAOYSA-N 443.547 4.762 30 10 IJEE C#C[C@@H](NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1)c1ccc(Cl)cc1F 1597001297 BRZOPPAYRZRVKX-HXUWFJFHSA-N 447.959 4.673 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC[C@@H]2c2ccsc2)cc1 1615172023 CHBKKJIXUPTKIL-JOCHJYFZSA-N 434.565 4.812 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 1616209497 UJEZJZQGNLJNKN-QZTJIDSGSA-N 445.387 4.783 30 10 IJEE C=CC[S@](=O)(=NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 1618589981 SJGGAZHFOFQZJQ-XMMPIXPASA-N 428.735 4.721 30 10 IJEE CC[C@H](c1ccc(F)cc1)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 1620555412 GDOIGYJDSORKTE-PXDATVDWSA-N 436.575 4.538 30 10 IJEE C[C@H]1C[C@@H](CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC(C)(C)C1 1622087122 AVGBYNHGXVRHMN-QWHCGFSZSA-N 431.371 4.591 30 10 IJEE C=CCCO[C@@H](C)C(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1625776614 JNXKUIUPEPINLM-JTQLQIEISA-N 427.204 4.538 30 10 IJEE CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1632052252 FNSXCQXEXIJHNM-UHFFFAOYSA-N 432.593 4.997 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCN(CC)CC)Cc1ccc(Cl)c(Cl)c1 1635445944 FUQVPEHCZGBVTJ-UXHICEINSA-N 428.404 4.580 30 10 IJEE C=CCCC1(CNC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CCCC1 1636901576 GBAZVMNSTYVVOD-FQEVSTJZSA-N 449.636 4.618 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)cc1OC 1640259522 KJYWSXPJQVWWRU-JARZOMNASA-N 426.944 4.569 30 10 IJEE C#CCN(Cc1ccn(-c2ccccc2F)n1)[C@H]1CCOc2ccc(Br)cc21 1653392368 WKKBSSPPNNJYAW-FQEVSTJZSA-N 440.316 4.733 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](CC)C(=O)OC(C)(C)C)cc1OCC 1657414169 OBQRISPTZAPTTF-MRXNPFEDSA-N 428.367 4.623 30 10 IJEE C#CCN(C(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1)[C@H]1CCCc2ccccc21 1663156479 JROQZOIZXHXRNI-CEYNDMKZSA-N 435.543 4.984 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 1665005493 CLNNTZVGNJJRSQ-IAQYHMDHSA-N 426.298 4.881 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)C1CC1 1665559414 HSPPQDOTNNIWGZ-FQEVSTJZSA-N 448.419 4.962 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)c2ccccc2Cl)cc1 1667423277 GCRMADSUPWVACB-OAQYLSRUSA-N 447.343 4.942 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cccc(Oc4ccccc4)c3)C2=O)cc1 1668434614 AZTYNSMGTGWMIQ-QHCPKHFHSA-N 426.476 4.668 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1 1668760810 NIGDWKFGBVHZRE-UHFFFAOYSA-N 429.948 4.523 30 10 IJEE CC(C)(C)c1csc(NC(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c1C#N 1672201788 ICBPKYVQJIEUDS-CQSZACIVSA-N 427.448 4.671 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(F)(F)F)c(I)c1)c1ccccc1 1673122728 SYSYLIKSXDKSIJ-HNNXBMFYSA-N 444.194 4.806 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)c1 1674875539 ANJUUNUQSPAERK-UHFFFAOYSA-N 432.242 4.908 30 10 IJEE C#CCN(C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)[C@H]1CCCc2ccccc21 1676325721 MZTWHZHTQJAYBL-MHZLTWQESA-N 445.607 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 1676890571 YHHBIROTQWUDBN-XXBNENTESA-N 444.959 4.578 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCc2c(Br)cccc21)c1ccc(Br)cc1 1676990543 PAOKNFLQBYOJLF-MSOLQXFVSA-N 448.158 4.873 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 1678964410 FUCMPBJMMVAKNG-DVECYGJZSA-N 428.536 4.882 30 10 IJEE CC(C)[C@H](CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccc(Cl)cc1 1682157653 FPBNSZRKMQWSJZ-NRFANRHFSA-N 428.939 4.622 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N(CCC(F)(F)F)Cc3ccccc3)CC2)c1 1682384347 BWWFUZOCYBJKQR-UHFFFAOYSA-N 444.501 4.687 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(Br)cc1 1684139537 FSAZTTHTWNRZOP-JOCHJYFZSA-N 440.385 4.859 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(C)cc2C)C1 1685180881 SASJOIDGNLXSBS-JOCHJYFZSA-N 439.987 4.988 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C)c1ccc(F)cc1 1686917837 WZSDKTIHWQHOKH-JRGCBEDISA-N 431.552 4.615 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1 1690085491 BJAGPXBPEYMCLN-OAQYLSRUSA-N 447.029 4.653 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1690305828 JHNHNQIEWNTJCS-IBGZPJMESA-N 440.588 4.572 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)CCC 1690306616 YVJCQOZZZUWHRF-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=C(C)COCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccccc1Cl 1690319952 DTJZZECJBVTCIN-QGZVFWFLSA-N 434.878 4.711 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC(F)(F)F)CC1 1690380958 XCFMRAHIEBVIFA-UHFFFAOYSA-N 428.886 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690422480 PXNDDJXVLKDLQR-JOCHJYFZSA-N 448.398 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690437608 JQWOZAKIVQGMLF-IRLDBZIGSA-N 426.605 4.937 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCc1c[nH]nc1C 1690515938 XPVBSCDYBAAWRC-GOSISDBHSA-N 442.995 4.975 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC(C)(C)c1cccs1 1690567715 MTGAGLMWDYNKQY-UHFFFAOYSA-N 449.624 4.632 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1cscc1C 1690569418 HHRUWVFZTZJKOF-LJQANCHMSA-N 426.561 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CCNC(=O)c1cccs1 1690576404 ZMZDWDFJURDHQD-UHFFFAOYSA-N 449.605 4.691 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)c1nc(C)cs1 1690607500 OAXZJBOSCCNEIY-FXAWDEMLSA-N 441.601 4.916 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCc2cccnc21 1705479288 HAOINPWTTBYCCW-APWZRJJASA-N 437.494 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC1(C)C 1705693900 LWDJLCPKXOHAMG-TZIWHRDSSA-N 437.588 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)cc1OC 1705699755 LKHZCLHNPZXJAI-REWPJTCUSA-N 440.588 4.571 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2C(F)(F)F)CC1 1705769898 IRJUERPBJKKMAN-UHFFFAOYSA-N 427.474 4.682 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 1705796973 NXUJWAVGOHNWAM-QPPBQGQZSA-N 449.643 4.675 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705812629 GYSUXNXMADQSSZ-HNNXBMFYSA-N 427.902 4.638 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705813429 HPTRYTZTCOCIRS-BTYIYWSLSA-N 437.371 4.602 30 10 IJEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1ccc(C)cc1 1705819483 MGHWLHSJUZHPHK-HXUWFJFHSA-N 441.576 4.629 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2C)C1 1705825735 BQQKYHPWEAIFDR-HXUWFJFHSA-N 437.975 4.889 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1cccnc1OCCCC 1705839181 QGDRWXLBRGXVCN-UHFFFAOYSA-N 428.540 4.738 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705879803 LRDXUJQHGPTAHR-ZYLNGJIFSA-N 426.605 4.636 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@H]2CCCCO2)CCS1 1706344570 BFJYXJYDAMUKKL-YADHBBJMSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(OCC)CCCC1 1722277014 LAAHIQANZHSVSY-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1722330060 PLYSBMIULXSQRK-RTBURBONSA-N 442.629 4.876 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1cccnc1)C(C)C 1722406591 RYRBLUJCXQMCPD-NRFANRHFSA-N 439.510 4.841 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOC)CCC1 1722407600 ONJNZVCIMORNDN-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H]1CCCN1C1CCCCC1 1722417255 BBQLDTSOTOSUHZ-DEOSSOPVSA-N 437.607 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nc(C2CC2)cs1 1722517554 UGUWJYFASOZUKK-YLJYHZDGSA-N 429.634 4.981 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)CC1 1722565875 DRWCFBJSSGVQRN-SLFFLAALSA-N 429.609 4.766 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](c2cccs2)N(C)C)CC1 1722569400 YPTCXASXVYFQJU-JOCHJYFZSA-N 435.641 4.974 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)c2c(C)noc2C)CC1 1722583255 TVIADSDZPUYAEW-GOSISDBHSA-N 435.572 4.976 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC2(CCC2)C1 1722622967 WNKNWUWSLFPYIU-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCc1c(C)noc1C)C1CC1 1722648001 GBBTYQQUWPQEJD-UHFFFAOYSA-N 442.361 4.710 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(OCC(F)(F)F)nc1)C1CC1 1722648122 JUFJOWTXMIWNOQ-UHFFFAOYSA-N 443.473 4.793 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722655303 BATMFQMSMYGIKK-LJQANCHMSA-N 427.593 4.755 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CC[S@](=O)C(C)(C)C 1722657122 RTWUBDGUUKUKDQ-HKBQPEDESA-N 439.629 4.547 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCc1scnc1C 1722659908 HBLRONSEIQMQTJ-IBGZPJMESA-N 441.576 4.511 30 10 IJEE C=CCn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722689370 PJCCWDDNQUFHPO-OIISXLGYSA-N 447.530 4.710 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1722732877 RNDLDJCFJPKIJF-NHCUHLMSSA-N 427.662 4.812 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1sccc1Br 1723268955 AOGRJCDARILAJB-UHFFFAOYSA-N 444.402 4.857 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)[C@H]1C 1726626548 CKOXBLLJQBOKFK-GJZGRUSLSA-N 427.961 4.727 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1730760821 BLKRKVCBRYJMOV-HZPDHXFCSA-N 439.457 4.744 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CC)C1 1740713317 CCAUJPPWFBEQSO-INIZCTEOSA-N 433.419 4.700 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)CC 1740752779 ASIXYJUAXNTWFC-XJKSGUPXSA-N 425.396 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)CN1CCOCC1 1740769215 HIWIRMJRDFGYCL-NRFANRHFSA-N 439.648 4.613 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc(C)c(OC)c1 1740924244 KZVXNONHYAFIOM-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCC(F)(F)C1 1748687068 BEECCVUTDGEETC-MOPGFXCFSA-N 446.542 4.929 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1748710450 PZQZUURIRNHTIW-HXUWFJFHSA-N 443.389 4.690 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1748724026 HPVCUEDJIKKXIN-SIKLNZKXSA-N 447.410 4.989 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CCC)CCC1 1748923086 SUAGXTZZJJLPSK-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](OC)C(C)(C)C1 1749085366 AXAMHKQPYPFPAU-MSOLQXFVSA-N 433.394 4.590 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1749304943 LRDONGJMEQFCSO-GOSISDBHSA-N 437.613 4.993 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749366735 KQSGPSXXPLAXSU-PMACEKPBSA-N 445.652 4.501 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccco1 1749552629 HHPAHBMCSRMORQ-UHFFFAOYSA-N 431.521 4.624 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749552859 BZVCLGZUTYGGDH-ROKPMTFOSA-N 443.661 4.547 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1749687426 RVEBLPVRPVMVSM-DHIUTWEWSA-N 447.583 4.593 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2=CCCCC2)C1 1749694905 XNCIXCIRKRCRHV-HSZRJFAPSA-N 449.599 4.819 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCSC(C)(C)C1 1749751955 FWFUEHCKYIAMLS-UHFFFAOYSA-N 441.626 4.851 30 10 IJEE Cc1cccc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1751631302 IEBRPXCHXZYQGW-DFBJGRDBSA-N 448.546 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccs1 1760338859 WJFFLHULTFHEIZ-SFHVURJKSA-N 445.633 4.905 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C)c1 1760349391 JUJAEZHFUORUFK-FQEVSTJZSA-N 425.577 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1760410718 ONCCUYXMLNQGPC-JTHBVZDNSA-N 448.615 4.885 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1760416653 JNIHCTBKQWHFNL-NRFANRHFSA-N 435.616 4.959 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1c(C)nn(C)c1C 1760484736 JGMMVSIAICAOGV-UHFFFAOYSA-N 436.579 4.741 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nccc(C(F)F)n1 1760491625 NWBQYWBSSZDHKW-UHFFFAOYSA-N 434.853 4.692 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1cnccc1OC 1760499511 ACFZPCZGFXQVNV-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C1 1764331992 BZMPMMSCJNCYQB-ZJSXRUAMSA-N 434.613 4.808 30 10 IJEE CO[C@H](Cn1c(N2CCC(Oc3cccc(C#N)c3)CC2)nnc1C(C)(C)C)C(C)(C)C 1768141166 DUMGJCKGJCTJEK-OAQYLSRUSA-N 439.604 4.556 30 10 IJEE CN(C)c1ccc(/C=C2\SC(=NN=Cc3ccccc3F)N(Cc3ccco3)C2=O)cc1 1772759808 ZHWDOWVBCOARNR-SRUQFNRKSA-N 448.523 4.991 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 1861203141 URNRIHJQLMNCAM-CTNGQTDRSA-N 436.040 4.533 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2Cl)cc1C 1862402846 IQTNREAFRKHMKZ-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C(=O)O 1862446945 DVPXFCBIBBWHFU-LJQANCHMSA-N 427.884 4.807 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862453606 DQCOEPUYCCDBAO-FQEVSTJZSA-N 429.900 4.734 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(O)c1 1862531801 BUAIVEUBPSPYQT-QHCPKHFHSA-N 437.536 4.740 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2Cl)cc1 1862535534 FBWNPPYFWPVWFU-UTKZUKDTSA-N 425.912 4.660 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862557616 KWOZYHZPNJFVEA-IVZQSRNASA-N 443.459 4.517 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(F)cc1F 1862560644 KDWVVHBQLOGABK-DYHNYNMBSA-N 426.463 4.704 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862584339 WKOJWJRWPZWTSD-YPMLDQLKSA-N 436.291 4.781 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1Cl 1862684098 YRPZWUZVLZZPJH-GOSISDBHSA-N 438.282 4.747 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862691339 KQPSVSSAKNYDPY-QFIPXVFZSA-N 449.503 4.695 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1F 1862735259 GQLPBWCHPJJBBN-HXUWFJFHSA-N 426.444 4.893 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3cccnc3)C2=O)c1 1863387829 AGJNULGGQGFLOE-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(F)cc2)C1=O 1863507452 QEMMKIHTHYULHI-OAQYLSRUSA-N 430.564 4.815 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(Cl)cc1Cl 1864249646 WILXNYMGAQEIHE-QGZVFWFLSA-N 449.382 4.549 30 10 IJEE O=C(N=C1NN=C(c2ccccc2)CS1)c1nc(Cl)c(Cl)c(Cl)c1Cl 1865963627 ZHKHUJDGSASCJG-UHFFFAOYSA-N 434.135 4.932 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)c1ccc(C(F)(F)F)cc1 1870107864 BUJXMGATGODNRV-UHFFFAOYSA-N 440.212 4.776 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)/C=C/c1cccc(F)c1 1870158077 UDSITGDYMINYFJ-OUKQBFOZSA-N 439.450 4.509 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CC)CCc1ccncc1 1870348603 DVMUEPZQDDZRJD-UHFFFAOYSA-N 444.579 4.559 30 10 IJEE C=CCOc1cn(CCCn2ccnc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1870813787 CLIMKXFIFWYQJR-UHFFFAOYSA-N 433.339 4.619 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871251163 QSYCRVBSFPLIKE-UHFFFAOYSA-N 445.563 4.955 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871251431 DWKGDUVKBQCIKE-UHFFFAOYSA-N 431.536 4.681 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccncc1)C3=O)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 1871358713 ATTKMPZTCRUOBI-NYIGAMSJSA-N 448.906 4.545 30 10 IJEE O=C1/C(=C/c2cccc(F)c2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 1871379542 UGVPSPVUIWGFJV-JJFYIABZSA-N 428.371 4.768 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc(OC(C)=O)cc3)c2C)C1=O 1871381721 DLYPUMWYAVLUBM-UCQKPKSFSA-N 444.439 4.764 30 10 IJEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871383396 JFPAYQAHJPVGMG-JCMHNJIXSA-N 445.427 4.894 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(Br)c1)S(=O)(=O)CCCC 1872002151 ALGUVORODQDFDI-SFHVURJKSA-N 445.423 4.564 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872131496 ZAVDVPQDPDFFBB-HSZRJFAPSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCC 1872289291 RKEDNZFZCQABHV-QHCPKHFHSA-N 449.661 4.648 30 10 IJEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NS(=O)(=O)c1ccc(OCC)cc1 1872612373 CGXQLEMFHMXQNF-HSZRJFAPSA-N 440.650 4.789 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3Cl)n2)c(OC)c1OC 1872788974 VSQILANKZGYVPK-HNNXBMFYSA-N 442.924 4.908 30 10 IJEE CN(C)C1CCN(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)CC1 1872800355 RJHDJQGMJXPZSJ-JOCHJYFZSA-N 444.604 4.679 30 10 IJEE CCOC(=O)c1sc(C2=C(N)N(c3ccc(C(C)C)cc3)CC2=O)nc1-c1ccccc1 1873527728 NWJUAPZRNZZHAR-UHFFFAOYSA-N 447.560 4.827 30 10 IJEE C=CCn1c(C(=O)N(CC)CCc2ccncc2)cc2c(N(CCC)CCCC)ncnc21 1873562276 VKAXRTYVNQJMBB-UHFFFAOYSA-N 448.615 4.734 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCCCOCC)ncnc21 1873605261 SAGKABAPRKNUTO-UHFFFAOYSA-N 427.936 4.670 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(OC)c1O 1874245168 WJRDGMRSWZYJCZ-MFKUBSTISA-N 438.597 4.912 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)cc1 1874293100 NJITXFKOBHWLDO-CVKSISIWSA-N 445.548 4.744 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)c1 1874310385 SSJVJUUPWJURFQ-YZSQISJMSA-N 429.549 4.641 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1[C@H](C)c1ccccc1 1874401897 ZBZMSZVIFIMIRY-RUDKWAFVSA-N 436.581 4.912 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2O)cc1 1874452697 IZDDQYQTUYZVPY-MFKUBSTISA-N 449.580 4.817 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccco2)c1 1874465476 LAOIUENEMNOJCM-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE CC(C)c1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc2ccccc12 1874516717 CXZHVGUGAKLUSN-JVWAILMASA-N 443.576 4.845 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)c1OCc1cccc(Cl)c1 1874560369 UMLCHLSMGCXIFJ-KCDOPAPYSA-N 444.944 4.542 30 10 IJEE COc1ccc(CCc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2)cc1 1874564988 ADZMJDNBHZKATL-YZSQISJMSA-N 444.560 4.822 30 10 IJEE CCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccccc1Cl 1874568824 SRSSNSJHQXIKGR-HZHRSRAPSA-N 430.961 4.903 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c(OC)c1 1874588082 TXUGBYWTRFYCKL-VGOFMYFVSA-N 435.451 4.757 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1Cl 1874602718 ANGYGHSQPDZEMP-JXMROGBWSA-N 431.916 4.501 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)C(C)C 1874698992 XXTCLIWAUFUURD-MDZDMXLPSA-N 433.298 4.924 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1 1875143237 QBCCDLQGMYPSTN-PVHVJQTOSA-N 445.309 4.747 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 1894937746 GPWCQRWWONGCGF-SJORKVTESA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)CS2 1901458281 BKXXHECNYCDJIE-NRFANRHFSA-N 437.606 4.555 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)[C@H](CN)CCC12CCC2 1924924643 FOTXFPBVHBIONH-YCRPNKLZSA-N 434.378 4.992 30 10 IJEE Cc1cc(C#N)cc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951647791 JOBCXMPOZAAKTH-HSZRJFAPSA-N 426.472 4.574 30 10 IJEE N#Cc1cccc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952779124 JWTQMFVBERTNKR-NOZRDPDXSA-N 438.483 4.955 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2020139988 UXGSEOZRTAWCET-VFNWGFHPSA-N 436.557 4.852 30 10 IJEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2020324083 MGDPXJDHIJUMGJ-WZONZLPQSA-N 431.533 4.728 30 10 IJEE Cc1cc(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c(C#CCCO)s1 2039472975 ZRTKDWOLWSMCSC-UHFFFAOYSA-N 446.616 4.613 30 10 IJEE C=CCC1(Oc2nc(Cl)ncc2Br)CCN(C(=O)OC(C)(C)C)CC1 2064709088 OAMNZFNOGDOFII-UHFFFAOYSA-N 432.746 4.617 30 10 IJEE CCCc1ccc([C@H](C2CC2)n2nc(CC)c(C=NO)c2I)cc1 2080036932 XREMLVRMHCKCOC-GOSISDBHSA-N 437.325 4.810 30 10 IJEE CCc1nn([C@H](CC)c2ccc(SC)cc2)c(I)c1C=NO 2080103982 CIMBNYGRGPAUCZ-OAHLLOKOSA-N 429.327 4.580 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CCOC)CCN(C(=O)OC(C)(C)C)C1 2082290146 ZHTIUZPVYVWDMX-OZXSUGGESA-N 446.632 4.791 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(Br)c1F 2102883679 FXGBAGICDQBFFS-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1c(F)cc(Br)cc1F 2114280839 FHTRAGZRBNQMQF-VQTJNVASSA-N 426.301 4.512 30 10 IJEE CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2118198914 MEHVWDZTOPZXRJ-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)CN(c1cc(Br)c(C#N)cc1F)C2(C)C 2174807424 BNLURBSECJMKCV-UONOGXRCSA-N 438.341 4.542 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)c(Br)c1F 2174808364 NAHVBEBSUQTJAJ-FICVDOATSA-N 438.341 4.827 30 10 IJEE CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cc(F)c1C#N 2174808524 PFQWHGZAIPFRQV-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE CN(C(=O)OC(C)(C)C)C1C[C@@H]2CC[C@H](C1)N2c1cc(Br)cc(F)c1C#N 2174808875 SUHUIBADTZSLLB-YIONKMFJSA-N 438.341 4.827 30 10 IJEE C[C@H](C(=O)Nc1cc(Br)ccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2187944207 MABVZVDXKOEVMR-ZDUSSCGKSA-N 436.350 4.542 30 10 IJEE C=C([C@@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(F)(F)F 2229125124 XVRIAYXITQWKGW-LSDHHAIUSA-N 437.300 4.591 30 10 IJEE C=C([C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(F)(F)F 2229125324 CVKVIWYGLDCZDQ-GJZGRUSLSA-N 437.300 4.591 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1ccc([N+](=O)[O-])c(Br)c1 2229393328 OOSRUKADCUGPDW-SFHVURJKSA-N 429.311 4.843 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C1(CNC(=O)OC(C)(C)C)CCCCC1 2235724518 IKGLVVKHEJJNBV-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](O)C#Cc1ccccc1Br 2235740374 OFXSOAQLYFMYLS-HBFSDRIKSA-N 436.390 4.691 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2247887437 OEIAOAVXIKLVLY-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3scc(Br)c3Cl)C2)OC1(C)C 2253628512 IIGHGXOJQSXCBI-UHFFFAOYSA-N 432.576 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)C(F)(F)C1 2264418055 HYDNDRKJVXJKLE-AWEZNQCLSA-N 434.256 4.516 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cc(Cl)cc(Br)c3)c2F)OC1(C)C 2266065762 MFOKRLVUUUTYBW-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC1(C)OB(c2c(F)cccc2C(=O)Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2281783010 FKJKLSOUJWGHDN-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C=CCC1(COc2nc(C)nc(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2287839617 WIYJUBSHAIXYHL-UHFFFAOYSA-N 440.382 4.828 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(N)C#Cc2cccc(Br)c2)C1 2296279320 NODPYLIBWGGMKI-YADHBBJMSA-N 433.390 4.699 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]12CC[C@@](C)(CN1C(=O)OC(C)(C)C)C2 2296311614 ZBNQVQXWLCWQDC-QIJUGHKUSA-N 433.390 4.568 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2297056582 JJLLUPBOYYXTQG-JOCHJYFZSA-N 428.444 4.525 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2OCCC)SC1=Nc1ccc(O)cc1C(=O)O 2314927018 XLYZBKBJFZASAD-UHFFFAOYSA-N 438.505 4.669 30 10 IJEE O=C(Oc1ccc(C=Nn2cnnc2SCc2ccc(F)cc2)cc1)c1ccccc1 2321242178 ITASGPGIMWPIKL-UHFFFAOYSA-N 432.480 4.811 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2CCc2ccc(Cl)cc2)cc1OC 2322115079 GOUPZHISCGVVNI-UHFFFAOYSA-N 430.961 4.685 30 10 IJEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(OC)c(C)c3)ccc2OC)o1 2323078708 VKBWAGPVDABQNA-UHFFFAOYSA-N 436.460 4.867 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(OC)cc4)c3C)C2=O)cc1 2325731442 RGTIBFQGDXDLFK-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(O)c1 2326020223 MPPPADBVCHJOTA-UHFFFAOYSA-N 428.945 4.809 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(O)cc1O 2326083890 HJJRHLMZTWCNSD-UHFFFAOYSA-N 444.944 4.515 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326668884 VDSXFYUPXOSWDC-UHFFFAOYSA-N 448.335 4.605 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c(O)c1 2330470956 OKUSGGDOSFWXRQ-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1O 2330493387 QNSIVLYUCKZRMC-UHFFFAOYSA-N 444.560 4.800 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1OC(C)C 2330616562 PMBLLUQSSLYBEC-UHFFFAOYSA-N 444.582 4.721 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331033083 CYQHOQAUOMIQAS-UHFFFAOYSA-N 442.424 4.749 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1C 2331084385 MBNKTOWTLUUMLI-UHFFFAOYSA-N 427.618 4.867 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)c(O)c1 2331225621 CABZRXLOOYVHCN-UHFFFAOYSA-N 426.885 4.777 30 10 IJEE CC(C)c1nnc(SCCCO)n1N=Cc1ccccc1OCc1ccccc1Cl 2331707072 DODJWCGBHWDAPD-UHFFFAOYSA-N 444.988 4.991 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339577212 PXVLBTZADDYZCG-LBEPJEHYSA-N 447.360 4.534 30 10 IJEE N#Cc1cccc(Br)c1Nc1cc(F)c(F)cc1I 2351712579 RMGNSWRLAHOTQV-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2360197419 LPXRXVYTVHKAPC-UFYCRDLUSA-N 435.406 4.862 30 10 IJEE Brc1cc(Br)c(/N=C2\NCCCS2)c(Br)c1 20586269 JSUZYZVHQIDABW-UHFFFAOYSA-N 428.975 4.688 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 35444344 ZXOAMJCJZFAKNM-QDGLUTFLSA-N 429.472 4.856 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F 40077119 SCGQAFXLKMXUBX-SFHVURJKSA-N 432.289 4.967 30 10 IJEE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(N)c1[N+](=O)[O-] 40587447 WNDDKYQDOMOUCG-CQSZACIVSA-N 429.267 4.981 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)cc1 41354488 GQKNNERGPJXDTF-NDENLUEZSA-N 434.469 4.607 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cccc(F)c2)n[nH]1)c1ccc2ccccc2c1 59021981 RTXRIFYGVPMMGK-WGARJPEWSA-N 434.500 4.664 30 10 IJEE COc1cc(/C=N/Nc2nnc3c4ccccc4n(C)c3n2)ccc1OCc1ccccc1 64981384 NTMZHSVJWYVHNN-CVKSISIWSA-N 438.491 4.550 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 102614632 BRYDCVOPMVJTDJ-IEBSEZQLSA-N 427.287 4.640 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2cccs2)[C@H]1c1ccc(C(C)(C)C)cc1 102732596 AUBOCHNEOREIQI-SADKCHQCSA-N 440.609 4.809 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1 103226500 HSYQGXQUIWRJOP-QQYUXEJHSA-N 442.515 4.836 30 10 IJEE COc1c(Br)cc(/C=N\n2c(SC)nnc2C(C)C)cc1Br 169915793 PHFWYHAIYYKSBH-IDUWFGFVSA-N 448.184 4.539 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc3ccccc23)c1 170045873 LNBTWUGSDJQNEU-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C(=O)O)cc3)[C@H]2c2ccccc2)cc1C 170051162 WVUOGSUQKSYZRS-QHCPKHFHSA-N 441.483 4.780 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 170052670 RXLOEUHUWCRMBC-QFIPXVFZSA-N 444.443 4.776 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 170083510 QXTRCLASLRGGHB-FQEVSTJZSA-N 445.862 4.705 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2)c1 170118170 RSMHOCWMHLLASX-FYSMJZIKSA-N 441.483 4.802 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 170131723 SOPFWYVRUGFYJP-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170135378 KLOMFIHEHVKZGO-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE CCN(CC)c1ccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)c(C)s3)=C2N)cc1 170179229 ULOBEQFRVOJVPL-UHFFFAOYSA-N 432.593 4.990 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)cc1 170184920 GWSKFSUFCIBAOL-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1sccc1C 170313059 BGVUYJXABOKRAL-QGZVFWFLSA-N 431.897 4.681 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1cccnc1 170317019 SAICOYUKAHHAKJ-VFNWGFHPSA-N 446.528 4.553 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC)c1 170324472 CUSKIYRJFZAZTI-WAIKUNEKSA-N 433.504 4.563 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccs2)ccc1O 170414472 JEDAGCCFTQNRLF-OAQYLSRUSA-N 435.501 4.631 30 10 IJEE C=CCN(C(=O)/C=C\c1ccc(OCC#N)c(OC)c1)c1nc(-c2ccccc2)cs1 208738302 KDXIPMSOZSUFOK-BENRWUELSA-N 431.517 4.953 30 10 IJEE C=CCOc1ccc(CN[C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)O)cc1 426737409 NQXLXOQQUAXZRZ-HXUWFJFHSA-N 428.941 4.814 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 435352858 CFSNXJFXOSTJSF-CRAIPNDOSA-N 437.487 4.843 30 10 IJEE CCCc1c(NC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cnn1-c1cccc(C#N)c1 439681455 ALPXVSARPVICFL-SFHVURJKSA-N 439.523 4.765 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCc3cc(O)nc4ccccc34)cc2F)c1 443915124 KZTLQUNEDMBSQS-UHFFFAOYSA-N 442.450 4.852 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)c3ccc(Oc4ccc(F)cc4F)cc3)CC2)cc1 483167816 QPKJTWIRVIGEQA-UHFFFAOYSA-N 447.485 4.977 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 508957015 VZJTVISRYPGYQV-JTSKRJEESA-N 440.494 4.769 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccc2OC)c1 526519776 FAGRPIOTWDMPSF-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COC(=O)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607648 SBUAFYWTJDXYAK-JOCHJYFZSA-N 428.419 4.541 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526810914 SPSVSXKYLMRUDM-KSEXSDGBSA-N 430.961 4.999 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 543917755 OHRGOOCMFMQJEL-MRXNPFEDSA-N 440.503 4.633 30 10 IJEE C=C(C)Cn1c(COCC)nnc1N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 549657206 ZENVOZDYCQTBGE-LJQANCHMSA-N 442.608 4.671 30 10 IJEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(F)(c2ccc(Cl)cc2)CC1 555238080 BTSZPNSKUAPPOQ-KRWDZBQOSA-N 436.959 4.697 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 562288974 TVJFDDHTTMJNKD-QGZVFWFLSA-N 447.276 4.540 30 10 IJEE CC(=Nc1cc(C)ccc1O)[C@H]1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 575731583 JDYBYIQHSNNLSZ-MRXNPFEDSA-N 432.427 4.984 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 580376089 LJZWPBIBANPKHN-FQEVSTJZSA-N 442.913 4.628 30 10 IJEE O=C(N[C@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1ccc2cc[nH]c2c1 585853991 UNCYBKKWMWWRCS-SJMRULAFSA-N 442.346 4.608 30 10 IJEE C=CCN(C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl)c1nc(C(=O)OCC)cs1 610172760 BLUSOKHATMKPDG-UHFFFAOYSA-N 449.960 4.791 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670207836 OBIJLGSCFWHPCA-JOCHJYFZSA-N 434.588 4.705 30 10 IJEE C=CCC[C@H](C)Nc1cc(I)cc(I)c1 690397391 YFGFEOKSRITPEZ-VIFPVBQESA-N 427.067 4.662 30 10 IJEE COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(COS(C)(=O)=O)c2)cc1 725429992 HCIXOOZYLISQRS-UHFFFAOYSA-N 434.460 4.696 30 10 IJEE COc1cc(-c2nc(COC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cs2)ccc1O 733460824 RDVRYHKVPLAHTN-OAQYLSRUSA-N 438.505 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 767230451 LZZSADXRNCDUBX-QHCPKHFHSA-N 446.551 4.623 30 10 IJEE O=C(/C=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccc(C(F)(F)F)nc1O 777467233 IUPVPEPDMJEMIF-XVNBXDOJSA-N 441.331 4.966 30 10 IJEE CCOCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C)(C#N)CC1 802615680 FPGBUQMSXPRMFR-UHFFFAOYSA-N 446.599 4.909 30 10 IJEE Cc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3cc5ccccc5nc3O)CC(=O)O4)C2=O)o1 1081803909 NCLUYZSTWPIDQM-LASGFXPTSA-N 439.423 4.899 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c(OC)c1 1125084005 NGYANNOXGCDRLO-UHFFFAOYSA-N 443.565 4.947 30 10 IJEE C#CC[C@@H](NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21)c1ccccc1 1127325849 BUNZQTPBBRJHLD-GOSISDBHSA-N 428.458 4.763 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 1130905386 YNDQDCMRKIMYIT-AUSIDOKSSA-N 426.582 4.767 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 1136168457 BCXBWBAJUCTDRZ-DNVCBOLYSA-N 427.570 4.602 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)c1 1136388835 FNMLTNOHZKZNCL-UHFFFAOYSA-N 436.533 4.921 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(Cl)c(Cn2c(C)nc3ccccc32)c1 1136807303 PWSOBGVFYHPCQI-UHFFFAOYSA-N 431.883 4.579 30 10 IJEE CSCC[C@@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)NC(=O)OC(C)(C)C 1142548125 CGIQMOXMSHIOGP-FQEVSTJZSA-N 433.618 4.579 30 10 IJEE COC(=O)c1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1C#N 1168095773 ANWIWONJJYAXCA-HXUWFJFHSA-N 446.334 4.645 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O 1182310709 CHDYIDUIBRDUKQ-UHFFFAOYSA-N 435.698 4.682 30 10 IJEE COc1ccc(C[C@H]2CCCN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)C2)cc1 1194533597 FIIRXENQMOTGBN-OAQYLSRUSA-N 439.987 4.858 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(I)cc1F 1207508565 MWGJTCSANCKDOE-UHFFFAOYSA-N 435.240 4.522 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)CC(C)(C)C3)cc21 1220204380 LIEQOKSQUVCJDV-IBGZPJMESA-N 441.576 4.770 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](COc1c(C)cccc1C)C(C)(C)C 1224091380 BQSFUPLXQAMVDG-JOCHJYFZSA-N 428.573 4.970 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC(C2CCCCC2)C2CCCCC2)C1 1225936630 FJBGCNFTVRTZTL-VQTJNVASSA-N 432.609 4.574 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1)c1ccc(Cl)cc1F 1252479705 ROCACEHRCZTEEI-OPAMFIHVSA-N 425.935 4.779 30 10 IJEE CC(C)n1nnnc1-c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1F 1266566226 GMNGTFOXIPPGRW-UHFFFAOYSA-N 426.455 4.851 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)C(F)(F)F)cc1 1272452558 ARXVZCPFUUOFAY-FUHWJXTLSA-N 425.765 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1=CCCCC1 1286298237 HMVAOUQHZRTYSF-LJQANCHMSA-N 441.620 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286424824 MQMIGFOJYPDXRQ-FUDKSRODSA-N 446.595 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCc1nnc2n1CCCCC2 1286569523 UCMOPZGCRNVNSI-UHFFFAOYSA-N 439.995 4.562 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCC(C)(C)C2)CC1 1286637279 ANPJKHNVVCHBGU-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC2(COC)CCCC2)CC1 1286649798 RJHOHSWQFLIKIX-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1286659535 SWTGZFOOERORCD-OYRHEFFESA-N 439.623 4.778 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCN2CCCC)CC1 1286662496 MXTJQEPNMFVTIQ-JOCHJYFZSA-N 427.662 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1286721026 QOUQTGOXOQRZEC-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)c1ncc(C)s1)C1CC1 1286739728 MNWCTAGQWJEEJR-HNNXBMFYSA-N 427.549 4.720 30 10 IJEE C=CCN(c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCC1(F)F)C1CC1 1286739917 UFDLJZIMIGSEDJ-KRWDZBQOSA-N 432.515 4.846 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1286740230 GDUKPJPVXOIKJR-SFTDATJTSA-N 439.648 4.798 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCc1csc(CC)n1 1286748615 XUZAYKUHQDTNAT-UHFFFAOYSA-N 436.560 4.867 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1286776789 ANZDIFLKGASFNX-TZIWHRDSSA-N 426.605 4.982 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cn2ccsc2n1 1288513000 BTIFGBZAZOZPTH-LBPRGKRZSA-N 446.367 4.748 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1300742555 NIOSTSWZFFPAQR-HSZRJFAPSA-N 448.640 4.529 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C)CC1 1300889895 RZHCQZJVRNLLBI-PNCHPQGNSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCN1CC 1300905037 JRJNKXGTYAYVIS-HNNXBMFYSA-N 438.439 4.656 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1301086509 KGPUVCRVYLXKPV-JPYJTQIMSA-N 430.543 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1301140879 DUXUAMGHGLMSTP-FQEVSTJZSA-N 437.632 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@]1(OC(C)C)CCOC1 1301158539 IELBTJNDWWVKJT-DEOSSOPVSA-N 430.568 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCO[C@H]1CCCC[C@H]1C 1301278438 MDWAQGKVDBILGD-CABCVRRESA-N 439.423 4.987 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(C)Cc2cccc3ccccc23)c1 1301291514 MLJQUNYDCPPUTK-HHHXNRCGSA-N 445.584 4.874 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 1301315812 BEHNWOBCNMRLFY-FXAWDEMLSA-N 430.499 4.683 30 10 IJEE C=CCN(C(=O)c1scnc1C(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352004087 OPKKVNHVCWOISK-UHFFFAOYSA-N 447.607 4.626 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1358935555 MSHMGDZRTGQKNY-HXUWFJFHSA-N 442.972 4.808 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)c1ncc(C)s1 1359000608 AIDKPOOGDVDTFJ-NVXWUHKLSA-N 427.549 4.585 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1nnc(C)s1 1359003437 KRTDLJWQVHXTAX-UHFFFAOYSA-N 440.642 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1OCCC1(C)C 1359063968 HYDIAMSCGCLAFQ-VWQFJMCTSA-N 442.991 4.879 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1359139855 GTAOMEBGTINXPA-UHFFFAOYSA-N 425.458 4.676 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1359194687 ZTKATDGJKVIYAV-PKTZIBPZSA-N 437.632 4.800 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359209196 FDADMQVPCVOHIE-VQIMIIECSA-N 445.995 4.914 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359223799 WLQPHZSPNWJGMV-NFBKMPQASA-N 437.632 4.508 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC(OC(C)(C)C)CC1 1359224119 HCBHANPZIXGDPN-UHFFFAOYSA-N 449.599 4.870 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(OC(F)F)c1 1359232537 XCOWVGFCBAQIBW-QGZVFWFLSA-N 443.498 4.702 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1n[nH]c(C)n1 1359267913 XDBNEXMSCQRJLZ-UHFFFAOYSA-N 439.976 4.661 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@H](C)C1CCC1 1359342855 GISWUWHJALUBSW-DYESRHJHSA-N 428.602 4.725 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)c1 1435004794 KTUJAKUAIHKGAV-HXUWFJFHSA-N 440.565 4.537 30 10 IJEE CC[C@H](C)n1ncc2c(C(=O)OCc3cc(Br)cc(C#N)c3)cc(C)nc21 1436077832 FJUKKKGEXOXDKN-ZDUSSCGKSA-N 427.302 4.702 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2COCc2ccccc2)CC1 1440680820 DKWUWTLVRSSFQU-SANMLTNESA-N 443.522 4.565 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 1447650869 CDPMXFSUNDGCFP-DHLKQENFSA-N 432.520 4.745 30 10 IJEE C=CCOc1ccc(OC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1456886151 VUWJOBOXJIIQHN-GCJKJVERSA-N 431.891 4.948 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 1460087800 GPCLNLPWWBUKHU-UHFFFAOYSA-N 429.423 4.529 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H]1n1cccn1 1460147920 CVKDEIUDQSDIEZ-XJUOHMSHSA-N 446.576 4.833 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1c(Cl)cc(F)cc1Br 1463561656 PCYXWNTWCSVTFB-UHFFFAOYSA-N 448.741 4.940 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)OC)c(F)cc1Br)c1ccc(Cl)cc1 1465726741 HEPOBSHCOLIGHS-HNNXBMFYSA-N 439.668 4.524 30 10 IJEE COc1cc(Cl)c(Cl)cc1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1466165579 CSHGPVCWQAASOF-UHFFFAOYSA-N 435.311 4.780 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1ccc(Cl)cc1 1470662234 GPKKFZHDSYKGDQ-OALUTQOASA-N 433.980 4.739 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1476040302 GMWPLARDEJSYCI-GUDVDZBRSA-N 442.560 4.503 30 10 IJEE N#Cc1cc(NC(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)ccc1Oc1ccccc1 1476463164 FYVBJYQMDBZGFF-NRFANRHFSA-N 448.523 4.969 30 10 IJEE C=CCCC1(CNC(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)CCCC1 1478966261 NOZFZSONWLVAEJ-QGZVFWFLSA-N 428.495 4.613 30 10 IJEE CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1)OC 1496507454 DDDWPCIDJPGWGA-AUSIDOKSSA-N 443.567 4.682 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1scnc1C 1507555443 ABJJMEXTARUBMY-UHFFFAOYSA-N 429.977 4.812 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC[C@H](SC)C1 1507576547 XFQVIYJVXRAXLE-UGKGYDQZSA-N 442.629 4.952 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CCC2(O)CCC2)CC1 1507880015 ZAUHHACJBYYZOP-UHFFFAOYSA-N 440.588 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCOC[C@@H]2C)CC1 1507897858 UAHBGQHTGYKUAE-CMKODMSKSA-N 428.552 4.632 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1507931779 HGFBVOBUSOOLCI-UHFFFAOYSA-N 439.579 4.812 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](N2CCCC2)C1 1507954023 OWWINAOLNCGWNC-FQEVSTJZSA-N 441.645 4.610 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507955936 WPAOKGXEHORXOW-UHFFFAOYSA-N 444.505 4.655 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(C)CCCS1 1507973308 ZGRTWXKHRIUBGZ-LJQANCHMSA-N 437.407 4.624 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC=CO1)C1CC1 1507988247 KWCUHFDGSGYVAU-QGZVFWFLSA-N 445.361 4.564 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1Cc1cc(C)nn1C 1508008468 FPAQDAYFSRPDKA-UHFFFAOYSA-N 438.988 4.943 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)C(C)C 1508011001 JSKSOOZXJIHKIO-SDHSZQHLSA-N 449.643 4.649 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2csc(CC)n2)cc1 1508101137 VDBKVTDEIGAQIW-UHFFFAOYSA-N 448.596 4.552 30 10 IJEE Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCc3cc(C#N)ccc32)cc1 1525149283 DDUYIPNNVYFGBO-UHFFFAOYSA-N 427.529 4.800 30 10 IJEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1529439744 CZPLFFOUBUCKOB-GCJKJVERSA-N 434.536 4.720 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@]1(c2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)C1 1535722876 ZZAPMMBHNPYDMN-AZSVPQILSA-N 434.580 4.915 30 10 IJEE C#CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CCCc2ccccc21 1536280262 UGVUXEARPCWFCJ-QFIPXVFZSA-N 434.337 4.788 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccn1 1538645569 BTFORVDQNFFKIU-RUZDIDTESA-N 441.531 4.571 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1539096002 OTXWDBIWMSLOGZ-FXAWDEMLSA-N 435.597 4.794 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CC1(C)C 1539402350 ALKCDNHFBQBULG-SFHVURJKSA-N 438.572 4.945 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCC1(C)C 1539505296 VLGLQWYFDOEIPR-UHFFFAOYSA-N 436.581 4.862 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](SC)C(C)(C)C 1539567278 UYWDHUVGGQFNHH-GBXCKJPGSA-N 426.630 4.935 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC)(CC)C1 1539619966 IUBRGDQNMLZKKD-TZIWHRDSSA-N 439.560 4.851 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)cc1 1539683826 BQIAQQKTPWEJKQ-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)C1CCCCC1 1539706597 LXSCUUZQKUMROB-ICSRJNTNSA-N 447.624 4.568 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1539803237 HIZWBKYPSPJPTE-IBGZPJMESA-N 430.980 4.522 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2ncc(C)s2)CC1 1539896667 QFBWBVCDIXRHNF-INIZCTEOSA-N 441.576 4.967 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Sc2ccccc2)CC1 1539898316 RIUHGNVICNUBKY-FQEVSTJZSA-N 436.629 4.723 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccco1)c1ccccc1 1539948101 OEEVLAPHBBJAGQ-QFIPXVFZSA-N 430.556 4.729 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1539974695 FIWDRRHROZAWQR-FCHUYYIVSA-N 442.629 4.619 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1540059140 OCHMKAZYFWDNOE-OYRHEFFESA-N 432.616 4.874 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1nnc(C(C)(C)C)s1 1540164129 IGJADRGLXDIZRI-UHFFFAOYSA-N 433.585 4.802 30 10 IJEE C#CCNC(=O)CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 1540364522 SYWJWFVPLCHZMM-UHFFFAOYSA-N 430.548 4.615 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)NC[C@H](c3c(F)cccc3Cl)N3CCCC3)on2)c1 1540770703 GXIIJFAVHBPTCL-HXUWFJFHSA-N 438.890 4.573 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@@H]2CSC)cc1 1540878684 DXBWMEZEXNZWMH-OAQYLSRUSA-N 426.630 4.956 30 10 IJEE Cc1nc(SCC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c(C#N)c(C)c1C 1543851677 DXPQMFMHFFTFIW-OAQYLSRUSA-N 443.016 4.577 30 10 IJEE CCCC(CCC)N(CC1C[C@@H]2CC[C@H](C1)N2C)S(=O)(=O)c1ccc(C#N)c(C)c1 1561284653 GSLIBJZIXYXXLL-VKGMXUHCSA-N 431.646 4.699 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)CC1 1563953695 PZANHOJLCGVDMJ-VWLOTQADSA-N 425.617 4.752 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)c2ccccc2Br)c1 1564073081 FBUAKMYVJKAHBW-QGZVFWFLSA-N 444.373 4.907 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccc(COc3cccc(F)c3)cc2)cc1 1584750438 BKWVDVMWIYOYLO-RUZDIDTESA-N 429.495 4.562 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccccc1OCc1cn2ccccc2n1)c1ccccc1 1586027066 FUZGHCIGFHTPFY-HKBQPEDESA-N 431.517 4.767 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1587598404 ATGAVYOPRBAYDB-ODGPQVTHSA-N 436.600 4.809 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1587827296 KESCDWACANQFDG-NRFANRHFSA-N 449.643 4.789 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 1587898534 RFWFTDPLUVNENV-FQEVSTJZSA-N 441.551 4.539 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(COC)CCCCC1 1588085083 ZFESLPQJVGHZSS-HSZRJFAPSA-N 448.611 4.705 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC(F)(F)C1 1588166782 PKBSQSCXFCQLIC-INIZCTEOSA-N 434.943 4.732 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)N1CCC(C)CC1 1588280998 VTSCIWZYWSCHEB-UXHICEINSA-N 439.673 4.711 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCO[C@H]1CCCC[C@H]1C 1588472566 GKYUWNKOFJWWRC-KNQAVFIVSA-N 426.580 4.950 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H](C)N1CCC(C)CC1 1588473727 SSSMKFRZQVRLEM-SFTDATJTSA-N 425.596 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)CCCS1 1589151047 QEGBMFYOKWRKQU-IMRHEYAYSA-N 428.577 4.835 30 10 IJEE C=C(Cn1c(N(C)CC(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1593796415 ROIOAKYSXUZQJB-OYRHEFFESA-N 439.604 4.854 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(SCC)c2)CC1 1594063681 ALEPYRKXKDMMDR-UHFFFAOYSA-N 426.977 4.705 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CCC)CCC2)CC1 1594201864 BCXXBKFAEKECAN-UHFFFAOYSA-N 442.629 4.721 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1594229301 KRBVYPMVYIMVOA-PMACEKPBSA-N 436.648 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1594528725 MRHFWXGIARSRLY-UXHICEINSA-N 440.588 4.616 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1594720671 STXVDRDIZILWGW-UHFFFAOYSA-N 432.572 4.578 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOC)CCC1 1594913282 GTVHKSWBRWKHJE-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCCCC1)C1CC1 1595064942 DKRLNVSUNOHGFI-UHFFFAOYSA-N 437.632 4.795 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1595149287 MNJUFVLQIDIZIZ-LJQANCHMSA-N 444.988 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C 1595166596 VVBXGOKZDIXVEL-VXIBKDFQSA-N 443.617 4.884 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)[C@H](C)CC 1595184880 FJBXTFFPNYEWIX-KUHUBIRLSA-N 439.423 4.745 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cc(Br)cs1 1595442453 MKVYPNPVIMZHCU-UHFFFAOYSA-N 437.338 4.643 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1595442514 PUMHSHAAJXVXQU-NHCUHLMSSA-N 426.605 4.980 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl 1595452170 WLOOGJWIRFXTPL-VOJFVSQTSA-N 431.813 4.915 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2ncc(CC)s2)C1 1595700765 RLXWBTISWQLWIX-FQEVSTJZSA-N 437.613 4.550 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1595879439 WFPWXDNVLCHGHW-JOCHJYFZSA-N 425.646 4.960 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC#N)N1CCCC1 1598264637 FYYZHUYBWCYBCM-OXQOHEQNSA-N 432.975 4.596 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@](C)(C#N)C1)OC 1613129888 AOORDMBDJFEQPU-XKDCRVNJSA-N 447.530 4.738 30 10 IJEE C=CCn1c(SCCc2cnn[nH]2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1613171620 LWCQVNGXTQYRKA-OAHLLOKOSA-N 428.631 4.797 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN[C@](C)(CO)c3ccccc3)c2C#N)C1 1617282632 DOLQTDLIRIHVNM-AVRWGWEMSA-N 439.625 4.597 30 10 IJEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(Nc2ccccc2C(C)(C)C)cc1 1623197174 COVSVILESCLSQO-UHFFFAOYSA-N 430.556 4.609 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 1625778306 LPGRFGLNBAHUCY-QGZVFWFLSA-N 434.487 4.647 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1)C(C)C 1626398194 XQBBEEGEYLAPGM-XMMPIXPASA-N 442.515 4.706 30 10 IJEE N#Cc1c(F)cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1F 1628297159 CTIGDVIAHZLKAS-SFHVURJKSA-N 438.261 4.777 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)c1 1633307710 OPMRIEDTRQUWAU-QHCPKHFHSA-N 426.582 4.642 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 1634418156 JEYBTBBZQXOTHN-UHFFFAOYSA-N 444.457 4.770 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)cc1 1635499670 ZLFWDKOTDLJIPF-OAQYLSRUSA-N 427.342 4.728 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(Br)cc1 1641517254 FFRHUWTYWXJRKY-RBUKOAKNSA-N 449.389 4.713 30 10 IJEE COc1cc(CN[C@@H](C(C)C)[C@@H](O)c2ccccc2)ccc1OCc1cccc(C#N)c1 1643025737 FQSNARXHRYVCCN-SVBPBHIXSA-N 430.548 4.994 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973064 BZLJJVCEDOPMCS-UHFFFAOYSA-N 441.959 4.810 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1OC 1657787221 AJYQYUUIKLLKCG-LADGPHEKSA-N 433.951 4.916 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C 1657932789 XOHONIPABDKPLW-PQNGQFLHSA-N 440.632 4.625 30 10 IJEE CC[C@H](Cc1ccc(C)cc1)N(CC)S(=O)(=O)c1ccc(C#N)c(Br)c1 1660471844 CVMUDKBXVVOBRZ-GOSISDBHSA-N 435.387 4.661 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1OC 1661406618 IUOPQKIDHDFYOO-MRXNPFEDSA-N 448.966 4.864 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1666426725 HKACPHHMXZZDAI-MJGOQNOKSA-N 433.430 4.731 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1 1667010110 VHXSMPNSPXEXKW-UHFFFAOYSA-N 444.944 4.984 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCc1cc(Cl)ccc1Br 1667555249 PKVUHMWJEUGMML-UHFFFAOYSA-N 425.685 4.618 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@H](c3ccccc3OC)CC2)cc(OC)c1OC 1667711250 MYGPJDPXGCDLBB-HXUWFJFHSA-N 438.568 4.920 30 10 IJEE COC(=O)c1nc([C@@H]2CCCN2C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)sc1C 1677754324 FUGBGVYTFBNOHU-INIZCTEOSA-N 442.541 4.656 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(N2CCCOC2=O)CC1)c1ccc(C(F)(F)F)cc1 1680854805 HKTGZHKPPNKZMO-IBGZPJMESA-N 439.478 4.729 30 10 IJEE C=C1CCC(CNC(=O)NCCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CC1 1683053524 AAJUWYWYIYDXGW-UHFFFAOYSA-N 435.568 4.601 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc2c(c1)C[C@@H](C)O2 1685049181 SPWSATWXASGHKA-CQSZACIVSA-N 433.321 4.809 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1689955675 PIDDQWCNJXRNNV-LADGPHEKSA-N 438.616 4.891 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCc1csc(C(C)C)n1 1690095500 RXDCCRIWGGMTJS-UHFFFAOYSA-N 444.004 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(OCCC(C)C)CC1 1690248866 QUPFTAUBHIJYAJ-OFNKIYASSA-N 432.653 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(C)C)nc1 1690259465 KPJMHMORNKDMMB-UHFFFAOYSA-N 426.952 4.626 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2CCCC[C@@H]2C1 1690292670 LCIYUUTXGHRQQW-OAQYLSRUSA-N 444.023 4.502 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCCCC)C1)c1ccccc1 1690324279 NDBMKZKACBOHSX-QFIPXVFZSA-N 437.632 4.713 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCCCN2CCC)CC1 1690382594 UZKKWCCSSFKGCW-QHCPKHFHSA-N 437.632 4.840 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)cc1OC 1690430483 LJMCGMYZQHDDIE-FQEVSTJZSA-N 428.577 4.776 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1690506598 UAYSAGBPMSNBAF-UHFFFAOYSA-N 449.452 4.727 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21)C(C)C 1690581506 TWUJKBVJMURLJO-HIGZBPRKSA-N 436.648 4.987 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2csc(C)c2)C1 1690711762 HXQIDUBBQQKCHI-JOCHJYFZSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1690734122 WFPBHABCXZHXLZ-HKUYNNGSSA-N 428.602 4.824 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705520721 DHFIZYNFCIEBBC-RBBKRZOGSA-N 438.616 4.962 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCc1cccs1 1705702276 GLRGAKZWJDHJRR-DYESRHJHSA-N 426.561 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(CCc1cccc(F)c1)C1CC1 1705703088 QJYQOBPVOQSMDN-YKSBVNFPSA-N 426.580 4.808 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(C)C)C1 1705709373 OBTJKUPDRVQBTH-SLSDLSHTSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(F)(F)F)c1 1705718224 DRVIVEBGUCYPHT-UHFFFAOYSA-N 445.489 4.656 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1705809948 JIFITLAVNCKDJV-MSOLQXFVSA-N 445.633 4.818 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@@H](F)C1)C1CC1 1705853683 DGQDCRUGVJSQIT-IEBWSBKVSA-N 447.599 4.686 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCNc1ncc(Cl)cc1Cl 1705874216 HYPRIVIDEAWVHR-QGZVFWFLSA-N 437.375 4.512 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1722488365 HAESUWABYUYCCV-FNHZYXHNSA-N 433.369 4.932 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722492080 DIXAUVNTBPCLHH-CUWPLCDZSA-N 439.560 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(CC)(CC)OC 1722505087 MKNFCGQMUUDQCX-UHFFFAOYSA-N 438.414 4.654 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)Cc1nc2ccccc2s1 1722534356 OJVQNUZKFPBBSD-UHFFFAOYSA-N 439.610 4.769 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 1722596721 MUXGXPQHRJMRBX-UNIVCBNLSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1722605107 VSXONPOBNXKKLM-HXUWFJFHSA-N 433.641 4.916 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1 1722642540 GHKUVWINXHTKSE-FQEVSTJZSA-N 435.018 4.815 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCCN1CCC(C)CC1 1722658480 FRQHMZBHELEVNQ-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C)C1)C(C)C 1722667577 WBKQADYBJOGMNP-BWKNWUBXSA-N 446.643 4.982 30 10 IJEE CS[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1731032854 DSNSMDAICGAJES-IFXJQAMLSA-N 434.407 4.589 30 10 IJEE CS[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C#N)CC1)C(C)(C)C 1731053612 DMQLOCXXXAEHLB-OAQYLSRUSA-N 436.629 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)CN1CCCC1 1740537952 ASLNXYQDRFXHOG-MOPGFXCFSA-N 439.673 4.711 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740596051 QYILCAIIESNMDQ-QFIPXVFZSA-N 438.616 4.819 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1740664686 YWADNXKEPHJDMY-INIZCTEOSA-N 435.316 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1cc(Br)ccc1OC 1740730531 BDOLGCWTZDJPGG-JOCHJYFZSA-N 443.389 4.747 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1740780205 KLFTWDTYQGVXPH-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(C)nc2)CC1 1740819789 DQTURGOSHFJGRZ-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1740849675 SHVWPZAEDDKKHV-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740852423 NFHFUKDLZLZTRD-NRFANRHFSA-N 448.615 4.749 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740865896 TWKJPCPBQPIOJX-IEBWSBKVSA-N 438.494 4.678 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740884269 VHKJXAYDJKWIOM-UYAOXDASSA-N 444.645 4.872 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](SC)C(C)(C)C)C1CC1 1740908403 XCDXJDDVRSHXIF-MRXNPFEDSA-N 438.439 4.968 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)c(OC)c1 1740935949 CDUSWJAMWKTOLF-UHFFFAOYSA-N 437.931 4.812 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCCCC2)C1 1748701297 GBXSBQPWUNJHER-UHFFFAOYSA-N 430.394 5.000 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1748701665 NPZZERULGRGTLJ-GMAHTHKFSA-N 430.600 4.871 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 1748706670 PLMXWMDWINGCQD-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1C[C@H]2CC[C@H]1C2 1748794671 FSIAYCJVQMULEV-SLFFLAALSA-N 426.992 4.757 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@](C)(OC)C2CC2)CC1 1749329559 PAXWTEWNMIJZGQ-OSPHWJPCSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1c(C)noc1C 1749359683 NGOVROROCRLDJL-UHFFFAOYSA-N 437.544 4.560 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(OC)cc1 1749415584 PCLHCZIHVZPFNA-UHFFFAOYSA-N 444.377 4.657 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1csc(C(C)(C)C)n1 1749482733 NIKBAAXOORGQSY-UHFFFAOYSA-N 447.612 4.750 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCC[C@@H]1C 1749528053 BKKGRPCMVVAXND-AVRWGWEMSA-N 436.556 4.599 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](C)Oc1cccc(C)c1 1749551370 XVXGJZZAMVUJIL-IBGZPJMESA-N 446.580 4.765 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1749746567 HTYXEKWKQWHQHY-QZTJIDSGSA-N 448.036 4.697 30 10 IJEE C=CCSCCn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1749763659 FRQXIDOPHXZOJH-HXUWFJFHSA-N 426.630 4.529 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2scnc2C)c2ccccc2n1 1751414110 CIOXPVUSNJDNBS-MRXNPFEDSA-N 431.569 4.548 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1scnc1C 1760105443 PKWXSISPAOCZRH-GOSISDBHSA-N 437.613 4.836 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760165210 MCXRQYKINKHJIQ-VTYHHJSWSA-N 431.584 4.626 30 10 IJEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1760207124 YFAHLFVLJMGVHE-AOYPEHQESA-N 430.596 4.560 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C=C)CC1 1760275718 GEXWHSDHJQAZBO-KRWDZBQOSA-N 426.655 4.900 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CC1CCN(Cc2cccs2)CC1 1760332653 JLMUAZPUDXJOMQ-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760406682 JMLYJNNQPQBBKC-QGZVFWFLSA-N 427.593 4.566 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1760417029 SMCKQYAYYUCUDL-JOCHJYFZSA-N 435.572 4.651 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)c1ccccc1 1760417248 ZRJALNSPESMPOF-JOCHJYFZSA-N 435.616 4.743 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(CC)CC1 1760421776 ACTLEPFFPZXXHA-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cc(COC(C)(C)C)on1)C1CC1 1760474705 DUAGDROBIOJEDX-UHFFFAOYSA-N 439.535 4.514 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@@](C)(CC)O1 1760482305 FXQMPHWCKTVSLV-ZEQKJWHPSA-N 431.584 4.804 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1760496729 DPQGSDUKIMALGM-FPOVZHCZSA-N 443.636 4.835 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCc2cccnc21 1760497071 QJFNWZHPKIAQCY-QFIPXVFZSA-N 429.568 4.859 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCSC1 1760499293 UHNCKQFHEDUXHW-FCHUYYIVSA-N 426.630 4.550 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccccc1C(F)(F)F 1760505879 PIKHLDGTGMRQAM-UHFFFAOYSA-N 436.503 4.636 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCCC[C@H](SC)C1 1760532430 VLASLROBSVWOGX-FQEVSTJZSA-N 435.597 4.675 30 10 IJEE CCS[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(C)C)n1 1766762435 DHRABPDYRCUHEP-MRXNPFEDSA-N 439.589 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CC1CCC(F)(F)CC1 1772523346 PHKVNDXEXILTCZ-HSZRJFAPSA-N 444.526 4.780 30 10 IJEE CC[C@@H](C)OC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1858698281 MBGFIZSKPXVGHS-UONOGXRCSA-N 442.541 4.504 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)[C@@H](C)CC 1861216332 FLUZBCDQOUIRHZ-ZKMPZPQNSA-N 443.676 4.906 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1862433070 UHXOYNSRLWREDW-IBGZPJMESA-N 434.319 4.998 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc2ccccc12)c1cccc(O)c1 1862593918 ZYWMFGOTVGVBFQ-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc3ccccc23)c1 1862705390 WTMVRGKMZCAKNF-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1862936889 LETAUNPUCFHOLC-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(F)c3)C2=O)ccc1F 1863094685 KZKKSANRHUHJCW-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 1863686604 KCGOGDJUKRTWIW-UHFFFAOYSA-N 444.453 4.548 30 10 IJEE COc1ccc(/C=C/C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 1865908274 ZOZZNAOPILUCOO-QPJJXVBHSA-N 436.103 4.744 30 10 IJEE C=CCN(CC=C)c1cc(N(CC)CCc2ccncc2)nc(-c2cccc(OC)c2)n1 1867991800 GLTSMEMKZQLSER-UHFFFAOYSA-N 429.568 4.795 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1 1868957561 ABDLPPCHZLTLQC-OFNKIYASSA-N 426.507 4.582 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)nc(CCOC)n1 1869109248 OSLKXIFXRDOUJD-OAQYLSRUSA-N 426.992 4.709 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870244889 MUMDLKLLLCHDNK-UHFFFAOYSA-N 447.560 4.651 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1cc(C)ccc1C 1871167705 IEKMLRMNCZOGRD-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1OC 1871367676 XMHNDOOBDGQNCL-HMAPJEAMSA-N 436.485 4.920 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2C1=O 1871379856 ZAHHTTXYYUJVGK-QRVIBDJDSA-N 440.407 4.637 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1c(F)cccc1Cl)C2=O 1871428612 KXNXWYAIDYAQKN-MOSHPQCFSA-N 448.874 4.752 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871816126 CKSZSVWFIHKLLN-KRWDZBQOSA-N 434.989 4.887 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871901258 IAXQUTDIESIVFJ-HXUWFJFHSA-N 444.597 4.605 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872519921 MYUCYUZFNUFVBS-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=CCNC1=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N(C2CCCC2)C1=O 1873136434 JHXHGEJECPQLQQ-UHFFFAOYSA-N 432.364 4.522 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCc1ccccc1)n2CC=C 1873594503 USTGMYGXVOTVDG-UHFFFAOYSA-N 429.568 4.548 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874267520 BIGDPPABEBIWKA-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccs1 1874421254 BXYNVKPWWXGPEC-CIAFOILYSA-N 439.591 4.990 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)cc1 1874466773 AGSAOYCNIGFFOT-ZMOGYAJESA-N 436.468 4.638 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874476900 YPCJBGZSHLNANP-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE Sc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874562561 DACCWRDNTVBGOX-KOEQRZSOSA-N 430.533 4.650 30 10 IJEE Oc1ccc(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1Br 1874567371 UFNSVKVYZJFLCE-SSDVNMTOSA-N 447.402 4.676 30 10 IJEE Cc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c1C 1874705832 CAFISIDMJPRGRP-PKNBQFBNSA-N 444.483 4.955 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)c1 1874706380 DZVABONBYUUJNO-RIYZIHGNSA-N 431.488 4.885 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)COCc1ccccc1 1874709922 PMQKUIAPRLSUHQ-YRNVUSSQSA-N 438.426 4.992 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1875088693 ZITYWUQWEKHTRC-CSKARUKUSA-N 436.351 4.757 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cncc(C)c1 1875115896 AFQFALMBMWZASY-ONNFQVAWSA-N 432.432 4.812 30 10 IJEE CN(CC1CCN(C(=O)CCc2cccc(-c3ccccc3)c2)CC1)c1ncccc1C#N 1891273440 JDDKHFQORARJJJ-UHFFFAOYSA-N 438.575 4.928 30 10 IJEE CC(C)(C)OC(=O)N(CCOc1cc(Br)cnc1C#N)Cc1cccs1 1903448400 OBSCNGCRWKLTQH-UHFFFAOYSA-N 438.347 4.593 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 1982478994 LRXRKXFQDKXDHT-GHTZIAJQSA-N 430.511 4.973 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 2020331777 HVMHCGGUIAOXSP-PMACEKPBSA-N 439.641 4.719 30 10 IJEE Cc1ccc(C#CCCO)cc1CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2034749122 FDWXAKMYPGOZIS-UHFFFAOYSA-N 426.604 4.863 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Cl)ccc(Br)c1F 2058347582 UEDIOGTULQFZBL-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)c(F)c1 2079069513 QQKKANJXRFMISG-JDYBYSMLSA-N 441.288 4.866 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3c(F)cccc3C(F)(F)F)nc12 2081325521 MCNLGZASTUBKKV-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCCC 2088509547 JZSVJZJDLUFYEA-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1C#N 2174813616 YJZOLTYMKMSVHH-QGZVFWFLSA-N 437.382 4.722 30 10 IJEE CCCCCCCN(C)S(=O)(=O)c1ccc(Br)cc1Br 2196704011 KEQLRTGDNNFYCE-UHFFFAOYSA-N 427.202 4.803 30 10 IJEE CCc1ccc(C#C[C@@H](O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231158817 SZLLRRCBEORYMO-LEAFIULHSA-N 449.591 4.805 30 10 IJEE C=CCN(CC[C@H](NCC)c1cc(Br)nn1CC1CC1)C(=O)OC(C)(C)C 2233340626 ZDVWSWDZJDTKHR-INIZCTEOSA-N 441.414 4.519 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@H](O)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235739460 IFLRRXSFVGOTJT-XMSQKQJNSA-N 436.390 4.835 30 10 IJEE COc1ccc([C@H](N)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1 2235744913 AJQQOIZMKRGASJ-GOSISDBHSA-N 431.330 4.856 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2235747781 SOGYUJNORUEMMY-DENIHFKCSA-N 435.406 4.862 30 10 IJEE CN[C@H](CC#CC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415287 QZBCKJJIMPDQOX-RTBURBONSA-N 437.422 4.913 30 10 IJEE Cc1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc(C)c1C#N 2254634132 MRVDYJQCWHENQO-AVRDEDQJSA-N 437.540 4.612 30 10 IJEE CN(Cc1cccc(I)c1)c1cccc(Br)c1C#N 2265533490 VIMJYXYHKGASLC-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 2268654117 VPZRWOMEQKKKCK-UHFFFAOYSA-N 442.365 4.849 30 10 IJEE C=C([C@@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2281234359 ZZRQMRVLXLHTSG-TZMCWYRMSA-N 441.305 4.892 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@@H](N)C#Cc1ccccc1Br 2288095794 SWOTYLZUUUKMFZ-IBGZPJMESA-N 435.406 4.945 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2296296499 OSIAGDOPCMOPHR-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CC=CC1 2296301955 BRZUJJAAZBMHTN-LJQANCHMSA-N 433.390 4.782 30 10 IJEE Cc1ccc(CN2C(=O)C(=Cc3nc(C#N)c(N4CCCCCC4)o3)SC2=S)cc1 2314506546 FPWFSXRBDOAHAM-UHFFFAOYSA-N 438.578 4.637 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccccc1OC(=O)c1c(OC)cccc1OC)C2=O 2314527536 XJZADOIOQJJGDH-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1cc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)ccc1O 2314547277 FTIUXKNQLVWDAT-UHFFFAOYSA-N 446.484 4.908 30 10 IJEE N#Cc1ccc(Sc2cc(I)ccc2Br)cc1N 2316467295 FXLRDDZFBXYMPB-UHFFFAOYSA-N 431.096 4.659 30 10 IJEE CCCOc1c(C=NNc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cccc1OC 2322624227 UYJWRUZGFSHZHW-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1OC 2322748307 RNFGLTPJKGEFHR-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCOC(=O)c1sc(NN=Cc2ccc(OCc3ccccc3)c(OC)c2)nc1C 2323873928 ALMAMJLPTFIGSY-UHFFFAOYSA-N 425.510 4.662 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC(N)=O 2324280963 FJVAULDLOKEXBF-UHFFFAOYSA-N 437.879 4.901 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2324965314 AZKRONRYQAAPOE-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE Cc1c(OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc2c1OC(=Cc1ccccc1)C2=O 2325263747 MGLUZMXWZHSJEH-UHFFFAOYSA-N 445.427 4.965 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1cnccn1 2325763273 YQGYCOIHQXXOMR-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccccc1OCCC 2326421526 PWRXFDOYNIYOSX-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2326619154 WBZBIWDUQYQGIE-UHFFFAOYSA-N 446.330 4.686 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2327571138 ZZFOGJUZKAHAKB-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccncc1 2328240153 XZENBQRRNCJCPL-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2cccn2C)c1 2328641189 WMZSSPNZBQDNEX-UHFFFAOYSA-N 449.555 4.724 30 10 IJEE CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(Br)cc1 2328684021 PDLJIAFTRKAKQI-UHFFFAOYSA-N 445.386 4.829 30 10 IJEE OCCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1c(Cl)cccc1Cl 2329859354 OWTGOOPYGHUAJN-UHFFFAOYSA-N 439.343 4.672 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)ccc1O 2331033176 WTDPQJQWMXTTEK-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccccc1OC 2331326729 NASJLEVKAUPFAT-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2cccc(F)c2)nnc1C(C)C 2331687459 MTMJVUYJUTUGPZ-UHFFFAOYSA-N 444.532 4.741 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362711044 WJPKNORWKVWTQL-RBUKOAKNSA-N 437.378 4.558 30 10 IJEE CC#CCN(CC(=O)Nc1ccc2ccccc2c1Br)C(=O)OC(C)(C)C 2363137178 OLHGPBTWXABHHU-UHFFFAOYSA-N 431.330 4.801 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Br)ccc2OC)C1 2364627581 YFFJFWNQOBKSRU-GOSISDBHSA-N 439.394 4.969 30 10 IJEE CC1(C)OB(C=Cc2ccc(=NCCc3csc(Br)c3)[nH]c2)OC1(C)C 2365056985 FRTBGCCJGCSLBO-UHFFFAOYSA-N 435.196 4.627 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(N)C#Cc1ccccc1Br 2380858744 CONHREFZDYTKNL-YVCBRDFCSA-N 433.390 4.602 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)/C=C/c4ccc(C)cc4)n3)cc21 11971593 FIXSZJMXCXFMCX-DHZHZOJOSA-N 431.517 4.682 30 10 IJEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)ccc1OC(C)C 21250202 VFBPYTHMMZVIOT-CTNGQTDRSA-N 449.547 4.885 30 10 IJEE CCSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(C)=O)c1c(C)cc(C)cc1-2 32997668 UWLMJJPMYJZTPB-JOCHJYFZSA-N 431.521 4.583 30 10 IJEE C=CCc1ccc(OCCCn2c([C@@H]3CC(=O)N(C4CC4)C3)nc3ccccc32)c(OC)c1 40182954 ORYHZFQINHEAHT-HXUWFJFHSA-N 445.563 4.721 30 10 IJEE COc1ccc(CSc2n[nH]c(N/N=C(/C)c3ccc(Br)cc3)n2)cc1 59020729 GIVXHJHYBRZBRL-MTJSOVHGSA-N 432.347 4.704 30 10 IJEE COc1ccc(OC)c(Nc2nc(SC)nc(-c3ccc(OC)c(OC)c3)c2C#N)c1 62039790 KSYPGGIQEBFTFC-UHFFFAOYSA-N 438.509 4.515 30 10 IJEE CN/C(=N\c1cccc(Cl)c1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 105534750 FGBFFCAEZXVIMV-OAHLLOKOSA-N 442.755 4.919 30 10 IJEE CSc1nnc(SCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)s1 106190614 XKXIGUVVYFCUHU-UHFFFAOYSA-N 441.607 4.532 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 169956446 HNULJTOMXBYQDW-XMMPIXPASA-N 441.531 4.543 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccn2)c1 169998421 GKIOLDPPLWZFSE-QHCPKHFHSA-N 430.479 4.659 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2F)c1 170068985 LGWLTTKYMXRRGZ-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170118659 SLNOMRMFBHHFKS-VWNXMTODSA-N 443.499 4.606 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(C)c2)c1 170148085 YRYJQCRGTZLUST-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1cccs1 170160174 LOSACGYARGJDCR-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1C 170185033 NHCWKMQZKCHWNS-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)cc1 170189317 MZRWYQWOLUYXSC-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1C(C)C 170229972 JOKCIKANFFDINX-AUSIDOKSSA-N 435.520 4.576 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170251100 NFSBKYZHHSQQFX-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)cc1 170285411 PDCMMLZEHGDANS-HSZRJFAPSA-N 445.471 4.786 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(C)o2)c1 170297851 VPZXXCVZACKODR-QHCPKHFHSA-N 445.471 4.705 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccnc1 170316877 LTYHAXYEQKTXJT-HXUWFJFHSA-N 430.485 4.976 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC)c1 170323715 JQPPIGPHTAABAY-HJPURHCSSA-N 435.520 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1cccs1)c1ccco1 170349340 PLNXEWWYMVJNHR-MRXNPFEDSA-N 430.279 4.887 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1O 170408741 DQJOBYRRUDBZMY-QHCPKHFHSA-N 444.487 4.702 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC)cc2)ccc1OC 170439923 VXPMVOULJMCCSR-QHCPKHFHSA-N 439.508 4.618 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1cccc(OCc2ccccc2)c1 170457746 WQKUQSRQGTVXRB-QFIPXVFZSA-N 437.536 4.613 30 10 IJEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(C)c2)c1 170460356 KNHLLCPYADDBPJ-QFIPXVFZSA-N 445.471 4.938 30 10 IJEE Cc1sc2ncn(CCC(=O)Nc3ccc(C#N)c(Cl)c3)c(=O)c2c1-c1ccccc1 252011282 SGMJCAPJRGZNFF-UHFFFAOYSA-N 448.935 4.987 30 10 IJEE COc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(Cc3ccco3)C1=O)OCO2 252598757 DDHJLFHPQQLAAL-FBUDNRDWSA-N 434.473 4.821 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCO1 461825324 YOWNTAIHGASQIN-SFHVURJKSA-N 444.004 4.741 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508838829 AMEKZGMDWBTADE-SIBVEZHUSA-N 448.567 4.532 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526514617 GAYZUBCYDFECPQ-XMMPIXPASA-N 442.471 4.641 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 549604127 RTXSSKHCNXSIQF-GOSISDBHSA-N 445.976 4.526 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 558997977 XGWWGSSJKZMGBJ-UHFFFAOYSA-N 445.523 4.568 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CC=C(c2ccccc2C(F)(F)F)CC1 564373601 VQIMYXHLVXLSDS-UHFFFAOYSA-N 425.458 4.762 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 574856416 FJMFDKIMSKMYPF-GOSISDBHSA-N 440.569 4.581 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(CC)on2)c1 606891207 UHKQLWNOENCIRT-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 611189251 IKBHIWYBJWOYMO-UHFFFAOYSA-N 433.367 4.562 30 10 IJEE Cc1ncccc1/C=C1/CN(c2ccc([N+](=O)[O-])cc2)C/C(=C/c2cccnc2C)C1=O 730418883 DFXVCXINCWEYMA-JZTLMNBPSA-N 426.476 4.558 30 10 IJEE C#CCN(C(=O)N[C@@H](C)Cc1ccccc1F)[C@H]1CCOc2ccc(Br)cc21 733342352 FLXDMLKWFYTOPH-YWZLYKJASA-N 445.332 4.688 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)Cc3cc(-c4ccccc4)no3)c2)s1 739975553 CKMIIPSNAAGCOB-UHFFFAOYSA-N 435.530 4.561 30 10 IJEE CCN1C(=O)CCc2cc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)ccc21 760070372 GJSOOVHENJFWGE-UHFFFAOYSA-N 430.533 4.908 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N(CCC#N)c1ccc(F)cc1)C2 796278096 HJURDTUXPVCASG-IRDVNMAFSA-N 429.536 4.792 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 917613269 NXQPAZLVAANJAU-UHFFFAOYSA-O 431.497 4.640 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC[C@@H]2Cc2ccc(Br)cc2)c1=S 920758063 MZKVXAKHRVDLMS-GOSISDBHSA-N 433.419 4.905 30 10 IJEE N#Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2cccs2)cc1Br 1124389323 GVADRYCQEOUTRU-UHFFFAOYSA-N 431.311 4.583 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cccn(Cc3ccccc3)c2=O)s1 1127017722 BAHNGAIIYWHVMI-UHFFFAOYSA-N 445.997 4.687 30 10 IJEE C=CCCCCCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 1128849067 UMAURBPREUAFNF-IBGZPJMESA-N 437.378 4.803 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 1129588617 KIRZDQHNEXRJRO-QFIPXVFZSA-N 443.341 4.647 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1133221071 ZKHZUCQKYHVYNS-QFIPXVFZSA-N 440.584 4.778 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NOC2CCCCC2)ccc1Cl 1138633803 NLLISQCZIXYCLO-UHFFFAOYSA-N 448.972 4.715 30 10 IJEE CCc1c(-c2ccc(Br)cc2)n[nH]c1NC(=O)c1cc(F)c(C#N)c(F)c1 1144340649 DZEXHXHYPNBNCQ-UHFFFAOYSA-N 431.240 4.804 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F 1157507020 CGMMQYFBMBXBMT-DNQXCXABSA-N 437.898 4.972 30 10 IJEE C=CCn1c(SCc2c(Cl)cccc2C(=O)OC)nc2cc(Cl)ccc2c1=O 1164458602 BRCBDYGPYXLZGC-UHFFFAOYSA-N 435.332 4.968 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1ccccc1 1176188528 SVIVCXCKKZLDKY-HXUWFJFHSA-N 441.528 4.782 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1SC(F)(F)F 1180238361 DKHUOSIENRCJRS-CYBMUJFWSA-N 438.899 4.951 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1)c1ccc(C(F)(F)F)cc1 1206282692 NREIKQDBNADBOG-ICSRJNTNSA-N 433.430 4.759 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(Br)cc1 1215084212 BHDIVPKJHWEYRD-LJQANCHMSA-N 438.281 4.790 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccc(F)cc1 1230478555 JWHUPULRVNXWBM-SFTDATJTSA-N 443.563 4.567 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2CC(C)C)C1 1256719494 JQNSRBKZLJXPJN-QFIPXVFZSA-N 432.568 4.961 30 10 IJEE CCC[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1cccc(Cl)c1 1264914724 AGBKWUPVEMUZJI-OAQYLSRUSA-N 432.955 4.992 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@H](SCC)C1 1286346860 DAOHFNVRNRCIOI-QFIPXVFZSA-N 434.613 4.656 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCSC(CC)(CC)C1 1286356511 JDOBWBVFEBEECE-UHFFFAOYSA-N 426.630 4.999 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC(C)C)C(C)C 1286560632 HGKMMIMBGFBNAL-XUZZJYLKSA-N 448.615 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286570428 YQZQGDMZOCONTL-ULQDDVLXSA-N 432.410 4.885 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1C(C)C 1286680981 PITFXGDOQKJVPZ-LEWJYISDSA-N 434.588 4.592 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1286683749 ZFOJURGWXLMJCD-YZGWKJHDSA-N 431.625 4.887 30 10 IJEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC(C)C)C1CC1 1286701048 URADSTOCSPNUCK-HXUWFJFHSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1nccs1 1286718354 GPWQUKUVEYVCNE-UHFFFAOYSA-N 438.782 4.682 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 1286734310 PYOCEZCHFKCPHW-UHFFFAOYSA-N 443.979 4.620 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1286734813 IEENJCIRDXDRDY-QZTJIDSGSA-N 444.023 4.882 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286770013 LHPWXXPRNJZDJX-JXFKEZNVSA-N 445.489 4.695 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CCCC2)C1 1286823545 OBVGJEKCZMGRIS-UHFFFAOYSA-N 439.629 4.837 30 10 IJEE C[C@H]1C[C@@H](CCn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)CCO1 1291016085 AMDIBPXZKWNESX-ROUUACIJSA-N 427.980 4.934 30 10 IJEE CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1291356574 FXINOTXFGHUBIX-UHFFFAOYSA-N 431.588 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H](c1cccnc1)C(C)C 1300324246 BZJULFIOYMLXMN-NFBKMPQASA-N 431.584 4.712 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CCC)CCC1 1300330615 ZVVIHOKHJXAXGQ-MOPGFXCFSA-N 429.609 4.778 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccc(C)o1 1300765961 OEQYUVULRJSMSH-FQEVSTJZSA-N 442.535 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCC 1300790206 MNICSLQAUQYDRI-ZJSXRUAMSA-N 426.008 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@H](SC)C1 1300882198 TVPRUBGBFQVLFV-IPJJNNNSSA-N 442.629 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC(C)C)C(C)C 1300884910 MUDKYWXMEYLDBO-PTUXOGIPSA-N 440.588 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCn1cc(Cl)cn1 1300900955 UYBZTOCRDRGMCE-MRXNPFEDSA-N 432.931 4.510 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1301000525 SGXLYIJKSVSXQH-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)CN2CCCCC2)CC1 1301067027 WLDJWWOGSVWYKZ-NHCUHLMSSA-N 441.595 4.836 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1301334321 HOUIURPYNCZHPB-QFIPXVFZSA-N 439.648 4.897 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(F)(F)F)C1 1301567804 YOUXAYGSXFFMFK-KRWDZBQOSA-N 438.494 4.633 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)SC 1305508477 HGBOPJVYGOAJNM-IBGZPJMESA-N 440.661 4.517 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(Cl)c2Cl)nc2sccc2c1=O 1307263990 MJEDQBAWCHVILC-AWEZNQCLSA-N 441.361 4.957 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)Cc2ccccc2)c1 1307575086 YOHZSFIJEIWPKU-UHFFFAOYSA-N 441.922 4.547 30 10 IJEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1cc(C#N)ccc1OC(F)F 1310253303 FPIKBMILQBGEIY-NRFANRHFSA-N 440.491 4.611 30 10 IJEE C#CCN(C(=O)Nc1ncc(CCC)s1)[C@H]1CCOc2ccc(Br)cc21 1310485568 NQGCTPJGIDDHJM-INIZCTEOSA-N 434.359 4.849 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 1312517123 DTIHSGXVRQRGQO-IBGZPJMESA-N 431.458 4.599 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 1313001291 JKRHCKLKVQFSIS-SJLPKXTDSA-N 435.366 4.585 30 10 IJEE C=CCc1ccc(OCC(=O)NCC(C)(C)c2ccc(Br)cc2)c(OC)c1 1357186347 WUQPGKSSKOBVCF-UHFFFAOYSA-N 432.358 4.659 30 10 IJEE C=CCc1cc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)cc(OC)c1OC 1357246918 PCJHLXFTHZUEFJ-UHFFFAOYSA-N 440.540 4.638 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1358899745 UFOQXSVJNJNBMX-YYWYGQEZSA-N 426.527 4.948 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1358935956 YGOIHYJTZDEWKC-LJQANCHMSA-N 442.629 4.776 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](c1ccc(C)cc1)N(C)C 1358941807 YTEMXIAUXYLNBI-DENIHFKCSA-N 447.652 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(F)(F)F)c1 1359112458 KJXOAYTYWNZXKB-IBGZPJMESA-N 438.494 4.912 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359184215 HPFNXPMCYSBAII-XMMPIXPASA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOCC1 1359191130 OGXHMOSQDOUQRW-UHFFFAOYSA-N 432.996 4.690 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 1359192682 LJGIJBRFNISLRJ-QHAWAJNXSA-N 440.636 4.874 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 1359195197 IUSKFHVVQXOFKN-GGAORHGYSA-N 448.615 4.503 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359224520 USFJIECMRKSSPA-NVXWUHKLSA-N 439.387 4.848 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1ccnc(OC2CCCC2)c1 1359261113 WXZHGVGDCAXOQV-UHFFFAOYSA-N 435.547 4.937 30 10 IJEE C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CC#N)N(C)C(=O)OC(C)(C)C 1360544360 HQKKKMZEJYDSOA-HOTGVXAUSA-N 446.983 4.592 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)C1(CO)CCCC1 1452443517 ZELQXYCGIXICQB-SFTDATJTSA-N 430.589 4.646 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](CC)Oc2ccccc2Cl)CCCN1C(=O)OC(C)(C)C 1457402659 WDPNCOUQKZYHRY-GAJHUEQPSA-N 436.980 4.959 30 10 IJEE COc1cccc(-n2c(Sc3nc(Cl)c(C#N)s3)nc3ccccc3c2=O)c1 1458083084 FUGVBOGBOFBGRQ-UHFFFAOYSA-N 426.910 4.527 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Sc3ncccn3)cc2C)CN(C(=O)OC(C)(C)C)C1 1464613406 SMEJFDQRWSATHI-UHFFFAOYSA-N 440.569 4.688 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@H](CO)Cc2cccc(Br)c2C)c1 1465535343 GUSGMFURJYXQPS-QGZVFWFLSA-N 447.373 4.685 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccnc(Sc2ccccn2)c1)c1ccc(Br)cc1 1465542342 OPUGZSNQSNMWQX-QGZVFWFLSA-N 439.338 4.886 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C 1466816479 GXSGXRUWWSUAKZ-INIZCTEOSA-N 441.366 4.892 30 10 IJEE C#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CCC2 1468557833 KKOVJVKALHKCSA-XLEPWJDSSA-N 430.935 4.879 30 10 IJEE C=C(C)[C@@H](NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)c1ccc(F)c(F)c1 1469854323 RCAGHKDPYOELAZ-RTBURBONSA-N 439.300 4.720 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 1470100516 ZQLJVDBZKRDKSY-IEBWSBKVSA-N 448.405 4.559 30 10 IJEE C#CCN(C(=O)NCC(C)(C)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1470737101 ZHLCALPTGMTHKZ-HXUWFJFHSA-N 441.369 4.895 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 1474915703 FNIHYYQUAUUGRC-LJQANCHMSA-N 441.528 4.563 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 1475469277 ANIKHZLFFQCFJH-QZTJIDSGSA-N 436.533 4.746 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2c[nH]c3cc(F)c(C)cc23)cc1 1476041499 HQNTYAWNOVBSEY-UHFFFAOYSA-N 434.515 4.794 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(F)c1I)c1ccc(Cl)cc1F 1476353990 FKOMEAODJKARDB-CYBMUJFWSA-N 446.622 4.719 30 10 IJEE CN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1478476029 HBPAJMXEXDZNCS-VZKWCCSDSA-N 448.567 4.531 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 1478963938 DPVZYAKMFMOQDA-JXFKEZNVSA-N 438.385 4.550 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1500037103 GGZPZTKNUOSNHR-MSOLQXFVSA-N 440.592 4.697 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(CC)C(C)C 1507518283 UCUQNRJYCLGAEE-PMACEKPBSA-N 446.039 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)OCCc2sccc21 1507528599 UTESCDTXBUUWCH-IVZQSRNASA-N 426.973 4.606 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCOC2(CCCCCC2)C1 1507570986 YYMHBZNOQKTTKL-UHFFFAOYSA-N 436.600 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccco1 1507797218 RRKBIRIYVXQRBD-KKSFZXQISA-N 442.947 4.818 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1507803609 CDJYVTCBLNQITJ-JBAWTIAASA-N 438.616 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1 1507812343 WPJHNWXQMFDXFC-MSYCTHLASA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@@H](O)C1 1507813956 GLMGCFJUKIQYIN-HUUCEWRRSA-N 439.423 4.723 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507827835 HEFSRGQFVPZCDL-UXHICEINSA-N 439.604 4.959 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCCCCC2)CC1 1507858167 GAEOOOWGLKBFJH-UHFFFAOYSA-N 449.430 4.838 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1507944619 UBVOOXXMVRMIKC-APWZRJJASA-N 443.548 4.558 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507946186 KQMALQDEFQHRBD-GOSISDBHSA-N 430.980 4.587 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1507946813 SCODHJCMYBNATI-UHFFFAOYSA-N 431.968 4.622 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1scnc1C 1507953303 IIBWBLAEJSSABQ-KRWDZBQOSA-N 446.621 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCNC(=O)c1cccc(C)c1 1508006467 DWWDEWTZZITRJX-UHFFFAOYSA-N 449.624 4.928 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1(CC)CCCC1 1508019918 IWQOUOKEZGQJET-UHFFFAOYSA-N 435.616 4.720 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1511985049 GJPHGVCSWFDXLJ-BGYRXZFFSA-N 426.653 4.822 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1 1521671875 FJYPNECMWHEBAY-DEOSSOPVSA-N 428.523 4.804 30 10 IJEE C=CCN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1nc(-c2ccccc2)cs1 1524297264 YDXIYIJRYZRQLQ-UHFFFAOYSA-N 445.504 4.796 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1525031927 FWNLGMQSPWQEKY-GQIGUUNPSA-N 425.916 4.835 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(C(F)(F)F)cc1 1526561834 SYDRHZNGHZCLDP-RXVVDRJESA-N 441.453 4.754 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccc(Cl)cc1 1528473927 ASDQYOWJYKLMOD-NRFANRHFSA-N 429.907 4.851 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Cl)c3ccccc23)ccc1F 1529915344 BSPYWYQSEBNJKD-AWEZNQCLSA-N 446.931 4.588 30 10 IJEE COc1cccc(-n2cc(C(=O)N(Cc3ccccc3)c3cc(Cl)ccc3C#N)nn2)c1 1530343422 AHTOQLLPJJLPIH-UHFFFAOYSA-N 443.894 4.648 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)COc1c(Br)cc(C#N)cc1OCC 1531086041 VKGHMXCDEHKOTL-UHFFFAOYSA-N 435.362 4.693 30 10 IJEE CC(C)c1ccc(Oc2cc(C(=O)Nc3c(C#N)nnn3Cc3ccccc3)ccn2)cc1 1531533790 HAJWEALUGXAKQY-UHFFFAOYSA-N 438.491 4.761 30 10 IJEE COc1ccc(NC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1C#N 1536115973 GWOHSVQLTKNUDB-UHFFFAOYSA-N 430.295 4.830 30 10 IJEE C#CCN(C(=O)c1ccc(Cl)cc1OC)[C@H]1CCOc2ccc(Br)cc21 1538199189 QLABZOGJXRUIQH-KRWDZBQOSA-N 434.717 4.710 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(CCOCC)CCCC1 1539359151 ZZLYMTFBYJTWPD-UHFFFAOYSA-N 433.600 4.883 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@@H]1C 1539533398 PMDKVBLSPGXXKH-VLCRHTCISA-N 438.641 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C(C)(C)C1 1539620559 LZMVEVJASFMSMJ-CUWPLCDZSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H](C)CCSC 1539621373 RDDQTVQIJWIRMJ-DSKINZAPSA-N 430.618 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(COC)CC1 1539624882 WVDOSKOQZKHQQK-UTKZUKDTSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)c1cccs1 1539649712 CFVKATDOWBVTQO-UHFFFAOYSA-N 449.624 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1539655349 KVIQUGWUTWJTTI-LJQANCHMSA-N 443.592 4.896 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1539744136 CWBBXYYITRYKRI-OAQYLSRUSA-N 440.588 4.887 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCSCC)CC1 1539872100 ZNWCCQQSUXHCFS-UHFFFAOYSA-N 427.618 4.693 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1539895901 DFDOIGBVXPIRGV-UXHICEINSA-N 441.595 4.519 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(F)(F)F)cc1 1539944630 DNWAFVGBNPHDGU-UHFFFAOYSA-N 432.494 4.928 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H]1CCCOC1 1540029561 VAQBJECRLJVGBD-IBGZPJMESA-N 444.645 4.731 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1540087383 XOWXFZOOSSVNCQ-CLOONOSVSA-N 425.621 4.607 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2ccccc2F)C1 1540887056 PBSNJNDJEXNGAQ-IBGZPJMESA-N 441.938 4.547 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCCS2)C1 1540887435 XGEZYVORCYBITI-ZWKOTPCHSA-N 449.020 4.674 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]2c2cccc(Br)c2)CN(C(=O)OC(C)(C)C)C1 1543275958 NVTJROFOFCAARV-SFHVURJKSA-N 449.389 4.926 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C 1543707475 JDFIGQGEUNCIME-UEVCKROQSA-N 432.564 4.652 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1543765566 HRFJNQHVKGLKBJ-SJORKVTESA-N 436.947 4.569 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C#N)CC1 1547300727 HEZMBRCRXUAPAS-CRAIPNDOSA-N 444.377 4.817 30 10 IJEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CC)CCCC2)C1 1547482350 AVHXHRIIJPBDLP-JOCHJYFZSA-N 434.632 4.955 30 10 IJEE CSc1cccc(F)c1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1555878022 CZMDLVINCWGLFC-LJQANCHMSA-N 429.565 4.559 30 10 IJEE C=CCn1c(Sc2nc(C(F)(F)F)c(C(=O)OCC)o2)nnc1-c1ccc(C)cc1 1559146162 VCDKELGJIDIING-UHFFFAOYSA-N 438.431 4.774 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 1564684267 FIARCKNHHLYKSS-YLJYHZDGSA-N 429.351 4.821 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCN1Cc1ccccc1 1565112499 OPYTYFJHLKQVAT-HXUWFJFHSA-N 446.364 4.560 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OCC 1569187323 ULBKXAGWWTWMMZ-ZDUSSCGKSA-N 429.332 4.604 30 10 IJEE N#C[C@H]1CCC[C@@H](OC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 1583558946 AOUOXLLBCCKMEY-MAUKXSAKSA-N 446.425 4.962 30 10 IJEE C#C[C@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccc(Br)cc1 1583565278 GDMKUDHFSGTFBR-NRFANRHFSA-N 433.305 4.550 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)cc1OC 1583861552 WAOLDSCWXUJPNJ-FNORWQNLSA-N 426.822 4.657 30 10 IJEE N#Cc1cc(C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)cnc1C(F)(F)F 1584767873 CFUBQXHRLXPWKN-UHFFFAOYSA-N 429.373 4.620 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CCCC)[C@@H]2CCc3ncsc3C2)cc1OC 1585433284 LEBVASLTGUFAPH-KEEQEYLASA-N 426.582 4.916 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)cc1 1585595638 BZVDMVLPNJUWJO-UHFFFAOYSA-N 441.487 4.583 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(C(=O)OCc4ccccc4)[nH]3)c2)nc1 1586719506 AMMJOFUSKLOXFW-UHFFFAOYSA-N 438.443 4.683 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)c2C#N)C1 1586958152 FZOTXHOLOOWNQP-UHFFFAOYSA-N 442.953 4.554 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C/C=C/CC)CC1 1588768282 DHLMIDDAQXSPOA-AATRIKPKSA-N 435.572 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1cccc(F)c1F 1589177524 JZYPNKGSXZDOND-JOCHJYFZSA-N 427.886 4.507 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC(O)(CCC)CCC 1589242841 LWBHQAXTKMJOCY-RUZDIDTESA-N 438.616 4.797 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(CC(C)C)C(C)C 1589569619 PQALFIHEXFJSFF-WMZHIEFXSA-N 430.568 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CC12CCOCC2 1589625949 PPZWGVPWLQBQQG-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(-n2ccnc2)c(F)c1 1589676140 MPLDUGYJARWXFS-UHFFFAOYSA-N 436.560 4.706 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1593757422 DHOZTYVQKHRYLT-FQEVSTJZSA-N 443.661 4.548 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOC(F)F)CC1 1594209155 SWZRASLMCLRRKB-UHFFFAOYSA-N 441.320 4.739 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CC=CCC1)c1ccccc1 1594534918 OVBNQIAHLJMITK-GMAHTHKFSA-N 433.600 4.667 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1594566661 JKOCKLBQSIXIGS-AZUAARDMSA-N 427.980 4.597 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1594766838 FPMTXWUCGCSDHP-SFHVURJKSA-N 445.976 4.511 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[C@H](O)C1 1606965906 BDTALYOALDTMQJ-FNAHDJPLSA-N 445.652 4.514 30 10 IJEE C=CCOCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 1613096361 ASGKCSHXNZFPBC-UNOMPAQXSA-N 444.940 4.994 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1613100681 CKNFPGMYCVALAK-QKKBWIMNSA-N 436.387 4.789 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1613129886 AOORDMBDJFEQPU-NVVBAYIOSA-N 447.530 4.738 30 10 IJEE CC(C)(C)N[C@](O)(/C(C(=O)c1ccccc1)=C(/O)C(=O)Nc1ccccc1)c1ccccc1 1616048792 PGFGFFCIGBDJNT-NQOBCDLNSA-N 444.531 4.554 30 10 IJEE C#CCN(C(=O)Nc1ccc2nc(C3CC3)oc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1623194567 ACYHRUYIAGFMFB-UHFFFAOYSA-N 438.528 4.572 30 10 IJEE C=C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)c1ccccc1 1625398081 XAVBRDPWAKSFDD-IBGZPJMESA-N 428.460 4.674 30 10 IJEE CCCN1C[C@H](CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CC1=O 1625677778 DZGZKKBSEAULNZ-HNNXBMFYSA-N 442.972 4.743 30 10 IJEE C#CC1CCN(C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1627357279 KWOFIXUJDTWUNM-SANMLTNESA-N 444.575 4.812 30 10 IJEE C=C(C)c1cccc(NC(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)c1 1627395440 ZZXAVUNPBYRUJA-INIZCTEOSA-N 447.486 4.683 30 10 IJEE C=CCC[C@H](C(=O)Nc1nnc2n(Cc3cccc(OC)c3)[nH]c(C)c1-2)c1ccccc1 1629655712 WUDCNHPCQXHXNF-NRFANRHFSA-N 429.524 4.765 30 10 IJEE C=C[C@H](C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)c1ccccc1 1629828417 ULRDLJPJAVFWMU-FQEVSTJZSA-N 442.357 4.531 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1 1631236111 WEDNSLQXTBAXJD-QHCPKHFHSA-N 433.552 4.546 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC1CCC1 1636922545 SGFVWGNDLMNUQX-JOCHJYFZSA-N 440.927 4.637 30 10 IJEE C=CCCC1(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CCCC1 1641356240 AVNXZFYHLGLTKZ-QHCPKHFHSA-N 442.625 4.786 30 10 IJEE C=CC[C@H]1CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)C1 1647863643 LORDBPGHRJAMQI-AOMKIAJQSA-N 442.485 4.685 30 10 IJEE CO[C@H](c1ccc(Br)cc1)[C@H](C)Nc1ncc(Br)cc1C#N 1650915439 DNKWUWPATVFEDP-BONVTDFDSA-N 425.124 4.666 30 10 IJEE CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)cc(F)cc1Br 1653834654 GUZCJALMUZSRIA-UHFFFAOYSA-N 445.741 4.965 30 10 IJEE C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1C 1655969789 HBDYVJDWJCVCRV-SFHVURJKSA-N 432.593 4.770 30 10 IJEE COc1cc(CN(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)ccc1C#N 1659598212 FYQJNPULVWAPIY-HXUWFJFHSA-N 429.358 4.819 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)c1ccccc1 1661009468 JKQQSGVGSQWRAJ-QHCPKHFHSA-N 432.549 4.715 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccnn1Cc1ccccc1Br)c1ccc(Cl)cc1 1661022647 IOUDDFTUBZYDNX-GOSISDBHSA-N 443.732 4.843 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)c1ccc(Cl)cc1 1661848588 MUPJOCUURYOFFK-IBGZPJMESA-N 432.351 4.962 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 1662573705 MZKFNEHBTDRRHM-UHFFFAOYSA-N 447.329 4.842 30 10 IJEE C#CCCOc1ccc(CNCc2cc(Cl)cc(I)c2)cc1 1662706165 YABRJILSMXTIRS-UHFFFAOYSA-N 425.697 4.637 30 10 IJEE CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H](C)c1cccc(-c2ccc(OC(C)C)cc2)c1 1662799092 ANIGCXDSVLTMOD-WOJBJXKFSA-N 443.613 4.860 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1666970437 DRDUTJSOBQVION-GOSISDBHSA-N 448.548 4.608 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 1666979384 JPLPIJZQVRNROK-AABGKKOBSA-N 433.321 4.710 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CCCCC1 1667316323 IGVBKDRPAJUGJV-UHFFFAOYSA-N 441.572 4.502 30 10 IJEE Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N1CCc2c(sc(N)c2C#N)C1 1668863652 CMFWYIICFXOATO-UHFFFAOYSA-N 434.569 4.584 30 10 IJEE CCC(CC)(CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N[C@@H](C)c1ccccc1 1669048425 GFDHQJWSYHTTMM-QFIPXVFZSA-N 447.627 4.690 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C 1670147467 GGMNPNNXXSIVAA-ROUUACIJSA-N 442.560 4.621 30 10 IJEE O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N[C@@H]1COc2c(F)cc(F)cc2C1 1670976415 BYAYXQMWYRSVCU-NSHDSACASA-N 438.299 4.710 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCN(c2ncccc2F)C1 1672388307 HHNBGRJZHASSQM-GFCCVEGCSA-N 436.331 4.659 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 1672560348 BBNGBVAQKXOFBM-UHFFFAOYSA-N 442.800 4.603 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](O)c3cccc(OCc4ccccc4)c3)cc2n1 1680698268 FXCSDMLKZKZGSN-VWLOTQADSA-N 442.519 4.656 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccccc1 1682352719 SQLJHEXCRFLJMI-MOPGFXCFSA-N 430.289 4.512 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1687269239 NIBAGEFGPJLESU-UHFFFAOYSA-N 439.556 4.513 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1689880141 SCPZZDJLUFPVBP-LJQANCHMSA-N 445.405 4.762 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCCC1(F)F 1689954200 PCTBNVJFQLGKRP-CYBMUJFWSA-N 441.295 4.742 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(COC)CCCCC1 1690059128 JXCZFDOELOQBRY-IBGZPJMESA-N 428.552 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1690237161 WETSBPHSGWBHLP-CZAAIQMYSA-N 448.970 4.753 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCCCC2)CC1 1690306824 GNYROFPUNMQKCE-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1690308545 RHNDFBRUPXNIGX-GOSISDBHSA-N 440.617 4.830 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC=CO2)CC1 1690365646 CAFSFAICRXCBQD-MRXNPFEDSA-N 433.325 4.696 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1690465497 CKYHEDJUZQLCJE-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1CCC(OC)CC1 1690520202 NABPAMPRBPFWHF-UHFFFAOYSA-N 428.577 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCN1CCCC(C)(C)C1 1690559774 JQJXYANZASXJKN-UHFFFAOYSA-N 432.616 4.732 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1nc(C)cs1 1690607083 BSJCIRWUQCEOAX-MJGOQNOKSA-N 441.601 4.569 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)N[C@H](C)c2ccccc2)n1 1693175669 ACOSVICONNNRTH-VQTJNVASSA-N 431.588 4.516 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1nc(C)cs1 1705483347 SPBFERMRKYNCDS-DZGCQCFKSA-N 444.402 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 1705701601 HFNXGRDMTNHUMV-NBKJOAOTSA-N 443.680 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1705706004 OHVXHNIBQKKZSH-FBPBVXOASA-N 430.637 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccco1 1705706981 CBSJRPMMGPCLAK-QTTNWMCISA-N 442.604 4.968 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1705725757 POSBFHVTFDGAMU-DFNIBXOVSA-N 431.625 4.810 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@]1(C)OCCc2sccc21 1705799494 YIJHFQFTJKOADW-MBSDFSHPSA-N 430.618 4.514 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1705805388 GHESLRWROHRBRJ-LJQANCHMSA-N 433.641 4.964 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705812144 RQVBLFGLYFIWSZ-UYAOXDASSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1705814557 SOOQTOHVPHBPKT-UHFFFAOYSA-N 435.572 4.534 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1705822596 KOQHDWQTLCRODL-HXUWFJFHSA-N 428.920 4.648 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1Cc1cc(Br)cs1 1705863522 WEEDBGYIESFBHW-UHFFFAOYSA-N 447.402 4.880 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1CC(c2ccccc2)C1 1705864232 VFXMNUJZTKGNQQ-UHFFFAOYSA-N 449.624 4.864 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCc1ccccc1OC 1705865563 MNPXYQXDZCLKAD-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CC1([S@](C)=O)CC1 1705865874 ZRSDIKFLZBMOIL-LJAQVGFWSA-N 447.029 4.764 30 10 IJEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)CCO1 1708855603 ANKPREITJQZGQE-OZXSUGGESA-N 444.583 4.657 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2Cc2ccnc(C(F)(F)F)c2)c1 1712878140 GSOSGBYNBIBTLY-UHFFFAOYSA-N 448.399 4.514 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCc1nc(C)cs1 1722288856 ITJAKMBFOSRVML-GOSISDBHSA-N 432.597 4.683 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1722523634 DHWLPWKOHPHUOI-FQEVSTJZSA-N 439.604 4.685 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1722532250 GMQHAYHSPDEQHT-ROUUACIJSA-N 433.622 4.637 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)c2ncc(C)s2)CC1 1722575978 FLNJHUDEJVIXFR-HNNXBMFYSA-N 438.557 4.824 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722596931 BTPLSTYYPCOTNN-SFHVURJKSA-N 430.618 4.577 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722620858 SLWIKLIHQJFALT-FGZHOGPDSA-N 440.636 4.584 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCS1 1722634339 CTVBZXKFOZFJKZ-ZDUSSCGKSA-N 427.799 4.879 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@@H](c1ccco1)N1CCCCC1 1722657263 WGAPXVCWPKCXQX-QHCPKHFHSA-N 444.583 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1csc([C@@H](C)OC)n1 1722663468 XUGALPCZSVNOKT-CRAIPNDOSA-N 445.614 4.596 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCCC[C@@H]2C)C1 1722716168 UAPQESHRPNSLCY-XZOQPEGZSA-N 437.632 4.689 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722734506 ZRWPQJDXLVWKPD-CQSZACIVSA-N 431.915 4.691 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccc(Cl)s1 1722736238 XIXGGBZWOGBDLJ-UHFFFAOYSA-N 449.001 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCN(CCC(C)C)CC1 1740552675 REKYMKGOPWLCLW-FQEVSTJZSA-N 442.051 4.738 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC2CCCC2)CC1 1740711891 SXXFRINGXNRSKJ-UHFFFAOYSA-N 445.032 4.893 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1740745855 IFEJGZQWXYGDSO-FQEVSTJZSA-N 438.373 4.822 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(Cl)ccn1 1740753323 IETGGWWTJFQRJR-UZLBHIALSA-N 427.936 4.513 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC(C)(C)C1 1740789146 GUMXVPZWOAQSAD-UHFFFAOYSA-N 437.009 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(CC)Cc1cnn(C)c1 1740850088 CNWANWJDCJJNNX-UHFFFAOYSA-N 426.996 4.885 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1740854504 HCYZFOATEFTKSR-XZOQPEGZSA-N 434.588 4.640 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1Br)C1CC1 1740906293 FICSZOKOWFGVCB-UHFFFAOYSA-N 440.370 4.844 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)cc1F 1740925189 LEYKEDGMTHWPCE-UHFFFAOYSA-N 448.315 4.551 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)C(C)C 1740926730 JXZORUPMIXAIQH-TZRRMPRUSA-N 444.627 4.608 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@](C)(O)C1CCCCC1 1740935157 DAKWJMPFUUSOBB-HHHXNRCGSA-N 447.627 4.850 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC1CCCC1 1749124361 MYYOQPWTEWXRQS-NFBKMPQASA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC1CC(F)C1 1749134941 ACRXZQZJCPNFAF-GTJZEUBQSA-N 442.579 4.639 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749280248 FRAUCSSOJZOTMS-KRWDZBQOSA-N 444.023 4.537 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1749354294 MTZPTFYFRUNLJR-QZTJIDSGSA-N 444.551 4.549 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749355570 LOHCWNHVJIRSJP-HXUWFJFHSA-N 448.527 4.508 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C2CC2)C1 1749429221 JIPSHDXTFMRUNP-VQTJNVASSA-N 429.609 4.595 30 10 IJEE CC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1751291881 GYVJFHIFFYEUJC-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760158573 OUPUOBUYUVRKOE-XXBNENTESA-N 436.600 4.572 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(=C)CC1 1760275182 RRILOSLUFSGDAW-UHFFFAOYSA-N 431.609 4.875 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(F)cc(F)c1 1760335652 PIMFWMRFWSSOFJ-AVRDEDQJSA-N 439.510 4.544 30 10 IJEE C=C(Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 1760362232 DKMPDIRGDAMYQB-LJQANCHMSA-N 445.489 4.545 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[C@H]1C)C(C)C 1760488601 ZTPIWGHYESRNRM-SFHLNBCPSA-N 443.039 4.927 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1760507157 LOYMUYOVZQCDTB-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE CC[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl 1765024514 ASTYZKXGKKGPNH-UZLBHIALSA-N 436.947 4.569 30 10 IJEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1 1858905888 FTNNEKSJWYPROR-UHFFFAOYSA-N 425.366 4.516 30 10 IJEE N#Cc1c(Nc2cccc(-c3csc(CN4CCOCC4)n3)c2)ncc2c1CCCC2 1859511178 REMDDGCZXJOOHX-UHFFFAOYSA-N 431.565 4.531 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1C#N 1860628444 BXXPGMKWVOPJFI-UHFFFAOYSA-N 444.000 4.990 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860827499 SHBQLIOYOPJAIY-LBPRGKRZSA-N 440.912 4.502 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(F)c2)cc1 1862390437 CXEYLYFYCDAKJN-QHCPKHFHSA-N 438.543 4.698 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862506549 QCTIWNPFNYOLSD-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862642665 NLNZAWOYDASYDI-QFIPXVFZSA-N 441.499 4.857 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1c(Cl)cccc1Cl)c1cccc2ccccc12 1862659174 ZAWNXFSQBRGXAR-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOCC)cc1 1862682171 LYUOJRMLWXOXHC-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)c1 1862938024 CKEMVSCSPADCQZ-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccccc1C1=C(Nc2cccc3c2CCCC3)C(=O)N(c2ccccc2C#N)C1=O 1863065325 JEZICKQIANLVNO-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(CC)cc1 1865497426 OBSHCZFNLGXVSQ-JOCHJYFZSA-N 448.611 4.703 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1 1868680649 MVZMZLGMDTXQKD-DHIUTWEWSA-N 428.642 4.626 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)c1ccc(F)cc1 1870137437 NLRMYNXMYHTAMY-UHFFFAOYSA-N 447.857 4.763 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871004756 VWJNUTDZPXYMRM-UHFFFAOYSA-N 429.564 4.675 30 10 IJEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1871005456 HBLQCTCKPBNWKI-UHFFFAOYSA-N 443.330 4.836 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCOC(C)C)C4)C2=O)cc1 1871351691 PTQXXUJMJWYYKX-QRVIBDJDSA-N 437.536 4.977 30 10 IJEE C=CCN1COc2c(cc3c(c2C)O/C(=C\c2cc(Br)ccc2OC)C3=O)C1 1871356223 ZSWBKZMMONUSDA-GRSHGNNSSA-N 442.309 4.720 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)c1 1871363403 QMPIVIJGIPPGGK-PXNMLYILSA-N 443.666 4.596 30 10 IJEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871390848 LVKFVTPQKOGUQC-UUYOSTAYSA-N 443.455 4.787 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1OC 1871405120 NVBDBMRTPJCPNU-SGMWPGOQSA-N 445.471 4.726 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1871812570 UTHUSQFTEXUQOC-IBGZPJMESA-N 440.487 4.690 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872057045 YFASNKBONKRIAU-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872490220 LTBDREUSULAYSZ-GOSISDBHSA-N 441.018 4.940 30 10 IJEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759959 DNRXNYNXQSAZKC-IBGZPJMESA-N 437.477 4.762 30 10 IJEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1Cl 1872773666 ULQHYMQXPIVRDO-OAHLLOKOSA-N 426.881 4.756 30 10 IJEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c(OC)c1 1872775750 ZBGXCOCPLMVGCO-ZGRWHYIRSA-N 438.480 4.865 30 10 IJEE CC(C)OC(=O)Cc1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1872847489 OBQGCPGQYOKMQK-UHFFFAOYSA-N 428.488 4.884 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2Br)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203541 WIEGPNDWVGVVPA-UHFFFAOYSA-N 448.320 4.618 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873245286 DSWUFTLAZBGOKM-XCLFUZPHSA-N 439.437 4.746 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)c1 1873272252 HHFFGNKJYPMWNM-XMMPIXPASA-N 449.510 4.596 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCCCC)cc2)cc2c(NC[C@@H]3CCCO3)ncnc21 1873612280 MBZCHOXYLPNJBL-FQEVSTJZSA-N 449.555 4.639 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cc(C)ccc1O 1874231023 OKWDNQGZDBBRSW-FSJBWODESA-N 428.945 4.993 30 10 IJEE CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1c(F)cccc1Cl 1874261522 JYSUOCBPRNHNOH-NUGSKGIGSA-N 426.851 4.922 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cc(Br)ccc1O 1874322504 UJRYSMBQIQCZPW-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)OC)cc1 1874343129 ZYRBCGZYNXFDIJ-OEAKJJBVSA-N 428.945 4.693 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1 1874368300 TYTQSGYHUCRZCO-FSJBWODESA-N 428.945 4.772 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc[nH]1 1874393012 ASNLLZZYZLZUEP-CMPFEXHJSA-N 444.564 4.679 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@@H]1CCCO1 1874450546 FAHWEHNFGMXNPO-KCDOPAPYSA-N 442.928 4.656 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccco1 1874465785 AZSGEGCWXGKAIB-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2)cc1C 1874493259 CNPMVQBYQRDFBO-DHRITJCHSA-N 437.544 4.915 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874493472 NXFPFYZDHOKCGP-BUVRLJJBSA-N 427.618 4.686 30 10 IJEE Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccco2)ccc1F 1874581477 PIXIARONNRXXCM-VMPITWQZSA-N 427.859 4.972 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)COc2ccc(Cl)c(C)c2)c1 1874732136 RLRMCEOPRLYWKF-UHFFFAOYSA-N 427.928 4.880 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccn1 1875099672 SLCWJHXHCULEKK-DHZHZOJOSA-N 433.460 4.613 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)C(F)(F)F 1875147924 SHMCNSWEZYIOLH-FNORWQNLSA-N 448.393 4.559 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)c1cnccn1 1875191857 IBDZUNZQINCYKK-JXMROGBWSA-N 440.455 4.762 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]21 1912180693 FAKLUJWJFWQCFJ-GSHUGGBRSA-N 448.568 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1cc(Br)ccc1OC 1922106358 CDMMMSIOJALFEO-VXKWHMMOSA-N 434.374 4.632 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)[C@@H](CN)CCC12CCC2 1924928833 ZBDYZUZKHYVGMS-VFNWGFHPSA-N 434.378 4.992 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1987472172 XDQNQDFRVAMFFQ-YADHBBJMSA-N 432.681 4.736 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H](C)C1CCC(NC(=O)OC(C)(C)C)CC1 1991580819 DODQKEURHZFVAL-VIQWUECVSA-N 425.614 4.519 30 10 IJEE C=C(C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC)OC 2051377915 FDSKVUNTESCBED-QHCPKHFHSA-N 445.648 4.854 30 10 IJEE Cc1cc(C)c([C@@H](C)n2nc(C(F)F)c(C=NO)c2I)c(C)c1 2079881355 UOKRBRABVCLWAD-LLVKDONJSA-N 433.240 4.768 30 10 IJEE C[C@@H]1C[C@H](CNc2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2115817393 GLZXTIAMMRNBNT-CHWSQXEVSA-N 426.330 4.907 30 10 IJEE Cc1cccc(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c1NC(=O)OC(C)(C)C 2124534822 JVECBDJIIQDGQG-PIIMJCKOSA-N 442.365 4.506 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)CN1Cc1ccc(Br)cc1C#N 2174563145 RUGPOOGAPUJFKN-RBUKOAKNSA-N 436.394 4.931 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)ccc2C)CCN(C(=O)OC(C)(C)C)CC1 2174760276 IVWRJQSKPWNVCM-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE CCc1ccc(C#C[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1 2223358522 GINUTRCFOPMDSM-DCEDVJGZSA-N 436.596 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@H](N)C#Cc1ccccc1Br 2235720004 GZSJRQCJLBJQMK-IEBWSBKVSA-N 447.398 4.724 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)C#Cc3ccccc3Br)cc2C1 2235733350 UCJXHABIWNAHAM-UHFFFAOYSA-N 426.310 4.934 30 10 IJEE CN[C@@H](C#Cc1ccc(C)cc1)c1cc(I)ccc1Br 2239623246 VASPSTLJAAOVOY-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE CC1(C)OB(c2nc(NC(=O)c3cc(Cl)sc3Cl)ccc2Cl)OC1(C)C 2241217180 OEKXKVODNHQOPA-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE C#C[C@H](C1CC1)N(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925673 ZFFPNDZCCKDNHY-CLJLJLNGSA-N 444.575 4.810 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)c2C1 2267116485 TUPMSYHLWUNREJ-QAQDUYKDSA-N 442.365 4.748 30 10 IJEE C=C(CN(C)C(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 2268643431 XOWNOVCTAUFFRD-QGZVFWFLSA-N 444.381 4.532 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(OC)c1 2281454655 HBGYIXYIHHBEMB-IEBWSBKVSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](O)(C#Cc2cccc(Br)c2)C12CCCC2 2296217129 QXZFBJQMVVIMPQ-QFIPXVFZSA-N 434.374 4.875 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@H](N)C#Cc3cccc(Br)c3)(C2)C1 2296228353 YEHRNVCLDKNJIZ-LRXVAGHRSA-N 433.390 4.555 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2296267308 ROKZOMOXGVJSHE-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)C#Cc2cccc(Br)c2)C12CCCC2 2296272686 LUCMTBKZXMMEKB-RTBURBONSA-N 433.390 4.698 30 10 IJEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1 2297745504 JSQQSCLGBSVVMK-LJQANCHMSA-N 444.325 4.680 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2305404671 XVCDMFFXMABCSF-SQJMNOBHSA-N 428.573 4.698 30 10 IJEE C=CCOC(=O)C=Cc1ccc(OCc2cccc(F)c2)c(I)c1 2314014268 NALKWIRYUQQJME-UHFFFAOYSA-N 438.236 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317336384 VDOMOMAZCJBPJJ-HHNLSAEISA-N 430.354 4.505 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317345758 YPFIFSHPZGZSPP-MSOLQXFVSA-N 430.354 4.551 30 10 IJEE Fc1ccccc1COc1ccc(C=Nn2c(S)nnc2CCOc2ccccc2)cc1 2322024079 ZOJGYGRKYHYPLG-UHFFFAOYSA-N 448.523 4.789 30 10 IJEE CCC(=O)Oc1ccc2c(c1C)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2322634943 URXHHMQSEUZVFS-UHFFFAOYSA-N 445.265 4.556 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323370420 FQYZDMZQKXCYGU-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE COc1ccc(C=C2Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c(OC)c1 2324055165 MKYLYRRJTDAGIF-HZPDHXFCSA-N 437.536 4.812 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc5c(c4)OCO5)c3C)C2=O)cc1 2325182527 BFFUSBRCUHZBJQ-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1nc2ccccc2s1 2325589842 IAWJARVRBRUHRQ-UHFFFAOYSA-N 434.498 4.992 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1ccc(Cc2ccncc2)cc1 2325702778 RLJUBCXATJHZNC-UHFFFAOYSA-N 439.284 4.795 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1sccc1C 2325922912 WOCSCMVQYLJMKR-GOSISDBHSA-N 439.610 4.548 30 10 IJEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2O)cc1 2326688928 QKCYFGPCZNBBHL-UHFFFAOYSA-N 425.517 4.621 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C=Cc2ccc(Cl)cc2)c(C(=O)OCC)c1C 2326821080 MECLXHLYODITDP-UHFFFAOYSA-N 433.913 4.881 30 10 IJEE OCCCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(C(F)(F)F)cc1 2330282969 GYBRYEGQWCUVJB-UHFFFAOYSA-N 426.508 4.776 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccccc1F 2330645781 ZWHXJEMWIAOVTE-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)c1 2330889064 YVNLLGNCIWTELY-NRFANRHFSA-N 438.553 4.630 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339601479 YNTVYSSABWKGIK-VUDPSUQNSA-N 444.381 4.798 30 10 IJEE Cc1cccc2c1N(C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)CCN2C(=O)OC(C)(C)C 2352853777 ZBGPFPPCFIMEFQ-DLBZAZTESA-N 442.365 4.565 30 10 IJEE CC1(C)OB(c2ccc(NC3CC4(C3)CC(OCc3ccccc3)C4)c(C#N)c2)OC1(C)C 2364938810 GERMTOPDFNEILA-UHFFFAOYSA-N 444.384 4.797 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccccc1C(=O)O 16931914 MTEDRJBZRCLLIQ-LCUCDLPVSA-N 431.311 4.771 30 10 IJEE CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)c(OC)c2)C3)c1 21226077 SWHCOOZXLMOEAG-FPOVZHCZSA-N 449.547 4.885 30 10 IJEE C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C 22795202 KQWVAUSXZDRQPZ-BCQCSXDESA-N 449.639 4.847 30 10 IJEE biogenic,in-vitro C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2Br)nnc1-c1ccco1 28503561 CAEFXANHLKDKOJ-LBPRGKRZSA-N 433.331 4.606 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C(C)C)cc2)c1 35275238 NBXVHQVGVOBHER-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 35444346 ZXOAMJCJZFAKNM-XWDDPXMASA-N 429.472 4.856 30 10 IJEE N#Cc1c(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)sc2c1CCCC2 40179439 LNTSLIRCFCZLBT-UHFFFAOYSA-N 425.517 4.999 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(CCC#N)C2)sc(C)c1-c1ccc(F)cc1 62039383 VOHLPJIBLLSOCV-KRWDZBQOSA-N 443.544 4.604 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 63402016 LYXSAPZUQHLYTE-QGZVFWFLSA-N 427.501 4.849 30 10 IJEE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 104459507 HAODWTMRARFJTN-WOJGMQOQSA-N 441.878 4.833 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(C#N)cc1 169945640 PPGDXROPVHOSAO-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(C)c2)ccc1Cl 170139677 LJNJBIXSTUNEBU-NRFANRHFSA-N 443.927 4.660 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170151438 GFZQRLCMVAYFIW-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)c(C)c1 170154146 QBDGIDZOWWZZCD-IBGZPJMESA-N 425.531 4.905 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)c1 170169013 FFONYDDRFTUWMA-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)ccc1Cl 170170401 SOMAUZOEVFMWTQ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)cc1 170170591 KJQJHCVPZANXOK-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(C(C)C)cc1 170244611 QQUFOLUKJJNPOY-HSZRJFAPSA-N 432.520 4.906 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)c1 170274483 HGDVLXGFFDKRKJ-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1C 170292744 ICWUKAGBAWBPMI-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1cccnc1 170317020 SAICOYUKAHHAKJ-QVKFZJNVSA-N 446.528 4.553 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OCCCO)c1 170325266 JRJYOTUNXMOTKW-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(N2CCCC2)cc1 170396430 MUQTXVQOKMMFOD-QHCPKHFHSA-N 428.488 4.971 30 10 IJEE C=C(CNC(C)C)COc1c(Br)cc(Br)cc1Br 231505392 TTZAOVOHRFIEGX-UHFFFAOYSA-N 441.989 4.907 30 10 IJEE Cc1ccc(C=NNc2nc(Nc3ccc(Cl)cc3)nc(-n3nc(C)cc3C)n2)cc1 252627374 RSXPFGJZSBMCPY-UHFFFAOYSA-N 432.919 4.826 30 10 IJEE CC(=NNS(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2Cl)c1 254709096 AVHDCMJOXPZXRP-UHFFFAOYSA-N 441.940 4.603 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCC23CCC3)c1 444615567 GWDHWQJKASBKPC-UHFFFAOYSA-N 444.984 4.880 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 460561804 GLNVYBPBPKDGQF-BJESRGMDSA-N 436.600 4.883 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503100568 CRQMZDZKKZVAHU-PEBXRYMYSA-N 431.533 4.697 30 10 IJEE CC(C)(C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1cc(F)cc(C#N)c1 509114844 XKUBZCDQJAQASN-KRWDZBQOSA-N 436.462 4.570 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C2CCOCC2)CC1 515437233 SKGZXMLSPRIARK-UHFFFAOYSA-N 430.980 4.730 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 515666754 NBMQCVUMYDVZBZ-SFHVURJKSA-N 433.474 4.540 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526825274 QFADKXXMNMEKJP-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCN(CC(F)F)CC1 555255116 CBLLZMXEZBBWCR-GOSISDBHSA-N 441.526 4.535 30 10 IJEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cc(OC)cc(OC)c2)cc1 586239426 FXAZOEYXMBJEIS-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1CC#N 687752974 RXRMREAZXCCWMQ-HHHXNRCGSA-N 440.499 4.981 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 698370819 CMGGWGNOOROJBM-KOSHJBKYSA-N 429.561 4.963 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)SC1=Nc1cccc(C(F)(F)F)c1 725410499 AIYROJRKXMIVEF-HNNXBMFYSA-N 441.862 4.949 30 10 IJEE CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739594267 GDZLYMBQKIXHSP-UHFFFAOYSA-N 428.517 4.801 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(c2cc3ccccc3[nH]2)CC1 744228188 DMLVXARUEREYFO-LJQANCHMSA-N 430.552 4.691 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 750296290 ZDNQLAMDXOTCQV-IBGZPJMESA-N 427.430 4.758 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(CC3(COc4cccc(COC)c4)CCC3)cnc21 763258323 UXYLCVFYOOAJQH-UHFFFAOYSA-N 443.594 4.571 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CCCN3c3ncnc4ccccc34)n2)cc1 783077430 QRPAORDJYPCGIC-SIKLNZKXSA-N 439.544 4.907 30 10 IJEE N#CCOc1ccc(Cl)cc1CS[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 786798409 BBPAOAAFCHXUAE-HXUWFJFHSA-N 436.911 4.945 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 812185835 DEMIUBOUYNBORV-NFBKMPQASA-N 445.567 4.663 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCc3nc4c(C)cccn4c3[C@H]2CC(=O)O)c1 821244573 KDYQOSQQAUQITJ-OAQYLSRUSA-N 446.551 4.695 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc(Br)cc2Cl)CC1 919492850 CBXRWVFHECQUTD-MLZJXEJWSA-N 441.753 4.579 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C)nc1Br 1125672053 AAOLXRZDHMGKMD-UHFFFAOYSA-N 442.126 4.883 30 10 IJEE C[C@H](NC(=O)COc1cccc(Br)c1C#N)c1ccc(Cl)c(Cl)c1 1127391683 GOXZQUFIOKPFBD-JTQLQIEISA-N 428.113 4.884 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1128579938 AAQRPDFAAFEQGV-GOSISDBHSA-N 437.540 4.513 30 10 IJEE C=C[C@H](OC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1)c1ccccc1 1130934944 ZZBVICFMKLESAI-UIFIKXQLSA-N 443.565 4.636 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1OC 1131612762 RTLMDTSRZLGIJY-QBFSEMIESA-N 444.572 4.617 30 10 IJEE Cn1cc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c2C(=O)OC(C)(C)C)cn1 1134977996 GZKNXQNGQLYKKC-ZWKOTPCHSA-N 448.548 4.718 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(F)c(Br)ccc3[nH]2)cc1 1136097618 NZKPPMLYMZCWSG-UHFFFAOYSA-N 431.265 4.629 30 10 IJEE CCCOc1ccc(C(=O)CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 1137579009 FCFGDSSILZNOJX-UHFFFAOYSA-N 432.451 4.891 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(Oc2cccc(Br)c2)cc1)C(=O)OCC 1158280911 MIDGEBCRVONZFB-IBGZPJMESA-N 432.314 4.869 30 10 IJEE N#Cc1cccc(COc2cccc(CNC3CCN(Cc4cccc(C#N)c4)CC3)c2)c1 1179052724 CYQJIGBHXPDQQD-UHFFFAOYSA-N 436.559 4.763 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 1186556945 IWBHVZMYEAGETJ-UHFFFAOYSA-N 426.881 4.625 30 10 IJEE COc1ccc(-c2nc(S[C@@H](C#N)CCc3ccccc3)n[nH]2)cc1Br 1189275652 FGZQLODXKFMXKS-OAHLLOKOSA-N 429.343 4.860 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H]1CCCN(Cc2ccccc2)C1=O 1190753828 WRWSOBWTXPYOGF-OAQYLSRUSA-N 431.349 4.767 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(Cl)cc1F 1197661430 KJJJNTLCMAXQFA-FQEVSTJZSA-N 434.920 4.691 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(-c3nnc(C)o3)c2)cc1OC 1201331300 MZNFCJLWKIJRIM-UHFFFAOYSA-N 430.302 4.993 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)[C@H]1CCCO1 1203436810 WWUUXZXUDMTVOW-GOEBONIOSA-N 434.949 4.584 30 10 IJEE C#CCN(C(=O)Nc1cccc(C(=O)OC)c1Br)[C@H]1CCCc2ccccc21 1204798294 VXPKPENMJRTPRB-IBGZPJMESA-N 441.325 4.780 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1)c1ccccc1 1206121195 CFXPFPFZVQWCSR-IBGZPJMESA-N 443.732 4.843 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1 1211565807 COWRQQASPKMFCN-UHFFFAOYSA-N 443.521 4.617 30 10 IJEE C=CCCCN(CC)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1214219226 YKOWNPXUEMSDAS-GHDARCQNSA-N 433.618 4.610 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1ccc(Cl)cc1F 1223066811 RRESHHUSUGNUFQ-PMACEKPBSA-N 431.298 4.592 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1cc(F)ccc1Oc1ccc(Cl)cc1)[C@@H]1CCCO1 1226724840 OBQUWOBQCDPCET-UNMCSNQZSA-N 430.907 4.984 30 10 IJEE C#CC[C@H](NC(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1230567025 ZPAOVXBULNTEBE-FUDKSRODSA-N 441.934 4.593 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1)c1ccccc1 1254755576 RUMYDSSXCKLOOD-IBGZPJMESA-N 427.570 4.916 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)cc(C)n1)c1ccc2c(c1)OCCO2 1264221053 DNOCOXFDAFXGRK-UHFFFAOYSA-N 430.504 4.881 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(OCCOC)c3ccccc3n2)C(F)(F)F)cc1 1272443594 LJZUHCNRYPOBMC-OAQYLSRUSA-N 429.394 4.702 30 10 IJEE Cc1cc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)ccc1-n1cnnn1 1277202079 DVSJSVVTOAAFMG-UHFFFAOYSA-N 447.314 4.512 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1cccs1 1286282922 PNXYUGWWWYXMBE-RNODOKPDSA-N 435.380 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C1CCCCC1 1286302931 BAUCQBUJWWWKNN-GOSISDBHSA-N 446.064 4.946 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1Br 1286555945 MSJJJDJASXXKMK-IEBWSBKVSA-N 431.378 4.536 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1286587442 JJDLRZQIVHBFIA-ICSRJNTNSA-N 435.572 4.789 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1286705024 NGSHCJCXGWIZCP-NHCUHLMSSA-N 441.576 4.750 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1286721690 CQRNGHHTUKOBAH-UGKGYDQZSA-N 434.588 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC1(SC)CCC1 1286742648 NMSHEUDGUIOWGE-UHFFFAOYSA-N 430.581 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCCc1ccccc1F 1286749372 QHRORYGLYDLPAI-LJQANCHMSA-N 426.561 4.808 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCCC1CCOCC1 1286749559 WFKZPPAAZCGEHP-HXUWFJFHSA-N 430.618 4.633 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1N(C)CCCC1(C)C 1286761422 YKBBTLVUTRTCDZ-DEOSSOPVSA-N 446.643 4.639 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 1286800936 TXWDFVPQUGCUJI-YTFSRNRJSA-N 438.616 4.833 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)C1 1286808450 WODJLWBPIWNJFS-KNQAVFIVSA-N 433.021 4.589 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)CC1 1291142293 BFXIPAPJRHJEBL-UXHICEINSA-N 432.572 4.728 30 10 IJEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC#N)CC1 1291386896 DKJBHZXXOTXVNP-WAIKUNEKSA-N 445.995 4.534 30 10 IJEE C=CCC[C@@H](NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)c1ccc(C(F)(F)F)cc1 1295386117 ZERQEQKDDDYUFY-QGZVFWFLSA-N 442.478 4.513 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCCc1ccccc1 1300443915 PJOFNPLXUFIWLB-UHFFFAOYSA-N 429.387 4.861 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)C(F)(F)F 1300547874 RZGOJTCTEOPYNY-UHFFFAOYSA-N 440.922 4.885 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1300763449 WKDICPHYSPOHNT-FQEVSTJZSA-N 434.556 4.581 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1300881652 QBEDRFMESDVFLA-ZYKOEDHHSA-N 449.599 4.578 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1nnc(C)s1 1300905445 RCFLUXBGLKDRKV-HNNXBMFYSA-N 442.658 4.936 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1301186896 LHXXATKJUMYXMO-SIKLNZKXSA-N 440.588 4.887 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(F)cn1 1301273750 WUSPOHKJSUIAJY-MRXNPFEDSA-N 429.927 4.893 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCO1 1301374644 CXJFBMFMCJSNGA-FQEVSTJZSA-N 435.341 4.594 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nc(C)c(C)s1 1301416456 HCEDRELXRBHUIK-UHFFFAOYSA-N 437.613 4.509 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1305476388 DYHNRMBRNPPQBL-NYDSKATKSA-N 429.012 4.878 30 10 IJEE CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCN(c2ccc(C#N)cc2F)CC1 1308614755 DAWRSEONZLZNGR-UHFFFAOYSA-N 431.559 4.562 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc1 1310888241 DHKOJZJOGYGXGG-UXHICEINSA-N 443.956 4.775 30 10 IJEE C#CCC1(NC(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)CCC1 1311450207 ARRUENTVNRNIAD-NRFANRHFSA-N 439.650 4.815 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc(Br)cc1C 1311797672 RLWOFXAJSNXYKM-UHFFFAOYSA-N 444.373 4.874 30 10 IJEE C=CC[C@]1(C(=O)Oc2cccc(OCC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1352970439 RUESVHHQZVMPFB-HXUWFJFHSA-N 429.435 4.879 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCC(F)(F)C1 1358884810 XLLGXCHDBYWQPA-MOPGFXCFSA-N 438.526 4.804 30 10 IJEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCCC(C)C)CC1)c1ccccc1 1359139569 WUZNCQFDENQIRR-QHCPKHFHSA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359199895 LLBIPGHRUFMTMQ-VWLOTQADSA-N 440.588 4.714 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359223800 WLQPHZSPNWJGMV-NZQKXSOJSA-N 437.632 4.508 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1cccs1)C1CC1 1359252796 GZNSUNQLFDKSRK-UHFFFAOYSA-N 433.581 4.923 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@H](C)C1 1359260293 ZDTBMMQOXKKQBM-UXHICEINSA-N 437.563 4.821 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)cc2F)C1 1359323306 LNJQKVMQPSEIEP-GOSISDBHSA-N 432.952 4.553 30 10 IJEE Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)nn1-c1ccccc1Br 1434881534 DRTSHAPVFXFNMP-UHFFFAOYSA-N 439.313 4.854 30 10 IJEE C=CCCO[C@H](C)C(=O)Nc1ccc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 1455625102 IDRCQAHRNAPCEY-MRXNPFEDSA-N 442.560 4.597 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2I)cc1 1457561922 HCWUWKXRYWPMST-UHFFFAOYSA-N 425.653 4.599 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccc(CC)cc3)nn2-c2ccccc2)C1 1460288548 DXVTZFPIPNRLJM-JOCHJYFZSA-N 426.564 4.776 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2COc3c(cccc3OC)C2)cc1OCC 1461146627 PXOSLCSJFCQLIC-KRWDZBQOSA-N 448.357 4.515 30 10 IJEE C#CCOc1ccc(CN[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)cc1 1461180198 DQHWZYVSDCWCLM-AJTFRIOCSA-N 432.608 4.684 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 1461905444 ACZWYZGQHMLVPY-JOCHJYFZSA-N 429.347 4.953 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)CC=C(Cl)Cl)c1 1462722879 MMVWNVUAKZZLAP-UHFFFAOYSA-N 427.305 4.510 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCCN1C(=O)OC(C)(C)C 1465448285 LMPOUHCNYZUMJL-QHCPKHFHSA-N 431.964 4.826 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 1467931687 FOGVROGDOZVQLK-UHFFFAOYSA-N 427.504 4.843 30 10 IJEE N#C[C@H]1CCCN(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 1468336337 CRGUNRUROSTNHR-GOSISDBHSA-N 433.943 4.680 30 10 IJEE COc1cc(F)cc(C[C@H](C)NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 1468925078 HMDPXXFMXANSOK-INIZCTEOSA-N 443.950 4.713 30 10 IJEE N#Cc1ccc(N2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1Br 1472798266 DMJKCPLGBMVMRW-QGZVFWFLSA-N 427.220 4.797 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@H]1CCO[C@H](c2ccncc2)C1 1472934649 JMRKSFBRHDEHJM-PXNSSMCTSA-N 426.517 4.590 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)C1 1475814687 PDHNUSTZBDHIOM-CQSZACIVSA-N 433.405 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCn2cc(C)nc21 1507525294 AFFDEBYHLHLITQ-HOTGVXAUSA-N 443.382 4.792 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C(CC)CC)no1 1507545053 BFBCPXNRDDCESP-OZOXKJRCSA-N 427.593 4.595 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1cccc(C(F)(F)F)n1 1507697842 CXZDAMFXCHRFNT-UHFFFAOYSA-N 445.514 4.800 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCOc1ccc(Cl)cc1 1507774085 SCLLFBXVDMVDRP-JOCHJYFZSA-N 426.973 4.655 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CCCOc2ccccc2C)nnc1C(C)(C)C 1507808778 HTHMRYOAFZWPQG-RBBKRZOGSA-N 426.605 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1snnc1C 1507823031 CCQCLOHTMGCLHX-UHFFFAOYSA-N 435.022 4.834 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@H](OC)C1 1507840220 YEVBHEWKOLFBRK-CMKODMSKSA-N 444.645 4.585 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1507853153 AONLDJXAHIOINR-RTBURBONSA-N 436.991 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1507900607 RNKGWQCOEXCHNK-QHCPKHFHSA-N 441.963 4.513 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OCC=C)C1 1507943975 KLGJGYKJRPYTFJ-INIZCTEOSA-N 435.341 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1507998687 IFHOZEYNCWOGMC-REHUZNOOSA-N 449.599 4.788 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(C(C)(C)O)cc1 1508008958 LXWBINSIMOFDNA-UHFFFAOYSA-N 445.592 4.870 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1Cc1cnccc1OC 1508028986 XDAMHUZHNXTVAW-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)cc1 1508034986 YTEGZOFNKFENHW-IBGZPJMESA-N 426.948 4.506 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(=C)Cl)C1 1508113088 DVZQRTHFGGIZES-SFHVURJKSA-N 441.988 4.911 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccccc2C1 1508150949 SOSVTVZGCLLEQV-UHFFFAOYSA-N 444.402 4.518 30 10 IJEE C#CCOc1ccc(COC(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)cc1 1515072351 QLARYJHOFNJRPP-UHFFFAOYSA-N 430.291 4.506 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1520003415 QFWXIYWMOBYOOX-FQEVSTJZSA-N 438.450 4.866 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)C1 1524878546 BIBSGIHDTPGXBZ-FCHUYYIVSA-N 425.573 4.519 30 10 IJEE N#Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)cc1Br 1525338703 CTJHVVLMUICLCX-JOCHJYFZSA-N 439.284 4.744 30 10 IJEE C=CCOCCNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1529891386 KUHFCDNADNKRRX-UHFFFAOYSA-N 449.498 4.514 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cn1nc(C(F)F)cc1C(F)F 1533318336 HKQHKSQLMNREPB-UHFFFAOYSA-N 433.365 4.764 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1534731620 NDJIDTCKYORQKC-HXUWFJFHSA-N 430.442 4.530 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 1536563151 JVIGKBROUSQLRS-JOCHJYFZSA-N 442.600 4.870 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1537131282 QSDRBPIDFBWBKM-UHFFFAOYSA-N 445.283 4.771 30 10 IJEE C=CCN(C(=O)C1(Cc2ccc(Cl)cc2)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1537317595 XTLXIWXJSQQZDL-QFIPXVFZSA-N 425.956 4.852 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1C(F)(F)F 1539647702 XWRIAMPXPSKMKG-GHTZIAJQSA-N 434.506 4.867 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1539774867 FXYJRYYODSUUCC-AWEZNQCLSA-N 448.329 4.921 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1539888223 NWKADAWPVZMPAH-PZJWPPBQSA-N 428.552 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)OC(C)(C)C1 1539906504 PQBMOJDLCRMJLN-GOSISDBHSA-N 434.588 4.941 30 10 IJEE Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1539917135 BBMKYEXMFCZJFU-UHFFFAOYSA-N 448.477 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1539929555 XXQRDYCWTGGEEZ-FQEVSTJZSA-N 442.579 4.851 30 10 IJEE C=CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1540114268 KCJFORNMYIJVQY-GBXCKJPGSA-N 438.616 4.896 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2cccc(C)c2)C1 1540887135 QMRYDIDLTIKYAD-NQIIRXRSSA-N 437.975 4.887 30 10 IJEE CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1545772429 AHNIWLBRVWRDQJ-DEOSSOPVSA-N 447.587 4.670 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 1546202480 HHSWWHMZGYORQY-UHFFFAOYSA-N 438.478 4.958 30 10 IJEE CC(C)n1c(O)nc2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc21 1546342060 SWEYMUSSDPWOQN-HSZRJFAPSA-N 440.503 4.896 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C 1559330343 WBHXDZUHPMODMD-UHFFFAOYSA-N 441.984 4.864 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1564979127 IUPYFECCQZVYML-CUWPLCDZSA-N 439.353 4.721 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)c1ccc(Cl)cc1F 1565002545 LFYMTUXSQDYXRG-IPMKNSEASA-N 441.717 4.760 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(OC)[C@@H](C)CC)c1 1566351947 IYHQYCIFYQQPOZ-INIZCTEOSA-N 436.961 4.523 30 10 IJEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1566677942 CHOGYZBRLREGOY-HNNXBMFYSA-N 443.931 4.895 30 10 IJEE COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C#N)ccc2F)c1 1583534142 DPFMGTGKZLCIDA-UHFFFAOYSA-N 442.450 4.820 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)CC#N 1585360878 DWLLWXWHEPMWTL-MHECFPHRSA-N 433.552 4.700 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(C#N)C1 1585376124 IXJPUIMDBYUYDG-SHQCIBLASA-N 445.563 4.702 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)OCc2ncc(Br)cc2Cl)cc1OC 1586355157 WUEDWWRKRQVKDE-ALCCZGGFSA-N 438.705 4.828 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(Br)cs1 1587574336 GLNKCVAHLMBLAQ-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCCS1 1588452080 MKGWGLJRBDYFMP-MRXNPFEDSA-N 439.412 4.909 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCCN2CCCCC2)CC1 1594128234 OTESIKOYSAMGMD-UHFFFAOYSA-N 437.632 4.978 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1594241467 RDTPUEYIDUATGJ-JPYJTQIMSA-N 428.527 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1594511380 PVUBGLBZDQVVIS-IBGZPJMESA-N 447.505 4.720 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1594614803 AMDNLPSBPVLOLT-UGKGYDQZSA-N 426.561 4.542 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1594997756 MQZSYHTZGFYQRT-JOCHJYFZSA-N 435.572 4.608 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H](C)CN1CCCCC1 1595127636 WXFGUQDCMNCRSI-NRFANRHFSA-N 448.590 4.794 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1595851249 ZHJKJBYQDQSNEF-VDGAXYAQSA-N 427.574 4.787 30 10 IJEE C=CCn1c(SCCO[C@@H]2CCOC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1613221192 SWNSBDNRDDNAGS-QGZVFWFLSA-N 446.569 4.656 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 1616323672 VGACPPVTLZVUID-UHFFFAOYSA-N 425.554 4.825 30 10 IJEE Cc1cc(C)cc(-c2cc(NC(=O)CN3CCC[C@@H](CC#N)C3)n(-c3ccccc3)n2)c1 1620412803 BQCUEEIDBHCRPL-NRFANRHFSA-N 427.552 4.720 30 10 IJEE C=CCCC[C@@H](C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1)c1ccccc1 1625029344 RVVJIFPUISMSTP-TZIWHRDSSA-N 429.358 4.964 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 1625277704 MEEKDQMOQYVSHP-UHFFFAOYSA-N 439.918 4.991 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 1625509571 HRAIIWIISAZFGO-FGZHOGPDSA-N 449.551 4.703 30 10 IJEE C=CC(C)(C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1629449457 QADVBGAFWGOYIV-DHDCSXOGSA-N 427.353 4.748 30 10 IJEE C#CCOc1ccccc1CNC(=O)CC[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1633750969 IKGVWYSISXIVPM-QFIPXVFZSA-N 442.600 4.959 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](CC)c2ccc(F)cc2)CC1 1633874041 YQCSCHUEMDKJEW-FGZHOGPDSA-N 447.595 4.671 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(Cc2nc(-c3cccc(C)n3)no2)CC1 1634487359 PMZSYFPPRQZDGY-UHFFFAOYSA-N 434.565 4.813 30 10 IJEE C#C[C@H](C)N(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1639772539 NXYVHLRNXCGCGH-AFMDSPMNSA-N 438.527 4.747 30 10 IJEE C=CCC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)C(=O)OCC 1640863235 GGHFSWIGNLHIBW-QWYDYZLZSA-N 430.504 4.942 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(O)nc2c(Br)cccc12)c1ccccc1 1646627247 ZXBORRPIACGRMG-AREMUKBSSA-N 431.311 4.556 30 10 IJEE C=CCn1c(SC[C@H]2CCC[C@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CCC3 1652447860 UVDWZEWHONVJPB-BXUZGUMPSA-N 430.517 4.725 30 10 IJEE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Sc1cc(C#N)ccn1 1652603176 HMIRXUOXBFDCCT-AWEZNQCLSA-N 437.546 4.978 30 10 IJEE Cc1cc2c(cc1Br)N(CC(=O)Nc1sc(C)c(C)c1C#N)C[C@H](C)O2 1657508984 HDOGFNCMAWHWGN-NSHDSACASA-N 434.359 4.534 30 10 IJEE C=CCN(Cc1sc(N2CCCC2)nc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1658867365 XRTCPLGOLPBNPS-SFHVURJKSA-N 434.005 4.559 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 1660213376 ZZHCLTIULRHQPH-SFHVURJKSA-N 427.994 4.512 30 10 IJEE CCCc1c(NC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)cnn1-c1cccc(C#N)c1 1660854173 HRFRVFDPXCLLGK-FQEVSTJZSA-N 449.477 4.708 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC1(c2ccc(Br)s2)CCC1 1667563078 KOBCEZKAFPPTAN-UHFFFAOYSA-N 437.334 4.905 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cnc(OC)c(Cl)c1)c1ccc(C(F)(F)F)cc1 1668175989 BWYFPHXMOWCBOW-INIZCTEOSA-N 434.867 4.748 30 10 IJEE CCCc1c(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cnn1-c1cccc(F)c1 1668241043 HUOFKORJEVNSOE-UHFFFAOYSA-N 446.530 4.626 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)N(C)CCO2 1669130149 SQOSLHGRSXUWBA-UHFFFAOYSA-N 434.309 4.637 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(C)(C)C)nn1)[C@H]1CCOc2ccc(Br)cc21 1669345863 UATWDLLGLGQCMC-INIZCTEOSA-N 443.345 4.528 30 10 IJEE CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1671555818 IAOOIHHOQYWOCM-MOPGFXCFSA-N 448.567 4.842 30 10 IJEE CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC1(CC#N)CC1)N(C)C 1672296938 GGCUOJMAEJNYEZ-IBGZPJMESA-N 425.404 4.785 30 10 IJEE C#C[C@@H](NC(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 1674021294 XHLTWYNPFCATAK-MRXNPFEDSA-N 425.838 4.585 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1CC1(O)CCCCC1)c1ccc(Br)cc1 1674030291 CLGUXZSLECLJFL-UXHICEINSA-N 433.390 4.773 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(CSc3ccc(F)cc3)cc2)c1 1678375249 WEIDLRGNPPTVGY-UHFFFAOYSA-N 433.508 4.860 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc(OCC)cc1)c1cccc(Cl)c1)C1CCOCC1 1679273645 AELVUXYNUZUFBQ-PKTZIBPZSA-N 426.944 4.556 30 10 IJEE C=CCSCCNC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1680018117 ZAUNSKPLSMQELY-QFIPXVFZSA-N 430.017 4.676 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 1680303274 RAZSSZXOJQOMBO-HNNXBMFYSA-N 430.321 4.789 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](NC(=O)OCC)C1)c1ccc(C(F)(F)F)cc1 1680856445 ZRCKOWKQDIZSJF-ROUUACIJSA-N 427.467 4.633 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12)c1ccc(Br)cc1 1686773207 LPRIGXKCHUHKIX-VLIAUNLRSA-N 442.332 4.685 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)OCCc2sccc21 1689840198 UVVXHVQGWKFBJI-JLCFBVMHSA-N 444.963 4.745 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(OC)C1 1689880237 WKHOMBVRFCLIJX-IBGZPJMESA-N 437.407 4.578 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCc1ccc(Br)s1 1689952578 LNNYDURDYUOJMS-UHFFFAOYSA-N 429.387 4.644 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC1(C)C 1690034780 RFUILDSIRUIWBX-JOCHJYFZSA-N 425.580 4.862 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H](SC)C(C)(C)C 1690089529 DHUJHZPUNUCXLF-OAQYLSRUSA-N 437.588 4.897 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(Cl)s1 1690168159 YQQKDMYUSPNIAG-UHFFFAOYSA-N 433.002 4.671 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1690233903 VMSXJTAUKPNLNN-HUUCEWRRSA-N 449.418 4.722 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1690434908 LEYBSVPULKYDMI-RTWAWAEBSA-N 430.543 4.897 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC=C(C)C1 1690461351 YAWXHEGALZAGHA-UHFFFAOYSA-N 432.572 4.749 30 10 IJEE C=CCCCn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1690496540 SUYLFSPMXZNCSP-LJQANCHMSA-N 447.549 4.787 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS[C@@H](C)C1 1690499872 CTKQEXRKTMTPCK-SJORKVTESA-N 432.659 4.666 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCn1cc(Cl)cn1)C1CC1 1690553732 FHJRDZUWOZOTRF-UHFFFAOYSA-N 449.411 4.929 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@@H](C)c1ncc(C)s1 1690570056 ULJXZKKXBMSZAB-MRXNPFEDSA-N 449.559 4.635 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1690733978 SCHFNWKOSNZHRL-VGOFRKELSA-N 429.565 4.606 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)N1CCCC1 1690995287 GWOJNESFEVEZFP-PXNSSMCTSA-N 438.963 4.624 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCC1CCOCC1 1705478284 YZMBTIFOJVHHJP-QZTJIDSGSA-N 430.980 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1705484996 ATMHBKJRAAOXOE-OVWQWFNUSA-N 443.389 4.610 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CC=CCC1 1705510974 DKZJLJOGJSLUMU-KRWDZBQOSA-N 430.394 4.642 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)N1CCCCC1 1705546239 FYBGJAUOEVIDAT-UHFFFAOYSA-N 448.640 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(c2ccncc2)CC1 1705605550 NSYSVTZUNPHLDZ-RUZDIDTESA-N 442.611 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1csc(CCc2ccccc2)n1 1705667274 PYOSRQPRNMYURU-RUZDIDTESA-N 433.625 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCCCN1CCCC1 1705677376 MGLWDRKPAOGPGU-HHHXNRCGSA-N 449.643 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(F)(F)CC1 1705705509 IIRUQOYXUVXABF-UNMCSNQZSA-N 430.543 4.670 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN(CC(C)C)C1 1705712470 UTJPGDFKQNRSHJ-IBGZPJMESA-N 431.028 4.764 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1705721839 BUAZTZKFHITSJL-IBGZPJMESA-N 443.345 4.763 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705801279 ZRVVUMTUERSIDR-FQRUVTKNSA-N 438.616 4.983 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=C(C)CC1 1705832056 LTFLXEGZEQFTOM-UHFFFAOYSA-N 437.371 4.913 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC1(O)CCCCC1)C1CC1 1705851568 KYIBEYXCSCIEOJ-UHFFFAOYSA-N 431.378 4.558 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705871635 RAZUKCBAGITVLH-ATIYNZHBSA-N 436.600 4.759 30 10 IJEE CS[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)(C)C 1712741003 ALUOFGAKCUIQPO-FQEVSTJZSA-N 444.624 4.517 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CC=CCC1 1722406207 VLNKFLHGWLKGBF-UHFFFAOYSA-N 425.989 4.535 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H](OC)c1ccc(Cl)cc1 1722473780 CXCCSESWUYHSRJ-NFBKMPQASA-N 441.000 4.964 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CC(C)(C)C1 1722499834 MFETZPQVDRGPRD-UHFFFAOYSA-N 429.996 4.700 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 1722538839 YAENGHUMEWPTEH-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC=C(COC)CC1 1722546421 KUKPQQZYVHZOOS-UHFFFAOYSA-N 441.988 4.912 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCCOC)C1 1722546962 FKZCQJCHAMFFRL-OAHLLOKOSA-N 445.778 4.636 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C(F)F)C1 1722547144 JLGLZPCGPLNSDG-INIZCTEOSA-N 440.922 4.975 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2sccc2Br)CC1 1722561361 RWFBXEVIEMPPNP-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCCN(C)c2ccccc2F)CC1 1722569064 LOBNTQRDEYEOFG-UHFFFAOYSA-N 425.577 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722585837 KWPLLFRRXVPPMK-HOYKHHGWSA-N 445.007 4.975 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1722600536 PBTOQWFAIANEMO-UHFFFAOYSA-N 446.599 4.511 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722612681 KOGXKSWDRMTIFS-UHFFFAOYSA-N 444.645 4.612 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C)C(=O)OC(C)(C)C 1722633335 FNXSLHNNVHFIAN-INIZCTEOSA-N 449.983 4.561 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@@H]1CCCCC1(F)F 1722655481 DTIJSTKAMGCQFW-FQEVSTJZSA-N 429.515 4.704 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@@H](C)C1 1722661483 HIDGHAAEHBKXOT-MSYCTHLASA-N 430.618 4.621 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H]1C)C(C)C 1722664754 HBMFXQOPAPLADP-AWRGLXIESA-N 432.616 4.750 30 10 IJEE CC(C)(C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1722896719 DUZTZWZGHJUYQW-QHCPKHFHSA-N 434.632 4.618 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1723784471 CDDNHTZHFVGLJH-VIYGXFRKSA-N 445.652 4.776 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCCC2)c(C)o1 1724156567 BCVRRVOHXIBOAP-SANMLTNESA-N 447.583 4.951 30 10 IJEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)c1cccs1 1740719434 FPUSIISNTUTMKA-GOSISDBHSA-N 435.622 4.906 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(=O)CCC)cc1 1740727008 WEMOGQHRHJGHST-RUZDIDTESA-N 431.540 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCC(C)CC2)CC1 1740836189 HZSNUZQNHXDZMD-UHFFFAOYSA-N 431.987 4.872 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCCCCC2)CC1 1740841731 YLPJZIXAFIPTRM-UHFFFAOYSA-N 438.616 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(C)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1740844973 ZOTMGAALCRKNCN-KRWDZBQOSA-N 441.567 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)CC2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740852810 SMVGZBYZBNDVHO-KDURUIRLSA-N 431.625 4.887 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1Cl 1740882774 XSLRJELACFKBBA-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H](c1cccs1)N1CCCC1 1740903826 MPVUHJKJWDUJBI-OAQYLSRUSA-N 437.613 4.686 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@H](SC)C(C)(C)C 1740914732 JZLWCJIOWPSFBI-NRFANRHFSA-N 449.628 4.521 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CSCCS1 1740918607 MVXWCUIJSFRGEN-IBGZPJMESA-N 426.611 4.888 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 1748894990 MVGBLABNMKZCKL-UHFFFAOYSA-N 443.403 4.943 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](F)COC 1749054682 XCMKPZBGOPDURL-GEQKSPFYSA-N 448.970 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)[C@H](C)CC 1749171181 RBNJNAAZBOLYBK-YDIMBITNSA-N 449.640 4.550 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)CCC 1749284179 HEROLFGNUBLRQF-RDJZCZTQSA-N 426.005 4.975 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCC(C)CC2)CC1 1749311313 MGHAXRGSDVCFJG-UHFFFAOYSA-N 441.595 4.665 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)nc1 1749538715 ZFCZIEVWWSKXEG-UHFFFAOYSA-N 430.581 4.578 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1749539366 ZSBWONJNHMYPDL-LADGPHEKSA-N 433.600 4.927 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C1CC1 1749586312 PQQPIGVEIGKSPI-BGYRXZFFSA-N 437.588 4.619 30 10 IJEE Cc1cc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@](C)(O)C(C)C)c2ccccc2n1 1751408097 ANVJWFIJXFBPDW-AREMUKBSSA-N 448.615 4.975 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCc1sccc1C 1760098137 OWRVCDKUCPYCBK-MOPGFXCFSA-N 438.597 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CC[C@@](C)(CC)O1 1760214829 CZTASQCKDRIDAM-FDDCHVKYSA-N 428.939 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCN(C(C)C)C(C)C 1760216020 XDEGWZLAJUPNIV-UHFFFAOYSA-N 426.008 4.570 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)S[C@H](C)C1 1760274160 GUIDHSBJLKWUFX-WSTZPKSXSA-N 444.670 4.732 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1760278563 YNLOXTRTJJCSSS-WOJBJXKFSA-N 445.032 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CC(C)C 1760334386 JRCWSOBBWHNMDU-OFNKIYASSA-N 434.588 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCN(CCC(C)C)CC2)CC1 1760401097 ZVQQBUJWRLQJFS-UHFFFAOYSA-N 436.648 4.809 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccccc1F 1760411556 OMIPANIORFVMMP-INIZCTEOSA-N 439.535 4.945 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccccc1CC 1760411590 OWYSXCPTOLFEDG-OAQYLSRUSA-N 439.604 4.759 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760439695 QIFKJFMAFGLFFM-GOSISDBHSA-N 426.952 4.564 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC(=C)Br 1760483015 ABXGROJVNFWKMT-UHFFFAOYSA-N 428.309 4.580 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc2c(n1)CCCC2 1761531986 HHDUOUOUWQIWOL-ZWKOTPCHSA-N 448.546 4.618 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccoc1 1761645030 GITGYKUHVRXZCW-AOMKIAJQSA-N 443.910 4.772 30 10 IJEE C[C@H]1COCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1763207358 DCETYGCHQMSTSH-RDJZCZTQSA-N 431.943 4.540 30 10 IJEE CCCC(O)(CCC)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1763890211 DRPCDHNNAPJRPB-UGKGYDQZSA-N 439.604 4.572 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(C)C)CC2)c1 1769937352 BCBMFXCHQHDBHR-HNNXBMFYSA-N 446.393 4.748 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(=O)OC)cc1 1862449151 DJKMBLFEWVTOEA-HXUWFJFHSA-N 441.911 4.895 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2F)cc1 1862532128 AYRJADTZWREDJN-QFIPXVFZSA-N 434.442 4.701 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(OC)c1 1862718249 WUMDSCSVDNANRR-IQMFZBJNSA-N 431.488 4.931 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1863216644 WSRMKNFAOBGVQU-HTAPYJJXSA-N 429.520 4.728 30 10 IJEE C=CCN1C(=O)C(Nc2cc(NC(C)=O)ccc2CC)=C(c2cccc3ccccc23)C1=O 1863225684 JTSYPQYRCHSLAX-UHFFFAOYSA-N 439.515 4.739 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2c[nH]c3ccccc23)C1=O 1863501374 DRXSDWCUKQQGGU-KRWDZBQOSA-N 432.483 4.993 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccccc2Cl)C1=O 1863778591 RROGKLASKXBRGS-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3F)CC2)nc(-c2ccccc2)n1 1867971377 BQQBONSTJSALIT-UHFFFAOYSA-N 429.543 4.788 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)n(-c2ccccc2)n1 1870000402 OIVILVRAUJKPHD-WOJBJXKFSA-N 433.943 4.841 30 10 IJEE Cc1ccccc1C(=O)Nc1c(C#N)nnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1870156554 SRYDTSKRVCMNCY-UHFFFAOYSA-N 439.319 4.737 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCN(CC)CC)CO4)C2=O)cc1 1871349710 RFLLCWGYTUIMAS-JLPGSUDCSA-N 436.552 4.585 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccncc1)C2=O 1871373157 JGDLTOZVCAJGHL-GRSHGNNSSA-N 436.807 4.787 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)c1 1871391168 OFYJAAZUJIAVGW-XKZIYDEJSA-N 443.455 4.931 30 10 IJEE Cc1cccc(CN2CCN(Cc3c(O)ccc4c3O/C(=C\c3ccc(C)o3)C4=O)CC2)c1 1871397786 OXLATFUWMRGULP-MYYYXRDXSA-N 444.531 4.536 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 1871420828 LRGHHOUIJYXSIJ-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871429572 SHTIFNDTNUTWTE-STZFKDTASA-N 439.464 4.878 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871444167 SDUZFBGWIHLULS-OYKKKHCWSA-N 443.499 4.623 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871457290 YPJZGNCTZNFOND-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)OCCOc3ccccc3)ccc2C1=O 1871461521 PMWYUFHMIWDUCX-IWIPYMOSSA-N 430.456 4.612 30 10 IJEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520839 NYXNBIVIDKGICV-UHFFFAOYSA-N 441.580 4.520 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1871885280 VBBYNUAMPODNDJ-FQEVSTJZSA-N 446.981 4.958 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872146819 XPTAPOFIIADYEE-QHCPKHFHSA-N 441.597 4.908 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872427373 JABKDWRDLRCEQL-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cccs1 1872469557 QYWZSRQXMTXGBJ-HXUWFJFHSA-N 434.627 4.931 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc2n1CCCC 1873581036 UQIZUDRLBAYSTG-PMACEKPBSA-N 443.636 4.935 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OC)c(OC)c1 1874362914 DJFILPZATVWJSZ-MFKUBSTISA-N 436.581 4.939 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cc(C)ccc1O 1874440068 HPDUIROYLWQAFK-BUVRLJJBSA-N 445.633 4.504 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2F)c1 1874488743 HNLJEKLWFSQPLD-DHRITJCHSA-N 439.560 4.846 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccccc2F)o1 1874495532 PVUNYPNFQAINSR-FSJBWODESA-N 428.489 4.629 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874509096 KXKJSQUJTBHXEQ-ZMOGYAJESA-N 432.553 4.506 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccncc1 1874540347 KUAFELHXYUUPSE-YDZHTSKRSA-N 436.368 4.986 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)OCO2 1874582854 JWVJMESHJULPMQ-VMPITWQZSA-N 443.927 4.992 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccco1 1875082960 WGYRNZPDUPDJTB-BQYQJAHWSA-N 427.796 4.965 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc2c(c1)OCO2 1875122564 PAXKMALISCXKIF-FARCUNLSSA-N 438.382 4.817 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)[C@H]1CCCO1 1875154259 VZLDZOQYRYXNCT-CHHLAKQQSA-N 432.472 4.838 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(OC)c2)c1 1875172807 MIXKHDBNDPKOAD-RMKNXTFCSA-N 438.398 4.856 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)CCO)n2CC(C)C 1875209159 DEFCWQFJCRHXKG-UHFFFAOYSA-N 431.625 4.704 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)Nc2cc(C(F)(F)F)ccc2F)c1 1891324964 ZFCCRBOPLHJNHO-UHFFFAOYSA-N 437.437 4.895 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)[C@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1892137928 LQNBEVCIHZRDLN-SFTDATJTSA-N 427.957 4.552 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1922085489 IXJSRCBOEFTKKK-JCYRPKCISA-N 446.632 4.668 30 10 IJEE C=CCN(CC(=O)Cc1c(Br)cccc1Br)C(=O)OC(C)(C)C 1937823586 QHHNFXFNGWAVJW-UHFFFAOYSA-N 447.167 4.746 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)C1(OC)CCCC1 2004927467 NCXOIOOPJXKUNC-YADHBBJMSA-N 432.605 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C(F)(F)CC1 2020298186 RZBOTBJYYDJCRB-NRFANRHFSA-N 443.535 4.952 30 10 IJEE N#Cc1c(Br)cccc1NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2026166780 MIYMDIQDKITXFO-RNFHDMOYSA-N 426.314 4.580 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NC 2047972707 FZGOZXZSGFAJFH-SJORKVTESA-N 429.786 4.540 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2078982437 APDKUVPZYXGCLQ-YEWRBRKMSA-N 425.314 4.973 30 10 IJEE CCc1nn([C@@H](c2ccc(OC)c(F)c2)C(C)(C)C)c(I)c1C#N 2080088595 RAZOWVVFHGZHNA-INIZCTEOSA-N 441.288 4.705 30 10 IJEE CC(=O)Oc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080106036 SDRBRXZSCOARBC-HNNXBMFYSA-N 444.276 4.952 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)cc1Cl 2189205582 KTPTYUMKKAHTSX-UHFFFAOYSA-N 440.574 4.815 30 10 IJEE CC(C)C[C@@H](N)C#Cc1sc(Br)c(Br)c1Br 2212190219 UQKLXCPGHVECDN-ZETCQYMHSA-N 430.003 4.761 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2224276710 KIZRPXJXTDYIFB-RHSMWYFYSA-N 429.403 4.737 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@@H](C)CN1C(=O)OC(C)(C)C 2235716229 FFJLVPZMPLWREG-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CC1CC(NC(=O)OC(C)(C)C)C1 2235730716 OXQGUPDZJCUXIE-CUYAVPTFSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Oc2cc(Br)cnc2C#N)c([N+](=O)[O-])c1 2236139787 KQRZOHWAVVNWEZ-UHFFFAOYSA-N 435.234 4.763 30 10 IJEE N#CCCN(CC1CCC1)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243911248 PVIPBKMKTRUMDH-UHFFFAOYSA-N 445.563 4.848 30 10 IJEE C=CC[C@]1(COc2nc(Cl)ncc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272090620 GDMUUMCSZXSJJC-SFHVURJKSA-N 446.773 4.865 30 10 IJEE N#C[C@H](C(=O)c1ccccc1I)c1ccc(Br)c(F)c1 2287144391 WIYYUXCIDAUYQY-NSHDSACASA-N 444.041 4.683 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2296273537 PGFRFOGIIUZCCX-UGKGYDQZSA-N 435.406 4.672 30 10 IJEE C#CCOc1ccc(Br)cc1C=C1SC(=Nc2ccc(C)c(C)c2)NC1=O 2297334876 SPNDKSVUMWIOAY-UHFFFAOYSA-N 441.350 4.970 30 10 IJEE Fc1ccccc1COc1ccc(C=Nn2c(S)nnc2Cc2ccccc2F)cc1 2321981725 XVQZBYZHYORHNJ-UHFFFAOYSA-N 436.487 4.897 30 10 IJEE C[C@H](NC(=O)COc1ccccc1C=CC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 2322307841 YWBYSUIDHSOEHV-SFHVURJKSA-N 430.460 4.747 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4cccc(C)c4)CC3)C2=O)cc1 2324187032 DCXDTNPGDRWWOM-UHFFFAOYSA-N 440.543 4.947 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(OC)cc2)C3=O)o1 2325396806 MHZIPJPTGBCPLQ-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2325730990 CMRMHPNLAROYRY-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccccc1CCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745628 OXYZUNUCXDGISH-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE CCCOc1cccc(C=Nn2c(CCCOc3ccc(OC)cc3)nnc2SC)c1 2326228863 GVGCUDIPNIAGOG-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(OC)c(OC)c(OC)c1 2326442615 MONWDOPCXBNOML-UHFFFAOYSA-N 440.569 4.658 30 10 IJEE CCCOc1cccc(C=Nn2c(COc3ccccc3OCC)nnc2SC)c1 2326796553 FIMWHBZNICZQHH-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330639921 WOWROFSMDFCWLC-UHFFFAOYSA-N 442.424 4.893 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2)cc1 2331051699 DBRSJPPDUVKFHJ-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2F)cc1 2331378683 QDUCFSVDPPYQGY-UHFFFAOYSA-N 443.523 4.775 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)c1 2331382656 SFEHAAQWHOGZEF-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2F)o1 2331451190 YUDXNEJBPPCAHN-UHFFFAOYSA-N 448.495 4.699 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1c[nH]c2ccccc12 2331687413 GHZSTDAWAPDLQS-UHFFFAOYSA-N 432.553 4.804 30 10 IJEE COCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1Br 2331846060 HKWDENTXWRMBKU-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE CCc1csc(C#C[C@@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)n1 2338638843 WPHLGQMXCCKRHJ-MRXNPFEDSA-N 437.359 4.900 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(N)C#Cc1ccc(Br)cc1 2380876489 WPWJTAAUJLBQMC-YVCBRDFCSA-N 433.390 4.602 30 10 IJEE CC(=C/c1ccccc1)/C=N/N=C1\NC(=O)[C@@H](CC(=O)c2ccc3c(c2)CCCC3)S1 15055421 FIRIWSVVOGKCKR-IPDDSMDUSA-N 431.561 4.815 30 10 IJEE CCCN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc2c(c1)CCCC2 22804442 ILMWDAXBNMUFGJ-UHFFFAOYSA-O 432.407 4.554 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)S/C(=C/c2ccc(O)c(OCC)c2)C1=O 36258166 RFYRNQPZXGFUMM-CPNJWEJPSA-N 425.506 4.643 30 10 IJEE CCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(OC)cc3)c2O)CC1 38626914 NQSYSAZXSPZFDC-UHFFFAOYSA-N 436.552 4.970 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)c1OC 41660031 YHIRLEOMAXLRLK-FMCGGJTJSA-N 447.462 4.811 30 10 IJEE O=C1/C(=C\Nc2cccc(F)c2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 105337148 SPQVMGCIWYRLNO-WOJGMQOQSA-N 432.473 4.513 30 10 IJEE CCOCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(C)cc1 136433037 RCWPSTBWUZGDRM-AYWGPLOBSA-N 437.536 4.550 30 10 IJEE Oc1ccc2cc(Br)ccc2c1/C=N\n1c(S)nnc1Cc1cccs1 169913974 XYSYEYXBOWCGSA-JMIUGGIZSA-N 445.367 4.723 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccn1 170169049 SCFSXKVCJKUTMA-NRFANRHFSA-N 432.451 4.629 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1 170173601 DTXSPWABTMQIHI-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccn1 170174809 JAIIPEYQTQRUDO-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1cccc(O)c1 170263268 RMEWPNAOFGEYBC-LJQANCHMSA-N 441.867 4.789 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C 170277708 XOLFJTFOGHQOHG-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(O)c1 170322023 NRHQEOZPOUVIGO-QHCPKHFHSA-N 431.488 4.932 30 10 IJEE Cc1cc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)ccc1Cl 170536918 NVJAOUJNBWNBLH-UHFFFAOYSA-N 431.883 4.580 30 10 IJEE Cc1ccccc1-n1c(C)cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1C 248117168 SXGYZYPYVIZWCF-UHFFFAOYSA-N 426.564 4.622 30 10 IJEE CC(=NNc1ccc(C(=O)Nc2ccccc2C)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 254865348 ISTDMIPVVQRNCU-UHFFFAOYSA-N 433.424 4.900 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 443805390 MSZYVZJVUZHCRV-UHFFFAOYSA-N 438.487 4.819 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 476161231 QUJYQQIXWVRGHK-OAQYLSRUSA-N 440.609 4.886 30 10 IJEE CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 487883755 RAVBFJDSJCKICY-JOCHJYFZSA-N 447.441 4.506 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 494791700 CLEPATCMMXTYER-UHFFFAOYSA-N 442.585 4.528 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cnn(CC(C)C)c2C(C)C)nnc1-c1ccco1 501626771 JQPGUXNQKWPWMQ-UHFFFAOYSA-N 442.589 4.821 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 505060188 DDQRRDYICDJBHP-QGZVFWFLSA-N 437.569 4.827 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Br)ccc1O 526800184 UUYGPWQDOZSEBT-MTJSOVHGSA-N 431.359 4.873 30 10 IJEE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cc1cccc(C#N)c1 531149435 WOZBUMFPCVAVAQ-UHFFFAOYSA-N 443.503 4.789 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 555258889 MWKALUZZYLGKKN-UHFFFAOYSA-N 442.567 4.714 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccc(OC)cc3)C2)c1 586002032 MJEOQCZJCYPEKY-JOCHJYFZSA-N 435.568 4.567 30 10 IJEE CCCNC(=O)C1=CC(=Nc2ccc(N(CC)CC)cc2OCC)c2ccccc2C1=O 606508254 MHSZVBOHIAAPSZ-UHFFFAOYSA-N 433.552 4.701 30 10 IJEE Clc1ccc(I)c(N=C2NC3(CCSCC3)CCS2)c1 719675004 KSOMMYCQRQSOAO-UHFFFAOYSA-N 438.787 4.924 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)[C@H]2CCCN(C(=O)[C@@H](C)CC)C2)c1 726320717 XOABGUAOLRAIID-FPOVZHCZSA-N 449.547 4.673 30 10 IJEE C#CCN(C(=O)N[C@H](C)Cc1ccccc1F)[C@@H]1CCOc2ccc(Br)cc21 733342349 FLXDMLKWFYTOPH-FOIQADDNSA-N 445.332 4.688 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 735969495 LHXUOGVPGHYCRO-LJQANCHMSA-N 438.940 4.580 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)c1 762441006 QRPVHDOKQZVDMQ-UHFFFAOYSA-O 432.912 4.509 30 10 IJEE N#Cc1ccc(COC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(F)c1 767508019 XNMGAHFXMFBBAD-UHFFFAOYSA-N 440.500 4.890 30 10 IJEE C=CC[C@@]1(C(=O)OCc2nnc(-c3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 791716287 LDLHBEGQMOUARL-QFIPXVFZSA-N 429.542 4.594 30 10 IJEE CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccccc1Cl 1083953800 ZCPGCBLGYCXJIU-UHFFFAOYSA-N 438.937 4.505 30 10 IJEE Nn1c(NN=Cc2cccc(Cl)c2Cl)nnc1SCc1ccccc1Cl 1084553969 SXRXVUGPQZCUDQ-UHFFFAOYSA-N 427.748 4.690 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(CN(CC)C(C)C)cc1 1124608308 XGJNUJGTGIOGNK-UHFFFAOYSA-N 425.525 4.660 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3Oc3ccccc3)CC2=O)cc1Cl 1125482783 CATDIJUOZPHFQR-LJQANCHMSA-N 445.906 4.673 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)c(F)c1 1126564173 GGWKAUNRZBUQOU-ACJLOTCBSA-N 439.796 4.528 30 10 IJEE Cc1ccccc1-c1cnc(NC(=O)COc2cccc(Br)c2C#N)s1 1126705297 ICIPEIRCCLOVDC-UHFFFAOYSA-N 428.311 4.770 30 10 IJEE C=CCN(C(=O)c1cc(C)sc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1128005712 XYVQRFWEIJXZCC-QGZVFWFLSA-N 436.371 4.622 30 10 IJEE Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)cc2)cc1 1129976846 AXEQIFZAMAHPMX-VWLOTQADSA-N 444.556 4.648 30 10 IJEE C=CC1(CC(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)CN(C(=O)OC(C)(C)C)C1 1136311747 BIMZEUSIYSIMHC-UHFFFAOYSA-N 445.560 4.933 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@H](c2nccn2C)C(F)(F)F)cc1 1143100887 ADHKGHDWAQFEMZ-QGZVFWFLSA-N 444.413 4.767 30 10 IJEE CCCCN(CC)c1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 1156560615 HHBRYVKGCDPUQD-DEOSSOPVSA-N 439.003 4.989 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1157543920 ZKQXHIBEJWFEKS-NRFANRHFSA-N 438.572 4.908 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnn(-c3ccccc3F)c2)cc1OC 1178199740 UZUDCMPKNUWZSU-UHFFFAOYSA-N 432.293 4.959 30 10 IJEE COc1ccccc1-c1[nH]nc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1C 1180886944 AYAYOKGMPDFXRG-UHFFFAOYSA-N 428.448 4.690 30 10 IJEE CC(=O)[C@@](C#N)(CCSc1cc(C(=O)NC2CC2)c2ccccc2n1)c1ccccc1 1188479542 FBHHOMFYNVUYMD-VWLOTQADSA-N 429.545 4.660 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2csc(-c3ccc(Br)cc3)n2)cc1 1207920567 HKIGSMVEEAQKPF-UHFFFAOYSA-N 442.338 4.906 30 10 IJEE C[C@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 1208533982 DOKMITMSCXMNQM-SNVBAGLBSA-N 445.356 4.609 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1ccccc1 1214123047 YEFPDQJWUSCCOA-HSZRJFAPSA-N 441.535 4.763 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 1219084431 LNODFHUEVQSLKI-IRXDYDNUSA-N 445.361 4.690 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1)[C@@H]1CCCc2ccccc21 1223897693 BLLQNHIYUPREHF-VGOFRKELSA-N 432.499 4.968 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)cc1 1264516534 FMOILGRMYVTZHB-UHFFFAOYSA-N 439.559 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC(C)CC1 1286279300 UNIOJXKEUZGYQV-QNWVGRARSA-N 437.632 4.613 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](OCC=C)C1 1286315605 AQJSZTHTVFAAEM-LJQANCHMSA-N 443.389 4.601 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C1CCC2(CC1)OCCO2 1286343259 JELDRRUINNMGTP-UHFFFAOYSA-N 449.382 4.787 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCCC1 1286452651 JKHZAMZUTIMYHC-UHFFFAOYSA-N 432.037 4.559 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1286638328 YTDBYWIQRBLQOA-SFTDATJTSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2cc(C)ccc2OC(F)F)CC1 1286661903 NWWOKJQUGIGVQL-UHFFFAOYSA-N 427.499 4.644 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1286671141 PMOLAOGMCHUCNP-HXUWFJFHSA-N 425.577 4.505 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1286674658 TWKFOZHBDSWZFU-SANMLTNESA-N 438.616 4.681 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 1286677741 IVXMDFUJTDCPAB-GGAORHGYSA-N 447.583 4.559 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1c(F)cccc1Cl 1286703802 SDRRAPHIJXQWBW-UHFFFAOYSA-N 447.967 4.665 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1286717633 DRYIBBYRSTZAFY-UONOGXRCSA-N 442.361 4.591 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(F)(F)F 1286761183 VSMWOYKEMVKSSP-IYBDPMFKSA-N 443.514 4.570 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC[C@H](F)C2)C1 1286805260 PLIYJGBAJRDSJU-IXDOHACOSA-N 449.368 4.627 30 10 IJEE C=CC1(CC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CN(C(=O)OC(C)(C)C)C1 1297104275 GVMCKDNEWSKFGZ-UHFFFAOYSA-N 436.556 4.638 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300365942 BTGYXURFVLSNEU-GOSISDBHSA-N 430.543 4.735 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1300513510 YMJCZFITHADDQH-SONWIMMPSA-N 445.655 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)OCCc2sccc21 1300919154 XAZHARSCBYCMQA-JOCHJYFZSA-N 443.642 4.586 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@](C)(C#N)C1 1300960959 VRGHJFYULVBMID-QHCPKHFHSA-N 427.980 4.958 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1301216624 NPEJSYHVVWMYBG-HXUWFJFHSA-N 448.615 4.904 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1301238978 IXUBGNWKKCMSBM-RTBURBONSA-N 437.613 4.725 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(C(C)(C)C)CC1 1301241007 KWBRLJXLEXGPMG-UHFFFAOYSA-N 425.533 4.629 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1301349443 LXBQIISJXVMPDL-GMAHTHKFSA-N 426.605 4.849 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H](C)CC)n1Cc1ccc2c(c1)OCCCO2 1301405474 HEIRXWOAAFCTBH-LJQANCHMSA-N 436.556 4.829 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN(C)C(C)C)C1 1301558428 VPDGWVHLSDRNCI-QHCPKHFHSA-N 439.648 4.537 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCC(C)CC2)CC1 1302623481 DAGRSSKKQWVCSE-UHFFFAOYSA-N 425.602 4.639 30 10 IJEE C=CCOc1ccc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)cc1OC 1308422307 PXDFLOFYFNUVOG-UHFFFAOYSA-N 433.430 4.705 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(C(=O)Nc3ccccc3OC)CC2)cc1OC 1308629498 FHOJRRXXANZFBG-UHFFFAOYSA-N 444.959 4.773 30 10 IJEE COC(=O)C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(C(F)(F)F)cc1 1310042670 HOSSTTKRVYXOID-INIZCTEOSA-N 425.794 4.656 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(Cc3ccc(Cl)cc3)Cc3cnn(C)c3)cc2n1 1311237517 JALBALVWXCEXIO-UHFFFAOYSA-N 434.931 4.844 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F 1352319343 QVIFFWQFGSBWPZ-HUUCEWRRSA-N 438.259 4.850 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(Br)cc2C(=O)OCCC)cc1 1357425594 GBJICBMEOYCGPF-UHFFFAOYSA-N 432.314 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCN1C1CCCCC1 1358898141 NCSQCPJNGBALSU-URXFXBBRSA-N 449.643 4.675 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1358931213 SGTWGBXELAYAKF-LJQANCHMSA-N 434.506 4.877 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1359015434 SSCVJNNBYMHATR-NFBKMPQASA-N 437.588 4.510 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(Cl)nc1 1359074038 OENITZGJWVRADK-XMMPIXPASA-N 435.959 4.563 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1359092990 IUMBJETWMRRSLZ-XZYOPWHXSA-N 438.616 4.837 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1359202973 GIGVIAJLRCVHCD-LEWJYISDSA-N 440.588 4.887 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccccc1 1359229719 SAGIWGSGDROYOI-KSEOMHKRSA-N 426.605 4.987 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCSC1 1359256413 FDBJDWPCFPZFFF-FGZHOGPDSA-N 437.613 4.727 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1359344574 CFRDJLHXUCSETE-UWJYYQICSA-N 439.654 4.935 30 10 IJEE C#CCN(C(=O)c1cnc2ccccc2c1C)[C@@H]1CCOc2ccc(Br)cc21 1360556727 AWUXLVUNQFSWQP-OAQYLSRUSA-N 435.321 4.905 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@@H](C)CC[C@H]2C)c1 1435510241 PEVSFBKDPVOJIO-CALCHBBNSA-N 432.973 4.734 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C(=O)OC 1438402803 RBHKLQSLSBBIQR-QGZVFWFLSA-N 436.277 4.618 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 1458328708 CLEODIXNBBYOAP-UHFFFAOYSA-N 426.296 4.844 30 10 IJEE C#C[C@H](NC(=O)c1cnc(Cc2ccccc2F)s1)c1ccc(Br)cc1 1460789982 SWYGAOJNHWQZSZ-KRWDZBQOSA-N 429.314 4.740 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)c1ccccc1 1463373042 JNCDBKJEOFMKIH-GOSISDBHSA-N 425.909 4.642 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 1465626637 BMVXSAASUPBAAH-MRXNPFEDSA-N 430.574 4.556 30 10 IJEE COc1cccc([C@@H](CNC(=O)NCC(C)(C)CC#N)c2c[nH]c3ccccc23)c1OC 1467573494 AWBKWKRPEAYNIW-HXUWFJFHSA-N 434.540 4.556 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccccc2Cl)CCOCC1)c1ccc(Cl)cc1F 1468610366 LFHYVGXTZYHRCM-HXUWFJFHSA-N 435.326 4.854 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 1472275245 IUFSYVSKHCZZOQ-SANMLTNESA-N 430.327 4.693 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 1472729024 HBPIOXHLUPWUGR-ROUUACIJSA-N 437.588 4.614 30 10 IJEE C=CCc1cc(CN[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc(OC)c1O 1473953935 LWDHAXWNRIYVFF-OAQYLSRUSA-N 444.531 4.817 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(OCC)c(C)c1 1474918922 SFPMNXYBELQHRH-UHFFFAOYSA-N 442.350 4.672 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 1475860350 MNPARNYPZNFNKR-QHCPKHFHSA-N 439.581 4.526 30 10 IJEE C=CCC[C@@H](NC(=O)NC1CCN(CCOC(C)C)CC1)c1ccc(C(F)(F)F)cc1 1478134118 ULSFGHWUHWZGIM-OAQYLSRUSA-N 441.538 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC[C@H](OC)C(CC)CC 1507769887 HLBIPSOVVDUBHR-WIOPSUGQSA-N 444.570 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CC=C(C(F)(F)F)CC1 1507808440 QTLZBLDKTVFTFM-APWZRJJASA-N 438.519 4.610 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1coc(-c2ccc(C)cc2)n1 1507825958 DCEAUELDNLPVTC-UHFFFAOYSA-N 428.540 4.678 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1507827649 ZQURGAGHRVRWBA-MAUKXSAKSA-N 431.968 4.524 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1507829414 WWIHWHJFFNIYBJ-LEWJYISDSA-N 428.577 4.568 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1507892257 NQEOBHYDWSPOKI-NRFANRHFSA-N 442.629 4.621 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1507925515 HLVYIVFIOUGSAM-UFYCRDLUSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1507934624 HZMVTOGYSAXVSZ-PMACEKPBSA-N 429.634 4.986 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CC1 1507990512 KMNSJZGEPNFGRR-WOJBJXKFSA-N 437.632 4.550 30 10 IJEE CCC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC#N)CC1)OC 1514332747 HLDFTOUKYRPTBB-GOSISDBHSA-N 431.968 4.552 30 10 IJEE CCCc1c(C(=O)Nc2ccc(Br)c(C#N)c2)cnn1-c1ccc(F)cc1 1524011785 AHJVPYZSSSDZMH-UHFFFAOYSA-N 427.277 4.850 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1Br 1527732084 DLRKSVFHTLGMOG-UHFFFAOYSA-N 438.281 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 1530672244 ADQIWIFLESVPET-QRWLVFNGSA-N 445.441 4.928 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1OC 1534849934 JGDVUZMAFUAKTH-VZUCSPMQSA-N 427.460 4.971 30 10 IJEE C=CCN(C(=O)c1cccc(-c2ccccn2)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1538618213 GCPXAWBJNAYNGG-VWLOTQADSA-N 428.532 4.860 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC)c1ccccc1 1538971557 BYMPGHRBRVFOJJ-CVEARBPZSA-N 426.362 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1539001726 IMXYYDOWLMLYSC-ACRUOGEOSA-N 446.643 4.651 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1539097419 MHTUWDXLBFZGNC-UYAOXDASSA-N 438.572 4.543 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(C)C)C1 1539498962 ZWQQQPFSUTWIFE-ROUUACIJSA-N 433.021 4.920 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1539505125 VDSATFYULTVUTE-PXNSSMCTSA-N 438.000 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1 1539643090 UACXROIRPUENRA-GSPCLOLRSA-N 438.616 4.814 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1539989345 UUZYIAPHBRQBPV-QFBILLFUSA-N 445.995 4.914 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]2C(C)(C)C)c1 1540248259 QARBMWUCLBSVJE-NRFANRHFSA-N 447.000 4.982 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)c1cccc(C)c1 1540864579 FGQYIMGSMIEALB-KRWDZBQOSA-N 435.597 4.510 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)CC2)n1 1542849330 FCEFQQBDBOJFMW-QGZVFWFLSA-N 436.585 4.534 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)c1 1543757629 XXIJAEQNKCQDSR-HNNXBMFYSA-N 429.398 4.570 30 10 IJEE C=CC[C@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1ccncc1 1543815930 CVIUBJLDGRXQBR-SFHVURJKSA-N 442.585 4.700 30 10 IJEE C#CC[C@]1(C(=O)Oc2cc(Br)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1544784567 YSEJEBLUVGYBFC-LJQANCHMSA-N 442.737 4.801 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(F)cc1 1564858974 YEZAEMFDQPOOPN-YADHBBJMSA-N 439.531 4.845 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2)C(C)C 1565607927 MZQHUCXRUDTZIC-QHCPKHFHSA-N 438.591 4.844 30 10 IJEE C=CCc1cc(CNC(=O)c2cccnc2Nc2ccccc2OC)cc(OC)c1OC 1583798484 STBSMVNUZVAZNT-UHFFFAOYSA-N 433.508 4.510 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 1584067816 FALNEQFBTRCVDX-UHFFFAOYSA-N 432.896 4.591 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)c1sccc1C 1586012352 NBVZNQUIFFVPPQ-VQTJNVASSA-N 426.582 4.763 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)c1ccccc1 1586031940 TVNSWJLJTFFTFZ-GDLZYMKVSA-N 449.569 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1cc(C)oc1C 1587592854 GARLYQYUAXTVHZ-DMZKTXOQSA-N 447.366 4.827 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@]2(CCSC2)C1 1587818176 RYDYCNBJUPONGF-FQEVSTJZSA-N 449.393 4.594 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)NCCCC)CC1 1587827066 DNSFSBMWXUBREV-UHFFFAOYSA-N 449.643 4.789 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)C1CCCCC1 1588266123 LUCGQJLUPJQYBU-LVXARBLLSA-N 438.616 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1589557302 HEJNQMNCONROLF-VTKNMLBTSA-N 438.616 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1594504242 LILUAODWRRGRNA-JOCHJYFZSA-N 437.632 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1scnc1C 1594521785 SBGGVYXACBCAPN-UHFFFAOYSA-N 436.585 4.732 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)C1CCCCC1)C1CC1 1595064961 DXQPKOQIMAAGNM-DEOSSOPVSA-N 445.007 4.997 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1595166571 VCDFEZRLWIKWRT-GMAHTHKFSA-N 436.648 4.911 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC1(N2CCSCC2)CCCCC1 1595229633 VQNRNMURLKOPSK-UHFFFAOYSA-N 443.705 4.941 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 1597191552 VCIWAYBMQQDGOC-FCHUYYIVSA-N 427.386 4.890 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCC=CO1 1606951527 GMNGVJKVYQOGOR-OAQYLSRUSA-N 445.571 4.794 30 10 IJEE C#CCN(CC(=O)Nc1ccc(C)c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1615536047 PFQAGELXLWDLFA-LJQANCHMSA-N 447.760 4.808 30 10 IJEE C=CCC[C@@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1 1616676886 GKALZIFTCHZBBR-PZJWPPBQSA-N 448.485 4.627 30 10 IJEE CC(C)c1ccccc1OCCC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1618705059 DTWNKZVJBLBJIN-JOCHJYFZSA-N 425.960 4.641 30 10 IJEE C=CCNC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1624205783 FSSWJBWFLARVSA-VWLOTQADSA-N 426.516 4.959 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1)c1ccccc1 1626480715 UMRJVIOIIXNOLQ-WTIAFYNJSA-N 442.600 4.657 30 10 IJEE C=C[C@](C)(O)CC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1626808377 WHLPCUZTQOGGFA-QHCPKHFHSA-N 433.379 4.554 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(OC)cc1)c1ccco1 1630060219 OIURGNKJIBRRAF-IEBWSBKVSA-N 434.920 4.530 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)c1 1630665757 FJFGTEWJQQPCSU-CQSZACIVSA-N 436.360 4.550 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C(=O)OCC 1635699848 YQJQUZGTCYPOLN-GOSISDBHSA-N 440.569 4.677 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OCC)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640560900 TYMKCAKLTYEHRO-GUYCJALGSA-N 434.627 4.839 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(OC)cc1)c1ccco1 1642907574 PXEILTXLUOATFI-TZIWHRDSSA-N 428.529 4.743 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC([C@@H]4CCOC4)CC3)c2C#N)C1 1645010329 BTDYPCSZKNDZOC-MOPGFXCFSA-N 443.657 4.848 30 10 IJEE C#CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 1654784970 PJMQZSKJGDGSLR-UHFFFAOYSA-N 442.343 4.736 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c1C 1654827796 DFUXDTUKYUESBW-VWLOTQADSA-N 432.612 4.535 30 10 IJEE N#Cc1ccc(Br)c(OCc2cc3c(cc2Br)OCCCO3)c1 1656797715 DWYWBLUDBRGODX-UHFFFAOYSA-N 439.103 4.824 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(CC)o2)cc1 1658321214 SEURAQQXNHJTLR-UTKZUKDTSA-N 445.585 4.654 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)Cc1cc(Br)cc(C)c1OC(F)F 1658475148 DIIOPHMTUQTTHX-UHFFFAOYSA-N 439.300 4.879 30 10 IJEE CCCCN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1666629789 FYEMHRFLTAMITI-UHFFFAOYSA-N 445.551 4.677 30 10 IJEE O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N1CCc2c(F)ccc(F)c2C1 1669041271 DNQXCCFCHMYBSV-MRXNPFEDSA-N 436.327 4.938 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1)c1ccc(Br)cc1 1671240921 UEFPUYXJXBHOSC-UNMCSNQZSA-N 434.337 4.916 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2c(F)cccc2F)CCC1)c1ccc(Br)cc1 1683362151 IGNOZQKJUDODDY-SFHVURJKSA-N 433.296 4.823 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1)c1ccc(Br)cc1 1683508615 WVIFKJRZRYCFPM-CABCVRRESA-N 439.762 4.621 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1F 1683688431 CPOGKFWTABIYMZ-RXVVDRJESA-N 449.954 4.586 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1689904234 OSDIMIJZPFFXQY-UHFFFAOYSA-N 442.991 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@@H](C)C1 1690036926 GRNFTXNMZAMHCU-CVEARBPZSA-N 431.403 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(COC(C)(C)C)c1 1690265617 QZCHOXWLXADSDJ-QFIPXVFZSA-N 426.605 4.938 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCc2sccc2C1 1690473728 FOJCWCNEEXDVPX-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690477858 JDPCBAIQNOSGEL-UHFFFAOYSA-N 436.629 4.561 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1690489726 AWPMTQWYDLHGEN-UHFFFAOYSA-N 432.616 4.972 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(OC)CCCCC1 1690613907 XTDSFARXCURFPE-UHFFFAOYSA-N 436.959 4.726 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)NC1CCCCC1 1705483043 MLLXUANLEUYBMF-IBGZPJMESA-N 435.616 4.540 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705484459 PDAJQGSWNMFAEJ-LVQVYYBASA-N 449.368 4.508 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1705514487 YNBMRJAUBIHNMS-GOTSBHOMSA-N 433.600 4.880 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1N1CCCC1 1705530558 PHUNJGIHPRGQPX-UHFFFAOYSA-N 434.975 4.644 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1705608271 KWFHKTPHSQMIIZ-UUOWRZLLSA-N 444.023 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1705707549 NEFJTGCNXLOHRY-KESTWPANSA-N 427.980 4.689 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1705795811 RIZYPNRGSKWDPK-OAQYLSRUSA-N 448.615 4.686 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1705820487 OEWVEERDLMTQOU-AVRDEDQJSA-N 438.597 4.872 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(SC)CCC1)C1CC1 1705856159 IAYCZWUCPUBKDZ-SFHVURJKSA-N 447.649 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CC[S@@](=O)C(C)(C)C 1705868140 CKRQGAMNFBGOFA-GDLZYMKVSA-N 448.683 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C)CCC1 1705874833 XPWWINYPYBJVLI-UHFFFAOYSA-N 429.609 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(SCC)c1 1722279740 QLOUAPPWTOVITN-AWEZNQCLSA-N 444.402 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccnc(SC)c1 1722343025 BVXLSDPLTQCTLS-UHFFFAOYSA-N 446.605 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(CC)CC 1722403939 JTUNMOYZUPBYBT-HXUWFJFHSA-N 425.964 4.734 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccncc2Cl)CC1 1722563160 UQICHHRPTNWLER-UHFFFAOYSA-N 439.947 4.606 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1722580089 OQMCDRIQFJHFLX-QHCPKHFHSA-N 435.641 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)nnc1C(C)(C)C 1722593099 HVXNAWODAMOKLV-BGYRXZFFSA-N 431.669 4.504 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1722620627 SRRRZUURXZVUGL-HNNXBMFYSA-N 445.539 4.711 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC1(N(C)C)CCCC1)C1CC1 1722648936 ZWIZATYOCAJFPB-UHFFFAOYSA-N 444.421 4.737 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCC[C@@H]1CSC 1722707903 CDMCKLAISGFAGV-OAQYLSRUSA-N 426.630 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOC(F)F 1740541442 ZHPQDSOAAKXYMQ-AWEZNQCLSA-N 434.487 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OCCC)nc1 1740727373 JCSCRBMOCGTMPR-XMMPIXPASA-N 435.959 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(OC)CCCCC1 1740734554 IKQDICUJYHYPEA-HSZRJFAPSA-N 442.991 4.852 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1C(C)C 1740754277 DGYQWIKCEDOHRK-QTEQDKRBSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCc1ccc(Cl)cc1 1740756931 LVADBISWARTETA-IFMALSPDSA-N 437.975 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nnc(C)s1 1740766098 CFTBQPMECGWXQG-KRWDZBQOSA-N 426.590 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OC)CCC(C)CC1 1740774458 SYHZYGOEQLABAS-WQNVSQMQSA-N 440.588 4.788 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(F)F)C1 1740805707 WAFZQLLDTGZWKP-ZDUSSCGKSA-N 431.712 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OCC)CC1 1740845187 HSBCNLUVPWEPQK-UHFFFAOYSA-N 437.544 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCCCO1 1740847084 WNNUTVNUDVCFSV-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)NCCC)CC1 1740849415 IPROWPGSPSMRBV-UHFFFAOYSA-N 437.632 4.522 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1740872589 PAXBHJNGRHPCAC-UHFFFAOYSA-N 432.616 4.875 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1740878054 GUFWDRVHGKCXDI-QFIPXVFZSA-N 435.616 4.623 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740916958 CBHLFRXPWYKYQT-HSZRJFAPSA-N 449.599 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1740920242 JNUGTTQBTBBMOE-UHFFFAOYSA-N 447.612 4.767 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)cc1OC 1740936409 SSXDNIISLVEKIG-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)C1CC1 1740939403 WDRNKSZRZSFCTM-QFIPXVFZSA-N 447.004 4.613 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1740948221 BNPDFCUHFUVOEN-OAQYLSRUSA-N 436.604 4.543 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2Cl)C1 1740984481 CIWCQTGAORSPAS-SFHLNBCPSA-N 445.007 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CCN(CCC)CC1 1748638957 ACDWGXGGKSOHMB-IRLDBZIGSA-N 437.632 4.615 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC2(CC2)C1 1748707073 ZUZWTWDIMYDUDI-UHFFFAOYSA-N 443.389 4.900 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749175325 DUPWOYASSJRMIW-UHOSZYNNSA-N 426.561 4.562 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCc2csc(CC)n2)CC1 1749343711 QDLIRRGMGXXSLL-UHFFFAOYSA-N 425.577 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1749364067 LZPXFRSXXDYZIN-UHFFFAOYSA-N 442.995 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1749375394 BIKQUJDQUYPCQJ-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749406420 HYENINSHZGCLHM-VRUMLPLGSA-N 438.616 4.582 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1CC 1749532015 RSKQCKRQBFLWCW-VXKWHMMOSA-N 429.572 4.569 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760141204 MWABVWLXRVKDOB-DENIHFKCSA-N 431.411 4.887 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@H](CC)C1 1760275944 OGEOBURVWFWTHD-GOSISDBHSA-N 446.711 4.974 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)CC 1760290264 AFNLLYPTFBQGFE-CLJLJLNGSA-N 431.584 4.506 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(CC)C[C@H]1CCCO1 1760315898 KBBRNPSBPNIRHC-YCAMKHIRSA-N 438.616 4.807 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(F)c(F)c1 1760317726 JQUXUUCVXCWHTM-LAUBAEHRSA-N 428.483 4.742 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccccc1 1760367484 JFJVLYDKJYDRIY-UHFFFAOYSA-N 434.769 4.825 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(SC)CCOCC2)CC1 1760392321 MHKVJHMUKWBGRE-UHFFFAOYSA-N 442.629 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1760410319 AGELDUXYQBIHBL-QFIPXVFZSA-N 443.599 4.612 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCc1cnccn1 1760432539 PHAJCLMXDPYTOK-UHFFFAOYSA-N 441.583 4.788 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@](C)(CC)C1 1760568729 QYZSXWLSDUDGGQ-JOCHJYFZSA-N 432.659 4.803 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(C)CCCS1 1768987009 DWRGKKJNBGLKGJ-HRAATJIYSA-N 431.631 4.603 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2c(F)cccc2Cl)CCO3)c1 1858459062 QGCDPWUNZQYDLD-UHFFFAOYSA-N 435.842 4.642 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)Cc3ccccc3)c2)sc2c1CCCC2 1860103068 ZVDIGRBVPSNJMD-UHFFFAOYSA-N 445.544 4.697 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(=O)n(CCC)c1)[C@@H](C)CC 1861243696 PBEIWTVLEAHTIT-NZQKXSOJSA-N 433.637 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1Cl 1862444290 VVOHRHFJFZGEQT-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1862453298 WKWXFHWXHGYWCR-KRWDZBQOSA-N 432.701 4.867 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(O)cc1 1862523728 NYCVBYYSSZZBGA-KPZWWZAWSA-N 430.298 4.532 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862544418 CGPFUIFZFJDPGI-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862559361 MNEQYPLNNQCEJT-QHCPKHFHSA-N 434.536 4.969 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2cccs2)c1 1862559637 SQORSDOLLCQBLO-QFIPXVFZSA-N 448.544 4.550 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(OCc3ccccc3)c2)c1 1862568821 ZABUUVGRGMQQMG-XMMPIXPASA-N 440.499 4.589 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862615001 GSOOFROMOPWBCY-JTHBVZDNSA-N 449.547 4.750 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)c1 1862702649 ILOIOXRSLVZUTL-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 1862835043 NOQXUGBSKNWVDQ-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1862871692 AWMSYILCOQADGB-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc4c(O)cccc34)=C(c3ccccc3F)C2=O)cc1 1862925879 KEXKSNFEIVAZPH-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(c3ccc(F)cc3F)C2=O)c1 1862946312 HVIKHMMDNPOEJR-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(SC)c2)C(=O)N(c2cccc(C#N)c2)C1=O 1863060241 ODHZAOGDYRCSOQ-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863358053 AVXPDUDNTRGPKI-UHFFFAOYSA-N 430.426 4.871 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2Br)=C(c2c[nH]c3ccccc23)C1=O 1863501779 WTQFWHGRJASFMP-UHFFFAOYSA-N 436.309 4.617 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCO)C1=O 1863727232 NDDFZMQXYLWONW-UHFFFAOYSA-N 441.399 4.796 30 10 IJEE C=CCN(CC=C)C(=O)CNC(=O)C[C@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1 1869021683 YHKCJTKIDHJRQJ-HSZRJFAPSA-N 440.971 4.578 30 10 IJEE Cn1c(C(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc2ccccc21 1870160714 GNDLCUXWZLXEOZ-UHFFFAOYSA-N 434.459 4.675 30 10 IJEE CC(C)(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCn1ccnc1 1870233136 XESSPGVUWRSFKC-UHFFFAOYSA-N 436.581 4.617 30 10 IJEE C=CCOc1cn(CCCC)c(CSc2nc3ccc(OC(F)F)cc3[nH]2)cc1=O 1870243720 GUUNGPMZFJQVFG-UHFFFAOYSA-N 435.496 4.983 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(CCCCCNC(=O)c3ccccc3)[nH]c2c1 1872795503 IAHIGTIMNAUXRH-UHFFFAOYSA-N 430.552 4.520 30 10 IJEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1872846665 MUTNPPVDUYCWEF-UHFFFAOYSA-N 442.559 4.965 30 10 IJEE Cn1ncc(N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(Cl)c1=O 1873525968 HNSRWCGZUYGIRP-NUGSKGIGSA-N 437.714 4.766 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(N3CCc4ccccc4C3)ncnc21 1873674032 BSZVDKPABDSRMQ-UHFFFAOYSA-N 437.547 4.995 30 10 IJEE CCCCCCCCNC(=O)CCCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 1873885936 AAJDQIZKEYVQHH-UHFFFAOYSA-N 433.549 4.562 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SC)cc1 1874262856 UEHGOVYJELVGEC-OEAKJJBVSA-N 429.977 4.961 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccn2C)cc1 1874290881 WNEGWQAZHHQTDL-MFKUBSTISA-N 447.564 4.687 30 10 IJEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1O 1874416268 HUJVBLMFTFAYJF-CVKSISIWSA-N 448.523 4.897 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C1CCCC1 1874452293 OBZLUNFUQJXKQP-LPYMAVHISA-N 425.583 4.919 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccco1 1874468830 ZNMMWEPFPLEBGE-BFTFCADCSA-N 445.548 4.698 30 10 IJEE COCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Br)cc1 1874500426 ROPIOMOUAULTII-SRZZPIQSSA-N 431.359 4.670 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(OC)cc2)cc1 1874512154 YXHMRWLQTSNZSV-ZVHZXABRSA-N 437.569 4.586 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1c(F)cccc1Cl 1874522119 CFLSXERZMIFEBH-BHGWPJFGSA-N 445.951 4.863 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OCCCO 1874630627 LOHCUKMZGPIZQH-VOTSOKGWSA-N 449.341 4.740 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1874700560 ZSUMZLICXLJPLY-DHZHZOJOSA-N 433.416 4.727 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1875094938 QKSHDCFODZKEKX-PKNBQFBNSA-N 448.387 4.627 30 10 IJEE CN(CC1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1)c1ncccc1C#N 1890851344 FFIKILMRMYHYDU-UHFFFAOYSA-N 436.865 4.614 30 10 IJEE CC1(C)C[C@@]1(C[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952414313 FFHHGAWWKMZFCC-OWJWWREXSA-N 425.550 4.715 30 10 IJEE CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)CC(=O)O 1952923407 RIZXYVCLEVPJIR-IBGZPJMESA-N 435.492 4.712 30 10 IJEE C#C[C@@H](C1CCC1)N(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1993810658 BHVHBPFEYPHKJR-IZZNHLLZSA-N 444.575 4.810 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]21 2009368873 JYAHUPIYJQEYLV-QYWGDWMGSA-N 434.541 4.606 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNc2ccc(C#N)cc2Cl)C1 2025250692 VWRCUNSGXJXNEF-HXUWFJFHSA-N 440.975 4.745 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815738 QNBDPMKKIJQSQW-LJQANCHMSA-N 440.908 4.584 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1F 2060624895 DEMAEJRZLHMAHF-UHFFFAOYSA-N 434.317 4.527 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1F 2079111453 KAELYXWVRAKMJI-JDYBYSMLSA-N 439.272 4.620 30 10 IJEE N#Cc1c(C2CCCCC2)nn2c(O)cc(-c3cccc(I)c3)nc12 2080822412 PIGOCKAGOOPSKC-UHFFFAOYSA-N 444.276 4.626 30 10 IJEE FC(F)(F)C[C@H]1CSC(=NCc2scc(Br)c2Br)N1 2094177455 ONRLZBLSPZQPTM-YFKPBYRVSA-N 438.132 4.787 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1c(F)cc(Br)cc1F 2114280840 FHTRAGZRBNQMQF-WOJBJXKFSA-N 426.301 4.512 30 10 IJEE C[C@@H]1C[C@H](CNc2ccc(C#N)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2115936292 KBMZBWJUBNNOII-CHWSQXEVSA-N 426.330 4.765 30 10 IJEE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(c2cc(Br)cc(F)c2C#N)C1 2118191178 CIHFWNKEZYLWAS-IBGZPJMESA-N 426.330 4.734 30 10 IJEE CC(C)N(C[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1)C(=O)OC(C)(C)C 2174814748 LBJALTKNWLQHEP-OAHLLOKOSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCCC[C@@H]1CN(c1cc(Br)c(C#N)cc1F)C2 2174821480 IBYRJUDHOSYODP-VLIAUNLRSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC(=O)Nc1cc(Br)ccc1C#N)C1CCC1 2181106417 WAUMWEMKKJATKS-HNNXBMFYSA-N 436.350 4.590 30 10 IJEE O=C(C#Cc1ccc(Cl)cc1)[C@@H](O)c1cc(Br)c(Br)s1 2239556519 JXACJTVHNHJMNM-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)c1 2266067474 VTWKBRSUWOAXBS-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)cc21 2267581935 WUWJETRBPRQZQA-UHFFFAOYSA-N 442.365 4.795 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2278817760 JMABCLXMFAMTMF-FUHWJXTLSA-N 435.387 4.716 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=CC2=Cc4ccccc4OC2)C3=O)cc1 2296868491 LKDVIXBLMGSAPX-UHFFFAOYSA-N 440.451 4.987 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 2305319131 KFUXRBLANLBUJQ-OFVILXPXSA-N 430.589 4.801 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1ccccc1C(=O)O 2314926488 KIODKCJOKIPJAT-UHFFFAOYSA-N 443.322 4.937 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccncc1 2321359011 KUAFELHXYUUPSE-UHFFFAOYSA-N 436.368 4.986 30 10 IJEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1ccccc1F)C2=O 2323388174 QKGIGPRMSAKXPC-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE CCOC(=O)[C@@H]1CCCN(Cc2c(O)cc(C)c3c2OC(=CC=Cc2ccccc2)C3=O)C1 2324059224 HHIKUFPKFOOQGX-HXUWFJFHSA-N 447.531 4.648 30 10 IJEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2324304944 BGIIPGVWEVZMRG-CYBMUJFWSA-N 431.282 4.784 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3C(C)=O)ccc2C1=O 2325566685 RESIBCMXBXHURZ-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE CCc1ccc(C2=C/C(=C3/C=C(C)C=CC3=O)NC(NC3CC(C)(C)NC(C)(C)C3)=C2)o1 2325712053 PCQTWPOHERAHQP-QURGRASLSA-N 433.596 4.908 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1 2325724703 OGSOLNIOJTVUIK-UHFFFAOYSA-N 442.467 4.957 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)cc1 2325739048 JJKUZTVXNAOVQE-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE CCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SC)cc1OCC 2329700051 ADUXOKJZEVSBJW-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2330101956 NQSCDRVELNQKNR-INIZCTEOSA-N 438.553 4.703 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c1 2331115853 AJGXXAQVWRFJJE-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccc(F)c1)c1ccccc1 2331228788 YNDKPPMMTHBJKW-MRXNPFEDSA-N 449.511 4.529 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1Cl 2331319384 NKWMHMZJCZTVHB-UHFFFAOYSA-N 427.961 4.887 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cncc(C)c1 2331334922 UUEKNRPIASQRKF-UHFFFAOYSA-N 435.451 4.970 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(CCC)nnc2SCCCO)cc1OC 2331661571 IWDISRARVNPDKQ-UHFFFAOYSA-N 434.606 4.555 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1Br 2331665003 VXMYBHLAVQEHML-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE Oc1ccc(Br)cc1C=Nn1c(SCc2cccc(F)c2)nnc1C1CC1 2331734251 AUWOUYPFQYJNRD-UHFFFAOYSA-N 447.333 4.937 30 10 IJEE COc1nc(Oc2ccc(NC(=O)OC(C)(C)C)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2339829502 PPMMPWBWUPDNDK-UHFFFAOYSA-N 442.321 4.529 30 10 IJEE N#Cc1ccc(COCc2cc(I)ccc2Br)cc1 2341557652 PEFDMZCIBRVKJA-UHFFFAOYSA-N 428.067 4.642 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360954539 GCKROBYIRNVJOC-NSHGMRRFSA-N 435.406 4.720 30 10 IJEE CC#CCCC[C@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366647319 FQUTWOYEARUOCG-JSGCOSHPSA-N 425.763 4.601 30 10 IJEE C=CCN1C(=O)[C@@H](Cc2ccc(Br)cc2)SC1=NN=Cc1ccccc1 1453050 WYDJBTQIEVTJIP-GOSISDBHSA-N 428.355 4.512 30 10 IJEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)ccc1O 2611238 JGXPUUFQTLEJJA-NHDPSOOVSA-N 447.358 4.628 30 10 IJEE C=CCOc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)c(Br)c2)cc1 9925648 XKSDOMIWVUNSFJ-SFHVURJKSA-N 432.314 4.824 30 10 IJEE CCCOc1ccccc1/C=C1\S/C(=N\c2ccc(O)cc2C(=O)O)N(CC)C1=O 16927764 KAWJOZIEZVOGMU-WXUMLGSOSA-N 426.494 4.503 30 10 IJEE Cc1c(NC(=O)[C@@H](C)Oc2ccccc2C#N)cccc1C(=O)N1CCc2sccc2C1 29826587 RAHOKPXVPAPHMW-QGZVFWFLSA-N 445.544 4.533 30 10 IJEE Cc1cccc(C(=O)/N=C(\NCCc2c(C)nn(C)c2C)Nc2ccc(F)c(Cl)c2)c1 32973719 MKDJZSHBHKDBLQ-UHFFFAOYSA-N 441.938 4.578 30 10 IJEE C=CCc1ccc(OCCCn2c([C@H]3CC(=O)N(CC)C3)nc3ccccc32)c(OC)c1 40251051 BCOHEUOLUSFQSP-FQEVSTJZSA-N 433.552 4.578 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F 62896788 RMVKWBMDGZVZRR-UHFFFAOYSA-N 444.413 4.936 30 10 IJEE C=CCn1nc(SCC(=O)Nc2ccccc2C)nc1-c1ccc(Br)cc1 72261381 SJSAHFARWXWOIL-UHFFFAOYSA-N 443.370 4.933 30 10 IJEE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 87493024 GUERPVMWCQXYEU-XGWMOTTNSA-N 444.656 4.820 30 10 IJEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccn1)c1c([nH]n(-c3ccccc3)c1=O)N2 98036740 WHTCUYYTKQDPKO-OYHNWAKOSA-N 440.528 4.580 30 10 IJEE N=C1[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)SC(=O)[C@H]1/N=C\c1cccs1 100394884 UUNVBPYJLJANGV-GEKBIPBHSA-N 426.350 4.533 30 10 IJEE CCCCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccco3)c2O)cc1 101348753 ZTBJOMQPYOKHFT-UHFFFAOYSA-N 448.519 4.956 30 10 IJEE CCN1C(=S)N[C@H](c2ccc(OCc3ccccc3F)c(OC)c2)C2=C1CCCC2=O 169933117 GVTXTVOCQUJLLN-HSZRJFAPSA-N 440.540 4.672 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccnc1 170010208 IFDSSFJQKFFTMR-QFIPXVFZSA-N 434.879 4.543 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)cc1 170011034 SUKRUGRRZHWFPJ-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c1 170049935 RDVLHIPLEPEHSK-QHCPKHFHSA-N 443.455 4.597 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(F)cc2)cc1 170062135 YTCWPNLCQCTIMA-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170093202 VYVBGTFLMYJEGL-NRFANRHFSA-N 443.411 4.503 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(N(CC)CC)cc1 170138848 OFOJWKCIQVZVKE-QHCPKHFHSA-N 436.552 4.838 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1cccc(C)c1 170139657 AKXJNYMGRSQWGS-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)cc1 170144686 KLSJWVBGVLPGDR-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccs2)c1C 170158686 MSEMMHQKRZIXFG-QFIPXVFZSA-N 447.512 4.919 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)ccc1Cl 170185449 RTDAJYMGGRCBMU-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c1 170223829 KKHSZEQOLRMMNC-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)c1 170225498 LVASNMRQLNKIIO-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1F 170247571 CTSNEROTKQXMKT-QFIPXVFZSA-N 441.499 4.616 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(O)cc1 170448336 JIPGTRMIZKUQFE-LJQANCHMSA-N 435.398 4.806 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)cc1)N2 226784806 YVVXDWCTFHCCED-OTNCWRBYSA-N 436.577 4.884 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc2ccccc2c1 253573221 REIVPCQEHYWOFM-UHFFFAOYSA-N 445.504 4.923 30 10 IJEE CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cn(CCCC#N)c2ccccc12 444416064 WROWKNPNYLKABK-MHZLTWQESA-N 443.547 4.726 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 460368975 JRIPWUROSKDAIF-JOCHJYFZSA-N 434.588 4.940 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 460911774 UXIFKHSYBDGKMK-UHFFFAOYSA-N 442.825 4.679 30 10 IJEE N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 488175837 JLKRULGCHZDOEM-CQSZACIVSA-N 435.409 4.958 30 10 IJEE N#Cc1cc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)ccc1Oc1ccccc1 490482844 CGSGJGUKOHFAHJ-QHCPKHFHSA-N 427.460 4.720 30 10 IJEE C=CCOc1ccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 513155586 XBRJVXKZZRAKJC-UHFFFAOYSA-N 429.358 4.865 30 10 IJEE COc1ccc(C)cc1NC1=C(SCc2ccco2)C(=O)N(c2cccc(C#N)c2)C1=O 526645113 FKYFGKNOEXWMDJ-UHFFFAOYSA-N 445.500 4.599 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1 526801395 OHUJSTPLGLRGDQ-JLPGSUDCSA-N 429.505 4.952 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526811517 MONWDOPCXBNOML-CFRMEGHHSA-N 440.569 4.658 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C[C@H](c2ccccc2)O1 549125802 URRNUKJEGYTNOW-CJFMBICVSA-N 435.531 4.831 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 549633812 APQMNKNJJPWIBW-DEOSSOPVSA-N 445.542 4.952 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 549641813 XXGFADFPVSUCKG-IIBYNOLFSA-N 440.569 4.566 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 575731245 FWFOGYXJQJLODR-GOSISDBHSA-N 438.494 4.857 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccccc3OC)C2)c1 585997201 YSOVJUGTSUWESL-NRFANRHFSA-N 435.568 4.567 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 733200619 GRJHNKMWZFYQBV-HXUWFJFHSA-N 439.968 4.940 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=S 742172689 URPGRKZQOXQPFI-SIKLNZKXSA-N 435.597 4.698 30 10 IJEE Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)CCC2=O)cc1C 760968569 LCJHHHNGBVXMBC-AEFFLSMTSA-N 436.462 4.668 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN(C)Cc2ccc(Br)cc2C)c1=S 766088021 GNCSIZIARBYRPK-UHFFFAOYSA-N 444.402 4.823 30 10 IJEE N#C[C@@H](C(=O)CCCCC(=O)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 783339660 GEDSTUSHNNVQPK-KRWDZBQOSA-N 433.533 4.895 30 10 IJEE COc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2)cc1Cl 917612259 MTMFDGLTDRIZAX-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE COc1ccccc1N=C1S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1C 1083919362 AXCJOCINWMQDAZ-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE C[C@H](c1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1)C(F)(F)F 1125759402 AUILZODEGIFOPM-MRXNPFEDSA-N 438.453 4.735 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H](CC)c2cccc(OC)c2)nnc1-c1ccco1 1127688170 RCQAZWHEFMWWJM-SFHVURJKSA-N 427.526 4.909 30 10 IJEE C=CCN(C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12)[C@@H](C)COC 1131091152 ZGZILUMRGZLJCS-ZDUSSCGKSA-N 433.430 4.880 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C)(C)Cc3ccc(C(F)(F)F)cc3)n[nH]2)c1C 1154387074 PTVPGYFDYFEPCF-UHFFFAOYSA-N 445.489 4.846 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C(=O)OCC)c1nc(Br)sc1C 1167116725 VLMTZTWHJOATJN-KRWDZBQOSA-N 439.375 4.515 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(F)c1)c1ccc(C(F)(F)F)cc1 1188471374 XBXLJCKNVZHZEW-SFHVURJKSA-N 445.434 4.617 30 10 IJEE COc1ccccc1[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)OC(C)C 1204206634 BDXCENMBAZCPGF-LJQANCHMSA-N 437.418 4.753 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@@H](C)C2)c1 1209497925 KDIFFWVNLDVEJF-WWEVIYMKSA-N 440.609 4.757 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(Cn2cccn2)cc1 1219084014 DGHYFVUGWAKQCV-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE N#Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 1272170916 GABZJPPUKKQPGO-NRFANRHFSA-N 448.320 4.821 30 10 IJEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1286321746 UPSFEQPLXHRGRJ-SFHVURJKSA-N 435.601 4.503 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC[C@@H](C)C1 1286339671 NYTGDPJYMBSZES-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(C)(C#N)CC1 1286354908 AXLCJQNIQASBGO-UHFFFAOYSA-N 439.991 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1286546210 HILKPCBRIBBLBI-KPLVRAHFSA-N 439.560 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOCC 1286551526 MHLWRQWVRCBCFI-HMFYCAOWSA-N 444.645 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC)(CC)C1 1286553904 WBLFMQOIFALRSU-AZUAARDMSA-N 429.996 4.991 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1286603295 RADCPHHXYPMUGH-WBVHZDCISA-N 433.394 4.843 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCc2nccs2)CC1 1286664240 SWPVQVOYIGKLMV-UHFFFAOYSA-N 437.613 4.966 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CC)CCOCC2)CC1 1286665526 JJLGUGKIAWUCQP-NHCUHLMSSA-N 430.637 4.806 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1286697393 MCOZFGXPPXJDPS-UHFFFAOYSA-N 435.963 4.833 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CSCCS1)C1CC1 1286731828 GBWNFFINVRITDE-DOTOQJQBSA-N 434.606 4.561 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1286751201 NASMMNVXJACFMZ-DHIUTWEWSA-N 441.664 4.641 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286770205 ANXUHUWWPHLSIB-QZTJIDSGSA-N 449.393 4.542 30 10 IJEE CCC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)OC 1293950135 APKOAKGWIOAIHB-UTKZUKDTSA-N 429.540 4.502 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 1295537406 ZJADQNALYBEFSY-MRXNPFEDSA-N 429.442 4.817 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1295636097 CQYIRSDITKBEPI-RBBKRZOGSA-N 435.597 4.966 30 10 IJEE C=CC1(CC(=O)NC[C@@H](c2ccc(CC)cc2)N(CC)CC)CN(C(=O)OC(C)(C)C)C1 1298681846 MFHRMKJJAFOUOU-QFIPXVFZSA-N 443.632 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)CCC 1300282844 QLJLFIVISRTMAX-HJPURHCSSA-N 426.561 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnc(C(C)(C)C)s1 1300286273 HBJKXSSGUBBQOJ-LBPRGKRZSA-N 449.411 4.907 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCc1sc(C)nc1C 1300641484 HZYNFTRULUVLSB-UHFFFAOYSA-N 425.577 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCSC(C)C 1300789785 YOEYJSXMWCUAEY-GOSISDBHSA-N 439.448 4.903 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2nccn2C(F)F)CC1 1301110090 TUTSYANQHBJXLB-IBGZPJMESA-N 426.515 4.862 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1301196846 KSALCPJQUJUXBQ-IRXDYDNUSA-N 430.984 4.661 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1301208299 REGQSYZKECDYSY-UHFFFAOYSA-N 434.588 4.951 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1CCc1cc(Br)ccc1F 1301380814 LIGAXQKMKIHJGT-UHFFFAOYSA-N 430.325 4.596 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1C 1301403159 VWBOZWAOTNMSCY-RDPSFJRHSA-N 432.616 4.811 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[C@H]2CC)C1 1301556379 IGUMULOZIXOZES-CEXWTWQISA-N 430.543 4.755 30 10 IJEE CCOC(=O)c1cccc(NC(=O)c2cccc(N[C@@H](C)CC3(C#N)CCOCC3)c2)c1 1308797659 HSPIAWDSGPYOIB-SFHVURJKSA-N 435.524 4.626 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(Br)ccc1C1=NCCO1 1311199753 JOTUCFBJPWORGM-KRWDZBQOSA-N 428.330 4.535 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)cc2n1 1311237959 ROFDBNUISYXUHT-QGZVFWFLSA-N 430.339 4.930 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2=O)C1 1323714466 CSYKEZGKRCDNQB-MRXNPFEDSA-N 430.335 4.605 30 10 IJEE CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 1347947002 FZGVRAYQVBUZQU-HNNXBMFYSA-N 432.351 4.921 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(I)c(F)cc1F 1351263889 RXLBRJAULNDJMQ-UHFFFAOYSA-N 431.195 4.537 30 10 IJEE CCCc1ccc(N2C[C@H](C(=O)N(Cc3ccco3)c3ccccc3C#N)CC2=O)cc1 1358171307 BXFHNBMHFIQXSH-OAQYLSRUSA-N 427.504 4.690 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)S[C@H](C)C1 1358907042 AWVLVYJQMZMZLQ-ZIAGYGMSSA-N 439.448 4.903 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 1358917669 XTAQCBVUTMWLMC-UHFFFAOYSA-N 446.064 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)C1CCC(C)CC1 1359100820 GSVFNVJCOBDGFM-UXUZRQAQSA-N 438.616 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CCc1sc(C)nc1C 1359116194 BKBXKASHTVHWHW-UHFFFAOYSA-N 429.565 4.715 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1359119703 JWLPRIZMUBDLEU-SFHVURJKSA-N 428.577 4.712 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1359146511 ATIDCNBWGZHIDP-QGZVFWFLSA-N 437.009 4.827 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccncc2Cl)CC1 1359159359 UQRAMIIPSWYERM-MRXNPFEDSA-N 427.911 4.810 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1359160898 IUMKDZOTAXZRTD-WMZHIEFXSA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 1359218069 WMCFCPBLQRDHPM-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnc(C(C)C)nc1 1359220873 LVRPZNZAFZJBMO-WOJBJXKFSA-N 426.609 4.713 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1359224556 VXVWPOGACUIAKH-GOSISDBHSA-N 444.988 4.831 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1Cc1ccnc(C(F)(F)F)c1 1359261600 OOOWKVGMXJAWJI-UHFFFAOYSA-N 449.452 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc([C@H](C)O)cc1 1359263682 JACNQDKMLAZSDX-AVRDEDQJSA-N 438.597 4.875 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(Cc2ccsc2)CC1 1359283801 WFNUGWODLWEIAM-HXUWFJFHSA-N 437.613 4.605 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)cc1OC 1437876652 NSJSBJSSNNXDHP-DKOVKCOZSA-N 449.547 4.741 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 1451962705 SFEFPHTUWQCQLS-UHFFFAOYSA-N 436.537 4.583 30 10 IJEE CCc1nc2ccccc2n1CCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1451967021 CPUMKFPGJRGSGW-INIZCTEOSA-N 428.458 4.948 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 1456306509 LBWKYHYFWUGXDZ-QFIPXVFZSA-N 425.573 4.558 30 10 IJEE C=CCN(C(=O)c1ccnc(OC2CCCCC2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1459001333 QHIWWUJSRMLJIB-QHCPKHFHSA-N 436.552 4.596 30 10 IJEE C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCCN(c2ccccc2C#N)CC1 1459434047 AGZCKLNKSVLVAQ-OAQYLSRUSA-N 440.547 4.890 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 1464750771 VXSCVNPEWJBNKX-MRXNPFEDSA-N 434.537 4.617 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)c1 1464787287 IRPUIABMTQHIAI-BVYCBKJFSA-N 444.572 4.775 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 1465529025 DNUXASZCVYITQP-SFHLNBCPSA-N 434.584 4.934 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1466207539 PTONVBQWYDQLDK-QFIPXVFZSA-N 430.504 4.821 30 10 IJEE C=CCN(C(=O)c1cc(Cc2ccccc2)ccc1O)[C@@H](Cc1ccccc1)C(=O)OCC 1466893123 PPAWHKXKTDXYFD-VWLOTQADSA-N 443.543 4.786 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2nc([C@H]3CCC[C@H](C(F)(F)F)C3)cs2)n1 1467146551 IMSKOIMIDJERAW-GJZGRUSLSA-N 439.507 4.863 30 10 IJEE CC1(C)CN(C2(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)CCCCC2)CCO1 1472690659 DXMKCPCKKXWJQE-UHFFFAOYSA-N 435.616 4.710 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl 1472924783 YOJQJUAPOMSMCN-LJQANCHMSA-N 435.376 4.975 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1476149662 IAVORYWAVKCEIG-UHFFFAOYSA-N 439.487 4.775 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1476648359 BMRLNRMMRNFCQD-UHFFFAOYSA-N 425.330 4.897 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 1478310216 DROWFRBNGHZILH-DYESRHJHSA-N 431.374 4.965 30 10 IJEE COc1cc(OC)cc(C2(F)CCN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)CC2)c1 1478842626 CDPGSRFKJLNMFT-HSZRJFAPSA-N 437.515 4.623 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Br)c(Br)c1)c1ccc(F)cc1 1478894405 YERGIPSMIZAZJK-INIZCTEOSA-N 440.110 4.524 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507577847 VJYZYVKQZADYNR-SFHVURJKSA-N 438.963 4.902 30 10 IJEE C=C(Br)Cn1c(C2CC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1507781513 AWDLMJZYLTYSRB-RBUKOAKNSA-N 431.378 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)c1ccsc1 1507812665 ORIGWJFPKLOBQC-GAJHUEQPSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CCOc1ncccc1F 1507814628 CKFWUAKQYVOKNR-UHFFFAOYSA-N 432.503 4.509 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1507827631 YQBWCCNPPRTJQY-MRXNPFEDSA-N 441.929 4.885 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507972071 SIQNWNHPIDCCTH-CTNGQTDRSA-N 439.604 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCCCN1CCCC1 1507974896 LQJOATIQJIAIET-UHFFFAOYSA-N 446.437 4.904 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CCCC(F)(F)F 1507999137 XZDZTQMSEZWUMW-UHFFFAOYSA-N 433.478 4.827 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1Cc1ccc(CC)s1 1508009487 ZSXHFYQNCXTIQQ-SFHVURJKSA-N 426.561 4.786 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1508065610 NDACOAOKWAVEPW-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE Cc1cc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(CC#N)CC2)on1 1511954750 HOHWYJJMJVYYKV-LJQANCHMSA-N 434.544 4.510 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](SC)C(C)(C)C 1513679391 BNLSRSUJMDEMOF-PXNSSMCTSA-N 429.634 4.936 30 10 IJEE CC(C)(NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1cn(-c2ccccc2)nn1 1517667003 GTZAJXCIILPWOY-UHFFFAOYSA-N 437.503 4.791 30 10 IJEE CO[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1517862915 BRFWMPLESAZLQK-DENIHFKCSA-N 446.020 4.779 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)c1ccc(C(F)(F)F)cc1 1520114378 UBZHJNVGFKSYCF-QGZVFWFLSA-N 445.401 4.632 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCCNC(=O)c2ccc(F)cc2F)C(C)(C)C)cc1 1523245731 KRMWPBVTCUPPIJ-UHFFFAOYSA-N 444.522 4.867 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(-c2cncnc2)cc1F 1524983224 IHYZVKLRZIHOND-UHFFFAOYSA-N 428.261 4.862 30 10 IJEE Cc1nc([C@H]2CCOC2)sc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1526015826 BOZMFMKPZMLWIN-FQEVSTJZSA-N 435.524 4.809 30 10 IJEE CCCN(C(=O)COc1cccc(Br)c1C#N)[C@H](C)c1ccccc1OC 1526370061 GDUOMIAIRGZUDO-OAHLLOKOSA-N 431.330 4.708 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)c1ccccc1 1526452940 QEZUYRGDDJZAQV-PKTZIBPZSA-N 438.568 4.955 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)CCCN1C(=O)OC(C)(C)C 1526600645 NJEMBBPTRTXVIH-QFQXNSOFSA-N 442.600 4.822 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(OC)c1 1528501711 VDOIMCZPIULHEL-LJQANCHMSA-N 445.384 4.824 30 10 IJEE C=CCOc1ccc(COC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1 1536714645 FQBMCYPQMUGBTN-JWGURIENSA-N 444.516 4.708 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)cc1OC 1538350644 OIUXBWINMLOPOX-WQLSENKSSA-N 436.552 4.942 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](N(C)C)CCc3ccccc32)s1 1538770218 FQXSAMARLCPZTC-QGZVFWFLSA-N 436.046 4.748 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1OC 1538828434 CSQHYDOGFUELGU-ZETNRXDVSA-N 447.362 4.975 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1 1538991891 GIXQEZYPSRYPAV-IAGOWNOFSA-N 432.515 4.634 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N(CCC#N)CC1CC1 1539579850 CYAIGHIAVCVPGA-UHFFFAOYSA-N 426.318 4.730 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)Cc1scnc1C 1539786806 BGASJXJDXRWCBF-UHFFFAOYSA-N 433.965 4.506 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539898310 RGUMVNUDFQCCPW-CPJSRVTESA-N 426.605 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1539908817 BGBQWGZVXLRANV-MRXNPFEDSA-N 426.483 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccccc2C)C1 1539924242 PRASXFFLMGGZLF-QHCPKHFHSA-N 431.584 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1539929557 XXQRDYCWTGGEEZ-HXUWFJFHSA-N 442.579 4.851 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1Cc1noc2c1CCCC2 1540119456 JNRUKNZSAWLDIP-SFHVURJKSA-N 435.572 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1CC1CC(C)(C)C1 1540140330 NCEAVTICNIYSPL-HSZRJFAPSA-N 430.618 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCSC1 1540153206 AUQHZTIWEABYHJ-OAQYLSRUSA-N 447.029 4.860 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1c(CC)noc1C 1540158945 UGYBPXPHHJZCCF-UHFFFAOYSA-N 448.390 4.855 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)N1CCc2ccccc2C1 1540164135 IJMUGXYNVXARLA-UHFFFAOYSA-N 442.611 4.664 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1540175470 ZKWVWWSTXJKNGQ-URXFXBBRSA-N 449.599 4.748 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CC2)n1Cc1nc(C(F)(F)F)cs1 1540182172 LCAIISALDYVWNU-UHFFFAOYSA-N 447.530 4.989 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(C#Cc4cccs4)c3)n[nH]2)c1C 1540641247 LWWAGGLSVLNFMB-UHFFFAOYSA-N 427.533 4.790 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc([C@H](C)CC)cc2)C(C)C)cc1 1542540331 RYCWWKVQMCHBHY-JPYJTQIMSA-N 428.598 4.792 30 10 IJEE C=CC1(CC(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)CN(C(=O)OC(C)(C)C)C1 1543564523 IHEVZZBXAJABBR-JOCHJYFZSA-N 435.568 4.603 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)CC(C)(C)C3)cc2n1 1563302183 VQJXCTUDSPEHMY-LJQANCHMSA-N 441.576 4.770 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c(Cl)c1 1563327745 WYXSOZWIFLELSU-KFKAGJAMSA-N 431.964 4.867 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)NCCc3ccc(Cl)cc3Cl)CC2)c(F)c1 1563479349 CEVUSWWOAYYUAA-UHFFFAOYSA-N 436.314 4.800 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(Br)cs1)c1ccc(Br)cc1 1564999909 QAIUOWKNVKJJFO-HNNXBMFYSA-N 442.176 4.789 30 10 IJEE C#C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccc(F)cc1 1583539111 MSKZJVMTTGBNKX-RUZDIDTESA-N 439.490 4.720 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(C)s1 1587598573 CGUMEMTUPGNGRW-ZDUSSCGKSA-N 445.386 4.592 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@@H](C)C1 1587705934 KHMPYEVGYYOZPJ-NRFANRHFSA-N 431.584 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C(CC)CC)N(C)C 1589186005 OKZONMWEDFZJSQ-RPLLCQBOSA-N 444.627 4.852 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1593717998 NWFAFTKKHFYINC-CVEARBPZSA-N 449.393 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1595200969 XEVSDGUIICUFGG-SZPZYZBQSA-N 446.643 4.983 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CCc1nc(C)c(C)s1 1595222505 CDARFEGDJLEQAR-UHFFFAOYSA-N 429.540 4.642 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CN(C)C(C)C)CC1 1595334582 AVRMVXDLUGTTNN-GOSISDBHSA-N 427.662 4.874 30 10 IJEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1cccnc1)C(C)C 1614171029 FSECKMHEKOPRMJ-LADGPHEKSA-N 444.583 4.942 30 10 IJEE C=C(C)[C@H](NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)c(F)c1 1617338890 NKNLWSOSECWSGV-VWNXMTODSA-N 447.957 4.778 30 10 IJEE COCCN(CCC#N)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccco1 1619909706 HGHSYTBMFXOIAU-UHFFFAOYSA-N 441.944 4.821 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1ccccc1 1624054078 FNYWJDYLTCNFOG-QFIPXVFZSA-N 425.504 4.517 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1624076087 HFKAKGYNTFOFML-FQEVSTJZSA-N 432.948 4.843 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 1626250978 FVBGHBKDANVUNV-VWLOTQADSA-N 448.975 4.899 30 10 IJEE C#Cc1cccc(NC(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)c1 1628196596 NXHNAWLHPMPDBE-UHFFFAOYSA-N 425.554 4.566 30 10 IJEE N#Cc1ccnc(N2CCN(C(=O)c3cc(Cl)ccc3Sc3ccccc3)CC2)c1 1629268264 CAGUDKIHABOSCJ-UHFFFAOYSA-N 434.952 4.720 30 10 IJEE COc1ccc([C@H](CN2CCCC2)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 1630881306 GANCCAJIVJTMFH-SANMLTNESA-N 441.531 4.926 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1631513405 DRRGMIMFODCSJV-OAHLLOKOSA-N 440.487 4.981 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)nnc1-c1ccc(Cl)cc1 1638604538 BIEHRRDDVPQAIV-XMSQKQJNSA-N 442.947 4.630 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(OC)c(OC)cc2C1(C)C 1643677909 MVODDCPXZVMLQA-LJQANCHMSA-N 446.588 4.573 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 1648434771 BKUVDMXNVCHYIV-HSZRJFAPSA-N 431.923 4.735 30 10 IJEE C=CCc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc(OC)c1O 1651338536 XUNIJSAUTBTTBX-FCHUYYIVSA-N 438.568 4.622 30 10 IJEE C=C[C@H](C)Nc1cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc(Oc2ccccc2)n1 1651639072 WXFSWDBHKPQIGB-ZWKOTPCHSA-N 439.560 4.749 30 10 IJEE C=CCn1c(SCCOc2cccc(C#N)c2)nnc1-c1ccc(Br)cc1 1651650666 FYYZYPGGMPJCFZ-UHFFFAOYSA-N 441.354 4.936 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 1655322666 BUUQJWSHOZXFSC-USCONSEESA-N 429.923 4.543 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccc(C(F)(F)F)c2)nc2sccc2c1=O 1656076860 QGZLTTMPMQXOTH-UHFFFAOYSA-N 439.484 4.784 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1OC 1656308690 UHJWWLATIWFNHM-IERDGZPVSA-N 446.950 4.894 30 10 IJEE CO[C@H](CS(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)C1CCCCC1 1661963964 CESGAWYECWWWPG-XMMPIXPASA-N 444.572 4.938 30 10 IJEE C=CCn1cc(CNC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)nn1 1667472038 OMGUECBKVKFKSD-UHFFFAOYSA-N 444.358 4.700 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl 1668728058 HZLBQBMKPBEGCW-QFIPXVFZSA-N 444.934 4.863 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1c(Br)cnn1C)c1ccc(C(F)(F)F)cc1 1670826572 IQLCKZIAWUEUDF-OAHLLOKOSA-N 445.283 4.708 30 10 IJEE Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2=O)cc1 1671071442 FQYJWXOYDCOIOY-UHFFFAOYSA-N 426.476 4.540 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CCCC[C@@H]3Cc3ccccc3)CC2)nc1 1683928442 ICGPFTWDWTZRGA-SMDVXAHOSA-N 432.568 4.744 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCCC[C@@H]3c3ccccc3)CC2)c1 1686473253 FYHJGEBDHRGMMG-UKILVPOCSA-N 444.579 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(Cl)nc1 1689834850 AMFJGHSLJNOMBW-OAHLLOKOSA-N 425.989 4.830 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC1CC(OC(C)(C)C)C1 1689855240 QXTKRIFODDDYQI-OCDPCBSRSA-N 429.008 4.964 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1689876999 OEZATXSWLKMGKA-JOCHJYFZSA-N 446.599 4.873 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSC[C@H]1C 1689904149 MERHMBQGTRZHHB-LJQANCHMSA-N 426.630 4.900 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H](C)c1c(C)noc1C 1690271131 DZAUYAIEEXWOMF-INIZCTEOSA-N 427.524 4.807 30 10 IJEE C=C(Cl)Cn1c(N(CC)Cc2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690359088 SMCCGHLYNRSCOJ-KDURUIRLSA-N 445.995 4.828 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1690445612 ZZIHOSXNTIBQDV-PZJWPPBQSA-N 439.604 4.551 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1690464935 NPLAHPNAAIGPNZ-SFHVURJKSA-N 432.634 4.824 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1690511151 RAHVTKZBMCABCI-OALUTQOASA-N 432.659 4.802 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1C)C(C)C 1690583194 CFPWTLIIZNGWIQ-SSGKUCQKSA-N 443.680 4.884 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC[C@H]1C 1690586367 LQQJETGODYWNIU-HUUCEWRRSA-N 437.407 4.620 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C(C)(C)C)n1 1690587101 YXPBVZRRIVEIFO-UHFFFAOYSA-N 432.597 4.992 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1690651365 ODAZJLCWXASPOX-SFHVURJKSA-N 444.988 4.953 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1690705930 FRFRFJNSFBEFIR-QUCCMNQESA-N 440.485 4.879 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCSCc2ccc(C)cc2)C1 1690707532 YMICNHFHQODLKQ-NRFANRHFSA-N 428.646 4.890 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(Cl)s2)C1 1690709736 KVCOIOSIPMNFIY-LJQANCHMSA-N 443.016 4.998 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CCCOC2)C1 1690737417 LXGGWXBUFDPACS-OAQYLSRUSA-N 436.984 4.664 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1690738779 YBTWJAIHTXDGJD-IYBDPMFKSA-N 433.419 4.719 30 10 IJEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCC(F)(F)C1 1692193346 GZZBGYKHKWGPED-IBGZPJMESA-N 442.558 4.500 30 10 IJEE C[C@@H]1CC(Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1693578454 DAEOMNVAJKBCEJ-IAGOWNOFSA-N 427.980 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](CCC)OC 1705477466 OJMWATRJBMHHHE-CMKODMSKSA-N 432.996 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCCS1 1705503392 WENKRKXKZSUDEH-HOYKHHGWSA-N 426.630 4.898 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OCC)C1 1705510421 PWOSUBFAWYXKOA-RXVVDRJESA-N 430.980 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccc(C)cc1 1705606775 FOCASNCPGYNAOD-LJQANCHMSA-N 434.609 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@](C)(O)C1CCCCC1 1705719590 DNSWVGLKTOZTPD-DEOSSOPVSA-N 430.568 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCCOC(C)C)CC1 1705777246 BFUFKEPUPNYJST-UHFFFAOYSA-N 434.588 4.943 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCOC(F)F)CC1 1705777918 TYGTWQVYBCHGSE-UHFFFAOYSA-N 426.895 4.639 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)c2ccccn2)CC1 1705785339 DWDKGZJTVPZGFZ-IFMALSPDSA-N 437.632 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CCc1ccc(OC)c(Br)c1 1705864191 TZUBWKCMANLGNT-UHFFFAOYSA-N 447.402 4.854 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cn(C)c3ccccc23)n1CC(F)(F)F 1705880422 FNONTUFTZQXJCK-UHFFFAOYSA-N 429.446 4.827 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2OCCC2(C)C)C1 1705919849 LVWXWZYAZYTYCM-FCHUYYIVSA-N 438.616 4.839 30 10 IJEE CCc1nc(CCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@@H](C)CC#N)cs1 1708987880 BPDUVHOFJSSOQO-AWEZNQCLSA-N 444.992 4.607 30 10 IJEE COC1(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)CCC(C)CC1 1711626638 COBYRYDPMRGOHU-WRVMZKTCSA-N 437.588 4.623 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CC(F)(F)CO1 1722403878 IECIQPKCWXIFHN-QGZVFWFLSA-N 446.498 4.696 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCCC(F)(F)C1 1722424507 PEEAOSGSJKZRLM-KRWDZBQOSA-N 436.934 4.900 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN(C(C)C)C(C)C)CC1 1722562183 OYMDPXJYLGVPKL-UHFFFAOYSA-N 446.437 4.983 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1722596882 AXAQGUKZENUZCM-QZTJIDSGSA-N 434.382 4.540 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722599435 FKRJXXMSRFSTOO-VQTJNVASSA-N 429.609 4.641 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722609469 CYBGOSINLDSIEZ-JOCHJYFZSA-N 439.604 4.701 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1csc([C@@H](C)OC)n1)C1CC1 1722646192 KAYVCOKAAGFGRD-CQSZACIVSA-N 429.977 4.966 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CCCC(F)(F)F 1722652292 BWPAAPOTSZBZKW-UHFFFAOYSA-N 431.462 4.884 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1722660196 OWCTYZMEGWLKKM-IBGZPJMESA-N 436.579 4.658 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CC1(C)CCOCC1 1722660510 XHWWZVDMWXSPOC-NRFANRHFSA-N 428.552 4.668 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc2c(n1)CCCC2 1722675335 NLLXOXWTUYKVMP-UHFFFAOYSA-N 443.595 4.974 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1Cc1c(CC)noc1C 1722675747 QWJUMNICAFXQJQ-UHFFFAOYSA-N 435.503 4.819 30 10 IJEE CC(C)(C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1722896718 DUZTZWZGHJUYQW-HSZRJFAPSA-N 434.632 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(SC)CCC1 1740665075 OEKCCWQRLHWOEA-UHFFFAOYSA-N 436.581 4.862 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1740716137 SHSZHDTUYMBPRP-HNNXBMFYSA-N 433.503 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1740728376 AMWUJUGCJWUMKB-BCQCSXDESA-N 449.643 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccncc1Cl 1740732948 VYHTXIRKTVEMOE-JOCHJYFZSA-N 426.351 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCCCC1 1740755168 YKVDOJXGZOPVHP-RXVVDRJESA-N 425.533 4.603 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCOC2CCCCCC2)CC1 1740829311 RSLYOHZSXHEYPC-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(N(CC)CC)nc2)CC1 1740835486 UKLQSISKKQQHEZ-UHFFFAOYSA-N 430.600 4.945 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1740853784 IXXVIGSECDCPAZ-SFHVURJKSA-N 442.489 4.874 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1740855092 LIAXOJDPXBGOFS-NOZRDPDXSA-N 445.611 4.877 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740871130 RKFYBRSJAFXEBH-IAGOWNOFSA-N 448.409 4.645 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1740871778 NSWKSGCIZSFREG-WZONZLPQSA-N 440.588 4.711 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCN1CC 1740918416 JKOARQXZNDCJSV-HSZRJFAPSA-N 430.600 4.716 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCSC1(C)C 1740920898 IBCHPZITWBVAMA-IBGZPJMESA-N 440.592 4.542 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2noc3c2COCC3)n1CCCCC 1740921052 JRXAIQHCSNEKAG-UHFFFAOYSA-N 425.508 4.528 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)C(C)C 1740922866 VPQPOUWUTBSFEK-HSZRJFAPSA-N 426.586 4.615 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740945750 RIKBNUNUTHKJSX-DEOSSOPVSA-N 428.577 4.568 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1745624483 DXXKGVYWRAQPCG-HSZRJFAPSA-N 434.632 4.811 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCCCC=C 1748882297 NTEQUBNZFNMIRO-UHFFFAOYSA-N 429.337 4.666 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CC12CCOCC2 1748919026 XKSMVKLPNPZIGX-JOCHJYFZSA-N 436.600 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)c1c(C)noc1C 1749073128 HPZCAJAYOSANKG-NIYFSFCBSA-N 447.583 4.875 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H](C)CC 1749089747 BSGFHCQVKQVFLW-AWEZNQCLSA-N 429.366 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 1749140803 SOVZCHTZBARUPE-OQEHDIDLSA-N 430.637 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)N1CCCCC1 1749155936 NEQSURJAGRDIEN-IRLDBZIGSA-N 427.593 4.742 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)C(C)C 1749539083 SJNGFTGBRYOIFD-HSZRJFAPSA-N 425.964 4.593 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCc2cc(F)ccc2C1)C(C)C 1749558721 XSHMIXVNHGQCLC-DEOSSOPVSA-N 437.607 4.946 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCN(CC)C1 1749561884 ZWDDXKUZEGYZHD-QHCPKHFHSA-N 444.627 4.873 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC[C@@H](C)N1CCCCC1 1749565744 QNHUHNSRXYFCCH-OAQYLSRUSA-N 430.600 4.936 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1Cc1oc(CC)nc1C 1749587076 GWVQKXLFTSCVGZ-UHFFFAOYSA-N 435.503 4.819 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](SC)C(C)(C)C 1760209340 ATGDDQDVMRILCI-WIYYLYMNSA-N 442.604 4.798 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OCC)cc1 1760322800 XTWZZJZKPQEGEQ-NZQKXSOJSA-N 426.605 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC[C@](C)(CC)O1 1760329446 ZBLJPZNDLRHDIG-BWKNWUBXSA-N 439.604 4.897 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760352847 ZHQXAQMLTGMOSL-PGRDOPGGSA-N 439.604 4.755 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)OC[C@@H]1C 1760368440 BTAGJGBBHZFEQJ-NSHDSACASA-N 431.787 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1760410124 UHHPQWNPFXVJOL-UHFFFAOYSA-N 432.616 4.829 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1760411319 JMSVKKGRZHZIDJ-SFHVURJKSA-N 447.587 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCC[C@H](C)C1 1760497075 QQAPTWLQFARAQH-FCHUYYIVSA-N 432.616 4.580 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2nc(C(C)(C)C)cs2)C1 1760549828 NJYOVLXBPWJPGY-SFHVURJKSA-N 429.634 4.594 30 10 IJEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC1CC1)C1CCCCC1 1763923929 GXQYQKLBIXAHCS-IBGZPJMESA-N 448.615 4.671 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C\c3cccs3)C(=O)N2Cc2ccco2)cc1 1772759519 SOEZIFSBXLTCGY-FYDGMIJASA-N 436.562 4.914 30 10 IJEE O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)ON1C(=O)c2ccccc2C1=O 1772790401 NUCLWDDKOOXWSH-UHFFFAOYSA-N 446.509 4.836 30 10 IJEE COc1cccc(N(C(=O)c2cccc(C#N)c2)C2CCN(Cc3ccccc3)CC2)c1 1859964600 KZQGJZZNAYRRLP-UHFFFAOYSA-N 425.532 4.878 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4cccnc4Cl)cc3)CC2)c1 1860685138 USJFEEWOUXWTAR-UHFFFAOYSA-N 443.890 4.755 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2Cl)cc1C 1862402941 KXUJYUGBZPBTMR-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)ccc1O 1862551241 RRDYYWZMGVCXFN-DEOSSOPVSA-N 449.547 4.904 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC(C)C)c1 1862644214 GEMOSVVWYYWABP-JOCHJYFZSA-N 441.499 4.857 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862673275 LGSRLAYPLPTRNL-QFIPXVFZSA-N 437.417 4.925 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)c1 1862703297 TVDJIRSAFZCPKM-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(CC)cc3)C2=O)cc1 1862828272 FGAZDCFSZIDFKM-UHFFFAOYSA-N 437.499 4.916 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863463138 XWJOOWBUGRGIIE-UHFFFAOYSA-N 439.490 4.749 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(C(C)C)cc1 1865150823 PYNKIMLWUYKFGG-QFIPXVFZSA-N 434.584 4.620 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1cccc(C#N)c1 1866643992 SZDWEXCWCVDVQS-JOCHJYFZSA-N 444.535 4.686 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1 1868713175 MPGDSEIJVJXHBM-DEOSSOPVSA-N 440.534 4.972 30 10 IJEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CSc1ncccn1 1870237173 CFWZEQNSBHUKHB-UHFFFAOYSA-N 433.618 4.833 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 1871346838 BHEFUHMBQOUUEW-CFRMEGHHSA-N 430.479 4.860 30 10 IJEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(C1CCC2(CC1)OCCO2)C3 1871348169 VYJWDIIZGFUVTN-UCQKPKSFSA-N 447.531 4.757 30 10 IJEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871381046 KUPGDVWROJNOFO-ONFJSNPYSA-N 431.375 4.969 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)c(OC)c1 1871385649 FWFYSTCMYHBYFP-OYKKKHCWSA-N 430.456 4.858 30 10 IJEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871391322 XRCGSHLZZMRYII-HMAPJEAMSA-N 443.455 4.787 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871581213 XLORNMBAPWCUIU-UHFFFAOYSA-N 426.584 4.857 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871775693 GEUWOOSAFPELIC-JPYJTQIMSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871853439 VMUMLVBOGNMMFQ-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872108177 ZEYKNKAKLHBCHR-LAUBAEHRSA-N 434.627 4.931 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1872604713 BEYWIBQGEUBNAL-NRFANRHFSA-N 437.005 4.836 30 10 IJEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1Cl 1872774393 PPQYJSIWXYCZIA-INIZCTEOSA-N 440.908 4.798 30 10 IJEE C[C@@H]1CN(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C[C@@H](C)O1 1872800811 WKGBZXTZNSYTHS-DBXWQHBBSA-N 431.561 4.763 30 10 IJEE Cc1nc(C2=C(N)N(c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)sc1C 1873529378 DCKNEFDJECWMIE-UHFFFAOYSA-N 425.941 4.709 30 10 IJEE CCCOc1ccccc1/C=N/n1c(COc2cc(F)ccc2F)nnc1SCC 1874261833 UVABZFVWOPKPQC-ZMOGYAJESA-N 432.496 4.918 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1C 1874322903 NROFZFCEIZDRAJ-MFKUBSTISA-N 438.597 4.738 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc2ccccc12 1874427338 DMVXDCSESDAMCJ-WGOQTCKBSA-N 429.549 4.599 30 10 IJEE CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874465170 WEKSNYUNEYSORS-BUVRLJJBSA-N 448.504 4.760 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(F)c1 1874481757 MEEWRAXFPLAZDS-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CCCSc1nnc(COC)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874502718 WDZYAIXTMWBTON-BUVRLJJBSA-N 440.569 4.787 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cc(Cl)ccc1O 1874511537 CYNXITBIVBMQEH-AUEPDCJTSA-N 447.923 4.513 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccco2)cc1Cl 1874591105 SGHUZPHZBBGOMC-CSKARUKUSA-N 425.868 4.533 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 1874627546 PGARKGAONUZOFI-UXBLZVDNSA-N 431.479 4.897 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1OC 1875103858 SVVBSNYXNWCGEU-FMIVXFBMSA-N 448.471 4.836 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)COc1ccccc1 1875157978 YTMGKUSMARPUAL-MDWZMJQESA-N 436.435 4.723 30 10 IJEE C=CCn1c(C(=O)N2CCCCCC2)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1875227929 RDINJKOWOHNEMY-UHFFFAOYSA-N 442.567 4.769 30 10 IJEE C=CC1(NCc2cc(Br)ccc2OCCC)CN(C(=O)OC(C)(C)C)C1 1884980020 NJYHKELGNIXFCM-UHFFFAOYSA-N 425.367 4.503 30 10 IJEE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C1(C#N)CC(=O)C1 1951495833 KXVWFOZWGRUBRR-UHFFFAOYSA-N 444.123 4.683 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2060621849 SDYUIVPCWOWEGB-UHFFFAOYSA-N 430.354 4.506 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1C 2079004926 FLUILBCXRYCOJK-RNDVCUHJSA-N 425.314 4.819 30 10 IJEE CC[C@H](c1ccc(C)c(F)c1)n1nc(C(F)F)c(/C=N/O)c1I 2079021925 JHWVGNMVHUIYLQ-WCRSTISQSA-N 437.203 4.680 30 10 IJEE Nc1c2c(nc3c(-c4ccc(F)cc4C(F)(F)F)c(C(F)(F)F)nn13)CCSC2 2081394461 LUFHPLWWEDPKKZ-UHFFFAOYSA-N 436.356 4.945 30 10 IJEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2118191682 HZSXMWXMVOELOP-QWHCGFSZSA-N 426.330 4.589 30 10 IJEE N#C[C@]1(Nc2cccc(Br)c2)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156280768 UJTYEMUUHCVDGR-FCHUYYIVSA-N 426.358 4.578 30 10 IJEE N#Cc1c(Br)cccc1N[C@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156295217 GOSKAQCSJCQOLS-GCJKJVERSA-N 426.358 4.556 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)cc1Br 2156353226 ZEQBUDDMJOMGIP-FQEVSTJZSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)NCCOc1cccc(Nc2cc(Br)cc(C#N)c2)c1 2162422218 LJULDRNBYHKEEE-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE N#Cc1c(F)cc(Br)cc1Nc1cccc2c1CCN2C(=O)C(F)(F)F 2163691405 GXCJSYQOMKKXAF-UHFFFAOYSA-N 428.183 4.655 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cnc2C#N)[C@H]2CCCC[C@@H]21 2179397934 KNWWLLHDMZRTIR-JOQOYGCGSA-N 435.366 4.553 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 2180926621 ANFPUHZMQCXGTR-KRWDZBQOSA-N 435.362 4.524 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCCC1 2181113240 WIJMDLOBAPLGPF-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(Br)cc2C#N)N(C(=O)OC(C)(C)C)C1 2181145787 BYSOCXANGKWVEN-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)s1 2229367455 CACDQHVDDOMLDQ-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2235745714 DZINGPJKRXLULR-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](F)[C@@H](C)CNC(=O)OC(C)(C)C 2235749184 HTHNWZIGOIYWLJ-IPELMVKDSA-N 441.385 4.668 30 10 IJEE CN[C@H](C#Cc1ccc(C)cc1)c1ccc(I)c(Br)c1 2239630272 APPPPLYXQATCDP-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2249358271 VVJQWHSRJKNDRQ-JVSBHGNQSA-N 437.625 4.519 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1F)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255266775 BKKVDYWKADIBEG-ZEQRLZLVSA-N 440.559 4.656 30 10 IJEE CC1(C)OB(C2CC(C(=O)N[C@@H]3CCN(Cc4ccccc4)C4(CCC4)C3)C2)OC1(C)C 2267576985 PACHDKPWBDBOJN-LZBANZJXSA-N 438.421 4.562 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296216726 NCJHYCCPNPHKAJ-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296267893 YDGYUEOQNHRMTA-FFGOWVMKSA-N 433.390 4.567 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCC[C@H]2N1C(=O)OC(C)(C)C 2296280832 DWMQPWYDJCTVCM-AFYVEPGGSA-N 433.390 4.567 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296290532 DOVPUPPCBSBJFC-QZNYNHHHSA-N 433.390 4.567 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2296297935 DXAHYQIOKIQDRX-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2296308282 FXWIVZZMTBPPLR-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300396388 KFEGEZMBLWPALW-OZXSUGGESA-N 426.601 4.612 30 10 IJEE C=CCN(Cc1ccccc1)C1(C(=O)O)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 2305323734 XPZCKBBQHXRBFP-UHFFFAOYSA-N 428.573 4.699 30 10 IJEE CN(C)c1ccc(C=C2SC(=NN=Cc3cccs3)N(Cc3ccco3)C2=O)cc1 2314819379 ZHBDBTOGEBCNEL-UHFFFAOYSA-N 436.562 4.914 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)C1 2321284715 IHRMTCQXWXFJLS-YADARESESA-N 445.560 4.655 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccs2)C3=O)cc1OC 2323378977 SWKYYNMGXHZJTI-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE CCc1ccc(C(=O)C=Cc2cc(OC)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 2323461829 YSVLXIBEXPSIAD-UHFFFAOYSA-N 426.509 4.740 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(OC)c1OC)C2=O 2325044926 HTDJGLIFXPDEMA-UHFFFAOYSA-N 440.492 4.741 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325740161 UTCSBUJIZQDCLM-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1ccc(OC)cc1 2326467932 XSIPQYSTEXMNND-UHFFFAOYSA-N 436.537 4.591 30 10 IJEE CCCOc1ccccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCCO 2327797114 LOTYOZRQBHTOCG-UHFFFAOYSA-N 446.576 4.778 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)NCCC)nnc2C2CCCC2)cc1 2331051215 IRGHLFDOASLHCF-UHFFFAOYSA-N 443.617 4.615 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2cccc(F)c2)c(OC)c1 2331056775 AAQGEPFDIBGCJJ-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccc(OC)cc3)cc2)cc1 2331189887 RQIQEQWIUWRHQN-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)c1 2331293627 JBHGEZJDCZMCJA-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccccc1O 2331322716 IMLJPOZDTNIMMA-UHFFFAOYSA-N 437.569 4.502 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2)cc1C 2331430483 ZMCDXDBROJNLQH-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331661550 FEMBIKZACJSRKU-UHFFFAOYSA-N 429.373 4.711 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@@H](N)C#Cc1cccc(Br)c1 2363395092 YPPZUHRSIWHBHP-OALUTQOASA-N 435.406 4.944 30 10 IJEE Cc1cc(CN[C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369692490 PSZYNOGNVFNXES-XMMPIXPASA-N 448.460 4.827 30 10 IJEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OCC 9697405 QUYZMIZEXWCCBH-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccc([N+](=O)[O-])c1 10480683 RFZOQITUDLZTFO-UHFFFAOYSA-N 447.879 4.563 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(CC)CC)cc1)N2 20697099 UIZAOZGOVAMMNK-RQTOMXEWSA-N 437.609 4.824 30 10 IJEE N#Cc1nc(/C=C\c2ccccc2)oc1N1CCN(C(=O)Cc2cccc3ccccc23)CC1 33248469 MOAPEWKZSPHTOX-YPKPFQOOSA-N 448.526 4.761 30 10 IJEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1scc(-c2ccc(C(C)C)cc2)c1C(=O)OCC 71555298 URAQIOPFFOYXJA-OAHLLOKOSA-N 449.594 4.643 30 10 IJEE C#CCOc1c(Cl)cc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)cc1OC 72237667 IGOGTALATHXROB-DHDCSXOGSA-N 426.925 4.693 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1cc(Cl)c(O)c(Cl)c1 100195006 RPVMGMKAQONJQR-GUYLDNPGSA-N 438.336 4.679 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 102569772 ZCWAEYIXJAXSEZ-LCPUNJGISA-N 447.362 4.757 30 10 IJEE Cc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1F 103133625 CSXYCHSCZYMJPA-YBFXNURJSA-N 446.500 4.821 30 10 IJEE COc1ccc(-c2cc(=O)[nH]c(N/N=C\c3ccccc3OCc3ccc(C)cc3)n2)cc1 169897138 OCTCYFIWPGLSDT-YUMHPJSZSA-N 440.503 4.779 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccc(C)c2)cc1 169970589 SDHGMBWQDUVBBS-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(OCC)c1 169974458 AYUISPQLJNFBIR-OAQYLSRUSA-N 427.472 4.699 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccs2)cc1 169987470 NTJOXCXZDCTATO-LJQANCHMSA-N 441.892 4.899 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccc(O)c1 170080498 FALXQSBAPPKLCC-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3cccs3)ccc2O1 170154462 QFDHAXFFWQFNKK-RBZFPXEDSA-N 437.542 4.912 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)s1 170237525 FCBOPYATAQDMHF-QGZVFWFLSA-N 428.510 4.739 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(C)o2)c(C)c1 170304909 SXNVWDCMTRORQC-JOCHJYFZSA-N 431.444 4.716 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCCOC(C)C)o1 170310452 MFNCZNAZRXEXCY-JOCHJYFZSA-N 441.524 4.769 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2CCC)c1 170324412 PSXTZQVOBHHIGQ-OAQYLSRUSA-N 441.911 4.902 30 10 IJEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cccc(OC(C)C)c2)c1 170432059 GMZCBWNRXATVGW-DEOSSOPVSA-N 437.536 4.993 30 10 IJEE COc1ccc(Nc2nc(NN=Cc3cccc(O)c3)nc(Nc3ccccc3)n2)cc1 252596567 CKOMBVUPZYNXNH-UHFFFAOYSA-N 427.468 4.519 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 460960403 RMFBYRLYSHFBPM-OAHLLOKOSA-N 441.942 4.624 30 10 IJEE C=CCN(C(=O)CC1(CC(=O)OC)CCCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 467853869 JLFZIOCEFYLWAB-UHFFFAOYSA-N 443.525 4.751 30 10 IJEE Cn1c(=O)ccc2ccc(NC(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc21 488478745 LWVNWSKGXLFVFC-UHFFFAOYSA-N 428.423 4.986 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)CSCc1ccc(Br)cc1F 499055919 YPYWRAJLHJYUNC-UHFFFAOYSA-N 433.346 4.908 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2CN2CCC(C)(C#N)CC2)cc1OC 507699086 QMBLOFYJDQCWPQ-UHFFFAOYSA-N 430.552 4.741 30 10 IJEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508931200 GWBORNFHDKHCSE-GOSISDBHSA-N 439.585 4.591 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)cc2OC)cc1 526515407 KCCFGOFSYYVQAL-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCN(C(=O)c1c(F)cccc1I)c1ccc(C#N)c(Cl)c1 540273774 VDJFMFYQXMQAFH-UHFFFAOYSA-N 428.632 4.622 30 10 IJEE C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 559027295 AKFXMKKAOQZLFE-IBGZPJMESA-N 446.599 4.509 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C2CCOCC2)CC1 573936132 MJPTUVOKJMMPBS-UHFFFAOYSA-N 449.368 4.676 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)nc1 585353548 ZYJACPMORHJZHJ-UHFFFAOYSA-N 438.487 4.881 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(CCC2=CCCCC2)Cc2cccc(C#N)c2)c1 586141122 WJNUGUATJUYAGM-UHFFFAOYSA-N 440.565 4.657 30 10 IJEE C=CCCCN(C)C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 605645028 OXJLEGPEVYWHRA-UHFFFAOYSA-N 440.775 4.997 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)cn2)cc1 609137239 BIOXKFZAISXHPK-NRFANRHFSA-N 433.556 4.865 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccnc(Oc3ccccc3Br)c2)c(F)c1 610328751 QRFKQVKKYWCKIM-UHFFFAOYSA-N 441.260 4.969 30 10 IJEE C#CCCCCC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686823226 APFBYHYAXYFLSY-HSZRJFAPSA-N 427.633 4.847 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)c1ccc(Br)cc1F 698379859 OJSBBVRUALXSKQ-FQEVSTJZSA-N 442.373 4.906 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)[C@H]1CCOc2ccc(Br)cc21 733112784 RVSUYFIXWDLDAG-ZVDOUQERSA-N 440.337 4.547 30 10 IJEE Cc1ccccc1CN(CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc2nc(O)[nH]c2c1 744407304 UEPCOTDNJNWWQG-UHFFFAOYSA-N 445.910 4.747 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)cc1 774571479 UFOBHBHBVKBHQY-INIZCTEOSA-N 447.457 4.557 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)N[C@@H]1CCCC[C@@H]1C)=C(/O)c1ccc(C#N)cc1 777512584 GSNPTZHJXLQOIP-KBXCAEBGSA-O 442.992 4.893 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 790884844 SGIBDUXICUZLPB-YOSAUDMPSA-N 432.536 4.508 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@@H](C#N)c1cnc3ccccc3n1)C2 802812529 CUWMQUDCAIAEFK-VZHRSGBHSA-N 434.540 4.526 30 10 IJEE COC(=O)c1c(F)ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1F 810337639 HEHBPKZJZCEUHG-UHFFFAOYSA-N 427.432 4.673 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccccc1SC(C)C 923846304 AHCCSKJXSXHSSD-KRWDZBQOSA-N 426.538 4.688 30 10 IJEE C#CC[C@]1(C(=O)N(C)Cc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1124852945 JTQJBGALGXBGEB-OAQYLSRUSA-N 425.356 4.745 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 1125699212 UIXQLABDYYWUFO-HXUWFJFHSA-N 439.350 4.742 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nc(NCc3ccco3)ncc2Cl)C(F)(F)F)cc1 1128867697 ZJTBRXVYJTYAHN-KRWDZBQOSA-N 435.789 4.777 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F 1131400418 AEKJPAOENSBCNE-UHFFFAOYSA-N 436.812 4.907 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](c2ccccn2)C2CC2)nnc1-c1ccc(Cl)cc1 1133949618 NGJOLBFJBWWDBJ-FQEVSTJZSA-N 439.972 4.539 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccccc1 1134654932 RWANVSIEQOJPLU-GDLZYMKVSA-N 425.579 4.752 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)C[C@@]1(CC)OCCc2c1[nH]c1c(CC)cccc21 1141302778 SDMLMSSGNFHBFI-HHHXNRCGSA-N 445.563 4.853 30 10 IJEE C[C@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H]1CNC(=O)OC(C)(C)C 1141802852 GDBKLECPUYCKJK-RXVVDRJESA-N 448.567 4.925 30 10 IJEE C=CC[C@@]1(C(=O)NCC2(c3ccccc3OC)CCC2)CCCN1C(=O)OC(C)(C)C 1153880460 FZNYJLSPKLSZJQ-VWLOTQADSA-N 428.573 4.579 30 10 IJEE C=CCn1c(SCC[S@@](=O)C(F)(F)F)nc2cc(-c3ccccc3)sc2c1=O 1165302945 GKFFWXPEPCSUDH-MUUNZHRXSA-N 444.525 4.672 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2c3ccccc3C[C@H]2C)cc1OC 1177515309 MIBGKQGOGMTQJB-MRXNPFEDSA-N 431.374 4.563 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](C)Oc3cccc(Br)c3)cc21 1209768405 WATORJYKXYREEB-CQSZACIVSA-N 429.318 4.574 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)cc1Oc1ccc(C)cc1)[C@H]1CCCO1 1219570778 WQEHXRWXFGYHNV-IEBWSBKVSA-N 429.314 4.852 30 10 IJEE C#C[C@@H](NC(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccc(Br)cc1 1222260670 OOJCGSRHOIOEEJ-HXUWFJFHSA-N 429.358 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 1227480091 QAQOEPSJZUONFN-UZLBHIALSA-N 427.372 4.775 30 10 IJEE C[C@H]1CN(c2cc(F)cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)C[C@@H](C)O1 1277961552 FFRJJFOFPZTAHD-CALCHBBNSA-N 449.482 4.735 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1nccs1 1286279213 KKOZTPUHUZFFEM-CVEARBPZSA-N 425.627 4.994 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc([C@H](C)O)cc1 1286279275 LIVHVXCOSZBMNB-MSOLQXFVSA-N 434.609 4.835 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ncc(CC)s1 1286320863 IDMDBXVFYVHWOL-UHFFFAOYSA-N 445.596 4.590 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)N1CCCCC1 1286401130 JSVRZPAQYOLQAR-UHFFFAOYSA-N 449.668 4.613 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC(Cl)=C(Cl)C1 1286499806 OXUQWOJMTKPYPL-UHFFFAOYSA-N 444.391 4.759 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 1286556609 DYFNZPKUCDFACM-HYBUGGRVSA-N 438.616 4.728 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(F)(F)F)CC1 1286604162 GRMOOCFVXANVDK-UHFFFAOYSA-N 438.494 4.715 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1286640155 GRWXQTTVTVYORW-UYAOXDASSA-N 429.996 4.991 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286771433 QIPZZYDOZYPMQM-JOCHJYFZSA-N 437.632 4.868 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2CC)C1 1286813793 CAXCJJXVFOTPFS-DNVJHFABSA-N 438.616 4.589 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1286827277 JEWHGYKBCIFONW-OKILXGFUSA-N 439.398 4.858 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 1293501999 FCICNQJPSWMKDU-UKPGIYTDSA-N 446.613 4.513 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](C)C2)ccc1Cl 1295083139 XXLTZOCLECEMCP-ROUUACIJSA-N 447.000 4.839 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1cccs1 1296468933 GMKHYVJXZZMAMP-KRWDZBQOSA-N 439.585 4.803 30 10 IJEE C=CCCCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1296818615 MAOQXDYTLFTXBH-UHFFFAOYSA-N 426.460 4.592 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CCC(C)C)c3ccc(OC)cc3)ccc2c1=O 1297466509 JZEQZIVNCYCXET-UHFFFAOYSA-N 437.565 4.573 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C1CCC(C)CC1 1300402898 FEFBNMHPAAVEFV-UHFFFAOYSA-N 446.599 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)Cc1cccs1 1300572185 QVRYUGRJHXREJJ-FQEVSTJZSA-N 439.588 4.897 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCOC[C@@H]1C 1300602959 LYPWMRGTMHBZNW-JKSUJKDBSA-N 428.989 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCC1 1301149085 WFINOQAZHVXTMY-UHFFFAOYSA-N 431.625 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(CC)CC)CC1 1301154690 ZQEVEBQEMQPXMC-UHFFFAOYSA-N 427.612 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2F)CC1 1301155349 MXTHOZBXCUNWAX-UHFFFAOYSA-N 448.590 4.526 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1301246991 ZZXCUZTYDIXPAB-CALCHBBNSA-N 449.368 4.532 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1301249363 SDZKRINQDJAMQA-GOSISDBHSA-N 425.602 4.741 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1301269520 QMYGSWUXQNRENW-FGTMMUONSA-N 435.362 4.725 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1C[C@@H](F)c1ccc(Br)cc1)C1CC1 1301323351 JCGBUZPGACPZGS-GOSISDBHSA-N 442.336 4.968 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1301340584 JHOMPOZHPWJVJX-BKMJKUGQSA-N 444.583 4.696 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCCCO1 1301399534 PPVSHKLGPWXSIH-HSZRJFAPSA-N 431.584 4.843 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1301415407 TZLOZHQCHKXRJT-CTNGQTDRSA-N 432.996 4.689 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2cccs2)C1 1301566192 LFKRONHKYANHJE-SFHVURJKSA-N 428.627 4.751 30 10 IJEE O=S(=O)(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1C[C@@H]1c1cccc(F)c1 1309393143 DPPXNHQYRGFWCI-FVQBIDKESA-N 441.368 4.923 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](CCOC)c2cccc(C(F)(F)F)c2)cc1 1309499045 JMMBRENVQFTJOB-HXUWFJFHSA-N 427.488 4.880 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)NCc3cnc(-c4ccccc4)s3)CC2)c(F)c1 1324447055 TYVFAPYQFFNCOD-UHFFFAOYSA-N 436.512 4.574 30 10 IJEE CC[C@]1(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN(C(=O)OC(C)(C)C)C1 1352077271 HFKWFWDHIYQTHK-QHCPKHFHSA-N 440.569 4.581 30 10 IJEE COc1ccc(N(Cc2ccccc2)C(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1OC 1353497078 GTILAEQKPDHGBO-UHFFFAOYSA-N 438.487 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC[C@@H](C)C1 1358875632 TYAXOKIXCWQAGW-MOPGFXCFSA-N 448.640 4.567 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@@H]1C(C)C 1358940135 OOLRKBXMMKJOSC-WOJBJXKFSA-N 435.597 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@](C)(O)c1ccccc1 1359003163 AOQYKQFNWIORGU-SIBVEZHUSA-N 448.636 4.889 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(F)(F)F)c1 1359070205 HVHGFFSJDRRBEL-DENIHFKCSA-N 448.489 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H](C1CCCCC1)N(C)C 1359072438 CYGHZLQSUUVHBE-LBNVMWSVSA-N 447.671 4.956 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cc(C)nn1C 1359108569 SZETXOGTEKOYOA-UHFFFAOYSA-N 443.599 4.845 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2Cc2cc(Br)ccc2OC)CC1 1359178192 KUWOWQXNJOSZJU-UHFFFAOYSA-N 431.378 4.767 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1359193973 MLKRIPFEGSMECZ-GMAHTHKFSA-N 447.583 4.511 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](OC)C1)c1ccccc1 1359195913 UGPTXEKCYTXWBS-MYDTUXCISA-N 438.616 4.782 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC(F)F 1359211498 GBWIFQYMCGQCOG-UHFFFAOYSA-N 429.309 4.774 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1359212858 ABPKTDANYGQMCQ-FQEVSTJZSA-N 448.615 4.536 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC(F)(F)C1 1359235382 XNJNFAMUZPQIRU-GFCCVEGCSA-N 429.284 4.904 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=C)Br 1359244677 MKGKFFBFDUCZFV-UHFFFAOYSA-N 432.149 4.695 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1359261227 AOPOXLNVTGSURF-JPYJTQIMSA-N 430.618 4.558 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(C)s1 1359279476 IEUWEJDLSVLFNJ-UHFFFAOYSA-N 432.977 4.664 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1359284111 QWIVRECRXRMDFN-IRXDYDNUSA-N 437.357 4.673 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccoc2C)cc1 1359307094 AHEIPPFGYBGXCN-UHFFFAOYSA-N 429.524 4.799 30 10 IJEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1CC1CCN(Cc2ccccc2)CC1 1359804555 CPILCSORZZAZLV-UHFFFAOYSA-N 434.632 4.519 30 10 IJEE C#CCN(C(=O)c1cccc2cc(O)ccc12)[C@H]1CCOc2ccc(Br)cc21 1444123109 PCGSBWQOYWFWBE-NRFANRHFSA-N 436.305 4.907 30 10 IJEE C[C@H]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CN1Cc1ccccc1 1445780600 BBPZAQBGUFCUHL-NBGIEHNGSA-N 425.532 4.530 30 10 IJEE C#C[C@@H](NC(=O)CCc1c(C)nn(COCC[Si](C)(C)C)c1C)c1ccc(Cl)cc1 1450840749 GNOYDHJQTGHCOZ-JOCHJYFZSA-N 446.067 4.889 30 10 IJEE CC(=O)N(c1nc(CN(C)CCc2cccc(C#N)c2)cs1)c1ccc(F)cc1F 1462517326 GLAZDSRHTYJYEM-UHFFFAOYSA-N 426.492 4.652 30 10 IJEE C#CCC1(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CCOCC1 1462837128 BCIHJCSELNPPKR-UHFFFAOYSA-N 430.913 4.702 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 1464884551 RMQDQPOBGOUXTG-INIZCTEOSA-N 428.360 4.915 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc1 1465398512 AMMYTFHZKHEYCL-LEWJYISDSA-N 425.573 4.749 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1 1469491586 PESXOLVCXBFSOD-MJGOQNOKSA-N 449.448 4.957 30 10 IJEE C=CCn1c(SCC(=O)NCCC(C)(C)C)nc2scc(-c3ccccc3)c2c1=O 1472931004 CWQZXJPGLXYQAN-UHFFFAOYSA-N 441.622 4.956 30 10 IJEE C=C1CN(C(=O)Nc2cc(-c3ccc(Br)o3)nn2-c2cc(C)cc(C)c2)C1 1476334082 UDQOHXFROLQQTI-UHFFFAOYSA-N 427.302 4.915 30 10 IJEE C#CCOCCNC(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 1478294228 JQCVFJDBJHYIFP-UHFFFAOYSA-N 425.287 4.716 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](c2ccco2)N2CCCC2)cc1 1497828728 FFVTXEOHYVAUMK-KNQAVFIVSA-N 432.572 4.676 30 10 IJEE CCN(CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CC#N)C(=O)OC(C)(C)C 1502190974 BMJFQTBBCKMNSH-INIZCTEOSA-N 446.983 4.594 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1507565333 CCKRNIVACZRBMY-HSZRJFAPSA-N 448.640 4.543 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@@H]1CC 1507644768 NKIQTKFTKSJATE-QFIPXVFZSA-N 449.668 4.613 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1507663579 FYPFCXVVPCOYBA-YGZVCBRSSA-N 444.623 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)[C@H]1CC 1507804661 LORMEBALQWGBHV-XQLZULMXSA-N 430.543 4.753 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@](C)(O)CCOC)CC1 1507881158 PPBDCOYPMYWIPD-QFIPXVFZSA-N 447.004 4.757 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1507909932 XZSDTNBUOSJLFE-QFIPXVFZSA-N 425.646 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cscn1 1507910413 REGOQVQPVORNNI-UHFFFAOYSA-N 438.601 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1507922852 HYQFBWXFWOGGKO-RBUKOAKNSA-N 431.650 4.876 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1507958603 GLMZWKWCHDZDIC-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCC2(CCCCC2)O1 1507985954 FWBAAKSSOCWXKC-FQEVSTJZSA-N 440.588 4.760 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)C1 1512098500 FCMXKYCPHFZNFP-NYQDVAGCSA-N 435.597 4.801 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 1521760842 DOQVWFKIJHQPGA-PKHIPVCBSA-N 444.572 4.569 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)Oc2ccc(Br)cc2)cc1OC 1523562032 CMRKQRQCFFJBQV-JCSUNJAGSA-N 446.341 4.619 30 10 IJEE Cc1c(C(=O)Nc2ccc(Br)c(C#N)n2)oc2ccc(Br)cc12 1537238064 CRVHHRNOLPTPSI-UHFFFAOYSA-N 435.075 4.785 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1C 1539084640 ATZBYDZCVWQRET-FYYLOGMGSA-N 438.616 4.824 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H](c1cccs1)N(C)C 1539392944 XHYXMVLXFODULY-OAQYLSRUSA-N 439.604 4.620 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC(C)(C)C 1539639692 AZVJAFDGEGZGJD-OFNKIYASSA-N 426.605 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1COCCO1 1539650836 WLWMEIDKBAHWRJ-QUCCMNQESA-N 448.995 4.506 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@@H](C)C1 1539660034 QEMIXJAMBXXZOA-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(COC(C)(C)C)c2)CC1 1539853924 GZVNSAGTEFBEDF-UHFFFAOYSA-N 448.615 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 1540119855 LKTDALKZWYZXGP-GMAHTHKFSA-N 442.600 4.587 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[C@H](O)C1 1540174243 JQCXSJNTIICBNG-IRLDBZIGSA-N 438.616 4.884 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCCC1 1541106954 DBKUHAJGSKVJEE-LJQANCHMSA-N 440.661 4.747 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CCCN1C(=O)OC(C)(C)C 1544357521 KRBUAJIDAQBOGJ-JOCHJYFZSA-N 430.936 4.810 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](C)[C@@H]3c3ccc(C)cc3)ccc2c1=O 1544500966 FNQQKQMZJKBIOZ-VGOFRKELSA-N 433.577 4.793 30 10 IJEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCC(F)(F)C2)cc1 1554891747 CHJGFYJHPWAPIJ-HXUWFJFHSA-N 443.542 4.637 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1OC)c1ccc(F)c(F)c1 1561487855 TWUSJZSOJRMNQS-SFHVURJKSA-N 446.313 4.640 30 10 IJEE CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1562705622 FXKRUWNEBZBSEP-UHFFFAOYSA-N 443.429 4.943 30 10 IJEE Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@H]1C(=O)O[C@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]21 1565537976 FLCVPFHJPVPDPQ-VBAUNZEHSA-N 448.607 4.970 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3c(F)ccc(Cl)c32)nnc1-c1ccco1 1584455310 UYYZMHROCNTLDY-UHFFFAOYSA-N 446.935 4.978 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(COC)CCC1 1587567589 HWQKKZPYIQCTFI-IBGZPJMESA-N 431.584 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cccc(C(F)(F)F)n1 1587676983 AARVJQQYBRKLKN-INIZCTEOSA-N 445.514 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1C1CC1 1587677082 BWWFSDBHZCXRMI-PXNSSMCTSA-N 444.048 4.699 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1587759079 NREFHOHQESTWNK-GPXOXTDOSA-N 449.643 4.813 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C1CCC1 1587856777 RHOJTIXTLWUEPX-NHCUHLMSSA-N 441.620 4.575 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](c1ccsc1)N(C)C 1587915738 QNSZQQNZTDXVOD-JXFKEZNVSA-N 444.004 4.505 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1nc(C)c(C)s1 1588099674 VNNVDXLOTLXDLR-INIZCTEOSA-N 449.649 4.520 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1589347017 CAAGSGNKGKDWPF-ZDUSSCGKSA-N 436.785 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1594491541 DFYBXNCPSSXYCK-UHFFFAOYSA-N 439.579 4.640 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@H]1C[C@H](c2ccccc2F)C1 1594559663 PPKYMSHGWHAZKY-WFXMLNOXSA-N 425.552 4.670 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C(C)C)C1 1594797552 CDIRWKFGYXZGAZ-KRWDZBQOSA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CCCS1 1595120367 SKFMSEVQBPYAGT-DEOSSOPVSA-N 436.629 4.618 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2ccsc2)C1 1595701252 ZJUPXFBOFGSIER-KRWDZBQOSA-N 432.952 4.823 30 10 IJEE C=CCSCCn1c(N2CCCC[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595905291 GLNPUKMJDVJNNY-GBESFXJTSA-N 449.665 4.594 30 10 IJEE N#Cc1ccc(NC(=O)CCN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1Cl 1620472969 HZSZOMJSNPATIB-SFHVURJKSA-N 426.731 4.560 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1625569858 GSGSRKKFJZKODQ-NJYVYQBISA-N 444.959 4.613 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)cc(OC)c1OC 1625993456 IYOZHFWBXQVLER-UHFFFAOYSA-N 440.540 4.734 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 1626376931 GXRRAFHHAFRUJK-IEBWSBKVSA-N 446.979 4.663 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)cc1OC 1627595484 RDKZBVLUZQCMQI-ACCUITESSA-N 444.572 4.617 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(Nc2ccn(C)n2)cc1 1629602048 ZROOARCZNRRPQV-UHFFFAOYSA-N 427.302 4.743 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl 1634843672 YYAGNIHHYXUTRN-MRXNPFEDSA-N 430.291 4.607 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@]1(C)CCCO1 1635633615 WGAQJJUGAXUXOA-SHQCIBLASA-N 448.563 4.545 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(Br)cn2)s1 1639885416 COYXLNFPBJYTOV-JTQLQIEISA-N 446.823 4.874 30 10 IJEE C=CCn1c(SCC[C@@](C#N)(C(C)=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 1640686411 RUIBHEFWCDRNRU-XMMPIXPASA-N 449.601 4.665 30 10 IJEE C#C[C@@H](Nc1ncc([N+](=O)[O-])c(C)c1Br)c1ccc(Br)cc1 1642727823 LSEAIBJGEMTAEE-GFCCVEGCSA-N 425.080 4.610 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCCC(=O)Nc1cc(F)ccc1C 1643492167 YOYFOZRXFKYKCB-UHFFFAOYSA-N 444.507 4.751 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1648409352 GRKWJHRGLJSGSH-HNNXBMFYSA-N 439.364 4.893 30 10 IJEE C=CCn1c(SCc2ccoc2C(=O)OC)nc2cc(-c3ccccc3)sc2c1=O 1651694008 OTFJYBHQAORVEL-UHFFFAOYSA-N 438.530 4.983 30 10 IJEE CCN(CC)C[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C1 1652591664 HGTAXDGJJRPNFE-MOPGFXCFSA-N 444.689 4.763 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)s1 1654439277 CRZGCFDGKKVPAO-UHFFFAOYSA-N 427.511 4.738 30 10 IJEE C=CCOc1c(Br)cc(CNCc2nc(C)c3ccccc3n2)cc1OCC 1655491552 CCDMSBPAMCYYSZ-UHFFFAOYSA-N 442.357 4.954 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1OC 1657705412 DKTKOOKTUXGKDG-HXUWFJFHSA-N 429.866 4.930 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 1659086510 DIDSGGQDFINCRO-UHFFFAOYSA-N 429.929 4.628 30 10 IJEE C#CCN(Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCOc2ccc(Br)cc21 1659177348 GNOUIJBDHMBAGJ-RDTXWAMCSA-N 431.399 4.989 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(/C=C/c2ccco2)s1)c1ccc(Br)cc1 1663571670 YYXIUXJPGOMIEQ-BOLDSZDNSA-N 429.299 4.560 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 1667018292 FRVYFOYZVWDCAD-LZQZEXGQSA-N 444.601 4.896 30 10 IJEE Cc1c(S(=O)(=O)N2CCC(CCc3ccc(O)cc3)CC2)sc2ccc(C#N)cc12 1667484620 FHHULXACTOLFCG-UHFFFAOYSA-N 440.590 4.821 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1)c1ccc(Cl)cc1 1668490828 FQLLDFJFQBHARE-OAQYLSRUSA-N 440.906 4.949 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1 1669568185 AOCNWIOPGHGBCO-FQEVSTJZSA-N 444.535 4.851 30 10 IJEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1CCCc2ccccc21 1673082066 PWULLBIZWWBQMR-XMMPIXPASA-N 436.577 4.948 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CCC1 1674863557 ADFRIFLIOSSCCG-UHFFFAOYSA-N 441.535 4.922 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1)c1ccc(C(F)(F)F)cc1 1685820508 XOOLPSCCVLRBHB-GHTZIAJQSA-N 439.478 4.633 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC(F)(F)F 1689830776 CGZOSKHODQZRNH-MRXNPFEDSA-N 445.489 4.737 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(C)(F)F)c1 1690062645 XRCRGYHJYWDHKQ-UHFFFAOYSA-N 448.315 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(C)C 1690262633 IEUJKLQTIUUWAW-UHFFFAOYSA-N 436.604 4.760 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cccnc2OCCC)CC1 1690380058 AGWYGBXPTXVICF-UHFFFAOYSA-N 447.583 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCc2oncc2C1 1690437548 HPUDHBSJHHIMHB-UHFFFAOYSA-N 427.936 4.664 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nnc(C(C)(C)C)s1 1690518497 MCZNUVYNJCRVJG-UHFFFAOYSA-N 447.406 4.527 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@](C)(O)C1CCCCC1 1690554229 YLTPUSANLCJUMM-VWLOTQADSA-N 426.605 4.934 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CCN(C)C(=O)OC(C)(C)C 1690565903 WYRUMDINUXSCOY-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1Cc1ccnc(-n2cccn2)c1 1690567995 XBOWNAUYFLVBOD-IBGZPJMESA-N 445.546 4.752 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(OC(F)F)c1 1690575978 IZCHKMGFEQAYCE-UHFFFAOYSA-N 442.495 4.572 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1 1690733931 QVCFYZBXRKCGTG-NVXWUHKLSA-N 439.050 4.932 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)C1 1693629572 GHCHAHCFPXLNJJ-OFNKIYASSA-N 448.615 4.624 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(C)cs1 1705510873 AOAGTKSQVRRGDV-UHFFFAOYSA-N 446.418 4.856 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C)=C(Br)C1 1705543793 SVYLVPNOCYJNAZ-UHFFFAOYSA-N 443.389 4.766 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCC1(OC)CCC1 1705602197 LTKRVBCVUKUNNZ-UHFFFAOYSA-N 443.016 4.646 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1cccc(C)n1 1705606802 GBONFTFTKLEGSP-GOSISDBHSA-N 433.625 4.927 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(F)cc1 1705623314 NMLHSGPLNHQXKD-UHFFFAOYSA-N 438.572 4.549 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2CC[C@@H]21 1705654357 FUZSFSWWYGIXFS-KGLIPLIRSA-N 437.432 4.514 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)cc1 1705661625 GQMJWTDQZQMMDQ-UHFFFAOYSA-N 435.435 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1=CCCCC1 1705678365 YBBGDFSTLPJIGH-NBGIEHNGSA-N 439.604 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705698210 QXIBVKMESOMGIH-LBRNTXKHSA-N 438.616 4.662 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1705701742 CTYWUEPSPVNTAA-MGPUTAFESA-N 449.382 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccccc1 1705705411 HJWODWQPNGZZET-MONBJTKQSA-N 437.613 4.812 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)s1 1705724247 AHFLILGKGLCYJO-UHFFFAOYSA-N 448.596 4.647 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1705783238 YHWICUATHSTQQG-FNZWTVRRSA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705795569 MWIDGBOOEUSNOS-DOIPELPJSA-N 430.637 4.804 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(COC)CCOCC1 1705835967 ZNNGIGPPTDEQKO-UHFFFAOYSA-N 447.004 4.879 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1 1705864547 FOBRPETUKREFJD-PKOBYXMFSA-N 434.506 4.939 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(C(C)(C)O)cc1 1705865816 XTHAEBDZGYHKBV-UHFFFAOYSA-N 445.592 4.870 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](OC)C(C)C 1705870699 OHDCTIPFDUIETQ-SFHVURJKSA-N 437.357 4.696 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCc2ccccc2C1 1705874348 KWCJZOCNAMCCLN-HSZRJFAPSA-N 435.616 4.535 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(F)F)C1 1705913658 UOJNLVBICLOUBK-UYAOXDASSA-N 432.515 4.614 30 10 IJEE CC(C)c1csc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)n1 1706270461 DLOKZLJJXMPEMP-OAQYLSRUSA-N 444.967 4.592 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1722314419 NBYJGMFDEOQZSZ-QFIPXVFZSA-N 435.959 4.683 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC(F)(F)C1 1722422528 YABVCSVRDRFYDY-GOSISDBHSA-N 430.543 4.764 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1722488814 JPSCSYBFEIEOKQ-SFHVURJKSA-N 445.405 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722490704 CCBUUYIGZHKFJM-FCEWJHQRSA-N 437.009 4.676 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccsc1 1722496399 WWTNCIZCSCVCAT-UYAOXDASSA-N 439.541 4.532 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1722591499 NQVVJPJDYUFPSK-FCHUYYIVSA-N 426.605 4.990 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](OC)C(C)(C)C1 1722621280 QOEPRUYSDMZKPQ-GOSISDBHSA-N 439.387 4.991 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H]2C)C1 1722710832 OTMUCGAAAKUTSV-IMFGXOCKSA-N 445.405 4.925 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1Cc1ccc2c(n1)CCCC2 1723390583 HTMKIPMBJURYBJ-QHCPKHFHSA-N 436.604 4.608 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1726841977 FAKLHVPKHLCTDX-QYWGDWMGSA-N 436.025 4.617 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1740568893 UFSZMWBNQARDBA-HOCLYGCPSA-N 449.418 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@@H]1C(=C)C 1740665253 VGMYBMOJHBMCCG-HYBUGGRVSA-N 446.551 4.558 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@](C)(O)[C@@H](C)CC 1740678816 JGMXGSUGVJJOCZ-UQBPGWFLSA-N 426.580 4.587 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CC)C1 1740766560 IUFURIRCVMAZJP-YDHSSHFGSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CSCCS1 1740770531 VRIKLKQMWGEPSL-INIZCTEOSA-N 439.050 4.858 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCCC[C@@H]2C)CC1 1740826478 MEBOXGRNJQHQIR-FQEVSTJZSA-N 443.586 4.958 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCCN2CCCC)CC1 1740829245 PTXAQHQARLKXHL-HSZRJFAPSA-N 437.632 4.977 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1740860980 XDMKXXIZMQFIRC-UHFFFAOYSA-N 449.946 4.635 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C1CCCCC1)N(C)C 1740903799 LUGNRGYVAOWCNK-QFIPXVFZSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1740916536 QCOMWKRGKNHWBB-QFIPXVFZSA-N 443.599 4.705 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1=CCCOC1 1740926294 YMCXWCNKKJDUFZ-UHFFFAOYSA-N 433.581 4.902 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@H](C)C1 1740939846 JQKUSXDODDVHLH-DLBZAZTESA-N 433.394 4.783 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCCC1(C)C 1743917713 FHDIQLOKIJHJEK-NVQXNPDNSA-N 435.616 4.891 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1746415758 GWTOQFJJBLAAMF-WSTZPKSXSA-N 440.661 4.744 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@H](c3nc(CC)cs3)C2)nnc1C(C)(C)C 1749112563 LLIQQPMXCADWKX-CQSZACIVSA-N 438.439 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(F)(F)F 1749124332 MIVVGTLKMNGDIW-WBMJQRKESA-N 432.849 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C)(C)CC1 1749124754 OZWSVOPWWDBSBI-GCJKJVERSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@H]1C 1749238786 BRAHPYBQXAZPHX-HZPDHXFCSA-N 439.387 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCC(=O)NC 1749357484 RSJPOZKQEXCODI-UHFFFAOYSA-N 425.621 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(OC)c(O)c1 1749370236 FPYAOBWPAVENEP-UHFFFAOYSA-N 441.601 4.587 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749414496 FDFDIYXTLAKNEA-LJQANCHMSA-N 437.613 4.865 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1cc(C(C)(C)C)no1 1749540930 GJVTWGFLGCZKHJ-UHFFFAOYSA-N 448.546 4.949 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@H]1CC=CCO1 1749552924 KTXWBHGFVJJKQY-OAQYLSRUSA-N 436.581 4.765 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1Cc1cccc(NC(C)=O)c1 1749590877 HWHPUUJUXLNDAC-UHFFFAOYSA-N 433.556 4.771 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1760133600 JKULTOKJBHDBRZ-RBBKRZOGSA-N 431.584 4.938 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760149582 OAMFVITWHKBGNM-OAQYLSRUSA-N 430.600 4.774 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCS1 1760223701 IXSMMVXDSRVLDH-OAQYLSRUSA-N 436.625 4.647 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1cc(C(CC)CC)no1 1760231359 ZVAIVPDGMKOCQX-UHFFFAOYSA-N 428.540 4.893 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccsc1 1760321028 ATMSBYIJYVQDFL-JTSKRJEESA-N 444.551 4.826 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 1760397111 MUCXQFCAJIWQMS-OAQYLSRUSA-N 439.604 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1760408274 HPBLNJKRIYYUPB-DEOSSOPVSA-N 441.551 4.785 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1760421705 XUTQSUAIYNFSFI-ZWKOTPCHSA-N 429.996 4.700 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1760423225 UGVASTCFFMGVPC-XUVXKRRUSA-N 445.405 4.783 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1760466875 MJAFLZSKXLKEPG-LAUBAEHRSA-N 432.996 4.974 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1760471973 PRIJVIDTHJZLHN-UHFFFAOYSA-N 449.502 4.827 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nc(C)cs1 1760491320 BQWKHCOLEABWJK-UHFFFAOYSA-N 448.365 4.838 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCc1c[nH]c2cc(C)ccc12 1760496429 UMPYVVIYIAYWFD-UHFFFAOYSA-N 432.597 4.845 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760567105 PPHCEBWUQHEIAX-HSZRJFAPSA-N 432.609 4.569 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1772555364 IDLXMNPPQIGCQD-KBMIEXCESA-N 442.579 4.664 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862403754 DIQJNQFMKNSUNK-NRFANRHFSA-N 438.480 4.680 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1 1862429128 GMOWUGPTZJHQRQ-NRFANRHFSA-N 426.944 4.650 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)c1 1862431154 ATLCLPCXDOJWQI-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862479030 WZQCVJDIHAKLOR-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862554913 NVNAZCZFBOYZLD-XMMPIXPASA-N 426.516 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594334 CLDUAVXXZWSBFL-NRFANRHFSA-N 439.389 4.588 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1862654462 YSXOKZRXFHNGRO-HSZRJFAPSA-N 431.488 4.875 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862662189 UUFNKWCYRDESMV-QHCPKHFHSA-N 432.520 4.906 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862669090 NXPRSHMMZHPQBM-FQEVSTJZSA-N 447.453 4.790 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(OC)c1 1862717127 XCTZUXHHBOAYTC-QHCPKHFHSA-N 429.472 4.621 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)cc1 1862735403 JRDFAEXYOYZBLY-QRQCRPRQSA-N 444.443 4.640 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862879700 BMICTFWVMLEGAN-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccc(Br)cc2)C1=O 1863201009 LVEDMJVEKRXVGL-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCC3=CCCCC3)C2=O)c1 1863239629 HBXIDZWEPQTUAC-UHFFFAOYSA-N 442.475 4.549 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccc(OC)cc2)C1=O 1863327776 QJSCXSJUYDWLKY-UHFFFAOYSA-N 440.499 4.652 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863429482 DDEFDCWVADJIIP-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1870137018 WIZGMUHTBBUMDI-UHFFFAOYSA-N 430.295 4.550 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)Cc2ccc(OCC)cc2)cc1 1870148408 LYUUZTCVYJOZOB-UHFFFAOYSA-N 447.539 4.678 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 1871344791 WERQBZWXBGDQOP-UCQKPKSFSA-N 428.444 4.606 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 1871370957 KCCTXLJYUNHXTR-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCC)nc(Nc2ccc(N3CCCC3)cc2)[nH]1 1871677924 UAQQEYXGORACGU-UHFFFAOYSA-N 435.620 4.808 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871767514 CESIWFYWUHVDDR-DEOSSOPVSA-N 434.561 4.860 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(=O)(=O)CC 1871948123 SEYBPBVXAZUPKQ-LJQANCHMSA-N 441.380 4.901 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(C)(=O)=O 1872157786 ORWPOUUZIRHCIJ-PGRDOPGGSA-N 429.586 4.621 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1)S(=O)(=O)CCCC 1872273064 CUBFBEDNCREQSS-FQEVSTJZSA-N 438.952 4.777 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872547299 BXUVGPSXXQBZNH-XXBNENTESA-N 428.598 4.924 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccc(Cl)cc1 1872701615 CDKALQWCGFJWKF-UHFFFAOYSA-N 436.940 4.611 30 10 IJEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872763468 MWKKGRSTRZCKIE-KRWDZBQOSA-N 437.433 4.744 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(OC)c2)cc2c(NCCCCCC)ncnc21 1873638814 MNOKFVUMMGLFIG-UHFFFAOYSA-N 437.544 4.879 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc[nH]1 1874291637 ZPEDAXYKIMQWKL-VULFUBBASA-N 447.564 4.985 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cc(OC)ccc1OC 1874304282 QJERTRPPZHLXIG-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(O)c(OCC)c1 1874328040 SUAZQMAHWACVBL-ZVHZXABRSA-N 438.553 4.739 30 10 IJEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccncc1 1874345142 YSIWXYZKPHBJJA-YZSQISJMSA-N 429.549 4.778 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874461276 GLOBVZZYVFQOAQ-AUEPDCJTSA-N 435.431 4.996 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874471332 QCTZISPDXDCNJL-LFVJCYFKSA-N 446.617 4.985 30 10 IJEE CC(C)(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874486128 CATFDZNKIZBMPL-AUEPDCJTSA-N 434.924 4.954 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(F)cc2F)cc1 1874516104 GMFZUVVKOJCFNB-BRJLIKDPSA-N 441.507 4.609 30 10 IJEE O=C(Oc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1)c1ccccc1 1874562422 VVKBRCGNIFSTFK-ZVHZXABRSA-N 434.908 4.989 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)cc1OC 1874585583 ZGJYQQUOJOKNHT-VQHVLOKHSA-N 437.870 4.770 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1 1875112577 KDEHNNGFLOGWMM-WLRTZDKTSA-N 433.416 4.727 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)c1 1875144738 MTUQAWLUTMHTQY-JXMROGBWSA-N 425.437 4.604 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)COC 1875165908 GMPVGSKMOZCDQZ-FNORWQNLSA-N 439.291 4.849 30 10 IJEE O=C(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1891855365 QHKAASDFQCZJGM-SNVBAGLBSA-N 436.327 4.588 30 10 IJEE CCCN[C@@H](C#Cc1cccs1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1900748282 NKURCIOIGIYOIN-FCHUYYIVSA-N 428.598 4.578 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CC1 1962873085 GQQXUBOOISVPIF-HDJSIYSDSA-N 436.350 4.590 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 2020331957 JCYVQMVRLJZPNZ-VAMGGRTRSA-N 437.625 4.615 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccs2)o1 2033813672 UGLJVNIJOVBDFF-LJQANCHMSA-N 442.924 4.839 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2037242645 IJFJCWRBOVXFTE-KJOQGJGQSA-N 446.632 4.574 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NC 2041202117 CCEOUQIXYFEHAB-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(F)c1Br 2089289472 QPBUAMHYSPJTBR-PBHICJAKSA-N 431.321 4.685 30 10 IJEE C=CC[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2121945025 QWLIHHOBIDVGRT-LBPRGKRZSA-N 434.115 4.625 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2124493586 IPYSMXSGDKCJDM-HXUWFJFHSA-N 429.399 4.870 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCCC 2159120627 JQJWBTDTTZMSPQ-UXHICEINSA-N 437.422 4.975 30 10 IJEE CC1(C)OB(c2cnc(Oc3ccc(Cl)c(F)c3F)c(Br)c2)OC1(C)C 2172630512 OLECUHZOXIDANL-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2174566875 ZUOFUNZFEWMPIK-BEFAXECRSA-N 436.394 4.836 30 10 IJEE C=C([C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221679419 JDYNVDDRJVYRDI-SJORKVTESA-N 427.459 4.646 30 10 IJEE Cc1ccc(CN2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2234697566 PDGBDCSQBTZDCI-PLQXJYEYSA-N 446.444 4.533 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C1(N(C)C(=O)OC(C)(C)C)CCC1 2235747830 TYGIBFSCBQGGNI-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2235747967 UYUOOIZALIRBIL-OXQOHEQNSA-N 445.348 4.717 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C 2237103947 SJUXWLVMESKEPM-SIKLNZKXSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2240677315 RTXSZPPBIYKLNZ-FFGOWVMKSA-N 433.390 4.696 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)C2 2264224384 WGGWJOXPCGLHPL-RTBURBONSA-N 449.592 4.617 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@@H](N)C#Cc2ccc(Br)cc2)s1 2278814502 SSUBFTKWLNKOOJ-HNNXBMFYSA-N 436.375 4.564 30 10 IJEE C=CCCC1([C@@H](N)Cc2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2281042508 SHCWWIZVCOIMRW-SFHVURJKSA-N 439.394 4.531 30 10 IJEE C=CC[C@@]1(COc2ccc([N+](=O)[O-])c(Br)c2)CCN(C(=O)OC(C)(C)C)C1 2287695817 UDNAACDWVNGYPI-LJQANCHMSA-N 441.322 4.939 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCN[C@@H](C(F)(F)F)C1 2294736269 OGUXCOMBYJSYAZ-RHSMWYFYSA-N 448.283 4.767 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)C#Cc2ccc(Br)cc2)C1 2296283477 HIFUZIMROWBWLD-SFHVURJKSA-N 432.358 4.797 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2296287640 YSGZPRLJBZRNOH-HOTGVXAUSA-N 449.311 4.577 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2296302688 MRAIQANMFQIOFO-RTBURBONSA-N 433.390 4.568 30 10 IJEE CCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1CC2(CC2)C1 2321620921 AJLTXQOZSKRWNJ-NDEPHWFRSA-N 430.640 4.683 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)N[C@H](C)c1ccccc1 2323099546 RMXCBHABQODBCB-LJQANCHMSA-N 445.515 4.856 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1C 2323396469 MDGOISUCGVRQCH-UHFFFAOYSA-N 428.941 4.848 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2nccs2)c(Cl)c1 2323701566 XYDBCZBKVKAMTB-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE COc1ccc(-c2csc(NN=Cc3ccc(OC)c(OC)c3Cl)n2)cc1OC 2323858521 GTGHNOBVLDBPAZ-UHFFFAOYSA-N 433.917 4.944 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1F 2324124271 PIBSRUIATDNNDA-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1cc(C=C2Oc3cc(OCC(=O)C(C)(C)C)cc(C)c3C2=O)cc(OC)c1OC 2324919141 HHURYLBIGPUIFP-UHFFFAOYSA-N 440.492 4.631 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325684531 CVHGTFVCOVCARV-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccc(F)cc1 2325893429 VFKCMSPSUQDYET-UHFFFAOYSA-N 440.544 4.770 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc1[N+](=O)[O-] 2326269312 XIQUTEIURVMZQL-UHFFFAOYSA-N 443.504 4.851 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2N=Cc2ccc(Cl)cc2)cc1C 2328966732 CFADJQIXASAKPM-UHFFFAOYSA-N 428.989 4.690 30 10 IJEE Cc1ccccc1CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc[nH]1 2329479198 VXIYTZRONXQSHQ-UHFFFAOYSA-N 446.536 4.783 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccc[nH]2)c1 2330236317 VMYPNSCAMLJIKP-UHFFFAOYSA-N 436.585 4.650 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)c1 2330800275 OYDAGWCWQRNPBM-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2cncc(C)c2)c([N+](=O)[O-])c1 2331362493 QRJXBMLBWHPDEI-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE CCCCOc1c(Br)cc(C=Nn2c(SC)nnc2C(C)C)cc1OC 2331668847 WNHCORJKSIYULV-UHFFFAOYSA-N 441.395 4.956 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1Br 2331846026 DPDNHYDKMCMFTF-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN(Cc2ccccc2)C1 2339542250 YNSBMGTZRIUKLG-POICXBNUSA-N 433.405 4.827 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339595967 FXDGHZZFPZXPDX-RBUKOAKNSA-N 444.381 4.751 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510305 IRDOBPIJCGZFNQ-UHFFFAOYSA-N 432.545 5.000 30 10 IJEE O=C(O)c1ccc(N/C(=N/Cc2ccccc2)N2CCN(c3ccc(Cl)cc3)CC2)cc1 15782713 OFYRNVBIUAKDTG-UHFFFAOYSA-N 448.954 4.829 30 10 IJEE COCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccccc1Cl 15981074 OCJCPLIMTBDYOU-DKECESECSA-N 437.899 4.901 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1c(C)cccc1[N+](=O)[O-] 27499180 UVUUFMAJUKIHEJ-LYBHJNIJSA-N 434.481 4.526 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccccc3)oc12 33522325 GGGZSBZFXSHAOQ-NRFANRHFSA-N 429.428 4.813 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ncccn2)cc1 39838791 AWUBQYSPZUWHEW-QFIPXVFZSA-N 439.471 4.514 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)cc1 41430475 NPBSRTNPUVPRJX-MTJSOVHGSA-N 432.403 4.756 30 10 IJEE O=[N+]([O-])c1cc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1Cl 100046204 VGHKTLBIWNXCDQ-WSDLNYQXSA-N 433.848 4.939 30 10 IJEE CCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1 102993693 STDCXVGEVWJCFO-JOCHJYFZSA-N 429.561 4.909 30 10 IJEE CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 169902726 OKDKRDDNZQILKF-LPYMAVHISA-N 445.368 4.883 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2-c2ccccc2)cc(OC)c1OCc1ccccc1 169911874 QULUYCXXWJCUAI-MYYYXRDXSA-N 446.532 4.712 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc(Cl)c1O 169942536 KLCSFOQHSHRALU-YVNNLAQVSA-N 430.917 4.972 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1 170001352 LEDPVGOEHLAQST-NRFANRHFSA-N 433.895 4.584 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2cccnc2)c1 170004884 SHGLWVYHXVDPNX-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@H]3c3cccnc3)nc2c1 170014101 DUDWUPXOIZMXQN-JOCHJYFZSA-N 449.470 4.531 30 10 IJEE COc1ccc(C2=C(Nc3ccc(Cl)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170159623 MJIZLDYOGCVONJ-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccs1 170160166 QSLOALVVERPZQM-QGZVFWFLSA-N 426.519 4.613 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2cccnc2)cc1 170185985 QITHTNWYWAMFBS-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)cc1 170187093 ODLILVFWSJZMAM-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1)c1c[nH]c2ccccc12 170188360 ARNBSIDGIWGFDP-OAQYLSRUSA-N 429.863 4.999 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccncc1 170199194 YNRQDMSUZQJZOM-NRFANRHFSA-N 432.451 4.629 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)cc1 170200062 DNWFCTXPFHWLGS-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 170240696 GNJJMMBVGLQXKZ-WMZHIEFXSA-N 431.463 4.736 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 170247525 OXZZYZLLMWXEOD-QHCPKHFHSA-N 433.479 4.982 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)s1 170248352 FAKAAMNHOPZJJW-GOSISDBHSA-N 426.444 4.821 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)c1 170296995 KCFCVWKPNPFJKM-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1 170383220 BNNOKPINCHVEGO-QFIPXVFZSA-N 427.460 4.610 30 10 IJEE COc1ccc(-c2cc(=Nc3ccc4c(c3)OCO4)c3cc(OCC#N)ccc3o2)cc1 254310656 YORQBNRJWJPDQU-UHFFFAOYSA-N 426.428 4.972 30 10 IJEE COc1cc(C=NOCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 254735830 YPYJJLNOAGFIAU-UHFFFAOYSA-N 448.563 4.710 30 10 IJEE CC(C)(C)c1ccc(-c2csc(NC(=O)Cc3noc(-c4ccc(C#N)o4)n3)n2)cc1 426439667 IYDIKHLRXXXZOQ-UHFFFAOYSA-N 433.493 4.803 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C 440718648 VGBWNYOTQFXHBF-AHWVRZQESA-N 440.547 4.653 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(C)(C)O1 442400004 GIKQTSDVLBEHKZ-HXUWFJFHSA-N 439.943 4.525 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Br)c(F)c1 482729230 JODQRFRXBFPYNT-UHFFFAOYSA-N 439.398 4.686 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508998776 UXWBRKULICSWQS-AWEZNQCLSA-N 447.992 4.984 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccc2C(=O)O)cc1 526605381 WQEUNQHWFKPDLO-HSZRJFAPSA-N 440.455 4.712 30 10 IJEE C=CCCOCCCCC(=O)N1CCC[C@@H]1c1ccccc1I 537198732 DMKJZTJXKYKIAK-GOSISDBHSA-N 427.326 4.718 30 10 IJEE C=CCn1c(SCc2nc3ccc(Br)cc3[nH]2)nnc1-c1ccoc1C 543643840 WASZXPJGBBYYCC-UHFFFAOYSA-N 430.331 4.964 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1Cc1ccccc1 558929056 OBFORWOHFNAMNM-LJQANCHMSA-N 442.567 4.567 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCc2cccc(Br)c2C1 574726297 WAQPGVRJBCTEBU-UHFFFAOYSA-N 439.357 4.506 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 584022600 XMXFEAQTKMJXQE-QFIPXVFZSA-N 434.540 4.540 30 10 IJEE CC(C)c1ccc(OCC[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 586352505 UYOOXGZWERXBMN-BEIWTESXSA-N 444.622 4.634 30 10 IJEE CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCc1ccc(C#N)cc1F 609254108 ASUWCVZFAXPRGV-UHFFFAOYSA-N 437.494 4.781 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)N(CC2CC2)C(=O)N[C@@H]1c1scnc1C 743741946 NLSQUTGUPXJBEL-KRWDZBQOSA-N 446.370 4.691 30 10 IJEE COc1ccc(CNC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)cc1C#N 747432482 OVWPHERMYYNLQP-KRWDZBQOSA-N 446.370 4.708 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1=S 749678885 ZGMRHRRLNYYVCL-OALUTQOASA-N 447.649 4.546 30 10 IJEE N#C[C@@H]1CN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CCN1Cc1ccccc1 761745980 HXJFTPJOKDNKSV-FUNKKEAFSA-N 433.861 4.522 30 10 IJEE COc1cccc2[nH]cc(CCNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c12 778066396 OLQCMYGUGKPYIA-UHFFFAOYSA-N 425.488 4.600 30 10 IJEE C=CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 779746385 ZNZMPLKLSJGWOW-IBGZPJMESA-N 443.956 4.503 30 10 IJEE C[C@@H](c1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1)C(F)(F)F 1125759401 AUILZODEGIFOPM-INIZCTEOSA-N 438.453 4.735 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)CCCC1 1131040642 MWUAVFQWZMLJCJ-QGZVFWFLSA-N 442.556 4.584 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(F)c(F)c1 1138368396 HKUXXXYLZIWSPV-QFIPXVFZSA-N 428.866 4.875 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 1141498619 YWZZARXRSFRYNO-AWEZNQCLSA-N 439.400 4.703 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)OC 1155467426 RGTZLLZVDPRJFZ-KRWDZBQOSA-N 432.860 4.668 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(C)sc2c(C)cccc12)c1ccc(Br)cc1 1190717087 YORUCSRKGSNPHH-QGZVFWFLSA-N 434.380 4.933 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCCN(C4CCCCC4)C3=O)c2)cc1 1200153724 HCEHLZZHAFYJDY-QHCPKHFHSA-N 432.524 4.796 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)c1ccccc1 1202766607 GBQMRVBUUASTBW-NRFANRHFSA-N 427.570 4.655 30 10 IJEE C=CCOc1c(Cl)cc(CNC2CN(c3ccc(C(F)(F)F)cc3)C2)cc1OC 1203740822 QILPKUDFNGLSSS-UHFFFAOYSA-N 426.866 4.911 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 1206233048 PTIZDSLZQIHKJW-AWEZNQCLSA-N 447.329 4.630 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1)c1ccccc1 1213548952 UAKWXFDEDUCOME-IBGZPJMESA-N 441.471 4.868 30 10 IJEE CCOc1cc(Cl)ccc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1216105840 CNVOOQWIRQFRJG-UHFFFAOYSA-N 430.295 4.771 30 10 IJEE C#CCC1(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CCC1 1220534671 UMPPGFALDANOOK-FQEVSTJZSA-N 428.001 4.746 30 10 IJEE C#CCN(C(=O)NCc1ccc(SC)cc1)[C@H]1CCOc2ccc(Br)cc21 1226584191 MBUVGJBNNPWPSN-IBGZPJMESA-N 445.382 4.840 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1254996539 VPFJFZQAUPOEQF-HOTGVXAUSA-N 435.531 4.714 30 10 IJEE C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc(OCc2ccccc2C#N)c1 1264422203 GTTKOENGTYXTAG-GOSISDBHSA-N 428.488 4.617 30 10 IJEE Cc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)ncc1Br 1265693916 GLQXJFGIZXRSNO-UHFFFAOYSA-N 447.764 4.923 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@]2(C)CC2(Br)Br)cc1 1269744862 JJSSYJYBEIBMIJ-INIZCTEOSA-N 445.151 4.531 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(COC(C)(C)C)on1 1286277601 FORBXJUOWKJOKS-PGRDOPGGSA-N 435.572 4.629 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1CC1 1286495741 DDNVNPNSJVDJKS-KRWDZBQOSA-N 433.021 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(OCc2ccccc2)CC1 1286550105 ZCPBJPDJTIEXDC-SSPYTLHUSA-N 438.616 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CC=CCO2)CC1 1286639633 BMTPMZYHOWWGFW-MRXNPFEDSA-N 449.780 4.863 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cccnc2OCC)CC1 1286664817 IOHNHNSVDQKBSS-UHFFFAOYSA-N 447.583 4.718 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1csc(CC)n1 1286762566 JKBDRWCVIUNILP-NRFANRHFSA-N 437.613 4.822 30 10 IJEE CC(C)(Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1)N1CCCCC1 1287090435 GXYDKAUCEFIOJI-UHFFFAOYSA-N 441.023 4.993 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC2CCC2)ccc1Cl 1288450276 WQRZJATWKYYKGH-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)o1 1289535233 DQQYGCLRKHDJKM-OAQYLSRUSA-N 446.580 4.719 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCC(F)(F)C2)cc1OC 1296723921 CBHCROMUWXTHRG-JKSUJKDBSA-N 433.503 4.526 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1Cc2ccccc2[C@H]1C 1300341878 MJESMNALIBWAIT-MRXNPFEDSA-N 438.373 4.931 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1c[nH]c2c(CC)cccc12 1300609842 WVPSSVAWCRHXHJ-UHFFFAOYSA-N 432.959 4.739 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1300742231 BILCLUGBCYTSLY-RTWAWAEBSA-N 428.671 4.984 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSc1ccccc1 1300817498 NQZITVQLZIHNCW-DNRQZRRGSA-N 438.641 4.981 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cccnc2OC)CC1 1301065858 KKTJMOQKMQJJRD-QGZVFWFLSA-N 439.947 4.680 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 1301106989 ZNQRVBWBMWDXFO-QFIPXVFZSA-N 437.632 4.824 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1301119622 PWZGSVZUIKHLGU-OALUTQOASA-N 444.023 4.500 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(F)(F)F 1301158390 DCRALMRYOSDNLY-HNNXBMFYSA-N 445.530 4.951 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(F)cc1F 1301160015 JTOYMHBZFRNIAX-UHFFFAOYSA-N 428.531 4.657 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1301170385 TZMDPJIWMIKUJM-ICSRJNTNSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301177440 ZYFSVVJOAQERDB-UHFFFAOYSA-N 435.616 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCN(C(C)C)C1 1301278699 PBVFZSMJDATRPT-HNNXBMFYSA-N 438.439 4.512 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1301306093 ZFUGGTQBHQRUDV-OFNKIYASSA-N 426.605 4.535 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccsc1)N(C)C)C1CC1 1301317662 WMOIAAICFABSRV-SFHVURJKSA-N 428.993 4.513 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC1(CC)CCOCC1 1301399961 YVSUMUOVHHGDQY-UHFFFAOYSA-N 431.584 4.782 30 10 IJEE C#CCN(C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655991 NUYZLHJTXNUVNY-OAHLLOKOSA-N 439.383 4.958 30 10 IJEE COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1307504768 BZMHZHZDCRVWLV-QGZVFWFLSA-N 448.542 4.615 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Oc2cncc(Cl)c2)CC1 1307798151 BDSMTFRMMAPNQO-INIZCTEOSA-N 444.988 4.611 30 10 IJEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1310888033 BVKMNKZHVPFXKT-ILXRZTDVSA-N 442.972 4.834 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(Cl)cn1)c1ccc2c(c1)OCO2 1348807315 RTYRROUSIFMMKR-UHFFFAOYSA-N 436.895 4.804 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1sccc1C)[C@H]1CCOc2ccc(Br)cc21 1353634075 JFQUTHWUKGARSO-NUJGCVRESA-N 430.367 4.908 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CC1 1354155415 DVXPVMINPZHMLA-FQEVSTJZSA-N 437.565 4.743 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN(C)C(C)C 1358872456 UVHJMIGBDSOGRZ-VQTJNVASSA-N 446.039 4.877 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)O[C@H](C)C1 1358907739 YXGRQBQOQMTDLD-BGYRXZFFSA-N 434.540 4.534 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N(C)Cc1ccccc1 1358942554 ZWSKJDKRLSDNQU-HXUWFJFHSA-N 447.652 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCSC(CC)(CC)C1 1359096401 BFDLDMFRTVKMMH-CTNGQTDRSA-N 441.645 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC(O)(CC)CC 1359108296 IHJVISATHBZVFC-UHFFFAOYSA-N 439.373 4.800 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1359122887 DPHLUPVWYAJMLF-MRXNPFEDSA-N 448.518 4.699 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1359156389 DFOGIXYOHCVLJC-LJQANCHMSA-N 425.385 4.593 30 10 IJEE C=CCCCCn1c(N2CC[C@H](C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359206748 ODRQPRJRNBFMBT-ZGXWSNOMSA-N 431.625 4.887 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC2(CC2)C1 1359214658 JAWYRQKBXSAGLV-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1ccco1 1359268292 KZTACOJTAIJWLK-OAQYLSRUSA-N 433.339 4.931 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC=CCC1 1359274683 WMXBFXNLPLMGQF-JOCHJYFZSA-N 442.567 4.517 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@H]2CCCC[C@@H]2C)c1 1361017787 CMAGPHKCEZMBHB-GIWBLDEGSA-N 439.604 4.665 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCc2sc(C)nc2C)c1 1361144266 FYRZLPTUSIJWDO-KRWDZBQOSA-N 438.601 4.528 30 10 IJEE C=CCc1cc(C(=O)Nc2sc(C(F)(F)F)cc2C(=O)OCC)cc(OC)c1OC 1436572191 BZXNAIHBIADWHY-UHFFFAOYSA-N 443.443 4.942 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC(O)(c2scnc2Br)CC1)c1ccccc1 1448539478 KDAUJBAJWLWUMT-KRWDZBQOSA-N 449.414 4.856 30 10 IJEE C#C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1448612435 KHDAGHIHLLVBKG-DQEYMECFSA-N 432.564 4.714 30 10 IJEE Cc1cc(F)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1F 1457527888 BOISWNIQMBLLMQ-GOSISDBHSA-N 441.478 4.525 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2C)CCCN1C(=O)OC(C)(C)C 1459013518 BGPAIXSHZQGCBD-OAQYLSRUSA-N 426.479 4.976 30 10 IJEE C#CCN(Cc1ccc(C(=O)OC)c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1459521361 ZDTCJNWPFHDSOT-IBGZPJMESA-N 448.744 4.848 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(Cl)c1 1463165900 FMSMQNMCAXOYEW-UHFFFAOYSA-N 436.096 4.570 30 10 IJEE CC(C)[C@@H](CO)[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(C)C 1465516244 GQMWQVIEGFQEKW-NFBKMPQASA-N 427.520 4.687 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccnc1Sc1ccc(Br)cc1)C(=O)OCC 1468124831 HFOKNDCFFOZTMY-QGZVFWFLSA-N 449.370 4.623 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](C)Oc1ccccc1Br)c1ccc(Cl)cc1F 1469198718 BZOWFPWAQFIIDG-YVEFUNNKSA-N 439.712 4.683 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2c(Cl)cccc2Cl)CC1 1472916443 FVJAFVYXMWUEFR-SFHVURJKSA-N 438.355 4.634 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1OC 1474154661 MAFOGZCYXVTWES-GOSISDBHSA-N 425.479 4.506 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 1476408538 BASLHUZPPWCYPB-AWEZNQCLSA-N 435.293 4.684 30 10 IJEE C#CCN(C(=O)NCC1(C2CCC2)CCC1)[C@H]1CCOc2ccc(Br)cc21 1478774534 HIEPFYJGHACLJP-IBGZPJMESA-N 431.374 4.888 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC2(CCOCC2)C1 1507556349 LILKXGNBRBXRKA-UHFFFAOYSA-N 430.955 4.938 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)(C#N)CC1 1507576756 MJYJWJXBKIJQPG-UHFFFAOYSA-N 426.362 4.560 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1507577059 NVXLZOASPBMPHD-UHFFFAOYSA-N 435.616 4.541 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cscc1C 1507645873 MSKOYTZLDUGCJD-UHFFFAOYSA-N 432.593 4.861 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)c1ccc(Cl)cc1 1507699347 FIOXIYSGGCZHTD-NJDAHSKKSA-N 445.007 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1507814877 OZNSSLSSQNZLHT-FPOVZHCZSA-N 427.549 4.707 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2cn[nH]c2)CC1 1507909177 UOJHIEDQGQDITJ-UHFFFAOYSA-N 434.588 4.523 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCCN(Cc2ccccc2)CC1 1507939925 VGDTZKDQHIRVDO-UHFFFAOYSA-N 435.641 4.999 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCCC[C@@H]1CC)C1CC1 1507994097 WTBLNWNMJPMIHF-SFHVURJKSA-N 429.559 4.566 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CCC)C1 1508006781 LHJARAIOUBYZET-HXUWFJFHSA-N 436.629 4.635 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(SC)c1 1508024153 JSDYDZDLGBAUMN-JOCHJYFZSA-N 449.624 4.572 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1508152956 VITXUEJSXLMGON-LEWJYISDSA-N 428.646 4.991 30 10 IJEE C[C@@]1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CCCO1 1510354490 GNSCKOGJYCHZKN-NRFANRHFSA-N 431.993 4.533 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H](C)CC#N)c(C)o1 1510550587 FUROJCRIAYLQRS-MCMMXHMISA-N 445.926 4.594 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCCc4c(Cl)cccc43)CC2=O)cc1Cl 1521828050 HTOFOHKDOBKRBJ-HNNXBMFYSA-N 428.319 4.587 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc(C)c(C)s1)c1ccc2c(c1)OCCO2 1522212114 KVWGGLZAKVPWJQ-UHFFFAOYSA-N 436.533 4.943 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1cncc(C)c1)c1ccc2c(c1)OCCO2 1522212149 LJFLRMTULDIGGC-FLIBITNWSA-N 442.515 4.973 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cn(C)nc1C(C)(C)C)c1ccc2c(c1)OCO2 1523443681 MXJKAQWEDSJYDW-UHFFFAOYSA-N 447.535 4.858 30 10 IJEE C#C[C@H](NC(=O)Cc1c(Cl)cccc1Br)c1ccc(Br)cc1 1528088680 PCPKCKIOJDESTP-INIZCTEOSA-N 441.550 4.898 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1528528198 QGXVCFWBMWAJEF-LVCYWYKZSA-N 447.417 4.861 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)sc2c1CC[C@@H](CC)C2 1530204148 FMISAMXJOOTYMJ-HUUCEWRRSA-N 426.538 4.717 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1OC 1530658329 AXJQWSPWVRGZJI-BPOBUFBUSA-N 426.944 4.712 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 1531440836 FMIVDDYAGDGRMI-GOSISDBHSA-N 426.582 4.549 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@H](C)CC)c1 1531821378 AIMFNQQUEDFUNU-QGZVFWFLSA-N 434.989 4.887 30 10 IJEE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1532004949 AMFNFTJFNPKADE-HZPDHXFCSA-N 425.916 4.632 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(F)n2)c1 1538055826 FENDVDGOQCLRGY-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1539030378 QZGWLJMQUVGLAT-OWSLCNJRSA-N 443.389 4.514 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCSC(F)(F)F 1539162369 QEHIWHKVGZZBBO-UHFFFAOYSA-N 426.508 4.692 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1csc(C(C)(C)C)n1 1539194975 KBNZWPQUFTVBBT-UHFFFAOYSA-N 437.613 4.540 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1c1ccco1 1539504451 HCABKKWZZWCZPT-GOSISDBHSA-N 442.972 4.908 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CCc1ccc(OC)c(OC(F)F)c1 1539534758 YZHJUGVONPEERT-WAIKUNEKSA-N 432.515 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CC[C@](C)(CC)O1 1539567398 WIPDQYGUPHTXLG-QGDZQMKYSA-N 436.600 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)c1cc(C)oc1C 1539675750 CMJQSPXGFMNVIC-SANMLTNESA-N 447.583 4.801 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1539960479 BLWOZAHHXFFEAW-RBUKOAKNSA-N 434.588 4.563 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540137575 VAYDSODWJHWIGH-IIZPIQPGSA-N 442.579 4.707 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)c1nccs1 1540144779 PAZBOLUJXWGTCR-UHFFFAOYSA-N 443.868 4.786 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2ccc(OC)cc2)C1 1540895228 NLCHYAJKKGAWAC-HSZRJFAPSA-N 438.616 4.779 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C 1541410644 HROQYVWDVZQPNR-OFNKIYASSA-N 439.604 4.662 30 10 IJEE C#CC[C@]1(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1543122283 QXKRBBWPHKSAHJ-RXFWQSSRSA-N 435.568 4.667 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 1544936894 IWHLDROXUTZSCK-UHFFFAOYSA-N 442.581 4.878 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 1556781674 LLVQXTOEHMTNOR-IAGOWNOFSA-N 427.125 4.670 30 10 IJEE C=CCOc1ccc(-c2nnc(SCc3cc(OC)ncc3Br)o2)cc1 1559384657 PRQNNDJLARYYKB-UHFFFAOYSA-N 434.315 4.760 30 10 IJEE C=CCC[C@H](NCc1cn(C)nc1I)c1ccc(C(F)(F)F)cc1 1560409784 UIFKPZBMTOXKRO-HNNXBMFYSA-N 449.258 4.841 30 10 IJEE C#CCN(Cc1c(C)[nH]c(C(=O)OCC)c1C)[C@@H]1CCOc2ccc(Br)cc21 1560702428 SFVOOKVISBPNNN-LJQANCHMSA-N 445.357 4.530 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cc(OC)ccc1Br)c1ccc(F)c(F)c1 1563695943 LMCWWNXNARFPED-GOSISDBHSA-N 425.273 4.853 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 1564207066 SEOPYFHNYGRUPK-QGZVFWFLSA-N 433.346 4.936 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C(N)=O)[C@H](C)c1ccccc1)c1ccc(C(F)(F)F)cc1 1564406671 KYGPWFUUUKQDGX-UIAACRFSSA-N 433.474 4.670 30 10 IJEE C=CC[C@H](CO)CNC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 1565278901 IHIZASAEGAVXQM-ZDUSSCGKSA-N 427.303 4.909 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@@H]12 1565538171 ZXKJZOJZCOHWGC-BLXXFGQISA-N 429.004 4.776 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1scc(Br)c1Br 1586548878 AWXBPLLZJYEIDW-LBPRGKRZSA-N 426.133 4.562 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ncc(CC)s1 1587592573 DOEHASPPGIGFHZ-CYBMUJFWSA-N 434.396 4.971 30 10 IJEE C=C[C@@H](C(=O)N1CCC(Oc2ccccc2I)CC1)c1ccccc1 1587619502 UFLFXIARMWWDSN-GOSISDBHSA-N 447.316 4.631 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1ccc(Cl)s1 1588310055 NPJYOIPAFSPFOH-UHFFFAOYSA-N 436.972 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCc1ncc(CC)s1 1589243280 ZOFDZVBLPSAJHI-RUZDIDTESA-N 449.624 4.728 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C1[C@H]2CCC[C@H]12 1589443371 RLUHWKHDSJZOSO-IRXDYDNUSA-N 431.378 4.617 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1589449839 RSUOSAWCPBGORB-OAHLLOKOSA-N 441.320 4.556 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)c1nccs1 1593683485 LHAKOABYSSLHBV-IRXDYDNUSA-N 446.621 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1594511071 KABRWKCOOSAGBR-PKOBYXMFSA-N 431.625 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc3ccccc3o2)nnc1[C@]1(OCC)CCOC1 1594529141 QOMCSEBGDCMUML-VWLOTQADSA-N 438.572 4.915 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1594788318 KTJBRKFRYYWFQA-UXHICEINSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1Cc1ccc2c(n1)CCCC2 1595085013 OEHMQKJSODIDJN-UHFFFAOYSA-N 445.611 5.000 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1Cc1nc2c(s1)C[C@H](C)CC2 1595165484 IGERMQLPGVQBJG-MRXNPFEDSA-N 443.642 4.698 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N(CC)CC)C1 1595688779 OHULQZGRANXGLO-OFNKIYASSA-N 439.648 4.754 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc(C)c3ccccc23)nnc1-c1ccco1 1597543897 JQVPSYWLIFCZDY-UHFFFAOYSA-N 432.549 4.984 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)N2CCC[C@@H](C)C2)cc1 1613778475 ANPTYXWNOQYAEM-YZIHRLCOSA-N 434.632 4.758 30 10 IJEE CCCOc1ccccc1/C=C1/S/C(=N/c2ccc(C(=O)O)c(O)c2)N(CC)C1=O 1614234479 PLSWDAUQPNDWGG-GTXWLNMASA-N 426.494 4.503 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)C[C@@](C)(C(F)(F)F)O1 1623101818 FROCUJSRRYCJQB-HNNXBMFYSA-N 432.336 4.731 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(Br)cnc1-n1cccn1 1623603702 KFZQEMWARPIZBF-UHFFFAOYSA-N 442.317 4.572 30 10 IJEE COc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc(Cl)c1OCCC(C)C 1624808865 DUSPIGGHIBUQOA-UHFFFAOYSA-N 428.916 4.549 30 10 IJEE CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 1626542123 BQFPCSRVHDBVPC-UHFFFAOYSA-N 435.505 4.673 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)C(C)C 1628517021 HWSMAZVQTCUNLR-QGZVFWFLSA-N 444.567 4.750 30 10 IJEE C=CCc1cc(CNC(=O)NCCOc2cccc(Cl)c2Cl)cc(OC)c1OC 1630015649 DVWIXIAMMJXHHU-UHFFFAOYSA-N 439.339 4.617 30 10 IJEE CC(C)(C)OC(=O)NCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1630193189 HITACBVBYDOMTM-UHFFFAOYSA-N 435.402 4.833 30 10 IJEE C=CCSCCNC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1632754399 HCHWPDWQULKLRC-UHFFFAOYSA-N 446.638 4.679 30 10 IJEE Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1633236393 FPWMEDFKRCIDIR-HSZRJFAPSA-N 431.536 4.748 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 1633423803 FEHJVEOHPKNPFM-GOTSBHOMSA-N 448.567 4.865 30 10 IJEE C#CCC[C@@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 1633895545 IYRVDMSOCIPABP-PHKMIBKXSA-N 430.935 4.879 30 10 IJEE C#C[C@@H](C)N(C)C(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1635422865 GMHIVYFSWRTESY-UZUQRXQVSA-N 436.939 4.516 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 1636489565 XVPHCYJYZOPTDE-NRFANRHFSA-N 436.556 4.790 30 10 IJEE C=CCC[C@@H](CO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1640585091 JQWWDLKRKOLLMY-KJCUYJGMSA-N 437.521 4.579 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1641354087 PNZGARCPSNOWLU-NQIIRXRSSA-N 442.581 4.669 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)CN(C(=O)OC(C)(C)C)C1 1645115365 TWOXHNBKOQPQQS-SFHVURJKSA-N 448.007 4.804 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C(F)(F)F)CC[C@@H]2C)n(-c2ccc(F)cc2)c1C 1645250913 FNOIGKRMEBYDFW-XJKSGUPXSA-N 436.453 4.706 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2Nc1nc2c(c(C#N)c1C#N)CCCCCC2 1651909349 HJOBDZHEGAAHAS-OAQYLSRUSA-N 435.572 4.685 30 10 IJEE C#CCCS(=O)(=O)N(C)[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)C1=O 1655535186 AGHARLUDIVUKDS-ZCQLBKDISA-N 441.980 4.657 30 10 IJEE COC(=O)c1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1C#N 1656030421 HBJVWLAJIGRYCK-UHFFFAOYSA-N 441.512 4.645 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)ccc1OC 1656308264 OIABRWBBYNYJKE-GCJKJVERSA-N 426.532 4.631 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1657580291 VGSLLAMGARHZRM-PZJWPPBQSA-N 441.413 4.851 30 10 IJEE CC(C)c1ccc(C2(O)CCC(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 1664274861 HITAJNKFUQWTHR-VATAACPUSA-N 431.580 4.597 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2COc3cc(F)ccc3C2)cc1 1668066039 FQKHAXBHGNVBSP-IBGZPJMESA-N 433.439 4.623 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](O)c1c(F)cccc1Cl 1672209624 HIPBYYMESDUHKZ-OAHLLOKOSA-N 443.700 4.662 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1673009290 XDCKHDALXIEAHP-UHFFFAOYSA-N 445.560 4.611 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)cc1 1673819680 KLNNUIJBLGBXKL-IRJFHVNHSA-N 425.479 4.847 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 1675018828 VEEPQRWENFSPBX-UHFFFAOYSA-N 431.511 4.888 30 10 IJEE Cc1cc(Br)cc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1676517409 BDWCHQGFZXFQOC-UHFFFAOYSA-N 433.737 4.637 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1)c1ccc(F)cc1 1678205701 ORTZLZDSOWDPRF-GOTSBHOMSA-N 432.495 4.800 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)[C@H]1CCCc2ccccc21 1681387883 RXQZQFDUIATZFK-ZEQRLZLVSA-N 432.955 4.885 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 1682070966 BLMGVBCPJUMDMV-GJZGRUSLSA-N 427.998 4.793 30 10 IJEE C=CCCCCCCCNC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1683130667 KXJJGXFANIQRMB-OALUTQOASA-N 431.543 4.878 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC 1686594968 WMRHWCYGDWGLCH-IBGZPJMESA-N 431.577 4.601 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1686677145 CNWVUJOEUXVBTF-MBOZVWFJSA-N 433.980 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1nccs1 1689835911 UZPQSMWAGZSTSY-JYJNAYRXSA-N 425.627 4.850 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(C)C)CC1 1689878490 KIUXIBCSQYRVAT-UHFFFAOYSA-N 440.588 4.647 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(OCC)CCCC1 1690008678 MEDWZVFBBBRRTN-UHFFFAOYSA-N 431.367 4.674 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CC2(CCOCC2)C1 1690059359 OKCFIEPHWWMMJR-GOSISDBHSA-N 442.991 4.738 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCN1C1CCCCC1 1690083209 BADUKTIRVGHTNE-DEOSSOPVSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCCO)CC1 1690241169 PHBSRTCDLOSEMB-UNMCSNQZSA-N 445.007 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1690408814 YIYRQNJPINJZTQ-IBGZPJMESA-N 448.468 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690436176 MMUDNAHTVNISBX-HSZRJFAPSA-N 447.631 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1C1(c2ccccc2)CCC1 1690439330 BSJULMJZJJEKAJ-UHFFFAOYSA-N 437.632 4.701 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC(N2CCCC2=O)CC1)c1ccccc1 1690442252 PGMBKJJVAFHVHR-IRLDBZIGSA-N 435.616 4.743 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cccn(CC)c1=O 1690516346 FYTHKZJWFMLFST-UHFFFAOYSA-N 439.972 4.665 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1690518755 UBYLIHQFBLZVCT-QGZVFWFLSA-N 425.533 4.617 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCCC1)C1CC1 1690547016 RVQGCRGMEAOGBQ-IBGZPJMESA-N 428.024 4.799 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC1(O)CCCCCC1 1690603373 ACECVHUVGDYICD-HSZRJFAPSA-N 438.616 4.840 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1690750291 FOYNLJYZXYTUFC-IFMALSPDSA-N 437.613 4.807 30 10 IJEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CCS1 1694922821 FGANTQMDXVRPKK-IBGZPJMESA-N 431.556 4.974 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC(C)(C)C1 1705531774 WGEUDBRYSRJABU-IBGZPJMESA-N 446.599 4.522 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1705660766 GALYHWLBYOMIKW-UHFFFAOYSA-N 447.048 4.673 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1705662112 QLRYNPMJBXSLNM-UHFFFAOYSA-N 429.590 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1scnc1C 1705696458 NXRAYSDDCRMIKW-UNMCSNQZSA-N 437.613 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN(C(C)C)C1 1705719501 AXKJIEMSYDOFKG-FQEVSTJZSA-N 429.584 4.519 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](OCC)C1 1705827156 WLYGPNXITYHMOC-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCOC[C@@H]1C 1705881950 HEWPUEZRPHEPHE-AZUAARDMSA-N 444.645 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2ccc(C)cc2)N2CCCC2)C1 1705915742 LSXNUMNHOXJPGB-JRFVFWCSSA-N 437.632 4.718 30 10 IJEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCC1(C)C 1711122777 AWNYKFZEABSGBQ-GOSISDBHSA-N 436.585 4.648 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)C1 1711594220 DHSHYSGCUSFBFW-SIKLNZKXSA-N 429.515 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)Cc1cccs1 1722291984 LWHGVFLHLQANSM-ROUUACIJSA-N 431.565 4.998 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1722328845 ZEYWVOYIQPKHJT-PGRDOPGGSA-N 442.991 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cc1 1722469556 IEYYJYNNDIQUIR-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC1(C)C 1722476322 QQAPORKGCUVELK-KSFYIVLOSA-N 443.389 4.658 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1722595985 ADDRMFRLDIGQCW-YHELAOLJSA-N 430.543 4.869 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 1722597553 UIACWQXGTOVLBU-XZOQPEGZSA-N 432.616 4.954 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1722612802 XCAIUMXABVHQSM-SFHVURJKSA-N 439.947 4.626 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1722618097 VVPRIZYWROXRLJ-UHFFFAOYSA-N 429.568 4.923 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cccs1 1722624039 RDMFXGKMCBAPJG-LJQANCHMSA-N 439.541 4.849 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(C(=O)N(C)C)CCCC1 1722637715 XIXMKHXIPBRWMR-UHFFFAOYSA-N 436.387 4.523 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](C)N1CCc2ccccc2C1 1722675020 INDBVMRVCFUSFS-NRFANRHFSA-N 447.627 4.851 30 10 IJEE C[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C#N)CC1)c1nccs1 1723816167 FCELXOVPCJSBFE-JKSUJKDBSA-N 440.548 4.557 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740542094 NZWLWSTZNIZYGL-DGGJZMOXSA-N 431.987 4.706 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1c(C)noc1C 1740543405 OPXWACAYMVJCGG-SFHVURJKSA-N 435.572 4.675 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnn(C)c1 1740567949 QYZHSEXPRJNTLP-UHFFFAOYSA-N 441.583 4.526 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCCC2)nc1 1740600022 HHYOUZIUXCZGCY-DEOSSOPVSA-N 442.611 4.713 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@H](C)C1 1740664362 NKRZPIMJSRUFCP-JKSUJKDBSA-N 431.378 4.612 30 10 IJEE C=C(Br)Cn1c(Nc2cnn(C)c2)nnc1-c1cc2c(s1)CC[C@H](C)C2 1740749817 FQGJPTQKZMROSW-NSHDSACASA-N 433.379 4.517 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740786119 QPZNDNZZMSVCLB-AABGKKOBSA-N 429.609 4.943 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(C)C)CC1 1740818664 QFWCOYGMENRJLD-UHFFFAOYSA-N 429.996 4.700 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C)o2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740855523 IVSSOCUIESNROR-UHFFFAOYSA-N 443.592 4.896 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1OCC[C@H]1C 1740922831 UDWMFMQLFCHGPY-OXQOHEQNSA-N 439.541 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1cccc(C(F)(F)F)n1 1740931335 JQQZFYKPPZDJHA-UHFFFAOYSA-N 427.474 4.818 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCC1CCOCC1 1748680279 PLPOMFOSLOVEJF-LJQANCHMSA-N 445.007 4.526 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OC2CCCC2)nc1 1748771949 LRSAXEJVVDAMPU-QHCPKHFHSA-N 429.568 4.654 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(c2ccccn2)CCC1 1748773529 YRXAPEZWHZNUDN-SFHVURJKSA-N 435.959 4.658 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1CCCC[C@H]1C 1748876562 KZXYMUARWNIDGB-OAQYLSRUSA-N 438.019 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC1CC(F)C1 1749119190 OPZKKMJFZRJICJ-MSVHFWJSSA-N 426.580 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCCC[C@@H](SC)C1 1749136440 NIXWSBFEUBHTRO-AKFKNWHVSA-N 440.657 4.766 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1749242408 HVUCALNDLZWNAV-UHFFFAOYSA-N 436.991 4.627 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1749348695 WCOUUVBPOLDYLP-HSZRJFAPSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccsc2)CC1 1749367427 VNMQCPVLFODGBZ-FQEVSTJZSA-N 429.634 4.506 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749442139 NPMBHLCJKZDIOJ-QGZVFWFLSA-N 429.977 4.523 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCn1ccnc1C 1749465702 WGURMXJXLASNJG-GOSISDBHSA-N 442.995 4.906 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@]1(C)OCCc2sccc21 1749553926 XKDJKFWXHOGGBP-QFIPXVFZSA-N 444.626 4.618 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(C)C 1749584629 PPWXPLABTMXKPZ-UHFFFAOYSA-N 449.599 4.923 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CCOCC1 1750257701 AQFHIBZUKLGTRA-WIYYLYMNSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCC1CCN(CC(F)(F)F)CC1 1760105165 BWCAMEPVRXHVTN-SFHVURJKSA-N 447.549 4.630 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1c(C)coc1C 1760209635 FTWGYJORFVXPRE-QFIPXVFZSA-N 430.552 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCCCCC2)nc1 1760226753 JNYXMRIYZBJKBO-UHFFFAOYSA-N 449.002 4.882 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2CCC[C@H]21 1760275367 WIDBMXMISPNOKI-SQGPQFPESA-N 431.005 4.817 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCc1ccc(Cl)s1 1760288979 FFMORURULYTLAG-JOCHJYFZSA-N 426.973 4.903 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CC1 1760317226 CJRGETWSKZDJAD-LPHOPBHVSA-N 431.378 4.596 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)CC(C)(C)C1 1760326201 WADPISSHJLSATB-RFWXGWTQSA-N 426.580 4.862 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1760354303 VQCQQKYGHRFMNQ-RTWAWAEBSA-N 445.007 4.975 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760431840 AQAMCZIYWUMYKZ-FQEVSTJZSA-N 446.599 4.509 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760442147 HGRSCZDMVVODJM-NQIIRXRSSA-N 446.382 4.715 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN(C)C2CCCCC2)C1 1760537053 IKFATXKHLWWTGW-QFIPXVFZSA-N 444.023 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCSC2)C1 1760537785 QFASLBNAUWIDIE-NJDAHSKKSA-N 442.629 4.569 30 10 IJEE CN(Cc1ccoc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)N(C)C 1768712296 DOFBACLCXCBSMW-HSZRJFAPSA-N 432.572 4.557 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3cccc(Cl)c3)n2)c1 1772724133 RLZXRZGYXGMGET-UHFFFAOYSA-N 449.001 4.940 30 10 IJEE Cc1c(C(=O)Nc2c(Cl)cccc2Cl)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729583 VZVGKGBWBMDTIQ-UHFFFAOYSA-N 439.368 4.657 30 10 IJEE Cc1ccc(COc2ccc(/C=C3\SC(=Nc4nnc(C)s4)N(C)C3=O)cc2)cc1 1772739519 UOYGKLKZQVDDQT-OCFWRVAFSA-N 436.562 4.968 30 10 IJEE CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1ccccc1C(=O)O 1772762513 SWBMCPWBJUWQOR-SKCGTWTRSA-N 431.311 4.771 30 10 IJEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2)sc2c1CCCC2 1858838781 SKSWXVPAJDYEGG-UHFFFAOYSA-N 447.520 4.555 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1 1860725943 COPDQPZXKKHLNZ-XBXARRHUSA-N 439.284 4.795 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccccc1C#N 1860893040 MPDPXUNMIIQKCN-HXUWFJFHSA-N 441.984 4.886 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1862383974 SSUHXECXOXHLPP-IBGZPJMESA-N 448.302 4.753 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862415400 WLIOFKUGVIKYFP-JOCHJYFZSA-N 440.490 4.942 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862433369 AIYRNYJLUCLYJQ-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F 1862467651 BLWNFVZAGCBZJR-KPZWWZAWSA-N 432.289 4.965 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2Cl)ccc1F 1862502784 IXZKIUFAWXZOPF-NRFANRHFSA-N 436.870 4.961 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc2ccccc12 1862593876 YWZMNQJFCQBUEU-QHCPKHFHSA-N 431.488 4.549 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Br 1862599122 CEYRUDRWHYECRC-GOSISDBHSA-N 430.298 4.533 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(F)cccc1Cl 1862630917 DOZHHRUUGOVAOC-WYRIXSBYSA-N 431.847 4.585 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cccc2ccccc12)c1cccc2ccccc12 1862653692 UEUJFLJLUKQWPR-RUZDIDTESA-N 437.495 4.954 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1F 1862675542 NPBOSQQAELSARR-NRFANRHFSA-N 447.453 4.889 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862746696 IPCJGJFJOHGXDX-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1863211505 UNUVKXLFMIWIRK-VGOFRKELSA-N 429.520 4.728 30 10 IJEE CC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866778866 HODZXXJHKDDPLA-RPWUZVMVSA-N 447.485 4.892 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c(C)c1 1870105898 MWRJTOZYXUUISV-IBGZPJMESA-N 431.540 4.653 30 10 IJEE CCCCCCCOc1cn(CCCOCCCC)c(CN2CCN(CC)CC2)cc1=O 1870411155 WAZBNYLDHZAIHU-UHFFFAOYSA-N 449.680 4.542 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871374507 NWNDTHZEHNBTQQ-XKZIYDEJSA-N 434.444 4.678 30 10 IJEE CCOC(COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)OCC 1871416103 MAEMSYKBMDPBBR-ODLFYWEKSA-N 433.298 4.843 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872149078 AHRZFGLZPJTTFH-UTKZUKDTSA-N 434.989 4.960 30 10 IJEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 1872870496 DGUPJNQLJIRHAD-UHFFFAOYSA-N 442.559 4.965 30 10 IJEE COc1cccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCCC3)C2=O)c1 1873218219 BHHIAYLZPXDOGW-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874230701 XUDLFDRBOYGXCT-FSJBWODESA-N 446.960 4.830 30 10 IJEE OCCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874282633 QYZOOBFHUUHHNY-OEAKJJBVSA-N 435.380 4.727 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cc(C)ccc2O)o1 1874454492 GVYCWXMFEUKNCH-FSJBWODESA-N 440.525 4.504 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1F 1874476653 QYQSCWTZNZEIDN-ZMOGYAJESA-N 429.496 4.512 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2)c1 1874486379 ORKQKSLBJGULDG-DHRITJCHSA-N 439.560 4.846 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874513552 DSUKWDNRFFTRHM-SSDVNMTOSA-N 425.514 4.807 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1F 1874517476 VSVRQLVAZPBLCD-HURLIOHXSA-N 443.523 4.531 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)NCc1ccccc1 1874617641 MSRJJDOZJSAMOM-JLHYYAGUSA-N 429.516 4.903 30 10 IJEE NC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1Br 1874637612 JACJJBKVWNUCJF-ORCRQEGFSA-N 429.097 4.516 30 10 IJEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 1874698241 NCAJOGPNUMAKRB-QLKAYGNNSA-N 433.416 4.727 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875084851 CNJUPNSAESIZAY-JLHYYAGUSA-N 432.388 4.547 30 10 IJEE C=C(F)CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883384979 RWHXPKITDZYXLC-FQEVSTJZSA-N 429.513 4.973 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1944716912 IELADBAKNVLOSN-OALUTQOASA-N 431.533 4.728 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]1C 1947964386 WBHRNZLYBGWPSR-WAIKUNEKSA-N 431.533 4.728 30 10 IJEE Cc1cc(C#N)cc([C@@]2(C(=O)O)C[C@@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1952772843 QCRXNHUQWIXCOO-IGKIAQTJSA-N 438.483 4.500 30 10 IJEE C[C@H]1CN(c2cc(Br)cc(C#N)c2)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297155 PTPBFLFSKKBNBR-IYBDPMFKSA-N 428.330 4.557 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cc(Br)ccc1F)C1CC1 2033813318 OAXSZNAPBWRXDR-MRXNPFEDSA-N 436.302 4.524 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)NCCC 2065379308 AFDMCMJVXJZKTF-DHIUTWEWSA-N 446.632 4.932 30 10 IJEE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2080025783 RXNHIXABIUDMIZ-QGZVFWFLSA-N 449.336 4.979 30 10 IJEE CC(C)Oc1ccc([C@H](C)n2nc(C(F)F)c(C=NO)c2I)cc1 2080076626 XZLQPBZDCXVWCI-JTQLQIEISA-N 449.239 4.630 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)c1cc(Br)c(C#N)cc1F 2118151747 UDYTVHKNONYRMO-WBMJQRKESA-N 426.330 4.542 30 10 IJEE CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2118198934 MJFIUGQKOQDIMQ-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC[C@@]1(C(=O)Nc2ccc(Br)cc2C#N)CCCCN1C(=O)OC(C)(C)C 2181109658 GZTALFQUCNPVRS-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(Nc2cc(Br)cc(F)c2C#N)C1 2182455397 XNNQLQKUZHWTLF-RTBURBONSA-N 442.304 4.753 30 10 IJEE CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2ccc(Br)cc2C#N)CCC12CCC2 2205736150 JTLVKCMYQHRWSG-MRXNPFEDSA-N 434.334 4.581 30 10 IJEE CCN[C@@H](C#Cc1ccccc1)c1ccc(Br)cc1I 2207259719 NKRGVRVLJQNQSI-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE Cc1ccc(C#C[C@H](O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223327698 BUQHKLJRJVWJLW-RPLLCQBOSA-N 435.564 4.551 30 10 IJEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255704556 JKXAABYEXVSXJK-QGZVFWFLSA-N 436.386 4.779 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCCC[C@H]1CNC(=O)OC(C)(C)C 2262199522 IZHXKYCVQBHZAT-OFVILXPXSA-N 447.572 4.704 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCC2(CC2)N(C(=O)OC(C)(C)C)C1 2262203212 CUXUZEXIWHGUSF-VWLOTQADSA-N 445.556 4.553 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H](N)C#Cc2ccc(Br)cc2)cs1 2278809371 LPGWATUMHSQFCA-IUODEOHRSA-N 436.375 4.543 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296220159 VMLQHTLOXMURBX-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@@H](O)C#Cc2cccc(Br)c2)CC1 2296223544 AXNHAFBMWGFNJT-SFHVURJKSA-N 440.353 4.538 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)C#Cc3cccc(Br)c3)CCCC[C@H]12 2296224205 HWGWZAGSGVHLRG-PGRDOPGGSA-N 432.358 4.940 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC(F)F)NC(=O)OC(C)(C)C 2296305618 WIGGETSGTYBRCN-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C1=O)cn2C 2297639979 YILJYBHEJZGGMR-GOSISDBHSA-N 441.439 4.837 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317345760 YPFIFSHPZGZSPP-ROUUACIJSA-N 430.354 4.551 30 10 IJEE O=C1C(=Cc2ccccc2F)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 2322171092 OMTNAYKXSWQOPD-UHFFFAOYSA-N 441.462 4.713 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccc(Br)cc2)cnn1-c1ccccc1Cl 2322624116 SMDOVDMAMWGDPB-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)cc1OC 2322948504 NSBDHXRHFWGJOZ-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c1C 2323186768 CUBIMOWLEWYPDY-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2Cc2cccs2)c1OCc1ccccc1 2323557091 YQAPIIUXFMLSNU-UHFFFAOYSA-N 436.562 4.689 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1C 2323561537 IQPKZSKCOZXQNS-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC 2323601908 IAUWRHMSTCBUOW-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2323985586 HOEVSEOYFIPOCK-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE CCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2324293685 LXIHVCGNMNUCHM-UHFFFAOYSA-N 449.503 4.834 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2324305749 WFGBDCMRTZDBAS-HNNXBMFYSA-N 433.435 4.857 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)cc3OC)c2)cc1 2325718999 GUSKODCRLVAQFK-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327019587 CONOCVFHBTXIKH-UHFFFAOYSA-N 439.541 4.891 30 10 IJEE CC(C)(C)N1C[C@@H](c2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)CC1=O 2327870228 DYNZABHUZNYVKA-NRFANRHFSA-N 447.608 4.610 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccc[nH]1 2328670235 ARUHDQUJNQVBHK-UHFFFAOYSA-N 431.565 4.883 30 10 IJEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccncc2)cc1 2329312170 LRBPWAWKVDXXHM-UHFFFAOYSA-N 433.512 4.704 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(CCc2ccccc2C)nnc1SCCO 2329523208 VAAQUPYFGOUBNR-UHFFFAOYSA-N 446.576 4.500 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccs1 2329608513 CNXNAESWGBJTTA-UHFFFAOYSA-N 434.974 4.834 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1cc(OC)ccc1OC 2329741073 VGBIWWVHKBXYPW-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(SCCCO)nnc2[C@@H](C)c2ccccc2)cc1 2330133212 TXBWHXSSXXVAAB-IBGZPJMESA-N 437.613 4.633 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)[C@H]1CCCO1 2331834616 IXNLNOBOTGNYGU-OAQYLSRUSA-N 430.884 4.728 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339603453 AKMUKVYTYHUHFF-QFQMRYFISA-N 444.381 4.751 30 10 IJEE C#CCN(C[C@@H](NCCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2365242101 VYZAYXROTNXEPA-GOSISDBHSA-N 439.394 4.677 30 10 IJEE Cc1sc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c(C#N)c1C 9297808 ZGWKILGREWNUOQ-UHFFFAOYSA-N 447.626 4.792 30 10 IJEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CNCC(=O)OCC 16042067 TXNXNEYQTWNEIP-KPAGWKSRSA-N 445.600 4.817 30 10 IJEE biogenic CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C2 21250659 DCZPITIAFRCRBN-RXVVDRJESA-N 449.547 4.885 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OC)c2)c1 33429689 QLMJEIFIDDARLT-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE C=C[C@@](C)(CCC=C(C)C)c1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@@H](C(C)C)N2C 33650135 KISDGNGREAJPQR-FESMNKHTSA-N 437.628 4.852 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(Cc1cccs1)CO2 41650136 BTNUOAKMBVDSFO-NKVSQWTQSA-N 433.485 4.754 30 10 IJEE S=C(NCc1ccccc1)N/N=C/c1cn(CCOc2ccccc2)c2ccccc12 59535754 JTZKMRDNCFNAOV-OVVQPSECSA-N 428.561 4.719 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(CN2CCCCCC2)cc1 60573542 BKORSXYOWFUECS-UHFFFAOYSA-N 436.556 4.869 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2O)S/C1=N/c1ccc(C(=O)O)cc1 100931319 WUJCUXKYTILXSU-RLYGRLLTSA-N 439.537 4.561 30 10 IJEE CN/C(=N\c1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 105534857 ZBTHEYKYPPVSSY-OAHLLOKOSA-N 442.755 4.919 30 10 IJEE CCc1cc(=O)[nH]c(N/N=C\c2ccc(OCc3ccc(C(C)(C)C)cc3)c(OC)c2)n1 169895469 FHQRWNVCSGCMSZ-YSMPRRRNSA-N 434.540 4.663 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccccc1F 170072115 XULJPCISSFZDQO-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2OC)cc1Cl 170126004 LTOIWILIUVZEDM-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143463 SFNAWOJEEJPJDA-JTHBVZDNSA-N 435.520 4.540 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccnc2)cc1 170197479 SUPRJASOGZIWTH-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170221890 KSKSSXMKMPYFIO-JOCHJYFZSA-N 431.513 4.852 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccco2)c1 170296323 UPHXIJHTHYKHEY-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccnc2)o1 170307574 OSGLKBRECNCUND-QHCPKHFHSA-N 428.488 4.640 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170360522 FSGSNHZQWQQFJM-HSZRJFAPSA-N 443.455 4.597 30 10 IJEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 170428598 BLWIQIXNZSIXAH-HXUWFJFHSA-N 440.496 4.959 30 10 IJEE C=CCn1c(SCCCCOC(=O)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 253575250 UJHSOUINHWIHRK-UHFFFAOYSA-N 438.509 4.769 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 410350009 SGNAXESPOIZNMN-UHFFFAOYSA-N 428.532 4.925 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)Cc1c[nH]c2ccccc12 460772130 YLWBRTODNOIWAT-UHFFFAOYSA-N 439.523 4.678 30 10 IJEE C=CCc1cc(CNCc2nc3cc(Br)ccc3n2CC)cc(OC)c1O 483515625 WOJBAVXJTVBFKG-UHFFFAOYSA-N 430.346 4.551 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1 486992685 CVYNAGJDLIKXHR-UHFFFAOYSA-N 428.945 4.914 30 10 IJEE C=CCN(C(=O)c1ccc(Br)cc1Cl)c1nc(C(=O)OCC)cs1 501939544 DEOPDTAPVLSADA-UHFFFAOYSA-N 429.723 4.569 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2cccs2)C1 508794532 LFFUUCDFKYHOCG-QAPCUYQASA-N 430.961 4.897 30 10 IJEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@]2(CC=CCC2)C1 508826976 KITJLLVNMCQUBD-SANMLTNESA-N 444.583 4.749 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 513578686 DRUMBGAMEBSOMB-QHCPKHFHSA-N 444.453 4.500 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)n1nc(C)cc1C)c1ccc2c(c1)OCCO2 516363490 UQDJJIMPTGXHMH-HXUWFJFHSA-N 447.535 4.630 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cc(OC)ccc2OC)cc1 526485656 GJTAGDORNBRTRW-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccc(C#N)cc2)cc1OC 526822034 CVXVEHCSOCKRFX-MSXFZWOLSA-N 441.944 4.693 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)nnc1-c1ccco1 541314710 KKYGOGFXFFVJLT-LJQANCHMSA-N 436.581 4.839 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@]2(CCCOC2)C1 555289707 YSOPHHCNAHFSLI-CPJSRVTESA-N 440.588 4.790 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCc1ccccc1)Cc1cccc(C#N)c1 586160484 UVUSEYPGFRIVCF-UHFFFAOYSA-N 434.561 4.617 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cc(C)ccc2C)c1 586246961 XUCNLDFAKDIXNF-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE CCc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(OC)ccc1OC 586249515 OXDMWCAPGPXFDY-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE CCOc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2cc(C)ccc2C)cc1 586294484 DFXIIYVTWWSQGV-UHFFFAOYSA-N 434.517 4.610 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 609319073 MCGJHEJQYLCFJJ-UHFFFAOYSA-N 437.525 4.992 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1 742215349 VSKVSFOIGIKAJK-QFIPXVFZSA-N 433.577 4.986 30 10 IJEE N#CCOc1cccc(NC(=O)N2CCC[C@H]2c2ccc(I)cc2)c1 743104207 YTGSZSNRWLXMSN-SFHVURJKSA-N 447.276 4.563 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccc(OC)cc2)s1 744029938 XRAFNEPUKPRWCS-IBGZPJMESA-N 433.533 4.905 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1(c2cccc(C)c2)CCCC1 744925570 IAQZVQXITIEDAA-HXUWFJFHSA-N 434.536 4.694 30 10 IJEE C=C(C)CNC(=S)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 752780438 NOBDABRTWZBKRY-LJQANCHMSA-N 433.577 4.701 30 10 IJEE C#CCN(C(=O)c1cnn([C@H](C)CC)c1C)[C@@H]1CCOc2ccc(Br)cc21 790636221 ZUMNXWHLSBPFNF-AUUYWEPGSA-N 430.346 4.524 30 10 IJEE C=CCn1c(SCC(=O)c2ccc3c(c2)CCN3C(=O)CC)nnc1-c1cccc(C)c1 915993217 BTQVKGSRIKJDMO-UHFFFAOYSA-N 446.576 4.714 30 10 IJEE COc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C(=Nc3ccccc3)S2)c1 1084109214 RLOXOLOMXSCPHH-QFIPXVFZSA-N 445.544 4.856 30 10 IJEE CC(C)c1nnc([C@H](C)Sc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)o1 1084228247 YINIGGLTIJVJCE-VIFPVBQESA-N 426.333 4.917 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1143475084 YXFPPMHMLHZHTQ-RBUKOAKNSA-N 440.943 4.629 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1)c1ccccc1 1151314685 OCWCDUUNJLNSLL-QHCPKHFHSA-N 432.545 4.599 30 10 IJEE C#C[C@H](N[C@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)c1ccc(Cl)cc1 1182152547 PAMYYIKJQSOZSZ-ACJLOTCBSA-N 432.973 4.876 30 10 IJEE N#Cc1ccc(NC(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)cc1F 1219030511 BBGKGHAUNBYKRT-UHFFFAOYSA-N 430.483 4.630 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2OC)C1)c1ccc(F)c(F)c1 1234565776 GYZVKQCDTNYIFB-VGSWGCGISA-N 443.494 4.651 30 10 IJEE C#CCN(C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1252146165 AXGAYNURLJXWRP-QFIPXVFZSA-N 427.589 4.794 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)[C@H]2C)c1 1265428307 LXIFMIHEKYJJEG-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE C=CCC[C@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1266462455 LDPGMWTUORVDOM-FQEVSTJZSA-N 427.426 4.898 30 10 IJEE Cc1c(C#N)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1 1270182751 AEOJHWBNSPLISQ-NRFANRHFSA-N 439.943 4.954 30 10 IJEE C=CCOc1ccc(CC(=O)OCc2ccc(OC(F)F)c(Br)c2)cc1 1273528259 GILISGLGDSUTLX-UHFFFAOYSA-N 427.241 4.901 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1286342675 RNEYSNUNQGUDOZ-CJFMBICVSA-N 440.588 4.626 30 10 IJEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC2(CCC(F)(F)CC2)C1 1286357570 LHJUQTWMACMKQT-UHFFFAOYSA-N 432.490 4.815 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCN(C)C1CCCCC1 1286445890 CPIUDSUVJXWFPX-UHFFFAOYSA-N 428.024 4.636 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](OC)C(C)(C)C 1286450919 NPBKPZMJQOMOEY-NRFANRHFSA-N 426.605 4.675 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286591217 GEYHIWFRJXRKSU-IBGZPJMESA-N 448.571 4.563 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCSC2(CCCCC2)C1 1286594981 VPUICJXBBAPXOQ-UHFFFAOYSA-N 426.630 4.904 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCOC(C)C)CC1 1286640049 GGKBTIDQORRKNN-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cccnc2OCCC)CC1 1286648043 BNESYZAEGZGVSQ-UHFFFAOYSA-N 433.556 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCSC2)CC1 1286653852 CDWVUASTCCSOHM-GOSISDBHSA-N 428.602 4.508 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(F)(F)CC1)c1ccccc1 1286677854 LCASROSEJYFGHF-LJQANCHMSA-N 445.558 4.792 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1286694904 JWMJPJAXBSBLKS-QUCCMNQESA-N 428.552 4.776 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc(CC)n1)C1CC1 1286738873 HAFGDVPMNFZYHM-UYAOXDASSA-N 429.634 4.613 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1286826122 XCNSYPLEBTYKRX-ZBFHGGJFSA-N 438.439 4.970 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1286830808 VAUXBKKQXBUNOE-GJZGRUSLSA-N 433.419 4.862 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286833002 SLJLWTSNUJMQGJ-HXUWFJFHSA-N 434.556 4.711 30 10 IJEE COc1ccc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)n[nH]2)cc1 1291769302 AIZGJRNONWGNSW-UHFFFAOYSA-N 440.478 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCN(CCC)CC1 1300325320 XRLYIYYMKKHBJX-SFHVURJKSA-N 446.064 4.804 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1300391551 AXPCLULFSBRVJT-QGZVFWFLSA-N 426.870 4.560 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1300423870 XGVLDUWEGRNXPL-VQTJNVASSA-N 431.005 4.785 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1300801657 TYYQIIQFFHYIQP-KDYSTLNUSA-N 442.611 4.770 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1300935717 ZSWWOLAMASNMGO-MRXNPFEDSA-N 441.929 4.885 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1301074519 ANCWQDRUCIWCLN-SFHVURJKSA-N 425.577 4.571 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCn2ccnc2C)CC1 1301097265 TZVUWCTYNLFZHL-UHFFFAOYSA-N 428.993 4.585 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2=CCCCC2)CC1 1301112392 UPYXBNHRWIZKQE-UHFFFAOYSA-N 440.613 4.642 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 1301199206 YTUGFKHWPIOVCG-UHFFFAOYSA-N 433.478 4.864 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 1301261079 BBYKHJKXLAPSDY-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1301297854 HGRWBKHCRHWMLS-HXUWFJFHSA-N 443.542 4.895 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1301333740 ADKVZVCWMMRYHZ-KSEOMHKRSA-N 443.680 4.862 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@]1(C)OCCc2sccc21 1301338394 XPXLLDDKXTZVNP-DEOSSOPVSA-N 438.597 4.591 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)C(C)C 1301405721 JIBNQSJKIWJXNX-QHCPKHFHSA-N 428.964 4.834 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC=CCC1 1301414813 JFSZKVHJQKBMCR-MRXNPFEDSA-N 449.368 4.842 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1 1301947546 YQUBTSSCGVNAJR-FXAWDEMLSA-N 426.561 4.519 30 10 IJEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1306702584 HZJCWSUUUVOKEY-QGZVFWFLSA-N 427.961 4.910 30 10 IJEE CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc(Br)cc1C#N 1307945140 AKNFNNUFNDYDCV-FQEVSTJZSA-N 427.342 4.762 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cn2)c(C(=O)OCC)c1C 1352793802 WZFMSNJLQLJQFC-UHFFFAOYSA-N 430.526 4.521 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C 1353386439 GDWGOANFUJJTEP-QFIPXVFZSA-N 430.589 4.726 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 1355494394 SLRUPPIKHYCGSN-UHFFFAOYSA-N 444.597 4.588 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1sc(C)nc1C 1358878438 WQGYBUWIILXJHD-AWEZNQCLSA-N 425.627 4.855 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[C@@H]21 1358907858 DIMBIJCITAJILE-AEFFLSMTSA-N 429.362 4.508 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CCc1cccs1 1358921649 FMKUEIVXHIVJSN-UHFFFAOYSA-N 430.581 4.879 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(CCOC)CC1 1358971266 OHWZVQFDCIWZQM-UHFFFAOYSA-N 438.984 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](OC)C(C)(C)C 1358986331 UUOYINOSUTYYAY-GHTZIAJQSA-N 442.991 4.596 30 10 IJEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1359025531 RJVISXMNRRXXAC-LJQANCHMSA-N 440.485 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccccn1 1359074656 MIXGKLAOZYUMAE-NYUJMHJJSA-N 435.616 4.562 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1359124405 BOSYNDMLNPIVAC-SFHVURJKSA-N 442.560 4.819 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 1359161417 CCJLGUATFFUVNZ-UHFFFAOYSA-N 431.874 4.800 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1359175979 HVTWKHBBDDPFOT-CQSZACIVSA-N 444.992 4.608 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359200461 HADXIVDNJQNXFJ-UHFFFAOYSA-N 436.478 4.658 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1359261660 QICQINJGQHNSLZ-ZRCGQRJVSA-N 441.595 4.582 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nnc(C)s1 1359268466 RGQDYXDRQACSPE-UHFFFAOYSA-N 426.615 4.662 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCC1 1359275398 SUJHXQJMFATDQY-UHFFFAOYSA-N 437.975 4.534 30 10 IJEE C=CCn1c(N2CCC[C@H]2c2ccccc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290554 GLOWPVOPDWHFBN-ZVDOUQERSA-N 437.588 4.885 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(Cl)c(OC)c2)C1 1359316276 LRJMWWYIVORBLW-GOSISDBHSA-N 442.947 4.533 30 10 IJEE C#Cc1ccc(C(=O)Nc2cc(-c3cccc(Br)c3)sc2C(=O)OC)nc1 1434889864 FGFLJUHICVOFCN-UHFFFAOYSA-N 441.306 4.593 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)C(C)(C)C)cc1 1435953127 GFNRUQBDVOPCEI-DEOSSOPVSA-N 438.568 4.655 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(C(=O)OC)cc3cccnc23)s1 1439622142 FFKJTQBIBLTHHE-UHFFFAOYSA-N 447.969 4.812 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1439896481 YLQSNTPJJMQAPE-UHFFFAOYSA-N 434.989 4.589 30 10 IJEE C=CCc1cc(CNC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc(OC)c1OC 1442516814 HIAHXHGDQPNNJE-UHFFFAOYSA-N 429.516 4.902 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3)CC2)C1 1455714709 GHJTZDNHJYBUIP-JOCHJYFZSA-N 436.621 4.908 30 10 IJEE Cc1cc(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)nn1-c1cccc(C#N)c1 1456583253 HVOQQHNNMPYCQK-AREMUKBSSA-N 436.515 4.740 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1ccccc1 1462500064 AXTVDKDUOKAYBZ-HSZRJFAPSA-N 426.582 4.735 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 1465199607 QKDPQSISKYUEEV-ZDUSSCGKSA-N 440.821 4.741 30 10 IJEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl)C(C)(C)C 1468598752 WCNNSEMGROVTRV-HXUWFJFHSA-N 432.973 4.535 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(C)cc(Br)c1N 1468866560 DQTUGLYKZCRSDF-UHFFFAOYSA-N 440.135 4.919 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)C1 1469643431 QSDWWAXLQXOSFZ-GFCCVEGCSA-N 434.161 4.580 30 10 IJEE C=CC[C@@H](C)Sc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1 1472909909 BQCVHPVEIZSRDA-QGZVFWFLSA-N 441.622 4.514 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 1473163558 KTQPYXSKEUHPEQ-JPYJTQIMSA-N 447.595 4.698 30 10 IJEE C#CCN(Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CCOc2ccc(Br)cc21 1473168078 MRVPWPFHPHHJNQ-SFHVURJKSA-N 445.313 4.715 30 10 IJEE CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc(Br)c1C#N 1474888377 HPXOXKRYVBUQNQ-UHFFFAOYSA-N 447.276 4.550 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1ccc(Cl)cc1 1476461840 KBXBZPUSERLETM-GOSISDBHSA-N 443.732 4.843 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@@H](COCCC)Cc1cccc(Br)c1 1478476165 XOKSNMPNMQVCLV-JOCHJYFZSA-N 443.385 4.632 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1507520025 MDMVHJSGTCOCNS-WXJXEWBDSA-N 444.627 4.770 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507809322 SSOQLRIROJHANI-SUWCGCSTSA-N 430.980 4.584 30 10 IJEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(CCC)Cc1ccc(F)cc1C 1507864183 SLLUKJWHYIELLL-UHFFFAOYSA-N 445.926 4.622 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC=CCO2)CC1 1507896827 LVKMZTRFQDQKOQ-LAUBAEHRSA-N 428.964 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 1507911115 IPCFLCTXASMDPF-NRFANRHFSA-N 436.387 4.556 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(OCCOC)CC1 1507941667 IGWDPMRDZRDSOO-SFHVURJKSA-N 444.645 4.729 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ncc(Cl)n1C 1507947041 YJFKNSZSWAZQDU-UHFFFAOYSA-N 437.935 4.590 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C(C)C)cs1 1507971292 RCRBYOOTWDZUJD-UHFFFAOYSA-N 432.391 4.958 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@@H](c1cccs1)N1CCCC1 1507999414 MRRKCNQEETZCHN-QFIPXVFZSA-N 446.624 4.803 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCn1cc(Cl)cn1 1508012484 YCJVYJVPHHOZRL-UHFFFAOYSA-N 437.762 4.980 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1508168353 UVWCJVBPRNLTLF-YJBOKZPZSA-N 449.418 4.528 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 1515169899 SJAUNRDFGWUKGL-UHFFFAOYSA-N 446.341 4.706 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2OC(C)C)cc1C#N 1519542589 AKNHTPGIMOLAML-UHFFFAOYSA-N 446.301 4.929 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)c1ccc(F)c(F)c1 1523232716 OICXQPZNWAUVLH-JOCHJYFZSA-N 429.394 4.683 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)n2)cc1 1523936765 HXTRKHGRFCLIBN-QFIPXVFZSA-N 425.517 4.670 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 1524135632 GBGBMAOSBOREFD-BJKOFHAPSA-N 445.544 4.516 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(-n4cnnc4)cc3)cc2Cl)cc1 1527788417 AIKZYMKRUFWECQ-UHFFFAOYSA-N 429.867 4.766 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(OCc2noc(C)n2)c1 1528006872 VLSSVMUCMJTFRJ-UHFFFAOYSA-N 444.285 4.537 30 10 IJEE CC(C)(C)c1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)n(-c2ccc(C#N)cc2)n1 1532371044 IDEXDEOHUDXVSR-UHFFFAOYSA-N 446.536 4.724 30 10 IJEE C=CCC1(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OCC)CCCCC1 1532896933 MMWZZACBVCEGAT-UHFFFAOYSA-N 446.547 4.890 30 10 IJEE C=CCC[C@H](C(=O)N1CCC(Cc2nc(C(=O)OCC)cs2)CC1)c1ccccc1 1533771954 ILERAAXNDDVNFF-FQEVSTJZSA-N 426.582 4.851 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1535364775 HRVNAPKWWFHJRN-FYYLOGMGSA-N 442.600 4.822 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1539059602 RWPZMRGBAVPEMY-RUZDIDTESA-N 440.588 4.550 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1539512347 BZFUYVOYGCNVFL-UHFFFAOYSA-N 445.514 4.502 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1539599420 FFSIQHOMHBGOQZ-CTNGQTDRSA-N 447.421 4.989 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1539758531 OHSQLRPAWMLBEL-JOCHJYFZSA-N 426.580 4.812 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1539905740 GGXWDKWOQSAHSC-GOSISDBHSA-N 444.645 4.823 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1cccc(N(C)C)c1 1540146414 GEWGVXZOMJQQKM-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE C=CCC(CC=C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1540716030 NGWKEWMILLCGDR-BOPFTXTBSA-N 439.364 4.914 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](c2ccccc2Cl)N(C)C)o1 1542292628 CDDFMODEUWQRAP-BEFAXECRSA-N 426.952 4.541 30 10 IJEE C=CCn1c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 1559311621 BFZVSVMVMOWXMT-UHFFFAOYSA-N 435.864 4.584 30 10 IJEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cc1 1584393460 ARDRDXCYGMISTD-WMZOPIPTSA-N 446.469 4.935 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1585640757 BHUSUZUCPOWWQV-MRXNPFEDSA-N 443.469 4.649 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C1 1587045005 ZRMUYQZJZUKDSQ-QFIPXVFZSA-N 431.536 4.539 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(SCC)c1 1587677928 NEKADDQAOUXXAC-IOMROCGXSA-N 426.630 4.815 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N(C)Cc1ccc(Br)o1 1587872626 OIUJLFGHEHEVRI-UHFFFAOYSA-N 441.373 4.859 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(OCC)CCCC1 1588185710 KQZDCGALQJLQQU-UHFFFAOYSA-N 441.579 4.614 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCN(CC(C)C)C1 1588271480 JVTMSPWIGIBYFF-QHCPKHFHSA-N 433.644 4.576 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1589721983 KFBHYGSJHBNXEN-RDJZCZTQSA-N 426.362 4.994 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCCC2)C1 1593630790 OMMYKKJKRZHEOL-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCCC2)C1 1593630797 OMMYKKJKRZHEOL-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@H]1C 1593718007 NWFAFTKKHFYINC-HZPDHXFCSA-N 449.393 4.544 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1C[C@H]1SCCc2ccccc21 1594559878 SFNCEDWXYQAONI-JOCHJYFZSA-N 434.613 4.948 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cccs2)CC1 1594635653 YMQLCQYYMNOZGD-UHFFFAOYSA-N 443.567 4.892 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1594679662 HDKPALUGOLJMCB-GBESFXJTSA-N 430.980 4.901 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1CC1(N(C)C)CCCCC1 1595134305 YJLZNPZVEJCQHY-UHFFFAOYSA-N 425.596 4.827 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CCc1nc(C(C)(C)C)cs1 1606965901 AXFCFYJQYHADML-GOSISDBHSA-N 444.649 4.545 30 10 IJEE COc1nc(C/C=C(/C)C/C=C/C(C)=C/[C@H](C)[C@H](O)[C@@]2(C)O[C@H]2C)c(C)c(O)c1OC 1615671814 CEBWOMXCEYSUQN-XYUCODGJSA-N 431.573 4.669 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccn1-c1cccc(I)c1 1617458856 OQLCFVZKQBKEAE-QAPCUYQASA-N 434.321 4.947 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)c2C#N)C1 1618076222 CINICOHNCXGEAY-PLWAMTLXSA-N 443.657 4.725 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)c1ccccc1 1618128607 HXJFOLNUOYXVAL-LJQANCHMSA-N 433.415 4.905 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1 1618174384 WOSKPWIQIXJCPS-FZKQIMNGSA-N 429.567 4.821 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 1623686057 AUEIWFYNOLJSQY-QFIPXVFZSA-N 440.515 4.583 30 10 IJEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)CCCCC1 1626676036 ORFOTLSMWABKPY-UHFFFAOYSA-N 444.984 4.621 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3C[C@@H](C(=O)OC(C)(C)C)c4ccccc43)cc2n1 1627664107 CZWAGAWYUQBCNV-IRLDBZIGSA-N 432.524 4.914 30 10 IJEE C#C[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 1628629236 ZJQABHKSUZPCNU-SFKKXYGYSA-N 437.326 4.752 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccc(Cl)cc3F)C(C)C)ccc2c1=O 1632615593 NYYLZLDGANIHPB-LJQANCHMSA-N 445.947 4.791 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@@H](C)CCc2ccc(I)cc2)C1 1634918673 LSPSVISXCYLHDU-RDJZCZTQSA-N 426.342 4.610 30 10 IJEE C=CCC[C@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1635342711 HRMJJJBGUGWANQ-GOSISDBHSA-N 441.369 4.973 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1O 1641354128 QORQMGCKXQUZMM-ZHRRBRCNSA-N 438.524 4.526 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 1644732734 DAWUSWWHNKXVDU-GJZUVCINSA-N 437.653 4.639 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(c3ccc(C#N)c(Br)c3F)C2)C1 1651785127 URFDLXZWHSKPJW-FQEVSTJZSA-N 438.341 4.687 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 1653814783 GNEAXOLFGAJXJO-LJQANCHMSA-N 428.323 4.907 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@@H](N[C@@H](CC)CC#N)c2ccccc2)sc2c1CCCC2 1654660983 DELLXULLSYWMME-UWJYYQICSA-N 439.581 4.765 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(C(C)C)C2=O)nc2scc(-c3ccccc3)c2c1=O 1656067200 NIGKEQNCSAYBNF-GOSISDBHSA-N 439.606 4.803 30 10 IJEE C#C[C@H](NCc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccc(Br)cc1 1659303961 CUQDYRIEOHXSLM-KRWDZBQOSA-N 448.361 4.661 30 10 IJEE C=CCOc1ccc(CN[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1OC 1662536107 GBCYANHSPAVYHA-CUNXSJBXSA-N 449.522 4.940 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2C[C@@](CO)(c3ccccc3)C2)cc1OCC 1663337596 LMJNNCCIXIYHBT-OKDJAKQTSA-N 446.385 4.595 30 10 IJEE Cc1c(S(=O)(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)sc2ccc(C#N)cc12 1663516140 AFRGPYTUQFFLSH-OAQYLSRUSA-N 441.622 4.516 30 10 IJEE C=CCCC(C)(C)CNS(=O)(=O)c1c(Br)cc(F)cc1Br 1670801794 POZKXIVPVBRARK-UHFFFAOYSA-N 443.176 4.621 30 10 IJEE CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 1671214361 GNZPXTVSJYJARN-OAQYLSRUSA-N 441.373 4.695 30 10 IJEE C=C(C)[C@H](NC(=O)N(Cc1ccccc1OC)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 1671852091 QEQXIQGFOXKDNH-CVDCTZTESA-N 430.495 4.981 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1(c2ccc(F)cc2)CCOCC1 1672210139 PEULNRRYWJSAEF-UHFFFAOYSA-N 449.320 4.980 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 1672210578 YEFMLCXBSZLZOB-CYBMUJFWSA-N 448.317 4.631 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2 1673581996 MWSLFNOWUGIYID-NRFANRHFSA-N 427.589 4.749 30 10 IJEE C=CCCC1(CNC(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CCCC1 1675616501 LGXFGXVPHGIQRF-GOSISDBHSA-N 443.592 4.849 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 1681266085 DPSNEIJHIDLMJC-BRWVUGGUSA-N 445.423 4.665 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1CN1CCC(C)CC1)c1ccc(Cl)cc1F 1682327911 NHVAYPDMRUTEKF-QHCPKHFHSA-N 427.951 4.885 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 1682689854 HLTLUQPKSLAJSP-SFTDATJTSA-N 427.589 4.795 30 10 IJEE C#Cc1cccc(CNC(=O)N(Cc2cc(Br)ccc2OCC)C2CC2)c1 1683339303 RKHMLWDQRPMGRY-UHFFFAOYSA-N 427.342 4.703 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1)c1ccc(Cl)cc1F 1686923033 VXQWDSNUWJGYHP-GOSISDBHSA-N 431.964 4.763 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1687156691 OYJHPRDCYZZSOW-UQBPGWFLSA-N 443.588 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1689828287 MUZSCGZOLKILCF-OFNKIYASSA-N 444.627 4.998 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(C)(C)C 1690072855 WWEOFBKDHBFPLC-UHFFFAOYSA-N 434.588 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(Cc2cccs2)C[C@@H]2CCCO2)nnc1C(C)(C)C 1690253471 QZGCMSGMARUVTJ-DYXWJJEUSA-N 444.645 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)SC 1690258519 JEBLPQCZOVEVRO-AWEZNQCLSA-N 439.423 4.870 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1690261560 QUACNIWSPRDVQD-VWNXMTODSA-N 446.643 4.987 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCCOC2)CC1 1690404431 DFPPEXJOMZFDQK-MRXNPFEDSA-N 449.368 4.676 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1690414896 PIAMUAYTYFXUEW-RUZDIDTESA-N 435.660 4.976 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1CC)c1ccccc1 1690442430 SGMGKTLWLYEKII-SFTDATJTSA-N 430.556 4.664 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)CCc1ccc(Br)cc1 1690469506 ROJMLHOWYLEJHW-LJQANCHMSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690474191 VDAQQOUNARSEOS-JKSUJKDBSA-N 449.368 4.676 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)[C@H](C)CC 1690576392 ZHKBTYCAVFGPAV-HOYKHHGWSA-N 435.597 4.868 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(O)cc1 1690586759 UIZAZZBSOCEWAX-UHFFFAOYSA-N 445.386 4.896 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1690747160 UWZWHEJGTPCFJI-NRFANRHFSA-N 433.710 4.734 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1705625581 PJAQAHXXZIHIHD-NHCUHLMSSA-N 437.607 4.693 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2ccsc2)CC1 1705687749 JBSBFAPKZWHREX-MRXNPFEDSA-N 437.407 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCC(=O)N1CCCCCC1 1705712977 OFJBFFRANGEQMV-UHFFFAOYSA-N 435.572 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCn2ccnc21 1705720001 SZBBMRNEZRRLHP-OAQYLSRUSA-N 434.588 4.650 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1N1CCCC1 1705731924 IRVNTFWNNNSYSJ-UHFFFAOYSA-N 435.572 4.676 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705815529 ZLQLFJXRJOLCAA-FQEVSTJZSA-N 446.599 4.591 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCN1CC 1705866406 PNPUOFSZNIYBRD-HXUWFJFHSA-N 436.629 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(C#N)o1 1705867643 RQGNHRADWFGDOD-UHFFFAOYSA-N 445.548 4.933 30 10 IJEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)Cc1cccs1 1706427241 HLHLNRSEGJXPAX-XXBNENTESA-N 449.624 4.866 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CC1CCN(Cc2cccs2)CC1 1706745499 BLZRNSNDPGRPLR-IBGZPJMESA-N 434.613 4.657 30 10 IJEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CCC)CC1 1709587586 AZDUKCOTFGIASL-DHIUTWEWSA-N 448.615 4.653 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1712014578 CJFLEBMOGKMOJT-AKHDSKFASA-N 443.617 4.521 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1722311324 FKMYMHLLTGWPKU-HSZRJFAPSA-N 430.980 4.806 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[C@H]1CCCCO1 1722421940 SYPBJYPYAZFQNS-HSZRJFAPSA-N 438.616 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCN1CCCC 1722467760 FKBHQXJKURCBGG-ATIYNZHBSA-N 435.616 4.600 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)C)C1 1722477741 KZQNDXOFVNXVPW-QGZVFWFLSA-N 446.393 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)C1CCCCC1 1722503568 VWBRPJYQSSVFGZ-QHCPKHFHSA-N 427.549 4.587 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)C1CCCCC1 1722510547 SKLVEDQEXXIKHR-PGRDOPGGSA-N 429.634 4.774 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C)=C(Br)C1 1722521153 BAOTXPZPLLZYNE-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722528437 IKUIBKXWWNAYSH-LJQANCHMSA-N 426.517 4.520 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1722547367 GLBGAMGRFCZISV-DNVCBOLYSA-N 430.961 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](c3ccccc3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1722593548 VPYJXXATWRRPMU-HXAGEGRHSA-N 438.616 4.915 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1cccs1 1722657711 LKTTYRABICIDBL-VWLOTQADSA-N 445.592 4.810 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)coc1C 1722662280 IBBDSUKVFQCMPC-RXVVDRJESA-N 442.585 4.514 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2CCCCO2)c1 1724542095 CDZXQHIVCTYILW-QFIPXVFZSA-N 437.588 4.645 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1727712679 FZNATNUZKIIRPD-ZEQRLZLVSA-N 448.659 4.986 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCCC1(C)C 1740540390 JJKZNWKJRDTCFS-SIBVEZHUSA-N 448.567 4.516 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740568742 OINSCBIZEYIPHK-LPHOPBHVSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1740570903 KRROBAVZCRAAOL-HXUWFJFHSA-N 444.366 4.961 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1csc([C@@H](C)OC)n1 1740677745 ZYBCBRASDBTGAT-MRXNPFEDSA-N 439.560 4.537 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1740737947 AGPMHHBXMFMOQF-ZFWWWQNUSA-N 438.167 4.605 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1740784515 WJTSATDTDYTENN-UHFFFAOYSA-N 445.633 4.732 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)C1 1740788948 ZWKCNRVSQWOGBA-QUCCMNQESA-N 430.618 4.569 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740813872 IWSQHYGERNUCBX-UHFFFAOYSA-N 446.964 4.710 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN(CC)C2CC2)CC1 1740824611 PLVKTRFAJNTRMM-SFHVURJKSA-N 429.996 4.712 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCC)CC1 1740826325 GJURMUPCKZTCDP-UHFFFAOYSA-N 437.975 4.911 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H]2C)CC1 1740842810 MGWHWUSZYFEBDN-ZIBCJSCZSA-N 443.636 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1740852323 LNUGRNHRUZUUBT-UHFFFAOYSA-N 432.996 4.558 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740860254 XRZXNAFJAFSTAC-UHFFFAOYSA-N 429.572 4.595 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1740874370 AYKPHZWFUJYRPS-QFIPXVFZSA-N 435.547 4.939 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@H](C)N1CCC[C@H](C)C1 1740915775 RYAXBAIAKBMXAS-LEWJYISDSA-N 425.621 4.723 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)c2nc(C)cs2)C1 1740974613 GQOQVBHIHPDYEZ-DYESRHJHSA-N 437.613 4.857 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(OC)CCCCC2)C1 1740974626 GURIOULMRQFKLY-GOSISDBHSA-N 448.970 4.868 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(C)CCCS2)C1 1740986370 YXSMGPWDTNWBJV-WMZHIEFXSA-N 444.670 4.946 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCC2)c1 1748674059 OFVFRARLXMGXIS-GOSISDBHSA-N 449.986 4.745 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCCC2)CC1 1749330512 FOIWLDAAQBJFJF-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1749359810 QYFUAWNUTWOBQY-UHFFFAOYSA-N 444.583 4.798 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1749433451 KNCMTTMYACIYGS-CTNGQTDRSA-N 442.677 4.691 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1749456525 HJAIIWRUYYNEHT-OAQYLSRUSA-N 430.980 4.760 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)N(C)C 1749538438 IWUXVSXWLUAKFB-HSZRJFAPSA-N 446.624 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CC1(SC)CCN(C)CC1 1749552799 BCFWYIZSRLWMAX-UHFFFAOYSA-N 433.691 4.558 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1csc(Br)c1 1749751329 QKBMFYVNLHVKPY-UHFFFAOYSA-N 438.420 4.653 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCOC(C)(C)C)c1cccnc1 1750587009 CXQDVUHBVQFWEE-QHCPKHFHSA-N 446.599 4.903 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC(C)(C)[C@@H]1C 1760149938 TWKAKCGBRJPSSM-IBGZPJMESA-N 434.540 4.534 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(CCOC)CCCCC1 1760163551 WFZKMMKZHOCKOZ-IBGZPJMESA-N 428.552 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@H](C)Cc1cccs1 1760223224 PGSJFNQAAAHLJI-OAQYLSRUSA-N 432.593 4.569 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1Cc1ccc(OC(C)(C)C)nc1 1760241168 QURJVWMYSAGRRU-UHFFFAOYSA-N 433.531 4.555 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCSC1(C)C 1760241593 DSBDPPSAIGJBRT-CTNGQTDRSA-N 442.604 4.830 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccccc1OC(F)(F)F 1760338627 NTSQFXWWQOUPAV-UHFFFAOYSA-N 431.462 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1Cc1ccccc1 1760339237 ARJWJNGBALNZAB-QHCPKHFHSA-N 435.641 4.997 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)(COC)CC1 1760347826 AWEILTHXQVHMPH-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2F)CC1 1760397790 BYCHPXWTOHUXDV-UHFFFAOYSA-N 430.325 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@](C)(OC)CC1 1760416139 VLSWGJADBDEPAI-DEOSSOPVSA-N 430.568 4.994 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCOCC1)c1ccccc1 1760419989 HFOGGHMJDUWIOY-DNVJHFABSA-N 438.616 4.783 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760423911 PYYFYPWXKRJJJU-QGZVFWFLSA-N 441.967 4.500 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1760434612 HGMCHVGAIYOILB-UHFFFAOYSA-N 434.943 4.826 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760446090 HDIWFWPTEKPONG-NLWGTHIKSA-N 444.645 4.585 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCSC1(C)C 1760490457 XJLAFZNGJCDDLJ-LJQANCHMSA-N 439.629 4.857 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC[C@H]1CCOc2ccccc21 1760496517 XLZBUMKBTTXTEL-IBGZPJMESA-N 435.597 4.769 30 10 IJEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCC(F)(F)C1 1763655451 MICAAUITUHWETE-CVEARBPZSA-N 444.530 4.542 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC1CCCC1 1770536889 GQIYVGRLKYWGCQ-HSZRJFAPSA-N 443.592 4.991 30 10 IJEE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C)nc2C#N)cc1C 1772721888 FIIWQUAAPSCDFA-UHFFFAOYSA-N 426.480 4.861 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1858867777 ZNJHOBDULUYSFK-UHFFFAOYSA-N 429.314 4.552 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862416330 NCCPXFZZPOWQKK-KRWDZBQOSA-N 425.353 4.970 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862478466 IBIORTCKPWHTPZ-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862506098 JCBDSMDVCZHVSH-FQEVSTJZSA-N 426.444 4.811 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1)c1cccc(Br)c1 1862527182 RDWHNTKVDBRDNS-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(=O)O)cc1 1862546852 HIHMHYCBHKDWIP-HSZRJFAPSA-N 447.531 4.888 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)cc1 1862569070 FIJBHWUKDJEOFO-XCLFUZPHSA-N 429.900 4.734 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(O)c1 1862660978 ALFADDILJKUBAV-HSZRJFAPSA-N 437.536 4.909 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862678560 OGVZJOFAQHUGJH-HSZRJFAPSA-N 449.526 4.617 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC)cc1OC 1862682837 DCUHIXRRRPIEMQ-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(c2ccc(Cl)cc2)C1=O 1862859191 AXXKTIXIBQGFDA-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCC)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863384161 NNYTZDAKRSUGGS-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(F)cc2F)C1=O 1863656904 ATHZZKNJUSCDGR-UHFFFAOYSA-N 436.543 4.812 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1cccs1 1864491407 BSULXSSYYGOGFK-HXUWFJFHSA-N 444.645 4.996 30 10 IJEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1cc(O)c2cc(Cl)cc(Cl)c2n1 1866538772 AKJDBRYKOJUYOW-UHFFFAOYSA-N 442.237 4.696 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCOCC3(C)C)n2)cc1 1868535813 ZUPDSCYAFMHGSI-UHFFFAOYSA-N 429.524 4.773 30 10 IJEE Cc1cc(OCCCC(=O)Nc2c(C#N)nnn2-c2cccc(Cl)c2)cc(C)c1Cl 1870145192 WMGMKPGCYBVUPJ-UHFFFAOYSA-N 444.322 4.860 30 10 IJEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(OCC)cc1 1870806738 XIVSIRZALKVVQZ-UHFFFAOYSA-N 438.499 4.772 30 10 IJEE Cc1c(OC(=O)N2CCOCC2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871362870 PMMTYYNAOSMVRZ-ZDLGFXPLSA-N 434.275 4.749 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3C2=O)c1 1871454168 JJBJEEPDJXDGFS-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872149489 DHRBSUIIQATAQP-CVDCTZTESA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)C(C)C)S(=O)(=O)c1ccccc1 1872172350 FSVRCZHRBYDFNV-HSZRJFAPSA-N 444.597 4.706 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872209990 STYNGAIOZYJFSF-HSZRJFAPSA-N 428.598 4.997 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1=O 1873006387 FZLFUUHUBREVIL-HXUWFJFHSA-N 425.573 4.743 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccccc2C)C1=O 1873103425 GEAJVNWACUNNNS-UHFFFAOYSA-N 448.563 4.954 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(-n4cccc4)cc3)C(=O)N(C3CCCCC3)C2=O)cc1 1873199501 GCVROLAWFKCQJR-UHFFFAOYSA-N 436.515 4.874 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SC)cc1OC 1874262485 BEIWCZMWAGQTEX-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(OC)c1OCCC 1874380813 MDTDRJRTUYOECY-PCLIKHOPSA-N 440.544 4.966 30 10 IJEE Oc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 1874384199 DJNHISYMHOYAIN-AFUMVMLFSA-N 434.496 4.876 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccs2)cc1 1874465356 FFRWQZZUWDPXQJ-LPYMAVHISA-N 437.550 4.775 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(F)c2)cc1C 1874493659 YAIFIVUZAVIFOH-DHRITJCHSA-N 437.544 4.915 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccc2ccccc12 1874533935 JMVTWWQARWVKDE-STPJHCLOSA-N 429.549 4.591 30 10 IJEE CCCCC1CCC(c2nnc(S)n2/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)CC1 1874563772 XBCJIDVSLJOTQS-CIAFOILYSA-N 433.534 4.535 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1OC 1874593779 BMCFAKHNGXWFKJ-ZRDIBKRKSA-N 442.471 4.828 30 10 IJEE CCc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1874621362 UFVVCXWENPMNPF-NTUHNPAUSA-N 429.472 4.891 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1874700467 UZXSLKNLFSITQC-VQHVLOKHSA-N 448.387 4.627 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)c(OC)c1 1874714269 MWVBLKSIJDWBGT-YRNVUSSQSA-N 436.435 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)c(OC)c1 1875176230 CTXSPQLADSAQJM-UXBLZVDNSA-N 445.493 4.557 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2cc(Cl)ccc2Cl)c1 1891210947 QUZIJQBEDLHTBJ-UHFFFAOYSA-N 433.379 4.971 30 10 IJEE O=C(Cc1cc(C(F)(F)F)ccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1892183037 PJKCMLDIKDKNDE-UHFFFAOYSA-N 434.355 4.755 30 10 IJEE C#C[C@H]1CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1898936059 MFRAGMJYHWVGIN-UNVFRBQDSA-N 444.575 4.858 30 10 IJEE C#CCCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCC1 1984724658 TWZYWBYANUNJEZ-AREMUKBSSA-N 444.575 4.954 30 10 IJEE C#CC1(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CCC1 1985647138 SVLJLWTWSADXQX-UQBPGWFLSA-N 444.575 4.860 30 10 IJEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1(Cl)CC1 2025840734 PURBPDYSJBSWQM-SANMLTNESA-N 439.047 4.652 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@@]2(CCCOC2)C1 2038943565 IWMRSCNCRKWZBQ-BJKOFHAPSA-N 449.592 4.618 30 10 IJEE Cc1cc(O)c([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1C 2079957907 RBSLIGPLXLPWRC-GOSISDBHSA-N 435.309 4.805 30 10 IJEE CCCc1ccc([C@@H](C(C)C)n2nc(C)c(C=NO)c2I)cc1 2080026530 XMSLNTTXMURBDT-QGZVFWFLSA-N 425.314 4.802 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1 2118190996 AUIZGZVGYOMWKL-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CCN(c1cc(Br)cc(F)c1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2118192821 SUXGEJYVTJMPQM-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE N#Cc1ccc(N[C@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)cc1Br 2156285777 UUPZSNHPXPICAS-IRLDBZIGSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)C(=O)Nc1ccc(Br)cc1C#N 2181097855 HMEZENBBAXYPBJ-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2cc(Br)ccc2C#N)CC1 2181138151 XZFYSNGXWCYQLT-UHFFFAOYSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CCNc2cc(Br)cc(F)c2C#N)C1 2205222042 ITHOBOVANMKAKU-RBZFPXEDSA-N 438.341 4.909 30 10 IJEE CCN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2220065241 DRJLSAIOIOISDP-UHFFFAOYSA-N 440.462 4.534 30 10 IJEE Cc1cnc(NCc2ccc(NC(=O)OC(C)(C)C)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2232310974 ZEZKBWTYHKZMIV-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@@H](N)C#Cc2ccccc2Br)CC1 2235721830 JHFLMFHRDRESDC-TVPLGVNVSA-N 435.406 4.849 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CCCC[C@H]1NC(=O)OC(C)(C)C 2235747848 UDNWYEIZYCFGTH-WOIUINJBSA-N 435.406 4.862 30 10 IJEE C#C[C@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCN(C)CC1 2258106218 ZIUWRPPYBGSOCT-AREMUKBSSA-N 426.560 4.766 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CCC 2261818658 FYJCTGQFJVPJOU-BWKNWUBXSA-N 447.572 4.657 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CC[C@H](CCNC(=O)OC(C)(C)C)C1 2261829249 OXTDZJGIKWXIAJ-NLFFAJNJSA-N 447.572 4.704 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2267171689 NXOBPVBDEHUHHC-MSOLQXFVSA-N 442.365 4.632 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@H]3CN(Cc4ccccc4)C4(CCCC4)C3)CCC2)OC1(C)C 2267461801 SVZBAXHNQSBQNI-OAQYLSRUSA-N 438.421 4.706 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)ccc21 2267581096 NHUJBOKCRRVSIH-ROUUACIJSA-N 442.365 4.795 30 10 IJEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282112733 HMDUFVSMSLIVHS-OAQYLSRUSA-N 449.400 4.504 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2289683490 FJMZPTJAWNSUMJ-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@@H](N)C#Cc2cccc(Br)c2)c1 2296223203 ZVPZZZBEKPLZEB-FQEVSTJZSA-N 429.358 4.568 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@@]1(C(=O)C#Cc1ccc(Br)cc1)C2 2296270385 ZDEQGHCJFLPYCM-ORGXJRBJSA-N 430.342 4.548 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2296305170 PWMXYDNTEDBAJP-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE C=CCOc1ccc(C=C2N=C(c3ccc(Br)cc3)OC2=O)cc1OCC 2297327915 VFUNUMYUZPDTGZ-UHFFFAOYSA-N 428.282 4.757 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1Br 2303774053 ZIIAZCMYGRRMNW-NSHDSACASA-N 437.787 4.640 30 10 IJEE COc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1cccc([N+](=O)[O-])c1)C3=O 2321993699 BZRVMFPDWSNFPT-UHFFFAOYSA-N 444.443 4.572 30 10 IJEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1C 2321998497 FXVNRDJWVMAWRP-UHFFFAOYSA-N 442.544 4.876 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2COc2ccc(C)c(C)c2)ccc1OC(C)C 2322056772 JVMGIZGITCKGIB-UHFFFAOYSA-N 440.569 4.831 30 10 IJEE CCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322145750 NIWYQCOZNWPBBP-UHFFFAOYSA-N 432.520 4.681 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)COc4ccccc4OC)cc(C)c3C2=O)cc1 2323118075 GRHZDXRCUSGZEY-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE Cc1cccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c1 2323187047 YQTBIIXCLITGKE-UHFFFAOYSA-N 429.472 4.680 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)c1 2323532365 QBZFDOUQCABYNL-UHFFFAOYSA-N 436.847 4.949 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324683540 VGBVVBSVZMPQIM-UHFFFAOYSA-N 447.443 4.986 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)NCc4ccc(OC)cc4)ccc3C2=O)cc1 2325449062 OHKOKMFMDOXCSN-UHFFFAOYSA-N 443.499 4.569 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccc1C 2325918983 ROMSTJDQTBBGMT-QFIPXVFZSA-N 445.592 4.653 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)cc1 2329249050 OJPJPGWDQXDBGH-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2C)n1N=Cc1cccc2ccccc12 2329490286 LRCOOJGQXIXUEW-UHFFFAOYSA-N 444.560 4.672 30 10 IJEE OCCCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330209921 PMXUWVKZFLOGJW-UHFFFAOYSA-N 435.380 4.727 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(F)cc1 2330284544 MKLBXOMZXZBFMB-UHFFFAOYSA-N 432.565 4.714 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OC 2330873425 SAWWKTUSUOLKPN-UHFFFAOYSA-N 433.298 4.986 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(F)c2)c1 2331684834 WGJRYKVXAXMWOA-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339534493 GFOCDBFXJLLQQP-UHFFFAOYSA-N 443.397 4.785 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339601437 YNTVYSSABWKGIK-MOPGFXCFSA-N 444.381 4.798 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2366226916 KEPIIZBXPMHEKF-DXIQSLLYSA-N 433.390 4.568 30 10 IJEE COc1ccc(C#N)c(OCc2ccc(I)c(Br)c2)c1 2377639637 HLMDGDZJGKGBMG-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C3\Oc4cc(OC)ccc4C3=O)cc2OC)cc1 8823771 KYEVTQGENLOXEJ-QRVIBDJDSA-N 432.428 4.548 30 10 IJEE COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)c1 9731789 OGRBSSNCPVYTOR-JOCHJYFZSA-N 430.508 4.620 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1cc(C#N)ccc1F 13106446 SSNBIHUZZDENJJ-LJQANCHMSA-N 437.298 4.892 30 10 IJEE Cc1ccc(-c2cnc(-n3c4c(cc(C#N)c3=O)C(=O)C[C@@H](c3ccco3)C4)s2)cc1C 20850784 IHTGHCVAUSCGEF-KRWDZBQOSA-N 441.512 4.955 30 10 IJEE CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 21250669 DCZPITIAFRCRBN-NQIIRXRSSA-N 449.547 4.885 30 10 IJEE C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 36308555 XTRRDLDKKKWJIB-QHCPKHFHSA-N 435.568 4.749 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OC(=O)c4ccncc4)c3C)C1=O)cn2C 41294029 AWSMIXAFOJDROY-FMCGGJTJSA-N 440.455 4.726 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)c(OC)c1 41654768 RYVYAKKWHRMYFQ-MSXFZWOLSA-N 429.472 4.672 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1ccc(C)cc1 59021419 DDNRBORFZDTTSY-MSXFZWOLSA-N 449.367 4.987 30 10 IJEE Fc1nc(C(F)(C(F)(F)F)C(F)(F)F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1 59187916 LYVHRRLFROJYNC-UHFFFAOYSA-N 435.090 4.590 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 66227342 LOPHVWJSPKFOHN-IBGZPJMESA-N 429.520 4.793 30 10 IJEE CCOc1ccc(C(=O)/N=C2/c3ccccc3CN2c2ccc(C#N)cc2)cc1OCC 103131306 JVZNNDPSDPFUMN-FVDSYPCUSA-N 425.488 4.963 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 169927202 QKWLKNNKMJKFBS-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2C)c1 169937280 HIPURHPBPDQQIP-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccc(C)cc1 169944998 FPTAFCFJYSFXTD-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(N(C)C)cc1 169952484 XSIYCWFBAMHFSL-HSZRJFAPSA-N 448.519 4.502 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 170006172 XWVUTWZZSOCACR-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 170044764 SYBHWOKYUIQJFR-CVDCTZTESA-N 431.463 4.736 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccncc1 170206335 SBSHJCWJIPODLY-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(O)c(Cl)c1 170219761 MUBFXPVMNXNZOI-FQEVSTJZSA-N 429.900 4.741 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F 170247071 KTNICOSMNXVOHH-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)c(OC)c1 170259819 YFOUACRUGGXSIZ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(C)o2)c1 170302078 WULWQRXTRVUOOJ-NRFANRHFSA-N 432.432 4.896 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2CCc2ccc(Cl)cc2)cc1 170446247 GTMINGBUUHHFBZ-NRFANRHFSA-N 440.971 4.959 30 10 IJEE COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)/C=C\c3ccccc3)c(OC)c1)C2=O 210088260 KXGWGJQGPSSJHA-FPMWVBFKSA-N 428.440 4.939 30 10 IJEE CC(C)CCN1C(=O)c2ccc(C(=O)N3CCCSC3=Nc3ccccc3)cc2C1=O 254302014 QXKOXMHIVMSRDF-UHFFFAOYSA-N 435.549 4.596 30 10 IJEE N#Cc1cc(Nc2nc(-c3cccs3)nc3ccccc23)ccc1N1CCC(O)CC1 301455102 HBKJZIVXBIHTCQ-UHFFFAOYSA-N 427.533 4.935 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 410256842 OVJNATQPISLVCV-INIZCTEOSA-N 433.474 4.823 30 10 IJEE COc1cccc(CN(C(=O)CN2CCC(C)(C#N)CC2)C23CC4CC(CC(C4)C2)C3)c1 506018401 UPABXUBOSUSFDR-UHFFFAOYSA-N 435.612 4.618 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 508860963 AHBOBZCOKVNGNH-QVKFZJNVSA-N 442.922 4.899 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccccc2C#N)c1 526606340 FFQZPNKPDVEGSW-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1O 526606494 KYDMCOHJLCSWNG-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549263261 WNZLYCAJUMQYMS-FQEVSTJZSA-N 425.964 4.727 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)[C@H]2CCCCO2)nnc1-c1ccc(Cl)cc1 675165719 MVWBOSFLSOXVDW-GOSISDBHSA-N 449.020 4.588 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc3oc(C)nc3c2)nnc1-c1ccc(Cl)cc1 675562350 VSAKRKQPVIGFON-UHFFFAOYSA-N 439.928 4.965 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccc(OC(F)(F)F)cc1 727628820 ZEBVLZYQSPBKKL-LJQANCHMSA-N 432.442 4.990 30 10 IJEE CCc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2oc3ccccc3c2C)c1 734297042 YQGXWLTXPWXZIP-OAQYLSRUSA-N 435.549 4.571 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1=S 742172687 URPGRKZQOXQPFI-DENIHFKCSA-N 435.597 4.698 30 10 IJEE CC(=O)N(c1nc(COC(=O)c2cc(C#N)cn2C)cs1)c1c(C)cc(C)cc1Cl 751727940 BYCQBKZSLHHNKM-UHFFFAOYSA-N 442.928 4.665 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=S)NC[C@H]2CCCO2)=C(/O)c2ccc(C#N)cc2)cc1 762439339 RLXIQEYJRIMMGR-JOCHJYFZSA-O 436.601 4.729 30 10 IJEE C=C[C@@](C)(CCOC)COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 784635030 UXYVVKQQAGYJCV-KKSFZXQISA-N 428.356 4.618 30 10 IJEE C#C[C@@H](C(C)C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 798358161 JUJVSXUQLDUJFS-RBBKRZOGSA-N 449.576 4.622 30 10 IJEE COc1ccc(CNC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1C#N 798442664 MONIPQNYMKTLHQ-UHFFFAOYSA-N 435.421 4.756 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1Cl 799218244 AVBDDEACHUNHSP-GOSISDBHSA-N 429.929 4.523 30 10 IJEE CCCSc1nc2ccc(NC(=O)CSc3n[nH]c(NN=CC(C)C)n3)cc2s1 1084115604 JPNWJKGNMAUKMJ-UHFFFAOYSA-N 449.631 4.701 30 10 IJEE Nn1c(NN=Cc2cccc(Oc3ccccc3)c2)nnc1SCc1ccc(F)cc1 1084366777 GCBUJEVVGDUOTQ-UHFFFAOYSA-N 434.500 4.662 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1ccc(C)nc1)c1ccc2c(c1)OCO2 1124212547 PMZWBAQFURZYBG-RAXLEYEMSA-N 428.488 4.930 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(c2ccc(OCC)cc2)CC1(Cl)Cl 1125487569 PXYBJPKMIFFLPU-QFIPXVFZSA-N 429.347 4.987 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 1127177035 WXPXJDLNCXOPJG-JXMNSVBMSA-N 437.471 4.648 30 10 IJEE C=CCN(C(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1)C1CC1 1127604464 VAIAQMHLPWGSCB-BKMJKUGQSA-N 448.563 4.674 30 10 IJEE COC1(CNC(=O)c2ccc(Br)cc2C#N)CCC(c2ccccc2)CC1 1128711510 CLBDZTKRMPGXED-UHFFFAOYSA-N 427.342 4.794 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)c1ccc(Cl)cc1 1129602029 IBJVGCJUCZCMSL-GOSISDBHSA-N 428.294 4.911 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1130100508 IPFIBQFOFMTKFZ-OAHLLOKOSA-N 444.482 4.890 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 1131105546 KHOSFMHBPXDFHF-SQGPQFPESA-N 439.021 4.625 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC)c1cccc(C)c1F 1132592172 HBZQQPOWFXWIDY-UHFFFAOYSA-N 435.293 4.599 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(I)c(C)cc3C)cc2n1 1134070750 DWXZXUDVAUVLSP-UHFFFAOYSA-N 431.277 4.696 30 10 IJEE C=C(C)c1cccc(NC(=O)c2c(Cl)ccc(S(=O)(=O)CCOC)c2Cl)c1 1134626879 RWPNUPXKZHHXTD-UHFFFAOYSA-N 428.337 4.699 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nc3ccncc3[nH]2)cc1 1158993272 KNPHIMGKPVWUCI-KRWDZBQOSA-N 441.919 4.599 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 1165571600 SMHILCFEWVHGNK-CQSZACIVSA-N 449.762 4.619 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2COc3cccc(C)c3C2)cc1OCC 1203208724 UEIHMRLZKSGCFC-KRWDZBQOSA-N 432.358 4.814 30 10 IJEE O=C(NC[C@@H](CO)c1ccc(F)cc1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 1203660203 DETZZIXDGCJWBE-LRDDRELGSA-N 438.343 4.523 30 10 IJEE C#CCN(C(=O)NCCc1cc(Br)ccc1F)[C@@H]1CCCc2ccccc21 1225166409 KKJYGJSXMOKIRT-OAQYLSRUSA-N 429.333 4.853 30 10 IJEE Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CCCC2)cc1 1265486863 BUTOGGUUNIGZCU-UHFFFAOYSA-N 436.455 4.611 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C1CCOCC1 1280097594 RABDFVSXYRHHAO-OAQYLSRUSA-N 436.581 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1286303379 BIEQSSHCGFOIIC-VSKRKVRLSA-N 439.673 4.705 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1286356453 IMFYAALSSQLZHV-QFIPXVFZSA-N 448.567 4.968 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)cc1F 1286400769 GHGSBQPQQBRXOG-MRXNPFEDSA-N 436.531 4.531 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1286663686 GVMFSHMEWRZGJV-WIOPSUGQSA-N 436.600 4.858 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccc(OC(C)C)cc1 1286748910 FSGXVBXTBTUGKJ-UHFFFAOYSA-N 446.580 4.825 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1287596866 BDZARNQVLLTVQU-RZPFDVGOSA-N 446.599 4.524 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 1295776057 YPYUKHMSJAPKES-INIZCTEOSA-N 439.343 4.809 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCC1CCOCC1 1300284606 SSFMWMFZIKOVFJ-MSOLQXFVSA-N 426.630 4.796 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCC[C@H]2C)c1 1300337145 ULUYYXWDJKMHPY-DENIHFKCSA-N 433.600 4.503 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1300386538 RATNAZXHTDFYAS-CYBMUJFWSA-N 448.315 4.925 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)C1 1300477914 SYWJGMBAXGVIDU-KRWDZBQOSA-N 444.984 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCc1ccccc1OC(F)F 1300808543 WMDNUCAEOPUPRV-XMMPIXPASA-N 428.527 4.847 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2CCC(OC)CC2)CC1 1301087783 UXBAYPFTGQTORJ-UHFFFAOYSA-N 430.543 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)[C@@H]1C 1301143134 DXCABCCWISGTCA-KRWDZBQOSA-N 441.645 4.545 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)C)CC1)c1ccccc1 1301165043 CUOHVINFKGKHND-QHCPKHFHSA-N 430.600 4.539 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(F)(F)CC1)c1ccccc1 1301167911 HSVWTHYBIPXMIY-HKBOAZHASA-N 446.542 4.598 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCCCC1 1301272493 HDOPASABAFEUNJ-OAQYLSRUSA-N 425.621 4.922 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1301405790 KRFIVXTWXMXLHF-VWNXMTODSA-N 445.567 4.706 30 10 IJEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)s1 1304362669 HVCVOPWLGJCGRR-UHFFFAOYSA-N 449.605 4.887 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)N2CCC(C)CC2)cc1 1304431460 GVEQGGAQFLBWES-NHCUHLMSSA-N 440.661 4.738 30 10 IJEE C=CCOc1ccccc1CNC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 1311998756 AWEGWCUYKMICNS-UHFFFAOYSA-N 429.358 4.887 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C)c1ccccc1 1312334040 GPKBZNUGDDRSDB-AVRDEDQJSA-N 445.401 4.915 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](C)c1noc(COCC)n1)c1ccc(C(F)(F)F)cc1 1312343307 RJDAKOYBTZYMPO-XJKSGUPXSA-N 426.439 4.693 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCC1 1314059718 AEQMTDKSJDXQQP-BVAGGSTKSA-N 446.599 4.932 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2cccc(F)c2F)[n+]2cc(O)cc(Cl)c2)cc1 1342560261 MTHNVKOGESUSCD-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE C#CC[C@]1(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)CCCN1C(=O)OC(C)(C)C 1357573038 ALJLNUWRJDQRDV-KBMIEXCESA-N 440.588 4.500 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1358913920 CGKMDKZMZVGXQC-SFTDATJTSA-N 429.008 4.966 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCSc1nccs1 1358939191 RTWAEJCCSLLGAR-OAHLLOKOSA-N 448.017 4.780 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1OCCC1(C)C 1358972981 ACRKDOHHSFSEQM-QFIPXVFZSA-N 448.567 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCCCCC1 1358989190 SQALQRIHEWEELZ-UHFFFAOYSA-N 445.394 4.800 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC(F)(F)Br 1359017159 VSPIRQVYZMJKJB-UHFFFAOYSA-N 441.295 4.702 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)SC 1359017483 GUXGJWRZSKDAFA-IOMROCGXSA-N 444.620 4.727 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)CCC 1359051240 QHGYNFZORIYBDC-UHFFFAOYSA-N 441.826 4.964 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCCC(C)C)CC1 1359144597 NLYAUYOGJDUDAD-UHFFFAOYSA-N 433.940 4.637 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cnn(CC)c2)CC1 1359181114 GAFXUPRSJQPQCM-UHFFFAOYSA-N 448.615 4.822 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)C[C@H]1CC 1359188052 FMTLMRLZFLJXPZ-TZIWHRDSSA-N 437.636 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)c3ccc(C)s3)CC2)nnc1C(C)(C)C 1359192960 SSLBCPVEAXHGFH-UHFFFAOYSA-N 429.634 4.510 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)C1 1359229760 UBNMQJHGKZKTST-OAHLLOKOSA-N 425.360 4.603 30 10 IJEE CC(C)N(CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1360128249 DTEPNCZYMJALIH-SANMLTNESA-N 445.615 4.742 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 1452183758 VSFATZNXTLOAAE-QGZVFWFLSA-N 444.453 4.598 30 10 IJEE CC(=O)c1c(C)cc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cc1C 1455280529 ADTJPESUNDOFBR-QHCPKHFHSA-N 447.535 4.851 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 1456308327 PKXLPOHKJADSME-HXUWFJFHSA-N 440.609 4.935 30 10 IJEE Cc1cc(F)c2c(c1)CCCN2CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1459686429 DYPYQALOAJPYFQ-UHFFFAOYSA-N 434.490 4.944 30 10 IJEE CCN(CC(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 1459768408 CKBJIOWHQJHQBR-HXUWFJFHSA-N 427.548 4.933 30 10 IJEE C=CCO[C@@H]1CCN(CC(=O)N(Cc2ccccc2)c2nc3c(C)c(C)ccc3s2)C1 1459820557 RWKIJXHMOWHXQK-OAQYLSRUSA-N 435.593 4.723 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)c1ccccc1 1461150216 UIJCQGJSFYXOPZ-JOCHJYFZSA-N 442.519 4.656 30 10 IJEE C#CCCCNC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1467614237 NTQXPGWEJMLQNN-IBGZPJMESA-N 436.408 4.867 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3CN(C)c3ccccc3)n[nH]2)c1C 1467624875 FXFBPZMEYUEKMQ-UHFFFAOYSA-N 440.551 4.965 30 10 IJEE C=C(C)[C@@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(F)c(F)c1 1469855018 BQMSEQBIMLASMC-RTBURBONSA-N 425.520 4.821 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1470667169 PUWISNFSEHQLTK-NZQKXSOJSA-N 427.951 4.897 30 10 IJEE C#CCN(C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)[C@@H]1CCCc2ccccc21 1472070377 AFXXOKFYWDVCLA-YADHBBJMSA-N 449.551 4.900 30 10 IJEE CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 1476056446 CQXYSXVKTMLETQ-QHCPKHFHSA-N 441.535 4.874 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1507590781 GMGSYDGBEFLQOO-IBGZPJMESA-N 437.588 4.824 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)c1ccccc1 1507681334 WGLRVADQHZXYPL-IBGZPJMESA-N 433.625 4.727 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1cccs1 1507787883 IGUDHBZMCPTATB-LBPRGKRZSA-N 438.420 4.801 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1507793187 CIZBBYDMGSQTML-QRFRQXIXSA-N 429.996 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CC)C[C@@H]1CCCO1 1507802930 DWFSYHFUCKMRGO-RRPUWOKSSA-N 445.007 4.509 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)c2ncc(C)s2)CC1 1507878156 JDQLGVGJULXMIE-MRXNPFEDSA-N 439.585 4.687 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(C)C)CC1)c1ccccc1 1507919055 AYQBWANTZCJKSJ-HSZRJFAPSA-N 435.616 4.746 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1507952293 OYWQBTOWOIODNH-QFBILLFUSA-N 431.378 4.965 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1507974630 INKHILZXQBCNLW-QFBILLFUSA-N 437.407 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[C@@H]1CCCCO1 1507974684 FLSAAWJSMNONKL-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)CCC 1508001405 PPNVMHLJGICULH-HSZRJFAPSA-N 425.964 4.737 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H](C)C1 1508004468 FPPBJQGRTMHCHY-IBGZPJMESA-N 437.563 4.910 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccnn2C)CC1 1508105561 SCRNKXZMUUVGME-UHFFFAOYSA-N 448.615 4.597 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCCC(F)(F)C2)n1 1511101260 CMOUINCYPDWOFL-IBGZPJMESA-N 428.531 4.994 30 10 IJEE CC[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCCCC1 1512852290 AIDKKKRLMXBDQN-OAQYLSRUSA-N 432.616 4.833 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C)CCC(F)(F)F 1515719081 GLDMXXRPYDDVDD-ROUUACIJSA-N 448.537 4.716 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H]1CCCc1ccccc1 1517443561 FFIRQPIDFWIQFS-SFHVURJKSA-N 427.342 4.713 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)c1ccccc1 1520010450 AOSGVUGPIKGTEY-RXVVDRJESA-N 441.369 4.934 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)C1(Cc2ccccc2Br)CC1 1527269636 AQIFRRDNDMJXRV-UHFFFAOYSA-N 435.325 4.776 30 10 IJEE COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cc(C#N)ccc2F)c1 1528040369 HNXVEQMDVQWFEG-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)cc1 1528207724 JFJWENPIDQWPQA-UHFFFAOYSA-N 444.716 4.612 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1531084775 FCMAUUBBLGJHAF-UHFFFAOYSA-N 427.010 4.579 30 10 IJEE CC(C)n1nnnc1-c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 1533816821 DCWCZIZFAVHCFF-UHFFFAOYSA-N 442.454 4.976 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1536873068 YQWRZWNETOFGIT-GHTZIAJQSA-N 442.556 4.858 30 10 IJEE C=CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1538618233 GPBZXKVDJYVSLB-LEWJYISDSA-N 433.470 4.912 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1csc(CC)n1 1538982535 FXEPDOOYRQKRSN-LSDHHAIUSA-N 425.627 4.657 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1 1539066452 VGMOVMLOMKAEPD-HXUWFJFHSA-N 443.636 4.823 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C)(COC)CC1 1539068578 XARWQDNEQLMZMS-UHFFFAOYSA-N 433.556 4.657 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC(C)(C)C 1539639691 AZVJAFDGEGZGJD-NZQKXSOJSA-N 426.605 4.883 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1539721691 DGHPPMZEWULUTQ-HBFSDRIKSA-N 445.633 4.542 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCCC2)CC1 1539836756 YFEXBYLEWGNJKJ-UHFFFAOYSA-N 444.421 4.740 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](C)Cc1cccs1 1540142209 JMPXDKYHYXXPJA-KRWDZBQOSA-N 436.610 4.930 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2C#N)[C@H](C)C1 1544389929 FQMIQKCQPGAWLI-UXLLHSPISA-N 439.556 4.936 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](CC)NC(=O)OC(C)(C)C)cc1 1546163205 HVFVJVMXIZKKRA-FXAWDEMLSA-N 440.592 4.549 30 10 IJEE C=CC[C@H](CO)CNC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1546310963 VRALDBJXRJFABT-INIZCTEOSA-N 441.369 4.831 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C#N 1556707689 DUQYPQSXNQUMNX-UHFFFAOYSA-N 449.532 4.789 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(C)cc1Br 1557541542 KFEJSKLQKCJLGF-CQSZACIVSA-N 431.396 4.685 30 10 IJEE C=CC(C)(C)CC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1558892098 KQAMAAMHUNVPEX-UHFFFAOYSA-N 428.573 4.780 30 10 IJEE COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNC1(c2cccc(C#N)c2)CC1 1560825230 GGMGOJMGQREUBD-UHFFFAOYSA-N 441.318 4.616 30 10 IJEE C#C[C@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(Br)cc1 1560855174 RXJYJIDMCBPMEZ-QFIPXVFZSA-N 441.369 4.762 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)cc1 1562235804 SLLIZMANJIFZFD-UHFFFAOYSA-N 442.357 4.509 30 10 IJEE C[C@@H](NC(=O)Nc1cccc(C#N)n1)c1nc(-c2ccc(Br)cc2)cs1 1562988849 GHGQGFSPGBKOLJ-LLVKDONJSA-N 428.315 4.722 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1)C(C)C 1568280576 ZJOJTZNBJMUHIF-JOCHJYFZSA-N 440.609 4.789 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1OC 1569316419 SJNIDYSNDHQRDQ-UBFVSLLYSA-N 448.563 4.544 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(N[C@@H](C)c2cc(Cl)ccc2Cl)c(C)c1)C(=O)OC 1570221890 ZTRXCBIUGHSBRW-XOBRGWDASA-N 433.335 4.770 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 1583382386 VTSALQQZJMZVCS-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Br)c2N)cc1 1583426152 VSFLVCYAUYQQHT-UHFFFAOYSA-N 448.748 4.751 30 10 IJEE C=C[C@H](CC(=O)N1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1)c1ccccc1 1583548368 YQNRPNCBVKIJKO-LJQANCHMSA-N 426.582 4.769 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nn(CCCCCC)c(=O)c2ccccc12)c1ccccc1 1586028051 WYAXLGCMEBTNSQ-WJOKGBTCSA-N 437.565 4.830 30 10 IJEE C=CCCSCCNC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 1586866963 SMMDIIIHJLRISK-UHFFFAOYSA-N 431.605 4.832 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1587723513 LVTMWEIPIHHMBX-IBGZPJMESA-N 439.947 4.878 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1587746033 HIWONYWXYDFXKD-GOTSBHOMSA-N 449.643 4.848 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1587754772 LXKIREVBEQQYDZ-XMMPIXPASA-N 442.611 4.553 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N(C)Cc1ccc(Br)o1 1587865033 GSORCWOMSDCFNI-UHFFFAOYSA-N 427.346 4.583 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C(=O)OC 1588127106 HONCOHLETWMWLQ-INIZCTEOSA-N 434.901 4.637 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1589404070 GSNQVKLOMJNAFU-MOPGFXCFSA-N 447.377 4.778 30 10 IJEE C=C(Cl)Cn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593933407 ZGKFIHRSSVVILM-BHYGNILZSA-N 438.016 4.674 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)N(CC)CC)CC1 1594023646 MCGDQYBVAUHAET-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1594520950 HMNONCDCCULDRM-IFMALSPDSA-N 426.605 4.937 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1594599922 BPWOJGNAMIFRAZ-UHFFFAOYSA-N 433.556 4.753 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 1594660076 ICLHXKNAXYTZPI-MOPGFXCFSA-N 447.624 4.710 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1594744259 MNZLBBAIJGUWGI-NRFANRHFSA-N 433.556 4.589 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1595303385 RRYCWDFTIAPRBX-SJORKVTESA-N 428.524 4.863 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1595501303 PCWIBIHJPMQCKQ-FPOVZHCZSA-N 435.616 4.561 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC2(C)C)C1 1595687532 ADDPJMRKCKHKOL-KGLIPLIRSA-N 437.407 4.597 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCCC2(F)F)C1 1620347801 CUJVOPLKKZIZND-SIKLNZKXSA-N 431.506 4.721 30 10 IJEE CCN(CCC#N)S(=O)(=O)N(CC)Cc1cc(F)ccc1Oc1ccc(Cl)cc1 1622509233 FJJWUYIDUDPYFA-UHFFFAOYSA-N 439.940 4.574 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccnn1-c1ccc(Br)cn1)c1ccccc1 1624396135 SUCADZVTWVXIMV-KRWDZBQOSA-N 426.318 4.859 30 10 IJEE C#CCN(C(=O)CCn1ccc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 1629238556 NRVFNQDCSTZEFB-NRFANRHFSA-N 437.337 4.780 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccncc1 1631877520 HPXQLEIGGZDANQ-FDFHNCONSA-N 442.604 4.910 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(Cc2ccc(O)c(OC)c2)C2CC2)s1 1636053728 FDRPFFRRWNIKDQ-UHFFFAOYSA-N 439.002 4.744 30 10 IJEE C=CCc1cc(C(=O)Nc2n[nH]c3c(Br)cc(C)cc23)cc(OC)c1OC 1641674421 GZLYDQUUJZWNQQ-UHFFFAOYSA-N 430.302 4.632 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1642245325 FHUHGQMLMUQOBA-DYLHXGEVSA-N 444.575 4.812 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)OCc1ccccc1 1643490994 IWYGTTURRNFORM-UHFFFAOYSA-N 429.929 4.532 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(OC)[C@@H](C)c3cccc(C(F)(F)F)c3)n[nH]2)c1C 1645911805 LKNHKAROUIECOI-AWEZNQCLSA-N 447.461 4.860 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)c2ccccc2Br)n(-c2ccccc2)c1C 1647845173 FXHTZQHTHDRWMS-UHFFFAOYSA-N 437.341 4.803 30 10 IJEE C=CCC(CC=C)C(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1648437059 XKDLGCJAGLJPCY-NLFFAJNJSA-N 426.557 4.774 30 10 IJEE C=CCN(Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 1651813991 HRNWUWCJSBQWGZ-UHFFFAOYSA-N 435.395 4.893 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccn(-c2ccccc2F)n1 1651887025 LQWMVDMUPSZPPJ-UHFFFAOYSA-N 435.528 4.969 30 10 IJEE C#CCN(CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)[C@@H]1CCc2ccccc21 1652348032 TWVNUMROFLLEBA-SQHAQQRYSA-N 448.994 4.760 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1OC 1655497134 CWGWQANFOBFYBY-KRWDZBQOSA-N 437.367 4.944 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1 1662729387 DQZTXWJZBMUJTN-QZTJIDSGSA-N 428.945 4.528 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC(C)(C)COc3ncc(Cl)cc3Cl)cc2n1 1664850198 PSRKTCFBFVIPCZ-UHFFFAOYSA-N 434.327 4.903 30 10 IJEE Cc1ccc(C[C@H](CO)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1C 1669489289 ALFHVSDKCDSSCB-OAQYLSRUSA-N 433.483 4.832 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(CCOC)[C@H](CCC)C1)c1ccc(C(F)(F)F)cc1 1670826901 PREMGKFPTDTKIK-NHCUHLMSSA-N 441.538 4.855 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 1672798937 CYENYVSSPFLCGY-DLBZAZTESA-N 432.952 4.713 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C#C)c1ccc(Br)cc1)c1ccc(Br)cc1 1674026070 RBMOWBLLDOOVAB-QZTJIDSGSA-N 446.142 4.560 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)c1ccc(F)c(F)c1 1675699216 MDIOSIRHXWQTGL-XZOQPEGZSA-N 429.511 4.727 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(C)(C)C(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1 1679306305 XGDFVRIHNSVJPK-GOSISDBHSA-N 425.495 4.661 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)c1ccccc1 1683734051 ORSAVHOTOYZQRZ-RUZDIDTESA-N 448.611 4.667 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncc(CC)s1 1689835236 IXUPJSQYPUDWTK-OAHLLOKOSA-N 425.627 4.801 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCO[C@H]1CCCC[C@H]1C 1690048342 IGOHMDMAWXBCFE-OFNKIYASSA-N 439.003 4.581 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1690377989 XULTWLSBHLDECB-DEOSSOPVSA-N 430.600 4.503 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1690436699 XRTHUAWTMOFZMN-FQEVSTJZSA-N 443.680 4.990 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1690436700 XRTHUAWTMOFZMN-HXUWFJFHSA-N 443.680 4.990 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(C)C)CC1 1690437654 KWPGJILCFOZXPH-UHFFFAOYSA-N 425.621 4.735 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690457163 SCIWDEAHOUEJGB-MSOLQXFVSA-N 446.437 4.983 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1690466824 CAJXQWVXZYYCAB-GOSISDBHSA-N 428.531 4.972 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H](OCC)C(C)C 1690520435 WYMUBHRZDGSMSK-GOSISDBHSA-N 439.373 4.920 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1690597355 RFLSLBOHDOXHQO-OAQYLSRUSA-N 428.024 4.821 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1Cl 1690626038 QEQJGIYCQRKCKJ-UYAOXDASSA-N 432.996 4.537 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H]1C(C)C 1690662269 WXZSIQXLANYTEF-INIZCTEOSA-N 444.004 4.740 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCc1csc(C(C)(C)C)n1 1691006031 HTWXXPKYWFRFME-MRXNPFEDSA-N 440.592 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1705489031 IYOHCNFQZWGQOP-NRFANRHFSA-N 446.643 4.653 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(OC)CC1 1705526272 CSITZRXZXBGUQS-MHECFPHRSA-N 426.630 4.940 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1cccs1)N(C)C 1705606301 ZJXCEUVKYPJLDW-NRFANRHFSA-N 433.625 4.572 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(O)CCCCCC1 1705606953 LWNUQESRAHPNAN-SFHVURJKSA-N 426.630 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C(F)(F)C12CCC2 1705711501 MVQPZZOYUIPFPW-HNNXBMFYSA-N 440.336 4.874 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1c(F)cccc1F 1705733735 UUKWYVVMRAIDCF-UHFFFAOYSA-N 447.917 4.891 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](OC)[C@@H](C)CC)CC1 1705764610 GDGSGTSNXDGMHJ-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1705796913 MWWDGBWDODUHHZ-FUPPJEDESA-N 430.600 4.619 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN(CC)C(=O)OC(C)(C)C 1705838075 AQLZEMAGLGBITH-UHFFFAOYSA-N 437.947 4.617 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H]1CCCN(CC(C)C)C1 1705859680 DGVAZGDNVVCNDB-DEOSSOPVSA-N 446.643 4.978 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1705887874 NEFNSJBZEUPZCN-APWZRJJASA-N 445.995 4.914 30 10 IJEE C=CCn1c(-c2ccccc2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1705889057 GXHLURALDBNMGA-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE COc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1C[C@@H]1CCO[C@H](C)C1 1711947417 DKLRFFYBJHTFIN-WOJBJXKFSA-N 425.577 4.535 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1722538840 YAENGHUMEWPTEH-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCC(OC)CC2)CC1 1722570300 YHDHPXROCFIQOT-UHFFFAOYSA-N 430.980 4.872 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1722595263 VEXZLTMKBLUWPV-YVWKXTFCSA-N 444.505 4.673 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722616576 YEAZBMWSHPBLTJ-IBGZPJMESA-N 440.542 4.768 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1722622844 NNPSEEWNSNYESU-GOSISDBHSA-N 444.008 4.623 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1cccs1 1722636118 XXABGQVHFVWBAU-QFIPXVFZSA-N 428.627 4.867 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722689442 RAKDNLKCHCBKEC-SFHVURJKSA-N 439.560 4.647 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCS[C@@H](C(C)C)C2)cc1 1722705280 BBDOLJWAKLVFTP-FCHUYYIVSA-N 442.629 4.711 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(C)C)C1 1722734921 LGRNXPSKPSTHGZ-IEBWSBKVSA-N 446.686 4.912 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccco1)c1cccnc1 1723108640 BQIQEMSERJVIIZ-QHCPKHFHSA-N 426.524 4.881 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(C#N)c1)C(C)C 1728742572 CFNJMRKFCBMZBR-QHCPKHFHSA-N 432.572 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1cccnc1)C(C)C 1740536242 BNWVYDFNIIEMHA-UTKZUKDTSA-N 439.510 4.839 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)COC 1740632424 JHCRBIJUPCMIBP-UHFFFAOYSA-N 426.973 4.559 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1740824837 CRPPOBIYLVONCQ-LJQANCHMSA-N 436.478 4.817 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](SC)C(C)(C)C)CC1 1740834546 AZTRYWYUMRPQKC-FQEVSTJZSA-N 428.602 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1740846978 SOWGIQFBICGTNL-HXUWFJFHSA-N 446.599 4.598 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(OC2CCCCC2)c1 1740893705 SXNVIDYBYFIMGY-UHFFFAOYSA-N 433.556 4.731 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740998372 NVXIGJKHRJCLKP-KRWDZBQOSA-N 441.576 4.620 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1748716237 WIZAWSMXIOUESG-IAGOWNOFSA-N 434.993 4.616 30 10 IJEE C#CCCCCn1c(N2CCC(c3ccccc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748726597 HXBIHVABODTVGO-SANMLTNESA-N 436.600 4.506 30 10 IJEE C#CCCCCn1c(N2C[C@H](c3ccccc3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1748726640 JAZXOEIDPNBQRW-HNVPCBRESA-N 436.600 4.505 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C)(COC)CC1 1748735614 RUWYQFXKRRGKPU-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@@H]1CC 1749051790 NGNIXGFMRBCXFX-ISJBWFOZSA-N 433.600 4.966 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC(n2ncc3ccccc32)CC1 1749085200 ZCHJSPBBHQVXFE-UHFFFAOYSA-N 429.366 4.501 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCc2cccc(C)n2)CC1 1749347784 TWJOJFDWRZQHCZ-UHFFFAOYSA-N 449.624 4.928 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@](C)(CC)C1 1749358327 IJXRTRNTRXCMBM-RUZDIDTESA-N 434.588 4.738 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749438264 TVKSJXXLVQPLSW-VQIMIIECSA-N 438.494 4.542 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC(CC)CC1 1749448212 VNBNGCBSTAOKIJ-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](CC)c1ccccc1 1749467616 VELCJRWDXARMTH-MRXNPFEDSA-N 428.378 4.862 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C/c1ccccc1 1749486760 GKUZAMPYNQTZIS-OQHXPNFOSA-N 437.588 4.728 30 10 IJEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)c1ccc(C)cc1)C1CC1 1749525149 IVMYRWSPMHGEKN-SFHVURJKSA-N 435.597 4.537 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](C)C1)C(C)C 1749558759 YCJMWYDTBQXDJL-QPPBQGQZSA-N 436.648 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H]1CCOC1 1749560729 ABIDKXQCGJOBSP-JOCHJYFZSA-N 431.584 4.958 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccc(F)cc1C(F)(F)F 1749600218 SFCPADMDUCVSAC-UHFFFAOYSA-N 428.474 4.712 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](OC(C)(C)C)C3)nnc2C(C)(C)C)cc1 1749685814 LFUGPBHEHZHDSY-OAQYLSRUSA-N 426.605 4.973 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCC)C1 1749701245 QWHXOOFTAHWECI-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C2CC(C(C)(C)C)C2)C1 1749719339 STTZOJJUWVEUCO-DPVAKWRKSA-N 430.637 4.975 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)CCOCC1 1750257699 AQFHIBZUKLGTRA-NQIIRXRSSA-N 439.629 4.744 30 10 IJEE C[C@@H]1C[C@H](CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1752014910 DRMZMGAUZYDVNY-PNCHPQGNSA-N 427.980 4.934 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 1760132574 KUCQRTKSFKIBTJ-DYVFJYSZSA-N 439.760 4.959 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(C)(C)C)CC1 1760132606 PMBURKWLMYRNCL-UHFFFAOYSA-N 431.987 4.852 30 10 IJEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1760142307 YPSHIMYSBWVMIW-QFIPXVFZSA-N 434.540 4.912 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCCCN1CCCCC1 1760230899 PEPVLXPWWJCLAW-UHFFFAOYSA-N 430.600 4.609 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1760275500 YNOHBEQRJQUSGH-KXBFYZLASA-N 436.984 4.528 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760285354 CSNVFSMTXAVCFM-GHTZIAJQSA-N 426.630 4.855 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1760311928 FZWOARHXPJDSPM-UHFFFAOYSA-N 437.338 4.603 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1760343163 CFWIGVOUZAAYBG-LJQANCHMSA-N 435.538 4.794 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@](C)(O)c2ccsc2)CC1 1760392234 JBTRGWHXGWMKTN-DEOSSOPVSA-N 438.597 4.600 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1760399776 WFCSQLUNOIHCMH-UHFFFAOYSA-N 440.954 4.649 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)c1cccs1 1760457589 YOWZJEXUERTVGJ-OYHNWAKOSA-N 428.627 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCCc1cccc(C)n1 1760478779 RJQAHDBXCGYVIJ-UHFFFAOYSA-N 428.584 4.976 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCSC1 1760501530 SYBPNOZICCXESV-IBGZPJMESA-N 428.627 4.902 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)[C@H]1C 1760561895 PTHLJIUQVHFGKP-HUUCEWRRSA-N 439.050 4.857 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C)(COC)CC1 1760563636 XRXLQUKBOPTXCK-UHFFFAOYSA-N 437.613 4.665 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCc1scnc1C 1765195640 DSBWIKQGWWRGQY-UHFFFAOYSA-N 448.621 4.955 30 10 IJEE CO[C@@](C)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1767988159 HDDBOPOQWQAFAS-VQTJNVASSA-N 438.334 4.509 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)C1 1768360352 HRWKCNDOQRSCTL-IMSXRSKXSA-N 439.629 4.742 30 10 IJEE Cc1c(N=Nc2ccc(Br)cc2)c(O)n([C@@H](C)c2cccnc2)c(=O)c1C#N 1772740607 SELGJAPSDNWOEN-ZDUSSCGKSA-N 438.285 4.916 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1Cl 1861014782 JQNIKTQSPTXWIC-JOCHJYFZSA-N 430.976 4.863 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(O)c2)cc1C 1862401132 URYSWEDDOZHXTG-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862438319 LGGADXYGOJVYNZ-OAQYLSRUSA-N 441.911 4.900 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1862443905 REZGKAWXPJTRBI-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862477919 VONMHNSQVOLGKB-XMMPIXPASA-N 444.506 4.979 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOCC)cc1 1862479308 DAJZSHVDZNLRPD-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOC)cc1 1862485283 ZLWPRGVFWDZNRV-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(O)cc1 1862523886 RRAMPCAHJMIOFF-GOSISDBHSA-N 430.298 4.533 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862711967 GVHNOBBLBHYXRF-XXBNENTESA-N 449.453 4.875 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2C)c1 1862736717 NBLIOFXYVOEEFR-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1cccc(Cl)c1 1864116179 GPQZQPYTBVASCV-LJQANCHMSA-N 445.007 4.807 30 10 IJEE CC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866974167 PPMURVLEJVBESZ-VQTJNVASSA-N 442.357 4.594 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)CCCOc1ccc2ccccc2c1 1870145168 VRTHASMZXDEYNP-UHFFFAOYSA-N 431.883 4.743 30 10 IJEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1871006347 BLQJYTADYYAIJE-UHFFFAOYSA-N 429.564 4.675 30 10 IJEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871054625 KKBGWFQIMMOZQF-UHFFFAOYSA-N 445.563 4.834 30 10 IJEE N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 1871281896 JFGJWCZBIWXIBY-UHFFFAOYSA-N 431.473 4.593 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)ccc2C1=O 1871372289 JDKCHWHAWQGPEW-UUYOSTAYSA-N 431.400 4.747 30 10 IJEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCC(CO)CC1 1871397408 YHYGUVDBFGGAHW-JMIUGGIZSA-N 434.319 4.520 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1871812875 AGYUUSJRGZGEQR-IBGZPJMESA-N 440.487 4.690 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871874231 PGXQELOGRQMCSF-KKSFZXQISA-N 436.524 4.585 30 10 IJEE CCCCc1ccc(-c2csc([C@@H](C#N)C(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1 1872762498 OQIHJUOSTUIZEX-FQEVSTJZSA-N 443.528 4.625 30 10 IJEE CC(C)(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)n1 1872769876 ZPVKPGDTHAWTDL-GOSISDBHSA-N 447.491 4.870 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cc(C)c(Br)cc2C)[nH]1 1873469937 OTUVXMZAMQYVSU-UHFFFAOYSA-N 449.356 4.958 30 10 IJEE CCCOc1c(/C=N/Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cccc1OC 1873526529 KAGFSGPAOKBJPM-WYMPLXKRSA-N 447.322 4.783 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(C(=O)O)cc1 1874299782 SBOVCUDUTAQDMG-WYMPLXKRSA-N 436.537 4.723 30 10 IJEE Cc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCC(=O)OCC(C)C 1874404469 YYSAYCIBSZUZCL-MFKUBSTISA-N 436.581 4.545 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874493465 NSJYHGNUSVCHBA-SSDVNMTOSA-N 440.400 4.695 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2cccc3ccccc23)o1 1874519272 KLKFFWJCGJDAJR-ZMOGYAJESA-N 432.505 4.863 30 10 IJEE C[C@@H](NC(=O)COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 1874593093 RNULJOMMQRQEOI-KAUXGEHWSA-N 430.460 4.747 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 1874609270 HXXDMNYMYHRZEF-NTUHNPAUSA-N 425.525 4.627 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 1874698423 VUPZDDGGWMKKTE-WUXMJOGZSA-N 447.443 4.656 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1F 1874707146 QSFCZDBRBCNBFM-PKNBQFBNSA-N 435.407 4.787 30 10 IJEE COc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 1875157654 IOYNLZRLWSMVCR-AWNIVKPZSA-N 436.435 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)c(OC)c1 1875178432 JXZFNBUVOMULIS-DHZHZOJOSA-N 428.481 4.569 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 1922057891 QRQPGPLQTUBHEI-HPJLMOCUSA-N 446.632 4.524 30 10 IJEE C[C@@H](C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1957732999 GRFCSJURYITZKY-GYCJOSAFSA-N 426.472 4.859 30 10 IJEE N#Cc1ncc(Br)cc1Nc1ccc(Cl)cc1I 2048648569 WQHJNFHJSBUWBI-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C#CC[C@@H](C[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC)C1CC1 2076098686 KONWQQZBVDHTAD-LOSJGSFVSA-N 441.660 4.821 30 10 IJEE CCOC(=O)c1cnc2c(-c3c(F)c(F)c(F)c(F)c3F)c(C(F)F)nn2c1Cl 2081469060 SSTVZOMENWTJPJ-UHFFFAOYSA-N 441.690 4.860 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1nc(CCC)[nH]c1Br 2087651906 FINXLNJNFMMSSL-ZFWWWQNUSA-N 429.403 4.635 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)cc1Br 2156285779 UUPZSNHPXPICAS-UNMCSNQZSA-N 426.358 4.556 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181114730 NGSPZVAPMNLALH-XJKCOSOUSA-N 436.350 4.541 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Br)cc1I)c1ccccc1F 2207270239 BRFWDKWZSSJJQW-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1c(F)ccc(Br)c1F 2231246567 QTUOREFRSOOPMQ-BXUZGUMPSA-N 431.277 4.708 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@@H](N)C#Cc1ccccc1Br 2232125751 WUTMZLZYWLYRGI-IRXDYDNUSA-N 441.435 4.553 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1ccc(C#N)c(Br)c1F 2234598600 GYYADVKWSAWUMR-GFCCVEGCSA-N 448.283 4.907 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)c1cnc(NC(=O)OC(C)(C)C)o1 2235718000 CBZGNFQRPQTXCF-MRXNPFEDSA-N 434.334 4.877 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2235730491 VIBIXYFWHOQZDZ-OALUTQOASA-N 435.406 4.720 30 10 IJEE C#CC1(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC2(CCCC2)C1 2244941370 LHVFFLZDVBRQAH-UHFFFAOYSA-N 442.559 4.758 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2255525802 JTJHTIGJNKUQGY-SFHVURJKSA-N 425.353 4.812 30 10 IJEE CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255529076 HVDIGTFRPMKUMQ-OAQYLSRUSA-N 426.410 4.516 30 10 IJEE CN[C@H](C#Cc1ccccc1F)c1cc(Br)ccc1I 2281377393 RDWIZJBHCUCFPU-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O 2294017412 MAYCCHIMZJSKTQ-UHFFFAOYSA-N 430.869 4.792 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2296222362 RCWJMAJYFUBCQG-ZWDAVXSWSA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2296271801 HJZUYQGZWSDHDW-PKOBYXMFSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C 2296289432 RONPHPPGECBKKX-DBVUQKKJSA-N 435.406 4.957 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2296293883 OBYSGVQSVDHCCE-JXFKEZNVSA-N 445.348 4.717 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2296297525 ZZHNIRINESWZCL-MJGOQNOKSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2296298453 KIBVNJKALCUTER-CMKODMSKSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1cccc(CNC(=O)OC(C)(C)C)c1 2296304459 HOMRCGZNSVTCBS-HXUWFJFHSA-N 429.358 4.786 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2ccc(Cl)cc2Cl)cc1 2297060069 AJFFRGMDCJEIRI-IBGZPJMESA-N 448.302 4.588 30 10 IJEE CSCC#C[C@@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2299660713 PIEIXFQFEQKAMY-ZEQKJWHPSA-N 433.573 4.572 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2306523219 SOAKELKLCZUCQE-CJFMBICVSA-N 430.589 4.944 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2306523220 SOAKELKLCZUCQE-CPJSRVTESA-N 430.589 4.944 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2306618781 WKNCQEJHZURLLS-STWLZBDKSA-N 428.573 4.555 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1 2308427922 IFAUAROKOMUGIE-KHCICDEESA-N 443.544 4.728 30 10 IJEE O=C1C(=Cc2cccs2)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 2322171053 FTUCNQAPVTUTRX-UHFFFAOYSA-N 429.501 4.635 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)cc1 2322311234 QNSFGBIATXOEDU-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE Cn1ncc(NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c(Cl)c1=O 2322630808 FEPVYWOGZHUYQW-UHFFFAOYSA-N 437.714 4.766 30 10 IJEE Cc1cc(OC(=O)c2ccncc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2322828280 KTWINMCYKRCLOZ-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)cc1 2323937486 XVYZXRBISNUJAO-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE CC(C)COC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Cl 2324035738 GMEIYCMRKJXRKK-UHFFFAOYSA-N 430.884 4.585 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2325384798 PGLUZWDCWRVTJE-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2325906916 BZCBMAGJOXMUDL-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(OC)c(OC)c1 2326514782 XUDLFDRBOYGXCT-UHFFFAOYSA-N 446.960 4.830 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2N=Cc2cccc(Cl)c2Cl)o1 2326834931 LZXKHLZIIVPZIB-UHFFFAOYSA-N 425.297 4.529 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2327970566 WZHMRYXOLNICDK-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)cc1 2328355649 UDFUCWDGGZPDCH-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE CCCOc1cccc(C=Nn2c(COc3ccc(OC)cc3)nnc2SCC)c1 2328372023 UUERDKRGGRCTLX-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE COc1ccc(CCc2nnc(SCCCO)n2N=Cc2ccc(C(C)C)cc2)cc1 2328589687 AOGFAOXXADOQQU-UHFFFAOYSA-N 438.597 4.552 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2N=Cc2c(Cl)cccc2Cl)cc1C 2328977636 PZNZAVUJKMEESQ-UHFFFAOYSA-N 449.407 4.954 30 10 IJEE CCCCCCNC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2329750437 VDGFEWZEBRITRJ-UHFFFAOYSA-N 432.520 4.870 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(CC)cc1 2330217303 PUFOSYNOKOCELO-UHFFFAOYSA-N 436.581 4.553 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 2330627945 QTCBJTLYZXAIJB-UHFFFAOYSA-N 443.532 4.567 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1OC 2330718149 OOFMVAVRDRAZEG-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)cc1 2331033136 OTGYQRUHUVOEQJ-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1O 2331061440 VKIFJUWPEHQAIW-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(F)(F)F)c1 2331109743 AIVYDYIPZFNLJY-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1 2331349456 UQOJEZOVBAGIHO-KRWDZBQOSA-N 439.560 4.612 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)cc(OC)c1O 2331397222 WZMUFLWMPBSRDP-UHFFFAOYSA-N 444.532 4.612 30 10 IJEE N#Cc1ncc(Br)cc1OCc1cc(Br)cc(Br)c1 2337105447 XTXHRCFPBWJCBC-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339541647 PLVJVPDYCVMPIN-XMMPIXPASA-N 443.397 4.785 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2339541741 RDCXINPGSXLPSA-IVAVGGPPSA-N 441.381 4.538 30 10 IJEE CC(C)(C)OC(=O)NC1(CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339577718 WJUIOGGQJIABGE-RVDMUPIBSA-N 444.381 4.943 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](Nc1ccc(C#N)c(Br)c1F)[C@H]2F 2358232910 MQMLHCQQBYTUGR-AOLWHUPESA-N 442.304 4.750 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(c3cc(Br)cc(C#N)c3)C1)C2 2358646640 YMPIMLNKUOKHRI-BTYIYWSLSA-N 434.378 4.937 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2358672149 SZBBIXXAAQPCHG-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]12CC[C@H]1CCN2C(=O)OC(C)(C)C 2360197166 HAHMYMZKENSUGH-JLMWRMLUSA-N 433.390 4.568 30 10 IJEE N#Cc1c(NC(=O)CCn2cnc3c(Cl)cc(Cl)cc3c2=O)sc2c1CCCC2 36743919 BOUKVNAPPDWRQQ-UHFFFAOYSA-N 447.347 4.544 30 10 IJEE N#Cc1ccccc1COc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 59106194 AIKMCNKWOAKVTH-XKZIYDEJSA-N 441.418 4.783 30 10 IJEE C=CCSc1nc2ccc(NC(=O)CSc3n[nH]c(N/N=C/CCC)n3)cc2s1 59311773 HEPQGAGLNONXNP-UFWORHAWSA-N 447.615 4.621 30 10 IJEE O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1c(F)c(F)c(F)c(F)c1F 100930597 UIAOMAFZCXDVJQ-UHFFFAOYSA-N 426.128 4.710 30 10 IJEE O=C1/C(=C\NCc2ccccc2Cl)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 105336132 ALZPTVCBCQWFTK-CPNJWEJPSA-N 444.965 4.565 30 10 IJEE CCCCCCOc1ccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NC)C2=O)cc1 105534795 JWNABZFVEKROSX-NRFANRHFSA-N 439.581 4.918 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 169960764 BWJKOSDUNQIRPM-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1 169963392 PAISBDLZVWNBKE-OAQYLSRUSA-N 430.847 4.700 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1ccc2c(c1)CCO2 169988406 FRXBICFUAWTUNQ-FQEVSTJZSA-N 439.439 4.744 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccn2)cc1 169991837 LTDMPIBGRJUUMM-JOCHJYFZSA-N 443.459 4.896 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170104022 IOQNOBHEGCPZBZ-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)c1 170118926 GWCYGIJLJPFXKI-DEOSSOPVSA-N 443.499 4.946 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccccn2)c(C)c1 170170059 RIYFUDRQWPUIPG-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170207034 IXNSHYAQKJMPLL-OAQYLSRUSA-N 432.382 4.889 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268549 JSIRAEWJEIXXRL-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1cccc(F)c1 170270958 RPCNKPOLAZUDAV-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC(C)=O)cc1 170320182 ZKXSFMGOQMEBGL-XMMPIXPASA-N 447.531 4.869 30 10 IJEE N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)C3c4ccccc4Oc4ccccc43)CC2)nc1 238926950 USLVKHAYSATRLA-WGSAOQKQSA-N 425.488 4.697 30 10 IJEE N#Cc1ccc(NC(=O)c2cc(O)nc3ccc(Br)cc23)cc1C(F)(F)F 443887254 WAHGVHGRCOTNEQ-UHFFFAOYSA-N 436.187 4.846 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cc(C#N)ccc1OC(F)F 463481495 NEYMFBMYZGAITH-UHFFFAOYSA-N 439.447 4.580 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@@H](CCOC)C2)nnc1-c1ccc(Cl)cc1 466850628 AAFOYPZLJOOENQ-KRWDZBQOSA-N 449.020 4.542 30 10 IJEE Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](c4n[nH]cc4NC(=O)C4CCCC4)C3)c2c1 480114743 IUBUGIBKXFHVLD-IBGZPJMESA-N 442.567 4.959 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 508739173 JLTAEBPUMVCMLA-KRWDZBQOSA-N 427.549 4.640 30 10 IJEE C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 508847268 KBPGLVWTEPYJKT-DHIUTWEWSA-N 444.579 4.963 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(OC)c2OC)c1 526517801 VYGLHAAJPUPRBL-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1c(F)cccc1Br 540051715 NSGZNLXHVXRALD-UHFFFAOYSA-N 439.398 4.686 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 555262095 GIWPVSDXHCQQPJ-FQEVSTJZSA-N 448.958 4.888 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 558993270 KKZLHNWAOBFIDV-DENIHFKCSA-N 447.583 4.642 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(c2nnc3ccccn23)CC1 579292392 JCAUSFVGNGQNCD-UHFFFAOYSA-N 435.535 4.711 30 10 IJEE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 609071429 VWHMAQKPMAAKPK-LJQANCHMSA-N 441.531 4.786 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ncc(Br)s2)cc1 616174511 AFVJVHJGNRIBEU-UHFFFAOYSA-N 430.302 4.759 30 10 IJEE C#CCCC[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710415292 KSFMOVLZCJLVNR-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE COC(=O)c1coc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc3c(c2)CCCC3)c1 729669413 WSGKZUFTSMHLSJ-UHFFFAOYSA-O 449.552 4.592 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739597663 BLIYDCZUGAPDEB-HSZRJFAPSA-N 427.529 4.867 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Oc3ncccn3)cc2C)CCCN1C(=O)OC(C)(C)C 790515079 SWOVDOXWUFMMSP-XMMPIXPASA-N 438.528 4.862 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccsc1 790739274 PBPOHQDXKCQYMA-IBGZPJMESA-N 441.578 4.521 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802556817 ZMLCCZZIJIZCBJ-UHFFFAOYSA-N 434.559 4.689 30 10 IJEE CC(=O)Nc1ccc(O)c(C(C)=NNc2ncnc3scc(-c4ccc(F)cc4)c23)c1 915954597 GZZSFAXFUYHFQL-UHFFFAOYSA-N 435.484 4.998 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cc1OC 920772761 HGMYSENZOFXDON-IBGZPJMESA-N 430.342 4.870 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 1126240408 ONVXXXXWMHSYTJ-UHFFFAOYSA-N 430.533 4.683 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 1135399963 MNKQKUJKMTYTMP-MOPGFXCFSA-N 432.561 4.617 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 1136697509 TXIQQQLEXJONIK-LADGPHEKSA-N 448.563 4.524 30 10 IJEE C#CCN(CC#N)C(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1 1138770199 ZTIKERJWNCQIGG-UHFFFAOYSA-N 449.510 4.955 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(F)cc(Br)cc3[nH]2)cc(OC)c1OC 1142602717 DIKMXJLRKKOUQT-UHFFFAOYSA-N 447.304 4.745 30 10 IJEE C[C@@H](c1nnc(SCC(=O)[C@H](C#N)c2ccccc2)n1-c1ccc(Cl)cc1)N(C)C 1188004457 BWAVQZVVIXYENE-HNAYVOBHSA-N 439.972 4.512 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 1190621788 QILOEMXAILZYFM-IERDGZPVSA-N 439.499 4.975 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1214279075 XPHQWESYSXKTSD-FQEVSTJZSA-N 441.597 4.717 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(F)c(Br)c1)c1ccc(Br)cc1 1215514835 DDDOMEIYIHSMRK-OAHLLOKOSA-N 426.083 4.847 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccc(C(F)(F)F)cc1 1230695072 YXKXBPDFQZVVJF-HKUYNNGSSA-N 425.495 4.659 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(C)n(C(CC)CC)n2)c(C(=O)OCC)c1C 1264357491 QRBLZYLPYZGOHS-UHFFFAOYSA-N 447.557 4.694 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1265133837 YRXXVQUEQYJERR-PMACEKPBSA-N 432.630 4.562 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC)CCCN1C(=O)OC(C)(C)C 1266168170 MQYJKXCAQKRHSM-UQBPGWFLSA-N 428.573 4.582 30 10 IJEE C#C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)c1ccc(Br)cc1 1275474906 SBLCCJRVXATDNH-HNNXBMFYSA-N 443.085 4.523 30 10 IJEE N#Cc1cccc(N(C(=O)c2nn(-c3ccccc3F)cc2Br)C2CCC2)c1 1279139556 GICAWJZCBNBCKV-UHFFFAOYSA-N 439.288 4.845 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN(C)C1CCCCC1 1286280088 ZLEGAMLAVZKACF-UXHICEINSA-N 441.595 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCCC 1286300548 BEDDEGXZYOZOOX-CTNGQTDRSA-N 444.023 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286518597 HLTMEDZQIWSZSE-NVNZTLJMSA-N 438.547 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cc(Br)cs1 1286578069 FOAWXTYZQMJIRG-INIZCTEOSA-N 425.396 4.794 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCc2c[nH]nc2C)CC1 1286640917 PGHIQFGGUCATQT-UHFFFAOYSA-N 441.377 4.528 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(C#N)o2)CC1 1286656328 NHNAPFNMUMXHQU-UHFFFAOYSA-N 438.329 4.623 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1286695203 QMAVEXAVIWSIOF-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H]1CCCSC1 1286748586 XBDCVLPVLQIPJK-SFHVURJKSA-N 425.577 4.759 30 10 IJEE C#C[C@H](NC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C 1297150400 MJAYEYAKGMBWRS-FNZWTVRRSA-N 444.575 4.812 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCc2sccc2C1 1300934799 CDJBUHQCCYDJSC-UHFFFAOYSA-N 445.386 4.917 30 10 IJEE C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1300944216 OXHLDWDDNNVFMD-UHFFFAOYSA-N 434.544 4.759 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301198574 MXGZJWLCXQXIMK-SFTDATJTSA-N 425.646 4.908 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301199280 ZQLHPFXVLUTUJD-GOSISDBHSA-N 440.979 4.594 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCC1(F)F 1301422322 GZSSQRMLYKFHRB-GOSISDBHSA-N 443.542 4.901 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CCCO)CC1 1301602010 LGXSKHGXUULPRG-UHFFFAOYSA-N 439.000 4.646 30 10 IJEE C=CCn1c(SCc2cc(OC)cc(C)n2)nc2sc3c(c2c1=O)CCCCC3 1307240591 JCNUUBGELYDDHV-UHFFFAOYSA-N 427.595 4.917 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1310001191 OZQPXZIRTNFCBN-MDPIYQRISA-N 447.645 4.904 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)[C@H]1CCCc2ccccc21 1311783441 IMHAOYWBWJYBJK-BCHFMIIMSA-N 449.570 4.570 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O 1312744850 FLAUXKRDKOGCNX-DNVCBOLYSA-N 449.979 4.990 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)c2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1312870653 RHFRVRSNLCZOGH-UHFFFAOYSA-N 435.568 4.693 30 10 IJEE COCCC1(Cn2c(Cc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1315986140 BFDQGTZTRRQGOP-IBGZPJMESA-N 427.568 4.591 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnc(SC)c1)c1ccc2c(c1)OCO2 1350355383 RHLUQYAJVJDXDR-UHFFFAOYSA-N 434.517 4.944 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cnc3ccc(F)cc3c2)c(C(=O)OCC)c1C 1353746888 VZZGMMHEWXRNKT-UHFFFAOYSA-N 442.468 4.516 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)sc2c1CCCCC2 1353904553 DHWWIEVILXZNBX-UHFFFAOYSA-N 434.521 4.503 30 10 IJEE Cc1cc(C#N)cnc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)N(C)C 1355669239 COWFSVGZDIFJNO-FQEVSTJZSA-N 433.383 4.797 30 10 IJEE Cc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c3ccccc3n2)o1 1357128701 GZIVFNYSROTRQE-UHFFFAOYSA-N 438.531 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1358878962 IQBRLQXYJOJEPB-MZKRTTBSSA-N 431.584 4.605 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(C2CC2)CCC1 1359003135 ZLGWACGAXGNXIE-UHFFFAOYSA-N 431.353 4.887 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H](C1CCCCC1)N(C)C 1359072439 CYGHZLQSUUVHBE-LEAFIULHSA-N 447.671 4.956 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(CC)C1)c1ccccc1 1359196098 XGNLNPLATBTDTP-JYFHCDHNSA-N 448.615 4.505 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1359204339 LPRSAZVNVUMVSV-UHFFFAOYSA-N 436.579 4.965 30 10 IJEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(F)(F)F)CC1 1359228358 AGQHNPDXTCMMKM-UHFFFAOYSA-N 447.505 4.653 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1CCN(CC)CC1 1359234512 RDPWHSJMJSOBOW-GOSISDBHSA-N 427.662 4.876 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1359248960 JHBDEMMTWOCQMX-UHFFFAOYSA-N 449.599 4.976 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1CCc1cc(Br)ccc1F 1359269650 JTJCHJIKJAJIBM-UHFFFAOYSA-N 442.336 4.663 30 10 IJEE C#CCN(C(=O)COc1cc(Cl)ccc1C)[C@@H]1CCOc2ccc(Br)cc21 1435175754 NKOCSFZIVZIJNA-GOSISDBHSA-N 448.744 4.775 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)c1ccccc1 1435777347 MPHUTOCRPWWUFG-QHCPKHFHSA-N 439.987 4.563 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(F)c(F)c1 1435951434 PJUZYJAQUOOPBM-JOCHJYFZSA-N 432.426 4.813 30 10 IJEE C=CCc1cc(C(=O)NC2(c3cc(Br)ccc3OC)CC2)cc(OC)c1OC 1437026502 XWYZLSVRDSOYMB-UHFFFAOYSA-N 446.341 4.623 30 10 IJEE Cc1cc(C(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)nn1-c1cccc(C#N)c1 1439903063 GFORRUKPCPXOLJ-UHFFFAOYSA-N 443.894 4.823 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 1441985793 TUKCGTUQADMXEQ-SFHVURJKSA-N 444.963 4.861 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccc(F)c(F)c1 1447976445 ZPHSEIQGWRQOJA-RTWAWAEBSA-N 428.479 4.745 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)c1 1455951563 XKPIEKMQWJAWIP-FQEVSTJZSA-N 446.572 4.592 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 1458178088 XPSZNZWIIRYOQI-AZUAARDMSA-N 437.506 4.757 30 10 IJEE Cc1cccc(C(C)(C)NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c1 1459834243 FQUWNTXTHKEUEJ-UHFFFAOYSA-N 432.543 4.936 30 10 IJEE COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1ccc(Cl)cc1 1460023669 FJOGTCPMAKECPX-QFIPXVFZSA-N 436.943 4.535 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)[C@@H](CO)CC(C)(C)C)c2C#N)C1 1460103546 DKXPYNNLYCYHPP-DLBZAZTESA-N 433.662 4.828 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C)c(OCc2csc(Br)c2)c1)C1CCOCC1 1461714010 QGYVKNONGUHTSY-GOSISDBHSA-N 448.382 4.556 30 10 IJEE Cc1nc(SCC(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c(C#N)c(C)c1C 1465746059 BYXOAJQJBBNWAY-UHFFFAOYSA-N 433.499 4.691 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1)c1ccc(Cl)cc1 1465790894 VUCXXEJJCVSYSR-HXUWFJFHSA-N 448.910 4.691 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1ccc(I)cc1Br 1465809193 UZHNMIGMMQPQEX-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(CC)CCOC1 1467787096 SVNRIPSIJKIJSG-RPLLCQBOSA-N 448.563 4.545 30 10 IJEE C#C[C@@H](NC(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)c1ccc(Cl)cc1F 1467935311 PHBVAZRJADFRAP-IAQYHMDHSA-N 437.924 4.626 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F 1474905774 LPPJMTXCWNZHDD-UHFFFAOYSA-N 448.304 4.887 30 10 IJEE COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 1474997357 GEQYSDRIHUJTPM-AWEZNQCLSA-N 439.364 4.517 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC(OC[C@H]3CCOC3)CC2)cc1 1476606219 AATDIFLWKRZYLT-SFHVURJKSA-N 437.565 4.759 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(OC)(C(F)(F)F)CC1 1476729425 UVZPEWUWYHEQIL-UHFFFAOYSA-N 437.256 4.589 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)cc1 1476851509 QXNMLOAQBGNHGJ-UHFFFAOYSA-N 432.427 4.558 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@](C)(c1ccc(Br)cc1)C(C)C 1477915895 NSZDMNRWKGRDLP-QFIPXVFZSA-N 429.358 4.832 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C[C@H](C)O1 1499696045 DMCOFBHHLYVUCR-PXNSSMCTSA-N 435.597 4.860 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1ccsc1)N(C)C 1507517736 JIYHOPHZXWLXCZ-DENIHFKCSA-N 433.625 4.570 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1sccc1C 1507707724 ZRZVUOUGVQMVLB-MRXNPFEDSA-N 440.638 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCCC1(C)C 1507762173 QEEQCZBNAURPSE-PKTZIBPZSA-N 430.955 4.671 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2c(CC)noc2C)CC1 1507878226 UQEYEEHRYCQQFC-UHFFFAOYSA-N 429.471 4.610 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1507924281 KZMJPOKXXZPPIX-RBBKRZOGSA-N 433.600 4.772 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CCO[C@H]1C1CC1 1507974627 INKHILZXQBCNLW-LPHOPBHVSA-N 437.407 4.597 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1=CCCCC1 1507979132 OPOAGJBMHPTLFT-HXUWFJFHSA-N 429.609 4.905 30 10 IJEE CC(C)(C)c1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)n1 1508480193 IEUHMXFGQSSGKS-UHFFFAOYSA-N 445.596 4.749 30 10 IJEE C#CCOc1ccc(COC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 1515070075 IXDMECVWCMLMBX-UHFFFAOYSA-N 433.464 4.504 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CC1 1517898068 CNSXBEYCOIEZJM-RUZDIDTESA-N 437.588 4.704 30 10 IJEE C#CCCCCNC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1518898801 NWIWPIDMVHMIJY-UHFFFAOYSA-N 443.391 4.932 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)ccn1 1520051316 FEFCATIBCOAQLZ-UHFFFAOYSA-N 432.578 4.680 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 1528669648 HRYKYYCIFPXWMA-LJQANCHMSA-N 447.897 4.937 30 10 IJEE COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1cnn(CCC#N)c1-c1ccccc1 1529218902 HYYLPVYCVBGMLA-NRFANRHFSA-N 428.536 4.947 30 10 IJEE C#C[C@H](NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccccc1 1530133893 PPJYYXOZQZOTAS-KRWDZBQOSA-N 431.332 4.673 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 1532022616 YGYHIVXCQPRPNY-UHFFFAOYSA-N 427.323 4.761 30 10 IJEE COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 1537114400 DPEOFPSFLLZTJM-KRWDZBQOSA-N 433.533 4.581 30 10 IJEE C=C(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 1537409831 LXUBEBUDJSQEBX-UHFFFAOYSA-N 434.561 4.912 30 10 IJEE C=CCn1cc2ccc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C4NC(=O)OC(C)(C)C)cc2n1 1538562037 DUXIDORWMFPHKN-YZKRDWPBSA-N 438.572 4.880 30 10 IJEE COc1cc(Br)cc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 1538704831 AFIQHFXLEVUAJS-UHFFFAOYSA-N 427.323 4.988 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1539053781 ZVYHGLJMVBIXCW-DYXWJJEUSA-N 442.007 4.548 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CC(F)C1 1539059503 QDLNGSRDMDEUCA-UHFFFAOYSA-N 449.368 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCCSCC(C)C 1539569160 JXNQTDYSPPAKGB-HSZRJFAPSA-N 430.593 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(Cc1cccs1)C(C)C 1539626567 FKXHRAWWWJYBOE-NQIIRXRSSA-N 425.602 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccsc1 1539667583 KIDLLDXFMVINGI-LJQANCHMSA-N 445.633 4.905 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1539920337 CDUCFCWSYRKAIC-UHFFFAOYSA-N 429.634 4.539 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1539982420 VQLBXAIVBFNAJQ-FQEVSTJZSA-N 446.617 4.515 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539989939 AXQFBWHAXYCAQH-RIKCKFAHSA-N 438.616 4.933 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1540012232 FWXIMADLFNNTGJ-UHFFFAOYSA-N 437.975 4.649 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C)C2(CCC2)C1 1540029051 XHTUYKDNVPNGDD-IBGZPJMESA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1OCCC1(C)C)C1CC1 1540098596 FXDZWCCITCQUSK-OAHLLOKOSA-N 437.407 4.739 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN1CCC 1540121819 NWEWPHZFQMAMPC-HSZRJFAPSA-N 443.599 4.602 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC1C[C@@H](C)O[C@H](C)C1 1540137576 VAYDSODWJHWIGH-WOIUINJBSA-N 442.579 4.707 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCc1c[nH]nc1C 1540140185 LLJHXHHYZSMTCF-UHFFFAOYSA-N 443.580 4.735 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1OC 1543850065 YDVPNQIYBCTZBY-UITAMQMPSA-N 428.941 4.895 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)N3CCCC[C@H]3Cc3ccccc3Br)n2)c1 1544564881 GVWXUXHVBHKPOR-IBGZPJMESA-N 449.352 4.744 30 10 IJEE CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1546594188 DCUHGXNWSRCRGA-JXFKEZNVSA-N 436.947 4.569 30 10 IJEE CO[C@@](C)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1554578650 ATAKIOCKVFUKFQ-YADHBBJMSA-N 431.943 4.683 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc(C)n(-c3ccc(Br)cn3)c2C)cc1 1556538019 KYERNKRYMNRYHB-UHFFFAOYSA-N 440.341 4.746 30 10 IJEE C=CC1(CC(=O)NCC/C=C/c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1557655111 HCOIEFLUZQWHGZ-SOFGYWHQSA-N 449.389 4.782 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 1558050252 CLLSPIHXBWWGRL-AQNXPRMDSA-N 436.980 4.926 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccs2)n1-c1ccc(OCC)cc1 1559380509 GPOUZANAMSTENN-UHFFFAOYSA-N 442.610 4.911 30 10 IJEE C[C@H]1CN(c2ccc(NCc3cccc(OCc4cccc(C#N)c4)c3)cn2)C[C@H](C)O1 1560458705 BVXGYWKKVRTDKY-PMACEKPBSA-N 428.536 4.758 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(F)c(F)c1 1563892010 AWGHXHOEIZPNEG-FCHUYYIVSA-N 449.929 4.608 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1583436432 DOLQAIQAXZASFK-QGZVFWFLSA-N 434.989 4.635 30 10 IJEE N#Cc1cccc(OCC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1 1584418632 HVCCQOLJDPPITF-SANMLTNESA-N 445.950 4.524 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1587043852 OUEFFDCTMWUYOZ-KBXCAEBGSA-N 425.356 4.773 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(CC(C)C)CC2)CC1 1588780740 WCGPFRFWCTWMHD-UHFFFAOYSA-N 446.426 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCC)C1 1589516133 WZMFKNPMJQVYOG-WFXMLNOXSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1cccs1)C1CC1 1594448496 HPECHFUDPAKZDO-UHFFFAOYSA-N 436.585 4.758 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](OCCOC)C1 1594692870 JHQKDYGYDHXSHX-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CCCS1 1595120371 SKFMSEVQBPYAGT-XMMPIXPASA-N 436.629 4.618 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1ccc(OC)c(Br)c1 1595142617 SMPGWTZCOOEQJC-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1cccc(OC)c1 1595156639 OHRYRONROJLWJN-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCOC[C@@H]1C 1595238904 ANDYVVPTVFNUCS-NZQKXSOJSA-N 431.584 4.556 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1OC 1595342306 KRCAYXNHJNFCSO-TZHFBHIYSA-N 446.591 4.975 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC[C@H](C)C2)C1 1595688389 IDMWPTXBNVFOQH-SQGPQFPESA-N 445.405 4.925 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)c2cccs2)C1 1595745647 UWYFVEOECWLXJM-NRFANRHFSA-N 436.625 4.884 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC(C)(C)c3cccc(Br)c32)c(OC)c1 1596017939 WLISQCMFGKOOKS-UHFFFAOYSA-N 430.342 4.889 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)CCCN1C(=O)OC(C)(C)C 1598508024 TZGRKGQUTSDVCD-KOSHJBKYSA-N 430.545 4.565 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3ccccc3OC)N3CCCCC3)c2c1 1611833667 AREWITXKXVIQRF-JOCHJYFZSA-N 446.551 4.771 30 10 IJEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)o1 1613864828 CQCQDJBKZZUOOQ-QGZVFWFLSA-N 448.571 4.508 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1Cl 1617301580 FQXHSOKREPJWTH-GOSISDBHSA-N 439.890 4.959 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(OCCSc3ccc(Cl)cc3)cc2)C1 1631101663 JIMCQPVYYKWTGG-OAQYLSRUSA-N 447.000 4.998 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccc(Br)cc1 1631208063 LGWWZKDZZSNWGN-KSSFIOAISA-N 431.330 4.509 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(Br)cc1 1632132295 IMCLMPAUZTXTNA-IMFGXOCKSA-N 446.414 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 1634845585 UOXTUXRJMIVDOZ-YJBOKZPZSA-N 430.442 4.537 30 10 IJEE C#C[C@H](NC(=O)Cc1c[nH]c2ccc(Br)cc12)c1ccc(Br)cc1 1641520904 IADDTPOCVCMIQU-KRWDZBQOSA-N 446.142 4.726 30 10 IJEE C#C[C@H](NC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1641834952 FECURXGKTYZYQW-DEOSSOPVSA-N 432.564 4.860 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 1652554500 FBOHIHYYYSXDGE-LAUBAEHRSA-N 438.503 4.799 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)cc1OC 1652778664 FDMXLKOBMPJEIN-YJBOKZPZSA-N 431.964 4.875 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(N2CCC(C)CC2)cc1 1655557262 FQWZMYJWAXZWBW-UHFFFAOYSA-N 427.386 4.987 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(Cl)nc(OC)c1 1662553086 MMGRWRZZPBXHCE-UHFFFAOYSA-N 428.689 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(c2cccc(Br)c2)CCCCC1 1669825586 GFMMLLDYDWCZEJ-XLIONFOSSA-N 435.406 4.931 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(Br)c(Br)cc2C1)c1ccccc1 1674025758 MDHRDDMGEQJYIC-SFHVURJKSA-N 448.158 4.654 30 10 IJEE C[C@H](CO)N(CC1CCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1674192685 DPFQESHMNGWVFV-MRXNPFEDSA-N 427.932 4.805 30 10 IJEE CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 1675159377 GMMOHJVHMZCIHI-GOSISDBHSA-N 434.540 4.808 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 1684008607 QGRRIIDEDQXUET-FQEVSTJZSA-N 429.561 4.638 30 10 IJEE C=CCC[C@H](NC(=O)N1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1)c1ccccc1 1685799197 QCWMQDHERWILSO-KSNOWIBYSA-N 427.589 4.982 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1690247507 BMCHCBCTQHDJFM-UGKGYDQZSA-N 446.517 4.857 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1690319082 CDKHIRFGJBJYTP-MRXNPFEDSA-N 440.922 4.585 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCOCC2CCOCC2)CC1 1690363779 BHQYPOZTXTUVCP-DEOSSOPVSA-N 438.616 4.810 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1690468055 QIGVXXQFTMQDTF-HSZRJFAPSA-N 428.602 4.555 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690478249 QMIGMHHRCKARAK-UHFFFAOYSA-N 428.540 4.534 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(c2ccccn2)CCC1 1690516737 RHRZPDVOEYHSGA-UHFFFAOYSA-N 438.373 4.847 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)OC 1690575842 CJRQOHWSKBYFSY-OAHLLOKOSA-N 432.977 4.896 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2sc(C)nc2C)C1 1690688402 UWLOLASTKFNRQY-SFHVURJKSA-N 429.977 4.501 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1Cc1nc(C(C)(C)C)cs1 1696676360 FVVULOZZADIXTK-UHFFFAOYSA-N 443.580 4.650 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(F)F)C1 1705760666 OXJXEDHJSKUELN-CABCVRRESA-N 445.942 4.584 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ccccc2)CC1 1705795459 KKQMDNNCGXGYGF-GOTSBHOMSA-N 438.616 4.988 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1705797152 QTQRIEKCWTZRDH-ICSRJNTNSA-N 444.505 4.817 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 1705847720 CSOFDJOXIPTWNV-PBHICJAKSA-N 427.515 4.645 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC(F)(F)C1 1705879774 LCOHSGYPSXRVPW-LJQANCHMSA-N 427.499 4.527 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC2(C)CC2)cc1Br 1711732041 FBPIQDVSZTYAQV-AWEZNQCLSA-N 432.366 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@@H](C)C1 1722507024 WYGBAZRWPOPOIJ-MSOLQXFVSA-N 428.577 4.810 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1722520375 JJSCIARIARZJFG-UHFFFAOYSA-N 438.963 4.575 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@@H]1C 1722546983 GAANDRDLCYPMSG-NSHDSACASA-N 431.762 4.541 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1722579249 DJTVJBRRIKJNCR-FQEVSTJZSA-N 431.625 4.717 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=C)Br)CC1 1722583246 SWWUNAFDQYQQJU-UHFFFAOYSA-N 437.769 4.822 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722590832 BAASBNDZMNCVTG-UTKZUKDTSA-N 434.415 4.886 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722606148 FZJIBXLMHMQULQ-FCHUYYIVSA-N 425.621 4.749 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722613023 OYRORPZYHZTQAW-FQEVSTJZSA-N 437.632 4.851 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1722619217 VISWBJQJKYTFIW-HXUWFJFHSA-N 437.613 4.620 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1c(C)noc1C 1722742598 YYTFQUQKDNGKBF-UHFFFAOYSA-N 436.585 4.511 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1726962509 BUISIGOJAMKKJI-PNCHPQGNSA-N 432.613 4.567 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740585573 WFAJPGMPVSJVRR-SFHVURJKSA-N 446.580 4.580 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)N1CCC(C)CC1 1740600856 SNZYEQSRGZYPEP-IBGZPJMESA-N 448.640 4.567 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCCC1CCOCC1 1740676562 HAUGNQZIDNMQNK-UHFFFAOYSA-N 447.558 4.634 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740741302 IBQKLVPGQNAJDV-INIZCTEOSA-N 449.393 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1CCN(C2CC2)CC1 1740767859 AJJQSKFDSRCFAS-UHFFFAOYSA-N 445.558 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1740768367 IZXYXVPJCSBBKH-ROUUACIJSA-N 428.577 4.568 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](NC(=O)CC)C1 1740778307 VHZGJPVEAJQHRP-HNNXBMFYSA-N 444.004 4.884 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1740814820 DPLGHGYNKVEDCR-UHFFFAOYSA-N 444.023 4.620 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(CCOCC)CC2)CC1 1740823538 DHJDYBKQLBBDJC-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740849504 LBJXRQJPSZYNTG-FQEVSTJZSA-N 448.590 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc2ccccc2[nH]1 1740851237 YKELGWMOTCGETG-UHFFFAOYSA-N 431.588 4.860 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740871199 UJHQFMDSZYZVBO-HSZRJFAPSA-N 435.616 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)CC 1740922891 WBWXMMVQHYRBQO-DEOSSOPVSA-N 433.581 4.908 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2[C@@H]2C[C@H]2C(C)C)C1 1740985259 OXQGFHLDIBGHFM-CEXWTWQISA-N 428.602 4.577 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H]1CCCOC1 1740996437 BXKMGRFJOYUFGF-ROUUACIJSA-N 446.686 4.913 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1741004599 GEBNBTNSFUUWJW-IRXDYDNUSA-N 430.643 4.590 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCCCC1 1746886724 FSCKZDNECKBJAN-VWLOTQADSA-N 437.588 4.966 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCSCC(F)(F)F 1748906992 FAQFJCGCYXHWIV-AWEZNQCLSA-N 446.926 4.827 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1749037614 GNYNQOBTRNMBHT-UHFFFAOYSA-N 444.620 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](OC)C(C)C 1749054323 RSDFQJRFRQDTPJ-DHJUGAMNSA-N 430.980 4.735 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749089878 DSAVRXHLWZCWIF-MRXNPFEDSA-N 439.785 4.758 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1749120629 GTPHRSDUBFOUEE-PZJWPPBQSA-N 425.964 4.710 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCC1 1749554757 YIYALGJTJZOLBT-UHFFFAOYSA-N 426.561 4.567 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)c1nc(C)cs1 1749594930 UNRQQQXHYQZXNL-HNNXBMFYSA-N 431.993 4.806 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1749616143 SCBDPDIJADCQAR-OAQYLSRUSA-N 439.604 4.747 30 10 IJEE Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)s1 1751526324 CCSZLGZBVQVLRR-DNVFCKCGSA-N 427.618 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCC[C@@H](O)C1 1760101811 VMGIVOJVIJBVJM-ARFHVFGLSA-N 428.989 4.822 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760328452 VXFNYWQVBKRMIN-SRYPRDQNSA-N 426.630 4.952 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1760343137 AQOARDSQJRNYON-OAQYLSRUSA-N 432.616 4.874 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCOCC)CC1 1760385802 YZZQVEDXRHLHMW-UHFFFAOYSA-N 425.758 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760398631 FVOHVVBJUOYQGY-HJPURHCSSA-N 432.996 4.807 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C(C)(C)C)no2)CC1 1760405445 YSPGWYGQQCAWCF-UHFFFAOYSA-N 435.572 4.636 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760406488 FJMZBLRWUKZOCR-NRFANRHFSA-N 435.616 4.529 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1760419866 DNNJHKKHXHLRMC-LZTCXMBHSA-N 438.616 4.913 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCOCC2)C1 1760422251 CYOUAVRBOSBMKR-UHFFFAOYSA-N 438.616 4.985 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760429913 UESRWOHDDNAQSC-YADHBBJMSA-N 425.621 4.749 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760433789 VYBJAXKLTUPUOB-DHIUTWEWSA-N 433.604 4.836 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CCc1cccs1 1760482298 FUCJGISWWFPVPN-UHFFFAOYSA-N 432.597 4.637 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1760487784 DLDHTAJTNBVAIL-PXDATVDWSA-N 436.604 4.675 30 10 IJEE C[C@@H]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 1762790754 HKNRZRIMJKIMCW-IRLDBZIGSA-N 434.632 4.811 30 10 IJEE Cc1c(Cl)cccc1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12 1858242637 DMEQAKLQRPCKJI-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE N#Cc1ccccc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n(Cc2ccccc2F)n1 1859412486 DLLZSZUQWIZGTF-UHFFFAOYSA-N 441.422 4.770 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(C)cc2)cc1 1862389447 GGIAVLAFUCIBPX-XMMPIXPASA-N 443.547 4.882 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(C)c2)cc1 1862390117 WAFCMXQJSFJBSV-XMMPIXPASA-N 434.580 4.868 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1Cl 1862436235 OKQBRPATKUUFMK-LJQANCHMSA-N 426.856 4.769 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(N(C)C)cc1 1862460363 VOODDEQUGWPJGP-YUNKPMOVSA-N 432.442 4.547 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@@H]2c2ccc(F)cc2)cc1 1862474830 WGOJBKLIZBKGMF-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(Cl)c1 1862490838 FIKHMXQLTXUKKA-NRFANRHFSA-N 427.928 4.962 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)c1 1862506466 OEZPHRZVQIFQGW-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2Cl)cc1 1862535190 BOOOMZIBIOQICK-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862560184 BKFFFBKLTIZLIS-HSZRJFAPSA-N 441.531 4.740 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc2cc[nH]c2c1 1862608395 MWNXRTJAUIXZHC-QHCPKHFHSA-N 446.503 4.708 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862662888 MUKAQHLQAABJNU-FYYLOGMGSA-N 435.520 4.576 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862670646 YVNYUZCJLKMJKH-HSZRJFAPSA-N 435.520 4.958 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862835857 ZLNMGADIFNODMA-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CSc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)c1 1862953827 SVDSSDNLXTWAQW-UHFFFAOYSA-N 447.466 4.955 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCC)C1=O 1863544634 ZNHDMVOPWPPGNL-UHFFFAOYSA-N 427.589 4.865 30 10 IJEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1c2c(nc3c(Cl)cccc13)CCC2 1866276944 JKYSPQWJIKVUKJ-UHFFFAOYSA-N 431.858 4.826 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866724082 MHLMCVKXMVYSLG-ZEQRLZLVSA-N 449.620 4.935 30 10 IJEE CN1CCN(c2cc(Nc3ccccc3C#N)nc(C(C)(C)C)n2)C[C@H]1c1ccccc1 1868350872 NUMUZLSGLDYVTI-QFIPXVFZSA-N 426.568 4.882 30 10 IJEE C=CCOc1cn(CCCCCCO)c(CSc2nc3ccccc3s2)cc1=O 1870244794 IKUMMNPQTXMZEA-UHFFFAOYSA-N 430.595 4.868 30 10 IJEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CSc1ccc(Cl)cc1 1870280089 RMWFJAVFMUWQPJ-UHFFFAOYSA-N 447.000 4.617 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCC)cn1C[C@@H](c1ccccc1)N1CCCC1 1870657296 KDQZAPBJWLGVFK-VWLOTQADSA-N 435.612 4.648 30 10 IJEE Cc1c2c(cc3c1O/C(=C\C=C\c1ccccc1)C3=O)CN(CCCn1ccnc1)CO2 1871354902 HFGLGBUICFSNQX-LZIGBDTQSA-N 427.504 4.606 30 10 IJEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871390453 XKTHZIRMOULKOV-HMAPJEAMSA-N 443.455 4.787 30 10 IJEE Cc1cc(O)c(CN2CCC[C@H](CO)C2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871398641 MYWHFJRHEGRYIA-ZFOCZIKRSA-N 448.346 4.828 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c(OC)c1 1871420159 XEZAZHJFOYRCAE-UUYOSTAYSA-N 449.459 4.547 30 10 IJEE Cc1cc(OCC(=O)NCc2ccco2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871444827 ABYMGFMMXUYLSI-JMIUGGIZSA-N 441.842 4.692 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871865084 RSDFHZNHOBJMLV-GOSISDBHSA-N 445.343 4.727 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 1872264709 BVFOYZYDBCQGPS-QGZVFWFLSA-N 444.981 4.915 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 1872266181 PKABQYDEBDROPK-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760445 OORKQCHSSDFCRQ-KRWDZBQOSA-N 435.461 4.538 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2ccc(OCCC)cc2)C1=O 1873374772 KKHSSCRHCJSBPZ-UHFFFAOYSA-N 434.536 4.951 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(Cc2ccc(C)c(C)c2)nnc1SCCO 1874360650 QBDAIQIBRQTFIM-WGOQTCKBSA-N 446.576 4.614 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874400023 GFXUDPIOMFTZQE-HKNSOBRKSA-N 449.363 4.884 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccco1 1874438530 ZLJKBUVYQMBFEA-YDZHTSKRSA-N 425.558 4.690 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(F)cc2)o1 1874454312 BHEUWYQJFLZNKK-FSJBWODESA-N 428.489 4.629 30 10 IJEE CCCCCCCCC(=O)NCCCc1nn2c(CCc3ccccc3)nnc2s1 1874796022 AOYJALOEELEAAH-UHFFFAOYSA-N 427.618 4.770 30 10 IJEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1875149706 CSLFMSWWRGPKPM-RMKNXTFCSA-N 436.847 4.949 30 10 IJEE C#Cc1cc(CC(=O)OC)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1887524926 NBHHOPHJUXXOHG-UHFFFAOYSA-N 425.484 4.769 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3sc(C)nc3C(F)(F)F)cc21 1889524904 SKKZNKBIZROJIS-UHFFFAOYSA-N 439.459 4.660 30 10 IJEE O=S(=O)(c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CCC(C(F)(F)F)CC1 1892256849 HWNNWOISMZBNJP-UHFFFAOYSA-N 429.304 4.687 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(F)c(Br)cc2F)C1 1895028828 FUMZHIUJZWIKBG-MRXNPFEDSA-N 431.321 4.849 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(F)cc1Br 1898226420 YISMVYORJMLELS-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE C=C([C@H](NCCC)[C@H](O)c1cc(Br)c(Br)o1)[Si](C)(C)C 1922926196 IBFWCNVDYCQFQZ-QWHCGFSZSA-N 425.237 4.640 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1949711529 AZCNFNAQJHBWHN-OALUTQOASA-N 426.565 4.974 30 10 IJEE N#Cc1ccc(C[C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951639268 XYCCORBFEINJTP-HXUWFJFHSA-N 440.499 4.873 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 1988813774 FALHFSICQPFFKJ-SVQXRNPESA-N 425.545 4.652 30 10 IJEE C#Cc1cccc(N(CC)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1 2059473041 OIHVYLKBMGCTQT-AUSIDOKSSA-N 436.552 4.519 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(Cc2cc(F)ccc2C(F)(F)F)c1Br 2080182757 XNFBEASTZCMWLU-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2081875848 HXYRLSSFRVYAII-HXOBKFHXSA-N 449.523 4.532 30 10 IJEE C=CCN(C[C@H](NCCC)c1nc(C(C)C)[nH]c1Br)C(=O)OC(C)(C)C 2087653181 RSVIXAOPGXSHQV-AWEZNQCLSA-N 429.403 4.759 30 10 IJEE CC1(C)OB(c2ccoc2CNc2ccc(Br)c(Cl)c2F)OC1(C)C 2101330681 DCBJXEYUMUJRFT-UHFFFAOYSA-N 430.510 4.746 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124521332 FOBYDRCTUSCOMR-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(c2cc(Br)cc(F)c2C#N)C1 2139847683 ACFPNCHIMCHNNB-LBPRGKRZSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNc1cc(Br)cc(F)c1C#N)C2 2182504626 JTQOAJCQXNCOMP-JCGVRSQUSA-N 438.341 4.907 30 10 IJEE C[C@H](Oc1ncccc1B1OC(C)(C)C(C)(C)O1)c1ccccc1NC(=O)OC(C)(C)C 2232306122 JXIXEBIZJOGMOW-INIZCTEOSA-N 440.349 4.868 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@@H](O)C#Cc1ccccc1Br 2235738844 CZBUROCJWBTVGR-QUCCMNQESA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@@H](N)C#Cc2ccccc2Br)CC1 2235747626 RJFBSJXELMAMBQ-MDKPJZGXSA-N 439.369 4.551 30 10 IJEE CN(Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2255656180 XNHFVYFZUZGYDP-UHFFFAOYSA-N 430.354 4.618 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2261827284 GLZCAHHYYUYWOI-RUZDIDTESA-N 447.572 4.799 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2261831804 JENZAAHXAARDJG-BWKNWUBXSA-N 447.572 4.655 30 10 IJEE N[C@@H](C#Cc1ccc(Br)cc1)c1ccc(I)c(Cl)c1 2278795196 DEDSCNKJHGIXKL-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(CCNC(=O)OC(C)(C)C)CCC1 2296223205 ZWDYIGLASMKMDR-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CC(C)(C)OC(=O)N1CCCC12CCC(N)(C#Cc1cccc(Br)c1)CC2 2296286344 KIFJUNVAIMDMCG-UHFFFAOYSA-N 433.390 4.842 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@@H](N)C#Cc1ccc(Br)cc1 2296305856 ZITOMULNSZAZRS-FQEVSTJZSA-N 429.358 4.568 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CCCCC1 2296309566 XEYAHUNTNNOMAQ-IBGZPJMESA-N 435.406 4.864 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]12CCCO[C@@H]1CN(C(=O)OC(C)(C)C)C2 2312493297 YQIYYWPZHHCXPJ-JQYIIUTOSA-N 444.616 4.544 30 10 IJEE CCOc1cccc(C=C2Oc3cc(OC)ccc3C2=O)c1OC(=O)c1cccc(OC)c1 2314527489 VQZLBCFXCUDGGX-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2O[C@@H](CC)C(C)=O)SC1=Nc1ccc(O)cc1 2314927777 KWVBJTKPAHIEAQ-FQEVSTJZSA-N 436.533 4.929 30 10 IJEE CCc1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C2CC2)cc1 2320872017 RXPFCGBWYPZJLO-UHFFFAOYSA-N 430.537 4.541 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1-c1ccccc1 2321669731 XZAABRFUISMMTM-UHFFFAOYSA-N 435.827 4.500 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1c(C)nn(C)c1C 2321769981 LUVAXHSGLHYULL-UHFFFAOYSA-N 447.406 4.518 30 10 IJEE Cn1ncc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c(Cl)c1=O 2322630851 HNSRWCGZUYGIRP-UHFFFAOYSA-N 437.714 4.766 30 10 IJEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2323725262 BDXJPNYLIGNWDZ-UHFFFAOYSA-N 428.440 4.878 30 10 IJEE CN(C)C1CCN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)CC1 2324158723 ZKRBNCRDVRIJHM-UHFFFAOYSA-N 447.362 4.841 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1Cl)C2=O 2325074164 LRSVOESMSGSCJZ-HNNXBMFYSA-N 430.884 4.612 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c1 2325385024 WHQHYOWHHZCJTE-UHFFFAOYSA-N 431.444 4.733 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 2325684182 VCGICMDMBJOXKW-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc1OC 2326237941 OUDHMVMXTQFPLO-UHFFFAOYSA-N 444.532 4.706 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2327635775 RXDLZDXRJSDLMM-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccccn2)cc1 2328570581 WSWLVCKDGUUVKP-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SCCO)cc1 2329696380 HVUWGPABRRZPJY-UHFFFAOYSA-N 444.626 4.660 30 10 IJEE Cc1cccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(O)c(O)c2)c1 2329889277 INNYIOCTRROUSI-UHFFFAOYSA-N 446.532 4.751 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330066963 YUJHPAFNSJTOHX-NRFANRHFSA-N 432.605 4.869 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1O 2330994357 QOLOYIGURKNYIW-SFHVURJKSA-N 444.944 4.672 30 10 IJEE COc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 2331162973 DJDAGNZQKOLMCR-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)COC 2331231862 MAFHOHCSCLQQSZ-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c(F)cccc1Cl 2331362920 YYMJVSPDNGTDTI-UHFFFAOYSA-N 445.951 4.981 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccccc1F 2331450385 BYSSAOZSMHCZRV-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc(Cl)c1 2331678844 XCRIKEAZIUPTEU-UHFFFAOYSA-N 431.924 4.807 30 10 IJEE CCOc1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)cc1 2332148695 ACQBCCZHAVDERL-UHFFFAOYSA-N 442.306 4.555 30 10 IJEE Cc1cc(CN(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343699729 ZTLVGQVSZRQOAP-XMMPIXPASA-N 435.417 4.864 30 10 IJEE COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccc(C#N)cc2)CCC(=O)N1c1ccc(C)cc1 15326636 BZOGXQPKCDATJE-ZEQKJWHPSA-N 439.515 4.998 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccccc1F 35444802 JRWLQRSZBBJCTF-URYZVYFESA-N 436.527 4.536 30 10 IJEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3ccncc3)C4=O)oc12 41354064 IOFRZVPNYQFVMX-JAIQZWGSSA-N 427.412 4.980 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccc(C)cc1 59021058 XIKGMPZRMHKWDQ-MSXFZWOLSA-N 449.367 4.987 30 10 IJEE COc1ccc(/C(C)=N\Nc2nnc(SCc3c(C)cc(C)cc3C)[nH]2)c(OC)c1 59022767 ASGKWUBGYMNXHY-JLPGSUDCSA-N 425.558 4.876 30 10 IJEE O=C(/C=C\c1ccco1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 96892945 STAQIVISCRLDLB-UFTUAFODSA-N 442.298 4.993 30 10 IJEE Cc1ccc(S(=O)(=O)/N=C2/C=CC(=O)C(Sc3nc4ccccc4s3)=C2)cc1 102629339 POSKZGKNFCRYNW-HMAPJEAMSA-N 426.544 4.550 30 10 IJEE O=C1/C(=C\c2ccc(F)cc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 102731671 CKKGWSFSWUVBPT-RGVLZGJSSA-N 430.840 4.863 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC 169902190 IZEWVHLOPZZLMH-YDZHTSKRSA-N 438.977 4.666 30 10 IJEE CCN1C(=S)N[C@@H](c2ccc(OC)c(OCc3ccc(C)cc3)c2)C2=C1CCCC2=O 169933063 QYNLLPRPPNHYES-DEOSSOPVSA-N 436.577 4.841 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccs1 169983598 HCACGTFUTQYPDE-JOCHJYFZSA-N 433.485 4.579 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccncc2)c1 170024985 MWHYIXIBAYYRDR-HSZRJFAPSA-N 430.479 4.659 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2sccc2C)cc1 170105916 ZCULZYKVBQWRKN-HXUWFJFHSA-N 449.484 4.577 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccn2)c1 170174582 XGIGVAZYVWYDBD-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3ccccc3)oc12 170224731 IKCQVLCOOVRHTQ-JOCHJYFZSA-N 441.439 4.930 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)c1 170227916 FJHYMJPKGHDVTR-VOIUYBSRSA-N 441.483 4.807 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)cc1C 170242066 BUIKTJSKHPIUCG-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(CC)cc2)ccc1Cl 170264797 MTUHCUFYODISFF-NRFANRHFSA-N 443.927 4.526 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(OC)c(O)c1 170322422 AGEWUNATAQKLPN-JOCHJYFZSA-N 434.492 4.651 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170328641 XPZIQRCJDLLHPQ-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccccn1)c1cccs1 170350862 JYYKTMRILFONBR-KRWDZBQOSA-N 446.406 4.825 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(O)cc1)c1ccco1 170450274 FVRKTCZXBSCFPM-LJQANCHMSA-N 443.377 4.783 30 10 IJEE CCCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2cccc(C)c2)cc1 170459290 CYLOLCRINLYNIG-QFIPXVFZSA-N 435.520 4.683 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CC 460278987 DRBKHXBUHUQUOT-VXKWHMMOSA-N 433.512 4.644 30 10 IJEE CC(C)C[C@](C)(C#N)NC(=O)c1cc(I)c(Cl)cc1Cl 486320554 UTEGKJBBTPOLEK-CQSZACIVSA-N 425.097 4.656 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(O)c(OC)cc5[C@@H]4C)[C@@H]3C[C@@H]12 504113621 KWBZASDHYSHVQB-SRSXURHYSA-N 425.569 4.634 30 10 IJEE biogenic COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2ccc(Cl)cc2Cl)c1 526826592 XKHGCZMHBSENKB-YVNNLAQVSA-N 435.336 4.854 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)c(Br)c1)c1ccc(F)cc1 721301435 GFAWHELFVWNNNG-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1cccc(N2CCOC2=O)c1 740037717 FHNLJSZHRZJCIO-INIZCTEOSA-N 446.532 4.804 30 10 IJEE CCCOc1ccccc1NC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CC)C1=O 743523888 FDMKQCYJXLMRCQ-FQEVSTJZSA-N 443.544 4.903 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c(Cl)c([N+](=O)[O-])c1 764315354 NXMUSBNTZCXGER-NWDGAFQWSA-N 425.750 4.761 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H](C)c2c(F)cc(F)cc2F)nnc1-c1ccco1 773086417 BSWZFHNFOUDLRW-GFCCVEGCSA-N 437.443 4.928 30 10 IJEE N#Cc1ccc(CC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)cc1 781367276 IEGWTKICRVTALC-QHCPKHFHSA-N 438.449 4.882 30 10 IJEE CC(=O)N(c1nc(/C=C/C(=O)c2ccc3nc(O)oc3c2)cs1)c1ccc(F)cc1F 794711939 GPNMXIOUDUDJMT-QPJJXVBHSA-N 441.415 4.849 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 800787375 APCLWBXEPRHMSJ-UHFFFAOYSA-N 426.923 4.720 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)c1 814629609 DKNFPFDOFYMTAY-KDURUIRLSA-N 429.561 4.752 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2cccc3ccccc23)n1)Nc1ccc(F)cc1 1083922652 WWVIADFVBATDBW-UHFFFAOYSA-N 434.500 4.664 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccccc3O)n2)cc1 1084119770 BLQMXGWNDDLXBI-CQSZACIVSA-N 438.557 4.591 30 10 IJEE CCNC(=S)NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12 1084420299 DPJZPTHATOSFSS-UHFFFAOYSA-N 442.382 4.999 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1cccs1 1084519270 MJVNCCGCKKRUMY-UHFFFAOYSA-N 441.369 4.740 30 10 IJEE N[C@H]1CCCC[C@@H]1N/C(=N/Cc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 1088664713 HZXAFRKTHXQQLI-WMZOPIPTSA-N 435.355 4.550 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)cc1 1125155935 QJERLZMHBCNGHI-QHCPKHFHSA-N 448.588 4.848 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cnc1C1CC1)c1ccc(Br)cc1 1129610227 IMSZALCWJGZFEP-INIZCTEOSA-N 434.131 4.588 30 10 IJEE C#Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 1129715295 STNCXIQMEUNZTO-IBGZPJMESA-N 432.442 4.569 30 10 IJEE C#C[C@H](NC(=O)c1cc(CC)nc2onc(CCC)c12)c1ccc(Br)cc1 1129729909 ALSQDBMZNFAAFI-KRWDZBQOSA-N 426.314 4.605 30 10 IJEE Cn1ccnc1[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)cc1F 1134668858 CUADRCGGBYTHPG-QHCPKHFHSA-N 444.441 4.882 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 1137750925 PLJRCRZLTTZPAZ-HOCLYGCPSA-N 436.421 4.934 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C 1159779635 VYLGRENFNJDXFG-QGZVFWFLSA-N 432.446 4.687 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 1213840603 KOQWJSCPWDXUJH-QGZVFWFLSA-N 439.320 4.603 30 10 IJEE C#CCN(C(=O)N[C@H](CC(C)C)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1222306456 CILQBARCRAUBJS-JOCHJYFZSA-N 427.589 4.818 30 10 IJEE CC(C)[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 1226146193 HAPAANJBWZOPTE-OAQYLSRUSA-N 448.464 4.945 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1)c1ccc(Cl)cc1 1230488567 AHQCWAKOPVLUKE-SFTDATJTSA-N 431.964 4.637 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1 1252458652 LPWDUJFYZMFIMD-QGZVFWFLSA-N 441.247 4.864 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1=Cc2cc(OC)ccc2OC1 1264905857 OUXUMRVWYSXIMS-UHFFFAOYSA-N 432.289 4.587 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c(OC)c1 1269078198 SGBBTGHZVGKTFY-IBGZPJMESA-N 435.549 4.761 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H](C)SCc1nc(O)c2ccccc2n1)c1ccc(F)c(F)c1 1269600325 NNVHDZYKJRKTJK-RNODOKPDSA-N 429.492 4.669 30 10 IJEE CCOc1ccc2c(c1)[C@H](NC(=O)c1cccc(OCc3ccccc3C#N)c1)CCO2 1269721121 DGJAQHKJODHEPE-XMMPIXPASA-N 428.488 4.790 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)S[C@H](C)C1 1286498593 KHKPZUUBNDDNIM-CALCHBBNSA-N 446.711 4.972 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](SC)C(C)(C)C 1286578360 HQKHCAHSBBGWNY-GOSISDBHSA-N 440.617 4.774 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC(F)F)cc1 1286579608 SHQXEPHZVWIRPU-UHFFFAOYSA-N 433.528 4.686 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1286586183 XLZRDCDEXHCACL-MBSDFSHPSA-N 428.602 4.726 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1286597295 FYQJDPZZJBDUEI-UHFFFAOYSA-N 432.515 4.848 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N(C)C1CCN(CCC)CC1 1286669768 SAKWHJMWUPVWSR-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1286681727 RWDVKOUWCUECMG-FQEVSTJZSA-N 427.643 4.848 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286689628 XDOXUASFSBNEHX-UHFFFAOYSA-N 449.643 4.763 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1 1286698916 KGZQNNPFFAAZJA-OAHLLOKOSA-N 425.396 4.599 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(F)(F)c1ccccc1 1286728678 FKTUFSMDHLXFSB-SFHVURJKSA-N 447.530 4.764 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1ccnc(C(C)(C)C)n1 1286728807 HUWWLUPLGCCQQX-WOJBJXKFSA-N 440.636 4.539 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@]1(O)CCCC1(C)C 1286748097 STJRJHQLDPUKRO-RUZDIDTESA-N 437.563 4.557 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC(F)(F)F 1286827767 ZURWSXJRNOSIHJ-UHFFFAOYSA-N 434.915 4.915 30 10 IJEE C=CCn1c(SCC(=O)NOC[C@H](C)CC)nnc1-c1ccc(Cl)cc1Cl 1298607157 RHIBMLSCFRSNTN-GFCCVEGCSA-N 429.373 4.624 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1300357575 QSZBKCJCEHAUPV-XMMPIXPASA-N 438.579 4.783 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)c1ncc(C)s1 1300443921 PKGCMTREJJBKPS-QGZVFWFLSA-N 447.564 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300872279 APLDHIHNKQQBFG-VJBWXMMDSA-N 449.599 4.582 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1300980823 WIYKJNGVUDMFPU-HSZRJFAPSA-N 448.615 4.910 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCN1CCCCCC1)C1CC1 1301316823 JKANJUKMVLECAY-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1ncc(CC)s1 1301351087 IVMDDNNNJAPIPO-FQEVSTJZSA-N 441.576 4.919 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1301609276 GOGJKNZWMMTISY-QGZVFWFLSA-N 449.665 4.594 30 10 IJEE C=CCC[C@H](C(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21)c1ccccc1 1302619318 CAQIURNLZYVUGZ-QUCCMNQESA-N 430.470 4.935 30 10 IJEE C#C[C@@H](NC(=O)Nc1nccc(N(CC)C2CCCC2)n1)c1ccc(Br)cc1 1310702458 HOQZNSAPHXHJOS-GOSISDBHSA-N 442.361 4.504 30 10 IJEE C#CC1(NC(=O)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)CCCC1 1311431315 CJNKNDYMJHLFOO-UHFFFAOYSA-N 433.552 4.538 30 10 IJEE CC1(C)OC(=O)c2c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cccc21 1358017063 HJLBTLBSYHVHRM-UHFFFAOYSA-N 430.435 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCCC[C@H]1C 1358886624 HPMVXSOLDKEIPX-LEWJYISDSA-N 446.599 4.713 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccccc1C 1358921661 FWQMWJOFEVZUJF-INIZCTEOSA-N 426.362 4.955 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1Cc2ccc(Br)cc2C1 1359057481 AELDFZWISKUZAT-UHFFFAOYSA-N 433.419 4.516 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1359122943 GONMPSVTFVNOJK-UHFFFAOYSA-N 426.546 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 1359188397 MSJNUUSYNVKMQB-MJGOQNOKSA-N 449.615 4.789 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2OC)n1CCc1ccc(Br)s1 1359236364 JBIULFGRMXVBDO-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1cn[nH]c1 1359268320 LONQIOYGUXZZLZ-UHFFFAOYSA-N 447.768 4.505 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC2CCC(F)(F)CC2)C1 1359323061 HJRUNUSWOBFQME-OAQYLSRUSA-N 430.543 4.784 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1359340055 ZIQLFEDCEOAVEY-QUCCMNQESA-N 442.629 4.898 30 10 IJEE COc1ccc(-c2nc(COC(=O)c3ccc(Br)cc3C#N)cs2)cc1 1360701661 COFRGUAKVOFWOU-UHFFFAOYSA-N 429.295 4.810 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CCCN1C(=O)OC(C)(C)C 1436165886 POJRMEYLQQXDHR-NRFANRHFSA-N 435.496 4.965 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc3ccccc3nc2C(=O)OCC)cc1OC 1436990587 PWWCHZBFJXWYRD-ACCUITESSA-N 432.476 4.637 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 1441502517 VRTIEIDGYKULNR-CJNGLKHVSA-N 445.785 4.532 30 10 IJEE CN(C(=O)COc1ccc(C#N)c(Br)c1)c1nc2cc(Cl)ccc2s1 1459809382 FXPWWSRJTGPJOO-UHFFFAOYSA-N 436.718 4.626 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)cc1 1460043716 VTJQAIXIOPDPFO-HNNXBMFYSA-N 428.160 4.799 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OC2CCC(C)CC2)CC1 1465021095 JSXUOWWYJBNURD-KVWWFHCMSA-N 429.001 4.609 30 10 IJEE C#CCN(C(=O)c1cc(O)c2ccsc2c1)[C@H]1CCOc2ccc(Br)cc21 1465179432 CSQCDDXURBJTDS-KRWDZBQOSA-N 442.334 4.969 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1465331438 LXFPPBLGGDCIPE-KGLIPLIRSA-N 445.397 4.992 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(OC)C(C)C 1465942122 BNEPWPWKQSYAAW-JOCHJYFZSA-N 442.943 4.835 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1470667168 PUWISNFSEHQLTK-NFBKMPQASA-N 427.951 4.897 30 10 IJEE C[C@](Cc1cccc(Br)c1)(NS(=O)(=O)CC1(CC#N)CC1)c1ccccc1 1475014266 HHOBBNXCSHEIEJ-HXUWFJFHSA-N 447.398 4.520 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCCc2ccccc21 1478313407 RWXYXFWHSXAEGD-WZONZLPQSA-N 425.935 4.780 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1Nc1ccn(C)n1 1507807037 BXAHSLBCTVTNLR-FOIQADDNSA-N 444.992 4.682 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1ccccn1 1507827019 OKHKYYQEODKWQE-UHFFFAOYSA-N 432.753 4.969 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1507845736 OIVXRCSOOKYPLO-RTBURBONSA-N 430.543 4.756 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@](C)(O)c2ccco2)CC1 1507878538 BJQCDFCJVABPKU-NLFFAJNJSA-N 436.556 4.692 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1507887233 ATXWUXJIXHRZBU-BKMJKUGQSA-N 437.632 4.832 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507899827 VTUITJKEFGIROQ-KBMIEXCESA-N 425.596 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCSC(CC)(CC)C1 1507914779 OOFSGVUNSWITKV-UHFFFAOYSA-N 442.633 4.640 30 10 IJEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1C(F)(F)F 1507928513 GWFXRDUWJRAWRB-UHFFFAOYSA-N 435.494 4.526 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1507939530 QICPGQHYESUUBO-VWLOTQADSA-N 449.574 4.709 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCCCC2)C1 1507959750 SSFPWOHMPFHQKV-UHFFFAOYSA-N 425.533 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1cccnc1OC 1508008954 LVVDQZIJBNVXCX-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CC=CCC2)C1 1508113530 ZACZFCLUAXHDSQ-ROUUACIJSA-N 443.389 4.845 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C 1508161192 BOFLAPZFYXYPRG-UHFFFAOYSA-N 434.034 4.843 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCCC2(C)C)cc1 1511031224 FURQFXRTSDXSBU-WZONZLPQSA-N 427.618 4.558 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 1521814344 DQHZSMAGABVGSX-LJQANCHMSA-N 427.957 4.663 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Br)c(OC(C)C)c2)c1 1521875117 FOSIWVGVUUPERL-QGZVFWFLSA-N 431.330 4.847 30 10 IJEE C=CCN(C(=O)/C=C\c1ccc(OCCN(C)C)cc1)c1nc(-c2ccccc2)cs1 1524296089 OTIXGPPRDFHNAB-QINSGFPZSA-N 433.577 4.983 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)cc1 1525349877 AUTHFTSJKOGNQL-OAQYLSRUSA-N 435.524 4.788 30 10 IJEE C=CCC(C)(C)CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 1526762488 JRXPGQBWIJXUNU-UHFFFAOYSA-N 429.358 4.962 30 10 IJEE Cc1cc(F)cc(-n2nc(C(=O)Nc3ccc(Br)c(C#N)c3)c3c2CCC3)c1 1527529642 AZTHVWPIASPBME-UHFFFAOYSA-N 439.288 4.695 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(-c2cccc(C)c2)n1)c1ccc(Br)cc1 1528080987 LDWYYTPQKNEDHN-LJQANCHMSA-N 425.351 4.914 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 1528351000 DTDYREGZAGNFTN-QFIPXVFZSA-N 431.410 4.520 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C(C)(C)C)cc1 1529501574 WSTXTJMOIQYYMH-UHFFFAOYSA-N 441.959 4.875 30 10 IJEE C=CCc1cc(C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)cc(OC)c1OC 1530085429 WEUSMZSSWOMILI-UHFFFAOYSA-N 434.420 4.616 30 10 IJEE C#Cc1cccc(N(C)C(=O)CCc2cc(Br)c(Br)s2)c1 1530160284 LJUUNSZDGUDJOZ-UHFFFAOYSA-N 427.161 4.850 30 10 IJEE C#CC[C@@]1(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CCCN1C(=O)OC(C)(C)C 1530889865 OBHXEOMLTZBKCE-MHZLTWQESA-N 449.595 4.546 30 10 IJEE CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2=O)cc1 1535625890 FPAHIAJZGSURBZ-IBGZPJMESA-N 441.487 4.741 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1538047043 CLELHBOZTDFROC-AVRDEDQJSA-N 427.342 4.775 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)(C#N)CC1 1539055654 FGIGOZNYQVFXPG-UHFFFAOYSA-N 444.352 4.780 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1539103178 PZZLTVGMMMGLOF-UHFFFAOYSA-N 447.627 4.540 30 10 IJEE C#CCCCn1c(Cc2ccccn2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1539127120 CIRNIDWDTOEKRW-UHFFFAOYSA-N 425.536 4.786 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H]1CCCN(CC(C)C)C1 1539385381 YZSOUUNUQUGKOY-GMAHTHKFSA-N 439.623 4.939 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1539621736 BKRGJIPSGGHJHJ-POAQFYNOSA-N 430.980 4.583 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1539723455 RCTNTQKEVMSEMX-IFMALSPDSA-N 439.604 4.524 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1539946561 CAPHNTJZCPEKRP-RTWAWAEBSA-N 439.604 4.646 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccccc1 1539947076 HSLURIDLCCQEII-PGRDOPGGSA-N 436.522 4.730 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1cccnc1)C(C)C 1540051265 BJJYGORIDHNSKJ-SFHVURJKSA-N 443.393 4.503 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(C)c(Br)ccc3[nH]2)cc1 1540674314 NUNPVQDQVNPBFC-UHFFFAOYSA-N 427.302 4.799 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](SC)C1 1540880863 SDLMUAPFENOJIV-IFMALSPDSA-N 442.629 4.855 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCc2ccccc2)C1 1540887042 OOOVUEKAWULBGP-NRFANRHFSA-N 437.975 4.798 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@H](C)C#N)n1 1541106924 CWUQYQQZVJYEPN-CQSZACIVSA-N 446.527 4.771 30 10 IJEE O=S(=O)(c1cc(F)ccc1N1CC(Cc2ccccc2C(F)(F)F)C1)C(F)(F)F 1559130320 CTQIZFXQYOFFQQ-UHFFFAOYSA-N 441.368 4.817 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 1561117894 QSNHHVYTCDJCKE-KBPBESRZSA-N 429.426 4.993 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)OCc1cnc(CCc2ccccc2)s1 1587378816 FBVBQDPMYRLUCI-UHFFFAOYSA-N 427.323 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(O)(CC)CC 1587562091 LAQYHYYVNFWNFR-ROUUACIJSA-N 432.996 4.697 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@H](SC)C1 1587749418 HCHFNZZGSPBAEV-QFIPXVFZSA-N 434.613 4.656 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCC 1588020233 JOKPTQAVFRXQRR-IBGZPJMESA-N 432.037 4.558 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1C1CC1 1588197956 AHFMPPRRFWXTIH-VWLOTQADSA-N 443.639 4.722 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](CC)N1CCCC1 1588198371 QMFOZVPYBQIQSR-LJQANCHMSA-N 444.410 4.589 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1589427262 FVTWGFXFABLBML-JKSUJKDBSA-N 436.423 4.559 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1593600686 ZUYDWKGIAZBPEK-SJORKVTESA-N 447.986 4.835 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1593914085 AFTRXASFPTUKQY-OAQYLSRUSA-N 430.980 4.622 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@@H](CC)C1 1594473521 VAHSVNDLIHNIDZ-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1nc(C(C)(C)C)cs1 1594559014 AQPALPNVGWALBD-UHFFFAOYSA-N 427.622 4.664 30 10 IJEE C=CCCCn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594766738 BSVIGPKNZHMFHN-AQNXPRMDSA-N 429.609 4.808 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1Cc1cc(C(C)(C)C)no1 1595010178 RUUPHKABBIVCTN-UHFFFAOYSA-N 427.574 4.535 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1nc(C(C)C)cs1 1595251221 PROYZVLWNGMVSD-UHFFFAOYSA-N 434.569 4.796 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@H]1COc2ccccc2O1 1595261213 OXXDTGSDLYLVCL-HXUWFJFHSA-N 436.556 4.535 30 10 IJEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 1595608503 SOBIPCYWEZZELR-UHFFFAOYSA-N 434.384 4.521 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CCC(C)CC2)C1 1595705895 GFQDSXUYVCQSLT-WOJBJXKFSA-N 444.023 4.500 30 10 IJEE C#Cc1ccc(C(=O)Nc2ccccc2Oc2cccc(I)c2)cn1 1597750811 AFIVXFVUWJETOE-UHFFFAOYSA-N 440.240 4.712 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2)s1 1612060338 IBHLSDMYNUBRPP-UHFFFAOYSA-N 434.613 4.699 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)c1 1616752473 VODPTHCBAZVOTE-UHFFFAOYSA-N 448.544 4.732 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1CCCC(C)(C)C 1619899686 FOLFJFZAHZUKQW-JOCHJYFZSA-N 439.604 4.871 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(Cl)cc1 1622802758 QMHWOPFRRXWTFM-KRWDZBQOSA-N 436.924 4.844 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1)C(C)(C)C 1625487843 JYTUXSPTZZWZIB-JOCHJYFZSA-N 440.609 4.807 30 10 IJEE C=CCCO[C@H](C)C(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1625776615 JNXKUIUPEPINLM-SNVBAGLBSA-N 427.204 4.538 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1625801166 PWZULAHQKNFLOX-DHIUTWEWSA-N 431.536 4.755 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC[C@H]2C(C)C)c(F)c1 1631931771 WASFZSJSUXTFIQ-PMACEKPBSA-N 431.552 4.696 30 10 IJEE N#Cc1cc(F)c(N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1Br 1639577547 CVXIUYSDVXCNRL-CQSZACIVSA-N 428.305 4.708 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1Br 1641214375 DCWXTRKNUADIDB-SNVBAGLBSA-N 447.280 4.555 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1641582131 DYMJORYGOZAQJX-GHTZIAJQSA-N 426.557 4.832 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H]1CN(Cc2ccccc2)CCCO1 1641675801 UDDONHHJDUUKJJ-QFIPXVFZSA-N 447.392 4.867 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](CO)c2cccc(Cl)c2Cl)n(C2CCCC2)c1C 1647815919 FBQPMEAZOKFATK-IBGZPJMESA-N 449.382 4.660 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)C2CCOCC2)nc2sc(-c3ccccc3)cc2c1=O 1651730245 MUVMJMLRMIKQSC-OAHLLOKOSA-N 440.590 4.787 30 10 IJEE C=CCN1CC[C@H](Sc2nnc(-c3ccc(C)cc3)n2-c2ccc(OCC)cc2)C1=O 1652513273 GDFUWCYMSQIXRM-NRFANRHFSA-N 434.565 4.520 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 1657388560 XLDCCIXZMIZEGH-UHFFFAOYSA-N 438.877 4.568 30 10 IJEE CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 1660363823 CQSAAHDXFLWDPF-UHFFFAOYSA-N 430.938 4.621 30 10 IJEE Cc1cc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c(C#N)cc1N(C)C 1662439231 GJAIMDIUPWYLMK-UHFFFAOYSA-N 435.355 4.656 30 10 IJEE C=CCN(CCOC)C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1665596117 SSXMETDEJBMYBU-QHCPKHFHSA-N 441.641 4.815 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1668171319 AAWQSUFTFLMCER-MRXNPFEDSA-N 428.432 4.908 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(Br)cc1 1669492498 QGSWSUSBYABZJN-OAHLLOKOSA-N 447.239 4.933 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1ccc(Cl)cc1F 1672616451 OWZGNABFEWGIMQ-GOSISDBHSA-N 425.813 4.853 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CCCC1(C)C 1672770363 PMJYMTVEKLRECW-NRFANRHFSA-N 433.618 4.706 30 10 IJEE C=CCCCCCN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1673996469 KGMMDUBBUVJFLA-XLIONFOSSA-N 425.976 4.629 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F)c1ccc(F)cc1 1676113554 GXPWYHCIUQQNPT-NRFANRHFSA-N 444.432 4.821 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 1676234646 QOFWUILNPIPGEX-DEOSSOPVSA-N 428.532 4.777 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCc2c(Br)cccc21)c1ccc(Br)cc1 1676990546 PAOKNFLQBYOJLF-ZWKOTPCHSA-N 448.158 4.873 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 1681578079 IARCNVRRTULAHZ-PKTZIBPZSA-N 427.976 4.720 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(Cl)cc1 1683897628 SRJUYSMSPIXMGM-HSZRJFAPSA-N 432.907 4.871 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1686025848 QTDFFIZAOVBKSW-FQEVSTJZSA-N 445.485 4.594 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1689939981 IXJHEGDKPLUVQE-OAQYLSRUSA-N 433.046 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690242969 FYFZMPSRMYTGJL-JTJHWIPRSA-N 430.543 4.962 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC(C)(C)C1 1690254532 CJYMMCSOYAUGDE-JSXRDJHFSA-N 430.637 4.804 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC(C)(C)C1 1690254534 CJYMMCSOYAUGDE-XRXFAXGQSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690295925 YKSBATDSMXHHKX-HZPDHXFCSA-N 438.403 4.659 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](CC)C1 1690330399 FWUQRLMGGIRPEA-HXUWFJFHSA-N 425.964 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1690436428 RIFOXJDFCHVCPM-JOCHJYFZSA-N 438.616 4.755 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690451893 SIKNUBKWPFLOSQ-GYPIEGGISA-N 428.552 4.511 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690478083 MVUZWKQNQAJKFU-ROUUACIJSA-N 443.567 4.790 30 10 IJEE CCC[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1695047973 IDZCPGVEYHWQTO-YADHBBJMSA-N 448.036 4.905 30 10 IJEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1695309480 GUVLLJAWPHCYBX-UHFFFAOYSA-N 440.661 4.661 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C)C1CCCCC1 1705478239 YIQMEKXFDMDPBJ-MOPGFXCFSA-N 444.023 4.794 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705510848 ZTRCGTBBRAIAQS-TZIWHRDSSA-N 447.549 4.696 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1705527328 UZZVCMUZJQWWIG-OALUTQOASA-N 445.405 4.761 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cc(C(CC)CC)no1 1705544072 DTSXTJQYKCGKHX-UHFFFAOYSA-N 429.471 4.556 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(COC)CCC1 1705604269 JFQMBGQCBHUJRI-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC1(COC)CCC1 1705669932 BJYNKIWPXRAWEC-LJQANCHMSA-N 449.418 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H](C)CC#N 1705710413 XWYXQBXLZQZNCJ-IPJJNNNSSA-N 425.602 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCn2cc(C)nc21 1705720019 UVSSMOXWGHYFTB-JOCHJYFZSA-N 448.615 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](OCCOC)C1 1705788178 RRYJSTVVGJVFNL-NRFANRHFSA-N 449.599 4.727 30 10 IJEE C=CCCCCCN(C)c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1705798895 FHDAXIHPCZEEGQ-QZTJIDSGSA-N 441.542 4.877 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705800156 PWKXPDJAQYWMNK-AABGKKOBSA-N 427.568 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(O)(Cc3ccc(F)cc3)CC2)nnc1C(C)(C)C 1705802184 DERYIHBOROQBMM-UHFFFAOYSA-N 428.596 4.891 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705815337 SPHGLWDHTCRRKV-LJQANCHMSA-N 428.577 4.712 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCCCC1 1705824960 FPPHELZKPRVLSJ-UHFFFAOYSA-N 425.577 4.509 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC(C)CC1 1705858932 AKTRBUGLIDATDL-JOCHJYFZSA-N 432.616 4.597 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1C2CCC1(C)CC2)C(C)C 1705867551 PUHPFISUHLUCES-NFJKTXFASA-N 427.637 4.740 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)c1cc(C)oc1C 1705870074 BRWYSQNPKWEAKG-QHCPKHFHSA-N 426.948 4.894 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1[C@@H]1C[C@@H]1C 1705882461 XXAIYQWXDRMVEK-BLLLJJGKSA-N 425.758 4.581 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(OC(C)C)c1 1705886811 QLQVZQLURXQBNC-UHFFFAOYSA-N 430.350 4.645 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2cccnc2)C(C)C)C1 1705923534 IIYKBAKNXKLORI-RPBOFIJWSA-N 445.611 4.793 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1sccc1C 1708949080 GAOUMXYHMWSYCJ-XMMPIXPASA-N 435.597 4.968 30 10 IJEE COC1(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H](C)C#N)CCC1 1711615372 GFQQVSXRIHMCAX-SJORKVTESA-N 431.968 4.627 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722312007 RBWATSBTMLYPQO-RDJZCZTQSA-N 449.368 4.654 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1722312627 GZDPQNSBGZGSRV-OAQYLSRUSA-N 439.922 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCc1cc2ccccc2s1 1722399498 UHOSXJVDXFXMJV-UHFFFAOYSA-N 430.602 4.851 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCO[C@@H](C)C1 1722418302 MJIXIXJWFVAXOK-PMACEKPBSA-N 436.531 4.831 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(C)CCCO1 1722474283 BALALMGWJSJGDY-FGZHOGPDSA-N 431.005 4.785 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1722547369 GLBGAMGRFCZISV-HNAYVOBHSA-N 430.961 4.734 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722575194 ZRZVYWMPQXTYAJ-JXHRLWIKSA-N 440.563 4.941 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1722577692 NSVMMDUKLUNOIO-TZIWHRDSSA-N 430.980 4.616 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1nncn1C 1722584786 XLJRYBJIEYJFIA-NHCUHLMSSA-N 433.604 4.892 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722596959 CHVGPNVTGRTIOM-HXUWFJFHSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C 1722600176 LHOQHZMBRZDNRO-HNNXBMFYSA-N 444.004 4.836 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC(N)=O)CC1 1722602286 VROVJNFDDICSOH-UHFFFAOYSA-N 436.387 4.700 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1726419350 BUYHSGCEGZPSEG-AVRWGWEMSA-N 432.572 4.602 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCSC1 1729350980 DIIAGNQUPKPALK-TWMPVWRBSA-N 439.629 4.742 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCOC[C@H]1C 1740632327 HZJCYMNOWUXANN-SJORKVTESA-N 438.984 4.559 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1cccc(C(F)(F)F)n1 1740675898 LDCFVTIWDLFWTD-UHFFFAOYSA-N 445.464 4.817 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC=CCC1 1740679656 GCZATSMPLXLNGY-QHCPKHFHSA-N 443.595 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740845709 YQCYFWJCYOLWHY-NRFANRHFSA-N 437.632 4.868 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 1740853853 BABNDUDAQKQYAL-NZQKXSOJSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740859657 OZVLAZRJTRQDAN-RTBURBONSA-N 446.661 4.857 30 10 IJEE C=CCCCCn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1740866717 LZIKMFWLKVEHMK-HOYKHHGWSA-N 428.552 4.549 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)CN1CCCC1 1740893056 VQSWLBSYGVBDCO-HXUWFJFHSA-N 432.616 4.707 30 10 IJEE C=CCN(c1nnc(C2(c3ccccc3)CCC2)n1CC(F)(F)Br)C1CC1 1740905859 JHDVUSQNQKUOKC-UHFFFAOYSA-N 437.332 4.891 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)[C@H](C)CC)C1CC1 1740907766 YDJPLNMKTCQJLR-OPAMFIHVSA-N 447.421 4.968 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)C1 1747275444 HDFVMKGFDASBBY-IBGZPJMESA-N 429.515 4.505 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC(C)C)nc1 1748639303 FCOHTPDPRVYRJC-TZIWHRDSSA-N 447.583 4.723 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)N1CCCC1 1749069366 XMUYMUMUAHAGDP-NTKDMRAZSA-N 425.646 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1749146753 MCYOOKJXUWQDMG-BKMJKUGQSA-N 438.616 4.983 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC1COC(C)(C)OC1 1749182101 MKBPXINZHCLAQW-UHFFFAOYSA-N 430.618 4.687 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)c1ccccc1 1749384748 GWTINRRNBRIJDO-LZTCXMBHSA-N 438.616 4.609 30 10 IJEE C=CC[C@H](Cn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1C(C)(C)C)c1ccccc1 1749386281 YQEJRMAJCUCUNH-JOCHJYFZSA-N 449.643 4.917 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccsc1 1749541858 VFLYYQPNFLYLTM-DEOSSOPVSA-N 449.555 4.641 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CCc1ccc(F)c(F)c1 1749587429 TWOPANHHSPLUPA-UHFFFAOYSA-N 435.478 4.689 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749591017 LRBRMUXDZAXGOU-NBGIEHNGSA-N 425.621 4.884 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749762009 LSSNFQYDZYPXPL-OAQYLSRUSA-N 428.650 4.585 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760132410 IHLZUWXIGZILEP-OXJNMPFZSA-N 443.389 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1CCOC(C)C 1760297359 PRYITJXFMCSGKO-XMMPIXPASA-N 445.007 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1760298061 UJBQVRVUZFTMEZ-QZTZHPFYSA-N 442.991 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](OC)C1CC1 1760298192 ALXIYNOWJHGFOD-ZEQKJWHPSA-N 436.600 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC[C@@H]1CCO[C@H](C)C1 1760298826 WMPQBOHKHJXAGM-XLGIIRLISA-N 436.600 4.671 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1760300575 HZNQRDHXYRPRPF-FCEWJHQRSA-N 447.377 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)CN1CCCC1 1760330577 IEHBTHBZZCULQD-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2ccnc2C)CC1 1760398792 MUXLZVVZZAMCQV-UHFFFAOYSA-N 428.943 4.735 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCOC2)C1 1760407042 SKYGUXVBKZGOHI-JOCHJYFZSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](OC)C1 1760408691 QYNRVZJBHDDJJR-MRXNPFEDSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760413793 UTEDVKCCLVFPRJ-NRFANRHFSA-N 434.588 4.855 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 1760428069 OJVHTHWWDKOYSW-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)c1ccccn1 1760458167 VVAYHEVXQMHAGF-UHFFFAOYSA-N 426.362 4.703 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1760463188 VQSLOVJOEODPJV-FQEVSTJZSA-N 441.576 4.732 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OC)c1 1760500407 ZSYKXXWCQCZCJZ-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)c1ncc(C)s1 1760502188 QTLKGIPMQNYVIA-OAHLLOKOSA-N 431.993 4.806 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(=O)NCCCC)CC1 1760508176 LWIRRIAKZYZWRK-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)s1 1761772637 AYGOVGUSFYCLMZ-RBUKOAKNSA-N 448.640 4.944 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCC(F)(F)C2)cc1OC 1766269524 FZRQDHMHDYLTMU-DLBZAZTESA-N 447.530 4.916 30 10 IJEE COc1cc(/C=C2/SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)ccc1O 1772757231 BQORNZCUTGTISD-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2OCCC)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760823 AYJQIYFYNUFIGC-JTKXPSIUSA-N 438.505 4.669 30 10 IJEE COc1cc(NC(=O)c2nc(-c3cccc(C#N)c3)n3ccccc23)c(OC)cc1Cl 1858331408 NDCNDWMXMXGUSW-UHFFFAOYSA-N 432.867 4.796 30 10 IJEE COc1ccc(-c2nc3ccc(C(=O)Nc4oc(C)c(C(C)=O)c4C#N)cc3o2)cc1OC 1859749023 ZHFIYPVJJHTDAT-UHFFFAOYSA-N 445.431 4.740 30 10 IJEE Cc1nc(-c2ccccc2)cc(N2CCC(C(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 1859749154 HUJZTDACCCXDBD-UHFFFAOYSA-N 443.576 4.729 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2nc(CC)[nH]c2c1 1860964332 MFLLMZFBVTTZOV-JOCHJYFZSA-N 426.605 4.987 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861185625 ZDLIEWXDYCPENM-GGAORHGYSA-N 447.639 4.799 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(OCC)c(OC)c1 1861585053 JZCAAEDAOIQFMZ-DGWAXEAPSA-N 430.589 4.575 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1862432847 OCSDIGLEZCDUHT-LJQANCHMSA-N 434.319 4.997 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Br)cc2)c1 1862496787 SWQGDGDTZORMOC-LJQANCHMSA-N 426.310 4.807 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2Cl)ccc1F 1862502569 DGCPCDYMTHCLDD-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862545972 MSUHXQRUZXROJN-OSPHWJPCSA-N 433.548 4.648 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1C(=O)O 1862617711 ZUAFKYRKSNGTAC-OAQYLSRUSA-N 435.520 4.917 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F 1862672955 IHCHZKJLRBHVIR-OAQYLSRUSA-N 429.463 4.750 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2cccc(F)c2)c1 1862702356 BVVYHWPOLAZQCJ-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCO)cc1 1862722189 XBTXWGLUTLTQGW-XMMPIXPASA-N 445.515 4.589 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862746881 KKNSGLFMXVMLEI-FQEVSTJZSA-N 434.473 4.743 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2cc3c(cc2[C@@H]1c1ccccc1)OCO3 1868118394 ATIGZOABCLRNMY-MHZLTWQESA-N 443.499 4.533 30 10 IJEE C#CCOc1cn(CCCOCCCC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871005794 YZWCYSSZUAOSBE-UHFFFAOYSA-N 436.474 4.698 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCN(CC)CC)C3)C1=O 1871355516 CMMKTKQUBFCJOI-HAHDFKILSA-N 436.552 4.504 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(N4CCCCC4)CC3)C2=O)cc1 1871398794 QASAUJZNQWJWPT-UQQQWYQISA-N 432.564 4.767 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871407973 OLYPCOWVTISSJJ-YOBACFSGSA-N 444.443 4.925 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1ccc(Br)cc1 1871457789 YSLDDGMGOSNXJU-ODLFYWEKSA-N 440.249 4.676 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C)S(=O)(=O)CCCC 1871782544 GEHDUSSDQAPMSD-GOSISDBHSA-N 435.417 4.965 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871845782 KLKASZTXHBBQOX-HSZRJFAPSA-N 442.581 4.812 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871987122 AMSIZBQSCRMQLK-JOCHJYFZSA-N 446.638 4.549 30 10 IJEE Cc1cc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)ccc1F 1872772214 LQTMRYMMBSBHLX-GOSISDBHSA-N 447.491 4.752 30 10 IJEE CCCCN(CCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2OC)c(C)s1 1872799267 GBMXHEKPJCRGSA-IBGZPJMESA-N 429.586 4.824 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2[nH]1 1872805349 MFWDSERQBBSUGH-UHFFFAOYSA-N 429.476 4.968 30 10 IJEE C=CCNC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CCCC2 1873442068 FGYNDMCOKYPRSS-UHFFFAOYSA-N 432.973 4.994 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc2ccccc12 1874277377 QZVNZIMKNPEKFM-QVWJKXSPSA-N 435.597 4.930 30 10 IJEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874400375 PEICOOVYDAZJHD-WTJYETQFSA-N 438.553 4.616 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874515707 LQKVTCWFZKIDFQ-ODCIPOBUSA-N 429.373 4.882 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NC2CCCCC2)cc1F 1874582375 LCIJWLHDEYJUDF-ACCUITESSA-N 441.499 4.567 30 10 IJEE CCCNC(=O)COc1c(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)cc1OC 1874591309 DSYWGEGPQGMNFO-BQYQJAHWSA-N 445.943 4.775 30 10 IJEE CCOc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc2OC)c1 1874707558 KWTVLHGYSFUTAQ-JXMROGBWSA-N 446.455 4.938 30 10 IJEE C=CCn1c(C(=O)N(CC)CCc2ccncc2)cc2c(NCCCCCC)ncnc21 1875231316 IYIKSEDXJDJPAD-UHFFFAOYSA-N 434.588 4.709 30 10 IJEE C=CCn1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc2c(=O)n3ccccc3nc21 1875238941 LONJIAWVDMWFBC-UHFFFAOYSA-N 448.526 4.678 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1cc(Br)cc(Br)c1 1922086213 ONIKALMPEKVWNM-GOSISDBHSA-N 440.131 4.587 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CSCCN(C(=O)OC(C)(C)C)C1 1922111698 IVHVVDKSQDSIQL-FGZHOGPDSA-N 434.646 4.728 30 10 IJEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 1945793756 DKXYSYCATVHVGK-FUHWJXTLSA-N 433.549 4.880 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 2032403296 OCYYXDIFWYSQCZ-HXUWFJFHSA-N 445.560 4.976 30 10 IJEE CN[C@H](CC#C[Si](C)(C)C)c1cc(I)ccc1Br 2067290936 ZGACYZHBDHBEPK-CQSZACIVSA-N 436.207 4.585 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]1C1CCC1 2073795242 QHIFIYHUHXFUGZ-VGSWGCGISA-N 448.568 4.996 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(O)c1 2079007666 XCQRMVDYROPIIO-GOSISDBHSA-N 433.293 4.640 30 10 IJEE CCc1nn([C@H](c2ccc(SC)cc2)C(C)C)c(I)c1C#N 2080101445 GIVODZBCRGOZIY-INIZCTEOSA-N 425.339 4.889 30 10 IJEE COC[C@@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CCCCO1 2146067215 WWYQWJTXMZCNLA-FXAWDEMLSA-N 439.350 4.668 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N[C@H](C#N)C1CCCCC1 2181046302 KAGNELYSSJYQOE-QGZVFWFLSA-N 436.350 4.998 30 10 IJEE Cc1cc(Br)c(C(=O)N[C@@H]2CCCC[C@H]2C#N)cc1NC(=O)OC(C)(C)C 2181046387 KRKQYIYLKXLAJC-XJKSGUPXSA-N 436.350 4.917 30 10 IJEE C=CCC[C@@](C)(CN)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2194736757 PMNLWQVWUYGCLR-NRFANRHFSA-N 440.426 4.854 30 10 IJEE CCCCCCCCN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2196700129 GAWMQGJCAGRZIK-UHFFFAOYSA-N 425.220 4.940 30 10 IJEE C#C[C@]1(Oc2ncc(Br)cc2C(F)(F)F)CCCN(C(=O)OC(C)(C)C)C1 2198814554 FAKRDVNATJHYAR-KRWDZBQOSA-N 449.267 4.645 30 10 IJEE O=C(NC[C@@H](Nc1ncccc1[C@H](F)C(F)(F)F)C(F)(F)F)OCc1ccccc1 2199320855 RLFRXNARRIUNRI-KGLIPLIRSA-N 439.331 4.924 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1cccc(Cl)c1 2212504595 XDCCKYLSDWMDMS-VGSWGCGISA-N 427.928 4.759 30 10 IJEE C[C@@H](Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1ccc(NC(=O)OC(C)(C)C)cc1 2232253244 YXUIIYGAQXXWCJ-MRXNPFEDSA-N 439.365 4.901 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)C#Cc1ccccc1Br)c1ccccc1 2235719029 ADCCHUKCVDACPJ-GOSISDBHSA-N 428.326 4.678 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)c1ccccc1 2235723442 UDHCWYJKTKAVDA-GOSISDBHSA-N 429.358 4.830 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 2235729459 TWQXVUBCLDVSEE-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CN[C@H](CC#CC(C)(C)C)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237411985 IZVPZHGDZGUPTD-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc1 2265985108 CLBQUKQXWRIBTO-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@H](N)C#Cc1ccc(Br)cc1 2278817806 KAFSPHGOIIZKSU-SJORKVTESA-N 441.435 4.553 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2296218346 CZXKAWCFPPJALU-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@H](N)C#Cc2cccc(Br)c2)CC1 2296225585 WSXQGDNWDRWNFY-NCYVPVAZSA-N 439.369 4.551 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@@H]3c3ccccc3)sc2c1 2296923471 JPFKERHAONOHLX-FQEVSTJZSA-N 446.484 4.914 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CC(C)C)ccc1OCc1cccc(Cl)c1 2321899045 UZOFDFSTMOWHJO-UHFFFAOYSA-N 430.961 4.889 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2COc2ccc(C)cc2C(C)(C)C)ccc1O 2322260366 DPSQAZGUEYDROB-UHFFFAOYSA-N 440.569 4.738 30 10 IJEE C=CCN1COc2c(cc3c(c2C)OC(=Cc2cc(Br)ccc2OC)C3=O)C1 2322391247 ZSWBKZMMONUSDA-UHFFFAOYSA-N 442.309 4.720 30 10 IJEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)o1 2323060139 SXRBBLVLQVJBNP-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3C2=O)o1 2323231679 CBWYMUXIJLHKPC-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1 2323381502 NXFUASCRNISKIY-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2323466260 JPPCGEIXCUTBHE-RLWLMLJZSA-N 442.600 4.993 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)c(OC)c1 2323767753 POMGGEVAJAMUKE-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2324290237 UKJDPPPVRWBXSV-UHFFFAOYSA-N 431.282 4.787 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2325074186 PREGDJPYXLBEKX-AWEZNQCLSA-N 448.874 4.751 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1 2325649714 OQOFOXGMUDOKFA-UHFFFAOYSA-N 446.459 4.712 30 10 IJEE COc1ccc(OCc2nnc(SC)n2N=Cc2ccccc2F)c(C(C)(C)C)c1 2325815980 UBZOAMTWWFOXOT-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE COC(=O)c1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccco2)c1 2326769135 JNWVXDXAHCNLKU-UHFFFAOYSA-N 446.532 4.617 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2cc(Cl)c(O)c(OC)c2)cc1 2327320431 JHRRLTVMVADTQV-UHFFFAOYSA-N 446.960 4.781 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cc(OC)ccc1OC 2327675819 JQIXEFWQJSXRTB-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(OC)c(OC)c1 2328568841 GFOUMWRAGJKJBT-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccco2)cc1 2328577555 SOENRYHVIFMMLE-UHFFFAOYSA-N 436.512 4.979 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(=O)OC)cc1 2328959832 RJXWIQKYRAUJPS-UHFFFAOYSA-N 434.565 4.627 30 10 IJEE O=C(O)c1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 2329837383 QRNZGPIQPCZIIV-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccccc1 2331019334 NNPBRELNYCXROK-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccnc2)c1 2331042720 ZRPGMHZSDMAABD-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccccc1C 2331115463 YLOBEUZRRJGSFX-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)(C)C)cc1 2331378699 RNQWZPLWZKXYAC-UHFFFAOYSA-N 437.569 4.506 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)c1OC 2331385307 RYTBVZZHJDFIHL-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(F)cc1F 2331696149 ZDXSOBIGWXWURT-UHFFFAOYSA-N 443.523 4.910 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OC(=O)COC 2331752154 ICPOJTHOFRRCCH-UHFFFAOYSA-N 444.911 4.842 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339543658 UQOOCFOEYZPWNF-RBUKOAKNSA-N 443.397 4.832 30 10 IJEE C[C@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1ccc(Br)cc1 2364849477 RVLRJTXDXJKPGG-LBPRGKRZSA-N 437.574 4.970 30 10 IJEE CCCCC#CC[C@@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366669717 IXUCHQAZVDDXQT-TZMCWYRMSA-N 425.763 4.601 30 10 IJEE CC1(C)C[C@](Nc2ccc(C#N)cc2Br)(C(=O)O)[C@H]1OCc1ccccc1 2378747843 IQLVUMFIAHNJIF-GHTZIAJQSA-N 429.314 4.571 30 10 IJEE Cc1ccc(C)c(NC(=S)/N=C(\NCCc2ccccc2)Nc2nc(C)cc(C)n2)c1 14156940 IXWGKMSSLYLDHT-UHFFFAOYSA-N 432.597 4.707 30 10 IJEE CN(c1ccccc1)c1ccc(/C=N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 16188811 WKZKQRCMYUQJEK-ZVHZXABRSA-N 433.309 4.992 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2Cc2ccco2)cc1 33422085 UFRDTNIYMRTUPO-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)Oc1ccccc1 59832670 QGAWXUNFBWQCJJ-BUVRLJJBSA-N 445.504 4.741 30 10 IJEE CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(C)/C=C/c1c(Cl)cccc1Cl 140130228 RBWGTZRSEOIHFD-UHUFKFKFSA-N 434.323 4.696 30 10 IJEE in-vitro O=S(=O)(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)c(Cl)c1 169902820 XXFOWUPTBZSATH-YDZHTSKRSA-N 435.332 4.885 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921663 UEODZGHQLSAKFB-NRFANRHFSA-N 448.406 4.525 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccnc2)cc1Cl 170009053 KEIGVEUGVAYRKH-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2)c1 170036467 NRSLUSZOIWKCCQ-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2F)c1 170069198 XEXXZCPMHDPXEB-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)c1 170085780 OTILVHCWNATPQI-QHCPKHFHSA-N 430.504 4.708 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2sccc2C)cc1 170105914 JRLRCHUIRVAQKE-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OC(C)C)cc1 170152521 HQQPFZTZASUIFN-WAIKUNEKSA-N 435.520 4.786 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccs2)c1 170156454 XRUVFMAXYBWRSZ-NRFANRHFSA-N 433.485 4.611 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)cc1 170184172 TXJFBHIJEBJYJM-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3cccnc3)ccc2O1 170189063 XIXGMTFJINXXBR-FPTDNZKUSA-N 446.890 4.841 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 170242801 HMJVHXRUGRAFIU-QHCPKHFHSA-N 432.495 4.509 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c[nH]c2ccccc12 170253987 FTDGYHATZGHYMN-HSZRJFAPSA-N 426.472 4.546 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(O)c2)cc1C 170259021 YSFBHSTWUVFMQP-QHCPKHFHSA-N 445.471 4.506 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170265231 BWNJSJSCXSNCSP-HSZRJFAPSA-N 437.536 4.569 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC)c1 170323749 ZXXMZFLDCCRILS-NRFANRHFSA-N 427.472 4.611 30 10 IJEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170424920 DYIIQNNVKWEKHJ-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)/C=C/c3cccc(Cl)c3)nc12 170536964 AAKHNUPQJDQWGM-MDZDMXLPSA-N 443.894 4.915 30 10 IJEE CC[C@@H]1NC(=Nc2ccc(I)c(Br)c2)S[C@@H]1C 387341622 FFDMFDROOUUQQL-HQJQHLMTSA-N 425.133 4.545 30 10 IJEE C=CCN(C(=O)CN[C@H]1CCOC[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 433174323 MZHDRYCFRHHKJF-DYVFJYSZSA-N 440.396 4.651 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 504094360 NFTPZWSSKPQOPO-QHCPKHFHSA-N 447.963 4.603 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 508846275 QWGQVGHKOLSERL-UHFFFAOYSA-N 438.535 4.542 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1Cl 517597951 DMOOUXSXKODMIN-FYYLOGMGSA-N 444.922 4.922 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cc(F)ccc2F)=C(SCc2ccco2)C1=O 526670454 MEHPGUWXGANUGD-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE COc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2ccccc2)c(OC)c1 549154346 CTWJJKHBWKGHKK-UHFFFAOYSA-N 439.519 4.519 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)N(CC)CC)CC1 567525838 GLTNIHMIYBWVGT-UHFFFAOYSA-N 431.584 4.759 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC1 571337460 PRXHWCDXNNGEPE-GOSISDBHSA-N 448.596 4.544 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(N3CCCCC3)cc2)cc1 586257283 YREZVIZPJDLIAA-UHFFFAOYSA-N 441.597 4.963 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1cccc(C#N)c1 610806765 RDFHFHAJSYMYEA-INIZCTEOSA-N 435.553 4.884 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@@]4(CCc5ccccc54)C3)n2Cc2ccccc2)cc1 619818752 YLAIPFDETVWTNY-NDEPHWFRSA-N 447.542 4.543 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)[C@H]2CCCN[C@H]2C1(C)C 693777250 XJTNCIMJSAQQKD-CSODHUTKSA-N 434.378 4.861 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)COc2cc(O)ccc21 698445532 OWLFXACGYWFFLM-HXUWFJFHSA-N 431.286 4.708 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(-c3cccc(Cl)c3)no2)ccc1OC 733230285 NXWIVKCKTJVEHB-KRWDZBQOSA-N 425.872 4.615 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F 755097888 NQFOTYJIOWGAKT-UHFFFAOYSA-N 440.399 4.687 30 10 IJEE COc1ccc(-c2ncc(C(=O)OCc3cc(Cl)ccc3OCC#N)s2)cc1OC 769414690 OTPFDULQVKHQCA-UHFFFAOYSA-N 444.896 4.740 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(SC(F)F)cc1 790281033 ZHAUVPAGUCHQMR-INIZCTEOSA-N 439.553 4.568 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c1=S 802748843 ZIHREUCEUXRSJK-SFTDATJTSA-N 434.613 4.677 30 10 IJEE CCCC(C)=NNc1nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 1084560063 DLUBXOSMFVUJRD-UHFFFAOYSA-N 434.875 4.796 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 1125784666 ONMXVEZUADKQID-OAQYLSRUSA-N 438.959 4.732 30 10 IJEE C#CC[C@@]1(C(=O)O[C@@H](C)c2nc3ccc(Cl)cc3n2C)CCCN1C(=O)OC(C)(C)C 1126703742 BABLAQVQVBABLG-WNSKOXEYSA-N 445.947 4.624 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nnn(-c3cccc(Cl)c3)c2CC)cc1 1128194113 WJJNYARIEODZDH-UHFFFAOYSA-N 438.915 4.745 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1C#N 1129202575 FTTQUTVDZTXYMU-UHFFFAOYSA-N 430.295 4.875 30 10 IJEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CCCC1 1130910076 TUFHHXVXFYTBMN-UHFFFAOYSA-N 427.010 4.627 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCCN1C(=O)OC(C)(C)C 1136247575 BOQFMWXEGITXMF-VWLOTQADSA-N 445.604 4.692 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 1159779169 QOPCRIZVTKISPE-YADHBBJMSA-N 438.955 4.728 30 10 IJEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 1162146786 FISUQNSDRLLPQT-XMSQKQJNSA-N 434.536 4.577 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(-c3cc(Cl)ccc3OC)[nH]n2)cc1OC 1163263540 KHRMULFVWJDDCQ-POHAHGRESA-N 439.899 4.964 30 10 IJEE C=CCn1c(SC/C=C(/C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O 1164419707 XBVQUXJMFRBAEF-GDNBJRDFSA-N 426.563 4.831 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1-c1ccc(OCC)cc1 1188899025 CCDSXKCWCWOAIR-QGZVFWFLSA-N 440.569 4.831 30 10 IJEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Oc2ccc(SC)cc2)cc1 1188986793 IVCRCGFNGNJTNU-UHFFFAOYSA-N 429.485 4.777 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 1215106635 KZLFJMOOZXYYNK-UHFFFAOYSA-N 425.916 4.726 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 1219087092 ZGIQGQFVJIBCKL-LJQANCHMSA-N 447.329 4.993 30 10 IJEE C=CCOCCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1231088986 PEBNSKSCNIMVLR-UHFFFAOYSA-N 438.959 4.927 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1)c1ccc(F)c(F)c1 1234566773 QDKJIYMPFDNMIR-CRAIPNDOSA-N 449.523 4.723 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(C#Cc2ccccc2)cc1 1264280986 NXOHJPQMZDSEAO-UHFFFAOYSA-N 426.468 4.829 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(F)c1 1264894904 BPPYDGOAULFGHL-DEOSSOPVSA-N 433.914 4.831 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1OC 1270458244 XVGFFRHRHWLKOY-VKJZPDJHSA-N 428.326 4.708 30 10 IJEE N#CCOc1ccc(CC(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 1275145692 GLTHJJULUWSJRY-HHHXNRCGSA-N 445.607 4.815 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)C1 1277137725 ODPQDTPFPXUJKF-NRFANRHFSA-N 438.593 4.558 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286318774 WEDFWLCOORUKCU-WFXMLNOXSA-N 430.980 4.736 30 10 IJEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CCC(F)(F)F)CC1CC1 1286325313 XGRVGRSYJXDUNU-HXUWFJFHSA-N 448.489 4.763 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)C(F)(F)F 1286569389 OECAANIAPGLBNK-UHFFFAOYSA-N 426.483 4.953 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCSC(C)C 1286583546 YNKRCPYZTMJTFN-HDICACEKSA-N 437.654 4.593 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1286584771 TXNQZUNMZQBZRN-MAUKXSAKSA-N 426.362 4.994 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(F)(F)F 1286599982 GGTLKLNFSDICOO-KRWDZBQOSA-N 426.483 4.626 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C)C1 1286604244 HHWFWRFHNLGHIV-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1286623584 URTNELDIFQQVKT-KBXCAEBGSA-N 445.932 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](COC)C1 1286668976 YDYVQJBDIGMMPW-MJGOQNOKSA-N 444.645 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1286669658 NJXBXRFKFFWZPK-HSZRJFAPSA-N 431.584 4.780 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1286674408 PKQUWGKHASGTKW-NRFANRHFSA-N 426.605 4.535 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCOCC2(CCC2)C1 1286705938 KHSQYASIBZSUEL-UHFFFAOYSA-N 428.602 4.552 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CC=CCC1 1286714258 MXZWYRCEFVRORA-LJQANCHMSA-N 429.996 4.572 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[S@@](=O)C(C)(C)C 1286716867 NAHJNLAXFOEGSN-WJOKGBTCSA-N 439.629 4.522 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCN1CCc2sccc2C1 1286748585 ZXYCHCDWOGJUTI-UHFFFAOYSA-N 441.670 4.950 30 10 IJEE C=CCOc1ccc(Cn2c(N(CCOC)[C@@H]3CC[C@H](C)C3)nnc2C(C)(C)C)cc1 1286796368 JYQXATRETVRRRP-PZJWPPBQSA-N 426.605 4.830 30 10 IJEE Cc1nc(C[C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(C)(C)C)C2)no1 1290446409 BFTZCFZRMMPMKV-FQEVSTJZSA-N 447.587 4.794 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C2(CCC2)C1 1300424940 PLBNZIBPKFFEQR-UXHICEINSA-N 441.620 4.780 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1300449596 UORSQHDIKFKBNU-QHCPKHFHSA-N 437.632 4.560 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)SC 1300512794 NFYYWLVLKYIKKT-UHFFFAOYSA-N 435.622 4.591 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1300650829 XZTXHNVASIMJIZ-ZJSXRUAMSA-N 438.591 4.851 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)c2cccs2)CC1 1301127461 NEJHOIVFQDKDNO-QHCPKHFHSA-N 444.551 4.519 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C)C1 1301139553 RJAQVRCUURSTSY-RTBURBONSA-N 428.577 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301155156 INQDPMXTLXQMCW-FYYLOGMGSA-N 438.616 4.680 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(=O)C1CCC1)C1CC1 1301316825 JLMXPEXZYWGQLZ-UHFFFAOYSA-N 435.616 4.704 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)CN1CCCCC1 1301346921 LKZAKMLNGKFDRD-JOCHJYFZSA-N 430.600 4.655 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@](C)(O)CC 1301376250 YSZSRHMPPGZARJ-IBGZPJMESA-N 439.785 4.700 30 10 IJEE C=C(CC)C(=O)N[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1301570419 GJAROJHJNLPLIH-DQEYMECFSA-N 448.588 4.838 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCCCC2)nc1 1305578275 BSMAPXYRTFRDNT-FQEVSTJZSA-N 443.599 4.733 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)c2cc(C#N)cc(N(C)C)c2)sc2c1CC[C@@H](C)C2 1356630493 HYZRCMOVJOWQMH-CQSZACIVSA-N 425.554 4.628 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1358904407 DISCSOHSKLMJIZ-NYVOZVTQSA-N 426.536 4.509 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1358904824 MSHIGFUFMUESRV-BRWVUGGUSA-N 438.469 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1359186571 KWIBGQGUTRIXJE-HSZRJFAPSA-N 448.615 4.984 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1scnc1C 1359197732 YIAZVWHONRWGDU-UHFFFAOYSA-N 438.601 4.905 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1359222569 LUMPZMJWQZVTPT-SANMLTNESA-N 449.599 4.790 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)c1cccs1)C1CC1 1359246595 GKQSYHUFXYWRKK-WAIKUNEKSA-N 442.560 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCNC(=O)c1ccc(C)cc1 1359263518 DHOHSCMMGUMAOA-UHFFFAOYSA-N 435.597 4.538 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1359272981 KHCSQGCOSNPEQV-ISKFKSNPSA-N 426.992 4.906 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H](OC)c2ccc(Cl)cc2)C1 1359324464 LLWBFVYSMNEGDO-VXKWHMMOSA-N 445.007 4.833 30 10 IJEE CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)cc1 1437345661 HGPNPGGUWKAGIU-LJQANCHMSA-N 443.503 4.982 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1 1441344765 WZTVPYDUCNQBJW-GOTSBHOMSA-N 436.552 4.598 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 1444255168 IZOWTYUBEWZUQV-LJQANCHMSA-N 426.517 4.765 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 1458340754 NQBYLIFRMDMBSU-INIZCTEOSA-N 435.351 4.504 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2ccc(F)cc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1458503463 IWTGYIPNGZOXRO-JLCFBVMHSA-N 442.478 4.950 30 10 IJEE C=CCSCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 1458830744 GOSLDHBZIMXKRH-ZJSXRUAMSA-N 438.593 4.523 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1C)c1ccc(C(F)(F)F)cc1 1463376744 IESKYPVNFGGYGH-SFHVURJKSA-N 441.471 4.786 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)[C@H](C(=O)OC)c2cccc(Cl)c2Cl)cc1 1464147510 MAUQSISHSQMWPW-IBGZPJMESA-N 442.364 4.647 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNC(=O)c1ccoc1C)c1ccc(C)c(C)c1 1465006510 OVUWUPIVIOKVCH-UHFFFAOYSA-N 432.520 4.733 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)ccc1Br)c1ccc(F)cc1 1465033240 DUMRBJIJCYSNAI-AWEZNQCLSA-N 426.083 4.847 30 10 IJEE COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1465431422 HXERSBZJVRNSLE-MWTRTKDXSA-N 432.480 4.652 30 10 IJEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 1465626611 ASNDWDMGYOHVCH-BBWFWOEESA-N 432.590 4.990 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 1468849105 WMKKCWRGPTZWFK-GOSISDBHSA-N 425.960 4.588 30 10 IJEE C=CCn1c(SC[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nnc1-c1ccncc1 1472934496 VIMKGFPNTKHVGV-FUHWJXTLSA-N 432.471 4.800 30 10 IJEE Cc1ccc(CN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H]2CCc3ccccc32)cc1 1473267040 HZEMVEGXMNPWRC-LSYYVWMOSA-N 426.560 4.991 30 10 IJEE CS[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1505178480 FWHUHHHBLFFRAE-UTKZUKDTSA-N 436.000 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCN1CCCC 1507517976 SCCARFPNLXTMDT-ONTIZHBOSA-N 441.595 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC=CCC1 1507524863 WTHPPTYGUFMHQB-HOTGVXAUSA-N 429.362 4.530 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSC(C)(C)C1 1507595162 MWBUOYXKKUNBME-UHFFFAOYSA-N 426.630 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C(C)C 1507795686 JMHCEBUQKGMDGI-HKUYNNGSSA-N 433.394 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1507803814 IYQHDMIKKBVEKJ-MRUHUIDDSA-N 445.405 4.708 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CCCN2CCOCC2)CC1 1507822799 JCQZHYVJGZNZSD-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1507900337 KWVCKYKTPNQAMF-FQEVSTJZSA-N 437.632 4.867 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC(C)(C)[C@H]1C 1507944450 RLOQUDKAAMLJOF-CQSZACIVSA-N 437.357 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1508007029 PYMDXJJAYZOCMR-UHFFFAOYSA-N 449.624 4.940 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1Cc1ccc(F)cn1 1508008790 UBVLODLDWXAQBE-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC2CCCCC2)CC1 1508159678 WUMYBRDTNJSVOU-UHFFFAOYSA-N 425.646 4.567 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)cc1OC 1516002495 USASSNVZFQIDHF-BOQJPMNSSA-N 437.927 4.529 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)(C)C 1519835674 AFDSOAPFTNBCNR-GPMSIDNRSA-N 429.659 4.925 30 10 IJEE Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 1521065615 HHIYOFPVFQZTHJ-UHFFFAOYSA-N 425.517 4.983 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3ccc(C#N)c(Br)c3)cc2C1 1521093170 HRKYJCUMRNTOFW-UHFFFAOYSA-N 442.313 4.824 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 1522921804 CDOVXRPWGRPYII-UHFFFAOYSA-N 436.411 4.903 30 10 IJEE C=CCN(C(=O)c1cc2c(Cl)cccc2nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1522958366 DTBJZPOVNMZKIK-HSZRJFAPSA-N 436.939 4.999 30 10 IJEE COc1cc([C@H](C)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)ccc1OCc1ccncc1 1525877155 FHRCELRZKKRMAB-OALUTQOASA-N 429.520 4.597 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 1529563036 HHDSYVVMKPQMGY-DEOSSOPVSA-N 434.561 4.806 30 10 IJEE C=CC[C@H](OC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 1530229000 ISBIKVJLEHLHGO-PGRDOPGGSA-N 447.318 4.621 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@H]2C2CCCCC2)nnc1-c1ccc(Cl)cc1 1531453552 KPRDBYBMRLURPB-OALUTQOASA-N 431.005 4.962 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1531923104 KVRPNTAOIJLDKS-JKLQHZFJSA-N 430.589 4.736 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1ccccc1 1536595125 VMQVMYHGGROYIO-SGIRGMQISA-N 438.568 4.930 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@@H](SC)C1 1539078263 WCMXRYCOZYZARW-JOCHJYFZSA-N 426.630 4.597 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1ccccc1 1539633845 ACSNGVYXIYTZDP-SSEXGKCCSA-N 442.562 4.989 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539693529 NWGCGKYCDGUONG-NRFANRHFSA-N 428.577 4.568 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1539811079 ANWHHZHAZUKCEE-HBIPHATFSA-N 435.018 4.618 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(C)noc1C 1539945572 QRPVFJPCGFCSOJ-UHFFFAOYSA-N 447.381 4.871 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](C(C)C)C1 1539952269 AHYGJHAIPRQUDG-KRWDZBQOSA-N 438.439 4.970 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1539963318 QSPWVHJLNYMGKE-JTHBVZDNSA-N 439.652 4.545 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CCOCC1 1540013734 DHRHBTBNVKSSFS-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1540088873 QYYRNBGHHDZXKX-YLJYHZDGSA-N 430.568 4.848 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C 1540151660 KLEAGZGWVRWZGZ-NHTMILBNSA-N 434.632 4.726 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCSC1 1540184969 JATHGXSOSLFAIO-HXUWFJFHSA-N 433.581 4.788 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CC#N)(N(C)C)C1 1543883780 BWUSWFZAJMBHBD-XMERXJNXSA-N 447.631 4.599 30 10 IJEE C#C[C@@H](NCc1cccc(I)c1)c1ccc(Br)cc1 1560855052 OVIKPQKLXNKSJP-MRXNPFEDSA-N 426.095 4.518 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)c1ccccc1 1586027788 PXSVBQSFXRGAIY-HHHXNRCGSA-N 444.354 4.797 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1(C)CCCS1 1588088794 AUGKYPCJDWZGEC-XMMPIXPASA-N 447.633 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CCCC1 1588198425 SLQYRCBMIUPSLU-UHFFFAOYSA-N 428.536 4.770 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1588452667 VDSCLAIVJHRNAZ-IRXDYDNUSA-N 436.478 4.619 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1CC 1589506211 SUPVNOBOQVAJDG-MDKPJZGXSA-N 430.980 4.967 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1589543734 BEFORBIBZHUKPB-NFBKMPQASA-N 439.991 4.634 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1cccc(O)c1 1589715727 RWTKUICBVLPDAH-CQSZACIVSA-N 430.350 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C(N)=O)C1 1594455563 RTBAKTSBVRAGGH-AWEZNQCLSA-N 444.004 4.727 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1594600147 JVSFAMFENRTRKA-IBGZPJMESA-N 444.023 4.943 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(F)c2F)CC1 1594646036 SDYRQBUHPWWJBB-UHFFFAOYSA-N 443.567 4.892 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(C)C)C1CC1 1595058252 GAUSKDJIDWRMPT-FQEVSTJZSA-N 425.964 4.573 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(c2ccccc2)CCN(C)CC1 1595587692 ARNAUFLJIKKQHC-UHFFFAOYSA-N 432.486 4.664 30 10 IJEE C#CC1(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CCCC1 1596344462 PCPOQQIRBBMFAB-UHFFFAOYSA-N 448.950 4.905 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 1597191557 VCIWAYBMQQDGOC-VXKWHMMOSA-N 427.386 4.890 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cc(Br)cs2)cc1 1619161210 HXUGHTWNWVJTOA-ZDUSSCGKSA-N 446.374 4.564 30 10 IJEE C=CCC[C@@H]1CCCN1CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1620642037 DHSODEMJQLEUMR-RUZDIDTESA-N 428.580 4.645 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 1620838580 WNNLQTYPNCDZON-UHFFFAOYSA-N 437.854 4.740 30 10 IJEE C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccc(C#N)c(Br)c3)cc2)C1 1624633645 BCOBOXPZKUAOLK-INIZCTEOSA-N 441.373 4.874 30 10 IJEE C#C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1O)c1ccc(Br)cc1 1625078220 SHEKRIHMIKCDRI-NRFANRHFSA-N 436.305 4.838 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3COCCN3C3CCCC3)cc2Cl)cc1 1630759654 BIBQXDWHAIWIIC-NRFANRHFSA-N 425.916 4.586 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 1630930073 FIHNTQNQHRHMKV-HXUWFJFHSA-N 433.508 4.855 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@]12C[C@@H]3C[C@](Br)(C[C@](C)(C3)C1)C2)C(C)C 1632734172 BPVKYQFYWOHUKC-WMAOBNEYSA-N 437.466 4.925 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cc1 1635278209 ZKSJYZJKZKPCPN-UHFFFAOYSA-N 448.441 4.994 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 1635450942 TTWUMVPTXQHLOG-SDHSZQHLSA-N 425.617 4.586 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)cc1 1636557192 MVJUIMXGWPXDJW-GOSISDBHSA-N 437.849 4.681 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCC[C@@H](c4ccccc4)CC3)ccc2c1=O 1639589727 SXBNZVRHSJKWJI-UYAOXDASSA-N 433.577 4.718 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 1641088060 TWTIWNVGPVXNQE-UHFFFAOYSA-N 429.545 4.912 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1c(Cl)cccc1Cl 1643572550 BNLJDQNLYWFQIR-UHFFFAOYSA-N 439.412 4.774 30 10 IJEE C#CCOc1cc(F)ccc1NCc1cc(Br)cc(Br)c1OC 1647034941 RRDYWPFATWXCHR-UHFFFAOYSA-N 443.110 4.983 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(CC)cc2)nc2sc(C)c(C)c2c1=O 1651629430 OMNYFLMRYGFCJW-OAHLLOKOSA-N 427.595 4.943 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC 1651854558 NWUOWXHWSKMQAP-UHFFFAOYSA-N 439.943 4.636 30 10 IJEE Cc1ccccc1[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[C@@H](C)CO1 1657356435 HVAIBLJMITXWPM-UUOWRZLLSA-N 434.584 4.801 30 10 IJEE CC(C)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1662166224 CKBRPWGARTWESW-UHFFFAOYSA-N 427.751 4.825 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1CN(C)Cc1ccco1)c1ccc(Cl)cc1F 1669262435 VQRJBNWUCBCRIR-HSZRJFAPSA-N 439.918 4.878 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)cc1C(F)(F)F 1669465503 CZCCZUGPKQWWCX-AWEZNQCLSA-N 444.182 4.734 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1672120584 CZEAVPZCZWADCS-OAQYLSRUSA-N 431.552 4.567 30 10 IJEE C=CCCSCCNC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1673092557 QAKKTINFMYKBSL-UHFFFAOYSA-N 426.405 4.927 30 10 IJEE C#CCN(C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)[C@@H]1CCCc2ccccc21 1676605643 JEURXNRSKCKPFQ-UMTXDNHDSA-N 445.607 4.518 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 1678356173 NULOQUIAGXFLMT-MRXNPFEDSA-N 448.336 4.944 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(F)c(F)c1 1681555382 BDVWJSSZWFSBEJ-MJGOQNOKSA-N 448.819 4.985 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 1683854370 DDFSBLYRMWAURS-REWPJTCUSA-N 426.532 4.868 30 10 IJEE C=C(C)CCNC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I 1686528086 VAGJRHOJYDVGLG-GOSISDBHSA-N 438.284 4.785 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1 1687443659 PBUZZUFXKNUMJM-UHFFFAOYSA-N 448.032 4.516 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1689880331 ZTVNMSRIXUKKFG-UHFFFAOYSA-N 449.643 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(Cl)cc1OC 1690209179 NAKJWVVIZNFXCS-JOCHJYFZSA-N 426.973 4.633 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H]1C 1690221981 FYOZLBJIECVWIC-ONGXEEELSA-N 446.212 4.912 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCC#N)CCC(C)C 1690222118 KDOBKIDZKILKFA-UHFFFAOYSA-N 447.337 4.528 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(Cl)c1 1690242794 CNVMSHRBQNVZEG-SIKLNZKXSA-N 437.975 4.920 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1690328065 DTDSMDZVICDTTP-QKNQBKEWSA-N 430.980 4.935 30 10 IJEE C=CC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1690408263 BRUHQXHZQRNZSI-IBGZPJMESA-N 446.452 4.759 30 10 IJEE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](COC)C1 1690454223 YYTOXZUDMXUBEP-QHCPKHFHSA-N 449.599 4.561 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C)c1 1690463120 VRCMJXDXRCGYMM-UHFFFAOYSA-N 445.615 4.753 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1690578261 SRNMHSUCYYIVDC-PWRODBHTSA-N 443.661 4.547 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@](C)(CC)O1 1690607385 LLPHURHPRASNPP-BWKNWUBXSA-N 435.572 4.824 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)C1CCCCC1 1705478032 VNPBQISADAYCPA-LLJLJFOGSA-N 445.007 4.861 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705526612 ISPRSAHBHHEENP-OALUTQOASA-N 425.646 4.608 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCc1cccc(C)n1 1705668416 LGCNBOHFTUZOLI-FQRUVTKNSA-N 447.558 4.886 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C(C)C 1705695581 IXQZKZSYGCJFKB-GHTZIAJQSA-N 441.963 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(OC)nc1OC 1705712921 MAKUNHYFKORLEH-UHFFFAOYSA-N 433.512 4.554 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nccn2C(F)F)CC1 1705776545 JBKZNGNIWXAYES-OAHLLOKOSA-N 446.477 4.600 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705802952 ZUSVWQDFUSDXQF-YRXWBPOGSA-N 429.609 4.640 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCNC(=O)c1ccco1 1705864971 CWXAJEYTMVJTSX-UHFFFAOYSA-N 447.564 4.531 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CC1(O)CCCCC1 1705868659 WJAPJTUDNHAYKY-UHFFFAOYSA-N 443.642 4.583 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCO1 1705881527 ROBJHRKOHJWTHC-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nc(C(C)(C)C)cs1 1722278790 RHGYJKGNPRWKSH-INIZCTEOSA-N 445.596 4.595 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCc2cccnc21 1722279345 BNSLGQJEEBYHAE-WMZOPIPTSA-N 435.959 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@@H](C)N1CCCCC1 1722279409 OTLRMWYMJCDPKJ-NHCUHLMSSA-N 430.600 4.524 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722339585 XIIRTEQTYIFVRH-XMSQKQJNSA-N 445.007 4.526 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cc(C(CC)CC)no1 1722353887 VUOZBFAEUONLFY-UHFFFAOYSA-N 430.512 4.609 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCCC(F)(F)C1 1722378508 PIFUDLNSBBZFQU-LJQANCHMSA-N 433.506 4.782 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1722488375 HAESUWABYUYCCV-UCLAIMLFSA-N 433.369 4.932 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](CC)c2ccccc2)CC1 1722568304 GSZHXHOXEFIHKU-LJQANCHMSA-N 435.597 4.620 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2nccnc2C)CC1 1722575267 CGSYLFRQXDQDQY-UHFFFAOYSA-N 443.382 4.995 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(F)(F)F)cc2)CC1 1722579290 NDMKLVACEWDPGX-UHFFFAOYSA-N 444.505 4.609 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCO[C@@H]1CCCC[C@@H]1C 1722662669 KNBBHABVEIIVJS-GHTZIAJQSA-N 438.601 4.585 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCC(OC)CC1 1740533485 BSIKKFMDXFPTEC-LBVWLFBPSA-N 430.980 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCCCO 1740724698 HOLOLCIPABARTF-YADARESESA-N 445.007 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H]1CSC 1740756940 RRGGJASJFHFLOT-FKBYEOEOSA-N 426.630 4.821 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC(C)(C)C 1740762813 GTHHATCUDOBFPM-NFBKMPQASA-N 426.605 4.937 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C(C)C)C1 1740787933 MICPEWUOLRVQGL-AZUAARDMSA-N 444.645 4.585 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1740853688 HTXFZKLBMKWFHA-JOCHJYFZSA-N 432.616 4.610 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C2CC2)C1 1740877082 YLFPPFIDSLMTAY-FQEVSTJZSA-N 429.609 4.595 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(C)cc(C)cc2C)C1 1740974729 HQMABAYYIOBXBJ-FQEVSTJZSA-N 437.975 4.748 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1741001132 LSUPMQKTVFGDLE-DLBZAZTESA-N 438.601 4.528 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CCSC 1744872436 FVFVLAQNUBLHTF-KNQAVFIVSA-N 440.661 4.659 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1744938226 AIBWPPUDAUYZHT-OYRHEFFESA-N 434.632 4.811 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=C)Br 1748773191 UFLITVILGRREIB-OAHLLOKOSA-N 437.769 4.666 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@H](C)N1CCCCC1 1748873112 LPBARJJBWWXJNE-QHCPKHFHSA-N 445.655 4.970 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC(CC)(CC)SC 1748894811 GCLYKNXJZPQLPF-UHFFFAOYSA-N 429.033 4.907 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1749027898 VYZADFWYOLKXMV-LAUBAEHRSA-N 436.581 4.809 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC(C)(C)CCOC 1749056088 UTNQTTSJTDHINT-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1749175884 SEMWDYITHPUPBU-OAHLLOKOSA-N 426.546 4.954 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](c2ccco2)C1 1749235031 MMJSYKIGAVCPSO-OAQYLSRUSA-N 436.556 4.654 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H](OC)C(F)(F)F)CC1 1749292915 YGVIJVCPGQBYFQ-YJBOKZPZSA-N 442.457 4.681 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1749309138 DJCBJDIZCZTVJJ-DEOSSOPVSA-N 437.632 4.567 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)Sc2ccccc2)CC1 1749324662 YIEXKFMHEWWAEG-SFHVURJKSA-N 448.596 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2ccco2)nnc1[C@]1(OC(C)C)CCOC1 1749377162 MYENPUBCUVLUPF-DVECYGJZSA-N 428.577 4.856 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CCC1(O)CCC1 1749592813 ZAWBAIFVYZAZDO-UHFFFAOYSA-N 447.004 4.757 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC2(CCCC2)C1 1749746535 GSLCPSRABAQPQZ-UHFFFAOYSA-N 449.020 4.676 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CCC 1760103354 DFRKEJNZFWRFBF-FPOVZHCZSA-N 439.673 4.998 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[C@H]1CCCCO1 1760165117 JWWXPQSBHNUJHQ-HSZRJFAPSA-N 431.584 4.771 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@H](OCC)C1CCCC1 1760170726 NZVFKVYHJRKFRP-QFIPXVFZSA-N 433.556 4.655 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCSC 1760276238 XSMIISHVDDQRCG-UHFFFAOYSA-N 434.700 4.831 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[C@@H]21 1760303190 FVMHDIKVHVJPIH-MNOVXSKESA-N 444.196 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@H](CC(C)C)N(C)C)CC1 1760383372 OACHEIQEXDSMDP-NRFANRHFSA-N 432.616 4.934 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCCc1nc2c(s1)CCCC2 1760468037 FAJFUAFPXPFCIW-UHFFFAOYSA-N 441.576 4.587 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@](C)(CC)O1 1760482302 FXQMPHWCKTVSLV-BVAGGSTKSA-N 431.584 4.804 30 10 IJEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1764071579 FWPKKUCEUNNLEL-UHFFFAOYSA-N 448.537 4.717 30 10 IJEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1770903786 FHYWYPRNHLMVLP-QPPBQGQZSA-N 444.583 4.514 30 10 IJEE C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=Nc1ccncc1Cl 1772733821 BCSUBYDNZGKQQM-JERZPRFUSA-N 445.928 4.551 30 10 IJEE CCCCOc1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(C)C2=O)cc1OC 1772739059 SHCNJDMVUOHUSO-KHSCPFDSSA-N 440.521 4.806 30 10 IJEE CC(C)CCC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1858724442 BGJIONJXJRZGRS-HNNXBMFYSA-N 440.569 4.532 30 10 IJEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)c1 1858840867 AHLCHDUSIYUWLS-KRWDZBQOSA-N 429.480 4.620 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@@H](COC(=O)C(c3ccccc3)c3ccccc3)C2)c1 1860081420 IUQOQISJBBLTHI-JOCHJYFZSA-N 438.527 4.786 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)/C=C/c1ccc(Br)cc1)c1ccccc1 1861949371 LYCKTOVHMUNFHQ-OWSFEGEDSA-N 439.353 4.520 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc2c(c1)OCCO2 1862419045 PDWQCYLHXMWELT-OAQYLSRUSA-N 443.446 4.505 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2F)ccc1F 1862502624 GBMCBGNDFJCPCO-NRFANRHFSA-N 447.453 4.806 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccccc2F)cc1 1862614973 GIDKDPURONOUSP-QFIPXVFZSA-N 447.510 4.667 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc(OC)c1O 1862720777 DOTDTYCCEMYDAM-QFIPXVFZSA-N 447.487 4.549 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 1862722804 YYEIGTUUAWTHAV-RUZDIDTESA-N 449.510 4.898 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 1862736642 LQQCDKRZFINQBF-OPAMFIHVSA-N 428.444 4.934 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(OC)c1 1862741374 QLWKYQJBLDTQEJ-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCCOc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)c1 1863103140 XFHYMPNCPKLCOD-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE CCCOc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863112990 LIMAXEXADODXPF-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccc(OCCC)cc2)C1=O 1863685869 SKXRBWOEFNOXQM-UHFFFAOYSA-N 444.616 4.668 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1870157019 KWBKJNQEAAAJEV-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE C=CCn1nc(C)c(I)c1C(=O)Nc1cc(Cl)cc(Cl)c1 1871324167 NUBANVUYHMWROJ-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871446643 HCXRVHNGRSKJFT-QRVIBDJDSA-N 443.455 4.748 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871779222 COYSWZAGNKVQSU-HNNXBMFYSA-N 441.380 4.814 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872243516 SMBXLWSPYIPBFZ-JOCHJYFZSA-N 428.598 4.760 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872291528 GYRVDSDCNYRPMP-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccccc1 1872488423 NLWOXYFDKJOPRP-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE N#C[C@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763848 XAIXMFRMSOOAND-CYBMUJFWSA-N 428.813 4.770 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1ccc(F)cc1F 1874228458 KFSVGRAXDQOLEM-AFUMVMLFSA-N 442.491 4.860 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)cc1 1874349001 OJPJPGWDQXDBGH-CVKSISIWSA-N 433.512 4.586 30 10 IJEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc(Br)ccc1F 1874446724 JJJVSRQYFNEXQB-UPWAIKHBSA-N 425.327 4.582 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCCC)cc1OCC 1874473584 MAAPFLMWCWEADZ-HAVVHWLPSA-N 434.606 4.819 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccccc1Cl 1874503701 WCMPZZXJJWQUST-YDZHTSKRSA-N 427.961 4.805 30 10 IJEE COC(=O)COc1c(OC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1874634985 CGJVZZJSDZIZSD-PKNBQFBNSA-N 426.509 4.758 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(F)ccc3Br)cc21 1890473790 IXHIQMBTEBVXAR-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)C(c2ccccc2)c2ccccc2)c1 1891659960 FFFJQEGYJLKMFM-UHFFFAOYSA-N 426.560 4.863 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)c1cc(F)ccc1Br 1922073282 BZLKSVUMSHIEOK-YADHBBJMSA-N 436.365 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](Cc1cncs1)NC(=O)OC(C)(C)C 1922091373 IWKDQUHWTMYGAZ-FCHUYYIVSA-N 445.629 4.720 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C#N)(CNC(=O)OC(C)(C)C)C2CC2)cc1 1944404486 ADJUPRGVNFEYET-QHCPKHFHSA-N 431.533 4.634 30 10 IJEE COc1ccc(C#N)c(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 1977573289 ODHSJRJQFKOOPY-UHFFFAOYSA-N 443.503 4.839 30 10 IJEE CC[C@H]1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1996581202 ARNKNZOCQMMZTA-HRAATJIYSA-N 436.557 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2043829274 VLZMQSUCKBPATM-KYPHJKQUSA-N 445.550 4.873 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2ccc(Br)cc2Cl)C1 2063051217 SJJLCLMGJGEFIK-MRXNPFEDSA-N 429.786 4.833 30 10 IJEE CCc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(I)c1C#N 2080051913 GERLUJMALWDJDH-OAHLLOKOSA-N 445.226 4.940 30 10 IJEE Cc1nn([C@H](c2ccc(OC(C)C)cc2)C2CCC2)c(I)c1C#N 2080104051 OKIROTDCSYVAHI-SFHVURJKSA-N 435.309 4.845 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNc2ccc(C#N)c(Br)c2F)C1 2111960582 CKGGUMPLYNVFEH-CKSWESSHSA-N 430.293 4.515 30 10 IJEE Cc1cc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2132676837 OGNQQWBIWITOIJ-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](Nc3cc(Br)c(C#N)cc3F)[C@H]2C1 2162344255 VWMAMOGFACXONO-JDFRZJQESA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3cc(Br)cc(C#N)c3)CC2)CCC1 2174809992 HBPJEFRRYVPMIS-UHFFFAOYSA-N 434.378 4.985 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181144667 WWEUDTGKVSBGSL-CJNGLKHVSA-N 436.350 4.590 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(F)cc1Br 2225591663 XAGYUSBERWNHCU-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2235717464 BJGRRSMAZOWJKF-QWFCFKBJSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2cccnc2N[C@H]2CN(Cc3ccccc3)C3(CCCCC3)C2)OC1(C)C 2241107822 YRJIMBZMUFMBAF-JOCHJYFZSA-N 447.432 4.770 30 10 IJEE CC1(C)OB(c2cnc(NCc3cc(Cl)cc(Br)c3)c(F)c2)OC1(C)C 2284361302 DFVUGZHFSFVAJU-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE O=C(C=C1SC(=NCc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 2294118738 WIFGYCCMPQJFHL-UHFFFAOYSA-N 445.519 4.980 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2296278354 COIGNGXNJUWJQT-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE CC(=O)c1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 2297375502 XLCLHCJRGANLNI-UHFFFAOYSA-N 446.528 4.684 30 10 IJEE O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccc2)C1=O)NCc1ccccc1 2297672471 PXJXKJOPNPCEIY-QHCPKHFHSA-N 443.572 4.567 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2OCCC[C@@H]21 2313266965 WBQGWBLHGKHHRU-TUGCOKMYSA-N 444.616 4.590 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccc(C)cc3)NC2=O)ccc1O[C@H](CC)C(=O)O 2314934997 LXHFLFCCWDMGAX-QGZVFWFLSA-N 440.521 4.527 30 10 IJEE CCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2321014793 SCJVNVNQEAUYQD-UHFFFAOYSA-N 427.618 4.561 30 10 IJEE COc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccccc1Cl 2321884185 GHMQQKCIDITAKJ-GOSISDBHSA-N 444.944 4.542 30 10 IJEE CCCCCOc1ccccc1C=Nn1c(S)nnc1Cc1ccc(OC)c(OC)c1 2322193073 OYMLMEMMYRARFY-UHFFFAOYSA-N 440.569 4.626 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)c1 2322371818 PFEXXFZZODSNNU-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)C1 2322378828 RBGDNCZRUGZPQX-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)c1 2322788497 HOBYDAGEAVKPDY-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1c(Br)cc(C=NNc2ccc(F)cc2)c(OC)c1Br 2322961460 ZILLQFKLECXSON-UHFFFAOYSA-N 432.087 4.814 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(OC)cc3)ccc2OC)o1 2323094394 VDICNNHDCHGFRL-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323370422 GECKXWYNNPLGDY-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc(O)c2CN2CCc3ccccc3C2)C1=O 2324111101 AYPPBDRBBFLKKM-UHFFFAOYSA-N 427.500 4.965 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OC)c1OC 2325610628 GEUIQVVLLLCIBC-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c(OC)c1 2325761216 HZDWLSBALZJZPV-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2329278662 ROCFUVBFTGCGHX-UHFFFAOYSA-N 444.560 4.800 30 10 IJEE CCC(=NOCc1ccc(Br)cc1F)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 2330272801 PSIWIPGMSRYIDL-LBPRGKRZSA-N 435.293 4.663 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1C 2330858193 HARNLRGRWXQLSM-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1sccc1C 2330866691 GULWMXNKMXESSZ-UHFFFAOYSA-N 435.663 4.860 30 10 IJEE COCCc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331281295 GGTXXVMSHBALIQ-UHFFFAOYSA-N 449.349 4.543 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cccc(OC)c1 2331325985 LUUKCMRBAAZLBR-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccs1 2331349331 LBPJUFAIAUOCNM-INIZCTEOSA-N 427.599 4.534 30 10 IJEE COc1cc(Br)cc(C=NNc2oc(-c3cccs3)nc2C#N)c1OC 2331938142 ITTWGOHKAMVGPQ-UHFFFAOYSA-N 433.287 4.500 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(Br)cc1Cl)NCC)C(=O)OC(C)(C)C 2337910644 AOAWCVWGTPXODC-QGZVFWFLSA-N 443.813 4.884 30 10 IJEE CC(C)(C)OC(=O)NCCC1CC(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339543778 WNXVUTNTJSLYEX-UHFFFAOYSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC(C)(C)[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339578999 OYXKQZOIEHZHID-IEBWSBKVSA-N 444.381 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339588939 PTTDQZDTFNZJDD-JXOMPUQVSA-N 443.397 4.785 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(Oc1ccc(C=CB3OC(C)(C)C(C)(C)O3)cn1)C2 2339593214 CAEFZESUCMKIMC-RKDDFOCISA-N 442.365 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CCC(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339601662 ZLASOFBVBMMHET-JLHYYAGUSA-N 444.381 4.752 30 10 IJEE C=CCN(CC[C@H](NC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2339704031 WQGSRPSLEYQMRC-KRWDZBQOSA-N 427.383 4.840 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)C#Cc3ccccc3Br)C[C@H]21 2358671955 PVYRYBVOFGBIEQ-DYXSILKMSA-N 430.342 4.548 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2ncc([N+](=O)[O-])cc2C#N)c1 2370357339 OOYWTAGLMAYAJO-UHFFFAOYSA-N 435.234 4.763 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 20831032 APEBFVFVRQOHFD-QFIPXVFZSA-N 447.608 4.671 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccc(C)cc1 35444694 ILGBBSWLVIEAEP-KKFJTVDOSA-N 432.564 4.705 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(Br)c1 38704726 YHRPPYGWVAGEJZ-NRFANRHFSA-N 438.325 4.893 30 10 IJEE C=C(Br)Cn1c(CCCNC(=O)Cc2ccccc2C)nc2ccccc21 40208417 CXQPKWISVDXLEO-UHFFFAOYSA-N 426.358 4.545 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)c4ccco4)cc(C)c3C1=O)cn2C 41250708 JXVSJAOEBRICGU-YVNNLAQVSA-N 429.428 4.924 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)c1 41287465 PAUMWQYTYLZGDZ-UCQKPKSFSA-N 446.455 4.856 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 41655245 JJSTYGZHCPAWDN-QRVIBDJDSA-N 446.434 4.745 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(\C)c2cccs2)n1 59038909 MIQFAWFXNYSGQU-LPYMAVHISA-N 444.611 4.711 30 10 IJEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 59892482 VHOOWJCEDSOXGN-WYMPLXKRSA-N 428.484 4.778 30 10 IJEE CCCOc1c(Br)cc(/C=N\S(=O)(=O)c2cccs2)cc1OCC 169908123 KSPJXVACYAPOJH-WQRHYEAKSA-N 432.361 4.506 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(O)cc2)c1 169965185 WZUQHEKKPSDEGF-OAQYLSRUSA-N 448.544 4.861 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971368 SQSLBPFDZJAPMU-QFIPXVFZSA-N 449.409 4.785 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccccn2)cc1 169999969 JBUOYADKZGAPEW-QFIPXVFZSA-N 438.487 4.612 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)c1 170022252 ATKREQOOGINNRJ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 170027728 PHQJQEBUTYWPBX-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1cccs1 170164097 YOMYQYNKCNUASZ-HXUWFJFHSA-N 443.565 4.669 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1cccnc1 170196430 HWQXCAJOISISAP-HSZRJFAPSA-N 449.595 4.608 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccc2ccccc12 170220397 NSLBAFSMYKOYMC-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)c(OC)c1 170238852 GDOUZXYTFIEGJE-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccco1 170289677 UNCROGGXUUHHCQ-OAQYLSRUSA-N 428.444 4.560 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302434 SYQBJQVRTUKYKP-NRFANRHFSA-N 432.432 4.896 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(NC(C)=O)c2)cc1 170393850 UCTQBHCELITHMC-JOCHJYFZSA-N 430.460 4.583 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccccc2C)cc1Cl 170397300 GGPGKERIYJHIRC-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C 252636493 XIYZFRPIYLPELG-KRWDZBQOSA-N 446.370 4.602 30 10 IJEE COc1cc(C=NNC(=S)Nc2cccc(C)c2)ccc1OC(=O)c1ccc(C)cc1 254488529 WZCAEDQVOKKKOX-UHFFFAOYSA-N 433.533 4.852 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 304112728 ZFMNGBUVJVJMKV-QZTJIDSGSA-N 446.316 4.678 30 10 IJEE C=CCC[C@@H](NC(=O)CCc1nc2ccccc2oc1=O)c1ccc(C(F)(F)F)cc1 441582590 RPBGQQUWAXKATB-QGZVFWFLSA-N 430.426 4.963 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)CC1 443316810 WSMSVMPWPCOHAD-UHFFFAOYSA-N 446.482 4.551 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1 443320988 PLDHTJHKEROMRX-UHFFFAOYSA-N 445.441 4.882 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)[C@@H](C)c2c(F)cccc2F)nnc1-c1ccco1 480117823 UMJNAIULIQRSKK-AWEZNQCLSA-N 432.496 4.704 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCc3cnn(C(C)C)c3C2)cc1OCC 480482533 QMEWOOMSURKVFI-GOSISDBHSA-N 448.405 4.837 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 485509673 ZJKZGGWDCSNDFD-LJQANCHMSA-N 446.576 4.960 30 10 IJEE Cc1nnc(Sc2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(C)c2)s1 502997532 XWVKJSXSMUCWKT-FQEVSTJZSA-N 432.571 4.506 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@]2(C1)OCc1ccccc12 508496145 CKUNANBXSUHKHT-AREMUKBSSA-N 425.536 4.562 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H](CN4CCCCCC4)C3)c2)cc1 523743354 MMIPUIWVMPHLPX-XMMPIXPASA-N 431.580 4.865 30 10 IJEE C=CCn1c(SCc2nc3ccc(Br)cc3[nH]2)nc2sccc2c1=O 544624459 SLMOHCSFEUIQME-UHFFFAOYSA-N 433.356 4.575 30 10 IJEE N#Cc1ccc(CCc2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)cc1 546247221 DCFKQWQFICPAEV-UHFFFAOYSA-N 439.500 4.695 30 10 IJEE Cc1c(C#N)c(NC(=O)CSc2ncn(-c3ccccc3)n2)n(C2CCCCC2)c1C 590612688 CYSBDUJOTKUHTO-UHFFFAOYSA-N 434.569 4.793 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)cn2)c1 615360072 RDEPFSGUIVEITK-JOCHJYFZSA-N 444.466 4.577 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669817359 WASUHQLNQMFEHX-YADHBBJMSA-N 434.588 4.876 30 10 IJEE C#CCN(C(=O)CCc1ccccc1OCC)[C@@H]1CCOc2ccc(Br)cc21 733113946 HVIGCUPDPQRUGQ-HXUWFJFHSA-N 442.353 4.766 30 10 IJEE CCc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2oc3ccccc3c2C)cc1 734296246 OHBRCPRTGASNEP-NRFANRHFSA-N 435.549 4.571 30 10 IJEE C[C@@H](OC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(=O)Nc1sc2c(c1C#N)CCC2 745594537 HJYJFQUEUNOYDO-GFCCVEGCSA-N 449.507 4.857 30 10 IJEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N 755010250 IMBJWLFGPXFWRA-UGEDRFTOSA-N 439.493 4.574 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 802551416 UJVRITSOVHPFLC-DNVCBOLYSA-N 427.911 4.675 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@H]2CC[C@@H](OC)C2)C1=O 1116748829 RUKSMJQVFKFIGP-QKLQHJQFSA-N 445.629 4.569 30 10 IJEE N#CC[C@H](C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)c1ccccc1 1126214055 AMTUOLPKWAMXEC-SANMLTNESA-N 443.522 4.751 30 10 IJEE C#CCN(C(=O)COc1ccc(Cl)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1126227608 BTECKWRCVSYOKK-LJQANCHMSA-N 448.744 4.775 30 10 IJEE C#CCOc1ccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1 1127727259 GBMUDBJGSLOLNM-DEOSSOPVSA-N 444.531 4.848 30 10 IJEE Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C#N)cc2F)c(Br)c1 1128592146 CDDPZNASTLDGBU-QGZVFWFLSA-N 431.305 4.590 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1129819051 GHCLPVWHFOVTGU-GMAHTHKFSA-N 427.470 4.506 30 10 IJEE N#CCCn1ncc(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)c1-c1ccccc1 1130870146 DKJFBWJCPZWYDA-UHFFFAOYSA-N 425.319 4.969 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 1167291437 MZEAWJQWEASRCZ-INIZCTEOSA-N 425.386 4.861 30 10 IJEE C=CCN(CC=C)[C@@H](CNCc1cc(Cl)ccc1I)C(C)C 1177222353 IEOCSXMDTDGMKY-SFHVURJKSA-N 432.777 4.733 30 10 IJEE CCCC[C@H](SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C(=O)OC 1189265353 BQEMDAPBIQVCKD-FQEVSTJZSA-N 445.560 4.568 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C(F)(F)F)cc3)cc21 1209767138 COPHNPVYXAJSDK-UHFFFAOYSA-N 445.489 4.837 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2F)c2ccccc2Cl)c(C)c1 1210140765 GAULZIUWDCPVGK-QFIPXVFZSA-N 444.915 4.736 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(C)c(Br)cc1F 1211566923 MYZMKQRDWPRGKL-UHFFFAOYSA-N 428.323 4.595 30 10 IJEE Cc1sc2c(C)cccc2c1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1211784042 BFQDLHXZKCWLQG-UHFFFAOYSA-N 444.553 4.761 30 10 IJEE C#C[C@@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)c1ccc(Br)cc1 1230498829 LHTPHHGBRGRHCU-OAHLLOKOSA-N 443.675 4.878 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1 1234182827 GOJQNZJJSLLDOI-XYWHTSSQSA-N 440.588 4.531 30 10 IJEE C#C[C@H](NC(=O)N(C[C@@H](O)c1ccc(OC)cc1)[C@H](C)Cc1ccccc1)c1ccccc1 1252458219 IZKGPRIZJDEOLO-COFKYPDJSA-N 442.559 4.746 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2cc(F)c(Br)cc2Cl)c(OC)c1 1270342554 PITLINPDVLJABM-UHFFFAOYSA-N 429.669 4.963 30 10 IJEE C=C1CCC(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)CC1 1278820168 ONNHEMSDZANXOU-VXKWHMMOSA-N 428.573 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1286304431 GZXNRAWVTGQUQV-GOSISDBHSA-N 446.064 4.946 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1cc(C)on1 1286339562 OLXMNKOTZVHXIO-UHFFFAOYSA-N 448.752 4.707 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1 1286534011 OJAJGSORTPTZLS-ZDUSSCGKSA-N 431.712 4.989 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286588014 HZZKBIHBLKWTKE-WMZOPIPTSA-N 445.995 4.914 30 10 IJEE C=C(C)Cn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286598590 SHMFJHGUBGJRMD-POAQFYNOSA-N 443.567 4.961 30 10 IJEE C=C(Cn1c(N2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)nnc1C(C)(C)C)c1ccccc1 1286619776 VZYLVPRNAWTDBC-UNMCSNQZSA-N 437.632 4.810 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CCC 1286628182 CLBTZLTWTBTGDQ-MRXNPFEDSA-N 426.005 4.770 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1286677904 LZCAKJTVIDCEGP-JTHBVZDNSA-N 430.600 4.873 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)CC1 1286708436 UEBYFWBCYNJOPR-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C2CC2)CC1 1286760087 JMTIAFRSICIGIQ-IBGZPJMESA-N 427.593 4.719 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(Cl)cn1C)c1ccc2c(c1)OCCO2 1293124626 CEIFAAMYTJFWBA-UHFFFAOYSA-N 438.911 4.862 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C)s2)cc1 1296798188 FOLAPRIIQYZVOZ-AEFFLSMTSA-N 439.585 4.973 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(C(C)(C)C)no2)CC1 1301134941 DDMAKVHSYNUORJ-TZIWHRDSSA-N 441.620 4.933 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](COCC)C1 1301140047 ZIDYADMLWLCPBG-LJQANCHMSA-N 434.588 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1301152128 USYVWYPHWSOQHJ-UXHICEINSA-N 431.669 4.990 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1301166138 QERNXXGKPIZOCO-QFIPXVFZSA-N 428.540 4.557 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CC1CCN(C2CC2)CC1 1301348932 CWLQWKZZAWPTBV-IBGZPJMESA-N 425.596 4.998 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301612374 LRAZCBZJPOQISG-LJQANCHMSA-N 449.665 4.691 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](c3c[nH]c4ncccc34)C2)CCCN1C(=O)OC(C)(C)C 1301946257 CMXZIAVZCHZTFR-BVZFJXPGSA-N 438.572 4.615 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 1310374856 ZXHTVIATJDCZOS-UHFFFAOYSA-N 437.515 4.775 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCCSC[C@@H]1c1ccccc1OC)C(C)C 1311388707 QNXYJZUJSDYICI-FGZHOGPDSA-N 431.646 4.583 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)c(C(=O)OCC)c1C 1349732705 ADNOEZHKGBQELW-UHFFFAOYSA-N 427.478 4.883 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3cc(Br)ccc3F)cn2)cc1 1350585070 AJFFZTMJXGOOSC-UHFFFAOYSA-N 426.245 4.828 30 10 IJEE C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc(COc2ccccc2C#N)c1 1352785443 GGBDPOWDRYSHSZ-GOSISDBHSA-N 428.488 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCCN1CCCC 1358873363 ICTWLOXKLUUVGE-VWNXMTODSA-N 433.644 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1CCCC[C@@H]1C 1358891692 LCEQEJZDCUDDQB-PMACEKPBSA-N 428.024 4.635 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCC1CCCC1 1359018781 CBLVSQQFYBPIME-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)CCC(C)C 1359069404 LCWQXLSRSMYBSK-CLJLJLNGSA-N 447.583 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCC(F)F)nnc1C1(c2ccccc2)CCC1 1359104777 FUPUSBZEDVAEFN-RXVVDRJESA-N 430.543 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1359116357 IJPNDXNKZRZLHQ-ALGQRKQJSA-N 443.636 4.887 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CCOCC2)C1 1359197894 CDGGSNJOPZNBAU-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1359203570 RBWIUYZZEGFLBY-GGAORHGYSA-N 442.579 4.618 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCCCC1 1359258030 DLCQZVGJPRYYEN-QHCPKHFHSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC(C)CC1 1359262475 UTZSZHHJQQAIBQ-UHFFFAOYSA-N 446.624 4.803 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1CCC 1359270413 OHZHRNIGUBUESP-WIYYLYMNSA-N 432.572 4.775 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccsc1 1359278662 BUEFXDTWSPOEKE-INIZCTEOSA-N 428.627 4.880 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)C(C)C)C1 1359314849 IXSOVTJPOUYHGN-HXUWFJFHSA-N 434.588 4.799 30 10 IJEE C#CCOc1ccc(COC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 1435848127 PILNJCVAQKZOOP-UHFFFAOYSA-N 442.334 4.871 30 10 IJEE C#CCCCCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1436582276 HIDRPRMGRTWXAN-REWPJTCUSA-N 437.511 4.759 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 1439952739 UQIGSWCJRDOQBX-MUUNZHRXSA-N 433.942 4.722 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1442550190 YQFFAYWEYSIQIM-QHCPKHFHSA-N 431.536 4.607 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1450658037 GZZQQTLLBLNJDM-QFIPXVFZSA-N 446.551 4.821 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 1460441941 DCPXDYTVTYRGTG-UHFFFAOYSA-N 437.290 4.797 30 10 IJEE C=CCc1cc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cc(OC)c1OC 1460916299 RCFMNIQSNCLSGI-GOSISDBHSA-N 442.365 4.513 30 10 IJEE CCCOc1ccc(C(C)(C)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 1463582876 FRQLQEGXLLUUCJ-UHFFFAOYSA-N 426.460 4.579 30 10 IJEE C=C1CC(C)(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)C1 1463972341 WWXAPUMALMZPJQ-VIZOYTHASA-N 425.337 4.502 30 10 IJEE CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1464091882 BQNAEALYFBFJGG-FQEVSTJZSA-N 436.512 4.864 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccnn1Cc1ccccc1Br 1466277621 ISTAGDIOTDUHFN-UHFFFAOYSA-N 439.357 4.957 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1467699068 CFCZBVXALYDKFJ-HHXXYDBFSA-N 427.898 4.808 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2ccc3nc(O)n(CC(F)(F)F)c3c2)cc1C#N 1468278930 BZJIALSFZOPAGN-UHFFFAOYSA-N 432.402 4.605 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-n2cnc3ccccc32)nc1 1469266290 IEKQNTNMTISQPF-INIZCTEOSA-N 449.436 4.994 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)CCOc1c(Cl)cc(Cl)cc1Cl)C1CCOCC1 1470864619 HEOAIVVDYWIYSE-GOSISDBHSA-N 447.790 4.876 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](COC)c1cccc(Br)c1 1471139340 ANVLFSFGKNVTHM-HXUWFJFHSA-N 449.393 4.702 30 10 IJEE C=CCCCCCCNS(=O)(=O)c1c(Br)cc(F)cc1Br 1475279387 JBPPUQYEUNZXJF-UHFFFAOYSA-N 443.176 4.766 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1 1476527977 HBZXFEXOHWTOEO-UHFFFAOYSA-N 427.932 4.544 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccccc1 1478257081 HACUEEBRHBBENV-VABKMULXSA-N 427.976 4.718 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)cc1 1478455705 GSEIKYVSDYQKTE-NRFANRHFSA-N 441.369 4.672 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(CC)CC)C1 1499574825 BUHXFEQNDOUDOV-DENIHFKCSA-N 432.572 4.729 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)SC)[C@H]1CC[C@H](C)C1 1504860309 FXNLURKIQLLOBE-PXNSSMCTSA-N 427.618 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1c[nH]nc1C 1507520601 PTYJJCMYBWGCQE-CQSZACIVSA-N 438.988 4.935 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccccc1)C1CC1 1507520977 UFYZKHYGXVPMEK-KXBFYZLASA-N 438.373 4.687 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1scnc1C 1507524112 URTYWGHHDXLZMI-OAHLLOKOSA-N 425.627 4.741 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCCSC 1507579509 YWQDPZBPRQQAKA-UHFFFAOYSA-N 425.627 4.980 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C 1507701241 ARGRSSRJWJHXDR-URXFXBBRSA-N 426.580 4.707 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCN(CCC)C(=O)OC(C)(C)C 1507772345 JJUBVNOQKBRIGS-XMMPIXPASA-N 431.625 4.506 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCSC 1507798060 FYDFGIUKOACESH-XMSQKQJNSA-N 439.629 4.607 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1csc(Br)c1 1507798251 GPTSPCIOKBOQPY-DOTOQJQBSA-N 437.407 4.597 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br 1507844917 SLUZYFLQQFVCDT-LJQANCHMSA-N 449.393 4.511 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCOCC(F)F)CC1 1507881602 XSJWVNILHMDEHB-MRXNPFEDSA-N 436.572 4.960 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1507928836 MGJQDSBGLZWROE-NRSPTQNISA-N 439.604 4.550 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507974379 WYNPCZNIIZPKIL-KKSFZXQISA-N 437.371 4.602 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCO[C@@H]1CCCC[C@H]1C 1508003889 FTTDCCXIPFJCFK-NFBKMPQASA-N 432.572 4.523 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1C)c1ccc(Cl)cc1 1525039459 WWURANMRRKVPBW-LJQANCHMSA-N 428.717 4.701 30 10 IJEE C#C[C@@H](NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccc(Cl)cc1F 1525069253 CXSRNVKPAWASCW-OAQYLSRUSA-N 431.898 4.910 30 10 IJEE C#C[C@@H](CC)NC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 1528497497 MVTOAGPYVOQQJL-AWEZNQCLSA-N 446.395 4.741 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc([C@H]2CCOC2)nc1C 1529484992 BRNGXSDTWHYLNE-ZDUSSCGKSA-N 439.350 4.685 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC(C)(C)Oc3cc(Br)ccc32)c(OC)c1 1530308279 NWOHQFSZHOWARP-UHFFFAOYSA-N 446.341 4.769 30 10 IJEE C=CCN(C(=O)c1ccc(-c2csc(C)n2)s1)[C@H](Cc1ccccc1)C(=O)OCC 1538618500 LLQZVEHTLBGIML-LJQANCHMSA-N 440.590 4.983 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(F)ccc1SC 1539546301 FYRHAPQGHDHYKA-JOCHJYFZSA-N 441.963 4.895 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(CCC)CCc1cccs1 1539612076 HQBJCGYARAJMSM-MRXNPFEDSA-N 425.396 4.559 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1)c1ccccc1 1539645058 FJPHNDHEOFXYJA-LJAQVGFWSA-N 426.563 4.909 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1539842034 PLDOMWMYXJPUAI-OAQYLSRUSA-N 439.604 4.959 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(F)cc(OC)c2)CC1 1539859069 IYBREEGUMZPRIQ-NHCUHLMSSA-N 428.552 4.549 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C 1539917014 QDSVVONLSOUEDS-RBUKOAKNSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1539989011 MUUFNIPQIGMTBK-SFHVURJKSA-N 442.951 4.649 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1540005872 PJVJFNIXCUGSJE-UHFFFAOYSA-N 425.621 4.554 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(OC(C)(C)C)nc1 1540048983 DQOTYIZWKZNNOC-QGZVFWFLSA-N 439.535 4.800 30 10 IJEE C=CCN(c1nnc(C(C)(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1540094183 HPAUPGSOHIMLQU-GOSISDBHSA-N 431.625 4.910 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)c1 1540732850 RFZCHOCBMCJVHQ-UHFFFAOYSA-N 441.936 4.669 30 10 IJEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC(C)C)C1CCCC1 1540856851 BLWJEHLRDJRYRP-UHFFFAOYSA-N 434.588 4.827 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(CC#N)CC3)n2Cc2nc(C)cs2)cc1 1542508847 AJOWRDFSAVZWIH-UHFFFAOYSA-N 438.626 4.822 30 10 IJEE C#CCN(C(=O)c1nc(Cl)sc1Cl)[C@H]1CCOc2ccc(Br)cc21 1543686236 WKHWDPUTMBXRDY-NSHDSACASA-N 446.153 4.812 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 1556214206 FEUBRAIUUYFJQO-UHFFFAOYSA-N 436.533 4.638 30 10 IJEE C#C[C@@H](CC)NC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1556484611 CIEAYGVEXFUXOH-SFTDATJTSA-N 444.575 4.956 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(OC)cc1C(F)(F)F 1560303403 JUPLMTAIZQGGMO-UHFFFAOYSA-N 428.248 4.778 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(c2ccc(OC)c(OC)c2)CCCCC1 1564053346 LOPNDODIUNZOBJ-UHFFFAOYSA-N 438.543 4.890 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc1OC 1587264908 FNGZGYAIUKBNCM-ACCUITESSA-N 438.524 4.937 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1587798940 WRGSJPDOYDABGR-ZCNNSNEGSA-N 429.609 4.636 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOC(C)(C)C 1587818002 NLXGWPLRMBDLDP-UHFFFAOYSA-N 437.357 4.511 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1593840439 HVJGNHVWVTYRJW-CQSZACIVSA-N 439.785 4.772 30 10 IJEE C=C(Cl)Cn1c(N(CCC)Cc2ccc(F)cc2C)nnc1[C@]1(OCC)CCOC1 1593932358 HVRSEXCZVAJUKY-QFIPXVFZSA-N 436.959 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1594511897 XOTUHCAYGCKDJM-DEOSSOPVSA-N 440.588 4.770 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1594545193 RIZZJEYWCBHYBK-AUSIDOKSSA-N 436.922 4.795 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccc(Br)o1 1595434837 XCCCFIZXEPQKGX-UHFFFAOYSA-N 431.334 4.652 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2ncc(CC)s2)C1 1595701183 XHHUNDOELJVYRW-SFHVURJKSA-N 444.004 4.641 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccc(C)cc3)C2=O)nc2sc(C)c(C)c2c1=O 1613269847 OSJOASVOCYSFRM-SFHVURJKSA-N 439.606 4.857 30 10 IJEE C=CCn1c(SCc2ccc(F)cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3 1613283311 AUNSNVOLQZEDDN-UHFFFAOYSA-N 431.514 4.862 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)NC(=O)OC(C)(C)C 1614746239 HJKDDDJARQIIFL-UHFFFAOYSA-N 440.592 4.746 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2nc(C)c(C)s2)cc1OCC 1620833910 PLUBQFMVABTCLR-UHFFFAOYSA-N 425.392 4.818 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1C#N 1624973347 FASHNLGKNGJHIS-HXUWFJFHSA-N 442.560 4.791 30 10 IJEE C#C[C@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1625828473 LODFDVJYDKMMAO-SIBVEZHUSA-N 438.527 4.713 30 10 IJEE N#Cc1ccc(NCC(=O)Nc2nc3cc(Cl)ccc3n2CCCc2ccccc2)nc1 1626690870 BTBXCWXQZRJTST-UHFFFAOYSA-N 444.926 4.640 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cnn(C2CCN(C)CC2)c1)c1ccc(C(F)(F)F)cc1 1626891616 JUUSHOGJKXXMLX-HXUWFJFHSA-N 435.494 4.998 30 10 IJEE C[C@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CN1Cc1ccccc1 1631343578 FHUUFKWGMWHFNE-CPJSRVTESA-N 425.532 4.530 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC(C)(C)CCc4ccccc43)ccc2c1=O 1634855330 NBXJBNYNOTWTAK-OAQYLSRUSA-N 433.577 4.705 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(CCC(=O)OC(C)(C)C)c3)n[nH]2)c1C 1635740945 JRSQPULRMYIZJF-UHFFFAOYSA-N 449.555 4.603 30 10 IJEE C=CCn1c(SCc2cc3c(cc2Br)OCO3)nnc1-c1cccs1 1640975102 SVFUFIMDCGSZRE-UHFFFAOYSA-N 436.356 4.976 30 10 IJEE C#C[C@H](NC(=O)c1cc2cccc(C(F)(F)F)c2nc1O)c1ccc(Br)cc1 1641520898 HZJNBCBYXOMACE-INIZCTEOSA-N 449.226 4.826 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1643257199 GEOUBWKPOIJPBU-AZUAARDMSA-N 444.560 4.585 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1643338222 MQIQSDAFFGRTHP-ZFWWWQNUSA-N 434.627 4.981 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OC)nnc1-c1cccc(Cl)c1 1643805400 FALDVJSVIGXOMX-GOSISDBHSA-N 431.920 4.800 30 10 IJEE C#CC1(O)CCN([C@H](C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)c2ccccc2)CC1 1643960244 FQDBXBHQVCSIDZ-QHCPKHFHSA-N 445.588 4.512 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1)C(=O)OC 1644819173 CLFRXQPSUWFCKS-XMMPIXPASA-N 445.563 4.843 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1 1655414403 JIKAKNRCEJQJPA-CYBMUJFWSA-N 426.330 4.591 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCC2(CC1)CCN(Cc1ccccc1)CC2 1659216452 FJSLWCBWJYQXKL-UHFFFAOYSA-N 436.987 4.528 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2 1662067733 QTUIRQOQLLTXLD-KRWDZBQOSA-N 441.959 4.741 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 1665774324 KRROZEXCMVDDJU-CALCHBBNSA-N 440.401 4.654 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 1665813341 GWTNYQSWWJVHLO-OWAUWMPXSA-N 441.531 4.884 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1666799610 PTYVMTFCAVQEJP-FCHUYYIVSA-N 448.629 4.748 30 10 IJEE N#CCc1ccc(NC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)cc1 1667042774 DXGMMDLEPLFAQM-UHFFFAOYSA-N 428.330 4.728 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1668042044 DXNCCOGSICITTL-KNBMTAEXSA-N 437.531 4.917 30 10 IJEE COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2ccccc2CC#N)c1 1668230187 CULFNOWSIVOBGQ-UKILVPOCSA-N 432.545 4.681 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1Cc2cccc(Br)c2C[C@@H]1CC 1669536350 IPEFBJMSQAMTMP-INIZCTEOSA-N 431.305 4.969 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(F)c(F)c1 1671852441 YOSGXMHAAADIEY-MOPGFXCFSA-N 435.515 4.813 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 1680854858 HVHYLZPNAOVHBP-RTBURBONSA-N 441.494 4.975 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCCOc1cccc(Br)c1 1682907366 ZMGRHFOPDDGHQT-UHFFFAOYSA-N 429.767 4.941 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@H]1C1CCCC1)[C@@H]1CCOc2ccc(Br)cc21 1684789170 AJBCGMIDVXZHSZ-XKGZKEIXSA-N 431.374 4.744 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1689875225 NFCQDJYKZIWFAP-IBGZPJMESA-N 431.625 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CC(C)(C)c1cccs1 1690207602 FIJBPHARGBZAOD-RUZDIDTESA-N 434.609 4.909 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1 1690228805 GIUVRQIUUSTHGE-UHFFFAOYSA-N 446.437 4.719 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOCCOC)CC1 1690365891 KBHUCLMWLPTCDU-UHFFFAOYSA-N 449.599 4.562 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2sccc2C)CC1 1690367723 ZPIAGDITXJSCQB-UHFFFAOYSA-N 440.569 4.546 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1690452066 WBWKYYNUUZQYFV-IRLDBZIGSA-N 441.595 4.978 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1690478365 VANYCLBZKUCOHV-UHFFFAOYSA-N 425.577 4.747 30 10 IJEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCC(Cl)=C(Cl)C1 1690511210 SVEBZZLBEYDBJO-UHFFFAOYSA-N 437.371 4.658 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(C)CC1)C(C)C 1690581229 NMVRTRIYGBIOLA-OAQYLSRUSA-N 441.023 4.849 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](F)C1 1692820808 FVIBMBHAABTMKK-HQRMLTQVSA-N 429.515 4.825 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)N1CCC[C@H](C)C1 1705544814 FCHBCWYDNRFBJU-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCCC[C@@H]1C 1705577154 CUYZPRAPWOECPI-QFIPXVFZSA-N 431.628 4.580 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)c1ccccn1 1705604549 OIXNWVZCGVELIS-SFHVURJKSA-N 437.975 4.904 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1705624713 MHOFKGUQLRCGRV-HZPDHXFCSA-N 440.897 4.978 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)C1CCC1 1705697762 NICKFYNRCSEUIQ-QFBILLFUSA-N 431.378 4.678 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)SC)CC1 1705785336 DVOSTQYPTDJKJY-WMZOPIPTSA-N 435.638 4.504 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC12CCOCC2 1705798211 MWHMQWOJEJPJSJ-LJQANCHMSA-N 429.996 4.993 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705803007 BZUZRBNZGXZZQU-FGZHOGPDSA-N 440.588 4.712 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1705810381 WTAHEOAPJDOROR-SLFFLAALSA-N 447.624 4.616 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CCC2)CC1 1705822999 YKOMJQUJRQSEFA-UHFFFAOYSA-N 437.632 4.930 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(Cl)cc1 1705847439 TUAUDVMMLKPFMW-SFHVURJKSA-N 431.968 4.674 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1705887177 RDKWTYVUYLQNGC-UTCTYZAISA-N 437.632 4.922 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCc2cccnc21 1722279344 BNSLGQJEEBYHAE-SJLPKXTDSA-N 435.959 4.580 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1CCCCO1 1722280064 IRSJCBMYXUAGAE-LPHOPBHVSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)c1nccs1 1722311179 SFIAHLBRSIJIAK-AWEZNQCLSA-N 447.406 4.536 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)c2ccccc2)CC1 1722311841 LPYPRRITFNFSRQ-UHFFFAOYSA-N 449.002 4.902 30 10 IJEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCCc2sccc2C1 1722338427 IRWMOTPZFHZDQS-UHFFFAOYSA-N 436.581 4.684 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1oc(CCC)nc1C 1722354879 BDGJFFFYRMORNM-UHFFFAOYSA-N 435.572 4.521 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1CCCCO1 1722414914 FWTNHEXOUKSBOV-QFIPXVFZSA-N 438.616 4.963 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCc1nccs1 1722499640 KSBVOCKNMNDMNC-UHFFFAOYSA-N 438.601 4.639 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1722501403 PLTXFOBVCUMKOV-CWFSZBLJSA-N 434.943 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722512424 CIXFEXXSEHGVOP-MRXNPFEDSA-N 441.929 4.885 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1722533092 HGTRAVJRRCOCGV-UHFFFAOYSA-N 448.615 4.516 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1722603576 YFZFWJOQABEUKC-UHFFFAOYSA-N 433.482 4.686 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](NC(C)=O)C1 1722611167 WHKXPLSIMQDNQL-MRXNPFEDSA-N 444.004 4.884 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722635351 WZYURUAKWVSCGY-JKSUJKDBSA-N 441.576 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1cc(C)ccc1OC 1722664009 NQENWBJPHXHYTG-HXUWFJFHSA-N 438.597 4.596 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)C1CCN(CCC)CC1 1722707314 MFBUHSPSALNTMS-UHFFFAOYSA-N 439.648 4.790 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1722742860 JNUTVAQCJWFGLF-LJQANCHMSA-N 428.646 4.864 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)C[C@@H](C)C#N)n3CCCN3CCCCC3)cc2C1 1722861894 DQFJTVKJSPQIJV-OALUTQOASA-N 440.661 4.603 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1scnc1C 1740558630 UKGFPAHFJCLPEY-GOSISDBHSA-N 437.613 4.754 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(OC)C1 1740595488 FNARGZRIBHLHBO-NRFANRHFSA-N 437.371 4.583 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCC1(F)CCC1 1740650240 UBBSHOWFWYUYEC-UHFFFAOYSA-N 435.366 4.514 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1740833646 VDCUDTKAWPYDQU-ICSRJNTNSA-N 443.636 4.984 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(Br)s2)CC1 1740837396 LLOJRQGVROXEJX-UHFFFAOYSA-N 444.402 4.809 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1740877122 YSFSXRHJNCYMQN-WOJBJXKFSA-N 434.943 4.856 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C(C)C)C1 1740880938 RPCQOICXIPGXGM-RBUKOAKNSA-N 449.665 4.894 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1sccc1C 1740917433 SDZYRYJVPMHOMD-XMMPIXPASA-N 438.597 4.541 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1sccc1C 1740919960 YIPMCAZPAXBZMK-UNMCSNQZSA-N 438.597 4.613 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(-n2cccn2)cc1 1740928651 PTPVEUNZFDSHAB-UHFFFAOYSA-N 445.958 4.600 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H]2CC[C@@H](SCC)C2)cc1 1740967238 AJYYDCXZCNPCRV-KCZVDYSFSA-N 442.629 4.506 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1748753797 VIRHRSFXUUWEDK-NHCUHLMSSA-N 426.992 4.720 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@H](F)C1 1749058411 HRNMNLOIGBGZGU-CKFHNAJUSA-N 437.382 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)CCC 1749059136 XBZYGHWZCCNIPN-UOKFIYJESA-N 426.630 4.675 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC(C)(C)OCC 1749061074 JVOPLINZJRTFBX-OAQYLSRUSA-N 431.378 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1CC 1749118633 HTDOTFCTQSOYFA-DBQGFPOUSA-N 428.552 4.917 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1749213531 MJRIBMBUQUNTLA-JPYJTQIMSA-N 443.979 4.794 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2OCCCOC)CC1 1749309895 QXHLVGLKGASWKV-UHFFFAOYSA-N 438.616 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1ccccc1CC 1749358878 RKCYEGKXUIGBBC-UHFFFAOYSA-N 432.572 4.580 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@H]1CCO[C@@H](C)C1 1749475331 BSMRVUVTPOZUAS-HOTGVXAUSA-N 449.393 4.544 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCCC1(C)C)C1CC1 1749510323 DXGYTAZKMOITRQ-JOCHJYFZSA-N 445.405 4.804 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1csc(-c2ccco2)n1 1750062680 HUJPNAJRGYTPHS-AWEZNQCLSA-N 438.944 4.959 30 10 IJEE CS[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1750251096 AHJZZTTXPWMAEM-HXUWFJFHSA-N 429.609 4.916 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1C[C@@H](C)O[C@H](C)C1 1760165211 MCXRQYKINKHJIQ-WOJBJXKFSA-N 431.584 4.626 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1nc(C(C)(C)C)cs1 1760237887 ZCEYZQIRWBXRAF-UHFFFAOYSA-N 437.613 4.736 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1ccc(OCC2CC2)nc1 1760240357 PBOZECOPJUYTMY-UHFFFAOYSA-N 447.558 4.587 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C(C)C)C1 1760275651 DGBRQIBMFRCBRB-QZTJIDSGSA-N 428.671 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)CCC(C)C 1760291311 JXQCNROACUKRAG-RPWUZVMVSA-N 445.007 4.786 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1nc(C)cs1 1760295288 BVWVBCGGZLGWHF-NPMXOYFQSA-N 441.551 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(CC)C1 1760318964 JRSGWLRSAARMRA-WSUBETFTSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC=CCO1 1760331664 WIMVSHYGRDFTBK-INIZCTEOSA-N 435.341 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760385532 SOKYJZXKMLQMOP-IERDGZPVSA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCc3ccccc32)CC1 1760403859 IXSJSXTZSOOCHM-OAQYLSRUSA-N 435.616 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760410153 VGDVMLOGVHOUOR-HXUWFJFHSA-N 440.979 4.512 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccco1 1760432420 LPIQFTRKQUDYDM-SFHVURJKSA-N 438.528 4.872 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCCS1 1760477795 LBZKFRWTXQAXCB-OAQYLSRUSA-N 435.597 4.827 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCCC2)nc1 1760491312 BHERQOHARGDRJE-UHFFFAOYSA-N 434.975 4.820 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCSC1 1760498493 UFWLKNFJCUEHGO-IBGZPJMESA-N 438.597 4.925 30 10 IJEE Cc1nc(C)c(CCn2c(CC3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1762248877 AZENXBWHJHUWQK-UHFFFAOYSA-N 434.613 4.835 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](F)(C#N)C1 1765081992 ASAFWAZEICOWCC-ZDPZECHZSA-N 433.478 4.815 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1772555073 IGOPQFOHVGHSIN-HXUWFJFHSA-N 447.574 4.925 30 10 IJEE COc1cc2cc(C#N)c(SCC(=O)N(Cc3ccccc3)C(C)C)nc2cc1OC 1858202939 ABPJUDSEDKRIAS-UHFFFAOYSA-N 435.549 4.653 30 10 IJEE COc1cccc(CCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)c1 1859489150 BZXRDFBNFRHUHU-UHFFFAOYSA-N 439.519 4.797 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862412092 WNJZMHIQANVDKC-NRFANRHFSA-N 427.447 4.972 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1 1862441821 DBNHJUQHORFLEF-OAQYLSRUSA-N 443.927 4.831 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862564440 ANNYNJABAWJBRA-DEOSSOPVSA-N 447.579 4.810 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc2cc[nH]c2c1 1862629536 YBDGRIUILIHSPX-JOCHJYFZSA-N 432.476 4.521 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1F 1862638806 KPWGQSXDYCCOOO-CMJOXMDJSA-N 447.462 4.879 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862727826 NBGOWUNFXBLCGZ-JOCHJYFZSA-N 428.444 4.860 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862729087 QBSQUTPEJUDMGK-QHCPKHFHSA-N 441.483 4.738 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(O)c1 1862735531 MYFIZOZUFXABTN-QRQCRPRQSA-N 444.443 4.640 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2C)=C(c2ccc(F)cc2)C1=O 1863152693 XRIVXNRBWUJMLM-UHFFFAOYSA-N 429.289 4.583 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccncc3)C2)nc(-c2ccccc2Cl)n1 1869245011 ZAWREFOJWZEPEV-QFIPXVFZSA-N 447.970 4.948 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCC(N(C)C)CC2)nn1-c1ccc(C)cc1 1870038513 GXXJLNYQDJKRTE-UHFFFAOYSA-N 440.636 4.795 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)/C=C/c1cccc(Cl)c1 1870107594 PQSXCCQHXPDEAJ-QPJJXVBHSA-N 432.698 4.810 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CSc2ccccn2)cc1=O 1870251705 QZEVRNYCJUKROQ-UHFFFAOYSA-N 426.586 4.851 30 10 IJEE C=CCn1cc(OCCCCCC)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1 1870673905 ASDNHIDKBCXDBV-UHFFFAOYSA-N 444.019 4.969 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)o1 1871436088 MBAQRNVAFBIVTN-BDQMVGTNSA-N 428.444 4.790 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871445836 PNZDAOUQQFIVFE-UUYOSTAYSA-N 433.891 4.960 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871908037 QUALYGYXWBSCKU-QFIPXVFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872314964 IEZPKLPNYZYBHW-HRAATJIYSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 1872365887 CSNBTEZISOGUQI-OAQYLSRUSA-N 436.524 4.585 30 10 IJEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(C)=O 1872770194 MTXPGFLERRLFCU-IUYMFKLXSA-N 432.501 4.942 30 10 IJEE N#Cc1cccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3ccncc3)C2=O)c1 1873334117 NSPQMYWWNHHZIB-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE Cn1c(/C=N/n2c(SCc3ccc(C(C)(C)C)cc3)nncc2=O)cc2ccccc21 1873495559 VHPJLQDQMVRRSY-VULFUBBASA-N 431.565 4.602 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874267673 JQIXEFWQJSXRTB-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE Oc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCCc2ccccc2)c1 1874346636 YMRMLLDWOLABDD-LGUFXXKBSA-N 444.560 4.822 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1F 1874597501 QHSXEYODGGTDJZ-YLZCUGDYSA-N 433.479 4.987 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Cl)NCc1ccco1 1874611471 KTCVJEQWEBNFCF-XVNBXDOJSA-N 431.822 4.803 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C)O[C@H](C)C1 1874640099 BBHOBBJLGWRTAX-YOSAUDMPSA-N 441.616 4.582 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875122385 LLVRLQKYDAPCKB-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cnc(C)cn1 1875194002 IUDIMSLUPDLOHA-QPJJXVBHSA-N 438.867 4.571 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)O[C@H](C)C1)n2C 1875196828 DPOSIHRPWBPDKD-RTBURBONSA-N 429.609 4.770 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(Br)ccc3F)cc21 1891252484 VIZKCJYRACLVHY-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 1891670609 GAXIGZNDIAHXHW-OAQYLSRUSA-N 430.548 4.652 30 10 IJEE C=CCC1(Oc2cc(F)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 1903011785 BLRAIVSXYKZRQR-UHFFFAOYSA-N 429.330 4.895 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](C[C@@H]1CCCO1)NC(=O)OC(C)(C)C 1926782674 RWEQTRFRXLYJDW-ZRBLBEILSA-N 432.605 4.590 30 10 IJEE COC(=O)c1ccccc1-c1ccc(C=CC(=O)c2ccc(N3CCOCC3)c(F)c2)o1 2040968986 DWYADEABENTYHR-UHFFFAOYSA-N 435.451 4.605 30 10 IJEE Cc1ccccc1OC(=NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 2053508865 JDJBNSKFMQJWSH-UHFFFAOYSA-N 430.323 4.972 30 10 IJEE CN(C)Cc1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079173081 JGZSLIVJWBBZLV-UHFFFAOYSA-N 448.180 4.932 30 10 IJEE N#Cc1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1I 2079185514 UVUPEGQOWFUSQE-UHFFFAOYSA-N 449.067 4.525 30 10 IJEE Cc1cc(O)c([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079970061 NAYNXZRPJPRNEM-IBGZPJMESA-N 447.320 4.949 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1c1c(C2CCCCC2)nn2c(O)c(C#N)cnc12 2081456479 FBGSJKJPJATNLO-KRWDZBQOSA-N 425.533 4.816 30 10 IJEE CN(CCCCCCNC(=O)OC(C)(C)C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2106599563 HVEZWEQVYDVASG-UHFFFAOYSA-N 446.441 4.503 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCNc2cc(Br)cc(F)c2C#N)C1 2107451541 POCSMXWVHZCVNH-OCCSQVGLSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cccc(F)c1Br 2124444273 BQVZCCOAJXPIGW-CQSZACIVSA-N 428.302 4.504 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 2145540112 AHLGAPDOUHXJTO-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE C=C(Br)Cn1c(SCC(=O)O)nc2cc(Br)c(Cl)cc21 2159871915 OBMMNACFPVUNOO-UHFFFAOYSA-N 440.544 4.538 30 10 IJEE N#Cc1oc2ccccc2c1Oc1ncc(I)cc1Br 2189901055 NKNBLOJNHRVYAO-UHFFFAOYSA-N 441.022 4.859 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CCC[C@@](Oc3cc(Br)cnc3C#N)(C2)C1 2198832492 SQUVBBVKPMKQEZ-WAWZGNHOSA-N 436.350 4.711 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@@H](O)CC#C[Si](C)(C)C 2229106540 WKJYIQAOHJQDMM-ROUUACIJSA-N 440.454 4.517 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234726584 YBVCWADQNIEKNI-WMPKNSHKSA-N 446.444 4.533 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)CC1CC1 2235724015 FTEOJFHQJPQTFD-QUCCMNQESA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC[C@H]1CCCN1C(=O)OC(C)(C)C 2235734353 WMSRSOAXVTWBRG-RTBURBONSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2235739860 KRBZNBSXCMVGAG-OJAHFUOMSA-N 434.374 4.730 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2243384855 XQLHTGFXOCAZSW-UHFFFAOYSA-N 431.794 4.919 30 10 IJEE C#CC1(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CC(C)C1 2244946108 XWGBCXRUOYKZAU-FTOFWICZSA-N 444.575 4.858 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2254753616 BFUIRZKYHFKORC-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CC1(C)OB(c2cccc(F)c2C(=O)N(Cc2ccccc2)Cc2ccco2)OC1(C)C 2266983267 NVAYIANKENUQAR-UHFFFAOYSA-N 435.304 4.561 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2275808065 QWKOAMCHPOYIHV-UIOOFZCWSA-N 449.591 4.922 30 10 IJEE CC(C)c1ccc([C@@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)cc1 2296098990 NVXOZJGJEZJESP-HSZRJFAPSA-N 432.520 4.540 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCCC(=O)Nc2cc(Br)ccc2C#N)C1 2296143849 WRRJAPCCYSDMEW-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2296291896 SXUYHEJXZKTUHV-YZGWKJHDSA-N 435.406 4.862 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 2314429992 TXCROEUHUBQGJE-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(O)c1 2314478328 RVWLVZKDMRKYRT-RUZDIDTESA-N 425.484 4.613 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C(=O)OC)cc2)cc1 2318571950 WRJVLNXFJWGCFW-UHFFFAOYSA-N 438.553 4.727 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc3c(c1)OCO3)C2=O 2322687860 JWSUIDXFHLPZSC-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)cc1 2322781858 IGCVCDVAGXAIRG-UHFFFAOYSA-N 432.403 4.756 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)c(OC)c1 2322788532 NYHCAEFNHSYLCV-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccccc2OCC(=O)OCC(C)C)c(OCC)c1 2322907756 ULPOOMBKDZPQHS-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1C 2323693433 QUMJNCQPSREGEP-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2324035355 MNKMTVIEMBMHOX-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE Cc1cccc(CN2CCN(Cc3c(O)cc(C)c4c3OC(=Cc3ccco3)C4=O)CC2)c1 2324196899 XPDLKKKQJYUHII-UHFFFAOYSA-N 444.531 4.536 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)c(OC)c1 2324478263 BAXUDYMVIFVVHI-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)OCCOc4ccccc4)ccc3C2=O)cc1 2325744742 ZCVDSHOYXRNWIC-UHFFFAOYSA-N 430.456 4.612 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1c(F)cccc1Cl 2328499801 YSAWJRSCRNVHLD-UHFFFAOYSA-N 431.880 4.730 30 10 IJEE Cn1cccc1C=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1 2328744572 TXSWXTZPGRHMBL-UHFFFAOYSA-N 431.565 4.803 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccs1 2329135181 BJOXVFKPPMELLR-UHFFFAOYSA-N 449.001 4.757 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccnc2)c1 2330625495 SQKAPAFHNGCIAA-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 2331154703 MDPSEEAIHXTLHL-UHFFFAOYSA-N 440.834 4.823 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 2331216493 FKZFDOHWIIIDJC-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1c[nH]c2ccccc12 2331646893 ZYBHUDYWOZLDGH-UHFFFAOYSA-N 446.580 4.942 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCc2ccc(C(=O)OC)o2)nnc1C(C)C 2331698020 IZULCDYCBIPBSY-UHFFFAOYSA-N 442.541 4.744 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C=Cc3ccccc3Cl)cc2)CC1 2332188971 STIUHONSGKWEBJ-UHFFFAOYSA-N 446.942 4.681 30 10 IJEE C[C@@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339582805 SHBZPGZWHBFQEV-FEFOKTNTSA-N 444.381 4.751 30 10 IJEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339603316 YCVPJIXRHOKZIL-BUHFOSPRSA-N 445.413 4.808 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364754178 SCNYZKKZOOAILX-HKUYNNGSSA-N 433.390 4.568 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(F)c2)Nc2cc(C)cc(C)c2)c1C 32973375 YFDFOVGGXQJQRK-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2OC)ccc1O 33321112 GOQWCUPDBBHCNV-CMJOXMDJSA-N 432.476 4.664 30 10 IJEE C=CCOC(=O)C1=C(C)N(Cc2cccc(F)c2F)C(=O)C[C@@H]1c1ccc(F)cc1F 37576245 VFYCWUNDBFBYMD-QGZVFWFLSA-N 433.401 4.762 30 10 IJEE C=CCc1ccc(OCCCn2c([C@H](C)NC(=O)C3CC3)nc3ccccc32)c(OC)c1 40190544 AMQXNJAAEJPBDD-SFHVURJKSA-N 433.552 4.830 30 10 IJEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N1CCCC[C@H]1C 59811052 AVSBSEFOUVYDDG-GOSISDBHSA-N 435.597 4.723 30 10 IJEE CSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)s1 102592404 QDEZFSRFVPQGJB-VZHUHSAUSA-N 443.937 4.540 30 10 IJEE CC/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1 103886015 RJDQGDMFGQZOSN-BWORXHKJSA-N 428.385 4.975 30 10 IJEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1[N+](=O)[O-] 169942901 PTVOXWXTPRLKSA-NHDPSOOVSA-N 428.470 4.580 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccncc1 169947569 RXIBRXKYKJNXDM-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2)cc1 170029122 VQULRORGBIFVBQ-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 170056978 BQEFAKUAMQTNJM-NRFANRHFSA-N 443.927 4.660 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(C(C)C)cc1 170066304 QUOJFDPQXPWMCV-CVDCTZTESA-N 435.520 4.576 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2F)cc1C 170072169 VTRXOLRSCZIUPJ-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 170130068 QKIVMOIZRIGUKE-VOIUYBSRSA-N 446.547 4.597 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(O)c(OCC)c1 170149270 KUVCSJZQLRCEBB-JOCHJYFZSA-N 439.508 4.566 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccccn1 170181008 HZHGTRBTDSGROM-HXUWFJFHSA-N 428.916 4.902 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)ccc1Cl 170196978 RIRKMTVNKPMALV-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(O)c1 170260384 JHFIDNJOAYVFHJ-NFBKMPQASA-N 449.547 4.755 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccccc1C 170270086 XQFSUMAKLAQOPY-JOCHJYFZSA-N 437.536 4.526 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccco1 170284103 ZRBRQWPIRQGLRB-OAQYLSRUSA-N 435.863 4.959 30 10 IJEE N#C[C@@H](C(=O)c1cc(I)ccc1Br)c1ccc(F)cc1 236187765 QZIANMXXVIYZEM-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE N#Cc1ccsc1C(=O)Nc1ccc(CN(C(=O)c2sccc2C#N)C2CC2)cc1 303610583 YWDPSQVKYKSBDI-UHFFFAOYSA-N 432.530 4.610 30 10 IJEE N#CC1(C(=O)Nc2ccc(I)cc2Br)CCCCCC1 312862275 XSSZZRDSBHWILT-UHFFFAOYSA-N 447.114 4.856 30 10 IJEE CCCCCCCCCn1cnc(I)c1I 390404049 XTMKYUMKSMGECB-UHFFFAOYSA-N 446.114 4.843 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCC 406917062 QUASWWLLBIVOQA-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 444973966 JXHBRRDMVCTRPR-UHFFFAOYSA-N 435.421 4.887 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 500524173 LFXYLNRBSJOKAS-VXKWHMMOSA-N 429.996 4.651 30 10 IJEE O=[N+]([O-])c1cc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)ccc1Cl 526816719 CGJOCQCSMMQKMV-YXSASFKJSA-N 426.260 4.807 30 10 IJEE C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(OC)ccc1OC 586250220 YLKJQTRFIYNHKV-UHFFFAOYSA-N 439.533 4.664 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccnc1 623014743 FGXZBAAXXXEXQW-CABCVRRESA-N 427.961 4.538 30 10 IJEE COc1c([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)nn1C 698499045 XTSKKTQWHHCCEJ-HNNXBMFYSA-N 435.322 4.506 30 10 IJEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccccc1OC 716135787 QJNLLPGEAPUBQX-XMMPIXPASA-N 445.560 4.976 30 10 IJEE Cc1cc(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(C#N)cc1[N+](=O)[O-] 721066839 NOVDIZKMCFCFEZ-UHFFFAOYSA-N 442.519 4.658 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)c1 728508057 ARUAWQMTGPCAGU-UHFFFAOYSA-N 432.261 4.664 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C(C)=C/c1ccccc1Cl 756286118 DUUVCURCLCYYHV-IWLLYFRBSA-N 426.900 4.630 30 10 IJEE CCn1cc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C(C)(C)C)cc2)cn1 762441015 RNAZORJGFXJALU-UHFFFAOYSA-O 432.573 4.683 30 10 IJEE CC(C)(C)c1ccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)o2)cc1 787062447 SVMONVVKMDXCIR-HXUWFJFHSA-N 445.475 4.791 30 10 IJEE C#CCN(C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)C1CCCC1 788869946 AOPPBJBXHYKPPX-OAQYLSRUSA-N 426.358 4.715 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N[C@H](C#N)c1ccc(Cl)cc1)C2 796226664 OEMBWZRNFWDOHK-CNJPOEJWSA-N 431.964 4.740 30 10 IJEE COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)C(=Nc2cc(Cl)cc(Cl)c2)S1 1084393603 JEXXJCRWQDZMFA-INIZCTEOSA-N 438.336 4.592 30 10 IJEE C#CCN(C(=O)C[C@H]1CCc2ccccc2C1)[C@@H]1CCOc2ccc(Br)cc21 1126228967 LSPHUFBAPYWSCQ-HTAPYJJXSA-N 438.365 4.930 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1128265670 SKCYLAIUBNMPBH-UHFFFAOYSA-N 445.441 4.657 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1)C(C)(C)C 1129616423 QKPMDZAKINGDTP-LJQANCHMSA-N 446.519 4.797 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1NC(=O)c1cccs1 1136565048 DXMWMPVKMAHPRY-UHFFFAOYSA-N 432.505 4.620 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1138257733 WCTYTOCKGHXKMY-QFIPXVFZSA-N 449.378 4.903 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 1141853296 JSVDBUSLRNBVPZ-INIZCTEOSA-N 445.000 4.573 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C12CCC2 1143911295 FZUGLGHPDPBYDC-VXKWHMMOSA-N 446.551 4.868 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 1147119758 SIZTWFBPJLMVPK-XLIONFOSSA-N 446.979 4.702 30 10 IJEE C=CCC(C)(C)CNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 1159427327 NDFGQVDGVXKKDF-UHFFFAOYSA-N 431.330 4.739 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3)C(=O)OC 1187947766 FOFMFQRBBYGATN-WMLDXEAASA-N 440.590 4.782 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ncc(Cc4cccc(F)c4)s3)CC2)c1 1197842805 BIARSYCODLDZSV-UHFFFAOYSA-N 449.555 4.531 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC(C)C)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1203481730 OQOBWNZRVUCKTB-UHFFFAOYSA-N 449.979 4.994 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC 1206232240 HLZIMHRPDYJZAN-AWEZNQCLSA-N 449.345 4.860 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC(C)C)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1214515685 REXGMSLQHBWDJY-UHFFFAOYSA-N 449.979 4.994 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1cc(Br)ccc1OC 1221993248 XUNOPNLREPIKMC-LJQANCHMSA-N 443.341 4.516 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cccc(-n2ccc(C(=O)OCC)n2)c1)c1ccccc1 1224521043 AKGUXLSHAWFSAK-QFIPXVFZSA-N 432.524 4.556 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1234194035 UDGICUSEYRLQQO-HXUWFJFHSA-N 445.604 4.819 30 10 IJEE C#C[C@H](NC(=O)c1nc(Br)ccc1Br)c1ccc(Cl)cc1F 1275497683 HNDJFSDOCACBQO-LBPRGKRZSA-N 446.501 4.503 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1286357514 WOMCASCATZPGCB-HSZRJFAPSA-N 448.567 4.739 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)CCC 1286536905 SYLPPSISWGPDPW-MRXNPFEDSA-N 443.393 4.912 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1286539975 HIYXSXFGJZXUFH-INIZCTEOSA-N 439.398 4.639 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(F)F)C1 1286566666 SMTFPRNYPUFFPQ-URVUXULASA-N 430.543 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1286567548 RBCPHBAKBKJZCO-LEEZEASISA-N 449.599 4.582 30 10 IJEE C=C(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1)c1ccccc1 1286618621 FHYPEPUHCXPXCM-NRFANRHFSA-N 437.588 4.910 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@](C)(C#N)C1 1286621418 HTHGPLRWJHXGAX-GOSISDBHSA-N 438.732 4.729 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1286677902 LZCAKJTVIDCEGP-GGAORHGYSA-N 430.600 4.873 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286695244 SEIKJYBIFRGCER-NRFANRHFSA-N 449.559 4.732 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286701868 AZHLHHAOPPPPLD-WMLDXEAASA-N 428.886 4.645 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H]1C 1286748718 ZGGKCPKPUHXBGO-ACJLOTCBSA-N 430.325 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1CCc1ccccc1C(F)(F)F 1286760362 ZIUNHWZPAHDFAK-UHFFFAOYSA-N 427.474 4.704 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H](C)c1nccs1 1286772243 WKGIZCHHKRWLCC-CQSZACIVSA-N 432.391 4.898 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC=C(c2ccccc2)C1 1286775039 VVEMGMGYQLHTPL-UHFFFAOYSA-N 449.599 4.872 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)CC 1286837359 VZSNZZYUEAEGAX-MSOLQXFVSA-N 437.654 4.752 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1287317813 DBIDDRFUYZKDRN-OFNKIYASSA-N 442.007 4.713 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 1295897421 DRJZCLGEFDZYAZ-QGZVFWFLSA-N 431.533 4.587 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3c4ccccc4CC[C@@H]3C(C)C)ccc2c1=O 1296138038 HHBFYYFBFJRENI-XMSQKQJNSA-N 433.577 4.561 30 10 IJEE C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2F)cc1O)c1ccc(-c2cccc(C#N)c2)cc1 1296261934 GYHBPRDSGIYFQO-OAHLLOKOSA-N 444.441 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1sccc1C 1300285856 AOMJHEKNNTWRRH-AWEZNQCLSA-N 445.386 4.592 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1300650828 XZTXHNVASIMJIZ-XUZZJYLKSA-N 438.591 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCOC[C@@H]1OC 1300904715 FHOPBZCOIXDSRF-BJLQDIEVSA-N 444.645 4.585 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1300983981 UIXMKGPEOBWHGO-SFHVURJKSA-N 440.617 4.766 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301178580 PVYNPXXKSQEVMT-GOSISDBHSA-N 443.567 4.886 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1301434585 YQKGZLQKHUUHSG-CYBMUJFWSA-N 449.422 4.757 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2=CCCCC2)C1 1301544336 XAAJPMIYQLTOJA-SFHVURJKSA-N 446.393 4.708 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCC2(C)C)C1 1301547392 ZGJROJYTPZOXLA-QUCCMNQESA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2c(Br)ccc(F)c2C1 1307667701 XWRJBABAMMZNEV-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc2oc(O)nc2cc1F 1310945732 TUKAYWJBGDEFEF-UHFFFAOYSA-N 438.228 4.794 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)NCc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 1311832773 HVJGHGWVTZSGIT-UHFFFAOYSA-N 444.966 4.906 30 10 IJEE C=CCCC1(CNC(=O)NC[C@H](CO)Cc2ccc(C)c(Br)c2)CCCC1 1313005457 UQHYRPABKRZNOU-LJQANCHMSA-N 437.422 4.734 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(=O)OC)oc1C)c1ccc2c(c1)OCO2 1350354337 MBJYTSRSWIJISQ-UHFFFAOYSA-N 449.459 4.515 30 10 IJEE C#CCN(C(=O)c1cc2cccc(F)c2o1)[C@@H]1CCOc2ccc(Br)cc21 1353634046 HZCHAINNRBLOCX-QGZVFWFLSA-N 428.257 4.934 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H]3CCCN3Cc3ccccc32)s1 1354517262 CZCZYXFRPQLEQD-QGZVFWFLSA-N 434.030 4.850 30 10 IJEE COc1ccc(C[C@@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1OC 1358155615 GSQWBELNJPNZDB-YADARESESA-N 428.532 4.854 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1CCC(F)(F)CC1 1358997502 VPJQGHCNZKVSDS-UHFFFAOYSA-N 440.538 4.762 30 10 IJEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC(C)C)CC1 1359042714 QWUMKBOWXYQZLR-UHFFFAOYSA-N 449.643 4.645 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCO[C@H](C)C1 1359109877 SHHXWPPMFWGBFV-MOPGFXCFSA-N 428.577 4.570 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OCC(C)C)C1 1359118205 UWVBKDUUVPNNTL-MRXNPFEDSA-N 437.357 4.674 30 10 IJEE C=C(C)COCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1 1359137551 SMHQANMYTWQLOY-KRWDZBQOSA-N 434.878 4.711 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1359147309 BNNHJKUUQPJJMF-MRXNPFEDSA-N 449.958 4.578 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1359151867 FEYDGCGMNPOQNA-IBGZPJMESA-N 434.415 4.587 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1359205922 OJEGKZJHDNDZAS-IBGZPJMESA-N 438.494 4.598 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1359217164 PNCIYFGEDFRNBN-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359237291 RVRNDNGBDDDYJA-PMACEKPBSA-N 434.632 4.816 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@H]1N(C)CCCC1(C)C 1359255231 SAJKFQLWXAFTOU-HSZRJFAPSA-N 437.632 4.867 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1359339015 PQWWERRQBQXGLA-UHFFFAOYSA-N 433.021 4.915 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 1360369439 KMHKDKDKPPPKGU-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE C=CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1455516837 NKGXYWKXFHDBMM-FGTMMUONSA-N 426.479 4.508 30 10 IJEE N#Cc1c(SCC(=O)NCCc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CCC2 1458842200 FORIORZZZGSMAT-UHFFFAOYSA-N 437.952 4.806 30 10 IJEE O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@@H](O)c1ccc(C(F)(F)F)cc1 1464162266 FBPWDJUFTSTTGI-ZDUSSCGKSA-N 427.272 4.580 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCc1ccc(I)cc1 1470909240 IBDXBUYNNUZUDY-UHFFFAOYSA-N 434.321 4.622 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1[N+](=O)[O-] 1472934639 JIDLBHVAROYOGC-UHFFFAOYSA-N 441.900 4.769 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)n1 1476324279 CXJDFIPXBSPGHJ-IRLDBZIGSA-N 435.915 4.517 30 10 IJEE C=C[C@@H](COC)NC(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1477909305 SOSWRJZHPUMKGA-PXNSSMCTSA-N 447.373 4.979 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H]1CCC2(CCOCC2)CO1)c1ccc(C(F)(F)F)cc1 1478273386 WRVMSOMAOXVLTR-VQTJNVASSA-N 440.506 4.988 30 10 IJEE C=C(C)[C@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)c1ccc(F)c(F)c1 1478322832 OBRUIJCBDMJQFI-DEOSSOPVSA-N 443.538 4.599 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 1478965948 RIFHAZZWRUWARA-UXHICEINSA-N 430.593 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(OC)C1CC1 1507517773 JKJOWZZFBGRLGC-UPCLLVRISA-N 435.597 4.650 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(C(F)(F)F)CC1 1507558517 HHHMNVYVHHTAGZ-UHFFFAOYSA-N 440.473 4.633 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ncc(CC)s1 1507680255 AUIZSKGJFBJORY-INIZCTEOSA-N 439.654 4.853 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1507787431 DKWSQPROGOBXKJ-AUUYWEPGSA-N 431.378 4.735 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CC=CCC1 1507918389 DSGOEIXUFMJNHP-SFHVURJKSA-N 427.618 4.664 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 1507924885 VIBQBENILPNWFD-BVYCBKJFSA-N 439.604 4.686 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1507934627 HZMVTOGYSAXVSZ-WOJBJXKFSA-N 429.634 4.986 30 10 IJEE C=CCCCCn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507937410 POSRYQOPBAJOLX-OFVILXPXSA-N 442.579 4.808 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC1(O)CCCCCC1)C1CC1 1507988419 SBNYVOGWPVSXHI-UHFFFAOYSA-N 445.405 4.948 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(C)nc1)C1CC1 1507988748 QMPZBZPCGYYNEF-UHFFFAOYSA-N 438.373 4.923 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(F)cn1)C1CC1 1507996668 ZHMVORIERWEXDM-UHFFFAOYSA-N 429.952 4.961 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCC(F)(F)C1 1508024205 KEAGNEKECUEOEL-HXUWFJFHSA-N 425.527 4.954 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1512285221 FLUNPOGEKFTVDL-OLZOCXBDSA-N 432.475 4.575 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 1521914201 CBABSJMSKQXXHG-LJQANCHMSA-N 437.565 4.839 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1csc(Br)c1C 1523502036 CEGLGEYFWRFPMR-UHFFFAOYSA-N 425.300 4.562 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)cc1 1525685762 SBQOYVMEEIPPQW-UHFFFAOYSA-N 426.520 4.591 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1 1529458072 WUYMBMAJULCTKP-UHFFFAOYSA-N 432.402 4.625 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)ccc1Br 1536349528 ZMAZAGGFPQMOAQ-UHFFFAOYSA-N 425.095 4.626 30 10 IJEE C=C(C)[C@@H](CC(=O)OCc1ccc(I)c(C(F)(F)F)c1)OCC 1537266696 PBHFLQAABRDFDS-CQSZACIVSA-N 442.215 4.725 30 10 IJEE CC(C)(CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(C(F)(F)F)cc1 1537504649 FRPCLDRAWLDQRZ-MRXNPFEDSA-N 433.449 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OCC 1538985936 GCOUUXAQMKCIKL-AWEZNQCLSA-N 430.339 4.552 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCCC2)C1 1539049343 LXNAAUBASDQHAC-UHFFFAOYSA-N 443.389 4.661 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(OC)CCC(C)CC1 1539346127 BFQJTTWVFVNNJM-UHFFFAOYSA-N 431.584 4.857 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(C)C1CCCCC1 1539352111 QBOKVTJANHLDBI-UHFFFAOYSA-N 444.023 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)CCCC1 1539652235 PFDPQMYPLQUXKG-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCN(CC)C1 1539656055 SKKKOPMOTUFNEK-RTBURBONSA-N 427.662 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1539662226 QMCJWVORWZOVJJ-FGZHOGPDSA-N 447.631 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N1CCC[C@H](C)C1 1539674542 YWUCIZISVLEBIY-SFTDATJTSA-N 434.632 4.873 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1N(C)CCCC1(C)C 1539677436 CDZVAACSSYEZRB-JOCHJYFZSA-N 425.621 4.688 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@@H](C)C1 1539691413 ZHJATRDFCIULGE-LBPRGKRZSA-N 427.799 4.879 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC(C)(C)C1 1539736337 WGWCPBFZDZTLBC-UHFFFAOYSA-N 442.604 4.960 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1539840653 ZLTXXCIDUOSZKA-NZQKXSOJSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNc2ccccn2)CC1 1539855853 JULZHGJZYZQPIG-UHFFFAOYSA-N 432.572 4.528 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1539874469 NALZVEHMWNSYCK-HOJAQTOUSA-N 431.625 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1539884536 LZVZQHMMDLFMCC-XXBNENTESA-N 434.588 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1C[C@@H]1CCOC[C@@H]1OC 1540140907 WIECNACTBLVAKH-UGKGYDQZSA-N 438.597 4.559 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]2C(C)(C)C)c1 1540248260 QARBMWUCLBSVJE-OAQYLSRUSA-N 447.000 4.982 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 1540531621 RHQSEVXSUCQQPG-KRWDZBQOSA-N 435.952 4.655 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC(F)(F)F)C1 1540883873 GFPMVRWYKPCALO-HOTGVXAUSA-N 442.457 4.681 30 10 IJEE C=CC1(CC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CN(C(=O)OC(C)(C)C)C1 1556172146 PRZYOEDKPXJQTN-KRWDZBQOSA-N 438.490 4.835 30 10 IJEE C#C[C@@H](NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2)c1ccc(F)cc1 1556730121 GCPZIMYLRDSKIY-LJQANCHMSA-N 433.508 4.518 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C 1556967475 HTDROLZYWFECLP-INIZCTEOSA-N 439.350 4.646 30 10 IJEE C#CCCN(CCOC)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1557647550 MDIZJAGPUMJLBH-MNDPQUGUSA-N 449.532 4.634 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)c1ncnc2ccc(I)cc12 1559187892 HCNMTMKYFFEUHG-UHFFFAOYSA-N 447.324 4.595 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)N1CCc2ccccc21 1563849409 LBOCLLXUBQYSMX-INIZCTEOSA-N 446.364 4.737 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)[C@@H]1CCCO1 1564603928 USQFLTJDTNQZFD-RPBOFIJWSA-N 434.580 4.903 30 10 IJEE N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1583559154 GCYLOCRQHZJCKU-DGCLKSJQSA-N 425.325 4.808 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)[C@H]2OCCc3sccc32)s1 1584197727 ACYJXHWTTAXJKT-SJKOYZFVSA-N 429.032 4.719 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCCN1Cc1cccc(C)c1)c1ccc(Br)cc1 1584709299 ZNFMAPFIUKZALN-FGZHOGPDSA-N 425.370 4.603 30 10 IJEE CCSc1ccccc1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1585534015 GLKHWUWIQLGCSY-LJQANCHMSA-N 444.398 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1nc(C)c(C)s1 1587592533 CMDXJMAQQJVQBX-INIZCTEOSA-N 447.564 4.697 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H](SC)C(C)(C)C 1588558952 BYPGUDCKTBURII-UXHICEINSA-N 430.593 4.686 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1593611355 RYJWUXZWPSIWJO-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cc(C)cs1 1593736087 WQXXGTRHXMFVAJ-UHFFFAOYSA-N 448.596 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(C)C 1594484159 OEGJLPYPIKXTFE-UHFFFAOYSA-N 436.604 4.760 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1594591143 MGJQIGAYDYWFMZ-APWZRJJASA-N 433.394 4.925 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)c1 1594669852 BYWZXRRGUFRRAX-UHFFFAOYSA-N 447.922 4.869 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1594698802 XFWDKLUMVOVNAU-IBGZPJMESA-N 445.901 4.816 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(c2ncc(C)s2)CC1 1594744674 XNROAMQRWKLENW-UHFFFAOYSA-N 437.613 4.993 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1595196611 YNDCCEFBJDOZJO-SFTDATJTSA-N 432.616 4.752 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1595282849 KRHORJQYYMADLG-NTKDMRAZSA-N 446.039 4.748 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H](C)c1nccs1 1595649695 TWONIMLURAUNOJ-KRWDZBQOSA-N 434.569 4.583 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCSC2)C1 1595700697 RGEWVWYDWBODEJ-WBVHZDCISA-N 436.984 4.662 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCc1csc(C(C)(C)C)n1 1596830375 ABQWAFNGBFBCSN-MRXNPFEDSA-N 440.592 4.601 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)C(=O)OCC 1598350472 PCYBDUZNJLLNKU-IBGZPJMESA-N 437.471 4.534 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CN(CC)CC)C2)s1 1613802526 GYYLECOCJAOHSA-HXUWFJFHSA-N 448.640 4.657 30 10 IJEE CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N/c1ccc(C(=O)O)cc1 1614236681 GPJYCYRTWDSHDL-XKOOYEHJSA-N 431.311 4.771 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2cccs2)C1 1620347796 CTLGHGXVEUIWBH-HXUWFJFHSA-N 447.992 4.970 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 1623033685 JMFMECWQSWEVBE-FNLKRUPLSA-N 429.561 4.941 30 10 IJEE C[C@H](NC(C)(C)CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 1628043304 GXHWRHYNJGDIBV-FQEVSTJZSA-N 427.548 4.996 30 10 IJEE C#CCCNC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1633508809 QFHNPCNJGKXKHW-SANMLTNESA-N 438.527 4.796 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)s1 1636422356 KGBLETHVIGWOOA-HNNXBMFYSA-N 446.926 4.750 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1641503411 RXWOTQNXCPLMJW-YADHBBJMSA-N 440.584 4.588 30 10 IJEE C=CC[C@@]1(C(=O)NCC(=O)c2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1643556209 ASPBEFNTQCMDEL-NRFANRHFSA-N 441.355 4.638 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2cc(Cl)cc(Cl)c2c1=O 1643961556 AZTDBJCSGBZGIN-LBPRGKRZSA-N 447.347 4.594 30 10 IJEE C#CCN(C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H]1CCc2ccccc21 1644410553 CBFIKHPWSJVDLJ-KAYWLYCHSA-N 444.600 4.637 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cscc1Br 1644654832 KTVQQPWUOUJUPG-HNNXBMFYSA-N 431.396 4.719 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCN(c3cccc(Br)c3)C2)ccc1OC 1651005824 HAIZOVQWEBMGAA-LJQANCHMSA-N 431.374 4.781 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 1651015126 WLCQSZSZZNMSCV-UHFFFAOYSA-N 444.962 4.792 30 10 IJEE N#Cc1c(F)cccc1N1CCN(Cc2cc(F)ccc2Oc2cncc(Cl)c2)CC1 1651974564 DMAIFZRZOXSLSF-UHFFFAOYSA-N 440.881 4.999 30 10 IJEE C#CCOCCSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 1652458905 UDCAJRAHOBEUAC-UHFFFAOYSA-N 438.603 4.911 30 10 IJEE C#CCN(CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCc2ccccc21 1653214225 CLKLEASPSRQKEW-XTEPFMGCSA-N 426.535 4.996 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1657580290 VGSLLAMGARHZRM-FPOVZHCZSA-N 441.413 4.851 30 10 IJEE CC#CC[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 1657605560 WJGAOYOYMOIBBK-XMMPIXPASA-N 425.532 4.565 30 10 IJEE CCC1(CC)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCS1 1658155118 GFBXVHUEKFVYKB-UHFFFAOYSA-N 428.577 4.651 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CCO)c1ccc(Cl)cc1 1662577211 KWADIXNYGLYQDQ-INIZCTEOSA-N 439.737 4.913 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)c1 1665184641 RMYXLCXQVVEQQP-GOSISDBHSA-N 441.959 4.825 30 10 IJEE CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCN(Cc2ccccc2)C1 1665660380 GNMSGXVCNQUPAB-QFIPXVFZSA-N 445.592 4.734 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1 1668126521 VYCPFKSYEIEAPU-UHFFFAOYSA-N 429.369 4.643 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1)c1ccc(F)c(F)c1 1671956718 IPDKTSNNPKTLKG-GOSISDBHSA-N 434.487 4.677 30 10 IJEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1673265035 AVJUVSXJQJTVGU-AEFFLSMTSA-N 436.512 4.720 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(-c2ccc(F)cc2F)c1C)c1ccc(Br)cc1 1678924661 PBACAHDODKTTIU-QGZVFWFLSA-N 445.267 4.717 30 10 IJEE Cc1cccc(C(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c2cccc(C)c2)c1 1679875090 DVRIZZSNPZFQJK-UHFFFAOYSA-N 442.538 4.935 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(c2nccc3sccc23)CC1)c1ccc(F)c(F)c1 1680281217 WAMKFEOMSLHONT-FQEVSTJZSA-N 428.508 4.724 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccccc1 1682352722 SQLJHEXCRFLJMI-RTBURBONSA-N 430.289 4.512 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1683050810 CGCQIARZDKJGSY-BHDDXSALSA-N 443.588 4.742 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Oc2cccc(F)c2)CC1)c1ccc(Br)cc1 1683512265 JCPUDQSVMWHANG-FQEVSTJZSA-N 431.305 4.516 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 1686700637 HWWIIHFCTQRDEH-ARMFNRFLSA-N 430.596 4.770 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1CCCC[C@@H]1C 1689846437 JTAAHQDOICJLHZ-SFTDATJTSA-N 432.616 4.549 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCc2sccc2C1 1690337174 GLZVJFULPOXBBN-UHFFFAOYSA-N 430.961 4.729 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](COC(C)C)C1 1690455285 GQEHKUCWMRUVPR-GOSISDBHSA-N 436.959 4.724 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1690539858 OZGIEHIQIKLNJN-GHTZIAJQSA-N 439.560 4.849 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCN1CCC[C@H](C)C1 1690559674 JBELQFUCXOIURK-NRFANRHFSA-N 434.632 4.663 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cccc(F)c1 1690586635 QBGUXWOZFUQIFZ-UHFFFAOYSA-N 444.352 4.986 30 10 IJEE CC(C)C(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1691010173 CYIHRESPQSZAIV-ROUUACIJSA-N 432.613 4.628 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1693247787 FMOQRZGWPPUYNM-LIKDZFNVSA-N 434.632 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCc1csc(C(C)C)n1 1705503495 XKNVUASECOHCHP-LJQANCHMSA-N 437.613 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc(F)cc1 1705506452 YUQQWOFVUYCECV-IOMROCGXSA-N 426.580 4.772 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H](C)N1CCCCC1 1705604457 MOEYFCHMHJHXBA-PMACEKPBSA-N 444.023 4.796 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1705726836 JEZDJNVVQNFASR-FQEVSTJZSA-N 445.405 4.927 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1C1CCC1 1705731101 QZXGXPDKFRVPHS-WIYYLYMNSA-N 428.552 4.919 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](SC)C1 1705740447 LQCMPCSOIPWLRT-XUVXKRRUSA-N 436.666 4.511 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NC(C)C)CC1 1705801973 XPAICLCCGGCDCN-UHFFFAOYSA-N 433.604 4.658 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)c1ccccc1 1705841617 ALFIRWFYAIGLII-FPOVZHCZSA-N 439.604 4.819 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(COC)CCCCC1)C1CC1 1705856249 LXWMFPYNQCJTJT-NHCUHLMSSA-N 430.637 4.948 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C1CCCCC1)N(C)C 1722281761 VQMXOABBKMBTKM-NBGIEHNGSA-N 444.627 4.770 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cn(CCCC)nc1C 1722301670 DICQTGVSIQSABV-IBGZPJMESA-N 436.629 4.690 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1C1CCC1 1722325413 KMBDNCJXPQLZDM-HXUWFJFHSA-N 443.389 4.899 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCN(C(C)C)C(C)C 1722421266 LNJPVKFXQQAJCX-UHFFFAOYSA-N 425.596 4.833 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CCC(F)(F)F)CC1CC1 1722506932 NQWZDVIWXDQRSP-AZUAARDMSA-N 449.521 4.799 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCN(CCC(C)C)CC2)CC1 1722577762 PTHCBGJPTPVVEK-HSZRJFAPSA-N 429.653 4.680 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722580326 HWAFFYFWVFERLL-YUMYIRISSA-N 428.621 4.580 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722610414 PYZYIKMLYRSRMT-OFNKIYASSA-N 449.599 4.559 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1722623672 WWNRKVNKOZPEFK-UHFFFAOYSA-N 442.629 4.967 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@@H]2CC)C1 1722714288 KDEZTBZHSSGAGY-QKNQBKEWSA-N 440.588 4.570 30 10 IJEE C[C@H]1C[C@@H](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CCO1 1726469849 HXPYQKACDZJKAP-VXSCBNMQSA-N 443.636 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(CCC(C)C)CC1 1740541525 AWDHYTUVUPZAFD-SFHVURJKSA-N 446.014 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC1CCCC1 1740547584 YERMNCIURXWOFW-IBGZPJMESA-N 446.599 4.664 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(CCOC)CCCCC1 1740555699 ALIAWWSAEGJJNE-LJQANCHMSA-N 445.007 4.955 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1740575635 UBWSVWQXZHQAQZ-UHFFFAOYSA-N 433.625 4.677 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 1740580284 UBEAURKDCUMCMG-UHFFFAOYSA-N 449.780 4.803 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1740652290 WXMYXQKRHAHSDG-VWNXMTODSA-N 443.620 4.553 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OC)CCCCC1 1740664357 NIVMUTYKAWCEQS-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1740767020 MBGDERRRMBIGNS-VGOFRKELSA-N 446.979 4.802 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCn2ccnc2C)CC1 1740827803 LNDVCVVWSZANNG-UHFFFAOYSA-N 434.588 4.650 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1740829284 RBORCWLAARMCGI-OALUTQOASA-N 430.980 4.872 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC)Cc1ccc(F)cc1F 1740847713 RFGDXYAQDNELAI-IBGZPJMESA-N 431.531 4.526 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1740876485 SYCQSAZPHYQBJA-PMOLBWCYSA-N 429.609 4.594 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@@](C)(CC)O1 1740920999 IQCDNBBZABQMGB-DNRQZRRGSA-N 442.579 4.852 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740944964 UUFNPUHUYSRVAX-GFCCVEGCSA-N 434.293 4.511 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](C)(CC)C2)cc1 1740967622 LYATWIOUDKZPGU-DEOSSOPVSA-N 437.613 4.873 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)C1 1741623284 CFCBWKYHIWKVQO-HXUWFJFHSA-N 441.023 4.849 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1748724463 SWGDTACSJZLHJD-HSZRJFAPSA-N 436.600 4.530 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1748739967 LPKLWLJEKOSEAF-NRFANRHFSA-N 426.362 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H](C)c1ccc(OC)cc1 1748876306 AZNIVOMRWKVLQM-IBGZPJMESA-N 447.970 4.659 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(C)noc1C 1748912969 MYDFQPLTXMIBLD-UHFFFAOYSA-N 425.945 4.926 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C1CC(C(C)(C)C)C1 1748950355 MNIWGZACXOAVBH-PGYGNJIDSA-N 428.552 4.640 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1749330936 SCPDTNCYPDZAHF-RTBURBONSA-N 444.023 4.500 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](OC)C2CC2)CC1 1749334273 FYJBBKRTSWEEBG-IBGZPJMESA-N 449.368 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749355424 IKJRBMWRHHTXIG-GOSISDBHSA-N 429.996 4.505 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1749398640 MWFAGLRFRKSWMX-OAQYLSRUSA-N 435.616 4.938 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1749686936 HJOFRMIVJKVEKY-UHFFFAOYSA-N 447.583 4.766 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCC1(F)F 1750060376 GVBYRTRXALLEDU-ZACQAIPSSA-N 435.494 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1CCC(F)(F)CC1 1760101946 XEPJNWHLCDTDFV-AWEZNQCLSA-N 437.332 4.991 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1760296614 VEHXTHGGZQKEQX-FQRUVTKNSA-N 437.607 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1760297557 ZMLOOHPBBCOPET-IBGGVINMSA-N 447.671 4.814 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CC(C)C 1760334385 JRCWSOBBWHNMDU-NZQKXSOJSA-N 434.588 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(Oc2ccccc2)nc1 1760338574 MVYRLJZZIWJJMO-UHFFFAOYSA-N 440.551 4.902 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1760343661 KZJWGMDIVGLJEH-UHFFFAOYSA-N 428.577 4.711 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1760352797 YHMFCESIZRKVST-SFHVURJKSA-N 446.567 4.544 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 1760352825 YZEWXJNGWKXXMG-SFHVURJKSA-N 425.602 4.988 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1760418620 VTAPTVWUAZPNQK-GGAORHGYSA-N 431.584 4.953 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](COC(C)C)C1 1760433413 FNKIVXYMFKKMMF-QUCCMNQESA-N 444.645 4.728 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCC1 1760456064 GLNUNYVLPMEOMN-IBGZPJMESA-N 432.012 4.796 30 10 IJEE COCCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@](C)(C#N)C1 1769526587 GKPZUJUGBVLCRZ-QHCPKHFHSA-N 447.530 4.739 30 10 IJEE Cc1c(Cl)cccc1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12 1858244658 LOTFOCWVQATDJT-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE CC(C)(C)CCOC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1858698862 XYYXWCRZVDIYPR-UHFFFAOYSA-N 442.541 4.506 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 1862231825 BTAYCWXWNXTRLW-QHCPKHFHSA-N 426.944 4.557 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862445828 DZRXPIUDWUIPJU-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862476906 GFFZMOFOUQIRJO-QFIPXVFZSA-N 433.504 4.994 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862558201 QPDBUXRVMYZQHO-NYHFZMIOSA-N 443.459 4.517 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc(F)c1 1862570861 DGAOGAFTLBPZCJ-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)cc2)cc1F 1862638631 GQFWXBUSKPQIIT-WTGRHJARSA-N 439.483 4.697 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(O)c1 1862692730 SQVIZGVAPFEDTR-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(F)c2)c1 1862735629 PCLQDVHAEYMXNI-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1Cl 1862918503 WQNUPSKMGOEGLP-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863076466 PAXKFSSNDGFUTI-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(F)cc3)C2=O)ccc1F 1863462551 HFMBVGGZYRSYBX-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2cccs2)C1=O 1863808458 MZKYCCUKFXSXNZ-UHFFFAOYSA-N 433.662 4.900 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(Cc3ccccc3)CC2)nc(-c2ccc(F)cc2)n1 1867984654 JVGBBQWMWZYJNT-UHFFFAOYSA-N 443.570 4.783 30 10 IJEE C=CCOc1cn(C[C@H]2CCCO2)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870386578 VHFIUIAJLCRFKB-AREMUKBSSA-N 444.575 4.795 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCCC)cn1CCCCCC 1870422712 SUBZHGOMSCYHPB-UHFFFAOYSA-N 432.605 4.715 30 10 IJEE CCCCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H](C)O)cc1 1871254149 OOHYGORZMFAANC-FQEVSTJZSA-N 445.563 4.634 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCCC3)CO4)C2=O)cc1 1871347484 BMCHEFRFAQYPAG-UCQKPKSFSA-N 433.504 4.964 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 1871373629 AHGZIVAKLWKLLK-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871375392 JELVLAQMSSHLQD-MYYYXRDXSA-N 443.499 4.916 30 10 IJEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871430330 HLVWVARMJMDOST-NHDPSOOVSA-N 428.419 4.978 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871433723 OWHOVGHUDMGXIS-QLTNSANVSA-N 440.492 4.739 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871896081 HNFIRXPMFJQSHW-QHCPKHFHSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccccc1 1872528811 JBVZVXGPOPXECR-QFIPXVFZSA-N 446.638 4.631 30 10 IJEE CC[C@H](C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872771384 SVLTVVWUYIPCFA-LRDDRELGSA-N 435.530 4.756 30 10 IJEE COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c1 1872782009 AUQXMZNQVOAEEX-OAHLLOKOSA-N 428.897 4.979 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccncc1 1874289216 UEKYHIUBBXNTIE-VULFUBBASA-N 449.511 4.574 30 10 IJEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874409269 NHOAFSZSFPEHQM-HZHRSRAPSA-N 430.574 4.587 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874409435 XHNJRRNWDSVUIR-BUVRLJJBSA-N 428.602 4.846 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(CC)cc1 1874411460 UZQSBXYRZFVZJL-LFVJCYFKSA-N 428.602 4.891 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2[C@H]2CCCO2)c1 1874442994 PZWTUQFUMTWOJY-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)OCC(C)C)cc1 1874491287 JIRCBDBZOJRJKI-ZVHZXABRSA-N 446.617 4.829 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2OC(C)C)cc1 1874518333 OILDKRFWAOLGPZ-AFUMVMLFSA-N 449.580 4.864 30 10 IJEE CC(C)Oc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 1874569719 DYLHDANVRUGDFF-OEAKJJBVSA-N 430.961 4.901 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(COc3ccc(C)cc3C)nnc2s1 1874781383 RZRDQKVENWVAKM-UHFFFAOYSA-N 443.617 4.791 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)CC(C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1880045582 JWLKXVXYZGLYSL-UHFFFAOYSA-N 427.545 4.717 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(C#N)cc1 1890874920 JZMJXUXVJRQIBI-PMACEKPBSA-N 447.482 4.609 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)C#Cc2cccs2)C1 1900808139 DFVLDKKRYCKNEN-XMMPIXPASA-N 425.550 4.513 30 10 IJEE C#Cc1c(F)cc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 1903072537 MGCZSBBRSLAEPG-HNNXBMFYSA-N 446.453 4.812 30 10 IJEE C#Cc1cccc(C2CC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)C2)c1 1952458903 YDLGYCOOLCHFPE-UHFFFAOYSA-N 437.495 4.907 30 10 IJEE N#Cc1c(F)cccc1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1959288714 FAVMXQHBBJVJBF-UHFFFAOYSA-N 431.467 4.970 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1976250914 FGHUYBKXGGBZIP-UKRRQHHQSA-N 446.183 4.518 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033849845 ZFQSTCHOLQNMEW-QXSURTEESA-N 440.632 4.655 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CC[C@@H](CC)N(C(=O)OC(C)(C)C)C1 2040661375 OIZFPEMKKWXYKT-MVERNJQCSA-N 446.632 4.668 30 10 IJEE N#Cc1ccc(N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c(Br)c1 2044066702 REJVBZHKRDNRLZ-DUXKGJEZSA-N 440.341 4.922 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2060623461 MJMANIBGKJAOMY-KRWDZBQOSA-N 430.354 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCNc2cc(Br)cc(F)c2C#N)C1 2107451539 POCSMXWVHZCVNH-GXTWGEPZSA-N 426.330 4.955 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 2145541884 QTOKAEVKGKHDGP-HZPDHXFCSA-N 445.348 4.555 30 10 IJEE O=C(NC[C@H](NCc1ccc(C(F)(F)F)cc1F)C(F)(F)F)OCc1ccccc1 2155771949 PYRVLWBHDRDNDY-INIZCTEOSA-N 438.343 4.791 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Nc2cc(Br)cnc2C#N)cc1 2167621703 GNGYTIBAWDCZQU-JKSUJKDBSA-N 429.318 4.840 30 10 IJEE CCCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cnc1C#N 2174712375 OUXWRXWSEVEREM-MRXNPFEDSA-N 437.382 4.722 30 10 IJEE CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Br 2181144979 ACFADNNLBHTDHT-INIZCTEOSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCCC(C)(C)[C@@H]1C#N 2184356737 XHTXUUXFIJCMDA-INIZCTEOSA-N 436.350 4.950 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1c1ccc(C#N)cc1Br 2185154782 QRUYOVOOXXHITK-MRXNPFEDSA-N 444.320 4.840 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@@H](O)C#Cc3ccccc3Br)c2C1 2235728853 IIGRQLWXOIHVBD-FQEVSTJZSA-N 428.326 4.785 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2235745712 DZINGPJKRXLULR-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](N)C#Cc2ccccc2Br)C12CCCC2 2235745771 FRNRZQVHKQEMEM-MJGOQNOKSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](N)(C#Cc1ccccc1Br)C2 2235748268 XXWLBQQOKSHJBM-JOCHJYFZSA-N 433.390 4.699 30 10 IJEE C#CC[C@@H](CC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237410946 SDMKCXGEZVGTBU-HKUYNNGSSA-N 434.374 4.894 30 10 IJEE CCCN[C@@H](C#CC1CCCC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2260980762 LJGLSKIPYAIEOJ-IGKIAQTJSA-N 439.644 4.718 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CC[C@@H](CC)N(C(=O)OC(C)(C)C)C1 2262206878 QBKKBNIFIWSSRY-BWKNWUBXSA-N 447.572 4.799 30 10 IJEE N[C@@H](C#Cc1ccccc1Cl)c1cc(Br)ccc1I 2277838820 BTPGWFNVRQRVRT-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE Cc1ccc(I)c(C(=O)C#Cc2ccc(Br)cc2)c1 2278727015 FJSYIGBEYPEQOI-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1cnc(NC(=O)OC(C)(C)C)s1 2278791136 WYONJEFEJFQNBQ-OAHLLOKOSA-N 436.375 4.955 30 10 IJEE CC(C)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2C#N)CCN1C(=O)OC(C)(C)C 2279332266 XEQZMQMUWQVNLF-WBVHZDCISA-N 436.350 4.541 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H](CC)CCN1C(=O)OC(C)(C)C 2296268514 FTCDHNGGDKCBMI-SXLOBPIMSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@H](N)C#Cc2ccc(Br)cc2)C1 2296301153 RIZXLENMXMJGBY-RBUKOAKNSA-N 433.390 4.555 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2296302933 PLHHRTOGKKHJTE-HZPDHXFCSA-N 449.311 4.624 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[C@H]1C 2296304994 NPAWFPZVZIENQC-WOUAJJJCSA-N 435.406 4.670 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 2296310463 KCOILHMCHXHIDT-OALUTQOASA-N 449.414 4.586 30 10 IJEE Cc1c(Cl)cccc1N=C1NC(=O)C(=C2C(=O)Nc3ccc(Br)cc32)S1 2297313429 LJGZDRTVFZHIGJ-UHFFFAOYSA-N 448.729 4.625 30 10 IJEE CCN[C@H](C#CC1(SC)CCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2299640136 JEDFIZVWRBPTBL-CEMLEFRQSA-N 446.657 4.752 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2306365327 PMIBKJBWURGXHW-STWLZBDKSA-N 428.573 4.555 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OC)cc1 2318581985 GVANMIKFGJWILC-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)NCc1ccccc1 2323126239 IKTUZOLTVXOCHO-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Br 2323857952 GRGDUADTLHLJCL-UHFFFAOYSA-N 430.342 4.867 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)c1 2323921561 WKPHZGRZTBOODO-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE CCOC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O 2324939274 YGUPKGKRPFYXIU-UHFFFAOYSA-N 449.484 4.559 30 10 IJEE O=C1C(=Cc2ccccc2F)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 2325261550 VZDHNEROJUISGO-UHFFFAOYSA-N 449.390 4.796 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(C)c4)c3C)C2=O)c1 2325727158 PXMSPBUCWHLLBA-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CC(C)c1ccc(C=CC(=O)NC2CCC(OS(=O)(=O)c3ccccc3)CC2)cc1 2325883674 PIUDWUQEIHZVCO-UHFFFAOYSA-N 427.566 4.656 30 10 IJEE Cc1cc(OCc2nnc(SCCO)n2N=Cc2ccc(C(C)C)cc2)ccc1Cl 2326556667 NSYQZWFWUYXUQP-UHFFFAOYSA-N 444.988 4.909 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2327756041 PJFREGJPTJILOB-YGKRLXNZSA-N 442.600 4.992 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2328814012 VJWRCZYDRZPECK-UHFFFAOYSA-N 439.302 4.677 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(Cl)cc1Cl 2329038379 RQLUMBYQFPLLJG-AWEZNQCLSA-N 440.400 4.694 30 10 IJEE C(=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1)c1cccnc1 2329348951 ZMYVJXYEDXERRX-UHFFFAOYSA-N 429.549 4.607 30 10 IJEE CCCSc1nnc(CC2CCCCC2)n1N=Cc1cc(OC)c(OC)cc1OC 2330277598 ANFGFHNIZFQGED-UHFFFAOYSA-N 432.590 4.811 30 10 IJEE CCOc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)ccc1O 2330935243 MJDSXSQYAKZCAP-IBGZPJMESA-N 442.516 4.548 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1ccc(F)cc1F 2331092882 QAAMMACDDLIOTI-IBGZPJMESA-N 437.236 4.708 30 10 IJEE CCCOc1cccc(C=Nn2c(CCOC)nnc2SCc2cccc(F)c2)c1 2331259876 NARLTHHDJTVTII-UHFFFAOYSA-N 428.533 4.569 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(CC)cc1 2331324343 MAZSDZVGCHNURJ-UHFFFAOYSA-N 439.560 4.935 30 10 IJEE Cc1ccccc1CSc1nnc(C(C)(C)C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331366327 PBVKLOJVFFNUAO-UHFFFAOYSA-N 425.514 4.672 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])cc1 2331562232 UVIXRHYBZFRLPE-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)cc2)c(OC)c1OC 2331885551 MQPLXQPCSAHALN-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339576943 NMULOZONYBUAAC-KICKTSRDSA-N 444.381 4.751 30 10 IJEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339596794 LZFSXQMVNPYKQF-KICKTSRDSA-N 443.397 4.608 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)CSc3ccc(Br)cc3)C2)OC1(C)C 2368345058 FVEAIPKDVJXBHY-IBGZPJMESA-N 440.212 4.626 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2OC)cc1OC 28052632 ZUMQRARXBVIOAJ-FYSMJZIKSA-N 446.503 4.967 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cccc(OC)c2)c1C 32971680 QNTBBPFAUPPBJS-UHFFFAOYSA-N 439.947 4.580 30 10 IJEE CCOc1ccc(N/C(=N\C(=O)c2cccc(C)c2)NCc2c(C)nn(CC)c2C)cc1 32971865 DICDXCFOUNMCDX-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE N#Cc1cccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccc(F)cc4)c3C2)c1 34755756 WDCZTOZJBXXIGR-UHFFFAOYSA-N 443.526 4.828 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(CC)s2)cc1 35490640 VEKDDWRAZIJVTQ-FQEVSTJZSA-N 445.500 4.522 30 10 IJEE FC(F)C(F)(F)C(F)(F)C(F)(F)[C@H](NCc1ccccc1)n1nnc2ccccc21 106830494 ZOERGGQLBMPROF-OAHLLOKOSA-N 438.322 4.891 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934360 YGEZWGWRCSOAOV-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1C 169964431 JAUTZYRKNJCRLY-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 170009427 KFWKGJJPHKILJV-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(N(C)C)cc1 170129713 PKXGCXRIXKLUMK-OSPHWJPCSA-N 448.563 4.845 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140328 KMQNLFWSDCLGBW-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)ccc1Cl 170166118 GZIJVIZNHTYEBJ-LJQANCHMSA-N 449.956 4.804 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OCC(C)C)cc1 170167312 KAOSZRWTBFLGJL-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccn1 170178443 FGHLOUFKNAXJPK-QHCPKHFHSA-N 441.531 4.861 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3ccc(F)cc3)ccc2O1 170239355 DEKUQNGBYUUEGL-LFVRLGFBSA-N 445.446 4.638 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170251098 NFSBKYZHHSQQFX-XMMPIXPASA-N 442.490 4.878 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C[C@H]1CCCO1 170273426 XXKFHFMRQKXDOU-NFBKMPQASA-N 435.520 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccco2)cc1Cl 170281635 OHRHGEATVQCMIA-LJQANCHMSA-N 427.815 4.864 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)ccc1OCC(C)C 170292452 BPIFILNJORZJSR-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299473 OZJDKFBITNZWPT-NRFANRHFSA-N 437.398 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1)c1ccccc1 170374790 OEIGSEMYVGCZOF-NRFANRHFSA-N 433.847 4.852 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)o1 170401172 YDOUOIMNWQHDBW-SFHVURJKSA-N 444.365 4.665 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccs2)c1OC 170412132 MGRJXCLWOBEBCC-HXUWFJFHSA-N 435.501 4.544 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170473862 PUVVJRZOICZCQD-QFIPXVFZSA-N 437.536 4.993 30 10 IJEE CN(C)CCSc1cccc(-c2ccnc(-c3cccc(C[C@@H](S)N(C)C)c3)n2)c1 198869124 BROCHQYGABQUNP-HSZRJFAPSA-N 438.666 4.824 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N\N=C/c3ccccc3F)N(Cc3ccco3)C2=O)cc1 210631748 ZHWDOWVBCOARNR-HWJUDHBUSA-N 448.523 4.991 30 10 IJEE N#Cc1ccnc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)c1 436006995 LQJNZHWRDJMGIL-UHFFFAOYSA-N 448.461 4.805 30 10 IJEE COc1cccc([C@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2ccccc2Cl)c1 439839724 WPNAONLLBBTGPK-IBGZPJMESA-N 439.924 4.562 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 460394421 NMSKSCMXHZQJFD-UHFFFAOYSA-N 430.581 4.563 30 10 IJEE C=CCn1c(SC[C@H](O)COc2ccccc2C(C)C)nnc1-c1ccccc1F 514600016 NATIABXKCGVPHE-QGZVFWFLSA-N 427.545 4.926 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@]2(CCCOC2)C1 555240535 PABQYJMMGFXBCJ-QHCPKHFHSA-N 428.602 4.552 30 10 IJEE N#Cc1ccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2cccs2)cc1 586215111 WENUSDWNLAPEMX-UHFFFAOYSA-N 433.352 4.778 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 586261189 MRBPGZZCDDRXHD-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 612941632 HUVNLIHDURKLKC-SFHVURJKSA-N 447.903 4.736 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 779166283 YXKRKYBUROPVOZ-SFHVURJKSA-N 440.975 4.583 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)CCCN1C(=O)OC(C)(C)C 790487608 BIKZXXYRZVKJRQ-JOCHJYFZSA-N 435.952 4.973 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 806273359 VZOMIOXTSXFDNR-XMMPIXPASA-N 446.572 4.558 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1)Nc1ccccc1Cl 1084550726 SMDQESGXNAURTO-UHFFFAOYSA-N 436.928 4.788 30 10 IJEE Oc1ccc(Br)cc1C=NNc1nc(SCc2ccccc2Cl)n[nH]1 1084640385 YHZZAPPKVZXIRS-UHFFFAOYSA-N 438.738 4.665 30 10 IJEE CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cccs2)[n+]2cc(O)ccc2C)C=C1 1115894519 FZBXBCOSGPRMBT-UHFFFAOYSA-O 441.554 4.634 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(OC)c(C(C)C)c(OC)c1 1124608115 VPHUEQPNGFCIKV-UHFFFAOYSA-N 428.481 4.570 30 10 IJEE CCOc1ccc(Br)cc1CN(C(=O)c1ccc(C#N)cc1OC)C1CC1 1125911706 BRFVUTQVOMCBBL-UHFFFAOYSA-N 429.314 4.533 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 1127888844 FGJBTUBEKDYAJV-UHFFFAOYSA-N 430.855 4.540 30 10 IJEE C#C[C@H](C)N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1128472250 CDPRBKJNMUAPPP-AWEZNQCLSA-N 445.375 4.813 30 10 IJEE C#CCN(CC(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1)C(=O)OC(C)(C)C 1147403466 KPNFMGXEEFNGBG-UHFFFAOYSA-N 439.459 4.638 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 1161579951 ALAPWOFWOBLGEI-UYAOXDASSA-N 426.358 4.586 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1cc(Br)ccc1F 1167294597 SZKBDNIHIKOODH-CQSZACIVSA-N 425.367 4.685 30 10 IJEE C#CCN(CC(=O)Nc1c(C)cc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 1167420460 FVUDRZBKNNLIFO-FQEVSTJZSA-N 441.369 4.772 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2cc(Br)ccc2C#N)C1 1187606637 CWQMMIACYGGDGJ-ZDUSSCGKSA-N 430.293 4.625 30 10 IJEE N#Cc1cc(Cl)ccc1SCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 1188869624 GKIUJCGKBLXNEJ-IBGZPJMESA-N 434.392 4.910 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CC(C)C)c2ccc(C#N)cc2)n(Cc2ccco2)c1C 1191837383 DMLLOIUYFYWUJR-UHFFFAOYSA-N 429.524 4.591 30 10 IJEE COC(=O)c1ccc(C)c(NC(=O)CN(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 1191852825 DRWKSOPZYUYVIV-UHFFFAOYSA-N 445.494 4.746 30 10 IJEE CCCc1c(NC(=O)NCCc2cn(C)c3cc(F)ccc23)cnn1-c1cccc(C#N)c1 1203571945 CNNGRGFZSBXSAW-UHFFFAOYSA-N 444.514 4.691 30 10 IJEE CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)sc2C1 1216956146 DANQAPOCABRYPG-SFHVURJKSA-N 437.613 4.910 30 10 IJEE C=CCO[C@@H]1CCN(Cc2csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n2)C1 1254558695 WEYQTOYQGBGTGZ-GOSISDBHSA-N 425.476 4.623 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C 1264208427 DEKGHFSCLCVKAZ-UHFFFAOYSA-N 425.316 4.912 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)cc1OC 1264513624 DREGTPTZQKCLTA-USYSOWRXSA-N 446.341 4.922 30 10 IJEE C[C@@H](NC(=O)CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 1268927194 DVIYACOHLZUJDJ-GOSISDBHSA-N 436.515 4.704 30 10 IJEE C=CCn1c(SCC(=O)N(CC2CCC2)CC2CC2)nnc1-c1ccc(Cl)cc1 1270362136 ORHIPUDSQBMFJT-UHFFFAOYSA-N 431.005 4.915 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1275447452 HWJRCDOHFFRJPB-OAQYLSRUSA-N 426.944 4.854 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cscc1C 1286457451 PLOWCOPPOGPUFJ-FQEVSTJZSA-N 438.597 4.539 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1286500974 IUASVQRTZKNCGW-HQRMLTQVSA-N 445.032 4.988 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1286646204 MWEYUZUEPGZRRO-REWPJTCUSA-N 440.588 4.503 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1286689493 RXRBKQTVTAUPDT-XMMPIXPASA-N 430.600 4.725 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21)C(C)C 1286752526 YPVHCWWUPWZYIF-ODTAKUCXSA-N 441.664 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@](C)(OC)C1CC1 1286753025 REYRCKOOKIKLLI-OAQYLSRUSA-N 449.368 4.840 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C#N)CC1 1286834834 KONVMQCUEIQKDO-UHFFFAOYSA-N 439.629 4.948 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1288495110 CTVGBQLBIAKUNT-BEIWTESXSA-N 441.626 4.623 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1295636095 CQYIRSDITKBEPI-IRLDBZIGSA-N 435.597 4.966 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCS1 1299903545 FRIRENFVNDWLRN-KKSFZXQISA-N 431.993 4.633 30 10 IJEE C=C[C@H](C)ONC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1300210907 MKPJPFTXNPNOBF-AWEZNQCLSA-N 435.471 4.818 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1csc(C)n1 1300284185 QGAKDQJJNWBYAE-HUUCEWRRSA-N 425.627 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCC[C@@H]1CC 1300284250 QQMMNKJURAHSTN-DYXWJJEUSA-N 439.673 4.854 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](OCC=C)C1 1300385411 AKJGOTHBLDOMTG-HXUWFJFHSA-N 433.581 4.572 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(SC)CCC1 1300650107 YMEQQKOOJIQOPI-FQEVSTJZSA-N 428.577 4.584 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cccs1 1300980673 UEMAHFQGUHAJAC-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)CN2CCCC2)CC1 1301065968 LFYIAABVTZZUKR-REWPJTCUSA-N 437.632 4.923 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1301077819 FCNVUHDOPYFBKK-UHFFFAOYSA-N 433.556 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1301142134 WOKNBVZSWHSQOW-JOCHJYFZSA-N 448.615 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1301154246 NEBWFWWQZLMJHO-HSZRJFAPSA-N 431.584 4.914 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)CN1CCCCC1 1301278219 HXJBPBIQYICOAU-MOPGFXCFSA-N 427.662 4.876 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1301320407 CGNGFXWPSJRXPP-OALUTQOASA-N 443.039 4.906 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C)n1 1301406322 OZMNPGCLRMZWGK-UHFFFAOYSA-N 444.564 4.653 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)CN2CCCCC2)C1 1301545128 DLUSNICXXIJHOK-UXHICEINSA-N 444.023 4.502 30 10 IJEE Cc1cc(C)cc(OCCN(C)C(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1 1307303537 ASQJDZKTMAGJGS-UHFFFAOYSA-N 431.561 4.867 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(Oc4ccccn4)cc3)CC2)c1 1310319018 CJPYVZVFTKJCKP-UHFFFAOYSA-N 427.508 4.532 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1F 1310362544 CBKOSROANDFUPC-OAQYLSRUSA-N 431.467 4.965 30 10 IJEE C=CCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CCOCC1 1348623556 HDTWUXOVRRMAKC-HSZRJFAPSA-N 431.580 4.855 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)CCC=C3)c(C(=O)OCC)c1C 1353746773 SNZCUBSRDQCBDJ-UHFFFAOYSA-N 425.506 4.788 30 10 IJEE CC[C@@H]1[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN1C(=O)OC(C)(C)C 1356209205 BVYRSWFIIRMXAT-WOJBJXKFSA-N 436.512 4.720 30 10 IJEE C=CCc1cc(CNC(=O)c2cncc(-c3ccc(OC)cc3C)c2)cc(OC)c1OC 1356317958 XWZWKGWNZROJGO-UHFFFAOYSA-N 432.520 4.741 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(F)c(Br)cc1F 1356342999 WDLGKMSASMEJNX-CQSZACIVSA-N 446.292 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC1CC1 1359095864 SWHLNNBNNPGZSQ-REWPJTCUSA-N 440.588 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC(F)F 1359128801 GGNLIAXTWMIINM-UHFFFAOYSA-N 447.299 4.531 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@H]2CCCCO2)CC1 1359176182 OPNOGUBUDMXYLE-OAQYLSRUSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC2(C)C)CC1 1359177765 APRUJFLQFRBDAT-UXHICEINSA-N 443.636 4.841 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C)(C#N)CC1 1359223404 KIWYAYYOUMUQNT-SFHVURJKSA-N 439.629 4.854 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN(C)C1CCCC1 1359244655 LMZBKKGXNDUZSR-UHFFFAOYSA-N 438.403 4.661 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1CCOCC1 1359244891 UPTLBPSHRTVXCB-UHFFFAOYSA-N 425.360 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H](C)C1 1359262616 ZGRORWZWRQUPRB-SFHVURJKSA-N 425.602 4.833 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@H]1C 1359277422 LWSREAXNWWONJK-CTNGQTDRSA-N 438.547 4.509 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)c1ncc(C)s1 1359281034 MMAGOVNFVUSXQA-INIZCTEOSA-N 436.585 4.634 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(Cc1cccs1)Cc1cccs1 1359296310 FBRHTYSKOUBANT-UHFFFAOYSA-N 449.605 4.577 30 10 IJEE C#CCN(C(=O)c1cccc(OCCC)c1)[C@H]1CCOc2ccc(Br)cc21 1360311663 ZGZXQRQLURBLFQ-FQEVSTJZSA-N 428.326 4.837 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)cc21 1439757171 LJPDXZCHYFWKEP-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 1448617721 SXXVSAVYABZMQO-QGZVFWFLSA-N 439.383 4.838 30 10 IJEE C=CCC1(CNC(=O)c2cc(OC)c(OC)cc2NC(=O)Cc2cccs2)CCCC1 1449431059 PRDWWZPLSDDVDM-UHFFFAOYSA-N 442.581 4.813 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC2(C)C)c1 1459904810 FKADYHJZNCKUNK-FQEVSTJZSA-N 432.973 4.640 30 10 IJEE Cc1nsc(N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4s3)CC2)c1C#N 1460631094 AJFKCGTWWXEJTR-UHFFFAOYSA-N 436.484 4.519 30 10 IJEE C=C(C)CN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 1462733648 PONJYWAHFDRAAP-UHFFFAOYSA-N 428.323 4.967 30 10 IJEE CCN(CC)Cc1cccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 1464259369 BNWOHZQUTJPDRC-UHFFFAOYSA-N 427.548 4.909 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)cc1 1465398911 PQBXJSAPVRKFKW-IBGZPJMESA-N 429.524 4.951 30 10 IJEE COC(=O)[C@@]1(C)CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 1465771363 FTYWKVLOZRFUPH-NRFANRHFSA-N 447.413 4.786 30 10 IJEE O=C(NCc1cnccc1C(F)(F)F)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1466346669 HGKJHPBEVQCCAM-ZDUSSCGKSA-N 429.723 4.996 30 10 IJEE C[C@H](O)[C@@](C)(CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 1467801952 BUJCXVVBJAIZEZ-HFJWLAOPSA-N 432.495 4.849 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 1468939941 RJMSTMHPSOYOLQ-JOCHJYFZSA-N 436.552 4.733 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cc(F)ccc3[C@@H]2C)n(Cc2ccccc2)c1C 1473770538 ALAQGUBEZVFUBH-IBGZPJMESA-N 430.527 4.722 30 10 IJEE C=C1CCC(CNC(=O)Nc2cc(Br)ccc2I)CC1 1476028298 DJBAKTKSBCBGMJ-UHFFFAOYSA-N 449.130 4.922 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccccc3)[C@H]2c2cccc(OC)c2)CC1 1477804061 XNEPITLOHGKFGJ-CLJLJLNGSA-N 433.596 4.976 30 10 IJEE C#C[C@@H](NC(=O)N(CCOCC)[C@H]1CCc2ccccc21)c1ccc(Br)cc1 1478897168 VREVXIRVAKLUBM-YADHBBJMSA-N 441.369 4.859 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1499453057 FTEOSSDYEFXBNC-MQSCRBSSSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)C(F)(F)F 1507521652 APHIABPKMFMJAM-LBPRGKRZSA-N 429.284 4.754 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CC12CCOCC2 1507600186 CPLLIPDFFJUZIE-OALUTQOASA-N 442.991 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507681855 DIYONWFWDWKZJV-REPLKXPHSA-N 426.630 4.939 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCOC1CCCC1 1507700341 QUJLUNXNMBJELU-UHFFFAOYSA-N 436.531 4.975 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1507755972 RTGULMWZCWSINM-UHFFFAOYSA-N 434.531 4.519 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C(C)C 1507795695 JMHCEBUQKGMDGI-PKOBYXMFSA-N 433.394 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N1CCCCCC1 1507818451 MSHWXLIUTQAVHH-UHFFFAOYSA-N 429.996 4.794 30 10 IJEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCCC2(CCCC2)C1 1507848649 PRVHIMZDJNSRJX-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1507858528 FSDZOXNYBLAGKU-OLZOCXBDSA-N 443.798 4.527 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCN(CC)C2)CC1 1507892492 TVMXVOPZJYOZRJ-SFHVURJKSA-N 432.037 4.722 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)CC1 1507911518 HTWWYQFLNARRQC-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1507925815 JCPDIDKKBCGUJR-GOSISDBHSA-N 428.577 4.712 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1507939527 QICPGQHYESUUBO-RUZDIDTESA-N 449.574 4.709 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507962073 MNFSJBHPEXVHGQ-UHFFFAOYSA-N 429.927 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2ncc(CC)s2)C1 1508112469 PLENQPMMMIPLSM-MRXNPFEDSA-N 444.004 4.641 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)C1 1509402802 DOMDNJWOYHHMIY-HXUWFJFHSA-N 441.023 4.706 30 10 IJEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CCCS1 1510343465 FHFMXQWUPSLOSU-XLIONFOSSA-N 435.519 4.881 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21 1519864984 OZZZKAYSDMOYBF-UHFFFAOYSA-N 446.448 4.683 30 10 IJEE C=CC[C@]1(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)CCCN1C(=O)OC(C)(C)C 1520609837 CTEJUCISIPLEKW-XMMPIXPASA-N 443.975 4.983 30 10 IJEE COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)CC1=O 1520663181 GKEMBYYCSGJVSW-GFCCVEGCSA-N 431.945 4.571 30 10 IJEE C=CCN(C(=O)c1cc(C)c(OC(F)F)c(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1522958159 CALUGJNZNYBRNB-FQEVSTJZSA-N 431.479 4.707 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)Cc2ccc(Br)cc2F)c1 1524918618 CZXYBWXHTRUPMV-UHFFFAOYSA-N 427.067 4.508 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 1528416126 XKNYHUBGFUBWRA-HNNXBMFYSA-N 437.334 4.566 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cn(-c3cccc(Cl)c3F)nn2)c1 1529918545 NTZWCPAWCYURSL-UHFFFAOYSA-N 430.870 4.888 30 10 IJEE C=CCCn1cc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)nn1 1533964051 MXPGGXQNQIAZLA-QHCPKHFHSA-N 449.624 4.569 30 10 IJEE C#C[C@@H](CC)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1535483525 MCYAEALMROXVJU-FQEVSTJZSA-N 432.593 4.852 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccc(C(F)(F)F)cc1 1536398044 HPLRTIVPHHTAAX-IBGZPJMESA-N 430.426 4.946 30 10 IJEE C=CCn1cc2ccc(NC(=O)C3(S(=O)(=O)c4cc(C)ccc4C)CCCC3)cc2n1 1538558706 OAEVLFDTFRAUHR-UHFFFAOYSA-N 437.565 4.564 30 10 IJEE C=CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1538618313 GPBZXKVDJYVSLB-NHCUHLMSSA-N 433.470 4.912 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ncc(CC)s1 1538985239 YSGFKJAAYKNVFD-JKSUJKDBSA-N 439.654 4.851 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)c1nccs1 1539085639 OBLYBKYLDUHRBJ-GUDVDZBRSA-N 429.634 4.697 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnn(CC(C)C)c1C 1539247227 WHGHSLARQGUVNL-UHFFFAOYSA-N 442.611 4.525 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCc1nc2c(s1)CCCC2 1540077740 RFXZUDKUSPUGEH-UHFFFAOYSA-N 443.567 4.737 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H](c1cccnc1)C(C)C 1540126688 MXPCQJLRNKJPSC-QHCPKHFHSA-N 439.567 4.763 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cnn(-c2ccccc2)c1 1540182720 WMLWAZRHVOEIPE-UHFFFAOYSA-N 430.556 4.638 30 10 IJEE CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1540472238 HZPPUIWBUYDXJM-XMSQKQJNSA-N 447.476 4.822 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)Cc2nccs2)cc1 1540878915 MFABVCXCYLISIS-UHFFFAOYSA-N 437.594 4.636 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CC2CCCCC2)cc1 1540879011 PJPJVHBAWXDVBI-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCS2)C1 1540884799 UZNGFONSOWDPKM-QRVBRYPASA-N 446.592 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)[C@@H](C#N)C1 1543734326 FWYPKISSRHVUFG-SFHVURJKSA-N 425.916 4.592 30 10 IJEE C#CCOc1ccccc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 1556242743 SZSNDNMRJAAOPH-UHFFFAOYSA-N 428.319 4.989 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)C(=O)OCC 1556642646 SSKXVKBDGQNSKT-HXUWFJFHSA-N 437.927 4.820 30 10 IJEE C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1C#N 1561394740 AFCGLEMYNIPKQU-OSPHWJPCSA-N 436.964 4.979 30 10 IJEE C=CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1562233966 YYWNQUINCYFVRW-NJNXFGOHSA-N 434.606 4.538 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCC3(c4c(Cl)cccc4Cl)CCC3)CC2)cc1 1564664917 BXLLVIPARSEXQO-UHFFFAOYSA-N 443.378 4.819 30 10 IJEE CC(C)c1ccc([C@@H](CNC(=O)c2cc(F)c(C#N)c(F)c2)NC(=O)OC(C)(C)C)cc1 1565645394 CYZDXXRAZBFZCZ-OAQYLSRUSA-N 443.494 4.956 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(F)ccc1O)c1ccc2c(c1)OCCO2 1565656057 MYRRIIFTBWXREW-UHFFFAOYSA-N 435.451 4.714 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 1584067796 DCJFJNMIFPBRDV-INIZCTEOSA-N 439.968 4.950 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)CN1CCCC1 1587585970 IKPCIAPRWBLXTP-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1sc(C)nc1C 1587594302 UJSMMFJRUIVWBA-MRXNPFEDSA-N 447.564 4.697 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(C)CCCS1 1588265451 ASSKMIGUBGHENC-MBSDFSHPSA-N 428.602 4.562 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C2CCC2)CC1 1589708480 OKDFGSDOQOXQDW-LJQANCHMSA-N 444.023 4.939 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1593840323 GHLCVQMQZOFOQV-IBGZPJMESA-N 444.023 4.639 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)Cc1ccccn1 1593851691 BBNJNIULPQYGOD-UHFFFAOYSA-N 427.936 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC1COC(C)(C)OC1 1594472925 JZPALEAJRCEMPY-UHFFFAOYSA-N 426.605 4.945 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1594726505 CAAYGWYCVHPHTR-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@@H]1CSCCS1 1595076201 WWAVUVQEBZSROF-HXUWFJFHSA-N 430.643 4.595 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CCCS1 1611734509 HQLQCOXXNDCAFJ-AOMKIAJQSA-N 429.565 4.583 30 10 IJEE N#Cc1cc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1Br 1615027143 FPMFFGRORVEMFV-UHFFFAOYSA-N 431.620 4.593 30 10 IJEE C=CCC[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1 1616676890 GKALZIFTCHZBBR-TZIWHRDSSA-N 448.485 4.627 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 1625220702 OBFRFAISHDIFON-OXJNMPFZSA-N 435.996 4.893 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2occc2NC(=O)OC(C)(C)C)cc1 1625682377 VJQJHTAJEFIPSW-UHFFFAOYSA-N 425.485 4.693 30 10 IJEE COc1ccc(CCNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1 1630443566 HJLVGTPRQNRDEX-SFHVURJKSA-N 429.520 4.845 30 10 IJEE N#Cc1ccc(NC2CC2)c(NC(=O)CCOc2ccc(Cl)cc2Br)c1 1633875453 GCIJFLGWVOVVJK-UHFFFAOYSA-N 434.721 4.956 30 10 IJEE C[C@@H](C#N)CNC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1634154872 CVVYLYFTEPOHOW-INIZCTEOSA-N 431.367 4.570 30 10 IJEE C=CCCCCCCNC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1635113974 ODPUXVHWBRCGGT-QGZVFWFLSA-N 426.401 4.891 30 10 IJEE CC#CCNC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 1637576914 UELLTDDDNQMOHM-UHFFFAOYSA-N 428.463 4.940 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H](COC)c1cccc(Br)c1 1637869939 XZWIGBJSOFWNRF-FQEVSTJZSA-N 433.346 4.856 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1)c1ccccc1 1638481888 HDYUPAULINVLCQ-WNOPAQSVSA-N 442.600 4.657 30 10 IJEE C=CCn1c(Sc2nc(OC)cc(C(F)(F)F)n2)nnc1-c1cccc(Cl)c1 1639673357 LPIYQVWVUDNPIP-UHFFFAOYSA-N 427.839 4.753 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 1639805737 QYBRWYDEMCCSJS-XZOQPEGZSA-N 443.632 4.748 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)cc1OC 1648199022 QJGYPYDUHQEQMU-LXQNSZHJSA-N 446.591 4.644 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 1648434772 BKUVDMXNVCHYIV-QHCPKHFHSA-N 431.923 4.735 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1649541013 AHCNPYKGGSOSSJ-LJQANCHMSA-N 442.608 4.696 30 10 IJEE CCOC(=O)[C@@H](C)N(CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2)C1CC1 1654172370 BHUCEUYZMXJSBS-HZPDHXFCSA-N 445.629 4.515 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](CO)CC3CCCC3)cc2F)c1 1658936755 BYQDFPWEQXTYHI-HXUWFJFHSA-N 425.504 4.587 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)[C@H](C(=O)OC)c2cc(F)c(F)c(F)c2)cc1OC 1658999091 JLTFUEPOPIENRH-IBGZPJMESA-N 443.849 4.677 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cnc2ccccc2c1 1659957303 QGAMOQYWHDFZNV-UHFFFAOYSA-N 435.318 4.513 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)C[C@@H]2CCCC2(F)F)c1 1661061114 SNLMPIGDSDNJSJ-KRWDZBQOSA-N 436.476 4.626 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCCCC2)c(F)c1 1662964387 CJGXTYJVGIYWMN-UHFFFAOYSA-N 444.425 4.993 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C 1663454114 GNDITUTZMOBTGN-UHFFFAOYSA-N 431.945 4.533 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@H]2C)C1 1665469042 HTVDMHDOIGIBKJ-CEXWTWQISA-N 443.588 4.927 30 10 IJEE Cc1cc(C)cc(C2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)c1 1666579299 BGBQAKCJSWMJLK-UHFFFAOYSA-N 433.371 4.506 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1 1668379099 MJAGGKFRVSWLDX-QFIPXVFZSA-N 432.568 4.819 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)sc2ccc(C#N)cc12 1669574641 FYBACQFAQQJUTK-NHCUHLMSSA-N 440.590 4.948 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1)[C@@H]1CCCc2ccccc21 1670519842 JSBXKCXNMXZASP-HTAPYJJXSA-N 432.499 4.968 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1678228187 AEGGVYMIDOZFGU-LEOXJPRUSA-N 426.582 4.614 30 10 IJEE COc1ccccc1[C@H](CC(C)C)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1678525230 GJGOJNFHOBIAOF-DEOSSOPVSA-N 434.584 4.618 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)NCc3ccccc3Sc3ccccc3)CC2)cc1 1684194649 DSLSRBZORJAKRJ-UHFFFAOYSA-N 442.588 4.737 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1684704495 NQARTRYHZFHCGS-VMDGZTHMSA-N 435.749 4.852 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 1686762648 YCPBDSXTZPLMDE-IFMALSPDSA-N 434.515 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](SC)C(C)(C)C 1689838257 WOVSYAJPQHRIPU-WMLDXEAASA-N 435.435 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@H]1CC 1689850274 ZBWPMHKKOJDZSW-JSXRDJHFSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cc(Cl)ccn1 1689885714 RZESMYWMTFGAMB-UHFFFAOYSA-N 432.959 4.925 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1689895376 RKRZTLLGQLPIDD-HXUWFJFHSA-N 446.542 4.850 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1c(CC)noc1C 1690061002 OHDOFHLOXFTPGX-UHFFFAOYSA-N 446.580 4.744 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C(CC)CC)N(C)C 1690062289 JUCBPRYGAHBNGL-HXUWFJFHSA-N 446.437 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](c1cccnc1)C(C)C 1690260501 NBLXGPNDYCTXTH-JOCHJYFZSA-N 447.583 4.954 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)c1cccs1 1690261717 XHOKGHDBISLHTB-XMMPIXPASA-N 435.597 4.808 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(N(CC)CC)nc2)CC1 1690406956 ZCUNJTIXIKQVKJ-UHFFFAOYSA-N 434.563 4.776 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C/C=C/c1ccccc1 1690525301 CSXSCIGHWWTTAO-JLHYYAGUSA-N 437.588 4.728 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1cc(C)oc1C 1690563243 LAVNLEFHGOLEEJ-AREMUKBSSA-N 445.567 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccs1)N(C)C 1690576349 XKPLAOCDZXPYKC-LJQANCHMSA-N 438.626 4.892 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1690632795 QEAMFNCGINZUBW-KGLIPLIRSA-N 425.396 4.595 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC(CN(C)C(C)C)CC3)nnc2C(C)(C)C)cc1 1690681064 FDDXBZZVDYMCCB-UHFFFAOYSA-N 439.648 4.745 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(c2cnn(C)c2)CC1 1690683296 GWQRKHRYKWKWGT-UHFFFAOYSA-N 448.615 4.597 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(CC(C)C)CC2)c1 1693030963 AKSNUINVAHIYTF-XMMPIXPASA-N 425.552 4.742 30 10 IJEE C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)C1 1693662164 BGZBDSYNLIKJAJ-NJDAHSKKSA-N 434.632 4.810 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCCN1CCCC 1705591383 BZFFXDCSXRJZMQ-HSZRJFAPSA-N 438.019 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)CCC 1705696639 PQAQKMIRCRHRSZ-JLMWRMLUSA-N 426.561 4.527 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1705721901 HZCOXLUKQSJBSA-UHFFFAOYSA-N 439.648 4.613 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1705736858 FDWZHMQORJMOMQ-UHFFFAOYSA-N 425.621 4.565 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1705758868 GGJFSDRTADJPAQ-UHFFFAOYSA-N 426.735 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](Oc2ccccn2)C1 1705790233 NSGWAPRQYOHFME-LJQANCHMSA-N 433.556 4.609 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCO[C@@H](C)C1)c1ccccc1 1705797708 AWYDHEHMWQYBEW-GHTZIAJQSA-N 437.613 4.609 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705821430 WSNNWGHVGRVXPN-RBBKRZOGSA-N 427.662 4.987 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](c1cccs1)N(C)C 1705834094 DHIGCFXABJOMNC-WMZOPIPTSA-N 429.565 4.544 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCSC1 1705878802 APZUYXOWZZYRNY-MRXNPFEDSA-N 429.977 4.575 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1710108016 GHFYFBMMSAPBIC-HXUWFJFHSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1sc(C)nc1C 1722275760 BIFCXZNONCYDMB-MRXNPFEDSA-N 430.581 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCC(F)(F)C1 1722304449 XPDZPVHFFVFPGD-ROUUACIJSA-N 432.515 4.539 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](OC)C1CC1 1722395245 VUWRDXQLVKJRDP-SFHVURJKSA-N 438.984 4.701 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCSC[C@H]1C 1722454520 MGEYMSXZFVRDQT-MRXNPFEDSA-N 432.684 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C)CC1 1722493208 XEKWQBNIFXCASQ-KNKQGSTJSA-N 426.536 4.695 30 10 IJEE C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553191 HNCVPFZZMWQNTJ-KNJMJIDISA-N 429.609 4.640 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(N(C)C)CCCCC2)CC1 1722567907 QJRODVOMRXYNBR-UHFFFAOYSA-N 429.559 4.568 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@](C)(O)c2ccco2)CC1 1722582586 NDMISVYWZMEGEP-DEOSSOPVSA-N 438.597 4.782 30 10 IJEE C=CCCCn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722623560 VIPAIBOESKTOGG-MHECFPHRSA-N 428.552 4.548 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1722625524 SRQQHSZJBPTSEI-MNZLEMJZSA-N 449.368 4.674 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1722626859 HFDKJCVUDFWSMH-QHCPKHFHSA-N 442.579 4.618 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccccc1 1722685995 PTIUGMWOBGFXFY-FQEVSTJZSA-N 425.577 4.605 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(C)C)C1 1722734924 LGRNXPSKPSTHGZ-MJGOQNOKSA-N 446.686 4.912 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 1723548324 AZINOGMHYKHAMF-GMAHTHKFSA-N 434.632 4.810 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1740593087 RJSKPCJWGNKLEB-FGZHOGPDSA-N 437.607 4.512 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1740781333 CCJVWKWSEHSWHM-OAQYLSRUSA-N 428.552 4.785 30 10 IJEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCC(OCCC(C)C)CC1 1740813271 AWTLEEAPCGHBDH-UHFFFAOYSA-N 432.996 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740845243 JFPRXEPJRCJQOM-SANMLTNESA-N 438.616 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 1740851056 PKPNUXNQAHTRQJ-LAUBAEHRSA-N 430.543 4.755 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCc2ccccc21 1740924935 GNOJDFGTZDYKPS-ATIYNZHBSA-N 436.600 4.617 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1741003609 YMCLSVBOCOFULG-CZTZKLFOSA-N 442.629 4.687 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N(C)CCc1ccc(Br)cc1 1748755285 IUTPIMJAXPUDRH-UHFFFAOYSA-N 429.406 4.866 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@H]1C[C@H](F)C1 1748868425 WNUNKARKMZOKOD-QWFCFKBJSA-N 428.939 4.673 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCc1nc(C)c(C)s1 1748902457 OZXKJXHMRZWCNF-UHFFFAOYSA-N 449.649 4.658 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1749277816 LWZOEKVXUYLTOZ-HOTGVXAUSA-N 437.769 4.607 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749413060 ROWWZCINCTWUNH-SXWKCWPCSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 1749421939 SNQVNICLQXNPRG-CQSZACIVSA-N 437.357 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1scnc1C 1749467548 SKYRWRSMKOJXMT-UHFFFAOYSA-N 432.597 4.982 30 10 IJEE C=CCN(c1nnc(C2CCC2)n1CCc1ccc(OC)c(Br)c1)C1CC1 1749516785 DRUBSHMJMBBFAY-UHFFFAOYSA-N 431.378 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1ncccc1N(C)C 1749548839 LGKDRMVARZPNDQ-UHFFFAOYSA-N 434.569 4.610 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 1749591240 OQUYXXBIHGZLCS-DHLKQENFSA-N 426.605 4.900 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@@H](C)Cc2cccs2)c1 1760126533 BESJZMCPFMMGLR-OALUTQOASA-N 449.624 4.788 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760139815 PQJXTVOPXGAPFX-DEOSSOPVSA-N 425.665 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CSCCS1 1760331299 HJCSWSDIUWHGSP-GOSISDBHSA-N 425.627 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1760332899 PHFOGRUZOPDNGE-UHFFFAOYSA-N 430.343 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCCn1c(C)nc2ccccc21 1760339283 CNSGRIAHMDROOC-UHFFFAOYSA-N 449.628 4.785 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1760354378 YLRMCRWSAQCHFX-FPOVZHCZSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760435107 XQRXTEOYEMJCNW-OAHLLOKOSA-N 427.902 4.638 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1ccncc1Cl)C1CC1 1760472423 JQMIHXPBGVUMHL-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CC(=C)Br 1760479838 BVUUTRCZAFWITF-UHFFFAOYSA-N 440.389 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCC[C@@H](C)C1 1760497078 QQAPTWLQFARAQH-YADHBBJMSA-N 432.616 4.580 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](CC)O[C@H](C)C1 1760560246 QQSOAUMKHKMPGP-MOPGFXCFSA-N 437.613 4.725 30 10 IJEE C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 1763207039 BBTBXCGWQGUHIP-UZLBHIALSA-N 447.505 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC[C@@H](OCC)C1CCCC1 1772523143 OHVYGUKGOZQWCY-ZEQKJWHPSA-N 436.600 4.931 30 10 IJEE CN1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=Nc1nc(-c2ccccc2)cs1 1772737828 MBGSZVUHWJPCII-LXHPFOTCSA-N 436.493 4.505 30 10 IJEE CC(C)Oc1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)cc2/C=N\NC(N)=S)cc1 1857807127 VXDQWHFSFCFVAK-RAWMCFOBSA-N 447.486 4.512 30 10 IJEE C/C(=N\O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1 1860471709 BPERZIDNFAWMCG-BUVRLJJBSA-N 437.477 4.962 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861185627 ZDLIEWXDYCPENM-JTHBVZDNSA-N 447.639 4.799 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(O)c2)cc1C 1862400534 HCKUXGHUCXSHTR-NQKDMWHGSA-N 435.520 4.866 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862502035 PNFNABROVNVIIY-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C(C)C)cc1 1862524592 ILLSWWUTOOTDCF-IBGZPJMESA-N 428.326 4.998 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1F 1862526571 HIWZRBIPVCJTQU-QGZVFWFLSA-N 436.252 4.716 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862541648 PFXGKKGCDXDSOF-HSZRJFAPSA-N 435.520 4.809 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862619815 CRXGPGSLQVANSI-QFIPXVFZSA-N 433.504 4.520 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H](C)O)c1 1862656026 UTZIXWGEZRIWLV-BXKMTCNYSA-N 445.515 4.588 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)c1 1862674345 MFNXMYFVFCMERU-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(C)ccc3C)C2=O)cc1 1863022570 VGGITKBVHRVCGS-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCOC)=C(c2ccc(OCC)cc2)C1=O 1863568529 FMSYSIUYHNNVLH-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccccc1C 1865003288 SMHZUYLUCJYRKJ-NRFANRHFSA-N 442.563 4.511 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866699539 FVLDWDFENRJBTJ-LOSJGSFVSA-N 440.547 4.593 30 10 IJEE COc1cccc(-c2nc(Nc3cccc(C#N)c3)cc(N3C[C@@H](C)OCC3(C)C)n2)c1 1868495688 MMPMPQWUMONAJD-QGZVFWFLSA-N 429.524 4.771 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(CCCC)cc2)cn1CC=C 1870719744 VSGGYQDCFBRAHU-UHFFFAOYSA-N 449.595 4.568 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1ccccc1CC 1871173452 BZQSQZAKLUUCSG-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 1871422005 QYTUETDUYNBLHI-HMAPJEAMSA-N 440.492 4.822 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1OCc1cccc(Cl)c1 1873499920 VMOFJCHZHZJNGX-NUGSKGIGSA-N 442.850 4.709 30 10 IJEE COc1ccc2[nH]c(C(=O)O)c(/C=N/n3c(C)nnc3SCc3cc(C)cc(C)c3)c2c1 1873501842 RODFGQURZYFKOU-BHGWPJFGSA-N 449.536 4.566 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC(=C)C 1874297007 GLBLNMIDFXLVSL-BUVRLJJBSA-N 449.536 4.892 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1O 1874426804 BKJVHPGXFHDHNZ-MFKUBSTISA-N 443.532 4.572 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C(F)(F)F)cc1 1874459425 MPSFENCKZGXNCF-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2-c2ccco2)cc1 1874468439 IEKSPEPCHQECPF-BIKZULFDSA-N 445.548 4.698 30 10 IJEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874491482 UGLXQJGZQJNGEK-SSDVNMTOSA-N 445.932 4.918 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)cc1 1874493384 JOSIFRZOBNEGRS-BUVRLJJBSA-N 435.553 4.557 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)NC1CCCCC1 1874610975 VNERIMJAOVTHCV-WUXMJOGZSA-N 442.899 4.972 30 10 IJEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3OC)ccc2OC)cc1 1874714145 GMPNEEQCFSYUAD-WLRTZDKTSA-N 448.471 4.836 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)CC(C)C 1875195220 ULQIFWXHBAAASN-JXMROGBWSA-N 428.481 4.569 30 10 IJEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 1891187246 FJCWEBKZKYLLBF-GFCCVEGCSA-N 437.315 4.944 30 10 IJEE C=CCOCSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320780 NKRJNRKPFNQKAS-NRFANRHFSA-N 441.549 4.650 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)cc1F 1895030913 YLIRKHHZOFQRCA-DLBZAZTESA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CC2 1925719141 FEDRPUVHQIMPBS-JOCHJYFZSA-N 433.574 4.921 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1997643813 SYYWICACLTXUKJ-QLCVBSLISA-N 427.545 4.967 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12CCC[C@@]1(F)CN(C(=O)OC(C)(C)C)C2 2004736372 UUTRLGAPRBYSBQ-GVXSCFBNSA-N 432.580 4.867 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 2038295812 DCLBHTZBVGLFOK-XKPFWTEKSA-N 443.544 4.728 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(Cl)c(Br)c1F 2047969841 FENFTAWXOZXQPW-KGLIPLIRSA-N 435.765 4.971 30 10 IJEE CCOP(=O)(OCC)c1cn(Cc2cc(C(F)(F)F)ccc2F)nc1C(F)(F)F 2080379637 DVKWBGHQRNHBLE-UHFFFAOYSA-N 448.275 5.000 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2082165584 LOHXXUUQQVEZJN-DUOVIKOCSA-N 446.632 4.572 30 10 IJEE C[C@@H]1C[C@H](CNc2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2115833129 QSKQPXJPOHZCAP-CHWSQXEVSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1cccs1 2124724382 PWJRIKPMFYKUFY-HNNXBMFYSA-N 436.331 4.587 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c1 2132675958 JQZBHRXPTWHERS-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2145545353 YGKNPJLMLILYDW-MOPGFXCFSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCC2)N(c2ccc(C#N)c(Br)c2F)C1 2193439264 MHINSLFSKQOGRH-CQSZACIVSA-N 438.341 4.876 30 10 IJEE CN[C@H](C#Cc1cccc(Cl)c1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2216977676 POHVCGQCMDENPF-NMNUPHIUSA-N 442.987 4.778 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2235745190 BJFWUHBQPKTJJQ-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE C=C(c1ccccc1)[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237392255 YNOUCZGHVUJACG-UXHICEINSA-N 432.358 4.959 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)C=CCCN1C(=O)OC(C)(C)C 2239435373 DYPTXEUPSLUIPF-KNQAVFIVSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccccc2Br)C[C@H]2CCCC[C@@H]21 2279534194 AEGKYKUFKQXUBA-LZNRXBQRSA-N 433.390 4.698 30 10 IJEE C=CC[C@@]1(COc2cc(OC)c(Br)cc2N)CCCN1C(=O)OC(C)(C)C 2287691324 TZZVDEQHCCOHHR-FQEVSTJZSA-N 441.366 4.765 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@H](O)C#Cc1cccc(Br)c1)C1CCCC1 2296232883 REVGZRUSXCTWSV-AZUAARDMSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)NCC1([C@@H](N)C#Cc2ccc(Br)cc2)CCCCCC1 2296305560 VQVOHRDQSLJPAD-IBGZPJMESA-N 435.406 4.993 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CCCC1 2296310358 IXMLNUHRTUYLFD-IBGZPJMESA-N 435.406 4.864 30 10 IJEE O=C(C=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccco2)c1 2314523522 XVLCBNKWYBRBLR-UHFFFAOYSA-N 428.404 4.726 30 10 IJEE COc1ccc(C=NN=C2SC(=Cc3ccccc3O)C(=O)N2Cc2ccco2)cc1 2314818124 AFBZLDUCXXIVJW-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE CCCOc1ccc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1[N+](=O)[O-] 2318418017 NDLZFEUJELKBAG-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE N#Cc1nc(-c2ccccc2)oc1NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2320834011 ZBPVNZJRGZCGJB-UHFFFAOYSA-N 437.459 4.677 30 10 IJEE COc1ccc(Cc2nnc(S)n2N=Cc2cccc(OCc3ccc(F)cc3)c2)cc1 2322016500 ZOZLAELXENSJIB-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2OCC)cc1 2322192761 INLMRBBTLGKOSZ-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE Cc1c(OC(=O)COc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2322948797 VNZYSGHXBOWVQR-UHFFFAOYSA-N 431.400 4.504 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2Cc2ccccc2)c1OCc1ccccc1 2323511224 DQDWPXVNKDTUNC-UHFFFAOYSA-N 430.533 4.627 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)c1 2323895838 YQCCUPDVDBNTGO-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)c1 2325019608 KJWKYQIIGAZRHN-GOSISDBHSA-N 443.499 4.876 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3C)c2C)C1=O 2325714195 VWPXBQUAWNTOKT-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2cccn2C)cc1 2328577453 ZHTDYAWCWUOHKW-UHFFFAOYSA-N 449.555 4.724 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(C)c1 2330050573 VGBLTYNXCDWYMA-IBGZPJMESA-N 435.597 4.581 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1)c1cccc([N+](=O)[O-])c1 2330627860 GVRNIRSASODIRZ-UHFFFAOYSA-N 430.254 4.959 30 10 IJEE CCCSc1nnc(CC(C)(C)C)n1N=Cc1cc(Br)cc(OC)c1O 2330860224 CAOOZAXGAFAORD-UHFFFAOYSA-N 441.395 4.728 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2C2CCCC2)c1 2331098038 XNVDMFWULFMACL-UHFFFAOYSA-N 433.581 4.535 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1O 2331150506 NEPQPYZBOCZUOZ-UHFFFAOYSA-N 428.823 4.536 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1c[nH]c2ccccc12 2331630582 LQIGLAOHUAIYJL-UHFFFAOYSA-N 446.580 4.942 30 10 IJEE CCN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(Cc2ccccc2)C1 2339535971 HEKSXGRSSMISOZ-HSZRJFAPSA-N 433.405 4.827 30 10 IJEE C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339537624 QZBSPNJIGROKKT-AXDNMFEOSA-N 433.405 4.827 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2339680176 UEITVOINEFRYMM-IAGOWNOFSA-N 427.383 4.886 30 10 IJEE COc1cc(COc2cc(Br)cc(I)c2)ccc1C#N 2364048885 PPMMNFXWCIEALK-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2365228458 PSRKGTMREKCTAV-QZTJIDSGSA-N 439.394 4.723 30 10 IJEE Cc1scc(C(=O)NCc2cc(Cl)sc2Cl)c1B1OC(C)(C)C(C)(C)O1 2369531452 YUALTHQITAPITB-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C#CCOc1c(Br)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC 2972434 JRAXZXQUFNMJGV-SFQUDFHCSA-N 444.306 4.711 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2ccccn2)cc1 5921601 FCYBUWAPKSAWGZ-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N1CCSc2ccccc21 32785728 PVLROURZVZJAFK-KRWDZBQOSA-N 436.606 4.674 30 10 IJEE COc1ccccc1/N=C1/S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1CCCSC 33744792 FAMHJGNOTHYJSR-KIOXBDSISA-N 443.550 4.961 30 10 IJEE C=CCOC[C@H](O)CN(Cc1ccccc1)Cc1c(-c2ccccc2)noc1N1CCCC1 36156245 BDTNETPEFKLYLV-XMMPIXPASA-N 447.579 4.508 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)COc1cccc(Cl)c1 40844637 RLTUFVJXURTADX-UHFFFAOYSA-N 448.858 4.796 30 10 IJEE COc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)ccc1OCc1ccccc1C 64981475 SURKNXSVIKXODN-VULFUBBASA-N 438.491 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1nc2ccccc2n1Cc1ccccc1C#N 95085759 CEYUZAHGFUPYTK-HXUWFJFHSA-N 431.540 4.768 30 10 IJEE COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2C)cc1Cl 100293046 HZNPMPCGUOOWKE-GLEDVZQVSA-N 431.945 4.556 30 10 IJEE C=CCc1c(C)nn(C(=O)COc2c(C)cc(Br)cc2Br)c1C 100459745 PIGNUCCVNNPYKO-UHFFFAOYSA-N 442.151 4.781 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3)N(CC)C2=O)cc1 102406614 GROKCKCBMCEKEA-QAYQYMSWSA-N 431.945 4.719 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929425 OSRCNVFZZMCQPJ-NRFANRHFSA-N 448.406 4.525 30 10 IJEE CCOc1c(Br)cc(/C=C2\CN(Cc3ccccc3)CCC2=O)cc1OC 169942655 ARPRORXIDTXXDB-WOJGMQOQSA-N 430.342 4.715 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(O)cc1 169962264 YCVDUUCMKLYIMY-XMMPIXPASA-N 429.472 4.503 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170059292 IYWGWXRPJQVRER-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(F)cc2)ccc1F 170065725 AZKPCNUSGZCBPH-OAQYLSRUSA-N 445.425 4.932 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccc(O)c2)cc1 170083453 SCYVFXBIYYFFLK-JOCHJYFZSA-N 439.471 4.614 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccs2)c1 170156058 VHKLVOCEPNLSGL-QFIPXVFZSA-N 447.512 4.919 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccs2)c1C 170158906 FSPFXJGDJDLFBD-OAQYLSRUSA-N 433.485 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170178006 NTRJCNBRUNMKJM-SFHVURJKSA-N 429.259 4.760 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)c1 170196947 MLAFELKVNUCUPF-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)ccc1Cl 170206139 NLSAYXKZIWCQBH-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)c1 170223747 WZBIPVOIEFEWMB-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cn(C)c2ccccc12 170269616 BMWKEISYHPKUJI-NRFANRHFSA-N 438.911 4.829 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)cc1OC 170271767 HLWLEZXICXPYAE-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)cc1Cl 170281637 OHRHGEATVQCMIA-IBGZPJMESA-N 427.815 4.864 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2CCCC)c1 170324143 JQSKJAMAPBAVPH-QHCPKHFHSA-N 435.520 4.947 30 10 IJEE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)cc1 170373756 SULOXAZHYNVDGJ-OAQYLSRUSA-N 431.444 4.629 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cn(C)c3ccccc23)cc1 170394786 BRIDKTGXJIIMPA-XMMPIXPASA-N 437.499 4.919 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cccc(OC(C)C)c2)c1 170432048 NQCMTSRUPFTHDW-JOCHJYFZSA-N 437.536 4.993 30 10 IJEE CC(=NOCc1nc2ccccc2c(=O)n1N=Cc1cc2ccccc2[nH]1)c1ccccc1 254745350 NWWSQGCYDSQWPL-UHFFFAOYSA-N 435.487 4.701 30 10 IJEE CC(=NN=C1S[C@H](CC(=O)O)C(=O)N1c1ccc(C)cc1)C12CC3CC(CC(C3)C1)C2 263631665 ZVWUJLFIMHZQIL-GXYHREHHSA-N 439.581 4.866 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Br)c2)n1C[C@H]1CCCO1)C1CC1 460916929 HHDZWNQIYCXIIX-DNVCBOLYSA-N 447.377 4.514 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCc1nccs1)C(C)C 460930884 INLUOLKCNBXCOO-UHFFFAOYSA-N 435.395 4.526 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 476085719 SHAXVYCPBJVENI-IBGZPJMESA-N 446.638 4.948 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1c(F)cccc1F 489659385 FGUCTKJDEDTETA-OAHLLOKOSA-N 444.507 4.749 30 10 IJEE C=C(C)CN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(OCC)cc1 586146559 ATUXJYKIOAKSLI-UHFFFAOYSA-N 447.597 4.692 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586254968 WXGRNVAOGFGSEP-UHFFFAOYSA-N 436.533 4.750 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccccc1F 586257697 JVMOAVPVHQGRSB-UHFFFAOYSA-N 430.888 4.755 30 10 IJEE CCN(C(=O)Cc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1)c1ccccc1 609253447 LKZYBPOFBHQVDW-UHFFFAOYSA-N 430.483 4.615 30 10 IJEE C=C([C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(F)(F)F 693673926 XAPUGUUSKBUWEY-SIKLNZKXSA-N 441.538 4.643 30 10 IJEE CC(=O)c1c(C)[nH]c(-c2csc(=Nc3ccccc3C#N)n2Cc2cscn2)c1C 747603677 VZHJGXSAIQQGHI-UHFFFAOYSA-N 433.562 4.973 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C(C)=C/c1ccc(Cl)cc1 758872923 IPPFWQLIIUQYKU-IWLLYFRBSA-N 426.900 4.630 30 10 IJEE C[C@H](OC(=O)[C@@H](C)CSCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 773218879 GQYWSYXLCXQYON-GJZGRUSLSA-N 428.579 4.548 30 10 IJEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(-c2cccc3ccccc23)n1 778296662 BGNKDCUPWMTYDP-GOSISDBHSA-N 427.485 4.933 30 10 IJEE C=CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 779747158 SQGBCGREDVCKGF-IBGZPJMESA-N 443.956 4.503 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 802556710 YTXUKFGRCWBJDS-AZUAARDMSA-N 443.592 4.861 30 10 IJEE Cc1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCOC2)c(C)n1-c1ccccc1 802761534 OCSJFMSVUOQFSA-NRFANRHFSA-N 444.583 4.519 30 10 IJEE C#CC[C@@]1(C(=O)OCc2nc(-c3ccsc3)oc2C)CCCN1C(=O)OC(C)(C)C 808598376 PXBBWIZLGVPTFZ-QFIPXVFZSA-N 430.526 4.548 30 10 IJEE C=CCn1c(CCN2CCCCC2)nn(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1=S 812297527 JJUCTIMSBDBOBP-MSOLQXFVSA-N 445.599 4.639 30 10 IJEE C=CCOC(=O)/C=C\c1ccc(OCc2ccccc2F)c(I)c1 1084443139 XEZMBBMAWIKLMO-NTMALXAHSA-N 438.236 4.752 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1Br 1124410131 FYDZEQCOIIHDSP-UHFFFAOYSA-N 444.510 4.754 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1125552954 XTWWQWGXVXQVBH-PGRDOPGGSA-N 442.346 4.599 30 10 IJEE COC[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(Cl)cc1 1129141672 HZDNGSCCIXQLAP-JOCHJYFZSA-N 434.923 4.951 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccc(F)cc1 1129603157 NWHCSISEKWNGLD-XMMPIXPASA-N 425.463 4.791 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccc(Br)cc1 1129731869 ZVLJDMJONBNELT-MRXNPFEDSA-N 433.277 4.955 30 10 IJEE C#CC[C@]1(C(=O)OCc2cc(C)ccc2Br)CCCN1C(=O)OC(C)(C)C 1131596862 YQFSAYMKCXGJLT-OAQYLSRUSA-N 436.346 4.594 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1138160159 NAKDCIDFLTWZAU-IBGZPJMESA-N 442.540 4.513 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4ccc(F)cc4F)CCCC3)n[nH]2)c1C 1138347969 AZZNSNWHHPRJIX-UHFFFAOYSA-N 439.510 4.596 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)nc2sc(C)c(C)c2c1=O 1164584202 VKWIPHQRRVBVDP-INIZCTEOSA-N 427.595 4.997 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2ccn(CCOC)c2c1)c1ccc(Br)cc1 1202580801 FYCFYXFMYYBHJB-LJQANCHMSA-N 426.314 4.546 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 1251830690 KXMNFJSOZBUFFH-HXUWFJFHSA-N 441.959 4.593 30 10 IJEE COC(=O)c1c(F)cccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1265015825 DAFAJVKBPGWCIA-UHFFFAOYSA-N 439.283 4.667 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 1275389212 HEGSKJOGSOVLCN-FQEVSTJZSA-N 439.350 4.600 30 10 IJEE C#C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Br)cc1 1275464627 NYPBCMODBYPCJV-FQEVSTJZSA-N 435.277 4.597 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@@H](SCC)C1 1286346859 DAOHFNVRNRCIOI-JOCHJYFZSA-N 434.613 4.656 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)c1ccccc1 1286438742 CURAXTXIPNJQRL-INIZCTEOSA-N 445.386 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)Cc1ccccc1 1286569577 VLLOCCVTUNPMOQ-LJQANCHMSA-N 439.007 4.916 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1286571620 PJQYLCLKPFSFAW-SFHVURJKSA-N 429.528 4.596 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCCCn2ccnc2C)CC1 1286650148 YIDAODLZYIYDBN-UHFFFAOYSA-N 434.588 4.561 30 10 IJEE C=CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CCC)c1ccccc1 1286679298 NHNNOBOFZUQDLG-AZUAARDMSA-N 435.572 4.991 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cc(C)no2)CC1 1286684206 GSWATHMHMCWZMA-UHFFFAOYSA-N 440.979 4.573 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1286691223 WUNGLIIZLPVZKJ-UHFFFAOYSA-N 426.605 4.822 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286695620 DJGSBVFNFXCVCV-VQTJNVASSA-N 441.620 4.626 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)Oc1ccccc1 1286753575 DWYZANGSCSICHQ-MRXNPFEDSA-N 442.361 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N(C)C 1286756047 PAUWGGRTHOAIAF-IBGZPJMESA-N 429.927 4.812 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286771688 HXGHQAFMXPTWKP-OAHLLOKOSA-N 449.958 4.617 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1286831233 WKDHPBKOZGTQDY-NFBKMPQASA-N 439.673 4.954 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C)s2)cc1 1296798189 FOLAPRIIQYZVOZ-FUHWJXTLSA-N 439.585 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1OC1CCCC1 1300286308 HQQZIEOLMVUCBA-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C)=C(Br)C1 1300373201 RWJZEUAHPUHLQH-UHFFFAOYSA-N 447.352 4.679 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1csc(C(C)C)n1 1300431245 VSNMEIOCMXMZIK-INIZCTEOSA-N 444.004 4.964 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CCC)CC1 1300656490 HZDMHQCWZQTEEU-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]1C 1300877542 WIKMGNLSBIRAFM-NOXFTYBFSA-N 440.588 4.712 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1300982104 AOQGAYJZOXCLOZ-WOJBJXKFSA-N 432.996 4.831 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C2CC2)C1 1301019090 FXASYDOSGUTMJH-CYBMUJFWSA-N 425.733 4.836 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(F)(F)C2)CC1 1301069927 HYWQXIVVHBSMOH-ZDUSSCGKSA-N 426.309 4.628 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCC2)CC1 1301096675 AIQBGNAHVZYYRH-UXHICEINSA-N 427.593 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](COC(C)C)C1 1301144185 YELHOOWODNWTKC-HXUWFJFHSA-N 438.572 4.924 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301211962 PKIWVRVPSQMLMJ-LJQANCHMSA-N 425.577 4.713 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCc1ccc(OC)c(F)c1 1301359229 IGCIMUXPYXGMCB-UHFFFAOYSA-N 449.555 4.985 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC1CCC(OC)CC1 1301410664 KAIJYWRQGKXIJR-UHFFFAOYSA-N 435.572 4.682 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1301452452 OFEAKRKXLRDYIT-PKOBYXMFSA-N 443.567 4.915 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](CCOC)C2)CCCC1 1305912299 FQBDAMPMALOHOL-NRFANRHFSA-N 437.588 4.562 30 10 IJEE CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cc(C#N)ccc1Br 1307449556 GNSADQNOSGWFGK-UHFFFAOYSA-N 427.321 4.915 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 1309082226 WVGWWIBATRBFLV-UHFFFAOYSA-N 441.380 4.509 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c(Cl)c1 1311262717 FYCCKTOCYCUILS-HXUWFJFHSA-N 440.931 4.542 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCc2ccccc21 1311813794 UHUIYQOMTYPYBD-LSWJPFSZSA-N 439.600 4.744 30 10 IJEE CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1312188629 DCPTVEYXIGAXIJ-QFIPXVFZSA-N 438.547 4.715 30 10 IJEE N#Cc1ccc(CNC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1Cl 1312580813 GCSDSKAHTSBSAV-INIZCTEOSA-N 432.749 4.748 30 10 IJEE COC1(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@H](C)C#N)CCC(C)CC1 1315274267 CXCZKTUZEKCQKQ-FAFRJYIDSA-N 432.572 4.684 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ccccc2OC(F)(F)F)cc1 1351529333 WQAWCTMOIISWHX-UHFFFAOYSA-N 432.442 4.971 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc(F)c2SC)c(C(=O)OCC)c1C 1352793455 PJLNOOGJPOORLX-UHFFFAOYSA-N 437.514 4.689 30 10 IJEE Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(Sc4ccccc4C#N)cc3)C2=O)cc1 1354584090 IECHUUMSZQCCBZ-HSZRJFAPSA-N 441.556 4.943 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc2cc(Br)ccc2o1 1356181172 FVHIUEBUWSKFKS-UHFFFAOYSA-N 445.265 4.938 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358878737 CNLCHYJMNPWVRF-SJORKVTESA-N 445.995 4.559 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1358922063 RWNQUPUELXVWKR-LJQANCHMSA-N 442.336 4.930 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](CCC)OC 1358986910 LLSVACXFUGIQJS-OAQYLSRUSA-N 447.608 4.655 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCSc1nccs1 1359005772 VMWYKYWIBXQJSG-UHFFFAOYSA-N 434.594 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1Cc1nc(C(C)C)cs1 1359071298 LQWXZNLYACSSRM-HSZRJFAPSA-N 441.551 4.767 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1359162718 BDTVRHTZJKVCDY-UHFFFAOYSA-N 443.473 4.794 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1359197197 HEALUQBPSSZLAY-IBGZPJMESA-N 434.544 4.779 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OC 1359275198 MXEBNXYRRBRBQA-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CCC(C)(C)C)CC1 1359284717 IUSKWWLWMJEBFA-SFHVURJKSA-N 427.662 4.876 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1359285408 FTGVVCJYGBJCDA-NVXWUHKLSA-N 449.393 4.544 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(F)cc(F)c1 1359338958 NSICWEOCPKSJES-UHFFFAOYSA-N 435.931 4.827 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1CC 1359343743 ZSDYBVFCWUUQHK-IBGZPJMESA-N 449.665 4.691 30 10 IJEE C/C(=C\c1ccccc1)CN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 1359348129 AJQKRIIGHSWACM-LDADJPATSA-N 429.549 4.983 30 10 IJEE C[C@@H](Oc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1)c1ccccc1 1360123218 HYULVZTUZVYOCZ-BWKNWUBXSA-N 425.532 4.677 30 10 IJEE C#CCN(C(=O)CCCOc1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1360552541 VNFNFHFPQSBXAA-NRFANRHFSA-N 442.353 4.902 30 10 IJEE C=CCn1cc(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4s3)cc2)nn1 1435457361 AMHRJMFWLBZPBV-UHFFFAOYSA-N 440.326 4.756 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)Oc3c(C)nn(CCC#N)c3C)c2)cc1 1439962440 DCHZKXXTXZSFNX-UHFFFAOYSA-N 445.519 4.733 30 10 IJEE C=CCn1c(SC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1-c1cccc(OC)c1 1458980346 GWIHARAJRAERHI-KRWDZBQOSA-N 444.601 4.879 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCc3c(F)ccc(Br)c3C2)c1C 1460170786 HBMLQXQTDHPZHE-UHFFFAOYSA-N 444.348 4.510 30 10 IJEE COc1ccccc1C1(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCCCC1 1463833969 CSRBKNACMHBECC-UHFFFAOYSA-N 431.580 4.503 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1)[C@H]1CCCc2ccccc21 1464972100 NUPRCPBSKGRIKO-QHCPKHFHSA-N 431.536 4.618 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)c1 1466030355 TUQLJASAWCPJMY-QFIPXVFZSA-N 447.000 4.856 30 10 IJEE Cc1csc(NC(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c1C#N 1466472035 AAMXZFFCPOSDSW-OAHLLOKOSA-N 437.365 4.519 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@]2(C1)CC(F)(F)C2(F)F 1466816319 JNXOKFKOLWXISS-OAHLLOKOSA-N 437.231 4.912 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@@H]1C 1468869289 WVWDZBBOLVDVQB-SQWLQELKSA-N 433.350 4.621 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(F)ccc2NC2CC2)nnc1-c1ccco1 1470909374 ZTXOLCWFDBPOLT-UHFFFAOYSA-N 427.505 4.558 30 10 IJEE C=CCn1c(SC[C@H](OC)[C@@H]2CCOC2)nc2scc(-c3cccs3)c2c1=O 1472917552 ITWLZWGKOIFLKS-HIFRSBDPSA-N 434.608 4.516 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1)c1ccc(Br)cc1 1478579074 XAYVVZVVNVHYIZ-UNMCSNQZSA-N 434.337 4.916 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 1478963939 DPVZYAKMFMOQDA-OXJNMPFZSA-N 438.385 4.550 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(C)(C)SC)cc1OC 1502806012 CEVDPQCHEXRSLO-QHCPKHFHSA-N 443.617 4.624 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1507559672 WNLKUVCJYAFRAO-VXKWHMMOSA-N 435.616 4.578 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C 1507697879 DQWAYGJFVJPVEH-HXUWFJFHSA-N 446.064 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCc1cccs1 1507807386 VORNXCWWDOULNZ-XXBNENTESA-N 440.588 4.730 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCc2ccc(Br)cc2C1 1507832759 MVHDGYVMNVCECB-UHFFFAOYSA-N 429.387 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@H](COC)C1 1507910871 FHMOLUWYRHFUML-IBGZPJMESA-N 440.588 4.572 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1507924553 OYCJMSLQJOKFCJ-UPVQGACJSA-N 448.615 4.866 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1507929720 UPUCLTIKZUQDJD-FQEVSTJZSA-N 443.599 4.894 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507971736 BWJKTSFJEXFISI-QGZVFWFLSA-N 433.547 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1cccc(Cl)c1C 1508006306 ASYOEHDMYMYASZ-UHFFFAOYSA-N 438.988 4.943 30 10 IJEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CCCS1 1510343467 FHFMXQWUPSLOSU-YLJYHZDGSA-N 435.519 4.881 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)n1 1511148087 DWMBISKIKJQCRM-UHFFFAOYSA-N 438.938 4.814 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](SC)C(C)(C)C)C[C@H](C)O1 1514137471 GZSZQTWGYNNXTI-DBVUQKKJSA-N 427.618 4.598 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C(=O)NC(C)C)cc1 1529485759 OFLYZMUHZLTPBU-UHFFFAOYSA-N 433.321 4.555 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCC2(c3ccc(Br)cc3)CC2)cc1OC 1534267299 JUIBMWXQBSNDFE-WZUFQYTHSA-N 442.353 4.884 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCCCCC2)nc1 1538973747 OVLIXZVYDNGABI-LJQANCHMSA-N 449.002 4.880 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC(CC)(CC)OC 1538991793 DTWMGCCNZVGHNS-CQSZACIVSA-N 437.357 4.510 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1539278746 KLRRMBPUTIJOPV-CVDCTZTESA-N 443.016 4.644 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)[C@H]1CC 1539600922 VCNMMQVSYNRMOI-YVEFUNNKSA-N 425.321 4.681 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1539752677 VWOSRLUGZTVJPE-OAQYLSRUSA-N 441.576 4.707 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539842663 XRUPVHXGDFJKKF-CTNGQTDRSA-N 437.588 4.747 30 10 IJEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1539971529 JKCAUBMHGQKMAD-JXFKEZNVSA-N 447.505 4.863 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 1540029704 XDWKGTQLAJNKEY-UHFFFAOYSA-N 433.581 4.855 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]2C(C)(C)C)c1 1540247920 FSJLEWXLUUXRCG-NRFANRHFSA-N 447.000 4.982 30 10 IJEE C=CC1(CC(=O)Nc2cc(C(F)(F)F)ccc2OCC)CN(C(=O)OC(C)(C)C)C1 1542266864 VTHFJMLDGVJLCX-UHFFFAOYSA-N 428.451 4.856 30 10 IJEE COCCC1(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1555442507 HMALKMPRSOGNNI-VWLOTQADSA-N 435.616 4.790 30 10 IJEE C=CCn1c(SCOC(=O)N(CC)CC)nc2scc(-c3ccccc3)c2c1=O 1559330710 MEDIIPJVEMAODY-UHFFFAOYSA-N 429.567 4.839 30 10 IJEE C=C(Cl)C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)OCC 1560967872 RKCRXPQPSYEZDC-NRFANRHFSA-N 427.907 4.842 30 10 IJEE Cc1ccc(N(CC(C)C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)cc1 1561668134 CEZPCLSONXQQER-UHFFFAOYSA-N 425.323 4.620 30 10 IJEE C=C1CCN(C(=O)Nc2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)CC1 1562793831 ACTCPQFSYRPOCG-UHFFFAOYSA-N 427.570 4.866 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@](C)(CO)c1cccc(Br)c1)c1ccc(F)c(F)c1 1564595668 CJAMBVNJKAVNIV-AZUAARDMSA-N 439.300 4.551 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)C1 1570817356 WQYRSKMZYQJWFW-IBGZPJMESA-N 438.593 4.579 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CC)[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1OC 1583057236 OJUVVQQIGJWGRT-HGSJELCMSA-N 434.580 4.957 30 10 IJEE Cc1ccccc1Sc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 1585916366 BRGDRRCDSIDPCG-HSZRJFAPSA-N 427.573 4.996 30 10 IJEE N#Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1Br 1587164050 BIUITUBPDIGLKE-UHFFFAOYSA-N 426.133 4.814 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCc2ccccc2)CC1 1587723588 ODARVKNBCWDMGP-UHFFFAOYSA-N 449.986 4.983 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](C)C1 1587787753 QHMOLPCKBWUNQT-IYBDPMFKSA-N 437.371 4.581 30 10 IJEE CCCSc1cccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 1587821069 FAWCYTJWIYZEPB-UHFFFAOYSA-N 437.525 4.558 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 1588271924 RGKXVRZZZOTTSZ-OAQYLSRUSA-N 447.549 4.554 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCCSc1nccs1 1588481142 GMESSRZHQYNKCC-UHFFFAOYSA-N 427.574 4.573 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1588974815 BZDCONDAZKSIIK-GOSISDBHSA-N 439.412 4.653 30 10 IJEE C=C(Br)Cn1c(N2CCC(Oc3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1589459946 HVGCADQPJZOANW-UHFFFAOYSA-N 449.393 4.541 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@](C)(CC)O1 1589608120 BZMQLOULELVCKI-JXFKEZNVSA-N 436.398 4.786 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC)[C@@H](C)C1 1589708849 XRDBGCWNAZOLET-OALUTQOASA-N 432.012 4.795 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1593746363 CIDYTJBBKHJUND-LADGPHEKSA-N 437.632 4.518 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCOC(F)(F)F)CC1 1594064577 QYPIZZSUUFDNIY-UHFFFAOYSA-N 430.858 4.690 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1SCCc2ccccc21 1594559879 SFNCEDWXYQAONI-QFIPXVFZSA-N 434.613 4.948 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1594646301 VJDLKJQTUANGPT-QHCPKHFHSA-N 426.561 4.524 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC=C(C(C)(C)C)CC1 1594824284 FHWSYDWBMDTNBS-UHFFFAOYSA-N 428.552 4.772 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@H]1C 1595085020 OHAVPHRZXMBCSX-NFBKMPQASA-N 431.584 4.901 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCn2ccnc21 1595178317 IZGOAEHYAGRJQE-RBUKOAKNSA-N 436.535 4.510 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccccc2Br)CC1)c1ccc(Br)cc1 1596985651 STNDCSNEKCGEHQ-KRWDZBQOSA-N 433.143 4.734 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1 1611027131 ZZJVDPIOPRLMDB-MRXNPFEDSA-N 440.956 4.535 30 10 IJEE C#CCCOc1ccc(CNC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1 1620782781 GTPSOPSLCQWTJK-XMMPIXPASA-N 426.988 4.684 30 10 IJEE C=CCn1cc(CNCc2ccc(Br)cc2Oc2cccc(Cl)c2)nn1 1620978071 SIFWAPFVJTUADE-UHFFFAOYSA-N 433.737 4.962 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cc(Cl)cc(C(F)(F)F)c3)C2=O)cc1 1623854292 HPASGABQUHSVQM-KRWDZBQOSA-N 436.821 4.548 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(OC)ccc1OCCCC 1624344323 YWHXEQMWXLCRQT-QGZVFWFLSA-N 426.941 4.849 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C 1626553926 LZZCDFWVUFOQEG-KRWDZBQOSA-N 443.357 4.748 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CCCC1(C)C 1635479181 XQJOKRGJODJWAG-UTKZUKDTSA-N 428.527 4.919 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(=O)OCC 1636821321 FSUIQRAWAAREDC-QUCCMNQESA-N 446.341 4.583 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)c1ccc(Br)cc1 1647998142 JSPFXBJFWKPEOT-YJBOKZPZSA-N 439.394 4.918 30 10 IJEE CC(=O)c1cc(Br)cc(F)c1OCc1c(C#N)c(C)nn1-c1ccccc1 1651917610 GTAVZQWHZMYUIP-UHFFFAOYSA-N 428.261 4.736 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1652287045 FDVODPALVSYJBV-HXUWFJFHSA-N 429.564 4.979 30 10 IJEE C=CCn1c(SCc2cnc(Br)c(C)c2)nc2cc(Cl)ccc2c1=O 1652365732 IWYXNEZIUJLVAN-UHFFFAOYSA-N 436.762 4.994 30 10 IJEE C=CCn1c(SCOC(=O)C2CC2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1652412747 ZSNQSFMUYYRUAT-UHFFFAOYSA-N 430.526 4.761 30 10 IJEE C=CCn1c(SCCOc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1655969695 DFFDGIQANIBJGG-OAHLLOKOSA-N 437.590 4.812 30 10 IJEE C=CCn1c(SCc2occ(C(F)(F)F)c2C(=O)OCC)nnc1-c1ccccn1 1656355416 IDWFKMJKIQGEHB-UHFFFAOYSA-N 438.431 4.607 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2-n2nc(C)cc2C)cc1 1658307086 BKRQSCDCWPVNTK-UHFFFAOYSA-N 442.441 4.842 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1658618769 DDCNIVWLELBUAM-MRXNPFEDSA-N 447.322 4.581 30 10 IJEE Cc1cc(Br)c(Cl)cc1S(=O)(=O)N[C@H](CCC#N)c1ccccc1 1661009184 FDCWEMQTECIBFD-MRXNPFEDSA-N 427.751 4.734 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 1668489712 HHKBSCUYBIOEPH-PXNSSMCTSA-N 433.371 4.559 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Br)cc1C)c1ccc(Br)cc1 1669099367 WTUAQTDWLVBZCZ-KRWDZBQOSA-N 436.147 4.694 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1nc2ccc(I)cc2s1 1669102556 IBBZXHHRPFCGMA-UHFFFAOYSA-N 447.301 4.568 30 10 IJEE N#Cc1ccc(NC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1C(F)(F)F 1669465526 DKPHVDXDFYTEBX-UHFFFAOYSA-N 431.414 4.939 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 1669541106 MNJVZDPVXZZJIO-INIZCTEOSA-N 433.346 4.623 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCCC(=O)NCc2ccccc2)cc1 1671433434 HOMJXAGFCDEYAG-UHFFFAOYSA-N 430.533 4.537 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1673851423 UIZGVDPFPFYAJW-SFHVURJKSA-N 435.446 4.715 30 10 IJEE COc1cccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2)c1 1676876049 GUWSCFGSELYGID-DVECYGJZSA-N 440.547 4.873 30 10 IJEE COC(=O)c1cc(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)cc1Br 1677392032 BNEMQHFWAHSJLQ-GOSISDBHSA-N 442.313 4.615 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1)c1ccc(F)cc1 1678205703 ORTZLZDSOWDPRF-XZOQPEGZSA-N 432.495 4.800 30 10 IJEE Cc1ccc(C[C@@H]2CCCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)C2)cc1 1680622057 BQVLPVMMJFHMNE-KHRZNOOSSA-N 432.568 4.616 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)NCCc3cccc(-c4ccccc4)c3)CC2)nc1 1680627611 HRXFGNSPLPRILJ-UHFFFAOYSA-N 440.547 4.852 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@](C)(c2ccc(Br)cc2)C(C)C)cc1 1682560452 SXSLBSMEQDOXCD-JOCHJYFZSA-N 429.358 4.832 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 1682689852 HLTLUQPKSLAJSP-NHCUHLMSSA-N 427.589 4.795 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1683051780 SLLWJVSDFNRPLT-BHIFYINESA-N 427.589 4.810 30 10 IJEE C#C[C@@H](NC(=O)N1CCOc2cccc(Br)c2C1)c1ccc(Cl)cc1F 1683516927 LSBPFGWAOAGADC-QGZVFWFLSA-N 437.696 4.520 30 10 IJEE C=CCC[C@@H](NC(=O)NCC[C@H](N(C)C)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1685820573 YZRJIZRFPRWMFU-CVEARBPZSA-N 425.417 4.895 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1690231426 BNEMKENMFQXPOT-OAHLLOKOSA-N 436.423 4.542 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(CC)C1 1690243004 GIMMKIGXKNCIHU-DHJUGAMNSA-N 430.980 4.585 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCc2nc(C(C)(C)C)cs2)CC1 1690412879 AFAXXXBRAOFSEZ-UHFFFAOYSA-N 436.629 4.663 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690453860 LOYMBGYGVPISLJ-FDDCHVKYSA-N 430.980 4.729 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1690510917 JQKBTKWGOKTASU-WOJBJXKFSA-N 426.605 4.982 30 10 IJEE C=CCN(c1nnc(-c2ccc3ccccc3n2)n1CC[C@H](OC)C(F)(F)F)C1CC1 1690540896 GAADBIFRBNCFSY-IBGZPJMESA-N 431.462 4.616 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1OC 1690586877 VLFJCKQTPOANAA-MJGOQNOKSA-N 431.378 4.701 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690738525 PYYJUTANQQFFOF-QGZVFWFLSA-N 433.021 4.649 30 10 IJEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(C3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1694210925 DTPNRODGIGWSHK-BCHFMIIMSA-N 448.615 4.642 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCOC(C)(C)[C@@H]1C 1705509913 PRBXJHMEFGAHHF-ROUUACIJSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705510018 MVUTXDPTMCYWMQ-JTDSTZFVSA-N 438.469 4.995 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)N1CCCCC1 1705576377 JZPYEMWTRSKOHD-UHFFFAOYSA-N 444.410 4.589 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1Cc1cscc1C(F)(F)F 1705577542 KDPJFHFGKDYZOI-UHFFFAOYSA-N 428.483 4.709 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C/C=C/CC)CC1 1705634575 CDNJGSISHVLOKZ-VMPITWQZSA-N 425.989 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)C1 1705696899 IXXVMBVEQGADTI-UGNRZPKXSA-N 430.980 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1cccc(Cl)c1 1705698958 ATQYMPDPWQAJNP-RXVVDRJESA-N 430.980 4.695 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(F)cc(F)c1 1705705504 IIQOAXLBILZHJD-PGRDOPGGSA-N 444.551 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)CCCO2 1705720599 IUDNIUKRTIDMBP-FYYLOGMGSA-N 438.616 4.972 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OCCC)CC1 1705731341 WSUTVGCIEKVDCH-OAQYLSRUSA-N 432.996 4.977 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC)[C@@H](C)C1CCC1 1705745750 GWMVRJUCJJPOIK-HNNXBMFYSA-N 434.968 4.738 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H]1CC 1705753435 AKAGYKWHGASKSW-MAUKXSAKSA-N 438.016 4.770 30 10 IJEE C=C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705764206 RANNMWHKMUDWKL-LJQANCHMSA-N 434.506 4.872 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)c2nccs2)CC1 1705785166 YIFOMUWRJZTUTO-KRWDZBQOSA-N 439.585 4.528 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCCc1c[nH]nc1C 1705860460 IGNIHRROHZRIHS-UHFFFAOYSA-N 431.588 4.595 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705892246 PFMBJLPHTRYIRB-SNRMKQJTSA-N 431.378 4.821 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cc1 1705910097 RFRIFBLFDQBBEG-AREMUKBSSA-N 449.599 4.538 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1705947558 OWFCIHUIHLBVES-FQEVSTJZSA-N 447.048 4.694 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)cs1 1708996659 FDROXFGMWMAXKP-JOCHJYFZSA-N 438.626 4.758 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2CCCSC2)cc1 1712878554 HKUHHSIKJNVWHH-MRXNPFEDSA-N 435.519 4.739 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722388301 SJXMIUDLZFOIJX-NCXUSEDFSA-N 436.522 4.563 30 10 IJEE C#CCN(CC)c1nnc(CC(C)(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1722413895 SBCJOXANABWLCL-LJQANCHMSA-N 431.625 4.506 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1722483294 BOIHOLHYQKUWRQ-INIZCTEOSA-N 443.393 4.646 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1 1722529614 XMUBEQYKWGNSOV-FUHWJXTLSA-N 437.009 4.606 30 10 IJEE C=C(C)COCCn1c(N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C 1722536927 SQYZEURAQCAKQF-GGAORHGYSA-N 439.648 4.658 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1722542404 AGWBJGLTHBNMRY-CQSZACIVSA-N 436.318 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccccc2)C1 1722589695 VJPUTXKSNKECIB-FQEVSTJZSA-N 449.624 4.866 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722597029 FAGXKXWTMONOPQ-KNQAVFIVSA-N 426.605 4.839 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)c1nccs1 1722607417 BNSRAIOXXQSQOS-SFHVURJKSA-N 438.601 4.810 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1Cc1cccs1 1722625293 OKOMCGNOEFTPFI-SFHVURJKSA-N 444.004 4.859 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C 1722662842 OMZVWQSTTIGBOG-IBGZPJMESA-N 426.436 4.999 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccsc1 1722663681 FJIMPTXYLAFSOB-UGKGYDQZSA-N 444.626 4.743 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCCCC1 1728907046 FLYHAJGZFFFHPT-UHFFFAOYSA-N 430.556 4.675 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccc(COCC(F)(F)F)cc1 1740656090 MLNLFMNLHYEEMS-UHFFFAOYSA-N 444.501 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C)CC1 1740753081 FIEMQVIOWGQUQQ-ICSRJNTNSA-N 443.389 4.845 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1740778005 ZENLKAQUGBDTFP-QGZVFWFLSA-N 444.649 4.737 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1c(F)cccc1Cl 1740813531 BXLNABHNMKSYDX-UHFFFAOYSA-N 426.348 4.815 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCOC[C@H]2C)CC1 1740820213 VOZPYONDXZPCKY-HUUCEWRRSA-N 437.407 4.598 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)c1cccs1 1740860315 ZRPDFRTVOKVXLJ-KRWDZBQOSA-N 444.626 4.964 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1c(CC)noc1C)C1CC1 1740907440 UMKCDZZBNLTVPH-UHFFFAOYSA-N 448.390 4.831 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740943328 HBMUHRXPYYZELE-FQEVSTJZSA-N 439.604 4.890 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(Br)C1 1748761046 LHYHDMDSGMSXAZ-UHFFFAOYSA-N 443.389 4.766 30 10 IJEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)Cc1cccs1 1749036536 CTOLAZNQFQIOAO-LJQANCHMSA-N 449.624 4.948 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1749195292 IXGPRWPUJVNJFV-FOIQADDNSA-N 430.524 4.751 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CCCCCC2)CC1 1749286084 DXUZAKDPLLZLGV-LJQANCHMSA-N 428.552 4.799 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H]1CCCOC1 1749415610 PVSGHUVCJBZUEN-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCCOC1 1749420666 JDMLNZWQYNNSDU-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1749433835 XYRBJONMOSRYAS-JOCHJYFZSA-N 436.629 4.705 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCc1cccs1 1749544733 LQLSRRMCLUXLLM-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]2CCC[C@@H]21)C(C)C 1749556936 CMZZPHBCHBUMQF-MYDTUXCISA-N 427.637 4.597 30 10 IJEE C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N)Oc1cccc(F)c1 1751201660 DANYHZXQCATDEJ-HRQSHJORSA-N 443.567 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCn1ccnc1C 1760103228 BBFMLHVWIHPUMR-SFHVURJKSA-N 436.629 4.719 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@H](C)c1ccccc1 1760125513 QOIURYIWVKSRDJ-KKSHJYNMSA-N 438.616 4.823 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCCC[C@@H](SC)C1 1760141609 AYASCZJPJXVEEC-OAQYLSRUSA-N 426.630 4.945 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(F)ccc1OC 1760228713 PVLMLSSEOSHEOK-UHFFFAOYSA-N 438.572 4.931 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)CC 1760333927 IIRJZVCXQSXAQU-MZKRTTBSSA-N 434.588 4.594 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1C(C)(C)C)c1ccccc1 1760420471 PKPAWZGXZWKVCW-SFTDATJTSA-N 439.604 4.650 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760433093 QDXXGGQOXGXLRF-FHWLQOOXSA-N 432.012 4.957 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(C)(F)F)cc1)C1CC1 1760471135 NIOAVZIUSOMVIJ-XMMPIXPASA-N 446.542 4.634 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1csc(C)n1)C1CC1 1760471417 VFANICPXJDRFHW-OAHLLOKOSA-N 427.549 4.720 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCCCCC[C@@H]21)C(C)C 1760490254 SMIAFPOXWHOTFY-OEMFJLHTSA-N 449.647 4.593 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(CCC#N)CC1CC1 1760744352 CHPYHFPVSWERRV-FYYLOGMGSA-N 427.637 4.982 30 10 IJEE COC[C@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1770747499 AOVXXBJCYTZZAS-NLFFAJNJSA-N 439.604 4.702 30 10 IJEE Cc1nc(N2CCC(C(=O)Nc3ccccc3C#N)CC2)nc(O)c1-c1cccc(Cl)c1 1858554529 FGVKZVRTDKPFKX-UHFFFAOYSA-N 447.926 4.538 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OC(C)(C)C(=O)OCC)c1 1858754571 FOFXVGNZZSQLPO-UHFFFAOYSA-N 425.529 4.892 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@@H](C)C(=O)Nc1c(CC)cccc1CC 1858816130 VTMSSIQEMXAMAF-SFHVURJKSA-N 436.556 4.818 30 10 IJEE CC(C)Oc1ccc(C(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)cc1 1858908043 BCOLBBBELGBFSS-UHFFFAOYSA-N 429.476 4.886 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 1862511090 MAMGZLLCYRZMPL-QFIPXVFZSA-N 441.499 4.920 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1c(F)cccc1Cl 1862609777 VIKPGCUUEYACPY-MPBGBICISA-N 445.874 4.627 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 1862687804 PXWJDEAEHRJZTF-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862744329 MNRZDDCKATXWGK-SFHVURJKSA-N 448.397 4.848 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 1862981760 DOBAOEAKEAQECL-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2ccccc2OC(C)(C)C)C1=O 1863674423 AMGGGECBNDYPFB-UHFFFAOYSA-N 448.563 4.708 30 10 IJEE CCC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866775576 NSAGIUNFDXSTNF-FYYLOGMGSA-N 435.568 4.929 30 10 IJEE CSCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1cccc(C#N)c1 1867002251 YPNIDQXBHVGDTP-RTWAWAEBSA-N 441.984 4.582 30 10 IJEE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3cccc(C#N)c3)nc(C)n2)cc1C 1868466929 JCGRFNHAGWLUAR-NRFANRHFSA-N 427.508 4.569 30 10 IJEE C=CCN(CC=C)c1cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)nc(CCC)n1 1869225077 AWVZHARXSRSZKN-UHFFFAOYSA-N 436.600 4.923 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)c1ccc(Cl)cc1 1870139696 FDSPJLPFSLXTSQ-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870811985 LTXJJFXJERKQEG-UHFFFAOYSA-N 440.927 4.744 30 10 IJEE CCOCCOc1ccc2c(c1C)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871344415 RUDBBMVTQFRBFS-UNOMPAQXSA-N 433.298 4.798 30 10 IJEE Cc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc([N+](=O)[O-])c2)C4=O)c1 1871348243 ZVIMSNUEERUZHX-FMCGGJTJSA-N 428.444 4.872 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4nc5ccccc5s4)ccc3C2=O)o1 1871442792 VBWHOLNOILUXJO-ODLFYWEKSA-N 432.457 4.831 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871448195 HWYBITLCYIPNML-YOBACFSGSA-N 431.444 4.813 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cccs1 1872102244 PTLDCICDHBUNNN-IBGZPJMESA-N 431.583 4.604 30 10 IJEE N#C[C@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773776 YBQOQIGOGIZVSA-CQSZACIVSA-N 427.279 4.791 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3Cl)n2)c(OC)c1OC 1872788975 VSQILANKZGYVPK-OAHLLOKOSA-N 442.924 4.908 30 10 IJEE CC[C@H](C)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425153 WDHLLJRDPNVCKD-KRWDZBQOSA-N 438.531 4.956 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(OC)cc1OC 1874261072 GYXVTVSNPCYHDG-WYMPLXKRSA-N 448.495 4.537 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874265189 ZZFOGJUZKAHAKB-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc(OCC)c1 1874296713 OLXIYSINAMZDPE-PXLXIMEGSA-N 425.514 4.560 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1 1874375611 FAIBUTHUCFBDEW-CVKSISIWSA-N 446.507 4.881 30 10 IJEE CCN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874415295 IPVCHJPRERMEEH-YZSQISJMSA-N 449.624 4.835 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)cc2)o1 1874454941 SUQZOOQRFFHNBQ-YDZHTSKRSA-N 440.525 4.586 30 10 IJEE CCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccc(Cl)cc2)cc1 1874473687 REJIPQTVJCXWIR-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccccc1F 1874475062 HFKLRFZOCFLESL-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC(C)C)nnc1SCC(=O)Nc1ccccc1 1874489013 VYONDEOCMJPTSF-PCLIKHOPSA-N 449.580 4.654 30 10 IJEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(OCC)cc1 1874567923 YEDJDJGYUZOQBE-LFVJCYFKSA-N 440.569 4.996 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)c1OC 1874569434 WYOKNLUFXKXUKF-PCLIKHOPSA-N 448.548 4.631 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(/C=C/C(=O)c2ccc(CC)cc2)cc1[N+](=O)[O-] 1874604832 HRNFKHKFJPDQMP-FMIVXFBMSA-N 441.480 4.784 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COCc3ccccc3)c2)c1 1874695017 GXQWGCGPGAZBOK-ACCUITESSA-N 432.472 4.722 30 10 IJEE COc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC 1874697991 FUTGTWZMZFPRPL-WYMLVPIESA-N 432.472 4.757 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(OC)c3)c(OC)c2)c1 1875103026 UAMCOIRPSHGZRK-VAWYXSNFSA-N 448.471 4.836 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)c(OC)c2)c1 1875104374 UBSGWFGJJNSRNK-NTUHNPAUSA-N 446.455 4.744 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1F 1875152195 ISQRBZMODBNFDE-HWKANZROSA-N 432.753 4.860 30 10 IJEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCCCCN(CC)CC)ncnc21 1875230620 HWUNTMYMVYXZKH-UHFFFAOYSA-N 442.652 4.804 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@@H]1OCc1ccccc1 1998839430 JGIHONURHUFUSU-SQJMNOBHSA-N 429.605 4.843 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2008163172 MFTVRRDQQUIHQH-NRFANRHFSA-N 434.541 4.750 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2060625132 HFGHZTYNGFVHIL-KRWDZBQOSA-N 430.354 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC12CCC2 2063292975 RWKUMMBGXZJIFF-HOYKHHGWSA-N 449.592 4.618 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)c(F)c1 2079131413 SYQHQCIBTLXCHJ-CYBMUJFWSA-N 449.189 4.825 30 10 IJEE CCCOc1ccc([C@@H](C)n2nc(C3CC3)c(C=NO)c2I)cc1 2080063103 XZJMLCVAJSBJNC-GFCCVEGCSA-N 439.297 4.571 30 10 IJEE C=CCN(CC[C@@H](NCC)c1nc(C(C)C)[nH]c1Br)C(=O)OC(C)(C)C 2099291942 CWLBALIABKJOOI-CQSZACIVSA-N 429.403 4.759 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(Br)c1F 2102879198 FXGBAGICDQBFFS-WMLDXEAASA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1ccc(C#N)c(Br)c1 2105982865 GQEKAKUKHJSCMM-QGZVFWFLSA-N 430.293 4.767 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2ccc(Br)c(F)c2F)C1 2126626338 SEDLMOHWVMYLQC-UHFFFAOYSA-N 430.289 4.700 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 2145544582 QSSYFGMOCJVROL-ROUUACIJSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CCC2(CC1)C[C@H]2CN 2158293005 TWPGUBKTIZCCCS-VUZGARFFSA-N 434.378 4.992 30 10 IJEE Cc1sc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c(C)c1Br 2226123127 FRXHIGRAFPVEKK-ZDUSSCGKSA-N 428.201 4.826 30 10 IJEE O=C(C#Cc1ccc(Cl)cc1)c1cc(I)ccc1Br 2230996003 INHYOZRRCGPLIR-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2235718871 FCCFVNLESOBAKK-GCJKJVERSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1(C)CCN(C(=O)OC(C)(C)C)CC1 2235726516 OSRVGDLXBBBHDG-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@@H](O)C#Cc1ccccc1Br 2235742939 ZXCVQJLZMCDJOL-OALUTQOASA-N 434.374 4.731 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 2235745630 DPRXQOOYGBGCGL-QYZOEREBSA-N 435.406 4.718 30 10 IJEE C#CC[C@@H](C[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237430700 JAVLLVYJLLVOCZ-FFZOFVMBSA-N 435.406 4.652 30 10 IJEE COc1cccc(C#C[C@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1 2237752730 VJZPMZPBYNOILY-IBGZPJMESA-N 431.330 4.856 30 10 IJEE Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)CC23CCC3)c(B2OC(C)(C)C(C)(C)O2)c1 2241055258 UIVKMJPBKNNQLN-HSZRJFAPSA-N 447.432 4.546 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 2252604257 QXTFFTZCIPUDCD-YWZLYKJASA-N 447.498 4.858 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)cc(Br)c1F 2272722720 BBVHUWFYLGBJIV-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE C=C([C@@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2281234358 ZZRQMRVLXLHTSG-OCCSQVGLSA-N 441.305 4.892 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(c2c(Br)cccc2C#N)C1 2285221748 ZYKRGSQCXITUHS-WMZOPIPTSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](N)(C#Cc3cccc(Br)c3)C[C@H]21 2296226697 HXZOSSAKPGEJGM-JUXOCIIHSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2ccc(Br)cc2)c2ccccc21 2296266925 NGHGPDYGXWPRQD-GOSISDBHSA-N 426.310 4.909 30 10 IJEE CC1(C)CC[C@@](O)(C#Cc2ccc(Br)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 2296289227 PJKLFJMCNBSSHG-JTSKRJEESA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2303929079 ABNHBLOSLBWSET-FOIQADDNSA-N 447.498 4.858 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 2306520543 GYMUKOLIQRHECN-JWQCQUIFSA-N 428.573 4.699 30 10 IJEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cc(OC)c(OC)c(OC)c1)C3=O 2322092270 QLZMPVMEEJEDBE-OAHLLOKOSA-N 439.508 4.587 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(C[C@H]2COc4ccccc4O2)CO3)C1=O 2322234660 SSEYDLCNAYFVMH-INIZCTEOSA-N 447.512 4.665 30 10 IJEE CCOc1ccc(S(=O)(=O)NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1 2323378856 FLKURNGACRDQCU-UHFFFAOYSA-N 444.940 4.630 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2325728693 NFHOELQJEUXTEN-UHFFFAOYSA-N 446.478 4.834 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccc(O)c1 2326083973 RJUNCOPAWFNGAM-UHFFFAOYSA-N 428.945 4.809 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc1Br 2326392936 AIXXIHRWBPBZSO-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(CC)cc1 2329410807 MEHIQVVDHDSTGJ-UHFFFAOYSA-N 449.624 4.549 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 2330493359 OJELYDFXCKAUAE-UHFFFAOYSA-N 443.532 4.994 30 10 IJEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330632635 VBUSTNMEMKIYMQ-UHFFFAOYSA-N 432.388 4.547 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(Cl)cccc1Cl 2330736937 CMPGHXDMJVZSTF-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccccc2OC)cc1[N+](=O)[O-] 2331071671 DGRSJRLACWEGQL-UHFFFAOYSA-N 427.453 4.994 30 10 IJEE CCOc1c(Br)cc(C=Nn2c(SCC)nnc2C2CCC2)cc1OC 2331508778 UTNSICKHOALNFH-UHFFFAOYSA-N 439.379 4.710 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)c1 2331512034 AUAIVSPFXAEUSB-UHFFFAOYSA-N 449.580 4.789 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c(OC)c1 2331716716 DODSUWLTUADANP-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1Br 2331821185 UPMVAKFIZWIUHL-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE CCN[C@H](C#Cc1nccs1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2338229752 DJWDBNWVYJQZHN-OAHLLOKOSA-N 436.375 4.955 30 10 IJEE CC1(C)OB(c2cc(NCc3sc(Cl)cc3Br)ncc2F)OC1(C)C 2345743864 VARXDPYNXNCTFH-UHFFFAOYSA-N 447.566 4.609 30 10 IJEE Cc1cc(CN2C[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369736867 FJWRQTUNCAUALH-GOTSBHOMSA-N 448.460 4.637 30 10 IJEE N#CCOc1ccc(NCc2ccc(I)c(Br)c2)cc1 2377352341 AWBIIERSNKGCNG-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1cc(Cl)cc(Cl)c1 1884978 NPOQKPYCDMYVAW-UBKPWBPPSA-N 428.282 4.818 30 10 IJEE C=CCn1/c(=N\C(=O)c2ccc(N(CC)CC)cc2)sc2cc(C(=O)OCC)ccc21 9724977 GERPJZIZZYNWHB-OCOZRVBESA-N 437.565 4.653 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccccc2OC(=O)c2ccc(OC)c(OC)c2)c1 34955322 URAPAHODDIYUBW-XFXZXTDPSA-N 448.471 4.836 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc3ccccc23)s1 35568534 DEJHLTMHXMXRTD-LAUBAEHRSA-N 448.544 4.670 30 10 IJEE Cc1ccc(-c2ccc(/C=C3/S/C(=N/c4nccs4)N(C)C3=O)o2)c([N+](=O)[O-])c1 39864695 HWMURSVYDULDJP-OZZFTROTSA-N 426.479 4.854 30 10 IJEE COc1cc(/C=C2\S/C(=N/c3nccs3)N(C3CCCCC3)C2=O)cc(OC)c1O 39865105 WYEOCGPMUBLQQP-NFUVTUGJSA-N 445.566 4.803 30 10 IJEE C=C(C)C(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1 40194306 RVLJDPZDIWTRHM-UHFFFAOYSA-N 444.579 4.590 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 41285637 VFSYAJFHTDHJAE-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2cccc(Br)c2)cc1C 46128499 VHPCIAOIXCNNDD-UHFFFAOYSA-N 437.341 4.859 30 10 IJEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)n[nH]1 59892297 CDJOWDZUBYVFNQ-ZMOGYAJESA-N 445.618 4.571 30 10 IJEE COC(=O)c1c(NC(=O)C2CCN(CCC#N)CC2)sc(C)c1-c1ccc(C)c(C)c1 62039335 QRAOZWBTUOXDFF-UHFFFAOYSA-N 439.581 4.691 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 62897797 TUXZTIGWQSBNTG-UHFFFAOYSA-N 433.439 4.815 30 10 IJEE C=C(C)COc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1 66063158 MDCPVYGKRXBXQH-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)N1CC[C@@]2(C1)Nc1cccnc1N/C2=N\C(C)(C)C 96310094 FKUNGOQWDCLZNM-QFIPXVFZSA-N 426.952 4.754 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=N 101079205 LGMZFUHMZURDFH-UHFFFAOYSA-N 449.599 4.724 30 10 IJEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2cc3ccccc3o2)[C@H]1c1ccc(C(C)(C)C)cc1 102515474 YISNYMCMCVRRRH-UGUGFTGJSA-N 446.547 4.714 30 10 IJEE COc1cc([C@@H]2/C(=C(O)/C=C\c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)ccc1O 103090075 BBBBPCXWSLZGFE-KAPXYQNDSA-N 441.483 4.892 30 10 IJEE Cc1cccc(N2C(=O)C[C@H](S/C(=N/c3ccc(F)cc3)NCc3ccccc3)C2=O)c1 105533163 IYDIFUPANYQPLB-QFIPXVFZSA-N 447.535 4.977 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2)c1 170064862 SBDBFDXXXBKAKO-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170083552 QLJYNNJPBNWRJF-FQEVSTJZSA-N 445.862 4.705 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccco2)c1 170089499 FREHXQBNBUVWFV-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccco1 170096590 LLHDYHMOWARTEY-OAQYLSRUSA-N 437.879 4.763 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)cc1OC 170145317 ALBXRVALPUUTDL-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(C)c1 170147805 AYUQAWMTEAJQJF-HSZRJFAPSA-N 432.520 4.661 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC(C)C)cc1 170151578 VRMFXSRLADRDCD-DEOSSOPVSA-N 449.547 4.577 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)cc1Cl 170169091 KITMLAMVQGGJIL-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)s1 170173728 BWHJPTJYYUOXKZ-KRWDZBQOSA-N 425.897 4.591 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 170224393 JIEGKESTEHQQQT-HSZRJFAPSA-N 427.456 4.761 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 170247868 CDMMRSJYDBOFHZ-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C)c1 170269805 PAVJCLNINARFCK-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)c(OC)cc1Cl 170293178 SJAXWUAXDBSGPQ-FQEVSTJZSA-N 445.899 4.861 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C[C@H]1CCCO1 170315968 HFSZICJZLXXXPR-QUCCMNQESA-N 441.549 4.601 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC(C)=O)c1 170321061 YMXBYZTWKSFOCH-FQEVSTJZSA-N 427.884 4.644 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 170414781 QIALCSWKTSNKDB-HSZRJFAPSA-N 434.580 4.904 30 10 IJEE CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccc(C(=O)O)cc1 252600402 DQRXPUILNMMPHE-XMVHLTQBSA-N 448.456 4.577 30 10 IJEE O=S(=O)(O)c1ccc(NN=Cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 254439282 PCTYJHCLPXYJRE-UHFFFAOYSA-N 426.538 4.553 30 10 IJEE O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O 254742096 VSXMJSFBNLNLBA-GHQCRTPLSA-N 442.456 4.726 30 10 IJEE Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)NCC1(CC#N)CC1 430848445 CIAXXFWFAITWIF-ZDUSSCGKSA-N 433.375 4.935 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 460773091 JHRLBLFZKHIOHT-HXUWFJFHSA-N 445.615 4.740 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 508908197 RFIJBDFDVXGIHA-ZWKOTPCHSA-N 440.979 4.602 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 508918435 MZOUGXSDWHHDTH-LJQANCHMSA-N 432.446 4.938 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccncc2)cc(Cl)c1OC 526609420 QNJKXJQQEWZXAO-NRFANRHFSA-N 447.878 4.681 30 10 IJEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(OC)c(O)c(OC)c1 526809375 JRMFXFHAZZDVRE-CFRMEGHHSA-N 440.569 4.745 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 555264082 MMAARHGPNBGMOD-UHFFFAOYSA-N 445.611 4.725 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 582977518 HWDFLCWHQCRCCR-UHFFFAOYSA-N 449.521 4.623 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 618949099 JLEMJABRQZQFRV-IBGZPJMESA-N 431.330 4.679 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(Cl)c1 733202295 PPFLSWNVZHCYCZ-LJQANCHMSA-N 425.941 4.632 30 10 IJEE C=CCn1c(SCC(=O)N(C)Cc2ccc(Cl)nc2)nnc1-c1ccc(Cl)cc1 737787096 GXQAFGQLKTVABA-UHFFFAOYSA-N 448.379 4.584 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NCC3CCC(C#N)CC3)c3ccccc3O2)C1 799724889 AQMFAIFFBWTEOS-MELKIXMNSA-N 425.573 4.809 30 10 IJEE N#Cc1cccc([C@H]2CN(c3nnc(CCc4ccccc4)n3Cc3ccccc3)CCO2)c1 802128292 ODVYOMQHFUXEEL-AREMUKBSSA-N 449.558 4.561 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 806273489 XUDJLNPURQHIIN-DLLPINGYSA-N 430.573 4.892 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 812351812 ANJINZJVEAUXNO-DYXWJJEUSA-N 448.872 4.759 30 10 IJEE C#CCN(C(=O)Cc1ccccc1SC)[C@H]1CCOc2ccc(Br)cc21 1126230275 VMKBFZFXRDHTPE-SFHVURJKSA-N 430.367 4.699 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCSC[C@H]2c2nccs2)s1 1128155731 DZJWAGCZDSZBHI-LBPRGKRZSA-N 432.061 4.612 30 10 IJEE C=CCC1(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)CCCC1 1128862381 SXXVPCDCLYYZAM-RUZDIDTESA-N 428.573 4.614 30 10 IJEE C=CCOc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)cc1 1128864008 SNUXXWCBHFNOEU-UHFFFAOYSA-N 425.891 4.648 30 10 IJEE C=CCCCCCCCCNC(=O)c1cnn(C(C)(C)C)c1I 1129416587 NPNDVOVTGLVSCF-UHFFFAOYSA-N 431.362 4.889 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Br)cc2[nH]1 1148232393 HEKHRZIRBMOBKE-AWEZNQCLSA-N 437.338 4.514 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1148727225 LBAQLECKKOUXQH-MRXNPFEDSA-N 425.367 4.733 30 10 IJEE C=CCn1c(SCCCNC(=O)C2CCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1187948812 WELSWBGCIMCJMI-HNNXBMFYSA-N 445.654 4.557 30 10 IJEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(C)(C)C)ccc1C 1189221737 XULJZFSFYXGTQZ-QFIPXVFZSA-N 443.609 4.644 30 10 IJEE C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1Br 1191844830 FPSWLTZVMWYSLE-QVKFZJNVSA-N 436.394 4.884 30 10 IJEE C=CCN(Cc1ccc(C(=O)OC(C)(C)C)s1)[C@H](Cc1ccccc1)C(=O)OCC 1205411838 PYSMWHUDICZRRS-HXUWFJFHSA-N 429.582 4.866 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)cc1C(F)(F)F 1210574789 GYSGWSQQYUGJDQ-UHFFFAOYSA-N 442.462 4.940 30 10 IJEE O=S(=O)(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F 1211304122 GGQWREIULXACLG-OAHLLOKOSA-N 429.357 4.687 30 10 IJEE C=CCC1(CNS(=O)(=O)c2scc(Br)c2Br)CCCC1 1211843005 JYNIEUPXEHGODF-UHFFFAOYSA-N 443.226 4.688 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cc(Br)cc(OC)c1)c1ccc(F)c(F)c1 1226658366 BFRIWJAWLZAGMF-GOSISDBHSA-N 425.273 4.853 30 10 IJEE CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1265909170 HCZOOSQNUZOSGH-AWEZNQCLSA-N 446.732 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1286273992 KDRBQEWJJGNJEF-RRMPHLOHSA-N 431.378 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1nc(C(C)(C)C)cs1 1286523978 FZXYLRRGXFKXHD-RUZDIDTESA-N 433.625 4.972 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCCCC1 1286534124 BNZXTHWKCRJWHV-UHFFFAOYSA-N 435.366 4.641 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1286616758 BVIIIIWXXBFECH-UHFFFAOYSA-N 449.555 4.617 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286620154 GJDGPTXEDOQAMK-IEBWSBKVSA-N 444.942 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1C1CCC1 1286675708 RKKONFGWDUBBND-SFHVURJKSA-N 427.618 4.641 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCCC1CCOCC1 1286749558 WFKZPPAAZCGEHP-FQEVSTJZSA-N 430.618 4.633 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1 1286749908 HSDYKMOIQLFDNK-FQEVSTJZSA-N 442.658 4.680 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(CC)CCc1cccs1 1286776812 CFSFMVRFZVGPCP-UHFFFAOYSA-N 447.402 4.936 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N(C)C1CCC2(CC1)OCCO2 1286797367 VUFUHRJQNCVYQH-LJQANCHMSA-N 440.588 4.527 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)c2ccccc2)CC1 1286826934 XUAVFSVQXXFINK-UHFFFAOYSA-N 437.613 4.871 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3ccc(-c4csc(C)n4)cc3)n[nH]2)c1C 1290699263 MWRINXBLDQWXNS-CQSZACIVSA-N 446.580 4.999 30 10 IJEE CC(C)(C)CC(=O)NCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1294110849 DZAHFUZTWFRYDU-UHFFFAOYSA-N 433.430 4.860 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1294685488 BRNLJCUZAYTPFC-MJGOQNOKSA-N 447.645 4.978 30 10 IJEE CC#CCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1295706096 MTUNUAMNYSISIG-SANMLTNESA-N 438.527 4.796 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cc(Br)ccc2OC)n1 1298586318 UFJABDRMCCNRCE-MRXNPFEDSA-N 449.370 4.721 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CC2(C)C)c1 1299966497 FXJYJYBINRZUGE-ZIAGYGMSSA-N 432.366 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1c(C)nn(Cc2ccccc2)c1C 1300780274 ONXRPSNZZSYBSZ-AFMDSPMNSA-N 430.600 4.694 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(CC)Cc1ccc(OC)cc1OC 1300885745 SJRSQKNXRCZYST-NZQKXSOJSA-N 440.588 4.571 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCCN2CCCC2)CC1 1301127528 OLSKMCAJIRQZAW-UHFFFAOYSA-N 443.586 4.816 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301185818 LHZSAOLGWPVSSP-LJQANCHMSA-N 448.615 4.914 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCSC1 1301339142 HUINLAMKQPGTRW-JOCHJYFZSA-N 444.608 4.856 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCN1CCCC[C@@H]1CC 1301342024 XGLPLFUYROKPSK-QHCPKHFHSA-N 434.632 4.904 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2cccnc2)C(C)C)C1 1301554291 ZIOQZDYMIYDSJT-FYYLOGMGSA-N 447.583 4.570 30 10 IJEE C#CCN(C(=O)/C=C\c1ccc(F)c2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1303655733 JNBMSLXMJMHNTB-QBFSEMIESA-N 436.527 4.853 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)Oc3c(Cl)cccc32)n(C2CCCC2)c1C 1307752764 BBLZBJPHNPOCIZ-AWEZNQCLSA-N 426.948 4.971 30 10 IJEE C#CCC1(NCC(=O)Nc2c(Br)cc(C)cc2Br)CCCCC1 1308106085 XGQBCRGAAUHNJT-UHFFFAOYSA-N 442.195 4.774 30 10 IJEE C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CN1Cc1ccccc1 1310210705 FIVRIYJYVPWJBX-AVRDEDQJSA-N 427.508 4.530 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)N1CCc2c(Cl)ccc(Br)c2C1 1310463237 GJEWLTVFGLBCJI-GFCCVEGCSA-N 434.721 4.984 30 10 IJEE CN(CCOc1ccccc1F)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1310721680 DGTYUVUEIJIECS-UHFFFAOYSA-N 435.503 4.723 30 10 IJEE C=CCCCCCCNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 1312666485 XFFUJEYRJPOJLE-UHFFFAOYSA-N 426.374 4.552 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1313509104 CZDMQYMJIWMDQM-VWLOTQADSA-N 430.556 4.616 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)CCCCC1 1350333693 FCRCMGGEMCHSDX-UHFFFAOYSA-N 434.602 4.725 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@@H]2C[C@@H](OCC)C2(C)C)nnc1-c1ccc(Cl)cc1 1354208771 YLTRZRAODWRFQS-QZTJIDSGSA-N 449.020 4.539 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)Oc1ccccc1F 1358942512 YAKRBFGXEZCNGI-KRWDZBQOSA-N 438.572 4.952 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CC1CCC1 1359050241 KSJVBIFXDWVUTR-UHFFFAOYSA-N 437.638 4.980 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1359091404 MXTLHVZWQFXVIG-ZYOFANERSA-N 446.542 4.629 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCOC)CC1CC1)c1ccccc1 1359140744 KZSFPZUUAJXUEG-DHIUTWEWSA-N 438.616 4.773 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@@H](C)C1 1359154000 AFESCDIXIJCGEI-INIZCTEOSA-N 441.428 4.946 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1359163203 UYHWJMLFSSSIGT-QHCPKHFHSA-N 435.572 4.615 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359199788 HVCJEQOJDKQXCV-UHFFFAOYSA-N 437.632 4.947 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1359209555 QUWZBHBWPAKNKG-UHFFFAOYSA-N 449.020 4.502 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1359246611 GRDIPXGHCHMKGS-OAQYLSRUSA-N 439.604 4.842 30 10 IJEE C=CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C(F)(F)F)C1CC1 1359250033 ZGGYOUHQRXFGLQ-UHFFFAOYSA-N 430.478 4.874 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@](C)(CC)O1 1359258946 HWUIYZSJDFGGEM-OZXSUGGESA-N 431.584 4.804 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)CN1CCCC1 1359263863 ODEAVMXOCBQLHU-PZJWPPBQSA-N 429.634 4.506 30 10 IJEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1359305145 UMODMFPGYGVJLV-WMZOPIPTSA-N 448.036 4.541 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 1359308248 IJXREEJPTNLLKW-HXUWFJFHSA-N 437.613 4.911 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])ccc1Cl 1360644239 SPCKBPFCJQSTDJ-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c1 1435025361 WNSQMTYENFBJSL-KDURUIRLSA-N 442.581 4.560 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(SC(F)(F)F)c3)CC2=O)cc1Cl 1438201104 FHFVNASKGOIBCE-GFCCVEGCSA-N 439.846 4.815 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCc3ccccc3C2)CC1 1452823669 PZXQFMRDNWYAIU-FQEVSTJZSA-N 432.992 4.820 30 10 IJEE N#Cc1cccc(N2CCN(Cc3ccc(-c4cccc(Br)c4)s3)CC2)n1 1458090033 BOOTYRBOBYFGRA-UHFFFAOYSA-N 439.382 4.766 30 10 IJEE C#CC[C@@]1(C(=O)N(C)c2nc3cccc(Cl)c3s2)CCCN1C(=O)OC(C)(C)C 1459717910 TXWQRJLKWPUAOO-NRFANRHFSA-N 433.961 4.706 30 10 IJEE C=CCNc1ncc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)s1 1463920521 XYQVTFTVWPHIMU-QFIPXVFZSA-N 435.549 4.546 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 1464914063 GGPXQBIZYNECHJ-QUCCMNQESA-N 426.561 4.784 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1465194373 QLRBXPRFLIPXJC-KRWDZBQOSA-N 431.558 4.671 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 1469837449 RZWNXBMWCKEIFS-ROUUACIJSA-N 440.943 4.629 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3c(F)cc(F)cc3[C@@H]2C)n(Cc2ccccc2)c1C 1473276440 FRBPAHSEPVMGIF-SFHVURJKSA-N 448.517 4.861 30 10 IJEE C=CCCCCCCCNC(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 1478774350 ZKUSPLSGBBQKRL-UHFFFAOYSA-N 437.625 4.761 30 10 IJEE Cc1cccnc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C#N 1492606369 CWRHLLQTZQNWEA-SFHVURJKSA-N 432.572 4.502 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCC1 1500855331 AICCKDNADZKQHI-UHFFFAOYSA-N 448.640 4.823 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)C(C)(C)C2)cn1 1501252600 ALOLOTVVPRYOMG-IBGZPJMESA-N 444.583 4.921 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C)n3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1504462870 DCDHEONUQBUFBG-UHFFFAOYSA-N 444.583 4.752 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H](C(C)C)N1CCCC1 1507699383 GGLJLWLIBYCHGN-NZQKXSOJSA-N 425.596 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)c1nc(C)cs1 1507821324 YVYWCJJFZLZANQ-UZLBHIALSA-N 439.585 4.762 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(C)C)C1 1507839236 PXJUYSAXUVDIDV-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1Cc1cccs1 1507871105 RXWHHXUKICTXBX-GOSISDBHSA-N 428.989 4.925 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCSC(F)(F)F)CC1 1507903331 CCNZYBLKZPPAFZ-UHFFFAOYSA-N 440.535 4.727 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CCCC2)CC1 1507904428 PVGANQVFENOZKT-NRFANRHFSA-N 443.636 4.985 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(C)C)CC1)c1ccccc1 1507919058 AYQBWANTZCJKSJ-QHCPKHFHSA-N 435.616 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507922833 HNOGOCQXHADATH-JOCHJYFZSA-N 433.604 4.521 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507930845 JNDRLZDZAYALNG-MOPGFXCFSA-N 442.608 4.759 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1507935263 NKWIQDSUBAQXHD-UHFFFAOYSA-N 428.625 4.503 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)OCCc2sccc21 1507980416 IJLYNNFGGPYYKM-QFIPXVFZSA-N 428.989 4.694 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1508832953 GRANZDPYVPWWSK-OAQYLSRUSA-N 431.588 4.616 30 10 IJEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(Cl)s2)cc1 1518121756 FZPIYLKCRCALKF-UHFFFAOYSA-N 427.961 4.847 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(Cl)nc3cc(Cl)ccn23)cc1 1518643072 PQXYEMXMVMQMEZ-UHFFFAOYSA-N 429.307 4.708 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 1521123097 PEYSDZINSKBBDD-HHHXNRCGSA-N 441.527 4.894 30 10 IJEE C=CCc1ccc(OCC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c(OC)c1 1525085370 XJXPYYLTUQAQCN-UHFFFAOYSA-N 444.742 4.958 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1 1526224432 RZTGAAZUBFTJKA-UHFFFAOYSA-N 430.533 4.872 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)c1ccc(F)c(F)c1 1529492972 VHNAVQAXFJFRFH-RPBOFIJWSA-N 446.497 4.966 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 1535743469 HUIOTEATBQXXKN-RTBURBONSA-N 432.524 4.777 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccc2ccccc2c1 1536230840 GCYYMZPFSJFRHR-JOCHJYFZSA-N 433.483 4.846 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc(OC)c1OC 1536922229 OSZOSNCOCNQYBX-OAQYLSRUSA-N 425.525 4.554 30 10 IJEE C=CCSCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1538196576 ZVOJGNXZSVSCKF-UHFFFAOYSA-N 445.013 4.715 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC2(CCCCC2)O1 1539029891 LJJYJKMKOMHTNJ-FGZHOGPDSA-N 436.600 4.814 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(C(C)C)CC1 1539052819 UQOZDAXWQLUQAY-UHFFFAOYSA-N 439.673 5.000 30 10 IJEE CC(C)[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1Cc1ccccc1 1539200726 DWGBSSSTMAYGOE-VWLOTQADSA-N 443.547 4.713 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccncc1Cl 1539350697 VSBVGZGUYNKFGJ-HNNXBMFYSA-N 425.989 4.688 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCCN1CCC(C)CC1 1539384395 GSTKJWKBKDDDGO-UHFFFAOYSA-N 425.596 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1 1539556566 FLXSJMQABFOFIJ-AREMUKBSSA-N 434.632 4.538 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(C)s1 1539621962 DFBYEOICEMCOTB-DENIHFKCSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCCCC1 1539623594 MWXUUKUCYAJYBO-MBSDFSHPSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1CCCCO1 1539644526 GNWRJHHANCSKGM-QFIPXVFZSA-N 439.604 4.899 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CC)C1 1539801673 FYRWKQUEIMLFPS-ROUUACIJSA-N 438.016 4.772 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC=CO2)CC1 1539882137 SQVTYLWVOAOPOK-QGZVFWFLSA-N 429.362 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSC(C)(C)C1 1539908780 ADRIZUOTPDJNTD-UHFFFAOYSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1539908816 BGBQWGZVXLRANV-INIZCTEOSA-N 426.483 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](COC)C1 1539909008 FJBTZSSUEFSBAA-LJQANCHMSA-N 442.604 4.818 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](C)C1 1539963054 JSADVKAWNCVWFB-ZCNNSNEGSA-N 431.625 4.841 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1540395072 DVOCKNGTXABOOM-ROUUACIJSA-N 447.000 4.839 30 10 IJEE O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H](O)c1ccccc1C(F)(F)F 1541035811 HIFYACDEIWFSBN-CYBMUJFWSA-N 427.272 4.580 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CSCCS1 1541799226 AIVINOJCZLXKLH-NVXWUHKLSA-N 447.699 4.862 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)on1 1545823245 FWNLKSXDOXLSRG-QGZVFWFLSA-N 448.571 4.760 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1547300313 ANNQTPRIFSJMJI-KCZVDYSFSA-N 448.615 4.557 30 10 IJEE CS[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1555848074 CNQUVWPJJLVSGV-WMLDXEAASA-N 437.560 4.920 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)cc1 1556660249 JJCQZLLNJBIIHS-UHFFFAOYSA-N 448.316 4.622 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 1557540630 VJRXFTWEENLJDC-ZBFHGGJFSA-N 427.463 4.710 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc(C)nc(N2CCCC2)c1 1562929346 QUFUVCPGQKUJTO-UHFFFAOYSA-N 445.361 4.639 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@H]1CCCO1 1564604001 WLDLHMRFUKXDJX-TZIWHRDSSA-N 434.870 4.733 30 10 IJEE CC(C)(CCC#N)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1564870609 FSYLPCNLJRKWHY-WOJBJXKFSA-N 446.567 4.548 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccc(F)cc1 1564996381 WDKFKGZPOAWMHL-UXHICEINSA-N 430.321 4.549 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1Cc1cccc(OC)c1)c1ccc(Br)cc1 1565000254 VNMPVIHGQIHKSX-TZIWHRDSSA-N 427.342 4.549 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCc5cc(OC)c(OC)cc5[C@H]4C)[C@@H]3C[C@@H]12 1565537377 RTGZNAKHJPYKJA-SBPZVTNXSA-N 439.596 4.937 30 10 IJEE C#C[C@@H](CCC)NC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1568601817 IXACYGPSQZQPRX-FQEVSTJZSA-N 430.548 4.566 30 10 IJEE CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1585483688 AXHLYDYPAGCERW-DQVLVPHSSA-N 427.932 4.516 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl 1587242365 QBOSLVXFSPYHPD-CHWSQXEVSA-N 435.735 4.579 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(COCC)cc1 1589615160 MFVPUJPHWXZVES-UHFFFAOYSA-N 425.964 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)c1ncc(C)s1 1589625570 IWWXWIOAMNHEIA-INIZCTEOSA-N 441.601 4.933 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1593900458 MJCOCZRHRJARCO-OAQYLSRUSA-N 446.979 4.772 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2nc(C)cs2)CC1 1594014043 NKFOFDIOXQHTAQ-SFHVURJKSA-N 439.585 4.786 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1594102446 MWQPUKQDAAVRSD-OAQYLSRUSA-N 428.024 4.799 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1594114934 LKCDMASBKDUJQQ-UHFFFAOYSA-N 437.632 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(CC)C1 1594461558 ULPSEQQFVDTIIQ-FQEVSTJZSA-N 436.398 4.643 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1Cc1nnc(C(C)(C)C)s1 1595108478 AKLWOKMAGAHKAC-UHFFFAOYSA-N 445.596 4.730 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCCN1CCCC[C@@H]1C 1595116866 WFUBMCFRFFADHP-UPVQGACJSA-N 437.632 4.977 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1Cc1nnc(C(C)(C)C)s1 1595262083 ZWXKKOMOFBBBPV-UHFFFAOYSA-N 440.617 4.961 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(C)C 1595905192 GINAQAKFKYQERU-SFHVURJKSA-N 437.654 4.752 30 10 IJEE CC(C)(Cn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1)c1ccccc1F 1597772626 GQLOPUKNJBXPTM-UHFFFAOYSA-N 432.547 4.511 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21 1598316190 MNDYYVJPVITWKR-HKUYNNGSSA-N 426.561 4.834 30 10 IJEE CC(C)(C)OC(=O)Nc1nc(CNc2ccc(C#N)c(Br)c2F)cs1 1613036359 KDBJFJMWHXGLCY-UHFFFAOYSA-N 427.299 4.875 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H](C)CC(C)C)nc2sc3c(c2c1=O)CCCCC3 1613118061 HDJLHNOLQDYGPG-MRXNPFEDSA-N 447.670 4.898 30 10 IJEE CCc1nc(CCn2c(CC3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)cs1 1613876249 DZUIETXTCSWUNG-UHFFFAOYSA-N 434.613 4.780 30 10 IJEE CCCCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccc(S(=O)(=O)N(C)C)cc1 1614597059 XIMWEYOONFHYHH-XSSWQJIQSA-N 430.619 4.985 30 10 IJEE CCN(CCC#N)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)cc1 1615743751 GEOMFACPTSLVRB-SANMLTNESA-N 440.547 4.762 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 1617466434 PUDZIYMKXOLSMX-AEFFLSMTSA-N 426.542 4.523 30 10 IJEE C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2Cc2ccc(Br)cc2C#N)C1 1617790873 CGKLDLRFZVKCSW-JXFKEZNVSA-N 434.378 4.544 30 10 IJEE CC(C)[C@@H](CNS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccc(Cl)cc1 1622110322 BZPKRBVYRUSQSO-QGZVFWFLSA-N 441.778 4.692 30 10 IJEE C#C[C@@H](C)NC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1625828823 YWRYSRNMIMPHRS-UXHICEINSA-N 430.548 4.566 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Oc2ccc(F)cc2)n1 1632127284 NGBXZPRZOUGVFN-SFHVURJKSA-N 449.910 4.665 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1cccc(Cl)c1Cl 1635564122 FIIFNHJHDCESMM-HNNXBMFYSA-N 429.344 4.542 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCOc1ccc(Cl)c(Cl)c1 1637827539 WCMMUWHXFMXYDS-UHFFFAOYSA-N 432.307 4.553 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 1637945415 ZNBLZRHKUMICTR-GOSISDBHSA-N 443.510 4.955 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)c3cccc(OCc4ccc(Cl)cc4)c3)n[nH]2)c1 1639135192 CHEGWIGOROBOBP-UHFFFAOYSA-N 429.867 4.828 30 10 IJEE C=CCn1c(SCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccc(OC)cc1 1640637722 CFXUBYMJQMYNPX-QGZVFWFLSA-N 444.601 4.879 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(Oc3cccc(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1641169303 DEQWXLAAUDZKGB-DEOSSOPVSA-N 432.536 4.541 30 10 IJEE COc1ccc(N(C(C)=O)c2nc(CN[C@@H]3CCCc4cc(C#N)ccc43)cs2)cc1 1652684170 GSRYGLIECLSHKU-HSZRJFAPSA-N 432.549 4.875 30 10 IJEE C=CCC1(NCC(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)CCCC1 1655078744 QIDKBIXEXQUIQP-QHCPKHFHSA-N 431.580 4.903 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)C1 1657660123 VPWCFZNPFPHXQI-RUIUOMPFSA-N 445.629 4.610 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Br)cc(F)c(F)c1N1CCCCC1 1659628809 MNXMZNWAOKEAOD-VLIAUNLRSA-N 429.349 4.788 30 10 IJEE C/C(=C/c1ccccc1OC(F)F)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1660214436 BRKSFHCANHAHRA-JXAWBTAJSA-N 449.505 4.775 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2ccc(Br)cc2Oc2ccccc2)s1 1661504247 GTYPZMNYYFNBEJ-UHFFFAOYSA-N 449.351 4.653 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 1662014413 SPXAZOHBZDIEDJ-UHFFFAOYSA-N 426.582 4.974 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)cc1 1663299478 QXECBYAKVNLCER-UHFFFAOYSA-N 433.320 4.846 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)cc1 1666222469 IHVUHLREWKSVBV-NSHDSACASA-N 438.272 4.526 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 1668996599 QEJYXWUBWUUVCA-FQEVSTJZSA-N 429.923 4.667 30 10 IJEE C#CCN1CCC(NC(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)CC1 1669481317 XXTZJLMULKSEAB-UHFFFAOYSA-N 447.558 4.951 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1Oc1ccccc1 1670536382 BOTSWQQNMPEXHP-QGZVFWFLSA-N 448.429 4.556 30 10 IJEE CCC(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N1CCOCC1 1676856059 AWDIUMVKHASAED-FQRUVTKNSA-N 448.611 4.722 30 10 IJEE CC1(c2ccccc2)CCC(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1678895798 AYTSZARAYOLAMI-UHFFFAOYSA-N 430.596 4.722 30 10 IJEE C=CC[C@H](NC(=O)NCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccncc1 1679026574 LQOUSPPCYVDSMB-YADHBBJMSA-N 438.572 4.524 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]21 1683213279 IRBPXJJUGGMMGZ-HMXCVIKNSA-N 443.389 4.653 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCSC(C)(C)C1)[C@@H]1CCOc2ccc(Br)cc21 1685496558 IWNJZWVOUNKXRJ-NVXWUHKLSA-N 437.403 4.592 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1689901080 AQJBLYBQZKZONL-QHCPKHFHSA-N 446.599 4.624 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1689933967 FGONQBQJMJIRDZ-JOCHJYFZSA-N 435.597 4.787 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](c1ccco1)N1CCCCC1 1689947559 HYGOHUHOBATYMI-DHIUTWEWSA-N 431.584 4.710 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@@](C)(CC)O1 1690006728 YPEAKONYBCHEQK-JVFUWBCBSA-N 436.625 4.552 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCCCOCC 1690198069 AVSGBIBSKBCYQO-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@H]1CCC(F)(F)C1 1690214594 PGAJKORRXGWFPL-FDDCHVKYSA-N 444.526 4.683 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C(C)(C)C)CC1 1690241528 TVDFJPNEDROGQH-GMAHTHKFSA-N 431.584 4.981 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(Cl)=C(Cl)C1 1690250942 NIBVUNWCGKHJHU-DNVCBOLYSA-N 439.412 4.811 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1 1690251658 XONXHPDRSOYPOM-GCJKJVERSA-N 429.996 4.677 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](OC)C(C)(C)C1 1690331270 URWFGIUYIYABFF-NRFANRHFSA-N 439.991 4.966 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1690335694 GLAXCERLVYZRKF-UHFFFAOYSA-N 428.245 4.800 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1690402999 YDPFVXODGRWUSI-MJGOQNOKSA-N 444.551 4.512 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCOc2ccc(Cl)cn2)CC1 1690406944 YNCYFZDTIRNUMN-UHFFFAOYSA-N 427.911 4.614 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](OC)[C@H](C)CC)CC1 1690415694 VBOJRTRYVOKDAJ-UTKZUKDTSA-N 432.996 4.974 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@H](C)C1 1690453928 NTMBVKIGJIIGRT-OAHLLOKOSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cc(Br)c[nH]1 1690496565 TUMVGSIZHUBMCP-UHFFFAOYSA-N 430.354 4.742 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CSCCS1 1690515731 SBSJXXJKEFWREX-RHSMWYFYSA-N 425.023 4.542 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1Cc1ccnc(OC2CCCCC2)c1 1690529464 QFPDAIGSYQUPKJ-UHFFFAOYSA-N 431.584 4.954 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)[C@H](C)CC 1690577432 HKOYCVCXSIGNEL-UZUQRXQVSA-N 425.602 4.700 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CCO[C@H]1C1CC1 1690596956 FMOVYGCRUTYMJV-UPVQGACJSA-N 428.527 4.531 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1 1695237885 ASLXILHSLHGHFW-QHCPKHFHSA-N 426.653 4.795 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](COCC)C1 1705514661 DUXSHKYNLHPMEE-HXUWFJFHSA-N 433.556 4.657 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCc2cccc(Br)c2C1 1705515480 FPQIHXIRQIEOPM-HXUWFJFHSA-N 443.389 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](OC)C(C)(C)C 1705589831 WIKOJMZTCWNAMH-GMAHTHKFSA-N 436.600 4.559 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H]1CCO[C@@H](C)C1 1705604142 GKSGVRWENXSFPO-FHWLQOOXSA-N 430.980 4.736 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705622911 ZGPHSWBEGAJUMV-PZJWPPBQSA-N 445.007 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1(O)CCC1 1705719552 CABDMGQBWRTKTG-UHFFFAOYSA-N 426.605 4.862 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2nc(C)cc2C)CC1 1705762730 GVUDIRMAYWDVDU-FQEVSTJZSA-N 438.551 4.617 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nc(C)c(C)s2)CC1 1705778524 YTWCYPYWSHZVLG-UHFFFAOYSA-N 447.406 4.560 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1705793933 OLRXFRITZIYEKW-UHFFFAOYSA-N 432.616 4.811 30 10 IJEE C=CCN(c1nnc([C@H]2CCCO2)n1Cc1c(C)sc(C)c1Br)C1CC1 1705856085 FKEFVBVKPJWBKV-MRXNPFEDSA-N 437.407 4.774 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 1705857427 FUNXZFZQUVLUHR-UHFFFAOYSA-N 445.548 4.645 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(CC)C2CCCCC2)cc1 1705910996 VFEWKLGLDBXRDA-UHFFFAOYSA-N 448.615 4.912 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](CN(CC)CC)C1 1722325770 OFULYYUDDCUQCC-WOJBJXKFSA-N 439.673 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCC(F)(F)F 1722496965 PKZSSHFLZXYHJK-RHSMWYFYSA-N 428.886 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCc1ccn(-c2ccc(F)cc2)n1 1722513009 PBKYAQOBRTZWRO-UHFFFAOYSA-N 445.546 4.618 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C1CCCCC1 1722550028 DTSSICCNPKADJP-UHFFFAOYSA-N 440.979 4.757 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1722597033 FAGXKXWTMONOPQ-UGKGYDQZSA-N 426.605 4.839 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1C[C@@H]1CCC2(C1)OCCO2 1722658265 CENHSXTZWMZRLM-RBUKOAKNSA-N 428.552 4.667 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C)C1)C(C)C 1722667583 WBKQADYBJOGMNP-SQJMNOBHSA-N 446.643 4.982 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSC[C@@H]1C 1740568174 ZSBUHKXQOSOVQM-OALUTQOASA-N 428.602 4.562 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H]1CC 1740570842 JSGRUOZEVBWDOW-UXHICEINSA-N 446.599 4.664 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H](C(C)C)N1CCCC1 1740677219 RNJDTUDJHZDQAP-DEOSSOPVSA-N 437.607 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCC1CCOCC1 1740757964 YKYNJUNVGNPCPK-ZEQRLZLVSA-N 438.616 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](CC(C)C)C1 1740759471 JJJTVDDBKNPAET-KJWPAHLWSA-N 438.616 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](CC)C1 1740765308 UDIDCTWMTNNHIF-VIYGXFRKSA-N 448.677 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740847219 AORHHFFOUZEGKK-HXUWFJFHSA-N 438.963 4.569 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1740864002 CYQOWCNEPQRWEB-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1740887184 DWSYDHSGQBOVHK-FCHUYYIVSA-N 431.669 4.550 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCOC1CCCC1 1740893438 KFYDLGIQTSIPRW-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CCCS1 1740916013 AQALUJPRWUKVKP-URXFXBBRSA-N 437.613 4.870 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ccc2c(c1)OCCO2 1740923333 JJYKQOFBHBHDGP-UHFFFAOYSA-N 438.597 4.940 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCc1cc(F)cc(F)c1 1740938166 ZOGWHTSZMFTTFW-UHFFFAOYSA-N 449.505 4.998 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C(C)C)CC2)C1 1740972989 PJODVINVBPSORZ-RXVVDRJESA-N 428.552 4.775 30 10 IJEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N(CC(C)C)C2CCCC2)s1 1742733537 BWVJATPATSRJFM-UHFFFAOYSA-N 435.601 4.624 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](COC)C2)CCCC1 1744312861 IBTMAPRYTCZMOC-OAQYLSRUSA-N 437.588 4.562 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cc(Br)cs1 1748753242 BIQLMZWFQLPOCE-UHFFFAOYSA-N 447.377 4.882 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1748775242 GGKVUXVWHVSDJG-OAHLLOKOSA-N 437.332 4.993 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCC1(C)C 1748833511 TWZHCKPWZCJWHK-OAHLLOKOSA-N 431.403 4.668 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCC[C@H]1C 1748918006 UATUFHOUYIXCCO-QGZVFWFLSA-N 434.415 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc(COC)n1 1749058253 DHQDVWBXZXZBHB-RUZDIDTESA-N 449.624 4.886 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCC(C)C 1749073701 WENIQBZFVUVLOR-OAQYLSRUSA-N 431.378 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749118503 GVLFBQCRFQVICN-IKLNAOFOSA-N 428.577 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](COCC)C1 1749124231 LMCRONUQGMMINN-DXIQSLLYSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1749130086 JMABZUJDGKSNOB-WIOPSUGQSA-N 437.632 4.694 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CCSCC 1749253086 KCKJUUSJQFSHNA-ZDUSSCGKSA-N 446.846 4.767 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1749309910 RNJYQYYMOXERQD-QPPBQGQZSA-N 438.616 4.824 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccnc2OCCC)CC1 1749331579 PNUUVJYRPVSRHV-UHFFFAOYSA-N 433.556 4.588 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCC[C@H]2C)CC1 1749335742 UKQADXUYWLTOEB-GOSISDBHSA-N 429.012 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CC1CCC1 1749355889 RSUDEIZOSGUJEB-UHFFFAOYSA-N 430.618 4.577 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)=O)CC1 1749392062 YRBGKUBDPJQCTA-KRWDZBQOSA-N 445.995 4.533 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1749414848 KAGZUIYPHWFYPT-HXUWFJFHSA-N 432.515 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCSC1 1749550835 JVECWCKJHWUHQL-QGZVFWFLSA-N 426.611 4.961 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnc(C)s2)n1 1751739778 HUCJTIVVLQMZBF-CQSZACIVSA-N 449.609 4.787 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(COC)CCC1 1760100215 SJNNSXLFKXDGJE-KRWDZBQOSA-N 435.597 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1nc(C)cs1 1760106761 GPSJDDFLHOBBBO-ZFWWWQNUSA-N 444.402 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(CC)CCOCC1 1760107192 RJPURQMQQAJIKK-FQEVSTJZSA-N 448.567 4.782 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1760229446 RJOMGFRSNQAYQI-QZTJIDSGSA-N 429.996 4.683 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ccoc1C 1760275334 VSMGHMBMZLLWRZ-FQEVSTJZSA-N 438.597 4.939 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1760359226 JRJVQDGZLLJNRR-GCJKJVERSA-N 437.613 4.609 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccccc1F 1760411558 OMIPANIORFVMMP-MRXNPFEDSA-N 439.535 4.945 30 10 IJEE Cc1ccc(C[C@H]2SC(=NN=Cc3ccccc3OCc3ccccc3)NC2=O)cc1 1772741992 SDZJCFQJFHJYAR-HSZRJFAPSA-N 429.545 4.738 30 10 IJEE CCOc1cc(C=NN=C2S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 1772758246 QSLKTOWGYLEFAO-KGXKECERSA-N 447.516 4.891 30 10 IJEE Cc1ccc2nc3c(c(C(=O)Nc4c(C#N)cnn4-c4ccc5ccccc5n4)c2c1)CCC3 1859649628 YRSSYAODUYGEMW-UHFFFAOYSA-N 444.498 4.890 30 10 IJEE Cc1ccccc1C(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1 1860092898 OJBBRKKJFOJBKC-UHFFFAOYSA-N 431.517 4.687 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861211543 RJAAFJHEVDAGJG-RPWUZVMVSA-N 429.649 4.660 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 1861816446 YNJCAGJZWJEJTO-QFIPXVFZSA-N 425.529 4.851 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862474310 MUSPQOSKESLYEZ-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478909 TUXVLOQLLMENGS-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(O)cc2)cc1 1862555936 LJFRBFOHVMUWQY-FYSMJZIKSA-N 442.515 4.876 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862584960 LKPBGESDKADYLY-IBGZPJMESA-N 446.286 4.529 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc(Br)ccc1F 1862602164 WCLFRFNWJMTAKO-GOSISDBHSA-N 448.288 4.528 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 1862672596 DYVUGGZTRKHEFR-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1 1862718701 BXHATNQFKKURJK-QHCPKHFHSA-N 443.499 4.861 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1 1862726889 QZOKUURVUBZSSY-QHCPKHFHSA-N 439.467 4.793 30 10 IJEE COc1ccc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862962109 WVNIMGHMWLCXKI-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE C=CCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863366942 FOYWVURRYTUJIM-UHFFFAOYSA-N 446.453 4.922 30 10 IJEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCCCc2ccccc2)C1=O 1863732739 UZEODLJPNJBCRO-UHFFFAOYSA-N 429.347 4.872 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@@H](C)c1cccc(Cl)c1 1868996022 XXEVOFWNRAAOIS-JPYJTQIMSA-N 442.962 4.901 30 10 IJEE CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C#N)nnn2-c2cccc(C(F)(F)F)c2)cc1 1870145584 HIERBPBVXZXKDJ-CQSZACIVSA-N 443.429 4.687 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)c1ccccc1F 1870147942 NVYYMRFKXNBKHW-UHFFFAOYSA-N 447.857 4.763 30 10 IJEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3ccc(Cc4ccccc4)cc3)o2)cc1 1871281287 HURMMNUIBANTSM-UHFFFAOYSA-N 429.501 4.913 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871351066 IVHQMGRYPBBHNZ-BKUYFWCQSA-N 426.944 4.758 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc3C2=O)cc1 1871376659 BMDIZXKVQTWRAO-DTAINRSBSA-N 428.440 4.939 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1ccc(C(F)(F)F)cc1 1871443313 VRGZIYMXTMHIQN-ODLFYWEKSA-N 429.350 4.932 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1871789515 APRRFLJOAUQVPH-LJQANCHMSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(=O)(=O)CCC 1871948293 WUPNMXKFYPUBIP-LJQANCHMSA-N 441.380 4.901 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872088008 RDYVBPOPRZZBOR-HTAPYJJXSA-N 432.561 4.754 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872439959 ZQRNQEHTDHNQEV-LIRRHRJNSA-N 441.018 4.940 30 10 IJEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765855 YEQPRFVGXIPJKS-OAHLLOKOSA-N 443.322 4.836 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(Br)cc1 1874239775 ZBKVBQAPAGOELM-CIAFOILYSA-N 447.358 4.622 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc[nH]2)cc1 1874306349 RURGPFPPSMCEEC-WGOQTCKBSA-N 431.565 4.883 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccn2C)c1 1874308351 RPJQUOSZKMWOTQ-YZSQISJMSA-N 445.592 4.893 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874446270 ACPYDAAYAGQNDK-WQZUMXOESA-N 430.574 4.868 30 10 IJEE CCCSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874449895 OETWGILUBQFNFA-HSJQUHBMSA-N 436.537 4.733 30 10 IJEE CC(C)c1nnc(SCCCO)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874515628 IMECPWDMEJQYPU-ZVHZXABRSA-N 444.988 4.991 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1cnnc1SCC(=O)Nc1cccc(C)c1C 1874534517 MVDSHPUJDBCBFE-LGJNPRDNSA-N 445.548 4.670 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1 1874615046 DKMIUQZESAXQMN-OQLLNIDSSA-N 445.515 4.685 30 10 IJEE COc1cccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)c1 1874702834 LXZQYTAYAVVAEQ-UKTHLTGXSA-N 432.472 4.893 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)c(OC)c1 1875178980 NIUDZDDJWZVLBG-GIDUJCDVSA-N 446.455 4.744 30 10 IJEE Cc1ccc2c(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)cc3c(C)cccc3c2c1 1891865627 WAKHHIIBKLVNJZ-LJQANCHMSA-N 436.515 4.955 30 10 IJEE C#C[C@H]1CC[C@@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1898667836 OJGDHTRVLTZXKK-FDTRYVBHSA-N 444.575 4.858 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)cc1F 1901482962 LNQDIDBYBVDMNM-HSZRJFAPSA-N 443.478 4.953 30 10 IJEE N#Cc1cc(Br)ccc1N[C@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2043997557 KLOJQOAYHLONOE-FQEVSTJZSA-N 440.341 4.924 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C(C)=O)C(=O)C(F)(F)F)cc1OC 2059870663 ZMWQKRRHUOFJFJ-UHFFFAOYSA-N 444.409 4.660 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074134493 QNZGLFJRCLPYDI-BKMJKUGQSA-N 444.616 4.552 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100158058 WSJJGJPUEBMFNP-DNQXCXABSA-N 435.417 4.802 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)c1cc(Br)c(C#N)cc1F 2118151745 UDYTVHKNONYRMO-LRDDRELGSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2124521635 JBSYODGZIAQBIF-OAHLLOKOSA-N 448.344 4.871 30 10 IJEE CC1(C)CC[C@H](Nc2cc(Br)cnc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2167613863 OFLSTFHCGGVDFH-ZFWWWQNUSA-N 437.382 4.847 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(Br)cc(F)c2C#N)C2(CCC2)C1 2174821354 HETHBBFAZCHCKK-ZDUSSCGKSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@@H](O)CC#C[Si](C)(C)C 2229110391 RDROOWNGGCJUHT-MSOLQXFVSA-N 440.454 4.517 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)cc1OC 2231186616 OBCKTADXCRMYBV-WMZOPIPTSA-N 427.383 4.968 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2232327847 JDQKXZPOHARDKG-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE CC(C)[C@H](CCCC(=O)Nc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C 2235331451 RQOCOXNUKIBVGU-INIZCTEOSA-N 438.366 4.979 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2235719713 NZJSIWWCKBXBAA-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE N#Cc1cc(F)c(CNc2ccc(Br)cc2I)c(F)c1 2240332324 UUSVEFQOWUDABE-UHFFFAOYSA-N 449.036 4.816 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCC(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1 2261820786 PDVOBYXOKFEZGR-BAWHURIHSA-N 447.572 4.703 30 10 IJEE C=CCCC1([C@H](O)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266299983 PIVDBZZGSSQAPL-QGZVFWFLSA-N 426.351 4.694 30 10 IJEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC(C)(C)C 2267134532 QTXVBRFTVDANQZ-UHFFFAOYSA-N 437.389 4.683 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2ccc(Br)c(C#N)c2)CCC1 2289759264 DLPLWNMADZQFOT-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@@H](O)C#Cc2cccc(Br)c2)cn1 2296222272 QGXJZXKEVHSMMU-SFHVURJKSA-N 431.330 4.691 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CCNC(=O)OC(C)(C)C)C(C)C 2296292784 CABPNCQWCKDKPF-PMACEKPBSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2296293356 ISMUWVMHIWLTFQ-XAMWDVODSA-N 435.406 4.670 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 2296300851 NFTXXMYMKZXHTJ-GOSISDBHSA-N 433.390 4.616 30 10 IJEE CC[C@@]1([C@@H](C#Cc2ccc(Br)cc2)NC)CCCCN1C(=O)OC(C)(C)C 2296309662 YVFVOCSMCLUNPH-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CCCC1 2296310359 IXMLNUHRTUYLFD-LJQANCHMSA-N 435.406 4.864 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2306520898 HWIZXSSLEDVUPB-VWLOTQADSA-N 428.573 4.842 30 10 IJEE O=C1C(=Cc2ccccc2F)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 2322192723 QXFMDVJAVYSRTK-UHFFFAOYSA-N 427.435 4.670 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)ccc1O 2322274144 RZPHSFGIIXTMMH-UHFFFAOYSA-N 448.548 4.718 30 10 IJEE CCOC(=O)C1CCN(Cc2c(O)cc(C)c3c2OC(=Cc2ccc(CC)cc2)C3=O)CC1 2324023596 BZTRPLLNKMRUFF-UHFFFAOYSA-N 449.547 4.654 30 10 IJEE O=C1C(=Cc2cccnc2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 2324025529 LQGMEFGPEUYGEK-UHFFFAOYSA-N 426.516 4.858 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2324293592 GRQPJRNXDDVBON-UHFFFAOYSA-N 435.476 4.525 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c1 2324400476 ICSOHXXEGUOSHB-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324983607 ULAPRUQSTMNSEV-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccn1C 2325951459 ARAOECYFNHYISY-UHFFFAOYSA-N 430.375 4.520 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1c[nH]c2ccccc12 2326210402 VCDAAUYGKFLQPD-UHFFFAOYSA-N 449.580 4.946 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)OC)cc1 2329097452 KDEUROHJOWYJEQ-UHFFFAOYSA-N 440.956 4.859 30 10 IJEE CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2330881460 AWTMBLMRIAFBDQ-LJQANCHMSA-N 428.945 4.966 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C(C)(C)C)cc1 2331364084 JQSYQWHBMVZVTJ-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE CC(C)(C)c1nnc(SCCO)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331414401 CYKHPHCGHSEIKN-UHFFFAOYSA-N 444.988 4.775 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)COC 2331500389 CBQFBPJAFQKWOP-UHFFFAOYSA-N 427.453 4.565 30 10 IJEE CCSc1nnc(COC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2331569352 LDZJBHHBDHTKJY-UHFFFAOYSA-N 446.960 4.660 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(F)c(F)c2Br)OC1(C)C 2364856398 ZQDJASLLHXOZAA-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1SCC(=O)Nc1c(C)cccc1C 3635941 UTKJFQLVTMWXTD-UHFFFAOYSA-N 431.565 4.884 30 10 IJEE Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(O)c(O)c(Br)c3)S2)cc1Cl 15015852 AOQSPDOTDVANGV-NSIKDUERSA-N 439.718 4.714 30 10 IJEE Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3cccc(Cl)c3)CC1=O)N2 17095131 CMMRZYIEGPYWHZ-ZSEKCTLFSA-N 426.854 4.934 30 10 IJEE CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 21222203 JSNVAHXSVBFLRI-WIYYLYMNSA-N 434.492 4.634 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(F)c2)Nc2cc(C)ccc2C)c1C 32973235 CLNJKEAARKBTEC-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)SC1=S 33400537 JFOUQCMRMRMUPA-PDGQHHTCSA-N 445.949 4.955 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)o2)c1 33458447 FMKHQPYKKUIYOL-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE COc1cc(O)c(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1 33837066 HMQXPTKOKXZEAP-WGOQTCKBSA-N 426.476 4.979 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1 38277312 KCFANCWAXMNLOU-VWNXMTODSA-N 449.547 4.966 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 63401668 BGWLLZXJSIJYOL-UHFFFAOYSA-N 436.443 4.819 30 10 IJEE COc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)ccc1OCc1ccc(C)cc1 64981403 DUMXINYEGBDRKD-VULFUBBASA-N 438.491 4.848 30 10 IJEE C=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 66062515 DQVKYPXSBBEHLS-IBGZPJMESA-N 429.520 4.793 30 10 IJEE C=C(C)COc1cccc(NCC(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)c1 66063127 OMMPOTMVMKOFDY-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE C#CCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)[C@H]1CCc2ccccc21 110981829 XQTZTZRSHVJNGD-QFIPXVFZSA-N 441.556 4.783 30 10 IJEE COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OCc1ccccc1 169938267 ZANHIIRQUZVYNZ-XMMPIXPASA-N 444.556 4.950 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(F)cc1 169940876 SHZLLLNHWDUUGK-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE COC(=O)c1sc(N/N=C\c2ccc(OCc3cc(C)ccc3C)c(OC)c2)nc1C 169941496 UAQBVRCCJDCQRA-MSXFZWOLSA-N 439.537 4.889 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)cc1 169968086 KOPFWQIQMZZFHG-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170030551 MDBXTQSOIPXJIG-XXBNENTESA-N 447.487 4.589 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 170060075 XKVHPIPNYWQMLG-LJQANCHMSA-N 433.335 4.523 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)c1 170081123 KTJPJOIXSZFCKR-NRFANRHFSA-N 435.863 4.837 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@@H]2c2ccco2)c1 170099181 BEJUHASFCQJQFJ-HXUWFJFHSA-N 431.423 4.695 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1OC 170159539 SRKVAUXLTQRUSX-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 170235458 VZGHJFQRCXTMOY-LJQANCHMSA-N 438.823 4.620 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccccc3F)ccc2O1 170249228 RKEIOEYULSDBNI-CMJOXMDJSA-N 429.447 4.932 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccc(O)c1 170260030 NDQRVOLROHVANK-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)cc1C 170290643 SAFDGEPUYRONEG-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccco2)cc1C 170297566 JFMJEJKYFMANDM-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(C)o2)c1 170304614 HXNLPBIVOGOKHY-QHCPKHFHSA-N 445.471 4.710 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(OC)ccc1Br)NCC 407532554 RDQPMVSDDOKWMT-OALUTQOASA-N 441.410 4.838 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C 410353087 KLNNVXAIRKRLTC-HXUWFJFHSA-N 429.358 4.961 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)NCC2CCC(C#N)CC2)cc1 441137617 SYGVHEGRSOYTNP-UHFFFAOYSA-N 428.536 4.537 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 466682006 VYUVKWNFRZRZAE-AWEZNQCLSA-N 428.436 4.919 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 499440378 YLVTWNQGSWTHSA-UHFFFAOYSA-N 430.533 4.833 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1ccc2ncccc2c1[N+](=O)[O-] 535719712 RFCRRGCKYODISU-UHFFFAOYSA-N 433.493 4.959 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 579776152 YJLUBNMRPHSJFF-XMMPIXPASA-N 426.520 4.958 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N(C)c3ccccc3)C2)c1 585881366 WSXJCVJITSVWEF-JOCHJYFZSA-N 434.584 4.975 30 10 IJEE COc1cccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)c1 586090651 DNNXDLCJKMSJLV-ZDKYFILQSA-N 435.568 4.517 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1cc2c(cc1Cl)OCCO2 608929943 DTGBOIAGJYKGOR-AWEZNQCLSA-N 432.929 4.547 30 10 IJEE N#C[C@H]1CN(C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCN1C1CC1 732648950 YCGMYJHEOHQDJS-UWJYYQICSA-N 429.948 4.511 30 10 IJEE COc1cc(-c2nnc(SCc3cc(Cl)ccc3OCC#N)o2)cc(OC)c1OC 735231018 MHYGMFWTMXUSQB-UHFFFAOYSA-N 447.900 4.610 30 10 IJEE CC(C)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 739589607 CNOAYBNQYTXBLM-UHFFFAOYSA-N 442.537 4.538 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 746070497 RZTOIEYFSOBBCB-AUUYWEPGSA-N 425.872 4.969 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1nc(C(=O)OCC)cs1 749127299 BRKBCAZLCUKGLF-UHFFFAOYSA-N 444.516 4.763 30 10 IJEE N#Cc1ccc(N2CC[C@H](OC(=O)c3csc(-c4cccc5ccccc45)n3)C2=O)cc1 778190894 HBHRZUPOWLBIRP-QFIPXVFZSA-N 439.496 4.797 30 10 IJEE CC(C)Sc1cc(Br)ccc1C=NNc1ccc(S(C)(=O)=O)cc1 779771721 DEKWLRHJAPDELI-UHFFFAOYSA-N 427.389 4.799 30 10 IJEE O=C(/C=C/c1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc(C(F)(F)F)nc1O 783704994 FBJMAEIXJPYPMI-ORCRQEGFSA-N 429.185 4.590 30 10 IJEE CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\COc3ccc([N+](=O)[O-])cc3C2=O)cs1 788358249 GBEZTPUQSPXEAR-MDWZMJQESA-N 439.424 4.534 30 10 IJEE C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 800774884 FNGIRYKSBLGLHF-UHFFFAOYSA-N 427.552 4.717 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)N(c3ccccc3)c3ccccc3)n[nH]2)o1 1084467319 NPUBAIURKGNBOK-UHFFFAOYSA-N 446.536 4.999 30 10 IJEE C#CCOc1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c1 1126140632 CASRDLNNVUYWDY-UHFFFAOYSA-N 437.499 4.741 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(=Cc3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1127180393 OUEDNWDGANZEGG-VWLOTQADSA-N 426.532 4.625 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1129202532 DOEWNTWYHOUNTG-AWEZNQCLSA-N 436.537 4.645 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)C1 1143068192 LMDUKHUQWIKAAJ-GOSISDBHSA-N 444.984 4.633 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cc(Br)ccc1F 1143311886 LNNVLIWZHBXUDX-UHFFFAOYSA-N 444.304 4.611 30 10 IJEE C=CCn1c(O)nnc1SCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OCC 1188971700 QPTLEZMXJIOHGD-UHFFFAOYSA-N 446.532 4.854 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccnc(-c3ccccc3)c2)cc1 1199059572 VUJMFBGALRHSJU-UHFFFAOYSA-N 426.520 4.885 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1ccccc1 1213548847 PXLLLYOKFXOQNK-QGZVFWFLSA-N 439.331 4.733 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CCCN2CC(F)F)cc1Cl 1214721262 APLPOYDOWUMYDZ-HKUYNNGSSA-N 432.902 4.846 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 1219437050 CHQGXGUXFNUBET-KUHUBIRLSA-N 436.434 4.827 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1227841074 GQIPUCJABIPXDW-PXNSSMCTSA-N 429.351 4.821 30 10 IJEE C=CC[C@]1(C(=O)NCc2cccc(COC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1264878091 OEMIQNCFEUDLPV-RUZDIDTESA-N 430.589 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccccc1F 1286303733 DQZHSWBPFUUJCG-DBXWQHBBSA-N 426.580 4.772 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1c(C)noc1C 1286315241 LFICZWOAMUPHRK-UHFFFAOYSA-N 429.471 4.591 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCC1CC(OCC)C1 1286455722 IHNSEZNENKSIIQ-SDVLMSEASA-N 440.563 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCCSC 1286520525 NMIVOTNEPPBZOR-HSZRJFAPSA-N 426.586 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCOC1 1286527127 BDMLHGFBVCJGGC-FQRUVTKNSA-N 436.600 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286548792 BUJJRRBETWABTD-LMQGHGSNSA-N 430.980 4.583 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)c2)CC1 1286657194 VKMTXNQSSKMCNB-NRFANRHFSA-N 448.615 4.804 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286670817 KYQCSNYWSQEMRU-HXUWFJFHSA-N 426.561 4.530 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1286706445 QOPSQOPPBFTSGU-UHFFFAOYSA-N 430.618 4.939 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1CCO[C@@H](C)C1)C1CC1 1286731578 QILOJZJGDNXTGB-PMACEKPBSA-N 437.588 4.507 30 10 IJEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(CC)(CC)SC)C1CC1 1286736908 JHAZWMVWHJXDOZ-FQEVSTJZSA-N 428.602 4.867 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)c2c(C)noc2C)cc1 1289860646 FVFXFHOOHLPOMC-SJORKVTESA-N 438.601 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CC2(CCOCC2)C1 1300274288 JTTWFZIFBQZQMU-FPOVZHCZSA-N 436.600 4.700 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCSc1ccccc1 1300275902 BTZRMDSDTDTVGK-OAHLLOKOSA-N 444.402 4.676 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)C[C@@H]1CCCO1 1300745338 JEGIAJFMBCSNJZ-INIZCTEOSA-N 439.412 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC1(CCOC)CCCCC1 1300807125 HBHFHFIQFBJBEY-HSZRJFAPSA-N 441.645 4.613 30 10 IJEE C=C(C)Cn1c(N2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1300965665 VGTLTOWXHHBSQI-VXKWHMMOSA-N 449.643 4.845 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2c(C)noc2C)CC1 1301109161 GIYMIYLMWRYRDY-GOSISDBHSA-N 439.535 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](C)COC)CC1 1301114248 LPMOHSILSRZDDN-LJQANCHMSA-N 436.556 4.802 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 1301220563 COJMOMRHGSBGBS-LJQANCHMSA-N 429.565 4.588 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301234453 MEAJDSPCRXNKNC-CEXWTWQISA-N 441.576 4.950 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1301350280 VCLCJEIEDDGOEE-CJFMBICVSA-N 442.579 4.636 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CC)s1 1301411275 XBBXPKAZQRJNBK-SFHVURJKSA-N 426.586 4.672 30 10 IJEE C=CCn1c(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1301473415 BFRCCFQTLPIBEA-IBGZPJMESA-N 447.549 4.645 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(F)cn2)C1 1301542461 OCRAKFQDKXTXHZ-KRWDZBQOSA-N 448.329 4.616 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301594370 AZUCNNMXKAYMCW-ROUUACIJSA-N 437.654 4.547 30 10 IJEE C=CCSCCn1c(N2CCC(N3CCc4cc(F)ccc43)CC2)nnc1C(C)(C)C 1301620756 KJCIDXTUGGUKTL-UHFFFAOYSA-N 443.636 4.665 30 10 IJEE CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 1303313423 GEJYHYBUOAAUJF-JOCHJYFZSA-N 438.572 4.601 30 10 IJEE Cc1noc(C)c1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CCC(C)C 1304886725 GLHPJQQPPCZNKN-UHFFFAOYSA-N 440.979 4.942 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1nc2c(Br)cccc2s1)C(C)C 1310699228 OQENCJMUCQOBEF-OAHLLOKOSA-N 437.407 4.879 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCc2cc(OC)ccc2C1 1310862252 GJYUSYOCRHDTBX-QGZVFWFLSA-N 431.330 4.702 30 10 IJEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3(c4ccc(Cl)cc4)CCCCC3)C2)nc1 1311818146 HKHOTSABPXFQIK-NRFANRHFSA-N 438.959 4.671 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 1312991867 RHNVFEYOMHZQLQ-YPAWHYETSA-N 427.589 4.920 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)cc1C#N 1336366768 DTQGDMFRKORXHR-UHFFFAOYSA-N 441.944 4.770 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(I)cc1 1349909693 CMQWAOWHUNEGOI-UHFFFAOYSA-N 431.726 4.763 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)Cc2ccccc2C)c(C(=O)OCC)c1C 1353746419 MPLXTRMIVLVROK-OAHLLOKOSA-N 429.538 4.702 30 10 IJEE C#CC[C@]1(C(=O)O[C@@H]2CCc3c(OCC4CC4)cccc32)CCCN1C(=O)OC(C)(C)C 1356457760 KXLSKUYZHXNYCA-ATIYNZHBSA-N 439.552 4.799 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C)c1ccccc1 1357221016 VVCCJUZLABGKCW-RDPSFJRHSA-N 440.609 4.995 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1Cc2ccccc2O[C@@H](C)C1 1358918184 MVQUWYCIIRKHNM-XKCSPQBFSA-N 436.600 4.788 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccc(Oc2cccc(F)c2)nc1 1359063370 QCYKPNRHFWANTA-RUZDIDTESA-N 433.531 4.942 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2C)C1 1359129205 VAWIFEWTAREYOQ-HXUWFJFHSA-N 437.975 4.889 30 10 IJEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCSC(CC)(CC)C1)c1ccccc1 1359139266 PSYIVNBQCZAKHE-NRFANRHFSA-N 426.630 4.998 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2cnn(CC(C)C)c2C)CC1 1359167473 HKGYVQXUMSDHPX-UHFFFAOYSA-N 432.616 4.819 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C2CCCCC2)N(C)C)CC1 1359176987 WONRPKZJWHECHI-HSZRJFAPSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359191328 VXMLLJKXLLOTCX-UHFFFAOYSA-N 426.609 4.863 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(C)C)C1)c1ccccc1 1359194324 SZPHVBFGYIRMPL-LADGPHEKSA-N 431.584 4.870 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1359194960 DOTZSZATANZDST-DRLORSAXSA-N 438.616 4.783 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359210755 GMTBPMKGDZNXGL-VFNWGFHPSA-N 437.371 4.602 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1359244887 UMMRQPZASMANSJ-UHFFFAOYSA-N 445.633 4.758 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1359337777 AAOHPPKKNUQJSY-HXUWFJFHSA-N 448.658 4.603 30 10 IJEE C#CCOc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1 1359847794 XLCVAHGIMRVLBD-UHFFFAOYSA-N 431.363 4.744 30 10 IJEE CC(C)C(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1360482625 HXEXLGRXIRAYKU-ROUUACIJSA-N 432.613 4.771 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccnc1-n1cc(Br)cn1 1435107974 HQHJFAHWYCNPKU-ZDUSSCGKSA-N 442.342 4.534 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(C(=O)N4CCCCC4)c3)c2)nc1 1435264233 HUFRPOADTTXLNH-UHFFFAOYSA-N 426.476 4.624 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)c1ccc(F)c(F)c1 1435951005 LIDVIISDZQTCRR-KIVTUJJHSA-N 440.490 4.747 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1436276055 STBMGPNQDVSSBX-WMQCIHAUSA-N 425.529 4.658 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C)Cc1ccc(F)c(Cl)c1 1454785721 HJVYNFSMIOLBTN-AUSIDOKSSA-N 436.955 4.709 30 10 IJEE C=CCN(CC(=O)NCc1cccc(OC(C)C)c1)Cc1cc(Br)ccc1F 1459419333 QFVSYALFJOLKKC-UHFFFAOYSA-N 449.364 4.680 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c(OC)c1 1459730675 UVWOFSGDZGCTMP-QGZVFWFLSA-N 435.351 4.504 30 10 IJEE Cc1cc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)ncc1C#N 1461216194 DDPXCPWZGWEBFA-UHFFFAOYSA-N 436.581 4.835 30 10 IJEE C=CC(C)(C)CCNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 1461786008 ORHAATKWMDHHBC-UHFFFAOYSA-N 445.357 4.799 30 10 IJEE CC(=O)c1ccc(Br)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1462890097 RCCMXDUSWFLBQN-UHFFFAOYSA-N 436.265 4.963 30 10 IJEE C=CCC(C)(C)C(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1462976662 NFUZXFMQWINQSS-RTBURBONSA-N 428.573 4.745 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)C1 1469920644 NMWNTAJIFQRLGF-HNNXBMFYSA-N 443.341 4.835 30 10 IJEE C=C(CNC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1nc(C(C)(C)C)cs1)C2)c1ccccc1 1470419222 COPYIJOWHUMSFC-PMACEKPBSA-N 439.625 4.764 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cc(C)cc1Br 1475384816 IJBFMGNNLUDYLD-OAHLLOKOSA-N 428.779 4.877 30 10 IJEE N#Cc1ccc(F)c(NC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1 1476714979 GGJZNAVSSSAKQQ-UHFFFAOYSA-N 429.858 4.811 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc2c1OC(C)(C)CC2=O)c1ccc(Br)cc1 1476956534 RQTOOXUTFWZEFL-MRXNPFEDSA-N 427.298 4.689 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)CC(C)(C)O1 1494234483 BPKDWZCNTXRASA-HNNXBMFYSA-N 441.988 4.778 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCN1C1CCCCC1 1507544124 SJFIPZUAOKNYIT-VWNXMTODSA-N 449.643 4.729 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1507581258 SZNIZZYFHKSDBL-UHFFFAOYSA-N 428.927 4.572 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1nc(C)cs1 1507602677 PIIVWKKJLVGFSF-HOCLYGCPSA-N 429.977 4.710 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(C)n1 1507662916 PQZMBGNRPVOPFG-LJQANCHMSA-N 443.620 4.540 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1507752729 DCEMYTABMAYNHO-UHFFFAOYSA-N 446.407 4.574 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H](CC)N1CCc2ccccc2C1 1507826414 NKUMQZUWRQDSLU-VWLOTQADSA-N 444.627 4.503 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507904447 QDQVEXGQRPMPFJ-FQEVSTJZSA-N 443.636 4.985 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCCCO1)c1ccccc1 1507928776 LSTSNCOJOYKTAO-RPWUZVMVSA-N 431.584 4.629 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@H](SC)C1 1507958761 CLZSHGGKYWHKOB-FQEVSTJZSA-N 437.613 4.808 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccsc1)C1CC1 1507988508 NLMXSHYDGRLSCT-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cc(C)no1)C1CC1 1507996270 VGAOEXZCWGHDAC-UHFFFAOYSA-N 434.327 4.663 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1Cc1ncccc1N(C)C 1508003038 RDZOGSGQGMRAQH-UHFFFAOYSA-N 430.600 4.713 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1Cc1cccc(C(=O)N(C)C)c1 1508007272 YKIQIQPULXZWAR-UHFFFAOYSA-N 435.597 4.550 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)c(OC)c1 1508009161 XVSAKTIWANYLSU-KRWDZBQOSA-N 444.988 4.746 30 10 IJEE C=CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1516155441 JYGKONBJLCDKRA-JOCHJYFZSA-N 434.561 4.921 30 10 IJEE CC#CCCCC(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1523435428 DMJUJTULSBGGGQ-GOTSBHOMSA-N 426.601 4.945 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccccc2Cl)cc1C)c1ccc(Br)cc1 1525054874 UBCIZCJXVUEVGG-KRWDZBQOSA-N 428.717 4.701 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc2c(cc1OC(F)F)OCO2 1525809211 IUPTXBQPQVGCRJ-UHFFFAOYSA-N 445.340 4.530 30 10 IJEE CC(C)(C)c1ccc(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)cc1 1526514914 FYDACMZXWHAUBE-QFIPXVFZSA-N 429.564 4.615 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(F)cc1 1528461776 KAKZVFZOSOFHES-IBGZPJMESA-N 425.257 4.880 30 10 IJEE N#Cc1c(NC(=O)c2ccccc2-n2ncc(Cl)c(Cl)c2=O)sc2c1CCCC2 1530387882 FJLGATOPKCTVLN-UHFFFAOYSA-N 445.331 4.604 30 10 IJEE C=CCCn1cc(C(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)nn1 1532053872 HJJIHCLOGOHCKK-GFCCVEGCSA-N 446.374 4.540 30 10 IJEE Cc1cc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)nn1-c1cccc(C#N)c1 1532336020 BDATUBHXPNOULD-UHFFFAOYSA-N 433.924 4.759 30 10 IJEE C=CCC1(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCCC1 1532896331 AHPMVKYVGWXPRP-UHFFFAOYSA-N 432.630 4.579 30 10 IJEE C#C[C@H](NC(=O)c1cc(I)c(Cl)cc1Cl)c1ccc(F)cc1 1535459279 MAJDYCKTJJLRNJ-HNNXBMFYSA-N 448.062 4.841 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1)c1ccc(F)c(F)c1 1537692403 QNIJUBDNWNFUSE-JOCHJYFZSA-N 448.535 4.541 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CCCC1(C)C 1538657371 LHVNJPAKOOXJKV-RTWAWAEBSA-N 430.589 4.724 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(S(=O)(=O)C(F)F)c2)cc1F 1539373557 CRNHPJCGJSEVTB-UHFFFAOYSA-N 446.406 4.738 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(c2nccs2)CC1 1539505523 KTQWCWMLEXMTCG-UHFFFAOYSA-N 444.029 4.805 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(C)C)C1 1539702026 XLKGCBRTHBZVBM-PMACEKPBSA-N 431.625 4.841 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](COC)C1 1539734585 AIGPAJWZMGYGKT-HXUWFJFHSA-N 426.605 4.698 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1O 1539829347 WIPQUWCFMBYITF-UHFFFAOYSA-N 425.120 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1539905717 FJUTYTIZXUNHCS-KRWDZBQOSA-N 428.577 4.568 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1Cc2cccc3c2[C@H](CCC3)C1 1539947434 MFXVDRCGHDVGCC-OAQYLSRUSA-N 435.616 4.993 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cc(C)oc1C 1540180878 XZRRHSQCPWIJGB-AREMUKBSSA-N 445.567 4.626 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC([C@H]2CC2(F)F)CC1 1540856102 SFCJKZQEPDKQIE-OAHLLOKOSA-N 441.295 4.904 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1 1540881902 WLEGTWRBWLRPJK-FYYLOGMGSA-N 449.599 4.550 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@H]2CCCCO2)C1 1540896823 UPNWJCVQLKEBKR-NHCUHLMSSA-N 442.629 4.619 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](OC)C1 1540910051 VZUFZDMGGSLKDV-WOJBJXKFSA-N 430.618 4.569 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)C1 1543550223 CJRGQCHLZLSAIS-ZIAGYGMSSA-N 446.502 4.823 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)OCCc2sccc21 1554133120 BYIRGKJOAYHLRD-XMMPIXPASA-N 435.597 4.849 30 10 IJEE C#Cc1ccc(CNC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)cc1 1556666229 WJJZCRZJCULQIH-UHFFFAOYSA-N 446.432 4.864 30 10 IJEE C=CCn1c(SCC(=O)N2CC(C3CCCCC3)C2)nnc1-c1ccc(Cl)cc1 1556800723 IBSXJLUROOBMNO-UHFFFAOYSA-N 431.005 4.915 30 10 IJEE C=C(Cl)C[C@H](Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-])C(=O)OCC 1559256588 NQWHDXTYIKDXKV-SFHVURJKSA-N 431.876 4.642 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CSCC(C)C)c1ccc2c(c1)OCCO2 1559318762 AZQADXIOJDFGQP-UHFFFAOYSA-N 427.566 4.945 30 10 IJEE C=CCN(C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(OCC)cc1)CC[C@H](C)C2 1559768335 DUEULZMABVSXCT-INIZCTEOSA-N 426.582 4.559 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccnc1Oc1cccc(OC)c1)c1ccc(Cl)cc1F 1564134839 YKVJDAANALJVEP-OAQYLSRUSA-N 439.874 4.849 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc2cccc(C(F)(F)F)c2nc1O 1566249979 GDZABBORJWIGJC-UHFFFAOYSA-N 438.327 4.760 30 10 IJEE O=C(Cc1ccc(O)c(F)c1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1584362976 CHPOWSZLAAUUGU-UHFFFAOYSA-N 441.299 4.595 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCCc1cc(Br)ccc1SC 1585492328 FNYFMLADNBCSMF-UHFFFAOYSA-N 436.371 4.717 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1588099484 ODMCBKAWJVMUSJ-FGZHOGPDSA-N 443.595 4.522 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCN1CCCC 1588301778 BLHBIRXJOCPCBE-NRFANRHFSA-N 432.616 4.551 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCC[C@H]1CC 1588581348 OABBYWIDRJGPPV-RTWAWAEBSA-N 431.584 4.714 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1589124526 ABJPOXPAAYKABE-JSXRDJHFSA-N 430.662 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1589228513 PDUBPOUQLTWOCM-AREMUKBSSA-N 449.599 4.812 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2nc(C)cs2)CC1 1594014024 NKFOFDIOXQHTAQ-GOSISDBHSA-N 439.585 4.786 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@H](c1cccs1)N(C)C 1595094043 LBGGGJXWWBWSLG-OAQYLSRUSA-N 432.597 4.584 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C 1598443602 XPCMRCPITULHLT-QGZVFWFLSA-N 446.598 4.551 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)C1 1606718722 GKOSSEUUKQJEKS-GGAORHGYSA-N 434.632 4.811 30 10 IJEE C=CCn1c(Sc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)nnc1-c1cccc(Cl)c1 1612165262 SGFFBULKKMSUJC-UHFFFAOYSA-N 441.900 4.729 30 10 IJEE C=CCn1c(SCc2nccc(Cl)c2Cl)nnc1[C@@H]1COc2ccccc2O1 1613299074 HGOBMHQXUYFSSF-INIZCTEOSA-N 435.336 4.971 30 10 IJEE COc1ccc(-c2nc(SCc3cccc(F)c3OC(F)F)nc(O)c2C#N)cc1 1613307915 NFVVKMQRGJVYEA-UHFFFAOYSA-N 433.411 4.762 30 10 IJEE CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1621815154 DLXOGAVWGRXEJE-UHFFFAOYSA-N 449.960 4.546 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)ccc1Cl 1623301812 GAXURUHTKFNDRY-OZOXKJRCSA-N 444.984 4.640 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(C)s3)n[nH]2)c1C 1625822025 ZEQMAHVOGPPLGE-UHFFFAOYSA-N 435.553 4.882 30 10 IJEE C#CCONC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)C[C@H](C)C2 1629149969 LSWGRNLPPXJHMQ-CIJMEZBMSA-N 425.532 4.718 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(Br)c1 1629723609 VAILKFVMMZXJOC-KRWDZBQOSA-N 425.367 4.657 30 10 IJEE C=CCC[C@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 1632367104 GCVKLXKKHWILOJ-SFHVURJKSA-N 426.385 4.537 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C)c(O)c1)c1ccc2c(c1)OCCO2 1633061975 DYLFMFYQXFGNFX-UHFFFAOYSA-N 431.488 4.884 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 1635193986 KYVLTOPRDDITNI-FQEVSTJZSA-N 443.519 4.988 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(Cc2cccc(Cl)c2)CC1 1637613488 CCDKTEMNPRXJNC-QGZVFWFLSA-N 427.372 4.815 30 10 IJEE C=CC[C@]1(C(=O)N2Cc3ccccc3OC3(CCC3)C2)CCCN1C(=O)OC(C)(C)C 1638094384 RQBYIVUJBANDDO-RUZDIDTESA-N 426.557 4.676 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1639869503 NJEYIDUTTCYHMA-NHCUHLMSSA-N 444.575 4.813 30 10 IJEE C#CCN(c1nccc(Oc2ccccc2)n1)[C@H]1CCOc2ccc(Br)cc21 1651530805 NQAHOPIIHPXOHX-IBGZPJMESA-N 436.309 4.995 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1653274838 RNSNACHRURFWMC-NRFANRHFSA-N 443.360 4.836 30 10 IJEE C=CCCn1cc(CNC[C@@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)nn1 1656798585 OQMHZJGGYACVCH-DEOSSOPVSA-N 435.641 4.928 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)Cc2cccs2)c1 1657707141 YGOVSVGIIBDYAN-UHFFFAOYSA-N 431.561 4.513 30 10 IJEE C=C[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1665492998 VDCDUJIILDRCMS-KRWDZBQOSA-N 431.558 4.514 30 10 IJEE C=CCCC1(CNC(=O)Nc2cc(S(=O)(=O)N(CC)CC)cc(C)c2C)CCCC1 1667046865 KHGBEFFYYQRKJF-UHFFFAOYSA-N 435.634 4.982 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1671186704 CLDURNFBJOUYCP-GOSISDBHSA-N 431.458 4.747 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(CCNC(=O)OC(C)(C)C)cc3)cc21 1673307581 WVIYWXTWNDSNOL-UHFFFAOYSA-N 449.555 4.611 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C 1679243376 GCYMIROQJVGXNL-TXTKFYIRSA-N 448.563 4.964 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@H](Oc4ncccc4F)C3)c2)s1 1679507299 HMGCRIWYJSOYAA-SFHVURJKSA-N 436.512 4.574 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1 1681063360 SRRMNRJYCVREBY-IBGZPJMESA-N 431.540 4.989 30 10 IJEE C#C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 1683675934 ILQGKIOQWWYHST-FQEVSTJZSA-N 437.893 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cccc(C)c1 1689835413 MDNFLGYTWYXMGH-MOPGFXCFSA-N 434.609 4.977 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@](C)(OC)CC1 1689879855 JIVCGBYMCFVDTF-QFIPXVFZSA-N 445.405 4.907 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1ccco1 1689906754 SBGLDUOZNZFKPI-MOPGFXCFSA-N 441.576 4.944 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCO[C@@H](C)C1 1690007796 JJMSOLZGEAAVMI-OALUTQOASA-N 448.567 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)COCC 1690193843 UAHBUGSFLWQGLC-HOYKHHGWSA-N 428.552 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1noc2c1CCCC2 1690256615 QLNQOERPRVUWFV-QGZVFWFLSA-N 439.535 4.875 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CC2)CC1 1690404595 KPJNSDUJMROZCD-SSEXGKCCSA-N 426.630 4.556 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1690412346 MURUSSYAZHRGKB-NZQKXSOJSA-N 429.008 4.986 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1690540800 BQVAHFYGEOQNPM-YLJYHZDGSA-N 429.996 4.990 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCc1ccncc1 1690579578 ODBAITKINCAHCP-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690586401 MCMNGZWPVFUZGA-UHFFFAOYSA-N 449.555 4.737 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCCCC1 1690601769 BNWWLSLFDPCVBX-UHFFFAOYSA-N 432.616 4.773 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690604513 WDSHPMOJMJSNGF-DVKRWUGUSA-N 438.616 4.958 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1CCc1cc(Br)ccc1F 1690605818 YTIYFDPRUDHMSI-UHFFFAOYSA-N 433.325 4.559 30 10 IJEE CC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(CCC#N)CC2CC2)CCOCC1 1692869615 DKEMDSSOIIPFOL-UHFFFAOYSA-N 431.943 4.684 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1692923118 IECWWLJRDWDSOR-MBSDFSHPSA-N 433.556 4.950 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCCOC(C)C 1705480680 VAXYDSLCGWBPMU-HNNXBMFYSA-N 437.357 4.510 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1705526836 MUYTUPMWPUVEJG-PZJWPPBQSA-N 447.583 4.626 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@H](C)C1 1705677139 CKLBVXCBMPQRIX-YDIMBITNSA-N 442.991 4.708 30 10 IJEE C=C(Br)Cn1c(N2CC[C@@H](OCCCc3ccccc3)C2)nnc1C(C)(C)C 1705692570 NEFDTXOYIZVXIN-LJQANCHMSA-N 447.421 4.712 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1705722084 TXWDMIPEYFOAJJ-UHFFFAOYSA-N 429.565 4.648 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C)CC1)c1ccccc1 1705797689 AGLCHGKPNUESIA-IGABQKFOSA-N 438.616 4.988 30 10 IJEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)C1CCCCC1 1705889493 ACCCZCXWILWEKN-SFHVURJKSA-N 434.588 4.827 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCCCCC[C@@H]21 1705947741 WCIOHLSFQUCORU-RTWAWAEBSA-N 426.630 4.956 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@]1(C)OCCc2sccc21 1706461441 AABXKJPPSZBERZ-QHCPKHFHSA-N 438.601 4.589 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nc(C)cs1 1722376590 URBBGJSSYMWLMH-UHFFFAOYSA-N 437.981 4.699 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1cccs1 1722388046 PBOKRAFBWLHETC-UHFFFAOYSA-N 426.998 4.601 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1722414678 FUQWSKVPUSTQLI-OAQYLSRUSA-N 443.636 4.650 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccoc1C 1722488637 AHEWYJWMWLTULY-UHFFFAOYSA-N 431.334 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(F)cc1F 1722495178 QFJCDSRPUNRXRQ-UWJYYQICSA-N 428.483 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1c(C)noc1C 1722513575 AMMVVSSFSZCNPF-OAHLLOKOSA-N 429.515 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(C)s2)CC1 1722560970 KZYOMRZEGJPARV-UHFFFAOYSA-N 440.569 4.546 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1722569218 RDWHLSMPJYQLBU-UHFFFAOYSA-N 429.609 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1722589622 LLITUDYYDYTKGP-UHFFFAOYSA-N 448.036 4.528 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cc(Cl)ccn1 1722601266 GWBCUXZKOSDYNF-UHFFFAOYSA-N 425.920 4.715 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1722661172 VPAUHXOJPIBUAQ-UHFFFAOYSA-N 433.622 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1Cc1sccc1C 1722661403 DPBZXMHWAKUDOF-QFIPXVFZSA-N 444.626 4.603 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCSC(F)(F)F)c2ccccc2n1 1724203293 AOJUVHHKQIPLTN-CQSZACIVSA-N 434.491 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc([C@@H](C)O)cc1 1740540224 UGRGXRFETDAIBL-FGTMMUONSA-N 434.609 4.691 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@](C)(O)C1CCCCC1 1740558549 GISKMBAFMMGQJA-DVECYGJZSA-N 426.630 4.668 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740667121 QLYDSCDBKXLNGH-OALUTQOASA-N 428.024 4.815 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1740673576 ZFZZPUIXDXSOFJ-RDGATRHJSA-N 433.644 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)Oc1ccccc1F 1740730724 GYCBFZHEDHMVQE-UTSGNWPNSA-N 426.536 4.509 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@@H]2CCOC2)CC1 1740869445 NNDYKVPCSMWWSU-GOSISDBHSA-N 430.980 4.826 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCc2cc(F)cc(C)c2C1 1740886814 SYOCQMKAKDTLOI-UHFFFAOYSA-N 426.561 4.533 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1Cc2ccccc2[C@@H]1C 1740888811 JFYIGLTZKIYGGL-HNNXBMFYSA-N 442.361 4.710 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(Oc3ccccc3)nc2)C1 1740971279 VFORTALWQMXKSJ-OAQYLSRUSA-N 433.556 4.593 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccccc1Cl 1741135889 FEKFMZWUIDJTIC-SQGPQFPESA-N 445.995 4.525 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCC2)C1 1747482223 DLPGIKZMEZIRHQ-RTWAWAEBSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc2c(s1)C[C@H](C)CC2 1748654071 DTHFVVSJXCVHOT-KGLIPLIRSA-N 443.979 4.825 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H](OC)C(F)(F)F 1748655143 RVRGPSVSCHRHKG-IAQYHMDHSA-N 435.277 4.677 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1749044742 SYMJDDGVUSEWIO-OAQYLSRUSA-N 438.622 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1749072426 NJEYMOBRIHMQDG-RPLLCQBOSA-N 433.644 4.868 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCC(C)CC1 1749216848 UWTSPLLREOSAET-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2cccnc2)C(C)C)CC1 1749293980 JQKDNGCUDPCMAI-HSZRJFAPSA-N 447.583 4.954 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)C2CCCCC2)CC1 1749305337 FXSGNLBSGROIFK-UHFFFAOYSA-N 425.596 4.819 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1749536276 GKCSOGNGRDYYCJ-UHFFFAOYSA-N 427.339 4.782 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C1 1749703921 RMCUVLQTLLAVEA-FQEVSTJZSA-N 433.581 4.637 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1(COC)CCCC1 1760178149 BLDFLSYPKHPLHS-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1oc(CCC)nc1C 1760178744 YYPBUDLYFPUDKL-UHFFFAOYSA-N 448.354 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C(C)C)N1CCCC1 1760288685 IHVPIKDBKNLZEQ-CLCZQPDDSA-N 433.644 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(COC)c1 1760330613 JPLWUJBHFXQVKP-UHFFFAOYSA-N 444.377 4.633 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCCC[C@H](SCC)C1 1760348321 JRSLWCUQFWMPFM-IBGZPJMESA-N 430.618 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](CC)C1 1760408264 HJYQHSAGNXWPEP-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N(C)C1CCN(CCC)CC1 1760408454 CDTNHDBYIYYCHJ-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCn1cccn1 1760409161 LSOWSOPSAGLRHS-UHFFFAOYSA-N 443.393 4.643 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@H]1C(C)C 1760482618 KLCFJOSGBZHTBD-BVAGGSTKSA-N 445.611 4.908 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H]2CC)o1 1765621696 ANQKKEVCXBBOFH-DYESRHJHSA-N 448.571 4.651 30 10 IJEE CCCCOc1ccc(C=NN=C2NC(=O)[C@H](Cc3ccccc3Cl)S2)cc1OC 1772742456 RLJZQOYGDRDHDL-FQEVSTJZSA-N 445.972 4.692 30 10 IJEE C[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)OCc1ccccc1 1860826441 CDBQJZJVEIGBKM-CYBMUJFWSA-N 425.897 4.598 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1OC 1862386478 OHACTMJJNORQLJ-IBGZPJMESA-N 448.302 4.751 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C 1862404201 OZHLQXGSRGFXBX-OAQYLSRUSA-N 438.480 4.536 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(Br)c2)cc1C 1862409726 RULNMHIXWLNHNZ-IBGZPJMESA-N 444.325 4.753 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430335 IKIVASXAWVIWFN-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1862438640 CUZUZRDSMPDXAM-KRWDZBQOSA-N 432.701 4.867 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1Cl 1862491293 PIQPEBKRHYQYQR-QFIPXVFZSA-N 440.971 4.877 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(Br)cc2)cc1 1862522359 HFPTZHGNNXDPNE-LJQANCHMSA-N 444.325 4.836 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OCC)cc1 1862525676 HSXYFGSWAILNAA-IBGZPJMESA-N 442.309 4.612 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862619678 AKZKYPMSXCFLBJ-NRFANRHFSA-N 433.504 4.535 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862677858 KSFGZQRQPFFXFL-JOCHJYFZSA-N 439.527 4.864 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1C(=O)O 1862714530 KYZNUXURAXWTFY-IVZQSRNASA-N 429.472 4.915 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc4c(O)cccc34)C2=O)c1 1862926260 DPVQBHMXIMDGEU-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(F)c(Cl)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863059322 ZZYOJAACUXUTKL-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1 1863069644 YMTJOTCGMDDTAL-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863461155 VQWOXRNSIDXHRZ-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE COc1ccc(Cl)cc1C(=O)Nc1c(C#N)nnn1-c1ccc(Cc2ccccc2)cc1 1870143561 RCOUONOWBJCFSF-UHFFFAOYSA-N 443.894 4.644 30 10 IJEE C=CCOc1cn(CCC2=CCCCC2)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870387853 WHXCQLIOCOEJOA-UHFFFAOYSA-N 447.623 4.621 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CCCOCCCC 1870621598 TVTQLFYBZHAODE-UHFFFAOYSA-N 442.575 4.947 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCOC(C)C)C3 1871346240 RELPTDVJZWKOKW-UCQKPKSFSA-N 437.536 4.977 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(CCOc1ccccc1)CO2 1871346455 GXBALQGQOWERLA-UCQKPKSFSA-N 431.463 4.981 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871366661 LMUMMIXERZFPIF-UUYOSTAYSA-N 434.444 4.896 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871878140 BXNMYLRYZNZNBW-FQEVSTJZSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCC 1872156654 POPROYCMIMWRKH-QHCPKHFHSA-N 449.661 4.648 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872575412 MTIPOMMDSNMSBK-JOCHJYFZSA-N 444.597 4.523 30 10 IJEE N#C[C@H](C(=O)c1ccc(-n2cccc2)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872772280 BSBOBSSEUKWPAD-LJQANCHMSA-N 427.485 4.862 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccccc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872787326 HJVZEHBGJILBJD-HNNXBMFYSA-N 430.316 4.723 30 10 IJEE C=CCN1C(=O)C(NCCCCC)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1873132553 WGIWBZNTOKDFFJ-UHFFFAOYSA-N 434.380 4.770 30 10 IJEE COc1cccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1873219790 DBVGVPMJMCEXMV-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)/C=C/c1ccccc1Cl 1873675645 IOTNQQKAGQGHCW-VAWYXSNFSA-N 435.936 4.519 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874216839 HQZNWNJBXWWMSG-FOKLQQMPSA-N 444.944 4.820 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)c(O)c1 1874320414 QAQLOBSNTRTHIO-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cc(Br)ccc1F 1874350067 SANDIUWLDCDSMK-WSDLNYQXSA-N 449.349 4.773 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1C 1874435020 JKPLEFUDTFDNMT-YSURURNPSA-N 448.379 4.704 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874436847 SGFZKTUVOYYLKS-CVKSISIWSA-N 446.580 4.961 30 10 IJEE CC(C)(C)Cc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccccc1 1874439984 CUKPYALSDYGYKL-ZVHZXABRSA-N 432.553 4.690 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)OCCC)nnc2C(C)C)cc1OC 1874514972 ORONTBRFMKOJBM-OEAKJJBVSA-N 448.589 4.517 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(C(=O)OC)o2)cc1 1874525544 SHFCMCLOFJNFDC-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)c(OC)c1 1874587980 OBOAQQACQHILQD-SDNWHVSQSA-N 442.471 4.828 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-])NC1CCCCC1 1874627715 SFAIJOOZAIQZDU-UXBLZVDNSA-N 444.434 4.597 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)c1 1874706519 MJWJELXQRMESQD-CSKARUKUSA-N 448.471 4.836 30 10 IJEE COCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1875148398 CVVSYQNENFVNRM-KPKJPENVSA-N 426.509 4.839 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)CC2)cc1 1892327206 HUJNBXAMKGFIGB-UHFFFAOYSA-N 429.495 4.771 30 10 IJEE C=C([C@H](NCC)[C@H](O)c1scc(Br)c1Br)[Si](C)(C)C 1922918860 RIXVEFJRTMKAJV-RYUDHWBXSA-N 427.278 4.718 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 1950339718 SSPPRPJYXVTQJQ-CPJSRVTESA-N 427.589 4.739 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@]1(CN)CN(Cc2ccccc2)C2(CCCCCC2)C1 1950501127 WQSBMHVZOARNKE-SANMLTNESA-N 425.617 4.553 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1984779749 XLOPWFMZISXXHR-OUDXUNEISA-N 444.575 4.954 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c1 2057574330 WBRLRDUCQUSZJY-IECBHUPTSA-N 443.544 4.728 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cscc1Br 2066526641 JYYNSSUDSDQDBQ-WFASDCNBSA-N 431.396 4.890 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)O1 2073939214 XUSGRYTYVSYYFJ-ZLNRFVROSA-N 446.632 4.979 30 10 IJEE COC[C@@]1(CNc2cc(Br)cc(C#N)c2)CCCCN1C(=O)OC(C)(C)C 2162417517 FEYHCDZPRADNSK-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(c3ccc(C#N)c(Br)c3F)C[C@@H]2C1 2174813042 RFTKHIFLSLKECC-UKRRQHHQSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](Nc2cc(Br)cc(F)c2C#N)C12CCC2 2175036001 FRCNRMQJCUSODN-YVEFUNNKSA-N 438.341 4.955 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2ccc(Br)cc2Cl)C3)OC1(C)C 2194124662 MPMXTXXRSAGKJF-CWTRNNRKSA-N 440.574 4.801 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@H](O)c1cc(C(F)(F)F)ccc1Br 2228061193 XYXCPGGRXYJVCJ-ROUUACIJSA-N 430.264 4.602 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H](C)C1 2235723801 HYDNTQSGGAWHBY-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)C#Cc1ccccc1Br 2235728185 MCMOLDXFSMCMDP-LJQANCHMSA-N 426.310 4.736 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]12CC[C@@H]1CCN2C(=O)OC(C)(C)C 2235732870 SSGRCAYSUWAMCG-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@H](O)c1cc(C(F)(F)F)ccc1Br 2236335369 VIQSICCYJLMSNB-RBUKOAKNSA-N 444.291 4.862 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@@H]1C#N 2243924199 CRUJWMVKRYRFIB-YWWLGCSWSA-N 445.563 4.748 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2247779362 RTBNVFOVHKQUFQ-UHFFFAOYSA-N 427.781 4.938 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(CCC)n2)CCN(C(=O)OC(C)(C)C)C1 2287690727 NGUPZWWYNVITBV-HXUWFJFHSA-N 440.382 4.774 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 2305320768 XOVVZKDQMJNKTP-CJFMBICVSA-N 428.573 4.603 30 10 IJEE Cc1csc(N=C2SC(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N2C)n1 2314542991 SGDWKNIMRUKPMB-UHFFFAOYSA-N 426.479 4.854 30 10 IJEE SC[C@@H](COCc1cc(I)ccc1Br)CC1CC1 2319153225 CEEJCLPPAFMGLP-LLVKDONJSA-N 441.172 4.916 30 10 IJEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc2c(c1)CCCC2 2322328748 VZFJSHSYCDFZDR-UHFFFAOYSA-N 429.310 4.776 30 10 IJEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)Nc1nccs1 2322437144 UXLHMYPWISPALW-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2323763019 CLAIHZRTGDAXRW-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1ccc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1Br 2323842740 LQTGGXUDWDEMSB-UHFFFAOYSA-N 445.342 4.986 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2324290188 GOJFVQHDBPZJNC-UHFFFAOYSA-N 431.282 4.787 30 10 IJEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccccc3OC)ccc2C1=O 2324471024 IROOAMQBENVKOJ-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)cc(C)c2C1=O 2325019815 UJPXKEQSPGYYQC-GOSISDBHSA-N 443.499 4.876 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC)cc1OC 2325610611 BWMUOQDCBGAGAV-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE O=C(C=Cc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1 2325614077 FVHYAGHBQIGGNF-UHFFFAOYSA-N 427.241 4.665 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1O 2326619553 GYFPEQLZKUNBJD-UHFFFAOYSA-N 431.359 4.873 30 10 IJEE CCOc1cc(C=Nn2cnnc2SCc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C 2326809640 DPYSVMDTIRVHHH-UHFFFAOYSA-N 441.513 4.547 30 10 IJEE CCn1c(C)c(C=Nn2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)c2ccccc21 2326811146 GZEAJEVOYUHMNU-UHFFFAOYSA-N 434.525 4.952 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1 2330700637 SDPICKLKSZUGOJ-UHFFFAOYSA-N 441.560 4.544 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(OC)c2)c1 2330799826 HTRDGGDUZMGDSY-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)cc([N+](=O)[O-])c1OC(=O)CC 2331005041 DZTACGRHPYTTSC-UHFFFAOYSA-N 448.269 4.968 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccs2)cc1 2331046408 RQBJJGSPZLVUGA-UHFFFAOYSA-N 425.583 4.919 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2C(C)(C)C)cc(OC)c1OC 2331397185 REWDZAAJOOYKTJ-UHFFFAOYSA-N 440.569 4.776 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)c1 2331452170 OAWRJOFGTRKYDU-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)cc1OC 2331540028 VFHFHKMQKOIIRO-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CCOC[C@@H]3OCc3ccccc3)nc2)OC1(C)C 2339601177 VLJMVLGSQLNUNM-FQVYWMSDSA-N 436.361 4.512 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](CCc1ccc(OC)cc1Br)NCCC 2364873698 KGEMTODVGDRYRE-RTBURBONSA-N 441.410 4.838 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 9166866 LRDXVQVBWDAQGM-UHFFFAOYSA-N 436.533 4.578 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccccc2C)NCCc2ccc(F)cc2)n1 14156048 OVDSGBTUZBDZOO-UHFFFAOYSA-N 436.560 4.538 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C 14667841 MOANROAQDUDPTJ-UHFFFAOYSA-N 445.357 4.680 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2/C=C\c2ccccc2)s1 35568114 CSMSNVNOYOUCHK-DZFTYQQFSA-N 444.556 4.922 30 10 IJEE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)cc1 40823827 UGKFLOOOJYSEGP-ZXVVBBHZSA-N 436.439 4.885 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1ccc(C)cc1 59021056 MSEDMUAGJKOHNV-MSXFZWOLSA-N 449.367 4.987 30 10 IJEE Cn1c(/N=C(\O)[C@@H]2CCN(c3ccccc3Br)C2=O)nc2cc(Cl)ccc21 63982436 YWYSDFQUFMFAJW-LBPRGKRZSA-N 447.720 4.630 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N[C@](C)(C#N)C(C)C)cc1OC 84409589 LMWUMRDOGAEDCQ-FXXWNWNUSA-N 444.535 4.624 30 10 IJEE CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)cc3)S2)cc1 100184426 CAVKRYXZZAJZFW-YQMDHOPXSA-N 431.945 4.719 30 10 IJEE COc1ccc(/C=C\C(=O)c2nn(C)cc2Cl)cc1COc1ccc([N+](=O)[O-])c(C)c1 101596008 OLFWPZWIDBRXBM-YWEYNIOJSA-N 441.871 4.774 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccccc1 102501862 JOXUUAMGHIRBOM-GOBJLOIFSA-N 433.847 4.665 30 10 IJEE C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccccc3)ccc2O1 102517628 UBIABAWBMUVICY-LIZUAHCZSA-N 425.484 4.632 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C\c2cc(OC)ccc2OC)C1=O 103197019 VZWJFWLKZUTRGD-WQRHYEAKSA-N 445.924 4.901 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccncc2)c1 170024455 QZVZPJJHMKPKLT-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170059165 YEBXUVOYTUUCKK-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C)o2)cc1 170101455 BCUACUXVFAQXBC-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2OC)c1 170123329 SLTGCAANMYWQPZ-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c(OC)c1 170159544 SMKBQEDUVCTNMO-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccccn2)cc1 170176634 KUHNPEQYPANCKF-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE CCOc1ccc(N2CC(=O)C(c3nc(-c4ccc(C)c(C)c4)cs3)=C2N)cc1OCC 170180250 PVCMMHYKBCOVIG-UHFFFAOYSA-N 449.576 4.941 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1 170188958 UEVBOHHQHUHCSA-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)c1 170209422 SLRDXYRUNDIPKF-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170230234 KIMRTPULLQCEHQ-LAUBAEHRSA-N 437.879 4.844 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 170250257 RBRINFPIXGNFIU-AUSIDOKSSA-N 431.463 4.736 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccco2)cc1C(C)C 170280554 CCMAOIWLXVQDDA-JOCHJYFZSA-N 441.524 4.805 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2c2ccccc2O)o1 170300970 UAMXVCWLMLQBGY-QFIPXVFZSA-N 433.460 4.864 30 10 IJEE Cc1cc(C)cc(NC(=O)c2c(N)n(N=Cc3cccs3)c3nc4ccccc4nc23)c1 254485208 JSWZIUHMAIVJOR-UHFFFAOYSA-N 440.532 4.980 30 10 IJEE C=CCCc1ccccc1NC(=O)COc1c(Br)cc(C#N)cc1OCC 410351045 CTWIFBHJYKVFFU-UHFFFAOYSA-N 429.314 4.856 30 10 IJEE Cn1cc([C@@H](NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)C(F)(F)F)cn1 446185363 VUUHFOGXEQRBMZ-VXGBXAGGSA-N 448.289 4.645 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 460545375 RBAVVRVIIPKFMA-UHFFFAOYSA-N 435.959 4.527 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1ccc(NC(=O)CSc3cccs3)cc1)CCCC2 484146335 NORGKIQPJUARFZ-UHFFFAOYSA-N 448.573 4.877 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508938372 JERMEWDXAQYXPY-UHFFFAOYSA-N 449.942 4.713 30 10 IJEE CCOc1ccc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc1[N+](=O)[O-] 526819981 GTUPLZIZUMGYPR-CFRMEGHHSA-N 433.493 4.913 30 10 IJEE C=CCN(C(=O)c1cnc(-c2ccc(C)cc2C)s1)c1nc(C(=O)OCC)cs1 604533813 IWRTWHVOKLQYMW-UHFFFAOYSA-N 427.551 4.893 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc(C(=O)OCC)cs1 610153076 LHZGEXGFMHGFAK-ZIAGYGMSSA-N 440.443 4.541 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)c1nc(C(=O)OCC)cs1 610225596 PHVZDFGCOVFEAL-GJZGRUSLSA-N 425.337 4.949 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCCC[C@H]3c3ccc(F)cc3)cn2)c1 615360073 RDEPFSGUIVEITK-QFIPXVFZSA-N 444.466 4.577 30 10 IJEE O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCOc2cccc(F)c2C1 670108164 CJESTJNJGMPCOM-GHMZBOCLSA-N 428.348 4.639 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698871277 UDBHNRFAGUJTGX-DEOSSOPVSA-N 439.487 4.872 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 743747019 AOQWXUSFDCQXCY-HSZRJFAPSA-N 435.568 4.821 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2Br)n1C 751314807 XXHDZZIOQJVGJS-UHFFFAOYSA-N 438.325 4.623 30 10 IJEE C#CCNC(=O)c1cccc(-c2noc(-c3sc4nc(C(F)(F)F)ccc4c3C)n2)c1 761797549 JTCYMJLHFSHCJW-UHFFFAOYSA-N 442.422 4.704 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(Cl)c2OCCOC)CCCN1C(=O)OC(C)(C)C 792527913 CBVBQNZVIPDTMI-JOCHJYFZSA-N 438.952 4.650 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccc(Cl)cc1 810472262 HMUOLTVJGBWAST-LJQANCHMSA-N 447.853 4.717 30 10 IJEE Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)c1 917612730 DJQCRCNVEZDZRZ-UHFFFAOYSA-O 431.497 4.694 30 10 IJEE CCCCCCCN1C(=O)C[C@H](C(=O)NC)SC1=Nc1cccc(C(F)(F)F)c1 1084101414 GJKIXSZESCUQFL-MRXNPFEDSA-N 429.508 4.743 30 10 IJEE C#CCO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2 1124211220 LPOXGIXBSBWNRB-ZDUSSCGKSA-N 446.366 4.597 30 10 IJEE C#CCN(C(=O)Cc1c(C)cccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1126151362 OORAAMAZHDCTMH-IBGZPJMESA-N 432.745 4.939 30 10 IJEE C#CCN(C(=O)c1ccc(Br)cc1)[C@H]1CCOc2ccc(Br)cc21 1126229945 UFCYTOLCNNOCDC-KRWDZBQOSA-N 449.142 4.811 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@@H](OC)C2(CC)CC)nnc1-c1ccc(Cl)cc1 1127454841 UEIBDBBLCFMOMY-ZWKOTPCHSA-N 449.020 4.587 30 10 IJEE Cc1cc(C)cc(-n2nc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2C)c1 1127590813 HTTSFKIBRFKEDI-UHFFFAOYSA-N 431.515 4.663 30 10 IJEE C#C[C@@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Br)cc1 1129608420 FCRWQIICZGVYGS-OAHLLOKOSA-N 443.322 4.769 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1ccccc1 1130119069 KUHKWULISZAPHF-RBUKOAKNSA-N 432.442 4.762 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 1137809135 TXDCSYGHOGAELP-WMZOPIPTSA-N 436.984 4.743 30 10 IJEE COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 1147517853 HVHMODJQODAMBR-CVDCTZTESA-N 437.971 4.670 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1c(O)cnc2c(Br)cccc12 1154371637 BFDSSDOUGORCBS-UHFFFAOYSA-N 427.298 4.853 30 10 IJEE CCCCN(CC)c1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 1156560616 HHBRYVKGCDPUQD-XMMPIXPASA-N 439.003 4.989 30 10 IJEE C=CCn1c(SCC[S@@](=O)C(F)(F)F)nc2scc(-c3ccccc3)c2c1=O 1164600039 VBVKZTSMQNVDDO-MUUNZHRXSA-N 444.525 4.672 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(OC)c3cccnc23)c1 1186450277 RNFZXZUVNVGIFW-UHFFFAOYSA-N 434.542 4.682 30 10 IJEE C=CCn1c(SCCc2ccc3c(c2)OC(F)(F)O3)nc2cc(Cl)ccc2c1=O 1187994221 IQRAAFVXPOXLFC-UHFFFAOYSA-N 436.867 4.892 30 10 IJEE C=CCn1c(SC[C@H]2CN(CC)C(=O)O2)nc2sc(-c3ccccc3)c(C)c2c1=O 1188538745 HCEAJNZDGBRSRZ-MRXNPFEDSA-N 441.578 4.552 30 10 IJEE CC(C)[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(Cl)cc1 1190051993 CVBGYXOYMYWWKY-INIZCTEOSA-N 441.778 4.692 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1209834109 IQCOBQZSGGLJHT-MOPGFXCFSA-N 444.329 4.557 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CCC(=O)OC)CC2CCCCC2)cc1C#N 1216074949 AJODECCYFYYNCD-SFHVURJKSA-N 444.532 4.540 30 10 IJEE C=CCN(C(=O)[C@H]1CCCS1(=O)=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1264229360 BBUURQTZOPSYQN-OAQYLSRUSA-N 438.574 4.573 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C1CCCCC1)N(C)C 1286365689 HAAHVNIFKMNLES-OAQYLSRUSA-N 439.673 4.855 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)Cc1cccs1 1286404599 WKSLTTJGIIXHST-LJQANCHMSA-N 425.561 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCOC1CCCC1 1286518136 BPAREKCOSKKBQG-UQBPGWFLSA-N 440.563 4.899 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC(C)(C)C)CC1 1286614203 OBOQLVJUJZPWDZ-NHCUHLMSSA-N 448.652 4.573 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1286640150 GRWXQTTVTVYORW-AZUAARDMSA-N 429.996 4.991 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)c2nccs2)CC1 1286649519 PHHNHQFQROHKCE-INIZCTEOSA-N 429.977 4.927 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1286677901 LZCAKJTVIDCEGP-FYYLOGMGSA-N 430.600 4.873 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)CC[C@@H]1C)c1ccccc1 1286681873 VWMPJTWUCUXEAE-VMYYHUPOSA-N 438.616 4.987 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1(COC)CCC1 1286748412 XNQUCERUZXBPEQ-UHFFFAOYSA-N 433.581 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCOc1ccc(Cl)cn1 1286748909 FRXZPSIZUQSYKB-UHFFFAOYSA-N 429.977 4.927 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)OC(C)(C)C1)C(C)C 1286750430 AJXRNHJCJUSGCD-GGAORHGYSA-N 437.632 4.647 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1286777853 LOFVRCPAEUSWAA-WOJBJXKFSA-N 441.645 4.586 30 10 IJEE Cc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 1290934498 HIFOZDXBXRYNKP-UHFFFAOYSA-N 444.461 4.639 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1300373329 WJYDQHFYTNAIEH-JOCHJYFZSA-N 449.643 4.534 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCC(F)(F)C1 1300511009 CQCJOBPEADENMS-QGZVFWFLSA-N 448.464 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ncccc2N(C)C)CC1 1301072168 FBKONWBPQMZINJ-UHFFFAOYSA-N 430.600 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301154335 PMSLXJWVMJKRKY-SANMLTNESA-N 438.616 4.554 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCC(=O)NC 1301176359 XPSCURVNMTWLJO-UHFFFAOYSA-N 431.993 4.742 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccccn1 1301208738 BYGXGALCJHAESD-UHFFFAOYSA-N 430.325 4.844 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1CCN(CCC)CC1 1301278240 ITYUDVMSXJRWMA-UHFFFAOYSA-N 438.439 4.513 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1301331548 OQLYVOMFUJVSTM-OAQYLSRUSA-N 444.023 4.786 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1301362286 CEMBTCNFRUSGJA-FQEVSTJZSA-N 449.624 4.784 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1306900494 QPWNECNKEBQHIA-KRWDZBQOSA-N 448.972 4.720 30 10 IJEE Cc1cc(NC(=O)NC2(Cc3ccccc3Br)CC2)c(C#N)cc1N(C)C 1310837675 CRXXLWSQANXOJK-UHFFFAOYSA-N 427.346 4.592 30 10 IJEE C#CCN(C(=O)NCCCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCCc2ccccc21 1312482998 FUIIZTOMLPALBT-JOCHJYFZSA-N 432.499 4.531 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 1313001699 LVPVDUNPEIVUDN-OFNKIYASSA-N 441.597 4.764 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1csc(C#N)c1)c1ccc2c(c1)OCCO2 1348530439 VXHQPKLMUFZSRA-UHFFFAOYSA-N 432.501 4.803 30 10 IJEE C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)n1nnc(-c2ccccc2)n1 1351170459 FEDYUEWIWQLGNY-OAHLLOKOSA-N 444.882 4.857 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 1353602238 FJUSUXZHBQCIMJ-QHCPKHFHSA-N 442.987 4.965 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(CCNC(=O)CC3(C#N)CCCCC3)cc2)cc1 1356111068 DRFRMBNDKCBJJZ-UHFFFAOYSA-N 433.552 4.535 30 10 IJEE C#CCCCCn1c(N2CCC(c3ccsc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358917408 PWVCQRZDLICYKC-XMMPIXPASA-N 442.629 4.568 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCCC1CCCC1 1358987521 JXLIEBUGTJBPOR-UHFFFAOYSA-N 426.511 4.980 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCSCC(C)C 1359016763 LOLIXYZGZNTVMJ-UHFFFAOYSA-N 437.588 4.817 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC(Nc2ccccc2Cl)CC1 1359048965 FIBUTJOUUPPFEQ-QGZVFWFLSA-N 432.037 4.892 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCCC(F)(F)F 1359067499 PTPORDJNRGOUFL-OAQYLSRUSA-N 436.478 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC2CC2)nc1 1359109830 QDPQUUBQTIZERF-UHFFFAOYSA-N 438.963 4.628 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1359161204 UHJOGLNYOCGCSV-WMZOPIPTSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCN(CCC)C2)CC1 1359181470 TWMHNOMCLGGYSE-QHCPKHFHSA-N 437.632 4.608 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nccn2C(F)F)CC1 1359181608 ZENWWWUXKBZSCL-UHFFFAOYSA-N 442.514 4.516 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](CCOC)C1 1359198572 URGTWHYTZFBIGA-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCC(=C)C 1359234137 FOFFRKRNGIBFIE-UHFFFAOYSA-N 425.758 4.576 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS1 1359264929 STTXVHAHMAQURG-GOSISDBHSA-N 431.656 4.784 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1359274781 ZGUQZDJHVRZMCI-OAQYLSRUSA-N 435.503 4.683 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)c(Br)c2)n1CC=C 1359276774 PBNGTZZXJRKZJH-UHFFFAOYSA-N 443.345 4.730 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(C)nc1-c1cc(F)ccc1F 1436641089 AGIRVSYJWFSHGM-UHFFFAOYSA-N 448.267 4.945 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1ncc(-c2ccccc2)[nH]1 1442315602 WMTBNLJHDJFEIU-IRXDYDNUSA-N 432.952 4.680 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1ncc(-c2ccccc2)[nH]1 1442316452 YYCSZFUFYUSGDR-OALUTQOASA-N 426.561 4.894 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNc1ccc(C#N)c(Br)c1F 1458592658 UPUCSPDEEJIXRM-TZMCWYRMSA-N 426.330 4.765 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O 1458794184 FQIHOFLKANJXGZ-CXJVOSNZSA-N 445.588 4.944 30 10 IJEE C=CC[C@]1(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1464330783 BNTUZWBOAVBGBF-HSZRJFAPSA-N 449.979 4.521 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1n1cccn1 1465590963 DARBTMBTIJVGGW-YTFSRNRJSA-N 445.523 4.866 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1n1cccn1 1465590965 DARBTMBTIJVGGW-ZRBLBEILSA-N 445.523 4.866 30 10 IJEE C=CCC[C@H](CO)NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 1465969955 FPPPAIDIJDKRAT-LJQANCHMSA-N 441.597 4.798 30 10 IJEE N#Cc1nc(NC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)ccc1Br 1467117571 CHOYHOILLPJQBN-QGZVFWFLSA-N 449.736 4.659 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 1473137522 QOYJFWGQYGWYDN-IBGZPJMESA-N 433.552 4.975 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)cc1OC 1474402880 PFHNBZCNPPLKRN-UHFFFAOYSA-N 442.774 4.937 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCOc3c(OC)cccc32)cc1 1476042020 WGVIUFVXQGQJBS-NRFANRHFSA-N 435.524 4.545 30 10 IJEE CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 1476056445 CQXYSXVKTMLETQ-HSZRJFAPSA-N 441.535 4.874 30 10 IJEE COc1ccc(NC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1C#N 1476995244 AYOQIBHZDXUHRA-UHFFFAOYSA-N 429.480 4.841 30 10 IJEE C=CCC[C@H](NC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1477409139 MCRLSFMYDVGLPI-QKLQHJQFSA-N 441.538 4.900 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 1478482182 HIHLAKWVCXHGFK-SFHLNBCPSA-N 442.485 4.765 30 10 IJEE CCCCn1cc(Cn2c(-c3ccccc3Cl)nnc2N2CCC(C#N)CC2)c(C)n1 1500518245 DTNVVOLNHGVUQZ-UHFFFAOYSA-N 437.979 4.692 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CC)CCC1 1507522630 XBSFQLVIRGKVGY-OAHLLOKOSA-N 431.378 4.754 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1507595865 YFHHNIUTWNGGID-APWZRJJASA-N 449.382 4.583 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCCN1CCCC[C@@H]1C 1507667738 VQXQHSRSHKEVLP-NRFANRHFSA-N 438.019 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1csc(C)c1 1507682399 OWIVVNAWNQKKIR-UHFFFAOYSA-N 432.549 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](C)C1 1507810630 LQDDDKAEIYLZMA-MSYCTHLASA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C)CC1 1507840861 USZXACQWHXEGPT-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1sc(C)nc1C 1507929234 OSTJWXRVOZNOCO-UHFFFAOYSA-N 439.585 4.978 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1507944751 XIOYLSSLKPOEQL-IBGZPJMESA-N 440.979 4.920 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@@H]1COc2ccccc2O1 1508008281 MLPYDWJCOWZRQB-GOSISDBHSA-N 438.597 4.961 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc3cncc(Br)c3n2)cc1 1517879048 MNYTULWXXRKXLG-UHFFFAOYSA-N 440.297 4.654 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CCCN1C(=O)OC(C)(C)C 1518784432 MLAXZSJGGXEMRI-RDPSFJRHSA-N 430.545 4.529 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1c2ccccc2C(=O)OC1(C)C 1520236168 IIKSMYOCEBKIRU-IBGZPJMESA-N 446.316 4.836 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)cc1 1520746410 ZPTQANGIGVVHHB-UHFFFAOYSA-N 431.439 4.808 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)OCc2cc(Br)cc(C#N)c2)cc1OC 1524919098 QRKRGOGYVIDKGV-ALCCZGGFSA-N 428.282 4.651 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 1527380109 HGMSSKQMDMTYQE-UHFFFAOYSA-N 445.906 4.952 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1sccc1-n1ccnn1 1529760795 CXSPEBSDQLYRKR-UHFFFAOYSA-N 438.328 4.871 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(OCc4ccc(C)cc4)c3)cc2C1=O 1531583523 LCMVDXDDPFWQOK-UHFFFAOYSA-N 426.472 4.608 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 1534131834 CLWNMVNMJIUUDP-INIZCTEOSA-N 434.367 4.606 30 10 IJEE C=CCC1(C(=O)N2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCCC1 1534657433 BJVXZQAIYDANNN-OAQYLSRUSA-N 434.621 4.778 30 10 IJEE C#CCOc1ccc(NC(=O)Cc2csc(-c3sccc3Br)n2)cc1 1537949977 PGQQMJNONDXDBT-UHFFFAOYSA-N 433.352 4.827 30 10 IJEE C#CCN(C(=O)c1c(F)cccc1I)[C@@H]1CCCc2ccccc21 1538599663 LFFHDGBMRFQWSS-GOSISDBHSA-N 433.264 4.583 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(C)C 1538974262 SACDAJNKUSDDCA-RTBURBONSA-N 432.996 4.961 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H]1CCO[C@H](C)C1 1539154631 QRPBQYIGRGNQEY-IFMALSPDSA-N 431.584 4.627 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1C1CCC1 1539504873 BXLZHJMSDYVAMD-IBGZPJMESA-N 445.430 4.843 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](C)C1 1539526984 RMMWUHOKTWOLLQ-GASCZTMLSA-N 439.412 4.623 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccccn1 1539638266 YPJMSDNUYHTSDG-AUSIDOKSSA-N 437.975 4.535 30 10 IJEE C=CC1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCN(C)CC(F)(F)F)CC1 1539884435 JTLVOUADPKJROL-UHFFFAOYSA-N 446.521 4.713 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CC(F)(F)C1 1539945520 PASAHZWMUADYSM-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1539947308 KIJNPDIJOXFPRQ-QGZVFWFLSA-N 430.984 4.661 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1540108711 LKSBOTHMZGHJTE-CJAUYULYSA-N 443.586 4.812 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC(C)CC1 1540141587 ATXAPYYCNNUZKL-HXUWFJFHSA-N 436.629 4.715 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@H](C)C1 1540180794 VFZQFYIKUMYLPE-IFMALSPDSA-N 436.625 4.981 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1540664183 XFDNQIQZOUIBMO-UHFFFAOYSA-N 444.553 4.825 30 10 IJEE C=CCC(CC=C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1540716031 NGWKEWMILLCGDR-GZTJUZNOSA-N 439.364 4.914 30 10 IJEE Cc1n[nH]cc1CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1542053497 DYZFNQAMUMEFFT-HZPDHXFCSA-N 437.617 4.534 30 10 IJEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2[C@H]2C[C@H](c3ccccc3Cl)C2)n1 1543006139 GWGOYLJQBCVTAM-BHIYHBOVSA-N 437.979 4.650 30 10 IJEE N#CCn1c(C(=O)Nc2c(F)cccc2C(=O)OCc2ccccc2)cc2ccccc21 1543473619 HFOVVUJVPZKAJT-UHFFFAOYSA-N 427.435 4.913 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Cl)s1)[C@H]1CCSC1 1552911088 DSCDWOKWNFEOHO-INIZCTEOSA-N 430.002 4.716 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 1559845772 AFJILVZXHRPGGM-YSZBQJHXSA-N 437.609 4.993 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1564441880 YIKQYUNWBHAGDH-UYAOXDASSA-N 440.437 4.591 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccc(F)cc1Cl 1565747885 LWPLKDOXJVCPKR-INIZCTEOSA-N 433.351 4.909 30 10 IJEE CCOC(=O)[C@@](C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 1567647753 GALQMVVUODPLGV-SANMLTNESA-N 444.556 4.960 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C(C)(C)C 1569919252 CTNHBWQJRBHJCA-SFHVURJKSA-N 439.364 4.572 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)cc(Br)c1F)c1ccc(Br)cc1 1583566042 PVQSFZXGEODDCP-OAHLLOKOSA-N 425.095 4.763 30 10 IJEE Cc1[nH]c(C#N)cc1C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 1585481474 DNOVYLBIVXKNGN-HSZRJFAPSA-N 433.556 4.524 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc1OC 1586130092 OJYONWCFCAWGAQ-IKSYPMEUSA-N 443.584 4.782 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCC[C@H]1CCCCO1 1588550371 OXUSQIOZVAVCOT-PKTZIBPZSA-N 440.563 4.648 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1ncc(CC)s1 1589242922 PDRWZPKSOHNUAI-XMMPIXPASA-N 435.597 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSCC1 1589493127 GEHDCLLGSDEODP-UWVAXJGDSA-N 449.020 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)C[C@@H]1CC 1589516026 VPAQSZWGSFMPHZ-GBPOLFSSSA-N 440.588 4.568 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)(C)C)C1 1593629798 AAKPNFDXFPQJFL-MOPGFXCFSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1594510798 AHWAGZSCHRCJDJ-PMACEKPBSA-N 443.661 4.879 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1594529507 VBERFYNZGYEPDI-NRFANRHFSA-N 441.595 4.663 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Cc1ccc(OC)cc1 1595009229 BSKICROEKYBYNS-VLCRHTCISA-N 426.605 4.706 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCC1)C1CC1 1595021431 ZXCJHYUGKUXVKZ-QGZVFWFLSA-N 430.980 4.758 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C)C1CC1 1595055002 WVJWDCGIUYNUDE-MSOLQXFVSA-N 429.609 4.594 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H](C)c1nccs1 1595075316 CMRUSVMGSPEJOR-SFHVURJKSA-N 446.580 4.802 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H](O)C1 1595134273 YDLVAUSROFYCMJ-GHTZIAJQSA-N 440.588 4.813 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@H]2COC(C)(C)C)nnc1-c1ccc(Cl)cc1 1595209090 FBLAKJYZNJBYOF-GOSISDBHSA-N 449.020 4.683 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1595223466 VFZIZKXRVRWAFA-UHFFFAOYSA-N 425.577 4.989 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](CC)OC)C1 1595681410 QPDDHLUILFFACF-XZOQPEGZSA-N 449.599 4.559 30 10 IJEE C=CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1611250905 DSBXPGGLVQNKEV-UHFFFAOYSA-N 427.353 4.799 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c(Br)cccc21 1611454009 XKZMDYFZWCKMLF-MSOLQXFVSA-N 437.378 4.802 30 10 IJEE C#CC[C@]1(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)CCCN1C(=O)OC(C)(C)C 1621088344 UJHMJNUQGLLNJA-AREMUKBSSA-N 434.536 4.624 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc1 1622101799 SUTJFXPTCOQYSJ-JPYJTQIMSA-N 436.618 4.557 30 10 IJEE COc1cccc([C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)OC)c1 1622896370 CSNSWQOZIADQHA-VWLOTQADSA-N 445.519 4.849 30 10 IJEE C#CCN(CC(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1)C(=O)OC(C)(C)C 1629071957 CHGULFDEFBCZSI-UHFFFAOYSA-N 433.961 4.505 30 10 IJEE C=CCC[C@@H](NC(=O)NCCn1c(O)nc2ccccc21)c1ccc(C(F)(F)F)cc1 1632773700 FEVPJCKZHPGEOA-QGZVFWFLSA-N 432.446 4.767 30 10 IJEE CCc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1634187759 GDCFMKWYIOZFQI-VXKWHMMOSA-N 434.540 4.536 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccc(F)c(F)c1 1634453022 FXGMRDIVASPYPR-AZUAARDMSA-N 448.311 4.994 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 1636893194 YVNKZRILJKDDHX-NRSPTQNISA-N 428.577 4.520 30 10 IJEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)C(C)(C)C 1636944098 NWMOQXOFXUHWBA-QFIPXVFZSA-N 426.582 4.608 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 1637383735 GENCVSFRFJUAIW-LJQANCHMSA-N 435.528 4.813 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1 1639478470 LRDQTMYWKBEYKK-BZSNNMDCSA-N 447.000 4.838 30 10 IJEE C#CCN(c1cnc2cc(F)c(F)cc2n1)[C@@H]1CCOc2ccc(Br)cc21 1642275307 RJBAGLWHGSOTPH-GOSISDBHSA-N 430.252 4.634 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1C 1645003749 DMHYGBLMBIFSEE-FQEVSTJZSA-N 425.401 4.722 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(CC(=O)N3CCSCC3)cc2)cc1OC 1650717543 PMIKSRNGIAKAHG-UHFFFAOYSA-N 447.000 4.643 30 10 IJEE C=C(C)CNc1cc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc(Oc2ccccc2)n1 1650988892 IRNWFXMWFQPUDE-SFHVURJKSA-N 439.560 4.750 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cncc(OC(C)C)c1)c1ccc(C(F)(F)F)cc1 1654702879 RXDYZRKOMXQQCQ-LJQANCHMSA-N 428.476 4.873 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1cc(F)c(Br)cc1F 1659604366 LSYFWJLFWKJUJU-SNVBAGLBSA-N 427.220 4.761 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 1665968797 GXGGJZWMZSJAOH-YLJYHZDGSA-N 447.988 4.604 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1667957391 KJRNHKAFDQNHTQ-QGZVFWFLSA-N 426.365 4.954 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1670933102 RJGGSYLBYFGLAU-SFHVURJKSA-N 436.365 4.607 30 10 IJEE CC(C)CNC(=O)C1(NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCCC1 1671437564 ACZVSDCWRUYZPE-UHFFFAOYSA-N 436.581 4.916 30 10 IJEE CC(C)C[C@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)N[C@H](C)c1ccccc1 1673983442 DQIRYRMZGDPLEF-NVXWUHKLSA-N 444.377 4.603 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)cc1 1674045186 HAPDCEPCWLPZLY-UHFFFAOYSA-N 444.491 4.878 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NCc1cccc(Br)c1Cl)C(C)C 1674145650 NOBAGSYLEFYOCF-KRWDZBQOSA-N 428.802 4.600 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4Br)C3)cc2n1 1674576570 MGQGPLRMVISPCO-HXUWFJFHSA-N 441.329 4.590 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1679874189 ITTNLIIVDNIJDP-IBGZPJMESA-N 437.506 4.584 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21)c1ccc(F)c(F)c1 1681552255 MVWGELSNPFUDCG-XMSQKQJNSA-N 428.479 4.788 30 10 IJEE C#CCN(C)CCCNC(=O)N1C[C@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C 1682963490 HUAJUDFMKLZXOV-GHTZIAJQSA-N 448.998 4.995 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccccc2Oc2cccc(Cl)c2)C1 1684082382 AMRZGVJKGOCUGG-ICSRJNTNSA-N 425.960 4.932 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1686677146 CNWVUJOEUXVBTF-ZWOKBUDYSA-N 433.980 4.645 30 10 IJEE C#CCN(C(=O)NCC(C)(C)CC(F)F)[C@@H]1CCOc2ccc(Br)cc21 1687463399 WZRGYMAZPWYXHN-OAHLLOKOSA-N 429.305 4.599 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1689855425 VWBOOBHRVFUMST-SOUVJXGZSA-N 426.433 4.899 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCSC1(C)C 1690044003 VTVHWGSOFHPZGO-HXUWFJFHSA-N 445.592 4.595 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)nnc1C(C)(C)C 1690440007 VFZLSELVYAWVHD-LJQANCHMSA-N 442.583 4.717 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1690447568 RSOCIWCEJMRFEH-NRFANRHFSA-N 437.632 4.677 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1690484689 BHHUUAUAXLDLSY-UHFFFAOYSA-N 444.023 4.839 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690519340 GPBANSWUHICBMB-ZDUSSCGKSA-N 431.968 4.989 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1csc(C(C)C)n1 1690533423 HYBONYRINWANHB-UHFFFAOYSA-N 425.602 4.919 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CCc1ccc(F)c(F)c1F 1690609715 XVJHUCQHWANMKC-LJQANCHMSA-N 446.473 4.618 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690652700 XYWRCXZWLNFQGN-QGZVFWFLSA-N 432.037 4.720 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)cc1 1690679842 AXUMESBRDFSPIB-OFNKIYASSA-N 431.584 4.892 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C2CC2)cs1 1690997115 DLOBYOFTXCVXFK-LBPRGKRZSA-N 430.940 4.716 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CSCCS2)C1 1692850868 BMTTUOABQPKUER-RXVVDRJESA-N 448.061 4.501 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC(C)(C)O1 1693772995 HAWNMKWLFQHFBI-CQSZACIVSA-N 427.961 4.584 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1694080150 CMGZZYCPRJCEAD-BCHFMIIMSA-N 445.615 4.832 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2ccco2)cc1 1696140015 GJYULRLEEQCJHW-GOSISDBHSA-N 435.528 4.588 30 10 IJEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1697719088 BNHTXGNVUJLLDQ-UHFFFAOYSA-N 427.618 4.601 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCc1ccnc(C(C)(C)C)n1 1705479561 JVFJNJWPMPNFLA-QGZVFWFLSA-N 436.991 4.777 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1oc(CC)nc1C 1705605464 LRTMTBUOBRQOCO-UHFFFAOYSA-N 446.580 4.744 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1ccnc(OC2CCCC2)c1 1705619187 JUIUZKAQWANBCZ-UHFFFAOYSA-N 447.558 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1705706880 AGGTVVYAFLRJHQ-MSOLQXFVSA-N 439.604 4.532 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1705721435 ZKAYHRAHBKTOCB-FXAWDEMLSA-N 439.947 4.700 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2csc(C)n2)CC1 1705765329 HAACGDYSQHWAKI-UHFFFAOYSA-N 429.977 4.771 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 1705784886 NFAAQFRXCOODQF-UHFFFAOYSA-N 447.583 4.798 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1705797432 WGTNDOGTMNJKOS-LADGPHEKSA-N 445.611 4.877 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCCC2=O)CC1 1705807531 GOHISYWOVKYLDS-UHFFFAOYSA-N 435.616 4.515 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705812105 QZGIPNFGBHZMPR-ZEQRLZLVSA-N 448.615 4.505 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CC)C1 1705817050 BHLVKIQXCXJAJT-WOJBJXKFSA-N 431.625 4.985 30 10 IJEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)c1cccs1)N1CCCC1 1708780876 HXQNVWTYPJQUIH-WIYYLYMNSA-N 434.613 4.950 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCC[C@@H]1C 1722404751 CYQRKVRERVDYKL-JXQFQVJHSA-N 445.007 4.699 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722408893 WWMMITKCIKLGCJ-OYRHEFFESA-N 444.627 4.709 30 10 IJEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1722425903 PPAFSRHUZVDESO-MXVIHJGJSA-N 426.992 4.869 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1722452519 QBWVTGLMZSTYCN-VWLOTQADSA-N 449.624 4.564 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CCSC 1722492327 AYOPRTOUBLCVEV-ARFHVFGLSA-N 445.471 4.683 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(CN2CCCC2)cc1 1722514305 BZPCVCJTUKXLDN-UHFFFAOYSA-N 435.641 4.977 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722600221 MDSYMRBDIOUAGP-RTBURBONSA-N 445.405 4.927 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCC(F)(F)C1 1722652470 GUXOCKBFQKZATM-IBGZPJMESA-N 439.510 4.977 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1Cc1cnc(C)s1 1722660018 JZAJUYWTHSUCDF-UHFFFAOYSA-N 434.544 4.793 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1Cc1c(C)coc1C 1722660696 CWHOZVARECLAOP-UHFFFAOYSA-N 448.546 4.730 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1c(C)noc1C 1722675799 SAAKGIBURYQOBF-QGZVFWFLSA-N 432.528 4.577 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](COC)C1 1722707786 ZAYPWDFTZLQKPG-NRFANRHFSA-N 447.583 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](OC)C(C)C 1740647555 VQRBRJAVFSLYMU-SFHVURJKSA-N 441.000 4.947 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1cnn(C)c1 1740727826 BJUZHFAZUGPEGX-JOCHJYFZSA-N 443.382 4.610 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1cc(Br)cs1 1740780536 YHUXUCZASIXGTD-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCCN2CCCC)CC1 1740826974 DPZGGZUIBIXUGG-QHCPKHFHSA-N 437.632 4.689 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(CC)C1)c1ccccc1 1740855155 UGIDTCMKXKTQGB-HFZDXXHNSA-N 444.583 4.912 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740858638 WNZOQVKGUDDMOE-IBGZPJMESA-N 430.618 4.591 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(NC(C)C)CC1 1740860359 AZEWWODRDQNVOS-UHFFFAOYSA-N 432.012 4.930 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740876053 NHUGWHJEEIYYMU-HSALFYBXSA-N 431.625 4.841 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1Cc1ncccc1C 1740937263 WGEZTLATYQBKFP-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCOC(C)(C)C)C1 1740972689 LFGMRFHHTCMFNJ-RTWAWAEBSA-N 442.604 4.631 30 10 IJEE C=CCSCCn1c(N2CCC[C@@](C)(OC)C2)nnc1C1(c2ccccc2)CCC1 1741005511 YEJQYUFSLXCFNB-HSZRJFAPSA-N 426.630 4.673 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](SC)C(C)(C)C)C1 1747258652 HSYBOHDZGLWUDX-CTNGQTDRSA-N 441.645 4.847 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1748710298 LWDCOBSKFVWKDB-CTNGQTDRSA-N 443.636 4.869 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1748740204 OPVYNWLGOLWWIF-FQEVSTJZSA-N 435.597 4.690 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1Cc1nc(C(C)(C)C)cs1 1748858987 OJIGPRBYLOBARS-UHFFFAOYSA-N 449.649 4.754 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1748876384 CXQHEIIFGXVLMS-UHFFFAOYSA-N 442.954 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCn2ccnc21 1749146742 LWDZZNYSNAJEDD-INIZCTEOSA-N 428.943 4.914 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1cc(Br)cs1 1749163983 WCCKLQYRNJKAQK-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1749252542 DFYVRDQQQXASQL-GJZGRUSLSA-N 429.977 4.743 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](COCc2ccccc2)C1 1749358702 OZPJAQCMNYCCDW-QFIPXVFZSA-N 433.600 4.929 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1749395714 NQLOBBPUEKJKDK-UHFFFAOYSA-N 446.599 4.733 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C2CC2)C1 1749448276 XNOWRGFWGDVLTR-GOSISDBHSA-N 431.378 4.537 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)s1 1749456496 GVKNCMHQYFSDNF-UHFFFAOYSA-N 425.396 4.599 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](OCC(C)C)C1 1749690532 SVCYCUWVQHYVDK-NRFANRHFSA-N 426.605 4.731 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC2CCOCC2)C1 1749714069 DZOPSBKRDQVKBT-QFIPXVFZSA-N 445.007 4.510 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCSC(C)(C)C1 1749744363 IHSAGHHLVHVVAP-MRXNPFEDSA-N 436.622 4.808 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCc1c[nH]c2ccccc12 1760214906 HNJUKHQIHDCINP-UHFFFAOYSA-N 442.954 4.571 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCOc1ccc(F)c(Cl)c1 1760297375 QGXLDYSAHVJGBS-HSZRJFAPSA-N 430.955 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCc1cccnc1 1760332322 ZCAOMIBCZUJAJT-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCc2nc(C)cs2)CC1 1760392259 KACYGJXYXFQHIT-UHFFFAOYSA-N 441.576 4.940 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN(C)C(C)C)CC1 1760397143 NGKLQKDZTNHSAX-OAQYLSRUSA-N 425.621 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760408636 DLKABRKMFYYXFA-CTNGQTDRSA-N 435.616 4.560 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1760413714 RFQBPKKVTUPSFJ-UHFFFAOYSA-N 443.611 4.943 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CCOCC2)C1 1760424115 WILOWIRKBGZZQY-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](F)C1 1760497811 SKAPIVOGGCLGNW-QYZOEREBSA-N 433.572 4.667 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CC#N 1760973575 ABIAJVNUWHWWDT-LEDOBFOHSA-N 432.572 4.683 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCCC[C@H]1C(=O)Nc1ccccc1C#N 1860893039 MPDPXUNMIIQKCN-FQEVSTJZSA-N 441.984 4.886 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1862435672 BMNBHAXRRPPLPP-IBGZPJMESA-N 426.856 4.769 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2cccnc2)cc1 1862456471 SDLBANZJWKENMB-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862479675 NJCSNJFZGKJSOZ-GGAORHGYSA-N 435.520 4.541 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 1862507824 VCKAUNHRUUNBBV-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(F)cc2)c1 1862556008 MWWSYMDOXNBMPP-NRFANRHFSA-N 436.870 4.840 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(F)cc1F 1862560647 KDWVVHBQLOGABK-YIILKADPSA-N 426.463 4.704 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862593985 NVEHHDIMJMEOSV-NYHFZMIOSA-N 444.443 4.640 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Br)cc1 1862600106 PJEUVXGIOIKQCZ-IBGZPJMESA-N 444.325 4.923 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC(C)C)c1 1862639838 IOXJHRSCKAXPFA-JOCHJYFZSA-N 441.499 4.857 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862676915 UNNWAACDYQHICX-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862686721 CXPJCXBOZDMMMO-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc3ccccc23)cc1 1862692111 DBQBABRZSNVXOO-XMMPIXPASA-N 445.515 4.852 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862701042 VGUKPQAHDVJKCT-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862946558 UBHCFFVLJAZLAX-UHFFFAOYSA-N 429.426 4.795 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863123384 LCABKCCORRJYPP-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)c1 1865996563 ZZGOCQFFDIEASV-XYOKQWHBSA-N 426.472 4.767 30 10 IJEE CC(C)(NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866762432 IFMYCJUCBGLEMN-HSZRJFAPSA-N 447.485 4.892 30 10 IJEE N#Cc1nnn(-c2ccc(OC(F)(F)F)cc2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870137375 JYVMGQFTRYNIJY-UHFFFAOYSA-N 449.392 4.957 30 10 IJEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(O)cc1 1870350346 BCMKBDYSQSJKOQ-UHFFFAOYSA-N 445.563 4.675 30 10 IJEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1[N+](=O)[O-] 1871374947 KWQJPHIGTZGDKB-FBHDLOMBSA-N 446.371 4.647 30 10 IJEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871390269 NPSXDYIKJBGFBA-BKUYFWCQSA-N 432.428 4.985 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)Nc1ccc(F)c(F)c1F 1871442709 FGOWXOHMACCPJQ-OCKHKDLRSA-N 443.352 4.877 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)CCCC 1872259562 JAJZFCWSPHDLJZ-IBGZPJMESA-N 432.989 4.840 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2[nH]1 1872807762 DGLLNLOPNCZKND-UHFFFAOYSA-N 439.475 4.835 30 10 IJEE C=CCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2cccc(Cl)c2Cl)C1=O 1873123794 QTKRHTOQVXBJAN-UHFFFAOYSA-N 440.330 4.573 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2cccc(OC)c2)C1=O 1873214882 CTDXMPCVHVYQMA-UHFFFAOYSA-N 436.817 4.745 30 10 IJEE CCCOc1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SCC)cc1 1874261688 NOODRGQTFHSZIT-ZMOGYAJESA-N 432.496 4.918 30 10 IJEE CC(C)(C)N1C[C@H](c2nnc(SCc3ccccc3)n2/N=C/c2cccs2)CC1=O 1874277709 CPMRCXALUXZEJR-YXUUZYBBSA-N 439.610 4.629 30 10 IJEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1cccnc1 1874353091 QLHBIGXTQMPVCV-CVKSISIWSA-N 429.549 4.873 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(C)cc1 1874391931 YAQQOWHHWGIJLW-PTFSYIGCSA-N 435.597 4.581 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc(OC)c1 1874495079 TWGGYUQISNGJKE-MFKUBSTISA-N 449.580 4.730 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C(C)C 1874509321 WTSTVLDLMWDWQY-BUVRLJJBSA-N 437.569 4.803 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)cc1OC 1874565531 FYNKNMYCLQMSTD-PCLIKHOPSA-N 432.549 4.990 30 10 IJEE COc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Br 1874621438 WRQYFEWDBBJCGK-DUXPYHPUSA-N 440.087 4.845 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1875159069 ARAKGTFYMQTRNR-NTUHNPAUSA-N 436.435 4.723 30 10 IJEE COc1cc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(Br)cn1 1887368747 WESASTMWTMLPIQ-QGZVFWFLSA-N 432.318 4.855 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)CCCCNC(=O)OC(C)(C)C 1922085656 KCDKDWXMZSGHLW-DHLKQENFSA-N 434.621 4.574 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1944417242 BWXSUQBDQZBFKE-PDOGEWKWSA-N 427.545 4.967 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(C#N)c(Cl)c1 2010515435 JJEFGXVBZOCVNO-LJQANCHMSA-N 443.931 4.650 30 10 IJEE C=C1CC(C[C@@H](CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)NC)C1 2011045089 BDLHAZVHKDOKJN-QHCPKHFHSA-N 427.633 4.880 30 10 IJEE C=CCC[C@H](COc1nc(Cl)nc(Cl)c1Br)NC(=O)OC(C)(C)C 2012510856 UOGCOEZWVHQEPQ-SECBINFHSA-N 441.153 4.784 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3cc(Br)c(Cl)s3)CC2)OC1(C)C 2052399171 MLXKSGLOOSOUEV-UHFFFAOYSA-N 432.576 4.568 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(Cl)ccc2Br)C1 2062969172 JHWOOVUEFDBMES-UHFFFAOYSA-N 429.742 4.902 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079904822 UMRBIEBUPNBJGY-QGZVFWFLSA-N 449.336 4.973 30 10 IJEE N#Cc1c([C@H]2CCOC2)nn(Cc2ccc(C(F)(F)F)cc2Br)c1Cl 2080291868 MUQYCOHOOLYKLH-JTQLQIEISA-N 434.643 4.742 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3cc(Cl)cc(Br)c3)C2)OC1(C)C 2098175311 JUQMGZSMSYNTRJ-ZDUSSCGKSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CN(c2cccc(Br)c2C#N)C2CC2)C1 2174812405 KQZMNDFCTHHPNT-HNNXBMFYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)CC12CCC2 2174812899 QBKJFQCKYPKWRD-QGZVFWFLSA-N 438.341 4.734 30 10 IJEE C[C@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)ccc2C#N)C1 2181142358 VKPMYQNPWMWRKP-RBZFPXEDSA-N 436.350 4.733 30 10 IJEE CC(C)[C@@H](CCCC(=O)Nc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C 2235330456 LDXWMSVUZHJKSU-MRXNPFEDSA-N 438.366 4.979 30 10 IJEE CC1(C)CC[C@@](O)(C#Cc2ccccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 2235739319 HGBUMNCKAQJECO-VGSWGCGISA-N 436.390 4.883 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2235745485 CTUKYOBAJBJEFT-MJGOQNOKSA-N 433.390 4.568 30 10 IJEE Cc1sc(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(Br)c1C 2237669971 IUOABIKOACJLSG-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE CCc1ccc(C#C[C@@H](O)c2ccc(Br)cc2I)cc1 2239658965 VBVCFEWDTOHQTL-QGZVFWFLSA-N 441.106 4.701 30 10 IJEE Cc1cnc(N[C@@H]2CC(C)(C)CN(Cc3ccccc3)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2241048474 DQVCQAXDYOMBQO-NFBKMPQASA-N 449.448 4.790 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCCNC(=O)OCc1ccccc1 2264196340 QNPKNDPOXBMCOH-QFIPXVFZSA-N 443.385 4.875 30 10 IJEE C=CCCC1([C@H](O)Cc2cccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266217295 SAFIQDWQNCNCDB-MRXNPFEDSA-N 428.342 4.695 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC4(CCN(Cc5ccccc5)CC4)C3)CCC2)OC1(C)C 2267000293 WARKAWDAWQYYTB-UHFFFAOYSA-N 438.421 4.518 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@]1(C)CCOCc1ccccc1 2282105074 FZOPJZDYTRSLJX-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@H](O)C#Cc1cccc(Br)c1 2296227044 LLCMARINCYXBPI-IEBWSBKVSA-N 448.382 4.758 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1C(C)C 2296227283 NIYBPMHMFULFOT-JQVVWYNYSA-N 435.406 4.718 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2296228737 BSGXILJOHOKMDI-MOPGFXCFSA-N 433.390 4.711 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296272957 MWENCAUEXMHTCA-HKUYNNGSSA-N 448.382 4.758 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@@H](C)C[C@H](C)CN1C(=O)OC(C)(C)C 2296299746 YVKWETWBGLPFFY-FEHORTKBSA-N 435.406 4.670 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2296309198 ROPASAZZTPIBRQ-MJGOQNOKSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(CC)CCCN1C(=O)OC(C)(C)C 2296311495 XNAYUJMMBYHVOI-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCCCC2 2305402678 IANOLXUGAHJFNC-VWLOTQADSA-N 428.573 4.842 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2OC)SC1=Nc1ccncc1Cl 2314541723 BPDAPLLBFXNCMW-UHFFFAOYSA-N 445.928 4.551 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1 2322456037 XJSBAYARAVPYLY-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(F)cc2F)cccc1OC 2322502580 KZOMCGCFCCDRPZ-UHFFFAOYSA-N 431.479 4.897 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1cccc(OC)c1OC)C2=O 2322698749 INQBAQJTCHTPLI-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCOc1cc(C=NNc2cnnc(O)c2Cl)ccc1OCc1cccc(Cl)c1 2323101767 QHULOGBWYGEKNS-UHFFFAOYSA-N 433.295 4.913 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)c1OC 2325739988 KXJOTYBPSJHJHG-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CC(C)c1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCCO)cc1 2328098860 KVBDRCGBDVCREA-UHFFFAOYSA-N 428.989 4.807 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c(O)c1 2330462414 QBZKSPYZNFTGMG-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1cccc(C)c1 2331436036 FOWSWNDTGBSYEE-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE C=CCSc1nnc(CCC)n1N=Cc1cc(Br)c(OCC)c(OC)c1 2331657424 GJCFQFHLINVYCY-UHFFFAOYSA-N 439.379 4.561 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)c(OC)c1 2331725173 VOVQFSMDQWPLHA-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339535455 LZFSXQMVNPYKQF-IEBWSBKVSA-N 443.397 4.608 30 10 IJEE N#C[C@@]1(Cc2ccc(I)c(Br)c2)CCOC12CCCC2 2377407098 ILYSIOWWWJCQSG-HNNXBMFYSA-N 446.126 4.839 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nc2cc(Cl)ccc2c1=O 9353620 RRZOTJPPIFHXMZ-UHFFFAOYSA-N 427.957 4.964 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1 20885728 JGPXRRYISQOZEH-CTNGQTDRSA-N 449.547 4.885 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(NCc3ccccc3)s2)CC1 23291309 DTZUDCRWFMCPRE-ZGOJQLDESA-N 429.615 4.562 30 10 IJEE Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 41501519 GGHOUSZPIWMNMC-JJFYIABZSA-N 431.400 4.827 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)c2ccc(C)cc2)n[nH]1)c1ccc(Br)cc1 59020906 HBTRLQCWAJMGHE-XKZIYDEJSA-N 444.358 4.687 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 63403770 YIPGBESJRCXCEW-OAHLLOKOSA-N 437.418 4.995 30 10 IJEE O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccccc2)S1 100414941 MUXZCSDSRYGEEE-LQUAGZSJSA-N 433.508 4.986 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2cccs2)c1 169928375 ICICALGFGGNXLY-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 169960368 AVOAKDMXGJXBGV-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccnc2)c1 170000726 BWCMEDHKUHRSOG-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)s1 170044221 JUUXQAKASWCJSI-QGZVFWFLSA-N 432.929 4.640 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2C)cc1 170088686 FTLWMMBGHUGJSD-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccco2)c1 170095658 KSGSTERCJCHLKA-JOCHJYFZSA-N 430.460 4.638 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCO2 170189051 KTVIVWIFCQZVFZ-JOCHJYFZSA-N 446.890 4.843 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccnc1 170189118 URSPARSXRYVHKF-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 170229653 JPHRLXXRMLYPKZ-QFIPXVFZSA-N 433.410 4.683 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(F)c4)[C@@H]3c3ccco3)ccc2O1 170282116 NAWHXXXXXVYKFL-XUSGNXJCSA-N 437.398 4.664 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)c(OC)c1 170286894 FTSFQCHBKPUVIZ-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccco2)cc1C 170288053 VHZTWZNPEJKLMB-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE CC(C)Oc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 170475801 XGFFYAOBAAZLMO-QFIPXVFZSA-N 425.500 4.776 30 10 IJEE COCc1cc(C)nc(NN=Cc2cc(N=Nc3ccc([N+](=O)[O-])cc3)ccc2O)c1C#N 254287391 BKHUWNIHDKFDPP-UHFFFAOYSA-N 445.439 4.883 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C\c3cc4c(cc3C)OCO4)C(=O)N2CC)cc1 254392380 JJLYNWVIJDTCDV-HTHTTXKWSA-N 438.505 4.524 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)c2ccc(I)cc2)CC1 309897009 GXIQCQBQRCSPMD-INIZCTEOSA-N 426.298 4.545 30 10 IJEE CCO[C@H]1C[C@@]2(NC(=O)N(c3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2=O)C1(C)C 445988349 NHMJOZQBOKCEBT-CVDCTZTESA-N 439.899 4.634 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCc2ccc(F)c(F)c2C1 460543294 IDCMHDWXXVXTCZ-UHFFFAOYSA-N 442.535 4.996 30 10 IJEE C=CCC[C@H](NC(=O)NC(C)(C)c1cc(C(=O)OC)on1)c1ccc(C(F)(F)F)cc1 460943441 LKUKROPIEDANNC-HNNXBMFYSA-N 439.434 4.722 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 508492632 WUSUZDCPWXDUCK-FQEVSTJZSA-N 444.457 4.736 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(OCC(C)C)CC1 508914339 SOBGZNSIFVRVFR-UHFFFAOYSA-N 428.577 4.568 30 10 IJEE C=CCN(C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1nc(C(=O)OCC)cs1 523104335 KCIYBBBTLWVDRF-ZDUSSCGKSA-N 426.460 4.736 30 10 IJEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526662685 GZUWWICZKLQANE-UHFFFAOYSA-N 436.496 4.728 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC(C)=O)cc1 526811227 FMQGGKQIHAOUGY-QRVIBDJDSA-N 428.945 4.984 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 549290618 BUENYTUQXZALIH-KRWDZBQOSA-N 441.576 4.975 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1nc([C@@H](C)OC)no1 549326341 NEEKIDQMPUADFS-OAHLLOKOSA-N 442.589 4.578 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 559012294 SLSFXTKTOXBAOG-AREMUKBSSA-N 430.552 4.502 30 10 IJEE C=C(C)Cn1c(C)nnc1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 569829020 DUIJTFJLMTVPLM-MRXNPFEDSA-N 434.384 4.778 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccc(Cl)cc2)CC1)c1c(F)cccc1Cl 586506676 ZEUUVHXOPJOBTJ-UHFFFAOYSA-N 446.327 4.579 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccccc2)C1 619820201 YIPJLVOTNHUMKB-FQEVSTJZSA-N 442.386 4.947 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 699586259 XTPOBZVSXMNEFZ-CYFREDJKSA-N 445.560 4.655 30 10 IJEE Cc1ccc(CN2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 704719278 PSBFQFFCZBUGRX-SANMLTNESA-N 448.460 4.637 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(C(C)C)n(Cc2ccco2)c1=S 745155523 VGLHJXIKJUMFRJ-UHFFFAOYSA-N 427.530 4.733 30 10 IJEE COc1ccc(CNC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N 771344783 UGDGOGHXLWNYOZ-SFHVURJKSA-N 435.471 4.585 30 10 IJEE CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)OCc1cc(Cl)ccc1OCC#N 786154769 PTKSJGDCAKKZPT-ZWKOTPCHSA-N 446.887 4.549 30 10 IJEE C#CC[C@@H](OC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccn1 788353729 KEHKKNYHEQERMM-RTBURBONSA-N 443.931 4.702 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(OC)c1 790280725 XNVQTGWDMBTJFE-FQEVSTJZSA-N 441.528 4.761 30 10 IJEE Cc1ccc(C)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC3(CC#N)CC3)C2=O)c1 797424018 BKZUHHYQBRHZFW-OAQYLSRUSA-N 446.576 4.958 30 10 IJEE N#Cc1cc(NC(=O)N2CCO[C@H](C(F)F)C2)ccc1Oc1ccc(C(F)(F)F)cc1 801634234 IWBBCZVNXSWPQD-KRWDZBQOSA-N 441.356 4.867 30 10 IJEE Cc1ccccc1-c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1ccccc1 802128848 XDLCEHFIENVOOM-VWLOTQADSA-N 435.531 4.751 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 806250301 VJYXFLCQRAGEHL-OAQYLSRUSA-N 448.544 4.639 30 10 IJEE CCCCCOC(=O)CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1 1084203279 OJLUFTVDTVPRTL-UHFFFAOYSA-N 439.541 4.869 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cccc(NC(=O)[C@H](C)CC)c2)CCCN1C(=O)OC(C)(C)C 1125162118 ZYRBEXCVJLITDZ-CJAUYULYSA-N 443.588 4.633 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)c1ccccc1 1125306212 SQIBMNMPBZOPQT-PMULYYKTSA-N 439.581 4.578 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1 1125420045 BVMHGENMVRBWOD-UHFFFAOYSA-N 426.451 4.914 30 10 IJEE C=CCn1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)c(Cl)c2)CCC3)nn1 1127784821 QAMJCKYVHGBGQA-UHFFFAOYSA-N 447.347 4.804 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1 1128905786 HSZDQVFXKJHMHK-JOCHJYFZSA-N 427.470 4.985 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)cc1 1129491265 CZWTZVGWFBIRNF-HSZRJFAPSA-N 431.540 4.516 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12 1134250243 ZAPRIAPYPCWAID-RUZDIDTESA-N 430.548 4.848 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 1135574105 JDQCYLPEOFFKTR-UHFFFAOYSA-N 434.945 4.834 30 10 IJEE C#CCN(CCCOc1cccc(C#N)c1)[C@H]1CCOc2ccc(Br)cc21 1167420395 CYUSQYGERNAZHH-NRFANRHFSA-N 425.326 4.549 30 10 IJEE C=CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H](Cc1ccccc1)C(=O)OCC 1180897675 XXDKVXVLAWGBTN-NRFANRHFSA-N 432.605 4.684 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)cc2)nc1 1214965202 IARVOFZPPYYZEP-JOCHJYFZSA-N 441.535 4.779 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1231221473 NEFFRZUCKPCYPG-NHCUHLMSSA-N 443.588 4.552 30 10 IJEE C#CCCOc1ccc(C(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1 1265508168 JUINASOSHKDTDU-OAQYLSRUSA-N 444.497 4.615 30 10 IJEE C=CCC[C@@H](NC(=O)c1nnn(-c2cccc(Br)c2)c1C)c1ccccc1 1266420556 DSBJTBUNOKFOAU-LJQANCHMSA-N 425.330 4.776 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1oc(CC)nc1C 1286277283 XRDYNAHRCPREKP-QGZVFWFLSA-N 442.567 4.718 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2ccnn2C)CC1 1286344071 YRJIRWRNYIWALJ-OAQYLSRUSA-N 446.599 4.566 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OCC(C)C 1286453353 ZOLYNYSYGPLJMI-FYYLOGMGSA-N 438.616 4.739 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(C)CC1CCC1 1286534820 DJBSWXNNNSJRGK-INIZCTEOSA-N 449.393 4.962 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)CN1CCCCC1 1286749387 QOTSFEZICWYUDC-SFTDATJTSA-N 443.661 4.548 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(CC(C)C)C1 1286752382 YVHZBUDXQAFBJU-IFMALSPDSA-N 443.661 4.752 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1ccccc1 1288247719 MOLFTKWGNFFYFI-MRXNPFEDSA-N 429.314 4.859 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 1291956836 WMLWZUZWRSRCFG-LJQANCHMSA-N 430.321 4.636 30 10 IJEE C=CCNc1ncc(C(=O)Nc2nc(Cc3ccccc3Br)cs2)s1 1295485714 YGBRRJAMNVXRRL-UHFFFAOYSA-N 435.372 4.803 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)n[nH]2)c1C 1298058363 IBUFLTLANXIEJM-NRFANRHFSA-N 427.911 4.750 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)Cc1cccs1 1300275731 ZDIYSUDGQFEOGG-OKZBNKHCSA-N 426.561 4.955 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CCCC2)C1 1300829376 AWSRHPPLAFVTBI-UHFFFAOYSA-N 447.377 4.641 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Cl 1300886471 XTPYMEIQJKITQQ-NRSPTQNISA-N 430.980 4.791 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@H](C)C1 1300946298 XPBMSJFCGYQBCP-OALUTQOASA-N 434.588 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccccc1Cl 1301149552 ALWFAOGRGWDQST-UHFFFAOYSA-N 426.952 4.506 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)NC1CCCCC1)C1CC1 1301321199 ZARKNFFXIIEYEL-UHFFFAOYSA-N 427.980 4.592 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1301432754 BOPKEGXOCKVXNV-QHAWAJNXSA-N 441.595 4.834 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC=CCC2)C1 1301542149 KPVNXQFVSGAVEE-CVEARBPZSA-N 449.418 4.907 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCc1cccc(C)n1 1305462093 BLRKZTLWEOLWQK-IBGZPJMESA-N 444.583 4.657 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](Cc2cc3ccccc3o2)C(=O)OC)cc1OC 1308934677 FCPOOJWQCXVITK-LJQANCHMSA-N 429.900 4.534 30 10 IJEE Cc1ccc(N2CC[C@H](NC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)C2=O)cc1 1310603779 DAHMJEUCXSQOMC-QFIPXVFZSA-N 426.476 4.586 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nc(COc3ccccc3)cs2)cc(OC)c1OC 1311053252 SEZSDOIOGSNQDF-UHFFFAOYSA-N 439.537 4.790 30 10 IJEE C=CCC1(CNC(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CCCC1 1312685611 GHIKOONSMMGKTA-NRFANRHFSA-N 427.589 4.784 30 10 IJEE C=CCN(Cc1cccs1)C(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 1351046108 DTVVXNZRSMTTMT-UHFFFAOYSA-N 432.508 4.842 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1 1353786609 POLCKAFYASDTCC-UHFFFAOYSA-N 434.536 4.524 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 1353816879 ACGGFTVZGCZOTB-UHFFFAOYSA-N 437.414 4.514 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCCOC1 1359079240 CGQAEZKZNMZNET-ZDUSSCGKSA-N 443.748 4.509 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359102250 ZDEDSKNZXHAJHA-ZRAXVTTISA-N 448.533 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cccnc1OCC 1359109691 KXSASKKGQTTZJU-UHFFFAOYSA-N 441.963 4.852 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1359179924 KZIYRYWANOIQQQ-MBSDFSHPSA-N 430.543 4.611 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 1359202800 BUWCXIPXFXBGKP-AWEZNQCLSA-N 425.396 4.599 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN(C)C1CCCCC1 1359234324 LKAHEFAHLBJVQI-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCO[C@@H]1C(C)C 1359234748 ZIISGHVKQCAERX-RHSMWYFYSA-N 439.423 4.843 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF 1359275514 VZGWXOYUFUCZLY-QFBILLFUSA-N 444.352 4.801 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(F)c(F)c1 1360787856 FJZHCCZKILMHST-WSCWJOSJSA-N 443.542 4.653 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 1436684827 FHERMFILTFETEE-ZEQRLZLVSA-N 426.560 4.996 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C(=O)OC 1438402791 RBHKLQSLSBBIQR-KRWDZBQOSA-N 436.277 4.618 30 10 IJEE C=CCC(CC=C)C(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1439591557 MPPXUVGOBFLUNL-NHCUHLMSSA-N 440.584 4.911 30 10 IJEE C#CC[C@@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1446343061 UHCWNHFHZSIPNY-NIYFSFCBSA-N 438.527 4.794 30 10 IJEE C=CCc1cc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 1457193771 JCZRKYUDCKYPSJ-GOSISDBHSA-N 446.588 4.589 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3CCCc3ccccc3)CC2=O)cc1Cl 1458179231 DCBHFSXZMMBVDT-YADHBBJMSA-N 449.982 4.969 30 10 IJEE C=CCn1c(SCc2ccc(N3CCC(OC)CC3)cc2)nc2sccc2c1=O 1458828101 QHIIBDCEODUYFV-UHFFFAOYSA-N 427.595 4.552 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(N2CCN(CC)CC2)c1 1459285197 KOGKMXMOCOQNHJ-UHFFFAOYSA-N 433.474 4.664 30 10 IJEE C=CCN(CCCS(=O)(=O)c1cccc(C)c1)Cc1cc(Br)ccc1F 1459415738 JFHMUBPSUCMEEO-UHFFFAOYSA-N 440.378 4.749 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@]2(C)CC2(F)F)nnc1-c1ccc(Cl)cc1Cl 1461647875 HCXHNMYMAIPKJQ-QGZVFWFLSA-N 447.338 4.692 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1463374384 BYUNKDUSYFQCTK-GOSISDBHSA-N 428.432 4.741 30 10 IJEE O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H](O)c1ccc(C(F)(F)F)cc1 1464162263 FBPWDJUFTSTTGI-CYBMUJFWSA-N 427.272 4.580 30 10 IJEE C=CCC[C@@H](NC(=O)CNC(=O)NCc1ccc(C)cc1)c1ccc(C(F)(F)F)cc1 1466281135 AZMLHYABKNATGB-HXUWFJFHSA-N 433.474 4.637 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1467935030 HYRDGMZSVZJTQC-QINHECLXSA-N 436.955 4.943 30 10 IJEE C=CC[C@@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C)c1ccncc1 1468886560 ZYPADJZPRJCSJG-UYAOXDASSA-N 428.577 4.520 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)cc1 1470252946 BQGCTLJQYKLRPP-HSZRJFAPSA-N 441.369 4.768 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1Nc1ncnc2ccc(S(C)(=O)=O)cc12 1472666513 AOEAPDVURDFOPC-UHFFFAOYSA-N 430.489 4.749 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](Nc3nc(-c4cc(Cl)cc(Cl)c4)no3)C2=O)cc1 1472754816 CATRFEUSVANXBQ-QGZVFWFLSA-N 428.279 4.523 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cc(F)cc1Br 1475384648 CCRNGBVHLNLSOM-AWEZNQCLSA-N 432.742 4.707 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)c2ccc3ccccc3c2)cc1 1475974532 ZAIMCXDEVVOCPZ-UHFFFAOYSA-N 437.565 4.703 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc([S@@](C)(=N)=O)cc1 1476757986 PJOOVVKKGDVYPS-SANMLTNESA-N 440.338 4.844 30 10 IJEE C#CCC1(O)CCN(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1 1477315842 SYOLTAJHRYMLQD-HXUWFJFHSA-N 435.955 4.513 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 1478895633 GEWCDAJQIGLOPQ-IRXDYDNUSA-N 431.241 4.719 30 10 IJEE COCCC1(Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1504773276 GHUQXUHNWLECGW-DEOSSOPVSA-N 437.588 4.502 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H](C)C1CCC1 1507597120 VLVSADFLONNTCA-ICSRJNTNSA-N 429.609 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1c(C)noc1C 1507794039 GGYXDEUNJSSEHP-GMAHTHKFSA-N 435.572 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(C)C)CC1 1507794264 DREWUQQWAUIXAJ-UGKGYDQZSA-N 444.023 4.547 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCOC(C)(C)C 1507795232 KIJWTVFDQFPTPE-NZQKXSOJSA-N 449.599 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2cccc(C)c2C)CC1 1507803880 HMSJWCOVYVNBJZ-APTRMMRNSA-N 437.632 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCn1nc(C)cc1C 1507818869 XTCOFBNAEOZWHX-UHFFFAOYSA-N 429.572 4.799 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H]1CC=CCC1 1507838156 LDJDMIZEDZTMLN-GOSISDBHSA-N 430.980 4.992 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1507884443 UPCZDQAPLRXTFH-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cccs2)CC1 1507911207 JKUSYGOQOBQKOQ-UHFFFAOYSA-N 425.602 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](COc2ccccc2)C1 1507923037 KYCQNHZVULAHMZ-JOCHJYFZSA-N 431.584 4.772 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)c1ccco1 1507946714 UJSLUYMHTRPUDK-GOSISDBHSA-N 446.555 4.822 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(F)(F)F 1507958295 AEYBITVGBKURGU-UHFFFAOYSA-N 428.524 4.867 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 1507972497 WZMIFFIZJRLKHC-GOSISDBHSA-N 431.531 4.985 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCN(CCC)C1 1507986598 QRGXNWPJXWZMEY-MRXNPFEDSA-N 438.403 4.518 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1Cc1c(C)coc1C 1507999745 OQMSSJPLAXYATQ-UHFFFAOYSA-N 426.524 4.606 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C)CC2)C1 1508129221 QFJARCHWTUTPIC-MRXNPFEDSA-N 437.371 4.745 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2cccc(C)c2)cn1)[C@H](Cc1ccccc1)C(=O)OCC 1516156706 SLPTZGFPSPRXMU-RUZDIDTESA-N 444.531 4.985 30 10 IJEE COC1(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)CCCCC1 1517946061 AANSWRBRCZXVMY-QGZVFWFLSA-N 431.968 4.598 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1518562732 GEBHAUTWSSKXAH-YIFZBPKDSA-N 431.943 4.683 30 10 IJEE CS[C@@H](Cn1c(Cc2ccccc2F)nnc1N(CCC#N)CC1CC1)C(C)(C)C 1519867117 BYXKJMGOJRLKMH-FQEVSTJZSA-N 429.609 4.916 30 10 IJEE CC(C)(C)c1cc(NC(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)c(C#N)s1 1520662701 AALQVBYYDKWWIT-LLVKDONJSA-N 432.343 4.744 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 1525225015 MJVCZYQBAAOZHD-UHFFFAOYSA-N 437.547 4.648 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCOc2c(C)cccc2C)c(C(=O)OCC)c1C 1525888339 YTDRFNXJLUAKTG-UHFFFAOYSA-N 445.537 4.600 30 10 IJEE CCCCN1C(=O)CC[C@H](C(=O)O[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1ccccc1OC 1533618605 DKRMQKGYHCEXKJ-PZGSVQSZSA-N 434.536 4.951 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCC2CCC2)c1 1533986056 WNJZFASUNFUYQI-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE CCCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1534164325 GHPWFTJTZLGGLT-OFNKIYASSA-N 433.552 4.604 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(c2ccc(C)c(F)c2)C2CCOCC2)cc1OC 1534869539 GBAMCWHVALYGCC-JXMROGBWSA-N 425.500 4.933 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CC)CCOCC1 1538982305 DAMPWGKOWZGEKB-ZWKOTPCHSA-N 426.630 4.796 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1539109636 SPQNHJCIKSHKDY-VWLOTQADSA-N 435.572 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCCC[C@@H]1C 1539547279 WOSTXBJTZHVZPF-MHECFPHRSA-N 443.998 4.994 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1539621701 AYULVEJGYHVCAZ-YCZSINBZSA-N 442.579 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nccn1C(F)F 1539650158 LHLOUGTWYUOYDX-HNNXBMFYSA-N 434.466 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cccc(Cn2cccn2)c1 1539674352 RZWPPYJPMYQYQO-UHFFFAOYSA-N 432.597 4.626 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539731061 XCNIVZJGKYDWBC-HSALFYBXSA-N 449.640 4.514 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539848970 SFGRDMNBZTYFDO-RBUKOAKNSA-N 431.625 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539909849 QOKJRMDNDZEPOR-SANMLTNESA-N 448.615 4.595 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C1CCCC1 1539918891 SPTLMKJAMLHWAR-UHFFFAOYSA-N 434.588 4.563 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)c1ccccc1 1539946376 AISFJUWWGDTUBR-VXKWHMMOSA-N 449.643 4.722 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)C)C1 1540029106 LSMVFOGFYFVXNP-IBGZPJMESA-N 439.387 4.706 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC1CCN(CC(F)(F)F)CC1 1540064530 XDVOCJKJBZODRR-UHFFFAOYSA-N 446.521 4.713 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1540095472 QJRVIZISJKNQNI-UFYCRDLUSA-N 441.595 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nc(C)cs1 1540154152 QJULHVDXHNANCP-UHFFFAOYSA-N 448.365 4.838 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1540360574 XDAJDMADYCPVPM-BBRMVZONSA-N 428.982 4.677 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCC(C)CC2)C1 1540885653 NBADUOQQGIGTPN-UGKGYDQZSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@H]2C)C1 1540885763 OXWCZSKSPXWJRH-KJXAQDMKSA-N 438.616 4.697 30 10 IJEE CC1(C)C[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1 1541998528 FNGMWGIVXFYOIW-QGZVFWFLSA-N 428.378 4.884 30 10 IJEE CS[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H](C)CC#N)C(C)(C)C 1555856755 DNYQDTVRYWUXMA-AZUAARDMSA-N 429.634 4.990 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 1557838108 HQWDYSOUNAZBSO-UHFFFAOYSA-N 427.426 4.654 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3c(Br)cccc32)cc1 1562264789 IPTUIAWXSNVODN-UHFFFAOYSA-N 440.341 4.858 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cc(OC)ccc1Br)c1ccc(F)c(F)c1 1563695944 LMCWWNXNARFPED-SFHVURJKSA-N 425.273 4.853 30 10 IJEE C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc2c(c1)OCCO2 1565517888 OMTPQHZOXVYEKB-CUCKYGFWSA-N 437.546 4.618 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4sc(C)nc4C)cs3)n[nH]2)c1C 1565624985 TXQZERCNQSVQNM-UHFFFAOYSA-N 439.570 4.525 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccc(Cl)cc1 1583550326 XDOSFGJZRDIZPV-MRXNPFEDSA-N 432.680 4.532 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1587043856 OUEFFDCTMWUYOZ-RDTXWAMCSA-N 425.356 4.773 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)C)cs1 1587561949 JFAUCPMJILHGHR-CVEARBPZSA-N 427.549 4.643 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1nc(C)c(C)s1 1587592534 CMDXJMAQQJVQBX-MRXNPFEDSA-N 447.564 4.697 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(Cc1ccccc1)CC1CCOCC1 1587759635 XQLWLNSGUWHFOA-DEOSSOPVSA-N 436.600 4.756 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1587773226 FLXJOKVCCSHPDU-HXUWFJFHSA-N 437.588 4.960 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C1CCCCC1)N(C)C 1588105404 XAVQYBUJZFZMFV-RUZDIDTESA-N 445.655 4.826 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC)(CC)C1 1588976225 STRBFRRKPKAHJV-UHFFFAOYSA-N 439.629 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3ccccc3o2)n1CC[C@@H](OC)C(F)(F)F 1589171857 SVJYIOLSLWORFP-WIYYLYMNSA-N 432.446 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCCOc1ccc(F)cc1 1589229007 XHPKMEJSGOXZBV-XMMPIXPASA-N 438.572 4.921 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CC)Cc1c(F)cccc1F 1589515834 SLDTZMLNHUDMFG-PGRDOPGGSA-N 439.510 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1589545614 ODSRPRUDJQPBAC-BKULYWANSA-N 437.632 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 1589557155 GXAYIEXTWASBAK-LEDOBFOHSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCc1ccc(Cl)c(OC)c1 1589668736 BLMOPDZJNMCKQX-UHFFFAOYSA-N 425.964 4.571 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)N[C@H](C)CC)CC1 1594035255 GDZZJIDSJBOCBE-ZWKOTPCHSA-N 441.645 4.593 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC2(OC)CCC2)CC1 1594063978 HFEOCIJFCONJDF-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1594460845 DRDUOHZOCLRMDA-GOSISDBHSA-N 443.592 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC(N)=O 1594461002 HIZZXLTTXLPRCV-MRXNPFEDSA-N 429.634 4.578 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1594528726 MRHFWXGIARSRLY-VQTJNVASSA-N 440.588 4.616 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2cccc(F)c2)C1 1594536977 ZXHMYEIQUMQZIE-ONTIZHBOSA-N 442.579 4.737 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1594552490 NZJUUEHZUZKRLG-FQRUVTKNSA-N 449.599 4.524 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(CC)C1)c1ccccc1 1594552649 PRUNMDOMUPLPHI-TUGCOKMYSA-N 438.616 4.988 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN1CC 1595075562 HVBDODKYNFTDOF-QFIPXVFZSA-N 449.599 4.922 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1595133607 IUWGUBBHUAPMGV-SQJMNOBHSA-N 442.579 4.537 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cccc1SC 1595283217 OJAVDJUEZDHMQR-UHFFFAOYSA-N 447.967 4.542 30 10 IJEE CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@](F)(C#N)C1)SC 1613499664 ASSQDTYEQLIOMA-QFIPXVFZSA-N 445.608 4.838 30 10 IJEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)o1 1613864837 CULPHWROEWAMNR-PXNSSMCTSA-N 448.571 4.651 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cc(C(=O)N3CCCC3)ccc2OC)cc1OC 1620839029 WJLJKHPAOVRDBQ-UHFFFAOYSA-N 430.932 4.770 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CCCC1(C)C 1622084372 WSUITUPYXLXTGL-SFHVURJKSA-N 425.392 4.696 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1622251740 DEXVMUYBKUWKET-QGZVFWFLSA-N 448.388 4.952 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3cc(C)ccc3C)CC2)cc1 1622886812 UNPAGUXPBZPQFP-UHFFFAOYSA-N 441.597 4.521 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(-n2cccn2)c(F)c1 1622984090 CWSGVDCTEDFMBJ-MRXNPFEDSA-N 442.454 4.953 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CC(=O)Nc1cccc(C)c1C 1625538048 AHWPUKDJCBKZEB-UHFFFAOYSA-N 446.345 4.733 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 1629310622 RBHZPRVBPFVYBB-JOCHJYFZSA-N 447.457 4.601 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 1636892807 VONOFKPSNSGNHR-DSKINZAPSA-N 434.422 4.972 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)(C)CC#N)ccc2C)cc1 1638757570 BMAZTZSWUSDQIG-UHFFFAOYSA-N 441.597 4.808 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cn(-c2ccc(Br)cc2)nc1C)c1ccccc1 1640208732 ULJHYOYFLDVWKY-MHZLTWQESA-N 444.354 4.797 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)C(C)C)nnc1-c1cccc(OC)c1 1640970760 WCQYRZLOFWQMMF-OPYAIIAOSA-N 442.629 4.761 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 1641675387 KMSYZPULNMXSEJ-CQSZACIVSA-N 448.336 4.562 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1643369869 IOLRXHHRHAXCKN-HXUWFJFHSA-N 431.964 4.746 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC2(CCOCC2)[C@H]1c1ccccc1 1643425178 BZPBBTJGZBJCGJ-YADARESESA-N 435.593 4.731 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(OC)C1CC1 1649540684 YOMJOROCWQHPRA-WXTAPIANSA-N 431.584 4.626 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc2cc(Br)ccc2[nH]1 1650916472 RRERIYJPFVPEKV-UHFFFAOYSA-N 448.158 4.995 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(Cl)c(Cl)cc2n1C 1654637106 FSSOPVIFCCIOIF-CYBMUJFWSA-N 447.750 4.855 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(Cc2ccccc2)[C@H](CCC)C1 1657920512 WVUSDIOHSBLEEH-FYYLOGMGSA-N 425.642 4.638 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 1659596528 HMSSATRTVBTLOX-UHFFFAOYSA-N 435.430 4.551 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cc1 1667629252 PWAKSMONMFCOIM-RUZDIDTESA-N 432.495 4.630 30 10 IJEE CC(C)Oc1ccc(Br)cc1NC(=O)N1CCN(c2ccsc2C#N)CC1 1668153408 BIGAFKGSRCESLM-UHFFFAOYSA-N 449.374 4.524 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1668823647 FUXVVPAPRWOBOF-JOCHJYFZSA-N 440.588 4.729 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)c1ccc(Br)cc1 1669427896 UBXWBDBQSRYUSS-OAQYLSRUSA-N 426.335 4.769 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)CC1 1672467336 GKQJXDKXBFAPKS-GOSISDBHSA-N 445.350 4.657 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)CC1 1673472823 ANTFOVAQLYESKN-UHFFFAOYSA-N 449.477 4.886 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)cc1 1674518413 BCJIHLUCWCUAGG-UHFFFAOYSA-N 441.531 4.632 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)cc(OC)c1OC 1676122467 MJKHWUWJYUDCFG-HXUWFJFHSA-N 436.474 4.795 30 10 IJEE C=C(C)[C@H](NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1ccc(F)c(F)c1 1677322535 VTLGVXCHJINXDJ-NRFANRHFSA-N 435.559 4.695 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)NC2(Cc3ccc(Cl)cc3)CCC2)CC1 1681580427 BJPXVIJTFZIJGO-UHFFFAOYSA-N 438.959 4.761 30 10 IJEE C=CC[C@@H](CO)CNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 1684301771 SGNXNCQYYKHQOB-JLTOFOAXSA-N 425.331 4.900 30 10 IJEE C#CCC1(O)CCN(C(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(C)c2)CC1 1684891125 XRYXKDGCAZOBGY-UHFFFAOYSA-N 430.907 4.640 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1689892968 QXIROVKJXGRHBN-PMACEKPBSA-N 445.652 4.800 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1689919416 NNZUNTATAOYEEC-BLLLJJGKSA-N 447.288 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1CCCCC1 1690039502 ILCDFAKUKJNIJM-UHFFFAOYSA-N 434.584 4.786 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC[C@@H]1C 1690059291 NLQHQKJIJIYTQQ-SLFFLAALSA-N 445.007 4.820 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1690081400 IPZCMZRMJZWPQY-UHFFFAOYSA-N 447.539 4.765 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690083965 RPCZLJLEHSKUSD-SQJMNOBHSA-N 436.600 4.730 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H](C)N1CCC(C)CC1 1690089636 IQRPLZYVJSAOQH-OAQYLSRUSA-N 437.607 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCC(F)(F)F)cc1 1690198716 ZSKRIFHKBTWMRN-JOCHJYFZSA-N 444.457 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1nccnc1C 1690271268 JSWWOYSHIMYQLR-UHFFFAOYSA-N 448.615 4.898 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1690397263 ZJXBIBTVMGVEHM-XFAGBWLFSA-N 430.568 4.757 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1690419663 YJORGIQPDVQRLX-FQEVSTJZSA-N 425.621 4.867 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1690455986 QSSAZFFJFZXAOM-HZPDHXFCSA-N 449.393 4.686 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1690462356 DYMRORBWMJOISQ-CGXNFDGLSA-N 443.636 4.984 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCOCC1 1690468214 VDQUBLGJLALWGT-UHFFFAOYSA-N 425.360 4.747 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1690500224 OQHKRMUSMCRMJG-IRXDYDNUSA-N 449.368 4.532 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@H](O)C1 1690575876 FAUKJOUJFSKRFW-MSOLQXFVSA-N 426.561 4.889 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1c(C)coc1C 1690603590 FDKPCCSVQSWDEA-UHFFFAOYSA-N 444.583 4.633 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@H](C)C2)C1 1690706253 HAAHGTVHTVTHBK-SYYKKAFVSA-N 445.007 4.509 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1690736100 STFWGCMIYQQRPC-PKTZIBPZSA-N 439.673 4.804 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)c1ccccn1 1691730177 FPHCQVZIWQBOQF-UHFFFAOYSA-N 426.568 4.940 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2cccs2)c1 1693031755 APBHWUOWVUODJU-XMMPIXPASA-N 435.597 4.908 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1)OC 1694262478 CJLPUKGNPXEIKI-LJQANCHMSA-N 440.350 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1oc(CC)nc1C 1705502906 KRIMNIFGTKMKDR-KRWDZBQOSA-N 435.572 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1CCOc2ccccc21 1705506112 RCYPJJJEZHMPRA-LUBSMZHTSA-N 436.600 4.611 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1705521493 CVDRQBUTOQQLLP-QFIPXVFZSA-N 438.641 4.935 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)c1nccs1 1705528902 WMZBNSLKDLINHI-OAHLLOKOSA-N 444.402 4.817 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(=C)CC1 1705684573 VPQQSBPKJSQHNQ-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCC1CC1 1705697257 KOEPFDFRMKOKRN-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1705738471 YUDGAMZQJURCBP-JOCHJYFZSA-N 438.597 4.571 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@@H]2CSC)nnc1C1(c2ccccc2)CCC1 1705740670 SDTKBVNEDNHLDE-OAQYLSRUSA-N 426.630 4.673 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC[C@H]2CCCO2)CC1 1705777572 GPSCWBKFOQEBIP-LJQANCHMSA-N 448.970 4.726 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(CCc3ccccc3)C2)CC1 1705782750 HDZBXTPITSHJGQ-XMMPIXPASA-N 435.660 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1705787768 CZKZZTIWPIEIHV-NRFANRHFSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCOCC1 1705788469 BWRJQLMYGIEGTF-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCSCC(C)C 1705836091 FJABGZZDVBKRRY-UHFFFAOYSA-N 427.387 4.858 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1csc(C)c1 1705878787 ZZDKHJLZFUTKEM-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1Cl 1705889837 HEFFVSUEZAFZRP-SFHVURJKSA-N 445.995 4.868 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1705947342 IMQALUYOLDXBBH-PMACEKPBSA-N 444.620 4.570 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCc1cccs1 1706189528 FBJGCCVEHBVTGJ-WOJBJXKFSA-N 427.618 4.631 30 10 IJEE CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1708307106 BMUNVHJVHGMDIX-QFIPXVFZSA-N 430.556 4.534 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1 1710629648 ATYXNXPYMSDYCX-UHFFFAOYSA-N 448.571 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1=CCCCC1 1722392230 IQBRAZUDLQNXET-UHFFFAOYSA-N 432.568 4.706 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(C)oc2ccccc12 1722406219 VRIZALDYHIYZMD-UHFFFAOYSA-N 438.329 4.598 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)[C@H]1C 1722456548 WRNNGNIPBPIUFA-ZIAGYGMSSA-N 441.453 4.949 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCSC(F)(F)F 1722467339 RCCJRUNFYOTIHO-IFXJQAMLSA-N 442.482 4.802 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccco1)c1ccccc1 1722597944 XXCWZBSJMMZZOI-PZJWPPBQSA-N 433.556 4.551 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)=C(Br)C1 1722625503 SJRUZCXYAYSZTJ-UHFFFAOYSA-N 445.405 4.979 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722632557 YMUSRGZIRAZMJT-SIKLNZKXSA-N 434.588 4.799 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCCOC2)C1)C(C)C 1722666821 SAPJGCGIAIPMJQ-ATIYNZHBSA-N 443.680 4.572 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1Cc1ccsc1Br 1723773604 GRGSWJBNGVGIAQ-GFCCVEGCSA-N 434.338 4.695 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cccc(C(F)(F)F)n1 1740541584 CKJFGIJMPLYNLF-CYBMUJFWSA-N 449.864 4.527 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)C[C@H]1CCCO1 1740565757 GPFJFNVJSMGFKK-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740571027 VOZKMCGJTWJEHX-HXUWFJFHSA-N 440.588 4.550 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1740666092 CCCPTBIIODUPOP-FGZHOGPDSA-N 444.627 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccccc1CN1CCCCC1 1740770786 GMNZESPJAKGXNV-UHFFFAOYSA-N 430.600 4.777 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1740783733 RZVKCIMMYZNAAI-FQEVSTJZSA-N 432.996 4.689 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCSC2)CC1 1740830025 SIEKYKXQUXDQCM-OALUTQOASA-N 447.649 4.650 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC(F)(F)CO1)C1CC1 1740906229 MQWIDAJYTQDHJR-RDTXWAMCSA-N 438.906 4.651 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1740919093 UVRKUWTVRXNGTC-UHFFFAOYSA-N 437.588 4.748 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1ccccn1 1740921633 ZTWNIWAILUXJLC-OAQYLSRUSA-N 449.574 4.877 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC(C(=O)c3cccs3)CC2)cc1 1740967600 LIWQCRWSUNAQQU-UHFFFAOYSA-N 436.581 4.614 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)CC(C)(C)C1 1740999036 WOILPJCTTZZRKY-KRWDZBQOSA-N 430.618 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1748680031 NBXTZRAKEHAWNP-ZCVJKFOLSA-N 433.600 4.580 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1749023195 QANDKVOTXDDDFA-QZTJIDSGSA-N 448.633 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CSCCS1 1749147533 KRCBFASPMXVZNC-SFHVURJKSA-N 440.642 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1CCOC1 1749148754 FFUDGZPJJRMIPW-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CC1(CN2CCOCC2)CCCCC1 1749163609 OZOHMVWMUKLWPA-UHFFFAOYSA-N 443.680 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(n1)CCCC2 1749171272 UBCLGTAIPBCHCQ-FYYLOGMGSA-N 437.632 4.921 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc(C)s1 1749193709 MOUQRNIKUGEAOD-UHFFFAOYSA-N 445.633 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749355453 JLDBGRJEHGLVGT-HOOSLVGPSA-N 445.007 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1749360276 XHVKUZRVVOSPFD-XMMPIXPASA-N 441.551 4.787 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@H]2CCCO2)CC1 1749418154 YSATXXPYLFFEKK-HXUWFJFHSA-N 430.980 4.969 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760131245 QHGZCJSJYMEHEP-OALUTQOASA-N 429.559 4.757 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(F)(F)C1 1760275063 YWCXAFMVKPUSII-UHFFFAOYSA-N 445.564 4.589 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1760275368 WIDBMXMISPNOKI-ZWOKBUDYSA-N 431.005 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CC)C1 1760317438 GASGCCLAPBQLLO-QRFRQXIXSA-N 445.405 4.925 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1760359211 IRQYDULYNHWREU-QFIPXVFZSA-N 437.613 4.604 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@H]1C)c1ccccc1 1760362300 GQYUYHCEGFOZJM-GDBMZVCRSA-N 426.362 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760409577 ZQTXGCKBIISVSX-SFHVURJKSA-N 445.007 4.975 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCSCC1)C(C)C 1760488334 RZMJAKNHUSLXEX-JOCHJYFZSA-N 425.646 4.505 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCC2)s1 1761772049 DCYHJNOWNKFIRD-SFHVURJKSA-N 434.613 4.555 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccc(C)s2)C1 1766078050 HRXXYKHUCDWVBZ-FQEVSTJZSA-N 434.613 4.555 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2O[C@@H](CC)C(C)=O)SC1=Nc1ccc(O)cc1 1772762957 KWVBJTKPAHIEAQ-SKMSBSMTSA-N 436.533 4.929 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)Cc4cccs4)cc3)CC2)c1 1860705765 HFJHYXUJWFJWSC-UHFFFAOYSA-N 430.529 4.788 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1cc(CC)n(Cc2ccccc2)n1 1860996348 WRTDHSJVPJMION-NRFANRHFSA-N 440.632 4.869 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1C 1862401077 STSBZUXGVCEJEH-XMMPIXPASA-N 443.499 4.530 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Br)cc1 1862409879 VVOSZPVZMDEFJA-LJQANCHMSA-N 444.325 4.754 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430729 QNGKOXLKZGNNIU-HXUWFJFHSA-N 439.920 4.928 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1862431181 BAHTVZSHJANTQC-LJQANCHMSA-N 433.335 4.523 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1862447034 GVSQFKLOPNGPTA-IBGZPJMESA-N 427.884 4.663 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862534633 UMIGUEZSOJJQRY-NRFANRHFSA-N 448.500 4.997 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)c1 1862604447 DOJYJXNPXNRGNQ-VWQFJMCTSA-N 447.531 4.923 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(OC)cc1 1862628062 UUTVCQGKIQFBJC-JOCHJYFZSA-N 437.492 4.583 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)cc2)cc1F 1862636564 JOJSXEXFKTZJCV-NRFANRHFSA-N 437.492 4.983 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862641014 UZIVCGMITYXMBS-LHSJRXKWSA-N 427.472 4.610 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862679866 OXYMBIXSCTZCDC-HSZRJFAPSA-N 436.527 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1)c1ccc2ccccc2c1 1862713704 UPKZMZBBCSVMOI-DEOSSOPVSA-N 437.499 4.705 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2cccc3c2CCCC3)C1=O 1862934904 QONDYFQMSHVTAE-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1863146388 VJXTXVPJTLPDNQ-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCC2=CCCCC2)C1=O 1863246214 VIOITUXSDIKBLS-UHFFFAOYSA-N 442.475 4.549 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(Cl)c(Cl)c1 1864232375 SMFAPARENDOCKF-QGZVFWFLSA-N 449.382 4.549 30 10 IJEE CC(C)(NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866774086 ZHKRRWXNNAAGDC-HSZRJFAPSA-N 429.495 4.753 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(-c3cccnc3)n2)c1 1868553306 MYHTVEZHRBRMPA-UHFFFAOYSA-N 435.447 4.756 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccccc2C(C)C)cc1 1870111600 VHSKDXGDZOBFIW-UHFFFAOYSA-N 431.540 4.682 30 10 IJEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCCN2CCCC2)C3)C1=O 1871355124 SWRRVFFSVNMNBP-JLPGSUDCSA-N 448.563 4.648 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871369942 BAYCXBIGVGTBEM-XKZIYDEJSA-N 434.419 4.743 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC(C)=O)c4)c3C)C2=O)cc1 1871390470 YDDWPAMFAOHNEN-QRVIBDJDSA-N 444.439 4.764 30 10 IJEE CCCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871391188 OSPCLPKMBQRNDX-LSCVHKIXSA-N 445.265 4.637 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871425594 HBZCKZWZHUGVFM-PXNCGERRSA-N 433.485 4.973 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(O)cc3)cc(C)c2C1=O 1871442878 NJTFPMUBGGKTAV-QRVIBDJDSA-N 445.471 4.733 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619215 CQPPBFDYTRWRNJ-UHFFFAOYSA-N 443.596 4.548 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872078130 HRMLVXYBPBHUTM-JOCHJYFZSA-N 432.561 4.618 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872365855 BYUZAWKGZGICKM-OAQYLSRUSA-N 436.524 4.503 30 10 IJEE CC(C)N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872759772 ZFUCIUHZCZYDPT-SFTDATJTSA-N 429.545 4.910 30 10 IJEE N#C[C@@H](C(=O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872766950 QSHIHJKEHHIZQI-HNNXBMFYSA-N 434.908 4.509 30 10 IJEE Cc1ccccc1OCCCC(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773297 MRYUJPZCNURCIK-SFHVURJKSA-N 434.517 4.925 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2cccc(Cl)c2Cl)C1=O 1873126519 DHABREAFJITJAU-UHFFFAOYSA-N 440.415 4.585 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OC(C)C)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330494 JRDDBNDPQYJEND-UHFFFAOYSA-N 432.520 4.555 30 10 IJEE CC(C)c1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCCCO)cc1 1874264240 NJHDKELYKOQBPV-ZVHZXABRSA-N 444.988 4.991 30 10 IJEE Cc1ccsc1/C=N/n1c(CC2CCCCC2)nnc1SCC(=O)OCC(C)C 1874408497 AABDAOFVHILOKE-WSDLNYQXSA-N 434.631 4.944 30 10 IJEE Cc1ccsc1/C=N/n1c(SCc2nc(O)c3ccccc3n2)nnc1C(C)(C)C 1874485209 JKTCAWUNCYEYFR-SSDVNMTOSA-N 438.582 4.769 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c(OC)c1 1874512059 KAMRRJXOAKGAEV-WSDLNYQXSA-N 441.513 4.501 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)NCc1ccco1 1874613282 MHOLWERLWIWNKE-CSKARUKUSA-N 439.895 4.923 30 10 IJEE CCCN(CCC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1874616009 GWSLPYLIPAUNMM-JLHYYAGUSA-N 439.552 4.936 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl 1874621041 HBUQFMFSOPICKN-VMPITWQZSA-N 443.927 4.992 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1 1875138060 GIFBAECEZYLCRH-YCRREMRBSA-N 432.432 4.894 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(F)c(F)c1 1875152491 NPSGZRRRGUIBBI-FARCUNLSSA-N 438.382 4.817 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](c4c[nH]c5ccccc45)C3)n[nH]2)c1C 1890601607 ZCHIOZKFHLHQNG-GOSISDBHSA-N 428.540 4.577 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H](C)Oc3ccccc3Cl)cc21 1890683049 DTNYVIAJNDMRJZ-OAHLLOKOSA-N 428.916 4.684 30 10 IJEE N#CC1(c2ccc(C(=O)N[C@H]3CCc4nc5ncc(-c6ccncc6)cc5cc4C3)cc2)CC1 1890877065 ILXRGRMEEBVXTG-DEOSSOPVSA-N 445.526 4.534 30 10 IJEE N#Cc1cc(F)c(N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1Br 1948161295 DJDRXVMMFIRPMU-MRXNPFEDSA-N 432.293 4.673 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2038525367 OIPQUGVYJLIWBX-BKMJKUGQSA-N 446.632 4.668 30 10 IJEE C=CCC1([C@@H](O)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047979363 MUJBREMINAAKAM-INIZCTEOSA-N 430.770 4.819 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C1 2106023878 MAFQBYNUVJGWKE-OCCSQVGLSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNc1cc(Br)cc(F)c1C#N 2107449912 MMIYGFAZHMILJB-NSHDSACASA-N 434.256 4.516 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(c2cc(Br)cc(F)c2C#N)C1 2118156302 JNEQTPMULOFDMA-QWHCGFSZSA-N 426.330 4.542 30 10 IJEE CC(C)[C@H]1[C@H](Nc2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2126363417 KKISDZOPYMNSJZ-WBVHZDCISA-N 426.330 4.906 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1Br 2145269796 GZAYJSYCOIMKIT-MOPGFXCFSA-N 428.349 4.951 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1ccsc1S(C)(=O)=O 2150480435 GUNGCMSIRBNSSH-OAHLLOKOSA-N 426.947 4.811 30 10 IJEE C=CCn1ncc(Nc2cc(NC(=O)OC(C)(C)C)ccc2C)c(Br)c1=O 2162420470 VRQGOKYYGGBFFG-UHFFFAOYSA-N 435.322 4.591 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180964401 XWSISDVPKNBDLT-XJKSGUPXSA-N 436.350 4.590 30 10 IJEE C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Br 2181047047 MXPFWFIHXWUMAX-UONOGXRCSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1C#N)[C@H]1CC=CCC1 2196084885 HVYPSOFNESCWIO-SUMWQHHRSA-N 434.334 4.509 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OC)c1Br 2207358390 WUZMHGNCJHMWHW-APWZRJJASA-N 439.394 4.805 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2224276712 KIZRPXJXTDYIFB-YOEHRIQHSA-N 429.403 4.737 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1cc(C(F)(F)F)ccc1Br 2228048639 ZBYKLNPQWJXJMK-GOSISDBHSA-N 429.232 4.843 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)cc2OC)C1 2231179098 ZFAWQKKZCAPMFQ-QGZVFWFLSA-N 425.367 4.722 30 10 IJEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2231928540 HGNXZRWVTTZTLI-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C#Cc1ccccc1 2237409335 GILCQLMSZUFHQU-IBGZPJMESA-N 428.326 4.506 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 2296132663 BVHHMHSSOLMHJK-BVZFJXPGSA-N 439.511 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@@H](O)C#Cc3cccc(Br)c3)cc21 2296219740 REOHNXPPFMRRJA-FQEVSTJZSA-N 428.326 4.832 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@@H](O)C#Cc1cccc(Br)c1 2296225498 VVYHPWPMCPEYSP-SIKLNZKXSA-N 430.342 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@@H](N)C#Cc2cccc(Br)c2)CC1 2296227042 LJSTWZKCOWHHMR-SFHVURJKSA-N 439.369 4.505 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@]2(C(=O)C#Cc2ccc(Br)cc2)C1 2296275298 YVASOTIWIXSWKV-VGSWGCGISA-N 432.358 4.797 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2296275951 CEBUSSRHZWHOQT-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(CN(C)C(=O)OC(C)(C)C)o1 2296279429 OSVYFMRXFUOCPI-GOSISDBHSA-N 433.346 4.721 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2296286933 QDGNCXAFLXDGLT-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2296287056 RYAYPRHBNNELBJ-OXQOHEQNSA-N 435.406 4.672 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2296297523 ZZHNIRINESWZCL-HKUYNNGSSA-N 433.390 4.568 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2ccccc2C(F)(F)F)c1 2318571380 JIGYPTDLCZSVBA-UHFFFAOYSA-N 434.443 4.566 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2-c2cccs2)c1OCc1ccccc1F 2321946972 FRYFKTARWGZCGX-UHFFFAOYSA-N 440.525 4.904 30 10 IJEE CCOCCCN1COc2c(cc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)C1 2322391472 JWMUONQQOTUKRQ-UHFFFAOYSA-N 432.520 4.681 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nccs1 2322474711 BCZCFXVEZBRTRZ-UHFFFAOYSA-N 443.868 4.618 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c(OC)c1 2322863967 FBLFFFYWMJBURD-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2323126269 NWPKYYDFBPJZEU-UHFFFAOYSA-N 436.485 4.974 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC 2323230435 WWWOTMSVGBFKAE-UHFFFAOYSA-N 431.479 4.897 30 10 IJEE Oc1ccc2cc(Br)ccc2c1C=Nn1c(S)nnc1Cc1cccs1 2323556848 XYSYEYXBOWCGSA-UHFFFAOYSA-N 445.367 4.723 30 10 IJEE CCCNC(=O)COc1c(OC)cc(C=CC(=O)c2cccc3ccccc23)cc1OC 2324129735 DLKYRRVAHZXZRZ-UHFFFAOYSA-N 433.504 4.658 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2324982670 WNCDESZVWPEFNU-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE COc1ccccc1CNC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325271946 LTKHHGCBHXSZEM-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1OC 2325702439 ZDTDXWJMKDKLLY-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C)cc(C)c3C2=O)c1 2325713955 QVBZKAKRALPLFM-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc([N+](=O)[O-])cc1 2326846225 YUCMVNKTPBWJCZ-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2N=Cc2ccc(CC)cc2)CC1 2328145281 HSWXUXDBFDMZCC-UHFFFAOYSA-N 427.618 4.764 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)c1 2328640954 HYVQTXHNUUFVLW-UHFFFAOYSA-N 431.565 4.585 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2N=Cc2ccc(C(F)(F)F)cc2)cc1C 2328977558 FMRGAQNYRPMIBY-UHFFFAOYSA-N 448.514 4.666 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)Nc4ccccc4O)ccc3C2=O)c2ccccc21 2329869121 LDNDFCZMNGMRLH-UHFFFAOYSA-N 440.455 4.518 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)C(F)(F)F 2330644444 CFNKAXSHONEFHZ-UHFFFAOYSA-N 435.354 4.696 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccncc2)c(C)c1 2330705404 YEHWUYBDBSRUKC-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cccc(OCCC)c1 2331348728 PXIYHXZWIPMEPM-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)(C)C)cc1 2331413902 VMZMBVRRMPGDSI-GOSISDBHSA-N 435.597 4.736 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cc(C)ccc1O 2331491420 FMUPBZWYDFEPTK-UHFFFAOYSA-N 449.580 4.735 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCCCO)cc1OCC 2331660324 PLJBWEIZOJYYDO-UHFFFAOYSA-N 434.606 4.555 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2cccc(F)c2Br)OC1(C)C 2339446219 LAFNWNHNZYRNIE-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339541752 RFYNBQOGUGIWEV-ARKBFRDHSA-N 433.405 4.685 30 10 IJEE CCN(CCN(CC)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339590340 LSEMPKIUVJOTDD-UHFFFAOYSA-N 445.413 4.810 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339606738 VHCDQMFKBSFTRL-LJQANCHMSA-N 444.381 4.798 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)CC1 2340133963 PRECVBPROKRQAU-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC#CCN(C[C@H](Cc1c(F)cccc1Br)NCCC)C(=O)OC(C)(C)C 2363124028 HEKMOOGWXBKRDK-INIZCTEOSA-N 441.385 4.759 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)CCc2ccc(OC)cc2Br)C1 2364847507 VVOFACNYHLMHIB-GOSISDBHSA-N 439.394 4.579 30 10 IJEE CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17098071 DZXNRDBBESQKPT-JOCHJYFZSA-N 432.549 4.991 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)S/C(=C/c2ccc(OC)cc2OC)C1=O 36258141 QTMCAOTTYFZNNZ-XDHOZWIPSA-N 425.506 4.556 30 10 IJEE COc1cc(CN2C(=O)/C(=N\O)c3cc(Br)ccc32)ccc1OCCC(C)C 39854075 WQCJPNCCQRAKBP-ATJXCDBQSA-N 447.329 4.608 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F 40077118 SCGQAFXLKMXUBX-GOSISDBHSA-N 432.289 4.967 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(OCCC)c1 40099161 JXOATRIJGVOJFV-IBGZPJMESA-N 428.554 4.927 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(Cc1ccncc1)CO2 41650692 SGROFJYCPLMKSN-MSXFZWOLSA-N 437.499 4.850 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCC)cc2)S/C1=N\c1ccc(Cl)cc1 59108708 SBNRGOKAJMLYKU-IPQBESIJSA-N 443.956 4.885 30 10 IJEE COC(=O)c1c(NC(=O)[C@@H]2CCCN(CCC#N)C2)sc(C)c1-c1ccc(C)c(C)c1 62039410 MNZQXOXLRTZGFO-LJQANCHMSA-N 439.581 4.691 30 10 IJEE CCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cc(OC)ccc4OC)CC3)c2c1 64473984 WYEQWMRLWQKSCB-UHFFFAOYSA-N 444.535 4.541 30 10 IJEE C=CCOc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 64656658 RZOYAHIXVBQLLG-SFHVURJKSA-N 425.531 4.620 30 10 IJEE CC(=O)Oc1c(Br)cc(/C=N\CCc2ccccc2)cc1Br 104029271 HFSVZKKFDKYGSD-JAIQZWGSSA-N 425.120 4.799 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(OC)cc2)cc1 169921344 OXFIKBPFKVUSTD-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2cccs2)cc1 169921365 RCMVEJLVOLAYGB-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1cccc(C)c1 169941736 NMHGDXHFLTVRPK-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1ccncc1 169947640 QFHCEDJPAPRLDC-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(O)cc2)cc1 169959335 QYYICZNZYILJSA-JOCHJYFZSA-N 444.443 4.646 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccncc1 170019000 IGMCOJDVUSPDOM-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C(=O)O)cc3)[C@@H]2c2ccccc2)ccc1F 170051235 WMODBGJSNZJJKW-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170095023 JBNJCWGYNYEQON-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccccc1OC 170124972 XORDSYHFIWXFBC-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 170134999 RIBDSAHIVOTIJU-XMMPIXPASA-N 436.467 4.719 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1 170162330 YITWZUMSUHWKPR-SFHVURJKSA-N 429.881 4.782 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)ccc1OC(C)C 170178088 DSZUQSOTKXGMCT-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccncc2)c1 170205051 PJROQDNPCQDILV-QHCPKHFHSA-N 444.487 4.667 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(Cl)c1 170220065 PSLOONKMNTXOOX-OAQYLSRUSA-N 425.912 4.913 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1C 170230818 UTXMIEOGJVEYFL-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(F)cc2)cc1 170237961 KTPXWJXSWQWMOA-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C[C@H]1CCCO1 170315847 PFMXTKQNYFUOOI-TZIWHRDSSA-N 437.561 4.693 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1O 170322823 HVNXLYJBIUUSBY-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccncc1)c1cccs1 170358568 JISULHIODSSKOR-KRWDZBQOSA-N 441.306 4.689 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@H]1c1ccco1)c1ccccc1 170424509 ASNHXKPSSWFYBO-DEOSSOPVSA-N 442.515 4.523 30 10 IJEE N#CCOc1cccc(CNc2ccc(Br)c(I)c2)c1 312824929 TUANYMVNVOOLOW-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc(OC)c1OC 462001661 FQAKZGLKDYGPFL-NRFANRHFSA-N 438.572 4.621 30 10 IJEE N#Cc1ccc(CN(Cc2ccc(Br)cn2)c2ccc3nc(O)[nH]c3c2)cc1 464688672 RLBXCFLWZYCEFG-UHFFFAOYSA-N 434.297 4.504 30 10 IJEE Cc1ccc2nc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)[nH]c2c1 466774728 GEMNUHSUFRZJPW-UHFFFAOYSA-N 427.483 4.794 30 10 IJEE COc1ccc(-c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)nc2)cc1Cl 469902410 XHMAFIIDPKZIBR-JOCHJYFZSA-N 429.904 4.611 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)N1CCCC[C@@H]1C)C(C)C 489639225 FDXIEXOOACAKOK-UGKGYDQZSA-N 442.629 4.869 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503100579 CRQMZDZKKZVAHU-RCDICMHDSA-N 431.533 4.697 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 526490820 ZNOUYRXLWKJIKS-JOCHJYFZSA-N 427.416 4.532 30 10 IJEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526805704 OJSQEBYSHQSCBV-UUYOSTAYSA-N 425.514 4.672 30 10 IJEE Cc1cc(C#N)nc(Sc2nnc(COc3ccccc3Cl)n2-c2ccccc2)n1 580791214 XGCBAJSMXIEFSH-UHFFFAOYSA-N 434.912 4.621 30 10 IJEE Cc1nn(-c2ccccc2)c(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1C#N 611347933 SFRBUNQMGKQLAG-IBGZPJMESA-N 442.498 4.621 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 735349118 MHZSYGKDWMMKBL-UHFFFAOYSA-N 446.975 4.931 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCN(c4ccc(F)cc4F)C3)c2)s1 740049691 FUKZILRPFQIGCK-SFHVURJKSA-N 438.503 4.643 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)CCc3cc4ccccc4nc3O)n2)cc1 767440559 FSWSCTVABDKMIO-LJQANCHMSA-N 429.501 4.882 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/COc3ccc([N+](=O)[O-])cc3C2=O)cs1 788358529 IEDUZBUSCBNBQE-DHDCSXOGSA-N 435.461 4.703 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1C 799210857 DLIIIESGLPVEBN-GOSISDBHSA-N 445.466 4.607 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802575194 JQKXHUIFEYWUEY-UHFFFAOYSA-N 447.539 4.534 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1c(C)nn(C)c1C 802580906 AJEKLZRJZBXSMG-KRWDZBQOSA-N 428.968 4.634 30 10 IJEE CCCSc1nc2ccc(NC(=O)CSc3n[nH]c(NN=C(C)CC)n3)cc2s1 1084358896 YTCKPYGCXSRFLC-UHFFFAOYSA-N 449.631 4.845 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@]23CCCC[C@@H]2C3(F)F)c(C(=O)OCC)c1C 1124757958 YZSBKPNDLRGBKA-RNODOKPDSA-N 441.496 4.730 30 10 IJEE Cc1ccc(Sc2ncccc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(C)c1 1126112115 CPXKVJWMIHNEIN-JOCHJYFZSA-N 442.588 4.700 30 10 IJEE Cc1ccc(Sc2ncccc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(C)c1 1126112116 CPXKVJWMIHNEIN-QFIPXVFZSA-N 442.588 4.700 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1ccc(F)c(F)c1 1128248868 JKYOGWHGGQZFRD-LJQANCHMSA-N 432.268 4.960 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)cc21 1134356271 GLEZGEGNPBYSNR-FQEVSTJZSA-N 438.503 4.608 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c(Cl)c1 1134434759 BDRUBRNFENSKKI-UHFFFAOYSA-N 438.936 4.789 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)cc21 1134572786 UANZGBMLTNEUOP-NRFANRHFSA-N 439.357 4.760 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)C[C@H](C)C#N 1136270920 KCEFDEQVGYPVRB-CLOONOSVSA-N 445.563 4.868 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1 1166517747 FXQPHDRDJVLSDJ-FDDCHVKYSA-N 442.581 4.751 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(Cc3cccc(Cl)c3Br)cnc21 1188466159 RMGISMVBTSKCEV-UHFFFAOYSA-N 428.764 4.639 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2ccccc2)cc1Br 1197570821 FVXXACAGLXIUKT-KRWDZBQOSA-N 430.302 4.791 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCN(c2ccccc2F)C1 1206203551 SCZRSOCRWUXOLM-HNNXBMFYSA-N 448.336 4.801 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC)cc1C(F)(F)F)c1ccc(Br)cc1 1218792977 YIZLVZSQPAJSRB-HNNXBMFYSA-N 427.220 4.973 30 10 IJEE C=CCC1(NC(=O)Nc2c(C(=O)OCC)nc3c(Br)cccn23)CCCCC1 1220062591 FMNVDIZRYJAIBU-UHFFFAOYSA-N 449.349 4.674 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(OCCOC)c(Br)c1 1220300118 XIGCPHZZQBDMFP-KRWDZBQOSA-N 433.346 4.783 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCOC2(CCC2)C1 1228691450 RWDPTLFDVUYVHP-HNNXBMFYSA-N 425.342 4.635 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1cc(Cl)ccc1Oc1ccccc1CC 1229291836 KGQMDUJQIYHKFJ-UHFFFAOYSA-N 427.976 4.791 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1264077933 XDOKJPNOIZBMTN-UHFFFAOYSA-N 432.432 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286291910 WROSEVDXIVVEPZ-UXHICEINSA-N 449.599 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCCSC 1286518498 GBIIFSABRJAMLX-FDDCHVKYSA-N 428.602 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CC1CCC(F)(F)CC1 1286527642 GCGSZFDCBCOUKE-XMMPIXPASA-N 442.554 4.890 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC(F)(F)C1 1286621748 IKRCUOLSXKMVLH-UHFFFAOYSA-N 431.712 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286674128 MXOGNILUWURBMZ-LJQANCHMSA-N 449.565 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)SC 1286749453 SMVYWOQYXKQBJC-JXFKEZNVSA-N 442.610 4.796 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(N(C)C)CCCCC1 1286759171 LBKJSTFZCHSZGN-UHFFFAOYSA-N 432.616 4.793 30 10 IJEE CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(CC)CC)nc1 1293259503 FXLCEJPSYNJZDK-CVDCTZTESA-N 443.599 4.731 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1ccc(Br)cn1 1297274325 UJMHXPWQYZYYLG-LLVKDONJSA-N 429.236 4.919 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3N[C@@H](C)c3ccccc3)cc2C1=O 1297789739 CWVKOQCPXPJJES-KRWDZBQOSA-N 425.488 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 1300275604 XAZKAMCKNWLNJV-GJZGRUSLSA-N 441.988 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300318137 YWSMLFMDKJVYPD-HBMCJLEFSA-N 446.643 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(SCC)c1 1300520406 FRGOOSABQIVTMZ-UHFFFAOYSA-N 443.620 4.871 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1(CCOC)CCC1 1300816436 ODNBRRQEJMBATF-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(C)C)C1 1300889496 QSDDJERNYZULJF-IMSXRSKXSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccccc1OC 1300906367 OMODMSNYFVSYJO-QGZVFWFLSA-N 441.963 4.872 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1300969761 DCJQDRFDKKMRML-STZQEDGTSA-N 426.605 4.936 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2OCCC2(C)C)CC1 1301119584 OOBFRUUMHUVGPA-QFIPXVFZSA-N 440.588 4.570 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C 1301202475 KIFZEEQNVWEUSP-SFHVURJKSA-N 426.540 4.510 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301208065 NBQGTSJMTSAUKL-KXBFYZLASA-N 431.378 4.678 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1301238913 HJOSBRUTFHSJED-QZTJIDSGSA-N 447.649 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1CCO[C@H]1C(C)C 1301365445 PNNLEICBGGNBIK-XXBNENTESA-N 437.613 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC1(OC)CCCC1 1301379417 JJUGYEFBZQSWIS-UHFFFAOYSA-N 449.368 4.984 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1303066313 BEJZHRBCOVWICM-FHWLQOOXSA-N 441.542 4.917 30 10 IJEE C#CCN(Cc1nc(Br)c(Br)n1CC)[C@H]1CCc2ccccc21 1308634188 GCSRYUMBOVSQJT-HNNXBMFYSA-N 437.179 4.551 30 10 IJEE C[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 1312478447 HCFCVUPYFVXKKC-MHECFPHRSA-N 446.551 4.739 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OC 1354563154 ICSKOJPLPRZIJM-UZORRUGTSA-N 440.515 4.665 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1355497101 NFETVDWLZYJULR-KRWDZBQOSA-N 432.973 4.813 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 1358007749 XXSZAUVFDZRLEY-NVQXNPDNSA-N 434.536 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OC)C1 1359093533 OUXKGXFBUCFGLD-PUHATCMVSA-N 438.616 4.839 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359118084 ODLJUCSZIHNKSX-AWEZNQCLSA-N 445.976 4.666 30 10 IJEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CCC 1359148838 FGNMKOHOVKZUCJ-INIZCTEOSA-N 442.995 4.690 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccc(F)cc1 1359157913 XZPXYTRAHYDXLE-BLLLJJGKSA-N 438.841 4.830 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C)c2)CC1 1359169647 PIWLCVUFIGMRCP-NRFANRHFSA-N 437.588 4.863 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(N2CCCCC2=O)CC1)c1ccccc1 1359193350 CLUQYVKXKUKJNR-QFIPXVFZSA-N 435.616 4.743 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccccc1 1359229718 SAGIWGSGDROYOI-CEMLEFRQSA-N 426.605 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cc(COC(C)(C)C)on1 1359233238 WTIKROAVZJGNKV-UHFFFAOYSA-N 446.555 4.775 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@H](c1cccc(F)c1)N(C)C 1359263240 VRXLBBSXJDBTPT-NRFANRHFSA-N 425.577 4.852 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1Cc1c(F)cc(F)c(F)c1F 1359277021 ABTURUNFEKYQER-UHFFFAOYSA-N 434.437 4.978 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(OCC)CCCC2)C1 1359316396 NWDLPLZGQVTIGW-FQEVSTJZSA-N 430.980 4.729 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)CSc1ccccc1OC 1443716064 VIWDBPJYTWLLEJ-GDBMZVCRSA-N 443.009 4.576 30 10 IJEE C#C[C@@H](C)N(C)C(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1448668382 IFYCUBHKAWUQLG-WOJBJXKFSA-N 430.548 4.518 30 10 IJEE C=CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1458988786 AUNFENBNGIXHRO-RUZDIDTESA-N 430.548 4.897 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@](C)(O)c2ccc(F)cc2)cc1OCC 1461412229 PQRLIZBAKWJHBI-NRFANRHFSA-N 438.337 4.549 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(c2cccc(Cl)c2)CC1 1463589591 GHTPGCZEYODOOH-UHFFFAOYSA-N 439.762 4.542 30 10 IJEE N#CCCN(C(=O)c1cccc(Oc2ccc(Cl)cn2)c1)c1ccc2c(c1)OCCO2 1464801480 DIETWKYQOFEBOJ-UHFFFAOYSA-N 435.867 4.859 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1 1464801560 BWTWMWWKLRTGMW-HXUWFJFHSA-N 432.307 4.832 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CC(Cc4cccc(OC(F)(F)F)c4)C3)cc21 1467381770 WYRDDYMCVOJINQ-UHFFFAOYSA-N 430.430 4.827 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 1468454345 IIQAOGKEUVLIDX-FXAWDEMLSA-N 435.406 4.931 30 10 IJEE C#C[C@@H](NC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(Br)cc1 1470662589 GNJOCKRCFTYDLK-IRLDBZIGSA-N 434.337 4.740 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](CCC)C1)c1ccc(Cl)cc1F 1470665786 JHHGNZGPPCTEKO-OFNKIYASSA-N 427.951 4.850 30 10 IJEE C#C[C@H](NC(=O)NCCc1c[nH]c2c(Cl)cccc12)c1ccc(Br)cc1 1478896972 SZSBGBJWYXCFBG-SFHVURJKSA-N 430.733 4.800 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](c1cccnc1)C(C)C 1498882125 CZGGKUSXZMHJHQ-DEOSSOPVSA-N 426.568 4.841 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(C(C)C)CC1 1507661697 FADBXLGATBPVTQ-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CC1(CCOC)CCCC1 1507701157 XYJMOZRGFKADAO-UHFFFAOYSA-N 447.558 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1507803705 COVIXOUJKHQRIJ-JQVVWYNYSA-N 446.542 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1C 1507816807 OGISMPNXQMSWBK-VQTJNVASSA-N 448.615 4.904 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@H]1C 1507837959 YAQTVWQUWSPMID-ZWKOTPCHSA-N 448.995 4.668 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC(C)(C)C)CC1 1507839502 SNWRXYKNYWHJFA-UHFFFAOYSA-N 432.996 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(F)F)CC1 1507919232 MOZPCUKGLKEMLR-UHFFFAOYSA-N 449.615 4.868 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)[C@@H]1C 1507953580 KTXBHOSPPMXYOP-KSZLIROESA-N 435.638 4.647 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)c1c(C)noc1C)C1CC1 1507990082 GRPHABHPYDUWCK-HNNXBMFYSA-N 437.544 4.526 30 10 IJEE CCc1cnc(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(C#N)CC2)s1 1513719630 HCRGKEMOTLFCRI-UHFFFAOYSA-N 438.626 4.686 30 10 IJEE C=C(C)[C@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)c1ccc(F)c(F)c1 1523232761 OQRBYYUIEYABLV-KUHUBIRLSA-N 435.268 4.587 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC)CC2CCC2)c1 1523947129 GRULHODEDHDESM-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)c1 1525194254 DNSIPHMZWYLCLW-UHFFFAOYSA-N 428.208 4.538 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2oc3c(C)cc(Br)cc3c2C)cc1 1527701551 YKWVAPYHVWYVHA-UHFFFAOYSA-N 427.298 4.980 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)c1 1529637945 KBCBROFHAICNAP-UHFFFAOYSA-N 427.529 4.754 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ncc(C)cc1OC)c1ccc2c(c1)OCO2 1529765005 UOZQROOEPNCRIB-UHFFFAOYSA-N 432.476 4.539 30 10 IJEE C=C[C@@H](CC)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1531672188 LWNTXGZZBPEYER-QRFRQXIXSA-N 434.552 4.646 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](OCCC)CC1 1539115882 HZRNEFMJFDIRTD-OAQYLSRUSA-N 433.556 4.799 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1539616769 RXHQNASCKCZHRV-AUSIDOKSSA-N 442.579 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CCCC 1539618843 BADMSIWNGSZVBI-NZQKXSOJSA-N 434.588 4.943 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 1539846744 WALYZMVDFAXRHN-UHFFFAOYSA-N 437.975 4.909 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@@H](COC)C1 1539952566 GNMNTUAFQGHUAY-HXUWFJFHSA-N 434.588 4.944 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@H](C)C1 1539963053 JSADVKAWNCVWFB-VAMGGRTRSA-N 431.625 4.841 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539974171 MAFOIAACIDAGCX-QFIPXVFZSA-N 434.588 4.769 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(c2nccs2)CC1 1539985562 LDSJVRQLHSKUEE-UHFFFAOYSA-N 439.585 4.769 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCN1CC)C1CC1 1540095961 ZRWPTCMVANNFLH-WIYYLYMNSA-N 427.568 4.586 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)C(F)(F)F)cc1 1540107054 QHHVXIMXWSOSGI-MGPUTAFESA-N 435.467 4.883 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn2ccc(C)cc2n1 1540158148 AQXRTMDBBRQBHR-UHFFFAOYSA-N 448.958 4.790 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1540186284 BHTKJCGEYSGSMY-IPJJNNNSSA-N 428.577 4.551 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1540252767 VDNYEKHHJYYWQP-KBMIEXCESA-N 444.620 4.690 30 10 IJEE C#CCN(C(=O)c1nc(Cl)sc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1543686232 WKHWDPUTMBXRDY-LLVKDONJSA-N 446.153 4.812 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H]2CCCCC2(F)F)nnc1-c1ccc(Cl)cc1 1544323230 QBRFGIROEJJFPU-OAHLLOKOSA-N 440.947 4.818 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C(F)(F)F)c(O)n1 1546332602 OHTRPNRFYPOZPY-UHFFFAOYSA-N 427.382 4.817 30 10 IJEE C=CCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1556274414 LRWNLAWDWKQRNJ-SANMLTNESA-N 440.543 4.781 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C 1556859369 FHRHMIPCBYXJQD-MRXNPFEDSA-N 439.343 4.809 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1562262956 FDTSERLDPABVHB-IYARVYRRSA-N 444.576 4.798 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 1562440273 BZLNHRVILUHREA-LJQANCHMSA-N 433.886 4.589 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 1567263947 MZXPUKPHRZJGMP-JPYJTQIMSA-N 448.563 4.600 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](OCC)C1(C)C 1567637315 NPNLBOKNDAQWIC-NBGIEHNGSA-N 446.588 4.621 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC)c1ccc(Cl)cc1F 1583578554 IPDRLDHOTBETOO-LJQANCHMSA-N 442.947 4.649 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1584239715 VEYUPKFFFKDYKJ-SQJMNOBHSA-N 426.557 4.751 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 1586031984 UVEIHZISTXJQGS-PLTNMMHCSA-N 444.553 4.501 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CCCC1 1586371337 BTANLAYDQMVDDY-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1587718379 DUYWSHYSPAKQBZ-IYBDPMFKSA-N 433.419 4.841 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@@H](C)C1 1588104918 CZAXLLNIXQQEQE-SJLPKXTDSA-N 425.374 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)SC 1588185261 DQZHXLVSPUIEAY-FQEVSTJZSA-N 431.609 4.567 30 10 IJEE CCOC(=O)c1cc(COC)cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 1588246500 GLWNSMBMSXSDOL-UHFFFAOYSA-N 444.487 4.713 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1588459212 ONRQEGMMOLMAHY-BSDSXHPESA-N 426.527 4.950 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC(F)(F)C1 1588593555 BKOJSYPQKQRPSX-DLBZAZTESA-N 448.583 4.653 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1588976033 PUSRYMRFLFHQIQ-BAGYTPMASA-N 426.630 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C)c(C)s1 1589177221 HDDYEANVCMSPQD-OAQYLSRUSA-N 429.952 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1589582003 YDKSYDBSKKXRJB-LZJOCLMNSA-N 446.020 4.801 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1593611114 MMDHNZIFMGWDIP-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1593825956 GZIOJRFKIKDGJH-JCGIZDLHSA-N 446.979 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@@H]2OC)CC1 1594218821 UMPWTTNRBJAHET-XLIONFOSSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1594504497 UYZYLMOFSIPLFX-UHFFFAOYSA-N 440.592 4.704 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1594651644 OLTRQJGFKFESDA-UHFFFAOYSA-N 434.588 4.639 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2c(ccnc2O)C1 1594680474 SKFQDBHPFPTGII-MRXNPFEDSA-N 439.947 4.701 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CCC)C1 1594793474 OLLHPLNHWZCWRY-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(C)cc(C)cc1C 1595222831 LTEUVGSFFSMBLG-UHFFFAOYSA-N 426.568 4.669 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1csc(CC)n1 1595350647 NKSNSEQZIOTUDG-UHFFFAOYSA-N 435.553 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 1595675117 YLJRWASTQRYMCU-ZVDOUQERSA-N 443.661 4.502 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCCN(C2CCCC2)CC1 1595889888 BERFJXMGZHKYGR-UHFFFAOYSA-N 439.673 4.551 30 10 IJEE C#CCN(CC(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1)C(=O)OC(C)(C)C 1611407148 YOAFFQOEPANBSR-UHFFFAOYSA-N 438.915 4.692 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CCN(C)C1CCCC1 1611742529 GAISFWQFTGXDSB-MSOLQXFVSA-N 445.011 4.684 30 10 IJEE CCO[C@H](CCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C 1616095392 DNMDQCKZSXDDGZ-HSZRJFAPSA-N 437.588 4.526 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 1617900687 FAYRCOBTIVDLSW-BKMJKUGQSA-N 426.560 4.896 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1ccccc1 1618590089 UMRUFDAUXYEPPK-GDLZYMKVSA-N 426.929 4.651 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1618972189 FBJNLODWXGAHGY-TXPKVOOTSA-N 433.984 4.728 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cc(N2CCOCC2)ccc1Br 1621337362 DWHSGARBJOAYDJ-UHFFFAOYSA-N 435.749 4.563 30 10 IJEE CC(C)(C)c1cc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(O)c(C(C)(C)C)c1 1626707391 AJVWWFISBAHAAE-UHFFFAOYSA-N 434.584 4.653 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 1627263941 DJVXJHSNTYFULE-VWLOTQADSA-N 429.520 4.684 30 10 IJEE CC[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)NCc1cccs1 1627482678 AKWXXZBPBHYZGA-NRFANRHFSA-N 449.601 4.737 30 10 IJEE C=CCn1cc2ccc(NC(=O)Nc3ccc(N4CCOC(C)(C)C4)cc3OCC)cc2n1 1627664435 OFVYVIMROIFTLE-UHFFFAOYSA-N 449.555 4.880 30 10 IJEE C=CCONC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1627707699 UEPKYCVJAVCQRZ-UHFFFAOYSA-N 428.488 4.573 30 10 IJEE C=CCC[C@H](NC(=O)NCCCNC(=O)c1cccc(Br)c1)c1ccccc1 1630798591 ZRDPOUIJEGIQIJ-FQEVSTJZSA-N 444.373 4.576 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC)[C@H]1C[C@H](OCC)C12CCCC2 1633954402 MFJPEASADWNCEY-FHWLQOOXSA-N 443.028 4.999 30 10 IJEE C=CC1(CC(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)CN(C(=O)OC(C)(C)C)C1 1634834596 KWCPMXAZLKROHE-OAHLLOKOSA-N 441.355 4.746 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1635020045 QJMFCNPFCRCLJQ-FQEVSTJZSA-N 446.378 4.929 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2O)n1 1638357066 CSGZAIVNXJWFFY-UHFFFAOYSA-N 426.451 4.626 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1639136730 GTQFNBZYAPKZKO-HDICACEKSA-N 434.540 4.772 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@H]2CC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640556470 WOFLUZSMDZVAFY-JKSUJKDBSA-N 445.654 4.652 30 10 IJEE COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2ccc(C#N)c(C)c2)cc1 1644029205 GDLMGBSLXULDJJ-UHFFFAOYSA-N 431.517 4.858 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nc2ccccc2c1=O 1651611589 QXZQFWQWNBIRPY-GOSISDBHSA-N 446.359 4.787 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 1652928737 PHRNBQCMASAUEJ-NRFANRHFSA-N 434.584 4.772 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(F)ccc2C)c1 1653370622 HMGRLBPTQGYWLM-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE C#CCNC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1CC=C 1656002194 KGXMFABQOCASHL-RDJZCZTQSA-N 442.654 4.574 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCCn1ccc2cc(Cl)ccc21 1656154731 UUCJFAWWPXJMLZ-UHFFFAOYSA-N 430.021 4.893 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)Cc1cc(Br)cc(Br)c1O 1659167273 MLCZGRHLBGMYTG-UHFFFAOYSA-N 436.147 4.977 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc3nc(Cl)ncc3s2)c1 1661950918 BLKRCBDYEOLQEI-UHFFFAOYSA-N 439.949 4.722 30 10 IJEE CSCc1cc(F)ccc1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1665660431 IAPDOUWHXKJMDF-UHFFFAOYSA-N 426.542 4.929 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)cc1OC 1665957191 QPVKLQQEUKKLPD-GAJHUEQPSA-N 436.980 4.793 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1ccc(Cl)cc1F 1666329123 TWZSNFVUXFMSEY-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 1668996589 PTHZCDNSKLESOV-HXUWFJFHSA-N 440.515 4.874 30 10 IJEE O=C(Nc1ccc(OC(F)F)nc1)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1671196913 GSWGMKAPHGUHTD-LBPRGKRZSA-N 427.276 4.710 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12 1671770344 BUVZZLZJDUYEPG-HXUWFJFHSA-N 440.952 4.598 30 10 IJEE COc1ccc(C)cc1CN1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1672201690 DVIRDZMMMIDYQP-UHFFFAOYSA-N 426.586 4.584 30 10 IJEE C[C@@H](CO)N(CC1CCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1674192684 DPFQESHMNGWVFV-INIZCTEOSA-N 427.932 4.805 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 1675409388 NQIYYCHANPTTCA-FQEVSTJZSA-N 426.358 4.838 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1675755462 KXVUBWHTFGQVON-UHFFFAOYSA-N 449.595 4.725 30 10 IJEE C#C[C@H](NC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc(Cl)cc1F 1675756934 WSLCPJKYINPALZ-AWEZNQCLSA-N 433.764 4.649 30 10 IJEE COc1cc(CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C2CC2)ccc1OC(F)F 1678199175 AYDKTRARXQINIO-UHFFFAOYSA-N 444.482 4.739 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)C1 1684078274 VCRUMWNEAFIIFD-QGZVFWFLSA-N 445.485 4.737 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nccc2c1CCCC2 1685250805 OGTZRFOWYBDVOJ-UHFFFAOYSA-N 432.337 4.760 30 10 IJEE C=CCCCCNC(=O)N1CCC[C@]1(C)Cc1ccc(I)cc1 1686185931 AUTPTULCWIZJRU-LJQANCHMSA-N 426.342 4.754 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc(C(C)=O)cc1 1687885576 ONPYDEKDHRPIIX-UHFFFAOYSA-N 433.321 4.731 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1689889036 XFGZPMKLISUWNJ-QFIPXVFZSA-N 426.992 4.953 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1690066201 BIQAQTLDTKURCG-MRXNPFEDSA-N 449.958 4.500 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2c(CC)cccc12 1690087284 QYMCZAXEPMLSCW-ISKFKSNPSA-N 447.627 4.943 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(Cc1ccco1)C(C)C 1690163318 AUONGJOIWUWZMQ-UHFFFAOYSA-N 444.988 4.982 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC(OC(C)C)CC1 1690247832 HBVYTSWQKUIYQL-DHLKQENFSA-N 438.616 4.552 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCSC[C@H]1C 1690304406 ALEQAINHPRJDCZ-IAGOWNOFSA-N 432.659 4.666 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)N1CCC(C)CC1 1690518625 PUGKKGZZEHGQOW-RTBURBONSA-N 427.662 4.874 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1[C@H]1C[C@H](c2cccc(F)c2)C1)C1CC1 1690535804 HWKBDODLWJQNST-CYWCHRQTSA-N 425.552 4.609 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@](C)(O)[C@@H](C)CC)C1CC1 1690540985 JDKACNIFQRVTLY-BTYIYWSLSA-N 433.394 4.660 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1ncc(C)s1)C1CC1 1690546784 JOZGBUHUPFKJFS-AWEZNQCLSA-N 429.540 4.871 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1690633342 UFXYJQNDXREFNM-UHFFFAOYSA-N 449.624 4.843 30 10 IJEE C=CCn1c(N2CCC[C@@H]2c2cccc(F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653452 RRVXYHGVZNSATB-YZGWKJHDSA-N 441.551 4.715 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(SC)cc2)C1 1690710973 ZKMUTMZIUMXFOD-FQEVSTJZSA-N 440.638 4.676 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1692659921 HVIOQOLFBOSYRX-QGZVFWFLSA-N 440.592 4.904 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)C[C@@H](C)S1 1693829990 BXHIUVYWPQJBDZ-HDICACEKSA-N 425.602 4.639 30 10 IJEE CSC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1698368823 BJHNFYVZVZUISB-HSZRJFAPSA-N 439.629 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(F)(F)Br 1705481601 JQWCDFXUBABNSY-RYUDHWBXSA-N 443.361 4.577 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1cccnc1OC1CCCC1 1705500414 MPXVAKVXCNQWAV-NRFANRHFSA-N 443.595 4.676 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@]1(OC(C)C)CCOC1 1705521420 BHEQIXDGRLXGNR-OFNKIYASSA-N 428.602 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCC[C@H]1C 1705593775 IHSHVXMDVFMMEF-IRLDBZIGSA-N 434.584 4.642 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705660841 IQJXQXKJIYTDTM-QHCPKHFHSA-N 447.048 4.530 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705724123 MTAJJAIUINPOBQ-KDURUIRLSA-N 444.023 4.500 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1705731206 SVWKZQIRWIUBHN-UHFFFAOYSA-N 426.605 4.982 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)COC)CC1 1705762509 AYPGVIPTNNERKW-LJQANCHMSA-N 428.577 4.646 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCSC2)CC1 1705776164 ZHWHCAFXDALSGS-FQEVSTJZSA-N 439.629 4.693 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(Cn2ccnn2)CC1 1705786301 KVQPATJFEXXWCZ-QHCPKHFHSA-N 447.631 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](COCC)C1 1705789521 NTAVNUFXBMHSIQ-NRFANRHFSA-N 448.615 4.986 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(COC)CC1 1705800874 MGGGYXHMLPMEQW-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1CCOC(C)(C)C 1705865781 WIJPEIZRTGFQCJ-UHFFFAOYSA-N 440.569 4.743 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1705866172 JGIMEOFTNSCQPK-SESVDKBCSA-N 430.618 4.835 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(Br)cs1 1705872633 GAFMTTNZQYOQRV-UHFFFAOYSA-N 440.370 4.867 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1705945734 QUVPURKUZZHRSY-QFIPXVFZSA-N 426.630 4.693 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1 1712886781 FXFYGNCDJXARBB-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1CCCCC1 1722517760 YGYSMKIVQXHXAP-UHFFFAOYSA-N 429.584 4.663 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC(=C)C 1722530964 KOKDEVFSANWZKL-UHFFFAOYSA-N 437.357 4.842 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccnc2OCCCC)CC1 1722568161 XXYDOSBBXCCTLQ-UHFFFAOYSA-N 431.584 4.956 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722591938 STFWALPOAWCLOU-UHFFFAOYSA-N 443.555 4.536 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1722626482 CYGSDLWWFRRLHW-UHFFFAOYSA-N 444.023 4.504 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C1CCN(CCC)CC1 1722688067 ICQSQDPTYZRESI-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1723235549 CWIWTUQIOKULAF-UWJYYQICSA-N 445.970 4.929 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1740597948 XXKFYSKEKGNRSG-IBGZPJMESA-N 433.021 4.889 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)cc(C)cc1C 1740775549 AQSKBDBPAMUARI-UHFFFAOYSA-N 437.613 4.646 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1740820578 JGLMBXZQKAHYOQ-KRWDZBQOSA-N 445.995 4.916 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1740837435 MZKNCBTVVCGMBX-UHFFFAOYSA-N 445.489 4.803 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1740854076 KYSBHSPXPUPLPS-DEOSSOPVSA-N 444.627 4.929 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(Cc1ccc(F)cc1)C(C)C 1740862408 RKLKTDLNHJAQMK-UHFFFAOYSA-N 439.535 4.916 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740886878 VVYFDJXNXZADAP-UHFFFAOYSA-N 436.572 4.929 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC1CC(F)(F)C1 1740914606 VTUIBSCGAAMPOX-HXUWFJFHSA-N 432.515 4.766 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CCCc1nc2c(s1)CCCC2 1740914856 LXLORIJDEBMSHS-UHFFFAOYSA-N 432.597 4.619 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC1C[C@@H](C)O[C@H](C)C1 1740924688 ZSHIPXUAOOBFPP-RTBURBONSA-N 437.613 4.722 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(c2cccc(OC)c2)CC1 1740999217 AOINYSGAYCGSRS-UHFFFAOYSA-N 437.613 4.595 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC(OC(C)(C)C)CC1 1749109312 HOLLCYIMIYQISL-UHFFFAOYSA-N 447.421 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)C(C)C 1749122598 YJCNGWBZKREZPN-YOEHRIQHSA-N 439.423 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccccc1Cl 1749144045 RTHZADYWWCNLEA-HSZRJFAPSA-N 432.996 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1cc(C)no1 1749148783 GBEUIUMNXCAJPU-UHFFFAOYSA-N 434.313 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(C)cc1 1749171387 VLVHQGDEWDHYNF-FGZHOGPDSA-N 426.605 4.987 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCSCC(F)(F)F)CC1 1749331496 MOVRZAWVVYEZKU-UHFFFAOYSA-N 426.508 4.652 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1749354327 NPTSHBXUIDNYAD-QFIPXVFZSA-N 445.615 4.539 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 1749381901 IEGFUZGOGNQQNM-PKTZIBPZSA-N 445.615 4.657 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1749396279 ZBPLXNDBWRBQGY-QHCPKHFHSA-N 430.600 4.797 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SC)C1 1749409281 TTYWKMFIMFADGU-FQEVSTJZSA-N 427.618 4.835 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@@H]1C 1749448886 DIRAGCDHEBTFMC-CABCVRRESA-N 437.357 4.674 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(Cl)nc1)C1CC1 1749508596 VCJXQAYAFZBJFX-OAHLLOKOSA-N 427.911 4.809 30 10 IJEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1749512706 ASPANKGFMDLXSY-UXHICEINSA-N 447.505 4.973 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CCOc1ncccc1Cl 1749570877 DUJBZEXXWYYHLX-UHFFFAOYSA-N 430.339 4.904 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)C(C)C 1749592690 UPCYKRHHRSHHIX-JOCHJYFZSA-N 449.020 4.859 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@@H](c3nc(CC)cs3)C2)cc1 1749686625 WASSQSWTMDFCQI-LJQANCHMSA-N 437.613 4.857 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC(C)(C)C)n1Cc1cccc2c1OCCCO2 1750792559 ALWCYFXXPBJSSK-UHFFFAOYSA-N 439.604 4.842 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1csc(C(C)C)n1 1760123392 FCTBBXIDEKOZDH-MRXNPFEDSA-N 444.004 4.791 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1760136952 MLKSIACRGOEHCC-LEWJYISDSA-N 446.954 4.694 30 10 IJEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)C1CCCCC1 1760279895 AWWANIMGZMHWFQ-PGRDOPGGSA-N 440.613 4.562 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 1760319649 OQSAJFQJXYDJII-BEFAXECRSA-N 436.453 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1760408988 VXVKNJWXJNLBDV-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1760415334 VVJVTURKXYANRH-OAQYLSRUSA-N 436.579 4.875 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1760418621 VTAPTVWUAZPNQK-GMAHTHKFSA-N 431.584 4.953 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760433196 BICILWRPSVTSGG-QZTJIDSGSA-N 431.378 4.537 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCCC1 1760497579 LBWVHYANWNCTBT-UHFFFAOYSA-N 444.583 4.741 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1(CC)CCOCC1 1760499612 DOEUIIVPTGDUHA-UHFFFAOYSA-N 445.567 4.852 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2nc(CCc3ccccc3)[nH]c2c1 1860967056 ZLHDRTCKWQXNTB-FQEVSTJZSA-N 448.611 4.943 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862414306 WZCUKYBJJMBEIK-FQEVSTJZSA-N 443.446 4.986 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862416097 CQABAFCIKSLILR-LJQANCHMSA-N 435.854 4.622 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862478266 CHZUBJNMAPYIDP-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862562287 BWUNRSSXMZFJMI-LJQANCHMSA-N 432.442 4.912 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862591560 JLGDYIITZQNRQD-HJPURHCSSA-N 429.472 4.740 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C(C)C)cc1OCC 1862601702 LBSWZFIOBPIYSW-JOCHJYFZSA-N 439.508 4.566 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(O)c1 1862735530 MYFIZOZUFXABTN-OYHNWAKOSA-N 444.443 4.640 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)c(C)c3)C2=O)c1 1862877144 OYRXGRIKBYRTJU-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968480 PMMZBGACEJZMIT-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2cccc3ncsc23)c(Br)c1 1866043633 QZCIJHNWWHVXHH-UHFFFAOYSA-N 437.116 4.945 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1cccc(C#N)c1 1866657627 WFZBXJKOCVYTEM-OAQYLSRUSA-N 448.498 4.517 30 10 IJEE C=CCOc1cn(CCCCCCO)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870815883 GQGHKHNCKYIZHT-UHFFFAOYSA-N 425.356 4.885 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1OC 1871374601 SWKYYNMGXHZJTI-BKUYFWCQSA-N 436.485 4.838 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCC(N(C)C)CC3)C2=O)c2ccccc21 1871395943 DIQRXKFVJVAMDO-MYYYXRDXSA-N 445.563 4.509 30 10 IJEE Cc1ccccc1CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2)C3=O)CC1 1871397668 GPFUEWNITAJLNU-ONUIUJJFSA-N 440.543 4.635 30 10 IJEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCC[C@H](CO)C1 1871398884 UTXBNGFMMWJFST-YIRYVTQCSA-N 441.527 4.880 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490982 YYQNOBCHBUVVQT-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2cccc(Br)c2)C1=O 1873228365 MSPAIWFRQCLQPG-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)cc(F)c2)C1=O 1873317268 VLFVRXNIQTXKAP-HNNXBMFYSA-N 429.426 4.790 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)NCc4cccs4)ccc3C2=O)c2ccccc21 1873862578 ILOLRDAVNPVEOZ-KSEXSDGBSA-N 444.512 4.551 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874215829 XCEVDHDQVYCNGB-UFFVCSGVSA-N 431.905 4.640 30 10 IJEE C=CCSc1nnc(CC2CCCCC2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874409475 ZDZMGNITSWEYHM-HZHRSRAPSA-N 430.574 4.587 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCCCO)nnc2-c2cccs2)cc1OC 1874424516 PJBWYTIIWITAMG-PXLXIMEGSA-N 446.598 4.551 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2)c1 1874428944 JELPNTSLBBHSLB-PCLIKHOPSA-N 433.581 4.677 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1O 1874450479 CIDYJSHLUVXVTN-AOOMUMSASA-N 444.944 4.672 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)c1 1874467250 ZLSAFFDXTWXEJS-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2F)cc1C 1874510181 KTOLREJBZUMRMS-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3ccc(C(=O)OC)o3)c2)cc1 1874595515 PBTDSTIHEOUTAR-LFYBBSHMSA-N 436.460 4.949 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)c(Cl)c1 1892138010 QKPGAYSFJJJXLC-NHCUHLMSSA-N 427.957 4.552 30 10 IJEE C#CC[C@@H](CN(C)C(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1901481177 AMEPOQVNLQWQGH-RXFWQSSRSA-N 444.575 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 1907787884 FWYIJXSNMAMCIO-GCKMJXCFSA-N 434.541 4.606 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1 2037224079 MTWVTDQIHJDKAL-JXQFQVJHSA-N 443.544 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2070347055 PHVOFXYXQUNXMI-KLMIGJKJSA-N 435.608 4.874 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C)c(C#N)c2I)c(F)c1F 2079846458 DIZSVDRVSXEBBH-MRXNPFEDSA-N 427.236 4.644 30 10 IJEE COc1cc(CN=c2[nH]c(C)c(C#N)s2)cc(Br)c1OCc1ccccc1 2087926890 ITXJJUPGXVXOLE-UHFFFAOYSA-N 444.354 4.707 30 10 IJEE C=CCN(CC[C@@H](Cc1ccc(Br)cc1F)NCC)C(=O)OC(C)(C)C 2099286710 BPPVDGUAOBYVDH-KRWDZBQOSA-N 429.374 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2cccc(Br)c2C#N)CC1 2106958307 DMNFTRYIVZMJPW-INIZCTEOSA-N 426.330 4.718 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(F)c(Br)c(F)c2)C1 2126626351 SKNUXKNFVZERSO-UHFFFAOYSA-N 431.277 4.527 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2146395502 AQFOQEQESUQOEV-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3cc(Br)cnc3C#N)CC2)C1 2167613935 ONKJQBLJDMAWIQ-UHFFFAOYSA-N 435.366 4.697 30 10 IJEE CCCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccc(Br)cc2C#N)CC1 2174560370 SPRQJCBZJAVELL-UHFFFAOYSA-N 436.394 4.980 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(CCCCN2c2cc(Br)cc(F)c2C#N)C1 2174814061 CZOQBQXHYVCQLH-UHFFFAOYSA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cc(Br)ccc1C#N)C1CCCC1 2181056149 QEQZXEBHIXDYQC-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CNC[C@@H](C)CC#Cc1sc(Br)c(Br)c1Br 2212188047 ANLUKRQZKWYWNX-ZETCQYMHSA-N 430.003 4.633 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)Cc1cccc(NC(=O)OC(C)(C)C)c1 2235735979 VYGFIQSOXMMZLC-GOSISDBHSA-N 429.358 4.978 30 10 IJEE C=CCCC1([C@@H](N)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266311197 XVEPSGAXRKLTDD-INIZCTEOSA-N 431.321 4.930 30 10 IJEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267556994 IZXVBYRCJBNXAM-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE C[Si](C)(C)C#CC[C@@H](OCC(=O)O)c1cc(Br)c(Br)s1 2290761276 XFJUGHKTQYBCAD-SNVBAGLBSA-N 440.229 4.686 30 10 IJEE COc1cc2c(cc1OC)C(=CC(=O)CCCOc1ccc(Cl)cc1Cl)NCC2 2296285286 CIZFEGHKCZHXRP-UHFFFAOYSA-N 436.335 4.926 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@H](N)C#Cc3ccc(Br)cc3)(C2)C1 2296290269 ATPHTTHKPCSCPC-LRXVAGHRSA-N 433.390 4.555 30 10 IJEE O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Br)cc2)C1=C(O)c1ccccc1 2296936169 DIDIEVUXBIJBPG-INIZCTEOSA-N 441.306 4.532 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 2305197823 RPROUJPMAIBTOS-ZHBILRMLSA-N 428.573 4.696 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1cccc([N+](=O)[O-])c1)Nc1nccs1 2322312101 NNPMBKNXKHEJGW-UHFFFAOYSA-N 443.868 4.618 30 10 IJEE CCOC(=O)c1ccc(COc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)o1 2323187006 UAXJLCRRXWQWEV-UHFFFAOYSA-N 434.444 4.703 30 10 IJEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323229958 SEDLBIIJCJQQPQ-UHFFFAOYSA-N 431.463 4.964 30 10 IJEE NC(=O)COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1Br 2323517578 GGUVPHNGEAQCDD-UHFFFAOYSA-N 429.097 4.516 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)c1 2324055230 VCQSJOREBCIBLQ-HOTGVXAUSA-N 437.536 4.812 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3)ccc2C1=O 2325514172 QGLFDECDKBRRFL-UHFFFAOYSA-N 437.398 4.607 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325735825 ZELWGWZEUSJHGX-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326324015 BYMUERYCMVRCDZ-UHFFFAOYSA-N 439.541 4.926 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCc2cccc(OC)c2)nnc1SCC=C 2328653006 SMXSCPOPZRDQSM-UHFFFAOYSA-N 434.565 4.797 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc([N+](=O)[O-])c1 2328863040 VUMJKJDVEZZUED-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(OC)c2)c1 2330800251 KTECVADUTPYGNF-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c(Br)c2)c1 2331320712 WYYWIBPEFGKEEX-UHFFFAOYSA-N 437.293 4.971 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)CC(C)C 2331396246 BVEPSEVZENCDPP-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2331589611 BPAATBPOQIQDLV-UHFFFAOYSA-N 426.509 4.974 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CC2)cc1 2331734009 RCVSLLBNWQHIMG-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE COc1cc(C=NNc2oc(-c3cccs3)nc2C#N)ccc1OC(=O)c1ccccc1 2331938185 MQQALFHYLZSISD-UHFFFAOYSA-N 444.472 4.949 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2360944074 NZQMMJNNRFPNLL-WSTZPKSXSA-N 435.406 4.720 30 10 IJEE COC1(C#CC(=O)c2cc(I)ccc2Br)CCCCC1 2363616377 OILQAICSEVGDAT-UHFFFAOYSA-N 447.110 4.589 30 10 IJEE CC#CCN(C[C@@H](NCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2365216641 WLNZZYHIQXLPCV-GOSISDBHSA-N 439.394 4.677 30 10 IJEE Cc1cc(CN[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682891 ZULVMTXXGIEDME-GKXKVECMSA-N 447.428 4.768 30 10 IJEE N#Cc1ccc(N[C@@]2(C(=O)O)CCCC[C@H]2OCc2ccccc2)c(Br)c1 2377845526 JUWMDXPYPXHKOS-CTNGQTDRSA-N 429.314 4.715 30 10 IJEE COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc(OC)c1OC 20882693 TYHXOIADXLIZDD-QUCCMNQESA-N 449.547 4.840 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2cccc(OC)c2)c(C)n1 32972812 MYCKZTODWOJGPV-UHFFFAOYSA-N 439.947 4.662 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 33935781 BSFNBAVXBFNRNX-JOCHJYFZSA-N 431.419 4.835 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(/C=C/C(=O)c3ccccc3)c2)c1 59522319 XYSWIKGMAQBRBH-VAWYXSNFSA-N 441.487 4.752 30 10 IJEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(C(=O)OC)cc3)nc21 65002902 NRLSFVJEBADSCN-PCLIKHOPSA-N 430.512 4.792 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2C(F)(F)F)ccc1OCc1cc(C)ccc1C 169914540 BDCSZFZPOSNVCJ-VROXFSQNSA-N 436.459 4.672 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccncc2)cc1C 170015362 TYTZLIBESDIOBH-HSZRJFAPSA-N 427.504 4.547 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2)cc1 170029042 KDGQSWUYQABHND-QHCPKHFHSA-N 443.455 4.597 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2F)cc1 170069731 GSIBIBQFISFFCG-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 170082981 DSJXGKLBLOIEHY-QHCPKHFHSA-N 431.463 4.872 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccc(C)o2)cc1 170100628 RZKQKUMXAGCGLM-QFIPXVFZSA-N 431.444 4.662 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)cc1 170138133 MQWOZZJSNCYKMK-XMMPIXPASA-N 445.515 4.939 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccccc2)c1 170141564 LUOKSVQWPBZARC-HSZRJFAPSA-N 427.456 4.549 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(C)c1 170143837 LJKCYKIRLUPQHI-QFIPXVFZSA-N 431.488 4.992 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)c1 170181958 DEPDAUCEXPOENG-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccnc2)c1 170186547 YPYRSAORFVDHDW-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc3ccccc23)c1 170220384 VHZLSXIJUZNHFR-XMMPIXPASA-N 445.515 4.853 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)c(Cl)c1 170246430 SCXMIEKMTUCKHL-LJQANCHMSA-N 448.302 4.753 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)cc1 170296776 DOZXEUHQMNIPPD-JOCHJYFZSA-N 435.451 4.638 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301624 BRMCFVYWPIUGDH-HSZRJFAPSA-N 445.471 4.759 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 170438516 FNKBCWXZRVDZKA-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCOC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(C)c2)cc1 170459641 RPURUTHGDGNWCE-JOCHJYFZSA-N 435.520 4.616 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(OC)c(Br)c1 321006004 ZXDCSZFGMVGJLH-UHFFFAOYSA-N 436.780 4.550 30 10 IJEE C=CC[C@@H](C(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 428016100 VRSGROHSAUSXRA-OAQYLSRUSA-N 433.470 4.841 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(O)nc2ccc(Br)cc12 464936585 BSCFBSCHXUPEDX-ICSRJNTNSA-N 436.309 4.615 30 10 IJEE COc1ccc([C@@H](NC(=O)c2sccc2C#N)c2ccccc2)cc1Br 485349041 INTHOUNTJZMTPO-SFHVURJKSA-N 427.323 4.910 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC(c2cnn(CC)c2)CC1 508911655 JCZAYCBESWPVRB-UHFFFAOYSA-N 447.406 4.556 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@](O)(C(F)(F)F)C1 508915071 WEBHCFCYZLCTGQ-AOMKIAJQSA-N 446.473 4.651 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(OC)c(OC)cc1OC 526800381 QCDTUPNZFCDAJK-IWIPYMOSSA-N 440.569 4.821 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(OC(C)C)c1 526828992 QRNCYZHOOGVEDX-XKZIYDEJSA-N 425.514 4.710 30 10 IJEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 549705417 CUWRARHNYWPXRQ-HXUWFJFHSA-N 449.382 4.933 30 10 IJEE C=CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586136533 YPWCFMYOFZFAFK-UHFFFAOYSA-N 449.400 4.570 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 685539686 ZFBACFCDMVLCDW-YLJYHZDGSA-N 440.979 4.949 30 10 IJEE N#C[C@@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccccc1 700313279 ISOGGZSAUDSFNP-KOSHJBKYSA-N 426.472 4.676 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)N(C)C(=O)OC(C)(C)C)cc1 710816492 XPZOVEJKPTZAEW-SFHVURJKSA-N 433.549 4.974 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2nncs2)cc1)[C@@H]1C[C@@H]1c1ccccc1Cl 751133482 AUZQQKQJUPOLQP-DLBZAZTESA-N 447.973 4.584 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=S 764972719 OQCMWWSUDYWLOE-MRXNPFEDSA-N 426.567 4.852 30 10 IJEE C#Cc1cccc(NC(=S)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 811709422 ZVZMKKCABPDDDP-XLIONFOSSA-N 429.383 4.573 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc(Cl)c(F)c2)c(C(=O)OCC)c1C 1124821315 PVAQTQWAVYNEEQ-UHFFFAOYSA-N 439.892 4.550 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1125289211 BHVBSRBZRDKFDN-IBVKSMDESA-N 442.600 4.704 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)c1 1125713235 MFTKIGJFEKBIQT-AREMUKBSSA-N 446.478 4.545 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1125825329 HRCYFHSCVCXADI-UHFFFAOYSA-N 425.488 4.819 30 10 IJEE C=CCC[C@H](NC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 1127329469 VRVRGFILSGFONU-FQEVSTJZSA-N 439.499 4.865 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nccc3cc(Br)ccc23)c(OC)c1 1129318142 WKLZNASTDVJIRB-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CCc2ccccc2C)[nH]n1 1164006292 XYHDCQRYXLLOJC-FQEVSTJZSA-N 426.561 4.691 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)c(F)c1 1190335946 DMVXFVSNAYTJHX-LJQANCHMSA-N 437.521 4.569 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CCCC1(C)C 1221677048 YFNSUBFOAIAGTM-AUSIDOKSSA-N 430.612 4.805 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C)[C@@H]1CCCc2ccccc21 1251488461 BHYDGYDLSFCTDX-DHIUTWEWSA-N 434.490 4.510 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c(OC)c1 1264632487 JUMDSBSGNBLWKO-UHFFFAOYSA-N 447.487 4.749 30 10 IJEE C=CCN(C(=O)c1cc(Br)cc(I)c1C)C(C)(C)C 1279621390 QIFKBBUGVSCLCJ-UHFFFAOYSA-N 436.131 4.789 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286334817 ZBTGHSQKVPCEEQ-DHIUTWEWSA-N 433.600 4.794 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccccc1F 1286337870 XJTWVVISPAZONS-AWEZNQCLSA-N 430.325 4.786 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1286339968 RBRWVURNGWGRAC-WOJBJXKFSA-N 444.526 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCC[C@H]1CCCCO1 1286517734 YHXZSWFTSJXKIU-NTKDMRAZSA-N 442.991 4.949 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCOc1ccc(Cl)cn1 1286518127 BKUUBRRCTAIFOA-SQJMNOBHSA-N 449.986 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CC[C@H](OC)C(F)(F)F 1286519397 WTTYOWXAWQLFEM-XQBPLPMBSA-N 434.506 4.780 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCCCC2)C1 1286584818 UKPMNMNTUXPJEX-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nc(C(F)(F)F)cs2)CC1 1286660665 PDIPBEYFASNZIE-UHFFFAOYSA-N 448.518 4.769 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286691925 URNLYSHYBKZBPC-IAGOWNOFSA-N 438.494 4.857 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H](OC)C(C)(C)C 1286744935 NXGVVIVTWAVAKA-QFIPXVFZSA-N 437.563 4.657 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC[C@H](OC)C(F)(F)F 1286749062 IZJLKCRTFOQGSG-IRXDYDNUSA-N 444.523 4.741 30 10 IJEE C=CCC[C@@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1)c1ccccc1 1288733381 WLNQZZQJUSXCAG-FGZHOGPDSA-N 442.600 4.659 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)NCc3ccc(Br)cc3F)c2)cc1 1289577507 DDNICOLWIUYKQO-UHFFFAOYSA-N 439.284 4.969 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(Br)sc2Cl)cc1 1292109984 ZUVRDWUQGTXEKY-UHFFFAOYSA-N 440.750 4.626 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)OCC 1296822361 CWNURYDNKFXPTR-IAGOWNOFSA-N 439.396 4.995 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 1299852649 LKCIOYSEUZPCCU-NRFANRHFSA-N 438.593 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1N(C)CCCC1(C)C 1300282324 HHCKXJYQNROINA-PGRDOPGGSA-N 439.673 4.854 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCc2oncc2C1 1300384498 QPENBSPJDWCZNC-KRWDZBQOSA-N 439.947 4.652 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCC(F)F 1300393392 GVEQEQLDNLQIAG-UHFFFAOYSA-N 431.712 4.866 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC1(C)C 1300626842 XPFPZFOQJZAOCE-WOJBJXKFSA-N 443.636 4.678 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)CC1 1300876025 PGQILOOGQWVRIN-RDTXWAMCSA-N 440.897 4.954 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1301041372 KUPNYUVEMVKIDV-MRXNPFEDSA-N 436.387 4.659 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1301088977 MQAOSCLZNXZDDZ-JOCHJYFZSA-N 437.632 4.567 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2C/C=C/CC)CC1 1301135515 YABZRCAFRWBRJG-AATRIKPKSA-N 431.378 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCc1csc(C)n1 1301384735 TWFGSDNIQKVTOX-UHFFFAOYSA-N 444.402 4.894 30 10 IJEE C=CCSc1ccccc1C(=O)NCC[C@@H]1C(=O)N(Cc2ccccc2C)N=C1CC 1306838129 CSWRXPITZGDXQP-FQEVSTJZSA-N 435.593 4.818 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@H]3CCC(=O)N3)c2)cc1OC 1308437029 LEERFSKGFYVGPN-GOSISDBHSA-N 431.330 4.586 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CC(=O)OC)c1ccc(C)cc1 1310862821 XKVSLPPLKOIEAX-KRWDZBQOSA-N 447.329 4.748 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1316537303 ARQKCRMZPMVGJC-UHFFFAOYSA-N 446.889 4.706 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)C1 1320063033 GXAUQSRHKSVIMJ-HXUWFJFHSA-N 433.508 4.514 30 10 IJEE C=CCN(C(=O)CCS(=O)(=O)C=C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1348922287 TWILWDNYORGUSG-UHFFFAOYSA-N 431.366 4.584 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc(OC)c1OC 1352357393 SPJZLUPKWJSZOD-UHFFFAOYSA-N 431.414 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C)c(C)s1 1358871672 IXQNEBJDJROPOA-DZGCQCFKSA-N 429.977 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)Cc1ccsc1 1359102814 GAFRTOFXLBUQSR-REWPJTCUSA-N 438.597 4.579 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1359121289 HEUCXRJJWFEDKV-BEFAXECRSA-N 431.378 4.982 30 10 IJEE C=C(Cl)Cn1c(N(Cc2ccc(F)cc2)C(C)C)nnc1[C@]1(OC(C)C)CCOC1 1359156817 QQMNRKRHEYJRSG-QFIPXVFZSA-N 436.959 4.625 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1359162009 ZPYKMXQKMQALJV-OAHLLOKOSA-N 429.977 4.967 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1359222098 XVXKGSBGKQUKJW-YPAWHYETSA-N 442.604 4.942 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(Cc2ccsc2)CC1 1359283800 WFNUGWODLWEIAM-FQEVSTJZSA-N 437.613 4.605 30 10 IJEE C=CCSCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(Cl)nc1 1359346109 BEVYZQFHUZTFFM-UHFFFAOYSA-N 429.981 4.653 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccccc2CN2CCCCCC2)cc1OC 1360283471 OOSFRMGOIWRJJP-SQFISAMPSA-N 434.580 4.966 30 10 IJEE C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CC#N)N(C)C(=O)OC(C)(C)C 1360544361 HQKKKMZEJYDSOA-HZPDHXFCSA-N 446.983 4.592 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NCC3(c4cccs4)CCCCC3)CC2=O)cc1Cl 1360632891 DACFNCRUNYLWCS-QGZVFWFLSA-N 441.984 4.644 30 10 IJEE CCN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccc(C#N)c(Cl)c1 1435578406 ICWKLVPWAPYGCE-HXUWFJFHSA-N 427.932 4.906 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c(OC)c1 1436153144 JEBDOBXRGMQMDC-SFHVURJKSA-N 449.378 4.895 30 10 IJEE N#Cc1cc(CNC(=O)c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)ccn1 1448860108 ARJCAAVESFYODU-UHFFFAOYSA-N 440.290 4.834 30 10 IJEE N#Cc1cccc(-c2cnc(CNc3nc(C(F)(F)F)c(Br)s3)[nH]2)c1 1458316643 GSVWNPKSLZIMQS-UHFFFAOYSA-N 428.237 4.798 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(OC)cc(Br)c1OC)c1ccc(F)c(F)c1 1459182838 JBRGVCROAFFUOT-QGZVFWFLSA-N 426.257 4.792 30 10 IJEE C=CCC1(CNC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)CCCC1 1460026815 MLNRNJSRRQAHCU-UHFFFAOYSA-N 427.566 4.937 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1463151470 XNHSMUHGKZCHHW-QHCPKHFHSA-N 442.600 4.753 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)c(Cl)c1 1463161641 YHKMULDQNCTLNF-UHFFFAOYSA-N 447.951 4.920 30 10 IJEE Cc1c(NC(=O)[C@H](C#N)CCc2ccccc2)cccc1C(=O)N1CCc2sccc2C1 1463972433 BDMDBYUUJNFUBY-FQEVSTJZSA-N 443.572 4.966 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 1464076160 ZVBFDTIHGUPZEA-UHFFFAOYSA-N 428.492 4.769 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)c(Cl)c1 1467403436 XDDLWCOMNSCPOJ-UHFFFAOYSA-N 437.927 4.730 30 10 IJEE C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 1468457069 GOJHBWAVLXRSSU-QGZVFWFLSA-N 435.911 4.735 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)CC1 1471936262 WTMXVSHJKBZVLK-UHFFFAOYSA-N 429.973 4.651 30 10 IJEE C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1477256911 GIWBWQNDJWZKAK-AUUYWEPGSA-N 436.408 4.817 30 10 IJEE C=CCCC[C@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1 1477624681 CAJMAZLPSPUTFA-NRFANRHFSA-N 443.613 4.660 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)c1 1492645695 FTFVCIKUFTXGND-QHCPKHFHSA-N 449.605 4.792 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c([C@H](C)CC)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1498472870 BJLIEOTUKBPEIN-GOSISDBHSA-N 445.615 4.739 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)C1 1505206401 GJYKENLDJNFIBM-VXKWHMMOSA-N 439.629 4.888 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(CC)(CC)SC 1507603627 QXCKDIIGXSTCQU-UHFFFAOYSA-N 439.398 4.838 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1507609168 PRRBQASNXYHWBK-CALCHBBNSA-N 434.415 4.689 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@](C)(O)C1CCCCC1 1507699799 KVZJIBJOUZDOBX-DFBJGRDBSA-N 426.580 4.902 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)CC(C)C 1507780445 BZBLWJVWQOJDKT-UHFFFAOYSA-N 444.377 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccco1 1507796747 QJVJBBDUUVRVMN-FOIQADDNSA-N 430.911 4.948 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1nccs1)c1ccccc1 1507853841 FUEGXXBXYQFYMD-UHFFFAOYSA-N 436.972 4.842 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccco1 1507960684 VFQKNIYSKANCTD-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CCCOCCn1c(N2CCS[C@@H](C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1507965730 IQPNKZGEAPPFEG-UXHICEINSA-N 426.630 4.671 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1507976574 CPYJIXLAWBQLES-UHFFFAOYSA-N 427.593 4.959 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CC2)C1 1508168815 UKQCUDUZGQRRPF-SFHVURJKSA-N 447.649 4.650 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1512062531 FUBSIRFHAYCSCI-STSQHVNTSA-N 425.602 4.639 30 10 IJEE C#C[C@H](NC(=O)c1cc(F)cc(Br)c1C)c1ccc(Br)cc1 1525053875 GSITYXAMLMWMNT-INIZCTEOSA-N 425.095 4.763 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C/C=C/c2ccc(C)cc2)c(C(=O)OCC)c1C 1525887471 LRORYWGYOXLLQR-BQYQJAHWSA-N 427.522 4.926 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C#N)ccc1F)c1ccc2c(c1)OCCO2 1530677492 FIERKACJICWCRJ-UHFFFAOYSA-N 444.462 4.880 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1537203736 FOBCDSJSBYCQAA-KRWDZBQOSA-N 425.451 4.787 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086484 GUFDUEXDEQLLQZ-BURNTYAHSA-N 441.620 4.621 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1539103777 YNMVVNMKVRPVFO-HNNXBMFYSA-N 444.992 4.845 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCN1CCCC 1539548599 RAJCTCRZOVHZNM-BKMJKUGQSA-N 435.616 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CCCc1nnc(C)s1 1539659575 BVJHEJGPMWOKBZ-UHFFFAOYSA-N 433.585 4.688 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3)[C@@H](C)Cc3ccccc3)cc2C1=O 1539862433 LWROAKZIMFOZJO-FQEVSTJZSA-N 438.527 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539908831 BRPRYBIZJSVOEL-KRWDZBQOSA-N 447.986 4.645 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1 1539947433 MFXVDRCGHDVGCC-NRFANRHFSA-N 435.616 4.993 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)=C(Br)C1 1539985721 OYIPKUNKDSKHME-UHFFFAOYSA-N 432.322 4.699 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539990993 VCZVKZARTSSRGF-NVXWUHKLSA-N 438.494 4.953 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1540012504 OJTQEOUOQWBKCC-UHFFFAOYSA-N 433.581 4.816 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)c(Cl)c1 1540861138 CSCNOVQNBQWSLN-SFHVURJKSA-N 449.958 4.965 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN(CC)C(=O)OC(C)(C)C 1545621257 DNAMJZUSAYHWHL-GOSISDBHSA-N 440.592 4.556 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CCOC)CCCC1 1545740654 BMHFNCUKGZPSNB-SQJMNOBHSA-N 439.579 4.859 30 10 IJEE C=CCn1c(SCC2(O)CCOCC2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1559315873 LQVMQJKXDIKXSK-QGZVFWFLSA-N 447.670 4.977 30 10 IJEE C#CCN(C(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1)C1CCN(C)CC1 1565276253 DTJCSZHETXLKEW-UHFFFAOYSA-N 443.950 4.819 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 1583130144 DQLIHZISHVXJSN-HXUWFJFHSA-N 431.964 4.956 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N(CC3CCCCC3)c3ccccn3)CC2=O)cc1Cl 1583168766 AEWOMJHYSNSYPD-IBGZPJMESA-N 436.943 4.573 30 10 IJEE Cc1cc(F)cc(-n2nc(C(=O)Nc3cccc(C#N)c3Br)c3c2CCC3)c1 1584225386 HZRAICMQPYRZKL-UHFFFAOYSA-N 439.288 4.695 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccc(C(=O)OC)cc1Br)c1ccccc1 1585072637 QRKSTOITPAPWSE-IBGZPJMESA-N 430.342 4.992 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cccc4c(Cl)c(C)cnc34)ccc2c1=O 1586015484 GOUCRJRRCNJZCH-UHFFFAOYSA-N 436.924 4.634 30 10 IJEE C=CC1(CC(=O)Nc2nc3cc(Cl)cc(Cl)c3[nH]2)CN(C(=O)OC(C)(C)C)C1 1586343673 NXXMULGSTLMAEH-UHFFFAOYSA-N 425.316 4.621 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H]1CCCCO1 1587567909 LKQSHNRTXCOMJB-XXBNENTESA-N 431.584 4.770 30 10 IJEE C#CCOc1ccc(CNC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1 1587714267 STKLEJIOIYYOJR-UHFFFAOYSA-N 443.334 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)SC 1588185265 DQZHXLVSPUIEAY-HXUWFJFHSA-N 431.609 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1589503494 DPVSUALYADCWDC-HNAWSFBYSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(F)(F)F)CC1 1589505858 OSIDTMUMEGDQPN-MJGOQNOKSA-N 438.494 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)C/C(C)=C/c1ccccc1 1589559425 RCOZGUVVPITAHH-UPLWABSASA-N 443.595 4.785 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1593611377 SNZDWYDCHUQFPO-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594693215 UBFXFFDZOFTWJV-QLFBSQMISA-N 437.407 4.597 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1595134040 QRGLYNQWLPVPBD-QFIPXVFZSA-N 427.612 4.929 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)C(=O)OCC 1596596533 RXHRBFUKYGJHQN-HNNXBMFYSA-N 427.444 4.941 30 10 IJEE C=C(C)COCCNC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1632028364 XEOLZNWMSZVRHI-AWEZNQCLSA-N 438.391 4.834 30 10 IJEE Cc1cc2c(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)n[nH]c2cc1C#N 1632033225 FKSMMNHRVLSGFE-UHFFFAOYSA-N 429.867 4.901 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(F)c(C)c1 1635738556 NUFCECIJOIRYPY-UHFFFAOYSA-N 431.939 4.676 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1 1644357319 RVSHLCGYUXIDNH-UHFFFAOYSA-N 447.922 4.623 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1cc(I)ccc1Br 1649399728 MVEHFAVQXXSRQH-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)CCS1 1649593345 HSSCEWDAQCZLRD-LEWJYISDSA-N 439.629 4.744 30 10 IJEE C=CCOc1c(Br)cc(CNCCC2CCN(C(C)C)CC2)cc1OC 1651385776 GRPZHMMBXKSMRR-UHFFFAOYSA-N 425.411 4.623 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1661123811 AURPDLHGBFCOFR-IBGZPJMESA-N 443.588 4.828 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1ccccc1OC(F)(F)F 1661914297 CDDZXOWGARXNOE-UHFFFAOYSA-N 428.248 4.692 30 10 IJEE COc1ccc(Oc2ccc(CN[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2)cc1 1662198446 BGMCJKZUOAGFGY-VWLOTQADSA-N 427.504 4.644 30 10 IJEE C[C@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 1666718505 AMOTYKAHZSOAPN-SFHVURJKSA-N 438.547 4.908 30 10 IJEE CCSc1ccc([C@@H](C)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)cc1 1667158261 DZKRPUZDJNTUQS-LLVKDONJSA-N 443.363 4.611 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCCc2ccc(Oc3ccc(OC)cc3)cc2)cc1 1668209885 DYLKTPBPBIMMRI-UHFFFAOYSA-N 445.519 4.768 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc1 1668388889 AIPHHVPZQUXEPA-GOUWZUTHSA-N 439.600 4.684 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2ccccc2CN2CCCCCC2)n1 1670159113 CKAFFJDKDPPMSD-UHFFFAOYSA-N 446.530 4.581 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCN2CCC3(CCCCC3)CC2)n1 1670182431 FMPRBMLLRAEDJA-UHFFFAOYSA-N 440.979 4.565 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)C1 1673342213 HANJJBZCZWQCJM-MRXNPFEDSA-N 446.320 4.600 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@H]1OCCc2sccc21 1678356046 JJCZNBLMPLTWNO-KZULUSFZSA-N 437.359 4.899 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(NC2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 1680855215 KQDAIRPKIXKECP-NRFANRHFSA-N 439.522 4.655 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 1683289292 RXNYHACQWBBLSN-PMACEKPBSA-N 437.367 4.562 30 10 IJEE C#CCN(C(=O)NCC[C@H]1CC1(Cl)Cl)[C@H]1CCOc2ccc(Br)cc21 1684256753 KSSHTWKMMIZLJA-WFASDCNBSA-N 446.172 4.501 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CCN(CC)CC(C)C)CC1)c1ccc(Br)cc1 1686920009 QZQHJXFPCZLJGF-QFIPXVFZSA-N 448.449 4.913 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1687206598 WEPQQYUIBFLXCZ-FYYLOGMGSA-N 443.385 4.635 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[C@H]2CC)c1 1689868349 DICFCTWCGWJKEQ-NHCUHLMSSA-N 445.567 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)C(F)(F)F 1690198335 KWDXUYJLYDEZEG-OAQYLSRUSA-N 436.478 4.543 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1690237163 WETSBPHSGWBHLP-HBGVWJBISA-N 448.970 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC(C)CC1 1690240039 AQFKSOJRGJCKDK-IZIJYRQQSA-N 429.996 4.990 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1690453333 ACTMKHCPDKBCNQ-PMACEKPBSA-N 439.560 4.853 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690456178 YDDDDUCWFCQXCX-HXUWFJFHSA-N 448.571 4.761 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C 1690580846 GRVFDJKIQODHOI-NJDAHSKKSA-N 443.661 4.875 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690633117 JOYYOJXSKWEHMR-DFBJGRDBSA-N 437.588 4.532 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC[C@@H](SC)C1 1690636085 FSHWAAHGFVNIBH-OAHLLOKOSA-N 437.407 4.624 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CCNc1ncc(Cl)cc1Cl 1705487416 XXJLOZJSRAGFNY-HNNXBMFYSA-N 429.355 4.525 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705677327 KPGFIHHTWFLQEQ-SZEHJLNQSA-N 449.643 4.586 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C)(COC)CC1 1705684881 GFBPQRSUDGVEDN-UHFFFAOYSA-N 444.377 4.588 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1705685529 BVVBZJUQSWPXHZ-HXUWFJFHSA-N 444.421 4.950 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCCOc1ccc(F)cc1 1705699861 MMGFHIOWCDRZFI-NZQKXSOJSA-N 442.579 4.961 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nccn2C(F)F)CC1 1705785050 TZNADNKQMXIOJK-UHFFFAOYSA-N 442.514 4.516 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705887492 KMIQILVOIDPNJY-DLBZAZTESA-N 425.577 4.918 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(C)(F)F)c2)C1 1705922832 UBHJEUYHYGGITG-HXUWFJFHSA-N 439.510 4.590 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705947507 NIZZQYXOHIGJSI-SFHVURJKSA-N 436.547 4.799 30 10 IJEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1708036437 ALKSQARDSWOELZ-LHSJRXKWSA-N 434.371 4.543 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)c(C)n1 1709634641 CXZPIWOVNVMAQC-RTBURBONSA-N 431.588 4.652 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccc(OC)c1 1722301276 BPCOAIMJBKUEJS-STZQEDGTSA-N 438.616 4.641 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](SC)C1 1722307448 WKNLZDHVDYICOJ-OAQYLSRUSA-N 439.629 4.673 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2c(C)cccc2C1 1722526473 WYYSOYPYXNMQOC-NRFANRHFSA-N 437.588 4.797 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1722560928 HRORZFHWZWXMHL-IBGZPJMESA-N 441.576 4.650 30 10 IJEE C=Cc1ccc(CCn2c(Cc3cn4ccccc4n3)nnc2N(CC)CC(=C)C)cc1 1722574438 UYULSPWGYGFASN-UHFFFAOYSA-N 426.568 4.805 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722605814 SYPMXYIOCADLGF-OAQYLSRUSA-N 436.604 4.657 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1oc(CCC)nc1C)C1CC1 1722654353 VVUXHBNYKVVVDJ-WIYYLYMNSA-N 427.593 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ccnc(-n2cccn2)c1 1722664408 ZAEMDSHWMAHGQA-UHFFFAOYSA-N 447.612 4.750 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C1CCC(C)CC1 1722694570 ZXKVEPJQIOUWPQ-UHFFFAOYSA-N 441.645 4.593 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2Cc2nc(C(F)(F)F)cs2)C1 1724010259 IBOLDHYGCJULHK-LJQANCHMSA-N 438.523 4.664 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)C1 1729269317 GAUSBQVCKUQCSZ-QFIPXVFZSA-N 439.629 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCC[C@@H](O)C1 1740541328 XDTSIEFNGJKPHS-SQGPQFPESA-N 438.572 4.822 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCCOC2)C1 1740595933 NLJRMZBMDCYYRD-QFIPXVFZSA-N 449.382 4.584 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740661468 CEKHHTJYAMMVDG-OHUGHZGNSA-N 441.595 4.527 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCc2cn[nH]c2)CC1 1740818596 ODKAWYDNLXCFHS-GOSISDBHSA-N 440.979 4.811 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1 1740870505 GUBHVZXQEVNJPG-NRFANRHFSA-N 436.629 4.878 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@H](C)C1 1740924127 HPPDWXUEORLVKB-IBGZPJMESA-N 427.662 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCC1(F)F 1740925996 UKMSTZKCNUIOKS-GOSISDBHSA-N 432.515 4.966 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCOC(C)(C)C)C1 1740972688 LFGMRFHHTCMFNJ-NHCUHLMSSA-N 442.604 4.631 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)OCC)C1 1740973662 BLQLHJOUYKLGJU-MJGOQNOKSA-N 444.645 4.728 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)CN2CCCCC2)C1 1740976495 XBVIOWCBZJGEPQ-UGKGYDQZSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1740997326 YIYFXWSIGCXGEQ-SESVDKBCSA-N 444.645 4.958 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1743438278 DZVOEVIXHZGMNZ-UHFFFAOYSA-N 436.535 4.620 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(SC)CCOCC1 1748650802 DZGRCSRJZYHPJT-IRXDYDNUSA-N 444.670 4.502 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCC(C)(C)C1CC1 1748946875 SGUJYUCVVVYFBV-UHFFFAOYSA-N 448.590 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1749137176 WUUKXOLEOHVVNV-JTSKRJEESA-N 442.947 4.721 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749411846 HBVJWPQBBJSPMK-XZOQPEGZSA-N 445.615 4.681 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCO[C@@H]1CCOC1 1749466873 AWLIBLOTCSORAI-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)NC1CCCCC1 1749563699 NFOFHKAQECEOBU-UHFFFAOYSA-N 445.970 4.755 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1749574625 ANNYRXKCAOPJRG-OALUTQOASA-N 438.469 4.972 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC2CCOCC2)C1 1749714068 DZOPSBKRDQVKBT-JOCHJYFZSA-N 445.007 4.510 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@@H](COC)C1 1749749861 SFEYPEWMZCOYQD-LJQANCHMSA-N 437.613 4.665 30 10 IJEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1nc2c(s1)CCCC2 1750816472 GILWVUZOXUPTRV-UHFFFAOYSA-N 434.613 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)OCCc2sccc21 1760116531 QOLYTNGIJKHLGD-QMHKHESXSA-N 441.000 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)C[C@H]1CC=CCC1 1760324872 NQVFFKYNJXYKTG-ROKPMTFOSA-N 440.563 4.770 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)N(C)C 1760480897 IGGYBMDIQQKZJS-GMAHTHKFSA-N 435.572 4.608 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(F)(F)CC1)C(C)C 1760488527 XSQABTZKEBLSOM-IBGZPJMESA-N 433.547 4.781 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1cccc(C(F)(F)F)n1 1761076484 BXUISMYIQVFDBO-UHFFFAOYSA-N 443.477 4.568 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)C(=O)/C=C/c1ccc(Br)cc1F 1860731331 LMBPZPDQQLTGRW-GQCTYLIASA-N 426.669 4.780 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1c(F)cc(F)cc1F 1862459659 MKFCJFYEWMXIDT-IBGZPJMESA-N 446.381 4.533 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 1862550036 ASXGSAHSYHZFIG-JOCHJYFZSA-N 432.907 4.743 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1Br 1862565688 DJIVYNINNXYMBD-IBGZPJMESA-N 443.341 4.656 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1862582453 FEGAROFQAPBPEW-QGZVFWFLSA-N 434.275 4.680 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2)cc1 1862589124 FKIXQCLASXFXBG-HJPURHCSSA-N 429.472 4.740 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862590677 NIFFHDPZTWBOBD-QHCPKHFHSA-N 431.463 4.872 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCO)c1 1862655462 IZVCXKQNVKJLGX-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c1 1863074489 YTRARALUCXKNEZ-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccs3)C2=O)cc1 1863345068 MGIPOYJYLBRVFZ-UHFFFAOYSA-N 443.528 4.801 30 10 IJEE N#Cc1ccccc1COc1cccc2c1C(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O 1865819559 PIRHSJOVUNMQKQ-UHFFFAOYSA-N 436.389 4.952 30 10 IJEE Cc1nncn1C1CCN(c2cc(Nc3ccccc3C#N)nc(-c3ccccc3)n2)CC1 1868372128 CJRBIVGXUVZVIZ-UHFFFAOYSA-N 436.523 4.500 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871370840 BSUDPMHGSPDXMI-UUYOSTAYSA-N 431.400 4.504 30 10 IJEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871390147 IOIFIDQFFXWTPG-UUYOSTAYSA-N 443.455 4.787 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 1871458522 AFGAHXDLYCDSCL-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872270206 QDLRMYOMXFERLE-IBGZPJMESA-N 442.915 4.602 30 10 IJEE CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(F)c2)cs1 1872775660 WTPWXQIEDSLNQX-OAHLLOKOSA-N 426.469 4.612 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(OC)c1 1872783661 FNEYURPTCARTML-OAHLLOKOSA-N 443.868 4.879 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203547 WNVDKMOQKRZCIR-UHFFFAOYSA-N 437.421 4.874 30 10 IJEE O=C(CSc1nncn1/N=C/c1ccc(-c2ccccc2Cl)o1)NC1CCCCC1 1873504882 QDKDSRKVDUWNJJ-WYMPLXKRSA-N 443.960 4.615 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(O)c(OCC)c1 1874279407 IDBYHLVWBXAVGH-BUVRLJJBSA-N 442.972 4.981 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccn2C)cc1 1874349352 HRGIQYQLAUONES-MFKUBSTISA-N 435.528 4.530 30 10 IJEE C(=N/n1c(SCc2ccccc2)nnc1-c1ccccc1)\c1ccc2c(c1)OCCO2 1874427983 LQSQINWMYADYLL-PCLIKHOPSA-N 428.517 4.891 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1sccc1C 1874477504 CGMOCSCUKPRRQX-LPYMAVHISA-N 427.599 4.912 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(C)cc2)nnc1C(C)(C)C 1874483845 QMNQRPJVHIGUIL-ZVHZXABRSA-N 437.569 4.506 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OCCCO 1874606473 PUBMBOYXDYSDBC-QPJJXVBHSA-N 440.279 4.958 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)NCc1ccccc1 1874633019 IEPOPECVUSRMIS-JLHYYAGUSA-N 429.516 4.903 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 1875118738 LXIYYLUWTHIAQB-ACCUITESSA-N 431.444 4.956 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2cccc3cnccc23)CC1 1891001277 LPQAPEAJEDYKGF-UHFFFAOYSA-N 429.505 4.678 30 10 IJEE C=C(C(=O)O)[C@H](Cc1cccc(OC)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951602716 RVDUWZHBQZCGSX-VWLOTQADSA-N 443.499 4.786 30 10 IJEE C=C(C[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)OC 2004194710 RRWBCLONNWTIFK-RCZVLFRGSA-N 432.605 4.749 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccc(Cl)cc1Cl)c1cccs1 2033813246 MCNIXYOCLAKRAK-ZDUSSCGKSA-N 438.317 4.689 30 10 IJEE C=CCOc1ccc(C=CC(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)cc1OC 2040436708 WSZDQSQWESTNFD-UHFFFAOYSA-N 433.508 4.760 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(N3CCOCC3)c2)cc(Br)c1OC 2040709158 VNKMUMNJDPKSDQ-UHFFFAOYSA-N 446.341 4.589 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048504310 VDDXBEWTYNEKTK-IRXDYDNUSA-N 430.770 4.621 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2067829004 XURDYRSLOCKFJD-MCEYFSPLSA-N 446.632 4.524 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2078847147 PBOOHXRXLKLIGW-CYFREDJKSA-N 445.560 4.976 30 10 IJEE CCOc1ccc([C@H](C)n2nc(C3CCC3)c(C=NO)c2I)cc1 2080106082 SYUHFOVYETVBNW-LBPRGKRZSA-N 439.297 4.571 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OC)c1Br 2142370457 XCSYTJHKADNBCO-QAPCUYQASA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2cc(Br)cc(F)c2C#N)CC1 2163692391 OEQDDYOCKDKVOM-INIZCTEOSA-N 444.320 4.857 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(c3cc(Br)cc(F)c3C#N)C[C@H]2C1 2174812120 HGMNFMDODWUDDH-KGLIPLIRSA-N 438.341 4.543 30 10 IJEE C[C@H]1[C@@H](C(F)(F)F)N(c2ccc(C#N)c(Br)c2)CCN1C(=O)OC(C)(C)C 2174816867 ITWFQGWMUMXGBJ-NHYWBVRUSA-N 448.283 4.697 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3c(Cl)cccc3Br)c2)OC1(C)C 2178297991 QUGUECPKIBEAPQ-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C)C(=O)Nc1ccc(Br)cc1C#N 2181043467 BFVWKMJXRFSJSJ-UZLBHIALSA-N 436.350 4.733 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181114728 NGSPZVAPMNLALH-IOASZLSFSA-N 436.350 4.541 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2c(F)ccc(Br)c2F)C3)OC1(C)C 2194169303 WHRNHNHENBUHEG-CWTRNNRKSA-N 428.126 4.786 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@H](O)CC#C[Si](C)(C)C 2229097180 YXRPMIMOPLUBKC-ZWKOTPCHSA-N 440.454 4.517 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235733817 VCNDNXNCGLNMEX-XMSQKQJNSA-N 435.406 4.814 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)c2scc(Cl)c2Cl)s1 2237721412 WRZZPYOBKQOQAU-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C[C@](O)(C(=O)C1=CCC(F)(F)CC1)c1cc(Br)c(Br)s1 2281186798 TVHGDCQLPVWQBE-GFCCVEGCSA-N 430.108 4.795 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@H](O)C#Cc2cccc(Br)c2)C1 2296217624 WTIIGWXMFWBBHZ-LRXVAGHRSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](O)C#Cc1cccc(Br)c1)c1ccccc1 2296224237 IDIMLIFDRUCZFI-WOJBJXKFSA-N 430.342 4.818 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(C2(NC(=O)OC(C)(C)C)CC2)CC1 2296310040 DODSMEQGYOWQAP-GOSISDBHSA-N 433.390 4.616 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2305326183 SXWFXJCXSLHOMQ-OFVILXPXSA-N 428.573 4.698 30 10 IJEE C=CCN1C(=O)C(=Cc2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)SC1=S 2313653021 DWKRHTXUFUCPNH-UHFFFAOYSA-N 448.569 4.863 30 10 IJEE CC[C@](C)(COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317344819 PRQNKVPVZKTIIH-HSZRJFAPSA-N 432.370 4.798 30 10 IJEE CC[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2317347571 ZUKYXIITZMQQKY-AEFFLSMTSA-N 432.370 4.797 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2322278219 CVPBRTBNVQXKGW-UHFFFAOYSA-N 439.541 4.666 30 10 IJEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)NCc1ccccc1 2322527938 AIVMMAZVDRPBIA-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCOc1cc(C=NNc2cnn(C)c(=O)c2Cl)ccc1OCc1ccccc1Cl 2323222804 UBOVXRPDPUKNSP-UHFFFAOYSA-N 447.322 4.511 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323879983 BXZHVOTVPZPMLE-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325234764 KKWBXDYGJDNQET-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccccc1OC(C)C 2326421990 DCVNDCFHTZWHAN-UHFFFAOYSA-N 438.553 4.813 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2N=Cc2ccccc2Cl)cc1 2327396188 LZUDUSNCYUYDBO-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(OC)cc1OC 2327482187 GYXVTVSNPCYHDG-UHFFFAOYSA-N 448.495 4.537 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2327567086 BYHYUZRIIYGMOB-UHFFFAOYSA-N 427.961 4.737 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1sccc1C 2330221630 WKWOICHMEOHSCF-UHFFFAOYSA-N 433.647 4.614 30 10 IJEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1O 2330492788 WZCHBKRYWJDMMZ-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OC)nnc2-c2ccccc2)cc1 2330678525 GIZPJIFHDNYACC-UHFFFAOYSA-N 438.553 4.661 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)COc3ccccc3)c(OC)c2)c1 2330777902 HINUEMQVKIZJLS-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330961391 KAKWORWQCDMNMQ-IBGZPJMESA-N 428.945 4.966 30 10 IJEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccccc2)n[nH]1)c1ccc2ccccc2c1 21082247 HCAWLDJJFCSWOU-WGOQTCKBSA-N 430.537 4.915 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c1 34955419 LGCZPZCTEWKRKO-GHXNOFRVSA-N 448.471 4.836 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C=O)C[C@@H]2c3cccc4c3c(cn4C(=O)OC(C)(C)C)C[C@H]21 35636594 MQBMZVLATMHSLX-XFQXTVEOSA-N 440.540 4.889 30 10 IJEE in-vitro Cc1cc(C)n([C@@H](C)C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(=O)n1 40170962 CIGWHCXPQAPLAE-SFHVURJKSA-N 438.487 4.859 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc5c(c4)OCO5)c3C)C2=O)c1 41291330 IPIIXZQGNINUBR-JJFYIABZSA-N 430.412 4.568 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3C2=O)c1 41292922 VOKFZWBCOOXDAA-RMORIDSASA-N 432.428 4.548 30 10 IJEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 59023202 SRRMPDYETZDRAA-JISQKSEHSA-N 444.923 4.829 30 10 IJEE Oc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)c(C(F)(F)F)c1 59202522 NTSBMDHUEICWJQ-FOKLQQMPSA-N 429.236 4.761 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 62896936 RURQAQFKJCVVRY-UHFFFAOYSA-N 448.376 4.767 30 10 IJEE CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc3c(c2)OCCO3)cc1 72471578 WARSVMBJSPVAEQ-DFBJGRDBSA-N 442.519 4.588 30 10 IJEE O=S(=O)(c1ccc(/N=C/c2ccc(Br)s2)cc1)N1CCCCCC1 100037106 FEDMCPUCVJELFF-CPNJWEJPSA-N 427.389 4.826 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1OC 169940395 SNSBOYVRHMOQPS-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 169960228 HHSDSIFWPXSMME-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(O)cc2)ccc1F 169963745 OCUCTNAXKKBCFR-NRFANRHFSA-N 439.389 4.901 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccncc2)cc1 170019769 DPANQDKNJZLUQV-QHCPKHFHSA-N 439.471 4.745 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)cc1 170065390 YYYWMTJOWLRZIT-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)ccc2O1 170131807 QTQLIWFWSPFAAD-LFVRLGFBSA-N 445.446 4.638 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cccc(OC(C)C)c1 170153304 PEORSJGZEVGBBZ-QFIPXVFZSA-N 441.499 5.000 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccs2)c1 170153774 NLSRQQULQJCFAL-NRFANRHFSA-N 435.501 4.938 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)cc1 170174362 BPWQVWWCLHTQRV-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccncc2)c1 170200538 XVSAKLHUWHNSDX-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)cc1 170202329 ZWZWOVCQILNLLT-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccco1 170285062 RZLDFBMOBOJHAF-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccco1)c1ccc2c(c1)CCCO2 170290960 YUOLLYDXDLTKIV-NRFANRHFSA-N 437.398 4.666 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(OC)c(O)c1 170322369 CJADHQHUEKEMPD-FQEVSTJZSA-N 441.867 4.789 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cn(C)c3ccccc23)cc1 170394990 JGZPMEJUXBCEFI-XMMPIXPASA-N 438.483 4.970 30 10 IJEE N#C[C@@H](C(=O)c1ccc(F)cc1I)c1ccc(Br)cc1 236214702 UFPAHTXSVMYBTF-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE Cc1ccccc1CN1C(=O)C(=NNC(=S)Nc2c(C)cccc2C)c2ccccc21 254875628 AHUBDDXUXJYMJK-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(COc3ccccc3)cc2)CC1 438595722 BLJRYTXNNSWDJO-UHFFFAOYSA-N 427.504 4.652 30 10 IJEE C=C(C)[C@@H](NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(F)c(F)c1 476866555 GBVTWRUQXVIFIO-XMMPIXPASA-N 441.522 4.505 30 10 IJEE C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N(C)Cc1cc(C)on1 508895052 MXGZXEFQYATZLJ-UHFFFAOYSA-N 426.480 4.872 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 519510724 BTKFXVNWJVEWAY-OAQYLSRUSA-N 442.585 4.827 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccccc2C(=O)O)cc1 526517674 VTSDAHUAUMNIKC-HSZRJFAPSA-N 440.455 4.712 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC(C)=O)cc2)c1 526607182 SQDABIPMGDBVGA-DEOSSOPVSA-N 440.455 4.549 30 10 IJEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(O)c(Br)c1 526808149 OSMRJGHADNQEQT-NHDPSOOVSA-N 431.359 4.792 30 10 IJEE C=CCn1c(SCc2cnc3ccccn23)nnc1-c1ccc(Br)cc1 539632094 JCYQJGMGGQAYMC-UHFFFAOYSA-N 426.343 4.834 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 549220368 WUHBAMJQPICLGS-QGZVFWFLSA-N 433.940 4.657 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(c2nccs2)CC1 549273511 DRQLYQUOMWZAPE-UHFFFAOYSA-N 436.585 4.564 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 562024920 QKRMNNLCQNNJFF-SFHVURJKSA-N 449.628 4.772 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 564759467 YUSAFWTUTDLPNM-SDHOMARFSA-N 444.579 4.895 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 586258373 UKQAZVXHCFHCCU-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)n2Cc2ccccc2)c1 619817970 FLEGTHUWBPWEBU-GOTSBHOMSA-N 427.552 4.508 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\[C@@H](C)c1cccs1 733200106 ABVJRLKKJAACBK-LDVUSWCWSA-N 445.997 4.815 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739589887 FEFJCGIHTQJMCX-ZDUSSCGKSA-N 441.896 4.932 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1sc2cccc(Cl)c2c1Cl 787059249 MUWOJXJZDGWETQ-GFCCVEGCSA-N 448.287 4.755 30 10 IJEE C=CC[C@@H](CCc1ccccc1)OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 797564621 LFBKUBDLCZMQEK-NRFANRHFSA-N 427.491 4.938 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C 804464949 XKCUXTZPFLQWGY-LEWJYISDSA-N 434.577 4.540 30 10 IJEE C[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918544451 GHRXDCMPJDVFRP-UEAMBXKFSA-N 442.585 4.505 30 10 IJEE CC(=NNc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1)c1ccc(C)cc1 1084344507 XLVFKOOFHADURV-UHFFFAOYSA-N 444.358 4.687 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCO2 1124210468 CHFVTGWHYJUJBX-UHFFFAOYSA-N 444.487 4.786 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](C(C)C)N2CCC(C)CC2)s1 1125041943 DFCVZWCZAWYXMD-QGZVFWFLSA-N 430.083 4.711 30 10 IJEE C#CCOc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1126295883 XIOSHCBYXKVFBZ-UHFFFAOYSA-N 425.463 4.620 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 1127499792 DTLQUEPDYLGLEE-CYBMUJFWSA-N 433.733 4.933 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(I)cc(C)c2C)cc1 1128145407 PWGMMCNXTNOLPI-UHFFFAOYSA-N 436.314 4.990 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C(C)C)C2CC2)c1 1131487629 YVXASVRWNQBZFR-JOCHJYFZSA-N 447.000 4.886 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 1136986057 FBAOPWRMWIKCPG-QFIPXVFZSA-N 442.462 4.889 30 10 IJEE CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1163307258 CCXYVWBNHQTKKQ-UHFFFAOYSA-N 438.871 4.935 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1c(Cl)cccc1Cl 1163571244 RMIHBLAJRZPFIG-HNNXBMFYSA-N 429.344 4.542 30 10 IJEE Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C#N)cc1F 1166903123 GJKDOUAJMDHJRJ-UHFFFAOYSA-N 442.082 4.548 30 10 IJEE C#CCN(C(=O)Cn1c(SC(F)F)nc2ccccc21)[C@@H]1CCCc2ccccc21 1178954616 NZPQBMABHROGBX-LJQANCHMSA-N 425.504 4.890 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc3nc(O)oc3c2)cc1OC 1179277832 NNTVLBKQZVWZGC-LBPRGKRZSA-N 433.302 4.720 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 1180150765 PIUHOAPWSBZHRA-HKBQPEDESA-N 438.455 4.813 30 10 IJEE Cc1ccc(C2(CNS(=O)(=O)c3cccc(Br)c3C#N)CCCC2)c(C)c1 1190807346 AFGCECYRZOCLQT-UHFFFAOYSA-N 447.398 4.728 30 10 IJEE C=C(C)[C@@H](NCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1 1193574099 DFFHDPGUNUQXKK-ZUOKHONESA-N 428.401 4.948 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 1199787360 RELAXQVHIVYAHT-QGZVFWFLSA-N 433.430 4.587 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccccc2CN2CCCC2=O)cc1OC 1199917392 WYXKRTADMKWCSQ-UHFFFAOYSA-N 445.357 4.757 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1C(F)(F)F 1201178266 FPUPLIJBZLIXFA-AWEZNQCLSA-N 442.363 4.996 30 10 IJEE C=CCc1cc(CNC(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc(OC)c1OC 1221553897 WGYAWURXPMKYNC-PKTZIBPZSA-N 438.568 4.820 30 10 IJEE N#Cc1csc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)c1 1264527405 HHCWNNFOHQGVGW-GOSISDBHSA-N 427.982 4.864 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 1265223673 ALUYLKKRMFELCF-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1cccnc1OC1CCCC1 1286281123 HPKUTQWGINAANO-IBGZPJMESA-N 429.568 4.730 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCC[C@H](C)C1 1286281920 JOEDFRWBGBSZBR-FCHUYYIVSA-N 437.632 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286295718 KIJQTZLXWSMPNN-OGNFBWPZSA-N 448.489 4.617 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1286356942 WEYQNIBNYHCVNE-XMMPIXPASA-N 449.643 4.671 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCCC1(C)C 1286365739 IKQWBSKAYUJDFK-HNNXBMFYSA-N 431.378 4.612 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C/C(C)=C/c1ccccc1 1286501566 YAWPTNWZVFXWRT-OBGWFSINSA-N 438.000 4.900 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C1CCC1 1286593263 LJTYTUPGZKQTAD-PMACEKPBSA-N 429.609 4.738 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Br)s1 1286594672 YDHJTTODBQBCLJ-UHFFFAOYSA-N 438.420 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1286672687 HAZVYQSQAUMRJY-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](c2ccco2)C1 1286673920 JHKADJYTWZFEDC-QFIPXVFZSA-N 436.556 4.673 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccccc1 1286677643 GTZUGBQLOVPIEP-XZOQPEGZSA-N 435.616 4.504 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C)CC1 1286686426 FTLQJERAJCIWAP-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1286687049 MGKSZRBLXQTJLB-LJQANCHMSA-N 445.007 4.670 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCSC1(C)C 1286758404 MHCGPJUPTGGCSK-YLJYHZDGSA-N 426.586 4.501 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCSCc2ccccc2F)C1 1286809640 KGCOEBZIYPRGAH-HXUWFJFHSA-N 430.593 4.790 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1288557494 DOCDVZSRBWRKDR-ZWKOTPCHSA-N 435.597 4.761 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 1289587415 WFVMQXSIQJNMCO-PVQQOCSKSA-N 441.553 4.930 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)cc1 1290546152 UYZGSGCPYQWHFB-UHFFFAOYSA-N 428.464 4.733 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(C)C)cs2)CCS1 1293540571 FSCUEUQNOZCZKK-GOSISDBHSA-N 438.626 4.777 30 10 IJEE C=CCN(C)CCN(CC)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1297379504 OLKQCXPHXLJDFT-UHFFFAOYSA-N 436.987 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC(C)(F)F 1300282775 QBMNJHSHWDBRNY-NSHDSACASA-N 431.712 4.864 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccncc1Cl 1300611917 OHKBTCFSZIXWAD-UHFFFAOYSA-N 444.764 4.572 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(OCCc2ccccc2)CC1 1300871366 BOJFQAVXPOOCHX-LADGPHEKSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1301194358 JSSNKUGVPJUXIU-UHFFFAOYSA-N 448.615 4.852 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1301231621 LKIRUBBHCDIWOB-OAQYLSRUSA-N 449.603 4.688 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC(C)(C)CN1CCCC1 1301342160 YWSSYHUMPPTJDO-UHFFFAOYSA-N 434.632 4.762 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1301351345 QBZIQXRUKRVLDI-QGZVFWFLSA-N 443.567 4.743 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)C1CCN(CCC)CC1 1301468663 IRURXHGXQPJIDY-UHFFFAOYSA-N 425.621 4.786 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](OCCC)CC3)nnc2C(C)(C)C)cc1 1301530277 RJRYNPNNGWFXHG-OAQYLSRUSA-N 426.605 4.974 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2cccnc2)C(C)C)C1 1301545935 NTSPAPIVIYQDAE-UPVQGACJSA-N 431.584 4.870 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1302118253 ARFQSFPNQVYRCK-REWPJTCUSA-N 439.579 4.589 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nc3cc(Cl)ccc3s2)o1 1304293230 CBAVTXJBFMOFEN-LBPRGKRZSA-N 426.933 4.896 30 10 IJEE C=CCN(CC(=O)N(C)[C@@H](C)c1ccccc1OC)Cc1cc(Br)ccc1F 1307448143 NYQAEFSJCVNCPP-INIZCTEOSA-N 449.364 4.804 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)c2cccc3cccnc23)n(-c2cccc(F)c2)c1C 1307731209 BBBCYXXXSUOTLP-UHFFFAOYSA-N 427.483 4.728 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2ccc(CC)c(Cl)c2)CC1 1307761653 JLVVRAOJLJLQBM-GOSISDBHSA-N 432.033 4.689 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1 1309459831 IENAARAIALSILS-QGZVFWFLSA-N 425.381 4.669 30 10 IJEE C#CCOc1cccc(NC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1 1310303457 VRFBDMJESSGCPJ-UHFFFAOYSA-N 429.851 4.680 30 10 IJEE C[C@@](NC(=O)N[C@H](CO)c1ccccc1C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F 1311269806 GSBRUXRBCWWOBE-NVXWUHKLSA-N 438.343 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1312614858 DNGOFLJNOGFNRB-WDSOQIARSA-N 426.479 4.548 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1nc2c(s1)C[C@@H](C)CC2)c1ccc(Br)cc1 1312937349 PJIKQXBDJKSXIX-YOEHRIQHSA-N 446.414 4.936 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(OC(F)F)c(OC)c2)s1 1353463359 CWUCKBITVMJCQE-UHFFFAOYSA-N 448.944 4.765 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Sc4nc(C)cs4)cc3)cc2C1=O 1356048378 LTJSANFKQCHHRO-UHFFFAOYSA-N 435.530 4.637 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1358935263 BTYLDMVIKXQPKN-XLIONFOSSA-N 431.005 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1359112178 AXRLAGFQPFWLDM-UHFFFAOYSA-N 436.648 4.550 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC1(C)C 1359112443 JYRDMDVIAOOIJR-IBGZPJMESA-N 431.625 4.841 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 1359157249 DCSQLXSMWUXDPR-DNVCBOLYSA-N 436.934 4.790 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)C)CC1 1359185590 CBUQGIGOTSWULB-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCSC(F)(F)F)C1CC1 1359247023 QHLMCOUKNIALNO-ZDUSSCGKSA-N 430.471 4.965 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1nc(C)cs1)C1CC1 1359247546 GERJEAWGIPTERP-UHFFFAOYSA-N 436.404 4.737 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1ccncc1Cl 1359254498 SZZFVHVTQUSYOD-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H]1CCCN(C(C)C)C1 1359255542 BZJCQLBKXNLLNN-ZJSXRUAMSA-N 434.632 4.976 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCCCC2)C1 1359286997 FXCKYYVKHZJXSV-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3cc(OC)c(OC)cc3c2)CCCN1C(=O)OC(C)(C)C 1437887706 IAAVNBYNJLXUIQ-VWLOTQADSA-N 438.524 4.589 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(SC(F)(F)F)c3)CC2=O)cc1Cl 1438201186 FHFVNASKGOIBCE-LBPRGKRZSA-N 439.846 4.815 30 10 IJEE C=CCC[C@H](C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 1443633956 PGDMDTQTDFAKTN-DEOSSOPVSA-N 426.004 4.718 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 1458780120 YXHQVKIDSGHPAJ-SFHVURJKSA-N 429.929 4.800 30 10 IJEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3C(C)(C)C#N)CC2)c(Cl)c1 1459615145 GJWPPERQMQNMTH-IBGZPJMESA-N 439.987 4.561 30 10 IJEE C#C[C@H](NC(=O)c1c(F)ccc(C)c1Br)c1ccc(Br)cc1 1460783088 BJNYNQKBVUSJID-AWEZNQCLSA-N 425.095 4.763 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c1 1465535733 UZBJWHHQAOVOMS-NRFANRHFSA-N 429.561 4.896 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NC3(Cc4cccc(F)c4)CCOCC3)c2)nc1 1465731427 IDRRTCXELKGGNE-UHFFFAOYSA-N 446.482 4.798 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1)c1ccccc1 1469383256 HQVHNBQTXVNOHM-QHCPKHFHSA-N 446.572 4.825 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1471224467 JWOTWBHYAFSVMR-UHFFFAOYSA-N 429.467 4.657 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@H]2c2nc3ccccc3n2C)cc1C 1473233272 ICHIKMRYHUJUKC-DEOSSOPVSA-N 429.568 4.664 30 10 IJEE COc1ccc2c(c1)CCC[C@H]2CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1476323545 BJQUVZJHBWOLDT-INIZCTEOSA-N 435.915 4.648 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC 1476483737 VTMJOHTVBVQMAR-GOSISDBHSA-N 433.474 4.550 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)n1 1492636733 FRUUBYDJZHPHLD-WAIKUNEKSA-N 431.569 4.515 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C)CC1 1507563224 SCZJKKDVPILGAW-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCCCCn1c(N(C)[C@@H](C)c2cc(F)ccc2F)nnc1[C@@]1(OC(C)C)CCOC1 1507576496 YHKHTZWVJYQVBK-MHECFPHRSA-N 446.542 4.598 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)C1 1507595604 SWPKQZWOLGZKQL-AWEZNQCLSA-N 425.385 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCCN(C)CC(F)(F)F 1507817706 PDRMRGBRAMJOAR-UHFFFAOYSA-N 429.918 4.885 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1507837163 JRWWIKCVKBXVDW-LJQANCHMSA-N 441.595 4.555 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCC2(COC)CCCC2)CC1 1507892623 UYMHVGGLGNEAQC-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1507912156 DZPKYXGALZYXRO-UHFFFAOYSA-N 442.608 4.617 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC2(CCC2)C1 1507925601 FVYNXPLFWMHJKZ-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507944633 UWIAOKGIACKGTG-UHFFFAOYSA-N 449.624 4.806 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCc1ccsc1 1507976087 ZSJCZKBNHFMTAD-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1c(CC)noc1C)C1CC1 1507987530 FNGOYLQDROFOHF-MRXNPFEDSA-N 425.508 4.619 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(F)CCC1)C1CC1 1507992864 GEHYOHMSQQQKOT-SFHVURJKSA-N 447.599 4.830 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(c2cccs2)CC1 1508066487 SGXWDXYROBHGIZ-UHFFFAOYSA-N 432.018 4.798 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@H](C(C)C)C1 1508166461 AAPPSNGBBURXOD-NRFANRHFSA-N 446.686 4.971 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)[C@@H]1C 1512285211 FLUNPOGEKFTVDL-CHWSQXEVSA-N 432.475 4.575 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1c2ccccc2C(=O)OC1(C)C 1520236170 IIKSMYOCEBKIRU-LJQANCHMSA-N 446.316 4.836 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1521481964 ZNHRWENFXUCAGL-SJORKVTESA-N 436.364 4.835 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1521483350 CUWJXMXLKLFFFI-UHFFFAOYSA-N 438.524 4.806 30 10 IJEE Cc1cc(F)ccc1N(CC#N)C(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 1534808615 COMQUUYALVILTR-AWEZNQCLSA-N 444.557 4.640 30 10 IJEE Cc1cc(NC(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)nn1CCC#N 1535445611 BTJDIYRCQRIWOA-IBGZPJMESA-N 431.581 4.688 30 10 IJEE C=CCN(C(=O)Cc1c(C)nc2ccccc2c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1538619025 UVSNZLNYGOMMAB-VWLOTQADSA-N 430.548 4.583 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cccnc1SCc1c(C)noc1C)c1ccccc1 1539187421 XDQIVLOENUJOEX-GDLZYMKVSA-N 427.551 4.832 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(CC)CCC1 1539307403 RELOTZDXBBJFQY-UHFFFAOYSA-N 434.584 4.784 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN1CC 1539649876 FDFKGAAGJODCEX-VXKWHMMOSA-N 425.621 4.922 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(Cc1ccnn1C)C1CC1 1539717592 JGQDZWZTLWHCEB-UHFFFAOYSA-N 447.370 4.643 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 1539736153 TZKQLWZJBJGUHC-UHFFFAOYSA-N 443.473 4.785 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2Cl)CC1 1539836458 UJRGXSNIBHBHNZ-UHFFFAOYSA-N 432.753 4.894 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2cc(Br)cs2)CC1 1539881859 MOLIYPGXTALTPV-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1539940411 QGWROHDQYPVNLU-DEOSSOPVSA-N 431.584 4.953 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540142552 MKDGVEGUTQTJMG-RCLSDMTESA-N 430.618 4.977 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1540142570 MKDGVEGUTQTJMG-WFXMLNOXSA-N 430.618 4.977 30 10 IJEE Cc1ccoc1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1542098966 DBZGYHCIEPMYDR-MRXNPFEDSA-N 425.920 4.761 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)OCC 1544338741 IRWZEFSRDBMLOJ-MRXNPFEDSA-N 442.821 4.697 30 10 IJEE CCCC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1546928876 BQTGYSOBJLRPPM-XLIONFOSSA-N 443.979 4.771 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Cl)s1)[C@@H]1CCSC1 1552911095 DSCDWOKWNFEOHO-MRXNPFEDSA-N 430.002 4.716 30 10 IJEE C#C[C@H](CC)NC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1556484608 CIEAYGVEXFUXOH-LEWJYISDSA-N 444.575 4.956 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 1559555714 ICHKTSOVONMTDB-SFHVURJKSA-N 435.597 4.925 30 10 IJEE COc1cc(CN2CCN(Cc3ccccc3)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 1559907229 CKPPMJMPNIEQFQ-JOCHJYFZSA-N 441.575 4.852 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1nc2ccc(I)cc2s1 1562666175 OKNGQJAYHFWWSK-UHFFFAOYSA-N 449.273 4.557 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 1563700851 DQXCPXYAZKCROQ-KRWDZBQOSA-N 430.483 4.852 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](CC)Oc1ccccc1Cl)c1ccc(Br)cc1 1564247817 DEYSCMZYPZKATK-WMZOPIPTSA-N 435.749 4.934 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1585537464 CFQQMUDXYCOENE-UHFFFAOYSA-N 439.487 4.728 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOC1CCCCCC1 1587916065 ZTZZWFNUQDQSJJ-SFHVURJKSA-N 430.980 4.880 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1588063100 IVSFJFDFNGCJLN-INIZCTEOSA-N 425.367 4.733 30 10 IJEE C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c2C#N 1588270542 GFIDOMZTQZRYFN-KGLIPLIRSA-N 445.610 4.635 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCCC1 1589150722 JNGRGDTWINQPDT-BKMJKUGQSA-N 435.616 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN(C(C)C)C1 1589177385 IWVJZOIDOFVPAW-MHECFPHRSA-N 443.998 4.850 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCCSC 1589295672 JHEFHRVFSVLHBC-AWEZNQCLSA-N 443.386 4.655 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccoc1C 1589570925 XKGQPJQEDXJDOU-XUZZJYLKSA-N 436.556 4.685 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC(c2ccc(O)cc2)CC1 1593757451 FLQUNVQGFPEMBQ-UHFFFAOYSA-N 438.597 4.613 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CCc2ccc(OC)c(OC)c2OC)CC1 1594236757 HWTYVPRRPGTNKR-UHFFFAOYSA-N 440.588 4.607 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1594566667 JKOCKLBQSIXIGS-UYAOXDASSA-N 427.980 4.597 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cccs2)CC1 1594680919 WVGZFKWTLVOHPQ-GOSISDBHSA-N 441.576 4.912 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C1CCCCC1)N(C)C 1594857765 POUPZOPZGQKTCW-WIYYLYMNSA-N 429.584 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCn2ccnc2C1 1595228802 JIMHFIVUGXVAQN-HXUWFJFHSA-N 434.613 4.516 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1CCCCC1 1595234154 IOUZILKTXFJHPG-UHFFFAOYSA-N 444.583 4.741 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCc4c3cccc4C(F)(F)F)CC2=O)cc1Cl 1598353674 GYHCGUXVWXYGBY-CQSZACIVSA-N 447.844 4.563 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1 1606965904 BDTALYOALDTMQJ-CIAFKFPVSA-N 445.652 4.514 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccco1 1611747914 DMRHIYZLQLWVQA-OPAMFIHVSA-N 425.920 4.843 30 10 IJEE C=CC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1623994748 YCYGDAVQCNSOTH-UHFFFAOYSA-N 437.359 4.709 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1 1629454584 AGFOCBMXECLLPQ-UHFFFAOYSA-N 438.528 4.769 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1NCCC 1631706040 ZBJCBMBBKQHYDG-MRXNPFEDSA-N 427.467 4.773 30 10 IJEE C#CCOc1ccc(NC(=O)c2cc(Nc3nccc(C(F)(F)F)n3)ccc2C)cc1 1633505502 PKXXPFZZSZCUIS-UHFFFAOYSA-N 426.398 4.812 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 1633643089 APBPLWARMPLXKM-FHWLQOOXSA-N 440.943 4.540 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1635835732 UNAVNFZGJNNNRM-NRFANRHFSA-N 426.582 4.561 30 10 IJEE C=CCn1c(Sc2nc(C)nc(C)c2Br)nc2cc(Cl)ccc2c1=O 1641962000 RNKRFSHUVDKMIP-UHFFFAOYSA-N 437.750 4.556 30 10 IJEE C#CCC1(NC(=O)[C@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 1645146665 FWPLEGKYMHVJEA-VWLOTQADSA-N 442.559 4.922 30 10 IJEE C=CCn1c(SCC(=O)NCCCC2CCCCC2)nc2cc(Cl)ccc2c1=O 1651552393 FHDQPKJFMLJXNT-UHFFFAOYSA-N 434.005 4.805 30 10 IJEE C=CCOc1ccc(CN(Cc2sc(N3CCOCC3)nc2Cl)C(C)(C)C)cc1 1651814812 RKJDADAAMSFXDK-UHFFFAOYSA-N 436.021 4.999 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2cc(Br)cc(F)c2C1 1653040737 HHVCFRPATSPZRE-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)Cc1cccc(Br)c1C)c1ccc(F)c(F)c1 1655031513 OMMHFYXRRDGZJJ-SFHVURJKSA-N 430.314 4.773 30 10 IJEE COC(=O)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)CC1CC1 1658539454 CFKDWFAPCBPPHH-INIZCTEOSA-N 427.888 4.715 30 10 IJEE CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(C#N)c(F)c1 1660813466 AEXIZVPVEMSSOU-CYBMUJFWSA-N 425.323 4.622 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCC[C@H]3[C@H](C)NC(=O)OC(C)(C)C)cc21 1664929993 ZETPISKPOGSMBN-LPHOPBHVSA-N 427.549 4.522 30 10 IJEE COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)CC2 1665855256 GPDIIPSBCVJENU-MRXNPFEDSA-N 444.491 4.914 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C12CCC2 1670293934 DJYUNHOXACCBQQ-JKSUJKDBSA-N 432.590 4.875 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(NC(C)=O)c(OC)c1 1670845534 QIIHDHBUSJXGAZ-UHFFFAOYSA-N 434.290 4.625 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1672301701 OEMQXAMKHJFLCA-UHFFFAOYSA-N 426.217 4.856 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)cc1 1673819682 KLRCAWOBVAMWMV-MRXNPFEDSA-N 439.943 4.972 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)c1 1674221600 PIBSPPAAJZILOL-JOCHJYFZSA-N 445.357 4.920 30 10 IJEE C#C[C@@H](NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1)c1ccc(Br)cc1 1679183652 GUPZQCAEERNGMZ-OXQOHEQNSA-N 428.374 4.552 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C(C)=O)ccc2Br)cc(OC)c1OC 1680102094 GVVDOZUKJYTUKI-UHFFFAOYSA-N 447.329 4.719 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](O)COc1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1680628906 GLRXXLJQZJBZGK-FPOVZHCZSA-N 436.474 4.760 30 10 IJEE C#C[C@@H](NC(=O)NCCc1cnc(SC2CCCC2)nc1)c1ccc(Cl)cc1F 1681539735 CKBZLGLKASWBMN-LJQANCHMSA-N 432.952 4.520 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 1683043414 ZHOBAKKRKGTSFF-UHFFFAOYSA-N 437.625 4.715 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 1684428180 BZJGFQNGEPDTAZ-JKLQHZFJSA-N 440.588 4.551 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN(CC(C)C)C1 1689946207 NLUSJYAIAUVJKC-UXHICEINSA-N 444.023 4.509 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCOC1 1690059717 WJDWNYWKQFMRIN-MOPGFXCFSA-N 430.980 4.574 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 1690174882 LGYHYUUUMCLISF-SFHVURJKSA-N 437.613 4.758 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC1CC1 1690241351 RERCFIMETBKAMG-LAUBAEHRSA-N 430.980 4.825 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690276101 JFIVVXXCRKJOJA-JOCHJYFZSA-N 447.583 4.568 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)[C@H]1C 1690497927 YOUYRCUSNAZNEH-HKBOAZHASA-N 444.645 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1ncc(CC)s1 1690578513 ZVZGOWBBLYWTDZ-QGZVFWFLSA-N 443.642 4.688 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1690749043 PHBIWTZBKIAKIR-UHFFFAOYSA-N 447.530 4.838 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1 1693649104 HNXFKCMCTFMHPJ-IBGZPJMESA-N 441.023 4.993 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC2(CCCCC2)O1 1705480586 TXWMEGBWTVGTLI-YLJYHZDGSA-N 444.526 4.886 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1=CCCCC1 1705613524 IPVAFNXPFOXACN-NRFANRHFSA-N 441.620 4.743 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1705624711 MHOFKGUQLRCGRV-CVEARBPZSA-N 440.897 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCN1CCCC[C@@H]1CC 1705669459 NDAAUDDPVHSNEB-XUZZJYLKSA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCSCC(C)C 1705670694 FPKAPDDFWORNEY-JOCHJYFZSA-N 433.021 4.988 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CC(C)C)C1 1705697233 UEGKHIDZQFNHDE-VCOUNFBDSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1 1705702442 MODBJHJBRFGYLQ-PGRDOPGGSA-N 430.568 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705792012 KOHWTACQUAHVJD-UHFFFAOYSA-N 437.632 4.822 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1705792636 XGHPIWMXZTZCFD-UHFFFAOYSA-N 428.600 4.720 30 10 IJEE C=CCCCn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1705824237 KEEWRBYNLODDBI-JOCHJYFZSA-N 449.643 4.845 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1705826443 WBIRDCAIUHYMJE-NRFANRHFSA-N 442.947 4.671 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@H]1C 1705867215 JUYGOPULYLMQOH-HMXCVIKNSA-N 430.618 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1(O)CCC1 1705870756 XFTCIRPHTPZBMZ-UHFFFAOYSA-N 435.597 4.861 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1705892270 RJHFZWDUBIGDEL-IBGZPJMESA-N 428.487 4.995 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCc2ccccc21 1705947718 VIOVEUNRQBIYEE-HXUWFJFHSA-N 425.627 4.677 30 10 IJEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1Cc1nc2cc(Cl)ccc2s1 1706396516 DRCARRQCRQAAJG-UHFFFAOYSA-N 428.993 4.918 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C 1710402401 BTARKIHEFPACNC-DBXWQHBBSA-N 427.618 4.598 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1scnc1C 1722308085 FYOHOZYJVDGPBT-QGZVFWFLSA-N 427.549 4.762 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@@H]1C 1722313645 CLEJWVBMDZHXPR-PMACEKPBSA-N 446.599 4.664 30 10 IJEE C#CCCCn1c(CC(C)C)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1722336435 KYIFPLQXVHILFJ-UHFFFAOYSA-N 437.588 4.800 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCSc1nccs1 1722390979 YZLGHDDOGKCBEK-UHFFFAOYSA-N 442.013 4.700 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC[C@@H](F)C1 1722401877 KZRXAQAYSGKUKN-PKOBYXMFSA-N 430.980 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCO[C@@H]1CCOC1 1722503907 WVMKSAQTQYCUOG-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(-n2cccn2)c1 1722504110 ZEKIOOAFHRNOBG-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CCC1CC1 1722505927 BLYHHSZGTVQZOE-FDDCHVKYSA-N 430.543 4.755 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCOC(C)(C)C 1722524563 BVTWXSICRHXMFG-UHFFFAOYSA-N 427.376 4.991 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CCC2)C1 1722530818 JXGGAPODRMZFOC-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1722576631 RKFLKOFASMSADW-AOMKIAJQSA-N 445.405 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCSC[C@H]1C 1722590348 YZQVKDMXYGABEZ-GOSISDBHSA-N 430.618 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2nccs2)C1 1722591026 DGDFYXYDKJKFJS-HXUWFJFHSA-N 437.613 4.814 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 1722596934 PHWPFCCZIPAHLD-HXUWFJFHSA-N 431.575 4.614 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](COC)C1 1722597232 IXNBZGADQNHECY-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(c3ncccc3F)CC2)nnc1C(C)(C)C)c1ccccc1 1722597873 XCMHZZATMIYFTD-NRFANRHFSA-N 448.590 4.796 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](CCOC)C1 1722606518 AUVOETNRGHSQMT-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1722684045 OSOQUEIDEUKSAQ-LJQANCHMSA-N 429.996 4.697 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722689638 YYCRSPMBWAJIFA-GOSISDBHSA-N 443.617 4.510 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722741720 UVJRJTAOCWNVFI-IBGZPJMESA-N 436.572 4.642 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OC)CCCC1 1740539174 BIJDLISDQZPNJI-IBGZPJMESA-N 434.540 4.534 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CCC 1740575728 QCPYNDMSYMJZCP-LJQANCHMSA-N 431.625 4.821 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCN(C(C)C)CC1 1740595290 QEGAXRGRTLCDIA-UHFFFAOYSA-N 437.632 4.623 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1CCOCC1 1740663544 MBRFGQGFTCOCNY-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740868247 HJOQEIDIAVAWEM-DZFGPLHGSA-N 442.007 4.843 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740881822 RIYOSHHPWMCOIH-VGOFRKELSA-N 449.020 4.574 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1740945553 YPKNWJFPLASXAV-MSOLQXFVSA-N 431.378 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OC)CCCCC1 1748650591 ANUQTGZDPGBHGE-QZTJIDSGSA-N 426.630 4.939 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CC1)C1CCC1 1748750459 HKSCALVKRXATOM-FQEVSTJZSA-N 441.620 4.575 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCCN1CCC 1748940273 GZEFIFUPWVLYET-REWPJTCUSA-N 425.596 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@@H](c1ccco1)N(CC)CC 1749060793 CPKUANYTWHIELD-BKMJKUGQSA-N 431.584 4.922 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1749218672 SHCAMVORUSWOBI-FXAWDEMLSA-N 445.405 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)c2c(C)noc2C)CC1 1749294036 LFCDQRNHXGKAOO-INIZCTEOSA-N 437.544 4.527 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1749309825 OMZDGDOTIXUZBP-QHCPKHFHSA-N 433.600 4.896 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1749414550 GSCUKJJBBVXWHE-YSIASYRMSA-N 440.588 4.952 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749433195 ALGKTQZSIBBARP-LJQANCHMSA-N 427.574 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1c(C)nn(C)c1C 1749552570 GJPHTWPYMOPWFI-UHFFFAOYSA-N 438.626 4.583 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2sccc2c1 1749561455 NUQHKPLREMGCQT-DEOSSOPVSA-N 438.597 4.760 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCSC1 1749591558 VCGVMMVBZCJIIX-IBGZPJMESA-N 426.561 4.589 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760276039 RFCRNYRIGWKEAB-QGZVFWFLSA-N 447.446 4.946 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(C)C)C1 1760303076 AFKFEXWOYMCESP-MRXNPFEDSA-N 449.393 4.743 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCC(F)F 1760324525 KYQXYUITAZVXRM-PGRDOPGGSA-N 434.531 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@@H](C)C1 1760326825 YHMOTDIFUVWHML-MSYCTHLASA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(F)c(Cl)c1 1760340811 PBNQRNNCHIXHPT-UHFFFAOYSA-N 447.967 4.513 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760348853 OIBZLTQXCCKRJF-GUDVDZBRSA-N 429.634 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760406845 NGUNRIPLQGZHKV-UHFFFAOYSA-N 425.625 4.552 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760423288 VHUJNECMEQIAHJ-NRFANRHFSA-N 437.632 4.904 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1CC(F)(F)Br 1760478143 XBVIFPLCAOSXJK-AWEZNQCLSA-N 443.336 4.981 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C1CC(C(C)(C)C)C1 1760495250 IUKUSBXHKYQZII-UHFFFAOYSA-N 435.620 4.628 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1760508337 VXTZKMJHBILPDV-MAUKXSAKSA-N 433.394 4.843 30 10 IJEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1760511505 NEYCWTKQVRMABE-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(F)(F)c2ccccc2)C1 1760537888 SOMXCYUZIDHNFO-SFHVURJKSA-N 445.901 4.567 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(C(F)(F)F)c1 1761358845 GUEPVAIBGGSQAQ-CYBMUJFWSA-N 434.853 4.799 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OC)cc2)cc1 1862392251 SPAHKBRVIGQNRD-VWNXMTODSA-N 449.547 4.795 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862438318 LGGADXYGOJVYNZ-NRFANRHFSA-N 441.911 4.900 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862446342 QAXPZBNUFWEPHL-NRFANRHFSA-N 438.911 4.826 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862481052 WABGRDYIJVPRQS-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc3cc[nH]c3c2)c1 1862491015 JPHHLZSJUNDPAP-QHCPKHFHSA-N 432.520 4.526 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2c(c1)OCCO2 1862549730 VTWLQXPCWJGZRR-DEOSSOPVSA-N 447.531 4.571 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2Cl)c1 1862560476 ILWWSBHWSDXWIM-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862583249 WMULGWXAINQRCU-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)cc1 1862614042 WLQWQQCOFYZWOR-HSZRJFAPSA-N 442.515 4.863 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862679723 LBNNELBYGDSLQL-QHCPKHFHSA-N 436.527 4.977 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1)c1ccc2ccccc2c1 1862713705 UPKZMZBBCSVMOI-XMMPIXPASA-N 437.499 4.705 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862804598 GQLWWNJSDNVEAU-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1 1862931344 TYARTRRCOYMKBM-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc(O)c3ccc(Cl)c(C)c3n2)c(C#N)c1C 1866508313 DOMRPDCINWSSKK-UHFFFAOYSA-N 429.885 4.573 30 10 IJEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)C(c1ccccc1)c1ccccc1 1870139584 YONLKBTXPUUCEC-UHFFFAOYSA-N 427.895 4.871 30 10 IJEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2cccc(Br)c2)CC1 1870154072 KQAHTOJDHZWMRZ-UHFFFAOYSA-N 430.350 4.837 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cn1CC=C 1870596479 FWJMNCVYRSKDCC-UHFFFAOYSA-N 449.595 4.523 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1cccc(C)c1C 1871237510 PMPLWVURRLFSEU-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCCN(CC)CC)CO3)C1=O 1871349491 OMPBVBBLQDAEJE-JLPGSUDCSA-N 436.552 4.585 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C[C@H](C)O1 1871395334 OARVIZJMKPNOIM-VMRHIEKHSA-N 434.319 4.924 30 10 IJEE Cc1cc(O)c(CN2CCC(CO)CC2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871396942 GAEGKJWISGARNS-JMIUGGIZSA-N 448.346 4.828 30 10 IJEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)c1 1871400401 ASEXBRFMHPSIHH-VRHSPDTKSA-N 433.435 4.857 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1cccc(Cl)c1 1872704553 MEPGIIUCFYSWLX-UHFFFAOYSA-N 436.940 4.611 30 10 IJEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1873167797 XUXMNXNVSQVOHR-UHFFFAOYSA-N 445.950 4.803 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OC(C)C)cc2)=C(c2cccc3ccccc23)C1=O 1873182706 ACTDSKQSKGGTKQ-UHFFFAOYSA-N 440.499 4.783 30 10 IJEE COc1cccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1873209753 OVAVBCSFFMDCKR-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2cccc(Br)c2)C1=O 1873228645 VRTXFQLRBMVENC-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCc3ccccc3)cc1)n2CC 1873613078 WHYLLWKJCMCHDS-UHFFFAOYSA-N 427.508 4.880 30 10 IJEE CCCCCCCCNC(=O)CCCC(=O)N1CCN(c2nsc3ccccc23)CC1 1873886330 QLMCJBIUFTWVMB-UHFFFAOYSA-N 444.645 4.592 30 10 IJEE Cc1ccccc1/C=N/n1c(CCCOc2ccccc2Cl)nnc1SCCCO 1874214213 BADBCZUZKADVOR-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874230130 TZUAZEMVELVNKN-SRZZPIQSSA-N 431.905 4.721 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2F)c(C)c1 1874514910 LVUURHKKHSLDMH-OPEKNORGSA-N 443.523 4.910 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cccc2ccccc12 1874524278 GTQZXEPUVWFDGX-MFKUBSTISA-N 429.549 4.915 30 10 IJEE COc1ccc(OCc2nnc(S)n2/N=C/c2ccc(O)c(Cl)c2)c(C(C)(C)C)c1 1874571063 UWEWKAASBBFRII-FOKLQQMPSA-N 446.960 4.693 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c1 1874581084 VZELLBWSTOYHJD-LLLGYDHXSA-N 445.515 4.856 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)OCO2)NCc1ccccc1 1874583130 XSOJSGPUZZQLAG-RMKNXTFCSA-N 449.890 4.660 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OC 1874594127 UHQVJHBAGJQMHD-UKTHLTGXSA-N 431.488 4.926 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)c1OCCCO 1874609909 QUXLWEMTVGIOLD-VOTSOKGWSA-N 425.706 4.768 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1cccnc1 1875169557 NKKYZBPJUACKCO-CMDGGOBGSA-N 447.487 4.840 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)c1 1875178503 NNJDBKWQAWJEFS-NTEUORMPSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)c(OC)c1 1875179202 VVTOQWNMDUMZKT-QPJJXVBHSA-N 444.789 4.730 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912211213 UBERCLSSUPMUJF-IIBYNOLFSA-N 436.557 4.901 30 10 IJEE O=C(O)C[C@@H](C1CCC1)[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 1952815960 WCRRDZIRYUAUBU-RBBKRZOGSA-N 425.550 4.715 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1997638133 MEWDYQUSFKMXAN-HOTGVXAUSA-N 436.557 4.709 30 10 IJEE Brc1cc(N=C2N[C@H](C3CC3)CCS2)ccc1I 2029985717 TWDIQJYXCHNTOR-LBPRGKRZSA-N 437.144 4.546 30 10 IJEE C=CCOc1ccc(C=CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1OC 2054093867 UQAOFEMIVLRQJH-FQEVSTJZSA-N 437.565 4.760 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](Nc2ccc(Br)cc2C#N)(C(F)(F)F)C1 2105980753 APLHRDCYMIMIMK-MRXNPFEDSA-N 434.256 4.675 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](C#N)c1c(F)cc(Br)cc1F 2114281625 PNSGUIGCGJBBCK-IUODEOHRSA-N 431.277 4.708 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1cc(Br)cc(F)c1C#N 2118151289 OADWNMBUGGDELV-SJKOYZFVSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3ccc(C#N)cc3Br)CC2)CCC1 2174809919 GAVDFOMSCIWKLJ-UHFFFAOYSA-N 434.378 4.985 30 10 IJEE Cc1ccccc1[C@@H](C#N)C(=O)c1ccc(Br)cc1I 2207271313 IGMREVRFTYUNQU-CQSZACIVSA-N 440.078 4.852 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2225599789 IPWWGAPEMLGCAG-WBVHZDCISA-N 431.321 4.685 30 10 IJEE O[C@H](C#Cc1ccccc1Br)c1ccc(I)c(Cl)c1 2227478835 AKDGKTAVAJQXGE-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C#Cc1ccccc1Br 2235749574 LONQXIKQYXZJDM-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCc1nc(Nc2ccc(Br)cc2I)c(C#N)cc1C 2240326310 XTZUUIGEGIMRQU-UHFFFAOYSA-N 442.098 4.935 30 10 IJEE Cc1ccnc(C(=O)N(Cc2ccccc2)C2CCCCC2)c1B1OC(C)(C)C(C)(C)O1 2267507054 IBLYUSORNYLZRZ-UHFFFAOYSA-N 434.389 4.664 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C[C@H](C(=O)C#Cc3cccc(Br)c3)C2)C1 2296222762 VRVWQXQEXFNHFP-PIIMJCKOSA-N 432.358 4.653 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CC(=O)C#Cc2cccc(Br)c2)cc1 2296223546 BAJWDUAABFAAGG-UHFFFAOYSA-N 428.326 4.637 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2296311390 WPRRCUYTQUGLAG-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE COc1cccc(N=C2Sc3nc4cc5c(cc4cc3CN2C[C@H]2CCCO2)OCO5)c1 2297706565 MHAVYPIRFFCSFP-LJQANCHMSA-N 449.532 4.747 30 10 IJEE SC[C@H](COc1cc(Br)cc(I)c1)C1CCC1 2301014947 JLIVUTURZMWVHZ-JTQLQIEISA-N 427.145 4.779 30 10 IJEE CCCC[C@@H]1SC(=NS(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O 2314396459 AOURTMNYYPXGMZ-ZDUSSCGKSA-N 428.988 4.785 30 10 IJEE C[C@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2321962172 XCAPNBWRYVBFAK-QGZVFWFLSA-N 428.517 4.820 30 10 IJEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccco3)C4=O)C2)cc1OC 2322290859 XSXPIWBZRQOSKD-UHFFFAOYSA-N 447.487 4.616 30 10 IJEE C#CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 2322936790 URSQWOQRWKUIRH-TVZXLZGTSA-N 440.584 4.535 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc2C1=O 2323126504 CIZCZRZZPKFBIA-UHFFFAOYSA-N 426.346 4.948 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(C)c3)c2)c1 2325715132 GDJUDWWWKHHLKH-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccncc1 2325883941 ICYFAHNZYXSXKP-UHFFFAOYSA-N 429.549 4.998 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cc(OC)ccc1OC 2327674331 LOPFOOUKZLZOON-UHFFFAOYSA-N 444.944 4.688 30 10 IJEE C=CCOc1ccccc1C=Nn1c(Cc2cccc3ccccc23)nnc1SCCO 2327795993 YONRQWGQYZYTEA-UHFFFAOYSA-N 444.560 4.554 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc[nH]1 2328219099 XFAVGOHTZZXYNA-UHFFFAOYSA-N 433.537 4.677 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccn1 2328675299 ICLCEFBZHGKUCY-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE COc1cc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SC)ccc1OC(C)C 2329063281 HRIAKLAWVBQTBK-UHFFFAOYSA-N 430.961 4.922 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc[nH]2)c1 2330066969 ZFOUVAMTONHVRQ-GOSISDBHSA-N 444.564 4.679 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 2330493624 MKVIWFGERSCZIE-UHFFFAOYSA-N 443.532 4.994 30 10 IJEE COc1cccc(C=Nn2c(SC)nnc2C(F)(F)F)c1OCc1cccc(C)c1 2331105239 UQSPPKMHIZWNFE-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2Cl)o1 2331132810 HUUKJNWONIGTON-UHFFFAOYSA-N 444.822 4.504 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1O 2331392371 WXOXICFKIMZBRS-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)c(OC)c1 2331716675 XRYGHJOFYFDHRS-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CCN[C@H](C#Cc1cccs1)c1cc(I)ccc1Br 2338247390 YAIUWKXXUVJKIU-OAHLLOKOSA-N 446.151 4.818 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2ccc(Br)c(F)c2)OC1(C)C 2339443753 NOIYESKESIVWQH-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CN(C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1)C(=O)OC(C)(C)C 2339591491 BUCFFOXWTHWAOM-IBGZPJMESA-N 444.381 4.751 30 10 IJEE CC[C@@H]1[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339594998 CZUPYPUHHUHLMQ-VNRUCGOHSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)NCC1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2339598943 AATGGKXITCPYDQ-UHFFFAOYSA-N 444.381 4.943 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@@H](N)C#Cc3cccc(Br)c3)(C2)C1 2360195127 YEHRNVCLDKNJIZ-ZWCUEREDSA-N 433.390 4.555 30 10 IJEE CN[C@@H](C#C[C@@H]1CC1(C)C)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2365095408 FNGYAAIMMHBQCP-NZSAHSFTSA-N 435.406 4.522 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccs2)cc1 5926140 LRPKVCMCQKVDAH-NRFANRHFSA-N 435.501 4.938 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)COc2ccc(Cl)cc2)nc2c(C)cccc12 12240384 BMULFQMAYALDGH-UHFFFAOYSA-N 431.883 4.580 30 10 IJEE COc1ccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 12241592 YPQXSZLRWIXCQB-JXMROGBWSA-N 437.503 4.878 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1)c1ccc(Br)cc1 35272252 VNPZFVOVBHSQME-IBGZPJMESA-N 438.277 4.821 30 10 IJEE COc1ccc(/C=C2/Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)c(OC)c1 37857365 BZSYPDXVCXQZAA-ZMOGYAJESA-N 431.488 4.658 30 10 IJEE C(=N/Nc1nc(SCc2nnc(C3CCC3)o2)n[nH]1)\c1cccc(Oc2ccccc2)c1 59878496 WQRQNTGRNWRHOI-YDZHTSKRSA-N 447.524 4.986 30 10 IJEE CCCCOc1ccc(C(=O)/C=C\Nc2ccc(C(=O)NCCN(CC)CC)cc2)cc1 103029277 RQLGJEUURFVPPJ-MSUUIHNZSA-N 437.584 4.746 30 10 IJEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 138204134 SGKZWAMYBYBKJO-ZBKNUEDVSA-N 438.296 4.682 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1cccc(F)c1 169940093 FUNAEWJAUNMQRM-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)c1 170051535 IODMCMYQLNDWDW-HSZRJFAPSA-N 441.483 4.873 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 170058218 NEOIOMMJMBCPAW-CTNGQTDRSA-N 425.912 4.660 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)c1 170060678 LLKCVCJAOZIAKO-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1C 170068452 INZFKEZGROWVCO-DEOSSOPVSA-N 434.580 4.957 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2F)cc1 170069686 RMHKYTDIQWYROA-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)s1 170076910 JDHLRPDNJXKRPI-IBGZPJMESA-N 433.489 4.613 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(O)c2)s1 170080082 YLYNYEMYHSPMNE-GOSISDBHSA-N 442.443 4.527 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1 170092869 VXMWKZQMOWWSBZ-IBGZPJMESA-N 437.835 4.503 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)c1 170093550 ODGAJFQHAMBGEP-NRFANRHFSA-N 443.411 4.595 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1cccc(C)c1 170139658 AKXJNYMGRSQWGS-NRFANRHFSA-N 443.927 4.660 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1cccs1 170160422 VBMLNAVQJAPTKU-NRFANRHFSA-N 435.501 4.862 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1cccnc1 170195942 DYIQCCKEPWJILU-HXUWFJFHSA-N 444.915 4.521 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3cccc(O)c3)ccc2O1 170257944 WAHLWMHGRPHIIM-FATZIPQQSA-N 445.446 4.638 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1 170287027 FIMMYFAKTQRPRT-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)o1 170307401 LWEJMUGKYIMEDI-HSZRJFAPSA-N 446.503 4.857 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(OC)c(O)c1 170322324 GCUHGLZANHUURS-JOCHJYFZSA-N 437.536 4.995 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)cc1 170420902 MSPYNKJXJXLABU-NRFANRHFSA-N 447.512 4.703 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(F)ccc2F)ccc1OC 170441849 QZRZYYDZGNJARS-FQEVSTJZSA-N 445.462 4.887 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1ccc(F)c(Cl)c1 254375672 DJDAJSLQPAYTIF-UHFFFAOYSA-N 442.850 4.767 30 10 IJEE C=CCn1c(SCc2ccc(Br)cn2)nc2sc3c(c2c1=O)CCC3 481921780 LQLSIELYKIBLPX-UHFFFAOYSA-N 434.384 4.583 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](COc4ccccc4)C3)cc2)c1 484129694 KREMIIQGLZATNQ-XMMPIXPASA-N 429.476 4.662 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 507776367 CURLGPASTUWVLU-LJQANCHMSA-N 431.330 4.679 30 10 IJEE Cc1nc(-c2ccccc2)sc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 510966139 JCNKDQCOBPZZBS-UHFFFAOYSA-N 447.564 4.575 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 521834872 RGQLFLFEFKFVPY-QGZVFWFLSA-N 426.590 4.587 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)CC2)c1 525458025 NREXFFCPTDGYPA-PMACEKPBSA-N 430.426 4.630 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542963213 YXGAYVQGNDKNJK-UHFFFAOYSA-N 436.859 4.526 30 10 IJEE CCn1c([C@H]2Cc3ccccc3CN2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 581322766 ANZMVCUEDWHKSN-XMMPIXPASA-N 440.595 4.728 30 10 IJEE CC1(C)Cc2cccc(OCC#CCNC(=O)Cc3ccc(-c4ccccc4)cc3)c2O1 585254407 XIAGVDDYZWLMRL-UHFFFAOYSA-N 425.528 4.808 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccc(C#N)cc1 586153671 PSDOVSXWYPFBDK-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)c1ccc(N2CCCCC2)cc1 586215373 VGKHDEPHCGSCDU-UHFFFAOYSA-N 441.597 4.801 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(Cl)cc2)c1 586248576 OROZSTUGLRZOHY-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCCC(=O)Nc1cc(Br)ccc1C 623553643 UFBIKNQEJFIMLB-UHFFFAOYSA-N 448.336 4.623 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 698491129 WPWWGAYZLFSDLW-HNNXBMFYSA-N 440.338 4.607 30 10 IJEE C=CCC1([C@H](NC)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 722937737 JVCJGWMAQROBBM-MRXNPFEDSA-N 431.321 4.801 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 728766768 KAHUNBXCMPPREV-HSZRJFAPSA-N 445.563 4.991 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1 733202407 RCCGCSUHOVJRBA-JOCHJYFZSA-N 427.529 4.823 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1=S 760408155 OHRGPCJANYPTRM-QGZVFWFLSA-N 446.592 4.807 30 10 IJEE COC(=O)c1ccc(NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 1084396457 FSXOWBGOAHFVCQ-UHFFFAOYSA-N 435.483 4.989 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2c[nH]c3ccccc23)n1)Nc1ccccc1Cl 1084410607 JAUZGGUFLACSPH-UHFFFAOYSA-N 439.932 4.506 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)sc2ccccc12 1124742835 CFBOCRGUJQZSSS-OAHLLOKOSA-N 437.496 4.554 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(OC)c1 1129560395 BEAMUMOMFWXGDE-UHFFFAOYSA-N 431.414 4.646 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(c3ccc(Cl)cc3)CCCCC2)c1 1136543721 YNPCIIOWMSATBD-UHFFFAOYSA-N 429.969 4.726 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCc2ccccc2F)CC1 1137551034 XHLAVVXHSDUKQU-OAQYLSRUSA-N 434.552 4.583 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 1138104350 TVXWCMMZPCGDQA-PCCBWWKXSA-N 434.552 4.754 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)CC1 1154091729 DUHMLIHDSUOCDG-PPUGGXLSSA-N 443.316 4.762 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)c2nc3ccc(OC)cc3[nH]2)s1 1155009582 RDCUVAFDYLOWGT-GFCCVEGCSA-N 436.990 4.601 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F 1157507019 CGMMQYFBMBXBMT-BJKOFHAPSA-N 437.898 4.972 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1160815843 HQFQOBNBNYALLZ-FGZHOGPDSA-N 449.938 4.537 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1166517366 CBEIBYJSGWMPLD-XXBNENTESA-N 426.582 4.969 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1186025362 CJQBOBMFJGDMKT-NSHDSACASA-N 436.377 4.978 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](COC)c1ccc(F)cc1 1228984705 WSZOWLBAENOSKO-LJQANCHMSA-N 439.300 4.813 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1229989403 ISRIRFGNQTVSFM-OAQYLSRUSA-N 427.589 4.606 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Cn2cc(Br)cn2)s1 1275698284 FRDFOYXHVHJMNP-QGZVFWFLSA-N 430.371 4.673 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCCCCC1 1286362986 MBFYJISLJJOSEN-UHFFFAOYSA-N 431.584 4.507 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCN(C(C)C)CC1 1286584322 HJHHSQXGZLEGJF-UHFFFAOYSA-N 432.616 4.849 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCn2nc(C)cc2C)CC1 1286641059 RQTHZGFTGGWANV-UHFFFAOYSA-N 440.979 4.667 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](c2ccco2)N(C)C)CC1 1286664408 XALRJGGVGUTATI-QFIPXVFZSA-N 449.599 4.718 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1286678625 BBPXTHZTDPAVRU-ZEQRLZLVSA-N 431.584 4.629 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC1(N(C)C)CCCCC1 1286746328 VWOGAPZFIFWNCS-UHFFFAOYSA-N 444.627 4.721 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1CC 1286760495 NOUQFAXQFLCYEN-PKTZIBPZSA-N 435.616 4.576 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCc1scnc1C 1286763610 NQOHZDUGOAMMPR-UHFFFAOYSA-N 444.564 4.653 30 10 IJEE C=C[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)c1ccccc1 1290159398 QGSNAQVPXHZCCD-QFIPXVFZSA-N 436.533 4.713 30 10 IJEE CC(C)(C)c1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc(C(C)(C)C)c1O 1293348422 CLUKHVRNGRHHQB-NRFANRHFSA-N 433.596 4.837 30 10 IJEE C=C(CC)CNC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 1299353284 ISWCARUOXFNGNQ-UHFFFAOYSA-N 427.595 4.898 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(C#N)o1 1300284190 YXJVKVNGSCYLAS-OAHLLOKOSA-N 431.496 4.784 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCC1CCC(OC)CC1 1300324490 GMQWCVMCPSBDEZ-QNGMFEMESA-N 426.630 4.932 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)CN1CCCC1 1300813424 JSGVELHSWXGMDK-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2ccccc2)CC1 1300877479 YCOLDSHUVJRIFO-APTRMMRNSA-N 436.600 4.872 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC=C(C)CC1 1300980654 KTSOVXDCMZDCQM-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CC(=O)N(C)C1CCCCC1 1301357519 OLPQSVYWGCERPH-UHFFFAOYSA-N 429.634 4.621 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[C@H]2CC)C1 1301568914 ZBLHPLYJBYFXQG-ZGJYDULXSA-N 430.637 4.804 30 10 IJEE C[C@@H]1CC(F)(F)CCN1C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1302485011 GWLXQOXUTQYONO-OAHLLOKOSA-N 429.492 4.549 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nc2cc(Cl)ccc2c1=O 1307242511 NNRBXSSWXRDBOT-GOSISDBHSA-N 446.359 4.787 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1ccnc1[C@H](O)C1CCCCC1 1307369478 GOHTWJNEAPPCSD-FOIQADDNSA-N 426.586 4.899 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)cc1 1310170694 PDFJKUKGBMLHNP-QHCPKHFHSA-N 431.458 4.649 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1OC 1356494831 IXNXLDSWWMWILH-RVDMUPIBSA-N 439.515 4.929 30 10 IJEE C=CCN(C(=O)[C@H](C)c1ccccc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1356594262 CHBRLIYTCLXBKE-QGZVFWFLSA-N 440.590 4.845 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1sc(C)nc1C 1358875913 YRWOOZGWFRFVFS-MRXNPFEDSA-N 444.608 4.932 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N(C)Cc1ccccc1 1358942553 ZWSKJDKRLSDNQU-FQEVSTJZSA-N 447.652 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCO[C@H]1CCCC[C@H]1C 1359067383 LKJUGXDRCNUPCF-HFJQGTKSSA-N 427.980 4.581 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1359167842 WVOUVSYZNCDYLN-UHFFFAOYSA-N 427.474 4.682 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](OC)C1)c1ccccc1 1359195912 UGPTXEKCYTXWBS-KAOXLYBCSA-N 438.616 4.782 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)c(F)c1 1359220889 MJQQIVGGLIEFJP-WIYYLYMNSA-N 430.568 4.947 30 10 IJEE C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1359246610 GRDIPXGHCHMKGS-NRFANRHFSA-N 439.604 4.842 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)CCOC)C1CC1 1359246737 JPPJZCDSPQQILF-JOCHJYFZSA-N 447.004 4.756 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@@H](O)C1 1359258128 HERCRSRAIGOFIZ-PZJWPPBQSA-N 437.975 4.737 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1359267058 TYFQIDNJMIWZSI-GJZUVCINSA-N 449.599 4.531 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H](O)C1 1359276226 WFPOCRZNXBQFFB-FYYLOGMGSA-N 436.625 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)OC 1359276369 AOQJYCQMQNIGGA-MSOLQXFVSA-N 440.613 4.994 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCN(C(C)C)C2)C1 1359317017 AJJFGLZBGXKSRS-WOJBJXKFSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359339203 XABBIRACZJHFEH-GOSISDBHSA-N 446.064 4.828 30 10 IJEE CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(Br)cc1C#N 1441978996 GVUMMCUYOISXKB-UHFFFAOYSA-N 441.304 4.555 30 10 IJEE C=CC1(CC(=O)Nc2cccc(OCC(F)(F)F)c2C)CN(C(=O)OC(C)(C)C)C1 1443170283 XMBJQVWPCOBKIQ-UHFFFAOYSA-N 428.451 4.688 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H](NCc1ccccc1)C(F)(F)F 1457811273 BGMFFQUSOOCDCK-JOCHJYFZSA-N 439.437 4.801 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](C(F)(F)F)CC[C@H]2C)cc1 1459930944 HPSAAJUNTHTXGK-RHSMWYFYSA-N 448.489 4.576 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1459981185 SJZSAUWQPLPGHT-UHFFFAOYSA-N 444.620 4.796 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2ccc(F)cc2Br)c1C 1460046203 DDBAYVJBCFHSIE-UHFFFAOYSA-N 432.337 4.584 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 1465342332 HIAGPEJRYUFIRJ-OALUTQOASA-N 431.454 4.925 30 10 IJEE C=C[C@H](COC)NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1466230660 XXIKNWQXAQORKG-NEPJUHHUSA-N 438.290 4.828 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Nc2c(F)cccc2F)c1 1466440082 HXMVOVZKNZCQJT-UHFFFAOYSA-N 440.471 4.758 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)c1 1471160924 YEOJHVUKFNPVER-QHCPKHFHSA-N 427.541 4.674 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1 1472406907 HMMGSEWFIWCCQB-RBUKOAKNSA-N 432.609 4.594 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(C)c(Br)cc1C)c1ccc(F)c(F)c1 1475213492 RDTUPPGXPPCUGF-GOSISDBHSA-N 430.314 4.940 30 10 IJEE C#CCCS(=O)(=O)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1475238614 ZLDMHRNWQLPSGD-FQEVSTJZSA-N 425.472 4.501 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CCS1 1497716687 FKKPTKBDPZFHEX-UHFFFAOYSA-N 449.628 4.524 30 10 IJEE CCOc1cc(Cn2c(C(C)C)nnc2N2CCC(CC#N)CC2)ccc1OC(F)F 1502779950 GFGZDDUNSAEPRC-UHFFFAOYSA-N 433.503 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1507540848 IUGYPBJUIREUNS-QGZVFWFLSA-N 446.624 4.805 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN(C(C)C)C(C)C 1507647442 BWWFIVHXPFQAFF-UHFFFAOYSA-N 433.644 4.824 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCC(F)(F)C1 1507676104 JHLKVRAHDUDNRA-LJQANCHMSA-N 444.501 4.675 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCOC1CCCC1 1507680420 BMUFEBRXFIQVRF-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCSCc1ccccc1F 1507682058 HYJMFDNSTGTKLA-UHFFFAOYSA-N 429.952 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cccnc1OC 1507819877 VWLRVWWEHFABOP-UHFFFAOYSA-N 428.540 4.656 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1507894636 IMZMYMWEAJFQTR-UHFFFAOYSA-N 427.559 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C1CCCC1 1507911077 GYMHQMNWSOJYMM-UHFFFAOYSA-N 430.618 4.720 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CC=CCC1 1507934931 KWZMSZUKNIBIIS-NRFANRHFSA-N 435.620 4.601 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCCc1cccc(C)n1 1507998890 GRMLKDSCKWLWKE-UHFFFAOYSA-N 449.562 4.741 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1508002879 PCSOAFHQXJCVDG-VXKWHMMOSA-N 439.648 4.559 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(SC)c1 1508024154 JSDYDZDLGBAUMN-QFIPXVFZSA-N 449.624 4.572 30 10 IJEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCC1CCCC1 1511631484 CJGVAGQJBNWTIO-UHFFFAOYSA-N 431.588 4.774 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)C1 1516636088 GROLSWCJEQRVQH-PZJWPPBQSA-N 443.542 4.895 30 10 IJEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cc(Br)cs2)c1 1518354428 BDDKQTFPUZSBLA-CYBMUJFWSA-N 446.374 4.564 30 10 IJEE C=CCN(C(=O)[C@@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1522119134 KUWXFGXYCGDELA-HKUYNNGSSA-N 445.560 4.924 30 10 IJEE C=CCN(C(=O)c1cnc2n1CCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1523259856 FZORTMAGNWJTHY-UHFFFAOYSA-N 435.336 4.676 30 10 IJEE Cn1cc(-c2nn(C)cc2C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)cn1 1529253703 BXBSIMXNSDDHJZ-UHFFFAOYSA-N 448.939 4.749 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1)c1ccccc1 1529728529 NDBAOHFXAGLZNV-RUZDIDTESA-N 446.572 4.786 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(CC=C)c3ccccc3Cl)c2)C1 1529815436 KWWXBXNORMILNS-SFHVURJKSA-N 444.984 4.760 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1OC 1530305638 JRJMQRFVNKDLBC-ZSOIEALJSA-N 433.483 4.725 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)[C@H](C)COC 1531887906 WUHUTLKEPXSJKX-CQSZACIVSA-N 434.876 4.712 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1533141944 LHTLYTBJKNBDPS-IBGZPJMESA-N 431.414 4.779 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(C)C)C1 1539510152 FMPOIHCUMXZIPT-FQEVSTJZSA-N 435.597 4.839 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2ccsc2)CC1 1539520423 RVHSEXDWFDEHDE-UHFFFAOYSA-N 440.613 4.820 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)c1cc(OC)cc(OC)c1 1539603506 RLEYOSUCJQAPEZ-UHFFFAOYSA-N 449.374 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1539616908 SNCRDKWAFLWCIJ-MRSOFBGISA-N 428.552 4.631 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccc(F)c1 1539752676 VWOSRLUGZTVJPE-NRFANRHFSA-N 441.576 4.707 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1539774880 GEGZLFLGROLQCJ-JKSUJKDBSA-N 447.370 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CC 1539918661 OUFZXVZYNQGEPF-SFHVURJKSA-N 436.604 4.760 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](CC)C1 1540019382 ALCULPAGWVMFST-MSOLQXFVSA-N 435.638 4.648 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1540021928 WQNVMGAPMGYAAF-OALUTQOASA-N 428.602 4.693 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1540056427 GYWOBJGIMORVAH-MRXNPFEDSA-N 445.633 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCCCO 1540056528 KOSYEQSJMVGBTC-UHFFFAOYSA-N 427.774 4.536 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(COC)CCCCC1 1540056780 UODJMXJBSPXRIK-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540853868 TUFLPOTYKKBTOB-HBFSDRIKSA-N 429.996 4.547 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@H](C)C1 1540879808 OPYMPHQRANWMGS-MRXNPFEDSA-N 441.988 4.548 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1540920018 LMRZCZXDRLOSTA-HOTGVXAUSA-N 439.050 4.760 30 10 IJEE CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1541548005 CILHBHPOADSNFW-OAQYLSRUSA-N 434.632 4.954 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)CCCN1C(=O)OC(C)(C)C 1543879831 IIMHWSDIEYOKGB-CLOONOSVSA-N 427.589 4.810 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1(c2cc(Cl)cc(Br)c2)CC1 1556559149 YNGJMUJHFUEPBI-UHFFFAOYSA-N 438.749 4.824 30 10 IJEE C#CCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1558370934 VSRORRSVFCHAHS-MRXNPFEDSA-N 438.490 4.670 30 10 IJEE CC(C)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(Cl)c(Cl)c1 1559489806 FZFZDAWURSFRFM-UHFFFAOYSA-N 442.350 4.900 30 10 IJEE C=C(C)[C@@H](NCC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccc(F)c(F)c1 1559766534 JYRCTRVRQGVANK-AREMUKBSSA-N 441.566 4.639 30 10 IJEE CN(CCOc1ccc(F)cc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1561092954 BJHYAHKYQRTPGB-UHFFFAOYSA-N 445.356 4.563 30 10 IJEE C[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1562320289 HVGUHERSQXKDNM-ODUWVKTISA-N 445.972 4.602 30 10 IJEE C#CCN(C(=O)N[C@H]1c2ccccc2CCC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 1564519634 VJYXFZMKHCKTGJ-AUSIDOKSSA-N 439.600 4.744 30 10 IJEE C=C(C)CCNC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1564789348 VBSOVRGBROXIFJ-IBGZPJMESA-N 429.561 4.545 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1564913335 JWFLMYMEMCDVFK-LEWJYISDSA-N 429.605 4.899 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1 1568490125 FIFOTZUJBIKRJU-KRWDZBQOSA-N 439.890 4.975 30 10 IJEE C#C[C@H](NC(=O)CSCC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1583565386 HENLZWIDAGEFNH-KRWDZBQOSA-N 436.758 4.509 30 10 IJEE Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(Br)c(C#N)n3)c2c1 1584525706 HWWVAWRMSXXCQX-UHFFFAOYSA-N 444.292 4.887 30 10 IJEE C=CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1585016397 STSCEQQACFMJQW-OAQYLSRUSA-N 433.470 4.984 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(Br)cc1OC 1585629334 SUKPXWWTVAHWLG-UHFFFAOYSA-N 444.247 4.971 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CN(C(=O)OC(C)(C)C)C1 1587548111 YBQQHBUKFIOQMD-QGZVFWFLSA-N 427.570 4.773 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCCc1nc(C)cs1 1587667200 DXKMPYCVXSJEMN-FQEVSTJZSA-N 437.613 4.720 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1587759080 NREFHOHQESTWNK-HVCNVCAESA-N 449.643 4.813 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1c(C)sc(C)c1Br 1589224146 WZKWDEHQUTVXPT-HXUWFJFHSA-N 435.435 4.958 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)c2c(C)noc2C)CC1 1594009434 KKGGZPBHGFPAAE-GOSISDBHSA-N 448.571 4.712 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](SC)C1 1594625934 IPRBFXBMVDZSJL-WIYYLYMNSA-N 428.602 4.869 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OC)cc1F 1594907781 YIPKDNAQSSIXPP-UHFFFAOYSA-N 437.338 4.587 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cc(C)nn1C 1595178295 IBPBXBFBSCGGKC-UHFFFAOYSA-N 445.596 4.646 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@H]1CC 1595276320 ZDAAIGIZCYHQFW-CVEARBPZSA-N 436.398 4.501 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)c2cccs2)cc1 1595614131 NWWADQNIXWOOMC-QGZVFWFLSA-N 432.553 4.607 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 1596358604 GXEJSHYASJIJMY-UHFFFAOYSA-N 436.499 4.753 30 10 IJEE C#CCN(C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O)[C@@H]1CCCc2ccccc21 1617566188 HBVWXRHLZAMCIH-JOCHJYFZSA-N 434.536 4.564 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C(=O)OC(C)(C)C 1617584966 DWBZLMILIJVIAB-UHFFFAOYSA-N 449.429 4.702 30 10 IJEE CO[C@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1619486527 BVCVFVLYOSCHTI-HKUYNNGSSA-N 441.988 4.983 30 10 IJEE CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 1633939949 CZRKTRBIDXTODF-BJKOFHAPSA-N 430.552 4.554 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CCCC1(C)C 1635479182 XQJOKRGJODJWAG-UWJYYQICSA-N 428.527 4.919 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 1638330062 JBNNSUBRLSMJLB-IBGZPJMESA-N 431.330 4.992 30 10 IJEE Cc1c(Cl)cnc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1C#N 1639676437 DHTVCNKRWSTCBO-UHFFFAOYSA-N 446.982 4.843 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)[C@@H](C)CC)nc2sc(-c3ccccc3)cc2c1=O 1640814028 RIURTKLCYOQUMY-KSSFIOAISA-N 428.579 4.991 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2cc(Cl)cc(Cl)c2c1=O 1643961555 AZTDBJCSGBZGIN-GFCCVEGCSA-N 447.347 4.594 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1648683346 DBVMLLSSQIKCIN-HNNXBMFYSA-N 436.961 4.624 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 1650774194 NQCGUQHLHZKHHQ-MRXNPFEDSA-N 437.740 4.622 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 1651075520 VYUVVRLILSAAJZ-XMMPIXPASA-N 437.543 4.939 30 10 IJEE COc1ccc(-c2nnc(Sc3cc(C#N)nc(C)n3)n2-c2ccc(Cl)cc2)cc1 1654926485 GSFOTFVIYRLSIU-UHFFFAOYSA-N 434.912 4.718 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCCc2ccccc21 1655692544 NJANPDHMXDVZRL-RUZDIDTESA-N 440.547 4.569 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)sc2ccc(C#N)cc12 1662518230 GPGCMDAHOOGRNS-CQSZACIVSA-N 439.345 4.800 30 10 IJEE CC(C)(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)c2ccccc21 1663085756 DIKJTWYTWXGUBW-CQSZACIVSA-N 437.334 4.798 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C(C)(C)C)c3ccccc32)cc1 1667955694 BFUYPVDGJPKVRQ-FQEVSTJZSA-N 427.570 4.675 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(F)cc1Br)c1ccc(Br)cc1 1667957013 UXNGBVQTMFBSBD-CQSZACIVSA-N 426.083 4.847 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(Br)cc1 1668411031 QOKKXSMNKZQDOM-ZWKOTPCHSA-N 447.304 4.642 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 1669466423 WGUZDOYDDPIEKK-INIZCTEOSA-N 427.854 4.619 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C)c1ccccc1 1672895008 UTYIKSGPGQPSNU-UEXGIBASSA-N 449.551 4.603 30 10 IJEE C=C(C)c1cccc(NC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Br)cc3)C2)c1 1673600941 ZDIAMXNZYLISBB-VQTJNVASSA-N 443.341 4.903 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(OC2CCC(C)CC2)CC1)c1ccc(Br)cc1 1674026335 XDKQMRYEVGKUNC-VFIGECHUSA-N 433.390 4.893 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1 1674221719 ULBCAHSYYSEVRC-LPHOPBHVSA-N 433.549 4.524 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 1674753236 FUBJCGFOPMPARW-WFASDCNBSA-N 447.283 4.929 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3C[C@H]4CC[C@@H]([C@@H]3C)N4C(=O)OC(C)(C)C)cc2n1 1675017808 MRLBSESQIZEYBZ-FEGHXTNJSA-N 439.560 4.520 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1678916830 JAUMUQCZSJFANU-GOSISDBHSA-N 448.350 4.553 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 1679822619 KHYGKDXVMKOWCG-UHFFFAOYSA-N 443.828 4.507 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(F)cc1 1681648513 KUNZQEIYLHYMON-JTHBVZDNSA-N 430.458 4.730 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CCCCOC)c1ccccc1)c1ccc(Br)cc1 1682303754 UAWSDPGTUPSUHJ-RTWAWAEBSA-N 429.358 4.981 30 10 IJEE C#C[C@@H](NC(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1683689360 OSTWPXMNAGSIPD-LJQANCHMSA-N 439.959 4.880 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 1685798701 DMIMVRXUFFVGDJ-WOJBJXKFSA-N 431.458 4.817 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1689884007 FTVAWXJBLQSLFF-GOSISDBHSA-N 442.007 4.533 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@H](C)C1 1690034809 RWVFUOHDHWZIFA-ROUUACIJSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@H](C)C1 1690034810 RWVFUOHDHWZIFA-ZWKOTPCHSA-N 425.374 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(F)c(F)c1 1690198297 JFGPSLWLHSITRG-JOCHJYFZSA-N 427.886 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC1CCOCC1 1690237815 AYRXPIDNHSEBPP-UNMCSNQZSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1690251170 QBIOGNZYODURMV-KNQAVFIVSA-N 446.517 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@]1(C)CCO[C@H]1C1CC1 1690271199 HWFGUWTZDSQOGS-LADGPHEKSA-N 428.552 4.604 30 10 IJEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N(CCC)Cc1ccc(F)cc1C 1690351320 PBBFRRBYTWLEBT-UHFFFAOYSA-N 430.959 4.756 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690363728 AEPCZOLYSYDZJM-IYWMVGAKSA-N 428.552 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1690426741 ZAJOARKMYRYFHN-UHFFFAOYSA-N 432.572 4.634 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1690477922 KEEAADDWUMCDDB-GOSISDBHSA-N 429.996 4.553 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)Cc1c(F)cccc1F 1690488353 OGLJAOYHEIDDEV-UHFFFAOYSA-N 436.510 4.788 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2ccc(OC)cc2)nnc1[C@]1(OC(C)C)CCOC1 1690495825 HJLZBSRAGLTDIU-DHLKQENFSA-N 440.588 4.635 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1c(F)cccc1Cl 1690536203 QHFUTKQVAVLZEV-GASCZTMLSA-N 449.958 4.512 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)C1CCCCC1 1690602197 JWCMMYZCUFOAEZ-HHHXNRCGSA-N 445.611 4.907 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(C3CCCCC3)CC2)cc1 1690679549 YTYAYVHURZRRRU-NRFANRHFSA-N 437.632 4.859 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(Cl)ccn1 1690737627 RIWQIOHZACTXCZ-UHFFFAOYSA-N 435.384 4.598 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C#N)CC1 1695168454 FGLDZOLWHUOBFF-UHFFFAOYSA-N 448.571 4.671 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CCC(OC)CC1 1705481393 FZVQGHANYPTZJK-LBVWLFBPSA-N 426.630 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCN(C(C)C)C(C)C 1705671856 AIWCKNUQRODYBR-AREMUKBSSA-N 446.599 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCCN1CCCC 1705677707 YQRCTTUVHLDVTK-WNCULLNHSA-N 449.643 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccsc1 1705704192 ZKSZBPINLWXHGO-KNQAVFIVSA-N 426.561 4.687 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1(c2ccccc2)CC1 1705721537 HIRPLXLPJZSERK-UHFFFAOYSA-N 440.389 4.790 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1705762810 IZJSRPSKMKPSRH-LEWJYISDSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1705765553 RDQIMGHPNZHQDU-UHFFFAOYSA-N 443.979 4.622 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 1705771304 ODUHSLXAMPAWTA-JOCHJYFZSA-N 437.613 4.686 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCC[C@@H]2CC)CC1 1705778515 YPSFSNYWUJQDEC-NRFANRHFSA-N 438.576 4.520 30 10 IJEE C=CCCOCCn1c(N2CCC[C@@H]2c2ccc(OC)c(OC)c2)nnc1C(C)(C)C 1705833199 XLUKXTSNBRMLHV-LJQANCHMSA-N 428.577 4.527 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCN(C)C1CCCC1 1705866255 LGQVQMZDCDBYNW-UHFFFAOYSA-N 436.629 4.777 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1705888951 NSNQMDHKORHVMT-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCCC)C1 1705920208 SOLGOVCEFDFISZ-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)(C)CC1 1722319686 OZOOQGNXBPAGFP-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCOCCCC 1722468359 JQUZCEHYWYXIFD-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](CC(C)C)C1 1722502767 UHPDUZAKDFYRIZ-SKPFHBQLSA-N 442.579 4.850 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1722574989 UVZOGAUASPNLHK-BXKMTCNYSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1722586530 IDNGXYMSVUDHKU-HSZRJFAPSA-N 446.643 4.987 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722601849 XVYUTIGAWCXRHO-ZYSHUDEJSA-N 446.935 4.542 30 10 IJEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(CCC)Cc1ccc(F)cc1F 1722614830 VJJBMVIRQYSWDY-UHFFFAOYSA-N 443.498 4.667 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C)C1 1722623765 MBVNXOHSUNNHRT-AWEZNQCLSA-N 439.785 4.800 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCCC1(C)C 1722659965 IQKOQLYAQONMOE-SANMLTNESA-N 449.574 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(c2ccccn2)CCC1 1740537099 RLHYTMOJGXOCFR-KRWDZBQOSA-N 437.494 4.521 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740580445 YDNDDGVAOWGQFH-DEOSSOPVSA-N 445.007 4.955 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C(CC)CC)N(C)C 1740603376 QOYAZPUFESPGAX-FXAWDEMLSA-N 427.662 4.567 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)N(C)C 1740664940 JIHBLHPBFZBTJW-OAQYLSRUSA-N 431.987 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1740750270 ANXWSEYAYYFGKJ-OFNKIYASSA-N 440.563 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](CC)C1 1740765307 UDIDCTWMTNNHIF-SSSFQFABSA-N 448.677 4.510 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC=C(C)CC1 1740768254 UVKXMQDSCGLPES-PGRDOPGGSA-N 428.964 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCc2ccccc2C1 1740775670 IMVPJOZYCCYVKC-UHFFFAOYSA-N 444.627 4.503 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1Cc1cccs1 1740778289 UFSUJSFJLQACFB-MRXNPFEDSA-N 446.418 4.895 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1Cc2cccc(Br)c2C1 1740813727 GYQUBCDCXICTAI-UHFFFAOYSA-N 435.778 4.966 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCCOC2)CC1 1740832332 CGOMXNBMUQPWLQ-FPOVZHCZSA-N 440.588 4.646 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C)C1CCCC1 1740901359 CQTBMCGOQIVZMT-UHFFFAOYSA-N 432.410 4.513 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2cccs2)C1 1745681289 FYKWQWZWTSXFSR-UYAOXDASSA-N 434.613 4.808 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](c1ccccc1)N(C)C 1748775382 KOSQVOJMELUGJX-GHTZIAJQSA-N 433.625 4.504 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCSC1(C)C 1748868217 TXTYOUQKNCJGDQ-RTBURBONSA-N 440.588 4.552 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cccs1 1749023204 QEERJXVNLSSMEU-INIZCTEOSA-N 430.574 4.622 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1749083319 DBYOUCJMIBZPQQ-WMLDXEAASA-N 447.377 4.813 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1749101420 BNOKOEREVDLQFJ-LJQANCHMSA-N 431.378 4.595 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(CCC)CC1CC1 1749109219 GALMFRSMDYUMQE-UHFFFAOYSA-N 428.378 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCCCC2)nc1 1749148841 IHEFJSUUARIEQT-UHFFFAOYSA-N 446.599 4.790 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](C)SC)CC1 1749288048 KSYSWUPKNGTAFO-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1749335168 MEKOWHWBQSHSFY-UHFFFAOYSA-N 447.917 4.989 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1749347584 QYTGTHUWFMIIQB-LJQANCHMSA-N 438.494 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC2(CC1)OCCO2 1749357135 KDGCHAPRPQHBFR-UHFFFAOYSA-N 445.995 4.718 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C2CCCC2)CC1 1749400442 BGFFGLUBNJMNDG-UHFFFAOYSA-N 443.586 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H](C)c1nccs1 1749546919 GOSRKNXWTOBCQX-SFHVURJKSA-N 448.571 4.856 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@H](c1cccs1)N1CCCC1 1751090462 DVBFESPJKILXED-FXAWDEMLSA-N 438.576 4.721 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nccs2)C1 1751276231 GJNULQRWECUSFD-HXUWFJFHSA-N 445.017 4.859 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCN1CCC 1760101256 LRCKAJYIYLDFCU-NHCUHLMSSA-N 430.600 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1csc(C)c1 1760105408 DYGJLORNSRQIQW-QGZVFWFLSA-N 432.549 4.993 30 10 IJEE C#CCCCn1c(-c2ccccc2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1760150657 PYRGSLQBRLSHGY-UHFFFAOYSA-N 437.588 4.584 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(CCOC)CC(C)C 1760342446 LZTRVYYQCZZABY-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1760352631 UJFAMORKBSEQGY-OXQOHEQNSA-N 436.959 4.755 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1760400350 YENPZKTXGYCAKL-UHFFFAOYSA-N 430.600 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(CC)[C@@H](C)C1 1760415648 GVXFHXLNXIDQBS-FQEVSTJZSA-N 425.621 4.552 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cnn(CC)c1 1760432784 UJBZEWWXTBTLSM-UHFFFAOYSA-N 447.356 4.666 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760437002 NXYFXRZWMFTHJA-MNZLEMJZSA-N 431.378 4.917 30 10 IJEE C=CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1CC1 1760469847 HJUYSCMEJLFLKO-MJGOQNOKSA-N 429.609 4.736 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC1(C(C)C)CC1 1760480306 QTRFJFKRGKWWQY-UHFFFAOYSA-N 443.599 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760498211 JBUBWSCZSPSVGT-NLFFAJNJSA-N 427.637 4.914 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C)cs1 1760501027 FEQGOBGDUUHNJD-UHFFFAOYSA-N 437.544 4.649 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCc2ccc(Cl)nc2C1 1760509171 NEPVTWAAVMOASK-UHFFFAOYSA-N 430.737 4.505 30 10 IJEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCC(F)(F)CC1 1764540519 DKHFLMRJDDZYND-JOCHJYFZSA-N 447.505 4.687 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)N1CCC(Cc2ccccc2)CC1 1860636431 BNFHXLJSCGCTKJ-VQHVLOKHSA-N 430.317 4.652 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(C(C)C)cc1 1862139760 DJGOKLJTEADCPN-CVYRBCPQSA-N 434.555 4.890 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 1862403480 WZJQBOPJTGNHHU-NRFANRHFSA-N 443.927 4.662 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C(=O)O 1862434191 UCDOEDHUCKNURG-LJQANCHMSA-N 427.884 4.663 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862470778 WAYRGDMKKFURHQ-IBGZPJMESA-N 439.309 4.919 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Br)cc1 1862512254 QZGIPQZVZZHJGR-GOSISDBHSA-N 432.289 4.885 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)c1 1862605400 SLKOIBLMZAGQAQ-DEOSSOPVSA-N 441.483 4.545 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1c(F)cccc1Cl 1862667212 VRCRDALCGZNORT-FQEVSTJZSA-N 431.891 4.827 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 1862706478 XRMXEKWHLPHSFQ-IBGZPJMESA-N 433.426 4.948 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1c(F)cccc1Cl)c1ccc2ccccc2c1 1862720395 VZHNEHPPGLTVDC-OAQYLSRUSA-N 439.870 4.593 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1862957372 ZXMZFDSZJDBSOS-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863087143 YJYRZTJRDBQHBC-UHFFFAOYSA-N 425.463 4.965 30 10 IJEE CCCOc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863119859 KCTQIXXGJVEYOJ-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE C=CCN1C(=O)C(NCCCCc2ccccc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863726982 GARRAKPWJBQJAQ-UHFFFAOYSA-N 429.347 4.872 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCCOC(C)C)C1=O 1863761742 GSFVZTBLVJMNAF-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C 1868710068 CHNWFBLRCFRIGF-RBBKRZOGSA-N 434.621 4.702 30 10 IJEE C=CCN(CC=C)c1nc(=NC(=O)c2[nH]c3ccc(C)cc3c2C)n(-c2ccc(C)cc2)[nH]1 1870001559 JZTJNZFVXAXPTN-UHFFFAOYSA-N 440.551 4.526 30 10 IJEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)CSc1ccccc1 1870159923 AXBFQCBDMVXUHL-UHFFFAOYSA-N 426.505 4.613 30 10 IJEE CCCCCCCOc1cn(CC)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870411214 YGAWFTSBTNHTQI-UHFFFAOYSA-N 429.580 4.679 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(OCCCC)cc2)cc1=O 1871005630 PVRCIDKQEFVLRU-UHFFFAOYSA-N 430.548 4.894 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cccc(Cl)c2)cc1=O 1871006392 DDGXLBIKUXJMKS-UHFFFAOYSA-N 431.923 4.850 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1871006774 WKHYJLDQMPCSLW-UHFFFAOYSA-N 447.554 4.814 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1ccc(C)c(F)c1 1871187244 XQLFLURWYAODSD-UHFFFAOYSA-N 449.526 4.674 30 10 IJEE Cc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccco1 1871254203 QRTSVRMDKXJUGF-UHFFFAOYSA-N 425.488 4.861 30 10 IJEE O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc(O)c2CN(CCO)Cc1ccccc1 1871393656 BVABSAFDPBWSNY-UCQKPKSFSA-N 435.907 4.656 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1OC 1871396790 VNKVBGILDBCUIP-WYIUDDKKSA-N 437.536 4.812 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)s1 1871425694 MZLFEGMYSVABMW-BDBXIWDTSA-N 449.532 4.821 30 10 IJEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666035 KUOKTOCVRNRZKU-UHFFFAOYSA-N 426.609 4.620 30 10 IJEE CCCCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871681117 RHIODYBNBBKZGG-UHFFFAOYSA-N 435.016 4.740 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871856352 AJECETWGOAXNMC-JOCHJYFZSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872141527 NFCTYXYXFSGBLH-LJQANCHMSA-N 441.380 4.978 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872355656 PEDUZBDWXUYOFC-GOSISDBHSA-N 434.524 4.677 30 10 IJEE C=CCNC(=O)c1c(NC(=O)CCc2ccc(OCC)c(OC)c2)sc2c1CCCC2 1873440642 DJIHZOTXRZSTFH-UHFFFAOYSA-N 442.581 4.521 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(N3CCCCCC3)ncnc21 1873655568 KHZXCGALUCFVLS-UHFFFAOYSA-N 448.527 4.721 30 10 IJEE CSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cc(Cl)ccc1O 1874224759 BMKFLPAITSECCO-YDZHTSKRSA-N 430.961 4.870 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccncc2)cc1 1874406134 BKQYSDAHZFUIBN-BUVRLJJBSA-N 436.541 4.879 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(F)(F)F)cc1 1874458648 YYWAFZJEGCBZNZ-OPEKNORGSA-N 447.486 4.835 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)ccc1O 1874496876 IRFUKWSQXSWPQA-SSDVNMTOSA-N 443.916 4.987 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1cccc(C)c1C 1874522366 PNJVMJKDQPBVHY-MFKUBSTISA-N 449.580 4.635 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1OC 1874571970 POPQWYZYHMXQBJ-NTUHNPAUSA-N 435.451 4.757 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC(=O)NC1CCCCC1 1874597191 YXUSXWGWVQPTOV-ZRDIBKRKSA-N 437.536 4.736 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1890373384 FIOVUYSKLPHSSD-UHFFFAOYSA-N 449.352 4.610 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@](C)(O)c1cc2cc(Br)ccc2o1 1922052832 WXPFYSQHOPTKBB-VXKWHMMOSA-N 430.342 4.764 30 10 IJEE C=C(COCc1ccccc1)[C@@H](COCC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 1922098430 GKTHXTJIEYJCAL-XMMPIXPASA-N 446.632 4.791 30 10 IJEE C=CCC1(NCc2c(O)cccc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924523714 JGKHMCLAQHHYGY-UHFFFAOYSA-N 425.367 4.590 30 10 IJEE C#C[C@@H]1CC[C@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)C1 1965443281 OJGDHTRVLTZXKK-CWAZBZNHSA-N 444.575 4.858 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(NC(=O)CCCOCc3ccccc3)c2)OC1(C)C 1997699470 STPBVAABVOXECZ-UHFFFAOYSA-N 429.753 4.575 30 10 IJEE C#CC[C@H](C)C[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2020077868 IRSIDONQVYQPPM-GMAHTHKFSA-N 427.633 4.574 30 10 IJEE C=CCC1([C@H](O)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2047987735 NIFGRADPCJRFLK-MRXNPFEDSA-N 430.770 4.819 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2118192709 RTJQBLAHNSTSCV-KBPBESRZSA-N 426.330 4.732 30 10 IJEE C=CCN(CC[C@H](NC)c1ccc(Br)c2nsnc12)C(=O)OC(C)(C)C 2137375917 NFDZIDJVAMZGGB-AWEZNQCLSA-N 441.395 4.528 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1C#N)c1ccccc1 2181141008 HIXINJMSPCVEMX-KRWDZBQOSA-N 430.302 4.525 30 10 IJEE CC[C@@]1(C(=O)Nc2cc(Br)ccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2181142460 WVJOFVHGOZOCHG-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1csc(CNC(=O)OC(C)(C)C)c1 2227478723 WNGWJHYSEXTHKZ-GOSISDBHSA-N 435.387 4.848 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2sc(C)c(C)c2Br)C1 2229407746 AVZHKFHZRYNFRY-UHFFFAOYSA-N 443.407 4.699 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CCC12CC(CN1C(=O)OC(C)(C)C)C2 2235745081 AVRNOOBDXBXDAE-OJCRERRGSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](N)C#Cc2ccccc2Br)C12CCCC2 2235745772 FRNRZQVHKQEMEM-PKOBYXMFSA-N 433.390 4.698 30 10 IJEE C#CC[C@H](C[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237379312 CDEYUJBKTKZNFH-YZGWKJHDSA-N 436.390 4.685 30 10 IJEE Cc1cnc(NC[C@@]23CCC[C@H]2CCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241049374 MLVXYUBOXYCTPM-CUNXSJBXSA-N 447.432 4.546 30 10 IJEE C=C(Cl)C[C@@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2266485293 DFYDXPOUDMRWCG-ZWNOBZJWSA-N 431.621 4.991 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)N(CCC(F)(F)F)Cc3ccccc3)cc2)OC1(C)C 2267643470 TZDMHFLDEBJSPG-UHFFFAOYSA-N 448.294 4.972 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2279534193 AEGKYKUFKQXUBA-KPLVRAHFSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@H](O)CC#CC1CCCC1 2289901947 VWEOYGMQTQBZDF-VQTJNVASSA-N 436.390 4.830 30 10 IJEE CCCC1([C@H](O)C#Cc2cccc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2296225178 RYDXBFMQZFSTON-LJQANCHMSA-N 436.390 4.979 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2296267399 SKFZSXCXTFNQBA-UYAOXDASSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2296296392 NGKHLTDSDWRZHS-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE O=C1Nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(C2CCCCC2)cc1 2297341496 WMXSCGMKWKVBCV-UHFFFAOYSA-N 436.424 4.682 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@H]1c1cccc(F)c1 2297734997 FNJIMCGDEZLMLF-QHCPKHFHSA-N 443.430 4.706 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 2297745282 YBOSSFRNVPZSBD-JOCHJYFZSA-N 442.427 4.995 30 10 IJEE COc1cc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc(Br)c1O 2321295837 GIRQWGWXHUYMIP-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(C1CCC3(CC1)OCCO3)CO2 2322427725 OPTZICRHHYPBQB-UHFFFAOYSA-N 439.533 4.510 30 10 IJEE Cn1ncc(NN=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(Cl)c1=O 2322630945 QFLMSMWUUJQRPY-UHFFFAOYSA-N 437.714 4.766 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c(OC)c1 2322901513 FAEQBZDTSJGOEU-LJQANCHMSA-N 445.515 4.856 30 10 IJEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)cc(OC)c1OC 2324588892 QHNNQOAPPMABCD-AWEZNQCLSA-N 426.519 4.787 30 10 IJEE CCOc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 2324623435 WTFYGIYKVSGZPV-KRWDZBQOSA-N 448.500 4.836 30 10 IJEE C=CC[C@@](C)(NCc1ccc(I)c(Br)c1)C(F)F 2325204084 KYXXZONKZIAEJI-CYBMUJFWSA-N 430.074 4.743 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325713738 LMCJGYKEGJYQKK-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2329322917 DMXGJDOLMLORHM-UHFFFAOYSA-N 449.349 4.891 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccco1 2330055600 VVKAXFQZWRKQTG-INIZCTEOSA-N 449.511 4.775 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 2330965713 WQTGRUGSLVYVJD-SFHVURJKSA-N 442.928 4.656 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccccn1 2330986847 VSVMQHJUJBQQJT-UHFFFAOYSA-N 429.472 4.943 30 10 IJEE CC[C@H](N[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511249 DLXXDCAQIAVXKA-LEWJYISDSA-N 446.441 4.576 30 10 IJEE Cc1c(Oc2cc(Br)cc(I)c2)ccc(N)c1C#N 2338763144 NAJVTFSDWQHWSA-UHFFFAOYSA-N 429.055 4.608 30 10 IJEE C=CCN(CC[C@H](N)CCc1ccc(OC)cc1Br)C(=O)OC(C)(C)C 2339388801 AMSXWMGDELVNJZ-MRXNPFEDSA-N 427.383 4.531 30 10 IJEE Cc1ccc(CN(C)Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)s1 2377422749 QETQNBCUQKCLRU-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 11166765 WANUOLCZZSBDDL-UHFFFAOYSA-O 426.512 4.678 30 10 IJEE COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C)cc1 12631913 RWELJZYZJLAJIH-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE Cc1cccc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2ccc(Cl)cc2C)c1 32973866 UDLIUOIYMRYDSU-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 33552970 PPCXZHZCFCJDOO-WJDWOHSUSA-N 447.556 4.946 30 10 IJEE COc1ccc(/C=C2\S/C(=N/N=C\c3ccccc3)N(Cc3ccco3)C2=O)cc1OC 47137257 PEPIZIWAXIWOSU-QXZAMSPYSA-N 447.516 4.803 30 10 IJEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Br)cc1)c1c(O)n[nH]c1N2 98036627 NOOFZWLFASXALL-MEDUHNTESA-N 442.338 4.898 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)S/C1=N\CCCCCCC(=O)OC 102148887 ABZLJDPAEHRVLR-WFAAQJSFSA-N 447.626 4.863 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1 103227412 KFIAOMMIUNWASG-MYXKAAJQSA-N 442.515 4.801 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921795 IRKCKIGBTUCHLN-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1ccc2c(c1)OCO2 169983975 KVCQWWKIHLYFDZ-LJQANCHMSA-N 441.411 4.538 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)cc1 169987922 OHOXRESETMOVRQ-LJQANCHMSA-N 427.428 4.818 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2F)ccc1F 170072071 HNZHTSHMENFOGO-OAQYLSRUSA-N 429.463 4.667 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1Cc1ccc(F)cc1 170108167 LLEBGGRJKJXUBJ-NRFANRHFSA-N 449.503 4.909 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)c1 170138287 YFYMNCSYAOPMKQ-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)ccc1Br 170211948 GQNMFKJQCPTOAT-IBGZPJMESA-N 441.325 4.673 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@H]3c3ccccc3)ccc2O1 170228589 FTSYFSFGSZDNNJ-GYCJOSAFSA-N 436.467 4.665 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 170238744 WFZQDDJNZDYUKS-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)c1 170274329 NHEQSHCMCUOENS-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1CCOC(C)C 170313159 ULOBZNJIGGTEAF-FQEVSTJZSA-N 443.565 4.847 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@H]1c1ccco1)c1cccs1 170424495 QQONDMKEVSVMLI-QFIPXVFZSA-N 448.544 4.584 30 10 IJEE N#Cc1c(NC(=O)[C@H]2CCCC[C@@H]2CN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 170573604 BDFLXAQXPWYXIW-CVEARBPZSA-N 447.560 4.540 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 226740736 XFHFTPYGLDHCSR-XFQAVAEZSA-N 445.928 4.539 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc12 484135767 APLPWAAECCIIEM-UHFFFAOYSA-N 431.496 4.932 30 10 IJEE C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 503050900 GAKRBPUZLSYONW-NSYGIPOTSA-N 440.515 4.844 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](CC(F)(F)F)C1 508928862 DIVVWKFUAXCEPH-LLVKDONJSA-N 433.247 4.811 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccnc1Oc1cccc(OC)c1 524982617 UGFLGANFEMYGOW-UHFFFAOYSA-N 448.479 4.689 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC(C)=O)cc2)cc1 526484903 CGVKKLVEOUMPHW-XMMPIXPASA-N 440.455 4.549 30 10 IJEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526663566 OWIHARBFPHCKDJ-UHFFFAOYSA-N 436.496 4.728 30 10 IJEE Cc1nc(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)sc1SCC#N 537855084 OXFQXQDTZZJFRO-UHFFFAOYSA-N 438.456 4.809 30 10 IJEE COc1cccc(C2=CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)c1 542031985 DLSYYHBEPXMRRB-UHFFFAOYSA-N 433.899 4.727 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 549313296 IOGRIVXVRFKRBK-UHFFFAOYSA-N 435.475 4.935 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1ccc(I)cc1 559559627 LETWANSWQVGKOU-KRWDZBQOSA-N 435.240 4.671 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N3CCC[C@H](C)C3)CC2)c1 585953765 FIWHRFXGBSXDHH-IBGZPJMESA-N 426.605 4.570 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)c1 586003894 DSYCWYSVMXOHBU-JOCHJYFZSA-N 437.559 4.627 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2c3ccccc3C[C@@H]2C)nnc1-c1ccc(Cl)cc1 599904876 LDQQYRPAJPURLI-BTYIYWSLSA-N 438.984 4.926 30 10 IJEE C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 609072967 PLMIUPWTWZHQNV-MRXNPFEDSA-N 433.895 4.548 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 609401263 AVDGRJVUWNMAAY-CYBMUJFWSA-N 436.281 4.955 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1Cc2cccc(Br)c2C1 642726878 HDQBYACVODWPMA-HXUWFJFHSA-N 437.341 4.813 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(OC)c(Br)c1 698378363 VGGFWGJIZGNFLG-QGZVFWFLSA-N 440.382 4.601 30 10 IJEE CC(C)CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc(Cl)c1 730720678 TULDHMXOOJSMMI-QGZVFWFLSA-N 445.976 4.527 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 733202634 UNVVQBYDWDTISW-NRFANRHFSA-N 437.540 4.735 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 763638327 QWVBZQLGDKZIGB-GOSISDBHSA-N 439.531 4.756 30 10 IJEE COc1cc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)c(Br)cc1O 777470694 VBNOWKLFGHXFPO-WTKPLQERSA-N 428.204 4.790 30 10 IJEE C#CC[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccc1 788235620 WNOWIULUOMPBMU-WOJBJXKFSA-N 441.959 4.880 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C#N 790280243 HODCGPKPNYDSEV-HXUWFJFHSA-N 436.512 4.624 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCSc1ccc(Cl)cc1 925043134 BKQLVLAEFUBVOF-UHFFFAOYSA-N 448.875 4.759 30 10 IJEE C=CCCC[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1 1124235294 HVDXUFBUZLKKST-UEBMVEOSSA-N 434.561 4.979 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1124394876 BZHTYZNCTKZNCK-UHFFFAOYSA-N 442.512 4.745 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)ccc1F 1124547387 JMHGZVGNBMAMCQ-JOCHJYFZSA-N 432.561 4.541 30 10 IJEE C#CC[C@]1(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1128781638 DGERWVQYNFAGIX-PXDATVDWSA-N 446.538 4.868 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1cc(N2CCOCC2)ccc1Br 1129040573 NOOJYWPPOXOWJK-UHFFFAOYSA-N 433.371 4.816 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccc(Br)cc1Cl 1129306911 GPTGRPKTCUCMAX-ZDUSSCGKSA-N 435.749 4.835 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)n[nH]2)c1C 1137551491 JHGWKSMLMIWNQM-GOSISDBHSA-N 435.425 4.639 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C\c1ccc(Br)cc1 1141358745 IJFKODJUGLRIPN-OGZRUICASA-N 443.769 4.614 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 1156847419 YJJACDMMTHEDQL-OAHLLOKOSA-N 431.414 4.827 30 10 IJEE C=CCC1(C(=O)N2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCCC1 1161787694 YZIGXIFNBHNHIE-SFTDATJTSA-N 434.621 4.824 30 10 IJEE C=CCn1c(SCC2(C(=O)OC)CCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164431317 WTIUIJBOKLXEGW-AWEZNQCLSA-N 432.611 4.594 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@H]3[C@H](C#N)c3ccccc3)CC2)cc1 1167463824 BPTBCBXKYGVTDO-SXOMAYOGSA-N 429.608 4.938 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1 1190963733 GIBLQEKHHXTOLS-UHFFFAOYSA-N 428.863 4.799 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CCC(C)C)c2ccc(Cl)cc2)c1 1208424976 PTQIUQHNIPNEFS-OAQYLSRUSA-N 434.989 4.712 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C(C)C 1217731250 JVCXKRBDPGGEDZ-QFIPXVFZSA-N 448.615 4.862 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc2cc(C(=O)OC)sc12)c1ccc(Br)cc1 1218774312 SVPFVHVUOHFWGG-HNNXBMFYSA-N 443.322 4.946 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 1228648321 IMQUUSKQXMJZQO-UHFFFAOYSA-N 427.854 4.573 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1ccccc1 1264542677 BQSPYSANGWHXGJ-QHCPKHFHSA-N 426.520 4.623 30 10 IJEE C=CCN(C(=O)c1cc(Br)c(F)cc1C)[C@H](Cc1ccccc1)C(=O)OCC 1269220012 TWZQISYIJLBBGP-HXUWFJFHSA-N 448.332 4.699 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286318114 XRQNPMDITNQBJZ-XLIONFOSSA-N 445.405 4.681 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1CCC[C@@H](C)C1 1286421450 PEEGVDJQWJRKMM-OAQYLSRUSA-N 443.595 4.665 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCSC1(C)C 1286451402 JERSCDMRILAEHX-MOPGFXCFSA-N 442.629 4.808 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OCC(F)(F)F)CC1 1286659686 VWNTYLZGWODLJT-UHFFFAOYSA-N 437.510 4.654 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286695676 FPTZNAMKGLUAQZ-RTBURBONSA-N 437.371 4.602 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCOc1ccc(Cl)cn1 1286728881 JEHQGIUITHAKRX-UHFFFAOYSA-N 429.977 4.628 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 1293528365 UAFBZMFURQWUFP-FUHWJXTLSA-N 439.984 4.547 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1293903971 DQUHWSXEVJQUSR-OAHLLOKOSA-N 428.462 4.904 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 1300267789 KPHYLBSVOBRYER-RTBURBONSA-N 443.542 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1scnc1C 1300325228 WFQQVEBSXJVWOU-CQSZACIVSA-N 432.018 4.689 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CC 1300642780 DSCYWAYZFKBKGM-LJQANCHMSA-N 432.037 4.558 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1300762574 RIOCSUYWNBCBRR-UHFFFAOYSA-N 427.574 4.625 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1300769188 BFZAIRVIKWCGDU-ACIOBRDBSA-N 438.641 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCc1scnc1C 1300788521 CDYLMROPLPVNNR-JOCHJYFZSA-N 443.523 4.546 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@]2(CCSC2)C1 1300837872 XYQGRZGCYOFMKQ-SFHVURJKSA-N 439.810 4.841 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301175853 KVSKETOXAMFXIR-HXUWFJFHSA-N 442.007 4.697 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1301226521 GAODYUKBUTUQNS-SFNQZPIRSA-N 428.627 4.831 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1301273130 ODVZIEUSVRTYMQ-SFHVURJKSA-N 449.546 4.602 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1Cc1noc2c1CCCC2 1301342094 YHCQRVBXZCTTFQ-SFHVURJKSA-N 430.556 4.771 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(SC)CCC1 1301370510 FSLWZKFRHSHPNT-UHFFFAOYSA-N 425.602 4.611 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(C)(C)C)C2)cc1 1301530448 VCZORJLHCJLKMJ-QFIPXVFZSA-N 448.615 4.625 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC=C(c4ccc(Cl)cc4C)CC3)n[nH]2)c1C 1302116682 PXIPJVGGPBSCCH-UHFFFAOYSA-N 435.959 4.967 30 10 IJEE C=CC[C@@H]1CCCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1 1307161422 XXSCIGRCANTHHF-GOSISDBHSA-N 429.542 4.805 30 10 IJEE C=CCOc1cccc(NC(=O)NCC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 1310188419 MLKPAUNMODVNDS-NRFANRHFSA-N 439.556 4.899 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C 1310573914 TZHCAKHPEHRZSH-NRFANRHFSA-N 441.572 4.588 30 10 IJEE C#CCN(C(=O)Nc1cc(C)n(C2CCCCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1310836403 JMZICDVFWNDWSU-UHFFFAOYSA-N 443.592 4.563 30 10 IJEE C=CCC[C@H](NC(=O)N1CCCC[C@H]1COC(=O)NC)c1ccc(C(F)(F)F)cc1 1312344140 VZCLFHBRNWNHTB-ROUUACIJSA-N 427.467 4.633 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cc(Br)ccc1SC 1313355221 ANLWGTZZIIUSNZ-UHFFFAOYSA-N 444.398 4.983 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 1349819585 NLGOCQJGPAQFOR-FQEVSTJZSA-N 440.544 4.766 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cc1 1352514401 UIWABXVZIHPQQL-IRXDYDNUSA-N 446.469 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC[C@H](C)C1 1358875633 TYAXOKIXCWQAGW-OALUTQOASA-N 448.640 4.567 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)c1ccccc1 1358915219 WHVICFFMJQXZEO-OAQYLSRUSA-N 426.568 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1ccc(OCC(F)(F)F)cc1 1359069187 DTNZKFHUAWINCB-JOCHJYFZSA-N 432.490 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCCCCCSC 1359070674 RLJBDXXOXQHOIW-XUZZJYLKSA-N 440.613 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1-n1nc(C)cc1C 1359112876 VAXHGAGYHDJBTQ-HSZRJFAPSA-N 434.588 4.773 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(c2ncc(C)s2)CC1 1359153519 JEMDKYNKYVHSRL-UHFFFAOYSA-N 435.022 4.535 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2CC)CC1 1359161333 ZMCATOMNDOUPLR-UHFFFAOYSA-N 440.389 4.813 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1359168428 UHOIBXOXMYLOOQ-GOSISDBHSA-N 439.585 4.534 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1359181196 JKLATWHJLUDJDO-FGZHOGPDSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1359187911 BJBMFJZYGPSGIA-NRFANRHFSA-N 445.652 4.597 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1359193885 KXUJMLBGFHXTEQ-HSZRJFAPSA-N 447.583 4.559 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](OCCOC)C2)nnc1C(C)(C)C)c1ccccc1 1359195506 NPIIETGROUHBLM-YADHBBJMSA-N 426.605 4.567 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCC(F)(F)C1 1359258108 GOWJTXQMAJQMON-UXHICEINSA-N 443.542 4.637 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1Cc1ccnc(Oc2ccccc2F)c1 1359274229 GNKBOIHJUAYODN-OAQYLSRUSA-N 435.503 4.683 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1)C(C)C 1436208337 XYDKJCMVSRXPKN-QHCPKHFHSA-N 438.531 4.792 30 10 IJEE C=CC1(CC(=O)N2CCCc3cc(Br)ccc32)CN(C(=O)OC(C)(C)C)C1 1441952140 PEMYMXWNYCRECM-UHFFFAOYSA-N 435.362 4.542 30 10 IJEE C=CCc1cc(C(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)cc(OC)c1OC 1454220905 VFNUQDGUKXHNIN-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE C=C[C@H](COC)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1459312778 LFZQGIFVXDWPIO-YOUFYPILSA-N 433.614 4.714 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)c1ccccc1 1467089137 GIBUIHCXOQVDGK-ROTAYESASA-N 442.585 4.620 30 10 IJEE C=CCn1cc(CNCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)nn1 1474185913 HWQXSFRKBIQDHE-UHFFFAOYSA-N 433.339 4.648 30 10 IJEE N#Cc1c(F)cccc1S(=O)(=O)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 1474947340 GFVHMRVCXIAMCL-UHFFFAOYSA-N 442.434 4.729 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1C(F)(F)F 1475220732 GDKFKBYPSIYJQE-UHFFFAOYSA-N 428.863 4.799 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(c2nccc(C)n2)CC1 1476729815 RADVFRZBOCSPFJ-UHFFFAOYSA-N 431.334 4.524 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCOC)Cc2ccc(F)c(Cl)c2)c1 1477923906 HXKJYTUGTOACDX-SFHVURJKSA-N 433.911 4.518 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 1478376376 ICPSGYJRMLINEF-UHFFFAOYSA-N 427.854 4.921 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1499350268 AWXAKEPFSABWTR-CRAIPNDOSA-N 435.601 4.639 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCC(C)(C)C 1507764395 OXZGSJNOHDKUGL-RUZDIDTESA-N 440.588 4.789 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1507769626 DNLVBMWIUAZWHN-ZFJSRUIDSA-N 426.992 4.576 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1507830365 LPJHIETUMQGUOM-QGZVFWFLSA-N 443.567 4.790 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@@H](C)C1 1507966228 NLQZWKYWADDLID-HOTGVXAUSA-N 439.387 4.849 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@](C)(O)c1cc(C)oc1C 1507996844 KSYMFOFVDOKLGP-DWXRJYCRSA-N 447.583 4.973 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1CC1(SC)CCN(C)CC1 1508001458 RQTQXRZTTOOHCE-FQEVSTJZSA-N 427.662 4.812 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 1508103646 GACGDMUFHGPGOT-OAQYLSRUSA-N 426.605 4.731 30 10 IJEE CCCCN(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1514442679 BPDHGAILXPEZOU-SFHVURJKSA-N 445.011 4.543 30 10 IJEE C=CCN(C(=O)c1cc(Cl)cn1CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1525330909 NAYUHHJRJNBPMC-UHFFFAOYSA-N 449.985 4.521 30 10 IJEE CCc1ccc(C2=CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)cc1 1527372589 AZVNTSYARYIJNA-UHFFFAOYSA-N 425.326 4.578 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](c2ccccc2F)C(C)C)nnc1-c1ccco1 1527944927 LHIFXXYQEQHDND-FQEVSTJZSA-N 428.533 4.859 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)cc1 1532570736 ZZWQKPAQJHUXMI-QGZVFWFLSA-N 442.187 4.728 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)C1CCOCC1 1532934076 KGAHUUHZOHPVDQ-XMMPIXPASA-N 428.488 4.824 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1cccc(N2CCCC2=O)c1 1533209961 HWMFGUOSMBJWBW-UHFFFAOYSA-N 441.506 4.909 30 10 IJEE C#CCN(C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(C)C 1535820447 UODFCOBMBBWVOP-HNNXBMFYSA-N 425.579 4.556 30 10 IJEE C=CCOc1ccc(CC(=O)N(Cc2cnn(C)c2)c2ccc(Br)cc2)cc1 1536416437 USWQGCYKXMQRLJ-UHFFFAOYSA-N 440.341 4.523 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(Br)c3cccnc23)cc(OC)c1OC 1538393640 OXOFTGUOXNTAQP-UHFFFAOYSA-N 427.298 4.995 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCc1ccc(Br)s1 1539011323 DHAIXLBKSJPNCX-INIZCTEOSA-N 443.414 4.702 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2c(Br)cccc2[N+](=O)[O-])cc1 1539198316 UVNDZEKVTCPMHI-UHFFFAOYSA-N 433.258 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1csc([C@H](C)OC)n1 1539546295 FSNCDKCYFFOULP-OYHNWAKOSA-N 441.988 4.803 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](OC)C(C)C 1539546833 NIRHBSOZAISGCE-ZEQKJWHPSA-N 448.567 4.780 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCc2sccc2C1 1539686107 GLDNSEZUDLQGFS-UHFFFAOYSA-N 432.391 4.637 30 10 IJEE C=CCC1(C(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)OC)CCCCC1 1539754550 GRVAABFZBMGYAP-LJQANCHMSA-N 447.373 4.657 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)C2CCCCC2)CC1 1539832662 WKAZMZJJFPRASJ-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCCC2CCOCC2)CC1 1539859479 QXYUBTXRHPCKFA-UHFFFAOYSA-N 442.629 4.942 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCOCCOC)CC1 1539877745 DFGYZZVNLYWMFW-SFHVURJKSA-N 444.645 4.587 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCC[C@@H]2C)CC1 1539891389 ASRSLZSKSACIDV-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 1539929248 POUHFWMIDCMJCG-NRFANRHFSA-N 442.604 4.719 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1Cc2ccc(Br)cc2C1 1540037328 IESZPEPJLMHUJN-UHFFFAOYSA-N 433.394 4.742 30 10 IJEE C=CCCOCCn1c(N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C 1540042049 KFFNDSSWHSNWLI-JTHBVZDNSA-N 439.648 4.658 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(C)ccc21)C(C)C 1540152531 WXGMTTHBCSNSNW-DNQXCXABSA-N 435.616 4.831 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCc2oncc2C1 1540909807 PTITWUIOKOPSRU-SFHVURJKSA-N 439.585 4.505 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSC[C@@H]2C)CCCC1 1546153942 GDWFPBGVELXSSC-SFHVURJKSA-N 425.602 4.641 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1556115317 AUIYVVIJHKZQKX-QGZVFWFLSA-N 441.494 4.515 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)c1 1559683707 OCRFCHLTNIRSPK-HSZRJFAPSA-N 437.971 4.751 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2c[nH]c3cc(F)ccc23)cc1OC 1560300564 IDQNFBQYIMWPKQ-UHFFFAOYSA-N 433.321 4.975 30 10 IJEE Cn1cc(CNCC(F)(F)c2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1 1560540216 HBENTHRXJMFRAJ-UHFFFAOYSA-N 431.284 4.603 30 10 IJEE C#Cc1ccc(NCc2cc(I)c(OC)c(OC)c2)c(Cl)c1 1560607140 SKMCMXBIFHGMOH-UHFFFAOYSA-N 427.669 4.555 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 1562126297 WZQXHCIASLHIMO-ROUUACIJSA-N 449.551 4.757 30 10 IJEE COc1ccc(C[C@@H](NC(=O)Nc2ccc(C#N)cc2OC)c2ccc(OC)cc2)cc1 1562580909 DFISDINWWTVTEH-HSZRJFAPSA-N 431.492 4.690 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(NC(=O)C2CCC(CCCC)CC2)cc1)[C@@H]1CCCO1 1563927233 KJNVWIBBJSLETI-SSKZOSGOSA-N 439.600 4.602 30 10 IJEE C=CCN(C(=O)c1c(F)cc(C(F)(F)F)cc1F)[C@@H](Cc1ccccc1)C(=O)OCC 1585015514 LIBPCOPYEMHVQH-SFHVURJKSA-N 441.396 4.786 30 10 IJEE C#CCN(C(=O)CNc1cccc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1586216386 GAVHBIIWLWHVSY-SFHVURJKSA-N 433.733 4.500 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1ncc(CC)s1 1587575169 QSPRMZJMQXQVGF-KRWDZBQOSA-N 430.581 4.521 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccoc1 1587712082 LUSWZEOWZRCHOF-UHFFFAOYSA-N 431.309 4.880 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1csc(C(C)C)n1 1588271424 IRMOREFJSPRCIA-KRWDZBQOSA-N 441.576 4.839 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(OCC)CCCC1 1588276787 YVQHZNKVIOKGRK-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1588288805 LVQPIUUTOYDCEW-LJQANCHMSA-N 439.604 4.613 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCC[C@@H]1CC 1588581346 OABBYWIDRJGPPV-LEWJYISDSA-N 431.584 4.714 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1589028154 ZYFVDBUGCYFGCI-NRFANRHFSA-N 426.630 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1589546790 RJTQVKVPDOTEPA-WPYKKVEZSA-N 442.604 4.627 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1594484204 OGZIZSQSESLARW-UHFFFAOYSA-N 432.572 4.730 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(OCC(F)(F)F)c1 1594929654 NBPSAFVYDJRJSJ-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1cscc1C 1595075964 PUVUSPPDFOTNLD-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CC1=CCCOC1 1595161770 LIWJRWKJISKMSO-UHFFFAOYSA-N 442.535 4.748 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@@H]1C 1595243768 DWDNFXMOJTUBHQ-GJZGRUSLSA-N 430.350 4.520 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1596613126 OSUASHCTDXSQDV-HXUWFJFHSA-N 432.561 4.730 30 10 IJEE C#C[C@@H](NC(=O)c1c(Br)sc(C)c1C)c1ccc(Br)cc1 1596985880 XDLKLBKESQXECM-CYBMUJFWSA-N 427.161 4.994 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2C1 1598362531 FHSWOONEIGDHSD-UHFFFAOYSA-N 449.576 4.842 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccnc(Oc3ccccc3F)c2)o1 1612009388 AIXAZTGHAVSVOP-MRXNPFEDSA-N 446.486 4.960 30 10 IJEE C=C(CC)C(=O)Nc1ccc(C)c(NC(=O)c2ccccc2I)c1 1625855545 OVFRLVMLLCEIAF-UHFFFAOYSA-N 434.277 4.757 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 1629090733 LYXLIAYXRRZDFK-UHFFFAOYSA-N 427.838 4.557 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 1631846821 ORKLPXVGVLLNAB-OAQYLSRUSA-N 425.573 4.902 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 1632329155 JWSCOHVKHJYZDT-MRXNPFEDSA-N 431.335 4.663 30 10 IJEE O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cnc(O)c(C(F)(F)F)c1 1632760984 LTGYDFCFSVZYGA-LLVKDONJSA-N 432.242 4.858 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 1639049748 GYLMTRVCOSSPBC-UHFFFAOYSA-N 425.897 4.573 30 10 IJEE N#Cc1nc(NC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)[nH]c1C#N 1640270597 GHHBSWWUKFPRQK-KRWDZBQOSA-N 428.304 4.932 30 10 IJEE N#Cc1ccc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c(Cl)c1 1642120089 FDRYRAJTJZMAHZ-UHFFFAOYSA-N 426.948 4.792 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)Cc1ccccc1F 1644389542 SKIWXLBFSSCOCC-UHFFFAOYSA-N 434.490 4.871 30 10 IJEE Cc1c(C#N)c(NC(=O)CSCC(=O)OC2CCCCC2)n(-c2ccc(F)cc2)c1C 1651946563 HLSFUAKZYLVIIV-UHFFFAOYSA-N 443.544 4.653 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3F)CCCCC2)cc1C(F)(F)F 1654858056 CKBAHFPENXQFAR-UHFFFAOYSA-N 444.425 4.993 30 10 IJEE Cc1cc(Br)c(CN2CCN(c3c(C#N)cnc4ccccc34)CC2)s1 1659090740 BVISBRNTVRRQMH-UHFFFAOYSA-N 427.371 4.561 30 10 IJEE CCOc1ccc(Cl)c(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 1661960872 AEMASSHVKSBREZ-UHFFFAOYSA-N 435.915 4.513 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1C)c1ccc(C(F)(F)F)cc1 1662378726 MHRJRCDEHYVRHR-GOSISDBHSA-N 441.471 4.786 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(c2ccccc2)CCCO1 1662577371 PNDCZXRZDZTYLB-OAQYLSRUSA-N 431.330 4.841 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)[C@H](OC3CCOCC3)c3ccccc3)cc2n1 1664850744 XWOPMFHQWFXQFL-KOSHJBKYSA-N 434.540 4.669 30 10 IJEE CC1CCC2(CC1)OC[C@H](CNC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)O2 1667391405 HOYOLUHIQYEMRZ-DTDTVYEOSA-N 449.551 4.775 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)N[C@H](c3cccc4ccccc34)C(F)(F)F)C2)cc1 1669035248 BABSRTWSRQNRAW-OAQYLSRUSA-N 425.410 4.788 30 10 IJEE Cc1cccc(Oc2ccc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cn2)c1C 1669217438 IFEKIPJWDBSFDS-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(I)cc1Cl 1672029633 HLVMBSKPQNZRGX-LRDDRELGSA-N 432.733 4.879 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)c1 1674221820 YHIBQCNDKQVQDJ-UHFFFAOYSA-N 441.329 4.911 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(CC)cc1)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1676957019 XKORITJKNNKNEY-QHCPKHFHSA-N 441.616 4.990 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1683306988 UHKGCCFGSMKRSN-UHFFFAOYSA-N 448.430 4.873 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1689918095 QLKDJZFAIJTKND-UHFFFAOYSA-N 447.583 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)SC 1690195939 SGSFSERJQLSTBM-ORAYPTAESA-N 437.382 4.590 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)CC(C)C 1690252292 BZVUGQYGXQCAQI-XMSQKQJNSA-N 432.996 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCC[C@H]1C 1690260757 WRBQEQCRPQQZSQ-IERDGZPVSA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1690260772 XPDWBIQNRAPMNW-GOSISDBHSA-N 445.583 4.990 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@H]2C)CC1 1690374027 MSIJFXMOTLADLY-CTNGQTDRSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccco2)C1 1690424238 IGNBXUQLSKGLPY-SFHVURJKSA-N 427.936 4.767 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(C)C)C1)c1ccccc1 1690441695 FCENHDWSIYRPRR-FCHUYYIVSA-N 444.583 4.768 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CCCC2)C1 1690497232 KSISHSDXQSIQCQ-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCC[C@@H]1C 1690586286 JTVBLBAXUISDBO-LLJLJFOGSA-N 426.630 4.861 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(CCc1ccc(F)cc1)C1CC1 1690630178 YGFCTCGEVCSKPI-UHFFFAOYSA-N 444.352 4.583 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCCO[C@H](c2ccccc2)C1 1690748934 LYYCSDNVOAABLC-NRFANRHFSA-N 440.638 4.818 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@H](F)C1 1692820816 FVIBMBHAABTMKK-QRFRQXIXSA-N 429.515 4.825 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(C)C 1693524032 CCPCUZUJLRAEEV-KRWDZBQOSA-N 436.560 4.620 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCO[C@H]1CCCC[C@@H]1C 1705478027 VNKQAZVUZADEQB-IWFBPKFRSA-N 428.552 4.610 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccco1 1705620872 JRUJGMDFYLGSFH-FGZHOGPDSA-N 436.531 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccccn2)CC1 1705793192 OYUPHQYZTUOAGK-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C1CCCCC1)N(C)C)C1CC1 1705854161 OACMBRCREWLLLY-QHCPKHFHSA-N 443.586 4.812 30 10 IJEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1706146029 CXMFHWBTXWWLGC-QFIPXVFZSA-N 434.632 4.955 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1OC(C)C 1722345125 FJYWWQHGRSEGOI-UHFFFAOYSA-N 445.386 4.674 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1c(C)coc1C 1722391873 XASJCUOIJCSRDV-OAQYLSRUSA-N 446.551 4.538 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1occc1C 1722401487 ZTGKVHQYWKBOFT-UHFFFAOYSA-N 430.552 4.702 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1sccc1C 1722427624 RGBZQLGSNWTCMK-UHFFFAOYSA-N 447.029 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCc1nccs1 1722505313 NDFSCPVBOIJWPL-UHFFFAOYSA-N 433.585 4.827 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC(C)C)C1CCCC1 1722519851 RQBKJZLFUJOPSJ-UHFFFAOYSA-N 428.577 4.952 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1722568012 VNENEMDJFWEEEU-UHFFFAOYSA-N 429.609 4.590 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722585376 YDFNSFRLZLONKY-XMMPIXPASA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1722591664 RCJYSTRMDYAQCE-UHFFFAOYSA-N 444.023 4.612 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1722605430 HKRFOBVJISHGJE-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCc1cccc(C)n1 1722653155 SYYGSIJHAFYJSU-UHFFFAOYSA-N 443.551 4.994 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1nccc(C(F)F)n1 1722653381 ZSTHERWXOKDULR-UHFFFAOYSA-N 442.514 4.553 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCN1CCC[C@@H](C)C1 1722654597 QXGOLCYZUOEDLA-OAQYLSRUSA-N 439.648 4.800 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)Cc2cccs2)C1 1722720543 DMDLKAJUBXOUHV-QUCCMNQESA-N 440.588 4.730 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC[C@H](C)C2)c1C 1724062487 CCYYYQVUAWDEAZ-XXPWESIGSA-N 425.552 4.913 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@@H]2CC)c1 1740564379 LFRALRZOZDSIEE-SFTDATJTSA-N 435.616 4.749 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)C(C)C 1740674706 QJVOBQVJLVYOFN-UHFFFAOYSA-N 433.394 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1740732938 VTPLZIGOZBMBBW-ZYLNGJIFSA-N 440.035 4.635 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)CCc1cccs1 1740755158 YHXJYIYMEMZWSU-FYYLOGMGSA-N 447.608 4.928 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2cc(Br)cs2)CC1 1740828514 NIJMADXBWRPAII-UHFFFAOYSA-N 435.416 4.959 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCN(CCC)C2)CC1 1740841706 XJEPGKBJAFLAMN-QHCPKHFHSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1740845680 YCEJRDATXJJUAL-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740883039 GXVPXUHJAQEBMW-RXVVDRJESA-N 435.399 4.866 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1740883220 MTRDSUBUZMYVHX-AUSIDOKSSA-N 433.556 4.529 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740946912 JSCVMZUOJJGFRZ-DFQSSKMNSA-N 429.609 4.594 30 10 IJEE CC(C)c1ccccc1OCCn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(C#N)C1 1741322218 FGGISXTYGOLQFP-AREMUKBSSA-N 444.583 4.596 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)CC=C)c1 1748694265 CKFJIQKIUYPTMZ-UHFFFAOYSA-N 447.608 4.589 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCCC(C)(C)C 1748836350 WAFZCRMXWDMLEP-UHFFFAOYSA-N 431.353 4.746 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)c1ccco1 1749023150 ODKLTIKRWBRFCA-HNNXBMFYSA-N 445.386 4.864 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CCC(F)(F)F)CC1CC1 1749026175 HFDDVKZUWONWCU-UHFFFAOYSA-N 443.926 4.529 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1CCCOC(F)(F)F 1749055288 GVMHKURPOLRIKG-OAQYLSRUSA-N 432.490 4.667 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1Cc1ccc(Cl)nc1 1749078982 WTKCGEMVFQLIHD-XMMPIXPASA-N 435.959 4.508 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1749293879 XTFZHEPCGIQWKM-UHFFFAOYSA-N 430.455 4.661 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)OC)CC1 1749311530 QXRJGHGGQKHLAU-UHFFFAOYSA-N 425.360 4.745 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC2(C)COC2)CC1 1749334690 KQUVYTWRVSOMAJ-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1749364524 SYTXEEISUXAQRP-UHFFFAOYSA-N 439.604 4.856 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 1749401748 DNPQBJRWBGSTPR-HXUWFJFHSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1749421779 QUCBQWSYKJRFMT-SFHVURJKSA-N 428.577 4.711 30 10 IJEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](SC)C(C)(C)C)C1CC1 1749515025 PGJAKCQBJHSBKC-FQEVSTJZSA-N 428.602 4.649 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCCCC1)C1CC1 1749527447 FKFZGFDVYROHNC-NHCUHLMSSA-N 429.653 4.616 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CC(C)(C)c1ccccn1 1749531250 DZINDWCFDXJPMK-UHFFFAOYSA-N 426.568 4.668 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CCCn1ccnn1 1749551374 XZUNMEIFZHJXAJ-UHFFFAOYSA-N 439.976 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(CC(C)C)C1 1749551421 ZZFSTOOEOTXHQT-HXUWFJFHSA-N 438.645 4.895 30 10 IJEE C=CCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749637924 KSUHEWHZTTWAJV-GOSISDBHSA-N 428.989 4.932 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](C)C[C@H]1CC 1749652783 SIOYSRVTIBXBLW-LSDHHAIUSA-N 444.004 4.740 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1749754355 KYVQWDAUANCYNB-JRGCBEDISA-N 446.592 4.544 30 10 IJEE C[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)C1 1752055488 IBXAPBNRYDPVEP-IRXDYDNUSA-N 436.947 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccncc1Cl 1760099795 LTAKHJAYFUYXTR-KRWDZBQOSA-N 444.970 4.907 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCc1nccs1 1760147880 ZTVSCYBFKRUYMN-MRXNPFEDSA-N 425.627 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1760326405 XCEUMMUXPGEOCT-IIBYNOLFSA-N 444.004 4.596 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](OCC(C)C)C1 1760343335 NUTIUHWFGUKQAM-OAQYLSRUSA-N 436.556 4.945 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](CC)C1 1760343480 WRIZDIXOWUPJTP-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCN2CCC)CC1 1760384197 NQPKWHMZTPQDKV-IBGZPJMESA-N 431.531 4.577 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)COc2ccccc2OC)CC1 1760390099 BPMOHVXPJXMQIV-LJQANCHMSA-N 438.597 4.811 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760413276 CTJTZIXOGZNUOW-UHFFFAOYSA-N 429.653 4.554 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1)c1ccccc1 1760418533 UHMPATRTWMDFHD-PKTZIBPZSA-N 435.616 4.648 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760421626 VRVCBRXFEZDMJM-NRFANRHFSA-N 439.604 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(OC)CCCCC1 1760454353 GHOJROCKSPEZPM-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC 1760484203 QBKBDCLTWJLXGK-KDURUIRLSA-N 443.567 4.791 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1N(C)CCCC1(C)C 1760488653 AWXOGQJPYPYLGD-UGKGYDQZSA-N 441.595 4.856 30 10 IJEE C=CCSCCn1c(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)nnc1C(C)(C)C 1760568529 LPTUOYLCZWADPW-KRWDZBQOSA-N 449.615 4.656 30 10 IJEE CC(C)(C)c1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)s1 1760721321 GQQDOUDNNRZXAR-GOSISDBHSA-N 449.628 4.886 30 10 IJEE CN(CC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C 1768772499 HMCCLEXGWKELGX-QFIPXVFZSA-N 434.613 4.808 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 1858816982 LSQSAPGJMGHUJH-MRXNPFEDSA-N 428.920 4.655 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)c3ccc(F)cc3)c2)sc2c1CCCC2 1860094633 GDDFQSQAPDPICS-UHFFFAOYSA-N 449.507 4.907 30 10 IJEE N#Cc1c(NC(=O)COc2ccc(NC(=O)c3ccc(F)cc3)cc2)sc2c1CCC2 1860140809 GCMNIEVQDCESCN-UHFFFAOYSA-N 435.480 4.517 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CC2)cc1 1862408042 CKJAQUMFJTXISG-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(F)c2)c1 1862555455 FCQFYJOGLYSSAJ-QHCPKHFHSA-N 430.479 4.619 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2C)cc1 1862589593 OGFAEBZMZHSKCY-XMMPIXPASA-N 443.499 4.530 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2)cc1 1862590411 IEAYFTJUURUDPP-WNSKOXEYSA-N 447.462 4.879 30 10 IJEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c(O)c1 1862591514 IJMFBLTVIDTPAP-HTAPYJJXSA-N 439.508 4.741 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862660008 DRFUKEAOUJBASK-DEOSSOPVSA-N 445.563 4.821 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(OC)c1 1862677297 CHWLZXCGDBKLEL-OAQYLSRUSA-N 427.472 4.699 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 1862756695 QHDNGNHDPNVMKD-IBGZPJMESA-N 444.846 4.908 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@H](NC(=O)c2c(F)cccc2Cl)c2ccccc2)cc1 1867931600 RHBRPYAJDZVAEK-RBBKRZOGSA-N 435.886 4.640 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)nc(C(C)C)n1 1869103994 UKXLVULGFYTQDH-JOCHJYFZSA-N 438.019 4.851 30 10 IJEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1870150825 UPJMXFHGEXEYGC-UHFFFAOYSA-N 439.319 4.737 30 10 IJEE Cc1ccccc1CCC(=O)Nc1c(C#N)nnn1-c1ccc(OCc2ccccc2)cc1 1870151791 LVFALDMAWFSABK-UHFFFAOYSA-N 437.503 4.598 30 10 IJEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCC[C@H](C)C2)c1 1870348143 KVNDSZOPQKNDES-QFIPXVFZSA-N 441.575 4.888 30 10 IJEE C=CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CN(C)CCCC)cc1=O 1870387325 YXSZOXGOTHBMQK-UHFFFAOYSA-N 442.600 4.685 30 10 IJEE CCCCCCCOc1cn(CCN2CCOCC2)c(CN(CCC)CCCC)cc1=O 1870410722 CLPSPPOTLJOEHQ-UHFFFAOYSA-N 449.680 4.542 30 10 IJEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870663825 PEWTXUVSHBCISW-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)NCc1ccccc1 1871419629 LFFQLOVMAKVTPX-UUYOSTAYSA-N 437.854 4.791 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccccc1 1872080401 YAFOYHNWSVZDCE-QHCPKHFHSA-N 428.598 4.869 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872223887 BDFGNHACNDBITE-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE CCOC(=O)Oc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759276 JHERDTDULGGIAE-QGZVFWFLSA-N 437.433 4.744 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(=O)OCC)=C(c2c(Cl)cccc2Cl)C1=O 1873289590 VJPLQTADGWYVCM-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE Cc1ccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCCCO)cc1 1874217972 OGWFASRJACCAKJ-ZMOGYAJESA-N 444.988 4.792 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccn1)Nc1ccccc1 1874365232 RHSYHQRCQSLIBJ-AFUMVMLFSA-N 448.939 4.607 30 10 IJEE Oc1nc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccco2)nc2ccccc12 1874408589 FBBNQCQAIXKKGH-ZVHZXABRSA-N 448.552 4.817 30 10 IJEE Cc1cccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCC2)c1 1874496723 ATOLCTDAAULAKP-ZMOGYAJESA-N 430.537 4.677 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(F)cc1F 1874515268 VSBUAIOONNGWQG-YSURURNPSA-N 440.479 4.503 30 10 IJEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccccc2C)cc1 1874530807 BTAZOOJCRAWULZ-BUVRLJJBSA-N 437.569 4.687 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccccc2)cc1C 1874590685 HAIGFYOXOOFUNV-BUHFOSPRSA-N 429.516 4.903 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 1874605949 NKGAEBBDDMQNMZ-ZRDIBKRKSA-N 425.525 4.627 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)C(F)(F)F 1874696094 ICZSXKISQZCUOI-KRXBUXKQSA-N 429.188 4.822 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1C 1875107301 JKRKFALDRXTTPU-FNORWQNLSA-N 433.460 4.531 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1ccc(F)c(F)c1 1875162320 HSSFWFKTVICBGU-CZXUKVBWSA-N 437.236 4.708 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)C1CC1 1875176828 SISBPVWSCAVZJH-BJMVGYQFSA-N 430.884 4.967 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4ccc(C)cc4)nn3C)cc21 1890804050 LKVKBUDSKVJCEL-UHFFFAOYSA-N 444.535 4.585 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 1922073443 DKFMOVGJDUCBKL-GOTSBHOMSA-N 426.557 4.818 30 10 IJEE CC(C)(c1ccc(C#N)cc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952478576 GXZOZJNGYHWPEF-XMMPIXPASA-N 440.499 4.828 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 1986261445 COSNFIWUVGGLFN-ROUUACIJSA-N 430.511 4.829 30 10 IJEE Cc1nn(C)c(Br)c1[C@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2076861286 DQSZTYVKWWEMSY-ZDUSSCGKSA-N 425.352 4.555 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 2078848338 SROOGHMBBRMGJU-DVECYGJZSA-N 445.560 4.976 30 10 IJEE Cc1ccc([C@H](C)n2nc(C3CCC3)c(/C=N/O)c2I)c(F)c1 2079087450 LPEWUGGLINXSAD-QQZXWGPFSA-N 427.261 4.620 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1F 2080102133 PIVVJDDODCWFOL-KRWDZBQOSA-N 439.272 4.630 30 10 IJEE CC[C@@H](c1ccc(OC)c(F)c1)n1nc(C(C)(C)C)c(C#N)c1I 2080118188 PVJCIPQUUIAVJS-AWEZNQCLSA-N 441.288 4.804 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(CC)[nH]c1Br 2087656653 AQMJJZGZFRRVQB-DZGCQCFKSA-N 429.403 4.635 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2F)C1 2106029835 HDRUQOANHZHACB-OCCSQVGLSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Nc3cc(Br)c(C#N)cc3F)C[C@H]2C1 2162385332 MURCLVPTUWPBEK-QEJZJMRPSA-N 438.341 4.907 30 10 IJEE C=CCC1(NC(=O)c2ccc(Br)c(C)c2)CCN(C(=O)OC(C)(C)C)CC1 2174759539 DFWIMTZTWPSDRJ-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC(F)(F)C[C@@H]2CC#N)ccc1Br 2233993522 ALIMOARAIWPUSQ-LBPRGKRZSA-N 444.276 4.560 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1cncc(NC(=O)OC(C)(C)C)c1 2235721544 IZKIBMNRRSGCDF-IBGZPJMESA-N 430.346 4.893 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 2235734460 WMSRSOAXVTWBRG-MOPGFXCFSA-N 435.406 4.958 30 10 IJEE CC1(C)CC[C@@](N)(C#Cc2ccccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 2235734554 RIMFZYIQEZPKHD-VGSWGCGISA-N 435.406 4.849 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2235735060 YJXZSMFRMOSNLJ-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](N)C#Cc1cccc(Br)c1 2242577081 ZPPISFTUUMOAMX-FQEVSTJZSA-N 429.358 4.565 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](CC#N)C1 2243927206 RVPXDMWDGFQFLF-KBMIEXCESA-N 445.563 4.702 30 10 IJEE C[C@]1(Nc2c(Br)cccc2C#N)CCCN(C(=O)OCc2ccccc2)C1 2248978208 DVCWFWFIYRFDKW-NRFANRHFSA-N 428.330 4.924 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CCCCC3)ns2)OC1(C)C 2255836739 DHISICRVJANBCH-UHFFFAOYSA-N 440.418 4.665 30 10 IJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2256730786 IZTOAVUIHFDIIV-HOFKKMOUSA-N 439.644 4.740 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)ccc21 2266996384 OJHRWFKNMVAHQT-UHFFFAOYSA-N 442.365 4.939 30 10 IJEE C=C(COC(C)C)[C@H](OCCCN)c1cc(Br)c(Br)s1 2293424975 JSPQDELPTMEWIW-ZDUSSCGKSA-N 427.202 4.661 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCCCN1C(=O)OC(C)(C)C 2296219112 KZSZBCWYGFJHFD-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](N)(C#Cc3ccc(Br)cc3)C[C@H]21 2296231101 ZWYMBXAEVUJHRW-SFGWALBWSA-N 433.390 4.698 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cn(C[C@H](O)CN3CCCCC3)c3ccccc23)cc1 2297359214 ARJATSLOOVMPBD-HSZRJFAPSA-N 432.564 4.783 30 10 IJEE C=CC[C@H](Oc1cc(NC(=O)OC(C)(C)C)ccc1N)[C@H]1CCN1C(=O)OC(C)(C)C 2299393489 NKTZPEZYGYRSSX-MSOLQXFVSA-N 433.549 4.949 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 2305321650 FOLDOQWFFRKXLB-NLFFAJNJSA-N 430.589 4.849 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2306619506 DMICNEKONZUGJY-BUUDZMLXSA-N 428.573 4.555 30 10 IJEE CC#CCN(CC(=O)Cc1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2316013674 KEOWBYYYUOERJS-UHFFFAOYSA-N 432.717 4.614 30 10 IJEE C[C@H](CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317355973 YRTRMOCQGRAHJG-QGZVFWFLSA-N 432.370 4.798 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2N=Cc2cn(C)c3ccccc23)cc1 2320956363 WMKFCBNPXKSMFD-UHFFFAOYSA-N 446.580 4.508 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)c(OC)c1 2322948555 ZASRUEZXESZBHN-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE CCCNC(=O)COc1c(Br)cc(C=CC(=O)c2ccccc2)cc1OCC 2323814089 MMDABXDOSGOPSQ-UHFFFAOYSA-N 446.341 4.649 30 10 IJEE CCOc1cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc([N+](=O)[O-])c1OC 2323866045 LBNUYJULPZILKU-UHFFFAOYSA-N 428.470 4.580 30 10 IJEE Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2324035741 HBYMQWBZAXTMKR-UHFFFAOYSA-N 427.500 4.816 30 10 IJEE COc1ccc(C=C2Oc3c(CN4CCOc5ccccc54)c(O)cc(C)c3C2=O)cc1 2324155717 FAORKXXDOUKFQE-UHFFFAOYSA-N 429.472 4.724 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1OCCCO 2324665338 CNDVDHBWJJICAI-UHFFFAOYSA-N 440.279 4.958 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)c3C)C2=O)o1 2325631051 RCIASTUQEWIEAK-HNNXBMFYSA-N 448.431 4.827 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2325716652 YTNJCNKHZIRZFY-UHFFFAOYSA-N 434.879 4.986 30 10 IJEE COc1ccc(OCc2nnc(SC)n2N=Cc2cccc(F)c2)c(C(C)(C)C)c1 2325815102 VGTIBCOJLQTGAR-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE Cc1cccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SCCCO)c1 2326034452 PQYMIYCLKLSCLC-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(F)cc1F 2326251922 BNVGNAYDPQEBST-UHFFFAOYSA-N 432.496 4.571 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1F 2329523237 YQCGRPGTVKZYDQ-UHFFFAOYSA-N 445.951 4.580 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccco1 2330459284 AUJDXTQFABOLJS-UHFFFAOYSA-N 445.548 4.637 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331081545 YUARTYRSXFBKMA-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c(O)c1 2331138397 DCOHCUNUZMYIRB-UHFFFAOYSA-N 428.823 4.536 30 10 IJEE Cc1ccc(COc2ccc(C=Nn3c(SCCCO)nnc3-c3ccco3)cc2)cc1 2331224600 QRAXZVIPYGALBY-UHFFFAOYSA-N 448.548 4.782 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1cccc(O)c1 2331320659 RPAAEDRMTNRESM-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)C(C)C)c(Br)c2)c1 2331386694 BXNWUYCVQKXXAV-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(F)c(F)c1 2331449328 NPSGZRRRGUIBBI-UHFFFAOYSA-N 438.382 4.817 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1F 2331450427 ISQRBZMODBNFDE-UHFFFAOYSA-N 432.753 4.860 30 10 IJEE C=CCSc1nnc(COC)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2331592176 YOVULWHNJVVBCM-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(Cl)cc1 2331630656 YNGWRDXDHMYERJ-UHFFFAOYSA-N 431.924 4.636 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2)nnc1C1CC1 2331728830 MZXBSHVOSCVKGS-UHFFFAOYSA-N 447.564 4.642 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339586439 FZSFHJJACQPINF-NFBKMPQASA-N 433.405 4.906 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339587390 UHAKLXARLMMKBJ-XMMPIXPASA-N 443.397 4.832 30 10 IJEE N#CCCN(Cc1ccc(I)c(Br)c1)CC1CCC1 2349803362 LFGMRXFBOJBKOD-UHFFFAOYSA-N 433.131 4.569 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@H](O)C#Cc3ccc(Br)cc3)(C2)C1 2360194262 KZPPGARSWMYFTP-SFGWALBWSA-N 434.374 4.589 30 10 IJEE CC#CCN(CC(=O)Nc1ccc(Br)c2ccccc12)C(=O)OC(C)(C)C 2363138226 SJTWXNGSIWOKEI-UHFFFAOYSA-N 431.330 4.801 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 2370055981 AGLKZLOFYLHOFD-AWEZNQCLSA-N 449.267 4.713 30 10 IJEE N#Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)sc2c1CCCC2 20569462 DJACQZDPHGKJND-UHFFFAOYSA-N 437.546 4.552 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)c1 38593416 UKSLFFZWMDGIJD-HYBUGGRVSA-N 445.515 4.699 30 10 IJEE C=CCc1ccccc1OCCCCn1c(CCCN2CCOCC2)nc2ccccc21 39917613 MPCAUYMQRVWQKV-UHFFFAOYSA-N 433.596 4.889 30 10 IJEE CCc1ccc(N/C(=N/C(=O)c2ccc(Br)cc2)NCc2ccncc2)cc1 45940348 GHRFPODJGJTINR-UHFFFAOYSA-N 437.341 4.805 30 10 IJEE CN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 59446496 QGLNQFUUUOPWSD-QGZVFWFLSA-N 436.364 4.882 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Br)cc1Cl 63404094 PYTPGTZHKQUTIO-UHFFFAOYSA-N 438.709 4.909 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921543 PEQPNTGZOWEJCR-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCCOc1c(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cccc1OC 169943468 KVLQBBAKFFTAEV-UCQKPKSFSA-N 425.510 4.840 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccccc1C 169946363 CYCJKQSQIATVAF-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)cc1 169968955 JGOIGXFCYABUEU-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccn1 169994003 GPKNOODUUFTIIM-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170083089 DVQAEXBIJYCTFS-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 170159705 RLHNSTHRKCBCQN-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)cc1 170186730 XCLBQOIJUFWKCM-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)c1 170218833 BWMCALSLUKIZOK-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2F)cc1 170249457 KZZKGZNBLPDGJQ-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(O)c2)cc1 170259660 IXIAPBWKXAGQOZ-UPCLLVRISA-N 441.483 4.807 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccco1 170281515 ZCYBTRNBHIPLSZ-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC(C)=O)c1 170321024 AOSOIDMROJSBOP-JOCHJYFZSA-N 433.460 4.737 30 10 IJEE CC(C)CNC(=O)[C@@H]1CCCN1c1cc(-c2ccc(C#N)cc2)cc(-c2ccccc2O)n1 248164570 NQRJYUCDIDGGMG-DEOSSOPVSA-N 440.547 4.734 30 10 IJEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)SC1=Nc1ccc(C(=O)O)cc1 252623978 PDKJWMQAZRNVGP-XMVHLTQBSA-N 448.456 4.577 30 10 IJEE C=CCOc1ccccc1C(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC 435169181 SKCDROPKTUSHPN-UHFFFAOYSA-N 427.451 4.929 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2ccc(O)cc2)CC1 460959760 RIAUFOHWALXWSC-UHFFFAOYSA-N 434.540 4.628 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 497388919 KVLMCEJUVYYJHX-UHFFFAOYSA-N 435.490 4.703 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCCC(=O)OC 504294490 YZOYYAGAGOZILB-QZGNXELUSA-N 445.600 4.817 30 10 IJEE biogenic C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2ccc(OC)cc2)CC1 508812357 KTYPJTVMIYDDPY-UHFFFAOYSA-N 434.540 4.541 30 10 IJEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526663047 OTJVZRRGNDHKOX-UHFFFAOYSA-N 436.496 4.728 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(OC(C)C)cc1 526826549 VCIGWUWQQFHZHP-OYKKKHCWSA-N 438.553 4.589 30 10 IJEE C=CCN(C(=O)c1cc2cc(C)cc(Br)c2o1)c1nc(C(=O)OCC)cs1 542935776 HYKHJPJLBAMJQX-UHFFFAOYSA-N 449.326 4.970 30 10 IJEE C=CCN(C(=O)[C@H](C)Cc1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 576495587 OCYDQZYTVFHAMM-QGZVFWFLSA-N 440.590 4.611 30 10 IJEE C=C(CC(=O)c1ccc(F)cc1F)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585826514 SXGIWZDNHASFDT-UHFFFAOYSA-N 441.522 4.537 30 10 IJEE CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N 609403959 NCQTVEAFNUAANI-QGZVFWFLSA-N 427.545 4.845 30 10 IJEE N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 610278111 TZBOLFGTAXGIMW-AWEZNQCLSA-N 435.409 4.958 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@](C)(O)C(C)(C)O)C[C@H](O)C[C@H]1O 669678951 KRGCLKZOZQUAFK-VSWPTRFWSA-N 444.656 4.842 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 670214946 BVLCVGPKQDTNPU-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)cc(Br)c1OC 731564599 MBACJEQESTUYMV-GQCTYLIASA-N 446.219 4.872 30 10 IJEE C#CCN(C(=O)NC/C=C/c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 733348031 FQNHFLPEYPIKFX-AQDCRGGLSA-N 425.326 4.631 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=S)NC3CCN(Cc4ccccc4)CC3)c2)s1 739436968 FVHADFMQERCKHQ-UHFFFAOYSA-N 446.645 4.915 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\[C@@H](C)c1cccs1 742213643 LKFKNWVKELBVQL-WLFAEHHCSA-N 443.569 4.690 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)c1ccc(C(F)(F)F)cc1 750290781 CJGNFUACQZZTAN-IBGZPJMESA-N 429.446 4.793 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)NC3CCN(c4ccccc4C#N)CC3)cc2)cc1 760459625 YYQSIJUKCLYQBF-UHFFFAOYSA-N 439.515 4.952 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)c1ccccc1OCC#N 781656872 FMLCGAWODCWRLR-UHFFFAOYSA-N 445.313 4.544 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 786569102 NCXZAJHDBVTEFR-QGZVFWFLSA-N 442.368 4.674 30 10 IJEE C=CC[C@]1(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)CCCN1C(=O)OC(C)(C)C 791716309 CACFFVJSRHPTNU-JOCHJYFZSA-N 447.919 4.779 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1=S 797414376 AAXXWFBRMUBHHJ-HOIFWPIMSA-N 449.020 4.536 30 10 IJEE C=CC[C@H](NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12)c1ccncc1 805314477 GQAIUMXRNWIMHY-UIOOFZCWSA-N 435.527 4.874 30 10 IJEE C#CCN(C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1)C1CCCC1 810190976 HPNBSYVZGGAILQ-UHFFFAOYSA-N 426.538 4.682 30 10 IJEE CCN(CC)c1ccc(C=NNc2nc(S[C@H](C)c3nnc(C4CCC4)o3)n[nH]2)cc1 1084560713 JSIKKLKUWAWLJY-CQSZACIVSA-N 440.577 4.601 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3-c3ccc(Cl)cc3)cc2C1=O 1125672510 HBSRGIMNABOTQO-UHFFFAOYSA-N 430.891 4.719 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)c1 1125714371 TWEVJFKXBMXVKB-NRFANRHFSA-N 428.557 4.878 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1126230469 YFUQNFHENLKWDR-GGPKGHCWSA-N 428.301 4.677 30 10 IJEE CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H](Cc1ccc(F)cc1)C(C)C 1126550551 BWXQJNVTSATWRD-FQEVSTJZSA-N 447.348 4.954 30 10 IJEE CCCc1noc2nc(CC)cc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)c12 1127384745 ICWXZZYDHKDZNT-UHFFFAOYSA-N 434.887 4.701 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 1128330402 JVUTWEXKUNIOQN-MRXNPFEDSA-N 429.321 4.880 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 1131105078 AVPHBPYMBFWYJG-YOEHRIQHSA-N 433.936 4.591 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 1148991239 IVEZHWGIOJDZCE-SLFFLAALSA-N 438.996 4.764 30 10 IJEE COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)C[C@H](CC#N)c4ccccc4)CC3)c2c1 1178386987 BFUOWIZSSWNJAP-FQEVSTJZSA-N 429.520 4.748 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nccn1-c1ccc(C)c(C)c1)c1ccccc1 1180150798 RADQZBWLODPPBF-GDLZYMKVSA-N 425.579 4.821 30 10 IJEE COc1ccc(-c2nc(SCc3cnc(OC)c4ccccc34)nc(O)c2C#N)cc1 1188290950 AIMBCLJJLBHRPN-UHFFFAOYSA-N 430.489 4.579 30 10 IJEE CC(C)[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(Cl)cc1 1190051995 CVBGYXOYMYWWKY-MRXNPFEDSA-N 441.778 4.692 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)c2ccccc2Cl)cc1 1209927211 HWBFESBNRMVRHT-NRFANRHFSA-N 447.343 4.942 30 10 IJEE C=CCN(C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C)[C@H](C)COC 1216313596 YFHIPOILYFXSQV-GFCCVEGCSA-N 430.858 4.814 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C)c1ccc(Br)cc1 1252458997 NXWZCVXANNQPSN-GCJKJVERSA-N 440.385 4.661 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ccccc2)C1 1256697217 OKFHXODVUWTMGC-JOCHJYFZSA-N 448.567 4.571 30 10 IJEE C#CCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OC(C)(C)C)C2 1265781137 SORJMNWGVXOZTO-UHFFFAOYSA-N 448.585 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1286273457 FCLWNIQNDAFBTF-GSRZOBFVSA-N 442.991 4.549 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC1CCN(CCC(C)C)CC1 1286291196 UFNOIGVZJTVXHQ-NRFANRHFSA-N 444.627 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286301476 LNOCISGMZBKJRD-HKUYNNGSSA-N 449.624 4.561 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br 1286322155 AMFNTCJGSHIYHS-LJQANCHMSA-N 431.378 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C1CCCCC1)N(C)C 1286365688 HAAHVNIFKMNLES-NRFANRHFSA-N 439.673 4.855 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)c1ncc(C)s1 1286453861 CSCPLPMPZXYZQP-INIZCTEOSA-N 425.577 4.923 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](C)N1CCCCC1 1286516771 KFMBVSIFUICUOS-HOYKHHGWSA-N 443.998 4.994 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@H]1CCCCN1CCCC 1286528418 ZSBQOGGNMMFQOS-SHQCIBLASA-N 433.644 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCc1c(C)noc1C 1286566924 QAPSJYCZYAMJGO-UHFFFAOYSA-N 444.377 4.958 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286584257 BPQNQWZCVNAGHT-MSOLQXFVSA-N 436.629 4.872 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCc2cc(C(F)(F)F)ccn2)CC1 1286643935 AZNGTURSSGOPQG-UHFFFAOYSA-N 431.437 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)CC1COC(C)(C)OC1 1286674281 CFOSCWXLDQZCBV-UHFFFAOYSA-N 442.604 4.603 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286682289 JKOGNBNYDXFSOK-UHFFFAOYSA-N 448.615 4.791 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1286694628 WDGGHGIZPBNJTM-HSZRJFAPSA-N 439.648 4.756 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1286704689 YQRZRRNCIOAETJ-FQEVSTJZSA-N 425.621 4.651 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1286706225 LOXCSVXNOKQBKD-ZWKOTPCHSA-N 448.995 4.668 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cscc1C(F)(F)F 1286718090 XGINGYPOYNWYJW-UHFFFAOYSA-N 446.296 4.787 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1286740125 YSOPHLOKJPCSIE-HFZDXXHNSA-N 437.632 4.831 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCCC1 1286740617 ROPHLIKTKVGSMS-UHFFFAOYSA-N 439.648 4.942 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)[C@@H](C)C2)cc1 1286796175 IHKYYTUPJGZTFZ-IYRWYFENSA-N 438.616 4.902 30 10 IJEE C=CCCC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 1287603954 SIVZDUZBXMQNIW-SFHVURJKSA-N 437.378 4.659 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1OC 1294551905 BCEGDRASHHGRIP-NQMFJVEYSA-N 446.591 4.786 30 10 IJEE C#CCN(CC(=O)Nc1ccc2ccn(Cc3cccc(OC)c3)c2c1)C(=O)OC(C)(C)C 1295921025 JASZVJBURQQSJT-UHFFFAOYSA-N 447.535 4.507 30 10 IJEE C#C[C@@H](CC)NC(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1297452611 YRBNZZNFTNZPOP-GAJHUEQPSA-N 436.939 4.564 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1CCCCO1)C1CCCCC1 1298187057 FDQBURHJKHDXAG-QFIPXVFZSA-N 437.588 4.847 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCO[C@@H]1CCCC[C@@H]1C 1300564608 GIKXJSLCMWCHQC-PGRDOPGGSA-N 442.966 4.796 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1300602889 VFUSAQFSZYCWAW-NRFANRHFSA-N 441.501 4.936 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1300644120 RTRZKWQWHMOYIK-IFMALSPDSA-N 426.630 4.934 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](CC)N1CCCC1 1300650856 YYPKQDFNZDBTTM-JOCHJYFZSA-N 425.596 4.520 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(C)CC1 1300751059 DRLBOTQROVOOBC-UHFFFAOYSA-N 426.630 4.973 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1300767641 CQYHUURZRQQNSD-LEWJYISDSA-N 430.662 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301143624 LVJIEMVCBIHKMQ-INIZCTEOSA-N 425.499 4.522 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1301308638 HYSYGZWPMLZNHT-PMACEKPBSA-N 426.605 4.982 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)c2cccs2)C1 1301546386 QVNCGXJGKYDTFX-HXUWFJFHSA-N 438.597 4.774 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc2c(cc1Br)OCCO2 1310020092 SECQOQWGNKLURW-UHFFFAOYSA-N 433.302 4.762 30 10 IJEE CSc1ccc([C@@H](CNC(=O)N2CCC[C@H](C#N)C2)N2CCc3sccc3C2)cc1 1311451204 GLUFFNFUUQTQKK-DYESRHJHSA-N 440.638 4.515 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1 1349285924 MJFQETWPJOKOGB-XXBNENTESA-N 426.582 4.796 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(CNC(=O)OC(C)(C)C)s1 1349910404 JGHHDUMDQCBAID-UHFFFAOYSA-N 427.979 4.711 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](OC)[C@@H](C)CC)c1ccc2c(c1)OCCO2 1351532078 PNWDIVKMLIJJCF-MHECFPHRSA-N 425.525 4.617 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cn3ccc(Br)cc3n2)c1 1352620158 IXZLIFSXFPBTDO-UHFFFAOYSA-N 430.305 4.925 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3c(C)cccc3o2)c(C(=O)OCC)c1C 1352793585 RSFBZWGJPNBSEO-UHFFFAOYSA-N 427.478 4.883 30 10 IJEE Cc1cccc(Oc2ccc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)nc2)c1 1357658277 BRTHTEHGDZZMJK-UHFFFAOYSA-N 440.503 4.545 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1357743513 HVKJGLHIZLQBJQ-UHFFFAOYSA-N 425.697 4.816 30 10 IJEE C#CCC1(C(=O)Nc2ccc(Br)c(I)c2)CCCCC1 1358141783 NKGZXWIXUJWPRU-UHFFFAOYSA-N 446.126 4.966 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@](C)(O)c1ccccc1 1358877348 CCGIJBIWAFJREX-MVYHEMRASA-N 448.636 4.887 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1358916830 YOSIZJRMKGKIKP-QHCPKHFHSA-N 436.600 4.530 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1358930763 CWBQWQAQGTVYSQ-YLJYHZDGSA-N 437.802 4.956 30 10 IJEE C#CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cccc(OC(F)F)c1 1358936161 FLNAZIWYGVBCHW-UHFFFAOYSA-N 426.471 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(C)cc(C)cc1C 1359107701 SPFDLSBTJYYAOC-VWLOTQADSA-N 426.605 4.695 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1Cc1cccs1 1359128208 MWQXFMCOEPZJRX-HXUWFJFHSA-N 438.597 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 1359184300 KOXCQQWBHJZDKR-NRFANRHFSA-N 445.409 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1359188235 JIGRLSWSIMHKKJ-UHFFFAOYSA-N 439.604 4.710 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(CC)C1)c1ccccc1 1359196097 XGNLNPLATBTDTP-BVAGGSTKSA-N 448.615 4.505 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1359205668 GDFUHWITGHCYGD-UHFFFAOYSA-N 436.560 4.597 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](OC)C(C)(C)C1 1359223368 JGLAOUSESADTBW-LAUBAEHRSA-N 444.645 4.585 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1359224624 XRHCRLIVOVXIIX-UHFFFAOYSA-N 433.478 4.578 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)Cc1cccs1 1359294896 IKWKTQUKGCZPJP-UHFFFAOYSA-N 437.613 4.633 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(CCC)cs2)nnc1-c1ccc(Cl)cc1 1435763642 HSBFXUALWWJEQG-UHFFFAOYSA-N 433.990 4.924 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)CCCN1C(=O)OC(C)(C)C 1435774518 WSIDACUEIZSDAS-VWLOTQADSA-N 447.539 4.909 30 10 IJEE C=CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)OCC 1435901644 URPQFRYRIDOPFM-JOCHJYFZSA-N 438.524 4.695 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N(Cc3ccccc3)Cc3ccc(F)cc3)C2)c(F)c1 1442409449 DVCHVNFVGSDFPE-QFIPXVFZSA-N 431.486 4.892 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C)c1ccccc1 1450695414 VNFGIUBOLITSGI-UHFFFAOYSA-N 436.533 4.637 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)c1 1455928961 QSQJXWHVNKNTSQ-UHFFFAOYSA-N 436.552 4.902 30 10 IJEE C=C(C)[C@H](CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC 1456128063 XLYYRKJRKDBSMR-YADHBBJMSA-N 430.589 4.786 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(C(C)C)CC2)c1 1457329662 SANPHLAZLWIISR-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE C=C(C)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1-c1ccccc1OC 1458775950 NHEMXZRRBSMYDQ-UHFFFAOYSA-N 445.610 4.733 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)Oc1ccc(C)cc1Br 1459979147 DJFBAFGZHNEJBE-KRWDZBQOSA-N 434.378 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1464091890 BQNAEALYFBFJGG-HXUWFJFHSA-N 436.512 4.864 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(-c3ccc(OC(C)C)cc3)cc2F)C1=O 1466734913 MCDZNSKGNWSZGK-QFIPXVFZSA-N 425.504 4.531 30 10 IJEE C=CCCSCCNC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 1469868876 PYPUMTINSUQVMZ-LJQANCHMSA-N 434.403 4.736 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=[S@](C)(=O)CC 1471987030 SHSBUBNAKSARKJ-WKRVVKTRSA-N 440.565 4.504 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 1472929431 VMHBWXKBINUYJK-KRWDZBQOSA-N 446.981 4.793 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCCO[C@H]2C(C)C)cc1OCC 1474027532 GJJQEPITQSZDBJ-PXNSSMCTSA-N 426.395 4.953 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C)c(Br)c(F)c2)cc(OC)c1OC 1476736759 CVPYEAHZLCTSDM-UHFFFAOYSA-N 437.309 4.964 30 10 IJEE Cc1ccc(SC2(CNC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CCCC2)cc1 1478086244 CJTSXWLCYQXHQA-HSZRJFAPSA-N 448.636 4.820 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2csc(C(C)(C)C)n2)n1 1492513209 BZEBTIYAFZZYOE-DEOSSOPVSA-N 449.628 4.775 30 10 IJEE Cc1csc([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)n1 1492637996 BTCNCRXYXQAQHR-SFHVURJKSA-N 434.613 4.762 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1507566665 HTPKZLSRNRXTQH-UHFFFAOYSA-N 431.625 4.554 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CC12CCOCC2 1507600198 CPLLIPDFFJUZIE-RBUKOAKNSA-N 442.991 4.574 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(OCC2CC2)c1 1507606870 AAFQXFYQASMBPO-UHFFFAOYSA-N 429.568 4.544 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1507676471 MGAQZEVJBYPXDJ-BWKNWUBXSA-N 436.625 4.689 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1507754374 CXWKTIKVJZYROW-NRFANRHFSA-N 438.622 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)c1ccccc1 1507760695 FLXGQFUXQLJQEH-JOCHJYFZSA-N 436.357 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1507912013 CUQKBKZKNJGDEF-KNQAVFIVSA-N 434.588 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1507912925 MEZHNFQZDUANNX-GCJKJVERSA-N 434.588 4.877 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1COCCO1 1507929529 RQTPRNYAIWYICX-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1COCCO1 1507929533 RQTPRNYAIWYICX-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)OC1CCCC1 1507954961 SQMFJOKVTKWEIO-UHFFFAOYSA-N 433.597 4.669 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507971929 DORAWTIVYYFNEK-HRCADAONSA-N 431.378 4.775 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1F 1507979634 SJOTUIJEEGWLEP-LJQANCHMSA-N 443.567 4.511 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccs1 1508021366 RVYKMQTVJSAJON-SFHVURJKSA-N 429.590 4.638 30 10 IJEE CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1518658904 DTDLIHKCJLYWSU-ZDUSSCGKSA-N 430.302 4.706 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 1520957734 FNUKKWJFZWWDBH-UHFFFAOYSA-N 447.278 4.582 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCC1(c2ccc(Br)s2)CCC1 1521044466 MOZOXDVYNUKPDJ-UHFFFAOYSA-N 436.371 4.936 30 10 IJEE CC(C)c1ccc(Oc2cc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccn2)cc1 1527081576 DIWWLRCZMXVNDT-QFIPXVFZSA-N 428.492 4.557 30 10 IJEE COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c1 1530202046 ALZOYLIKKJOPSK-UHFFFAOYSA-N 427.272 4.926 30 10 IJEE Cc1cccc(-c2cnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)s2)c1 1531983062 HSIFDNKQTSUUDV-MRXNPFEDSA-N 436.924 4.635 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc1OC 1534113340 NXBZCZQCWUZUPM-LUYCFMQYSA-N 437.536 4.647 30 10 IJEE C#CC[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2F)CCCN1C(=O)OC(C)(C)C 1535320538 GMIUDWKTLHFMKR-HXUWFJFHSA-N 429.319 4.542 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)Cc1cnc2ccccc2n1 1535433031 MPEOXOBYXNNRRR-CQSZACIVSA-N 426.314 4.774 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)c1ccc(Br)cc1 1535479625 VJQOWLLVHNWIQU-LJQANCHMSA-N 425.351 4.914 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1537697701 SUQLYVJTSOJJQF-PZJWPPBQSA-N 448.579 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[C@H](C)N1CCCCC1 1539036153 YSHJHUZDUPMRHJ-SFTDATJTSA-N 425.646 4.601 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C2CC2)CC1 1539238563 ALUAYCGYNDIODR-LJQANCHMSA-N 436.987 4.951 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1csc(CC)n1 1539350374 JRSRGIQRMRBSJM-OAHLLOKOSA-N 425.627 4.658 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1oc(CC)nc1C 1539377124 FIMJDRWOHBFHQQ-UHFFFAOYSA-N 435.572 4.521 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1539524480 GDPAQCQGFOBVKB-OAQYLSRUSA-N 445.032 4.609 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1COCCO1 1539652527 XCJJCEVEVRHJCR-QHCPKHFHSA-N 449.599 4.561 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1539916186 HVPMORXVYMUDIN-HSZRJFAPSA-N 437.632 4.753 30 10 IJEE C=CC[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC)c1ccccc1 1539941010 YKVDXYAVDSRIJC-QHCPKHFHSA-N 445.615 4.658 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1539975322 RMLQVULDUBWURB-XMSQKQJNSA-N 445.558 4.647 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1540014529 PCHYYKOGSUKPPP-YTFSRNRJSA-N 438.616 4.840 30 10 IJEE CC(F)(F)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@](C)(C#N)C1 1541894825 CSLPWCSURINGDF-LJQANCHMSA-N 425.430 4.722 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)c2nc(C)cs2)c1 1542157694 CJAGGECRMYAFKL-PKOBYXMFSA-N 438.601 4.781 30 10 IJEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)n1 1542656364 ARSNNMLMTRIPHE-QFIPXVFZSA-N 444.583 4.547 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H]2c2ccc(Br)cc2)c(OC)c1 1545221336 OYMNZAIAOOBMHD-IBGZPJMESA-N 430.342 4.929 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cn2ccc3ccccc32)n1CCCC(F)(F)F 1555995380 GNEMHHSTRRJRKO-UHFFFAOYSA-N 430.478 4.754 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)c(Br)c2)CC[C@H]1C(F)(F)F 1559282457 SJRPQSPPJNUHLV-HIFRSBDPSA-N 448.283 4.603 30 10 IJEE CCn1cc([C@H](C)NCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)cn1 1559835196 CZCYSSPZXQWYHZ-RDJZCZTQSA-N 427.618 4.667 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 1561226980 RHSQADYVLKVHHM-UHFFFAOYSA-N 433.154 4.952 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)c2ccc(-c3ccccc3)cc2)cc1 1562197174 FQDCWOFJIPUFKC-UHFFFAOYSA-N 435.549 4.828 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1562640402 MZLJTYXZMIFSPA-JOCHJYFZSA-N 428.467 4.750 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(NC(=O)C2CCC(CCCC)CC2)cc1)[C@H]1CCCO1 1563927231 KJNVWIBBJSLETI-JZQAIOGPSA-N 439.600 4.602 30 10 IJEE C=CCCCN(CC)C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1564190844 BSHUAXUQZDNPBG-HSZRJFAPSA-N 428.598 4.740 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCc3cc(Cl)cc(Br)c3C2)cc1 1564735304 ZCLOIVQNYPSWEM-UHFFFAOYSA-N 435.749 4.935 30 10 IJEE C#CCN(C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1564772731 OJUDRHLSKBGFFZ-JTHBVZDNSA-N 439.600 4.889 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cccc(Br)c1)c1ccc(Br)cc1 1564999204 IAUICLRAOZDIND-QGZVFWFLSA-N 436.147 4.728 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2c(F)cccc2F)CC1 1570288662 XQQABFMIMYJKAH-OAQYLSRUSA-N 436.543 4.996 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4ccc(OC)cc4)CCCCC3)n[nH]2)c1C 1583207938 NOWDTFAHTPBKRC-UHFFFAOYSA-N 447.583 4.717 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1ccc(Cl)c(Cl)c1 1585919731 QDBCRDHUPSAGIX-INIZCTEOSA-N 448.393 4.621 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCC(C)CC1 1587585401 ALXIJDWEYVGZLL-PMACEKPBSA-N 439.673 4.711 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1587783242 MPHLCLCYZBAUNU-SIKLNZKXSA-N 447.410 4.989 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1588035542 ILUBYPQWIPKQPS-UHFFFAOYSA-N 447.000 4.956 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCC(F)(F)C1 1588481096 FXJFKCRFISCDNN-GOSISDBHSA-N 425.458 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCC[C@@H]1CCCCO1 1589242820 KYJFZIHIICPVJU-BKMJKUGQSA-N 436.600 4.815 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)CCSC 1593666555 GYLBQYOJXRNNGY-HNNXBMFYSA-N 439.423 4.774 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1593817930 LFLGVXZRBVBLGF-CQSZACIVSA-N 448.329 4.921 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1593884218 FNSVIZUFDCYTEN-UHFFFAOYSA-N 439.025 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCNC(=O)[C@H]1CC 1594461755 XSAWPJSHAZJKPF-GOSISDBHSA-N 441.645 4.593 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594528092 FLFIAWXZZMIZLY-CJFMBICVSA-N 448.652 4.705 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C 1594529706 XFSNRMJRUYIUTB-UHFFFAOYSA-N 429.634 4.638 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1594608722 VQNLEOVTARXNEX-OAHLLOKOSA-N 446.477 4.729 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1594752382 IDRYAEQEPOKIKN-NRFANRHFSA-N 436.604 4.543 30 10 IJEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1594753140 YDFKCZJKIAGXNY-UHFFFAOYSA-N 445.489 4.595 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1595185015 KPQHTICHKOIUNK-PMACEKPBSA-N 449.599 4.758 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1595890137 KFDMRJLURKKAQD-RHSMWYFYSA-N 428.499 4.562 30 10 IJEE C#CCN(C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)[C@@H]1CCCc2ccccc21 1617567333 YAIHACMLGWSCOJ-XMMPIXPASA-N 428.532 4.792 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@@H]1C 1619460255 FMXZERZITVVTCB-PKOBYXMFSA-N 425.602 4.755 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1623360186 RJDMNFXATVNGLK-DFBJGRDBSA-N 430.548 4.778 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(OC(F)(F)F)cc1Br 1623821511 HNTDYEMAGGRHBP-UHFFFAOYSA-N 448.235 4.652 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccc2)nc1 1626124480 BLXSGAIYWMMKDQ-FQEVSTJZSA-N 425.529 4.849 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 1628632345 KKMXZUNQEMQCSC-IBGZPJMESA-N 432.351 4.808 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCOC1(C)C 1635827506 MXPLTNTXVBHAJZ-ZEQRLZLVSA-N 448.563 4.544 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 1639005551 HMDBNKZMTMLWHX-SFHVURJKSA-N 442.934 4.782 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C 1640741278 PCRFYDVSIITHAK-UHFFFAOYSA-N 440.540 4.557 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccc(F)c(Cl)c3)C3CC3)ccc2c1=O 1640916752 HQKCWOVVKONVMC-LJQANCHMSA-N 443.931 4.545 30 10 IJEE C=CCCCCCSc1nnc2n(Cc3ccccc3OC)c(=O)c3ccccc3n12 1643473110 GIGMZPQKUHDKCZ-UHFFFAOYSA-N 434.565 4.940 30 10 IJEE C#CCN(C(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1647736357 IBFCRSPZYHPNJM-QFIPXVFZSA-N 431.536 4.532 30 10 IJEE C#CCN(C(=O)c1cc2c(ccc3ccccc32)[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973638 REYVQKMSFXMJQD-UHFFFAOYSA-N 431.536 4.796 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2nc3cc(Br)ccc3o2)CC1 1653479587 AJQFNUITBGJPFA-GOSISDBHSA-N 445.748 4.626 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cccc(CC(=O)OC(C)(C)C)c1 1655717438 GEXTWXTZWYMYSE-UHFFFAOYSA-N 430.342 4.957 30 10 IJEE C=CCCn1cc(CN[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)nn1 1656595217 LAKUIOPPNHBQHF-QFIPXVFZSA-N 425.374 4.864 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 1657878202 YJHABWPLRRNVGE-MRXNPFEDSA-N 433.821 4.744 30 10 IJEE N#C[C@H]1CN(Cc2ccc(Br)cc2C(F)(F)F)CCN1Cc1ccccc1 1658695054 CWAQJEASFUZCCE-SFHVURJKSA-N 438.291 4.678 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1666136568 NGQURPYRKXODAI-XMMPIXPASA-N 448.629 4.750 30 10 IJEE CN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)S(=O)(=O)CC1(C#N)CC1 1671629919 BULFEXJBZZDNTQ-UHFFFAOYSA-N 425.337 4.851 30 10 IJEE C#Cc1ccc(NC(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)cc1 1673629543 NPIVHNOIMKMVAJ-UHFFFAOYSA-N 437.540 4.939 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(Br)c(C)c2)cc1 1673819406 DEOWIGGFYLZMIB-UHFFFAOYSA-N 442.357 4.893 30 10 IJEE C=CCCCCCN(C)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1675262527 ZQBFVRVZBMSTQK-UHFFFAOYSA-N 447.645 4.946 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2cc(Br)c(OC)c(OC)c2)CCCC1(C)C 1678346077 GYOLFMLPDIPGSR-QGZVFWFLSA-N 425.367 4.743 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 1678356075 KNFNPTGSDIZFFC-OAHLLOKOSA-N 439.350 4.600 30 10 IJEE N#Cc1ccsc1NC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 1678962596 HFUPYBHHXYPFII-UHFFFAOYSA-N 426.542 4.837 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 1683106285 DFDRJKGJRQRQOP-RTWAWAEBSA-N 429.358 4.719 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(F)F 1689827584 HFDKMULZIIPVEP-HOTGVXAUSA-N 440.922 4.776 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCC(F)(F)F 1689876515 BSEHQMFXWFZEBP-UHFFFAOYSA-N 429.284 4.900 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cccs2)CC1 1689884559 ZZXOCRFTTJFFSQ-UHFFFAOYSA-N 440.016 4.786 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@H](F)C1 1689950817 CEGIZQMWCXVUIG-OCCSQVGLSA-N 425.733 4.569 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCc2cccnc21 1690271222 IJFCKUSGQOHNOR-FQEVSTJZSA-N 435.547 4.914 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCCN(C)c2ccccc2)CC1 1690412902 BJQDIKKWEWFQMR-UHFFFAOYSA-N 430.600 4.583 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cc(Cl)ccn1 1690457344 VLODNMDFTKXMSO-UHFFFAOYSA-N 439.947 4.757 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C2CC2)C1 1690503780 OBMPLZFQULKQQZ-KRWDZBQOSA-N 431.378 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1690519707 UWBSKKKCGNWROJ-KRWDZBQOSA-N 435.538 4.749 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1cc(C)ccc1OC 1690580908 IDCWPWFVRZMUBG-JOCHJYFZSA-N 438.597 4.943 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1690743459 ACVKQFZEOARVRU-FKBYEOEOSA-N 447.693 4.530 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC=C(C(C)(C)C)CC1 1690746711 HUWYAUCOEIXLFY-OAQYLSRUSA-N 440.613 4.892 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1)OC 1694277342 FKEWWNUUAVQWOS-GOTSBHOMSA-N 439.604 4.519 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCOC1CCCCCC1 1705490724 PJBUEYTYHXQUOC-IBGZPJMESA-N 433.556 4.797 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](COC)C1 1705521547 DVKMPZUHFYANLK-SFHVURJKSA-N 433.021 4.890 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1csc(CC)n1 1705524522 NFXBWUFZPPEOOC-MRXNPFEDSA-N 427.549 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCSC 1705591028 DCPRTFDSKYVFJZ-GOSISDBHSA-N 426.655 4.738 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1 1705698345 SISWGHJLOGGCJU-DNVCBOLYSA-N 449.368 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705711560 OQGQMIQVTFWCGS-IAGOWNOFSA-N 449.441 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705720028 UZVZHOHONRDGMD-OFNKIYASSA-N 439.648 4.997 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1705726740 CMIVXMLLYHOBRJ-FQEVSTJZSA-N 445.405 4.927 30 10 IJEE C=C(C)Cn1c(N2CC3(CCC3)C[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728738 UPNMGAXNYOHEGX-OTWHNJEPSA-N 429.609 4.784 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1Cc2ccc(Br)cc2C1 1705732125 OBTXQQRHFBZCDE-UHFFFAOYSA-N 443.345 4.722 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)CC1 1705739337 COBTXSLNVAKRDW-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1705748143 DOGGQMJVLCFBNM-IBGZPJMESA-N 444.988 4.953 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cn(CCCCC)nc2C)CC1 1705764796 NNSALVJFWBVJEE-UHFFFAOYSA-N 434.588 4.854 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2nc(C)cs2)CC1 1705771911 FPIGDJXDSFWEOH-INIZCTEOSA-N 427.549 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705788899 QQBONTOUEHCNFM-UHFFFAOYSA-N 448.546 4.786 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705802613 PZKNSMBDLQWEND-BKMJKUGQSA-N 438.616 4.915 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@@H]1CSCCS1 1705857662 ZFARZWJEMCPJPN-HXUWFJFHSA-N 432.659 4.526 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1)C(C)C 1705867388 NBKWPAADXKIOFO-IGKIAQTJSA-N 449.643 4.651 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC1(C)C 1705870262 FERAIANDBVIAOY-HNNXBMFYSA-N 431.378 4.941 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccsc1)N(C)C 1705871362 HHXSLJHTPYTSOO-SFHVURJKSA-N 428.993 4.536 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccn(C)n1 1705871623 QOQLIVZWBZLGAE-UHFFFAOYSA-N 434.544 4.773 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1ccc([C@H](C)O)cc1 1705879391 XFVOXXCHIQLSPK-IBGZPJMESA-N 432.524 4.776 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1710533826 GLSYZFNDWQCQIO-MJCUULBUSA-N 437.588 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCC1 1722467920 XPYKDUBISROHGW-AJTFRIOCSA-N 449.643 4.901 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1722485088 YDXYQIUXOQTWSY-RDTXWAMCSA-N 435.341 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H]1CSC 1722495938 IQRDBHBSBQGSRJ-UWVAXJGDSA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1([S@](C)=O)CCC1 1722501738 JJMACQNJFURMGH-PMERELPUSA-N 446.686 4.979 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccc(F)cc1 1722502361 IJKDMFXLFJHYHM-HYBUGGRVSA-N 442.579 4.646 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCSCCCO)CC1 1722575972 DVRNQCFVQGEBCR-UHFFFAOYSA-N 446.686 4.794 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1722602683 HUGZQUVRNSDYFY-LJQANCHMSA-N 435.576 4.895 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C(C)C 1722617160 HFBVYNHBMBDHES-WOJBJXKFSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1ncc(CC)s1 1722652419 GBIAFCZFAUZXJK-UHFFFAOYSA-N 448.596 4.552 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1722663819 IZYWIPASUDGROJ-HLAWJBBLSA-N 428.602 4.755 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722688232 XAPZJJMBPDIQKX-FQEVSTJZSA-N 437.632 4.651 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCSc2ccc(C)cc2)C1 1722721521 UBRNQKLGNPFHDE-FQEVSTJZSA-N 440.638 4.812 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740596731 DSNSTRHHIMDUSS-FGZHOGPDSA-N 438.641 4.935 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(C)C1CCCC1 1740600267 KFZJCHZNGSYQHI-IBGZPJMESA-N 444.023 4.632 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCN(CC(C)C)C1 1740603063 FPIWMZAGABZUEY-PMACEKPBSA-N 439.673 4.569 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C(C)(C)C)cs1 1740665865 SZDVBWOEFKIRDM-UHFFFAOYSA-N 431.968 4.999 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)CC[C@H]1C 1740713640 JKQHJBOKODWMOL-JKSUJKDBSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C)CC1 1740753082 FIEMQVIOWGQUQQ-QUCCMNQESA-N 443.389 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1740759719 LAWCTNNDIBAFNV-ZMUPPCTCSA-N 429.634 4.630 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1740850964 SUEDOGAIGOCGRG-GOSISDBHSA-N 437.588 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1740852765 SHSAWJFDNLKGGX-ZWKOTPCHSA-N 429.634 4.887 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](C)C1)c1ccccc1 1740855349 GSFWBJKTBLDCFR-AZOUXBGGSA-N 438.616 4.988 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCn1cc(Cl)cn1)C1CC1 1740907635 YJBBCVQEDOZFPY-SFHVURJKSA-N 440.979 4.740 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1csc(CC)n1)C1CC1 1740908030 HZSONNBSSMBYMI-UHFFFAOYSA-N 444.402 4.930 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN(C(C)C)C1 1740928464 ISYRNEXBXMVHLB-NRFANRHFSA-N 430.600 4.792 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(Oc3ccccc3)nc2)C1 1740971278 VFORTALWQMXKSJ-NRFANRHFSA-N 433.556 4.593 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1CCC[C@@H](C)C1 1748656527 SBOMIBWKNSXOBC-QZTJIDSGSA-N 444.023 4.576 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCCC(C)C)CC1 1748708861 JIAHNYQHLXOKAN-UHFFFAOYSA-N 438.572 4.509 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1ncc(C)s1 1748944279 RTBKPSOMGSWUAX-QGZVFWFLSA-N 446.555 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCC[C@@H]1C 1749053097 BGUJUYXXJDYWHU-XZUXRINTSA-N 442.991 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1749147407 HTPAAGFVRSTRAN-FQEVSTJZSA-N 425.621 4.867 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCS[C@@H](C(C)C)C1)c1ccccc1 1749386035 YCGNALDUFIJQTP-BHIFYINESA-N 426.630 4.720 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCOC1 1749391024 OEAUBAOSMDWAQZ-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](c1ccco1)N1CCCC1 1749499770 MPIMFXHRXVJUHI-QFIPXVFZSA-N 435.572 4.526 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1749591580 VSXBQCFEQMNHCW-PUHATCMVSA-N 442.604 4.799 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)O1 1752318008 DGPNEXPQJUQCBB-QGWWYQLQSA-N 433.478 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@@H](C)c1ccccc1 1760125512 QOIURYIWVKSRDJ-JFJDKTSWSA-N 438.616 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCC[C@@H]1CCCCO1 1760241601 DWFCPCGTYNPZPS-QFIPXVFZSA-N 426.580 4.995 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1760355534 NLPJOTVLPNTDNX-QGZVFWFLSA-N 427.499 4.717 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccc(C(F)(F)F)n2)CC1 1760386429 XQWDGOFEJUALOS-UHFFFAOYSA-N 429.446 4.572 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCO[C@H](C)C2)CC1 1760396396 CIXDSRHACWFXSZ-HBFSDRIKSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@@H](CC)C1 1760416201 WWZVRECBUWJFHA-SFHVURJKSA-N 430.618 4.800 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1760425409 LNAWCASISPZUCS-JOCHJYFZSA-N 443.636 4.541 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H]1CCCOC1 1760436611 DPQLUKBAGXXQOW-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCN(CCC(C)C)CC1 1760454445 JVNYKNIWKHVSRQ-UHFFFAOYSA-N 447.631 4.716 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCN1CC 1760498759 COJBXNMHBHQKGP-DEOSSOPVSA-N 444.627 4.758 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760560524 XVOXIZDPPHQQNR-STZQEDGTSA-N 426.630 4.743 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCCC1 1760697965 ADVLLMRWIOVPSU-GOSISDBHSA-N 447.052 4.696 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CCS1 1764388523 DFWUEFWGZYVAKW-ICSRJNTNSA-N 439.629 4.744 30 10 IJEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)CC(C)(C)C2)cs1 1764621502 GZUNDPDNLVWEDR-QGZVFWFLSA-N 434.613 4.951 30 10 IJEE CCOC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1765747202 GFQHIBOWABRAER-GAJHUEQPSA-N 429.540 4.502 30 10 IJEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1770559672 DXWKHWUEKJWHFO-SFHVURJKSA-N 430.556 4.674 30 10 IJEE CC/N=C1/S/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C(=O)N1CC 1772730185 GMHDKYGUKACBEW-KWZOLKRCSA-N 432.549 4.860 30 10 IJEE COc1ccccc1/C=C1\SC(=NN=Cc2ccc(O)cc2)N(Cc2ccco2)C1=O 1772757658 IMNNYTFQTBAKDS-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE C=CCNc1nc(-c2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc2cnccc12 1857832087 UIKDYGOCCDYZEN-UHFFFAOYSA-N 440.526 4.755 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1861819149 DUFXNSVNLOBMLF-JOCHJYFZSA-N 439.556 4.721 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C(C)(C)C 1861850404 SAWSUUDYOFKGCC-HSZRJFAPSA-N 446.632 4.942 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862382933 HZHQGWYMEDXJAP-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)c(O)c1 1862403149 PCADSDAVQCIJHR-QFIPXVFZSA-N 439.508 4.573 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccccn2)c1 1862456480 SHACEZBLAKOUDL-NRFANRHFSA-N 438.405 4.586 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(OC)c1 1862470751 VNKUANGUIDQWEJ-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862490808 DSRAKJBFXPFRPA-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE COc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c1 1863065994 HFOPRVFAIDSZIP-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3)CC2)nc(-c2cccc(OC)c2)n1 1867992233 QROSTMMZZVYUKW-UHFFFAOYSA-N 441.579 4.657 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CN(C)Cc2ccccc2)cc1=O 1870386342 KZAMEGWHDTYJPT-UHFFFAOYSA-N 427.548 4.769 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)c1 1871385735 JWYISOLBQUAWOZ-IWIPYMOSSA-N 430.456 4.858 30 10 IJEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616340 HVABHPIHBVSNDR-UHFFFAOYSA-N 439.652 4.534 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C)S(=O)(=O)CCCC 1871943848 OJXIRYFEEWUAAE-GOSISDBHSA-N 435.417 4.965 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1872061013 XUDFHBAJOUHEPP-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cc(C)ccc1C 1872096344 HSOGWKGSCURIJE-JOCHJYFZSA-N 439.581 4.769 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872149491 DHRBSUIIQATAQP-XXBNENTESA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872253118 CRHMZSZTPOPZHO-DEOSSOPVSA-N 434.561 4.860 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872406033 JYUPMJILFHXQSL-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872572909 WBADREUHUVNZDJ-LAUBAEHRSA-N 434.627 4.985 30 10 IJEE CS(=O)(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 1872760306 LKUMHNDHTYQRTN-HXUWFJFHSA-N 447.541 4.825 30 10 IJEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773745 XFYJLYBZJPQFGR-HNNXBMFYSA-N 441.306 4.720 30 10 IJEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1=O 1873011665 FQZXTEUGMULTBK-QFIPXVFZSA-N 444.616 4.578 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(Cc2ccncc2)C1=O 1873063787 OQUPDJJZYZHHCL-UHFFFAOYSA-N 445.485 4.729 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641252 IXCJUNZKLQDDIQ-UHFFFAOYSA-N 427.508 4.750 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(Cl)cc1 1874274596 TUZRLRKBPDGMDG-IMQYADFFSA-N 431.993 4.596 30 10 IJEE CCCSc1nnc(C2CCCC2)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874456982 UHYYHRPWNAFFBL-RGVLZGJSSA-N 439.379 4.797 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1O 1874461450 NTMIIJPKBUMGPE-GZIVZEMBSA-N 428.823 4.536 30 10 IJEE C=CCSc1nnc(CCOC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874473230 TVUBFOSLYKUWFK-BUVRLJJBSA-N 442.972 4.860 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc(C)c1 1874476855 WJHOPKQWWQJYDA-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1cn(C)c2ccccc12 1874514779 GEQQXIPMAORHHE-ZVHZXABRSA-N 440.617 4.516 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)c(Br)cc1OC 1874714097 DJDPSATYFXGAMJ-RMKNXTFCSA-N 449.297 4.686 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccccn1 1875116962 AXUKNFMUCIDBCM-BJMVGYQFSA-N 438.823 4.767 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)cc1 1875145546 MFNPGURPTIXKBC-RIYZIHGNSA-N 432.472 4.757 30 10 IJEE C#Cc1cccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1951531137 UVKKZWIDTLCXAM-RPBOFIJWSA-N 437.495 4.717 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)(C#N)C1 1985178911 MKISWEDYLCACPM-DKFOHWNBSA-N 445.563 4.748 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998813022 FADHTGAFCZUQPT-WIOPSUGQSA-N 429.605 4.987 30 10 IJEE C[C@]1(Nc2cc(Br)ccc2C#N)CCCN(C(=O)OCc2ccccc2)C1 1998958034 OIRZRGPBDAIOGR-NRFANRHFSA-N 428.330 4.924 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cc1 2033306091 HYDQPTBYBAOFPM-NSISKUIASA-N 445.560 4.974 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCC2)C1 2038675368 XTJUVGUBLQWORJ-IAPPQJPRSA-N 434.624 4.687 30 10 IJEE CN1C(=CC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)C(C)(C)c2ccccc21 2040424894 KAMWYTVJXYKLFM-IMWZJCIKSA-N 427.972 4.988 30 10 IJEE Cc1cc(C=C2SC(=Nc3ccccc3)NC2=O)c(C)n1C[C@@H]1COc2ccccc2O1 2040446939 MEHNGDPUHLZVNS-HXUWFJFHSA-N 445.544 4.837 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)ccc(Cl)c1F 2041170005 QNOQMGZITQWDPX-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE C[C@@H]1[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC[C@@]1(C#N)NC1CC1 2055575522 YSZVVLVRBDHJTE-UIUQJESISA-N 430.640 4.824 30 10 IJEE C#CCN1CC[C@@H](NC)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343829 HQNZTTWJKBUJQP-NAKRPHOHSA-N 426.560 4.813 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(C)c(Br)cc2F)C1 2126627703 QHPQVHNDVFNSDM-UHFFFAOYSA-N 427.314 4.696 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1cc(Br)c(C#N)cc1F 2174763285 LHRLXGFHPIKMOQ-SFHVURJKSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)c(C#N)cc2F)CCC1(F)F 2174813322 UQLVZTUEUQASBC-HNNXBMFYSA-N 448.283 4.589 30 10 IJEE C#CCCN(CC(C)(C)C)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2180104194 MICOAYCPNZWROO-SFHVURJKSA-N 426.479 4.522 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180955355 ZJVVCOKQEWPDRC-SUMWQHHRSA-N 436.350 4.685 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1I)c1ccc(F)cc1Br 2185187160 RJOKHUCJPCCJQF-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2235721908 JLCJBSAIHLSXCO-ROUUACIJSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](N)(C#Cc2ccccc2Br)C(F)(F)CC1 2235729952 URJXVNKHDDWSBG-IBGZPJMESA-N 443.332 4.554 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)C#Cc2ccccc2Br)C12CCCC2 2235734061 PYYFLKZOVITBRV-QGZVFWFLSA-N 432.358 4.940 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@@H]1C#N 2243924198 CRUJWMVKRYRFIB-XYHYBEPMSA-N 445.563 4.748 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2280424872 WLDHAXRHKQDAFD-RXVVDRJESA-N 439.369 4.518 30 10 IJEE C=CC[C@]1(COc2oc(C(=O)O)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2287736649 ZRQFHCNVZCJHHE-IBGZPJMESA-N 444.322 4.713 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C 2296265809 BNXZYIOGLMBSQC-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296277467 SNXFMHKHIXGHFK-RNQOJCNYSA-N 434.374 4.730 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C 2296292621 ALOVNHBRJODFRH-SIKLNZKXSA-N 433.390 4.734 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CCCCC1 2296309567 XEYAHUNTNNOMAQ-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CSC1(C#CC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2299666554 AVTKODORQROJEV-XMMPIXPASA-N 443.609 4.689 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CC2)C1 2305404670 XVCDMFFXMABCSF-PXDATVDWSA-N 428.573 4.698 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)c(Br)c1O 2318575096 ZDDHRXVZJVXCKK-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)OCc4ccccc4)cc(C)c3C2=O)c1 2324221066 SKKDODJUMILTJO-UHFFFAOYSA-N 430.456 4.742 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c(OC)c1OC 2324718535 JYQZNTNLCDIIFG-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2325383037 MAIMCJHZNGHZFV-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)C1CC1 2325753404 TXWZHLJMWDKWBM-UHFFFAOYSA-N 437.236 4.947 30 10 IJEE Cn1cc(C=Nn2cnnc2SCc2ccc(Br)cc2)c2ccccc21 2326606505 JNNWZRVNTYOWAE-UHFFFAOYSA-N 426.343 4.707 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2327970783 BJBASLUTFQIHPS-UHFFFAOYSA-N 449.363 4.517 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1c(OC)ccc2ccccc12 2328471569 LZBGXWRUMPGRDG-UHFFFAOYSA-N 447.520 4.933 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330379585 XFMQQEJWJLBIDP-UHFFFAOYSA-N 444.582 4.507 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331106110 DSHQSVMAMZHCCU-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2331361269 BVQPXUAZEFVFGR-UHFFFAOYSA-N 429.634 4.716 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1c(Cl)cccc1Cl 2331480676 FCBOHOCFYUKSCB-UHFFFAOYSA-N 440.400 4.695 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1c(F)cccc1Cl 2331648978 JASMDNDVEJMLKT-UHFFFAOYSA-N 436.896 4.577 30 10 IJEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332148338 OXSZCRTUTPEYGL-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2339578434 GZEDJITUAOGPKP-IVANOHRISA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339606025 LNWBSBQNFFYDDM-IBGZPJMESA-N 444.381 4.656 30 10 IJEE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(C#N)c1 14650906 FTKYXOOQHPSFCQ-UHFFFAOYSA-N 446.370 4.872 30 10 IJEE Cc1cc(C)cc(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c(C)nn(C)c2C)c1 32973693 XWQDUKIQYKGMCJ-UHFFFAOYSA-N 435.547 4.542 30 10 IJEE CCCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccco3)c2O)cc1 38619208 GSJLZGGWRVTDBH-UHFFFAOYSA-N 434.492 4.565 30 10 IJEE Cc1ccc(/C=C2\Oc3c(CN4CCN(c5ccccc5)CC4)c(O)cc(C)c3C2=O)o1 41585111 HXFZQBNXXHCKHY-HAHDFKILSA-N 430.504 4.540 30 10 IJEE CCc1cc2c(=O)n(Cc3cccc(C#N)c3)c(-c3ccc(OC)c(OC)c3)nc2s1 96525828 WMXKAGROIWEOIR-UHFFFAOYSA-N 431.517 4.625 30 10 IJEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccnc1)c1c([nH]n(-c3ccccc3)c1=O)N2 98036741 XMWGMWBAHLJWKB-IERDGZPVSA-N 440.528 4.580 30 10 IJEE O=C(NCC#CCOc1ccc(F)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 101088192 CMZWQXVRHOVDMM-UHFFFAOYSA-N 437.286 4.815 30 10 IJEE O=C1/C(=C\NC2CCCCCC2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 105338021 AZXHXWHEJRJMJV-CPNJWEJPSA-N 434.558 4.574 30 10 IJEE CCCOc1c(Br)cc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1OCC 169908820 SPHQLANCYYKWSP-BKUYFWCQSA-N 440.359 4.753 30 10 IJEE CCCOc1ccc(/C=N\n2c(S)nnc2Cc2ccccc2)cc1Br 169911678 TVSOASLJLFNGEV-BKUYFWCQSA-N 431.359 4.591 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2OC)c1 169939500 MTLNAHXJTIQAAQ-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2OC)cc1 169939655 WLRYSOJEMAPXMJ-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(N(C)C)cc2)c1 169953163 NFWDHMINTVUDJZ-NRFANRHFSA-N 447.560 4.917 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170038970 GWDOVJQTIHAEKX-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1ccccc1 170047985 KLCRKCFVSHMZAM-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170113713 XOVYFGOUMGOKRD-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)c1 170170432 GMGLQOJUOMQDBW-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccccn1 170181006 HZHGTRBTDSGROM-FQEVSTJZSA-N 428.916 4.902 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)c1 170198104 FQSXYLIVPXCLTD-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)c1 170227907 SHMNDBWFWQWJGA-XMMPIXPASA-N 441.483 4.809 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)cc1C 170239325 PFZCXEFYTFSAQL-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)c1 170279183 ANWAGBVMORQYQV-HSZRJFAPSA-N 445.471 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccc(O)cc1)c1ccco1 170448163 MHGYYAZGYYHWOG-SFHVURJKSA-N 445.349 4.667 30 10 IJEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccc(O)cc3)sc2c1 170451100 DKDZUPSKVQELNH-SFHVURJKSA-N 438.505 4.526 30 10 IJEE CC(C)CCC[C@@]1(C)CCc2c(O)c(C(=O)CCC3=CC(=O)C=CC3=O)cc(O)c2O1 198711969 CFUHXWZFOLVVDB-VWLOTQADSA-N 426.509 4.605 30 10 IJEE CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)C1=NNc1ccc(Br)cc1 252614285 JILAUKOCHCJTNO-UHFFFAOYSA-N 425.208 4.659 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(O)\C=C\c1ccccc1 254407514 DXRNOFPZWAOQQM-MXEYFZQLSA-N 426.428 4.777 30 10 IJEE O=C(/C=C/C=C\c1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21 254441264 GUSNRNDBVDHXCS-YSSNUXJESA-N 427.475 4.789 30 10 IJEE CCCc1c(NC(=O)Nc2cnn(CC)c2C(F)(F)F)cnn1-c1cccc(C#N)c1 439897546 HOWPSXBYMBMJBC-UHFFFAOYSA-N 431.422 4.576 30 10 IJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 464539101 TWIGXVIGDJVZEF-CQSZACIVSA-N 434.945 4.537 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)Cn1cnc2ccc(Br)cc2c1=O 476107280 GBCRKVWVTMLGDP-UHFFFAOYSA-N 440.341 4.650 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 476120888 FADVCMNGVWBUTN-UHFFFAOYSA-N 436.371 4.957 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCSc4ccccc43)o2)cc1 489804282 HRGUXUUKCAZJNQ-HNNXBMFYSA-N 439.562 4.921 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)C(=O)N[C@H]1CCCC(F)(F)C1 492040444 DZUVHUKXWNGOTN-JTQLQIEISA-N 446.388 4.695 30 10 IJEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 509010364 IPHRUVRWFUHVSG-FQEVSTJZSA-N 439.441 4.599 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)c(OC)c1 526489937 LBZWWVAQKHUKPL-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2ccccc2F)ccc1OC 526802305 COGRUZFXULHUAO-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)ccc1OC 526821939 BHRVGUFQJQGZTC-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 554932172 HWAJDHMQPRDVBI-JOCHJYFZSA-N 434.540 4.540 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 555251855 CMOXNDHBABCGKR-UHFFFAOYSA-N 447.558 4.748 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)c1ccc(C(F)(F)F)cc1 586217668 LAQBULDOODCGSS-UHFFFAOYSA-N 426.460 4.830 30 10 IJEE N#Cc1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 687752808 RQCXQIFWVOXLLR-QHCPKHFHSA-N 430.435 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 699670577 YJWQWHBYJAPPSQ-AUUYWEPGSA-N 435.487 4.715 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 742214862 MBAZYFWJGWGTHK-FQEVSTJZSA-N 441.503 4.647 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 743143868 ROZHZURKPAVZLT-KRWDZBQOSA-N 446.454 4.547 30 10 IJEE N#Cc1ccc(OC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(F)c1 769738551 RQTNWBOZJWBXJM-UHFFFAOYSA-N 426.473 4.752 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@]3(C2)OCc2ccccc23)c1=S 774705491 SZTJMHKBYPHBBG-RUZDIDTESA-N 448.592 4.755 30 10 IJEE Cc1cc(C=Nc2cc(C(=O)O)ccc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084099623 LUCIGEKMAFQMSW-UHFFFAOYSA-N 440.839 4.593 30 10 IJEE C=CCOc1ccc(CC(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1 1125499342 QDLHDIXBPXCITC-UHFFFAOYSA-N 443.469 4.932 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccn(-c3cccc(Br)c3)n2)cc1 1128035646 XLMCQXXZGSEIBR-UHFFFAOYSA-N 427.323 4.717 30 10 IJEE C=C(C)C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)OC 1132421313 FOBZQEPYKRFMJB-OAQYLSRUSA-N 426.463 4.670 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 1152669924 MRVZAHXNECULIT-UHFFFAOYSA-N 430.595 4.926 30 10 IJEE C=CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3 1164599244 JZLCWMWOHBJGGF-UHFFFAOYSA-N 443.550 4.602 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)o2)cc1 1165808555 KGXRUWMLYCOFBN-GOSISDBHSA-N 445.903 4.992 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1OCC 1203161431 NRAPGYUQMYVURT-ICSRJNTNSA-N 448.405 4.647 30 10 IJEE C=CCC[C@H](NC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1)c1ccccc1 1224523703 WSIZAEHHCBKAFF-NRFANRHFSA-N 435.959 4.755 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCN1CCCc2ccccc21 1226023213 QVWIERFVOPQPAZ-UHFFFAOYSA-N 446.364 4.739 30 10 IJEE Cc1c([C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C(C)C)oc2ccccc12 1227533580 CORPEBKMXUITTE-HSZRJFAPSA-N 434.515 4.981 30 10 IJEE CC(C)C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)N1Cc2ccccc2C1=O 1264341842 CAUCBIBYLSKAQI-JOCHJYFZSA-N 444.560 4.615 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1265133838 YRXXVQUEQYJERR-WOJBJXKFSA-N 432.630 4.562 30 10 IJEE C#CCSc1ccc(COC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)cc1 1269315089 ZTXNPQBSFGNYCB-UHFFFAOYSA-N 432.332 4.716 30 10 IJEE C#CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(CC#C)CCOC 1286315146 BPPQEVDUFWFQES-UHFFFAOYSA-N 426.973 4.703 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 1286339892 QSXWFGKSFOCYHP-SFHVURJKSA-N 449.368 4.511 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N(C)Cc1cc(C)cs1 1286356798 AHTZSKYMTCDNCD-UHFFFAOYSA-N 426.611 4.999 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1286458394 SLXWOMOCAUYHSN-VQTJNVASSA-N 446.517 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc2c(n1)CCCC2 1286569579 VLSNYRSGPXTGOU-UHFFFAOYSA-N 447.583 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1N(C)CCCC1(C)C 1286581221 NBVXFLHOLAMTDZ-NRFANRHFSA-N 431.575 4.670 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1286593227 GAUWWSYMKGBDCS-GOSISDBHSA-N 425.577 4.987 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C 1286673582 YQQRYSMOZBKRAL-IBGZPJMESA-N 439.585 4.794 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1 1286676140 IELAXOBOAGNIKO-SFHVURJKSA-N 444.580 4.577 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCc1nccs1)c1ccccc1 1286678197 RXYUABNLJQSWFS-FQEVSTJZSA-N 432.597 4.779 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286683154 KTHYKTAPCLKAMC-SPEDKVCISA-N 428.552 4.917 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1N(C)CCCC1(C)C 1286743727 PWPZCPWLHLMGJS-DEOSSOPVSA-N 444.627 4.962 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(COC)CCCCC2)C1 1286801962 LECIRUUQSXHRNV-QHCPKHFHSA-N 438.616 4.886 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1 1291871502 VTSJLJKVJVIHFH-FQEVSTJZSA-N 442.357 4.506 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 1292545808 JXPPTMCEUHCJTO-IBGZPJMESA-N 438.528 4.522 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)C(=O)OCC 1298020346 HJOKWPQSZGKQED-GOSISDBHSA-N 445.972 4.736 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CCC[C@@H]21 1300424537 JBXJOVAMBFLENP-UFYCRDLUSA-N 427.593 4.532 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1CC 1300473146 PHYICWBVBOYKMM-DLBZAZTESA-N 431.378 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nc(C)c(C)s1 1300556795 MBBOVOKOOOANLE-QFIPXVFZSA-N 431.609 4.599 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCc1sccc1C 1300649377 VGZJCLCDIXMORS-NRFANRHFSA-N 438.572 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@@H]1CC 1301148748 RNPHMEZWNYHTDH-FPOVZHCZSA-N 437.636 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](CCOC)C1 1301150648 ZDICEJIGIAKROW-HXUWFJFHSA-N 434.588 4.596 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301212030 RIVQSHLSOBLIST-UHFFFAOYSA-N 443.473 4.807 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCc1cccc(F)c1F 1301410815 MARSBJMBJPRVTL-NRFANRHFSA-N 442.510 4.869 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 1301528615 DIEPNYBSFHKOLV-UHFFFAOYSA-N 437.632 4.715 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)c1 1309151777 IZCYAPLGJPKAJU-UHFFFAOYSA-N 441.936 4.734 30 10 IJEE C=CC[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)c1ccncc1 1309200657 JHCNKWOXEWQIII-CQSZACIVSA-N 436.158 4.747 30 10 IJEE C=CCN1CCC(NC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)CC1 1310088372 VDZKIWHOVPQBCD-UHFFFAOYSA-N 425.385 4.813 30 10 IJEE COc1ccccc1-c1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)n[nH]1 1310113175 HOECCVCIEPSULZ-UHFFFAOYSA-N 426.436 4.788 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 1310863557 NACBNGFFSHNARD-WFASDCNBSA-N 437.256 4.635 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)CC#Cc1ccccc1 1337519053 HVHXJUNDJWRWAT-UHFFFAOYSA-N 428.326 4.770 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCc2ccccc2)C1 1344718572 QOTDILRGTXGKOE-JOCHJYFZSA-N 425.536 4.517 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)c3cc4cc(Br)cnc4n3C)c2C#N)C1 1348101046 FPRBAEPNSHBRQS-JTQLQIEISA-N 429.343 4.646 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Oc3ccc4cc(Br)ccc4c3)cc2C1=O 1348220962 HYMZDZNFZKAKLR-UHFFFAOYSA-N 436.261 4.604 30 10 IJEE C#CCCCCn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1358917584 VIZSEEPBSBGVOH-MHECFPHRSA-N 446.542 4.598 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C)CCC1 1358988944 IYETXNHZGKKCOM-UHFFFAOYSA-N 428.536 4.770 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1358989229 UPVRWZMOCHAKKU-BCDXTJNWSA-N 445.394 4.918 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCCCN1CCCCC1 1359007004 QTCXQMKCVJLEOZ-UHFFFAOYSA-N 432.616 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCC(C)(C)COC 1359071015 AICXCNIUFJZGSY-XMMPIXPASA-N 430.543 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCOC1 1359110014 XMPIEGUESFONMC-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359119662 HQBCQEBHHIKLMV-RUZDIDTESA-N 442.604 4.958 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cccnc2OCC)CC1 1359160010 JZBBGZWKPJXZPT-GOSISDBHSA-N 437.519 4.556 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1cccs1 1359277803 WGQQVIZYCWUGMV-QHCPKHFHSA-N 426.586 4.733 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)c1 1359822555 KROKUOYMFSWITF-OAQYLSRUSA-N 426.513 4.855 30 10 IJEE CCCc1ccc(N2C[C@H](C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)CC2=O)cc1 1435630092 ANSJWIUUIJMVMD-LJQANCHMSA-N 430.533 4.626 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl 1436095117 KKXYMBCWVKGSQP-KRWDZBQOSA-N 432.973 4.736 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 1454494879 YMSBRDNSIVDREP-ROUUACIJSA-N 445.387 4.783 30 10 IJEE COc1cccc(-c2cc(CNC(=O)c3ccc(OCc4ccccc4C#N)cc3)on2)c1 1456273066 GJDJAOXAFQIDFJ-UHFFFAOYSA-N 439.471 4.731 30 10 IJEE CN(Cc1cc(Br)ccc1Cl)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1458926175 BSSSQXHCQHPXEA-LJQANCHMSA-N 432.749 4.602 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1ccc(Br)cc1 1460787357 PYNOIUIVFKGYEO-QGZVFWFLSA-N 433.143 4.734 30 10 IJEE C=CCCSCCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 1461412039 YRWJUHMEANRENL-UHFFFAOYSA-N 434.403 4.553 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1464203362 XCBFEDRRHSBFDJ-URXFXBBRSA-N 444.666 4.914 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)cc1 1467288776 AXJAETKPXWKIIV-UHFFFAOYSA-N 445.466 4.549 30 10 IJEE C#CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCCc2ccccc21 1468794153 KVSTWGIWRSBGMM-RPWUZVMVSA-N 447.579 4.975 30 10 IJEE Cc1c(Br)cccc1CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1471305162 HZHYZJCVNKWISL-TZIWHRDSSA-N 426.358 4.781 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(=O)OC 1471895791 UZKOWKHCAOHULH-HXUWFJFHSA-N 437.927 4.820 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(OC)cc(OC)c1)c1ccc(C(F)(F)F)cc1 1475123068 MZZBJBWZIKVDRK-LJQANCHMSA-N 429.460 4.708 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Oc2ccccc2)nc1)c1ccc(Br)cc1 1477728074 WDPAFNSFKLQKDI-FQEVSTJZSA-N 436.309 4.810 30 10 IJEE C=CCCSCCNC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 1478936408 XXBGBJALVPOAAF-GOSISDBHSA-N 425.639 4.555 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1479316999 IMZVFYJLBWBMLY-UHFFFAOYSA-N 431.378 4.913 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](SC)C(C)(C)C 1507641964 FZAHGRIZHMYVTI-RBBKRZOGSA-N 438.641 4.885 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC[C@H](C)C1 1507714295 MACUEJABIIMSAV-ROUUACIJSA-N 433.021 4.746 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 1507792123 FEAYLUDJKHUMOP-UHFFFAOYSA-N 449.752 4.978 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccc(OC)cc1 1507822553 DAGFXBWUCQEIIH-UHFFFAOYSA-N 444.377 4.657 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1507892409 PRGOLQXZAPNHAO-NRFANRHFSA-N 425.646 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1507917500 QERHOZWVSXRUOO-JOCHJYFZSA-N 425.596 4.675 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1)c1ccccc1 1507930749 ZQBSAVNWOKUZGS-YADHBBJMSA-N 433.604 4.660 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](CCC)C1 1507939133 IOBDXCOJWDDNQX-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1507965330 LZABXNCZSLUUKT-UHFFFAOYSA-N 445.611 4.723 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1508049834 ILNKXQPASZZFLA-UHFFFAOYSA-N 440.267 4.877 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1508161521 FTLNYJNWZMQODP-VQTJNVASSA-N 433.021 4.589 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1514722742 VYRUWRNEFYFPAG-GOSISDBHSA-N 445.382 4.571 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2occc2C)cc1OC 1515138191 FOCAEIGJNJZDTP-UHFFFAOYSA-N 449.555 4.822 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)CC1 1515203499 DVPYYRYORZVLMB-XMMPIXPASA-N 444.583 4.548 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)[C@@H](C)CC)C1 1516904194 BDEUSLDDBNDOBT-VNZMSGEBSA-N 441.645 4.726 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)cc(OC)c1OC 1521500719 HZYZVQXDFFQXNJ-UHFFFAOYSA-N 444.959 4.811 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)nnc1-c1ccco1 1521643091 PDVFWTBEQVDILM-INIZCTEOSA-N 444.988 4.949 30 10 IJEE C=CCC1(CNC(=O)c2nnn(Cc3cccc(Br)c3)c2CCC)CCCC1 1525845447 POQWLGCYIAJRDJ-UHFFFAOYSA-N 445.405 4.908 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(F)cc3cccnc23)c(C(=O)OCC)c1C 1525888030 VUTGBJWIAISTSK-UHFFFAOYSA-N 442.468 4.516 30 10 IJEE C=CCn1c(SCC(=O)N2CCc3ccc(C)cc3C2)nnc1-c1ccc(Cl)cc1 1527892128 QRMOFSVUKFKSMP-UHFFFAOYSA-N 438.984 4.770 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(C)(C)C)nn1C)c1ccc2c(c1)OCO2 1529763681 FGJMQUGKBPJXGQ-UHFFFAOYSA-N 447.535 4.858 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)/C(C)=C\c2ccc(Br)o2)cc1 1535141001 IMMPFJFVNXKOJR-PFONDFGASA-N 429.314 4.898 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1539056214 VGLQMFIWLYQLII-GOSISDBHSA-N 440.897 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1539558834 NQPPPUJVXCRMOH-LLJLJFOGSA-N 426.992 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC(F)(F)C1 1539566041 CHZWHYOGTBGXDM-AUSIDOKSSA-N 428.527 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCc1nccs1 1539621907 CJDLQQYILOGNIQ-PXNSSMCTSA-N 444.004 4.715 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCCCC1 1539623593 MWXUUKUCYAJYBO-JPYJTQIMSA-N 440.588 4.712 30 10 IJEE CCc1cc(Br)cc2sc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)nc12 1539639786 FDDFWJDPUVGCBV-LLVKDONJSA-N 430.327 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1539651518 HRHPQXLKRSTSSM-WMZHIEFXSA-N 442.604 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H]1CCO[C@H](C)C1 1539651609 IKWYOPQFURIUFX-UXHICEINSA-N 434.588 4.943 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn23)c(OC)c1 1539685566 PPKQDIIOLJNZRM-UHFFFAOYSA-N 431.467 4.895 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N(Cc1cccs1)C1CC1 1539820411 GASGFOCKDOTKMT-UHFFFAOYSA-N 430.961 4.849 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2CC(OCC)C2)CC1 1539829137 UFXMGOIESJDLCK-FLPIEVNYSA-N 428.552 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1539841805 LFBGCGRYDMFZDU-LJQANCHMSA-N 439.604 4.913 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCC1 1539966346 ITDOVFGGDMTZJQ-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1F 1540141816 FNTDXMOAUDDIOW-OAQYLSRUSA-N 442.560 4.970 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCO[C@H](C)C1 1540153964 OMYOARSAJUDPBP-CVEARBPZSA-N 449.368 4.840 30 10 IJEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1541515553 ARBQYGJSZKDJPJ-GMAHTHKFSA-N 434.632 4.954 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cc3cc(NC(=O)OC(C)(C)C)ccc3s2)c1 1543314745 GMBYJBPVRZOEKE-UHFFFAOYSA-N 449.532 4.598 30 10 IJEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCC(F)(F)F)ccc1OC(C)C 1554732834 CSFASFAQNYBDSE-HNNXBMFYSA-N 439.482 4.822 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](c2ccccc2)[C@H](O)C(C)C)s1 1557654611 LMYZKHAKGKFSRI-RBUKOAKNSA-N 425.019 4.713 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1584753710 RINHVJAIBCLKDG-NEWSRXKRSA-N 440.506 4.898 30 10 IJEE C=CCN(C(=O)[C@H](c1ccncc1)C1CCCCC1)[C@@H](Cc1ccccc1)C(=O)OCC 1585020182 HPAHEAXTMXSLTA-DQEYMECFSA-N 434.580 4.935 30 10 IJEE CCOC(=O)c1c(NC(=O)CCn2c3ccccc3c3ccccc32)c(C#N)cn1CC 1585297564 FHWRHMMLOXHDPF-UHFFFAOYSA-N 428.492 4.693 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1587044958 YRFWCHUOWZSFKI-AWEZNQCLSA-N 430.455 4.500 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1nc(C2CC2)cs1 1587603607 NRPCIPXCDYIKRF-CYBMUJFWSA-N 442.386 4.548 30 10 IJEE C#CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1cccc(C)c1C 1587898855 ZRMPSTZRWANMHE-XLIONFOSSA-N 440.498 4.969 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1588276594 RRVFMDYQQYQQIZ-UYAOXDASSA-N 445.405 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1cccc(C)n1 1588288586 CRQQLIDESZQXAE-UHFFFAOYSA-N 441.535 4.523 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](OC)C(C)(C)C 1589149969 BOBFRBMSQDFNBJ-WPSZSDGUSA-N 428.552 4.610 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H](C)CN1CCCC1 1589625627 KCPTZUMFVPEYPH-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1CCCCC1 1589663210 KDSUIMITTNHZOU-UHFFFAOYSA-N 431.575 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)c1ccc(F)cc1 1589669084 JOKXCIGPMOKWMQ-LJQANCHMSA-N 432.547 4.862 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H](C)C1 1593711994 OGKLZPBQNRBMDK-GJZGRUSLSA-N 439.423 4.844 30 10 IJEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1cccs1 1593746797 NNOJBKNKMZDEEG-FXAWDEMLSA-N 440.569 4.642 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1594247437 LLJFIHCJWUKUNP-RUZDIDTESA-N 444.627 4.749 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1594473282 OYXYEVHXKXYVPO-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1594634598 NPFVZLIVZNLXMB-UHFFFAOYSA-N 441.929 4.563 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H](OC)C(C)(C)C 1595162069 UXHZHKUIWFDQAK-HXUWFJFHSA-N 425.602 4.579 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 1596681219 QRSQDBKNSZPJTB-UHFFFAOYSA-N 448.607 4.998 30 10 IJEE C#C[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccc(Cl)cc1F 1597002734 LTABCXVLBXRQIQ-SFHVURJKSA-N 436.899 4.893 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1611768661 AGBUHGQGGIGHLI-WAOWUJCRSA-N 432.494 4.688 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(Oc3ccccc3)CC2)n(-c2cccc(F)c2)c1C 1615251484 AINBPGNTMFDSNL-UHFFFAOYSA-N 446.526 4.587 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)C2CC2)n(Cc2ccc(F)cc2)c1C 1616628761 FVJRLEHNFUYQQJ-VWLOTQADSA-N 430.527 4.843 30 10 IJEE C=CCOc1ccccc1CNC(=O)CSc1nccn1-c1cccc(Cl)c1C 1617629520 FPOLRGWCYRABNF-UHFFFAOYSA-N 427.957 4.807 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1625187397 KBJDEMGZAHRQMD-UHFFFAOYSA-N 433.599 4.535 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 1625539306 VJPNEWBVAASYOY-CQSZACIVSA-N 447.329 4.885 30 10 IJEE Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(SCC#N)s1 1626657865 HHLABBGDGFJTLG-OAHLLOKOSA-N 432.571 4.580 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](Cc3ccccc3)c3ccccc3F)CC2)cc1 1631948375 HTIJTCZRVFWZRV-RUZDIDTESA-N 428.511 4.513 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 1636720253 NRACRZJVBWMZTJ-HNNXBMFYSA-N 432.870 4.847 30 10 IJEE C=C1CCC(C(=O)N[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CC1 1640172736 PTMHNZGOAWXVPG-CPJSRVTESA-N 426.557 4.752 30 10 IJEE C=CCC(F)(F)C(=O)Nc1ccc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 1651677577 GWBHRJPREYGZLH-UHFFFAOYSA-N 434.487 4.827 30 10 IJEE C=CCn1c(SCC2CCN(C(=O)OCc3ccccc3)CC2)nc2ccccc2c1=O 1652428157 MRJZHOSOKZIARX-UHFFFAOYSA-N 449.576 4.723 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1653119770 YSIWZSVIKJWSFH-RTWAWAEBSA-N 443.469 4.603 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nc2sc3c(c2c1=O)CCCCC3 1655979686 TZFUHWLNYXHHBF-MRXNPFEDSA-N 445.654 4.652 30 10 IJEE C#CCN(C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)[C@@H]1CCCc2ccccc21 1658477958 QMMYKSOQUCJDJK-OAQYLSRUSA-N 439.441 4.831 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](CC)Cc2ccccc2Br)cc1 1658515875 BHCHJXIRPXDDCB-QGZVFWFLSA-N 430.346 4.508 30 10 IJEE COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H]1CCc2cc(C#N)ccc21 1659672710 HZVPLUXYKRNQLC-FQEVSTJZSA-N 441.318 4.614 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccc(F)c(F)c1 1661500566 YXSPYKIZWLVZAP-OAHLLOKOSA-N 437.251 4.776 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c1ccc(Br)cc1 1661980040 PPILTSQXWVYXPJ-GOSISDBHSA-N 426.314 4.994 30 10 IJEE Cc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1S(=O)(=O)C1CCCC1 1670212255 DJIPHNJQIAWNBA-MRXNPFEDSA-N 427.526 4.646 30 10 IJEE CCC[C@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccc(F)cc1F 1670503208 GJMSCNJVXBJNEK-QHCPKHFHSA-N 449.505 4.758 30 10 IJEE CC(C)(C)OC(=O)c1cccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c1 1671214189 ADIUKIHPYYENDS-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE COc1ccc(NC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1C#N 1672501439 AXRFKYGHHBFJLE-QGZVFWFLSA-N 432.343 4.728 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCCc2cc(OC)c(OC)cc21)c1ccc(Cl)cc1F 1674036054 JZEOLXAPACGXKR-UXHICEINSA-N 430.907 4.938 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)n1 1675716371 IDQQCTCJWQRHHB-QFIPXVFZSA-N 449.942 4.813 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OCCC)c(OC)c1)c1ccc(Br)cc1 1676177659 QBWBWOYZECWREJ-KXBFYZLASA-N 445.357 4.981 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)c1ccccc1 1677975917 ADQPQKICIVONGK-JOCHJYFZSA-N 433.533 4.600 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1679812470 VDQMIIINPWJDIC-FOVJLYNBSA-N 440.609 4.922 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCO[C@@H]1CCCC[C@@H]1C 1689831273 IIEDEOQXVIDLCR-VAXXYWNWSA-N 431.584 4.855 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCC1(F)F 1689954201 PCTBNVJFQLGKRP-ZDUSSCGKSA-N 441.295 4.742 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1690059170 KMJDKHFDAOZJOS-FIXSFTCYSA-N 438.616 4.946 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](CC)C1 1690158176 ZCZHNQZPXHWSOM-OAQYLSRUSA-N 433.625 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC1CC(OC(C)(C)C)C1 1690198314 JYLWFXQDWUQFIE-VWLBVBLESA-N 442.007 4.969 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1690257745 SJBUIIIPUHHLHR-KRWDZBQOSA-N 427.499 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCc1ccccn1 1690258522 JFQBGLXYLNZQIW-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cccc(OC)c1 1690278637 JYAOXNDSAOJMPJ-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(OC)CCC2)CC1 1690366400 ZNSVZHRTWVCKIR-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cscc2C)CC1 1690384357 ODFWHCUSEHKPMN-IBGZPJMESA-N 443.617 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690424208 HIGWGXFMXGVVFQ-VGOFRKELSA-N 440.588 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccccc2C)nnc1[C@]1(OC(C)C)CCOC1 1690440099 XTCSXOYINMUOSV-VWLOTQADSA-N 426.605 4.866 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)C1 1690451991 USZYCQHQTHXAAL-XMMPIXPASA-N 425.577 4.509 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1690462634 LPDIWEJYVTVJFX-PKTZIBPZSA-N 429.653 4.621 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1690555873 GKZRJPQRIAZDEV-CJFMBICVSA-N 425.621 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCS1 1690588041 GPHDTVUIVMYFCD-MRXNPFEDSA-N 449.418 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CCO[C@H]1C1CC1 1690596955 FMOVYGCRUTYMJV-LADGPHEKSA-N 428.527 4.531 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCCC1 1690605365 HQPPUVVDWRLUOA-UHFFFAOYSA-N 426.948 4.732 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690649786 UORPYRBMTISKLD-LPHOPBHVSA-N 438.494 4.631 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(SC)CC2)C1 1690686277 LKWGFZJEJJUTPL-APWZRJJASA-N 449.020 4.748 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCn2ccnc2C)C1 1690689558 GXTZGPRRXPNYQS-HSZRJFAPSA-N 448.615 4.619 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCOC2(CCCCC2)C1 1690749342 ZUUCWNWNMSKFRV-UHFFFAOYSA-N 426.630 4.636 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1csc(CC)n1 1705576657 OEVAQDJTJYSJAE-UHFFFAOYSA-N 449.649 4.610 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(C)C)CC1 1705666177 QUINJUQRWHGFSZ-UHFFFAOYSA-N 433.021 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1705704702 YLFVGIDRXYTCFL-BEFAXECRSA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)c1ncc(C)s1 1705713841 VLAWAUYPAHWSBM-OAHLLOKOSA-N 425.558 4.645 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cccc(F)c1 1705725011 FKPMIJDJCUNUJO-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccccn1 1705731693 ARPOYJCXXIOIAK-GOSISDBHSA-N 437.613 4.756 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1705771654 ATTXZJASGWKCTN-ZWKOTPCHSA-N 435.341 4.759 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705820490 OEWVEERDLMTQOU-XMSQKQJNSA-N 438.597 4.872 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccsc1 1705861467 GUSPANIWXRLGDI-XUZZJYLKSA-N 438.597 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)cc1F 1705869842 GXCSVAQVECOQSZ-UHFFFAOYSA-N 444.352 4.720 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C)C(C)(C)C1 1705941675 QXEUPIWJACEWAE-KRWDZBQOSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1705941819 XOLBUYZGTGLHII-UHFFFAOYSA-N 441.689 4.985 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)C[C@H](C)C1 1705948744 DOPNLMKXPNXGOR-ROUUACIJSA-N 432.659 4.981 30 10 IJEE CC(C)(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)C1 1706897456 CAFRDHRRHKZSFF-CYFREDJKSA-N 435.597 4.658 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2OC(F)F)o1 1707360781 BRIACIVQSWYJOW-JOCHJYFZSA-N 427.455 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(OC)CCCCC1 1722284513 KGSMFKSFRTZRQP-QGZVFWFLSA-N 445.405 4.823 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722348335 XKKLAENCBTXKAD-IAGOWNOFSA-N 431.987 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCc1scnc1C 1722468008 YTJIWLMCXHFFFB-GAJHUEQPSA-N 439.560 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](CC)OC 1722468265 HRGXNAKXBFOFIK-YADARESESA-N 435.597 4.794 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C(C)C)C1 1722488994 FGFHBZCAQPTWNP-SFHVURJKSA-N 433.394 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1722505058 LZAUIWBFYWMEQR-RXVVDRJESA-N 426.552 4.548 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722555938 IDSDDWCOGBHNNZ-MAUKXSAKSA-N 445.753 4.769 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722588660 CUSZXDGSZNVIKO-UHFFFAOYSA-N 442.677 4.700 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722598933 CYIXKGUSLOWFHD-XUVXKRRUSA-N 428.552 4.776 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@@H](C)C1 1722624136 UODINQATQFVRDK-KRWDZBQOSA-N 432.659 4.810 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1722624785 GKUAXOHUXPSERY-HNAYVOBHSA-N 449.368 4.818 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCC(C)CC1 1722676510 CATUMQKWEZJKNI-YOOZRZFBSA-N 442.604 4.596 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(OC(C)(C)C)nc2)C1 1722713501 CDJVYBHMYOFZJS-OAQYLSRUSA-N 447.583 4.655 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC2(CCOC)CCCCC2)C1 1722714116 GSQZAEUJVAMGFU-HXUWFJFHSA-N 442.579 4.853 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1727712173 FKYSAHQWOSTUED-OALUTQOASA-N 436.585 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc(Cl)nc1 1740543636 UDNLQMFPKMSVQX-GOSISDBHSA-N 437.975 4.925 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(F)(F)F)CC1 1740565147 KPHRSLCYDRQMIM-UHFFFAOYSA-N 447.505 4.729 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1740605811 ZWUPGNNLXDMZMV-UHFFFAOYSA-N 431.584 4.933 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C)CCC1 1740633814 UKEMDYSKUAOPJY-UHFFFAOYSA-N 431.765 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1740679415 YDXZKPVZJRDPSZ-NRFANRHFSA-N 448.590 4.728 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1740711919 TUOLVOFCRZHPQV-MRXNPFEDSA-N 434.556 4.785 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740844960 ZHHCXKDHTAFVNP-HXUWFJFHSA-N 434.588 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnn(C)c1 1740845119 FXXANVBZLLLLIH-UHFFFAOYSA-N 443.393 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740849142 ZSBQSXYOSHIDPK-GOSISDBHSA-N 431.625 4.841 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1740853361 BRMMADGBLPXBQF-NRFANRHFSA-N 448.615 4.822 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)C1 1740863939 IIYMWNBITIMTDF-QGZVFWFLSA-N 439.551 4.594 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740870222 KELGAOKRGNLYAE-KXBFYZLASA-N 449.393 4.544 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 1740966903 ROARPNBLXWMPHF-UHFFFAOYSA-N 436.556 4.853 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCCCC1 1743928065 GMACYAABCPXPKN-QPPBQGQZSA-N 438.595 4.526 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1748703005 TYFMLZCCEIGCEF-QHCPKHFHSA-N 448.533 4.841 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 1748723866 BMAZHEKUJJAURH-QHCPKHFHSA-N 430.980 4.709 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc(C(C)(C)C)n1 1748938756 BFYWRJLVJVDMKF-RTBURBONSA-N 443.661 4.653 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCC 1749136708 QRPMGEWDHWLZMA-WMZHIEFXSA-N 426.605 4.982 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1749336398 ZVTLNMAUKPCUQR-KRWDZBQOSA-N 429.996 4.553 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@H]1CCO[C@H](C)C1)C1CC1 1749508390 PTAVGCOBVFCCFF-QYZOEREBSA-N 428.552 4.917 30 10 IJEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](SC)C(C)(C)C)C1CC1 1749519658 OTPQEFVKBCDINW-PMACEKPBSA-N 428.602 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1 1749532638 VDXQNOZQVDSHCQ-RTWAWAEBSA-N 441.526 4.672 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C1CCCCC1)N(C)C 1749537295 FANDSLORWFKZIP-BJKOFHAPSA-N 437.632 4.833 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C1CC1)N(C)C 1749563346 DCUJPJJFQXJMOW-FQEVSTJZSA-N 444.421 4.535 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCC1(F)F 1750792655 DDMVFKZTNWHUJU-LJQANCHMSA-N 430.547 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1760106733 NJWYCUKQEYPQQX-IRXDYDNUSA-N 431.987 4.706 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1760129227 GJARVTSKIVGMNM-WWNPGLIZSA-N 433.600 4.966 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCCO1 1760132755 OCVAAPIVGDJTQX-LJQANCHMSA-N 431.378 4.516 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCN(CCC)C(=O)OC(C)(C)C 1760164698 YDJXUNUCJKYZET-OAQYLSRUSA-N 439.604 4.537 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCCCN1CCCCC1 1760213506 FBWLXIZPQPOYPK-UHFFFAOYSA-N 438.019 4.718 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=C)Br 1760215260 UDRWXBRXJCWZOC-UHFFFAOYSA-N 438.156 4.623 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCCC1=O 1760229228 JHONFUYSWHQDTI-UHFFFAOYSA-N 448.398 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ncc(Cl)n1C 1760410115 UABYPVYLSBMUBN-UHFFFAOYSA-N 428.968 4.579 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760416062 SYYCRZYMGOBNPW-VXKWHMMOSA-N 440.588 4.616 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCCN(CCC)C(=O)C1)c1ccccc1 1760418055 MAXPUDLAIDFTSR-HSZRJFAPSA-N 435.616 4.744 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1nccs1 1760434350 XPYUQJYSIJQCER-UHFFFAOYSA-N 448.390 4.775 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760442146 HGRSCZDMVVODJM-GHTZIAJQSA-N 446.382 4.715 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1OCCC1(C)C 1760479665 WPOCVSXVJIUZHP-QFIPXVFZSA-N 431.540 4.726 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C)C1 1760561035 NYVDCCDOPYRMJP-AWEZNQCLSA-N 439.448 4.569 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(F)F 1760561320 WZPAPXLXYXSRTO-UHFFFAOYSA-N 449.340 4.857 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1)SC 1762144050 DCWUOPRGLOPYTQ-UHFFFAOYSA-N 449.571 4.886 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2C)CC1 1762840110 HETDTMIEEVTVRM-RDPSFJRHSA-N 434.632 4.810 30 10 IJEE Cn1c2ccc(Br)cc2c2nnc(NN=Cc3cccc4ccccc34)nc21 1772764662 AAMGQSLZBNELIZ-UHFFFAOYSA-N 431.297 4.878 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 1772790019 IOZCNJGETWBKMT-IBGZPJMESA-N 442.254 4.868 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2)cc1OC 1859401667 XUADHVCSURDMJN-UHFFFAOYSA-N 438.487 4.740 30 10 IJEE C=CCN(CC=C)C(=O)c1oc2cc(OCC)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 1859774574 QHHSLZGFANKAOI-UHFFFAOYSA-N 449.503 4.690 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1C#N 1860658007 DTBKPPSPFFZJJK-KRWDZBQOSA-N 434.565 4.889 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1OC 1861348971 UYESCYGHLMLWSN-QFIPXVFZSA-N 428.548 4.652 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Br)cc1)c1ccccc1Cl 1862438230 JQRKKKHHEREGAR-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1OC 1862450576 LCFBMFJCFOBARR-FQEVSTJZSA-N 429.900 4.592 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1 1862508141 XPOBPHSNSCRIBA-QFIPXVFZSA-N 425.500 4.919 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(C)c1 1862544115 WPZYXPMHCCBINZ-XMMPIXPASA-N 433.548 4.879 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862546828 GWBIBDKSKYPFAG-IVZQSRNASA-N 434.492 4.850 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862592154 WMPVWABQOXIGPI-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H](C)O)c1 1862669116 OJUMNMGNBKBNSY-GAJHUEQPSA-N 437.536 4.558 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(OC)c2)cc1 1862687227 IKHOPXGUAYKWJB-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862744831 VVUSTTQGWSERRV-SFHVURJKSA-N 448.397 4.992 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(F)c1 1862749343 WGJHTCZJGXUATF-RFVSGWPVSA-N 438.455 4.891 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863365424 DFCLYCADSWAAHB-UHFFFAOYSA-N 435.483 4.515 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCCOCCCC)C1=O 1863675822 OIONWSOUDCJZKW-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE COc1ccc(OCCCC(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1 1865937319 LGMBFGKUPPCKTK-UHFFFAOYSA-N 428.488 4.904 30 10 IJEE CCCCCCOc1ccc(C(=O)N[C@H](CC)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc1 1867570100 XRQTXBYUVOMQSL-RPWUZVMVSA-N 435.568 4.844 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(C)C 1868951047 YCILHBQYVNXBQY-SQJMNOBHSA-N 440.534 4.828 30 10 IJEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870813448 LSXHDVULLCNDRL-UHFFFAOYSA-N 440.927 4.744 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)cc1CNc1ccccc1 1871044981 UMABJAKZWHKYRM-UHFFFAOYSA-N 445.563 4.961 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871345279 CGNQRDZLFUYDTJ-IWIPYMOSSA-N 429.472 4.542 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)cc1 1871350363 BVRCHTGORNZQCH-WGJADDRXSA-N 433.504 4.820 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)COc3ccccc3OC)c2C)C1=O 1871370281 IPDANOAPYLUDOQ-UCQKPKSFSA-N 446.455 4.613 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccccn1)O2 1871373264 TXLXMZGTCRNTKS-GRSHGNNSSA-N 436.807 4.787 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871422440 KSSIOSJUWQOSIV-CFRMEGHHSA-N 427.456 4.831 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 1871876697 URUOUZBHBVIPPM-QGZVFWFLSA-N 426.991 4.776 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cc(C)ccc1C 1872214902 ZVOYRNSUQNNFPM-IBGZPJMESA-N 428.598 4.805 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763026 CEXAKXZBCQHZNY-AWEZNQCLSA-N 428.813 4.770 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873636562 QHMLNPFMAWEMMZ-UHFFFAOYSA-N 431.471 4.629 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(NC(C)=O)cc2)cc2c(N(CCC)CCCC)ncnc21 1873659139 CHUWBUKKCRMOST-UHFFFAOYSA-N 448.571 4.845 30 10 IJEE N#Cc1ccccc1NC(=O)C[C@@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1 1873868869 UXPUOAIIBPFYQE-FQEVSTJZSA-N 429.907 4.980 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1O 1874455028 XMXUJNJDEWIHDZ-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(F)(F)F)c1O 1874461456 OCOVGTBTMURUNE-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1Cl 1874481227 PLIHKHREUWKJLP-WYMPLXKRSA-N 445.951 4.981 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccc(F)cc1F)Nc1ccccc1F 1874493580 UUIDQYBNXZJQOJ-OPEKNORGSA-N 445.470 4.576 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(F)cc1 1874494680 DGQFESIMKAARGK-AFUMVMLFSA-N 437.544 4.860 30 10 IJEE COCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874498896 GQWQESKPTHSPOE-ZMOGYAJESA-N 440.569 4.703 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(SCC(=O)Nc3nccs3)nnc2C2CC2)cc1 1874518770 IPLPAKOZRLHBLR-FSJBWODESA-N 440.598 4.523 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OC)CSc2nnc(CCOC)n21 1874908273 OKIWFMUIWYIVEA-IBGZPJMESA-N 446.617 4.538 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1875151128 WCZDLLXUPNHROS-UNXLUWIOSA-N 435.363 4.578 30 10 IJEE C[C@@H](NCCN(OCc1ccccc1)C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1 1941539845 XDPQUGJKZUWATM-LJQANCHMSA-N 425.529 4.608 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 2033813864 IVABIOHENHDXOH-LJQANCHMSA-N 429.419 4.944 30 10 IJEE CCc1nn([C@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C#N 2079943488 CIUABYRYKZBCEY-QGZVFWFLSA-N 437.325 4.880 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1cc(Br)cc(F)c1C#N 2174770915 DCXNJZJTQPJFBH-SCLBCKFNSA-N 440.357 4.932 30 10 IJEE CC1(C)CC([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180995604 NAFLKUKOYGFJEV-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1csc(CNC(=O)OC(C)(C)C)c1 2227478724 WNGWJHYSEXTHKZ-SFHVURJKSA-N 435.387 4.848 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@H](N)C#Cc1ccccc1Br 2235721510 ISKSXRSJKQWTIQ-UYAOXDASSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2248830722 GNHHHDSBXATJRK-IWLLQYOYSA-N 434.541 4.509 30 10 IJEE C=C(Cl)C[C@@H](OCCN)c1cc(Br)c(OCC)c(Br)c1 2292886419 WURNZYOUIIHVDF-CYBMUJFWSA-N 427.564 4.769 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2296219309 MRVZMTZSINTNPI-UXHICEINSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296220427 YDGYUEOQNHRMTA-QZNYNHHHSA-N 433.390 4.567 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 2296272768 MBVGJZLWKRJQDD-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2296273382 OOFKXKFHIWWGFS-SGXKBVARSA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2cccc(Br)c2)CC(C(C)(C)C)C1 2296284364 QDJHNTCJIWAQFT-ASNBIDDJSA-N 435.406 4.848 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@H](O)C#Cc1ccc(Br)cc1)C1CCCC1 2296287701 ZFAJSVXOGAMJPK-UYAOXDASSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(N)C#Cc1ccc(Br)cc1 2296290936 JBLFXUVIASHXCQ-KGVIQGDOSA-N 433.390 4.554 30 10 IJEE CC(C)(C)OC(=O)NCCC1([C@@H](N)C#Cc2ccc(Br)cc2)CCCCC1 2296299691 YIVYPWGOLWXCLQ-IBGZPJMESA-N 435.406 4.993 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@H](N)C#Cc2ccc(Br)cc2)C1 2296307716 XZGZFEPNBHDDJV-DFQSSKMNSA-N 435.406 4.992 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2cccc(Cl)c2)cc1 2296766397 JBSLRUBJWYHTCM-SFHVURJKSA-N 440.908 4.822 30 10 IJEE C=CCN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)C[C@@H]2CNC(=O)OC(C)(C)C 2305326085 SEYSZJWEPYNYQH-NWSMCOELSA-N 428.573 4.603 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317305654 FORKSMNSSCSNBM-ROUUACIJSA-N 429.370 4.584 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(CCCCN(C)C)CO2 2322122624 AKAVVTZHUZECMM-UHFFFAOYSA-N 445.563 4.597 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc(Cl)c1)C3=O)CN(CCCn1ccnc1)CO2 2322374097 ZAELXCPKWDEUOM-UHFFFAOYSA-N 435.911 4.703 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)cc1OC 2322863981 LNDIEBDCAHACBK-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2325575181 CXMUQRNRRYHTGA-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)c1 2328082153 IFHLTIAEGBBTNJ-RBBKRZOGSA-N 441.959 4.652 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2cc(OC)ccc2OC)CC1 2328205106 YDFANCHAPFJLSI-UHFFFAOYSA-N 446.617 4.726 30 10 IJEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccncc1 2329489381 RKVJRFAOXWIYQJ-UHFFFAOYSA-N 427.577 4.984 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC 2331659046 PDTIDDQOSWBEDR-UHFFFAOYSA-N 432.900 4.812 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1c[nH]c2ccccc12 2331665957 QWSYIEXVJFMUNK-UHFFFAOYSA-N 446.580 4.942 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)C)c(OC)c2)c1 2331675636 CNXZIMOOCNVISD-UHFFFAOYSA-N 442.508 4.959 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1cc(Br)cc(OC2CC2)c1 2337521283 RFTHFEVWDHGVLJ-ZWKOTPCHSA-N 425.367 4.850 30 10 IJEE C[C@H](CCN(C)C(=O)OC(C)(C)C)N(C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339544367 FQDCODZTMYJSPV-GOSISDBHSA-N 445.413 4.808 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339594195 PZITUCCTTAVWJH-LJQANCHMSA-N 444.381 4.752 30 10 IJEE Cc1cc(CN[C@@H](C)c2cscc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369693974 JLQPBJZPKNZLEA-AWEZNQCLSA-N 436.224 4.969 30 10 IJEE O=C[C@@]1(Cc2ccc(I)c(Br)c2)CCc2ccccc21 2377430164 URBILPZKJAJLFG-KRWDZBQOSA-N 441.106 4.679 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1OC 20882945 ILZWRKYFIABHPG-FPOVZHCZSA-N 449.547 4.885 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCc3cnn(-c4ccccc4)c3)c2)c1 22828876 LBXMBZDCKVDXQK-UHFFFAOYSA-N 449.510 4.630 30 10 IJEE CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2)C1=O 34387564 GTRWYNLHVZBXDV-ARGSHCIWSA-N 425.554 4.728 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ncccn2)c1 39838807 CJFZLBRNFHAWSB-QFIPXVFZSA-N 439.471 4.514 30 10 IJEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)c2cccnc2)nc2ccccc21 40180692 AZFNMWLOIRKLAO-LJQANCHMSA-N 426.520 4.730 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC)c(OC)c3)cc(C)c2C1=O 41289561 RXEYYTPCFLGWCU-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(Cc1ccccn1)CO2 41589018 FJLXZBCBEPVEFT-MSXFZWOLSA-N 437.499 4.850 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1cc(Cl)c(O)c(Cl)c1 100195014 RPVMGMKAQONJQR-BXPXOOBPSA-N 438.336 4.679 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 102713728 FTQKMJHFXMDVJQ-GOBJLOIFSA-N 449.532 4.568 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccs2)cc1 103095766 VGOGAANWEATFLC-VZCCSQPZSA-N 440.546 4.846 30 10 IJEE COc1cc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 108939350 VJXSZEMLBHKKHZ-YPJOJRFLSA-N 441.483 4.579 30 10 IJEE CCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1OC 169906412 NGECWWQRWCWMQN-JJIBRWJFSA-N 448.585 4.754 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2cccs2)cc1 169988730 HAJDGPCRZNCTRN-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2F)c1 170069294 WSGDIYAZOHSQBG-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170104362 BEHYEIBQBXUGGT-QFIPXVFZSA-N 436.483 4.539 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCCC2)c1 170119418 GIJVICRCFWBXLU-FYSMJZIKSA-N 447.531 4.930 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)c1 170161819 SCPLGESKMBLLPQ-RXVVDRJESA-N 441.549 4.540 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccccn3)oc12 170169268 ITTMAQLGIFEZEK-NRFANRHFSA-N 444.418 4.758 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)c1 170196949 MLAFELKVNUCUPF-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)c(OC)c1 170240156 PQLPGEBSWWASLO-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccco2)cc1C 170289209 IASWAHDKRARSGQ-QFIPXVFZSA-N 433.460 4.702 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(C)c2)cc1 170458937 JNPLYKBSLOYIHM-OAQYLSRUSA-N 435.520 4.683 30 10 IJEE COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2cc(C#N)c(SC)nc2O)c1 439958226 GIZJTJFUTGNXLL-JOCHJYFZSA-N 447.560 4.720 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 476143752 KAYGKRYAVVBHER-UHFFFAOYSA-N 437.525 4.979 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1nc(-c2cccc(Br)c2)no1 505016729 LLLUDSKYQZJNSA-UHFFFAOYSA-N 427.302 4.939 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(F)(F)F)C1 508873868 OTKJBSAKBWNLGL-NSHDSACASA-N 433.247 4.811 30 10 IJEE COc1ccc([C@@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526519835 FJZUZXUJVFYDSU-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1c(O)ccc2ccccc12 526827930 ONPFCVBPLBVWAF-QFEZKATASA-N 446.532 4.660 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(Br)c(C)c1 574202382 KCRGDBLVGVGFJO-FQEVSTJZSA-N 438.373 4.862 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)CC[C@@H](O)C(C)(C)O)C[C@@H](O)C[C@@H]1O 575629591 WFZKUWGUJVKMHC-JVKYVIDRSA-N 432.645 4.676 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 582575057 RCRWSBIMRGTZDV-IBGZPJMESA-N 434.506 4.817 30 10 IJEE O=C(Nc1ccc(Cl)cc1)NC1CCC(OS(=O)(=O)c2ccc(Cl)cc2)CC1 586506231 RFJSKWGKMZJUCB-UHFFFAOYSA-N 443.352 4.832 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1C 586507564 MMNZPJNZNKBEAA-UHFFFAOYSA-N 445.625 4.653 30 10 IJEE CCOCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 619843463 FPKRGUKVJYRNHX-UHFFFAOYSA-N 434.009 4.780 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 670205972 GOLHVUXBAUXXGU-HXUWFJFHSA-N 437.617 4.505 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@@H](c2ccccc2)C1 670206308 UDFDVESVLUTCSG-JOCHJYFZSA-N 436.581 4.833 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 704720143 SGVDJFMOYZNAOB-AREMUKBSSA-N 448.460 4.637 30 10 IJEE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(C#N)c(Br)c1F)C2 705657382 ZAXAGFHOFATYCS-FGZHOGPDSA-N 428.349 4.808 30 10 IJEE CN[C@H](CC#CC(C)(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710378760 MLPGEJBENOQKJY-JOCHJYFZSA-N 427.633 4.574 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(OCc2cccnc2)c1 733679137 SSJLSXFAHRBAQO-HSZRJFAPSA-N 427.504 4.747 30 10 IJEE Cc1ccc(O[C@@H](C)C(=O)OCc2cc(Cl)ccc2OCC#N)c(Br)c1 735345056 OKUWFTITXHKKTM-ZDUSSCGKSA-N 438.705 4.824 30 10 IJEE N#Cc1ccc(-c2nnc(COC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)o2)cc1 764060842 ZVSUPBQJOKUUMY-SXGWCWSVSA-N 433.773 4.951 30 10 IJEE CCCCNC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811723956 STIDIYLUSBHCND-UHFFFAOYSA-O 430.553 4.819 30 10 IJEE Oc1ccc(Cl)cc1C=NNc1nc(SCc2cccc(Br)c2)n[nH]1 1084176584 YLMZKMCOLKVXRA-UHFFFAOYSA-N 438.738 4.665 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCCc3ccccc32)c(C(=O)OCC)c1C 1124756629 KEXHKMLVKBEQON-KRWDZBQOSA-N 427.522 4.635 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3ccc(Br)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1126527221 RRUAHYIFNLKRNF-FQEVSTJZSA-N 449.349 4.610 30 10 IJEE C=CC[C@]1(C(=O)Nc2nccc(Br)c2Cl)CCCN1C(=O)OC(C)(C)C 1130641027 GBORMUGKGQCCCU-GOSISDBHSA-N 444.757 4.782 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)COc3ccc(C(C)(C)C)cc3)n[nH]2)c1C 1136367535 SWXMYJHQDXUWSF-MRXNPFEDSA-N 435.572 4.571 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(CSc2nccn2C)o1 1141987039 UISOVPUPQUZHOD-UHFFFAOYSA-N 448.342 4.885 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)s1 1142662654 RCMJADAADRSFFG-UHFFFAOYSA-N 438.940 4.736 30 10 IJEE Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)c1 1147577876 CWRGUJDMEAJDEC-UIOOFZCWSA-N 437.543 4.837 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2c(Cl)cccc12 1150346390 KKDMHLRYEWIUDF-MRXNPFEDSA-N 426.344 4.516 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 1163713264 YBXGTYGTIOAAQF-NHCUHLMSSA-N 442.943 4.667 30 10 IJEE C=CCn1c(SCC[C@@H]2Sc3ccccc3NC2=O)nc2sc(C)c(C)c2c1=O 1164583983 NCMCZLAIXYFMFV-INIZCTEOSA-N 443.619 4.856 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 1166441449 HGZFSUDQUBZSSL-UHFFFAOYSA-N 435.789 4.805 30 10 IJEE O=C(NCCc1cccc(OCC(F)(F)F)c1)NCc1ccc(F)cc1C(F)(F)F 1222461747 HXCRTHFYAOPCND-UHFFFAOYSA-N 438.343 4.828 30 10 IJEE C=C1CCC(C(=O)NCCN2C(=O)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)CC1 1264215741 BJGJIRMLYABOLJ-HKWRFOASSA-N 426.582 4.883 30 10 IJEE C#CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CCC2 1270087046 IQJCBYAVIIOETO-VZCXRCSSSA-N 434.543 4.777 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CCC 1286366171 WRMSCAGORMFVBJ-HXUWFJFHSA-N 425.646 4.609 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1CCC[C@H](C)C1 1286421448 PEEGVDJQWJRKMM-NRFANRHFSA-N 443.595 4.665 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC1(CCOC)CCCC1 1286424232 TWDUQVBJURUXRX-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@@H]1CC 1286437242 CVWODDCAUFVGJO-NRFANRHFSA-N 439.673 5.000 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286588084 KHKPVMKCFGEOFO-MRXNPFEDSA-N 449.368 4.554 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286621351 CFXXUEPLXSCKOE-FQEVSTJZSA-N 445.995 4.630 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1286628487 BZBZPLXYKGMNTC-UHFFFAOYSA-N 431.028 4.757 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1286645457 CREZXCCIHQEJTN-UHFFFAOYSA-N 435.494 4.671 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCCCCC2)CC1 1286649493 OOORYTZLQWBOHQ-UHFFFAOYSA-N 430.980 4.752 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1COCCO1 1286680859 GATQLXGOVRISIN-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1286696595 JIRZZDOOPQZRBF-KRWDZBQOSA-N 443.020 4.904 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1N(C)CCCC1(C)C 1286713189 CTERVLSNLUWJPQ-DENIHFKCSA-N 441.620 4.559 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C)CC1)C(C)C 1286751096 MWRTWWVDLGLEEU-YTFSRNRJSA-N 429.653 4.845 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1286751302 OYXOPJIEFJZFAS-FBLLAGFSSA-N 446.643 4.998 30 10 IJEE C=C(C)CN1CCC(NC(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1293033484 LDAGAVYJLCZXDP-QFIPXVFZSA-N 435.653 4.787 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@](C)(OC)CC1 1300393533 GVKPAURIIQTCMJ-NRFANRHFSA-N 449.368 4.656 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(N(C)C)cc1 1300441526 QVLGOVFKWCFMJE-GOSISDBHSA-N 433.625 4.510 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OC)c1ccccc1 1300517089 XCVCTKFNWGMQKA-UGKGYDQZSA-N 444.604 4.592 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](CCOC)C1 1301024014 KYDCUCIFQQLWRC-HNNXBMFYSA-N 439.785 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301155679 RLLPRZVLPSMLSR-UHFFFAOYSA-N 449.643 4.504 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCN(CCC)CC1 1301207726 FXNAHXSKANHJRG-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCn2ccnc21 1301304606 GDKAILODTKIBNL-HXUWFJFHSA-N 434.588 4.685 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCOC1 1301365735 WVDWMHPXUOTXPC-SFHVURJKSA-N 442.560 4.677 30 10 IJEE CCc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)s1 1305961369 FRBUYKPLURWLBB-HOTGVXAUSA-N 427.549 4.968 30 10 IJEE C#CCC1(C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)CCCCC1 1306229825 IOWAECCSWGFWNQ-UHFFFAOYSA-N 444.528 4.547 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1306272845 CHMHGVTXVWCJIZ-VLXBDIDVSA-N 437.588 4.557 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@@H](c3cccs3)C3(CO)CCC3)c2C#N)C1 1307843757 HKUNXJLSPHJFFS-BTYIYWSLSA-N 443.638 4.628 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)cc1 1312020956 PZUOUVUDZIOWTK-DEOSSOPVSA-N 434.923 4.949 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)NC)c1ccc(C(F)(F)F)cc1 1312344142 VZCLFHBRNWNHTB-ZWKOTPCHSA-N 427.467 4.633 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1358443416 NCQQECRWYMZUGU-FPLPWBNLSA-N 440.343 4.739 30 10 IJEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1358934155 RPTZMRMHRITTHJ-QGZVFWFLSA-N 447.564 4.627 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1359049528 RFIMUVGORDVMDE-YLJYHZDGSA-N 428.602 4.517 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359201260 IEWMDMOMSXFADQ-HNAYVOBHSA-N 433.478 4.939 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nccc(C(F)F)n1 1359234649 VSBLEXRBSIMQCZ-CYBMUJFWSA-N 430.528 4.530 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CCO[C@H]1C1CC1 1359235342 WJTWYNNYMVVGGJ-RXVVDRJESA-N 449.368 4.674 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1ccnc(SC)c1 1359259107 MHGXPAJLICBOIE-UHFFFAOYSA-N 442.592 4.622 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCc1ccc(C)cc1C 1359264918 SNVZZUMUBPNXPO-UHFFFAOYSA-N 449.624 4.514 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)c1cc(C)oc1C 1359268978 KIBXNEZURUENBA-AREMUKBSSA-N 443.551 4.789 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1CCc1ccccc1C(F)(F)F 1359272967 JNXPYLZSLHSZOM-UHFFFAOYSA-N 427.474 4.704 30 10 IJEE C=CC[C@@]1(C(=O)O[C@H]2CCCc3cc(C(=O)OC)ccc32)CCCN1C(=O)OC(C)(C)C 1436466404 ICXDVJIGURHYKD-CPJSRVTESA-N 443.540 4.740 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3nn(-c4cccc(Cl)c4)cc3O)c2)s1 1444401194 AELCNSYNEIJGGT-UHFFFAOYSA-N 434.908 4.761 30 10 IJEE C=CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)C(=O)OCC 1447548329 FVVZYASKQGIMHD-GUMMAJAESA-N 430.504 4.942 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1449320349 RELJRUKALODHGJ-NHCUHLMSSA-N 442.918 4.632 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1456897306 SCFAMCJDPNATIW-JPQMRUPTSA-N 448.544 4.894 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(CC)C2CCCCC2)nc2sc(C)c(C)c2c1=O 1458823366 HAULPHZRSASPPI-MRXNPFEDSA-N 433.643 4.923 30 10 IJEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 1465420310 DCGJXJQNOJODIE-OAHLLOKOSA-N 449.326 4.790 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 1467931655 FLGDIJGWCPGLFK-JOCHJYFZSA-N 448.604 4.788 30 10 IJEE C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Br)cc1 1473428806 FONKAABCJDACGO-ZDUSSCGKSA-N 432.387 4.940 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCC)c1ccc(Cl)cc1 1475365627 GWVVWLJBAMDTBH-INIZCTEOSA-N 442.762 4.544 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(C)(C)[C@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1 1478272484 MEDOUCDEUPOOQV-NQIIRXRSSA-N 428.495 4.580 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCC(F)(F)CC2)cc1C 1492232523 DWPCMKNJCZARBO-KRWDZBQOSA-N 444.530 4.711 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCCC(F)(F)C2)cc1 1492319529 CJEDPJHXQWAZRP-MOPGFXCFSA-N 431.531 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ncc(CC)s1 1507518475 LXCAGDKFCOMAKE-KRWDZBQOSA-N 444.608 4.878 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1OCCOCC 1507762092 ORZOFJJXACGWSL-AREMUKBSSA-N 448.567 4.611 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1507782436 FQULQSCWRGGRKE-ZDUSSCGKSA-N 436.304 4.817 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1507832505 BKKFBEZFFXKQGK-UHFFFAOYSA-N 434.487 4.553 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](OC)C1 1507836847 BJCKFZHSFCUTNC-AZUAARDMSA-N 448.995 4.506 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507888757 BWOJSZJOJJEFPT-YTFSRNRJSA-N 443.680 4.721 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC1CC(F)(F)C1 1507916519 ALOYNDZYILQAOP-IBGZPJMESA-N 432.515 4.874 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1507934990 LKJIZFVDVJAVSJ-UZLBHIALSA-N 434.943 4.509 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCC(=O)NC(C)(C)C)C1CC1 1507995072 CUOLKFVDDNDIOX-UHFFFAOYSA-N 448.036 4.683 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc3cccnc23)nnc1N1CC=CCC1)C(C)C 1508010806 FJHUIDQVIQXLNF-XMMPIXPASA-N 442.611 4.958 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@H]1C(=C)C 1508024044 HSDDWRPRUSVRSI-RPWUZVMVSA-N 429.568 4.556 30 10 IJEE Cc1cc(=O)c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1-c1ccccc1 1515235041 HSKJPUKJVCCNEY-LJQANCHMSA-N 434.499 4.571 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(CC(C)C)C1)C1CCCC1 1515392692 DJJXTUVWNSPCBV-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](CC)[C@@H]2C)c1 1517653952 BVJPCDYFZNRUGD-ROUUACIJSA-N 447.000 4.982 30 10 IJEE CC(C)Oc1cccc([C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1523048798 HJYNXFOUVLAPSF-QAPCUYQASA-N 426.900 4.656 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cc1OC 1525684236 LENVXKTWIFQBAZ-BENRWUELSA-N 440.971 4.974 30 10 IJEE C=CC(C)(C)CC(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1529544939 NXEIJCSCMFKUDT-GXDHUFHOSA-N 427.353 4.748 30 10 IJEE C[C@@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1Cc1ccccc1 1533759274 GQXAUJMJIGOLLQ-QFQXNSOFSA-N 439.559 4.920 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1 1537811154 OVKDYIDISZPGOT-UHFFFAOYSA-N 434.279 4.505 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C(C)(C)C)cc1 1539006863 SLNGJNGVTGJORW-UHFFFAOYSA-N 440.496 4.762 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1539076579 SKOIYJMHLHXUNZ-QFIPXVFZSA-N 446.599 4.871 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(C)s1 1539621965 DFBYEOICEMCOTB-UGKGYDQZSA-N 438.597 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncccc1C 1539677874 KYQQNAHXLQQKQA-FQEVSTJZSA-N 440.592 4.504 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCCOC1)c1ccccc1 1539940535 RQXVLUNQYIAQBZ-FYYLOGMGSA-N 431.584 4.871 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1csc(Br)c1 1539998195 CETZZOGHVXREAE-HNNXBMFYSA-N 425.396 4.946 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1540039695 FEIVWYIJAGHMBK-QFIPXVFZSA-N 445.007 4.835 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(CC)(CC)OC 1540054387 PMRLNLSURCHVDS-UHFFFAOYSA-N 437.382 4.544 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1cnc(C)s1)C1CC1 1540102864 VZLSRPJIURONFG-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1540121179 PPPBLNDFBISRQJ-ZNZMYEMYSA-N 433.600 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1540172417 ZXQNNJWRIFFYIM-VQTJNVASSA-N 428.024 4.821 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C/C=C/CC)C1 1540896167 HVHNKHUHTAWDQR-RTRPANQVSA-N 437.371 4.911 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1540916698 DWIJBKPAWHHLRI-UHFFFAOYSA-N 439.629 4.705 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ncc(CC)o2)c1 1543593187 SCDOYRTYRZNCCB-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 1557349154 YSQBDZRDKMFXFI-FZKQIMNGSA-N 427.372 4.864 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cc(Cl)ccc3C2)n(-c2cccc(F)c2)c1C 1559745086 FRAZCGLYZUWVRW-UHFFFAOYSA-N 436.918 4.755 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](CO)c2ccc(Cl)cc2)cc1OC 1560577775 ODEBHDMJHQVMPA-MRXNPFEDSA-N 440.765 4.542 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)c1 1562256011 XYSJTUWMYNWOCP-UHFFFAOYSA-N 429.586 4.607 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1)c1ccc(F)c(F)c1 1562614442 CMXRLCAFJXFUOM-HXUWFJFHSA-N 426.471 4.811 30 10 IJEE CC[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)Cc1cccc(Br)c1 1564094228 DISJZHGBANISHM-VFNWGFHPSA-N 426.358 4.876 30 10 IJEE N#CCOc1cccc(CC(=O)NC2(c3ccc(Br)cc3)CCCCC2)c1 1587225670 BERNKGNOQRWMEB-UHFFFAOYSA-N 427.342 4.870 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cc(F)ccc12 1587678575 VFQNTVIGNAGORP-BSLALVQMSA-N 437.563 4.518 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccoc1 1587718460 GQVRDHGHABYLGB-UHFFFAOYSA-N 443.345 4.749 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1587818439 WKKAIBCOUXNLDF-AZUAARDMSA-N 442.007 4.533 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCC(C)(C)C1CC1 1588094216 UZIRLAACBHEMHE-UHFFFAOYSA-N 443.364 4.746 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)c1ncc(C)s1 1588281114 YPLGRJHEUZLKQV-CQSZACIVSA-N 431.512 4.575 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](COC)C1 1588985166 PDQSBQQEECPHPV-OAHLLOKOSA-N 447.029 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1OCCC 1589162234 CSYRXEKIDPWSQK-XMMPIXPASA-N 435.959 4.823 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1589357552 CRAYBTBYAYYCRL-MSOLQXFVSA-N 449.393 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1589640885 BIDYFAFFEOUEPP-LEWJYISDSA-N 434.588 4.738 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nc(C)c(C)s2)CC1 1594430051 GZTISXSFUVPGDV-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)O[C@H](CC)C1 1594461208 MKPMDYKIYDSCED-AZUAARDMSA-N 434.588 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2OC)CC1 1594461260 OSIPDHGZQGOVSC-UHFFFAOYSA-N 435.572 4.784 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1594504446 RWGWRVKXPJTBOW-HXUWFJFHSA-N 439.623 4.921 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1594583146 YRPPFLDCUVXETE-IAGOWNOFSA-N 437.327 4.722 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C(C)C)CC1 1594698703 WGISGHMKMRHMFZ-UHFFFAOYSA-N 436.387 4.523 30 10 IJEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1594767725 ZKRPIOFNYHDOQF-LJQANCHMSA-N 428.577 4.616 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OC)C1CC1 1595065555 STZAWLHKOCFKGV-UHFFFAOYSA-N 447.583 4.761 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1ccnc(Oc2ccccc2F)c1 1595200961 WYQIWHQZEFPEQP-UHFFFAOYSA-N 444.514 4.837 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCC[C@H]1C 1595234748 YGYKSSMWUQOTHX-YPAWHYETSA-N 429.653 4.640 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1sccc1C 1595239357 IVVQSAJQAVJMBM-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 1595548056 DBOCEXMGNVJVJH-OAQYLSRUSA-N 430.589 4.570 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C)C1 1595845015 LRPZTJVHVPWHQH-CQSZACIVSA-N 435.018 4.958 30 10 IJEE CC(C)SCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)C#N 1596798191 FUZHPHZHNDLJQN-LBPRGKRZSA-N 428.425 4.507 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C(=O)c2ccccc2)c[nH]1 1611099320 ZBFFXAYMTRXELI-UHFFFAOYSA-N 441.300 4.976 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H](C)N1CCCCC1 1613458822 CXZVFCUPQUPWJA-QPPBQGQZSA-N 434.632 4.824 30 10 IJEE C#CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@H]1CCCc2ccccc21 1617567324 XQOYSNFTBXDBFG-QFIPXVFZSA-N 441.497 4.856 30 10 IJEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCCCC2)C1 1620182721 BOYODGJUSXDKGU-UHFFFAOYSA-N 439.629 4.888 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCN(c2ccccc2C#N)CC1 1623842699 ZDKYAQSBOMYYGZ-JQIJEIRASA-N 429.442 4.645 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C=CCC1 1628774115 QTAPIRZRSHQRGZ-GAJHUEQPSA-N 436.939 4.871 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2c(F)cccc2F)CC1 1629784638 PIRNVRORELAOBT-LJQANCHMSA-N 442.934 4.782 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@H](C)C2)c1 1633274535 VSIPXBACDZCKSU-NRYAXDJKSA-N 440.609 4.757 30 10 IJEE C/C(=C\C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(F)cc1 1634423739 KKEFWLSPECYSOO-PEKVBPLLSA-N 435.339 4.814 30 10 IJEE COc1ccc2c(c1)C[C@@H](C)N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]2C 1645246442 DDGQYXIAZDSRLT-XLIONFOSSA-N 442.563 4.921 30 10 IJEE C=CCn1c(SCc2ccc(OC(C)=O)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540570 URZKZVHXFMYHHI-AWEZNQCLSA-N 440.590 4.986 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN(Cc2ccccc2)C[C@H](O)c2ccccc2)c1C 1653583891 CUCJYLBWRBLKPM-MHZLTWQESA-N 441.575 4.786 30 10 IJEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCN([C@@H](C#N)c2ccccc2)CC1 1653638581 AVWVLWBUQRCBET-VWLOTQADSA-N 433.987 4.584 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1c(Cl)cc(F)cc1Br 1653728596 CFAGDXLEOGGUSA-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE CC(C)C[C@](C)(NCCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Br)c1 1658519937 ALMKPCUUPVONRP-NRFANRHFSA-N 449.414 4.646 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)cc1 1663444723 OXEJMGKUHFUIRP-UHFFFAOYSA-N 431.183 4.790 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(OC)c1 1666008629 XZQNMXJSFGIFIR-UHFFFAOYSA-N 441.480 4.583 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3COC4(CCCCCC4)O3)c2)cc1 1666028603 HHHRSCBGMDQHDT-DEOSSOPVSA-N 449.551 4.919 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)CC2)cc1 1666838110 BBMDABWUXVQWNK-UHFFFAOYSA-N 444.510 4.517 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(Br)ccc1-n1cccn1 1669023457 OKXWDJPQJUXUJQ-GOSISDBHSA-N 425.330 4.944 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 1669296682 GKIQWHATXIIMCJ-IBGZPJMESA-N 426.476 4.586 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](CO)c2ccc(F)cc2F)cc1F 1669489354 DCXJWLSCENKEMO-IBGZPJMESA-N 427.382 4.623 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C)c1ccc(Cl)cc1F 1669876788 SQOBHWYHRYDRHT-MRXNPFEDSA-N 443.327 4.811 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC(Cc2c(F)cccc2F)C1 1672708143 FCUGHGDFIYIJAN-UHFFFAOYSA-N 437.284 4.999 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1)c1ccc(Cl)cc1 1674020962 RZVCIMCMJCZIOM-BBHUYCHWSA-N 426.944 4.538 30 10 IJEE C[C@@](NC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F 1674811069 HNPRCFWPDHCWSD-NVXWUHKLSA-N 438.343 4.655 30 10 IJEE C#CCN(C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)[C@@H]1CCCc2ccccc21 1676325719 MZTWHZHTQJAYBL-HHHXNRCGSA-N 445.607 4.630 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1 1681093723 DQFVMXPHUIFXER-LVXARBLLSA-N 447.535 4.693 30 10 IJEE C=CCCCCCCCNC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1681401987 JLWQIJDIAVVEPH-IBGZPJMESA-N 436.394 4.689 30 10 IJEE C#CCN(CC)C(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1681422969 RSQRPZIMWCNRAJ-IBGZPJMESA-N 436.408 4.819 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1689913169 IZNWWJPAQCALMN-SFHVURJKSA-N 428.552 4.755 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@@H]1C(=C)C 1690083964 RPCZLJLEHSKUSD-PXDATVDWSA-N 436.600 4.730 30 10 IJEE C=C(Br)Cn1c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnc1C(C)(C)C 1690233227 AIQRRSKRBDKQOU-UHFFFAOYSA-N 434.338 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1690239071 QWXMCFYAUNDICW-YTXYEVPYSA-N 445.405 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1690241931 ZBONOPNCAACSSK-GGPKGHCWSA-N 429.996 4.847 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690281264 DOWNQDSPHMMTPX-QAPCUYQASA-N 431.968 4.524 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](c2cccnc2)C(C)C)CC1 1690377530 GKXPTPGLVPPNBF-HSZRJFAPSA-N 431.584 4.869 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCSC2)CC1 1690406376 DDTHEUCALFTXJC-INIZCTEOSA-N 433.419 4.863 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CC1(N2CCSCC2)CCCC1 1690515601 PTPJBEUPAMHGBB-JOCHJYFZSA-N 439.673 4.804 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nc(C)c(C)s1 1690593100 SLAAQPROEZUFIA-UHFFFAOYSA-N 432.553 4.900 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1691164221 DJSGEZHDIRAPGF-WNCULLNHSA-N 448.659 4.561 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705583938 QMZGAFKFICLTMI-ICSRJNTNSA-N 448.920 4.964 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1cccnc1OCCCC 1705673521 BKXDYNQEXCINSM-RUZDIDTESA-N 433.531 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC(C)(C)CN1CCCC1 1705677953 IWVLLONBVIMPNI-HHHXNRCGSA-N 449.643 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1705694090 NWHDNRYGBVHOPE-AZOUXBGGSA-N 438.616 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)C[C@H]1CC 1705698814 YXMYNIHRBZKGFD-MYJYVVNQSA-N 440.588 4.568 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1705722631 UIMGBQRWQKVRHX-QUCCMNQESA-N 435.572 4.789 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCC[C@H]1CCCCO1 1705848380 IQMGZOXDWGWMEI-GOSISDBHSA-N 449.393 4.591 30 10 IJEE CC(C)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C#N)c1cccnc1 1706077199 GVWIHWDPDMOAME-AUSIDOKSSA-N 441.583 4.781 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)C)nc1)C1CCCC1 1709942680 AVVOBZZKBQWPNU-UHFFFAOYSA-N 430.556 4.816 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCOC(C)(C)C 1722302340 RNYRNPKUABZDRA-GOSISDBHSA-N 432.996 4.525 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(OC(C)(C)C)nc1 1722403805 FIPRHIIDLRXRIG-UHFFFAOYSA-N 441.938 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1C[C@@H](c1ccccc1OC)N1CCCC1 1722499458 JFBUFTGEFHCFRT-NRFANRHFSA-N 425.621 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CSCCS1 1722516163 UYQPWTHNCDTHAC-LJQANCHMSA-N 427.643 4.532 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1722523322 NFYQHMAFMXYPKW-CABCVRRESA-N 441.523 4.608 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1722526162 QFTUZTKBYBKVGK-DHIUTWEWSA-N 431.584 4.938 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](COC)C1 1722586590 JYBNQMYLQNUAEW-FQEVSTJZSA-N 434.588 4.596 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722601904 MINRBDCSSSUPGL-RBUKOAKNSA-N 443.592 4.942 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](OC)C(C)(C)C1 1722606485 ABYROWQCZMTBQO-GOSISDBHSA-N 449.393 4.544 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1722643362 KSLXCGKEUWQTCA-ISJBWFOZSA-N 438.616 4.852 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC(C)CC1 1722659307 SJARPJHICARMCU-NRFANRHFSA-N 448.590 4.792 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](OC)C(C)(C)C 1722678570 SVOIMFFQVHTHMW-OAQYLSRUSA-N 428.621 4.943 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@H](C)CC#N)cn1 1728380393 HDEAOVYYAHDWLN-GOSISDBHSA-N 443.555 4.719 30 10 IJEE CCOCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1 1728964924 BSBPWWFTJUPVQM-UHFFFAOYSA-N 434.588 4.543 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1ncc(C)s1 1740544416 CVSUJJINGGEUDC-UONOGXRCSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(F)(F)CC1 1740570048 NUCJTRFIDYCWBY-UHFFFAOYSA-N 432.515 4.780 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740573918 UJAYKMKWLBTGSJ-FQEVSTJZSA-N 428.527 4.553 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCCC)CC1 1740712670 QJTNZOQNZSVNSN-FQEVSTJZSA-N 433.021 4.750 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740718536 PZFMOBLDHUTSBS-GOSISDBHSA-N 429.659 4.705 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](OC)C(C)(C)C1 1740740926 NAEHEDVPQHNUMJ-OAHLLOKOSA-N 443.748 4.507 30 10 IJEE C=C(Br)Cn1c(N2CC[C@@H](C)[C@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1740748508 GTADLXOGKOHMTK-VQIMIIECSA-N 445.405 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](CC)C1 1740756443 PIKXVGJXSPTOCQ-MSYCTHLASA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccoc1C 1740756683 QPDVTBCLGLYIMG-UYAOXDASSA-N 427.936 4.513 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CCCOC 1740803231 RDKLRKXNHGERDJ-MRXNPFEDSA-N 427.376 4.914 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1740838051 DMCSMPATNYNLAH-LJQANCHMSA-N 434.506 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)C1 1740844093 CRXDZQYGTFNWKT-AWEZNQCLSA-N 438.439 4.590 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCOC1 1740856354 RZCSKGYDXNRUSD-VWLOTQADSA-N 426.605 4.577 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1740871777 NSWKSGCIZSFREG-MBSDFSHPSA-N 440.588 4.711 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1740921436 UIBPRBDBPJXVLN-UHFFFAOYSA-N 439.583 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H]1CCN(c2ccccc2OC)C1 1740922944 AIMBMENGVVKVRJ-LJQANCHMSA-N 437.613 4.630 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCOC[C@H](C2CCC2)C1 1740999391 GRLSTYVQLVFPOY-GOSISDBHSA-N 433.021 4.771 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC(F)F)c(F)c2)C1 1741987611 GHVNDLKGTAWIND-QHCPKHFHSA-N 447.505 4.930 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCS1 1748656603 UDWJCXMIPOYNLU-HIFRSBDPSA-N 437.382 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC[C@H]1CCCCO1 1749058476 JZESHSZRSSEGPJ-FOIQADDNSA-N 449.418 4.720 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)C[C@H]1CCCO1 1749123969 KCANLAJTVAYRKU-BLIXFSHQSA-N 448.970 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749134142 VEEVCGYGYOVTKO-SCTDSRPQSA-N 440.535 4.690 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](c1ccco1)N(C)C 1749147415 IATPPGCGVFBQQU-JOCHJYFZSA-N 445.571 4.634 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCS[C@H](C)C1 1749261734 YRIPKQONDGPASF-MRXNPFEDSA-N 437.009 4.827 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)C(C)(C)C)CC1 1749331458 KPIYWQINYHYVOH-UHFFFAOYSA-N 437.632 4.807 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2ccccn2)CC1 1749343380 HUXVZABCCKEFQS-UHFFFAOYSA-N 436.991 4.822 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOCC2(CCC2)C1 1749412668 OVRJNMVZIPEFCZ-FQEVSTJZSA-N 440.588 4.790 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Br)cc1 1749419319 CPKNIYRDYKIAAN-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1749422002 VIRANTYWXMOAEA-RDTXWAMCSA-N 426.779 4.980 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@@](C)(CC)O1 1749473786 QYLKCDVWSDIZRH-SCLBCKFNSA-N 425.396 4.739 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCn1cc(Cl)cn1 1749550958 MQACGSYDJJWWTD-UHFFFAOYSA-N 442.951 4.888 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1749638001 ROIRFZMDWDCIRQ-KRWDZBQOSA-N 425.602 4.783 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1749638003 ROIRFZMDWDCIRQ-QGZVFWFLSA-N 425.602 4.783 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1749747207 WDVBQSYJZNVJKH-BJLXPSRBSA-N 444.626 4.701 30 10 IJEE C=C(Br)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC=CCC1 1760302952 WFTWKUUGDUZODZ-UHFFFAOYSA-N 441.329 4.792 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760317458 GHTCQCYJZCKAMB-TYPHKJRUSA-N 445.007 4.831 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1760356568 QWHPMZHAPXKANV-ZJSXRUAMSA-N 437.632 4.628 30 10 IJEE C=C(C)COCCn1c(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)nnc1C(C)(C)C 1760361618 OMYIRJCHLIEENQ-YADHBBJMSA-N 426.605 4.772 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1OC(C)C 1760454404 IDKOIEUGQCHOEW-UHFFFAOYSA-N 444.377 4.504 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1cccnc1)C(C)C)C1CC1 1760469710 MXJWGKRDNOMQEV-JOCHJYFZSA-N 432.528 4.843 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccncc1Cl 1760487007 HDCIKIGYFJATFJ-UHFFFAOYSA-N 436.972 4.615 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCSC1 1760487493 VYYHPTKWHVAUIJ-SFHVURJKSA-N 425.627 4.661 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)C(C)C)C1 1760550058 RDNLQUFFJXYHRQ-OAQYLSRUSA-N 426.605 4.937 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(F)(F)F 1760562019 UQYJPTDFYDMGOR-UHFFFAOYSA-N 449.340 4.934 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2sccc2C)CC1 1772554824 VXWGGDHGYPMZPS-UHFFFAOYSA-N 446.418 4.867 30 10 IJEE N#Cc1ccccc1NC(=O)c1nc(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccn12 1858242810 HMKDOPYUEWPQBP-UHFFFAOYSA-N 433.830 4.503 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2nc(C)[nH]c2c1 1861453388 GKTJRAYKFDXCAB-OAQYLSRUSA-N 446.661 4.980 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(OC)c(OC)c1 1862385936 BMJQTQKLGCESEE-GOSISDBHSA-N 436.291 4.609 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862422493 GUYUTSKHTIUFNM-QGZVFWFLSA-N 436.798 4.515 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1OC 1862450406 GOKFGDINPPEAPL-NRFANRHFSA-N 443.927 4.982 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC)cc1OCC 1862511602 MDDVWYWVFFLQOO-NRFANRHFSA-N 427.472 4.530 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1c(F)cccc1Cl 1862592848 LLBDVNHMDIHISE-FQEVSTJZSA-N 447.890 4.578 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CC)cc1 1862742036 FSURVEVKGWHWJW-NRFANRHFSA-N 438.480 4.762 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)c1ccccc1 1868632885 NMSFBRRMKHQZSE-VWLOTQADSA-N 443.547 4.559 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C 1868993886 GZYPESVZJXPZRY-QFIPXVFZSA-N 437.584 4.801 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1870149087 LDOAMIWVDKISKO-UHFFFAOYSA-N 439.319 4.737 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1-c1ccc(C)c(Cl)c1 1870154473 UQRZWMYFOYIPDN-UHFFFAOYSA-N 436.686 4.669 30 10 IJEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3-c3ccc(Cl)c(Cl)c3)c(C)c2c1 1870159722 RGSBHSWATHVHBP-UHFFFAOYSA-N 425.279 4.796 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CSc1nccn1C 1870275260 ONYMPNQECBHWCZ-UHFFFAOYSA-N 449.617 4.565 30 10 IJEE C[C@@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCc2ccccc2)C1 1870348997 VSNMBODSYXQGTG-JOCHJYFZSA-N 441.575 4.774 30 10 IJEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCN(C)CC1 1870548491 FWUFFEFDGXICBX-UHFFFAOYSA-N 449.680 4.540 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871373841 HOSYYQFMSPFDES-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCC(CO)CC2)n1 1871526326 OOBALKRNIZVAFD-UHFFFAOYSA-N 440.636 4.635 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872126278 PCRYHHFRDPUMIQ-AWEZNQCLSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(C)ccc1C 1872424983 OVNCKDMFRJNJAJ-SFHVURJKSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccccc1 1872470392 XERGXXNTEDAZSJ-JOCHJYFZSA-N 446.638 4.576 30 10 IJEE C=CCNC(=O)c1ccc2nc(-c3cc(OC)c(OCc4ccccc4)c(OC)c3)[nH]c2c1 1872730007 GFFJFMXAYGFOMG-UHFFFAOYSA-N 443.503 4.742 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872764836 ZLTSEWFGYVPMLC-OZOXKJRCSA-N 445.544 4.605 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1F 1872774815 CKKPPJGYACLKGB-IEXSPKMKSA-N 438.480 4.865 30 10 IJEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccccc3OC)n2)cc1Cl 1872783173 TYCOYNAGHSPQIR-CQSZACIVSA-N 428.897 4.979 30 10 IJEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1O 1874232357 KOFQUOAIBYAQGW-PCLIKHOPSA-N 430.533 4.788 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cc(Cl)ccc1O 1874252677 UFZBGIJNUUJPGM-OEAKJJBVSA-N 430.961 4.951 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccc2O)cc1 1874350544 RNCBLSZXOIBJDH-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccnc2)cc1 1874421967 NQDBVTPASSPYCU-ZVHZXABRSA-N 448.577 4.577 30 10 IJEE Cc1ccc(COc2ccc(/C=N/n3c(CC(C)(C)C)nnc3SCCO)cc2)cc1 1874441029 FPZZXSXTPHYGRY-PCLIKHOPSA-N 438.597 4.721 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874494515 QDEXZSFMYQJEOK-CIAFOILYSA-N 438.469 4.537 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C(C)C)cc1 1874509186 PFDVNIVMHXLOID-ZMOGYAJESA-N 425.533 4.716 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2c(F)cccc2Cl)o1 1874519526 XFCFMRZZMZNZQY-LSFURLLWSA-N 434.880 4.502 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874565417 ZDPDDVOZADITIF-BUVRLJJBSA-N 445.504 4.527 30 10 IJEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)Nc1nccs1 1874600610 VAXWNYRKLWXVMF-FNORWQNLSA-N 436.533 4.991 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OCC(=O)OC 1874623888 AOOYNVQOSMUENQ-IZZDOVSWSA-N 427.453 4.565 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OCCO)c(OCC)c2)c1 1874630213 QGGPLDKSJRCAPG-VQHVLOKHSA-N 434.916 4.803 30 10 IJEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1C 1874707387 CPHYWWLNFLNBDG-JXMROGBWSA-N 430.456 4.913 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccccn1 1875116108 LUKVIGBKCHKKKD-MDWZMJQESA-N 444.443 4.842 30 10 IJEE C#CC[C@H](C)C[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2020078039 JVKOEPWAERHAAU-RZPFDVGOSA-N 427.633 4.574 30 10 IJEE CN(C)C(=O)c1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079218666 NLNPEBCPJNWAMC-UHFFFAOYSA-N 448.136 4.513 30 10 IJEE C[C@H]1C[C@H](Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)C1 2105992199 RLSNVFXGRQTUQF-GXTWGEPZSA-N 426.330 4.907 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NC 2110509879 MHDRKICHZFLZMJ-CABCVRRESA-N 447.776 4.679 30 10 IJEE COC[C@@]1(C)CCSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2157909998 NZWHGAMDPOFJMY-CYBMUJFWSA-N 445.153 4.717 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(Br)cc(F)c2C#N)CC12CCC2 2174812145 HPBUUZHOLMMKBG-ZDUSSCGKSA-N 438.341 4.591 30 10 IJEE CCC1(C(=O)Nc2ccc(C#N)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2181132846 LEIFSIRXLVGYCU-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2235723889 FMKHWYHVXDNXOE-QXAKKESOSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Cl)cc(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)c1 2248404394 MFFGGLSOPCZJMM-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(O)CCCN(C(=O)OC(C)(C)C)CCC1 2257009903 WBVMAWVKQXLEBI-HSZRJFAPSA-N 446.632 4.670 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2c(F)cccc2Br)NC)C1 2273835433 HANSUAQQAQEQKE-KRWDZBQOSA-N 427.358 4.580 30 10 IJEE C=CCCC1([C@@H](NCCC)c2nc(C)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2281048027 MEVLQUCPIPPTOY-INIZCTEOSA-N 441.414 4.725 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(C(C)C)n2)CCN(C(=O)OC(C)(C)C)C1 2287704447 YVFVSRHWHHOIIX-FQEVSTJZSA-N 440.382 4.945 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C1(N(C)C(=O)OC(C)(C)C)CCCCC1 2296289327 QKQMWOOFPFXUMQ-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2296300944 OSIAGDOPCMOPHR-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2cccc(Cl)c2)s1 2296331137 WOILIWUZMYATCG-OAHLLOKOSA-N 443.937 4.540 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2307553739 NNVIQAIPEVNYLE-GRADPPADSA-N 428.573 4.601 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccccc1Cl 2320958632 PJXKNHPXMMQAJS-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)C1 2321158671 IHRMTCQXWXFJLS-DVECYGJZSA-N 445.560 4.655 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2321856630 UNAWBDOAUIGRGO-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE COC(=O)c1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1 2321985766 PQJSEELBILOKLE-UHFFFAOYSA-N 441.483 4.750 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2322687590 RPZGJRAXHWLRFM-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)c(OC)c1 2322864015 FDMCIQOGIWGSNG-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc(O)c2CN1CCCc2ccccc21 2324023827 PPJWEJQKUJSJLU-UHFFFAOYSA-N 427.456 4.690 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl)NCc1ccccc1 2324084557 RMOXDNDTSJCBPQ-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE Cc1cc(O)c(CN2CCC(CO)CC2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324175861 GYBWNYQHXSGEQC-UHFFFAOYSA-N 448.346 4.828 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)s1 2324800567 CVSKGKICSGXWIZ-KRWDZBQOSA-N 435.505 4.513 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325235056 DDCDIZZPHTVOQJ-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)ccc3C2=O)c1 2325514166 PSAQTZLCDZBOLD-UHFFFAOYSA-N 437.398 4.607 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cc(OC)c(O)c(OC)c1 2325603898 LGNTWFVSXQIBFD-UHFFFAOYSA-N 448.548 4.891 30 10 IJEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2327016657 JCZJSPBNBJTIES-UHFFFAOYSA-N 437.525 4.667 30 10 IJEE Cn1cccc1C=Nn1c(COc2cc(F)ccc2F)nnc1SCc1ccccc1 2327482323 ZOSISXHSOHUAPG-UHFFFAOYSA-N 439.491 4.648 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2ccc(OC)cc2)nnc1SCC=C 2328401025 CVTWVTMBUWDGAE-UHFFFAOYSA-N 436.537 4.591 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330621402 HYBPCGSTGBOIEA-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c(O)c1 2331356061 JUEBOTXUBDFULD-UHFFFAOYSA-N 434.924 4.999 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2331362485 PXAOTEGCLLNIRD-UHFFFAOYSA-N 443.960 4.548 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339542078 WCZNXHRQPKLZBK-RBUKOAKNSA-N 443.397 4.974 30 10 IJEE CC[C@]1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339583017 UKYYODTZTGTUSA-ZOBSEURRSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]2(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339589385 WSXROTUSSKMWQR-KOSHJBKYSA-N 442.365 4.505 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3cccc(Cl)c3Br)C2)OC1(C)C 2342557926 LOHUUWATXJUHHQ-SFHVURJKSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2ccn(C3CC3)n2)cc1Br 2365974116 CMCILIKTEHTGRA-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE Cc1cc(CN[C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679885 ISSRIKLVNTZZIL-RUZDIDTESA-N 448.460 4.827 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)C2 2370219829 NQERKOKYAIJHRE-YUXAGFNASA-N 433.390 4.616 30 10 IJEE CCc1ccccc1NC(=S)/N=C(\Nc1nc(C)cc(C)n1)N1CCc2ccccc2C1 14159997 NSZWOSBJYKIMRG-UHFFFAOYSA-N 444.608 4.879 30 10 IJEE CCOc1ccc(/N=C(\NCCc2c[nH]c3ccccc23)NC(=O)c2cccc(F)c2)cc1 15728924 SRYAGXLCJUBIBB-UHFFFAOYSA-N 444.510 4.956 30 10 IJEE C=CCSc1nc2ccc(NC(=O)CSc3nnc(CC)n3CC=C)cc2s1 20425656 RRZPDDNHSUMYJL-UHFFFAOYSA-N 431.612 4.645 30 10 IJEE CC(C)=NOCCOC(=O)[C@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 31318375 FROBCXTULYFHEJ-HNNXBMFYSA-N 443.887 4.798 30 10 IJEE biogenic C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32291460 KZXMQZRTKINFFZ-OSPHWJPCSA-N 425.488 4.984 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cccc(F)c2)c1C 32972192 GEBYUAZFMZRIOT-UHFFFAOYSA-N 425.483 4.505 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(CC)s2)c1 35490702 OOUKHIRCBYPYET-FQEVSTJZSA-N 445.500 4.522 30 10 IJEE COC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2cc(OC)ccc2OC)C1=O 36257432 ZNCGYBDRKIDENF-GZTJUZNOSA-N 431.897 4.511 30 10 IJEE O=C1/C(=C\c2ccc(Br)cc2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 37857812 GMXZMDFHTLLJAF-SRZZPIQSSA-N 449.304 4.812 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)COc1c(C)cccc1C 40844643 DGGWBRIFCSAEKO-UHFFFAOYSA-N 442.467 4.759 30 10 IJEE Cc1cc(OC(=O)c2ccc3c(c2)OCO3)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 41291590 FILOYDDNNCFHFX-KSEXSDGBSA-N 443.455 4.625 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1OC 169949812 AGINVAXMVOUVPO-QHCPKHFHSA-N 435.520 4.842 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)c1 169957563 RLOLQDJQTLLSQS-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc3ccccc23)cc1 170046431 ZGOOCJMVYYWSEJ-DEOSSOPVSA-N 428.532 4.542 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(OC)cc(OC)c3)[C@@H]2c2ccco2)cc1 170090172 IFHKCDBVGBQBHM-JOCHJYFZSA-N 433.460 4.642 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(C)o2)cc1 170101561 DVOAJJATVZYYSK-HSZRJFAPSA-N 445.471 4.705 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 170130145 PCXTZGVMJCVVPO-NRFANRHFSA-N 430.485 4.714 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccnc2)c1C 170187919 OAWNETHJTPPWEI-XMMPIXPASA-N 440.499 4.806 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1C(C)C 170192834 MHUNOKPNHNVMFB-HSZRJFAPSA-N 446.503 4.894 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1)c1c[nH]c2ccccc12 170203950 OSKCFHCYRMLKIQ-OAQYLSRUSA-N 429.863 4.999 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(O)c(Cl)c1 170219918 SCJIIEKREXTLEQ-LJQANCHMSA-N 433.863 4.572 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170230037 QORIXWDZMOJUJU-DNVCBOLYSA-N 432.303 4.751 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2F)cc1C 170250999 DAPMTCJWWZWBLI-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C)o2)c1 170298575 YQWCICXWKDMUAE-HXUWFJFHSA-N 447.915 4.643 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(C)o1 170307157 QNJVXXSPLCJPCS-IBGZPJMESA-N 441.867 4.930 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(C)[nH]c2ccccc12 170311889 OYPPLGCAIJNUED-NRFANRHFSA-N 433.464 4.763 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1O 170322821 HVNXLYJBIUUSBY-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2O)ccc1O 170465271 KEGQPOKDPGOJBY-NRFANRHFSA-N 445.899 4.665 30 10 IJEE C=C(CNc1c(Br)cc(Br)cc1Br)C(=O)OCC 232446310 DMLPXLYIOZZAOX-UHFFFAOYSA-N 441.945 4.505 30 10 IJEE C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1C12CC3CC(CC(C3)C1)C2 253565334 HPRNCUAJEMMJAS-UHFFFAOYSA-N 448.636 4.609 30 10 IJEE CCCCCCCNC(=O)c1c(N)n(N=Cc2cccs2)c2nc3ccccc3nc12 254477882 XVFFQQQTOXWNAW-UHFFFAOYSA-N 434.569 4.811 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 303459189 NLYGIJIZPMAGTE-UHFFFAOYSA-N 437.421 4.730 30 10 IJEE N#Cc1ccc(Nc2ccc(Br)c(I)c2)cc1[N+](=O)[O-] 312837783 UWWNQAGALKWFRT-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C=C(Br)COc1c(Br)cc(Br)cc1CNCC 379766825 JWIAWQXHCSJKCJ-UHFFFAOYSA-N 427.962 4.609 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 520615993 IGLZBHFSNYOHQC-HSZRJFAPSA-N 447.627 4.703 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)c(OC)c1 526489055 DSUKJLLLYBLBEP-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2OC)cc1OC 526490382 VVFDIOPSTZOQKW-XMMPIXPASA-N 442.471 4.641 30 10 IJEE C[C@H]1CCCN(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)C1 526688043 DRJVNSCFLXPZJL-HNNXBMFYSA-N 437.952 4.821 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 537666040 RMBJENBDBKBZQE-MRXNPFEDSA-N 431.467 4.579 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(c2ccnn2C)CC1 549265568 GMWLSHNUNGEYIQ-UHFFFAOYSA-N 431.371 4.946 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(c2nnc3ccccn23)CC1 554921276 PPFCEGLWGDXOBA-UHFFFAOYSA-N 435.535 4.711 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 583512440 KXJVSGHDEZLTDY-HXUWFJFHSA-N 437.931 4.720 30 10 IJEE O=C(N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1)c1cc(Cl)cc(Cl)c1 585853283 RWTQPWAAFQKLCL-KZFWWMDYSA-N 437.754 4.780 30 10 IJEE N#Cc1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 687745308 RQCXQIFWVOXLLR-HSZRJFAPSA-N 430.435 4.752 30 10 IJEE N#Cc1c(F)cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 687754161 NAVFEMCEIKJKHD-HSZRJFAPSA-N 448.425 4.891 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Br)ccc1I 692276607 IRMOONRVUKRPQB-ABAIWWIYSA-N 448.142 4.918 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 698840001 QEEKCSRCQUIQCE-AUUYWEPGSA-N 435.487 4.858 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(F)cc1F)[n+]1cc(O)cc(Cl)c1 738012141 GFTHSLMNYGCGEJ-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 742419196 WTPWLWQFHOLJOS-FQEVSTJZSA-N 433.468 4.693 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc2c(c1)OC1(CCCCC1)O2 743465086 BWPOMCRBUKXKSK-GOSISDBHSA-N 435.524 4.874 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2c(-c3ccc(F)cc3)noc2C)c1 744698420 QRPZMHUOVSBKKF-SFHVURJKSA-N 449.482 4.898 30 10 IJEE O=C(/C=C/c1cncc(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769639049 GJGCPWDYKHXUPV-WZHGYECESA-N 448.338 4.872 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccc(C#N)cc1F 779558198 OHFDMKZMNFLEGU-NRFANRHFSA-N 438.503 4.921 30 10 IJEE C[C@H](NC(=O)NCc1ccc(N2CCOC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 783019887 FUMPYBMLBXFZCP-SFHVURJKSA-N 440.503 4.742 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N(Cc1ccc(C#N)cc1)C1CC1)C2 795055681 OBZRYSRUCAYAPT-VMDDHHINSA-N 437.584 4.769 30 10 IJEE C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 799931799 CTAFSLSIBQVCML-SFHVURJKSA-N 446.576 4.648 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](c2ccccc2C)C1 802550772 HFQFIFPLNQOLKQ-JOCHJYFZSA-N 445.567 4.583 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](C)[C@H]1c1cccc(F)c1 809920871 FUAQBVGBGZYNBP-JPYJTQIMSA-N 449.530 4.617 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4cccc(F)c4)c(F)c3)cc2C1=O 1125791310 LGVVLPKHFKXNTC-UHFFFAOYSA-N 448.425 4.578 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(Br)c(F)c2)c1 1126067654 CKOMETXYYVIZTH-UHFFFAOYSA-N 439.284 4.969 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)cc1 1127170413 DOMGGROIRNVVNT-NRFANRHFSA-N 445.519 4.774 30 10 IJEE C#C[C@@H](NC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1 1129608894 KJJGFEKKDFCLHB-QGZVFWFLSA-N 444.716 4.576 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1 1129610710 PGJMVGKOJCTVBB-INIZCTEOSA-N 441.550 4.898 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)c(OC)c1 1130479804 KTSLLCIHUAMZDY-UHFFFAOYSA-N 429.476 4.809 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)c1ccccc1 1135229513 WZVDNGPDCYTMJZ-LJQANCHMSA-N 443.931 4.913 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1 1136603679 HMLXROGRIZLULG-UHFFFAOYSA-N 445.950 4.996 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 1144562409 LMYWNJPYLLHUBE-GXRSIYKFSA-N 428.573 4.757 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1ccc(C#N)c(Br)c1F 1163000937 QWDOLOMIQSBTFX-UHFFFAOYSA-N 448.336 4.991 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccccc3NC(=O)c3ccc(OC)cc3)cc21 1179489100 WIHOXRLDQVIATM-UHFFFAOYSA-N 426.476 4.736 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@@H](CC)c2ccc(F)cc2)CC1 1197523047 FQGHLUAELXZLDZ-XXBNENTESA-N 429.605 4.559 30 10 IJEE Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Nc2ccc(C#N)c(Br)c2)cc1 1217645800 GQYGRNOKCOXQPO-FQEVSTJZSA-N 442.357 4.885 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)c1ccccc1 1224521381 GFBMWSZNZSEVLO-KKSFZXQISA-N 449.364 4.746 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2OC)C1)c1ccc(F)c(F)c1 1234565775 GYZVKQCDTNYIFB-VGOFRKELSA-N 443.494 4.651 30 10 IJEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1ccccc1 1266421708 QNHIKLQRPZECIL-HSZRJFAPSA-N 440.609 4.528 30 10 IJEE CCN(c1ccnc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n1)C1CCCC1 1275489745 GBGQWNICENAVTR-UHFFFAOYSA-N 441.535 4.948 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1286326293 AAYSNANUHPQXKT-HXUWFJFHSA-N 434.613 4.525 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCSC 1286536270 XHONUAXLUCPEDA-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286684090 FCLJRELBQYRZKN-NRFANRHFSA-N 440.588 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cn(CCCCC)nc1C 1286721859 JZTMQUREDXHVTQ-UHFFFAOYSA-N 431.588 4.802 30 10 IJEE C#CCN(C(=O)CCC[C@H](O)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1293513855 RUXDVBGXNSFHHH-SFTDATJTSA-N 442.353 4.638 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1297859265 DVCVQRYLXKPMTO-YSIASYRMSA-N 427.643 4.680 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)CC(C)(C)C1 1300751871 UZAQUGACZCALJC-MRXNPFEDSA-N 447.446 4.946 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2cc(F)cc(C)c2C1 1300930343 AHWDMBCQINKALK-UHFFFAOYSA-N 444.352 4.632 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1301145825 IDFKUDPPHPAJNH-UHFFFAOYSA-N 446.599 4.741 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nccn1C(F)F)C1CC1 1301313705 FRMBHZIRQMQOIW-KRWDZBQOSA-N 442.514 4.830 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCCc1cccc(C)n1 1301340215 XASDPGFSTXWKDG-UHFFFAOYSA-N 437.551 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(c2ccccn2)CCC1 1301375600 PUDKRYSQXUXGSR-UHFFFAOYSA-N 430.512 4.549 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1301470200 SJVUBPWYLKMAQB-MSOLQXFVSA-N 439.387 4.990 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(C)CCCO1 1304134926 BIFUYNQYFSITAL-PMAPCBKXSA-N 445.995 4.996 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1Br)c1ccc(F)c(F)c1 1309417860 GNPMBGVGHQIZTC-MRXNPFEDSA-N 436.705 4.976 30 10 IJEE COc1ccccc1C1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCC1 1310112932 BZTRWBXGMCGWQS-UHFFFAOYSA-N 428.492 4.998 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 1312000073 IDCURQXGDULEEG-RUZDIDTESA-N 445.604 4.724 30 10 IJEE C=CCC(F)(F)C(=O)Nc1cc(-c2ccc(OC)c(OC)c2)sc1C(=O)OCC 1349035583 RACNPOBDLNNRCD-UHFFFAOYSA-N 425.453 4.759 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 1351749482 GTYWGFRRTFPRDW-UHFFFAOYSA-N 432.476 4.858 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CCCN1C(=O)OC(C)(C)C 1354528806 DLJDBCIDOHCSGA-QHCPKHFHSA-N 443.544 4.605 30 10 IJEE CC[C@@H]1[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1C(=O)OC(C)(C)C 1355839820 GJZLBLJNTLKVLP-WOJBJXKFSA-N 436.512 4.720 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(OC)cc2OC2CCCC2)cc(OC)c1OC 1358049552 WAIQCHZNAWBYMB-UHFFFAOYSA-N 425.525 4.692 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCN1C1CCCCC1 1358898140 NCSQCPJNGBALSU-QPPBQGQZSA-N 449.643 4.675 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CCC 1358912799 YSRHUSJEPUHVHF-WOJBJXKFSA-N 431.625 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCCS1 1358988021 ZPMNKXBVFHDVMY-ICSRJNTNSA-N 438.666 4.880 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1CCC(OC)CC1 1358998939 XVYILRUSROWQDD-UHFFFAOYSA-N 436.625 4.547 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1359005508 KXEUUIBNWXVIOP-OAQYLSRUSA-N 437.588 4.584 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359206391 CZRWSFHUXXLQNR-XUVXKRRUSA-N 442.608 4.628 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359209586 RQZXQHVZLRZZMB-UHFFFAOYSA-N 426.952 4.814 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359234593 UMWKOUHBHDIAHN-SJLPKXTDSA-N 446.437 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@](C)(O)CCC 1359267568 KTZAWQFAUODURV-HXUWFJFHSA-N 437.357 4.576 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC(C)(C)O)C1 1359313861 SCORHPRWJMSYQS-OAHLLOKOSA-N 447.004 4.756 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1 1360123322 DUZNRKUBAGROEQ-UHFFFAOYSA-N 433.537 4.847 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nnc(CC3CCCCC3)s2)CCCN1C(=O)OC(C)(C)C 1435099564 HQFUSOBYKDKMTD-QFIPXVFZSA-N 434.606 4.945 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)ccc1Cl 1437370926 SUMVWLDEIHTEMP-NZSAHSFTSA-N 444.984 4.640 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccccn3)nc3sccc23)cc1OC 1438182359 SEQLYQQBNFXTJF-NTMALXAHSA-N 444.516 4.979 30 10 IJEE C=CCCC[C@H](C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1 1440253984 WXXKXVGJFCWFDU-IBGZPJMESA-N 425.472 4.736 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)C(C)C)ccc2c1=O 1449111052 VCFSYOFKEBZXLH-LJQANCHMSA-N 441.984 4.694 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(N3CCC(C)CC3)c2)CCCN1C(=O)OC(C)(C)C 1456666600 JJKHDOCGDZFFKC-VWLOTQADSA-N 425.573 4.654 30 10 IJEE C#C[C@@H](NC(=O)c1nc(CCC)n(-c2ccccc2Cl)n1)c1ccc(Cl)cc1F 1460787542 LNKDCCZUANDOPK-QGZVFWFLSA-N 431.298 4.770 30 10 IJEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 1463519962 PEUUITVWLSFUHW-HSZRJFAPSA-N 443.609 4.580 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccc(Br)cc1 1465619136 SMRSTIKKOYQTFZ-MRXNPFEDSA-N 445.317 4.527 30 10 IJEE COC(=O)COc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1 1466726540 DJRAQIROACLWGG-SFHVURJKSA-N 444.487 4.702 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1 1466735853 FIMGNKDIGKBJEA-HOCLYGCPSA-N 431.945 4.557 30 10 IJEE Cc1cc(NC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)c(C#N)cc1N(C)C 1466763366 DSAMJXSLNCQNPV-ZDUSSCGKSA-N 433.325 4.587 30 10 IJEE C#CCN(C(=O)NCCc1ccc(-n2nc(C)cc2C)cc1)[C@H]1CCCc2ccccc21 1467729751 SJMDSPDEEHRSOH-SANMLTNESA-N 426.564 4.754 30 10 IJEE C=CC1(CC(=O)N2CC[C@H](c3cccc(Br)c3)C2)CN(C(=O)OC(C)(C)C)C1 1468208683 FTBBOIUKSIJPEA-KRWDZBQOSA-N 449.389 4.578 30 10 IJEE C#CCN(C(=O)c1cncc(-c2ccc(C)cc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881815 DWVUQHVVPUBQQZ-UHFFFAOYSA-N 433.552 4.532 30 10 IJEE CN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1478219697 CBRUZNQCZKZCID-XMJKJUTBSA-N 448.567 4.531 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1)c1ccc(F)c(F)c1 1478473009 WSBPFOXGGUXDQT-FOVJLYNBSA-N 449.542 4.871 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CCN(CC)CC)c1ccccc1)c1ccc(Br)cc1 1478896546 OWEQVIHRPSGSCO-YADHBBJMSA-N 442.401 4.896 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1CC 1507521961 DOFDRCNTPIHNNH-CQSZACIVSA-N 429.387 4.838 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(OCC)c1 1507606696 UYQGITLJUOEONS-UHFFFAOYSA-N 434.609 4.986 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1507747219 FYYOEFGTMYXXPZ-CVEARBPZSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[C@H]1CCCCO1 1507763964 IBAWRKDYZDQRNE-DRMXPCRNSA-N 426.536 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN(CC(C)C)C1 1507770346 KXGDNOOZQGGMNA-LEAFIULHSA-N 447.671 4.814 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](CC)C1)c1ccccc1 1507851546 RMZCBIZLLYLJFQ-FQEVSTJZSA-N 425.627 4.679 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1507900290 IRDJEDYNXKUKEJ-MJGOQNOKSA-N 430.980 4.561 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OC)C1)c1ccccc1 1507929266 OTRINWWDUVFJPZ-IRLDBZIGSA-N 437.613 4.609 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCC1CCCC1 1507980097 AUOOYKQDPUOLJS-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1cccc(C)c1 1507984405 VZPGGAFSUPIZOT-UHFFFAOYSA-N 439.604 4.566 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCCCC1 1508004605 NXYHOGJVRYSOMF-HSZRJFAPSA-N 437.632 4.977 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1508165782 XXHFBWCHMUVSGC-QFIPXVFZSA-N 435.597 4.533 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1508166725 CXRFWUDVTBXONY-HZPDHXFCSA-N 439.050 4.760 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)C[C@@H]1C 1512332265 GOIQRAFJGMQIRD-CVEARBPZSA-N 441.988 4.974 30 10 IJEE CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)s1 1513721540 HLSLDZSJVAAHTN-MRXNPFEDSA-N 432.553 4.983 30 10 IJEE C=CC[C@@]1(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)CCCN1C(=O)OC(C)(C)C 1516796999 LCXFWFYYPARPKT-QFIPXVFZSA-N 447.919 4.779 30 10 IJEE Cc1nc(SCC(=O)Oc2cnc3ccc(Br)cc3c2)c(C#N)c(C)c1C 1517030470 BXLHJCGFBKIZHP-UHFFFAOYSA-N 442.338 4.887 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1526265161 UBJYQQXGAFEINC-ZJCBTPCYSA-N 448.579 4.511 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(F)cc2Br)CCCN1C(=O)OC(C)(C)C 1527094456 IEFSCDSMVNXUTF-IBGZPJMESA-N 427.314 4.873 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1528518210 AUNINNUAXOHPTM-WIYYLYMNSA-N 433.581 4.673 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1529591855 FLYQDNMPXSVYES-UHFFFAOYSA-N 444.844 4.741 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1OC 1530176664 MHGYHDSZFFSBQH-UITAMQMPSA-N 446.906 4.541 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1 1533651280 OEZZVAMNNGKLAQ-UHFFFAOYSA-N 425.653 4.599 30 10 IJEE CC(C)[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)c(F)c1 1534154500 GFCKHMGYKZISEP-BTYIYWSLSA-N 432.854 4.783 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 1538215409 TXSOZUPWMPPMCE-UHFFFAOYSA-N 425.891 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1csc(CC)n1 1538982532 FXEPDOOYRQKRSN-CABCVRRESA-N 425.627 4.657 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1539004757 MZPCJWMQTUMPDG-UYAOXDASSA-N 429.609 4.573 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1539103060 NIDXNSFNWHPZAN-UHFFFAOYSA-N 446.574 4.517 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1539160918 DWJWCOJANGDTCI-OXQOHEQNSA-N 445.007 4.906 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H](C)CCC 1539619454 FWZHSLPWAPVSHN-LMNJBCLMSA-N 427.549 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc2ccccc12 1539651829 LFDGAUNYWKABJZ-XMMPIXPASA-N 440.613 4.984 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1539716033 PYEHQCCONUYPPX-UHFFFAOYSA-N 447.583 4.801 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(O)(CC)CC)CC1 1539873976 IERVDWGMKIPBEV-HXUWFJFHSA-N 426.605 4.988 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(CN(CC)CC)c2)CC1 1539891678 JAEWXTHMQDBARZ-UHFFFAOYSA-N 444.627 4.556 30 10 IJEE COc1cc(OC2CC2)ccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1539917781 HVNRSSNANAJISR-UHFFFAOYSA-N 430.508 4.844 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@@H]1C(C)C 1540179831 BELBPBZVSQKQRR-DNQXCXABSA-N 431.584 4.636 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Oc3ccc(NC(=O)c4cccs4)cc3)n[nH]2)c1C 1540511436 JWIFZPXZVFKKJB-UHFFFAOYSA-N 447.520 4.609 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)s1 1542833664 DBTYTWNJMFLMLB-OLZOCXBDSA-N 432.956 4.902 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)c1 1543310743 BVQULXZHOYELFX-LJQANCHMSA-N 439.559 4.736 30 10 IJEE CCC[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1546832746 HPBOQJJLYXHLAF-ZPZUNKDASA-N 439.604 4.716 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC(F)(F)C2)cc1OC 1547260819 FMRLTTZIVIYUMP-IAGOWNOFSA-N 447.530 4.774 30 10 IJEE CN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)N(C)C 1554181713 CXZSUMVOVSNSAB-OAQYLSRUSA-N 448.621 4.879 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C(F)F)CC1 1556347467 DTAPYDNLXPOPJI-NRFANRHFSA-N 440.490 4.774 30 10 IJEE C#CCN(C(=O)c1ccc(N(CC)CC)cc1)[C@H]1CCOc2ccc(Br)cc21 1565764219 GUDVVRHKARYLMR-NRFANRHFSA-N 441.369 4.895 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3[C@@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)cc2n1 1585161801 RFTCXCSQNFEORP-ZNLUXHQJSA-N 438.572 4.977 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H](C)[C@H](C)c3ccc(Cl)cc3)n[nH]2)c1C 1587735344 ADBCOSIOWQUARW-GOEBONIOSA-N 425.964 4.994 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)C(=O)OCC 1588122201 NFLCCTIRZIQOOM-IBGZPJMESA-N 428.891 4.633 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1CC 1589007728 PLHNISRHQVSCQS-ZDUSSCGKSA-N 425.421 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)CCC(C)C 1589163093 HZWZIKFJRDEEAF-CLJLJLNGSA-N 434.628 4.927 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCc1csc(C(C)(C)C)n1 1589171616 MAQBCDRLOLIJEZ-RUZDIDTESA-N 449.624 4.943 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1([S@@](C)=O)CCC1 1589599783 MCNMVPPEHJLEER-PKHCJMHPSA-N 444.645 4.739 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCNC(=O)C1CCC1 1589732007 ZFLBHPIWBYHTMF-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1594497306 FETMMDBBAZSSOE-LJQANCHMSA-N 431.669 4.848 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C(C)C)c1ccccc1 1594544339 IQWCRYIEEJANAB-RBBKRZOGSA-N 433.556 4.597 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1595165524 JJBXGWPHXGPQIL-FBLLAGFSSA-N 446.643 4.998 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2F)C1 1595178962 SYPDSDGABLPSAK-UMEGOILYSA-N 440.563 4.755 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@@H](SC)C1 1595890525 XNJIXCQUDYCIBI-MRXNPFEDSA-N 438.613 4.788 30 10 IJEE CC(C)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)CC1 1610207927 GHJWRYPMJVPNAF-UHFFFAOYSA-N 448.640 4.823 30 10 IJEE CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1614745428 HJMNDRFHYUIUBP-GOSISDBHSA-N 440.592 4.699 30 10 IJEE N#Cc1ccc(C2=CCN(C[C@@H](O)COc3ccc(Cl)cc3Br)CC2)cc1 1616898558 CUAVSULOSBHTPE-LJQANCHMSA-N 447.760 4.503 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 1620605786 AEMYWQASTVMWAX-NTKDMRAZSA-N 447.645 4.517 30 10 IJEE CC(C)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)Cc1ccc(Cl)cc1Cl 1621786198 AYJORLDRJHWFRH-MRXNPFEDSA-N 443.371 4.938 30 10 IJEE Cc1nc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)sc1-c1ccccc1 1622847341 FIEKHNVUSMTPBL-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE C#CC[C@H](CCOC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 1623649073 JEFRGFGSVJWAEK-KAZHMNLESA-N 439.440 4.653 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1627268071 BCJKBMUFHKLWAK-OAQYLSRUSA-N 442.918 4.877 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cc1 1631136312 BSUPXMYDGVINMW-XMMPIXPASA-N 435.543 4.633 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cc1 1631538852 DJWWQNKUOYYHFN-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE C#CCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CCC2 1633509426 ZDPFHTHQYKDHME-MNDPQUGUSA-N 426.516 4.882 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1634029718 HOZGPECXLBHGKC-LSTHTHJFSA-N 448.405 4.687 30 10 IJEE C=CCNc1ncc(C(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)s1 1636620396 XMKDAVQEJVTZHM-QGZVFWFLSA-N 428.558 4.746 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1 1641286793 HVPAHCVEZIIGJC-CZAAIQMYSA-N 429.561 4.636 30 10 IJEE Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2c(-c3ccccc3)csc2n1 1642547275 AQLNAYZVZSGQML-SJLPKXTDSA-N 435.553 4.838 30 10 IJEE N#Cc1ccccc1SCC(=O)N=c1sccn1Cc1ccc(Cl)cc1Cl 1643709804 DZFKERZWGVNUFI-UHFFFAOYSA-N 434.373 4.996 30 10 IJEE C#CCN(Cc1cncc(C(F)(F)F)c1)[C@@H]1CCOc2ccc(Br)cc21 1644632381 UMSHTKQVSXFXBG-QGZVFWFLSA-N 425.248 4.822 30 10 IJEE C#C[C@H]1CCCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)C1 1646456532 YLJHFZJQVVPIRQ-HNNXBMFYSA-N 430.957 4.529 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCCN1CC 1649539834 RKWCLYLCGZEVDW-NQIIRXRSSA-N 448.640 4.709 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccn2)CCS1 1649592720 FBLXCECTAFSFFL-UHFFFAOYSA-N 432.597 4.566 30 10 IJEE C#C[C@H](NCc1c(C)nn(-c2ccccc2)c1Oc1ccc(OCC)cc1)C1CCOCC1 1652855242 GIUHBDMHPRAIDJ-SANMLTNESA-N 445.563 4.890 30 10 IJEE N[C@@](C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)(c1cccc(F)c1)C(F)(F)F 1654480427 FESWAWVCAVPWAD-SCLBCKFNSA-N 434.355 4.577 30 10 IJEE C=CCn1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)nn1 1656481590 APVKGYHYSUPBKH-UHFFFAOYSA-N 430.581 4.719 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NCc2nc3cc(Br)ccc3o2)n1 1657644971 BNDLKWOYJHLOFX-UHFFFAOYSA-N 428.677 4.913 30 10 IJEE Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C 1658206371 FJUFWXNKMPRZDA-LJQANCHMSA-N 426.520 4.841 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCC(Oc3ccc(C#N)cc3F)CC2)C1 1659740849 FHYCBXYTBQUGBM-XMMPIXPASA-N 431.552 4.578 30 10 IJEE N#Cc1cc(NC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)ccc1OC(F)(F)F 1661200822 GTUIBGFKWKVTST-UHFFFAOYSA-N 441.793 4.593 30 10 IJEE C=CC[C@H](CO)NC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1665478337 XBEQCGLWMCMHAR-CRAIPNDOSA-N 432.351 4.843 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)CCOCC1 1666756513 BRZKCXRGRIWZDM-HZPDHXFCSA-N 441.494 4.566 30 10 IJEE C#CCN(C)CCCNC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 1668125685 WFMPTAMYIUJERF-UHFFFAOYSA-N 440.906 4.896 30 10 IJEE C=CCCC[C@@H](C)NS(=O)(=O)c1c(Br)cc(C)cc1Br 1668241075 PLCQLNSPLAKWOE-LLVKDONJSA-N 425.186 4.543 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1 1668687791 CHFXKAREIBTCFQ-FQEVSTJZSA-N 431.458 4.504 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CCCCCC1 1670555469 GTUKBEICCFBWQT-JOCHJYFZSA-N 440.588 4.805 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 1670844881 FOQRDADJMRUDRC-WMZOPIPTSA-N 431.330 4.708 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 1677442374 HGHOATVFNLIKMR-OAQYLSRUSA-N 427.342 4.802 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CCOCC1)c1ccc(Br)cc1 1678827555 FXYQVRIANBFEOQ-SFTDATJTSA-N 427.342 4.591 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCC[C@@H](Oc4ncccc4F)C3)c2)s1 1679507298 HMGCRIWYJSOYAA-GOSISDBHSA-N 436.512 4.574 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1F 1682367664 PMWUHHKKLWEDLT-SJORKVTESA-N 449.231 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1689829118 VDNCRGFAQYFZPK-HOTGVXAUSA-N 441.576 4.817 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1csc(C(C)C)n1 1689841746 NFUQYBYWSFRDOT-QGZVFWFLSA-N 430.581 4.774 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1689940266 SRRVIYFPVPOQDV-QFIPXVFZSA-N 434.540 4.776 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CC 1690037172 OVHNSEDZPFTHLC-JOCHJYFZSA-N 449.668 4.613 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1C(F)(F)C12CCC2 1690038439 PMODQNHPFNBELM-IBGZPJMESA-N 444.913 4.505 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1 1690085481 BJAGPXBPEYMCLN-NRFANRHFSA-N 447.029 4.653 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H]1N(C)CCCC1(C)C 1690088107 BULRUZZTCMKMKD-KNQAVFIVSA-N 425.596 4.691 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCSC[C@H]1C 1690165632 FOZHBANZOCHOMO-LJQANCHMSA-N 444.670 4.678 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690307384 ZEDYQYPOHOBJGM-UHFFFAOYSA-N 440.979 4.538 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCSC(F)(F)F)CC1 1690372344 KIYVYGRXTOXEAE-UHFFFAOYSA-N 434.491 4.540 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)c1nccs1 1690520100 JNWBTWAJXVTDSS-ZDUSSCGKSA-N 448.390 4.599 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC(C)(C)C)C1CC1 1690539455 AEEAAIFHUSSOPT-UHFFFAOYSA-N 436.387 4.712 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCN1CCCCCC1 1690556507 YXCHXBCBGZYZLB-UHFFFAOYSA-N 439.648 4.944 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCO[C@H]1C(=C)C 1690592820 JETOMAOWSIRBFG-OFNKIYASSA-N 431.540 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690598803 ACXHMGOHBINUKY-HKUYNNGSSA-N 444.505 4.989 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)C1 1692845036 BSDYNTWNUFYSBK-DENIHFKCSA-N 446.020 4.926 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)c2)C1 1692850722 ABHDIOMSTQZBAK-GHTZIAJQSA-N 433.478 4.717 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)c2)C1 1692850723 ABHDIOMSTQZBAK-NQIIRXRSSA-N 433.478 4.717 30 10 IJEE CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N 1693938870 GCENSTKRUZMYDZ-OAHLLOKOSA-N 434.382 4.652 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](COCC)C1 1705511309 PRJHZGWXILICAG-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CC)CC1 1705517122 OYVHLCHQPPVPRT-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCC1(C)C 1705577083 VMYSIPPOGRPLKR-NRFANRHFSA-N 434.584 4.640 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1sccc1C 1705623082 GMMDEPYPVDMSIS-UHFFFAOYSA-N 436.625 4.941 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1705861724 NCDUVQNJKQBADN-CTNGQTDRSA-N 439.604 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC(F)(F)C1 1705868472 PAQXGPPWRHOXDX-QGZVFWFLSA-N 429.540 4.953 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(C(=O)N(C)C)CCCC1 1705870108 MWPXIRXJUJDLFI-UHFFFAOYSA-N 447.627 4.575 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Br)cc1 1705942799 DYJZIZAQNKEIFF-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC2CCOCC2)cc1 1707565097 HDELEYMBFQVFER-QHCPKHFHSA-N 443.592 4.528 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2C)CC1 1709776369 HVFUJPCSKSXHAT-UHFFFAOYSA-N 434.613 4.546 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1 1710112481 GACHCLWGVLPXSI-OAQYLSRUSA-N 425.602 4.641 30 10 IJEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)=C(Br)C1 1710388749 DGIZEUHPZBATCW-UHFFFAOYSA-N 444.377 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H](OCC)C(C)C 1722284153 ZBKPUYGYBYNREU-HUUCEWRRSA-N 439.423 4.678 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1oc(CC)nc1C 1722286726 JVLGOVWUZDILIP-SFHVURJKSA-N 435.572 4.735 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCn2cc(C)nc21 1722349741 ZDHHFWTVPCMALH-JOCHJYFZSA-N 446.599 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(C)s1 1722391373 LOZIBTJBDHISPU-OAQYLSRUSA-N 432.593 4.916 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nc(C(C)(C)C)cs1 1722406596 SETRDBWDSFCSCQ-UHFFFAOYSA-N 445.596 4.597 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC(CC)CC1 1722457210 TYGWDPQNACLPDI-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCSC[C@H]1C 1722530688 HJMWCVMADIXGQT-QGZVFWFLSA-N 432.659 4.810 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC[C@H]1CCCCO1 1722654639 RNIRZXACSTYBKO-DHIUTWEWSA-N 440.588 4.680 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722655289 ASJWTASMZUOEDD-RTBURBONSA-N 427.593 4.897 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN1CCCC1 1722655812 RWHWPQCYNBQBFU-FQEVSTJZSA-N 444.583 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nccs1 1722688388 BDRBMHANECLUCB-UHFFFAOYSA-N 436.368 4.847 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C)nc2)C1 1722718902 VSTRGSLAFYCIKI-QHCPKHFHSA-N 431.584 4.776 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CC(C)(C)C1 1731108433 BDOHKHGVCJBHEB-QGZVFWFLSA-N 427.618 4.743 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1csc(CC)n1 1740534279 GQHSZWWMCWKIGC-CABCVRRESA-N 429.977 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@H]1CCCCO1 1740541630 DFEQRMIHKPPIMD-DOTOQJQBSA-N 449.368 4.654 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740585561 VZMBPAMVNHBTRC-OALUTQOASA-N 448.640 4.709 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1C1CCC1 1740748420 GEAFNTOASWTMFA-QGZVFWFLSA-N 447.377 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1740844667 QFASWHOYVYHSKV-PMACEKPBSA-N 449.599 4.644 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740868138 FKQWCHUSXWJNHJ-PMACEKPBSA-N 442.007 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)CC 1740922359 DPUXJCBLTYNYJW-XMMPIXPASA-N 448.596 4.750 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCC1 1740922875 VSVIYUZQXGMKHM-YKSBVNFPSA-N 442.629 4.929 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCc2cccnc21 1740940116 UMIBZOWQWGOVGH-LJQANCHMSA-N 437.975 4.752 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)c2ccc(OC)cc2)C1 1740974861 JFTBOPMBCIMIJY-OAQYLSRUSA-N 436.556 4.614 30 10 IJEE Cc1ccc(OC(F)F)c(Cn2c(CC(C)(C)C)nnc2N(CCC#N)CC2CC2)c1 1742260223 FUXXTYKTEHJSMQ-UHFFFAOYSA-N 431.531 4.955 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1743935539 AOXACJNEVMWJKG-QGDZQMKYSA-N 435.616 4.891 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnn(C)c1C 1748698193 DLAQERWYFIRWAK-GOSISDBHSA-N 440.979 4.553 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cscc1C 1748953971 YQQTUGZYUATZCD-UHFFFAOYSA-N 435.380 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(CC)CC 1749054981 BVFFDWJPBWTTDW-AREMUKBSSA-N 430.600 4.526 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1749089663 ACQBFSDHAFOYFI-RYUDHWBXSA-N 427.293 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1749119406 RMRYSJAQIDIJTA-VLFNSIGCSA-N 430.618 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H]1CCOC1 1749148755 FFUDGZPJJRMIPW-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](COCC)C1 1749356014 VSSLVMUXZCXWKV-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(N3CCCCC3=O)CC2)nnc1C(C)(C)C)c1ccccc1 1749384503 CIOAGRXTHGZMSD-JOCHJYFZSA-N 449.643 4.917 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(N(CC)CC)CC1 1749414811 IMXICGPRKNAUNQ-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC1CCCCC1 1749474401 SIRPATDNJBDWBH-UHFFFAOYSA-N 436.387 4.713 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)CN2CCCC2)C1 1749696071 PBIVBKXBQRVNKY-NRFANRHFSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1csc(CC)n1 1749763918 NGBITHALRYTZCR-IEBWSBKVSA-N 449.690 4.771 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(F)(F)C1 1760132449 NOGAAJVNNUWYMV-UHFFFAOYSA-N 426.467 4.766 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cnc(C)s1 1760213060 OLMDIXIEUVXIID-UHFFFAOYSA-N 435.622 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1nccs1 1760229153 FVRILXWMAYOLEO-UHFFFAOYSA-N 437.569 4.971 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C(C)C)C1 1760277423 KJIVASBRABQXAR-HXUWFJFHSA-N 442.629 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1(O)CCOCC1 1760330879 FLNDMEHGESQJAG-UHFFFAOYSA-N 444.645 4.610 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1760380397 AQHQTUKDKSKRPR-NCXUSEDFSA-N 437.028 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccon1 1760406800 MHLZHAFKBGOPLL-UHFFFAOYSA-N 430.350 4.934 30 10 IJEE C=CCCCCn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760430638 OYJKTSBSEIQKIP-HXUWFJFHSA-N 429.392 4.574 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1760439805 UKRDYDWYZSGNIJ-UHFFFAOYSA-N 449.643 4.809 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)CCC 1760491367 DQUXJLHJAZVCSY-OAQYLSRUSA-N 433.394 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CC1(N2CCSCC2)CCCC1 1760492487 UYAYFYIBAXYNNM-UHFFFAOYSA-N 441.620 4.624 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCc2cccnc21 1760496061 GWKHBTNUGZUQOG-IBGZPJMESA-N 435.522 4.841 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCSC)C1 1760537941 URBPFIHHKZNLEG-HNNXBMFYSA-N 427.401 4.786 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C2CC2)C1 1760563656 YSACQTMHMPTSAQ-INIZCTEOSA-N 433.419 4.863 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1C 1771110147 GIRNLAPEMXKXTG-AEFFLSMTSA-N 446.393 4.510 30 10 IJEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1771383444 CYRLILSPFQDZHO-MRXNPFEDSA-N 438.626 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1cccnc1 1772523311 WYDZCLRFERCTBA-HHHXNRCGSA-N 443.595 5.000 30 10 IJEE O=S(=O)(c1cccc(-c2csc(NN=C/C=C\c3ccccc3)n2)c1)N1CCCC1 1772724384 WOBJDKOTYYRIGD-UOYFCZAXSA-N 438.578 4.706 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=NN=Cc2ccccc2)N1Cc1ccco1 1772757541 HDTNWDSDIPFFPN-FYDGMIJASA-N 432.461 4.694 30 10 IJEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@](C)(O)C(C)(C)O)C[C@@H](O)C[C@H]1O 1775954679 KRGCLKZOZQUAFK-IEQYVFCRSA-N 444.656 4.842 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12 1858242106 PVEJEKFASZHVCK-UHFFFAOYSA-N 437.503 4.509 30 10 IJEE CC(C)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)Nc3ccccc3C#N)cc2)cc1 1859132765 SSMTXKOQSKSFEV-UHFFFAOYSA-N 433.533 4.664 30 10 IJEE CCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 1860728673 RZXCUVMOSJBAQG-OQLLNIDSSA-N 431.488 4.894 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2c(Cl)cccc2Cl)cc1 1862539690 VQZKIBAUEOCIHI-FQEVSTJZSA-N 447.362 4.696 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2F)cc1 1862556326 UAXDRIZCOWGNCQ-CMJOXMDJSA-N 446.478 4.756 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)OCCO2 1862719790 OVLLVDDOSYTVRJ-VOIUYBSRSA-N 443.499 4.988 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2ccc(OC)cc2)C1=O 1863337015 USJAOGFXZALXMM-UHFFFAOYSA-N 436.817 4.745 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCCCC)C1=O 1863518983 GMNDBNQLSPBWCC-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE CC[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1866757213 LFWRFOLUXKQDHM-HSZRJFAPSA-N 447.485 4.892 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868401411 YUAJXHAOKYITQG-HSZRJFAPSA-N 442.542 4.603 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OC)cc2)n(-c2cccc(Cl)c2)n1 1870000359 NTVHAKFKZJFEQG-SDNWHVSQSA-N 449.942 4.760 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)/C=C/c1ccccc1Cl 1870107492 LCVJCYCDKRHJNO-CMDGGOBGSA-N 432.698 4.810 30 10 IJEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870386886 IMBDKJNYSTVEME-JCYRPKCISA-N 449.639 4.728 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCOCC1 1870614701 ZAEXXBZTVSGMAC-UHFFFAOYSA-N 430.564 4.759 30 10 IJEE C=CCOc1cn(Cc2ccccc2C)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870809395 ABZOCIZMVLKHDW-UHFFFAOYSA-N 439.899 4.944 30 10 IJEE CCOc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1C#N 1871286939 KKDXHSXIWMPWPF-AWEZNQCLSA-N 445.928 4.613 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871453806 RZJADMVEGPXKAY-FMCGGJTJSA-N 443.455 4.666 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491723 LAFWKNPSFFEYLE-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Br)cc1)S(=O)(=O)CCCC 1871749251 YRTCIGVSFWXCOA-SFHVURJKSA-N 445.423 4.564 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871971568 IMDQRCMBLXUXMW-NRFANRHFSA-N 432.561 4.817 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872023484 HJBWBQLIEXHUAG-JOCHJYFZSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872029370 GIRCIHPGRBTWIA-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(OCC)cc1 1872515802 AQHXOWICKFALOE-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872762957 AVBGFOVATQYTKC-OAHLLOKOSA-N 443.322 4.836 30 10 IJEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872768569 WTVFIFSCWZOCHZ-KFILLSGMSA-N 432.501 4.870 30 10 IJEE CC(C)(C)c1ccc(-c2csc([C@H](C#N)C(=O)CN3C(=O)c4ccccc4C3=O)n2)cc1 1872773566 QOHRUFADQGTELW-LJQANCHMSA-N 443.528 4.580 30 10 IJEE N#Cc1ccc(Nc2[nH]c(=NCCc3cccs3)nc3c2cnn3-c2ccccc2)cc1 1873477797 VLDCLGQVTXCOAI-UHFFFAOYSA-N 437.532 4.569 30 10 IJEE C=CCn1c(C(=O)NCCCC)cc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 1873591719 PEKRUDAJFIQFMX-UHFFFAOYSA-N 431.584 4.606 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1873792739 ONKWJJNLNZEDKS-RWPZCVJISA-N 438.462 4.662 30 10 IJEE CCc1ccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SCCCO)cc1 1874245052 QRVKMSBTDBECPI-YZSQISJMSA-N 438.641 4.956 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCCC)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1874277016 HYBYJDZNSSZWIE-LSPPGFKNSA-N 443.617 4.566 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874321222 GIDBLGDTJWFYLV-LPYMAVHISA-N 425.514 4.766 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cc(Br)ccc1O 1874381187 GRNXRNJPGKRUQW-WSDLNYQXSA-N 449.349 4.860 30 10 IJEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874404579 FMOYIIMPCHDYJM-HYARGMPZSA-N 427.917 4.785 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2ccco2)cc1 1874415701 DKTIIQLEVXEKMP-PCLIKHOPSA-N 445.548 4.637 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1O 1874428522 MXBKFIYAVVYJTI-AFUMVMLFSA-N 434.496 4.973 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccn2)cc1C 1874452197 ITVHYPGEGGODPL-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2nc(O)c3ccccc3n2)cc1 1874539412 DARBVYWQUMSOKG-AFUMVMLFSA-N 448.552 4.670 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2C)cc1OC 1874567072 DCEHNNAUAIQFNT-LFVJCYFKSA-N 440.569 4.566 30 10 IJEE CCOc1ccccc1OCc1nnc(S)n1/N=C/c1c(OC)ccc2ccccc12 1874567915 XVPINRDEWCNRNY-ZVHZXABRSA-N 434.521 4.589 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)c1 1874570883 NAELKAZUWFKCRL-YDZHTSKRSA-N 430.961 4.739 30 10 IJEE COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc([N+](=O)[O-])cc1 1874571617 XEKZQIHAACJWKZ-JLHYYAGUSA-N 434.404 4.987 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NCc3ccccc3)c2)cc1 1874595575 SMKVBOQSRQLEJH-OQLLNIDSSA-N 445.515 4.685 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)c1cnccn1 1874715641 YQGYCOIHQXXOMR-GQCTYLIASA-N 438.867 4.571 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3OC)c(OC)c2)c1 1875102201 ADWHGAGVQGZFTL-OUKQBFOZSA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2)cc1[N+](=O)[O-] 1875161820 JINSKZBGWBNPIM-ONNFQVAWSA-N 439.370 4.997 30 10 IJEE C=CCC1(NC[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924553307 CNIDDFYWEYSILC-LJQANCHMSA-N 439.641 4.719 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]1C1CC1 2018418074 LYCIQMVTYIFGBP-KKSFZXQISA-N 434.541 4.606 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2032368174 HRUNCBIUOZHRGL-IEBWSBKVSA-N 445.560 4.976 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)c(F)c1 2080077481 FQKQKOWIWDBVAT-CYBMUJFWSA-N 438.219 4.866 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CNc2cc(Br)c(C#N)cc2F)CC1 2105974179 JMMYRALXCFNHQL-UHFFFAOYSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CNc1ccc(C#N)c(Br)c1F 2139866036 KLKRJNJNNLBSJF-CQSZACIVSA-N 426.330 4.907 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)c(C)c1Br 2221904291 ITOKYWFBTNPFAF-CYBMUJFWSA-N 431.396 4.555 30 10 IJEE C=C([C@@H](NC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(F)(F)F 2229116228 LAEQJVIPXDLPCP-LSDHHAIUSA-N 437.300 4.591 30 10 IJEE N#Cc1ccsc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2241649993 GAEZQLKZSXVYEA-UHFFFAOYSA-N 431.517 4.877 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@H](NC(=O)OC(C)(C)C)C(C)C 2251935731 PICGQIUOQFPXTF-QPPBQGQZSA-N 435.561 4.559 30 10 IJEE CC1(C)OB(c2cccc(Oc3cc(F)c(Br)cc3Cl)n2)OC1(C)C 2266703858 UVLWQLBVIMRGPC-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCN[C@H](C(F)(F)F)C1 2294626423 OLOBJQOJHJRNJQ-YOEHRIQHSA-N 448.283 4.767 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C1CCC1 2296222469 RZTFXPBPNUWFGP-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](N)(C#Cc2cccc(Br)c2)CC12CCCC2 2296232493 ODLTYOXRBPMJGA-NRFANRHFSA-N 433.390 4.842 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C 2296289431 RONPHPPGECBKKX-AHRSYUTCSA-N 435.406 4.957 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC=CCC1 2296305243 QWZXIJIKQBPDBN-DFQSSKMNSA-N 433.390 4.638 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2296308318 GLKOTBKQUXQXHL-RTBURBONSA-N 435.406 4.814 30 10 IJEE O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)cc2)C1=C(O)c1ccccc1 2296767319 QDBQLIJELKVABC-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2297056460 FTXDFROJDUZKRH-HSZRJFAPSA-N 446.478 4.630 30 10 IJEE CCc1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2c2nnc(SC)s2)cc1 2297746191 MUMWHGALAYFGQK-OAHLLOKOSA-N 443.575 4.510 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2305402927 KAIDLQCINXETNM-UPUUWEMXSA-N 428.573 4.601 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c1 2322371997 XBMFWCBSVLZZSZ-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE C[C@@H](NC(=O)COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 2323046716 RNULJOMMQRQEOI-GOSISDBHSA-N 430.460 4.747 30 10 IJEE CCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1cc(Br)ccc1OC)C2=O 2324129934 MJLZPVDIZMPKHK-UHFFFAOYSA-N 446.341 4.930 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c1 2324825818 YHLBMXFIPHRIOC-KRWDZBQOSA-N 442.471 4.615 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccco1)C2=O 2325708824 KMANLQKLHRYDOI-UHFFFAOYSA-N 439.851 4.884 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)c(Br)c1 2326220524 LXNSPAHQRNFUDZ-UHFFFAOYSA-N 431.359 4.873 30 10 IJEE Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c(Br)c1 2326467571 XEFRINVTFAHTPD-UHFFFAOYSA-N 437.750 4.883 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(OC(C)C)c1 2326816684 QRNCYZHOOGVEDX-UHFFFAOYSA-N 425.514 4.710 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OC)c1 2327576060 XALPDBSUQYWQSM-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)OCC(C)C)nnc1[C@@H](C)c1ccccc1 2330136881 MDUAFJFDQXDBCG-KRWDZBQOSA-N 442.610 4.973 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccn2)c1 2330625457 NXTIPRHROGYXBB-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 2330785622 WWDHHTXIIWDBJV-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(C)cc2)cc1 2330911645 VNUWYGUGPOLKKE-OAQYLSRUSA-N 449.580 4.613 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccnc2)c1C 2331029975 KYPRQUIASGHDCL-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(CC(C)C)nnc2SC)cc1OC 2331417667 HYIQAVKOOUBJLW-UHFFFAOYSA-N 441.395 4.641 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2c[nH]c3ccccc23)o1 2331512914 OPQKLUCMVSIVIK-UHFFFAOYSA-N 435.509 4.581 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2F)c1 2331673279 CBTLGFQIDAQIKO-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CC(C)c1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccc2ccccc12 2331703615 BWFKKDDZQFRKAZ-UHFFFAOYSA-N 435.597 4.978 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2360944071 NZQMMJNNRFPNLL-CMKODMSKSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)C2 2370319688 HZXFCAAXMLCGFX-YUXAGFNASA-N 433.390 4.616 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2cccc(Cl)c2)N2CCc3ccccc3C2)n1 14160009 SUMABILMEDTIFD-UHFFFAOYSA-N 434.931 4.805 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)c(OC)c1 34955307 XFCHIAQDYGCQCS-UKTHLTGXSA-N 448.471 4.836 30 10 IJEE C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 36308479 XARZHEYZWPKPRX-HSZRJFAPSA-N 433.552 4.501 30 10 IJEE CCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(C)cc3)c2O)cc1 38624229 BAFJBROIMQMWLO-UHFFFAOYSA-N 444.531 4.891 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 39839983 DNYOYUUSXGXNGG-YKSBVNFPSA-N 445.515 4.699 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(C#N)cc1 95087386 BYZOYTVXJLBKMO-NRFANRHFSA-N 445.567 4.840 30 10 IJEE CCCCCCCn1c(CCNC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21 102143774 XYZOYJCPXUQBLP-UHFFFAOYSA-N 437.584 4.925 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 102547447 PKSBZBUTDFOLCF-FEYWKWKCSA-N 446.478 4.630 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 102911829 FALLUFXCCVFCIL-AGGMBTAESA-N 434.517 4.552 30 10 IJEE COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)cc1OCc1ccc(C)cc1 169906544 VXABQQMHEJDJHB-MFKUBSTISA-N 438.549 4.512 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccc(C)c2)c1 169970548 JARVZSQVDLCFGS-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccncc1 170018866 SRYBLSAWNUMRLU-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170036136 CPFDTVIRZAYGBM-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc3ccccc23)cc1 170046071 JBJAXPTUXUGSDR-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2)c1 170048249 UNZLVXQPGSWMDJ-XMMPIXPASA-N 443.499 4.872 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170092905 CKCDYGCZYZMGIS-IBGZPJMESA-N 437.835 4.503 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@@H]2c2ccco2)c1 170098895 GBPSIJZGCTXQAB-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)cc1C 170154417 BAFXFLFWWUTDDE-LJQANCHMSA-N 425.531 4.905 30 10 IJEE Cc1ccc(-c2nc(C3=C(N)N(CCc4cn(C)c5ccccc45)CC3=O)sc2C)cc1 170179213 UQNLDQPVXAMFAA-UHFFFAOYSA-N 442.588 4.673 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170208095 DMTGTLSWHRPESF-GOSISDBHSA-N 429.259 4.760 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccc2)s1 170229326 TVHZVYLQJCFHBP-SFHVURJKSA-N 426.444 4.821 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1c[nH]c2ccccc12 170254641 PTSRUHWPSFHFTG-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(O)c1 170259989 BVQUJMNOLWHQCB-GYCJOSAFSA-N 441.483 4.807 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)c(OC)c1 170271769 OIMGREUOZWMFEF-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)c1 170297193 CHJJRBNGZZHUSS-DEOSSOPVSA-N 443.499 5.000 30 10 IJEE CC1(C)OB(c2ccc(OCc3ccccc3)c(C(=O)OCc3ccccc3)c2)OC1(C)C 203575415 DEEKXRRBWXZXFJ-UHFFFAOYSA-N 444.336 4.922 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 303635332 PNEIGHYNZRSIGE-WBBHLRKXSA-N 432.545 4.908 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 433858393 NWDOUCAWCTZQKL-QGZVFWFLSA-N 440.548 4.720 30 10 IJEE COc1cc(C#N)cc(Cl)c1OCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 447699558 QAGAQQDGEQZSHJ-NRFANRHFSA-N 432.907 4.773 30 10 IJEE C=C[C@H](CC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 501217984 ZXHTVNQQQWLGKQ-DENIHFKCSA-N 428.536 4.728 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 508845761 PAZOWFXMWNVEEW-JOCHJYFZSA-N 439.648 4.596 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 519308254 XQGIXCGIBKCNBJ-UHFFFAOYSA-N 431.252 4.922 30 10 IJEE N#Cc1ccccc1-c1ccc(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)cc1 523984070 GUXXHBXVPDMGTO-HSZRJFAPSA-N 435.405 4.735 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(Sc3ccccc3)C2=O)c1 526661166 UYINPUPXOWBHOR-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1sccc1C 526831278 LVXYVFWDVONANS-NHDPSOOVSA-N 432.571 4.933 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C[C@@H](c2ccsc2)O1 549539610 QAOVCDXYYZXTGX-JPYJTQIMSA-N 441.560 4.893 30 10 IJEE CCOCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(C#N)CC1 559057252 HMTDNCGRVPGJDU-HXUWFJFHSA-N 425.577 4.592 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)NC3CCCCC3)C2)c1 585932565 IEBIDWKREGRDSE-JOCHJYFZSA-N 426.605 4.761 30 10 IJEE CCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 586247374 BYMNNGBVFZCDGV-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 642709336 KUJYBQGYERDRJQ-ZDUSSCGKSA-N 442.368 4.683 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)cc(Br)c1 698836841 DRZBKMDIZYFFPQ-AWEZNQCLSA-N 428.124 4.647 30 10 IJEE O=C1C(=Nc2cccc(Cl)c2)c2ccccc2N1CN1CCN(c2ccc(F)cc2)CC1 725387234 IRNPZQVGBJPISR-UHFFFAOYSA-N 448.929 4.726 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 735970152 WCDHBSSMRLVSER-KRWDZBQOSA-N 435.883 4.678 30 10 IJEE COc1ccc(CNC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)cc1C#N 746877739 MSDYABXUTLPDDQ-UHFFFAOYSA-N 432.332 4.856 30 10 IJEE FC(F)(F)c1cc(NN=C(C[C@H]2CCOC2)c2ccccc2)nc(-c2cccnc2)n1 753933370 XMFHDKCNDFFRJE-OAHLLOKOSA-N 427.430 4.800 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 779166292 ZDFSAACGJPZHJY-IBGZPJMESA-N 448.954 4.707 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1c(C)cc(C)cc1Cl 799223184 GJJXNJYQXMYBGJ-GOSISDBHSA-N 445.972 4.946 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 803519296 CXGCCYXZTMHLMP-SIKLNZKXSA-N 432.593 4.759 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC=C(c2ccccc2)C1 812175924 XVPNYHBNFYAAFZ-UHFFFAOYSA-N 443.551 4.574 30 10 IJEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1 1083902660 AFRWKWURTSSLQD-UHFFFAOYSA-N 428.484 4.778 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3Cl)n2)cc1Cl 1084012330 QZPXVJAJUYLPJZ-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE Cc1ccc(N=C2S[C@H](C(=O)Nc3cccc(Br)c3)CC(=O)N2C)cc1C 1084182263 ARTZLBADZWWULK-KRWDZBQOSA-N 446.370 4.656 30 10 IJEE COc1ccc(CN(C(=O)COc2cccc(Br)c2C#N)[C@H](C)C2CC2)cc1 1124756336 GOLZKBXOKZURBN-OAHLLOKOSA-N 443.341 4.535 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 1124935788 HYWIWLPOTXKXCS-UHFFFAOYSA-N 426.516 4.853 30 10 IJEE CCn1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C2CC2)n1 1124991043 DIQBPJBJIXLBGP-UHFFFAOYSA-N 445.470 4.970 30 10 IJEE CCc1sc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1Br 1128440123 GNKVYANEFBZJOG-UHFFFAOYSA-N 438.778 4.560 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1131106169 PIPZMIZBHVITEI-XUZZJYLKSA-N 440.609 4.832 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1136464863 YZWAEERRGDDNOE-KOSHJBKYSA-N 448.007 4.628 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(OCc2ccccc2)c1 1143429134 WHCYISZKZZTRCA-GOSISDBHSA-N 431.920 4.635 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 1149394199 DPICRVVFWFPYKY-QGZVFWFLSA-N 446.897 4.742 30 10 IJEE C=CCn1c(SCC[C@H]2Sc3ccccc3NC2=O)nc2sc(C)c(C)c2c1=O 1164583984 NCMCZLAIXYFMFV-MRXNPFEDSA-N 443.619 4.856 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1180194314 BNPCNTILJCLZTB-IBGZPJMESA-N 425.960 4.694 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3cccs3)C3(CO)CCC3)cc2)nc1 1199244756 GKHOHLBSLRFLNP-OAQYLSRUSA-N 434.521 4.832 30 10 IJEE N#Cc1ccnc(N2CCN(Cc3cc(F)ccc3Oc3ccc(F)cc3Cl)CC2)c1 1205184735 HGWCCYMDNCBLPF-UHFFFAOYSA-N 440.881 4.999 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2nccnc2c1Br)c1ccc(Cl)cc1F 1217664998 KYQZPGMOOPWQKZ-ZDUSSCGKSA-N 433.668 4.681 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3CCCc3ccccc3)C2=O)cc1 1234023161 FIJJBHWGLDLPQC-ZCYQVOJMSA-N 444.579 4.641 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Sc4ccc(OC)cc4)cc3)cc2C1=O 1264923665 MRZMYXAIQOBXGA-UHFFFAOYSA-N 444.512 4.881 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)cc1OC 1267959894 RIGWXDBEIIMKAZ-BENRWUELSA-N 442.537 4.813 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c(C#N)cn1CC 1276335747 AEZZOKBPEKVXKD-UHFFFAOYSA-N 438.871 4.649 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(OCC2CC2)nc1 1286278739 QEXWAYYGMJCRMI-WMZHIEFXSA-N 429.568 4.510 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1cccnc1OC1CCCC1 1286281126 HPKUTQWGINAANO-LJQANCHMSA-N 429.568 4.730 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCS1 1286281238 IDRPESVUINWASB-STQMWFEESA-N 425.421 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1286654026 HJRANQSSHRLFOG-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(C)CCCC)CC1 1286657000 YGUWBZJAVQYKIS-UHFFFAOYSA-N 432.012 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1286670477 GWKORCOLFCZZGE-KRWDZBQOSA-N 442.995 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@@H]2[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286677054 WOXGQAJXXKIUDA-RZIOSVHNSA-N 443.636 4.886 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cccc(F)c2[C@H]1C 1286677695 HZCCFORUVLFMIO-LZNRXBQRSA-N 442.579 4.867 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1286718581 OPKWJIFAGMPNEI-VGSWGCGISA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@](C)(CC)O1 1286741423 HABVXJRWQDEMOP-PLXFJCCSSA-N 449.599 4.584 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CCC(=O)N1CCCCC1 1286745023 RDJNJFSFPXRIPM-UHFFFAOYSA-N 449.624 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)CC(F)(F)F 1286753187 XAYIBFGECJUYGF-UHFFFAOYSA-N 435.538 4.915 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1286777847 LOFVRCPAEUSWAA-PMACEKPBSA-N 441.645 4.586 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCCC[C@@H](SC)C2)cc1 1286795683 DFTPTDJGKLZJII-HSZRJFAPSA-N 449.624 4.599 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnc(C)s1 1300341699 KJZKQXRABXXTLZ-INIZCTEOSA-N 427.549 4.762 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](COCC)C1 1300349551 UQWMOGXJPMVGNL-SFHVURJKSA-N 445.405 4.682 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(OC2CCCC2)CC1 1300421753 QMXCOWWULZOPKH-UHFFFAOYSA-N 436.600 4.815 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccsc1Br 1300431351 GANKAHBOBNXLLW-KRWDZBQOSA-N 429.387 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCCc1ccnc(C(C)(C)C)n1 1300616359 GLLZFNMMOJGTSE-UHFFFAOYSA-N 436.991 4.778 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=C(C)CC1 1300742546 MTRHQMSLHRHZRN-UHFFFAOYSA-N 431.403 4.539 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCC 1300790205 MNICSLQAUQYDRI-XUZZJYLKSA-N 426.008 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1OC)N1CCCC1 1300907741 QBAJHBFPZFWJBP-HSZRJFAPSA-N 446.599 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1CN1CCCCC1 1300912511 DHECLLLNQRHOEW-DEOSSOPVSA-N 437.632 4.956 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CC=CCC2)CC1 1301134174 DRUNIAUXPNSHCU-UHFFFAOYSA-N 449.643 4.953 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)C1)c1ccccc1 1301168888 VXMPYJGJGSJTMH-TZIWHRDSSA-N 449.624 4.866 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301197175 GKJSXBMANALAJA-KCZVDYSFSA-N 439.604 4.606 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1301225952 NRDPELHMRQBHHX-DEOSSOPVSA-N 438.616 4.698 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CCCS1)C1CC1 1301312941 SBGVCVHNPSAPNU-HSZRJFAPSA-N 425.602 4.588 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1301347079 ODKQOMUICMJSDL-GOSISDBHSA-N 425.577 4.604 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)C)n1Cc1cn2ccc(C)cc2n1 1301402550 NHIJIQLYXCCLAN-UHFFFAOYSA-N 428.584 4.716 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCCC1(C)C 1301412550 CZDDKTRZLFNRDT-MHZLTWQESA-N 448.611 4.947 30 10 IJEE CSc1cc(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@H](C)CC#N)ccn1 1302636108 GCLLCBSVNRCWDS-QGZVFWFLSA-N 443.580 4.705 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(OC(F)(F)F)cc2)o1 1304317963 CZNKKZGRORPLFB-NRFANRHFSA-N 445.445 4.924 30 10 IJEE C#CCCSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1Cl 1307259260 SIAVYARJJQYSAI-UHFFFAOYSA-N 433.758 4.976 30 10 IJEE C=CCN(CCc1ccccc1)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1307445000 QOTADXRMMFHXPN-QFIPXVFZSA-N 427.386 4.984 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)C1 1307871402 BDKSZCQUAGOEJB-MRXNPFEDSA-N 444.984 4.919 30 10 IJEE C#CCOc1cccc(Cl)c1CNCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1308490603 OCSBZPVEHTZYBP-HXUWFJFHSA-N 442.987 4.968 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2cnn(C3CCCC3)c2-c2ccccc2)C1 1308671206 FHBWKYPGDXKEEE-SIKLNZKXSA-N 435.572 4.514 30 10 IJEE C#CCN(C(=O)Nc1cccnc1-c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1310454097 UGIZKKTWTDTRED-UHFFFAOYSA-N 434.540 4.615 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C1CCCCC1)N(C)C 1311398011 WYMUGPWHTOLVOP-FQEVSTJZSA-N 440.401 4.796 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1312925489 IINUPRPBYOUYNI-DZFGPLHGSA-N 430.589 4.785 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 1352430517 QYIMOHZKIZGIPA-GOSISDBHSA-N 448.906 4.509 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C/c1csc(C(F)(F)F)c1 1356182687 OMFAPWVVKZQIMR-VOTSOKGWSA-N 426.412 4.909 30 10 IJEE C=CCCC[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 1358121479 WUNGBWMVBGYWMC-RPWUZVMVSA-N 426.988 4.970 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1358915061 QNMHPIVZFFRTIR-INIZCTEOSA-N 437.535 4.893 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1oc(CCC)nc1C 1359003400 JNYADWIZNVIDLL-INIZCTEOSA-N 437.613 4.888 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1Br 1359057895 LTPHYQVVNQAZGP-UHFFFAOYSA-N 435.435 4.632 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1359100656 DYNSCVGLFRTQOT-ZJSXRUAMSA-N 426.580 4.862 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1359119031 QOGDEWHFDUCOCV-LJQANCHMSA-N 443.345 4.763 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1359203572 RBWIUYZZEGFLBY-JTHBVZDNSA-N 442.579 4.618 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C)=C(Br)C1 1359212051 YMJQKIUHFFDUCE-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359226088 WCLOXTZSDYYDIB-RUZDIDTESA-N 437.588 4.661 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)nc1 1359261558 MWDJVDMGTHDGBP-UHFFFAOYSA-N 448.571 4.717 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCC[C@H]1C 1359268050 BNXVCQJGNHQJHB-GOSISDBHSA-N 444.421 4.679 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCC[C@H](C)C1 1359276592 JHBFUJUNRUSDIO-PMACEKPBSA-N 437.588 4.795 30 10 IJEE C#CCN(C(=O)c1nc(C(C)(C)C)cs1)[C@H]1CCOc2ccc(Br)cc21 1456452282 XPEJTKKUKMANAH-HNNXBMFYSA-N 433.371 4.802 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 1459025265 SAZLQOOBYSRKKC-UHFFFAOYSA-N 433.451 4.915 30 10 IJEE C=CCN(Cc1cc([N+](=O)[O-])ccc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1459956328 XUQUPTKQCPQOBR-HXUWFJFHSA-N 447.329 4.520 30 10 IJEE N#Cc1ccc(NC(=O)Cc2cc(Cl)ccc2Br)cc1Br 1459965958 HCOHQTBWNRWWME-UHFFFAOYSA-N 428.511 4.918 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)c1sccc1S(=O)(=O)C(F)F 1460035979 GSITXLWHCMUUBY-UHFFFAOYSA-N 449.456 4.765 30 10 IJEE C=CCn1cc(CNC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)nn1 1461057894 JINJMOBKXVAEIH-IBGZPJMESA-N 433.364 4.921 30 10 IJEE C#CCCN(CCOC)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1461785601 TYXQULHMGGUJPP-UHFFFAOYSA-N 437.337 4.776 30 10 IJEE C=C(C)[C@H](N[C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(F)c(F)c1 1462108743 BGGHUDHZPJGPKV-VSDWSMLSSA-N 430.495 4.598 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c1C#N 1464210691 CATAUMDMSNHRKH-HDICACEKSA-N 448.636 4.960 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC[C@H](C2OCCO2)C1 1466941251 BPOKTYIRSLRZEX-NSHDSACASA-N 444.347 4.593 30 10 IJEE C=CCC[C@H](NC(=O)N1CC(=O)N(C)c2ccccc2C1)c1ccc(C(F)(F)F)cc1 1469491449 NACIVZXPGJPAJB-IBGZPJMESA-N 431.458 4.901 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1469928229 ZUQGXOWEDRPETB-UXHICEINSA-N 432.564 4.976 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1F 1470666030 UZDOTOWMGUCYHU-LJQANCHMSA-N 439.840 4.704 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 1471225644 AGQRQVRNGWHJFV-UHFFFAOYSA-N 443.309 4.757 30 10 IJEE CCCCCCCCn1c(Sc2cc(=O)n(C)c(O)n2)nnc1-c1ccc(Cl)cc1 1472647006 OLHBHLLNCZZITD-UHFFFAOYSA-N 447.992 4.910 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1OC 1474193866 ZMYLBGRDRYCTNY-XJKSGUPXSA-N 438.284 4.612 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc2ccncc12 1474932279 GDGKLDYIYOCFQK-UHFFFAOYSA-N 431.492 4.950 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccc(C(F)(F)F)cc1 1478271338 AWQFEBPBHVXCHC-XUVXKRRUSA-N 440.506 4.722 30 10 IJEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1495451285 AUHLFOLYSDMZJD-HJPURHCSSA-N 438.482 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC1(COC)CCC1 1507525331 ZSVDEYXWXNQBGX-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1507576342 LGITXOSBRRKDDK-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1507580898 NNBVPMHHAFRSKU-UHFFFAOYSA-N 434.540 4.558 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCCC2)C1 1507595030 MDJPWDOIUKBSGR-UHFFFAOYSA-N 449.382 4.727 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1C(F)(F)C12CCC2 1507687828 QRMJPMQYYKWBHL-MRXNPFEDSA-N 435.316 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C)CCCC 1507763951 HZWUXLHWFLDGKR-BKMJKUGQSA-N 437.632 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1507769621 DNLVBMWIUAZWHN-BPUDTRNYSA-N 426.992 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC(C)C)C(C)C 1507798785 XECXEHNENCUTOP-REWPJTCUSA-N 442.604 4.814 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(OC)CCCCC2)CC1 1507905538 VUHCZBIROFDROP-UHFFFAOYSA-N 438.616 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1507910367 PDWVWDHKBMWURA-FQEVSTJZSA-N 439.604 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1507912877 LQQXVBSJJRENML-IBGZPJMESA-N 436.629 4.887 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1507934939 JNHJRQPKCDENST-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCc2cc(Br)ccc2C1 1507935148 NGAOWCOUVYPECY-IBGZPJMESA-N 445.405 4.854 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)CC[C@H]1C)C(C)C 1508014177 TXPLZWIZWNOQME-KIFXHHALSA-N 436.648 4.972 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1508049687 FMEKBTMFBMMLDJ-OAHLLOKOSA-N 437.357 4.817 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1508077071 KECGCYVOTQOCCM-NRFANRHFSA-N 447.583 4.788 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1508153586 NQYZIZUVTFUHMR-GCJKJVERSA-N 435.597 4.855 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)CCCN1C(=O)OC(C)(C)C 1518933649 PBYZEHYAOPGQFZ-XMMPIXPASA-N 446.519 4.513 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc(F)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1520048699 SNQIIAYTXHBGPP-LJQANCHMSA-N 428.298 4.839 30 10 IJEE C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1521996741 AWAFEXOKNUWEHP-BJOHPYRUSA-N 425.300 4.753 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)OCc2nc(Cc3ccc(F)cc3)no2)cc1 1523503824 ANOUCFHIYDWEDR-UHFFFAOYSA-N 443.434 4.607 30 10 IJEE Cc1c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cnn1-c1ccccc1F 1526174373 AAAPSDBRDNYYHO-AWEZNQCLSA-N 430.405 4.893 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccnc2F)ccc1Cl 1529876773 BTKSCLUVHNUHSA-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cn3c(Br)cnc3s2)C(F)(F)F)cc1 1532570282 PBHSVLKMEXSCMQ-CYBMUJFWSA-N 429.217 4.600 30 10 IJEE C#C[C@H](NC(=O)c1ncc(Br)cc1Br)c1ccc(Cl)cc1F 1535504284 ALIWDPBYTZXRSY-ZDUSSCGKSA-N 446.501 4.503 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(N(C)C)c(Cl)c1 1536695226 UKPYLISRHWTWJL-UHFFFAOYSA-N 426.717 4.531 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1539055912 LOTMISAMDQXUHH-UHFFFAOYSA-N 436.991 4.824 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nc(C(C)C)cs1 1539149260 WAKAILQITSLHRT-QGZVFWFLSA-N 439.585 4.514 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCCc1ccccc1 1539346522 FWTGVYLMUYSLLE-UHFFFAOYSA-N 426.362 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(CC)CC1CCC1 1539639554 ABQKYJKFNAGLOE-XXBNENTESA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1539684768 FGTPRIYDFGOGDK-GOSISDBHSA-N 428.577 4.787 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCc2nc(C)cs2)CC1 1539840291 QUHQUYGLEWHTRL-UHFFFAOYSA-N 428.993 4.938 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCC2(COC)CCCC2)CC1 1539859365 MTQKKMVKLBQJFU-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C)=C(Br)C1 1540005155 JWMXAKZMYQJOJY-IBGZPJMESA-N 445.361 4.636 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1540915396 KZLCAVFRJJCLJN-UXHICEINSA-N 449.020 4.670 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2c(c1)N[C@@H](C)CC(=O)N2 1546331949 AXEBJMYRXNYGAZ-KRWDZBQOSA-N 440.503 4.841 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(Br)cnc1Br 1556214966 KMLFTBWLKSPOFF-UHFFFAOYSA-N 440.135 4.757 30 10 IJEE C#Cc1ccc(C(=O)N(Cc2ccccc2OCC=C)c2ccc3c(c2)OCCO3)cc1 1565655948 ICOOGGRUMBEEGY-UHFFFAOYSA-N 425.484 4.851 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 1570552497 IDAUATAWLUQDTH-KSSFIOAISA-N 439.478 4.639 30 10 IJEE C=CCN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)C1CC1 1583656665 CTHSPRVBJPZMEE-UHFFFAOYSA-N 446.572 4.873 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1ccc(Cl)cc1 1584690082 QGDQZMQLAAVRRJ-INIZCTEOSA-N 441.550 4.898 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cccc(F)c1 1587587049 WVSDGONTCGWACX-SJORKVTESA-N 438.572 4.807 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)c1ncc(C)s1 1587678523 TZWNIIBVOSCBIZ-HZPDHXFCSA-N 441.626 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CC2(CCOCC2)C1 1588198248 MBNAETDCWBRAMN-UHFFFAOYSA-N 444.623 4.912 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1589742001 CHPZEUXESAJRNZ-LJQANCHMSA-N 441.377 4.667 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1593712029 PQBYEOMRSUNMHQ-NRFANRHFSA-N 448.615 4.563 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1593747143 RECQCMWBQYIDGE-FQEVSTJZSA-N 442.604 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccsc1 1594460920 GLVUWMQFRQMMEA-UHFFFAOYSA-N 444.626 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(c2ccccc2CO)CC1 1594477394 CQUFLGQZDZWLTL-UHFFFAOYSA-N 431.584 4.819 30 10 IJEE C=C[C@H](C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)c1ccccc1 1617479436 VCUGEFTYZCLFCS-HNNXBMFYSA-N 427.291 4.944 30 10 IJEE CC#CCNC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1624247836 TWWMNTCGFCEIAZ-SANMLTNESA-N 438.527 4.796 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 1628397074 UGKLBQRJGUNGGY-IAGOWNOFSA-N 426.344 4.924 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)cc1C#N 1631137081 BSDCQLLWYKPUEY-UHFFFAOYSA-N 443.435 4.857 30 10 IJEE C#CCN(C(=O)CCCOc1ccc(C)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1634818019 MBGXJYPENRPTNB-UHFFFAOYSA-N 448.991 4.669 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2cc(F)ccc2Oc2cccc(Cl)c2)C1 1638397695 LMWGYBVCSMVBHR-FQEVSTJZSA-N 429.923 4.510 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(F)c(Cl)c2)nc2sc3c(c2c1=O)CCC3 1651629118 CAAIBPLQLKPZLM-UHFFFAOYSA-N 434.945 4.900 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1 1653985145 ISPPEHLPTPPTCX-UHFFFAOYSA-N 426.519 4.596 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1660906587 VUHRMWBMNFTMSN-NRFANRHFSA-N 426.442 4.573 30 10 IJEE C#CCC1(NC(=O)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)CCC1 1665560150 LPYAJOMPPIFDBK-UHFFFAOYSA-N 433.552 4.538 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)cc1 1665969950 UPGZJVCSCMKHST-LEWJYISDSA-N 441.597 4.731 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(Sc2ccccc2)ns1)c1ccc(Br)cc1 1669220993 LPXRBNFFUVBLEC-OAHLLOKOSA-N 445.367 4.948 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 1671797461 AZAXIMYOWRRAIT-YCZSINBZSA-N 449.599 4.835 30 10 IJEE C#CCN(C(=O)Nc1ccc(Cl)c(SC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1672802622 WXCLPHPPCQUPTK-UHFFFAOYSA-N 437.993 4.929 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC2CCC2)c2ccccc2)cc1 1673392885 IWUVWWVITGKYKI-JOCHJYFZSA-N 427.570 4.546 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(F)c(Br)cc2C1)c1ccc(Cl)cc1F 1674035537 BSERKNBQROROAQ-SFHVURJKSA-N 439.687 4.823 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(Cc4ccc(C)nc4)C[C@@H]3[C@@H](C)CC)cc2n1 1675013072 QLZUJAKXOFPFTA-UQBPGWFLSA-N 446.599 4.690 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1)c1ccc(Cl)cc1F 1678963850 AXISRJHDERPRQF-ORAYPTAESA-N 426.879 4.826 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1679561040 VGTLBAXKKMXSPW-HXUWFJFHSA-N 448.350 4.505 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1 1686917305 JKSCSAMAVHUZJU-BDYUSTAISA-N 428.507 4.546 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1 1687503466 VETWWBFUNBQCQQ-MRXNPFEDSA-N 435.615 4.902 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1689879856 JJXBHXSRNOCUQX-ISKFKSNPSA-N 444.627 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccc(C)cc1 1690006679 WWNPGHUEYUSUFF-HXUWFJFHSA-N 444.604 4.592 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1 1690037060 KRGZTFFFDUAEPC-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@@H]1CCOC1 1690059760 XITBBPWQSRZKRB-RBUKOAKNSA-N 430.980 4.574 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H](C)c1ccco1 1690156477 XKIOLPDPXBKJEN-DLBZAZTESA-N 428.533 4.714 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccco1 1690226505 BBSNBVAJWSNJIV-UHFFFAOYSA-N 440.301 4.738 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1690319064 BSJWBFROORGTIT-OAQYLSRUSA-N 442.560 4.992 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1690404442 DKDBRLKDFWLDFT-LJQANCHMSA-N 443.020 4.760 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690465127 SJAYGFCCCXVUOE-IBGZPJMESA-N 433.641 4.916 30 10 IJEE CC(C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](c1cccs1)N1CCCC1 1691658493 DHBKEWYICIYCKJ-OAQYLSRUSA-N 434.613 4.808 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1Cc1nc(C(C)(C)C)cs1 1692660590 DDQIIWAZFJXDKZ-KRWDZBQOSA-N 447.612 4.822 30 10 IJEE CCC1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)CC1 1694485699 FFHLOJQQGYADKC-FQEVSTJZSA-N 438.334 4.796 30 10 IJEE C#CCSCCn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCCCO1 1705665031 IICBTDOTFZJIGW-UXPWSPDFSA-N 449.020 4.728 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C)=C(C)C1 1705708592 DYRCALVPHNRUCR-AUSIDOKSSA-N 426.536 4.524 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1)c1ccccc1 1705796278 BZSJMMZRCNVKAP-GOTSBHOMSA-N 435.616 4.791 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@@]1(C)OCCc2sccc21 1705799492 YIJHFQFTJKOADW-FDDCHVKYSA-N 430.618 4.514 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1705806509 GGARHAKKFAAWBP-DNQXCXABSA-N 437.632 4.977 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1705809072 HGIRUXPCGZBUDC-HXUWFJFHSA-N 441.645 4.610 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(C)C)nc1 1705862591 PKFDBBJZQDLHJX-UHFFFAOYSA-N 446.530 4.688 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1csc([C@@H](C)OC)n1 1705872345 UFAXVZJFCXFYJD-QGZVFWFLSA-N 448.596 4.827 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 1705886644 BPEXGNMASMWVSB-SFHVURJKSA-N 429.996 4.712 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(COC(C)(C)C)c2)C1 1705917497 WYTPPMQRAZDMFO-NRFANRHFSA-N 426.605 4.720 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705942717 BFLVWDUQQIIFJM-GOSISDBHSA-N 442.658 4.660 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1705950122 SBBYYENTBSGBBZ-OAQYLSRUSA-N 426.630 4.915 30 10 IJEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCO[C@H]1CCCC[C@H]1C 1710670680 HRRQPUSKDSOSQL-YKSBVNFPSA-N 449.599 4.575 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CCOC)CCCCC1 1722280709 XYFFACMDVRRWAB-GOSISDBHSA-N 446.542 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722287112 MUHPLFVEORVEFR-JYJNAYRXSA-N 436.478 4.714 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(CCC#N)CCC(C)C 1722328079 LPIKNBQVZBHASM-UHFFFAOYSA-N 434.407 4.949 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1722539498 ROONADAZEYNGKN-UHFFFAOYSA-N 436.991 4.674 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCCOC)CC1 1722545181 WMRBBZOXCXDMOY-UHFFFAOYSA-N 432.996 4.627 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1722581824 FIFLQMBBCYZKBQ-JOCHJYFZSA-N 435.547 4.663 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1722590466 FEUYCLNTFVMZMF-RXVVDRJESA-N 440.588 4.743 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1722615999 GORPCXIGBXLFOU-UHFFFAOYSA-N 445.011 4.736 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722684278 GEWVYDULWWYZCH-IBGZPJMESA-N 428.577 4.711 30 10 IJEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1nc2ccccc2s1 1740801702 FQMQQQNOCYHUDR-RDJZCZTQSA-N 447.992 4.706 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740843988 AUDOYENECNWGNL-UHFFFAOYSA-N 444.023 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOCC2(CCC2)C1 1740846721 JHXXUSLRKHGGTQ-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1740849357 GWBFHPHYBTYBNA-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1740861287 ICBCHIQTOMLTLW-QGZVFWFLSA-N 429.977 4.989 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1740877208 URBZWAQUFCMPCC-UHFFFAOYSA-N 435.576 4.662 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC12CCC(CC1)C2 1740939497 YCZKMUZHKYBVSK-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CCCCC2)C1 1740974354 LLKKYZUFUFCLEF-FQEVSTJZSA-N 432.515 4.908 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)C1 1747275445 HDFVMKGFDASBBY-LJQANCHMSA-N 429.515 4.505 30 10 IJEE C#CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCn1cccn1 1748702025 WQPDENQGTDIILM-UHFFFAOYSA-N 438.988 4.950 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)CC(C)(C)C1 1749046599 CFNCUOIYUWWDRA-LJQANCHMSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCOCC(C)C 1749078951 VGAMGXKCWLVIEC-HSZRJFAPSA-N 430.980 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCC(OC)CC1 1749147630 LPFCTIDQMYQBTI-UHFFFAOYSA-N 434.588 4.943 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCc2cc(Br)ccc2C1 1749198951 YFOFXYMGZGQRNJ-UHFFFAOYSA-N 429.387 4.832 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](CC)O[C@H](C)C1 1749256937 GQVBIIOAHWYHDS-MSOLQXFVSA-N 442.947 4.873 30 10 IJEE C=C(Cl)Cn1c(N(C)C2CCC(C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749281515 FKWQTZAVWCGPMD-JGAFYBCUSA-N 438.016 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749370538 KBLFROFITSQSLF-NRFANRHFSA-N 435.572 4.947 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCC1)c1ccccc1 1749383518 YWQDHHABGZMKLZ-OAQYLSRUSA-N 430.556 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1c(C)nn(C)c1C 1749564257 SENDNTIADQLAGS-UHFFFAOYSA-N 436.629 4.853 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C(C)C)C1 1749692925 DBGFIZONNYFBKW-OAQYLSRUSA-N 439.604 4.611 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@@H](C)c1ccccc1 1760125505 QOIURYIWVKSRDJ-IRMYBRCSSA-N 438.616 4.823 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@](C)(OC)C1 1760146657 RSBISVIZCOTFKE-XMMPIXPASA-N 435.597 4.796 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1760162703 DXCMLJPKNFOEQK-IEBWSBKVSA-N 430.980 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OCC)cc1 1760197512 ZBTPZJYISLEEGJ-UHFFFAOYSA-N 444.604 4.795 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1760276038 RFCRNYRIGWKEAB-KRWDZBQOSA-N 447.446 4.946 30 10 IJEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1760283597 SVRRRTDETSLIFY-NRFANRHFSA-N 438.641 4.597 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(CC)s1 1760297526 XRESBCBBEYVXLG-RUZDIDTESA-N 434.609 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(C)C)C1 1760326492 WSOQGHGXVZKELT-SLSDLSHTSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CCc1cnn(-c2ccccc2)c1 1760339735 UNDFQIZUOQDKNY-UHFFFAOYSA-N 432.597 4.761 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(C)C)CC1 1760341601 LPDRQHOZWLULTP-LJQANCHMSA-N 432.012 4.795 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2oc(CC)nc2C)CC1 1760398243 QQKZQJPHVHNUPC-UHFFFAOYSA-N 443.498 4.856 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1nccs1)c1ccccc1 1760418692 WSSLFGBFBWRLGJ-HXUWFJFHSA-N 430.581 4.835 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760423478 AXACRIRKYDIBLV-OAQYLSRUSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](OC)C1 1760446739 BCPUXWWYDNFPCT-HSZRJFAPSA-N 449.599 4.561 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCN1CC)C1CC1 1760475781 UMZCIBDEGUSOEL-OAQYLSRUSA-N 425.646 4.908 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760532199 NWTNIKABBOQSRF-QFIPXVFZSA-N 434.588 4.669 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(c2ccsc2)CC1 1760567067 OIBSNIWZAJITSH-UHFFFAOYSA-N 425.627 4.629 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)CCCS2)cc1 1761863767 CQQNUCHGJBVSEP-QFIPXVFZSA-N 427.643 4.905 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(CC)C1)OC 1762149377 AFVHTTNKHDGMLQ-WIOPSUGQSA-N 439.604 4.663 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2nc(C(C)(C)C)cs2)cc1 1769983164 GDNGERGFPKXMTC-INIZCTEOSA-N 438.601 4.546 30 10 IJEE COc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2F)c1 1859405623 LCVHCNCMLANMJO-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE CC(=O)c1c(C)oc(NC(=O)c2cnc3c(c2)c(C)nn3-c2ccc(Cl)cc2)c1C#N 1859748347 LIFNZZUKABXMTM-UHFFFAOYSA-N 433.855 4.610 30 10 IJEE C=CCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(-c3cccc(OC(C)C)c3)[nH]c2c1 1861407018 MCHDBYHSYRDURO-JOCHJYFZSA-N 448.567 4.608 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862422957 RMBROTKNSCDEFB-QGZVFWFLSA-N 436.798 4.513 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCN(CC)CC)cc1 1862431854 PWAHHGRBAABWDX-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862487425 AIRHXFHVSPMXJL-LJQANCHMSA-N 428.872 4.791 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862531634 RCEMQPMUYUCWSU-XMMPIXPASA-N 443.499 4.742 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Br 1862681294 XCRLBASXAZOIQT-KPZWWZAWSA-N 432.289 4.965 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862710059 MJPBCLXFLLYSHI-LJQANCHMSA-N 444.871 4.635 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 1862747631 UCOAJVKVRFRBPX-JOCHJYFZSA-N 448.475 4.769 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(Cl)c2)=C(c2ccccc2F)C1=O 1863303960 QVSOAWVYNDUHJX-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(Cc2cccnc2)C1=O 1863563415 SXRCPNBWUVZQBW-UHFFFAOYSA-N 435.568 4.711 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1865978262 ZNQHBSIQNKYZDD-HXUWFJFHSA-N 447.535 4.683 30 10 IJEE C=CCN(CC=C)c1cc(N(CC(=O)OCC)Cc2ccccc2)nc(-c2ccccc2)n1 1867970503 VYRZAEYRKNNIPP-UHFFFAOYSA-N 442.563 4.892 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1 1868680650 MVZMZLGMDTXQKD-GOTSBHOMSA-N 428.642 4.626 30 10 IJEE CCCOc1cn(CCCCCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181008 HWBCPODNTSJSTB-UHFFFAOYSA-N 443.613 4.674 30 10 IJEE CCCCCCCCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN(CC)CC 1870576456 BVVAWTWMRFQDCT-UHFFFAOYSA-N 449.665 4.674 30 10 IJEE C#CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CNc2ccccc2)cc1=O 1871007790 SDTVTGXQBXMMCD-UHFFFAOYSA-N 446.547 4.513 30 10 IJEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871390917 PAIUPQSQHDRZJV-XKZIYDEJSA-N 443.455 4.787 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871415096 VGBVVBSVZMPQIM-HAHDFKILSA-N 447.443 4.986 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)o1 1871435942 HKGMSAUHWJFZIN-VBHHZLGVSA-N 428.444 4.790 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871449391 VUKBQXLLSOHSPN-VUZLNAKASA-N 446.459 4.569 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871846770 JMJUWBDPTNTJGP-CYBMUJFWSA-N 445.343 4.727 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)CCCC 1871898886 DFZOMPRGLMJLDQ-QHCPKHFHSA-N 428.598 4.991 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872250480 XYUQLGZLCBXMLE-NRFANRHFSA-N 446.638 4.549 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872277123 HLRBSLUJAMKFIX-OAQYLSRUSA-N 448.588 4.871 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872525041 UZEUGSZRAMQKKC-WZONZLPQSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872556041 VYXLHHNKMTYBKZ-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE N#C[C@H](C(=O)c1ccccc1Br)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759262 IPVNHOVKVZFTAV-CQSZACIVSA-N 428.267 4.971 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccccc3)n2)c2ccccc12 1872789028 WUDQJNVPFYIPLS-FQEVSTJZSA-N 441.512 4.578 30 10 IJEE C=CCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 1873119772 NCZJWXRGWRILLS-UHFFFAOYSA-N 428.454 4.686 30 10 IJEE CC(=O)c1ccc(-c2ccc(/C=N/Nc3cnn(-c4ccccc4)c(=O)c3Cl)o2)cc1 1873498508 RMPMUSGHGPSTKS-DHRITJCHSA-N 432.867 4.795 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCCCCC)n2CCCOC 1873588419 BIVBOHDUIARZFM-UHFFFAOYSA-N 441.620 4.737 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657867 RTIUUACYELXKDN-MRXNPFEDSA-N 448.527 4.577 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(NC(=O)CC)cc3)c(=O)oc2c1 1873949766 WGQFULFEXNRELP-UHFFFAOYSA-N 434.492 4.586 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccccc1F 1874221760 CFFQMEYSONCBBK-LFVJCYFKSA-N 428.533 4.822 30 10 IJEE COc1ccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)c(OC)c1 1874242451 HHZRKEAQQKKHGZ-ZVHZXABRSA-N 426.586 4.658 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccccc1Cl 1874382470 QZNMINIRVHQIAC-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccco2)cc1 1874466276 VYEFSPIVCYITJA-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874475010 FFRARIHCCPHTHW-MFKUBSTISA-N 432.553 4.715 30 10 IJEE COCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(Br)cc1 1874501371 DSXSWYYMORWAFH-SSDVNMTOSA-N 445.386 4.978 30 10 IJEE Oc1ccc2cc(Br)ccc2c1/C=N/n1c(S)nnc1-c1ccccc1 1874558941 JEMZGAPOZAJDGC-SRZZPIQSSA-N 425.311 4.737 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCC(=O)NCCC 1874619846 WEIKAFDPFBUMMT-ZHACJKMWSA-N 437.536 4.542 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 1874727692 XSMLKGUBNUNOMA-UHFFFAOYSA-N 427.888 4.747 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc2c(c1)OCO2 1875149954 PXSKOUSEYQPBFX-DAFODLJHSA-N 443.171 4.542 30 10 IJEE C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 1903861702 ALTRINCJVPIQNK-XOUWUJFKSA-N 428.613 4.605 30 10 IJEE C=CC[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1I 1969553871 UYODBGDYCRHCGM-IINYFYTJSA-N 434.115 4.528 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 2020331956 JCYVQMVRLJZPNZ-AQNXPRMDSA-N 437.625 4.615 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)C2(CC2)C1 2042191271 WIJXGOBRKBOJDO-AREMUKBSSA-N 440.632 4.656 30 10 IJEE C#CCN[C@H](C(=O)OCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356519 PCKLDFZJGKCLNF-SANMLTNESA-N 429.516 4.672 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(Br)cnc2C#N)CC12CCCCC2 2167614290 RWUVTUVJZXLAPY-OAHLLOKOSA-N 435.366 4.840 30 10 IJEE CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cnc1C#N 2174709825 KFUQJDDFGOOFNQ-INIZCTEOSA-N 437.382 4.720 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N[C@H](C#N)c2ccccc2)c1 2181047094 SLTMNXMEUHFRNH-QGZVFWFLSA-N 430.302 4.791 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181053573 NAHJNVLZUGQONW-KGLIPLIRSA-N 436.350 4.590 30 10 IJEE C=CCC(C)(C)OC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229125195 CFEYBBJNRCNJPP-INIZCTEOSA-N 426.351 4.783 30 10 IJEE N#Cc1cc(NC(=O)Nc2ccc(I)cc2)ccc1Br 2235460851 DQAGVQDOQBHLNK-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE CN(Cc1ccc(I)cc1)c1cc(Br)cc(C#N)c1 2265595456 VKZFOYLOQVMCHD-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)c2C1 2267093365 TUPMSYHLWUNREJ-UHFFFAOYSA-N 442.365 4.748 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3cccc(Cl)c3Br)C2)OC1(C)C 2267985234 VUVZXAVVFITERC-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE N#Cc1c(F)cc(Br)cc1NCCc1cccc(I)c1 2289573411 HRMPCMQAPBWZCW-UHFFFAOYSA-N 445.073 4.719 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2cccc(Br)c2)c2ccccc21 2296222370 RDXSTIFTXHBVBK-GOSISDBHSA-N 426.310 4.909 30 10 IJEE COc1ccc([C@H](O)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1 2296282505 XPAAZIRZZBMSAT-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(OC)cc1)C2=O)c1ccccc1 2296867575 YFUMDNDXHJZYNE-VWLOTQADSA-N 430.456 4.995 30 10 IJEE COc1cc(C=C2SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc(OC)c1O 2314543159 WYEOCGPMUBLQQP-UHFFFAOYSA-N 445.566 4.803 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322145697 YDMLKOLHFPWUHF-UHFFFAOYSA-N 444.325 4.644 30 10 IJEE COc1cc(C=Nn2c(S)nnc2-c2ccccc2)cc(Br)c1OC(C)C 2323517583 GZAOEYOJNQPHAW-UHFFFAOYSA-N 447.358 4.674 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C=Cc1ccc(OC)cc1OC 2323537026 SNQIIHANEUACDJ-UHFFFAOYSA-N 432.605 4.869 30 10 IJEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(OC)c1 2324451501 SNUXTABAWKOJOP-SFHVURJKSA-N 435.461 4.625 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325684092 IXEGDCMABZLYEF-UHFFFAOYSA-N 432.388 4.547 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(OCC(C)C)c1 2326810181 GDFILKGJCSAOFR-UHFFFAOYSA-N 425.514 4.704 30 10 IJEE Oc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2329175523 AETIYKGOLREHLI-UHFFFAOYSA-N 448.523 4.919 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c(OC)c2)cc1 2330989928 XSEUPFHUWJTUAE-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE O=C(Cc1ccccc1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331030276 UNMPISUAJFDSPC-UHFFFAOYSA-N 432.388 4.547 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)c1OC 2331112638 JNMGMKUHCLJRIN-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)COC 2331286730 DYYISQHVTGGJML-UHFFFAOYSA-N 433.298 4.604 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(C)=O)c(OC)c2)c(C)c1C 2331630012 SVVRFQWDAZRNEY-UHFFFAOYSA-N 433.298 4.905 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2OC(C)C)c1 2331728820 LVFLEOVBQAMNHL-UHFFFAOYSA-N 449.580 4.864 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587899 AKFQUUONQCVICC-GOSISDBHSA-N 444.381 4.751 30 10 IJEE CCN(CC)CCN(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2343689262 WTCBQMSFSOAEDS-UHFFFAOYSA-N 436.449 4.638 30 10 IJEE CC1(C)OB(c2cc(Oc3cccc(Br)c3Cl)ncc2F)OC1(C)C 2345689369 DEGYJOJHWNILEA-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@H](N)C#Cc1ccc(Br)cc1 2363392575 YXHYKSXZZBOWOE-RTBURBONSA-N 435.406 4.944 30 10 IJEE Cc1cc(OCc2ccc(I)c(Br)c2)c(C#N)c(C)n1 2377635000 RNONSPYMSKIUBS-UHFFFAOYSA-N 443.082 4.516 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/C2=Cc4ccccc4OC2)C3=O)cc1 2126792 LKDVIXBLMGSAPX-DHRITJCHSA-N 440.451 4.987 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(C)c(C)c2)N2CCc3ccccc3C2)n1 14159920 XDOJXZLNKLBHEH-UHFFFAOYSA-N 444.608 4.933 30 10 IJEE O=C(/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccccc1 24522071 NBFICYHFIYDBMG-HNEFAFEWSA-N 427.529 4.841 30 10 IJEE CC(=O)Nc1ccc(C(=O)/N=C(/NCc2ccncc2)Nc2ccc(C(C)C)cc2)cc1 45939749 KEUXKXYEXXEINQ-UHFFFAOYSA-N 429.524 4.562 30 10 IJEE C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 64656522 IBWRBPUNPWKMDL-KRWDZBQOSA-N 425.531 4.620 30 10 IJEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1 102517094 UJTLHHGZQRSTDU-MYXKAAJQSA-N 440.499 4.577 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 102934002 SAOPYPWRLFJESF-XGICHPGQSA-N 448.471 4.836 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(C)c1 169906547 PREGIFMASHOVBI-ZVHZXABRSA-N 428.941 4.848 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(OC)cc2)cc1 169921384 PBNZVHWAHZBELH-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)c1 170072468 BTAZWINFFWGXFR-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2C)cc1 170088888 SUFMERVIAZAIGK-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(C)o2)c1 170103142 CXHQRMNFJADTMV-NRFANRHFSA-N 443.459 4.646 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)c(OCC)c1 170148920 XWAIEOHNFPYWRC-NRFANRHFSA-N 427.472 4.617 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccn2)cc1 170170945 ZLPLERUEDFWFRH-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccn1 170174595 HJZQXEVZGURHMB-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)cc1C 170183331 BMSPSSXLNWSCCO-OAQYLSRUSA-N 434.517 4.547 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1 170204163 ICWYIXAWFJPCSM-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccc(OCC)c1 170218514 NMBJLOWBCRIYRY-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@@H]3c3ccco3)ccc2O1 170296219 VOTPCEKBSAMYEU-JLCFBVMHSA-N 433.435 4.521 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1ccccn1 170316712 QREPKIZSPHXKHQ-BTYIYWSLSA-N 446.528 4.553 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccn2)cc1 170413615 CHOZETVWQZRNAJ-QFIPXVFZSA-N 447.560 4.768 30 10 IJEE COc1ccc(CCNC(=O)/C=C\c2cn(CCC#N)c3ccccc23)cc1OC(F)F 206833663 FNEXZSMRABXWBM-NTMALXAHSA-N 439.462 4.537 30 10 IJEE Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 439530941 UXVVDGMSXRETBN-JOCHJYFZSA-N 433.487 4.769 30 10 IJEE C=CCN(c1nnc(COc2ccccc2-c2ccccc2)n1C[C@@H]1CCCO1)C1CC1 461064951 KXTWJCCLXCLSKS-QFIPXVFZSA-N 430.552 4.858 30 10 IJEE C=CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1cccc(OC)c1 488882750 VIJQTINIZFPKGW-UHFFFAOYSA-N 439.566 4.976 30 10 IJEE N#C[C@@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(Br)cc1 499407824 MUHAGAVWFBXGNR-GOSISDBHSA-N 439.313 4.614 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 503067974 VRSCHBDWMUOSEY-JOCHJYFZSA-N 425.441 4.587 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccc2C(=O)O)c1 526607386 VSRXIOKSOFJJAV-HSZRJFAPSA-N 440.455 4.712 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 586507810 PNBIZMULRCLGSZ-CAOOACKPSA-N 441.593 4.965 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1ccc(I)cc1 698855411 NZQLMDLDFBTCIO-LBPRGKRZSA-N 440.203 4.655 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(F)(F)F 708544152 LAEQJVIPXDLPCP-CABCVRRESA-N 437.300 4.591 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 733200652 GZFWIPBUFRVUGA-JOCHJYFZSA-N 427.529 4.823 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)c2)s1 742078219 BULRELJCRHVHDR-FQEVSTJZSA-N 435.936 4.609 30 10 IJEE CN(CC(C)(C)C)C(=O)c1cccc(C(=O)OCc2cc(Cl)ccc2OCC#N)c1 745184679 KLDIHSRDEHWOAA-UHFFFAOYSA-N 428.916 4.717 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)n(C2CCCC2)c1C 745228428 HGSNSDLLUGOVGD-MJGOQNOKSA-N 441.478 4.655 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN(C)Cc2csc([C@H](C)OCC)n2)c1=S 765034430 BMTCVEOHASZTFA-AWEZNQCLSA-N 435.644 4.972 30 10 IJEE COc1ccc(C2(C(=O)OCc3cc(Cl)ccc3OCC#N)CCCC2)cc1OC 777215533 DBCLQHYIPJUZGP-UHFFFAOYSA-N 429.900 4.815 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccc(Cl)cc1 810472979 AOUKZACOCRFGJE-SFHVURJKSA-N 440.286 4.610 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 849524297 HJFRKSOAIGOONE-LOSJGSFVSA-N 446.620 4.510 30 10 IJEE C=COCCSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2Cl)n1 1084620419 YFWVBSDPZOORHA-UHFFFAOYSA-N 429.933 4.735 30 10 IJEE C=CC[C@H](OC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)c1ccc(Cl)c(Cl)c1 1128330739 RVHMCXTYTRXCTQ-INIZCTEOSA-N 433.251 4.957 30 10 IJEE C=CCOc1cccc(NC(=O)C2CC3(C2)C[C@H](NC(=O)OC(C)(C)C)CCS3)c1 1136389400 YFGIPLZXYOWKNZ-BISSLNBESA-N 432.586 4.759 30 10 IJEE C=CCN(CCc1ccco1)C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1152612351 MJEGBQFBRNTTPM-LJQANCHMSA-N 444.531 4.764 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nccn1-c1cc(C)cc(C)c1)c1ccccc1 1180150403 DQCJOGGQYXJNKD-GDLZYMKVSA-N 425.579 4.821 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)c1ccccc1 1194197273 DHIYXGPQORRDGJ-HNNXBMFYSA-N 429.767 4.873 30 10 IJEE CCN(CCOc1ccccc1C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1195322908 HMNUUOSDYMQVPG-UHFFFAOYSA-N 430.552 4.614 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 1201828400 GEXYTUXGZXGATO-PZJWPPBQSA-N 438.503 4.530 30 10 IJEE Cc1cccc([C@H](O)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 1215105718 ADPQFGRGZNMVRE-JOCHJYFZSA-N 435.911 4.954 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 1221525970 UJNUGGUMPCYMGB-XMMPIXPASA-N 432.495 4.630 30 10 IJEE C#C[C@H](NC(=O)N1CCc2ccc(Br)cc2C1)c1ccc(Br)cc1 1230498663 HKXOMWAGPIFFDF-SFHVURJKSA-N 448.158 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(OCC)CCCC1 1286279496 VPBIHCOHRREIAX-QZTJIDSGSA-N 430.980 4.879 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCSc1nccs1 1286366131 UWYOAXOJHVPGKG-OAHLLOKOSA-N 443.667 4.840 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1286507435 AEDVGVSVTCEBJJ-UHFFFAOYSA-N 438.641 4.770 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1cc(Br)cs1 1286547266 NSUCSYORYNRNHU-WMLDXEAASA-N 439.423 4.843 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1c(C)noc1C 1286551188 GTAPKKFCRWHJAV-WIYYLYMNSA-N 441.963 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=CCC1 1286552898 SMQOTBIEXIRQNX-ICSRJNTNSA-N 443.389 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1286560821 JCQWVLCWWFYNHI-VAWZGJIGSA-N 442.579 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286669113 YWLVSYZHPUSEPK-QAPCUYQASA-N 438.494 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1286673761 YJDUIVBHCXJBRB-QFIPXVFZSA-N 444.627 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](CC)C1 1286676028 VGMWRVHDNTYDNR-HXUWFJFHSA-N 425.602 4.663 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnn(C)c1C 1286682489 PLEXJJUXHNRVOT-UHFFFAOYSA-N 428.968 4.642 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286694471 ULRZEFBUWQSSFG-FQEVSTJZSA-N 439.604 4.825 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1286703814 SMIJVHLAPISDRN-NRFANRHFSA-N 436.604 4.536 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286705745 HINQBGXSGOHHHZ-MZLICYQSSA-N 442.629 4.618 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CC1(OC)CCC(C)CC1 1286748755 ACIQCCOKRQBTJP-KPRXVCGWSA-N 430.618 4.631 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)C(C)C)C1 1286811494 CKEMUMKISUBXEO-FQEVSTJZSA-N 432.996 4.974 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CCC2)cs1 1292726146 BNZGCTCGYQTDMN-UHFFFAOYSA-N 438.626 4.758 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)CN(C(=O)OC(C)(C)C)C1 1298545138 MDFHEKIRUBFIIY-GFCCVEGCSA-N 447.885 4.744 30 10 IJEE C#CC[C@H](NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl)C(=O)OC 1299179619 UKXXFSSJZSNVQN-KRWDZBQOSA-N 427.909 4.673 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](OC)C1CC1 1300565915 YSGLCANEDGXVKV-NRFANRHFSA-N 448.567 4.701 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1300742838 BVUDYOBFHNPXDO-KSSFIOAISA-N 449.393 4.592 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1301127702 QLEFLFVSFCFNJG-IBGZPJMESA-N 426.605 4.775 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301130154 PYZSFFVOMFICAJ-NRFANRHFSA-N 443.636 4.813 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(F)(F)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301167588 CIUAIWYAIQQZBA-OFNKIYASSA-N 446.542 4.526 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301239990 ZAHBGUHPZHNXFT-SFHVURJKSA-N 432.996 4.526 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc(C(C)(C)C)cs1 1301304634 GSIFGYZZLHAKGU-UHFFFAOYSA-N 425.602 4.898 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)CCOCC1 1302599023 AMSWIIKIWYFFDQ-SFHVURJKSA-N 439.629 4.601 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)[C@H]1CCCc2ccccc21 1304067735 RNPXMWPKNUXHTR-RDPSFJRHSA-N 433.527 4.609 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)Cc1ccc(OC)cc1 1307423210 FBXGVIJQJONWGL-UHFFFAOYSA-N 446.526 4.740 30 10 IJEE COCCN(CCc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1310719955 HTOXRMVHPNSOGV-UHFFFAOYSA-N 445.567 4.764 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1)c1ccc(Br)cc1 1311456239 MIAJYPCVGXGFIU-DNVCBOLYSA-N 445.357 4.981 30 10 IJEE C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 1311582442 CRFYZKDUWAGSCK-FQEVSTJZSA-N 448.636 4.947 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1316397542 FJWQNFJRFDESFK-UZLBHIALSA-N 429.634 4.848 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(C)c(Oc3ncccc3Br)c2)C1 1321160019 VQYLPDKZWSUPNI-INIZCTEOSA-N 432.318 4.754 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Cl)c(F)cc1Br 1351790028 WZCKSXWECAEEPM-UHFFFAOYSA-N 432.680 4.991 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2ccccn2)nc1 1352320836 ZTXQFUCIJBHSEN-UHFFFAOYSA-N 426.289 4.874 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 1357645019 MZTHJQUSLCUYHF-UHFFFAOYSA-N 430.545 4.784 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](c1cccnc1)C(C)C 1358944885 LSCNRDAMJCVPQN-IBGZPJMESA-N 438.373 4.612 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359049318 MPCQTIQQQANNTK-NSHGMRRFSA-N 432.584 4.914 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCOC1 1359115991 UFKBPBBCPMTAPU-HXUWFJFHSA-N 426.605 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccsc2Br)CC1 1359162955 LUPMSAFQIGVQNJ-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCCCN2CCCC[C@@H]2C)CC1 1359167359 CRPAULXETRPLPI-QHCPKHFHSA-N 437.632 4.711 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H]1CC)c1ccccc1 1359193330 CFVCGNWZXFBVJG-NNWRFLSQSA-N 444.583 4.910 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1359223601 QDRMIGDMLJEYNM-PZJWPPBQSA-N 425.533 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C)c1ccc(OC)cc1 1359232869 IIMMCDHOTWHXDY-OAHLLOKOSA-N 444.377 4.860 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCNc1ncc(Cl)cc1Cl 1359235295 UYZQCWXUCKUVNW-UHFFFAOYSA-N 431.371 4.944 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC(F)(F)C1 1359277777 VVJHALVTHSSXNY-SFHVURJKSA-N 427.499 4.912 30 10 IJEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N[C@@H](C)[C@@H](OC)c1ccccc1Cl 1359288562 LIHBDJSEEFPYJZ-KSFYIVLOSA-N 436.947 4.544 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1ccccc1C 1359290773 OYGBFDAUGLEYFR-FQEVSTJZSA-N 425.577 4.871 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1 1360224206 CNZUSRYSZWMWDQ-LJQANCHMSA-N 447.897 4.937 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)C(=O)OCC 1455242069 JUFVINHONNQNOU-KRWDZBQOSA-N 431.945 4.677 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)[C@H](Sc3ccccc3F)c3ccccc3)n2)cc1 1457027247 COTGRCVOIVATKJ-JOCHJYFZSA-N 443.507 4.809 30 10 IJEE C=CCN(CCc1ccco1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 1458354697 FXHGGPMGGJJVFS-KRWDZBQOSA-N 435.351 4.696 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1sc(Br)cc1C 1462695792 NVVRQIZHKVVUDR-UHFFFAOYSA-N 426.810 4.911 30 10 IJEE O=C(Nc1cccc(C#Cc2cccs2)c1)c1cc(Br)cc2nc(O)[nH]c12 1463983581 XIMHEBUYMODAPQ-UHFFFAOYSA-N 438.306 4.745 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)C(C)C 1464869723 KFYNHLMUPZMFFU-NRFANRHFSA-N 443.975 4.535 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1 1467535958 REMHGGOOYHNVCY-UHFFFAOYSA-N 439.946 4.556 30 10 IJEE C=CCC[C@H](NC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F)c1ccccc1 1469468212 JXWYSELCPWMSDK-QUCCMNQESA-N 436.474 4.794 30 10 IJEE C#C[C@H](NC(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12)c1ccc(Br)cc1 1470662608 GPJCEROOBYFGGP-SFHVURJKSA-N 448.723 4.939 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H]3c3cc(F)cc(Br)c3)C2=O)cc1 1473363692 DBOCJATWZKEGLF-RTWAWAEBSA-N 442.332 4.792 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] 1476729598 ODHDIBZXEQHDGY-UHFFFAOYSA-N 434.290 4.629 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc(OC)c1OC 1477029677 YSIAWLFUYPVUJO-UHFFFAOYSA-N 427.520 4.883 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2ccc(OC(F)(F)F)cc2)n1 1492495769 FLLLZURKJHCDJN-MRXNPFEDSA-N 444.461 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccc(F)cc1 1507762645 XGWLSSAYZMCIIP-WAIKUNEKSA-N 439.922 4.592 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC(C)(C)OC)CC1 1507887610 RBXJXVFVLFNZEC-UHFFFAOYSA-N 432.996 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2ncccc2C)CC1 1507900527 OROODRQQVDOTFY-UHFFFAOYSA-N 447.583 4.897 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507926064 AIRNDZMMAVKMLY-UHFFFAOYSA-N 446.477 4.546 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1507944444 RLNZRVJFSGPYFD-UHFFFAOYSA-N 433.556 4.554 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)C(C)C)C1CC1 1507996250 WAXXAZOSZQAXQN-VWLOTQADSA-N 426.605 4.716 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCCn1ccnc1C 1508001013 IPCBXCJWOQFBEE-UHFFFAOYSA-N 447.974 4.781 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)cs1 1517754404 DQNAQPOEAAOLMB-GVDBMIGSSA-N 436.585 4.654 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c(OC)c1 1521159087 ZNKLCWPTJOQJEM-VFNWGFHPSA-N 434.319 4.856 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 1523462288 GHKBXRDNZYVINP-UHFFFAOYSA-N 427.327 4.763 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](CC(=O)OC)c2cccc3ccccc23)cc1OC 1524553589 YUXAGYQZQJDYRJ-SERSOLAASA-N 445.515 4.847 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 1524720881 IIOOPCPSCBVULK-IFMALSPDSA-N 440.609 4.989 30 10 IJEE Cc1c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cnn1-c1ccccc1F 1526174374 AAAPSDBRDNYYHO-CQSZACIVSA-N 430.405 4.893 30 10 IJEE C=CC[C@]1(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CCCN1C(=O)OC(C)(C)C 1526307895 QULVAVWJZYHBCI-RUZDIDTESA-N 425.573 4.889 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2)cc1C#N 1526342144 DIDBWLKTMARKFP-UHFFFAOYSA-N 439.313 4.936 30 10 IJEE C=CCN(C(=O)c1cccc2c1OCCCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1530619318 MSWZTZSQJGPYJC-UHFFFAOYSA-N 437.477 4.712 30 10 IJEE C=CC[C@@]1(C(=O)Oc2cc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 1537106525 XXIPOJPRQWFKEI-FQEVSTJZSA-N 440.334 4.709 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[C@H]2C)c1 1538178280 WHDXRQXMGCAQIO-MSOLQXFVSA-N 447.000 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@H]1C 1539305778 ORHNRSIMFSAUCY-HZPDHXFCSA-N 431.403 4.668 30 10 IJEE C=CCC1(C(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)CCCCC1 1539511705 WKSBSMBVJPVPSO-UHFFFAOYSA-N 427.408 4.502 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539601318 ZLWTTWYOOPDLAA-GASCZTMLSA-N 439.348 4.813 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1539667514 IWFQLHCNMBVDKB-RBBKRZOGSA-N 425.621 4.704 30 10 IJEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1539793023 HTURFZOEKLNGKR-UHFFFAOYSA-N 441.938 4.782 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCN(CC)CC)CC1 1539828880 QKDGUTLOGJCZOY-QFIPXVFZSA-N 425.621 4.923 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@@H](C)[C@@H]1C)c1ccccc1 1539949513 YTEUPYIJFTYUGK-SXWKCWPCSA-N 433.625 4.954 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](c2ccccc2Cl)N(C)C)o1 1542292629 CDDFMODEUWQRAP-DNVCBOLYSA-N 426.952 4.541 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2CCOCC2)CC1 1555995711 DCFUNHMPABRCGI-UHFFFAOYSA-N 434.371 4.809 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OCC)c(OCC)cc1Br)c1ccc(F)cc1 1562253935 HKTPAEGQYAAVEP-INIZCTEOSA-N 435.293 4.882 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)Cc3cc(Br)ccc3F)cc21 1563315129 FKDZJQHNYCESKV-CYBMUJFWSA-N 431.309 4.877 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1oc2ccccc2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1563733719 BJKPOJIUWTVRJO-GOSISDBHSA-N 439.556 4.847 30 10 IJEE C#CCSCCNC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br 1564114284 IQNTZCDTTCHOFP-UHFFFAOYSA-N 437.428 4.897 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCc1ccc(Br)cc1OC 1564422608 PWAGIUUGMZOCTN-UHFFFAOYSA-N 442.357 4.660 30 10 IJEE C=C[C@@H](COC)NC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 1564616961 ACQTUFWRQBGYDT-NRFANRHFSA-N 438.959 4.594 30 10 IJEE C=CCCC(C)(C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1565048040 LCONCCQGSDCGBI-WOJBJXKFSA-N 433.568 4.963 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1583543173 JPRPLUFITPFBMR-JOCHJYFZSA-N 428.598 4.732 30 10 IJEE N#Cc1cccc(NC(=O)Cc2csc(COc3ccccc3)n2)c1Br 1585444578 FYRSUMAKHXIDRU-UHFFFAOYSA-N 428.311 4.537 30 10 IJEE C=C[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 1585672299 AKGDKNNLCBXZAO-GDLUXTLDSA-N 444.531 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nc(C)cs1 1587662578 PIZKZEOYOLFRAK-QGZVFWFLSA-N 444.004 4.523 30 10 IJEE C=CC[C@H](C(=O)Nc1nn(-c2ncccc2Cl)cc1Br)c1ccccc1 1587812856 VXTLJKPZROAYDS-AWEZNQCLSA-N 431.721 4.982 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)cc1F 1588280892 UIUFSRBCLCAUNY-HNNXBMFYSA-N 426.536 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@@H](C)C1CCC1 1589559400 QYEAQJYCKBHNRZ-SWHJIRTISA-N 438.616 4.874 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Cl)s1 1589559516 SGXXQHSOSBSTNU-UTKZUKDTSA-N 444.004 4.596 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCSC[C@@H]1C 1589731539 PFGVDFKYEWMZSO-LBPRGKRZSA-N 427.799 4.879 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 1594498851 YFGSAEOLUPWQDN-PMACEKPBSA-N 437.636 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(C)c2)CC1 1594511920 XUELJBZQGMKQNG-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc3ccccc3o2)nnc1[C@@]1(OCC)CCOC1 1594529140 QOMCSEBGDCMUML-RUZDIDTESA-N 438.572 4.915 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1594906966 MZZXTLMQGDDNEG-UHFFFAOYSA-N 441.583 4.802 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@H]1C 1595109248 WBVPNOCQNFTPCG-LJQANCHMSA-N 436.991 4.670 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccncc1Cl 1595178305 IQRTXQKIUCXXQR-INIZCTEOSA-N 427.911 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)c1c(C)noc1C 1595229324 QNFNJMDZTJBTRI-SFHVURJKSA-N 430.556 4.868 30 10 IJEE Cc1cc2nc(C)c(CCC(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)c(C)n2n1 1598303244 ASTZEPZBEPFIGV-OAHLLOKOSA-N 443.473 4.547 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1613125352 BLKFJGFEXHFADE-RWTJRTBCSA-N 443.567 4.748 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccccc2F)C(C)=O)nc2sc3c(c2c1=O)CCCC3 1613284401 YQTXFGXGVVWAQA-IBGZPJMESA-N 442.581 4.954 30 10 IJEE C=CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N/c1ccc(C(=O)O)cc1 1614234524 RMVLEPXLOLBTOT-LBCNESNHSA-N 443.322 4.937 30 10 IJEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1C1CCCCC1 1617832918 GZYAWORKJZEMKC-FQEVSTJZSA-N 446.521 4.612 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 1618480023 FGLVJKMOPHCWSF-BBXSYUKCSA-N 432.564 4.929 30 10 IJEE C=CC[C@]1(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1618710299 VATUWGRIBPFEKQ-HSZRJFAPSA-N 436.955 4.826 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 1624834716 MZTRUCCOLQTHCG-GOSISDBHSA-N 427.501 4.720 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN([C@@H](CC)c3ccc(F)cc3)CC2)cc1OC 1633870660 AITZENNODBTPKI-ZHBYIJCFSA-N 438.543 4.708 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1)C(=O)OC 1638394642 CXIDADNBAIBVDO-QHCPKHFHSA-N 431.536 4.784 30 10 IJEE Cc1oc(C#N)cc1C(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 1638689496 GHCDMCSGZNJBLD-UHFFFAOYSA-N 435.911 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cc(C#N)ccc3Br)CC2)C1 1643288196 AAXGRJDBWAICKO-SFHVURJKSA-N 448.405 4.790 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1657563274 QTBRODFCWKWNDY-IBGZPJMESA-N 434.927 4.580 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(OCC)cc2)c1 1659248582 KMKJZGMPHALBSU-UHFFFAOYSA-N 438.501 4.649 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C(=O)OC)c2ccccc12 1661002929 RBLBWBJCUAZMTE-UHFFFAOYSA-N 435.954 4.718 30 10 IJEE CCOc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)c2cccc(Cl)c2)cc1 1661017017 AFAUEPWBUOLFRX-QFIPXVFZSA-N 444.915 4.817 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1666717445 PQZAVCUINGOTFT-VQQMMKBISA-N 433.618 4.610 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)NC3CCN(c4ccccc4C#N)CC3)cn2)cc1 1667988580 FBHKCJZZVJWLPF-UHFFFAOYSA-N 427.508 4.845 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(Br)cc1 1668411028 QOKKXSMNKZQDOM-MSOLQXFVSA-N 447.304 4.642 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nc2cccc(Cl)c2n1C 1670846001 WVCBHTHLJNXSDZ-UHFFFAOYSA-N 449.736 4.876 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc1 1677873827 YKOKVDPASCBZFV-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C=CC[C@H]1N(C(=O)NC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)CCCC1(C)C 1678027289 WNMUCTIBJIQRBX-XZOQPEGZSA-N 425.617 4.948 30 10 IJEE C=CCSCCNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1680017927 VHPMHFBRSTZANU-FQEVSTJZSA-N 429.586 4.624 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1)c1ccccc1 1680804259 JIPLXUWXKUGLQU-WMZHIEFXSA-N 439.987 4.832 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)CCCC2)cc1 1680846742 AFHSLJKSCQJRNT-UHFFFAOYSA-N 445.611 4.594 30 10 IJEE C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(NC(=O)c2ccncc2)cc1 1684592686 DBGLWDFBXZMRIQ-BXKMTCNYSA-N 439.519 4.643 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(N(C)C)c1 1689835219 IPULSSRAUCQCID-GOSISDBHSA-N 433.625 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N1CCC[C@@H](C)C1 1689839439 GMUHRIGRMOBNMN-IKGGRYGDSA-N 434.415 4.830 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCc1cccc(C)n1 1689843365 URUXNCJAUNJGNV-KRWDZBQOSA-N 438.373 4.502 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1689919203 GEELODZYYACJKT-VQTJNVASSA-N 430.955 4.935 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1690026681 IIHNKLHBOQTHRN-WOJBJXKFSA-N 444.501 4.840 30 10 IJEE C#CCSCCn1c(N2CCC[C@@](C)(OC)CC2)nnc1C1(c2ccccc2)CCC1 1690186878 WPNZQJYLVMGHDW-XMMPIXPASA-N 438.641 4.510 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(OCCC(C)C)CC1 1690248864 QUPFTAUBHIJYAJ-NFBKMPQASA-N 432.653 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CCC(F)(F)F 1690251043 OPQCJLMJJNEKMH-XLIONFOSSA-N 438.494 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1690264064 OMUULXICWHTVII-ICSRJNTNSA-N 431.625 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C(=O)NC 1690422205 HFTCXSNOYOAMNB-AWEZNQCLSA-N 438.403 4.673 30 10 IJEE C=CCCOCCn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1690512289 SYPPPNWZDZPGGZ-UYAOXDASSA-N 448.533 4.975 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1690538961 SYAXKAXHYCEFAS-GJZGRUSLSA-N 449.368 4.817 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(CO)c1 1690586712 SYEUAAHAYMRZGD-GOSISDBHSA-N 434.609 4.850 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1N(C)CCCC1(C)C 1690591856 XKTJTYKEQBTWSD-QHCPKHFHSA-N 432.616 4.736 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=C)Br)C1 1690686265 LCOITRAEZZTQJF-RBUKOAKNSA-N 431.378 4.510 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](CC)Oc2cccc(F)c2)C1 1690697418 VCEUOPJWRUSAEW-IFMALSPDSA-N 428.552 4.714 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[C@H]21 1690737094 ZOIAOLNPJVTJTN-KBXCAEBGSA-N 449.418 4.624 30 10 IJEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CC[C@H](F)C1 1692154871 CSHWALOSDKIJOM-UXHICEINSA-N 425.552 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC2(CCCCC2)O1 1705505429 KJLUDDCOLJLARJ-DOIPELPJSA-N 428.621 4.537 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccccc1F 1705521452 BVNUJKJYPKBNIU-HNAYVOBHSA-N 444.461 4.881 30 10 IJEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]1c1ccc(C)o1 1705537415 FOAMTASQRPERIS-HXUWFJFHSA-N 434.540 4.912 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1ncc(C)s1 1705555815 AYIYQLJZSFCSEL-KRWDZBQOSA-N 437.613 4.793 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H]1CCO[C@H](C)C1 1705577424 ZOGZZGJERMVSHP-SJORKVTESA-N 431.367 4.530 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC2(CCCCC2)C1 1705666133 PJEWEFYOHXMKLV-UHFFFAOYSA-N 428.577 4.523 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCC(C)(C)C1 1705677387 MSNXSMZAVLOVBG-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 1705696998 RUECZLLPTCXETR-IZIIKQMZSA-N 445.007 4.975 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1705707217 HDFBRXNTSVPQHD-RMJJICAUSA-N 445.633 4.636 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC(C)=C(Br)C1 1705733215 PUXQZCOJBUHKIK-UHFFFAOYSA-N 431.378 4.725 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCCC 1705753483 BHGMRQYJGKEEGJ-UHFFFAOYSA-N 426.005 4.772 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705799211 PUIYHRHPJRNVSA-MSOLQXFVSA-N 429.634 4.594 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](OC)C(C)(C)C1 1705826776 JJLZAMAERJUOTG-OAQYLSRUSA-N 444.645 4.729 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CCC(=O)NC(C)C 1705865767 VSPVNQPDPDYLCC-UHFFFAOYSA-N 444.004 4.767 30 10 IJEE COC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)CCCC1 1711619255 GTDCXWBPCKUUGB-PXNSSMCTSA-N 425.577 4.590 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722326452 GASQIBAROQGREC-ICSRJNTNSA-N 442.991 4.616 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722339597 WSNZVGVPYQLOCQ-UHFFFAOYSA-N 448.640 4.714 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CCC)CCC1 1722347922 RZSCJNMMLVNDSQ-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(C)CCCS1 1722421273 OLYYAJVSFFEBHP-HXOBKFHXSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@H](c1cccnc1)C(C)C 1722474853 RZNXADLMHCWCHW-RPLLCQBOSA-N 443.595 4.727 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CC(F)C1 1722490732 CJMSRUHWFVGKCW-MLXWVVACSA-N 446.542 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@H](C)[C@@H]1C 1722585074 PZYYQNFIUBJUNK-UONOGXRCSA-N 438.439 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722585922 NKBQITXZHFDTTI-SCTDSRPQSA-N 428.646 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1722586162 VMIYUAAIIYGPPG-VWLOTQADSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1722606414 OEPSFABDQIWTAO-HXUWFJFHSA-N 438.334 4.962 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2[C@@H]1C 1722606713 SPTHNRWJNRGNOF-SFHVURJKSA-N 435.597 4.750 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722611754 LCUSDEDANABNOP-UHFFFAOYSA-N 444.917 4.565 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCc1nccc(C(F)(F)F)n1 1722642582 IMRYYGMXWWQPAJ-UHFFFAOYSA-N 448.518 4.553 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)Nc1cccc(Cl)c1C)C1CC1 1722649180 LIKRCQWDRNOLEB-HXUWFJFHSA-N 443.979 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1722668445 YYAGISSQVGMWJK-LEWJYISDSA-N 437.588 4.531 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)cc1C 1722677218 XLJUPNVSMRRJEO-DEOSSOPVSA-N 449.599 4.771 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@@H]1CCCCO1 1740540906 OAVMBJGZTQJMSF-CTNGQTDRSA-N 434.540 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCS1 1740725613 SJIWUIOVGYZYQF-HCLVMJGWSA-N 428.577 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC[C@H]1CCOC1 1740768897 CMXPMTCUPYRISG-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740815681 GZVQOSFIMBNQFC-ZBFHGGJFSA-N 427.401 4.980 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCC2(F)F)CC1 1740819192 HJFSFVIAAYCVFC-SFHVURJKSA-N 432.515 4.944 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1740827680 HBLUMLVJUIBLKP-FUHWJXTLSA-N 449.368 4.914 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740864363 MABKUJYDUNYGPS-DHIUTWEWSA-N 429.653 4.968 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)[C@H](C)CC)C1CC1 1740907767 YDJPLNMKTCQJLR-ZHRRBRCNSA-N 447.421 4.968 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCCC1(C)C 1740921980 PRCKACQRWCQQOS-XMMPIXPASA-N 437.613 4.844 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CCC(F)(F)F)CC1CC1 1748730809 UQBQWPSLVNXSLE-UHFFFAOYSA-N 447.505 4.729 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1748731282 ZDSKNHNMULKXBG-MYDTUXCISA-N 442.648 4.643 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@@](C)(CC)O1 1748917606 FVYWBJODDDKMSM-QFQXNSOFSA-N 448.567 4.924 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1coc(-c2cccs2)n1 1748940046 DJAMJVMHTVNALM-UHFFFAOYSA-N 435.528 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCc1csc(C)n1 1749080897 XIRGKQMCZVHFPO-HSZRJFAPSA-N 437.638 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1749132680 CADDHIMAPDBOLX-VNZMSGEBSA-N 435.547 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCCC[C@H](SC)C1 1749136441 NIXWSBFEUBHTRO-FIXSFTCYSA-N 440.657 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1749144164 SMQHXMTUQULVRZ-JTHBVZDNSA-N 425.621 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCc1cccc(F)c1 1749163850 QVQPUPYHICAHPJ-UHFFFAOYSA-N 432.547 4.691 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C)c1ccccc1 1749247318 VHCBAUPFNYREJB-GGAORHGYSA-N 437.632 4.711 30 10 IJEE COC[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(C#N)C1 1749296912 FIZWZRNAALGELF-HXOBKFHXSA-N 427.618 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1749357286 LLLVNXBZKSGPHP-OAQYLSRUSA-N 436.556 4.733 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749436942 AJXQBYLVPLUKIC-SIKLNZKXSA-N 426.605 4.982 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1cc(F)cc(OC)c1 1749587034 FSOLDIZFKRNOFD-UHFFFAOYSA-N 436.487 4.871 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1749718735 ZDRQYCMWDYBQIR-FCHUYYIVSA-N 437.613 4.547 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC(CN(C)C(C)C)CC1 1749751507 XAFGEXUIEHUAMQ-UHFFFAOYSA-N 431.625 4.560 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@@H]1C(=C)C 1760227440 FHQHUCRBHWRDLE-RCZVLFRGSA-N 443.595 4.793 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)OCCc2sccc21 1760236085 IFWZRHKQBUZAIQ-QHCPKHFHSA-N 441.000 4.531 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760274713 MQNOKOJXORYSQW-LVCYWYKZSA-N 426.630 4.884 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760315416 FFGBRVBWZOVJLK-YCAMKHIRSA-N 443.680 4.865 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](OC)C(C)C)CC1 1760384531 AVVOMRCIFKYOLD-HSZRJFAPSA-N 436.556 4.945 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C)nc2)CC1 1760385069 LCRMGKUZEKCKCI-UHFFFAOYSA-N 442.336 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760409477 WCYQHZBIVRSOBU-MJGOQNOKSA-N 445.558 4.822 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1nc2c(s1)C[C@H](C)CC2 1760501488 RSJAVCWZGPTUPT-GOSISDBHSA-N 439.629 4.934 30 10 IJEE CCCCOc1ccc(C=NN=C2NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1OC 1772742163 DKBRASXODRGFAY-HXUWFJFHSA-N 445.972 4.692 30 10 IJEE Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4cccc(C#N)c4)C3)n2)cc1C 1860664740 AKZBHEHYAADFLQ-NRFANRHFSA-N 444.560 4.790 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)Cc4ccccc4F)cc3)CC2)c1 1860684749 KWQKNVNXMMTMDR-UHFFFAOYSA-N 440.474 4.775 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(C)cc2)cc1 1862475179 FVNOLNRTXDPZSG-XMMPIXPASA-N 441.483 4.811 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Br)ccc1F 1862499278 CPBOCQUGZGQOIC-IBGZPJMESA-N 444.300 4.969 30 10 IJEE CN1CCCc2cc([C@H]3C(C(=O)c4ccc5c(c4)CCCC5)=C(O)C(=O)N3C3CC3)ccc21 1862554137 WDRBKYFNVRTIHT-VWLOTQADSA-N 442.559 4.689 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1cccc(O)c1 1862602795 KZKJFJJUZHHTTM-XMMPIXPASA-N 441.483 4.712 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)c(O)c1)c1cccc2ccccc12 1862651766 AKALPCIHVAMCHT-HSZRJFAPSA-N 441.439 4.623 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2Cl)cc1 1862661536 RFIGLCQIJHVDPB-JOCHJYFZSA-N 440.971 4.993 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(F)c2)cc1 1862686808 BUBINTQXKICIHW-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCCOC)C1=O 1863667800 DOWPYOUNPJJXHD-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706727 JCMOXBSFJPCLDE-HXUWFJFHSA-N 438.527 4.882 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1ccc(CC)cc1 1871156089 NMUBMSOHPQWMHS-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1OC 1871383024 APVYJYNKTUZITI-KIKGYRQASA-N 443.455 4.724 30 10 IJEE Cc1c(OCC(=O)Nc2nc3ccccc3s2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871442717 QTDALMZXUDHQPE-UNOMPAQXSA-N 443.484 4.633 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@H](C)O[C@@H](C)C2)[nH]c(=NCCCCCCCC)[nH]1 1871469057 OEZSAQWWILACMW-VXKWHMMOSA-N 448.700 4.874 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871922827 DIQOGKGFBMCCHN-CVDCTZTESA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872132971 NZDGSSIOKXWOAH-OAQYLSRUSA-N 446.638 4.631 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872211251 ZAHBZMKXWHLQLA-QHCPKHFHSA-N 426.582 4.749 30 10 IJEE Cc1sc(C2=C(N)N(Cc3cccs3)CC2=O)nc1-c1ccc(Br)cc1 1872724446 GNCLSOAZONJUND-UHFFFAOYSA-N 446.395 4.655 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1C 1872765682 UUKLNHDIBZODJD-VDNIUXDYSA-N 432.501 4.788 30 10 IJEE C=CCOc1ccc(-c2no[nH]c2=NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1 1873439293 UUGAJTYAIZUAAY-QHCPKHFHSA-N 425.488 4.688 30 10 IJEE C=CCNC(=O)c1c(NC(=O)/C=C/c2ccc(OCC)c(OC)c2)sc2c1CCCC2 1873443231 ZPORXXWPXABURB-ACCUITESSA-N 440.565 4.602 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611591 IKDBKTZGAIDLDH-UHFFFAOYSA-N 444.514 4.687 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N3CCC(C)CC3)ncnc21 1873644400 OFERTQCFIMAOKQ-UHFFFAOYSA-N 439.947 4.768 30 10 IJEE COc1cc(/C=N/n2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)ccc1O 1874201770 SLVFOWOIQDVCFG-ZMOGYAJESA-N 440.569 4.781 30 10 IJEE COc1ccc(Cc2nnc(SC)n2/N=C/c2c(OC)ccc3ccccc23)cc1OC 1874238803 QPGYKLGYNFROKS-MFKUBSTISA-N 448.548 4.652 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccnc1)Nc1ccccc1 1874364977 DWMCZLFDJHZGOG-AFUMVMLFSA-N 448.939 4.607 30 10 IJEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)(C)C)cc(OC)c1O 1874484090 FAVZMMOBJUERGK-BUVRLJJBSA-N 440.569 4.515 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc2ccccc12 1874512653 IQZRQRMTGRPTKQ-FSJBWODESA-N 436.566 4.624 30 10 IJEE O=C(/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1)c1cccc([N+](=O)[O-])c1 1874592825 DIPXWPMCLUZFBQ-VAWYXSNFSA-N 427.416 4.719 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cnc(C)cn3)c2)cc1 1874702040 QHSCJNLDXXRAIK-VZUCSPMQSA-N 432.476 4.698 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 1875097224 ANBJXOIENVDGHM-XYOKQWHBSA-N 428.444 4.984 30 10 IJEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875162726 RUZFMDAMPQFFHE-UXBLZVDNSA-N 439.370 4.754 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 1890578327 RDHULCIHTHKAAO-UHFFFAOYSA-N 430.483 4.626 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H]1c1ccc(C#N)cc1 1891302747 BAEBSRQSBCTTIN-WOJBJXKFSA-N 448.375 4.897 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)c(F)c2)NCC)C1 1892685340 YMEZKJSIZKMXFS-QGZVFWFLSA-N 427.358 4.722 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1 1894967085 QZAZERFYMYJGAH-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE C=C(COCc1ccccc1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922101590 ZGHCHELNUTZXCW-HSZRJFAPSA-N 439.552 4.829 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Br)cc1Br 1992886158 NERHFMFLTOUMQI-CQSZACIVSA-N 447.167 4.793 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 2038658896 RORHUJVKNWSSQA-IAPPQJPRSA-N 434.624 4.687 30 10 IJEE O=C(C=CC1=N[C@@H]2C=CC=C[C@H]2N1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2040466010 ZPUVJZNDCUXXBJ-WOJBJXKFSA-N 427.891 4.865 30 10 IJEE CC[C@H](c1ccc(OC)c(C)c1)n1nc(C(C)(C)C)c(C#N)c1I 2079999021 FZBVCOJSPRIJJC-OAHLLOKOSA-N 437.325 4.973 30 10 IJEE Cc1cc(O)c([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2080025782 RXNHIXABIUDMIZ-KRWDZBQOSA-N 449.336 4.979 30 10 IJEE CCCOc1ccc([C@@H](C2CCC2)n2nc(C)c(C#N)c2I)cc1 2080117999 NDSBXGGWDVIUNB-GOSISDBHSA-N 435.309 4.846 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(F)ccc3C(F)(F)F)nc12 2081332171 BOSPBLSJWSEDOZ-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE CC1(C)C[C@H](CNc2cc(Br)cc(F)c2C#N)N(C(=O)OC(C)(C)C)C1 2107438192 IXHAONSGEVRVLT-CYBMUJFWSA-N 426.330 4.907 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2118192646 RFEVTOWWUCTYSV-MLGOLLRUSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@H]2CCCC[C@@H]21 2174814692 KKTZORQQAKEFLG-IRXDYDNUSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCC1)C(=O)Nc1ccc(Br)c(C#N)c1 2180994946 YTFLASFAIOCQQX-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181097368 AYHQMWZRLBUUNB-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNc1cc(Br)cnc1C#N 2194006912 WBYGBJYGUFCXKC-INIZCTEOSA-N 449.374 4.724 30 10 IJEE C[C@H]1[C@@H](C)N(Cc2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1Cc1ccccc1 2220075435 FUCZVCFBNXCPTQ-AQNXPRMDSA-N 440.462 4.531 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2235732524 YSKZPEZKKJSUJT-PERKRYKHSA-N 435.406 4.672 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@@H]1C#N 2243924200 CRUJWMVKRYRFIB-ZYKLXPEUSA-N 445.563 4.748 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc1 2266062217 NGZZQRUGGMCFAJ-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccccc1OCc1ccccc1 2267004299 CPQZTICJWFUHMW-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2296218595 FYOYPHBSUSJRAJ-RTBURBONSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](O)(C#Cc2ccc(Br)cc2)CC12CCCC2 2296286343 KGZRFZBYHLAKLX-QFIPXVFZSA-N 434.374 4.875 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296310436 JQRLEBNZGYRNIF-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2305318657 FVIAIKPQXILGIC-BPYKYCOYSA-N 428.573 4.698 30 10 IJEE CCOc1c(Br)cc(C=Nn2c(S)nnc2C(CC)CC)cc1OC 2323486117 MSFUABQDKSBWMK-UHFFFAOYSA-N 427.368 4.522 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 2323583581 ISILOWDUOYMJFA-UHFFFAOYSA-N 448.269 4.585 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)N(CC)CC 2324009823 CBTZIDHXFGIGAG-UHFFFAOYSA-N 425.525 4.546 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)s1 2324803755 WBAWAMVQSJVKTD-KRWDZBQOSA-N 449.532 4.821 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)c1 2325703942 BQURVIJFTVAPMF-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)Nc1cccc(Cl)c1 2325717053 KOZMSTRHDQSKJO-UHFFFAOYSA-N 449.846 4.702 30 10 IJEE Cc1ccccc1C=Nn1c(CCCOc2ccc(Cl)cc2)nnc1SCCCO 2326033621 MIKIZORGLBWFJA-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2326992031 ODWVTQUXECLYRA-UHFFFAOYSA-N 425.514 4.501 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1C(=O)O 2327954524 CNYAVYVXGDLBGD-UHFFFAOYSA-N 440.956 4.965 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@H]2CNCC[C@H]2NC(=O)c2c(F)cccc2Cl)cc1 2328106507 JJKXVBHCRFROAZ-GHTZIAJQSA-N 428.935 4.593 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2328576855 YBOBKAUTYRJEHP-UHFFFAOYSA-N 437.525 4.531 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1 2331307330 GYTXFDNCUGDKHF-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc(OC)c1 2331445066 BQAMXKLLLMQKDB-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c[nH]c3ccccc23)cc1 2331685183 QZIHFWSXZAACFP-UHFFFAOYSA-N 432.553 4.804 30 10 IJEE C=CCC1([C@@H](O)c2cc(Br)cc(OC3CC3)c2)CN(C(=O)OC(C)(C)C)C1 2362583157 SONKGYGHUSXSEH-SFHVURJKSA-N 438.362 4.837 30 10 IJEE Cc1cc(CNC[C@]2(C)CN(Cc3ccccc3)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369617159 YHLQPSICIKJQFY-SKCUWOTOSA-N 448.460 4.542 30 10 IJEE Cc1cc(CNCC2(N(C)Cc3ccccc3)CCCC2)ccc1B1OC(C)(C)C(C)(C)O1 2369692735 ROWGKZBPDNUDMZ-UHFFFAOYSA-N 448.460 4.829 30 10 IJEE C=C(C)CN(C(C)C)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2374214678 XNKMPEWUDSOHBF-CQSZACIVSA-N 425.186 4.859 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)cc2C1=O 10690400 BWONKUSKTVCLBR-QHCPKHFHSA-N 449.510 4.512 30 10 IJEE N#CC1(c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)CCCC1 30828091 YRNDVCKXPZSSNE-UHFFFAOYSA-N 428.355 4.911 30 10 IJEE CCc1ccccc1N/C(=N/C(=O)c1ccc(F)cc1)NCCc1c(C)nn(CC)c1C 32973337 UJRDWPIFIJUVMO-UHFFFAOYSA-N 435.547 4.662 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)c1 33401703 CVBRRYAZFXWMHO-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(OC)cc2)SC1=S 33430382 AXKYWYFLNMPVPP-PGMHBOJBSA-N 441.574 4.930 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 34954438 GIRLXZHYGMYRFB-SDQBBNPISA-N 433.416 4.727 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccccc1 36805846 YYBYTKUZGRWZCD-DLBZAZTESA-N 440.544 4.540 30 10 IJEE CCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3)c2O)cc1 38619644 MKBXEGDQPALRQC-UHFFFAOYSA-N 430.504 4.582 30 10 IJEE Cc1c(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(O)n(Cc2ccccc2)c(=O)c1C#N 40523086 LCTGESMIHWUIFF-MAUKXSAKSA-N 431.319 4.556 30 10 IJEE CCC/C(C)=N/Nc1nc(SCCC(=O)NC(c2ccccc2)c2ccccc2)n[nH]1 59890192 PTEYCSHKFPIJEL-YZSQISJMSA-N 436.585 4.781 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(F)cc2)no1 102718952 WXRBVCMDSGCNNP-SADKCHQCSA-N 436.439 4.536 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921707 XWJKRJUHCVFLRU-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926059 VSWZWAKKGTVSJY-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(OC)c2)cc1 169930855 KHLWCHRQCZTWKA-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936122 CWLPMKPYASOGCY-XMMPIXPASA-N 438.483 4.967 30 10 IJEE CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccccc1OCc1ccc(Br)cc1 169937040 AAJOWJFIVMUEJU-FQEVSTJZSA-N 445.382 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169963575 HKRMPUTZFSVACO-QFIPXVFZSA-N 446.409 4.935 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccnc2)cc1 170002703 CTVXQFPCDIPVGP-JOCHJYFZSA-N 443.459 4.896 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccccc2)cc1 170056387 FJFAGZUFSFFZCQ-NRFANRHFSA-N 427.435 4.793 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)s1 170072619 HDGAQCJVDBYIIG-IBGZPJMESA-N 440.471 4.817 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2C)c1 170087211 TWYRQEJAOPPSFS-XMMPIXPASA-N 442.515 4.853 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)cc1C 170187527 BWOBFOPBBXMSEG-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cn(C)c2ccccc12 170269130 MZLYMUWAUBYCLZ-QHCPKHFHSA-N 432.520 4.874 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 170443434 LTYXZILZEBFSMH-QHCPKHFHSA-N 435.568 4.724 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(OC(C)C)cc2)c1 170474048 YBTWRXYOXJZMKY-DEOSSOPVSA-N 437.536 4.993 30 10 IJEE C=CCn1c(SCc2ccoc2C(=O)OC)nc2sc(-c3ccccc3)cc2c1=O 196416909 VNXUYSWIHODEAE-UHFFFAOYSA-N 438.530 4.983 30 10 IJEE C=C(COCC)[C@H](NCCC)c1cc(Br)ccc1I 387423310 GPWVKKXSONIRJI-HNNXBMFYSA-N 438.147 4.687 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@H](CC(F)(F)F)C2)nnc1-c1ccc(Cl)cc1 434009525 ZIGPOZFQLRVUIX-CYBMUJFWSA-N 444.910 4.678 30 10 IJEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460546014 JNYFJGVCMDSHDT-HSZRJFAPSA-N 447.583 4.888 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@H]3C[C@@H]12 504240380 ZXKJZOJZCOHWGC-WRDBPHBTSA-N 429.004 4.776 30 10 IJEE biogenic C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 517336050 WMZSPAUDNFAIAD-UHFFFAOYSA-N 446.551 4.912 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(Br)cc1 526823490 VYLWSICXNDFBFF-UUYOSTAYSA-N 426.343 4.649 30 10 IJEE N#Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)c1 585905341 YCWDNUNMCKUBQK-QFIPXVFZSA-N 440.503 4.777 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)c(OC)c1 586222899 DOWIDIXRFNMRKP-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3cccnc3)CC2)cc1 586506205 QFIGPVRVONXWLK-UHFFFAOYSA-N 444.597 4.651 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 604488100 WJAWPJHEHIYNMD-UHFFFAOYSA-N 449.536 4.834 30 10 IJEE COc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2)ccc1OC(C)C 619817474 IQOZABKGCSMSSK-AREMUKBSSA-N 445.567 4.919 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(F)c1 698377493 SMRTZNQBFWCNOR-KRWDZBQOSA-N 428.346 4.732 30 10 IJEE COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)c2)cc1 731564813 UHWMDKVPCKEMPR-VZUCSPMQSA-N 442.393 4.963 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O 735233399 VAECCCNSTQOKSF-HSZRJFAPSA-N 445.906 4.948 30 10 IJEE C[C@@H]1CN(Cc2ccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)C[C@@H](C)O1 739598154 DXBOHZSZAPFTTK-RTBURBONSA-N 445.588 4.826 30 10 IJEE C=CCN(C(=O)/C=C\c1ccnc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 757927923 CFAIIACKJMGJDF-BAQGIRSFSA-N 426.885 4.999 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@H](c3ccccc3)O[C@H](C)C2)c1=S 764913935 GPZHXWHDHMICRX-XMSQKQJNSA-N 436.581 4.695 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 780054722 FIFCBECOWJHNDZ-BCHFMIIMSA-N 449.510 4.975 30 10 IJEE C=CC[C@@]1(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)CCCN1C(=O)OC(C)(C)C 791714677 ANKZOQJPGAUJCX-HJPURHCSSA-N 427.501 4.687 30 10 IJEE COc1cccc(N2CCN(/C(=N/[C@@H]3CCCC[C@@H]3C)Nc3cc(F)ccc3O)CC2)c1 1088684153 CHMUYCOSQMTPON-PGRDOPGGSA-N 440.563 4.709 30 10 IJEE Oc1ccc(-c2ccccc2)cc1N/C(=N/CCc1cccc(F)c1)NC[C@H]1CCCO1 1088736124 DBFODDBUCLREFW-HSZRJFAPSA-N 433.527 4.978 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1125602852 JBGXXBVLOMPOFQ-PXNSSMCTSA-N 430.545 4.784 30 10 IJEE Cc1cc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)nn1-c1ccc(Cl)cc1Cl 1127591821 CRYWCRJXXSPJAK-UHFFFAOYSA-N 437.290 4.797 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn(-c2ccccc2)c1COC 1129703045 XPHUHJUXNSKVGB-UHFFFAOYSA-N 442.313 4.598 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)CCCC1 1131040641 MWUAVFQWZMLJCJ-KRWDZBQOSA-N 442.556 4.584 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(Cl)c(Br)c(OC)c1N 1136340696 AOGXOGSXFJUATD-UHFFFAOYSA-N 439.737 4.530 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1 1136389215 QTFJHKYVASSWEP-UHFFFAOYSA-N 442.924 4.958 30 10 IJEE C=CCCC(C)(C)CNC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 1150961059 MZAFCCGPFICYCM-CYBMUJFWSA-N 427.330 4.812 30 10 IJEE C=C(CC(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1166012994 NTNBBZUJJFORBY-VXKWHMMOSA-N 430.589 4.897 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)ccc1OC 1177870709 NNDDVZDPBWJAOT-GOSISDBHSA-N 436.474 4.917 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 1190621787 QILOEMXAILZYFM-HRAATJIYSA-N 439.499 4.975 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(Cc2ccnc(OC(C)C)c2)C2CC2)ccc1Cl 1192281738 BMNLMIQIZJFZDQ-UHFFFAOYSA-N 440.975 4.742 30 10 IJEE COc1cc(C#N)ccc1CN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 1194632610 ASGBFMSYJMXHFV-AREMUKBSSA-N 426.564 4.629 30 10 IJEE C#CCOc1ccc(NC(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)cc1 1200414534 OQDHOQLPVWARNZ-UHFFFAOYSA-N 441.325 4.561 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 1201314606 NDRBBVIEMIODQX-UHFFFAOYSA-N 448.494 4.959 30 10 IJEE C#CCN(C[C@H]1CCN(c2ccccc2)C1)[C@H]1CCOc2ccc(Br)cc21 1204922540 AULNKDOKPRZZIM-AVRDEDQJSA-N 425.370 4.734 30 10 IJEE N#Cc1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1Br 1205019525 BPRBACLUTUWBRN-IBGZPJMESA-N 447.764 4.933 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@@H](c1ccccc1)c1ncc[nH]1 1219084616 SSSDGXZDPFCZOO-IBGZPJMESA-N 441.329 4.990 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1224521387 GHVADWFCZBRJBB-VQTJNVASSA-N 442.357 4.561 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1230488775 CRUCHIYCSOLEAG-WXVUKLJWSA-N 445.991 4.741 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c1 1233552659 FCQFKVLFRSAYIR-XMMPIXPASA-N 443.547 4.886 30 10 IJEE C=CCN(C(=O)c1cccc(-c2csc(C)n2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1269213959 CJYAYBOCUWHMDG-QHCPKHFHSA-N 434.561 4.921 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)nnc1-c1ccc(Cl)cc1Cl 1278276368 NUPRROUARAQLLO-KCQAQPDRSA-N 437.396 4.835 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCOC[C@H]3c3cc(F)cc(F)c3)c2)cc1 1279380549 HDHKIPMEEQCQHE-DEOSSOPVSA-N 434.442 4.629 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C1CC1 1286278020 KMAKWXUHVWTIEI-QKLQHJQFSA-N 430.980 4.571 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccncc1Cl 1286279555 WDHXZBSQSPUVPZ-HUUCEWRRSA-N 430.339 4.626 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286533280 GDOONZYMQOFESJ-HOTGVXAUSA-N 444.377 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1286560124 BXDMFIGVGUIATG-XFQAVAEZSA-N 427.499 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCCS2)CC1 1286655379 PRGHCUOAJWRCCP-MRXNPFEDSA-N 436.423 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286666184 BOEVVAUODVHOON-UHFFFAOYSA-N 427.593 4.532 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286690077 KSWKWDWDLMVNMH-BSDSXHPESA-N 444.542 4.709 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1286693243 WNADXDIDULPZFN-UHFFFAOYSA-N 448.514 4.635 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)C(F)(F)F 1286764898 DZZIKQNLZIBEJM-UHFFFAOYSA-N 436.522 4.975 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccc(OC)c(OC)c1 1286770766 VRXDKNGTIFHQBY-MRXNPFEDSA-N 438.597 4.971 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](OC)C1 1286825398 KGUORXHJBJGQHA-SFHVURJKSA-N 441.626 4.521 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286829524 IYJCOZCUMXTWEB-IBGZPJMESA-N 443.020 4.765 30 10 IJEE Cc1nc(C)c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)s1 1290371085 GFEYBVIAGAWSMO-YJBOKZPZSA-N 438.601 4.895 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1291075391 ASCXUTIJISSOIO-KNQAVFIVSA-N 437.588 4.560 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1)OC 1291941111 CINJOBFTGRZECS-WIOPSUGQSA-N 434.588 4.788 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccsc1)N(C)C 1300325101 SOYYWDHSZWJMRR-GHTZIAJQSA-N 439.654 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)C[C@@H]1CC=CCC1 1300891237 XWYNWDPGNHVSGT-LFAGZIFBSA-N 436.600 4.651 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1300944554 WWGAFOFYSQDADO-PXNSSMCTSA-N 443.567 4.790 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@H](C)C2)CC1 1301135770 RMSMKZGRYDLJIH-QUCCMNQESA-N 442.629 4.797 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 1301164411 SRJQJMFPGMQPRZ-ZJSXRUAMSA-N 449.643 4.990 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1csc(-c2ccco2)n1 1301299286 HKZYAILTEBVGKD-UHFFFAOYSA-N 427.480 4.534 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCc1ccc(Br)s1 1301305043 OHQAVDOIUNKQMI-UHFFFAOYSA-N 447.402 4.854 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCC2CC(OC(C)(C)C)C2)C1 1301566773 QPVXMTYSFRDELK-ATKRNPRHSA-N 430.637 4.776 30 10 IJEE C#CCN(C(=O)c1cccc(NCC(C)(C)C)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1303656422 XETNTNPVEAUZST-UHFFFAOYSA-N 441.616 4.928 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCCCC2)nc1 1305578276 BSMAPXYRTFRDNT-HXUWFJFHSA-N 443.599 4.733 30 10 IJEE C=CCn1c(Sc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)nnc1-c1ccc(Cl)cc1 1306921436 RVOGOSQYZFQUPF-UHFFFAOYSA-N 444.826 4.596 30 10 IJEE Cc1cc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)ccc1C#N 1309285660 FIIDTMWOAVDJBA-CYBMUJFWSA-N 431.970 4.992 30 10 IJEE COc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2ccccc2CC#N)cc1OC 1309351142 BMJRJDUOAXHTHM-NQIIRXRSSA-N 442.581 4.539 30 10 IJEE COC(=O)c1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1309390815 IAGGYYLNUROHMA-SFHVURJKSA-N 448.544 4.668 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(OC4CCCC4)nc3)cc2)nc1 1310210801 IDAQQCVNKLHYSX-UHFFFAOYSA-N 429.480 4.784 30 10 IJEE CC(C)Sc1c(Cl)cccc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1310348742 GFAHERQCMHNCQB-BBRMVZONSA-N 438.981 4.721 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCO[C@H]1CCCC[C@H]1C 1315603406 DDEGVPYFDNLPLM-FZOAFFARSA-N 437.588 4.679 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352764833 VGDJLBRMOXKJMU-VQTJNVASSA-N 430.489 4.913 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 1352937981 DIBQRIXUGOENPQ-UHFFFAOYSA-N 431.923 4.962 30 10 IJEE C#CCN(C(=O)COCc1cccc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1353635628 UCYFJUQJCSIXTJ-LJQANCHMSA-N 448.744 4.605 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C 1355027548 OLOSWQFZXBHRCV-NRFANRHFSA-N 443.009 4.722 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC=C(COC)CC1 1358905932 POTHCLQJRRBCKR-UHFFFAOYSA-N 447.608 4.963 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 1358906815 UGBKNGXRZAAWKV-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1358988357 MAGDZKXWMPUSMC-VXKWHMMOSA-N 443.595 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1(N(C)C)CCCCC1 1359073123 DBNAXZDOIPXYJA-AREMUKBSSA-N 449.643 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1359073238 IBUUYTUNALIDSR-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(OC)c(C)c1 1359117914 CHZXUIQJHDONHL-UHFFFAOYSA-N 430.350 4.565 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H]2c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125331 ZDUXSSPBSOKPCG-HBMCJLEFSA-N 437.588 4.966 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCCOC2)CC1 1359167871 XPOZZPJLQLODKR-FQEVSTJZSA-N 445.007 4.835 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC1CCN(C(=O)OC)CC1 1359257895 ZVGIDCSLWMJORN-UHFFFAOYSA-N 449.555 4.518 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CSCCS1 1359258048 DUOBJAVIGJRNKO-FQEVSTJZSA-N 437.638 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)N1CCCCC1 1359267730 PZBCYMOKHPNTPU-UHFFFAOYSA-N 445.615 4.778 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCO1 1359277431 MBVIOVQZYUFTAG-JOCHJYFZSA-N 440.975 4.920 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1359280405 PRMSCLUOGDFMGF-KESTWPANSA-N 425.964 4.695 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)c2ccccn2)C1 1359318066 WMNPUEMUXFYCLO-GOSISDBHSA-N 437.975 4.753 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1)c1cccnc1 1359658355 AHSFBGYHZCNGGW-OAQYLSRUSA-N 436.510 4.887 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OC)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1360071482 ZUYGOHSKUQJAJY-FQEVSTJZSA-N 439.350 4.742 30 10 IJEE Cc1nc(COc2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)C)C4)c2)no1 1436522903 HSYXLUHTQBPBIV-OAHLLOKOSA-N 436.537 4.903 30 10 IJEE C=CC1(CC(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)CN(C(=O)OC(C)(C)C)C1 1441564072 RCMQYCOGSRWCED-LJQANCHMSA-N 427.589 4.813 30 10 IJEE N#Cc1cc(NC(=O)C2(O)Cc3ccccc3C2)ccc1Oc1ccc(C(F)(F)F)cc1 1444932378 HEMHIQKDFPTOHF-UHFFFAOYSA-N 438.405 4.838 30 10 IJEE C#CCN(CC1CC1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1446283386 VBGZIIBPSHLJEQ-UHFFFAOYSA-N 444.556 4.640 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)cc(OC)c1OC 1458322078 HGAVNDGGNNSDKG-XOBRGWDASA-N 448.357 4.701 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)nc2ccccc21 1458753439 AWNIAGIHBVAQRG-AWEZNQCLSA-N 429.567 4.888 30 10 IJEE C#CCOCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(Cl)c1)CCCC3 1458822395 BBIAASBKYOPZHK-UHFFFAOYSA-N 430.982 4.987 30 10 IJEE C=CC1(CC(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1465251329 JZWLHHYRBKKQMR-UHFFFAOYSA-N 430.442 4.530 30 10 IJEE C=CCn1c(SC[C@@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1cccc(C)c1 1472922123 RBJWHOPUQBREGA-QHCPKHFHSA-N 434.609 4.823 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 1479093669 PKKVBRRSGXADHM-UHFFFAOYSA-N 433.040 4.628 30 10 IJEE COCCC1(Cn2c(-c3ccc(OC)cc3)nnc2N(C)C[C@H](C)C#N)CCCCC1 1504767339 FRHNCIVINHZVQV-LJQANCHMSA-N 425.577 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2c(C)cccc12 1507545140 BQROBFGJXOEFPT-QTGUNEKASA-N 433.600 4.687 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1507811315 PQCQLZMKBMTRCR-YSNWRPKNSA-N 430.593 4.654 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1507825092 PBPQYXPMOHUSEX-SFHVURJKSA-N 432.494 4.785 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCSC2)C1 1507858602 GTZHMUHPAXQDEU-INIZCTEOSA-N 445.839 4.855 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(F)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1507919844 ROSPPWYUCPXMLW-DEOSSOPVSA-N 448.558 4.836 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1507958690 BDJAJHZVJOPPHI-JOCHJYFZSA-N 449.020 4.533 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1CC 1507999384 KDNUAZLWZZXDEZ-FGZHOGPDSA-N 427.556 4.626 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccco1 1508014692 CWQOTWHXMGHLQA-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@](C)(CC)C1 1508108797 LOXZKEDFSPUPNI-DEOSSOPVSA-N 438.597 4.549 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C[C@@H](C)C[C@H](C)C1 1513200717 DNNJOJWHGKCEOJ-ZPFZUWPUSA-N 436.648 4.926 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)c3ccccc3OCC#N)c2C(=O)OC(C)(C)C)[C@@H](C)O1 1517267976 AOMSXIVPYZENFR-UONOGXRCSA-N 442.537 4.880 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)COCCc2ccc(Br)cc2)c1 1520384732 GGMGAOHVQOGHAU-UHFFFAOYSA-N 438.321 4.816 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccsc1)c1ccc2c(c1)OCCO2 1524357744 IDBNYEGDGUGSGC-UHFFFAOYSA-N 437.517 4.696 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)cc1 1525573714 YSXNMZGIPOPKLX-UHFFFAOYSA-N 448.544 4.556 30 10 IJEE N#Cc1nc(NC(=O)c2cc(C(F)(F)F)ccc2Br)ccc1Br 1526374147 CDDRIOJUWCBYRP-UHFFFAOYSA-N 449.024 4.749 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 1526691345 DEMUFQFRZYRPJY-GCJKJVERSA-N 429.907 4.987 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1ccc(Br)cc1 1528081499 OBNSQGZDFXIHJW-SFHVURJKSA-N 438.325 4.901 30 10 IJEE C=CC[C@@H](OC(=O)CCn1nc(O)c2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 1530229375 MENOVLUPKJZGGL-GOSISDBHSA-N 433.291 4.660 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2cccc(C3CC3)c2)c(C(=O)OCC)c1C 1532544894 DOZNLABWPQUWOV-UHFFFAOYSA-N 427.522 4.635 30 10 IJEE C=CCCSCCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 1538476574 QUJANQPJSDJLTA-UHFFFAOYSA-N 437.409 4.949 30 10 IJEE Cc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1538985390 CDPGIKJTNNPCES-CRAIPNDOSA-N 427.570 4.989 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N(C)Cc1cc(Br)cs1 1539111613 YMTXIAHRZWGENE-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CC=CCO1 1539299548 KHXXJQDFSMMPJP-QGZVFWFLSA-N 436.968 4.621 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@H](C)C1 1539344743 IVQGGDJAELDJEI-MJGOQNOKSA-N 435.597 4.652 30 10 IJEE C=CCC[C@@H](C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)c1ccccc1 1539929804 BUZFRPWUGFXLCE-OAQYLSRUSA-N 439.357 4.738 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)c1ccc(F)cc1)C1CC1 1540093989 AYQSADLBXJDXPZ-RUZDIDTESA-N 442.579 4.590 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1540112053 SCKPXLMKINLKSH-UHFFFAOYSA-N 437.466 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCOC1 1540147139 JDUAUSXWQGNYOA-HXUWFJFHSA-N 438.597 4.846 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCSC1(C)C 1540180693 SPGIMCFVAGBVPF-LEWJYISDSA-N 426.630 4.549 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC1(OC)CCCC1 1540180870 XSUSEZZQPKCHRZ-UHFFFAOYSA-N 431.584 4.843 30 10 IJEE O=C(N[C@@H]1CCCc2nc(O)ccc21)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1540566595 GAHBAXKNVIZWEL-CQSZACIVSA-N 436.327 4.884 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1540735981 NVUQBWWDTSYEHO-FQEVSTJZSA-N 436.512 4.934 30 10 IJEE C[C@@](O)(Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)c1ccsc1 1541954176 DHENQKIQRPXCDS-JOCHJYFZSA-N 441.988 4.698 30 10 IJEE CC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)CCOCC1 1542016068 FRWPOXCYQHJTOE-UHFFFAOYSA-N 434.371 4.809 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCCCCC3)[C@H]2C(C)C)cc1 1562197208 GDANPNOINYOMLO-OAQYLSRUSA-N 433.618 4.706 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(CC(=O)N(CC)c3ccccc3)cc2)cc1 1562228718 SLEATKQZSKLPFN-UHFFFAOYSA-N 441.531 4.616 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21)c1ccc(F)c(F)c1 1564597632 YKTHTZRXRYLWGU-YGWPLHOASA-N 433.296 4.982 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)CC)C3)C1=O 1568184634 ZIPFVQVGXXZXJT-JPYJTQIMSA-N 433.596 4.635 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1583630275 AGSXXOOMBLGFFZ-CYBMUJFWSA-N 439.140 4.636 30 10 IJEE C=CCCC[C@H](C(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1586585917 CTRUBOOQVRHOQD-QHCPKHFHSA-N 442.559 4.972 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)CCCN1C(=O)OC(C)(C)C 1586853370 FOSKWWMELNQXJB-SIBVEZHUSA-N 449.551 4.844 30 10 IJEE C=CC(C)(C)CNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 1587318458 DSMVZBWPPSCQGS-UPVQGACJSA-N 436.552 4.517 30 10 IJEE CCCCc1ccc(C(=O)CCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 1587500773 HJUWZHDWOSHKCR-DEOSSOPVSA-N 435.543 4.540 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC(F)(F)C1 1588189717 QSWWWTGAUXZCQS-INIZCTEOSA-N 447.327 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCN(C)C1CCCC1 1589177872 PKHSOXUXBSFUJQ-HSZRJFAPSA-N 429.971 4.604 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](OC)C1 1593703897 NANLPLWZNNXYLL-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccsc2)CC1 1593722615 UJNOQEYDEUMXJX-UHFFFAOYSA-N 433.581 4.855 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1594478450 PZROZWLUTUBPRM-NRFANRHFSA-N 433.604 4.906 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1nncn1C 1594680453 SEWCVHTXQNBYBN-LPHOPBHVSA-N 441.967 4.508 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1C(F)(F)C12CCC2 1594906631 KCOXKQPMJGTOAJ-LBPRGKRZSA-N 429.334 4.827 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(C)cc1 1595184838 DGZUUYFQFUOTLK-UHFFFAOYSA-N 440.389 4.776 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)OC2CCCC2)cc1 1595608705 WVAOMRPWAKCKFY-UHFFFAOYSA-N 439.947 4.917 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)CC1 1595850952 VSZPDDCJPLLQPJ-UHFFFAOYSA-N 427.437 4.925 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(Br)c(C#N)c2)cc1 1595874366 BHIRKDYNTFNACQ-UHFFFAOYSA-N 430.302 4.849 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4c(Cl)cccc4Cl)CC3)cc2C1=O 1595920979 DEGKMYHEKBVFOG-UHFFFAOYSA-N 443.330 4.795 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)C(C)(C)C 1598261093 LAZHDYONAJAZEX-UHFFFAOYSA-N 428.945 4.533 30 10 IJEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1ccc(SCc2ccccc2)cc1 1617071425 DPJDBHSVKLOHBO-UHFFFAOYSA-N 425.517 4.743 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)C1 1617475213 BOSGVMNFKDXXGT-DFQSSKMNSA-N 427.643 4.680 30 10 IJEE COCC1(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CCC1 1619641899 BORMNVJRTBUEFU-NHCUHLMSSA-N 443.636 4.534 30 10 IJEE Cn1cc(CN[C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1621244913 AWDIWYIXLSDABD-WWNPGLIZSA-N 449.599 4.617 30 10 IJEE O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(C(F)(F)F)c(O)n1 1623306691 NVFHQONJQDWIMB-UHFFFAOYSA-N 440.250 4.589 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCC)c1 1623863067 HHROBZWEQVLHAY-UHFFFAOYSA-N 439.455 4.544 30 10 IJEE CCN(CC)[C@@H](CNC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(C(F)(F)F)cc1 1625751986 GSFUMAQRRKGZLF-UNMCSNQZSA-N 431.502 4.977 30 10 IJEE O=C(NCc1nccnc1Cl)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1625883921 BSEOCBPJOMJZPC-UHFFFAOYSA-N 430.711 4.741 30 10 IJEE C=C[C@H](C)ONC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 1628287041 LELBUWQYMALDOF-INIZCTEOSA-N 428.492 4.640 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 1634209733 ZHGKEWYMXOSSKU-GOSISDBHSA-N 436.046 4.717 30 10 IJEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C)C(C)C 1635357077 DHSMTQGNIWQFAY-QHCPKHFHSA-N 426.582 4.526 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC[C@@H](C#N)C1)c1cccc(Cl)c1Cl 1637736165 CAQWLPDCXZASHG-SUMWQHHRSA-N 426.344 4.664 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3ccc(C)cc3C)CC(C)C)ccc2c1=O 1639764373 UYCQFRWWDJPUNE-UHFFFAOYSA-N 435.593 4.786 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 1640959371 PONZSERBJHSKLU-INIZCTEOSA-N 443.371 4.833 30 10 IJEE COC(=O)c1ccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)cc1Cl 1653642683 GVCXPOPTWQZNHZ-UHFFFAOYSA-N 446.894 4.787 30 10 IJEE C#CCN(CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCCc2ccccc21 1655692554 NPMADYVXHWRLOX-HTAPYJJXSA-N 430.470 4.775 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N[C@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CCCC3 1656066886 JAKJWYAHTGQCTD-RDTXWAMCSA-N 433.643 4.554 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)cc1 1658659107 LZBGYOHMMRAGLH-MHZLTWQESA-N 446.595 4.535 30 10 IJEE C[C@H](CN(C)C)[C@@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1668146062 BAINLLBIGFTXQC-JPYJTQIMSA-N 438.547 4.860 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2nccc(C)n2)cc1)c1ccc(Br)cc1 1669320988 QUULWMPXYKNSHL-LJQANCHMSA-N 437.297 4.836 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)c(F)c1 1671852220 TWKIBCWPJOMBDF-QPPBQGQZSA-N 443.494 4.682 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C 1671938520 AHPHLMIPLWBFAP-OAQYLSRUSA-N 435.490 4.715 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 1674027027 GEWZTCAFPGMKJO-UHFFFAOYSA-N 439.515 4.865 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)C3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)cc21 1674679859 UZGITXIARQYUAY-YOFSQIOKSA-N 439.560 4.617 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCC[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc21 1674685177 NCAGPVVUNKFZKT-SFHVURJKSA-N 441.576 4.771 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12 1676315976 XQKLILXJKKOMOL-UHFFFAOYSA-N 430.458 4.625 30 10 IJEE C#CC[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1677240420 LQTCWKIWCVOSIT-XZOQPEGZSA-N 439.987 4.556 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccc(F)cc1 1683498872 XKYVLLCFXVVXAY-RTBURBONSA-N 425.262 4.729 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)C1 1684064885 CPQNNAPLJXTREK-SIKLNZKXSA-N 427.589 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCOc1ccccc1C 1689838351 YIEQCDNMGGGKTA-HNNXBMFYSA-N 445.386 4.614 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1csc(CC)n1 1689842190 WAWDKZPYVBYXIU-SFHVURJKSA-N 437.613 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC[C@@H](C)C1 1689847908 KWDCSELNVCIGCO-RTWAWAEBSA-N 446.599 4.570 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1689892734 MMBMHUAQXORCJB-UHFFFAOYSA-N 429.008 4.812 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCSCC(C)C 1690066433 GNOGERZZWJTTQQ-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](C)(CC)C1 1690222972 ANYIVBIARLMRDH-OAQYLSRUSA-N 449.393 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CC)CC1CC1 1690241420 SABGIXBVXBLCPQ-UTKZUKDTSA-N 430.980 4.825 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCC=C(Br)C1 1690304403 AIXFBBCBLXILFB-UHFFFAOYSA-N 443.345 4.773 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1690417012 ASAQYYVKQCOTBF-JOCHJYFZSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CCCO)CC1 1690436369 QDUDREXUUSQJNL-UHFFFAOYSA-N 435.616 4.941 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1690561235 IHKFKPMIQJSMMC-WXFUMESZSA-N 449.599 4.645 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC1(OC)CCCCC1 1690602131 IWNDDBTTXIXNTC-UHFFFAOYSA-N 431.584 4.925 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(OC(C)(C)C)nc1 1705485878 RIKXJDNSJOXBLI-GOSISDBHSA-N 440.551 4.572 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCN1CC 1705603953 BCXYFLQATGTZDB-FPOVZHCZSA-N 444.023 4.632 30 10 IJEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCCC1(F)F 1705622328 FLEGWDUJKLGCDU-OAQYLSRUSA-N 442.554 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)C1 1705696897 IXXVMBVEQGADTI-IKVWTGGYSA-N 430.980 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC(C)(C)C1 1705698565 WCCMHQHPUDKJBW-GCJKJVERSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC(C)(C)C1 1705698567 WCCMHQHPUDKJBW-XMSQKQJNSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 1705719949 QTZJUDGWRSCPGI-UHFFFAOYSA-N 449.452 4.861 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705738444 YFJKNNWKCKIYCA-UHFFFAOYSA-N 437.632 4.547 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1705741317 MLQZWUZCTZYEGG-UHFFFAOYSA-N 448.398 4.809 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOc2ncccc2Cl)CC1 1705765352 HULGMXILAZSLQQ-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H](C)c2nccs2)CC1 1705772716 YQSTWFUPBJVPAC-SFHVURJKSA-N 439.585 4.672 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCC)CC1 1705783087 RWEUAIRLFXBWTE-QFIPXVFZSA-N 428.024 4.799 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1705851212 YGYQKXZIIKPPSI-SFTDATJTSA-N 432.616 4.730 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCSC[C@@H]1C 1705941234 DKVZRGINCKBRQS-KRWDZBQOSA-N 448.658 4.602 30 10 IJEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCOC1CCCCCC1 1711143876 DZIXIRWHYSOQER-QHCPKHFHSA-N 437.588 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1c(CC)noc1C 1722301534 CAYFABODILEFGN-AWEZNQCLSA-N 429.977 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(C)CCCS1 1722401650 GKJZKOHKENAFLB-JOCHJYFZSA-N 445.057 4.972 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1722455207 QBCRQCLIVSYGIY-QHCPKHFHSA-N 437.569 4.546 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C)C1 1722479173 GDWCYYFJRZSCOW-LBPRGKRZSA-N 440.183 4.853 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(C(=O)NCC)CCC1 1722506138 RDZFFUOPLYKLBL-UHFFFAOYSA-N 446.599 4.511 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1722548397 DQVGXYLVHIJZRP-OAHLLOKOSA-N 432.981 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722587322 KGNCHHYGTQMIKE-UHFFFAOYSA-N 437.632 4.939 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722602417 AESUBGQCYDPZPJ-OAQYLSRUSA-N 437.510 4.535 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCCN(C(C)(C)C)CC1 1722612617 XQEPMNNTZZCXPD-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1C[C@@H](C)O[C@H](C)C1)C1CC1 1722653891 MXQBFYCRXKYEEZ-IAGOWNOFSA-N 430.980 4.869 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1722673069 HREYDCHGJQUHOQ-BKMJKUGQSA-N 433.600 4.866 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](SC)C1 1722708255 NTXCYLFTSXSESY-JOCHJYFZSA-N 449.624 4.599 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[C@H]2CC)C1 1722714289 KDEZTBZHSSGAGY-SFHLNBCPSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(C)C)C1 1722732745 OAEIPLOZDIKMTR-RBBKRZOGSA-N 444.645 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1740536155 ZWXSOEORKBZZIJ-RTBURBONSA-N 444.023 4.794 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)COC 1740680164 SZQIKHUWYXIZRP-UHFFFAOYSA-N 447.004 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC(C)(C)CCOC 1740735623 WWCXBCBMNHLBJS-XMMPIXPASA-N 442.629 4.634 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc2ccccc2[nH]1 1740803034 GCWXEMNICDZPGL-UHFFFAOYSA-N 445.752 4.906 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740834827 JHKNYUSUYXLZHN-NRFANRHFSA-N 439.604 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)S[C@H](C)C1 1740846516 BPMZAHCXWCNBBV-CALCHBBNSA-N 430.618 4.895 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCC 1740863197 RLBKANLGQJBMQB-RTBURBONSA-N 435.613 4.568 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(N(C)C(C)=O)CC1 1740870466 ORGUGYVHCBCXNE-QGZVFWFLSA-N 441.645 4.545 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCc2oncc2C1)C(C)C 1740925948 FAHNDTRLLGJZRA-QHCPKHFHSA-N 446.599 4.503 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1740943297 DONVEFQMUSBIJE-OAQYLSRUSA-N 439.604 4.842 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1ncc(C)s1 1748639559 JHWJJUKECRYXNH-VYDXJSESSA-N 427.549 4.584 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1748702589 LYJRJIVZPDZMMS-UHFFFAOYSA-N 449.643 4.741 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOCC2(CCC2)C1 1748762701 POCKHYVXCHJZTE-UHFFFAOYSA-N 431.005 4.644 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)c1cccs1 1748898784 SLIUTDITEPOCQW-UHFFFAOYSA-N 446.620 4.574 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCCOC1CCCCC1 1748948029 FGIRWFIVPMANOJ-HSZRJFAPSA-N 440.563 4.648 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1749033022 XXOQVVZZWIQGOC-QGZVFWFLSA-N 440.642 4.540 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CC(CC)(CC)SC 1749072737 VGHAUDPNCSWWKW-HSZRJFAPSA-N 426.630 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](SCC)C1 1749127397 LLHILWYXHULFSO-ONTIZHBOSA-N 441.645 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](CC)C1 1749136327 MAPPMDRCMVNNLC-SVMVAKDDSA-N 430.980 4.728 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)nnc1C1(c2ccccc2)CCC1 1749207182 FQMNUASKTNKHNX-FCHUYYIVSA-N 449.643 4.845 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1749219758 ROGWHUHKHLHFLZ-CTNGQTDRSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1749345683 QUTUWETVWHSVDC-GOSISDBHSA-N 437.613 4.812 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(=O)NC(C)C 1749356122 XOYNOUAZLYLVTF-UHFFFAOYSA-N 443.661 4.839 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)c1ccccc1 1749383554 ZUKXRFZMPXHVQD-OAQYLSRUSA-N 430.600 4.785 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@@H](C)C1 1749452195 RBAFXHADUQBTDY-CALCHBBNSA-N 433.394 4.783 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCOc2cccc(Cl)c2)C1 1749718362 VHSZSMBGPMNPIG-OAQYLSRUSA-N 430.980 4.525 30 10 IJEE C=CCSCCn1c(N2CCC(Oc3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1749763586 CPGKOLJZAIJEKC-UHFFFAOYSA-N 430.618 4.551 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccnc(OC2CCCC2)c1 1760121576 WROWBOHDZFSZHC-NRFANRHFSA-N 443.595 4.676 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)C[C@@H](C)C1 1760274722 MQNOKOJXORYSQW-OPYAIIAOSA-N 426.630 4.884 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](C)C1 1760284406 LSWMQSKPZLNMEQ-FQEVSTJZSA-N 426.630 4.892 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnc1C(C)(C)C 1760327149 CLRZCZDQEXENCW-RXVVDRJESA-N 439.560 4.634 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2cccs2)CC1 1760406269 ZBLWURPHIJYXSC-DRMXPCRNSA-N 444.645 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)CC(N)=O 1760407079 TXYYPQXGPPOGLM-GOSISDBHSA-N 448.615 4.655 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)=C(C)C1 1760446439 RQNNQONKIPYQRL-UHFFFAOYSA-N 437.407 4.908 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@@H]1C(C)C 1760482621 KLCFJOSGBZHTBD-ZEQKJWHPSA-N 445.611 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1cc(F)ccc1F 1760486895 CVVWNXOYRQBJRZ-INIZCTEOSA-N 430.524 4.753 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@H]1CCCC[C@H]1C 1760497512 IOGOWFGSVZJSOB-YUMYIRISSA-N 430.637 4.970 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1760507502 KRXUKSMYGIEZDS-HNNXBMFYSA-N 427.574 4.673 30 10 IJEE CC[C@H](C)[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)OC 1763436563 GFKCFLXACDSPEU-CSODHUTKSA-N 445.995 4.873 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1c(C#N)cnn1-c1ccccc1 1859479607 XGIZQKDCIHLKIZ-GFCCVEGCSA-N 445.704 4.566 30 10 IJEE N#Cc1c(O)nc(SCC(=O)Nc2cccc(Cl)c2)nc1-c1cccc(Cl)c1 1860463845 WILCXVRPDNIOGR-UHFFFAOYSA-N 431.304 4.758 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1C#N 1860660360 WXIINUJBMSFAGN-ZDUSSCGKSA-N 431.508 4.686 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1cccc(OC(F)(F)F)c1 1860731409 OLCHUNBHJPHRIF-FNORWQNLSA-N 432.167 4.708 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1c(C)ccc2ccccc12 1860990256 GOBHKFLNULNBDK-ISKFKSNPSA-N 438.612 4.981 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(CC)cc2)cc1 1862391122 SPJKGODMSLQSQH-DEOSSOPVSA-N 434.580 4.732 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862432652 JUZAMJXHDPMINN-IBGZPJMESA-N 442.302 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1Cl 1862435391 VGROORPGSWCNGJ-OAQYLSRUSA-N 439.895 4.632 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)cc1 1862475769 UJNYRQCHPMDMIX-XMMPIXPASA-N 437.499 4.692 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862555957 LVSGKRPQXIQSNK-XMMPIXPASA-N 444.506 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862592301 ZXYXLHHHGYVKST-QFIPXVFZSA-N 449.890 4.703 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 1862652418 ILAOFOMLWCFAEY-HSZRJFAPSA-N 429.472 4.598 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675261 GBAWHXVZCQQIDO-OAQYLSRUSA-N 444.934 4.789 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 1862716033 WQQKWYSJHQESOS-XMMPIXPASA-N 446.522 4.899 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(F)cccc1Cl 1862737301 FSQUZPDXCRELSQ-SFHVURJKSA-N 432.835 4.766 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)cc1 1862938747 UEPACIFUBMIOFL-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1sccc1C 1864510161 NXMIYVHJGILLEY-SFHVURJKSA-N 430.618 4.524 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C)[C@@H](c3ccccc3)C2)nc(-c2ccc(F)cc2)n1 1869282999 XQVMXRQVLBSDBT-XMMPIXPASA-N 443.570 4.954 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)n(-c2ccccc2)n1 1870000399 OIVILVRAUJKPHD-UXHICEINSA-N 433.943 4.841 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2F)n(-c2ccccc2Cl)n1 1870004163 XBDXKYYNGFFBOY-UHFFFAOYSA-N 447.848 4.769 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)c1cccc(Cl)c1 1870159109 GFIJDNFVKJRGPT-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CN(CCC)CCCC 1870761000 OEFFJHZDGQQUGX-UHFFFAOYSA-N 439.600 4.681 30 10 IJEE C#CCOc1cn(Cc2ccco2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871008442 WIBZSAPWCOICAF-UHFFFAOYSA-N 436.817 4.786 30 10 IJEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1871242656 UELKYOXHYMBZFC-UHFFFAOYSA-N 437.927 4.837 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O3)CN(CCN(C)C)CO2 1871346577 MUAXPXZCCADDNR-GRSHGNNSSA-N 433.335 4.632 30 10 IJEE Cc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C4=O)cc1 1871347899 CEDNFDIKOYHIOS-OYKKKHCWSA-N 442.471 4.914 30 10 IJEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871373914 LJRHMYOMEOWQFM-JAIQZWGSSA-N 446.371 4.647 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871489727 IMSUCIYJPXMJBL-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCCC 1872159842 IXVFAEIQVMJUQF-HSZRJFAPSA-N 449.661 4.792 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCCC 1872206894 FEMYIZOPUIGHLC-FQEVSTJZSA-N 428.598 4.997 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872449501 PTIDLKJVLYEAOV-CQSZACIVSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872519918 MUYICMDEVFLQKE-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872520995 BZQJQBWWHHXPGG-JPYJTQIMSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccccc1 1872553266 BXJLKGRQCWRRPB-JOCHJYFZSA-N 446.638 4.631 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccccc1OC 1874242891 CYVALFROTJXGMN-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(C(=O)OC)cc2)cc1 1874257665 MKHVIXQVCGBWLU-BUVRLJJBSA-N 438.553 4.590 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccncc1 1874423423 LHUFJUJQRTXXKD-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(F)(F)F 1874458651 YZDVJKSSZVVNAZ-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCOc1cc(/C=N/n2c(SC)nnc2C(F)(F)F)ccc1OCc1ccccc1 1874458920 MOUMUHFEGJEXQB-WYMPLXKRSA-N 436.459 4.879 30 10 IJEE COCCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(Br)c1 1874472658 QIUZEIBIKSNFLK-WSDLNYQXSA-N 449.349 4.543 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(O)c2)cc1C 1874483458 XEQVKFHYSFZYLP-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(N(C)C)cc1 1874494507 PXGCFGYBWWAQND-MFKUBSTISA-N 448.596 4.533 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C2CC2)cc1 1874516217 MFVQDINSGVOEPC-MFKUBSTISA-N 433.581 4.893 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nncn2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 1874538107 NRYFLRVBILSYLD-AFUMVMLFSA-N 445.504 4.940 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCC(=O)OCC(C)C 1874595154 XCHVMXQAJFRMEC-VQHVLOKHSA-N 447.325 4.932 30 10 IJEE COC(=O)COc1c(OC)ccc(/C=C/C(=O)c2ccc(C)cc2C)c1Br 1874596174 IDYAXXZMGXJPQX-RMKNXTFCSA-N 433.298 4.522 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1nccs1 1874611056 ZJIVYGIIUWVLBJ-LREOWRDNSA-N 443.868 4.618 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cnccn2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875132722 KYDWKHHFZVDQPK-ORCRQEGFSA-N 444.230 4.807 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)cc1Cl 1875188912 PAOIDNCZIRZLDC-GORDUTHDSA-N 438.823 4.767 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC(C)(C)[C@H]1C#N 1901486716 YJONYOFVUUZJEU-BJKOFHAPSA-N 445.563 4.844 30 10 IJEE C=CCC1(NC[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924542208 RAIQBCPGULXVPA-RTBURBONSA-N 437.625 4.567 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](O)c2c(Br)cccc2Br)C1 1991985016 BJZOEXFNTMHQHT-AWEZNQCLSA-N 447.167 4.859 30 10 IJEE C=CCC1(NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 2022165729 HVQCGBOOSBZQQJ-HSZRJFAPSA-N 437.625 4.569 30 10 IJEE O=C(C=CC1=N[C@@H]2C=CC=C[C@@H]2N1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2040466008 ZPUVJZNDCUXXBJ-BGYRXZFFSA-N 427.891 4.865 30 10 IJEE C#CC[C@H](C[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C1CC1 2076090273 AZLWANSYDCEZNA-DXBVXKBHSA-N 439.644 4.574 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2110507262 QUGOGGRJKIYCIE-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2110509568 KOFLKXYLNBYPCD-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE C=CCC1(NC(=O)c2cc(C)sc2Br)CCN(C(=O)OC(C)(C)C)CC1 2118141749 KQYICPJLYWRTJA-UHFFFAOYSA-N 443.407 4.895 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2136313803 BDCABIWDVBBQQL-QZTJIDSGSA-N 427.383 4.968 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)c(F)c1 2142176272 YQUMOFMVUYEZQF-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE C=C[C@H](C)C[C@H](NN)c1sc(Br)c(Br)c1Br 2212190510 YLIVMRSWPXKLPJ-WDSKDSINSA-N 433.007 4.752 30 10 IJEE NC[C@@H](CC#Cc1sc(Br)c(Br)c1Br)C1CC1 2216398622 XNYRYMORSYVFFH-MRVPVSSYSA-N 442.014 4.762 30 10 IJEE CCN[C@H](C#Cc1cccc(Cl)c1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216975863 WTMGXFOAZYZZKO-DHIUTWEWSA-N 442.987 4.780 30 10 IJEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2219965795 WHILCKMYNHRHSV-VAMGGRTRSA-N 440.462 4.531 30 10 IJEE C=CC[C@H](COc1ncc(C(F)(F)F)cc1Br)NC(=O)OC(C)(C)C 2224054689 MTOASKRVKCHNMD-LLVKDONJSA-N 425.245 4.711 30 10 IJEE CCCN[C@H](C#Cc1ccc(C)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2231140382 MNADZHOFADIJQZ-CLJLJLNGSA-N 449.639 4.740 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2235719521 FXYBUAKZNBSVCS-PKOBYXMFSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1C(=O)C#Cc1ccccc1Br 2235727800 ZGEUGEXHADXOKX-LJQANCHMSA-N 432.358 4.940 30 10 IJEE CCC[C@@]1([C@@H](N)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235730356 OJYYTWAMSHDCOZ-SIKLNZKXSA-N 435.406 4.945 30 10 IJEE C#CC[C@@H](C[C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237402500 LBPJCIUVTAOOPG-SXLOBPIMSA-N 435.406 4.652 30 10 IJEE N#CCCN(C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 2243929909 VPGVBTOUIRYXLB-UHFFFAOYSA-N 439.515 4.862 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)CC[C@H]1CC 2261959370 REETXSHWJBSCDR-BWKNWUBXSA-N 447.572 4.657 30 10 IJEE CC1(C)OB(c2cccc(Nc3cc(F)c(Br)c(Cl)c3)n2)OC1(C)C 2266763515 FGVWNXFNVDBGEY-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2267555271 LNSZIRYGQMKEOC-IYARVYRRSA-N 444.381 4.864 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)c(Br)c2)[C@H](C(F)(F)F)C1 2281040202 ICALHAZLKJXTRQ-DOMZBBRYSA-N 448.283 4.745 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2296215846 FCGUOKXNASUNDH-IYWMVGAKSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(O)C#Cc1cccc(Br)c1 2296220026 UIBQLDRMFSKPAV-YZKRDWPBSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@@H](N)C#Cc1cccc(Br)c1 2296220174 VNPAMXJEMLNHMV-YZGWKJHDSA-N 435.406 4.992 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2296267306 ROKZOMOXGVJSHE-ILZDJORESA-N 435.406 4.814 30 10 IJEE CCCC1([C@@H](C#Cc2cccc(Br)c2)NC)CC(NC(=O)OC(C)(C)C)C1 2296279783 SJYJBLWKEIYGAP-GSVIPDFHSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CC[C@@]1(C)NC(=O)OC(C)(C)C 2296283000 BHQBCTVKGGINJZ-BVYCBKJFSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2296294565 VTPSVQYHPJMWQN-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE CCN1C(=O)C(=C2C(=O)N(C)c3ccccc32)SC1=Nc1nc(-c2ccccc2)cs1 2314544070 SIPGRPSJFVCIAP-UHFFFAOYSA-N 446.557 4.781 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2-c2ccco2)cc1OCc1cccc(Cl)c1 2321903973 XKVVOMVRSMBBAE-UHFFFAOYSA-N 440.912 4.950 30 10 IJEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1OC(=Cc1ccncc1)C2=O 2323232090 ADWXPBJZTVDDGK-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-])Nc1ccccc1 2324244867 JEWJKKAWJQLTAL-UHFFFAOYSA-N 438.386 4.787 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCCCO)c(OC)c2)c(OCC)c1 2324478277 CJDJQDBJJMBYCB-UHFFFAOYSA-N 434.916 4.803 30 10 IJEE CCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324879333 CWFGYOBGLKFLOR-UHFFFAOYSA-N 449.503 4.926 30 10 IJEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccn1 2325808858 JQGMFMDRKCZMQZ-UHFFFAOYSA-N 429.977 4.949 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccccc1OC 2326846286 CYVALFROTJXGMN-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2327976771 CXPDWIDLLKZXHP-UHFFFAOYSA-N 442.972 4.872 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1cc(OC)ccc1OC 2329339611 KXKGSHRZXYXBJA-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE CCc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCC(=O)N(CC)CC)cc1 2329931308 IPEWSXYPCFVAQO-UHFFFAOYSA-N 449.624 4.582 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c([N+](=O)[O-])c2)c1 2330785583 MHYLUQUWVVAFKL-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1cccs1 2331436332 PLCBFRGOXDNYFW-UHFFFAOYSA-N 438.457 4.609 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1cccc(F)c1 2331443597 VXJJMTRAIUXTFN-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2331860833 WGMKWTCKVBVJMG-IBGZPJMESA-N 436.247 4.882 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339589150 SIYXIEGNNGCKDC-XQQQZFNWSA-N 441.381 4.536 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 2358671283 HAHMIXBWVNMTIF-XWFZLUIHSA-N 435.406 4.720 30 10 IJEE CC1(C)OB(c2cc(Nc3cscc3Br)nc(C(F)(F)F)c2)OC1(C)C 2365132506 ZUPOCOXKVFQNAR-UHFFFAOYSA-N 449.101 4.967 30 10 IJEE CC(C)n1ncc(Br)c1CC1(C#N)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2368167243 WGYRWFLOVPKAKX-DBIVSCPCSA-N 437.382 4.841 30 10 IJEE CC1(C)OB([C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)C2)OC1(C)C 2368339001 ZVMDJQYSVKOAPF-JTQLQIEISA-N 440.585 4.504 30 10 IJEE Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3ccc(C)c(C)c3)c3ccccc32)cc1 3041371 DAJYRBXJIKBRBJ-VYIQYICTSA-N 428.561 4.849 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1ccc(OCCC)c(Br)c1 9697051 MFSLCBXJINSBJG-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE CCOC(=O)C1=NN(c2ccccc2)C(=C2C(=O)c3ccccc3C2=O)[C@H]1c1cccs1 13465533 DOTXSOYOEAKRGS-IBGZPJMESA-N 442.496 4.604 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)cc1 20906774 BQBJPZKEKIMJOG-FVQJWRHTSA-N 438.557 4.591 30 10 IJEE Cc1nn(C)c(C)c1CN/C(=N\C(=O)c1cccc(N(C)C)c1)Nc1ccc(C(C)C)cc1 32972288 LFSBIQIVMNRECP-UHFFFAOYSA-N 446.599 4.624 30 10 IJEE CC(C)c1ccc(/C=N/Nc2nc(-c3cccc(S(=O)(=O)N(C)C)c3)cs2)cc1 33960049 AATIRXZVIOTUBC-LPYMAVHISA-N 428.583 4.630 30 10 IJEE C=C(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccc(/C=C/C)cc1OC 35144606 MRSSUORLZIISKV-WEVVVXLNSA-N 433.552 4.782 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccccc3)oc12 39756914 VIFOOSBNCQPVMN-QFIPXVFZSA-N 440.455 4.615 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)cc(C)c2C1=O 41250177 ATDMXFKJSCYKFU-JMIUGGIZSA-N 426.465 4.589 30 10 IJEE CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1cn(CCC#N)c2ccccc12 71935505 WRLLYDJBEXNYEB-DHZHZOJOSA-N 434.927 4.998 30 10 IJEE COc1ccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC(F)F 72020997 VHNVCMGJZNQYGM-UHFFFAOYSA-N 438.430 4.677 30 10 IJEE Cc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)C[C@@H](C(C)(C)C)CC4)C2=O)cc1 100583720 JIRQRVYPWDZGMF-RXVVDRJESA-N 433.577 4.837 30 10 IJEE C=CCn1c(-c2sc(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)nc2C)n[nH]c1=S 105702282 OMCSUKBLSXRLCO-STQMWFEESA-N 431.974 4.954 30 10 IJEE COc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)c1OCc1cccc(C)c1 169906817 VBQIXENMOFSLNT-MFKUBSTISA-N 438.549 4.512 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)c1 169954174 RJQLRTNBYTVMPJ-XMMPIXPASA-N 442.515 4.853 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cn(C)c3ccccc23)ccc1F 170084486 VBGDYHKRLOJOKE-QHCPKHFHSA-N 444.462 4.997 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(O)cc1 170137474 IHGIZRLBALRXMH-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccn2)cc1 170171370 DPKZREQJIYYULC-HSZRJFAPSA-N 444.487 4.605 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)cc1C 170237457 NMEUNDTUAJVHBQ-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccc(C)o1 170298845 WNEKDINOBPJDFQ-LJQANCHMSA-N 447.915 4.562 30 10 IJEE N#Cc1cc(Sc2nnc(-c3ccco3)n2Cc2ccco2)nc2ccc([N+](=O)[O-])cc12 302615740 CLBZTIHESDDWEI-UHFFFAOYSA-N 444.432 4.659 30 10 IJEE CC(C)(C)[C@@H]1CSC(=Nc2ccc(I)c(Br)c2)N1 393990136 KTKHHTFFFVGNLS-NSHDSACASA-N 439.160 4.792 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 406135709 OWFVKKXAPDDTEQ-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE C=CCC[C@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(F)(F)F)cc1 441572365 WOZRBLULQNBHHX-FQEVSTJZSA-N 434.458 4.974 30 10 IJEE C=CCn1c(SC[C@@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1ccccc1OC 443462303 QQJVIWGOSMGVNF-INIZCTEOSA-N 449.498 4.854 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508478447 RRCXABGIMXJKRQ-DLBZAZTESA-N 440.523 4.634 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 517554474 RTZDUTUZKYHEKZ-QFIPXVFZSA-N 448.910 4.901 30 10 IJEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc(Cl)c1O 526802902 NJTKRRYLMYLZLD-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1nc([C@H](C)OC)no1 549326340 NEEKIDQMPUADFS-HNNXBMFYSA-N 442.589 4.578 30 10 IJEE C=CCn1c(SCC(=O)c2ccnc(C(F)(F)F)c2)nc2sc(C)c(C)c2c1=O 574837744 XYSQUNOJDKSMBG-UHFFFAOYSA-N 439.484 4.650 30 10 IJEE N#Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 585872028 UAPIPEMCNRKEDS-UHFFFAOYSA-N 440.503 4.777 30 10 IJEE N#Cc1c(NC(=O)C[S@](=O)Cc2c(Cl)cccc2Cl)sc2c1CCCC2 586348499 MRRKAMUUPXXWNT-AREMUKBSSA-N 427.378 4.693 30 10 IJEE C=CCN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nc(C(=O)OCC)cs1 609643195 BGHXHTLYAAAUBZ-UHFFFAOYSA-N 447.516 4.603 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 698960575 GWRSQHQSBCXSDA-IIBYNOLFSA-N 436.557 4.996 30 10 IJEE COc1ccc(Br)cc1CC1(C=O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 712724765 JEYLUOPSMUNOGO-QRTHJKPMSA-N 438.362 4.747 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)c2sccc2C#N)C1 730504817 LJVPBNWKKMGWBF-LJQANCHMSA-N 425.554 4.662 30 10 IJEE CS(=O)(=O)c1ccc(-c2nc(CSCc3cc(Cl)ccc3OCC#N)co2)cc1 761325946 HQXPWUKXIWPTLM-UHFFFAOYSA-N 448.953 4.734 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CCCF)C2=O)cc1 767722336 PKASSXCNUXXKQA-FQEVSTJZSA-N 441.528 4.518 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)n1 789100451 NRQDSOMQCQZCEX-QHCPKHFHSA-N 442.991 4.649 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cccc(OC)n2)[n+]2ccc(C(C)(C)C)cc2)c1 811724854 UFTGRRZZKBKNDU-UHFFFAOYSA-O 444.580 4.980 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1)c1ccc(Cl)cc1 812913936 CEIGBOJIXOETMC-XZOQPEGZSA-N 426.944 4.568 30 10 IJEE C=CCN(CCC#N)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 816803010 IFGJTBUEOXMOBH-UHFFFAOYSA-N 432.780 4.721 30 10 IJEE C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 916719611 FQPUKCRJXAEDBZ-UEAMBXKFSA-N 442.585 4.505 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)OC/C=C/c2ccccc2)n[nH]1 1084343117 NGQZLCRJBCHFEE-LDPQOYOLSA-N 433.537 4.655 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnc2c1ncn2C)c1ccc(C)c(C)c1 1124534939 DZJFRYHFHCKVRV-UHFFFAOYSA-N 426.520 4.997 30 10 IJEE COC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(N(C)C)c1 1128034124 GIFVWBGFOXCZDS-UHFFFAOYSA-N 429.476 4.650 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1c(C)ccc(F)c1N)c1ccc2c(c1)OCCO2 1136697786 FRCXIPGXQKELLP-UHFFFAOYSA-N 448.494 4.899 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)[C@H](C)c2cc3ccccc3o2)s1 1142229532 MTNDGCLSFUSSHQ-MRXNPFEDSA-N 446.594 4.501 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@H](C)C3 1188455663 SYUZDXJFSJIEOH-IFXJQAMLSA-N 442.606 4.610 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cccc(CN2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 1208131603 OENVCYGZJILOCR-HXUWFJFHSA-N 448.489 4.762 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1228086423 HOTWJEWYIIKTIQ-VXKWHMMOSA-N 440.588 4.531 30 10 IJEE C#CCN(C(=O)NCCc1sccc1C)[C@H]1CCOc2ccc(Br)cc21 1230869016 DDLNUWFLAGCELI-KRWDZBQOSA-N 433.371 4.530 30 10 IJEE Cc1cc(C#N)cc(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)n1 1274124419 HRDVFCPQYPUYFO-HXUWFJFHSA-N 440.272 4.922 30 10 IJEE C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1277207423 BKGCPIXXNYHHOF-SNVBAGLBSA-N 428.348 4.609 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286317917 QDSOMHWZTYYHOU-SFHVURJKSA-N 443.998 4.852 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1286541927 GAKUVTVYGITURT-OAQYLSRUSA-N 444.377 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC1(C)C 1286549734 BHOGKVCDLMYNKY-LQWHRVPQSA-N 428.552 4.917 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@H]1C(=C)C 1286566758 IRSPOXSLHQDVJT-IPJJNNNSSA-N 428.552 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1286573473 MCKNWEDFNWWYNQ-JOCHJYFZSA-N 447.583 4.575 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2csc(C)n2)CC1 1286638628 HQTANYRVJZVRKD-UHFFFAOYSA-N 444.402 4.872 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C)CCOCC2)CC1 1286656664 PLMGCUBBYQSKJU-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cc(C(C)(C)C)no2)CC1 1286659748 XHPVIATZAOCCBG-UHFFFAOYSA-N 435.572 4.614 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCCC2(C)C)CC1 1286664823 ISKBHLIFVHOSMI-AREMUKBSSA-N 438.616 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccc(F)cc2C1 1286667697 TXZVIHJQPDBHRZ-UHFFFAOYSA-N 427.568 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286669206 XXVYPYCJBWDZEY-SFHVURJKSA-N 442.007 4.696 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286695362 VJWLJIDBNQINMF-PXNSSMCTSA-N 438.551 4.771 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)c(O)c1 1286704966 LDRNASIJBDZEEH-WIYYLYMNSA-N 428.577 4.514 30 10 IJEE C=CCn1c(N(Cc2ccco2)Cc2ccc(C)s2)nnc1[C@]1(OC(C)C)CCOC1 1286778226 VQYJJVCORQVXBL-QHCPKHFHSA-N 442.585 4.674 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(C)(C)C)CC2)cc1 1286797458 XRYIXWHATRTJEG-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C1 1291113228 ABKGHWMIMQDFSP-HNNXBMFYSA-N 426.446 4.515 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(C)C)[C@@H](C)c2ccccc2Cl)c1 1299945566 YWEKRUUMSPGRHN-KRWDZBQOSA-N 434.989 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccco1)N(CC)CC 1300572409 UJKOKQUGVVGSGH-QFIPXVFZSA-N 449.986 4.738 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1301129036 FKPAWKYXOLMPAZ-UHFFFAOYSA-N 431.625 4.717 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1301190258 PLOPBZFETYPKKF-UHFFFAOYSA-N 445.611 4.503 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1301272850 LKFKVBIGFPNJQC-AZUAARDMSA-N 427.593 4.603 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 1301315815 BEHNWOBCNMRLFY-YLJYHZDGSA-N 430.499 4.683 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1Cc1cnn(CC)c1 1301365681 VQSSXULIJBRGKZ-UHFFFAOYSA-N 436.560 4.527 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1301469641 DIMKKMIKRUUEGZ-FQEVSTJZSA-N 444.023 4.789 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(C)(F)F)C1 1301543726 PGXLDMSIGOVDKX-KRWDZBQOSA-N 427.499 4.628 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc2ccccc2[nH]1 1301615632 RHZIRKBURPBGMZ-UHFFFAOYSA-N 438.626 4.671 30 10 IJEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 1302989040 GEQPWNVNYYDZAI-BBTUJRGHSA-N 446.452 4.627 30 10 IJEE C[C@@H]1CCCN(CCn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)C1 1305047414 GFSWERAGMJDGSA-QZTJIDSGSA-N 447.052 4.694 30 10 IJEE CCN(CC)CCCN(Cc1ccc(Cl)cc1)C(=O)Nc1cc(C#N)ccc1OC 1310211190 BFAFWFIWGGDHRY-UHFFFAOYSA-N 428.964 4.986 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)c(F)c1 1310268765 HXDFDOJMZYFJBB-UHFFFAOYSA-N 437.315 4.626 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1 1312335017 XIDRLIPJFKFPJP-DYESRHJHSA-N 449.364 4.746 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCCC1 1313788628 AEEAPOUYMKEFIA-UHFFFAOYSA-N 448.640 4.823 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccccc2)C1 1321788426 JAQRSPVFACTNGK-FQEVSTJZSA-N 439.357 4.537 30 10 IJEE CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1349104833 FXUCMHAUVUSDCO-HNNXBMFYSA-N 435.421 4.970 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1358905959 QOFHIKPNYHXCEB-HXUWFJFHSA-N 442.007 4.533 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C2CCCC2)CC1 1358924493 YDPZBSWGAJEPNQ-UHFFFAOYSA-N 429.971 4.606 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCSC(CC)(CC)C1 1359096404 BFDLDMFRTVKMMH-TZIWHRDSSA-N 441.645 4.742 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1359177110 ASYDOCBNMMECRQ-IBGZPJMESA-N 433.556 4.527 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2)CC1 1359182001 OSJSLSIDXKAXMW-NRFANRHFSA-N 437.588 4.801 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@H](C)c1nccs1)c1ccccc1 1359195719 QOFDRWSWKPZTHY-CEWLAPEOSA-N 437.613 4.838 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(c2ccccn2)CCC1 1359235484 AYGOVHCIDYDJGK-UHFFFAOYSA-N 447.583 4.880 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1c(C)coc1C 1359258932 HNVWVMJDYHZSAK-UHFFFAOYSA-N 430.556 4.590 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@H](O)C1 1359267962 YLNKVORLCSAOMU-RDJZCZTQSA-N 449.368 4.576 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H]2c2cnn(C)c2)cc1 1359308446 OKYKQJMHGWKSCZ-QFIPXVFZSA-N 434.588 4.555 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@@H](O)C2)c1 1361122193 FHPDZXSKUCDYMQ-QHAWAJNXSA-N 439.604 4.578 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccccc2)c1C 1434994706 CQPKBSBLQMAGPW-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE Cc1cc(C#N)cc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 1451385141 DGPFEUTZHCTYQK-UHFFFAOYSA-N 438.281 4.656 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N([C@@H](C)COC)[C@H]1CCc2ccccc21 1454478682 YAUSJMHTMJPBCD-VDGAXYAQSA-N 436.980 4.573 30 10 IJEE C=CCC1(O)CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 1455924645 IUUQJOMGCKDVFV-UHFFFAOYSA-N 435.955 4.665 30 10 IJEE N[C@](C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)(c1cccc(F)c1)C(F)(F)F 1457817273 FWMQTQWTYKOOAJ-INIZCTEOSA-N 444.734 4.775 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)cc1 1463363885 ZSIAWGCCTUDCGG-JOCHJYFZSA-N 440.584 4.586 30 10 IJEE C#CCOc1cccc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 1465094546 KUPBHLRUGUVNAB-UHFFFAOYSA-N 445.906 4.919 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)cc2n1 1467351584 ADZFLHZPIDDVES-ZYSHUDEJSA-N 426.561 4.736 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1470787465 XBANGTQCMXCZRA-STZQEDGTSA-N 427.589 4.783 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H]1CCCN(c2ccccc2)C1=O 1473008892 LERXTPMMYZZENL-NRFANRHFSA-N 434.565 4.639 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1473266912 DJFGRBSRSGTJDX-GOSISDBHSA-N 435.593 4.930 30 10 IJEE Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1Br 1475243619 GFXHXZBVRWYDIH-KRWDZBQOSA-N 439.762 4.808 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(Cl)cc1F 1478483108 XFBKNGKYUUIKAB-KSSFIOAISA-N 439.840 4.750 30 10 IJEE C#C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(Br)cc1 1478896504 OBZJXKVIKXXFGH-LBPRGKRZSA-N 443.185 4.650 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1502987556 HGUPVBJKMXPXEY-FQEVSTJZSA-N 440.350 4.757 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)CCCCC1 1504043999 AQHDJZILPWIMSP-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507694041 IGRPXTUCTRNPHL-MOPGFXCFSA-N 434.506 4.825 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1 1507779283 MWOSRVMBQUSJEB-KNQAVFIVSA-N 445.405 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCc1nnc(C)s1 1507819084 ZMMCDCUKMHKICP-UHFFFAOYSA-N 433.585 4.688 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1507926385 FCWKDSQFROTBIX-UHFFFAOYSA-N 439.585 4.535 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCn1cc(C)cn1 1507968377 SJHFAFFVMARYTB-SFHVURJKSA-N 428.968 4.516 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1508165531 UQHPOWRXMAYSGE-IBGZPJMESA-N 445.702 4.875 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cc(Br)cs1 1509131042 DPWQRDHQYBZVGP-UHFFFAOYSA-N 444.402 4.857 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 1522391633 CDACBCLGYJDJML-IBGZPJMESA-N 427.953 4.661 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 1526100197 UJDXGOFTMLGKJN-HXUWFJFHSA-N 434.561 4.555 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 1526208510 HSAAZKHTUKPGGA-IERDGZPVSA-N 426.358 4.677 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccc3)CC2=O)cc1 1526497521 FVYVLIWCSDZPCG-ZJSXRUAMSA-N 443.934 4.665 30 10 IJEE C=CCC[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 1529475100 ZXENLSQONOXYGQ-NHCUHLMSSA-N 428.479 4.650 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)c1ccccc1 1530134916 XLCYWXMDDZWDEL-NRFANRHFSA-N 449.293 4.898 30 10 IJEE C=CC[C@]1(C(=O)N2CCN(CC3CC3)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1533498498 QRRJOCCOZOIYKQ-RUZDIDTESA-N 425.573 4.595 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)c1ccc(C(F)(F)F)cc1 1534434211 LNZDKYXNTVQVJI-KBXCAEBGSA-N 431.458 4.920 30 10 IJEE C#C[C@@H](NC(=O)c1cc(I)c(Cl)cc1Cl)c1ccc(F)cc1 1535459280 MAJDYCKTJJLRNJ-OAHLLOKOSA-N 448.062 4.841 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)OCc3ccc(Br)cc3Cl)C2)c(F)c1 1538872208 HTXQZXXEWCMHPV-CYBMUJFWSA-N 437.696 4.683 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1ncc(C)s1 1539149527 YBTBZHTZCPMQTI-ZBFHGGJFSA-N 429.977 4.710 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1ccc(Cl)nc1 1539391921 JSPRTWZRDWWPRE-UHFFFAOYSA-N 437.950 4.886 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1539521248 ZBZRWAUUXJIUCT-OAQYLSRUSA-N 438.572 4.871 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCCOC)CC1 1539836486 SNXDJPFPVIBNQM-UHFFFAOYSA-N 433.394 4.989 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1539846729 VJJHQJPBQVTDAQ-QFQXNSOFSA-N 437.632 4.544 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@](C)(O)C(C)C)CC1 1539854244 OUNZPOKKAVMJBB-XMMPIXPASA-N 447.023 4.815 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539877805 FZRJKWIZRRCBLL-INIZCTEOSA-N 429.565 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1539911105 WTVUKPNFSAJNNM-QHCPKHFHSA-N 444.627 4.901 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1539991405 JGLBTQBBVNWEKS-UHFFFAOYSA-N 448.880 4.936 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1540006638 FUJTXXYSJASYKB-CRAIPNDOSA-N 426.417 4.620 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](OCC)C1 1540029736 XSYDLGUISNMKRY-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCCOC(F)(F)F)C1CC1 1540099034 PVTPORVFLZDTFI-UHFFFAOYSA-N 445.283 4.789 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCc2ccccc2C1)C(C)C 1540151007 BMUQQSJCKVSIAR-VWLOTQADSA-N 442.611 4.601 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1cccc(F)c1 1540186360 BRAIETRPDRCHSQ-UHFFFAOYSA-N 437.544 4.649 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cl)=C(Cl)C1 1540880492 IGROCVDYFSFPDV-QGZVFWFLSA-N 449.382 4.685 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2ccc(Cl)s2)C1 1540893571 GBSSIBCKTJZPQX-SFHVURJKSA-N 446.979 4.747 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(CC2CC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1541496734 GACPNJQLQMSZBF-AREMUKBSSA-N 433.600 4.583 30 10 IJEE COc1cc(CC2CN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)C2)cc(OC)c1 1545013437 GMMKKWOAGYIIDN-UHFFFAOYSA-N 442.515 4.991 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)C1 1546079097 FZDYURDKOLXJDQ-NZQKXSOJSA-N 425.602 4.641 30 10 IJEE C=CCCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1562129524 NNPPKVSCFPAADM-UHFFFAOYSA-N 443.569 4.693 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(OC)c1 1583779388 IAZFNTXSFOBXAK-IBGZPJMESA-N 445.384 4.824 30 10 IJEE C#C[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccc(Br)cc1 1584708543 QZGOOSFWGPZCNZ-CQSZACIVSA-N 446.395 4.825 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccoc1C 1587831319 LYVCPCZPVDIGSQ-UHFFFAOYSA-N 431.309 4.798 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCCC[C@H](SC)C1 1589117231 WELTUVKFZSSWPT-FQEVSTJZSA-N 446.711 4.967 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)c1ccccn1 1589243232 XYWGEQSXBFGUMX-RUZDIDTESA-N 449.986 4.875 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1cccc(F)c1)C(C)C 1589558985 NECKFDZWWKCHKR-WIOPSUGQSA-N 449.574 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccncc1Cl 1589609101 UFSKHHXJYOOVJX-UHFFFAOYSA-N 435.757 4.535 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1593844822 HHRYNEMTGLECDX-UHFFFAOYSA-N 429.977 4.855 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1594209400 VRMCOXPXRHOGAD-DNVCBOLYSA-N 431.378 4.535 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1594454139 CFLSVVRCMZSOTF-RBUKOAKNSA-N 429.584 4.690 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1594738601 AZNFJFKZXVBIFJ-NRFANRHFSA-N 428.024 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1595161802 MEGKCEZBPYFIBV-PMACEKPBSA-N 445.677 4.620 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1595190280 AEPDMLOYLQTFBS-NHCUHLMSSA-N 437.632 4.889 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CC1(COC)CCC1 1595195920 DRXBNRXMIWVKLF-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCOc1ccc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1OC 1595469554 NPOJBRGXFKYPLO-UHFFFAOYSA-N 428.532 4.753 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1 1595964167 CVONFWTXLXENPC-NRFANRHFSA-N 437.341 4.843 30 10 IJEE C=CCn1c(SCC(=O)N(CC)Cc2occc2C)nnc1-c1ccc(Cl)cc1 1597751938 HWBIAQWVZPZDOL-UHFFFAOYSA-N 430.961 4.827 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1611856911 ASDQIORBWIUJTN-QHCPKHFHSA-N 439.560 4.739 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](CC(F)(F)F)C2)n(-c2cccc(F)c2)c1C 1618669243 HIYAEPMRSLBFME-MRXNPFEDSA-N 436.453 4.708 30 10 IJEE C#CCCOc1ccc(CNC2(Cc3ccc(F)cc3Br)CCOCC2)cc1 1620948325 BWEKHPKOAPLCOS-UHFFFAOYSA-N 446.360 4.872 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 1624138718 STMTWMHGKCCVAS-UHFFFAOYSA-N 435.503 4.876 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1624162617 BFNGVQIWXTVZQK-VWLOTQADSA-N 435.653 4.691 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OCc1ccccc1 1625960083 PKWVULPTSNAMFZ-FQEVSTJZSA-N 444.959 4.918 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCCCO1 1626155528 SZBULLFJLVGWDV-UQBPGWFLSA-N 448.563 4.545 30 10 IJEE C=CCC[C@H](NC(=O)c1ccccc1Oc1cccc(Br)c1)C(=O)OCC 1627752260 NSEAAKYPVYJAPM-SFHVURJKSA-N 432.314 4.869 30 10 IJEE CCO[C@@H]1C[C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C12CCCCC2 1642983404 CIJYQDATDUMMLP-DNQXCXABSA-N 448.611 4.681 30 10 IJEE C#CC[C@H](NCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC)c1ccccc1 1645099914 HAYUZIWMDWDSSZ-FQEVSTJZSA-N 432.545 4.885 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCC(=O)C1CCC(F)(F)CC1 1653113106 HXYPJEQMDZKNFQ-UHFFFAOYSA-N 437.078 4.857 30 10 IJEE Cc1ccc2sc(CN3CCN([C@H](C#N)c4ccc(Br)cc4)CC3)nc2c1 1653176461 GJJVCHJLJZANTC-LJQANCHMSA-N 441.398 4.750 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)nc2cc(Cl)ccc2c1=O 1655984268 NXYPPNORECQBBB-HNNXBMFYSA-N 427.957 4.972 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 1661755761 AUWDFTCXOUBPCR-LJQANCHMSA-N 426.435 4.926 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1OC 1662187632 GFDWDXFKXBKOEF-SJLPKXTDSA-N 437.422 4.765 30 10 IJEE CC(C)n1ncc2cc(S(=O)(=O)NCc3cccc(-c4ccc(C#N)s4)c3)ccc21 1662278467 CZQBYQOFOXNZKA-UHFFFAOYSA-N 436.562 4.696 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(C(=O)N2CCCC2)cc1C 1662586682 OTBXQPBFOGHCLK-UHFFFAOYSA-N 427.342 4.618 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CCCC1 1665141772 SRFNZWBIPAADIT-OZIGNCPNSA-N 445.629 4.800 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2cc3cc(F)ccc3o2)cc1 1666618739 CLDVPEOOWSYJAF-UHFFFAOYSA-N 438.455 4.974 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1668939010 NKUXVQWWAPNECG-FPOVZHCZSA-N 441.572 4.732 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(CC(NC(=O)Nc3scc(C(C)(C)C)c3C#N)C2)C1 1670298779 FNJFVFWWUPFAKZ-UHFFFAOYSA-N 432.590 4.875 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O 1672708232 HZNXKHYQFPDWTE-IWKCEXAMSA-N 437.378 4.807 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)CC2)cc1 1681821241 DLQZGMUVUCDNBV-FQEVSTJZSA-N 440.469 4.655 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1)c1ccc(F)cc1 1682348736 LIYVSFOHLRGWEH-QFIPXVFZSA-N 432.474 4.685 30 10 IJEE C#C[C@@H](NC(=O)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1682366382 FEGJQIKURJRVEG-QFBILLFUSA-N 437.943 4.632 30 10 IJEE C=CCCCCCCNC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 1682403444 MWJMJWPCMCPGDC-QHCPKHFHSA-N 440.588 4.717 30 10 IJEE CC1(c2cccc(Br)c2)CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 1682686914 COJPJJNNGDPOIR-UHFFFAOYSA-N 426.358 4.627 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(F)c(Br)c1)c1ccc(Cl)cc1F 1682794559 XWUGSFCQENWMRP-QGZVFWFLSA-N 427.676 4.597 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CCCC1(C)C 1683517249 UASYVHJGJXNENH-MRXNPFEDSA-N 433.350 4.775 30 10 IJEE C=CCCC1(CNC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C[C@H](C)O3)C2)CCCC1 1683985292 WXLWHIWSESMQMR-BKMJKUGQSA-N 425.617 4.588 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1nccs1 1689834956 CJVVNQQJRFSPRP-JKSUJKDBSA-N 425.627 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(SCC)c1 1689865677 ZRHMRZCMYDSJFW-SFHVURJKSA-N 437.638 4.892 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1689882429 ADDFEWQVQRFTBO-RBBKRZOGSA-N 431.584 4.938 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CCCO)CC1 1689918268 WXLRGTYVWFFPFY-UHFFFAOYSA-N 426.630 4.678 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(OC)CCC(C)CC1 1690059694 VSVMRXDNKSULDH-SZTYLXMGSA-N 428.552 4.612 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@@H](C)C1 1690095985 KVXABNRMCMZIRM-CEXWTWQISA-N 426.630 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCN(C(C)C)C1 1690193386 KPKOWGORBFALEB-CAKYRVLISA-N 433.644 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690246912 XRFTUNHJVWWSLY-WMQCIHAUSA-N 448.970 4.930 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1C(C)C 1690255595 SYNQFRUSGHOJPD-AHJNKEMKSA-N 430.637 4.803 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C(F)(F)F)CC1 1690365828 IHVGZAPROKVDPT-UHFFFAOYSA-N 446.315 4.791 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCC=CO2)CC1 1690398705 FDJPTCLBAMGRIO-AUSIDOKSSA-N 438.572 4.912 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2sc(C)nc2C)CC1 1690415736 WLDYKUZMGUVJOE-UHFFFAOYSA-N 437.613 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CCC)C1 1690419912 FJZLBEPCUBBQFG-INIZCTEOSA-N 436.398 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1csc(CC)n1 1690424667 WNZSEUWJCMQKJW-UHFFFAOYSA-N 439.585 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](SCC)C1 1690428590 VMPUVCZMYURLML-QGZVFWFLSA-N 445.633 4.720 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(S(=O)(=O)CC)CC1)c1ccccc1 1690442184 NYNOSSQMZIBNEU-PZJWPPBQSA-N 444.645 4.555 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1690465300 XCKOZSHALSHMOJ-UXHICEINSA-N 433.641 4.963 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(F)ccc(F)c2C1 1690474255 YGEXHUZWKLWVLJ-UHFFFAOYSA-N 448.315 4.843 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS[C@H](C)C1 1690499870 CTKQEXRKTMTPCK-IAGOWNOFSA-N 432.659 4.666 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)C(C)(C)C 1690588288 QBLWFYKXVRPMSL-UHFFFAOYSA-N 436.387 4.593 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690629490 ZWKDYFGZCNPTEE-KOSHJBKYSA-N 428.577 4.644 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(Br)c1 1705536581 RTIXPBLNIITQRU-UHFFFAOYSA-N 429.387 4.743 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCC(F)(F)C1 1705548274 BKOUSVALBYRPES-HNNXBMFYSA-N 437.332 4.993 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1705577906 YCAPGIGENLDMJW-HOFKKMOUSA-N 430.596 4.521 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC=CCO1 1705677547 TUJJEGVIPFHCRN-HTAPYJJXSA-N 447.366 4.501 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(C)s1 1705701110 CMHMZADBSNHQTM-AUSIDOKSSA-N 440.588 4.996 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC(F)(F)Br 1705716966 ZPIPFUBVWJXPCN-UHFFFAOYSA-N 433.728 4.912 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCc2ccc(Cl)nc2C1 1705886248 GFQNNCREWPNFOA-UHFFFAOYSA-N 430.737 4.505 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722317933 WAGHAHRBQICISK-UHFFFAOYSA-N 443.595 4.732 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1Cc1cnn(CC(C)C)c1C 1722417843 VYVNDKCAYDNSKM-IBGZPJMESA-N 436.579 4.780 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC1(COC)CCCCC1 1722419854 CZTPDOJMOQJQDI-UHFFFAOYSA-N 426.580 4.852 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC[C@H]1CCO[C@H](C)C1 1722422770 QJQKHLVLNRWDKQ-IRLDBZIGSA-N 438.591 4.995 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1722481822 BCEWNZGAJZFZGT-OAHLLOKOSA-N 445.352 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCO[C@H]1CCCC[C@@H]1C 1722518328 ZSBBCTYSQSSKAL-JTAQYXEDSA-N 440.588 4.788 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCSC1 1722529616 XMUBEQYKWGNSOV-WMZOPIPTSA-N 437.009 4.606 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722605793 SJGKNUHGHJRLPO-LJQANCHMSA-N 445.633 4.732 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)C[C@H]2CC=CCC2)cc1 1722704779 OPKJGMSAMWGKNF-NRFANRHFSA-N 429.568 4.670 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCCC1(C)C 1722863140 HYJIOECAGAXTCJ-SEPYTNNBSA-N 445.995 4.609 30 10 IJEE CN(CC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CCCCC1)N(C)C 1729462273 CCMDQVMDEKIFFL-XMMPIXPASA-N 434.632 4.954 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1730355291 HDTZRYJLWDBJJT-QXAKKESOSA-N 427.618 4.829 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)c1ccccn1 1740534792 KDGWOYCHUXRNCN-WOJBJXKFSA-N 447.583 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740605206 ROWOUANMQWTKHO-OPAMFIHVSA-N 434.415 4.832 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC(C)(C)c1ccccn1 1740677499 LZZYOTYEGPPQPK-UHFFFAOYSA-N 443.526 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1740761115 UJMVNVKRSYRFDR-YWWGLXIYSA-N 442.579 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740775286 UGOTWRCPAWPUIF-RTBURBONSA-N 431.575 4.670 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](COC)C1 1740787540 FSNQACWULNXYPQ-RTBURBONSA-N 444.645 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(OC)c2)CC1 1740845276 KCAQOZJUENFRFY-UHFFFAOYSA-N 435.572 4.784 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C)C1 1740845436 OJIOWAXZEXSLMD-OAHLLOKOSA-N 449.393 4.544 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C)(C)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1740855893 PEUIISXNJZEFRU-NVQXNPDNSA-N 438.616 4.917 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCn1cccn1 1740870995 MSUQNRCTOSPQEW-UHFFFAOYSA-N 429.572 4.652 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC(C)C)nc1 1740919139 WIEHRZRHNLBDMB-UHFFFAOYSA-N 428.540 4.696 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC1(F)F 1740921186 NCGMULGTQRCHAG-LJQANCHMSA-N 444.505 4.836 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC=C(C)C)C1 1740975233 NTCFRGTZWSNMPT-HNNXBMFYSA-N 437.407 4.907 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1748739293 CWQUHESLZDGTKD-HXUWFJFHSA-N 433.625 4.866 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H]1CC 1749048140 JRJBIKOKNBTCSY-MSOLQXFVSA-N 430.643 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC1(CCOC)CCCCC1 1749061568 ZGCYVOJZAWRLRQ-RUZDIDTESA-N 436.600 4.933 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749261698 YFFQXCSDRRNLME-QHCPKHFHSA-N 448.995 4.746 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2cccnc2)CC1 1749311516 QMDJOJRBQCVQFZ-UHFFFAOYSA-N 444.366 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1749363396 CAALSZFREBZPDN-LJQANCHMSA-N 448.615 4.760 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCC(C)CC1 1749538042 RISJIHUTAXKORX-QHCPKHFHSA-N 444.627 4.577 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]2CCC[C@H]21)C(C)C 1749556938 CMZZPHBCHBUMQF-WBADGQHESA-N 427.637 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCC[C@H]2C)C1 1749696063 OWOCQXXBDUNBLQ-DENIHFKCSA-N 444.023 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(CC)CC2)C1 1749697001 GUBHTJHEXUJOTJ-GOSISDBHSA-N 431.378 4.679 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(SC)CCC2)C1 1749719603 XYNYEQBZYXCCPX-NRFANRHFSA-N 442.629 4.541 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CC)CCOCC1 1760103839 NAACYNMCKBSJPJ-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC1CC(OC(C)(C)C)C1 1760109963 ITTLBVVXMPZFLL-RZFJCUDFSA-N 446.599 4.573 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](CC(C)C)N(C)C 1760162873 IQXRTSZTKXYXME-PZJWPPBQSA-N 446.039 4.734 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC1CC(C)(C)C1 1760211249 BVYDMFARRDEXSG-UHFFFAOYSA-N 443.364 4.746 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1N(C)CCCC1(C)C 1760224914 CSROIONMMWVNTL-JTHBVZDNSA-N 437.632 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncc(CC)s1 1760228458 GWWAQVWILMGMNH-UHFFFAOYSA-N 425.627 4.802 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H](c1cccs1)N1CCCC1 1760237817 WQBLFUXTCJYVDG-JOCHJYFZSA-N 449.624 4.524 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1760247354 YDCJOVCTKBJVKD-SFTDATJTSA-N 448.533 4.962 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCCC[C@@H]2CC)CC1 1760392119 DYNKQHHTEXZHQH-NRFANRHFSA-N 444.023 4.931 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC(F)F)CC1 1760421794 AZIOAQHOYNGWON-UHFFFAOYSA-N 440.542 4.545 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CSCCS1)C1CC1 1760475579 MSOUBIYPJPYIMJ-KRWDZBQOSA-N 448.683 4.582 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1ccnc(SCC)c1)C1CC1 1760476770 GEAWJWWNYMIQDR-UHFFFAOYSA-N 441.551 4.857 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1cccnc1Oc1cccc(F)c1 1760493256 YSDHRJZZPGILHC-UHFFFAOYSA-N 442.498 4.893 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2nc(C(C)(C)C)cs2)C1 1760545901 DTXMQHYKTBEUTC-KRWDZBQOSA-N 443.642 4.514 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)C1(C)C 1766125888 DPDFQKIBHAGECF-UXHICEINSA-N 439.629 4.742 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC2CC(F)(F)C2)c1 1770731133 IFJYENRERQOMHD-UHFFFAOYSA-N 425.405 4.641 30 10 IJEE CCc1ccc(CCC(=O)N(CCOC)[C@@H](C#N)c2cccc(Br)c2)cc1 1857960516 LMRYTUOAQGGRMT-NRFANRHFSA-N 429.358 4.684 30 10 IJEE CCCOC(=O)c1cccc(NC(=O)C(=O)/C=C/c2ccc(OCCC)c(OCC)c2)c1 1860728646 RMHWHYVKYATACB-ZRDIBKRKSA-N 439.508 4.662 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2nc(-c3cccs3)cs2)nc1C 1860807528 QBEQWKVHPRPYOW-UHFFFAOYSA-N 437.593 4.710 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccccc1F 1861744137 PWOOOPOGVUPHEY-QHCPKHFHSA-N 430.539 4.712 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccco1 1861788087 GNZQRRFXYFPXRL-JOPBRCQMSA-N 440.584 4.983 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(O)c2)cc1 1862389698 LLNIVNUKSZJPCZ-HSZRJFAPSA-N 437.536 4.738 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1862446572 VXNPPZKDFAEYCO-IBGZPJMESA-N 434.319 4.997 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1862453299 WKWXFHWXHGYWCR-QGZVFWFLSA-N 432.701 4.867 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(=O)O)cc1 1862503623 BJUKGNAVPJZLBC-HXUWFJFHSA-N 425.456 4.601 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc2cc[nH]c2c1 1862504178 NTDVUTALHIGPTM-HSZRJFAPSA-N 449.526 4.536 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 1862650203 PTHZCXUKGRXJDQ-QHCPKHFHSA-N 431.488 4.550 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 1862691790 VXIDZMOSCRMQNK-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1C[C@H](C)O 1862721244 CGQSAXWVMFNMJE-MHECFPHRSA-N 427.500 4.621 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839249 FCGDYTNIEHVWAB-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(Cc2ccccc2Cl)C1=O 1863437212 ZQYGXZYCYOVKMG-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(=O)c3c(C)cc(C)cc3[nH]2)c1 1866487059 XICAITHDJLWKIN-UHFFFAOYSA-N 435.483 4.808 30 10 IJEE C[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867117092 LUJAGOBVRHFENB-OXQOHEQNSA-N 433.458 4.502 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(Cc3ccccc3)n2)cc1 1868220020 SDBVSXOPECPKGJ-XMMPIXPASA-N 448.530 4.656 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(C)C 1868951045 YCILHBQYVNXBQY-OFVILXPXSA-N 440.534 4.828 30 10 IJEE CCOc1cn(Cc2ccc(OC)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870238621 INTLHTYVXMNGMO-UHFFFAOYSA-N 449.576 4.788 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1CCC(C)CC1 1870448806 PCLKUAYZOSQQAJ-UHFFFAOYSA-N 434.621 4.773 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)c1 1871380481 QDEIPMMMCFOYEQ-MKNZLWHHSA-N 443.455 4.642 30 10 IJEE COc1cc2c(cc1OC)CN(Cc1c(O)ccc3c1O/C(=C\c1ccccc1)C3=O)CC2 1871398381 GKDXXSHXYGKVFV-ROTLSHHCSA-N 443.499 4.584 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871427596 LNSVSBLEEBNAJZ-XMSCMFJESA-N 438.520 4.947 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCCO)nc(Nc2ccc(CCCC)cc2)[nH]1 1871503799 WLMCYLZUDSRFGA-UHFFFAOYSA-N 438.620 4.523 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCOCC2)n1 1871663856 QCNUEYMZMJSOBO-UHFFFAOYSA-N 433.000 4.608 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871761659 IJNNRKGNZJWPNL-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872281754 MPIKJANBFIUGBH-QRWLVFNGSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872344970 BHYPLUBXEWDLOO-NFBKMPQASA-N 449.661 4.648 30 10 IJEE COc1cccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 1872762477 NWOBMMQWQYADHS-OZOXKJRCSA-N 445.544 4.605 30 10 IJEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 1872786257 GENNRGOWLOGPCV-HIFRSBDPSA-N 445.972 4.604 30 10 IJEE COc1c(C)cc(Cl)cc1-c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 1872786507 MAXBOMBWAYTAJV-XJKSGUPXSA-N 445.972 4.604 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873315886 NFGXMJTYXXNTSZ-UHFFFAOYSA-N 446.453 4.922 30 10 IJEE CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874215015 RCMDJDOMGBJTGJ-HZHRSRAPSA-N 429.977 4.613 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874254241 XPGAEIHBFMAWPX-XQNSMLJCSA-N 437.525 4.667 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1F 1874365361 YQCGRPGTVKZYDQ-ZMOGYAJESA-N 445.951 4.580 30 10 IJEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874463814 CQELWQIDJOXSLV-ZVHZXABRSA-N 432.505 4.792 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1 1874481767 NBZGNNXGXVOLLS-ZMOGYAJESA-N 426.517 4.676 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccccc2Cl)o1 1874487973 OQXWLYCDRONKOV-SSDVNMTOSA-N 432.933 4.684 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1 1875180476 ULPLXNMHJKVETG-ZEZYUPADSA-N 445.855 4.546 30 10 IJEE C#CCC[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(Br)cc1C(F)(F)F 1903150850 BDTLDXMAWIJTSB-GFCCVEGCSA-N 437.256 4.548 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CC2 1925703698 PLALJYALIPNGBU-DEOSSOPVSA-N 427.545 4.859 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1F 2079013733 PQOYFIZEHRQLKU-CQSZACIVSA-N 431.199 4.744 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(F)c2F)C(C)C)c(I)c1C#N 2079860274 FIHQMFUQPCZKIV-INIZCTEOSA-N 429.252 4.754 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079953847 DAGJXGSHPZROQV-IBGZPJMESA-N 447.320 4.943 30 10 IJEE CC[C@@H](C)[C@H]1CSC(=Nc2ccc(Br)c(I)c2)N1 2081319677 QLMPFFFJNAIBEU-PRHODGIISA-N 439.160 4.792 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(Br)c1F 2089288652 JBBNXYCJYYERDE-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE C[C@H]1C[C@@H](Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OC(C)(C)C)C1 2105990952 DMUQRKQNYMJILG-JSGCOSHPSA-N 426.330 4.907 30 10 IJEE Cc1cc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2116068935 KMWFPCHBCCOEOW-GMAHTHKFSA-N 436.405 4.509 30 10 IJEE CC[C@@]1(NC(=O)OC(C)(C)C)CCCN(c2ccc(C#N)c(Br)c2F)C1 2118192926 UXMBWPLSFZSYME-LJQANCHMSA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)NCCC[C@H]1CCCCN1Cc1ccc(Br)cc1C#N 2174560376 SPZUIXFLJODFHN-LJQANCHMSA-N 436.394 4.980 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1c1ccc(C#N)c(Br)c1F 2174766122 UPELPEWVWBDQAI-QEJZJMRPSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@H](C(C)(C)C)C1 2174769822 NYLRPNMEHSKMKZ-KRWDZBQOSA-N 440.357 4.932 30 10 IJEE CCCCC[C@@H](CC)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2193697585 HXJHPGDXSZJCBS-MRXNPFEDSA-N 425.220 4.938 30 10 IJEE C[C@@H](CC1CCN(c2ncc(Br)cc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203593394 MYOXAQVPXBIOCF-AWEZNQCLSA-N 437.382 4.578 30 10 IJEE CCCN[C@@](C#N)(COc1cccc(OCc2ccccc2)c1)C1(Br)CC1 2206641677 YLKGACSDHAYYSZ-QFIPXVFZSA-N 429.358 4.834 30 10 IJEE CCCN[C@@H](C#CC(C)(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2218399363 DSYCSULQRQWDFS-QHCPKHFHSA-N 441.660 4.964 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2235728486 RIJCJVOUILMNDI-CMKODMSKSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2235745622 DPRXQOOYGBGCGL-CEXWTWQISA-N 435.406 4.718 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)c1cc(Cl)ccc1I 2278781486 MQJQRGQMKYLTIM-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE O=[N+]([O-])c1cc(Br)c(OCC2(CS)CC(F)C2)c(Br)c1 2280374814 RVRLEHSHAXOFES-UHFFFAOYSA-N 429.105 4.547 30 10 IJEE C=CCOc1ccc(C=C2SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc1OCC 2296373971 MXOKKOFBXIAGEO-UHFFFAOYSA-N 438.505 4.582 30 10 IJEE O=C(C[C@@H]1SC(=NN=CC=Cc2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 2297332325 ZVFZCPZCPHBJJD-KRWDZBQOSA-N 447.347 4.609 30 10 IJEE CCCN[C@@H](C#Cc1cccs1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2300751063 UAYJHRHDJLKCGU-VXKWHMMOSA-N 442.625 4.968 30 10 IJEE CC(C=NN=C1NC(=O)[C@@H](CC(=O)c2ccc(Cl)c(C)c2)S1)=Cc1ccccc1 2314835610 MVBWGLILEHMUGD-HXUWFJFHSA-N 425.941 4.898 30 10 IJEE CCCC[C@@H](CC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319673395 BFSWSDKYMVXVQI-SBUREZEXSA-N 438.418 4.545 30 10 IJEE CC(C)OCCCN1COc2ccc3c(c2C1)OC(=Cc1cn(C)c2ccccc12)C3=O 2322023978 SJOWXOXBVXCWAC-UHFFFAOYSA-N 432.520 4.762 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)C(Cl)(Cl)Cl)c3C)C2=O)c1 2323035138 NTDZCTGXOODZFT-UHFFFAOYSA-N 427.667 4.895 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1C 2323396158 AHBVBMKYMZTWCX-UHFFFAOYSA-N 428.941 4.848 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1nccs1 2323802751 IOXVDLPRKFFAES-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323992254 NVJIZSNWOQRGPQ-UHFFFAOYSA-N 443.927 4.827 30 10 IJEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324077548 BYSJEWNIPPTHIX-UHFFFAOYSA-N 430.460 4.857 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccco2)cc1 2328362303 WSRBGXJFUHYIHO-UHFFFAOYSA-N 438.484 4.772 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2328559512 REJWPBFKCGTOFL-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCOc1ccccc1 2330647901 HODPCNYYNPTFKF-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Br)c2)c1 2330784196 OWFFUMIMXLCLDE-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Br)c1OC(=O)C1CC1 2331100669 NTVAMSPMYWCVTE-UHFFFAOYSA-N 437.236 4.947 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COCCOC)c(Cl)c2)cc1 2331304140 MTLGXPIGQBVAJW-UHFFFAOYSA-N 432.900 4.593 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1sccc1C 2331630566 JHMDCRDYXDSCIT-UHFFFAOYSA-N 427.599 4.830 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1C 2331854637 GZMKYOBJMWBFSO-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE CC1(C)C[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@@H]1OCc1ccccc1 2339307331 CKBMQGOSUIBMKO-GOTSBHOMSA-N 432.373 4.653 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CC(C)(C)CN(Cc3ccccc3)[C@H]2C)n1 2362169459 UPOQJXDOMHANOE-NZQKXSOJSA-N 449.448 4.790 30 10 IJEE CCCCC#CC[C@H](OCC(=O)O)c1sc(Cl)cc1I 2366709850 MBDXRHZKOBSPTE-NSHDSACASA-N 426.703 4.732 30 10 IJEE COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(C#CC(C)(C)CO)s2)cc1 2727588 YBLLQEQPTQRKAP-IBGZPJMESA-N 432.636 4.571 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3cccc(OC)c3)C4=O)C2)cc1 41587532 AWIIBTZWMDKTEG-MSXFZWOLSA-N 443.499 4.981 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1 59019877 ZQJMXWMXFNDYDE-SRZZPIQSSA-N 446.989 4.747 30 10 IJEE C=CCOc1ccc(NC(=O)CNc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 66109064 BEQKIPDZJKCXLB-LJQANCHMSA-N 429.520 4.793 30 10 IJEE CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc3c(c2)OCCO3)cc1 72471580 WARSVMBJSPVAEQ-UQBPGWFLSA-N 442.519 4.588 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@@H]3c2ccc(C)c(C)c2)cc1OC 98036944 GHIGEHBECLKRGT-HTAPYJJXSA-N 445.519 4.708 30 10 IJEE CCn1c([C@H](C#N)/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 100516918 VFXIYVXNFLBCQE-PVCXERSVSA-N 434.546 4.603 30 10 IJEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/CCc1ccccc1 102153698 XFXMNZFKJKCVGM-ZCGWOIPMSA-N 425.579 4.600 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971768 LKFDJMQTAJYOBC-JOCHJYFZSA-N 449.409 4.785 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(C)c2)c1 169972491 GYYSJMFIHBRZDY-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccncc2)cc1Cl 170021655 QNBNMHYPEMQCOL-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170149643 OBXJLGWOGVDSSG-QHCPKHFHSA-N 449.547 4.534 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(=O)OC)c2)cc1 170392322 UEVMNQHLIPLOTB-QHCPKHFHSA-N 441.483 4.819 30 10 IJEE O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)C1CCCCC1 254874923 SSLDLPKUMWLUOM-UHFFFAOYSA-N 445.304 4.600 30 10 IJEE COc1ccc(C=NN2C(=O)CSC2=S)cc1COc1c(Cl)cccc1Cl 263631780 VADODEXAKWEEKK-UHFFFAOYSA-N 441.361 4.775 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCc2cccc(OC)c2CC1 460381262 QRGFTHAHNZYUIZ-UHFFFAOYSA-N 427.552 4.540 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@H](COc4ccccc4)C3)c2)cc1 484141190 YGRMCYKTQBTPEE-DEOSSOPVSA-N 429.476 4.662 30 10 IJEE Cn1c(=O)ccc2ccc(NC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc21 488377003 GGUUNCXKXUEBOK-UHFFFAOYSA-N 438.487 4.828 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)[C@@H](C)c1cccc(Br)c1 506863540 XFRFOBHNMGJCBQ-HNNXBMFYSA-N 446.370 4.737 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccc2OC)c1 526607796 WQINEBKSOZZMJK-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COc1ccc(C)cc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(C#N)cc2)C1=O 526636584 WLDUTDQMOLUHEU-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526824947 BWAMSSPSQXIFIX-CFRMEGHHSA-N 428.533 4.950 30 10 IJEE C=C(C)Cn1c(S[C@H](C(=O)OC)c2c(F)cccc2Cl)nnc1-c1ccncc1 544082405 IITWKTALEZGONA-KRWDZBQOSA-N 432.908 4.715 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 558984825 ZZUDYJHBWWJDKT-LJQANCHMSA-N 448.596 4.708 30 10 IJEE O=C(NCC#CCOc1cccc(Br)c1)C(c1ccccc1)c1ccccc1 585254383 QWPZPJJLVLYYBG-UHFFFAOYSA-N 434.333 4.780 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)n2Cc2ccccc2)cc1 619817440 CQUSMNQPEUWCKK-GOTSBHOMSA-N 427.552 4.508 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 669738355 VQJWPLYHWFXVEO-UHFFFAOYSA-N 435.499 4.629 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669810418 CJOUYCQBEVJNEO-ICSRJNTNSA-N 440.979 4.912 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(c2nc(-c3ccccc3)no2)CC1 670216260 UCJGYFDSSZVIEB-UHFFFAOYSA-N 444.539 4.666 30 10 IJEE C[C@H](OC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)C(=O)N(CCC#N)c1ccccc1 780192155 DTVUJWJKPHGJRH-AWEZNQCLSA-N 441.459 4.580 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2CC[C@](F)(c3cc(C)cc(F)c3)C2)c1=S 799953603 SOIKNQVGLJHUDC-JOCHJYFZSA-N 427.524 4.638 30 10 IJEE O=C(N1CCO[C@H](C(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 801010580 ATGGTPPWSNUACX-ZOMKBIRXSA-N 449.382 4.601 30 10 IJEE C#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(F)cc1 812751576 WURSDWIFEPEIGO-GOSISDBHSA-N 427.273 4.667 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 1124155649 ZSCWNQPMFHVEDY-UHFFFAOYSA-N 426.494 4.653 30 10 IJEE C=CCCOCC(=O)Nc1cc(-c2ccc(Br)cc2)sc1C(=O)OCC 1124647862 LFMGINPJKVCCMQ-UHFFFAOYSA-N 438.343 4.886 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccccc1 1125203071 TZBTYNJXZDGVRJ-NFLAHJKKSA-N 439.581 4.578 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 1127054148 DETMDEZMPBRBAB-RBUKOAKNSA-N 435.281 4.645 30 10 IJEE COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1129255119 HXYVZZPJCMUGCT-UHFFFAOYSA-N 428.803 4.562 30 10 IJEE CC(=O)c1ccc(Br)c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 1132844752 CDGHIYZBYKXWBA-UHFFFAOYSA-N 437.297 4.681 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)n[nH]2)c1C 1136484143 PAEUGKJBOWEUEH-MRXNPFEDSA-N 427.961 4.696 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1137093105 RDRBGEYCHGICIY-UHFFFAOYSA-N 435.295 4.893 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 1146920035 MRVVIPQHMTVCAT-UHFFFAOYSA-N 448.316 4.622 30 10 IJEE COc1ccc(C2(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)CCOCC2)cc1 1185028265 GSMMBFXWJYGQPO-UHFFFAOYSA-N 430.552 4.653 30 10 IJEE C=CCC[C@@H](NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(C(F)(F)F)cc1 1192635142 JJQZERMZHXZHGO-OAQYLSRUSA-N 445.485 4.833 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 1206233049 PTIZDSLZQIHKJW-CQSZACIVSA-N 447.329 4.630 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1214279076 XPHQWESYSXKTSD-HXUWFJFHSA-N 441.597 4.717 30 10 IJEE CC(C)(C)Oc1ccc(CCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 1216134398 GJWBJIMJSGTFIW-UHFFFAOYSA-N 437.931 4.939 30 10 IJEE C#CCC1(NC(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1229199361 QXWCIYFDBWFVPK-HSZRJFAPSA-N 438.593 4.513 30 10 IJEE N#Cc1c(NC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)sc2c1CCCCC2 1264130090 GSJUQFZPKIXGIM-UHFFFAOYSA-N 430.533 4.717 30 10 IJEE C=CCN(C(=O)c1nn2c(c1Br)CCC2)c1nc(-c2ccccc2)cs1 1264215831 FWXFRQUQHBZGRN-UHFFFAOYSA-N 429.343 4.548 30 10 IJEE C#CCN(C(=O)c1cc2c(s1)CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1265209244 XROJWPWYTOLTSD-QGZVFWFLSA-N 430.367 4.989 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(F)c(Br)cc2Cl)c(OC)c1 1270730416 LEBXMQHUVKQLSY-UHFFFAOYSA-N 428.685 4.996 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1286302247 CIKRIZCKCGXOIQ-GOSISDBHSA-N 431.625 4.552 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1sccc1Br 1286363120 JVQCJVXKEKTMGJ-INIZCTEOSA-N 429.387 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1Cc1ccc(N(CC)CC)nc1 1286520613 RPQSWWOGVMEEMD-AREMUKBSSA-N 428.584 4.535 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](OC)C1CC1 1286528486 CFVRVZPVIWBKKM-SIKLNZKXSA-N 431.005 4.641 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CCC 1286530803 DSDLZJODKCHZRI-LLVKDONJSA-N 431.176 4.569 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286589654 BEVHDGFBPRXLQW-HNNXBMFYSA-N 438.359 4.543 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1286623370 XONQKQSHQOWTPS-LSDHHAIUSA-N 438.801 4.815 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCCCC1 1286686178 BVWYKONJSRIRNL-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286694252 AATKOQWSZRIAPJ-FGZHOGPDSA-N 448.615 4.804 30 10 IJEE C=CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@](=O)C(C)(C)C)C1CC1 1286733842 KGGJRJRYTDWSDG-HKBQPEDESA-N 437.613 4.504 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1ccnc1C 1286744232 FWNMTGANVZRDNU-DHIUTWEWSA-N 448.615 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1286755744 KFOKSPGXDYJHEJ-XFAGBWLFSA-N 442.991 4.727 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCO[C@@H]2c2ccccc2)C1 1286811121 ZVTLMZGVGGZHIM-CQOQZXRMSA-N 438.616 4.816 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286827500 QRYOTSCKKSRPLL-APWZRJJASA-N 449.020 4.532 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)CC(C)(C)O1 1288557489 DOCDVZSRBWRKDR-MSOLQXFVSA-N 435.597 4.761 30 10 IJEE C#CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H]1CCCc2ccccc21 1289232307 BWKGXFWYRYLUTJ-JOCHJYFZSA-N 446.572 4.909 30 10 IJEE C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1 1298244707 ANMDMJYZYLYJFC-HNNXBMFYSA-N 432.915 4.827 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC2(CCCC2)C1 1300422224 IFOFTCNPFBPZIH-UHFFFAOYSA-N 443.389 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)CC1 1300876021 PGQILOOGQWVRIN-KDOFPFPSSA-N 440.897 4.954 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccco1)N1CCCC1 1300918143 UCTTYJNBLNQASG-JOCHJYFZSA-N 437.563 4.841 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1CSC 1300939581 ZDLJGEUOKJLIAS-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](OCC)C1 1300974922 PPTMCSASWRKCRF-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1301085938 CPSQSVWOZURMAH-IBGZPJMESA-N 443.586 4.814 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCCC2)CC1 1301105713 MSACSXGONLBGTB-LJQANCHMSA-N 440.588 4.524 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1301130349 XOMUMOLVXOOSGI-AREMUKBSSA-N 434.584 4.583 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1301186077 QTSMLYZVAYWCEY-RBUKOAKNSA-N 434.588 4.827 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCS1 1301340122 VONQXXICQMVAQP-FGZHOGPDSA-N 437.613 4.870 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCCOC)C1 1301542939 UCRAARLNEIDNFE-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1301614998 CZIVFCROKIBTJI-INIZCTEOSA-N 429.540 4.659 30 10 IJEE CC(C)(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)CC1 1302297535 GIVBDFJVTINZBT-NRFANRHFSA-N 437.588 4.560 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccs2)CC1 1302477566 GVJYZIORKNVLOR-UHFFFAOYSA-N 434.613 4.887 30 10 IJEE CC(C)SCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1303573350 AHGMHIIJDDEJBX-UHFFFAOYSA-N 427.618 4.742 30 10 IJEE C=CCn1c(SCCN2CCOC2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1307245606 KAPLYSKFZHCBLQ-INIZCTEOSA-N 446.642 4.888 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1)c1ccc(F)cc1 1312933660 CYYKRFYBKKMARH-LJQANCHMSA-N 443.316 4.789 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cn(-c2ccc(F)cc2C)nn1 1354387371 CBAVIEKHCTWXEF-UHFFFAOYSA-N 443.457 4.881 30 10 IJEE COc1ccc2c(c1)C=C(C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)CO2 1356067633 ABVISJZLLMVWCJ-UHFFFAOYSA-N 428.463 4.711 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1358915062 QNMHPIVZFFRTIR-MRXNPFEDSA-N 437.535 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cscc1C 1359066128 OLIXWNHKFAMFFJ-JOCHJYFZSA-N 428.508 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccco1)N(C)C 1359074981 ZGYNGAHFIMJCFM-SQJMNOBHSA-N 449.624 4.767 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CC1CCCCC1 1359103518 PERLLFQTGFDYCV-WIOPSUGQSA-N 438.616 4.897 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCc1nccs1 1359127747 ZILHLYPZFKFBEN-UHFFFAOYSA-N 448.596 4.530 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1359165952 ANUBORUYISAWRY-CPJSRVTESA-N 425.596 4.675 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2cccc(C)n2)CC1 1359181921 MJWUOKSXLNHTQM-UHFFFAOYSA-N 437.975 4.859 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359200960 XSAFQLXDKHNGCX-QUCCMNQESA-N 425.577 4.651 30 10 IJEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359220388 XSHYCYRXMRPJDN-NRFANRHFSA-N 428.577 4.616 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCCCC[C@H]21 1359222773 RRAFFXGATTUBEY-VQIMIIECSA-N 448.409 4.787 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cnn2ccccc12 1359244027 NBYQNPVURSBYFE-UHFFFAOYSA-N 430.556 4.607 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccncc1)C1CC1 1359253608 NDVVJBHKMDJYNH-UHFFFAOYSA-N 444.366 4.956 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=C)C 1359264961 UTQGSXDSOAMPTB-HDICACEKSA-N 443.617 4.879 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1359342248 SLNJIDLRIAYOSR-PKOBYXMFSA-N 447.674 4.842 30 10 IJEE CC(C)[C@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)N1CCCC1=O 1361274561 AZFYLPOGRNPOQA-OAQYLSRUSA-N 445.441 4.955 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 1434954172 PEKCOOIHCQIXIJ-UHFFFAOYSA-N 448.450 4.597 30 10 IJEE Cc1ccc(C2(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCCC2)c(C)c1 1436537828 GRZGOMMVKNAJGQ-HXUWFJFHSA-N 449.982 4.810 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)c1ccccc1 1446506795 SQYQYJRLHNSNQS-HXUWFJFHSA-N 448.567 4.714 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)C1 1452998683 LBEODYOYDLMNKZ-KRWDZBQOSA-N 432.973 4.878 30 10 IJEE C#C[C@H](C)N(C)C(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1459679369 BTQXMWMTOZVCQB-NRFANRHFSA-N 448.588 4.522 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1=Cc2cccc(OCC)c2OC1 1460781885 SGXXKQPKFAOABL-UHFFFAOYSA-N 430.298 4.827 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 1461527589 CZCPINYVASJTOB-PXNSSMCTSA-N 439.021 4.769 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1ccccc1 1467207861 VLVFACGVQBYXDC-HNNXBMFYSA-N 430.302 4.609 30 10 IJEE C#CCN(C(=O)NC1CCC(c2ccccc2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1467596268 LSGBGZHDQLJWLX-UHFFFAOYSA-N 439.600 4.757 30 10 IJEE C#CCN(C(=O)NCc1c(Cl)oc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1470805171 JAPMIFMWTSHSHK-UHFFFAOYSA-N 445.947 4.631 30 10 IJEE C=CCn1c(SC[C@@H]2COCCO2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1472916575 UKZCXQPCLAXABE-SJORKVTESA-N 433.643 4.851 30 10 IJEE COc1ccc([C@@H](CNC(=O)COc2ccc(C#N)c(C)c2)c2c[nH]c3ccccc23)cc1 1473024942 HTTZKKAVWJBLBH-XMMPIXPASA-N 439.515 4.684 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1 1502164057 GDOFZFQRCMFZHT-HXUWFJFHSA-N 448.640 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC(C)C)nc1 1507521074 KEZWXLCBYRMRRR-ZWKOTPCHSA-N 449.624 4.820 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(C)CCCS1 1507544164 YSNCLCYNZNJIQV-WZONZLPQSA-N 447.048 4.995 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(OCC2CC2)CC1 1507574374 NPKATTLMRMGRRM-SFHVURJKSA-N 442.991 4.880 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507579224 PBCHMJIAAXYYGS-HNNXBMFYSA-N 441.295 4.900 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](c2ccco2)C1 1507580093 RTYONTGWDVPXNE-INIZCTEOSA-N 425.330 4.708 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H]1CC=CCC1 1507580347 AWKHMHVZTTYJSU-KRWDZBQOSA-N 443.389 4.922 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1507846851 ZVGWTCMAMGYKAR-QFIPXVFZSA-N 438.597 4.873 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC2(CC2)C1 1507873054 PMYWWXOBBXWWDO-UHFFFAOYSA-N 443.762 4.533 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1Br 1507917083 YFHTWAYLIWHVAU-QGZVFWFLSA-N 433.394 4.783 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1507932880 BQBFLWXHYGVPDZ-MAUKXSAKSA-N 426.458 4.520 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1507933633 RAVXNNKTVJPOHL-UHFFFAOYSA-N 447.986 4.588 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507960491 ZHDGQRRWCJYASH-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCc2nccn2C1 1508012473 XUEXYBOCHHDTLN-HXUWFJFHSA-N 430.600 4.880 30 10 IJEE C=CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccc(OCC)cc1 1508068256 WLMXMJBPYGJZCX-KSSFIOAISA-N 430.459 4.523 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(OCc3cscn3)c(OC)c2)cc1 1516444016 IXWQKWDWVZTWBG-UHFFFAOYSA-N 425.531 4.813 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1cccc2c(Br)ccnc12 1521640819 FFHNFVPXHNIPLQ-UHFFFAOYSA-N 431.087 4.884 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1525311477 BUZGQDVJZMPWNH-SFTDATJTSA-N 440.609 4.572 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1 1527584308 OICUQPJLSVAWLE-UHFFFAOYSA-N 427.323 4.761 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)c1ccc(F)c(F)c1 1529492473 QGIXAPKEYMMEIK-CVDCTZTESA-N 426.507 4.867 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2cccn2-c2cccc(I)c2)c1 1537367281 UWUBVXJKMNCVAU-UHFFFAOYSA-N 440.284 4.730 30 10 IJEE C=CC[C@@]1(C(=O)OCc2cc(OC)ccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1538068534 GKPIBZVWVKJMGF-QFIPXVFZSA-N 441.471 4.686 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC23CCC3)c1 1538399512 ULUPXZMJGXOYOE-UHFFFAOYSA-N 444.984 4.880 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2)cc1 1538861594 JPTDATQJHFJCMM-RUZDIDTESA-N 426.472 4.767 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN(C)C1CCCCC1 1538983120 NQWQZBJSOYSQOL-GOSISDBHSA-N 445.558 4.659 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1539133715 IOMZUSYPIQKBPL-FQEVSTJZSA-N 436.556 4.582 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@@H](C)C1 1539160970 HBNWTVKEANQIFX-GOSISDBHSA-N 437.588 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1539631157 JLZBMBQYKANKKP-MZKRTTBSSA-N 444.645 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1539655170 JGSGVOQAEZJPEI-HXUWFJFHSA-N 438.576 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539926006 GBNIQPXFECOEDH-QFIPXVFZSA-N 448.615 4.749 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539926465 NGDSRUIYLCXISF-JOCHJYFZSA-N 439.652 4.738 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCSC1(C)C 1540048567 YRFHTQXMSPNBCQ-MSOLQXFVSA-N 430.618 4.971 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccc(C)cc1 1540854592 RUPWBPJKNCFEKW-SFHVURJKSA-N 426.362 4.882 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](OCCC)CC1 1540855233 IKGLLFCSAGZBCQ-GOSISDBHSA-N 433.394 4.988 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 1543023061 ADVOAMZWLIFDPU-PXNSSMCTSA-N 444.572 4.501 30 10 IJEE CC(C)n1c(O)nc2ccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cc21 1546342061 SWEYMUSSDPWOQN-QHCPKHFHSA-N 440.503 4.896 30 10 IJEE CCN(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)c1ccsc1 1547436350 GDXLUJTZAGQISR-OAQYLSRUSA-N 426.634 4.820 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C(C)C 1555554878 BAYJNBVMTSGVGW-UHFFFAOYSA-N 448.409 4.756 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1556313412 XEEXBCFGUBCDJN-IBGZPJMESA-N 441.371 4.848 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 1557390864 DALKUFIKULEWQV-UHFFFAOYSA-N 426.097 4.531 30 10 IJEE C=CCn1c(S[C@H]([C@H]2CCOC2)C(F)(F)F)nnc1-c1ccc(Br)cc1 1559333818 JAKRPFCTCWQNQJ-GXTWGEPZSA-N 448.308 4.953 30 10 IJEE C=CCOCCCNC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1564114399 LTTQUWJWWLNEEB-CQSZACIVSA-N 438.391 4.834 30 10 IJEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1)[C@@H]1CCCc2ccccc21 1565045663 AUZOJWFNDLBNRV-OAQYLSRUSA-N 425.573 4.546 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccc(Cl)cc1F 1583585334 RMKFOZXFPNRYCH-NRFANRHFSA-N 447.897 4.990 30 10 IJEE COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 1583778924 ACFVMGZAINNXMA-MHZLTWQESA-N 440.499 4.616 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cncc(OCC(F)(F)F)n2)cc1 1585787617 GGKDAOUHDFJFQV-UHFFFAOYSA-N 428.370 4.642 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)c1nc(C)cs1 1588266142 MAPGMUYVXZFPKL-RDJZCZTQSA-N 427.549 4.585 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H](C)c1nccs1 1589036521 KIUIKSDALYDZGJ-KRWDZBQOSA-N 448.621 4.556 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)CC)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1589589573 KGROAVSMMJRCIF-FUMNGEBKSA-N 431.625 4.697 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@@H]2CCCO2)CC1 1593722477 QUAIJYFDOUOLFG-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2sc(C)nc2C)CC1 1594202953 WKYNWOWIERUUPG-UHFFFAOYSA-N 447.406 4.560 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)c1ccccc1 1594534352 KFASVJQZJQHJPZ-QTJGBDASSA-N 448.615 4.562 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1c(C)nn(C)c1C 1594608531 NYWLSPNVACRNRC-UHFFFAOYSA-N 445.571 4.943 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(C(C)C)C1 1595076285 ZOCLINFFVGFSHS-QFIPXVFZSA-N 448.615 4.595 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CC1CCN(C(=O)OC)CC1 1595127279 LNTHEYPIDJYOSI-GOSISDBHSA-N 443.567 4.602 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1595330242 PIXMJGIUOYPSKE-LLVKDONJSA-N 434.288 4.624 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1595343732 SHCAFLOGAFSGSE-SFHVURJKSA-N 425.396 4.597 30 10 IJEE C=CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2)C(=O)OCC 1611408071 FTIIXMOPVQCJKL-OOPWQZCMSA-N 426.516 4.959 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@](C)(O)c2ccsc2)cc1 1613773710 HSQYBYIASLNNRQ-XMMPIXPASA-N 435.597 4.607 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)nc1C 1616296136 XKKCQOFXPSYURZ-JKSUJKDBSA-N 425.583 4.544 30 10 IJEE C#CCN(CC1CC1)C(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1623230765 HHMXASCKYCNBED-SANMLTNESA-N 442.559 4.732 30 10 IJEE COc1cc(NC(=O)[C@H](C#N)CCc2ccccc2)c(OC)cc1NC(=O)c1ccccc1 1624068170 AUFONJDLEWGNTB-FQEVSTJZSA-N 443.503 4.667 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3cccc(SC(F)(F)F)c3)cc2C1=O 1626201645 FFSFZOSYSXQHSL-GFCCVEGCSA-N 434.439 4.572 30 10 IJEE C#Cc1cccc(CNC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1626494830 GCYICWTYKAKGFZ-UHFFFAOYSA-N 438.527 4.555 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(COc2ccccc2)cs1)c1ccc(Br)cc1 1626626979 YNZODUXINJKOQE-SFHVURJKSA-N 442.338 4.981 30 10 IJEE C#Cc1ccc(NC(=O)NCc2cccc(-c3nc(C(=O)OC)cs3)c2)c(Cl)c1 1627814688 KOFODRAUXQTJKH-UHFFFAOYSA-N 425.897 4.553 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1 1628024701 RSEUHVVHXAMJRM-UHFFFAOYSA-N 437.540 4.780 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 1633625188 GJJYPMMUVJJCPF-WWOZWPLTSA-N 436.618 4.922 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)C1(c3ccccc3Br)CCCCC1)C2 1639992718 DIJCQPQYRILXIM-UHFFFAOYSA-N 444.398 4.751 30 10 IJEE COc1ccc(-c2nc(SCc3cccc(C(=O)C(F)(F)F)c3)nc(O)c2C#N)cc1 1643498334 TVYVXGVXTWIHEG-UHFFFAOYSA-N 445.422 4.767 30 10 IJEE COc1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)ncc1Br 1648694106 DLVVXHAWACEBSJ-UHFFFAOYSA-N 438.281 4.556 30 10 IJEE C=CCn1c(Sc2nc(Cl)c(C(F)(F)F)cc2Cl)nnc1-c1cnccn1 1651616360 FLJZZLGGLNCFBM-UHFFFAOYSA-N 433.246 4.793 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 1651981990 DENMMUUYLLSOOE-LJQANCHMSA-N 437.565 4.839 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)NCc1ccc(Cl)cc1 1653289308 FBHWTUGPNBLUGY-CQSZACIVSA-N 439.756 4.935 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCC([C@@H]3CCCCO3)CC2)n(-c2ccc(C#N)cc2)n1 1661695190 CSQRFIIMCSGBHE-NRFANRHFSA-N 435.572 4.854 30 10 IJEE COc1cccc(-c2cc(CNC(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)on2)c1 1667421626 GBZJIOSMIFVWTA-UHFFFAOYSA-N 441.447 4.731 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2I)C1 1673751613 NNOGWOOAVKUTRB-LLVKDONJSA-N 449.130 4.874 30 10 IJEE CCN(CC)[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)(F)F)cc1 1677794947 AIKFFOVNGRZMNE-FCHUYYIVSA-N 444.501 4.947 30 10 IJEE C=CCC1(CNC(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CCCC1 1681085296 ULUILGXKNURWTD-FQEVSTJZSA-N 433.515 4.754 30 10 IJEE C=CCC1(NC(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CCCC1 1684321429 PSIMJNYCYJGFAW-RZJSWYKGSA-N 427.589 4.800 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCSc1nccs1 1689865686 ZXCMDSFLTPBFKY-KRWDZBQOSA-N 443.667 4.976 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 1690451237 BALNLPZCSRMXCX-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1690496745 XGLNOCQHLZWTQO-MOPGFXCFSA-N 436.478 4.693 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN1C1CC1 1690560031 NRHIHYCPSXOWGS-XMMPIXPASA-N 446.643 4.948 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1 1690602553 RGIMTJWXBFLILU-JTHBVZDNSA-N 431.584 4.780 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1C 1690609674 WTBKTGVSBJNFNC-PKOBYXMFSA-N 425.602 4.898 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1690735684 GBDKCBWRGDJXQS-PIIMJCKOSA-N 433.419 4.862 30 10 IJEE C[C@H](COCc1ccccc1)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1692739081 IFGHOQXRPVFQIN-UWDQQESISA-N 437.588 4.503 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@](F)(C#N)C2)s1 1693305522 FGBGYHSMFQTRRQ-YUNKPMOVSA-N 448.930 4.748 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCCCC1 1705670981 QFQOQRQONBLARU-XMMPIXPASA-N 443.998 4.994 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(C)cc1)N(C)C 1705671107 WJKCXYPUSTZVAX-PXDATVDWSA-N 449.002 4.597 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)CCSCC 1705683347 DZWVSDXHTAYQBN-HNNXBMFYSA-N 439.423 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccccn1 1705697488 VMINCLJMPLJEHH-IERDGZPVSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)C1CCC1 1705697760 NICKFYNRCSEUIQ-LPHOPBHVSA-N 431.378 4.678 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCOC2(CCCCCC2)C1 1705729625 KKZDPLAWKWGFCZ-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705761088 ZXVNQMHGKLEKDG-BDXSIMOUSA-N 436.000 4.570 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C(F)(F)F 1705797946 HFBIIDKHRSOMHH-UHFFFAOYSA-N 449.521 4.764 30 10 IJEE C[C@H]1CCCC[C@@H]1OCCn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1 1708044546 CZXNVLYGKKBGQI-AVRDEDQJSA-N 425.552 4.810 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1711542696 AORNSLGFHDTBFD-MFSJNOQSSA-N 443.567 4.538 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1nc(C)cs1 1722355529 LOBKOVQODAUDEB-KRWDZBQOSA-N 437.613 4.793 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1722363348 XDHGPTDWBJSEIL-SZPZYZBQSA-N 439.673 4.706 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCc2sccc2[C@@H]1CC 1722483062 HEEGEFBDRMOGQT-INIZCTEOSA-N 430.375 4.824 30 10 IJEE C=C(Br)Cn1c(N2CC[C@H](COCC)C2)nnc1C1(c2ccccc2)CCC1 1722489234 NURBGJNINNRNOR-SFHVURJKSA-N 445.405 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)C1 1722491958 PALVLSRVYPOVAC-RSGTVAAISA-N 446.542 4.723 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H](OC)C(C)(C)C 1722498038 LUNZBMKTZIXIHT-WMZHIEFXSA-N 430.980 4.564 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(OC)CC1 1722528504 HPKCETUCIVAHPR-RCZVLFRGSA-N 426.605 4.808 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(c3ccccc3OCC)CC2)nnc1C(C)(C)C 1722593545 VNIRQJJQAKRJLU-UHFFFAOYSA-N 425.621 4.903 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](OC)C1 1722613182 VXMANXZSZLXXTF-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1722617267 HVFXLOIXIYEVJH-RDGATRHJSA-N 444.627 4.719 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@@H]1CC 1722617398 JJRDHGSOKUENOX-ZCNNSNEGSA-N 431.625 4.984 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1722676189 VKBNSASXIMLCJO-UPVQGACJSA-N 443.551 4.626 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1722733088 WVQGFMWHIVUKBX-QGZVFWFLSA-N 445.036 4.562 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2Cl)CC1 1722741007 YBNLFPHVSGJGKJ-UHFFFAOYSA-N 432.037 4.835 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCSC(F)(F)F 1723974706 CLVBPFNLFJYXTP-CYBMUJFWSA-N 443.470 4.550 30 10 IJEE COc1ccc(Br)c(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC2(C)C)c1 1730031348 BXLLBUCAQOGOTM-HNNXBMFYSA-N 444.377 4.502 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H](OC)C1 1740567586 MFHDNBPNKRALBT-HXUWFJFHSA-N 435.597 4.796 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N(C)Cc1ncc(CC)s1 1740747351 GGNLCFDMYNJGRW-UHFFFAOYSA-N 446.418 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1740759671 KGYQXIGPAUNWNC-NOXFTYBFSA-N 426.580 4.862 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 1740812033 LWDKDNNLLDLJKP-UHFFFAOYSA-N 428.161 4.764 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nccs2)CC1 1740836146 QMMNBZUHDCOKPO-UHFFFAOYSA-N 444.402 4.809 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCOC2)C1 1740847062 WDVLRYPRJZJFJM-QFIPXVFZSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740852421 NFRLQKUEMICVKH-YADARESESA-N 428.577 4.508 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1cccs1)c1ccccc1 1740853734 IJOPSIPDJDZWQA-PZJWPPBQSA-N 435.597 4.677 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@](C)(CC)O1 1740920998 IQCDNBBZABQMGB-CZSZKKDXSA-N 442.579 4.852 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)[C@@H](C)CC 1740921286 PLSYABNEFZDGGG-AVRWGWEMSA-N 437.563 4.777 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C(C)(C)C)C1 1740970829 CVDNPXMKGJRCCH-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCO[C@H](C)C1 1742949404 AJADQAXOVRXGDQ-HBFSDRIKSA-N 441.551 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 1748685242 WOGMVRVBIMZNFE-HXUWFJFHSA-N 447.583 4.552 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1748723865 BMAZHEKUJJAURH-HSZRJFAPSA-N 430.980 4.709 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C2CC2)CC1 1748833329 OPVNCJUKWWVAOX-UHFFFAOYSA-N 443.776 4.624 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)C(F)(F)F 1748867141 ARCGOYGACHRAAY-MRXNPFEDSA-N 436.453 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C(F)(F)F 1749071811 SOJPLHOFOJQZJZ-OAQYLSRUSA-N 445.514 4.693 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C(C)C)C1 1749174230 KJJKMVGNQJRBGB-NQIIRXRSSA-N 430.618 4.971 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1749231445 QCJQJEXNFPUROX-UHFFFAOYSA-N 440.485 4.770 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)C 1749398368 FIXINDYODDTMRI-UHFFFAOYSA-N 436.604 4.904 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1749528510 SNSCEDBMNPVWEU-JYFHCDHNSA-N 447.583 4.889 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCCN(C(C)(C)C)CC2)cc1 1749683558 XSBSUIIQCBUDBH-HXUWFJFHSA-N 425.621 4.715 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2nc(C(C)(C)C)cs2)C1 1749712248 HEUMZERUWWVUND-KRWDZBQOSA-N 431.650 4.645 30 10 IJEE Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1 1751348834 DVELOTWNLKIGTA-QGZVFWFLSA-N 448.552 4.527 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760149624 PCFACQYSLBRVGC-NRFANRHFSA-N 433.531 4.503 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H]1C[C@H](F)C1 1760196390 MSFPFKMFQDOHLK-KESTWPANSA-N 433.556 4.588 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1760247125 PETBDAMZYAGCLC-ATIYNZHBSA-N 438.616 4.676 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760274724 MQNOKOJXORYSQW-UEXGIBASSA-N 426.630 4.884 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 1760317294 DIBKXHVCMIQYSR-OWHZGTRUSA-N 437.563 4.666 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC2(OCC)CCCC2)CC1 1760393328 NFXKXERNKMTASK-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760406325 APDVDBYSNRYTTF-FQEVSTJZSA-N 429.653 4.869 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760433515 HNEPTUXNKQIZOI-UHFFFAOYSA-N 448.615 4.827 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 1760443886 PNAQJUYEKNLVSG-UHFFFAOYSA-N 427.549 4.803 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760467281 XDEKRYRNHTWODV-NBGIEHNGSA-N 425.621 4.607 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1760510748 MXDKQCVWYHTYSD-ZGXWSNOMSA-N 429.609 4.594 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1765780317 AKSSKORDSFWVAP-PGRDOPGGSA-N 449.958 4.500 30 10 IJEE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(N)=S)CCC2 1772749657 DNDMIPASHYJHMY-UHFFFAOYSA-N 434.521 4.506 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 1862382576 DLZVKTCCQIEIHP-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)cc1 1862413567 GOAJCEKNFFHTOV-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1OC 1862419747 XSEWMSGYEJLMHD-OAQYLSRUSA-N 443.446 4.503 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862445279 RVQBCDZYLGJDIZ-QFIPXVFZSA-N 449.890 4.838 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)ccc1O 1862481015 UWQHCECSOTXFHZ-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862527108 OUVYKKUSKDPURR-IBGZPJMESA-N 439.309 4.917 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862536775 HFHLYGAZLHIQMC-QFIPXVFZSA-N 433.504 4.557 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Cl)cc(Cl)c2)cc1OC 1862577986 BVCRBKOPSVPEKR-IBGZPJMESA-N 448.302 4.751 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccccc1F 1862662438 KAXXRLWLRUQWIP-JOCHJYFZSA-N 425.500 4.954 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 1862676703 PERSUFAULMRTQJ-LJQANCHMSA-N 438.436 4.574 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862701085 WDYBIJVQGOPRAS-JFJYTDJESA-N 435.520 4.861 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1862706479 XRMXEKWHLPHSFQ-LJQANCHMSA-N 433.426 4.948 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862728309 YFFUFQNIMLQVLK-QFIPXVFZSA-N 428.444 4.860 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1ccccc1F 1862747283 OMZNFACXFWLCEM-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862759741 XQASCHNYIRVSED-BTYIYWSLSA-N 438.480 4.760 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 1862953752 YXJXUWXPKPDACB-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2cccc(Cl)c2C)C1=O 1863050699 LNXRRMLHAWEYRC-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCOc2ccccc2)C1=O 1863505869 WSIMUFFFZKOTED-UHFFFAOYSA-N 438.543 4.935 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(F)cc1 1864779993 WZNIKONYAZORBE-OAQYLSRUSA-N 442.579 4.819 30 10 IJEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868221761 XWZYISHBORWRQA-JOCHJYFZSA-N 430.531 4.847 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(-c3ccccc3)n2)c1 1868354513 FDNCKGZSKJUWCN-HSZRJFAPSA-N 434.503 4.732 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)nc(-c2cccnc2)n1 1869370063 XHEPURORGJQRGT-WMZHIEFXSA-N 445.542 4.823 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)c1ccc(Cl)cc1 1870139948 RSHOSIGBODMPSK-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C#N)nnn2-c2ccc(C(C)(C)C)cc2)cc1 1870145616 IPNCRFGFULARBC-QGZVFWFLSA-N 431.540 4.966 30 10 IJEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2cccc(OC)c2)cc1=O 1870833635 PJBLPTITTXVWAM-QHCPKHFHSA-N 428.573 4.997 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4OC)ccc3C2=O)cc1 1871386477 WVMCHPATSXKDLY-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(O)c3CN(C)C3CCN(C)CC3)C2=O)c2ccccc21 1871393095 NCKIJKRCRZZCFF-MYYYXRDXSA-N 445.563 4.509 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871432581 DFCSPNOPWVJZFB-QWQBBLJPSA-N 440.492 4.739 30 10 IJEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 1871437796 CLSLOSPQHWIOQA-OYKKKHCWSA-N 444.531 4.931 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871443393 ZPGSQOWMKVDFCH-MTJSOVHGSA-N 435.863 4.988 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514128 PCVAHBMBNZVUAY-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1)S(=O)(=O)CCCC 1872459859 ZYKXRHPTANQJNI-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCCCCCCO)ncnc21 1873642893 POTSJKYSDRJHNG-UHFFFAOYSA-N 441.963 4.796 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1C(=O)O 1874222907 IQCDXTRMMWJIOC-LFVJCYFKSA-N 438.553 4.545 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874225981 MQYFIUXTEXMFQR-HZHRSRAPSA-N 439.541 4.809 30 10 IJEE CC(C)(C)N1C[C@@H](c2nnc(SCc3ccccc3)n2/N=C/c2cccs2)CC1=O 1874277708 CPMRCXALUXZEJR-WQGFDPGOSA-N 439.610 4.629 30 10 IJEE OCCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(C(F)(F)F)cc1 1874367884 JCJZBXZHSVKOPA-WYMPLXKRSA-N 440.878 4.974 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2ccncc2)cc1 1874387946 MMDVDLIXYALYRQ-MFKUBSTISA-N 444.520 4.655 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cccc(C)c1 1874435864 BOXONGRBBLBPFJ-YSURURNPSA-N 448.379 4.704 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cccc(F)c1 1874507184 POTJXPUHEFTKCT-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NC[C@@H](c3ccsc3)c3ccco3)n[nH]2)c1C 1891565116 JKNSVIWCVHMHOX-SFHVURJKSA-N 435.553 4.683 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1976433489 CYIPKVJSJBLSOK-LIRRHRJNSA-N 435.487 4.715 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 2032369817 VQBXHGTVRFQCBZ-XLIONFOSSA-N 445.560 4.976 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2035956187 QFVQUNHUEGWEKZ-BBRMVZONSA-N 433.749 4.809 30 10 IJEE C#CCN(C)CCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071252243 MUBKVIMMXJKZNR-UHFFFAOYSA-N 428.576 4.889 30 10 IJEE CC1(C)OB(c2cnc(N3CC[C@@]3(C)CCOCc3ccccc3)c(Cl)c2)OC1(C)C 2077044272 SCTLBCMASKPXFG-DEOSSOPVSA-N 442.796 4.610 30 10 IJEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)c1scc(Cl)c1Cl 2157041762 OANWJDTUZCVMDE-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2159127715 JGFGTUJHVLYLBY-RBUKOAKNSA-N 437.422 4.975 30 10 IJEE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cc(Br)cc(F)c1C#N)C2 2163706210 OGMFWJXYRWBDOQ-VXKWHMMOSA-N 428.349 4.808 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2cc(Br)cc(C#N)c2)(C(F)(F)F)C1 2167679633 UFPTWOAQYQSSOK-QGZVFWFLSA-N 448.283 4.922 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC[C@H](CC#N)C2)cc1NC(=O)OC(C)(C)C 2181048103 QVVFHBUPBDDXTD-CQSZACIVSA-N 436.350 4.870 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181104283 XVVBCRUGMQASRU-IPYPFGDCSA-N 436.350 4.541 30 10 IJEE Cc1cnc(Oc2ccccc2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232310759 BYYORKDBKYPPPQ-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 2235732216 YGGHAOFQCGMGFR-AZUAARDMSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255801818 QPLOPBIZIFPTRR-UHFFFAOYSA-N 430.354 4.666 30 10 IJEE C[C@H](NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2255866951 WXEOCDADFQFIJO-BMGDILEWSA-N 430.354 4.693 30 10 IJEE C=CCCC1(C(=O)N2CCc3cc(Br)ccc32)CN(C(=O)OC(C)(C)C)C1 2281048697 SZXQPJYAQICLOV-UHFFFAOYSA-N 435.362 4.542 30 10 IJEE C=CCCC1([C@@H](O)Cc2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281057067 YBNWQDPSGQOKOM-INIZCTEOSA-N 446.332 4.834 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCN1C(=O)OC(C)(C)C 2296216738 NGIMEMNRBSFXMM-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2306366301 VGBFZVBFPVFGRW-CPJSRVTESA-N 430.589 4.993 30 10 IJEE Cc1nnc(N=C2SC(=Cc3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)s1 2314547420 HLSDQZUBBPXKHJ-UHFFFAOYSA-N 429.527 4.691 30 10 IJEE CC[C@@](N)(C#N)CCCSc1cc(I)ccc1Br 2316472523 MRMRORQCWRSSQN-ZDUSSCGKSA-N 439.160 4.557 30 10 IJEE COc1cc(C=Nn2c(S)nnc2C2CCC2)ccc1OCc1ccc(Cl)cc1 2321901700 KAYKAIUQYGCXDD-UHFFFAOYSA-N 428.945 4.958 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2COc2cccc(C)c2C)cc1OCC 2322052273 JSESHEFUVIJLJJ-UHFFFAOYSA-N 440.569 4.832 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)C=Cc3cccc([N+](=O)[O-])c3)ccc2C1=O 2323433395 GPSRZMCVQUWHFY-UHFFFAOYSA-N 443.411 4.838 30 10 IJEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(C(=O)OC)cc3)n2)cc1 2324505481 LKFVKDFVUWLNNC-HXUWFJFHSA-N 432.501 4.885 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c1 2324807295 FDTRLYOVMGAKJP-INIZCTEOSA-N 445.471 4.726 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)cc1 2325009129 NOHACQGVNMEDFQ-SFHVURJKSA-N 443.499 4.958 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1ccc(N2CCCCC2)cc1 2325702573 OJGKZMYLOUZKTA-UHFFFAOYSA-N 431.305 4.800 30 10 IJEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC(=O)c1cnccn1 2325773223 QJKRWWZMWDYCPJ-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326899324 SUQAGIWYGKFDES-UHFFFAOYSA-N 441.557 4.645 30 10 IJEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cc(OC)c(O)c(OC)c1 2327737556 JFOVSNVXIGIHQZ-UHFFFAOYSA-N 448.548 4.739 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)CCCSC 2331020456 KNENTTBLVDCTKH-UHFFFAOYSA-N 445.493 4.557 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)ccc1O 2331177813 BLXUOXDYAOGQFO-UHFFFAOYSA-N 438.484 4.956 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331416583 KDLGEYTYIBNPMK-UHFFFAOYSA-N 429.373 4.810 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccccc1Cl 2331640741 WCMPZZXJJWQUST-UHFFFAOYSA-N 427.961 4.805 30 10 IJEE CC1(C)CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339534311 DTDXRDVRWNFPJR-UHFFFAOYSA-N 433.405 4.827 30 10 IJEE Brc1ccc(I)cc1COCC#Cc1ccccc1 2341771560 ADHCUDAUJDWTOM-UHFFFAOYSA-N 427.079 4.622 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360956316 NZQMMJNNRFPNLL-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#C[C@H]1CC1(C)C)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2365079281 FNGYAAIMMHBQCP-QXAKKESOSA-N 435.406 4.522 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)c1ccc3c(c1)OCO3)C2=O 8823910 NFNJBLKISCLLAU-KSEXSDGBSA-N 430.412 4.649 30 10 IJEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1O 21238708 VPRMUFKXTKDXHL-UONOGXRCSA-N 432.303 4.712 30 10 IJEE Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(O)cc1 33347538 KFUYICSGCRCEFE-UUYOSTAYSA-N 429.501 4.908 30 10 IJEE C=CCc1ccc(OCCn2c(CCCCCNC(=O)C=C)nc3ccccc32)c(OC)c1 40219616 LIUGLPXBABSPIM-UHFFFAOYSA-N 447.579 4.867 30 10 IJEE Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 58962680 TZEHUPGTQJHWEZ-BKUYFWCQSA-N 431.517 4.992 30 10 IJEE COCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)S/C1=N/c1ccccc1 101695310 ZOZZDQVSQYJXSK-OUUNKBNMSA-N 447.354 4.708 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1OC 169941494 LGHGSHMSZFBVFT-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccc(O)cc1 169962027 RNGINPUFNLCHSA-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968015 FVHOIXUAWPBSLZ-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccccn2)c1 169990572 LEAWYXAHNSRADV-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccncc2)ccc1F 170026181 ZCIGQNLDSCDEMF-FQEVSTJZSA-N 445.475 4.922 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 170068691 CHNBUWXYFIEFSN-LJQANCHMSA-N 445.302 4.699 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 170134398 PHIOZONYSVATOY-QFIPXVFZSA-N 433.460 4.551 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccs2)c(C)c1 170166829 YZAMHPNEABXVDF-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)ccc1Cl 170170399 SOMAUZOEVFMWTQ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)ccc1Cl 170183986 WJYXQCUBUPFWJH-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(OCC)c1 170218384 RXTWPVAXPFGVTD-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc3ccccc23)c1 170220386 VHZLSXIJUZNHFR-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1cccc2ccccc12 170221104 WJZHLBWEOKOIBI-DEOSSOPVSA-N 442.515 4.657 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)cc1 170227059 KRYCCDWFIGLZAT-HSZRJFAPSA-N 427.456 4.549 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1cn(C)c2ccccc12 170269721 VZXZNVFEJICELP-QHCPKHFHSA-N 432.520 4.792 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1C 170305274 WVPWRJQFUZRENI-QHCPKHFHSA-N 442.471 4.950 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(OC(C)C)c2)cc1 170475446 HISHMSAWGLPRQA-QFIPXVFZSA-N 437.536 4.993 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C\c2cccc(OCC)c2O)C1=O 206883152 MYQDAZIDHUSODX-AQTBWJFISA-N 425.506 4.643 30 10 IJEE N#C[C@@H](C(=O)c1cc(I)ccc1Br)c1cccc(F)c1 236237665 SXLHCLRHQZQMOA-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc(C#Cc2ccccc2)c1 248265949 XWQYONONHJBION-DEOSSOPVSA-N 432.470 4.758 30 10 IJEE COc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1 254898670 WVJLIYBMPSGPPW-UHFFFAOYSA-N 446.528 4.740 30 10 IJEE COc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CS 382697630 LTNSEDAWQKQIOK-QAPCUYQASA-N 436.371 4.740 30 10 IJEE C#CCN(C[C@@H](NCCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 407209060 PZVPGEAFWIGEDV-OAHLLOKOSA-N 431.321 4.638 30 10 IJEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 460788563 CGMIVOUOSKPJCX-YADARESESA-N 448.567 4.815 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464239022 XOMKDEWGVMCJRR-HJPURHCSSA-N 443.544 4.704 30 10 IJEE N#Cc1cc(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccc1C(F)(F)F 480094971 MMPTZYIPQSTEDH-MRXNPFEDSA-N 439.441 4.936 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(OCc4ccccc4)cc3)[nH]2)c1 492053813 FMXDOSSGNDDVFL-JWQCQUIFSA-N 448.526 4.947 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 508724429 RPJLIRVZUHDOIJ-SFTDATJTSA-N 448.542 4.712 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 519513904 IGTGUJRSZNWOBD-INIZCTEOSA-N 437.475 4.687 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(SCc3ccco3)C2=O)c1 526668836 VFBDQRLESSBNCR-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE O=C(Oc1ccc(/C=N\n2cnnc2SCc2ccccc2)cc1)c1ccc(F)cc1 526800921 UKTDXSXTMCHDAL-WGARJPEWSA-N 432.480 4.811 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(OC)ccc1OC 526802076 AREOWIWZQXGLHF-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc1[N+](=O)[O-] 526824991 DMHCMVQQRFNHIZ-QRVIBDJDSA-N 443.504 4.851 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccccn2)cc1 526829491 LTAYYIJMGHVWEN-XYGWBWBKSA-N 444.520 4.541 30 10 IJEE COc1cc([C@H](C)N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC1CCCC1 538149980 GPIFAXCARNBJJT-JKSUJKDBSA-N 425.529 4.776 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cccc(C#N)c1 610366703 RPSJDIALHANMTO-JLTOFOAXSA-N 432.351 4.887 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1 733202212 PHKSQAQAUFXRPB-QGZVFWFLSA-N 446.359 4.977 30 10 IJEE Cc1nc(COc2ccccc2C(=O)OCc2cc(Cl)ccc2OCC#N)cs1 735338836 AYIFUQNAEIXMFT-UHFFFAOYSA-N 428.897 4.943 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@H](C)c2ccc(C)cc2)C1=O 737414579 NFOXQYYQTYMSTK-HNAYVOBHSA-N 429.973 4.520 30 10 IJEE COc1cc(C)c([C@H](C)NC(=O)CSCc2cc(Cl)ccc2OCC#N)cc1OC 762811491 GTBLMHXQXNBXRS-HNNXBMFYSA-N 448.972 4.679 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccnn2C2CCCCC2)nnc1-c1ccco1 765397949 XTRWGSVIBCWCHH-UHFFFAOYSA-N 426.546 4.547 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)n2)c(Cl)c1 782835124 HEUXHKCTNLLDKP-UHFFFAOYSA-N 449.829 4.634 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)OCc3noc(-c4ccccc4O)n3)cc2)cc1 783623448 DPHFFTUESUZISK-UHFFFAOYSA-N 427.416 4.658 30 10 IJEE Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)[nH]c12 789376562 BPOAACFNRPKXNQ-FQEVSTJZSA-N 444.535 4.697 30 10 IJEE CCOc1cc(C=NO)cc(I)c1OCc1ccccc1Cl 1081492672 CJBADFXOVRIVCJ-UHFFFAOYSA-N 431.657 4.730 30 10 IJEE CCCCOc1cccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccccc3)n2)c1 1084283316 PIWWLUWTPHUUIE-UHFFFAOYSA-N 438.557 4.551 30 10 IJEE C#CC[C@]1(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1129324141 DAFWVBRBFXCWHW-WMZHIEFXSA-N 449.016 4.826 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccc(Br)cc1 1130165482 FTACQLJUPCCLDG-ZDUSSCGKSA-N 425.248 4.951 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 1140505234 KXCSLVULAYIWSH-FQEVSTJZSA-N 430.593 4.548 30 10 IJEE C#CCN(CC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C)C(=O)OC(C)(C)C 1152060213 DQWCSZGPZGNMOH-SFHVURJKSA-N 438.490 4.670 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1152612150 IFQVUJJZANGRMR-UHFFFAOYSA-N 438.549 4.568 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c(OC)c1 1160177785 VSJGOGNNRPVZKM-UAPYVXQJSA-N 430.342 4.627 30 10 IJEE Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1161046219 HUZOYPBPDSJILN-FQEVSTJZSA-N 432.549 4.773 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(CC)[nH]n1 1162743496 KCOPDGNMRBKNOH-HSZRJFAPSA-N 444.535 4.784 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)c1 1167072823 URHZXLXVJVUWNT-UHFFFAOYSA-N 431.389 4.551 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCc1ccccc1)c1ccccn1 1171655174 MRKFYWAIIQRXDO-RTWAWAEBSA-N 443.975 4.908 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCc1ccc(OC)c(OC(F)F)c1)c1ccc(F)c(F)c1 1221651355 FYTRJKOELLCJEL-LJQANCHMSA-N 426.410 4.734 30 10 IJEE Cc1nc(NC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)sc1SCC#N 1264624219 GORAFOWWTNYJMB-UHFFFAOYSA-N 444.582 4.613 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCCOC1 1286317855 PRMQLDDSRFWBPX-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCCCCC2)C1 1286356886 OHCICFKNPUFFLK-UHFFFAOYSA-N 436.600 4.817 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1286507924 MPBQYNHAUYOULA-LJQANCHMSA-N 440.613 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CCCn1cc(Br)cn1 1286571992 WSERVFVHBGEBHA-UHFFFAOYSA-N 443.393 4.705 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286621352 CFXXUEPLXSCKOE-HXUWFJFHSA-N 445.995 4.630 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1286640943 PVVITJAEDMNYSR-OAQYLSRUSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@](C)(O)CC)CC1 1286665275 YHQKYPKMQZAJIM-XMMPIXPASA-N 447.023 4.815 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC1(OC)CCCC1)C1CC1 1286732891 HNXBEDVZKBDMAN-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C#CCCCn1c(C2CC2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1300404331 XJNWZORUMLZAOW-UHFFFAOYSA-N 437.897 4.568 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1CSC 1300746119 PGARTMXFGXDVEF-OAHLLOKOSA-N 441.453 4.950 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N(C)C1CCC1 1300829454 DCZARGLDIBROTI-UHFFFAOYSA-N 426.156 4.605 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(C)o1 1300852674 BUFDXBASPVIPIG-INIZCTEOSA-N 448.390 4.785 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCS[C@@H](CC)C1 1300934826 DMXDTCIPTIFUHX-HNNXBMFYSA-N 437.407 4.624 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCC(C)CC1 1300974215 GHPHFTNEWZGPLU-UHFFFAOYSA-N 436.398 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1301080851 WHSDBMDYNQESPP-XMMPIXPASA-N 430.600 4.888 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)[C@@H](CC)C1 1301142158 WYYMZOKMBCSIMS-IBGZPJMESA-N 446.039 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1301143791 RWKQOGKISVQISU-UHFFFAOYSA-N 435.572 4.541 30 10 IJEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1301217811 FIJPUNYHBZMNGQ-IBGZPJMESA-N 447.370 4.530 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@H]1CC 1301240893 HGPHCFJZCIAKGE-OAQYLSRUSA-N 433.581 4.985 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1c(F)cccc1F 1301410652 JGYDYDQFUIVZSJ-SFHVURJKSA-N 442.510 4.521 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1303063196 CSLWAADZZKGEDY-ZEQKJWHPSA-N 446.599 4.788 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 1309143969 CLYGUARLFGFCKS-UHFFFAOYSA-N 446.937 4.995 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1310000962 LJFLWPKCWROTSG-SHUHUVMISA-N 433.618 4.656 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12 1310574317 WUGWPIHJOBVUNW-UHFFFAOYSA-N 432.430 4.613 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(F)cc1 1311438683 RGLPAIMPBXCCKW-DQEYMECFSA-N 432.495 4.800 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(F)F)ncn1)c1ccc2c(c1)OCO2 1347908622 DFQMNSZNPIXDFU-UHFFFAOYSA-N 439.418 4.555 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cc(C#N)c(SC)nc2O)sc(C)c1C[C@@H](C)CC 1347970389 ACLXXLYQXQPQEJ-NSHDSACASA-N 447.582 4.768 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccccc1OC)c1ccc2c(c1)OCCO2 1351530815 FAKVBLMTPNSEME-UHFFFAOYSA-N 431.488 4.878 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)ccc3-n3cncn3)c2)c1 1355135417 HXYSSINITQNOHU-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(SCCC(=O)OC)c2)CCCN1C(=O)OC(C)(C)C 1358001934 ZYNMDIRDWALNJN-QHCPKHFHSA-N 448.585 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H](c1ccsc1)N(CC)CC 1358882601 DDXSCBQUDCHQPI-NQIIRXRSSA-N 437.613 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](CC)C1 1359092745 FSNJYATWKSZLCK-POAQFYNOSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C)[C@H]1CC 1359094766 FSUWLRVLBZOQQG-LANGDILFSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC[C@H]1C 1359094999 IWJFFXFNZOGIMG-QINHECLXSA-N 449.020 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1359109977 VYMRLDDBOZAPKZ-UHFFFAOYSA-N 426.446 4.681 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(Br)c1 1359131984 KJMABGMGMRGQPT-IBGZPJMESA-N 449.393 4.511 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCc1ccc(Cl)cc1 1359201995 GKYZRPOAHDQIOQ-UHFFFAOYSA-N 441.963 4.694 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1359214907 OXQYLGYCEJNFAD-UHFFFAOYSA-N 435.616 4.743 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCSC(F)(F)F 1359278769 GHEVPWFSPLRAOE-UHFFFAOYSA-N 426.464 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cscc2C)C1 1359313555 NWSGDHQBMDVJIE-PKOBYXMFSA-N 442.560 4.757 30 10 IJEE C=CCOc1ccc(CC(=O)Oc2c(Br)cccc2Br)cc1 1434904644 KHFRQZACPCUMMO-UHFFFAOYSA-N 426.104 4.925 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1436067923 KLOOUFKMYITZKU-NTCAYCPXSA-N 449.860 4.862 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 1464383677 UUPKSXOUUDNDPX-SFHVURJKSA-N 439.331 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1464541898 HUXNZVPEDHBIAZ-DEOSSOPVSA-N 436.512 4.721 30 10 IJEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCCc2ccccc21 1465257996 PHDSFZAIILGPAM-AXHZCLLHSA-N 435.543 4.984 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC)c2cccc3ccccc23)cc1 1465259538 XGEYZRIUHSOKHJ-QHCPKHFHSA-N 437.565 4.919 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)c1ccc(F)cc1 1466436847 YQAZYLKFPSHKHJ-ZDUSSCGKSA-N 431.290 4.603 30 10 IJEE C[C@@H](CCO)n1c(C(F)(F)F)nc2cc(NC(=O)CSc3ccc(C#N)cc3)ccc21 1468198589 FAECBAAYJROUGU-ZDUSSCGKSA-N 448.470 4.601 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1470309479 GIQUXQAFTLYXID-JTHBVZDNSA-N 439.600 4.615 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1 1474262614 YGHSDTAEKUAGJP-UHFFFAOYSA-N 440.540 4.823 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1476149671 DFLIWAPLDUXXLD-CRAIPNDOSA-N 432.590 4.990 30 10 IJEE C#CC[C@@H](NC(=O)Nc1cc(Br)ccc1OCCOCC)c1ccccc1 1476327084 IVIADTPHYHHSHF-GOSISDBHSA-N 431.330 4.751 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 1477807292 HNTVZXVCPQIOHW-UHFFFAOYSA-N 426.004 4.992 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1505227889 DVMSDANWQBAKLW-AABGKKOBSA-N 440.661 4.515 30 10 IJEE 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437.337 4.773 30 10 IJEE C#CC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)C1 1675097304 PWJFQPHGUZLLBU-UGKGYDQZSA-N 445.563 4.762 30 10 IJEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)[C@H]1CCCc2ccccc21 1676684678 RQRFTORHAUHJDA-QFIPXVFZSA-N 439.600 4.936 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 1681943051 YGMBAKZMLSUHEH-FPOVZHCZSA-N 442.401 4.762 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1682356642 KQWJFFFGSCDKOI-FDFHNCONSA-N 425.573 4.572 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 1686762526 UXLBGYQEQVBMKJ-RTBURBONSA-N 429.362 4.663 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ncc(CC)s1 1690032451 BPJLUPRGWUDJPW-HXUWFJFHSA-N 447.608 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccccc1)N(CC)CC 1690198333 KSBUIYWHTIHWFA-ATIYNZHBSA-N 431.584 4.922 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC(C)C)C1CCCC1 1690223036 CDAUXICYXLSONU-UHFFFAOYSA-N 447.377 4.987 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690456102 VVFYKZKCUDCHQX-UFRUDQCGSA-N 445.405 4.661 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(CSC)c1 1690517678 KMHNCWJCVJWLBS-UHFFFAOYSA-N 432.391 4.569 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1690567602 IQIHFSODYBDCGK-IBGZPJMESA-N 443.567 4.565 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccc(C)cc1C 1690578471 YQXQRHHGUZJOJH-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690586922 WIFDTADQENQEDT-PZJWPPBQSA-N 439.560 4.873 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(OC)CCCCC1 1705588293 BJTWGOAHRGAVSY-QHCPKHFHSA-N 448.611 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSCC1 1705695560 CDSLZSJDPFLUPE-ONTIZHBOSA-N 442.629 4.569 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(C)cs1 1705696556 ORDFZTRVPICYTO-FXAWDEMLSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H](C)Oc1cccc(Cl)c1 1705708229 ZSRHLEQGAOCGML-GUXCAODWSA-N 442.951 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CCc1cn2ccccc2n1 1705719638 GCLZAYVILDGOOJ-UHFFFAOYSA-N 444.583 4.767 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](OCC2CC2)C1 1705723095 ZDQHVIJVOZLEPW-QGZVFWFLSA-N 449.368 4.818 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1705745760 HCXPFUJDJBQYPF-LJQANCHMSA-N 444.988 4.953 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1705817505 LYXMGXVBNHSJMZ-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1705836660 AWYFRHRYKSIGTP-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1705848931 XGSCEYNKDZOOMW-LJQANCHMSA-N 432.012 4.501 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1coc(-c2cccs2)n1 1705870042 ASCZMBAJXISDOI-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1705948597 YQQLMSNCIFOLJP-UHFFFAOYSA-N 426.630 4.810 30 10 IJEE CO[C@@](C)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N)C1CC1 1711492022 AWNWYTLBWPTYET-HJPURHCSSA-N 427.618 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCOC1CCCCC1 1722276641 JGCQEWWBFQXEER-RBUKOAKNSA-N 428.552 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(Cc1cccs1)C(C)C 1722510724 WYCOQFAIRWPSCH-JBACZVJFSA-N 430.618 4.977 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1Cc1cn2ccc(C)cc2n1 1722517812 ZMFXWDPSJFFBGQ-UHFFFAOYSA-N 444.583 4.826 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1CC 1722530264 CKQGOQLVZKBYAI-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCCN2CC)CC1 1722569652 ISXVKVDQJZYLJL-NRFANRHFSA-N 425.646 4.910 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(C)(C)C)C1)c1ccccc1 1722593838 BMMPUZTZLBZXFA-FGZHOGPDSA-N 435.616 4.746 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1722622380 MHAKXHZRSGMEQS-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)SC)C1CC1 1722649219 MPISICLFPYCVOV-UHFFFAOYSA-N 449.665 4.689 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1740666093 CCCPTBIIODUPOP-SZPZYZBQSA-N 444.627 4.711 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC1CCCC1 1740747361 GOPSKVOLXDLEFN-UHFFFAOYSA-N 428.378 4.816 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1740779686 VJEZJTNTZGLUBA-HSZRJFAPSA-N 439.648 4.756 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1740839768 NRRGVUNLRZUSTQ-SFHVURJKSA-N 437.975 4.787 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC1(CN2CCOCC2)CCCCC1 1740929540 YDKIDSHSTIPHPL-UHFFFAOYSA-N 449.643 4.715 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC[C@H](C)C2)C1 1740977060 CGGYBGPBVFMCAF-JTHBVZDNSA-N 437.632 4.547 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(OC)C1 1740996850 JSHWDCYLPDJGDQ-XMMPIXPASA-N 437.613 4.726 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1741002535 NOFVRQXESZSIHX-SESVDKBCSA-N 426.630 4.812 30 10 IJEE CC(C)CCN1CCC(Cn2c(CC3CCCC3)nnc2N2CCC(C#N)CC2)CC1 1741525245 HICYVZMBOZHAEW-UHFFFAOYSA-N 426.653 4.509 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCCC2)c1 1748584597 IAYBYXCLIOSTDH-AWEZNQCLSA-N 432.366 4.502 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CC[C@H](C)C1 1748867250 DLGHSAYNYHJGEP-FDFHNCONSA-N 434.584 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1cccnc1OCC 1749080298 KVOAYQDUPNYCNM-RUZDIDTESA-N 447.608 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1C 1749124497 OCALYRNARLMLPP-GJYPPUQNSA-N 431.378 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCc1ccccc1 1749170750 INUZZQDSQWXKOW-FGZHOGPDSA-N 426.605 4.816 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN(C)C(C)C)CC1 1749348060 KLYKQLDHSHPGGR-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(CCC)C1)C1CC1 1749508239 LQXFJVCBEFONTM-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C)CCOCC2)C1 1749699553 BGALJAYYUPKIAX-QFIPXVFZSA-N 438.616 4.841 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)CC#N)n1 1751739819 DZOJYMOUFVPZOE-MJGOQNOKSA-N 438.601 4.781 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](c1ccccc1)N(C)C 1760104061 RFBFCTYHMOHPHO-IPJJNNNSSA-N 447.652 4.892 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1760135463 WUBSWAMQBSEPNO-WOJBJXKFSA-N 446.599 4.522 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1760146826 XXUVFJNPGIJKFO-FQEVSTJZSA-N 443.389 4.516 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760272813 WKLKZJIEKDELMS-DYESRHJHSA-N 439.629 4.529 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@@H]1CC 1760278520 XKZAJOBQDPCOEQ-CVEARBPZSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC=C(C)C1 1760316092 MGLVYZSHBLNHPD-IPJJNNNSSA-N 426.536 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1Cc1cccc(Br)n1 1760338565 MOJLPMOYPXMNBV-UHFFFAOYSA-N 440.389 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1CCc1sc(C)nc1C 1760340863 QMYOHNXCVFKBOW-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760442308 MHHATHNXLYLYFL-OAQYLSRUSA-N 434.569 4.801 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@]1(C)CCCS1 1760479375 MUCSFVCTJUJWQL-XMMPIXPASA-N 430.581 4.690 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CC1CCC(F)(F)CC1 1760499348 VQVXCTKLZLQYHA-UHFFFAOYSA-N 438.526 4.796 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC[C@H]1C)OC 1764045848 GXGKXXRFVFSWKV-UTKZUKDTSA-N 427.618 4.600 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2F)cc1 1859402185 NXWIKOPULTWYJG-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 1862535532 FBWNPPYFWPVWFU-DYESRHJHSA-N 425.912 4.660 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862539449 RXAMJMLPNZDVER-HXUWFJFHSA-N 447.362 4.696 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862561708 XAEZRNLJSVZFAP-NRFANRHFSA-N 429.501 4.590 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(C)c2)cc1 1862589848 VHTXLLFQGPBAHF-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862693890 VVFHJRDAEVHUGZ-CWTRNNRKSA-N 444.871 4.634 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc4cccnc34)C2=O)cc1 1862916173 VJHAXAQKNIIEHV-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCN(CC)CC)C1=O 1863508560 BLYMEFDYDUMRQT-UHFFFAOYSA-N 431.596 4.588 30 10 IJEE CCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O 1868184330 GUOSGLFIBCNMID-UHFFFAOYSA-N 438.524 4.595 30 10 IJEE CC(C)(C)CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n2)CC1 1868376222 IQRLKOYHUIHUQA-UHFFFAOYSA-N 426.568 4.927 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)[C@H](c1ccc(Br)cc1)C(C)C 1868855704 YFPAOJVVCXKKEM-UXHICEINSA-N 435.406 4.674 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccccc2Cl)c(C)c1 1870140714 FXYVBCGUUDTLPD-JLHYYAGUSA-N 434.931 4.599 30 10 IJEE Cc1cccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)c1 1870152509 WKDSOCSYQWVPKR-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE CC(C)c1ccccc1OCCCC(=O)Nc1c(C#N)nnn1-c1ccc2cc[nH]c2c1 1870161686 DOJLOZRTZSWGNF-UHFFFAOYSA-N 428.496 4.541 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCOCC1 1870341772 FEISCDMQRRMICF-UHFFFAOYSA-N 430.564 4.759 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN(CC)CCO 1870614286 FMSCMNZATPISEI-UHFFFAOYSA-N 432.580 4.741 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871382183 NFWQAXBSLKEWOX-DWVIGKKNSA-N 430.412 4.610 30 10 IJEE CCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1Br)C2=O 1871418990 YHLTVZAMHDNXPY-WQRHYEAKSA-N 431.282 4.706 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N(CC)CCO)n1 1871553436 MEQYWNCZARTVDJ-UHFFFAOYSA-N 442.652 4.926 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871859277 YFWJNZIUJNBOHI-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(OCC)cc1 1872070404 UPKQGIYHBXBQGQ-JOCHJYFZSA-N 448.560 4.517 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872761297 KHVPNAJLDBZOOO-IBGZPJMESA-N 448.460 4.995 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1 1872764537 PKCHCAIWWRTDGM-KBMDHIKASA-N 448.500 4.642 30 10 IJEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872768568 WTVFIFSCWZOCHZ-FOTOIKQHSA-N 432.501 4.870 30 10 IJEE COc1ccc(Cc2nnc(SC)n2/N=C/c2c(Cl)cccc2Cl)cc1OC 1874238567 LJQWKEOKPPVIDH-SSDVNMTOSA-N 437.352 4.797 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874264775 OURAOLMOAOTLQH-WSDLNYQXSA-N 430.917 4.593 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)O)cc1 1874270022 ALOYYQFZGZGTSG-PCLIKHOPSA-N 428.517 4.881 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 1874445954 OYQLLGYJXDWPRS-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1cc(OC)ccc1OC 1874476306 LAPYAOQZLFZXRN-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc(OC)c1O 1874481472 XPAXNKMMYDOADB-ZMOGYAJESA-N 440.569 4.781 30 10 IJEE CC(C)(C)c1nnc(SCCO)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874486784 KMHMCNYZHCRZQU-ZVHZXABRSA-N 444.988 4.775 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C(C)C)c1 1874510284 KVXHUMWZQJTBLA-ZMOGYAJESA-N 441.532 4.552 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CC2)cc1 1874519249 IZUCIVCRPHHBAF-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874530705 WSKAWFXOTFXQQJ-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)c(C)c1 1874588580 UFTGXXCLYJQFOV-VQHVLOKHSA-N 430.342 4.867 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)OCC(C)C 1874608833 JPHBHSGBZLDIRK-MDZDMXLPSA-N 432.900 4.831 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OC 1874692899 CKSAOCNFMCFVTD-BQYQJAHWSA-N 434.242 4.577 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 1875126918 ZQUMFKJIBOTGEU-CEQQRPIWSA-N 445.855 4.627 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC(=O)Nc1ccc(Br)c(C#N)c1)C1CCC1 1964909047 FENQESSZPMIENU-HNNXBMFYSA-N 436.350 4.590 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1965442872 MFRAGMJYHWVGIN-CUVVAGTFSA-N 444.575 4.858 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2012280579 WTLUSSAJSPDCJX-UJWQOHNOSA-N 434.541 4.654 30 10 IJEE CCCC#CC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024383709 FYWJCWKTBQOTTP-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@@H](C)N1C(=O)OCc1ccccc1 2054429185 TYSXRDIXZAKRPS-HUUCEWRRSA-N 446.320 4.696 30 10 IJEE Cc1cc(C)c([C@@H](C)n2nc(C3(C)CC3)c(C=NO)c2I)c(C)c1 2080047888 KNTFDZZJFKADCM-CQSZACIVSA-N 437.325 4.882 30 10 IJEE C[C@H](c1cscc1Br)N(C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2130027177 QCULULQSIXZKRP-DOMZBBRYSA-N 444.395 4.617 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)CC1 2181108763 WQWNYXVTQACGOW-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1cc(Br)ccc1C#N 2181145851 CFVAHQSIJDAGBC-MRXNPFEDSA-N 438.366 4.835 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)C1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 2250204845 XEYAPVSWQYYLJP-FPRZSRDOSA-N 426.601 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@H](N)C#CC2CCCCC2)C1 2251402163 TUQBXOJPEFRLNA-ZEQKJWHPSA-N 426.601 4.741 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3cccc(OCc4ccccc4)c3)s2)OC1(C)C 2255705608 XQPXBKFORKQIFD-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCCN(C(=O)OC(C)(C)C)C[C@@H]1C 2262207838 VEFZCTQCMHYFSK-DFBJGRDBSA-N 447.572 4.657 30 10 IJEE C=CCCC1([C@@H](N)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2263749745 IDAQRNSXHUXKHO-AWEZNQCLSA-N 431.396 4.722 30 10 IJEE C=CCCC1(C(=O)N(C)Cc2csc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266280355 BZJHJENFIQSKKX-UHFFFAOYSA-N 443.407 4.672 30 10 IJEE CC1(C)OB(c2cc(F)ccc2C(=O)N(Cc2ccccc2)c2ccccc2)OC1(C)C 2267415053 WSRBHQYPWAWTJX-UHFFFAOYSA-N 431.316 4.972 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(Br)cc2C#N)[C@@H](C(F)(F)F)C1 2281177520 FSGQJOIJZYCBLP-DZGCQCFKSA-N 448.283 4.745 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(N)C#Cc2ccc(Br)cc2)C1 2296227274 NILTULXJBYYSIT-FGZHOGPDSA-N 433.390 4.699 30 10 IJEE CCC1([C@H](C#Cc2ccc(Br)cc2)NC)CCN(C(=O)OC(C)(C)C)CC1 2296288862 LIUXVLJEAYPWKS-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCCCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(C)cc2)cc1C 2297747358 SQAGYTUMVQYGMZ-HSZRJFAPSA-N 437.536 4.550 30 10 IJEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccco2)C4=O)cc1OC 2321943079 UWXVNTPPPMXQMJ-UHFFFAOYSA-N 447.487 4.616 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2Cc2ccccc2)c1OCc1ccc(F)cc1 2321955313 KKGDIPMJRCKWFD-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3ccccn3)C4=O)oc12 2322860266 UDZGQMMJSOBFKA-UHFFFAOYSA-N 427.412 4.980 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OCC(=O)N(CC)CC 2323702478 JMDUHLVVXPIJBF-UHFFFAOYSA-N 445.943 4.891 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCC[C@H](CO)C1 2324208741 DQHHGEMHVBYXES-ZDUSSCGKSA-N 434.319 4.520 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCCOc4ccccc4F)cc(C)c3C2=O)cc1 2324857870 QXIJLLOCRVYSLB-UHFFFAOYSA-N 448.446 4.995 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(OC)c(OC)c(OC)c1 2325592801 MFXGCVJTXNVQQI-UHFFFAOYSA-N 440.569 4.658 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1OC 2325702792 UHEQVVHIYCODIE-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE C=C(CC(=O)C=Cc1ccccc1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 2328089860 WKUOMDFCTLFMEG-UHFFFAOYSA-N 431.580 4.659 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1ccc(F)cc1)NC1CCCCC1 2330587641 QNRCNCQRXOOZNB-UHFFFAOYSA-N 443.573 4.569 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)OCC(C)C 2330872511 XUANGUGTMWJUKN-UHFFFAOYSA-N 444.601 4.605 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCC2)cc1 2331543361 FGGALDDYIUVNEX-SFHVURJKSA-N 447.608 4.960 30 10 IJEE COCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2331741594 JAALCQZGEYYKRF-UHFFFAOYSA-N 448.899 4.512 30 10 IJEE C[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339539319 GARBXPNWCCWEKF-SFHVURJKSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339584503 BNSWEKXLCPXEBU-XXFRDUSWSA-N 444.381 4.798 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588619 LJSCHWHSJHYGRU-ASLVEYIASA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@H](N)C#Cc3ccc(Br)cc3)C[C@@H]21 2360197650 RHEFSWSDKQCVMN-CUDHKJQZSA-N 433.390 4.554 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681429 ZULVMTXXGIEDME-ZCLKUGBOSA-N 447.428 4.768 30 10 IJEE C=C(C)CN1C(=O)[C@H](C)Oc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 12228773 VCWSCYZMIKSTRY-ZDUSSCGKSA-N 435.307 4.701 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)cc2C1=O 14505937 ZTAPMOSOJHCTIZ-UHFFFAOYSA-N 445.456 4.697 30 10 IJEE N#Cc1ccc(NC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)cc1 33292890 OZIVZGFTCFUNHZ-UHFFFAOYSA-N 443.576 4.538 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C/c2cc(OC)ccc2OC)C1=O 36258251 RLWYLCBUCCNKKG-CPNJWEJPSA-N 425.506 4.556 30 10 IJEE C=CCOc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(C(C)C)cc3)S2)cc1OC 39888480 DLEGZUKCVSBTNQ-IBUSPFOHSA-N 437.565 4.548 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102712907 NPMJJBZMVNTQDO-RKKARLDVSA-N 432.476 4.741 30 10 IJEE CN1/C(=C\C(=O)COC(=O)/C=C\c2cccc(Br)c2)C(C)(C)c2ccccc21 104595295 MKNUCCJUHVOHCI-CQZHGDOHSA-N 440.337 4.886 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)cc2)c1 169961976 QIASEZSOHHYXBM-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2cccnc2)cc1 170006657 LOTYVKGKUVXZHZ-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OC(C)C)c1 170153664 YGCDBEFCYVBNEY-QMHKHESXSA-N 435.520 4.786 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)cc1 170175555 JUOHWRQGCCMCOA-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)c1 170187559 PGJGENNJNYQZGZ-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccnc2)c1 170189530 SJWFUNTYJQSIQD-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)cc1C 170198379 FLKKCFJYLBMYLU-NRFANRHFSA-N 434.517 4.547 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC)cc1 170215053 HNGKEQAAEOBMLI-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)c1 170221536 UPCJHQZIMNWKRU-XMMPIXPASA-N 441.483 4.803 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170240699 GNJJMMBVGLQXKZ-CVDCTZTESA-N 431.463 4.736 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1c[nH]c2ccccc12 170255451 PUHGLEWJMNWMEL-CMJOXMDJSA-N 430.504 4.870 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccco1 170280816 BBRBUUFZTFIGEF-IBGZPJMESA-N 429.856 4.683 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)cc1 170290502 TUOSSLIGLYSTKM-HXUWFJFHSA-N 425.387 4.739 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)cc1Cl 170296067 TXAKUNYUIXLWHX-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1 170335745 WNKKBPRGWFYYHU-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccc(OC)c(OC)c3)cc1)C2=O 210089384 QMEYXJONCZZXOR-FSJBWODESA-N 432.428 4.548 30 10 IJEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 425940687 AJILKXYLQKLSBC-UHFFFAOYSA-N 439.393 4.624 30 10 IJEE N#CC1CCC(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)CC1 440985543 MJHWOCXPIDIARK-UHFFFAOYSA-N 449.530 4.867 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 443823048 FFBAVUSKPBGJEN-UHFFFAOYSA-N 438.487 4.819 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC=C(c2ccc(O)cc2)CC1 460956093 GVINVPZIPQTHFO-UHFFFAOYSA-N 432.524 4.538 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2cccc(Cl)c2Cl)o1 526829867 DNPHVNXEWMNQQT-NKVSQWTQSA-N 439.324 4.838 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Br)cc2cccnc12 535339810 KOLHQBXNTXFRMK-UHFFFAOYSA-N 426.270 4.734 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2ccccc2F)CC1 549645004 INRLXOLTJIEBSD-URXFXBBRSA-N 447.558 4.565 30 10 IJEE C=CCN(C(=O)c1cc(-n2cccc2)ccn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 564044382 ZMUVIFROCCBTCO-UHFFFAOYSA-N 431.477 4.737 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)Cc3ccc(Cl)cc3Cl)c2C#N)C1 586346986 JMQOFIWSTMTALK-LUGWNYHVSA-N 441.405 4.939 30 10 IJEE N#Cc1cc(Nc2ccc([N+](=O)[O-])c(I)c2)ccc1Br 690220641 MMSOIACPIXIGQV-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CCc1noc(COc2ccc(OC(=O)c3ccccc3-c3ccccc3C#N)cc2)n1 741628096 MVUIUPSAASMADW-UHFFFAOYSA-N 425.444 4.969 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(OCC)c1 743739636 XAZIOAVJFMODJT-QFIPXVFZSA-N 449.576 4.686 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](c2ccc(C)cc2C)C1 800783061 LUVCNRVNAMBIKN-JOCHJYFZSA-N 445.567 4.501 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc(F)cc1 812750964 GPJULKJLFHHMSC-QGZVFWFLSA-N 441.256 4.538 30 10 IJEE CCOc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)cc1 1084212127 GDOXWFOTFVLMSO-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(-n2ccnn2)ccc1F 1128122211 BJSKDTXHJFGZJI-INIZCTEOSA-N 446.326 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(C#N)c2)[C@@H](c2cccc(Cl)c2)C1 1128417313 GSVCAVBRYGEPDK-HXUWFJFHSA-N 443.906 4.785 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 1134915889 PKAJVUMTGHAEPA-IBGZPJMESA-N 428.326 4.665 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 1141527833 DBVXVDCZZBKOFN-UHFFFAOYSA-N 431.536 4.605 30 10 IJEE COc1cccc([S@@](=O)CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 1141625044 BRQLUSOPNUYDSF-JRPXNJEYSA-N 438.936 4.750 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc3scnc3c2s1 1158101466 FHNMLGCCNBIEFN-NSHDSACASA-N 438.962 4.880 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C)c1ccc(Br)cc1 1159634627 OTSFLJBTHSEGDY-IBGZPJMESA-N 428.717 4.701 30 10 IJEE COC(=O)c1ccsc1N1CC[C@H](N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1=O 1193293284 HKHFTZNQUBMREL-ZHRRBRCNSA-N 445.544 4.529 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](CO)c2cc(F)ccc2F)cc1OCC 1204048233 OUQCIKXTBSCSKL-GOSISDBHSA-N 442.300 4.514 30 10 IJEE C#CCN(C(=O)NCCc1ccc(OC)c(OC(F)F)c1)[C@H]1CCCc2ccccc21 1221651738 QBQOCHKLDPEHBZ-FQEVSTJZSA-N 428.479 4.562 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1229653953 VPKZPTZHOPAPAU-WMZHIEFXSA-N 427.951 4.755 30 10 IJEE C=CCC(F)(F)C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 1264169991 DQKTWBOIMZTSCE-UHFFFAOYSA-N 431.460 4.782 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCc2sccc21)[C@H]1CCOc2ccc(Br)cc21 1265209760 IJHVJLNBYFSGJV-AEFFLSMTSA-N 430.367 4.916 30 10 IJEE C=CCC[C@H](NC(=O)Cn1cnc2sc(C)c(C)c2c1=O)c1ccc(C(F)(F)F)cc1 1266463547 VVJAPBIGBLZHJG-KRWDZBQOSA-N 449.498 4.917 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCSC2)C1 1286342107 MGVGLEVTYRGZLM-VGOFRKELSA-N 431.005 4.818 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)Cc1cnn(C)c1 1286603165 NQPIQYRBQSLHRP-UHFFFAOYSA-N 449.386 4.605 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1286619714 VGDBXDJDBGMNKY-CALCHBBNSA-N 425.627 4.677 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286621282 BBICNSIUPCOMQB-OALUTQOASA-N 444.004 4.915 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1286682556 AOKPMWTWMIBSHV-ZCNNSNEGSA-N 428.552 4.776 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1286685769 YJYYZGJWQUIMMV-SFHVURJKSA-N 439.633 4.999 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286688923 GTOOJTASJNZXKB-DVECYGJZSA-N 445.007 4.653 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286695639 YWTVGWYXCJFGCC-JOCHJYFZSA-N 430.600 4.810 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1c(CC)nn(C)c1CC 1286718673 RVKHCZNLUILTMI-MRXNPFEDSA-N 438.645 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1286746405 XCYYZVWLLYWTKW-UKILVPOCSA-N 431.584 4.518 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1)C(C)C 1286751847 UGYPSYISKOKTRX-MOPGFXCFSA-N 427.559 4.879 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1Cc1cc(Br)cs1 1286765933 LLDUYCKNLQFBSE-UHFFFAOYSA-N 447.402 4.931 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1293754583 AQTMSYFMBGWLLK-GOSISDBHSA-N 445.972 4.939 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](CC)Oc1ccccc1Cl 1294394716 LOXOACIWPMENKH-GOSISDBHSA-N 425.916 4.678 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O 1299171077 UUKILJNZPNWJHV-UHFFFAOYSA-N 427.638 4.533 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC3(CCc4ccccc4C3)CC2)CCCN1C(=O)OC(C)(C)C 1300264434 IEASPUPRSSHEGH-MHZLTWQESA-N 436.596 4.577 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H]1CCO[C@H](C)C1 1300321476 NFKKDFHVIADQGW-BDTNDASRSA-N 438.616 4.952 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1300429697 AGTRQDDDJZUTEI-IRFCIJBXSA-N 442.991 4.739 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCC1CC(OC(C)(C)C)C1 1300665770 QHFJJCSGKGVZID-UHFFFAOYSA-N 445.007 4.668 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(CC)CCc1cccs1 1300755110 LOTDJDJTSCPRAP-UHFFFAOYSA-N 435.622 4.923 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2nccs2)CC1 1301096069 VMWRIPFESXJWSL-UHFFFAOYSA-N 436.368 4.825 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301149070 WBEPAGNPVZMWIW-SFTDATJTSA-N 428.552 4.839 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N[C@@H](C)c1ccccc1 1301309557 FHMGJZFMSHSHKQ-KSEOMHKRSA-N 439.648 4.948 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H](C)CN1CCCC1 1301339221 JRKVQEKCRCOLAB-NRFANRHFSA-N 434.632 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1cc(F)cc(OC)c1 1301365143 IDRGNJXXTZKXTN-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1301434439 RIEXOBSZTOINHA-AUUYWEPGSA-N 442.361 4.818 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2cccc(F)c2)CC1 1303642248 HZEQTGPAZUZHCS-DUXKGJEZSA-N 439.579 4.806 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 1309381946 CFXBSUUJBJIOPC-INIZCTEOSA-N 447.944 4.830 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 1312744852 FLAUXKRDKOGCNX-KXBFYZLASA-N 449.979 4.990 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1)c1ccc(Br)cc1 1312937806 SZDXPMKDJPEECF-MOPGFXCFSA-N 431.305 4.818 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)C#N 1313516447 BECKAZCSOJHHPR-QGZVFWFLSA-N 430.512 4.519 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1 1322463155 DVFMDJPOFAGKBR-OAQYLSRUSA-N 433.533 4.829 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 1357175048 GGXAROGKEBTUAF-HXUWFJFHSA-N 435.326 4.952 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)c1 1358007811 YQXBLAYJKHETPW-QFIPXVFZSA-N 426.516 4.772 30 10 IJEE CCn1c(NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)nc2cc(C#N)ccc21 1358188880 DVNZVVAEHZDZBT-UHFFFAOYSA-N 439.306 4.981 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2Cc2ccc(CC)s2)c1 1358901251 FBAGFZZJACAGIA-QGZVFWFLSA-N 435.597 4.520 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1CC(F)C1 1359080358 OWCOXBOKQUPAQX-UHFFFAOYSA-N 430.325 4.586 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(C)o1 1359081931 SFWGQPQCTKIBLZ-KRWDZBQOSA-N 428.334 4.800 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCOC)CC1CC1 1359094436 AZMOMVFHIGOWSJ-UWJYYQICSA-N 448.970 4.582 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnc(C)s1)c1ccccc1 1359140163 QOKGZFCIJUUFEJ-UHFFFAOYSA-N 436.610 4.749 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[C@@H](F)C2)CC1 1359181958 NINMWMXGSZCTOO-ZCNNSNEGSA-N 447.599 4.891 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1359203004 GPEHYCAIXOHOPR-DVECYGJZSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1359233587 KPZWCXFQFNMFBD-INIZCTEOSA-N 433.984 4.724 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1Cc1nccs1 1359264641 KYQAQMIRACHHQM-UHFFFAOYSA-N 437.594 4.924 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC1CCCCC1 1359294938 JXDIRRBGOJRWIL-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)Oc1ccc(Cl)cc1 1360548890 HTTSMIIIPFMOBQ-SBUREZEXSA-N 436.947 4.591 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@H]32)cc1 1435978370 ZWOPJESHCIRZSU-STZQEDGTSA-N 440.337 4.983 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1 1436656918 LDSBKLSPYRPKAU-XGRCMKMKSA-N 444.984 4.640 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1437616278 CFAPPGRKWUOIAO-CVDCTZTESA-N 438.593 4.693 30 10 IJEE C=CCOc1ccc(OC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1456886147 VUWJOBOXJIIQHN-AVRDEDQJSA-N 431.891 4.948 30 10 IJEE C=CCCC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCC3 1458834655 JUUXTQKOGYRSQI-UHFFFAOYSA-N 440.590 4.962 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)OC 1466952984 CSNPTVKWQGYRTH-UHFFFAOYSA-N 428.488 4.720 30 10 IJEE C=CCC[C@H](C(=O)N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1)c1ccccc1 1468207816 MUZVQJUNVGFGIV-QHCPKHFHSA-N 433.548 4.791 30 10 IJEE C#CCONC(=O)/C(C)=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1470042504 OXLGHPAHKHZJDH-HEHNFIMWSA-N 427.500 4.929 30 10 IJEE C#CCN(C(=O)c1ccc(-c2ccccc2)nc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1471882866 VVALSGOZFQPFLR-UHFFFAOYSA-N 433.552 4.532 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1478258831 ZIZLHXZLTMXOCP-QFIPXVFZSA-N 443.588 4.504 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 1478806905 VTUUWJAYPGBZGS-XMMPIXPASA-N 435.568 4.522 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)C1 1505206374 FOPANRKUGLMINY-QFIPXVFZSA-N 439.629 4.745 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCC(F)(F)F 1507705286 AWJOHSUUIHZTPP-HNNXBMFYSA-N 440.535 4.560 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2CCC[C@H]21 1507790381 HZOABZOASDMXKW-ZWKOTPCHSA-N 431.378 4.707 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1507832951 PWYZMCSQJLKVLT-QGZVFWFLSA-N 428.631 4.667 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1507880565 LLWFBBBNQQUMGU-LQWHRVPQSA-N 442.526 4.769 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1507919790 QKGOSMBRMWSVOF-FQEVSTJZSA-N 441.645 4.586 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H](c1ccccc1)N(C)C 1508007220 WCCIMRRHQYHPBQ-QHCPKHFHSA-N 446.624 4.841 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Br)c(C)c2F)CCCN1C(=O)OC(C)(C)C 1524795955 RMMQOWOPXWEFPZ-FQEVSTJZSA-N 439.325 4.628 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 1525156790 CXKIEQGFOSBDBA-UHFFFAOYSA-N 446.326 4.793 30 10 IJEE Cc1nn(-c2cccc(F)c2)cc1C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1526463683 FXWWMJPKCPHQQY-IMRBUKKESA-N 437.359 4.959 30 10 IJEE Cn1cc(C#N)c(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)n1 1531730485 DQXDUFZAIUVPDM-UHFFFAOYSA-N 432.281 4.522 30 10 IJEE C=C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)c1ccccc1 1532387296 JXAMEWUIPHDRKW-JOCHJYFZSA-N 437.517 4.604 30 10 IJEE C=CCC1(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)CCCCC1 1532896638 GRCKZKVAVMPRHU-UHFFFAOYSA-N 426.542 4.667 30 10 IJEE CCN(C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)[C@H](C)C#N 1533905804 DZOHPUAPTAEPRJ-OAHLLOKOSA-N 437.927 4.603 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc21 1538658766 NVCJMQFBHLIYSI-MRXNPFEDSA-N 442.479 4.951 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cnc(C)s1 1538976110 ITHGONLBXBKNGY-INIZCTEOSA-N 430.581 4.624 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC1CCN(CCC(C)C)CC1 1539359788 RZFPADIXMRQNTL-UHFFFAOYSA-N 444.627 4.711 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC(C)C)C(C)C 1539573809 DMHPIKJDKVUFDD-UHFFFAOYSA-N 448.409 4.927 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 1539621673 SFDYBTZWRKJBTA-VQIMIIECSA-N 448.409 4.787 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2CCCC[C@@H]2C1 1539817081 IVDRDOVYYKIHRS-HXUWFJFHSA-N 444.023 4.716 30 10 IJEE C=C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@](C)(O)C(C)C)CC1 1539830989 BCTNUAKGCXQWFX-XMMPIXPASA-N 437.613 4.940 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1539875435 ROJDPAKXIXQYCZ-AVRWGWEMSA-N 434.588 4.535 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1539974833 WIGNIPHRDWYSSS-OAQYLSRUSA-N 426.492 4.523 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(F)(F)F)cc1 1540105893 AEDSAHRKTRVBBW-QGZVFWFLSA-N 425.384 4.767 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 1540119856 LKTDALKZWYZXGP-JTHBVZDNSA-N 442.600 4.587 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCC[C@H]1C 1540139675 DMQISCQHGBABOR-KOSHJBKYSA-N 433.581 4.622 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](OC)C1 1540910048 VZUFZDMGGSLKDV-PMACEKPBSA-N 430.618 4.569 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1540910588 LCDRATSJXRFOJZ-FQEVSTJZSA-N 433.021 4.913 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)N1CCCC1 1541303233 CPJPWBQWARBXAY-NZQKXSOJSA-N 434.632 4.810 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1543411404 CMMRLVZKCGKLHD-HXUWFJFHSA-N 444.881 4.768 30 10 IJEE Cc1ccccc1Nc1scnc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1545892906 FZWHSGHHKAAJAJ-UHFFFAOYSA-N 433.537 4.582 30 10 IJEE CCCN(CCC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1547140089 CYWMEPCHPITFHW-BGYRXZFFSA-N 440.661 4.659 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(F)cc1Br 1556475755 BLVUFQPKZKEYOK-QGZVFWFLSA-N 443.357 4.796 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 1559030509 VZOPBUSXIXPUEC-IBGZPJMESA-N 435.528 4.813 30 10 IJEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)cc1 1561262099 GVJQXIKRPAZKHU-UHFFFAOYSA-N 439.558 4.691 30 10 IJEE C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(F)c2ccccc12 1561618789 BMQOZZCZHQYCFA-GFCCVEGCSA-N 433.302 4.653 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccnc(Oc2ccccc2Br)c1 1562389636 HCRIBDOMBRCVDX-IFXJQAMLSA-N 432.318 4.739 30 10 IJEE COc1cc(NC(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)c(F)cc1C#N 1563099929 BJEAXARUAMRNPH-UHFFFAOYSA-N 426.835 4.868 30 10 IJEE C#Cc1ccc(NC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)c(Cl)c1 1563326903 RKTUXNDEICORRG-UHFFFAOYSA-N 425.960 4.514 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 1566438475 ACCAPVWGKOAPKI-RKVPGOIHSA-N 426.479 4.620 30 10 IJEE C[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1568071205 GSCVOURUTNYTIU-ZHRRBRCNSA-N 434.540 4.973 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccc(Cl)cc1F 1568897976 MIKXOOFACSJLOW-ROUUACIJSA-N 448.723 4.565 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 1584080552 DCCGCEDTYINOTQ-GOSISDBHSA-N 441.576 4.957 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 1584558001 AORGUFLAKJSIAL-KRWDZBQOSA-N 433.892 4.506 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)/C=C\c2cc3ccccc3nc2OCCC)cc1 1587965282 ZLKSLJWSTHJQKL-ZROIWOOFSA-N 430.508 4.983 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)CC1CCC1 1589514353 GFYBUOQIRDKHEW-AUSIDOKSSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(OC)c(C)c1 1589559322 QBLBSPGBBVUXHF-DHLKQENFSA-N 438.616 4.945 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC(F)(F)F 1589567839 GIQSFFDGVSSCEN-QFBILLFUSA-N 440.535 4.859 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1snnc1C 1589599843 NLKGJPFASNWXMS-UHFFFAOYSA-N 447.612 4.963 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1)c1ccccc1 1593788879 DVJKCEFYEICSNU-GOSISDBHSA-N 436.560 4.766 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCCSC)CC1 1594218773 SCAUBZXWKGMFAQ-UHFFFAOYSA-N 428.602 4.652 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1594492422 ZRBXEMALLMPPDK-QGZVFWFLSA-N 429.559 4.919 30 10 IJEE C=CCCCn1c(N2C[C@@H]3CCC[C@@]2(C)C3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594774190 ISNRSELEYPXRJJ-FVJVTNMWSA-N 429.609 4.784 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1595845274 QNZCFMLOHKTOGB-VSKRKVRLSA-N 426.630 4.887 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)Cc3cnccc3Cl)s2)c(C(F)(F)F)c1 1596598676 DWEYNOKQJZKRMR-UHFFFAOYSA-N 436.846 4.854 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)c1 1598216624 WBNCNRQFLLCDOD-AUSIDOKSSA-N 439.577 4.831 30 10 IJEE Cc1cc(Br)cc(NC(=O)c2cc(C#N)[nH]c2C)c1NC(=O)OC(C)(C)C 1611477367 CYDVXWZYCQGIGM-UHFFFAOYSA-N 433.306 4.865 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)s1 1612060259 DWOFNVKHEFNIJL-NRFANRHFSA-N 446.580 4.719 30 10 IJEE CCc1cnc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)s1 1613832637 CCHVYTPQROEQPD-CVEARBPZSA-N 442.564 4.557 30 10 IJEE CCc1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)Cc2cccs2)s1 1613846757 DISMSLWPZUFMJW-UHFFFAOYSA-N 434.594 4.972 30 10 IJEE Cn1c(=O)c2c3cc(-c4ccc(Cl)cc4)c(C#N)c(N)c3c(=O)oc2c2ccccc21 1616046144 BHMOLKXMCGKPOE-UHFFFAOYSA-N 427.847 4.572 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)Cc2nc3c(s2)CCCC3)s1 1621050153 FWBKKMCQFOYSKD-UHFFFAOYSA-N 428.048 4.833 30 10 IJEE CCN(CC)[C@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(C(F)(F)F)cc1 1625751983 GSFUMAQRRKGZLF-IFMALSPDSA-N 431.502 4.977 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2nc(O)n(C3CC3)c2c1 1626553877 JQIPQWNBWAHEOS-UHFFFAOYSA-N 444.304 4.807 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)c1 1626797184 GZJUIPXAGHXNLS-WIYYLYMNSA-N 429.969 4.593 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1627644005 OXXQFCNGWYDLRN-RUZDIDTESA-N 446.538 4.539 30 10 IJEE C=C[C@H](C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 1629746955 YJASEPBTYNBRJC-MHZLTWQESA-N 425.576 4.913 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3cc(F)ccc3F)C3CCCC3)n[nH]2)c1C 1630662191 QEQNZLIIDVURSR-UHFFFAOYSA-N 439.510 4.939 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC(C)(C)CCc4ccccc43)ccc2c1=O 1634855329 NBXJBNYNOTWTAK-NRFANRHFSA-N 433.577 4.705 30 10 IJEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C)C(C)C 1635499880 FRWIZGBTKBXHFQ-UHFFFAOYSA-N 426.582 4.622 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 1636740280 AMCTZYCZPPOTGQ-LJQANCHMSA-N 433.346 4.721 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)c1ccc(Cl)cc1 1637296788 LZDIMDSOMWSACR-GOSISDBHSA-N 443.931 4.547 30 10 IJEE C=C(C)[C@@H](NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O)c1ccc(F)c(F)c1 1638961415 CJNCHBJKKXISDE-HXUWFJFHSA-N 426.385 4.666 30 10 IJEE CC(C)(C)OC(=O)c1c[nH]nc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1640029287 BGFAYQHBNHPOAL-UHFFFAOYSA-N 438.871 4.935 30 10 IJEE N#Cc1ccc(Br)cc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 1641187205 GFHUDQOXZIJKIU-UHFFFAOYSA-N 445.700 4.929 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 1642539787 DMQJMCCMXRIJGQ-IERDGZPVSA-N 434.483 4.740 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@@H]1CCN(c2cccc(Br)c2)C1 1656934321 GGGVWHYAHIOWAG-INIZCTEOSA-N 433.777 4.731 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CC)Cc2ccccc2Br)cc1 1658515874 BHCHJXIRPXDDCB-KRWDZBQOSA-N 430.346 4.508 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)OC 1662573878 PDLPPBGWBNTFRM-LIRRHRJNSA-N 447.329 4.686 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc(OCC)c2ccccc12 1663877761 VYAASJAQNUNPEQ-UHFFFAOYSA-N 427.570 4.783 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 1664590473 GRNKKXVFXIDWPI-AWEZNQCLSA-N 438.471 4.522 30 10 IJEE C[C@@H](N1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1)C(F)(F)F 1671954711 FYWPVGAOEFRUAO-OAHLLOKOSA-N 434.487 4.810 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CCCC1(C)C 1672803905 IZEWIMROAZXZJK-XQBPLPMBSA-N 447.645 4.952 30 10 IJEE C=CCCCCCCCNC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1673406215 NQWYGGKGCUZXSG-IRXDYDNUSA-N 435.531 4.858 30 10 IJEE C#C[C@H](NC(=O)NC1(c2ccc(C)cc2Br)CCCCC1)C1CCOCC1 1674596232 BBHBJSJMFMKYMH-FQEVSTJZSA-N 433.390 4.645 30 10 IJEE C=C1CCC(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(OC)c2)CC1 1675872534 QTHUZPMWRGITCB-QFIPXVFZSA-N 443.588 4.745 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1677729961 ABRYWIKTSCFGPF-MDNUFGMLSA-N 439.600 4.792 30 10 IJEE CCOC(=O)N1CC[C@@H](NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1 1678483882 DDWQSORITILSAQ-QGZVFWFLSA-N 444.944 4.715 30 10 IJEE Cc1ccccc1[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCC[C@H](C)C1 1678610208 CPLZNBKDMWHLLL-KIVTUJJHSA-N 431.584 4.661 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1c(F)c(F)c(Br)c(F)c1F 1682192248 MCSCXVQFHNXYKA-UHFFFAOYSA-N 431.227 4.903 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](c1cccnc1)C(C)C 1689842238 WSTQSBLOETTYGY-KNQAVFIVSA-N 447.583 4.645 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1689920731 IMIVYWJXWXNZRL-HYBUGGRVSA-N 436.600 4.787 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@@H](C)C1 1690034808 RWVFUOHDHWZIFA-QZTJIDSGSA-N 425.374 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1Cl 1690251868 ZYKDSHNIBOMCHH-REWPJTCUSA-N 437.975 4.535 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1690317153 SXXIPBLYFQFHNH-JOCHJYFZSA-N 445.007 4.835 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H](C(F)F)C1 1690337568 RYRBCUSYYYPAEJ-MRXNPFEDSA-N 440.922 4.977 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690402728 NSQHHCNXBIKQCQ-LPHOPBHVSA-N 432.515 4.622 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)OC)CC1 1690404684 NLYFJEXDTZGYDN-UHFFFAOYSA-N 428.577 4.568 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1690442155 NRJQXVIZBZXSSS-JOCHJYFZSA-N 443.599 4.630 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC(C)(C)N1CCCCC1 1690602167 JPVMBZTUUFYIRC-UHFFFAOYSA-N 444.627 4.840 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690738112 GBXCRLGLHZNRJI-CZUORRHYSA-N 446.926 4.674 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C[C@@H]4CCOC4)C3)n2CCCC(F)(F)F)cc1 1698487194 CYNTZRQFAVLDRV-OALUTQOASA-N 447.505 4.802 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)C(F)(F)F 1705484598 RUXYFKPNFIQAPS-NSHDSACASA-N 447.274 4.893 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](c1cccnc1)C(C)C 1705611614 KLSWSULNYITIQD-JOCHJYFZSA-N 440.551 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2sccc2c1 1705711640 QMWGKNATHGJWAE-QHCPKHFHSA-N 426.586 4.596 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1705721373 XINDOWTXDXKQMJ-PZJWPPBQSA-N 440.588 4.646 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1C 1705739366 DNADYYRMNOSDDG-OAHLLOKOSA-N 425.360 4.745 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2[C@@H]2C[C@H]2CF)CC1 1705777806 OYZDAHTWRAFUES-DOTOQJQBSA-N 435.341 4.649 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 1705850552 YJTGWBOQOMPPIU-UHFFFAOYSA-N 428.920 4.720 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)CC1)C(C)C 1705867930 XZJNIMFDDMFIDW-XMMPIXPASA-N 432.616 4.752 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705886935 WMOMUTQAYYSERY-SFHVURJKSA-N 431.968 4.620 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705888846 YEOKHFYOVJHRNK-QILLFSRXSA-N 431.378 4.917 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccccc2Cl)C1 1705921768 YXBIHCNAMAPBAG-SFHVURJKSA-N 444.366 4.671 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705944395 FFVYPFAHGVGPTG-NHCUHLMSSA-N 437.613 4.520 30 10 IJEE CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1706354306 AEKUBKQUOZYTTI-FYYLOGMGSA-N 433.556 4.886 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1 1708044547 CZXNVLYGKKBGQI-GCJKJVERSA-N 425.552 4.810 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1722320465 ZFTXDLAWXOWJES-UHFFFAOYSA-N 436.991 4.591 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc2c(n1)CCCC2 1722391769 UMSSCHCWDQBIPP-RUZDIDTESA-N 437.591 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@H](OC)C(C)(C)C 1722475862 YBJMDFKXJJSQBE-GBXCKJPGSA-N 442.629 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCn1cc(Br)cn1 1722503468 UFRMICYUUIOXEV-UHFFFAOYSA-N 449.784 4.660 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2ccncc2)CC1 1722574690 PVEYKFWEZBKRRY-FQEVSTJZSA-N 447.583 4.857 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCOC[C@@H]2C)CC1 1722577120 XWTWQXSZRSMKEH-FUHWJXTLSA-N 445.405 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1722586558 ISPOGNBRUVPVTE-LJQANCHMSA-N 434.588 4.599 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(CC)C1 1722590481 FPLMBMJGMQCLGO-RUZDIDTESA-N 437.636 4.681 30 10 IJEE C=CC[C@@H](Cn1c(CC2CC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1722595967 AAQYNYFXXBPLAP-NQIIRXRSSA-N 447.549 4.663 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722606096 DEUGYXIAWYSKNP-UHFFFAOYSA-N 434.506 4.767 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C1CC(C(C)(C)C)C1 1722652791 NFYQWOFJTUQDRV-UHFFFAOYSA-N 432.572 4.934 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)c1ccc(F)cc1)C1CC1 1722654237 SKZKTUHPYFSFMD-BHIFYINESA-N 442.579 4.878 30 10 IJEE CC(C)SCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H](C)CC#N 1723731326 GGCWXJUHYPFEOA-CYBMUJFWSA-N 440.386 4.727 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1740711996 ZJNRXAMZLWUZJD-CVEARBPZSA-N 433.419 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1Cc1cccnc1OCC(F)F 1740771003 ONHPLRCRPLDBOZ-UHFFFAOYSA-N 427.499 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C2CC2)CC1 1740774590 VWVFOXXAWLXQJV-UHFFFAOYSA-N 443.636 4.985 30 10 IJEE C=C(Cn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1740800015 DAKJYHKJLIGNHN-BVAGGSTKSA-N 438.616 4.905 30 10 IJEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1740876234 PICIEOUJVKCCQV-GJZGRUSLSA-N 441.523 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H]1OC 1740917148 IOSFXZZLGPGHOO-XZOQPEGZSA-N 447.608 4.810 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)cc1 1740966755 QCXDTGGTSNALKQ-OXQOHEQNSA-N 443.473 4.588 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC1CCOCC1 1748735540 HQFKGCCGOLQIRX-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC(CC)(CC)SC 1748944852 HFBMREZRNNYCRY-FQEVSTJZSA-N 444.620 4.873 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1749023367 SNIWMHBAFYWMDJ-LPHOPBHVSA-N 445.430 4.843 30 10 IJEE C#CCSCCn1c(N2CCCC[C@@H](SC)C2)nnc1C1(c2ccccc2)CCC1 1749048445 NYWQDFOPDLQEMJ-OAQYLSRUSA-N 440.682 4.836 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749252980 WOAPZJWXFKYDEW-ZVDOUQERSA-N 430.980 4.793 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)c(OC)c2)CC1 1749305598 YSYPCASVTZRTDB-UHFFFAOYSA-N 429.977 4.501 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1749312645 QSITUMFUSWMQPW-JOCHJYFZSA-N 444.988 4.636 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749392833 AMWQKCGOGZPJLZ-KRWDZBQOSA-N 444.992 4.693 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(Cl)nc1)C1CC1 1749508595 VCJXQAYAFZBJFX-HNNXBMFYSA-N 427.911 4.809 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CCN1CCc2sccc2C1 1749536494 MMDMEARPYBFYQW-UHFFFAOYSA-N 435.641 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccccc1 1749550599 DCUSAARXMUMRAQ-XMMPIXPASA-N 431.565 4.502 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@H](C)C1CCC1 1749746093 REIGYNXOGCVSHO-CQSZACIVSA-N 438.439 4.970 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760133182 ZPZFPTNJQCCPNT-MRXNPFEDSA-N 442.926 4.617 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)c1nc(C)cs1 1760164995 GOXKWGKTCAJLAR-KRWDZBQOSA-N 444.608 4.991 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nc(C(F)(F)F)cs2)CC1 1760390492 HNUFYNYRHIBFRV-UHFFFAOYSA-N 437.466 4.688 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1763494802 CAOSGLGSBFLWQA-CYBMUJFWSA-N 434.491 4.823 30 10 IJEE CN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1767206414 DKAAJWXHLRDSRT-UHFFFAOYSA-N 426.446 4.515 30 10 IJEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C(CC)CC)no2)C1 1767703925 GDXRGVIGRGVGQE-NRFANRHFSA-N 448.571 4.762 30 10 IJEE CSC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H](C)CC#N 1770367420 FWMZTYYBTODPMR-QGZVFWFLSA-N 439.585 4.997 30 10 IJEE COCCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@](F)(C#N)C1 1770966868 DLWCROGEVKSSLM-MWTRTKDXSA-N 445.608 4.636 30 10 IJEE CN(C)c1ccc(/C=C2\SC(=NN=Cc3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 1772757114 ACTTVGHSZXFOOP-SRUQFNRKSA-N 448.523 4.991 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(CNC(=O)c2cccc(Br)c2)cc1 1860854922 RBIYSSAIUOAUOP-UHFFFAOYSA-N 434.293 4.503 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)c(OCC)c1 1862461752 MSEAOTIMJYPRMR-FQEVSTJZSA-N 449.425 4.587 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1862653350 QXSXMNCKDPUECC-NRFANRHFSA-N 439.870 4.857 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1OC 1862655186 BJWLMFPRLCWAIA-HSZRJFAPSA-N 429.472 4.598 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862679678 JXFFJPDBPVKXBU-SPLOXXLWSA-N 427.472 4.610 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)cc1 1862849503 RMWPGYRQZYALOC-UHFFFAOYSA-N 440.462 4.980 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(C#N)cc1 1866658641 YBZBZIYQMOVHGR-NRFANRHFSA-N 448.498 4.517 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(Cc3ccccc3)CC2)nc(-c2ccc(C)cc2)n1 1867965722 JISPQZQBTARSIM-UHFFFAOYSA-N 439.607 4.953 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1cc(C)cc(C)c1 1871190250 DEUKKNFZSKXCFY-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871912469 WGGSCYKFXRFIMI-JPYJTQIMSA-N 428.598 4.924 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)c(OC)c1OC 1872787921 BFLHYGQVPKBETR-QGZVFWFLSA-N 447.516 4.736 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCCC3)ncnc2n1CCOC 1873590911 LWAAJQSBGUWNDG-UHFFFAOYSA-N 443.636 4.939 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OC(F)(F)F)cc1)n2CCCC 1873613009 SMXJOQAUCAMZHF-UHFFFAOYSA-N 433.434 4.980 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(C)(C)C)cc1)n2CCOC 1873656703 ILNLOBIJCUGLOT-UHFFFAOYSA-N 447.583 4.806 30 10 IJEE COc1cc(/C=N/Nc2ncnc3[nH]cnc23)ccc1OCc1ccc(Cl)cc1Cl 1873793716 HJWIDRSWPUNRJQ-FLUNURKVSA-N 443.294 4.693 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874354963 KRCYBBFXJCXKQE-LPYMAVHISA-N 443.370 4.918 30 10 IJEE CCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SC)cc1OCC 1874377190 JVKVDGKDVWLSBT-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2cccs2)o1 1874412629 SOQOJSPNSCQFDQ-RGVLZGJSSA-N 444.563 4.546 30 10 IJEE CC(=O)NCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(C)cc1 1874434489 IEXDCGNFKXKUGR-YSURURNPSA-N 448.379 4.704 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccc(F)cc2)cc1 1874471754 VVVJSODPTXWWQN-BUVRLJJBSA-N 428.533 4.569 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2cc(OCC)c(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 1874607466 PREFJWALUSPXAI-JLHYYAGUSA-N 441.480 4.784 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)c1cccnc1 1875128755 SQFOQIRGRPYWCO-MDZDMXLPSA-N 438.277 4.968 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1cc(Br)c(OC(C)=O)c(OC)c1 1875193655 UJQHDWRZCSBVNX-GQCTYLIASA-N 439.689 4.941 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)c3c(Cl)ccc4cc(Cl)cnc34)CC2)c1 1890551842 FCNVEWHQUQFBCI-UHFFFAOYSA-N 441.318 4.739 30 10 IJEE N#Cc1cccc(NC(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1 1890931375 JWFDCOXLOKMYRY-UHFFFAOYSA-N 434.503 4.975 30 10 IJEE N#CC1(c2ccccc2)CCN(C(=O)c2cc(-c3ccccc3Br)on2)CC1 1891419525 UCONXPQOZXGWEZ-UHFFFAOYSA-N 436.309 4.802 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCC[C@@]1(F)CN(C(=O)OC(C)(C)C)C2 1907036006 UUTRLGAPRBYSBQ-FTBPSBKWSA-N 432.580 4.867 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCc2ccc(Br)cc21 1922073652 GDUHOESSMVOJGZ-PKTZIBPZSA-N 430.386 4.724 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1937852391 MTHKYOXNESHBJO-UKRRQHHQSA-N 447.167 4.552 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNc1cc(Br)c(C#N)cc1F 1962831964 AEAGHUJSJSTSGX-CQSZACIVSA-N 438.341 4.909 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NC 2047968280 QEMQLPLNJUWODD-JKSUJKDBSA-N 429.786 4.540 30 10 IJEE CCCOc1ccc([C@H](C2CCC2)n2nc(C)c(C#N)c2I)cc1 2080118000 NDSBXGGWDVIUNB-SFHVURJKSA-N 435.309 4.846 30 10 IJEE CC1(C)OB(c2cnc(Sc3ccc(F)c(F)c3)c(Br)c2)OC1(C)C 2116131844 FDCOGCFSNFCFMP-UHFFFAOYSA-N 428.107 4.573 30 10 IJEE C[C@H]1C[C@H](C)N(c2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2118157453 WPFMXYSWFXGNRH-STQMWFEESA-N 426.330 4.684 30 10 IJEE COCC[C@@]1(Nc2ccc(Br)cc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162313317 RQUYHJXCQXRLPA-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE N#C[C@](COc1ccc(OCc2ccccc2)cc1)(NC1CC1)C1(Br)CC1 2206669724 QLWZUNLHSHJMCU-JOCHJYFZSA-N 427.342 4.586 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 2235734636 WZJMVEDYXCZSQS-UXHICEINSA-N 435.406 4.862 30 10 IJEE Cc1cnc(Nc2cc(F)c(Br)c(Cl)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2241101177 ZOVJXDKOCAKDBI-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CCN[C@@H](CC#C[Si](C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248454230 QKGGRASDYSAKGC-QFIPXVFZSA-N 444.692 4.689 30 10 IJEE C=CCCC1([C@H](NCC)c2sncc2Br)CN(C(=O)OC(C)(C)C)C1 2254994701 SLICOLVGHCCQPU-OAHLLOKOSA-N 430.412 4.760 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2267096186 IHKVFLAWEQQWJG-UHFFFAOYSA-N 444.381 4.565 30 10 IJEE C=CCc1cc(C=C2SC(=Nc3ccccc3)N(CCOC)C2=O)cc(OCC)c1O 2293338368 AEGVHIMLSMGTFD-UHFFFAOYSA-N 438.549 4.770 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@H](O)C#Cc2cccc(Br)c2)CC1 2296223543 AXNHAFBMWGFNJT-GOSISDBHSA-N 440.353 4.538 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(O)C#Cc2cccc(Br)c2)C1 2296225548 WFJWFPKCKMIARS-VXKWHMMOSA-N 434.374 4.733 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2296268032 ZOHNWFCIUPAOGT-MTFMMBMASA-N 433.390 4.567 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2296271147 CLJVILOECWACMJ-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)F 2296271366 DZGOPHASGSPIBX-ZWKOTPCHSA-N 441.385 4.810 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2CCCC[C@H]21 2306521326 JZQIARSYIRAITP-DNRQZRRGSA-N 428.573 4.698 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 2314429713 MZKXYPAVUJAKOM-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCC(=NOCC(=O)OC1CCC(C(C)(C)C)CC1)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 2318633264 QCWHLXCSRNUPRH-IVMQYODDSA-N 444.572 4.709 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3CN(CCCc3nc5ccccc5[nH]3)CO4)C2=O)o1 2322192868 HIISWTFZPLDUBO-UHFFFAOYSA-N 441.487 4.865 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Br)c1OCCO 2323768072 HWUSABXQOHEKDH-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc(O)c2CN(CCO)Cc1ccccc1 2324009890 WFOIOBDRYVMPLP-UHFFFAOYSA-N 435.907 4.656 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2325572122 AMHNUFBBVIQCJG-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OC)c(OC)c3)c2)c1 2325706343 NYHBZNLONACXAV-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE OCCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2327989497 NEOBEPFPCWHWGX-UHFFFAOYSA-N 435.380 4.727 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccco1 2330066326 ISDJZIXSEUGNBI-INIZCTEOSA-N 449.511 4.775 30 10 IJEE COc1cc(C=NNC(=S)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 2330452691 NZCHHSQFDHHGHK-HQMSXXKGSA-N 437.609 4.897 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCCc1ccccc1 2330493620 MALMMYFCULWPFF-UHFFFAOYSA-N 442.544 4.784 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cccc(O)c1 2331320701 WATCKSFDTKFXAC-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2cccc(Cl)c2)c(C)c1 2332187627 VZPLFOJZJHJQOV-UHFFFAOYSA-N 434.931 4.599 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1OC 2339680665 ZFHHOQWHPFLZJH-IAGOWNOFSA-N 427.383 4.886 30 10 IJEE CC[C@@H](NCC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839640 WBRDCLCCPLCFDE-JYFHCDHNSA-N 448.460 4.939 30 10 IJEE CCCCCSc1nc2n(n1)[C@H](c1ccc(OCC)c(OC)c1)C1=C(CCCC1=O)N2 20850855 FUXQTPPUIONRAQ-OAQYLSRUSA-N 442.585 4.990 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccccc1 36805849 YYBYTKUZGRWZCD-SJORKVTESA-N 440.544 4.540 30 10 IJEE COCCc1nc2sc(C)c(-c3cccc(OC)c3)c2c(=O)n1Cc1cccc(C#N)c1 96528589 NIEWGWVOHIHUTN-UHFFFAOYSA-N 445.544 4.551 30 10 IJEE CCOc1ccccc1/C=C1/Oc2cc(OCC(=O)c3ccc(OC)cc3)ccc2C1=O 110528376 QEMLSJAUPRAWGM-AFUMVMLFSA-N 430.456 4.972 30 10 IJEE CCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)c(OCC)c1 169943477 VXOGVOUHTUNFHB-UCQKPKSFSA-N 425.510 4.840 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 169964533 DMDUAOPXSNFFHE-QHCPKHFHSA-N 447.462 4.709 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)cc1 170001258 JEQWPZDDSSUYNO-QHCPKHFHSA-N 439.471 4.677 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1cccc(OC)c1 170120630 AZPFOEJEVHSCBZ-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(OCC(C)C)cc1 170167510 QWFRWLGYUHPTLH-IBGZPJMESA-N 428.554 4.783 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)cc1 170172831 WRJNKJXZSBWIBN-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccnc2)c1C 170187917 OAWNETHJTPPWEI-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)ccc1OC(C)C 170192997 AJWJWRLQEMDEPJ-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1C(C)C 170208049 KYPJAAYENMMTNL-QFIPXVFZSA-N 432.476 4.585 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1 170230897 NWXIWNINPDZIPL-NRFANRHFSA-N 448.906 4.831 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)cc1 170296778 DOZXEUHQMNIPPD-QFIPXVFZSA-N 435.451 4.638 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(C)o1 170306909 GMDCEKSNCMYZCN-IBGZPJMESA-N 427.840 4.622 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccncc2)cc1 170413979 NOMNQPDAYZMZBF-DEOSSOPVSA-N 441.531 4.706 30 10 IJEE Cc1ccc(-c2nc(C#N)c(NN=C3C(=O)N(Cc4ccccc4)c4ccccc43)o2)cc1 254525580 UPRVKBWBMSBSQX-UHFFFAOYSA-N 433.471 4.885 30 10 IJEE CC1(C)OB(c2ccccc2NC(=O)c2cccc(OCc3ccccc3)c2)OC1(C)C 404972822 SDUSWNCRTRGRAI-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCCC 407833955 WTYDZFYFKKIBKE-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE COc1cc(C)cc(NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C 427884921 JYJVOPUXNGCZEP-UHFFFAOYSA-N 443.503 4.534 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 502522475 CWYXIXXFOOJQMD-FQRUVTKNSA-N 431.536 4.678 30 10 IJEE Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 517591419 BVMCKEKWNVCHJM-UHFFFAOYSA-N 445.498 4.975 30 10 IJEE CN1CCC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)[C@H]1c1cccs1 525040435 FYHOBJQWFYLVGN-AVRDEDQJSA-N 435.549 4.605 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(F)cc1 526827702 DBNVQAQCDCZUCM-OYKKKHCWSA-N 426.517 4.721 30 10 IJEE C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccc(C#N)cc1 536010656 AWLSHIUOJUUOOT-KUHUBIRLSA-N 445.304 4.771 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C2CCOCC2)CC1 554619193 UGOBCEPNLOARTM-UHFFFAOYSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 568654166 VLSDIMYAGLHYME-UHFFFAOYSA-N 442.567 4.736 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@@]3(C)[C@H](C2)C3(F)F)c1=S 793522121 CYRHITYJLPAIJY-LPHOPBHVSA-N 440.947 4.767 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1)c1ccc(F)cc1 794894570 ZLYVFZHIARWJKT-JOCHJYFZSA-N 432.520 4.969 30 10 IJEE N#C[C@H](C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc(O)c2c3c(sc2n1)CCCC3 916847093 LHAWWODVDAFSDQ-CQSZACIVSA-N 447.438 4.593 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccc(Cl)cc2)n1 1125672130 DALDMUJHAVJTDZ-UHFFFAOYSA-N 449.711 4.651 30 10 IJEE Cc1ccc(NC(=O)c2ccsc2C#N)cc1S(=O)(=O)Nc1ccccc1Cl 1136057874 DMINHRIALJVDSF-UHFFFAOYSA-N 431.926 4.635 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 1136669367 AKAHQTOVGLZGAH-UHFFFAOYSA-N 430.390 4.627 30 10 IJEE C#C[C@@H](NC(=O)c1nccnc1-c1nc2ccccc2s1)c1ccc(Br)cc1 1141460728 FHOYZBLVQNIDJS-OAHLLOKOSA-N 449.333 4.620 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2(CC(=O)OC(C)(C)C)CCCCC2)cc1OC 1141853760 ZTDZAUVJWVVMDR-QBFSEMIESA-N 429.557 4.824 30 10 IJEE C#CCN(C(=O)CCCc1nc(C)cs1)[C@@H]1CCOc2ccc(Br)cc21 1146862658 WTLMHIBCMACPHT-QGZVFWFLSA-N 433.371 4.522 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1160816346 OICZZMGSIXCNNR-NHCUHLMSSA-N 426.944 4.657 30 10 IJEE C=CC[C@H](Sc1nc2sc(CC)c(C)c2c(=O)n1-c1cccc(OC)c1)C(=O)OC 1164637414 IWAQUBWMSISBSZ-KRWDZBQOSA-N 444.578 4.536 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc(OC)c1OC 1186107156 UBLFUIVFYHVIKH-UHFFFAOYSA-N 437.517 4.810 30 10 IJEE C[C@]1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCCC[C@@H]1O 1199731202 BOXRIARENRDCMD-JTHBVZDNSA-N 427.932 4.853 30 10 IJEE C#CCN(C(=O)Nc1nc2c(s1)CCCC2(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1205948846 SHDBILNXTQTMAF-UHFFFAOYSA-N 446.617 4.624 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)C1 1219064846 HAGAYAUUACSASD-AWEZNQCLSA-N 435.753 4.615 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cnn(C(C)(C)C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1219604367 YWGCKWLDJVCITD-QGZVFWFLSA-N 438.450 4.639 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1OC 1226413585 XRSHBTFYKGPIBG-HNNXBMFYSA-N 433.346 4.925 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 1229990591 WVLZGDSCLSELFV-FYYLOGMGSA-N 443.385 4.630 30 10 IJEE C#CC[C@@]1(C(=O)NCCCc2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1264805146 KVGBHETTZINXDJ-QFIPXVFZSA-N 438.490 4.547 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1 1267606672 GHCGRAXVYHJCRH-HXUWFJFHSA-N 444.760 4.528 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(CC)CCOCC1 1286454497 YNLVNTGJZIFQGM-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H]1CSCCS1 1286456383 QGGMXSYLZHMCTD-FQEVSTJZSA-N 430.618 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)C(C)(C)C 1286565676 GUYORZKJBZPNGH-UHFFFAOYSA-N 425.621 4.807 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1c(C)noc1C 1286730575 XBFBNXQFZQVWRN-UHFFFAOYSA-N 429.952 4.527 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)c1cccs1 1286755288 SREMKVMULDEORV-DEOSSOPVSA-N 433.581 4.584 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286770016 LHPWXXPRNJZDJX-UZLBHIALSA-N 445.489 4.695 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C(C)C)C1 1286771639 DACDVLRGPNFSHH-MRXNPFEDSA-N 425.371 4.611 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCC(F)(F)CC2)C1 1286805326 QPXLDQUJZSSZEE-QGZVFWFLSA-N 437.922 4.600 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)NCC1CCN(Cc2ccccc2)CC1 1291998920 GJMYMPJXPPGTBM-UHFFFAOYSA-N 425.532 4.993 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC[C@H](C)N2CCCCC2)cc1 1292494600 GBKYDTJRIXFTJH-NRFANRHFSA-N 434.632 4.902 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC=C(C)C 1300801162 HVXHVFJGIFYATE-AREMUKBSSA-N 444.583 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1 1300925675 ABPQGKWVOVNTCX-KDURUIRLSA-N 431.625 4.887 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(C)o1 1301176173 RJLDKRGAVQPXQA-UHFFFAOYSA-N 432.366 4.940 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1301236805 JZFZUOREFOZSBW-HUUCEWRRSA-N 441.523 4.955 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1301278271 JYHRTOPXFOLZBW-UHFFFAOYSA-N 438.576 4.522 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCCN1CCCO[C@H](C)C1 1301349578 PYSXFWCKJGGNBX-JOCHJYFZSA-N 439.648 4.560 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1(OC)CCCCC1 1301351748 ZQRIBDXGPDNHMU-UHFFFAOYSA-N 437.563 4.965 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1Cc1c(C)noc1C 1301365183 JNOGJCDGTQKGSJ-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@@H](C)C1 1301597552 SGQRWPZBAVBJGJ-OAHLLOKOSA-N 438.439 4.592 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cc(Br)ccc1OC 1305476660 IEDGVJVRKYWDMA-YCRPNKLZSA-N 446.393 4.741 30 10 IJEE C=CCn1c(SC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccncc1 1307262858 WSIHIFVLLBJDCJ-QGZVFWFLSA-N 429.590 4.655 30 10 IJEE CCSc1ccccc1CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1307653375 FSDSFMBHCXSGBP-HXUWFJFHSA-N 430.415 4.944 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(c2nc3c(s2)CCCC3)CC1 1307864444 YCOXMCLRJUUPRV-KRWDZBQOSA-N 429.655 4.866 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](C)c1noc(COCC)n1)c1ccc(C(F)(F)F)cc1 1312343306 RJDAKOYBTZYMPO-CZUORRHYSA-N 426.439 4.693 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Sc3nccn3C)cc2)CCCN1C(=O)OC(C)(C)C 1349400415 ZNFYXSUGZUBMGM-HSZRJFAPSA-N 442.585 4.856 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1cc(Br)ccc1Cl 1352466918 DXTWJGZQZYFEAN-UHFFFAOYSA-N 444.510 4.754 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(C)(C)C1CCCCC1 1356552191 DYHBDUWCLDSDJB-UHFFFAOYSA-N 437.378 4.821 30 10 IJEE C=CCCn1cc(C(=O)Nc2nc(-c3ccc(OCc4ccccc4)cc3)cs2)nn1 1358216212 KYWMBTCTBVNGON-UHFFFAOYSA-N 431.521 4.809 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCCC1 1358877352 CDVWERJWWONWIO-GOSISDBHSA-N 425.646 4.608 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1358908381 VIUSNAWUDHEYIE-RXVVDRJESA-N 435.959 4.763 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1358933144 JJFONZUPBXSTFN-SIKLNZKXSA-N 447.410 4.505 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)C1CCCCC1 1359048030 CKDNXKFVWDHBKS-UHFFFAOYSA-N 439.629 4.673 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)CC1 1359168936 NTNWCJWJFCQLIS-MRXNPFEDSA-N 437.371 4.747 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC(C)(C)C)CC1 1359177231 FVRHAIPXIKWOEG-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1359201700 XAPTZQSWJSCKPS-RBUKOAKNSA-N 442.608 4.759 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1359261658 QICQINJGQHNSLZ-SXWKCWPCSA-N 441.595 4.582 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCc1nccs1 1359265158 ZWRDZRWDEBJUCO-UHFFFAOYSA-N 427.624 4.884 30 10 IJEE CC(C)(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1nccc(C(F)F)n1 1359502035 ARQDFJFICFJPLR-UHFFFAOYSA-N 449.509 4.517 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(Br)cc2OC(C)C)cc(OC)c1OC 1434918249 DLNUNKACSZZEDJ-UHFFFAOYSA-N 448.357 4.912 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cn4ccc(Br)cc4n3)cc2)c1 1435023275 FBOFABFBJWKSQO-UHFFFAOYSA-N 447.292 4.800 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1436082881 NAEWBBQASFQTNK-RTWAWAEBSA-N 441.369 4.811 30 10 IJEE C#C[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C 1436644486 PJEGKVNNDAHDGM-AWEZNQCLSA-N 445.375 4.780 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 1436684813 FHERMFILTFETEE-BJKOFHAPSA-N 426.560 4.996 30 10 IJEE N#Cc1ccc(NCC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)nc1 1440593348 FWSUJVSZOKGCJW-UHFFFAOYSA-N 439.338 4.918 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCc1ccc(Br)cc1 1443592326 OPKXSPBJDVNXJD-SFHVURJKSA-N 439.394 4.700 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c1 1446500587 XQHLCFWETZISJZ-FQEVSTJZSA-N 437.483 4.630 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CCc1ccccc1)C(F)F 1454466936 GJVWZIVUNWJOTH-IRXDYDNUSA-N 430.923 4.747 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 1455284626 VBGFSPUIXWZVEK-XHSDSOJGSA-N 432.870 4.713 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)c1 1455948737 LOYXULXQLCZGJU-FQEVSTJZSA-N 430.454 4.532 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 1458874625 MPWITPJAOQOTJT-DLBZAZTESA-N 444.567 4.522 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1C 1459605390 DBSGTOCDKGJEDE-FYYLOGMGSA-N 439.625 4.980 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)c1 1459654931 KCAKHBNYGKUMHK-DEOSSOPVSA-N 443.934 4.769 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)c1 1459748531 JQZKQHPUUOGNHE-SANMLTNESA-N 437.543 4.814 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)CCCN1C(=O)OC(C)(C)C 1462400450 YJPLTCBOYFBTKF-RBZOQEBVSA-N 428.529 4.547 30 10 IJEE CCOc1ccccc1Oc1ccccc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1463586256 AGWCKMHVKIDJIT-UHFFFAOYSA-N 441.531 4.707 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)C1 1465760888 YFXZVRBQOPHDFA-NRFANRHFSA-N 447.558 4.951 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1ccc(F)c(F)c1 1467127445 YZMBNTRLMGZHGO-QGZVFWFLSA-N 445.363 4.721 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C 1468869287 WVWDZBBOLVDVQB-OFQRWUPVSA-N 433.350 4.621 30 10 IJEE C#Cc1cccc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1 1470138150 NOPWKTFWDMIVCN-FQEVSTJZSA-N 437.893 4.746 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)NCc1cc(C#N)ccc1F 1471349989 FUOSYWFJAGVJAS-HXUWFJFHSA-N 448.464 4.917 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1471600522 VGAZXCPAKSAYPN-NNWRFLSQSA-N 427.589 4.952 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1OC 1474157211 OIRYJPZRALPBJG-KKSFZXQISA-N 446.950 4.894 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1 1476760127 ORNIJAWAJVZGHM-UHFFFAOYSA-N 428.876 4.618 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1477864050 PPENXFVRZDKTST-YADHBBJMSA-N 429.967 4.930 30 10 IJEE Cc1nc(CCn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)cs1 1492687302 FJAGFZOAOVPYMH-UHFFFAOYSA-N 426.977 4.736 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)cn1 1501250012 DNKAJZNXRALQIM-OALUTQOASA-N 430.556 4.531 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CC)CCC1 1507522627 XBSFQLVIRGKVGY-HNNXBMFYSA-N 431.378 4.754 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2C)CC1 1507680335 ABNUXHWBROHEFQ-UHFFFAOYSA-N 438.373 4.535 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)OCCOC)n1C1CC(C(C)(C)C)C1 1507700331 QLZPGQLZFPWGEW-HOHBBMLPSA-N 442.579 4.778 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1507743949 GFOZIHUJDHMXHF-RBUKOAKNSA-N 433.021 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1507803344 BCLQUMAHBWTGEO-DSBYRVASSA-N 449.599 4.585 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1507940299 YRVFHDCLJYOSKT-XMSQKQJNSA-N 437.613 4.957 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1ccsc1 1507967367 FFBHWHYZILWREM-QVKFZJNVSA-N 432.977 4.663 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(OCCOC)c(F)c2)s1 1518244095 YYSVSXWZKZZXTM-UHFFFAOYSA-N 430.954 4.642 30 10 IJEE C#CC[C@@H](NC(=O)CCCCc1ccc(I)cc1)c1ccccc1 1518872023 ABLKMTXVHRSNIP-HXUWFJFHSA-N 431.317 4.885 30 10 IJEE O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 1519371191 CIYPPMXEZKEOAT-HNNXBMFYSA-N 446.326 4.849 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1521289368 GDEBEUCBKBNFII-HXUWFJFHSA-N 428.863 4.673 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(F)c3ccncc23)c(C(=O)OCC)c1C 1524510661 ZUYXQOIDNLWWJN-UHFFFAOYSA-N 442.468 4.516 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCC(C)CC2)cc1OC 1525287534 LEJBJVMQXXVTMU-ZRDIBKRKSA-N 434.580 4.822 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(F)cc2Br)CCCN1C(=O)OC(C)(C)C 1527094458 IEFSCDSMVNXUTF-LJQANCHMSA-N 427.314 4.873 30 10 IJEE Cc1nc(SCC(=O)N[C@@H](C)c2ccc(Br)cc2F)c(C#N)c(C)c1C 1527282190 HUTXMHPEMZNNBP-ZDUSSCGKSA-N 436.350 4.750 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1OC 1530155076 KAZRYJUOTYVVCF-BXCOODLOSA-N 431.536 4.992 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21 1532076867 ZNTOCNXBXLTANZ-UHFFFAOYSA-N 428.458 4.544 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)C1CCOCC1 1532933849 DOUNVVAOHURWPN-OAQYLSRUSA-N 449.348 4.823 30 10 IJEE C=CCC[C@H](NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)c1ccccc1 1534344995 ZKDGSULKZTUFNK-FQEVSTJZSA-N 441.453 4.997 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2cc(OC)c(C(C)=O)cc2OC)s1 1534468785 MXIMWVSQILELCN-UHFFFAOYSA-N 441.958 4.664 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 1538120347 HWLJUKCBITWXJH-GASCZTMLSA-N 442.478 4.740 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 1539052641 HMOVLGITBUBZOW-HXUWFJFHSA-N 440.563 4.758 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C1CC(C(C)(C)C)C1 1539391338 CHRURZFCMCMUDX-UHFFFAOYSA-N 448.590 4.916 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(C)C1 1539622355 WPXZNVIZGKQLHB-ICSRJNTNSA-N 430.499 4.684 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCC(C)CC2)CC1 1539829379 XHEJEXWOILESRP-QHCPKHFHSA-N 437.632 4.923 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2c(CC)nn(C)c2CC)CC1 1539831516 JKWGOXOXQUINKJ-NRFANRHFSA-N 432.616 4.883 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)c2ccccn2)CC1 1539877939 LJISCZOEBCJMAM-UHFFFAOYSA-N 432.528 4.629 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 1540051182 UBKIKPQDNQSMMC-SFHVURJKSA-N 426.561 4.951 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC1(N2CCSCC2)CCCCC1 1540057793 INIKDTKKRNVMQQ-UHFFFAOYSA-N 439.673 4.881 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1540137094 PKXIUROUHKSLLO-VQTJNVASSA-N 425.596 4.998 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1c(CC)noc1C 1540185074 LRMDRAUZTSYLBH-UHFFFAOYSA-N 442.523 4.552 30 10 IJEE C[C@@H](Cn1c(N2CCC(CC#N)CC2)nnc1C(C)(C)C)c1nc(-c2ccccc2)no1 1541867415 CHWBQYWAHQYISR-KRWDZBQOSA-N 433.560 4.559 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(SC(C)(C)C)cc2C)s1 1542637799 KYJUVIAAPQLYIJ-UHFFFAOYSA-N 438.640 4.593 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 1543866108 JQOKIVFPJJZLCC-NQIIRXRSSA-N 441.984 4.680 30 10 IJEE COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 1545064895 AYUXQEJAOGFTMP-KRWDZBQOSA-N 444.373 4.529 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](C)C#N)NC(=O)OC(C)(C)C 1545774102 DIVHJEZLDHSYAG-MRXNPFEDSA-N 444.580 4.526 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1nc(C(C)C)cs1 1554762916 DQMQMQLXEZBHBM-CQSZACIVSA-N 444.992 4.974 30 10 IJEE CS[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1555851619 DQXYHZQQWAZCMV-PGRDOPGGSA-N 426.565 4.646 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2cc(C(=O)OC)sc12 1556791329 KTQNHTJGIVLDFS-AWEZNQCLSA-N 438.933 4.662 30 10 IJEE CCC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CCN1Cc1ccccc1 1559676443 IECZJEHKEUBFQM-JYFHCDHNSA-N 432.612 4.617 30 10 IJEE C=CCOc1c(Br)cc(CNCc2c(F)c(F)cc(F)c2F)cc1OC 1560368211 ISHDVJNRRBGOBM-UHFFFAOYSA-N 434.227 4.869 30 10 IJEE COC(=O)c1ccc(-c2ccc(CN3CCN(c4ccc(C#N)cc4Cl)CC3)o2)cc1 1560791321 GOZGXTDDMIMAMQ-UHFFFAOYSA-N 435.911 4.580 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 1562929536 YIBKJKGGWXEMCO-RHSMWYFYSA-N 436.350 4.858 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(C(F)(F)F)cc1 1564005312 IJOOVAAFYHSPEI-RBUKOAKNSA-N 449.448 4.957 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1564013326 ALKKDKPOWULQER-FQEVSTJZSA-N 433.930 4.980 30 10 IJEE C#CC[C@H]1CCCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)C1 1564502210 BHRMUDYJSCFRFB-CVDCTZTESA-N 435.568 4.851 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1 1567637083 DTAVITGFUVJNAH-UHFFFAOYSA-N 444.487 4.534 30 10 IJEE C#CCn1cc(CNC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)cn1 1568548950 RNSLJZWVAGYANG-UHFFFAOYSA-N 427.529 4.754 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)COCc1nc2ccccc2s1 1583506564 SZEWHYLPZNIQDM-UHFFFAOYSA-N 433.327 4.779 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)cc1OC 1585527438 MEGWPTLYXAPAFK-MHWRWJLKSA-N 443.547 4.968 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)C[C@H](C(C)(C)CC)CC4)cc2C1=O 1587057129 GKIMEQXZMOJWDF-OAHLLOKOSA-N 437.565 4.719 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)C1CCCCC1 1588266125 LUCGQJLUPJQYBU-RLWLMLJZSA-N 438.616 4.826 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1CCC[C@H](C)C1 1588271116 DUVYKBFJPVXSDS-QFIPXVFZSA-N 433.644 4.718 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(F)(F)CC1 1589567918 GVZKVDXEOKPHDN-DENIHFKCSA-N 446.542 4.636 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[C@H]2CCOC2)CC1 1594127825 GPDLBDZZCOBBFR-INIZCTEOSA-N 437.371 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)[C@H](C)C1 1594472592 GKNXSQZTQVPGPC-CQSZACIVSA-N 436.387 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCc2cc(OC)c(C)cc2C1 1594511024 IQNLZJWRAFZSFI-UHFFFAOYSA-N 431.584 4.746 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1594615614 KTZLNXNDFNTKKP-LEWJYISDSA-N 432.515 4.732 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cn2ccc(C)cc2n1 1594856539 GUFHZEISXIFCIC-QGZVFWFLSA-N 436.947 4.698 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H](C)c1ccccc1 1595013847 MALOHLZQEABJFB-NRSPTQNISA-N 439.604 4.865 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1C 1595085602 YKPGCACMWLVPHE-XXBNENTESA-N 448.615 4.777 30 10 IJEE C#CCN1CCC(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CC1 1596735931 MKTKHEVKAYCIST-UHFFFAOYSA-N 432.898 4.714 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2O)c1 1597056655 KQUQSFSJFPWFQL-UHFFFAOYSA-N 442.924 4.679 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@H](C)C2)c1 1616456301 GFYGHTMKKXAVJX-IRXDYDNUSA-N 432.973 4.640 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc(O)c([N+](=O)[O-])c1)c1ccc(C)c(C)c1 1616626931 CFODMGBIZMHZCM-UHFFFAOYSA-N 433.464 4.724 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC(Cc2ccccc2F)Cc2ccccc2F)cc1 1622928681 GRVQKTWUXVUDAB-UHFFFAOYSA-N 449.501 4.856 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)cc1 1622929792 XLHZHUIBZRIAKE-GOSISDBHSA-N 441.531 4.915 30 10 IJEE Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)c1 1624672326 CGOCANOWWRSSRY-SFHVURJKSA-N 434.540 4.927 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 1630113835 UDQFFZSJWFHDGF-IEBWSBKVSA-N 428.533 4.603 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)c1 1632163491 JYCQRMAWNRUMMA-FQEVSTJZSA-N 447.556 4.554 30 10 IJEE C=CC[C@@]1(C(=O)NCc2nc(-c3ccccc3F)cs2)CCCN1C(=O)OC(C)(C)C 1635197090 PEHFRWXBEBKZJQ-QHCPKHFHSA-N 445.560 4.911 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1 1636673660 CACJAYKLSPJXLN-UHFFFAOYSA-N 427.998 4.794 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1ccc(C#N)c(Br)c1 1639596772 OUDVMNQZMIAFCH-UHFFFAOYSA-N 427.327 4.828 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(C(=O)OCC)cc2)nnc1-c1cccc(Cl)c1 1641018691 BPSKJQUZEPPCJL-UHFFFAOYSA-N 441.940 4.936 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@]3(CC)CCc3ccccc3)ccc2c1=O 1644539891 BKPJUZBZKIZQIN-AREMUKBSSA-N 447.604 4.889 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)C1 1646391663 IKNCJYKOSADKOV-HNNXBMFYSA-N 430.957 4.529 30 10 IJEE CCC(CC)(Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C 1649568819 HECVXMNRHXMUTQ-QHCPKHFHSA-N 446.640 4.789 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cc(O[C@H](C)CC)nc(C)n1 1649609595 SYUTWWBOWKTVOU-CQSZACIVSA-N 429.521 4.609 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1cc(O)nc(-c2ccccc2)n1 1651648578 XZUSDUJGTCNRAW-UHFFFAOYSA-N 449.511 4.637 30 10 IJEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1654778704 GSSQVWATANTUMW-IXDOHACOSA-N 445.629 4.515 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1nc(C)nc2c1CCCC2 1654924537 KYBIUXJBFKLLRC-UHFFFAOYSA-N 427.961 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br 1660552281 ZARKXUDSZWAOLH-RHSMWYFYSA-N 439.350 4.507 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)cc1 1661264454 ASMRPJHSMMICDN-JOCHJYFZSA-N 443.609 4.998 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CCO)c1ccc(Cl)cc1 1662577212 KWADIXNYGLYQDQ-MRXNPFEDSA-N 439.737 4.913 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C 1666357059 KXGSSMJUQNHHDN-QFIPXVFZSA-N 439.968 4.536 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1667925151 GQXSFTJRCIWKOE-FPOVZHCZSA-N 433.637 4.883 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1c(C)sc(C)c1Br 1669164114 FPIVVPGGXFQTDE-UHFFFAOYSA-N 446.436 4.672 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 1670565037 XLGZPWHWPKIMME-UHFFFAOYSA-N 446.429 4.717 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F 1671626814 DAKBXNMGBFIYFQ-UHFFFAOYSA-N 427.810 4.791 30 10 IJEE C=CCOc1ccc(CNC(=O)NC2(c3cc(Br)ccc3OC)CC2)cc1 1682246088 GCXFUPNBGPOMMQ-UHFFFAOYSA-N 431.330 4.511 30 10 IJEE C=CCc1cc(CNC(=O)NCC2(c3ccc(F)cc3Cl)CC2)cc(OC)c1OC 1683367562 ULNJZVIUDFMOMY-UHFFFAOYSA-N 432.923 4.756 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1689881064 DXXNMEOTFKYAQV-UHFFFAOYSA-N 444.023 4.721 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCN1CCCC[C@@H]1CC 1690088373 JNDXOYMTNXVEBS-REWPJTCUSA-N 425.596 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)cc1OC 1690214821 YMZWQSDTTHIDPN-RQNQAMLKSA-N 436.600 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CC)C1 1690242654 AVGFXTMWNIXCTA-UWVAXJGDSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1cccs1 1690253745 SNPJNEODSGVMCV-VGOFRKELSA-N 442.560 4.675 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(c3cc(C)ccc3C)CC2)nnc1C(C)(C)C 1690255599 SZVQHWZPZOFLGQ-FYYLOGMGSA-N 437.632 4.500 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@@H](C)c2cc(F)ccc2F)nnc1[C@]1(OC(C)C)CCOC1 1690354569 VJEVAJCEVPMXAS-BTYIYWSLSA-N 440.922 4.547 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](C)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1690447639 UMKGWLJXWWCXMN-HNVPCBRESA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1690465496 CKYHEDJUZQLCJE-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CCC(=O)N1CCCCC1 1690579171 GXIGZIKHDCVUOQ-UHFFFAOYSA-N 441.645 4.668 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N1CCCCC1 1690590120 OAKGECJNXLTTSN-QHCPKHFHSA-N 442.567 4.815 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC1 1690609516 RCLJMPHQFWCCID-FQEVSTJZSA-N 441.576 4.588 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(C)C)C1 1690711539 COAVERGUCVPQBK-OAQYLSRUSA-N 426.605 4.937 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCCC1 1692652318 GFDBQNLXXBYJCJ-IBGZPJMESA-N 434.613 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCCN1CCCC1 1705481313 DQTXXVUIMIOIMM-VQTJNVASSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1C 1705669210 GISBBEOMCQGYPY-JOCHJYFZSA-N 438.373 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC(C)(C)c1ccc(OC)c(OC)c1 1705674342 GGFRRWWERHMJDD-AREMUKBSSA-N 438.616 4.854 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)[C@H](C)CC)CC1 1705766403 ZFHBNRCTLGXODG-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1705783709 RBWOHMDKCDXOBW-INIZCTEOSA-N 441.576 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705794860 WIPFCBYMHVUJSK-NRFANRHFSA-N 448.615 4.885 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1705809414 QLRNNAGYQWVBLS-OAQYLSRUSA-N 428.552 4.748 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1cccs1 1705835073 ZGFOJSRYPYJVHR-BTYIYWSLSA-N 432.977 4.663 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1Cc1cccc(C(F)(F)F)n1 1705863139 JCCIYEHFIHZGQU-UHFFFAOYSA-N 427.474 4.885 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CC1(OC)CCC(C)CC1 1722418398 PANQCNRYSNFRCY-UHFFFAOYSA-N 435.547 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@@H](F)C1 1722468927 XYHJWGFEZLCZFU-VTJXTGGHSA-N 449.343 4.977 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC 1722498845 FLUHDWVRJSSTNO-HSALFYBXSA-N 447.624 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC2(CCCC2)C1 1722547104 ATTIWHBUOOLRMC-UHFFFAOYSA-N 446.979 4.644 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCC(C)CC2)CC1 1722568330 HWQXHZRPBGUUBH-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1722569563 FIWJBXKENVHMBZ-PZJWPPBQSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(C(C)C)CC1 1722586493 HHDBKBHPAMHVOR-UHFFFAOYSA-N 434.632 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1722589628 LQQDKIHIFIFZCV-UHFFFAOYSA-N 436.604 4.755 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1722613848 SAHNCZCLCTXXKI-HXUWFJFHSA-N 427.911 4.677 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1728227107 DWFCGSZRFLUKHH-RTBURBONSA-N 430.556 4.531 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740566355 SUCHUMYFSPYIKK-FQEVSTJZSA-N 444.526 4.603 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1740570689 IHULOXIENAHKFI-HSZRJFAPSA-N 445.567 4.811 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1c1ccco1 1740711131 HUGPJXBTCAWYTQ-GOSISDBHSA-N 444.507 4.847 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(OC(C)C)c1 1740760495 JDLHHGVSQIRYQM-ZJSXRUAMSA-N 426.605 4.881 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@](C)(O)c1cc(C)oc1C 1740775153 OSRZMOAMBLGPRC-DEOSSOPVSA-N 426.536 4.528 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740835964 KWSCUIMVCKHLKG-QMHKHESXSA-N 432.515 4.500 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCOC1 1740920715 UJMPDEAVVHMLIT-IBGZPJMESA-N 426.561 4.689 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCC[C@@H](O)C1 1740922406 GNJINLSVNZGJHM-AZUAARDMSA-N 438.597 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H]1N(C)CCCC1(C)C 1740923794 VYOGZHJCGSURIS-PZJWPPBQSA-N 443.661 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CCN1CCc2sccc2C1 1749150570 XZSOSQJPCATSCG-UHFFFAOYSA-N 425.577 4.606 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@@H]2OC)CC1 1749297028 YDIHNWJMAAUVTA-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)NCCCC)CC1 1749416229 WXFHXUIHNVUFDM-UHFFFAOYSA-N 429.996 4.697 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ncc(CC)s1)C1CC1 1749508115 JLZOBGFNGZRYFW-OAHLLOKOSA-N 427.549 4.779 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1Cc1nc(C(C)(C)C)cs1 1749544756 MSCIACFXNCEWML-UHFFFAOYSA-N 443.592 4.949 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749564135 QIRZQQITDICJNA-UHFFFAOYSA-N 437.588 4.553 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1749760299 HQABFLWQMCDTPI-KRWDZBQOSA-N 446.571 4.535 30 10 IJEE CC(C)CCN1CCC(Cn2c(Cc3ccccc3F)nnc2N(C)[C@H](C)CC#N)CC1 1750800953 AYQBHCQCTIHCHX-HXUWFJFHSA-N 440.611 4.504 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2CCO[C@@H](C)C2)cc1 1751585699 HBGWVODPNHPQKO-YDHSSHFGSA-N 443.592 4.526 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OC(C)(C)C)CC1 1760133973 VYUXLRYNINGTMS-UHFFFAOYSA-N 440.588 4.550 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)c2cccs2)CC1 1760153959 JQGJRDWVKYNXPI-UHFFFAOYSA-N 436.556 4.582 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)CC 1760243685 PLQBCEWEBRBVRU-UHFFFAOYSA-N 444.558 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1760335644 PELYURRRHLZADI-AVRDEDQJSA-N 426.561 4.702 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](C)C1 1760340347 VIMYRGXIFWNPLK-ZGXWSNOMSA-N 431.625 4.887 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1765085439 HPHZGJOPDNOFFD-HKUYNNGSSA-N 437.979 4.666 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCOc1ccc(Cl)cn1 1767087620 CTSXAMRIFHWHDK-UHFFFAOYSA-N 438.963 4.502 30 10 IJEE CCO[C@@H](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C#N)CC1)C(C)C 1767360692 BXIRMIRMIAMFAF-QHCPKHFHSA-N 439.604 4.665 30 10 IJEE COc1ccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 1860722907 FFDQBWLJGUJYOE-HWKANZROSA-N 447.331 4.962 30 10 IJEE CC1CCN(c2ccc(NC(=O)C(=O)/C=C/c3ccccc3Br)cc2)CC1 1860726122 HXRWMISOSMBPKE-IZZDOVSWSA-N 427.342 4.906 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862437348 PCJYDUBMBSUPAN-RBZFPXEDSA-N 429.900 4.821 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC)c(OC)c1 1862437523 SPQAIQQADFYXLB-ZUOKHONESA-N 429.900 4.734 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(Cl)c2)c1 1862557767 PNCFJFXYNLOHQD-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862579453 PHNMKRMHKCFKRV-SFHVURJKSA-N 436.291 4.609 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(Cl)cc1Cl 1862646146 YPQLQBRBDOWSSI-GOSISDBHSA-N 436.266 4.905 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(F)cc2F)cc1 1862661087 OICIWNLUCDVADV-GCJKJVERSA-N 441.474 4.846 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862666527 GDTHHTNLYDIXMA-QHCPKHFHSA-N 435.520 4.960 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862676345 HHVKEKKOSRNHKG-YMTYPPQLSA-N 438.455 4.891 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2C)cc1 1862698252 DYCMXDLGJOVZJC-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCC[C@@H](C)C1 1870630310 NJXYTVGKAJNAFK-JOCHJYFZSA-N 447.664 4.688 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871006498 JIEVSKJUMNYSML-UHFFFAOYSA-N 430.401 4.679 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1cc(C)cc(C)c1 1871187252 YEYWJEZDWMMIJI-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE Cc1c(OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc2c1O/C(=C\c1ccccc1)C2=O 1871434290 MGLUZMXWZHSJEH-AFPJDJCSSA-N 445.427 4.965 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871454169 CPXFAJHWOUVLOP-XKZIYDEJSA-N 444.443 4.845 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1C 1871459553 QSJHTAQOXJYGFE-MYKKPKGFSA-N 443.455 4.666 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1ccccc1 1872013780 KZCFHZRGFZZBOD-JOCHJYFZSA-N 428.598 4.824 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872110294 HHQGFURGZVWOBN-FDDCHVKYSA-N 439.581 4.788 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872270074 PHKKOSKYZJQWKC-FQEVSTJZSA-N 438.952 4.690 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872562656 WCBYWOZDWPOZDJ-DEOSSOPVSA-N 434.561 4.860 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874267720 LOPFOOUKZLZOON-YDZHTSKRSA-N 444.944 4.688 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)ccc1O 1874465302 BLXUOXDYAOGQFO-ZMOGYAJESA-N 438.484 4.956 30 10 IJEE CCCN(CCC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2ccccc2)cc1OC 1874614683 NZHYYCOJUYWHAJ-OUKQBFOZSA-N 425.525 4.627 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)c(OC)cc1Cl 1875173674 LHNQYWVDBOQOAX-FNORWQNLSA-N 433.844 4.723 30 10 IJEE CCN[C@@H](C#Cc1nc(CC)cs1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 1900962262 MRNGVCUDNPEIFT-NRFANRHFSA-N 427.614 4.863 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1926492538 LIYIJJQGDKNQLC-MWTRTKDXSA-N 431.533 4.586 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@@H]2CNC(=O)OC(C)(C)C)cc1 2006112968 LLQQJPJIAWHXNM-MWTRTKDXSA-N 431.533 4.634 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037435412 DEBCGWLWKWELAB-GJZUVCINSA-N 439.600 4.741 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@]1(O)CN(Cc2ccccc2)C2(CCCCC2)C1 2038658897 RORHUJVKNWSSQA-IXCJQBJRSA-N 434.624 4.687 30 10 IJEE N#Cc1ccc(N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)cc1Br 2043996642 BSDVJQYDLRYTTN-FQEVSTJZSA-N 440.341 4.924 30 10 IJEE CCOc1cc(C=CC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)N(C)C 2053612615 KLQINHLOYPSVMQ-UHFFFAOYSA-N 427.884 4.848 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)c(F)c1 2078983381 YSDUSVMXTYRADW-KUTSLAHISA-N 449.214 4.680 30 10 IJEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1 2079856830 WPIHHYRHRALVNY-QGZVFWFLSA-N 447.320 4.809 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2118191883 JXIAEPWDTNKTSD-LRDDRELGSA-N 426.330 4.732 30 10 IJEE CC1(C)OB(c2ccc(CNCc3cc(Br)ccc3Cl)cc2)OC1(C)C 2151196774 ZGTGIWZYCYJKJR-UHFFFAOYSA-N 436.586 4.692 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180964399 XWSISDVPKNBDLT-CJNGLKHVSA-N 436.350 4.590 30 10 IJEE C#C[C@@]1(Oc2ncc(Br)cc2C(F)(F)F)CCCN(C(=O)OC(C)(C)C)C1 2198814555 FAKRDVNATJHYAR-QGZVFWFLSA-N 449.267 4.645 30 10 IJEE C=CC1CC(CO)(N(CCN(CC)CC)C(=O)OCC2c3ccccc3-c3ccccc32)C1 2211066249 KNAXPCGJIAHQLF-UHFFFAOYSA-N 448.607 4.906 30 10 IJEE CCN[C@H](C#CCOC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227792316 RRIMZCDGESVKLV-NAKRPHOHSA-N 445.559 4.506 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2235715524 BDDDULXUTNQZQL-OALUTQOASA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](N)C#Cc3ccccc3Br)CCC[C@H]12 2235725280 JDWLQJTYHJNIKH-DXIQSLLYSA-N 433.390 4.698 30 10 IJEE COc1ccc(C#C[C@@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2237744532 MHTZJWZOCMOVOQ-LJQANCHMSA-N 432.314 4.890 30 10 IJEE Cc1cnc(N[C@H]2CC(C)(C)CN(Cc3ccccc3)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2241048477 DQVCQAXDYOMBQO-REWPJTCUSA-N 449.448 4.790 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC(F)F)cc2Cl)OC1(C)C 2247886489 BZERKSMEYRHQNS-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Br)c(C#N)c1)CC1CCCC1 2288092590 KIEFUFODEWBHKP-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2296270809 BGAIMKOCUUBSFS-OXJNMPFZSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C(=O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2296274335 UCWSSCBNPPLWHH-CEXWTWQISA-N 432.358 4.795 30 10 IJEE CCC[C@]1([C@@H](O)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296276858 MMYMTSUMRORPKG-UGKGYDQZSA-N 436.390 4.979 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C 2296278651 GNZBOHUNFFVWPA-NSISKUIASA-N 437.422 4.964 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2296293870 OAFMZMPQWRNJAS-GCJKJVERSA-N 433.390 4.616 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317336666 YPFIFSHPZGZSPP-IZGBJUCLSA-N 430.354 4.551 30 10 IJEE COc1cc(C=NNc2nc(O)nnc2C(C)(C)C)ccc1OCc1cc(C)ccc1C 2318414434 BGPSKXPUNWFNGQ-UHFFFAOYSA-N 435.528 4.525 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccc(OC)c2)C4=O)cc1 2321944956 ZZQTYGPJGLOWPT-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2324326140 ZYASZBPKFVDXEW-KRWDZBQOSA-N 444.487 4.811 30 10 IJEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(OC)c(OC)c1)C2=O)C(=O)O 2324781152 FTNIFSWTQIIDHE-SFHVURJKSA-N 426.465 4.651 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301694 FULQSOATMSVHTP-OAHLLOKOSA-N 428.419 4.720 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2325575213 NKSBSPKUZGKKGR-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325627948 HKRDMZIOLGGGIH-CYBMUJFWSA-N 436.445 4.679 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)C1(c2ccc3c(c2)OCO3)CC1 2325731789 PPUWIRRIOGNKBR-UHFFFAOYSA-N 442.467 4.957 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2326094633 WZPLJMCPGGOKIV-UHFFFAOYSA-N 431.905 4.640 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1c(F)cccc1Cl 2326793251 RVSUEIPHZMYJLA-UHFFFAOYSA-N 432.908 4.594 30 10 IJEE CC(C)COc1cccc(C=Nn2cnnc2SCc2ccc(C(=O)OC(C)C)o2)c1 2326862869 OVCPODUJHBEJNU-UHFFFAOYSA-N 442.541 4.646 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(O)cc1O 2327186990 WAPCJDZWYMKSQI-UHFFFAOYSA-N 438.553 4.560 30 10 IJEE C=CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)C)cc1 2327878525 CVQIDAROYXIQCU-IBGZPJMESA-N 425.602 4.676 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2328075473 UKQCSQQWEXKWPT-UHFFFAOYSA-N 445.932 4.715 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)cc1 2328280253 SKWJEVGOHJUKKS-UHFFFAOYSA-N 446.532 4.746 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Br)cc1 2328533599 BKCSPQWOCMOWLG-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cccc(Br)c1 2328629264 DGNVXCXEKODDAD-UHFFFAOYSA-N 445.386 4.829 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(C(=O)O)cc1 2328789335 QAWYIMMMNQCVSQ-UHFFFAOYSA-N 436.537 4.723 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2cccn2C)cc1 2329966327 BEJHMUSRQIWEGP-UHFFFAOYSA-N 446.536 4.599 30 10 IJEE COc1cc(C=Nn2c(CC3CCCCC3)nnc2SCCCO)ccc1OC(C)C 2330283056 TWHDAMIQQIZBOI-UHFFFAOYSA-N 446.617 4.553 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)ccc1O 2330580272 SVAXEMWYPFVXHS-UHFFFAOYSA-N 437.506 4.795 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3OC)c(OC)c2)c1 2330777870 ADWHGAGVQGZFTL-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2330794282 PAFYFRILKCFGLP-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE Cn1cccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1[C@@H]1CCCO1 2330975691 PZJHJCOCAYFWPO-KRWDZBQOSA-N 436.368 4.949 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(Br)c(OC(=O)C2CC2)c(OC)c1 2331072081 OKMWBJRQOITBNA-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1O 2331141846 RDDIIFNRVSJZFP-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)c1OC(C)=O 2331886797 ANPYXLKADALSMH-UHFFFAOYSA-N 434.872 4.586 30 10 IJEE C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339597002 NMULOZONYBUAAC-PKOBYXMFSA-N 444.381 4.751 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)CC1 2340133151 CCYGWVRBUHRZBX-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C[C@H](C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2342475593 RJUVBLJEZWGSFL-FUHWJXTLSA-N 444.381 4.832 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3cc(Cl)ccc3Br)C2)OC1(C)C 2342482503 NHONATJVKKAIIK-SFHVURJKSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@@H](N)C#Cc1ccc(Br)cc1 2363392573 YXHYKSXZZBOWOE-OALUTQOASA-N 435.406 4.944 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2ccc(Br)c(F)c2F)OC1(C)C 2364932341 KTCHIXORNOTOPD-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2 14548032 XQCDRKNRIQHGBG-OHUGHZGNSA-N 432.545 4.836 30 10 IJEE Cc1cc(C)n([C@H](C)C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(=O)n1 40170963 CIGWHCXPQAPLAE-GOSISDBHSA-N 438.487 4.859 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccccn2)C3)C1=O 41587428 MUATXUQMAPPPQM-QRVIBDJDSA-N 428.488 4.757 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1cc(C(F)(F)F)ccc1Cl 59040229 BHKMXPZJRKLUCQ-UHFFFAOYSA-N 446.886 4.940 30 10 IJEE Cc1cccc(N/C(=N\C(=O)c2ccc3c(c2)OCO3)NCCc2c[nH]c3ccccc23)c1 66437619 USKFRROPKSWTCT-UHFFFAOYSA-N 440.503 4.646 30 10 IJEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2sc3ccccc3c2Cl)cc1 109889891 GIQGJNIVZFUVBG-OAHLLOKOSA-N 427.938 4.580 30 10 IJEE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N[C@H](C#N)c3ccc(F)cc3F)c2Cl)cc1 111219368 UFZROAGUIDMBCY-LCCNJJIFSA-N 440.881 4.874 30 10 IJEE CCN1C(=S)N[C@H](c2cccc(OC(=O)c3ccco3)c2)C(C(=O)c2ccccc2)=C1C 169932109 IBNVNTUOGRYNHC-JOCHJYFZSA-N 446.528 4.907 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170041011 LTHVHNQXVHXXRE-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2)cc1 170055417 GZBQIXSFEIXZPA-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170076082 GOCSIBVKJPJGDL-IERDGZPVSA-N 436.895 4.579 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170096779 YMSPFAALRMMPRA-NRFANRHFSA-N 437.879 4.763 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OCC)c3)[C@H]2c2ccco2)cc1 170097836 RSGJHRDGGINNQT-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@@H]3c3ccco3)nc2c1 170098478 YAEMENSLNDEYOC-IBGZPJMESA-N 433.851 4.901 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1cccc(C)c1 170139339 CUHMYLOKDSPGEA-QFIPXVFZSA-N 437.536 4.526 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(C)c1 170147788 JQBOFMFUNJUNQX-RUZDIDTESA-N 446.591 4.794 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccnc1 170185431 PQIPLOBFZKHJFX-NRFANRHFSA-N 434.879 4.835 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(F)c4)[C@@H]3c3ccco3)ccc2O1 170282118 NAWHXXXXXVYKFL-LAJNKCICSA-N 437.398 4.664 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccco2)c1 170288925 DXCGHYICLKZODU-QFIPXVFZSA-N 433.460 4.865 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC(C)=O)cc1 170320180 ZKXSFMGOQMEBGL-DEOSSOPVSA-N 447.531 4.869 30 10 IJEE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CS)cc1Br 394591267 ZPCFGNJHXQGTER-IAGOWNOFSA-N 436.371 4.740 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ncccc1Br)NCCC 407815880 NYXHWZHKYIMEFC-AEFFLSMTSA-N 426.399 4.614 30 10 IJEE CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccccc2SCCC#N)o1 442116450 RBFGNYDVCQJYCE-VQIMIIECSA-N 425.554 4.786 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 460959721 OBOVGZXAILWSFE-HXUWFJFHSA-N 449.511 4.788 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(-c3cccnc3)cc2)cc1 466946886 PIIHJDICKVFRTN-UHFFFAOYSA-N 426.520 4.885 30 10 IJEE C=CCN(C(=O)CCCc1ccc(Br)s1)c1nc(C(=O)OCC)cs1 471260954 QUOTYMPRROPJKZ-UHFFFAOYSA-N 443.388 4.686 30 10 IJEE Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)cc1I 512963138 AFCMNLLFGBMEAN-CQSZACIVSA-N 445.285 4.608 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(OCc2ccccc2OC)CC1 559006445 SEPPNUUUKMADKW-UHFFFAOYSA-N 446.595 4.948 30 10 IJEE Cc1ccc(CCCC(=O)N[C@@H]2CCN[C@@H](C(=O)/C=C/c3cccc(OC(C)C)c3)C2)cc1 585838300 FWLGOHDLFGNHEX-SPHZKDIRSA-N 448.607 4.624 30 10 IJEE COc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256358 IIMYNLIXRDXECA-UHFFFAOYSA-N 436.533 4.750 30 10 IJEE COc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)c1 586258654 CLMOLSXRVBVSSO-UHFFFAOYSA-N 436.533 4.750 30 10 IJEE Cc1cc(C)n(-c2ccc(CNC(=O)NCc3ccc(C#N)cc3F)c(C(F)(F)F)c2)n1 609240289 ZQZRDHLZWYAIEQ-UHFFFAOYSA-N 445.420 4.518 30 10 IJEE COc1cc([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)cc(Br)c1O 698825280 OGOJKUKXJGBGOW-LLVKDONJSA-N 439.228 4.527 30 10 IJEE C#CCCC[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710415294 KSFMOVLZCJLVNR-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(OC)c2)SC1=Nc1ccc(C)c(Cl)c1 725416947 WHGKEOMJJPDXEJ-GOSISDBHSA-N 431.945 4.637 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 733198325 VICLIAKRBLOWHE-QFIPXVFZSA-N 445.519 4.963 30 10 IJEE N#Cc1ccc(-c2cccc(CNc3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])c2)s1 739889625 BYOXGCRUDHNGIH-UHFFFAOYSA-N 449.460 4.803 30 10 IJEE FC(F)(F)c1cc(NN=C(C[C@@H]2CCOC2)c2ccccc2)nc(-c2ccccn2)n1 753931428 GKSCKVGBZLCCEY-HNNXBMFYSA-N 427.430 4.800 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 761711686 IPACEMFQOOIKED-STZFKDTASA-N 447.888 4.892 30 10 IJEE O=C(Nc1cccc(F)n1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769248441 SYDDJRXKTQHPQR-CYBMUJFWSA-N 437.315 4.864 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 780672834 KBDQAZYVFWWKGS-APWZRJJASA-N 439.516 4.583 30 10 IJEE C=CC[C@@]1(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)CCCN1C(=O)OC(C)(C)C 790250792 SNMALORMZRENPV-VWLOTQADSA-N 436.556 4.524 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 802585370 ANZUEZAFWXNSLH-VQTJNVASSA-N 429.609 4.738 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 809926987 YJMVMCFMILJJIA-NYUBLWNDSA-N 433.383 4.729 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1)c1ccc(Cl)cc1 810470376 FQIOYHHCWAWTFD-GOSISDBHSA-N 441.965 4.685 30 10 IJEE C=C(Br)CNC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 921113549 OCGJDQXLYDDICQ-UHFFFAOYSA-N 442.235 4.988 30 10 IJEE COc1cccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccc4ccccc4c3)n2)c1 1083965243 IQQAGMBIGRQZNV-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(Cl)c(I)cc2OC)c(Cl)c1 1134652159 COXOMPLAEGRXJQ-UHFFFAOYSA-N 446.071 4.840 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 1135901584 OPKYQGDKSXRDHD-JSGCOSHPSA-N 442.894 4.645 30 10 IJEE C=CC[C@H]1N(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCCC1(C)C 1139511467 OUFQUWPFLWFTNQ-FGZHOGPDSA-N 443.632 4.605 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(CCc3ccccc3C)[nH]n2)CCCN1C(=O)OC(C)(C)C 1144119447 GDPASYIATXZQFU-RUZDIDTESA-N 438.572 4.788 30 10 IJEE C=C(C)CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1cnn(C(C)C)c1 1170204567 DGHDXWASYXGDPB-UHFFFAOYSA-N 445.539 4.883 30 10 IJEE C#CCC1(O)CCN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1 1175853531 DWCGKPZIXUOXFX-UHFFFAOYSA-N 449.348 4.655 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3ccccc3Br)CCCCC2)c(F)c1 1190327689 DFJHUIHRIFEMCJ-UHFFFAOYSA-N 437.334 4.598 30 10 IJEE Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OCC(F)(F)F)c1 1230144004 IDFQSMZRABBQOO-VQTJNVASSA-N 431.458 4.918 30 10 IJEE N#Cc1ccc(OCC(=O)NC2(Cc3ccc(Cl)cc3)CCC2)cc1Br 1274373032 CFPAYNAJBMABBU-UHFFFAOYSA-N 433.733 4.635 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@](C)(OC)C1 1286318732 YIHOOJLUFQTUKW-AREMUKBSSA-N 448.567 4.926 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCCCC2)nc1 1286523526 YBJZKYMZSMWMMZ-AREMUKBSSA-N 434.632 4.683 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286629808 IMUVUJSSCJYQJB-QGZVFWFLSA-N 431.968 4.909 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ncc(CC)s2)CC1 1286637480 FWMCPHVWGPJRGY-INIZCTEOSA-N 427.549 4.781 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(N2CCCCC2)nc1 1286728587 CEDLSLUNFUREFR-UHFFFAOYSA-N 446.599 4.530 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC(F)(F)C1 1286741161 HMHNUYNLXVGAEA-VQTJNVASSA-N 427.499 4.629 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@@H]1COCCO1 1286753742 HOQOFWRJUGHBNS-MRXNPFEDSA-N 444.988 4.797 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)cc1 1290545995 NQSQUXPQRDLRCT-OAQYLSRUSA-N 444.938 4.952 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 1297451865 QSTFFSYNOSUUBH-QGZVFWFLSA-N 432.952 4.970 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1300440946 BWPLSEJWKWFTJH-LJQANCHMSA-N 443.389 4.659 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300767991 ISOCASNRCYZIFY-JOCHJYFZSA-N 440.657 4.604 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCC(C)C 1300893005 XLKYCNITNZPGHP-URXFXBBRSA-N 426.605 4.937 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1301057293 UFYTYLLJTFFNSM-OAHLLOKOSA-N 441.269 4.783 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC(C)C)nc2)CC1 1301092212 SNIJHGHBTSNHAJ-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 1301235128 WBOUIJHOOHTJTF-UHFFFAOYSA-N 449.020 4.576 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CCC(C(F)(F)F)CC1)C1CC1 1301313224 ZQVIMDSJSFIRMB-UHFFFAOYSA-N 441.542 4.720 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1snnc1C)C1CC1 1301331015 BLVDGGTZNOZUAM-UHFFFAOYSA-N 433.006 4.587 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)Cc1cccs1 1301340676 BLGXJFFEQFWTRD-FQEVSTJZSA-N 449.624 4.647 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCCCC1 1301349438 LVSFFNKHFMCDSV-RUZDIDTESA-N 442.579 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCC[C@H](C)C1 1301362052 ACHIETBQTSTNRS-VQTJNVASSA-N 443.661 4.547 30 10 IJEE C#CCN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655980 NCYKAKBVKKMVQO-MRXNPFEDSA-N 438.490 4.670 30 10 IJEE CC1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C1 1303957253 DZBIPMPCIGZRMW-UHFFFAOYSA-N 436.947 4.571 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C 1304731011 GUMNLZVBNCBJFU-RUZDIDTESA-N 431.588 4.557 30 10 IJEE C[C@H]1CCC[C@@](Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)(N(C)C)C1 1304982375 AGMYRXZSARHEJY-WXVAWEFUSA-N 448.659 4.704 30 10 IJEE CCC(CC)(CNCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 1308361945 GTDIDIDTAFCNLV-UHFFFAOYSA-N 432.568 4.824 30 10 IJEE C=CCOc1cccc(CN[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)c1 1308364314 VBJUCCHVMJTHAY-OAQYLSRUSA-N 429.358 4.608 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc(OC)c1OC 1310535603 HIJNNBUOEQRDCY-UHFFFAOYSA-N 449.555 4.632 30 10 IJEE C=CCC1(CNC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)CCCC1 1312688045 ATSBLFJICHGAJG-PZJWPPBQSA-N 445.579 4.964 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1312936240 HJEHKUUDZZTACB-MOPGFXCFSA-N 435.749 4.806 30 10 IJEE C=CC[C@@]1(C(=O)NCCCO[C@H]2CCCc3ccccc32)CCCN1C(=O)OC(C)(C)C 1353692636 GZEQITITDFDCLA-NVQXNPDNSA-N 442.600 4.933 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)C2)c(F)c1 1358061510 GGVVISINWUSAAW-GBXCKJPGSA-N 449.476 4.902 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccccc2C)c1 1358208988 WBCRXPGXCTYIDG-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1c(C)noc1C 1358871972 MRDCSKUTPNDOEI-FIKGOQFSSA-N 435.572 4.901 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)c1ccccc1 1358878190 SHRNKYOAQTWPMN-MOPGFXCFSA-N 433.625 4.726 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C1CCCC1 1358899535 PDBSQZYDFLOXRP-QGZVFWFLSA-N 432.037 4.556 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(OCc2ccccc2F)CC1 1358912200 KYNWJKNUCVEZCN-HSZRJFAPSA-N 440.563 4.648 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N(C)Cc1ccc(Cl)s1 1358934478 CKVPSQJQXCDALL-UHFFFAOYSA-N 430.961 4.630 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1cccs1)N1CCCC1 1358943079 VADDCVCRRZISIP-IBGZPJMESA-N 443.979 4.706 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(c2ccccn2)CCC1 1359002490 BEVMCUWALDKZHO-UHFFFAOYSA-N 437.494 4.523 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 1359128376 RXMJVUGSHKMTPQ-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1359149451 AJMRQPOLHYYADU-UHFFFAOYSA-N 449.068 4.764 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNc2ccccn2)CC1 1359160770 CYSNODZZMIHKMX-UHFFFAOYSA-N 440.498 4.600 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359181203 JOEQNNRXWFRPRL-HSZRJFAPSA-N 437.632 4.688 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1359195421 MBGFNCGQEZTWMD-HXUWFJFHSA-N 435.538 4.521 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCOC1 1359224700 ZQYGSRXPUQKJJP-MRXNPFEDSA-N 439.387 4.707 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCC1CCC(OC)CC1 1359255606 FATFXTOLSKKXCK-UHFFFAOYSA-N 444.583 4.933 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359337465 SXHOFCJJCHNKJE-JAXLGGSGSA-N 427.662 4.658 30 10 IJEE C#CCN(C(=O)c1cnn(CCC(C)C)c1C)[C@H]1CCOc2ccc(Br)cc21 1360310209 CERVLSQGNFFOKT-FQEVSTJZSA-N 444.373 4.599 30 10 IJEE C=CCCCCCN(C)C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1360624491 MBRKIQXZZKIQHL-UHFFFAOYSA-N 445.283 4.867 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)COc3ccc(C#N)cc3)c2C(=O)OC(C)(C)C)C1 1436200842 DXSISVRWOLJGIF-AWEZNQCLSA-N 426.538 4.717 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(OC)ccc(OC)c2s1 1455070010 DRQMYEUVFGDHRW-ZDUSSCGKSA-N 435.546 4.502 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c1 1456314741 NFESTYVUKYHJBG-XUZZJYLKSA-N 430.529 4.801 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H]2COC(=O)NC2CCCCC2)cc1OC 1462218153 LMNLWGVZJOLXPT-IBGZPJMESA-N 436.980 4.937 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)cc21 1463118491 BNHRGCZPLSXMHF-SYZXBLONSA-N 448.954 4.909 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)[C@H](C#N)C1 1466735851 FIMGNKDIGKBJEA-GDBMZVCRSA-N 431.945 4.557 30 10 IJEE C=CCN(C(=O)c1cccc(Oc2ccncc2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1466893915 LUBJHBCVBUGOKP-XMMPIXPASA-N 430.504 4.677 30 10 IJEE N#Cc1ccc(OCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc1Br 1467260548 DHWDSCQXCLNUCN-TUNNFDKTSA-N 439.353 4.884 30 10 IJEE C#CCOCCNC(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 1469533867 RLQSLLHJIUEOGY-UHFFFAOYSA-N 425.287 4.716 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21)c1ccc(Cl)cc1F 1470664853 AEHUWYBWILDYSP-DSLXNQLJSA-N 433.708 4.553 30 10 IJEE O=C(NCC(F)(F)c1cc(F)cc(F)c1)c1cc2ccc(C(F)(F)F)cc2nc1O 1471633022 SCFFRECIHIAIHQ-UHFFFAOYSA-N 432.295 4.759 30 10 IJEE C=C(C)Cn1c(Sc2ncnc3cc(Br)sc23)nnc1-c1ccncc1 1472723631 KOLRIJRAIVEHSC-UHFFFAOYSA-N 445.371 4.835 30 10 IJEE Cc1oc(NC(=O)[C@@H](C)N2CCc3c(Cl)ccc(Br)c3C2)c(C#N)c1C 1473844551 HLZUJTMUDSCVSV-LLVKDONJSA-N 436.737 4.569 30 10 IJEE Oc1nc2ccccc2cc1CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1473848698 QTSDAACOEFKKKR-TXEJJXNPSA-N 426.307 4.543 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 1476729711 YUEOXVMRXKEEEB-IBGZPJMESA-N 444.373 4.800 30 10 IJEE Cc1cc(NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)ncc1C#N 1476943605 GKVKCOLWHQDMRW-UHFFFAOYSA-N 425.536 4.846 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C(C)C)N2CCCC2)cc1 1492435871 BZGKQOHUXQHPEH-RBBKRZOGSA-N 440.661 4.738 30 10 IJEE COC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1503906331 GYBSDYDIOCEIPT-MWTRTKDXSA-N 427.618 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC=CCC1 1507524868 WTHPPTYGUFMHQB-JKSUJKDBSA-N 429.362 4.530 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC=C(Br)C1 1507581705 YHSITHMYMUKPOR-UHFFFAOYSA-N 435.753 4.509 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CCC=C(C)C 1507661651 CVDGSHIMXCANIV-UHFFFAOYSA-N 429.337 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C)CC1 1507763276 SXYPNQVJXNZJPM-OAQYLSRUSA-N 429.362 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(Cl)c1 1507803576 HSWXNYISYREJCT-OFNKIYASSA-N 437.975 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C(N)=O)CCCC1 1507813950 GFFARICAJXSHSF-QGZVFWFLSA-N 441.645 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H](c1ccccc1Cl)N(C)C 1507826243 KEQASOYANIAXEE-JOCHJYFZSA-N 439.007 4.623 30 10 IJEE C=C(C)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@]1(OC(C)C)CCOC1 1507836405 JTJNBGPOSUAPQP-MONBJTKQSA-N 448.995 4.736 30 10 IJEE C=CCCCCn1c(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nnc1C(C)(C)C 1507936595 DKHOJFYZMYEPSA-UHFFFAOYSA-N 445.011 4.835 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1507939895 UQVGTPMQKXIORL-HXUWFJFHSA-N 437.975 4.931 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccsc1 1507999021 KUSLGLGWZPCXHB-VWLOTQADSA-N 449.624 4.900 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1508007940 IPFMSZXAAIHMRE-FQEVSTJZSA-N 436.579 4.973 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCC(C)(C)C)C1 1508118816 TYZLXXVPASQRAC-LJQANCHMSA-N 428.577 4.570 30 10 IJEE COC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CC#N)CC2)CCCC1 1517932692 GXBAEJBYSVUBFK-UHFFFAOYSA-N 427.980 4.612 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccccc1 1530132851 FLDQGGHEZGGLSD-HXUWFJFHSA-N 430.485 4.652 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 1530343601 CPJDRZCORCTLEL-RUZDIDTESA-N 445.950 4.646 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)CCCN1C(=O)OC(C)(C)C 1536383932 MWNVDAJTRXDPQP-QFIPXVFZSA-N 447.557 4.598 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@H](Cc1ccccc1)C(=O)OCC 1537317064 KVPAYUWEDMQJLG-GHTZIAJQSA-N 429.944 4.605 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCSC[C@@H]2C(F)(F)F)s1 1537701157 XBIUEEBIGXKMLR-GFCCVEGCSA-N 430.970 4.735 30 10 IJEE COC(=O)c1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c2ncccc2c1 1538322115 DLPCNNDTAHKZQT-UHFFFAOYSA-N 437.455 4.724 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(Br)cc(I)c1C 1538891862 NXOSEVZNDJRYAG-CYBMUJFWSA-N 448.142 4.933 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539052659 HWTBFMTWCAYNCP-ZDXQCDESSA-N 436.600 4.844 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC[C@H]1C[C@H](F)C1 1539351167 NQPIDEKJAQJXAN-CTYIDZIISA-N 439.760 4.959 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN(C(C)C)C(C)C)CC1 1539828091 DYSDSWMRBZRDRD-FQEVSTJZSA-N 429.584 4.832 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1539849622 YWKIZNPRUHNYPV-LJQANCHMSA-N 426.605 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCCN(CCC)C(=O)C1 1539910980 RYUSNKVPQDCBNE-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1539954488 ZQKCQDBIGKWNRZ-UHFFFAOYSA-N 442.007 4.936 30 10 IJEE Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1540141859 BNPJGONRGCMQMQ-UHFFFAOYSA-N 428.970 4.668 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1OC 1540992736 YHWRANSBWCZLMY-ZISLFAKRSA-N 434.580 4.822 30 10 IJEE C=CC[C@]1(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1544158532 NAEKGARAFUHCHB-HXUWFJFHSA-N 428.907 4.894 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1564182064 LYTASOHBJKYXKM-IRLDBZIGSA-N 447.000 4.973 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1564868502 FYHXCLGJAWYHLB-VWLOTQADSA-N 439.515 4.792 30 10 IJEE Cc1cc2c(NC(=O)CCOc3ccc(Cl)cc3Br)n[nH]c2cc1C#N 1583605250 ALYZNWVCAWZOLI-UHFFFAOYSA-N 433.693 4.567 30 10 IJEE C=C[C@H](CC(=O)NCc1ccc(I)cc1Cl)c1ccccc1 1585818221 WWVHSOYOFVPBSK-CYBMUJFWSA-N 425.697 4.921 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1(COC)CCCCC1 1588180485 GVHLUXLVCQHEJX-DEOSSOPVSA-N 432.612 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1c(C)noc1C 1588272395 YSMCHTQUBYVROY-UHFFFAOYSA-N 446.580 4.684 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCOC(F)(F)F 1588550828 ZAIFKGZOVAIBBQ-UHFFFAOYSA-N 426.458 4.572 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nnc(CC)s2)CC1 1594014578 SWVDLPODSFXKJD-OAHLLOKOSA-N 444.992 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1594077178 IFTIMTAAYUZPTJ-UHFFFAOYSA-N 437.588 4.809 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1594477315 AAVCPVJHVOZKAI-UHFFFAOYSA-N 445.611 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1594492044 RKJXUIJGUIARGN-UHFFFAOYSA-N 441.645 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1594492232 VVJXPNADOJITLT-UHFFFAOYSA-N 440.588 4.823 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1594497586 JKUPNAFAVSTLHN-RTBURBONSA-N 442.608 4.665 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](CNC(C)=O)C1 1594697470 CJFKVHAWZMFFPC-MRXNPFEDSA-N 436.387 4.571 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCc1cnn(C)c1 1594856438 GCGKFBBAFSVVOW-SFHVURJKSA-N 442.995 4.677 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1scnc1C)C1CC1 1595020800 OASIUKMZLXDKJQ-INIZCTEOSA-N 427.549 4.720 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(F)F)c(F)c1)C1CC1 1595038518 XTCDOGDXJAZTFY-UHFFFAOYSA-N 449.864 4.937 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H]2CCC[C@@H](C)C2)cc1 1595639639 FSKWQQCEDRIGGY-XXBNENTESA-N 448.615 4.768 30 10 IJEE O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N1CC(F)(F)OC(F)(F)C1 1596704321 BHCRPWUPMLHGBP-UHFFFAOYSA-N 429.313 4.972 30 10 IJEE CCC(CC)(CNC(=O)c1occc1COc1cccc(C#N)c1)C(=O)OC(C)(C)C 1598270574 BUGOCQOPTJDGCN-UHFFFAOYSA-N 426.513 4.608 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1606951510 FTHMRLDZORIAEA-IBGZPJMESA-N 432.613 4.567 30 10 IJEE C#CCCCS(=O)(=O)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1622070008 IWGOZOWNMUEFKQ-OAQYLSRUSA-N 439.499 4.891 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 1623033623 HJMFETNRSCPEBZ-UHFFFAOYSA-N 429.561 4.943 30 10 IJEE CC#CC[C@H](CO)NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1624786464 BINIEXIDVFARTO-MRXNPFEDSA-N 437.487 4.526 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(C(F)(F)F)c(O)n3)c2)cc1 1625996968 RBQLNNGNFZOZGX-UHFFFAOYSA-N 427.382 4.703 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC[C@@H](c4ccc(Cl)cc4)C3)ccc2c1=O 1626505115 IKCIQPHGPSLGEP-QAPCUYQASA-N 439.968 4.591 30 10 IJEE C#Cc1ccc(NC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)c(Cl)c1 1627814542 HYMXDUVRDQRVQC-UHFFFAOYSA-N 435.602 4.962 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CSC3CCCC3)c2)c1 1629510173 JDGFNBRKCCYGAK-UHFFFAOYSA-N 430.595 4.579 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CCCc3ccccc3)cc2)c1 1632084394 KYVZBUCMJSXMJY-UHFFFAOYSA-N 431.557 4.911 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(Cc3c(F)cccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1637867941 RNOANEQHWOGQJV-VWLOTQADSA-N 446.538 4.539 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccc(F)c(F)c1 1638962800 WCSHDKFLYOUYTK-HXUWFJFHSA-N 437.471 4.748 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1640186446 JZULBAITMHVXLJ-CQSZACIVSA-N 430.455 4.500 30 10 IJEE C=CCn1c(O)nnc1SCC(=O)Nc1nc(-c2ccc([C@@H](C)CC)cc2)cs1 1641003478 PHTYUJUWKGOAIB-ZDUSSCGKSA-N 429.571 4.538 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2c(Br)cc(C)cc2C1 1642799599 WWMMOFWDONYQEG-MRXNPFEDSA-N 433.415 4.780 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1 1645191518 FSWJRQIGIFWZBU-OAHLLOKOSA-N 435.874 4.746 30 10 IJEE C#C[C@@](C)(CC)N[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)c1ccccc1 1645750777 ORDXSPKUCBCKKI-OFVILXPXSA-N 438.593 4.875 30 10 IJEE C=CC[C@@H](Sc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)C(=O)OC 1651532557 KTFQGSICFXDJSJ-QGZVFWFLSA-N 438.530 4.917 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2n1 1652527539 ASXLDGMNBSNPBM-QZTJIDSGSA-N 426.561 4.834 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C(=O)OC)cc1F 1656077188 UTYTYBJDXGIHLG-UHFFFAOYSA-N 447.919 4.915 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)cc1 1658659002 IAUFUCIQGGZSPS-AFARHQOCSA-N 433.552 4.919 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C(C)C 1659301361 KUOUHRWYCQOHRW-HXUWFJFHSA-N 435.494 4.711 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl 1666025296 AIGJPORAPGPGAT-UHFFFAOYSA-N 431.288 4.846 30 10 IJEE CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F 1666833788 CVZVJZWVYAOVGY-UHFFFAOYSA-N 431.329 4.564 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1671641997 BFOJBBCCZMJKEX-SFHVURJKSA-N 440.503 4.753 30 10 IJEE CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1676977431 FHRGMBAAZJIQBD-UHFFFAOYSA-N 428.208 4.883 30 10 IJEE C#C[C@H]1CCCN(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)C1 1680377222 NNJWWYSJWPOBSC-CABCVRRESA-N 432.387 4.997 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](OC)C(C)(C)C 1690003825 ZDKGKKBNNZUGNU-GOSISDBHSA-N 441.000 4.947 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCSC1 1690038404 OLOWRZJHHNFOMX-INIZCTEOSA-N 433.408 4.858 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C)=C(Br)C1 1690241115 OPUPUIXDDOJLDZ-LPHOPBHVSA-N 447.377 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1690243006 GIMMKIGXKNCIHU-MONBJTKQSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1690260483 MNPLJSULXBHVEO-SZPZYZBQSA-N 434.632 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1690422687 WTAFZUGCGCZHFK-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCc1nccs1)c1ccccc1 1690445374 WPRZUKJWHZUBHQ-LEWJYISDSA-N 437.613 4.667 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@](C)(CC)C1 1690476518 GBZNUSMTLLCHAQ-FQEVSTJZSA-N 437.357 4.818 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 1690752584 MDJICZVWJOCWCB-OALUTQOASA-N 449.665 4.896 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1cccnc1OC1CCCC1 1696688012 GFPZGSHSIIVDTB-UHFFFAOYSA-N 444.583 4.848 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1705508883 XTPCMQLTKRFGOU-YLJYHZDGSA-N 432.515 4.774 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@@H](F)C1 1705592775 TYTBSEZRFASPNO-LEWJYISDSA-N 446.526 4.718 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OCC)CCCC1 1705606911 KAEJXLQGFJQREN-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](F)C2)CC1 1705772802 ZZUGNHUZWNUZML-QYZOEREBSA-N 433.572 4.645 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1705851211 YGYQKXZIIKPPSI-OYRHEFFESA-N 432.616 4.730 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1 1705878089 UCNXUIMPRKLNGH-XMMPIXPASA-N 444.627 4.696 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1705887413 FRJIHSPLZOVILX-HOCLYGCPSA-N 445.386 4.922 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CC=CCC1 1705913867 ZVJKWXAOCIXVEY-OAQYLSRUSA-N 429.568 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2sccc2C)C1 1705928603 GIIRJLFUCMJAQZ-OAQYLSRUSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@H](SCC)C1 1705942062 GUPXRDSTUYELTK-FQEVSTJZSA-N 432.659 4.985 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1 1710112480 GACHCLWGVLPXSI-NRFANRHFSA-N 425.602 4.641 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)CCC(C)C 1722304501 YMRWSVMKVNKUBC-FQRUVTKNSA-N 440.632 4.800 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1cccs1 1722325010 CJJNJIOLLHXYNW-MRXNPFEDSA-N 444.402 4.863 30 10 IJEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722349744 ZFZKXNGPKKDTJF-DENIHFKCSA-N 431.584 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722398596 DNZSMWMOFAWPJS-LEWJYISDSA-N 428.502 4.820 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCCCCC1 1722404224 VLYSMXRRDUIFJJ-UHFFFAOYSA-N 445.405 4.561 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccco1 1722481044 VTCGZVJAVQQPFG-CQSZACIVSA-N 434.725 4.837 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N(CC)CC 1722493591 JZZYZEDXVDUBLC-HNAYVOBHSA-N 449.393 4.544 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)=C(C)C1 1722500595 CIJYYHHXGNCXCE-RCZVLFRGSA-N 436.600 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CCOc1cccc(C(F)(F)F)n1 1722514944 IATHTJWXZRTMBK-UHFFFAOYSA-N 437.510 4.906 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)(C)C)CC1 1722520201 XXHXOAZEBYPFRP-SFHVURJKSA-N 432.012 4.958 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCCC2)C1 1722623779 MGYCMBUZDUCFHH-UHFFFAOYSA-N 438.616 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722632555 YMUSRGZIRAZMJT-DENIHFKCSA-N 434.588 4.799 30 10 IJEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)CC1 1722998349 BQYUCNPBGXONBA-UHFFFAOYSA-N 442.558 4.563 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCCO[C@H]2C(C)C)o1 1724291873 GKLROGUJGRWFMJ-GGAORHGYSA-N 433.556 4.806 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)SC)C1 1729263865 CVFRDVPGNOFFLS-YVWKXTFCSA-N 445.658 4.591 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740574198 FDMWDEOLMJAVAX-PCCBWWKXSA-N 443.636 4.678 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCCN1CCCC[C@H]1C 1740676966 OFJDQPKIOGPCKM-OAQYLSRUSA-N 437.607 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCCCn1ccnc1C 1740725361 KWHGIDHNMHCKFJ-ZEQKJWHPSA-N 430.600 4.797 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(C(C)C)n1 1740728013 IXYVGHMCUSODAF-JOCHJYFZSA-N 441.004 4.808 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1740730411 ZNCWOODLTMQLER-KBMIEXCESA-N 437.588 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1Cc1ccc(Cl)s1 1740734603 KEXIDVRIRFPMAE-JOCHJYFZSA-N 426.973 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1c(C)coc1C 1740764577 HMWFUMKKNNQPHU-UHFFFAOYSA-N 441.963 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1740846278 UBOBOEYQYGDROY-PXNSSMCTSA-N 425.602 4.914 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1740855095 LIAXOJDPXBGOFS-ZCYQVOJMSA-N 445.611 4.877 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1740859702 PYDHXYKLJLITNJ-UHFFFAOYSA-N 444.583 4.860 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@](C)(O)c1cc(C)oc1C 1740921400 STRSKRBCCKSZMN-VWLOTQADSA-N 438.547 4.995 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1740949147 JOLCNJOEINGDHO-QHCPKHFHSA-N 437.632 4.608 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(Cc2ccco2)C(C)C)cc1 1740965899 GFSPPYPYQHMIEH-NRFANRHFSA-N 436.556 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1COC 1748651993 VMIGWQRHEADSPH-MSOLQXFVSA-N 434.609 4.784 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1748907168 GTRFFYPUNJGRND-BZSNNMDCSA-N 430.980 4.735 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Cc1ccc(OC)cc1 1748938908 IPVYGHWAXPMDTD-UEVCKROQSA-N 438.616 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1749122550 XLCKLYQADGQCLQ-YTXYEVPYSA-N 433.021 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(F)cc1 1749147807 QSXIHBNUSALGDC-UHFFFAOYSA-N 446.368 4.830 30 10 IJEE C=Cc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 1749322387 GNTCLXYFBYMONW-DNRQZRRGSA-N 437.563 4.524 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCSC(F)(F)F)CC1 1749347109 JPZWOLMSGKXQQF-UHFFFAOYSA-N 442.507 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1749360036 RVPZITCYXACCQI-IBGZPJMESA-N 447.505 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1749364533 UGZHFOQRVMLZHQ-OALUTQOASA-N 448.615 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1749377073 KSBOMENMIZRGPA-AIFLQVKLSA-N 430.637 4.936 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1749430902 UNEJEBFVZJTBHA-SFHVURJKSA-N 429.977 4.523 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(Cc2ccccc2)CC1 1749467605 UUYJJENLOYESQO-UHFFFAOYSA-N 440.389 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CCCO1 1749553722 UNIFWBFSGJFCME-QHCPKHFHSA-N 442.560 4.819 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749764111 RKMPRBFFSFFVEK-GOSISDBHSA-N 448.608 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@H]1CCCCN1CCCC 1760296511 UKOQDUQWRLVMNB-SHQCIBLASA-N 433.644 4.824 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCOC 1760315944 KOZUIUDMFJPUHW-DNVCBOLYSA-N 447.004 4.877 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760375037 CZMCCOBWPOSXHX-IYBDPMFKSA-N 438.016 4.627 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1760385215 MQZRVDWNKYHEBX-IEBWSBKVSA-N 445.405 4.724 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCn2cccn2)CC1 1760392158 GSAADZZYVRJNLK-UHFFFAOYSA-N 434.588 4.732 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OCCC)CC1 1760436306 OQIRJVOCPDSWRS-HSZRJFAPSA-N 434.588 4.883 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](OC)C1 1760447230 JZEKDPDRPJCLSG-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1760447540 MCGJNELTBYQXDV-UHFFFAOYSA-N 448.995 4.594 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760450535 MXTNYQMVDQDDMA-JOCHJYFZSA-N 429.653 4.621 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nc(C)c(C)s1 1765533143 DWJMLNCNIKIHSG-INIZCTEOSA-N 438.601 4.670 30 10 IJEE CCCOc1ccc(/C=C2\SC(=Nc3ccc(C(=O)O)c(O)c3)N(CC)C2=O)cc1 1772763321 ZETCOPDLOSAYOU-OCFWRVAFSA-N 426.494 4.503 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1Cl 1861014783 JQNIKTQSPTXWIC-QFIPXVFZSA-N 430.976 4.863 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1c(Cl)cccc1Cl)c1ccccc1Cl 1862443200 JUERFTMKVWMEFB-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 1862449520 MZZZQWMXDKHKQK-JLTOFOAXSA-N 427.928 4.597 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862482365 PCGGELDUVWGMNR-OAQYLSRUSA-N 436.464 4.520 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc(Br)ccc1F 1862567416 RURZNCHOIBQLRW-VOJFVSQTSA-N 447.304 4.547 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(Cl)c2)cc1 1862591834 PGQXUAYNYBTQTH-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(O)c2)cc1 1862613859 REZOPCCUOALBEJ-QHCPKHFHSA-N 442.515 4.863 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 1862620808 BGBCVEMKCUOVHB-DEOSSOPVSA-N 441.483 4.545 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(F)c1 1862627800 QEXUPRCVNNRRKC-JVJLVOBOSA-N 437.467 4.711 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OCC)c(OC)c1 1862669769 DXDDUBFGQSXYPW-QHCPKHFHSA-N 435.520 4.982 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1862678682 ULKRNZBDVALYQA-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1OC 1862716856 PQJJHBXYEANKTP-HSZRJFAPSA-N 431.488 4.844 30 10 IJEE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866780567 FWCOEIQGJDATQF-XZOQPEGZSA-N 429.495 4.753 30 10 IJEE COc1ccc(Cl)cc1C(=O)N[C@@H](C(=O)N[C@H](C#N)c1ccc(C)cc1)c1ccccc1 1867609693 MXLNRYYWLSNPMC-FYYLOGMGSA-N 447.922 4.509 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868401036 MPDGRRCZVDGSRG-SFHVURJKSA-N 432.597 4.989 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C)[C@@H](c3ccccc3)C2)nc(Cc2ccccc2)n1 1869077264 FQGDNRIUNOVIPF-RUZDIDTESA-N 439.607 4.739 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2cccc(C)c2)n(-c2ccc(C)cc2)n1 1870000996 JPQSRXGAHFRKBI-UHFFFAOYSA-N 445.567 4.860 30 10 IJEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870108782 XXECOXFWUGQUKK-QFIPXVFZSA-N 441.922 4.816 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cccc(C(F)(F)F)c2)cc1 1870143400 KLQZJKGTGDJVQZ-DHZHZOJOSA-N 425.414 4.933 30 10 IJEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCC[C@@H](CO)C1 1871398883 UTXBNGFMMWJFST-RWTUPJDWSA-N 441.527 4.880 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871415984 FKEXGFSJHHCVPE-UCQKPKSFSA-N 430.456 4.985 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 1872141478 BQQKTELUIIUYEH-FQEVSTJZSA-N 449.576 4.943 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872456576 KBACSCMDXKOGKG-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCCN(CC)CC)ncnc21 1873624462 AHIKFTJEJYCDDH-UHFFFAOYSA-N 440.979 4.585 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCCCn3ccnc3)ncnc21 1873640493 WGOGSBWBRUAHSM-UHFFFAOYSA-N 443.555 4.692 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666605 QRDLSAMPADGMAE-IAGOWNOFSA-N 428.540 4.833 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874235770 ZNWWJKGCPSBUQK-MFKUBSTISA-N 433.537 4.758 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCc2ccc(OC)cc2)nnc1SCC=C 1874307481 ZIEBGUQOUJWEOK-XIEYBQDHSA-N 434.565 4.797 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874320415 QAWYIMMMNQCVSQ-WYMPLXKRSA-N 436.537 4.723 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCO)cc1OC 1874441485 ZEVOHGIHEJJYQW-JJIBRWJFSA-N 448.633 4.801 30 10 IJEE COc1ccccc1/C=N/n1c(CC(C)C)nnc1SCc1ccc([N+](=O)[O-])cc1 1874489405 PXKSJXQATJUWHU-LPYMAVHISA-N 425.514 4.568 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1c[nH]c2ccccc12 1874505420 WSAOAZRISJDOHU-VULFUBBASA-N 446.580 4.942 30 10 IJEE CCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2c(C)cccc2C)cc1 1874537351 ZLYVTMSTZHXHBW-AFUMVMLFSA-N 437.569 4.687 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2cccc(OC)c2)cccc1OC 1874572581 VKTNAVJDPXXNGJ-BUHFOSPRSA-N 425.525 4.627 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874693023 JULHCQCOGUYSMC-PKNBQFBNSA-N 448.387 4.627 30 10 IJEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 1875087934 JEJGJYXRWWMKQT-CSKARUKUSA-N 432.388 4.927 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)c1ccccc1 1875147097 PHSLFNLRYKDGHJ-CSKARUKUSA-N 446.455 4.590 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(N(C)C)CC1)n2C 1875196867 FBXGBOLPVKCCMQ-UHFFFAOYSA-N 442.652 4.687 30 10 IJEE C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc4ncc(-c5cccnc5)cc4cc3C2)c1 1890760281 KSNLJPJSWKXXFG-BXKMTCNYSA-N 433.515 4.606 30 10 IJEE CCc1csc(C#C[C@@H](CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)NC)n1 1900918745 LXNZPWMXLNPPNU-OAQYLSRUSA-N 427.614 4.863 30 10 IJEE CC1(C)C[C@@H]([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1912178542 NKYBLFGCTNAWNP-HOTGVXAUSA-N 436.557 4.852 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccc(Br)c(Cl)c3)cc2)OC1(C)C 1912671382 ZMILQVZNCUSWLF-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)c1ccc(Br)cc1F 1922075251 VFHZNMPNHOQVAA-YADHBBJMSA-N 436.365 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1cc(Br)c(Cl)s1 1922087026 VQDGKLUUAGLRGN-SJORKVTESA-N 430.795 4.949 30 10 IJEE CC(C)[C@@H]1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1937129515 FNRALHSFONIBQV-GHTZIAJQSA-N 425.495 4.979 30 10 IJEE CC1(C)OB(c2cc(NC(=O)CCCOCc3ccccc3)ccc2Cl)OC1(C)C 1997699993 YWULRVHKKJSKOA-UHFFFAOYSA-N 429.753 4.575 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Cl 2010543838 OYUJJYPSCMEEAO-FOIQADDNSA-N 443.931 4.649 30 10 IJEE C#CC[C@H](C)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2020075704 SPROISFFJCSQGO-GMAHTHKFSA-N 427.633 4.574 30 10 IJEE C#CC[C@H](C)C[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2020078037 JVKOEPWAERHAAU-KJOQGJGQSA-N 427.633 4.574 30 10 IJEE CCCCCC#CC[C@H](NCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2024371342 SVPXGHQEWFPKJM-ZEQRLZLVSA-N 429.649 4.964 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1occc1B1OC(C)(C)C(C)(C)O1 2039819618 UCYHKHBCQRGKJX-UHFFFAOYSA-N 428.338 4.846 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2076117207 ANQWHASJCSAYPE-XLGIIRLISA-N 446.632 4.524 30 10 IJEE Cc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(O)c1 2078999892 XGNXTERGZGFZPB-QGZVFWFLSA-N 435.309 4.886 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(/C=N/O)c2I)cc1 2079014259 YMCUDWGAZVRQRV-PGNNWUFWSA-N 435.309 4.871 30 10 IJEE CCOP(=O)(OCC)c1cn(Cc2ccc(F)cc2C(F)(F)F)nc1C(F)(F)F 2080386664 NHNDCALSSREDPH-UHFFFAOYSA-N 448.275 5.000 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CNc1ccc(C#N)c(Br)c1F)C(F)(F)F 2105977555 CBMZPUBGUOUCLI-JTQLQIEISA-N 440.235 4.575 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2118192644 RFEVTOWWUCTYSV-BLLLJJGKSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)C(C)(C)C1 2118194230 JMERKRKTUYUQEY-CYBMUJFWSA-N 426.330 4.732 30 10 IJEE C[C@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2118201431 QAEJMBVMOROOAR-QWHCGFSZSA-N 426.330 4.542 30 10 IJEE C[C@@H](c1cc(Br)cs1)N(C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2130036827 ICNVSPFOPUCPBV-GXTWGEPZSA-N 444.395 4.617 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 2145541420 MMTHSFMWESOINK-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)c(C#N)cc2F)C2(CCCC2)C1 2174809498 AKURACLPXZMYRU-CQSZACIVSA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)cc(C#N)c2)CC[C@H]1C(F)(F)F 2174812534 MBDDVPAISMRGNZ-CABCVRRESA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(C1)CN(c1ccc(Br)cc1C#N)C3 2174814847 MLDPVPWCTWWKAY-OYRHEFFESA-N 432.362 4.548 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)N(c2cc(Br)ccc2C#N)CCN1C(=O)OC(C)(C)C 2174816317 CFFDVYPTIYYRLD-ABAIWWIYSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(Br)c1 2181108877 XZZZWHZDGNIHSK-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1Br)c1ccccc1 2181136509 VZTRXWDZODWAED-QGZVFWFLSA-N 430.302 4.525 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2185921289 ZUNMBSCRXASPHB-HNNXBMFYSA-N 438.341 4.686 30 10 IJEE C=C(Cl)[C@@H](O)Cc1sc(Br)c(Br)c1Br 2209978289 XEHKRAZHEJPEEU-BYPYZUCNSA-N 425.367 4.692 30 10 IJEE Cc1ccc(C#C[C@@H](O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2231161232 IGBTUGXMCMWGSF-RUZDIDTESA-N 448.607 4.657 30 10 IJEE Cc1ccc(C(=O)[C@@H](C#N)c2cccc(Br)c2)cc1I 2232422800 FPVXJLWOSHPPLL-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@@H](N)C#Cc2ccccc2Br)c1 2235726792 YLJQAJQBGYJUEJ-FQEVSTJZSA-N 429.358 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@@H](N)C#Cc2ccccc2Br)C1 2235746175 IHHWXILHVJDVSF-HKUYNNGSSA-N 433.390 4.555 30 10 IJEE C=C(C[C@@H](NCCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)OC 2237410169 NDCNCOHHOQASKR-MOPGFXCFSA-N 441.410 4.803 30 10 IJEE Sc1nc2cc(Br)c(Br)cc2n1CCC#CBr 2249997781 BBDTUEZCSGHOGQ-UHFFFAOYSA-N 438.970 4.596 30 10 IJEE C[C@@H](NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 2255817570 XOFWEIQERWNFAV-OAHLLOKOSA-N 430.354 4.837 30 10 IJEE N#Cc1cccc(Br)c1N[C@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2257513270 QWNNQJRDHRBFJJ-IBGZPJMESA-N 440.341 4.924 30 10 IJEE C=C(Cl)C[C@H](NCCC)[C@@](C)(O)c1cc(Br)c(Br)s1 2266485291 DFYDXPOUDMRWCG-GXFFZTMASA-N 431.621 4.991 30 10 IJEE CC(C)(C)OC(=O)NCc1nc(CNc2cc(Br)c(C#N)cc2F)cs1 2271175614 DNXIFTHOTQYKPF-UHFFFAOYSA-N 441.326 4.553 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@@H](O)CC#CC1CCCC1 2289924186 HVMZNIVSOYAHCM-PMACEKPBSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296272960 MWENCAUEXMHTCA-PKOBYXMFSA-N 448.382 4.758 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296274197 SNXFMHKHIXGHFK-FRYIKTPZSA-N 434.374 4.730 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2296279565 QHOUXMYJDAKJPJ-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](N)C#Cc3ccc(Br)cc3)C[C@H]21 2296289400 RHEFSWSDKQCVMN-RAUXBKROSA-N 433.390 4.554 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@@H](N)C#Cc2ccc(Br)cc2)C1 2296301151 RIZXLENMXMJGBY-MOPGFXCFSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2ccc(Br)cc2)CCC2(CC2)CC1 2296304834 LXAPVFQOSLTMJD-SFHVURJKSA-N 433.390 4.746 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 2303929081 ABNHBLOSLBWSET-QRWLVFNGSA-N 447.498 4.858 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)OCC=Cc1ccccc1 2314006341 ZVMNEEGZRWYBKW-UHFFFAOYSA-N 434.565 4.733 30 10 IJEE CCCOc1ccc(C=NNc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1OC 2322624238 WRAQQMIAYXKZTB-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)c(OC)c1 2322691851 JBJFPZOHMDHJHU-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCCC(=O)Oc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2323917487 OSPCLPKMBQRNDX-UHFFFAOYSA-N 445.265 4.637 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2324035388 RYASIODORURZPR-UHFFFAOYSA-N 429.472 4.680 30 10 IJEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCC[C@@H](CO)C1 2324209723 RXMCZMBLPIDYNW-CQSZACIVSA-N 434.319 4.520 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCCCO)c(Br)c2)c(OCC)c1 2324494111 QGGYPQCDBPCBLF-UHFFFAOYSA-N 449.341 4.904 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(Br)cc1F 2325610361 PUVFPSQJHZYJFY-UHFFFAOYSA-N 445.057 4.711 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2ccc(OCC)cc2)nnc1SCC 2326660454 JUAYWPRYXGLOHB-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)cc1OC 2327942117 YNVZOWHJTPMCIO-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)cc1 2328577006 QWNMIPAJKLMSFN-UHFFFAOYSA-N 429.549 4.641 30 10 IJEE OCCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329859308 CQELBCGGJQQKHF-UHFFFAOYSA-N 439.343 4.672 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2F)nnc1-c1ccccc1 2330671153 CFIIIMHUNBVUHG-UHFFFAOYSA-N 432.480 4.957 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)c(OC)c1 2330894497 OJLBOXMZODSPQO-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE C=CCSc1nnc(C2CCCC2)n1N=Cc1cc(Br)c(O)c(OC)c1 2331081406 ZHQKMCCLGGDWHF-UHFFFAOYSA-N 437.363 4.573 30 10 IJEE COCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2331152819 YQIPPJYRAITMDY-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1 2331183288 ORTDQPLWUNKFFP-UHFFFAOYSA-N 432.505 4.808 30 10 IJEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c([N+](=O)[O-])c2)cc1 2331417909 ACGOPLWZCBUCMC-UHFFFAOYSA-N 431.448 4.798 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(N(C)C)cc2)cc1 2331500015 OOAAXHUYPSRWJA-UHFFFAOYSA-N 448.596 4.533 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)COC 2331624692 HKIRXEUAWIQXBK-UHFFFAOYSA-N 432.900 4.812 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332148539 VOCACJBRDTXDEO-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585899 WCZNXHRQPKLZBK-AWHXWDPHSA-N 443.397 4.974 30 10 IJEE CC1(C)OB(c2cc(N[C@H]3CC[C@H]3OCc3ccccc3)nc(C(F)(F)F)c2)OC1(C)C 2339597176 OQHFCPRFOQBPEM-ZWKOTPCHSA-N 448.294 4.559 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(COC)c1 2362301374 YBVMPUJHIICAEM-OALUTQOASA-N 439.394 4.553 30 10 IJEE C[C@@H]1CCC[C@@H]1N[C@@H](C#Cc1ccc(Br)cc1)CCNC(=O)OC(C)(C)C 2367594864 RFPBSYDUKREPRQ-UXPWSPDFSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(N)C#Cc1cccc(Br)c1 2380877138 YTBPEXXAGVVFRA-YVCBRDFCSA-N 433.390 4.602 30 10 IJEE CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C#N)c2)cc1Br 14041343 LASUWWXCGCDEBA-UHFFFAOYSA-N 432.343 4.626 30 10 IJEE CCCCSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 20850252 NKLWCOWSCQCHAU-SFHVURJKSA-N 427.530 4.737 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 21355810 XJIQGGGIXZQTBV-XMMPIXPASA-N 433.552 4.967 30 10 IJEE Cc1ccc([C@@H]2/C(=C(O)\C=C/c3ccccc3)C(=O)C(=O)N2c2cccc(C(=O)O)c2)cc1 102524423 NMIGIRWMBHLPAF-LQKNXAQTSA-N 439.467 4.876 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)c1 169954175 RJQLRTNBYTVMPJ-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c1 169964963 JLUNBBKKBPNMLK-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)cc1C 169982301 TVTCZZYBSNJTME-QFIPXVFZSA-N 448.544 4.914 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(C)o2)c(C)c1 170099802 VDBLMHHWVMRRJE-QHCPKHFHSA-N 446.503 4.754 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2)c1 170118164 RSMHOCWMHLLASX-VOIUYBSRSA-N 441.483 4.802 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)cc1OC 170139045 MKUTZWFHXOXFRE-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccs2)cc1 170160021 UNCCFXOJVDKOHQ-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccnc2)cc1 170186717 KMNALGPZJIRNGI-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1O 170271937 SZYGDYXZVZRCAJ-VOIUYBSRSA-N 441.483 4.807 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)o1 170307935 KUVUVVPHQSACMC-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1sccc1C 170312950 DJGGKLKPMOIYJI-OAHLLOKOSA-N 426.321 4.588 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2sccc2C)cc1C 170316682 FZKDSAJBEWLEBH-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1ccncc1 170317321 MXXSWZNVXPFYQM-OAQYLSRUSA-N 446.528 4.555 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 170446951 DPVCLMDNBSPSSB-IBGZPJMESA-N 435.549 4.878 30 10 IJEE FC(F)(F)c1ccccc1C=NNc1nncn1N=Cc1ccccc1C(F)(F)F 254872661 ROPPZJWHUVCTAO-UHFFFAOYSA-N 426.324 4.644 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 304112731 ZFMNGBUVJVJMKV-ROUUACIJSA-N 446.316 4.678 30 10 IJEE C=CCn1nnc(CSc2ccc(OC)cc2)c1CC(=O)Nc1cccc(Cl)c1C 334162561 PWZDKNMMVGMVHS-UHFFFAOYSA-N 442.972 4.908 30 10 IJEE C=CCN(C[C@H](Cc1cc(F)ccc1Br)NCCC)C(=O)OC(C)(C)C 406874599 XSNDYGAYPJWIAT-KRWDZBQOSA-N 429.374 4.922 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCCC 407416745 OFPHYTWRUJLBMN-IRXDYDNUSA-N 445.348 4.555 30 10 IJEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(CCc1ccccc1)Cc1ccc(C)s1 460797285 WMIFINXUEICKRG-JOCHJYFZSA-N 438.597 4.561 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](C)c1ccc(OCCOC)c(OC)c1)c1ccc(F)c(F)c1 476840485 FMQMJEXDJXYSGV-QRQCRPRQSA-N 434.483 4.676 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)CC1CCOCC1 508693903 AHEVCCSSOHHMFD-UHFFFAOYSA-N 436.531 4.712 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 508812582 LGTCTBCQAMQMSZ-HTAPYJJXSA-N 429.499 4.785 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cccc(COC2CCOCC2)c1 523500641 LTPKVSNLNYTSAD-UHFFFAOYSA-N 449.469 4.896 30 10 IJEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(F)c3)C2=O)cc1 526659881 FCZXYPKFCDOZGZ-UHFFFAOYSA-N 429.476 4.995 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 548848424 VXZOPVJGAZXMPK-UHFFFAOYSA-N 441.535 4.585 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 549686096 WNWDFKPBEMXFBZ-AOMKIAJQSA-N 446.473 4.651 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(Nc2cccc(C)c2)CC1 559004355 NCCZVYBOMJZFRE-XMMPIXPASA-N 429.568 4.920 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 559007303 KFBOIPSCNGQCRD-UHFFFAOYSA-N 446.477 4.790 30 10 IJEE CCOc1ccc([C@@H](O)C[C@H]2SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 606656189 DBOUZNQRYMHJIK-DLBZAZTESA-N 425.337 4.735 30 10 IJEE C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1occc1COc1cccc(C#N)c1 608804886 HAJCGZQNMIZMIA-HNNXBMFYSA-N 439.309 4.854 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(CN2CCC(C)CC2)c1 609084671 LQLLBGQQTOOBLO-UHFFFAOYSA-N 436.556 4.725 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(Br)c(C)c2F)c(C#N)c1C 619212740 JXDCCNFOQLBVLM-UHFFFAOYSA-N 425.279 4.567 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCC2(C1)OCCO2 712796059 ISEKCPWONSFBNO-IBGZPJMESA-N 437.334 4.770 30 10 IJEE CC(=O)N(c1nc(COC(=O)c2ccnc(C#N)c2)cs1)c1c(C)cc(C)cc1Cl 795977801 ZBNTUPWECKKQKV-UHFFFAOYSA-N 440.912 4.722 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 800784065 USAHPHDHTWOGPJ-QGZVFWFLSA-N 449.864 4.776 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 802600384 OBUKYDZAYFKWCV-MRXNPFEDSA-N 428.993 4.973 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(F)cc1 812755535 ZDIDGFGXQHIJJP-QFIPXVFZSA-N 426.447 4.857 30 10 IJEE C=CCSc1nc2ccc(NC(=O)CSc3n[nH]c(NN=CCCC)n3)cc2s1 1084303242 HEPQGAGLNONXNP-UHFFFAOYSA-N 447.615 4.621 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)Oc1ccccc1 1084363543 QGAWXUNFBWQCJJ-UHFFFAOYSA-N 445.504 4.741 30 10 IJEE C=CCc1cc(CNC(=O)[C@H]2CCc3cc(Br)ccc32)cc(OC)c1OC 1125544758 QMHRVGJYLXOFKM-IBGZPJMESA-N 430.342 4.541 30 10 IJEE N#C[C@@H]1CN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CCN1Cc1ccccc1 1126036160 BDUIYOGZIWMKLN-ILBGXUMGSA-N 445.563 4.896 30 10 IJEE C[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1128427923 VXPKWYACMLOMEW-WMLDXEAASA-N 438.366 4.604 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2cc(OC)ccc2Br)C(F)(F)F)cc1 1128865847 DQTGGPZJNJNKQJ-SFHVURJKSA-N 427.216 4.828 30 10 IJEE C#Cc1ccc([C@H](OC(=O)/C=C/c2ccc(I)o2)C(F)(F)F)cc1 1128866554 MNRBSGPCNGLHKR-DZZUKKPASA-N 446.162 4.726 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1130928684 GZALFAMFHQHHCW-UHFFFAOYSA-N 433.377 4.620 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 1136008232 RCVPJRHSAYVWSK-GOSISDBHSA-N 440.931 4.976 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1141966687 IFJLCSQEAUGBSY-HSZRJFAPSA-N 447.535 4.577 30 10 IJEE C#Cc1ccc(CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 1158503267 AJIJQZBHSKGARH-UHFFFAOYSA-N 429.907 4.566 30 10 IJEE N#Cc1ccc(NC(=O)CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1Cl 1169187198 DCJUXYFZJQQNLB-QFIPXVFZSA-N 447.901 4.670 30 10 IJEE C=CCn1c(SCc2c(Cl)cccc2C(=O)OC)nnc1-c1ccc(OC)cc1 1188122410 OCQBKGMOJFRKCB-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Nc3cc(C)c(C#N)cn3)C2)n1 1219692140 CDYWSXRFOFIYHC-INIZCTEOSA-N 433.537 4.805 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cnc(Br)c(C)c2)s1 1266567270 WZFCJVBISFXCNI-UHFFFAOYSA-N 432.796 4.943 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H](C)SCc1nc(O)c2ccccc2n1)c1ccc(F)c(F)c1 1269600327 NNVHDZYKJRKTJK-ZUOKHONESA-N 429.492 4.669 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C)c(OCc2csc(Br)c2)c1 1273312759 PRNGODRNFOHEPU-SJORKVTESA-N 436.371 4.861 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCC(F)(F)C(F)F 1286281604 KHXPGCZLNSYHOE-OAHLLOKOSA-N 440.485 4.618 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CCOC)CCC1 1286361845 UFJIDTIIPNVYDN-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1286497000 YIUQECROXWHZSA-YHDSQAASSA-N 442.604 4.939 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NCCC 1286565657 FZEYQRHYQRKYND-UHFFFAOYSA-N 429.634 4.594 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1286603636 VQRPZRZEDJRCNG-PKTZIBPZSA-N 438.616 4.743 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(NC(=O)CCC)CC2)nnc1C(C)(C)C)c1ccccc1 1286680216 ANNRSHKRCLELDI-OAQYLSRUSA-N 437.632 4.821 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1286731054 XXJABAWWPWSYJL-RTBURBONSA-N 446.039 4.889 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CC1([S@@](C)=O)CCC1 1286750197 SSKBULHQUOKPSD-GDLZYMKVSA-N 432.659 4.566 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1C 1286764966 IDGBLNLXBXXIHU-FUHWJXTLSA-N 433.394 4.783 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1Cc2ccc(Br)cc2C1 1286778610 HYFBWTKPFHRAPY-QZTJIDSGSA-N 431.378 4.665 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)C2CCCCC2)C1 1286805288 PTFPQBSPOWXMOU-NTKDMRAZSA-N 445.007 4.711 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)C1 1286806972 ZEPSUONJHQCOEG-QZNHQXDQSA-N 438.616 4.876 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1ccco1 1286827653 VZHFKOLYGGEHGF-LJQANCHMSA-N 440.569 4.816 30 10 IJEE COc1cc(CCc2cc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)n[nH]2)cc(OC)c1 1293885948 DHOYGPNVAXVTKD-UHFFFAOYSA-N 445.306 4.643 30 10 IJEE C#CC[C@@]1(C(=O)NCCCOc2ccc3ccccc3c2)CCCN1C(=O)OC(C)(C)C 1294943685 YQYOLOIOACMADP-SANMLTNESA-N 436.552 4.518 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)OCC 1298024169 HWCLFLITQZZOQQ-QFIPXVFZSA-N 437.927 4.820 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1300293833 SLPIYWJWAKGNOF-HSALFYBXSA-N 428.024 4.815 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1300349250 SFPGGXPROROENT-HOTGVXAUSA-N 433.419 4.841 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1300391263 LHBZLIOZEOQGFT-IBGZPJMESA-N 438.572 4.543 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1300394212 NHLSEOFPXKEHMA-QFIPXVFZSA-N 442.629 4.734 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCC(C)(C)C)CC1 1300710215 WUAUOWLUJDYPJE-UHFFFAOYSA-N 446.064 4.805 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H]2CSC)CC1 1300713011 DKFOXTQHLZDHOH-QUENFVSXSA-N 439.629 4.744 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 1300891372 KJNHAPRTMRUJKM-UPVQGACJSA-N 443.680 4.550 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](CC)C1)c1ccccc1 1301003219 HHZJFIIFOIXBBH-QGZVFWFLSA-N 440.389 4.996 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 1301221112 HNNCZISCXBHDLN-FQEVSTJZSA-N 429.609 4.905 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(F)F 1301391208 RUSWMCWDSALVFA-UHFFFAOYSA-N 439.551 4.616 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC=CCC1 1301421273 SDFUWSWFUZIFOW-KRWDZBQOSA-N 431.378 4.703 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3Cc4c(C)cccc4N3C(=O)OC(C)(C)C)cc2n1 1304007025 OTNUCKMETTZGMF-QFIPXVFZSA-N 432.524 4.836 30 10 IJEE C=CCS(=O)(=O)CCNc1nc(/C=C\c2ccccc2)nc2sc3c(c12)CCCC3 1307080302 HITOQRRBBPYSES-SEYXRHQNSA-N 439.606 4.753 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nnc1-c1ccccc1 1307240908 WXHYMVLGYANIIE-SFHVURJKSA-N 428.920 4.821 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCc3c(F)cc(F)cc3C2)n(-c2ccc(C#N)cc2)n1 1310721570 AHQMZGPBHUTFFK-UHFFFAOYSA-N 435.478 4.910 30 10 IJEE C[C@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1c(Cl)cccc1Cl 1311801627 CLAGKYILWDEJGO-CQSZACIVSA-N 435.330 4.639 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCCCC1 1358875495 QVFCCKSTQCWFRC-LJQANCHMSA-N 431.584 4.506 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1358913101 FVRMASLBQQWGRY-IPJJNNNSSA-N 440.613 4.705 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1358925517 IGVKLKYXSUKXJT-LJQANCHMSA-N 435.597 4.824 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1358936377 LYUSOSTWGWZLNS-WOYCLPQFSA-N 439.431 4.630 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCCN1CCC[C@H](C)C1 1358988170 GDDDCVWRVKHDOG-QFIPXVFZSA-N 443.595 4.666 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccsc1 1359003770 XDDHVSNXDMQBBG-HSZRJFAPSA-N 440.638 4.704 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCSc2c([nH]c3ccccc23)C1 1359049007 GIONJDZZVHHTQM-MRXNPFEDSA-N 425.627 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCc1ccccc1C(F)(F)F 1359069944 BWSAHFYIWHPDHW-DENIHFKCSA-N 432.490 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1c(C)noc1C 1359109443 BMXQETANDLQTKW-UHFFFAOYSA-N 429.952 4.857 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CCSCC 1359148176 GFLDDFBLBKTRHG-QGZVFWFLSA-N 431.009 4.851 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1359168748 HSARPGPADQZDTP-FGZHOGPDSA-N 437.632 4.696 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[C@H]2CCCCO2)CC1 1359176284 RTLICTRAKNJZHG-OAQYLSRUSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1359185360 UEOVKDDOGQJUFX-UHFFFAOYSA-N 435.616 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](C3CC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359193140 XXKTWZQNHNMZIN-SLFFLAALSA-N 443.636 4.887 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccco1)c1ccccc1 1359193634 HDNQPHSXTCXSMD-HXUWFJFHSA-N 442.523 4.515 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1359195918 UJRGGYNEPBSDLO-DEOSSOPVSA-N 444.627 4.544 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1359211177 UCJWOLZFSSMKGB-UHFFFAOYSA-N 445.552 4.520 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1CCNC(=O)C(C)C)C1CC1 1359246848 NEBFSNXUWUGJRW-UHFFFAOYSA-N 444.004 4.740 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)nc1 1359264305 AVTLKUHHPSZRSJ-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)C(C)C 1359264773 PBVMDONYUWGCNR-XZOQPEGZSA-N 444.023 4.516 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC1(SC)CC1 1359268658 YNMMSYAMVWVCOC-UHFFFAOYSA-N 425.421 4.843 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 1361274327 HGMXOZCPERBJKY-UHFFFAOYSA-N 438.487 4.567 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)CCc2ccc(OC(F)(F)F)cc2)c1 1436077492 CXUCMSAXJBFWIR-UHFFFAOYSA-N 428.204 4.895 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)c1 1442174010 KPIDMQKCPPHTKI-UHFFFAOYSA-N 427.501 4.606 30 10 IJEE C#CC[C@@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccccc1 1446337331 MMJCFASMKJLXBW-YADHBBJMSA-N 432.520 4.749 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1OC 1447362374 ONFTVTMBMBJGLE-WUHDLLBPSA-N 429.516 4.790 30 10 IJEE C=CC[C@@H](OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)c(Cl)c1 1459448762 ALRMEXALMDWTLY-LJQANCHMSA-N 440.348 4.908 30 10 IJEE CC[C@@](C)(O)CN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccccc1 1459958502 FTWAPHYIGHJNAF-IQGLISFBSA-N 439.625 4.736 30 10 IJEE C=CCN(C(=O)CN1CCO[C@H](C)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1460817708 OOUUPIFDAOSRNN-CQSZACIVSA-N 440.396 4.747 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nc(Cc3ccccc3F)no2)cc1 1465385805 FJLUNBGYFMAOGU-UHFFFAOYSA-N 443.438 4.785 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(Cl)cc1F 1470667804 SQGUWOFJKYHLAQ-SJORKVTESA-N 432.845 4.544 30 10 IJEE COC(=O)c1scc(C)c1NC(=O)[C@@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 1473010300 CLSYKVRLOVAFCT-SNVBAGLBSA-N 428.457 4.853 30 10 IJEE N#Cc1ccc(Br)c(CNCc2ccc(C(=O)OCc3ccccc3)cc2)c1 1474167133 GWDRJXJVVDQYHI-UHFFFAOYSA-N 435.321 4.968 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCCc2cc(Cl)ccc2Br)cc1 1475116509 GGWINLHHVIIUKI-UHFFFAOYSA-N 428.779 4.742 30 10 IJEE CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(Cl)cc1 1475272784 GQBNSZAHKUZKDE-QGZVFWFLSA-N 430.879 4.949 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 1476150589 JMKJBLBSUIIGCV-HXUWFJFHSA-N 441.572 4.590 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C 1476729217 RLNZYGMUULUMQQ-OXQOHEQNSA-N 444.373 4.656 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(Br)c(Br)c1 1477005232 RKEZZSALYTVDIA-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=CCC[C@H](NC(=O)N(C)Cc1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1 1478273605 ZNEQLDCVWLJPQH-SFHVURJKSA-N 435.494 4.872 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1F 1478901385 SEIOKWDJUKZBNX-LJQANCHMSA-N 449.954 4.729 30 10 IJEE C=CCCC1(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CCCC1 1478968531 VFAFEJJMLXJUNQ-FQEVSTJZSA-N 449.636 4.618 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1cc(Br)cs1 1492555997 AEDRDXLUKMVFJA-CQSZACIVSA-N 430.375 4.864 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cc(COC(C)(C)C)on1 1492565101 BSVRUNGSKLQASA-RUZDIDTESA-N 448.571 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ncc(CC)s1 1507518488 LXCAGDKFCOMAKE-QGZVFWFLSA-N 444.608 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(OCC)CCCC1 1507522559 IHFZWINGEAFENE-QGZVFWFLSA-N 445.405 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1C1CCCCC1 1507525153 FGZNLYSRQVFOSE-AZUAARDMSA-N 426.008 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCCc1nc(C)cs1 1507544729 BCWWMUDHJDVYJF-QGZVFWFLSA-N 444.004 4.756 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C)CC1 1507578307 YSZXMGZQYHQKAB-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(c2ccccc2)C1 1507747167 BESCRQSEILPTAB-UHFFFAOYSA-N 435.984 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCOCC1CC1 1507766025 XNVKCTKUZVHGIY-QFQXNSOFSA-N 436.600 4.844 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2cccnc2)C(C)C)CC1 1507877311 HRTINSLERKZCOJ-QFIPXVFZSA-N 432.528 4.845 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCn2cc(Cl)cn2)CC1 1507897551 RTPWCKHTUNGMBX-INIZCTEOSA-N 444.942 4.510 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)CC1)c1ccccc1 1507919340 CYZSJGURJWXWCU-IFMALSPDSA-N 444.583 4.912 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1 1507935067 MHPRVESVHKCDOI-INIZCTEOSA-N 439.423 4.989 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1 1508011166 NSDKSAXQVLCUDP-IHPCNDPISA-N 448.658 4.542 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(COC)CCOCC1 1508012025 RFPKWXDPBNKAOG-UHFFFAOYSA-N 438.616 4.864 30 10 IJEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1514252923 CGSGEHLIAUUNHS-GBXCKJPGSA-N 435.597 4.943 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)on1 1515604667 HUHDGGPLZCXDDJ-UHFFFAOYSA-N 438.944 4.903 30 10 IJEE C=CC[C@H]1N(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CCCC1(C)C 1519871041 QZGOJJIMESVCMG-GOSISDBHSA-N 442.419 4.596 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)cn2)cc1 1522808319 FAQGRSLYSOGRFQ-FQEVSTJZSA-N 437.425 4.642 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1523443573 IROXLRRAVNZEPT-UHFFFAOYSA-N 446.459 4.664 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 1524510429 KQCGRKCYMJLAAB-UHFFFAOYSA-N 447.516 4.962 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1525572515 BDIINRDXGTWRBX-IBGZPJMESA-N 447.560 4.591 30 10 IJEE C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1525937724 FJDIONRCQOUEKM-WIYYLYMNSA-N 434.536 4.720 30 10 IJEE CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 1528140040 DWHKHQRPWYJRQS-AREMUKBSSA-N 439.559 4.874 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ncoc1-c1ccc(OC)cc1 1528416042 STXOENCYVBABRM-UHFFFAOYSA-N 429.270 4.930 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C)ccc1Cl 1528830785 GMRZOBNSRIRKHD-UZLBHIALSA-N 432.973 4.640 30 10 IJEE C=C[C@H](CC(=O)N(CCCn1ccnc1)c1ccc(Br)cn1)c1ccccc1 1529469250 GMRGFEQSYUIYAR-GOSISDBHSA-N 439.357 4.824 30 10 IJEE C=CC[C@]1(C(=O)NCC2(CCOCc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1529687528 XNTULONSJJFXAV-AREMUKBSSA-N 442.600 4.836 30 10 IJEE C=CCCCC(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1529959748 LYMUDIOQBZUYLQ-JTSKRJEESA-N 435.973 4.990 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@H]1C1CCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531951998 DNCCXLCTXLYTER-OALUTQOASA-N 430.595 4.559 30 10 IJEE O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cn(-c2ccccc2C(F)(F)F)nn1 1533914262 HQFQVTHUVHFVQF-CQSZACIVSA-N 446.326 4.849 30 10 IJEE C/C(=C/C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)c1ccccc1OC(F)F 1535026547 MPSNZJOFLMMIFA-SREVYHEPSA-N 429.317 4.836 30 10 IJEE Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc2N1C(=O)c1cc(C#N)cc(N(C)C)c1 1536387764 IEENPJKZJOFILZ-VWLOTQADSA-N 438.531 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccncc1Cl 1538983261 PPNQDYLPRSECGZ-CABCVRRESA-N 425.989 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)COCC 1538985059 VONPFPBZUFPFLA-MRXNPFEDSA-N 433.394 4.537 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCCOC1 1539051689 DYEBLMNJULOBKX-MOPGFXCFSA-N 426.630 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1nc(C(C)C)cs1 1539320154 PNONYVZPRUWOGD-UHFFFAOYSA-N 440.576 4.584 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCO[C@@H]1CCCC[C@@H]1C 1539390711 UXGATAFHRLGGIW-GBXCKJPGSA-N 447.558 4.714 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(CC)C[C@@H](C)CC 1539506722 WYHKWMPREKPHLM-INIZCTEOSA-N 435.435 4.946 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CCC2)C1 1539607396 DYYLBCWMPDCPQI-UHFFFAOYSA-N 437.769 4.800 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1539672255 VXSBNRTXFIILQJ-HXUWFJFHSA-N 445.583 4.714 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1539966176 FZKDVTVZEQTFDX-PZJWPPBQSA-N 430.980 4.760 30 10 IJEE C=CCCCCn1c(N(C)CC2COC(C)(C)OC2)nnc1C1(c2ccccc2)CCC1 1539974618 DJSGMZMHOJVWFP-UHFFFAOYSA-N 438.616 4.940 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(O)(c2ccccc2)CC1 1540021839 VZBVTLRWLPFKOR-FGZHOGPDSA-N 438.616 4.651 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)SC 1540177029 KWSXLFMAPKIOHV-KRWDZBQOSA-N 435.638 4.670 30 10 IJEE C=CCc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc(OC)c1OC 1540582767 XEAGFVXVLRECDO-NRFANRHFSA-N 428.960 4.653 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1540885483 KARNCIMVWPLGTR-NQIIRXRSSA-N 446.542 4.951 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1Cc2ccc(Br)cc2C1 1540912838 JHYIJQFGBPODQK-UHFFFAOYSA-N 442.386 4.542 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCCc3ccc(-c4ccccc4)cc3)ccc2c1=O 1545439232 LUOCNEPAUVHUPM-UHFFFAOYSA-N 441.556 4.511 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1 1556942214 VFEUXNHDCQAMSO-DYESRHJHSA-N 434.349 4.605 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 1557475405 QUFXAWWZLGNKNT-SIKLNZKXSA-N 426.582 4.969 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)C(C)C 1558910309 ZGHHSVZKHOSQOT-BVAGGSTKSA-N 447.623 4.507 30 10 IJEE C#CCCOc1ccc(CNCc2ccc(I)cc2Cl)cc1 1560450126 RDQAVMKCVAYMFR-UHFFFAOYSA-N 425.697 4.637 30 10 IJEE CC(C)(CNS(=O)(=O)c1ccc(C#N)c(Br)c1)Cc1cccc(Cl)c1 1561381403 BYCHOHWKQVHDPX-UHFFFAOYSA-N 441.778 4.521 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(OC(=O)NC)c1 1562856989 KUPGBXPDXGYSDG-UHFFFAOYSA-N 436.281 4.527 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 1564913857 WTNMELDWBFUHIG-VABKMULXSA-N 440.534 4.762 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 1565019201 KWHXSEHAUGVLPE-RUZDIDTESA-N 426.532 4.823 30 10 IJEE C=CCC[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1ccccc1 1583036841 IXLGKOHPXWWVQK-LJQANCHMSA-N 430.346 4.784 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)CCC(C)C 1589242991 RXZLFXNMCCUPKV-CLJLJLNGSA-N 438.616 4.653 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCCC1(C)C 1589358056 MNSHWPBLLNKZHN-UHFFFAOYSA-N 440.183 4.995 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1589404071 GSNQVKLOMJNAFU-OALUTQOASA-N 447.377 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(F)cccc1Cl 1589515680 RATRONBJUFSJJW-QRWLVFNGSA-N 429.927 4.683 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1ncc(CC)s1 1593712342 ZLZUCVWLKTWKIX-UHFFFAOYSA-N 437.569 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2ccnn2)CC1 1594478538 UOYBDIIJCKNNET-UHFFFAOYSA-N 439.995 4.709 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@H](OC)C1 1594591145 MGJQIGAYDYWFMZ-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCCCC1 1594628084 YVBLVMUVGUUCSL-UHFFFAOYSA-N 437.636 4.825 30 10 IJEE C=CCCCn1c(N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)nnc1C(C)(C)C 1594766736 BPUUEBKVRRANBP-DFNIBXOVSA-N 431.625 4.909 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CCn1cc(Br)cn1 1595142976 WCYKPHCMONVNTN-OAHLLOKOSA-N 449.422 4.705 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCSC2)C1 1595700696 RGEWVWYDWBODEJ-RDJZCZTQSA-N 436.984 4.662 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 1596911599 WETXXMGCVPWSGS-DEOSSOPVSA-N 434.561 4.602 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C(F)(F)F)CCC[C@H](C(C)C)CC3)cc2C1=O 1597295161 QFEUIZMKENNNMA-NYHFZMIOSA-N 436.474 4.736 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)o1 1614431089 FVNDHTKQEZESJO-OAQYLSRUSA-N 432.572 4.986 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](c1ccc(CC)cc1)c1cccnc1 1627379097 KIDPNFKNQXNAQS-DNQXCXABSA-N 449.595 4.889 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnoc1 1632211810 AYTZLHKIYOBEFM-OAQYLSRUSA-N 437.883 4.663 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CC)Oc1cccc(Cl)c1 1635404202 UOCDEXSEKWVKJR-WBVHZDCISA-N 431.360 4.650 30 10 IJEE C#Cc1ccc(C(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)cc1 1639749445 KRALMJCEOIUPCP-NRFANRHFSA-N 429.301 4.510 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1CCc2ccccc21 1653214902 ONIFHUUYDBJSHW-RUZDIDTESA-N 440.522 4.666 30 10 IJEE C=CCn1c(Sc2cc(CC)nc(CC)n2)nnc1-c1ccc(Br)cc1 1654929871 OWAOTCJIADWDNY-UHFFFAOYSA-N 430.375 4.960 30 10 IJEE C=CCn1c(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)nc2sccc2c1=O 1656076523 LQKPLZXVUDVIKY-UHFFFAOYSA-N 427.429 4.863 30 10 IJEE CC(C)C[C@@](C)(NCCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Br)c1 1658519938 ALMKPCUUPVONRP-OAQYLSRUSA-N 449.414 4.646 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N[C@H](CCO)c1ccco1 1662958688 FGWZIVRYRKQGAD-GFCCVEGCSA-N 428.304 4.814 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC(O)(c2cccc(Br)c2)C1 1669073863 GSFQBMDFHDVKKT-CQSZACIVSA-N 446.370 4.579 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(-c2nc(CC)no2)ccc1C)c1ccc(Br)cc1 1669178575 QSYJQWMRAPJOFG-QGZVFWFLSA-N 439.313 4.866 30 10 IJEE Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1669566446 BJFGSYRDXPWUAC-UHFFFAOYSA-N 446.326 4.984 30 10 IJEE C#CCN(C(=O)Nc1ccn(CCC(C)C)n1)[C@@H]1CCOc2ccc(Br)cc21 1669771394 ITDNWQZOSMQREC-GOSISDBHSA-N 445.361 4.683 30 10 IJEE Cc1cc(Oc2cc(Cl)ccc2CNS(=O)(=O)c2cccc(C#N)c2)ccc1F 1671194898 ABHOMKGIVRTURC-UHFFFAOYSA-N 430.888 4.930 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 1672209820 KGNGNXJRDBLCOR-SFHVURJKSA-N 448.361 4.956 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1cccnc1)C1CCCC1)c1ccc(Br)cc1 1674030377 FIRUIJODNGFZJB-NHCUHLMSSA-N 426.358 4.619 30 10 IJEE COc1ccc(CCN(CC(C)C)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1OC 1682100382 AFKMFYPWJGFFBK-QHCPKHFHSA-N 435.568 4.863 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 1682155657 BZEPXDBYVJXVTL-HFSMHLIXSA-N 426.479 4.673 30 10 IJEE C=CCCC1(CNC(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CCCC1 1682547675 FYIBLGGTYOTCGS-GOSISDBHSA-N 428.527 4.969 30 10 IJEE C=CCC[C@H](CO)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1683732681 FIDSGHOQACDBGA-CQSZACIVSA-N 444.400 4.902 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCCc1nc(C)cs1 1689828399 NTWCOTLYADPJIW-QZTJIDSGSA-N 441.576 4.803 30 10 IJEE C#CCCCCn1c(N(C)[C@@H](C)c2cc3ccccc3o2)nnc1[C@]1(OCC)CCOC1 1689907052 ZJOHJWXLCCYBJN-DFBJGRDBSA-N 436.556 4.677 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)SC 1690084120 VAYOQDRVMMZBRF-UHFFFAOYSA-N 427.401 4.765 30 10 IJEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1690340123 FZJQOPSOYCQONB-ZDUSSCGKSA-N 444.764 4.979 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOCCC(C)C)CC1 1690367394 MTIMRVQFOYSDBV-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2C[C@H]2C)CC1 1690402925 VNYXHAWMFCBFJR-GDBMZVCRSA-N 431.378 4.775 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1c(C)noc1C 1690453955 OKRLBUPLUXEMAY-UHFFFAOYSA-N 433.354 4.633 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC(=O)NC(C)(C)C 1690455629 MHDLWRSLCDOEID-UHFFFAOYSA-N 438.403 4.959 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690487688 BMVXBZQLPMTVBB-SFHVURJKSA-N 425.577 4.751 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN(C)CC(F)(F)F 1690518416 JCYWYTAFAKEQIY-UHFFFAOYSA-N 441.567 4.782 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@H]1C)C1CC1 1690549463 DEOWSVJJPBOVTN-HXUWFJFHSA-N 437.632 4.794 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1Cc1nc(C)cs1 1690558306 LJQOEENFYCGXLF-UHFFFAOYSA-N 430.537 4.724 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1690561234 IHKFKPMIQJSMMC-VXNXHJTFSA-N 449.599 4.645 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H](OC)C(C)(C)C 1690571804 JLYZXGOFPRZACO-JOCHJYFZSA-N 437.563 4.657 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCc1ccc(OC)c(OC)c1Cl 1705715151 UGSZUOULAZLKBK-UHFFFAOYSA-N 441.963 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@]1(C)OCCc2sccc21 1705718875 COBLXSRWCKWREF-QFIPXVFZSA-N 428.627 4.882 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1Cl 1705733470 OPDYLUWSAVBUOS-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1705733878 WMPILFSQHSPFAU-FQEVSTJZSA-N 439.947 4.633 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1705837748 MVSXUUYYCXPLPK-UHFFFAOYSA-N 433.984 4.868 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccc(Cl)s1 1705866005 DWJSEFSBGRZJJG-UHFFFAOYSA-N 428.974 4.752 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1OCCC1(C)C 1705868367 KOVSDXBCQPFGOJ-LJQANCHMSA-N 443.642 4.703 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCN1CC 1705870686 NXUFYGWNBJPBFO-KRWDZBQOSA-N 448.384 4.509 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC)[C@H](C)C1 1705942257 LVBAUKNAFAVCHH-ZWKOTPCHSA-N 445.702 4.581 30 10 IJEE CC(C)(CN1CCCC1)Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1 1706197202 HUAQXGLPNNPFFS-UHFFFAOYSA-N 441.023 4.851 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(C)CCOCC1 1722466701 CQYWKZPMEQDGII-HFZDXXHNSA-N 436.600 4.844 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)c1ccsc1 1722504647 IYYIHUJKZAWRBT-XMMPIXPASA-N 448.596 4.707 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCC[C@H]2CC)CC1 1722564191 KBSXABCXIOTOOW-LEWJYISDSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(Cl)s2)CC1 1722569043 KUACWJDIPBSTEJ-UHFFFAOYSA-N 428.989 4.992 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1722583791 YQSYNYZPCLHHSG-AZUAARDMSA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(N)=O)CC1 1722585707 GPVAOLJFZCWHQR-UHFFFAOYSA-N 436.387 4.556 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1722597002 PRDBSYUAHHHUTP-HSZRJFAPSA-N 435.616 4.600 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC(O)(CC)CC 1722665003 FEDMVTQASDSXQE-UHFFFAOYSA-N 437.357 4.576 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N1CCC(C)CC1 1722669246 BZNGYAQWNQBWSW-NRFANRHFSA-N 432.616 4.736 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCCC1(F)F 1722679601 GWABYILRIILZDA-KRWDZBQOSA-N 429.515 4.891 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C)nc1 1740532570 INJPXCVAGDMXCC-RBUKOAKNSA-N 437.975 4.898 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1740655267 CMOYCFZWOLWUPT-RPBOFIJWSA-N 430.596 4.875 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1C 1740680554 GLUGXIKGGXDDKZ-GOSISDBHSA-N 434.609 4.574 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC1CCCC1 1740773195 VWXQZSNDWFGQGN-UHFFFAOYSA-N 444.649 4.611 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C)=C(Br)C1 1740783395 CZDILCDDNNDGRJ-UHFFFAOYSA-N 426.362 4.805 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740859709 PUULSDXPMSCALM-VLCRHTCISA-N 442.629 4.720 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(CC)(CC)OC 1740893449 KRJUFEYFJDSLDX-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)C(C)(C)C)C1CC1 1740906558 IHVQJYUDEZJMKH-UHFFFAOYSA-N 436.387 4.569 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1csc(COC)n1 1740918071 KFXQEGRQIFHTAQ-UHFFFAOYSA-N 425.602 4.711 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(F)(F)F)n1 1740922091 UFGFIZMNSRVYHA-UHFFFAOYSA-N 444.486 4.989 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1CC1CCN(c2ccncc2)CC1 1741516436 AWIKYVXAYKSDIF-UHFFFAOYSA-N 437.636 4.653 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1748654564 KGWUCWDXMZUSFD-RXVVDRJESA-N 439.604 4.515 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 1748698029 BVJLEPRWCMPMJQ-GHTZIAJQSA-N 428.552 4.612 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1748701673 NSVWCMSRQQTHOY-FYYLOGMGSA-N 446.599 4.774 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(C)CCCC1 1748867445 GKGKADMXRRTKKS-NRFANRHFSA-N 434.584 4.860 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1749083315 DBYOUCJMIBZPQQ-PBHICJAKSA-N 447.377 4.813 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CC1CCN(C2CC2)CC1 1749165851 QKSYEXMCYHWWAS-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCC)C1 1749203988 QPQRMPGJLUGFIG-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CCOC)CC1CC1 1749253017 IDKVWLTXTGQSJY-UHFFFAOYSA-N 439.991 4.968 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OC(C)(C)C)CC1 1749402472 ONHYHFKUGGYMGG-QFIPXVFZSA-N 440.588 4.931 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1749415522 SDJIWKDLEQSYGL-UHFFFAOYSA-N 448.527 4.571 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1C1CC1 1749540867 DCGXOOFVWJWMMW-NRFANRHFSA-N 425.596 4.924 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1Cc1nccn1C(F)F 1749587393 RQZULAVOFTUDLJ-UHFFFAOYSA-N 438.482 4.722 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nc(C)cs1 1749590158 QSPGPWHKLWZNMD-VQIMIIECSA-N 427.574 4.526 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1Cc1cnc(C)s1 1749590782 FYVGAIULRQIRLT-UHFFFAOYSA-N 437.544 4.649 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1749758564 SPGYLYYDRVXXFM-IBGZPJMESA-N 439.000 4.766 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCSC1(C)C 1760098712 WEESOTHEOWZJQH-OTWHNJEPSA-N 442.629 4.806 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(CN(C)C)c1 1760104264 VPUIHLSXLMGSIB-LJQANCHMSA-N 447.652 4.843 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C1CCCCC1)N(C)C 1760227893 PBDUOLHIJRYZOT-SIKLNZKXSA-N 441.595 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCc1c[nH]nc1C 1760288578 GOIODGGBGANSPQ-QFQXNSOFSA-N 446.599 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1760338486 LWURVRUHCWEMRY-GOSISDBHSA-N 445.583 4.666 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760433779 MFVARUSVBHEMDW-HIFRSBDPSA-N 437.407 4.739 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CN(C)C(C)C)CC1 1760439810 UNPMNXJOMJOCCB-UHFFFAOYSA-N 431.575 4.670 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1760458755 SCXUKSKVXVDXEE-UHFFFAOYSA-N 448.999 4.699 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccsc1)N(CC)CC 1760469059 SIGIMSVBTZAKLG-QHAWAJNXSA-N 445.677 4.964 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOc1ccc(F)cc1)C1CC1 1760475281 AZZLBHXUBCKWHU-FGZHOGPDSA-N 442.579 4.960 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H](C)N2CCCCC2)C1 1760539409 NUGRBDSAPKMYBX-DENIHFKCSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1760567494 DBNCIDFDQKNSPT-UHFFFAOYSA-N 439.673 4.873 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1760567940 RETVVULOACBGSI-OAQYLSRUSA-N 430.593 4.647 30 10 IJEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1761089201 FZJMQSKIAUGCMX-RBBKRZOGSA-N 439.579 4.986 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@@H](COC)C2)s1 1762625828 HKEZVBRIPSBCJF-LJQANCHMSA-N 435.597 4.742 30 10 IJEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1767325365 AAZNVSNRUMTVDL-PMACEKPBSA-N 427.618 4.742 30 10 IJEE CO[C@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H](C)CC#N)C1CC1 1769625870 HDYAIDWYGWZYKX-HNAYVOBHSA-N 436.585 4.540 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCOc1ccccc1 1861776825 NIITUMRNIDZEOK-XMMPIXPASA-N 442.575 4.799 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2cccc(C)c2)cc1 1862389251 BIVLONNVVGOLPF-XMMPIXPASA-N 443.547 4.882 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccco2)cc1 1862434096 RHRAPBHICSFSTN-NRFANRHFSA-N 436.895 4.778 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F 1862467952 FFIGCSNXNXPCPR-GOSISDBHSA-N 432.289 4.823 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862534012 QFGJSDWALIHXDU-NRFANRHFSA-N 432.432 4.529 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2)c1 1862625975 REFGNLYMHJAZNQ-QHCPKHFHSA-N 427.456 4.502 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCO)cc1 1862658973 WPIVGYJVGCUHCG-XMMPIXPASA-N 445.515 4.589 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(F)cc2)cc1 1862662091 HHSYSYSZSICKKR-QFIPXVFZSA-N 425.500 4.690 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862677337 DHZYDCKAGJUGLX-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862688812 BDCOZHZRHFXYCP-NRFANRHFSA-N 443.927 4.742 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862713000 FNHKJMWTNHQDDH-UPVQGACJSA-N 427.500 4.906 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(C)c(C)c2)C(=O)N(c2cccc(C#N)c2)C1=O 1862879156 KEHTXDDCHSVTQG-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(CCCCc3ccccc3)C2=O)c1 1863299157 HRMIUPJZPOLVEE-UHFFFAOYSA-N 439.490 4.912 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2c[nH]c3ccccc23)C1=O 1863495318 NBTKTDLMEVWKRS-KRWDZBQOSA-N 432.483 4.993 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(CCCN(CC)CC)C1=O 1863657651 JLFGZUBHGUBAMU-UHFFFAOYSA-N 449.586 4.727 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccc(CC)cc1 1864756556 MIPAFCZSVBSJAI-NRFANRHFSA-N 442.563 4.519 30 10 IJEE CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(C#N)cc1 1866827308 XPILADRKDJESOK-JOCHJYFZSA-N 443.551 4.503 30 10 IJEE CN(CCc1cnc[nH]1)c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(Cl)cc2)n1 1868424653 ZMCUXKDEEZUYGJ-UHFFFAOYSA-N 429.915 4.814 30 10 IJEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1870111758 BRAHBFKADMIVDK-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CSC(C)(C)C 1870274603 UQMXKPZIYSTXBK-UHFFFAOYSA-N 441.634 4.809 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(OC)cc2C)cc1=O 1871006508 JOSGBHWLKXSPOH-UHFFFAOYSA-N 441.531 4.513 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1 1871374184 WNCJJSRSBGNJKY-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)c1 1871380466 PKZPUFPVSNCUTH-VTKRUPEJSA-N 432.428 4.840 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)CCCC 1871833616 BRVFKRAEVZZBJS-NRFANRHFSA-N 440.675 4.878 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872380513 OQMLNUQBWHRRNQ-LIRRHRJNSA-N 442.553 4.647 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872502402 YCAADFUEOGSZMR-FQEVSTJZSA-N 444.597 4.523 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)CCCC 1872515043 OTALKJRQDRBTSM-QHCPKHFHSA-N 428.598 4.991 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760070 GMOBDQOZOIOZRF-ZDUSSCGKSA-N 428.813 4.770 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)CC1=O 1873005941 XJDBODKLHFLHOE-REWPJTCUSA-N 438.616 4.836 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203572 XMMMFGXOQMVCGJ-UHFFFAOYSA-N 427.504 4.644 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NC[C@@H]3CCCO3)ncnc21 1873612428 QZHCOCANGURLTQ-IBGZPJMESA-N 433.556 4.758 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1O 1874297086 JZLDEXDYMBLLCN-BUVRLJJBSA-N 445.504 4.657 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(F)c1 1874401175 IWXXQWQLUFEASF-VEMXNMSTSA-N 440.544 4.743 30 10 IJEE Cc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCC(=O)OCC(C)C)cc1 1874404225 NLRGAQIZMFJZKF-MFKUBSTISA-N 436.581 4.545 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccn2)c1 1874420705 ZWOAOMAJIDFXGW-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 1874445833 MGYOOQYALFFUDM-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(C)C)cc1 1874451684 LIFIZBMGXZZQMK-BUVRLJJBSA-N 427.618 4.902 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccc(F)c1 1874466465 LBIZDYDIVUUSMP-DHRITJCHSA-N 449.511 4.907 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1c[nH]c2ccccc12 1874494278 JGHHBDHCUJIHSM-VULFUBBASA-N 444.564 4.948 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccccc1OC(C)C 1874518193 HDMFFIVKJVNMLD-AFUMVMLFSA-N 449.580 4.864 30 10 IJEE C=C(C)CSc1nnc(C2CC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874519158 DRWVUSRLFHLXCR-AFUMVMLFSA-N 448.548 4.934 30 10 IJEE Fc1ccc(COc2ccc(/C=N/n3c(S)nnc3COc3ccccc3)cc2)cc1 1874561227 JENRMXYEVKQOPV-AFUMVMLFSA-N 434.496 4.746 30 10 IJEE CCCOC(=O)COc1c(OC)ccc(/C=C/C(=O)c2ccccc2)c1Br 1874595351 HEQROUBOLDGOLS-PKNBQFBNSA-N 433.298 4.686 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1874698879 RQJCQKCQPPIWJL-MDZDMXLPSA-N 448.387 4.627 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2OC)cc1 1875115348 ZGXSJIQXZDIXSJ-LNKIKWGQSA-N 448.471 4.593 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875119513 YPLPHLPQFWIYRH-CFGKVWFZSA-N 430.884 4.728 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 1875136877 KMOWMRVLERUYFJ-FMIVXFBMSA-N 432.432 4.812 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCCn3c(C)cc4ccccc43)n[nH]2)c1C 1890828627 YOOIZOHAPOMZLB-UHFFFAOYSA-N 430.556 4.549 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 1922052426 SFUFMEBFNURMRX-VXKWHMMOSA-N 434.621 4.524 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CC3)cc1 1925707542 JYSMMMWYTOSHCR-XMMPIXPASA-N 443.544 4.872 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1976227523 PGKAFRZSHLOOSQ-DZGCQCFKSA-N 447.167 4.552 30 10 IJEE CCCCC#CC[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024378268 HGVRHAZRZSKRGP-JYFHCDHNSA-N 427.633 4.718 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCC 2063096014 YNTVESZZKARNEN-KGLIPLIRSA-N 435.765 4.842 30 10 IJEE C=CC[C@](C)(Nc1ncc(I)cc1Br)C(F)(F)F 2069534114 QKHMLBYVVPKXCN-JTQLQIEISA-N 435.025 4.758 30 10 IJEE COC(=O)c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079196964 ONJGWCPKDDNWCD-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCCC 2126704338 KUFYMGWNYNPNRS-CABCVRRESA-N 433.337 4.717 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180959568 FTIAGAJNILNBPF-QGZVFWFLSA-N 436.350 4.829 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1C(C)C 2224257463 GRKHJWXOEJEUED-YOEHRIQHSA-N 429.403 4.737 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 2231044706 MJYWFLJHIOSTJE-UHFFFAOYSA-N 448.344 4.871 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2231173668 UIZBRNNQDPBTPO-WMZOPIPTSA-N 427.383 4.968 30 10 IJEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@@H](N)C#Cc2ccccc2Br)CC1 2235720639 HTPHKSMOXMNXHL-BPXKWBHBSA-N 435.406 4.992 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(C)(C)F 2235729606 NGSDVSIGHBUPLV-ROUUACIJSA-N 441.385 4.810 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CN(CCC(F)(F)F)C(=O)OC(C)(C)C 2235748272 YAVAVWUTWRRBSC-HNNXBMFYSA-N 449.311 4.578 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1(CC)CC(NC(=O)OC(C)(C)C)C1 2235748311 YEPSHTLNTROPCC-OZWAEMERSA-N 435.406 4.862 30 10 IJEE C#C[C@@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCN(C)CC1 2258106219 ZIUWRPPYBGSOCT-SANMLTNESA-N 426.560 4.766 30 10 IJEE C=CCCC1(C(=O)Cc2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 2266276050 HDBBYGQZEONNPH-UHFFFAOYSA-N 426.326 4.903 30 10 IJEE C=CCCC1([C@@H](N)Cc2ccc(F)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266311641 BSJNAZSQRZSDLB-KRWDZBQOSA-N 427.358 4.661 30 10 IJEE C=CC[C@]1(COc2cc(F)c(Br)cc2N)CCCN1C(=O)OC(C)(C)C 2272083152 FFCYSHVHJMYEMJ-LJQANCHMSA-N 429.330 4.895 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccccc3)ccc2O1 2296114251 UBIABAWBMUVICY-BXKMTCNYSA-N 425.484 4.632 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2296291612 QMUKKKNAYXZJLN-QUCCMNQESA-N 435.406 4.720 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@H](N)C#Cc1ccc(Br)cc1 2296293019 FMPNIVMDNWZRNL-GOSISDBHSA-N 431.330 4.856 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 2296293373 IZIWZJWCIVSABA-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CN(CC1CC1)C(=O)OC(C)(C)C 2296310421 JKWYBQKLYXMAGN-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)SC1=S 2313532972 BTXQNMFAAKCMNZ-UHFFFAOYSA-N 425.531 4.692 30 10 IJEE C#C[C@@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CN(Cc2ccccc2)C2(CCCCC2)C1 2315324368 YGKGKEVBRZMYPG-SANMLTNESA-N 437.628 4.520 30 10 IJEE CCCOc1c(Br)cc(C=NNc2nc(O)cc(C(C)C)n2)cc1OCC 2318415676 UCQBCEMLEMQCKF-UHFFFAOYSA-N 437.338 4.702 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1N=Cc1cccc(Cl)c1 2320941170 ACENLUXMCJNJFS-UHFFFAOYSA-N 427.961 4.669 30 10 IJEE COc1ccc2c(C=Nn3c(C)nnc3SCc3cc(C)cc(C)c3)c(C(=O)O)[nH]c2c1 2321817837 ZYZWYBKFSHLDBN-UHFFFAOYSA-N 449.536 4.566 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)c1 2322378843 WSGCILUMZDYGBU-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COC(=O)COc1c(Br)cc(C=CC(=O)c2ccc(C)cc2C)cc1OC 2323865079 DTNQGQORKLROJV-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cc(Cl)c(OCCCO)c(OC)c1 2324499020 PQKKZSZMCPAECN-UHFFFAOYSA-N 425.308 4.976 30 10 IJEE CCOc1ccccc1NC(=O)C(=O)C=Cc1ccc(OCc2ccccc2)c(OC)c1 2325649653 BVTSISGGRZZQTA-UHFFFAOYSA-N 431.488 4.894 30 10 IJEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2325910905 CAVIYZONNYTYDU-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2326002809 KGGNFNZSYHEWCJ-UHFFFAOYSA-N 445.932 4.846 30 10 IJEE Cc1ccc(CSc2nnc(C)n2N=Cc2cc(Br)ccc2O)c(C)c1 2326433109 DWICXCGOXUWKOW-UHFFFAOYSA-N 431.359 4.846 30 10 IJEE CCOc1ccccc1C=Nn1c(CC)nnc1SCc1ccc(C(=O)OC(C)C)o1 2326870872 BAAPZZANHHAPTN-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE Cc1ccccc1CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1 2327820348 SBYFLQDLCICIPI-NRFANRHFSA-N 447.608 4.875 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330078460 DZXVBBYZEAXECT-NRFANRHFSA-N 432.605 4.725 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2C)o1 2330667876 ZXJUKXUCTWTEPT-UHFFFAOYSA-N 432.505 4.808 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2F)c1 2331377119 LIOGRMDIXHVXJD-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(F)c2)c(C)c1 2331416233 XYLPXWVICDRODQ-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 2331512473 IVCIMEPWQWTMEE-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C1CCC1 2331543753 PSGAXMWERZGKLG-INIZCTEOSA-N 439.610 4.767 30 10 IJEE CC#CCN(C[C@H](NCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2337908082 UYPWHQAINHOBDJ-INIZCTEOSA-N 431.321 4.638 30 10 IJEE Cc1scc(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c1Br 2343489570 XNDPPVZQZHBFBE-KZULUSFZSA-N 426.185 4.517 30 10 IJEE C[C@H](OCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2344033966 JYTXWPLAYQZDTC-HNNXBMFYSA-N 449.278 4.548 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360943350 GCKROBYIRNVJOC-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(F)c(Br)c2F)OC1(C)C 2364870818 APBBSAFZCWYSOL-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CCc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)Nc4c(C#N)cnn4C)c23)cc1 16893359 LBGWIHIYBCVGBI-CYBMUJFWSA-N 448.577 4.645 30 10 IJEE C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1nnc(C)s1 39866380 KZCTTWWLIRDNLO-MJBRBLHISA-N 435.372 4.789 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)CCCOc1ccccc1 40844652 IWJJOIYDJNTJQS-UHFFFAOYSA-N 442.467 4.922 30 10 IJEE COc1cc(C(=O)/C(=C\c2csc(C)n2)c2nc3ccccc3[nH]2)cc(OC)c1OC 51065505 BXBRWXGMHVNAHE-LFIBNONCSA-N 435.505 4.777 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 62897772 BRMFVJXPTBOKAG-UHFFFAOYSA-N 427.460 4.874 30 10 IJEE CCOC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc(N4CCOCC4)cc3)o2)cc1 96767061 UQKTZBVNXCURSU-QBFSEMIESA-N 431.488 4.856 30 10 IJEE N#C[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(F)cc1F 111029643 GQIZFNNKDHRLOZ-GOSISDBHSA-N 444.235 4.909 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2O)cc1 169923729 JGCKMADPKJJSMJ-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953388 FSBUOEKDLPHRQW-XMMPIXPASA-N 442.515 4.934 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccnc2)cc1 170009873 HOHYFAPHNOWWPN-NRFANRHFSA-N 434.879 4.786 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccncc1 170018869 SRYBLSAWNUMRLU-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)cc1 170023847 QXMBMZRPTJYBPK-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 170052710 IXUXQMVELOBVES-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccco1 170295037 LGEJIYXPENGPRM-GOSISDBHSA-N 448.313 4.819 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(C)o2)c(C)c1 170299225 RGEUVJDFVYZMKO-NRFANRHFSA-N 439.414 4.966 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1 170384234 XJPLQSAIPAFRAB-JOCHJYFZSA-N 428.444 4.943 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)c1 170432515 KRDKPKYMHQDNHY-NRFANRHFSA-N 443.459 4.564 30 10 IJEE COc1cc(C=NN2CCN(Cc3ccc(C)cc3)CC2)ccc1OCc1ccccc1 254462706 JNRXJPOTHGUAMY-UHFFFAOYSA-N 429.564 4.734 30 10 IJEE C=CCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)csc1=Nc1ccc(C)cc1 254497730 NWYNFLJKCMFNSA-UHFFFAOYSA-N 441.622 4.974 30 10 IJEE Cc1cccc([C@H](C#N)C(=O)c2cc(I)ccc2Br)c1 300462924 SQPAMZFPLULOBU-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](C#N)c2ccccc2I)CC1 309750122 ZDPFPLHACNEHRN-OAHLLOKOSA-N 426.298 4.545 30 10 IJEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1cscc1Br 404916567 PFXIYJRCCOCNDN-UHFFFAOYSA-N 436.180 4.625 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1ccc2c(c1)CCCO2 438998588 KFAWDQLFCZAKAZ-UHFFFAOYSA-N 427.460 4.561 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc3c2OCCC3)cc1Cl 440709038 AHPJHYAPOXHOLA-FQEVSTJZSA-N 445.906 4.898 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460928126 AKCNODXHMDCDJM-QFIPXVFZSA-N 436.581 4.738 30 10 IJEE C=CCN(C(=O)CSc1cc(Cl)ccc1Cl)c1nc(C(=O)OCC)cs1 501936875 GIHURPMIANPTIA-UHFFFAOYSA-N 431.366 4.938 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)c2ccc(OC)cc2)CC1 508870855 BZGBQFZUAWDGAZ-UHFFFAOYSA-N 434.515 4.687 30 10 IJEE Cc1cc(C)c(C#N)c(SC2=C(Nc3ccccc3C)C(=O)N(c3ccccc3)C2=O)n1 526670937 YWHMISPPLCCXCF-UHFFFAOYSA-N 440.528 4.868 30 10 IJEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1cc(OC)c(OC)cc1OC 526811785 TVJQXBGRMWPCAG-FMCGGJTJSA-N 446.960 4.694 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(C)o1 526831170 JIWCWYVZPLRDGZ-UUYOSTAYSA-N 430.530 4.855 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 581619984 BVCLBMYOLIENEV-GOSISDBHSA-N 432.496 4.762 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C2CN(C(=O)OC(C)(C)C)C2)c1 686262439 GVZJLWQSXQSEAR-QHCPKHFHSA-N 431.533 4.586 30 10 IJEE Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740022255 HMQBMALWRUHSOU-UHFFFAOYSA-N 445.592 4.669 30 10 IJEE COc1ccc(/C=C(\C)C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1F 755584414 WBMFRJSCESAYOM-RZXPCSSPSA-N 437.496 4.703 30 10 IJEE O=C1C=CC=N/C1=C(/O)NCCN[C@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 779102788 BVOWBIMTYNJTOW-GEXZYOHASA-N 449.860 4.564 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)c1ccccc1 1125306213 SQIBMNMPBZOPQT-YXKKDJNZSA-N 439.581 4.578 30 10 IJEE N#Cc1ccc(COC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc1 1128103312 BYIHPFVGWLCYJV-BJKOFHAPSA-N 431.923 4.566 30 10 IJEE C=C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 1128494909 GVCNLTOJEDHYBE-IBGZPJMESA-N 440.519 4.872 30 10 IJEE C=CCOc1ccc(CNC(=O)CCc2nc3cc(Br)ccc3s2)cc1 1128762557 PPRVTZGXBVHEIW-UHFFFAOYSA-N 431.355 4.873 30 10 IJEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)c1 1129225807 DOSIMJPKWJYFET-CABCVRRESA-N 445.610 4.587 30 10 IJEE C=CC[C@]1(C(=O)NCC(CC)(CC)C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1129963647 YOYIXORPOWFJBW-XMMPIXPASA-N 438.609 4.597 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c(OC)c1 1130165604 JOKPVCICFSVFGM-MRXNPFEDSA-N 432.442 4.762 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1130322229 FPWHJAXXKKEHDY-DEOSSOPVSA-N 432.564 4.981 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC3(c4ccc(Cl)cc4)CCCC3)ccc2c1=O 1136504088 MCSPGTURURZNAN-UHFFFAOYSA-N 439.968 4.724 30 10 IJEE C=CC1(CC(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1137424227 JQMIJLQYZIPBKZ-UHFFFAOYSA-N 432.524 4.777 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)C(C)C 1144197130 FESNLMOMIYNNKB-QHCPKHFHSA-N 441.616 4.803 30 10 IJEE C=CCCC[C@H](NC(=O)C1(c2ccc(Br)c(C)c2)CCCCC1)C(=O)OC 1155475813 TXWYGIQDOQTEEH-IBGZPJMESA-N 436.390 4.974 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)cc1 1203391400 FKLVDNDBMHLDDF-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE COC(=O)[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)Cc2ccccc21 1214602316 DFJKUCOGYDGRPV-DNQXCXABSA-N 425.488 4.646 30 10 IJEE N#CCOc1cccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)c1 1216809203 GAZUBGPOUMQYGJ-LJQANCHMSA-N 429.904 4.512 30 10 IJEE C=CCC[C@@H](C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1267702590 WZBIFUFPRCENOO-VQTJNVASSA-N 430.470 4.673 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1286347725 QALJVYGMTUBMLG-RTBURBONSA-N 449.368 4.843 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1[C@H]1C[C@H](c2ccccc2C)C1 1286379844 DIVOPGRCCZARNC-ONTIZHBOSA-N 449.599 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1286571046 HNURTWYCCVFSSA-UHFFFAOYSA-N 430.597 4.759 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)c1ccccc1 1286615084 FVHWNEFTZVADEV-HNNXBMFYSA-N 442.489 4.877 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@](C)(O)CC)CC1 1286655203 HRIBYSJCVRGDPA-AREMUKBSSA-N 433.600 4.916 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cnn(CC)c2)CC1 1286657136 UKHINNUFHSAQBN-KRWDZBQOSA-N 440.979 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)CC[C@H]1C 1286672198 JADGCYAXEPSKLQ-VQTJNVASSA-N 437.636 4.679 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1286680018 VGPGROGSGJHVMY-DEOSSOPVSA-N 449.643 4.990 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286701919 BWZUCCCNVRDRAX-OAQYLSRUSA-N 437.632 4.521 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC(C)=C(Br)C1 1286712822 LVYDVCLMMGSVAJ-UHFFFAOYSA-N 445.405 4.649 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1oc(CC)nc1C 1286754394 WSODCNNMODYCPS-UHFFFAOYSA-N 442.361 4.793 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1nc(C)cs1 1286755091 ZADIEEWTKAAOJO-CYBMUJFWSA-N 447.406 4.783 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2c(C)coc2C)C1 1286800319 JOCPIIRSYKWYPU-RXVVDRJESA-N 440.519 4.597 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)c1ccccc1 1286970175 AMMQYHFNDVOXCQ-BHIYHBOVSA-N 431.531 4.585 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 1289587416 WFVMQXSIQJNMCO-YFWNDERMSA-N 441.553 4.930 30 10 IJEE C#CCN(C(=O)CCC(=O)c1cccc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1293513970 WAKFUZXBKMFSOA-LJQANCHMSA-N 444.300 4.537 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1299852854 NJAWHERIACTJID-FNZWTVRRSA-N 444.575 4.812 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCS1 1299903544 FRIRENFVNDWLRN-IIBYNOLFSA-N 431.993 4.633 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1300295122 CZBWQLQXMDFHET-KRWDZBQOSA-N 446.624 4.891 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCC1 1300362142 LKVCULDHZZPKMP-OAQYLSRUSA-N 443.636 4.823 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1300398977 DRHPKVUSUDEJRP-NRFANRHFSA-N 430.581 4.688 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@@H]1C(=C)C 1300429698 AGTRQDDDJZUTEI-QKNQBKEWSA-N 442.991 4.739 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1300850337 YORCYUFXDCFNRQ-MLGOLLRUSA-N 436.225 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCCCC1=O 1300900921 JPMZTIBSANGICP-UHFFFAOYSA-N 446.599 4.607 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1300971461 AGSQUEHFKSMKEQ-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1300979901 HZRVKEIXURDYEA-INIZCTEOSA-N 428.483 4.841 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC1 1301149292 ZZCOBYIGEHSZCF-IBGZPJMESA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1301283323 VSLVXOCBMREDCO-UHFFFAOYSA-N 445.276 4.675 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1nc(C(F)(F)F)cs1 1301287784 YIFIDKWIAXIYBG-UHFFFAOYSA-N 446.502 4.777 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)[C@@H](C)CC)C1CC1 1301317751 XYCYPZOXTQFODW-ORAYPTAESA-N 439.423 4.721 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CC1(C(=O)NCC)CCC1 1301359873 QRSANQODTJXDIP-UHFFFAOYSA-N 435.597 4.506 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCS2)cc1 1303094097 CZLBWHXIGPUUIS-OFNKIYASSA-N 443.592 4.708 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCCC1)C1CCCC1 1303147865 BKEDSBUUVQJHHL-NRFANRHFSA-N 434.632 4.954 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCOc1ncccc1Cl 1303628662 DYLUXQACLGLPJM-ZDUSSCGKSA-N 449.317 4.603 30 10 IJEE C=CCC(C)(C)C(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1306083569 KYIBEYPPGDXNSX-IBGZPJMESA-N 428.573 4.998 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCN1CCc2ccccc21 1310862694 RUYAHKDVDXRZEK-UHFFFAOYSA-N 430.346 4.588 30 10 IJEE C#CCN(C(=O)Nc1ncccc1SC)[C@@H]1CCOc2ccc(Br)cc21 1310968322 MVGIOHSNZFOLAW-OAHLLOKOSA-N 432.343 4.557 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc21 1311251475 CPPJHZJFGADEJG-UHFFFAOYSA-N 429.446 4.595 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1 1312335020 XIDRLIPJFKFPJP-UWJYYQICSA-N 449.364 4.746 30 10 IJEE CS[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1316390890 BYQCHOIILCKKCU-HNAYVOBHSA-N 442.633 4.521 30 10 IJEE COc1cc(CN(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1OCc1ccccc1 1349814274 BNXGRAVZAUQMGD-UHFFFAOYSA-N 444.531 4.962 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1352043217 JPCUIAIJMGDBBS-QFIPXVFZSA-N 426.532 4.691 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)n3)c2)c1 1354195244 HSAFHDCRMFLZQT-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE C[C@H](OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)c1ccc(C#N)cc1 1354918348 IBOLJOVUMXTXGP-MSOLQXFVSA-N 446.528 4.616 30 10 IJEE N#Cc1cc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)cnc1C(F)(F)F 1354925089 BNPGBIAFMPNDGJ-UHFFFAOYSA-N 438.247 4.934 30 10 IJEE C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1358253117 BWSKLHGTILUJSB-SFHVURJKSA-N 428.488 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@](C)(O)C1CC1 1359067107 ATEMBXJTUUZQJF-FTJBHMTQSA-N 436.600 4.523 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CCC(F)F)nnc1C1(c2ccccc2)CCC1 1359104775 FUPUSBZEDVAEFN-GHTZIAJQSA-N 430.543 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1359113059 YRBSXENTYMULHX-RTBURBONSA-N 435.613 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1359185786 JAMHYLJFMIFCMS-UHFFFAOYSA-N 436.629 4.635 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](COC)C1 1359219903 HMWHTGLOIRALTA-HNNXBMFYSA-N 425.360 4.603 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1359219927 IVVXQWDOQFMFEV-LJQANCHMSA-N 428.487 4.960 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1N(C)CCCC1(C)C 1359258706 ZOEVFIFPTHEQRU-PKTZIBPZSA-N 437.632 4.833 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cscc2C)C1 1359312949 DDUUQGPZAHUOMS-LAUBAEHRSA-N 442.560 4.757 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(c2ccccn2)CCC1 1359466377 AFGBWURPQQDJOU-OALUTQOASA-N 448.546 4.670 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1OC(F)(F)F 1440828069 MKYNVSWDWYMORF-AWEZNQCLSA-N 436.858 4.580 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1444797694 DXXRBFLNJMNYTH-HUUCEWRRSA-N 428.982 4.551 30 10 IJEE CC(C)[C@@H](C(=O)N(C)CC(C)(C)C#N)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1450149385 FORXINXXFVYJPZ-DEOSSOPVSA-N 447.579 4.900 30 10 IJEE C#CCONC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)C[C@H](C)C2 1453279749 JOVDKFLDGPVBNN-DOMQTXCISA-N 442.515 4.670 30 10 IJEE C=CCC[C@@H](C(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1456437372 WMUAAMMDJOKMDC-GUXMJAIHSA-N 442.600 4.801 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nnc1-c1cccs1 1458997275 OTZULOPVIFEPDP-MRXNPFEDSA-N 434.949 4.883 30 10 IJEE C=CCN(C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)[C@H](C)COC 1461521815 FHKKGACFGXFDDF-CYBMUJFWSA-N 441.881 4.696 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1cc(F)c(F)cc1Br 1470092658 FXOHEIGBKLLDOI-UHFFFAOYSA-N 425.273 4.947 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(Br)c(F)c1)c1ccc(Cl)cc1F 1470665491 FQDDBKGEMPTZPZ-QGZVFWFLSA-N 427.676 4.897 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCCN(c3ccncc3)CC2)c1 1472583618 BHXZTCWCJSOAHT-UHFFFAOYSA-N 432.911 4.751 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1495998948 BUYUCQMXEHFDJL-OAHLLOKOSA-N 428.462 4.761 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ncccc1C 1507649560 YGGCTTDZJPESFI-UHFFFAOYSA-N 441.535 4.637 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1507679610 ONQSNLHILKEBDS-NNMXDRDESA-N 445.007 4.982 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1507764278 LGTJAHCDJXWNDL-WSZYKNRRSA-N 440.563 4.753 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N(CC)CC 1507765093 XSMLWSQRAPBAQL-XHNVNVPESA-N 439.673 4.854 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1507792773 AMRGJUVFEVIUKB-AZUAARDMSA-N 425.964 4.710 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1507827354 KAOAHDUEJGVYJB-UHFFFAOYSA-N 437.613 4.596 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC1CCCCC1 1507839782 VKNLPMVAPBWSMX-UHFFFAOYSA-N 434.588 4.944 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)c2nc(C)cs2)CC1 1507877300 HIPLGLIAEQJDLK-MRXNPFEDSA-N 439.585 4.687 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1507880881 LFMRFLIVSWIRJG-GAJHUEQPSA-N 442.560 4.683 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1507926683 IANMIXYDPRFQSY-LJQANCHMSA-N 427.593 4.582 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1507952387 RZRYDRVFFAUERT-HSZRJFAPSA-N 434.588 4.846 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(CC)cc1)C1CC1 1507989121 YAIWYCZWBGCRPQ-UHFFFAOYSA-N 440.389 4.996 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)SC 1507998171 MIBFZNFWEVAPEF-HXUWFJFHSA-N 430.618 4.863 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCSCC(F)(F)F 1508013983 UCZDNHKOUNJWIB-UHFFFAOYSA-N 433.503 4.967 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](COCC)C1 1508103664 DMLYTUMVQFAIGW-HXUWFJFHSA-N 436.556 4.713 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2c(CC)noc2C)C1 1508119023 ZDUMZFXLIFITSM-NHCUHLMSSA-N 435.572 4.508 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)c2ncc(C)s2)C1 1508119916 XYVPYRSLRNPVLY-BEFAXECRSA-N 444.004 4.948 30 10 IJEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CC1 1510322381 ADKIOMAHQSYKJC-HSZRJFAPSA-N 425.602 4.641 30 10 IJEE Cc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)sc1C 1510419231 DVYSLZPQHMXHGJ-UHFFFAOYSA-N 441.004 4.578 30 10 IJEE C=CCC[C@@H](NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21)c1ccc(C(F)(F)F)cc1 1520112327 DURWKHAKGGUWOA-MAUKXSAKSA-N 432.442 4.643 30 10 IJEE Fc1ccccc1OCc1nnc(N(CCC(F)(F)F)CC2CC2)n1CC(F)(F)F 1521048888 DDOWMVPDPJNWKR-UHFFFAOYSA-N 440.363 4.727 30 10 IJEE C=CCc1ccc(OC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c(OC)c1 1521158975 WXURXWLMWLPUET-NRFANRHFSA-N 430.342 4.929 30 10 IJEE C#CC[C@]1(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1521577592 AINUIMWEFHJKCN-OAQYLSRUSA-N 425.356 4.745 30 10 IJEE CCOC(=O)c1nc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)sc1C(F)(F)F 1522611470 CBCDHQYGAYSYDX-UHFFFAOYSA-N 430.301 4.749 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccccc3)c(C)s2)CCCN1C(=O)OC(C)(C)C 1523765213 RDTWEWCQSZXZSY-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)Cc1ccc(OC)c(OC)c1 1527817743 GEZTVENGYDWMGL-OAHLLOKOSA-N 437.458 4.896 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1528518205 AUNINNUAXOHPTM-NQIIRXRSSA-N 433.581 4.673 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(C#N)c2Br)CCCN1C(=O)OC(C)(C)C 1529123333 AVIUDAFZNODIQA-HXUWFJFHSA-N 434.334 4.605 30 10 IJEE C=CCC1(NC(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)CCCC1 1532701050 KMJNWWYRGKDGLK-UHFFFAOYSA-N 443.267 4.667 30 10 IJEE C=C(C)[C@H](CC(=O)OCc1ccc(I)c(C(F)(F)F)c1)OCC 1537266695 PBHFLQAABRDFDS-AWEZNQCLSA-N 442.215 4.725 30 10 IJEE C#Cc1ccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)c(Cl)c1 1538774527 BXMDNKORHDKAOQ-DEOSSOPVSA-N 440.927 4.635 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1538889967 HNPDZJKHBRHCIY-QRVBRYPASA-N 426.479 4.875 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1539087541 WGTZWBRUHHYHRL-OALUTQOASA-N 446.064 4.946 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1539102052 RCFYIYWSRSRDNT-OAQYLSRUSA-N 430.581 4.688 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)Oc1ccccc1 1539351182 OMZFEGSUUPPDBU-HNNXBMFYSA-N 445.386 4.696 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539526626 NTMSHJAQHRFSJY-OAQYLSRUSA-N 438.641 4.857 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)CN(C)C)CC1 1539859370 MXZJDAHQGOAGTI-UHFFFAOYSA-N 434.053 4.968 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1539898792 YRUISOFQOVXZIV-XMMPIXPASA-N 438.597 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)N1CCCCC1 1540062781 XNPVKVCPFLLBTL-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H](OC)c1ccccc1 1540140667 RDRKVPPYOPDPFX-JOCHJYFZSA-N 431.565 4.982 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCc1csc2ccccc12 1540198461 KJEBOLPVBIOKSR-UHFFFAOYSA-N 433.581 4.745 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1540855759 SYICXCILYRAGAF-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE CC(C)(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1)C1CC1 1541238322 AOHAIROAKMPOBF-UHFFFAOYSA-N 447.505 4.537 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)cc1 1542675721 GYQQXAWBPYWJFF-UHFFFAOYSA-N 435.524 4.600 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)NC3(C(=O)OCc4ccccc4)CCC3)c2)cc1 1556956385 GPTVTTSBBRUWRO-UHFFFAOYSA-N 425.488 4.698 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 1557977109 AHCLFNVKJCZISN-UHFFFAOYSA-N 432.326 4.775 30 10 IJEE CCOc1cc(CSc2ccc(C#N)c(C(F)(F)F)c2)nc2nc(C(F)(F)F)nn12 1559392788 DUTGVUFXJFYLDE-UHFFFAOYSA-N 447.364 4.725 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](c2ccc(C)cc2)N(C)C)cc1OC 1560297419 DMNAJJAQKPDDDI-FQEVSTJZSA-N 433.390 4.723 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc3nc(O)[nH]c3c2)cc1OCC 1560330781 ZIJZQZFHCWOMIF-ZDUSSCGKSA-N 446.345 4.845 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Br)c1COC)c1ccc(Cl)cc1F 1562303983 AWAFVYXZOWVMRB-MRXNPFEDSA-N 425.685 4.884 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CC(Cc4ccccc4OC(F)(F)F)C3)cc2n1 1563300204 GEWBRYCNBNBDKY-UHFFFAOYSA-N 430.430 4.827 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 1566412417 QKDFMKHKXHTZIA-SFTDATJTSA-N 444.934 4.991 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)s1 1566426122 HHLRYYUYHZCHST-VQIMIIECSA-N 440.009 4.539 30 10 IJEE COc1ccc(CCC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)c(OC)c1OC 1583689224 FXIDIJZWWSMZGV-KBPBESRZSA-N 428.554 4.903 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 1587499126 HXJVGRWKUHQLEX-UHFFFAOYSA-N 447.760 4.834 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 1587772951 PKYBWOCJGWLFDO-UHFFFAOYSA-N 427.010 4.627 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1587926969 NXEUPQRNTCFJRI-DLBZAZTESA-N 428.462 4.698 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC2(CCC2)C[C@H]1CC 1589110022 NQXJFIJBPIECQD-OAQYLSRUSA-N 438.641 4.999 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCSC 1589527955 BWHFSSLZRKTNQD-LAUBAEHRSA-N 425.602 4.597 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)OCC)CC1 1594218850 VPTXDHQZJTYSOL-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cc(C)on2)CC1 1594430553 OBDSQEAGDFXOOK-UHFFFAOYSA-N 435.572 4.902 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1594709425 UQSHMEOQEZYGJM-UHFFFAOYSA-N 445.036 4.568 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC[C@H]1CCO[C@@H](C)C1 1595076047 RPTXPCYYNAHCOU-SFTDATJTSA-N 447.583 4.747 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N2CCCC[C@H]2Cc2ccccc2Br)c1 1595518205 GPZLNYNBUVVDPH-IBGZPJMESA-N 426.358 4.624 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)c2c(C)noc2C)C1 1595701321 ZUSYRLRBAYNZMH-QRWLVFNGSA-N 441.963 4.788 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)OCc3cccc(Br)c3Cl)C2)c(F)c1 1596960658 FTZKZFQAOOPVOP-ZDUSSCGKSA-N 437.696 4.683 30 10 IJEE Cc1ccsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1611878735 DBLATXMSFGHXKC-UHFFFAOYSA-N 443.580 4.785 30 10 IJEE CCN(C(=O)OC(C)(C)C)C1CCN(c2ccc(C#N)c(Br)c2F)CC1 1613092227 BCCAWJIMZBEMCZ-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE N#Cc1ccc(N2CCC[C@H](Sc3nnc(Nc4cccc(F)c4)s3)C2=O)cc1 1613358821 BCTARWRZYJUHAY-KRWDZBQOSA-N 425.514 4.580 30 10 IJEE CC([C@H](C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)c1ccco1)=[N+]([O-])O 1614949791 KPDPZBYGDIPLTD-JVCJXORTSA-N 428.916 4.841 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1615451905 IADPAPXQDPPNSC-ZWKOTPCHSA-N 428.650 4.744 30 10 IJEE COc1ccccc1NC(=O)c1ccc(NC(=O)CCN(CCC#N)CC(C)(C)C)cc1 1615595457 BMLLIPBLPZDNFT-UHFFFAOYSA-N 436.556 4.538 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1624414369 BFYBGNNXZGSVHJ-HHHXNRCGSA-N 442.515 4.850 30 10 IJEE C=CC1(CC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1625050702 XSTJXACBCDVJOX-DEOSSOPVSA-N 432.564 4.974 30 10 IJEE C#CCN(C(=O)c1cc(Br)ncc1Br)[C@@H]1CCCc2ccccc21 1626711007 QLRJZVJWXCFAEW-QGZVFWFLSA-N 448.158 4.760 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1ccc(O)cc1)c1ccc2c(c1)OCCO2 1627421145 JFPUDEKVYQZEMX-NTEUORMPSA-N 443.499 4.975 30 10 IJEE N#CCc1ccccc1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 1628115876 ARSPQILYJWJSTM-UHFFFAOYSA-N 437.421 4.954 30 10 IJEE C#CCSCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 1629584366 DSEDXTNBZWACME-HTXNQAPBSA-N 428.557 4.826 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccccc3)n[nH]2)c1C 1631180520 XJAYZAHEDPIVOB-XUZZJYLKSA-N 447.583 4.585 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 1632118640 ROZIIBOGRMTVGF-UHFFFAOYSA-N 449.276 4.674 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 1634604105 NUKLSYKADVKCDL-IBGZPJMESA-N 432.561 4.759 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1636927854 UOUOFVRXFXTZQI-RTWAWAEBSA-N 430.470 4.878 30 10 IJEE C#C[C@H](NC(=O)CSc1nccn1-c1ccccc1C)c1ccc(Br)cc1 1637658136 DNUSRSCYJAPNCL-SFHVURJKSA-N 440.366 4.526 30 10 IJEE C=CCn1c(SCc2oc3ccccc3c2Br)nnc1-c1cnccn1 1643760555 AOQHTVIPPDMOQN-UHFFFAOYSA-N 428.315 4.722 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(Br)c1F 1646431857 SBBZGTMLXXUZQZ-CYBMUJFWSA-N 433.293 4.915 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@@](C)(O)c2ccccc2)cc1OCC 1657616293 VNPBJKWLNVYWAD-OPAMFIHVSA-N 434.374 4.798 30 10 IJEE C=CCOc1ccccc1CN(CC(=O)Nc1ccccc1C(N)=O)c1ccc(C)c(C)c1 1657745860 OSXIYTYNQGGJDA-UHFFFAOYSA-N 443.547 4.612 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)cc1OC 1657816295 KKORDZDQWOUFEO-HDICACEKSA-N 436.980 4.887 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1OC 1658363304 DHKIQCVSVSHZPV-JOCHJYFZSA-N 426.944 4.861 30 10 IJEE C#Cc1cccc(NC(=O)N[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)c1 1666473725 XULGNMBWVATUFZ-NLFFAJNJSA-N 431.580 4.685 30 10 IJEE C#CCN(C(=O)Nc1ccccc1N1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1667552853 MCKXQMZFCDDFEL-UHFFFAOYSA-N 440.588 4.544 30 10 IJEE CC#CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1Oc1cccc(Br)c1 1670068636 DGILKWPELWQVPZ-HNNXBMFYSA-N 437.721 4.791 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1C[C@H](OCC)[C@]12CCCO2)c1ccc(C(F)(F)F)cc1 1670826521 HHHKIRFTRFOEPA-JTJHWIPRSA-N 426.479 4.739 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)[C@@H]1CCCc2ccccc21 1674413263 UDZFTLYNIIZYGT-YADHBBJMSA-N 437.584 4.641 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4cc(Br)cc(C)c4C3)cc21 1675095701 NHAOYUJMXOJUSI-UHFFFAOYSA-N 425.330 4.883 30 10 IJEE CCOC(=O)c1c(NC(=O)N2CC=C(c3cccc4ccccc34)C2)c(C#N)cn1CC 1678537039 FHQWWLKDKYPOML-UHFFFAOYSA-N 428.492 4.641 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1)c1ccccc1 1679190497 LHRHRXXXXJEMON-HSZRJFAPSA-N 429.520 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1679529297 WAKAVBOSJFHDSM-GOSISDBHSA-N 429.351 4.842 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1684166140 UONTWCNMQFKMQD-QFIPXVFZSA-N 445.991 4.525 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1689877341 WTWCIWSOQWTMHR-KAOXLYBCSA-N 436.600 4.557 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1689900492 GNTFHMUKYMGDDS-JOCHJYFZSA-N 442.554 4.747 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(F)c1 1690036912 GILZYJRMEZQCLF-LJQANCHMSA-N 446.595 4.976 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@H](C)C1 1690036929 GRNFTXNMZAMHCU-JKSUJKDBSA-N 431.403 4.668 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1690068862 DAFNTSFEABUCKX-REWPJTCUSA-N 433.625 4.858 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)Cc1cccs1 1690098227 ALAQKXZDXQCDPW-IBGZPJMESA-N 445.592 4.520 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H](C)c1ccco1 1690156515 XKIOLPDPXBKJEN-SJORKVTESA-N 428.533 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2c(CC)nn(C)c2CC)CC1 1690402814 QTAWSUKEKKUBKD-UHFFFAOYSA-N 439.007 4.908 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2cn(CCCC)nc2C)CC1 1690406961 ZNHLLJPJGAOPJH-UHFFFAOYSA-N 434.588 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690435074 QEMJLTRMZUUDTG-QIDMFYOTSA-N 429.008 4.722 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690474189 VDAQQOUNARSEOS-HOTGVXAUSA-N 449.368 4.676 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1690483764 WEOZWKPUQMOBDO-SFTDATJTSA-N 426.561 4.845 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC(C)(C)C)CC1 1690500393 UDIWWOWJERXAEU-UHFFFAOYSA-N 432.996 4.975 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1690555875 GKZRJPQRIAZDEV-NBGIEHNGSA-N 425.621 4.552 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1nc(C)c(C)s1 1690565384 INWWFXFYGRKRNP-UHFFFAOYSA-N 430.581 4.578 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1CCC(F)(F)CC1 1690601761 BNBBEFVXGQKAPW-UHFFFAOYSA-N 440.542 4.739 30 10 IJEE C[C@H]1CC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)C[C@H](C)O1 1693589939 CXYHQOHKIQKLEV-MOXQZVSFSA-N 443.636 4.530 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1695622557 DINBTKHARKTVDP-AVRDEDQJSA-N 447.612 4.557 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1cccs1 1705511244 MTGRDOYIKHHGCH-UHFFFAOYSA-N 432.391 4.927 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1705667007 ZTZGOHWWGODICB-WIYYLYMNSA-N 428.577 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccncc1Cl 1705670912 NUONFUGBHUGPIL-OAQYLSRUSA-N 430.314 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCCN1CCCCC1 1705676968 WJFYITFVJWRXOX-HHHXNRCGSA-N 433.644 4.712 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705682531 CPVLQAODLSYIMU-GOEBONIOSA-N 436.785 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CCC1 1705697254 KNOPGNFYQCMAOM-QUCCMNQESA-N 432.515 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705720949 SWCWZEQPWDSOLV-SSGKUCQKSA-N 445.696 4.967 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(Br)c1 1705728790 XFVRUIJSSUUSBG-OAHLLOKOSA-N 435.276 4.804 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 1705766618 HUDYYQJMTYXCDG-UHFFFAOYSA-N 434.544 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1705787132 IQSOIXIMCMKHBU-ZWKOTPCHSA-N 444.023 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC2CC2)CC1 1705793694 GWSWIHUIIFYEBQ-UHFFFAOYSA-N 429.634 4.632 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1705799669 CQQBIQVDNAXRDX-OAQYLSRUSA-N 430.556 4.932 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1705800812 KGNQPYPNXOVQCR-UHFFFAOYSA-N 448.571 4.761 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1705851023 RFVFUYHCMCSSNT-GOSISDBHSA-N 439.604 4.911 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCOc1ccc(F)c(Cl)c1)C1CC1 1705853268 VEEWXOQLSFUCNR-UHFFFAOYSA-N 427.911 4.675 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1Cc1c(C)nn(C)c1C 1705856664 AORAKTMXFIUYHJ-UHFFFAOYSA-N 434.588 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1c(C)noc1C 1705866142 IOJWPGPXIHONGH-VQIMIIECSA-N 441.601 4.835 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC=CCO1 1705869838 GTQFDXQTDCSKIJ-HXUWFJFHSA-N 433.581 4.901 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1705883561 MSEXSLDCRKVLRJ-TZIWHRDSSA-N 441.620 4.517 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)nc(N2CCCC2)c1 1709729947 GJYVKYDRTXQMFX-UHFFFAOYSA-N 443.599 4.795 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)Oc1cccc(C)c1 1722347237 XLPATMMGJLYZAJ-HNNXBMFYSA-N 445.386 4.614 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N(C)CC1CC(F)C1 1722489228 HJYVILUYOMGRDT-UHFFFAOYSA-N 437.357 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](c1ccc(C)cc1)N(C)C 1722515113 OPYPEUMMEIYMOS-JOCHJYFZSA-N 438.645 4.648 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(CCOC2)C1 1722601890 LZZAFPNFMJWTIU-NRFANRHFSA-N 449.368 4.820 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)CCC)C1 1722717134 FACAAOQNVLRNLR-SQJMNOBHSA-N 426.605 4.575 30 10 IJEE CN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(Br)cs1 1729455454 GBSKEWXBVITNKY-UHFFFAOYSA-N 428.359 4.535 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1CC1CC(F)(F)C1 1730335029 GOSOOBGMNIKZIT-UHFFFAOYSA-N 447.555 4.754 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccoc1C 1740581701 CMIPYFAXYFTGSM-UHFFFAOYSA-N 427.346 4.967 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](COCC)C1 1740583990 BRXMAAOWNLFBHJ-JOCHJYFZSA-N 431.584 4.629 30 10 IJEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1740586753 MGWJICVOOUGEQJ-MRXNPFEDSA-N 437.569 4.612 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1740711320 LYWOKEHNVORZER-RBUKOAKNSA-N 436.547 4.965 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1740758256 VNZWMQZNBPRFIV-XLIONFOSSA-N 445.489 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1ccc(OC(C)(C)C)nc1 1740770927 LPJKPHANBVVLAK-UHFFFAOYSA-N 435.572 4.977 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1740906491 HOPLBWIVDXRKRD-AWEZNQCLSA-N 429.298 4.831 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)cc1SC 1740938211 AANOJZMNHQWYEN-UHFFFAOYSA-N 444.004 4.711 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1741005432 XMQUNXCKRRZGNW-HZPDHXFCSA-N 439.050 4.757 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1748751384 VSKCWBLWVMLRBC-PWRODBHTSA-N 443.636 4.821 30 10 IJEE C=CC[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(C)C)c1ccccc1 1749385123 NFDBNEVSMNNWDI-JOCHJYFZSA-N 428.584 4.969 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1nccs1)c1ccccc1 1749385736 UFGKHXTXGRNRIY-HXUWFJFHSA-N 430.581 4.717 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1749434144 JEDTXMUPUBLBKC-OAQYLSRUSA-N 434.588 4.687 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cn2ccc(C)cc2n1 1749499271 DTNNKGUJZHVGEI-UHFFFAOYSA-N 444.583 4.916 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1Cc1cnc(C)s1 1749530159 TUGSBNWDLRFWRU-OAQYLSRUSA-N 439.585 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](SC)C(C)(C)C 1749551345 XAXQADPHGBENLG-GOSISDBHSA-N 428.631 4.767 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@H]1C 1749586109 MCFXUWZFBJIMTE-CVEARBPZSA-N 444.377 4.530 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccc(OC)cc1C(F)(F)F 1749599999 PDSRMDYTPQPDSW-UHFFFAOYSA-N 440.510 4.581 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nccs2)C1 1751276227 GJNULQRWECUSFD-FQEVSTJZSA-N 445.017 4.859 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760099510 HSTSUQNNBIYOAU-UYAOXDASSA-N 439.604 4.581 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCN(CC)C1 1760105858 HNZPAEYBWXUXMU-QZTJIDSGSA-N 437.588 4.612 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CCC1(F)CCC1 1760243302 FKFWAEFGIVIUMC-UHFFFAOYSA-N 441.551 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760409935 NIZGESVZRIBZNW-GOSISDBHSA-N 442.007 4.792 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1csc(-c2ccco2)n1 1760456021 FLYUZTRSHFMIMY-OAHLLOKOSA-N 439.516 4.944 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC 1760481511 YHEVYDIWFBJZAW-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC=C 1760486113 DBWVWWNXHXHVSL-GOSISDBHSA-N 443.617 4.833 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(OC)CCC(C)CC1 1760502600 FSHNTZBOZHEMGC-UHFFFAOYSA-N 437.588 4.661 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760506476 AGNVGVXBEIWUDF-UZLBHIALSA-N 432.515 4.874 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760531870 COGCNHIJQBQVOS-QFIPXVFZSA-N 447.583 4.737 30 10 IJEE CCOc1cccc(CCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)c1 1859656985 MLYYRLDHIQAREQ-UHFFFAOYSA-N 425.492 4.571 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 1860734601 HOWVXDXRYAINMQ-PINVMFLYSA-N 433.548 4.797 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1862234146 NGUFTWWRJUDGJP-XPGGBCAFSA-N 432.564 4.764 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1862384271 QJLWMNNVTQKYKG-QGZVFWFLSA-N 434.275 4.678 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C 1862430011 ZXQXSMGCWJMJSQ-QFIPXVFZSA-N 440.971 4.959 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862568864 ZZQYUHGKFWRMFV-DEOSSOPVSA-N 440.499 4.612 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862741208 MYVZYLFARUEBJC-IBGZPJMESA-N 426.856 4.769 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1ccncc1 1870464838 AJQKPFKYOOGOPR-UHFFFAOYSA-N 429.564 4.607 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc(C)c(F)c2)cc1=O 1870813752 AKHVMVYEZPJQTD-UHFFFAOYSA-N 438.499 4.560 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1871005501 IXNDDCAVDGGGPQ-UHFFFAOYSA-N 442.437 4.614 30 10 IJEE Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1[N+](=O)[O-] 1871374872 HHFMCYKXLRFKNL-FMCGGJTJSA-N 444.443 4.805 30 10 IJEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3cccnc3)C4=O)cc2nc1C 1871378984 KZEJYKAKOYCLQR-KSEXSDGBSA-N 437.455 4.785 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1cccc(OC)c1OC)C2=O)C(=O)O 1871422996 LPLVFTWOWCMEAK-PQDCBLBRSA-N 426.465 4.651 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)o1 1871438976 BDTYBQRQMKJBLQ-UUYOSTAYSA-N 434.444 4.969 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCCCC)cc1)[C@H](C)CC)S(=O)(=O)CC 1872175822 WXNDHRJZMLPTAN-DENIHFKCSA-N 438.634 4.837 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763655 RISDAZMSHDWGBL-QGZVFWFLSA-N 435.461 4.538 30 10 IJEE C=CCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276586 ONXDMUYFVLHYSG-UHFFFAOYSA-N 440.499 4.749 30 10 IJEE CCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421627 IHZMWDDRWVFOEG-UHFFFAOYSA-N 438.531 4.958 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1cc(Cl)cc(Cl)c1 1873527854 URSCBMOEGKMJBO-UHFFFAOYSA-N 428.344 4.932 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874266663 IFIDVNCYRDAEFW-SSDVNMTOSA-N 443.916 4.969 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccn1C 1874295984 DOUMKYBCBASNCA-BUVRLJJBSA-N 446.536 4.599 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874327442 NXXVSLWSCIHFJS-FSJBWODESA-N 437.525 4.933 30 10 IJEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874403918 ZIHCIQKLCRCKAS-HYARGMPZSA-N 443.370 4.692 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874405317 RRYHUZIYWXNLII-BUVRLJJBSA-N 448.036 4.897 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c1 1874465727 YITPWVOCHACODU-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE Cc1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874481281 RAHWFGWXOYWEEH-WSDLNYQXSA-N 425.514 4.672 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(C)c2)cc1 1874487776 RGSUBIQGFWRQDL-MFKUBSTISA-N 435.597 4.960 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2F)c(C)c1 1874498399 HAEUWISXDVRAOS-DHRITJCHSA-N 437.544 4.915 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874510947 CHOJDACNNHFHOF-CIRUFVMISA-N 446.580 4.564 30 10 IJEE CCc1nnc(S)n1/N=C/c1ccc(OC)c(OCc2ccc(Cl)c(Cl)c2)c1 1874557590 QTCQVXYKKVYCJN-LSHDLFTRSA-N 437.352 4.906 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1OCC(=O)NCc1ccccc1 1874581360 JUSWOCNJUPBZCU-WYMLVPIESA-N 433.479 4.734 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCCO)c(Br)c2)c(OCC)c1 1874631938 CDTCBZCWIUDKIP-WEVVVXLNSA-N 435.314 4.514 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)c(OC)c1 1874633313 WPFMTAGEQZJLCE-NTEUORMPSA-N 442.471 4.828 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](C[C@H]1CCCO1)NC(=O)OC(C)(C)C 1926782669 RWEQTRFRXLYJDW-VJBWXMMDSA-N 432.605 4.590 30 10 IJEE CC#CCCCC[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2019511990 ZTCPGOWFMDXTNV-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 2089289188 NYEBIZCWLVDGIZ-DLBZAZTESA-N 443.813 4.930 30 10 IJEE CCCN(c1cc(Br)cc(F)c1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2118198196 DEUPWBVLDAXYDQ-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CO[C@@H](C(F)(F)F)C1 2129096039 HUOZKSYFALMYRG-CJNGLKHVSA-N 435.240 4.804 30 10 IJEE N#Cc1cc(Br)ccc1N[C@@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156285921 VUKREBCPQGGNJC-UNMCSNQZSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@@H]2CCCC[C@@H]21 2174814693 KKTZORQQAKEFLG-SJORKVTESA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(C#N)cc2Br)CC1(C)C 2181112114 LZLVWVAXKUCOOT-CQSZACIVSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1 2181148716 ZULRZWSEKBPQBO-ZFWWWQNUSA-N 436.350 4.733 30 10 IJEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1ccc(N)c2cc(Br)cnc12 2202054737 GYKDAHCHSMMGKG-CYBMUJFWSA-N 436.350 4.675 30 10 IJEE N[C@H](C#Cc1ccc(Cl)cc1)c1ccc(Br)cc1I 2231092924 ZWKGYXINPMPSGI-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@@H](O)C#Cc2ccccc2Br)CC1 2235739269 GWITWYDIFWFWOC-JGCRXCKMSA-N 440.353 4.585 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](O)C#Cc3ccccc3Br)CCC[C@@H]12 2235742058 WOLQRIHBAYBOKM-WOIUINJBSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)C#Cc1ccccc1Cl 2245958509 RBRBSXLDUZEDNZ-FQEVSTJZSA-N 427.928 4.761 30 10 IJEE CCN[C@@H](CC#CC(C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248463426 QBMSDWUKKVONFR-QFIPXVFZSA-N 428.617 4.858 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2249358273 VVJQWHSRJKNDRQ-SOIMTFEMSA-N 437.625 4.519 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2255609743 WAZOXFSICNKSMK-WOZUAGRISA-N 427.394 4.701 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267572182 RVFYUQVOOALAQZ-LBDAMEBMSA-N 438.421 4.513 30 10 IJEE C=CCN(CC[C@H](Cc1c(F)cccc1Br)NCC)C(=O)OC(C)(C)C 2273815492 LLZREEHDWXTONP-OAHLLOKOSA-N 429.374 4.922 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2cccc(Cl)c2Br)C3)OC1(C)C 2283201401 CTTSISHSOHPIHQ-HXPMCKFVSA-N 440.574 4.801 30 10 IJEE CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1cccc(C(=O)O)c1 2293838586 FNGNVAVBZHWYQI-UHFFFAOYSA-N 431.311 4.771 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](O)(C#Cc2cccc(Br)c2)C[C@H]1C1CCC1 2296231379 CQTFQGFXIFETCJ-SIKLNZKXSA-N 434.374 4.731 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@@H](O)C#Cc1ccc(Br)cc1 2296277837 XFFWYSHGCYNBGR-SFHVURJKSA-N 432.314 4.890 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2296291000 JSIWVURYYRQYPR-CVEARBPZSA-N 449.311 4.577 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2296296498 OSIAGDOPCMOPHR-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](N)C#Cc1ccc(Br)cc1 2296297306 XLSDKEKAJMICLM-PMACEKPBSA-N 435.406 4.992 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296300071 CNCHOTUMOQDXDM-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2cccs2)[C@@H]1c1ccc(C(C)(C)C)cc1 2296601174 AUBOCHNEOREIQI-NRFANRHFSA-N 440.609 4.809 30 10 IJEE CSC1(C#CC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)CCC1 2299666553 AVTKODORQROJEV-DEOSSOPVSA-N 443.609 4.689 30 10 IJEE CN[C@@H](C#CC1(SC)CC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2314651280 FBFDDGDRUXKXFG-INIZCTEOSA-N 425.392 4.956 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c1 2323222503 HCOOIXKOCAPMMC-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2324233722 PISIYHXBFKVCRR-UHFFFAOYSA-N 443.499 4.799 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1 2324464575 MXFRUNOBZWPGCL-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)c(O)c2)c1 2325471687 XFNFIOSVZXAKJU-UHFFFAOYSA-N 430.533 4.763 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)ccc3C2=O)c1 2325738490 VNYNWDMGUNDRGR-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1 2325745697 LQDPMKGEYVNLNF-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE Cc1ccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SCCCO)cc1 2326091682 UQDGSHYGNUAXKZ-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(F)cc1F 2328687896 DHUGHUSHMVRTNV-UHFFFAOYSA-N 428.508 4.901 30 10 IJEE CCSc1nnc(COc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329904092 FIFSXZYFTXZJEW-UHFFFAOYSA-N 426.542 4.647 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccc(F)cc1)NC1CCCCC1 2330678633 GIAAVPWGDALQNM-UHFFFAOYSA-N 437.544 4.507 30 10 IJEE COc1cccc(C=Nn2c(SC)nnc2[C@@H]2CCCO2)c1OCc1cccc(C)c1 2330881519 LQJYJWBKZWZNQJ-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccncc1 2331175812 AHDBUSNBUYKFDF-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331364676 VXPPMEGPNCOFAF-UHFFFAOYSA-N 439.464 4.912 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2sccc2C)c1 2331376746 OYDHIYRYGDZIIP-UHFFFAOYSA-N 427.599 4.867 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(O)cc2)c(C)c1 2331416665 NYEGMONKJHYKHO-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2339579446 WNPMEGIAJSSCAE-IBGZPJMESA-N 443.397 4.562 30 10 IJEE N[C@@H](C#Cc1cccc(Br)c1)c1ccc(Cl)cc1I 2340054140 JOWVHDUDAPCASV-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CC#CCN(CC(=O)Nc1ccc(C(F)(F)F)c(Br)c1)C(=O)OC(C)(C)C 2370045881 ISYVNBDFCNBJEW-UHFFFAOYSA-N 449.267 4.667 30 10 IJEE CN(C)c1ccc(C(=N/N=c2/sc3ccccc3n2C)c2ccc(N(C)C)cc2)cc1 2051114 XUDYTWZYOMPFFI-IMVLJIQESA-N 429.593 4.725 30 10 IJEE N#Cc1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccc(Cl)cc4)c(=O)n2C3)c1 4237131 PEZUTJCKVBQPHZ-PKOBYXMFSA-N 444.922 4.692 30 10 IJEE COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SCC(C)C)[nH]c(=O)c21 9608762 XHRCAWLXWRUXRJ-SFHVURJKSA-N 439.581 4.727 30 10 IJEE N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)oc1NC1CCCCC1 12421213 NVTSZLZZLQRNIE-UHFFFAOYSA-N 428.558 4.523 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 21220840 OMIQNTOFRRIBLQ-DOTOQJQBSA-N 440.883 4.651 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2)c1C 32973258 ULDXIOMFNRNRGS-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2/C=C\c2ccccc2)s1 35568256 RKGFURCYSIVVPP-CLEWGBKMSA-N 430.529 4.879 30 10 IJEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(F)cc1 35809365 HVKFERGLLGESPJ-UHFFFAOYSA-N 434.511 4.627 30 10 IJEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C 40219857 FMWLQUFQSIDQCH-UHFFFAOYSA-N 440.632 4.582 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)c1 41654826 XGKZVAVMHJJJQP-MXAYSNPKSA-N 443.499 4.981 30 10 IJEE COc1cc(/C=C2\S/C(=N/N=C\c3ccccc3C)N(Cc3ccco3)C2=O)ccc1O 47138593 GBIWMSSXTFTBTP-QJTAZGBISA-N 447.516 4.809 30 10 IJEE CN(/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1 59166104 BIESENIHCRBUSK-DAFNUICNSA-N 438.300 4.976 30 10 IJEE CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 90730426 VVERZOUHKSVKBZ-UHFFFAOYSA-N 425.834 4.715 30 10 IJEE Cc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(C)cc3C)C(=O)c3ccccc32)cc1 103746233 LAFQJHNVUPFAFW-SLEBQGDGSA-N 430.529 4.982 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2sc3ccccc3c2Cl)cc1 109889893 GIQGJNIVZFUVBG-HNNXBMFYSA-N 427.938 4.580 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928914 QJWQEHXUUJRGGH-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(F)c2)c1 169929139 YLDWHAPVJIWQQM-IBGZPJMESA-N 438.480 4.691 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 169964648 UCSSAFBBBHHPEO-XMMPIXPASA-N 431.463 4.629 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCN(C)CC2)C1=O 170000763 IMGPGFYHKZNIJP-UHFFFAOYSA-N 439.644 4.771 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)s1 170041175 ROOKWPPZTJMLOO-SFHVURJKSA-N 440.908 4.902 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC(=O)O)cc3)[C@H]2c2ccccc2)cc1C 170052977 UBSIVDDOOXAVBJ-DEOSSOPVSA-N 441.483 4.713 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccco2)cc1C 170099163 ZMIZALMPDHNWEG-FQEVSTJZSA-N 431.423 4.695 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103187 DMCGYNGHVGAHND-OAQYLSRUSA-N 427.460 4.864 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(C)[nH]c2ccccc12 170104308 GXPZUEQTHXAFDA-HSZRJFAPSA-N 432.520 4.708 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(C)c2)cc1C 170143596 IVTCFFZSMBPOFB-QPPBQGQZSA-N 449.547 4.850 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1C 170193004 AOVOLCFLUJKLDJ-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170241701 HWWXMWFLXGLLGM-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2F)cc1C 170250997 DAPMTCJWWZWBLI-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccc(N(C)C)cc3)[nH]c2cc1C 170447271 ZJDJBNCZUKKRHS-OAQYLSRUSA-N 446.551 4.761 30 10 IJEE C=CCOc1ccccc1-c1cc(-c2ccc(O)c(OC)c2)nc(N2CC[C@@H](N(C)C)C2)c1 248091022 FOFFGLKBYXXIHZ-OAQYLSRUSA-N 445.563 4.835 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)SC1=Nc1cc(Cl)ccc1OC 252635570 WYXYTOKLEOVIAK-IBGZPJMESA-N 443.956 4.803 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2sc(C)c(C)c2c1=O 253592716 XTRHEEIUGDFAEQ-MWIANEHASA-N 445.654 4.682 30 10 IJEE Cc1cc(C)c(NN=C2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c(C)c1 254847053 WDWREBYNPWMIRY-UHFFFAOYSA-N 427.464 4.739 30 10 IJEE CC1(C)OB(c2ccc(COc3cc(Br)cc(F)c3F)cc2)OC1(C)C 312805115 RFSXZDSRXULULT-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2cc(OC)c(F)cc2C1 460537976 GHQSKNULFKWNNA-MRXNPFEDSA-N 440.494 4.844 30 10 IJEE N#C[C@@H](C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 500453106 UYRSQTHVRXITCD-WMZOPIPTSA-N 433.533 4.660 30 10 IJEE COc1ccc(OC)c([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606647 HYYCYFRBUOTVCD-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE Cn1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c1Br 712434285 LAUSGISQKBLTNT-CQSZACIVSA-N 425.714 4.842 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)s1 739595234 GOTJPSVFIKPUIB-UHFFFAOYSA-N 432.505 4.725 30 10 IJEE COCCOc1cc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1OC 740434850 HRUWADWQGJRUMN-UHFFFAOYSA-N 437.521 4.642 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)NC3CCN(c4ccccc4C#N)CC3)c(C)c2c1 749531205 UDDDOTPNYCWQCN-UHFFFAOYSA-N 429.520 4.533 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC(c3ccncc3)CC2)c1=S 762097499 AYNRFVUZMWEHNH-UHFFFAOYSA-N 435.597 4.720 30 10 IJEE COC(=O)[C@](C)(NCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)c(Cl)c1 775743834 LUQAKYYFGYDWEP-LJQANCHMSA-N 427.715 4.727 30 10 IJEE N#CC[C@@H](CC(=O)OCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccccc1 795990860 MJOFNYPJWLROGG-JYFHCDHNSA-N 438.527 4.791 30 10 IJEE COc1cc(C=NNc2ccc(C#N)cc2C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F 799492635 SPNDSVJJGKKBLA-UHFFFAOYSA-N 444.316 4.584 30 10 IJEE Cc1cc(C)c(Cn2c(-c3cnccn3)csc2=Nc2ccc(C#N)c(Cl)c2)c(O)n1 803193634 CUDBWUUXUVMVTH-UHFFFAOYSA-N 448.939 4.530 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1)c1ccc(Cl)cc1 811958554 CZAVMCYOHWACQI-FQEVSTJZSA-N 442.943 4.629 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 829354494 RCHNBGZJNFRCPI-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(F)cc1 916211252 NBNFBULUTQKWHC-FQEVSTJZSA-N 441.528 4.761 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccs2)n1)N(C1CCCCC1)C1CCCCC1 1084514041 ZZQUDYQEPCAHLH-UHFFFAOYSA-N 446.646 4.898 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1 1084588493 FBLIBHJBHDEHOV-RACXCZOESA-N 426.933 4.690 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1OC 1124269789 UMTCOCULLHNUFN-IZUALYBUSA-N 440.609 4.924 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CO[C@H]4CCC[C@@H](C)C4)c3)cc2C1=O 1125502483 NYRLFTRNNZZERZ-UTKZUKDTSA-N 432.520 4.816 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3cccc(Cl)c3)ns2)CCCN1C(=O)OC(C)(C)C 1125544174 WCXWWORQKLGVOQ-NRFANRHFSA-N 446.960 4.590 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)Cc3ccccc3O[C@@H]3CCOC3)cc2F)c1 1125772804 CQLWRCZSJUFHJH-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)c1 1125779687 ZDIXQWAOHHSTJB-UHFFFAOYSA-N 429.541 4.841 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2ccc(C(=O)NC3CC3)cc2)c1 1126177581 HVSQKNBMDUJUQG-UHFFFAOYSA-N 429.907 4.951 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCC2(c3ccccc3Br)CC2)cc1OC 1126446847 YCIGQTZVYAPICV-LUAWRHEFSA-N 442.353 4.884 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC2(c3cccc(F)c3)CCC2)nnc1-c1ccco1 1130234766 ODUJWQHQVNUEPY-UHFFFAOYSA-N 426.517 4.541 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 1142217062 WGRUVKDZVLGTHH-QUCCMNQESA-N 432.561 4.741 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CCCC1(C)C 1156189675 CLLLSNKXHHRCGW-NRFANRHFSA-N 448.535 4.973 30 10 IJEE C=CCn1cc2ccc(NC(=O)CSc3nnc(-c4ccccc4C)n3CC)cc2n1 1156690989 WOCRQUAXTSSZAW-UHFFFAOYSA-N 432.553 4.540 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@]1(c2ccc(OCC)cc2)CC1(Cl)Cl 1157501835 PKNNQMRQFMWYRA-OAQYLSRUSA-N 438.351 4.591 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1nc(Cc2ccccc2Br)cs1 1216109964 DTDZYFDCNKVBLC-RHSMWYFYSA-N 436.375 4.599 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](Cc2ccccc2)c2ccccn2)cc(OC)c1OC 1225351015 SJXXURRHSHEYMT-HSZRJFAPSA-N 431.536 4.611 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286589963 NDKUDNNCFZMBGZ-UHFFFAOYSA-N 439.604 4.876 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1286591743 BAIOCFQBTVXJDH-LEWJYISDSA-N 437.588 4.569 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(N(C)C)CCCCC2)CC1 1286650758 IRTIRIXVTFQQQC-NHCUHLMSSA-N 429.653 4.618 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1286694147 MEWVCMMWKXUXBQ-QGZVFWFLSA-N 425.499 4.523 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286707097 BCTZVPDSYMWOHV-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@H](CC(C)C)C2)cc1 1286796856 PCPOKZMUJQTHKT-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](OC)C(C)(C)C)C1 1286800490 LVDUBEBQLNXKJP-YPAWHYETSA-N 426.605 4.662 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286835650 ABWIKDJRENHGLQ-OTWHNJEPSA-N 449.665 4.593 30 10 IJEE CC(C)C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1287330337 ATNCFTRNPPZSOG-URXFXBBRSA-N 443.039 4.629 30 10 IJEE C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1288575881 BECOMTFJQQWYLU-UUOWRZLLSA-N 444.624 4.569 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H]2CCCCO2)c1 1289334853 BZWNEPSDOVJGPJ-PXDATVDWSA-N 437.588 4.563 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(COc3ccccc3)c2C)c1 1294488494 WMLFFYAQJRQAFR-UHFFFAOYSA-N 433.529 4.623 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C)CCCC1 1296872360 CAZRNDMZHSWTEK-RUZDIDTESA-N 437.588 4.966 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(F)c(F)cc3N3CCCCC3)n[nH]2)c1C 1298716140 FEMIGYGRWRJAED-UHFFFAOYSA-N 440.498 4.597 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)C(=O)OC(C)(C)C 1300282685 PVHCIMUPRSOKDA-GOSISDBHSA-N 439.604 4.567 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)noc1C 1300602861 VCDYQEJZCGHZQW-GOSISDBHSA-N 441.963 4.801 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCCC[C@@H]1CC 1300642191 HXLNENFQRJNUSW-QHCPKHFHSA-N 449.574 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cccnc1 1300789826 AKJXTVKXBCCIDI-JOCHJYFZSA-N 426.351 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1300890473 GYTDZIJBOJYJIY-CWDLOFLHSA-N 433.600 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1OCC[C@H]1C 1300906768 SVFZFVKOCOJJBY-AUSIDOKSSA-N 436.556 4.945 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301194515 LGKJTFITKFLAGO-QFIPXVFZSA-N 438.616 4.560 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301208532 YKQPSPCOABUTLO-SFHVURJKSA-N 429.565 4.648 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1301299949 YREKHOPKZCBHMN-UHFFFAOYSA-N 445.329 4.633 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1C[C@H](C)CN1CCCC1 1301351408 SEFVJQCLGONRBI-HXUWFJFHSA-N 425.596 4.999 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301611805 RKZZACAMPPPVAA-QHCPKHFHSA-N 432.609 4.569 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)cc2n1 1304007049 PLMCDAZTYZYRTM-HHHXNRCGSA-N 446.370 4.511 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)c3cccc(Cl)c3Cl)cc2)nc1 1310212861 CIBCWOSRXZYBMV-SFHVURJKSA-N 443.290 4.907 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1)c1ccc(F)cc1 1312935063 WELFQACPVQTTHU-RBUKOAKNSA-N 433.346 4.839 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(C(=O)OCC)c1C 1349733842 KYYGLKYJGOGHKP-UHFFFAOYSA-N 440.521 4.630 30 10 IJEE CCOC(=O)Nc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c(Cl)c1 1357457725 AKNUPWZWSMUMDY-UHFFFAOYSA-N 444.278 4.871 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCOc1ccc(Br)cc1 1357479701 ILVLJPNDLAEQKJ-UHFFFAOYSA-N 444.247 4.842 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(OC)CCCCC1 1358882689 FVNBYEUVQLAGEK-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(CC#N)CC1 1358907792 BJKFZOAXPAORBC-UHFFFAOYSA-N 435.572 4.674 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1cccs1)N1CCCC1 1358940705 IDZMIUCGVPFJQP-IBGZPJMESA-N 425.989 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1358988633 XMOATGOHAAKNCC-DHIUTWEWSA-N 443.595 4.509 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccsc1 1359013657 HKMKFVISNRACMQ-UHFFFAOYSA-N 435.380 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)C)CC1 1359093619 PVUBRVOMQRIGCM-IFMALSPDSA-N 444.023 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1SC 1359101012 JDOBDYHQYUKPFD-YKSBVNFPSA-N 449.624 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1CSC 1359104622 DLJAJFNMMXVLGX-SSSFQFABSA-N 448.677 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(C)(F)F)cc1 1359107391 LFQFHYQKNFDIIZ-DEOSSOPVSA-N 448.558 4.881 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1359123641 DQMKGWWQIOPQDP-DHIUTWEWSA-N 437.632 4.832 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCN(C)C(C)C)CC1 1359160507 WSPVXIKCWMFSSX-UHFFFAOYSA-N 432.616 4.849 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H](OC)C(F)(F)F)CC1 1359162390 PBPRVLVIZSLFCJ-MRXNPFEDSA-N 432.849 4.861 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CC(C)(C)C2)CC1 1359182437 GPKZRRURJROKRF-BGYRXZFFSA-N 443.636 4.887 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(c2ccccc2CO)CC1 1359187976 CMIJMXUABYAKCC-HSZRJFAPSA-N 438.616 4.998 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccccc1F 1359219365 OSULGMQYHUDREW-MRXNPFEDSA-N 427.549 4.572 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1359251761 VLAUTNKODCBGTH-SFHVURJKSA-N 431.625 4.669 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1(OC)CCC(C)CC1 1359256127 WDDXLKAXDOCZJC-UHFFFAOYSA-N 444.583 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCc1ccccn1 1359268157 FZQADHJUCKHINH-UHFFFAOYSA-N 430.375 4.585 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccco1)N(C)C 1359269860 SDWJTYPNVYEZKD-JOCHJYFZSA-N 430.556 4.511 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1359272983 KHCSQGCOSNPEQV-UPVQGACJSA-N 426.992 4.906 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](CC)C1 1359336897 FFDYJFHDAVDKEZ-IAGOWNOFSA-N 436.622 4.808 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](COC)C1 1359338134 MQZAGSXEIQEQIW-QGZVFWFLSA-N 432.659 4.667 30 10 IJEE C=CCOc1cccnc1C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 1360208998 GAGOJDHSHPCVHH-UHFFFAOYSA-N 429.398 4.783 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccn1 1436571556 ALINZLDLDBOAPX-UHFFFAOYSA-N 431.452 4.740 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C=CCCC2)ccc1Cl 1457719134 DCJHRLHTVHAZQI-GOSISDBHSA-N 430.957 4.560 30 10 IJEE C#C[C@@H](NC(=O)CCc1cccc(F)c1Br)c1ccc(Br)cc1 1460787386 QASVAFDRNKVYIM-MRXNPFEDSA-N 439.122 4.774 30 10 IJEE C=CC[C@H]1CC[C@H](NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 1461570145 BFHJEEJIUMHBQU-GMAHTHKFSA-N 427.633 4.880 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)[C@@H]2CCc3ccccc3C2)c1 1462722802 LHVVFQMFNDENLW-HSZRJFAPSA-N 448.540 4.749 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1 1464256680 RXMKNWZMWNJYIW-IBGZPJMESA-N 436.618 4.509 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 1464963827 ZVDMNALBXBOSNI-HXUWFJFHSA-N 435.996 4.575 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(Cl)cc1 1466850173 YLGPVHPKHQUNJV-CZUORRHYSA-N 429.757 4.664 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnc(-c2ccccc2Br)s1 1467932445 MGSLSUVYXPSQAL-UHFFFAOYSA-N 447.354 4.876 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 1470490550 JTJAWBXVNNVQGO-OAQYLSRUSA-N 446.551 4.822 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C)c1)c1ccc(Cl)cc1 1475960042 NFVXRHGWVAPOOV-NRFANRHFSA-N 436.899 4.507 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)c1ccc(Br)cc1 1478023484 KKGMJJJVJXAUFD-ILWGZMRPSA-N 441.369 4.899 30 10 IJEE CN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1478219695 CBRUZNQCZKZCID-VZKWCCSDSA-N 448.567 4.531 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1cc(Cl)cc2c1OCC2)c1ccc(Br)cc1 1478897302 XQNZASQOBDFNCI-SGTLLEGYSA-N 433.733 4.772 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCC(C)CC1 1507682095 JMLOJHSZPBFNSQ-UHFFFAOYSA-N 431.987 4.709 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@H]1CCCCO1 1507764259 KWOPAYXIMSVKAB-VVZHRXSXSA-N 436.600 4.986 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1Cc1cccc(COCC(F)(F)F)c1 1507768186 MHRGCWJSPPKSMZ-JOCHJYFZSA-N 432.490 4.665 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1507853835 FSDHVEYGJSKDLJ-SFHVURJKSA-N 449.521 4.689 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507871043 PAOMWCXAORKRFC-RHSMWYFYSA-N 428.886 4.861 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2snnc2C)CC1 1507897655 QGGYBSIYPHSBKN-UHFFFAOYSA-N 435.384 4.863 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCCC1(C)C 1507974323 AITZKLTUZUEWSK-RUZDIDTESA-N 426.605 4.933 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCc1cc2ccccc2o1 1508006105 IJOXKIUDUDJXEK-UHFFFAOYSA-N 449.580 4.659 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cccc(C(C)(C)O)c1 1508006949 OIURVVADQRWAFY-UHFFFAOYSA-N 445.592 4.870 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc2c(n1)CCCC2 1508020119 HENRGODNOJQXLS-UHFFFAOYSA-N 443.595 4.974 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cl)=C(Cl)C1 1508152068 RXDLXGWAWNVNAS-UHFFFAOYSA-N 430.792 4.812 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccco1 1509295575 AYYWXPWQFGRIDO-UHFFFAOYSA-N 429.528 4.743 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C)nc2)c1 1510703995 BSUFTMVLQUHBQY-HXUWFJFHSA-N 432.572 4.779 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)CC[C@@H]1C)CCC(F)(F)F 1515719078 GLDMXXRPYDDVDD-MSOLQXFVSA-N 448.537 4.716 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1=O 1519602680 IPSIZSRMRLATRO-VQTJNVASSA-N 432.948 4.558 30 10 IJEE C=CCN(C(=O)c1sc(-c2cccs2)nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1522168227 VPXWZWJGJVAUKJ-GOSISDBHSA-N 440.590 4.983 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1526560134 HCKAIRZPDHRFCX-KUHUBIRLSA-N 443.462 4.830 30 10 IJEE C=CCOCCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 1532369643 TYJAKOBBMDZLFK-XYUDRNGQSA-N 427.429 4.818 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1 1534343968 KYQWUKLUQFVHBK-TZIWHRDSSA-N 442.506 4.964 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C(C)(C)C)cc1 1537697906 VTEMXJQDBRUYIT-QHCPKHFHSA-N 444.522 4.924 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1 1537739546 OUYRZNLABHRDLI-QHCPKHFHSA-N 442.600 4.678 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)NCc3ccsc3Br)c2)c1 1538216387 CIDWQYZYRWABRV-UHFFFAOYSA-N 427.323 4.891 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1538618713 OESPCVHQBFMTBN-HXUWFJFHSA-N 430.342 4.560 30 10 IJEE C#CC[C@@]1(C(=O)OCc2cc(Cl)ccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1538778594 ZGGMKDMEDNGWFN-NRFANRHFSA-N 443.874 4.778 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@]1(C)C#C 1539056027 QHKUDXLQELVBNP-OAQYLSRUSA-N 429.337 4.642 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(OC(C)C)CC1 1539104613 MKAJKUKXQDGGEB-UHFFFAOYSA-N 440.588 4.548 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(F)c(Br)cc2C)CCCN1C(=O)OC(C)(C)C 1539228830 GWMCFXJWDZWLPY-FQEVSTJZSA-N 439.325 4.628 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCc1cccc(C)n1 1539357415 KHXSPCUAGXSUFW-UHFFFAOYSA-N 438.373 4.503 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1539371209 QQFFVJFOECGOTE-CABCVRRESA-N 426.433 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1539628488 QDCHYFIYSKOLAY-APWZRJJASA-N 438.469 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCC[C@H](O)C1 1539677492 FEXJUMZIDKWYBQ-OALUTQOASA-N 430.618 4.533 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1539811501 FYNUJZMTDUBYJB-UHFFFAOYSA-N 428.005 4.626 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCS2)CC1 1539840204 NSYZQNQORRUPPB-MRXNPFEDSA-N 449.418 4.768 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1539842509 LQMHKOFWPWSHKF-UHFFFAOYSA-N 443.473 4.946 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC=C(Br)C1)c1ccccc1 1539939610 JGRKPMACRDEIRL-RTBURBONSA-N 443.389 4.631 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccccc1 1539949304 XFRPJNWZGXAROO-NZQKXSOJSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1539963653 ZYGMMBOKAHMMKH-LJQANCHMSA-N 431.378 4.852 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1540128246 ZLPODQIEWRJTIG-IBGZPJMESA-N 427.593 4.850 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1C[C@@H](F)c1ccc(Br)cc1 1540181988 FAYBXPUWZQSLKF-LJQANCHMSA-N 433.325 4.888 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1540920294 UIMIPTNZAAYLIC-HNNXBMFYSA-N 444.498 4.694 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)CCCN1C(=O)OC(C)(C)C 1543879833 IIMHWSDIEYOKGB-DFBJGRDBSA-N 427.589 4.810 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 1544401043 HMSKVAWEOMFXCB-UHFFFAOYSA-N 436.390 4.585 30 10 IJEE CSCC1(CCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 1557421879 ARIQBQJTPBXZOQ-UHFFFAOYSA-N 439.606 4.552 30 10 IJEE C=CCCC[C@@H](NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)c1ccccc1 1558130422 BILMAVYDJBENBX-LJQANCHMSA-N 436.581 4.656 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 1562255409 BQHHRBWBASIXLU-KKSFZXQISA-N 430.911 4.564 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 1562360249 BNYRCYGYBMKIQA-OAQYLSRUSA-N 436.512 4.775 30 10 IJEE C=CC1(CC(=O)NCC(CC)(CC)N[C@H](C)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1565757200 OQTLBILIVDPMGY-HXUWFJFHSA-N 443.632 4.825 30 10 IJEE C=CC1(CC(=O)N2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCCC1 1570325661 SJRVTTBVSUWKTL-LEWJYISDSA-N 434.621 4.824 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)ncc1Br)c1ccc(Cl)cc1F 1584733300 NKUBFUOPXGWHQV-ZDUSSCGKSA-N 446.501 4.503 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](OCC=C)C1 1587705976 KZMTWEAZNOZSTH-XMMPIXPASA-N 443.595 4.937 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(C)nn(C)c1C 1589176913 CHAJDMRQUJVMRT-JOCHJYFZSA-N 443.382 4.643 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(F)(F)C1 1589316598 DVEFVYPSJCZGKQ-LLVKDONJSA-N 443.361 4.885 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccoc1C 1589570920 XKGQPJQEDXJDOU-QPPBQGQZSA-N 436.556 4.685 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1593712271 XAWGYYGTAJSWCD-CALCHBBNSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)c2c(C)noc2C)CC1 1594009435 KKGGZPBHGFPAAE-SFHVURJKSA-N 448.571 4.712 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C)COC2)CC1 1594430064 HHIPZJKXBQWYTM-UHFFFAOYSA-N 437.371 4.603 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCOC[C@H]1C)C1CC1 1595037447 FALIUGJTJCRJOI-UYAOXDASSA-N 440.588 4.568 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCOC1 1595179090 XKXCZNAAQHNXPO-IBGZPJMESA-N 435.597 4.982 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1595871254 LCJHDYASVZZZAZ-CQSZACIVSA-N 433.419 4.961 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)F)c2ncccc12 1597260079 WNFWNPBBCWBIRE-AWEZNQCLSA-N 441.862 4.811 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)c(OC)c1 1598337905 CXPRCLHCPYSCKL-UHFFFAOYSA-N 427.504 4.908 30 10 IJEE C[C@H](c1cccc(C#N)c1)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1615318256 GEKFZQNRJLKXEZ-OAQYLSRUSA-N 425.532 4.656 30 10 IJEE C=CCN(C)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(NCCCC)nc3[C@H](C)[C@@H]2[C@H]1O 1616132399 DNQGGGGKIZJULK-KZBYZXQCSA-N 433.662 4.689 30 10 IJEE C=CC[C@]1(C(=O)N2CCOc3c2cccc3C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1616265429 XLRIPZHBIOFKNP-OAQYLSRUSA-N 440.462 4.777 30 10 IJEE COC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H](C)CC#N)CCCCC1 1619061658 CVMLFVALBQOZGP-HXUWFJFHSA-N 425.577 4.562 30 10 IJEE C#CCCCS(=O)(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 1621777363 DOFYMNCEVJCVOT-UHFFFAOYSA-N 448.382 4.949 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1627403831 JRKWIZPZBXUGIB-UHFFFAOYSA-N 448.588 4.975 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)c1ccccc1 1627436045 SETRJWDGWSCSED-MHZLTWQESA-N 444.354 4.797 30 10 IJEE C=CC[C@@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)c1ccccc1 1627454509 HUJUYLXKRHZWQH-FGZHOGPDSA-N 438.369 4.518 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNC(=O)c1ccsc1)c1ccc(C)c(C)c1 1628569427 NITWNCFWGKJNOJ-UHFFFAOYSA-N 434.561 4.893 30 10 IJEE CCc1ccc([C@@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2cccc(F)c2)cc1 1628773301 DDBYFTJIJDQYAU-ILBGXUMGSA-N 444.510 4.607 30 10 IJEE C#CCOc1ccc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cc1 1629022348 IOVZUGNUIDARNY-UHFFFAOYSA-N 431.439 4.634 30 10 IJEE C#CCC1(NC(=O)N[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CCCCC1 1633579193 ICLROSSDQXJNJZ-TZIWHRDSSA-N 433.955 4.555 30 10 IJEE N#Cc1cccc(C2(NC(=O)c3nn(-c4ccc(Cl)cc4C(F)(F)F)cc3O)CC2)c1 1635202237 GHQLGIQBLFXNHA-UHFFFAOYSA-N 446.816 4.541 30 10 IJEE C#CCN(C(=O)NCc1cscc1Cl)[C@H]1CCOc2ccc(Br)cc21 1638466679 VXOPZMUERLYFMD-INIZCTEOSA-N 439.762 4.833 30 10 IJEE C=CCCC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CC[C@@H](C)C3 1640586552 CZRXLSNFIHPDMA-CQSZACIVSA-N 428.579 4.852 30 10 IJEE Cc1ccc(C[C@H](C)N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)cc1 1653415658 DJTIKKIXGZENJL-IBGZPJMESA-N 446.570 4.974 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(Br)c1OC 1655625894 CNERONVRZZNLJD-HNNXBMFYSA-N 444.778 4.577 30 10 IJEE C#Cc1cccc(NC(=O)N[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 1657678430 URIRKXNBSIGXBX-LVXARBLLSA-N 447.535 4.693 30 10 IJEE C#CCN(C)CCCNC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C 1659550241 KIQQTUYCIXTPHY-UHFFFAOYSA-N 435.547 4.808 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1661123812 AURPDLHGBFCOFR-LJQANCHMSA-N 443.588 4.828 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl 1661537635 GJHRQFRUTHPRPF-NRFANRHFSA-N 448.878 4.566 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)CC(C)(C)O 1662574298 ZMUSRBVDZKLDRK-UHFFFAOYSA-N 433.346 4.819 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)n1 1664538178 ADAXFURJBPJUMD-UHFFFAOYSA-N 445.897 4.889 30 10 IJEE CC(C)(NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccc(C(F)(F)F)cc1 1665777606 AWCYVEHGDNFPOI-UHFFFAOYSA-N 447.276 4.553 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 1666668245 CMBNXSCZTMTRFZ-NFBKMPQASA-N 430.556 4.839 30 10 IJEE N#Cc1cc(S(=O)(=O)N(CCc2ccc(F)cc2)C2CCCC2)ccc1C(F)(F)F 1668009681 FSJOKQNUUVWKAZ-UHFFFAOYSA-N 440.462 4.892 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)cc1 1668941020 XOMYFWJPDCYLRO-UHFFFAOYSA-N 429.973 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 1674150111 URAYGKLVCXCGHQ-FOIQADDNSA-N 434.462 4.871 30 10 IJEE C=CC[C@H](CC)NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1681883584 QBXYTPDAUARYGL-HLAWJBBLSA-N 433.568 4.820 30 10 IJEE C#CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC)C1CCCCC1 1682892290 MUKAWAMXJMYVQY-QFIPXVFZSA-N 427.589 4.792 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1COc2cc(F)cc(F)c21 1686083419 AREQRCMKMZCVOA-MRXNPFEDSA-N 441.247 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)ccc1F 1689836150 ZDBUFQTXCFVKBW-LSDHHAIUSA-N 426.536 4.916 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCCCN1CCCC1 1689949345 ZIXJDDDWOFLSDZ-UHFFFAOYSA-N 444.627 4.688 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1ncc(CC)s1 1690058983 GGEYFKIYJHBUTD-LJQANCHMSA-N 437.613 4.756 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(Cc1ccccc1F)C1CC1 1690179137 OFFYWJXFTCQVCL-UHFFFAOYSA-N 426.586 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1690209194 NOUIKLKYRQNYIN-WRWLIDTKSA-N 437.535 4.920 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1F 1690250899 MTXGMELBWOUSAV-SIKLNZKXSA-N 426.561 4.687 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690336013 QNBKJNAYBAQGES-DYVFJYSZSA-N 432.952 4.772 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1OC 1690358535 CYCWDIYHAIEWOT-OAHLLOKOSA-N 441.269 4.880 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1690374597 WRCFTHHXVVEYKH-LJQANCHMSA-N 446.979 4.589 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690456038 SVHLODFEYKPLGQ-UHFFFAOYSA-N 435.963 4.864 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1690482113 ZLIRXMWNQYIFEE-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCCCn1c(N2CCC[C@@H](NC(=O)CCC)C2)nnc1C1(c2ccccc2)CCC1 1690496451 QWMNBQVHXTULDG-JOCHJYFZSA-N 435.616 4.599 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1(SC)CCC1 1690559814 KNTSFQVHDIXOGQ-OAQYLSRUSA-N 437.613 4.870 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1690604514 WDSHPMOJMJSNGF-HFMPRLQTSA-N 438.616 4.958 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@@H](SC)C1 1705737832 CDADPHAKWDULQM-OAQYLSRUSA-N 439.629 4.596 30 10 IJEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F 1705738814 LHTYNELDPYGIPF-UHFFFAOYSA-N 445.489 4.512 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1705814325 LWTQPGQDZHVCSQ-GOSISDBHSA-N 441.526 4.974 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705948857 HIZSQCVXNYNVMW-PMACEKPBSA-N 445.702 4.717 30 10 IJEE CC(C)c1nc(CCn2c(-c3ccccc3Cl)nnc2N2CC[C@@](F)(C#N)C2)cs1 1706269228 FUDOTXJGXWUORF-OAQYLSRUSA-N 444.967 4.863 30 10 IJEE CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N)N1CCCC1 1708772949 HBYZGHHENBVSSJ-CMKODMSKSA-N 445.011 4.542 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1722415402 QTZPEBDQOHTCLF-NZQKXSOJSA-N 425.646 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(Cl)nc1 1722466998 KBTNJFUZURLBPS-WAIKUNEKSA-N 439.922 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC1CCCC1 1722498475 APBNXHWJKRHBJA-CVDCTZTESA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1722521081 DBPHEXWJTUAUJJ-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCC(C)(C)C)CC1 1722560976 LERNHAQORPNMPU-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1722582588 NDMISVYWZMEGEP-XMMPIXPASA-N 438.597 4.782 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H]1N(C)CCCC1(C)C 1722655028 BVYAXENMVNLURL-OFNKIYASSA-N 434.632 4.976 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@H](SCC)C1 1722735630 QCLWOPNQGLMJFF-FQEVSTJZSA-N 432.659 4.985 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1)c1cccnc1 1726670088 CKOLBYXTOXIOFH-PWHSHALESA-N 446.624 4.982 30 10 IJEE COC1(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)CCC(C)CC1 1729951602 BKWBAINVXAHGPP-OTQYULQBSA-N 445.995 4.844 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CC2CCC(F)(F)CC2)C1 1731180300 AAHJDBBZRZQXPR-QFIPXVFZSA-N 431.506 4.721 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1740536154 ZWXSOEORKBZZIJ-RBUKOAKNSA-N 444.023 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1coc(-c2cccs2)n1 1740776258 SLDBXKUNIONTRJ-UHFFFAOYSA-N 440.598 4.801 30 10 IJEE C=C(C)Cn1c(N(Cc2cccs2)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740785151 MPRIAISITUUKMG-CALCHBBNSA-N 443.617 4.855 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCCn2ccnc2C)CC1 1740840880 CUMAKBGUWMGKTF-UHFFFAOYSA-N 448.615 4.862 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(F)cc1)N(C)C)C1CC1 1740912348 ANYPUFIXGWFNDD-NRFANRHFSA-N 425.577 4.527 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740944685 WDAJHMQPKFIASD-IAGOWNOFSA-N 431.378 4.537 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CC2(c3ccccc3C)CCOCC2)C1 1740972927 OOCDIFSWYAPUEA-IFMALSPDSA-N 438.616 4.630 30 10 IJEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCC1(C)C 1747757388 GJYMVUHTAIABME-HXUWFJFHSA-N 430.556 4.586 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)o2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1748777834 YAGYHMRBRAKAGZ-UHFFFAOYSA-N 435.528 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)C1CCCCC1 1749056366 FZJPIIAFJUVFQH-RPWUZVMVSA-N 426.992 4.922 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCCc1nc(C)cs1 1749056783 SYFNCMVAXAMWEC-XMMPIXPASA-N 435.597 4.734 30 10 IJEE C=C(Br)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccccc1C 1749112582 LXSFWEQQWRJQMD-OAHLLOKOSA-N 435.276 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCOc1ccccc1F 1749131158 QISLKLMEOZMJJT-KNQAVFIVSA-N 428.552 4.571 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1749291226 BJVYLVUOGJYNSU-ZWKOTPCHSA-N 445.995 4.533 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1749404106 RONQJQDILQILCP-XZOQPEGZSA-N 436.648 4.711 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1749447717 MFDNUEVPBPLCGV-JOCHJYFZSA-N 441.620 4.532 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1749525037 FKBNIJWEWITNKK-VXKWHMMOSA-N 435.660 4.975 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC1(F)F 1749550617 DYSYWSIHLZSTDU-QGZVFWFLSA-N 432.544 4.758 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1Cc1ncccc1C 1749551263 UQQPOAIHIPXOJI-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC(F)(F)C1 1751091306 GWCHCVPFCPLGOA-ZIAGYGMSSA-N 425.430 4.720 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cc(C)on1 1760211522 HTKUIZQCPDHEJV-UHFFFAOYSA-N 435.940 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCc1nc(C(F)(F)F)cs1 1760291207 GJGQREFGQKSLMF-LJQANCHMSA-N 435.475 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760317313 DRFXEDYGWLEABZ-PBVWOCPUSA-N 439.560 4.849 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccon1 1760319071 QMWQJGVDNPQMAP-AUUYWEPGSA-N 448.354 4.858 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC(F)F 1760326902 ZELYYIQEKOCEDE-MGPUTAFESA-N 440.922 4.583 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1760350395 GXLCJMYIGMGPSW-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cccc(Br)n2)CC1 1760385286 PBBPBCPXBRITFO-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1760470862 FSAFJFGCQUACIY-AVRDEDQJSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)c(Cl)c1 1760487328 PLQGTSYFJLJKKO-MRXNPFEDSA-N 432.952 4.877 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC[C@@H]1C 1766085870 HHCPVNPFQUJDQB-ZYLNGJIFSA-N 437.588 4.822 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCCOC(F)F)CC1 1772554697 FVWXAUKEQDCBQE-UHFFFAOYSA-N 441.320 4.739 30 10 IJEE Cc1ccc(C=NNc2nc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cs2)cc1 1772723713 AZXLTLNRCSFEIV-UHFFFAOYSA-N 440.594 4.739 30 10 IJEE CCOc1cc(/C=C2\SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)ccc1O 1772738990 RRQHPTZUEMDZEH-NVGQKUQCSA-N 438.534 4.759 30 10 IJEE Cc1ccc2c(CC(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)noc2c1 1859656943 KFSWQJFVBWTADR-UHFFFAOYSA-N 436.475 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1C 1862407671 SXIDQMNRGFUCRX-QHCPKHFHSA-N 436.552 4.694 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862411820 PRZHGXVBIZNRDB-IBGZPJMESA-N 427.428 4.510 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862479569 KIFSIQFEUPGTMA-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1OC 1862482395 PYFLFEHXHWJZMA-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(F)c1 1862524538 HTDSHJXDOMMCNR-GOSISDBHSA-N 432.289 4.967 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1F 1862544399 CAUKAFVJSQOSDZ-QHCPKHFHSA-N 437.511 4.709 30 10 IJEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(O)c2)cc1 1862555601 XSQKGCFUZKJYCZ-VOIUYBSRSA-N 442.515 4.876 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1862649667 CWAFAYCGLDEMCO-QHCPKHFHSA-N 433.479 4.984 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C)cc1 1862698219 DFVCWCOILKPWKI-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(F)c3)C2=O)cc1 1862979806 HGVNLNYWDWIVII-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CCCOc1ccc(Cl)cc1 1870146710 FLYGARKXIRJYAK-UHFFFAOYSA-N 449.820 4.609 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(F)cc2F)cc1 1870158824 QEXGYLALYOHLFA-UHFFFAOYSA-N 425.439 4.629 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc2cc(Cl)ccc2n1 1870162366 QSUQZGVCWJEAPU-UHFFFAOYSA-N 443.681 4.900 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CSc1ccc(Cl)cc1 1870306641 VWUQCUIEQAMMPZ-UHFFFAOYSA-N 435.973 4.948 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1cccc(F)c1 1870944948 DPOLQIHFZJLNTF-UHFFFAOYSA-N 445.579 4.863 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1ccc(C)c(C)c1 1871190578 GLPJSJZDFYPXIU-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cccc(NC(C)=O)c1 1871266520 YAVBSMLVWZBAFX-UHFFFAOYSA-N 443.588 4.541 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O[C@H](C)C(=O)OC(C)C)c3C)C1=O)cn2C 1871401282 YRLSBSSOLVXRMN-XYIDMMFISA-N 449.503 4.830 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(C)=O)ccc3C2=O)cc1 1871442026 WNCADBLZXZHCGZ-CFRMEGHHSA-N 443.455 4.532 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871581283 ZZBPYSYIFDXOOR-UHFFFAOYSA-N 446.574 4.520 30 10 IJEE C=CCN=c1nc(N2CCc3ccccc3C2)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871673498 APVQQTFJAGQBDJ-UHFFFAOYSA-N 442.611 4.866 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872132970 NZDGSSIOKXWOAH-NRFANRHFSA-N 446.638 4.631 30 10 IJEE N#Cc1cccc(NC(=O)c2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)c1 1872884215 DEVXJAPFXXVUJU-UHFFFAOYSA-N 430.939 4.786 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(F)c(F)c1)n2Cc1ccco1 1873661746 CORSECLUTUYWAY-UHFFFAOYSA-N 449.461 4.782 30 10 IJEE Cc1ccccc1/C=N/n1c(COc2cc(C)c(Cl)c(C)c2)nnc1SCCCO 1874217728 IKZVTQMIJAZWFI-ZMOGYAJESA-N 444.988 4.792 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(F)cc1 1874220024 QYLKNIJUPGMCGP-MFKUBSTISA-N 440.544 4.988 30 10 IJEE COc1cc(/C=N/n2c(CCc3ccc(C)c(C)c3)nnc2SC)cc(Cl)c1O 1874329591 VZAUUHOYBVHPGP-FSJBWODESA-N 430.961 4.652 30 10 IJEE CCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874345236 CWGBVXKEBMZPBB-KGENOOAVSA-N 431.359 4.656 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(OCC)c1 1874409632 GQWAMJZYRFRHGI-LFVJCYFKSA-N 444.601 4.727 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874431051 BYKPAJZBVAEFNA-YSURURNPSA-N 448.379 4.704 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCCO)cc1OCC 1874440869 XIPAZCSUDMIQAQ-JJIBRWJFSA-N 448.633 4.801 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874481246 PXAOTEGCLLNIRD-FSJBWODESA-N 443.960 4.548 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2-c2ccco2)ccc1OCc1ccccc1C 1874559835 RGNOMFPBJTUJKT-ZVHZXABRSA-N 434.521 4.995 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NCc1ccco1 1874620333 UMMCZTJVTPSNMN-UXBLZVDNSA-N 437.467 4.717 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc(Br)c1OCC(N)=O 1874624174 PJAQJPNEOSGJPU-BJMVGYQFSA-N 446.341 4.731 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OCC(=O)OC 1874628426 CMTINBIIQKQMAF-FNORWQNLSA-N 439.291 4.849 30 10 IJEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(OC)c3)ccc2OC)cc1 1874694073 KCYBURXGDVOMSI-LFYBBSHMSA-N 448.471 4.836 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875117189 COPVAXSHRWWDOT-IZZDOVSWSA-N 428.397 4.503 30 10 IJEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c1 1875147189 RXDGINNBKHWKSP-KPKJPENVSA-N 444.483 4.901 30 10 IJEE N#Cc1ccc(CC(=O)N2CCC(c3ccc4cc(-c5cccnc5)cnc4n3)CC2)cc1 1890700258 NVBUCTZLCLTSJF-UHFFFAOYSA-N 433.515 4.512 30 10 IJEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)c(F)c1 1891217452 UFRWDDGWKRMQRB-UHFFFAOYSA-N 432.273 4.572 30 10 IJEE C[C@@H](C(=O)NCC#CCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)c(F)c1 1891599517 TYBJTUSVPIMGDA-OAQYLSRUSA-N 426.535 4.774 30 10 IJEE C#C[C@H]1CCCN1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)s1 1891770952 YHAOXANTZBSGMC-AWEZNQCLSA-N 426.339 4.601 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3ccc(Br)cc3Cl)CC2)OC1(C)C 1963796231 CNBHZHREODXLTM-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2c(Br)cccc2C#N)C1 1965603146 XHRGQNJOOZYIRU-CQSZACIVSA-N 444.320 4.792 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2068005575 WAARIOGYIYLYFH-ZEVJAHDQSA-N 446.632 4.524 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCC3)c1 2068970731 NBKHALACEMFGFY-DEOSSOPVSA-N 443.544 4.872 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Nc3ccc(C#N)c(Br)c3F)C[C@H]2C1 2162386127 YFFXFSKPTGKMHS-KKUMJFAQSA-N 438.341 4.907 30 10 IJEE C=CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CNCC)c(Cl)cc1Cl 2185654794 IYHCBCATDDSGCT-UHFFFAOYSA-N 427.397 4.870 30 10 IJEE C=CCC[C@H](COc1c(N)cnc2ccc(Br)cc12)NC(=O)OC(C)(C)C 2198822310 KYHYTIHMUIVVPB-CQSZACIVSA-N 436.350 4.818 30 10 IJEE C=C1CC([C@H](NN)c2sc(Br)c(Br)c2Br)C1 2212244739 BOAGVYFCRMGNTG-QMMMGPOBSA-N 430.991 4.506 30 10 IJEE CCN[C@@H](C#Cc1ccc(CC)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223317278 CPWSEWYQWMXGFK-LOSJGSFVSA-N 436.596 4.689 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H](N)C#Cc2ccccc2Br)cs1 2227505636 MPHXTGROSNQNEI-DOMZBBRYSA-N 436.375 4.543 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235719772 BHHUDVFBFXTOSR-PKOBYXMFSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1cccnc1NC(=O)OC(C)(C)C 2235727627 YYCQZQPBEASGCZ-SFHVURJKSA-N 430.346 4.893 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2235735185 ZDDIUTZJWKNZPG-ILZDJORESA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)NCC1(C[C@H](N)C#Cc2ccccc2Br)CCCCC1 2235746190 ILMXBLJVEPFDBV-GOSISDBHSA-N 435.406 4.993 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2266708521 QDPKBDATCANGOI-AEFFLSMTSA-N 427.383 4.968 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)C 2267499835 ZPLFYMSGTCBLCB-KRWDZBQOSA-N 440.368 4.597 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(F)c(F)c(Br)c(F)c1F 2267846254 UCGVUEDKXNTXSP-AYVTZFPOSA-N 441.263 4.735 30 10 IJEE Cc1c(COc2ncccc2B2OC(C)(C)C(C)(C)O2)cccc1NC(=O)OC(C)(C)C 2268339999 AELPCGOZMXSNPU-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@@H](O)C#Cc2cccc(Br)c2)CC1 2296219856 RZSFJLMKUOLCPZ-MDKPJZGXSA-N 440.353 4.585 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2296271799 HJZUYQGZWSDHDW-IEBWSBKVSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)C#Cc3ccc(Br)cc3)CCCC[C@@H]12 2296274185 SKNXQHAXZSFCFG-XMSQKQJNSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)C#Cc2ccc(Br)cc2)C12CCC2 2296276516 IUJAUQGQHBUFSR-LPHOPBHVSA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@@H](N)C#Cc1cccc(Br)c1 2296279717 RSMRSKPUGTUDNI-UGKGYDQZSA-N 429.358 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@@H](N)C#Cc3ccc(Br)cc3)CCC[C@H]21 2296288559 ILSLFIQELDRHTD-YSTOQKLRSA-N 433.390 4.554 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296303248 TWVDDPWKTSKCLD-BJLQDIEVSA-N 435.406 4.849 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 2296766451 RFWDBCJGSVWHQQ-GOSISDBHSA-N 437.496 4.601 30 10 IJEE O=C1C(=CNc2ccccc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 2297378460 SPDNSFSPJQWBPF-UHFFFAOYSA-N 430.938 4.888 30 10 IJEE C#CCCC1(CCC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)N=N1 2297714709 WSTAFKMKKBFNSR-UHFFFAOYSA-N 425.554 4.692 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 2314477332 FMGKBGRYBGLTET-DEOSSOPVSA-N 432.564 4.524 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317347913 FORKSMNSSCSNBM-BFRYPLHYSA-N 429.370 4.584 30 10 IJEE N[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319048752 VYDSSVWVMPITHC-FXSWLTOZSA-N 425.528 4.740 30 10 IJEE CCCSc1nnc(C2CC2)n1N=Cc1cc(Br)c(OCC)c(OC)c1 2320868028 AJELZVYTXMBURE-UHFFFAOYSA-N 439.379 4.710 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccn2)C3=O)c1 2323921606 JZEYCUJOZJSVJP-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)cc1 2324077306 JVSXLULHJHCLMB-UHFFFAOYSA-N 435.520 4.868 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1F)C2=O 2324090964 BBQKVWXEORKMBS-UHFFFAOYSA-N 432.495 4.916 30 10 IJEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(OC)c(OC)cc1OC 2325604053 ZTEOROCYCHKASN-UHFFFAOYSA-N 446.960 4.694 30 10 IJEE CCn1cc(C=C2Oc3cc(OCCN4CCCC4)ccc3C2=O)c2cc(OC)ccc21 2325669154 JKRVLHXSEZPORT-UHFFFAOYSA-N 432.520 4.761 30 10 IJEE OCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2327997819 NCLWAQPYVYATJF-UHFFFAOYSA-N 436.968 4.837 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(OCCC)cc1 2328403559 RRHSHNBDMCUSDV-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c(OCC)c1 2328798589 RBFUGVIHGOLGOF-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE C=CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(OCC)c(OC)c1 2329499888 WIPRWPGKTQSOTG-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE CCN1C(=O)COc2ccc(C(=NOCc3ccc(Br)cc3)C3CC3)cc21 2330343148 NCRLHOPUXYRJDU-UHFFFAOYSA-N 429.314 4.525 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2N=Cc2ccccc2)cc1 2330354508 KMUZXDWSMUACIU-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE COc1ccc2c(c1)c(C=NNC(=S)NC(c1ccccc1)c1ccccc1)cn2C 2330467008 OVESYFGZDAPUGN-UHFFFAOYSA-N 428.561 4.775 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1OC 2330707267 GLVGUOUJMUYETR-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c1 2331030699 CJZVXOFDQKJFLO-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2331473590 LFKPOROBGNFNJH-UHFFFAOYSA-N 449.624 4.891 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339586385 FDHZKVJTPCESCA-DEOSSOPVSA-N 443.397 4.610 30 10 IJEE C=C(I)COc1c(CN[C@@H](C)CC)ccc(C)c1Br 2352943121 ORJMVEIMAKABEY-LBPRGKRZSA-N 438.147 4.973 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@]1(C(=O)Nc1ccc(C#N)c(Br)c1)CC2 2355940891 GIEWHFKHCFYZOA-MGPUTAFESA-N 434.334 4.581 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510484 LMUHYBPHRMRMFY-UHFFFAOYSA-N 432.545 5.000 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)cc1)c1cccc(Br)c1 36765717 CDIASWOOTCUJGB-CQSZACIVSA-N 426.051 4.544 30 10 IJEE Cc1nc(S[C@@H](C)C(=O)Nc2c(C#N)cnn2-c2ccccc2)cc(-c2ccccc2)n1 40171623 UNYJUIAKEGSTGZ-INIZCTEOSA-N 440.532 4.629 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 40859536 DRALECORZLJIQI-UHFFFAOYSA-N 429.567 4.790 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccccc2OCC)nnc1-c1cccc(OC)c1 59807971 LLNYCWXJCDPFMK-UHFFFAOYSA-N 438.553 4.659 30 10 IJEE CN1CCN([C@H]2/C(=N/C3CCCCC3)N(c3ccccc3Cl)C(=S)C2(C)C)CC1 105421798 PHFWHRMVACZCDR-LJZRKVIHSA-N 433.065 4.861 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OCC)c1OC(=O)N(CC)CC)C2=O 111703431 FYXFOLSIXALUPB-KGENOOAVSA-N 425.481 4.941 30 10 IJEE COc1ccccc1-c1csc(N/N=C\c2cc(OC)c(OC(C)C)c([N+](=O)[O-])c2)n1 169940954 HNCVGGIYUIRAJR-JJFYIABZSA-N 442.497 4.969 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccccn1 169994190 JUDYMYOOHBXWCW-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170030543 MDBXTQSOIPXJIG-WMZHIEFXSA-N 447.487 4.589 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c1 170047605 PGQXJGPUBMAIHP-QHCPKHFHSA-N 443.455 4.597 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 170067544 RXXQNKNSKBLSCB-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170116991 WNAPODBYUZNRQK-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCOC(C)C 170122077 LLTOZPJNYUGWQN-XMMPIXPASA-N 449.547 4.577 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)c(C)c1 170202535 DSMOPZLRJLKQPP-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)cc1 170249304 ATGFBWRNQCNHJA-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)cc1C 170274587 DLCACHBSHPRCFI-XMMPIXPASA-N 442.515 4.794 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2sccc2C)c1 170313300 CJTFMEHDVNQOLX-SFHVURJKSA-N 449.956 4.722 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCC)c1 170324485 KVSRKRXCTNOSRE-JOCHJYFZSA-N 447.487 4.995 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 170326136 WXRHTIQAENQEND-QHCPKHFHSA-N 429.472 4.599 30 10 IJEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C(C)=O)cc1 252625053 QBVGDNSOWMNGKH-BZMHFZIGSA-N 439.562 4.892 30 10 IJEE CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(C)c(C)c3)S2)cc1 252629168 UAARFLVRIFKWRS-HXUWFJFHSA-N 425.554 4.682 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 508809142 JWWFZTNCGABOAF-QGZVFWFLSA-N 431.359 4.533 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 508956112 MVICZZDQSCWPAJ-VJBMBRPKSA-N 449.624 4.654 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 521690542 DOVZIQZOQJHGHX-RTBURBONSA-N 430.302 4.611 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)cc1OC 526515555 JOUQLCAJBBKTDZ-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(F)cc1 526830962 FMSORQLIFMBKOY-FMCGGJTJSA-N 430.505 4.702 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 557610130 CMKYLSHNAWPQOR-AVCGJXAMSA-N 437.584 4.895 30 10 IJEE C=CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586145211 WDTMZNIWLQMKLR-UHFFFAOYSA-N 436.618 4.560 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1 610004895 RITKDEKTSIIULD-UHFFFAOYSA-N 433.455 4.627 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1C#N 752195878 KALVKQPUUZDRQE-HOTGVXAUSA-N 433.386 4.767 30 10 IJEE N#C[C@@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)C(=O)Nc1ccccc1Cl 765914620 FCZVWWONUADDGS-NRFANRHFSA-N 448.906 4.688 30 10 IJEE C#C[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 774264075 MCRNDGPEQYXOIG-KDOFPFPSSA-N 445.466 4.687 30 10 IJEE COc1ccccc1[C@H]1[C@H](C(=O)N2CCC(C)(C#N)CC2)CCC(=O)N1c1ccc(C)cc1 780780623 XBDIJEXNRLKCQT-RDGATRHJSA-N 445.563 4.640 30 10 IJEE C=CC[C@H](NC(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccncc1 783233981 XOCRUPBRFGJBSG-ONTIZHBOSA-N 444.938 4.541 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CCC)c2ccc(Cl)c(Cl)c2)n1 788927491 UXGWGLJBQRGYLV-FQEVSTJZSA-N 437.371 4.523 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCCC[C@@H]2c2ccnn2C)c1=S 799147087 DZXUXEWNYYJCRS-LJQANCHMSA-N 428.993 4.839 30 10 IJEE C#C[C@@H](NCc1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1)c1ccc(F)cc1 812794203 UVIBRRBFNROZHN-HSZRJFAPSA-N 432.495 4.706 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)c2)cc1 1126014079 DNBSNJGVJVKYIH-UHFFFAOYSA-N 432.501 4.787 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 1126063460 RPHMMMAKBKPLKD-IBGZPJMESA-N 434.527 4.735 30 10 IJEE C#CCN(C(=O)c1ccc(OC2CCC2)cc1)[C@@H]1CCOc2ccc(Br)cc21 1126230413 WOBZVPORUQCLIU-OAQYLSRUSA-N 440.337 4.980 30 10 IJEE Cc1nsc(N(C)C(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)c1C#N 1129710976 FWUQNKOSVCPMPI-GFCCVEGCSA-N 432.958 4.916 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(Br)cnc1OCC1CC1 1138257287 DNPFTESLMOCRPS-UHFFFAOYSA-N 431.330 4.783 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2ccccc2F)s1 1139016465 WEOBTIPARBRIPK-CQSZACIVSA-N 425.913 4.924 30 10 IJEE Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(C)cc1Cl 1144758180 AUNMOZKRNFPNRD-HXUWFJFHSA-N 446.776 4.742 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 1147941921 JJFLXAFRLVBESX-QWHCGFSZSA-N 435.512 4.979 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCC)c(Br)c1 1154942083 IMAWWMBVSNWLOZ-UHFFFAOYSA-N 442.313 4.851 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@@H]3CCN(c4ccccc4Br)C3)n2)c1 1162536536 IAGPUJARBPIWQC-MRXNPFEDSA-N 436.313 4.594 30 10 IJEE CC(=O)[C@](C#N)(CCSc1n[nH]c(COc2ccc(Cl)cc2)n1)c1ccccc1 1165213866 AXVSJXVCUVOSOE-OAQYLSRUSA-N 426.929 4.570 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 1165650662 MTLDXHACDYLNLM-IPJJNNNSSA-N 428.573 4.837 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 1186557893 YBDJAGSXTSZXSO-UHFFFAOYSA-N 425.513 4.520 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)c1ccccc1 1192710683 REMVIAUPFGEERU-APWZRJJASA-N 426.582 4.895 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1 1200384152 PSMTXRVCJLAYQI-UHFFFAOYSA-N 440.471 4.588 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCN(C4CCCCC4)C3)c2)cc1 1214718677 AZGFNCDYZDGVJP-QHCPKHFHSA-N 432.568 4.860 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCOC)CCc1ccccc1 1219084701 WWYFEKHDRWFNHW-UHFFFAOYSA-N 433.346 4.737 30 10 IJEE Cc1cccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C 1226111120 HPRZKSFZEYQEME-RPWUZVMVSA-N 430.552 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCSc2ccc(Br)cc21 1227478399 BCSYWJKJAMRCKQ-OWQGQXMQSA-N 425.392 4.657 30 10 IJEE CCOC(=O)CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H](C)c1ccccc1 1267355915 ABOGZPINNMDVJQ-HXUWFJFHSA-N 442.515 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC[C@@H]1OC 1286277007 VULYTCFQUNMHKG-DBVUQKKJSA-N 435.597 4.650 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286403650 NKTZYGJPBGYOAP-OEMFJLHTSA-N 430.596 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C(N)=O)cc1 1286566872 PKYLNIYZGKLRDQ-UHFFFAOYSA-N 449.624 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286569260 KAXFPSUPFAWNAR-NHCUHLMSSA-N 439.648 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(NC(=O)CC(C)C)c1 1286578904 LQJFWGQCICITLE-QFIPXVFZSA-N 439.604 4.955 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN(C)[C@@H](C)CC)CC1 1286651784 LKLPJJUFLMZZKG-RBUKOAKNSA-N 429.584 4.690 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1286684508 IOJVEMKSUHFXKT-AZUAARDMSA-N 430.618 4.720 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1c(C)noc1C 1286685124 MWHCQVVNFIMNQF-UHFFFAOYSA-N 431.544 4.933 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@H]1CC(F)(F)CO1 1286750272 WGMOKMGLTZZDFL-LJQANCHMSA-N 444.551 4.856 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1oc2ccccc2c1C 1286755090 YYSVFTYFMGHPIS-VWLOTQADSA-N 436.556 4.600 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(Cl)c1 1286774624 YVQNPXCFAQRQGQ-SFHVURJKSA-N 445.995 4.868 30 10 IJEE CC(C)c1ccccc1OCCn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1 1287166330 DHKVTHSROHNNNM-VWLOTQADSA-N 430.556 4.673 30 10 IJEE C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)Sc1ccccc1 1288641871 HMEAQMQJMCDPNX-RXVVDRJESA-N 425.602 4.831 30 10 IJEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1cccs1 1292291757 DUXMNCAVOHNXIM-QGZVFWFLSA-N 439.585 4.539 30 10 IJEE C#CC[C@]1(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CCCN1C(=O)OC(C)(C)C 1292509092 WAXFZRLXRXKIJY-JOCHJYFZSA-N 437.367 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1300316723 CCXJEOGEOYISCA-SFHVURJKSA-N 437.588 4.864 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](COC)C1 1300384369 OKVJGVXYVJNAPH-PMACEKPBSA-N 445.007 4.965 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nc(C(C)C)cs1 1300516045 HZHZWEXKTTWIDU-QGZVFWFLSA-N 449.649 4.832 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1301009747 OISAEVDTMOUEKV-UHFFFAOYSA-N 425.458 4.676 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1301087787 VDUSPIWWXFMKKP-NRFANRHFSA-N 430.600 4.550 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1301095058 AGISFQAVHSAZGP-RTWAWAEBSA-N 438.616 4.984 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC2(OC)CCCCC2)CC1 1301096104 WYFLCZZZYKSSAG-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1301119660 RGGHAVOINPFJMN-FQRUVTKNSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301150650 ZFNWKKLDICFSHE-GOSISDBHSA-N 431.625 4.841 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ncc(C)s2)CC1 1301207036 OHHDDADNQRUNQY-UHFFFAOYSA-N 438.557 4.968 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCOc1ccc(F)c(Cl)c1 1301381109 SMSIIWPTHDOEIG-UHFFFAOYSA-N 427.911 4.698 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cccs2)C1 1301537678 CTYJQUNMOXMWDK-UXHICEINSA-N 438.597 4.926 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCC(C)C)c2)C1 1301556310 HALXXDLIMXLQDX-QFIPXVFZSA-N 426.605 4.731 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@](F)(C#N)C1 1301618269 NMUQCDNKWDTYHI-QHCPKHFHSA-N 443.592 4.650 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(OCc2ccccc2)cc1 1301652971 ALFAUPYCEUGJSP-UHFFFAOYSA-N 439.515 4.946 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](c3c[nH]c4ncccc34)C2)CCCN1C(=O)OC(C)(C)C 1301946258 CMXZIAVZCHZTFR-CJAUYULYSA-N 438.572 4.615 30 10 IJEE N#Cc1cc(F)c(Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1Br 1306941096 BHBTWRJFASIJES-UHFFFAOYSA-N 429.337 4.735 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2N(C)CCCC2(C)C)cc1OCC 1308396344 MFCOGDSOZBCJOD-LJQANCHMSA-N 425.411 4.623 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(C)c(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1 1310057583 MVJGBLHHSCWRGZ-SFHVURJKSA-N 430.434 4.819 30 10 IJEE C#CCOc1cccc(NC(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c1 1310303198 OQJCWHTYHDUCSS-SFHVURJKSA-N 435.524 4.749 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2nccc(-c3cccnc3)n2)CC1)c1ccc(Cl)cc1F 1312944407 VVCNOHDDYIFSQT-OAQYLSRUSA-N 449.917 4.595 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccsc2)cc1 1314192106 ARDCGHLNYXZNOX-IAGOWNOFSA-N 425.558 4.522 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)C1 1314597489 GPXWSMCPEPZQPP-UYAOXDASSA-N 427.643 4.682 30 10 IJEE CS[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1316374153 BZVZYPFUEVZNIT-QGZVFWFLSA-N 437.569 4.518 30 10 IJEE C=CCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1nc(-c2ccccc2)cs1 1348501585 PYHMEEUHPBBYKT-UHFFFAOYSA-N 432.471 4.733 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)c(OC)c1 1350817264 LGIAYDFXRWLBPU-UHFFFAOYSA-N 433.552 4.984 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c(C(=O)OCC)c1C 1352311610 KIDIXVOCGWZAQT-KBPBESRZSA-N 449.475 4.596 30 10 IJEE C=CCN(C(=O)c1cnn(C(C)C)c1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352762045 AYAZRPUVGRXFAL-UHFFFAOYSA-N 431.905 4.982 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1 1357220725 TVTGMSYHBIOPKH-IEBWSBKVSA-N 427.342 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(CC)(CC)OC 1358879669 WASXUSIQQPXQSD-MRXNPFEDSA-N 433.394 4.679 30 10 IJEE C#CCCCn1c(N2C[C@H]3CCCCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935646 PAVPUJFNNGOPQH-CGXNFDGLSA-N 441.620 4.621 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C(C)(C)C)no1 1359001532 WYKSNXHQPIQLNN-INIZCTEOSA-N 441.963 4.865 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C2CC2)C1 1359060759 GZJFBBWJUOSXJE-NRFANRHFSA-N 438.641 4.892 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)C(C)C 1359066625 HWJKCMFXVHVOHK-VEYWIMSWSA-N 426.630 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359102247 ZDEDSKNZXHAJHA-MNDCFMPDSA-N 448.533 4.717 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccsc1 1359102972 IAQCHRSFBJUQMT-NZQKXSOJSA-N 438.597 4.845 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H]1CSC 1359127674 XMHGCJILKXLDBW-IBGZPJMESA-N 437.613 4.726 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OCC)c2)CC1 1359162533 UUECOPNREKRAEN-UHFFFAOYSA-N 439.947 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccsc1 1359184010 ZNCALKNGJRUOEO-SFHVURJKSA-N 436.585 4.931 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359211100 RMJBWVXBESENQE-ROUUACIJSA-N 429.565 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1cnn2ccccc12 1359254967 JTEZWWPWVJITMN-UHFFFAOYSA-N 444.583 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1359267078 USLGIIQHBLIBBR-PMACEKPBSA-N 437.588 4.529 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@](C)(O)CCC(C)C)C1 1359315112 OFONOTCOQQTYPE-NBGIEHNGSA-N 438.572 4.660 30 10 IJEE C=CC[C@]1(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 1361189584 IGTBBMVLHGNMPN-QFQXNSOFSA-N 441.616 4.686 30 10 IJEE Cc1cc(Br)c(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1Cl 1435841272 FQKJXGBZNUHIDM-AWEZNQCLSA-N 444.757 4.937 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](c3cccc(Br)c3)N3CCCC3)cc21 1439758106 VJFOTZQOXRGLLF-NRFANRHFSA-N 439.357 4.760 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1 1453945166 MGNUGLKGFZOHJY-APWZRJJASA-N 436.980 4.920 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1nc2cc(Cl)ccc2o1 1454691711 VYGQLYRZDVQDHK-AWEZNQCLSA-N 442.343 4.868 30 10 IJEE CCCOc1c(Cl)cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1OCC 1454864999 CQGNTZYSMZFHRS-UHFFFAOYSA-N 445.922 4.501 30 10 IJEE Cc1ccc(Oc2ccc(OCC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)cc1 1454866572 ICLNVJKDJBELIK-UHFFFAOYSA-N 445.494 4.526 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1 1458258506 ZSGSAAXGYBAMON-OCCSQVGLSA-N 426.330 4.589 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(n2c(CC)nc3ccccc32)CC1 1459852661 KSCFKXFGFNTNBE-IBGZPJMESA-N 436.625 4.900 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNCc1cc(Br)cc(Br)c1OCCC 1461591358 IGQJDRZUBISBEW-LRDDRELGSA-N 433.184 4.681 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc2ccc(Cl)nc2cc1F)c1ccc(F)c(F)c1 1463550160 CEQLVVZOKLKKJX-LJQANCHMSA-N 426.847 4.901 30 10 IJEE C[C@@H](C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)NC(=O)OC(C)(C)C 1465222937 ATTKZFKFCLQJOI-CVEARBPZSA-N 439.516 4.559 30 10 IJEE C#C[C@H](NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1467935031 HYRDGMZSVZJTQC-YRNRMSPPSA-N 436.955 4.943 30 10 IJEE CC(C)(C)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(Cl)cc1 1468961706 AHVXEXQXXUOUMA-YTQUADARSA-N 448.995 4.876 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)[C@@H](c1cc2cc(Br)cc(C)c2o1)C(C)C 1470958904 HMBWPYFAMHXHTQ-PKOBYXMFSA-N 435.362 4.881 30 10 IJEE C#CCN(C(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1)C(C)C 1471998136 PXWDAAHDEBVJJN-UHFFFAOYSA-N 430.548 4.518 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cc(Br)ccc2Cl)c1 1476100418 DZWVTLIXQOHZDZ-UHFFFAOYSA-N 430.636 4.897 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1CC 1507686758 FXOIXBMDNRCQCY-VQTJNVASSA-N 446.599 4.522 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H]1CC 1507743715 BJLDEMIYQAUGDN-MAUKXSAKSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1CCO[C@H](C)C1 1507762614 WSQKMXAZFXYAJG-QZTZHPFYSA-N 442.991 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1csc(Br)c1 1507798256 GPTSPCIOKBOQPY-RDJZCZTQSA-N 437.407 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1507803248 FQAKFQHJSGLBSW-WNOPAQSVSA-N 439.991 4.634 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC1(C)C 1507838617 GAHTYCNICATNFF-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@H]2C1 1507848076 MTVPZAQXCRCDFX-UXHICEINSA-N 428.552 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnn(C)c1C 1507910752 DDJSJUJYUYSFCE-UHFFFAOYSA-N 444.587 4.616 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cl)c(OC)c1 1508011591 IHEPDFCHUOHFDN-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1508013196 LVZXRDULNXTSGL-MBSDFSHPSA-N 428.964 4.505 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1508049875 LOQBKIYTVHOCCQ-MSOLQXFVSA-N 431.378 4.678 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=C)c2ccccc2)C1 1508131239 ZAYGQMBMQWRYIJ-YTFSRNRJSA-N 436.600 4.691 30 10 IJEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1509307232 HPLHYMFVSIHJIL-QHCPKHFHSA-N 434.632 4.811 30 10 IJEE CC(F)(F)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)cc1 1510131537 DZJKVPUQUCGYDX-HXUWFJFHSA-N 429.515 4.810 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cnc(-c2ccccc2Cl)nc1 1525055770 GHUKURHWIGNWTG-UHFFFAOYSA-N 438.867 4.540 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nc3c(OC)ccc(Br)c3s2)cc1 1528489517 OHSURIZDYAVYQK-UHFFFAOYSA-N 431.311 4.722 30 10 IJEE C=CCN(C(=O)c1cccc(C)c1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1529015217 UJDVOWDIVXDXLZ-IBGZPJMESA-N 430.342 4.560 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnc(OC(C)C)c2)nnc1-c1ccc(Cl)cc1 1529900195 VCSBFWWLWFJTLE-UHFFFAOYSA-N 443.960 4.698 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CCC)C(C)C)ccc1Cl 1530092024 PBKBOKNHQDSXKD-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2c3ccc(Br)cc3nn2C)C(F)(F)F)cc1 1532570725 ZKCQZGAZWMDAQO-KRWDZBQOSA-N 437.215 4.778 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c1 1534075968 ACDDSFQHGOTTOZ-KRWDZBQOSA-N 447.000 4.982 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)OCc2ccn(-c3c(F)cccc3F)n2)c1 1537465621 FJEHUEYNVKQDDE-UHFFFAOYSA-N 435.386 4.551 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)c(OC)c1 1538959042 IBWZKCHCGXCKAH-UHFFFAOYSA-N 438.911 4.960 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1539044916 MYCWQFVYWSWERT-GOSISDBHSA-N 442.007 4.537 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@](C)(OC)C1 1539052457 PGXMIFQEMDFWBN-NRFANRHFSA-N 431.378 4.516 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(CCOC)CCCCC1 1539268239 KHOZADQCLOTYLZ-UHFFFAOYSA-N 439.003 4.582 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1539327576 BOYCZIKQQJAZFG-OALUTQOASA-N 432.465 4.765 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCC1(C)C 1539397140 YUSRUTNAKOUAFI-FCHUYYIVSA-N 438.616 4.947 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1539694656 GKYCPUORBUXEFO-VWLOTQADSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCc2nc(C)no2)CC1 1539829547 ZYOYYUZUVXGWTC-IBGZPJMESA-N 436.560 4.516 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC(F)(F)C1 1540086795 BODHFRJGOKRGIH-CQSZACIVSA-N 441.320 4.677 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC1(COC)CCC1)C1CC1 1540101351 AUHFIAYDAZHDKR-UHFFFAOYSA-N 449.368 4.818 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1540116029 LRXQIDLTMDZWSF-DNRQZRRGSA-N 430.637 4.683 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1sc(C)nc1C 1540189624 XRAGVLFXNVCHCQ-UHFFFAOYSA-N 437.613 4.509 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 1540878100 OBNSWBMPVMMSCT-UEXGIBASSA-N 446.542 4.860 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(N(C)C)CCCC1 1541104942 COHPQCUFDHRABE-ROUUACIJSA-N 445.011 4.542 30 10 IJEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)CC1 1542006211 CUGFRZOAKFYLOI-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@H]32)s1 1544144309 CYXFSJVCJAIZGI-MORSLUCNSA-N 425.406 4.947 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 1544886562 DHGJHDJZBLKVRD-OHUGHZGNSA-N 447.579 4.754 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(OCC)c(OCC)c2)cc1 1556665906 JVMACPHTYOVYKR-UHFFFAOYSA-N 427.500 4.626 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCC3CCN(Cc4ccccc4)CC3)cc2)nc1 1562278050 FNSMTUYJXDPPPP-UHFFFAOYSA-N 441.535 4.779 30 10 IJEE C=CCN(C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1)C(C)C 1563267087 BIXRTIAKJMUEIT-UHFFFAOYSA-N 446.345 4.555 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)cc21 1563315227 FACUUWVRHOCZOW-KRWDZBQOSA-N 430.339 4.930 30 10 IJEE CC(C)[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 1563891726 HPQNZNGTXJFHAW-NRFANRHFSA-N 430.474 4.806 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C(N)=O)[C@@H](C)c1ccccc1)c1ccc(C(F)(F)F)cc1 1564406670 KYGPWFUUUKQDGX-RYGJVYDSSA-N 433.474 4.670 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1584714404 LGMSGHDCIUMLBY-AWEZNQCLSA-N 443.391 4.930 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 1586640998 HSOVZKHMBHSKNJ-BHIYHBOVSA-N 444.984 4.640 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1588020549 RATJMDYQCWSDOS-SIKLNZKXSA-N 426.630 4.790 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C1CC(C(C)(C)C)C1 1588109460 DPMLCRGVLADVJU-UHFFFAOYSA-N 443.364 4.917 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@H](C)C1 1589006430 DYVNVUVOLZYLDX-RCCFBDPRSA-N 428.671 4.980 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1593844386 ARCZQOLNKSRMBS-RLAPIPATSA-N 445.007 4.720 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCCC2(C)C)CC1 1594436982 GAQOYJDNBLXZKR-SANMLTNESA-N 438.616 4.763 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cscn1)c1ccccc1 1594553274 XYTOQQMYTVJJSO-NRFANRHFSA-N 430.581 4.717 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1594728176 XRZHWVJJXOYACK-UXHICEINSA-N 448.514 4.665 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCc2ccc(Cl)nc2C1 1594797629 FBAICMBBTFTCCW-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H](OC)C(F)(F)F 1594866635 GBPDAHAQBVVIGL-HXUWFJFHSA-N 447.505 4.942 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)C(F)(F)F)C1 1595707325 VNDDRAHJBFBAJG-CQSZACIVSA-N 428.886 4.968 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CSc1ccc2c(c1)OCCO2 1596874559 KIRWHWRKXBHSRB-UHFFFAOYSA-N 436.327 4.516 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 1606965905 BDTALYOALDTMQJ-DXBBTUNJSA-N 445.652 4.514 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC)C2)cn1 1615011352 IEGZUBJFSULYQX-LJQANCHMSA-N 430.556 4.675 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1615497987 GQNFITCPTXOVEB-LJQANCHMSA-N 441.651 4.753 30 10 IJEE COc1nc(C/C=C(/C)C/C=C/C(C)=C/[C@H](C)[C@H](O)[C@]2(C)O[C@@H]2C)c(C)c(O)c1OC 1615671810 CEBWOMXCEYSUQN-FKPTVHQESA-N 431.573 4.669 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@@H](C(=O)OC)c1cccc(C#N)c1 1616592130 CXWDNCWHGCYRFM-FGZHOGPDSA-N 445.485 4.782 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 1617524441 NAJBFBMYAARLMD-FCEUIQTBSA-N 428.573 4.938 30 10 IJEE C#CCN(C(=O)[C@H](C)c1ccc(I)cc1)[C@H]1CCCc2ccccc21 1617567198 UJBSCAYFBUFOHH-IERDGZPVSA-N 443.328 4.934 30 10 IJEE C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 1623142567 BBBOFDWPLJFCHV-WMZOPIPTSA-N 436.512 4.577 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(Br)ccc1OCc1ccccc1 1626364019 AKUOYPWHRAZJOQ-DYESRHJHSA-N 430.342 4.739 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(Br)cc1 1628205437 AFMHJRSXEVFISD-HNNXBMFYSA-N 426.314 4.691 30 10 IJEE C#C[C@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1ccc(Br)cc1 1628542607 ICGDCWVXYKFSPE-LBPRGKRZSA-N 446.059 4.908 30 10 IJEE C#CCN(CC1CC1)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1632028205 RPJFJKYCOKIVFK-AWEZNQCLSA-N 432.387 4.997 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2c(C)nc3ccccc3c2C)nc1C 1632837135 IJXFUHYGMYJLPP-UHFFFAOYSA-N 436.566 4.602 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(C(=O)OC)c1 1640706494 RVSWNAKIICVTNX-UHFFFAOYSA-N 435.958 4.837 30 10 IJEE N#Cc1ccccc1OC[C@@H](O)CN1CCCc2cccc(NC(=O)CC3CCCCC3)c21 1642144769 BECRTYSBZVZPKI-QHCPKHFHSA-N 447.579 4.660 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 1643381380 OJWKLNMYRHQDON-HOTGVXAUSA-N 432.659 4.964 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCC[C@H]1Sc2ccccc2NC1=O 1643752970 FURHLEFFKZKVLN-LJQANCHMSA-N 438.578 4.638 30 10 IJEE C=CC[C@@]1(C(=O)NCC(=O)c2ccc(F)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1644101499 ITXOOIHVGYOQGS-VWLOTQADSA-N 440.515 4.624 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3cc(F)cc(F)c3)nc2)CN(C(=O)OC(C)(C)C)C1 1648097052 URCDNXNMNAFRBS-UHFFFAOYSA-N 445.466 4.904 30 10 IJEE C=CCn1c(SCC(=O)Cc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652348767 BCOYIGGHNICDTD-HNNXBMFYSA-N 449.601 4.544 30 10 IJEE C=C(C)[C@H](NCc1cc(OC)c(C(=O)OC)cc1Br)c1ccc(F)c(F)c1 1653343595 XIVCPTHGSUAXIW-IBGZPJMESA-N 440.284 4.930 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2CC2CCCCC2)cc1Br 1653852443 HRQRPKTZTGAWMS-OAHLLOKOSA-N 429.355 4.583 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 1654808558 BIMXFIMQVXEGIG-AVRWGWEMSA-N 437.971 4.701 30 10 IJEE C=CCc1cc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CO)cc(OC)c1O 1656397665 QYVNPFZIEKDPML-CYBMUJFWSA-N 435.446 4.663 30 10 IJEE C#CCN(Cc1ccc(F)cc1)Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 1658348234 NJFKCYHOOGYYOS-FQEVSTJZSA-N 426.532 4.612 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)c1 1667045911 AJAHWGKEUBRTHO-NHCUHLMSSA-N 437.483 4.504 30 10 IJEE N#Cc1cc(NC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)ccc1OC(F)(F)F 1669353827 IFHYTJCHNHAOPD-OAHLLOKOSA-N 447.335 4.721 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(O)CCCC(C)(C)CC1 1672712499 QTZYZUAFFJMQPA-HXUWFJFHSA-N 425.367 4.857 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)cc21 1673307447 RJEDDCFKTUKDET-UHFFFAOYSA-N 441.576 4.723 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Cl)cc1F 1676321162 OQZMKOIONQUMFJ-HXUWFJFHSA-N 442.918 4.736 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl 1677639193 OHPUOMMLAHJGCM-LJQANCHMSA-N 428.964 4.560 30 10 IJEE C#CC[C@H](NC(=O)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1679189932 HXILJGTZAKDYQN-VXKWHMMOSA-N 439.600 4.868 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cn2cc(Br)cc(C)c2n1)c1ccc(F)c(F)c1 1681231861 WXPPCZLRJDVVDW-SFHVURJKSA-N 449.299 4.800 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1cccc(OCc2ccccc2)c1 1682067419 FDWRLOPJAVFDFD-NRFANRHFSA-N 440.547 4.730 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)c1ccc(Cl)cc1F 1682366388 FHBUCYINPAENDC-MSOLQXFVSA-N 436.712 4.858 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CCC1CC1 1690220930 FZBQHPVLQIRAEL-UHFFFAOYSA-N 441.377 4.870 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1ccco1 1690256150 FNKGBEXYTFEHSM-CPJSRVTESA-N 438.572 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1ccco1 1690256151 FNKGBEXYTFEHSM-NBGIEHNGSA-N 438.572 4.938 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)C)CC1 1690421126 XCNJTALNTXJRTJ-UHFFFAOYSA-N 433.547 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCCCC1=O 1690586198 HCEGUBLLOGWBFI-UHFFFAOYSA-N 427.980 4.570 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1C/C=C/CC 1690605772 WUCGFOWTIUMYSV-VOTSOKGWSA-N 444.377 4.840 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690629492 ZWKDYFGZCNPTEE-UUOWRZLLSA-N 428.577 4.644 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C)C1 1690743817 FYUBHLZRGKZXKY-GOSISDBHSA-N 449.665 4.548 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1CSC 1705527589 CSHGBYZQTVQEDG-KRWDZBQOSA-N 433.419 4.761 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1705531284 DXJNWQSSCBCGEH-UHFFFAOYSA-N 431.437 4.856 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](c1ccco1)N(C)C 1705545729 LJHIIHGVFBRRKH-IBGZPJMESA-N 449.555 4.778 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)C(F)(F)F)CC1 1705635813 LXEQCMZOMAKERW-UHFFFAOYSA-N 447.549 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC1CC(OC(C)(C)C)C1 1705670236 MDEALBJXWLUXED-YDJYNLAZSA-N 431.584 4.793 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCc1ccc(OC)c(OC(F)F)c1 1705673208 SYVDVRYGROJWRY-XMMPIXPASA-N 444.526 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1705698813 YXMYNIHRBZKGFD-KSPYYYPUSA-N 440.588 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)c2cccs2)CC1 1705778567 BDCWXXOQGPKYQL-JOCHJYFZSA-N 428.989 4.970 30 10 IJEE C=CCCCn1c(N(C)[C@H](C)c2cc(F)ccc2F)nnc1[C@]1(OC(C)C)CCOC1 1705823535 OIUNWICMGRQTKA-HXOBKFHXSA-N 434.531 4.761 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1 1705847013 BOFDHPHSMGJAAQ-HXUWFJFHSA-N 435.018 4.815 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC[C@H](C)N1CCCCC1 1705865786 WNDZSELOJWJYIO-FQEVSTJZSA-N 436.629 4.859 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1C 1705878995 JKSKENUIZCANRU-UHFFFAOYSA-N 434.931 4.573 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1705950104 RNHTZYWZTHPHIF-ZSYWTGECSA-N 447.649 4.504 30 10 IJEE C[C@@H]1CC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 1707989842 CLLSHSYNXAIQLV-TZTBWOIPSA-N 443.636 4.530 30 10 IJEE N#CC1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2CCCC2)CC1 1712882556 DGNJXVKUPLHZNA-UHFFFAOYSA-N 444.377 4.550 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC(C)(C)c1cccs1 1722302585 JODDCYLANMVKTA-GOSISDBHSA-N 438.597 4.753 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1722309149 VUXVGKWBPVOAOW-RXVVDRJESA-N 430.593 4.939 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722399643 XTNRUXHZFTVGDT-AZGAKELHSA-N 446.639 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1ccc(OC)cc1 1722472049 ACDIGLSAWGGPGH-RUZDIDTESA-N 449.624 4.612 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)C/C(C)=C/c1ccccc1 1722488123 AVQPGNTVITUXCV-SFQUDFHCSA-N 438.373 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722512623 GZTFVHBIKAQNNR-FQEVSTJZSA-N 427.593 4.897 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCCC2(C)C)CC1 1722579108 KJORHKSKJMQYST-AREMUKBSSA-N 438.616 4.818 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1nncn1C 1722601583 IQPIRAGYPLEXAY-GOSISDBHSA-N 429.931 4.564 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Cc1cccs1 1722657375 ZSKHSMHYYQRLKQ-SIKLNZKXSA-N 447.608 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCCc1nccs1 1722660421 VPUFIZBPGWXPRS-IBGZPJMESA-N 441.576 4.593 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722703662 YZJVELMPRRVYNI-CVEARBPZSA-N 431.968 4.524 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCCC1(C)C 1722863136 HYJIOECAGAXTCJ-QZMQVMSPSA-N 445.995 4.609 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)CC1 1731185771 DIYDPQNEOSSBKP-GOSISDBHSA-N 429.977 4.656 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1oc(CCC)nc1C 1740634727 DRLRBFYXURLAEQ-UHFFFAOYSA-N 442.350 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCC[C@H]1C 1740727942 GIHAENIZXLVBQA-UJUVCNOISA-N 433.383 4.795 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCCCN2CCC[C@@H](C)C2)CC1 1740834860 KENNTWQZEWHWQV-OAQYLSRUSA-N 437.632 4.868 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1740856049 YGFFJDYJYJIYAM-UNMCSNQZSA-N 437.632 4.846 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCCS1 1741960452 CSDCSKYAWZAONS-KPDCDPCYSA-N 443.592 4.973 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1748642772 QLWCRZCAXHGENM-APWZRJJASA-N 427.474 4.740 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(COCC(F)(F)F)c1 1748682067 PUZPDBRUVDNVSC-MRXNPFEDSA-N 448.514 4.516 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1748706157 BDUGOGPOVHPZPB-IAGOWNOFSA-N 431.353 4.742 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1748710443 PTRLLHXIWFTGEU-UHFFFAOYSA-N 429.609 4.575 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1749027901 VYZADFWYOLKXMV-UWJYYQICSA-N 436.581 4.809 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1749131355 RAAZHFUHJAOICS-WMZHIEFXSA-N 439.560 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](c3ccccc3Cl)C2)nnc1C(C)(C)C 1749139436 FFQDMXUNCSMDOY-QMMLZNLJSA-N 445.007 4.788 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@H](C)C2)CC1 1749343390 IFLFICGDQOTOPZ-NRFANRHFSA-N 439.623 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749355546 LAFJUTGYTZXYPV-HXUWFJFHSA-N 444.023 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749359270 XYRPXGPBLSGRPJ-KNQAVFIVSA-N 434.588 4.594 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1749431300 ZZNRICWPNCFCIS-RTBURBONSA-N 433.641 4.963 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)CN(C)C)C1 1749701836 ZNJJPTMOXDVCEC-JOCHJYFZSA-N 439.648 4.612 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760132412 IHLZUWXIGZILEP-OXQOHEQNSA-N 443.389 4.515 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760156839 VJVYQWLQXSXAHL-PZJWPPBQSA-N 443.636 4.554 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(F)c2)CC1 1760384448 XYJBDPGUVKYOLS-UHFFFAOYSA-N 430.325 4.574 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1760427086 OFTXFHBDDKVTIE-HXUWFJFHSA-N 437.975 4.931 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)S[C@H](C)C1 1760447974 UULTZETXLKDWJC-ZVDOUQERSA-N 444.645 4.958 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC1=CCCCC1 1760461804 HFJXGJWRLPKJKQ-UHFFFAOYSA-N 432.572 4.578 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@](C)(O)c1ccsc1 1760479514 RONRYYRPYIHZIF-DEOSSOPVSA-N 433.581 4.579 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760501772 BOODUSPMFOESDP-DVECYGJZSA-N 446.039 4.748 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1760562023 UUSGGPKKVRNKDG-ROUUACIJSA-N 430.618 4.752 30 10 IJEE CC(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C 1760874549 GQSURNHNMAKQNK-DVECYGJZSA-N 444.624 4.615 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl 1862385709 VVHRZNAZCMJBFE-LJQANCHMSA-N 448.302 4.926 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 1862390989 PYQRPTNXRFQDIC-LADGPHEKSA-N 449.547 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862411568 KUKOCSYLVRAODP-JOCHJYFZSA-N 437.417 4.925 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1ccncc1 1862456342 PKLYEKYXRIVESD-NRFANRHFSA-N 438.405 4.586 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862479568 KIFSIQFEUPGTMA-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(Br)c2)cc1 1862540089 FVUKSIPBHBKDFT-LJQANCHMSA-N 426.310 4.752 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862543352 FEEUZBYILVXVIC-UPVQGACJSA-N 431.532 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 1862547341 SEADPNFIQOAFAR-QHCPKHFHSA-N 446.503 4.995 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1CCc1ccc(F)cc1 1862589647 PTDNCACTANWJPR-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862596515 USZHSHWUNYQZBF-LJQANCHMSA-N 427.428 4.510 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC)c(O)c1 1862678087 NTJKALHWVGTMMQ-OAQYLSRUSA-N 427.472 4.699 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1C[C@H](C)O 1862721245 CGQSAXWVMFNMJE-UUOWRZLLSA-N 427.500 4.621 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)CCCN2C 1862721399 NZBUZBWGSUJPCW-XMMPIXPASA-N 426.516 4.820 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 1862725438 JEWBOWWATUBOTI-HJPURHCSSA-N 447.918 4.966 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 1862760702 UOWYQVHSVPWUGC-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1Cl 1862760742 VGGYFHNBJSPKNM-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)cc3Cl)=C(c3ccccc3F)C2=O)c1 1862926995 HFCTWWMBTVCMEF-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2cccc(C#N)c2)C1=O 1863076578 UAUQQHAIBOOSMV-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863132237 YGXNVEVNMWAVQU-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870153437 STYWTLCODOYXHQ-UHFFFAOYSA-N 433.830 4.976 30 10 IJEE CCCCCCCOc1cn(Cc2ccncc2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870835703 FONTUQCZOXKMAX-UHFFFAOYSA-N 449.551 4.982 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2cc(C)cc(C)c2)cc1=O 1870838735 REBHYMPOSFHTTE-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1cccc(C)c1 1871190268 AEIBYWLILOKLOW-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCC[C@@H](C)C2)n1 1871629465 MHBOUNBMUVKUDI-GOSISDBHSA-N 436.608 4.922 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871874738 VZZPNROLHMRUED-PGRDOPGGSA-N 432.561 4.754 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)c1cccs1 1871993896 MJLQQUKSILUWAI-JOCHJYFZSA-N 440.590 4.922 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872059575 MIGBACCTLIZBCO-QFIPXVFZSA-N 432.561 4.735 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1872614114 ZVJIJIJFNYMEPS-OAHLLOKOSA-N 437.433 4.917 30 10 IJEE COc1cc(-c2csc([C@H](C#N)C(=O)COc3ccccc3)n2)c(OC)cc1Cl 1872782389 IQKBJGYFYLTDCX-OAHLLOKOSA-N 428.897 4.736 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCSC[C@@H]2c2ccc(OC)cc2)CC1=O 1872976802 SASXVZVGNMRTSW-RBBKRZOGSA-N 432.630 4.521 30 10 IJEE C=CCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873085726 COJAKJLEWPTOAT-UHFFFAOYSA-N 447.538 4.933 30 10 IJEE CCCCc1nnc(S)n1/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c(C)c1 1873499163 HWUUQAHACQAXOT-MFKUBSTISA-N 446.580 4.961 30 10 IJEE COc1ccc2c(/C=N/n3c(C)nnc3SCc3cc(C)cc(C)c3)c(C(=O)O)[nH]c2c1 1873502007 ZYZWYBKFSHLDBN-BHGWPJFGSA-N 449.536 4.566 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NC[C@H](C)O)ncnc21 1873627761 LYKRORKHNKJFII-KRWDZBQOSA-N 435.572 4.909 30 10 IJEE C=C(C)CSc1nnc(C(C)(C)C)n1/N=C/c1cc(Br)cc(OC)c1O 1874482009 UUCREZSQPZLKQI-AWQFTUOYSA-N 439.379 4.603 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874489033 XBXIPGGVCDBLMH-WYMPLXKRSA-N 445.951 4.882 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2COc2c(C)ccc(C)c2C)cc1OCC 1874566605 FNPRRCAZSBKMRQ-ZMOGYAJESA-N 440.569 4.751 30 10 IJEE CCc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1 1874596779 CNGDSQXQGMJCTF-XYOKQWHBSA-N 443.499 4.934 30 10 IJEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)c1 1874617954 BVIJLELQVQKSDV-ZRDIBKRKSA-N 444.487 4.803 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)CCOc3ccccc3)c2)c1 1874706612 QIAGROTZWIWABM-ACCUITESSA-N 432.472 4.974 30 10 IJEE COc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)cc(OC)c1OC 1874708529 HEMJTHKIISPKJE-KPKJPENVSA-N 436.435 4.967 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2OC)c([N+](=O)[O-])c1 1875119064 BVXYLQGODDFLMJ-ACCUITESSA-N 433.416 4.727 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(Cl)cc1I 1889589305 PIXVJOXLLDSJJG-VIFPVBQESA-N 426.707 4.828 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 1912202948 NLKRGOFWOLHXKC-ZHRRBRCNSA-N 448.568 4.901 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(C1)CN(c1c(Br)cccc1C#N)C3 1965686422 QMYHRDBFKUJZAJ-SFTDATJTSA-N 432.362 4.548 30 10 IJEE C[C@@]1(Nc2cc(Br)c(C#N)cc2F)CCN(C(=O)OCc2ccccc2)C1 1999273450 KKIGWCAANOORMB-HXUWFJFHSA-N 432.293 4.673 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)cc1 2033306089 HYDQPTBYBAOFPM-AHRSYUTCSA-N 445.560 4.974 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2055774843 MCNVCRZLPNSGQU-XCGNWRKASA-N 448.568 4.852 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)c(O)c1 2079137752 DDFIDIJCMPBASM-SFHVURJKSA-N 435.309 4.886 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 2159126171 RZITYPYNVNSRHR-IRXDYDNUSA-N 441.414 4.574 30 10 IJEE CC(C)(C)OC(=O)N1Cc2sc(=Nc3cccc(Br)c3C#N)[nH]c2C1(C)C 2162325466 XFEBZCSGKDXPOE-UHFFFAOYSA-N 449.374 4.929 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@]12CCCC[C@H]1N(C(=O)OC(C)(C)C)CCC2 2180957271 LOMQQCILEFXAQW-DYESRHJHSA-N 441.410 4.870 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F)NCC 2212102146 BBGIVYBFDYBBLN-AUSIDOKSSA-N 426.548 4.924 30 10 IJEE CCCc1ccc(C#C[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223326783 QZDKYEVDZSPIFO-OPXMRZJTSA-N 436.596 4.817 30 10 IJEE CC1(C)OB(c2cccnc2Nc2c(Cl)cc(F)cc2Br)OC1(C)C 2232270625 JYDOAAAYDLAFJN-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CN(Cc1ccccc1)C1(CNc2ncccc2B2OC(C)(C)C(C)(C)O2)CCCCC1 2232318324 LHGLQVAFRLKOHB-UHFFFAOYSA-N 435.421 4.628 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1CC1CC1 2233326152 WOOVOGMHUZPJMY-CRAIPNDOSA-N 441.414 4.566 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@]1(C)NC(=O)OC(C)(C)C 2235725294 JEWQHQUMFAAIIQ-KPLVRAHFSA-N 435.406 4.862 30 10 IJEE C[C@@H]1CC[C@@](O)(C(=O)C#Cc2ccccc2Br)[C@H](OCc2ccccc2)C1 2235730617 VVABCDFWFLNFTM-NLSFWIRASA-N 427.338 4.506 30 10 IJEE C[C@H](C#N)C1CCN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243917984 ZOFGUVAQZFNGLA-LJQANCHMSA-N 445.563 4.704 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)CC(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2247919945 USPCEPPVLUELCK-UHFFFAOYSA-N 439.308 4.560 30 10 IJEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2255531403 ZGUVSGKZWACWKX-GOSISDBHSA-N 425.378 4.964 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)ccc21 2255654345 VTGGWOQHULNYKG-UHFFFAOYSA-N 428.338 4.549 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)CCCN(C(=O)OC(C)(C)C)CCC1 2261822013 ZLYHTLZBZZCVBY-UHFFFAOYSA-N 447.572 4.801 30 10 IJEE C=C([C@H](NC)[C@](C)(O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2266556217 FHRYFGLYAPVPTM-WCQYABFASA-N 427.278 4.502 30 10 IJEE Cc1cnc(C(=O)N(Cc2ccccc2)Cc2cccs2)c(B2OC(C)(C)C(C)(C)O2)c1 2267582390 ZAIUFBOBNAJAEG-UHFFFAOYSA-N 448.397 4.593 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)C1 2268724081 HARBIGBORQBTEL-UHFFFAOYSA-N 442.365 4.827 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2296098545 ATSIYHMOLFCLTI-OAQYLSRUSA-N 432.407 4.669 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2296215841 DZHYVNHXMCIMHV-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296300589 KHLQOBYNCJFQRU-JGCRXCKMSA-N 439.369 4.551 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2296304416 HCVAGZZPJYQKHP-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CCOC(=O)C(C(N)=O)=C1O[C@H](c2ccc(Cl)cc2)CC1=Nc1ccc(Cl)cc1 2296650783 NCQNKFDCRGPNIK-KRWDZBQOSA-N 433.291 4.530 30 10 IJEE CC(C)(C)OC(=O)N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2317355095 UTIMPNUTGQEGNW-OUKQBFOZSA-N 430.354 4.505 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322145680 UIKMKEVOPHCKES-UHFFFAOYSA-N 444.325 4.644 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1OC(=Cc1ccc(CC)cc1)C2=O 2323992231 JCIHHOMQSYZOSC-UHFFFAOYSA-N 437.536 4.736 30 10 IJEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc(C(=O)OCC)o2)c1 2325589773 MPHKNXHXCIVHLR-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(C)c2)c(Br)cc1OC 2325714091 ITCXJNLPJICXSQ-UHFFFAOYSA-N 433.298 4.986 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1sccc1C 2326876366 LVXYVFWDVONANS-UHFFFAOYSA-N 432.571 4.933 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2328056290 VEHCGHWHGDFKIX-UHFFFAOYSA-N 440.956 4.965 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(O)c1)Nc1ccccc1 2330223028 OFNNZTZSJRWRCA-UHFFFAOYSA-N 449.580 4.720 30 10 IJEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)c1O 2330845669 JMULBYITNFPOMX-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccn2C)c1 2331018366 SBIVHFCGVUJOOY-UHFFFAOYSA-N 436.585 4.504 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cnccn1 2331329938 YXULVCFIAKIDRI-UHFFFAOYSA-N 428.488 4.946 30 10 IJEE CCCOc1cccc(C=Nn2c(CCC)nnc2SCC(=O)N(CCC)CCC)c1 2331659469 IQDKVRARSYPICW-UHFFFAOYSA-N 445.633 4.642 30 10 IJEE CCc1csc(C#C[C@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)n1 2338650236 BLWYLXYNTJZANV-INIZCTEOSA-N 436.375 4.867 30 10 IJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Br)ccc1I 2339573217 UFWDSGRFWCODMG-IAQYHMDHSA-N 432.143 4.754 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576446 IGRBLHHYFFJKLB-RBUKOAKNSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2339584697 FECRQCOFSWHWDC-SFHVURJKSA-N 442.365 4.505 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3ccc(Cl)c(Br)c3)C2)OC1(C)C 2342482680 OBVRSEARLAFUQM-SFHVURJKSA-N 428.563 4.801 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)CCCc3ccc(Br)s3)C2)OC1(C)C 2368348677 DWOKJAFMYYAYDU-IBGZPJMESA-N 442.228 4.918 30 10 IJEE CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 9861144 NKCJGFFFGJNGCZ-FQEVSTJZSA-N 428.319 4.995 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F 14092533 ZLMUELQDLDCFTE-UHFFFAOYSA-N 446.498 4.999 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)cc2C1=O 18238866 JRMXHGQESHWTCW-UHFFFAOYSA-N 428.444 4.522 30 10 IJEE CCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)cc1 38622894 LCRAWOJODITBMX-GOSISDBHSA-N 430.504 4.753 30 10 IJEE CCc1cccc(N/C(=N\C(=O)c2ccc(Br)cc2)NCc2ccncc2)c1 45940661 ZCIRXYYLOSCHGH-UHFFFAOYSA-N 437.341 4.805 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cccc(C(F)(F)F)c1 58946168 AIYROJRKXMIVEF-WZTHKDHVSA-N 441.862 4.949 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 62887742 XUWFQFKTKKRJJY-UHFFFAOYSA-N 439.493 4.564 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2F)no1 102508603 YBYYMAIRTFNKED-AGGMBTAESA-N 436.439 4.536 30 10 IJEE CCCOc1c(Cl)cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cc(=O)[nH]2)cc1Cl 169897245 TZSBINTVCLLGHQ-MSXFZWOLSA-N 447.322 4.987 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929733 RCZNXIDUCZIGTF-IBGZPJMESA-N 438.480 4.691 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(C#N)cc1 169945487 CBIJIPCUCDCYSB-DEOSSOPVSA-N 449.466 4.831 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OCC(C)C)cc1 169990273 CRMXTYRXYUIMGW-HSZRJFAPSA-N 449.503 4.692 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2ccco2)c1 170038912 KLNNOACEOZHBCB-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)s1 170048151 SNSOODKCZXKWBO-HXUWFJFHSA-N 433.533 4.609 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170118085 BEZZUAFRHDYJCB-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccccc1C 170272840 RPQLKBIAUYGMDT-XMMPIXPASA-N 438.483 4.967 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccco2)cc1 170281078 HMALQEAIEPWTKP-QFIPXVFZSA-N 431.444 4.915 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306167 CULYOQIHQQNZTL-IBGZPJMESA-N 440.358 4.557 30 10 IJEE CN1CCC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H]1c1cccs1 442222599 ZSAAQHSYTSVJBE-FZKQIMNGSA-N 438.475 4.723 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CCOC)Cc1ccccc1 460953663 AUCDJJZBQPUHJU-ZEQRLZLVSA-N 432.568 4.752 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](COc4ccccc4)C3)cc2)cc1 483846546 GSSPWUCCWSRSDD-DEOSSOPVSA-N 429.476 4.662 30 10 IJEE CCOc1ccc(-c2nc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)sc2C)cc1 502574743 BZKGMEKCYZLYPY-JOCHJYFZSA-N 429.542 4.717 30 10 IJEE COc1ccccc1COc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1C 503627176 KCRPTQKUXOYZOT-RUZDIDTESA-N 438.524 4.783 30 10 IJEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508880485 LDWUOTHORSHRFO-MRXNPFEDSA-N 449.584 4.712 30 10 IJEE Cc1ccc(CSc2nnc(C)n2/N=C\c2cc(Br)ccc2O)c(C)c1 526810639 DWICXCGOXUWKOW-FBHDLOMBSA-N 431.359 4.846 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OC2CCCCC2)CC1 555258568 OVWWBBPZIBBXDH-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N(CCOC)Cc1scnc1C 566765970 RESKDDQZQRSFDB-UHFFFAOYSA-N 433.581 4.626 30 10 IJEE C=C(C)CN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586257855 CHRPZSNFEFGAFL-UHFFFAOYSA-N 439.961 4.917 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccccc2Cl)n1)c1nc(C(=O)OCC)cs1 608940056 KUPYCALAGYLTLH-UHFFFAOYSA-N 433.942 4.930 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc2)c1 609065109 XCBYHBKBCZYVAK-XMMPIXPASA-N 441.487 4.507 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 609385216 DICHINUJLHFJCN-VQTJNVASSA-N 448.636 4.935 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1cccnc1 623014765 HPMQPYCRPJHVBX-HZPDHXFCSA-N 433.537 4.630 30 10 IJEE C=CCn1c(Sc2nc(CN3CCCC3)nc3sc(C)c(C)c23)nnc1C1CC1 669624485 HTFIGABNVOTBFS-UHFFFAOYSA-N 426.615 4.710 30 10 IJEE CC(=NNc1ccc(Br)cn1)c1ccc(OCC(=O)Nc2ccccc2)cc1 727266027 GQIZJXQQBMMJTR-UHFFFAOYSA-N 439.313 4.698 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)n1 731223153 AIJSPZVEKSYKDF-OALUTQOASA-N 447.589 4.696 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)cc1OC 751310089 YGWQXDGEKWTCKZ-FYWRMAATSA-N 443.547 4.909 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CCn3c(cc4cc(Cl)ccc43)C2)c1=S 754851995 IEXMUBZFMBOSNU-UHFFFAOYSA-N 436.972 4.743 30 10 IJEE COc1cc(C(=O)/C=C\c2ncc(-c3ccccc3)s2)ccc1S(=O)(=O)C(F)F 770571964 AMSDHIHTSIOMKU-NTMALXAHSA-N 435.473 4.711 30 10 IJEE C=CCc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1ccccc1C#N 1083917026 ZCROIGAZQNVHES-YWIDBZNQSA-N 447.560 4.796 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)c2ccccc2)n1 1084499270 YZRPWSWPIZNXHS-UHFFFAOYSA-N 438.582 4.650 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1 1125088185 UYJRFNDATUWHJS-UHFFFAOYSA-N 432.611 4.521 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)c2)cc1 1125940165 AQKYCZKGDSJWRO-INIZCTEOSA-N 433.414 4.620 30 10 IJEE C=CCn1cc(CNC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)nn1 1130122071 HVNOJFDKRSNDGP-UHFFFAOYSA-N 430.533 4.702 30 10 IJEE C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)[C@H](C)N1Cc1ccccc1 1130668304 HESZYEDHKBXHTA-PCCBWWKXSA-N 443.547 4.854 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CC2(C)C)c1 1131467388 YLAAGSBWFKVKFN-GOSISDBHSA-N 447.000 4.839 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@@H]1Oc1ccccc1 1138691128 BJDZLXRDEMSOMI-GPUOULLFSA-N 428.488 4.705 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 1150675469 WUYOGVNQHSNWRJ-MRXNPFEDSA-N 432.870 4.626 30 10 IJEE C#C[C@H](CCC)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1156783728 VZHWZDZMOSORJG-HXUWFJFHSA-N 440.609 4.933 30 10 IJEE C[C@@H](C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)n1ccc2ccccc2c1=O 1162667638 GGYWKPVUSASJNN-CVEARBPZSA-N 427.426 4.522 30 10 IJEE C=CCn1c(SC/C=C(/C)C(=O)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1188129899 WLASKPXCUBHQNF-RAXLEYEMSA-N 444.553 4.970 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2cccc(C)c2C)CC1 1206195037 VQTHCRYYFCVEOH-UHFFFAOYSA-N 444.373 4.985 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC([C@H](O)c2cccc(OC)c2)CC1)c1ccc(F)c(F)c1 1226658406 BRHTUPZUQQZXKF-PKTZIBPZSA-N 430.495 4.746 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F 1229989936 PCCDBJBXELWQHQ-OXJNMPFZSA-N 426.866 4.577 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1c2ccccc2OC[C@H]1CO)c1ccc(C(F)(F)F)cc1 1230694419 UFZDFHTWHBPVNU-OZOXKJRCSA-N 434.458 4.754 30 10 IJEE C=CCN(CC=C)C(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1233532511 PWGWYYAJKYEVGW-UHFFFAOYSA-N 445.357 4.920 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccccc1OCC=C)c1ccc2c(c1)OCCO2 1264221567 ZOZMVLVGMFAFFB-UHFFFAOYSA-N 439.511 4.780 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 1264606926 GEOCPBASXSDSQK-XMMPIXPASA-N 429.495 4.840 30 10 IJEE C#CCCOc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 1264792585 KVRMDPSOJHNGOW-UHFFFAOYSA-N 431.454 4.586 30 10 IJEE CC[C@H](C#N)N(C)C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1277463775 BSUILUDNMNRSRF-CYBMUJFWSA-N 444.379 4.773 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1c(C)noc1C 1286436788 VVORVIITPQZEKP-CQSZACIVSA-N 442.361 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)CN1CCCC1 1286438388 YUXYUVWAGJDCQR-LJQANCHMSA-N 448.640 4.568 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1noc2c1CCCC2 1286440945 NRDBIDYQMOXFEN-UHFFFAOYSA-N 430.339 4.627 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)OC1CCCC1 1286536944 UONPXOKJYZUQJH-CQSZACIVSA-N 439.329 4.776 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1cc(Br)cs1 1286547265 NSUCSYORYNRNHU-RHSMWYFYSA-N 439.423 4.843 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1286626528 YVBDOCOPTWIJQA-QHCPKHFHSA-N 446.979 4.502 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1286652021 RLPZLWHLWKMAFT-YLJYHZDGSA-N 442.007 4.700 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1286703812 SLKAIIPMVPSCLL-IBGZPJMESA-N 439.633 4.509 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1cccc(F)c1F 1286763975 BCCUTVZMCZPKEL-LJQANCHMSA-N 442.510 4.521 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2sc(-c3ccc(C)cc3Br)nc2C)CC1 1293033972 SDGZJBDMSIMIRP-UHFFFAOYSA-N 448.430 4.960 30 10 IJEE C=CC[C@H](NC(=O)c1cc(C)c(Cl)cc1I)c1ccncc1 1293577681 OPDNCAUXIDVPFC-INIZCTEOSA-N 426.685 4.695 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1296483844 DCVNGTRDGACMQQ-UEXGIBASSA-N 427.618 4.598 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)c(F)c1 1296653596 VLXBBWXLGQBBHB-QHCPKHFHSA-N 446.453 4.808 30 10 IJEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)CCC1 1299790950 GSJOAUGKRGAVEC-OAQYLSRUSA-N 437.588 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=C)Br 1300563340 HKDRQJSDQZLXOB-UHFFFAOYSA-N 443.414 4.647 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCN(CCC)C(=O)OC(C)(C)C 1300605272 ZYYDQCALVGAKHR-UHFFFAOYSA-N 445.995 4.705 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC2(CCC2)C[C@@H]1CC 1300766184 WFJOKTNIFDYLOE-KRWDZBQOSA-N 430.568 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300816149 IZLIICOQIDINLW-VHFRWLAGSA-N 449.643 4.532 30 10 IJEE C=C(Br)Cn1c(N(Cc2ccccc2)CC2CCOCC2)nnc1C(C)(C)C 1300861199 BSJWPFRMTIXRTA-UHFFFAOYSA-N 447.421 4.917 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)[C@@H](C)CC 1300904609 BXUQUQWFHWHBOZ-KKSFZXQISA-N 435.410 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCC[C@H]1C 1300917501 HIKHVCXKKKOQPO-LJQANCHMSA-N 431.575 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCO[C@H](C)C1 1301143661 NBYSXWWDQKEKCI-MRXNPFEDSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC=C(COC)CC1 1301175507 CPACJGBLGXEHJY-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1301176635 GZTJWBFOVDLYLL-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)C1 1301428831 YHMSISKMSHEZMG-KBMIEXCESA-N 444.575 4.812 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CC(C)C)CC2)C1 1301567082 FNJZWOWUAMNOCC-NJDAHSKKSA-N 430.637 4.804 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N(C)Cc1ccc(Br)o1 1301603884 IHGQILMLYMTHKF-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1305476325 DBSPHEKMWCTRIB-CYFREDJKSA-N 439.579 4.809 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1CCSC(C)C)[C@H]1CC[C@@H](C)C1 1316075311 BLNOIXARMSPFOO-NQIIRXRSSA-N 427.618 4.600 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 1320321306 ZVTVKLKUQISANI-OAHLLOKOSA-N 441.534 4.773 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccccc2)C1 1321788427 JAQRSPVFACTNGK-HXUWFJFHSA-N 439.357 4.537 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc(OC)c1OC 1358048514 BEBLHDKQHSOGQM-UHFFFAOYSA-N 429.516 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SC)c1 1358872652 XDHSONRNFDFBSC-HZPDHXFCSA-N 441.988 4.695 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H](C(CC)CC)N(C)C 1359005353 FGMSZBCZNSVTLB-HXUWFJFHSA-N 446.437 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS[C@H](CC)C1 1359094113 XFPRDBJJMWZSGK-RLLQIKCJSA-N 433.021 4.912 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCS[C@H](C(C)C)C1 1359126838 AOLMAANOYNXXEA-VXKWHMMOSA-N 428.646 4.991 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](C)SC)CC1 1359162479 RYYZEMAGWOUERK-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1359181303 NNLJVZUCRWVHMV-WIOPSUGQSA-N 438.616 4.937 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(Cn2cccn2)CC1 1359208205 HNFYTOGMHQETTP-IBGZPJMESA-N 438.551 4.637 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C[C@H]1CCOC1)C1CC1 1359209601 RYZOBABNNZGYQG-OAHLLOKOSA-N 449.368 4.818 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1359215207 XJAYIWSCNLALOR-NQIIRXRSSA-N 439.560 4.640 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1359232806 FXGWMAPATKARRH-VWLOTQADSA-N 431.540 4.541 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C)c1ccc(OC)cc1 1359232868 IIMMCDHOTWHXDY-HNNXBMFYSA-N 444.377 4.860 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC(C)(C)CN1CCCC1 1359256531 ITVYCAKXHGMJNG-UHFFFAOYSA-N 432.616 4.732 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@H](c1ccsc1)N(C)C 1359260637 KCWYDPCDZSNUAP-OAQYLSRUSA-N 425.577 4.852 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1359340721 XBSSNOFNRMPPPT-INIZCTEOSA-N 448.017 4.552 30 10 IJEE C[C@H](OC(=O)COc1cccc(Br)c1C#N)c1ccc(OC(F)F)cc1 1360234848 ARAKBYDKNVSZBZ-NSHDSACASA-N 426.213 4.605 30 10 IJEE C#CCN(C(=O)Cc1ccc(Cl)c(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1360557045 LTVLTOWDNDYHSZ-GOSISDBHSA-N 436.708 4.770 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 1435993149 BAQQRJBPNMMWNZ-UHFFFAOYSA-N 435.362 4.645 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 1445582880 LDJGIPLUEMJXCP-MOPGFXCFSA-N 432.561 4.873 30 10 IJEE C=CCn1c(SC[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nnc1-c1ccccn1 1458984164 HAPKMPKRFKCYGE-MAUKXSAKSA-N 432.471 4.800 30 10 IJEE N#Cc1ccc(OC2CCN(Cc3noc(-c4c(F)cccc4Cl)n3)CC2)c(F)c1 1460067932 FWYQFYKWSKTCPY-UHFFFAOYSA-N 430.842 4.583 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H]2CCC[C@@H]2C2CC2)nnc1-c1ccc(Cl)cc1 1460906730 NCYXPXBTCLXHOK-IEBWSBKVSA-N 431.005 4.819 30 10 IJEE N#Cc1cc(Cl)ccc1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1461546172 AJHQYEHUYIMNLQ-KRWDZBQOSA-N 439.821 4.788 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1463209961 XWUOXFBPUWIEJH-LJQANCHMSA-N 444.984 4.662 30 10 IJEE C#CCCCS(=O)(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1464590743 YGBFKKRDFHIQRX-UHFFFAOYSA-N 440.334 4.556 30 10 IJEE C#CCN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCCc2ccccc21 1472071307 XISCRQNHGMZONT-FPOVZHCZSA-N 441.358 4.886 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(SC(F)(F)F)nc2)cc(OC)c1OC 1476729600 OGJJMJLHGRSRBN-UHFFFAOYSA-N 427.448 4.761 30 10 IJEE C=CCCC1(CNC(=O)N2CCC3(CC2)CO[C@H](CNC(=O)OC(C)(C)C)C3)CCCC1 1478968051 QQOSKMMQVSYRHU-FQEVSTJZSA-N 449.636 4.618 30 10 IJEE CCN(CC)Cc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC#N)CC1 1501918277 AKXBRKGYUBTGPB-UHFFFAOYSA-N 446.599 4.867 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1507567804 OYHSDJPRFBJIQJ-HXUWFJFHSA-N 434.506 4.877 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccs1 1507570755 JANVKFZJFFPGQT-OAQYLSRUSA-N 431.565 4.935 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1507577123 ODXYWTWGMMVDIS-HXUWFJFHSA-N 428.895 4.630 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOCC)CC1 1507682689 UBPXGJIDJJKGSN-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CC[C@H](OCC)C(C)C 1507763453 VRQDNOYYJJQZAT-JYFHCDHNSA-N 431.584 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H](C)CCC 1507797907 SYKMHVVUTGILGJ-JUXOCIIHSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1 1507806022 LYJJICBGKBVKQK-WIOPSUGQSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCCCC1 1507822301 TYXHZPAXZLIENX-UHFFFAOYSA-N 425.621 4.752 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(CSC)c1 1507826549 SGXSBWUJOPSOBV-UHFFFAOYSA-N 446.624 4.830 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1507930012 XKWOUOHLHNZSOH-YLJYHZDGSA-N 429.996 4.843 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1CC1([S@](C)=O)CC1 1508009576 SQHKEEOGKGXSCQ-PMERELPUSA-N 440.638 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1Cc1nnc(C(C)(C)C)s1 1508021865 RQLOSILKNYIEAZ-UHFFFAOYSA-N 438.601 4.541 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1514334429 GEJVLTGIPHFCCL-CYBMUJFWSA-N 434.491 4.965 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)C(F)(F)F)cc1 1525856488 OZWPZAHIODISAU-QGZVFWFLSA-N 439.315 4.728 30 10 IJEE CCOc1cc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc(OCC)c1OCC 1529344852 DAJPGWLWWQZMBG-UHFFFAOYSA-N 445.519 4.996 30 10 IJEE Cc1cc(C(=O)NC(C)(C)Cc2cccc(Br)c2)nn1-c1cccc(C#N)c1 1531480625 IETVPBMLRREFQO-UHFFFAOYSA-N 437.341 4.566 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)cc1 1535140912 GBGIVYKGLZNJGJ-SQFISAMPSA-N 436.508 4.701 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc([C@@H](C)OC)n1 1538984719 OKSNOCXRFTUEKA-IAGOWNOFSA-N 437.613 4.913 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1539078692 DWOKXZYFYABYOU-HSZRJFAPSA-N 436.600 4.530 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)c1ccccc1 1539185345 CCUMZOLFDNPOMH-WJOKGBTCSA-N 448.470 4.507 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1539278745 KLRRMBPUTIJOPV-AUSIDOKSSA-N 443.016 4.644 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(CC)CCC1 1539399769 SJKFWIWPWQLDKY-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1539599424 FFSIQHOMHBGOQZ-PZJWPPBQSA-N 447.421 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)CCSC 1539636649 LNDAWTOFWRDBDG-LZNRXBQRSA-N 432.609 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2ccccc2Br)nnc1C(C)(C)C 1539642126 PDLGSYYUDQRFQB-HKUYNNGSSA-N 447.421 4.956 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1539660085 RTZWEPGEIISCGW-QHCPKHFHSA-N 449.599 4.631 30 10 IJEE C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 1539698539 XIQHHEXXHYSAAN-UHFFFAOYSA-N 429.471 4.628 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCc2c[nH]nc2C)CC1 1539831377 HQRNKDGKMCYUBC-UHFFFAOYSA-N 441.377 4.528 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1539948215 VFTMVZCMQSXEHQ-RTBURBONSA-N 427.618 4.834 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1539974276 OAUWKFRBQFIEAK-HXUWFJFHSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCSC1(C)C 1540048569 YRFHTQXMSPNBCQ-ROUUACIJSA-N 430.618 4.971 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OC)C1CC1 1540101624 JAGFQAGXLUTHSL-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@]1(C)CCCO1 1540147247 OGTJPFBJQGLBFA-QHCPKHFHSA-N 426.561 4.831 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1540854591 RUPWBPJKNCFEKW-GOSISDBHSA-N 426.362 4.882 30 10 IJEE C=CCSCCn1c(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)nnc1C(C)(C)C 1540922518 QATJLTLSXVUKCS-KRWDZBQOSA-N 443.617 4.649 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1541118696 FWWOCYSDQZFCNX-HNNXBMFYSA-N 448.518 4.573 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCO[C@H]2CCCC[C@@H]2C)c2ccccc2n1 1542180997 HCBVJGAMDXNRSG-IMWIBFENSA-N 446.599 4.993 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1555856905 HQXPNLYERYWGDG-WMZHIEFXSA-N 445.608 4.694 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1=O 1555937327 AKUZKDBVGXUHQX-FQEVSTJZSA-N 448.615 4.624 30 10 IJEE N#CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCSC(F)(F)F)CC1 1555989563 BJHJNPDGPULRPE-UHFFFAOYSA-N 429.899 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccccc21 1556560195 BDYLKGQMJBLICZ-IBGZPJMESA-N 431.536 4.983 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)CC(=O)c1ccc(OC)cc1 1556967185 AZJSACAOPXLKOE-CQSZACIVSA-N 432.314 4.870 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 1557827427 JTIBSLZMDLYCHQ-UHFFFAOYSA-N 438.890 4.683 30 10 IJEE N#Cc1ccc(NC[C@@H](c2ccc(Cl)cc2Cl)N2CCc3sccc3C2)nn1 1559068532 GSLTXPDTKSRYEY-SFHVURJKSA-N 430.364 4.928 30 10 IJEE C=CCN(CC1CCCCC1)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 1559148116 USULHHCNFWPNDW-UHFFFAOYSA-N 426.870 4.872 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 1559180953 BTERQQKUICMEHX-SFHVURJKSA-N 434.927 4.903 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)c1ccc(F)c(F)c1 1561487849 SXGXDCWFEQQOQI-XCLFUZPHSA-N 445.915 4.628 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](c1ccco1)N(CC)CC 1562928344 DDCFVWQERGEBIL-QGZVFWFLSA-N 436.350 4.812 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1565208347 DGBIZAGIGRBRPE-LJQANCHMSA-N 439.556 4.949 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1568283531 KHDAGHIHLLVBKG-LOSJGSFVSA-N 432.564 4.714 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)n(-c2ccccc2Br)n1)c1ccc(Cl)cc1 1584690722 WVXIETHAYHKFGP-KRWDZBQOSA-N 428.717 4.701 30 10 IJEE C=C(C)[C@H](NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1ccc(F)c(F)c1 1585436484 USHJJOLIBVEXJN-FQEVSTJZSA-N 428.460 4.907 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC2(C(C)(C)c3ccccc3)CC2)nnc1-c1ccco1 1587397243 JSNCJSRPEROYPR-UHFFFAOYSA-N 436.581 4.833 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOCC2(CC2)C1 1587793863 VXGMTGKOGJQMMV-UHFFFAOYSA-N 431.005 4.644 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1587820904 XOSLFBVFJPFPEF-BVZFJXPGSA-N 438.572 4.615 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1587838439 VJLWFELKFXSXTN-SFHVURJKSA-N 442.972 4.660 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(C)(C)C)C1 1588983667 BICSNPQANHDJGZ-QZTJIDSGSA-N 430.593 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1CC(=C)Br 1589162598 DPMJNIFRSRYKIR-OAQYLSRUSA-N 425.374 4.649 30 10 IJEE C=C(Br)Cn1c(N(C)C[C@@H]2CCCCO2)nnc1C1(c2ccccc2)CCC1 1589460237 MUXUYFZSSXDGCY-IBGZPJMESA-N 445.405 4.662 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccccc1F 1589530646 XQZUMKPMCNGSFH-NFBKMPQASA-N 435.547 4.795 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C)CC1 1589568884 NAAKTDRILKIRRX-XMSQKQJNSA-N 430.980 4.728 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)OC1CCCC1 1589570551 VKXOMJQCBQTBJI-GBXCKJPGSA-N 440.588 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)CCC)CC1 1594484422 RMONJXULEGMEGN-UHFFFAOYSA-N 448.615 4.914 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C#N)C1 1594567867 RZXRIQWFBNJYHR-QUCCMNQESA-N 443.979 4.773 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1594635276 SYERCTQIWIXMFZ-UHFFFAOYSA-N 447.427 4.941 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1595142217 PIUPBGZGUXBWIV-AABGKKOBSA-N 445.677 4.934 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)c1ncc(C)s1 1595261620 SYAMVQLYWPRORI-FXAWDEMLSA-N 441.601 4.916 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCO[C@H]2C(C)C)C1 1595700078 KJYMZEFRDGOHST-CDXJDZJCSA-N 448.970 4.580 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc21 1598316171 MCJVRNALFFGXBV-KRWDZBQOSA-N 426.561 4.834 30 10 IJEE C=CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCN(CC)C3 1613388541 CRQZNHDIQSZJGO-UHFFFAOYSA-N 441.622 4.892 30 10 IJEE C/C(=C\C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccc(F)cc1 1616284657 LWYGASBQBJRVET-BHAGLWOSSA-N 431.298 4.858 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cc(OC)ccc2I)CCCC1(C)C 1622987132 KWYXOOLWNYNJSN-MRXNPFEDSA-N 428.314 4.898 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCc2cccc(C)c2Br)cc1C#N 1623273538 ADYNZTWCGMOHKL-UHFFFAOYSA-N 431.290 4.519 30 10 IJEE C=CCC[C@H](C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 1625484149 FLAZFRQDMGBKPG-IBGZPJMESA-N 430.470 4.740 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 1626744610 GMRMJYHXGSVQKE-ZJSXRUAMSA-N 439.625 4.507 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)Cc1cccnc1 1627675221 FOCDTVVWRNOBSO-OAQYLSRUSA-N 443.975 4.689 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)c1 1628500490 LPIFWSJESBQDJR-UHFFFAOYSA-N 447.556 4.932 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 1632050601 YLVKZUJOOJKJJB-JKSUJKDBSA-N 426.916 4.580 30 10 IJEE C#CCOc1ccc(CNC(=O)C[C@@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)cc1 1636916155 UQHOERSFTHHCQP-HHHXNRCGSA-N 430.548 4.627 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O)c1ccccc1 1638029677 OTSCMSDSCZYNDA-OIBXWCBGSA-N 428.598 4.866 30 10 IJEE N#Cc1ccccc1NC1CCN(C(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)CC1 1641567580 ZHBDBXSDKOJPFY-UHFFFAOYSA-N 440.425 4.548 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Cl)cccc1OC(F)F 1642821822 RLWTZFKQNJMOHV-CYBMUJFWSA-N 439.286 4.594 30 10 IJEE C=CCc1cc(C(=O)N2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc(OC)c1OC 1643704612 GEHPOZDNFDQEAW-UHFFFAOYSA-N 438.524 4.740 30 10 IJEE C=CCOc1ccc(CNCCc2ccc(I)cc2)cc1Cl 1651366183 SWRVJGDFLFDRCM-UHFFFAOYSA-N 427.713 4.842 30 10 IJEE C=CCn1c(S[C@@H]2CCN(C(C)C)C2=O)nc2sc(-c3ccccc3)c(C)c2c1=O 1652572147 ITQFWNWBQJOITP-QGZVFWFLSA-N 439.606 4.721 30 10 IJEE C=CCNC(=O)c1ccc(NCc2ccc(N3CCCCC3)c(Br)c2)cc1 1656391255 XPUMIJNWFQRDMX-UHFFFAOYSA-N 428.374 4.967 30 10 IJEE C#CCN(Cc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CCOc2ccc(Br)cc21 1657513483 JFWXHZRAJHAYQT-IFMALSPDSA-N 442.353 4.576 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)c1ccc(F)c(F)c1 1663462836 DBKXDLNIHQSCHD-INIZCTEOSA-N 436.705 4.976 30 10 IJEE C=CCc1cc(CNC(=O)Nc2c(C)ccc(F)c2Br)cc(OC)c1OC 1671658497 RIBQDPFCVMZOQE-UHFFFAOYSA-N 437.309 4.964 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1c(Br)cncc1Br 1672948656 YLWJZLJYAAAJPT-UHFFFAOYSA-N 445.180 4.566 30 10 IJEE C#Cc1ccc(NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)c(Cl)c1 1674763850 GBCLEYIERRXQBV-UHFFFAOYSA-N 429.705 4.591 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)c1ccccc1 1679258734 IGSNMOBAQVRQAI-CYBMUJFWSA-N 431.183 4.983 30 10 IJEE CC(C)[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(Cl)cc1F 1681272870 HJBKMTQQXHZTRD-KNQAVFIVSA-N 428.939 4.596 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(Cl)cc1F 1682366816 IWZJPFJHCLCTGC-GOSISDBHSA-N 440.733 4.992 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1689877386 XXWTTZWEQRMTQP-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](c2ccco2)C1 1689937062 NDYMGBYIMDTNCU-DEOSSOPVSA-N 448.567 4.873 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(C)cc1 1690006607 UUTKPSAMTGIOIG-UHFFFAOYSA-N 428.605 4.899 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1(OC)CCC1 1690037458 VSPQTDKWOYEVIK-UHFFFAOYSA-N 436.625 4.698 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1C[C@H](C)O[C@@H](C)C1 1690091361 QRHKVGMOHUXJBW-OALUTQOASA-N 426.580 4.849 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C(C)C)C1 1690163704 OEINKNHOBGLVRX-GOSISDBHSA-N 439.025 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1[C@H]1C[C@H](c2ccccc2C)C1 1690188242 GIRVAEBCSSGJKN-NYUJMHJJSA-N 433.600 4.616 30 10 IJEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccccc1C 1690351071 HHIFPQWGCRAAFG-MRXNPFEDSA-N 429.977 4.528 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1690468310 YCYKZSNCMVJQJP-HXUWFJFHSA-N 438.551 4.600 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690470930 PIBGIJPBYLFVPG-QGZVFWFLSA-N 435.494 4.892 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(F)cc(F)c2C1 1690473991 NRKYSNHCSQBRPH-UHFFFAOYSA-N 448.315 4.843 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1csc([C@@H](C)OC)n1 1690518560 OCDRAUARKJJTKI-CYBMUJFWSA-N 448.390 4.542 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1690560222 QQKVKRPDODAHJZ-SGNDLWITSA-N 447.583 4.565 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(C)c(OC)c1 1690577537 JASDEDNABMJYIN-HXUWFJFHSA-N 438.597 4.596 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](COCC)C1 1690683476 LVLMBEFQNNNHSR-FQEVSTJZSA-N 426.605 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC1CCCC1 1705503479 WZUIIENXVYYQCV-HXUWFJFHSA-N 438.616 4.962 30 10 IJEE C=C(Br)Cn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1705692250 DCZVAHWJSFRJJF-IRXDYDNUSA-N 447.446 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CC(C)C)C1 1705697232 UEGKHIDZQFNHDE-UZKOGDIHSA-N 439.560 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1705714876 KASDRNWFCVBYTR-SFHVURJKSA-N 436.457 4.702 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CSCCS2)CC1 1705776364 DXDDNIDDQUZAHL-JXFKEZNVSA-N 448.633 4.808 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCSC(F)(F)F)CC1 1705779143 XKKFQODXBTUEPK-UHFFFAOYSA-N 442.507 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705802614 PZKNSMBDLQWEND-GJZUVCINSA-N 438.616 4.915 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1cccs1 1705835074 ZGFOJSRYPYJVHR-QVKFZJNVSA-N 432.977 4.663 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1705887399 DUVODCJDKSBINK-UHFFFAOYSA-N 446.437 4.759 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CCCCC1 1705943934 OKRRLZNECOUSCH-UHFFFAOYSA-N 438.601 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(Cl)s1 1722282128 WXIWGOSROSONLL-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](CCC)OC 1722498120 PMTDRKPDDBYZFN-ATIYNZHBSA-N 438.616 4.962 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC(F)(F)C1 1722501415 YEROHVBRRLZOFS-GOSISDBHSA-N 431.531 4.985 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)C/C(C)=C\c1ccccc1 1722505907 BELBSRUGKQYXAW-PVNZIPKOSA-N 443.595 4.785 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1722532637 RVGHWNBGWCAFFX-VXKWHMMOSA-N 429.653 4.619 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722600278 MCWYFXDFJWVBNY-SFHVURJKSA-N 427.980 4.546 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1C[C@H](C)O[C@@H](C)C1)C1CC1 1722653892 MXQBFYCRXKYEEZ-IRXDYDNUSA-N 430.980 4.869 30 10 IJEE CCC(CC)(Cn1c(COc2cccc(C)c2)nnc1N1CC[C@](F)(C#N)C1)SC 1727152225 ANCPZKWRBPLTLB-NRFANRHFSA-N 431.581 4.529 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1740577120 SBFPORQSGIBGFR-RUZDIDTESA-N 441.019 4.652 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1cccs1 1740721661 PNEYAWWLYAMCNG-FQEVSTJZSA-N 438.622 4.935 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740739964 GTFZTLMOHBYUCH-PHIMTYICSA-N 446.727 4.630 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)C1 1740788949 ZWKCNRVSQWOGBA-UYAOXDASSA-N 430.618 4.569 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740866057 VCLVDHPOXVZOCO-IPMKNSEASA-N 427.618 4.641 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1Cc1c(C)sc(C)c1Br 1740933916 KKOZMAMXVRCULI-MRXNPFEDSA-N 437.407 4.797 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC[C@H](F)C1 1748679625 GNCLIOISFJGPOR-NSHGMRRFSA-N 432.971 4.848 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](COC)C1 1748701641 NEJUWZPRBIXKQL-QFIPXVFZSA-N 431.584 4.629 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1CC(C)(C)C1 1748868230 UCAWBCVSQPBDTR-FQEVSTJZSA-N 434.584 4.716 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1oc(CCC)nc1C 1748945435 SQOKGQRMEGFSDO-UHFFFAOYSA-N 437.563 4.943 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1c1ccco1 1749044770 VJHQSXZOZMHSFU-NRFANRHFSA-N 436.581 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](OC)C(C)(C)C 1749171189 RIYDPNQEVDXGGZ-OTWHNJEPSA-N 449.640 4.512 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749413586 WUJAVEIHAYFXBN-HSZRJFAPSA-N 437.632 4.869 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1749429054 DQWDXAYTKLISGX-GUDVDZBRSA-N 429.609 4.594 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)OC(C)(C)C1 1749447347 CPDRLCSKLLGBIX-GOSISDBHSA-N 444.645 4.872 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1749449585 PQCFZEFTSYGGAW-FPOVZHCZSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1Cc1c(C)nn(C)c1C 1749552416 AXTLPYJZZRGGSM-UHFFFAOYSA-N 446.624 4.716 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1749641082 USOTTZMGRSCSOS-QHCPKHFHSA-N 437.632 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](c1cccnc1)C(C)C 1760123367 DSKDUKZIQBFWKA-AVRDEDQJSA-N 437.975 4.803 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC[C@@H]1CC 1760229258 KFZVPCHPPSFHFK-SFHVURJKSA-N 434.415 4.976 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncc(CC)s1 1760274778 SYYMSAITWFLOBL-UHFFFAOYSA-N 432.018 4.620 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC1CCCCC1 1760303879 AYUMUTMBYKOJLS-UHFFFAOYSA-N 433.350 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC1CCC1 1760319716 PNSHIDVHRHIPET-REWPJTCUSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCc2nccs2)CC1 1760385897 CPEAAAPDVYRPOX-UHFFFAOYSA-N 444.402 4.953 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cccc(C)n2)CC1 1760399165 BLDOIRQVEOBQFB-UHFFFAOYSA-N 447.583 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@@H]1CCCOC1 1760415292 UEWSSYNEVAFSIQ-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1760480184 NOZJHHDXBRYXLP-HSZRJFAPSA-N 434.632 4.663 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1760498925 ISOQBVKNKCMTRU-QFIPXVFZSA-N 432.616 4.561 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1761055968 DFKFPOOULVGJMC-AREMUKBSSA-N 446.599 4.511 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862476403 KIPLDDLWCXXGKK-QFIPXVFZSA-N 449.890 4.838 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2)c1 1862556114 PHIOSMPAEOJJFL-HSZRJFAPSA-N 430.479 4.803 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 1862604823 IRPGFABEOWTIBN-QHCPKHFHSA-N 433.504 4.759 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccc(F)c2)cc1 1862626839 GTFHWCACCDPLSH-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 1862659720 CWRNCXUFJVXXHP-DEOSSOPVSA-N 443.547 4.984 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 1862672597 DYVUGGZTRKHEFR-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862672934 HYKUSVIRLYYHSG-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 1862676807 RKLFWXKXMHACLK-LJQANCHMSA-N 438.436 4.574 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(O)c1 1862747967 WYHWUGOALUGVCM-QRQCRPRQSA-N 444.443 4.640 30 10 IJEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2C)=C(c2ccc(Br)cc2)C1=O 1863195395 WHOLULQITKJJFQ-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)/C(C)=C/c1ccccc1Cl 1868745909 YPPUIYQYPISTHL-NGIFANIDSA-N 440.946 4.811 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCC(CO)CC2)nn1-c1ccccc1Cl 1869981101 APJZRKQVXTXETN-UHFFFAOYSA-N 448.011 4.819 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870300376 BJECDFZREKFJTC-UHFFFAOYSA-N 443.572 4.701 30 10 IJEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2cccnc2)c1 1871251156 QJMFJIHSYAEHNO-UHFFFAOYSA-N 436.515 4.663 30 10 IJEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H]2CCCO2)c1C 1871252425 ZYQGNNUZSMBHOJ-DEOSSOPVSA-N 443.547 4.707 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(Cc1nc3ccccc3[nH]1)CO2 1871347203 GEZXXQVCXXPGGI-JJFYIABZSA-N 441.462 4.979 30 10 IJEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871364833 VOAADSVXPPDWRO-GRSHGNNSSA-N 436.261 4.988 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)cc1OC 1871385706 IKICAZAWLNERCJ-IWIPYMOSSA-N 430.456 4.858 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871430168 BOOWTBPJCQYEPV-HAHDFKILSA-N 436.552 4.705 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871458873 OEURNUCPSUGOAX-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872505377 RGAABYZDGLMXAV-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1[N+](=O)[O-] 1872764812 YSZZYXMAKKCENQ-CQSZACIVSA-N 426.885 4.928 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276359 CQZHEIINFAGCKV-UHFFFAOYSA-N 438.483 4.518 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)CC)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289426 MMKGLRPWQJTEBF-UHFFFAOYSA-N 444.318 4.720 30 10 IJEE O=c1c(Cl)c(N/N=C/c2c(O)ccc3ccccc23)cnn1-c1ccccc1Cl 1873528946 KVBCUBRRUFRSDY-BHGWPJFGSA-N 425.275 4.844 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc2n1CC(C)C 1873577434 RDZKURYVCKAKOZ-BGYRXZFFSA-N 443.636 4.791 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3CCCCC3)ncnc2n1CCCOC 1873589093 JGOOBUZCAGGDIF-UHFFFAOYSA-N 429.609 4.548 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(C(C)C)cc1 1874210298 PTDFAGRQYOVSDD-WGLQLPMYSA-N 447.608 4.912 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874254263 YVPKSNBPKGFNKK-XQNSMLJCSA-N 437.525 4.667 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccco2)cc1 1874292388 ARADFYQAMRWRJY-ZMOGYAJESA-N 438.484 4.772 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SC)cc1OCC 1874318880 NUDRURGSLOQFGI-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874399911 FZVUXBYAKVQFLB-HKNSOBRKSA-N 449.363 4.884 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2C)c(C)c1 1874453965 WRUTVCRHVFTWQQ-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2C)cc1 1874461163 ZHXCPGLEHQNMII-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C2CCC2)ccc1OCc1ccccc1F 1874558801 ZFDIYIKLXNQGGC-ZMOGYAJESA-N 426.517 4.833 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1F 1875152485 NLAUXMFQKAKXGI-UKTHLTGXSA-N 436.435 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)c(C)c1C 1875167756 MQPUVZHPNVPKCM-PKNBQFBNSA-N 447.487 4.840 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c(Br)c2)cc1C 1875174860 MNZLQBQZOXWCBI-QPJJXVBHSA-N 437.293 4.971 30 10 IJEE Cc1ccc(C(=O)N2CCC(c3ccc4cc(-c5cccnc5)cnc4n3)CC2)cc1C#N 1890690897 JUVKSAQJKCOKJD-UHFFFAOYSA-N 433.515 4.892 30 10 IJEE Cc1ccc2c(c1)CCCN2C(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1 1890836153 WJLGXZTWWHUMSE-UHFFFAOYSA-N 432.549 4.779 30 10 IJEE CN(CC#CCNC(=O)CCc1cccc(Oc2ccc(F)cc2)c1)Cc1ccccc1 1891666357 BUFOMOVBEODJAG-UHFFFAOYSA-N 430.523 4.802 30 10 IJEE COc1cc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC#N)cc(OC)c1OC 2040424548 BNLXYBPOIXQFHQ-UHFFFAOYSA-N 444.487 4.818 30 10 IJEE N#Cc1c(Br)cccc1N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2044065710 GRSPTRUSFBLBKK-MAODMQOUSA-N 440.341 4.922 30 10 IJEE CC[C@H](c1ccc(C)cc1)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079037044 CAUMQHFCCXIFOD-PZUDMAOCSA-N 425.314 4.901 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(F)c1F 2102883514 BHOSNLKGRMHQCB-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2118192951 VFEPFZIBPKMFNM-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3cc(Br)c(C#N)cc3F)C[C@@]2(C)C1 2172914719 XZEOFPMNQDOKRK-YRVVQQKDSA-N 438.341 4.907 30 10 IJEE C=CCC1(C(=O)N2CCCc3ccc(Br)cc32)CN(C(=O)OC(C)(C)C)C1 2180952830 OLICKZOCFHVLQA-UHFFFAOYSA-N 435.362 4.542 30 10 IJEE Cc1sc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c(C)c1Br 2226124703 KGZBHUVNOSNZHM-UHFFFAOYSA-N 426.185 4.531 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2ccccc2Br)CC12CCCC2 2235725260 IYZZNUUCWROFJZ-QGZVFWFLSA-N 432.358 4.940 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C1CC1 2243918926 NFWMLQYFRYXQNK-RUZDIDTESA-N 445.563 4.844 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2267113244 QVDFYRIBGYWWLL-BECHRVIWSA-N 439.405 4.701 30 10 IJEE Cc1ccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1CNC(=O)OC(C)(C)C 2267113753 YQTBZZYEAYNDSE-SAABIXHNSA-N 444.381 4.831 30 10 IJEE CC1(C)OB(C2(C(=O)N3CC[C@H]4[C@@H](CCCN4Cc4ccccc4)C3)CCC2)OC1(C)C 2267460826 NBRSTNJHUABAKC-VXKWHMMOSA-N 438.421 4.516 30 10 IJEE C=C(CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C)B1OC(C)(C)C(C)(C)O1 2268715069 FSXLUUGAYSPNNC-UHFFFAOYSA-N 444.381 4.910 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2ccc(Br)cc2)cs1 2278735013 KNHFKAARKKIGTB-LBPRGKRZSA-N 435.343 4.726 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1csc(I)c1 2278776044 XCVHJMGYHKNKIX-CQSZACIVSA-N 446.151 4.818 30 10 IJEE O=C(C#Cc1ccccc1Br)[C@@H](O)c1sc(Cl)cc1Br 2288259781 YVYAJVFVUDBSQV-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2ccc(Br)cc2)c2ccccc21 2296266926 NGHGPDYGXWPRQD-SFHVURJKSA-N 426.310 4.909 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](N)C#Cc3ccc(Br)cc3)CCCC[C@H]12 2296293310 ICKTXISUWRSJPE-IPJJNNNSSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2296310252 HHGLNSITAPFOSK-DFQSSKMNSA-N 435.406 4.720 30 10 IJEE C=CCc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCc1ccccc1F 2297347734 XYEJOFXBQQSZFA-UHFFFAOYSA-N 447.466 4.592 30 10 IJEE Cc1cc(OC(=O)CNC(=O)c2ccccc2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2323047543 RKOHRUDJWNHJIR-UHFFFAOYSA-N 447.874 4.600 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2323603957 RTASQUHYJUSBBJ-UHFFFAOYSA-N 426.424 4.708 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OCC 2323839444 PDMGNWCCNCOFHO-UHFFFAOYSA-N 445.943 4.939 30 10 IJEE CCCOc1ccc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1[N+](=O)[O-] 2323854353 OIJPXRADGHYYAY-UHFFFAOYSA-N 440.481 4.740 30 10 IJEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2324326141 ZYASZBPKFVDXEW-QGZVFWFLSA-N 444.487 4.811 30 10 IJEE COc1ccc(C=C2Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)c(OC)c1 2325103520 MPMIJBRXYLGWHJ-UHFFFAOYSA-N 440.492 4.678 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4)cc(C)c3C2=O)cc1 2325727064 OHZHNZTVEGJIDL-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2327975916 SPXVOKDKWHQMBK-UHFFFAOYSA-N 426.929 4.575 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccnc1 2328681821 WAABUULCXYSWMY-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] 2328754148 CLEAVRNAVDQQRZ-UHFFFAOYSA-N 425.514 4.582 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328765365 NSTDWBDQJQVLAC-UHFFFAOYSA-N 431.905 4.640 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc[nH]1 2330066644 PCHPWGZSFOWYLJ-MRXNPFEDSA-N 448.527 4.510 30 10 IJEE C=C(Br)CN(C)[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2374280343 VVWGGDNZHUJIDD-JOCHJYFZSA-N 435.406 4.649 30 10 IJEE CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccccc3OC(C)=O)cc2)cc1 17950944 KHBSWWHYSRSHAX-WGOQTCKBSA-N 431.444 4.758 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cc(OC)ccc2OC)cc1 21660449 HYFKXXIEEHQBRC-UPCLLVRISA-N 446.503 4.967 30 10 IJEE N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)c3cccc(F)c3)c2)C1=O 34735403 LPDIWSPZAMONTP-UHFFFAOYSA-N 428.467 4.782 30 10 IJEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)c2ccccn2)nc2ccccc21 40185013 WJNQIKLLCYWGQF-LJQANCHMSA-N 426.520 4.730 30 10 IJEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2OC)c1 66437597 YLEFUEVFBAOSDP-UHFFFAOYSA-N 442.519 4.626 30 10 IJEE biogenic CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1cccc(C(=O)O)c1 101132317 LXZUJRWZNYCGDI-GTXWLNMASA-N 449.444 4.787 30 10 IJEE C=CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)c1ccc(Cl)cc1 101165285 YWLKCBPYVMLNFG-UHFFFAOYSA-N 440.956 4.582 30 10 IJEE CCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1OC 102607014 ZXZSYZGJQKUJAS-GOBJLOIFSA-N 429.900 4.579 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 103228929 HDDXGUBFYVPAFJ-GOBJLOIFSA-N 434.517 4.703 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 103229737 GNTVPVSPQKKLNQ-QQYUXEJHSA-N 442.515 4.799 30 10 IJEE CCCCc1nnc(S)n1/N=C\c1cc(Br)c(OCCC)c(OCC)c1 169911060 TVHUVKLRRDSAGF-NDENLUEZSA-N 441.395 4.742 30 10 IJEE N#Cc1ccc(N2C(=O)C(SCc3ccccc3)=C(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 169981500 ICUBOOMEHQDZIU-UHFFFAOYSA-N 441.468 4.684 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccn2)c1 169990619 JUIBJEJBGNUZFB-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccn1)c1ccc2ccccc2c1 169999686 BYVWBRIAGKSADV-HSZRJFAPSA-N 446.466 4.894 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)cc1 170118974 PUQFEJJLWAMPIJ-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1cccs1 170164935 SCKGZMFVNIEFKY-GOSISDBHSA-N 435.929 4.797 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)c1 170167957 WVEGEYVNBHLQMJ-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170238697 IWLXIWUMWNSLTC-QFIPXVFZSA-N 433.410 4.683 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 170242598 DDPXBPYVBGCQCW-GOSISDBHSA-N 438.282 4.747 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c[nH]c2ccccc12 170254550 IVOZVQZPLLXXFF-XMMPIXPASA-N 444.531 4.662 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)c(OC)c1 170284928 UXFZTOJIKYVTHI-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccco2)cc1C 170296844 XIPXOLBFKXJTPK-HSZRJFAPSA-N 449.478 4.947 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2cccc(F)c2)o1 170299131 CCRYALMERXWKRQ-PEBXRYMYSA-N 433.435 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccncc1)c1ccccc1 170358593 ACEOWCDCSPAXEI-IBGZPJMESA-N 435.277 4.627 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)ccc1OC 170441673 NUJFSZYBGDKUDY-FQEVSTJZSA-N 445.462 4.887 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 209981984 IIYWFJCUVHOFSP-XPXBXICFSA-N 432.564 4.740 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2 249843152 UIZAOZGOVAMMNK-SLSDLSHTSA-N 437.609 4.824 30 10 IJEE CCCCCCCCn1c(NN=C(CCC)c2ccccc2)nc2c1c(=O)nc(O)n2C 254905134 HJCNIKZCUVARIC-UHFFFAOYSA-N 438.576 4.812 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCCC 407488562 FOJCTFJNLSQVMG-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE Cn1cc(-c2noc(-c3cccc(COc4ccccc4C#N)c3)n2)c(C(F)(F)F)n1 426255342 KRPKLJQSLDLSIE-UHFFFAOYSA-N 425.370 4.607 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1F 437465940 HGEPZBJNYRYLMG-OAQYLSRUSA-N 429.451 4.733 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 446360693 UMDJKWNBGRQQSH-GFCCVEGCSA-N 446.754 4.676 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 470129535 XSYGXWIWIFWQSN-LJQANCHMSA-N 430.346 4.649 30 10 IJEE C=CCN(C(=O)c1coc2c(C)cc(Br)cc12)c1nc(C(=O)OCC)cs1 471740990 ZKVIAFDBQXEWCM-UHFFFAOYSA-N 449.326 4.970 30 10 IJEE Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)ccc1NC(=O)c1cccs1 511718156 FZBLPJFMKJTFQA-UHFFFAOYSA-N 445.479 4.758 30 10 IJEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 549279950 OZGUNKKNPIATQD-LJQANCHMSA-N 439.633 4.680 30 10 IJEE Cc1cccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)c1 586305039 PFXMADBOOGAMLX-UHFFFAOYSA-N 434.517 4.690 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1ccc(I)cc1 698968481 SVDHXZPTWAOHGF-AWEZNQCLSA-N 441.273 4.793 30 10 IJEE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C#N)c1c(Br)cncc1Br 710719366 JQSXULWTCUEZRZ-LBPRGKRZSA-N 431.128 4.571 30 10 IJEE CC(=O)N(c1nc(COC(=O)c2ccc(C#N)nc2)cs1)c1c(C)cc(C)cc1Cl 734602645 TWGHUGYRAUBVOL-UHFFFAOYSA-N 440.912 4.722 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)c1=S 742159346 NYWOYKNTHFLGDC-IIBYNOLFSA-N 442.535 4.965 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(N)cc(Cl)c1Cl 747021567 KLBBPJKZSZGDNP-NSHDSACASA-N 438.336 4.765 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1OC 749657578 YDAZUAQMCIGKPJ-WOJBJXKFSA-N 444.572 4.512 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1OC 751144087 GYMWVRWPFLESPS-VZUCSPMQSA-N 427.928 4.749 30 10 IJEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 754007834 QRVVMFWCNJQJGS-RAXLEYEMSA-N 437.506 4.652 30 10 IJEE O=C(/C=C\c1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccc(C(F)(F)F)nc1O 755588896 WRLCNZIYURRYBG-DJWKRKHSSA-N 429.185 4.590 30 10 IJEE Cc1ccc[n+](/C(C(=S)N[C@H]2CCc3ccccc3C2)=C(/O)c2ccc(C#N)cc2)c1 762437587 AXWVEWXOFPTODB-QHCPKHFHSA-O 426.565 4.513 30 10 IJEE C#CCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 768994466 BVSSLXSHCKCFDH-SFHVURJKSA-N 444.716 4.965 30 10 IJEE N#Cc1ccc([C@H](O)CN2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 769230860 VKSZYELKMAIUDB-MOPGFXCFSA-N 444.375 4.703 30 10 IJEE C=CCSc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1 1084430030 IROKSGXZLUUQNU-UHFFFAOYSA-N 444.358 4.870 30 10 IJEE C=CCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC)c1ccccc1 1124757133 OXSNTUREFREIQI-UHFFFAOYSA-N 440.499 4.714 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 1136339359 ATYOFHRMTRUOPU-NRFANRHFSA-N 443.588 4.747 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(C2CCCC2)nc1N 1136589195 CAYPYHWPNKVLDO-UHFFFAOYSA-N 427.508 4.728 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C)c1ccccc1 1158670658 WLOMTKYNJDVPQI-BGOLNKOXSA-N 440.565 4.901 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@]2(C)C(C)C)c1 1161141774 HTHSCFQRVHLZFF-FYYLOGMGSA-N 447.000 4.886 30 10 IJEE CCOC(=O)C(CC)(CC)NCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1170668460 CEXUJXBSQNZOKW-MRXNPFEDSA-N 447.645 4.811 30 10 IJEE C=C(C)CS(=O)(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1188507447 HXUKSNFGQHQTNO-NSHDSACASA-N 429.304 4.823 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1224522595 NZIOBFSVSNKQQE-QHCPKHFHSA-N 426.582 4.650 30 10 IJEE C=CCC[C@@H](NC(=O)NC1(CCOC)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1230625850 VDMOWEFNXDJAST-OAQYLSRUSA-N 445.604 4.799 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccccc1CC(=O)OC)c1ccc(C(F)(F)F)cc1 1230693322 GKQQSKWWXBPZJG-HXUWFJFHSA-N 434.458 4.928 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 1264919631 ZTTZAJIPDMYIKZ-JOCHJYFZSA-N 444.556 4.921 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)ccc1F 1267000135 JTRCHPWAZDMXIL-QFIPXVFZSA-N 444.572 4.781 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCO[C@H](C)c1ccccc1 1286425377 YHFSCGBGNDLRGE-HXUWFJFHSA-N 447.970 4.624 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1csc(C)n1 1286437752 LPAYZQASOZZVBC-OAHLLOKOSA-N 425.627 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(C)C)CC1 1286554426 XVNVGORDNLKZDJ-FPOVZHCZSA-N 429.996 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](CCC)C1 1286560884 JZBOEFPGOQXUKI-UEXGIBASSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2Cc3ccc(Br)cc3C2)nnc1C(C)(C)C 1286568801 YKSMAVDTKPUKIN-LPHOPBHVSA-N 445.405 4.840 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1286618732 HCEJTYNSRRLXGH-JOCHJYFZSA-N 437.613 4.599 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCCCCC2)CC1 1286639054 WFTBZHSPEZVUPG-UHFFFAOYSA-N 432.515 4.788 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOC(C)C)CC1 1286653871 CURZPOQGBNEJGX-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H](SC)C(C)(C)C 1286747899 OXOWEOITXNXGMZ-SFHVURJKSA-N 430.647 4.710 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CC1(COC)CCOCC1 1286749717 XXOJQVPNQZFOMX-UHFFFAOYSA-N 430.618 4.633 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1Cc1noc2c1CCCC2 1286761194 XOVHCVOIZISRSY-UHFFFAOYSA-N 435.597 4.972 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(SC)CC2)C1 1286803118 XZWRXQGFJMDSQD-HXUWFJFHSA-N 426.630 4.920 30 10 IJEE C=CCN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1296707808 MSDMAJLMRGCBHE-VWLOTQADSA-N 426.516 4.911 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 1297176662 DUTZFTIFLYUQRV-WKILWMFISA-N 431.305 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1300317278 OALMKGJZSRXQKH-GOSISDBHSA-N 441.501 4.568 30 10 IJEE C#CCCCn1c(N(C)Cc2cnc(C(C)C)nc2)nnc1C1(c2ccccc2)CCC1 1300424035 ZIKQFXVRODLDBC-UHFFFAOYSA-N 428.584 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(C)s1 1300548827 PWIFMXHPAZYOGX-UHFFFAOYSA-N 432.593 4.646 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CCC)OC 1300643640 UDKVNRWIVUQRNP-FQEVSTJZSA-N 441.938 4.588 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC1(c2ccccn2)CCC1 1300644554 ZOGCCDKXKLOMMX-UHFFFAOYSA-N 431.609 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1300788604 FVGOPEQLHJXCEF-HSZRJFAPSA-N 426.008 4.855 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2CC(OCC)C2)CC1 1301114446 SXMAJOIPLJGFTR-UHFFFAOYSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301140064 ZSBDQIWMYZUOHB-MZEQIWSPSA-N 438.616 4.807 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](COC)C1 1301208827 FZOOFSNCMIPYFZ-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC(C)C)nc1 1301349787 SBMPYOPGLPTDDG-HSZRJFAPSA-N 447.583 4.595 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1301350386 WIUVRIMSBYSCPF-UHFFFAOYSA-N 445.329 4.921 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1301368164 YHAMHXJGBQOHGU-GGAORHGYSA-N 438.664 4.855 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1301383513 DZPOMWCIZLYFJN-UHFFFAOYSA-N 442.498 4.893 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)on1 1301399111 GJSIAIRVIADNCN-UHFFFAOYSA-N 434.931 4.573 30 10 IJEE C#CCN(C(=O)c1cc(Br)c(Br)[nH]1)[C@H]1CCCc2ccccc21 1304066342 KHKOJRNKRLZCFP-INIZCTEOSA-N 436.147 4.693 30 10 IJEE C[C@H](CC#N)N(C)S(=O)(=O)N(C)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1 1309869843 FXUWCDCEXPEJMU-CQSZACIVSA-N 442.368 4.696 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1312334459 MTEDZLIUVJQGQD-NRFANRHFSA-N 443.588 4.505 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@H]1C1CC1)[C@@H]1CCOc2ccc(Br)cc21 1312857816 ZOQNAXUZTWHHKN-XKGZKEIXSA-N 431.374 4.744 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)C1 1323758978 AQYUZEDXQWECGS-XLIONFOSSA-N 433.321 4.664 30 10 IJEE CC(C)COc1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1Cl 1353516830 AJBSWTRWXOHNPG-UHFFFAOYSA-N 426.929 4.941 30 10 IJEE C#CCN(C(=O)c1cc(C)c2ccccc2n1)[C@H]1CCOc2ccc(Br)cc21 1353633694 GQDZBECJAQPWSH-NRFANRHFSA-N 435.321 4.905 30 10 IJEE C#CCC1(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)CCCCC1 1354811225 ICVSSRZXMPRBAD-UHFFFAOYSA-N 429.513 4.530 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1356183007 UGZSAGYFVIBFEL-UHFFFAOYSA-N 440.883 4.577 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC1=CCCCC1 1358884993 AQWARODVHODGAN-LJQANCHMSA-N 444.583 4.584 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1358904317 BNEYFQJEMHQYCW-FPOVZHCZSA-N 440.563 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1oc(CC)nc1C 1359066635 IIXHDOREBAVDDG-JOCHJYFZSA-N 427.911 4.637 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccco1)C(C)C 1359079386 IOEGCTPKKZQROG-UHFFFAOYSA-N 436.741 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cc2c(cc1OC(F)F)OCO2 1359108741 BAVJCDOOORVSBT-UHFFFAOYSA-N 446.454 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1c(F)cccc1OC(F)F 1359111858 PXHIRKAUNYJNQN-UHFFFAOYSA-N 431.462 4.840 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)OCC(C)C)CC1)c1ccccc1 1359138002 HDRJGJHJOHYNMV-FQEVSTJZSA-N 439.604 4.810 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1359162658 YYDPGQYBLAXVKD-UHFFFAOYSA-N 440.882 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359190746 BJFWTKFYIWNSAM-UYAOXDASSA-N 445.652 4.963 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCS1 1359254992 KLYSQZVLXQAGJR-RBBKRZOGSA-N 442.629 4.659 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C(C)(C)C)no1 1359274023 XQDZZPOHIBIGIC-UHFFFAOYSA-N 435.572 4.986 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1CC[C@@H](F)C1 1359277529 OOGFECYWCZMLNU-AZUAARDMSA-N 426.511 4.974 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(F)(F)F)CC1 1359339046 QQTNMGASHKEJLG-UHFFFAOYSA-N 431.915 4.691 30 10 IJEE C#CCOc1cccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 1359925918 WBEQNOULJQYZPR-QPPBQGQZSA-N 431.513 4.768 30 10 IJEE C#CCOc1cccc(OC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 1360098911 MCCIPYBWWHDZLF-UHFFFAOYSA-N 428.307 4.733 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N3CCSCC3)cc2)CCCN1C(=O)OC(C)(C)C 1360954733 XURLIWHLCCZYNF-HSZRJFAPSA-N 431.602 4.524 30 10 IJEE C=CCC1(C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)CCOCC1 1435293315 TYAMOKKXNGLHPT-UHFFFAOYSA-N 429.538 4.584 30 10 IJEE N#Cc1ccc(OCC(=O)N(CC(F)F)c2cccc(Cl)c2)cc1Br 1435453360 GZEPMLOVWNOKHG-UHFFFAOYSA-N 429.648 4.651 30 10 IJEE C#CCC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)CCCCC1 1438337873 OXPZNWCTUAAHHR-IZZNHLLZSA-N 430.592 4.753 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1444602744 BMWOTKDVLWRZPL-FXAWDEMLSA-N 436.512 4.768 30 10 IJEE C=CCOc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1OC 1446800887 TWOMEDGJISITCP-UHFFFAOYSA-N 449.378 4.961 30 10 IJEE O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cnc(O)c(C(F)(F)F)c1 1446845929 NJPSYOBBIRWTML-LLVKDONJSA-N 432.242 4.858 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)cc1OC(F)F 1447273773 ZVSQFSBPKSQVNK-CZUORRHYSA-N 430.467 4.854 30 10 IJEE C=CCN(C(=O)c1csc(NC2CCCCC2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1447732213 WFRUFWPFMINUKT-OAQYLSRUSA-N 441.597 4.690 30 10 IJEE C=CCCCCCN(C)C(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1456671472 SSEHJYGKROCACD-UHFFFAOYSA-N 442.419 4.740 30 10 IJEE C#CCN(C(=O)[C@H](CCCC)ON=C(C)C)[C@@H]1CCOc2ccc(Br)cc21 1465180153 XTVFXTSYYJNNKI-QUCCMNQESA-N 435.362 4.706 30 10 IJEE C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1465485802 ZNFBNNZYEKPRSS-ICSRJNTNSA-N 445.560 4.719 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccc(Br)cc1 1465672734 DPFRBWFLSYQBIY-NRFANRHFSA-N 443.341 4.751 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(-n2cnc3ccccc32)nc1 1469266292 IEKQNTNMTISQPF-MRXNPFEDSA-N 449.436 4.994 30 10 IJEE C=C(C)[C@@H](NC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1469854729 UVDGSQXXMFWVKU-GOSISDBHSA-N 425.520 4.774 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)C1 1470488640 XMGPDBOUNRCPGZ-HXUWFJFHSA-N 444.556 4.640 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CCCC1 1470790455 KCVHKPSPMDJVTL-UHFFFAOYSA-N 439.522 4.939 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)CCCN1C(=O)OC(C)(C)C 1471917330 QSNBSVDWBZIUDW-WZONZLPQSA-N 433.618 4.578 30 10 IJEE C=CCSc1ccccc1NC(=O)CN1C(=O)N[C@](CCCC)(c2ccccc2)C1=O 1472946361 GMGXINOJEZBJGT-XMMPIXPASA-N 437.565 4.541 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 1476042085 ZIADLJAFVHFLML-GHTZIAJQSA-N 427.907 4.971 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 1477670297 XKLXJFRXWLGDRN-BJKOFHAPSA-N 425.548 4.596 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@](CC)(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1478897116 VHEXRQIDOKGSRG-PGRDOPGGSA-N 449.389 4.667 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1507542430 QEZQKPVSIWSCQO-GOSISDBHSA-N 447.608 4.565 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccccc2Br)C1 1507554775 XNUQQQYMSJJXMA-IBGZPJMESA-N 431.378 4.545 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2sccc2C1 1507555792 VTKZDGBXCNOZHS-UHFFFAOYSA-N 428.508 4.974 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507579289 RCMIXYJQDPHBLJ-QFIPXVFZSA-N 445.405 4.762 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507653487 YEVKLQAOICZRLN-CVEARBPZSA-N 436.428 4.514 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](C)C1 1507810656 LQDDDKAEIYLZMA-YYDVJCTNSA-N 428.552 4.604 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)OC1CCCC1 1507811026 NAHUVPQBDBVZLH-HYBUGGRVSA-N 440.588 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 1507812348 WPJHNWXQMFDXFC-YYDVJCTNSA-N 442.579 4.850 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](OCC2CC2)C1 1507827185 XYLVCVJFHXUOJA-OAHLLOKOSA-N 437.407 4.741 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1507903678 FDQHUMUQGGEYRT-UTKZUKDTSA-N 429.634 4.632 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1507913051 VEQOXJNRBVIZBU-HXUWFJFHSA-N 432.616 4.934 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCSC2)C1 1507958691 BDJAJHZVJOPPHI-QFIPXVFZSA-N 449.020 4.533 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1508003040 REYBQROIYNMTPY-AOYPEHQESA-N 445.611 4.908 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[C@@H](C)C1)C(C)C 1508012352 CMRYJWAKFCMJDO-ZFGGDYGUSA-N 436.648 4.829 30 10 IJEE C=CCSCCn1c(N(C)CCc2ccc(Br)cc2)nnc1C(C)(C)C 1508168105 NZWOHCPZYBHPOQ-UHFFFAOYSA-N 437.451 4.936 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC1 1509073059 DNQQOCZEEIRMIA-QFIPXVFZSA-N 437.588 4.560 30 10 IJEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCc2sccc2C1 1512692397 GJKLUEXQELROQX-MZNJEOGPSA-N 435.597 4.628 30 10 IJEE CCc1cnc(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@H](C)CC#N)s1 1513712372 FOLUQXDWBGGBMD-MRXNPFEDSA-N 431.569 4.607 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1515699717 CKWNWQWCCIRPAI-RUZDIDTESA-N 433.556 4.561 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 1519589897 KYCUNOBRLNDPIH-BEFAXECRSA-N 429.446 4.744 30 10 IJEE C=C(C)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1522315389 WRPGUTZHNLPMSO-PXDATVDWSA-N 436.552 4.579 30 10 IJEE Cc1c(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)nnn1-c1ccc(OC(C)C)cc1 1522382324 DZFMNLUMMGCLPH-UHFFFAOYSA-N 433.512 4.664 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 1522391648 CPUQZITVTAOXTQ-NRFANRHFSA-N 443.540 4.903 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1CC)c1ccc(Br)cc1 1525054886 UEQKSCHAZCJRIH-GOSISDBHSA-N 442.744 4.955 30 10 IJEE CCc1ccc(-n2nc(C(=O)Nc3ccc(C#N)c(Br)c3)c3c2CCC3)cc1 1525724784 DTJPBMHCMPUHEN-UHFFFAOYSA-N 435.325 4.810 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1c(=O)n(CC)c2ccccc21)c1ccc(C(F)(F)F)cc1 1526561164 QCGCONKYXSLJIM-GOSISDBHSA-N 431.458 4.665 30 10 IJEE O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccc(-n2nccc2C(F)(F)F)c1 1526708657 CEDOYEWNZWJSFZ-UHFFFAOYSA-N 431.311 4.979 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1OC 1531727274 MJHUFAASRUPDGC-LUAWRHEFSA-N 434.467 4.916 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1539103208 QYLFLXUGELCXLZ-UHFFFAOYSA-N 446.599 4.906 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1cccc(C)c1 1539347409 SBZVFSYIXXXHLE-KRWDZBQOSA-N 440.389 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1csc(CC)n1 1539350858 BLPLVBUYPOURDM-UHFFFAOYSA-N 425.627 4.802 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC=CCC1 1539643638 XFAZFOKLYJPTHD-DYESRHJHSA-N 431.005 4.971 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(Br)cs1 1539710582 VHYNECCMTHXSCL-UHFFFAOYSA-N 438.420 4.670 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)c2ncc(C)s2)CC1 1539836164 OPKGULWSMKMUHX-MRXNPFEDSA-N 439.585 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@@]1(OCC)CCOC1 1539931168 HOVXBAWQIVYXJM-XMMPIXPASA-N 445.007 4.749 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1539968481 ZRMNVKGIVPPMSH-WOJBJXKFSA-N 443.636 4.841 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CCCCCO)C1CC1 1540098518 DOVJLEXVJHPDIG-UHFFFAOYSA-N 439.785 4.678 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCS[C@H](C)C1)C(C)C 1540148086 RCFLZGZEVFQBCN-DENIHFKCSA-N 443.636 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1540153764 KRYJXWYBXKFBGI-CYFREDJKSA-N 438.576 4.542 30 10 IJEE CC(C)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 1541420339 DIKDKUSIHWZQFR-LPHOPBHVSA-N 447.505 4.799 30 10 IJEE CC(C)N(C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1541600091 GULYESHBMGXJMV-SFHVURJKSA-N 428.650 4.744 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1556360802 BVFJBFHNFPBPDG-YWZLYKJASA-N 441.450 4.869 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCC[C@@H]3CC(=O)OC)c2C#N)C1 1560056311 FIQWGNWXQVHUPD-DLBZAZTESA-N 445.629 4.517 30 10 IJEE COc1ccc(C[C@H](NC(=O)Nc2ccc(C#N)cc2OC)c2ccc(OC)cc2)cc1 1562580910 DFISDINWWTVTEH-QHCPKHFHSA-N 431.492 4.690 30 10 IJEE CN(CCc1ccc(Br)cc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1562705607 FIAQMXAFCFVXTA-UHFFFAOYSA-N 442.235 4.926 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1 1562759746 UBBMVCOBZJYHPY-SAZUREKKSA-N 432.471 4.938 30 10 IJEE C=CC1(CC(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1584796134 PAZLFJWNNATGHR-UHFFFAOYSA-N 445.560 4.810 30 10 IJEE COCCN(CCOc1ccc(F)cc1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1585960661 CXGHXQMNBOUFRH-UHFFFAOYSA-N 433.483 4.609 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1587706940 UQNJWKHDGARAIZ-FPOVZHCZSA-N 447.549 4.696 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1588452278 PVCJGCPUAVJLFL-NFBKMPQASA-N 426.630 4.790 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOCCC(C)C 1589259287 KOGXPVMHFOPPNJ-DNRQZRRGSA-N 430.637 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 1589503511 DQPWZRJKCINSRF-FPOVZHCZSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1CCC(C(F)(F)F)CC1 1589687279 ACXQJSNTKNICGK-UHFFFAOYSA-N 438.542 4.911 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ncc(CC)s2)CC1 1594438482 UOVYONJOAQEWOL-TZIWHRDSSA-N 443.661 4.861 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1594511655 SURNKOBXUPFLFR-OAQYLSRUSA-N 425.625 4.663 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CC#N)CC1 1594687793 YLPQKNRWRDNCME-UHFFFAOYSA-N 432.341 4.943 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1595115893 NDPCMYUERPVHOA-ZDXQCDESSA-N 437.632 4.833 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@@]1(C)OCCc2sccc21 1595196531 WGLVWRXGXVVLAT-XMMPIXPASA-N 436.581 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1595200339 ANDURMZQOKKWDV-SANMLTNESA-N 445.567 4.733 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1595411518 VXEZLUIDYBOPNT-UHFFFAOYSA-N 440.338 4.654 30 10 IJEE C=CCSCCn1c(CC)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1595883968 DWZVSJIUYNAJJT-ZDUSSCGKSA-N 431.553 4.619 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1596806004 BLEUOBYQROWUGR-UNVFRBQDSA-N 445.615 4.600 30 10 IJEE C#C[C@H](NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1F 1597002027 GSFLXFPBLDRZTA-PZJWPPBQSA-N 439.836 4.938 30 10 IJEE Cc1nc(SCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c(C#N)c(C)c1C 1598297730 HJNKNXOQUPVUMP-ZDUSSCGKSA-N 446.498 4.930 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc21 1618034102 SCVABBCUPQKAAI-UHFFFAOYSA-N 429.377 4.818 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)Cc2c(C)cc(C)nc2OC)s1 1618817406 FTKKLMVCNLPENT-UHFFFAOYSA-N 426.007 4.518 30 10 IJEE CC[C@@H](CO)N(C1CCC(C(C)(C)C)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1620449996 GRRJULVXBXBQCZ-KGLJTUJHSA-N 425.617 4.731 30 10 IJEE C=CCC[C@H](C(=O)Nc1nccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1)c1ccccc1 1623637955 VPORSNYVRHFXRP-PMACEKPBSA-N 436.556 4.890 30 10 IJEE C=C(C)COc1cccc(NC(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)c1 1626791243 SPYWZJPWTMXDFC-RUZDIDTESA-N 444.572 4.512 30 10 IJEE C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 1631874293 SCODASDCCYXKJD-SNVBAGLBSA-N 449.743 4.684 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2c(C(=O)OC)sc3ccccc23)cc1OC 1632565081 DXAQEBYVIFPJDS-BENRWUELSA-N 437.517 4.591 30 10 IJEE C#CC[C@@H](NC(=O)N(C[C@@H](O)COc1cccc2ccccc12)C(C)C)c1ccccc1 1633351030 JJELEYMKWOLLMJ-ILBGXUMGSA-N 430.548 4.764 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccc(F)c(C)c1)c1ccccc1Cl)C(=O)OC(C)(C)C 1634657065 OLPYDGJKDWHHGQ-JOCHJYFZSA-N 444.934 4.863 30 10 IJEE C#C[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1F 1636311522 BKXFJKZUXROTQS-OAHLLOKOSA-N 434.220 4.839 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2COc3cc(F)ccc3C2)cc1 1637082740 ABKHNCSERVZOAL-QHCPKHFHSA-N 433.458 4.552 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccc(Br)cc3)nnc12 1643374207 YMMGBTWNWWIMFC-ZDUSSCGKSA-N 441.354 4.846 30 10 IJEE C=CCn1c(SCC(=O)N(CC)CC(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 1651597006 XGGBHDGSPPGHKR-UHFFFAOYSA-N 440.535 4.932 30 10 IJEE Cc1cccc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c1Br 1651802088 BLPVMELEPRGIFC-UHFFFAOYSA-N 432.115 4.755 30 10 IJEE C=CCCC[C@H](NC(=O)C1(c2ccc(C)cc2Br)CCCCC1)C(=O)OC 1652016986 IJNPZGCZNGVNFS-IBGZPJMESA-N 436.390 4.974 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 1652928738 PHRNBQCMASAUEJ-OAQYLSRUSA-N 434.584 4.772 30 10 IJEE N#CC(CCN1CCCC[C@H]1COC(=O)N1CCCC1)(c1ccccc1)c1ccccc1 1653561543 DNSNPIGQAVMGHT-VWLOTQADSA-N 431.580 4.973 30 10 IJEE C=CCOc1c(Cl)cc(CN2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)cc1OC 1659198576 WWRNRJYYMRDYCB-ROUUACIJSA-N 436.980 4.887 30 10 IJEE Cn1cc(CN2CCc3c(Br)ccc(Cl)c3C2)c(-c2ccc(C#N)cc2)n1 1664166634 GSXFGZCXPLWGCO-UHFFFAOYSA-N 441.760 4.933 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)cc1OC 1665957193 QPVKLQQEUKKLPD-SBUREZEXSA-N 436.980 4.793 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C1CCOCC1 1667537694 GYFQCFNXYGIHGA-HXUWFJFHSA-N 443.425 4.919 30 10 IJEE C=CCOc1cccc(NC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c1 1667733262 OQXURJSJKIBAOV-UHFFFAOYSA-N 429.826 4.909 30 10 IJEE Cc1cc(NC(=O)NCc2cccc(COCc3ccccc3)c2)c(C#N)cc1N(C)C 1672045625 BHMKUVISRSTZSE-UHFFFAOYSA-N 428.536 4.971 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(-n2ccc(C(=O)OCC)n2)c(F)c1 1672334322 RISSHOCXSFSOGK-UHFFFAOYSA-N 428.508 4.788 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1673507656 CNAFROZZZJCEQR-FDFHNCONSA-N 440.588 4.515 30 10 IJEE C#Cc1ccc(NC(=O)N(C[C@H](O)COc2ccccc2SC)C(C)C)c(Cl)c1 1675169118 CUNAILHYHSGFFK-KRWDZBQOSA-N 432.973 4.725 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CCCC2)cc1 1680624489 FMCVILJJWPJRFQ-HSZRJFAPSA-N 446.595 4.925 30 10 IJEE C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cc(Cl)ccc1OC(F)F 1681042547 GMKYVDNBDWHUFU-AWEZNQCLSA-N 434.874 4.664 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)N[C@H](c3c(Cl)cccc3Cl)C3CC3)CC2)cc1 1682872729 HLBFOQMNZCJRPI-QFIPXVFZSA-N 443.378 4.844 30 10 IJEE N#C[C@H]1CN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)CCN1Cc1ccccc1 1683406623 ADUMVIVVSFBWBE-LOSJGSFVSA-N 434.559 4.867 30 10 IJEE C=CCOCCNC(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1684290691 QXQPYUVTQSDTKR-UHFFFAOYSA-N 437.309 4.725 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1686917654 QYHUOOAILZFWAF-RTBURBONSA-N 434.298 4.620 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccc(F)cc1 1686917899 YVRKQYUDWFCVBA-MOPGFXCFSA-N 448.279 4.651 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(F)(F)CC1 1689877375 XOXNSSAPZHFQQX-SFHVURJKSA-N 432.515 4.856 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCOC[C@@H](C2CCC2)C1 1689901877 RERXJHMHRKDPQG-QHCPKHFHSA-N 436.600 4.530 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@](C)(CC)C1 1689915343 YHQYTONXFGPLCS-XMMPIXPASA-N 435.597 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCS1 1690033268 UJSFGUUGTANFQU-RXVVDRJESA-N 443.016 4.820 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@H](F)C1 1690095406 PPERSZYVOHLFJX-VXKWHMMOSA-N 449.574 4.577 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1690224110 BKNGVEMTKQTJEQ-CYBMUJFWSA-N 446.299 4.651 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCC1CC1 1690238926 PHWWCEUYLVYNQM-QFBILLFUSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1ccccc1OC 1690241921 YYFAQVJWNCLQCB-REWPJTCUSA-N 436.556 4.515 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC1 1690252210 BDQUZDSXDJXGRX-MGPUTAFESA-N 437.371 4.745 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690289529 FUCCJAWWBNBRGD-UHFFFAOYSA-N 437.975 4.850 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1690289902 VBXVDOJVJNWTIO-GOSISDBHSA-N 425.577 4.987 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1690349421 YELXWXYKAWBBII-ZDUSSCGKSA-N 439.010 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(C)C)C1 1690437440 CWKYTNPZTYLXKL-SFHVURJKSA-N 429.634 4.744 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690455012 BMXHCVBHWIMYRB-HXUWFJFHSA-N 427.980 4.546 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccccc1Cl)N(C)C)C1CC1 1690543579 JKKBZZLQHITFPZ-LEWJYISDSA-N 429.996 4.631 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2O[C@H](C)C1 1690633178 NWFCFVXOBYALRP-CYBMUJFWSA-N 431.359 4.743 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1C 1690737560 PYDFKABRXGJZAB-CYBMUJFWSA-N 425.371 4.755 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1690737786 XMKGKWNNLCWSPT-MSOLQXFVSA-N 430.618 4.895 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1705477679 RCTFNYVVABQWAH-CVEARBPZSA-N 441.576 4.817 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC)(CC)C1 1705511295 PECMKDBSXHFDAP-UHFFFAOYSA-N 432.410 4.866 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1705515399 CPKBOWWLNPITFQ-NRFANRHFSA-N 444.526 4.919 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Cc1cccs1 1705620118 MAVKSJSZFIKIDS-AZUAARDMSA-N 438.572 4.501 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705685633 FKNMXLKLYOXPPX-UHFFFAOYSA-N 444.421 4.788 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705687331 ASZVEVGEGOVPIJ-SNRMKQJTSA-N 445.405 4.801 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCc2cc(Br)ccc2C1 1705730984 QGZOWHMKEUWOCO-INIZCTEOSA-N 433.394 4.710 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)C(C)(C)C1 1705740023 ZBRRMQHFPSGIKR-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705758662 CLIKRDRTLLEGLC-UXHICEINSA-N 444.023 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(F)c2F)CC1 1705764013 LCADIKZNEBSMEY-UHFFFAOYSA-N 448.315 4.713 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)SC)CC1 1705764668 IIMHWBJZSDVTAV-ZDUSSCGKSA-N 425.371 4.755 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1705777695 KSAZVWLUVJGIDS-HSZRJFAPSA-N 426.948 4.810 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 1705778180 MTQFWLYGITXCMV-JOCHJYFZSA-N 437.613 4.721 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705806980 QJEFZKVRCYNXRU-UHFFFAOYSA-N 427.637 4.911 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@@H](C)c1ccccc1 1705847638 ZMWFKDFFYBINEZ-KSEOMHKRSA-N 426.605 4.987 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC1=CCCOC1)C1CC1 1705858071 GTCMFIKZJWNWEG-UHFFFAOYSA-N 435.355 4.665 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1707075827 DVDHSBLWEJYWFJ-NRFANRHFSA-N 428.462 4.779 30 10 IJEE Cc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)s1 1707739133 HUTRNXOPBISWLY-KRWDZBQOSA-N 446.502 4.717 30 10 IJEE COC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)CCCC1 1711619256 GTDCXWBPCKUUGB-XLIONFOSSA-N 425.577 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1722282524 NQNZEBWOMRLHRV-OXQOHEQNSA-N 444.526 4.634 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(OC)cc1 1722379880 PHJQLHBTNNYEEL-UHFFFAOYSA-N 444.604 4.600 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1722519189 NUVCEOSPXTXSHV-AZUAARDMSA-N 427.980 4.597 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1722648350 OTCSLQXTIUAIEQ-UHFFFAOYSA-N 431.874 4.798 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCN1CCCC[C@@H]1CC 1722657998 RLOVJOTXOIARAM-ZEQRLZLVSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1C[C@@H]1CC(F)(F)CO1 1722663372 YWWOFBQPENCJIE-KRWDZBQOSA-N 430.524 4.932 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1722671078 IFEIQRBTMOAZTM-JAXLGGSGSA-N 441.645 4.843 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCc2cc(Br)ccc2C1 1722735386 KJEKEFDYLCQORB-UHFFFAOYSA-N 444.402 4.518 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1722739113 GFRGJHFLAJQILE-IBGZPJMESA-N 432.659 4.659 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc2ccccc2[nH]1 1722871905 GQRSYDIAJUMGAK-UCNVEGJOSA-N 434.588 4.517 30 10 IJEE CO[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1729863742 BNZBAMDWJYYBMJ-QVKFZJNVSA-N 447.967 4.926 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccsc1)N(CC)CC 1740541968 LLNMSDZEJFRZBD-APWZRJJASA-N 443.020 4.596 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1740581050 OCLHJJZGDUPUDP-IOMROCGXSA-N 428.552 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1CCC(OC)CC1 1740735235 XNIGJSBNROWEHS-AJEPASEPSA-N 436.600 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1740756155 NXADUQXUDDUKKR-LEDOBFOHSA-N 425.964 4.710 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1CSC 1740778620 NZKPFFSEFQLYES-CQSZACIVSA-N 425.371 4.755 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccoc1 1740788711 ZTHYXJUYRYIRER-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740845691 YIUPZEJYRWRYOJ-UHFFFAOYSA-N 437.632 4.805 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1740853052 WTRNLEIPZWRZRE-UHFFFAOYSA-N 436.604 4.917 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740858832 BGXUSXBRVRVTOL-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1 1740914485 GEAPLHZYNBFJGF-OZXSUGGESA-N 442.567 4.752 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1Cc1csc(COC)n1 1740921061 JYLYEEWOZOUZEB-UHFFFAOYSA-N 441.576 4.919 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)Cc1cccs1 1740930669 OQAFHNYRJVTSAC-KRWDZBQOSA-N 446.580 4.713 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)C1CCCCC1 1740952388 COFXVWLTJLWHES-IBGZPJMESA-N 446.599 4.509 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C)(C)CC2)c(C)o1 1742093137 CTHBKJIYUIYBFT-VWLOTQADSA-N 433.556 4.561 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC2CCCCCC2)CCS1 1745000080 DALUZMNPEHWEMY-JOCHJYFZSA-N 439.629 4.888 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccco1)N(C)C 1748944487 YOVAMENTOFSCQD-NRFANRHFSA-N 447.514 4.521 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCc1cccs1 1748945659 XENLTLMLQKIVHJ-UHFFFAOYSA-N 431.540 4.732 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCC1=CCCCC1 1748953991 ZDUUTKMJEPQGON-UHFFFAOYSA-N 443.389 4.684 30 10 IJEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCC(F)(F)CC1 1749035390 BJHAEOUVZZWVPR-QHCPKHFHSA-N 443.542 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCc1cccnc1 1749147057 XWEZPPYXBFUVOK-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](OC)C(C)(C)C1 1749216975 XBKCCUQENOPYDS-UWJYYQICSA-N 444.645 4.585 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCc2cccc(Br)c2C1 1749231111 FAVBVKRVAHTXFG-UHFFFAOYSA-N 447.421 4.785 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2sc(C)nc2C)CC1 1749343945 VOMXKSKTYMBORK-UHFFFAOYSA-N 443.567 4.866 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1749363351 BHZGMCBYNLTTDV-HSZRJFAPSA-N 444.627 4.962 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1CCN1CCCC(C)(C)C1 1749532094 QFWYUIHKTMEFRV-UHFFFAOYSA-N 434.632 4.663 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCC[C@H](C)C2)CCOCC1 1750257700 AQFHIBZUKLGTRA-RXVVDRJESA-N 439.629 4.744 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1760218150 YYEGOOCHXNCMBX-VWLOTQADSA-N 443.639 4.701 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1N(C)CCCC1(C)C 1760224913 CSROIONMMWVNTL-GMAHTHKFSA-N 437.632 4.615 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CC(F)(F)C1 1760308670 NUJLFEPZYYMGHE-UHFFFAOYSA-N 447.274 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(F)(F)Br 1760330036 QJWWXMZQYZYSHG-ZDUSSCGKSA-N 447.299 4.947 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1760382680 WIJQSIDHSDINRK-IUKKYPGJSA-N 430.980 4.779 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1760406054 QGYZEMCLFGZZJL-CTNGQTDRSA-N 426.630 4.954 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760407289 ZFGXOHCPIHXPFD-XLIONFOSSA-N 442.583 4.933 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](COC)C1 1760408912 IUCQWGKMFIPWRE-IBGZPJMESA-N 444.645 4.729 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1760418787 YCCUEICIAITFGO-JOCHJYFZSA-N 430.600 4.667 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)OCC)C1CC1 1760470075 VHQWYSMWMNIQSJ-UHFFFAOYSA-N 437.357 4.817 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760509231 QKIQRZBUDGNDNR-NRFANRHFSA-N 434.588 4.674 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C2CC2)C1 1760560678 BWLUABJCEYBOGT-AWEZNQCLSA-N 439.448 4.925 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1Nc1cnn(C)c1 1760569516 QPMQLZCEUQMDBZ-UHFFFAOYSA-N 439.372 4.560 30 10 IJEE Cc1ccccc1-c1ncc(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)s1 1859741820 BKELTPXVNROUEN-UHFFFAOYSA-N 436.500 4.976 30 10 IJEE COc1cc(Br)cc2cc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)oc12 1859743824 KSZCJBJLDAESHO-UHFFFAOYSA-N 437.253 4.514 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)c1C#N 1860666116 UKSRFFZRIJRKQB-CYBMUJFWSA-N 431.508 4.686 30 10 IJEE CC1CCN(c2ccc(NC(=O)C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 1860727018 BTZURXKSFUELGL-YCRREMRBSA-N 427.888 4.706 30 10 IJEE N#Cc1ccc(NC(=O)CCCCCNC(=O)/C=C/c2ccc(Br)cc2)cc1 1860914217 DOPPALQPHPZTTM-NTEUORMPSA-N 440.341 4.649 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)CCc1ccc(C)cc1 1861943009 SZSKPOXIVLIYBK-DEOSSOPVSA-N 436.621 4.546 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cc(Cl)cc(Cl)c1)c1ccccc1Cl 1862444299 WCSIEWDSLBELIO-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc(Cl)cc(Cl)c1 1862444470 ZDYVDFHTYPGDAG-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc2c(c1)CCCC2 1862546046 ONEYAEKGAWQCGG-HSZRJFAPSA-N 445.515 4.785 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2)cc1 1862589125 FKIXQCLASXFXBG-MWTRTKDXSA-N 429.472 4.740 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862596189 HAGCHUXAMIZBKS-DEOSSOPVSA-N 443.499 4.878 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1 1862634122 UIAIMFOUWGGQBR-BLVKFPJESA-N 447.409 4.811 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1863446169 UCLJVTIAGNZVDJ-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE C=CCNC1=C(c2c[nH]c3ccccc23)C(=O)N([C@@H](C)c2ccc3c(c2)CCCC3)C1=O 1863822324 GWVOMDXPERXVIX-KRWDZBQOSA-N 425.532 4.663 30 10 IJEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(Cc3ccccc3)cc2)cc1 1870150365 GOUOALOLJGBGRL-UHFFFAOYSA-N 435.531 4.863 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870346710 ZTECDPJSIAQKLL-HZPDHXFCSA-N 437.367 4.529 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN2CCC(O)CC2)cc1=O 1870416777 OGRXQTUHQVSXNB-UHFFFAOYSA-N 426.601 4.511 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)cc1CN(CCC)CCC 1870734375 JIEJMFUPMJRBCO-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870813449 LSZDYOGEMVBHLO-UHFFFAOYSA-N 445.563 4.682 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(-c4ccccc4)cc1)O3)CN(C[C@@H](C)O)CO2 1871349802 UUXDMRBLWRYYTK-WTZXFZKGSA-N 427.500 4.811 30 10 IJEE O=C(O)/C=C/c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871381982 IIYBQJSSGLHTAF-CDSBARFGSA-N 430.387 4.759 30 10 IJEE Cc1cccc(CN2CCN(Cc3c(O)ccc4c3O/C(=C\c3cccs3)C4=O)CC2)c1 1871397748 MMMOFJFVALCISX-IWIPYMOSSA-N 446.572 4.696 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872083449 FXNFEIXTAAKFBP-QHCPKHFHSA-N 428.598 4.850 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872250481 XYUQLGZLCBXMLE-OAQYLSRUSA-N 446.638 4.549 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872315947 UPKGDNSDQSLOSL-LIRRHRJNSA-N 441.018 4.940 30 10 IJEE CCCCCCCOc1nonc1C(=O)NCCc1nc(-c2ccc(OC)cc2)cs1 1872710653 IFOWNDFOCAEUMH-UHFFFAOYSA-N 444.557 4.523 30 10 IJEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1872759422 NZPCYNMZELKKLI-DBWMJRBXSA-N 435.461 4.625 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2cccc(Br)c2)C1=O 1873228743 ZPQNNPBDAVARDZ-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)cc2C1=O 1874183920 HWJMBMRWMJTPNN-UHFFFAOYSA-N 446.890 4.953 30 10 IJEE CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(C(F)(F)F)cc1 1874259598 JJPDERPWVVSXJT-PGGKNCGUSA-N 428.386 4.758 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874273694 JTQRKTGVWRSNJI-HKXVIOCSSA-N 440.400 4.694 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)cc1 1874306252 NMZGGTUIVPSXFU-JVWAILMASA-N 447.539 4.781 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccn2C)cc1 1874307222 LFJCISAFQCQWMR-LGUFXXKBSA-N 445.592 4.627 30 10 IJEE COC(=O)c1ccc(CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccco2)o1 1874396514 JXHUNFAMRIXZNA-LJGKHRNASA-N 436.493 4.577 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccc2ccccc12 1874431064 JNZURPWNFZRYSQ-VULFUBBASA-N 429.549 4.550 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)c1OC 1874459370 JROVEXDAUDBEAD-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1c(F)cccc1Cl 1874479519 DQDFQOFQMNCLQB-LSHDLFTRSA-N 426.945 4.587 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1 1874480388 UQOJEZOVBAGIHO-STPJHCLOSA-N 439.560 4.612 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2c[nH]c3ccccc23)o1 1874487681 JXFZFOBGEXRJQK-WYMPLXKRSA-N 437.525 4.512 30 10 IJEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1OC 1874502319 BHPZRGYIGMFDII-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C(C)C)cc(OC)c1O 1874513576 GASMQCKKQISVDW-FOKLQQMPSA-N 446.960 4.952 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Cl)c1OC(=O)COCCOC 1875100859 LGYFQCGWCDBWIM-DHZHZOJOSA-N 446.927 4.766 30 10 IJEE CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H](c2ccccc2F)C1 1891124536 FFBULFLAXGIHTN-QGZVFWFLSA-N 434.355 4.992 30 10 IJEE C[C@@H]1[C@@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(C)(C)CN1Cc1ccccc1 1916220803 BAYCHLFASGORNU-BWKNWUBXSA-N 448.460 4.765 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1922134550 UEGHHCMFRXZLRO-ZTCOLXNVSA-N 441.568 4.619 30 10 IJEE CCC[C@]1(C)CSC(=Nc2cc(Br)ccc2I)N1 2029944469 JFUMRTIPJRVPNC-CYBMUJFWSA-N 439.160 4.936 30 10 IJEE O=C(C=Cc1cccc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 2053614916 PPCXZHZCFCJDOO-UHFFFAOYSA-N 447.556 4.946 30 10 IJEE N#Cc1c(C2CCCCC2)nn2c(O)cc(-c3ccc(I)cc3)nc12 2080828759 WRJOIWSOCIASBF-UHFFFAOYSA-N 444.276 4.626 30 10 IJEE N#Cc1c(C2CCC2)nn2c(Cl)cc(-c3ccc(I)cc3)nc12 2081398072 ZPTHMCMSKFYVFI-UHFFFAOYSA-N 434.668 4.793 30 10 IJEE CC(C)(C)c1nn2c(N)c(C#N)cnc2c1-c1ccc(C(F)(F)F)c(Br)c1 2081480543 XIHMLOFSHXFCQP-UHFFFAOYSA-N 438.251 4.929 30 10 IJEE CCc1ccc(Nc2cc(Br)cnc2C#N)cc1I 2128728713 WGRVIGWCNWABLY-UHFFFAOYSA-N 428.071 4.626 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3cc(Br)cnc3C#N)CCCCC[C@H]12 2167613445 NBMSKPPHGMDWJW-PXNSSMCTSA-N 435.366 4.840 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2cc(Br)cc(C#N)c2)C1 2174808430 NXYBVQRUYCWOOO-OAHLLOKOSA-N 444.320 4.792 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(C)nn(C)c2Br)cc1 2197531723 GMLXCZUHAWBQPY-OAHLLOKOSA-N 435.322 4.506 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN1c1ccc(C#N)c(Br)c1F)C2 2200728806 OMLLEJYWPMORQJ-XCLFUZPHSA-N 438.341 4.734 30 10 IJEE C[C@H](CC1CCN(c2cc(Br)cc(F)c2C#N)CC1)NC(=O)OC(C)(C)C 2203522685 BYLWDAHIZOTRHA-CYBMUJFWSA-N 440.357 4.980 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)(F)F)NC 2212102899 IRDMEVXXHOFQIR-NQIIRXRSSA-N 430.511 4.831 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)CC#C[Si](C)(C)C 2229102359 WKJYIQAOHJQDMM-ZWKOTPCHSA-N 440.454 4.517 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2235721301 AXBONCJWGIZQDA-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(C)C 2235731960 QRPXMDVQWBEIJF-JUXOCIIHSA-N 435.406 4.718 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H]2CCC[C@H]2N1C(=O)OC(C)(C)C 2235735630 UKLAGVSGTUZFOH-NBYUQASBSA-N 433.390 4.567 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1ccco1 2255825685 DEUBAYINZZJXHT-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2255831380 UXWYAVFSZQJZQF-KRWDZBQOSA-N 442.434 4.828 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2262203022 CEOKHMLHIZJJMU-OFVILXPXSA-N 447.572 4.655 30 10 IJEE C[C@@H]1C[C@](C#N)([C@@](C)(O)c2cc(Br)c(Br)s2)CCS1 2266453330 FYGVDAVWRHKFJO-OXHMUOHRSA-N 425.211 4.906 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267093805 YDLPCBZSAMHCTE-RBUKOAKNSA-N 444.381 4.565 30 10 IJEE C=C(CN(C)C(=O)CCc1cccc(NC(=O)OC(C)(C)C)c1)B1OC(C)(C)C(C)(C)O1 2268648443 YWKUWMCLHPNESH-UHFFFAOYSA-N 444.381 4.612 30 10 IJEE C[C@H](Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)c1cc(Br)cs1 2269007775 OKHOAYCOVXCGCK-JTQLQIEISA-N 427.148 4.517 30 10 IJEE CCN[C@@H](C#CC1CCCC1)c1cc(I)ccc1Br 2273967978 UTJDPHPBGBHLNX-INIZCTEOSA-N 432.143 4.898 30 10 IJEE C=CCCC1([C@@H](O)Cc2cc(OC)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2280945783 VBBOCQSLFBSODM-SFHVURJKSA-N 440.378 4.564 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCCC(=O)Nc2cc(Br)ccc2C#N)C1 2296143848 WRRJAPCCYSDMEW-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2296271148 CLJVILOECWACMJ-OALUTQOASA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2296279209 MRUORVDFRWJLAK-QUCCMNQESA-N 433.390 4.592 30 10 IJEE CC(C)n1c(=NC(=O)C=Cc2ccc(Cl)cc2)c(C#N)cc2c(=O)n3ccccc3cc21 2296628314 AVYWSADYQJTFBH-UHFFFAOYSA-N 442.906 4.501 30 10 IJEE C[C@@H](CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2317347367 WRFCMVIFHMVGHM-HVJHFUJKSA-N 432.370 4.656 30 10 IJEE Oc1nc(CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)nc2ccccc12 2320874328 FQMNWJLIPWNSJC-UHFFFAOYSA-N 436.928 4.632 30 10 IJEE O=c1cnnc(SCc2ccccc2F)n1N=Cc1ccc(-c2ccccc2Cl)o1 2321647317 SZWLLNMQHRSHHQ-UHFFFAOYSA-N 440.887 4.865 30 10 IJEE COc1ccc2[nH]cc(C=Nn3cnnc3SCC(=O)Nc3ccc(C(C)C)cc3)c2c1 2321862496 DVFCZNFNDPUDQW-UHFFFAOYSA-N 448.552 4.504 30 10 IJEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 2321968285 HIIUPXCWWOKURR-UHFFFAOYSA-N 428.517 4.567 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(C)cc2)cc(Br)cc1OC 2322595582 GPQDVNBLIZZWFG-UHFFFAOYSA-N 447.325 4.994 30 10 IJEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2cc(OC)ccc2OC)o1 2322659423 LEZYZJSZLLCMAN-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2ccc(F)cc2)c1OCC(=O)Nc1nccs1 2322748278 LCPDPYOUGBHYSB-UHFFFAOYSA-N 446.887 4.858 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccco1 2323022144 BVLSOONBRHAWPJ-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1C 2323187033 WEJLHPIAXXVDTH-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)s1 2325447156 RQQMGCZBUJZJCY-HNNXBMFYSA-N 449.532 4.740 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325736200 LPRGVJWLHNOVCR-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1N=Cc1ccc(OCC)c([N+](=O)[O-])c1 2326220610 BWJMFKKGJSTJML-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)ccc1OC 2326668745 BHRVGUFQJQGZTC-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(O)cc1O 2327956890 VBMIZESNNSUMAG-UHFFFAOYSA-N 428.945 4.678 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(OC)c(O)c1 2328566970 MDZRKZUWKFYBNB-UHFFFAOYSA-N 438.553 4.532 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(O)c(O)c2)c1 2329717355 TWXTVTJBCZTEPL-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330658747 WKSJQCCMOWIPGW-UHFFFAOYSA-N 448.379 4.752 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)COCc1ccccc1 2331108795 SHCXPULGZZDMOG-UHFFFAOYSA-N 438.426 4.992 30 10 IJEE C=CCSc1nnc(-c2ccco2)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331216002 NZCCCEXERMZQGJ-UHFFFAOYSA-N 449.330 4.565 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2F)c1 2331497902 MQDALKKCOFWFNE-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CC(C)(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2c(F)cccc2Cl)cc1 2332148357 PLWDYCFIRXIUSB-UHFFFAOYSA-N 437.906 4.940 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2ccc(C)c(C)c2)c2ccccc2)cc1 2332190556 VTZMLFUTJOUFMP-UHFFFAOYSA-N 449.514 4.944 30 10 IJEE CCN[C@@H](C#Cc1nccs1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2338229749 DJWDBNWVYJQZHN-HNNXBMFYSA-N 436.375 4.955 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1F 2342481764 JVSQJUUQZOCECB-QHCPKHFHSA-N 448.344 4.871 30 10 IJEE Cc1ccc(CNC(=O)OC(C)(C)C)cc1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2344996103 DZOBEDBYPZGXBQ-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2cc(Br)cc(F)c2F)OC1(C)C 2364928018 NXZQGAAHNQFKAP-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3cccc(OC)c3)c(OC)c1)C2=O 8823836 JWRADOIKLVITSL-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE COC(=O)c1ccc(/N=C2/S/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)N2C)cc1 33293766 BKQJLAWKMNQSHT-GAGNVJRZSA-N 446.532 4.510 30 10 IJEE Cc1nn(-c2ccccc2)cc1/C=C1\CN(C)C/C(=C\c2cn(-c3ccccc3)nc2C)C1=O 33587034 JNJSCPZYJOASTQ-KOJZRSEWSA-N 449.558 4.656 30 10 IJEE CC(C)(C)c1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccco4)CC3)o2)cc1 36629222 IIUANUQCDSSODI-DHZHZOJOSA-N 430.508 4.570 30 10 IJEE Cc1cccc(/N=C2/S/C(=C3\C(=O)Nc4ccc(F)cc43)C(=O)N2C2CCCCC2)n1 39863672 OIYAYKTXFXMJAC-HAWGXLLPSA-N 436.512 4.788 30 10 IJEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 39913393 IKYWKWYWHKEIME-FQEVSTJZSA-N 425.868 4.503 30 10 IJEE CC(=O)Nc1cc(C(=O)/N=C(/NCc2ccccn2)Nc2cccc(Cl)c2C)ccc1C 46125668 UPUQSDMYHAARMK-UHFFFAOYSA-N 449.942 4.708 30 10 IJEE CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2CC)cc1 58947062 FUJXHEDXXOUPBR-LRVSTDGRSA-N 425.554 4.682 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1)NC1CCCC1 59310158 AAZCFQKLFHFNDJ-AFUMVMLFSA-N 444.564 4.708 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Cl)c2)cc1C 102903820 OODROGNURHHGIF-LYHOESIGSA-N 440.908 4.740 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccco2)c1 103127768 CNOTUXLAJJLDPQ-GOBJLOIFSA-N 446.484 4.833 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)S/C(=C\c2cccc(OC)c2OC)C1=O 103200635 GUBZUPNDTLVYIG-AQTBWJFISA-N 425.506 4.556 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C2/CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 142756415 NQNGZVUKAFQWRI-GANQHPMASA-N 438.593 4.891 30 10 IJEE in-vitro CCCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC 169904484 HHVUITWCXNCKAK-YDZHTSKRSA-N 438.977 4.765 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925464 PEMHANGPSGFAGT-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2C)c1 169937288 RSEYDIGKADUBGT-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccn2)s1 169993386 RACIAUPTULVKOM-QGZVFWFLSA-N 443.887 4.730 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)cc1 170034069 GMSILHMWYACBQX-QHCPKHFHSA-N 449.503 4.725 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2)c1 170047671 FGJOVPVUAKLISE-XMMPIXPASA-N 441.483 4.803 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1C 170058224 QPQBREOVUSKEDI-FPOVZHCZSA-N 425.912 4.714 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccco1)c1ccc(Cl)cc1 170099245 PBXXJCDZXXZEHS-SFHVURJKSA-N 437.814 4.731 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(C)c2)cc1C 170139930 MWNPCBFSWCUPBD-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccncc3)oc12 170198359 SYJGSBLDKBRXHQ-FQEVSTJZSA-N 446.484 4.676 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)ccc1F 170234636 APNOHEHSPXRLOB-OAQYLSRUSA-N 427.435 4.793 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c[nH]c2ccccc12 170254548 IVOZVQZPLLXXFF-DEOSSOPVSA-N 444.531 4.662 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(O)c1 170258685 AWJRMABRMUPRCK-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1 170280034 ADNVCDWCDDBUMT-JOCHJYFZSA-N 429.428 4.813 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccco2)c1 170281238 GSIJQFNRVGWYBG-QFIPXVFZSA-N 447.443 4.580 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(C)o1 170298226 KZLFYZMLVJOIKV-LJQANCHMSA-N 427.453 4.576 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306293 ZFTDMIVOXNIWTF-NRFANRHFSA-N 437.398 4.584 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1sccc1C 170316638 YMRHXQDRBXCNEV-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cn(C)c3ccccc23)cc1 170394784 BRIDKTGXJIIMPA-DEOSSOPVSA-N 437.499 4.919 30 10 IJEE CN1CCC[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H]1c1cccs1 438078560 VXINTEHTSAUHGT-RDPSFJRHSA-N 430.577 4.748 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2scnc2C2CC2)c1 477096283 GZGRAFGPTCYSRO-UHFFFAOYSA-N 434.546 4.875 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccncc2)cc1OC 526517567 SEPXCTKRJFWSPD-XMMPIXPASA-N 441.487 4.808 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1cc(OC)c(O)c(OC)c1 526821297 LGNTWFVSXQIBFD-QFEZKATASA-N 448.548 4.891 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(Oc2ccc(F)cc2F)CC1 533240217 ZHPRLYPUHAGOIE-MRXNPFEDSA-N 445.535 4.698 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC2CCCC2)CC1 558989119 JZKFWOSQKPAQPL-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 559026068 MARHOXPFLRNQMN-LJQANCHMSA-N 441.645 4.586 30 10 IJEE Cc1cc(N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)n2nc(C(F)(F)F)nc2n1 572380872 ZZOWCPJWXRXQAY-MRXNPFEDSA-N 433.331 4.545 30 10 IJEE N#Cc1ccc(CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(F)cc2)cc1 586202973 SWIPIKJYFQQDAE-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE CCOc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(Br)c(C)c2)cc1 586251730 JWENZEGMIIYGQC-UHFFFAOYSA-N 437.359 4.655 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)c(F)c1 609470595 BZPXXLVRFBNUEW-UHFFFAOYSA-N 443.482 4.609 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 619741945 YRUJXZGINCNOIS-RUZDIDTESA-N 431.515 4.979 30 10 IJEE N#C[C@H](C(=O)c1cccc(F)c1I)c1ccc(Br)cc1 721680768 FTDZRUUXKWKTCA-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE C=CCC1([C@@H](Cc2ccc(Br)cc2F)NCC)CN(C(=O)OC(C)(C)C)C1 722919799 CEQYNXMQMHXVPT-GOSISDBHSA-N 441.385 4.922 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 735345853 IAEZKUBQONZUBW-UHFFFAOYSA-N 429.841 4.631 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCc1cc(Cl)ccc1OCC#N)O[C@@H](C)C2 735349033 FCPIUHHEYPDANA-ADLFWFRXSA-N 441.911 4.811 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 741536963 GSVCFINXEKYMPG-QZTJIDSGSA-N 436.512 4.768 30 10 IJEE CC#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 762493514 FSVNZSXPKMRJTG-GOSISDBHSA-N 445.466 4.689 30 10 IJEE N#C[C@H]1CSCCN1C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 775496415 UJLYRLSBCIENPJ-INIZCTEOSA-N 438.350 4.745 30 10 IJEE C=CC[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccncc1 788227200 ZSUSFHUQMPVLLD-OALUTQOASA-N 444.963 4.828 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 796793520 SGBZKLSRMYRTPF-SGTLLEGYSA-N 433.291 4.558 30 10 IJEE CCCCCOC(=O)CSc1n[nH]c(NN=C(c2ccccc2)c2cccs2)n1 1084509549 PKBXCQHONMCJNO-UHFFFAOYSA-N 429.571 4.556 30 10 IJEE C=CCC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1I)c1ccccc1 1127385094 UXNMLTBIOWEYNX-MRXNPFEDSA-N 437.325 4.680 30 10 IJEE N#Cc1cc(NC(=O)c2cnn(-c3cccc(Br)c3)c2)ccc1Br 1129470361 DBDMRTRBPKLETO-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE C=CCCSCCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 1130881268 BPLFOVXATNMIHD-UHFFFAOYSA-N 447.398 4.669 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1ccc(C(F)(F)F)cc1 1137721461 BYWHXYAOXSCHDI-INIZCTEOSA-N 446.878 4.595 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 1146963915 YESCLLVLUQJOJA-OAHLLOKOSA-N 434.430 4.955 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccc(Sc2cccc(Br)c2)n1)C(=O)OC 1155474032 BDMOYXBOUDQUKS-QGZVFWFLSA-N 449.370 4.623 30 10 IJEE O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cc(C(F)(F)F)ccc1F 1161664523 HCPHJGWJQBJZQI-DOTOQJQBSA-N 434.355 4.605 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cc2)cc1C 1162686144 ANGQNAYSAXAKHM-IBGZPJMESA-N 447.560 4.809 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164430538 PFBXWTNNVHHLNM-AWEZNQCLSA-N 440.590 4.848 30 10 IJEE C=CCn1c(O)nnc1S[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 1188970179 GWHNWVDYNXGDQQ-CQSZACIVSA-N 448.495 4.542 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1206233370 XADKVUBYWKEYEU-GOSISDBHSA-N 431.330 4.837 30 10 IJEE CCCc1ccc([C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)C(C)C)cc1 1209075347 AASBNBIUIMLYMT-FQEVSTJZSA-N 435.387 4.949 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 1211946324 XDWFGCAXQFPVCJ-MRXNPFEDSA-N 440.443 4.621 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)cc(OC)c1OC 1219405427 CXZIHSRJTNEBEF-UHFFFAOYSA-N 444.944 4.926 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CCCC1 1248674401 CBLBUMHNTSCWQJ-LEWJYISDSA-N 449.636 4.617 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 1265188572 BOKXPEKRJMQYPM-UHFFFAOYSA-N 446.326 4.793 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CCC(=O)OC)c2cccc(F)c2)s1 1265439456 HTUFHCANYVCRDL-UHFFFAOYSA-N 442.965 4.574 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cc1 1269750457 RAXRVLGLCALLBS-UHFFFAOYSA-N 444.915 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(C#N)c2)[C@@H](c2ccccc2Cl)C1 1270242176 GEVHIVCNFOWZMS-GOSISDBHSA-N 431.945 4.707 30 10 IJEE C=CC[C@@H]1N(C(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)CCCC1(C)C 1270794280 YJXMWPQNBNUGJH-FQEVSTJZSA-N 446.613 4.518 30 10 IJEE C#C[C@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1275498145 MJVNIFVBHDOZQF-ABLBRZHQSA-N 448.966 4.989 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)c1ccccc1 1277180725 IUAMKMVEQOIILX-HNNXBMFYSA-N 439.224 4.697 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1286356104 APGIOHZVCLGRMH-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286428532 NFVDNDARVUHBCU-PMACEKPBSA-N 444.501 4.634 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1 1286455293 UDSBSTYKONDWLC-HXUWFJFHSA-N 439.623 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1286527275 GSRXSAFCQJNLJX-SHQCIBLASA-N 443.595 4.992 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1286648906 WJUKXZHLVOLCTE-UHFFFAOYSA-N 447.583 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1csc([C@@H](C)OC)n1 1286717020 PWOYSZZWAPPAFW-CYBMUJFWSA-N 448.390 4.542 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1286770422 FLOWUUHFOQWROI-QUCCMNQESA-N 435.538 4.717 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(OCC2CC2)CC1 1286830191 PTOMIMFBXXECPD-UHFFFAOYSA-N 433.021 4.913 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)OCCc2sccc21 1287363277 DIJLDDUGAXMGML-XMMPIXPASA-N 435.597 4.534 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC(F)(F)C2)cc1OC 1296723920 CBHCROMUWXTHRG-HZPDHXFCSA-N 433.503 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)cc1C(F)(F)F 1300285973 CKODNQZZCPNXEB-LBPRGKRZSA-N 437.828 4.658 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301194512 LGKJTFITKFLAGO-JOCHJYFZSA-N 438.616 4.560 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)c(F)c1 1301278178 GWDOUJIOPFQFEC-OAHLLOKOSA-N 426.561 4.950 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)c1ccc(F)cc1 1301310099 KPERZHFXVBSOMD-XKGZKEIXSA-N 443.567 4.614 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1 1301612935 RTQYYQLRJHJEKX-MOPGFXCFSA-N 449.665 4.548 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1301615066 DVCLXZXAUUKKMC-DLBZAZTESA-N 427.643 4.600 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cn3)c2)CC1 1302585571 AGRSKUFWDNPPQG-UHFFFAOYSA-N 436.874 4.500 30 10 IJEE C=CCn1c(SCCc2nnn(C(C)(C)C)n2)nnc1-c1ccc(C(C)(C)C)cc1 1307253753 XUBXUZHSLYOBDD-UHFFFAOYSA-N 425.606 4.505 30 10 IJEE C#CCN(C)[C@H](C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC)c1ccccc1 1307740058 CCRUJQCTPBWKIK-QFIPXVFZSA-N 432.545 4.837 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(I)cc1Cl 1310026119 NLTLNFPZGKYRJJ-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1F 1312936660 JHDDMBAXHLJQJQ-XXBNENTESA-N 449.954 4.586 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCC1 1314059725 AEQMTDKSJDXQQP-OZXSUGGESA-N 446.599 4.932 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@@H](C)[C@H]1CCCO1)c1ccc2c(c1)OCCO2 1350085155 ITTDWDBSNZMCRX-DENIHFKCSA-N 437.536 4.761 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cn(-c2ccccc2C)nn1 1353012723 CWIAJHPSZTYTMS-UHFFFAOYSA-N 425.467 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1c(C)noc1C 1358875333 NPVODSNOPGYXBY-OAHLLOKOSA-N 446.580 4.682 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1359012958 FFKGZLOOBQWWBE-ICSRJNTNSA-N 434.506 4.994 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCCN(C)c1ccccc1 1359067389 LMMZKDPGVSOZPY-RUZDIDTESA-N 449.002 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(c2ccccc2F)C1 1359112371 HWMIVSUYSNBZPK-KNQAVFIVSA-N 427.568 4.588 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1359179922 KZIYRYWANOIQQQ-FDDCHVKYSA-N 430.543 4.611 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@](C)(OC)C1CC1)C1CC1 1359247736 NICZGZHFLFVHLS-IBGZPJMESA-N 437.407 4.739 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1359263545 DQAVQIQQFDNCLB-JOCHJYFZSA-N 433.691 4.558 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1359342247 SLNJIDLRIAYOSR-MJGOQNOKSA-N 447.674 4.842 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)CCCN1C(=O)OC(C)(C)C 1360260160 VACXEFJLNRPFRV-RUZDIDTESA-N 441.572 4.711 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1360465889 CKXMKGCJRHEICL-WMZOPIPTSA-N 439.610 4.741 30 10 IJEE CCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1cccc(Br)c1 1459365211 BUOWIHAVLXTJLK-UHFFFAOYSA-N 428.374 4.835 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3ccccc3)[C@@H]2C)n(Cc2ccc(F)cc2)c1C 1459618134 BGAOXQJBHVNAGI-RDPSFJRHSA-N 444.554 4.981 30 10 IJEE C#C[C@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1460786740 JHFKZEYPLSTHDN-SFHVURJKSA-N 438.808 4.729 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CCc3cc(Br)ccc3NC2=O)cc1Cl 1461709629 LLCXGBROCCKFNR-GOSISDBHSA-N 435.749 4.710 30 10 IJEE C=CCOCCCNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1465331603 QLHACIXVNFMCCT-UHFFFAOYSA-N 433.386 4.851 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)Oc1ccccc1Br 1469199141 GLKPMPHUMHIFFX-INIZCTEOSA-N 433.346 4.623 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccc(OC)cc1 1472921618 UEQZGBPTVBMLNP-LJQANCHMSA-N 443.956 4.670 30 10 IJEE CCc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)n1 1472965651 HMGIRHVGYRLHAE-UHFFFAOYSA-N 445.474 4.646 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H]3c3cc(F)cc(Br)c3)C2=O)cc1 1473363691 DBOCJATWZKEGLF-NHCUHLMSSA-N 442.332 4.792 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c1 1476103814 IBOSSMIJVGSPMB-FQEVSTJZSA-N 427.932 4.721 30 10 IJEE CC(C)COC1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 1476551520 ASXCZMRQCALXNZ-UHFFFAOYSA-N 438.475 4.513 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCC[C@@H]1Oc1ccc(OCCC)cc1 1477862674 PJYGPWRLIKVFMK-NOZRDPDXSA-N 436.552 4.677 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OCC 1507522530 HLKRTRCPXOGGGS-KRWDZBQOSA-N 435.597 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nnc(C)s1 1507762532 VQXMCOSZRLLWME-HXUWFJFHSA-N 447.395 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1Cc1cn(CCCCC)nc1C 1507770497 MBZYPYDKKYSVIW-HHHXNRCGSA-N 444.627 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@](C)(OC)CC1 1507807477 VTIFOTIRJZGNMI-GVUKDKGQSA-N 438.616 4.554 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccnc(SCC)c2)CC1 1507902061 SPEKAXIOEDBFAY-UHFFFAOYSA-N 437.588 4.966 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507925461 CXOBBBVIDLXWAO-HNNXBMFYSA-N 436.387 4.665 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccccc1 1507927867 FSWZFGVPHXHBFA-NZQKXSOJSA-N 431.584 4.628 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507970470 IZYCOOKIWLOQFK-WCQYABFASA-N 432.288 4.952 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(F)cc1)N(C)C)C1CC1 1507989706 DQXZDXAFJQGNRV-FQEVSTJZSA-N 440.954 4.590 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCN1CCC[C@@H]1C 1508008212 DPKIUESCYLZWOG-SFHVURJKSA-N 425.577 4.823 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1508015198 NCHBAJFXUXAAKS-NHCUHLMSSA-N 445.615 4.634 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(C)C)nc1 1508021653 TZJUDIRCSNVXJX-UHFFFAOYSA-N 442.567 4.591 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCS1 1508037976 PFFFPOBHUHWMRE-GOSISDBHSA-N 432.659 4.810 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C[C@@H]1CC 1508152643 PFCKKACVMNTPDG-ZBFHGGJFSA-N 438.439 4.590 30 10 IJEE CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1514448381 CTGQSJQSZXKTTC-UHFFFAOYSA-N 440.592 4.700 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1)c1ccccc1 1519372420 ANWUNAUULIBKJR-JOCHJYFZSA-N 425.488 4.529 30 10 IJEE N#Cc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c(F)c1 1522538303 BMCMBZWQYXZMTO-UHFFFAOYSA-N 436.283 4.832 30 10 IJEE C=CCC1(CNC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)CCCC1 1525699312 OGXPOZIPFXXBGG-UHFFFAOYSA-N 435.597 4.900 30 10 IJEE C=CCCOCC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1526683147 CAQITGZEZWYGFU-IBGZPJMESA-N 439.408 4.863 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(N=S(C)(C)=O)c2)cc1C 1528530831 BOSXAIJIUSCGOS-UHFFFAOYSA-N 435.553 4.692 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1ccccc1 1533767254 ZTKGFTYRNOMJBZ-RTWAWAEBSA-N 446.638 4.671 30 10 IJEE C#C[C@@H](NC(=O)CCc1ccc(Br)cc1F)c1ccc(Br)cc1 1535479081 LGSPZIUVZLXFDE-QGZVFWFLSA-N 439.122 4.774 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1537317088 LMTQVYZTTRXWEM-RDPSFJRHSA-N 437.580 4.940 30 10 IJEE Cc1ccccc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCC[C@@H](C)C1 1537747277 BUFORSPMYWALOK-IUVOSCESSA-N 429.564 4.903 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(CCOC)CCCC1 1538975358 ZSQLCMNKEBHFCS-RBUKOAKNSA-N 428.552 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@H]1C 1539305776 ORHNRSIMFSAUCY-CVEARBPZSA-N 431.403 4.668 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C 1539384907 QODMVYNZZCBMNV-UNMCSNQZSA-N 426.580 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1539632955 VZPJUPHJENDLPB-QTEQDKRBSA-N 426.580 4.981 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1539928727 GNEIABONCOIZDL-ZWKOTPCHSA-N 433.641 4.917 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H](OC)C(C)(C)C 1540161272 AKBZSVQMAHQHQS-SFHVURJKSA-N 433.394 4.947 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1540168680 TXIXZSKYNPAHKW-SMIHKQSGSA-N 436.600 4.827 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC1(C)C 1540169055 YSSQQDPJYBDMSU-RBUKOAKNSA-N 429.609 4.617 30 10 IJEE C=CC[C@@H](C(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 1540688926 RDENSHIMANIWMJ-NZQKXSOJSA-N 430.552 4.610 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCC(C(F)(F)F)CC2)C1 1540890836 KUPOSKLUNFATRW-GMNCBBECSA-N 442.526 4.670 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@]23CCCC[C@H]2C3)c1 1544300195 VFCWUXABBBPWLS-FDDCHVKYSA-N 444.984 4.784 30 10 IJEE C=CC[C@H]1CCCN(c2nc(CN3CCCCC3)nc3sc(C(=O)OCC)c(C)c23)C1 1559231816 IRCZRQJAFKXZMU-SFHVURJKSA-N 442.629 4.955 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)ccc2c1=O 1566772815 KZGSITRWQBXMKH-NSHDSACASA-N 434.348 4.669 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c1 1568011516 XQSRXABRKFRTQE-JOCHJYFZSA-N 428.598 4.576 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 1569724623 AXXSTXZTHCGDHN-MSOLQXFVSA-N 449.979 4.526 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 1586031982 UVEIHZISTXJQGS-GEFUHLBYSA-N 444.553 4.501 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1589427200 DAMZOOWCJHAAMF-LJQANCHMSA-N 442.336 4.653 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCN(CCC)C(=O)OC(C)(C)C 1589657858 MLGYHYGOZZQHKL-IBGZPJMESA-N 435.613 4.569 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H](C)Oc1ccc(Cl)cc1 1589668908 HBEYHPBAIYUKFX-SFHVURJKSA-N 425.964 4.787 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1595038163 RFDAEODPOGADCD-UHFFFAOYSA-N 428.993 4.951 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCc2sccc2C1)C(C)C 1595166203 RARVRFKADVZRRL-QFIPXVFZSA-N 448.640 4.663 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCc3ccc(F)cc3C2)nnc1C(C)(C)C)C(C)C 1595170916 MNSMYRISLRIXPE-QHCPKHFHSA-N 439.623 4.976 30 10 IJEE C=CCn1c(SCCCNC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CCCCC3 1613117743 BIDCVQLGIVCVCP-UHFFFAOYSA-N 449.642 4.920 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 1615440845 HJMWHFDHZXJZEB-OAHLLOKOSA-N 439.922 4.632 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1OC 1617065717 KQVQZCRGLPDOFJ-XETPZZHUSA-N 448.485 4.711 30 10 IJEE COc1ccc(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)cc1 1619226498 HURVAUXHBFORIG-XXBNENTESA-N 437.588 4.537 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(I)cc1O 1628284102 AILXUQOIDSYMCI-UHFFFAOYSA-N 433.698 4.540 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC[C@H]2C(C)C)c(F)c1 1631931772 WASFZSJSUXTFIQ-UXHICEINSA-N 431.552 4.696 30 10 IJEE COc1ccccc1Nc1ncccc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1632530297 AAPOJAKXPYUSKH-UHFFFAOYSA-N 444.882 4.797 30 10 IJEE Cc1ccc(C(C)C)c(OCCC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 1634564885 GVTOPKIKFJHVRT-HSZRJFAPSA-N 439.987 4.950 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCCC1 1636897966 UZTMAUZEJYZRDD-UHFFFAOYSA-N 438.399 4.987 30 10 IJEE C#Cc1ccc(NC(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)cc1 1637033931 AHXNCVHYUJCIOF-UHFFFAOYSA-N 425.554 4.800 30 10 IJEE C=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)OCC 1640689557 SLGXMUQKHQPIGN-UHFFFAOYSA-N 435.332 4.904 30 10 IJEE C=CCn1c(SCC(=O)c2nccn2C(C)C)nnc1-c1ccc(Br)cc1 1643495164 OWXKKJPHMOVWBE-UHFFFAOYSA-N 446.374 4.646 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(Br)cc(Cl)c2O)cc(OC)c1OC 1650917806 RONBLVVJHSBDQY-UHFFFAOYSA-N 426.694 4.806 30 10 IJEE Cc1cc(N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)n2c(nc3ccccc32)c1C#N 1652054474 ALEJNXIVKZZTNT-AEFFLSMTSA-N 433.556 4.797 30 10 IJEE Cc1ccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nnc2-c2ccccn2)cc1 1652698083 ADRBKOFERZFIRH-HXUWFJFHSA-N 425.517 4.606 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1658493691 WGFFFZUCOPZEGC-OLZOCXBDSA-N 431.370 4.602 30 10 IJEE C#Cc1ccc(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(Cl)c1 1664985192 BXGPARJMLXCMAR-UHFFFAOYSA-N 434.677 4.582 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(CC)(N3CCCCC3)CC2)cc1 1666389404 FOEHVIFQEYLLLI-UHFFFAOYSA-N 438.616 4.763 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1668424579 HGFCPSKHTIEFHP-SFHVURJKSA-N 447.457 4.816 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 1670913429 FQOHCHSWQUORKB-XMMPIXPASA-N 431.577 4.743 30 10 IJEE CN(C)CCOc1ccccc1CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1671433170 BBZYXBVDXVZQQG-UHFFFAOYSA-N 446.576 4.972 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(Cl)c(I)c1 1672496675 MLTMJGGPFLNQLJ-UHFFFAOYSA-N 426.641 4.601 30 10 IJEE N#Cc1ccc(CCNC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1 1673107764 ABTYWIDFKAVUCL-UHFFFAOYSA-N 446.454 4.868 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)c1ccccc1Br 1674452213 HHPJJRRCNXIRRM-GUYCJALGSA-N 434.359 4.556 30 10 IJEE C#CCN(C(=O)NCCCCc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1674593353 PPSSCCVNBZUSRT-OAQYLSRUSA-N 441.369 4.940 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc2ccccc2nc1O 1676861143 KWRIKVGTWPFOOQ-UHFFFAOYSA-N 444.304 4.740 30 10 IJEE COC(=O)c1cc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c(C)cc1Br 1677392033 BNEMQHFWAHSJLQ-SFHVURJKSA-N 442.313 4.615 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3Cc3ccccc3)CC2)nc1 1683928440 ICGPFTWDWTZRGA-ABZZFDDBSA-N 432.568 4.744 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)CCC 1689928619 SKYMXQPQEKIVQR-UXHICEINSA-N 431.625 4.678 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1C1CCCCC1 1690083210 BADUKTIRVGHTNE-XMMPIXPASA-N 449.643 4.731 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1[C@H]2CCC[C@H]12 1690223118 FCLKSSSMPLNHFY-KBPBESRZSA-N 437.769 4.750 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1690230613 LDKOOIMXOMOTIE-AFAVFJNCSA-N 436.423 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC1CCOCC1 1690237813 AYRXPIDNHSEBPP-IRLDBZIGSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(C)s1 1690239719 ZWRXJUVSJITNDB-UGKGYDQZSA-N 438.597 4.941 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccnc(SC)c2)CC1 1690415546 PFBVZQADEXMDDM-UHFFFAOYSA-N 435.597 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnn(C)c1C 1690428668 XUBMGSMFTHEEKB-UHFFFAOYSA-N 445.571 4.881 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)NCCCC)CC1 1690477582 CMGABIRGPYGXMK-UHFFFAOYSA-N 446.599 4.592 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@@H]1C(C)C)C1CC1 1690538144 BLEXNLGFYRDWHI-FXAWDEMLSA-N 445.405 4.924 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1690546550 AVKCXPJGACDAFT-PMACEKPBSA-N 425.596 4.531 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690556107 MXENURRSQHIGRB-VTYHHJSWSA-N 449.599 4.688 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CCc1csc(C)n1 1690556178 OQVLNCPJDNYQSQ-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2C)C1 1690585368 JAXCUGRDHJOUJE-MCEYFSPLSA-N 436.600 4.924 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccn1 1690683780 VCZQRZYWTDBCIV-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2Cc2ccsc2Br)C1 1690692034 PXLQJPVCQXVXEP-QGZVFWFLSA-N 445.386 4.599 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccccc2Cl)N(C)C)C1 1690700608 VHQKNEZQFQQSST-RXVVDRJESA-N 446.039 4.604 30 10 IJEE C[C@@H]1CC(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1693579309 GVFAOJYLBZIVFW-IAGOWNOFSA-N 427.980 4.932 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CCS1 1694502729 HOCMYFLHSARICA-UHFFFAOYSA-N 440.661 4.517 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)s1 1694561958 DLHQYVKIVBLDES-UHFFFAOYSA-N 428.512 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCN(CC(C)C)C1 1705478631 FDFMAPYEFRUDTB-GOTSBHOMSA-N 433.644 4.574 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1705483272 RCGCALLQCXACHR-GVDBMIGSSA-N 445.405 4.678 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1705516243 WTIKBJCBJCGTIX-NHCUHLMSSA-N 428.964 4.555 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)cs1 1705660956 MUUYTEWVQNBQAS-UHFFFAOYSA-N 431.030 4.895 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1705699308 FGWFEWUHNQJKLD-IYERYRBDSA-N 428.552 4.837 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC#N)CC1 1705709335 NMZVIFRYAMZOTE-WIOPSUGQSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1ccnc1C 1705711436 LLHKDUZUUQKAQI-UHFFFAOYSA-N 429.572 4.799 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccco1 1705739444 GUDBXCPFSURCLV-FQEVSTJZSA-N 426.492 4.523 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CC2(SC)CCN(C)CC2)CC1 1705766963 VIDHDERUZIWTJZ-UHFFFAOYSA-N 432.037 4.582 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1705771959 GVNKXMUWUFWYQJ-WMZHIEFXSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2CC(C)(C)C2)CC1 1705772047 LOHBVCQJVYFMHI-IBGZPJMESA-N 429.609 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](OCC)C1 1705788599 GHQQIMAWWYSYLK-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1705803251 KKLOJLOLQJFTHD-UHFFFAOYSA-N 435.616 4.967 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@H](C)C2)C1 1705921380 QYFHQMAPRBPSOT-YQVWRLOYSA-N 430.980 4.825 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nc(C)c(C)s1 1722279315 OKJVYZLJZUURCQ-INIZCTEOSA-N 444.608 4.932 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCc1cc(C(F)(F)F)ccn1 1722280989 YWGYSQFGLNHULJ-CQSZACIVSA-N 433.865 4.713 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1722340840 JZSAZLNMNOKTQQ-IMWIBFENSA-N 427.593 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(Cl)s1 1722390903 GUXXRGZSLPTTGJ-UHFFFAOYSA-N 434.996 4.974 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722406041 JWQSUOVZTWYEKU-IBGZPJMESA-N 445.995 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1(C(=O)N(C)C)CCCC1 1722501315 NXTBAAVRCPOUAM-QFIPXVFZSA-N 437.632 4.871 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1722545787 OMFIJWDBIXTREY-SFHVURJKSA-N 443.891 4.687 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccccc1N1CCOCC1 1722581153 BAEDTJQNZLENIF-FQEVSTJZSA-N 425.621 4.867 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(c2ccncc2)CC1 1722632969 BDSXZSGFBCCQQH-DEOSSOPVSA-N 430.600 4.754 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCCN(C)C(C)C)C1CC1 1722645836 BQVAXEPNVFITLN-UHFFFAOYSA-N 446.437 4.901 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722688233 XAPZJJMBPDIQKX-HXUWFJFHSA-N 437.632 4.651 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccsc2)C1 1722711666 WFYHHGOSSFJUPC-SFHVURJKSA-N 445.386 4.599 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)C1 1727304189 HJLDVBYRKXSOII-QPPBQGQZSA-N 434.613 4.808 30 10 IJEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)C1 1730551761 HRUQQSXTYYZCKM-ZJSXRUAMSA-N 444.583 4.514 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1740536034 YNWBZUSYABBMFV-QPPBQGQZSA-N 442.611 4.712 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC1(N(C)C)CCCCC1 1740675197 JHDFLVHSTRECHJ-UHFFFAOYSA-N 425.646 4.603 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1ccnc(N2CCCCC2)c1 1740675604 FFDBKUFIURGUEK-UHFFFAOYSA-N 446.574 4.614 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1740781332 CCJVWKWSEHSWHM-NRFANRHFSA-N 428.552 4.785 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cccnc2OC)CC1 1740827653 FJLAHWOEQCTFRH-UHFFFAOYSA-N 447.583 4.763 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740858161 KFKLTVQPPCQSER-RLLQIKCJSA-N 446.979 4.606 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1C[C@@H]1C 1740939327 UWOPIPYJWCUKBF-KBPBESRZSA-N 439.785 4.656 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCSC1 1742046556 CRLPTCWTWJFWSH-RDJZCZTQSA-N 438.626 4.869 30 10 IJEE Cc1nn(C)c(C)c1Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CCC(C)C 1742656231 GBEOMZKOULTIQF-UHFFFAOYSA-N 439.995 4.763 30 10 IJEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 1744348620 GFVRRQLTCYISAM-IPMKNSEASA-N 433.478 4.530 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1744886152 CJSFXZXKNWFDFM-JYRKZWEQSA-N 439.629 4.885 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)N(C)C 1747706778 HZXOYUUXKOPSJU-HXUWFJFHSA-N 436.629 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CCCS1 1748650835 FYWVMTDZSQJOSH-SJCJKPOMSA-N 425.421 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCSC1 1748654813 LHUYQLOQJUZLCR-JKSUJKDBSA-N 433.419 4.617 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@@H]1CCCCO1 1748828490 FIRHQVOHPCNYAF-KRWDZBQOSA-N 438.984 4.845 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1748892635 TXIWAJKMKAJKJX-ZCYQVOJMSA-N 445.655 4.630 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H]1OC 1749061029 IQCVXMORNBYDRB-ZWDAVXSWSA-N 443.389 4.515 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CCCO1 1749383721 FNCPEVKMEJILQU-HXUWFJFHSA-N 436.398 4.787 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1749442647 UUEBIQQUQLXVNZ-RDGATRHJSA-N 444.627 4.719 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(CC)CCOCC1 1749474461 VMBFZGZCHJYBPF-UHFFFAOYSA-N 436.556 4.946 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1Cc1ccc(Cl)nc1 1749587238 MMRAIXDPJONMIM-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](SC)C(C)(C)C)C1 1749717476 LJWSEVJMROPZNK-LEWJYISDSA-N 444.645 4.725 30 10 IJEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCSC1 1750733201 IBNUXDPHDGREOX-HXUWFJFHSA-N 439.629 4.539 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760097335 CYVWZCWWSZCULQ-GFTAFNIFSA-N 441.595 4.526 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC2(CCCCC2)C1 1760132979 TXGWUAAHTFOIJS-UHFFFAOYSA-N 439.585 4.913 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1ccccn1 1760147601 VXGPVOCQMRMUDY-UHFFFAOYSA-N 444.764 4.806 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760300124 AENROTMBEAPALV-UXLLHSPISA-N 449.393 4.818 30 10 IJEE C=C(Br)Cn1c(N2CCS[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1760313675 DCLDYKXWQFALFV-MRXNPFEDSA-N 433.419 4.598 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@H](CC)C1 1760370230 KZEMPFIGDXLPCM-GOSISDBHSA-N 434.968 4.500 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1760452080 DHRXLZYCSBDJMP-UHFFFAOYSA-N 447.505 4.722 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@H]1C 1760480585 YYXCECXIDZIIRL-GBXCKJPGSA-N 426.568 4.764 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)CC[C@@H]1C)C(C)C 1760490557 ZRNFXFZKRADLEM-GPJHCHHRSA-N 429.653 4.843 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1760500778 AAHQKJGQLHVXBM-UHFFFAOYSA-N 445.608 4.562 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)C2CCCCC2)C1 1760538152 WKNCSOQJYUIUPG-ZJSXRUAMSA-N 445.007 4.711 30 10 IJEE CC(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C#N)cc1 1858835536 CEUINVCVLKJDKO-UHFFFAOYSA-N 429.480 4.738 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 1858873238 OARQVOMAFKMHDO-UHFFFAOYSA-N 440.927 4.792 30 10 IJEE Cc1nc(-c2ccccc2)cc(N2CCC(C(=O)Nc3sc(C)c(C)c3C#N)CC2)n1 1859740853 CAYBMYWQLGEIPG-UHFFFAOYSA-N 431.565 4.857 30 10 IJEE CC1CCN(c2ccc(NC(=O)C(=O)/C=C/c3ccc(Br)cc3)cc2)CC1 1860725583 UFUUTFATDIWVIK-NYYWCZLTSA-N 427.342 4.906 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCC)c(OCC)c2)cc1OC 1860728187 AUIDRWVIVFHMPG-DHZHZOJOSA-N 427.497 4.502 30 10 IJEE CCCOc1cccc(/C=C/C(=O)C(=O)Nc2ccc(I)cc2C)c1 1860729949 SUKJVPDNFZPTJZ-JXMROGBWSA-N 449.288 4.609 30 10 IJEE CCN(CC)c1ccc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2F)c(C)c1 1860731641 ZRRZLJQOJMGOHR-YRNVUSSQSA-N 433.321 4.964 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C)cc1C(C)(C)C 1862171893 OVOGESCSJGEBAF-DEOSSOPVSA-N 448.607 4.599 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(O)c(OCC)c2)cc1 1862395962 ABHYDYFLZFIXJH-QHCPKHFHSA-N 435.520 4.874 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 1862474725 SOOULPBACLGWQO-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862546829 GWBIBDKSKYPFAG-NYHFZMIOSA-N 434.492 4.850 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862568207 KKKTVTYWWQQRRQ-XMMPIXPASA-N 442.515 4.836 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Cl)c1 1862591908 QQPDXVWASBYCSQ-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)cc2)cc1F 1862636565 JOJSXEXFKTZJCV-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2)cc1F 1862636748 NNCLDKSYZDXDTM-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862655768 PDHJHZFCDOVLLF-JOCHJYFZSA-N 446.459 4.688 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2)cc1 1862688401 XBRLEZDPDUMHHT-DEOSSOPVSA-N 427.500 4.906 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862760712 USRMNTHDQFKODR-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c1 1863073644 FQEGVYOATSGOIN-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc[nH]1 1864909315 NTJPEDKROCYSRT-QFIPXVFZSA-N 447.583 4.680 30 10 IJEE COc1cccc(-c2nc(Nc3ccccc3C#N)cc(N3CCc4nc[nH]c4[C@H]3C)n2)c1 1868510784 GILMJLYPJZWYJB-MRXNPFEDSA-N 437.507 4.614 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccccc2)n(-c2ccc(C)cc2)n1 1870001267 WONRWFRSOLJXPA-UHFFFAOYSA-N 431.540 4.552 30 10 IJEE N#Cc1ccc(COc2cn(CCCO)c(CSc3ccc(Cl)cc3)cc2=O)cc1 1870232898 ODZYEEXZKVVMHR-UHFFFAOYSA-N 440.952 4.627 30 10 IJEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN2CCC(C)CC2)cc1=O 1870416995 YOVXXOKFNOUTKD-UHFFFAOYSA-N 428.621 4.716 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1cccc(C)c1 1871167943 RMDNWUGAASNQJY-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1ccccc1C 1871190205 AXHFXFLIKJUVRN-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871371683 CQKOPJDVQGLBHD-MTJSOVHGSA-N 433.391 4.807 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871428640 MFWMEANVXGGNCP-ZHZULCJRSA-N 430.884 4.613 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)c1OC 1871459874 INQOEQODFIHFMG-HMAPJEAMSA-N 445.471 4.646 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872298077 OLFHNUCQJILHGH-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=CCn1c(C(=O)NCCc2ccc(OC)cc2)cc2c(N(CCC)CCCC)ncnc21 1873594383 ROEQRJFGTCITIQ-UHFFFAOYSA-N 449.599 4.615 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)oc2c1C 1873932106 BBSFKVHOTFSDHS-UHFFFAOYSA-N 437.492 4.563 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1ccc(OC)cc1 1874228702 XSIPQYSTEXMNND-LFVJCYFKSA-N 436.537 4.591 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2cc(C)ccc2O)CC1 1874287690 RVYMWLQFKDGOSC-ZVHZXABRSA-N 444.601 4.903 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 1874450762 JFXUHEFYNSDFRY-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2Cc2cccs2)ccc1OCc1ccccc1 1874560519 BESNEXUMLIIUKG-OEAKJJBVSA-N 436.562 4.689 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(Br)ccc2OCC(N)=O)cc1C(C)C 1874585656 YZYYFUVTDLKXLP-FNORWQNLSA-N 446.341 4.650 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)c1 1874597033 QJXOAAVQFGMTOJ-ZRDIBKRKSA-N 435.451 4.757 30 10 IJEE O=C(/C=C/c1ccc(OCCCO)c(Br)c1)c1ccc(Br)cc1 1874607976 PQQMYKZUFFPSTP-KRXBUXKQSA-N 440.131 4.869 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)c1 1875159151 DXJPUPQTFCZQFD-ONNFQVAWSA-N 436.435 4.967 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](C#N)CC12CC2 1901537259 NYZGIVNIMDLOHR-MHECFPHRSA-N 443.547 4.598 30 10 IJEE CCCC(C#N)(CCC)C(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 1962343510 QDRSWRSCAUQEDS-UHFFFAOYSA-N 433.552 4.751 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3cc(Br)ccc3Cl)CC2)OC1(C)C 1963796459 HEYUOOQIWLVJML-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2020325137 SNDPHQFIPNNSHV-MBSDFSHPSA-N 431.533 4.728 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NC 2028851857 UJVNTXCQXSDQGK-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE N#Cc1ccc(OCC(=O)N2N=C3C(=Cc4ccco4)CCC[C@H]3[C@@H]2c2ccco2)cc1 2040425166 QLFZWAUCSFNVLC-PXDATVDWSA-N 427.460 4.946 30 10 IJEE Cc1nn(Cc2ccccc2)c(Cl)c1C=CC(=O)OCc1cn2ccccc2c1C#N 2042449516 AOLUDBOCRBQUKA-UHFFFAOYSA-N 430.895 4.774 30 10 IJEE C=CCN(CC[C@H](O)Cc1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2047978559 FSBQHUSSMBLAIG-ZDUSSCGKSA-N 436.749 4.958 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2070347056 PHVOFXYXQUNXMI-WMJDNDCMSA-N 435.608 4.874 30 10 IJEE CCCOc1ccc([C@@H](C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080075564 QQYBBWQKRQSIAU-CYBMUJFWSA-N 435.309 4.809 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(NC1CC1)c1ccccc1)Cc1ccccc1 2095877984 SNDQMYCJGAAGCU-LJAQVGFWSA-N 438.619 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2Nc1ccc(C#N)c(Br)c1F 2175897776 DEBSNYKYLPSNQX-JLZZUVOBSA-N 438.341 4.906 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(F)cc2Br)NCC)C1 2183007381 ASYTVAGMGMJGIR-SFHVURJKSA-N 441.385 4.970 30 10 IJEE CC1CCC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)ccc2C#N)CC1 2194371004 XCECASBAYXFZKM-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](O)C#Cc1cccc(Cl)c1 2212454748 MGDGMJQVRIFAIF-FGZHOGPDSA-N 429.944 4.553 30 10 IJEE CN[C@H](C#Cc1cccc(Cl)c1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216982615 SHPDSBAYWINKOV-DHIUTWEWSA-N 442.987 4.780 30 10 IJEE N#Cc1ccc([N+](=O)[O-])cc1Nc1cc(I)ccc1Br 2237600302 APGJKCTZTBCLCG-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CC1(C)OB(c2cnc(NCc3ccccc3OCc3ccccc3)c(F)c2)OC1(C)C 2268997963 LHFMNJMDJJYRBZ-UHFFFAOYSA-N 434.320 4.711 30 10 IJEE CC(C)(C)C#CC=CC[C@H](NN)c1cc(I)ccc1Br 2284075803 HIGYVMBLFJLTAP-HNNXBMFYSA-N 447.158 4.554 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(CC)cc2)cc1 2296114366 ZAIQTVAWLOBDIU-JOCHJYFZSA-N 432.476 4.570 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(=O)O)c2)cc1 2296115856 NMIGIRWMBHLPAF-XMMPIXPASA-N 439.467 4.876 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2296228739 BSGXILJOHOKMDI-RBUKOAKNSA-N 433.390 4.711 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)C=CCCN1C(=O)OC(C)(C)C 2296230632 VNEZVIRKYPMRLR-SIKLNZKXSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2cccc(Br)c2)CC(C(C)(C)C)C1 2296284365 QDJHNTCJIWAQFT-OJCRERRGSA-N 435.406 4.848 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2296298583 LPXRXVYTVHKAPC-VAMGGRTRSA-N 435.406 4.862 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 2304624052 DDEWBBXRVAIKCT-OWHZGTRUSA-N 428.573 4.698 30 10 IJEE C=CCCN(Cc1ccccc1)[C@](C)(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2305403423 NTXRSQSXCRBTFR-BKSPAHHJSA-N 430.589 4.992 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1 2314429650 LMEKOEMNZKHTEK-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C[C@@H](CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317355971 YRTRMOCQGRAHJG-CLVCIHKQSA-N 432.370 4.798 30 10 IJEE Cc1ccc(CCCC(=O)N[C@H]2CCN[C@H](C(=O)C=Cc3ccc(C(C)C)cc3)C2)cc1 2318584867 SDINIBFWLNPNRU-UIOOFZCWSA-N 432.608 4.960 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cc2ccccc2n1C 2321883886 DNWZUAOHSLFHAW-UHFFFAOYSA-N 447.564 4.683 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c1 2321965116 FFKHWSPMINVCQF-UHFFFAOYSA-N 435.501 4.734 30 10 IJEE CCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccc(OCC)cc1 2322193426 PPARRAZDHDFLHA-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)cc1 2322455455 HFZDQEOYBFNDMA-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccccc2)c(C)c1C 2322810101 SUOKEZCNIOIKIB-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE COc1ccc(-c2cc(O)nc(NN=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2323260141 ARXJSPHCKGHQEJ-UHFFFAOYSA-N 426.476 4.883 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 2324345599 IYOXMPGUPLBONT-SFHVURJKSA-N 435.461 4.625 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Cl)c2)c(OC)c1 2324472548 YHVAQKZIHHVHAB-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2325513678 CUQWEALFIXUQCV-UHFFFAOYSA-N 426.542 4.518 30 10 IJEE CCc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCC(=O)OC)cc1 2327763990 DUUALURQNIMWQO-UHFFFAOYSA-N 444.560 4.732 30 10 IJEE O=C(N[C@@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 2328098958 WXOMKTBRRMWWNS-IEBWSBKVSA-N 437.754 4.780 30 10 IJEE CCc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329026174 GUNCYCPXXVPOSH-QFIPXVFZSA-N 447.608 4.739 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2329039385 XVDNXDWSGFBFSX-GOSISDBHSA-N 427.618 4.684 30 10 IJEE COCCc1nnc(SCc2ccccc2C)n1N=Cc1cccc(Br)c1 2331245016 NDTYZCRGORTVBY-UHFFFAOYSA-N 445.386 4.712 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 2331259349 SGXRCGSKXKXMGS-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccc(C)cc1 2331434784 YNIWCLFGTXTVGL-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCc1ccc(-n2nnc(C#N)c2NC(=O)C(=Cc2ccc(OC)cc2)c2ccccc2)cc1 2332190471 QKCCDSJIAOVMQY-UHFFFAOYSA-N 449.514 4.889 30 10 IJEE N#Cc1cc(F)cc(COc2cc(Br)cc(I)c2)c1 2338716004 YLGRLANUCODRGZ-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339464277 WZJCIBHEGZKPAE-KRWDZBQOSA-N 441.352 4.517 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339534139 BHWLWEIKIRNMFX-OALUTQOASA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339535859 JBZAEEVHDYQGPS-GOSISDBHSA-N 443.397 4.784 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1 2365063218 WLAWVKNBOCONQI-QPPBQGQZSA-N 447.432 4.718 30 10 IJEE C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)C1=O 1167515 STEVWDHDXXJPBT-WQRHYEAKSA-N 446.297 4.837 30 10 IJEE CN(/N=C/c1c[nH]c2ccccc12)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl 8680400 NKQCPSVTSXJNLY-KIBLKLHPSA-N 430.270 4.630 30 10 IJEE CCOc1c(Br)cc(/C=N/Nc2cccc(C(=O)O)c2)cc1Br 13342831 XRTKZISNKVMMSE-DJKKODMXSA-N 442.107 4.755 30 10 IJEE CCCC/N=C1\S/C(=C2/C(=O)Nc3ccc(Br)cc32)C(=O)N1CCCC 38180513 JHSCTNSXEANBFQ-FSWXVBSXSA-N 436.375 4.644 30 10 IJEE C=CCc1ccccc1OCCn1c(CCCNC(=O)c2cccnc2)nc2ccccc21 40181452 SQAONMHONMSTQY-UHFFFAOYSA-N 440.547 4.601 30 10 IJEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2C)n[nH]1 59023209 PKLLSFHSFDIKHO-JOUPHKFLSA-N 440.960 4.999 30 10 IJEE COc1cc(/C=C/C(=O)Nc2ccnn2Cc2cccc3ccccc23)ccc1OCC#N 59282360 CSYGCWROBICPNL-ZRDIBKRKSA-N 438.487 4.647 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 65416745 OXAKFPQKGCCRNJ-RUZDIDTESA-N 446.595 4.677 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OCC)c1C 96512472 YJCSYWGUBFWKKI-UHFFFAOYSA-N 431.554 4.731 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 102584762 OOUMLGFZGTUFDQ-FEYWKWKCSA-N 429.472 4.720 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(C)o3)oc12 136460634 WZYXVZNIVCWRTF-NRFANRHFSA-N 444.443 4.516 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921828 KMSIDWPCNVCROS-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccccc1OCc1ccc(Br)cc1 169937037 AAJOWJFIVMUEJU-HXUWFJFHSA-N 445.382 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169983887 AVFKQMTVSXGGDC-SFHVURJKSA-N 442.399 4.717 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccccn2)s1 169997047 QMWDOYQIHCOAJK-SFHVURJKSA-N 439.924 4.900 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccncc1)c1ccc(F)cc1 170026174 XSOPLVGFEZCVPK-LJQANCHMSA-N 431.448 4.613 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)c1 170051736 SEWJGCLMLKYPNO-XMMPIXPASA-N 441.483 4.575 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccccc1OC 170125171 FMPMZVFYUGKTBR-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1C 170161229 AEAOVCMARGWEAJ-NRFANRHFSA-N 430.485 4.720 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccs2)c(C)c1 170166827 YZAMHPNEABXVDF-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)cc1 170174374 XKTDBGUYURRDCQ-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)c1 170187323 GBWMQCBLEBVFAR-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)ccc1Cl 170191004 GIYVVPFVQWCHMR-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170193980 LNVSUNXOWBSWNR-NRFANRHFSA-N 445.862 4.655 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@H]3c3cccnc3)oc12 170194352 PWVAGZCWOKTTJT-NRFANRHFSA-N 432.476 4.747 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)c1 170204516 FNKYHZQBSVPCQP-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)c1 170259094 NHXKFUAZRQEUEX-HSZRJFAPSA-N 429.472 4.964 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1C 170271897 VREDNADSAIHRSS-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303130 QCSZVQQXUDVOJB-LJQANCHMSA-N 438.823 4.933 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(C)o1 170305701 XXRUINIHJHCISX-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE C=CCN(C[C@H](NCCC)c1c(Br)cnn1CCC)C(=O)OC(C)(C)C 407045775 YUVMGGWFZMGYQZ-INIZCTEOSA-N 429.403 4.519 30 10 IJEE N#Cc1ccnc(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)c1 436014775 GLFKJAUFQOGSRB-IBGZPJMESA-N 426.245 4.614 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(Cc2ccccc2C)no1 489611710 BFMZCBZIYOMXNC-UHFFFAOYSA-N 447.564 4.926 30 10 IJEE C[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1nc(-c2ccc(Br)cc2)cs1 504420179 UVSVLOISJFDHCU-ZDUSSCGKSA-N 433.375 4.969 30 10 IJEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 505206293 ZSWCVNODGDKNID-UHFFFAOYSA-N 438.940 4.707 30 10 IJEE CC(C)Cn1ncc2cc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)cnc21 505354903 ANKYGQOKQQWWBX-DEOSSOPVSA-N 439.519 4.661 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508918401 FLJSHJUWOXKQSM-IRXDYDNUSA-N 427.549 4.892 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1)CCCC2 509284813 HYOWYIFHRVESRY-UHFFFAOYSA-N 440.219 4.745 30 10 IJEE C[C@@H](N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1F 512665499 GGVWLZRBZVXJKD-CMJOXMDJSA-N 426.488 4.680 30 10 IJEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC(C)=O 526490428 WVHTUZOIZSYUIC-JOCHJYFZSA-N 446.484 4.611 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1nc([C@H](C)OC)no1 555250073 AKUHZMHRKXKPAW-LBPRGKRZSA-N 437.331 4.555 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670207837 OBIJLGSCFWHPCA-QFIPXVFZSA-N 434.588 4.705 30 10 IJEE CN(C(=O)c1cccc(C(=O)OCc2cc(Cl)ccc2OCC#N)c1)c1ccccc1 735350822 UTFRQJNFDYUIOJ-UHFFFAOYSA-N 434.879 4.876 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 745227193 BAEGXQOTLPXSGW-UKPHBRMFSA-N 430.476 4.644 30 10 IJEE COc1ccc(CNC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1C#N 747072168 YMSRAYCAEUAWFY-UHFFFAOYSA-N 446.557 4.647 30 10 IJEE C[C@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl)c1ccccc1 762439741 HHESPDFNIRFLFP-HNNXBMFYSA-O 436.944 4.767 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1cccc(Br)c1C 791772197 YYEUWIYSROCLBH-GOSISDBHSA-N 427.342 4.772 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1=S 794653861 BEEKKGWJBXLPIH-DOTOQJQBSA-N 426.508 4.718 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 804454535 RQOYYUYFZOIDIW-LJQANCHMSA-N 426.347 4.911 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 808015681 OCPZPLLMNQRTNQ-VQTJNVASSA-N 438.574 4.536 30 10 IJEE CCOc1cc(C=NO)cc(I)c1OCc1ccc(F)cc1Cl 1081492680 RJGLEABXYHBVRE-UHFFFAOYSA-N 449.647 4.870 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CCCN1C(=O)OC(C)(C)C 1126105357 ZGSFJGGZSIBKEU-MZNJEOGPSA-N 432.561 4.535 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 1128330401 JVUTWEXKUNIOQN-INIZCTEOSA-N 429.321 4.880 30 10 IJEE Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C#N)cc2F)c(Br)c1 1128592145 CDDPZNASTLDGBU-KRWDZBQOSA-N 431.305 4.590 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC 1131105881 MYVKUDOELHPMPY-WMZHIEFXSA-N 446.547 4.746 30 10 IJEE C#Cc1ccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1 1137529851 QCNUCDJWXIAYEW-UHFFFAOYSA-N 430.270 4.648 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1Br 1138633146 CNBDKLWSBCFWGK-UHFFFAOYSA-N 447.279 4.684 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 1142548261 DYANDWYFWULYGG-XZOQPEGZSA-N 439.600 4.826 30 10 IJEE C#CCN(C(=O)c1cc2c(s1)CCCCCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1155359552 UXSWPHDXMDRBCQ-UHFFFAOYSA-N 430.614 4.882 30 10 IJEE CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 1167695077 AWZGAPZQSCKFTQ-UHFFFAOYSA-N 436.552 4.967 30 10 IJEE C=CCn1c(SC[C@@H]2CCN(C)C2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1188128182 BEDWUYBHGOQXAK-OAHLLOKOSA-N 429.586 4.802 30 10 IJEE O=C(NC[C@H](CO)c1ccc(F)cc1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 1203660205 DETZZIXDGCJWBE-WBMJQRKESA-N 438.343 4.523 30 10 IJEE C#C[C@@H](NC(=O)N(CCN(CC)CC)Cc1ccccc1)c1ccc(Br)cc1 1230499078 QBWCZYORUKIZHR-JOCHJYFZSA-N 442.401 4.677 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC 1251830855 NIYZTRJJBVGRFV-RMUDUWAUSA-N 434.628 4.819 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Oc2cccc(C)c2)cc1 1264609185 IRBAUXURLUUSHG-UHFFFAOYSA-N 436.533 4.846 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)cc1 1269743983 ANJSHXYEYRVZNX-UHFFFAOYSA-N 439.512 4.619 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1272901444 BASAAWKJUPQJAT-UHFFFAOYSA-N 438.462 4.934 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286317475 PWFAQDONFKCZLD-ZCYQVOJMSA-N 433.644 4.936 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](OCC(C)C)C1 1286338775 HMELATLAFJXHLF-ICSRJNTNSA-N 426.630 4.796 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286345769 YSKXTAQDYDWCTP-OAHLLOKOSA-N 445.354 4.741 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)C(C)C 1286528757 NFPSVRBWZNGMPS-FGZHOGPDSA-N 433.021 4.623 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)c2nccs2)CC1 1286658900 BWFLQPMETUQVTJ-OAHLLOKOSA-N 429.540 4.810 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN(C)[C@@H](C)CC)CC1 1286663730 HZCGOAGUGFSNQR-NRFANRHFSA-N 425.621 4.607 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)c1ccccc1 1286678771 DMFDDJJAVQESDQ-QHCPKHFHSA-N 449.643 4.866 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCc1c[nH]nc1C 1286716666 KFVNIWJIQFWPIA-UHFFFAOYSA-N 429.572 4.639 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)Cc1cccs1 1286717416 XMRNAOYLZDYYJP-CQSZACIVSA-N 434.407 4.609 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(C(F)(F)F)c1 1288506315 GFOFHLCDXJXHJT-CYBMUJFWSA-N 434.853 4.799 30 10 IJEE CCOC(=O)[C@](C)(NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccccc1 1288973285 FLSFGLHZPRCXCJ-AREMUKBSSA-N 428.488 4.867 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cccc3ccccc23)CC1 1293136104 CJIODWYVTRJPOQ-HSZRJFAPSA-N 448.364 4.554 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1294685489 BRNLJCUZAYTPFC-PKOBYXMFSA-N 447.645 4.978 30 10 IJEE C=CC1(CC(=O)Nc2cc(C)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1299309217 KQCFKMRKALWYKC-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1300376827 OTGQXTPLMSOWLV-AABGKKOBSA-N 429.609 4.636 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1ncc(C)s1 1300441783 ZRTHJCTZZSCMNU-HUUCEWRRSA-N 425.627 4.769 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCN1CCC 1300595818 QXCYQCIALXSVGZ-QHCPKHFHSA-N 449.668 4.606 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1CCC(F)(F)CC1 1300613525 JHRHZYRBRIBHPN-UHFFFAOYSA-N 432.515 4.637 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1300830332 FMNUWVULIBZYEV-IVMMDQJWSA-N 425.396 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCCC1(C)C 1300905555 AUKVYYMERBBJGW-VWLOTQADSA-N 442.604 4.696 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC(F)(F)F 1300935198 MXWQSSZNUKMHQB-UHFFFAOYSA-N 433.272 4.681 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1300971459 AGSQUEHFKSMKEQ-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301033360 DPRSDGLZLDBPOL-QHCPKHFHSA-N 427.980 4.831 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1301127907 XOUBZOVVOZBQQE-IRXDYDNUSA-N 430.543 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1301148237 LYCNHNPBJGPZCM-UHFFFAOYSA-N 431.625 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1301150288 QQTKYDIPFTVOBC-IBGZPJMESA-N 448.615 4.667 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccc(Cl)cc1 1301310115 KUAFRNHQZQWVBU-NSISKUIASA-N 432.996 4.940 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1301399470 ODUGPOBMPUUYBY-UKILVPOCSA-N 447.627 4.970 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cc1 1301519027 OWZVGDCEYUFSAF-AREMUKBSSA-N 447.583 4.595 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ncc(CC)s1 1301529824 QPSREOGDLQAGJI-UHFFFAOYSA-N 434.569 4.542 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)c2ccc(C)cc2)C1 1301566482 OLAFJCLTHKFHMC-XMSQKQJNSA-N 437.613 4.527 30 10 IJEE Cc1sc(NC(=O)CN2CCC(C)(c3ccc(Br)cc3)CC2)c(C#N)c1C 1307711827 AIHZQGMMNFUTBB-UHFFFAOYSA-N 446.414 4.991 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)OCC)cc1 1310117729 GNEJIMGNLDXKBC-UHFFFAOYSA-N 435.293 4.985 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc2ccc(Br)cc2nc1Cl 1311025900 GVJXGVNFZCMDQR-UHFFFAOYSA-N 444.716 4.984 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC2CC(F)(F)C2)cc1 1316529388 DEAOKDOAYMWDAK-UHFFFAOYSA-N 425.405 4.641 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccccn3)n2CCc2ccccc2C(F)(F)F)CC1 1316537496 COUZODOUSOYUHT-UHFFFAOYSA-N 440.473 4.732 30 10 IJEE C=CCCOCC(=O)N1C[C@@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 1348959611 YXNUVRYDEVMGNW-FQEVSTJZSA-N 425.510 4.800 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](OC)[C@H](C)CC)c1ccc2c(c1)OCCO2 1351532073 PNWDIVKMLIJJCF-HOYKHHGWSA-N 425.525 4.617 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1352661177 QRWHEXVDKNQBMB-CQSZACIVSA-N 434.936 4.808 30 10 IJEE C#CCN(C(=O)[C@@H](C)CSC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1353636015 VEQVFWGLLVWTLD-SMDDNHRTSA-N 436.293 4.624 30 10 IJEE C=CCC1(C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)CCOCC1 1353949473 MXWUJHKMRRZNQU-UHFFFAOYSA-N 444.325 4.980 30 10 IJEE COc1ccc2c(c1)CN(C(=O)c1cc(C#N)c(SC)nc1O)[C@@H](C1CCCCC1)C2 1354451364 VHVPIDLFRGWUCH-OAQYLSRUSA-N 437.565 4.537 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1OC 1358230849 DUUMPZFHEZUCCX-XYOKQWHBSA-N 426.476 4.850 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C(C)C 1358871897 LUFWMJDFLJQHDN-CMKODMSKSA-N 432.996 4.817 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnn(CC)c1 1358920828 IOPPVKYUVQFZJR-UHFFFAOYSA-N 441.583 4.619 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1358933235 MQYZWEYXSACBPA-AREMUKBSSA-N 447.671 4.959 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(F)cc1 1358972470 FYZAIWZWJNUXRA-UHFFFAOYSA-N 432.568 4.730 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N1CCC(C)CC1 1359004270 PYSUBGDNOLKPNJ-KRWDZBQOSA-N 434.415 4.832 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](F)(C#N)C1 1359050503 SPJIKLUWJMOQTB-FQEVSTJZSA-N 445.976 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCC1(F)CCC1 1359074545 HWTLIIQCVHGCOZ-JOCHJYFZSA-N 428.577 4.853 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1359119954 XTDNYGRAOUHNJM-QHCPKHFHSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(Br)c1 1359188498 OWHWUVHJLLAQSV-QGZVFWFLSA-N 433.394 4.783 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCc1nccs1 1359189802 VWZMBMJSNFYBOX-LJQANCHMSA-N 439.585 4.528 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC1CC(OCC)C1 1359234378 NHXOEXQPPZLCAI-UHFFFAOYSA-N 425.396 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(-n2ccnc2C)nc1 1359267996 ZJRNXKZQLIMDPV-UHFFFAOYSA-N 445.958 4.714 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1c(CC)noc1C 1359275627 ZATKTTKSDSIPIY-QHCPKHFHSA-N 435.572 4.662 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC2(CC2)C1 1359339971 XBNLZNRHAYYFEK-UHFFFAOYSA-N 428.602 4.652 30 10 IJEE Cc1nc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)c(C#N)c(C)c1C 1360053818 BPIMEMSBSPOQRR-UHFFFAOYSA-N 428.521 4.548 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 1435244002 JMHAMAICLFQSSH-XGHQBKJUSA-N 444.984 4.640 30 10 IJEE C=CCc1cc(C(=O)Nc2c(-c3ccccc3)noc2C(=O)OCC)cc(OC)c1OC 1436247839 VPTZGFPVAOYGPM-UHFFFAOYSA-N 436.464 4.516 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1ncc(-c2ccccc2)[nH]1 1442315595 WMTBNLJHDJFEIU-IAGOWNOFSA-N 432.952 4.680 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)C(C)(C)CO2)[C@@H]1CCOc2ccc(Br)cc21 1456444028 GJTPYBBHENETEL-LJQANCHMSA-N 440.337 4.718 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)C(F)(F)F)cc1 1460044556 YPYZFWLKEMHHNL-SIKLNZKXSA-N 429.438 4.875 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 1461527592 CZCPINYVASJTOB-XLIONFOSSA-N 439.021 4.769 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)cc1 1466569286 IEIUMBPBSUWBHW-JOCHJYFZSA-N 446.507 4.554 30 10 IJEE C=CCSc1ccccc1C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1471738478 JAQKGVGAPWTIFM-ZBFHGGJFSA-N 444.519 4.740 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCCc2ccccc21 1478313406 RWXYXFWHSXAEGD-MBSDFSHPSA-N 425.935 4.780 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)C1 1478478788 WIBYIQYPZYGXMJ-DYESRHJHSA-N 426.358 4.573 30 10 IJEE Cc1cccc(CCn2c(-c3ccc(Cl)cc3F)nnc2N(CCC#N)CC2CC2)n1 1492528973 IFFMJNAGVQZDQE-UHFFFAOYSA-N 438.938 4.814 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](CC(C)C)C1 1507596331 GZHBQOGUYRYALH-PMACEKPBSA-N 429.609 4.636 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507787818 KZYBTVLLSSKUEB-IAQYHMDHSA-N 447.274 4.551 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1507800973 ZVTDCPXPWXZVCU-SQJMNOBHSA-N 438.616 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](OC)C(F)(F)F 1507814530 AVWBTNJHTCQKMJ-KRWDZBQOSA-N 430.902 4.892 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1507846850 ZVGWTCMAMGYKAR-JOCHJYFZSA-N 438.597 4.873 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507847437 MUDZSTZWRXLGBZ-GOSISDBHSA-N 447.505 4.722 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507909435 FOAKXSZJJSMABE-KOSHJBKYSA-N 442.629 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(=O)NC)CC1 1507912230 SLZHTYVFQCJRNS-UHFFFAOYSA-N 447.986 4.692 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](SC)C1)c1ccccc1 1507924333 LOXXJPCXZNDTOJ-VSKRKVRLSA-N 426.630 4.864 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@](C)(CC)C1 1507942001 LDICSDGZEDJOKY-GOSISDBHSA-N 425.396 4.741 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC2(F)CCC2)C1 1508132165 RQNBMPVPRJAGSZ-NRFANRHFSA-N 428.552 4.538 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1508166473 AAZSLWPRYOYTQI-DZFGPLHGSA-N 430.593 4.930 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC1CC1)c1ccccc1 1515783089 HLZHKFQWXHQPDO-UHFFFAOYSA-N 429.314 4.541 30 10 IJEE C=C[C@@H](C)NC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1518859381 MYZAGQZQDCNHSJ-HXUWFJFHSA-N 436.577 4.733 30 10 IJEE Cc1cc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)nn1-c1cccc(C#N)c1 1520301668 CFWWKYWPHOBRSN-UHFFFAOYSA-N 436.340 4.925 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1521381278 PWMNDNRDDIREFI-VWLOTQADSA-N 428.573 4.711 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 1525003556 DYVACDQQXHTTFO-UHFFFAOYSA-N 425.532 4.595 30 10 IJEE C#Cc1cccc(CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 1536109829 OLYFENOGWIPUBY-UHFFFAOYSA-N 447.332 4.542 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C(C)(C)C)cc1 1537698020 XFLVSWJMABEOQE-UHFFFAOYSA-N 428.485 4.618 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)CCCN1C(=O)OC(C)(C)C 1538318057 GUVKMZXYQPWBEP-WNSKOXEYSA-N 434.964 4.798 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)c1ccccc1 1539187130 UDVWZIHUPPWMLH-LJAQVGFWSA-N 426.416 4.737 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)C(C)C 1539351985 LWDTZQQIBZCYGZ-UHFFFAOYSA-N 425.577 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCCCCC1 1539539810 ZEIOCSKNIWBEFR-NTKDMRAZSA-N 440.563 4.635 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(C)C)C1 1539607956 REPZXJNGNLECDQ-SFHVURJKSA-N 433.394 4.865 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(C)C1 1539622357 WPXZNVIZGKQLHB-UYAOXDASSA-N 430.499 4.684 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCSCC(C)C)CC1 1539839934 HAAVLJLVKSZEFF-UHFFFAOYSA-N 430.618 4.898 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC=C(COC)CC1 1539917624 FYLRHYLSTVITJX-UHFFFAOYSA-N 433.556 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@]1(OCC)CCOC1 1539931216 IPAWSBAHTJUIFO-DQEYMECFSA-N 428.621 4.859 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cccs2)CC1 1539968416 UIGLJRFZMWCPSQ-UHFFFAOYSA-N 425.577 4.752 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1540006552 DVNXXAQBXYGLEI-DFYVNMARSA-N 443.642 4.535 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2)CC1 1540028294 CHJRECUZKCVYKD-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(C(C)(C)O)c1 1540056878 XTZPRGIPLZINLV-UHFFFAOYSA-N 447.402 4.667 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nnc(CC)s1)C1CC1 1540094571 HMOYOPAJNJDQDG-QGZVFWFLSA-N 438.601 4.652 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@H](C)C1 1540137275 QMMYREIBDWIQSN-IBGZPJMESA-N 425.596 4.998 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1cscc1C 1540179825 AXTDDVGDDQNANU-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc(C2CC2)cs1 1540194580 TWSVMGFPJKBHJA-UHFFFAOYSA-N 429.977 4.620 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 1545362462 XFHWPHOXUFKWST-IBGZPJMESA-N 440.506 4.956 30 10 IJEE C=CCn1c(SCOC(=O)N2CCCC2)nc2scc(-c3ccccc3)c2c1=O 1559330987 YFDJHVLBBZLZRK-UHFFFAOYSA-N 427.551 4.593 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 1559763428 DKFOQCOYGUBQPW-FDDCHVKYSA-N 443.950 4.805 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@H](O)c2ccc(C)cc2)cc1OCC 1560515350 URQUECZKOOYUGU-IERDGZPVSA-N 434.374 4.933 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cccc(CC(=O)OCC)c1 1562928812 XMOVXQMKLNWOEX-UHFFFAOYSA-N 433.302 4.764 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2ccc(Br)c(OCCC3CCCCC3)c2)CC1 1563292314 OKIDZWBJEQLZKS-UHFFFAOYSA-N 449.389 4.790 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1)c1ccccc1 1583037142 KDQYGOPTJYWNPH-JOCHJYFZSA-N 426.582 4.653 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1nn(-c2ccccc2F)cc1Br 1583695956 QRPDYLQERZRODT-INIZCTEOSA-N 428.305 4.691 30 10 IJEE C=CCc1cc(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC 1584089930 WNUCRRLGFHPMIV-UHFFFAOYSA-N 440.477 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCc2cccnc21 1587563183 YRKMJPDOFAZGJI-NLWGTHIKSA-N 433.531 4.530 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)c1nc(C)cs1 1588266140 MAPGMUYVXZFPKL-DOTOQJQBSA-N 427.549 4.585 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccco1 1589110384 UFSWDWLFBXKQDR-UHFFFAOYSA-N 438.597 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@@H](C)C1 1589163952 OUNOFHHIIXQSQZ-GSHUGGBRSA-N 443.389 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2c(F)cc(F)cc2C1 1589547537 URDIBFMUVNWZFS-AOMKIAJQSA-N 430.543 4.689 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC(Cn2cncn2)CC1)c1ccccc1 1594534551 MBWNIRGNKBGYSE-REWPJTCUSA-N 433.604 4.660 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1594544465 KITMOWMBTZHAHO-HSZRJFAPSA-N 430.600 4.558 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@]2(CC=CCC2)C1 1594819686 ILRSHNAOOTVMKH-SANMLTNESA-N 436.600 4.797 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cccnc1OCC 1594858191 XMNTZVHHLQQHBN-MRXNPFEDSA-N 427.936 4.536 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1594913791 OQNAADDAYWAXIA-OFNKIYASSA-N 442.604 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)O 1595142637 TUKNFHPSMACWER-INIZCTEOSA-N 430.549 4.582 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1Cc1cccc(Br)n1 1595234561 UUPKQGKSIHDUQZ-UHFFFAOYSA-N 440.389 4.842 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1596806002 BLEUOBYQROWUGR-KYTVRQNUSA-N 445.615 4.600 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2csc(-c3ccco3)n2)cc1 1613758914 DNWRCNVWMYODMA-MRXNPFEDSA-N 432.553 4.868 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCOc1ccc(C(F)(F)F)cc1 1617198791 RXWLEEOEMIHGJD-INIZCTEOSA-N 426.504 4.681 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCC1CCOCC1 1618178972 BNSGIFRODYTKHS-UHFFFAOYSA-N 435.597 4.764 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)cc1OC 1621458761 NYGTXKGHTHKCKJ-OAHLLOKOSA-N 436.961 4.536 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1621949677 VHJYSORDIFIAMJ-FQEVSTJZSA-N 435.471 4.877 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 1622609375 LKCVBUILTNNLEM-LJQANCHMSA-N 428.604 4.882 30 10 IJEE C=CCC[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)OCC 1624303472 IWEXCTGIRQICPO-INIZCTEOSA-N 425.312 4.595 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1CN1CCCC[C@@H]1C 1625578031 UOTBEVVPUAPDRT-NRFANRHFSA-N 444.579 4.742 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1 1627436557 YOGJJYQEZIIXAH-URAOTHONSA-N 436.499 4.681 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 1629397768 PMXZIYQJOHCHQT-OXQOHEQNSA-N 429.948 4.962 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)c1 1633491371 OFYKXBFEOYABKL-UHFFFAOYSA-N 447.959 4.518 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCc3c(Cl)ccc(Br)c3C2)cc1 1635152525 RWGCNRQXBLAFDD-UHFFFAOYSA-N 435.749 4.935 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CCCCC1 1640769497 HVAKQOCXNULPIL-UHFFFAOYSA-N 442.581 4.895 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1641514996 ARGDOPJKHTVBBC-JOCHJYFZSA-N 427.589 4.576 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br)c1ccccc1 1643574398 IKNRLPAEIIJYGC-OALUTQOASA-N 443.341 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3ccc(C#N)cc3Br)CC2)C1 1653777302 CRBHRJZXFBWPFZ-GOSISDBHSA-N 448.405 4.790 30 10 IJEE C=CCN(CCC#N)CC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 1654550836 CRYUMHJKIDLFNU-UHFFFAOYSA-N 439.563 4.758 30 10 IJEE CC[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 1661200800 GEYIFRVGUAYGOZ-IBGZPJMESA-N 432.446 4.758 30 10 IJEE C=CCOc1c(Br)cc(CNc2nc3cccc(OC)c3[nH]2)cc1OCC 1663189659 XPFJEGLTQXVDJP-UHFFFAOYSA-N 432.318 4.910 30 10 IJEE Cc1cc(Oc2cc(Cl)ccc2CNS(=O)(=O)N(C)[C@H](C)CC#N)ccc1Cl 1665212193 FVXFEEZVDQTAJM-CQSZACIVSA-N 442.368 4.663 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(Cc3cccc(OC)c3)C3CCC(O)CC3)cc21 1673307053 GOZILSQDYSEGSA-UHFFFAOYSA-N 434.540 4.569 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 1676470614 OVUZMQVFRWZMRQ-IZZNHLLZSA-N 429.564 4.688 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1682321131 HSPBDSVHWVQAQU-GOSISDBHSA-N 436.339 4.522 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 1682322523 YNSHBGSUUXJOHO-LJQANCHMSA-N 448.350 4.553 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 1682786680 FXDLVUCFSKXICH-UHFFFAOYSA-N 429.333 4.756 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2(CC(C)C)CC2)c1 1689868679 OEMGSFNQYXXJQS-UHFFFAOYSA-N 445.567 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1cccc(COC(C)(C)C)c1 1690051007 JNNOSJIIKCWRHK-UHFFFAOYSA-N 432.612 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@H](F)C1 1690200355 UPEWGLLKWSNRGY-VWKPWSFCSA-N 431.353 4.838 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690233470 HRBMPYFZYFQTHP-IYBDPMFKSA-N 433.394 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OCC)C1 1690238267 HFNDBOZCJIIDIM-JBACZVJFSA-N 430.980 4.585 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1690289847 ROFKFRHUPVEPRV-UHFFFAOYSA-N 444.627 4.891 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1690366148 RMVQBFQLJQIECK-UHFFFAOYSA-N 428.993 4.952 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H]2C)CC1 1690384481 SNGSHHZHJUTBOZ-WTGUMLROSA-N 429.609 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCO1 1690421196 YKFZDGUWZAQTLC-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690475545 WAQNSVGYESECSK-IBGZPJMESA-N 445.405 4.805 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1690663818 FDQTXJSHXGJYEH-RBBKRZOGSA-N 435.616 4.704 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)C1 1692271301 CFLJXVCQBSHJOO-FYYLOGMGSA-N 434.632 4.810 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCSC(F)(F)F 1692845467 GFSIXWAZNCFWGE-CLCXKQKWSA-N 445.555 4.580 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](OCC)C1 1705654880 WJXFXLQBMZLVJM-IEBWSBKVSA-N 444.670 4.503 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1705660964 MZGQQFDPCKAPCB-RXVVDRJESA-N 449.451 4.564 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccccc1F 1705664829 CGLJXJKXFUTQGK-TZIWHRDSSA-N 444.620 4.729 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705687330 ASZVEVGEGOVPIJ-KFKAGJAMSA-N 445.405 4.801 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCC1CC1 1705697256 KOEPFDFRMKOKRN-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(C)c1 1705700062 OGQREHUJRRJRBM-XUZZJYLKSA-N 447.583 4.583 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705778013 XVLDEONMOPEOOU-FQEVSTJZSA-N 425.964 4.897 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1705782973 NTSBZANIPKIWIZ-UHFFFAOYSA-N 440.592 4.608 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC)CC1)c1ccccc1 1705795603 NQBSXAIHRDGQJL-JOCHJYFZSA-N 444.583 4.912 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705812630 GYSUXNXMADQSSZ-OAHLLOKOSA-N 427.902 4.638 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(Br)cs1 1705822236 XTUMNEUIMGUHBN-UHFFFAOYSA-N 449.422 4.566 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO[C@H]1C(C)C)C1CC1 1705853776 HVJYEGVSONVWEY-HXOBKFHXSA-N 430.543 4.753 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCN1CCC)C1CC1 1705853952 KKMXDLMDSACHNF-LJQANCHMSA-N 429.559 4.566 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1705853981 LFVKTGPRBSSRMI-UHFFFAOYSA-N 431.437 4.625 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccccc1C 1705886219 BNYFLKXIFMXQJM-SFHVURJKSA-N 426.362 4.882 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(C)cccc2C1 1705941293 GJBLXTVZJBNDQC-UHFFFAOYSA-N 425.989 4.784 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1oc(CC)nc1C 1722298270 ATXKXMIAEFBYTF-GOSISDBHSA-N 435.572 4.654 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccsc1 1722376143 LDAMWXQOHFHEGM-UHFFFAOYSA-N 429.574 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CC(F)(F)C1 1722391484 NVUKECQAUDRTRU-MRXNPFEDSA-N 432.902 4.580 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722495927 INNQECPWBQIYEU-ZDWTUXFCSA-N 446.542 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H](C1CC1)N(C)C 1722502635 OWRKFGZGFGVZGE-OAHLLOKOSA-N 438.439 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)c1cccs1 1722515444 RYKRWONFZUBLLK-XMMPIXPASA-N 435.597 4.722 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)C[C@H]1CCCO1 1722524608 GFCLUTBNXZYUMX-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1722533396 QVAXIKHBPHQSSO-UHFFFAOYSA-N 430.618 4.620 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC(F)C1 1722547031 HYPXDCJWFQUIBS-UHFFFAOYSA-N 431.712 4.784 30 10 IJEE C=C(C)Cn1c(N(CC)Cc2ccccc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553246 KFYRDRYQTOIHIV-OYRHEFFESA-N 439.604 4.960 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722644957 VPSHJMOAZRNOKU-YADARESESA-N 443.661 4.712 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1722669831 OFERGLHEXOSITC-IRLDBZIGSA-N 434.613 4.663 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@@H](F)C1 1722673906 JCCVFVIHKLYSEB-ZWKOTPCHSA-N 429.565 4.600 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCO[C@H]2CCCC[C@H]2C)C1 1722718834 VETGITBLNVNPJH-HUVFLSCGSA-N 438.616 4.884 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@@H](SCC)C1 1722735633 QCLWOPNQGLMJFF-HXUWFJFHSA-N 432.659 4.985 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1 1722743266 VOKQBYFNRIETCL-UHFFFAOYSA-N 425.602 4.523 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(C(F)(F)F)n1 1724574077 CKRUYIIAICDLGK-UHFFFAOYSA-N 440.473 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1N(C)CCCC1(C)C 1740542299 SLSNWQAKTNXEHJ-DNVCBOLYSA-N 434.415 4.830 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1740585361 QVKKTHHRJFASIZ-HXUWFJFHSA-N 441.595 4.527 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(SC)CCC1 1740682236 OKUJAZPWPJQUBC-UHFFFAOYSA-N 444.670 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCC(F)(F)F 1740727797 AHYKTBSRPOZIHH-LJQANCHMSA-N 426.870 4.942 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(Br)cs1 1740779403 FNUKUCIFAYTQRT-UHFFFAOYSA-N 448.346 4.890 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](OC)C1 1740852198 JOUMRWLNOYRNHK-GOSISDBHSA-N 430.618 4.797 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@H](C)C1 1740915062 SYAIZABVWYIACM-NHCUHLMSSA-N 444.583 4.553 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(C(F)(F)F)c1 1740938826 MYRLMCFOHQSKHB-UHFFFAOYSA-N 445.489 4.608 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@H](F)C1 1741797713 AMKUZZMZQIXVFB-RDBSUJKOSA-N 438.320 4.723 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC(F)(F)F 1741960857 GIUIPPWIRCXEPB-NWDGAFQWSA-N 440.363 4.898 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1748654471 IORSIXATMLHRJH-QGZVFWFLSA-N 449.555 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C(C)C)N1CCCC1 1748654487 IRXDZKWSNQAAQD-UZLBHIALSA-N 434.415 4.830 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1csc(C)n1 1749143868 NJGDFQQROLDNMW-INIZCTEOSA-N 429.565 4.967 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1749343726 QQDBGMMTYGXSEF-UHFFFAOYSA-N 447.583 4.512 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC#N)CC1)c1ccccc1 1749384619 DXTJWMIPBQGJME-DEOSSOPVSA-N 443.599 4.630 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(OCc2ccccc2F)CC1 1749442305 PQKGQACWLGGXNS-UHFFFAOYSA-N 435.547 4.555 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1coc(-c2cccs2)n1 1749462469 XRHMNEZIRZYRLL-UHFFFAOYSA-N 448.552 4.534 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CC1(OC)CCC(C)CC1 1749531916 NSTFITMZYVVETJ-UHFFFAOYSA-N 433.600 4.890 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C)n1 1749547296 NLJOOGSGCVDMFZ-QHCPKHFHSA-N 435.547 4.798 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1ccsc1 1760105568 FXULDEUTNOSJBO-SFHVURJKSA-N 432.549 4.879 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cc(C(CC)CC)no1 1760164969 GBSIPTIDPPFKOP-UHFFFAOYSA-N 428.540 4.811 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(COC)CCCCC1 1760173120 KBTOIWDFZOLHDK-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1Cc1ccc(C)s1 1760214269 HVDIMUVMJIBLBF-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1760231724 DVJRVTOFBBPVLQ-ICSRJNTNSA-N 442.489 4.884 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)c(OC)c1 1760239130 XLFMUCNPFNLWFR-WIYYLYMNSA-N 445.007 4.561 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Cl)s1 1760276439 FACJHLIDKQXZKE-UHFFFAOYSA-N 438.409 4.711 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@H](C)C1 1760278198 MNVQIFPWJCFZSK-JKSUJKDBSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(CC)(CC)OC 1760290582 JUZCPYJNEXANON-XMMPIXPASA-N 432.572 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1760414391 PJOGEDDXNZFRQG-QFIPXVFZSA-N 431.584 4.869 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1760419416 QNJMGRGAMQRYJM-ZEQKJWHPSA-N 449.599 4.728 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760447040 INCWWLPLWAFBED-MRXNPFEDSA-N 448.409 4.645 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(F)(F)F)c1)C1CC1 1760475239 ZOTQOGWTJNBKPG-UHFFFAOYSA-N 433.503 4.856 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1 1762882823 BSANFHOLAKMWFP-NHCUHLMSSA-N 446.643 4.861 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C)CCCC2)cc1 1766023766 AXNBCAFOIAZUGC-HOYKHHGWSA-N 441.551 4.839 30 10 IJEE CCOC1CC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@@H](SC)C2)C1 1767652173 GEAUFOAPHQSFTA-KITAHSCOSA-N 439.629 4.744 30 10 IJEE O=C(O)c1cccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)c1 1772738535 WKJSTIQLFHGMOS-UGHUNKOPSA-N 444.468 4.922 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cc(Cl)cc(Cl)c1 1862443658 NUKDFLXRULRGAW-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(OCC)c1 1862459865 PFPKYLOGHAXFBE-HXUWFJFHSA-N 433.426 4.881 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 1862474199 LEODQYHWDODXLO-JOCHJYFZSA-N 425.500 4.919 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(=O)OC)cc1 1862549246 LGNJOEOQKSLHRL-HJPURHCSSA-N 447.531 4.729 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862567991 FYBPECFZMWSYJH-XMMPIXPASA-N 442.515 4.836 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(OC)c1 1862584920 KRNGNBDNEXGIMD-GOSISDBHSA-N 436.291 4.696 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1F 1862636648 LENWXAZVGYRMBP-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccccc2Br)cc1F 1862646921 RGJBIKXTNTTXQV-SFHVURJKSA-N 448.288 4.584 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1O 1862677254 BTJAFABTQMZSLE-CMJOXMDJSA-N 447.462 4.879 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(F)c2)cc1 1862688426 WIZAFMYZVAHDEA-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl 1862739262 VBWZPAHHCWRTBL-IBGZPJMESA-N 428.872 4.873 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4cccnc34)C2=O)cc1 1862887079 WHEAVCAMONXXNC-UHFFFAOYSA-N 430.467 4.812 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3F)C2=O)cc1 1862970286 LKXROBMTFCXYEU-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2ccc(Cl)cc2)C1=O 1863173577 BTCUKHCJRSZQPX-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863430560 IVTFQSPFXLTZTE-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2ccc(OCCC)cc2)C1=O 1863683252 FOYPCGIXPIGYBJ-CBKZDSQWSA-N 448.607 4.936 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)nnn2Cc2cccc3ccccc23)cc1 1870108774 XOCULCPBTMIDAS-UHFFFAOYSA-N 439.519 4.711 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CSc1ccccn1 1870313060 PJTBVNHNTRMQBN-UHFFFAOYSA-N 438.549 4.578 30 10 IJEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870808892 FWPDHAQZGWEXPG-UHFFFAOYSA-N 433.527 4.813 30 10 IJEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccccc2CC)cc1=O 1870812971 QMGGYTMCBKFHIW-XMMPIXPASA-N 438.955 4.975 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871345291 DILJILFESBXTIL-MYYYXRDXSA-N 443.499 4.851 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)cc1OC 1871370895 FWHMAMNJIQTUGR-CFRMEGHHSA-N 446.455 4.613 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)c1 1871372008 VASOAICUVKUEIJ-UCQKPKSFSA-N 448.446 4.916 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3ccc(F)cc3)C4=O)CC2)c1 1871397859 UEWMHIDKNQRKTM-XYGWBWBKSA-N 444.506 4.778 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)s1 1871426194 VLLXKSROVHOENL-MCRQTXEHSA-N 449.532 4.821 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871427059 LRILLWAIUPRZHA-MSXFZWOLSA-N 449.503 4.915 30 10 IJEE O=C1/C(=C/c2ccccc2Br)Oc2cc(OCCN3CCCCC3)ccc21 1871451167 HTXRCAZHGLXYPN-STZFKDTASA-N 428.326 4.930 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871878494 GXCFIKGULRKEJL-NRFANRHFSA-N 434.989 4.941 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3CCC[C@H](C)C3)ncnc2n1CCCOC 1873588505 DIGXLYFOWODYJU-FQEVSTJZSA-N 443.636 4.794 30 10 IJEE CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc(Br)c1 1874250483 GWNQWEPAYUSPSR-HYARGMPZSA-N 445.386 4.965 30 10 IJEE CCOc1cc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCC)ccc1O 1874282943 HUHWIWHEHYUTDS-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1ccncc1 1874314529 YVNVADVYXGLLJE-JVWAILMASA-N 447.539 4.781 30 10 IJEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccnc1 1874315660 DMJGXKSRECJWGM-WPWMEQJKSA-N 447.539 4.998 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cc(Cl)ccc1O 1874327917 NMRHMFMSATVDOK-FSJBWODESA-N 428.945 4.993 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)c(O)c1 1874403237 WBJNEIIYRZPERV-PCLIKHOPSA-N 430.533 4.649 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccc(O)c1 1874421408 KYGPONRVMNELMT-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccnc2)c1 1874421811 FQSMGRNCSOWYFL-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE Cn1cc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)c2ccccc21 1874448937 OWGXQVGNKHQUOQ-LWROZRRASA-N 431.565 4.838 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 1874494568 SUWZTNULRGKWRZ-CIAFOILYSA-N 438.469 4.537 30 10 IJEE C=CCSc1nnc(CC)n1/N=C/c1cc(Br)c(OCCC)c(OC)c1 1874526276 VFRXBGYKDMULLP-UDWIEESQSA-N 439.379 4.561 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)cc1 1874710352 XYWJFJZKWYZFNR-QLKAYGNNSA-N 436.435 4.723 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)c1 1875102639 LBOJYCXTPKXWMU-XYOKQWHBSA-N 433.416 4.727 30 10 IJEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875146911 LOYGQBUKJCOEDZ-UKTHLTGXSA-N 444.483 4.901 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@@H](C)C1)n2C 1875196826 DPOSIHRPWBPDKD-OALUTQOASA-N 429.609 4.770 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CCCB2OC(C)(C)C(C)(C)O2)OCc2ccccc2)C1 1880639192 GVIRQFAPTUOJJN-UHFFFAOYSA-N 446.397 4.522 30 10 IJEE C=CCC1(Oc2cc(F)cc(Br)c2N)CCN(C(=O)OC(C)(C)C)CC1 1903060419 USHWEPNBJPXCPW-UHFFFAOYSA-N 429.330 4.895 30 10 IJEE Cc1cc(C#N)ccc1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951403738 VDLOJALVNNIWFT-DEOSSOPVSA-N 426.472 4.921 30 10 IJEE CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(=O)O)C(F)F 1952561576 DLBLNQUXDGSIGD-FXAWDEMLSA-N 449.519 4.958 30 10 IJEE CC1(C)OB(C2[C@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]23)OC1(C)C 1953150579 PVAPTBYCWJGXJI-SFTDATJTSA-N 431.341 4.960 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C1(N(C)C(=O)OC(C)(C)C)CC1 2000206293 VUTBJOUGOZNADU-GOSISDBHSA-N 431.533 4.728 30 10 IJEE C=C1CC(C[C@@H](NCCC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2011044191 SMNMAHTXXAFEQI-ZEQKJWHPSA-N 427.633 4.880 30 10 IJEE C#CC[C@H](CC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2020047594 ORKNJJYXSNKDQM-GJZUVCINSA-N 425.569 4.839 30 10 IJEE CCCCCC#CC[C@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024388581 WLESBRZIRNTTMV-JYFHCDHNSA-N 427.633 4.718 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2111272652 MCRXJQZQEJRXHP-QZTJIDSGSA-N 443.813 4.848 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(C)CCN(c2cc(Br)c(C#N)cc2F)CC1 2118195876 ADLXCKLPHMBXHY-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE C=CCC1(C(=O)NCc2c(C)sc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2124496338 GYIKHIHRERDVTF-UHFFFAOYSA-N 443.407 4.557 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2124519142 GQPIKHUNYFNTCL-IZZQQSIFSA-N 442.365 4.506 30 10 IJEE C=CC[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142284480 CTWHTUAKJVOKJM-LBPRGKRZSA-N 434.115 4.625 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151267791 VZXNBQVBMFVJML-GPOLMCQNSA-N 446.444 4.613 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)C3CC4(CC(OCc5ccccc5)C4)C3)c2)OC1(C)C 2160287226 YHPXGAJTZOAVIS-UHFFFAOYSA-N 447.384 4.700 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C)(C(=O)Nc2ccc(C#N)cc2Br)CC1(C)C 2199605778 KLCQZFPHVNNCKC-FQEVSTJZSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(c3ccc(C#N)cc3Br)C1)C2 2199682982 RQTUBKGEGSFQRH-IERDGZPVSA-N 434.378 4.842 30 10 IJEE O=C(O)C1(CC#Cc2sc(Br)c(Br)c2Br)CC1 2216401558 MYLAJFGWMSVHEF-UHFFFAOYSA-N 442.954 4.642 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)cc1 2255702494 HIEGIPGXDRGQFC-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CC1(C)OB(c2cncc(C(=O)N(Cc3ccccc3)CC3CCCCC3)c2)OC1(C)C 2267267147 IRWRVWUPOOFREJ-UHFFFAOYSA-N 434.389 4.604 30 10 IJEE CN(Cc1ccccc1NC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2267556555 XJKUCMVSHMBFDY-HDICACEKSA-N 444.381 4.864 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(F)cc(Br)c2F)C1 2272731993 GVEIICHUZDWKCN-INIZCTEOSA-N 431.321 4.991 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](N)C#Cc2cccc(Br)c2)cs1 2278724277 AROLFEPWNBRUMJ-SWLSCSKDSA-N 436.375 4.543 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(Br)cc2)C1=O 2293603133 NYAKYPTZYBJDSV-UHFFFAOYSA-N 430.323 4.993 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(N)C#Cc1cccc(Br)c1 2296273845 QYARCYLQBAAVQZ-XMSQKQJNSA-N 435.406 4.801 30 10 IJEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2296700242 PFSCEENUJCNDHW-UHFFFAOYSA-N 448.529 4.835 30 10 IJEE Cc1scc(C(=O)N(Cc2ccccc2)C2CCCC2)c1B1OC(C)(C)C(C)(C)O1 2303622298 XOZZKBDUYZHKIR-UHFFFAOYSA-N 425.403 4.941 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2304626592 VEMUIUXKFXIDRK-CZSZKKDXSA-N 428.573 4.698 30 10 IJEE COc1cccc(COc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2OC)C3=O)c1 2314437657 SCPRZRCINQYPJM-UHFFFAOYSA-N 448.471 4.916 30 10 IJEE CCOc1c(C=Nn2cnnc2SCc2ccc(Br)cc2)cccc1OC 2318571550 NCUIBVWOIAYYBR-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE O=C(C=Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 2318788263 GVDGPUBPXGBCTD-UHFFFAOYSA-N 435.863 4.869 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)C1 2321159493 QHRKULJJXWJWFS-MHECFPHRSA-N 445.560 4.655 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2321856589 FPFHFAKOVLASPG-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)CCc4ccccc4)c3C)C2=O)cc1 2323721439 UWHCBPVRWRKSND-UHFFFAOYSA-N 442.467 4.936 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccnc2)C3=O)c1 2323915193 NKSRKBUEQZLXFG-UHFFFAOYSA-N 429.428 4.623 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cn(C)c2ccccc12 2325551128 SVALKRUIUDYHPJ-UHFFFAOYSA-N 434.525 4.805 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccc(OCC)c1 2326766732 RNUVZEAWINQICU-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE Oc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1O 2329342772 OZYAORSWHRQSBR-UHFFFAOYSA-N 446.532 4.581 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@@H]1CCCO1 2330994467 FAHWEHNFGMXNPO-SFHVURJKSA-N 442.928 4.656 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccco2)c1 2331175868 LAOIUENEMNOJCM-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccncc1 2331431587 ZZJBOOPTLMIWFW-UHFFFAOYSA-N 437.835 4.588 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)c1 2331488792 ZDRNMTCSCQPTNU-UHFFFAOYSA-N 449.580 4.789 30 10 IJEE CCCN(CCN[C@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2338517265 DVBXZCLPQMJVDD-OAQYLSRUSA-N 446.441 4.674 30 10 IJEE N#Cc1ccc(F)cc1COc1cc(Br)cc(I)c1 2338887175 NEYAETNKCJJWPY-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE CC(C)=C(CN1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2340334089 KVSHDDLVJBUDCA-QENXHYHDSA-N 436.449 4.797 30 10 IJEE N#Cc1cc(Cl)nc(OCc2cc(I)ccc2Br)c1 2341531226 QNSZVWJKPMSBDA-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 2343974732 XQFXMNJWXUZCAY-ZDUSSCGKSA-N 437.256 4.876 30 10 IJEE CN(CCCSCc1ccc(C#CCCO)c(Br)c1)C(=O)OC(C)(C)C 2349855740 KOVIZMHNSIIMSX-UHFFFAOYSA-N 442.419 4.673 30 10 IJEE COc1ccc(COc2cc(Br)cc(I)c2)cc1C#N 2364048417 LAPCAFFCEXOHHZ-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE C=CCN1C(=O)/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)SC1=S 6054114 QVANCSIMFNFTSA-UDWIEESQSA-N 435.530 4.985 30 10 IJEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc1O 21238703 VPRMUFKXTKDXHL-KBPBESRZSA-N 432.303 4.712 30 10 IJEE O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1nccs1 21722755 KZCOELMAWXJVJJ-OAQYLSRUSA-N 436.562 4.824 30 10 IJEE C/C(=N\OC(=O)COc1ccc(Br)cc1Br)c1cccs1 33565533 SCVKWBOUUXVJCX-RQZCQDPDSA-N 433.121 4.619 30 10 IJEE CN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 59446347 MMQZGRCMLLBUDK-HNNXBMFYSA-N 442.755 4.919 30 10 IJEE Cc1cc(C)c(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c(C)c1 100512653 WDWREBYNPWMIRY-RWEWTDSWSA-N 427.464 4.739 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2F)/C1=C(/O)c1ccco1 102497181 UFWWXKSLLPAAMM-LYHOESIGSA-N 438.411 4.794 30 10 IJEE CCN1C(=S)N[C@H](c2cccc(OC)c2OCc2ccc(F)cc2)C(C(C)=O)=C1C 169933121 KBCMFDNANCOELT-OAQYLSRUSA-N 428.529 4.527 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 169958556 VUGDMCLTTVWDBH-FQEVSTJZSA-N 425.362 4.592 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1 169984094 MVYYONYZQQDJNT-IBGZPJMESA-N 445.418 4.957 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccccn2)cc1 169990720 LUULRJOTMWZSDB-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170030546 MDBXTQSOIPXJIG-CVDCTZTESA-N 447.487 4.589 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1 170236774 CMVQWJKKQGMTTH-FQEVSTJZSA-N 427.884 4.837 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265866 XQSCREUZYJAASY-PZJWPPBQSA-N 425.912 4.660 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)ccc1OC(C)C 170293023 BWEPIITVUUIYBJ-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(C)o2)cc1C 170306268 IQXIXRXSJVTASW-NRFANRHFSA-N 439.414 4.966 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccc(C)o1 170308423 MBJWBIIMLBHIDP-OAQYLSRUSA-N 441.524 4.509 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1cccs1 170312582 XGHXFEPXYMAPMK-QGZVFWFLSA-N 440.502 4.805 30 10 IJEE N#CCCCOc1cccc(NCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 446640800 ZCFDERTYLDAFFU-AREMUKBSSA-N 425.532 4.955 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 460958348 OGKYAJVHYCRVBY-GBXCKJPGSA-N 446.551 4.889 30 10 IJEE CCOc1ccc(OCc2ccc(-c3nnc(N4CCC(C)(C#N)CC4)n3C)cc2)cc1 508575014 YZCOKYVYFDPMIV-UHFFFAOYSA-N 431.540 4.590 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 508937171 BVOKYLHBDGBXKP-UHFFFAOYSA-N 447.930 4.614 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 549724437 JCSZOAGPLMMDSO-GVAUOCQISA-N 444.579 4.986 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 571210032 URIMERVVFHPQLO-LJQANCHMSA-N 425.540 4.595 30 10 IJEE C=CCN(Cc1ccc(Br)cc1F)S(=O)(=O)c1cc(Cl)ccc1OC 586153687 QSISQNCMHQERTP-UHFFFAOYSA-N 448.741 4.627 30 10 IJEE COc1ccc(OC)c(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)c1 586226679 FTHZYHAXQMZQGN-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc(Cl)c1 586246308 YZMUJHODOSRYJY-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)C[C@@H](C)O1 586681703 GQZBXZGAOMHKNV-GASCZTMLSA-N 440.569 4.811 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nc2sccc2c1=O 613439805 FKMYLCAYECAKCA-CHWSQXEVSA-N 433.986 4.655 30 10 IJEE Cc1ccc(CN(C)C[C@@H]2CCCCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 719950342 NVHJEHLHUSBQBK-VWLOTQADSA-N 448.460 4.781 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(OC(=O)CCCCOc1cccc(C#N)c1)C2 732498475 YXYQQXZACULQET-OALUTQOASA-N 428.529 4.581 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 733196805 IDRKCMXKZMPIFX-JOCHJYFZSA-N 427.529 4.823 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 750691568 NHXONFSOZUFXQD-UZUQRXQVSA-N 441.553 4.642 30 10 IJEE COc1ccc(/C=C(/C)C(=O)OCC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1F 755042538 RSICQGGLRPIVMV-RTYFKUQISA-N 442.512 4.814 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccc2ccccc2c1 761517507 KALQWXKFYPINKH-QHCPKHFHSA-N 429.520 4.636 30 10 IJEE C[C@H](OC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 777215184 HWZQHUYTLZBFBE-OLZOCXBDSA-N 444.940 4.541 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1=S 794662339 RFIQOFLPUSLNIE-ZIAGYGMSSA-N 430.471 4.548 30 10 IJEE CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 797450795 USIKJWUHTVBOSO-AWEZNQCLSA-N 433.339 4.584 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 800630597 BGPUFZNWJLWAFL-QFIPXVFZSA-N 434.561 4.568 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 803520916 VGLVUDHNLNUCPK-IBGZPJMESA-N 439.378 4.866 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 804452245 DEYINIPRUVPJLH-XMMPIXPASA-N 436.511 4.978 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1cn2ccccc2n1 804453590 FWTCPJHHUYNZJF-OAQYLSRUSA-N 425.557 4.991 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(CC[C@H](C)F)C2=O)cc1 814711554 NFRQCASOIXDRQT-UGSOOPFHSA-N 447.557 4.659 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)CCCN1C(=O)OC(C)(C)C 819093281 WCMDTFNPGBVJNA-SBJAYZTMSA-N 441.572 4.732 30 10 IJEE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNc3ccc(Br)cc3)cc2)cc1 1084245788 YYYYMPKFJQOYPC-UHFFFAOYSA-N 445.338 4.971 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 1125155485 HYDZBKHMUCPPST-UHFFFAOYSA-N 430.526 4.613 30 10 IJEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C2)cc1 1125523332 HTODVDNRYMDYGI-NRFANRHFSA-N 440.503 4.545 30 10 IJEE C#Cc1cccc(N(CC)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 1125842263 CRZLFJHXTKMTOZ-UHFFFAOYSA-N 428.517 4.654 30 10 IJEE C#CCN(C(=O)COc1ccccc1C(C)C)[C@@H]1CCOc2ccc(Br)cc21 1126151636 RRZPNQGRHNGXPT-HXUWFJFHSA-N 442.353 4.937 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1126190552 BEVTUOZFCQHWHD-OAQYLSRUSA-N 425.532 4.891 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)CCCN1C(=O)OC(C)(C)C 1127439001 WOPHEVKSBIDZAZ-NRFANRHFSA-N 446.960 4.590 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2cc(OC)c3ccccc3c2)CCCN1C(=O)OC(C)(C)C 1134572936 AJVBNAVNACJPBH-HFJWLAOPSA-N 436.552 4.819 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccoc1 1136439856 PBMFNHMSYRTQCJ-XMMPIXPASA-N 430.504 4.769 30 10 IJEE C=C(C)[C@@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(F)c(F)c1 1169474975 WPMRRHAXLHSGJD-RTBURBONSA-N 426.385 4.876 30 10 IJEE CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1OC(F)F 1185263034 DJUXPOHJIWPVAJ-OAHLLOKOSA-N 434.386 4.608 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 1211734779 SABKSSQQBBEHHH-HXUWFJFHSA-N 449.414 4.833 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1224523355 TZMVEXWCTRKXMP-AZUAARDMSA-N 442.357 4.709 30 10 IJEE C#C[C@H](NC(=O)N(CCc1ccccc1)Cc1cccnc1)c1ccc(Br)cc1 1230499077 QBUVSNYJJBLLBB-QHCPKHFHSA-N 448.364 4.973 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1230566220 QDSIUWUASXYMBA-OAQYLSRUSA-N 427.589 4.724 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(Br)cc2C)CCCN1C(=O)OC(C)(C)C 1265222270 WLQXVXWPPVVZQC-NRFANRHFSA-N 437.378 4.720 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H]1CCO[C@@H](C)C1 1286279107 SPKFQOIINXDCKY-VJANTYMQSA-N 430.980 4.735 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286317466 PWFAQDONFKCZLD-ILBGXUMGSA-N 433.644 4.936 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(Cl)s1 1286527239 FQLBDVVKENXGIY-JOCHJYFZSA-N 442.972 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H](C)c1nccs1 1286528947 QAMVHEFJNAYRMJ-HOYKHHGWSA-N 435.597 4.672 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1cc(OC)nc2ccccc12 1286578975 LOAHDDDKKVWCSE-UHFFFAOYSA-N 448.596 4.641 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C2CCOCC2)C1 1286601781 YMHSYHIDBYGDHW-BJKOFHAPSA-N 438.616 4.666 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286703230 GICTZPUEGNKFRY-UHFFFAOYSA-N 434.506 4.767 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCc1csc(C(C)(C)C)n1 1286720918 XGLFSGQTRCCKEZ-UHFFFAOYSA-N 441.601 4.581 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1286724588 PJZLCVBLVOSZFO-URXFXBBRSA-N 435.641 4.944 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H]1CCCO[C@@H]1C(C)C 1286741451 MXQYTYKSBWJKEH-ILBGXUMGSA-N 435.616 4.992 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1286763384 YKUWNHXERYJYMZ-FGZHOGPDSA-N 445.611 4.703 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1cc(I)cc(C(F)(F)F)c1C)OCC 1288710235 PYAZANLMZPTTOV-CQSZACIVSA-N 441.231 4.928 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OC1CCCC1 1300291689 FEVQMJSIXUMJJB-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@](C)(OC)CC1 1300421935 CIRYJGVQGUXHFU-SANMLTNESA-N 438.616 4.963 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCOC[C@H]1C 1300569174 DUXQLDKQWUVGGV-VWNXMTODSA-N 448.611 4.506 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC(OC(C)(C)C)CC1 1300768707 WKLYXPBZDGVSGQ-UHFFFAOYSA-N 440.657 4.604 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(F)(F)C1 1300898278 WWLFLWJJPMOFES-PXNSSMCTSA-N 434.556 4.705 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1301049632 CBMSMZXJYAJKPP-LEWJYISDSA-N 429.008 4.990 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)nnc1C(C)(C)C 1301060389 FPMYGFAPWAFKRB-GOSISDBHSA-N 445.011 4.675 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1301186894 LHXXATKJUMYXMO-DENIHFKCSA-N 440.588 4.887 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301222435 XFFGSJUDTRJWHE-QTJGBDASSA-N 437.632 4.628 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1301329819 NYPJYIDCSYMQLT-UHFFFAOYSA-N 425.505 4.609 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCc1nnc(C)s1 1301365447 POKMZEPFGMDCEB-UHFFFAOYSA-N 442.639 4.587 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(O)cc1 1301375735 SBMFGDTYJPLQQU-UHFFFAOYSA-N 431.359 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCC[C@H](C)C1 1301379139 BIBMNJUELPUVJE-SFHVURJKSA-N 429.996 4.517 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCc2cccnc21 1301394681 QZSCKRBGBJLGRI-JOCHJYFZSA-N 429.568 4.571 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(F)(F)F)C1 1301566798 QVWYWIYQHITPIS-IBGZPJMESA-N 436.522 4.823 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccco1 1301620088 BXSBFORATZWTLQ-IBGZPJMESA-N 428.533 4.850 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccco1 1301620094 BXSBFORATZWTLQ-LJQANCHMSA-N 428.533 4.850 30 10 IJEE C=C(C)Cn1c(SC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1-c1ccncc1 1307313533 ZBADNTFORRAALX-FUHWJXTLSA-N 429.590 4.702 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)ccc1Br)c1ccc(Br)cc1 1310420691 FZVOZMBPWGUQMH-CQSZACIVSA-N 426.083 4.847 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CC(Cc4cccc(OC(F)(F)F)c4)C3)cc2n1 1311237147 BMEFECZTXQOFJC-UHFFFAOYSA-N 430.430 4.827 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 1313001697 LVPVDUNPEIVUDN-NZQKXSOJSA-N 441.597 4.764 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(CC)s2)cc1OC 1314163907 DNLLIKPEKKYHNA-MRXNPFEDSA-N 439.585 4.763 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCO[C@H](C(C)C)C1)c1ccc2c(c1)OCO2 1347908551 COISVIPYJLNOLK-DVECYGJZSA-N 437.536 4.965 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc(F)cc2Cl)c(C(=O)OCC)c1C 1349734599 QZTFYQDDYQGUNK-UHFFFAOYSA-N 439.892 4.550 30 10 IJEE C=CCN(C(=O)[C@H](C)OCc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352764554 UNPLAYZZMRLEMZ-HNNXBMFYSA-N 441.484 4.982 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1354025425 HEEBLVKBRNPHTB-UHFFFAOYSA-N 431.279 4.916 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cn(CCc2ccccc2)nn1 1354387974 HIHHFTXYMDEDPB-UHFFFAOYSA-N 439.494 4.687 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCC[C@H]1CCC(C)C 1356187441 DIVQRDVQYSFMMT-KRWDZBQOSA-N 437.378 4.916 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1CC1CCC(F)(F)CC1 1359013953 RPERHQGIUMHTLU-UHFFFAOYSA-N 432.515 4.541 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(CCC)CCC 1359050014 CMOPVJQIEVZHEU-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1359052965 WLJOKVKJRXOVNL-RTBURBONSA-N 442.629 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1OC 1359065499 RYAZXXHFMWDSHF-SFGWALBWSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359087808 QRTBMZRKGKGTSM-QZTJIDSGSA-N 431.378 4.617 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)C2CC2)CC1)c1ccccc1 1359194418 VBUKDVMIBDJBKR-REWPJTCUSA-N 435.616 4.600 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC[C@H]1C 1359196281 BDZHFEVIJJFIPQ-UYAOXDASSA-N 426.561 4.529 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCc2ccc(Cl)cc2C1 1359228633 IWUBTWYQZVLBNI-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1cc(C)cc(OC)c1 1359276915 WIARGWYFQRRBMK-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE CCCOc1c(Br)cc(C(=O)Nc2cc(OC)c(C#N)cc2F)cc1OC 1438030021 GRDHJJRZVZXILI-UHFFFAOYSA-N 437.265 4.518 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 1449431361 YVCKCGHNCGAMCA-BQUCVHFLSA-N 428.532 4.787 30 10 IJEE CC1(C)CCC(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)(C(N)=O)CC1 1458066454 GWDNVGNUIUOVDP-UHFFFAOYSA-N 425.916 4.558 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)N(C)c2ccc(C)cc2)nnc1-c1cccc(OC)c1 1458975827 DSQOFVHBHADWHV-OAQYLSRUSA-N 436.581 4.982 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 1461147060 GYBKEDXUHQDOEF-LBPRGKRZSA-N 448.338 4.968 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccccc1 1464383522 RKUDEKIUUVAZEX-INIZCTEOSA-N 429.767 4.873 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1OCCOCC 1464751726 IBFYIKLPNXJFJZ-INIZCTEOSA-N 447.359 4.730 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 1465188370 AUXLHPYOSXMLQU-UHFFFAOYSA-N 427.529 4.602 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1 1465334901 GYAAHTMPQMSHPW-DEOSSOPVSA-N 440.547 4.728 30 10 IJEE CC[C@@H](CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N)Oc1ccccc1C(F)(F)F 1466762127 BTAPEMBGUKZWMM-INIZCTEOSA-N 434.462 4.931 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3c(F)cccc3F)CC2)cc(OC)c1OC 1468362028 PMIUXLKBQPWQCB-UHFFFAOYSA-N 444.522 4.875 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)c1ccc(Br)cc1 1468537224 LGPSQFTZNOOXCF-APWZRJJASA-N 425.330 4.696 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1469468010 ILPOWRQFPQHFCV-XMMPIXPASA-N 443.547 4.722 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc(Cl)cc1F 1469885626 QXTJFNUXHQMZIW-RBUKOAKNSA-N 441.856 4.774 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1)c1ccc(Cl)cc1F 1470664869 AMHFXNREPPFATM-GHTZIAJQSA-N 449.954 4.776 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C2)CCCC1 1470790918 SFSLNXLLULTORE-SFHVURJKSA-N 431.543 4.736 30 10 IJEE C=CCOc1ccc(OS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cc1 1475016735 JNUKFOINGQWJIP-UHFFFAOYSA-N 437.233 4.800 30 10 IJEE Cc1cc([C@H]2CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1Br 1475243620 GFXHXZBVRWYDIH-QGZVFWFLSA-N 439.762 4.808 30 10 IJEE CCOC(=O)C(C)(C)n1cc(NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)cn1 1476606499 GQIZIEDONCJUGC-UHFFFAOYSA-N 449.536 4.848 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCOc4ccc(Br)cc43)cc2n1 1477122220 QYPXXYUJXBLZDJ-QGZVFWFLSA-N 427.302 4.630 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc21 1477135361 WKFIAVSYPJGVKM-LJQANCHMSA-N 429.565 4.625 30 10 IJEE C#CCN(C(=O)NCc1c(C)nn(Cc2ccccc2)c1C)[C@H]1CCCc2ccccc21 1477492680 XZECHAHCJIYAJR-SANMLTNESA-N 426.564 4.771 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 1478895630 GEWCDAJQIGLOPQ-DLBZAZTESA-N 431.241 4.719 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H]2CCC=CO2)c1 1505313645 CAQLWFMOLOJVOU-LJQANCHMSA-N 431.462 4.678 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1507555313 MDRQMGCEEAKRAQ-AZUAARDMSA-N 440.588 4.789 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(O)CCCCC1 1507668725 MBLFQRQXKHEDRX-UHFFFAOYSA-N 448.611 4.528 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1507791546 ZRHJMIXZOSJMFU-QZTJIDSGSA-N 431.378 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCC1 1507803959 HZWUBJHAXJYIBP-JUXOCIIHSA-N 428.552 4.775 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)c2ccco2)CC1 1507878525 BJQCDFCJVABPKU-CJFMBICVSA-N 436.556 4.692 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCCC[C@@H]2C)CC1 1507888973 QXJWMUIZNRYQQN-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1507935434 PHWAWMRFVVIAQU-UHFFFAOYSA-N 446.477 4.729 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1507961167 ZLEVFNXUQOSWIC-UHFFFAOYSA-N 431.584 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCO[C@@H](C)C1 1508008210 LQIRLLQHBQUIDX-SLFFLAALSA-N 430.618 4.631 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](SC)C1 1508104550 LSAVSYAMFDIATQ-NRFANRHFSA-N 449.624 4.984 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1 1509949358 CORDNHMDAIGXMI-IEBWSBKVSA-N 444.624 4.567 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)C1 1529815777 QVOUXKGRXUYPPJ-MRXNPFEDSA-N 442.972 4.757 30 10 IJEE C#CCCCCC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1533664157 JDSPIVNPCZFSLG-UHFFFAOYSA-N 430.548 4.897 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1C#N 1533754067 HPLXHOHHYKYQOY-UHFFFAOYSA-N 438.505 4.555 30 10 IJEE C#C[C@@H](NC(=O)c1csc(Cc2cccc(F)c2)n1)c1ccc(Br)cc1 1535483642 PCKODIADZPPOTQ-QGZVFWFLSA-N 429.314 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCOCCC(C)C 1538976655 NZVPLLQCQVAFKA-SFHVURJKSA-N 437.613 4.898 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC1(CCOC)CCCCC1 1538993741 QSJXWXFRAJBQSF-HXUWFJFHSA-N 431.584 4.938 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 1539036679 RAAFVZBVNOBUDZ-HXUWFJFHSA-N 442.506 4.745 30 10 IJEE C=CC1(CC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)CN(C(=O)OC(C)(C)C)C1 1539148923 LMUWBZIGJYDQHI-UHFFFAOYSA-N 442.537 4.719 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1539318820 YTZWKFXXTFAHLL-UXHICEINSA-N 448.464 4.604 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCSC(C)(C)C1 1539622136 DQRVKZNUJPXPAB-QFBILLFUSA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCNC(=O)OC(C)(C)C 1539659154 LSHPSJFXUCBERK-UHFFFAOYSA-N 433.984 4.916 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1cccc(Cl)c1 1539666221 RFMBLNIHRDUQTJ-QHCPKHFHSA-N 425.964 4.612 30 10 IJEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCC(C(F)(F)F)CC2)CC1 1539853913 GHMMZRANAOZXMI-UHFFFAOYSA-N 436.526 4.665 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(C)ccc1OC(F)F)C1CC1 1540104093 UIYLPENBGFLMRJ-UHFFFAOYSA-N 425.483 4.761 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc3cccc(Br)c23)CC1 1540543864 DRXZTWHRLOFXFH-UHFFFAOYSA-N 438.300 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)C(F)(F)F)C1 1540892681 QCCDQCNPKAOVKD-CQSZACIVSA-N 444.448 4.517 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1540912950 GLAAUTIEEAOLCG-UGKGYDQZSA-N 435.597 4.534 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)CC[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540922607 SWCXXDXCXGAQJC-MKXGPGLRSA-N 449.665 4.593 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCOC2CCCCCC2)cc1C 1542446202 CNDTWPYSEYIRAN-OAQYLSRUSA-N 439.604 4.952 30 10 IJEE COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3SC[C@@H](C)C#N)o2)c1 1559449108 FLQDHNNRBYMUEF-AWEZNQCLSA-N 440.550 4.728 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@@H](C)Cc3cc(F)ccc3[C@H]2C)n(Cc2ccco2)c1C 1559658259 DQFCEDQFKSUJKC-MAUKXSAKSA-N 434.515 4.703 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC(c3ccc(Br)c(C)c3)CC2)cc1 1559772295 SRLNWNICLORRMM-UHFFFAOYSA-N 425.370 4.947 30 10 IJEE C[C@H]1OCC[C@@]12CN(C(=O)Nc1ccc(Sc3ccc(Cl)cc3C#N)cc1)CCO2 1562953251 IBXZOQXIRIJEED-IVZQSRNASA-N 443.956 4.775 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 1585919746 QIPIWPGFPVTWKT-HXUWFJFHSA-N 434.319 4.940 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C(F)(F)F)cc1 1587315285 JPZSGBURAHUQQY-SJORKVTESA-N 443.874 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCO[C@H]1CCCC[C@H]1C 1587575423 VIOPFORTOIWWRU-UWVAXJGDSA-N 445.405 4.761 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(OC)CCC(C)CC1 1588314348 BUKDYNYZDHKXRM-UHFFFAOYSA-N 433.556 4.655 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC=C)Cc1cccs1 1589026451 FSTKPLVSOJQSHE-UHFFFAOYSA-N 430.002 4.614 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1scnc1C 1594472625 GSBGNZAUILGNDM-UHFFFAOYSA-N 441.601 4.966 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC)[C@@H](C)C1 1594573106 OLGYKOUAKZOIFG-RBUKOAKNSA-N 432.012 4.958 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H]2OCCC[C@H]2C1)C(C)C 1595170410 BVJGWISHDYLQLA-VXNXHJTFSA-N 441.664 4.640 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1C[C@@H](C)C[C@H](C)C1 1595200970 XEVSDGUIICUFGG-VXKWHMMOSA-N 446.643 4.983 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1CC1(SC)CCN(C)CC1 1595239750 RKQLTTDSXXZUQH-UHFFFAOYSA-N 439.673 4.608 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2=CCCCC2)C1 1595700023 KBGHZIQKMUHKRH-NRFANRHFSA-N 438.572 4.634 30 10 IJEE CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](C(F)(F)F)C2)CC1 1614423521 HRYKHNLQRDXTFW-MAUKXSAKSA-N 433.478 4.553 30 10 IJEE C=CCOc1ccc(CNc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1Cl 1620961825 BUQVXGDJWLXUHY-UHFFFAOYSA-N 441.380 4.955 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(F)cc1I)c1ccc(Cl)cc1 1623185985 VREIOTAUDOCTJV-CQSZACIVSA-N 428.632 4.580 30 10 IJEE C#C[C@](C)(CC)NC(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1624415192 LLNKSEMBSCUUKS-SHQCIBLASA-N 430.548 4.778 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(Cl)ccc1I 1625277862 NFRWVVXJKBLXBO-UHFFFAOYSA-N 441.696 4.782 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 1625286041 QTOSWVZVXNOHFZ-UHFFFAOYSA-N 427.566 4.700 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccnc(C(=O)OC)c3)cc2)cc1 1627469165 KBMRBNLZJPUWKG-UHFFFAOYSA-N 433.464 4.547 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(Br)ccc1F 1632140899 NCUZEMFGRNWITI-HNNXBMFYSA-N 449.748 4.583 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1636571815 VJSZLYAUPZNOST-ADRVDLLCSA-N 449.954 4.629 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(OC)c(O)cc1Br 1636686275 HEHPWHMRZQVRJM-UHFFFAOYSA-N 445.766 4.776 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 1638626000 ALKRASPHBRICLK-ZUOKHONESA-N 433.455 4.528 30 10 IJEE CSc1ccc([C@@H](CNc2nnc(C)c(C)c2C#N)N2CCc3sccc3C2)cc1 1639283117 ADEQLUBNADMTBJ-OAQYLSRUSA-N 435.622 4.960 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](COC)c1ccc(Cl)cc1 1639602289 CRORKMZDBUXCCH-DLBZAZTESA-N 431.360 4.522 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)c3cc(C)n(Cc4cccs4)c3C)c2c1 1641246260 AVFXCKZIJJXIRM-UHFFFAOYSA-N 431.517 4.905 30 10 IJEE CCOC(=O)c1c(NC(=O)CN2CCC[C@](C)(C#N)C2)sc(Cl)c1-c1ccccc1 1645005360 GUMMXKBDSRZFTB-JOCHJYFZSA-N 445.972 4.809 30 10 IJEE Cc1cccc([C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C(=O)OC(C)(C)C)c1 1655760206 AQMAMEMNXUUVDF-XMMPIXPASA-N 435.568 4.531 30 10 IJEE C#CCN1CCC[C@H](NCc2ccc(OCc3c(F)cccc3Cl)c(OCC)c2)C1 1657988904 RZUGELQOICKVJY-IBGZPJMESA-N 430.951 4.644 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc2cc(Br)cnc12)C(C)C 1661640187 YMPUIYCPQCWBAN-LJQANCHMSA-N 431.378 4.817 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1c(C(F)(F)F)c(C)nn1C 1669739805 DZFGCFFKHFQCTE-UHFFFAOYSA-N 449.246 4.869 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1)c1ccc(Br)cc1 1671240919 UEFPUYXJXBHOSC-IRLDBZIGSA-N 434.337 4.916 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1672542846 VDYXMKCZODKZTG-RTBURBONSA-N 448.405 4.702 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CCOCC1 1680762132 NBNYDCAGOAJLDO-FCHUYYIVSA-N 446.469 4.531 30 10 IJEE C=CCN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(C)C 1681303547 ODBNLVJESFUFSO-TZIWHRDSSA-N 433.568 4.772 30 10 IJEE C#C[C@@H](NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1682366581 GUKSAMNCOSLGGL-GOSISDBHSA-N 429.706 4.664 30 10 IJEE C#Cc1ccc(CNC(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)cc1 1682680279 RCEJYTKOJCTBDT-UHFFFAOYSA-N 441.959 4.558 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)c1ccccc1 1683733793 LAOWBDBPLXSSNJ-GOTSBHOMSA-N 441.597 4.700 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCC[C@@H](C)C1 1689831520 MESXKIAWPABNHJ-PKTZIBPZSA-N 433.644 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOCCC(C)C 1689838286 XERALMFPNPQSAT-SFHVURJKSA-N 447.421 4.927 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1CC 1690091325 POKTUCIRXWKOQG-GOTSBHOMSA-N 431.559 4.869 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1690155222 HWTDAYSGEMEPKT-QZTJIDSGSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1690177191 MTFSMPYMYWRLOD-INIZCTEOSA-N 442.938 4.667 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)Oc1cccc(C)c1 1690268368 HWDZUOOLVUOMCZ-SFHVURJKSA-N 425.602 4.812 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1690402427 BMEFGKHOBGKZSO-JOCHJYFZSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1690417245 KHHRDNALJQMXPL-LJQANCHMSA-N 446.979 4.641 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)CN1CCCC1)C1CC1 1690547112 VMQQOZJANBZVQC-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1CC(C)(C)N1CCCCC1 1690553947 NVKXUKFTLQJLGE-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@H](C)c1c(C)noc1C 1690561175 GNGZFZCWJWQLSN-KRWDZBQOSA-N 430.556 4.703 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(c2cccc(OC)c2)CC1 1690740530 YHJJUYPVKZJVHP-UHFFFAOYSA-N 435.597 4.652 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1 1696536563 APQBZEQLZUMCIM-RTWAWAEBSA-N 441.645 4.990 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nc(C(C)C)cs1 1705480413 RPXMAVWEMWGAQF-KRWDZBQOSA-N 430.581 4.888 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1705654631 OHNCSDQBFWZCRF-APWZRJJASA-N 445.430 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1705703984 XXTNXPUAQPIAHC-QPPBQGQZSA-N 433.600 4.889 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1705717736 QLYGYGQUSKEWII-NRFANRHFSA-N 449.555 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1N(C)CCCC1(C)C 1705719185 OHKNZRXWWITUGA-HSZRJFAPSA-N 434.632 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCC(C)C)CC1 1705779981 ATFPLWRSQBEFJK-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCCN1CCC(C)CC1 1705859083 HCNHAIMWNGZUBF-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@](C)(O)C1CCCCC1 1705864877 BJCODFVLEGRILG-DEOSSOPVSA-N 437.613 4.926 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnn(C)c1 1705870803 YMINYOJXVRNSOA-GOSISDBHSA-N 440.979 4.649 30 10 IJEE CCO[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)C(C)C 1710409270 GLIJNSGEIQTFPM-NRFANRHFSA-N 429.996 4.713 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(Br)cs1 1722319193 LKAMZTGTGSRSJH-QGZVFWFLSA-N 437.407 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)C[C@H](C)CC 1722495386 HGJSAFDIEWRVBW-XQFWAAQXSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722512038 UYYGLASNJAMLKI-WZONZLPQSA-N 431.028 4.906 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCC(C)CC1 1722517766 YMGQEYUGQUTITQ-UHFFFAOYSA-N 432.012 4.645 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC(=O)NC(C)(C)C 1722520464 QKGQXCVGDDGXLR-UHFFFAOYSA-N 441.576 4.740 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1722580723 XWMGVOJKLUSWJL-SIKLNZKXSA-N 443.661 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C)CC1 1722590263 BJWZAGWFZCOTHG-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(F)(F)F 1722624262 YMXWEAYICKDSLQ-CQSZACIVSA-N 428.524 4.723 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1722652015 YNXLYFMPRANAHU-UWJYYQICSA-N 429.634 4.630 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H]2C)cc1 1722706194 QCHZYENHVMRQJZ-HNNXBMFYSA-N 442.361 4.638 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@](C)(O)CCC)C1 1722714239 IWAAQKRIDBKDRN-NTKDMRAZSA-N 444.645 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@](C)(O)C1CCCCC1 1740558546 GISKMBAFMMGQJA-CYFREDJKSA-N 426.630 4.668 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCC(C(F)(F)F)CC1 1740601471 CHTCNWWYGOEFSY-UHFFFAOYSA-N 442.489 4.773 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCC1(C)C 1740650746 LURJLEVEURSOHB-NRFANRHFSA-N 434.584 4.642 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(OC)C1 1740712368 GCKQDCHGXZDDGP-HXUWFJFHSA-N 439.412 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](OC)[C@H](C)CC 1740727405 KGNXJKXLBUFERV-ZDWFVDTJSA-N 432.515 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1csc(COC)n1 1740775165 PEQNJGUQTIWVHK-UHFFFAOYSA-N 431.993 4.576 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1C(F)(F)F 1740791634 NRZYYXGPKAKSEX-UHFFFAOYSA-N 445.489 4.896 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSC(F)(F)F)CC1 1740819078 CMXFMDYBNIXZJL-UHFFFAOYSA-N 434.491 4.745 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1740834656 FMSJQOLEWVPSSZ-OAQYLSRUSA-N 439.604 4.817 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1740879694 LTQFMFLAWSODOD-UHFFFAOYSA-N 437.613 4.515 30 10 IJEE C=CCCCn1c(N(CC2CC2)C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740881948 VFLWYRRCHNWAKD-KDURUIRLSA-N 429.609 4.784 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)CN1CCCC1 1740892670 LDJZVPKNUHPHIN-GOSISDBHSA-N 436.629 4.731 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1CC1CCC(F)(F)CC1 1740913653 GBINHQCUVUJBSC-FQEVSTJZSA-N 446.542 4.809 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@@H](C)CC 1740921287 PLSYABNEFZDGGG-BVZFJXPGSA-N 437.563 4.777 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1CCCCC1 1740933032 CXFAWECJTFNIPI-UHFFFAOYSA-N 432.616 4.793 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@H](C)C1 1740939125 RWGLCTMYCSFIDS-NRFANRHFSA-N 439.648 4.613 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)(F)F)C1 1740974566 NTTJKCXNRGNNII-MRXNPFEDSA-N 441.320 4.534 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(C)C)C1 1744872224 CPFKTLZDNIAEJX-ZEQRLZLVSA-N 434.632 4.954 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCC1 1747708638 GQFILJFOZUGHPV-UHFFFAOYSA-N 441.988 4.863 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1748701121 CYUJUXFSKAWNNQ-PKTZIBPZSA-N 449.643 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)=C(C)C1 1749122416 VSUPINOWZVLIKW-LPHOPBHVSA-N 446.393 4.563 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1749130084 JMABZUJDGKSNOB-RDGATRHJSA-N 437.632 4.694 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1749136603 PMXNZYIKJFISAN-ZHJWVTAZSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CC1(CN2CCOCC2)CCCCC1 1749150606 YRQLYUSUIYCOFH-UHFFFAOYSA-N 437.632 4.630 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CC[C@@H]21 1749269352 QQJSUIPUUABJDN-AEFFLSMTSA-N 436.000 4.524 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)c2nccs2)CC1 1749288108 MHNYFWXNXXIXSA-HNNXBMFYSA-N 431.512 4.963 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1749356961 DHJYJQNKQGEMKB-UHFFFAOYSA-N 428.968 4.579 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1749381679 GVEHWPRJFHARIS-FQEVSTJZSA-N 435.572 4.557 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@H]1C 1749444988 GVMQAKXWNCELCX-SJORKVTESA-N 437.009 4.606 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1749448324 YJFAPCLYRUZIBY-SANMLTNESA-N 438.616 4.842 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2Cl)CC1 1749459624 PBJIDBZPPZLUIO-UHFFFAOYSA-N 444.023 4.584 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H](C)c1nc(C)cs1 1749547314 OCVCOHRNBZANQN-LPHOPBHVSA-N 441.576 4.682 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1Cc1c(C)nn(C)c1C 1749551237 SSQYFXOZVWJGEA-UHFFFAOYSA-N 432.597 4.906 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC=C(C(C)(C)C)CC1 1749657604 CESOEMAIKNDSIA-UHFFFAOYSA-N 448.398 4.737 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC1CCC(OC)CC1 1760101494 QKXOXBDPIXMSKH-ZRZPHAQCSA-N 445.405 4.761 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(N(C)C)CCCC1 1760165623 YEQRUSKXIPOBFK-UHFFFAOYSA-N 428.005 4.757 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C1CCCCC1)N(C)C 1760227894 PBDUOLHIJRYZOT-UGKGYDQZSA-N 441.595 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cscc1C(F)(F)F 1760292226 UMQIXKFXPGAIDD-OAQYLSRUSA-N 441.482 4.937 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760367815 UQXBIHHHVBKCKF-OPAMFIHVSA-N 436.959 4.951 30 10 IJEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1760371624 GEFMVRUBKMMSAK-UHFFFAOYSA-N 429.355 4.827 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(OC)CCCCC2)CC1 1760405682 BXAWUOCIYXZNAN-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1nc(C(F)(F)F)cs1 1760421175 HAQSLCGHIWBDCF-CQSZACIVSA-N 429.512 4.836 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1760437344 ZCHJBWMLUDDHKJ-NRFANRHFSA-N 430.618 4.896 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1760466765 HPGCFQIXTHUOKC-UHFFFAOYSA-N 441.963 4.753 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCCC(F)(F)F 1760479188 HHNCOZCEGLFRKI-UHFFFAOYSA-N 426.446 4.747 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1Cc1cccnc1-n1cccn1 1760484340 WCGBUVJKOIEGCS-SFHVURJKSA-N 433.585 4.675 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760487030 HRVMVMVNJOQXQK-HXUWFJFHSA-N 436.503 4.545 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1OCC[C@H]1C 1760487442 SUGVACYLOSUIHS-IIBYNOLFSA-N 444.551 4.826 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C(C)C)C1 1760512462 JZUFCZFPYCYHJG-QGZVFWFLSA-N 427.401 4.928 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccsc2)CC1 1760862877 ARHCEROBKSJFEE-DEOSSOPVSA-N 435.597 4.669 30 10 IJEE Cc1csc([C@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CC#N)n1 1762213645 AADIUXBDDBGJLP-WBVHZDCISA-N 433.585 4.657 30 10 IJEE CC(C)c1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)cc2/C=N\NC(N)=S)cc1 1857806967 QRQUSPITZFXCNH-RAWMCFOBSA-N 431.487 4.849 30 10 IJEE CCCCCCCOc1cccnc1NC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 1858853652 ACZZVSXNQIOBSA-UHFFFAOYSA-N 443.500 4.648 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(F)c2)cc1 1862390982 PWCXHMGEFILOBI-JOCHJYFZSA-N 425.500 4.783 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc(Cl)c1O 1862438745 PXSCPAGBSQDAST-QGZVFWFLSA-N 436.291 4.694 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)c1 1862447179 KKJPHWVGHWTTCY-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(=O)O)cc1 1862546955 JLUGEIQBSGOXRT-QRQCRPRQSA-N 433.504 4.640 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Cl 1862594545 FUJMGJSOASEPCW-OAQYLSRUSA-N 443.927 4.831 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1c(Cl)cccc1Cl 1862611374 JZKMHTRJPHHJFV-IBGZPJMESA-N 448.302 4.753 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(OC)c1 1862627665 PQSYGUMBNOFFBW-QFIPXVFZSA-N 437.492 4.583 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Cl 1862675358 ITUGRSWNSYQGKM-FQEVSTJZSA-N 431.891 4.873 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1 1862687262 IUQYKELZGOWUEW-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)cc1 1862712399 PZYFQEXQPODQCX-XMMPIXPASA-N 445.515 4.853 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc2ccccc2c1 1862712583 UUSJTTSXURAROZ-QHCPKHFHSA-N 429.472 4.772 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1 1862725989 WOQZJAFZOSWFDK-QHCPKHFHSA-N 449.453 4.593 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862758790 CTXIBPKIMGLLGD-SFHVURJKSA-N 448.397 4.992 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(F)c(Cl)c2)C(=O)N(c2ccccc2C#N)C1=O 1863065546 SZMVKAGOTYOFJV-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(C2CC2)C1=O 1863518894 CITPAJDQPWQCDO-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE N#Cc1cc(Br)c(NC(=O)CCc2nc3ccccc3[nH]2)c(Br)c1 1866212592 FINOTARRRJXEFN-UHFFFAOYSA-N 448.118 4.531 30 10 IJEE CC[C@@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867013746 QHBAJDDGCYRXCO-JYFHCDHNSA-N 433.552 4.764 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CCCc3cccc(Cl)c3)CC2)nc(CC)n1 1869126492 XIIPRECSCCJYRE-UHFFFAOYSA-N 440.035 4.626 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(F)cc2)n(-c2ccccc2Cl)n1 1870004180 YCTGPTSBEIDIBY-SDNWHVSQSA-N 437.906 4.890 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)/C=C/c1ccc(F)cc1 1870141178 DKBYLJUKFQAGJW-FPYGCLRLSA-N 435.768 4.602 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1C 1870146336 NVLDECMLBNMPEU-UHFFFAOYSA-N 437.503 4.749 30 10 IJEE Cc1cccc(C)c1OCC(=O)Nc1c(C#N)nnn1-c1ccc(Nc2ccccc2)cc1 1870159994 DSERJSWSKDILIJ-UHFFFAOYSA-N 438.491 4.517 30 10 IJEE C[C@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccc(F)cc2)C1 1870348094 IXGIOTLHPXHJMJ-FQEVSTJZSA-N 445.538 4.718 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871371146 PKGZRPNDASTKLV-JAIQZWGSSA-N 446.371 4.647 30 10 IJEE Cc1cc(O)c(CN2CCC[C@@H](CO)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871398553 JRQVCMXHJFFSHN-WJHPISCYSA-N 448.346 4.828 30 10 IJEE CCOCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871445849 QKPQLQMAZHZRGI-QRVIBDJDSA-N 449.503 4.544 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871757499 AEIKOZHMDFMIEV-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871760720 TYILRNBWIIWNCW-NRFANRHFSA-N 446.638 4.549 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871795406 WYMYGEQVMFYCFE-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871966260 LORCSSKGAOGCAA-NRFANRHFSA-N 432.561 4.591 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871989854 BUJIITPCSKYIPQ-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 1872131148 PBXGUEBNUKVNAJ-HSZRJFAPSA-N 444.597 4.706 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(OCCCCCC)cc1)S(C)(=O)=O 1872163578 YXBOIYBPHUKLGQ-JOCHJYFZSA-N 438.634 4.837 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)C1CC1 1872457010 SMVUOLOGBGGYGD-HSZRJFAPSA-N 426.582 4.860 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 1872612943 JERIETCALJXROK-OAQYLSRUSA-N 442.691 4.652 30 10 IJEE C=CCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1873086008 QXYPLGWWGPOUOM-UHFFFAOYSA-N 426.491 4.591 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874249925 OROCSZMKPDGPKR-XQNSMLJCSA-N 437.525 4.667 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874265149 YEUKEAUKBYDBJL-CIAFOILYSA-N 429.889 4.579 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(F)cc1 1874368013 KCMDXEWXABICRU-BHGWPJFGSA-N 446.935 4.911 30 10 IJEE CCSc1nnc(CCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874402624 DUIIQQRLYDCEPH-LPYMAVHISA-N 433.350 4.959 30 10 IJEE CCCSc1nnc(CC2CCCCC2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874409006 ANFGFHNIZFQGED-HZHRSRAPSA-N 432.590 4.811 30 10 IJEE COc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 1874445917 OFKCWWDLTUOCRY-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccn2C)c1 1874451858 SBIVHFCGVUJOOY-ZVHZXABRSA-N 436.585 4.504 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(F)c2)cc1C 1874483063 BXAGSORPHAEKDD-DHRITJCHSA-N 439.560 4.945 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1sccc1C 1874489258 IMYMSLLBKSJFHP-WSDLNYQXSA-N 427.599 4.768 30 10 IJEE CCCOc1c(Br)cc(/C=N/n2c(SC)nnc2C(C)C)cc1OC 1874509582 KCFRHDVILHPLSQ-VXLYETTFSA-N 427.368 4.566 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2)nnc1C1CC1 1874516116 HFTFKUQTJFDVPI-MFKUBSTISA-N 449.580 4.866 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 1874522878 PTFHJRLZUGOTOL-AUEPDCJTSA-N 430.892 4.821 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCc2ccccc2Cl)ccc1OC(C)C 1874565980 FFAWIGPHMUZOKC-YDZHTSKRSA-N 430.961 4.683 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 1875101898 GWYNVKXDSGFDFT-ZRDIBKRKSA-N 431.444 4.956 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875122011 DSHQSVMAMZHCCU-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(OCCCC)cc3)cc21 1891468418 HUKUMPHVZMXPPS-UHFFFAOYSA-N 436.552 4.984 30 10 IJEE CC1([C@H]2CSC(=Nc3cc(I)ccc3Br)N2)CC1 2033115321 RJQDFXTUJOOBKF-LLVKDONJSA-N 437.144 4.546 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2c2c(Cl)cccc2Cl)o1 2033813316 NXCZPSOHLNQRNL-CQSZACIVSA-N 436.276 4.529 30 10 IJEE N#Cc1c(Br)cccc1N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2044065711 GRSPTRUSFBLBKK-TYCQWZJGSA-N 440.341 4.922 30 10 IJEE N#Cc1ccc(Nc2ncc(I)cc2Br)c(Cl)c1 2069529672 RSEHWTOOFNNHKM-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)cc3Br)c(C(F)F)nn2c1N 2081473968 CIYUZIKODAESKW-UHFFFAOYSA-N 432.150 4.569 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2081876275 KYPLPVJGSADKME-HXOBKFHXSA-N 449.523 4.532 30 10 IJEE CC(C)CN(c1cc(Br)c(C#N)cc1F)C1CN(C(=O)OC(C)(C)C)C1 2118149663 UIDUDOXTWUIMON-UHFFFAOYSA-N 426.330 4.542 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c2nsnc12 2137387087 NVYFIYBLBIMLIO-UONOGXRCSA-N 441.395 4.574 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 2159124130 GGRHZDKESNESGP-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE C[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)[C@H]1CCNC(=O)OC(C)(C)C 2174764973 GDAURMZXXIPJOB-GUYCJALGSA-N 440.357 4.980 30 10 IJEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1c1ccc(C#N)c(Br)c1F 2174814764 LFUQGFZOTJTDSH-QLFBSQMISA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1ccc(Br)cc1C#N)C1CCCC1 2204188633 XEWHMHVRZQLCBT-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE C=C([C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221677726 MRALNGPUACAYQN-SJORKVTESA-N 427.459 4.646 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@@H](N)C#Cc1ccccc1Br 2235733879 PCAAUQZHEATMRJ-OALUTQOASA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)C(=O)C#Cc1cccc(Br)c1 2278743426 GIPBRMDFLBBYJG-MRXNPFEDSA-N 440.403 4.795 30 10 IJEE C=C([C@H](OCCC(=O)O)c1cc(Br)c(Br)o1)[Si](C)(C)C 2290984001 JXQRLNMZVPAGGL-LBPRGKRZSA-N 426.177 4.771 30 10 IJEE CC[C@](NC(=O)OC(C)(C)C)([C@@H](C#Cc1cccc(Br)c1)NC)C(F)(F)F 2296219520 PEFPKJVVHNKFHI-QAPCUYQASA-N 449.311 4.624 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2296300061 CJZWHGAPQPQBOF-YSIASYRMSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@@H](N)C#Cc2ccc(Br)cc2)C1 2296305225 QSGFOPBLJALHBE-JLMWRMLUSA-N 433.390 4.555 30 10 IJEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)c1OC 2296984286 VTTBXPYVNMIJGU-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4cccs4)[C@H]3c3ccccc3)sc2c1 2297062198 WJKBRXZPOGJMOR-LJQANCHMSA-N 448.525 4.993 30 10 IJEE O=C(O)CCOc1cccc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)c1 2314932403 VPOSQUAMMXGMAL-UHFFFAOYSA-N 437.304 4.739 30 10 IJEE C[C@H]1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317358194 JBYKBPOUIWCYIX-BJICUUOASA-N 430.354 4.503 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1ccc(C(F)(F)F)cc1 2321088444 GXVPBKZSXIOTDP-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OCC(C)C)c1 2322371352 ASSGMRPCGIZSCE-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OC)c(OC)c2)cc1OCCC 2323752210 IVEQBRTUSNJPKU-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE COC(=O)c1sc(NN=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)nc1C 2323874494 VCYQNAPVAMSLFJ-UHFFFAOYSA-N 425.510 4.580 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O)Nc1ccc2c(c1)OCO2 2325176984 YEYJBGNWKMPRHS-UHFFFAOYSA-N 449.846 4.702 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(C)c3C)ccc2C1=O 2325737845 XPYJCNYWGSBMAG-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc1Br 2326426932 NAOWZPDZLWTDQA-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C=Cc1ccccc1Cl 2326881222 DHTSMBRFYPKCAC-UHFFFAOYSA-N 437.952 4.743 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2328075348 LLVKCLIXKWILFC-UHFFFAOYSA-N 440.956 4.648 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(OC)c1OCC 2329763906 RNMKGZXVLJRMNV-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE COc1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 2330961553 OFKCWWDLTUOCRY-IBGZPJMESA-N 428.945 4.966 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(O)c2)c1 2331042536 JWSWPCRZIIAEII-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccs2)c(C)c1 2331473811 FGIZJDKPMLIFMX-UHFFFAOYSA-N 427.599 4.768 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574460 IGRBLHHYFFJKLB-XZQKKESVSA-N 444.381 4.798 30 10 IJEE CC(C)CN(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339581977 OBBZSWGDIJWANB-OUKQBFOZSA-N 446.397 4.998 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339590196 JTYKXNPABJNATI-KOSHJBKYSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@H](N)C#Cc1cccc(Br)c1 2363395091 YPPZUHRSIWHBHP-MOPGFXCFSA-N 435.406 4.944 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)CCC2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2369729129 YVFXDQKNMKLRIR-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE Cc1cc(CN(C)C[C@H]2CCCCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369729655 PNNZITGYRFYZEW-RUZDIDTESA-N 448.460 4.781 30 10 IJEE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@]34O[C@@H]4C[C@@]21C 5758835 HJWIFUYWCCWKOA-QGRYAOFKSA-N 432.645 4.606 30 10 IJEE Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4C#N)c(=O)c23)cc1C 24899807 KZPDCVMKRPMYHB-UHFFFAOYSA-N 428.517 4.642 30 10 IJEE Cc1cc(C)n(-c2ccc(S[C@@H](C)C(=O)/C=C3\N(C)c4ccccc4C3(C)C)nn2)n1 36033950 SDVBOZYYEAJCAD-XESZTULISA-N 433.581 4.640 30 10 IJEE COc1ccc([C@@](C#N)(CCCN2CCN(Cc3ccccc3)CC2)C(C)C)cc1OC 38907319 PZRMDDIKFADIAW-HHHXNRCGSA-N 435.612 4.719 30 10 IJEE N#Cc1cc(-c2ccccc2)sc1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 40947431 YBIDZDSQGAWLRW-UHFFFAOYSA-N 442.496 4.899 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(OC)c(Cl)c1 100195129 KLGIQQPGKWCJCS-GOTYSUTNSA-N 431.945 4.637 30 10 IJEE COc1ccc([C@@H]2/C(=C(O)\C=C\c3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1OC 103117378 JKFDOINLEPFGLP-VVENLHOYSA-N 441.483 4.886 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(O)c(Br)c2)C1=O 103771531 KGOHBNIEKZBZLI-LFIBNONCSA-N 446.322 4.698 30 10 IJEE O=c1[nH]c(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)nnc1-c1ccccc1 169898612 ZKTRQZUSPNHRFS-AFUMVMLFSA-N 431.883 4.510 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922087 BIRNJUZBOLGDAR-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1OC 169940185 BZAAHTCILNXVNZ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccccc1 170048627 LSIYPLWEZZFHQD-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(C(C)C)cc1 170067271 DWRNZSCPPDNJMX-XMMPIXPASA-N 442.515 4.992 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccco2)s1 170096924 GTVJYDWLBOCXDV-GOSISDBHSA-N 442.924 4.827 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170118653 SLNOMRMFBHHFKS-LADGPHEKSA-N 443.499 4.606 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)ccc1OC(C)C 170162197 FXRHUDCQQPKYFY-DYESRHJHSA-N 441.549 4.601 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1cccs1 170164094 YOMYQYNKCNUASZ-FQEVSTJZSA-N 443.565 4.669 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)c1 170167959 WVEGEYVNBHLQMJ-NRFANRHFSA-N 434.517 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)cc1C 170170288 PKDBMEOUQUCQNV-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccn1 170181931 MBZXIVFESVTSEQ-QFIPXVFZSA-N 434.536 4.909 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccnc2)c1 170184370 MTNNLOQYFNHUGD-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1C 170231057 YVWRNHPWQSMNLQ-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170241398 ZGJJOQKVCDCKBX-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2F)c1 170248587 FLOWOIFRJMPBET-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1C1CCCCC1 170317510 GPWXNIZWLSBFDK-SFHVURJKSA-N 426.494 4.876 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1 170393161 MPSILRNNXWFRQO-QFIPXVFZSA-N 430.460 4.583 30 10 IJEE CC(C)(C)c1csc(N2N=C(c3ccc([N+](=O)[O-])cc3)C(=NNc3ccccc3)C2=O)n1 252460023 AZLVXEGOHGIYKZ-UHFFFAOYSA-N 448.508 4.568 30 10 IJEE CCCNC(=O)c1c(N=Cc2ccc(COc3ccc(Cl)cc3Cl)o2)cnn1C 254745472 VXSHLKKERQQKSO-UHFFFAOYSA-N 435.311 4.789 30 10 IJEE N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1Br 312304756 VLHGVVAZNNDOGG-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 460384808 DGDIBSWPDPKBSW-URXFXBBRSA-N 446.551 4.889 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1 475552432 MQPHRRAYNZYKJM-UHFFFAOYSA-N 444.597 4.875 30 10 IJEE Cc1ccn2cc(CNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)nc2c1 481710312 GYWVSWREWSADHN-UHFFFAOYSA-N 429.455 4.554 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508862665 HHVDCXGZAMHPKM-QFIPXVFZSA-N 439.991 4.803 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 508901857 HOWACMQHHDPHBF-MNAPGUCWSA-N 436.581 4.737 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 508948068 ZBXYASFCWKFXFW-GOUWZUTHSA-N 430.552 4.676 30 10 IJEE Cc1cc(Br)cc(C)c1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 509798030 IBSAPCLTFISEDT-UHFFFAOYSA-N 444.348 4.610 30 10 IJEE CN1CCC[C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)[C@H]1c1cccs1 525040436 FYHOBJQWFYLVGN-GCJKJVERSA-N 435.549 4.605 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cc(Cl)ccc1F 549641362 NMKUOIPTHYBOOC-UHFFFAOYSA-N 438.894 4.599 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N(Cc1cccs1)C1Cc2ccccc2C1 557161423 ZBQCWAUVRARCAK-UHFFFAOYSA-N 443.572 4.925 30 10 IJEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccc(CC)o1 571007178 AJUZKSSGPQQVBP-SFHVURJKSA-N 438.528 4.654 30 10 IJEE CC(C)(C)c1csc(NC(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)c1C#N 586634514 SUBLPTRAVATVPV-UHFFFAOYSA-N 433.537 4.886 30 10 IJEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1C[C@@H]1c1ccc(F)cc1 728973614 FCXKQEVQXXTIOX-RYRKJORJSA-N 435.339 4.514 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1cnn2ccccc12 729662857 YQKGEJFYIXLGTH-VWLOTQADSA-N 436.515 4.910 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cccc(OC2CCCC2)c1 731260535 DRDVBWJBWVCVJW-GOSISDBHSA-N 436.508 4.509 30 10 IJEE Cn1cc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 777467716 MUCQMOJSMJBTCM-JYRVWZFOSA-N 428.370 4.622 30 10 IJEE COc1ccc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)c(Br)c1O 777468278 QNUZLAMZNFASPD-UXBLZVDNSA-N 428.204 4.790 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)c(Cl)c1 799214006 CVQNKURVBFMYTK-MRXNPFEDSA-N 441.862 4.738 30 10 IJEE COc1cc(C=NN=CC2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)cc(OC)c1 886012624 YXESWTHQLXDHCY-BADSHMOZSA-N 431.536 4.572 30 10 IJEE Nn1c(NN=Cc2ccc(Cl)cc2Cl)nnc1SCc1ccc(Cl)cc1 1084087009 AUDTVTAWMBXZPQ-UHFFFAOYSA-N 427.748 4.690 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 1084504188 UOJIZRZFKNQZGE-FYJGNVAPSA-N 448.475 4.995 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cncc(CC)c1)c1ccc2c(c1)OCCO2 1124425794 GZTGGLMFPGZSCP-UHFFFAOYSA-N 430.504 4.827 30 10 IJEE Cc1c(C#N)cccc1NC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 1126996528 CXGJOBMEDKLRDR-UHFFFAOYSA-N 431.305 4.746 30 10 IJEE Cc1nc(SCC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c(C#N)c(C)c1C 1127370394 AFVVQCUYXKSUFT-UHFFFAOYSA-N 445.470 4.814 30 10 IJEE C=C[C@@H](CC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1)c1ccccc1 1129497401 IEKOTACQNZCDQK-NRFANRHFSA-N 438.015 4.813 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2NC(=O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1135229141 KNCYEHZCRNRUBI-UHFFFAOYSA-N 435.524 4.691 30 10 IJEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(SC3CCCCC3)cc2C)c1 1136471606 BYBVLAVJFJCVDD-UHFFFAOYSA-N 442.606 4.584 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(OC)ccc1Br 1136571154 GBWWIJJJKBQFJD-OAHLLOKOSA-N 427.339 4.646 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)C[C@@H](C)C2)C(=O)OC 1141995201 KWMYJABJXVIAIN-MAXLNIOMSA-N 438.527 4.652 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@@H](C)C3 1188455662 SYUZDXJFSJIEOH-AUUYWEPGSA-N 442.606 4.610 30 10 IJEE N#Cc1cc(NC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)ccc1Oc1ccccc1 1203838806 HRQDHABGJCGUPG-HXUWFJFHSA-N 425.847 4.998 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1229990380 UODOFKKGCZDIHN-LJQANCHMSA-N 439.357 4.621 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 1234235249 FABDBSOOESMQHN-IHRKKFBRSA-N 429.605 4.903 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2)c1 1265068696 BLZPRUAKDFJQJV-UHFFFAOYSA-N 428.416 4.599 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H]1CCSC1 1286317022 IKLFRVNPESZZLL-IBGZPJMESA-N 436.581 4.862 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H](C)c1nc(C)cs1 1286452390 HKYCHPIRDLRRQH-INIZCTEOSA-N 441.626 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC1(C)C 1286552695 NMDDAYQVAGZRKB-WFXMLNOXSA-N 428.552 4.917 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1286650990 OBNFHNHKIMFMQN-LNRXMEIDSA-N 430.637 4.948 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OCC(F)F)CC1 1286656173 WPJGFFGTEZKUTO-UHFFFAOYSA-N 439.510 4.743 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)CCC)CC1 1286684456 IBPHGKCFEDZSOX-UHFFFAOYSA-N 429.996 4.840 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccco1 1286708380 PENFPJJCHGXRNW-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE CC(C)(C)c1csc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(F)(F)C2)n1 1286993240 HSZKMTSRLBALGG-UHFFFAOYSA-N 442.539 4.659 30 10 IJEE C=CC1(CC(=O)Nc2cccc(NC(=O)OCC(C)C)c2)CN(C(=O)OC(C)(C)C)C1 1292080101 NJZQNWLJAAATIW-UHFFFAOYSA-N 431.533 4.643 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CCCCC1 1300476112 GCKDTURINCPEOB-JOCHJYFZSA-N 433.021 4.625 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1N(C)CCCC1(C)C 1300602173 OTEYFZNEMVHFAE-GHTZIAJQSA-N 444.023 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(O)(CC)CC 1300797595 FSAAQURBJBNODH-RUZDIDTESA-N 438.616 4.913 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C)[C@H](C)C1 1300843398 AUXKYMBFBPSHFG-LSDHHAIUSA-N 442.361 4.991 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1 1301267686 HBWYGEMJVZNFJW-HDICACEKSA-N 431.602 4.656 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@H](C1CCCCC1)N(C)C 1301339138 HSVHIZORFGSICF-DEOSSOPVSA-N 432.616 4.730 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCS[C@@H](CC)C1 1301530965 BZKNOPZIBJWKJC-NRFANRHFSA-N 426.630 4.956 30 10 IJEE CC(C)C(C)(C)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1302476989 HOQYEMQSPIIORR-UHFFFAOYSA-N 426.996 4.689 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](CC(C)C)c2ccccc2OCC(C)C)c1 1307617414 ROVSNUWHFQYGMP-QHCPKHFHSA-N 435.568 4.728 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CC1 1311693621 BIFKUEPWGVUMNM-UHFFFAOYSA-N 428.989 4.617 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)ccc1Oc1ccc(C(F)(F)F)cc1 1339587980 ANZSRXHRSXACDQ-ZWKOTPCHSA-N 430.382 4.975 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cc1ccc(OCc2ccccc2)cc1 1351080742 RFHJTWYCQQZJPY-UHFFFAOYSA-N 446.499 4.937 30 10 IJEE C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 1355820830 GJKWLMVAZBHJQS-LJQANCHMSA-N 430.552 4.959 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnn(CC(C)C)c1C 1359001036 KKROOLSZQZOLLO-JOCHJYFZSA-N 448.615 4.704 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1cc(Cl)ccn1 1359049888 YDQIKCHIJTWSRK-NRFANRHFSA-N 440.016 4.871 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 1359139828 FYMBPALVIQAQHV-LJQANCHMSA-N 449.624 4.855 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCOC2)C1 1359155625 FEAUORHWASOTBD-IBGZPJMESA-N 443.762 4.533 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2CC2(N3CCSCC3)CCCCC2)CC1 1359173334 CRWNBAFNROQTSF-HXUWFJFHSA-N 431.694 4.946 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1359199484 XMWDAWGAIBBVTF-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF 1359257181 BWGDUIYUJWXYMB-MAUKXSAKSA-N 430.325 4.759 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1CCC(C)(F)F 1359261369 GHBUWMGEDSLCIX-UHFFFAOYSA-N 432.494 4.517 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(CC)noc1C 1359262286 NYFAFAXLBPAXDL-UHFFFAOYSA-N 444.564 4.978 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N(CC)CCOc1ccc(Br)cc1 1361223152 FDWBDBPLDOEZSG-UHFFFAOYSA-N 434.330 4.564 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)n1 1436121652 SWONSDJDTXYYNW-QFIPXVFZSA-N 442.346 4.992 30 10 IJEE C#C[C@H](NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)c1ccc(Br)cc1 1450268843 DKWMZECZUNUTMR-INIZCTEOSA-N 434.374 4.634 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 1453936648 SASLBCKSVJCSBL-ZWKOTPCHSA-N 437.378 4.972 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c1 1456033723 FJHSRVZOULEWKX-UHFFFAOYSA-N 430.460 4.830 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1 1458132772 FJGKBMSUDDNVPG-XXBNENTESA-N 426.582 4.545 30 10 IJEE CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1sc3c(c1C#N)CC[C@@H](C)C3)C2 1459789198 GZSMZAIMKXTSAS-QGZVFWFLSA-N 437.609 4.920 30 10 IJEE CC(C)[C@@](C)(N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 1459948035 DXRXJVNPBUOXKK-JTHBVZDNSA-N 440.385 4.977 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)cc1 1465628553 NPPMSIPKRZLJCK-OAQYLSRUSA-N 433.474 4.922 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1c1ccc(OC)cn1 1466817168 WSFDOWPPERLTLL-GOSISDBHSA-N 432.318 4.787 30 10 IJEE CCCOc1ccc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c(OC(F)F)c1 1469242391 DRMTXIACRYRBET-FQEVSTJZSA-N 429.467 4.825 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 1470785664 BYWNFDZFDPYPPV-ICSRJNTNSA-N 425.598 4.812 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 1471717010 YGULITRICJCBOC-CQSZACIVSA-N 435.874 4.620 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1472275711 RQRNPEXEZKNGFC-JJCDCTGGSA-N 434.602 4.899 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)nc2cc(Cl)ccc2c1=O 1472638073 AZLLVOHUXXYCIW-UHFFFAOYSA-N 439.827 4.897 30 10 IJEE Cn1cc(CNCc2c(Br)c3ccccc3n2C)c(-c2ccc(C#N)cc2)n1 1474108817 HNFNCZUROWKKKQ-UHFFFAOYSA-N 434.341 4.503 30 10 IJEE Cc1cc(C)cc(Oc2ccc(NC(=O)N3CCN(c4cnccc4C#N)CC3)cc2)c1 1476013936 FBRMZQARFNHHFT-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@]12CCCO2 1476017122 FGWBFDMMNGTCRU-XJUOHMSHSA-N 441.915 4.852 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3)cc2)nc1 1476056511 GBILDBFHXCGTJB-LJQANCHMSA-N 433.899 4.799 30 10 IJEE C=C[C@H](COC)NC(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1477909307 SOSWRJZHPUMKGA-XLIONFOSSA-N 447.373 4.979 30 10 IJEE CCC[C@H]1CN(C(=O)NCc2cccc(O[C@H](C#N)CC)c2)CCN1Cc1ccccc1 1477923798 FYWDBWVYXZHCCA-ZEQRLZLVSA-N 434.584 4.564 30 10 IJEE C#C[C@@H](NC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1 1478897386 VLSFKOBAQDPLSJ-TZIWHRDSSA-N 436.861 4.734 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCSc1nccs1 1507519152 FWBGIDFNPMKCOD-QGZVFWFLSA-N 448.621 4.899 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC2CCC(F)(F)CC2)c1 1507546250 DYZPZGYKQWFBRZ-QGZVFWFLSA-N 443.542 4.673 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C(C)(C)C1 1507596708 NPZOPXPNULLYDC-MOPGFXCFSA-N 429.609 4.636 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 1507743944 GFEGRWRAWPMTSL-HIFRSBDPSA-N 434.993 4.974 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]2CCC[C@@H]21 1507758000 FXRBNBGGYGNFRQ-OALUTQOASA-N 442.654 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 1507797980 TZPTYGHVULPBFG-VIPLHTEESA-N 445.405 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1scnc1C 1507812577 NOUXFQNJSKYZRA-KRWDZBQOSA-N 429.565 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cc(C)nn1C 1507822078 PHCKYJLGNQASBD-UHFFFAOYSA-N 436.604 4.782 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1507859827 DBFSVJQOFBCLFS-KBPBESRZSA-N 437.769 4.561 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1507903681 FDQHUMUQGGEYRT-UWJYYQICSA-N 429.634 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC1(C)C 1508010843 GCAHLZAFOBHRHL-INIZCTEOSA-N 441.626 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1Cc1cc(C)on1 1508011081 LKYNELGYNSQCED-UHFFFAOYSA-N 439.516 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@](C)(OC)C2CC2)C1 1508119721 XLYMWBBDXXMQSW-GJZUVCINSA-N 438.616 4.839 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccoc2)C1 1508124140 AYOPIKAJYSMJQA-SFHVURJKSA-N 430.961 4.646 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccc(Br)s2)CCCN1C(=O)OC(C)(C)C 1518173528 TUSNXUNHVKWITR-IBGZPJMESA-N 443.407 4.515 30 10 IJEE C=CCC[C@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1 1519376302 SZNGOCAGCNOLNK-NRFANRHFSA-N 429.545 4.949 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc2c(c1)OCCO2 1522212784 UFVGBAJFQDDEIJ-FRBSRZPYSA-N 437.536 4.615 30 10 IJEE CCOc1ccc(CCC2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)cc1 1523970257 BSZZUEFIMBWEDV-UHFFFAOYSA-N 428.536 4.628 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c(C(=O)OCC)c1C 1525887296 FLOCHKXXOBMACN-CHWSQXEVSA-N 449.475 4.596 30 10 IJEE C=CCC1(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CCOCC1 1527985703 SIJRNDXWJUVEMX-UHFFFAOYSA-N 443.341 4.557 30 10 IJEE N#Cc1ccc(F)c(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)c1 1528040090 ATQPDJWQNYHJOW-UHFFFAOYSA-N 439.288 4.777 30 10 IJEE Cc1c(C(=O)Nc2cc3ccccc3cc2C#N)nnn1-c1cccc(Br)c1 1528747146 CDZREANLVOIOGM-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C=CCN(C(=O)c1csc(N(C)c2ccccc2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1529014433 HDCVBWZVEUUXIW-JOCHJYFZSA-N 449.576 4.714 30 10 IJEE CC1CCC(Oc2cc(CNC(=O)c3ccc(Br)cc3C#N)ccn2)CC1 1531641113 HVDWDKDZYSIQNK-UHFFFAOYSA-N 428.330 4.603 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCC2(c3cccc(Br)c3)CC2)cc1OC 1531836052 HEUBFRWVINURJX-CSKARUKUSA-N 442.353 4.884 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)C(F)(F)c2ccc(Br)cc2)cc1C#N 1534396186 HVLSRBJNSLVQNQ-UHFFFAOYSA-N 438.228 4.620 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1ccc(Cl)s1 1538992559 UDQRWMYPQGSIST-OAHLLOKOSA-N 444.988 4.768 30 10 IJEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1539112104 IICBXNXXZNGXFU-AWEZNQCLSA-N 434.491 4.546 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)c1ccccc1 1539187609 YEBFULKOHVQHMI-SSEXGKCCSA-N 426.538 4.838 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1539520496 TUOGOPQPPNPHEN-VQTJNVASSA-N 447.048 4.529 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1539643999 CQUWDYIZHZQKBH-WLKXKRCBSA-N 432.515 4.586 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCN(C2CCCC2)CC1 1539691315 UIIDXWXOUYZMIJ-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C[C@H]1CCCOC1 1539785722 AEGMZCFLQFSTSW-GOSISDBHSA-N 442.947 4.732 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1539842032 PLDOMWMYXJPUAI-NRFANRHFSA-N 439.604 4.959 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1539966017 DGFPLQUTTJMSHF-MRXNPFEDSA-N 426.458 4.933 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539967011 CHOHOEYAJXSDAK-LJQANCHMSA-N 443.586 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ccc(NC(C)=O)nc1 1540146289 CCCOEVKLWRXELP-UHFFFAOYSA-N 438.601 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1CCOc1ncccc1Cl 1540164458 PENHHVFNNJFHNO-UHFFFAOYSA-N 434.931 4.732 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1Cc2ccccc2O[C@H](C)C1 1540919194 IXKCJQPHSFPUKF-QGZVFWFLSA-N 426.611 4.637 30 10 IJEE Cc1nc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)sc1SCC#N 1546286495 HJZHEKICUAAKMQ-MRXNPFEDSA-N 444.582 4.540 30 10 IJEE C=C[C@@H](CC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1556356813 JQDOQSGCVFOOFY-UGSOOPFHSA-N 442.275 4.977 30 10 IJEE C#CCN(C(=O)[C@H](C)c1cccc(CC(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370285 LLEFCJMJDRGEMJ-HXUWFJFHSA-N 426.601 4.850 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Br 1561960162 TWXFIZVSQOFUEI-SFHVURJKSA-N 438.774 4.804 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccccc2C)CC1 1562928333 CRNMSQASXQCDJT-UHFFFAOYSA-N 430.346 4.676 30 10 IJEE C=CCNc1ncc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)s1 1570079462 UVLDZOZRRBYUCT-OAHLLOKOSA-N 431.359 4.792 30 10 IJEE C=C(C)C[C@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(=O)OCC 1583525435 BLEIPAXCFJNFRB-INIZCTEOSA-N 434.945 4.590 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cc(Cl)cc3c2OCC3)s1 1584587688 HPCBUBJXIWPFOK-UHFFFAOYSA-N 429.394 4.743 30 10 IJEE C=CCOc1ccc(COC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 1584601527 DATPTQQGESUZJX-DEOSSOPVSA-N 429.472 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@H](c2cccc(F)c2)C1 1585924521 HZCPXGIRNIXSIJ-FQEVSTJZSA-N 443.906 4.785 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1587723297 HRRXKMGVJCPOTA-OAQYLSRUSA-N 437.975 4.665 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1csc(C(C)(C)C)n1 1587909145 DREBYCMWBYXGEJ-MRXNPFEDSA-N 441.576 4.623 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(Cl)c1 1588098963 DZIMVLCMJQOXOR-QGZVFWFLSA-N 434.996 4.906 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C(C)C)CC1 1588109387 DCTMHYHPZGQMGD-UHFFFAOYSA-N 428.536 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(OC)C1CC1 1588272041 UDDDJYROXACSRO-DEOSSOPVSA-N 435.597 4.652 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C)[C@@H](C)C1 1588984161 GLHQGWHSCMGKSR-CUWPLCDZSA-N 426.630 4.884 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)CC[C@@H]1C 1589421789 YJLNTYAHNWPSNJ-JSGCOSHPSA-N 425.321 4.681 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccco1 1589449690 MQANBKQCZNGGFO-KRWDZBQOSA-N 447.308 4.839 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1593677812 LUAVKJXJRRZAPJ-KRWDZBQOSA-N 439.551 4.528 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](OC)C(C)(C)C1 1593923783 RYQYRJBJORQJQW-MRXNPFEDSA-N 445.778 4.778 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OCCC)CC1 1594003480 BJTKYAXYBMCIFQ-GUDVDZBRSA-N 425.017 4.735 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCCC2)CC1 1594208693 MDIOUTQQIQFNFD-UHFFFAOYSA-N 425.533 4.605 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cccn2)CC1 1594208764 NXBVRPOXOFDGCK-UHFFFAOYSA-N 431.371 4.941 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC)[C@H](C)C1 1594573102 OLGYKOUAKZOIFG-MOPGFXCFSA-N 432.012 4.958 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1595184776 BIFAQJCRQNZSSN-QGZVFWFLSA-N 435.597 4.762 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(C)CCCS2)C1 1595745139 QCHYQJYSMNDOOI-ZJSXRUAMSA-N 426.630 4.520 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OC)ccc1OCC(F)(F)C(F)F)c1ccc(Cl)cc1 1596960651 FNWWPCXJVUVPDO-MRXNPFEDSA-N 429.797 4.732 30 10 IJEE CCc1cnc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)s1 1613832643 CCHVYTPQROEQPD-HZPDHXFCSA-N 442.564 4.557 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 1623822009 YJWCPZKFDRCZHI-IBGZPJMESA-N 426.340 4.743 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)c(Cl)c1 1626206818 GWALHTQOBBWNPA-MRXNPFEDSA-N 440.124 4.841 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCCc3nc(C4CCCCC4)cs3)n[nH]2)c1C 1626985406 SIDCIYCJEPCYSI-UHFFFAOYSA-N 438.601 4.553 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccnc1SCc1ccc(Br)cc1 1635310234 DXIWCARGKHFOMY-LPHOPBHVSA-N 447.398 4.847 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1637561690 MUAOJDPWGYHWBC-DZRGJMJISA-N 436.637 4.927 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C\C(=O)OC)cc2)nnc1-c1ccc(C)cc1 1641019924 YYVDIMTVHOHIAL-ZROIWOOFSA-N 435.549 4.797 30 10 IJEE C#CCN(c1cnc2cc(F)c(F)cc2n1)[C@H]1CCOc2ccc(Br)cc21 1642275310 RJBAGLWHGSOTPH-SFHVURJKSA-N 430.252 4.634 30 10 IJEE C=CCN(Cc1ccc(Cl)nc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1645291223 WJFQXMQWWGRXIM-QGZVFWFLSA-N 426.866 4.916 30 10 IJEE C#CC[C@H]1CCN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 1648293340 ZMSLBIDRECOSOO-HTAPYJJXSA-N 446.532 4.743 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCO[C@H](c3ccncc3)C2)cc1OCC 1651094524 RDRCEDQQWSFFQE-ICSRJNTNSA-N 447.373 4.818 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1653734753 SKPHIKZXGWZSEU-ZWKOTPCHSA-N 429.655 4.866 30 10 IJEE Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC[C@H](O)COc1ccccc1C#N 1654052702 BUJIBFVOVSDBJE-LIRRHRJNSA-N 427.957 4.734 30 10 IJEE C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(OCc2ccccc2)c1 1655220833 CUMIXZJEDFTGNM-INIZCTEOSA-N 426.925 4.830 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)c1 1658978839 CSRLDFWSFIUWJK-TZYAJKAJSA-N 434.536 4.921 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 1663085262 VYEQFYNYEOUUNM-FZMZJTMJSA-N 426.298 4.881 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1665214766 GZOLPLJLNXYGRC-FQEVSTJZSA-N 426.442 4.938 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)ccc1OC 1668881913 FXYZSHKPTUAFPN-GHTZIAJQSA-N 447.539 4.689 30 10 IJEE C[C@@H](CC(=O)OCc1ccccc1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1674397099 AXJCUXJHZFXRHF-SFHVURJKSA-N 429.476 4.994 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccc(Br)cc1 1683681922 YTEZNSRQNVBZKI-ZWKOTPCHSA-N 431.305 4.864 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1)c1ccc(C(F)(F)F)cc1 1685820511 XOOLPSCCVLRBHB-WIYYLYMNSA-N 439.478 4.633 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1)[C@H]1CCCO1 1686184608 MFHCHSJWTYLRCU-XZOQPEGZSA-N 440.971 4.858 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccoc1C 1689916122 AHCXBGJFALHBRM-UHFFFAOYSA-N 431.309 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](OC)[C@H](C)CC 1690038620 XBCGPKICJNPVRY-OXQOHEQNSA-N 433.383 4.776 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)C#C 1690155919 POZLJSGBHBENRM-ROUUACIJSA-N 431.005 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)N(CC)CC 1690209155 MDJKLDCMVOFFBT-HYBUGGRVSA-N 437.613 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CC)C1 1690240099 BRETTWXBXPXEIB-PMVMPFDFSA-N 438.616 4.839 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690250411 HGWKYXHAYPIUAR-JWUVWSEFSA-N 448.533 4.679 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC=CCC2)CC1 1690397128 WCRXUKGFWJRUAJ-HXUWFJFHSA-N 439.991 4.620 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690476738 MXYNBIZOBLFFNV-OAHLLOKOSA-N 430.915 4.779 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@H](C)C1 1690503693 LHXHAANCGWBBDC-DLBZAZTESA-N 433.394 4.783 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)c(C)o1 1692960001 HNMMWOXXRKKXAK-QLXKLKPCSA-N 447.583 4.807 30 10 IJEE Cc1nc(C)c(CCn2c(CCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1693335490 DBUZBCHVEGCDLR-XMMPIXPASA-N 434.613 4.509 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCC1(C)C 1698058259 CZWXJHHDELTRIE-HXUWFJFHSA-N 446.599 4.995 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccsc2)C1 1698485804 CPOYXEBFCQPVJO-LJQANCHMSA-N 433.965 4.776 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705510056 RTUUBSRMGQNLGE-CVEARBPZSA-N 449.418 4.720 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCOC2(CCC2)C1 1705512548 GVMVOOUPNATAON-UHFFFAOYSA-N 436.600 4.933 30 10 IJEE C#CCCCCn1c(N[C@@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1cccn1C 1705521741 KIIXIRXSKVDEAT-LAUBAEHRSA-N 425.964 4.929 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1C(F)(F)C12CCC2 1705602435 VDLHRTVXVUDTFT-HXUWFJFHSA-N 440.563 4.777 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCC1CC(OC(C)(C)C)C1 1705623773 DQDCQSGXWVXUMG-UHFFFAOYSA-N 445.007 4.668 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1705664164 WNHINHLEJSDSGB-HNNXBMFYSA-N 444.576 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CC[C@@H](F)C1 1705671396 JDIMFLFPOWYDPD-DMJCMNNJSA-N 440.563 4.873 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1705738195 PFZNGCBYMYLMCS-HXUWFJFHSA-N 438.597 4.526 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 1705741573 TUAGYOGICCZFED-CTNGQTDRSA-N 437.632 4.882 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(Cl)s2)CC1 1705764752 MBOGEBUUEUCOMK-UHFFFAOYSA-N 430.961 4.882 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)CC1 1705772431 STEXMZITTOBMQA-KDURUIRLSA-N 429.609 4.641 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705786157 HOUNVRBEAUQVTC-XZOQPEGZSA-N 448.615 4.734 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1705791297 SFFGBFDDKWALMK-LEWJYISDSA-N 437.588 4.572 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 1705797336 UIBMSQDZDILUQY-UNMCSNQZSA-N 431.584 4.628 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1c(C)noc1C 1722282763 RHNQYGSTWDYQOG-KBPBESRZSA-N 442.361 4.574 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)c1nccs1 1722325460 KBTBWOBAYPLGMX-HNNXBMFYSA-N 444.402 4.817 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722334629 HGVHYLQGBIWADK-FQEVSTJZSA-N 438.572 4.669 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOCCc1ccccc1 1722346203 MUWBZYBDZRGKGS-HXUWFJFHSA-N 448.636 4.850 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1oc(CCC)nc1C 1722375379 NOINXHJLPIUZEU-QGZVFWFLSA-N 447.608 4.501 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCC[C@H]1C 1722404752 CYQRKVRERVDYKL-YDIMBITNSA-N 445.007 4.699 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(C)s1 1722419627 BCBQHXMGEOQTLZ-FQEVSTJZSA-N 438.597 4.539 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2csc(C)n2)CC1 1722562442 AQPQOPDOKZBZQY-UHFFFAOYSA-N 439.585 4.516 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722619294 XSLRYKLLRJPCMJ-UHFFFAOYSA-N 436.629 4.543 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cccs1 1722624038 RDMFXGKMCBAPJG-IBGZPJMESA-N 439.541 4.849 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1722625522 SRQQHSZJBPTSEI-HZPDHXFCSA-N 449.368 4.674 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(C)OCCc2sccc21 1722643134 DPRYTESACPBFCG-XMMPIXPASA-N 438.597 4.646 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cc(C)no1 1722668314 ORCMMNQLVFKQRB-UHFFFAOYSA-N 448.752 4.884 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C)(C#N)CC1 1722742966 LXWRTMRXUTVHKX-UHFFFAOYSA-N 425.602 4.523 30 10 IJEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1729811803 FRQSVQVBBWVUES-SFHVURJKSA-N 425.577 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1nc(C)cs1 1740538718 ONWALPXSIDJYSO-YJBOKZPZSA-N 430.581 4.828 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)CCC(C)C 1740540800 ZJIBIGHBQAIACW-LLJLJFOGSA-N 428.646 4.777 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1740671944 SFLNYXAGTYTZPS-GJYPPUQNSA-N 434.462 4.544 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCCc2sccc2C1 1740721874 WTHIJNYEZAQOGV-UHFFFAOYSA-N 438.622 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCCN1CCCC[C@H]1C 1740733184 FMEIYKSRUKVEPU-HYBUGGRVSA-N 425.646 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1740753541 LDNPPICYKXOWGO-PXNSSMCTSA-N 444.366 4.697 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)o1 1740760326 IDZSBSPTUJSKAO-QFBILLFUSA-N 449.393 4.909 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccc(C(F)(F)F)n1 1740768964 DKIQJFCVJFAWAD-UHFFFAOYSA-N 446.433 4.718 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1csc(-c2ccco2)n1 1740771101 RRVTWSPFKUJAKU-UHFFFAOYSA-N 430.537 4.984 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1740789815 QWJIMODOWIDUOH-QZTJIDSGSA-N 445.405 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740847038 VQKZFJGKYAZGHU-HXOBKFHXSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740847148 YIISBIABUUYTGE-MRXNPFEDSA-N 439.501 4.759 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740865207 KZYSBUHJILCYEP-OAQYLSRUSA-N 434.588 4.558 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740924698 AFNDGTWQAWVGQG-YESZJQIVSA-N 430.394 4.661 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1(CC)CCOCC1 1740935118 CCFRLWJFCBRBKI-HSZRJFAPSA-N 438.616 4.614 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1741801613 BSYNBZOIVSYXID-JEWRLFTDSA-N 449.477 4.823 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2CCCc2cccc(C)n2)cc1 1742292532 HQOLRTCSDGEFMG-LJQANCHMSA-N 434.613 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCCC1(C)C 1748684077 CCFOGNZFYVRAIN-FNZWTVRRSA-N 438.616 4.688 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(CCC#N)CC1CC1 1748709177 PTBGGSPQLALINQ-UHFFFAOYSA-N 426.362 4.641 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(CC)CCOCC1 1748834862 WXBOIHICDAQQSC-UHFFFAOYSA-N 431.367 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCCN1C[C@H](C)O[C@@H](C)C1 1749150558 XWURIOICFPCDIJ-OALUTQOASA-N 432.012 4.500 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1749291225 BJVYLVUOGJYNSU-ROUUACIJSA-N 445.995 4.533 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS[C@H](C)[C@@H]1C)c1ccccc1 1749384916 JKMVRRCJCVRENI-YVNJGZBMSA-N 426.630 4.862 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccnc(N2CCCCC2)c1 1749500066 ULNPBKUOANKCSK-UHFFFAOYSA-N 446.599 4.530 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)C[C@H](C)C1)C(C)C 1749557283 HFDUXUIMRDJRIK-GPJHCHHRSA-N 429.653 4.701 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749641042 QZYSNNSBIPETIK-KRWDZBQOSA-N 430.961 4.644 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2[C@@H]2C[C@H]2C(C)C)C1 1749699542 BCOFZMCOKAICSR-VDZJLULYSA-N 449.368 4.845 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(C)C)C1 1749749078 GMRHVPUMRKLFEU-LJQANCHMSA-N 428.602 4.508 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H](OC)C(F)(F)F 1760104299 WDNHXTVXLQIZSD-DEYYWGMASA-N 440.535 4.557 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN(C)C1CCCCC1 1760177397 IFPMVEXLJAYHOY-UHFFFAOYSA-N 437.632 4.623 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)s1 1760245062 PWDKNDKJPBFEJO-INIZCTEOSA-N 440.638 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCO1 1760291391 NEKBFHAXNVGNOP-XMSQKQJNSA-N 443.389 4.577 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N(C)CC(C)C 1760303957 DSXXRBRDRVTYMQ-UHFFFAOYSA-N 428.172 4.708 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760341912 DNSOGKCTYYSYSW-MJGOQNOKSA-N 430.980 4.901 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760433777 MFVARUSVBHEMDW-DZGCQCFKSA-N 437.407 4.739 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC(F)(F)F 1761518449 GIQBRSCYYIQIIO-LLVKDONJSA-N 440.363 4.898 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1CC 1764083278 AUAHBNPFWQPPCC-RTWAWAEBSA-N 436.604 4.531 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)SC1=Nc1cccnc1Cl 1772733040 JDAAXBPRVHYZAJ-ZNMYEUQISA-N 445.928 4.551 30 10 IJEE CCN(CC)c1ccc(NC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 1858913142 SDNIRMVTHRWIPH-UHFFFAOYSA-N 442.519 4.945 30 10 IJEE CCOC(=O)c1sc(NC(=O)Cc2noc3cc(C)c(Cl)c(C)c23)c(C#N)c1C 1859643528 JFMKDNYLECCAAE-UHFFFAOYSA-N 431.901 4.698 30 10 IJEE CCOc1cc(/C=C/C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC 1860728804 MFXYYLGCWXRJEC-XBXARRHUSA-N 427.806 4.987 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C)c(C)c1 1861646878 WMIUMRNYHFCABL-VWLOTQADSA-N 438.612 4.886 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862433010 SFZPYUQEWDUXMX-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862441811 CZTOIFDICIZRTJ-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862469353 LICCVJJTMFEDKM-SFHVURJKSA-N 425.282 4.529 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862618065 OIKCXCISWOSGDY-XOBRGWDASA-N 427.928 4.597 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccc2c(c1)OCO2 1862674518 NUHOQBGQHUKVJY-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 1863306289 ZHAIOWWKTLWSOW-UHFFFAOYSA-N 441.506 4.858 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(OC)cc2OC)C1=O 1863753468 CCFPCEMVNJLQGS-UHFFFAOYSA-N 430.589 4.922 30 10 IJEE C=CCNC1=C(c2c[nH]c3ccccc23)C(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863823970 ZGKPXZDFDFEKTF-UYTITELCSA-N 429.564 4.628 30 10 IJEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(OCCCCCC)cc2)n(C(C)(C)C)[nH]1 1870000235 IMWSEYMNWMDUQU-UHFFFAOYSA-N 439.604 4.845 30 10 IJEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3Cc3ccc(Cl)cc3Cl)c(C)c2c1 1870111061 WBUNRGNZWKGWGH-UHFFFAOYSA-N 439.306 4.855 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccccc2C(F)(F)F)c(C)c1 1870159643 NBJDWVKCPVVCJT-UHFFFAOYSA-N 442.445 4.565 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1CCN(CC)CC 1870464870 BNCDYWCFQFCPHA-UHFFFAOYSA-N 437.628 4.506 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(CCCCN(C)C)CO2 1871348454 GRWJHNJUKLEQAT-BKUYFWCQSA-N 426.944 4.758 30 10 IJEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871369720 GGLOROHLBLQUCO-KSEXSDGBSA-N 444.439 4.633 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4C(=O)O)c3C)C2=O)cc1 1871431788 XPIOFJFYGUBEEE-XKZIYDEJSA-N 443.455 4.635 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871438246 RTDRBIRNKMSTKT-ZTPSMGMTSA-N 437.275 4.567 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)o1 1871439058 FUTFVGMHYZWYRT-UUYOSTAYSA-N 434.444 4.969 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871851100 PHXKCAKEUQGISG-JOCHJYFZSA-N 430.570 4.814 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872285177 NNIUYOMMZVCJOU-QHCPKHFHSA-N 428.598 4.612 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1872358325 XUPZOALGCGZPRJ-UZLBHIALSA-N 445.025 4.710 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 1872359201 GQXGHXMEAWKTNA-IBGZPJMESA-N 440.487 4.608 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(C)c2)cs1 1872765829 XVQPQJBKVLUIPV-SFHVURJKSA-N 434.517 4.947 30 10 IJEE CCCCCCCCNC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(CCN(C)C)C1=O 1873088256 DIVSZTKNHMLXMF-UHFFFAOYSA-N 447.623 4.945 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1ccc(C(F)(F)F)cc1 1873527688 MEIDESNVPDNDOC-UHFFFAOYSA-N 427.451 4.644 30 10 IJEE OCCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874282106 BEEGHYWWQCDWLN-OEAKJJBVSA-N 435.380 4.727 30 10 IJEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2cccc(OC)c2OCC)cc1 1874303931 YOVFGXPCVYQCFN-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccn1 1874346430 OJZRKKSTMXJOCV-WGOQTCKBSA-N 433.512 4.608 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccc(O)cc2)c1 1874422169 YFJLONHUBDPHOS-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE C=CCSc1nnc(CC(C)(C)C)n1/N=C/c1cc(Br)cc(OC)c1O 1874439765 QZFXXVIOEBULSZ-RGVLZGJSSA-N 439.379 4.504 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2F)nc2ccccc12 1874456428 RAIOARRQJCYKBA-DHRITJCHSA-N 448.527 4.898 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 1874458307 GRGLRXZZEBTHBG-LSFURLLWSA-N 425.367 4.519 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874524263 GIGLFZFAOUUQLT-DHRITJCHSA-N 432.553 4.552 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(Br)cc1 1874524809 HRIFOKAXIGTITO-RGVLZGJSSA-N 446.330 4.686 30 10 IJEE COc1c(Cl)cc(C(=O)/C=C/c2c(OCC(N)=O)ccc3ccccc23)cc1Cl 1874590541 MTLBBXQXVDRLOM-BQYQJAHWSA-N 430.287 4.915 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC(=O)Nc1cccc(C)c1 1874597463 OIGIBNJVKWDDNW-RMKNXTFCSA-N 445.471 4.646 30 10 IJEE COC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1874608278 GFEGUUPXNPKYHM-BQYQJAHWSA-N 439.689 4.559 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OCC(=O)OC 1874622617 MGBGZIIGJNSURG-KPKJPENVSA-N 441.480 4.739 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccncc1 1875119785 MRGDRGIDELRZJW-ZHACJKMWSA-N 429.472 4.943 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCCOCCCC)ncnc2n1CC(C)C 1875208132 VQRJXUJFZHOPKJ-UHFFFAOYSA-N 427.593 4.520 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CC2)cc1 1891073447 HKSXZOWPAREBIP-UHFFFAOYSA-N 430.558 4.859 30 10 IJEE N#C[C@H]1CC12CCN(S(=O)(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2 1891987213 CKJRWTQOLWJPSY-MRXNPFEDSA-N 436.455 4.812 30 10 IJEE C=CCC1(Oc2cc(Br)c(F)cc2N)CCN(C(=O)OC(C)(C)C)CC1 1903013196 KBEJZCYJZSTJPG-UHFFFAOYSA-N 429.330 4.895 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922135250 YULGMXGPYQUREQ-DNQXCXABSA-N 441.568 4.621 30 10 IJEE O=C(O)C[C@@H](C1CCC1)[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 1952815962 WCRRDZIRYUAUBU-UNMCSNQZSA-N 425.550 4.715 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](Nc2cc(Br)c(C#N)cc2F)C1 1962884460 MYUGHNBSGHJNHT-OCCSQVGLSA-N 426.330 4.955 30 10 IJEE C=C(I)CN(CCC)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1992152359 DKZBRQASDNDBMM-XYPWUTKMSA-N 434.362 4.578 30 10 IJEE CC1(C)OB(c2cnc(N(CCC(F)(F)F)Cc3ccccc3)c(Cl)c2)OC1(C)C 2004977151 XBPSBDTVNWVKHF-UHFFFAOYSA-N 440.702 4.993 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)cc1 2033306090 HYDQPTBYBAOFPM-DBVUQKKJSA-N 445.560 4.974 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(C#N)c(Br)c1F 2106010840 QCBZNYCOWGXMSC-JSGCOSHPSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CCCNc2cc(Br)cnc2C#N)cn1 2169170219 TYQVDUGGRKLEMJ-UHFFFAOYSA-N 432.322 4.502 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ccc(C#N)c(Br)c1F 2174815433 SXRRRFIQCWKMAQ-HUUCEWRRSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(C#N)cc2Br)C1 2203256006 SPHHUEKDVODHNJ-DZGCQCFKSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](O)C#Cc1cccc(Br)c1 2242568819 FOLRHFNBOUPUMM-FQEVSTJZSA-N 430.342 4.599 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)c(OC)c2)C1 2281506428 UHOXNTSIKXHGJM-GOSISDBHSA-N 439.394 4.969 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCN[C@H](C(F)(F)F)C1 2294736271 OGUXCOMBYJSYAZ-YOEHRIQHSA-N 448.283 4.767 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](O)C#Cc1ccc(Br)cc1)c1ccccc1 2296266757 LVMKAFJZKSXJOW-VQTJNVASSA-N 430.342 4.818 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@H](N)C#Cc1ccc(Br)cc1 2296297741 CIBYYNKSEXMRRM-AZUAARDMSA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2296302521 KCOQHXJSINAVBI-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@H](N)C#Cc2ccc(Br)cc2)C1 2296305228 QSGFOPBLJALHBE-LRXVAGHRSA-N 433.390 4.555 30 10 IJEE CCOc1cc(C=C2SC(Nc3ccc(Cl)cc3)=C(C(=O)OC)C2=O)ccc1O 2297602850 ZHPZGUGQXDFMFR-UHFFFAOYSA-N 431.897 4.598 30 10 IJEE C=C(I)CN1CCC(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 2299438225 FVQLNNIAZUXHFF-UHFFFAOYSA-N 448.389 4.684 30 10 IJEE CCC[C@H](CS)COCc1ccc(I)c(Br)c1 2306304543 HMSLXXNQHMRLIR-NSHDSACASA-N 429.161 4.916 30 10 IJEE CCCOc1ccccc1C=C1SC(=Nc2ccc(C(=O)O)c(O)c2)N(CC)C1=O 2314926690 PLSWDAUQPNDWGG-UHFFFAOYSA-N 426.494 4.503 30 10 IJEE COCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322016569 ZASUCTIGPFSLOZ-UHFFFAOYSA-N 444.325 4.562 30 10 IJEE CCN(CC)C(=O)COc1c(OC)ccc(C=CC(=O)c2ccccc2)c1Br 2323127287 KIRVDYMAUCUANB-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325330378 ANPQMPYUPZVGQC-GFCCVEGCSA-N 437.275 4.567 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2)ccc1OC 2325737754 NQNDQCCVTVOECF-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE Cc1cccc(C=C2Oc3cc(OCC(=O)OCCOc4ccccc4)ccc3C2=O)c1 2325744738 XOQYRJMINQDNHP-UHFFFAOYSA-N 430.456 4.612 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c1 2325745459 ZCGVTDDIZAWEQW-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCCO)cc1 2329772866 FXULCYRUDAKLRR-UHFFFAOYSA-N 426.561 4.662 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N=Cc2ccco2)cc1 2329946973 CVGROQHCQVSFRN-UHFFFAOYSA-N 449.511 4.522 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1N=Cc1sccc1C 2330777894 GCEYNDVBSCRHKW-UHFFFAOYSA-N 435.578 4.612 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(Cl)c2)c1 2331682892 ONVLRMUKPLXORO-UHFFFAOYSA-N 427.961 4.976 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2360197429 LUHZUMKSMPYEDW-UYZIEWPDSA-N 434.374 4.635 30 10 IJEE C=CCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccc(OC)cc1 10533285 ZMUYTZFQWZRFKR-UHFFFAOYSA-N 438.582 4.636 30 10 IJEE O=C1[C@@H](Cc2ccccc2)S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N1c1ccccc1 13303374 GOMFQOTWSUTRJN-JWIAKYGYSA-N 430.489 4.676 30 10 IJEE CC(=C/c1ccccc1)/C=N/N=C1\NC(=O)[C@H](CC(=O)c2ccc3c(c2)CCCC3)S1 15055426 FIRIWSVVOGKCKR-OWMVJYKBSA-N 431.561 4.815 30 10 IJEE CCc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1 20575916 HKBQAIWLKACTTC-MOSHPQCFSA-N 442.537 4.936 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)c3ccc(OC)cc3)ccc2C1=O 39754409 QEMLSJAUPRAWGM-QFEZKATASA-N 430.456 4.972 30 10 IJEE C=CCc1ccccc1OCCn1c(CCCNC(=O)c2ccncc2)nc2ccccc21 40184304 FERMKHHUSXBWAU-UHFFFAOYSA-N 440.547 4.601 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 41290009 NUACQULGXHNLRI-MTJSOVHGSA-N 434.419 4.987 30 10 IJEE CC(C)(C)c1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc3c(c2)OCO3)cc1 45940360 DSJLJBBIPGKXEW-UHFFFAOYSA-N 430.508 4.506 30 10 IJEE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2sc(C)c(C)c2C#N)C[C@H]2CCCC[C@@H]21 71843958 CBQADHRYCMWRCD-UXPWSPDFSA-N 437.565 4.657 30 10 IJEE CCCCCCCCCCCCCCCC(=O)NCCCC(=O)ON1C(=O)CCC1=O 100305880 VYBSJVVAXLPOFS-UHFFFAOYSA-N 438.609 4.971 30 10 IJEE CCCOc1c(Br)cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)cc1OC 111219873 XQXQJYXNPQRMHW-INIZCTEOSA-N 439.256 4.519 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2cccs2)c1 169928716 LTRRPNBBJJMHBT-SFHVURJKSA-N 440.546 4.609 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccccc1)c1ccc(F)cc1 170056391 QIOCWTIRUCQXKD-FQEVSTJZSA-N 431.398 4.624 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccco2)cc1 170097157 UNBDRNKNZHVXPF-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1 170098206 WAOSOVQFGVFSBO-HXUWFJFHSA-N 446.484 4.989 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@@H]1CCCO1 170122958 DZQVLWFORDFWSY-UUOWRZLLSA-N 443.499 4.606 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1cccc(C)c1 170139393 OJDFVSSZGUSYAG-HSZRJFAPSA-N 437.536 4.660 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccs2)s1 170167134 JSMGVBGMKUXBHE-QGZVFWFLSA-N 428.510 4.739 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)c(C)c1 170187646 GZZFHZGXSTTWIZ-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccncc2)cc1C 170202427 NSIJOFQXHOSBJI-XMMPIXPASA-N 440.499 4.806 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(OCC)cc1 170213948 UMZBIHLGOWZAOW-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc2ccccc12 170220467 BFKCZXWYFOKOJC-QHCPKHFHSA-N 427.456 4.811 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2)c1 170222272 HLHYBZSOCPJYEU-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1OC 170239814 AHCQVDPUDRRMOL-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 170250568 IKCBGDVQHAHQNB-JOCHJYFZSA-N 435.451 4.984 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1Cc1cccs1 170270006 NUKFDDSFPZFYSC-QFIPXVFZSA-N 431.513 4.770 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccncc1 170374278 SSRFZVGYKJZDSR-LJQANCHMSA-N 435.277 4.627 30 10 IJEE CC(=NN=C1S[C@H](CC(=O)O)C(=O)N1c1ccccc1)C12CC3CC(CC(C3)C1)C2 254395838 ZNMSRRSGWAGBJK-YLSHDAJPSA-N 425.554 4.558 30 10 IJEE Cc1nn(-c2ccccc2)c(Cl)c1C=NOCC(=O)Nc1cccc(C(F)(F)F)c1 254757275 HZELIFHGGBNYPC-UHFFFAOYSA-N 436.821 4.842 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 255934999 BBJZEZOFAYAMAB-UHFFFAOYSA-N 427.573 4.809 30 10 IJEE N#CCC1(CNC(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 431045722 AAHBHNZVINCOAS-OAHLLOKOSA-N 435.368 4.501 30 10 IJEE Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)o1 442164632 WCGNYLBNATWXON-OXJNMPFZSA-N 444.491 4.585 30 10 IJEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 460961183 SBPJXKWJWOGZGA-IIBYNOLFSA-N 439.560 4.572 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1C(F)(F)F 480122963 WZTWMZGLLHOXRN-MRXNPFEDSA-N 431.462 4.813 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 508798550 USMPVDHWUBRHAK-HYFFOGBASA-N 440.494 4.849 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 508831694 GDFDZCHACBNMIB-VFCRVFHLSA-N 437.371 4.601 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1OC 526486841 QEMXZKDGBWLEDM-QHCPKHFHSA-N 430.460 4.924 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)c(OCC)c1 526803552 ZMNVISXNXNOVQK-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccc(Cl)c1 526831262 LKKZQGKOLNCLCY-JJFYIABZSA-N 432.933 4.827 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 579812396 QFYDMQFRGUSHLO-DEOSSOPVSA-N 441.535 4.656 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)Cc3ccccc3F)C2)c1 586058716 XQVMXOSJWZCBKK-JOCHJYFZSA-N 437.559 4.627 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)NC3CCCCC3)CC2)cc1 586509224 YLFXKMVHJHTBKQ-UHFFFAOYSA-N 436.618 4.633 30 10 IJEE CCN[C@H](CC#CC(C)(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693702518 PRYMZDDWUQLZBA-ATIYNZHBSA-N 427.633 4.574 30 10 IJEE Cc1ccc(CN(C)C[C@H]2CCCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 719940976 FJIZGTAXUVSNDY-RUZDIDTESA-N 448.460 4.638 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CCc3sccc3[C@H]2C)c1=S 732526555 DCMRYTADZBPRBV-DNVCBOLYSA-N 440.594 4.751 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 735309569 ITTCOZLYJJTORM-MRXNPFEDSA-N 426.879 4.811 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccccc3Cn3cccn3)c2)s1 740024841 AQPFPAJCCUALOA-UHFFFAOYSA-N 427.533 4.531 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCCc1cc2cc(Br)ccc2o1 779837977 UQVXKCMTSPNZJQ-HXUWFJFHSA-N 436.302 4.543 30 10 IJEE C#C[C@@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccc(Cl)cc1F 804420713 MRNYPSDYVRCKAP-LJQANCHMSA-N 435.326 4.899 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC(F)F)cc1 1125086451 GWTKICBIMCTJTB-UHFFFAOYSA-N 446.475 4.500 30 10 IJEE N#C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)CCN1Cc1ccccc1 1126036593 CZLSRTWOMVTKDT-OAQYLSRUSA-N 431.923 4.982 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1126369227 DAXOGXRTLMJVDZ-YWZLYKJASA-N 434.851 4.777 30 10 IJEE CN1C[C@@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc2C1=O 1130125787 CTUMTPWVBZRVRJ-OAHLLOKOSA-N 448.338 4.784 30 10 IJEE N#Cc1c(F)cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1F 1136525294 DHESKEJDKIFXOL-ZDUSSCGKSA-N 428.826 4.560 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 1137244911 AUNTWHUFWSHOSK-UHFFFAOYSA-N 428.319 4.942 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cccc(COc2ccccc2C#N)c1 1137901188 HTYSZCATYRCAFY-RBUKOAKNSA-N 449.551 4.607 30 10 IJEE C=CCCC1(CNC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC(C)C)CCCC1 1147172852 YSOJNDNLBVXXKP-UHFFFAOYSA-N 440.588 4.533 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C3)C2)c1 1148983729 PJSRTKUZRFMKTD-ROUUACIJSA-N 444.984 4.593 30 10 IJEE C=CCC[C@H](C(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1)c1ccccc1 1158326235 VHSMGPZFDZSBGI-CTNGQTDRSA-N 430.386 4.775 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(F)c(OC)c(F)c1)c1ccc(C(F)(F)F)cc1 1211148618 MPIZZBYQPUTGSK-QGZVFWFLSA-N 435.414 4.978 30 10 IJEE C#CC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)C1 1220767542 GOHPCCQDZOFABS-XMSQKQJNSA-N 439.650 4.624 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)cc(OC)c1OC 1221553366 DXUPTCOLAAERKW-CQSZACIVSA-N 430.932 4.581 30 10 IJEE Cc1ccc(-c2cccc(CNC(=O)N3CCN(c4cccc(F)c4C#N)CC3)c2)cc1 1230408763 BRHLMEDPPYMFTB-UHFFFAOYSA-N 428.511 4.705 30 10 IJEE C=Cc1ccc(CCNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 1251314123 SRFYBYAPJUVNCX-OKILXGFUSA-N 442.350 4.685 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1CC)c1ccc(Br)cc1 1275474421 OFHLMYVCQPVXLQ-IBGZPJMESA-N 442.744 4.955 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ncc(CC)s1 1286277354 YBTJVIPSRKJLQU-OAHLLOKOSA-N 448.621 4.902 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1286277492 ZFKASEJKZYNRPD-DZFGPLHGSA-N 449.624 4.896 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1ncc(CC)s1 1286278333 NGQFIVSUXQYICT-CVEARBPZSA-N 444.004 4.791 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ncc(CC)s1 1286440631 GRBPLQIHKFLAOG-UHFFFAOYSA-N 434.396 4.973 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(C)CCCO1 1286454454 XSGBTHJGPAIAIH-FDDCHVKYSA-N 430.980 4.717 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C/C=C/c1ccccc1 1286459614 DZJWIGDADKYDLZ-OJLWIZQOSA-N 446.620 4.931 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1286510184 LCUJUJDVJBRTBW-QZTJIDSGSA-N 432.684 4.575 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2cc(C)ccc2C)CC1 1286547054 MRUPRPHYFKPWSR-SSPYTLHUSA-N 437.632 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N(CC)CC 1286565175 BNFWSPYTCDOKIX-OAHLLOKOSA-N 440.455 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1286578342 CWXYJKSPVGQIAS-WZONZLPQSA-N 430.666 4.547 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@H](C)c1nccs1 1286603614 VFCFAANNYCVBHK-INIZCTEOSA-N 431.993 4.888 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)(C)CC1 1286604180 OQVGPQICQKDZTO-UHFFFAOYSA-N 442.604 4.960 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC(C)CC2)CC1 1286647629 KUFGGXNDEFBGLF-UHFFFAOYSA-N 425.596 4.677 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1286664876 KKOCJHXRIHYFTQ-OFNKIYASSA-N 426.605 4.937 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286685682 WOUIRDFAAMMWNT-UHFFFAOYSA-N 439.007 4.616 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286701793 FWBZBVMABHVCLZ-KRWDZBQOSA-N 442.658 4.545 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](OC)[C@@H](C)CC)C1CC1 1286732848 GFKVYGZLVSHRIX-HNAYVOBHSA-N 433.394 4.924 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@](C)(O)c1cccc(Cl)c1 1286749735 YEGKTRCOGPNPEO-JOCHJYFZSA-N 428.989 4.971 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCC(C)(C)C1 1286756209 RXKWGHWGDHGUPJ-UHFFFAOYSA-N 444.023 4.908 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 1286800935 TXWDFVPQUGCUJI-DNVJHFABSA-N 438.616 4.833 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N(CC)CC)nc1 1300280883 GLWVEZOSAOXFIL-FQEVSTJZSA-N 444.627 4.990 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1C(F)(F)C12CCC2 1300603049 WXRSVEXHCLQRNX-AZUAARDMSA-N 428.527 4.930 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCc1cc(C(F)(F)F)ccn1 1300618636 KQZLCDGGUDPPSZ-UHFFFAOYSA-N 438.457 4.542 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C)[C@H](C)C1 1300833713 AXOXHJWPFGMOLE-LSDHHAIUSA-N 426.362 4.884 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC(C)(C)C 1300889524 CNQRSPRAUKOVGW-REWPJTCUSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)CC(F)(F)F 1300905948 HEKUVYKVSQZJSI-UHFFFAOYSA-N 446.521 4.780 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSc2ccccc2)CC1 1301110216 XYHTXTYMHICXTA-XMMPIXPASA-N 442.629 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1301119801 XCSGSPZDDPCSFY-SFTDATJTSA-N 446.643 4.976 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1301127865 WCIFKLSFNYGGRT-WOJBJXKFSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccs2)CC1 1301141352 KUGORAPFQSUCHM-UHFFFAOYSA-N 432.597 4.807 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1301187041 OATGYNBKZTYFBA-JOCHJYFZSA-N 437.588 4.731 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](OCC)C1 1301209424 TXJPCIYLSQCKCC-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(Cl)cc1 1301293572 CSXVAUGLQOCTMI-SFHVURJKSA-N 445.995 4.717 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccncc1Cl)C1CC1 1301316940 LORWUYHMOYODTI-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(OC)c(Br)c1 1301473596 FFGQGOIRIVQIAJ-UHFFFAOYSA-N 443.349 4.642 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCC(C)CC2)C1 1301543301 XPZXOVJTURXKKL-JOCHJYFZSA-N 444.023 4.502 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CCC2CCOCC2)c1C 1304012165 BOCLSCBWDCXCRG-QUCCMNQESA-N 425.577 4.590 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC(C)(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307237546 DFIOHURTHUYUES-KDOFPFPSSA-N 447.670 4.800 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CCCC1(C)C 1310017879 SFMUNYZYJGKSBN-WIYYLYMNSA-N 433.618 4.706 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)cc1 1310888240 DHKOJZJOGYGXGG-PMACEKPBSA-N 443.956 4.775 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4c(Cl)cccc4Cl)CC3)cc21 1311252312 PFLIDZPFMZRTMZ-UHFFFAOYSA-N 430.339 4.883 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 1311951666 WFMNHWKZOIMJKG-LJQANCHMSA-N 431.483 4.586 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1)C1CCOCC1 1313043710 UIHIELQEZBYXGX-JOCHJYFZSA-N 442.556 4.910 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(NC(=O)OCC)ccc2Cl)cc1 1351529080 RZNAWOBFDMMTKY-UHFFFAOYSA-N 441.915 4.975 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N(C)C4CCCCC4)c(F)c3)cc2C1=O 1357388067 HJYMLXZRLDASTF-UHFFFAOYSA-N 435.499 4.629 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CCOC)CC1 1358938730 ILKCGYRKKAOTPZ-SFHVURJKSA-N 430.980 4.574 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cccs1 1358969436 PFKSBRWGTGVZFC-GOSISDBHSA-N 438.984 4.871 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@@H](C)C1 1359144340 FQXNERLPTIQGJZ-STQMWFEESA-N 439.785 4.951 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC=CCC2)CC1 1359165391 NPRDAYPQLLEHFO-HXUWFJFHSA-N 441.620 4.905 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)N(C)C2CC2)CC1 1359173486 HGOGBFVGQJGJOZ-TZIWHRDSSA-N 437.632 4.920 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1359175864 CRPIETJVMWIBJH-FQEVSTJZSA-N 441.938 4.923 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CC2)CC1 1359178134 JTXZDCHXGZUCNP-LJQANCHMSA-N 429.609 4.595 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1)c1ccccc1 1359196016 VYXWGDDGFOOIEM-FGZHOGPDSA-N 437.632 4.722 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@H]1C)C1CC1 1359254468 SIHPFIBWSJRWOY-MKXGPGLRSA-N 429.609 4.640 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359339617 MARZIBLXOCWQNH-JOCHJYFZSA-N 439.673 4.813 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 1435133146 BQLFQJQTCCGQCW-HSZRJFAPSA-N 434.540 4.619 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1443089380 DTWRPFDSKKJKCA-FQEVSTJZSA-N 446.334 4.574 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 1443720777 ZWAYCZBVJSCBDC-HNNXBMFYSA-N 447.967 4.539 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1cn(C)c2cc(Cl)ccc12 1447750575 SHKZCEFFJIXUMH-UHFFFAOYSA-N 434.927 4.555 30 10 IJEE CC(C)[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H](O)C(F)(F)F 1449384494 DDFCECBLPDMNCZ-ROUUACIJSA-N 426.822 4.682 30 10 IJEE C=CCCSCCNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 1452987846 MOABYNLBJLEFJL-UHFFFAOYSA-N 446.619 4.741 30 10 IJEE CS(=O)(=O)c1cccc([C@H](Nc2ccc(C#N)c(Br)c2)c2ccccc2)c1 1458223306 CINAVWLEWKDXQY-OAQYLSRUSA-N 441.350 4.926 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)n1 1459757281 FYPNEEWTFJNAPP-QFIPXVFZSA-N 442.346 4.992 30 10 IJEE Cc1c(C#N)c(NC(=O)CNC2(C(=O)OC(C)(C)C)CCCCC2)n(C2CCCC2)c1C 1460905279 IFSOPFMUNPEUOX-UHFFFAOYSA-N 442.604 4.664 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)c1ccccc1 1463376338 SLRNSARLHFCIEO-XGCWNURASA-N 432.489 4.575 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C 1466498206 AQBCMNQIHWYVCF-ROUUACIJSA-N 434.540 4.772 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(c2cccc(Br)c2)CCC1 1468181685 XXRCXEWFXPOCKL-UHFFFAOYSA-N 429.333 4.855 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)cc(OC)c1OC 1468360854 BALGPTKPAHCXDA-HXUWFJFHSA-N 444.959 4.839 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](Cc3nc(C)cs3)C2)CCCN1C(=O)OC(C)(C)C 1471917328 QSNBSVDWBZIUDW-MBSDFSHPSA-N 433.618 4.578 30 10 IJEE CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)c(Cl)c1 1474837741 CNVWTIIEDKXQHT-GFCCVEGCSA-N 427.751 4.746 30 10 IJEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1502291679 FLIVFVVKIJPKKT-NLWGTHIKSA-N 445.011 4.684 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)C1CCCCC1 1507605478 UYGQAVYJRPVFKJ-HHHXNRCGSA-N 445.611 4.753 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](OC)C(C)(C)C 1507677038 SZGXUINKDASDQC-FQEVSTJZSA-N 445.032 4.748 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H]1N(C)CCCC1(C)C 1507771397 DCSSEHFEVHAHCN-YIXXDRMTSA-N 449.643 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)c1ccco1 1507811348 QAPYHFBWHKEMLU-BSRJHKFKSA-N 440.519 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1507821488 DJIIPFWJJAHNIM-QFIPXVFZSA-N 436.522 4.863 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cnn(C)c2C)CC1 1507896817 LUZGFQXNVAUCBM-KRWDZBQOSA-N 440.979 4.564 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCC2)CC1 1507897952 TYPLXBYSIGIVHH-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1507978903 UZDKIMXRVDNMQN-FGZHOGPDSA-N 447.631 4.511 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1508003041 REYBQROIYNMTPY-AZGAKELHSA-N 445.611 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO[C@H]1C(C)C 1508019348 FXKQXOQNBLBLPC-JPYJTQIMSA-N 430.543 4.777 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1508153589 NQYZIZUVTFUHMR-PGRDOPGGSA-N 435.597 4.855 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1510289723 FPQSGBLJJAWYQY-KNQAVFIVSA-N 428.531 4.610 30 10 IJEE C=C(C)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1522315387 WRPGUTZHNLPMSO-BWKNWUBXSA-N 436.552 4.579 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2ccc(Br)cc2c(=O)o1 1525730314 AVIWERHCTJIFHG-UHFFFAOYSA-N 444.329 4.551 30 10 IJEE C=CCCC[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 1527489706 MNLKRNFDYWYHBX-BJKOFHAPSA-N 426.988 4.970 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1527614932 AGNLUODWLVVUHD-JOCHJYFZSA-N 434.536 4.864 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](c2ccccc2F)C(C)C)nnc1-c1ccco1 1527944928 LHIFXXYQEQHDND-HXUWFJFHSA-N 428.533 4.859 30 10 IJEE C=CCN(C(=O)c1cccc(C)c1Br)[C@H](Cc1ccccc1)C(=O)OCC 1529015219 UJDVOWDIVXDXLZ-LJQANCHMSA-N 430.342 4.560 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(Br)cc2OC)cc1OC 1529111689 MZYIRACSMTZRLN-OCOPJHETSA-N 446.341 4.922 30 10 IJEE C#CC1CCN(C(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1 1529676114 RGURPRBYXAUIAU-UHFFFAOYSA-N 448.950 4.715 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc(Cl)c1Cl 1530295035 HNAKCMOKROLHMM-AAEUAGOBSA-N 436.726 4.749 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)C(=O)OC 1531945413 IUQHSSCPKWXCAG-JOCHJYFZSA-N 432.476 4.904 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1533464971 JYLLRCQOAAARLR-LJQANCHMSA-N 442.737 4.801 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)c1 1534966180 GHVKZRMURYPCRB-QHCPKHFHSA-N 441.484 4.538 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)cc2n1 1536229715 GMUWOKZBIZILLM-HXUWFJFHSA-N 438.503 4.608 30 10 IJEE CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(COc2ccccc2C#N)o1 1538539416 BIBHAVUPZLZJMU-UHFFFAOYSA-N 444.409 4.900 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1c(CC)noc1C 1538975744 CTSZGHLJPBSHIM-HNNXBMFYSA-N 446.580 4.742 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)C(C)(C)C1 1539119500 JXXWWRGCXCAFLW-LJQANCHMSA-N 443.636 4.678 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCCC1(F)F 1539147233 DHXCOTKEFZWESJ-ZWKOTPCHSA-N 432.515 4.712 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1539326281 UAWILGNQDWDPBH-RUZDIDTESA-N 445.655 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCCc1ccccn1 1539624021 PRLZWKBKZQKEQP-URXFXBBRSA-N 431.584 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)C[C@H]1CC 1539639943 CYJNSKGDIDSCLM-LVBDUCALSA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1539659538 AWZVVTANSNVCEN-NLFFAJNJSA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1539672254 VXSBNRTXFIILQJ-FQEVSTJZSA-N 445.583 4.714 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539856127 QVNTXXQRGJXAPV-UHFFFAOYSA-N 443.473 4.784 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1539917170 CCUFKUCSKQLVIY-CVEARBPZSA-N 439.560 4.529 30 10 IJEE C=CCCCn1c(N(C)Cc2ccccc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540019892 FAHAJGXBLNKYHC-OYRHEFFESA-N 439.604 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC(C)CC1 1540141586 ATXAPYYCNNUZKL-FQEVSTJZSA-N 436.629 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1540158956 UOTSKNXDOQSMAN-KRWDZBQOSA-N 445.995 4.938 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)Cc1c(C)noc1C 1540881338 GPTDNQLNKPOLRX-UHFFFAOYSA-N 449.580 4.785 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1542095270 ZOUXQOAZGGRVJP-INIZCTEOSA-N 439.940 4.847 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 1542970678 XNSKUIJGSNQXLI-KBPBESRZSA-N 432.735 4.710 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C(F)(F)F)cc1 1544661326 GMSDXNHYFJWQNT-LJQANCHMSA-N 444.858 4.722 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 1556350145 OFHMWRVXZMOOTN-LJQANCHMSA-N 440.588 4.799 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncccc1OCc1ccccc1 1556969868 GOLYBGRPMHCADF-QGZVFWFLSA-N 431.920 4.635 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)c1 1558713359 LYZKAYBCKBEAOJ-UHFFFAOYSA-N 436.489 4.502 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nc2sc3c(c2c1=O)CCC3 1559328544 FEBZBKUXPWEWMZ-GFCCVEGCSA-N 445.997 4.905 30 10 IJEE COc1ccc(-c2nc(SCc3cscc3Br)nc(O)c2C#N)cc1 1559334031 RCWDHPYHZWBKFC-UHFFFAOYSA-N 434.340 4.846 30 10 IJEE C=CCC[C@H]1CCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1561989175 JDRABKDDMWDTAA-CCDWMCETSA-N 442.600 4.554 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCC1(c2ccc(OC)c(OC)c2)CCCCC1 1564053544 PXPPNZZICAPZTI-UHFFFAOYSA-N 426.557 4.939 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 1564787366 OKJVIUBOEYSONE-SANMLTNESA-N 426.516 4.542 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)C2=Cc3cc(Br)ccc3OC2)c1 1586310526 CJWSUBGKUGRVCE-UHFFFAOYSA-N 449.098 4.602 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1586954726 UGSZMNHDSHOSGV-INIZCTEOSA-N 425.367 4.733 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1CSC 1587719191 VHGOJBPAHDHYNJ-SFHVURJKSA-N 433.419 4.843 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1587777785 QZDKZVNVGFRHSX-UHFFFAOYSA-N 425.524 4.926 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1589546787 RJTQVKVPDOTEPA-LSWJPFSZSA-N 442.604 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1c(C)noc1C 1589557850 JJQIONDTRQGCON-RDGATRHJSA-N 449.599 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1([S@@](C)=O)CCC1 1589599784 MCNMVPPEHJLEER-PLTNMMHCSA-N 444.645 4.739 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@@H]2CCCCO2)CC1 1594438578 VTVUWESRJHFJMU-FQEVSTJZSA-N 442.629 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1594478380 PQFHGJIQIBSOIX-UHFFFAOYSA-N 439.560 4.680 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@@H](O)C1 1594855356 BNBRQZRFMCGWOB-NLWGTHIKSA-N 432.996 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1nccn1C(F)F 1595156550 NNBWZLLMVPBEQG-UHFFFAOYSA-N 441.511 4.543 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)cc1F 1595259852 DEWIEUFSKDHHSA-HXUWFJFHSA-N 430.911 4.799 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 1595561402 LRYRVRVBEFQEQQ-INIZCTEOSA-N 449.901 4.741 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1595884855 VLBBMDNBBLFJEL-RTWAWAEBSA-N 433.710 4.877 30 10 IJEE C#CCN(C(=O)c1cc(C2CC2)nc2ccc(C)cc12)C1CCN(C(=O)OC(C)(C)C)CC1 1596142106 OYLGREXIXHQRIS-UHFFFAOYSA-N 447.579 4.896 30 10 IJEE C#C[C@@H](NC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)c1ccc(Br)cc1 1596979439 YFICLANONVXBDI-OAQYLSRUSA-N 445.320 4.596 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccco1 1611747913 DMRHIYZLQLWVQA-KSFYIVLOSA-N 425.920 4.843 30 10 IJEE C=CCn1c(SCc2nc(C)cc(O)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1613433113 UDRNOJWJPZAORT-UHFFFAOYSA-N 436.562 4.716 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2cc(F)ccc2C)s1 1618642161 QFUKEFYDGXTQDC-AWEZNQCLSA-N 440.928 4.627 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCCC[C@H]1C 1624519636 LLUZKQZDUXDODW-OFNKIYASSA-N 443.632 4.927 30 10 IJEE C=CCOc1ccc(CC(=O)N(CCC)CC(=O)Nc2ccc(Cl)cc2Cl)cc1 1630095809 NQOUICVUTUTWFS-UHFFFAOYSA-N 435.351 4.978 30 10 IJEE COc1ccc(CCNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)c1 1630443565 HJLVGTPRQNRDEX-GOSISDBHSA-N 429.520 4.845 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1 1630649896 KOIOEVURAKYYDH-QZTJIDSGSA-N 447.000 4.839 30 10 IJEE CC(C)Cc1ccc([C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 1630700009 GDMJRZISDYIGBA-SANMLTNESA-N 430.596 4.735 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(C)CCO[C@H]1C 1633842027 PBBCCVUAFSMFLT-HNEHEIDXSA-N 448.563 4.544 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1637455308 OWWFVZOVXVZDFX-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C=CCn1c(O)nnc1SCC(=O)Nc1nc(-c2ccc([C@H](C)CC)cc2)cs1 1641003477 PHTYUJUWKGOAIB-CYBMUJFWSA-N 429.571 4.538 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1641354194 SJWFDHDLCYPKFH-BEFAXECRSA-N 448.972 4.711 30 10 IJEE CCOC(=O)c1ccccc1NC(=O)CN(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 1644857945 BVZDRTIPQWLCIL-UHFFFAOYSA-N 445.494 4.828 30 10 IJEE CCOC[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1646112561 HPOIVCLYJDGHFY-MSOLQXFVSA-N 431.646 4.990 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 1652403234 IQWSZZLJNUHCBC-RUZDIDTESA-N 427.548 4.996 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2ccc(O)cc2)n(-c2ccc(F)cc2)c1C 1657589258 CRCBOQXSFUUTDK-HSZRJFAPSA-N 432.499 4.586 30 10 IJEE Cc1cccc([C@H]2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)C2)c1 1658219608 DJUQOSZVPVUNJA-QHCPKHFHSA-N 444.554 4.900 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1662674427 RVNALQJIHSICNS-GOSISDBHSA-N 441.381 4.744 30 10 IJEE CC1CCN(c2ccc(CNC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)cn2)CC1 1666473352 DLKLKKPGGZYLRO-UHFFFAOYSA-N 442.523 4.699 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)C(C)C 1666759310 TZQGPYXAOKSEHD-FQEVSTJZSA-N 435.494 4.711 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(Cl)cc(Br)c1OC)C(C)C 1666810439 FEQDRRDRZSUTCI-QGZVFWFLSA-N 444.801 4.931 30 10 IJEE C#CCN(C(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1667089046 XESZQGKNCAZJHQ-MRXNPFEDSA-N 446.370 4.775 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1669152680 MODQBVGEKTWJEV-HNNXBMFYSA-N 426.218 4.804 30 10 IJEE COc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC2CCCC2)c1 1669926515 CUIHALDPLVOUCN-BJKOFHAPSA-N 433.552 4.998 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(Cl)c(I)c1 1673004868 UOVYGRLMGZLQHG-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@H](c1cccs1)N1CCCC1 1689863132 NIKJISDROUHLGK-UNMCSNQZSA-N 449.624 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCOC1CCCC1 1690038320 LDULILRZJUMABR-UHFFFAOYSA-N 428.939 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1690214678 RVDHZRCFFYCUPN-JHMXWDHMSA-N 436.625 4.852 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)[C@@H]1C 1690497928 YOUYRCUSNAZNEH-PCCBWWKXSA-N 444.645 4.958 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CC2(CCOCC2)C1 1690588413 VGHDWUYTZMEKDT-UHFFFAOYSA-N 442.991 4.992 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](CCC)OC)C1 1690690121 RQUZZLFDJHNJJW-IAGOWNOFSA-N 439.387 4.848 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1690734259 ZUMQCFRNHNFJHI-TZIWHRDSSA-N 444.645 4.815 30 10 IJEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)C1 1693664351 FUISMLOPJYQWEW-OALUTQOASA-N 441.023 4.849 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1N(C)C 1698438527 HVSAXDCQRSTIFX-IBGZPJMESA-N 443.599 4.731 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1(COC)CCC1 1705483581 XUHVEJXGBYCIOP-KRWDZBQOSA-N 445.405 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705485541 KTULKQAJGBUFEP-JVFUWBCBSA-N 440.588 4.547 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)SC 1705500815 BFEOFLJVLHXPQU-CYBMUJFWSA-N 427.401 4.763 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CCc1nc(C(F)(F)F)cs1 1705608484 TTXRXCQVFXJOBF-UHFFFAOYSA-N 433.503 4.685 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC2(CCCCC2)O1 1705616973 SATFXGRZZXVBLJ-QFIPXVFZSA-N 436.600 4.815 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1705625583 PJAQAHXXZIHIHD-SFTDATJTSA-N 437.607 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1705708707 GEMKSOJPPJHGLK-PMWMKWCKSA-N 449.599 4.585 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(C)CCCS2)CC1 1705778379 UNPLOJGRNMPBDC-HSZRJFAPSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@H]1C 1705795241 FRFPIKSVFVHYCP-MSOLQXFVSA-N 449.665 4.894 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H]1OC)C1CC1 1705851083 UFJVTGGJHHDVKM-BEFAXECRSA-N 431.378 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1nc2cccc(Cl)c2n1C 1705875552 XQMYFAOMDDBNBB-UHFFFAOYSA-N 438.988 4.697 30 10 IJEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCc2sccc2C1 1709603674 FYJUSHTWMWIZGV-UHFFFAOYSA-N 434.613 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@H](C)C1 1722507041 WYGBAZRWPOPOIJ-ZWKOTPCHSA-N 428.577 4.810 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722610495 AHEPRGAOWIMCBZ-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CC(F)(F)F 1722620932 KOAFAUXGSDHZNF-UHFFFAOYSA-N 433.272 4.584 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722644956 VPSHJMOAZRNOKU-NTKDMRAZSA-N 443.661 4.712 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCCOC(C)C)C1CC1 1722646744 VICXSUKCEHZYJJ-UHFFFAOYSA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1722654078 PWEHVWMCRDLTHN-MBSDFSHPSA-N 442.579 4.992 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CCC(=O)NC1CCCCC1 1722658889 LIJLACREYMYTOI-UHFFFAOYSA-N 441.595 4.746 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@@H](C)C1 1722659960 IKWFKXRLSNHBCY-HXUWFJFHSA-N 448.590 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ncc(CC)s1 1722663626 DDBFAQMAJFQNPX-GOSISDBHSA-N 429.615 4.841 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CC[C@@](C)(CC)O2)C1 1722722507 PJQWVRJGJIKRAD-PQNGQFLHSA-N 445.007 4.651 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nccn1C(F)F 1723771454 DMKFACXYARJIBH-NSHDSACASA-N 440.285 4.630 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(CC)CCC(F)(F)F)C1 1727722616 FOVYIXXGXPNXGQ-GOSISDBHSA-N 448.537 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740541575 CCSHREZYMCRNRX-FIKGOQFSSA-N 445.007 4.906 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740593721 NZPCFJZISQZMHZ-HXUWFJFHSA-N 426.973 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@@H](F)C1 1740631634 CRMXYYHTCNFAKK-AZUAARDMSA-N 433.556 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1nnc(CC)s1 1740770882 KDFVWAJZXRSLMJ-UHFFFAOYSA-N 447.406 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740847098 WZCDVMPCHMERGX-HXUWFJFHSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1740851860 DLUWLYCCZYWLOQ-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCO[C@@H]1C(C)C 1740915911 XKCPOLVTWJLKJI-NFBKMPQASA-N 435.572 4.536 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C 1740918026 JEWJHIYDTOTJNL-WIOPSUGQSA-N 431.584 4.518 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCc1nccs1 1740921401 SUBWMGYEXHJJGG-IBGZPJMESA-N 427.549 4.551 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CC(=C)Br 1740927973 QVMGKWZXPHPJJY-UHFFFAOYSA-N 438.167 4.795 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1 1740935009 YVDLVLUJCMGXOI-QHCPKHFHSA-N 433.625 4.785 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740944077 OGJHCVOBHASLHJ-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc2cnccc2c1 1740949594 MEALWWGBLOZISC-NRFANRHFSA-N 448.571 4.721 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1747492362 BEPJLJVQROBGMJ-AZUAARDMSA-N 427.643 4.682 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1748722434 ZFLPXNJBFWKAMO-RUZDIDTESA-N 447.671 4.929 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCN1CCC[C@H](C)C1 1748775837 XVOJRZMXPYRZRU-UXHICEINSA-N 439.673 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1748889465 KVXLGORLPHAQQA-UXHICEINSA-N 425.458 4.573 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@H]1C(C)C 1748946244 BTRJAWCOTKEFLF-DHLKQENFSA-N 438.591 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)c1c(C)noc1C 1749147993 WEQQUROMQNTMSG-INIZCTEOSA-N 439.560 4.773 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1Cc1ncccc1C 1749528278 KFHBNDHOGQKCSQ-UHFFFAOYSA-N 440.551 4.601 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC(C)(C)c1ccccc1F 1749587256 MWLCXTHOHRFKFC-UHFFFAOYSA-N 446.530 4.680 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](CC)Oc2ccccc2F)C1 1749701560 WKCSIGQKTYDTSO-MOPGFXCFSA-N 440.519 4.625 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749747189 VNDVTLLSMDDBDD-UGKGYDQZSA-N 439.673 4.835 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1752130275 HFKUQWRSFAEJIZ-RTWAWAEBSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(Cl)s1 1760106468 CSIVDDLPLTZKBH-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1cccc(C)n1 1760125690 SJVCGFZODAHNDM-QGZVFWFLSA-N 425.989 4.628 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1ccncc1 1760196940 UKDXSLIIKOZTKL-UHFFFAOYSA-N 431.952 4.524 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1nccs1 1760212850 GXLNYYJNFSGDOH-GOSISDBHSA-N 449.649 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1760329450 ZBLJPZNDLRHDIG-PXDATVDWSA-N 439.604 4.897 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760357250 AJNSIHVAUHYCAR-OAQYLSRUSA-N 441.576 4.707 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnc(C)s1 1760422036 HLMWYCKRRXEPBY-UHFFFAOYSA-N 449.422 4.804 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnn(C)c1C 1760432175 GOAYZFFTCQFEQM-QGZVFWFLSA-N 428.968 4.716 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@@H]1CC 1760456875 ZBTGMVQWZRGUHC-YADHBBJMSA-N 425.621 4.922 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(COC)CCOCC1)C1CC1 1760470019 UFLNYRRIFKQZQR-UHFFFAOYSA-N 438.616 4.841 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@H]2CCCCO2)C1 1760537908 SZAFZVSHXDVVRT-NHCUHLMSSA-N 430.980 4.729 30 10 IJEE CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1764029776 ARDOPTVWAOGMAS-HSZRJFAPSA-N 449.599 4.890 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1C(=O)O 1857891133 ODPQNYKFUZZMMP-UHFFFAOYSA-N 443.540 4.809 30 10 IJEE CC(C)CC(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 1860091329 HJBNTJOBRQSBNO-HNNXBMFYSA-N 425.554 4.747 30 10 IJEE CCc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)nn1Cc1ccccc1 1860838669 VYLNLVHRKQKMCE-UHFFFAOYSA-N 449.514 4.870 30 10 IJEE CC(C)COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1 1860839369 QOAYTSDPXWFTQQ-UHFFFAOYSA-N 441.531 4.704 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)c(O)c1 1862417483 SAJDFXKUKMXEMD-LAECCNGNSA-N 443.446 4.533 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1F 1862463229 DTVDNTAACLFOEW-YYSFKGJASA-N 425.353 4.759 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2Br)c1 1862565741 FFZBLKFKMHPVRY-LJQANCHMSA-N 441.325 4.552 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 1862606111 KLTXYRKQPVDPBR-QFIPXVFZSA-N 439.483 4.756 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc(Cl)cc(Cl)c1 1862632758 WPGRFKFHROKASV-GOSISDBHSA-N 434.275 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1F 1862644199 FUKYTMJCBXSZDE-LJQANCHMSA-N 435.854 4.861 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C(C)C)cc(OC)c1O 1862670081 LQFKJLFEPRFOHP-OAQYLSRUSA-N 439.508 4.520 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862672371 BNPPSXLYIVHBJR-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CC)cc1 1862761857 ULFHOMRMCWGFQE-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cccc(C)c1 1864851375 HGGSOACXNJQQAZ-QFIPXVFZSA-N 438.616 4.988 30 10 IJEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccccc3)sc2c1 1865946961 XDUXGXZMLHYGPJ-UHFFFAOYSA-N 449.557 4.680 30 10 IJEE CC(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 1866967942 GLTMKDWXMCEWDL-RPBOFIJWSA-N 443.522 4.803 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870766864 JYHZKRILYPNVRI-WOJBJXKFSA-N 448.563 4.506 30 10 IJEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871200377 NIPIBTSHCUDXGM-UHFFFAOYSA-N 426.557 4.666 30 10 IJEE O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(CCCc2nc3ccccc3[nH]2)CO1 1871347149 CGTRNDTXSZHESY-XKZIYDEJSA-N 427.460 4.557 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1cccc([N+](=O)[O-])c1 1871421076 UFIBYVJRNNEIDD-OGAKRCKNSA-N 442.427 4.785 30 10 IJEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871456124 NMLXDFZCSKEODV-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1871845653 GHXXZGYUSCJFEZ-QFIPXVFZSA-N 430.570 4.670 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 1873407073 GOBBLTJBXIIHNH-UHFFFAOYSA-N 447.416 4.969 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3CCC[C@@H](C)C3)ncnc2n1CCCOC 1873588508 DIGXLYFOWODYJU-HXUWFJFHSA-N 443.636 4.794 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874203603 KAUCGKOIOFCQQN-SSDVNMTOSA-N 436.368 4.834 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2/N=C/c2cc(Br)ccc2F)cc1 1874302376 VOYAGSMJYKQQEB-WSDLNYQXSA-N 449.349 4.773 30 10 IJEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874390028 RASIATDEKPQLER-YZSQISJMSA-N 444.560 4.806 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2)cc1 1874430442 IJGQCDBUDOTHMV-WPWMEQJKSA-N 441.560 4.544 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c(O)c1 1874467493 LMOBYTANACXAMX-SSDVNMTOSA-N 426.885 4.777 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2-c2ccco2)c1 1874468713 VGAIULXTISNIJZ-BFTFCADCSA-N 445.548 4.698 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c1OC 1874512212 MNGWFMQITKWBBK-WSDLNYQXSA-N 441.513 4.501 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)ccc1OC 1874568848 UPDAWQWURGGEHN-FOKLQQMPSA-N 446.960 4.706 30 10 IJEE CCCC(=O)Oc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OC 1874692743 VTDBJVMOSOBXJX-CMDGGOBGSA-N 448.269 4.968 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1 1874695316 VBGHYUPYLZBNSC-VAWYXSNFSA-N 448.471 4.836 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccccn1 1875169220 FXKFLMBLSCKRKT-MDZDMXLPSA-N 447.487 4.840 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccco2)c([N+](=O)[O-])c1 1875192880 IGJIGNBVMDBYMM-QPJJXVBHSA-N 427.796 4.965 30 10 IJEE N#Cc1ccc([C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)o1 1952081524 PGDLVHCRFNTTFR-MRXNPFEDSA-N 430.460 4.638 30 10 IJEE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(c2cc(Br)c(C#N)cc2F)C1 1965605446 DISCSGZFWSDGAJ-ZDUSSCGKSA-N 426.330 4.589 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(CC#N)C1 1985178857 MDSHXQQCNGCYNL-KFHVRLCOSA-N 445.563 4.748 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)c(O)c1)c1ccc(Cl)cc1 2033814160 MPBMOLKKVNSAFJ-IBGZPJMESA-N 441.892 4.591 30 10 IJEE CCc1ccc([C@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1 2079112590 WPRFPHWSVCFKNV-DQAKUKQTSA-N 425.314 4.765 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2111272651 MCRXJQZQEJRXHP-MSOLQXFVSA-N 443.813 4.848 30 10 IJEE Cc1cccc(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)c1NC(=O)OC(C)(C)C 2124534820 JVECBDJIIQDGQG-IAGOWNOFSA-N 442.365 4.506 30 10 IJEE CC(C)(C)OC(=O)NCc1csc(C(=O)Nc2ccc(Br)cc2C#N)c1 2124699372 MZZHRZRFSZZVLQ-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE COCCC1(Nc2cc(Br)ccc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2162310221 TUVVFFJTMDKSCA-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1c1cccc(Br)c1C#N 2174810203 JMSCDAJTKXYKDT-QGZVFWFLSA-N 448.283 4.747 30 10 IJEE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ncc(Br)cc1C#N 2174811712 BOCVOFXISVLPFM-UHFFFAOYSA-N 437.382 4.579 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180904297 VVEBCBCAEBJMOC-KBPBESRZSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CCC1(C)C 2193407477 HVSPVEYAQQMNGT-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OC)c1Br 2207358392 WUZMHGNCJHMWHW-QFBILLFUSA-N 439.394 4.805 30 10 IJEE CC1(C)OB(c2cccnc2Oc2cc(F)c(Cl)cc2Br)OC1(C)C 2232304653 YDPUAHVSKBSUJE-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2ccccc2Br)C2(CCCC2)C1 2235733116 TXIKPWVEWJMVIZ-MJGOQNOKSA-N 433.390 4.555 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2235734782 XTGGTZCUVSRALQ-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2255535145 QPXJZBNDSKPYTE-UXHICEINSA-N 427.394 4.845 30 10 IJEE Cc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1CNC(=O)OC(C)(C)C 2255650454 ZLRJBTAGQNRAHK-UHFFFAOYSA-N 430.354 4.585 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 2261825608 GBOXWMMUNNVLGR-KBMIEXCESA-N 447.572 4.657 30 10 IJEE COc1ccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2267112848 MPFXRTPKHIZMBU-GASCZTMLSA-N 446.353 4.853 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1sc(NC(=O)OC(C)(C)C)nc1C 2278808153 XZSLEGOJHDYMMW-OAHLLOKOSA-N 436.375 4.873 30 10 IJEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2282114479 DLRYXZNTFZMCJF-UHFFFAOYSA-N 446.356 4.639 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)[C@H]2CCC[C@H]1CC(N)C2 2285760713 PKPDSWVXTBPRTO-MZJZNKMSSA-N 434.378 4.990 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@@H](N)C#Cc3cccc(Br)c3)cc21 2296280796 DLTZSCQZBBUXHD-IBGZPJMESA-N 427.342 4.798 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1 2297741205 YFHXNANXYMVFAD-OAQYLSRUSA-N 427.928 4.922 30 10 IJEE C=CCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 2314475535 XVZQWELXZDFBAH-QFIPXVFZSA-N 444.512 4.890 30 10 IJEE CCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2321048403 RZPOMMJAULOXKS-SFHVURJKSA-N 435.597 4.816 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(CCc1cnc[nH]1)CO2 2322417604 RSGMBQSNCAHFFW-UHFFFAOYSA-N 439.874 4.521 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccccc2OC)cccc1OC 2322485595 ORJATEUWXBQIGW-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)cc1OC 2322788564 SXEIAKUGFATVJR-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 2323138598 SHQNFNPZEPOASI-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1cc(C=NNc2nnc(C(C)(C)C)c(O)n2)ccc1OCc1cc(C)ccc1C 2323280207 IRUREHRRJLFPQR-UHFFFAOYSA-N 435.528 4.525 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1OC 2323375207 DLLYLDVWIVLXHK-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2323626709 PLRWIEDWSJJXLS-UHFFFAOYSA-N 444.439 4.918 30 10 IJEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCC[C@H](CO)C1 2324209721 RXMCZMBLPIDYNW-AWEZNQCLSA-N 434.319 4.520 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCc3nc(O)c4ccccc4n3)c2C)C1=O 2325204806 KNKASFRWXKBDBW-UHFFFAOYSA-N 440.455 4.848 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)cc1OC 2325703964 IGBMMAUHMYQKTE-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)c1ccc2c(c1)OCO2 2325742888 JXYVDIQWYUFENR-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OC)c(OC(=O)C3CCC3)c2)c(OC)cc1Cl 2325758630 JLXPDUOYZNFNKD-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccc(Cl)c1 2328486206 CGUOIDCALHHMIN-UHFFFAOYSA-N 427.917 4.981 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(O)cc2)cc1 2330559596 IXBBXSVIUIOPKV-UHFFFAOYSA-N 437.506 4.795 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2330632485 ZITYWUQWEKHTRC-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)c1OC 2331373237 PHIZSPGMHYAIDP-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(F)cc1F 2331637024 PVSCYTPFALBQCL-UHFFFAOYSA-N 443.523 4.739 30 10 IJEE CCc1csc(C#C[C@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)n1 2338652303 ZNTYQTALZLVUGQ-INIZCTEOSA-N 437.359 4.900 30 10 IJEE CN(Cc1ccccc1)[C@H]1CCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339544860 MJIPZHAINOZTDI-TVXVBNPNSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CC1CC1 2339575355 VMJYRCZTIWRBLG-LJQANCHMSA-N 444.381 4.798 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357064546 XZMZQHLXQGKOKP-GKXKVECMSA-N 447.428 4.802 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360197263 IZPIBGLBWWOISR-MTQWCTHYSA-N 433.390 4.567 30 10 IJEE C#CCN(C[C@@H](NCCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2362280138 CDEDYAPKENQVHX-LJQANCHMSA-N 439.394 4.507 30 10 IJEE N#Cc1ccc(Oc2cc(Br)cc(I)c2)c([N+](=O)[O-])c1 2364272089 PSALWJJPGQBANW-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE CC1(C)OB(C=Cc2ccc(=NCCc3ccsc3Br)[nH]c2)OC1(C)C 2365049466 ZDWJUIBUAYJVLE-UHFFFAOYSA-N 435.196 4.627 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCCC)cc2)S/C1=N\c1ccc(C(=O)O)c(O)c1 16927264 LJMUILDKCUKQBK-AXBKCQHESA-N 438.505 4.669 30 10 IJEE CC/C(=N/Nc1nc(SCCC(=O)Nc2ccc(Cl)cc2)n[nH]1)c1ccccc1 21081666 DXGRXUXBYKLWHM-ULJHMMPZSA-N 428.949 4.805 30 10 IJEE COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 21722155 QDUFZIJELHXZHW-DEOSSOPVSA-N 449.551 4.668 30 10 IJEE COc1ccc(/C=C\C(=O)c2nc3ccccc3n2CC(=O)c2ccc(OC)cc2)cc1 33537855 BAZVPXYHLGUJIY-SXGWCWSVSA-N 426.472 4.833 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c(OC)c1 34954235 XLQOPIFCDUZABC-UXBLZVDNSA-N 432.428 4.548 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)S/C(=C/c2cc(OC)ccc2O)C1=O 36258330 ZBTYXEXDPUTOGW-GZTJUZNOSA-N 431.897 4.598 30 10 IJEE C=CCn1c(CCCOc2ccccc2C)nnc1SCC(=O)Nc1cccc(C)c1 40978326 ZBYHDXJUONJFPH-UHFFFAOYSA-N 436.581 4.823 30 10 IJEE C=C(/C=C/C(=C\C)N1N=C(C)/C(=C/c2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)C1=O)CC 98064440 DZVYXLGRIWUMJA-STUVRTJRSA-N 441.487 4.858 30 10 IJEE CC(C)CCOc1cccc(OCC(=O)/N=C2\N=C3C=CC=CN3Cc3ccccc32)c1 101833270 IHYLVYWGTHFAKQ-SGEDCAFJSA-N 429.520 4.761 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1OC 102905867 ROFPTKCGVSBWDP-VFJWVMJUSA-N 449.890 4.984 30 10 IJEE Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H](C#N)c3ccc(F)cc3F)c2)cs1 111029667 DXCIKPCHILMJLX-FERLCFGISA-N 425.460 4.703 30 10 IJEE C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1[C@@H]1COc2ccccc2O1 115183380 AAPPVBXHQWSGTJ-BEFAXECRSA-N 447.520 4.880 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(OC)c2)c1 169937070 ZVRLNTMLVDWMRP-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(O)c1 170083261 SPFWCABTHBMZRP-XMMPIXPASA-N 431.463 4.629 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)cc1 170102116 VCDHRXXDAUMIOF-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE Cc1ccc(-c2nc(C3=C(N)N(c4ccc(N5CCCC5)cc4)CC3=O)sc2C)cc1 170179227 VAZDVOCAMRXDCC-UHFFFAOYSA-N 430.577 4.744 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)c1 170182755 FEGOACVNOOEQMP-XMMPIXPASA-N 440.499 4.752 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1cccnc1 170187474 ZSQBTLBFAQCFGT-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccco2)ccc1Cl 170288892 CMODCVLQOYEMBB-FQEVSTJZSA-N 439.851 4.739 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)cc1OC 170317469 VYUFFUMTDYXNKQ-FQEVSTJZSA-N 441.549 4.985 30 10 IJEE CCCCNC(=O)c1c(N)n(N=Cc2ccc(C(C)(C)C)cc2)c2nc3ccccc3nc12 254761396 YFTFQCRYLPHBST-UHFFFAOYSA-N 442.567 4.876 30 10 IJEE COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CON=Cc2ccc(F)cc2)cc1 255767493 FDLQAZBDOOGPAL-XMMPIXPASA-N 431.467 4.563 30 10 IJEE C=CCN(C[C@@H](NCCC)c1c(Br)cnn1C(C)C)C(=O)OC(C)(C)C 407181727 WDKSSXBODLBRAN-MRXNPFEDSA-N 429.403 4.690 30 10 IJEE CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 427869303 WACVJVOLOBGUNF-XMMPIXPASA-N 449.551 4.625 30 10 IJEE O=C(Nc1cncc(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 439618612 ZFASRCNMBBCLDF-HNNXBMFYSA-N 437.315 4.864 30 10 IJEE C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCO2)c1ccc(C(F)(F)F)cc1 442059478 YWOJCNFUAOGFRN-LJQANCHMSA-N 432.442 4.793 30 10 IJEE COc1ccc([C@H](CNC(=O)NCC2CCC(C#N)CC2)c2c[nH]c3ccccc23)cc1 442437402 TUHUDKLLUXRXQM-XWEVFREBSA-N 430.552 4.938 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(CCCO)Cc1ccc(Cl)c(Cl)c1 460960556 QCKBKTWPIXSSGT-UHFFFAOYSA-N 446.382 4.536 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 508475235 YBIQDBACWPVGCL-INIZCTEOSA-N 444.992 4.560 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 508794557 LMQBSKYMLKHESP-AVRWGWEMSA-N 434.515 4.769 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1cnn(-c2ccccc2)c1 508832450 KOYMWMSHHGCRML-ZEQRLZLVSA-N 440.551 4.531 30 10 IJEE C=CCn1c(SCc2nnc(C3CCC3)n2C)nc2cc(-c3ccccc3)sc2c1=O 542101615 FEJVAAXVYNRZHS-UHFFFAOYSA-N 449.605 4.999 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 549706492 WYDIXOXKRPTOKG-UHFFFAOYSA-N 427.593 4.596 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)C2=CCN(O)C=C2)cc1 616212968 BFERJCRBPHJDSE-UHFFFAOYSA-N 446.956 4.766 30 10 IJEE C#CCCCCCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 686694304 LYXLECWFSMHQKK-HSZRJFAPSA-N 437.561 4.905 30 10 IJEE N#Cc1cc(F)cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687754025 BULDMTWCILXARO-HSZRJFAPSA-N 430.435 4.752 30 10 IJEE C=C(COCCC)[C@@H](NCC)c1ccc(I)c(Br)c1 721552843 SUFKAGSMEQGYGY-OAHLLOKOSA-N 438.147 4.687 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2oc3ccccc3c2C)C1=O 734296962 WUQARTSJGPSAFY-LJQANCHMSA-N 441.940 4.662 30 10 IJEE Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCc1cc(Cl)ccc1OCC#N 735343855 CXNIHMRZHOUVNO-UHFFFAOYSA-N 444.318 4.984 30 10 IJEE CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(COC(=O)c2cc(C#N)cn2C)cs1 751728699 HRIBLQDXNKMWFR-UHFFFAOYSA-N 449.319 4.702 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 752375590 DAVDFPWMFOHUIQ-DLBZAZTESA-N 426.542 4.704 30 10 IJEE CC(=NOCC(=O)Nc1ccnn1CC1CCCCC1)c1nc2ccccc2n1C(F)F 754276094 LFVQLJHGOSIHIO-UHFFFAOYSA-N 444.486 4.588 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nnc(-c2cccc(F)c2)o1 765327516 ASGQLRPOEYXJSV-UHFFFAOYSA-N 437.500 4.833 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1)c1ccc(Cl)cc1 810473507 DFWSOYMTFCZFDT-QHCPKHFHSA-N 432.907 4.657 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc(COCC)nc1C 1125672354 IPLHYNJVHBENCY-UHFFFAOYSA-N 427.339 4.718 30 10 IJEE COc1cc2c(cc1C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)OCO2 1125729757 CUROTSNGVCJILE-UHFFFAOYSA-N 436.851 4.780 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1 1126067658 CNQPZUXXBBHIRI-UHFFFAOYSA-N 425.550 4.589 30 10 IJEE CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C#N)N(C)C 1126993997 IELWHNLRURZZCM-OAQYLSRUSA-N 448.394 4.859 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1ccccc1 1130119068 KUHKWULISZAPHF-OALUTQOASA-N 432.442 4.762 30 10 IJEE COC(=O)c1cccc(CC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1 1130125744 BRPCNRHBMKTLGO-UHFFFAOYSA-N 437.311 4.944 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1132306248 HFZQWACVUFMXTD-RLWLMLJZSA-N 439.559 4.635 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](O)c2ccc3ccccc3c2)s1 1137389162 DUXNCIOBPZERDL-GOSISDBHSA-N 432.998 4.842 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)c1ccc(Cl)cc1 1141799417 JKDDRQQGCXRRPZ-JOCHJYFZSA-N 438.936 4.554 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 1147166613 RRIMVDRRLSLZRO-WMZHIEFXSA-N 426.582 4.969 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 1153569112 YWEWDSARSKZRJS-UHFFFAOYSA-N 429.524 4.874 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C)c1ccccc1 1158670661 WLOMTKYNJDVPQI-UKPGIYTDSA-N 440.565 4.901 30 10 IJEE C=CC[C@@H](Sc1nc2sc(CC)c(C)c2c(=O)n1-c1cccc(OC)c1)C(=O)OC 1164637415 IWAQUBWMSISBSZ-QGZVFWFLSA-N 444.578 4.536 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 1216814622 JLYJFTJYPWVBNC-LJQANCHMSA-N 425.916 4.847 30 10 IJEE N#Cc1cccc(C2(NC(=O)Nc3nnc(-c4cccc(OC(F)(F)F)c4)s3)CC2)c1 1217613928 HXNLNZLZZZGICZ-UHFFFAOYSA-N 445.426 4.786 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C(C)C 1217731240 JVCXKRBDPGGEDZ-JOCHJYFZSA-N 448.615 4.862 30 10 IJEE Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 1221718939 FEHXLQFTDBETFO-OIBXWCBGSA-N 436.987 4.956 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 1251830688 KXMNFJSOZBUFFH-FQEVSTJZSA-N 441.959 4.593 30 10 IJEE C=CC[C@@H](CC)NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1270621824 CAHGQIFYOHSFSJ-OAHLLOKOSA-N 446.473 4.905 30 10 IJEE CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1271738302 BKIQWPGFISVRKP-NRFANRHFSA-N 435.524 4.742 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSC[C@@H]1C 1286357478 VXTDSVIRZUUDFO-AWEZNQCLSA-N 425.385 4.519 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC(F)(F)F 1286463018 FGDCEBBXCXMIER-UHFFFAOYSA-N 435.277 4.680 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1286679197 LWKJPPGHBRHVHT-FGZHOGPDSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[C@@H]21 1286686259 DYNNGSQNBZULDC-UXHICEINSA-N 429.609 4.738 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286707244 ZIWLOEXEDBUGKX-XUVXKRRUSA-N 433.021 4.909 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@@H]1C)C1CC1 1286731950 HEISAAJJXNNZCR-ZWKOTPCHSA-N 429.996 4.711 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CC(F)(F)c1ccccc1 1286764410 OOMUXWMRIADJKS-UHFFFAOYSA-N 437.494 4.904 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccnc1Oc1cccc(F)c1 1287439405 GBXVTAAXLSTCJI-RUZDIDTESA-N 448.546 4.981 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC1 1287604995 BFBDZNXRDHUMFF-HXUWFJFHSA-N 444.624 4.569 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl 1294212247 ZQBIVAAPDYSADY-LSDHHAIUSA-N 429.344 4.793 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1297713936 XJCSIOJXCVZIBZ-QGZVFWFLSA-N 448.947 4.938 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1299260757 VCJPYIODIOPZEB-JOCHJYFZSA-N 438.524 4.544 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CCCCC2)C1 1300927527 LPEMTCIQRYTQEA-UHFFFAOYSA-N 427.980 4.598 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCOC2(CCCCCC2)C1 1300997012 NCIPXTMAZFCUBO-UHFFFAOYSA-N 438.616 4.586 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1301074653 FYPISGWFCKRCBD-YLJYHZDGSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1301146242 XJKXISFMDUBJMK-UHFFFAOYSA-N 426.515 4.728 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1)c1ccccc1 1301165828 LEDNZFDMDLLMBD-GOTSBHOMSA-N 440.632 4.857 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1301433073 JIXNOLGVEPKVDP-ZBFHGGJFSA-N 444.885 4.642 30 10 IJEE Cc1ccccc1C1(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2C(C)(C)C)CCOCC1 1304520785 GCUMHCSCMXKMPL-VWLOTQADSA-N 435.616 4.763 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1306566627 HSWSAPQWOIXZAJ-HXUWFJFHSA-N 443.599 4.794 30 10 IJEE C=CCn1c(Sc2nc(OC)cc(C(F)(F)F)n2)nnc1-c1ccc(Cl)cc1 1306921439 SDCHJJCSCFWABT-UHFFFAOYSA-N 427.839 4.753 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1311613923 VHIDGVLWNPAEDT-IBGZPJMESA-N 445.585 4.720 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1)c1ccc(F)c(F)c1 1311851137 PSKOENYXUBPEIH-IERDGZPVSA-N 435.902 4.822 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(Br)ccc2OC)CCCN1C(=O)OC(C)(C)C 1351275242 MUYAONAMGYFRQD-HXUWFJFHSA-N 439.350 4.742 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccccc1O[C@H]1CCOC1 1358208298 MWLQHWBINUSXRB-IBGZPJMESA-N 448.332 4.513 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(CCC)CC1CC1 1359050042 DUSGKCVTRWPKKQ-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C1CC1 1359074842 SNTJTAIYXNLMQQ-UZUQRXQVSA-N 444.048 4.699 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1359125350 AEFWCUYRDRIZTA-NJDAHSKKSA-N 428.577 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1359183144 DMSNKTJODDKBKO-HXUWFJFHSA-N 425.621 4.896 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1sccc1Br 1359196793 SYZQCXWTUQVTMG-OAHLLOKOSA-N 439.423 4.837 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(F)(F)F 1359203423 OXHBNPRPGLGEOJ-INIZCTEOSA-N 445.530 4.747 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)CC=C)C1 1359318745 LJRLHYVTNPYRER-HXUWFJFHSA-N 433.556 4.984 30 10 IJEE C[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccc(Cl)cc1 1360577500 BVHBVMCJEJNAPB-OPAMFIHVSA-N 431.943 4.574 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 1361189585 IGTBBMVLHGNMPN-RLWLMLJZSA-N 441.616 4.686 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](F)C1 1452910584 JCDHXSSTUNQZDR-HOYKHHGWSA-N 436.527 4.820 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 1465535815 YEOIGSHHEVKFAG-HTAPYJJXSA-N 425.504 4.654 30 10 IJEE CC(C)(C)c1nc2ccc(NC(=O)N3CCN(c4ccsc4C#N)CC3)cc2s1 1465776467 GYKYYZDVEALEMG-UHFFFAOYSA-N 425.583 4.881 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1ccc(F)c(F)c1 1469857588 VYZHXXVMOBITPW-VSKRKVRLSA-N 427.495 4.622 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCCc1c[nH]c2cccc(Br)c12 1470411108 XNOVOSXXPWYFRI-SFHVURJKSA-N 426.358 4.960 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC 1471056817 IXGSDCKSOQYMBX-XYELWLDHSA-N 444.572 4.569 30 10 IJEE C#CCn1ccc(CN(CC)C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)n1 1473439379 CXWXDKNVIWAAEE-HSZRJFAPSA-N 438.369 4.501 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-n3nncc3C)cc2)cc1OC 1474191180 OCADSXFMFKNPDI-UHFFFAOYSA-N 429.318 4.524 30 10 IJEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1c(C)cc(C)cc1C 1474974570 TWVJVKIHTAAAOP-LJQANCHMSA-N 448.382 4.522 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)c1ccccc1 1475627503 RKBDTFVPOZWCFG-MRXNPFEDSA-N 426.460 4.563 30 10 IJEE C=C(C)CN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1 1475903357 YOQQDPHRNOKKRX-UHFFFAOYSA-N 449.548 4.688 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1477408954 MCRLSFMYDVGLPI-FUHIMQAGSA-N 441.538 4.900 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1cc(Cl)cc2c1OCC2)c1ccc(Br)cc1 1478897301 XQNZASQOBDFNCI-KZULUSFZSA-N 433.733 4.772 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1CCC(C(F)(F)F)CC1 1507541335 LVMNEONCGBJYGI-KKXNLOMOSA-N 448.533 4.899 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](c2ccco2)C1 1507573223 CVXHMYUTXHGJHP-IBGZPJMESA-N 436.581 4.969 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1c(F)cccc1F 1507606866 ZYPGMTYHSSHIIC-OAHLLOKOSA-N 426.536 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCN1CCCC[C@H]1C 1507609308 QSNZSJHXTKQAJD-QGZVFWFLSA-N 434.415 4.976 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCC1(F)F 1507660427 TUVJDSYDAZVALA-RBUKOAKNSA-N 444.501 4.846 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)CCC 1507797575 SDNHNKDAIDEHLN-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1507798317 NVSPXWLPMGOECF-AKFKNWHVSA-N 440.632 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507913261 PXDLMXQCQMWSMS-UHFFFAOYSA-N 448.615 4.723 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507930847 JNDRLZDZAYALNG-OALUTQOASA-N 442.608 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)c1c(C)noc1C 1508020575 IWKRURZNUCSVNL-QGZVFWFLSA-N 430.556 4.937 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CCC(C)C 1508025639 OXMMKBYLZILSFX-UHFFFAOYSA-N 432.366 4.910 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)CCc1cccs1 1508105569 OSOUDDQQXDTRJL-UHFFFAOYSA-N 433.581 4.637 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)C1 1512102042 HGJHANMTTVDXPZ-HZEGPAAWSA-N 425.552 4.882 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](c2ccc(F)cc2F)C2CC2)nnc1-c1ccco1 1514636336 ZGDYHRNZTCWDJU-FQEVSTJZSA-N 444.507 4.752 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3OC)cc2C1=O 1526498092 BWYSDPASUGIJGX-UHFFFAOYSA-N 428.444 4.522 30 10 IJEE C#C[C@H](C)NC(=O)c1cc(/C=C\c2cccc(OC)c2)nc2ccc(Br)cc12 1528047590 MDAKJGZIXKYXEX-WWRUEGTHSA-N 435.321 4.928 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)cc1 1529257987 DJKGPSGINSOBBX-OAQYLSRUSA-N 435.524 4.725 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)CCCN1C(=O)OC(C)(C)C 1531113152 IAIWDYAPXLUQGM-JOCHJYFZSA-N 447.557 4.598 30 10 IJEE C=CCN(C(=O)[C@@H]1CCCC2(CC2)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531952602 JQOSHJXMHIRJEW-QGZVFWFLSA-N 430.595 4.703 30 10 IJEE C=CCCCCCCNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1532066715 DIASEWRBSIZFRQ-SFHVURJKSA-N 444.572 4.832 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 1532103262 HFNSLCYBIWHNFC-UHFFFAOYSA-N 426.394 4.966 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1)c1ccc(Cl)cc1F 1535505253 UMVIHEXWYKBTLJ-ARNLJNQMSA-N 447.941 4.580 30 10 IJEE C=C(C)[C@@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)c1ccc(F)c(F)c1 1537693204 YGYTYEZBZIHZBK-XMMPIXPASA-N 427.447 4.754 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1539103544 WVYDSEHVZNHFTO-QUCCMNQESA-N 442.007 4.533 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1539811065 ACWDUIBVIJZXPX-OAQYLSRUSA-N 442.032 4.784 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1539926275 KNJJDSRWNGKZCF-DEOSSOPVSA-N 426.630 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC=C(Br)C1 1539926505 OOQOZNPETCKJJV-UHFFFAOYSA-N 445.405 4.991 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1)c1ccccc1 1539947815 LXZBXZCTZBTQCP-QFIPXVFZSA-N 448.590 4.697 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1csc(CC)n1)C1CC1 1540095091 MESRJULVKFMSDO-OAHLLOKOSA-N 427.549 4.779 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1C[C@@H]1C 1540127046 NTLLNTPVPUFILC-JBJBFBLISA-N 433.600 4.917 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCC[C@@H]1C 1540184604 GGKRDHIOWKEPBK-MHECFPHRSA-N 440.975 4.978 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CC[C@H]2CCO[C@@H](C)C2)cc1 1542467288 GTIFPKCCXIKBNZ-UNMCSNQZSA-N 437.588 4.501 30 10 IJEE C#CC[C@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)CCCN1C(=O)OC(C)(C)C 1544083351 GAPKJOKATJTKGS-GBXCKJPGSA-N 432.992 4.989 30 10 IJEE CCN1CCC[C@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H](C)CC#N 1547678649 HRFCIHZCJIXTQK-RTWAWAEBSA-N 438.620 4.512 30 10 IJEE CCOc1ncccc1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1548008720 ACBTXTFAJGEJJJ-NVQXNPDNSA-N 444.583 4.792 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 1556519009 ZNBBSRKTHJFNNC-INIZCTEOSA-N 440.893 4.999 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3F)CC2)c1 1565004914 GDAAGBKIHOQUOE-DEOSSOPVSA-N 438.522 4.738 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2)cn1)c1ccc(Br)cc1 1583565925 OLYDQPMIGXSSKS-IBGZPJMESA-N 425.257 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1588271293 HPXIVQOZYCCBMU-LEWJYISDSA-N 447.608 4.818 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C(C)C)N1CCCC1 1588280006 DINBDSQVWFSEPO-NRFANRHFSA-N 439.673 4.855 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC(CC)(CC)OC 1588481026 FFMZLITVPHFZGQ-UHFFFAOYSA-N 435.547 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)[C@H](C)CC 1589150727 JTWQBUZKJULJCR-GRJZNYKUSA-N 445.007 4.861 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(CC)C1 1589506579 YHJGNYGSWDNIQZ-RZTXVSJASA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1c(C)noc1C 1589742452 PSJMQMHYXKDEHV-UHFFFAOYSA-N 430.350 4.833 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1Cc2ccccc2[C@H]1C 1593825876 DVLMZVIMWFAZMP-CYBMUJFWSA-N 432.753 4.880 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1593900612 PFUJFPCZBOVFKZ-UHFFFAOYSA-N 426.870 4.523 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1594497305 FETMMDBBAZSSOE-IBGZPJMESA-N 431.669 4.848 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1594582408 QCVHRLZKXCDLHW-UHFFFAOYSA-N 436.991 4.979 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCC2(C)C)C1 1595729425 MGPKWJIHDHIGFL-MSOLQXFVSA-N 430.543 4.755 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)c1 1596615476 WTGJAZBWRHKJTJ-GGAORHGYSA-N 447.000 4.886 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1597218380 YJTDIASRCAKZLF-OAQYLSRUSA-N 426.532 4.866 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(F)(F)F 1597485354 MEZVDKATWZZBQM-OAQYLSRUSA-N 446.469 4.881 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3ccc(Br)c(F)c3C2)cc1OC 1598136757 WRJJVTGCSPIKQB-WEVVVXLNSA-N 446.316 4.760 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCCC2)C[C@@H](C(F)(F)F)O1 1612916637 DADBAXLVJSULCC-UZLBHIALSA-N 447.505 4.943 30 10 IJEE C=CCn1c(SCc2c(Cl)cccc2C(=O)OC)nc2sc(C)c(C)c2c1=O 1613269526 BQIXBTNKNWBCAM-UHFFFAOYSA-N 434.970 4.993 30 10 IJEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CCC(F)(F)CC2)cc1OC 1616330502 AJCWRLYPGBSFKS-MRXNPFEDSA-N 447.530 4.774 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(CC(C)C)c1C(F)F)c1ccc(Br)cc1 1623412551 MWYVTSZWVKERHW-CQSZACIVSA-N 425.277 4.735 30 10 IJEE C=CCn1c(SCC(=O)N2CC(F)(F)CC[C@H]2C)nnc1-c1ccc(Cl)cc1 1623427154 IWDXMWUQLBWZGN-CYBMUJFWSA-N 426.920 4.523 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 1627338774 YATMEUUMEDAQCS-IMJJTQAJSA-N 432.870 4.713 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc(OC)c1OC 1630469519 ZQBSAOUULRMYFL-AREMUKBSSA-N 434.536 4.582 30 10 IJEE C=C(C)[C@@H](NC(=O)N1Cc2ccccc2OC2(CCOCC2)C1)c1ccc(F)c(F)c1 1634438724 DUIYFUCSSXIGGG-JOCHJYFZSA-N 428.479 4.735 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1639668549 BHQJXVIQQDCHFA-ZDUSSCGKSA-N 427.353 4.879 30 10 IJEE C=C[C@@H](CC)CC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1641042654 IUTCNJXFHLHNEV-IBGZPJMESA-N 428.573 4.780 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccco1)c1ccccc1OC 1641975159 OHQIBMAKJUYTNG-QFBILLFUSA-N 434.920 4.530 30 10 IJEE C=C1CCC(CNC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 1644301795 BFLDBPXMYBUGKF-UHFFFAOYSA-N 440.609 4.751 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2n1 1652527541 ASXLDGMNBSNPBM-ZWKOTPCHSA-N 426.561 4.834 30 10 IJEE Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)c1cc(Br)ccc1C#N 1654818528 DPYRVIRQTDYHST-GFCCVEGCSA-N 442.404 4.591 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1cc(C(F)(F)F)ccc1Br 1659600384 HNZVMDHTNBTMKH-UHFFFAOYSA-N 445.210 4.941 30 10 IJEE C=CCc1cc(CN[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc(OC)c1OC 1661353777 ILGYBTNLKWAGJZ-PWRODBHTSA-N 430.589 4.558 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1)c1ccc(Cl)cc1 1670212196 BKVYMZOYUAQROI-HXUWFJFHSA-N 430.957 4.861 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 1670415012 NOHRSEJEUHAFMV-KRWDZBQOSA-N 430.373 4.956 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)OCC)c2)c1)c1ccccc1 1670627969 DIISZTQQBUVOTO-QHCPKHFHSA-N 441.487 4.612 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCN(Cc2ccccc2)CC1 1670844690 AJXFSKAQCDGKCS-UHFFFAOYSA-N 444.373 4.754 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1 1671013949 AGHDFCDIXHTYKR-MGPUTAFESA-N 433.346 4.589 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1 1677504023 FJWXEHYZMUTYMM-WOJBJXKFSA-N 427.932 4.580 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 1678668657 UDYXCPSKOKQUEA-OAHLLOKOSA-N 435.362 4.914 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1680284233 KQIOXJCWCZJURB-KRWDZBQOSA-N 440.244 4.752 30 10 IJEE C#C[C@H](NC(=O)NCCOCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1F 1680936522 VQMLZNMCJOWRFK-SFHVURJKSA-N 429.706 4.976 30 10 IJEE C#C[C@@H](NC(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1)c1ccc(Br)cc1 1686920032 RLRNBJDSDPHQRU-IIBYNOLFSA-N 429.358 4.652 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCC(OC)CC1 1689838279 XCEGGSDZRKSCCK-LRYGQEGESA-N 445.405 4.679 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1689946208 NLUSJYAIAUVJKC-VQTJNVASSA-N 444.023 4.509 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1CCC(C(F)(F)F)CC1 1689975084 JLJNXMLTPUBTRE-UHFFFAOYSA-N 440.897 4.949 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCSC(F)(F)F 1690009152 WGNILHHUPUEXQX-UHFFFAOYSA-N 433.286 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1690236235 KDHDSTSPVRAYIB-CZAYHTPWSA-N 428.577 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1690241933 ZBONOPNCAACSSK-NSHGMRRFSA-N 429.996 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccccc1C 1690243553 MHGMDNXYGIDBPC-VWNXMTODSA-N 431.584 4.965 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CSCCS1 1690256218 GTZXXUOBMKTIEH-IAGOWNOFSA-N 436.622 4.808 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1690258448 GLNBNDISQPSXFG-SFHVURJKSA-N 443.592 4.612 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690280261 BGGUGPKBVFROBZ-RTWAWAEBSA-N 440.588 4.714 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1690280356 IACSJZIPDYVUCD-TZIWHRDSSA-N 446.599 4.591 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCCc1ccccn1 1690330680 LATBUEHHURZXLK-UHFFFAOYSA-N 446.780 4.924 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1690369575 PPEOPWHPCLOPML-WMZHIEFXSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2CCOCC2)CC1 1690402670 LLPCMANUONYQSR-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@]1(OCC)CCOC1 1690439547 IZNATOFWGYYNOZ-KOSHJBKYSA-N 430.568 4.869 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690451402 FXJGDORSTQLSEF-GOTSBHOMSA-N 435.616 4.768 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCC 1690500385 TYLSHVKNMPFEHA-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)N1CCCCC1)C1CC1 1690550115 PHEGHMHSXHRZEA-UHFFFAOYSA-N 437.632 4.893 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690738317 JCWQCFBTUHUIEF-UHFFFAOYSA-N 446.983 4.695 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1Cc1ccc2ncccc2c1 1692346461 FUAHIIMFAWUXTB-HSZRJFAPSA-N 432.572 4.882 30 10 IJEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1693709552 FWIWZIFESRLLNM-SFTDATJTSA-N 434.632 4.810 30 10 IJEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1)N1CCCC1 1694385748 BXUSNECFVIYBOP-OAQYLSRUSA-N 434.613 4.698 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C(C)(C)C)cs1 1705542333 DGRXNIOLDUJDLB-HNNXBMFYSA-N 444.004 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(N(C)c2ccccc2)CC1 1705695715 YCMMPSPPWIGLPF-LGVFNWMJSA-N 437.632 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705702513 NBZYKOQOVMGUIE-KQZHTCIUSA-N 429.008 4.986 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)OC1CCCC1 1705710288 WVDCGHQRLNRXQU-GBXCKJPGSA-N 440.588 4.766 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC2(CCCC2)C1 1705745518 CHDQEFXBRTZQQG-UHFFFAOYSA-N 446.979 4.884 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1705783682 PVTCBRRTDKONBB-UHFFFAOYSA-N 447.583 4.512 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1705814326 LWTQPGQDZHVCSQ-SFHVURJKSA-N 441.526 4.974 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705815535 ZLVQHNNZRRGLNA-UHFFFAOYSA-N 434.569 4.957 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCCCC2)CC1 1705820772 YOHWFEPDDXGALN-UHFFFAOYSA-N 429.559 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1ccc(C(=O)NCC)cc1 1705866055 GFRARSMTEHNCQB-UHFFFAOYSA-N 449.624 4.988 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1705947675 UIFBFNVHGYFCHF-UHFFFAOYSA-N 448.640 4.572 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H]1CCO[C@@H](C)C1 1722344311 OBGLOMVLXWQFGD-HKUYNNGSSA-N 435.597 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)CCC(C)C 1722467194 OBMGNEALCLIGIP-QTLGCAHFSA-N 442.579 4.737 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)CCC 1722496233 WHAMXULBDLAMDR-MAUKXSAKSA-N 436.398 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)nnc1C(C)(C)C 1722498858 FOYHRBNPLQOWOX-SMIHKQSGSA-N 447.627 4.888 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N(C)CC1CC(F)(F)C1 1722507188 WYHPYKXSFPRJPE-UNMCSNQZSA-N 430.543 4.526 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(CC)Cc1ccccc1C 1722510162 QGFLVMZJGXTISI-RCZVLFRGSA-N 431.584 4.580 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1722581966 IIDRCLOLUYMUPE-QFIPXVFZSA-N 437.632 4.688 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@](C)(CC)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1722598157 ZZGGSKUGYNQSJR-ZSQFBXSQSA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1722603676 LECUMZCIZXDIQB-LJQANCHMSA-N 429.996 4.508 30 10 IJEE C=CCN(c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](F)COC)C1CC1 1722646633 SVNMECBTNGIAJL-KRWDZBQOSA-N 430.524 4.952 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)s1 1722656082 PUJIIGAVKVIERZ-XMMPIXPASA-N 438.597 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](CC)c2ccccc2)n1Cc1cnn(C)c1 1722661435 FMGPZUJZXPZOHB-JOCHJYFZSA-N 432.597 4.856 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1oc(CC)nc1C 1722663063 SQMHSAPOIAOXPN-UHFFFAOYSA-N 434.569 4.810 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCCC(F)(F)C2)C1 1722716324 UGYUCXPJYHAHRY-OALUTQOASA-N 446.542 4.951 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1740571013 MHZQINDCRJLSME-LJQANCHMSA-N 435.959 4.763 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1csc(Br)c1 1740848027 AEQARROHXFUAOR-OAHLLOKOSA-N 439.423 4.845 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(Cc2ccsc2)CC1 1740864374 JOEAVAVZVWKOJY-UHFFFAOYSA-N 439.604 4.748 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740868285 IEOXITGCWXBSEI-AVRDEDQJSA-N 428.552 4.919 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C2CC2)C1 1740877083 YLFPPFIDSLMTAY-HXUWFJFHSA-N 429.609 4.595 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCCc2cccnc21 1740895381 YQTBJQHWJSGCJT-NRFANRHFSA-N 447.583 4.880 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC=CCC1 1740919272 AHSQATAFAQUGNN-NLFFAJNJSA-N 440.563 4.618 30 10 IJEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1740947587 QCGSOILSDOPKQF-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1748781113 XVJWUWDMJARTOZ-HXUWFJFHSA-N 430.618 4.590 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[C@@H]1C 1748876333 BYZDPPFIQSOAKI-RBBKRZOGSA-N 434.584 4.640 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H]1CCO[C@@H](C)C1 1748915025 NMELVBPHMAGVJV-JKSUJKDBSA-N 449.368 4.511 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CCOCC)CCCC1 1748939184 SGYBHXNCIKOFLL-NHCUHLMSSA-N 430.637 4.643 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1749038673 WISAPORPNITSBH-SFHVURJKSA-N 431.675 4.807 30 10 IJEE C=C(C)Cn1c(N(CCC)Cc2ccc(F)cc2F)nnc1[C@]1(OC(C)C)CCOC1 1749207065 BDTKDZRGHHULOD-QHCPKHFHSA-N 434.531 4.590 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1749345473 JNPRFJVHYFKTLL-OAQYLSRUSA-N 431.625 4.574 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cscn1 1749448019 SAPNBUQZVWTYGV-MRXNPFEDSA-N 443.642 4.817 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccsc1 1749538409 INUIIXPKGQQOOF-DEOSSOPVSA-N 431.565 4.502 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@](C)(OC)CC1 1749689791 KJJGLDFMQQMLRE-AREMUKBSSA-N 447.583 4.657 30 10 IJEE CC(C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1750616632 BKAWRJCGRXWSEC-UHFFFAOYSA-N 438.576 4.927 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1760097604 HRCHJRCFYYQWDN-NTLWEQJWSA-N 430.980 4.591 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1sc(C)nc1C 1760098091 OHTHKKWFXBODJF-DZGCQCFKSA-N 429.977 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1OCC(F)(F)F 1760106704 MVGFJNZCNRBITE-OAHLLOKOSA-N 432.446 4.602 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760132489 JHEPXPGJIZXCES-OAQYLSRUSA-N 444.526 4.637 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1760133639 LCIDAPXUFLXDIA-HXUWFJFHSA-N 439.922 4.514 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1760328440 VRAVVIGLHLYBMB-VLCRHTCISA-N 446.542 4.806 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1760404438 ANQDFAICIDFNDG-JOCHJYFZSA-N 425.621 4.544 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCCC1)c1ccccc1 1760416905 PYXZZVYWLLAXCJ-QFIPXVFZSA-N 444.583 4.912 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1)c1ccccc1 1760418532 UHMPATRTWMDFHD-GOTSBHOMSA-N 435.616 4.648 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760432316 LDIVVQPIMKEDGI-IEBWSBKVSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760484670 HLKDJXNYEMMFOZ-GOSISDBHSA-N 445.583 4.818 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(C)C)C1 1760538850 HJCFESIGDBPZFL-QGZVFWFLSA-N 449.393 4.544 30 10 IJEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1765127547 DZLLDVMRZPRIER-XAPVIXHLSA-N 437.588 4.559 30 10 IJEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1765197628 DEVQONHDQIWOPY-GBXCKJPGSA-N 444.583 4.800 30 10 IJEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CCc1sccc1C 1768913197 GROBIWSPIYASCH-UHFFFAOYSA-N 435.597 4.620 30 10 IJEE CC(C)c1ccc(-c2cc(O)nc(N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)n2)cc1 1858553843 XLCCFDJAWHTPRD-UHFFFAOYSA-N 441.535 4.699 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)NCc2ccc(OC(=O)c3cccc(C#N)c3)cc2)c1 1859030747 YWVPEQKTXWPMKV-SDNWHVSQSA-N 440.499 4.894 30 10 IJEE COc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3oc(C)c(C(C)=O)c3C#N)oc2c1 1859759349 AEGZCOPZCFHRNV-UHFFFAOYSA-N 442.427 4.697 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CC2)cc1 1862408043 CKJAQUMFJTXISG-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Br)c1 1862409194 FCWLWIJSSTXZAR-IBGZPJMESA-N 444.325 4.754 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c(F)cccc2Cl)ccc1F 1862504828 CZMOWOUNYYEQKI-FQEVSTJZSA-N 449.881 4.930 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862510889 GTWNSLRXJPECGG-JOCHJYFZSA-N 441.499 4.917 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862532377 BYDAXQGJLUSAEH-DEOSSOPVSA-N 437.499 4.904 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc3ccccc23)c1 1862560974 LCZRJSRHTLKQOZ-DEOSSOPVSA-N 435.483 4.596 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@@H]1c1cccc(F)c1)c1cccc(O)c1 1862590235 DSSMYRQUXCFHSS-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862594851 HXDPOCLGAHJEQO-QHCPKHFHSA-N 428.488 4.689 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Cl)c1ccc2c(c1)OCCO2 1862607550 RPGLHBNGOPCSSE-NRFANRHFSA-N 439.895 4.632 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCc1cnc[nH]1 1862648975 ODCRTPOVMMKZOT-XMMPIXPASA-N 437.499 4.692 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680705 IFXOJUAUMIMGAC-ZMZPIMSZSA-N 432.835 4.764 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)c1 1863297267 MBDLNQNNTFTWCQ-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863321127 OFAHJSOXJVJQQF-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1 1863445512 CIJUDSLUWFAXFN-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863452648 RXIMRFWTKHIXBQ-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CC[C@@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1cccc(C#N)c1 1866881131 WQUWNIZNQVVDCO-OAQYLSRUSA-N 438.487 4.822 30 10 IJEE CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C#N)nnn2Cc2c(F)cccc2Cl)cc1 1870106082 VYGOSWPPGLYBPI-AWEZNQCLSA-N 441.894 4.520 30 10 IJEE Cc1ccc(C)c(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H]2CCCO2)c1 1871251951 DMJXYZDRDVPCNN-DEOSSOPVSA-N 443.547 4.707 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O)NC1CCCCC1 1871438236 RJSARGXUPRQVID-MTJSOVHGSA-N 443.446 4.732 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450920 VINVIGOKOARXAP-VUZLNAKASA-N 430.416 4.617 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1)S(=O)(=O)C1CC1 1871802056 VRXBKWPRCWHIQT-NRFANRHFSA-N 432.973 4.699 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1cccs1 1871818660 RNMGUROFUJRIGF-NRFANRHFSA-N 434.627 4.931 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871993946 NNORVPRZNWNDNT-DEOSSOPVSA-N 434.561 4.860 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872084835 AWUYDSGIGRNDGB-UZUQRXQVSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)C(C)C)S(=O)(=O)CCCC 1872154469 RJLIJBNHRWNFFP-QHCPKHFHSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccccc1 1872178808 QVKWANVUFMFSCU-HSZRJFAPSA-N 444.597 4.850 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872237492 NKWMEYGDKYIACM-FQEVSTJZSA-N 434.989 4.941 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1 1872769695 XVEMILPHVCREJG-PZJWPPBQSA-N 429.545 4.652 30 10 IJEE CCOc1ccc(-c2nc([C@H](C#N)C(=O)CN3CCc4ccccc4C3)sc2C)cc1 1872800293 QCGCVTRJOIOLDH-JOCHJYFZSA-N 431.561 4.752 30 10 IJEE COc1ccc(-n2ncc(N/N=C/c3cccc4ccccc34)c(Br)c2=O)cc1 1873525874 CAQSCPFAWZQCRQ-ZMOGYAJESA-N 449.308 4.603 30 10 IJEE OCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874234710 VOYLDEQKZSHIQV-PCLIKHOPSA-N 436.968 4.837 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874279695 PKCQXLMISXMQAE-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1cccnc1 1874346562 VJXQSUIZRGRWCK-WGOQTCKBSA-N 433.512 4.608 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc1OC 1874446155 UOPYWVVLNFWLAW-FBTHGLLTSA-N 438.553 4.711 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2ccccc2)nnc1C1CCC1 1874495244 BFSYDCVGTPOPGN-ZVHZXABRSA-N 438.553 4.746 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cccc(Cl)c1 1874503309 BDNFEERJWWWGIY-YDZHTSKRSA-N 427.961 4.805 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(Cl)cc1 1874512395 VRLVLFJTRGVUHS-FSJBWODESA-N 427.961 4.976 30 10 IJEE CCCCOc1ccccc1/C=N/n1c(S)nnc1Cc1ccc(Br)cc1 1874570135 NLIJCNHARKMWNJ-HYARGMPZSA-N 445.386 4.981 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)c1OCCO 1874609896 QAHWUQUGQGGHDB-VOTSOKGWSA-N 425.706 4.768 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1890959096 PSVMVOFTBPVVLM-UWJYYQICSA-N 428.454 4.506 30 10 IJEE O=C(c1cc(F)c(F)c(F)c1F)N1CCC(COc2ccnc(C(F)(F)F)c2)CC1 1891381645 LVKXVFLJTPNTRJ-UHFFFAOYSA-N 436.327 4.588 30 10 IJEE CC(C)(C)C[C@H](CNC(=O)OC(C)(C)C)COc1cc(Br)cnc1C#N 1903447969 KXYBXTWLKIXKCL-CYBMUJFWSA-N 426.355 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1907891451 SETYIXHPWQZHPO-CKNLXJGOSA-N 447.498 4.714 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]2(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1930036681 WRQQDLCFBKLREX-WZOHSFFVSA-N 441.572 4.963 30 10 IJEE C=CCN(CC(=O)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1930730989 MCTGRADQOOAXNV-UHFFFAOYSA-N 433.140 4.817 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1944716914 IELADBAKNVLOSN-RTBURBONSA-N 431.533 4.728 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 1950332803 QTPOQGLOVJMFKN-JWQCQUIFSA-N 427.589 4.597 30 10 IJEE N#Cc1sc(=Nc2ccc(Cl)c(I)c2Cl)[nH]c1Cl 2032933283 MMBNBFJYCUXRLU-UHFFFAOYSA-N 430.485 4.745 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CN(Cc2ccccc2)C2(CCC2)C1 2037922289 HJFNVXPKZQIREA-IXCJQBJRSA-N 434.624 4.687 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2047968383 RBTIZMZSPYRHBM-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3ccc(N4CCOCC4)cc3)c12 2053589509 JXZUCYMBUUWOIT-UHFFFAOYSA-N 426.520 4.516 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(Cl)c2C)C1 2082808360 IHLTXYLJTPTYLU-UHFFFAOYSA-N 429.742 4.963 30 10 IJEE C[C@@H](Nc1cc(Br)cc(F)c1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2107452426 XPEPIQXNYHBGBF-CHWSQXEVSA-N 426.330 4.907 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1c1cc(Br)c(C#N)cc1F 2133668664 XHQFDALYAGAVOA-LBPRGKRZSA-N 426.330 4.684 30 10 IJEE CCC[C@]1(C(=O)Nc2ccc(C#N)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2181136651 WNCBLQWZSVDEFH-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181137248 ZOUZYYJNPVMABQ-DYVFJYSZSA-N 436.350 4.685 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2184354671 LUHVNUXBMHPYLB-RUZDIDTESA-N 448.460 4.766 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2200693452 NBLVYGBKEKTDJZ-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE CN[C@](C#N)(COc1c(Cl)cc(Br)cc1Cl)C1(Br)CC1 2206662737 VNLLLVKZBKVMBS-CYBMUJFWSA-N 442.966 4.544 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)c1c(NC(=O)OC(C)(C)C)cc(OC)cc1OC 2217399129 ZLAYRUGSVVLITM-JOCHJYFZSA-N 429.513 4.857 30 10 IJEE CCc1ccc(C#C[C@@H](C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NC)cc1 2223322503 SHHRCHGMMDHXPG-DQEYMECFSA-N 436.596 4.689 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2235719921 GTZAXFKSVJFKLU-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE C=C(C[C@@H](NCCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)OC 2237402777 NUZWGFACNHBDLS-MOPGFXCFSA-N 441.410 4.803 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241651158 ZYUBSUBSQZQFAC-UHFFFAOYSA-N 442.368 4.532 30 10 IJEE C#CCOc1cc(C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 2243585617 DKOKVRUOPZKBME-UHFFFAOYSA-N 443.455 4.766 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CSCc1ccccc1B1OC(C)(C)C(C)(C)O1 2246707949 SPKKUXDOJQDXSP-GOSISDBHSA-N 433.423 4.619 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)ccc1F 2266066597 QUMJSRHOFHQGNS-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267580819 KNNAPUSGJYGYAA-OTWHNJEPSA-N 442.365 4.619 30 10 IJEE CCN[C@@H](C#CC1CCCC1)c1cc(Br)ccc1I 2273976840 MOHSLPHOKPFEKK-INIZCTEOSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(Br)cc2C#N)[C@H](C(F)(F)F)C1 2281177528 FSGQJOIJZYCBLP-ZFWWWQNUSA-N 448.283 4.745 30 10 IJEE CCN(CC)c1ccc(C=C2SC(=Nc3cccc(C(=O)OC(C)C)c3)NC2=O)cc1 2293927004 SRAQRZRSSJOMJH-UHFFFAOYSA-N 437.565 4.990 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@H](O)C#Cc3cccc(Br)c3)C2)C1 2296230970 YTIOVIQGCSNMGX-IMYXXEESSA-N 434.374 4.589 30 10 IJEE CCCSc1nnc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@H]2c2ccccc2)s1 2296233769 VTHDQQFUDHAIOZ-OAHLLOKOSA-N 443.575 4.728 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)F 2296272591 LKGBXKBJNFPGMU-QZTJIDSGSA-N 441.385 4.810 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)C(=O)C#Cc1ccc(Br)cc1 2296274263 SUKUAZIRKPVHSL-HNNXBMFYSA-N 448.279 4.852 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2296293240 HJMUGPWDLUSRJS-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE CCc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 2296348674 KAQMBPBZAUZKEA-LHSJRXKWSA-N 446.528 4.655 30 10 IJEE CN1CCN([C@@H]2C(=NC3CCCCC3)N(c3ccccc3Cl)C(=S)C2(C)C)CC1 2297382617 PHFWHRMVACZCDR-HXUWFJFHSA-N 433.065 4.861 30 10 IJEE C=C(C)COc1c(Br)cc(C=C2N=C(c3cccs3)OC2=O)cc1OC 2297453150 OIOSHRKMXKYCHP-UHFFFAOYSA-N 434.311 4.819 30 10 IJEE CSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)s1 2297747039 WOHLZVRUMHOYLT-KRWDZBQOSA-N 437.546 4.503 30 10 IJEE CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccccc2)nc1C 2314474464 HDJKABSNGPFZPT-NRFANRHFSA-N 444.512 4.837 30 10 IJEE C[C@H]1[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317346254 FWWNHJPDPCXARD-WMZOPIPTSA-N 429.370 4.536 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(OC)cc2)cc1 2322098981 HKERWFYFCKHPJW-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1)O3)CN(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CO2 2322232068 WJZPIABXQCVQDA-YVXWMLCYSA-N 443.543 4.847 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c(C)c4)ccc3C2=O)cc1 2323247386 QRJSFJJMTUPVFV-UHFFFAOYSA-N 428.440 4.925 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCc4nc(O)c5ccccc5n4)c3C)C2=O)c1 2325204751 CGLFDIJQOPNQSV-UHFFFAOYSA-N 440.455 4.848 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1OC 2325703368 OTWBMNAUTSSAGW-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1cc(C=CC(=O)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 2325717171 HOWVXDXRYAINMQ-HGSOSGBHSA-N 433.548 4.797 30 10 IJEE COc1ccc(OCc2nnc(SC)n2N=Cc2ccc(F)cc2)c(C(C)(C)C)c1 2325815090 UCLUYWGIEPQOGC-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc2c(c1)OCCO2 2328798692 QBHNLTUPZBICJJ-UHFFFAOYSA-N 438.553 4.629 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2330217409 FXCWFJYQZGBNSC-UHFFFAOYSA-N 442.972 4.644 30 10 IJEE COc1ccc(OC)c(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)c1 2331443233 ASPCTEGEHVKVDI-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]1[C@H](C)NC(=O)OC(C)(C)C 2360196111 KCOUTPDNKHYKBC-QLIIJSOBSA-N 435.406 4.718 30 10 IJEE N#C[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]2[C@]1(C#N)C(=O)c1ccccc1 8768249 JPOKHAFLHATZSZ-YWCVFVGNSA-N 447.469 4.951 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)c1 33697733 VXEFMTMLPFLYOT-HSZRJFAPSA-N 430.504 4.741 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)S/C(=C/c2ccc(OC)cc2OC)C1=O 36258307 UGYJFYADCJDHDS-WOJGMQOQSA-N 445.924 4.901 30 10 IJEE C=CCc1ccccc1OCCCn1c([C@H](C)NC(=O)[C@@H]2CCCO2)nc2ccccc21 40196204 ZLTGJEHJNXHRMK-CYFREDJKSA-N 433.552 4.590 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC)c4)cc(C)c3C2=O)cc1 41287622 HEZONVZNADMAHL-UUYOSTAYSA-N 444.439 4.626 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 41289920 PAJYJBABFXGCOC-BKUYFWCQSA-N 434.419 4.987 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nnc(-c2c(-c3ccccc3)noc2C)o1 63381281 MIBHCGVDSNVBSV-UHFFFAOYSA-N 431.452 4.796 30 10 IJEE COc1cc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)ccc1OCc1cccc(Cl)c1 169896657 BTWPMFFRWPOVLG-MSXFZWOLSA-N 426.904 4.580 30 10 IJEE CCOc1cc([C@H]2NC(=S)NC3=C2C(=O)CCC3)ccc1OCc1cc(C)ccc1C 169939005 PEGHHDQXDOVJFE-XMMPIXPASA-N 436.577 4.807 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C 169975667 CWKVDWGIIBLOFE-QHCPKHFHSA-N 434.580 4.741 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1cccc2ccccc12 170046101 NBRFNHYLDJUVFG-XMMPIXPASA-N 445.515 4.772 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccccc2)s1 170056553 XTGXYSHBHWAEMS-SFHVURJKSA-N 448.479 4.558 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(O)c2)c1 170079053 CRQXXPOTJGDCMB-QHCPKHFHSA-N 441.439 4.930 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099778 IULBETUSTNLQKS-HSZRJFAPSA-N 441.487 4.918 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccc(C)o2)cc1 170101250 QMRBAVHUKVTHLA-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2sccc2C)c(C)c1 170107566 UVIBBYDFLWIRRK-FQEVSTJZSA-N 443.565 4.767 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2sccc2C)cc1 170107732 AFIHINJEYDLJIO-HXUWFJFHSA-N 443.565 4.849 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(O)cc2)cc1 170132423 LQZYCZULFXEQPQ-QHCPKHFHSA-N 445.471 4.670 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cccc(OCC)c1 170217896 WMSJFGQTISMHOZ-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 170244486 RASJTWOXPIBFJD-QHCPKHFHSA-N 437.536 4.822 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1 170256894 QUYJXIKKGUJZSO-NRFANRHFSA-N 435.501 4.549 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266239 UZROJMDKWFFNCY-HSZRJFAPSA-N 447.487 4.638 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(C)o1 170300906 UAHBWEKYWLBVPD-FQEVSTJZSA-N 439.851 4.739 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(C)o2)c1 170300958 UBVZLLYJVXXIFU-QFIPXVFZSA-N 433.460 4.865 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccncc1)c1ccccc1 170358591 ACEOWCDCSPAXEI-LJQANCHMSA-N 435.277 4.627 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OCC)c2)cc1 170364994 AROXDUFYRFTDCY-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CC(=O)c1ccc(-c2ccc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)o2)cc1 438594870 DWBGONXLZRBQPA-UHFFFAOYSA-N 429.476 4.536 30 10 IJEE CC(C)Cn1c(CCOc2ccccc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460589625 WATGELDVVGGETR-UHFFFAOYSA-N 427.552 4.721 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H]2CCC[C@H]21 460949809 CTHSYVHYIZMPQR-WIYYLYMNSA-N 432.572 4.581 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 476162275 UDKMWZTVSJGVFD-CRICUBBOSA-N 425.573 4.614 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(F)ccc2OC(C)C)nnc1-c1ccco1 481489606 GULBMPOUYKVWAG-UHFFFAOYSA-N 430.505 4.771 30 10 IJEE C=CC[C@@H](CO)NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482344327 JLJNWKYELOMLQT-RYUDHWBXSA-N 438.290 4.564 30 10 IJEE Cc1cccn2cc(COc3ccc(C(=O)Nc4nc5c(cc4C#N)CCCC5)cc3)nc12 484136393 CGPOQZNMBAWXDF-UHFFFAOYSA-N 437.503 4.620 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccn2)cc1OC 526605486 QNGCRFNZFSKXTP-XMMPIXPASA-N 441.487 4.808 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)ccc1O 526706936 CIJCDNWSZLXQTN-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE O=C(O)c1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1 526799586 HFEHPDSDNRQFBV-XYGWBWBKSA-N 428.517 4.742 30 10 IJEE CCn1cc(/C=N\n2cnnc2SCc2ccc(C(=O)OC(C)C)o2)c2ccccc21 526831301 LJRQHGDAXMANBV-MYKKPKGFSA-N 437.525 4.585 30 10 IJEE Cc1c(NC(=O)c2ccc(C(C)(C)C#N)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 549124185 UQWZERVLIOGTBZ-UHFFFAOYSA-N 427.430 4.707 30 10 IJEE C=CCn1c(CC)nnc1N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 554621477 NHSOCBFXWRXJOS-OAHLLOKOSA-N 434.384 4.642 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](COc2ccccc2Cl)C1 555269429 NPUHFMPCZSMIPY-LJQANCHMSA-N 437.975 4.789 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 569142238 HPMAFWPKBKXRHU-UHFFFAOYSA-N 431.584 4.865 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)c(OC)c1 586222891 DGSMMTZSDPAWNZ-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE Cc1ccccc1C(=O)NC1CCC(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 586506010 DJVMPXIPGAKPPR-UHFFFAOYSA-N 429.582 4.739 30 10 IJEE C=CCc1cc(OCC)cc(CN2CCC(c3nc(C(=O)OCC)cs3)CC2)c1O 762098754 NMKUKCYILQJKJN-UHFFFAOYSA-N 430.570 4.532 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)N[C@@H]1CCCC[C@H]1C)=C(/O)c1ccc(C#N)cc1 777512586 GSNPTZHJXLQOIP-RDTXWAMCSA-O 442.992 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3cccc4ccccc34)n2)[C@@H](C#N)C1 778034041 IKCJRLFZQOGQMN-KRWDZBQOSA-N 448.548 4.548 30 10 IJEE CC(C)(C)c1nnc(CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)o1 1084011232 CICXWEQKBNNBHO-UHFFFAOYSA-N 426.333 4.530 30 10 IJEE CCOC(=O)c1ccc(N=Cc2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 1084045091 STXOXGPZDMVFGQ-UHFFFAOYSA-N 432.476 4.640 30 10 IJEE C=CC1(CC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)CCCCC1 1126485294 UMNNHRYAGOAWHC-IBGZPJMESA-N 432.992 4.613 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2ccc(C)nc2Br)s1 1127854429 FUGFMUMTAVPEFZ-UHFFFAOYSA-N 433.780 4.910 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)c1 1129226106 HKROQALYAPFJMG-HOTGVXAUSA-N 430.595 4.558 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2ccnc2O)c1 1136699158 MGIFBUWWVXZHGC-UHFFFAOYSA-N 426.451 4.744 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc(OC)c1OC 1142602688 CWNGNENHWKCLOZ-UHFFFAOYSA-N 427.504 4.701 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(O)ccc(Br)c1C 1159557547 SDRITHGZCPEEBA-CQSZACIVSA-N 427.339 4.651 30 10 IJEE C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1161579008 YIGMWRGDZYXIBF-OAHLLOKOSA-N 436.961 4.719 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1163097220 UCBLUWJBCBASNV-BCHFMIIMSA-N 438.527 4.652 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(F)c2)nc2sc3c(c2c1=O)CCC3 1164587993 NJZITNLSPZIBAW-UHFFFAOYSA-N 449.960 4.656 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](COCC(C)C)c2ccco2)n(-c2ccccc2)c1C 1169101399 BALZAAQRNUOHRQ-JOCHJYFZSA-N 434.540 4.501 30 10 IJEE Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)cc1 1187137441 AMCCGEMRRIWSCL-SFHVURJKSA-N 437.334 4.684 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc2sc(C(=O)OCC)cc2c1 1189383503 QEKHHWQZKQEITL-UHFFFAOYSA-N 445.562 4.777 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)O[C@H](C4CC4)C3)c2C#N)C1 1193974254 AFXOGXURMSGPJS-VPWXQRGCSA-N 429.630 4.599 30 10 IJEE CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1216826923 BPGVPPKKACLPOG-SFHVURJKSA-N 434.540 4.757 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1)c1ccccc1 1230624127 GCRPRJBZAZVBHG-JOCHJYFZSA-N 445.604 4.751 30 10 IJEE C#CCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1264110981 STIVUXNSKPADIG-WZONZLPQSA-N 447.984 4.827 30 10 IJEE COc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)C[C@H](C)C[C@H]4C)n2)cc1 1273946549 HUFFAOCGINQFPK-ZIAGYGMSSA-N 436.537 4.935 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1286327992 LIFBCFAMTDNPGS-UHFFFAOYSA-N 430.543 4.735 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC[C@H](C)N1CCCCC1 1286420821 SUSGFZMJGKFDPC-UKILVPOCSA-N 431.628 4.547 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)cc2Cl)CC1 1286638851 ONXMDUMIUWHMTI-QHCPKHFHSA-N 448.970 4.510 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1286647358 FBDQYNUKVXMLMD-XMMPIXPASA-N 430.600 4.503 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCC(F)(F)F)CC1 1286654527 DCEZXCHALGPHRQ-UHFFFAOYSA-N 446.315 4.791 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCSC1)C1CC1 1286732971 KVQWUQSOKYCSFX-ZDUSSCGKSA-N 437.382 4.755 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCc1csc(C)n1 1286748083 SLIDXHZQATZPLV-UHFFFAOYSA-N 448.571 4.988 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C 1286750725 GEGISMBYNNMHDA-PZJWPPBQSA-N 441.620 4.549 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCSC2)C1 1286801620 DXKHIUIIUSJEJO-WIYYLYMNSA-N 426.630 4.777 30 10 IJEE Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)s1 1290294572 FFBAHMQJNBPOOE-MRXNPFEDSA-N 438.601 4.780 30 10 IJEE C=CC[C@@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccncc1 1293576157 CYIQQMGWEIRVHO-RTWAWAEBSA-N 435.524 4.697 30 10 IJEE C#CCN(CC(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)C(=O)OC(C)(C)C 1297284073 SMWSWKLXRLQMOK-UHFFFAOYSA-N 434.323 4.864 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)C1 1297859003 AEGRSSFOYAEEER-FGZHOGPDSA-N 432.597 4.565 30 10 IJEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(CC#N)c1 1298023458 BDBAWQKUOQKELP-QGZVFWFLSA-N 425.488 4.618 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1300368176 PGVGWRBKCIIAFV-OAHLLOKOSA-N 441.551 4.839 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCC(F)(F)C1 1300570209 ZNZILMKJKIMKIX-IBGZPJMESA-N 426.511 4.632 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H](OC)C(F)(F)F 1300644392 URDLFLAKONLDPR-INIZCTEOSA-N 446.926 4.651 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H](OC)C(C)(C)C 1300648279 BNFCPZZPAAIAQF-QFIPXVFZSA-N 426.580 4.851 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)S[C@@H](C)C1 1300743356 NPUPWTQZFOOUFN-ULQDDVLXSA-N 446.711 4.828 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC=C(Br)C1 1300946076 FMXDMDISECSRFS-UHFFFAOYSA-N 426.318 4.665 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1301257915 GLWXWAOPWPNMQO-QFIPXVFZSA-N 426.605 4.600 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCCn1ccnc1C 1301340128 VPNXLIYLRWTMHQ-UHFFFAOYSA-N 431.588 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCOc1cccc(F)c1 1301362853 KTIPPVJMOVDPDE-NRFANRHFSA-N 442.560 4.992 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCN1CCc2sccc2C1 1301403304 XKVNMDQFXXVXTF-UHFFFAOYSA-N 439.629 4.524 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1301534505 BQHRYPWDMYLFQQ-CZTZKLFOSA-N 437.588 4.548 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(C)(C)OC[C@@H]1C 1301601736 IGIJYVGSCBUBFT-HNNXBMFYSA-N 437.009 4.530 30 10 IJEE C[C@@H](CC#N)N(C)S(=O)(=O)N(C)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1 1309869842 FXUWCDCEXPEJMU-AWEZNQCLSA-N 442.368 4.696 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1309993354 BBYROLWVAXXWHL-QFBILLFUSA-N 440.009 4.771 30 10 IJEE C=CCN(CCC#N)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1310990123 MDTRYBPHYSVRMO-UHFFFAOYSA-N 425.329 4.502 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1311690384 GVQRFBKVFMXCJW-RDGATRHJSA-N 449.595 4.989 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1OC(F)F)c1ccc(Br)cc1 1312436474 KNCBWOSNBBLSCO-BZNIZROVSA-N 441.247 4.924 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 1312934793 RRNJJESSLOLHLD-SFHVURJKSA-N 440.733 4.992 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(N(C)C)c1)c1ccc2c(c1)OCCO2 1348530396 UADUGLCLUZNIJN-UHFFFAOYSA-N 444.531 4.936 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 1350250900 ZCZVCLOMEJRFCY-UHFFFAOYSA-N 437.536 4.651 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)c3ccc(OCC(F)(F)F)cn3)c2)c1 1353768934 HDZYWIZXVUTDND-UHFFFAOYSA-N 427.382 4.726 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 1354096755 MMAYNIPIGRPTPY-DEOSSOPVSA-N 427.479 4.749 30 10 IJEE Cc1nn(CC(=O)Nc2ccccc2O[C@H](C)C#N)c2nc(C(C)C)cc(C(F)(F)F)c12 1357405199 HDLNBGCBBCVAQG-CYBMUJFWSA-N 445.445 4.812 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCc1cccc(F)c1)C1CC1 1358936475 OMYRZSAJWKGDSO-DHIUTWEWSA-N 438.591 4.961 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@H](F)c1ccc(Br)cc1 1359071381 NYWNDKPDHUDVNK-GHTZIAJQSA-N 433.369 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@@H](F)c1ccc(Br)cc1 1359071382 NYWNDKPDHUDVNK-WIYYLYMNSA-N 433.369 4.942 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC(OCCC(C)C)CC1 1359095168 LBXWUBKLPPTSBF-VWNXMTODSA-N 438.616 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 1359116541 PFHVXUDDMFZCAU-JOCHJYFZSA-N 447.004 4.882 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359123498 RHEIMIAMFRPVSO-QUCCMNQESA-N 431.625 4.717 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359212559 PKNFUWLYNXMTIJ-OALUTQOASA-N 431.378 4.822 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(Cl)nc1)C1CC1 1359248524 RNJRADUNWCDTNF-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCC(=O)N1CCCCC1 1359260735 MVBXDZVSXNZHOJ-UHFFFAOYSA-N 439.579 4.670 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 1441672686 PJNGKBMVCGZBRY-IBGZPJMESA-N 438.515 4.584 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)CCCN1C(=O)OC(C)(C)C 1449025875 CUYGATZUAZNCLA-DEOSSOPVSA-N 430.593 4.784 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C)c1ccc(Cl)cc1 1450846613 JXUAZGASZZIRBG-DWJNZPNVSA-N 434.967 4.915 30 10 IJEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1Oc1ccccc1C#N 1454397598 CPICWRLDOMJQSF-HYBUGGRVSA-N 425.532 4.991 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1 1457220798 JYDCISTZQRZCCT-UHFFFAOYSA-N 448.523 4.714 30 10 IJEE O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N[C@H](CC(F)(F)F)c1ccc(F)cc1 1457979239 CQDZIUKSTQPXIF-CQSZACIVSA-N 437.359 4.730 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1 1460086870 CEMUCMVBDRNTTA-UHFFFAOYSA-N 436.566 4.542 30 10 IJEE CSc1cccc(Nc2ccc(NC(=O)CCc3c(C)nc(O)c(C#N)c3C)nc2)c1 1461410302 QZNNPBZQJSTBBP-UHFFFAOYSA-N 433.537 4.708 30 10 IJEE C=C1CCC(CNC(=O)c2cc(I)ccc2N2CCCCC2)CC1 1462674627 KGNMTYGTLYLHDE-UHFFFAOYSA-N 438.353 4.758 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 1465340548 QHEXAJMSTPHRCF-GOSISDBHSA-N 447.366 4.700 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](CC(F)(F)F)O[C@H](C)C1 1466817239 XAEMOWCWSXJIRU-YPMHNXCESA-N 437.256 4.588 30 10 IJEE N#Cc1ccc(F)cc1CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 1472933178 HFBDICQTPBHUMG-UHFFFAOYSA-N 425.872 4.994 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(Oc3ccc(C(C)C)cc3)CC2)CC1 1473109393 CFGANGUTLNWIJB-WRDKKKNXSA-N 425.617 4.973 30 10 IJEE C[C@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1C(F)(F)F 1475027690 HBJNAFFBCGOTKF-VIFPVBQESA-N 431.329 4.783 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1 1476034405 CYTJUPDKBYIDFM-OAQYLSRUSA-N 426.520 4.994 30 10 IJEE C#C[C@H](NC(=O)NCCOc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1477839418 UEEHPWOITPLLCE-INIZCTEOSA-N 441.247 4.520 30 10 IJEE COC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1503906333 GYBSDYDIOCEIPT-WAIKUNEKSA-N 427.618 4.686 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507559107 NYMJYSQSWMIPFC-FQEVSTJZSA-N 437.588 4.503 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1507576283 XKFWYOHPAXFANF-QUCCMNQESA-N 444.048 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1507912821 KZIFZBMKTXWSBR-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1507925325 AAVMTTMMLANJOP-UHFFFAOYSA-N 440.979 4.573 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2CCCO2)CC1 1507926440 FVJOSWKNBBFXBV-OAQYLSRUSA-N 425.533 4.605 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)c1cc(C)oc1C 1508012660 BPJINVUYLPADLY-HSZRJFAPSA-N 426.948 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1508020813 RDFFEWZPJUVPEZ-QGZVFWFLSA-N 445.995 4.614 30 10 IJEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1)N1CCC[C@@H](C)C1 1512179776 HJTVQCFSHVPZMQ-UXHICEINSA-N 448.640 4.678 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CC(C)(C)C2)c1 1518067337 GWOWDVHEOWLPAV-AWEZNQCLSA-N 446.393 4.748 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)c(C#N)s1 1520662707 AJFDAVHROSAWNL-JOCHJYFZSA-N 429.517 4.607 30 10 IJEE C#CCCOc1ccc(C(=O)N(Cc2ccccc2)c2nc(C)c(C(=O)OCC)s2)cc1 1525973413 LNNBXEKBBJDPGS-UHFFFAOYSA-N 448.544 4.877 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F 1532439648 NBULOURTHVUEBC-QGZVFWFLSA-N 441.881 4.655 30 10 IJEE C=CCCn1cc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)nn1 1533964045 MXPGGXQNQIAZLA-HSZRJFAPSA-N 449.624 4.569 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 1536870153 BCYPTMFDBSSLCC-UHFFFAOYSA-N 425.238 4.779 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1538704133 IHGMEUFHBKMGHV-LAUBAEHRSA-N 448.371 4.982 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(OCC2CC2)c1 1538973820 QFFJJOZLDTVISA-XXBNENTESA-N 429.568 4.510 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539081602 CWSPDNIWIYRONP-QHCPKHFHSA-N 446.599 4.525 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)CN1CCCC1 1539154314 OIFSWAUXIIBIIM-INIZCTEOSA-N 428.005 4.615 30 10 IJEE C#CCN(C)c1nnc(CC(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1539183261 YRXUBMFTNRZWIZ-UHFFFAOYSA-N 425.577 4.526 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1C[C@H](C)O[C@@H](C)C1 1539246146 PFCJAFWYZGDSTB-OALUTQOASA-N 436.625 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(OC)CCCC1 1539345078 PIJNPSHWNKSSLG-UHFFFAOYSA-N 431.584 4.771 30 10 IJEE C#CCN(CC)c1nnc(CC(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1539370675 DJMAAHRUMVCEDX-UHFFFAOYSA-N 425.577 4.526 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCCCC)CC1 1539429657 BXRHIMLQWRYXGB-FQEVSTJZSA-N 444.023 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1CCC(OC)CC1 1539558336 GANJKQPAPZKAPS-NFDBJIOVSA-N 426.992 4.720 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 1539621671 SFDYBTZWRKJBTA-LPHOPBHVSA-N 448.409 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1539631539 MAAJLEICBOGIFX-ZBPHCFQXSA-N 446.542 4.629 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1539686181 LQOGDGRZSRPLIZ-OAHLLOKOSA-N 430.325 4.745 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1539690850 QMGHPNNHNFVTSV-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1539786524 SHVGMSDUKYZRRF-CJNGLKHVSA-N 436.368 4.774 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1540034110 WMHYSSJEQKYBCW-KRWDZBQOSA-N 427.499 4.717 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]2C(C)(C)C)c1 1540247921 FSJLEWXLUUXRCG-OAQYLSRUSA-N 447.000 4.982 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 1540487424 YGWPPEYAPDAQIM-CVEARBPZSA-N 435.977 4.996 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2cc(C(C)(C)C)no2)C1 1540883679 CRTJFNOBYQRNAB-UNMCSNQZSA-N 449.599 4.935 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H](C)N2CCCCC2)C1 1540887010 NPSLUKPKRFYUHM-SIKLNZKXSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](OC)C1 1540911443 XVMMQDMIBZBUGH-WMZOPIPTSA-N 432.659 4.666 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1540919479 BHAMLBRYFUGMHO-JOCHJYFZSA-N 436.629 4.709 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(OC2CCCCC2)c1 1544729201 JFNXVOCOMOVLAU-HXUWFJFHSA-N 431.577 4.659 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3cc(Br)ccc3n2CC)c(OC)c1 1544915145 POEDKAWQOQNOBZ-UHFFFAOYSA-N 444.329 4.573 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@@H](C)O1 1555953660 BLBAVRBIEJMZKB-JSJNYSNDSA-N 447.505 4.799 30 10 IJEE C=CCOc1ccc(C(=O)NCc2cc(C)cc(NC(=O)OC(C)(C)C)c2)cc1OC 1556590897 ZSDVFKDCGJJNCE-UHFFFAOYSA-N 426.513 4.845 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1559307438 GTVKCZAJHLQRTQ-AWEZNQCLSA-N 440.590 4.752 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@@H](O)COc2cccc3[nH]ccc23)cc1 1559603687 FYVFGDYPDYTHNI-HSZRJFAPSA-N 429.495 4.621 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OC)c(C(=O)c2ccccc2)c1 1563216045 WFUDZWVDIKBXHJ-UHFFFAOYSA-N 434.492 4.622 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc(OC)c1OC 1583798275 MEOVQPYXUKTTGI-CQSZACIVSA-N 428.579 4.839 30 10 IJEE COc1ccc([C@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C)c1OC 1584071328 HGRDDTBANPJFAS-SFHVURJKSA-N 430.504 4.954 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(OC3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1587165456 WZIOKVCMSHQGNO-VWLOTQADSA-N 428.573 4.970 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cscc1C(F)(F)F 1587594053 RSOLTIBULLASIT-NSHDSACASA-N 425.867 4.580 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(CC)s1 1588099512 OZXZXUUFUMCDCF-KRWDZBQOSA-N 434.634 4.876 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1593851679 ATLIEDNQHAMBNM-IEBWSBKVSA-N 448.995 4.889 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](COC)C1 1593852099 LTWSEKDYGHLSKN-HNNXBMFYSA-N 439.785 4.713 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](COCc2ccccc2)C1 1593900285 JRKHAKZKWZWCBD-FQEVSTJZSA-N 428.989 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(C)C)CC1 1594461411 RHKUSVZGNKNAHT-UHFFFAOYSA-N 444.645 4.823 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1nc(C(C)(C)C)cs1 1595009843 MMQVABVCCDFKOV-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)OCC 1595148985 FTPVDXHFLGUZBX-UHFFFAOYSA-N 440.569 4.743 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1595323944 HOPPMYOOBFLUKY-KDOFPFPSSA-N 445.386 4.922 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595844902 JGFGKRNYGHLQHQ-VGSWGCGISA-N 437.613 4.582 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(Br)cc1 1596977863 JCOCIGXNYIGOKL-LJQANCHMSA-N 428.257 4.865 30 10 IJEE C#CC[C@@]1(C(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C 1616467407 FMHACOOEOUQZMB-XDHUDOTRSA-N 430.976 4.621 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccc(Br)cc1 1622908127 LEYIRJMRKYJHBR-INIZCTEOSA-N 429.705 4.784 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1Oc1cccc(F)c1 1624613883 VPDTYZHICUQAHL-FQEVSTJZSA-N 443.519 4.879 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)C[S@@](=O)c3ccc(Cl)cc3)c2)cc1 1624918530 AQSAEJFFXWSNDP-SSEXGKCCSA-N 438.936 4.731 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1627747612 ZVOBTXFPVMTIBT-KSSFIOAISA-N 425.356 4.773 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)c1 1630665756 FJFGTEWJQQPCSU-AWEZNQCLSA-N 436.360 4.550 30 10 IJEE C#CCN(CC1CC1)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1632028206 RPJFJKYCOKIVFK-CQSZACIVSA-N 432.387 4.997 30 10 IJEE C=C1CCC(CNC(=O)N[C@H](C)CCc2ccc(I)cc2)CC1 1634922780 JMMNXMACIYITSF-OAHLLOKOSA-N 426.342 4.658 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C 1638664322 KNHQLNJENIWMGU-OAQYLSRUSA-N 426.513 4.650 30 10 IJEE C#CCN(C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1)[C@@H]1CCCc2ccccc21 1638902828 YSFLGYXSIOONKF-LJQANCHMSA-N 440.569 4.713 30 10 IJEE C[C@@H](Nc1ccc(C#N)c(Br)c1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1642188723 JCMNZAVJXFTSOC-OCCSQVGLSA-N 426.330 4.907 30 10 IJEE CCOc1cccc([C@@H](C)NCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)c1 1642464570 ICRIAUONYDPROW-LJQANCHMSA-N 442.563 4.916 30 10 IJEE Cc1ccc(-c2noc([C@@H](C)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)n2)cc1F 1642944431 ARIUPVOEOZBEOK-IERDGZPVSA-N 439.922 4.781 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@H](CO)c3cccc(F)c3)c2C#N)C1 1645007565 CQZLEBOBNKQZDB-OXQOHEQNSA-N 443.588 4.562 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(OCC)cc2)C3=O)c(Cl)c1 1645997859 QZKGLEQDRCLPBI-UHFFFAOYSA-N 444.874 4.773 30 10 IJEE N#Cc1cc(F)c(NCCC(=O)Nc2ccc(Br)cc2)cc1Br 1651410527 CBCRLTULFRIYKX-UHFFFAOYSA-N 441.098 4.663 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 1655146500 BPFVDILMDQSHFS-MRXNPFEDSA-N 443.725 4.639 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2cccc(I)c2)cc1 1657496180 FZLVNQQHNHWTIC-UHFFFAOYSA-N 432.305 4.718 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1OC 1657787222 AJYQYUUIKLLKCG-UPVQGACJSA-N 433.951 4.916 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 1659600018 AQKNNKYJZUNHKU-UHFFFAOYSA-N 447.551 4.633 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@@H](OC)C1CCCCC1 1661282836 WTRNJUJFBHXJPN-LJQANCHMSA-N 448.398 4.501 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2c(Cl)ccc3ccccc23)cc(OC)c1OC 1661721974 RTYCMLHFTSNHHG-UHFFFAOYSA-N 431.941 4.717 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1C#N 1670179141 BDLSUKIRMBHVLM-UHFFFAOYSA-N 426.948 4.739 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1ccc2c(c1)OCCCO2 1672214659 WXTIFPLDOPUXPV-UHFFFAOYSA-N 447.329 4.539 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 1673641979 DYRDENVHHZGQAY-HKUYNNGSSA-N 426.923 4.519 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1)c1ccc(F)c(F)c1 1674120346 YTALZLNVYDNUOF-NFBKMPQASA-N 426.511 4.688 30 10 IJEE Cc1nc(NC(=O)Nc2ccn(CCC#N)n2)sc1Cc1cccc(Br)c1 1677547682 APUZXVSJIWFXOD-UHFFFAOYSA-N 445.346 4.559 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1679565058 PYXOABOMDBCMRT-FQEVSTJZSA-N 448.350 4.818 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 1681031513 HRTOTERGJLKCCQ-LJQANCHMSA-N 429.358 4.788 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1682356169 BDSPRQCBHWLPAP-QFBILLFUSA-N 449.389 4.667 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1oc(CCC)nc1C 1690083413 FSRGTIMRHCLFIV-UHFFFAOYSA-N 449.599 4.911 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1690233904 VMSXJTAUKPNLNN-QWHZDKJVSA-N 449.418 4.722 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690280521 VQCFMTQKLALTEF-VQTJNVASSA-N 441.620 4.628 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1690365853 IYPBXUZYTCTHGB-OALUTQOASA-N 444.023 4.643 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1c(C)noc1C 1690449675 NKMFMXPLWPRQIG-QFIPXVFZSA-N 437.544 4.626 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCCC[C@@H](SC)C2)cc1 1690678809 AYKCGKYKAPPVAA-JOCHJYFZSA-N 435.597 4.675 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1690687472 CAJSSEJPSSUYMQ-KNQAVFIVSA-N 444.023 4.500 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2c(C)cccc2C)C1 1690692103 RCRVFTRDGISSOA-FQEVSTJZSA-N 437.975 4.634 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(Br)cc2)C1 1690705894 FKELSKXVCCEQHW-LJQANCHMSA-N 447.421 4.653 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC(F)(F)C2)C1 1690711944 LAAXIALKDZCGSX-VQTJNVASSA-N 446.542 4.691 30 10 IJEE C[C@@H]1CC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1693589935 CXYHQOHKIQKLEV-MCEIDBOGSA-N 443.636 4.530 30 10 IJEE CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1694411872 FRMLURUKHPNACW-FQEVSTJZSA-N 439.604 4.716 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2CC2C[C@@H](C)O[C@H](C)C2)c1 1697510507 HEUHEDBWMZQJHF-WOJBJXKFSA-N 439.604 4.923 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@H]1C 1705512655 JYJJWHWSRIQCOX-JKSUJKDBSA-N 431.378 4.754 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@H](C)c1nccs1 1705524771 RZJZOTLFMWWQHA-DLBZAZTESA-N 427.549 4.667 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC[C@@H](F)C1 1705588730 IZGZMQYRLDLNGX-CMKODMSKSA-N 428.939 4.673 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@H]1CCCCO1 1705683252 CDOAJSHFNVIYMO-CQSZACIVSA-N 425.758 4.512 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1705728464 LOQUHWHBMNJGCI-DYESRHJHSA-N 444.576 4.567 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C)CC1)c1ccccc1 1705742124 KYDCLHBKQYZWRF-UHFFFAOYSA-N 438.373 4.916 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1705777982 WSNYYECHMKDWHD-RXFWQSSRSA-N 432.616 4.730 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)C[C@H]1CC 1705801956 WURLQECJAROIPM-IEBWSBKVSA-N 444.649 4.528 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1705807423 CJLKZWFNHVCNEZ-JOCHJYFZSA-N 447.558 4.859 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705820598 SJAJCZHKAKUBSD-UHFFFAOYSA-N 445.995 4.546 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(CC(C)C)C1 1705859013 DXPQDEWYQFRNTR-XMMPIXPASA-N 444.627 4.901 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCc1c(C)noc1C 1705866032 FLOKUXFLJNUCCQ-HXUWFJFHSA-N 427.574 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705870702 OLYKOHKWXMOVQO-NFBKMPQASA-N 428.964 4.505 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1nc2c(s1)C[C@H](C)CC2 1705879039 KXZUYARAFPTFKT-QGZVFWFLSA-N 425.602 4.859 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC(=C)CC1 1705942140 IPWDGZPKIVTRDL-UHFFFAOYSA-N 425.421 4.845 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H]1CCOC1 1705942248 LOAHBEXDBHSWIR-IRXDYDNUSA-N 432.659 4.523 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCCC1 1706067998 CJVXKOOVDQNKLI-RTBURBONSA-N 445.011 4.543 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(OC2CCCC2)nc1 1707636864 FZRGQXXURVMCTO-LJQANCHMSA-N 430.556 4.757 30 10 IJEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H](C)c1ccccc1 1708738518 ASQDYPQJTGKNQN-DFBJGRDBSA-N 436.604 4.520 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CC)C1 1722483728 CKVHUTZSSFDPLT-CQSZACIVSA-N 425.321 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](COC)C1 1722496887 OPGGRPXUWPFMFZ-WWMYMODYSA-N 448.970 4.582 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1722520515 VZUNJSPPEKIXIS-DLBZAZTESA-N 447.986 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722586196 WPENUOQTEQDFFC-JOCHJYFZSA-N 431.540 4.898 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)OCCc2sccc21 1722598586 KZXWTBBRQSYRFE-DVECYGJZSA-N 444.645 4.904 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1722613985 XMIVOXLYMBMHFD-QPPBQGQZSA-N 430.600 4.796 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1csc([C@H](C)OC)n1 1722635172 UZSXZQFMNWWPNJ-GJZGRUSLSA-N 447.992 4.906 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCOc2ccc(Cl)cc2)C1 1722720460 MALYTDRCORBYJL-NRFANRHFSA-N 430.980 4.525 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)CC(C)(C)O1 1726662144 FKQKVFPAJBNXHW-KRWDZBQOSA-N 435.597 4.860 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)C[C@@H](C)S1 1726722059 CJPLDEIYIIAOBS-QZTJIDSGSA-N 427.618 4.885 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCOC1CCCCCC1)C(C)C 1728326710 DQZRVRQCTVYABI-UHFFFAOYSA-N 425.577 4.703 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2)C1(C)C 1728919118 FOBMIWSDRXNBGB-NJDAHSKKSA-N 439.629 4.742 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740565697 FEDDYHNKTHZICD-GHTZIAJQSA-N 433.383 4.777 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1740579350 KCLGTXVUYQLHSM-HXUWFJFHSA-N 444.048 4.702 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H](C)c1ccco1 1740581823 GYUQSXSRCVWUQI-HNNXBMFYSA-N 443.345 4.920 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@H]1CC 1740661649 GZFCPJORIPIDHW-XZOQPEGZSA-N 437.632 4.759 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCN(CCC)C1 1740663200 CFJRCDXQHOTZAZ-FQEVSTJZSA-N 448.640 4.568 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Cc2cccs2)CC1 1740840686 IFLHVLWCINLYFS-MRXNPFEDSA-N 427.643 4.977 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1740857769 BTUCFQDNBVYMNA-UHFFFAOYSA-N 429.572 4.504 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1740887186 DWSYDHSGQBOVHK-VXKWHMMOSA-N 431.669 4.550 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccsc1 1740932691 UCTLTVQQVJBWJR-LJQANCHMSA-N 443.617 4.681 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CC2CCCCC2)cc1 1740967500 IJZDBLBBJLREKO-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCOC1CCCC1 1748651579 OWGRPJWTMZNWRQ-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC(c2ncc(C)s2)CC1 1748760775 FZIINPJYZRWMNP-UHFFFAOYSA-N 449.624 4.982 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 1749121543 NJCSXZRFIKYKFE-QFBILLFUSA-N 429.977 4.673 30 10 IJEE C=C(Cn1c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1749246610 GREQQDRDXGILIU-HXUWFJFHSA-N 437.632 4.666 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCN2CCCC2)CC1 1749286105 FKFSECMNYSOQDX-FQEVSTJZSA-N 444.023 4.941 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CC[C@@]2(CCSC2)C1 1749438047 PKGBZRVSNLHRAZ-HSZRJFAPSA-N 428.602 4.555 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC[C@@H]1C 1749464791 DYPFNRMDIBEYPI-FHWLQOOXSA-N 432.996 4.983 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1749582284 GYIAGKLZJWWAGD-UQVNRYHBSA-N 441.620 4.663 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCSCC)C1 1749698620 UZDSCERCPFEGCC-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)C2(CCC2)C1 1749764006 PPFPXIXJGHSJNP-GOSISDBHSA-N 430.593 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1ccc(Cl)s1 1760122407 KXVSFSRWQRJCFX-KRWDZBQOSA-N 428.989 4.889 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1ccco1 1760160944 HMUIKSODXARMQW-GOSISDBHSA-N 441.576 4.596 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1CCc1ccc(Br)s1 1760169331 KERZPFCTMFYXRR-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)c1nc(C)cs1 1760291304 JUQDLXYBHPSWCL-LHSJRXKWSA-N 426.977 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1csc(C)c1 1760291847 FLZHFLGIZHLGEL-XMMPIXPASA-N 436.581 4.763 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCC(CC)(CC)C1 1760311997 HQZCAHPYSOPUFD-UHFFFAOYSA-N 437.357 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCSC1(C)C 1760336588 CNNPQLXTKKPIDL-YLJYHZDGSA-N 428.602 4.725 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760344138 ZOBQPXDWAOITJD-LJQANCHMSA-N 425.577 4.665 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760377459 CFAZXLGSFAGDFL-INIZCTEOSA-N 432.981 4.573 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCCC[C@@H]1CC 1760454252 BUOOIVWMTBKVJR-IBGZPJMESA-N 432.410 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760455044 ZCNONECTLNDDTF-VGOFRKELSA-N 446.437 4.840 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760511578 WDFSCJFUGDSPII-OAQYLSRUSA-N 428.024 4.657 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760534062 QYTJKBUSNSIQJA-RTWAWAEBSA-N 437.632 4.543 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1760973578 ABIAJVNUWHWWDT-XQFWAAQXSA-N 432.572 4.683 30 10 IJEE CS[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1771396899 GUAMDXKRZSSHJW-QXATTWAWSA-N 449.571 4.777 30 10 IJEE CCOc1cc(/C=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)ccc1O 1772737830 MZNVFWMVNSSQJL-NLUKZUHQSA-N 444.582 4.888 30 10 IJEE CCCCCCCCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 1860166706 GLEJOLAHDNOQCI-XMMPIXPASA-N 433.552 4.668 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861365545 NKBYOIBXAZMVTN-INIZCTEOSA-N 447.403 4.996 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1F 1862463227 DTVDNTAACLFOEW-LZVRBXCZSA-N 425.353 4.759 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1F 1862505195 ABGLRXYAAJOLTN-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862579774 UKLOQBNMZYJWPB-GOSISDBHSA-N 436.291 4.609 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)cc1 1862604401 CPEHYAOWAANCSF-XMMPIXPASA-N 441.483 4.545 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(OC)c1 1862652215 FQJSOWOCVIWGKG-QHCPKHFHSA-N 431.488 4.932 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2c(F)cccc2Cl)cc1 1862666942 OWVKMEPQOPJYEG-XCLFUZPHSA-N 431.891 4.562 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(F)cc2)cc1 1862687392 KJQIOKJOQWLCAM-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862695052 ZBIMUDZAOMDGIR-NRFANRHFSA-N 436.464 4.514 30 10 IJEE CCCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1 1862754587 DEIIPYBLILRGOA-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOC)=C(c2cc(Cl)ccc2Cl)C1=O 1863730239 SFCXCMMREFOTKH-UHFFFAOYSA-N 427.372 4.670 30 10 IJEE CC[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867739975 HHNLMMQHOZZETE-CVEARBPZSA-N 438.742 4.845 30 10 IJEE O=C(CCc1ccccc1F)NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1868131344 KAXINWATYSLPGD-UHFFFAOYSA-N 436.327 4.551 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)nc(CC)n1 1869136241 XSNLJZLEAMACBR-UHFFFAOYSA-N 429.568 4.798 30 10 IJEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3Cc3c(Cl)cccc3Cl)c(C)c2c1 1870110946 PQPMPSSHJSZLOO-UHFFFAOYSA-N 439.306 4.855 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)C2=Cc3ccccc3OC2)c1 1870161791 GFMQQZZFGDJECJ-UHFFFAOYSA-N 427.508 4.800 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870386889 IMBDKJNYSTVEME-ZEVJAHDQSA-N 449.639 4.728 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN(C)C 1870707354 HENPWTHWWNOOHF-UHFFFAOYSA-N 427.589 4.596 30 10 IJEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871004402 CVCILPAVPOHSDG-UHFFFAOYSA-N 443.591 4.870 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871008880 SABDRVHPCGJDQQ-UHFFFAOYSA-N 431.294 4.967 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)cc1OC 1871366868 QSLGJQORTLAWNC-WJVSXQMQSA-N 443.455 4.642 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN4CCOc5ccccc54)c(O)cc(C)c3C2=O)cc1 1871395953 FAORKXXDOUKFQE-UCQKPKSFSA-N 429.472 4.724 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)cc1 1871424532 MOHOELMSZQQDJD-XHFXOGKZSA-N 443.499 4.876 30 10 IJEE Cc1cc(OCCN2CCOCC2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871449297 KKIYNMOCDINWLS-NDENLUEZSA-N 434.319 4.629 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N(C)CCO)n1 1871528729 REXIVPFACHSGKH-UHFFFAOYSA-N 428.625 4.635 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872430029 JBSLSAWTWYWJGW-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872516667 WYXFVFWLCRMQIM-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(Cl)cc3)n2)c(OC)c1OC 1872788125 DOOVGZIRISWMLH-MRXNPFEDSA-N 442.924 4.908 30 10 IJEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873170214 QZAKJKIHJLBHIF-FQEVSTJZSA-N 425.532 4.711 30 10 IJEE N#Cc1ccccc1NC1=C(c2c(Cl)cccc2Cl)C(=O)N(C2CCCC2)C1=O 1873288286 YREMSFBTJMICBY-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE CCCOc1ccc(/C=N/Nc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)cc1OCC 1873525544 JMXRMEMXAYRUDW-AFUMVMLFSA-N 440.931 4.828 30 10 IJEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(O)c1 1874213773 FJRCVMGGMGOYBD-OEAKJJBVSA-N 446.960 4.739 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SC)cc1OCC 1874262909 XKMHFNUVFZQHTM-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE CCCOc1c(/C=N/n2c(COc3ccc(C)cc3C)nnc2SC)cccc1OC 1874325348 KWDGMNQRFGWBAV-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874342581 XPJAZXHZTXCSMO-FSJBWODESA-N 428.945 4.787 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(OC)c1OCC 1874375603 DUWMHVWWGBJQNA-AFUMVMLFSA-N 440.544 4.966 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)ccc1O 1874427118 RSUDPSYMTYGDHA-ZMOGYAJESA-N 449.467 4.873 30 10 IJEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2F)c1 1874437137 MATBMQOTUGCUTK-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1cccc(Cl)c1 1874507259 UAYXVLNKUOPFLO-WSDLNYQXSA-N 432.933 4.828 30 10 IJEE CCCSc1nnc(C(C)C)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874515411 WVOXZSICOWNXOG-VXLYETTFSA-N 427.368 4.653 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)cc2Cl)cc1C 1874534700 WRMSZKCDRGGOIE-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 1874575217 BHZDETGRSNRSNQ-XYOKQWHBSA-N 442.899 4.972 30 10 IJEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccc1 1874625209 RLDJMTPFJQDZMG-BNXPMYBGSA-N 448.450 4.886 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(CCc3ccc(C)c(C)c3)nnc2s1 1874783379 JKSNSGFAGNZSSM-UHFFFAOYSA-N 441.645 4.997 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3=NNC(=O)CC3)c(Cl)c2)cc1 1875106574 FHXFLFYPFMMGMC-KPKJPENVSA-N 438.911 4.750 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2OC)c1 1875153674 SGFDIHQVDGLUFW-JXMROGBWSA-N 436.435 4.967 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3c(C)cccc3Br)n[nH]2)c1C 1889716859 QURAPCQKLODAPN-UHFFFAOYSA-N 428.334 4.789 30 10 IJEE O=C(c1c(F)c(F)cc(F)c1F)N1CCC(COc2ccnc(C(F)(F)F)c2)CC1 1891387507 OEOHFMKSHOQMOQ-UHFFFAOYSA-N 436.327 4.588 30 10 IJEE CCCN[C@@H](C#Cc1cccs1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1900748284 NKURCIOIGIYOIN-VXKWHMMOSA-N 428.598 4.578 30 10 IJEE Cc1ccc(NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1C#N 1909928418 STZZWFBAVFOZMQ-SANMLTNESA-N 449.551 4.649 30 10 IJEE CC1(C)OB(c2cccc(OCCN(Cc3ccccc3)Cc3ccco3)c2)OC1(C)C 1915091030 SBWOGRJJSPMONJ-UHFFFAOYSA-N 433.357 4.660 30 10 IJEE C#C[C@@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1965442871 MFRAGMJYHWVGIN-BVFVYWQFSA-N 444.575 4.858 30 10 IJEE Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)[C@@H](C)c2cccs2)n1 2052609611 ZUHFQGOTKSNUOG-KRWDZBQOSA-N 435.402 4.914 30 10 IJEE Cc1cc(C)c([C@@H](n2nc(C)c(/C=N/O)c2I)C2(C)CC2)cc1C 2079112025 NSYRTOHLPSHGAD-LYUVJKPTSA-N 437.325 4.919 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C3(C)CC3)c(C#N)c2I)c(F)c1F 2079925505 NPMWENNWNQAOFN-SNVBAGLBSA-N 427.236 4.607 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2(C)CC2)c1N 2079969606 GJKBLPGYSFFQGL-CYBMUJFWSA-N 439.331 4.818 30 10 IJEE COc1ccc(Br)c(Cn2nc(C(C)(C)C)c(C#N)c2Br)c1 2080282087 DURHDVHBVSAPHY-UHFFFAOYSA-N 427.140 4.634 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441099 BLJXZCDZMVCLIY-TZMCWYRMSA-N 426.330 4.955 30 10 IJEE CC[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 2174815423 SUYIZKHSIJXNFL-HIFRSBDPSA-N 440.357 4.980 30 10 IJEE C=CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CNCC)c1Cl 2185656765 YNJBPBCLDANLSL-UHFFFAOYSA-N 427.397 4.870 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCC2)N(c2cc(Br)cc(F)c2C#N)C1 2193436439 APRVAUOMAZYCDT-CQSZACIVSA-N 438.341 4.876 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2209724869 RQINBKRWOXWSJY-HXUWFJFHSA-N 443.385 4.826 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2214836330 JLJKNVMZPGUTQA-QYWGDWMGSA-N 436.557 4.852 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)C#Cc2ccccc2Br)(C(F)(F)F)C1 2235735200 ZDOMEBSFOXCWEW-GOSISDBHSA-N 446.263 4.559 30 10 IJEE CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)NCCC#CBr)cc1Cl 2250002432 LDDWMQRHULWTDV-UHFFFAOYSA-N 436.133 4.816 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2cccc(Br)c2)CC12CCCCC2 2296225133 RIJXXEBCMVEVKW-QFIPXVFZSA-N 434.374 4.875 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2296230844 XNXDPTLZFDPAGH-BJLQDIEVSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@@H](N)C#Cc2cccc(Br)c2)C1 2296279803 SMYNQCMKZHWCJQ-YSIASYRMSA-N 435.406 4.992 30 10 IJEE C=CCN1C(=O)SC(=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O 2296376816 HGBQRVNWSKBIQK-UHFFFAOYSA-N 435.480 4.641 30 10 IJEE C=C(CNC(C)C)CSc1cc(I)ccc1Br 2300790721 PYEPOXNQTCSAOM-UHFFFAOYSA-N 426.161 4.700 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2305315375 BIDQKYHJDSCNIU-QFIPXVFZSA-N 438.515 4.554 30 10 IJEE CC1=NN(c2ccccc2)C(=O)[C@@H]1C=C1SC(=Nc2cccc(Cl)c2Cl)NC1=O 2313541297 ABYNPXAYHTUOOK-CYBMUJFWSA-N 445.331 4.767 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353294 GDAJDHVVAUDFBN-ZWKOTPCHSA-N 430.354 4.551 30 10 IJEE CCc1nnc(SCCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2321010294 AOZZVOUCVVGPEZ-UHFFFAOYSA-N 431.359 4.526 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)OCC(C)C 2322308467 VXUIRUUOPMFDFD-UHFFFAOYSA-N 447.871 4.731 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C)cc1 2322586408 ZLCHWZDSWQBXJU-UHFFFAOYSA-N 430.342 4.901 30 10 IJEE Cc1ccc(C=NNc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Br)o1 2322667034 FQTAUPCKSTXVNS-UHFFFAOYSA-N 442.100 4.649 30 10 IJEE Cn1cc(C=C2Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)c2ccccc21 2322775308 GPPYNUHBDQIVED-UHFFFAOYSA-N 439.423 4.742 30 10 IJEE Cc1c(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2323130994 OZGYRFKBFPJGFL-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c(OC)c1 2323768113 LQPCJWGBFGYWCV-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCOC(=O)c1sc(NN=Cc2ccc(OC)c(OCc3ccc(C)cc3)c2)nc1C 2323854525 NHYBNYIAGJLHGM-UHFFFAOYSA-N 439.537 4.970 30 10 IJEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)ccc1[N+](=O)[O-] 2325686654 WHJZTZLVXOMQBC-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1Cl 2325710871 FJDIJMMQIDNQKI-UHFFFAOYSA-N 439.851 4.884 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1C(=O)O 2326514667 MXLUDWBSIDOSSE-UHFFFAOYSA-N 430.917 4.511 30 10 IJEE CCC(=NOCC(=O)OC1CCC(C(C)(C)C)CC1)c1ccc2c(c1)CCN2C(C)=O 2330275769 VVIYILSMISEOST-UHFFFAOYSA-N 428.573 4.874 30 10 IJEE CCc1ccc(C=Nn2c(CNC(C)=O)nnc2SCc2cccc3ccccc23)cc1 2330777969 WSLJHZXSULOUPW-UHFFFAOYSA-N 443.576 4.804 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 2330996184 ZRNQSABRNSCLKS-LJQANCHMSA-N 428.945 4.966 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2331163036 NGUFTWWRJUDGJP-VWLOTQADSA-N 432.564 4.764 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccs1 2331392195 ATTISLHNCZFSMY-UHFFFAOYSA-N 427.599 4.867 30 10 IJEE C=C(C)CSc1nnc(C(C)(C)C)n1N=Cc1cc(Br)c(O)c(OC)c1 2331394560 UYHHPPFIAHJUQT-UHFFFAOYSA-N 439.379 4.603 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccccc1Cl)Nc1ccccc1 2331484462 PQBITFGEXONWNX-UHFFFAOYSA-N 425.945 4.812 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(F)cc1F 2331687381 ZDGNGXUDUDQKHM-UHFFFAOYSA-N 429.496 4.601 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 2331814755 DGQXBXSQDGUHSZ-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CC2CC1(COc1ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn1)C2 2339605618 GVFZIZXQVFMJEO-ZHACJKMWSA-N 442.365 4.505 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197399 LJXOLONCJDYFCD-GSEOLPGOSA-N 433.390 4.567 30 10 IJEE CC(C)N(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)CC(F)(F)F 2377444378 MSQRFGISANGNLR-UHFFFAOYSA-N 436.121 4.521 30 10 IJEE COc1cc(/C=N\n2cnnc2S)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1915914 ZQYVCTIXHAAALE-HOEBFWFUSA-N 443.743 4.997 30 10 IJEE COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C1=O 2424318 MRRILOJBKPQRGJ-WDJNEDGGSA-N 443.411 4.995 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccc(O)c(OC)c2)C1=O 20034478 UMIOIJOESCGHHD-BOPFTXTBSA-N 431.897 4.598 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccs2)n1)N(c1ccccc1)c1ccccc1 21079244 SVQFOLMMDRJMBX-HYARGMPZSA-N 434.550 4.769 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(CN4CCCCC4)c(O)cc(C)c3C1=O)cn2C 41510999 BYCRZKCBXOZVPN-FMCGGJTJSA-N 432.520 4.803 30 10 IJEE COc1ccc(/C=N\N=C2\S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1OC 47137480 IQZGQXWPLDKIGU-QXZAMSPYSA-N 447.516 4.803 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 58272492 PRUQLDMZHZUGIS-UHFFFAOYSA-N 440.425 4.930 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2)cc1 103112159 RVRGINQXCLKIKC-LCPUNJGISA-N 434.517 4.785 30 10 IJEE CCOC(=O)Cc1csc(N/N=C\c2cc(Cl)c(OC(C)C)c(OCC)c2)n1 169943381 UQKSXYJNKLYTEO-FBHDLOMBSA-N 425.938 4.534 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccs2)c1 169987417 ZZBRXQVJOJZTLI-LJQANCHMSA-N 441.892 4.899 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2F)c1 170069035 RXWYTFSDJKMTJO-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2c[nH]c3ccccc23)cc1C 170077046 VCXZMYZLDXLTET-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(CC)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170114098 XERFSKHMKRMFPF-UHFFFAOYSA-N 437.499 4.916 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)c1 170138288 YFYMNCSYAOPMKQ-NRFANRHFSA-N 441.911 4.965 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccn2)c1C 170172937 BRJNNWOPWSYIEM-UPCLLVRISA-N 440.499 4.805 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)c1 170218837 DSQCKTVULYWJAT-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccccc2)cc1C(C)(C)C 170221963 JMTITNQCNCZFOP-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)c1 170225401 FEDWLXYHFDHUQO-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1 170230901 ZFPKVHMRSHIPGB-NRFANRHFSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 170231001 BGVSFYDCDWUOHY-HXUWFJFHSA-N 449.304 4.623 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1ccccc1C 170270134 VLAUFGARJNACJO-HSZRJFAPSA-N 437.536 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccco1)c1cc2ccccc2o1 170281312 ZWOAMWYEKDFTHK-OAQYLSRUSA-N 429.384 4.537 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccco1)c1ccc(Br)cc1 170281650 CJNMPTDWNNUMKB-GOSISDBHSA-N 442.240 4.964 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccco2)cc1 170291113 AEJLQCZVLMDNNI-JOCHJYFZSA-N 447.487 4.692 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(NC(C)=O)c2)cc1 170393645 LUKDZUURMVKLCP-XMMPIXPASA-N 440.499 4.990 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccncc1 170421152 DWOOXQUYHTZKIO-HXUWFJFHSA-N 438.405 4.879 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccc(O)cc1 170448150 LFIPWSPPROJWBV-QGZVFWFLSA-N 435.398 4.806 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 170464911 DKNHRYJUVJSYOX-FQEVSTJZSA-N 429.900 4.878 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1)C2=O 210086362 IPLMIOSVJOMRKN-LPYMAVHISA-N 431.400 4.829 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1C12CC3CC(CC(C3)C1)C2 253564555 GQNJSTZPFOPXKZ-UHFFFAOYSA-N 444.551 4.941 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 254486955 SJIDOHSWBKIHKU-UHFFFAOYSA-N 432.396 4.703 30 10 IJEE CCOc1ccc(C(=O)c2ccccc2C(=O)NCC2CCC(C#N)CC2)cc1OCC 442977461 AECCTAAMVNKNMV-UHFFFAOYSA-N 434.536 4.775 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 460387922 MUYCGDSXKGJDFK-IBGZPJMESA-N 449.628 4.765 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(C(C)C)n1Cc1ccco1 481145888 SDIDLOQTZJXLIH-INIZCTEOSA-N 430.599 4.800 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 508929377 HJVVQIPLSYNXQA-IBGZPJMESA-N 443.345 4.681 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)c2nnc3n2CCCCC3)cc1OCC 521820448 XLQQLFHOBYBXNM-HNNXBMFYSA-N 449.393 4.581 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2C(=O)O)cc1 526486847 SDCRBMXRMUNOIN-HSZRJFAPSA-N 440.455 4.712 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccccc2C(F)(F)F)o1 526829845 CJZUJSXNJQSTKN-RMORIDSASA-N 438.431 4.550 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 535674783 IHJXWGCHUQWCIX-UHFFFAOYSA-N 444.491 4.745 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2ccccc2C)C1 548839509 DUNRLHCCWDLSCC-HJOGWXRNSA-N 430.552 4.596 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 549257794 OCJMEHDSRNFHCR-UHFFFAOYSA-N 449.986 4.707 30 10 IJEE C=CCn1c(CCc2ccco2)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 565682071 DXKKBUZUAMGDFJ-UHFFFAOYSA-N 429.524 4.626 30 10 IJEE O=C(C[C@@H]1SC(=NN=C/C=C/c2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 585657519 ZVFZCPZCPHBJJD-QUJSZLQMSA-N 447.347 4.609 30 10 IJEE COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)c2)cc1 731564815 UHWMDKVPCKEMPR-WZUFQYTHSA-N 442.393 4.963 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731831566 KVPQPXWKOCUQEE-DHIUTWEWSA-N 426.944 4.587 30 10 IJEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732595990 GOZDIFHUCVPQJP-RJGXRXQPSA-N 440.499 4.725 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 733112781 RVSUYFIXWDLDAG-QKNQBKEWSA-N 440.337 4.547 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1OC 741606528 QKHPXFYSOYXVDA-UOKBQGFKSA-N 426.582 4.534 30 10 IJEE O=C(NOCc1ccc(F)cc1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 754724562 QMJBCFVPVIYGRP-UHFFFAOYSA-N 441.299 4.570 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OCC 1132192522 JERRVRZSDKIMKA-ZRUQZJFASA-N 443.771 4.928 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1134514935 JNMHITZCFFFHRF-MRXNPFEDSA-N 435.446 4.639 30 10 IJEE CCc1ccc([C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N(C)C)cc1 1135926230 FSKGHDGYCAQKKH-AREMUKBSSA-N 427.548 4.732 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)c1 1136054939 LWOIJHIHIHFSKE-SANMLTNESA-N 445.584 4.978 30 10 IJEE C#C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1139437752 BNVXKEYFSUMCSG-DQEYMECFSA-N 432.564 4.666 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c(OC)c1 1141719781 RSGQWKAXNIJDIQ-SFTDATJTSA-N 436.596 4.597 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 1142340961 DOHCFAPFTCPOKZ-UHFFFAOYSA-N 430.430 4.774 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 1142940050 LHYMFPOJGRAHRW-IEBWSBKVSA-N 446.979 4.756 30 10 IJEE C=CCCC[C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1152374292 LIEXHBUPARSPTH-WMLDXEAASA-N 425.367 4.876 30 10 IJEE N#Cc1ccc(CN2CCN(Cc3cccc(OCc4ccc(F)cc4F)c3)CC2)cc1 1180402883 HQNFGQXTACGYEL-UHFFFAOYSA-N 433.502 4.733 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)ccc1Br 1197287739 CLXDECCHIOQTGM-UHFFFAOYSA-N 439.762 4.542 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2cccnc2Oc2ccc(OCCC)cc2)cc1 1200402889 QDQULLRYEFRGTJ-UHFFFAOYSA-N 431.492 4.996 30 10 IJEE C=CCOc1ccc(CNc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)cc1Cl 1202278346 ABFZSACBSJNCJC-UHFFFAOYSA-N 443.956 4.854 30 10 IJEE COc1ccccc1[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)OC(C)C 1204206626 BDXCENMBAZCPGF-IBGZPJMESA-N 437.418 4.753 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 1264077655 KPVZTXDEEVJUDB-UHFFFAOYSA-N 433.435 4.535 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(Br)cc2C)CCCN1C(=O)OC(C)(C)C 1265222271 WLQXVXWPPVVZQC-OAQYLSRUSA-N 437.378 4.720 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H](C)c1nccs1 1286315269 LGKPUQQIHPOOQK-SFHVURJKSA-N 445.596 4.835 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286317948 QQYGIJFCJVSNNJ-NHCUHLMSSA-N 448.567 4.924 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1286495672 BUZUWBRYNKLTPC-MSOLQXFVSA-N 443.686 4.877 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CCCC1 1286551354 HKCXMMXQFXSVNW-RXVVDRJESA-N 425.533 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCCC 1286554319 XRDNVXABKWPCCI-MJGOQNOKSA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1286561182 LYSQBDGYKCDGSP-NOXFTYBFSA-N 433.556 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)Oc1ccccc1C 1286580068 YCSHABWXDHVHMD-NRFANRHFSA-N 444.583 4.695 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C2CC2)C1 1286603955 CTPIAHWRSGGTFI-MRXNPFEDSA-N 449.368 4.676 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1286650989 OBNFHNHKIMFMQN-GXRSIYKFSA-N 430.637 4.948 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2=CCCOC2)CC1 1286663829 KFCNUFPFVXZYJT-UHFFFAOYSA-N 449.382 4.913 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C)C1 1286669023 XTYZIMSDZFDHMJ-GOSISDBHSA-N 428.577 4.568 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1286681878 WBCMJSBMYYDUMV-YADHBBJMSA-N 437.632 4.677 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccnc(C(F)(F)F)c1 1286729551 UMHAOFJZWXMJQY-UHFFFAOYSA-N 431.462 4.558 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCCO1)C1CC1 1286734502 BRFGKNFSCIEUJF-NRFANRHFSA-N 431.378 4.740 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C)cs1 1286747590 LPENJLRYWBVHIX-UHFFFAOYSA-N 432.578 4.884 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(F)cc2Cl)C1 1286812069 LCNQOIWSOOCDDF-LJQANCHMSA-N 446.979 4.747 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC(F)(F)C1 1300395162 XWGJADXRFYUSOE-UHFFFAOYSA-N 437.332 4.911 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1ncc(C)s1 1300606614 PHDIMFHLXCAWMJ-CQSZACIVSA-N 444.402 4.736 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1300751099 FKYJAXJPLZMVIZ-RTBURBONSA-N 442.629 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1=CCCOC1 1300799232 YDHAMGSGIPKCJE-AREMUKBSSA-N 434.584 4.709 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](COc2ccccc2)C1 1300885091 NVFZOQBXNHAJPQ-IMSXRSKXSA-N 438.616 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1300900881 JHVDCGPXUDFUIL-UGKGYDQZSA-N 440.579 4.937 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1300982721 OUHIAEBYRMEFBH-YLJYHZDGSA-N 439.362 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301141263 KLELURGBBPLOBB-HXUWFJFHSA-N 446.599 4.591 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCc1ccccn1)C1CC1 1301321080 UZBBIJUYERBFQJ-UHFFFAOYSA-N 442.336 4.639 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCN(C)C(C)C 1301360277 ZTHHETHQRIYIBM-UHFFFAOYSA-N 431.009 4.588 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(F)c(F)c1 1301396799 FGRFLYJAYSIBDU-WIYYLYMNSA-N 430.543 4.896 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1ccccc1Cl)N(C)C 1305476389 DYHNRMBRNPPQBL-WGGBDISSSA-N 429.012 4.878 30 10 IJEE C[C@H](CCC#N)CN1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1308812960 HQLSXJQDGMKNEZ-GOSISDBHSA-N 429.609 4.643 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 1310071003 KGSIWOVPGAMAHB-UHFFFAOYSA-N 429.586 4.636 30 10 IJEE Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CC2)c(C)c1 1310113212 BFYGTNPXMYPERF-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2CC(F)(F)F)cc1 1310196452 PXLNLSLSKQSILY-UHFFFAOYSA-N 431.458 4.927 30 10 IJEE CC[C@](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)(C(=O)OC)c1ccccc1 1310292525 HDIBKPIZVCILNH-GAJHUEQPSA-N 425.554 4.581 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccc4ccccc34)n2Cc2cccs2)C1 1321473122 IHKRTCOGQQCAKO-OAQYLSRUSA-N 430.577 4.913 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Br)c3)n2CC(C)C)C1 1325278861 MLRPAJFAYGXAMY-APWZRJJASA-N 449.393 4.618 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1350407397 MDPOQIYVNRKTCQ-LBPRGKRZSA-N 427.328 4.762 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 1351410691 TZORNYNETCDUHO-UHFFFAOYSA-N 433.251 4.904 30 10 IJEE CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 1353129052 CMGFLMSDNQXNLO-UHFFFAOYSA-N 436.418 4.743 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 1354037947 FBUIENDTQPTOBA-IBGZPJMESA-N 444.506 4.900 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)CCCN1C(=O)OC(C)(C)C 1357140394 JWFUMWHPVABFIN-RUZDIDTESA-N 443.588 4.665 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOC)CCCCC1 1358973775 FGXUQMVHZZRLAE-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1359015437 SSCVJNNBYMHATR-REWPJTCUSA-N 437.588 4.510 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCc1cccs1 1359051594 CYKYTAFYXPAXPA-UHFFFAOYSA-N 447.029 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCC1(OC)CCC1 1359066711 LYGPVWSIHGPMAZ-OAQYLSRUSA-N 443.389 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359094265 YXKRFAYZNATOKK-AABGKKOBSA-N 445.489 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 1359114829 AYJAFJCURFTAOK-UHFFFAOYSA-N 427.559 4.688 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](CCC)C1 1359127856 CEYIFLLERIVJQL-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](c1ccco1)N1CCCCC1 1359244097 QNGOOVDITGYPHD-QHCPKHFHSA-N 449.599 4.916 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC(F)(F)CO1 1359268523 STWDHDBHICBQBD-DOTOQJQBSA-N 434.556 4.734 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1359315431 VBQGFLVUKWHFFO-SLFFLAALSA-N 445.489 4.892 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1359344073 KSYVBYXMVFRRAD-IBGZPJMESA-N 439.000 4.766 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1ncc(Br)cn1 1359905855 GIHPUSQEMJUTKJ-UHFFFAOYSA-N 427.689 4.611 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1359929517 HYMHPLVTSXOAIC-GOSISDBHSA-N 432.613 4.567 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](C)c2cccc(C)c21 1436457390 CMWGKGCKGQGBHT-CQSZACIVSA-N 443.341 4.947 30 10 IJEE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1C#N 1438708963 AGFDZHGWWCDKHQ-SFHVURJKSA-N 449.429 4.790 30 10 IJEE C#CCN1CCC(NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1 1455945939 NMLHXJSCCDFJEQ-UHFFFAOYSA-N 436.408 4.608 30 10 IJEE N#Cc1ccc2c(c1)N(C(=O)c1ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc1)CC2 1458533640 HEOJUVQTEBFQQN-UHFFFAOYSA-N 430.817 4.678 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1463781605 AEKLPZYHGXGYSD-AREMUKBSSA-N 441.616 4.981 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnc(C)nc1 1464810305 QVUOBNIKMXUKFX-XMMPIXPASA-N 442.519 4.597 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)c1 1467477359 FSPNFIBIIJBKEQ-PMACEKPBSA-N 449.448 4.927 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1476151012 SCMBRTAZUIBERI-KNQAVFIVSA-N 441.572 4.732 30 10 IJEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccccn2)c1)[C@@H]1CCCc2ccccc21 1477541857 LCYZWDMQGJVNIN-RUZDIDTESA-N 438.531 4.556 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 1477913752 VOSVBNSRYCWWRX-FQEVSTJZSA-N 444.373 4.800 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1507607257 NWPGEFMSQPRYSK-UHFFFAOYSA-N 442.611 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCC1(F)F 1507660428 TUVJDSYDAZVALA-RTBURBONSA-N 444.501 4.846 30 10 IJEE C#CCSCCn1c(N(C)Cc2scnc2C)nnc1C1(c2ccccc2)CCC1 1507759051 YKDSCZMFMSNQEN-UHFFFAOYSA-N 437.638 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1 1507799305 IZWWOMWEYPESDO-OXQOHEQNSA-N 448.489 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1cccs1 1507804713 MGFVNQZJQVBBJW-XXBNENTESA-N 438.597 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CCCCC1 1507814540 CQEINRGTYSEUKB-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=C(Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1507850245 DJTHPNXMGQNAFU-HFZDXXHNSA-N 438.616 4.905 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(C)C 1508018077 LWTQPIPEYWDTDK-UHFFFAOYSA-N 434.588 4.536 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCc2ccc(Br)cc2)C1 1508123346 MGKXEKAIFZMLST-FQEVSTJZSA-N 445.405 4.722 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1508152465 YZMUDNACIBEBHM-QFIPXVFZSA-N 438.597 4.906 30 10 IJEE CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1nccc(C(F)F)n1 1512832252 BXJVDPGLQYDZBN-HNNXBMFYSA-N 437.498 4.608 30 10 IJEE CCc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)s1 1513669015 CACMFFRGKJNBJB-UHFFFAOYSA-N 446.580 4.531 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c1 1518222347 BMOAYBVMZSAEES-UHFFFAOYSA-N 442.581 4.541 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)C(F)(F)F)cc1 1521343401 BTNSZKGAKACSCV-AEFFLSMTSA-N 445.466 4.736 30 10 IJEE C=CCc1ccc(OC(=O)c2cnc(Br)c(Br)c2)c(OC)c1 1523212788 MZMDHMCOVJVOSD-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)cc1 1523486962 UCKTUONFGIZCCR-OAQYLSRUSA-N 428.916 4.555 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)cc1Br 1525724969 HRFFCYDYROONAM-BHYGNILZSA-N 432.115 4.608 30 10 IJEE Cc1nsc(N2CCN(C(=O)c3cc(Cl)ccc3SC3CCCC3)CC2)c1C#N 1527591230 ASKWFTSMPPGZBS-UHFFFAOYSA-N 447.029 4.974 30 10 IJEE C=CCN(C(=O)COc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1529014653 LWKACSTWCNGLLB-IBGZPJMESA-N 436.335 4.561 30 10 IJEE C#CCN(C(=O)c1cc2ccncc2s1)[C@@H]1CCOc2ccc(Br)cc21 1529627626 SHLIDMWLNIPDFO-MRXNPFEDSA-N 427.323 4.658 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2C)CCCN1C(=O)OC(C)(C)C 1534670957 BPEUWEFWHIZCHS-OSPHWJPCSA-N 432.561 4.535 30 10 IJEE COc1ccc(-c2nc(C)sc2CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 1538230345 FNLPEHMRBGLWBG-UHFFFAOYSA-N 447.495 4.505 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(CN2CCCCCC2)CC1 1539077947 OAAMQMUXUZQGHW-UHFFFAOYSA-N 425.665 4.907 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCC1CC(OC(C)(C)C)C1 1539250887 UPPPKTSMUWOUKA-UHFFFAOYSA-N 442.966 4.794 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1ncc(C)s1 1539343133 FTDMCLBYOXPZPP-WBVHZDCISA-N 427.549 4.585 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1ccc(Cl)cc1 1539504572 KGNKVLKVPWGXTC-UHFFFAOYSA-N 446.407 4.692 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@H](C)C1 1539526988 RMMWUHOKTWOLLQ-HUUCEWRRSA-N 439.412 4.623 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(C)s1 1539579606 AFYSNIYIQLRFNB-UHFFFAOYSA-N 448.346 4.768 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ncc(CC)s1 1539585827 AUBBHGDFZGXPNV-UHFFFAOYSA-N 448.390 4.518 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1539685963 AWBJZJJNUOSWDO-ROUUACIJSA-N 433.394 4.924 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1(c2ccccc2)CC1 1539734898 GNDQHWKZEQMFDG-UHFFFAOYSA-N 437.975 4.754 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1539742838 LLOHLVLRKWWAJT-DEOSSOPVSA-N 447.583 4.981 30 10 IJEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(C)(C)C)CC1 1539849662 ZXFSYZFHEXBYKT-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(CCC)CC2)CC1 1539871436 NKVXUJBVFCXZFR-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccccc2OC)C1 1539926723 SNMWGUZZNHSPRB-NRFANRHFSA-N 448.615 4.745 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc2c(c1)OCCCO2 1539945929 WJKIEWPFPNZYMQ-QFIPXVFZSA-N 440.588 4.912 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1539960859 HUEZRRBIKZHVJP-MRXNPFEDSA-N 433.482 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CCN1CCCCC1 1540140317 MSRKMXMDSBYGJV-UHFFFAOYSA-N 437.613 4.694 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC(F)(F)CO1 1540140865 VCRIKAKRGVJQHO-GOSISDBHSA-N 446.523 4.632 30 10 IJEE COCCC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC#N)CC2)CC1 1555443062 ABMLBDKTGSHJSN-UHFFFAOYSA-N 439.629 4.826 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[C@@H]2CCCCO2)cc1 1555987227 CPCRIRANVIZRGU-IBGZPJMESA-N 433.478 4.555 30 10 IJEE C=CCN(C(=O)CN1CCOC[C@H]1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1559545413 XLWCINMLGPRNMS-OAHLLOKOSA-N 440.396 4.747 30 10 IJEE COc1ccccc1[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1559558664 ATJRIBPVVZXODD-LJQANCHMSA-N 446.526 4.542 30 10 IJEE N#Cc1ccc(NC(=O)CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1Cl 1559983040 DYXXAZCNFPKWEE-UHFFFAOYSA-N 437.758 4.669 30 10 IJEE C#C[C@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)c1ccc(Br)cc1 1560855115 QLXAHVQZEZLCNP-INIZCTEOSA-N 436.140 4.801 30 10 IJEE C=CCOc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1561555385 KQNMJQHXDJTETO-UHFFFAOYSA-N 439.377 4.768 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)CCCC1(C)C 1562355330 WVGRIYNMYIJFEP-HSZRJFAPSA-N 434.584 4.777 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)c1ccccc1 1564397087 XFYIRSAVABZVNL-CTNGQTDRSA-N 447.501 4.617 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1c2ccccc2OC[C@H]1F 1565341605 LQZGUZIBOMCMAO-IEBWSBKVSA-N 437.284 4.758 30 10 IJEE C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1583777404 BBVVWAYNIGMIRS-MRXNPFEDSA-N 431.467 4.722 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 1584654084 WVABMURFWYHZJM-INIZCTEOSA-N 425.326 4.577 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1584869416 UEWILJUJKMSOLE-ZJSXRUAMSA-N 447.579 4.907 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1586426069 JZWZFPXLPHAOMH-SFHVURJKSA-N 444.457 4.525 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1588266116 LSZKFSPYSFDBSO-WOJBJXKFSA-N 441.595 4.527 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@](C)(OC)C1 1589008143 TUGSXOXKLFXLRW-DEOSSOPVSA-N 426.630 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@](C)(O)c1cc(C)oc1C 1589150020 BQKNYXATMVYZIM-FDJWOJMMSA-N 446.595 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@@H]1CC 1589164438 USCXGLZQUQKYIR-CKJXQJPGSA-N 430.394 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)OCC 1589171573 KEDGWGBOBITTHF-MZNJEOGPSA-N 426.630 4.939 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1589421298 HUKJRVGIZWHJIV-BEFAXECRSA-N 433.394 4.981 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccco1 1589449691 MQANBKQCZNGGFO-QGZVFWFLSA-N 447.308 4.839 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C#N)CC1 1589503473 DMBCRJBLNRPNMO-FYYLOGMGSA-N 433.600 4.964 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCc2c(Cl)cccc2C1 1593757529 HIPMVSNTHDSRGX-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC(OCCC(C)C)CC1 1593923094 DWCCNURJVDHLCW-UHFFFAOYSA-N 436.959 4.780 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2c(CC)nn(C)c2OC)CC1 1594195024 ZAQQUINLCLSIQV-NRFANRHFSA-N 448.615 4.575 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](OC)C(C)(C)C)CC1 1594218539 JJNAQIXMIZVQSW-QFIPXVFZSA-N 442.604 4.816 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1594225505 BMLDPYZRNHYVGD-MRXNPFEDSA-N 445.995 4.914 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCCc2cccc(C)n2)CC1 1594429905 DXSLUNCNFYCKOH-UHFFFAOYSA-N 431.584 4.904 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(F)(F)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1594552793 SMEMLLABKNGKED-REWPJTCUSA-N 446.542 4.524 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1594767116 ODEZUFPGCKVKPW-UHFFFAOYSA-N 430.980 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1(N2CCSCC2)CCCCC1 1594885514 JSSRWMKOCGKZAL-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCC1 1595148950 DCAWAOFWQMLWPD-UHFFFAOYSA-N 429.977 4.553 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H]1CCOC1 1595191655 VEDDRWVEWHHEDE-QGZVFWFLSA-N 431.378 4.621 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=C)Cl)C1 1595700454 OEACWADTYRDNDE-IBGZPJMESA-N 440.931 4.651 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1595845272 QNZCFMLOHKTOGB-BHIFYINESA-N 426.630 4.887 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C)(C)c3ccc(Br)cc3)n[nH]2)c1C 1595868605 YXAZJVBURSJURO-UHFFFAOYSA-N 442.361 4.504 30 10 IJEE C=C1CCC(CNC(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)CC1 1597402414 IQYFLSIFZOIEHF-UHFFFAOYSA-N 443.267 4.525 30 10 IJEE C#CCN(C(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)[C@H]1CCCc2ccccc21 1611222684 HUBRBZAWQBTNEN-QHCPKHFHSA-N 429.516 4.582 30 10 IJEE Cc1ccsc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1611891472 DYRDHUZLQUUVHJ-LYHRCORUSA-N 427.618 4.745 30 10 IJEE CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1615527551 FLJBMNUCIWGDCH-UHFFFAOYSA-N 426.446 4.515 30 10 IJEE OC[C@H](CNCc1c(F)cccc1OC(F)(F)F)Cc1ccccc1C(F)(F)F 1620845672 GBGUIDSYYZZJOB-LBPRGKRZSA-N 425.344 4.684 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 1623666383 JPBXXJRMVNSCRX-UHFFFAOYSA-N 443.934 4.931 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(OCc4ccccc4)c3)n[nH]2)c1C 1623711795 UYZKILQWNYHWCK-UHFFFAOYSA-N 441.535 4.585 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1625057690 MPOXBDGMRIEELY-YADHBBJMSA-N 442.600 4.680 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)c1 1625249634 ZNKGMWIIKSDSGU-UHFFFAOYSA-N 436.533 4.812 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)Cc3c(Cl)cccc3Cl)n[nH]2)c1C 1631940177 DSQPGEIKVWQZAY-LBPRGKRZSA-N 432.355 4.744 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3Nc3ccccc3F)cc2C1=O 1637155315 JQPOPYTZUUEVFF-UHFFFAOYSA-N 433.414 4.743 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CCCN1C(=O)OC(C)(C)C 1637383281 AOFVLFMBWPJRQG-WXTAPIANSA-N 437.584 4.796 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 1638664700 YTXJYFIHGSPAPX-UHFFFAOYSA-N 430.483 4.952 30 10 IJEE C#Cc1cccc(CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 1639155133 RJUVSAMRXZXQIW-UHFFFAOYSA-N 429.907 4.566 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)C1 1640066048 DFKGFLIGOMEFON-HNNXBMFYSA-N 436.936 4.708 30 10 IJEE C=CCn1c(SCc2occ(C(F)(F)F)c2C(=O)OCC)nc2ccccc2c1=O 1643438525 QUJCLWLQBBHHTR-UHFFFAOYSA-N 438.427 4.663 30 10 IJEE N#Cc1ccsc1N1CC[C@H](Sc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)C1=O 1643727695 FJYLRSKYRUNPMM-ZDUSSCGKSA-N 436.349 4.609 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1)C(=O)OC 1652013446 PRTANVZSURFGHV-LJQANCHMSA-N 428.554 4.752 30 10 IJEE C=CCn1c(SCC(=O)COc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652348960 HSBFNZXKWILNAH-OAHLLOKOSA-N 440.590 4.509 30 10 IJEE C#C[C@H](NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)c1ccc(Cl)cc1F 1652446790 VIBBFWRMZANXEG-FQEVSTJZSA-N 447.938 4.593 30 10 IJEE Cc1c(C#N)c(NC(=O)CNC2(C(=O)OC(C)(C)C)CCCC2)n(C2CCCCC2)c1C 1652760868 DYYPSKITICIUMD-UHFFFAOYSA-N 442.604 4.664 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(c2cccc(Br)c2)CC1 1654281022 IFYCMRYCJKMYBU-SFHVURJKSA-N 440.385 4.964 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@H](C)c2cc(C)ccc2OC)cc1 1654672138 GHAYZFYLMNBHNR-SFHVURJKSA-N 446.551 4.581 30 10 IJEE C#CCC1(O)CCN(CC(=O)Nc2nc(-c3ccc(CCCCCC)cc3)cs2)CC1 1655430853 GZXCPNIGERAWLZ-UHFFFAOYSA-N 439.625 4.722 30 10 IJEE COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC(Oc2ccc(C#N)cc2F)CC1 1658561722 GBJMCZORGXEYOS-FQEVSTJZSA-N 437.298 4.762 30 10 IJEE C#CCN(Cc1snc(OC)c1Cl)[C@@H]1CCOc2ccc(Br)cc21 1658568641 AOYNKHSDYCYMSL-CYBMUJFWSA-N 427.751 4.527 30 10 IJEE Cc1cc(C2(NS(=O)(=O)Cc3cccc(C#N)c3)CCCCC2)ccc1Br 1664475531 IBJHWVCMMPLZFT-UHFFFAOYSA-N 447.398 4.908 30 10 IJEE C#CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCCc2ccccc21 1666028648 HOUJTZPQYRTLPT-ISJBWFOZSA-N 431.580 4.841 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 1668343379 RMQRVGBANPUHGG-IERDGZPVSA-N 447.938 4.627 30 10 IJEE C#CCN(C(=O)Nc1cnc(Cl)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1669964108 ANJJVWGKOSSKPC-MRXNPFEDSA-N 434.721 4.797 30 10 IJEE C=CCN(C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1)[C@H](C)COC 1670567975 BGZNFPROLPRVTG-CQSZACIVSA-N 428.480 4.598 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)c1ccc(Cl)cc1F 1673320958 HIEZKEHYPAICSK-FGZHOGPDSA-N 431.939 4.543 30 10 IJEE C=CCCCCCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1673736998 JINCVBXFBBIGCK-NJNXFGOHSA-N 434.606 4.538 30 10 IJEE CCC(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N1CCOCC1 1676856060 AWDIUMVKHASAED-IBVKSMDESA-N 448.611 4.722 30 10 IJEE C=CC[C@H](CO)NC(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1678890105 NWKQVTTUEKCMKZ-YLJYHZDGSA-N 447.373 4.715 30 10 IJEE C#C[C@H](NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)c1ccc(Br)cc1 1679183650 GUPZQCAEERNGMZ-JXFKEZNVSA-N 428.374 4.552 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](CC)Oc1cccc(Cl)c1)c1ccc(Br)cc1 1679947892 XWXBWEFGNRSFFM-IEBWSBKVSA-N 435.749 4.934 30 10 IJEE C[C@H](CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1cccc(C(F)(F)F)c1 1680048968 CUVHPOMKQKAYMY-MRXNPFEDSA-N 448.464 4.742 30 10 IJEE CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1680490959 DCEZAKWMHJPVMP-XTWGIRIWSA-N 436.556 4.628 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCC3(c4cccc(Cl)c4)CCC3)CC2)c1 1682384474 GSLRPKFORQLCCO-UHFFFAOYSA-N 436.987 4.597 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1682502160 LDNJMQUTJQNXBB-TYPHKJRUSA-N 439.353 4.782 30 10 IJEE C=CCC1(NC(=O)NCCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CCCC1 1683053925 KMPUJXWTUTWMNI-UHFFFAOYSA-N 435.568 4.743 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)CC1 1684065576 FSWMONNTENOHKN-NYVOZVTQSA-N 427.589 4.867 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(OC)CCC(C)CC1 1689842662 GIBULQVXZOTTTM-PSCUFVCCSA-N 445.405 4.761 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCCS1 1690064894 CIGJZKPSGQCWCD-FQEVSTJZSA-N 433.419 4.761 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[C@@H]1C 1690094304 YOBJUJAUNXNPJS-GBESFXJTSA-N 430.980 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1690236237 KDHDSTSPVRAYIB-PSBKLILYSA-N 428.577 4.551 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)(C)CC1 1690240760 KJVWGWMRLGWYJH-SIKLNZKXSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H](O)C1 1690260262 FQFRSOQCHINRQV-IAGOWNOFSA-N 433.394 4.661 30 10 IJEE C=C(C)Cn1c(N(C)CCCc2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690296673 FOBAFUMVSCUZEM-OYRHEFFESA-N 439.604 4.694 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2csc(CC)n2)CC1 1690367332 KHKWANKPHZOLHH-UHFFFAOYSA-N 444.402 4.931 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1690499988 IDFKZXRBIFJXJF-PXNSSMCTSA-N 432.515 4.908 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCSC1 1690555829 FSKKYVOQWNBQMI-NHCUHLMSSA-N 442.629 4.517 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CCc1nc2c(s1)CCCC2 1690572254 XOKHHKXAPVFLJH-UHFFFAOYSA-N 425.577 4.750 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1690607304 JVPSXPAPLSURKN-JTHBVZDNSA-N 435.572 4.619 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CC(F)(F)C1 1690733938 RBQSXLKSYBLZRP-UHFFFAOYSA-N 449.571 4.548 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2cccs2)c1 1693031753 APBHWUOWVUODJU-DEOSSOPVSA-N 435.597 4.908 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1694844637 DEPAHGJFCCGHMK-KOUHRCEDSA-N 439.629 4.885 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@](C)(O)C1CCCCC1 1705546447 CSPPTZMOKXSQHS-AREMUKBSSA-N 448.567 4.518 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CC2)C1 1705666809 XWNVURCVWHXNQZ-KRWDZBQOSA-N 433.046 4.827 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1705683251 CDOAJSHFNVIYMO-AWEZNQCLSA-N 425.758 4.512 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1705683815 DUZUXURQJOLJEV-WMLDXEAASA-N 449.374 4.783 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC(F)F 1705696072 LIXMFDFBRIVPFP-KUHUBIRLSA-N 440.922 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1=CCCOC1 1705712405 SEFQEDVKQADRAS-UHFFFAOYSA-N 434.540 4.866 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](OCC2CC2)C1 1705723094 ZDQHVIJVOZLEPW-KRWDZBQOSA-N 449.368 4.818 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC(C)C 1705753524 CAVPVJPWWGDSAF-KRWDZBQOSA-N 426.005 4.627 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1705757643 SKJZGHMOXXRRAK-KRWDZBQOSA-N 435.018 4.930 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705758762 CROOAKNTWNMQOZ-IBGZPJMESA-N 432.996 4.956 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1705763628 ZIARRJMCOGICKK-JTAQYXEDSA-N 440.588 4.788 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCCN(C)C2CCCCC2)CC1 1705771257 MMQDXXVJXONKCC-UHFFFAOYSA-N 437.632 4.711 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1705772141 JSCMKQJLTKRAKB-OAQYLSRUSA-N 441.576 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705794185 YDMCREXFTFAAPM-HDICACEKSA-N 442.558 4.846 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1705804861 QBZCGKBGOIHGEV-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1705809244 LLBDHGXMPUWSTG-KRWDZBQOSA-N 448.036 4.543 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705887552 MXUNBPOOBWXJFP-LBPRGKRZSA-N 429.334 4.827 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H](c1ccccc1)N1CCCC1 1706126438 AGGHFMRBWDVCRL-QHCPKHFHSA-N 434.632 4.834 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCC1 1706255284 BQFNYMFPDRUJMV-QPPBQGQZSA-N 441.023 4.849 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOc2ccc(Cl)cc2)n1 1707595112 FJGXWENUZXXGCZ-HSZRJFAPSA-N 436.947 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCCS1 1722276635 JENGCIGGKDALHH-WAOWUJCRSA-N 428.602 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC1=CCCCC1 1722396904 FFAKFTVWMJJVKD-UHFFFAOYSA-N 425.536 4.954 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCOCC 1722493246 IRNNDOREWHRBRD-IFMALSPDSA-N 426.605 4.697 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCCN1CCC(C)CC1 1722498218 SFJZYUWCJVVKIJ-HHHXNRCGSA-N 449.643 4.534 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(OC(C)C)c1 1722503195 BUFDWXIIFJQWEK-XUZZJYLKSA-N 449.599 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1 1722505416 BODUSFDGCXUKSE-DSKINZAPSA-N 429.634 4.954 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCOC(F)F)CC1 1722568452 MPCCKCOWJMXRID-UHFFFAOYSA-N 434.531 4.940 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(F)(F)F)CC1 1722604504 BUTRDXJJWNAIAL-IBGZPJMESA-N 436.478 4.926 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)c2ccccc2)CC1 1722606811 UYWYKODQZGDUEZ-UHFFFAOYSA-N 447.631 4.601 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722610233 NDGHRTDEOHOOAE-HXUWFJFHSA-N 446.599 4.653 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCOC1 1722620046 BHVUTUCIHRFSAD-MRXNPFEDSA-N 439.387 4.993 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722628828 HTBAVULWQZHNEP-HDICACEKSA-N 443.542 4.670 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H](OC)C(F)(F)F 1722632998 BKEBKGGWSFYMSA-XJKSGUPXSA-N 432.874 4.661 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCn1cc(Cl)cn1)C1CC1 1722646636 JZITYYPPSGQLQJ-HNNXBMFYSA-N 447.370 4.776 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(O)c1 1722663946 LVOVZGHFABNKSF-OAQYLSRUSA-N 440.569 4.536 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722735803 UHTSQOYAZIZBKU-HXUWFJFHSA-N 430.618 4.657 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(C)(C)C2)CCS1 1723235018 DHCMNWNGDGWPKG-NRFANRHFSA-N 439.629 4.743 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCC[C@H]1C 1723386505 AZEYTMFBUDQPLT-WZONZLPQSA-N 429.996 4.916 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)C)CC1 1727884112 CUFQAJACHWNXTE-UHFFFAOYSA-N 436.604 4.528 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1740594527 PGQHHLCDGDKGGO-UHFFFAOYSA-N 449.624 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@H](C1CCCCC1)N(C)C 1740733069 ZUNBGRSIIYVMDR-ZEQKJWHPSA-N 437.607 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1C 1740765662 BLXRJDRKFWMDAH-SVMVAKDDSA-N 428.602 4.549 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC=C(COC)CC1 1740787572 GJLXVEUOWUQERE-SFHVURJKSA-N 442.629 4.507 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1740802999 FWJYVXVVMHTMIY-KRWDZBQOSA-N 444.004 4.991 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1740821921 BSPOGZVMULABIX-UHFFFAOYSA-N 441.482 4.545 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740844422 ZGGALRJETHEENE-FGZHOGPDSA-N 435.616 4.623 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740852571 PLRWTKHTAZTEHM-UWHLTILDSA-N 431.669 4.718 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)NC(C)C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1740855206 FEOSFZWIZBSRGY-IRXDYDNUSA-N 429.531 4.893 30 10 IJEE C=CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740860910 USGIISFTDYEKMQ-KNQAVFIVSA-N 436.556 4.681 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1740872792 WFQQOKUMSMQUMZ-GOSISDBHSA-N 436.560 4.810 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(Cc1c(F)cccc1F)C1CC1 1740879602 OSPOZQWPCYYIQY-UHFFFAOYSA-N 426.515 4.553 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCC(C)CC1 1740894132 JSUKOFKIXJTPHG-IBGZPJMESA-N 427.662 4.876 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCc1ccc(Br)s1 1740895123 RUDLGHTWBYDYCX-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@@H](C)C1 1740913192 AAHIMBORKWAVPP-FPOVZHCZSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCOc1ccccc1C 1740921921 NTOGHZIUKTZZLE-UHFFFAOYSA-N 431.565 4.982 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCN1CCCC(C)(C)C1 1740922102 URGFHMBTNAHJQV-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCC(C)=C(Br)C2)cc1 1740965630 CZPCBJJCRXYJAR-UHFFFAOYSA-N 429.362 4.648 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1744853383 DTJRDULBHLYWJZ-DLBZAZTESA-N 445.409 4.992 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS[C@H](C)C1 1748702369 FEVSOXRRAIFGLR-LJQANCHMSA-N 436.581 4.862 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1748737115 XMGHTJZPKXPAIE-QUCCMNQESA-N 442.991 4.738 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)C(C)(C)C 1748912508 FNMNRFQZJLJFIC-IBGZPJMESA-N 437.613 4.898 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCC(F)(F)C1 1748915081 PBOAPGIQRNBBQA-CQSZACIVSA-N 440.336 4.711 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1749419568 KUZVHNNMYMUZIK-JOCHJYFZSA-N 437.975 4.910 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1Cc1ccsc1Br 1749500085 USLANFDGVMJXKR-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCCc1cnn(C)c1 1749539074 SGIKZLDAPZFKOW-UHFFFAOYSA-N 447.974 4.552 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)CCC(C)C)C1 1749703321 GHSNCDJFPBNQQW-MBSDFSHPSA-N 432.996 4.567 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CCc1cccc(F)c1F 1750792768 HPMPTUHWJAQDME-FQEVSTJZSA-N 431.531 4.807 30 10 IJEE Cc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)cs1 1751791130 HVHUKRJWUDIKKJ-UHFFFAOYSA-N 441.004 4.660 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCC1(C)C 1760195116 WVSVMVFJKDIOPK-LEWJYISDSA-N 434.584 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)C(C)C 1760226801 KCYMMWRBROFJJT-UHFFFAOYSA-N 433.394 4.858 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)c1nccs1 1760239730 TYVKJXNPFHWXBK-HNNXBMFYSA-N 432.018 4.944 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1760333652 CVZWFGJEMZWNEC-UHFFFAOYSA-N 448.615 4.630 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H]1CCSC1 1760352511 YWPCSKCDBUJYIR-WMZOPIPTSA-N 432.659 4.666 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1760364214 JOHJMDQDPLGLGS-UHFFFAOYSA-N 437.613 4.600 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](COC)OC)CC1 1760382283 NDQYQUOIRMPBGV-ICSRJNTNSA-N 448.995 4.506 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1760406248 YCBJZFIQHXSYHY-LJQANCHMSA-N 441.645 4.586 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOc1ccccc1C)C1CC1 1760471446 WEVNJUXRMPWBPF-UHFFFAOYSA-N 442.361 4.578 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C(C)C)N1CCCC1)C1CC1 1760471908 NNRGIMMCQZPVQN-NRFANRHFSA-N 444.023 4.882 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1763326227 AOOSVJJDQKXPPN-NFBKMPQASA-N 434.632 4.954 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(OC)cc1 1861843161 KWZSHPPHOUVQDP-XMMPIXPASA-N 442.575 4.581 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1862151494 BYWTYBSQELGWCN-SDNYCIMKSA-N 443.374 4.935 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C)cc1 1862412757 MYFTVVJINUYGRE-QFIPXVFZSA-N 442.506 4.583 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)ccc1O 1862480976 TYLLVDHPYQTPBW-BTCOZLQPSA-N 435.520 4.866 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(F)cc2F)c1 1862490721 CEFPIGNZZUFIAR-QFIPXVFZSA-N 442.506 4.502 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862533692 NAZRQTVUELCPAV-DEOSSOPVSA-N 442.515 4.821 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862533856 MBIOXHKHYTVXGG-DEOSSOPVSA-N 437.499 4.904 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(F)cc1F 1862535097 WWUZAFWYQDUIPZ-OAQYLSRUSA-N 429.463 4.532 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1CCc1ccc(F)cc1 1862555473 WBFPXUJWZLGDSY-QHCPKHFHSA-N 430.479 4.537 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(O)c1 1862613870 RLTZYACBKPYRLZ-JOCHJYFZSA-N 437.536 4.693 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650636 ZQBKTPKJMYGNGA-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862660853 NTXBVMFAUJKPJZ-OAQYLSRUSA-N 426.944 4.603 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 1862687379 KFNNRAIYQBUYJW-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc3ccccc23)c1 1862704990 NWSSFXGPAIOHDV-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C(=O)O 1862726519 IKBWESYIYUWMFW-QHCPKHFHSA-N 439.467 4.816 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc4cccnc34)=C(c3ccc(F)cc3)C2=O)c1 1862768793 GJYPVLJGLOECCP-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c([N+](=O)[O-])c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863287103 GVTVTYMJGWYPLG-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)CCc1csc(-c2ccccc2)n1 1868906512 RWNKXKOJHQDBEJ-NRFANRHFSA-N 425.598 4.618 30 10 IJEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)c2ccc3cc(Cl)ccc3n2)c1 1870162392 RYCNXDPICAGNOL-UHFFFAOYSA-N 430.899 4.890 30 10 IJEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(Cc2nc3ccccc3[nH]2)CO1 1871349386 QXFMDVJAVYSRTK-JJFYIABZSA-N 427.435 4.670 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 1871972793 KFGUMIGERZTAAT-QFIPXVFZSA-N 432.561 4.898 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OC)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872040307 LPZAWGQPDDKJKO-WZONZLPQSA-N 444.597 4.542 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872138325 SEDMCAYYTCNIGS-XMMPIXPASA-N 434.561 4.860 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)C(C)C)S(=O)(=O)CCCC 1872154468 RJLIJBNHRWNFFP-HSZRJFAPSA-N 449.661 4.648 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872257378 FRXWAPYTNFETAW-INIZCTEOSA-N 438.952 4.608 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872368362 GKQBFCFZFXMKOA-NRFANRHFSA-N 436.524 4.566 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(OCC)cc1 1872512371 SVXKGMJJRVEGAE-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)C1CC1 1872587270 CKKKECZBKRKVKV-QHCPKHFHSA-N 449.661 4.709 30 10 IJEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872776101 IFLOCAUXKSBTLL-QRWLVFNGSA-N 443.528 4.794 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCCc3cccs3)cc2[nH]1 1872806545 SWAHTEDUGGXNTI-UHFFFAOYSA-N 433.533 4.741 30 10 IJEE O=c1c(Cl)c(N/N=C/c2c(O)ccc3ccccc23)cnn1-c1cccc(Cl)c1 1873526757 UVLKFCABKRSEGR-BHGWPJFGSA-N 425.275 4.844 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCc3ccc(O)cc3)ncnc21 1873641352 NZWWAHQCQGTCBC-UHFFFAOYSA-N 427.508 4.804 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCCO)n2/N=C/c2ccc(Cl)cc2)c1C 1874255919 PHZHTEZFPDDWKD-ZMOGYAJESA-N 444.988 4.792 30 10 IJEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874282250 UENLTDJHYVUYKU-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccnc2)cc1 1874306429 WKWULKRCGGENCP-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)cc1 1874349136 WRDLVVVEMJQURZ-WGOQTCKBSA-N 429.549 4.755 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCCCO)nnc1-c1ccccc1Cl 1874367675 DKDJEPSSGVMGGL-HZHRSRAPSA-N 428.945 4.520 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(C)cc1 1874391930 YAQQOWHHWGIJLW-DUYBAWCLSA-N 435.597 4.581 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2)cc1 1874415882 MKEBVBROVXKSRY-YZSQISJMSA-N 441.560 4.790 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCC2)c1 1874493732 BQIONQDMOSFISU-MFKUBSTISA-N 449.580 4.866 30 10 IJEE COc1cc(/C=N/n2cnnc2SCc2cc(C)ccc2C)cc(Br)c1O 1874538952 GIRQWGWXHUYMIP-LSFURLLWSA-N 447.358 4.546 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 1874603078 LGNFEFFNWRYNKM-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)c1 1875102591 YIISAUNYIXFEQJ-ZRDIBKRKSA-N 447.443 4.874 30 10 IJEE CCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1875116047 IJBVGERUBUHUSV-BJMVGYQFSA-N 448.269 4.968 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1 1875136106 XSXKBASZSDOCRS-XYOKQWHBSA-N 432.388 4.927 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OC(C)=O 1875167852 KYKUCEKYJCNAIK-AATRIKPKSA-N 425.264 4.841 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(OC)cc1Br 1922066623 VJAJCHSJMZFLBW-FGZHOGPDSA-N 434.374 4.632 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1999931752 PRGYBKYHXDLBIZ-HRAATJIYSA-N 436.557 4.853 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC2(C)C)cc1 2040579881 UEBYCQZNKLEUDE-DEOSSOPVSA-N 445.560 4.976 30 10 IJEE CC1(C)OB(c2cc(C(F)(F)F)cnc2N(Cc2ccccc2)C2CCC2)OC1(C)C 2052609923 DWOCVAXJEMZERZ-UHFFFAOYSA-N 432.295 4.959 30 10 IJEE C[C@H]1C[C@@H](CNc2ccc(C#N)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2115936298 KBMZBWJUBNNOII-STQMWFEESA-N 426.330 4.765 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1ccc(C#N)c(Br)c1F 2118150717 HMVXBGKMTBKDJR-WFASDCNBSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2124540040 BYLJKIWSGMLVKL-UHFFFAOYSA-N 444.381 4.517 30 10 IJEE C[C@]1(C(F)(F)F)CSC(=NCc2c(Br)cccc2Br)N1 2161388712 PRXKUAKUTVWTND-LLVKDONJSA-N 432.103 4.725 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(Nc2cc(Br)c(C#N)cc2F)C1 2182455128 QCBJJXWPIXOXOT-RTBURBONSA-N 442.304 4.753 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2235729158 MPKSPTXLOBSEPK-OALUTQOASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251303356 YRDYKDIWJPJLNE-DHZHZOJOSA-N 436.745 4.604 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2262199576 JIZLJWFESCFUJL-NNPDTBDGSA-N 447.572 4.655 30 10 IJEE CC1(C)OB([C@H]2C[C@@H](C(=O)N[C@@H]3CCN(Cc4ccccc4)C4(CCC4)C3)C2)OC1(C)C 2267116591 PACHDKPWBDBOJN-BHIFYINESA-N 438.421 4.562 30 10 IJEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267559701 SXALVXBEKAZPJH-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE C=CCCC1([C@@H](N)Cc2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281055341 GQPWSAWWRQDJID-INIZCTEOSA-N 445.348 4.800 30 10 IJEE CC1(C)OB(c2cnsc2C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C 2282025306 NAGKHFXMJWVZOO-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2cccc(Br)c2)CC2(CCCC2)C1 2296232845 QUGWVSFTHRAATH-GOSISDBHSA-N 434.374 4.779 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1CC 2296285729 DFZVQJUZKNJUMM-KPLVRAHFSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 2296298281 IOAWXKLTOMAKOJ-LSTHTHJFSA-N 435.406 4.672 30 10 IJEE CCCC1([C@H](C#Cc2ccc(Br)cc2)NC)CC(NC(=O)OC(C)(C)C)C1 2296306979 ORSBLBPIUXSAIW-LVIWNVNYSA-N 435.406 4.862 30 10 IJEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1cccc(OC)c1)C2=O)c1ccccc1 2296867262 FQECQSFSLPSTOO-RUZDIDTESA-N 430.456 4.995 30 10 IJEE COc1ccc(C)cc1NC=C1C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 2297378326 BCGZZRAGJBEIBJ-UHFFFAOYSA-N 440.546 4.551 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317336006 OVYFPYZRIUXWJE-ROUUACIJSA-N 429.370 4.584 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CC2)c1 2320844312 WCTBNLGAKXNMGH-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccccc1Cl 2320936377 XLLXVMVOTAGCBR-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(N(C)C)cc2)C4=O)cc1 2321944943 UNXAJBJLKSEFPH-UHFFFAOYSA-N 442.515 4.730 30 10 IJEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1OC(=Cc1ccccn1)C2=O 2322931731 IRRKZCHXPWOJFR-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2323118394 NFHPGVBTCSBDDP-UHFFFAOYSA-N 434.419 4.743 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])Nc1ccccc1 2323723780 DGMDPVOFRTWCEF-UHFFFAOYSA-N 438.386 4.787 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OCC(=O)OCC(C)C 2323813421 KFKQRQUJJPWDSJ-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCC(N)=O)c([N+](=O)[O-])c2)cc1 2324209872 DFOVUKLNIVCOHJ-UHFFFAOYSA-N 440.496 4.704 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2324451137 FCSWIOHPSUCGGQ-INIZCTEOSA-N 445.471 4.726 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)c1 2325706834 FYRQSYMJKWGUKT-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326243410 NYRYIZKCSXDXCQ-UHFFFAOYSA-N 428.533 4.950 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)cc1OC 2330727041 PSUFJKWMBVIMJD-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE COc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3cccc(OC)c3)cc2OC)cc1 2330777786 IGKPDZHKICCCDZ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@@H]1CCCO1 2330910381 WAPNXIUZIYQBHM-SFHVURJKSA-N 432.908 4.802 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2O)cc1 2331037138 IZDDQYQTUYZVPY-UHFFFAOYSA-N 449.580 4.817 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 2331150178 DQILMFVMYRIZJL-UHFFFAOYSA-N 440.834 4.823 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccc(F)cc1 2331322708 HLVDQAVVKSQACN-UHFFFAOYSA-N 439.560 4.935 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cc(OC)c(OC(=O)c2cccnc2)c(OC)c1 2331352151 LLBDTTRYDHBKKW-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1 2331360240 QBCCDLQGMYPSTN-OAQYLSRUSA-N 445.309 4.747 30 10 IJEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c1C 2331396644 YXVATESHYFQDCM-UHFFFAOYSA-N 444.483 4.955 30 10 IJEE COCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2331595593 NNWBPTUYBCUBDC-UHFFFAOYSA-N 433.416 4.835 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)c1ccccc1 2331895313 HLDRSBZZFYTJFF-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1 2339535339 HFHCKPLLISHLBH-UHFFFAOYSA-N 445.413 4.645 30 10 IJEE Cc1cc(CNCC2(CCOCc3ccccc3)CC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343651976 WCLAAGDDJZTEES-UHFFFAOYSA-N 435.417 4.771 30 10 IJEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc(Br)c1O 2610565 DUBXSGWVVPQTKQ-YVNNLAQVSA-N 447.358 4.628 30 10 IJEE COc1cccc(CN/C(=N\C(=S)Nc2cc(C)ccc2C)Nc2nc(C)cc(C)n2)c1 14156075 YUWQAJPUNIHTIA-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE C=C(C)C(O)(C(=C)C)c1ccc(CN(CCCOC)Cc2ccc(OC)c(OC)c2)o1 36167769 VOGVCFVBYVLDBM-UHFFFAOYSA-N 429.557 4.675 30 10 IJEE CCCCN(C)Cc1c(O)ccc2c1O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O 37857898 DYJHEECXHLSXDY-KEBDBYFISA-N 429.900 4.760 30 10 IJEE CC(=O)Nc1cccc(C(=O)/N=C(\NCc2ccccn2)Nc2ccc(C(C)C)cc2)c1 46125902 MRKODHCVMSUQFU-UHFFFAOYSA-N 429.524 4.562 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2c(F)cccc2Cl)c(C(=O)OCC)c1C 96507606 CLLSOBHLMKQMNC-UHFFFAOYSA-N 425.865 4.621 30 10 IJEE Cc1ccc(C)c(CN2C(=O)/C(=N\NC(=S)Nc3ccccc3F)c3ccccc32)c1 101678007 RPIBGUBSVFNTDV-QYQHSDTDSA-N 432.524 4.680 30 10 IJEE C=CCOc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102483091 NETXJSACVRRLNH-SADKCHQCSA-N 446.528 4.951 30 10 IJEE Cc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)c(C)c1 105337310 BYXSPXWAKWCBKW-UDWIEESQSA-N 442.537 4.990 30 10 IJEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N[C@H](C#N)c1ccc(F)cc1F 111028865 LNUSMGITHAPYPM-DGSRBQDKSA-N 440.881 4.874 30 10 IJEE CCOc1cc(/C=N\Nc2nc(C)cc(=O)[nH]2)ccc1OCc1c(Cl)cccc1Cl 169887615 VOFOIYORDBTOHW-MYKKPKGFSA-N 447.322 4.809 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2C)cc1 169926665 VPEMYHFIBJVFQD-XMMPIXPASA-N 441.483 4.721 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccn2)cc1 169994772 PYYDQHDEHIZAAX-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2cccnc2)cc1 170004978 SXMZCVYDTQLCJT-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1 170006818 LTWXNGHWKMKAHG-NRFANRHFSA-N 434.879 4.917 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1 170023914 FHTJEMATCCERQF-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2F)cc1 170069807 JRJJGVZPASYIBM-LJQANCHMSA-N 438.480 4.691 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)c1 170083006 UJTURHLRQMGUAM-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(O)cc1 170131365 FXYMURACWBDSKA-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccs2)c1 170156268 XAPDWAVWOPOIRJ-OAQYLSRUSA-N 433.485 4.877 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1cccs1 170160557 DFLBBEWKQYXIDB-FQEVSTJZSA-N 439.464 4.693 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@@H]3c3cccs3)ccc2O1 170161260 IGXJXHNUCAWMEY-RCDICMHDSA-N 442.496 4.726 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccs1 170165935 XSFRFVGORZMLNZ-QFIPXVFZSA-N 438.593 4.547 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccn2)c1C 170172932 BRJNNWOPWSYIEM-GYCJOSAFSA-N 440.499 4.805 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccnc1)c1cccc(Cl)c1 170184458 QOYYOQFSTNFSLP-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)cc1C(C)(C)C 170196940 DZHPNEHFAWYSBA-JOCHJYFZSA-N 434.536 4.909 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 170237926 NHJXDWWSFFQBQP-QHCPKHFHSA-N 433.479 4.982 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1sccc1C 170318483 NRGWIJXRPBOROC-HXUWFJFHSA-N 440.609 4.802 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC 213042531 WNVHSNANWJVQBB-LUAWRHEFSA-N 449.334 4.677 30 10 IJEE CCN1/C(=C2/SC(=Nc3ncn[nH]3)N(C3CCCCC3)C2=O)Sc2ccccc21 254623732 HWTNYVDBBAHUCP-SKTUNHTOSA-N 426.571 4.502 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)CCCc2ccccc2Br)CC1 438604708 DTYOILOGCGHTGW-UHFFFAOYSA-N 442.357 4.545 30 10 IJEE N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(-c4cccc(Cl)c4)no3)ccc21 470845931 VVZXZMVUHYOMLW-UHFFFAOYSA-N 434.883 4.830 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)NCC[C@H]2COc3ccccc3O2)cc1 484607432 QLZBPQMQIUPQAY-FQEVSTJZSA-N 430.529 4.810 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)c1 526744868 ZJQUYBNYMJRUIF-QFIPXVFZSA-N 445.446 4.785 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 532126134 VWECGAAKCAZBTL-KRWDZBQOSA-N 445.629 4.661 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)c1 586139526 NKWIZJOXBLTHIS-GOSISDBHSA-N 436.533 4.528 30 10 IJEE Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)c(C)n1-c1ccc(C#N)cc1 728270324 HTRBPUUZMWEZNF-GOSISDBHSA-N 426.520 4.584 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)Cc3cccc(C(F)(F)F)c3)c2)s1 739975903 HYJBKFOFSXWXKE-UHFFFAOYSA-N 436.480 4.925 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=S)NC2CCN(C)CC2)=C(/O)c2ccc(C#N)cc2)cc1 762440992 QHWIPKVIHRZOQR-UHFFFAOYSA-O 449.644 4.644 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2F)n[nH]1)c1ccccc1 1084212794 CAVZZZPWFQTIRY-UHFFFAOYSA-N 432.912 4.554 30 10 IJEE Cc1cc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)ccc1Oc1ccc(F)cc1 1125524466 BPOHKJSCSALHAG-UHFFFAOYSA-N 426.451 4.914 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3ccc(CCC)cc3)C2)c1 1125777503 ACXMYAZGDBYMHW-JOCHJYFZSA-N 426.516 4.800 30 10 IJEE CC[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)Cc1cccc(Br)c1 1126274779 DCXBMRIFQWTLAX-JTSKRJEESA-N 440.385 4.675 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(OC)cc2Br)cc1OC 1127652108 VQXUFLRJXIJALA-QARUFBMTSA-N 446.341 4.922 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)C(C)(C)C)cc1 1128251796 JMVVYBAIYFICNM-HSZRJFAPSA-N 434.580 4.736 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1136493681 JYSZANZKVUVHBL-SFTDATJTSA-N 434.552 4.583 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1cccc(C)c1F 1197154006 CYLBXVHFJIWULP-UHFFFAOYSA-N 434.515 4.887 30 10 IJEE COc1cc(C#N)ccc1NC(=O)NCC1(c2cccc(Br)c2)CCCC1 1203009399 DBNQKKLUZYALIE-UHFFFAOYSA-N 428.330 4.963 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)C1 1219030509 AYTSNLOPGMLZSO-GOSISDBHSA-N 430.524 4.588 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1231221471 NEFFRZUCKPCYPG-LEWJYISDSA-N 443.588 4.552 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1 1253779488 PERQJGMOXYZRAS-LJQANCHMSA-N 430.545 4.910 30 10 IJEE CN(C(=O)COCc1ccnc(O)c1)C(=Nc1ccc2ccccc2c1)c1ccccc1 1264296218 IFAFBDPRYVGWPG-UHFFFAOYSA-N 425.488 4.694 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc2c(s1)C[C@H](C)CC2 1286301477 LNOCISGMZBKJRD-IEBWSBKVSA-N 449.624 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCSC(C)C 1286304023 DLYJWOGVKGRGED-AWEZNQCLSA-N 427.401 4.763 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1286537959 GZSXEBUCFXVNFJ-CVEARBPZSA-N 436.423 4.668 30 10 IJEE C=C(Cl)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)(C)C)CC1 1286622262 DBPIASYOTWMNNY-UHFFFAOYSA-N 434.053 4.949 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1286632480 ATYXDLIVBBYVCJ-TZMCWYRMSA-N 425.758 4.607 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1286640544 KSYZSNIWJXAUGP-LJQANCHMSA-N 436.991 4.670 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](C2CC2)N(C)C)CC1 1286648848 QSIUPRZOZOVKCN-HSZRJFAPSA-N 437.632 4.786 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2conc2COC)CC1 1286655518 NKYZZFDCXDCXGD-UHFFFAOYSA-N 435.572 4.828 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1286686414 FNAZBVSHMDRSAW-UHFFFAOYSA-N 430.600 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(C(C)C)C1 1286745528 VDKWEUJDFLLLMZ-NZQKXSOJSA-N 441.595 4.582 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2c(C)noc2C)cc1 1286794381 FDMXBJRUNHGVGJ-UHFFFAOYSA-N 444.539 4.503 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1286831199 BFFZMRYTQFEOGU-NRFANRHFSA-N 446.064 4.506 30 10 IJEE CCC(CC)c1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)on1 1291976298 AZXVVBTYQKBGMW-OAQYLSRUSA-N 426.565 4.590 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(OCc2ccccc2Br)c1)C(=O)OCC 1298021961 XBSUOOAMPPIYSA-HXUWFJFHSA-N 446.341 4.656 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1301056706 HPLNTHTYLQIQNP-CXAGYDPISA-N 439.785 4.997 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1301087549 LBVOSNHHFYAIEH-DEOSSOPVSA-N 447.583 4.595 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CCC(C)C)CC2)CC1 1301087729 RTAFJTBQBFFZND-UHFFFAOYSA-N 439.623 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCOCC2)C1 1301139760 VJRJZNRBWGSCFM-UHFFFAOYSA-N 448.409 4.645 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1301246039 OPRVQLGSVMHLEB-HDICACEKSA-N 445.405 4.701 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1301309655 USVAUDWVUSVAKA-PMACEKPBSA-N 439.648 4.853 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1ccco1)C1CC1 1301313552 BEHOJKHSGXYQFW-WAIKUNEKSA-N 442.947 4.727 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(Br)s1)C1CC1 1301323938 XIJLDSXYQDIILB-INIZCTEOSA-N 437.407 4.741 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cccs1 1301334267 GBYSTXQHXRQNSJ-XMMPIXPASA-N 440.613 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)Oc1ccccc1 1301363753 ZRMSDEKOZSKBNM-WOJBJXKFSA-N 438.597 4.894 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1301614999 CZIVFCROKIBTJI-MRXNPFEDSA-N 429.540 4.659 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@](C)(O)c1ccco1 1303065290 AFQQGWYFAHFRKZ-RUZDIDTESA-N 446.555 4.693 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1 1306318140 FDQPCEHMPKMUQH-SIKLNZKXSA-N 432.572 4.872 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 1306363145 HUONEKHWXOFGLD-OAQYLSRUSA-N 434.613 4.808 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)c1 1312011178 DJGHKIXDPUWDPV-GOTSBHOMSA-N 428.536 4.588 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)[C@H]1CCCc2ccccc21 1312744121 AUBOHAXREQOIRG-OWAUWMPXSA-N 447.554 4.600 30 10 IJEE CO[C@@H]1CC[C@@H](N2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccsc2)C1 1320816250 CFKGLIMFHACTKC-QRVBRYPASA-N 443.594 4.584 30 10 IJEE C=CCN(C(=O)c1ccc(CF)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1354202346 IZIXOTRQLYBGFE-UHFFFAOYSA-N 430.526 4.516 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc(OC)c1OC 1358049186 KKECJJKBPFJSMH-UHFFFAOYSA-N 439.943 4.818 30 10 IJEE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1358185553 HBIJSRJTGBVXEV-LJQANCHMSA-N 447.560 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCN1CCCC 1358879264 NUYLIGQKUDGHQU-HKUYNNGSSA-N 431.987 4.850 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1cccs1 1358921545 AJZYQYQOWAPPCF-MRXNPFEDSA-N 430.375 4.852 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1359020375 AMMVXJPNSLDRIK-FUHWJXTLSA-N 440.897 4.978 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)[C@@H](C)C1CCC1 1359120899 JYZHSGNIUPZNFQ-SFHVURJKSA-N 434.588 4.656 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)c1nccs1 1359130767 VQFATPBXIGKMGX-MRXNPFEDSA-N 431.993 4.888 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359147183 XCLYPUHNVXMXOR-SFHVURJKSA-N 448.995 4.889 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C)cc2OCCOCC)CC1 1359172868 KZROMZZOCNTVEA-UHFFFAOYSA-N 426.605 4.750 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCCC[C@H]2C1 1359191877 OIDHRNLGOPKXPS-QFIPXVFZSA-N 437.632 4.751 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1359226992 QNHDWDXQDODTNC-UHFFFAOYSA-N 428.602 4.689 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1359229246 CFIVIIARKXGXCD-WOJBJXKFSA-N 428.552 4.605 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@](C)(O)C1CCCCC1 1359258738 AIEWIXDJCORUCJ-MHZLTWQESA-N 445.611 4.788 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(C)(COC)CC1 1359309910 HDNHMZMIPPJKRS-UHFFFAOYSA-N 426.605 4.733 30 10 IJEE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H](C)C#N 1359337544 VDFJSTOHCFFQFQ-GOSISDBHSA-N 434.613 4.868 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1448566600 VAYLKZCNDRQCGZ-HNNXBMFYSA-N 427.353 4.879 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 1456451025 SHVIFJPLCJNGLR-XLEIFJPLSA-N 440.337 4.847 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 1459821511 IAZYAOSRXOSABK-BXUZGUMPSA-N 436.726 4.749 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 1460738026 XPCBGKCABMFVFW-GOSISDBHSA-N 426.742 4.515 30 10 IJEE O=C(Cc1nnc(O)c2ccccc12)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1461145145 CAALBPGUCSWQOG-UHFFFAOYSA-N 447.310 4.806 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 1464477223 VHLGMJFVEVVETA-JOCHJYFZSA-N 449.551 4.705 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 1464622296 JAYZGRVVFOIJJO-IEBWSBKVSA-N 427.426 4.742 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C 1465545934 YSDKLWLGYAQOQA-UHFFFAOYSA-N 444.388 4.951 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O 1468988984 ZSMIAYYJQYUWNM-FQEVSTJZSA-N 427.932 4.555 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)SCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1473012708 BROGMEGUORZKTP-OTQYULQBSA-N 437.650 4.686 30 10 IJEE C=C(C)COc1cc(CNCc2cccc(-c3nc(C(=O)OC)cs3)c2)ccc1OC 1474110452 DCORLIYUYCITNC-UHFFFAOYSA-N 438.549 4.850 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 1474570925 CEPKHHBJLXXQKO-UHFFFAOYSA-N 432.992 4.965 30 10 IJEE N#Cc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1Cl 1478520593 FYEBDGLYBAJUDQ-MRXNPFEDSA-N 437.758 4.987 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)CCC1 1504764878 AVSPIAFPHNXAMJ-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCN(C(C)C)C1 1507521708 BFSHSONKYFSUSR-UXHICEINSA-N 439.673 4.854 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1507681907 GCOHSAPRVRBBRE-IFMALSPDSA-N 435.959 4.621 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](NC(=O)CCC)C1 1507827076 RLPPWLYGLFWMRO-IBGZPJMESA-N 441.645 4.737 30 10 IJEE C=C(Cn1c(N2CC[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1507850609 PHTDTINEACRRGT-UIFIKXQLSA-N 437.588 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@@H](C)C#N 1507911451 LXGGIBDHDOKCMJ-HNNXBMFYSA-N 446.393 4.914 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1507956006 YJVRRTQPIAPBAS-UHFFFAOYSA-N 449.643 4.695 30 10 IJEE Cc1noc(C)c1CCn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1511925379 HNAAGODEGPTNTO-UHFFFAOYSA-N 430.556 4.589 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1513458953 DTTLFIKRMAVACM-FQEVSTJZSA-N 448.546 4.775 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1)c1ccccc1 1519372423 ANWUNAUULIBKJR-QFIPXVFZSA-N 425.488 4.529 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)c1ccc(Br)cc1 1525053609 DHWUXZNXXYSNCR-SFHVURJKSA-N 428.717 4.701 30 10 IJEE N#CCCn1ncc(C(=O)Nc2ccc(Br)c(C3CC3)n2)c1-c1ccccc1 1527121733 FYZRCEGWJXYMHL-UHFFFAOYSA-N 436.313 4.751 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1529918791 OZVRUSDFVDJPQC-HXUWFJFHSA-N 430.454 4.532 30 10 IJEE C=CCOc1ccc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1532129523 CZSKVUXPWDRVAW-UHFFFAOYSA-N 433.348 4.984 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1532784527 WALSHHRUDYXWPT-RTWAWAEBSA-N 439.353 4.990 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC(F)(F)CC2)nnc1-c1ccc(Cl)cc1 1532797382 QUPNYNOVWSKTGX-UHFFFAOYSA-N 426.920 4.524 30 10 IJEE CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1533602815 BZMFPVZELFHVRH-GOSISDBHSA-N 437.341 4.566 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(Br)c(F)cc2OC)cc1OC 1536640458 HFGYFCKBUNKFNZ-VURMDHGXSA-N 436.277 4.822 30 10 IJEE N#Cc1c(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)ncc2c1COCC2 1536735458 DQBNNONPVKVMJU-UHFFFAOYSA-N 440.322 4.769 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ncc(C(=O)OC)c2ccccc12 1538699267 OLWFACJATAWNCE-UHFFFAOYSA-N 430.382 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCc1ccccc1 1538985140 WUXZWXCMKFTIHT-IBGZPJMESA-N 434.609 4.950 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1539055923 LXRVPKFHHSJWGR-QFIPXVFZSA-N 440.389 4.950 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1539077645 GQXIUSZKOMJNBW-UHFFFAOYSA-N 433.625 4.971 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCO[C@@H](C)C1 1539094145 LWSQGEIAVAENBX-OALUTQOASA-N 430.980 4.717 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1 1539196903 BVJFMFQCUCLLGT-UHFFFAOYSA-N 433.483 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1C[C@@H](C)O[C@H](C)C1 1539350780 YOQJINCSUJIASI-RCCFBDPRSA-N 426.630 4.795 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN(C)CC(F)(F)F 1539350920 DZEAKJXSJUQUFZ-UHFFFAOYSA-N 435.538 4.586 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1539377618 SVTVDPVDESQJFA-UHFFFAOYSA-N 441.501 4.569 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1539382808 SLTCOVDSZNUPRQ-URXFXBBRSA-N 438.616 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1539929371 UQMYMXJNJDZAKW-QZTJIDSGSA-N 430.618 4.798 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1539966935 BIWACMSYFDCBSO-UHFFFAOYSA-N 446.542 4.625 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 1544924098 XTIUPELEWHVZBO-LJQANCHMSA-N 449.979 4.533 30 10 IJEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)Nc1ccc(C)c(C)c1 1548414242 GVEKAPZRNDJEJD-XLIONFOSSA-N 431.458 4.531 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 1556907580 VBWGFVMOXYDQHD-PKTZIBPZSA-N 443.632 4.655 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C1CCOCC1 1562351255 QIOWVUUXFAAFKD-FQEVSTJZSA-N 445.441 4.508 30 10 IJEE Cc1cccc(C2(CNC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CCCCC2)c1 1563549823 HYWRCHZPNZNOIR-UHFFFAOYSA-N 434.559 4.740 30 10 IJEE 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C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(OC(F)F)c1 1722667122 ZVPOSWSCGSLKGF-UHFFFAOYSA-N 431.874 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1noc(CC)n1 1722667321 DIJRNHFJTVXPHG-UHFFFAOYSA-N 433.343 4.618 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Cc2ccc(OC)cc2)C1 1722719109 QPJYQEVQUWDZCN-KNQAVFIVSA-N 426.605 4.535 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS[C@@H](C)C1 1722735553 RBHGZZCPUGCCMI-CVEARBPZSA-N 434.700 4.992 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2C)C1 1731087065 IANFGQYETMDMET-SYYKKAFVSA-N 439.629 4.887 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCCN1CCC(C)CC1 1740599799 FYBPSPOFDHKLTC-HSZRJFAPSA-N 437.632 4.616 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@@H](F)C1 1740658208 FPOTUQXDKJMESG-FUHWJXTLSA-N 449.357 4.765 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740733603 NVJRGHZNIDYADN-QPVYNBJUSA-N 447.671 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)CCC 1740762438 TZOCBPNDWVVNPF-CSGUBPAMSA-N 440.588 4.644 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H](C)C1CCC1 1740764122 UQDJPYXQKKNDRR-WPWBMXPQSA-N 449.599 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCOCC1 1740768673 ATHBNMTXMSTNDR-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1cccnc1OCC 1740771106 RZDVOUYWMQAYBW-UHFFFAOYSA-N 428.540 4.738 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1C 1740771777 DDSWKWWFLCYNCQ-OALUTQOASA-N 434.588 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)c1ccsc1 1740777070 LLXDFHKIOVJUDR-PWHSHALESA-N 432.634 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1740819950 KSGUUNPUMVHFEC-AZUAARDMSA-N 445.405 4.988 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 1740833444 QBUSJSIXIXBRFQ-XJABCFGWSA-N 428.552 4.662 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1 1740857526 PMIKWBPZPSITNE-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1740915722 QAJJLDSWEDPZTA-SFTDATJTSA-N 439.648 4.897 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740999865 PZGAUDNTARWIDV-QGZVFWFLSA-N 443.020 4.635 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1Nc1ccn(C)n1 1741004693 JQLPFLUWJVZUFR-UHFFFAOYSA-N 439.372 4.560 30 10 IJEE Cc1csc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)n1 1742535465 ICADWNQKLAENNI-UHFFFAOYSA-N 433.368 4.805 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CCOCC2)C1 1748759759 OKWLUGLKUINMRG-UHFFFAOYSA-N 436.600 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1nc(C)cs1 1748859000 OTOBPNZLHFBVME-SFHVURJKSA-N 435.622 4.520 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCc1csc(C(C)C)n1 1748918448 FXTWYKYUUICREL-UHFFFAOYSA-N 430.581 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1cc2ccccc2o1 1749165739 MCANMYBIBBXRBU-UHFFFAOYSA-N 449.580 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1749356026 WCCQDQUCBKZILG-NRFANRHFSA-N 439.560 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)C1 1749366245 AMHSORRVSIYRBM-SFHVURJKSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)nnc1C(C)(C)C 1749377159 MXPDWAMHNMPMQG-KRWDZBQOSA-N 429.575 4.888 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1749392949 FVZVPDDGECFBNE-LEWJYISDSA-N 426.561 4.670 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1749473269 CWRRUCMGMMAQEB-SFHVURJKSA-N 446.437 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCSC1 1749550927 LVYPJSJFDWHTIV-NRFANRHFSA-N 447.029 4.721 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCc1c(F)cccc1F 1749591030 LWKFPIPMVYBLOI-JOCHJYFZSA-N 442.510 4.869 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(O)CCCCCC2)C1 1749699079 ZENCPGWBOYRBDE-DHIUTWEWSA-N 438.616 4.687 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C)CCCC2)C1 1749719027 MEKPKFCFYVYAIC-FQEVSTJZSA-N 430.980 4.872 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccon1 1749745658 CSUHWPRQTYQELH-OAHLLOKOSA-N 429.615 4.675 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)CC1 1750673293 GRMHEGSUGKULAT-QFIPXVFZSA-N 439.629 4.887 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)N(C)C 1751352569 CMGMQGDCYXSFFJ-JOCHJYFZSA-N 446.580 4.719 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)c1ccccc1 1760104342 XACIYCADBONBJO-ZBFHGGJFSA-N 445.386 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[C@@H](OCC)C1CCCC1 1760115265 CBUUEDNHPQIARX-HTAPYJJXSA-N 430.543 4.590 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760133475 FREKHVMFCMZKTH-PKTZIBPZSA-N 449.643 4.848 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](COCC)C1 1760145657 SKWPXHUZMPIIBQ-WOJBJXKFSA-N 445.007 4.965 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C1CCN(CCC)CC1 1760147461 SHXDMPFHQBCJGD-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCc1ccc(Cl)s1 1760214116 CFRIZLUZCMEFLL-UHFFFAOYSA-N 445.979 4.914 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1(CCOC)CCC1 1760298901 ZOEFPLMZHDSGBN-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCCCC1 1760332001 RMSCRUUYRQIWTC-UHFFFAOYSA-N 439.423 4.867 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1760352892 ABZYOKZKQLAODQ-FQEVSTJZSA-N 437.613 4.941 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nccn2C(F)F)CC1 1760397347 QZBMMAMELIQPME-OAHLLOKOSA-N 446.477 4.600 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1760415882 NFUGIAJMDSDPIH-INIZCTEOSA-N 449.020 4.825 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760422318 FMSSFESQKLNWPH-LJQANCHMSA-N 438.494 4.858 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1760424202 ZUDOCYNRCKNGGL-QHCPKHFHSA-N 430.980 4.970 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCc1scnc1C 1760487560 XRTHBKSLPPBRRP-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCC[C@@H]1C 1760491874 XNMDTSLFJAQHNI-BTYIYWSLSA-N 449.368 4.576 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCc2cccnc21 1760492282 NJVKTNDLOJVWAU-FQEVSTJZSA-N 445.567 4.656 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760501774 BOODUSPMFOESDP-YADARESESA-N 446.039 4.748 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC2(CCC2)C[C@@H]1CC 1760510852 RDABBSRPFHIFFF-IBGZPJMESA-N 429.609 4.738 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC#N)CC1)OC 1764022895 GGPFLCQETHWRFV-UHFFFAOYSA-N 445.995 4.942 30 10 IJEE N#Cc1c(-c2ccccc2)ccnc1N1CCN(c2nnc(C3CCCCC3)s2)CC1 1859825267 ZWSJCJBNANYPKW-UHFFFAOYSA-N 430.581 4.846 30 10 IJEE N#Cc1c(O)nc(SCC(=O)Nc2ccccc2Cl)nc1-c1cccc(Cl)c1 1860463533 FMIQPPOWKUCNBU-UHFFFAOYSA-N 431.304 4.758 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(C)c1 1862412862 OYWPFJOEYASISP-JOCHJYFZSA-N 442.506 4.583 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862479777 PTWVKMSLIKHIGF-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccnc2)c1 1862493603 UILKVRRKCABCIR-XMMPIXPASA-N 442.515 4.876 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)c(O)c1 1862503434 XOFBCUQUSAJLPX-NRFANRHFSA-N 427.472 4.704 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)c(O)c1 1862503435 XOFBCUQUSAJLPX-OAQYLSRUSA-N 427.472 4.704 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 1862505840 TVDAZVUOECFYKT-OAQYLSRUSA-N 427.472 4.617 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(C)c1 1862507269 HWHSUQHGRWNPJQ-QHCPKHFHSA-N 438.543 4.753 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1F)c1cccc(O)c1 1862590387 HUQSZLSKHXVHLG-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCc2cccs2)c1 1862626118 VIZZDFSXDBTDSZ-JOCHJYFZSA-N 447.512 4.606 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(F)cc2)c1 1862702810 MWQABTBMASKNGT-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)c1C 1862946295 HABAWGXNBYAPMV-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(C)ccc3C)C2=O)cc1 1863022557 UMDWDWALFVQCAY-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C)c(Cl)c2)C(=O)N(c2cccc(C#N)c2)C1=O 1863059736 CQVMAKPSFANZFK-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CC(C)(NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866763298 LGZPDHIDSIQAID-HSZRJFAPSA-N 447.485 4.892 30 10 IJEE CC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866972381 ACYPXJQGMCRZDT-AZUAARDMSA-N 442.357 4.594 30 10 IJEE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1cccc(C#N)c1 1867179407 PFIVMWOETSQIAQ-JOCHJYFZSA-N 444.535 4.550 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1cc(Cl)cc(Cl)c1 1870146194 IFMIMTBJGBFFBA-JTQLQIEISA-N 436.686 4.505 30 10 IJEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CSc1ccc(C)cc1 1870167998 CHRDEOXYDKGBMM-UHFFFAOYSA-N 435.545 4.757 30 10 IJEE CCCCCCCOc1cn(CCCCN(CC)CC)c(CSCCO)cc1=O 1870251641 OKUCIUNNOMXNOC-UHFFFAOYSA-N 426.667 4.545 30 10 IJEE CCCCCCCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCN(C)CC1 1870482632 BHLVGOCQISRZQM-UHFFFAOYSA-N 431.665 4.915 30 10 IJEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870812978 QROPNNXBIQKGNX-UHFFFAOYSA-N 448.007 4.809 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)C(Cl)(Cl)Cl)ccc2C1=O 1871363148 IZVRTFKBMJCPSG-SXGWCWSVSA-N 427.667 4.977 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3C2=O)o1 1871372636 CBWYMUXIJLHKPC-GRSHGNNSSA-N 425.780 4.985 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871425188 BTCCCJRPFXKKFY-GHRPQRKGSA-N 427.456 4.911 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871719557 FRIVJCPKVIELHQ-KDURUIRLSA-N 426.609 4.997 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872268555 VTBXJTPTVPMOKU-REWPJTCUSA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)C1CC1 1872279431 DRVHIJZWOSCHLT-XMMPIXPASA-N 440.609 4.611 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)c(C)c1C 1872778040 CAZIADORYRMZSJ-HXUWFJFHSA-N 433.533 4.813 30 10 IJEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872782263 IBVKHJBKRKHYSO-OAHLLOKOSA-N 428.897 4.979 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)cc1Cl 1872785985 YGRZRWUACWPORV-QGZVFWFLSA-N 439.924 4.849 30 10 IJEE COc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(Cl)ccc2OC)cs1 1872788999 WGDWOYVBDJRZAU-OAHLLOKOSA-N 428.897 4.736 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OC)c(Cl)c1)n2Cc1ccccc1 1873612661 HGZJGWJXLUJDMH-UHFFFAOYSA-N 447.926 4.992 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)Cc1cccc2ccccc12 1873710415 DAKGUMLTHGNBOE-UHFFFAOYSA-N 441.556 4.772 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)c(O)c1 1874217529 DGKREJJENHCCJD-FOKLQQMPSA-N 444.944 4.699 30 10 IJEE CCOc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCO)cc1 1874234531 MPBPTUMJPNGTSQ-NLRVBDNBSA-N 446.576 4.582 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874283228 WLNBBDYYJBUUOA-ZMOGYAJESA-N 440.956 4.965 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccncc2)c1 1874308142 INRBLZNAIJGONY-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(N(CC)CC)cc1 1874309241 LZWLKAPIRMPHHG-XIEYBQDHSA-N 437.613 4.912 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nncn2/N=C/c2c(Cl)cccc2Cl)c1 1874534654 UESBJGJGWLRHED-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2Cc2ccccc2)ccc1OCc1ccccc1 1874559003 OAUZTDIJJQFRLQ-PCLIKHOPSA-N 430.533 4.627 30 10 IJEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874597619 WFICAVJWTPPQGV-ZRDIBKRKSA-N 429.472 4.891 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)Cc1cccs1 1874706617 QQESZEIIQCQITG-QPJJXVBHSA-N 436.485 4.572 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3cccs3)c(OC)c2)cc1 1875113153 YHZVRTAWSNYCGO-IZZDOVSWSA-N 438.501 4.818 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)COc2ccccc2)c([N+](=O)[O-])c1 1875143194 NRHXKUMGDMLVIE-PKNBQFBNSA-N 447.443 4.792 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccccc2C(F)(F)F)[C@H]1c1ccc(C#N)cc1 1889842782 COTGZSXJLQGBRA-WOJBJXKFSA-N 447.482 4.609 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(C#N)cc1 1890874921 JZMJXUXVJRQIBI-UXHICEINSA-N 447.482 4.609 30 10 IJEE CN1CCN(C(=O)c2cccc(C(F)(F)F)c2C(F)(F)F)[C@@H](c2cccc(F)c2)C1 1891115663 LHMSSTQLTRSSSP-MRXNPFEDSA-N 434.355 4.992 30 10 IJEE CC(C)N(CC#CCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nn1C)C(C)C 1891404344 XTVQITSGWULDAP-UHFFFAOYSA-N 428.580 4.606 30 10 IJEE Cc1ccc(CN2C[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1921510331 YWDXKQXQWXYFOD-JTHBVZDNSA-N 448.460 4.637 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 1922106487 DEYQWHCWMLGSBG-RDGATRHJSA-N 432.605 4.544 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)[C@@H](CN)CCC12CCC2 1924928832 ZBDYZUZKHYVGMS-QVKFZJNVSA-N 434.378 4.992 30 10 IJEE N#Cc1ccc([C@@H]2C[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)o1 1952601671 PIOICGCKIVSOBE-HJPURHCSSA-N 442.471 4.938 30 10 IJEE CC[C@@H]1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1975987053 YKCWIKXGVBXOCX-KUHUBIRLSA-N 435.487 4.858 30 10 IJEE C#CCN(C[C@@H](NCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2037660592 XLGSSCJURNRXDW-CQSZACIVSA-N 433.749 4.763 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)C=Cc3ccc(OC(F)F)cc3)s2)cc1 2042443750 QHRVQZVMFKZZAY-UHFFFAOYSA-N 444.488 4.955 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 2059511292 XCMGHDZMPREJPM-UHFFFAOYSA-N 432.564 4.617 30 10 IJEE CC(C)[C@H]1[C@@H](Nc2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2126372275 QSKLFBMCKBMEBX-RDJZCZTQSA-N 426.330 4.906 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCCC 2145541785 PZYSQPQPSKUGMR-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2C#N)C2(CCC2)C1 2174625288 AKHDWUKZKUTQAK-GOSISDBHSA-N 434.378 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)c(C#N)cc2F)C2(CCC2)C1 2174818608 BRHXNYNZGSMCJP-AWEZNQCLSA-N 438.341 4.876 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1C[C@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2180989846 SVAWGXWGMAEQRT-SJORKVTESA-N 443.426 4.829 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)C=Cc2ccc(Br)s2)C3)OC1(C)C 2194119868 CJTLIWUBEXBLFA-YJYMSZOUSA-N 438.196 4.609 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(Br)cnc3C#N)CCCC[C@H]2C1 2198830736 XRXWDLOADQUTQG-VBKZILBWSA-N 436.350 4.664 30 10 IJEE NN[C@@H](CC#CC1CCCCC1)c1ccc(Br)cc1I 2207262064 PBYUMBRWRIEUDY-INIZCTEOSA-N 447.158 4.532 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2235721902 JLCJBSAIHLSXCO-MSOLQXFVSA-N 435.406 4.814 30 10 IJEE CCCC1([C@H](O)C#Cc2ccccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2235730755 KSAPXQXLFWCYRS-LJQANCHMSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@@H](O)C#Cc3ccccc3Br)(CC1)CC2 2235739774 KBJOHNOESQCQBT-XTWGIRIWSA-N 434.374 4.779 30 10 IJEE C=CCC1([C@H](NC)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2263738171 AISITJGMSNBVFG-CQSZACIVSA-N 431.396 4.593 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)C(=O)C#Cc1ccc(Br)cc1 2278804555 YLZHHDFJIAQGNL-MRXNPFEDSA-N 440.403 4.795 30 10 IJEE CN[C@@H](C#Cc1ccccc1F)c1ccc(I)c(Br)c1 2281370012 DTPCVQAPRICWNM-INIZCTEOSA-N 444.085 4.505 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296268169 AXLXPQCTOCJVDW-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296276699 KVEVDEOCLGEQLJ-AABGKKOBSA-N 436.390 4.691 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(C2(NC(=O)OC(C)(C)C)CC2)CC1 2296289013 NGAZGWBPINXWEY-SFHVURJKSA-N 433.390 4.616 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296303479 WTMFWVYESOVAJK-HZPDHXFCSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1cccc(NC(=O)OC(C)(C)C)n1 2296311473 XIZQPQTUPNGDSR-QGZVFWFLSA-N 430.346 4.893 30 10 IJEE Cc1ccc(C(=O)N2CCN(c3oc(C=Cc4ccc(Cl)cc4)nc3C#N)CC2)cc1 2296746705 OHUADVKJYGBXON-UHFFFAOYSA-N 432.911 4.641 30 10 IJEE C=C(C)COc1ccccc1C=C1N=C(c2cccc(I)c2)OC1=O 2297453178 UXAKUPODNPKHEI-UHFFFAOYSA-N 445.256 4.591 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1Cl 2297734878 GOGMZHBCKSYJFV-HSZRJFAPSA-N 438.955 4.660 30 10 IJEE CCCCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCOC)c1 2314478592 VAJWKHQYXHQOLF-RUZDIDTESA-N 449.547 4.880 30 10 IJEE CC(C)[C@@H]1C[C@](O)(C#Cc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321508895 SWJDUUXQBGSNAM-JTHBVZDNSA-N 442.353 4.599 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cccc(OC)c2)cc1Br 2323486561 LYHRUTBQASNSJJ-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1ccccc1F 2323561053 QNMCHTDDRPTIIN-UHFFFAOYSA-N 440.422 4.585 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)c1 2323890330 OUOBJGFGKTWEQB-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE CCCNC(=O)COc1c(Br)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2323915046 CNSHEPUMQGVHDA-UHFFFAOYSA-N 446.341 4.567 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 2323972761 VVDLLNVTFYOUOB-UHFFFAOYSA-N 442.487 4.966 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1 2324010320 DZQZTFGYRJYKOY-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCCO)c(Br)c2)c2ccccc12 2324682870 ULFXEFNQPLXMCZ-UHFFFAOYSA-N 427.294 4.878 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324983447 AJKKCCIJHMAETB-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2325265413 YZKBFNHUWFFACY-UHFFFAOYSA-N 441.483 4.563 30 10 IJEE Cc1ccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2F)cc1Br 2325702744 KFFYVMAEPIJWLZ-UHFFFAOYSA-N 441.094 4.880 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1O 2326017668 LEJSUQVTVKNOMH-UHFFFAOYSA-N 428.945 4.809 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(C(=O)OC)c2)cc1 2326752545 YITKXPYSOYMQIV-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@@H]2CNCC[C@@H]2NC(=O)c2c(F)cccc2Cl)cc1 2328106508 JJKXVBHCRFROAZ-NQIIRXRSSA-N 428.935 4.593 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(C)c1 2329516658 URDLIJVCCGXWSS-UHFFFAOYSA-N 436.581 4.608 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1N=Cc1c[nH]c2ccccc12 2330602079 KQBWDHKXKTVMQA-UHFFFAOYSA-N 439.566 4.661 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1F)c1ccccc1 2331413767 NPSJKBGTGAZPNN-INIZCTEOSA-N 439.560 4.566 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccccc1F 2331449011 BFWQYPVHTBEPPJ-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)cc1 2331689870 OKSPLBWENBPVBT-UHFFFAOYSA-N 425.514 4.883 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CC2)cc1 2331724110 XMQDKGIKHYHRQL-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCN[C@H](C#CC(C)(C)OC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2338223396 GHGDSJPNMMFMDR-MRXNPFEDSA-N 425.367 4.875 30 10 IJEE CC[C@H](NCC[C@@H](C)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514332 VFEWKXKZMRYXFQ-BWKNWUBXSA-N 436.449 4.937 30 10 IJEE CC[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338520170 WVCWWNPVJBCNLX-JWQCQUIFSA-N 434.433 4.691 30 10 IJEE C[C@@H]1[C@@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339595956 FUSXTVQVVBRAAE-IEBWSBKVSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@](C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339598360 BOLCNJPJFJYTDM-XUOKFMKOSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](Nc1cc(Br)cc(F)c1C#N)[C@H]2F 2358233683 LTMBOEWYBBYDKX-PWBULWKKSA-N 442.304 4.750 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CC(C)(C)CN(Cc3ccccc3)[C@@H]2C)n1 2362169458 UPOQJXDOMHANOE-NFBKMPQASA-N 449.448 4.790 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362703624 BHAGPGMDVQCAEX-VQTJNVASSA-N 435.406 4.667 30 10 IJEE Cc1c(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)ccc(Br)c1F 2364875487 BTBPOGUIHZQGAB-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)/C=C/c4ccc(F)cc4)n3)cc21 11971207 YZOWSDHDLJPYIP-BJMVGYQFSA-N 435.480 4.513 30 10 IJEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N\c1ccc(C(=O)O)cc1 16929188 RMVLEPXLOLBTOT-RDTAYAABSA-N 443.322 4.937 30 10 IJEE Cc1cccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2cccc(O)c2)c1 22728996 INSMIKKWDLXQRG-UHFFFAOYSA-O 442.358 4.802 30 10 IJEE COc1ccc(/C=C2/Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)cc1OC 33490156 JYJDCMXYOCDRDI-ZVHZXABRSA-N 431.488 4.658 30 10 IJEE Cc1c(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N 38620146 WQEJJGFVTCGJAC-IBGZPJMESA-N 444.531 4.750 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)c1OC 41660135 WXKQLRKBYVVBEK-QRVIBDJDSA-N 429.472 4.672 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1)c1ccccc1 59020406 VFYVGLAVRAVLSB-JWGURIENSA-N 444.358 4.768 30 10 IJEE CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3c(Cl)cccc3Cl)cc2)s1 59460939 MZQDWILQIXAHFN-KEBDBYFISA-N 441.365 4.959 30 10 IJEE C=C(C)COc1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 66062905 YBPGKYJNXDCVFO-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE CCCCCCCCCC(=O)N1CCC(N2CCC(C(=O)N3CCCCC3)CC2)CC1 102997861 GLRUAWCPNPMDJH-UHFFFAOYSA-N 433.681 4.843 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N/N=C/c1cc(Cl)c(OCC(C)C)c(Cl)c1 169907093 LXJZPZQYXPDPFF-LSHDLFTRSA-N 445.368 4.658 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(OC)cc2)cc1 169923717 OKUIKQXQCQNSGK-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1ccc2c(c1)OCO2 169987927 REYLOSYEVFZJFU-LJQANCHMSA-N 441.411 4.538 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 170002024 YTWZFEIGKUTQSL-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C)o2)cc1 170102114 VCDHRXXDAUMIOF-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccc(C)c1 170145914 UPAKVMFSBQKEPG-HXUWFJFHSA-N 443.927 4.580 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccccn1 170181067 ZDVXNSJRLQCZCQ-JOCHJYFZSA-N 438.524 4.648 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC)cc1 170213059 MRJKWPJIMONJNT-XMMPIXPASA-N 449.547 4.579 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(OCC(C)C)c1 170219018 JICZMTGSZYQLQQ-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)cc1 170224651 YSYYDZNORVKFQJ-QHCPKHFHSA-N 429.472 4.962 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)c1 170241173 XNSOBPSPDOBFSR-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2sccc2C)cc1 170317239 HJXFURABGVMCEZ-FQEVSTJZSA-N 434.517 4.629 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC(C)=O)cc1 170320231 SSPVCZWILNRGSW-FQEVSTJZSA-N 427.884 4.644 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(C)c2)cc1 170343738 SOLFHGTXJHDPRI-QHCPKHFHSA-N 441.483 4.955 30 10 IJEE Cc1nc(COc2cccc(/C=C\C(=O)Nc3ncccc3OCCCC#N)c2)cs1 209646153 FMTNQLJPUUZGHU-KTKRTIGZSA-N 434.521 4.760 30 10 IJEE C=CCn1nc(C)c(CCC(=O)N2CCC[C@@H](c3nc4ccccc4n3CCC)C2)c1C 222410484 AFDVFPJOVDTQKR-OAQYLSRUSA-N 433.600 4.784 30 10 IJEE CCCNC(=O)c1c(N=Cc2ccc(COc3cc(C)c(Cl)c(C)c3)o2)cnn1C 254823641 IPDNYOFBVOLPBR-UHFFFAOYSA-N 428.920 4.753 30 10 IJEE C=CC[C@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 427810515 ZOYCKYKPIMTTDP-VXKWHMMOSA-N 428.536 4.728 30 10 IJEE COC[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccc(F)cc1 437985669 KRLVVHUVZQMXNV-JOCHJYFZSA-N 437.446 4.925 30 10 IJEE CSc1ccc(C(=O)c2ccccc2C(=O)NCC2CCC(C#N)CC2)cc1[N+](=O)[O-] 441140210 METVLUKFNJWWQW-UHFFFAOYSA-N 437.521 4.607 30 10 IJEE CC1(C#N)CCN(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)CC1 503226891 SWNUALAVFPVSQN-UHFFFAOYSA-N 427.932 4.633 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 508907998 QIXYNAJFESQBLM-QFIPXVFZSA-N 436.581 4.651 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 511973695 ZJKRWIHGEDOAON-UHFFFAOYSA-N 441.572 4.755 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2O)cc1OC 526775078 IBARHKVSPCEWTQ-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1cc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)ccc1O 526803895 UIELODQQKZYYCC-YSMPRRRNSA-N 448.523 4.897 30 10 IJEE N#Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586178247 UOTDONOWLHVBRB-UHFFFAOYSA-N 441.896 4.511 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccc(COc3ccc(Br)cc3)o2)c(F)c1 609229275 BVEMYCMIEWQCHB-UHFFFAOYSA-N 429.245 4.562 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]1C 698488394 XYBNQWPLUYEWLJ-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE C[C@@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709340748 FJDLEMYMGPDGMU-IGMJJTELSA-N 447.498 4.856 30 10 IJEE COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728667867 DPBLAHAVYBKPBJ-MSOLQXFVSA-N 444.487 4.782 30 10 IJEE C=C(CSc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1)C(=O)OCC 733871455 JRBKVVCAZLWOGH-UHFFFAOYSA-N 429.929 4.808 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)ccc1Cl 734914062 IFQWGUZBYDCHHS-JKSUJKDBSA-N 432.854 4.520 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)ccc1Cl 743799245 TWYKUTPYXJKQQM-ROUUACIJSA-N 447.000 4.982 30 10 IJEE C#CCN(C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1)C1CCCC1 810192930 QDVOJCNNEAVRBM-UHFFFAOYSA-N 429.318 4.786 30 10 IJEE CC(=O)N(c1cccc(Cl)c1)c1nc(C=NNc2c(F)c(F)nc(F)c2F)cs1 916325524 RXAGEYFVPXTCEE-UHFFFAOYSA-N 443.813 4.879 30 10 IJEE C=CCN(C(=O)c1cc(C)c(Br)s1)[C@H](Cc1ccccc1)C(=O)OCC 1128112910 YCKFPGACTGILMV-MRXNPFEDSA-N 436.371 4.622 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F 1157507023 CGMMQYFBMBXBMT-RPWUZVMVSA-N 437.898 4.972 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1 1158173409 PNEFLPXOWJWLGU-NRFANRHFSA-N 442.581 4.629 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccncc1)Cc1cccs1 1159257617 PHDRTYGWIXRNPT-HXUWFJFHSA-N 429.586 4.922 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C(C)C)N2CCC(C)CC2)cc1OC 1177256794 MTBNIRMLTPESCO-FQEVSTJZSA-N 439.438 4.869 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCc2cc(-c3ccccc3)oc2C1 1210408936 HYIOHXVJFMXEEW-UHFFFAOYSA-N 432.423 4.584 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1215241666 GIUPVSQFQYYFQT-UHFFFAOYSA-N 446.454 4.632 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(-c3ccc(Br)cc3)c(C)c2)CC1 1216818022 TYYIKRFJYBLMGO-UHFFFAOYSA-N 426.358 4.644 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1222294579 DFUYJYOHEHTKKD-UHFFFAOYSA-N 436.515 4.551 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCSc1nccs1 1286454630 MJFKQPZWZDOEJF-UHFFFAOYSA-N 429.590 4.819 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N(CC)CC 1286519398 WUCNHSPNJYNUKG-AXHZCLLHSA-N 444.023 4.794 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286597096 AFUIDBCZRMYUSH-GOSISDBHSA-N 439.387 4.991 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1286613265 WALDCOWVQPLTFD-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1)c1ccccc1 1286614902 DPYSHFFVCAUIPC-UHFFFAOYSA-N 447.583 4.724 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(CCC)CC2)CC1 1286636762 ISYDUPZYTOIBIQ-UHFFFAOYSA-N 427.980 4.598 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1)c1ccccc1 1286680035 AIEVBEZGNPOJAM-AHRSYUTCSA-N 434.506 4.747 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC)(CC)C1 1286686833 KSJGBICKIUHBFL-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC=C)Cc1cccs1 1286700798 MWYXWERWYNSUAL-UHFFFAOYSA-N 432.553 4.814 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1286757843 XGPGQKWEDJVQRE-RPWUZVMVSA-N 435.616 4.844 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1noc2c1CCCC2 1286759649 DZRXKBUJGVKRSM-UHFFFAOYSA-N 433.556 4.567 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=C)Cl)C1 1286813484 VXDYECNHZFMHIB-HNNXBMFYSA-N 443.762 4.698 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2ccncc2)cc1 1289870905 CWFYFRBZRJDDIC-DEOSSOPVSA-N 432.597 4.647 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)OC 1291909492 FORLPVZDENSGJW-QFIPXVFZSA-N 449.555 4.501 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1299437521 AFTGHFYIVHQFCR-UYAOXDASSA-N 435.524 4.774 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCN(C)C1CCCCC1 1300319714 DQSWOGNLIKIYHK-JOCHJYFZSA-N 437.632 4.586 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1N(C)CCCC1(C)C 1300449594 UORSQHDIKFKBNU-HSZRJFAPSA-N 437.632 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCCCC1 1300563273 GSJBIUKZXUBTDZ-UHFFFAOYSA-N 431.628 4.582 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC=CCC1 1300606095 DWWJDPDUGLHEQQ-MRXNPFEDSA-N 429.362 4.532 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1300751558 LSVJJHFDCPSECD-QZTJIDSGSA-N 433.021 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)OCC 1300790443 QSYAZNOOOYSWEZ-RUZDIDTESA-N 440.588 4.548 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CSCCS1 1300919116 VQFABECKTQIWMJ-SFHVURJKSA-N 427.643 4.601 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C1CCCCC1 1301141497 OGCLWVHDPDFCNI-UHFFFAOYSA-N 434.592 4.682 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1ncc(C)s1 1301278263 JNRIRLHWJCKPTO-CYBMUJFWSA-N 432.391 4.898 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCN1CCC 1301349583 PZRCRWMEHNQODD-ZEQRLZLVSA-N 437.632 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1C(F)(F)F 1301383983 LUEOLRWRXUFYGP-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(C)(C)O 1301417742 WUWMBBMQKWFGJJ-UHFFFAOYSA-N 434.993 4.613 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1C[C@H]1CCCCS1 1301773703 HYLNDOMDIFGUMU-JOCHJYFZSA-N 439.629 4.746 30 10 IJEE C#CC1CCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 1310315610 JTLGGIXJZGXYGL-UHFFFAOYSA-N 429.442 4.513 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)C(C)C 1310921343 ROTHOHLEDRFNJQ-QUCCMNQESA-N 440.485 4.908 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1311690381 GVQRFBKVFMXCJW-RCZVLFRGSA-N 449.595 4.989 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)C1(C)C 1314248675 GUPAUXDOILBXCB-FCHUYYIVSA-N 437.588 4.559 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccccc2)C1 1321463680 UGCVCNGQTACWGY-HXUWFJFHSA-N 439.357 4.537 30 10 IJEE CC#CCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1 1350909100 ZLXRYXJGSPRFND-UHFFFAOYSA-N 446.544 4.781 30 10 IJEE C=CCN(C(=O)c1ccc(S(=O)(=O)C2CCC2)cc1)c1nc(-c2ccccc2)cs1 1351450689 JNVGWXWOBXAMJK-UHFFFAOYSA-N 438.574 4.969 30 10 IJEE N#Cc1ccc(CSCC(=O)N=c2sccn2Cc2cccc3ccccc23)cc1 1352154711 DBXUUZOWQNERBJ-UHFFFAOYSA-N 429.570 4.983 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C(C)(C)C)C1 1358923526 SBMBAENWIBGQAS-QHCPKHFHSA-N 448.567 4.782 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1(F)CCC1 1358971361 ROGBDCGXLUFFPH-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CC1CC1 1359093593 PKMWSXGJLHRLMV-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCN1CC=CCC1 1359109624 ISPUJTVMSLGSBA-UHFFFAOYSA-N 448.384 4.511 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359129578 GKBZVIAFPJPUMX-SANMLTNESA-N 449.599 4.727 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)c2c(C)noc2C)CC1 1359169488 KFGSLOCTWCZVNX-LDQXTDLNSA-N 427.593 4.762 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC(=O)NC(C)(C)C 1359183799 UMXZYVZWGSQLCD-FQEVSTJZSA-N 425.621 4.773 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](C)C1)c1ccccc1 1359193546 FYSFHDYGOTWEAE-IRLDBZIGSA-N 444.583 4.912 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC(F)(F)C1)c1ccccc1 1359195709 QKDYCETXMOQGMV-GOSISDBHSA-N 429.540 4.839 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359200440 GEZWTAFWYUBMHO-UHFFFAOYSA-N 430.478 4.845 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1C[C@@H](F)c1ccc(Br)cc1)C1CC1 1359249138 PNRAIXAHAAIGAH-GOSISDBHSA-N 444.352 4.912 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1359272982 KHCSQGCOSNPEQV-LADGPHEKSA-N 426.992 4.906 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1359337104 JTXYIRUNCIWGFW-FDDCHVKYSA-N 448.608 4.872 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CCCc2ccccc2)n1CCc1nc2c(s1)CCCC2 1360480631 DIMXAQJWEJJSSF-IBGZPJMESA-N 448.640 4.770 30 10 IJEE C#CCO[C@H](C)C(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1435164185 NHXDUOJNCHLFFQ-UZLBHIALSA-N 430.342 4.634 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc2Cl)cc1 1439975245 ZSALGJFXADKFCI-ZDUSSCGKSA-N 439.364 4.694 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1448116615 HUFBCUODHKJYJW-HSZRJFAPSA-N 425.460 4.638 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1OC 1449536716 DFBXJDHGBYDBTN-XOPAWIAISA-N 436.335 4.604 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(Br)cc1 1450274227 QIUBOSKSOGNSPV-GHTZIAJQSA-N 440.385 4.746 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(F)cc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1458503476 IWTGYIPNGZOXRO-PEBXRYMYSA-N 442.478 4.950 30 10 IJEE C=CCn1c(SCCN(C)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458738667 YAXCSXWHEARTSY-MRXNPFEDSA-N 425.623 4.997 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 1459821512 IAZYAOSRXOSABK-RISCZKNCSA-N 436.726 4.749 30 10 IJEE C#CCOCCC(=O)N(C)Cc1ccccc1Oc1ccc(Cl)cc1Br 1462527520 VFTKJVOQGCSWRZ-UHFFFAOYSA-N 436.733 4.893 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)CCCN1C(=O)OC(C)(C)C 1465802207 WSXHOVRSZGUZSR-QFQXNSOFSA-N 447.664 4.835 30 10 IJEE Cc1nc(SCC(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)c(C#N)c(C)c1C 1469496543 DRFZBITVTSICAZ-HSZRJFAPSA-N 437.609 4.771 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](OC(C)C)c1ccccc1OC 1474119776 OOBOEUZAZUDISU-QFIPXVFZSA-N 432.358 4.726 30 10 IJEE C=CCOc1c(Br)cc(CNC2(CO)CCCCCCC2)cc1OCC 1474240617 KMJVXOFOUOBQHI-UHFFFAOYSA-N 426.395 4.978 30 10 IJEE CC(C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(Cl)cc1 1475272783 GQBNSZAHKUZKDE-KRWDZBQOSA-N 430.879 4.949 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 1476224835 SLSWBZHOLWXULV-DEOSSOPVSA-N 445.535 4.625 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H](C)C2)c1 1492645681 FHVFQZCCDCYFNA-GOSISDBHSA-N 434.613 4.555 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1507677926 AOYAMNPNBLBMRA-GOTSBHOMSA-N 447.671 4.964 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([S@@](C)=O)CCC1 1507815686 SAZRVZFNAOAIFO-SSEXGKCCSA-N 428.646 4.946 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507881663 POZONCOFKKCVTO-MAUKXSAKSA-N 442.457 4.681 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1507949780 LECPZAASUHFFAK-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H]1C 1507959497 QACBXGURNWGFIV-KGLIPLIRSA-N 425.396 4.597 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1CSCCS1 1508005777 VYTDZVSPSKDDHD-SFHVURJKSA-N 441.601 4.520 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1-c1cnn(C)c1 1508011485 FWGBGAIMANTVBZ-UHFFFAOYSA-N 445.958 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCN1CC 1508015015 IBLUGHRZFVFCEF-NRFANRHFSA-N 430.600 4.855 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1CCc1ccc(Br)s1 1508021603 YBFHKHYTSACAON-UHFFFAOYSA-N 444.402 4.509 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](C)C1 1508024780 LKWXVNYCEHRWIR-GBXCKJPGSA-N 432.616 4.811 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1508153599 NRARUEMFKZWFPZ-PGRDOPGGSA-N 435.597 4.855 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)c1nccs1 1514717824 DDDHJPCKXJLBAY-UHFFFAOYSA-N 429.501 4.656 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cc(C)oc1C 1515660875 HSYVQEVLMLNHPW-VWLOTQADSA-N 433.556 4.561 30 10 IJEE C=CC[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)c1ccc(Cl)c(Cl)c1 1519080957 HIPFWYIFXVQGPD-OAHLLOKOSA-N 432.325 4.619 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)c1 1520384728 FZPHYBKRXDKRQX-OAQYLSRUSA-N 440.952 4.964 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 1530948017 CKIJLFYDDYKTKA-UHFFFAOYSA-N 439.140 4.590 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)nnc1-c1ccc(Cl)cc1 1531574142 YCBRVUKIJNSUKX-OALUTQOASA-N 443.375 4.698 30 10 IJEE C=C[C@H](CC(=O)Nc1nn(-c2ncccc2Cl)cc1Br)c1ccccc1 1534643579 DPTCPFXBSUWDIW-CYBMUJFWSA-N 431.721 4.982 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)CC2)nc1 1535941078 CKOIQVBARIDZLC-UHFFFAOYSA-N 448.910 4.914 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@H](C)C1 1539319928 LMSSQEOCGCXRNS-ROUUACIJSA-N 425.374 4.607 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1OC 1539929886 RLPJHVDVGXPNAN-XYOKQWHBSA-N 440.971 4.661 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 1540116537 VSXBCDDUWJQEAD-QFBILLFUSA-N 433.021 4.930 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2ccc(Cl)cc2C1)C(C)C 1540151766 LXLFVMYNQNAHLH-QFIPXVFZSA-N 428.024 4.755 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CC)CCOCC2)C1 1540888273 MXTFKGQXPHHQBF-SFHVURJKSA-N 430.980 4.587 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F 1546100964 OVEDHQLYEIUGIJ-DLBZAZTESA-N 430.467 4.664 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1552547997 CVGUZOXMHVMGPW-QFIPXVFZSA-N 439.629 4.745 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)C1 1552561152 BYBGJCUWKLVXAO-NRFANRHFSA-N 427.618 4.887 30 10 IJEE C=CCN(C(=O)c1ccc(SC(F)(F)F)o1)[C@@H](Cc1ccccc1)C(=O)OCC 1567605790 JKCWDZZNXLLWPT-HNNXBMFYSA-N 427.444 4.694 30 10 IJEE C#C[C@H]1CCCN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1570817022 NXMZFCMZKWQVRQ-FQEVSTJZSA-N 444.575 4.956 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)Cc2cccc(OCC(F)(F)F)c2)nc1 1584151107 CPUFTRIYXZRVJQ-UHFFFAOYSA-N 425.410 4.670 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1587831292 LAPPSGPFYGWVBP-OAQYLSRUSA-N 434.540 4.873 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2c(F)cc(F)cc2C1 1589547538 URDIBFMUVNWZFS-KSFYIVLOSA-N 430.543 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1589559479 RTQOGGKAGNGSOQ-GGAORHGYSA-N 438.620 4.542 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](OCC2CC2)C1 1593817449 CDFGBHSBKPREBP-WMZOPIPTSA-N 434.943 4.705 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1594536400 YAQNPLRZBMJHLY-FYYLOGMGSA-N 437.632 4.846 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1594783604 FYBZGLBHMVGDPW-GLDPYIMESA-N 428.552 4.919 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cc(C)oc1C 1595108704 IHJSNDASJPYUAB-VWLOTQADSA-N 431.540 4.583 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCSC2)C1 1595844379 ALMJQXPHANUVOX-JTSKRJEESA-N 448.633 4.810 30 10 IJEE C=CCn1c(SCc2ccc(OCC)cn2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1613104414 FYZWPDDIAAPCIU-AWEZNQCLSA-N 427.595 4.855 30 10 IJEE COc1ccc(C)c2c1N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)CCC2 1616120596 FAPWKMGVMKMGDV-UHFFFAOYSA-N 446.526 4.813 30 10 IJEE N#Cc1ccc(CSCC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1 1618572677 FYZZQCOAVIXQMX-IBGZPJMESA-N 447.423 4.947 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ncc(Br)s2)cc1C 1625306671 GCVZFPOPUNPKJS-UHFFFAOYSA-N 430.331 4.552 30 10 IJEE C#C[C@@H](C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1625828472 LODFDVJYDKMMAO-NIYFSFCBSA-N 438.527 4.713 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)CCC(=O)c3ccc4ccccc4c3)CC2)c(Cl)c1 1626374280 HHUTZFRQOHIDBO-UHFFFAOYSA-N 431.923 4.677 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(I)ccc1N1CCCCC1 1627340849 DJUUYZSUCSOALQ-UHFFFAOYSA-N 426.342 4.710 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1OC 1628865987 FVQCUVPCCPFFBF-UKTHLTGXSA-N 434.580 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 1634215957 ONCZQKURKGBFDC-UWJYYQICSA-N 429.904 4.571 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)n[nH]2)c1C 1636229753 KZVSWFQGRZORMD-UHFFFAOYSA-N 439.825 4.880 30 10 IJEE C=C[C@@H](C)ONC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1636606954 NPBHTXOODDUZHK-ACJLOTCBSA-N 440.396 4.960 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 1636892810 VONOFKPSNSGNHR-YFVAEKQCSA-N 434.422 4.972 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640555931 DIAYSCWPVPJUJH-CABCVRRESA-N 439.606 4.888 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccoc1C 1640706502 SAPKZIHZNQZIBW-QGZVFWFLSA-N 432.908 4.723 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCC(=O)C1(c2ccccc2)CC1 1644269622 CCTSHCBIFGDACN-UHFFFAOYSA-N 435.115 4.763 30 10 IJEE C=C(C)Cn1c(S[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccncc1 1652707474 VBXVMYBRWXCEMQ-GOSISDBHSA-N 443.935 4.606 30 10 IJEE C=CCOc1ccc(CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1Cl 1657962660 FRJWQEAYCPTSHX-QGZVFWFLSA-N 434.989 4.938 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 1667721089 KWMFFGMZAZWHII-XMMPIXPASA-N 437.547 4.921 30 10 IJEE Cc1cc(F)c(Br)cc1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1669515712 FSZVBJZHBOUTIQ-UHFFFAOYSA-N 445.336 4.554 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 1671427957 SZGWQXGZOHPBNP-UHFFFAOYSA-N 434.323 4.864 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(F)c(Br)c1F)c1ccc(Br)cc1 1673731668 RDVACSFQHOQARG-LBPRGKRZSA-N 444.073 4.986 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 1675079882 IAZIZHPRYAFNSE-FQEVSTJZSA-N 426.561 4.756 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](O)COc1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1680628907 GLRXXLJQZJBZGK-PZJWPPBQSA-N 436.474 4.760 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)cc1 1681062137 DBJFFZNYUUSCLD-UHFFFAOYSA-N 446.503 4.508 30 10 IJEE CC1(C)CN(C(=O)NCc2ccc(C#N)c(F)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 1682015447 FEXPHNXVJOYDCS-LJQANCHMSA-N 435.421 4.778 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1cc(Br)ccc1O)c1ccc(Cl)cc1F 1682366387 FFYKJTFXCFBFAQ-QGZVFWFLSA-N 439.712 4.853 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC=C)c1ccccc1 1690028498 YLHCDRQQOPENPY-WXFUMESZSA-N 430.596 4.629 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCSc1ccc(C)cc1 1690039411 FDUUSCAUCQNXEV-UHFFFAOYSA-N 435.984 4.557 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1nccs1 1690063488 FSFBPHVIQBZIDR-UHFFFAOYSA-N 425.627 4.824 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCC1CCC(OC)CC1 1690083513 IGOWOIUPNSOGSI-UHFFFAOYSA-N 430.980 4.565 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCc2cc(F)cc(C)c2C1 1690226537 CAJNSPJSTOWMED-UHFFFAOYSA-N 442.336 4.567 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)OC1CCCC1 1690251158 PVOFDVPLOBNEHA-HYBUGGRVSA-N 440.588 4.766 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1690328189 HBOHHQLXQBKAEP-IAGOWNOFSA-N 434.968 4.573 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(F)(F)Br)CC1 1690402451 COHPMVZEDVSFCP-UHFFFAOYSA-N 431.712 4.989 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC(=O)N(CC)CC)CC1 1690402723 NQGWFYUBCCKXKZ-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1690441863 HZQXUNLACIQBIT-SIKLNZKXSA-N 426.605 4.987 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690477028 XQBIODJFRPNDCN-IBGZPJMESA-N 447.370 4.530 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1690477099 ZPZLIZDWVSHOSH-LJQANCHMSA-N 429.996 4.696 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690509596 BDDULGJESUFTKX-OAHLLOKOSA-N 444.448 4.519 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC(F)(F)F)cc1 1690535030 UCFUKEYXFARIGQ-QZTJIDSGSA-N 438.494 4.766 30 10 IJEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCC1(C)C 1694544810 FEVWSGQACDORAZ-DVECYGJZSA-N 425.552 4.688 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1(C)C 1696192363 GRZUTGVDMFCNEI-YZGWKJHDSA-N 443.542 4.892 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1697149064 GJQXXPKSGJNHFM-OPJGWUQDSA-N 437.588 4.590 30 10 IJEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCC(F)(F)C2)CCO1 1698490543 DDPTUQZAXMBESP-YJBOKZPZSA-N 435.906 4.543 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCc2sccc2C1 1705528382 DTDDAXGESGNNNM-UHFFFAOYSA-N 436.581 4.780 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1ccc(Cl)s1 1705585787 ZSMDIQDZTOTUPG-UHFFFAOYSA-N 438.984 4.504 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCC1(C)C 1705602178 KZJHWSYMCBKBTE-HXUWFJFHSA-N 436.625 4.868 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCCC[C@H](COC)C1 1705701375 BHGDTIINHVBJAH-IPJJNNNSSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)N1CCC[C@@H](C)C1 1705713653 NQYOULXNSNENCD-LJQANCHMSA-N 439.604 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1705777595 HJXCQBRZWWBXCE-MHECFPHRSA-N 443.039 4.906 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C)CC1)c1ccccc1 1705797688 AGLCHGKPNUESIA-BIHRQFPBSA-N 438.616 4.988 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1C(F)(F)F 1705798748 ABYZRJOACFRQOT-UHFFFAOYSA-N 430.478 4.985 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1705856210 KMOZIHAHCCLOCP-ZWKOTPCHSA-N 428.602 4.549 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1c(C)noc1C 1705866854 BMYBFZVTRGEQOC-DNVCBOLYSA-N 427.574 4.792 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)Cc1cccs1 1706077021 FPKSHASJPYZFND-MSOLQXFVSA-N 432.597 4.886 30 10 IJEE CO[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCC#N)CCC(C)C)C(C)(C)C 1711551461 FXAABCLWBQJQLL-OAQYLSRUSA-N 441.576 4.501 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722311306 UVMSCIOYJHIEFE-HXUWFJFHSA-N 435.597 4.906 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCCC1(C)C 1722376830 DZCGLMBQDNVWFY-NRFANRHFSA-N 434.584 4.642 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCc1nc(C(C)(C)C)cs1 1722417076 ULNAGZIGYZPUHM-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1nc(C)no1 1722503533 VIOYLBAHAQWTLD-UHFFFAOYSA-N 435.359 4.979 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1cccs1)C(C)C 1722510571 SQOSAHUOKOJPTJ-OFNKIYASSA-N 437.613 4.722 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C)c1 1722511493 ZWLXCBSUDXTJDX-OFNKIYASSA-N 437.613 4.560 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1722531169 ORDJNWSBMXUDCS-QUCCMNQESA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722536204 SPAVTSICLYUUSA-BGYRXZFFSA-N 448.558 4.794 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1722580720 XWMGVOJKLUSWJL-KNQAVFIVSA-N 443.661 4.878 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2cccnc2Oc2cccc(F)c2)CC1 1722581319 BNPMPNBYIOVTNQ-UHFFFAOYSA-N 437.519 4.592 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2ccsc2)CC1 1722610264 ODNGALMOOAKRTM-UHFFFAOYSA-N 428.005 4.948 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1CC1(SC)CCOCC1 1722652592 JKKBOXPQQBGNTF-UHFFFAOYSA-N 430.618 4.515 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(C)=O)cc1 1722675561 OPYYWGULQLJGOJ-UHFFFAOYSA-N 445.523 4.681 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)CC1CCCCC1 1722708224 NADJWFMTZIMSIO-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)CN1CCCCC1 1740535022 MSUHGCNQJWRPKU-SLFFLAALSA-N 444.023 4.651 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC1(CC)CCOCC1 1740679244 REYVOBDSFHMIFG-UHFFFAOYSA-N 438.591 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCOC1CCCC1 1740773671 AQLYJLAMGUKLPB-JOCHJYFZSA-N 426.561 4.542 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(C)C)C1 1740816567 HSMWZRBHBZVBBV-ROUUACIJSA-N 438.016 4.975 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC2CCCC2)CC1 1740817286 APOHKEFZHASQIO-UHFFFAOYSA-N 437.588 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740850772 PYIOPBKQJNYZHE-IBGZPJMESA-N 431.625 4.669 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCn2cc(C)nc21 1740857400 MDJPVGMNCHWILS-SFTDATJTSA-N 426.609 4.785 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC2CC2)CC1 1740879560 JPONNUBFEODMAM-UHFFFAOYSA-N 437.632 4.653 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1C[C@H](C)O[C@@H](C)C1 1740904226 CKKBARPRIFTMHF-GJZGRUSLSA-N 439.387 4.990 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCC[C@@H]1C)C1CC1 1740907057 OIIJSGPRAZWPNG-AOMKIAJQSA-N 445.405 4.722 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1740917895 APEBWMFTDOGGGK-ZRZAMGCNSA-N 444.627 4.901 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCC([C@H]3CCOC3)CC2)nnc1C(C)(C)C)C(C)C 1740926802 LDTFSGDNIBENNT-XZOQPEGZSA-N 443.680 4.527 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1740934035 PGFBBOBNEJJMTQ-SANMLTNESA-N 436.600 4.928 30 10 IJEE CCCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1745302781 HEOQPFVXPMFBOG-DEOSSOPVSA-N 434.588 4.858 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)C1CCCC1 1748912755 IDUKQIKBUMRGGL-UHFFFAOYSA-N 448.640 4.711 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1749203996 RCBCJVHBQQGNJE-QHCPKHFHSA-N 437.632 4.834 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1749345592 NCAKYUVJDJYGDB-JOCHJYFZSA-N 442.677 4.547 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1749392951 FVZVPDDGECFBNE-RTWAWAEBSA-N 426.561 4.670 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1Cc1cc(C(C)(C)C)no1 1749531682 LGEWOMCDMPHJGL-UHFFFAOYSA-N 430.556 4.629 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)C1 1749701262 RMBAWLJBBSSCRK-VXNXHJTFSA-N 438.616 4.740 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1C(F)(F)C12CCC2 1760168753 OFBDAVGQCYGOIE-HXUWFJFHSA-N 428.527 4.875 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C(CC)CC)N(C)C 1760197687 GHDRHSSGFFQHGC-XMMPIXPASA-N 433.644 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)c1c(C)noc1C 1760212627 YZPHUUVRIPPWJE-AUSIDOKSSA-N 429.568 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C(C)C)N1CCCC1 1760288688 IHVPIKDBKNLZEQ-ONBPZOJHSA-N 433.644 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C)(C#N)CC1 1760315114 ALNXSOJDQYESNS-ZRBLBEILSA-N 433.600 4.931 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)C(C)C 1760315603 GYBVHNXDHUFCTM-MJGOQNOKSA-N 433.394 4.924 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCO[C@@H](C)C2)CC1 1760396394 CIXDSRHACWFXSZ-BJLQDIEVSA-N 428.552 4.775 30 10 IJEE CC[C@H](C)c1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1 1763548992 HAWZOCWOVLLUJS-RXVVDRJESA-N 427.618 4.602 30 10 IJEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1767328490 GCEFLBLUHRHQPT-WOJBJXKFSA-N 427.618 4.742 30 10 IJEE COCCCN(C(=O)CCc1ccc(OC)cc1)[C@@H](C#N)c1cccc(Br)c1 1857958630 VLDVGQPSKCKWMW-NRFANRHFSA-N 445.357 4.520 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccc(O)cc2)c1 1862412159 XXHDQPXVDJLZMP-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862474626 QKSSMXPEBLMKCR-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 1862478416 GQFYUVWBZBJUQL-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(Br)cc2)cc1 1862522358 HFPTZHGNNXDPNE-IBGZPJMESA-N 444.325 4.836 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCN(C)C)cc1 1862543387 FXJWKHXGTQIVLF-VWLOTQADSA-N 446.591 4.794 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862649017 OYMFUZYZCUIADA-HYBUGGRVSA-N 427.500 4.906 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862668343 WRNBCBHPYUHEBI-LJQANCHMSA-N 434.319 4.687 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2Cl)c1 1862700767 OAEBSZVWVXSMJT-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(F)cc2)c1 1862702523 FKVAZVKMSINKRG-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(F)c1 1862749345 WGJHTCZJGXUATF-YFZFPPMRSA-N 438.455 4.891 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 1862752633 ZWASLFRHGRBLTA-LJQANCHMSA-N 428.872 4.873 30 10 IJEE COc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1862787490 QYQGIARIEBGVOR-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(c3c[nH]c4ccccc34)C2=O)c1 1863131263 DXLBCGHDXNXWRE-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2cc(OC)ccc2OC)C1=O 1863718083 PETJAMDBXUENOP-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 1866946454 PEKQHBBEPXPPJW-YWZLYKJASA-N 442.357 4.738 30 10 IJEE C[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc(C#N)c1)C1CCCC1 1867021048 JCTCJSCYZDKKSM-WZONZLPQSA-N 435.593 4.741 30 10 IJEE CN(CCc1cnc[nH]1)c1cc(Nc2ccccc2C#N)nc(-c2ccc(Cl)cc2)n1 1868441058 ZIJKETAAJUITIE-UHFFFAOYSA-N 429.915 4.814 30 10 IJEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870107430 IWUKPRGNIWGEMS-FNORWQNLSA-N 432.698 4.810 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)c1ccc(-n2cccc2)cc1 1870111783 CLSRKALEAWGASB-UHFFFAOYSA-N 437.290 4.548 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871390450 XJLJPPMMDAADTC-JJFYIABZSA-N 432.403 4.895 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871808484 KSFQHVIWSRILEK-AUUYWEPGSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871888341 RPBVWNKZZNGWNW-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(C)(=O)=O 1872202058 QJCGHOPAKORGTD-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872203621 CVPIQHIVBNHDOX-QFIPXVFZSA-N 446.638 4.560 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872472983 KRKSFCBLCBKFNS-QHCPKHFHSA-N 428.598 4.932 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872511824 ZPUPLHCCQAJIQR-JOCHJYFZSA-N 446.638 4.549 30 10 IJEE C=CCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873239250 HMWNRQVNAKZTFR-UHFFFAOYSA-N 427.209 4.789 30 10 IJEE C[C@H]1CCCC[C@H]1N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)c(F)cc2F)C1=O 1873245458 JFGYZWXRDPXENZ-RNODOKPDSA-N 439.437 4.746 30 10 IJEE CCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Br)C1=O 1873250137 KNVGFLAGRKZSAK-UHFFFAOYSA-N 438.325 4.703 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccco1 1874314274 LFZWZYLKQJBBOO-XIEYBQDHSA-N 432.549 4.882 30 10 IJEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2cccnc2)cc1 1874316232 IVGANKLIKINXIK-WPWMEQJKSA-N 447.539 4.998 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1)Nc1ccccc1F 1874426158 UEQJECDSWNSRGA-YDZHTSKRSA-N 437.525 4.759 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(F)(F)F)c1 1874460540 YKRAARXGUUSPSH-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCOc1c(/C=N/n2c(SCc3ccccc3F)nnc2C2CC2)cccc1OC 1874520033 YMEMQYWHLYKNBC-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Br)cc1)Nc1nccs1 1874574639 XNGOQZUQUYOLHY-JXMROGBWSA-N 443.322 4.819 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 1874605158 RRJYMVWRZGDLBR-ZHACJKMWSA-N 431.916 4.501 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 1874610900 RJNKCUOWCWUWTC-VQHVLOKHSA-N 433.298 4.686 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)cc1 1874615307 QOSUPWXOONIVLX-OQLLNIDSSA-N 425.525 4.627 30 10 IJEE O=C(CCc1ccccc1C(F)(F)F)NCC#CCOc1cccc(C(F)(F)F)c1 1891051720 LJMYGKWQDNMHJG-UHFFFAOYSA-N 429.360 4.855 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 1892825948 QNRBYUBDXIYBNH-RDPSFJRHSA-N 429.561 4.963 30 10 IJEE C[C@@H]1[C@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC(C)(C)CN1Cc1ccccc1 1916977458 BAYCHLFASGORNU-PXDATVDWSA-N 448.460 4.765 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1953131836 HVMMYLWGLMKPEV-OFVILXPXSA-N 435.524 4.775 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3ccc(Br)c(Cl)c3)C2)OC1(C)C 1965481887 QLDPXEGZNLEJOU-ZDUSSCGKSA-N 428.563 4.801 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1991561518 XLOPWFMZISXXHR-CUVVAGTFSA-N 444.575 4.954 30 10 IJEE C[C@@H]1CN(c2cc(Br)ccc2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297263 QZUUVDOKLPLSLW-HZPDHXFCSA-N 428.330 4.557 30 10 IJEE CN(CCN(Cc1ccccc1)Cc1ccc(F)cc1C#CCCO)Cc1ccccc1 2034752427 RKWCGIIVZOIVPS-UHFFFAOYSA-N 430.567 4.694 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1 2079040240 KLKCIWIOGLLFNT-XYHOIZSOSA-N 437.325 4.901 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)c(F)c1 2142155816 LTWPGBBQLKXOMM-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC(OCCCNc2cc(Br)ccc2C#N)CC1 2162421767 IEERGNKGSPNAAY-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)NCc1cccc(C#N)c1 2181046700 MBJOBRYHWIEPGE-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE N#Cc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(F)c1Br 2186707288 CUVXGNLWQBHUES-MRXNPFEDSA-N 442.254 4.713 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(N)C#Cc1ccccc1Br 2235734534 WPUCPXSDSCAWMK-RADWXHQJSA-N 433.390 4.554 30 10 IJEE C=C(C[C@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)OC 2237417260 NUZWGFACNHBDLS-RBUKOAKNSA-N 441.410 4.803 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)sc(C)c1C 2247916342 VWYGAYHHCXKOQZ-UHFFFAOYSA-N 425.403 4.883 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255624078 VSUHLTYZCIHKFN-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2261823776 OQYXYBFJHIEBFX-UFOJEMMLSA-N 435.564 4.817 30 10 IJEE COCC#C[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262325989 CQFZFNVYLBQDEO-VWLOTQADSA-N 431.532 4.511 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(OC)c1 2266703471 QDPKBDATCANGOI-SJLPKXTDSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)C#Cc2ccc(Br)cc2)CCSCC1 2278783040 CXTKRNDQLDYPLO-UHFFFAOYSA-N 438.387 4.550 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296284097 NEBGRABLJPKZBN-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)c1cnc(NC(=O)OC(C)(C)C)o1 2296288527 IEVUUZDLXFNNNC-MRXNPFEDSA-N 434.334 4.877 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CC[C@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2301449616 SQRMVSFDXNIADB-YBYKEUDPSA-N 449.360 4.596 30 10 IJEE CC#CCN(CC(=O)Nc1cc(Br)c(Cl)cc1C)C(=O)OC(C)(C)C 2316111779 ZYNNNWUYJWVTBH-UHFFFAOYSA-N 429.742 4.610 30 10 IJEE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317217781 BNDBNGZAFCFGLY-UXHICEINSA-N 442.796 4.830 30 10 IJEE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353203 FTZOPOLGQBBILJ-FUHWJXTLSA-N 432.370 4.797 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCc2sc(Cl)cc2Br)C1 2320686720 CQUQWUBPRZXYRE-UHFFFAOYSA-N 449.798 4.641 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(CCc1cccs1)CO2 2322197118 VIQQDZVAAXMEAU-UHFFFAOYSA-N 447.512 4.796 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)C=Cc3ccco3)ccc2C1=O 2323157869 VQKFZDBOXLLHMR-UHFFFAOYSA-N 448.427 4.540 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323693277 AMQGIXIJUXEYLV-UHFFFAOYSA-N 434.404 4.987 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccco2)c(Cl)c1 2323992456 QYVYCYFXYJIQFA-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(OC)c1 2324688253 KHIBBYSALQOPON-MRXNPFEDSA-N 426.444 4.995 30 10 IJEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(F)c3)ccc2OC)c1 2325747876 JCXATPMQMKEGFZ-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCc1ccc(S(=O)(=O)OC2CCC(NC(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2325883597 RUCGSKIUBSCEQG-UHFFFAOYSA-N 447.984 4.749 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C#N)cc2)cc1OCC 2326660606 CVUPUMCBFZEBRE-UHFFFAOYSA-N 435.553 4.820 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccnc2)cc1 2330546400 NQDBVTPASSPYCU-UHFFFAOYSA-N 448.577 4.577 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331069602 YPLPHLPQFWIYRH-FQEVSTJZSA-N 430.884 4.728 30 10 IJEE COCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(C(F)(F)F)cc1 2331281837 XFISWYCFYRWLIN-UHFFFAOYSA-N 438.450 4.799 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C1CCC1 2331484149 PYZGKJCMHFJBCM-UHFFFAOYSA-N 449.580 4.946 30 10 IJEE COCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2331565525 NBBCSCMQHKQENO-UHFFFAOYSA-N 439.541 4.805 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)C)cc1 2331684982 NDDKTJQZFKEXQO-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CC[C@H](NCCN(C(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338513097 PKAWYKWFQRVJMV-NRFANRHFSA-N 446.441 4.672 30 10 IJEE CC1(C)C[C@](C#N)(Cc2ccc(I)c(Br)c2)CCO1 2349877843 JSKYOGKIUGREMA-OAHLLOKOSA-N 434.115 4.695 30 10 IJEE Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3ccc(C)c(C)c3)c3ccccc32)c1 3041404 NLIGGJFFZNPBHQ-VYIQYICTSA-N 428.561 4.849 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C 4212861 XWJWVSCQWTVCBQ-UHFFFAOYSA-N 434.565 4.544 30 10 IJEE COc1ccc(C(=O)/N=C(\Nc2cc(C)cc(C)c2)N2CCN(C3CCCCC3)CC2)cc1 15729088 LYOPXIJSOVHWEA-UHFFFAOYSA-N 448.611 4.871 30 10 IJEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1OC 20882695 LLQODXGOOJVYRN-FPOVZHCZSA-N 449.547 4.743 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1 21079005 FIRIXFLPSLAZBQ-OGMQXUJQSA-N 426.933 4.608 30 10 IJEE Cc1ccccc1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1cccc(O)c1 22695707 OCWCKHIGODUXEH-UHFFFAOYSA-O 442.358 4.802 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1 35443934 ALPPWQDBBSBOBM-KKFJTVDOSA-N 432.564 4.569 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(O)c1 35444988 RVWLVZKDMRKYRT-LAUMOQQDSA-N 425.484 4.613 30 10 IJEE Cc1cccc(N2C(=O)C[C@@H](S/C(=N/c3ccc(F)cc3)NCc3ccccc3)C2=O)c1 59446165 IYDIFUPANYQPLB-JOCHJYFZSA-N 447.535 4.977 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 63390694 AJPFRGYDRYBEOF-UHFFFAOYSA-N 444.919 4.950 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccnc1)c1ccc(Br)cc1 96592242 MINKNWHRGQMSJL-IBGZPJMESA-N 435.277 4.627 30 10 IJEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2O)cc1 169923983 CJRDWXBAOVHTPU-DEOSSOPVSA-N 429.472 4.503 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 169926879 JTRURDUONWBODE-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(O)c(Br)c2)C(C(=O)c2ccccc2)=C1C 169929039 LDFVPBSXUOZYOQ-IBGZPJMESA-N 445.382 4.953 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)c1 169953385 IQSVJUVTVNJOIS-QHCPKHFHSA-N 428.488 4.544 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 169957686 DZGLXHIFKONFNX-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccncc2)c1 170014932 FINYTXQPKJAOAP-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4sc(C)nc4C)[C@H]3c3ccc(C)o3)nc2c1 170103801 BIOLQABVIOMZND-GOSISDBHSA-N 448.504 4.629 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2)cc1C 170114518 VELHMBQTAPQHRF-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170247999 DMESDDSFSLTQHQ-QFIPXVFZSA-N 433.410 4.683 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303214 ULWCFYXVBVMQLY-HXUWFJFHSA-N 437.835 4.753 30 10 IJEE CC(C)COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccncc2)c1 170420198 WMRIWGSCBOFEFG-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1OC 170434440 BMXYBSHPERINBL-HXUWFJFHSA-N 429.900 4.791 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(O)c(OCC)c2)c1 170463171 FLCKLWLPYAZJEO-HSZRJFAPSA-N 439.508 4.705 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)COc3cccc(C)c3C)cc(C)c2c1 170536285 SHWKTHHIGVWQBX-UHFFFAOYSA-N 439.519 4.852 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)COc1cc(Cl)ccc1Cl 170536758 FVNMJHSZNAOYRB-UHFFFAOYSA-N 438.274 4.616 30 10 IJEE COc1cc(C=NOCC(=O)N(C(C)C)C(C)C)ccc1OCc1ccc(Cl)cc1 254822543 JUNDLJCNTRBGMR-UHFFFAOYSA-N 432.948 4.924 30 10 IJEE Cc1cc(Nc2ccc(I)c(Br)c2)c(C#N)c(C)n1 311629905 LRIVSUXWBQOZAS-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE CC1(C)OB(c2cc(NC(=O)c3csc(Br)c3)ccc2Cl)OC1(C)C 404997114 IPJDMGJDIZYDMT-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1cccc2c1OCCC2 440735699 XRNJVWQFIULQIG-UHFFFAOYSA-N 449.454 4.613 30 10 IJEE COc1ccc([C@@H](CNC(=O)NCC2CCC(C#N)CC2)c2c[nH]c3ccccc23)cc1 442437400 TUHUDKLLUXRXQM-MTNXOHHFSA-N 430.552 4.938 30 10 IJEE N#CC1CCC(CNC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)CC1 442739687 QTFIEXMPBMHFAC-UHFFFAOYSA-N 431.943 4.607 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 490047629 FGSHYTFLGOHAEO-GJZGRUSLSA-N 440.638 4.650 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 500761126 CERFVEJIGYXUHF-SFHVURJKSA-N 437.544 4.515 30 10 IJEE COc1cc(C)cc(CNC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 503135146 IDKDFRSZSZEWPO-QFIPXVFZSA-N 447.922 4.567 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 508485824 AFCQSTMFZYZINB-JTSKRJEESA-N 440.494 4.769 30 10 IJEE C=CCn1c(-c2ccoc2)nnc1N1CCC(Oc2cccc(Br)c2)CC1 508498927 WJAFGAUZNNCBSH-UHFFFAOYSA-N 429.318 4.534 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508915034 VXZWCMVOGJRANJ-MRXNPFEDSA-N 436.585 4.813 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 510662994 JARDMEHSBJOLNC-QGZVFWFLSA-N 436.491 4.715 30 10 IJEE C=CCn1c(SCc2ccn(-c3ccc(F)cc3)n2)nnc1[C@H]1COc2ccccc2O1 525623169 ITRLHOZIBBZDJM-OAQYLSRUSA-N 449.511 4.594 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(SCc2ccco2)C1=O 526667786 ICJYYSBWYGQDTI-UHFFFAOYSA-N 445.500 4.599 30 10 IJEE Cc1cccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCCCCC3)C2=O)c1 526694044 CCKIGZZNRPLCIB-UHFFFAOYSA-N 446.576 4.632 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Oc2ccc(F)cc2F)CC1 533240330 NCEUXERLCYAMGG-INIZCTEOSA-N 445.535 4.841 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 549291303 DMMMKLKNEZMLJR-KNQAVFIVSA-N 425.646 4.544 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 564304148 SGCMCKQQZPUOCB-HXUWFJFHSA-N 430.911 4.603 30 10 IJEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 578560646 ZOKJLVOZTSTGRY-LJQANCHMSA-N 448.523 4.512 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 609643657 XSAIZDHIDRHQKR-UHFFFAOYSA-N 427.460 4.874 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 685549351 SFPKFLZETOHXJV-ZEQRLZLVSA-N 428.536 4.709 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 698426924 HKVWHOIIZNWYQJ-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE COC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 708738725 VQLOWUPEJHOXSX-OAQYLSRUSA-N 439.940 4.515 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)cc1 727122366 CJUFPNJVWXZOAZ-DBVUQKKJSA-N 442.560 4.501 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 778297377 IIVZMRAXCCRBLP-FZKQIMNGSA-N 448.489 4.638 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Oc2ccccc2Cl)cc1 787056535 OMSIWKFKCIJQMO-LJQANCHMSA-N 449.850 4.679 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)CCCN1C(=O)OC(C)(C)C 819093280 WCMDTFNPGBVJNA-IUBQTAPSSA-N 441.572 4.732 30 10 IJEE C[C@H](Sc1n[nH]c(NN=Cc2cccc(Br)c2)n1)c1nnc(C2CCC2)o1 1084134002 RFJHLFCXAUKCKE-JTQLQIEISA-N 448.350 4.517 30 10 IJEE COc1ccc(C(=NN(C)C)[C@@H](c2ccc(OC)cc2)[C@H]2OC(=O)c3ccccc32)cc1 1088659292 MZHQVBWZGDKTKN-NOZRDPDXSA-N 430.504 4.665 30 10 IJEE CN1CCN(/C(=N/Cc2cccc(C(F)(F)F)c2)Nc2cc(C(C)(C)C)ccc2O)CC1 1088735326 IGWLVFBDYJQATB-UHFFFAOYSA-N 448.533 4.924 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C)CCc2ccc(Br)cc2)cc(OC)c1OC 1125288737 QSWRXKQAPKXTEJ-OAHLLOKOSA-N 432.358 4.946 30 10 IJEE COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 1126210674 CHYLESSKEVQORM-AREMUKBSSA-N 427.548 4.964 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@]1(F)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1126231294 NVWQHJVAMQAWBZ-JQVVWYNYSA-N 428.301 4.619 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Br)cc(OC(C)C)c2)c(OC)c1 1126626533 ZPTIWZDPHSRVIM-UHFFFAOYSA-N 434.330 4.991 30 10 IJEE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1140140861 AKGHDNDMWZBBOY-HSZRJFAPSA-N 449.551 4.610 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN[C@H](COc2ccccc2F)C(C)(C)C)c1C 1168528759 GMCAVLPBWDANAU-HSZRJFAPSA-N 425.548 4.773 30 10 IJEE N#Cc1ccc(Br)c(CN2CCOc3cc(F)c(Br)cc32)c1 1170638127 HCVFQQIMGOVPPX-UHFFFAOYSA-N 426.083 4.621 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1OC 1178436666 OQVFUWXEJVJHKW-UTKZUKDTSA-N 445.401 4.633 30 10 IJEE C=CCC(C)(C)C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1182072279 LUHLGYZLUOVDMW-UHFFFAOYSA-N 428.573 4.780 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@H]1C 1188063126 TYTMLRRCXNJDHQ-WAOWUJCRSA-N 425.598 4.686 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 1188229669 FPALOZGZTZMZRM-FQEVSTJZSA-N 432.879 4.866 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(F)cc2F)n(-c2ccc(F)cc2)c1C 1192822976 BBZZSEPQWMHVQN-AWEZNQCLSA-N 426.442 4.672 30 10 IJEE N#CC(CCN(CCC(N)=O)[C@H]1CCOc2ccccc21)(c1ccccc1)c1ccccc1 1194348030 CYYGSLSIIRHIEZ-VWLOTQADSA-N 439.559 4.588 30 10 IJEE C=CCOc1ccc(CNCc2c(F)c(F)c(Br)c(F)c2F)cc1OC 1202913349 ISVUTTWTTBHCPY-UHFFFAOYSA-N 434.227 4.869 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccnc(O[C@@H](C)CC)c1 1206194207 FNOSGKWVCVWIAY-AWEZNQCLSA-N 434.334 4.908 30 10 IJEE C#CC1(O)CN(Cc2ccc(Br)cc2Oc2ccc(Cl)c(Cl)c2)C1 1207733208 XOQDFSIALPYRMU-UHFFFAOYSA-N 427.125 4.728 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCN1c2ccccc2C[C@H]1C 1221591874 HLKMNJVAFQTALN-MRXNPFEDSA-N 446.364 4.737 30 10 IJEE C=CCC1(CNC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CCCC1 1248674414 CMQCMCLAHUBZPV-UHFFFAOYSA-N 425.495 4.549 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1252479721 RUWKMHZRIJHMAX-GOTSBHOMSA-N 449.913 4.703 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)COc1ccc(OCCC)cc1 1264905824 NKTQZJMWRPQNIP-UHFFFAOYSA-N 436.321 4.971 30 10 IJEE C#CCCCCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1266129750 YRTOWLHJMVCGKJ-UHFFFAOYSA-N 446.572 4.615 30 10 IJEE CCN(CC)c1ccc2nc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)sc2c1 1274888372 FEWUZPYCOTXSLT-INIZCTEOSA-N 437.544 4.618 30 10 IJEE C=CCn1c(SCC(=O)Oc2cccc3c2OCCC3)nnc1-c1ccc(Cl)cc1 1277228305 IBCSGTFNIUZUFA-UHFFFAOYSA-N 441.940 4.807 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc(OC)c1OC 1277464827 JVBFAIJEFCKSOR-ZYSHUDEJSA-N 431.573 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1CC 1286291273 WHVJTFXNNPIQBP-XUVXKRRUSA-N 446.599 4.520 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N(C)Cc1ccc(Br)s1 1286343030 FENMBCGEWBYQJD-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C(CC)CC)N(C)C 1286515952 UKRIJIKGDQWZIH-XUZZJYLKSA-N 428.024 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H](C)c1nccs1 1286528948 QAMVHEFJNAYRMJ-MHECFPHRSA-N 435.597 4.672 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(C)C)C1 1286533479 HMRAUDIMMJGOCD-INIZCTEOSA-N 434.338 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)C)C1 1286558743 QQLLWOPXBJCPGI-JTAQYXEDSA-N 429.008 4.986 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccco2)CC1 1286655745 RHRKHYJYSATGFM-UHFFFAOYSA-N 431.309 4.890 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nc(C)cs2)CC1 1286655923 LMIXVLNDWZAEDP-MRXNPFEDSA-N 427.549 4.773 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 1286663101 GOEUHVAWYVSDAU-SFHVURJKSA-N 436.478 4.521 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1286686679 BZJOIVOUVACVGL-UHFFFAOYSA-N 439.648 4.862 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286691867 STINRPHOMOGTCR-GBXCKJPGSA-N 442.629 4.619 30 10 IJEE C=CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC[C@@H](OC)C(F)(F)F)C1CC1 1286734236 RNPNLPRICYNWHD-LJQANCHMSA-N 433.478 4.559 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CSCCS1)C1CC1 1286739583 HYDPOAFOJJRRQM-GOSISDBHSA-N 437.034 4.514 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CC(C)(C)C(=O)NCC 1286747875 NYTMKNSBAOXIAJ-UHFFFAOYSA-N 437.613 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@]1(O)CCC[C@@H]1C 1286748198 SXDZQFJGUSAPAO-GAJHUEQPSA-N 426.561 4.889 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CC[C@]3(CCSC3)C2)nnc1C(C)(C)C)C(C)C 1286752493 XWIJRFKVJRTCJX-RDPSFJRHSA-N 431.694 4.608 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(SC)CC2)C1 1286801039 VMZSTQYQTBSAJN-PMACEKPBSA-N 442.629 4.712 30 10 IJEE C#CCCN1CCC(NC(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)CC1 1293933235 QZQFBDFJEMOOGI-UHFFFAOYSA-N 431.363 4.790 30 10 IJEE C=C(C)[C@H](NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)c1ccc(F)c(F)c1 1296650788 BUMZGCAOVKOBOK-QFIPXVFZSA-N 442.535 4.996 30 10 IJEE CO[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)(C)C 1299642026 GXZICEOYCRNABU-OFVILXPXSA-N 447.587 4.526 30 10 IJEE CO[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@](C)(C#N)C1)C(C)(C)C 1299642031 GXZICEOYCRNABU-SQJMNOBHSA-N 447.587 4.526 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1300601525 IZGPSYBJAVHGOV-WOJBJXKFSA-N 441.595 4.527 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1300601699 KGTPBYRSJNGFAY-CTNGQTDRSA-N 439.604 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(OCc3ccccc3)CC2)nnc1C(C)(C)C 1300898707 ZOYLAZODOCORDV-GMAHTHKFSA-N 438.616 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1Cc1cc(C(C)(C)C)no1 1300925203 QNENQLXHWOBSDZ-UHFFFAOYSA-N 439.560 4.602 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1301086362 IXRHSDSMOHABAX-QHCPKHFHSA-N 443.586 4.814 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C(C)C)N2CCCC2)CC1 1301095991 RZOUGOCASMAIRZ-HSZRJFAPSA-N 437.632 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(CCC)C(=O)C1 1301154369 QUFVGTLRCKRLAD-UHFFFAOYSA-N 444.023 4.573 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1301214935 KVTZVZBBXNEDNJ-HXUWFJFHSA-N 427.911 4.677 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301235306 ZDVWKPCUBZRSQP-IBGZPJMESA-N 438.601 4.920 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1CCCCn1cc(Br)cn1)C1CC1 1301320982 SXVHFKXHRCZJRW-UHFFFAOYSA-N 441.377 4.539 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@](C)(CC)O1 1301340585 JHOMPOZHPWJVJX-GJZUVCINSA-N 444.583 4.696 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1301346999 MOJTZZPVOGUGNU-CUNXSJBXSA-N 446.643 4.987 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C 1301413422 VJSQTCAFKSCJAZ-UHFFFAOYSA-N 433.581 4.819 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c1 1310256688 HZWTWOTVIRBDAS-UHFFFAOYSA-N 447.576 4.569 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1OC(F)F)c1ccc(F)c(F)c1 1310281539 WTOUVZFPZSREBC-QGZVFWFLSA-N 426.366 4.792 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3)c3ccccc3)CC2=O)cc1Cl 1348887523 CENRNXWMSOAVAM-FQEVSTJZSA-N 429.907 4.798 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C#N)s1)c1ccc2c(c1)OCCO2 1351530308 AMAMOGLLKKSLTC-UHFFFAOYSA-N 432.501 4.803 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCN(CC(C)C)C1 1358874806 DCRBJYNSVXAHPB-VXKWHMMOSA-N 444.627 4.628 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1c(CC)noc1C 1358898033 KZTAGPMHFOFYAB-QGZVFWFLSA-N 435.572 4.520 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[C@H]1CCCCO1 1359003530 OJOPJUKNMBSLIF-AZUAARDMSA-N 426.630 4.940 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CC)CCOCC2)CC1 1359176251 QYITXILZJUYRAF-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359220389 XSHYCYRXMRPJDN-OAQYLSRUSA-N 428.577 4.616 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCC(c2ncc(C)s2)CC1 1359228870 RJRJMLNFAACZIW-UHFFFAOYSA-N 429.634 4.752 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCCN1CCCCC1=O 1359263883 ONVLSRMTKWGVMC-UHFFFAOYSA-N 427.618 4.592 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(C)CCOCC1 1359279885 WRBPBBSYYLZSSM-UHFFFAOYSA-N 426.605 4.698 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1359339549 JADPKIZAKQQIBY-PKOBYXMFSA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359339720 OWLZBRGUKYICBF-MRXNPFEDSA-N 426.508 4.652 30 10 IJEE C#CCN(C(=O)Cc1cc(F)c(C)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1360310764 KWRYKMRANAJVOU-LJQANCHMSA-N 434.280 4.564 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 1435609636 OBUJOUGPHRYOIP-UHFFFAOYSA-N 443.805 4.728 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1cnc(-c2ccccc2)cc1=O)c1ccc(C(F)(F)F)cc1 1435635167 OJTRKVXENHJWHG-HXUWFJFHSA-N 441.453 4.753 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)c(CC)c(Br)c2)CCOCC1 1437481730 PRKBOJXMCNKJHL-UHFFFAOYSA-N 431.168 4.629 30 10 IJEE COc1cc(OCCN(C)C)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N 1451455051 IDQBZLRWXDAMQJ-UHFFFAOYSA-N 431.492 4.552 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)c1 1455948768 LOYXULXQLCZGJU-HXUWFJFHSA-N 430.454 4.532 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(N3CCC(C)CC3)c2)CCCN1C(=O)OC(C)(C)C 1456666588 JJKHDOCGDZFFKC-RUZDIDTESA-N 425.573 4.654 30 10 IJEE C=CCCCN(CC)c1nc(CN2CCCCC2)nc2sc(C(=O)OCC)c(C)c12 1458673774 DONSUZJWZAIFPW-UHFFFAOYSA-N 430.618 4.955 30 10 IJEE C=C1CCC(CNS(=O)(=O)c2c(Br)cc(C)cc2Br)CC1 1464461638 XFFCQZQGJCADCM-UHFFFAOYSA-N 437.197 4.545 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 1465535816 YEOIGSHHEVKFAG-JTSKRJEESA-N 425.504 4.654 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 1465961091 YJJMCGIHEVCKHJ-OAHLLOKOSA-N 436.858 4.580 30 10 IJEE COc1ccc(CCN(Cc2ccsc2)C(=O)Nc2sccc2C#N)cc1OC 1466993794 FWHFGIPBFPUVAA-UHFFFAOYSA-N 427.551 4.975 30 10 IJEE C#CCN1CCC[C@H]1C(=O)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1467480564 ZQLGLAPVUDUZFI-XZOQPEGZSA-N 444.497 4.772 30 10 IJEE Cc1cc(CNC(=O)C(F)(F)F)cc(Nc2nc3c(c(C#N)c2C#N)CCCCCC3)c1 1472781315 FTUAJSUDWZJLBA-UHFFFAOYSA-N 441.457 4.714 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1475941757 OXBFMEWSUMTNOT-UHFFFAOYSA-N 431.558 4.671 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2nc(-c3ccccc3)cs2)cc1 1476041610 LXRUQUAHNXJJGM-UHFFFAOYSA-N 432.549 4.946 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(C)C 1476312375 LVUUXDSVLAXMQC-HXUWFJFHSA-N 435.494 4.711 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1478774174 VBCMXSDKESBXRU-UHFFFAOYSA-N 425.495 4.699 30 10 IJEE C#CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC(=O)NC(C)C 1507555540 SPGRUFVDMWXIRR-UHFFFAOYSA-N 444.004 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@H](SCC)C1 1507797885 SXJCIGSLKBOJOC-ZJOUEHCJSA-N 430.618 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1507803820 IYQHDMIKKBVEKJ-XFQAVAEZSA-N 445.405 4.708 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1507926322 RDGZJQFOBWVRCT-SSEXGKCCSA-N 444.004 4.724 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1507936132 YFOMQVHKFNRDNT-FKBYEOEOSA-N 440.588 4.787 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1C(F)(F)C12CCC2 1507973584 KOHBHRIXKSEKFK-HNNXBMFYSA-N 441.295 4.904 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCN1CC 1507985459 FBIFKZHXPHFPPA-OAQYLSRUSA-N 425.621 4.786 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCn2ccnc21 1507999104 XMCWTXQZLUATGX-HXUWFJFHSA-N 434.588 4.551 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1508010263 PCQHFITVAYPQMK-MOPGFXCFSA-N 429.609 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCc1cccs1 1508014589 BJXGTEABTQFFMN-UHFFFAOYSA-N 432.391 4.529 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCC(F)(F)C1 1508415815 DZHCCZZEGMDLSV-IAGOWNOFSA-N 445.514 4.528 30 10 IJEE C[C@@H]1CCCCN1Cc1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)cc1 1516575123 BOHDOKJQGJSDBE-MRXNPFEDSA-N 442.357 4.713 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C)CCCC2)ccc1OC(C)C 1517953874 GSONGBFBUJLKJT-SFHVURJKSA-N 425.577 4.917 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCCO2 1524357349 DKXHQZNFSZUKTB-UHFFFAOYSA-N 436.895 4.918 30 10 IJEE C#Cc1cccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 1525411505 VNHSHEDLQBRHFJ-IZZNHLLZSA-N 428.963 4.853 30 10 IJEE COc1ccc(N(C)C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F 1525500979 IFTPYYXDIQJKTH-UHFFFAOYSA-N 425.300 4.914 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc1OC 1530580784 IRCHLIPYMDAWKI-FLIBITNWSA-N 427.460 4.971 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC(C)(C)C)c2ccc(CC)cc2)ccc1F 1533252987 KLVNPWQRDAGFAA-UHFFFAOYSA-N 432.561 4.545 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)COc1ccc(CCC(C)=O)cc1 1535433491 VTMSKDAIOLIDTO-UHFFFAOYSA-N 432.314 4.553 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 1535721068 ACHZNLDUNJEJEH-FCHUYYIVSA-N 427.386 4.890 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H](C)c2ccc(I)cc2)cc1 1537415985 AXHBSFQYIVLTGB-CQSZACIVSA-N 436.314 4.863 30 10 IJEE Cn1cc(Br)c(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)n1 1538064398 IBZQZUYAFHOTKI-UHFFFAOYSA-N 429.705 4.555 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)COc3cccc(C#N)c3)c2C(=O)OC(C)(C)C)[C@H](C)O1 1538949579 FSIBPNGHVFXUPK-KBPBESRZSA-N 442.537 4.615 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1539059904 UOWMRDKFPSTJKW-UHFFFAOYSA-N 440.588 4.550 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)s1 1539390799 VSWYEYVXMNWMDJ-UHFFFAOYSA-N 437.931 4.882 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1539510111 FDZVIECYXGTNBY-SFHVURJKSA-N 437.613 4.577 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(Cc1cccs1)C1CC1 1539520609 VNWXJTXUUIEWNW-UHFFFAOYSA-N 426.586 4.605 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCC[C@H](COC)C1 1539786780 AHNRUDRYHMCYKY-SFHVURJKSA-N 448.995 4.748 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1)C1CC1 1540108374 QIIUROUYTIBAAX-UHFFFAOYSA-N 437.588 4.596 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CC[C@@](C)(CC)O1 1540122810 ZVFVUFHPHHXPHF-PXDATVDWSA-N 430.556 4.685 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@H]1CCC 1540133841 LHOAMNOJNVSTPI-YLJYHZDGSA-N 434.519 4.618 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1540916021 RDIVUKLVJVIRHX-SFTDATJTSA-N 428.602 4.789 30 10 IJEE CC[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N(C)C(=O)OC(C)(C)C 1542160108 HDXIOWKIJHKAOR-JOCHJYFZSA-N 437.540 4.916 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)C[C@@H](C)C#N)cn1 1542383731 GQJXQYDTGIJSBF-IBGZPJMESA-N 432.572 4.718 30 10 IJEE C=CCN1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)CC1 1542975200 PJCJGWHCTVXOCD-UHFFFAOYSA-N 447.410 4.828 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2cc(Br)c(C#N)cc2F)CC1 1559100712 FTROBHFUWVMURD-LBPRGKRZSA-N 426.330 4.589 30 10 IJEE C#Cc1cccc(N(CC(=O)NCCc2nc3ccccc3s2)Cc2ccccc2)c1 1559644751 KUNUMTRDQSNOSA-UHFFFAOYSA-N 425.557 4.643 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCc3ccc(C(C)C)cc32)cc1 1562197006 BMCDCORETNTYFM-QHCPKHFHSA-N 441.597 4.816 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](CN(C)C)c3cccc(C(F)(F)F)c3)cc21 1563315730 PDKRFLVCDLCQHE-LJQANCHMSA-N 431.462 4.666 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1ccc(Br)cc1 1565000558 ZRSLIHIVLBWKPD-FGZHOGPDSA-N 441.369 4.557 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C 1570575643 HNFWBTSONUPCRC-IAGOWNOFSA-N 445.000 4.525 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 1583328778 FXWTYDUTOAFRGT-UHFFFAOYSA-N 428.717 4.510 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(OC4CCCCC4)cc3)ccc2c1=O 1584396917 ZXCBHTMSESXXGV-UHFFFAOYSA-N 449.576 4.513 30 10 IJEE N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1584702605 FHPDSSNVVSHMCI-QRWLVFNGSA-N 446.425 4.962 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)cc21 1585545952 BUGJMIJXCFSNHU-AWEZNQCLSA-N 429.307 4.521 30 10 IJEE C=CCn1c(SCC(=O)N(CCOC)[C@@H]2CC[C@H](C)C2)nnc1-c1ccc(Cl)cc1 1586512463 ZMKLFIHHIHKMPM-QFBILLFUSA-N 449.020 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@H](C)C1CCC1 1589506180 SJWFVFPMNNDUAW-ZNLUXHQJSA-N 439.560 4.849 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1589701288 XFGYOYKAJGROGL-IBGZPJMESA-N 427.980 4.597 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCC[C@H]2CC)CC1 1594012973 AAEPZYBOJREOEM-IFMALSPDSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1594102417 MCWACXZYHWGAJU-JOCHJYFZSA-N 425.596 4.532 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2CCOCC2)CC1 1594192289 HEOBABACEQCBQD-IBGZPJMESA-N 440.588 4.646 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1594193983 UMTMOMMRTWXHAR-BJLQDIEVSA-N 428.552 4.632 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1594241176 IJENLQQLAGYHOF-UHFFFAOYSA-N 441.586 4.934 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(COC)c2)CC1 1594438555 VLRVROFZVCPMEX-DHIUTWEWSA-N 438.616 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)C1 1594491679 HUTNYMZRHJOSKS-IBGZPJMESA-N 448.615 4.904 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ncccc1C 1594992979 WSTLHKKYVUWNGR-UHFFFAOYSA-N 425.964 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCn2ccnc21 1595191132 NPWPCSHSPRYEAQ-MRXNPFEDSA-N 426.927 4.690 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1595854816 OACJMVXRTNJNNO-UHFFFAOYSA-N 443.020 4.635 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 1596511659 RSMCRIBEBVGQDR-NHCUHLMSSA-N 444.934 4.991 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)C2CC2)c1 1611469662 FAFUWHXLAYLKMH-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)c(OC)c1 1611570540 KLWVHJHHJIEEKO-UHFFFAOYSA-N 444.959 4.871 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1616499768 AIIZIHMKMWGDLC-OAQYLSRUSA-N 430.556 4.531 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)cc1 1621947838 LYJOIZPZJDVAKL-VWLOTQADSA-N 437.561 4.890 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1 1624131360 JDEPPICDDPNPMB-UHFFFAOYSA-N 426.992 4.792 30 10 IJEE Cc1nnc(CCNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)s1 1625884201 GQZABAGLKBDWEK-UHFFFAOYSA-N 430.349 4.500 30 10 IJEE CCn1c(O)nc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)ccc21 1626671308 AGALJTKWWGPNGB-UHFFFAOYSA-N 430.439 4.604 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1628462330 YDZDZHATZWCJIU-UQASEVPWSA-N 435.524 4.837 30 10 IJEE N#CCOc1ccc(CNC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 1631010492 DXCXXJQQUWAJQT-JOCHJYFZSA-N 442.544 4.982 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C 1632046357 AGWQRIFIWUPTCK-ISNLERQRSA-N 448.563 4.542 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC)[C@H]1C[C@@H](OCC)C12CCCC2 1633954416 MFJPEASADWNCEY-GBESFXJTSA-N 443.028 4.999 30 10 IJEE N#CCc1cccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1 1635702444 ABFNXYPLUGLLEZ-UHFFFAOYSA-N 443.887 4.598 30 10 IJEE C=CC[C@H]1CCN(C(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)C1 1636212994 BKHOUKUQEBSQEE-FQEVSTJZSA-N 431.577 4.743 30 10 IJEE C=CCCSCCNC(=O)N1CCN([C@H](CC)c2ccc(Br)cc2)CC1 1636743583 KNFWEDGHCAXPGN-LJQANCHMSA-N 440.451 4.537 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc21 1637760715 HSLZXKFQHFRUGC-JOCHJYFZSA-N 429.520 4.713 30 10 IJEE Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2c(-c3ccccc3)csc2n1 1642547274 AQLNAYZVZSGQML-FUHWJXTLSA-N 435.553 4.838 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1 1645191517 FSWJRQIGIFWZBU-HNNXBMFYSA-N 435.874 4.746 30 10 IJEE Oc1ncc(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc12 1648496095 CDYVCWQHUUBOIT-STQMWFEESA-N 426.307 4.543 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)C)C1 1649663212 FXRKSDZVEPUSSL-PWRODBHTSA-N 427.618 4.598 30 10 IJEE C=CCn1c(SCC(=O)c2ccns2)nc2sc(-c3ccccc3)cc2c1=O 1651730455 WBBREHSIJUVVRN-UHFFFAOYSA-N 425.560 4.743 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2nnc3ccccc32)cc1 1652378581 KPWGZUKAQUOLLZ-HXUWFJFHSA-N 435.528 4.609 30 10 IJEE COC(=O)c1cccc(CSc2nc(-c3ccccc3)c3c(C)cc(C)nn23)c1C#N 1656111806 DTDYOBVYELTZIL-UHFFFAOYSA-N 428.517 4.964 30 10 IJEE C=CCOc1ccc(CN(Cc2nnnn2-c2ccc(OC(F)F)cc2)C(C)(C)C)cc1 1657741759 HSCUJILVHSJASH-UHFFFAOYSA-N 443.498 4.629 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1c(F)c(F)c(Br)c(F)c1F 1658163235 CKADOKVPYGXUEC-UHFFFAOYSA-N 436.630 4.961 30 10 IJEE C=C(C)C[C@H](NCc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(=O)OC 1659832697 QLTAYLPXBDEXQJ-NRFANRHFSA-N 425.529 4.693 30 10 IJEE CCCc1c(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cnn1-c1ccccc1 1660573489 BGRAZHROWAKORJ-UHFFFAOYSA-N 448.958 4.704 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc([Si](C)(C)C)cc2)cc1OC 1662568005 NLCIIEAJCABCJJ-UHFFFAOYSA-N 434.450 4.858 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1 1664087806 XWMBLYVBISLUPU-IERDGZPVSA-N 439.499 4.975 30 10 IJEE C#C[C@@H](N[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC)c1ccc(Br)cc1 1664837882 KOWRDEGUNKDMMZ-CXAGYDPISA-N 435.749 4.792 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccc(Br)cc1 1667211591 FWQCWJJGOSMFHI-SFHVURJKSA-N 428.330 4.848 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1667452798 DRVSEFMNZZMINC-WBVHZDCISA-N 428.863 4.819 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Br)c(Cl)cc1C 1669692309 OPAKJJKRNWGBBR-HNNXBMFYSA-N 428.779 4.877 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c(C#N)cn1CC 1672913413 FSPJKXMIQAYVQX-CTYIDZIISA-N 449.338 4.931 30 10 IJEE C#CCN(C(=O)NCCc1cnc(SC2CCCC2)nc1)[C@@H]1CCCc2ccccc21 1673150799 ZSTQKRDDLRIPNL-HSZRJFAPSA-N 434.609 4.776 30 10 IJEE C#CCN(C)CCCNC(=O)Nc1ccc(Br)cc1Oc1ccc(C)cc1 1673276047 CSRWKLIKKXTXHK-UHFFFAOYSA-N 430.346 4.626 30 10 IJEE CC(C)(CCC#N)CNC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1673340075 HGZVTQXTUBWIJW-UHFFFAOYSA-N 442.604 4.584 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1 1674518929 NNDNPCUAVFSRNJ-HSZRJFAPSA-N 431.561 4.681 30 10 IJEE C#CCN(CC#CC)C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1675437405 DEOZKIDHCSLBIN-XMMPIXPASA-N 433.621 4.639 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(OC)c(Br)c1)c1ccc(F)c(F)c1 1678213549 OZPLDCGJTSACTK-SFHVURJKSA-N 425.273 4.853 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21 1683401868 IBSNKZYZTWXISI-PWRODBHTSA-N 443.389 4.653 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 1686018813 VSJCCDOTFURZHJ-HXUWFJFHSA-N 435.524 4.838 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 1689888620 NRGGZNROPPRRFK-MRXNPFEDSA-N 437.407 4.784 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCCSC 1689918134 RTXMOHHKWWGKHU-UHFFFAOYSA-N 441.826 4.964 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1689934459 XDBHNWAVRIFJIM-GOSISDBHSA-N 425.627 4.747 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC(F)(F)C1 1690040507 DSAWBXLEKZIXRP-INIZCTEOSA-N 447.327 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1sccc1Br 1690209027 HKQVDBKSHGOZJB-LJQANCHMSA-N 447.427 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](CC)C1 1690242655 AVGFXTMWNIXCTA-ZWOKBUDYSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCn2ccnc21 1690256138 FASALMDTOHMXKL-OALUTQOASA-N 438.551 4.734 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CCC2)C1 1690306040 NEJLWBXBOMWPCB-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnn(C)c1C 1690330683 LBVYJYZEIUBBNL-UHFFFAOYSA-N 449.990 4.783 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1690470688 IPZGWDVZVQELSV-ICSRJNTNSA-N 427.980 4.597 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1690470690 IPZGWDVZVQELSV-UYAOXDASSA-N 427.980 4.597 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(F)(F)F 1690573806 DXZOJMYYESNEEI-UHFFFAOYSA-N 438.475 4.779 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690586920 WIFDTADQENQEDT-CTNGQTDRSA-N 439.560 4.873 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1690611493 NZSBLYHRAFBXAO-UHFFFAOYSA-N 443.592 4.610 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCSC(C)(C)C1 1690735919 MOPOWAOQVMWGAP-UHFFFAOYSA-N 440.642 4.586 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C)C1 1690736819 PQWSJDWBEVYAJP-ZDUSSCGKSA-N 427.437 4.925 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2Cc2cccc(C(F)(F)F)n2)C1 1692842589 CURDZCSORSJREZ-OAQYLSRUSA-N 426.446 4.537 30 10 IJEE CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNc1ncc(Cl)cc1Cl 1695190149 BGDBMRHZYSMDKR-UHFFFAOYSA-N 444.370 4.867 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1(C)C 1696192357 GRZUTGVDMFCNEI-MISYRCLQSA-N 443.542 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1705484995 ATMHBKJRAAOXOE-NBOOPKSLSA-N 443.389 4.610 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1705513752 XXGPIIRVNZVDTN-NRFANRHFSA-N 447.627 4.532 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1csc(CC)n1 1705604284 JTCQOJQNDBSCGW-OAHLLOKOSA-N 429.977 4.598 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1705671162 YHTARLRKDVSHEF-NTKDMRAZSA-N 426.008 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOC(C)(C)C 1705677587 UXXZJILVPYILQZ-AREMUKBSSA-N 438.616 4.962 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccc(N(C)C)nc2)CC1 1705777041 VYHPNCDSVOXFKJ-QHCPKHFHSA-N 430.600 4.732 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1705779837 ZHCJJYZLNQBFBP-OAQYLSRUSA-N 432.616 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2F)CC1 1705789947 DNYRYDMSRITHCL-UHFFFAOYSA-N 438.526 4.547 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)C1CC1 1706079225 GVQQOKCEWUEAST-RLLPEYFOSA-N 435.616 4.986 30 10 IJEE C[C@H](NC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1706847972 DVCMKBCJUPVZSV-DFBJGRDBSA-N 431.588 4.533 30 10 IJEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1708824742 BIKYVKGEULPTFX-IBGZPJMESA-N 439.604 4.685 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C1 1710775548 CJEXUKHTPVHJRY-KRWDZBQOSA-N 441.988 4.637 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722288074 VUBVXVNMTSUMQU-QRVBRYPASA-N 428.024 4.813 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)c1ncc(C)s1 1722391887 XUZSWGUTKSGDHL-KNQAVFIVSA-N 431.609 4.852 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1722560751 FGFIWDFHZLIUPK-QFIPXVFZSA-N 445.405 4.805 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722598932 CYIXKGUSLOWFHD-UFYCRDLUSA-N 428.552 4.776 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)C1CCCCC1 1722678146 UIVZBEQHEKHIOQ-QHCPKHFHSA-N 432.996 4.569 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCO[C@@H]2C(=C)C)C1 1722710786 OJUBUCAJEUMVCB-MOUTVQLLSA-N 436.600 4.583 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1722736057 SEGPOFULZFBCIX-UHFFFAOYSA-N 439.482 4.987 30 10 IJEE CN(CC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1729462463 FAJABWKNVRWMLG-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE CS[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1731055601 BNVMSLJNULJDMI-CVDCTZTESA-N 445.608 4.694 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1740591813 WUOTWTKRAMXWEK-WOJBJXKFSA-N 449.382 4.818 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1(CC(C)C)CC1 1740635384 WHWULIBWJCCXJJ-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1CCOCC1 1740725646 OMLKDQUDZFERQL-MHECFPHRSA-N 442.991 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1740732939 VTQZDPXEQLHDII-AGILITTLSA-N 426.992 4.862 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1740807407 ZJSAHVVBWZJZJQ-QZTJIDSGSA-N 430.980 4.977 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1740824031 SQMPWTIZKPTEDQ-SFTDATJTSA-N 429.996 4.632 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1740835436 SCSABIKLDMRFSR-DEOSSOPVSA-N 432.616 4.730 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740928212 YDFMZKDWYGEDDZ-QGZVFWFLSA-N 437.544 4.783 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H]2CSC)cc1 1740967350 DNHXMPZYJVMLDT-HXUWFJFHSA-N 440.638 4.875 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1741874864 CRIBDIKYJWDZEB-HOFKKMOUSA-N 448.659 4.705 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)n1 1742321725 GWPSJOOMROXXFP-PMACEKPBSA-N 449.647 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1748684999 SLFRHRTYXZQRIE-AWRGLXIESA-N 438.616 4.773 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(CC)cc1 1749079897 BYTSVTNABFEGQT-AZSVPQILSA-N 434.628 4.994 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1749198613 OLDYPWAAMGQUDZ-LJQANCHMSA-N 447.967 4.580 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C)C1 1749218717 ULVUDXXLAHCYKM-KRWDZBQOSA-N 442.560 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749358926 DSVOTAJDIFODDL-FQEVSTJZSA-N 425.596 4.999 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749401670 BUEDKGUBZFBUPN-PXDATVDWSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1749406947 QJEICMPBHXEACA-QHCPKHFHSA-N 434.588 4.905 30 10 IJEE C=CCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1749426738 GNRSFQSOMHSSSF-SJLPKXTDSA-N 437.357 4.658 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749749670 OCORHXRTCHQQEB-UXHICEINSA-N 442.629 4.516 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)C1 1750830694 GFPWIWQCVINIHH-TZIWHRDSSA-N 443.039 4.629 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C#N 1752565829 HQXYMXBMLICEOH-XHNVNVPESA-N 441.620 4.548 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760161934 SACZFELDAFGEMQ-DNQXCXABSA-N 449.643 4.999 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCc1ccc(Cl)s1 1760179259 CQCFONOQPXOWKR-UHFFFAOYSA-N 433.002 4.606 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1760236113 JIPZSFZXHUQOCG-DYESRHJHSA-N 444.570 4.836 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)CCC(C)C 1760292268 WCSCZUGZNOMPSF-CLJLJLNGSA-N 431.584 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 1760340055 HYANXIKTLOPNNE-DENIHFKCSA-N 443.611 4.853 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1cnn2ccccc12 1760340780 OAEZARRMTGVYFE-UHFFFAOYSA-N 436.947 4.609 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1760392283 KXEZHDVEGZBYHL-NHCUHLMSSA-N 441.595 4.521 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1760403048 DNJNHNCZMSVIFD-UHFFFAOYSA-N 445.464 4.873 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC(C)C)cc2)CC1 1760403266 LQSRPESQGWWSGX-UHFFFAOYSA-N 437.613 4.872 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1760417284 AOVRWNCERUAIBQ-UNMCSNQZSA-N 437.632 4.893 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C)=C(Br)C1 1760432461 MNRWZMCGWWALAJ-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(CC)noc1C 1760498017 BNPUDRXTJVWVKY-UHFFFAOYSA-N 442.523 4.552 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760506823 OQLMAOHQYBJHCR-DZFGPLHGSA-N 428.552 4.917 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C)C(C)(C)C1 1760566244 PEXNBMDTXSWNSW-PXNSSMCTSA-N 428.602 4.582 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H](C)C#N 1760690547 DIMVVDBHMPGKLZ-QMHWCDLVSA-N 448.571 4.647 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)CCCO2)c1C 1761584407 APESEDLFBUOLMU-NBGIEHNGSA-N 437.588 4.734 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1770548485 HCEXKDCRISGMDU-VMXMFDLUSA-N 439.629 4.743 30 10 IJEE Cc1cc2oc(=O)c(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c(C)c2cc1C 1859741916 HPUQUNXKMPZFSS-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)c1 1860448235 YKMMMJQJFYCPAA-UHFFFAOYSA-N 435.867 4.733 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1ccc(Br)cc1F 1860727977 PUVFPSQJHZYJFY-QHHAFSJGSA-N 445.057 4.711 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCO)cc1 1862384361 XFJPMCAIEHNEJX-LJQANCHMSA-N 448.346 4.862 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2cc[nH]c2c1 1862432737 LUZYKFQHULIBNJ-OAQYLSRUSA-N 438.911 4.826 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 1862494755 PKKTZPYSMVNFRH-QFIPXVFZSA-N 433.504 4.611 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862555376 DJDGWGDWEUEZNL-RUZDIDTESA-N 440.543 4.961 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2cc(-c3ccccc3)[nH]n2)c(Br)c1 1866121672 PWDLKSXAYDUOAE-UHFFFAOYSA-N 446.102 4.726 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@@H](c1ccc(F)c(C)c1)C(C)C 1868710067 CHNWFBLRCFRIGF-IRLDBZIGSA-N 434.621 4.702 30 10 IJEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@H]1CCO 1871396051 KJGCQIKEVBUVAR-HKMXWPIPSA-N 431.891 4.538 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC 1871782737 KWWGMGHTCBLFTO-SFHVURJKSA-N 435.417 4.965 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)c(C)c1 1872096301 GNRXIAFQAPBCMF-QHCPKHFHSA-N 439.581 4.769 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)CCCC 1872533980 PXXZHVQQAFVUJD-HSZRJFAPSA-N 428.598 4.991 30 10 IJEE COc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(C(C)C)C3)n2)cc1C(C)C 1872779243 FJVAYRNUNVXXAZ-APWZRJJASA-N 439.581 4.684 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C 1872782419 JKAOBKFMHMMUNE-SFTDATJTSA-N 429.545 4.652 30 10 IJEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 1872785006 CBWDCVYMNNYSOD-INIZCTEOSA-N 428.897 4.979 30 10 IJEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN(Cc2ccccc2)Cc2ccccc2)nc1C 1872797179 BXQALVNHOYHLTF-NRFANRHFSA-N 447.560 4.507 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203560 WYIRLWNYTHMHSP-UHFFFAOYSA-N 441.531 4.890 30 10 IJEE CC[C@@H](C)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424207 MAGRMUDCDSALGS-QGZVFWFLSA-N 438.531 4.956 30 10 IJEE CCCOc1ccc(/C=N/Nc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1OC 1873526572 MACZKKPXAZOEHQ-WYMPLXKRSA-N 447.322 4.783 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(O)cc1O 1874373372 HCUNNSOFEVTZLJ-VULFUBBASA-N 448.523 4.902 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1cccc(O)c1)Nc1ccccc1 1874405250 OFNNZTZSJRWRCA-PCLIKHOPSA-N 449.580 4.720 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(OCC)cc1 1874411320 NIGOHPAPMSPSLP-LFVJCYFKSA-N 444.601 4.727 30 10 IJEE COc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)c1OC 1874467027 OJVPXNGQNBHXND-LFVJCYFKSA-N 434.521 4.772 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1OC 1874473401 CORUGLWLUSMEJR-PCLIKHOPSA-N 432.549 4.803 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc(OC)c1O 1874519648 DYJRNKOEZSREFN-FOKLQQMPSA-N 444.944 4.706 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)N(CCC)CCC)nnc2C2CC2)cc1 1874520572 KUGITZAQNRUAJO-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CC2)c1 1874523017 UMUMPWOKXYIDHH-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)c1 1874580796 HATGPBCTNUSJMP-ACCUITESSA-N 431.488 4.926 30 10 IJEE O=C(COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1F 1874582033 SJOMLBVOFDRODW-PKNBQFBNSA-N 433.435 4.511 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)c(F)c1 1874585085 LCKZMCFKFLMRTO-QPJJXVBHSA-N 438.268 4.528 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 1874696443 CGUYWDOOHDSTCH-LNKIKWGQSA-N 446.455 4.744 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)cc1 1875152431 MGWOBPZGRIAKFO-WLRTZDKTSA-N 436.435 4.723 30 10 IJEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(NCCCCCCCCCC)ncnc21 1875229310 VBSQEXLPYQRDIJ-UHFFFAOYSA-N 441.620 4.767 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3nc(C(C)C)n4c3CCCC4)ccc21 1890391312 RCEMZRMYSAKMPC-UHFFFAOYSA-N 436.556 4.533 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)cc21 1890725116 WQERWQUCRYGRJL-UHFFFAOYSA-N 448.441 4.704 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CNCC)c1Cl 1914949528 KKHSFDYTXLYXSR-UHFFFAOYSA-N 427.397 4.870 30 10 IJEE N#Cc1ccc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c(F)c1 1951406472 FFEWJOSTATUDHJ-QGZVFWFLSA-N 444.462 4.794 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@H]1C1CC1 2018418043 LWRZETFUJQECRI-MGPUTAFESA-N 447.498 4.858 30 10 IJEE CCN[C@H](CC#CC1CCCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2035456299 HSSUOSNGYLYSKR-RUZDIDTESA-N 441.660 4.965 30 10 IJEE O=C(NC1CC1)c1c(C2CCC2)nn(-c2ccc(C(F)(F)F)c(F)n2)c1C(F)(F)F 2078941362 YWIIJVYUNGVTIY-UHFFFAOYSA-N 436.331 4.604 30 10 IJEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](CC)c2ccc(C(F)(F)F)cc2F)c1N 2079959512 WJXLPZVMAUCHSG-LLVKDONJSA-N 427.320 4.818 30 10 IJEE N#Cc1c(C2CCOCC2)nn(-c2ccc(Cl)cc2Br)c1Br 2080348966 RZTOGCYQUXNUDY-UHFFFAOYSA-N 445.542 4.816 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Nc1cc(Br)c(C#N)cc1F)C2 2193304428 ZYUVDKSDYCDGHX-FKSAFCJBSA-N 442.304 4.750 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(COc3cc(Br)cnc3C#N)CCC[C@H]12 2198820615 SEUYODAJOWSYLB-PXNSSMCTSA-N 436.350 4.664 30 10 IJEE C=C[C@H](C)C[C@@H](NN)c1sc(Br)c(Br)c1Br 2212190507 YLIVMRSWPXKLPJ-NTSWFWBYSA-N 433.007 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@@H](O)C#Cc1ccccc1Br)C2 2235736022 WFMSGVJYAJSIAS-IBGZPJMESA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@H](O)CC#CC2CCCC2)C1 2251518960 HZBLJAZPDSIHGS-BVAGGSTKSA-N 427.585 4.775 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c(F)c1 2268638247 RTQMOLULOVAQJB-GOSISDBHSA-N 446.328 4.623 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2c(Br)cccc2C#N)[C@@H](C(F)(F)F)C1 2285189145 BCTSFKVNAXNJML-GXTWGEPZSA-N 448.283 4.745 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2296217823 YHQOABYPMFYDLR-IEBWSBKVSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@@H]21 2296276608 JWMICAPUYOOPTD-LMCOJAPRSA-N 433.390 4.696 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296301427 UORJBJPRBRHDJF-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CC1(C)OB([C@@H]2CCN(Cc3ccc(Cl)cc3I)C2)OC1(C)C 2303100847 CIQOMWVODOKAAS-CYBMUJFWSA-N 447.553 4.613 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2CCCC[C@@H]21 2306521325 JZQIARSYIRAITP-BPYKYCOYSA-N 428.573 4.698 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 2320915318 PTFHJRLZUGOTOL-UHFFFAOYSA-N 430.892 4.821 30 10 IJEE CCOc1cc(C=NNc2nc(C)c(C)c(O)n2)ccc1OCc1ccccc1Cl 2323240499 YYHPFSZJANKYPR-UHFFFAOYSA-N 426.904 4.876 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(OC)cc1 2325513905 RUENBKQJJJAAQA-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE Cc1cc(OCC(=O)NCc2ccco2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2325565153 ABYMGFMMXUYLSI-UHFFFAOYSA-N 441.842 4.692 30 10 IJEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326467951 DBYAERGZRSWJRP-UHFFFAOYSA-N 431.905 4.585 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccccc1Cl 2326797666 PKASSPZMSXAKDY-UHFFFAOYSA-N 428.945 4.845 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1sccc1C 2329144599 ISVIAHHXZJZCTJ-UHFFFAOYSA-N 449.001 4.820 30 10 IJEE CCOc1ccc(C=Nn2c(Cc3ccc(OC)cc3)nnc2SCC)cc1OCC 2329269906 OEKAYLDZYZZPFR-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Br)cc1 2329323021 QWZAKXHPQHPETG-UHFFFAOYSA-N 431.359 4.752 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 2329844085 FUKYGAPXXOREBY-UHFFFAOYSA-N 432.524 4.931 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)c1 2330777021 BCURLGWITXAALA-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)ccc1O 2330986877 ZTDOKHHXEAYJFK-SFHVURJKSA-N 444.944 4.672 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2O)c1C 2331029856 JPYCRFXRNUNGFD-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(F)cc1)c1ccccc1 2331229906 GFSHTVTWLWYYTD-MRXNPFEDSA-N 449.511 4.529 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2364616436 AGWHPHKOCJIPKT-PKOBYXMFSA-N 439.394 4.805 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](CCc1ccc(OC)cc1Br)NCCC 2364873697 KGEMTODVGDRYRE-MOPGFXCFSA-N 441.410 4.838 30 10 IJEE CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 3042753 KKSHIEWUSLJZKS-QYQHSDTDSA-N 432.524 4.626 30 10 IJEE CC(C)(O)C#Cc1ccc(CN2CCOc3ccc([C@H](O)C4CCCCC4)cc3C2)cc1 12245577 GJZYHVRLDIUFGN-HHHXNRCGSA-N 433.592 4.817 30 10 IJEE O=C1/C(=C\Nc2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 20558956 XOJAOSJVBPACQF-FYJGNVAPSA-N 442.899 4.965 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 20840076 SLHFURLMYRSKKE-UHFFFAOYSA-N 425.263 4.911 30 10 IJEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)cc1Cl 21229924 JAUCVUUQBBZXAS-SJLPKXTDSA-N 425.912 4.752 30 10 IJEE COc1cccc(/C=C2/Oc3cc(OCC(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 33548722 BIAOTEQNRDSUQU-YDZHTSKRSA-N 429.472 4.946 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCC)c1 40096022 MCCSGQMOXMLBRI-WAIKUNEKSA-N 435.520 4.787 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3c(OC)cccc3OC)cc(C)c2C1=O 41290012 JJNXAELCXCOHSK-XKZIYDEJSA-N 446.455 4.856 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc([N+](=O)[O-])c1 59789451 BEQDVIHDLIPDNX-UHFFFAOYSA-N 437.525 4.777 30 10 IJEE N#Cc1cccc(Cn2c(=O)[nH]c3scc(-c4ccc(Cl)c(Cl)c4)c3c2=O)c1 96536009 NMJCDYUGWZHDEF-UHFFFAOYSA-N 428.300 4.645 30 10 IJEE CCCOc1cccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 102536342 RMMWGMZWMUHDJD-FEYWKWKCSA-N 446.478 4.631 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)s1 169960348 IMVCKAUGTVQIOA-FQEVSTJZSA-N 434.517 4.865 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(OC(C)C)cc2)cc1 169977875 JEXQHRBLWRRMBC-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 169988340 ZQPWLPVJJMOQKE-IBGZPJMESA-N 441.411 4.538 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)cc1 170009044 GYAVAGVDBSXBIH-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc3ccccc23)cc1C 170046437 WHQHENXWARFQEG-DEOSSOPVSA-N 428.532 4.597 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2sccc2C)c1 170105123 BIXXBBBTULHMLL-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(C)c2)c1 170144906 WAZCJVXAPGZSBE-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(C)c1 170145463 DTMIGYFJIALJDR-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccs2)ccc1OC(C)C 170155117 AKJKMBPQEAWTHQ-NRFANRHFSA-N 443.565 4.847 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)c1 170170434 GMGLQOJUOMQDBW-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)cc1Cl 170183125 JLYSKESPXGQLSI-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)c1 170218720 HPCBGKROKPVQFK-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1C 170225180 CCHKMZYQFOWRLX-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1C(C)C 170229976 JOKCIKANFFDINX-XXBNENTESA-N 435.520 4.576 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170285171 VMFODDIWXHQTLH-JOCHJYFZSA-N 428.444 4.943 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)c(OC)c1 170305462 ZYBRASIBJLOMBA-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 170365523 OBJQYLZYECBQNT-NRFANRHFSA-N 434.879 4.917 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(OC(C)C)cc2)c1 170474038 VVSFWUZBIFYKIU-QFIPXVFZSA-N 437.536 4.993 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@@H]1c1ccncc1 170483078 PHLBDPUGAORKKI-GOSISDBHSA-N 445.903 4.999 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3cc(-c4ccccc4)ncn3)nc12 170547643 CJOUJFNODQCFRJ-UHFFFAOYSA-N 433.475 4.810 30 10 IJEE Cc1nc(COc2ccc(/C=C\C(=O)Nc3ncccc3OCCCC#N)cc2)cs1 209646924 UVCCUASYJNDULM-FLIBITNWSA-N 434.521 4.760 30 10 IJEE C=CCn1c(SCCCCOC(=O)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 253570403 NNTLHWJUSFOLOF-UHFFFAOYSA-N 438.509 4.769 30 10 IJEE C#CCOc1ccccc1CNc1ccc(I)c(Br)c1 383536652 OFDAUNKSFWHRKM-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C 442243539 VRPJHVQUQUTWJA-QHCPKHFHSA-N 433.512 4.547 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1c1cccc(F)c1 460559369 MEPCGIAPSWPVKV-ZHRRBRCNSA-N 444.514 4.897 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1noc(-c2cccs2)n1 489633295 BICXYDASXYOZJP-UHFFFAOYSA-N 425.539 4.755 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 504288004 BPJVGFRUTNHYGP-UHFFFAOYSA-N 436.533 4.867 30 10 IJEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 526606721 NUJDTIVAIJGGJQ-NRFANRHFSA-N 447.834 4.883 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(OC(C)C)c1 526824927 ASQYCMDVWDXGJL-CFRMEGHHSA-N 428.533 4.950 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 549278145 RVFWTBADASYQEO-UHFFFAOYSA-N 447.583 4.933 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 555255069 ARSGRNFJPBLCFP-HXUWFJFHSA-N 444.482 4.910 30 10 IJEE N#Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)c1 586055661 WTLCQPPBVBOAOG-VWLOTQADSA-N 437.543 4.501 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 689648689 XSPNDXHXAIAOTC-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE COc1ccc(OCc2ccc(Br)cc2C#N)cc1I 712858083 VKGXPVPGWBPPGH-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE C#CCN(C[C@H](Cc1cccc(Cl)c1Br)NCCC)C(=O)OC(C)(C)C 719443469 ODSVBVLCHSQBCE-INIZCTEOSA-N 443.813 4.884 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCC 721930466 WKLCMBAETVDWRB-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 733201933 MXFSLNJFIYHWQN-JOCHJYFZSA-N 445.519 4.963 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCc2ncc(C3CC3)o2)c1 760462291 QHJBLHZVQKAZPW-UHFFFAOYSA-N 433.489 4.511 30 10 IJEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787055306 ZYQZPNJZYIDRLJ-KEHCJCSDSA-N 446.290 4.891 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1 788826563 KEVPUHFQCZBVTQ-UHFFFAOYSA-N 428.323 4.624 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(O)(c2ccccc2)CC1 802553018 WLBMEYDUKJIQDN-UHFFFAOYSA-N 427.552 4.501 30 10 IJEE CC/N=C1/S/C(=C/c2cc(OC)c(O[C@H](C)CC)cc2Br)C(=O)N1CC 1084397812 SPCNTZMSMDHTPL-BNAVDSLKSA-N 441.391 4.947 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@]3(O)CCC[C@H](C(F)(F)F)C3)c2)s1 1116702194 ASRJPLSEDJSUSM-OXJNMPFZSA-N 437.487 4.570 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1124924154 REFAATMJANHZLW-NRFANRHFSA-N 437.378 4.753 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(c3ccc(CC)cc3)CC2)s1 1126617229 CYLGLMCJBVKQBZ-UHFFFAOYSA-N 436.046 4.750 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2cnccc2-c2cccc(F)c2)cc1Br 1126808403 CVLDFQQVQNZTKF-UHFFFAOYSA-N 426.245 4.539 30 10 IJEE C[C@@H](COCC1CCCCC1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1134124345 AJHGMCXIQPNVLT-SFHVURJKSA-N 432.008 4.920 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 1136606800 RBNHGJGMSDGXHF-GOSISDBHSA-N 430.936 4.724 30 10 IJEE CCCN(CC1CCCCC1)C(=O)COc1c(Br)cc(C#N)cc1OCC 1142094494 DWBTWUDYBWEMJO-UHFFFAOYSA-N 437.378 4.917 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccccc3N(C)C3CCCC3)ccc2c1=O 1150735156 VMWRXIKLCVSHQB-UHFFFAOYSA-N 434.565 4.502 30 10 IJEE C=CCC[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1 1151867367 NCOZVQGTOGJRTO-SFHVURJKSA-N 429.442 4.740 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1158164781 KHLGCPUFNULCHT-SFHVURJKSA-N 436.936 4.851 30 10 IJEE N#Cc1ccsc1NC(=O)CN1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 1170938322 GDXPZXJEEWVGCL-QHCPKHFHSA-N 436.625 4.715 30 10 IJEE N#CCSc1ccccc1C(=O)N1CCC(OCc2ccc(Br)cc2)CC1 1181310975 AEVWWHDAICEEHY-UHFFFAOYSA-N 445.382 4.886 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C 1182509125 SUYATOAQZQFIQH-SFHVURJKSA-N 432.992 4.964 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CCN([C@@H](C)c4ccc(Cl)cc4)CC3)c2c1 1185517910 HTOFAWBUUPBJTD-INIZCTEOSA-N 436.943 4.660 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCC)c1ccc(F)c(F)c1 1189411614 IRGJYARKLBOERJ-GOSISDBHSA-N 446.313 4.722 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@]2(CCc3ccccc32)C1 1206194424 JWFSFJIGFUICRL-JOCHJYFZSA-N 443.341 4.720 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C(C)C 1211223081 QAYDKDPIKSJGGL-LEWJYISDSA-N 440.415 4.775 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1212140957 YVZNOQZCNZWKNC-MRXNPFEDSA-N 448.304 4.934 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC 1231194434 QUCGVPPQGIGNHI-JKSUJKDBSA-N 427.998 4.887 30 10 IJEE C=CCCC[C@@H](NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)c1ccccc1 1246652393 JGRFOCKMGQUJQJ-UXHICEINSA-N 432.973 4.907 30 10 IJEE COc1cccc(CN(CCN(C)C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 1269136827 DUFSKRLPAXCURO-UHFFFAOYSA-N 429.520 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N(CC)CC 1286283359 RLENLWZPUFDIIV-JXFKEZNVSA-N 443.954 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCSCC(F)(F)F 1286304938 JWSOSEOWEUZQAR-HNNXBMFYSA-N 428.549 4.632 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1286342679 RNEYSNUNQGUDOZ-NBGIEHNGSA-N 440.588 4.626 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OCCC(C)C)CC1 1286348527 YLPJQTRKHDXNMZ-UHFFFAOYSA-N 446.599 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1286444346 WBNLOJJQJGUNRI-FNZWTVRRSA-N 446.599 4.570 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](OCC)C1CCCC1 1286451794 BFOXNQMNYOHPRO-YPAWHYETSA-N 430.637 4.642 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)Cc1cc(C)cs1 1286512653 XMLQGCOVBVMHJA-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@](C)(O)c1ccsc1 1286568297 SJAMFCYFFRVDHM-UZUQRXQVSA-N 444.576 4.929 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1286643346 GGUNMKZPKLGZJD-UXHICEINSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1286652110 SFNYFRSWKSUSQO-KRWDZBQOSA-N 427.559 4.858 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2scnc2C)CC1 1286657170 UYBRNBFUZNTDNH-KRWDZBQOSA-N 441.576 4.967 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286688921 GTOOJTASJNZXKB-CYFREDJKSA-N 445.007 4.653 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](CC)C1 1286709161 XZQABNQBQHOCOE-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC1CCCCCC1)C1CC1 1286734776 HLQMPNVVLQXJEB-UHFFFAOYSA-N 425.533 4.748 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCCC1 1286752646 CJAYMOXFTJROEI-UHFFFAOYSA-N 431.378 4.845 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cccs2)C1 1286804450 NLROEOSYVMVJGR-QGZVFWFLSA-N 445.386 4.599 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccon1 1286826285 CTEIQNNQCXIMOT-UHFFFAOYSA-N 448.390 4.560 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1286834578 IWGGAVLMXMNJOT-QFIPXVFZSA-N 426.630 4.978 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cc(F)ccc1O)c1ccc2c(c1)OCCO2 1293124569 AMWMWDZJNGWVAX-UHFFFAOYSA-N 449.478 4.643 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccc(C(C)C)cc2)CC1 1296045909 RXWLICCABCHQEG-QHCPKHFHSA-N 426.601 4.898 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2sccc2C1 1300353540 WBHVBLWSZIPZIB-UHFFFAOYSA-N 436.581 4.780 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(N(CC)CC)CC1 1300386991 XPYDGNFVFMBWLA-UHFFFAOYSA-N 430.600 4.526 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCOC1CCCCCC1 1300604349 HASSWQMLZPJHFS-UHFFFAOYSA-N 432.515 4.745 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1301057268 SUFZYFYJXXTNDQ-HSZRJFAPSA-N 428.964 4.945 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1301114265 MRQYFWDMRBETOF-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301154296 ONPHKCRTXVWDPH-QFIPXVFZSA-N 435.547 4.583 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(CC)C1 1301238902 HGKJUWFLGOZGLW-NRFANRHFSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1301341555 SPIVKIJUDSJFGQ-RLWLMLJZSA-N 434.632 4.976 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC=CO1 1301374552 BEDWAHFLGSKADH-QGZVFWFLSA-N 445.361 4.587 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cccc(Cl)c1 1301403435 ZFMORXUUICXUIC-XMMPIXPASA-N 442.991 4.965 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](c1cccs1)N1CCCC1 1304524383 HJSYFCDDSWSCCM-NQIIRXRSSA-N 434.613 4.748 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)N(C)c2ccc(C)cc2)nnc1-c1ccc(OC)cc1 1307251439 ABDDEVBTCOXBIF-NRFANRHFSA-N 436.581 4.982 30 10 IJEE C=CCn1c(S[C@H]2CCCN(C(C)C)C2=O)nc2sc(-c3ccccc3)cc2c1=O 1307284603 WBRACKMIFBGMJJ-SFHVURJKSA-N 439.606 4.803 30 10 IJEE N#Cc1ccc(C2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)CC2)cc1 1309904220 GZPASZUMVCSCPQ-UHFFFAOYSA-N 444.984 4.959 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(Br)cc1 1310145519 DUTGMDAXAAIQHO-FQEVSTJZSA-N 440.341 4.618 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1310462190 AEFXPGSRJDPRHO-AWEZNQCLSA-N 428.464 4.785 30 10 IJEE C=CCC1(CNC(=O)N[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CCCC1 1312366848 NVJHNZAOBZUFFA-PZJWPPBQSA-N 435.971 4.965 30 10 IJEE C=CCCOCCNC(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 1312418279 HHZOOWLKTAYGIG-UHFFFAOYSA-N 439.625 4.879 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C)c1ccc(F)c(F)c1 1312536731 QRJRXFQWBBTTEQ-WOJBJXKFSA-N 437.531 4.869 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nc(C(C)C)cs1 1315603469 FNCWCFGJSZWMAD-HSZRJFAPSA-N 436.585 4.712 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@H]1CC(C)(C)CO1)c1ccc2c(c1)OCCO2 1348530259 MFYNHRWLIWSXEW-NRFANRHFSA-N 437.536 4.761 30 10 IJEE C[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1351390985 VXPKWYACMLOMEW-RHSMWYFYSA-N 438.366 4.604 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 1352622380 DNBJEFAYHGUNBE-UHFFFAOYSA-N 447.000 4.733 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)c1ccc(Br)cc1 1356183213 WUXBCPXPLYFQTH-ZDUSSCGKSA-N 433.298 4.682 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1357481039 JINACDKDZXITMJ-QKKBWIMNSA-N 425.356 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCC(F)(F)C1 1358884811 XLLGXCHDBYWQPA-OALUTQOASA-N 438.526 4.804 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 1358918162 MNTCUOKISHTQDW-AABGKKOBSA-N 429.609 4.778 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1CC 1358988113 CUMKJJALWMDLLQ-XMMPIXPASA-N 431.628 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCN1CCCC[C@H]1C 1359072378 AIQMQCOVWKHZML-YIXXDRMTSA-N 433.644 4.710 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](CCOC)C1 1359118804 DVBNLGULGOFNJK-AWEZNQCLSA-N 439.785 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1359162033 AJBAGYFYQKAJLR-JOCHJYFZSA-N 437.632 4.868 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1359181198 JKLATWHJLUDJDO-YADHBBJMSA-N 437.632 4.688 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCc2c[nH]nc2C)CC1 1359181616 ZPCXKHUFAMUKNT-UHFFFAOYSA-N 434.588 4.541 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)[C@@H](C)C1CCC1 1359214107 RPNYLZQCYDPHCW-SFHVURJKSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1359218568 NKEDFYOEPLEOTJ-UHFFFAOYSA-N 445.633 4.780 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@H](CC)NC(=O)OC(C)(C)C)C1CC1 1359249106 OMXMMAIINNQMQH-INIZCTEOSA-N 429.540 4.542 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1CC(C)(C)C(F)(F)F 1359277769 VRMXNLNXSIJUDF-UHFFFAOYSA-N 433.478 4.681 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1359285092 FIOYWNBOJKNQJU-QZTJIDSGSA-N 445.405 4.845 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C)[C@@H](C)C1 1359293208 KGKXOZSKWCYIQV-CABCVRRESA-N 444.004 4.598 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC2CCOCC2)C1 1359314466 BIOXZKHVLNAUAR-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccccc2SCC(=O)Nc2cccc(OC)c2)c1 1360098538 ABLBPLWXJDPWNN-UHFFFAOYSA-N 447.512 4.657 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(COCCOCC)c2C)CCCN1C(=O)OC(C)(C)C 1435287878 UCFVWLGIFQOAPB-VWLOTQADSA-N 446.588 4.832 30 10 IJEE CC(C)(C(=O)OCc1cn(-c2cccc(Cl)c2Cl)nn1)c1cc(F)cc(C#N)c1 1435797879 DOKVHYDROVUADM-UHFFFAOYSA-N 433.270 4.606 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 1447360954 LTOUWNBNXKOMEB-XZOQPEGZSA-N 438.568 4.753 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 1448353119 NAEFHIWKWHJSJL-OAHLLOKOSA-N 434.430 4.955 30 10 IJEE COc1cccc([C@@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CCN2)c1 1454467451 GRVLBZCISIMEIB-DEOSSOPVSA-N 443.572 4.646 30 10 IJEE CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1457512608 HFXIUDYAYGRYLG-MRXNPFEDSA-N 434.342 4.968 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(N3N=C(Cc4ccccc4)CC3=O)cc2)cc1 1457809151 ISVFITUUMQNEOZ-UHFFFAOYSA-N 439.515 4.517 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(C)OCCc3ccccc32)cc1OCC 1461708733 RTLRBXKSXZSONU-HSZRJFAPSA-N 446.385 4.990 30 10 IJEE CCCN(C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC)[C@H]1C[C@@H](OCC)C12CCCC2 1466880598 HGCKBAKGWOXFCO-RBUKOAKNSA-N 444.576 4.538 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(Br)cc1 1470267355 JCXREZGPJDOCNP-KUHUBIRLSA-N 441.304 4.509 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)cc1 1470996391 NLMDDTWWAUXRBF-UHFFFAOYSA-N 438.524 4.562 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CCC(C)(C)CO1)[C@H]1CCOc2ccc(Br)cc21 1471466209 JGKDJUYHIJZAHZ-HKUYNNGSSA-N 449.389 4.513 30 10 IJEE CCc1nnc(N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)c(C#N)c1CC 1472684028 AQWWDXBTFNAUPZ-UHFFFAOYSA-N 440.551 4.988 30 10 IJEE C=CCn1c(SCC[C@](C#N)(C(C)=O)c2ccccc2)nnc1-c1ccc(OC)cc1 1472921143 KGGWTTODMYJEDY-DEOSSOPVSA-N 432.549 4.672 30 10 IJEE CCCCn1c(S[C@H]2CC[C@H](C#N)C2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 1472937945 FNCGYBGALWGVBZ-IRXDYDNUSA-N 434.631 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(OC(C)(C)C)nc1 1507525542 CDWHQPOZFNUJQC-OAHLLOKOSA-N 441.938 4.816 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)CC1 1507575787 WEIPNORHJWLEMX-UHFFFAOYSA-N 446.064 4.805 30 10 IJEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1507595155 NBNKXLMXACILKU-GOSISDBHSA-N 439.560 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1507761215 DVHCZPLRMNJYFF-CJFMBICVSA-N 440.035 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](OC)c1ccc(Cl)cc1 1507765504 RBTAWIPQHHSQCH-XUZZJYLKSA-N 435.959 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1507808139 XUGKVYADEIJMFM-MYJYVVNQSA-N 429.008 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1507811314 PQCQLZMKBMTRCR-VFSLUADLSA-N 430.593 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1507813850 BYUFWSZGHDTLMZ-GOSISDBHSA-N 435.572 4.826 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1507848080 MTVPZAQXCRCDFX-WOJBJXKFSA-N 428.552 4.605 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1507896175 AHROQUSYYRWXAJ-UHFFFAOYSA-N 447.461 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C)C1 1507913053 VFVDFRFMKLXTSG-QGZVFWFLSA-N 428.577 4.810 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1507956141 CTOUJMRZZKWUGV-UHFFFAOYSA-N 436.025 4.541 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCc1cccs1 1507998028 BBEJTLUDQXRECQ-UHFFFAOYSA-N 440.576 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C)c1ccccc1 1508006569 IBZWRZRFQDBEIE-GHTZIAJQSA-N 435.597 4.677 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Cn2cc(Br)cn2)s1 1518640303 DMLSEWAVUYNLNG-UHFFFAOYSA-N 445.342 4.667 30 10 IJEE Cc1c(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)sc2ccc(C#N)cc12 1521791358 DRHWUAICWNZQKU-OAHLLOKOSA-N 445.466 4.989 30 10 IJEE Cc1cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c(C#N)cc1N(C)C 1524356045 GUXMGMGTQALFKW-UHFFFAOYSA-N 440.547 4.577 30 10 IJEE COc1cc(CNC(=O)c2ccc(Br)cc2C#N)ccc1OCCC(C)C 1526986932 BIGPOBSSBRMSRA-UHFFFAOYSA-N 431.330 4.684 30 10 IJEE C[C@]1(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN(Cc2ccccc2)C1 1530953093 BOGYCICIZBKDSH-MHZLTWQESA-N 425.532 4.532 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)C1 1533762867 KCPOWUKJBOGMSE-LJQANCHMSA-N 448.592 4.768 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccc(Cl)cc1F 1535504422 DRSPNEFPQVYICA-VOJFVSQTSA-N 439.701 4.630 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cc3cc(Br)cc(Br)c3o2)CC1 1536951561 ZESOUWQNQNQKKO-MJHDQNEOSA-N 425.120 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1nccnc1C 1538985533 ASXNMNPORXFMFM-INIZCTEOSA-N 446.555 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(F)(F)F)c1 1539035292 OOECNUPZPWWRHQ-ATZDWAIDSA-N 434.506 4.722 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1539110758 GKUZHPQHHWVTOM-UHFFFAOYSA-N 443.979 4.505 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1CCCCC1 1539245780 DYYJTGIILUXULC-UHFFFAOYSA-N 431.628 4.580 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCOC1 1539305774 ONSBGBQYWPMLCI-LJQANCHMSA-N 448.567 4.702 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1539685965 AWBJZJJNUOSWDO-ZWKOTPCHSA-N 433.394 4.924 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=C(COC)CC1 1539817666 SNNNGCFWDOYHEP-UHFFFAOYSA-N 430.980 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1539907317 ZMMKLSWGTIPVSO-LJQANCHMSA-N 444.645 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(c2ccc(O)cc2)CC1 1539924313 SGTWBVCYJBHUFV-UHFFFAOYSA-N 431.584 4.956 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCC[C@H]1C 1539945309 NBKLWSRWNJPKOP-RZTXVSJASA-N 440.588 4.524 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1539960955 KVPYKMSMNAFDGL-QHCPKHFHSA-N 430.600 4.716 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1539961321 UNEXGWJCMKYDBW-UHFFFAOYSA-N 426.609 4.599 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539967008 CHOHOEYAJXSDAK-IBGZPJMESA-N 443.586 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1C[C@H]1CCOC[C@H]1OC 1540140904 WIECNACTBLVAKH-DENIHFKCSA-N 438.597 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCCC1 1540153736 KBTCRTASMOMNQG-IBGZPJMESA-N 425.646 4.796 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CCc2cccs2)cc1 1540877922 JKVUXLPJKDVBFV-HXUWFJFHSA-N 438.597 4.526 30 10 IJEE CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1544401059 ICNIZVKRFJYDIY-JWQCQUIFSA-N 432.564 4.735 30 10 IJEE C=CCOc1cccnc1C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 1544934138 XXWLEXUKDNLBSL-INIZCTEOSA-N 441.503 4.572 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1cccc(OC)c1 1559381528 WQWUZZWIYYZVLA-FQEVSTJZSA-N 438.528 4.567 30 10 IJEE Cc1ccc2cccnc2c1S(=O)(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1561156884 FRFYUMFQOBRAIH-UHFFFAOYSA-N 445.519 4.945 30 10 IJEE C#CC1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 1563428943 DKFYKQVCVBFGSD-NRFANRHFSA-N 428.001 4.556 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1564441874 YIKQYUNWBHAGDH-AZUAARDMSA-N 440.437 4.591 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(Br)cc1 1564999130 GXBHDCCKVZMBEY-OAQYLSRUSA-N 445.332 4.653 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OC2CCOCC2)cc1 1583505357 BBVQFOIWKSSJFX-UHFFFAOYSA-N 432.314 4.824 30 10 IJEE C#C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)c1ccc(Br)cc1 1584707675 CTMFAGKRKVDQSH-CQSZACIVSA-N 434.746 4.669 30 10 IJEE Cc1cc(Br)c(C(=O)Nc2ccc(Br)c(C#N)n2)cc1Cl 1585749549 CEMWJCSTNDJLRK-UHFFFAOYSA-N 429.499 4.692 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN(C)C1CCCCC1 1587567114 BNEUOEDEGDTFDR-QFIPXVFZSA-N 433.644 4.861 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1sc(C)nc1C 1588015610 ARRORWQUPAVSLS-UHFFFAOYSA-N 437.613 4.540 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCSC1(C)C 1588099196 JETWATOWXLLLEV-PKOBYXMFSA-N 438.666 4.736 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCC1(F)F 1588481133 GFJQXRUNSGDHMW-FQEVSTJZSA-N 439.485 4.945 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N(C)CCc1cccs1 1589420964 AQFUHPGCMVSHDV-UHFFFAOYSA-N 435.366 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccoc1 1589568802 MRRJMSOFCVFBLS-URXFXBBRSA-N 436.556 4.685 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](OCC)C1 1593841362 XYFMOBKXZOSRJR-MRXNPFEDSA-N 439.785 4.774 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC[C@H](O)C2)CC1 1594035419 IQADGGIJLSZNGR-RDJZCZTQSA-N 449.368 4.554 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1594431108 WORPABSMQYJIEJ-PMACEKPBSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(COC)CC1 1594456122 YOUXFSFBHVBBEV-GOSISDBHSA-N 428.552 4.942 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1594767684 XMKYPGSODMQZHE-UHFFFAOYSA-N 436.629 4.963 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CCC)C1 1594793359 KUYPOWWUNUKENW-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC1(OC)CCCCC1)C1CC1 1595026142 DHVHALDPTPWUIY-UHFFFAOYSA-N 448.409 4.550 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CC(=O)N(C)C1CCCCC1 1595127053 DAZRXYNKPICTFC-LJQANCHMSA-N 441.595 4.914 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C(C)C 1595170780 JNSNYASHFOBWDQ-GJZUVCINSA-N 443.680 4.886 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1C[C@](C)(O)c1ccco1 1595251528 UGZGSWVDOZVHOS-VWLOTQADSA-N 432.524 4.582 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cc(Cl)ccn1 1595350876 ZOCJWHRBMQYXDP-UHFFFAOYSA-N 436.716 4.718 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)s2)C1 1595674103 MOMLGRCGYMYHLI-YLJYHZDGSA-N 442.560 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)SC)C1 1595674476 QDRYQAAIZKNGEN-JTDSTZFVSA-N 437.009 4.604 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCSCc2ccc(C)cc2)C1 1595723273 UGPSEYGWCKRSEK-QFIPXVFZSA-N 426.630 4.959 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1595859850 BKBHFPXKSOZMMJ-RTWAWAEBSA-N 426.630 4.957 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1CCC[C@H](C)C1 1596839988 AOXITKZUOJDKCK-FCHUYYIVSA-N 436.648 4.560 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 1611015932 CTLFHAXNEBXHPK-QZTJIDSGSA-N 426.479 4.825 30 10 IJEE CN(CC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C(C)(C)C)n1 1617832924 HCNWYOKMEAAZFL-UHFFFAOYSA-N 448.518 4.812 30 10 IJEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(-c2ccc(C(C)C)cc2)nn1-c1ccccc1 1617980756 OVDLNCANICCPTD-VWNXMTODSA-N 430.552 4.534 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)ccc1OC)c1ccc(Br)cc1 1622936896 HNUBIFKXCKQMBU-CQSZACIVSA-N 438.119 4.716 30 10 IJEE COCCN(Cc1ccc(C)c(C)c1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1623284855 APZAGDHQOAVNFV-UHFFFAOYSA-N 437.931 4.695 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)CCCN1C(=O)OC(C)(C)C 1627271829 ILHZTZUJJPYMQP-QHCPKHFHSA-N 444.553 4.972 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(C(F)(F)F)cc1 1632892377 DLLUCVOZKDECIO-MJGOQNOKSA-N 436.453 4.825 30 10 IJEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3(c4ccccc4Cl)CCCCC3)C2)nc1 1633823352 CLKMZZBRMLDSPM-LJQANCHMSA-N 438.959 4.671 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCC[C@H](c4cccc(Cl)c4)C3)CC2)c1C#N 1636107490 HZSXMQSEKCTWAP-PKOBYXMFSA-N 444.004 4.535 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 1636816898 KYTRQLZOVIYKCP-MSOLQXFVSA-N 426.479 4.825 30 10 IJEE C#CCONC(=O)CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 1641276466 QVWPIZJEFMSTBZ-UHFFFAOYSA-N 446.547 4.547 30 10 IJEE C#C[C@@H](Nc1ncnc(CC(C)C)c1I)c1ccc(Cl)cc1F 1642677812 VGHBATVFMDEEOW-CQSZACIVSA-N 443.691 4.859 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CCC[C@@H]3c3ccc(Br)cn3)c2c1 1642765804 CDBACAKOXMMWJA-GOSISDBHSA-N 439.313 4.623 30 10 IJEE C=CCn1ncc2ccc(NCc3cc(Br)cc(Br)c3N)cc21 1651628285 HOHTVUYLNLLYDC-UHFFFAOYSA-N 436.151 4.942 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 1652167358 QFBUSOKUSGIEEC-GOSISDBHSA-N 435.530 4.641 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNc1cc(Br)c(C#N)cc1F 1652215100 ZQYHGGFQXYKBHF-CHWSQXEVSA-N 426.330 4.765 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2F)C(C)=O)nc2cc(Cl)ccc2c1=O 1652366057 WOIDZDVXLHGBLB-LJQANCHMSA-N 434.895 4.807 30 10 IJEE COc1ccc([C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 1652790797 CUPGKGZLVSYRML-JWQCQUIFSA-N 429.495 4.581 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2cc(Cl)ccc2Cl)CC1 1654120826 BVNRYEZBVXJREB-ZDUSSCGKSA-N 437.758 4.668 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC(CC)CC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1655970446 VBFPYCAZODWZMT-KBPBESRZSA-N 433.643 4.554 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(N(C)C(C)C)c(F)c2)nnc1-c1ccco1 1656183565 MITONYYKJGLCPC-UHFFFAOYSA-N 443.548 4.829 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 1665141164 NRKJSODZSHGGIO-UDSSINMLSA-N 445.629 4.658 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)c1 1667047495 VLLIKCJCLNRBLY-UHFFFAOYSA-N 441.936 4.734 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 1667558543 GGFXQMRWVXZCAE-FQEVSTJZSA-N 429.923 4.667 30 10 IJEE CN1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H]1Cc1ccccc1 1669013311 DPSBOUCGQATDCR-HSZRJFAPSA-N 426.520 4.741 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 1669466426 WGUZDOYDDPIEKK-MRXNPFEDSA-N 427.854 4.619 30 10 IJEE C=CCC[C@@H](NC(=O)N(CCO)Cc1ccccc1OC)c1ccc(C(F)(F)F)cc1 1670827048 SGQRDSLEOBNWCW-HXUWFJFHSA-N 436.474 4.925 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(c2ccc(OC)cn2)CC1 1670844874 FMYGNEFBLZMJPS-UHFFFAOYSA-N 446.345 4.829 30 10 IJEE C=CCCCNC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 1682055616 YZQBYIQSBWSZAX-GOSISDBHSA-N 427.408 4.701 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCc1ccccc1F 1689838231 VXKXKIGZHKXDAL-AWEZNQCLSA-N 447.377 4.999 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1689939834 DXUQNMQZNHOOPY-LJQANCHMSA-N 436.581 4.552 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1cccs1 1690039397 DPRRFIKOMZYHOR-UHFFFAOYSA-N 448.592 4.508 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1CSC 1690157763 ORWSRSUHCHFVHT-PMACEKPBSA-N 444.670 4.733 30 10 IJEE C#CCSCCn1c(N[C@@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1cccnc1 1690186823 VBUFIXFEJISSLR-OXJNMPFZSA-N 441.988 4.548 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1690235549 AWTGQXBOQDKEFW-DYQZNNLLSA-N 443.661 4.718 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690456952 OADTXGFRIZLROG-FQEVSTJZSA-N 425.577 4.795 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1Cc1nc(C)c(C)s1 1690609311 KNPKPSRIAQTSIB-UHFFFAOYSA-N 439.610 4.880 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1Cc1sccc1Br 1691008086 DSEFYAQGBMXKST-HNNXBMFYSA-N 444.402 4.531 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705593388 AHZWPBWPQIIIEN-UGKGYDQZSA-N 439.003 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@@](=O)CC 1705669696 TVJWCBTWIYRTHR-PBBNMVCDSA-N 447.029 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H](OC)C(CC)CC 1705669943 BVOPYKWDDPFKTM-ZJSXRUAMSA-N 439.560 4.687 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705803556 UQWYEGUAWDTJLY-NRFANRHFSA-N 428.577 4.570 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1705851039 RXXZXTJOLZOWST-FQEVSTJZSA-N 437.588 4.808 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC[C@H]1CC)C1CC1 1705854414 TVDZHOWFJIMSMI-OAQYLSRUSA-N 428.024 4.942 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CC(C)(C)N1CCC(OC)CC1 1705863620 ZHGMYRMBYVRVRW-UHFFFAOYSA-N 443.611 4.623 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CC(=O)N(C)C1CCCCC1 1705865315 IWDFSSRBMNVHFN-UHFFFAOYSA-N 449.624 4.990 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1cc(F)cc(F)c1 1705866637 VUPWQKXHMQYREG-KRWDZBQOSA-N 430.524 4.557 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705880953 VXYPRFGTHVLAEF-IRLDBZIGSA-N 448.615 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2[C@@H]2C[C@H]2CCC)C1 1705919955 NKHTXUPOFFUSLX-QLFBSQMISA-N 437.407 4.912 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCOC1 1705942247 LOAHBEXDBHSWIR-IAGOWNOFSA-N 432.659 4.523 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccsc1 1705947350 IPUFHUDJQNPTFP-GOSISDBHSA-N 431.656 4.956 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)OC 1708361500 CQKCSJGUWIVHQS-RNHNHXFSSA-N 446.599 4.993 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722310576 LTZPYXMCQGTWEW-PKTZIBPZSA-N 446.599 4.779 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722311909 NTHLOSCONIYPCD-FQEVSTJZSA-N 440.588 4.550 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1oc(CC)nc1C 1722346574 YTPZTLVSTHZJCI-QGZVFWFLSA-N 441.963 4.665 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)[C@H](C)CC 1722348088 QVJBLCYGAZBJES-QGZVFWFLSA-N 425.577 4.612 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1722486497 XTPBXIIMQROZHM-VFNWGFHPSA-N 447.377 4.640 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1722521663 XQLNKCZUCCRWOB-PZJWPPBQSA-N 439.604 4.959 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](CCC)C1 1722547027 HRYTYFXFLQREBS-CQSZACIVSA-N 443.748 4.605 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCOCC2)CC1 1722571776 HKEUDKWGAPJJSF-UHFFFAOYSA-N 428.602 4.552 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccc(C)o1 1722626109 JBEVWJBDFOVFBS-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@@H](C)C1 1722643592 STBRASKOUGGJEJ-HXUWFJFHSA-N 425.621 4.509 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(OC(F)F)c1)C1CC1 1722646051 GDNJYXXOGFOGEB-UHFFFAOYSA-N 431.874 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC=C 1722655853 LFXNLRFHXWXMRX-NRFANRHFSA-N 448.571 4.600 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H]1C)C(C)C 1722664757 HBMFXQOPAPLADP-ZFGGDYGUSA-N 432.616 4.750 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2cccc(F)c2)C1 1722718927 VWZCWUOYMBGPSR-FQEVSTJZSA-N 441.938 4.547 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(c3ccc(F)cc3F)CC2)C1 1722719467 UTWYYHBKUOMMRC-GOSISDBHSA-N 430.543 4.658 30 10 IJEE CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1)N1CCCC1 1727240717 DOAFTUIVLPUQOU-OAQYLSRUSA-N 426.996 4.603 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCOCC2(CCC2)C1 1740567027 FUJDPQSELAHLFL-UHFFFAOYSA-N 443.389 4.518 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@@H]1OC 1740648578 MQQAYWFUBSNXEK-UZLBHIALSA-N 431.367 4.530 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2CCCCC2)CC1 1740693327 YCLZLUSAOKGFMX-UHFFFAOYSA-N 449.643 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1cccc(C(F)(F)F)n1 1740726595 GCERWQQNVSWFCB-HSZRJFAPSA-N 439.485 4.962 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1740762798 GORAIRHPZNVXRP-QRVLJTFESA-N 440.657 4.765 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1740778004 ZENLKAQUGBDTFP-KRWDZBQOSA-N 444.649 4.737 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)N2CCCC2)CC1 1740839580 KVWGQTPDXSYZQQ-HSZRJFAPSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C#N)c1 1740849302 FHLMEXDYKXJEJG-UHFFFAOYSA-N 439.567 4.627 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740857758 BGFQHUVVTZBBPE-GYPIEGGISA-N 428.552 4.511 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1CCc1nc2c(s1)CCCC2 1740924876 FTSMPGLPYZJPGK-UHFFFAOYSA-N 435.597 4.710 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)C[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741005574 YZOJSRJSYIKVKC-YRXWBPOGSA-N 449.665 4.593 30 10 IJEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2C)s1 1742620274 HQSMQEFKNOIZOC-QFBILLFUSA-N 436.585 4.566 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(C)C)cs1 1742876985 BEESGYBOMHJOIO-UHFFFAOYSA-N 447.568 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1748642775 QLWCRZCAXHGENM-LPHOPBHVSA-N 427.474 4.740 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1748702487 JQKJHGLEEFGKSH-UHFFFAOYSA-N 434.384 4.971 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](CC)C1 1748731669 IVSRCCSTHUHLOZ-RXVVDRJESA-N 428.602 4.562 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(C)CCCS1 1748869019 QMEGXHOHOAQRLL-VWLOTQADSA-N 429.593 4.550 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1749026819 QPZGHGZSMKUEAR-QZTJIDSGSA-N 445.032 4.990 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ncc(CC)s1 1749040507 YZELZOJXOPPYFC-UHFFFAOYSA-N 446.045 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(F)F)C1 1749134484 ZKOLZGSCWVYNMW-VWPQPMDRSA-N 430.543 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1cccc(Cl)c1 1749163540 MVFMZVVSVHIROE-QFIPXVFZSA-N 431.005 4.894 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@@H](C)C2)CC1 1749343391 IFLFICGDQOTOPZ-OAQYLSRUSA-N 439.623 4.923 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1749347321 NLCKEESFXSUPND-WIOPSUGQSA-N 438.616 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C 1749375571 DGOBDXRYHQRQNQ-UHFFFAOYSA-N 440.567 4.585 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1749390253 CACGILHBTBDCEE-NRFANRHFSA-N 446.530 4.755 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(C)=O)nc1 1749549119 QDCIYAZIJXJZEA-UHFFFAOYSA-N 448.552 4.502 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1nccc(C(F)F)n1 1749554331 RIBWPYYGFBSIEN-QGZVFWFLSA-N 446.527 4.550 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1749586903 ABXXPYFNXIVFKD-NHCUHLMSSA-N 445.567 4.850 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749740763 JNZNQQFXUBVINX-DVECYGJZSA-N 439.629 4.835 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1749763950 ODHNKILZPUSOHG-XUVXKRRUSA-N 442.629 4.800 30 10 IJEE Fc1ccc(CCn2c(C3CC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 1750374281 CHXBFICPAWPNNX-UHFFFAOYSA-N 436.375 4.858 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1760106732 NJWYCUKQEYPQQX-IAGOWNOFSA-N 431.987 4.706 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(C)C)CC1 1760132666 QOZIZVFOMAAYAQ-UHFFFAOYSA-N 434.415 4.833 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760149598 OJGTZDXVZOCKSX-SFHVURJKSA-N 446.426 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ncc(CC)s1 1760330680 LLLDUVPBGKHYEH-UHFFFAOYSA-N 433.585 4.805 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)c1cccs1 1760340214 OYKMOSGASPFCJC-LYHRCORUSA-N 432.634 4.568 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2sc(C)nc2C)CC1 1760393365 OSHKIWCXJJJAHR-UHFFFAOYSA-N 441.626 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760409860 KFIBWJTVHYZYDR-UUOWRZLLSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760412191 XDIHIXNDOLFFLZ-SFHVURJKSA-N 431.625 4.889 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC(=O)N(C)C)CC1 1760424136 XJZNKONCFWABHF-UHFFFAOYSA-N 447.986 4.789 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccc(Br)o1 1760436950 LYSNUDKUBROGON-UHFFFAOYSA-N 445.317 4.632 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCCC)CC1 1760440430 JSZFVPWWDFZBDQ-SIKLNZKXSA-N 426.561 4.542 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 1760476871 JCBYWLLSPWPKPF-HSZRJFAPSA-N 437.632 4.867 30 10 IJEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(CC)CCCC1 1766325778 HXSHAYNFGDOHAU-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE CCCN1C(=O)/C(=C\c2ccccc2O[C@H](CC)C(=O)O)SC1=Nc1nc(C)cs1 1772761455 PHLWRLSLESKOIB-OONXPLSFSA-N 445.566 4.708 30 10 IJEE CC(C)c1nc2ccc(C(=O)NCc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3)cc2[nH]1 1860881865 XNNYURAGTPPXGR-UHFFFAOYSA-N 437.503 4.740 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(CC)[nH]c2c1 1860964333 MFLLMZFBVTTZOV-QFIPXVFZSA-N 426.605 4.987 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1cc(OC)ccc1OC 1861729011 JVCLCHFITFWJNY-JWIKTPOESA-N 432.605 4.869 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1862384441 ZKMMDLZBNPVMFF-LJQANCHMSA-N 446.286 4.529 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cc(Br)ccc1F 1862541139 FBGRJZMWROPUKK-LJQANCHMSA-N 444.300 4.915 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862556124 PKXRXCALROJQTG-DEOSSOPVSA-N 426.516 4.918 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)OC)cc1 1862585800 DWFAHIWWTMDPSS-GOSISDBHSA-N 448.302 4.768 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862663648 BKTPAHSWWJUIPR-UPVQGACJSA-N 449.547 4.966 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862668210 TTXHTFVXZDCBQF-IBGZPJMESA-N 434.319 4.687 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862697020 ZJXOVJKXFQTKIL-GAJHUEQPSA-N 436.552 4.918 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(O)c1 1862717868 NMLZUBQRIBDOCE-CMJOXMDJSA-N 431.488 4.931 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1cccnc1 1864583029 OBUVOQWBPIUYPT-OAQYLSRUSA-N 439.604 4.558 30 10 IJEE CCCC[C@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1ccc(C#N)cc1 1866599677 DJKZOMPFJTZGFD-QFIPXVFZSA-N 435.572 4.507 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN(CC)CCCC 1870512031 ODJQSQBQXCWGFX-UHFFFAOYSA-N 435.653 4.734 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC(=O)C(C)(C)C)cc(C)c2C1=O 1871420290 YZONMKNQTBQFAA-FBHDLOMBSA-N 440.492 4.631 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872157266 GYOPDOOTEKOVTG-AVRDEDQJSA-N 429.586 4.621 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccccc1 1872174053 LETXNJAOVYAHDI-HSZRJFAPSA-N 444.597 4.850 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872267826 MLHTZOANMXVDNG-MBSDFSHPSA-N 428.598 4.842 30 10 IJEE CCCCCCCCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873038904 WILFYWLBZXHNEJ-HSZRJFAPSA-N 449.595 4.686 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874214535 RBMPEKUPUJGFFK-OEAKJJBVSA-N 446.960 4.739 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccncc2)cc1 1874295965 CWQQBFXDTNWJCT-MFKUBSTISA-N 444.520 4.655 30 10 IJEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2ccccn2)cc1 1874345084 VLEOLZHLOUPKTJ-WGOQTCKBSA-N 433.512 4.608 30 10 IJEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(O)cc2O)cc1 1874410939 DCQZPIPEBQLUGW-YDZHTSKRSA-N 436.562 4.825 30 10 IJEE COc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)c1O 1874428280 AVDNTRPUSMYMBY-KOEQRZSOSA-N 430.533 4.876 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C(C)(C)C)cc(OC)c1O 1874483378 SHLHKFUNAOVVSI-ZMOGYAJESA-N 440.569 4.781 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(O)cc2)c1 1874483674 HMKHJTQNVITSCM-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE Cc1cccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874489608 ZTTDWUMTVGAHGJ-WSDLNYQXSA-N 425.514 4.573 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3CC)nnc2C2CC2)cc1 1874517772 KQISZFSRVMHZRK-MFKUBSTISA-N 449.580 4.730 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1 1874575325 HIJSDGAKASMLQX-WEVVVXLNSA-N 448.269 4.585 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 1875100429 BFIRPKSQVFOILH-ZHACJKMWSA-N 448.431 4.512 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Br)c2)cc1 1875114365 QPNSXDKIIJDUDF-KRXBUXKQSA-N 438.277 4.968 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875119476 WWFZPNDEEFRQJT-VAWYXSNFSA-N 427.453 4.850 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccncc1 1875150691 ZZJBOOPTLMIWFW-DUXPYHPUSA-N 437.835 4.588 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12C[C@@H]1[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C 1906026928 SHZZAUHOJCAVGZ-YLGSOMAFSA-N 426.601 4.916 30 10 IJEE N#Cc1ccc(C2CC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)C2)s1 1952533956 YIEINPABPMSTKG-UHFFFAOYSA-N 444.512 4.859 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1ncnc(Cl)c1C#N 1986486771 QTLLYCYJZKUEMP-OAHLLOKOSA-N 430.936 4.985 30 10 IJEE N#Cc1cc(Br)ccc1NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2026168313 ZFNVCRQVAXDIEE-MOMVYJMYSA-N 426.314 4.580 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 2078848339 SROOGHMBBRMGJU-NTKDMRAZSA-N 445.560 4.976 30 10 IJEE O=C(NC1CC1)c1c(C2CCC2)nn(-c2nc(C(F)(F)F)ccc2F)c1C(F)(F)F 2078940592 KIXZFDVSLYFSTG-UHFFFAOYSA-N 436.331 4.604 30 10 IJEE CCc1nn([C@@H](c2ccc(C)cc2F)C2(C)CC2)c(I)c1/C=N/O 2079043051 VLWJPQFZZIOFNZ-CTJICSLTSA-N 441.288 4.695 30 10 IJEE Cc1ccc([C@@H](n2nc(C)c(C#N)c2I)C(C)(C)C)c(F)c1F 2079849033 QYWVTGUWLYESAJ-OAHLLOKOSA-N 429.252 4.890 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn(Cc2ccc(F)cc2C(F)(F)F)c1Br 2080225802 BYZFEKBOKHYWCM-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CN(C)c1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2093102760 WHAGUUHSZIIZSN-CQSZACIVSA-N 437.363 4.978 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2C#N)CC12CCC2 2174560848 XRCYTJNYFOPXFB-GOSISDBHSA-N 434.378 4.590 30 10 IJEE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1C#N 2174809068 VQUOGNMFBGPQGT-QGZVFWFLSA-N 437.382 4.578 30 10 IJEE CC1CCC(C#N)(NC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CC1 2181048061 QPROIOYHALDCAT-UHFFFAOYSA-N 436.350 4.998 30 10 IJEE CC(C)(C)C[C@@H](CC(=O)Nc1cc(Br)ccc1C#N)NC(=O)OC(C)(C)C 2181048809 ZSTGAFVUHGLCCE-OAHLLOKOSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3cc(Br)cc(C#N)c3)CC2)C1 2193611050 ULGOZLHNNJBELM-QGZVFWFLSA-N 434.378 4.794 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2cc(Cl)cc(Br)c2)C3)OC1(C)C 2194124290 KXLVMODUPBWQGT-BFUOFWGJSA-N 440.574 4.801 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2213316603 VBBDHUPUYDWFFU-QFIPXVFZSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@@H]2CNCC[C@H]21 2233794939 MQCFJCBVSIGECK-FPDPHYFHSA-N 434.378 4.863 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 2235734937 YFQRRZCTQMBVDR-DLVXIWMQSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](N)C#Cc3ccccc3Br)C[C@H]21 2235750505 WGMSOBZYPMJUDM-QGZVKYPTSA-N 433.390 4.554 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247905071 FIWRSYZCYXEWDJ-MRXNPFEDSA-N 428.407 4.519 30 10 IJEE CCN=C1SC(=Cc2cc(OCC)c(O)c(Cl)c2Br)C(=O)N1CC 2294002116 NCXDPZQEQOSEOE-UHFFFAOYSA-N 433.755 4.519 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)C#Cc3cccc(Br)c3)CCCC[C@H]12 2296224203 HWGWZAGSGVHLRG-AVRDEDQJSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@H](O)C#Cc2cccc(Br)c2)C1 2296231152 ANKNZTKPAYWTQI-PKOBYXMFSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2cccc(Br)c2)CCC12CCC2 2296274645 VUVHKTVLXZSQJS-PKOBYXMFSA-N 433.390 4.698 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296290902 IRPWTFSVZLCEIC-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2296295143 ABJFBIQPIKBMJP-DFQSSKMNSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](N)C#Cc2ccc(Br)cc2)CC1 2296300876 NMNRWOJVYMLJMF-LJQANCHMSA-N 435.406 4.801 30 10 IJEE Cc1nnc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@@H]2c2cccc3ccccc23)s1 2296551096 VXZKNDCZJQQXBV-FQEVSTJZSA-N 445.475 4.765 30 10 IJEE COc1ccc([C@H](CNc2oc(C=Cc3ccc(F)cc3)nc2C#N)N(C)C)cc1OC 2297679777 LYTYAJUOPTYMFB-FQEVSTJZSA-N 436.487 4.588 30 10 IJEE C=CCN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)C[C@H]2CNC(=O)OC(C)(C)C 2305326084 SEYSZJWEPYNYQH-LXKSKSEUSA-N 428.573 4.603 30 10 IJEE COc1ccc(OC)c(C=CC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c1 2314429704 MPUJDYZUTHIVAP-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C 2321346015 VPVLGNMWEAUMAI-OHUGHZGNSA-N 447.572 4.655 30 10 IJEE C[C@@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2322466268 LTCBYRHDLZVGAJ-GOSISDBHSA-N 430.460 4.747 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1 2322698946 WMKYVNYCLRKHDD-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)cc1 2323188622 JGARKOUCEHRNEZ-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE COc1ccc(-n2ncc(NN=Cc3ccc(OC(C)(C)C)cc3)c(Cl)c2=O)cc1 2323231013 DSRVSFOMJJTAKT-UHFFFAOYSA-N 426.904 4.518 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(=O)OC)cc2)C3=O)c1 2323792112 NZKFREWUXPTUIO-UHFFFAOYSA-N 444.439 4.707 30 10 IJEE COc1cc(C=NNC(=S)NCc2ccccc2)ccc1OCc1cc(C)ccc1C 2323858633 WDRDEXWUNUDBQT-UHFFFAOYSA-N 433.577 4.889 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2324675238 DKEAIXLZTMAPHO-UHFFFAOYSA-N 448.471 4.786 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325330530 RTDRBIRNKMSTKT-LBPRGKRZSA-N 437.275 4.567 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)Nc1ccccc1Br 2325610157 KTTMRNQVEPFXBF-UHFFFAOYSA-N 427.067 4.572 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3F)cc(C)c2C1=O 2325739227 CEYKWLRRHMRQMK-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE C#CCN(Cc1ccccc1)[C@@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2326297862 BUFPXAIBULEDQC-MUUNZHRXSA-N 430.592 4.944 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccco2)cc1 2328386545 HFKGQPIPSYVEIH-UHFFFAOYSA-N 438.484 4.772 30 10 IJEE COc1ccc(CCc2nnc(SCCCO)n2N=Cc2cccc3ccccc23)cc1 2328589810 BYIHAUJMCWDERR-UHFFFAOYSA-N 446.576 4.582 30 10 IJEE Oc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccc(F)cc2)c1 2329164272 RCGCKXQTGKRFAU-UHFFFAOYSA-N 448.523 4.919 30 10 IJEE OCCSc1nnc(-c2ccccc2Cl)n1N=Cc1c(Cl)cccc1Cl 2329618010 SERNJWGMQVDJJJ-UHFFFAOYSA-N 427.744 4.872 30 10 IJEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2F)c(O)c1 2330393550 RLPXVIHUSKGONG-UHFFFAOYSA-N 440.525 4.655 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2331414178 MASSOQHJYURHPY-UHFFFAOYSA-N 441.988 4.520 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)ccc1O 2331522914 NZOAZWDAWLVIRA-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE Cc1cc(CNc2cccnc2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343580268 JSKBMGAFHOQIDY-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccccc4Cl)n3)cc21 11969094 OPBOGSIDCBQCIL-UHFFFAOYSA-N 425.897 4.627 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 33553695 JSVJULPYWYTVEE-KSEXSDGBSA-N 443.455 4.666 30 10 IJEE O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 34916928 PTJJZSBGPSQLHX-GFCCVEGCSA-N 448.338 4.851 30 10 IJEE CCCOc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 103089013 QBPJPOLIVOYSBP-FEYWKWKCSA-N 446.478 4.631 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3ccc(F)cc3F)S2(=O)=O)cc1 103133547 SAEXQLJZULDHGJ-YBFXNURJSA-N 446.500 4.821 30 10 IJEE N#CCCCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)c1 108733375 QGVOAAJUMKVYPY-DHIUTWEWSA-N 431.536 4.703 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2O)c1 169931914 CNXFPEBRVWUSRA-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccncc2)c1 170018366 UUVGNYOERZLELP-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccc(O)c2)cc1 170081693 FMRMHZJTOACYRF-QHCPKHFHSA-N 435.439 4.528 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 170134367 YGROZBWRYIBURE-QHCPKHFHSA-N 425.440 4.917 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 170160960 LFTRVNALNBENTO-NRFANRHFSA-N 425.469 4.884 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)c1 170166147 ZLGPLADVNLAYGJ-NRFANRHFSA-N 443.565 4.930 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccnc2)cc1 170186071 PZLCZXKWKSATNA-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1)c1ccc2c(c1)CCCO2 170204220 WXZNQUSVHKMPPF-JOCHJYFZSA-N 446.890 4.843 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)s1 170204270 ZXBVLEFLBLNJRN-KRWDZBQOSA-N 425.897 4.591 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1 170235567 GCOLREVYSYCVMD-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccco2)cc1 170291111 AEJLQCZVLMDNNI-QFIPXVFZSA-N 447.487 4.692 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2c[nH]c3ccccc23)c1 170382787 OLFFXROYXABECI-QHCPKHFHSA-N 439.471 4.745 30 10 IJEE Cn1cc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccs2)c2ccccc21 170415538 FBGOAKWJYGNTCZ-NRFANRHFSA-N 432.501 4.654 30 10 IJEE CC(C)(C)Oc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(O)cc1 170447811 OFPBTOGSCUARRH-JOCHJYFZSA-N 447.487 4.941 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@H]1c1ccc(O)cc1 170450787 RKSWVXPSVRVZOH-IBGZPJMESA-N 444.459 4.795 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170472819 LMZBFNQGJFXDGF-QHCPKHFHSA-N 446.503 4.916 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@H]1c1ccccn1 170478895 VRVUPYTTZBTIND-SFHVURJKSA-N 445.903 4.999 30 10 IJEE COCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)SC1=Nc1ccccc1 252622152 NPXHYXSLBQMEGF-QQAFOXPBSA-N 426.538 4.733 30 10 IJEE Cc1c(Cl)cccc1N=C1SCCN1C(=O)CCN1C(=O)CSc2ccccc21 254302657 ADSTXQNOKRFBSV-UHFFFAOYSA-N 445.997 4.740 30 10 IJEE COc1cccc(C(O)=N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2OC)c1 328600761 ZOXQNVOHTKZEQL-WGOQTCKBSA-N 426.476 4.895 30 10 IJEE N#CC1CCC(CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CC1 441146590 NWEAQPKEDXODRT-UHFFFAOYSA-N 446.260 4.653 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 460541952 HLMKYTABCBHIJB-URXFXBBRSA-N 446.551 4.889 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1F 489679622 BJZSSZNLZHYCRT-HNNXBMFYSA-N 444.507 4.749 30 10 IJEE C[C@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 495682271 HDLIYANPAULVQV-ZDUSSCGKSA-N 436.562 4.861 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 508064464 SIYJXNLNFMTENB-UHFFFAOYSA-N 430.295 4.544 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 508794413 KOIHUWAVNNSBSE-CYBMUJFWSA-N 445.283 4.681 30 10 IJEE C=CCn1c(SCc2cc(Br)ccc2C(=O)OC)nnc1-c1ccoc1C 509099812 PBNMZESVMXQILS-UHFFFAOYSA-N 448.342 4.874 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@@H]1c1cccc(O)c1 526608587 HCXAWHUSESRGAY-HSZRJFAPSA-N 442.471 4.728 30 10 IJEE CC(=O)c1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccccc2C#N)C1=O 526659420 RDMLYHMWAONXLA-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 526744982 VVZCXJVDGQPLQR-QFIPXVFZSA-N 449.409 4.673 30 10 IJEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(C#N)cc2)ccc1OC(C)C 526823268 USNCZYYJPPRMAL-QFEZKATASA-N 435.553 4.819 30 10 IJEE COC(=O)c1cccc(CSc2nncn2/N=C\c2ccc(OC(C)C)c(Cl)c2)c1 526825662 BHZIHVMLOHFILQ-MYKKPKGFSA-N 444.944 4.680 30 10 IJEE CS(=O)(=O)c1ccc(-c2nc(CSc3ccc(C#N)c(C(F)(F)F)c3)co2)cc1 543862549 XVNQPLSTMOTXMT-UHFFFAOYSA-N 438.452 4.928 30 10 IJEE COc1cc(C#N)ccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 546710898 QATLFUQBNJNYCE-UHFFFAOYSA-N 437.525 4.654 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@]2(CCCOC2)C1 559024601 OJPLONBIWATAIY-IBGZPJMESA-N 437.407 4.742 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccccc2)CC1 571661888 ZVQFGJWNXLYBMO-QHCPKHFHSA-N 428.536 4.630 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 578620476 WRXRSWOJIAQOPN-LJQANCHMSA-N 434.540 4.541 30 10 IJEE Cc1csc([C@@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n1 609018073 JAUCKVZEIVDTFO-OAHLLOKOSA-N 436.562 4.545 30 10 IJEE CC(C)CCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC(C)C)cc1 726413056 VMWFBBJGWXNHQK-HXUWFJFHSA-N 431.602 4.510 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 732473512 WKBRKIDIXREBFA-RTWAWAEBSA-N 443.588 4.573 30 10 IJEE N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CCC3)CCN1C1CC1 732649813 SRUAAHHPFHCNFN-ZGZCKBCJSA-N 448.570 4.924 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)c2)s1 742078220 BULRELJCRHVHDR-HXUWFJFHSA-N 435.936 4.609 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCc2cccnc2)cc1 746597350 OIOBTZVMZGXXOS-UHFFFAOYSA-N 426.476 4.663 30 10 IJEE Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CSCc2cc(Cl)ccc2OCC#N)c1 767823868 LACMQGBUTXUFOO-UHFFFAOYSA-N 441.944 4.516 30 10 IJEE C=CC[C@]1(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 791776883 IICGNIXNYATGOR-IQMFZBJNSA-N 444.482 4.953 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1-c1nc(C2(NC(=O)OC(C)(C)C)CC2)no1 904989186 WVKNPRAFSPJCJI-UHFFFAOYSA-N 425.407 4.834 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc(C3SCCS3)cc2)CC1 913430593 AYXOMTDBEZIYJK-BXFSZVDSSA-N 432.611 4.641 30 10 IJEE CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2=O)cc1 1125753325 AZRAUHVVWHNJHL-QFIPXVFZSA-N 439.515 4.691 30 10 IJEE COC(=O)[C@H](C)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccccc1 1126820783 DESUWHANJZCVKD-KOSHJBKYSA-N 428.488 4.939 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)COC(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 1128545905 BJZRIWYVQPTJMZ-UHFFFAOYSA-N 445.950 4.666 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(/C=C/c4ccc(OC)cc4)cc3)cc2C1=O 1129323054 IVTIZWPYDAZZHC-SNAWJCMRSA-N 439.467 4.867 30 10 IJEE Cc1cc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)ncc1C#N 1130503571 GIOGWODQUPLVKW-UHFFFAOYSA-N 428.876 4.929 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC[C@@H](c3ccccc3OC)CC2)CCCN1C(=O)OC(C)(C)C 1132918842 WWZPHMMWRSENPH-IBVKSMDESA-N 440.584 4.584 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNc1ccccc1C(N)=O)c1ccc(C)c(C)c1 1136698282 BINLZBQNJPQSHF-UHFFFAOYSA-N 443.547 4.612 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1141879580 CZWIMZFARRBRMR-HXUWFJFHSA-N 436.360 4.768 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 1158884344 TVJAVROJNGDJTG-WMLDXEAASA-N 434.968 4.985 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(Cc2nc(CC)cs2)CC1 1164061517 OEVHJKVLUIBXNM-UHFFFAOYSA-N 436.581 4.551 30 10 IJEE CC(C)(CC#N)CS(=O)(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 1185653945 HPAQDDIBTANNRC-GOSISDBHSA-N 439.350 4.537 30 10 IJEE C#CCOc1ccccc1OS(=O)(=O)c1ccc(Br)c(Cl)c1Cl 1186733822 LDUAJRNEIMGEQU-UHFFFAOYSA-N 436.110 4.536 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)C1 1197868819 NNOKLAXUYPDGBV-GOSISDBHSA-N 443.569 4.624 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(OCC4CCCCC4)cc3)CC2)cc1 1199303598 GGTGTUZWAKZHFG-UHFFFAOYSA-N 432.568 4.867 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCOc3c(OC)cccc32)cc1OC 1202985692 KJBHGEOMRLFTPW-KRWDZBQOSA-N 434.330 4.645 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccc(F)cc1 1216771635 IGGXRUBJCZEHAO-FPOVZHCZSA-N 444.432 4.905 30 10 IJEE COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)Nc3cc(C)c(C#N)cn3)C2)n1 1219692141 CDYWSXRFOFIYHC-MRXNPFEDSA-N 433.537 4.805 30 10 IJEE C#Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(Cl)c1 1220234695 IMYNHQRJBMKLJM-YJBOKZPZSA-N 441.881 4.509 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1233981614 IFPVQSHWDBOXRW-SFHVURJKSA-N 441.560 4.751 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2)[C@@H]1CCOc2ccc(Br)cc21 1252369446 OZRMWVAXPXVVJH-MIALQEHNSA-N 429.358 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1CC(OCC)C1 1286283000 UBGMAJZQVJFSJZ-LRYGQEGESA-N 445.405 4.679 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C)C1 1286316425 KRAIPCIZUQBPRJ-OALUTQOASA-N 428.602 4.562 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]1CC 1286317616 OBKQMJHYVVXOGN-KRWDZBQOSA-N 431.378 4.899 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1286322025 XMMMPVJIYSKTIO-LEWJYISDSA-N 433.600 4.882 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1286541395 IPSWIFKFJCYLOA-FQEVSTJZSA-N 447.421 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1CC(F)(F)Br 1286583909 UNJGBMBXMBCZMI-UHFFFAOYSA-N 443.336 4.810 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1286626346 TVMBBGAHPWEYCZ-UHFFFAOYSA-N 429.735 4.614 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1286653545 AWWVGDVFAGAKDV-QHCPKHFHSA-N 444.583 4.895 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)[C@H](C)CC)C1CC1 1286738781 CZWATQDFYJQXIM-HOJAQTOUSA-N 447.624 4.566 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCCN1CCCCCC1=O 1286749501 UIGODJMNSLOZJT-UHFFFAOYSA-N 441.645 4.983 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1286827108 CYWIXRNEDYXHPK-UHFFFAOYSA-N 425.385 4.772 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@](C)(OC)CC1 1286835105 QJBAUCRDWXLVAA-DEOSSOPVSA-N 444.645 4.789 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(Cl)c1 1287602441 DWICWEPMSPUBFT-UHFFFAOYSA-N 440.954 4.871 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1289072358 DQCNGRJZDBDXDD-AEFFLSMTSA-N 444.352 4.834 30 10 IJEE C=C(C)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 1296710983 BOYTVMDITPTHMT-HXUWFJFHSA-N 445.350 4.900 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccc(Br)cc1 1298539436 SGWGYHQVSJAWBU-NRFANRHFSA-N 436.280 4.924 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCO[C@H]1C(C)C 1300443409 GNFNLEAUMLJGMR-GCJKJVERSA-N 438.572 4.943 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1300510740 ADIAIKIVYTUFFD-WXFUMESZSA-N 432.612 4.734 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCCN1CCCC[C@@H]1C 1300650852 YWEYXSGSAWIUJI-NRFANRHFSA-N 425.596 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(C)C 1300869255 KVZNZIKQIUVBHB-MJGOQNOKSA-N 433.394 4.781 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCC(C)CC2)CC1 1301087441 HJKZBOYRALUZKV-UHFFFAOYSA-N 443.586 4.816 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCCCC2)CC1 1301109079 FWDLCMYHHHNCFA-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1301137942 YYOMXLDLDAHGSU-LJQANCHMSA-N 441.595 4.932 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 1301174188 OAWFEPXNNSAQNL-RXVVDRJESA-N 438.551 4.989 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCN(CC)C(=O)C1 1301176042 NYEHZAZIAYIVGB-SFHVURJKSA-N 441.645 4.546 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@H](SC)C1 1301202060 DDHBZPVDMYCMRT-INIZCTEOSA-N 438.439 4.734 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301228012 ZCRRJIPKHHIUDI-SFHVURJKSA-N 427.643 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(Cc2ccccc2)CC1 1301270109 BYFBGKICDTUWSO-UHFFFAOYSA-N 426.362 4.681 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1nc(C)c(C)s1 1301333930 DCUMSHMXKROXQG-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=C1CCC(C(=O)NCCN2C(=O)S/C(=C\c3cccc(Cl)c3Cl)C2=O)CC1 1350047731 NDLWOTQBYCAQNZ-WJDWOHSUSA-N 439.364 4.892 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c(OC)c1 1350140512 JTOATGNITGXQEA-SFHVURJKSA-N 434.319 4.941 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(OCCOC)cc2C)s1 1354657423 LCAFXIQHSWLNNL-UHFFFAOYSA-N 426.991 4.811 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1358923624 VIHZSWLHNMNYNC-HXUWFJFHSA-N 430.581 4.633 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](c1cccs1)N1CCCC1 1358938818 KBPWUFJBTRLHOG-YADHBBJMSA-N 433.625 4.788 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCSCc1ccc(C)cc1 1358996895 WUHOICQDSJYJPJ-UHFFFAOYSA-N 434.634 4.635 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1noc2c1CCCC2 1359108350 KPICLMUGEVZJAY-UHFFFAOYSA-N 443.498 4.864 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)N2CCC(C)CC2)CC1 1359180156 UPHRDZQTTXDKTJ-IBGZPJMESA-N 443.586 4.670 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1359218871 XULMOISQHJVZAZ-UHFFFAOYSA-N 428.024 4.953 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnc(C)s1 1359221229 VFYPINYLDMPJDH-SFHVURJKSA-N 446.621 4.718 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCOC1CCCC1 1359234760 ZOSANDNQDNUOPA-UHFFFAOYSA-N 425.396 4.741 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-c2ccsc2)nc1 1359243772 DOHLGEUCFJRFRE-UHFFFAOYSA-N 442.548 4.523 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1359284482 RTDNTUILBLQKIY-HOTGVXAUSA-N 449.393 4.544 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCCc2sccc2C1 1359339481 GYMGPYIVMMEFGJ-UHFFFAOYSA-N 426.611 4.887 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)cc1 1435973083 AAONFIIKVYGGCD-UHFFFAOYSA-N 425.485 4.690 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nccs1 1440664995 SYCVZLUTBWFYLY-NRFANRHFSA-N 433.533 4.955 30 10 IJEE C=CCNc1ncc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@@H](C)c2ccccc2)s1 1450542999 QCDVZRJYRXAGRM-HNNXBMFYSA-N 438.528 4.932 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1450620700 GSGSRKKFJZKODQ-PCCBWWKXSA-N 444.959 4.613 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1452999705 OOJVDRMCNRQSIA-ZDUSSCGKSA-N 425.369 4.997 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ns2)c1 1460104905 SNYXDQIQSOALRR-UHFFFAOYSA-N 447.969 4.739 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1ccccc1 1461148045 MJEJPGCTEUVELT-MRXNPFEDSA-N 431.332 4.673 30 10 IJEE C#CCn1ccc(CN(CC)Cc2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)n1 1462190829 LHFUWLZISGLYTE-UHFFFAOYSA-N 443.526 4.964 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 1464354017 JIOHWORSEVFIFW-IBGZPJMESA-N 432.549 4.861 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@H]1COc2ccccc2O1 1470563745 VWKXNRUKXANZHA-KRWDZBQOSA-N 449.320 4.516 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1471235278 SDLYWGHEPFLZEI-ONTIZHBOSA-N 431.621 4.637 30 10 IJEE COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 1471742040 GBHQSCVKPDXVTO-SSOJOUAXSA-N 446.503 4.528 30 10 IJEE C=CCn1c(S[C@H](CC(C)C)C(=O)OC)nc2scc(-c3ccccc3)c2c1=O 1472931537 PVOVVNKQMPQLHF-QGZVFWFLSA-N 428.579 4.991 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1478472765 UERYIHWRYAUZNZ-IBGZPJMESA-N 435.515 4.767 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@H](COCCC)Cc1cccc(Br)c1 1478476166 XOKSNMPNMQVCLV-QFIPXVFZSA-N 443.385 4.632 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCCC1)CCC(F)(F)F 1502188853 HBFYBMYHHDRFPQ-UHFFFAOYSA-N 448.537 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOC(C)C 1507522551 HWKZGLSHFIDCBS-CQSZACIVSA-N 439.785 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1cccc(C)n1 1507525000 YIYGHCNTAVJQFB-HKUYNNGSSA-N 433.625 4.926 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(CC)(CC)OC 1507540283 BBEWLUQMRYJRBG-IBGZPJMESA-N 426.605 4.818 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2cc(C)cn2)CC1 1507576088 IHQVVFDFLXBLJB-UHFFFAOYSA-N 440.954 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1(CC)CCCC1 1507648408 ZTBZIKDSPGQWOA-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H]1C 1507754816 GXGYZEQOCJBCGF-SFHVURJKSA-N 433.021 4.607 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1Nc1ccn(C)n1 1507807041 BXAHSLBCTVTNLR-MGPUTAFESA-N 444.992 4.682 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCSCC1 1507837453 QEDVDOSGZMPURJ-UHFFFAOYSA-N 435.018 4.959 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1507870778 MTAYUYCTAMFBLY-QUCCMNQESA-N 444.023 4.580 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCCC2)CC1 1507896809 BODJEKLIWDURPS-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1507900291 IRDJEDYNXKUKEJ-PKOBYXMFSA-N 430.980 4.561 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(c2ccnn2C)CC1 1507918745 ISPBFKDKVIOTOY-UHFFFAOYSA-N 448.615 4.885 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccco2)C1 1507938025 WZTSECQRVFEWDT-HMXCVIKNSA-N 428.577 4.724 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(C)CN(C)C1=O 1508006748 VPFVKRLJFWAVSN-PXDATVDWSA-N 449.624 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCCOC(F)(F)F 1508011497 GHVCJUKDEFGVTE-UHFFFAOYSA-N 445.283 4.813 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1508070821 JDBHWXYADGLMRJ-UHFFFAOYSA-N 438.347 4.503 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(=C)CC1 1508150657 GBCQXXIHSLDPAL-UHFFFAOYSA-N 437.382 4.922 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC=C(Br)C1 1508167247 JQXZTQNYXDCBLO-UHFFFAOYSA-N 449.418 4.574 30 10 IJEE C=CCc1cc(CNC(=O)Cc2cc(Cl)ccc2Br)cc(OC)c1OC 1519358912 AKADTHROPJUVLG-UHFFFAOYSA-N 438.749 4.707 30 10 IJEE C#C[C@H](NC(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1525054534 OFYXSGADYIHQCF-APWZRJJASA-N 449.389 4.667 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCCN1C(=O)OC(C)(C)C 1526512824 BIHMCACDNJPOAK-QHCPKHFHSA-N 443.544 4.605 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)O[C@@H](Cc1ccc(F)cc1)C(F)(F)F 1529156185 FRNWHKRFGCCKEL-INIZCTEOSA-N 446.194 4.555 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)Cc2ccc(C)cc2)c(C(=O)OCC)c1C 1532545332 NGVXNOIOUMZTEA-OAHLLOKOSA-N 429.538 4.702 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)c1ccccc1 1537026693 JISVWVOHWYNICI-ICSRJNTNSA-N 426.944 4.915 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)Oc1ccccc1 1539245284 DANOYWDOKVQAQR-PMACEKPBSA-N 444.604 4.672 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nccn1C(F)F 1539650161 LHLOUGTWYUOYDX-OAHLLOKOSA-N 434.466 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN(C(C)C)C1 1539676908 XZBBGHDQVBYYFD-QFIPXVFZSA-N 425.621 4.688 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1539847458 LVXNOVQZSZSZFE-UGKGYDQZSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCO[C@H](C)C2)CC1 1539881582 BIOXTBPXJDJWNB-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1539920400 DHPCWSVLNCBNNB-QHCPKHFHSA-N 449.643 4.522 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)c1ccccc1 1539940919 XATFMWIPFZMIRV-YZUZCNPQSA-N 432.616 4.954 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCOC1 1539953906 PPNIEKOAJHNYKY-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCC[C@@H]1C 1540154586 ZQZSPDHMXKJRMI-YCRPNKLZSA-N 449.368 4.576 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1c(F)cccc1Cl 1540861368 NZKCODNNCTVTEJ-SFHVURJKSA-N 449.958 4.965 30 10 IJEE C=CC1(CC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1543038281 OXJMLSIJMRAGRY-UHFFFAOYSA-N 431.533 4.785 30 10 IJEE C=CCn1c(SCC(=O)Oc2ccc3c(c2)CCCO3)nnc1-c1ccc(Cl)cc1 1545066292 MQGVAUPVZTXPPO-UHFFFAOYSA-N 441.940 4.807 30 10 IJEE COc1cc(/C=N\N=C2/S/C(=C\c3ccccc3C)C(=O)N2Cc2ccco2)ccc1O 1554646025 AESUKNNXBZTMBM-CLIINMCLSA-N 447.516 4.809 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1 1556404917 ZUBVYXADNWJISA-KRWDZBQOSA-N 449.523 4.566 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1 1563596694 NARVPLUVSVVTRT-KRWDZBQOSA-N 441.247 4.564 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)c1 1564924047 AOLVUVRBGMGQBB-XMMPIXPASA-N 432.545 4.604 30 10 IJEE C#C[C@](C)(CC)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1569253695 OGNSOMNSAHDCJQ-SHQCIBLASA-N 432.564 4.858 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cscn2)c1 1584271761 RVGDBFCEWUIHHG-IBGZPJMESA-N 431.558 4.910 30 10 IJEE N#Cc1cccc(NC(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)c1Br 1585444506 FBILLODJODBPLD-UHFFFAOYSA-N 443.251 4.526 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)C1 1587043691 MCABUTFVBHCVRB-GFCCVEGCSA-N 431.792 4.665 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1587872554 MCQKESTZTIBMCM-RSXGOPAZSA-N 447.671 4.958 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](CC)N1CCCC1 1587921944 NGBXCEAZNFHELX-INIZCTEOSA-N 428.005 4.757 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1Cc1ccc(CC)s1 1588480947 DQMRKGGPWAMOEQ-UHFFFAOYSA-N 433.556 4.735 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1593764003 UGRKXXVCPBQLNM-IBGZPJMESA-N 426.605 4.939 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)OCC)C1 1594600101 IPGZZYHXONYCSX-KRWDZBQOSA-N 431.968 4.670 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1594617314 YBGDGLKLYHHODE-RBUKOAKNSA-N 429.634 4.931 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)c1cc(C)oc1C)C1CC1 1595058293 HFZHANHWGPKCID-DEOSSOPVSA-N 440.975 4.795 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C)C1)C(C)C 1595165234 DCOXKYHFUQDQSS-CTNGQTDRSA-N 443.039 4.928 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1C(F)(F)C12CCC2 1595282809 KGRYNRCOIYALHX-QGZVFWFLSA-N 440.897 4.812 30 10 IJEE C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CN1Cc1ccccc1 1595424133 CKEQCNCAHORRGD-NQIIRXRSSA-N 429.495 4.882 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 1595675115 YLJRWASTQRYMCU-SBHAEUEKSA-N 443.661 4.502 30 10 IJEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC)CC2)C1 1614386655 FQPGUNOSKVTPFX-SIKLNZKXSA-N 448.615 4.528 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccsc1Br 1619380585 CTLQCLLJINLLBM-ZDUSSCGKSA-N 446.374 4.564 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)s1 1627530076 OMNFKGMNTUGOOC-UHFFFAOYSA-N 435.372 4.803 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 1627707971 BFOKOIBEDARFDK-DLBZAZTESA-N 445.412 4.992 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCCNC(c3ccccc3)c3ccccc3)cc21 1627746331 GWPPIAFIJOJVLV-UHFFFAOYSA-N 425.536 4.723 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2CN2CCCCCC2)c1C#N 1628877089 DLMIGLCTRWCFNK-UHFFFAOYSA-N 434.609 4.859 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1 1640488138 XQRNCOUBMPJRLU-QFIPXVFZSA-N 432.927 4.745 30 10 IJEE C=CCN1CC[C@H](Sc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)n2C)C1=O 1640601528 ACZULLYZAYTIJB-RDJZCZTQSA-N 430.643 4.574 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1 1641006602 WPHCOTRMDFBGRK-IAGOWNOFSA-N 426.916 4.534 30 10 IJEE CCOC(=O)c1c(NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)sc2c1CC[C@@H](C)C2 1643522850 GJATYBBAYOZRCY-CVEARBPZSA-N 439.581 4.553 30 10 IJEE C=CCn1c(SCC2CCN(C(=O)OCc3ccccc3)CC2)nnc1-c1cccnc1 1643572493 APJANVXNBGZQHD-UHFFFAOYSA-N 449.580 4.667 30 10 IJEE C#CCN(C(=O)CCc1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1645454514 JOYLTNWUMONRRX-UHFFFAOYSA-N 439.383 4.787 30 10 IJEE C=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1cc(C)ccc1OC)C(=O)OCC 1652368956 FCOITVSVBIFUIF-UHFFFAOYSA-N 444.940 4.568 30 10 IJEE C=CCn1c(SCc2occ(C(F)(F)F)c2C(=O)OCC)nnc1-c1ccncc1 1652464892 KMGWVKRAUFBLHS-UHFFFAOYSA-N 438.431 4.607 30 10 IJEE C=C(CNCc1cc(I)c(Br)cc1F)c1ccccc1 1655533546 RMMKXNQMHXIYQC-UHFFFAOYSA-N 446.101 4.996 30 10 IJEE CC(=O)c1cccc(C#N)c1OCc1coc(-c2ccc(I)cc2)n1 1656828234 KJMAQQPBVHSUKO-UHFFFAOYSA-N 444.228 4.599 30 10 IJEE C=CCN(C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1658259740 NKQYZNYTCAYJSQ-GOTSBHOMSA-N 444.616 4.686 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1 1661860259 HILQQBPJALVZTL-HXUWFJFHSA-N 442.544 4.916 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CSc4ccc(Br)cc43)cc2n1 1664854438 QYUAXWNOSNZIKM-KRWDZBQOSA-N 429.343 4.953 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 1670162634 CKTUKHUYNLNMIL-DOSUHQCWSA-N 441.963 4.581 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2cc(Cl)cc(Br)c2OC)CCCC1 1670325943 YIBCSNVBHFLYST-UHFFFAOYSA-N 436.799 4.916 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)cc1 1670503730 AIRRDZKAEKGBIC-HNNXBMFYSA-N 444.919 4.707 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1671279360 OQTMJGJHSYIMKH-UHFFFAOYSA-N 429.524 4.928 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1671515607 KAZFTUQYPZAIRG-SFHVURJKSA-N 429.314 4.900 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 1671672967 GXRYHAIQJASYPL-PKTZIBPZSA-N 449.551 4.881 30 10 IJEE C=CCCCCCN(C)C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1675671044 REWZYWGAYCERLD-LJQANCHMSA-N 425.495 4.757 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 1677649729 HXELXHNJXIUDME-IBGZPJMESA-N 436.519 4.709 30 10 IJEE Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1S(=O)(=O)C1CCCC1 1677783340 FBVRCHJRVPPHAS-NRFANRHFSA-N 425.554 4.878 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1nc(Cl)c(C#N)s1 1678315274 AISLTDOKNIIQQU-LLVKDONJSA-N 427.361 4.852 30 10 IJEE C=CCC1(CNC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCCC1 1678911327 VERBGAXKJJQUFB-UHFFFAOYSA-N 434.422 4.849 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)c1ccccc1 1679258735 IGSNMOBAQVRQAI-ZDUSSCGKSA-N 431.183 4.983 30 10 IJEE C=CCC[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 1680854855 HVHYLZPNAOVHBP-OALUTQOASA-N 441.494 4.975 30 10 IJEE CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1cccc(OC)c1 1681956802 BBJHTRZOYXSJRV-UBFVSLLYSA-N 434.584 4.559 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 1683203596 WQOQKDQMUGAKOD-LSDHHAIUSA-N 427.998 4.887 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCN1C1CCCCC1 1684061178 SEWDUWIKYGABIQ-LJQANCHMSA-N 438.385 4.693 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1 1687036337 LMGWPFISWINODW-VXKWHMMOSA-N 429.605 4.900 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1689919202 GEELODZYYACJKT-UXHICEINSA-N 430.955 4.935 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCc1csc(C(C)(C)C)n1 1689973670 LESLOONZMQEQCP-UHFFFAOYSA-N 437.613 4.540 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1C[C@H]1c1ccccc1 1690086034 ODPPXBRYNQDLHS-FKBYEOEOSA-N 449.599 4.613 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC)CC1 1690161651 MMFNNCJMFZKADB-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1690193566 MSTPBKDPFJEFPW-XZWCOCNFSA-N 440.563 4.755 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1cccs1 1690230415 CDTKPYIDICMNEH-UHFFFAOYSA-N 438.420 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1690239556 YFWCIFJMYWKYGC-HQRMLTQVSA-N 430.980 4.583 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690279328 BJBAFWVYNQWFRA-INIZCTEOSA-N 449.958 4.759 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1ccc(F)cc1 1690332763 LICNHETTZKVQMB-UHFFFAOYSA-N 438.732 4.954 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCOC2(CCCCCC2)C1 1690509786 IJRYBYRRWOULJT-UHFFFAOYSA-N 442.579 4.530 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC)CCCC1 1690569883 ONOZOMPKPPEDBR-FQEVSTJZSA-N 425.552 4.531 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2sccc2Br)C1 1690689690 JVXRTVBKRFZKRM-AWEZNQCLSA-N 449.374 4.500 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)COCC 1705574728 LTDBPGHJOLODOS-UHFFFAOYSA-N 447.608 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1sccc1C 1705677436 OGZPUKRFQJUOEF-JOCHJYFZSA-N 426.973 4.921 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCSC[C@H]1C 1705698149 QCTLDPLKFBISOI-NMIHRBCNSA-N 426.630 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(F)cc(F)c1 1705705502 IIQOAXLBILZHJD-AVRDEDQJSA-N 444.551 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](CC)N1CCCC1 1705714077 CUNGERLGNFNHSR-OAQYLSRUSA-N 434.588 4.877 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1ccc(Br)o1 1705723206 FHXUPAAYQMIIFZ-UHFFFAOYSA-N 447.333 4.530 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1705747760 UMOQUUYIOXAFSP-HNNXBMFYSA-N 436.387 4.629 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2sccc2Br)CC1 1705783429 HKUSKJAXRNUDTI-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1705785163 YHZTZJYLPLFPFU-URXFXBBRSA-N 428.552 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705789028 WAPATBWAEMPGDH-UHFFFAOYSA-N 449.599 4.988 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1705796716 JESMLVSJZITEAQ-QFIPXVFZSA-N 433.600 4.896 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCSC2(CCOCC2)C1 1705809363 PIFKTNGNWQFZGA-UHFFFAOYSA-N 442.629 4.624 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCOC2)C1 1705809375 PKCBCFVKSYYYRN-QHCPKHFHSA-N 428.602 4.552 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCC2(CCCCC2)C1 1705832428 XLHRDNZLUMKIOH-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1705889864 IQJHZJCREVCUJD-ZIAGYGMSSA-N 427.496 4.565 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1705893108 HRDWAPHCLKPXKT-UHFFFAOYSA-N 434.053 4.968 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2OCCC2(C)C)C1 1705919851 LVWXWZYAZYTYCM-VXKWHMMOSA-N 438.616 4.839 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(c2nccs2)CC1 1705944872 VLAVUMAPGJXEEW-UHFFFAOYSA-N 441.626 4.713 30 10 IJEE CN(CCc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1CC1CC(C)(C)C1 1711180004 DPMKZYXDBHCIEE-UHFFFAOYSA-N 435.597 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCC1CCOCC1 1722301207 ATKHPKBWVNPZDZ-KRWDZBQOSA-N 433.021 4.889 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCC1 1722420544 HRGBGBARGPYFAJ-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CC)C1 1722465613 PPJUMGFEGGTIOC-HNNXBMFYSA-N 439.412 4.767 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)C[C@@H](C)C1 1722503697 XNALWCOWZJINSU-PYXMZCFHSA-N 430.637 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCCC1 1722517817 ZPJQFARPMZKQQX-UHFFFAOYSA-N 438.403 4.662 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@H]1C 1722535546 CWNSQQBXLDRSAU-VQTJNVASSA-N 426.605 4.982 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(F)cccc2SC)CC1 1722573403 WXNBCXLDOLPJOR-UHFFFAOYSA-N 445.608 4.508 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](c3ccccc3)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1722593549 VPYJXXATWRRPMU-MZEQIWSPSA-N 438.616 4.915 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1722595966 AAQYNYFXXBPLAP-GHTZIAJQSA-N 447.549 4.663 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@@](C)(CC)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1722598155 ZZGGSKUGYNQSJR-RCXJIHSJSA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)Cc1cccs1 1722600096 LAOFCKSWHVGIMJ-UHFFFAOYSA-N 448.596 4.636 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1722611590 KMEMRZGMVWYJAX-QUCCMNQESA-N 428.577 4.711 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(Cl)=C(Cl)C2)cc1 1722706711 XELLZXHXSBGBQZ-UHFFFAOYSA-N 442.350 4.853 30 10 IJEE CN(C)CC(C)(C)Cn1c(C2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1729334106 CUMACSXKLIRNAJ-UHFFFAOYSA-N 432.616 4.689 30 10 IJEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC1CCCC1 1740644700 PXHCTDAQDAXQFP-UHFFFAOYSA-N 431.584 4.581 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1740751937 QBQRPQWDEUWOST-JTSKRJEESA-N 446.542 4.709 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CCOC)C1 1740785576 NZCOVFYXNSLZPH-HNNXBMFYSA-N 425.360 4.603 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C(C)C)N2CCCC2)CC1 1740825537 WZGZLILMEMLLEE-IFMALSPDSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(F)cc1F 1740847890 WUZAQALSTHGDDM-UHFFFAOYSA-N 443.498 4.523 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(C)(F)F)cc1 1740892408 GFNHKSBKEAVHJQ-UHFFFAOYSA-N 436.304 4.818 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CCSCC 1740946874 INNYWSVBUCTJLW-QGZVFWFLSA-N 437.654 4.547 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC=CO2)C1 1740975090 MAADEZLMUWMJPC-SJORKVTESA-N 435.355 4.726 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2sccc2C1 1740998403 LLPYJFWCUDXQJQ-UHFFFAOYSA-N 442.610 4.506 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)C1 1747482890 HYEYEFKPCRXGSX-QTPAZIJBSA-N 439.629 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1cccs1)N(C)C 1748655464 YREXPYAYWVROOC-KBXCAEBGSA-N 431.968 4.560 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC[C@H]1CC 1748776840 RVQUUKXRBWJVFW-CVEARBPZSA-N 431.378 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1Cc1cccnc1OCCCC 1749061474 WJFLRPMSEPTORD-AREMUKBSSA-N 429.568 4.868 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@H](c3ccccc3Cl)C2)nnc1C(C)(C)C 1749139439 FFQDMXUNCSMDOY-YYWHXJBOSA-N 445.007 4.788 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1749311862 ZFPGHNARPJCTNS-HXUWFJFHSA-N 432.037 4.720 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNC(=O)OC(C)(C)C)CC1 1749331174 CVTFNFMDCJBUNF-UHFFFAOYSA-N 437.544 4.618 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)COC)CC1 1749331309 XJLOJUMNOBREBN-AWEZNQCLSA-N 437.357 4.532 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1C(F)(F)C12CCC2 1749471392 MJTOZYQPYSBQTA-HNNXBMFYSA-N 441.295 4.904 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCC[C@@H]1C)C1CC1 1749527632 LLWYMCCMGVBVOR-KRWDZBQOSA-N 432.037 4.863 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCS1 1749530970 AUZZJFIZPBFDNP-VXKWHMMOSA-N 437.613 4.522 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1 1749544348 FCSQFZSBGRPCDN-PMACEKPBSA-N 449.574 4.799 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(F)(F)F)c2)C1 1749717920 QYPHKADABNKFEN-HXUWFJFHSA-N 434.506 4.859 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(Cl)s1 1750062105 DKPGICSDJULUGR-LBPRGKRZSA-N 437.903 4.906 30 10 IJEE Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCC#N)CCC(C)C)cn1 1751526523 GZMAWRGYYLPHSG-FGZHOGPDSA-N 438.620 4.715 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1760246913 HWNAALVZHPURDA-VQTJNVASSA-N 434.506 4.887 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760284437 LZEDAAFPCQBESB-RXVVDRJESA-N 426.630 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)CC 1760290500 HSJIHFWXBSYMOO-YADHBBJMSA-N 428.989 4.966 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccccc1F 1760323542 DGCQUVDFKQRHOY-WXVUKLJWSA-N 435.547 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)N1CCCCC1 1760331756 XXTLODNCLNQTAN-UHFFFAOYSA-N 426.565 4.520 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1760404507 CIZUNFDJKPTWNE-HKUYNNGSSA-N 430.980 4.728 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCc2nc(C)no2)CC1 1760406109 SOICFBXNUVNIKE-UHFFFAOYSA-N 438.601 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1c1nncn1C 1760409089 ZOJNKCCXSXQACH-SFHVURJKSA-N 443.958 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760410105 TUWNUODLYIYFOZ-SFHVURJKSA-N 435.538 4.929 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 1760417205 YFSXQCWMAWJSKC-FGZHOGPDSA-N 443.680 4.864 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1C 1760425691 UAQJJIZQIUGYSF-HSALFYBXSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2=O)CC1 1760432975 XSZILHZEPXAIRM-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(CC2CCCCC2)CC1 1760444106 XSWZECAZRJQCGJ-UHFFFAOYSA-N 441.595 4.665 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CCOC(C)(C)C 1760478190 YXLVEQSCTNJOEM-UHFFFAOYSA-N 435.572 4.665 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@@](C)(CC)O1 1760498917 IPTGRTSJRSYEFR-JQYIIUTOSA-N 438.616 4.755 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCc1c(F)cccc1F 1760500228 VXXWONJOLFPNRC-UHFFFAOYSA-N 449.505 4.998 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1cc(Cl)ccc1OC 1760500378 ZADRUKLISRYLIK-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)CCC2CCOCC2)cc1 1760530272 MTLCQRFITTYJAV-UHFFFAOYSA-N 436.556 4.713 30 10 IJEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4ccco4)n3)c2)C1 1772724497 YCZOWDHLPBNCQX-HZPDHXFCSA-N 444.582 4.516 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(N(CC)CC)cc1 1862463870 YFCWVSGFSYENCD-OAQYLSRUSA-N 444.453 4.714 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1c(F)cc(F)cc1F 1862467385 OQKLHRHTWNQXOP-QGZVFWFLSA-N 441.327 4.863 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccccc2)cc1O 1862481208 ZLOOEEOJILWODD-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C(C)C)cc1 1862645255 DMKAWTHPNPJZBW-QFIPXVFZSA-N 440.515 4.667 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2Cl)cc1 1862688763 AESHBQFOOGLDIG-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H](C)O)c1 1862720101 SJEXYEHHVVZHHU-MZNJEOGPSA-N 445.515 4.588 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(F)cccc1Cl 1862720419 WEYQPIYJLWKBOV-OAQYLSRUSA-N 439.870 4.857 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCc3ccccc3)C2=O)c1 1863401832 IZQNDHLCPBMIBZ-UHFFFAOYSA-N 435.527 5.000 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868291234 LWMWIUYLPFHBJP-UHFFFAOYSA-N 446.986 4.672 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1 1868716076 XGLPFWLZFFTNFV-SANMLTNESA-N 440.534 4.972 30 10 IJEE Cn1c(C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(C(F)(F)F)c2)cc2ccccc21 1870160657 CYTCIJZYTSTTQR-UHFFFAOYSA-N 444.804 4.555 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(C)CC1 1870467945 IFVRRACAQNFIQK-UHFFFAOYSA-N 425.617 4.535 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(=O)OC)o2)cn1CCCCCC 1870558811 MONJUMGOGIBFKT-UHFFFAOYSA-N 442.556 4.561 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN(C)C 1870713935 RYPWLMXYMBGHFY-UHFFFAOYSA-N 448.007 4.941 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(OC)cc2C)cc1=O 1870810436 CLLODAOTPJOCEE-UHFFFAOYSA-N 434.536 4.594 30 10 IJEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)c(OC)c(OC)c2)C3=O)C1 1871353728 YOSYVJGJPIBZBK-VDIXJHOCSA-N 439.508 4.587 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871415063 TXYQHDPVTQEPLR-XYGWBWBKSA-N 431.488 4.835 30 10 IJEE CCCCCCCCCCN=c1nc(N(C)CCO)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871496620 VFOZAVTZBZTEAK-UHFFFAOYSA-N 442.652 4.564 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871995852 KWXWUQUVSJAZOM-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(C)(=O)=O 1872215835 RSAAPXMELCBHLO-JPYJTQIMSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1)S(=O)(=O)CCC 1872434018 PVELXMMTZBVQLP-NRFANRHFSA-N 434.989 4.946 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872568598 FTJWJZOBAHYGJF-HSZRJFAPSA-N 444.597 4.605 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873317260 VBVCCHOCMGRWNF-OAHLLOKOSA-N 429.426 4.790 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCCN(CC)CC)ncnc21 1873624927 YRLOHHWKOXTLIH-UHFFFAOYSA-N 440.979 4.585 30 10 IJEE C=CCNC(=O)[C@H]1CC(=O)N(C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)C1 1873840719 CCWSXGHKOIUECL-JPQYBODWSA-N 436.640 4.971 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1874256782 SBXBWQNGOHUARX-WSDLNYQXSA-N 445.932 4.975 30 10 IJEE C=CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874277333 PZOOMDMSGASIDW-BIKZULFDSA-N 439.629 4.850 30 10 IJEE CC(C)c1ccc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SCCO)cc1 1874284016 KVBDRCGBDVCREA-BUVRLJJBSA-N 428.989 4.807 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccncc2)c1 1874425353 DLAKQPCVZBIXHP-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccccc2F)o1 1874487619 GJUZTAKDWKXEJT-FSJBWODESA-N 430.505 4.560 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccccc1Cl 1874568763 PDSWXJZEQWSIRB-OEAKJJBVSA-N 430.961 4.901 30 10 IJEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccccc1 1874586117 WYXCRAVLAOUTFB-BUHFOSPRSA-N 429.516 4.903 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C(C)C 1875109836 HNGWPSWJGVOOJC-BJMVGYQFSA-N 433.298 4.924 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cnccn1 1875140931 FWSHXNWQALWEKC-ZZXKWVIFSA-N 426.831 4.701 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCCSC 1875151714 ZIODNBDXUBQDJU-RMKNXTFCSA-N 428.506 4.759 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CC3)c(OC)c2)c(OCC)c1 1875177824 VLYVETNKCHKWGZ-KPKJPENVSA-N 440.492 4.713 30 10 IJEE Cc1ccccc1-c1nc(C)c(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)s1 1890602943 OHJDXQWNKHYUTH-UHFFFAOYSA-N 432.549 4.625 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1894505478 REOKKVZNQBLNRY-BJKOFHAPSA-N 438.483 4.607 30 10 IJEE Cc1ccc(S(=O)(=O)OCc2ccc(OC(F)(F)F)c(Br)c2)cc1 1930660466 SWXLQEZCHQUBKV-UHFFFAOYSA-N 425.222 4.562 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C#N)(CNC(=O)OC(C)(C)C)C1CC1 1944405337 JHMLVYYUFWRQGM-HSZRJFAPSA-N 431.533 4.634 30 10 IJEE N#Cc1ccc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1951409671 JKZUEVNQUVEKJA-IBGZPJMESA-N 426.472 4.655 30 10 IJEE C#CCC(C)(C)C(=O)Nc1c(Br)cc(Br)cc1Br 2035343587 DBNBOSKWYQJDIS-UHFFFAOYSA-N 437.957 4.962 30 10 IJEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])c12 2053515577 ASUWAZOSSUJYGM-UHFFFAOYSA-N 446.463 4.605 30 10 IJEE C[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(/C=N/O)c1I 2079079410 SJJNNTVYZMZXJI-MXVVBNHJSA-N 449.214 4.801 30 10 IJEE COC(=O)c1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079196811 KQVLPHCWVONFDD-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE CCCOc1ccc([C@@H](C)n2nc(C(C)C)c(C=NO)c2I)cc1 2080057830 OXDHZORRJLAUNZ-CYBMUJFWSA-N 441.313 4.817 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1c1ccc(C#N)c(Br)c1F 2118157772 ZZRHHPAAWWVKNL-STQMWFEESA-N 426.330 4.542 30 10 IJEE CC(C)[C@@H]1[C@@H](Nc2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2126363414 KKISDZOPYMNSJZ-DOTOQJQBSA-N 426.330 4.906 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(F)cc(Br)cc1F 2170705477 RJKGFACOWLLFTG-INIZCTEOSA-N 446.336 4.871 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174764964 FZLXIXRVXLYTPF-FICVDOATSA-N 438.341 4.827 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174764965 FZLXIXRVXLYTPF-QDMKHBRRSA-N 438.341 4.827 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3cc(Br)cc(F)c3C#N)C[C@H]21 2174813125 SFENCBGZCFKFJA-SRCQZFHVSA-N 438.341 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(C)(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181110525 CWACBECBMQQETD-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2c(F)ccc(Br)c2F)C3)OC1(C)C 2194169302 WHRNHNHENBUHEG-BUXKBTBVSA-N 428.126 4.786 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)C#Cc1ccccc1Br)Cc1ccccc1 2209250594 UGMVWURFPPJLKY-UHFFFAOYSA-N 428.326 4.807 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228072065 HUXQCGTXWIMUGE-CQSZACIVSA-N 437.256 4.916 30 10 IJEE CCC[C@@]1([C@H](C#Cc2ccccc2Br)NC)CCN(C(=O)OC(C)(C)C)C1 2235720207 OZZCABXDQJZFQI-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(C)c(I)c1 2235728427 RRDLVYURMXAENB-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1(CNC(=O)OC(C)(C)C)CC=CC1 2235747075 NEGOKQXHUNZRBA-IBGZPJMESA-N 433.390 4.640 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1CC 2235748083 WJONHLXCEROXPY-LRXVAGHRSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Nc1cc(Br)c(C#N)cc1F)C2 2241100913 XMGNOVJBKDBNGW-SCTFDZSOSA-N 438.341 4.954 30 10 IJEE CC1(C)OB(c2ccnc(Oc3cc(F)c(Br)cc3Cl)c2)OC1(C)C 2265861476 ZHEPECHLZJMXSR-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](O)c2c(F)c(F)c(Br)c(F)c2F)C1 2267816347 OXNUPLZGCYTNOP-AWEZNQCLSA-N 440.231 4.652 30 10 IJEE COCC(C)(C)N(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2285397893 KZGDNUALCHIJRU-UHFFFAOYSA-N 446.400 4.966 30 10 IJEE C=CC[C@]1(COc2nc(Br)ccc2OC)CCCCN1C(=O)OC(C)(C)C 2287836692 AXCYUZBZNRRHCI-HXUWFJFHSA-N 441.366 4.967 30 10 IJEE C=C(Cl)C[C@H](OCC(=O)O)c1cc(Br)cc(Br)c1OC 2292718860 XNQHDFQYISXITK-NSHDSACASA-N 428.504 4.505 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccccc2F)C1=C(O)c1ccco1 2296088874 UFWWXKSLLPAAMM-SFHVURJKSA-N 438.411 4.794 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC=CCN1C(=O)OC(C)(C)C 2296219757 RGFBMBYKEILVTO-UXHICEINSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@@H](O)C#Cc3cccc(Br)c3)cc2C1 2296230423 SXKHRDUWAUYQJV-FQEVSTJZSA-N 428.326 4.785 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](N)(C#Cc2cccc(Br)c2)C[C@@H]1C1CCC1 2296231474 DNTHFGPLGRBDMK-DENIHFKCSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2296273635 QHOPEHUUYGRKNC-OXQOHEQNSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@H](O)C#Cc1ccc(Br)cc1 2296289478 SAAHDPPRGVRYTC-YSTOQKLRSA-N 434.374 4.587 30 10 IJEE C[C@H](C[C@H](N)C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296304617 JBSSVWOUFPIZEY-IMFGXOCKSA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300396386 KFEGEZMBLWPALW-BVAGGSTKSA-N 426.601 4.612 30 10 IJEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2304196754 WPIBHPUFYYHHPQ-MRUHUIDDSA-N 436.557 4.852 30 10 IJEE CC1(C)OB(c2ccc(N(CCC(F)(F)F)Cc3ccccc3)c(C#N)c2)OC1(C)C 2317269241 ILCUPDTXKMDZFE-UHFFFAOYSA-N 430.279 4.816 30 10 IJEE C=CCN(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317357385 XLTQBPAPDKMFJM-UHFFFAOYSA-N 430.354 4.528 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3CN(C3CCCC3)CO4)C1=O)cn2C 2322016143 HNPSAUQVCZXTLK-UHFFFAOYSA-N 430.504 4.898 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NCc1ccco1 2323985171 UMMCZTJVTPSNMN-UHFFFAOYSA-N 437.467 4.717 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2325513969 CPROLBUOUQNRLE-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE Cc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCCCO)cc1 2326618557 OPGVSVFZRKRYQL-UHFFFAOYSA-N 430.577 4.882 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OC)c1O 2327976936 ZFXNSIOKPWKYRD-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)c1 2328641141 QAEDLDADUFQKTQ-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(O)c(OCC)c1 2329277909 WUVAUIUARNHUAG-UHFFFAOYSA-N 438.553 4.532 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 2330761529 FPVYMNAIGRQYPH-NRFANRHFSA-N 439.464 4.536 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C3CC3)c(OC)c2)cc1 2330977274 YPLORMUWWICJEA-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccc(F)c1 2331183746 GZWONYRWNZWRLF-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)c1cnccn1 2331211363 QSQXNNBUKWXBRO-UHFFFAOYSA-N 444.487 4.728 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1ccccc1Cl 2331286579 MGYWFMBLKHAHIX-UHFFFAOYSA-N 442.972 4.860 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)c(OC)c1 2331371806 KCVABXSRDDCRJA-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE C[Si](C)(C)C#CC[C@@H](OCCCN)c1sc(Cl)cc1I 2366653599 GLWHZSHZCLQHNO-GFCCVEGCSA-N 441.838 4.684 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc1)C2=O 8823813 HCFWTYLZTRKTAO-UUYOSTAYSA-N 431.400 4.829 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2OCCC)S/C1=N\c1ccc(C(=O)O)c(O)c1 16927258 AYJQIYFYNUFIGC-AXBKCQHESA-N 438.505 4.669 30 10 IJEE Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1[N+](=O)[O-] 21255721 CFKJPDHLQRMEGG-TZIWHRDSSA-N 448.519 4.942 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1OC 34954224 GJODGBQHHCEBHW-KMKOMSMNSA-N 432.428 4.548 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O 41285896 SOOXAULTCORZAH-UCQKPKSFSA-N 429.472 4.905 30 10 IJEE COc1cccc(C(=O)/N=C(/NCc2cccnc2)Nc2cccc(C(F)(F)F)c2)c1 46128677 MWMJAZGNRMDUPC-UHFFFAOYSA-N 428.414 4.507 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 103096760 RYHHPLZCCNJREB-SADKCHQCSA-N 432.407 4.669 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2O)c1 169932294 HIEVXRUTVUSKTM-XMMPIXPASA-N 429.472 4.503 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(OC)c2)cc1 169936117 WZZFKYLIDUKFGP-DEOSSOPVSA-N 438.483 4.912 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2OC)c1 169940150 YSBSMYNHKJJSCD-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(O)cc2)cc1C 169960146 ZKZLQONPQUKHKU-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1cccc(C)c1 169966698 VMTPNENJPVMZKK-XMMPIXPASA-N 442.515 4.853 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1cccs1 169982026 XMIYAAFEYYDEAG-NRFANRHFSA-N 434.517 4.606 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccncc1 170019092 PZNWAGLTNDWGSA-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)cc1C(C)C 170177960 WWNUDXBXKAZXCA-QFIPXVFZSA-N 432.476 4.585 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)c1 170179352 NSHSPFVHXQQQNB-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)c1 170182851 DXZSJTVAWFNTBE-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccnc1 170195873 QQGNUQGBRISGBQ-LJQANCHMSA-N 443.341 4.921 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc3ccccc23)cc1 170220533 QYSIHBJRAWCESE-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@H]3c3ccccc3)ccc2O1 170228591 FTSYFSFGSZDNNJ-FYSMJZIKSA-N 436.467 4.665 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170229512 HKFIJWHNWVHGRE-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)cc1 170275125 GPQYWZZLAKAFGU-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)c1 170305074 XNKZZRKVZUOTMO-JOCHJYFZSA-N 428.444 4.641 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1sccc1C 170317849 FDEGPFZOJBDEBM-FQEVSTJZSA-N 443.565 4.706 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(OC(C)C)cc1 170335440 CVQNQJJTHFZMCD-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CC(=O)Oc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 170408432 ZJJWHAHDKCUSID-JOCHJYFZSA-N 431.444 4.605 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC(C)C)c2)c1 170475635 HMYLRYOIAOJHIG-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE O=C1/C(=C/c2ccccc2)S/C(=N\N=C/c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 210633163 FXBNCJYIJPLALR-IZXFVBNXSA-N 432.461 4.694 30 10 IJEE C=CCn1c(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nc2sccc2c1=O 214107985 PJNJDSDNPNVZHF-CPNJWEJPSA-N 437.590 4.617 30 10 IJEE CCOc1cc(Cl)c(/C=C2\SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 252640029 YPUGYEKMGPAKJC-OAYSZFDTSA-N 446.912 4.679 30 10 IJEE CCCCCCOC(=O)CSc1nnc(N/N=C/c2cccc(Cl)c2Cl)[nH]1 253577957 XSBUCCXRXPUKMJ-KEBDBYFISA-N 430.361 4.773 30 10 IJEE CC(C)(C)C1CCC(C#N)(NC(=O)c2c(F)cccc2I)CC1 470199368 YJFCRATYEKUEOW-UHFFFAOYSA-N 428.289 4.659 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC 476121334 GNVBTFCQIKVRAF-UHFFFAOYSA-N 446.551 4.889 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2Cc2cccc(F)c2)nnc1-c1ccco1 480505548 NSYHZZPBWOOPFA-IBGZPJMESA-N 440.544 4.579 30 10 IJEE CC(=O)c1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(Sc2ccccc2)C1=O 526659227 MCETYGBNBVPLSH-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CCOc1ccc2ccccc2c1/C=N\n1cnnc1SCc1cccc(C(=O)OC)c1 526826619 YWTWQJOVZDIRKI-WGARJPEWSA-N 446.532 4.791 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccccc2OCC(C)C)o1 526829917 GWKMRMUMWSHUTM-FMCGGJTJSA-N 442.541 4.566 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](COCc2ccccc2)C1 549256904 PPSOPKKOJXUGCX-NRFANRHFSA-N 448.567 4.582 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)c2ccc(OC)cc2)CC1 558992306 VFVHEIABWOWVGO-UHFFFAOYSA-N 434.540 4.839 30 10 IJEE COc1cccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cc(Cl)ccc2OC)c1 586259718 ZJAOUWHSZZBRPX-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C[C@@H](NC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cncc(F)c1 679816632 HWDQILKQFKEDAV-SNVBAGLBSA-N 440.315 4.594 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)c1ncc(I)s1 710782504 IUKSNICIBSGCOE-GFCCVEGCSA-N 441.294 4.754 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@H](C)c1cccs1 733200715 KCFDIHQLDVHMCB-IRHXCGBMSA-N 439.606 4.778 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C 744028867 NMLVOIDSGQCTKK-FQEVSTJZSA-N 434.927 4.920 30 10 IJEE N#Cc1cccc(CC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 750432860 OBIFFFSPDNXIOE-JOCHJYFZSA-N 449.850 4.586 30 10 IJEE COc1cc(C(=O)Oc2ccc(C=NOCc3ccc(F)cc3)cc2)cc(OC)c1OC 758142496 JKSAIAIPONLLLI-UHFFFAOYSA-N 439.439 4.621 30 10 IJEE C#CCOc1ccccc1CN[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 772987916 MMGDSSOPYQBPAZ-WXVAWEFUSA-N 448.563 4.692 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 780381508 KXMPLLZIIZBPOH-OAHLLOKOSA-N 426.505 4.529 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)[C@H]1C[C@H]1c1ccccc1Cl 920372605 SKYBXXCBOVTTDO-MSOLQXFVSA-N 441.944 4.522 30 10 IJEE COc1cc(C=Nc2ccc3nc(O)[nH]c3c2)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 1084213061 MAGBHPHSEUFYGW-UHFFFAOYSA-N 429.392 4.600 30 10 IJEE COCOC(C)(C)C#C[C@@H](O)[C@H](C)[C@H]1CC[C@@H]2[C@H](OC(=O)c3ccccc3)CCC[C@]21C 1084293996 KZCGXVQSDRGSNX-ZLFIGRMVSA-N 442.596 4.828 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSc2ccccc2Br)cc1 1125466057 HGSMVGGEMSILCB-UHFFFAOYSA-N 445.382 4.994 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)nn1-c1ccc(C)cc1 1125552983 ZFCRLPMJNPSFRI-UHFFFAOYSA-N 435.325 4.643 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)cc1 1127584159 FMBZHKWIZGPMHI-UHFFFAOYSA-N 431.458 4.758 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)c1 1129226105 HKROQALYAPFJMG-CVEARBPZSA-N 430.595 4.558 30 10 IJEE C=CCc1cc(C(=O)N2[C@H](CNC(=O)OC(C)(C)C)CC[C@H](C)[C@H]2C)cc(OC)c1OC 1131578135 YRVBIAGQXSBXPC-QKLQHJQFSA-N 446.588 4.586 30 10 IJEE CC(C)(C)OC(=O)C1(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCCCC1 1134813860 DSCNYZADVKARGR-UHFFFAOYSA-N 434.536 4.912 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 1148055235 HGXYSGRZXCXJET-IBGZPJMESA-N 444.478 4.680 30 10 IJEE CC#CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 1152930787 QFNNCQQDGVQMEH-JXAWBTAJSA-N 442.515 4.501 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)cc1 1153833970 JOELCINDZBPECF-UHFFFAOYSA-N 441.336 4.793 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 1159439579 BCUZFBYOQINHAE-INIZCTEOSA-N 449.502 4.619 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1)c1ccccc1 1163096402 DBIAAVUANANZDS-QHCPKHFHSA-N 437.499 4.661 30 10 IJEE C=CCC1(O)CCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)CC1 1178198961 TYMUXXAZVGJXTB-HXUWFJFHSA-N 448.332 4.638 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N(CCc1ccccc1)c1ccccc1 1185974105 HCJLSTBFFLECMB-UHFFFAOYSA-N 441.350 4.759 30 10 IJEE C=CCn1c(S[C@@H](Cc2c(F)cccc2F)C(C)=O)nc2sc3c(c2c1=O)CCC3 1188226408 SPQGWOMFYTYLIY-SFHVURJKSA-N 446.544 4.703 30 10 IJEE Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1189761778 BDAWVERKXWWQGG-UHFFFAOYSA-N 446.016 4.637 30 10 IJEE COC(=O)c1cccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1C#N 1194714076 GOIKLGMVIJLTAX-FQEVSTJZSA-N 432.442 4.716 30 10 IJEE C=CCN(C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@H](C)COC 1221209726 RZPHZJSPPQZTED-FOIQADDNSA-N 435.337 4.910 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(Br)cnc1Br 1264230642 CMIMRCQGEYJQQS-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE C#CCN(C(=O)c1cc2c(Cl)nccc2o1)[C@H]1CCOc2ccc(Br)cc21 1265210399 OTIGHVLUCCRMLX-HNNXBMFYSA-N 445.700 4.843 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)cc1OC 1267959895 RIGWXDBEIIMKAZ-ZRDIBKRKSA-N 442.537 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1286281281 FLYGSFBEHZWBGT-BDTNDASRSA-N 444.627 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(C)C 1286291617 DDNJAUZQYFWAHS-RBUKOAKNSA-N 431.625 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1oc(CC)nc1C 1286305289 LNTKCLBVQIRQKZ-AWEZNQCLSA-N 429.977 4.589 30 10 IJEE C#CCCCCn1c(N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)nnc1C(C)(C)C 1286335894 UAKAQPRHNNKSGX-UHFFFAOYSA-N 439.007 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H](C)N1CCC(C)CC1 1286528731 MPCFSAHSDCHJLG-WXVAWEFUSA-N 449.643 4.532 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC(C)C 1286535206 GLTGTEPTEVWHBR-HNNXBMFYSA-N 425.346 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H]2c2ccc(COC)o2)nnc1C(C)(C)C 1286561740 HDOMSZOCBYHRLG-CUWPLCDZSA-N 428.577 4.638 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1286677711 IGBKFEWDBVZBMK-PNJWGLBASA-N 438.616 4.987 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)CC(C)(C)C 1286709241 ZTAMDYTXCSGCNK-UHFFFAOYSA-N 427.412 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ccncc1Cl 1286749300 OVFCPAITNKASAN-IBGZPJMESA-N 429.977 4.871 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2c(C)coc2C)C1 1286813592 XYCWDYUZLONXBL-FQEVSTJZSA-N 438.597 4.918 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@@H](COC)C1 1286826297 DEZQUEGLCBVXTK-GOSISDBHSA-N 426.586 4.863 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286970628 CTMXNJWTXKDGGE-VYDXJSESSA-N 439.457 4.886 30 10 IJEE Cc1ccc(C#N)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 1290143231 IBKIZWVYONWMME-UHFFFAOYSA-N 425.897 4.573 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)[C@H]1C 1300348986 PZEOSIHJOCJZSP-KGLIPLIRSA-N 439.448 4.903 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)Cc1cccs1 1300649662 OHUUJIPQRURNCE-PGRDOPGGSA-N 438.572 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]1CC 1300872285 AQDUCWGRFZJFKA-JTAQYXEDSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC)(CC)C1 1300890431 GSWXHSNCWDATES-ZJSXRUAMSA-N 449.599 4.726 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCC2)C1 1301056382 AJULAMQTZRMGKK-UHFFFAOYSA-N 443.762 4.676 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(COC)CCCCC2)CC1 1301071176 YWULSTZXFQKQKA-UHFFFAOYSA-N 448.409 4.789 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](Cc2ccccc2)C1 1301162831 CQZIEJKBTXUZSI-VJBWXMMDSA-N 438.616 4.673 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(N(C)C(C)=O)CC1 1301175641 GSOYEIGFBCEUEM-UHFFFAOYSA-N 446.599 4.605 30 10 IJEE 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C#CCC1(NC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)CCCCC1 1657652082 NSDPXPFTNMEOTB-UHFFFAOYSA-N 435.524 4.804 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 1660396072 HCCPIWCJLBRNRU-YJBOKZPZSA-N 439.762 4.563 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cnc2onc(C)c2c1)c1ccc(C(F)(F)F)cc1 1661028874 LONQXIPUFIULPQ-KRWDZBQOSA-N 425.432 4.536 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Br)c1ccc(F)c(F)c1 1661498934 KFYAWYDRVAUPQH-QGZVFWFLSA-N 434.277 4.603 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1OCC(F)(F)F)c1ccc(Br)cc1 1665082919 BPGIMYYHNHVLJG-CQSZACIVSA-N 427.220 4.886 30 10 IJEE CC1CCC2(CC1)OC[C@@H](CNC(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)O2 1667391412 HOYOLUHIQYEMRZ-KBXRBSQXSA-N 449.551 4.775 30 10 IJEE C#CCN(C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@@H]1CCCc2ccccc21 1667799167 NUEQDPHNMPJRCS-XMMPIXPASA-N 429.495 4.580 30 10 IJEE C=CCOCCNC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1669017529 HKKBJMCLXDHJRS-GFCCVEGCSA-N 438.290 4.829 30 10 IJEE 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C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705739738 PJOYMXKWXAMNIT-LJQANCHMSA-N 428.552 4.605 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C(C)C)C(C)C)CC1 1705785744 ULHRHNNOPPCHFE-FGZHOGPDSA-N 431.669 4.718 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1705848930 XGSCEYNKDZOOMW-IBGZPJMESA-N 432.012 4.501 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]2CCC[C@H]21)C(C)C 1705866818 ANZVQGDCNOWQQP-YCAMKHIRSA-N 441.664 4.987 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1705882071 KEOKYKBWOIGQOE-MOPGFXCFSA-N 433.478 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2cccs2)C1 1705921295 PICZFATZFKRZPA-INIZCTEOSA-N 432.952 4.823 30 10 IJEE Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H](C)CC#N)c(OCC(F)(F)F)c1 1707499925 HSHNIEDMJVWISK-INIZCTEOSA-N 437.510 4.903 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1722502068 HWXAOXACIUFFGH-CYFREDJKSA-N 440.588 4.777 30 10 IJEE 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C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](c1cccnc1)C(C)C 1740557580 ORDVOZJHIXGNSK-FYYLOGMGSA-N 431.584 4.767 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1740558879 IHNXJEXLDGIHOX-JTAQYXEDSA-N 426.630 4.788 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1csc(CC)n1 1740585203 XZCYDUDXEBQRBQ-UHFFFAOYSA-N 429.977 4.676 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCCC[C@@H]1C 1740648903 LSGZBLYDFXGDDD-UKILVPOCSA-N 431.628 4.547 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC1CCC1)CC1CC1 1740722319 DNINSCVJBGVZOJ-NHCUHLMSSA-N 430.662 4.580 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740815950 PRHRSHMXOZOHTQ-QRQLOZEOSA-N 445.995 4.999 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOCC2CC2)CC1 1740836251 SATCSOZRNPUIEL-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1740843555 KVPGHJDGAKERJT-NHCUHLMSSA-N 441.595 4.741 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740881821 RIYOSHHPWMCOIH-JTSKRJEESA-N 449.020 4.574 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740892283 SUSJMIASMANTPE-SFTDATJTSA-N 439.604 4.842 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC1)C(C)C 1740925714 CYXOSFMAUOVOPI-XMMPIXPASA-N 430.600 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CC(F)(F)Br 1740928243 ZHNOYKKGCSZIOQ-UHFFFAOYSA-N 435.675 4.904 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CCn1cc(Cl)cn1 1740935906 AHQRACKPNDLEOK-UHFFFAOYSA-N 436.947 4.632 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1coc(-c2ccccc2)n1 1741805757 FCIGZYOZKSQGMB-IOMROCGXSA-N 448.571 4.638 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCCSc1nccs1 1748641359 FWPNHXCUCORNFI-IEBWSBKVSA-N 425.627 4.917 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC=C)Cc1ccccc1 1748736162 ZIAONPWLRLCINB-UHFFFAOYSA-N 438.373 4.652 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1749184382 SEWPTNFZMKMQGE-LJQANCHMSA-N 439.604 4.959 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cscn1 1749448018 SAPNBUQZVWTYGV-INIZCTEOSA-N 443.642 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1cccc(NC(=O)OC)c1 1749545075 RULFCFMDFOKHOR-UHFFFAOYSA-N 425.558 4.882 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CCN1CCc2sccc2C1 1749582340 JXSYBGHYVGHOGT-UHFFFAOYSA-N 449.668 4.931 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(OC)CCCCC1 1760102836 SHONUYCNGLVZMJ-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CCC 1760103355 DFRKEJNZFWRFBF-PZJWPPBQSA-N 439.673 4.998 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(CCOCC)CCCC1 1760291346 LLNUGIYSORMZKX-RUZDIDTESA-N 431.584 4.796 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC1 1760303805 ZAEPBUSDSYQGBB-UHFFFAOYSA-N 426.156 4.525 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(F)F 1760339204 ZYRBBSUBFOUMSC-KRWDZBQOSA-N 441.567 4.840 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1760344824 KOZFJRDCQVTBGP-OALUTQOASA-N 434.588 4.524 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCC2)C1 1760373881 DMDGNLKFGYWOOB-UHFFFAOYSA-N 436.000 4.526 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCCS2)CC1 1760406105 SMLFKTGHODKNCQ-FQEVSTJZSA-N 442.629 4.944 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760430040 XQHPJWAONINLRG-QGZVFWFLSA-N 444.885 4.634 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)N(C)C 1760480898 IGGYBMDIQQKZJS-JTHBVZDNSA-N 435.572 4.608 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn2ccc(C)cc2n1 1760488882 JCAXLJYQLXEVSO-IBGZPJMESA-N 446.530 4.740 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1ccc(C)cc1OCC(F)(F)F 1760493054 QTABPGFWNHJNJS-UHFFFAOYSA-N 445.489 4.760 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCC2)s1 1761772048 DCYHJNOWNKFIRD-GOSISDBHSA-N 434.613 4.555 30 10 IJEE Cc1cccc(N2CCN(C(=O)Nc3ncccc3OCc3ccc(C#N)cc3)CC2)c1C 1858828172 YUMIDUSRMSBXGE-UHFFFAOYSA-N 441.535 4.503 30 10 IJEE C[C@@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)OCc1ccccc1 1860463649 MBOGBYKCMBZASP-CYBMUJFWSA-N 425.897 4.598 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(OC)cc1 1861077742 XPOLZHSYSHVNCF-AHNKUGAQSA-N 436.596 4.913 30 10 IJEE CCCCCCCCNC(=O)C(C)(C)NC(=O)COc1ccc(OC)cc1C(C)(C)C 1861625238 SHBWYCWBQDPZLN-UHFFFAOYSA-N 434.621 4.743 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1862433239 XRTBIJSQHXIQBZ-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1O 1862436292 PSQPXHZFAFNKHS-NRFANRHFSA-N 441.911 4.965 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)c1 1862456679 XLOZDLYKODDIHT-OAQYLSRUSA-N 447.453 4.806 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCC)cc1 1862505596 DXCABAWXSLAZKI-JOCHJYFZSA-N 441.499 4.538 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862543351 FEEUZBYILVXVIC-LADGPHEKSA-N 431.532 4.631 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862559465 OSHNYVRDFGWVDL-QHCPKHFHSA-N 433.552 4.636 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(O)c2)=C(O)C(=O)N1CCCc1ccccc1 1862589131 FLJXQTWZUNMCLV-XMMPIXPASA-N 427.500 4.912 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)cc2)c1 1862699773 YIABDZCDSBFRAP-QHCPKHFHSA-N 433.504 4.870 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)ccc2C)C1=O 1863050355 DLROMMPURPQTKM-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1863297278 MOEMXEYRATYYNX-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE C=CCN1C(=O)C(NCCCCCCCCCC)=C(c2ccc(OC)c(OC)c2)C1=O 1863524355 VVUXWDXXUDJMJW-UHFFFAOYSA-N 428.573 4.700 30 10 IJEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1863720789 XMEQKZWFRZEOJK-UHFFFAOYSA-N 435.738 4.745 30 10 IJEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)cc1 1870108024 LGZNSIBGVJHWFX-UHFFFAOYSA-N 428.323 4.639 30 10 IJEE CC(C)(C)c1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc(F)c(F)c2)cc1 1870145640 JIXYOKTXBYTOQC-UHFFFAOYSA-N 439.466 4.512 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(OCC(C)C)c2)c(C)c1 1870153735 GLVYVQPWFFNNON-UHFFFAOYSA-N 446.555 4.581 30 10 IJEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(OC(F)(F)F)cc2)CC1 1870154281 OYLCCCDFWQVRBK-UHFFFAOYSA-N 435.450 4.973 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870385915 RUWLGGQCBUKZES-UHFFFAOYSA-N 438.612 4.683 30 10 IJEE CCCCCCCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCCC2)cc1=O 1870416512 AJABFHBBGLDYCK-UHFFFAOYSA-N 442.600 4.881 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN(C)CCO 1870438861 BAZZXOJBJPOWMU-UHFFFAOYSA-N 435.008 4.865 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870830112 CTAGJVPHVOPXON-UHFFFAOYSA-N 443.588 4.805 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c(OC)c1 1871386760 LQPCJWGBFGYWCV-JJFYIABZSA-N 434.419 4.987 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871434932 WGTQLQMJBNUGFR-SNNLMFDCSA-N 449.503 4.624 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872061941 XMEQBWCGHPAKHD-QFIPXVFZSA-N 446.588 4.899 30 10 IJEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1=O 1873005332 RUEVWZFMJWQUEU-NRFANRHFSA-N 448.051 4.978 30 10 IJEE CCc1ccc(/C=N/n2c(CCCOc3ccccc3C)nnc2SCCCO)cc1 1874251146 OIOSCRQAMNONHQ-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc(OC)c1O 1874299550 HEOSOHMQOSRXHT-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc(OC)c1OC 1874324206 DVIVKDBATCXHOI-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1O 1874417022 UMLJXTGBRMGHIF-PCLIKHOPSA-N 430.533 4.758 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1O 1874462206 MKDQLNFISDOGTJ-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(C)cc1 1874476911 ZEEQVUJQQQGZOF-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2c[nH]c3ccccc23)cc1 1874512310 QZIHFWSXZAACFP-DHRITJCHSA-N 432.553 4.804 30 10 IJEE CCOc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1 1874705980 JWDUENUTJVVAQP-WUXMJOGZSA-N 430.456 4.972 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)c(OC)c2)CSc2nnc(C)n21 1874822234 BERZNWZFPDSPAQ-SFHVURJKSA-N 432.590 4.666 30 10 IJEE CC(C)(SCCCC#N)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892321007 WIYQYCVSPOWOSJ-OAQYLSRUSA-N 438.549 4.794 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1922058955 CDYYWZXGITYJGF-GHTZIAJQSA-N 428.495 4.537 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cnc(NC(=O)OC(C)(C)C)nc1C 1922095845 YEZXJPYHTTUMMM-OAQYLSRUSA-N 426.561 4.946 30 10 IJEE Cc1cc([C@@]2(C(=O)O)C[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 1952773289 UZIOEIIGCGBMGY-SQHAQQRYSA-N 438.483 4.500 30 10 IJEE CC(C)CN(CCC#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984695936 UXYLOVXWZMCBBM-VWLOTQADSA-N 447.579 4.948 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@H]2C1 1996806461 KSVCANOGNOYWKE-PFWHTEFJSA-N 427.545 4.967 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(Cc2ccccc2)CC(F)(F)F)c1 2034720502 GTNBMKAADWQPDG-UHFFFAOYSA-N 435.295 4.559 30 10 IJEE COCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2035394280 GHYKQYQAPJDVAN-UHFFFAOYSA-N 449.523 4.533 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 2038295949 FFSARNOSYJRGFK-XKPFWTEKSA-N 443.544 4.728 30 10 IJEE Cc1cnc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2116080763 IEPSIDVCTCLKSW-FGZHOGPDSA-N 436.405 4.509 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2118192645 RFEVTOWWUCTYSV-LRDDRELGSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNc1cc(Br)cc(F)c1C#N 2163693419 UOSUVWYTOGWYDG-ZDUSSCGKSA-N 438.341 4.909 30 10 IJEE CC(C)CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cnc1C#N 2174712514 QLIFRHAVDFIPAT-MRXNPFEDSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1C#N)[C@H]1CC=CCC1 2196086050 QHKBIDWSUYXBDC-SUMWQHHRSA-N 434.334 4.509 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CC 2224252737 INEHBFKTJRJLJO-RHSMWYFYSA-N 429.403 4.566 30 10 IJEE CCCN[C@H](C#CC1CCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2251412411 WLXKCWVKGTVYJA-XMMPIXPASA-N 427.633 4.575 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2255617576 WAZOXFSICNKSMK-VFUGHAIPSA-N 427.394 4.701 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255634722 UJZZSWXSQOPVNW-KRWDZBQOSA-N 442.796 4.721 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2scc(Br)c2Cl)C3)OC1(C)C 2264616516 PGHFUPWYBDZQIW-QGHHPUGFSA-N 446.603 4.862 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CCCC3)ccc2F)OC1(C)C 2266988354 NTPSCKVAHQQJBZ-UHFFFAOYSA-N 437.364 4.958 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2267089311 CHCUTHTWBGOJMT-UHFFFAOYSA-N 444.381 4.565 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](O)C#Cc3cccc(Br)c3)C[C@@H]21 2296232123 KRKHZEJSVWGOQL-ZULIPRJHSA-N 434.374 4.587 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2296273633 QHOPEHUUYGRKNC-JXFKEZNVSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C 2296311492 XNAYUJMMBYHVOI-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(OC)cc1 2297321651 QXTWBZLBQSGXCM-UHFFFAOYSA-N 427.551 4.698 30 10 IJEE O=C1C(=CNCc2ccccc2Cl)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 2297378259 ALZPTVCBCQWFTK-UHFFFAOYSA-N 444.965 4.565 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccccc3)CC(=O)O4)C2=O)cc1 2297591671 RVIUITIKMPHAAT-LJQANCHMSA-N 426.424 4.530 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2300337309 FFCSUSQUIZFWOX-INIZCTEOSA-N 428.407 4.519 30 10 IJEE CCCCOc1ccc(C=C2SC(=Nc3cc(C(=O)O)ccc3C)NC2=O)cc1OC 2314557512 KYNWDVILKZSWEQ-UHFFFAOYSA-N 440.521 4.772 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2318574594 ODACLBOKFBQDSH-UHFFFAOYSA-N 425.514 4.636 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2321193319 UHQKNWBUZRWBRY-ZDUSSCGKSA-N 448.379 4.745 30 10 IJEE CCCOc1c(C=Nn2c(S)nnc2CCCOc2cccc(C)c2)cccc1OC 2322172129 BFDZDVUQFFMTQK-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE COc1cc(C=NNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)ccc1OC(C)C 2322611834 ZLNNIGRFLIHPBB-UHFFFAOYSA-N 447.322 4.781 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)cc4)cc(C)c3C2=O)cc1 2322680068 BQMXGLMUYSJDRX-UHFFFAOYSA-N 428.440 4.925 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2Cc2ccccc2)cc1OCc1ccc(C)cc1 2323511356 RMWCPSKERHOPTC-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(O)c2CN2CCN(c3ccccc3F)CC2)C1=O 2324128308 GDUWOPXRNUUZIW-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)C(=O)Nc1ccccc1 2324398393 BRDLMCSUMUFTOU-OAHLLOKOSA-N 430.416 4.617 30 10 IJEE CCCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2325031457 GHSFODLGUVPNCC-UHFFFAOYSA-N 438.476 4.842 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccc(Cl)cc1)C2=O 2325117873 LCAOWVCUAURBRC-UHFFFAOYSA-N 430.884 4.613 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)cc1 2325706928 YRWKKJCAMJQBLK-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)c1 2325716922 FAAYDPDCARHPIC-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccncc1 2325834058 SCRJMWPYOOQVHD-UHFFFAOYSA-N 439.585 4.943 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccco2)cc1 2330643369 JZRNJJWRMGHORB-UHFFFAOYSA-N 431.521 4.714 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cncc(C)c1 2331175043 HKHMXBJEJWSTDU-UHFFFAOYSA-N 432.432 4.812 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)cc1 2331226573 RIIHZEXVAGTMEH-UHFFFAOYSA-N 445.976 4.814 30 10 IJEE CCSc1nnc(CCOC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331265808 CWKPRRIHQHXIHH-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE CC(C)(C)c1nnc(SCc2ccccc2F)n1N=Cc1ccc2c(c1)OCCO2 2331396832 GRDRRPXZBWRJNK-UHFFFAOYSA-N 426.517 4.660 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CC2)cc1 2331717278 QWVQCXDIHVBNBD-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)CCOC 2331883137 HDFLHOYBRNVJAF-UHFFFAOYSA-N 444.911 4.924 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)C3(CCC3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369726358 BWCVSJYIAXLLJI-UHFFFAOYSA-N 446.444 4.535 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2 41585094 JOSLBEHEBIHMRO-ULJHMMPZSA-N 426.516 4.639 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cccc(C(F)(F)F)c1 58946166 AIYROJRKXMIVEF-OCDBCJEZSA-N 441.862 4.949 30 10 IJEE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 59265762 HUAOCGLWRKJFTE-UHFFFAOYSA-N 427.961 4.769 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)OCc2ccccc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59310767 NNDOFEMWGSQUGB-MFKUBSTISA-N 439.585 4.644 30 10 IJEE C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccccc3)ccc2O1 102496507 GFGDSWNXNSYHBE-QTOGTAHISA-N 439.511 4.674 30 10 IJEE Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)s2)c(C)c1 109399038 CLWFICSZYKZDGY-UHFFFAOYSA-N 434.540 4.709 30 10 IJEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3ccccc3F)s2)cc1 109887945 GESIEAVPGKMEII-GOSISDBHSA-N 437.521 4.580 30 10 IJEE C=CCc1cc([C@@H]2NC(=S)N(CCC)C(C)=C2C(=O)c2ccccc2)cc(OC)c1O 169928714 HHDFOVXKRMWBIG-QFIPXVFZSA-N 436.577 4.927 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccn2)cc1 169994874 MMVXXNOCKUJZRR-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccnc2)cc1 170002708 WGGANESMEYIKHU-QFIPXVFZSA-N 443.459 4.896 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccncc2)c1 170027201 BHOOWRIBWZPSHF-JOCHJYFZSA-N 438.487 4.666 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCC[C@H](CO)C2)C1=O 170041340 AQNXJHHWTCABAI-NRFANRHFSA-N 426.601 4.612 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)cc1 170049623 MWCIBUYJAITVSK-XMMPIXPASA-N 441.483 4.803 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1C 170132906 SDBAGTCVWUGUHL-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)c(OC)c1 170133405 AIVYGXSLWUUZGO-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)cc1OC 170145319 ALBXRVALPUUTDL-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)c1 170197712 CTURTHUBKSIQHK-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)c1 170197786 BNPYKSWDXJFAFD-QFIPXVFZSA-N 426.428 4.619 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170230035 QORIXWDZMOJUJU-HNAYVOBHSA-N 432.303 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 170237357 BQFOBCMCDVDVAD-LJQANCHMSA-N 438.436 4.574 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(CC)cc2)ccc1Cl 170264795 MTUHCUFYODISFF-OAQYLSRUSA-N 443.927 4.526 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccco1 170288659 JDBJCQPDMFZKSU-LJQANCHMSA-N 438.823 4.933 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)cc1C 170296845 XIPXOLBFKXJTPK-QHCPKHFHSA-N 449.478 4.947 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)o1 170306832 UTPGKKBFCOXGPA-YWZLYKJASA-N 441.867 4.745 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccc(C)o1 170309270 KCXHGAPGHLVJGJ-IBGZPJMESA-N 433.888 4.637 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2sccc2C)c1 170315743 JHBJZFDNVXCHQX-UYAOXDASSA-N 441.549 4.603 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2sccc2C)cc1C 170317903 ZKSLOAINOQJDKA-FQEVSTJZSA-N 443.565 4.769 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(OCC)c2)cc1 170364915 SJHNEQHPWNETLU-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](c1ccccc1)c1nc[nH]n1)c1ccc(C(F)(F)F)cc1 446652812 KBJXUVSRCFEPAN-OALUTQOASA-N 429.446 4.920 30 10 IJEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(Br)cc1 460563738 VITNNHZMOLBALT-QFBILLFUSA-N 449.393 4.682 30 10 IJEE C=CCC[C@H](NC(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1)c1ccc(C(F)(F)F)cc1 474551394 BZTZMHRTPJKRTL-RXVVDRJESA-N 426.479 4.692 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 517465667 AZNAUSMZNHETCV-QGZVFWFLSA-N 446.576 4.764 30 10 IJEE N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 521115992 MLHMPGLSBRHZKM-FQEVSTJZSA-N 448.498 4.703 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1nccc(OCc2ccccc2)n1 536304542 CLEKHMNOOZGCKR-UHFFFAOYSA-N 431.521 4.563 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 549266256 NAMMCPPJNOGROE-SKPFHBQLSA-N 442.629 4.618 30 10 IJEE CCOc1ccc([C@H](O)C[C@@H]2SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 606656204 DBOUZNQRYMHJIK-SJORKVTESA-N 425.337 4.735 30 10 IJEE Cc1csc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 609052992 JNYHYAKXTOBMIN-ZDUSSCGKSA-N 440.912 4.585 30 10 IJEE C=C(COCCC)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705410253 RJKYVVVZLMMFTA-PUHATCMVSA-N 434.621 4.836 30 10 IJEE C#CCN(Cc1ccc(Br)cn1)[C@@H]1CCOc2ccc(Br)cc21 733613601 DBXNPBTYBUYBJH-QGZVFWFLSA-N 436.147 4.566 30 10 IJEE O=C(/C=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc(C(F)(F)F)nc1O 743058398 YIGIPUOXLFTFFC-JHAQOBCDSA-N 427.806 4.913 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 746070499 RZTOIEYFSOBBCB-KUHUBIRLSA-N 425.872 4.969 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 761831769 OJWZWORSHSYVMW-MOSHPQCFSA-N 433.861 4.502 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1F 790276327 KTZFPRWTFXTHIW-HXUWFJFHSA-N 441.528 4.761 30 10 IJEE CC[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Oc1ccccc1C(F)(F)F 1126817102 CSCBSHIFSSQUDL-ZDUSSCGKSA-N 431.336 4.578 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)[C@@H](CCC)C2)cc1OC 1127442025 ZXMBBGKVLKPRQM-RQOTYCFOSA-N 434.580 4.786 30 10 IJEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 1129156252 GOCXBTVAPBILKC-JOCHJYFZSA-N 427.895 4.871 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)CCCN3CCN(c4ccccc4)CC3)c(C#N)c2[C@@H]1C 1129354949 CPNAPGWQQUOWFB-RTBURBONSA-N 436.625 4.846 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)NCc3cccc(Oc4ccccc4F)c3)C2)c(F)c1 1130716183 CKLDWSZJYZLIEE-IBGZPJMESA-N 433.458 4.771 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2)cn1 1163542715 MUHZQATXACTNLN-IBGZPJMESA-N 431.920 4.526 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2CCCC2)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164428116 BYMISICJCCNABN-BEFAXECRSA-N 445.654 4.508 30 10 IJEE C=CCOc1c(Br)cc(CNC2CCC(C)(N(C)C)CC2)cc1OCC 1179391585 UTGGLPSWGUCQOV-UHFFFAOYSA-N 425.411 4.765 30 10 IJEE CN(C)CCCn1c(S[C@H](C#N)C2CCCCC2)nc2sc3c(c2c1=O)CCCC3 1188224464 AIIKVBKTAPLQBT-LJQANCHMSA-N 444.670 4.853 30 10 IJEE Cc1cc(C2(NS(=O)(=O)Cc3ccc(C#N)cc3)CCCCC2)ccc1Br 1212184310 DTFGHCUNHGRVOG-UHFFFAOYSA-N 447.398 4.908 30 10 IJEE COC(=O)c1cc(Br)cc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1C 1219184906 AEVQOBBKINJVNM-QGZVFWFLSA-N 430.302 4.711 30 10 IJEE C=CC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccncc1 1228098451 XIJJGAQXCVOCSV-NRFANRHFSA-N 436.556 4.886 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1230499200 SGHPAIPWBCUMGD-RBUKOAKNSA-N 433.733 4.560 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 1252449696 UEMOWLQAEOSAPZ-HSZRJFAPSA-N 433.552 4.756 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cnn(-c2ccc(F)cc2)n1 1265007729 CSCCOOSQUXXGEN-UHFFFAOYSA-N 431.858 4.778 30 10 IJEE COC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H]1c1ccccc1 1275013929 DJPIRPHMRPDPAV-JWQCQUIFSA-N 440.499 4.574 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CCCC1 1279011480 QDWVMDCQPKVXIF-UHFFFAOYSA-N 432.630 4.896 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1nncn1C 1286318180 YNUGQSLSGISGML-NRFANRHFSA-N 431.588 4.516 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1286347719 QALJVYGMTUBMLG-OALUTQOASA-N 449.368 4.843 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCN1CCCC[C@@H]1C 1286454991 QNLDIRNONJLPQX-FQEVSTJZSA-N 425.596 4.619 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccccc1C 1286538083 IFVANEDGJHUAFV-UHFFFAOYSA-N 426.362 4.892 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(C)(C)O 1286570080 MFTKGPXEOAILFD-UHFFFAOYSA-N 425.602 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)CN1CCCCC1 1286570875 CQQVTJWGWQZLQD-QFIPXVFZSA-N 447.631 4.655 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1286651902 OOKYNIBOUGLKDZ-UHFFFAOYSA-N 429.996 4.969 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286687504 JXLOHHIDZKQTEA-KSSFIOAISA-N 444.448 4.659 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1286694378 QFWIPBUMIBMELO-UHFFFAOYSA-N 447.583 4.654 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1286702366 PRBNTSDNCWEWOF-SFHVURJKSA-N 444.004 4.911 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)CCC 1286747714 PLNMJVHUPFIMRR-HSZRJFAPSA-N 443.954 4.876 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCCC1(C)C 1286763076 BZJQKMQBGVQWEI-AREMUKBSSA-N 445.567 4.586 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)C1 1287233945 AQDSURICSSGVBW-QHCPKHFHSA-N 434.632 4.954 30 10 IJEE CN(CC1CCCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@@H](F)C1 1298535575 AEIDUUDMKXKFOQ-LEWJYISDSA-N 425.552 4.883 30 10 IJEE C#C[C@@H](NC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1)c1ccccc1 1299869309 HTCKOBLKDQTVHN-OAQYLSRUSA-N 446.553 4.806 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(C)C 1300324646 IUOJWGZAAZHTJT-VQIMIIECSA-N 444.004 4.578 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1300394454 QIDSAPONQIRPDH-PZJWPPBQSA-N 447.583 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCC1CCC(OC)CC1 1300557484 URWPXSCJSIRGEQ-DWJCEPTDSA-N 432.612 4.878 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1300780297 PAOUMLOTXJNBKC-AMZDPNTKSA-N 435.616 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1300871125 XJZYJYSSQWSACD-CIWUYKSXSA-N 445.405 4.781 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(Cc1ccccc1OC)C[C@@H]1CCCO1 1300958939 ZMBHPTHYNSSBFH-NRFANRHFSA-N 438.597 4.701 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 1301061299 RWUROGLCDMDKPO-TZIWHRDSSA-N 445.007 4.829 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncccc1C 1301414617 GTNGEDLJDDNLID-UHFFFAOYSA-N 432.355 4.642 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2cccn2)CC1 1301597536 RSHHSNIZMDOVFS-UHFFFAOYSA-N 443.020 4.631 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301601927 KAKRKVBRUANMSZ-CVEARBPZSA-N 436.984 4.520 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1CCCCO1 1306292550 BDGBPIOMTGCDTI-NNWRFLSQSA-N 437.588 4.703 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2CC)CC1 1306508094 BFYLGRNFWHEZFP-IRLDBZIGSA-N 448.615 4.528 30 10 IJEE CCOC(=O)c1sc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc1C 1307345012 BKXBZMQLCHLSCB-UHFFFAOYSA-N 435.596 4.561 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 1307501702 STOQJMZUIMCLOD-MOPGFXCFSA-N 432.033 4.683 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCCSc1ccccc1Br 1312045973 MOOHEDUWCQAJKG-MAUKXSAKSA-N 427.408 4.602 30 10 IJEE CCCOc1cccc(CCn2c(-c3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)c1 1313513900 AYXSHIGNAAHTSJ-RUZDIDTESA-N 430.556 4.502 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCCC[C@H]1C 1315321535 FQKWOKRDPZHKJK-QZTJIDSGSA-N 445.011 4.610 30 10 IJEE C#CC[C@]1(C(=O)N(C)Cc2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1349990576 HTNCLRUHKQMCSW-OAQYLSRUSA-N 425.356 4.745 30 10 IJEE CCC(CC)N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1=O 1351170350 DPHNLCIJDTVTSE-INIZCTEOSA-N 425.916 4.980 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 1355306485 AJZDFMKXMBBWBW-UHFFFAOYSA-N 430.455 4.943 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C1CC(C(C)(C)C)C1 1358899859 WUILWEIHTHOFKR-UGXKVIGPSA-N 429.609 4.805 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1358930760 CWBQWQAQGTVYSQ-FXAWDEMLSA-N 437.802 4.956 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO[C@H]1C(C)C 1358988368 MGIYLJRTQVEVOT-QPPBQGQZSA-N 430.552 4.605 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)[C@@H](C)CC 1359004166 MGGRNRKFVMZAKM-HNAYVOBHSA-N 433.394 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OC)C1 1359093531 OUXKGXFBUCFGLD-MZYLBHOOSA-N 438.616 4.839 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCC(C)CC2)CC1 1359163343 ZYLALRQZDYDTPF-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1359190779 CEEKQKZPPXVXDT-XMMPIXPASA-N 435.660 4.978 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(Cl)=C(Cl)C1 1359205704 HIAOAGVXHCZSBS-UHFFFAOYSA-N 440.400 4.525 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CCOC(C)C)C1CC1 1359247490 DKZNUTCAPIYARD-UHFFFAOYSA-N 439.785 4.941 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)N(C)C 1359262337 PSZVWNZBNDCRBI-LJQANCHMSA-N 437.569 4.997 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](C)C1 1359336224 INXQCVXSHQKFMF-QGZVFWFLSA-N 427.618 4.693 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@H](C)CC[C@H]2C)c1 1435510242 PEVSFBKDPVOJIO-IAGOWNOFSA-N 432.973 4.734 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 1436195168 SLXQNFYILPGNPE-SFHVURJKSA-N 447.362 4.727 30 10 IJEE C#C[C@@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C 1436644491 PJEGKVNNDAHDGM-CQSZACIVSA-N 445.375 4.780 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 1442752516 IGDWKFKUVSMHFZ-UHFFFAOYSA-N 436.552 4.687 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C1 1454048846 KEMRTNARMQABMG-GOSISDBHSA-N 431.561 4.977 30 10 IJEE COc1ccc(Br)cc1CN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2 1458267678 HVDGKFHNNKACNO-UHFFFAOYSA-N 439.357 4.891 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C(F)(F)F)cc1 1460039024 GBHURQMBWVLZBI-BPQIPLTHSA-N 428.328 4.997 30 10 IJEE Cc1nc(SCC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)c(C#N)c(C)c1C 1461918010 FWBDNJVZDWNKTI-UHFFFAOYSA-N 427.879 4.959 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1 1467491409 TYICUGJCIZRUAO-UHFFFAOYSA-N 427.508 4.958 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](CC)c2ccccn2)nnc1-c1ccc(Cl)cc1 1469176941 LLDSNPBETYRNFB-QGZVFWFLSA-N 427.961 4.539 30 10 IJEE Cc1cc2c(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)n[nH]c2cc1C#N 1469794669 ALNUGOMKTYLEHR-UHFFFAOYSA-N 448.280 4.945 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 1473114601 BFLHMWGTWQHVCW-UHFFFAOYSA-N 440.334 4.654 30 10 IJEE C=CCCCCCCCNC(=O)Nc1cc(I)cc(C(=O)OC)c1 1476353689 HJXUOCXGWDBWBF-UHFFFAOYSA-N 444.313 4.726 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCCC[C@@H]1Oc1ccc(OCCC)cc1 1477862678 PJYGPWRLIKVFMK-ZCYQVOJMSA-N 436.552 4.677 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1493026540 DULXGTLNXQQVIH-FYYLOGMGSA-N 448.571 4.509 30 10 IJEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CCO1 1497615856 FDVIQRWVIFBPAN-OAQYLSRUSA-N 427.961 4.585 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cc(C(CC)CC)no1 1507521043 UVATXCKVTGUHRI-KRWDZBQOSA-N 443.555 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCN1C1CCCCC1 1507544120 SJFIPZUAOKNYIT-UPVQGACJSA-N 449.643 4.729 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1507747500 HOLKIODZMIWZQI-RBUKOAKNSA-N 445.032 4.608 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1507749780 ZUFMMNMCNZGPEN-QZTJIDSGSA-N 428.671 4.939 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(Br)cc1 1507804619 HIVLCMSXFDGRPS-GHTZIAJQSA-N 445.405 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 1507808731 ZFRRRAWQDZSUJQ-WPYKKVEZSA-N 444.620 4.567 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1507840684 OKQXCTPRPAKTDR-UHFFFAOYSA-N 436.556 4.728 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCCCOC)cc2)CC1 1507889231 MZQNWRWBTIAEHV-UHFFFAOYSA-N 438.597 4.550 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1c(F)cc(F)c(F)c1F 1507929447 QLBIGQIKABDBBK-HNNXBMFYSA-N 440.485 4.959 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1507939266 OGQXBBPHBDGGGN-UXHICEINSA-N 429.634 4.633 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1507943509 ZFAZGTKRDKVWOV-KBPBESRZSA-N 425.396 4.597 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2nc(C)cs2)CC1 1507945425 BELHKCLQZAEUMM-UHFFFAOYSA-N 428.993 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@H](C)N(C)C1CC1 1508009716 XRLXISPFIZKBBR-KRWDZBQOSA-N 425.577 4.821 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC1(N2CCSCC2)CCCC1 1508013871 SJZDKGIPODDDLE-UHFFFAOYSA-N 437.657 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1OC 1508015089 JRILGEUKCAWYQY-HKUYNNGSSA-N 431.378 4.701 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCCC2(F)F)C1 1508118403 VJYBYUZDWMLAHM-QUCCMNQESA-N 432.515 4.561 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1nc(-c2ccccc2)cs1 1522119558 QJTCOIBNLHTPJL-INIZCTEOSA-N 439.487 4.660 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1 1527975550 VZHZJDICOUGOKS-UHFFFAOYSA-N 427.426 4.588 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 1528714889 ZMRDBUMYSLSHLT-MRXNPFEDSA-N 446.370 4.797 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cccc([N+](=O)[O-])c2Br)C(F)(F)F)cc1 1532570558 UWTNEBGCBUBOFW-HNNXBMFYSA-N 428.160 4.799 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccccc2F)n1)[C@H](Cc1ccccc1)C(=O)OCC 1537317326 QWDIRZNQQGJLHG-OAQYLSRUSA-N 438.524 4.752 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)cc21 1538654062 RSYCHXIDGTXLTE-UHFFFAOYSA-N 427.464 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cccs1 1539622384 FNLJKYMWJHFNCH-XLIONFOSSA-N 444.004 4.715 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1539873802 DQBBYVFQMCYKQY-NXMSCROESA-N 428.552 4.511 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCC(=O)N(C)C)CC1 1539877753 DJHYGCAXDOZZJR-UHFFFAOYSA-N 441.645 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1539907302 YUULGKLNUTZJKU-IBGZPJMESA-N 447.505 4.967 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](OC)C1 1539975572 WOSPVYFIAZVMBG-SLFFLAALSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1539981453 IMKMQIGWGYLYJQ-UHFFFAOYSA-N 431.968 4.622 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1540101816 MPZDXCYFRHOOOO-OAHLLOKOSA-N 439.585 4.686 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCC1CCCC1 1540119552 DNSCCLUUJXYZAK-UHFFFAOYSA-N 446.599 4.549 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC1(C)C 1540133488 GRKIFCRSIYCFMQ-CPJSRVTESA-N 442.579 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1Cc1cccc(C(F)(F)F)n1 1540174457 MJDAQUZMVRECAD-UHFFFAOYSA-N 443.473 4.806 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2scnc2C)n1 1542845462 GGBWQRGHBKQGJK-CQSZACIVSA-N 449.609 4.787 30 10 IJEE C[C@H](C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)n1nnc(-c2ccccc2)n1 1543196748 DLXUZPUCLDUKEY-MRXNPFEDSA-N 426.505 4.563 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)s1 1545622691 HTMBKUOGGFSYOR-DOMZBBRYSA-N 429.032 4.889 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 1560502240 DUHZZDKVQJVZCS-NRFANRHFSA-N 425.573 4.614 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 1563702582 ACGZVRBBYFFCFT-PXNSSMCTSA-N 435.406 4.931 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 1583506006 MEDOCAJEHIGEGY-UHFFFAOYSA-N 446.370 4.937 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1584358789 CTIDLRHGKFIIFV-XXBNENTESA-N 439.600 4.623 30 10 IJEE C=CC[C@@H]1N(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CCCC1(C)C 1586319498 IGXNKDINOAVECF-QFIPXVFZSA-N 443.632 4.607 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(c2ccc(Br)c(C)c2)CCCCC1 1586782117 BDFYRDUFBXJVAZ-UHFFFAOYSA-N 448.401 4.763 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](C)[C@H](C)C1 1586813953 ZNWRHJMTHCLCCQ-RRQZXNHTSA-N 432.564 4.974 30 10 IJEE C=CC1(CC(=O)N[C@@H](CC)Cc2ccccc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1586929945 ZBOJZWOUKOJVFI-KRWDZBQOSA-N 440.506 4.956 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1587705440 DNCHLNHBLOXWHH-NRFANRHFSA-N 446.599 4.572 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccccc2[C@@H]1C 1587712389 SNAUZFDMAOSYAY-INIZCTEOSA-N 438.373 4.963 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1588292908 GJUOGMLVCIJDOA-NZQKXSOJSA-N 431.584 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN(CC(C)C)C1 1589224394 ZGOKFWHDRFKTRE-YIXXDRMTSA-N 433.644 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](SC)C(C)(C)C 1589625397 DGBYDVUDDSOYGN-HXUWFJFHSA-N 430.618 4.896 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C 1594697450 BPYKBQDHCWZCNF-OAHLLOKOSA-N 449.393 4.686 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1594720578 PNHBEDADLCAENY-LJQANCHMSA-N 434.588 4.514 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1594752242 CIBJOXVKMMHZNB-UHFFFAOYSA-N 442.007 4.593 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1594858151 XDALRQREESPHPP-GCJKJVERSA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCSC1 1595149552 QFFMTCCHIHHMMZ-KRWDZBQOSA-N 426.611 4.961 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1CCc1coc(-c2ccc(C)cc2)n1 1595200441 CPJILFLXVSOHSF-UHFFFAOYSA-N 426.524 4.725 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCSCC(C)C)C1 1595700032 KBJGCILNFLNSCW-HXUWFJFHSA-N 437.613 4.664 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Br)s2)C1 1612835335 FIAZXSZKJZVCMK-AWEZNQCLSA-N 442.386 4.730 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2OCCC)S/C1=N/c1ccc(O)cc1C(=O)O 1614232703 XLYZBKBJFZASAD-QVAAVVQOSA-N 438.505 4.669 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 1617865551 XRYDZMRZGCZXJH-HXUWFJFHSA-N 441.535 4.731 30 10 IJEE N#Cc1ccc(NC(=O)CCN[C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1Cl 1620472968 HZSZOMJSNPATIB-GOSISDBHSA-N 426.731 4.560 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3s2)CC1 1624572737 HCOGVXOPCFXQLA-GOSISDBHSA-N 429.467 4.943 30 10 IJEE C#CCC[C@H](O)CNC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1624786821 MDDUGCNREGGUOP-INIZCTEOSA-N 437.487 4.526 30 10 IJEE CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1=O 1625291948 GDJRLDCDUXSVLS-RDJZCZTQSA-N 425.916 4.980 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 1637132600 MGBNTUMUSCMHLQ-IBGZPJMESA-N 434.989 4.995 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F 1638986748 IVJPSLJNILUPLD-GHTZIAJQSA-N 430.495 4.834 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)C1 1640066261 LQKIVNAWZOQEIM-QGZVFWFLSA-N 432.973 4.593 30 10 IJEE CC(C)c1ccc(CN2CCN(C(=O)CSc3ccc(Cl)cc3C#N)CC2)cc1 1640956878 AJKUYKQKMCWHLJ-UHFFFAOYSA-N 428.001 4.772 30 10 IJEE C=CCOc1cccnc1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 1641135983 QKHUHYGIQCFEFJ-UHFFFAOYSA-N 427.548 4.839 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C 1641729628 SYNFOARUGMIXFV-FFZOFVMBSA-N 436.980 4.878 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc(Cl)cc(Br)c1 1642895869 UQYNYCJTDLZKGZ-UHFFFAOYSA-N 446.732 4.783 30 10 IJEE C#CCN(c1cc(C(F)(F)F)cc(C#N)n1)[C@@H]1CCOc2ccc(Br)cc21 1655142700 IHTQKEABDACZTA-MRXNPFEDSA-N 436.231 4.698 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1ccc(C)cc1F 1661876418 UXYGMPWIVZECSQ-UHFFFAOYSA-N 430.314 4.554 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1OC 1662465711 GEMKWDJFOBRGSS-QGZVFWFLSA-N 446.922 4.648 30 10 IJEE C=CC(C)(C)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1666404679 ISZMREOKUWWAMB-UHFFFAOYSA-N 445.585 4.843 30 10 IJEE CC[C@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)c1ccc(OC)c(OC)c1 1669169487 FPSZJHPVQHDDSI-KRWDZBQOSA-N 430.551 4.528 30 10 IJEE COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1C#N 1673850146 GMTCRBLQKGJZHZ-VWLOTQADSA-N 443.503 4.764 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccccc1 1674192774 GSUKKUDCZMJRHJ-HXUWFJFHSA-N 431.458 4.817 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-c2ccccc2F)nn1)c1ccc(Br)cc1 1675037853 DCBPDJZHPUPPMV-QGZVFWFLSA-N 425.261 4.541 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)n1 1675716370 IDQQCTCJWQRHHB-JOCHJYFZSA-N 449.942 4.813 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1COc2cccc(Br)c2C1)c1ccc(F)c(F)c1 1680284348 MKJIKJXMXDYGKC-YJYMSZOUSA-N 437.284 4.647 30 10 IJEE Cc1ccc(C[C@H]2CCCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)C2)cc1 1680622056 BQVLPVMMJFHMNE-DNFKCEGXSA-N 432.568 4.616 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1680822960 DNIDKYZEEJJDDI-IIBYNOLFSA-N 429.351 4.821 30 10 IJEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CCCc2ccccc21 1683152091 FGYAENRZHIZNQC-VWLOTQADSA-N 429.564 4.535 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOCCC(C)C 1689952636 NLSUFSMLOFQSIO-UHFFFAOYSA-N 433.394 4.538 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1Cc1ccc(Cl)s1 1690086319 ZVNASYOXHBGWTF-UHFFFAOYSA-N 433.002 4.802 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1nccs1 1690089488 CCJYVPLWFALPHB-XLIONFOSSA-N 439.560 4.559 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](OC)c2ccccc2)CC1 1690417043 BTYLEQZUMLRJNX-DNVJHFABSA-N 438.616 4.987 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1C[C@H]1CCN(CC(F)(F)F)C1 1690563095 GXRIFQUBRMACGM-QUCCMNQESA-N 435.538 4.868 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCCOC(F)(F)F 1690563362 OTXAUORLCGOFLZ-UHFFFAOYSA-N 431.462 4.768 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccncc1 1690576046 LKRMDNCRROZXMP-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)ccn1 1696530282 DLQJEBGOFLYVNL-MSOLQXFVSA-N 432.597 4.854 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCOC2(CCCCCC2)C1 1705518025 JTTONKWCGRBGLH-UHFFFAOYSA-N 442.554 4.880 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1705558218 NNFYUBGRTSBLES-YLJYHZDGSA-N 433.021 4.889 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOC1CCCCCC1 1705574321 AQLVQEHZSVXRJE-UHFFFAOYSA-N 441.579 4.614 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1705664607 VGARBJYXFMOQON-KNQAVFIVSA-N 438.641 4.900 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1705732225 RTXRYSPGHKWCQJ-DEOSSOPVSA-N 437.544 4.773 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)c1ccco1 1705735614 BMHGEDWCMITYAL-GOSISDBHSA-N 433.512 4.983 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CC)C1 1705758638 BMSUXDBLDNQPNL-AWEZNQCLSA-N 431.751 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(C)(C)OC)CC1 1705777996 XGPNOJYYZXHPTR-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1705778181 MTQFWLYGITXCMV-QFIPXVFZSA-N 437.613 4.721 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@](C)(O)C1CCCCC1 1705864721 KNRVQAWRIWYQCF-RDGATRHJSA-N 442.579 4.793 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@](C)(C#N)C1 1705913677 UXAOTZLSDZRIKZ-XMMPIXPASA-N 433.581 4.674 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)C1 1710935597 DASGZSAUJSVNTE-RBUKOAKNSA-N 438.626 4.626 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccnc1OCCCC 1722345269 HCFOKODGKKSDQH-GOSISDBHSA-N 449.624 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCN(C(C)C)C1 1722390163 ZOGASXZKBBKRGC-QHCPKHFHSA-N 445.655 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1722465944 GGGZZKNPWLJKJY-MRCUYLHHSA-N 433.644 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1722578679 WRGPACRGCRHEQQ-UHFFFAOYSA-N 444.583 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722586276 ASLCCROYXCVPNU-VQTJNVASSA-N 434.632 4.958 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1722617265 HVFXLOIXIYEVJH-DHLKQENFSA-N 444.627 4.719 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1722677792 FMOAIFMTRZTSIX-JTHBVZDNSA-N 438.616 4.863 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722687495 GERYYAYYIHBLHG-QFIPXVFZSA-N 437.632 4.567 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCC[C@H]1C 1722692709 UWRNIXPMRVQITR-FQRUVTKNSA-N 438.616 4.884 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1722741481 NCAMDHFQJFPCRF-FQEVSTJZSA-N 443.020 4.517 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC2(C)CC2)c1 1730029821 HZCRTFMGLAZZRY-AWEZNQCLSA-N 432.366 4.502 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)C(C)(C)C 1731055595 BJNGJBJARKYYGB-WMZHIEFXSA-N 445.608 4.904 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740570836 UCINEKLXZZKONJ-QHCPKHFHSA-N 449.643 4.850 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)[C@H]1C 1740582797 IJTAMJCOGVGTFT-ZIAGYGMSSA-N 437.382 4.590 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740634872 HFFPOBWGEALXOV-WIYYLYMNSA-N 439.003 4.901 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1740743858 GYPYVAXFTCQRPT-SUMWQHHRSA-N 441.320 4.904 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)CCC 1740758441 XQNOCBJMFKOQDO-LGVFNWMJSA-N 448.615 4.984 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2CN(C)C(C)C)CC1 1740828377 HNWVOCZJTRHYJG-UHFFFAOYSA-N 435.641 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740851129 VPYDYCWQACXHKD-UHFFFAOYSA-N 433.604 4.830 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740852313 LFLZFXXTABPCPB-NHCUHLMSSA-N 425.621 4.687 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740872392 IIHJMSAJMALGJB-UHFFFAOYSA-N 445.892 4.587 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCc1c(C)noc1C 1740914509 TVNKEHZFFOTGAR-UHFFFAOYSA-N 437.588 4.915 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC1(SC)CCC1 1740916063 BSNXGWFZRPLROD-OAQYLSRUSA-N 437.613 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CC1(SC)CCC1 1740926226 XFFDEFWBJCDIMK-UHFFFAOYSA-N 436.423 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1Cc1ccc(F)cc1C(F)(F)F 1740933228 KTIUMXFCRPWPTH-UHFFFAOYSA-N 431.437 4.649 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)c1nc(C)cs1 1740938936 OQXJSYZPWLOYKM-AWEZNQCLSA-N 449.983 4.945 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1741003836 GOIWFLRQYQVSTJ-WIYYLYMNSA-N 440.638 4.816 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)(C)C 1748639540 JBEHWYBQSBXICT-MSOLQXFVSA-N 432.996 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)N(CC)CC 1748655655 DEIOJYGSIWAIGH-NQIIRXRSSA-N 436.991 4.535 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@H]1CCCCO1 1748828491 FIRHQVOHPCNYAF-QGZVFWFLSA-N 438.984 4.845 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc(C2CC2)cs1 1748868098 REYKHZQSRIXHEZ-OAQYLSRUSA-N 429.593 4.665 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C1CCCCC1)N(C)C 1748869254 ZSFPNZLGYIXICI-HSZRJFAPSA-N 438.019 4.572 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@@H]1CC 1748907890 PEQIOUQLOZYAFM-FPOVZHCZSA-N 444.023 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1749355381 GZGBQCHDPFTSQB-DEOSSOPVSA-N 442.629 4.898 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749414289 ARMYXKATOWZWIF-NRFANRHFSA-N 439.604 4.843 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](SC)C1 1749456808 AXLRMIZMNXMBEA-FQEVSTJZSA-N 435.037 4.837 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2CCCc2cccc(C)n2)cc1 1751581339 AVGQLZAZIVVBPY-FQEVSTJZSA-N 434.613 4.953 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CN(C)C 1760097224 BUUCNVAEYRWGQA-RTBURBONSA-N 446.039 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](c1ccco1)N(C)C 1760106454 LFGWIUDRHIOLLN-KBXCAEBGSA-N 432.355 4.606 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCN1C1CCCCC1 1760179261 CQSVSDBQZDXQIW-JOCHJYFZSA-N 437.657 4.745 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1 1760239731 TYVKJXNPFHWXBK-OAHLLOKOSA-N 432.018 4.944 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@H](C)C1 1760243519 MXJDPSHWDDNSOU-UYAOXDASSA-N 438.572 4.524 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760284435 LZEDAAFPCQBESB-GHTZIAJQSA-N 426.630 4.855 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C1CCC1 1760303689 VMQIDSXNSFTBRJ-QGZVFWFLSA-N 432.322 4.531 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1760346454 AZQZSIVXJHRZTL-WOJBJXKFSA-N 443.586 4.814 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@H]1CC 1760351230 CEQXAMGMBNVAEG-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760410720 ONFFBSKKUODQBB-QFIPXVFZSA-N 433.556 4.529 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1760430024 XFXQQPSDCYLWRM-UHFFFAOYSA-N 441.620 4.533 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1760457741 FLDWKZPTOYAVPV-FQEVSTJZSA-N 427.593 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1760492985 OEODQNRTKGPHPP-UHFFFAOYSA-N 430.487 4.826 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H]1CCCN(CC(C)C)C1 1760498586 XBEQLKLGPKHCAP-NRFANRHFSA-N 427.637 4.772 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1760510745 MXDKQCVWYHTYSD-MTQWCTHYSA-N 429.609 4.594 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760560247 QQSOAUMKHKMPGP-OALUTQOASA-N 437.613 4.725 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C1 1764331789 BZMPMMSCJNCYQB-QPPBQGQZSA-N 434.613 4.808 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCOc1c(C)cccc1C 1772523020 IMKYJARDVOGSAU-XMMPIXPASA-N 435.959 4.681 30 10 IJEE COc1ccc(CCn2c(O)c(N=Nc3ccc(C)cc3)c(C)c(C#N)c2=O)cc1OC 1772740919 NCSKLOHBHSGVFR-UHFFFAOYSA-N 432.480 4.718 30 10 IJEE COc1cc(/C=C2\SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)ccc1O 1772757233 BQORNZCUTGTISD-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(C(C)(C)C)cc1 1861813431 MMSZWRXVNOVYEM-PKTZIBPZSA-N 430.633 4.816 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 1862443575 QCCDEMFXRZCKAO-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1[N+](=O)[O-] 1862460778 PZZXJMZCFNCNJN-IBGZPJMESA-N 448.397 4.637 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862688087 RUWAHYDFBHUFSC-XMMPIXPASA-N 443.499 4.612 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 1862735414 KELOLBPTSGPHRI-MMACOIQUSA-N 438.455 4.891 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2)=C(c2ccc(C)c(C)c2)C1=O 1863255958 SSJRURPANIHTSZ-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccc(F)cc2)C1=O 1863507272 HPJMUVKIWJOHAQ-UHFFFAOYSA-N 432.580 4.799 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccccc2F)C1=O 1863644609 MYJHXJBLUPDOMO-UHFFFAOYSA-N 432.580 4.799 30 10 IJEE C[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866771878 KBHKHHDLCMKXHQ-OPAMFIHVSA-N 433.458 4.502 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 1868119539 TZIKZNUIWFTXHF-IBGZPJMESA-N 430.342 4.626 30 10 IJEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)CCCOc1ccccc1Cl 1870145015 QXHGHHKTTSJOND-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccccc2CC)cc1OCC 1870153178 GCVUOGPYGAGNJW-UHFFFAOYSA-N 433.512 4.531 30 10 IJEE CCCOc1cn(Cc2ccncc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180189 URRDKPTWEJWUCR-UHFFFAOYSA-N 434.565 4.565 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CSc2ccccc2)cc1=O 1870244466 QSZNMFLQOJNXHI-UHFFFAOYSA-N 437.561 4.965 30 10 IJEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CSc1ccccc1 1870255693 RWHRFLIEBGRUFX-LJQANCHMSA-N 434.561 4.583 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN(CCO)CCCC)cc1=O 1870410727 CQXJRJHCSIMGNG-UHFFFAOYSA-N 446.607 4.979 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCCC1 1870482557 UWTJTJDYKOTLHK-UHFFFAOYSA-N 434.621 4.915 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1871004696 SIKLFZKVZCKTIY-UHFFFAOYSA-N 446.547 4.627 30 10 IJEE C#CCOc1cn(Cc2ccccn2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871007571 IUBFMGROPCRINF-UHFFFAOYSA-N 447.844 4.588 30 10 IJEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871054881 QRZJUGYXFBJINL-UHFFFAOYSA-N 447.535 4.501 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CNc1ccccc1C 1871163734 RHJDYPSZGOHKJQ-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE CN1CCC(N(C)Cc2c(O)ccc3c2O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)CC1 1871395091 FSDUNVDBBUERFJ-JLPGSUDCSA-N 434.580 4.832 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1cccc(Br)c1)C2=O 1871412942 MQKKGYMZGLYMRS-PDGQHHTCSA-N 431.282 4.706 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)o1 1871436089 MBAQRNVAFBIVTN-YSUUHWHMSA-N 428.444 4.790 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871890439 IHUWXAWFFPTELL-MGPUTAFESA-N 438.952 4.709 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872104306 OSILYYIPQCVBSI-JOCHJYFZSA-N 439.581 4.687 30 10 IJEE O=C1C(O)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1c1ccc(F)c(F)c1 1872955796 MUUPZJFZSBRUNX-UHFFFAOYSA-N 437.242 4.845 30 10 IJEE N#Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2-n2cccc2)cc1 1873867540 RGGDCGNDKRAQCX-UHFFFAOYSA-N 432.281 4.549 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc(OC)c1OC 1874252009 ATFLUYQWTUXPLS-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(OC)c(OC)c1 1874317701 HLNUTUPPTFAAHT-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874426773 ZSVLFQVRPNIMRI-MFKUBSTISA-N 443.532 4.572 30 10 IJEE CC(C)(C)c1nnc(SCCO)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874486874 OVKFCATZXDCASK-ZVHZXABRSA-N 444.988 4.775 30 10 IJEE COCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874501617 PXOGFXQLHHEMMI-UFFVCSGVSA-N 435.322 4.501 30 10 IJEE OCCCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874520155 DHGBZWPIMVGKJA-ZVHZXABRSA-N 442.972 4.745 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(OC)c2)cc1C 1874637892 XFMBYARQBOBCDW-VQHVLOKHSA-N 426.509 4.795 30 10 IJEE CCCCCCC[C@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1917156790 XPRJLNWIPOFODV-GOTSBHOMSA-N 425.525 4.700 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922073963 JDVMJVVJODOVEQ-WIOPSUGQSA-N 426.557 4.602 30 10 IJEE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)nc1 1952453378 YOEAMLWOXAZOHZ-HSZRJFAPSA-N 441.487 4.644 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3c(Cl)cccc3Br)CC2)OC1(C)C 1963796958 QXISFYCLFVHWHR-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1O)c1ccc(Cl)cc1 2033813385 AAKRSCNFMAKOQI-IBGZPJMESA-N 441.892 4.591 30 10 IJEE C=C(CNC(=O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2077056628 VWFIKQKBNALZCZ-UHFFFAOYSA-N 430.354 4.568 30 10 IJEE CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C)c(C#N)c1I 2079932952 FYZINQYFFDTCHM-CYBMUJFWSA-N 437.178 4.825 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080022398 JVESHOAXLQVYRM-GOSISDBHSA-N 435.309 4.881 30 10 IJEE O=C(O)c1cnc2c(-c3ccc(C(F)(F)F)cc3F)c(C(F)(F)F)nn2c1Cl 2081150006 WDZQPHNUNRUOLX-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE C[C@H]1C[C@H](Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)C1 2107451492 VNILGLGKTWMKJA-GXTWGEPZSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(c2cc(Br)cc(C#N)c2)C1 2174814368 HFOJKIQWTRVDIZ-VQIMIIECSA-N 434.378 4.937 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174814852 MNRYILCJXGWZSI-GUYCJALGSA-N 440.357 4.980 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC[C@@H](C#N)CC2)cc1NC(=O)OC(C)(C)C 2181047562 PBLQRZHFIHFKTA-CQSZACIVSA-N 436.350 4.870 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Br)cc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2187939289 AJSFLSSZULKTGU-CYBMUJFWSA-N 436.350 4.542 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CC 2224252736 INEHBFKTJRJLJO-PBHICJAKSA-N 429.403 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@H]2Oc2cc(Br)cnc2C#N)C1 2233836258 JTHWYGLMDFIISF-YSVLISHTSA-N 436.350 4.520 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C12CC(CCN1C(=O)OC(C)(C)C)C2 2235718189 CXYYDUKTLOSFBI-UEUGHCDMSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2ccccc2Br)CC12CCCC2 2235722663 KFRGOZQIXCLBAO-IEBWSBKVSA-N 433.390 4.698 30 10 IJEE CCC[C@@]1([C@H](N)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235730350 OJYYTWAMSHDCOZ-DENIHFKCSA-N 435.406 4.945 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2235744887 ACDXYBYGHPPABN-ZWKOTPCHSA-N 433.390 4.568 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254801555 SYDATNODOUKGIB-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2278794024 RFDVTVHVGZXAJH-KRWDZBQOSA-N 438.387 4.501 30 10 IJEE C[C@@H](c1cc(Br)cs1)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284358756 KMAYPTWLKSSGDY-NSHDSACASA-N 441.175 4.541 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2ccc(Br)cc2)c2ccccc21 2296285184 ZFPFAHCOFYOYIS-AZUAARDMSA-N 428.326 4.700 30 10 IJEE SC[C@@H](COCc1cc(I)ccc1Br)C1CCC1 2319161358 VQYLFHKSAZWFPH-GFCCVEGCSA-N 441.172 4.916 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2N=Cc2c(Cl)cccc2Cl)c(C)c1 2321344290 FTKGVAOJJLMYFD-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE CCOc1ccc(CCc2nnc(S)n2N=Cc2ccc(C(C)(C)C)cc2)cc1OC 2322261844 BWHMYVIMKIDBDP-UHFFFAOYSA-N 438.597 4.939 30 10 IJEE Cc1cc(OC(=O)c2ccccc2Br)cc2c1C(=O)C(=Cc1ccccn1)O2 2322712031 ZYDVQCBBBWICJW-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OC(=O)C3CC3)c2C)C1=O 2322774242 UOSQESLCCPXDQD-UHFFFAOYSA-N 429.266 4.698 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)c1 2323068422 QUQROWJHXZITOL-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323197057 FZZXZCHDLOURSM-UHFFFAOYSA-N 445.427 4.812 30 10 IJEE CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2323582784 SHKXXFAQHWSYGX-UHFFFAOYSA-N 446.507 4.831 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325423826 CPAXKNGTKOHFJN-AWEZNQCLSA-N 448.500 4.729 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)cc1O 2325441625 RJHDHEFIJFCSIB-UHFFFAOYSA-N 448.523 4.788 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)c(O)c1 2326122301 HBKIIXXBPGCNNK-UHFFFAOYSA-N 432.933 4.533 30 10 IJEE N#Cc1ccc(CSc2nncn2N=Cc2ccccc2COc2ccccc2)cc1 2326660462 LSOXJGOQFGVQJP-UHFFFAOYSA-N 425.517 4.903 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(O)c1 2327566003 AFVZLJVQQLOJGC-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccc[nH]2)c1 2328453821 AHUBPMAWIYJDFD-UHFFFAOYSA-N 432.509 4.588 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccc(O)c2)c1 2330643649 ZSVLFQVRPNIMRI-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)c1OC 2330952017 OIBWQKLMKPLHFG-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 2330965712 WQTGRUGSLVYVJD-GOSISDBHSA-N 442.928 4.656 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Cl)ccc1O 2331304929 VKELGJMBIXRCIR-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE CCCCc1nnc(SCCO)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331351916 MHAXWIIIWDAIAM-UHFFFAOYSA-N 437.613 4.614 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(C)C)c1 2331684941 ZPMODTGMCGMDBU-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339575058 QZVHJKVXVZYQQC-CWSBKQHBSA-N 444.381 4.752 30 10 IJEE CCc1ccccc1N/C(=N/C(=O)c1ccccc1C)NCCc1c(C)nn(CC)c1C 32973343 SJKUJZJUOCTBCH-UHFFFAOYSA-N 431.584 4.831 30 10 IJEE N#C[C@H](C(=O)c1ccccc1I)c1ccc(Br)cc1 36930743 IXMITZXJPHRBQC-ZDUSSCGKSA-N 426.051 4.544 30 10 IJEE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1C 59265759 GMUPIKFCXLTZSN-UHFFFAOYSA-N 427.961 4.769 30 10 IJEE C=CCn1c(SCc2ccccc2C(=O)N2CCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 96291908 MJEZPABFALSYQO-UHFFFAOYSA-N 449.536 4.568 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NCC)cc1 100154321 ARRBRVCQSZYIEA-UHFFFAOYSA-N 441.597 4.912 30 10 IJEE CCOc1ccccc1/C=C1/Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2C1=O 103022596 CNUUGFVCDDEABI-LPYMAVHISA-N 440.448 4.608 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 103109460 ACZBLHXKIFAVBZ-LCPUNJGISA-N 434.517 4.703 30 10 IJEE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N(C)Cc1ccc(C#N)cc1 107794602 DDHUVUUSVMBPLR-UHFFFAOYSA-N 426.442 4.581 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c1 164442284 RTMLIPFBZAESJC-UKTHLTGXSA-N 431.488 4.926 30 10 IJEE O=c1cc(-c2ccccc2)nc(N/N=C\c2c(O)ccc3cc(Br)ccc23)[nH]1 169896898 VTCBGSCJNLNESR-FMCGGJTJSA-N 435.281 4.504 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccc(C)cc1 169912762 HLMXBIQWCBFXDS-DEYGKZMTSA-N 438.553 4.587 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)cc2)cc1C 169962207 PTAPHQVLYXYLOQ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(CC(=O)O)cc3)[C@@H]2c2ccccc2)ccc1F 170053047 PEHIYBFDSKXKJR-HSZRJFAPSA-N 445.446 4.544 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@H]2c2ccco2)c1 170092235 SPQVXNHNHSXFEN-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C)o2)c1 170099604 XNQWBCDMGNRSBU-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170114385 BTPKIPYWZVXMSA-QFIPXVFZSA-N 447.487 4.692 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1 170173994 JDUSZVWUZRPCBA-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(C(=O)OC(C)C)cc4)CC3=O)n2)cc1C 170180290 CCZPSABJKPJTPC-UHFFFAOYSA-N 447.560 4.709 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(F)cc2)c1 170238893 VUYSOWRRNGTERL-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(F)cc2)cc1OC 170240151 JIEOYOSLUUXSIF-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(F)cc1 170240299 VWDWOBJJIVQIBL-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(O)c1 170257867 PYQXSHCOGHMOTA-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1Cl 170289722 JKYZEYRBYLOKHA-HXUWFJFHSA-N 434.835 4.596 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)o2)cc1 170307633 GGRCPDAOVHYVQU-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1c(C)[nH]c2ccccc12 170312368 OJLSQILOOALJBV-HSZRJFAPSA-N 430.504 4.790 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2sccc2C)cc1 170312969 BXGWJVUVLLRKND-HXUWFJFHSA-N 443.565 4.850 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCN3c3ncnc4ccccc34)c2)c1 442408540 IPDCHEGRTITBTP-RUZDIDTESA-N 449.514 4.688 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 473773620 OPNFTXFUFJTZNJ-QGZVFWFLSA-N 433.545 4.894 30 10 IJEE N#Cc1ccsc1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 502461414 KASVGKJCMPQFFV-UHFFFAOYSA-N 429.423 4.821 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(CN2CCCC2)CC1 508744275 CKCGFYRSQVIOFX-UHFFFAOYSA-N 448.640 4.875 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 508948070 ZBXYASFCWKFXFW-HCUBDLJJSA-N 430.552 4.676 30 10 IJEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526807713 DUNFREOMMTZTHH-FMCGGJTJSA-N 430.961 4.994 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc(OC)c1 526820921 PQMOOQKDLAHAEU-MTJSOVHGSA-N 431.359 4.786 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 559005481 LJKROMQUPJFBMP-KXBFYZLASA-N 442.361 4.578 30 10 IJEE C=C(COC)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686827248 SHOGIWCSHOWMJR-HSZRJFAPSA-N 445.648 4.507 30 10 IJEE Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 739595217 GLLCRFUDGPQYNP-KRWDZBQOSA-N 449.601 4.972 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCc3ccc(C(C)=O)cc3CC2)c1=S 755773940 DGOKFUVHRYMUIO-UHFFFAOYSA-N 448.592 4.537 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN(C[C@@H]2CCCO2)C2CCCC2)c1=S 765039037 OSIKZQDTZOZKRH-NRFANRHFSA-N 428.602 4.560 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2sc(N(C)C)nc2s1 780306304 UNAKEICBQUVTIO-AWEZNQCLSA-N 426.567 4.510 30 10 IJEE C=CC[C@@]1(C(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)CCCN1C(=O)OC(C)(C)C 784941840 GKSROCCPFLYYEB-CMJOXMDJSA-N 445.491 4.826 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NCc3cccc(Cl)c3Cl)c2)s1 786943240 IEQJSAOWCPHZFT-UHFFFAOYSA-N 444.343 4.526 30 10 IJEE C=CCc1cc(C(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc(OC)c1OC 1125929773 SRTFDTYYYYDBNP-CRICUBBOSA-N 446.588 4.636 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 1126458882 RSOMZOKJJOPWEL-LJQANCHMSA-N 432.442 4.538 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C)c1ccc(Cl)cc1F 1129615978 KWSYUFLEWIGJSJ-JTSKRJEESA-N 428.935 4.837 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Br)cc1 1129730904 NCSXWUNBNVXECX-HXUWFJFHSA-N 435.277 4.597 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCN(CCc2ccccc2)C1 1142766751 HSPWXDYGZVPJBE-KNQAVFIVSA-N 443.513 4.901 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 1142813490 DSVCPWNIDPQOSU-SZMVWBNQSA-N 426.479 4.927 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 1158669112 ALCRKBVVELFPMX-DLLPINGYSA-N 435.545 4.929 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 1175400107 YOFDTSLCFWGLGN-RUZDIDTESA-N 446.588 4.663 30 10 IJEE C#CCN(Cc1cc(OCC)c(OC)cc1F)[C@H]1CCOc2ccc(Br)cc21 1180291901 HSKQJLPXBHAFPX-IBGZPJMESA-N 448.332 4.955 30 10 IJEE CC(C)CC[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(Cl)cc1 1224065119 HZEORIYTDHMZCU-HOJAQTOUSA-N 448.995 4.876 30 10 IJEE C#CCN(CC1CC1)C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1228392772 KEOOCWZNXGQYDW-UHFFFAOYSA-N 431.851 4.734 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 1230468044 FALRUJLDFUSICK-QRQLOZEOSA-N 437.353 4.634 30 10 IJEE C#CCN(C(=O)c1cc(F)cc2cccnc12)[C@@H]1CCOc2ccc(Br)cc21 1265209372 AWERVNUPYGXDNY-LJQANCHMSA-N 439.284 4.736 30 10 IJEE C#CCN(C(=O)CCc1ccc(F)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1265210997 YLLBFLKDKDDNOB-LJQANCHMSA-N 434.280 4.646 30 10 IJEE C=CC[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(Cl)c(Cl)c1 1270234897 GNCFCKGTTQNXSM-GTXQTCRKSA-N 439.339 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCCCCC1 1286277191 XDOZSMODTIMBIQ-FQEVSTJZSA-N 445.611 4.896 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCO[C@H]1C(C)C 1286441325 LQYNRELHEXFQAR-XLIONFOSSA-N 445.405 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(SC)CCOCC1 1286566534 IIPLAGJFLFBQRU-GOSISDBHSA-N 448.608 4.872 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286694591 GAXRXRGVBSYVOU-QFIPXVFZSA-N 449.624 4.810 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286695192 QGFFZFBESOVFNS-RBUKOAKNSA-N 431.378 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccnc(SC)c1 1286760321 XXCJNJWOZKKTKK-UHFFFAOYSA-N 430.581 4.694 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NCCCc1ccccc1 1296317020 LXKVZZIXHHGDCR-HSZRJFAPSA-N 435.568 4.977 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300601701 KGTPBYRSJNGFAY-PZJWPPBQSA-N 439.604 4.535 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCS1 1300658216 YYAQNXNRFBTJBB-OAHLLOKOSA-N 447.029 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1300906270 LUQYFZAQRGVLBU-UHFFFAOYSA-N 443.592 4.613 30 10 IJEE C=C(Cn1c(N(C)Cc2ccoc2C)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1301010862 RDQIFCLPEDQNLB-VWLOTQADSA-N 436.556 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[C@H]2CCCCO2)CC1 1301112331 QZBLSWLHIKZGRT-OAQYLSRUSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](COC(C)C)C1 1301144184 YELHOOWODNWTKC-FQEVSTJZSA-N 438.572 4.924 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1301272851 LKFKVBIGFPNJQC-ICSRJNTNSA-N 427.593 4.603 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1301281084 AXQKJRUWYIHCEU-FXAWDEMLSA-N 443.020 4.760 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1301425349 HKPOKOBJMFIRLR-LJQANCHMSA-N 436.522 4.862 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](CC)Oc2cccc(F)c2)C1 1301543099 VKENFNHSXDIEBN-PZJWPPBQSA-N 440.519 4.625 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1Cc1c(F)cccc1N1CCCC1 1302133886 BZCVFOKNPAJVGD-UHFFFAOYSA-N 438.595 4.784 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1)OC 1306408667 CZRZFVOFYPVEIN-YSZBQJHXSA-N 439.604 4.662 30 10 IJEE CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cc(Br)c(C#N)cc1F 1306913230 DKYCVOLMDMAKHZ-UHFFFAOYSA-N 431.092 4.842 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCCc3ccc(Br)s3)cc2)nc1 1310210783 HJINRDMDBMAHKU-UHFFFAOYSA-N 443.326 4.934 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl 1310499107 QXJDUQISNOADAP-FZKQIMNGSA-N 442.869 4.956 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 1313195051 GQAYRQOWSVBOAO-QHAWAJNXSA-N 427.342 4.807 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1cnc(C)s1)c1ccc2c(c1)OCO2 1350356334 YEKCRPZWJGMCFV-PKNBQFBNSA-N 434.517 4.992 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc3sc(C)nc3cc2OC)CCCN1C(=O)OC(C)(C)C 1352357736 PIGYBZDITOMVEO-JOCHJYFZSA-N 431.558 4.898 30 10 IJEE C#CC[C@@]1(C(=O)O[C@@H](C)c2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1358284287 YKEHZLQORSAWKY-BTYIYWSLSA-N 436.346 4.846 30 10 IJEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1cccs1 1358912128 JOMAZNAXZYIBRQ-IBGZPJMESA-N 449.628 4.515 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359051272 RFGHAZCAXPVNMW-LNLFQRSKSA-N 444.670 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)N[C@H](C)CC 1359108623 VUGFIGUZKARBLU-GOSISDBHSA-N 434.588 4.509 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccc(F)cc1 1359157914 XZPXYTRAHYDXLE-LRDDRELGSA-N 438.841 4.830 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccncc2Cl)CC1 1359181170 IOGNIJXKJLFGKT-UHFFFAOYSA-N 437.975 4.973 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](CC)C1 1359223357 IYOUPRAGPDBQER-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C 1359261729 UDAGYSZRIKIFLG-UHFFFAOYSA-N 433.622 4.959 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[S@@](=O)C(C)(C)C 1359268640 XTFVAKCJMAWPOV-BJLXPSRBSA-N 446.686 4.857 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN1CC 1359276851 SNPOHWYFVXCBQA-IBGZPJMESA-N 439.991 4.911 30 10 IJEE C[C@@H](OC(=O)COc1cccc(Br)c1C#N)c1ccc(OC(F)F)cc1 1360234847 ARAKBYDKNVSZBZ-LLVKDONJSA-N 426.213 4.605 30 10 IJEE C=CCOc1cccnc1C(=O)NCCOc1c(Cl)cc(Br)cc1Cl 1435748158 AVWPPZRNZUKMSW-UHFFFAOYSA-N 446.128 4.525 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCN(c4ccccc4Cl)C3)o2)cc1 1453170696 BEUGPYDMVLCUSP-GOSISDBHSA-N 435.911 4.640 30 10 IJEE C=CCN(C(=O)/C=C\c1csc(C(F)(F)F)c1)[C@H](Cc1ccccc1)C(=O)OCC 1459000225 NQVDSVZEXXWXJY-RXQFDZFGSA-N 437.483 4.969 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl 1460844555 QZFVRMHAWUAUSX-HNNXBMFYSA-N 426.365 4.704 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)C(=O)N(C)CC3)cc1OCC 1461292531 DZCFDBYBTCMJBE-UHFFFAOYSA-N 445.357 4.653 30 10 IJEE CC(=O)CCc1ccc(OCCC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)cc1 1461311985 KXZAOFHUQINKJT-UHFFFAOYSA-N 443.503 4.983 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1 1463076918 AMUWTPQHOUDART-KRWDZBQOSA-N 447.379 4.645 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 1468079150 DIAGDHTWXVIUNB-IBGZPJMESA-N 442.934 4.782 30 10 IJEE C=CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1470443387 YTKBCGFVCMUQRR-UHFFFAOYSA-N 440.487 4.981 30 10 IJEE C=CCCSCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 1470734052 NDYIBWCIXJXSIY-NRFANRHFSA-N 432.611 4.732 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nc2sc3c(c2c1=O)CCCCC3 1472909423 BRMYQOAETYQGBW-UHFFFAOYSA-N 444.578 4.893 30 10 IJEE COc1cc(Cn2ccnc2[C@H](O)c2cccs2)ccc1OCc1cccc(C#N)c1 1473042221 AZQYNTVDKDGBKQ-HSZRJFAPSA-N 431.517 4.534 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2ccc(CC#N)cc2)c2ccccc2Cl)c(C)c1 1475014255 HCYNXHHDRXDETK-QHCPKHFHSA-N 440.952 4.791 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1507771055 SYDBWYIXCHQJBD-XLGIIRLISA-N 425.665 4.761 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccoc1 1507839763 VEOHFUKVWMXWLO-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCSCC(C)C)CC1 1507892654 WEKIZVCVXOQPIL-IBGZPJMESA-N 449.665 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1507911585 MYBVCNZARQIJEJ-QUCCMNQESA-N 441.620 4.970 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(c2nc(C)cs2)CC1)c1ccccc1 1507923984 GUUJFKIDAOQLOZ-OAQYLSRUSA-N 436.629 4.853 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnc(C)s1 1507930152 ZPTXJTALGMEWGQ-UHFFFAOYSA-N 439.585 4.712 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)cc1OC 1516002501 USASSNVZFQIDHF-YLKNVVCXSA-N 437.927 4.529 30 10 IJEE Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl 1519093686 DRPHPMPYKANYNJ-IBGZPJMESA-N 429.904 4.547 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc1OC 1519706880 BZQQRMCYCXTKRD-IZIDJEDMSA-N 448.332 4.922 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCCC[C@H]3c3ccc(Cl)cc3)cc2C1=O 1521191699 LIMAFIYUPAFOTJ-UGKGYDQZSA-N 436.939 4.968 30 10 IJEE CCn1c(NC(=O)c2cc(Br)cc(OC(C)C)c2)nc2cc(C#N)ccc21 1521270183 ICVRFHFBROAHHB-UHFFFAOYSA-N 427.302 4.730 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)c2C#N)C1 1523678292 DODRYIPHTADHGQ-FXAWDEMLSA-N 437.565 4.903 30 10 IJEE C=CCOc1ccc(COC(=O)c2cc(Cl)ccc2I)cc1 1528437757 CFTTWZHYCRGRDW-UHFFFAOYSA-N 428.653 4.866 30 10 IJEE C=CCC[C@@H](NC(=O)CCOc1ccccc1I)c1ccccc1 1536283098 MGQHVCHMKMINEO-GOSISDBHSA-N 435.305 4.884 30 10 IJEE CC(C)c1nc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)nn1-c1ccccc1Cl 1536618409 FJGWEDNPZPCTMD-UHFFFAOYSA-N 433.943 4.936 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CC(c2cccc(F)c2)=NO1 1536962194 GYJRJZCWQJQSCD-CVEARBPZSA-N 434.311 4.757 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539081601 CWSPDNIWIYRONP-HSZRJFAPSA-N 446.599 4.525 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H](C)CCSC 1539621372 RDDQTVQIJWIRMJ-CUWPLCDZSA-N 430.618 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C)CC1 1539625237 ZUCFHHLMCYBTDZ-NFBKMPQASA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1539674536 YWUCIZISVLEBIY-LEWJYISDSA-N 434.632 4.873 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1539975244 PLRRLMKKNIVRAK-LJQANCHMSA-N 449.393 4.511 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1 1540134535 TZXNLZYLMPHBIT-VQTJNVASSA-N 435.547 4.877 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCCCO1 1540191262 IUNBXGCWCXKVDL-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1sccc1C 1540198794 PZZWRKUCOHFIRY-UHFFFAOYSA-N 435.553 4.657 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C2CC(C(C)(C)C)C2)C1 1540887329 VDYWGZFXCVGXCN-QLOJAFMTSA-N 440.588 4.741 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)cc1 1543708096 APKASIVVCVEIGM-UHFFFAOYSA-N 428.916 4.558 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc3c(Br)ccnc23)c(OC)c1 1544936747 XQNUUQBNHJMYQJ-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC1(C)C 1555114207 FIDOFZWOYTUHCM-SFHVURJKSA-N 425.602 4.755 30 10 IJEE CSC1(Cn2c(COc3ccc(C)cc3)nnc2N2CCC(CC#N)CC2)CCC1 1555867766 ABZZWWLYJICFIS-UHFFFAOYSA-N 425.602 4.581 30 10 IJEE C=C(C)[C@@H](NC[C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)c1ccc(F)c(F)c1 1560764395 JHNICAKCXDQPEK-VGOFRKELSA-N 448.558 4.597 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 1562464056 CGZABEDYWUTDRY-UHFFFAOYSA-N 449.530 4.570 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)C(C)C 1563453636 LZBHEHQXWQNFFW-IRLDBZIGSA-N 448.449 4.722 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1 1564330307 RYYZRAKXTMEVQL-HOJAQTOUSA-N 431.577 4.754 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C 1564512860 DBXPIRVRWJSSMT-QZTJIDSGSA-N 427.358 4.878 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](Cc2nc(C)cs2)C1)c1ccc(Br)cc1 1565000571 ZVOHPLPDJDWWNG-QAPCUYQASA-N 432.387 4.553 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C1CCOCC1 1565105947 NNKUVXJFPXQJAS-OAQYLSRUSA-N 448.897 4.980 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)cc2n1 1585155827 QHYMTMLIPHYEKB-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN2CCCCC2)C1 1587746038 HKMBRTFMCCWNQC-FQEVSTJZSA-N 426.008 4.714 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)C1CCCCC1 1589570373 UNFXPTZINFCXFQ-ODGPQVTHSA-N 440.636 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](CN3CCC(C)CC3)C2)nnc1C(C)(C)C 1589577148 ADQSBTFWEMLGFP-VJBWXMMDSA-N 443.680 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CCCN(C)C(=O)OC(C)(C)C 1589669312 PYKOOOMFVRZKRJ-UHFFFAOYSA-N 445.583 4.667 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1593625436 XQELFLPHVBYCMX-KRWDZBQOSA-N 439.551 4.593 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@@H]1C 1593776717 PMAIDSYHSZKXNL-WWPVKYPJSA-N 438.616 4.913 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 1593778324 KNOITWWANKOCIQ-UHFFFAOYSA-N 430.354 4.732 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1594102305 HTEMDXCGIWAQOP-UHFFFAOYSA-N 439.535 4.516 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[S@@](=O)CC)CC1 1594202892 VAEOSAUEYXYCCU-LJAQVGFWSA-N 449.045 4.984 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1594633879 GLGOWXOAFOHBNY-UHFFFAOYSA-N 447.558 4.859 30 10 IJEE C#C[C@H](NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)c1ccc(Cl)cc1F 1597002059 GWAATIVLYDDVOZ-FQEVSTJZSA-N 440.906 4.514 30 10 IJEE CCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 1614593225 LOXAXBGHRYAOGH-MUBPVYAGSA-N 428.603 4.739 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](c1ccc(OC(C)C)cc1)N(C)C 1620956575 CPCWHKCXSYIOOO-QFIPXVFZSA-N 445.401 4.641 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1OC 1621307250 HRGFJVYQRBQMLV-AWEZNQCLSA-N 429.904 4.823 30 10 IJEE C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1623350487 FUUOFCBASVDYKP-ZDUSSCGKSA-N 445.375 4.994 30 10 IJEE C#C[C@H]1COCCN1C(=O)Nc1cc(Cl)ccc1Oc1cccc(Br)c1 1624862111 JSOGFBLDCDJAMO-HNNXBMFYSA-N 435.705 4.761 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1OCc1ccccc1 1624991527 BBSKWJSSGVDQQB-LJQANCHMSA-N 425.529 4.849 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C)C(C)C 1627131701 WMRQPOCUKNHTQD-OAQYLSRUSA-N 434.506 4.628 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](c1ccc(CC)cc1)c1cccnc1 1627379096 KIDPNFKNQXNAQS-BJKOFHAPSA-N 449.595 4.889 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3C[C@@H](C(=O)OC(C)(C)C)[C@H](c4ccccc4)C3)cc2n1 1627664339 LTFJZECBKXVNRY-FCHUYYIVSA-N 446.551 4.812 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2C)C2CCC(C)CC2)c1 1631941123 GCUAKYIEVJKKBO-SCPLRKQGSA-N 440.609 4.757 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)C(C)(C)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1632119948 JFMDEIRNONXYLF-QFIPXVFZSA-N 441.616 4.787 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)OC1(C)C 1637066926 VTKVOMHNHZUSNI-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE CC(C)c1ccc(C[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)cc1 1638019471 CNTFDQXCQKCLGV-QHCPKHFHSA-N 431.580 4.928 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)c1 1638060749 FPIOHYXFWQFDMG-GOSISDBHSA-N 449.894 4.854 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 1638258408 OTCXUBZEMFNJHG-UHFFFAOYSA-N 439.693 4.848 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 1638625998 ALKRASPHBRICLK-RNODOKPDSA-N 433.455 4.528 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 1638664261 HREKNMDDEALUSV-FCHUYYIVSA-N 428.573 4.806 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1Sc1ccc(C#N)c(Br)c1F 1650617307 FMKPBLVVRIRBMZ-UHFFFAOYSA-N 429.318 4.979 30 10 IJEE N#Cc1cccc(Br)c1N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 1651758267 FKKWPCOIGKFZEW-MRXNPFEDSA-N 440.110 4.800 30 10 IJEE C#CCN(C(=O)CCCOc1ccc(Cl)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973752 VMBZLKDTHZRBMW-UHFFFAOYSA-N 448.991 4.669 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1OC 1655497135 CWGWQANFOBFYBY-QGZVFWFLSA-N 437.367 4.944 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 1657137973 GEUHVHJKBASPOS-DEOSSOPVSA-N 431.467 4.858 30 10 IJEE CN(C)C(=O)NCCc1ccc(NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 1658411977 IADFCPWQLULXOJ-UHFFFAOYSA-N 428.536 4.563 30 10 IJEE CCC[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccc(F)cc1F 1660895502 GYXIYGQZRZFFLD-INIZCTEOSA-N 447.276 4.558 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 1667045990 DNIQIOZBZOECJX-UHFFFAOYSA-N 427.472 4.707 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)cc1 1667955848 GSOQXLAXNLKHRO-JOCHJYFZSA-N 441.597 4.718 30 10 IJEE CN(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 1668018094 BZDKCBLWPQJQEN-HXUWFJFHSA-N 448.958 4.977 30 10 IJEE C#CC1(F)CN(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 1670942262 YIMITMLACSPGSN-LLVKDONJSA-N 436.249 4.694 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 1672209358 BQSPGHJLDWEJSD-LJQANCHMSA-N 435.293 4.758 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2ccc(SCc3ccccc3)c(Br)c2)CC1 1673071239 ZLNMXLHXJSVTDH-UHFFFAOYSA-N 445.382 4.733 30 10 IJEE N#Cc1cc(F)cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 1673773231 ARBSMPFTFWUQFE-BJKOFHAPSA-N 432.474 4.626 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)cc21 1674679673 ORWLBFCUSMRRIT-QHCPKHFHSA-N 439.519 4.594 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1677758087 IFKZHOITZGLRMO-MRXNPFEDSA-N 430.549 4.504 30 10 IJEE C#CC[C@H](NC(=O)Nc1nc2c(OC)cc(Br)cc2s1)c1ccccc1 1681116784 HWNFBNHQCNBAKD-AWEZNQCLSA-N 430.327 4.954 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 1682678617 AMVUWIMTYYBMET-UHFFFAOYSA-N 447.377 4.990 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C)c1ccc(Cl)cc1 1683703023 CKIYVKFFAPLMIC-NZQKXSOJSA-N 428.923 4.990 30 10 IJEE C#CCN(C)CCCNC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 1686634205 NONVUNRZEHNSSF-UHFFFAOYSA-N 438.330 4.679 30 10 IJEE C=C(CNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1686698922 KTVHGCNANYLBKI-CHWSQXEVSA-N 428.323 4.512 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(C)C)C1 1689878488 KHXJYIYOCLHORS-IBGZPJMESA-N 449.368 4.511 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1CCCCO1 1690066202 BNRUOXNLHUAHCF-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(COc2ccccc2)CC1 1690180876 LVTCSCKKZXMCHO-UHFFFAOYSA-N 438.641 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1690256341 KBKUTOVKMUFIQE-GFTAFNIFSA-N 442.579 4.901 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690280312 DTSNFHSXNFTFLH-SFTDATJTSA-N 440.588 4.714 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(CCC#N)CCC(C)C 1690330619 KDKDBKVVCWARJP-UHFFFAOYSA-N 439.789 4.565 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H]2C)CC1 1690384482 SNGSHHZHJUTBOZ-ZGXWSNOMSA-N 429.609 4.641 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2ccc(OC)c(OC)c2)CC1 1690410701 UPRKQAKNIZPSLA-UHFFFAOYSA-N 447.583 4.701 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1690412250 JTMZTOQBKLBION-IBVKSMDESA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC 1690422206 HFTCXSNOYOAMNB-CQSZACIVSA-N 438.403 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1690422368 MVFRGNILUPRHQY-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1690472377 MIQBLFMUCSHWHF-MJGOQNOKSA-N 438.494 4.769 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(=C)C 1690560220 QQKVKRPDODAHJZ-HJOGWXRNSA-N 447.583 4.565 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1ccco1)N1CCCCC1 1691160430 ATODASSEFVSHET-CJFMBICVSA-N 438.620 4.817 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCCC1 1695463663 CKGJFEQONRINDJ-UHFFFAOYSA-N 430.556 4.675 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC[C@@](C)(CC)O1 1705589322 PBDCQOPCGMKASI-QHWMMSMNSA-N 448.611 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccncc1Cl 1705677598 VIDMLMAVVVXMGP-XMMPIXPASA-N 435.959 4.563 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1705704725 YQWAPNXOXCTLCB-REWPJTCUSA-N 435.547 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(Cl)nc1 1705712203 ZJNHNXQGWMTWLT-UHFFFAOYSA-N 449.784 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCc1scnc1C 1705719723 IUPXXTOGPPQETJ-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1705723286 JMLLBAJQTBXDQK-VXKWHMMOSA-N 442.604 4.957 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCOC2)CC1 1705776351 DSDHLRGOGDYWFQ-QGZVFWFLSA-N 431.378 4.537 30 10 IJEE C=CCCCCn1c(N(C)CCC(F)(F)F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705809122 IKYZQUGXFFAMRP-IYBDPMFKSA-N 445.530 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CCc1csc2ccccc12 1705877152 XFAVOPBIPXKPKU-UHFFFAOYSA-N 432.597 4.776 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)C 1722277125 HOQFLERIVPNKPG-DCLXLUIPSA-N 431.584 4.711 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1(OC)CCC1 1722278174 KNLWUMUXMXFLJS-IBGZPJMESA-N 431.584 4.770 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(CCOC)CCC1 1722301887 DIUXKJPRAVQXBG-FQEVSTJZSA-N 438.616 4.819 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nc(C)c(C)s1 1722389383 SFGPSLDNABQLQM-UHFFFAOYSA-N 431.609 4.827 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCN1CC 1722405947 SJYWIDNDHJZEKY-XMMPIXPASA-N 444.627 4.687 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCCCC2)C1 1722453383 ZEQZQJADSXHQJU-UHFFFAOYSA-N 448.434 4.563 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCC1(F)F 1722498179 QYCMAQZDDWGKGR-WZONZLPQSA-N 444.526 4.683 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cc2ccccc2o1 1722503009 XITRDYHLUBWBJB-RUZDIDTESA-N 438.572 4.710 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1722523760 NLCXPYLAWFTNPD-GOSISDBHSA-N 432.996 4.831 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722524801 RQFCPLAKVGFTRB-KSSFIOAISA-N 425.360 4.601 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2OCCC2(C)C)CC1 1722574768 RPQHAGHLLKXRQE-UTKZUKDTSA-N 428.552 4.775 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1722610698 BXZHWDUMOSFCJS-SFHVURJKSA-N 425.577 4.995 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1C[C@H](C)O[C@@H](C)C1 1722632274 NDJPHCUJQHYODF-KBPBESRZSA-N 437.357 4.673 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@@H](OC)C(F)(F)F 1722632997 BKEBKGGWSFYMSA-CZUORRHYSA-N 432.874 4.661 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C)C(=O)OC(C)(C)C 1722633336 FNXSLHNNVHFIAN-MRXNPFEDSA-N 449.983 4.561 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc2c(c1)OCO2 1722644503 DFWGJUKCBJIQTG-WIYYLYMNSA-N 440.588 4.525 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1726661776 DGGNIDBBTIFXAB-CRAIPNDOSA-N 435.494 4.655 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCc1nc(C)c(C)s1 1729987900 GBQFZHOKAOBPHO-ZDUSSCGKSA-N 444.992 4.662 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1740565966 AKGUFARGDQIGKM-WZONZLPQSA-N 443.954 4.934 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cccs1 1740584499 MJSCHRFORPYBSN-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1740650357 YBOUHILGFGNLFH-IHPCNDPISA-N 437.385 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@](C)(O)CC 1740769079 GIKSXTMYAPUCBC-LJQANCHMSA-N 441.801 4.924 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H]2c2ccc(OCC)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1740785107 KMJZEGCRNSPJDD-RCZVLFRGSA-N 440.588 4.635 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740825471 WBKYOUXBLXTNQG-ZYLNGJIFSA-N 440.588 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1740846957 RWQWMKYHKSEMJP-AZUAARDMSA-N 439.604 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)CC1 1740851652 AHTJGEVSPHSYNF-UHFFFAOYSA-N 446.039 4.891 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)NC(C)C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1740855203 FEOSFZWIZBSRGY-IAGOWNOFSA-N 429.531 4.893 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740868248 HJOQEIDIAVAWEM-IOMROCGXSA-N 442.007 4.843 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(C)(C)C)C1 1740996816 JCUQAVVPOCPAOO-AWEZNQCLSA-N 438.439 4.827 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1740998327 MUAZYZOFRJMSRT-IBGZPJMESA-N 433.021 4.771 30 10 IJEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CC[C@H](F)C2)cc1C 1742267784 FWVZWLGXIUZCCK-SFTDATJTSA-N 425.552 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNc1ccccn1 1748654920 NVQWGMZWOPMQAV-HNNXBMFYSA-N 429.355 4.607 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCc1nccs1 1748710630 WIWQOEXILQLUCL-UHFFFAOYSA-N 432.553 4.539 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1748759438 KSCAQXAQPXXHMN-IFMALSPDSA-N 426.630 4.998 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC(C)CC1 1748908243 WJNXVXNNSZHKEK-GMAHTHKFSA-N 437.632 4.615 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1748983658 XHCBTAZIZITZAJ-SFTDATJTSA-N 445.533 4.556 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1749033362 DYVMPDXCMUPZNO-HNNXBMFYSA-N 445.430 4.798 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCOC(C)(C)C 1749126595 FANTXYMWPYUWOC-PGRDOPGGSA-N 437.588 4.659 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1749131511 SVSOPMNMOCZPQD-WMZHIEFXSA-N 439.560 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccoc1C 1749140118 MJALJJNUZRATDI-DXBBTUNJSA-N 442.604 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1C 1749140707 SAASPCBIOLLCJJ-MZYLBHOOSA-N 442.579 4.975 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1749148198 ZKKKTXMDEUQPPX-RCZVLFRGSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2ccccc2)C2CC2)CC1 1749323756 LCQWHLLVSCKDIV-QHCPKHFHSA-N 435.616 4.793 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N(C)C2CCCCC2)CC1 1749345981 ZFZKEPZSQKZYHJ-UHFFFAOYSA-N 449.643 4.647 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC2CCCCC2)CC1 1749370936 TYSMCKFYEPRTPQ-UHFFFAOYSA-N 436.648 4.569 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1 1749487268 MKAURGUENDDPDX-NRFANRHFSA-N 437.588 4.728 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CC(F)(F)C1 1749592361 IVRMECLJHDVYNK-UHFFFAOYSA-N 436.572 4.960 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccsc1)N(C)C 1751090753 AHMSMNSQVUKFEV-HNAYVOBHSA-N 428.993 4.701 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@@H](C)CC#N)n3CC3(C)CCOCC3)cc2C1 1752081133 DDCWHWLKNLNADJ-IRXDYDNUSA-N 427.618 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCOC1CCCCC1 1760104080 ROSATKBWDIRYOC-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](OC)C(C)(C)C 1760122365 KKTBCJMZLCYKSS-SIKLNZKXSA-N 426.605 4.808 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1nc(C)cs1 1760231179 VKBLXAMMHGFOIO-CQSZACIVSA-N 444.402 4.736 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCCCO1 1760276225 XPZGXSNUXYDHEP-PKOBYXMFSA-N 444.670 4.503 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(Cc1cccs1)C(C)C 1760277353 HXBXMJRACRAKOG-UHFFFAOYSA-N 426.611 4.797 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCCC2(CCCC2)C1 1760285632 LYJVQQPKJJCNKU-UHFFFAOYSA-N 428.577 4.523 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1c[nH]nc1C 1760291161 DGHZTBFPCQXLKI-JOCHJYFZSA-N 443.382 4.908 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760313068 IMLXXUNIMSSURY-JTAQYXEDSA-N 440.563 4.621 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1nc2ccccc2s1 1760342312 GMHXYUKPSDCZQK-UHFFFAOYSA-N 443.374 4.858 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C)C1)c1ccccc1 1760364953 HYDRRYQDZYPFGW-HMXCVIKNSA-N 426.630 4.852 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1760406055 QGYZEMCLFGZZJL-FPOVZHCZSA-N 426.630 4.954 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 1760413377 GSYQGODVRPYMOV-QFIPXVFZSA-N 437.632 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1csc(C)n1 1760457804 HYTGTXVRCGSWNA-UHFFFAOYSA-N 432.391 4.646 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCCn1nc(C)cc1C 1760481491 XZSSNDUVYXMTJK-HSZRJFAPSA-N 434.588 4.616 30 10 IJEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1768609662 BVEJHKOAOWMSQO-SFHVURJKSA-N 433.478 4.697 30 10 IJEE COc1ccc(/C=C2/SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1OC 1772758127 PEPIZIWAXIWOSU-HWVQBVCISA-N 447.516 4.803 30 10 IJEE CC(C)(C)OC(=O)N1CC/C(=N/OC(=O)/C=C/c2cccc(OCc3ccccc3)c2)C1 1860467695 IUVKLWDLNVTKJH-JVXFYWNISA-N 436.508 4.819 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862465810 WUXFCENHTUUXRL-IBGZPJMESA-N 428.326 4.992 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)cc1 1862502915 LLHNMXGOCIBNMI-HXUWFJFHSA-N 431.891 4.792 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504171 NPIDPMKSMCMXRK-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862650812 DYYXAWJHOMIMRT-SBUREZEXSA-N 449.453 4.875 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678519 RVVNPSSWNOIITM-QHCPKHFHSA-N 433.479 4.720 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1 1862905202 BIBMDNAARZAJLG-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCCCCC)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863235655 HYHYKVWKTVIBAJ-UHFFFAOYSA-N 449.507 4.932 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2cc(C)ccc2C)C1=O 1863407525 RCZMILCRHZFKBV-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)CCCN(Cc1ccccc1)Cc1ccccc1 1866347477 QRRCFYYCNJZUQS-QFIPXVFZSA-N 426.564 4.746 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)/C=C/c1ccccc1Cl 1870106334 ILJWRWFQGOUEKA-SOFGYWHQSA-N 432.698 4.810 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2cccc(C)c2)cc1=O 1870810284 VUXRKWCRQOGXDR-UHFFFAOYSA-N 434.536 4.594 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(CCCC)cc1 1870865936 FRUUIXAXPITVJS-UHFFFAOYSA-N 426.557 4.710 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871382220 OTGZJMLIMWKPNB-INVHQSODSA-N 430.412 4.610 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)Nc1ccccc1C(=O)O 1871431827 YWUQDFRBCSSBOT-NHDPSOOVSA-N 449.846 4.672 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871460077 UTCSBUJIZQDCLM-BKUYFWCQSA-N 430.416 4.537 30 10 IJEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)/C=C\c2ccc3c(c2)OCCO3)n1 1872771175 NSOPTVGUJVJKHK-SUZKBHRPSA-N 432.501 4.788 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2cc(F)c(F)cc2F)C1=O 1873060858 QOJRKGQKUIYZIX-UHFFFAOYSA-N 440.506 4.559 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660504 LOYOZCXRKRCSQB-UHFFFAOYSA-N 440.551 4.572 30 10 IJEE CCCOc1c(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SCC)cccc1OC 1874350181 YKXNIAIFWAGVGS-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE CCCOc1c(/C=N/n2c(CCc3cccs3)nnc2SCC)cccc1OC 1874370837 UBWBSEXBCYZNAY-PXLXIMEGSA-N 430.599 4.916 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(O)c2)o1 1874454386 GJMRLOANRRUTDO-YDZHTSKRSA-N 440.525 4.586 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OC 1874456110 AXEBAVMZBYQFNW-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE OCCCSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874457628 YNQBIAANJCSUEF-KOEQRZSOSA-N 436.581 4.871 30 10 IJEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cc1OC 1874467086 QTQBDKCKVCCQLO-LFVJCYFKSA-N 434.521 4.772 30 10 IJEE COCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874469672 RIOWEXPZCVBIJU-WSDLNYQXSA-N 445.932 4.512 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1/N=C/c1ccc(Cl)cc1Cl 1874480867 MRFNXYLDIYBQHI-SRZZPIQSSA-N 429.373 4.855 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CCC2)ccc1O 1874497693 WCTRPYHXKNUGAT-SSDVNMTOSA-N 443.916 4.987 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1 1874620936 AUMOQGVUNBEWEV-YRNVUSSQSA-N 429.472 4.946 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)c1 1875102723 NYIFTAPEMQZHSK-OUKQBFOZSA-N 432.472 4.757 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 1912151513 IKZAXXQSKKKGCC-MRUHUIDDSA-N 434.541 4.606 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1918267898 RHQXOPOCDWOJIK-VQTJNVASSA-N 447.498 4.859 30 10 IJEE C=CCN(C[C@H](O)Cc1c(Br)cccc1Br)C(=O)OC(C)(C)C 1937823848 VEEZGIVTDHRNQH-GFCCVEGCSA-N 449.183 4.538 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)CNC(=O)OC(C)(C)C)c1 1948381048 NMEKWVDQAVHZTB-SFHVURJKSA-N 433.549 4.880 30 10 IJEE N#Cc1csc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951523546 GUMOMKBLNXNREQ-QFIPXVFZSA-N 432.501 4.544 30 10 IJEE CC[C@H](c1ccc(OC)cc1C)n1nc(C2CCC2)c(C#N)c1I 2079881143 LBXSWCQKCYWLIG-QGZVFWFLSA-N 435.309 4.943 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)cc1C 2079979274 NFXQRQVTSLLQOF-KRWDZBQOSA-N 449.336 4.973 30 10 IJEE CC1(C)OB(c2cnc(N3CCC[C@@H]3c3cccs3)c(Br)c2)OC1(C)C 2172775617 DZDWBTILLIIAFT-OAHLLOKOSA-N 435.196 4.546 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(Br)cc2C#N)CC[C@H]1C(F)(F)F 2174812644 NGEISKFIVWXUBS-KGLIPLIRSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2c1cc(Br)c(C#N)cc1F 2174812729 ODCUMNYOKPHMFM-GOOCMWNKSA-N 438.341 4.874 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)C(=O)Nc1ccc(Br)c(C#N)c1 2180994095 VKUXARRWSRXHTG-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)OC1(C)C 2194121142 RSNNPODSKMSHIF-BFUOFWGJSA-N 440.574 4.801 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2235728581 LRAPESXWDPAFCX-UYAOXDASSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@H](O)C#Cc1ccccc1Br 2235738988 DVRQJVRWCGKOBM-MOPGFXCFSA-N 434.374 4.731 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)C1CCCCC1 2243910258 GFULYFIKOVIJEF-XMMPIXPASA-N 445.563 4.892 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2249588471 ZQKAVVNTYRWPGN-QSVWGWLCSA-N 431.508 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCCCC[C@@H]1NC(=O)OC(C)(C)C 2261830585 YEHBZIBEWCQLEJ-SQJMNOBHSA-N 447.572 4.847 30 10 IJEE CN(Cc1ccccc1I)c1cccc(Br)c1C#N 2265527056 FMQKLNUQDLILJA-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCN[C@@H](C(F)(F)F)C1 2294628284 VLLPVALLSPZYDK-RHSMWYFYSA-N 448.283 4.767 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@@H](O)C#Cc3ccc(Br)cc3)C2)C1 2296277911 YBRRPPYOEHJRQS-OZWAEMERSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@@H](O)C#Cc3ccc(Br)cc3)cc2C1 2296284787 USPPWELLTDKGHA-FQEVSTJZSA-N 428.326 4.785 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2296299694 YJYHOBVRHZWDHS-DFQSSKMNSA-N 433.390 4.638 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)Nc2cccc(C(=O)Nc3ccccc3C#N)n2)c1 2321103582 UWISDTYXBLGXOD-UHFFFAOYSA-N 426.476 4.645 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CCCOc2cccc(C)c2)ccc1OC(C)C 2322172204 XHPASAWVCGMJKM-UHFFFAOYSA-N 440.569 4.565 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)CCOc1ccccc1 2325723292 RDOOKYLGXZQDBF-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cccs3)c2)cc1F 2325747764 BLVLQSUUQAPHOF-UHFFFAOYSA-N 426.465 4.949 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1Cl 2327975938 YGXLYDOIIXQEDT-UHFFFAOYSA-N 449.363 4.517 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc[nH]2)cc1 2328336084 JSXIVCRFFDVPCN-UHFFFAOYSA-N 433.537 4.677 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccn1C 2328677722 AAUQVNQRQBBHMR-UHFFFAOYSA-N 449.555 4.724 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cccc(Cl)c1 2330045568 KJQGEKQQMSRNAQ-UHFFFAOYSA-N 442.972 4.758 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2-c2cccs2)cc1 2330611754 QRVURLVLUBZKPF-UHFFFAOYSA-N 447.589 4.606 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)cc1 2330990098 IAMRULZLYNGOSQ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c(O)c1 2331155109 YHYLQJFPLAEJOM-UHFFFAOYSA-N 428.823 4.536 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc(Cl)c1 2331362729 JDNBLQLKPUMDKG-UHFFFAOYSA-N 427.961 4.842 30 10 IJEE CCCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2F)cc1 2331577624 OVKSIDVNOXYODR-UHFFFAOYSA-N 428.533 4.917 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(F)cc1 2331630768 QDZRQPHVBQUMSW-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1ccc(Br)c(OC)c1)C(=O)OC(C)(C)C 2363127082 XTKLFJWEFBQCSA-GOSISDBHSA-N 439.394 4.759 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1C 8816001 BVPDNCDBMXMOGU-GOTYSUTNSA-N 431.945 4.556 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2cccc(C)c2C)NCCc2ccccc2)n1 14156973 LSHMDWXPJYBSBN-UHFFFAOYSA-N 432.597 4.707 30 10 IJEE CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)c(OC)c2)C3)c1 21226090 SWHCOOZXLMOEAG-TZIWHRDSSA-N 449.547 4.885 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(O)c2)cc1OC 33324908 GLYPQCYTOJRGJD-WAIKUNEKSA-N 432.476 4.664 30 10 IJEE COC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2cccc(OC)c2OC)C1=O 36257429 WKGVDZDXYNKLLZ-LFIBNONCSA-N 431.897 4.511 30 10 IJEE C=CCNc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccc(C)cc1 39844980 QGXVRDYURIZDHN-UHFFFAOYSA-N 433.327 4.843 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)cc1 41655489 CTMCYRCWOAUWBI-CFRMEGHHSA-N 441.483 4.750 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1ccccc1 59020313 IYBYPJMAWHWSAU-KSEXSDGBSA-N 435.340 4.678 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1cc(Cl)ccc1Cl 59311132 AUXFSKJEFZEHDH-UHFFFAOYSA-N 427.361 4.964 30 10 IJEE CC1(C)C(=O)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCSCC1 102221791 CVICODROVQVXJF-HTAMCLIASA-N 437.653 4.844 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(OC)cc2)cc1 102611036 IKUXGISHKUBTGF-VFJWVMJUSA-N 449.890 4.984 30 10 IJEE COc1cc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)ccc1O 102905851 MHRSCWLCSGGACG-SADKCHQCSA-N 435.863 4.681 30 10 IJEE C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 104985103 DTBGMLRLVKGLJD-WOJBJXKFSA-N 449.378 4.552 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945899 WSCLVHFWLJUPEC-VWLOTQADSA-N 438.483 4.669 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OC(C)C)c1 169980041 JCTOLHRLJQJPEA-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170131432 FZLJVAULRPSFGI-QHCPKHFHSA-N 445.446 4.639 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccs2)cc1C(C)C 170154977 MSRQINJLPOBZIG-NRFANRHFSA-N 443.565 4.883 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)c1 170163089 RFHGTPYHGRCAPR-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170214846 WCTONFSQSXTUIA-GYCJOSAFSA-N 447.531 4.930 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)c1 170256348 SRLSVHZMQWRBPI-HSZRJFAPSA-N 446.503 4.706 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccco1 170289593 NNJVCIRLTKLUQS-FQEVSTJZSA-N 434.835 4.596 30 10 IJEE CCCCCCCCn1c(NN=C(C)/C=C\c2ccccc2)nc2c1c(=O)nc(O)n2C 254290639 COBGNFYCVREHPC-BOEZCLRUSA-N 436.560 4.697 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCCC 406288228 USHZTHXLQKNXOB-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 460806778 XTMJGCDXGBUBRF-QHCPKHFHSA-N 448.567 4.834 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 511015856 SOUVQOVSLPGMBG-QHCPKHFHSA-N 449.551 4.887 30 10 IJEE C=CCCCN(C)C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 522951307 ZOZDFQDVGDWDMZ-UKILVPOCSA-N 436.552 4.613 30 10 IJEE CCc1noc(COc2ccc(Oc3c(C#N)cnc4c(F)c(F)c(F)cc34)cc2)n1 561213482 DBCGDZTUGPCMBS-UHFFFAOYSA-N 426.354 4.840 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 570109322 HIWKPNSGSRDGGD-UHFFFAOYSA-N 445.567 4.522 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)c1 586003945 FBAZZHISUWCZIT-FQEVSTJZSA-N 441.522 4.837 30 10 IJEE N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 610278112 TZBOLFGTAXGIMW-CQSZACIVSA-N 435.409 4.958 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1c(Br)cccc1[N+](=O)[O-])C2 712748629 WHGLIMWTSCQPSW-STQMWFEESA-N 436.306 4.681 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCCc3nc(C(F)(F)F)cs3)c2)s1 743624121 DGTJTPWNJBYYQT-UHFFFAOYSA-N 436.484 4.804 30 10 IJEE CC(C)(C(=O)NCc1ccc(OCC#N)cc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 778698985 GHTKIBMYISEYEY-RUZDIDTESA-N 444.531 4.544 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(Cl)cc1Cl 787047898 DRYUCYWPLISJMQ-PHKINGBFSA-N 437.273 4.961 30 10 IJEE N#Cc1ccnc(N2CCC[C@H](OC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)C2)c1 791983597 RDAPIIVBSXEIRT-PBXDPIQXSA-N 435.833 4.765 30 10 IJEE C=CCOc1c(Br)cc(/C=C\C(=O)c2ccc3nc(O)oc3c2)cc1OC 794716804 VLGINVHJFYWZHG-DAXSKMNVSA-N 430.254 4.765 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)OCCCC3(C#N)CCOCC3)c2C)cc1Cl 800136108 LEOHYSAHRVMQCA-UHFFFAOYSA-N 429.948 4.637 30 10 IJEE COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 863939501 AXUNMKJUPIIRII-QZTJIDSGSA-N 428.488 4.657 30 10 IJEE C=CCOC(=O)/C=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 1084044359 DFPJIAZCSBALJZ-POHAHGRESA-N 438.236 4.752 30 10 IJEE C=CCc1cc(/C=C2/S/C(=N\C)N(C)C2=O)cc(OC)c1OCc1ccc(F)cc1 1084203767 MSADXHXEVWFZME-UHCYRAGWSA-N 426.513 4.674 30 10 IJEE O=C(CCSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1ccc(Cl)cc1 1084358154 NHEZKBUUGHTBBL-OHIIRZTFSA-N 426.933 4.690 30 10 IJEE CCC1(C(=O)Nc2ccc(Br)c(C#N)c2)CCN(C(=O)c2ccccc2)CC1 1129357665 CBWGPTSYISGFGN-UHFFFAOYSA-N 440.341 4.592 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(c2ccccc2OC)CC1 1135060305 BIUWNBKFDMMWII-UHFFFAOYSA-N 434.458 4.631 30 10 IJEE C#CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1158448522 YEKHJPAADYBKFV-RUZDIDTESA-N 430.548 4.564 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(Br)ccc1OC 1167839773 GLLAQKATJRITQN-AWEZNQCLSA-N 428.323 4.613 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3oc(COC)nc3c2)cc1OC 1177968295 ZHAZUQLHYRIASI-UHFFFAOYSA-N 433.302 4.922 30 10 IJEE C=CCn1c(SC[C@@H]2CCC[C@@H](C(F)(F)F)O2)nnc1[C@H]1COc2ccccc2O1 1188283081 TXBJXNCWQDAQJJ-XKQJLSEDSA-N 441.475 4.569 30 10 IJEE N#Cc1ccc(Br)c(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 1189901240 CVMYOOHKCDJBOE-HXUWFJFHSA-N 445.313 4.806 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 1202379722 YPFYGDZSXQRUJF-UHFFFAOYSA-N 441.597 4.920 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1 1208012765 ZPJBRJMJJWSOEQ-QGZVFWFLSA-N 429.948 4.794 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)[C@H](C)CC)cc1 1211421998 NSSVMAORPDINRR-LJQANCHMSA-N 428.598 4.850 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)C(=O)NC(C)(C)C 1219156599 AOQXQUSKLBRITD-CYBMUJFWSA-N 430.961 4.788 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C1CCCCC1 1221909438 HQRUUFFRRAMHRQ-RTWAWAEBSA-N 428.577 4.804 30 10 IJEE C=C(C)[C@H](NC(=O)N(CCN(C)C(=O)OC(C)(C)C)C(C)C)c1ccc(F)c(F)c1 1234566499 NEOCYSUZSIJKSR-IBGZPJMESA-N 425.520 4.869 30 10 IJEE C#CCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1251568598 VWVPNFUZTQCQMY-SIKLNZKXSA-N 427.589 4.792 30 10 IJEE Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1c(C)c(C#N)nn1-c1ccccc1 1274168364 BUJQMYBSZVTKLD-UHFFFAOYSA-N 431.477 4.520 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1 1286318200 SUJNCPOLWQGPEM-MRXNPFEDSA-N 447.352 4.850 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1286328100 NEKHBWMXDSNSQS-IBGZPJMESA-N 425.646 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCC(C)(C)C1 1286571924 UNBFHBVYESIRDV-UHFFFAOYSA-N 434.632 4.961 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(C)C)C1 1286621228 ACVIWUZVUODDNZ-CQSZACIVSA-N 426.790 4.671 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286687152 NAUIIHIENHTQLV-UHFFFAOYSA-N 427.618 4.624 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1286704520 WGIFVQFDFDIFST-UTKZUKDTSA-N 442.560 4.990 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@H]1C(C)C 1286740709 VDMLLHALVWJHSO-QPPBQGQZSA-N 449.599 4.546 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCCC1(C)C 1286748098 STJRJHQLDPUKRO-VWLOTQADSA-N 437.563 4.557 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)c2)c1 1290115677 ALNGFOSVGPUUHJ-AREMUKBSSA-N 425.532 4.704 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 1292716985 MFDIRLXMGXGMCY-UHFFFAOYSA-N 445.910 4.856 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1csc(Br)c1 1300403899 QIOXZPHASYCKSG-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1300602123 OCMCJCKGXHNOPB-AMZDPNTKSA-N 436.600 4.700 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCCC(C)(C)C 1300649113 KUKJOFXSECUBHQ-UHFFFAOYSA-N 436.579 4.745 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC(C)(C)C)CC1 1300683996 VTULRHFIEWVEKW-IBGZPJMESA-N 444.023 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(Cl)s1 1300790078 HAFSQIZPNVRYPW-JOCHJYFZSA-N 442.972 4.718 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C)c1ccccc1 1301009115 GYPFWNXNBBRRCS-PKTZIBPZSA-N 431.584 4.617 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(OC)C2CC2)CC1 1301072526 KLPGOIBOHDNDFG-JOCHJYFZSA-N 445.405 4.988 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccn2)n1Cc1ccc2c(c1)CCCN2C 1301168869 VQMJNFHJWPPJKH-UHFFFAOYSA-N 430.600 4.953 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@H](C)C1 1301308640 HYSYGZWPMLZNHT-UXHICEINSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCSC1 1301338446 YLLMDYOXJNWKLY-HXUWFJFHSA-N 435.597 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccc(Cl)cc1 1301359202 GWMOOLDSISGEGT-UHFFFAOYSA-N 436.972 4.885 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(-c4cccs4)cc3)ccc2c1=O 1306871883 IXKDQSKMKQQTFV-UHFFFAOYSA-N 433.558 4.530 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3c(CC)ccc4ccccc34)ccc2c1=O 1306893270 FUTATGUDXNWXDR-UHFFFAOYSA-N 429.545 4.517 30 10 IJEE C=CCn1c(SCC[C@H]2Sc3ccccc3NC2=O)nnc1-c1ccc(OC)cc1 1307252106 JSTYJAHZNVPJOH-LJQANCHMSA-N 438.578 4.735 30 10 IJEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N 1307565143 CSZBWDCUFSQEEE-HXOBKFHXSA-N 448.633 4.548 30 10 IJEE Cc1ccc(C[C@H]2CCCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2)cc1 1312537238 CFMMJXCOWHJSNX-DNFKCEGXSA-N 432.568 4.616 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](OC)c1ccccc1)c1ccc2c(c1)OCO2 1347910800 YCHKUXMKAPVNKP-RUZDIDTESA-N 431.488 4.901 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ccc(OC(F)(F)F)cc1 1351080401 PMGZHXAWYZXPGM-UHFFFAOYSA-N 438.398 4.647 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3c4ccc(OCC)cc4[C@H](C)CC3(C)C)cc2C1=O 1352344115 MIFYIEQVGWAYFD-MRXNPFEDSA-N 432.520 4.800 30 10 IJEE CCN(CC)[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 1352615247 BTGBLVXEZGEWLK-AREMUKBSSA-N 427.548 4.950 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](C)CCc2ccc(Br)cc2)c(OC)c1 1355704567 QNMKHINPHHEHPX-MRXNPFEDSA-N 432.358 4.703 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cc(C)on1 1358916551 PAOSPWJIRFMSSH-UHFFFAOYSA-N 435.572 4.891 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(C)(C)O 1359067076 ZXHDEBLWINLMOT-XMMPIXPASA-N 438.572 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC1(SC)CCC1 1359074833 SLTPGTYICDKXMW-JOCHJYFZSA-N 442.654 4.857 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(CC)CC(C)C 1359102550 CKGIVNPUXSJGRK-ZJSXRUAMSA-N 426.605 4.937 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCSC2)C1 1359118881 IYSUXRIUIGGIFC-HXUWFJFHSA-N 433.419 4.926 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@@H]1CC 1359149677 GCGHREKWJWOSNG-NXHRZFHOSA-N 438.016 4.770 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1ccco1 1359199246 PBNNTDUVHRRBAO-HXUWFJFHSA-N 440.569 4.639 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359201014 ZEPWNMAXRWSHEK-OAQYLSRUSA-N 442.579 4.995 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359201069 BHRNJUMKTMPOHG-LJQANCHMSA-N 433.478 4.561 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1359208327 JWZKSIUZQMBYMJ-UYAOXDASSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1Cc2ccccc2C1 1359209787 ZFTQKLIFHBJURI-UHFFFAOYSA-N 426.362 4.606 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359266719 KLSFEHRJMXGAPV-IYWMVGAKSA-N 428.552 4.939 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1359267080 USLGIIQHBLIBBR-WOJBJXKFSA-N 437.588 4.529 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(C(=O)NCC)CCC1 1359268162 GKDGKPHWDKCQTE-UHFFFAOYSA-N 435.616 4.727 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCc1ccccc1 1359290421 AJMLZXHLRVWIHA-FQEVSTJZSA-N 425.577 4.605 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@]12CCC(=O)N1c1ccccc1S2 1436641540 SMSOFSBNBPKLCR-HXUWFJFHSA-N 445.338 4.581 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C)c1ccc(Cl)cc1F 1436653747 WQPFKVSKWPUNKV-HXUWFJFHSA-N 425.891 4.804 30 10 IJEE N#Cc1cc(F)cc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 1438461660 CUVDRVBMPJCARB-UHFFFAOYSA-N 436.283 4.832 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)C1 1454047795 BUXZWEXCGAOAQU-OAQYLSRUSA-N 438.593 4.624 30 10 IJEE C#CCCOc1ccc(C(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1 1456277447 KUXXIZACRJIMHS-UHFFFAOYSA-N 431.513 4.568 30 10 IJEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)/C=C/c1ccc(C)cc1 1463114381 SQJUTZVZGGVNTJ-IXDOJHRFSA-N 446.366 4.517 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)C(=O)OC(C)(C)C 1464282736 RBFSNNSPHCFUPO-NRFANRHFSA-N 430.907 4.555 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)CN(C(=O)OC(C)(C)C)C1 1465378347 UAPPRINUXCAZOA-UHFFFAOYSA-N 444.572 4.552 30 10 IJEE CC(C)(C)Sc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 1466671541 ARPYWAUUUQYLJF-LJQANCHMSA-N 440.544 4.511 30 10 IJEE O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1nn(-c2ccc(F)cc2F)cc1O 1467736521 ICXUEIATZVJSHW-UHFFFAOYSA-N 449.282 4.729 30 10 IJEE C=CCCC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)C(=O)OC 1471894902 HXRSFGJMPQEUAG-HJTJBWIJSA-N 430.504 4.942 30 10 IJEE C=C[C@@H](CC)CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1472125081 WPHJYPHLCLIKMO-IBGZPJMESA-N 428.573 4.780 30 10 IJEE C=CCC[C@@H](NC(=O)CCc1c(C)nc2cc(O)nn2c1C)c1ccc(C(F)(F)F)cc1 1472533879 DKVUJTGADMBXLQ-LJQANCHMSA-N 446.473 4.827 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 1478806382 ZABSSFXMNYROPK-SFTDATJTSA-N 429.358 4.719 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cc(COC(C)(C)C)on1 1492565102 BSVRUNGSKLQASA-VWLOTQADSA-N 448.571 4.735 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)CCC(C)C 1507516322 KLDGUMDPPCZZSA-HWHXTQLESA-N 426.605 4.680 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncccc1C 1507516414 KYJBQUXDTXWTIY-OALUTQOASA-N 437.975 4.898 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(N(CC)CC)CC1 1507562346 KCVPWIQUKUHDFR-UHFFFAOYSA-N 430.600 4.607 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCCO1 1507573715 JFPBRRUAOPVYEM-UYAOXDASSA-N 430.980 4.717 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nc(C(C)C)cs1 1507618206 JLKQFCXEYYYGKT-UHFFFAOYSA-N 437.613 4.987 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC(F)(F)C1 1507642967 OHPYFEAGVBAXBC-SJORKVTESA-N 432.902 4.580 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)C(C)C 1507679921 TYFAUXUJDUXZRG-MBSDFSHPSA-N 432.996 4.555 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507756268 HXFPRHDTUMEOTG-HDICACEKSA-N 448.583 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCCSC 1507766610 VIIOOJDGFDRQPC-HXUWFJFHSA-N 433.419 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](CC)N1CCc2ccccc2C1 1507826638 WCJZDOMBDPDPNA-RUZDIDTESA-N 444.627 4.503 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@H](SCC)C1 1507839785 VKNSSGLENLPTPR-NRFANRHFSA-N 430.618 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1507916836 HDGOVHVNBNWCAW-FQEVSTJZSA-N 438.620 4.789 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1C1CCCCC1 1508038758 DHDJYUPIJUTUQP-OAQYLSRUSA-N 441.595 4.520 30 10 IJEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CCCS1 1510343463 FHFMXQWUPSLOSU-PXNSSMCTSA-N 435.519 4.881 30 10 IJEE C=CC[C@@]1(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)CCCN1C(=O)OC(C)(C)C 1516974990 GUDFKUKMJFDBAH-NRFANRHFSA-N 440.462 4.777 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc3cncc(Br)c3n2)C(F)(F)F)cc1 1521343411 CNGYNFBTGBLVEI-KRWDZBQOSA-N 435.199 4.834 30 10 IJEE C=CCn1c(SCC(=O)OCc2cc(C(C)(C)C)on2)nnc1-c1ccc(Cl)cc1 1526272646 MDZFJDZIHOFHAT-UHFFFAOYSA-N 446.960 4.906 30 10 IJEE C=C(CNC(=O)c1cc(I)cc(C(F)(F)F)c1)c1ccccc1 1527585840 QTNWUXBSLVETOK-UHFFFAOYSA-N 431.195 4.753 30 10 IJEE C=CCN(C(=O)c1cc(F)c(C(F)(F)F)cc1F)[C@@H](Cc1ccccc1)C(=O)OCC 1529014324 FRASYNUDZRATDR-IBGZPJMESA-N 441.396 4.786 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 1529486018 TVDBIINMXZLEIS-UHFFFAOYSA-N 443.219 4.803 30 10 IJEE C=CCc1ccc(OC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)c(OC)c1 1529603930 FOIKTPMNYHLSAA-DEOSSOPVSA-N 429.472 4.585 30 10 IJEE Cc1nc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)sc1Cc1ccc(F)cc1F 1530727905 CBMHVYRJOONXIX-FQEVSTJZSA-N 438.503 4.800 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3c(F)ccc(Cl)c3s2)CCCN1C(=O)OC(C)(C)C 1531838544 RWACZSKCIIGTOL-HXUWFJFHSA-N 437.924 4.820 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Oc2c(F)cc(C#N)cc2Br)cc1OC 1533440978 CVSMFIHTTVZTSG-ALCCZGGFSA-N 432.245 4.652 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC(Cc2ncc(C(=O)OC)s2)CC1)c1ccccc1 1533825225 PXDPYGDQMKRHOP-HXUWFJFHSA-N 426.582 4.851 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1539068027 OLDSEFJDDYVGLT-HSZRJFAPSA-N 428.584 4.557 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc3ccccc3nc2Br)c(OC)c1 1539266622 YOTPWMGJJDEZDA-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(c2ccc(Cl)cc2)CC1 1539347264 HJBRWUMDKHBPEI-UHFFFAOYSA-N 433.733 4.759 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCN(CC)C1 1539347373 QPKMZNCTUGFLQC-MRXNPFEDSA-N 428.005 4.615 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1539499035 BTNHGXRMKKVCJH-HZPDHXFCSA-N 447.446 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1539621700 AYULVEJGYHVCAZ-MNAPGUCWSA-N 442.579 4.705 30 10 IJEE C=CC[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC)c1ccccc1 1539941009 YKVDXYAVDSRIJC-HSZRJFAPSA-N 445.615 4.658 30 10 IJEE C=CCCCn1c(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)nnc1C(C)(C)C 1540019373 AIWZZWHWJBKTQQ-UHFFFAOYSA-N 434.588 4.519 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1540049901 VKTNIBVOVWUOQY-DWKCODDLSA-N 430.980 4.635 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1540086863 FEUXBJZZNSIFHL-LJQANCHMSA-N 425.621 4.607 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(F)cc1Cl)C1CC1 1540094056 BNVYFSJPTDWFKV-QHCPKHFHSA-N 448.970 4.509 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1cc(Cl)c(OC)c(OC)c1 1540146374 FAGHEWZIMZNODR-UHFFFAOYSA-N 432.977 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)C 1540146931 GJOXDGAHQQVHKT-HDICACEKSA-N 445.633 4.959 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)N1CCC(C)CC1 1540147120 NVNSPZRYTPGIOH-SFTDATJTSA-N 443.661 4.547 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)s1 1540453771 FCEMCLVLTSTNLD-HNNXBMFYSA-N 442.075 4.853 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(F)F)C1 1540922307 KFXFUJWKBVUAQI-BRWVUGGUSA-N 428.593 4.597 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccc(Cl)c(F)c1 1543578500 GDVOBHMEKUJTHX-DYESRHJHSA-N 427.907 4.872 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1547523476 BNAMQBXZZAFSSR-FQEVSTJZSA-N 435.553 4.509 30 10 IJEE CCCc1c(NC(=O)Cc2cc(Br)ccc2C)cnn1-c1cccc(C#N)c1 1556254650 CIFQRUSSORYEQJ-UHFFFAOYSA-N 437.341 4.949 30 10 IJEE C=CC1(CC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CN(C(=O)OC(C)(C)C)C1 1556837384 SFIAQKIMRDUZFV-SAABIXHNSA-N 449.389 4.625 30 10 IJEE C=CCn1ncc2ccc(N[C@@H](C)CC(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc21 1561028447 JQBBAZKOLSMECU-AWEZNQCLSA-N 440.569 4.907 30 10 IJEE COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 1561267449 CBIVUVCSNMEAJM-RUZDIDTESA-N 434.561 4.587 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2nc(C)c(Cc3ccc(Cl)cc3F)s2)CC1 1562806908 NCBFAFVAPHFMMK-UHFFFAOYSA-N 436.984 4.997 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)NCCSCCOc1cccc(Br)c1 1564068432 MACQPKBMZKELDS-QGZVFWFLSA-N 427.408 4.701 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 1566618135 KAWVIJZZSYKZHL-CYBMUJFWSA-N 432.830 4.556 30 10 IJEE C=CC[C@H](NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)C(=O)OCC 1567456886 JPKTZEVCSJIODU-KRWDZBQOSA-N 446.334 4.634 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)[C@H]1CCCc2ccccc21 1585188920 HWLOVQYVPLNNEG-BVAGGSTKSA-N 428.576 4.695 30 10 IJEE O=C(c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)N1CCC[C@@H](F)C1 1585540501 CQANBGVZTIPHNV-CYBMUJFWSA-N 449.370 4.973 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)CCCC1(C)C 1586319387 HGTXRLIHKZNNJL-QFIPXVFZSA-N 426.601 4.902 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1ccc(C)c(OCc2csc(Br)c2)c1 1587381659 BDNNJYRFPMENGQ-KRWDZBQOSA-N 436.371 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCc1nccs1 1587667708 LOWOJHUYEBJVPE-IBGZPJMESA-N 437.613 4.836 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1587738975 MVNMZLGEGPPILF-XZOQPEGZSA-N 431.584 4.937 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(OC2CCCC2)CC1 1587787454 NLOPDLFNALGXRP-UHFFFAOYSA-N 436.600 4.897 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 1589505515 NAPUUBRQFUJKFZ-AZUAARDMSA-N 445.489 4.577 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1593600548 PZHNUOIXQVVNKD-UHFFFAOYSA-N 427.961 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC[C@H]1C 1594473586 VNWUZBAEQQOGOY-GOSISDBHSA-N 428.577 4.568 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1594559118 FDMJUFANPFBPNQ-NRFANRHFSA-N 435.572 4.543 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 1594661475 UGWFDOXGMMQRTC-TUNNFDKTSA-N 440.636 4.671 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCOC2)C1 1594766811 DUOJTWSSQTWXMH-NRFANRHFSA-N 437.371 4.747 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[C@H](O)C2)C1 1595689137 RXNSBAYNINQLJL-WTIAFYNJSA-N 438.616 4.575 30 10 IJEE Cc1cc(Cl)ccc1O[C@@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 1595819347 BCPYOQWCIZLGEH-XUZZJYLKSA-N 447.922 4.715 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1595901317 SZGBBTJXULQYAP-NRFANRHFSA-N 446.686 4.971 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2nc(O)cc(CC)n2)c1 1596259793 UFUQMSLSRNJIQO-LJQANCHMSA-N 440.544 4.600 30 10 IJEE N#Cc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)n1 1611048240 ACWGJGNLHJRLFB-UHFFFAOYSA-N 430.265 4.578 30 10 IJEE C#Cc1cccc(N(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)Cc2ccccc2)c1 1616287551 PLBKWECJQVJGPC-UHFFFAOYSA-N 446.472 4.861 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@@H](C)C2)c1 1616456302 GFYGHTMKKXAVJX-SJORKVTESA-N 432.973 4.640 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@](C)(CO)c2ccc(Br)cc2)cc1OC 1620933177 IKYXEFYXVDRKBW-FQEVSTJZSA-N 440.765 4.673 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)nn1-c1cccc(Cl)c1 1626653425 TZOAZCQNBBFAHK-MRXNPFEDSA-N 439.343 4.809 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)c1 1629059110 JKBUTAAOEKENBB-QFIPXVFZSA-N 437.586 4.567 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(C)(C)C2(C)C)c1 1629178246 FUAXPRDSSNJEDF-UHFFFAOYSA-N 447.000 4.982 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 1629973695 LTXGFIQLWLNMGP-OAQYLSRUSA-N 444.579 4.599 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl 1634843671 YYAGNIHHYXUTRN-INIZCTEOSA-N 430.291 4.607 30 10 IJEE C#CCC[C@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 1635011877 NABZXUSGEKCPHR-DGDHUYAWSA-N 430.935 4.879 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCC[C@@H](c4cccc(Cl)c4)C3)CC2)c1C#N 1636107488 HZSXMQSEKCTWAP-MJGOQNOKSA-N 444.004 4.535 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3cccc(Br)c3)nnc12 1640590994 JXICCAHTWFFIFG-CYBMUJFWSA-N 441.354 4.846 30 10 IJEE N#CCCN(C(=O)CS[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(Cl)c1 1641222445 DHDIWSBKNBTQFS-QFIPXVFZSA-N 428.001 4.984 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1csc(CC)n1 1649538825 ICMGDNVHNWUXBW-QGZVFWFLSA-N 444.608 4.878 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)N(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)C2)cc1 1653462802 HGJQBQUMXKDTLR-PGRDOPGGSA-N 430.552 4.743 30 10 IJEE C#Cc1cccc(NC(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)c1 1666473722 XULGNMBWVATUFZ-CJFMBICVSA-N 431.580 4.685 30 10 IJEE COc1ccccc1[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)N1CCCCC1 1666978908 CWEQIMWYGOFCSY-SDHOMARFSA-N 446.595 4.704 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)c1ccc(F)cc1 1671367056 BBOLAGPNGAZGAA-MRXNPFEDSA-N 429.211 4.781 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1672860991 MXUXEOVOMWZAGJ-ICSRJNTNSA-N 449.617 4.516 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1 1674212778 WLDOLEKICHHXJL-YADHBBJMSA-N 433.508 4.678 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)C[C@H](O)c1cccs1 1678356001 ILBPKLDFMNMBEU-DOMZBBRYSA-N 425.348 4.709 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 1678457050 ODLMWIZTIVNXDG-IBGZPJMESA-N 446.320 4.759 30 10 IJEE C#CCN(C(=O)NCCc1ccc(F)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1678677811 VAANJAVMEKOHOL-HXUWFJFHSA-N 445.332 4.608 30 10 IJEE C#CCN(C(=O)NCc1cccc(Oc2ccc3ccccc3c2)c1)C1CCN(C)CC1 1682243306 YVBIPLDRZZCICW-UHFFFAOYSA-N 427.548 4.871 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2ccc(Br)cc21)c1ccc(Br)cc1 1686920431 XRSMBFCFRVKISU-MRXNPFEDSA-N 434.131 4.658 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690095457 QYEUKCVFFDQETK-WMZOPIPTSA-N 440.897 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)N1CCC(C)CC1 1690196004 VDCPUOCFGHUSJI-YADARESESA-N 426.008 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)C(=O)NCC 1690258258 ADEBMHIWMRZELJ-UHFFFAOYSA-N 425.621 4.807 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1690279386 FJQWHKYJGJAKRP-HKUYNNGSSA-N 429.996 4.696 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1690394487 BHFHPPDLGJYDCT-AEFFLSMTSA-N 441.542 4.893 30 10 IJEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1c(C)nn(C)c1C 1690467088 LERZKLSQDQXVJU-UHFFFAOYSA-N 431.588 4.693 30 10 IJEE C=CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)Nc1ccc(C)c(C)c1 1690495510 CCIUZXSCVBPSCV-GOSISDBHSA-N 441.486 4.634 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1690519592 PAZVRLLASYXBIE-AWEZNQCLSA-N 437.947 4.615 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCO[C@@H](C)C1 1690533671 RITAQOZZKNDWGP-HOTGVXAUSA-N 439.387 4.991 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1690572297 YJKLVKRJMGIRCU-NLFFAJNJSA-N 442.579 4.537 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C 1690602312 LRLLWQIRTVOYST-DEOSSOPVSA-N 444.627 4.696 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1692673342 FQKLMUNCFSTELI-ROUUACIJSA-N 435.597 4.761 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1Br 1693709040 CZEWCXZPSACPRH-KGLIPLIRSA-N 442.386 4.924 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1cccc(C)c1 1705523273 UZGALPBKPZRFGC-DHIUTWEWSA-N 438.616 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCc1ccc(C)c(OC)c1 1705718484 NDYFLVJOCRSPQX-UHFFFAOYSA-N 425.602 4.596 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)C1 1705731667 ZXNMAIISZJRIST-SJORKVTESA-N 437.009 4.606 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1CSC 1705799883 JBLFICMKYJPYEJ-FQEVSTJZSA-N 427.618 4.835 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1705838896 HBLMNSZFQHUDLF-QZTJIDSGSA-N 428.577 4.568 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCCn1ccnc1C 1705862755 VDGMNZKBCNMWJA-UHFFFAOYSA-N 434.519 4.773 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](OC)c1ccc(F)cc1 1705879090 MIEHAODMIQLSCF-NRFANRHFSA-N 426.536 4.931 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CCN(C)C3CCCC3)cc2C1 1708023186 FNCSMCOWRYISPQ-ZWKOTPCHSA-N 440.661 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(Cl)s1 1722474900 SYMBKXPIHHLONC-HSZRJFAPSA-N 441.000 4.827 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)(F)C1 1722489980 ZJEOLWRWNZRGDF-UHFFFAOYSA-N 445.739 4.912 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1722524602 FRLXDBKEKRZFRN-QFIPXVFZSA-N 437.632 4.795 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCSC(F)(F)F)CC1 1722564201 KKJNBZXZRIWPON-AWEZNQCLSA-N 430.471 4.967 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(C)CCCO2)CC1 1722570281 YBNUDKWATKEUBI-OAQYLSRUSA-N 437.371 4.889 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCSC)CC1 1722581348 UCXSLOKIDKDEQL-IBGZPJMESA-N 449.665 4.896 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722612166 FPNKDLFPKJEKMO-UHFFFAOYSA-N 435.616 4.703 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCn1cc(Br)cn1 1722635490 RSGZQJTZHPQBMJ-UHFFFAOYSA-N 443.393 4.524 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1N(C)CCCC1(C)C 1723761085 ADPOMGDUEVOOQZ-XMSQKQJNSA-N 432.572 4.728 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CCC(OC)CC1 1740662990 UMDMAUWOMQAYOY-UHFFFAOYSA-N 432.515 4.601 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1740666094 CCCPTBIIODUPOP-VXKWHMMOSA-N 444.627 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC(O)(CCC)CCC 1740734619 KPPKRNHACLVHJL-HSZRJFAPSA-N 445.007 4.834 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC)CC1 1740754973 XBHDEJFUWYUMGK-AUSIDOKSSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1740759528 JXAYFHJSKYRKFP-PGRDOPGGSA-N 426.586 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc(F)cc1)C(C)C 1740764975 MQMREJNCPKDKGW-NNWRFLSQSA-N 428.552 4.665 30 10 IJEE C=C(C)COCCn1c(N(C)Cc2cnc(C)s2)nnc1C1(c2ccccc2)CCC1 1740798062 XODYQNGMPSSDRV-UHFFFAOYSA-N 437.613 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740845001 AMOKWGGGYVGFIB-MJGOQNOKSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(SCC)c1 1740893101 XHCGEBFGNMTWMZ-UHFFFAOYSA-N 432.391 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1740896239 LOQZRJFIEZMRPX-SFTDATJTSA-N 434.632 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[S@](=O)C(C)(C)C)C1CC1 1740907797 YRXUFKFKZYUYSS-PMERELPUSA-N 428.646 4.945 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1740913571 PMZQKEDATSOBEW-HSZRJFAPSA-N 437.632 4.749 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCSC[C@@H]1C)C(C)C 1740926797 LBPHBSYHBYQMRB-RBBKRZOGSA-N 425.646 4.585 30 10 IJEE C=CCSCCn1c(N2CCC(C)=C(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741004818 NCZJEUZWDCXMHV-KDURUIRLSA-N 447.649 4.515 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1coc(-c2cccs2)n1 1741801290 AIHHDQQSMFGANN-HNNXBMFYSA-N 436.516 4.511 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1749024453 QUKCFUAIQASMQA-QFBILLFUSA-N 432.540 4.682 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1749029036 IXLWLFXUCSRCAC-OALUTQOASA-N 433.021 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC)CC1 1749133159 IGSDOJILSDHXRF-MBSDFSHPSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1-n1cccn1 1749149297 YXDDJSSANXPJJX-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=CC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNC(=O)[C@H](C)CCC)CC1 1749331116 VJDDCUJTYWCIOZ-OAQYLSRUSA-N 449.643 4.703 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749359271 XYRPXGPBLSGRPJ-SIKLNZKXSA-N 434.588 4.594 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(CC)CCOCC1)C1CC1 1749508392 PUGFXMSYGRGINC-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(O)CCCCCC2)C1 1749699082 ZENCPGWBOYRBDE-XZOQPEGZSA-N 438.616 4.687 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCC1CCN(CC(F)(F)F)CC1 1760105158 BWCAMEPVRXHVTN-GOSISDBHSA-N 447.549 4.630 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@]1(C)C#C 1760133961 VSBXJFBNACVERL-JOCHJYFZSA-N 441.373 4.512 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(Br)c1 1760137898 YZCXOEDTSANNIB-IBGZPJMESA-N 431.378 4.722 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccs1 1760143860 VFRNDEYWLHHZDM-IBGZPJMESA-N 443.617 4.852 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCCN(c2nccs2)CC1)c1ccccc1 1760363002 BVFNUADRGUOWRC-UHFFFAOYSA-N 436.629 4.753 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCCN2CC)CC1 1760385834 ANAJZDVDPXQZCV-SFHVURJKSA-N 444.421 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760413371 GOBKGMFVFQTRPK-JOCHJYFZSA-N 431.584 4.832 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760422164 BIPVGXGEEYVPCR-LJQANCHMSA-N 438.576 4.520 30 10 IJEE C=CCCCCn1c(N2CCS[C@@H](C)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760430871 WVIRBODHYYRPNT-CADBVGFASA-N 449.665 4.735 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCc1cccc(C)n1)C1CC1 1760469498 IRWAVCVKQLNHGC-UHFFFAOYSA-N 438.373 4.809 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1ccccn1 1760499146 PNTVWMZENOPERN-HSZRJFAPSA-N 445.611 4.780 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1760562976 BHZFDICFNLLPBV-LJQANCHMSA-N 439.654 4.809 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1760569263 JFVCFSPLVPJOHU-SFHVURJKSA-N 430.618 4.657 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCn1cccn1 1760688349 GMBJYOYIJHOJDR-HNNXBMFYSA-N 439.976 4.696 30 10 IJEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)s1 1761777159 AEAGSXRDAIDDND-RTBURBONSA-N 439.560 4.873 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C(C)C 1762643765 GEADQROTIZAFKA-HTAPYJJXSA-N 448.571 4.762 30 10 IJEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2sccc2C)cc1OC 1767527795 FYEZDDOOZMNEBQ-INIZCTEOSA-N 439.585 4.561 30 10 IJEE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNc1ccccc1)CCC2 1772751005 RZMAWFBGNKJTLN-UHFFFAOYSA-N 446.526 4.842 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861455899 OAJGDMQFWNMMRI-HXUWFJFHSA-N 446.661 4.844 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)cc1 1862413566 GOAJCEKNFFHTOV-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCC4(CC3)OCCO4)[C@@H]2c2ccc(C)cc2)cc1 1862475394 KQOLLISJSDZROX-HSZRJFAPSA-N 447.531 4.567 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(CC)cc2)cc1 1862529918 LJGCUDZYKMRFGN-DEOSSOPVSA-N 434.580 4.732 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1[N+](=O)[O-] 1862547626 ZBXZHPMANBPOKA-OYHNWAKOSA-N 434.492 4.850 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862631573 CWHGSZNHFCMJHW-SFHVURJKSA-N 434.275 4.710 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862645419 HYNRZSYUNCARHF-SFHVURJKSA-N 436.266 4.905 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862660852 NTXBVMFAUJKPJZ-NRFANRHFSA-N 426.944 4.603 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc2ccccc12 1862705059 PDOFXRFESVCSTG-XMMPIXPASA-N 445.515 4.853 30 10 IJEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(CCCCc3ccccc3)C2=O)c1 1863477732 FZSSIEYWEIGJMG-UHFFFAOYSA-N 427.529 4.835 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCCN(C)C)C1=O 1863790726 LRHCVKOSTSUMEZ-UHFFFAOYSA-N 431.596 4.506 30 10 IJEE CCCC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867734062 SABLKTNLRRFGSC-BJKOFHAPSA-N 435.568 4.700 30 10 IJEE CCCC[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867734064 SABLKTNLRRFGSC-RPWUZVMVSA-N 435.568 4.700 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870245133 ZGQUWNOYBOUJAT-UHFFFAOYSA-N 447.560 4.519 30 10 IJEE C[C@@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2F)C1 1870350467 HPCZDOBMAXYSQJ-HXUWFJFHSA-N 445.538 4.718 30 10 IJEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870436255 RAWPINVXVJCUMA-UHFFFAOYSA-N 449.636 4.518 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(OC)cc2)cn1CCC(C)C 1870459517 ZYDKHNLQIWUARI-UHFFFAOYSA-N 440.584 4.535 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(OC)cc1 1871216291 NZAIOSDGQYNSLQ-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc(O)c2CN(CCO)Cc1ccccc1 1871393847 NEORCUFQZHUVMI-OSQZJZEBSA-N 427.500 4.559 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871640197 PDDAYZATOTZXDH-UHFFFAOYSA-N 442.611 4.855 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccccc2)nc(Nc2ccc(OC(C)C)cc2)[nH]1 1871721594 WAJNHZRDSCPRAG-UHFFFAOYSA-N 444.583 4.657 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872373188 ZLBCEDUTGYXHKM-CRAIPNDOSA-N 434.524 4.677 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(OCC)cc1 1872525985 NJLFOGANYZMDRE-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(NCCCOCCCC)ncnc21 1873608277 SLOWMRAPJBPRAM-UHFFFAOYSA-N 425.508 4.627 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OC(F)(F)F)cc1)n2CC(C)C 1873612711 JSJDNCGZAUSEHH-UHFFFAOYSA-N 433.434 4.836 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccs1 1874281584 QIEFYXGMHHOBQE-LPYMAVHISA-N 449.001 4.706 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 1874384336 KIASUCKKGCYBFN-BUVRLJJBSA-N 445.504 4.940 30 10 IJEE COc1ccccc1/C=N/n1c(CC2CCCCC2)nnc1SCC(=O)OCC(C)C 1874408706 LMUGEFRGPXMHBT-ZVHZXABRSA-N 444.601 4.583 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1sccc1C 1874440050 GULWMXNKMXESSZ-HYARGMPZSA-N 435.663 4.860 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)c1OC 1874441975 ORJBTLQZPRLLQI-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE Cn1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)c2ccccc21 1874442416 BLEUGOMPBMWSLS-RNRKLAHPSA-N 435.528 4.935 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)o1 1874519453 TYYPUYKMKHLGJS-SSDVNMTOSA-N 430.917 4.753 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(F)cccc2Cl)cc1C 1874528668 VMOZQUHKRQSEMS-AUEPDCJTSA-N 431.924 4.609 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874533820 CQJOYKMTRDSFRI-SCELWYEFSA-N 435.597 4.736 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)c(OC)c1 1874587743 BIQXIEYTICHROM-SDNWHVSQSA-N 435.451 4.757 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OCC(=O)NC1CCCCC1 1874597839 HLCLIOJAPZTZSQ-YRNVUSSQSA-N 429.463 4.697 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(OC)c2)cc1Cl 1874636910 ZCHPYIMXCZCUSB-VMPITWQZSA-N 432.900 4.831 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)cc(N(C)C(=O)OC(C)(C)C)cc1C(=O)OC(C)(C)C 1887521632 GMUVIIXGCSOAQX-UHFFFAOYSA-N 447.381 4.621 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889403354 BPBMTYYLUWQTKL-LBPRGKRZSA-N 436.331 4.659 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1 1894967084 QZAZERFYMYJGAH-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 1926489025 IDSXGMJFZAOVKD-WAIKUNEKSA-N 431.533 4.586 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)c1cccc(NC(=O)OC(C)(C)C)c1 1940969475 ANBPZTIUHBJPSA-QHCPKHFHSA-N 432.565 4.571 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccc(Br)cc2C#N)C2CC2)C1 1962841982 QJEIZPPXDOERPY-LJQANCHMSA-N 434.378 4.685 30 10 IJEE CCCCCC#CC[C@H](NCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2024371339 SVPXGHQEWFPKJM-BJKOFHAPSA-N 429.649 4.964 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cccc(Cl)c2Br)NC)C1 2077087081 CPOVDRWBYLFHIE-OAHLLOKOSA-N 429.786 4.847 30 10 IJEE Fc1nc(-c2c(C(F)(F)F)nn3c(Cl)c4c(nc23)CCOC4)ccc1C(F)(F)F 2081378770 SCYXGRNWXOKQEB-UHFFFAOYSA-N 440.706 4.694 30 10 IJEE CC1(C)CC([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C#N)cc2Br)C1 2181114520 LLLZIAFBCYJEHU-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)Nc2cc(Br)ccc2C#N)CCCCC1 2181131906 ADBCXMSGICTNQH-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CCN(C(=O)OC(C)(C)C)CC1 2187944973 MWUIJYZOPPJZDQ-ZDUSSCGKSA-N 436.350 4.542 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3ccc(Br)c(Cl)c3)c2)OC1(C)C 2199711816 TYVCAOYGZXMQSO-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C[C@@H](Nc1ncccc1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2232282415 PGURQSSMGHEPKD-MRXNPFEDSA-N 439.365 4.901 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2235715523 BDDDULXUTNQZQL-MOPGFXCFSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@H](N)C#Cc1ccccc1Br 2235716053 DMYBISCIEMXQPY-UYAOXDASSA-N 435.406 4.849 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 2235729463 TWQXVUBCLDVSEE-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(F)(F)F)s1 2247930768 KNWUFQQNEFBWGL-UHFFFAOYSA-N 439.308 4.560 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255608503 MHXXDJKXJWUFFC-QAQDUYKDSA-N 430.354 4.522 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2267570299 ANUFXWIXSPHMMU-UHFFFAOYSA-N 444.381 4.547 30 10 IJEE C=CC[C@]1(COc2ncc(N)c(C)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2287853019 SAPOYSFUACXFQK-FQEVSTJZSA-N 440.382 4.707 30 10 IJEE COc1cc(N2CCCC2)c(OC)cc1C=C1SC(=Nc2ccc(C)c(C)c2)NC1=O 2293998875 JELGZALUNLOSRM-UHFFFAOYSA-N 437.565 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@H](O)C#Cc3cccc(Br)c3)cc2C1 2296229817 NIIJRQQUMFAWSJ-QGZVFWFLSA-N 448.382 4.889 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296298595 LUPXZQJEIVWPGB-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296299052 QNPBYYVNQIWQCJ-FFZOFVMBSA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2296305171 PWMXYDNTEDBAJP-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 2306520545 GYMUKOLIQRHECN-LOSJGSFVSA-N 428.573 4.699 30 10 IJEE Cn1ncc(NN=Cc2cccc(OCc3c(Cl)cccc3Cl)c2)c(Cl)c1=O 2322630929 MVVGMACFYGOJRL-UHFFFAOYSA-N 437.714 4.766 30 10 IJEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1OC(=Cc1ccccn1)C2=O 2323232176 KOGGXVPXYKQSQM-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3C2=O)c1 2323273810 CRQZNEJMNMMYAM-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CC(C)COc1c(Cl)cc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 2323369807 QOYBBKNVTVLCQZ-UHFFFAOYSA-N 435.760 4.994 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)c1 2325383049 NKHMXOZPTAGMSX-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(OC)c3)ccc2C1=O 2325571990 QTVDNTLLOAINHY-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE CCn1cc(C=C2Oc3cc(OCC(=O)Nc4nccs4)ccc3C2=O)c2ccccc21 2325589397 RUMOVBXGGSXAQF-UHFFFAOYSA-N 445.500 4.751 30 10 IJEE Cc1cc(OC[C@@H]2CCCO2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2325686240 AUAFCTHABWQLRB-KRWDZBQOSA-N 428.868 4.689 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 2325718648 QJWIPUYTJGTJBP-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2325743300 FSUZQMAYBPWXHX-UHFFFAOYSA-N 436.552 4.705 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(C(=O)O)cc1 2326118058 HQZNWNJBXWWMSG-UHFFFAOYSA-N 444.944 4.820 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 2326809810 PQXIIVZSRKLDOR-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1 2330819830 MYBZVEBPDQIVEP-UHFFFAOYSA-N 425.533 4.619 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 2330967861 GTVYVTPCWUOFOO-QFIPXVFZSA-N 434.565 4.911 30 10 IJEE Oc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)c1 2331017256 OIUMXSNMHPRDSV-GOSISDBHSA-N 432.908 4.802 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccco2)c1 2331169277 YHZNDJZHUIVJDG-UHFFFAOYSA-N 447.520 4.550 30 10 IJEE CCCCc1nnc(SCCc2ccccc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2331339267 TWMBQWIQSZFNFP-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(F)c(C)c1 2331449171 UBOGINUGBJOCCQ-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(F)cc1F 2331665874 MYWPMYXHLIUYSH-UHFFFAOYSA-N 443.523 4.739 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c([N+](=O)[O-])c2)c2ccccc12 2331869498 UYEJHBUMPKUCSB-DEOSSOPVSA-N 447.443 4.737 30 10 IJEE CN[C@H](C#Cc1nc(C)cs1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2338376029 PTXGSACGVWMPNE-MRXNPFEDSA-N 436.375 4.873 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339578543 IFYKHMCRFRIUBN-IBGZPJMESA-N 443.397 4.562 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3ccc(Cl)cc3Br)C2)OC1(C)C 2342482274 LYVCXGUJEORZGR-GOSISDBHSA-N 428.563 4.801 30 10 IJEE COc1nc(Oc2cccc(Br)c2Cl)ccc1B1OC(C)(C)C(C)(C)O1 2365383862 WZLOPEGGRFVXKC-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE Cc1cc(CNc2cc(Cl)cnc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677913 VAUFMPBPMBYFDE-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE C=CCN(CC(=C)Br)[C@@]1(C(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2374008296 XQJHKHQGYVCXKN-XLIONFOSSA-N 444.316 4.611 30 10 IJEE C=C[C@@]1(Oc2nc3ccccc3nc2Br)CCCN(C(=O)OC(C)(C)C)C1 2381308135 CBGBBHHNLLNJHO-HXUWFJFHSA-N 434.334 4.727 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cc(OC)ccc2OC)C3=O)c1 2099061 JVSPSYGQQDAGQP-YDZHTSKRSA-N 432.428 4.548 30 10 IJEE CCOC(=O)[C@@H](Oc1ccc2c(c1)O/C(=C/c1cccc(OC)c1)C2=O)c1ccccc1 2152260 FQECQSFSLPSTOO-XXMKCSCWSA-N 430.456 4.995 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040730 DBXHTRZUFPQFGH-UHFFFAOYSA-N 448.544 4.836 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3ccccc3F)CC2)c1=S 16077964 HSGBRSKAJOUXNC-UHFFFAOYSA-N 443.979 4.839 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccc(C(=O)O)cc1 16929191 VCJCGLXDWKFEGH-RDTAYAABSA-N 443.322 4.937 30 10 IJEE C/C(=N\Nc1nc(SCCC(=O)Nc2cccc(Cl)c2)n[nH]1)c1ccc(F)cc1 21082052 QLMSLGQNLYSJLO-WYMPLXKRSA-N 432.912 4.554 30 10 IJEE COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)c1 21233707 POODYWHCJSCDSD-XMSQKQJNSA-N 449.547 4.743 30 10 IJEE CCOc1cc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)ccc1O 21349697 PZJBSGHRXXQJNY-NPMXOYFQSA-N 432.476 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccccc2-c2ccccc2C#N)C1 78670320 RKAGICBGHUATRL-IBGZPJMESA-N 433.552 4.992 30 10 IJEE O=C(C[C@H]1S/C(=N/c2ccccc2)N(CCc2ccccc2)C1=O)Nc1ccccc1 101662107 PRGAWTBLXYPNFS-SIHNDCSESA-N 429.545 4.890 30 10 IJEE Cc1cccc(C(=O)N2CCN(c3oc(/C=C\c4ccc(Cl)cc4)nc3C#N)CC2)c1 102887514 IOSMNFYDAXKXDX-YFHOEESVSA-N 432.911 4.641 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2Cc2cccs2)cc1 169921133 VJPDTHXDQDWNDY-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OC)c2)cc1 169936112 WZZFKYLIDUKFGP-XMMPIXPASA-N 438.483 4.912 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccnc2)cc1 170007026 BEEISKYAEDPMLK-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccncc1 170026377 XYTWRYDZYYFPAF-JOCHJYFZSA-N 441.512 4.793 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170118520 UNBIRJOTIRJTNB-YKSBVNFPSA-N 443.499 4.606 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(C)c1 170147787 JQBOFMFUNJUNQX-VWLOTQADSA-N 446.591 4.794 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1C(C)C 170207936 MGFISHXNEXRYHD-QHCPKHFHSA-N 446.503 4.975 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2)cc1 170265447 OBWAGDMITOHFES-JOCHJYFZSA-N 428.444 4.940 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170291042 WBFFGDQOKYXEEG-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N3CCCC3)cc2)c1 170342672 FPMCHOJNQOHEBP-HSZRJFAPSA-N 428.488 4.971 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H]1c1cccs1 170478180 ZOFSDZOYTSWZOG-OAHLLOKOSA-N 443.506 4.781 30 10 IJEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccccn1 255587285 DZENYHNJSPWMDU-NRFANRHFSA-N 448.523 4.690 30 10 IJEE N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 439605261 WZSHLWLSZGZHIZ-UHFFFAOYSA-N 431.414 4.588 30 10 IJEE Cc1ccc(CN(C[C@H]2CCCO2)C(=O)NCC2CCC(C#N)CC2)c(Br)c1 442727500 FOTKYDYJJSVSTQ-AFMYVXGZSA-N 448.405 4.778 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1nnc(C(C)C)o1)c1ccc2c(c1)OCO2 473681861 ZUKMZJZTYIZNMF-UHFFFAOYSA-N 449.507 4.653 30 10 IJEE Cc1ccccc1-n1nc(C)c(CN(C)C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1C 498293149 RWFIYBFXQMFQQV-VWLOTQADSA-N 430.552 4.731 30 10 IJEE C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CC(C#N)(C#N)C(C#N)C#N)CC[C@H]12 504472933 RTKFWGFLHGHLEO-WGHDKNDMSA-N 444.579 4.582 30 10 IJEE C=CCN(C(=O)CNC(C)(C)C(C)(C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 505631297 HMYPERBNDSYIEE-UHFFFAOYSA-N 442.412 4.775 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 526804958 BDJPRAYDECIXTK-FMCGGJTJSA-N 425.514 4.667 30 10 IJEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(Br)ccc1O 526806783 UGXTYYVNMKMRGR-UKWGHVSLSA-N 437.750 4.883 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2/N=C\c2ccc(Cl)cc2Cl)o1 526831945 ZDTHOEMMSWDAQG-UYOCIXKTSA-N 439.324 4.918 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 549675265 FXGFENOQAQKUTM-FQEVSTJZSA-N 448.615 4.533 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 558992212 UFAZBUNTATXSIB-JOCHJYFZSA-N 445.007 4.653 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)nc2sccc2c1=O 613441934 ZYTVWZFGGDGFAC-MRXNPFEDSA-N 427.595 4.562 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 699596118 PEGDEDPRJBFIQE-YADARESESA-N 445.560 4.655 30 10 IJEE N#Cc1cc(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)nc2ccccc12 706603780 LYICPQDJJYTOCX-UHFFFAOYSA-N 434.543 4.990 30 10 IJEE C=CCC1([C@H](Cc2cccc(F)c2Br)NC)CN(C(=O)OC(C)(C)C)C1 722917539 CUVHIXKFXVNSQO-INIZCTEOSA-N 427.358 4.532 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)c2cc(N)cc(Cl)c2Cl)ccc1Cl 747020472 GKRQFMSEPJVYCF-UHFFFAOYSA-N 440.714 4.641 30 10 IJEE COc1ccc(CNC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1C#N 747243885 GWVQXQUDYJOUSX-UHFFFAOYSA-N 429.480 4.841 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 760777072 MMCYMWAHECNHCK-GOSISDBHSA-N 439.581 4.940 30 10 IJEE Cc1cnn(-c2ccc(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc2)c1 787051927 VXZBXRIVBZQAHT-AUUYWEPGSA-N 441.318 4.687 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809926573 ZTVRPTHDBYJMCH-NDEPHWFRSA-N 438.575 4.739 30 10 IJEE C=CCn1c(SCc2nc(-c3ccn(C)n3)no2)nnc1-c1ccc(Cl)cc1Cl 904870836 YGGDMEZFKCUSMQ-UHFFFAOYSA-N 448.339 4.514 30 10 IJEE C=CCn1c(Sc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])nnc1-c1ccccc1F 931411388 QOBYCJCRLMUGIP-LUAWRHEFSA-N 440.456 4.516 30 10 IJEE O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c2O/C(=C/c2cc(F)c(F)c(F)c2)C3=O)O1 1081108700 FIYBMFOOTSNOBW-ODGHKMFZSA-N 438.357 4.867 30 10 IJEE COc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2C)cc1Cl 1083903934 ZCCGOIRAYBHZQJ-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE C[C@H](NC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)c1ccccc1 1084041557 UDKMPIPGRSBKIK-LBPRGKRZSA-N 449.367 4.527 30 10 IJEE CC(C)(C)Cc1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)n(-c2ccccc2)n1 1125619892 ACLIKKNCJOGRER-UHFFFAOYSA-N 427.430 4.999 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccc(F)c(F)c1 1128140020 FVRSOGITIMCVFN-QHCPKHFHSA-N 441.499 4.986 30 10 IJEE C[C@@]1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCN(Cc2ccccc2)C1 1128605682 FESNSEQFPRUQCJ-NDEPHWFRSA-N 439.559 4.779 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2ccccc2I)C(F)(F)F)cc1 1128968819 QWRKRZDQDQQEIR-QGZVFWFLSA-N 444.190 4.662 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)cc1 1133882811 VSMLBMSRZQEPEV-UHFFFAOYSA-N 426.925 4.913 30 10 IJEE O=C(NCc1ccc(F)cc1C(F)(F)F)c1nn(-c2ccccc2C(F)(F)F)cc1O 1141649915 AXGATPHTSSQZBP-UHFFFAOYSA-N 447.310 4.685 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 1141989477 UJAFLMCCIBIJQP-UHFFFAOYSA-N 439.350 4.598 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C 1169524637 FGBJECZUTJAOPY-LAUBAEHRSA-N 432.486 4.911 30 10 IJEE COc1ccc(CN(CC2CCC2)c2nccc(Oc3cccc(C#N)c3)n2)c(OC)c1 1186230281 BUQOIZGNXFZTJK-UHFFFAOYSA-N 430.508 4.964 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nnc1-c1ccccc1F 1188282865 MXTYUBFZYUEIQQ-SFHVURJKSA-N 446.910 4.960 30 10 IJEE O=C(NCc1cnccc1C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 1214643847 GWVXCPWFVFYNJF-UHFFFAOYSA-N 427.276 4.625 30 10 IJEE C#CCN(C(=O)NCc1ccc(OC(F)F)c(OCC)c1)[C@@H]1CCCc2ccccc21 1221222851 PMLGMAQSALHURJ-HXUWFJFHSA-N 428.479 4.909 30 10 IJEE C=C(C)[C@H](NC(=O)NCCc1ccc(OC)c(OC(F)F)c1)c1ccc(F)c(F)c1 1221651354 FYTRJKOELLCJEL-IBGZPJMESA-N 426.410 4.734 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CCCC1(C)C 1221677049 YFNSUBFOAIAGTM-CVDCTZTESA-N 430.612 4.805 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1252970650 KONSYAHCIJAEBU-FSSWDIPSSA-N 449.636 4.569 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3ccn(CC(F)(F)F)n3)cc2Cl)c1 1264926053 FZYUKGKOGWXHRN-UHFFFAOYSA-N 434.805 4.802 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 1275700444 XHKUZBHYPBFZPK-OAQYLSRUSA-N 426.516 4.520 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286349132 UGVRPXHLGHIMBO-QGZVFWFLSA-N 429.446 4.792 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C(CC)CC)N(C)C 1286515953 UKRIJIKGDQWZIH-ZJSXRUAMSA-N 428.024 4.957 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1286624470 GOAROHCIOAXCOD-UHFFFAOYSA-N 445.970 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1286666712 LFQYSTRLXZYWOX-INIZCTEOSA-N 432.638 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@](C)(CC)C1 1286674160 NTABHWYOBOVOCC-RUZDIDTESA-N 426.605 4.680 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccccn1 1286695446 AILCJAICLICSPA-UHFFFAOYSA-N 442.361 4.714 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286696262 YUBVYYXMLMNUME-SFTDATJTSA-N 440.588 4.712 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1286699754 WBTFLFZLQWRZHY-VXKWHMMOSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCO1 1286745224 ULFOUUQTTJVTQB-YTFSRNRJSA-N 438.616 4.958 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H](C)C#N)n1 1290317229 DRFXNTNYZGJTIH-MAUKXSAKSA-N 438.601 4.638 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)c1 1290332805 AIHBDLXDXIVJOF-OAQYLSRUSA-N 446.580 4.719 30 10 IJEE CCc1cnc(CCn2c(CCCc3ccccc3)nnc2N2CCC(CC#N)CC2)s1 1292630013 AJSVWSMMEHUAHW-UHFFFAOYSA-N 448.640 4.845 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(Cl)c(Br)c(OC)c1N 1296464655 AVCIAEGDGQLMIQ-UHFFFAOYSA-N 439.737 4.843 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CCCC1(C)C 1297186121 GOYOECYPQZBZMD-NRFANRHFSA-N 430.545 4.833 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)c1ccc(C)cc1 1300408818 NZPKCJUUJXCALA-FQEVSTJZSA-N 437.588 4.882 30 10 IJEE C#CCCCn1c(N2CC3(CCC3)C[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300423861 AEUIWVIJCZCNDC-ZCNNSNEGSA-N 441.620 4.621 30 10 IJEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1300490622 HEVVVHSAULPQBV-MDOVXXIYSA-N 437.441 4.689 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CCC1 1300802378 NPKFKEPAMWNTIQ-UQBPGWFLSA-N 441.620 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1300816000 FKXLXDWULWAOLM-RVSNTGDXSA-N 442.991 4.564 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(Cl)c1 1300981412 ZWTBUSGFGRJSQJ-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)CN2CCCCC2)CC1 1301067029 WLDJWWOGSVWYKZ-SFTDATJTSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCCOCC)CC1 1301072998 UZFJYAVZIAOOFB-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1301147904 ISWJAFGHCRNJHZ-WIYYLYMNSA-N 446.542 4.631 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1301152141 UVWAHNMRARWWBX-DHIUTWEWSA-N 433.600 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCc2sccc2[C@@H]1CC 1301155882 YXQXIQOUAYAONO-SFHVURJKSA-N 427.618 4.578 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1301186424 YEMIYIASAUYDDI-RBUKOAKNSA-N 434.588 4.656 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](COC)C1 1301240559 BXYBDQWDIMWJFW-OALUTQOASA-N 444.645 4.587 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1ccnc(OC2CCCC2)c1 1301339236 JWRAUEFHEMUDQR-UHFFFAOYSA-N 442.567 4.669 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CCC1 1301349159 GUESNLBTNBAZOG-UHFFFAOYSA-N 436.629 4.618 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1301615628 QXFJDLYUDKWGOG-QFIPXVFZSA-N 435.597 4.533 30 10 IJEE C=C[C@@H](O)C(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 1303376706 KQYCMRJHAXQDNK-MRXNPFEDSA-N 428.685 4.539 30 10 IJEE C[C@H]1CN(c2nccnc2C#N)CCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1 1307582596 IEYIDEZSCJTBAG-IBGZPJMESA-N 447.533 4.749 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 1308900628 DKGDJCNQRIYBJA-UHFFFAOYSA-N 433.017 4.676 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(Br)cc1 1310089200 DKUOYCTVZVDXTA-OAHLLOKOSA-N 435.705 4.760 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC)c1ccc(C(F)(F)F)cc1 1312344138 VZCLFHBRNWNHTB-QZTJIDSGSA-N 427.467 4.633 30 10 IJEE COc1ccccc1OC[C@H](C)Cn1c(C2CCCC2)nnc1N1CCC(CC#N)CC1 1315646520 CWFLZICUNBHRRY-LJQANCHMSA-N 437.588 4.789 30 10 IJEE CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 1348101211 GXRTUDVNQQBTQU-QGZVFWFLSA-N 436.002 4.997 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2cccc(Cl)c2)c(C(=O)OCC)c1C 1352311113 DDJZJNUFGRVKFN-UHFFFAOYSA-N 435.929 4.801 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(OC3CCCCC3)nc2)CCCN1C(=O)OC(C)(C)C 1352317346 BXZGIMSIXGUNCX-RUZDIDTESA-N 443.588 4.755 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c(Br)cccc21 1353352962 GKYAYKZRXLYGST-GXTWGEPZSA-N 444.354 4.908 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)SC 1359002413 YLMDMRADYFYOQR-UHFFFAOYSA-N 425.627 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1C(F)(F)F 1359070320 KLEPZBQWSWIZFH-DENIHFKCSA-N 448.489 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCN1CCCC[C@@H]1C 1359072377 AIQMQCOVWKHZML-WNCULLNHSA-N 433.644 4.710 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1359161189 TYKMTHKKFURNGU-JXFKEZNVSA-N 434.382 4.540 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359191429 YXYKTICXZQCLLB-JOCHJYFZSA-N 448.615 4.816 30 10 IJEE C=CC[C@@H](Cn1c(N2CCO[C@@H](COC(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1359195945 UWPMPRMFGAOEMK-FCHUYYIVSA-N 426.605 4.566 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(CC)C1)c1ccccc1 1359196099 XGNLNPLATBTDTP-OZXSUGGESA-N 448.615 4.505 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1c(F)cccc1Cl 1359201834 AZQMPEJOWQNCMA-UHFFFAOYSA-N 445.926 4.791 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC)(CC)C1 1359207657 RHIHXCOSPPFYEA-UHFFFAOYSA-N 429.996 4.844 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(Cl)nc2C1 1359209433 NEIYIADFSZUPLR-UHFFFAOYSA-N 447.768 4.613 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1359227834 NMUMFHKCPNTTRI-UHFFFAOYSA-N 430.618 4.620 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H](O)C1 1359258129 HERCRSRAIGOFIZ-TZIWHRDSSA-N 437.975 4.737 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1C 1359345470 HAJADIYJKMDUOY-HNNXBMFYSA-N 437.407 4.528 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc3cncc(Br)c3n2)c1 1435009710 UXXDXFNKGUXFGG-UHFFFAOYSA-N 432.277 4.814 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccccc1 1439948486 APYJVNOCMITCDQ-MNAQKMTRSA-N 446.572 4.932 30 10 IJEE C=C(C)CCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1460234342 NJMODJOFRRZVGV-UHFFFAOYSA-N 434.561 4.778 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Br)c(C#N)n1 1461099935 MNAPLRFOELRJMZ-UHFFFAOYSA-N 426.192 4.552 30 10 IJEE N#Cc1sc(NC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)nc1Cl 1466806045 GQVFAESUOABFPE-LBPRGKRZSA-N 440.754 4.539 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 1468643919 HBGPCNUKRUENBI-IBGZPJMESA-N 432.524 4.555 30 10 IJEE C=CCn1c(SCCOc2cccc(C#N)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472908288 WBYXMHVIIWODLU-OAHLLOKOSA-N 437.590 4.812 30 10 IJEE C#CCN(CCOc1c(Br)cccc1Br)Cc1ccc(F)cc1 1473136436 BOGUJWGHUPLTPZ-UHFFFAOYSA-N 441.138 4.865 30 10 IJEE CCCN(C)C[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 1473203626 HDRJQKOAPVBVOQ-RTBURBONSA-N 444.689 4.763 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 1478046289 FEESCOYABHRIBW-DEOSSOPVSA-N 432.907 4.681 30 10 IJEE C=CCSCCNC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1478418722 SLZRDXVISOPARW-KRWDZBQOSA-N 435.590 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](COCC)C1 1507807581 RVCAWSHPTLVVOF-AZOUXBGGSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccco1 1507810995 MZDGCYZKYJVCFV-YKSBVNFPSA-N 436.556 4.630 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1507888853 IZSWBHMUFJECCC-NRFANRHFSA-N 425.577 4.529 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(F)ccc2SC)CC1 1507904654 NAJBMLZHNNCLSY-UHFFFAOYSA-N 443.617 4.946 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507934718 GIMKSIGBATXCAG-MOPGFXCFSA-N 428.581 4.766 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1 1507935300 PEPQVPZVWVDTKQ-FQEVSTJZSA-N 447.624 4.713 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(SC)CCOCC1 1508018967 CDRLBZSIMXNQHS-UHFFFAOYSA-N 433.021 4.613 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(=O)c2cccs2)CC1 1508050906 MFQVKIWIBNLHGX-UHFFFAOYSA-N 442.972 4.954 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCSC1 1509302259 HQQONUMVSFPYTA-VAMGGRTRSA-N 433.666 4.716 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1510288408 GRLXOZBAVHXDII-HOYKHHGWSA-N 425.552 4.953 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(NC(=O)OCC)cc2Cl)cc(OC)c1OC 1519360168 GTTTXKLXYJVZIW-UHFFFAOYSA-N 432.904 4.584 30 10 IJEE CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(C(F)(F)F)c1 1520214860 DVOVWRZSKNLACX-OAQYLSRUSA-N 431.458 4.649 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCc2ccc(Br)cc2F)cc1OC 1521285244 LYCRXEIWHAHWIA-UITAMQMPSA-N 434.305 4.534 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1521818309 CQAHEDKOMIKPRL-KUHUBIRLSA-N 448.744 4.855 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 1523673028 BANDIRZVDDYAGE-UHFFFAOYSA-N 436.397 4.509 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1cccc(C)c1)c1ccc2c(c1)OCCO2 1524357629 GQKXTFICUNOTKX-UHFFFAOYSA-N 445.515 4.943 30 10 IJEE Cc1cc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)sc1-c1cccc(Cl)c1 1527234408 GWTDWLLMBFOXAF-UHFFFAOYSA-N 442.997 4.976 30 10 IJEE C[C@H]1CCc2sc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)c(C#N)c2[C@@H]1C 1527535012 HDSPOKIKYFGNSS-QWHCGFSZSA-N 436.986 4.761 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1529682770 LVSSZZFHVDJTKN-UHFFFAOYSA-N 433.323 4.918 30 10 IJEE C=C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1ccccc1 1532001374 HLYMOZBGOFCQHQ-HSZRJFAPSA-N 437.517 4.604 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 1532260190 BPRODAHTEKNHBL-UHFFFAOYSA-N 429.354 4.683 30 10 IJEE N#Cc1ccc(SCC(=O)Nc2ccc(Br)c(Br)c2)cc1 1532830845 CAMXYBDACCFHNM-UHFFFAOYSA-N 426.133 4.814 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccc(OCC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1537587495 IPORXKYQLGPPQC-RUZDIDTESA-N 430.589 4.726 30 10 IJEE C#CCC1(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCOCC1 1538244156 QFAXOHKEOYVRJO-UHFFFAOYSA-N 430.913 4.702 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(N(C)C)cc1 1538984151 CAOPNPTUBOESGA-RTBURBONSA-N 447.652 4.898 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccccc1OC 1538984196 CZWFCWARXUZYLH-MSOLQXFVSA-N 434.609 4.841 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCOC1CCCC1 1538992601 UUDSLTTXJIAVTK-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCc1ccc(Cl)s1 1539028501 BJPSAWQMDDPLTF-QGZVFWFLSA-N 428.989 4.889 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1539579129 HUTNGHMEKOJDDG-NUJGCVRESA-N 449.393 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC1CC1 1539616015 MZKYHNVHXCMAEE-JUXOCIIHSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1N(C)CCCC1(C)C 1539675754 CMXMDMZZQXEHSI-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(Br)s1 1539688630 LSXGAXNYRSYURW-UHFFFAOYSA-N 448.346 4.890 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1539733798 PLIAIIUQCWHKSJ-UXHICEINSA-N 430.618 4.795 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539801785 IHHMFHIVRLAXSH-SFTDATJTSA-N 425.964 4.603 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CCCCC2)CC1 1539835281 BELPYKJTTOJTHW-UHFFFAOYSA-N 426.561 4.708 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2nccs2)CC1 1539924680 XDVJLVCWHRZUMT-UHFFFAOYSA-N 442.658 4.706 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCn2nc(C)nc2C1 1539973862 FYKDKDXIEKIETK-UHFFFAOYSA-N 449.603 4.565 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cc(F)ccc12 1540092624 OSHYULJAZJMHRZ-TZIWHRDSSA-N 425.552 4.682 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCCc1c[nH]nc1C)C1CC1 1540094352 GDIBHKMKIZHKAD-UHFFFAOYSA-N 441.377 4.527 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCN1CCCCCC1 1540127433 DMDXYZPBIASHEQ-UHFFFAOYSA-N 446.643 4.951 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1oc(CCC)nc1C 1540140454 POHMFGVPWIONHK-UHFFFAOYSA-N 434.569 4.891 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCO[C@@H]1C(C)C 1540174492 MZINWCHMAHFOTP-RCZVLFRGSA-N 433.600 4.911 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1c(F)cccc1Cl 1540187974 YXJODGKQYWCXDO-KRWDZBQOSA-N 444.938 4.841 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1540860915 SZHGTOFMIAZNSF-UHFFFAOYSA-N 446.045 4.794 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC2(CCCC2)C1 1540865382 DNXCHCHFRNTULU-UHFFFAOYSA-N 435.616 4.705 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1scnc1C 1540919216 KDMLVAVJJODBBD-UHFFFAOYSA-N 438.626 4.602 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1542125672 CUSYFFUSUMGXDW-HSZRJFAPSA-N 442.995 4.597 30 10 IJEE C#CCOc1ccc(CNC(=O)c2c(-c3ccc(Br)cc3)noc2CC)cc1 1543708767 MASPVLKVZLSIEF-UHFFFAOYSA-N 439.309 4.609 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 1562983269 CRZACKISXAILOL-UHFFFAOYSA-N 430.839 4.526 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)c2ccccc2OCC)CC1)c1ccccc1 1565277059 FEPDEJOKPZEZOX-QHCPKHFHSA-N 435.568 4.650 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(O)c(Br)c1 1566360443 KCKNYXLIZGOWOW-UHFFFAOYSA-N 430.220 4.668 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)C(C)(C)C 1584733847 UQHJHCVHSDTMRL-GOSISDBHSA-N 429.303 4.572 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)NCc2cc(F)ccc2OC(F)F)c1 1587132383 CNMREJCNNXWJKU-UHFFFAOYSA-N 426.394 4.808 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1587807440 DCCCPOZSFVSAMC-OALUTQOASA-N 428.552 4.755 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCCC1 1588185803 MZWWYCQJEBCBIK-UHFFFAOYSA-N 438.984 4.581 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1csc(-c2ccco2)n1 1588289052 WCJKXDHDDNDMRI-UHFFFAOYSA-N 441.919 4.962 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC2(CCCCC2)O1 1588458523 GCDQZWNYMMSGOS-PWRODBHTSA-N 428.621 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(Cl)cc1F 1589687761 NQMXVXBTSMJCFM-UHFFFAOYSA-N 447.967 4.513 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](Cc2ccccc2)C1 1589721848 FDVPHBMWHCBFFQ-GOSISDBHSA-N 440.389 4.691 30 10 IJEE C#CCN1CCC[C@H]1C(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1 1593612710 VDFDLOGVXSIJPU-FQEVSTJZSA-N 435.326 4.981 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@H](OC)C1 1593718239 QQJBFFHLUNNKTD-HNAYVOBHSA-N 439.387 4.706 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1594582621 RURWOOLNOYKTSZ-IEBWSBKVSA-N 429.996 4.636 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1sccc1C 1594913668 MJMDDQMDIJDNBZ-UHFFFAOYSA-N 426.586 4.976 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1 1595134002 QBRGQRNNVIERGN-OAQYLSRUSA-N 437.588 4.881 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC(c3cnn(C)c3)CC2)cc1 1595608287 QFFSKBSRXPAYQR-LJQANCHMSA-N 434.588 4.522 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CCC(C)CC2)C1 1595705891 GFQDSXUYVCQSLT-UXHICEINSA-N 444.023 4.500 30 10 IJEE N#Cc1cccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)c1Br 1598020727 HLLCJVJKZDMLLB-UHFFFAOYSA-N 447.292 4.800 30 10 IJEE CN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)S(=O)(=O)c1cncc(C#N)c1 1622584174 BDDSHWBUUUTSFE-UHFFFAOYSA-N 448.331 4.873 30 10 IJEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 1623142566 BBBOFDWPLJFCHV-SJLPKXTDSA-N 436.512 4.577 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2cc(C)ccc2OC)CC1 1624431997 MVACHYYGFBIDCJ-UHFFFAOYSA-N 448.485 4.545 30 10 IJEE C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1=O 1625091265 CHPZVNOEOBXRIC-LIRRHRJNSA-N 442.560 4.930 30 10 IJEE C#C[C@H](C)NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1625828769 XFXHDNVJZJNWEH-SIBVEZHUSA-N 438.527 4.794 30 10 IJEE Cc1cc2c(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)n[nH]c2cc1C#N 1628455321 DDFSTIUHWZSBMD-LJQANCHMSA-N 433.512 4.728 30 10 IJEE CC1CCN([C@H](CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c2ccccc2)CC1 1629951518 GVPDHUDVACKRGJ-AREMUKBSSA-N 430.596 4.920 30 10 IJEE C=CC[C@H](NC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)c1ccncc1 1631878492 QNLXHJVNXWUNPR-NRFANRHFSA-N 430.593 4.958 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](Cc3ccccc3)c3ccccc3)n[nH]2)c1C 1634700703 STERVIGMWCBSGK-QHCPKHFHSA-N 439.563 4.832 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1 1634890626 DWGFUZXJACYMJG-KRWDZBQOSA-N 448.441 4.510 30 10 IJEE CS[C@@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C[C@H]1N1CCCC1 1638041278 CWAGPHHUULLCMX-IFMALSPDSA-N 441.984 4.656 30 10 IJEE CCOC(=O)c1ccn(-c2cccc(CNc3c(C#N)cnc4c(Cl)cccc34)c2)n1 1642653809 FMOAPXGIANJKGZ-UHFFFAOYSA-N 431.883 4.734 30 10 IJEE C=CCN(CC(=O)Nc1cc(-c2cc(C)cc(C)c2)nn1-c1ccccc1)[C@H](C)COC 1643803256 PMARQSWGXVDHJB-OAQYLSRUSA-N 432.568 4.618 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1650972042 GGDYTCVQCXVBML-WQJNHMDYSA-N 437.521 4.579 30 10 IJEE Cc1nc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)ccc1-c1ccccc1 1662341408 BDTQGDXKWYGWSA-UHFFFAOYSA-N 431.927 4.936 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](C)Oc3ccccc3Br)cc2n1 1664849158 DNFRMAPSQNALPY-CQSZACIVSA-N 429.318 4.574 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1 1668632788 BWHMKYLSFPFZKD-OAQYLSRUSA-N 439.512 4.847 30 10 IJEE Cn1cc(CNC(=O)NCC(C)(C)CCCc2ccccc2)c(-c2ccc(C#N)cc2)n1 1669132203 CBLWUONZQQRGDA-UHFFFAOYSA-N 429.568 4.807 30 10 IJEE C#CCN(C(=O)NCCc1c(C)cccc1C)[C@H]1CCOc2ccc(Br)cc21 1670265407 TYVMDDHVOROQPS-NRFANRHFSA-N 441.369 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 1672282463 QKTQQRGUVOOXNO-MZYLBHOOSA-N 428.960 4.878 30 10 IJEE COC(=O)[C@@H](C)Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 1676136598 BXUBTTZIKUFSHN-INIZCTEOSA-N 433.533 4.960 30 10 IJEE C#C[C@@H]1CCCN(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 1677902369 GTVVTLSRRACEFZ-LJQANCHMSA-N 432.955 4.790 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccc(C(F)(F)F)cc1 1679305166 LJFQOBPQKSRWEP-DBKYJMENSA-N 440.506 4.985 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1)c1ccccc1 1684989302 SILKEFBCUCWUTM-RTBURBONSA-N 427.570 4.916 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1ccc(Cl)s1 1689828647 QJBCNMJQZBXYFN-LSDHHAIUSA-N 432.952 4.973 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(CC1CCC1)CC1CC1 1690233239 APUVNTOXCZTMLB-UHFFFAOYSA-N 449.368 4.921 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 1690247379 ABINPEJHQQJHTI-ZJSXRUAMSA-N 438.616 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)OCC 1690265128 KSHYBCJIDPBFGU-UHFFFAOYSA-N 449.640 4.610 30 10 IJEE C=C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](C(CC)CC)N(C)C)CC1 1690378844 DUEJKJQRATUEQP-XMMPIXPASA-N 434.632 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1690419517 UXRHERYNMGLGAH-IAGOWNOFSA-N 429.996 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](COC)C1 1690422522 RDJQVJWNSPCTIO-MRXNPFEDSA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC[C@H](C)C1 1690516468 KIVRUPMYHVFZES-SFHVURJKSA-N 436.629 4.731 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CCCO1 1690558618 WMUHABSGEIEKQE-XMMPIXPASA-N 448.958 4.627 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1690604515 WDSHPMOJMJSNGF-LGVFNWMJSA-N 438.616 4.958 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[C@@H]21 1690737096 ZOIAOLNPJVTJTN-KSSFIOAISA-N 449.418 4.624 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1)OC 1694277343 FKEWWNUUAVQWOS-PKTZIBPZSA-N 439.604 4.519 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCN1CCCC 1705490801 QSFVVUZKZYGSOJ-UNMCSNQZSA-N 446.599 4.713 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(F)(F)F)CC1 1705512031 NTDVJLOOBZHHBO-UHFFFAOYSA-N 425.886 4.966 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCS1 1705591123 GMLFJOBWWMWXES-OAHLLOKOSA-N 449.443 4.518 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cc(C)cs1 1705738098 KSRTZQWDOCBBAJ-UHFFFAOYSA-N 435.597 4.949 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1705815111 LCROLGVCGQTZCO-VWLOTQADSA-N 440.588 4.716 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1csc(C)c1)C1CC1 1705851747 QKQNKAWPNPBTQU-UHFFFAOYSA-N 432.391 4.619 30 10 IJEE C[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1708044737 GMIJKGJVTJJGNU-ICSRJNTNSA-N 437.588 4.559 30 10 IJEE CC1CCN(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H](C)CC#N)CC1 1708141341 BWQFRVLSHCEYDA-OALUTQOASA-N 445.011 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1cccnc1 1722284773 MNCVOFISYGEKKM-KRWDZBQOSA-N 431.540 4.908 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccccc1C 1722325243 GRHGIFBPGUWAJE-UHFFFAOYSA-N 440.389 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)c1ccccn1 1722401655 GPWWKMPJUSZHJS-UHFFFAOYSA-N 443.620 4.715 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC=CCO1 1722517011 JXFXQKDLNPRAIY-KRWDZBQOSA-N 437.371 4.911 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2)CC1 1722528491 JJMCIFPQSJRVSQ-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](OCC)C1 1722543992 CKLJWIQLVQFTBQ-IBGZPJMESA-N 442.947 4.875 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1722581065 GWGBFGYEXFEQMK-IBGZPJMESA-N 431.625 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(Cl)ccc2C1 1722588946 HZDYVUMWDLFZMT-UHFFFAOYSA-N 439.007 4.958 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OC(F)(F)F 1722644758 NEZZINJKVPCJPS-SJLPKXTDSA-N 438.494 4.766 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC12CCC(CC1)C2 1740536633 KEFDLIJSZPOUIF-VEBLATHCSA-N 431.353 4.885 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](OCC(C)C)C1 1740780794 OUMRCXHHTGJYPW-FQEVSTJZSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccccc2)CC1 1740793912 NDWVCOHPRXEAQS-UHFFFAOYSA-N 437.613 4.611 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1C 1740875384 BMNRKJYWMBTFLO-FQEVSTJZSA-N 443.592 4.897 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1ccco1 1740918468 LMFIVUAWDYBDGP-XMMPIXPASA-N 449.942 4.687 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(Br)cs1 1740949948 ZWVCDMXPBCDHNG-HZPDHXFCSA-N 439.423 4.843 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@](C)(CC)C1 1741001277 PZBWIHPAXSQXIL-HSZRJFAPSA-N 439.585 4.525 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1748945643 WSZHPWUUHWUKEM-QFIPXVFZSA-N 439.623 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](CCOC)C1 1749118117 CSHNHTJLKODUOX-AZOUXBGGSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC=C(C)CC1 1749140979 WDUGMCRGWPYCBU-XXBNENTESA-N 440.613 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1749156069 QRWROGYOHDTROV-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCC[C@H]2C)CC1 1749330963 SSBIPIQWUYQAJL-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)C)CC1 1749415298 MFYQAKZXCLGFLP-UHFFFAOYSA-N 432.616 4.849 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=C)Cl 1749552800 BDSQQSOVBUKPOB-IBGZPJMESA-N 428.945 4.797 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1760103956 OTQSGKXALFYDTN-IEBWSBKVSA-N 449.555 4.549 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN1C1CCCCC1 1760120539 NHLXODIPXGYEDC-DHLKQENFSA-N 433.644 4.708 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(OC)CCCCC1 1760228497 IARJHHQCCLRZGL-UHFFFAOYSA-N 445.405 4.825 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1760231725 DVJRVTOFBBPVLQ-QUCCMNQESA-N 442.489 4.884 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1760275543 ZSZKJRBAEMAEQG-BZSNNMDCSA-N 433.021 4.920 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@@H]1C 1760298261 ZQXGATPLBCHRGX-YZZKKUAISA-N 445.032 4.889 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](OC)C(C)(C)C1 1760316823 XJXVBUVXWZDWPV-LUKWVAJMSA-N 438.616 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760317457 GHTCQCYJZCKAMB-NRSPTQNISA-N 445.007 4.831 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1760385733 WLOFEMIVURMIAA-VWLOTQADSA-N 439.673 4.836 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1760393759 YGNMXBHZQCYNSK-SFTDATJTSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(C)ccc1F 1760407406 CHOOOCXKFSOUDC-UHFFFAOYSA-N 436.535 4.612 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)C[C@H]1CC)c1ccccc1 1760416359 BGXUCVCQZSOMCF-CEMLEFRQSA-N 444.583 4.910 30 10 IJEE C=CCCCCn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@]1(OC(C)C)CCOC1 1760430637 OYJKTSBSEIQKIP-FQEVSTJZSA-N 429.392 4.574 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](OCCOC)C1 1760434316 WPJNCYPCVONLIE-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1760441988 BMTMNSPFHTTWFP-HSZRJFAPSA-N 437.632 4.752 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)N1CCC[C@H](C)C1 1760467128 SYDBYRYGNHSRRX-FQEVSTJZSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCC[C@H]1C 1760487235 MOIUMEYUEVCNAH-HOYKHHGWSA-N 440.588 4.813 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1760562975 BHZFDICFNLLPBV-IBGZPJMESA-N 439.654 4.809 30 10 IJEE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4ccccc4)n3)c2)C1 1772724359 VZLGRQSLXBAXGQ-QGZVFWFLSA-N 440.594 4.677 30 10 IJEE CC(C)(C(=O)ON1C(=O)c2ccccc2C1=O)c1csc(-c2c(F)cccc2Cl)n1 1772791089 YMUADTSOEZCDNF-UHFFFAOYSA-N 444.871 4.635 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1C(=O)O 1857891028 JKNYEBDLNYOZGQ-UHFFFAOYSA-N 436.593 4.715 30 10 IJEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1 1860160177 YUPSXJSEIKFMPX-QGZVFWFLSA-N 429.476 4.615 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1OC 1860728922 XPJJRFJJQDAVJL-VZUCSPMQSA-N 436.552 4.941 30 10 IJEE CCCCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 1861344857 LMAMCYKYCIFXRT-HSZRJFAPSA-N 435.565 4.759 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478357 FLJBCFYKKIOULL-QHCPKHFHSA-N 441.483 4.780 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)c1 1862506990 YGYMIZGTDYCIQM-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccccc2)c1 1862550943 LUBLGYCPDRZJIE-DEOSSOPVSA-N 437.499 4.571 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862557002 CJRSCPZDBZHZEP-JOCHJYFZSA-N 449.507 4.868 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Br 1862600256 QHNUPOYVIJCVSN-IBGZPJMESA-N 444.325 4.779 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H](C)CC)c1 1862631165 LFGRFURKSGLJSH-QRQCRPRQSA-N 437.492 4.581 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)cc1 1862687230 IKHOPXGUAYKWJB-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(OC)cc2)cc1 1862689268 MEZYSPXLAGOZCP-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862709840 GKVVTJWSBHJBOF-CWTRNNRKSA-N 444.871 4.634 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(N(C)C)c3)C2=O)c1 1863029570 FPCMDHKQGRWAKL-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE C=CCN1C(=O)c2cccc(O[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C1=O 1865828188 XTVCGCZOJWGQRT-KRWDZBQOSA-N 442.471 4.667 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)nc(CCC)n1 1869224166 DPQRFJFHEKYPRV-UHFFFAOYSA-N 435.572 4.975 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(c3ncncn3)CC2)nc(-c2ccc(Cl)cc2)n1 1869262442 ZBRXJOQMSZMSTG-UHFFFAOYSA-N 447.974 4.544 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)c1ccccc1Cl 1870140323 LCGHHUPDGOIVIQ-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CSCCO 1870227893 DQYBAOPVSCCWBU-UHFFFAOYSA-N 441.634 4.547 30 10 IJEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2cccc(OC)c2)cc1=O 1870833631 PJBLPTITTXVWAM-HSZRJFAPSA-N 428.573 4.997 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1cccc(Cl)c1C 1871015301 ALSPXVFYAXWFQL-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE Cc1cc(OC(=O)CNC(=O)c2ccccc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871366092 RKOHRUDJWNHJIR-MTJSOVHGSA-N 447.874 4.600 30 10 IJEE CCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 1871385421 ROYBCVVLUUSQDZ-ZDLGFXPLSA-N 426.465 4.733 30 10 IJEE Cc1cc(O)c(CN2CCC[C@H](CO)C2)c2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871398552 JRQVCMXHJFFSHN-CIYLQVQQSA-N 448.346 4.828 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)cc1 1871424567 NOHACQGVNMEDFQ-SDPDQUOZSA-N 443.499 4.958 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871433309 LRSVOESMSGSCJZ-CTFRJJSNSA-N 430.884 4.612 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871896080 HNFIRXPMFJQSHW-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(OCC)cc1 1872093331 RLVDLIHPHRSXRJ-QHCPKHFHSA-N 444.597 4.632 30 10 IJEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(C(=O)OC)cc3)n2)cc1 1872768169 LKFVKDFVUWLNNC-QARGNGGGSA-N 432.501 4.885 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCCCC)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330163 CYLZHSUSVQZCJF-UHFFFAOYSA-N 446.547 4.947 30 10 IJEE O=C(CSc1nnc(Cc2cccs2)n1/N=C/c1cccs1)Nc1ccccc1 1874410807 LYYDXCSBWPZATF-FYJGNVAPSA-N 439.591 4.605 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2-c2ccccc2)c1 1874430619 QWHZTQRGELOIKC-ZVHZXABRSA-N 438.553 4.517 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(C(=O)O)cc1 1874439800 TWUFYHLXUJNWMV-ZMOGYAJESA-N 426.517 4.879 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccn2)c1 1874451765 OFHVSJYYEIVSTF-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCCC)cc1OC 1874472979 HGODFQRLUYJIQM-HAVVHWLPSA-N 434.606 4.819 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)c(OC)c1 1874489369 OEVHCKFBYUUOBW-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC 1874608830 JLEPRTYFWGKBOR-ONNFQVAWSA-N 433.298 4.686 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 1874609211 FAQOFJRYFLWJIN-UUILKARUSA-N 434.404 4.987 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1sccc1C 1874706336 BNKIYNUZLZNGBY-ZZXKWVIFSA-N 436.485 4.952 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CSc3cccc4cccnc34)cc21 1890768742 OZRXYCYHSAAYNK-UHFFFAOYSA-N 447.560 4.903 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(c3cc(Br)c(C#N)cc3F)C[C@@H]2C1 1965552680 NRFCJJHBEMTJTB-DZGCQCFKSA-N 438.341 4.543 30 10 IJEE C[C@@]1(Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OCc2ccccc2)C1 1999271330 FAKLLKGOFMAMFT-HXUWFJFHSA-N 432.293 4.673 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2020571323 ARZWFULUVFRMSH-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079022790 PRJZZOWVROZWHJ-BTZNOAQDSA-N 437.325 4.901 30 10 IJEE CCNC(=O)c1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079196868 MBTKOJMVYXCLJB-UHFFFAOYSA-N 448.136 4.561 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCCC 2110494705 JWANQDULZBCXDT-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2124519828 NQKMXVZWFZOSBF-MNNVXMFVSA-N 444.381 4.627 30 10 IJEE C[C@H](c1cc(Br)cs1)N(C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2130036834 ICNVSPFOPUCPBV-OCCSQVGLSA-N 444.395 4.617 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c2nsnc12 2137379122 YPFACNIJIKRNMR-UONOGXRCSA-N 441.395 4.574 30 10 IJEE Cc1cc(Br)c(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)cc1Cl 2163720526 HLKAJFPJWMKAQL-CHWSQXEVSA-N 440.574 4.575 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(Nc2cc(Br)c(C#N)cc2F)C1 2182455112 QCBJJXWPIXOXOT-OALUTQOASA-N 442.304 4.753 30 10 IJEE C=CCC1([C@@H](NCC)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2207380503 ZMJXIWIKODXTGC-SFHVURJKSA-N 439.394 4.922 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(F)cc1Br 2225599787 IPWWGAPEMLGCAG-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1sc(NC(=O)OC(C)(C)C)nc1C 2227474144 QNTXZYHIERBEJZ-OAHLLOKOSA-N 436.375 4.873 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]2(O)C#Cc1ccccc1Br 2235740443 OQVJGWJMYZXMMZ-QFIPXVFZSA-N 428.326 4.982 30 10 IJEE CC1(C)OB(c2ccc(O)c(C(=O)N(Cc3ccccc3)CC3CCCC3)c2)OC1(C)C 2267813097 LJSXKBHZHXFOFT-UHFFFAOYSA-N 435.373 4.524 30 10 IJEE C=CC[C@]1(COc2ncnc(C)c2Br)CCCCN1C(=O)OC(C)(C)C 2272234023 KDDURLFGIBPNLO-LJQANCHMSA-N 426.355 4.662 30 10 IJEE CC(C)[C@@H]1[C@H](C(=O)Nc2ccc(Br)cc2C#N)CCN1C(=O)OC(C)(C)C 2279332264 XEQZMQMUWQVNLF-NVXWUHKLSA-N 436.350 4.541 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)C1CCC1 2288235148 XYOHOIBJAXABNB-GOSISDBHSA-N 435.406 4.958 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2F)no1 2296103250 YBYYMAIRTFNKED-NRFANRHFSA-N 436.439 4.536 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296216108 HJXMXUKWXAWFTH-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2296305394 SXUYHEJXZKTUHV-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O 2297532941 LTNQHUHSVIYYNZ-UHFFFAOYSA-N 441.878 4.833 30 10 IJEE CCCN[C@H](C#CC1(SC)CCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299652409 VPCQEYVMWHFNHV-YADHBBJMSA-N 446.657 4.754 30 10 IJEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2300005943 CKVNAZALAJELSQ-LEWJYISDSA-N 436.557 4.996 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CCC 2305315809 GTFBANLQDATLTD-PXDATVDWSA-N 430.589 4.945 30 10 IJEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1 2321940613 ZEYJVDFPRBSPPD-UHFFFAOYSA-N 431.488 4.916 30 10 IJEE CN(C)CCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)cc1Cl)C3=O 2322024230 KJLCFTWUAPPIBH-UHFFFAOYSA-N 433.335 4.713 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(S)n1N=Cc1ccc(Br)cc1 2322214741 GLZHDEKUZIGWIH-UHFFFAOYSA-N 445.386 4.840 30 10 IJEE Cn1ncc(NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)c(Cl)c1=O 2322630891 KSGQFGPZNYUQDT-UHFFFAOYSA-N 437.714 4.766 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(N)=O 2323520588 HLGRVMYZJNRVCG-UHFFFAOYSA-N 428.699 4.806 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC)c(O)c1Cl 2326406642 SOOOJFQVSBUAAU-UHFFFAOYSA-N 430.961 4.999 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccncc1 2328689879 XERNTFXBMSAUQC-UHFFFAOYSA-N 429.549 4.641 30 10 IJEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc(OC)c1O 2331434265 MOFFDVVYKLMJCU-UHFFFAOYSA-N 444.532 4.513 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cc(Cl)ccc1O 2331673567 VTXPJKLCGXMBLP-UHFFFAOYSA-N 447.923 4.513 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(OC)cc2)cc1 2331684195 YXHMRWLQTSNZSV-UHFFFAOYSA-N 437.569 4.586 30 10 IJEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2332149029 XUICFTUAZVIYLZ-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2339547540 RDCXINPGSXLPSA-UUOWRZLLSA-N 441.381 4.538 30 10 IJEE CC(C)(C)OC(=O)N1CC(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)(C2CC2)C1 2339606417 QFNPBZHLFYSOQQ-OUKQBFOZSA-N 442.365 4.505 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360194035 FCGUOKXNASUNDH-ZGXWSNOMSA-N 433.390 4.567 30 10 IJEE CCCC#CC[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703356 BRWHEOZDRDVMDU-LLVKDONJSA-N 426.703 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2Oc1cc(Br)cnc1C#N 2381061647 GALXYCDSOBKHJR-LROULRCXSA-N 436.350 4.567 30 10 IJEE C=CCOc1c(Cl)cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OC 2844739 XBCBKLVTQGKFLU-LZYBPNLTSA-N 449.246 4.820 30 10 IJEE CCOc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)cc1 20905245 GDOXWFOTFVLMSO-ZVHZXABRSA-N 446.536 4.533 30 10 IJEE CC[C@@H](Oc1ccc(F)cc1)C(=O)c1c(C)c(C#N)c(=O)n([C@@H](C)c2ccccc2)c1O 38623261 GJGMGAYJNFVQJN-HRAATJIYSA-N 434.467 4.523 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2cccc(Br)c2)n[nH]1 59891173 DMRVPTGIIPWKOI-CIAFOILYSA-N 439.383 4.666 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)NCC)c2)cc1 100314756 NYNLQSJNEYGQCV-UHFFFAOYSA-N 441.597 4.912 30 10 IJEE COc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)cc1OCc1ccc(Cl)cc1 169936673 ZTZPZVHUMAKAJE-OAQYLSRUSA-N 430.957 4.652 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccc(OC(C)C)c1 169980021 GWLYGTLNLNMKGM-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccccn2)cc1 169993256 BXJULPQQOVGDGU-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)c1 170024435 ICGGJJBSROUHLS-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170038047 LWWLTNDYAKLQBW-AUSIDOKSSA-N 447.487 4.589 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 170057084 PHJKVTMJJSTMQG-IBGZPJMESA-N 434.319 4.997 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2c[nH]c3ccccc23)c1 170076042 CHUKGOUUYUDJGV-UZUQRXQVSA-N 430.504 4.542 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170103062 AXJRPHIEQONIBD-IBGZPJMESA-N 440.496 4.621 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)c(C)c1 170154144 QBDGIDZOWWZZCD-LJQANCHMSA-N 425.531 4.905 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)cc1 170166280 PITHSZFTCMHLPN-OAQYLSRUSA-N 443.565 4.930 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccn2)c1 170171580 PWZJPOFKMSOGJG-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccncc1 170205730 AYPCUDQASFJVGN-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)c1 170205793 RDYFPHRLWKHJOP-HSZRJFAPSA-N 439.471 4.525 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2C)c1 170270428 VVXHOKVBMSATNH-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccco1)c1ccc2c(c1)CCCO2 170290599 FVFFIEULXAHGPN-NRFANRHFSA-N 437.398 4.666 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccco2)c1 170296576 MUVDRFIFWAFGTC-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE CCOC(=O)C1=C(Nc2cc(C)cc(C)c2)S/C(=C\c2ccc(O)c(OC)c2)C1=O 206889825 VFTMXAXYELCXBF-UNOMPAQXSA-N 425.506 4.561 30 10 IJEE COc1ccc(C=NO[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1OCc1ccccc1 254305234 AVDSMIUSVICNAC-FQEVSTJZSA-N 444.531 4.598 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 505058405 URZPGHRMIHEABU-UHFFFAOYSA-N 429.520 4.656 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)o2)cc1 505500396 JAIBEQAZKVDMCP-QGZVFWFLSA-N 430.291 4.971 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 508947877 YLVUAYJFZOPAED-NHTMILBNSA-N 430.552 4.712 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 520919388 IEFROLPIOWMYKH-UHFFFAOYSA-N 428.448 4.520 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 571527423 KCXOUOMOGIZETD-SFHVURJKSA-N 438.601 4.557 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 574467343 UBWLPAOKXXMKIO-UHFFFAOYSA-N 438.959 4.985 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)[C@H]1C[C@H](NC(=O)Nc2cccc(Cl)c2)CCN1 585826291 QNSLHIMYKNIPFC-VRDGUJSXSA-N 441.959 4.653 30 10 IJEE C=C(COC(C)C)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693640497 SKUHILGFEPKGMK-OZXSUGGESA-N 445.648 4.505 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 701304922 QIPQKAIMSIUEML-HUUCEWRRSA-N 433.337 4.717 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 721197448 YDKGTKMWGORXGU-MAUKXSAKSA-N 427.358 4.854 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(C)c1C 733198448 XLVIHTDLQPPBEK-FQEVSTJZSA-N 441.503 4.565 30 10 IJEE C#CCN(C(=O)c1cccc(F)c1OCC)[C@@H]1CCOc2ccc(Br)cc21 744364716 AZAFBCNNOMXJCK-GOSISDBHSA-N 432.289 4.586 30 10 IJEE COc1ccc(CNC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1C#N 746858679 KIUOSNITPZYZQH-AWEZNQCLSA-N 441.940 4.813 30 10 IJEE CCOCCOc1ccc(Br)cc1/C=C\C(=O)c1ccc2nc(O)oc2c1 794715563 NSZXMEKUAJORQT-DAXSKMNVSA-N 432.270 4.607 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 802566892 CXVWBJLHSKGLFX-BJKOFHAPSA-N 448.542 4.620 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802593650 NIGUHDPTHZRIBG-UHFFFAOYSA-N 446.595 4.581 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1)Nc1ccccc1Cl 1084023734 XQTRJUZQMSYCFE-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE NC[C@@H]1CCC[C@H](C/N=C(/Nc2ccc3c(c2)OCO3)N2CCC[C@@H]3CCCC[C@@H]32)C1 1088703260 QSEFPAIIVJIUBT-AQCRLBJHSA-N 426.605 4.603 30 10 IJEE C=CC[C@]1(C(=O)NCc2cccc(NC(=O)[C@@H](C)CC)c2)CCCN1C(=O)OC(C)(C)C 1125162116 ZYRBEXCVJLITDZ-AVRWGWEMSA-N 443.588 4.633 30 10 IJEE C#CCCOc1ccc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1 1127516878 ROMQMVLCHIANRZ-UHFFFAOYSA-N 431.363 4.790 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccnc1SCc1cccc(Br)c1 1128537780 CXCYEYDTNWEMRV-LPHOPBHVSA-N 447.398 4.847 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 1136321670 JFSUGRHWJGQLOJ-KRWDZBQOSA-N 436.915 4.603 30 10 IJEE C#C[C@@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Br)cc1 1141461602 ZKSWDSQNFYCPCL-CQSZACIVSA-N 431.639 4.550 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1167251964 PCEBMWIWYAEEID-SANMLTNESA-N 445.588 4.575 30 10 IJEE C=CCn1c(Sc2nc(C(F)(F)F)c(Br)s2)nnc1-c1cccnc1 1184688242 GZQLOKPCOXWLTH-UHFFFAOYSA-N 448.293 4.915 30 10 IJEE CC(C)N(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(Cl)cc1C#N 1186046194 GOHDSZLAYQCIKE-UHFFFAOYSA-N 445.741 4.713 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ncccc1Br)c1ccc(C(F)(F)F)cc1 1188471173 WFTXDRIJOMHUIX-OAHLLOKOSA-N 449.292 4.849 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 1201314526 LVDUQKUFZUNIJB-UHFFFAOYSA-N 432.499 4.640 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(-c3nncn3CC)c2)cc1OC 1201347891 MWMDDRWGJZMBPD-UHFFFAOYSA-N 443.345 4.913 30 10 IJEE CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1(CC)CC 1202433797 AZXVBRBRKCNHMS-RBUKOAKNSA-N 429.952 4.845 30 10 IJEE C#CCCS(=O)(=O)N(C)[C@@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)C1=O 1212054921 TWXWPJLBVBBJCF-NBRGKURFSA-N 448.009 4.718 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 1214605673 NQUJPVHZVUJYKH-UHFFFAOYSA-N 442.446 4.668 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)nc1 1214964998 BRZRYYXJDNVTSQ-KRWDZBQOSA-N 449.461 4.672 30 10 IJEE C#CCCCCC(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1264110978 STIVUXNSKPADIG-FDDCHVKYSA-N 447.984 4.827 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(OC)c(OC3CCCC3)c2)cc(OC)c1OC 1264831255 QDOKJOQRVSSAIF-UHFFFAOYSA-N 425.525 4.692 30 10 IJEE COc1ccc2c(c1)nc(CNC(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)n2C 1269809296 CFMRSZAJANMZTO-UHFFFAOYSA-N 446.894 4.829 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1286274133 IZHSKDWHNSTOIG-TVZXLZGTSA-N 433.644 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C1CC1)N(C)C 1286281591 KDEBQVJLGIWURW-OXQOHEQNSA-N 437.588 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc2c(s1)CCCC2 1286297524 XCAUXSMHUWUQJS-INIZCTEOSA-N 440.016 4.558 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H](C)c1nccs1 1286315266 LGKPUQQIHPOOQK-GOSISDBHSA-N 445.596 4.835 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCc1nc(C(C)(C)C)cs1 1286449631 AZVJWEORKVEGJJ-UHFFFAOYSA-N 446.624 4.737 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](CCC)C1 1286550922 KCSKNVYDBBMUIV-NRSPTQNISA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCOc1ncccc1Cl 1286581701 SZNOWPMRNDQGBQ-UHFFFAOYSA-N 429.927 4.538 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1286599556 APYPCXILHOFQIE-VAMGGRTRSA-N 449.640 4.514 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CC=CCC2)CC1 1286650077 WUPWRFZFRWRBDZ-UHFFFAOYSA-N 435.616 4.573 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nnc(CC)s1)C1CC1 1286732745 YSCDQLUGQPTZRB-CQSZACIVSA-N 444.992 4.689 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1)C(C)C 1286751325 OYXOPJIEFJZFAS-WRALFONMSA-N 446.643 4.998 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)N1CCCCC1 1287189310 FQQGSJGMFCHXOY-UHFFFAOYSA-N 432.616 4.831 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc21 1289391075 UKTVDGOIXQCZAU-CALCHBBNSA-N 433.512 4.865 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2cccc(O)c2)on1 1292642180 SOPZIFHOUXGRDH-UHFFFAOYSA-N 431.261 4.777 30 10 IJEE COC1(Cn2c(-c3ccccc3F)nnc2N(CCC#N)CC2CC2)CCC(C)CC1 1299802703 DMWXXGSAZQLOAQ-UHFFFAOYSA-N 425.552 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COCc1ccccc1 1300330562 ZIWPXFXRDCAVNX-OHUMZHCVSA-N 438.616 4.508 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300393738 KDVFUFDEDYMBHC-IBGZPJMESA-N 445.405 4.905 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1csc([C@H](C)OC)n1 1300476088 FHJGRHPXLPDJBS-AWEZNQCLSA-N 448.017 4.505 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(Cl)c1 1300643911 PDIOGMIUOTWQSP-IBGZPJMESA-N 443.979 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H]1CCO[C@@H](C)C1 1300788581 FGXBIHVLAKOXTI-LLJLJFOGSA-N 444.526 4.744 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(C)s1 1300837079 GWMFCBNALAZCIG-UHFFFAOYSA-N 433.375 4.869 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1300907381 HPRQLHQNOABSHY-XMMPIXPASA-N 430.600 4.888 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(N(C)C)CCCCC1 1300908939 HUQBLZJXTWQRBJ-UHFFFAOYSA-N 447.631 4.798 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1300974951 QOJQMMMPDOORLT-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301139990 YIBFLTLSKDXMKV-HZPDHXFCSA-N 448.409 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301140919 GSVYIJYWQKXCSQ-ICSRJNTNSA-N 442.604 4.958 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@H](C)C1)C1CC1 1301316921 PNRSGVMGLIJLET-DLBZAZTESA-N 426.561 4.562 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CCc1ccc(Cl)s1 1301342606 ZCWUYIPYVLZTAR-UHFFFAOYSA-N 444.004 4.567 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C 1304958630 BGBPKBSRZFQYFY-LVCYWYKZSA-N 434.613 4.806 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(c2ccc(F)cc2)CCOCC1 1305438505 HUWNIPWPIYYSOH-IBGZPJMESA-N 439.579 4.809 30 10 IJEE COCc1cc(Cl)cc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c1 1309602500 ACPKWBOEUAHIKK-CYBMUJFWSA-N 446.878 4.608 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](CC)C2)cc1 1310129710 CADCWSAVIHUHAA-WMZHIEFXSA-N 441.597 4.541 30 10 IJEE C=C(Br)CNC(=O)N(CCN(CC)CC)Cc1ccc(Cl)c(Cl)c1 1311756742 IFORUPOFLHCQEG-UHFFFAOYSA-N 437.209 4.755 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1353487208 HABZTZOCHCSUSP-HXUWFJFHSA-N 445.469 4.731 30 10 IJEE C=CC[C@@]1(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1358407763 ZVTHXWXEPOQCSJ-QHCPKHFHSA-N 436.955 4.973 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1cccnc1)C(C)C 1358989848 RQASUUPDDFPAJR-XMMPIXPASA-N 448.574 4.791 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1OCCC1(C)C 1359063969 HYDIAMSCGCLAFQ-WPSZSDGUSA-N 442.991 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C(C)C)N(CC=C)CC=C 1359066633 IHPDZCBJTMMQRV-RPLLCQBOSA-N 442.611 4.507 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1359076942 PUEYOKZXASZYQY-UHFFFAOYSA-N 425.415 4.874 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359101299 MTTHOLDIGBXDPU-LHWDRQQYSA-N 445.007 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1ccnc(N2CCCCC2)c1 1359114329 HUZUDEPNNGHBHB-UHFFFAOYSA-N 448.590 4.844 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2c(F)cccc2OC(F)F)CC1 1359166974 ORKGHLDFNCAQPB-UHFFFAOYSA-N 434.487 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NC(C)C)CC1 1359184052 BAXVESPOYKZTNB-UHFFFAOYSA-N 447.631 4.904 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2C[C@H](F)C2)C1 1359314100 WCEIDIVKAIZRIO-MEZWHVQBSA-N 448.970 4.991 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCCC1(C)C 1359476473 FJVZCPZAUCSSEC-ZHRRBRCNSA-N 448.036 4.761 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(OCC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1434944546 WIBJWDZBRFZPQH-HXUWFJFHSA-N 428.451 4.912 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(C(C)C)c(C(=O)OC)s1 1436271083 CUWUDVNDHVJLMN-UHFFFAOYSA-N 428.432 4.889 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c(C#N)cn1CC 1436857612 AESBYKKPIXVPAN-UHFFFAOYSA-N 447.278 4.770 30 10 IJEE C[C@@H](NC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 1458848416 GFZSUJLUKXKPGD-MRXNPFEDSA-N 427.895 4.950 30 10 IJEE CCN(C[C@@H](C)C#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1464236943 DTDWHMMGVLUJNA-UUOWRZLLSA-N 433.552 4.558 30 10 IJEE C=CCOc1cccc(NC(=O)N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 1465382933 XILBTBHUTACYJB-KOSHJBKYSA-N 429.561 4.800 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1)c1ccccc1 1465466416 GQOOKAQGWAKKLL-XMMPIXPASA-N 434.584 4.683 30 10 IJEE C=CCN(C(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1)[C@@H](C)COC 1469312431 DWSOVXSZAFJVLY-YWZLYKJASA-N 435.337 4.910 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)c1ccc(I)cc1 1470074654 NURBOJIVWIQKKP-YOEHRIQHSA-N 425.310 4.505 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)N(C)c2ccc(C)cc2)nnc1-c1ccccc1OC 1472921027 GUUXAJQALPNHQW-OAQYLSRUSA-N 436.581 4.982 30 10 IJEE CN(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1476792200 FVGJNWWFNSJNAY-KBPBESRZSA-N 429.380 4.970 30 10 IJEE C#CCCCCNC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 1478202123 JUOWARVIGZUXPR-LJQANCHMSA-N 439.419 4.539 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1CCO[C@@H](C)C1 1504097725 HOBSPAJBJCQDOH-IRXDYDNUSA-N 443.979 4.552 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1507565334 CCKRNIVACZRBMY-QHCPKHFHSA-N 448.640 4.543 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1507567063 KIMPOWZDGJGZDL-AVRDEDQJSA-N 438.572 4.839 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C/C=C/c1ccccc1 1507645083 SVROJUUJFVDCEI-JTPHSUOKSA-N 426.589 4.918 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCOC2(CCCCCC2)C1 1507747661 JRLCITNPNSXXGO-UHFFFAOYSA-N 445.032 4.895 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)COCC 1507823260 FRQNLYMUWRFYIK-IBGZPJMESA-N 449.640 4.815 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@](C)(O)c1cccs1)C1CC1 1507995108 DBWNTJIUWFSTHB-XMMPIXPASA-N 438.597 4.598 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CCc1cccc(C)n1 1508028304 SONLBDUQVHVUBP-UHFFFAOYSA-N 431.515 4.858 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1508049745 GURYKFPPHSADNE-HNNXBMFYSA-N 441.295 4.904 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCCC)C1 1508114423 AOMGZBMQKWJOBQ-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(OC)CCC(C)CC2)C1 1508116865 PEZAKFOWTOGVGM-VZQLXNMESA-N 445.007 4.975 30 10 IJEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C(C)C 1511611076 FBERRROFFVGBER-UHFFFAOYSA-N 445.596 4.889 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1514090459 HFXPNGPVFVEPGT-DEOSSOPVSA-N 434.632 4.954 30 10 IJEE COc1cc2c(cc1Cn1c(C3CCC3)nnc1N(CCC#N)CCC(C)C)O[C@@H](C)C2 1518063870 BQJOQPCYBIKNPJ-SFHVURJKSA-N 437.588 4.692 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)n1 1520240799 XRTQQZLXJZHVGD-UHFFFAOYSA-N 446.601 4.960 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c(C(=O)OCC)c1C 1525887239 COSXRTSTBYRWQB-KBPBESRZSA-N 433.551 4.688 30 10 IJEE Cc1ccc(Oc2ccc(OCC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc2)cc1 1529367354 BTGPMPUZFFBJNI-UHFFFAOYSA-N 445.494 4.526 30 10 IJEE C=CC[C@H](OC(=O)c1ccc2c(=O)n(CC)c(O)nc2c1)c1ccc(Cl)c(Cl)c1 1530228988 IMYNIWAAWSYZFN-SFHVURJKSA-N 433.291 4.903 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)COc1ccc(CC=C)cc1OC 1535433389 SZSJMFLCRLCAKC-UHFFFAOYSA-N 432.314 4.769 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1 1539382150 ADLMAVSJWZIQIY-NRFANRHFSA-N 447.029 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCCN1CCC[C@H](C)C1 1539566039 CHSUNTTZAFDPOT-WNCULLNHSA-N 449.643 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)CC 1539617068 UJWLTURCYKZARR-WEYGHZABSA-N 439.604 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1cccnc1 1539654862 GPVQEQLFPMHXEH-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCCC[C@@H]2C1 1539684881 KVJHSLZLWXAFLQ-TZIWHRDSSA-N 444.023 4.939 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C)N(CC)CC)CC1 1539836612 VNIQYSHEWZGRPC-GOSISDBHSA-N 446.437 4.903 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](c1ccsc1)N(C)C 1540049574 OHWDHDAFTJYQCZ-QFBILLFUSA-N 429.565 4.544 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CCC)C1CC1 1540107280 JSFWINPCIWSYNI-QWFCFKBJSA-N 429.609 4.909 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCc2ccccc21 1540857636 JRYXHEQGVCTBHE-CTNGQTDRSA-N 437.588 4.702 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCSCC=C)C1 1540885295 FYSNRPINZLEAAF-PKOBYXMFSA-N 444.670 4.832 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1540912946 GLAAUTIEEAOLCG-KNQAVFIVSA-N 435.597 4.534 30 10 IJEE CC(C)(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)c1ccco1 1541171908 HYNZTCLBGQKFCP-AREMUKBSSA-N 445.567 4.533 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CC(C)(C)c2ccc(F)cc2)n1 1542582148 CBORRFRANKNEGD-UHFFFAOYSA-N 432.547 4.896 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 1556615909 BSZVRPOVJNJQEU-QHCPKHFHSA-N 442.600 4.678 30 10 IJEE C[C@H](NC(=O)c1ccncc1NC(=O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 1567480343 DORJYBLQHWEPCC-AWEZNQCLSA-N 438.409 4.612 30 10 IJEE C=CCC[C@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C)C(=O)OCC 1569186559 FOLZJDXRJLONTE-HNNXBMFYSA-N 426.460 4.765 30 10 IJEE C=CCN(CCC#N)C(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1569599666 HGLFBKGAYXRNEM-KRWDZBQOSA-N 426.344 4.830 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc2ccccc2n1C(C)C 1586698620 ICZBVUDFYOLLET-LJQANCHMSA-N 428.577 4.526 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)c2C#N)C1 1586957951 BEPYTLXMCFQFHV-CVEARBPZSA-N 434.348 4.573 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@](C)(CC)O1 1587575594 YRBCGLMEVSHRBW-HTZUNMPGSA-N 449.368 4.652 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1nccs1 1587745944 DQHKYNMKGUNFLX-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC=C)Cc1cccs1 1587803772 MSVSZEWPQUQKLO-UHFFFAOYSA-N 433.581 4.815 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C(C)C)N1CCCC1 1589164647 XCPXSVREHYFWOR-ZJSXRUAMSA-N 426.008 4.711 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccccc1 1593789050 GSCOEMOIOVXOFA-JOCHJYFZSA-N 434.506 4.789 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN(C)C(C)C)CC1 1594191833 ACQCMHXWOWOYKF-IBGZPJMESA-N 429.584 4.690 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)[C@H](C)CC)CC1 1594218831 USBWMCYCZHJULQ-OPAMFIHVSA-N 447.421 4.907 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1Cl)N(C)C 1594914058 UYBXTBQHLAYQPZ-SFHVURJKSA-N 431.371 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1nc(C)c(C)s1 1595201008 YKCBGWVTUYTLHT-UHFFFAOYSA-N 432.597 4.931 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1OC 1596354067 XNWRSALWJZHQOU-UHFFFAOYSA-N 433.460 4.820 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@@H](C1CCCCC1)N(C)C 1612262581 GXEKOUSVRWUCNY-DEOSSOPVSA-N 434.632 4.894 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)c1 1616692239 UWNOOXKZONGMSR-QGZVFWFLSA-N 431.467 4.598 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(-n3ccc(C(=O)OCC)n3)c(F)c2)CCCC1(C)C 1626852466 XVHDBNNUECIJOT-HXUWFJFHSA-N 428.508 4.787 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(Sc4ccccc4)CCCC3)n[nH]2)c1C 1628207994 ZVSWKDVNGHZELK-UHFFFAOYSA-N 435.597 4.911 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 1633043940 SOCVRJWYNCFSHX-UHFFFAOYSA-N 426.314 4.785 30 10 IJEE C=CCC[C@@H](NC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1)c1ccccc1 1633418263 SNLPONJMONQQNQ-TUNNFDKTSA-N 428.479 4.570 30 10 IJEE CCc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1634187760 GDCFMKWYIOZFQI-YADHBBJMSA-N 434.540 4.536 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2cccc(C(F)(F)F)c2nc1O 1634200056 PWDKMLYBLUQEEE-PKOBYXMFSA-N 425.410 4.871 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1OC 1634895328 HUZKEAIAUWBVRH-XZXOBPBMSA-N 436.335 4.820 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(COc2cccc(Br)c2)o1 1637757686 NJNIBDAPJUEOMC-GOSISDBHSA-N 432.314 4.761 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccnc(OCc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1640068638 VFVAIIYUWPTTIH-RUZDIDTESA-N 437.540 4.945 30 10 IJEE N#Cc1c(NC(=O)CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)sc2c1CCCCC2 1642267932 BOFIVGVTPUSRPC-FXAWDEMLSA-N 441.597 4.788 30 10 IJEE COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 1642499670 HWUNDPVRFGHPSZ-RTBURBONSA-N 429.520 4.824 30 10 IJEE C=C(C)CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccccc1Cl 1643395587 FXQFBCCTCIMBMT-UHFFFAOYSA-N 428.941 4.943 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)cc1OC 1650843951 BSTNPYHAMJYBBM-KSSFIOAISA-N 442.394 4.869 30 10 IJEE C=C(Br)CN1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1655275308 MZEFUZKCZUSCPS-CYBMUJFWSA-N 431.168 4.993 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 1661289043 AEZRGQYZQXFFIT-MRXNPFEDSA-N 428.554 4.864 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N(CC)C(C)=O)nc2)cc1OCC 1662847430 YCNJRMQQNBTKOC-UHFFFAOYSA-N 448.361 4.793 30 10 IJEE C=CC[C@H]1CCN1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1666404665 IMFGILWYQQDNOB-SFHVURJKSA-N 443.569 4.692 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1Br 1666463101 DAIDBRFVJWZPQV-UHFFFAOYSA-N 427.751 4.575 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1669370343 HNMZKIKVUGCSPP-WMZHIEFXSA-N 444.604 4.854 30 10 IJEE C#C[C@H](NC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1)C(C)C 1669598834 RUBFSISCECTXJH-JTQLQIEISA-N 436.253 4.737 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)[C@@H](C)N1Cc1ccccc1 1669823312 DPOYSALKUMXOPR-GVDBMIGSSA-N 441.373 4.836 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1 1670797133 LGYAKNUBAPJQLG-IBGZPJMESA-N 436.618 4.509 30 10 IJEE Cc1csc(NC(=O)N2C[C@@H](CCNC(=O)OC(C)(C)C)c3ccccc32)c1C#N 1671138607 BEGBBXPITJVSCZ-OAHLLOKOSA-N 426.542 4.979 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)cc(OC)c1OC 1671652365 MBAFEVIUNNYMLS-ZHRRBRCNSA-N 437.540 4.515 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 1674202332 IFSADHWFNSGNCN-ROUUACIJSA-N 445.485 4.986 30 10 IJEE COc1cc(NC(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)c(F)cc1C#N 1679428081 HERGAAZYZSPINI-GOSISDBHSA-N 441.503 4.742 30 10 IJEE C#CCN(C(=O)NCCCc1ccc(C(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1684333846 GIJYYXSVJFYSMM-UHFFFAOYSA-N 441.616 4.787 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCC[C@H]1CCCCO1 1690054530 APJZLYUXFDOJFM-JOCHJYFZSA-N 436.625 4.691 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1csc(CC)n1 1690306699 BOAFVHZELJRBSD-UHFFFAOYSA-N 448.596 4.741 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[C@@H]2OC)CC1 1690399280 SBAZSOKYVRBXCB-CUWPLCDZSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCC(C)C)cc2)CC1 1690413164 JFYGGMTYNZUCEA-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2CCOCC2)CC1 1690415786 YKPNDBNGPGYAHU-UHFFFAOYSA-N 430.980 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690437918 UBMDYFXPAWXXLP-OAQYLSRUSA-N 426.605 4.937 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC1CCN(CCC(C)C)CC1 1690520704 AAQJXUFGJOLGJS-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@H]1OC 1690533514 LKHODNBPOXKNCK-WMLDXEAASA-N 425.360 4.601 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cc(COC(C)(C)C)on1 1690534653 GJZOLDCUEKHXBF-UHFFFAOYSA-N 441.601 4.852 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1CC1(N(C)C)CCCCC1 1690559271 BZHSRRDADQHOMQ-UHFFFAOYSA-N 434.632 4.805 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CC1(OCC)CCCC1 1690585540 NVXICWWQIXQQPN-UHFFFAOYSA-N 448.409 4.574 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(OC)nc1 1705478463 BUOPAPWAVQTBKD-AWEZNQCLSA-N 437.956 4.723 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCCN1CCCC[C@H]1C 1705542972 SIICDQCMDKDOSQ-FYYLOGMGSA-N 437.632 4.759 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC1(COC)CCCCC1 1705594296 YIZBGCVMUXIKGY-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)Cc1cccs1 1705623039 DTWGTYJVAAVMLK-SFHVURJKSA-N 434.565 4.718 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccco1 1705709280 NATPLULYGHRVJP-GBXCKJPGSA-N 436.556 4.685 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC1CC(F)C1 1705710647 ZCHAEFASIQUCIY-VSFLDCQPSA-N 442.579 4.639 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@](C)(O)c1ccsc1 1705869802 FSDXDSAPPBKAIE-XMMPIXPASA-N 434.609 4.896 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1705890488 SHRWQJQVYOBJOX-MOPGFXCFSA-N 449.665 4.689 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1C 1705950084 RCIHSQOYGKYOTK-KSZLIROESA-N 435.638 4.504 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2CCCCO2)cc1 1707563196 COJXPNIVHNLCMV-NRFANRHFSA-N 439.629 4.968 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)n1 1707718259 GZPOYQAPDBCJLH-AWEZNQCLSA-N 426.977 4.907 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2nc(C(C)C)cs2)c1 1711910549 FBTVYVQMXZLYAR-QHCPKHFHSA-N 436.585 4.712 30 10 IJEE CS[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C#N)CC1)C(C)(C)C 1712748979 HGFNBSBMZWNWEF-NRFANRHFSA-N 441.645 4.992 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCC1CCOCC1 1722280563 FSLXAFYNFIKGBP-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cc(Cl)ccn1 1722326115 DIPXGVLLSHMJDA-UHFFFAOYSA-N 430.943 4.900 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H]1CCCOC1 1722327829 OHRJDBRENQYMMG-LJQANCHMSA-N 435.597 4.653 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C\c1ccccc1 1722411383 FHOJZWQLQWRWNG-LHTZNZITSA-N 449.599 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC(F)(F)C1 1722466361 RPNOQCJENSUXCM-WZONZLPQSA-N 441.526 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCSCC1 1722496222 WFOXQBISKDYNJG-PZJWPPBQSA-N 426.630 4.777 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCCSC 1722508602 JSXATAYTNCSIJL-WZONZLPQSA-N 439.629 4.521 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCSC(CC)(CC)C1 1722510916 XVIOUECRLWPDNS-AQNXPRMDSA-N 434.650 4.613 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CCOCC1 1722544685 LCGLZWIOKGAXTF-UHFFFAOYSA-N 439.785 4.631 30 10 IJEE C=C(C)Cn1c(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1722553358 PEDGCCDVHUGLQT-NRFANRHFSA-N 449.643 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1722587753 ZMTIVIWLEWVIFW-KRWDZBQOSA-N 443.567 4.790 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722590819 JHHIWKDKTZOYGW-JXXFODFXSA-N 427.420 4.795 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1722591143 LDHVTGOVKYGKON-SYYKKAFVSA-N 442.579 4.880 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CSCCS1 1722595923 YFHDKPQBCFYAJC-SFHVURJKSA-N 446.642 4.705 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722597601 OSNLTEFAJNHMOJ-DNVCBOLYSA-N 438.494 4.953 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1ccco1)N(C)C)C1CC1 1722645983 FCVCYBYEECNXKS-IBGZPJMESA-N 441.963 4.658 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1ccccc1-c1cnn(C)c1 1722674430 CNCYJPQVYKOKGM-UHFFFAOYSA-N 430.556 4.678 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCC(F)(F)C1 1722678662 UUXKLFCYPKLHFM-QGZVFWFLSA-N 427.499 4.568 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C)C(C)(C)C2)cc1 1722704388 HLJUUJPFLTYYPQ-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](CC)N1CCCC1 1740537685 GMWHNQARFJBEAN-GHTZIAJQSA-N 448.640 4.709 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1740540223 ILGYUQZMGLYJRG-NFBKMPQASA-N 431.584 4.786 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740673323 PMBSPEIMEZNVLM-DVECYGJZSA-N 433.600 4.651 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSCC1 1740738059 CUCFMOMGFPQMCU-CYBMUJFWSA-N 443.798 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740754858 HIPXUHKDTSIEAQ-UIFIKXQLSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(C)C)C1 1740758639 AAMVGYLQILRUNP-IXFSTUDKSA-N 430.543 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)CC(C)C 1740766904 LLLJZZMAQPEODL-XMSQKQJNSA-N 430.618 4.652 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1cc(COC(C)(C)C)on1 1740775155 OVHIIDNCNURHOO-UHFFFAOYSA-N 441.551 4.762 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1740841828 BZSDRSQBBLXAFM-SIKLNZKXSA-N 442.579 4.994 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1CC 1740884083 PDTQVAYSLADJGY-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740998680 RYIRGEJRQTWLKI-LJQANCHMSA-N 429.540 4.608 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cscc2C)s1 1744415299 DHJCSGPVXOSXJZ-UHFFFAOYSA-N 434.594 4.890 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1ccsc1 1748868481 XPPANAUSVBOKJV-NRFANRHFSA-N 432.593 4.802 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCC(F)(F)C1 1748894692 AUGAFHICNVMIAT-LJQANCHMSA-N 428.502 4.687 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nc(C)c(C)s1 1748918038 VAXIKKPKJNQAFZ-UHFFFAOYSA-N 444.402 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1ccco1 1749121335 MFUMVUBNZFNTJE-MDKPJZGXSA-N 437.500 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OCC)cc1 1749126293 ANOZYWSSLKPZLK-XUZZJYLKSA-N 447.583 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCCCc1ccccc1 1749130641 NIOSISSNYKEZFM-SMIHKQSGSA-N 438.616 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H](O)C1 1749147484 JVUNCEPIUVOSSG-APWZRJJASA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(Cc2ccc(F)cc2)CC1 1749165877 RAYLPPCEOADWOL-UHFFFAOYSA-N 436.579 4.704 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1749174232 KJJKMVGNQJRBGB-WIYYLYMNSA-N 430.618 4.971 30 10 IJEE C=C(Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 1749244463 OOXNIEAIHRAGKE-IBGZPJMESA-N 448.489 4.581 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749256713 AJUOWUFARBLULQ-GOSISDBHSA-N 429.977 4.603 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCCC2(C)C)CC1 1749330487 DWKXOPVEDHIXKU-XMMPIXPASA-N 446.542 4.890 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@H]2CCCCO2)CC1 1749352225 HOLQYXWUEMWXCP-YPAWHYETSA-N 430.637 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1749571164 ITCCCADNNOAIIM-UHFFFAOYSA-N 446.555 4.914 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1CC(C)C 1749586296 OXNOWFBNJYQESB-UHFFFAOYSA-N 432.366 4.530 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760154720 ZAPZJPBHOXXDMI-GOSISDBHSA-N 444.963 4.714 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1c(C)noc1C 1760195073 WEMBFZNVMGKZOM-XMSQKQJNSA-N 445.567 4.516 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCCC[C@@H](SC)C1 1760311484 RADCCLSQPCDKGJ-OAHLLOKOSA-N 427.437 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cnn(C)c1 1760329639 GTSYASMYRMWFMC-UHFFFAOYSA-N 429.572 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1ncc(Cl)n1C 1760413281 CWSPPAPSOIVCIJ-UHFFFAOYSA-N 442.995 4.503 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccn2C)n1Cc1cccc(C(F)(F)F)n1 1760419092 HUVUCGHIEVVKDH-UHFFFAOYSA-N 432.494 4.928 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCOCC1)c1ccccc1 1760419990 HFOGGHMJDUWIOY-YTFSRNRJSA-N 438.616 4.783 30 10 IJEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N(Cc1cccs1)Cc1cccs1 1760431718 ZWZFEPAVAMXKKF-UHFFFAOYSA-N 441.626 4.810 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c(F)cccc1F)C1CC1 1760475531 KXDRBGLZXSEPOR-WIYYLYMNSA-N 430.543 4.872 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccsc1 1760498509 UQKHUCJYOWAQBX-HSZRJFAPSA-N 438.553 4.644 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2CC(C)(C)C2)C1 1760547750 QSWWSFVDTDMCFI-FQEVSTJZSA-N 430.980 4.728 30 10 IJEE CC(C)(CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1760809581 BMEGYICWFPDDIN-GOSISDBHSA-N 446.020 4.779 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC(C)C)nc1 1764327794 CURUGCMNMUIOMZ-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1csc([C@@H](C)OC)n1 1766001084 DCRAIAYLWOFTEZ-MRXNPFEDSA-N 436.585 4.655 30 10 IJEE COC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H](C)C#N)CCC(C)CC1 1769758501 AWGCMVPSSABRPJ-BNGSBABLSA-N 447.530 4.738 30 10 IJEE Fc1cccc(CCn2c(C3CC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 1770719639 BLEMXELGEIGWIR-UHFFFAOYSA-N 436.375 4.858 30 10 IJEE C=CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1cccc(C(=O)O)c1 1772733445 ALXVCFAMPVFTCN-BNCGLULESA-N 443.322 4.937 30 10 IJEE O=C(/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860730769 GKLQDMXCAQIHKC-AATRIKPKSA-N 432.276 4.853 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 1860736841 GAUUBPRNVBFJEA-VPEPAIJCSA-N 443.584 4.520 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc(Br)c1)c1ccccc1Cl 1862438631 CSQVVJODZWWLPO-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)c(O)c2)c1 1862489533 XHFROUYZCFDRHI-XKDCRVNJSA-N 435.520 4.872 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862502364 YAMGYEJUEOTDLA-HSZRJFAPSA-N 430.479 4.870 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2c(c1)CCCN2C 1862554123 VUKGFYPUQDNMGR-XMMPIXPASA-N 430.548 4.546 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c(OCC)c1 1862596825 PUIORZZVJBHDAV-QFIPXVFZSA-N 439.508 4.655 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc(F)c2)cc1 1862615681 LXCPTYOZXYBAAU-QFIPXVFZSA-N 439.527 4.864 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2 1862626509 CUABIIIDMMCQDH-QFIPXVFZSA-N 447.874 4.847 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1nc2ccccc2[nH]1 1862673997 JAPPBMXBRPWFNF-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 1862714823 HQLSZKVKJCBQPC-XMMPIXPASA-N 446.522 4.899 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2ccc(F)c(C)c2)C1=O 1863466914 YBXZTNOWTKMLOA-UHFFFAOYSA-N 443.316 4.891 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2cc(C)ccc2C)C1=O 1863740716 AFJIQURZVLORGS-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE O=C(CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1868147610 OSPAWFXCOCVQQF-HZPDHXFCSA-N 448.338 4.722 30 10 IJEE Cc1ccccc1OCCCC(=O)Nc1c(C#N)nnn1Cc1c(Cl)cccc1Cl 1870105772 HYNXNUFPGBWDAY-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCCO 1870232995 SJQQXLUEPRYDAG-UHFFFAOYSA-N 428.598 4.885 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cc(Cl)cc3c2OCOC3)cn1CCC 1870587873 KREQGFGVEZVNPG-UHFFFAOYSA-N 444.959 4.531 30 10 IJEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871371814 KOTQVRWUBSGYJW-YVNNLAQVSA-N 432.403 4.627 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OCCN4CCCC4)ccc3C2=O)c2cc(OC)ccc21 1871444556 JKRVLHXSEZPORT-QFEZKATASA-N 432.520 4.761 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872233199 NKPNLINMPNFHTK-QGZVFWFLSA-N 426.991 4.776 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 1873518073 KMVCIDAPEKNWDJ-UHFFFAOYSA-N 431.467 4.958 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCc3ccc(F)cc3)ncnc21 1873611831 UMIZBGYHFRSIFH-UHFFFAOYSA-N 445.498 4.938 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(Br)c1)n2CC 1873656214 SYOIJSZXAQUICI-UHFFFAOYSA-N 440.345 4.644 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(OC)c(O)c1 1874247395 CAVYOCMTVFHODQ-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1F 1874398170 VWTQINCAXKFFSX-SQAVSUBZSA-N 444.507 4.636 30 10 IJEE C=CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874449026 QWEFNQHAABZJOS-LKZQPVPRSA-N 430.574 4.868 30 10 IJEE O=C(CSc1nnc(C(F)(F)F)n1/N=C/c1cccc(Cl)c1)Nc1ccccc1 1874458631 YJZQQCKUVMZISC-AUEPDCJTSA-N 439.850 4.563 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccc2ccccc12 1874468386 GLOJLFLZOYSQRZ-ZMOGYAJESA-N 434.521 4.865 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)C)cc1 1874512099 WEHGQNJSTCBGSX-ZMOGYAJESA-N 441.532 4.552 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccccc2OC(C)C)cc1 1874530098 QZTPNPQDEPIHGB-ZVHZXABRSA-N 437.569 4.549 30 10 IJEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)OCO2 1874582891 MEWMOSUTLQOKGO-VAWYXSNFSA-N 431.488 4.712 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)c1 1874605513 SBQIVJCCQGTVRM-FNORWQNLSA-N 428.897 4.719 30 10 IJEE COC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1874633326 XARQZBDYUUHASF-SOFGYWHQSA-N 433.298 4.522 30 10 IJEE CCCCCCCCC(=O)NCCCc1nn2c(COCc3ccccc3)nnc2s1 1874796648 ATMXEHUMBRXDBG-UHFFFAOYSA-N 443.617 4.702 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(C)=O)c([N+](=O)[O-])c2)cc1OCCC 1875123706 AACMEOLFDVZMDZ-RMKNXTFCSA-N 427.453 4.994 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)C1CCC1 1875148023 XVVLOPKLLMHJEC-CSKARUKUSA-N 434.488 4.797 30 10 IJEE C[C@@H]1SC(=NCc2scc(Br)c2Br)N[C@H]1C(F)(F)F 1882706978 XYWYQMCXNCNYBN-RNHFCUEFSA-N 438.132 4.785 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C[C@@H](C)n3nc(C)c(Cl)c3C)ccc21 1890487520 QICAWIYVKVHZKW-CQSZACIVSA-N 444.963 4.681 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Br)c1 1891694746 MWMGIJUCLCTRRH-UHFFFAOYSA-N 446.650 4.934 30 10 IJEE N#CC1CCN(C(=O)c2ccc(C3CCN(C(=O)OCc4ccccc4)CC3)cc2)CC1 1892357483 XBNFZYSZZSFYBO-UHFFFAOYSA-N 431.536 4.579 30 10 IJEE C#C[C@H]1CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1898936058 MFRAGMJYHWVGIN-OUDXUNEISA-N 444.575 4.858 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)C12CCCCC2 2072200128 XJKRIKNZHHETGX-HOYKHHGWSA-N 449.592 4.618 30 10 IJEE Nc1cc(-c2ccc(F)c(C(F)(F)F)c2)nc2c(Br)c(C(F)(F)F)nn12 2081474061 FCIKLEGCNRBZIY-UHFFFAOYSA-N 443.120 4.918 30 10 IJEE COc1c(Br)cc(Cl)cc1NCc1occc1B1OC(C)(C)C(C)(C)O1 2157538111 WOICKVWGSLFLDF-UHFFFAOYSA-N 442.546 4.615 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174814853 MNRYILCJXGWZSI-SUMWQHHRSA-N 440.357 4.980 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1C(C)C 2224265404 GRKHJWXOEJEUED-WMLDXEAASA-N 429.403 4.737 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2c(Br)sc3ccccc23)[C@H](C#N)C1 2224676952 HNAYRDVMEQAXBA-CYBMUJFWSA-N 436.375 4.609 30 10 IJEE Cc1cccc(CNC(=O)OC(C)(C)C)c1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2232310846 YJGLLTDJCRAFOU-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(C)C 2235731965 QRPXMDVQWBEIJF-SFGWALBWSA-N 435.406 4.718 30 10 IJEE N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(Br)cc1I 2240326368 YJZGMPBOQIFDDQ-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(OCCNc2ccc(Br)cc2C#N)ccn1 2240655894 IKGCGDUXNCZZGZ-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE Cc1ccc(I)c(C(=O)[C@H](C#N)c2ccc(Br)cc2)c1 2240906745 YGDZKDBGRUAURQ-CQSZACIVSA-N 440.078 4.852 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248473971 MWHRHVXNMNEJCW-JOCHJYFZSA-N 426.601 4.763 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CC3)c(Cl)cc2F)OC1(C)C 2249384731 WLBVHSFJWWZETQ-UHFFFAOYSA-N 429.728 4.583 30 10 IJEE CN[C@H](C#Cc1ccccc1Cl)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2252760962 HXQOYOAAGVQTGD-CDNPAEQRSA-N 442.987 4.778 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2CN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2267456893 LVWWRAMIEDXJAU-UHFFFAOYSA-N 442.365 4.697 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1sccc1I 2278793913 QEBMSVGJDVABET-CQSZACIVSA-N 446.151 4.818 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@H](O)C#Cc1cccc(Br)c1 2296220970 DNOOFFHNVHDRSD-WOJBJXKFSA-N 436.390 4.883 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CCC1 2296266503 JCYIWKIMPLARLW-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2296285117 YONLLWWEZJSGFN-VQTJNVASSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296288059 BUZWFRDXIIPGPS-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296305739 YBEPAHDMEZLGJQ-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2296311294 VKVFZITZUZNIPF-RBUKOAKNSA-N 435.406 4.957 30 10 IJEE CC1(C)OB([C@H]2CCN(Cc3cc(Cl)ccc3I)C2)OC1(C)C 2303101151 GMBXMLWYYJPGNH-ZDUSSCGKSA-N 447.553 4.613 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 2304611390 HKPXOAFHYQMSOV-OWHZGTRUSA-N 428.573 4.698 30 10 IJEE CCOCCOc1cc(C)c2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O 2321903901 PVXCUASUDBMLMP-UHFFFAOYSA-N 433.298 4.798 30 10 IJEE Cc1cc(C)c(S(=O)(=O)NN=Cc2c(O)ccc3cc(Br)ccc23)c(C)c1 2323379515 JFRZHNZPZWHCHD-UHFFFAOYSA-N 447.354 4.546 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)c1 2324825997 YOOPEXDHOCYUAD-INIZCTEOSA-N 431.444 4.813 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 2324974664 RRFHVQBGCRSILQ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1OC 2325703769 ICOSWWXYKZUWDU-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1F 2325748456 QSFCZDBRBCNBFM-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccccn1 2325820889 FXRVNRWTZYWHRV-UHFFFAOYSA-N 437.569 4.719 30 10 IJEE CCOc1cc(C=Nn2cnnc2SCc2ccc(Br)cc2)ccc1OC 2326605934 MRCNQUYXUWTMKC-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(Cl)cc1 2326769123 HELNMKRHQHOODO-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE CCCOc1ccccc1C=CC(=O)[C@H]1C[C@H](NC(=O)Nc2cccc(Cl)c2)CCN1 2328082186 QNSLHIMYKNIPFC-NHCUHLMSSA-N 441.959 4.653 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(OC)c1 2328904065 CUKLSSCTGLBVFA-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2N=Cc2ccccc2)cc1C 2329453508 HYHRDNCUJRJAET-UHFFFAOYSA-N 436.581 4.659 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(OC)c(OC)c1 2329662065 CSRCIUDFRJSSKO-UHFFFAOYSA-N 428.583 4.692 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccc[nH]2)cc1 2330246186 MRLNEDBQATZDMK-UHFFFAOYSA-N 436.585 4.650 30 10 IJEE O=C1CCC(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2Cl)=NN1 2331472843 ZOTVZTJGPAUXNA-UHFFFAOYSA-N 432.863 4.561 30 10 IJEE CC(C)c1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc2ccccc12 2331711400 CXZHVGUGAKLUSN-UHFFFAOYSA-N 443.576 4.845 30 10 IJEE CC[C@@H](NCC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338519795 SGWPOHLIONHPDI-HXUWFJFHSA-N 446.441 4.577 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)ccc1OC 2339197433 VRKWNFKUALEYDV-WMZOPIPTSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339535711 NXOOUVQGVZFIMB-MOPGFXCFSA-N 443.397 4.832 30 10 IJEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582486 QRZZEWGFDIHVTH-KQDNUWKFSA-N 444.381 4.822 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339601603 YUFAFUGOKOWWKF-KDURUIRLSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@@H](O)C#Cc1ccc(Br)cc1 2363484567 UEEXPLFBMUTXEK-OALUTQOASA-N 436.390 4.977 30 10 IJEE Cc1cc(CN[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682893 ZULVMTXXGIEDME-TWFMJERGSA-N 447.428 4.768 30 10 IJEE Cc1cccc2c1N(c1ncc(Br)cc1C#N)CCN2C(=O)OC(C)(C)C 2381009565 GPXLLYSDIOSGQU-UHFFFAOYSA-N 429.318 4.917 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1OC 5800915 BIWPFRJUWPRQFE-DEOSSOPVSA-N 443.499 4.525 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CCCOc4ccccc4)n3)cc21 11968635 AHIAQKFDIVJGLQ-UHFFFAOYSA-N 449.532 4.519 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nccs2)cc1 38725832 JKBWEOOXSPVNDW-FQEVSTJZSA-N 446.484 4.573 30 10 IJEE C=CCNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccc(Br)cc1 39844277 QPVZITCBVKOYEX-UHFFFAOYSA-N 433.327 4.843 30 10 IJEE C=CCc1ccccc1OCCCCn1c(CNC(=O)c2ccncc2)nc2ccccc21 40183869 AGFGUARNVNIHES-UHFFFAOYSA-N 440.547 4.949 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc5c(c3)OCO5)CO4)C2=O)c1 41658495 AISVVVRPLIYKEU-VROXFSQNSA-N 427.456 4.692 30 10 IJEE CCc1ccc(C(=O)/N=C(/NCc2ccccn2)Nc2ccc(Br)cc2)cc1 46125400 FTESUJOATUNXCV-UHFFFAOYSA-N 437.341 4.805 30 10 IJEE COc1ccccc1N/C(=N\C(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12 66437632 ZMDGNEQRCUKMKD-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE C=C(C)C(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 96031903 DVEHRVPFAWVDCV-TUQMGJNKSA-N 430.585 4.752 30 10 IJEE CCN/C(=N\c1cccc(F)c1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 105535775 BCSLEGBHWBOEAZ-MRXNPFEDSA-N 440.327 4.795 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 169906334 UTXACMWNUKYHTN-SSDVNMTOSA-N 445.368 4.880 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 170047728 VZLOOMKWWWQTBM-HSZRJFAPSA-N 428.488 4.544 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2F)c1 170069296 WSGDIYAZOHSQBG-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2c[nH]c3ccccc23)cc1C 170076004 IDODJBHLKINAFJ-JPYJTQIMSA-N 430.504 4.542 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(C)o2)c1 170102672 FNRHZQMCOGYYJQ-XMMPIXPASA-N 431.488 4.694 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCCC2)cc1 170114893 IWRHSXMOGBGDIE-VOIUYBSRSA-N 447.531 4.930 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)c(C)c1 170123639 KCMBEOWRTKMVJN-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170150044 XVFNJNAFMSKYNX-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccccn1 170172478 VQSKHRYHDRISFM-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170214844 WCTONFSQSXTUIA-VOIUYBSRSA-N 447.531 4.930 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccccc3)ccc2O1 170222871 YJDHWLHTXKFZFR-IQMFZBJNSA-N 429.447 4.932 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2sccc2C)cc1 170312664 RBEBKZDIANAQLH-SFHVURJKSA-N 425.531 4.905 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H](CCCC)CNC(=O)OC(C)(C)C 312282993 QAIHMIGYGXSGIX-GOSISDBHSA-N 439.394 4.634 30 10 IJEE Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 437462835 XFLXHRNEBWDRLL-OXJNMPFZSA-N 448.523 4.924 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)cc(OC)c1OC 467035813 SKVJYBLVUVHGER-UHFFFAOYSA-N 433.346 4.509 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CN1C(=O)COc2cc(Br)ccc21 476081119 RZCPLGWASYRBKU-UHFFFAOYSA-N 443.341 4.665 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCc3cc(Cl)ccc32)nnc1-c1ccco1 481133796 AQHXPYYNPSZVIE-QGZVFWFLSA-N 428.945 4.663 30 10 IJEE CC(=O)c1ccc(C#N)c(N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)c1 543438946 ZALTXLXRHRQALE-UHFFFAOYSA-N 447.432 4.573 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 550070377 HQHIYZJGPXVZKA-JOCHJYFZSA-N 440.950 4.885 30 10 IJEE Cc1ccccc1[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 555182729 BBRKPAZFZXORML-RUZDIDTESA-N 435.531 4.751 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Nc3ncccc3C)C2)c1 585879326 JFAXICRVWRHDHF-NRFANRHFSA-N 435.572 4.654 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 670205957 DYPOKYNNHWBKIT-QGZVFWFLSA-N 446.386 4.878 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)[C@@H]2CCCCO2)nnc1-c1ccc(Cl)cc1 675165720 MVWBOSFLSOXVDW-SFHVURJKSA-N 449.020 4.588 30 10 IJEE N#Cc1cc(F)ccc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687754014 BLYKBJZBYAUMDR-HSZRJFAPSA-N 430.435 4.752 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1cc(Br)c2c(c1)OCO2 698824550 MDABOJXNUCPZBR-LLVKDONJSA-N 437.212 4.542 30 10 IJEE CN(C(=O)c1ccccc1C(=O)OCc1cc(Cl)ccc1OCC#N)c1ccccc1 735332819 FTNZMTDHNOZHOP-UHFFFAOYSA-N 434.879 4.876 30 10 IJEE N#C[C@H]1CN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCN1C1CC1 746249281 ZNCQWZKGSNRKIF-QFIPXVFZSA-N 435.527 4.746 30 10 IJEE C#CCn1ccc(CN(CCOC)[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1 789324787 RXJMUIDZFIDWOG-HNNXBMFYSA-N 433.339 4.688 30 10 IJEE CC(=O)N1CCC[C@@H](Cn2c(-c3cc(C)[nH]c3C)csc2=Nc2ccccc2C#N)C1 795032392 CYQVFBIPZSUJIH-LJQANCHMSA-N 433.581 4.524 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CCc3c(Cl)cccc32)c(C(=O)OCC)c1C 1124820384 FODQXQUUXVWFNT-OAHLLOKOSA-N 447.940 4.898 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)c1ccccc1 1125306210 SQIBMNMPBZOPQT-GRYPHDSZSA-N 439.581 4.578 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(Sc3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1125577216 UQQMECXERQKJNA-DEOSSOPVSA-N 438.549 4.931 30 10 IJEE C=CCN(C(=O)c1cc(F)cc(Br)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1128003069 HAHFFTCFMOLUJH-FQEVSTJZSA-N 448.332 4.699 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)OCC 1132415028 DZRNBYBYSQOMEK-CQSZACIVSA-N 447.771 4.850 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 1133321055 IWQVYCCWGMOBSZ-RUCARUNLSA-N 444.453 4.645 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 1147166177 NFLFHAXTEJGILD-LAUBAEHRSA-N 430.545 4.800 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)c1ccccc1 1149768737 UHCHGCUMZOZPIG-VQIMIIECSA-N 429.358 4.566 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1OC 1157347821 WKDWXZYLYVZZIH-NTPDMAOXSA-N 436.335 4.820 30 10 IJEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 1167391008 FMBBQWYPOAQKTK-QFIPXVFZSA-N 439.559 4.645 30 10 IJEE C#Cc1ccc(NCc2cc(I)c(Br)cc2F)cc1 1179755526 NZIKOWWKXZZURE-UHFFFAOYSA-N 430.058 4.786 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(COC)ccc1OC)c1ccc(C(F)(F)F)cc1 1188469235 HMKWQMVHFILASM-GOSISDBHSA-N 443.487 4.846 30 10 IJEE COc1cc(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)ccc1OCc1cccc(C#N)c1 1194700689 GLEHQZKAMRHQIN-HSZRJFAPSA-N 430.552 4.505 30 10 IJEE C=CC[C@@H](CC)NC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1209153399 QSCXHKUUTYMYFZ-MRXNPFEDSA-N 446.345 4.603 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 1216180748 CAMOCCLRKJBDML-UHFFFAOYSA-N 425.312 4.905 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2CC)cc1 1216699330 DVHOZJFBZMHJJC-UHFFFAOYSA-N 442.441 4.787 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 1272482963 AMCGWGQXGKLMHX-JOCHJYFZSA-N 434.398 4.865 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccc(Cl)cc1F 1275498475 OJPZSXNHUBUTJH-WOJBJXKFSA-N 446.906 4.544 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1286316767 GLYQUNPCROHSJM-JOCHJYFZSA-N 449.002 4.508 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286357474 VRTILSXFRCZEKF-HSZRJFAPSA-N 449.643 4.633 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCN(C)C1CCCCC1 1286436945 BSZASHJFFCVCEU-UHFFFAOYSA-N 433.644 4.862 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(C)(C)C 1286461479 YRMFKBRHXOXSDL-UHFFFAOYSA-N 447.421 4.928 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cccs1 1286584564 GSWUDSNDMCWWAF-SFHVURJKSA-N 441.988 4.841 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1286650265 ZYIRYKNSOBKJGA-XMMPIXPASA-N 442.567 4.720 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)CC1 1286695015 MGLUPILXUKPVBC-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cc(Br)ccc1F)C1CC1 1286736360 DKPRDSGNDMTKCC-IBGZPJMESA-N 449.368 4.819 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1Cc1c(CC)noc1C 1286744351 FVGGFFVALUPJTJ-UHFFFAOYSA-N 446.530 4.503 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCO[C@@H]1C(C)C 1286746403 XCYYZVWLLYWTKW-ILBGXUMGSA-N 431.584 4.518 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1286769481 YDPJECDYKXVLSY-ROUUACIJSA-N 438.597 4.502 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccc(Br)o1 1286770134 UMKWBOPLJFWCLE-UHFFFAOYSA-N 438.329 4.980 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1286777350 VWTRLKUAMHLHLH-VQTJNVASSA-N 444.023 4.787 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](COC)C1 1286831281 CETNWPWTASUNGI-IBGZPJMESA-N 435.037 4.694 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 1299459672 ASHWMFNGTKZAEE-OALUTQOASA-N 438.609 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nnc(C(C)(C)C)s1 1300282184 NLELOFLSRZKWNU-INIZCTEOSA-N 436.629 4.898 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1300287234 WKSWZLQINWUWJQ-AQNXPRMDSA-N 428.024 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1 1300305323 ZJGZEKILXFOXSJ-UNMCSNQZSA-N 449.599 4.564 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(Oc2ncccc2F)CC1 1300352258 HERNNKBHDQXMQB-UHFFFAOYSA-N 433.531 4.639 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 1300353697 YGKFIYJPCKNLBC-UHFFFAOYSA-N 425.458 4.996 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CCC)OC 1300643641 UDKVNRWIVUQRNP-HXUWFJFHSA-N 441.938 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)NC1CCCCC1 1300907243 XNOKOLDLXHCAQK-UHFFFAOYSA-N 433.959 4.589 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1cc(C)ccc1OC(F)F 1300918967 ODXVNZKRBJIUQX-UHFFFAOYSA-N 427.499 4.624 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1300936822 MQDBFYYEWCZWAX-UHFFFAOYSA-N 444.764 4.895 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1301074650 FYPISGWFCKRCBD-FXAWDEMLSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1301135019 RBGPOTJLYZDNCI-WIOPSUGQSA-N 436.600 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301160944 ZGDBFNXKTCFXSQ-XLIONFOSSA-N 432.996 4.974 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(CC)s1 1301187662 AEOAXEBTYAOQJJ-FQEVSTJZSA-N 439.585 4.802 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)N(C)C 1301347615 YMOXJBPTEPSREI-OAQYLSRUSA-N 431.540 4.935 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1301433129 KWFNVBMCEOTOIM-JRGCBEDISA-N 428.552 4.917 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(C)(F)F)c2)C1 1301566653 PDIBSXYVMSYWPW-NRFANRHFSA-N 430.543 4.952 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CC(F)(F)C1 1303908380 CBDCRYHOJUQCAO-ORAYPTAESA-N 439.869 4.559 30 10 IJEE COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@@H]1C 1310367187 AZQYXFWZZNCAPR-ACJLOTCBSA-N 447.413 4.785 30 10 IJEE Cn1cc(CNC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c(-c2ccc(C#N)cc2)n1 1310634094 BBUYSCGBBZDQSG-SFHVURJKSA-N 448.596 4.888 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)cc21 1311252072 KIAUFIWVDQZZRM-KRWDZBQOSA-N 445.445 4.521 30 10 IJEE C#CCN(C(=O)NCCc1ccc(Br)cc1F)[C@H]1CCCc2ccccc21 1311929916 HEADAAWUAJAENX-NRFANRHFSA-N 429.333 4.853 30 10 IJEE C=CCCCCCCCNC(=O)N1CCC2(CC1)CO[C@H](CNC(=O)OC(C)(C)C)C2 1312826670 UPYHDVDLLORWHF-FQEVSTJZSA-N 437.625 4.618 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 1348583495 VPIZGOPGHUYPKE-FQEVSTJZSA-N 447.645 4.782 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Br)c(C)s1 1351081153 UFAASLNISDOWTQ-UHFFFAOYSA-N 425.300 4.562 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1351396062 VIPNLUXORRJPKY-HSZRJFAPSA-N 426.582 4.940 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 1354387541 GBNSRXRWUVEWDH-FQEVSTJZSA-N 445.469 4.731 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1 1358123349 LROROMCXCACGLB-UHFFFAOYSA-N 430.895 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCSc1nccs1 1358872419 ULECCLQOKCJCAM-HOTGVXAUSA-N 445.589 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cn2ccsc2n1 1358896258 AGXMWENHJXMCAU-GOSISDBHSA-N 448.596 4.504 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1358904406 DISCSOHSKLMJIZ-BWAGFHJFSA-N 426.536 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC(C)CC1 1359093118 KFHMDTCKCANVDK-RWABYOLFSA-N 439.560 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359095019 JAOBWPXUFQVOHT-ZLNRFVROSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCO[C@H](C)C1 1359108204 FTCDXIITVPXTMU-CVEARBPZSA-N 436.398 4.643 30 10 IJEE C=C(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1359120406 KZWCTSQTIHIYTN-GOSISDBHSA-N 432.341 4.769 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCCC2(CCCC2)C1 1359136696 SITTVKPZZLYTRQ-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(COC)CCC2)CC1 1359162685 ZOMRCWKMIDJTIE-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359192183 YNYZMMQNCNFQCB-NRFANRHFSA-N 438.616 4.899 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCCC2(CCOCC2)C1 1359204618 VWQGSCYWYQPICF-UHFFFAOYSA-N 430.543 4.900 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H](c1ccco1)N(C)C 1359259710 FOPHNCLCRQBMDF-JOCHJYFZSA-N 446.530 4.568 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1SC 1359277453 MTIJSRGGSFSOCR-QGZVFWFLSA-N 442.560 4.519 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1ccccc1CN1CCCCCC1 1360086746 ATWQTOLICDYMAR-UHFFFAOYSA-N 426.358 4.627 30 10 IJEE C[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccc(Cl)cc1 1360577498 BVHBVMCJEJNAPB-AOMKIAJQSA-N 431.943 4.574 30 10 IJEE N#CCOc1ccc(CC(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)cc1 1437143051 GVMCMZJJXSJBHQ-UHFFFAOYSA-N 430.689 4.734 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cc2cccnc2cc1Br 1446437379 ZMGIONSVPLYUEC-UHFFFAOYSA-N 427.298 4.501 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1Oc1ccccc1 1448152022 BJISIYHLNNUWHI-ISJGIBHGSA-N 428.488 4.705 30 10 IJEE C=CCC[C@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)C(=O)OCC 1449697458 OBQRLMLEAJGZJH-INIZCTEOSA-N 449.370 4.623 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OCc3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1456137821 MZKZWMKWTDZUAW-VWLOTQADSA-N 437.540 4.945 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H]2C)c1 1457500318 ZWSOEBBBOAXQQE-DLBZAZTESA-N 432.973 4.592 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(C2CC2)c(C(=O)OC)s1 1458000313 PIIVEKOGOSFLGI-UHFFFAOYSA-N 426.416 4.643 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 1461836694 AWXLHUPGJBMNFI-LJQANCHMSA-N 438.291 4.850 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(CN3C(=O)CCCC3=O)cc2)cc1OC 1462052842 RPACKDBWTIUKAT-UHFFFAOYSA-N 428.916 4.565 30 10 IJEE CC(C)(CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 1468354768 AHTFYOKAXMFZSC-LJQANCHMSA-N 445.394 4.691 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](Cn2ccnc2)C(C)(C)C)cc1OCC 1473950280 GTHPHSHEBURQRB-LJQANCHMSA-N 436.394 4.814 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1ncc(C)s1 1507521543 AAVGNUNPBDHQDN-ZIAGYGMSSA-N 444.402 4.734 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCCS1 1507681345 WMTGJKJBZDCOLN-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1507826183 ISHYZXNYZSPBOJ-ZCYQVOJMSA-N 431.584 4.834 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1507859604 AONXYAQOBCBTDG-CYBMUJFWSA-N 436.944 4.670 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@](C)(O)CC)CC1 1507880443 JDZYVUDVECRWDT-IBGZPJMESA-N 439.785 4.678 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC2CCC(OC)CC2)CC1 1507900790 UZUMHXGWPCPYMV-UHFFFAOYSA-N 429.996 4.991 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1507944310 OYHMSUGZDUNPPM-UHFFFAOYSA-N 439.995 4.690 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@H]1CSCCS1 1507999198 MCPZDHKHPOYPFT-OAQYLSRUSA-N 439.654 4.849 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@H]1C 1508000689 YOBPBSNDJMTYCN-NZQKXSOJSA-N 426.568 4.764 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc(F)cc1 1508430610 CGFLHYCVPKRAJE-DUXKGJEZSA-N 441.595 4.909 30 10 IJEE CC(C)(NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cn(-c2ccccc2)nn1 1517666639 BGZVCPYDHOWIRI-UHFFFAOYSA-N 441.466 4.735 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CC1 1517898075 CNSXBEYCOIEZJM-VWLOTQADSA-N 437.588 4.704 30 10 IJEE COc1cccc(Oc2ccc(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)nc2)c1 1519455289 HTKYSMVIBRAXLZ-UHFFFAOYSA-N 429.354 4.905 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H](C)SCc2nc(O)c3ccccc3n2)C(F)(F)F)cc1 1521338218 UOOQPKFMQSLOLK-BFUOFWGJSA-N 446.450 4.785 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2c(OC)cccc2SC)nnc1-c1ccco1 1528956168 ZSXVKTFOWUZZJP-UHFFFAOYSA-N 430.555 4.576 30 10 IJEE CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1 1529253972 FXHDXBAGZMTGPD-OAHLLOKOSA-N 427.957 4.950 30 10 IJEE Cc1ccc(C#N)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1531630219 FSVFPKBMVIWCOO-IFMALSPDSA-N 437.515 4.529 30 10 IJEE C#CCOc1ccc(C(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 1535299938 VMSXQLMAYBTVLR-HHHXNRCGSA-N 430.592 4.996 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCC2CCCC2)c1 1539043339 OXYQTLZNBULKMI-HSZRJFAPSA-N 449.599 4.546 30 10 IJEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(CC)Cc1ccc(Cl)s1 1539133763 KOPJYBXPCFCDCH-UHFFFAOYSA-N 439.972 4.884 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCSC1 1539237996 PHKKAWZLYJVELT-HNNXBMFYSA-N 426.998 4.639 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCC(F)(F)C1 1539340841 UCXSIXMWZLQZCM-IBGZPJMESA-N 443.542 4.822 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](CC)C1 1539500156 UIIHGRLYZHHGET-INIZCTEOSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1539566740 PJEVWZKCPXOXDS-BBVWWWHTSA-N 436.600 4.609 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(C)Cc1cccc(OC(F)F)c1 1539574440 KDUFSQJKWGHRAD-LBPRGKRZSA-N 429.309 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1539651568 HRHPQXLKRSTSSM-XXBNENTESA-N 442.604 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1539662363 SIMGXKFMPBIIFB-XMMPIXPASA-N 430.600 4.888 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CC1CC1 1539785738 APGNWESMLGZKMQ-UHFFFAOYSA-N 438.732 4.729 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1539811386 DFHFGNPRTCOZKJ-HNNXBMFYSA-N 449.049 4.789 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1Cc1cccc(C(F)F)c1 1540184614 GRRLCZJINCTOKE-UHFFFAOYSA-N 436.466 4.549 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCC[C@@H](C)C1 1541107261 ICTGFOFYHZFKSZ-MOPGFXCFSA-N 440.661 4.603 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1541510714 HAUZUWLMWDNGHL-RTWAWAEBSA-N 434.632 4.952 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1 1542548962 HMHGBFKUCWAERZ-UHFFFAOYSA-N 442.309 4.647 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2nc3ccccc3n2C(C)C)CCCN1C(=O)OC(C)(C)C 1544390034 FORRTGUSSICDBC-VWLOTQADSA-N 440.588 4.622 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1 1547683471 FYNNLKYRVWHGOJ-OAQYLSRUSA-N 434.613 4.698 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccoc1 1557510278 KZOCPVDGTVFTRQ-VWLOTQADSA-N 444.531 4.812 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1)C(=O)OC 1558380742 FEQZRRPQNBNAPA-KRWDZBQOSA-N 431.945 4.677 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-n3ccnc3)c(F)c2)cc1OC 1560386383 HEDWHMDCPKEJHE-UHFFFAOYSA-N 432.293 4.959 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccccc1 1562369983 AIYLKLJQWAPQLE-FYYLOGMGSA-N 442.581 4.858 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@@H]1OC 1562436938 HKSZEZOROXINFD-SXLOBPIMSA-N 449.429 4.683 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1563430017 YWXDRDZQFCJTNO-AVRDEDQJSA-N 445.966 4.639 30 10 IJEE COc1cc(CN(C)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c(SC)cc1OC 1564945920 ICBCIOWBMFUQNO-IBGZPJMESA-N 425.554 4.516 30 10 IJEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN[C@H](C)C(=O)OC 1565535347 DCXYEWBJSCNEGI-FINRCDCZSA-N 445.600 4.815 30 10 IJEE C=CC1(CC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1568795110 KPIRPSSKBBSJRY-INIZCTEOSA-N 440.506 4.908 30 10 IJEE Cc1csc([C@@](O)(CC(=O)Nc2cc(C(F)(F)F)c(F)cc2C)C(F)(F)F)n1 1569999257 FQGMCTBTZLAMDO-AWEZNQCLSA-N 430.345 4.697 30 10 IJEE N#CCSc1ccccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 1570194733 FRACMRJWUHRSRE-BJKOFHAPSA-N 445.563 4.839 30 10 IJEE Cn1nc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)c2ccccc2c1=O 1584068180 HSNYCCLEUARMKJ-UHFFFAOYSA-N 446.919 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1(C)C 1585019041 AHFHVVYSXGZIBB-QFIPXVFZSA-N 449.551 4.655 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)c1 1586640999 HSOVZKHMBHSKNJ-NZSAHSFTSA-N 444.984 4.640 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCSC2)C1 1587706179 MPJKIMFVDACDGC-MBSDFSHPSA-N 428.577 4.694 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1588238305 QJLPLQMAMJFOSI-UHFFFAOYSA-N 439.003 4.725 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1588288790 LGMICWRAQYPYLS-UHFFFAOYSA-N 449.599 4.534 30 10 IJEE C=CC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[S@@](=O)C(C)(C)C)CC1 1594192269 GRCOKHBAHUMCFH-WJOKGBTCSA-N 440.657 4.698 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1594687674 WJLFOIAMBUNRIV-IBGZPJMESA-N 445.405 4.927 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1cccc(C)c1 1595251581 VEENMIQLGZLVCH-FQEVSTJZSA-N 430.556 4.619 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 1611214176 USDALZCVIJPLMP-SFHVURJKSA-N 429.904 4.773 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccnc(OC2CCCC2)c1 1612256265 BNIIFTJBAIJJER-LJQANCHMSA-N 430.556 4.757 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](CCOC)C2)on1 1613521864 FZKJKAQFBIFYDF-GOSISDBHSA-N 448.571 4.619 30 10 IJEE C#CCSCCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 1618091137 JCEVIBXDXBGJQQ-UHFFFAOYSA-N 430.529 4.827 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)c1 1622954873 XSVYUUCAXBCFGK-UWJYYQICSA-N 445.357 4.991 30 10 IJEE C=CCOC[C@H](NC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12)C(=O)OC 1626205017 TXPXTZIPTMRGKW-RZLWYIEKSA-N 443.628 4.982 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](c3cccc(Br)c3)N3CCCC3)cc2n1 1626676010 NNVHFNKMTAWXPK-OAQYLSRUSA-N 439.357 4.760 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCN(c2ccccc2C#N)CC1 1627980321 LWWZFZXTOXRFCX-ICFOKQHNSA-N 429.442 4.599 30 10 IJEE O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc(C(F)(F)F)c1 1628046650 GXUWOZAAHJLNHN-QGZVFWFLSA-N 434.355 4.868 30 10 IJEE Cc1ccc(-n2cc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)c(C(C)(C)C)n2)cc1 1628894765 AJOOHDNSGVFPSW-XMMPIXPASA-N 441.579 4.501 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC 1636821704 IGMRYQGLKIUXIM-LJQANCHMSA-N 434.319 4.852 30 10 IJEE C=CC[C@@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1ccccc1 1636979417 NMQOCMNAMSAAJO-WOJBJXKFSA-N 425.878 4.994 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 1640066761 XFKSRAZZVDOHBW-KRWDZBQOSA-N 438.549 4.574 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 1640973110 BHTVWAVCRSMFLY-UHFFFAOYSA-N 442.588 4.746 30 10 IJEE CC[C@@H](c1ccc(F)cc1F)N1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1644609441 GBTKTDLHFDGABV-QRQCRPRQSA-N 446.929 4.586 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3ccc(C(C)C)cc3C2)n(Cc2ccco2)c1C 1647237271 AGNVKYUKZRMMNR-UHFFFAOYSA-N 430.552 4.738 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2n[nH]c(C)c2-c2cccc(C)c2)nnc1-c1ccco1 1654077996 UALYNIKCSOIMJN-UHFFFAOYSA-N 448.552 4.852 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc1 1654392454 KNACUGNSFSFHBG-JOCHJYFZSA-N 429.513 4.736 30 10 IJEE C#CCN(C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)[C@@H]1CCCc2ccccc21 1661129422 GOIFYJUPYLEDGA-OAQYLSRUSA-N 441.934 4.860 30 10 IJEE C=CCn1cc2ccc(NC(=O)Nc3cnn(-c4cccc(C#N)c4)c3CCC)cc2n1 1664853374 HHZZPRYIFBNLLA-UHFFFAOYSA-N 425.496 4.876 30 10 IJEE C=CCC[C@H](CO)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1668318837 SVLOGDYYCXHMAO-GOSISDBHSA-N 436.434 4.798 30 10 IJEE C=CC(C)(C)CCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1675393543 KFNOLAIOOUVAEZ-LPHOPBHVSA-N 425.976 4.533 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cnc(OC)c(Br)c1C)c1ccc(F)c(F)c1 1680514452 DUMPKPWHQJYCEP-INIZCTEOSA-N 426.261 4.878 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(C(C)C)C(C)C 1689831544 MOSROKRLNOYKMY-NRFANRHFSA-N 432.616 4.769 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H](F)c1ccc(Br)cc1 1690081260 CAUIIKHZILYAEH-SFHVURJKSA-N 447.377 4.863 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690209192 NOUIKLKYRQNYIN-OXFYSEKESA-N 437.535 4.920 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(COC)CC1 1690237786 AOVXVYXJMIBAEX-PZJWPPBQSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H]1C 1690238212 GVCDHUGGTQQGMB-URFJDIBFSA-N 440.588 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]1C 1690238213 GVCDHUGGTQQGMB-VAWZGJIGSA-N 440.588 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1CCCCC1 1690257640 OWULLQQPPJYXOX-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCCCC2)CC1 1690296831 RCKGZVADWDZHKD-UHFFFAOYSA-N 425.646 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1690428230 JMQQGGGACNNJQL-NRFANRHFSA-N 434.588 4.594 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccccc1 1690445427 XNCXGAQZLLZORO-UNMCSNQZSA-N 431.584 4.628 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccn2C)n1Cc1ccc2c(c1)CCCN2C 1690447463 PUGVUZOUKRMOOC-UHFFFAOYSA-N 432.616 4.897 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690472405 MYNDRGWGWIPBPF-FUHWJXTLSA-N 440.523 4.599 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(OC)ccc1OC(F)F)C1CC1 1690539783 LXHRSWJFIJDLDG-UHFFFAOYSA-N 430.455 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCC(C)C)c2)C1 1690689954 ONQYDOFQCPMKNB-JOCHJYFZSA-N 436.556 4.711 30 10 IJEE CO[C@](C)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1697097143 GHGRZRWABCSPBS-PKKBDPGCSA-N 441.551 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1cccs1)N(C)C 1705479133 IWALYWCTHFXKIW-TZIWHRDSSA-N 433.625 4.570 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1c(C)coc1C 1705545753 MEPGDSWUJAZGNI-UHFFFAOYSA-N 433.737 4.689 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H]1CCO[C@H](C)C1 1705606717 DENOXZKKXWKLDK-OTWHNJEPSA-N 426.630 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](c3nc(C)cs3)C2)nnc1C(C)(C)C 1705707881 UEQRIJXWIXDBAD-QRVBRYPASA-N 429.634 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1Cc1ccc(-n2ccnc2C)nc1 1705718547 PXXVJCAWUMHIAR-UHFFFAOYSA-N 441.583 4.517 30 10 IJEE C=C(C)Cn1c(N2C[C@H]3CCCCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728410 JSUVPJIGZXTIAK-YSTOQKLRSA-N 429.609 4.784 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(C(C)(C)C)CC1 1705732258 TYQZXAUACCMGCH-UHFFFAOYSA-N 425.533 4.629 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(N(C)C)CCCC2)CC1 1705777601 HPWWEXSLNIQKOI-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=CCCCCn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705809341 OKXSUHFNHQGFRG-XMMPIXPASA-N 445.007 4.891 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1CCc1nnc2n1CCCCC2 1705859363 PZTFWUPSKAJISD-FQEVSTJZSA-N 433.604 4.545 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CC1(OC)CCCC1 1705861235 YNCGTKUWYOJXFQ-UHFFFAOYSA-N 447.608 4.954 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@H]1C2)C(C)C 1705867995 ZBKGYXOFSQUAIB-OEMFJLHTSA-N 430.600 4.504 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705877099 VJYXYMLMEDMKDG-OALUTQOASA-N 436.526 4.687 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCOC[C@@H]1C 1705881951 HEWPUEZRPHEPHE-ICSRJNTNSA-N 444.645 4.587 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1711542697 AORNSLGFHDTBFD-NRYAXDJKSA-N 443.567 4.538 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CCC1CC1 1722505937 BLYHHSZGTVQZOE-WZONZLPQSA-N 430.543 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722587068 XZNJODKMVJTKTM-LJQANCHMSA-N 440.617 4.528 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)c1ccccc1 1722593918 CKKDXBZYAXKGIH-BKULYWANSA-N 448.615 4.946 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 1722604648 HQRKJEQTSFWAEP-NRFANRHFSA-N 426.515 4.578 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C(C)C)C1 1722604871 MTNOXDVVYZFYEG-NHCUHLMSSA-N 428.602 4.725 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722635348 WZYURUAKWVSCGY-HOTGVXAUSA-N 441.576 4.809 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@H]1C 1722654874 XUCPCHTXPFHJOU-RBBKRZOGSA-N 431.584 4.901 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC2(CCCCC2)C1 1722688005 CVDHQPUAXZSHBW-UHFFFAOYSA-N 431.378 4.966 30 10 IJEE CC(C)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1723096446 AIQGTFOGZLAQJT-QFIPXVFZSA-N 449.555 4.582 30 10 IJEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1740587637 QKVWNLGTKQGLKN-INIZCTEOSA-N 449.584 4.673 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(C)cc1OCC(F)(F)F 1740673126 IBGJDHRGYFHAHU-UHFFFAOYSA-N 434.506 4.768 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCc1ccc(Cl)s1 1740734438 DZSFIQQQKVVCAX-JOCHJYFZSA-N 444.963 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)CC 1740752777 ASIXYJUAXNTWFC-CJNGLKHVSA-N 425.396 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1740762291 SJCADKRQMXQXFD-UEXGIBASSA-N 448.970 4.582 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2cccc(F)c2[C@H]1C 1740778353 YEAJDHPNTSPHJC-CQSZACIVSA-N 444.352 4.885 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)C1 1740788947 ZWKCNRVSQWOGBA-ICSRJNTNSA-N 430.618 4.569 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1740806960 KFZVJXKWHYNRFG-NRFANRHFSA-N 448.995 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740844669 QFASWHOYVYHSKV-VQTJNVASSA-N 449.599 4.644 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CCN(C)C(=O)OC(C)(C)C 1740921197 NIKOTWMVBXQBTE-UHFFFAOYSA-N 445.583 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCO[C@H]1C 1740925607 PKZWGDVIAGDPBJ-OYHNWAKOSA-N 444.988 4.532 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C)C(C)C 1740926732 JXZORUPMIXAIQH-WXFUMESZSA-N 444.627 4.608 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@](C)(O)c1cccs1 1740936264 NJMBXCYXZDPXSM-DEOSSOPVSA-N 434.565 4.742 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCCC2(F)F)C1 1740983559 KSMFHKLBNZVUSW-FPOVZHCZSA-N 446.542 4.772 30 10 IJEE Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)cs1 1742595864 ANWCQEODIIBNIK-CRAIPNDOSA-N 438.601 4.638 30 10 IJEE C[C@H]1C[C@H](CCn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CCO1 1742947316 CDFWMNDLMWSZTC-VQTJNVASSA-N 433.600 4.946 30 10 IJEE CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745463294 SDHCSQJTXWCWJN-UHFFFAOYSA-N 430.556 4.578 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1748734505 FKLIXMRNKNMGII-KXBFYZLASA-N 429.362 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1ccnc(SCC)c1 1748918566 KDNRGQCRPDSWPM-UHFFFAOYSA-N 428.565 4.508 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(Cl)s1 1749023985 BKJRVGOBHLSDQM-UHFFFAOYSA-N 447.973 4.571 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCSc2c([nH]c3ccccc23)C1 1749038815 XPWIFROCHRKIFH-UHFFFAOYSA-N 439.654 4.827 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1749131512 SVSOPMNMOCZPQD-XXBNENTESA-N 439.560 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)c1cc(OC)cc(OC)c1 1749131988 WWUJRHIVRRYTHQ-VGSWGCGISA-N 428.577 4.633 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H]1CC 1749216576 QLKXMCUKLOJOAO-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1749316355 FVPHETYYZMCKNM-WTGUMLROSA-N 429.609 4.641 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1749345530 LLQMDQLXXPQATE-UHFFFAOYSA-N 449.643 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749357417 POCMJWBXXLIXCG-RTBURBONSA-N 442.604 4.957 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)C(F)(F)F 1749594966 WCEBLLYSEIHEDR-UHFFFAOYSA-N 446.901 4.834 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749638145 ZDLDOKACYRWBPS-GOSISDBHSA-N 444.988 4.551 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C2CC(C(C)(C)C)C2)c1 1760128769 RRPMXPRKIXKACW-UHFFFAOYSA-N 433.600 4.989 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)CCC(C)C 1760228770 RFZDZPPBMBLVFU-XMMPIXPASA-N 428.646 4.922 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1760315177 AZBROMJMLLCWQS-FIKGOQFSSA-N 444.576 4.567 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1 1760348395 PVFYZEDMNNCMEY-UHFFFAOYSA-N 437.009 4.635 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H]1CCSC1 1760352509 YWPCSKCDBUJYIR-FUHWJXTLSA-N 432.659 4.666 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)c1ccccc1 1760417249 ZRJALNSPESMPOF-QFIPXVFZSA-N 435.616 4.743 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760447767 QOKWVFDCQNXTRU-WBVHZDCISA-N 436.398 4.643 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@H]1C 1760478972 YPDWJNARFPXWGI-NZQKXSOJSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CCC)C1 1760480185 NOZJHHDXBRYXLP-QHCPKHFHSA-N 434.632 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1csc(C)c1 1760485400 BCUMTDKITFCFAA-JOCHJYFZSA-N 444.626 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(F)c(F)c1 1760487340 QFRNWEOURQYKEW-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccco2)cc1 1760531131 DNURFCYRACCDKE-LJQANCHMSA-N 429.524 4.667 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CC2CCC(F)(F)CC2)C1 1760546210 KVRSLWYJJDDYLM-LJQANCHMSA-N 434.506 4.615 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2ccco2)C1 1760559857 LNOQEFHHGSJOIG-RBBKRZOGSA-N 438.597 4.910 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)Cc1cccs1 1760690378 CFFQMGQIQDYHBO-RBUKOAKNSA-N 445.596 4.667 30 10 IJEE CCCOc1ccc(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCC(C#N)CC2)cn1 1766286684 FODQSTAYUODBJW-HSZRJFAPSA-N 444.583 4.792 30 10 IJEE O=C1Nc2ccccc2/C1=C1\SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 1772737002 OFIWUKLDLQEWAL-ARHURHGNSA-N 447.516 4.644 30 10 IJEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858846641 PYGYBGYIPLMEOH-QGZVFWFLSA-N 443.507 4.874 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Br 1862453138 SITNUJWWSGRWNA-KRWDZBQOSA-N 432.701 4.867 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478164 ADSJSSJIGTVXKK-NRFANRHFSA-N 448.500 4.786 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(F)c2)cc1 1862590274 FOOFSAYVWOTIRG-NPMXOYFQSA-N 447.462 4.879 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591111 DCQYILAXZIHIFL-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862597253 XQTPNXVMOHHGPX-XMMPIXPASA-N 438.483 4.960 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 1862675513 MXZFYUUCWOECND-HXUWFJFHSA-N 431.891 4.873 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1 1863180078 UDUHEHFWHNDCJO-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2ccc(F)cc2F)C1=O 1863656967 DAVXZJKKWHLXQD-UHFFFAOYSA-N 430.454 4.610 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@@H]1c1ccccc1C 1865658664 IRIOVNVJGSNRJV-QFIPXVFZSA-N 448.611 4.695 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866699538 FVLDWDFENRJBTJ-JWQCQUIFSA-N 440.547 4.593 30 10 IJEE CCOc1cn(Cc2ccc(F)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870237013 JVSREDAMWTYGER-UHFFFAOYSA-N 437.540 4.919 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(CC)cccc2CC)c(=O)cc1CNc1ccccc1 1871163884 HVMFFSXPDMZQCL-UHFFFAOYSA-N 445.563 4.789 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1OC 1871374747 XUUADHCLYIDDKC-KSEXSDGBSA-N 448.446 4.916 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871432919 RQQGTICBQUZOOL-MSXFZWOLSA-N 445.446 4.970 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4nccs4)ccc3C2=O)cc1 1871442424 MAOLXJXZFQMLKK-BKUYFWCQSA-N 449.532 4.623 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCN(C)CC2)n1 1871566712 DFYDBCQCUBCOLA-UHFFFAOYSA-N 446.043 4.523 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccccc1 1872526372 ALIJJVTXJPZZRW-HSZRJFAPSA-N 428.598 4.924 30 10 IJEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872767942 FLRZHZDJFXIOFE-KRWDZBQOSA-N 438.505 4.725 30 10 IJEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)/C=C\c2ccc3c(c2)OCCO3)n1 1872771176 NSOPTVGUJVJKHK-WLPBJKJWSA-N 432.501 4.788 30 10 IJEE C=CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N(CC)CCCC)ncnc21 1873591373 HUUDXJDSPDAWDN-UHFFFAOYSA-N 425.964 4.827 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCCCn3ccnc3)ncnc21 1873640547 ZDTQEZCYQDODTK-UHFFFAOYSA-N 449.946 4.530 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2/N=C/c2c(F)cccc2Cl)cc1OC 1874197706 XVGKQRXUTSJNFP-ZMOGYAJESA-N 448.951 4.867 30 10 IJEE COc1cccc(/C=N/n2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)c1O 1874201563 ILWRYHFSEBLMDJ-ZMOGYAJESA-N 440.569 4.781 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccnc1 1874216580 WTLSBVGOTIYBED-ZVHZXABRSA-N 427.961 4.889 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874266834 QVARZYDGGIEPRE-SSDVNMTOSA-N 443.916 4.969 30 10 IJEE CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874369683 MGXDEUWNFITOOJ-LFVJCYFKSA-N 448.573 4.948 30 10 IJEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1F 1874398171 VWTQINCAXKFFSX-VSRRSJTHSA-N 444.507 4.636 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2ccco2)c1 1874415777 HJKBGXYHYKMYOM-MFKUBSTISA-N 445.548 4.692 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2C)c1 1874459596 VMILOFGYDAJCRJ-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(SCC(=O)OC)nnc2C(C)C)cc1OC 1874514196 MNIZROGLIIGBTI-OEAKJJBVSA-N 448.589 4.517 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OCC(N)=O 1874627218 MQRDQCIQRCPJDF-BQYQJAHWSA-N 445.943 4.939 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OCC(=O)OC 1874636346 WTFPUNXRZDEGTK-VQHVLOKHSA-N 430.884 4.534 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCSC)c2)c1 1874706571 OUCBQNANHJWIQD-JXMROGBWSA-N 430.522 4.657 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OC)c2)cc1F 1874706945 HRXZKTFJZHTMLG-ZRDIBKRKSA-N 436.435 4.723 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)c1cnccn1 1875148242 IJXWXAOXWVQKOX-IZZDOVSWSA-N 446.503 4.907 30 10 IJEE COc1ccc(NC(=O)CCc2cc(Br)ccc2OC(F)F)cc1C#N 1890146915 FJVFOLQXQPDMSQ-UHFFFAOYSA-N 425.229 4.502 30 10 IJEE COc1ccccc1OCC#CCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 1891794599 CZZYHQRIMFZVJA-UHFFFAOYSA-N 440.474 4.862 30 10 IJEE CC(C)(C)OC(=O)c1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1N 2079163475 LENDALPAWCTWFI-UHFFFAOYSA-N 427.320 4.646 30 10 IJEE Cc1nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(I)c1C#N 2079933077 GKNXYULQLOPIKK-AWEZNQCLSA-N 449.189 4.825 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNc2cc(Br)cc(F)c2C#N)C1 2115601195 DRZVGDDHKFAUFG-MXXVBZNESA-N 430.293 4.515 30 10 IJEE CCN(CC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2118191302 DJKNNRYBGNCYLK-UHFFFAOYSA-N 428.346 4.837 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2174562805 PFIRIODOUAAZCU-LJQANCHMSA-N 436.394 4.932 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2ccc(C#N)cc2Br)c1 2181148455 UCNWVUWKCXUQOU-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CNc1ccc(C#N)c(Br)c1F)C2 2182506416 SOHZYBZTKLYTCL-NOLJZWGESA-N 438.341 4.907 30 10 IJEE CCCc1ccc(C#C[C@@H](O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223350873 UZFSZGKKLWORDX-LOSJGSFVSA-N 437.580 4.852 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C1CC(CNC(=O)OC(C)(C)C)C1 2235719731 NZONTFFOOLJPJS-OUNSHVDWSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2ccccc2Br)CC2(CCCC2)C1 2235740504 PEVQHRGAMXBPCQ-GOSISDBHSA-N 434.374 4.779 30 10 IJEE C#CC[C@H](C[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237415939 IDHCZAYONLUGCU-YZGWKJHDSA-N 435.406 4.652 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@H](N)C#Cc1cccc(Br)c1)Cc1ccccc1 2242572196 UAWFCRFODMFYCG-OAQYLSRUSA-N 443.385 4.955 30 10 IJEE N#CC1(Nc2cccc(Br)c2)CCC(NC(=O)OCc2ccccc2)CC1 2250001434 WLAUYMZVPDHZFT-UHFFFAOYSA-N 428.330 4.992 30 10 IJEE CC1(C)OB(C2(C(=O)N3CC[C@H]4[C@H](CCCN4Cc4ccccc4)C3)CCC2)OC1(C)C 2267460827 NBRSTNJHUABAKC-YADHBBJMSA-N 438.421 4.516 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1snc(C)c1NC(=O)OC(C)(C)C 2278801375 OIFORPQRKWOGKD-OAHLLOKOSA-N 436.375 4.873 30 10 IJEE CC1(C)OB(c2cc(Nc3ccc(Br)c(Cl)c3F)ccc2N)OC1(C)C 2282995159 PAVWVBNXNHSWKG-UHFFFAOYSA-N 441.537 4.867 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC=CCN1C(=O)OC(C)(C)C 2296219759 RGFBMBYKEILVTO-WOJBJXKFSA-N 433.390 4.734 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 2296220166 VNCUJXAADUAHPO-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296221043 FDOFKNHTNPPBJN-RBUKOAKNSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC[C@@H](N)C#Cc2cccc(Br)c2)CC1 2296280239 YDPAWWLLMQQBJS-NQKNOSNGSA-N 435.406 4.992 30 10 IJEE CCCOc1cccc([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 2296580471 VEMGJBFFOOHGIA-OAQYLSRUSA-N 436.439 4.537 30 10 IJEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3c(F)cccc3F)S2(=O)=O)cc1 2297334910 BTAGBIBFHANQFQ-UHFFFAOYSA-N 440.471 4.759 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CCC 2305315807 GTFBANLQDATLTD-BWKNWUBXSA-N 430.589 4.945 30 10 IJEE CCOc1cc(C=Nn2cnnc2SCc2ccccc2C)cc(Br)c1O 2321239196 XLYGDVCKOGDCDX-UHFFFAOYSA-N 447.358 4.628 30 10 IJEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(OC)c(F)c3)cccc2OC)o1 2322711404 SGYBPZZTZUFHQV-UHFFFAOYSA-N 440.423 4.698 30 10 IJEE CCCCCCCCCOc1ccc(C=NNc2cnnc(O)n2)cc1Br 2323118352 GWRGCRIBUCUMIQ-UHFFFAOYSA-N 436.354 4.915 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2COc2ccccc2)cc(Cl)c1OC(C)C 2323557589 FAOKHOPYEKCPMM-UHFFFAOYSA-N 446.960 4.867 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2325589659 GFRPUGMTQNZYTP-UHFFFAOYSA-N 426.881 4.739 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325731443 RMXBDHRBKQCSSU-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2325739572 ZQIGKIXZQUTWJF-UHFFFAOYSA-N 446.478 4.834 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1cccc([N+](=O)[O-])c1 2325901308 OXWFHILPSDVQQW-UHFFFAOYSA-N 439.541 4.975 30 10 IJEE CCOc1ccc2ccccc2c1C=Nn1cnnc1SCc1ccc([N+](=O)[O-])cc1 2326809791 KLPKQIXCKUMGRY-UHFFFAOYSA-N 433.493 4.913 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc[nH]1 2327785484 CWIXRUKHHYMAKV-UHFFFAOYSA-N 447.564 4.524 30 10 IJEE OCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1Cl 2329143596 QFAPZWHKKRKORO-UHFFFAOYSA-N 441.771 4.796 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCCCO)nnc2C2CCCC2)cc1OCC 2331089747 KYJWABQSNVWVAY-UHFFFAOYSA-N 446.617 4.870 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1OC 2331183600 MFVJNHDVJMDPSK-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2OC)cc1 2331293437 LEKMKLAFUOTKRW-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Br 2331320387 HMUQWNYBRUHBKA-UHFFFAOYSA-N 447.325 4.530 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331434759 WOFNPWMIZLYHAN-UHFFFAOYSA-N 438.382 4.574 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(c3ccc(C#N)c(Br)c3F)C[C@@H]21 2361348724 XQAIMZIOHCRYRM-CJNGLKHVSA-N 438.341 4.686 30 10 IJEE C=C1CC(C[C@@H](NCCC)[C@H](O)c2sc(Cl)cc2I)C1 2366647786 KCRQNLDMKOCHOX-OCCSQVGLSA-N 425.763 4.764 30 10 IJEE Cc1cc(CNCC[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369694638 SRCKYELXSYBOLH-RCZVLFRGSA-N 448.460 4.542 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2Cc3ccccc3S2)n(C2CCCCC2)c1C 10910001 IBNMJXHIUNDWKR-OAQYLSRUSA-N 437.565 4.681 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O)c(OCC)c2)cc1 20881496 QGRVMZDXZRAEHS-AZUAARDMSA-N 435.520 4.584 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccco1 21355906 ZTZGKADJJBQRFH-MWTRTKDXSA-N 435.524 4.785 30 10 IJEE C=CCn1c(-c2sc(NC(=O)CSc3ccc4c(c3)CCC4)nc2C)n[nH]c1=S 25575796 QOSFZVMONVFLBM-UHFFFAOYSA-N 443.623 4.778 30 10 IJEE CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 26195579 IAGYNZKUEWHEED-JXORXQGFSA-N 428.558 4.547 30 10 IJEE O=C(/C=C\N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(OC(F)F)cc1 35679276 XSQFXDLVAXACFK-HJWRWDBZSA-N 440.412 4.821 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)CC(C)C 36120246 BWLRRBDTXKFGED-QFIPXVFZSA-N 440.609 4.622 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OCC)c1 40076796 VVPPFSPDBVBMQM-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 41501886 IUJIOWBYTVUOKX-UCQKPKSFSA-N 430.456 4.985 30 10 IJEE C=CCn1c(CCc2ccc(I)cc2)nnc1SC1CCCC1 59265408 FEVCBOAETWUEKM-UHFFFAOYSA-N 439.366 4.889 30 10 IJEE COc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)c(Cl)c3)S2)c1 100372852 ALWHOFFBBNBNDW-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccc(F)cc2)no1 109550560 IEWCBDRZXAVEDB-MRXNPFEDSA-N 442.450 4.817 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 169930866 PTNBPNQGOMZWHK-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccccn2)c1 169994042 KZANZGZUIBAVCN-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)c1 170093558 KRCNTMFTYZBWFB-IBGZPJMESA-N 437.835 4.503 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1cccc(C)c1 170139746 UNBKELDTACSSBX-QFIPXVFZSA-N 437.536 4.624 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170150231 AKSNCPKBUHUQDA-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1cccs1 170161176 SRSSJIKONONGLK-OAQYLSRUSA-N 430.485 4.720 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1OC 170163797 AYVWBJJSHFGYGO-FQEVSTJZSA-N 427.522 4.676 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)ccc1Cl 170174164 SXFQSXNKQPIXOR-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccncc1 170211741 VCXSFLWZMYHYBJ-LJQANCHMSA-N 449.334 4.782 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)c1 170224530 AWNUZZBDWSCKOZ-QHCPKHFHSA-N 429.472 4.962 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2F)c1 170248511 XGYQBJQMMLPLFK-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F 170249687 MUFJVNILONRUKK-NRFANRHFSA-N 432.407 4.825 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)cc1C 170275189 ZCNWOBCKDQIIJZ-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)c1 170279160 UZBLKGBMNUXATD-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccco2)cc1Br 170295919 ZGPLPDFRNNBVOV-GOSISDBHSA-N 446.297 4.572 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2sccc2C)c1 170314499 GBXGZBXYISMRCV-HXUWFJFHSA-N 435.501 4.944 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 254346172 BARPMBZSDKCAHV-OAHLLOKOSA-N 426.300 4.723 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)ccc(Br)c1F 407400180 JKNIUEUGRAUQLE-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)[C@H]2C 439944177 SFNXORIQMQLFJN-MSOLQXFVSA-N 428.540 4.788 30 10 IJEE N#CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 482646102 YYJLWBFCUWATKA-UHFFFAOYSA-N 432.377 4.824 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1ncc(-c2ccc(OC)cc2)o1 489663156 VKARUSNSPBIUIE-UHFFFAOYSA-N 434.521 4.999 30 10 IJEE N#Cc1ccc([C@H](Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)C(N)=O)cc1 507828749 VWFPKCJTIJEBBY-NRFANRHFSA-N 429.867 4.586 30 10 IJEE CCn1c(SCC(=O)N2CCC(C)(C#N)CC2)nnc1-c1ccc(Cl)cc1Cl 507840370 HPMPJUWPXZKPDC-UHFFFAOYSA-N 438.384 4.516 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccncc2)c1OC 526522368 QEGLRJVNCUCSRT-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2nccs2)C1 549270672 JGCPMGRBFYHPGZ-QUCCMNQESA-N 439.585 4.645 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 555268953 LKAKWRWAMSCZFK-MHZLTWQESA-N 439.563 4.883 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)Cc3cccs3)C2)c1 585997712 QGSHTXBUJIOBKW-HXUWFJFHSA-N 425.598 4.549 30 10 IJEE C=CCCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(OCC)cc1 586146513 AATZOMMYSQQPOW-UHFFFAOYSA-N 447.597 4.692 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)Cc1ccccc1F 586155045 KKSOUZAAYISHAK-UHFFFAOYSA-N 444.915 4.750 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)c1cccc(Br)c1 586258719 VYQIWFBSGOETDQ-UHFFFAOYSA-N 443.750 4.610 30 10 IJEE CC(=O)N1CCCCC[C@H]1C1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 587974288 JGRILORYSGCVMY-IBGZPJMESA-N 438.797 4.982 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(c3cccc(C(F)(F)F)c3)[C@H](C)C3CC3)cc2C1=O 614682917 PYGKPKNIWULVBZ-CQSZACIVSA-N 442.437 4.933 30 10 IJEE N#Cc1cc(F)ccc1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687733644 BLYKBJZBYAUMDR-QHCPKHFHSA-N 430.435 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 698960577 GWRSQHQSBCXSDA-KKSFZXQISA-N 436.557 4.996 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727895921 JOMAKTOOCZUXEZ-OAHLLOKOSA-N 449.482 4.652 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(C)C)c1 742214147 VOZBHIWYNHWNGT-QFIPXVFZSA-N 449.576 4.889 30 10 IJEE COc1ccc(CNC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1C#N 746867406 HBYGZNPYUDYRTQ-UHFFFAOYSA-N 431.521 4.551 30 10 IJEE Cc1cc(-c2nnc(CN(Cc3ccc(C#N)cc3)c3ccc4nc(O)[nH]c4c3)o2)c(C)o1 760861245 BUVHWUZAYAYKIQ-UHFFFAOYSA-N 440.463 4.607 30 10 IJEE N#Cc1ccccc1/C=C\C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 771666934 NPXXDRBZMNIWNO-XWDDPXMASA-N 448.469 4.935 30 10 IJEE C#C[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 774271871 KDWVWZKGMNAKAC-YJYMSZOUSA-N 443.931 4.770 30 10 IJEE C=CC[C@]1(C(=O)OCc2nnc(-c3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 791716278 LDLHBEGQMOUARL-JOCHJYFZSA-N 429.542 4.594 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OC 864015569 HDKXUYYLSGSBPC-UHFFFAOYSA-N 438.977 4.602 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 875168306 UBDBGIJDDJSVLK-HNNXBMFYSA-N 448.610 4.863 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc([C@@H]3C[C@@H]3C)no2)ccc1Cl 904815237 CMBBRJMYINNLHS-WMLDXEAASA-N 429.929 4.895 30 10 IJEE COc1ccc(Br)cc1C=NNc1ccc(I)cc1 1083961557 FFNDTJLGUNKADV-UHFFFAOYSA-N 431.071 4.508 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccc(Br)cc3C#N)ccc21 1125777950 GWKUNXGPQDTFHX-UHFFFAOYSA-N 442.313 4.871 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3sc(Br)cc3C2)cc1OC 1131269352 FMJJPICKWIHKRU-FNORWQNLSA-N 434.355 4.682 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)NCCc3cccc(-c4ccccc4)c3)CC2)c(F)c1 1131603608 AVAWZTGZUAFIOY-UHFFFAOYSA-N 427.523 4.940 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccccc1 1140598457 SLBQWWHMPWNMSW-KCWPFWIISA-N 445.563 4.668 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(C)C)c2ccc(Cl)cc2)cc1 1141869127 VOPYHLCOFHKJRD-NRFANRHFSA-N 434.989 4.712 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(Cc2cccc(Cl)c2Br)CC1 1167298170 GWCQCNFFLUNDRK-UHFFFAOYSA-N 441.760 4.845 30 10 IJEE C=CCc1cc(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2)cc(OC)c1OC 1177753874 UYFUGVIMDZEPNS-UHFFFAOYSA-N 426.557 4.747 30 10 IJEE C#CCOc1ccccc1NC(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C 1203534785 ZCAGYHPGLHLRHG-HXUWFJFHSA-N 449.551 4.967 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 1204046140 TYYDVMWQVAIYIO-SFHVURJKSA-N 431.374 4.849 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccc(Oc4cccc(OC)c4)nc3)cc2n1 1209581997 KPOXSLQFSOIVLI-UHFFFAOYSA-N 429.480 4.740 30 10 IJEE COc1cccc([C@@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)c2ccccc2Cl)c1 1209802824 HVVFHGPBFKAIPZ-JOCHJYFZSA-N 426.925 4.597 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 1216891740 RIOZQIDZSISJOG-JOCHJYFZSA-N 429.358 4.609 30 10 IJEE Cc1cccc(-c2cccc(CNC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c2)c1 1226199695 FLRHFVHQLZGBBV-UHFFFAOYSA-N 438.575 4.998 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 1227448025 AEUUFPNZNSKTND-RCCFBDPRSA-N 448.158 4.741 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1 1264686713 SIMCTMNJQHYDNF-XMMPIXPASA-N 432.520 4.738 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](CC)c2ccc(Br)cc2)ccc1OC 1265124839 BFQYWNAJMZKHPV-RBUKOAKNSA-N 445.357 4.949 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2cc(F)ccc2N2CCOCC2)cc1 1272668518 CHXYHGWENQMMPM-UHFFFAOYSA-N 433.508 4.937 30 10 IJEE Cc1sc2ncnc(N3CCC(C(=O)N(C)[C@@H](C)c4cccc(C#N)c4)CC3)c2c1C 1276788040 GAQGSGZUQZTFAQ-INIZCTEOSA-N 433.581 4.616 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCC[C@H](C)C1 1286272231 AKNXSQPKWYDYAP-OALUTQOASA-N 445.558 4.517 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1286322792 DAKPXKVVYQLVGH-FQEVSTJZSA-N 446.599 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)C1CCCC1 1286424047 SZNNUCGQYWXUIC-UHFFFAOYSA-N 431.628 4.580 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286533283 GDOONZYMQOFESJ-HZPDHXFCSA-N 444.377 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286668138 PANOSSFYZNYMNW-GOSISDBHSA-N 427.593 4.580 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cccs2)CC1 1286704343 QNSVTNUHFACAJK-UHFFFAOYSA-N 437.613 4.828 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CC[C@@](C)(CC)O1 1286753217 XTJKYQYOCRWRIH-CJFMBICVSA-N 432.572 4.861 30 10 IJEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C(C)C)CCS1 1287298378 AVUMKQUNAFIYOY-PWRODBHTSA-N 425.602 4.524 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3C)cc2n1 1289217913 QOSCVYIYMUFQAS-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCCN(c2ccccc2C#N)CC1 1292791634 CAMOMTWPRZXQDC-UHFFFAOYSA-N 440.385 4.628 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1300742628 PSROANDYAQHBNA-GHTZIAJQSA-N 426.630 4.613 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1300769664 HWVRNLRNWOMJAK-SFTDATJTSA-N 438.641 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1300868784 HMWLIUCVHAYUBQ-CIWUYKSXSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](c3ccc(CC)cc3)C2)nnc1C(C)(C)C 1300895299 OPTWNJONJRWWNL-ZLNRFVROSA-N 438.616 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCSC1(C)C 1300925603 YHYAWRRWWNYJHH-GOSISDBHSA-N 430.618 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCN(C)C(C)C)CC1 1301075621 LNUNNCPJJSTGKY-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CC)c2ccccc2)CC1 1301109483 JPXHMCQCVGYFSF-GJZUVCINSA-N 438.616 4.915 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCCCN2CCCCC2)CC1 1301129212 NCQKPDJREDKXDJ-UHFFFAOYSA-N 442.677 4.692 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301177915 AGUROIQNSFMULN-IUKKYPGJSA-N 430.980 4.728 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)CC1 1301221615 LYXLMEYDGJGSHD-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC2(CCCC2)C1 1301261089 BGZPARYRIAXLDM-NHCUHLMSSA-N 430.637 4.950 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1C1CCCCC1 1301394490 ORTCKUWBEZTOSJ-QFIPXVFZSA-N 440.661 4.609 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2nc3cc(Cl)ccc3s2)C1 1301538080 FIZMJTOOCLZIAQ-HOCLYGCPSA-N 431.993 4.884 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1301602281 NWRYATAFURJHMM-SXLOBPIMSA-N 442.629 4.896 30 10 IJEE C[C@H]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1304999102 GZYYREOEKRWFMV-GOEBONIOSA-N 431.382 4.602 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@]2(c3ccccc3)CC2(C)C)cc1 1307960997 CAOPCGNPJGMECA-HHHXNRCGSA-N 442.563 4.828 30 10 IJEE C=CCC[C@H](NS(=O)(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(C(F)(F)F)cc1 1309334104 IJFKASAWRKVWSA-JYJNAYRXSA-N 445.425 4.742 30 10 IJEE C=C(C)CN1CCC(NC(=O)N(C)C[C@H](CC)Oc2ccc(Cl)c(Cl)c2)CC1 1311891423 LYVVTTNAZKRGRS-KRWDZBQOSA-N 428.404 4.833 30 10 IJEE C=CCC[C@H](NC(=O)N(CC)[C@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1 1312342411 NXFLNDYNGHMAHB-QAPCUYQASA-N 434.524 4.567 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1312732171 FFAABWTXURHJBK-PMACEKPBSA-N 436.506 4.630 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21 1313193682 AZJCASARRUYJDS-NJDAHSKKSA-N 443.389 4.653 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)N(C)C 1314821924 ALESSLGDPAFUAZ-GOSISDBHSA-N 448.518 4.570 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 1356379542 HIRNITIMFHNWOL-UHFFFAOYSA-N 425.466 4.852 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)c1 1358019365 XEEUQKXSYAQQRB-QHCPKHFHSA-N 434.948 4.910 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCOC1CCCCCC1 1358874766 CPCLZPAFFMQREC-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(CC)s1 1358878373 VOSHXCDPIBQFGP-LBPRGKRZSA-N 435.416 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C)C1CCCCC1 1358878714 CFVKRTNEVWPWTA-KRWDZBQOSA-N 431.987 4.850 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358878735 CNLCHYJMNPWVRF-IAGOWNOFSA-N 445.995 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1358879187 MLRHSTJORZXIMS-PXNSSMCTSA-N 440.016 4.955 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC=C(C(F)(F)F)CC1 1358927706 HHVXTRZKGYLTDQ-UHFFFAOYSA-N 427.430 4.712 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(C)OCCc2sccc21 1359001489 WATKHBWUEZWQKH-CPJSRVTESA-N 434.609 4.829 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1Cc1cccc(C(F)(F)F)n1 1359072717 OLLSXKQDSNRSDW-HSZRJFAPSA-N 439.485 4.518 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1359101663 QTYOGXGRAJHHKZ-HTAPYJJXSA-N 430.980 4.510 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC(C)=C(C)C1 1359129838 PAFBQRARSCRUHL-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2CN(C)C(C)C)CC1 1359178287 OAJUHYRXSJSCPW-XMMPIXPASA-N 437.632 4.811 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnn(C)c1 1359183843 WAQPJXAOXYKYQG-KRWDZBQOSA-N 426.540 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CC(F)(F)F 1359184529 RNMTVNPYXKHSSM-UHFFFAOYSA-N 442.482 4.572 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H](C)CC#N 1359199311 RHGIHXCQOBGJDE-HNNXBMFYSA-N 432.366 4.811 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 1359221829 OSEKFNQLLMMCLD-NHCUHLMSSA-N 431.669 4.721 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1noc(CC)n1)C1CC1 1359248383 LLFDPUOTVONGMZ-UHFFFAOYSA-N 433.343 4.595 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1359259735 GLMYDBFIRJCBHI-DYESRHJHSA-N 443.567 4.564 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1359343446 TUOZOCZDVWBKSM-OAQYLSRUSA-N 433.710 4.878 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 1443206882 SKDHCCYHQXVBMG-RTWAWAEBSA-N 438.572 4.997 30 10 IJEE O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H](O)c1cccc(C(F)(F)F)c1 1448451571 FWFVSRHKQJUWON-KGLIPLIRSA-N 429.719 4.951 30 10 IJEE CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1457570759 HPZZHOCSZWDRLH-HSZRJFAPSA-N 441.579 4.951 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Br)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1458095347 ZQMHMWJHZITDSK-LJQANCHMSA-N 441.753 4.834 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)[C@H](CO)CC(C)(C)C)c2C#N)C1 1460103552 DKXPYNNLYCYHPP-SJORKVTESA-N 433.662 4.828 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 1460780462 HDKOCPMEQSFCBT-GUYCJALGSA-N 429.314 4.861 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)c1ccc(Br)cc1 1460789195 RSZGWSAYFGBUGO-IBGZPJMESA-N 428.326 4.883 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 1463792668 AJZCQSRCFJCWEW-XMMPIXPASA-N 445.950 4.942 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)CCCN1C(=O)OC(C)(C)C 1465639487 UWQHIRYSKAEHFD-SXOMAYOGSA-N 436.596 4.676 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1469518523 FHPKGWODJOAWDZ-KRWDZBQOSA-N 434.337 4.787 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(Br)nc1 1476255360 NUNYNTIVPUVYDM-UHFFFAOYSA-N 443.114 4.966 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 1476482823 GFKOMPQBSFLLLR-UHFFFAOYSA-N 434.536 4.865 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCCC2)C[C@H](C(F)(F)F)O1 1494235435 GVDIMHVERZNXAY-CRAIPNDOSA-N 433.478 4.553 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@](C)(C#N)C1 1501280197 GSENLQYLYHCJCI-AREMUKBSSA-N 444.583 4.870 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1ncc(C)s1 1507521537 AAVGNUNPBDHQDN-KBPBESRZSA-N 444.402 4.734 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCOC1CCCCCC1 1507663413 ZFRPFTTWIJOXMG-UHFFFAOYSA-N 430.552 4.894 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC2(CCC2)C1 1507747398 HEQLNHOTGXGPES-UHFFFAOYSA-N 437.432 4.516 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C1CC1 1507783209 CSSDFGMXLOQXAN-SFHVURJKSA-N 435.341 4.736 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)c1ccccc1 1507923852 DQFDXIKCCGWWQS-QHCPKHFHSA-N 435.616 4.612 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1507935903 WDOGVWXYDWSBOQ-UGKGYDQZSA-N 440.588 4.931 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1cccs1 1507941333 CZXMGICFHDKJNS-LJQANCHMSA-N 442.610 4.718 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](C(=O)OC)C1 1507943691 FVRDSHHJACDWRL-QGZVFWFLSA-N 440.544 4.778 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)cc1OC 1507971858 CVZHQMAAMHXJRO-MRXNPFEDSA-N 438.597 4.819 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1508019317 FSEHRIVHQKUFMI-CJFMBICVSA-N 425.596 4.697 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1508109236 PQEFVTSIWONCSM-XXBNENTESA-N 448.615 4.768 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2CCC(OC)CC2)C1 1508118353 VFTPBYJVVLLCTI-UDJZJCJKSA-N 445.007 4.975 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1Br 1508577091 IDTFCOJCWJCDDA-OAQYLSRUSA-N 430.394 4.808 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)NCC3(c4ccc(Cl)cc4Cl)CCC3)n2)c1 1519371223 CWLMKEZOOCPJDR-UHFFFAOYSA-N 425.319 4.902 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccccc3OCc3ccc(F)cc3)CC2)c(Cl)c1 1524847671 BABGFFGJPQWRBU-UHFFFAOYSA-N 449.913 4.892 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)cc1OC 1525005141 DSJNHBHZVVSWEN-RAXLEYEMSA-N 434.536 4.846 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 1527023338 CFNDOOHKZNCNMZ-UHFFFAOYSA-N 436.277 4.572 30 10 IJEE N#Cc1c(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)ncc2c1COCC2 1529422429 CKVORYCWWJTSSD-UHFFFAOYSA-N 445.422 4.905 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnn1CC(C)C)c1ccc2c(c1)OCCO2 1530677514 FLQYLGCTIBVEHX-UHFFFAOYSA-N 447.535 4.722 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Br)cc2CC)CCCN1C(=O)OC(C)(C)C 1534485777 RWLUNAWZGGKBEG-OAQYLSRUSA-N 435.362 4.743 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1534589383 WWMSXIGFHQOJIX-UHFFFAOYSA-N 441.019 4.779 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)CCCN1C(=O)OC(C)(C)C 1537233589 JRDQMEFYOHURBA-BTCOZLQPSA-N 436.980 4.878 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](SC)C(C)(C)C 1538971949 GCKQFHLKEGSBFN-WMLDXEAASA-N 435.435 4.943 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)C(C)(C)C1 1539119499 JXXWWRGCXCAFLW-IBGZPJMESA-N 443.636 4.678 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 1539142532 SGOZPWSPJPBPGH-YADHBBJMSA-N 449.599 4.757 30 10 IJEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1539268734 ZARIJBDXRCRPFB-UHFFFAOYSA-N 449.599 4.529 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1539519186 DTQJCNVHHXYFBP-GOSISDBHSA-N 443.686 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1539559134 VZGXKZARCBVVOH-CJFMBICVSA-N 443.636 4.648 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1539595090 ADWGBHJSSTVMDT-VQIMIIECSA-N 449.393 4.504 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1539786200 KDMOTMSUTGUXFQ-DLBZAZTESA-N 436.387 4.920 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1539894131 AOZIEKYXQSJECD-CYFREDJKSA-N 427.662 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCc1ccccc1 1539918181 KGKIKXHQZVVWQR-UHFFFAOYSA-N 435.572 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1539924308 SEIRMBZSKNQRQT-HSZRJFAPSA-N 431.584 4.753 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(c2nc(C)c(C)s2)CC1)c1ccccc1 1539947046 HLMWAMZTUXJNAK-NRFANRHFSA-N 436.629 4.600 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)CC1 1539960522 CSXWHCHAMKXREQ-LJQANCHMSA-N 434.588 4.658 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1539968611 XXUIQFYVHXOZAM-UHFFFAOYSA-N 442.514 4.579 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@]1(C)CCCS1 1540180920 ZBOLJLBDXUMOMI-RUZDIDTESA-N 433.625 4.785 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CCCN1C(=O)OC(C)(C)C 1542203580 MMJNPPLGHQYHNZ-GAJHUEQPSA-N 448.633 4.659 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 1543023060 ADVOAMZWLIFDPU-FXAWDEMLSA-N 444.572 4.501 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)nc2cc(Cl)ccc2c1=O 1559312200 ZNLQOPVEMDOEED-GOSISDBHSA-N 446.359 4.787 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2COc2ccc(F)cc2)cc1 1562264940 KBVIPHVXLZUSKX-QFIPXVFZSA-N 437.515 4.715 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)cc1 1562265106 RBQWBAVGFQLYQU-XMMPIXPASA-N 447.579 4.916 30 10 IJEE C#CC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccccc1 1562405297 SOXJSBQNQIENBW-HSZRJFAPSA-N 439.581 4.526 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)NCc1ccc(C#N)c(Cl)c1)C1CCCCCC1 1564356826 BSGKOCUFWMJQOJ-UHFFFAOYSA-N 448.995 4.971 30 10 IJEE CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)CCCC(=O)Nc1ccccc1C#N 1566059751 DGOYBFMUPOXDJV-GOSISDBHSA-N 431.458 4.823 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(OC)c(I)n1)c1ccccc1 1583543146 JETOBPVZLOPIDM-OAHLLOKOSA-N 436.293 4.522 30 10 IJEE C#C[C@@H](NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1)c1ccc(Cl)cc1F 1583585018 JEUXWDSBFZFWHR-LJQANCHMSA-N 428.916 4.953 30 10 IJEE C#CCOc1ccc(COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 1584643864 BHWYAGLHWMWKRG-DEOSSOPVSA-N 447.918 4.957 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)c1sccc1C 1586012353 NBVZNQUIFFVPPQ-WOJBJXKFSA-N 426.582 4.763 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1587575649 ZJOGXHJZXBDFMS-APWZRJJASA-N 445.995 4.606 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1587818530 YVCCHGVLOTUCFX-UHFFFAOYSA-N 436.991 4.742 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCN(CC(C)C)C1 1588271479 JVTMSPWIGIBYFF-HSZRJFAPSA-N 433.644 4.576 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cn(CCCCC)nc2C)CC1 1594102324 JBYHXTUMLDCSBB-UHFFFAOYSA-N 436.579 4.908 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC[C@H]2CCCCO2)CC1 1594408091 DGZJMCWPFKXCFC-XMMPIXPASA-N 438.616 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCS(=O)CC1 1594453971 ANCZEMLYFYSYOL-UHFFFAOYSA-N 449.045 4.984 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCN(CCC)C1 1594998197 ZKOKZGQLRCIXPP-FQEVSTJZSA-N 425.621 4.509 30 10 IJEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)s1 1612429971 HVCHMPQHLLWOAN-UHFFFAOYSA-N 443.580 4.591 30 10 IJEE Cc1ccc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(Br)c1 1613533147 CSRXDJJFKKRMEF-UHFFFAOYSA-N 432.115 4.755 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc21 1616146827 NXIXPDWUORZTMK-UHFFFAOYSA-N 432.524 4.768 30 10 IJEE C#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1 1616350601 ZHNXCDQMIIHCEG-HXUWFJFHSA-N 426.969 4.773 30 10 IJEE C=CCC1(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)CCOCC1 1616934064 USMHKQKPFCZQCT-UHFFFAOYSA-N 443.341 4.557 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1OC 1617065719 KQVQZCRGLPDOFJ-ZZLBYYGFSA-N 448.485 4.711 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)CC1 1623122003 CYFHRALXNONTQV-UHFFFAOYSA-N 426.357 4.581 30 10 IJEE CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1624973167 CRUCLKSMWWWVHZ-UHFFFAOYSA-N 447.438 4.730 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cnc(-c2ccc(Br)s2)nc1 1625862029 JRPQDLNWBCJUSD-UHFFFAOYSA-N 429.299 4.624 30 10 IJEE Cc1cc(C)c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1Br 1626676757 FUCTXYRROGACRF-HXUWFJFHSA-N 446.776 4.742 30 10 IJEE N#Cc1nc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)ccc1Br 1626720474 BULCPOLRRDXPNN-QGZVFWFLSA-N 431.290 4.827 30 10 IJEE C=CC1(CC(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)CN(C(=O)OC(C)(C)C)C1 1626836044 CYJVAAJMJSLPNQ-FQEVSTJZSA-N 436.556 4.561 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4cc(C)c(Br)cc4C3)cc21 1627746332 HAHKOSVMJVJUOA-UHFFFAOYSA-N 425.330 4.883 30 10 IJEE C=CC[C@H](NC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C)c1ccncc1 1633820641 SXMQKWOMWSUCJK-SFHVURJKSA-N 427.430 4.990 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CCC(=O)Nc2cc(C#N)ccc2NC2CC2)s1 1633875495 HTSVOLTVPYAMJB-UHFFFAOYSA-N 427.530 4.507 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C 1636082178 IFNBPWABCVYCAJ-NRFANRHFSA-N 440.588 4.862 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc2n1 1639187349 MNNMZVGSLJYCQA-UHFFFAOYSA-N 438.553 4.829 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(Cc3nc(CC)cs3)CC2)CCCN1C(=O)OC(C)(C)C 1640458445 IMCYEBFIWBNSEU-DEOSSOPVSA-N 447.645 4.832 30 10 IJEE C#CCN(c1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 1642275059 NOMSKEFOMQQJRA-GOSISDBHSA-N 438.281 4.869 30 10 IJEE C=CCN(CCc1ccco1)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 1642452367 SSSQKHFEWNZAHS-AREMUKBSSA-N 443.547 4.697 30 10 IJEE C#CCN1CCN(C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 1643133956 DXCUUDUSSHFMEV-LKUDQCMESA-N 442.584 4.645 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(NCc3cccs3)s2)c1 1644252843 HAOKQCFGTXYMBJ-UHFFFAOYSA-N 443.623 4.868 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@H](c3ccccc3C)C2)cc1 1644478144 ADZUSCVJBUBVPA-NRFANRHFSA-N 442.563 4.711 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCCCCC3)[C@H]2c2ccccc2)cc1 1648894464 MMTVQVZTFZYLFU-HSZRJFAPSA-N 438.593 4.689 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ncccc1C 1649540407 VPZVOFPWLBQPQG-KRWDZBQOSA-N 428.565 4.587 30 10 IJEE C=CCN(CCC#N)CC(=O)Nc1scc(-c2ccc(C)cc2C)c1C(=O)OCC 1653699957 GIGBVBXHNYEANW-UHFFFAOYSA-N 425.554 4.549 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cccnc1Oc1ccc(F)cc1)c1ccc(F)c(F)c1 1655030881 CTZANQHGMTUVPQ-FQEVSTJZSA-N 434.439 4.887 30 10 IJEE CCCN(c1cc(Br)c(C#N)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1655109195 GRIAQYCNNJJMTL-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1cccc(C)c1 1656022235 AIQVGFXTNDCDFV-LJQANCHMSA-N 427.957 4.969 30 10 IJEE C=CCC[C@H]1CCCN1S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1657257545 RPSTVZAUCQSYPJ-HNNXBMFYSA-N 427.389 4.692 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)cc1 1658659239 RRJFLAPPBIAMBZ-RUZDIDTESA-N 446.595 4.942 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1658740248 YPDFAXXPUDIBGQ-HKUYNNGSSA-N 447.442 4.978 30 10 IJEE C=CC[C@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[nH]2)C1 1659574073 FCGKZVNJCLKLHK-KRWDZBQOSA-N 436.581 4.560 30 10 IJEE C=CCCCCCN(C)S(=O)(=O)c1scc(Br)c1Br 1660367814 HNXPXXRHALFNNF-UHFFFAOYSA-N 431.215 4.640 30 10 IJEE N#Cc1ccc(Br)c(CN[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 1661410958 BOWFVFOTFIRZKS-GOSISDBHSA-N 436.756 4.867 30 10 IJEE C=CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)[C@@H](C)COC 1665560258 MUMFJKIWVQXOMY-UWJYYQICSA-N 448.032 4.733 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2COc3cc(F)cc(F)c32)cc1 1668066315 HVFACZQWSVBEKC-SFHVURJKSA-N 437.402 4.893 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(I)cc1Cl 1672029631 HLVMBSKPQNZRGX-BLLLJJGKSA-N 432.733 4.879 30 10 IJEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCCc2ccccc21 1677300348 DOJCTHOIESJWSX-DFIYOIEZSA-N 449.570 4.662 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)c1ccc(F)c(F)c1 1677435854 CXPVQESXAMIJIQ-QHCPKHFHSA-N 429.511 4.556 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc(OC)c1OC 1677637011 BWUMIUWEZGMSSG-UHFFFAOYSA-N 444.522 4.875 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@@H]1CCCc2ccccc21 1678140588 OWHDKDOZXKVOAD-RBBKRZOGSA-N 437.971 4.650 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](CC)Oc1cccc(Cl)c1)c1ccc(Br)cc1 1679947894 XWXBWEFGNRSFFM-PKOBYXMFSA-N 435.749 4.934 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)c1ccc(Cl)cc1F 1681334677 YGIIVOOZSXBNEZ-DHIUTWEWSA-N 443.950 4.688 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 1681942368 LKPUKYWHLMFMCC-SGNDLWITSA-N 431.580 4.651 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1)c1ccccc1 1681945906 RXYZGIGSQMEJNS-CTNGQTDRSA-N 425.504 4.724 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)[C@@H](c1cc2cc(Br)cc(C)c2o1)C(C)C 1682794102 CCXBYHVVVJRHDC-HXUWFJFHSA-N 448.405 4.797 30 10 IJEE C#CCN(C(=O)NCC(F)(F)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1683103795 UWJWJUOLYJBZCT-SFHVURJKSA-N 449.295 4.710 30 10 IJEE C=CCCC(C)(C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1683919697 YJRPEVVNGLCLIP-SFTDATJTSA-N 445.604 4.832 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](CC)C1 1689881313 NBNREMRWJCGGJO-FQEVSTJZSA-N 434.540 4.536 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccsc2)CC1 1689897690 FKNGFERJQMZRTH-UHFFFAOYSA-N 425.627 4.883 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OCC2CC2)nc1 1689952928 ZOPUSUSTHOIPOE-UHFFFAOYSA-N 429.568 4.544 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCc1sccc1C 1690088703 UCONNCKHNYFCOW-UHFFFAOYSA-N 433.556 4.675 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(CC)(CC)OC 1690192622 CBQJBLJYEHMCEY-FDDCHVKYSA-N 428.552 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](OC)[C@@H](C)CC 1690198200 GSVWCGPTMDGMQL-LERMDLETSA-N 430.980 4.660 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(C)cc1OCCCOC 1690206546 URVMWXZBZNKUFL-AREMUKBSSA-N 438.616 4.631 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690278481 CFQZDPSQJZNSPY-MJGOQNOKSA-N 441.645 4.593 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCCC2)CC1 1690436520 VBHVAFKFFFXPPG-UHFFFAOYSA-N 442.677 4.691 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1690520522 ZVTQVILVIXGEQA-ROUUACIJSA-N 446.039 4.986 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1690560652 XRHZIGQRONUGII-IMSXRSKXSA-N 449.599 4.789 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C)COC1 1690574135 PKAIAJOSCJHJLR-QGZVFWFLSA-N 442.560 4.848 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690632962 ZLRDPOLCQKIXFE-UHFFFAOYSA-N 443.617 4.519 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=C)Br)C1 1690689402 CVARTJNEBUYGQF-IBGZPJMESA-N 445.405 4.933 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCSC(F)(F)F)C1 1690706899 LXCKSGADGKGKOC-INIZCTEOSA-N 446.926 4.557 30 10 IJEE N#CCC1CCN(c2nnc(C3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1698491548 FXMSCCDSVZEQDD-UHFFFAOYSA-N 448.493 4.559 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1 1705694677 DICCFWBULJBTPC-RBBKRZOGSA-N 433.581 4.538 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1cscn1 1705706673 YIRNNURWJUEBAT-NZQKXSOJSA-N 437.613 4.528 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@](C)(O)CCC(C)C)CC1 1705772167 LAVSOEWOVSWBGI-VWLOTQADSA-N 426.605 4.818 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cn3ccccc3n2)n1C/C=C\CC 1705864387 AANFNCCGFDDQDG-UITAMQMPSA-N 430.531 4.815 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Br)s2)nnc1N1CCCC1 1705912451 KOEMHDASHXZJQY-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccccc2Cl)N(C)C)C1 1705925671 SKWNJYHZJDDRGG-DENIHFKCSA-N 444.023 4.673 30 10 IJEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)C1 1706122468 AELLTGMAPQDJPL-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE Cc1nc(C)c(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)s1 1707738935 ADHLJMSERKIOAU-OAQYLSRUSA-N 426.977 4.850 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722303953 UZJLGEHJGUJYKN-BBWFWOEESA-N 436.478 4.617 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1722324291 ORZAQLSZQJDRTH-IBGZPJMESA-N 440.588 4.624 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722326454 GASQIBAROQGREC-UYAOXDASSA-N 442.991 4.616 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCc2cc(F)ccc2C1 1722328961 ZKOISSISQYBRBR-UHFFFAOYSA-N 445.361 4.884 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC[C@H]1C 1722374027 QDTPKFFPDQZYDR-NFBKMPQASA-N 425.580 4.862 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(OCC)CCCC2)CC1 1722582790 QCGADQAKSTXTOV-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722617366 JSOJXBZZCZNXKR-UHFFFAOYSA-N 431.584 4.895 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)C1 1722623767 MBVNXOHSUNNHRT-CQSZACIVSA-N 439.785 4.800 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1nc(C(F)(F)F)cs1 1722634532 PINVMEAXKCPPTM-UHFFFAOYSA-N 444.486 4.834 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1OCCC1(C)C)C1CC1 1722646632 STYQCUCCMWAKGQ-SFHVURJKSA-N 449.368 4.817 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1OCCC1(C)C 1722678410 QAYAOLPVQWWADI-OAQYLSRUSA-N 426.605 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2[C@@H]2C[C@H]2CCC)C1 1722714031 IDLXAIUAULODCG-IDHHARJASA-N 449.368 4.989 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@H]1CCCCO1 1740540909 OAVMBJGZTQJMSF-TZIWHRDSSA-N 434.540 4.534 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(Cc1ccco1)C(C)C 1740716099 LVXNAYCQCKKAQW-UHFFFAOYSA-N 447.564 4.975 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1 1740756135 NRZUNCTYCKAAGS-PXNSSMCTSA-N 427.936 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1740758255 VNZWMQZNBPRFIV-PXNSSMCTSA-N 445.489 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CCC 1740847854 WABCHNCQNFIESV-SFHVURJKSA-N 436.604 4.667 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1740854537 PZDZZWVALLSJFR-HXUWFJFHSA-N 437.613 4.783 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740875857 LDUONHOTUZAKEB-RTBURBONSA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1ncc(C)s1 1740892272 DYWKRWQFWCBMTJ-CYBMUJFWSA-N 432.391 4.898 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nc(C)cs1)C1CC1 1740907475 VMLJHDNMOPNZTP-UHFFFAOYSA-N 439.585 4.709 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(Br)c1)C1CC1 1740910111 JSHJKBICVXBORG-UHFFFAOYSA-N 433.394 4.841 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(C)CCCS2)C1 1740983882 RQKRBDNUXXHABD-GBXCKJPGSA-N 442.629 4.541 30 10 IJEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1CCCCC1 1741197581 HJPAWTYVIURQLF-UHFFFAOYSA-N 434.632 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1csc(-c2ccco2)n1 1748680424 RZLFNPZZTBXSGP-SFHVURJKSA-N 431.565 4.676 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1748725049 QQYORARYMCTNRZ-JOCHJYFZSA-N 446.599 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1749058661 NVWPBPVELVRCMB-KHCICDEESA-N 426.008 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1C 1749140711 SAASPCBIOLLCJJ-YMPZKCBVSA-N 442.579 4.975 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCO[C@@H]1C(C)C 1749149166 UPOCHRCYBCVZOH-AUSIDOKSSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](COCc2ccccc2)C1 1749367161 RADQMJXHEYJPOZ-XZOQPEGZSA-N 438.616 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](CC)C1 1749375968 MVTCHPBACVUFDV-GOSISDBHSA-N 430.618 4.797 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1749411755 FNTZVESRBQLYIA-FQEVSTJZSA-N 434.588 4.735 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1CC 1749499722 KWJWODOWRZPFTL-OAQYLSRUSA-N 425.621 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCN1CCC 1749554323 RHWPCLKLYKITBA-RTWAWAEBSA-N 443.661 4.691 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCC2(CCC(F)(F)CC2)C1)C(C)C 1749556777 AJFWNZNQHSQCDM-HXUWFJFHSA-N 435.607 4.945 30 10 IJEE COCCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1749587628 CCUNRERKGDKAQT-KRWDZBQOSA-N 441.645 4.934 30 10 IJEE C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1749633821 OCPBCWBICWTKFV-IBGZPJMESA-N 434.588 4.525 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2oc3ccc(F)cc3c2C)C1 1749712246 HDMAPIIHKRFAKF-GOSISDBHSA-N 426.536 4.890 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N(C)Cc1cc(Cl)ccn1 1749757799 CLFVDANOJKJBPQ-UHFFFAOYSA-N 428.005 4.781 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1760131793 ADCRJIGNUSPLEV-HXUWFJFHSA-N 435.959 4.800 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1CC 1760245241 WSWMJJWSNWQNLJ-PKOBYXMFSA-N 445.405 4.620 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C(CC)CC)N(C)C)CC1 1760392257 JWXVWDJMIJCVDP-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 1760416732 LPIKOSISUNQDOI-NHCUHLMSSA-N 432.653 4.788 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@H](OC)C1 1760432631 QNQMQRQRYWUFKL-KBXCAEBGSA-N 437.357 4.674 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1760442843 KFUPDHOXYPSJPQ-IBGZPJMESA-N 431.378 4.537 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCCC2)CC1 1760444015 UCWGHLJJYUJZDV-UHFFFAOYSA-N 425.646 4.910 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCN(CC(C)C)C1 1760454318 DZJJXSZNGYVQIA-OAQYLSRUSA-N 432.616 4.792 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1C(F)(F)F 1760454521 MSRMORFLNLGCDL-UHFFFAOYSA-N 440.267 4.725 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1760471188 OXNKZVRWYMZDKA-QFIPXVFZSA-N 445.405 4.804 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CCCS1 1760477472 BGTIVKRBCAXRPY-HYBUGGRVSA-N 442.629 4.659 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCCc1nccs1 1760486669 WCRKEHJUCZCOPW-UHFFFAOYSA-N 436.610 4.992 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1nnc(C(C)(C)C)s1 1760492501 VOEWAUCFXBVNRF-UHFFFAOYSA-N 445.596 4.869 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1760501140 HWLYHOSZMOFVSA-RTBURBONSA-N 434.531 4.826 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760563592 WPILMEAMNJKZLF-FXAWDEMLSA-N 448.423 4.756 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCO[C@@H](C)C1 1760569289 KCRNNSKFWLLCJB-FQEVSTJZSA-N 444.645 4.823 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCCCC1 1763980342 FPKSHLVWTFWMBA-XMMPIXPASA-N 434.632 4.826 30 10 IJEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)C1 1764507731 BHTGRIDOMADJKW-QHCPKHFHSA-N 448.615 4.530 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2occc2C)cc1 1767576939 BBCJTEMVKYNYNG-LJQANCHMSA-N 449.555 4.897 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1C(=O)O 1857891360 SNZLDKXVQRUCLQ-UHFFFAOYSA-N 434.577 4.515 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)[C@H](C)CC 1861091388 YMMATYIRJLIVID-NTKDMRAZSA-N 434.621 4.644 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1C 1862400642 JRBSXDZOILQMGZ-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1OC 1862437734 XXPVSOGWYBHGDY-NRFANRHFSA-N 441.911 4.878 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1)c1c(F)cc(F)cc1F 1862467384 OQKLHRHTWNQXOP-KRWDZBQOSA-N 441.327 4.863 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2C(=O)O)cc1 1862477844 SVAVTCASUGMKTL-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccccc1)c1cccc(O)c1 1862589128 FKJYFZFJUSXFMJ-DEOSSOPVSA-N 427.500 4.993 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Br)c1)c1cccc(O)c1 1862600406 SOBHZFILDHWIMU-IBGZPJMESA-N 442.309 4.676 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(OC)c1 1862627664 PQSYGUMBNOFFBW-JOCHJYFZSA-N 437.492 4.583 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(OC)c2)c1 1862703907 ZVYRFRNYHXOBOS-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(O)c1 1862711722 BBRZNRDHWHUPJL-HSZRJFAPSA-N 431.488 4.875 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(CCCCc2ccccc2)C1=O 1863305862 GRPCDZOZLQJQLV-UHFFFAOYSA-N 439.490 4.912 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2ccc(F)cc2F)C1=O 1863312243 MHOUBEADFYKEGG-UHFFFAOYSA-N 437.490 4.579 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2ccc(OCCC)cc2)C1=O 1863346760 CPLQZHDGHLSTAM-UHFFFAOYSA-N 430.426 4.872 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N([C@H](C)c3ccccc3)C2=O)ccc1F 1863469761 XOMCEYSHRFVNAJ-QGZVFWFLSA-N 425.463 4.959 30 10 IJEE CC(C)(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868333045 VVMTZTXEIPXZRN-NRFANRHFSA-N 446.599 4.807 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)/C=C/c3ccccc3Cl)cc2)CC1 1870140965 STIUHONSGKWEBJ-IZZDOVSWSA-N 446.942 4.681 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)c1ccc(Cl)s1 1870153091 AVTZVKDBYFPUGA-UHFFFAOYSA-N 435.896 4.685 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN(C)C 1870493610 BCJADVNKRCBUSU-UHFFFAOYSA-N 447.664 4.878 30 10 IJEE N#Cc1ccc(COc2cn(C[C@H]3CCCO3)c(CNc3cccc(Cl)c3)cc2=O)cc1 1871252161 NLAFXNUOZWMKJK-HSZRJFAPSA-N 449.938 4.743 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)c1OC 1871395131 HMXPSMPWQTYDEC-IWIPYMOSSA-N 443.499 4.978 30 10 IJEE CN(C)C1CCN(Cc2c(O)ccc3c2O/C(=C\c2c(Cl)cccc2Cl)C3=O)CC1 1871396084 MNTRNDSGIFCVSR-MTJSOVHGSA-N 447.362 4.841 30 10 IJEE COc1ccc(-c2coc3cc(OCc4ccc(C#N)cc4)c(OC)cc3c2=O)cc1OC 1871417622 MRZSJFXWMJOXKG-UHFFFAOYSA-N 443.455 4.936 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1cccc(Br)c1 1871430997 OZFALJNYFGVCEI-ODLFYWEKSA-N 440.249 4.676 30 10 IJEE CC(=O)c1sc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)nc1C 1871433964 LDJLZYDZRYECAQ-JMIUGGIZSA-N 448.500 4.596 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871803411 WQUVOUSKJDDIGU-LJQANCHMSA-N 441.380 4.896 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1)S(C)(=O)=O 1871847346 BCRIYTRJGIXWSE-HSZRJFAPSA-N 436.533 4.606 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872516045 GPJOHBVYDKLGSL-QHCPKHFHSA-N 428.598 4.904 30 10 IJEE C=CCNC(=O)c1cc2c(N(CCCC)CCCCCC)ncnc2n1CCCOC 1873586559 BYSNZTHUKYVQCD-UHFFFAOYSA-N 429.609 4.570 30 10 IJEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873594529 VQICRNBUORDGHB-NHCUHLMSSA-N 445.611 4.852 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874230330 DPANCGVFEQGUDY-FSJBWODESA-N 444.944 4.584 30 10 IJEE OCCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1F 1874234096 QWTYWWYFCPCDDL-YZSQISJMSA-N 434.540 4.712 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874267335 RXDLZDXRJSDLMM-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccccc2OC(C)C)cc1C 1874359065 NCXAQCMSGXEROT-PCLIKHOPSA-N 438.597 4.630 30 10 IJEE CCCNC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccc2ccccc12 1874421239 BIOUINNFHXYVNM-ZVHZXABRSA-N 435.578 4.660 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1O 1874473931 DUHOCUMBGDPJRH-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)c1 1874493609 VWKSMNBSJAAKOS-DHRITJCHSA-N 449.580 4.789 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1OC 1874502390 FNLVWCWKJKDQJR-AFUMVMLFSA-N 448.548 4.769 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccco2)c1 1874601183 XVQRNJWQIVZPHP-VQHVLOKHSA-N 425.868 4.533 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3OC)c2)c1 1874704532 UCBMFDQHOVJKFK-FMIVXFBMSA-N 448.471 4.836 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)C1(c2ccc3c(c2)OCO3)CC1 1875129277 SPBLTVXIIPWSGF-JXMROGBWSA-N 442.467 4.957 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(F)cc1F 1875153031 YIEFZMFOXAHUGC-FARCUNLSSA-N 438.382 4.817 30 10 IJEE C=CCN(Cc1ccccc1)c1ncc(I)cc1Br 1881119701 FCNBHDBAOZBPIG-UHFFFAOYSA-N 429.099 4.641 30 10 IJEE N#Cc1cnc(Nc2ccc(Br)c(I)c2)c(Cl)c1 1917230886 OQPCMYAUJRWVFL-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 1926489022 IDSXGMJFZAOVKD-HJPURHCSSA-N 431.533 4.586 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCC1 1985179133 FXNDPARTYWAYNY-KOSHJBKYSA-N 445.563 4.892 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 2033306443 KGATVECCEAPSOT-PWIZWCRZSA-N 445.560 4.974 30 10 IJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2054187515 CKTIQHCMVSOYIQ-YMPZKCBVSA-N 441.616 4.579 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(Cc2ccccc2)C(C)(C)C1 2079248074 CTAGOZURDFTMNX-XCZPVHLTSA-N 436.640 4.933 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2079897334 WQCJYQCFWKMWRL-AWEZNQCLSA-N 431.224 4.551 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CCC(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2124539836 ZSJXSONFTBEOFV-UHFFFAOYSA-N 444.381 4.707 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124541903 YAZRTMRXIYBOJR-INIZCTEOSA-N 448.344 4.871 30 10 IJEE CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(Br)cc1C#N 2174567428 FTUDPJBXYCVJQI-UHFFFAOYSA-N 436.394 4.790 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(C#N)c(Br)c3F)C(C)(C)[C@H]2C1 2174808788 RUYBQQUYRNKSDA-KGLIPLIRSA-N 438.341 4.542 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3ccc(Br)c(Cl)c3)c2)OC1(C)C 2178298874 XELCDFCPZJDWGS-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2C#N)CC1 2181107397 HUSMIBWDKIBWDB-BBRMVZONSA-N 436.350 4.733 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2c(Cl)cccc2Br)CC1 2201805073 FXBBOUOHVBZMGK-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCC12CC2 2214705722 AQYDOXVJSJOQEK-NRFANRHFSA-N 434.541 4.750 30 10 IJEE CCCc1ccc(C#C[C@H](CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)NC)cc1 2231231770 XQJSCETYFLPIKQ-AREMUKBSSA-N 449.639 4.606 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235717689 BHHUDVFBFXTOSR-IEBWSBKVSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1ccccc1I 2235728824 SAOXJHBYKQDCMW-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE C[C@H](C#N)C1CCN(C(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CC1 2236700641 PAKHGJBDNODNQM-CYBMUJFWSA-N 436.350 4.808 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2255525801 JTJHTIGJNKUQGY-GOSISDBHSA-N 425.353 4.812 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCCC3)c(O)c2)OC1(C)C 2267727257 IHPJWHXTRNGZJN-UHFFFAOYSA-N 435.373 4.524 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@H](N)C#Cc1ccccc1Br)C2 2289352122 XMXSJSIDBZLVBQ-IAPKMXHRSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccc(Br)cc2)CC(C2CCC2)C1 2296227389 OGDIVZDPYLEZDS-UHFFFAOYSA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@H](N)C#Cc1ccc(Br)cc1)c1ccccc1 2296279140 LSPUEDWVDAMICS-UXHICEINSA-N 429.358 4.784 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@H](O)C#Cc1ccc(Br)cc1 2296288766 KGEQLDAXGKHOBS-HXUWFJFHSA-N 436.390 4.979 30 10 IJEE C=C(C)COc1ccc(C=C[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC 2297472716 FTQXATWVZGELIV-HHHXNRCGSA-N 432.564 4.986 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 2314477669 KKLLWFYTUVSHIY-OAQYLSRUSA-N 445.346 4.533 30 10 IJEE CCOc1ccc(C=CC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 2320450704 GXTOTJKDWMJJRP-UHFFFAOYSA-N 437.503 4.960 30 10 IJEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCCN3CCCC3=O)CO4)C2=O)cc1 2322267142 OJRPLVQMEFCKTQ-UHFFFAOYSA-N 446.547 4.591 30 10 IJEE CCc1ccc(C=NNc2cnn(-c3ccccc3Cl)c(=O)c2Br)cc1 2322667417 YTLSFIGSEIMCDY-UHFFFAOYSA-N 431.721 4.657 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2323125105 BIMVDMDEHFNFNT-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE COC(=O)c1ccc(COc2c(OC)cc(C=CC(=O)c3ccc(F)cc3)cc2OC)o1 2324181873 IICWZJSPNPKZMJ-UHFFFAOYSA-N 440.423 4.698 30 10 IJEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324224407 CAHLRRMFDIKNFW-UHFFFAOYSA-N 445.427 4.642 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2324972507 UEUNEMNNGSKPLT-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2325382852 NRLGQXTUDAPOMZ-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2327756038 PJFREGJPTJILOB-DYCBMTEISA-N 442.600 4.992 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(OC)cc1OC 2328559449 CZINTZWZXTVMHZ-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cc(Br)ccc1F 2328765369 QZCZUAGUGGJZDC-UHFFFAOYSA-N 449.349 4.980 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccccc2O)cc1 2329256937 RNCBLSZXOIBJDH-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccc(F)cc1 2330819316 MYUHUMDTIKRRCV-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(O)c2)c(C)c1 2331100838 OOLLUDVQSSLKKM-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2331664968 RUDJDNBYCRRYLT-MRXNPFEDSA-N 441.988 4.736 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(F)c(Br)c2)OC1(C)C 2339389074 CQKDGEYSLGZTOU-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2339547539 RDCXINPGSXLPSA-MHECFPHRSA-N 441.381 4.538 30 10 IJEE Cc1cc(CNCCCCCN(C)Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343645114 MBKMLSCPMCBZKB-UHFFFAOYSA-N 436.449 4.686 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](Nc1ccc(C#N)c(Br)c1F)[C@@H]2F 2358237646 MQMLHCQQBYTUGR-UYHMYPTGSA-N 442.304 4.750 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@@H](N)C#Cc1ccc(Br)cc1 2360196934 AYDFIHKINUWGNR-FRYIKTPZSA-N 433.390 4.696 30 10 IJEE CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839385 TXVVXXTVTBLXOG-QGUKFAFCSA-N 448.460 4.937 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2COc2ccccc2)ccc1OCc1ccccc1 2326925 DUDLOGRAQBFVAV-MYYYXRDXSA-N 446.532 4.616 30 10 IJEE COc1cc(/C=C2/Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc(OC)c1OC 35145834 PEEAVSJETFBCNY-RGVLZGJSSA-N 438.476 4.814 30 10 IJEE N#Cc1cccc(NC(=O)CSc2nc3ccccc3n3c(-c4ccccc4)nnc23)c1 35426760 SISRSXVZDZKKIC-UHFFFAOYSA-N 436.500 4.547 30 10 IJEE Cc1csc(/N=C2/S/C(=C3\C(=O)Nc4ccc(F)cc43)C(=O)N2c2ccccc2)n1 39865529 NFXJXTCTFYJKSU-BWHWHINRSA-N 436.493 4.722 30 10 IJEE COc1cc(OC)cc(C(=O)/N=C(\NCc2cccnc2)Nc2cccc(C(C)C)c2)c1 46128757 OZXQOTJMOZPNTR-UHFFFAOYSA-N 432.524 4.620 30 10 IJEE C/C(=N/Nc1ccc(C(=O)c2c(C)cc3ccccn23)cc1[N+](=O)[O-])c1ccc(O)cc1 66148685 RAFROQNJKOPASJ-XYGWBWBKSA-N 428.448 4.929 30 10 IJEE COc1ccc(-c2nc3sc4c(c3c(=O)n2Cc2cccc(C#N)c2)CCC4)cc1OC 96525793 BLAYWTKNLBNDNQ-UHFFFAOYSA-N 443.528 4.551 30 10 IJEE COc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)cc(Br)c1O 101636267 JUUBZUTTZIXGQK-REZTVBANSA-N 430.052 4.585 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)cc2)cc1 169959673 HYNWVWGSMLOHKP-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 169965053 NWCUJKJBKQUYMW-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(C)c2)c1 169973016 YMJHZMWQHXHORK-OAQYLSRUSA-N 448.544 4.855 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccs2)c(C)c1 169982438 JHJMVFSLMZBVFR-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccccc2)c1 170054715 NMLMQINCXXXRQJ-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170059028 PFENJFBYRMLRGM-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)c1 170066415 HTPFWZBXBCJQKG-LADGPHEKSA-N 449.547 4.966 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)cc1Cl 170209328 VPLTVCICGUZVRT-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)c1 170274816 IWQFFSMCYJBTKC-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)cc1C(C)C 170283620 SRVLFEKSHBZZHI-JOCHJYFZSA-N 433.460 4.900 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(C)o2)c(C)c1 170304829 CTEWOTDCYQOQFV-NRFANRHFSA-N 432.432 4.896 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1 170305205 ZQKWIGPDRCADPO-QFIPXVFZSA-N 428.444 4.641 30 10 IJEE N#C[C@@H](C(=O)c1ccc(F)cc1I)c1ccccc1Br 236216251 XFLWIEQSMWLJOZ-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC2(CCOCC2)c2ccccc21 460564912 YDUGTIPMCNXCAP-UHFFFAOYSA-N 434.515 4.772 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460781069 DSFKPAIDUHYFOH-GBXCKJPGSA-N 448.567 4.895 30 10 IJEE C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 471215001 GSNZNWOEDAQJEV-GWCFXTLKSA-N 427.477 4.507 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1 482880577 VVYIQYVVJNESCV-HSZRJFAPSA-N 437.515 4.554 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 508956238 ODASAZVZIGLPGV-SFHVURJKSA-N 439.585 4.606 30 10 IJEE CCCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)ccc1OC 526824939 BIGCUNXVFKGBEP-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1c(C)[nH]c2ccccc12 526826336 NJWPLMKUXYOUJJ-CFRMEGHHSA-N 433.537 4.591 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 549685555 OLPMKTAAQCRMMS-UHFFFAOYSA-N 435.616 4.658 30 10 IJEE C[C@]1(c2ccccc2)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 558924991 GNADUBIZBMWTPP-HHHXNRCGSA-N 435.531 4.617 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)nnc1-c1ccoc1C 604930457 KYNURKCLDUBDPG-LJQANCHMSA-N 426.517 4.768 30 10 IJEE Cc1ccc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cnn(-c3ccccc3)c2)c1 743053349 SKSPQAKWPLPHIA-UHFFFAOYSA-O 438.536 4.663 30 10 IJEE COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)NCc3ccc(OC)c(C#N)c3)s2)cc1 746727647 GEAWBGHGMXHKGY-OAHLLOKOSA-N 436.537 4.568 30 10 IJEE CC(=O)N(c1nc(COC(=O)Cc2cccc(C#N)c2)cs1)c1c(C)cc(C)cc1C 750430944 TZRZQXMBVZUKJK-UHFFFAOYSA-N 433.533 4.911 30 10 IJEE C=CCc1cc(C(=O)OCc2nnc(-c3cc(C)c(CC)s3)o2)cc(OC)c1OC 761178445 HCVOAVMIXXFYAK-UHFFFAOYSA-N 428.510 4.772 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H](c2ccccc2)c2ccccn2)nnc1-c1ccco1 769658127 UBWJTJYWNSDRQR-JOCHJYFZSA-N 446.532 4.934 30 10 IJEE COc1cc(C(=O)/C=C/c2ncc(-c3ccccc3)s2)ccc1S(=O)(=O)C(F)F 770571961 AMSDHIHTSIOMKU-CSKARUKUSA-N 435.473 4.711 30 10 IJEE COc1ccc(CN[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1C#N 773084488 SNDKOVGITRGQNZ-QFQXNSOFSA-N 449.551 4.560 30 10 IJEE C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)c1ccc(Cl)cc1 777215191 HWZQHUYTLZBFBE-STQMWFEESA-N 444.940 4.541 30 10 IJEE N#C[C@@H](C(=O)[C@@H]1CCCN1c1ncnc2ccccc12)c1nc2cc(Cl)ccc2s1 783068993 BVMFRPFPPAEHFC-YJBOKZPZSA-N 433.924 4.738 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(F)cc1 812894902 QSTAGZIMNPDNQR-IIBYNOLFSA-N 425.504 4.585 30 10 IJEE CC(=O)N1CCc2sc(-c3csc(=Nc4ccccc4C#N)n3[C@@H](C)CF)cc2C1 814210369 DICUBZODONIXMZ-AWEZNQCLSA-N 440.569 4.817 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3OC)n2)cc1 1083988495 LCTKNQMDHVIQOZ-HNNXBMFYSA-N 438.557 4.504 30 10 IJEE CCOc1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(Cl)c3)N(C)C2=O)c1 1084638489 FDWSYQYVIFOGLR-SFHVURJKSA-N 431.945 4.637 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2nc(-c3cccc(Cl)c3)ns2)cc1Br 1125544459 DFHHRSYIUOBLOR-UHFFFAOYSA-N 449.717 4.510 30 10 IJEE C#CCSc1ccc(COC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)cc1 1128144596 BWBIQXPBHPDITP-UHFFFAOYSA-N 446.565 4.771 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1OC 1130785655 RFLBOZCDOUJHJB-CUVMYHFPSA-N 441.955 4.835 30 10 IJEE C=CCn1c(SCC(=O)NCc2cccc3ncccc23)nnc1-c1ccc(Cl)cc1 1133243398 AAQZSEBJKXOYLG-UHFFFAOYSA-N 449.967 4.741 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)cc1 1134141058 XPWSDQIUIRUGKI-UHFFFAOYSA-N 445.178 4.574 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(C)(C)C 1155648254 BPNCSTQUAUUBOF-OAHLLOKOSA-N 429.439 4.725 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1160815844 HQFQOBNBNYALLZ-VXKWHMMOSA-N 449.938 4.537 30 10 IJEE C=CCn1c(SC/C=C(\C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O 1164419710 XBVQUXJMFRBAEF-XNTDXEJSSA-N 426.563 4.831 30 10 IJEE C=CCCCN(CC)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1180028885 VWFPLIOKFNNDGA-UHFFFAOYSA-N 442.625 4.891 30 10 IJEE N#CCC1(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)CC1 1188538462 DGRRRJUMZRHZOS-UHFFFAOYSA-N 426.343 4.878 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1OC 1200459545 FXAODBCJSLXCSG-NRFANRHFSA-N 439.556 4.691 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1205499039 UMAYKSXJVRJOLE-UHFFFAOYSA-N 429.520 4.674 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)cc2n1 1209582671 VXKBAPYAQCMXOT-HXUWFJFHSA-N 430.430 4.847 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC[C@@H]3CCCc3ccccc3)C2=O)cc1 1234023157 FIJJBHWGLDLPQC-ILBGXUMGSA-N 444.579 4.641 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286316700 LKDQKTMKJOIELA-FCHUYYIVSA-N 432.572 4.699 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286355360 MNNQJFISFTTYAN-NRFANRHFSA-N 443.636 4.508 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)C1 1286549111 DHHPAMCBYPYSAQ-SUMWQHHRSA-N 426.870 4.564 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286590209 WYWVVSYOYCVOSZ-UHFFFAOYSA-N 448.398 4.809 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1286622290 UPFDRHLXCBVXCC-UHFFFAOYSA-N 432.311 4.501 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CC2(C)C)CC1 1286648089 BUJOHPNPHSYFKQ-MRXNPFEDSA-N 431.378 4.822 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@@H]2C)CC1 1286654190 BWKPUONUQFSQIB-RBUKOAKNSA-N 444.023 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1286669035 XTYZIMSDZFDHMJ-SFHVURJKSA-N 428.577 4.568 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1286700206 FQFKHBVSIHCSQZ-UHFFFAOYSA-N 428.650 4.588 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 1290235030 NUDQJTOLWLOSAC-GGAORHGYSA-N 435.955 4.801 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4cccc(F)c4)c3CCC)n[nH]2)c1C 1295563231 BZVGWMVGUZPBIT-UHFFFAOYSA-N 447.518 4.606 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 1299074237 SSKQEDWPUIUKSV-MJGOQNOKSA-N 444.963 4.577 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@@H](C)C1 1300603735 XZZPOZCNRNBWDV-RBBKRZOGSA-N 431.584 4.627 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCC1(F)F 1300606740 SMOBMIYYSQUYHZ-MRXNPFEDSA-N 437.332 4.993 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](CC)C1 1300938871 IAKBDGLLBXHOPF-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1301119645 QTNAOJWXKUIECR-SFHVURJKSA-N 439.604 4.817 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCc1ccsc1 1301351498 UPNRJWFXXULNPC-HXUWFJFHSA-N 426.561 4.808 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC=CCC1)C(C)C 1301367489 OVRNTRHZIOHGSA-VWLOTQADSA-N 442.611 4.958 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)C[C@@H](C)c1nccs1 1301529043 HMMKPBSKRXQGGQ-GOSISDBHSA-N 446.580 4.650 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CCC)CC2)C1 1301542853 RZFQCDNFRZHMQV-GOSISDBHSA-N 430.980 4.969 30 10 IJEE CS[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1302582996 IDPSZHGTGIDOGA-CVDCTZTESA-N 438.576 4.713 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cccc(Sc3cccc(Br)c3)n2)CC1 1303788248 MPUQBRURYLWOBA-UHFFFAOYSA-N 433.371 4.539 30 10 IJEE C#Cc1ccc(S(=O)(=O)N(CCN(CC)CC)Cc2ccc(Cl)c(Cl)c2)cc1 1309113183 GCHBRVHZCIBWOR-UHFFFAOYSA-N 439.408 4.507 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(F)cc1 1309523528 IDGZJQURVSPGFQ-OAQYLSRUSA-N 444.325 4.908 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 1310195365 HBSSQJCGSGPBBW-UYAOXDASSA-N 434.323 4.774 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccc(Cl)cc1 1312937021 MHQCJAGAJICLHW-YLJYHZDGSA-N 438.890 4.793 30 10 IJEE C=CC(C)(C)CCCNC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 1313239858 PBJALODMEUGWKR-SAPNQHFASA-N 435.977 4.668 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2Cc2cccs2)C1 1327190011 GQTYZWAXVWTZLC-GOSISDBHSA-N 431.565 4.693 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)nc1C(C)C 1356562636 AOVUYZHAPGVMRC-UHFFFAOYSA-N 439.493 4.739 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[C@H]1C[C@H](F)C1 1358878552 ZDYVOUOOCYROSK-UMVBOHGHSA-N 439.760 4.957 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H](C)C1 1359080134 HJMFYIUMIWVTKS-HNNXBMFYSA-N 449.393 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CC)C1 1359094609 CUESSJHRWPYQGZ-LEDOBFOHSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)C1 1359095352 NPBFHGUHQIVNOP-XQFWAAQXSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC(C)C 1359095709 QWIKLHBAHPPPQB-APWZRJJASA-N 433.394 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCc1ccc(Br)s1 1359112493 LLKDTWSEDNUZJW-MRXNPFEDSA-N 439.423 4.989 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359186737 QXXRZDVMLOPHNB-QFIPXVFZSA-N 449.599 4.690 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359208276 JELIUJBXUZHDGX-JOCHJYFZSA-N 449.559 4.732 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359211019 PQTOYOWEFTXMSQ-RXFWQSSRSA-N 438.616 4.983 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359219973 KJKSIXQTFRDDSV-LJQANCHMSA-N 430.980 4.608 30 10 IJEE C#CCOc1ccc(COC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1435848144 PWKXVVHCDGASBO-XXBNENTESA-N 443.902 4.533 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc1Cl 1438002448 UVEGTYJUMPVRFY-CYBMUJFWSA-N 435.417 4.792 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 1456309640 TUXSIEHMDAADOT-UHFFFAOYSA-N 442.419 4.598 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458738055 WFPNWESTANYUEB-OAHLLOKOSA-N 439.606 4.808 30 10 IJEE C=CCOc1ccc(CNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)cc1 1459931561 RVFDLCOOGQZMJH-UHFFFAOYSA-N 434.496 4.630 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)COc2cccc(Br)c2C#N)C(F)(F)F)cc1 1460043037 SLHJASHLJXYAIG-GOSISDBHSA-N 438.199 4.528 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1461064481 FWTBFIQNKITBJS-INIZCTEOSA-N 440.469 4.991 30 10 IJEE Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1466767167 BWMDGQAKZFXYQZ-UHFFFAOYSA-N 448.420 4.907 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)[C@@H](OC)c3ccc(Br)cc3)cc2n1 1467353182 IWXOZQBJBZLFBW-VBKZILBWSA-N 443.345 4.883 30 10 IJEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)c1ccc(Cl)cc1 1468721424 VDURSONOPDQCDC-GOSISDBHSA-N 444.965 4.615 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(N(C)C(C)=O)cc2)cc1OCC 1474213233 JCRRZUGFMSMRDY-UHFFFAOYSA-N 447.373 4.685 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 1476664180 LNKPIMNGICAHAK-BGYRXZFFSA-N 425.554 4.819 30 10 IJEE CCc1ccc([C@@H](NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c2cccc(F)c2)cc1 1477334803 AZXXXDZQFTYQSN-RUZDIDTESA-N 429.495 4.822 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1ccc(I)c(Cl)c1 1478525392 KOXRXWMCEZRMEE-UHFFFAOYSA-N 446.741 4.904 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(CC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1492988589 DGZKLWHWXGQFIL-KRWDZBQOSA-N 432.572 4.926 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 1504097721 HOBSPAJBJCQDOH-DLBZAZTESA-N 443.979 4.552 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cn(CCCCC)nc1C 1507534498 UDJVNWAVJZTEGI-SFHVURJKSA-N 429.572 4.628 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1507559040 ZMPJSGQQUZRIQS-XUVXKRRUSA-N 442.991 4.738 30 10 IJEE C#CCCCCn1c(N(C)C2CCC(C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507575055 SCXCUQVODGIVMP-JWEZTNTCSA-N 443.636 4.867 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCN(CCC)C1 1507608040 DLRJBYWKHILBIP-SFHVURJKSA-N 437.588 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCC[C@@H]1CC 1507770193 QEKADSOTPCVJCY-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC1(CCOCC)CCCC1 1507770781 UAIRIUKZHSEDSC-RUZDIDTESA-N 438.591 4.987 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(CCc1ccc(F)cc1)C1CC1 1507794848 AUPUGEQUCNJZIG-HYBUGGRVSA-N 426.580 4.808 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(F)cn2)CC1 1507895965 GASKLLVPAXWUJP-MRXNPFEDSA-N 425.483 4.542 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(C)(C)COC)CC1 1507898526 ZUWUMMHIPLLAEZ-UHFFFAOYSA-N 427.549 4.709 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1507900379 LTJNUWVGAOIHIE-RXFWQSSRSA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1507905647 WYIITYIYJPGQDA-HSZRJFAPSA-N 443.016 4.894 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCSC)CC1 1507909404 DSVXLBKRWHWRLG-SFHVURJKSA-N 435.638 4.506 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1507914326 KIKFDTIVKYSQTD-QHCPKHFHSA-N 449.643 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507922469 BEWHODUFTRKMMT-QHCPKHFHSA-N 431.650 4.878 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1507933667 AENZDWIFIGWPFT-LAUBAEHRSA-N 448.970 4.899 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1507942767 WETFKEMJZQQKNX-SFHVURJKSA-N 432.515 4.800 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1507973319 ZOBSNAHKPYVDKR-UHFFFAOYSA-N 443.338 4.579 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC(C)(C)CN(C)C 1508004493 GHUZRXIWHRHOGD-UHFFFAOYSA-N 436.579 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1sccc1C 1508010616 BLMQEIULVXRLEI-UHFFFAOYSA-N 438.626 4.812 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1508161514 FTLNYJNWZMQODP-PMACEKPBSA-N 433.021 4.589 30 10 IJEE C=CCOc1ccc(COC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1 1514993173 FTNFMTKLWKAGHX-AREMUKBSSA-N 431.532 4.831 30 10 IJEE N#C[C@@]1(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC12CCCC2 1516632145 GKSVGVHLZKRLGI-QGZVFWFLSA-N 436.352 4.981 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)C(C)(C)C)cc1 1517424496 BPRIUDHVAVGVAY-IBGZPJMESA-N 436.552 4.583 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3cc(Br)ccc3C2)CCCN1C(=O)OC(C)(C)C 1521794671 UOXYGLUKDRHWMI-JOCHJYFZSA-N 449.389 4.680 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)C(F)(F)F)cc1 1525856602 TVHZNANDKPYOGY-QGZVFWFLSA-N 435.352 4.986 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)n1 1527214454 HVVILJHJJNWJOA-UHFFFAOYSA-N 425.311 4.823 30 10 IJEE C#CC[C@H](CCOC)NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 1530714311 SSPINPZYSXULCM-ZWUNQBBJSA-N 434.561 4.780 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F 1531505025 RUWUQKHTLUWLEZ-UHFFFAOYSA-N 445.210 4.775 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 1535433100 OWNAVJPJYGBHGO-UHFFFAOYSA-N 443.272 4.556 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 1535869861 JFTFOJBQUFUWOG-INIZCTEOSA-N 442.478 4.790 30 10 IJEE C#CCN(C(=O)c1ccc(F)c(I)c1)[C@@H]1CCCc2ccccc21 1536279921 SFFASDGJHAZFNV-LJQANCHMSA-N 433.264 4.583 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1536549605 HUMMLNJZLDINAB-KZULUSFZSA-N 433.733 4.935 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2cnc(-c3cc(Br)ccc3OC)s2)c1 1537367176 RNDIIEKVHOUJBF-UHFFFAOYSA-N 427.323 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCN1CC 1538987238 RUCJMMVGAQOKDZ-FXAWDEMLSA-N 437.588 4.755 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC[C@@H]1CCCCO1 1539162870 YVOARMUUHVJEFE-FQEVSTJZSA-N 434.540 4.536 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1ncc(C)s1 1539347022 NTMWAXQVTYXDFO-INIZCTEOSA-N 430.581 4.830 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)C2(CCC2)C1 1539496195 DSUCDODPFAICHI-OALUTQOASA-N 442.604 4.940 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1539499036 BTNHGXRMKKVCJH-IYBDPMFKSA-N 447.446 4.865 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1539968628 YZVCQLJBQMEXEE-UHFFFAOYSA-N 444.693 4.909 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1ccc(O)cc1)C1CC1 1540099090 RBHQIOGGPFSXNL-UHFFFAOYSA-N 431.359 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1c(C)noc1C 1540125896 BZJPCQJRYOKSMC-GCJKJVERSA-N 435.572 4.773 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(OC(C)C)nc1 1540139574 AZSKFAIHBGVPBG-UHFFFAOYSA-N 446.580 4.825 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1540855807 YSKFAKVFOIMADZ-AEFFLSMTSA-N 445.995 4.914 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccncc2)n1Cc1cccc2cccnc12 1541513825 GQMUVVKHQNOXJF-UHFFFAOYSA-N 439.567 4.627 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@H]2CCCC[C@@H]2C)cc1C 1542449842 ACKAVBZKKGQAIG-RFWXGWTQSA-N 439.604 4.665 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 1544526654 HRPZFJUIYDRUQT-KKXDTOCCSA-N 434.968 4.802 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CCOC)CCCC1 1545740651 BMHFNCUKGZPSNB-BWKNWUBXSA-N 439.579 4.859 30 10 IJEE C=CCC(F)(F)C(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 1546027201 PZLMDJKQXJSUNY-SFHVURJKSA-N 438.474 4.989 30 10 IJEE CCO[C@@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1547843941 AUYHKXRHOSFCPS-URXFXBBRSA-N 427.568 4.589 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN([C@H](CC)c4ccc(F)cc4F)CC3)cc21 1563314968 CIWVEVZSVSKJLM-JOCHJYFZSA-N 439.510 4.801 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1564913340 JWFLMYMEMCDVFK-NHCUHLMSSA-N 429.605 4.899 30 10 IJEE C#C[C@@H](NC(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C)c1ccccc1 1564997693 NPILKBBIFPBZGJ-FGZHOGPDSA-N 433.552 4.807 30 10 IJEE C=C[C@H](CC)CC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1585080760 ZSSPBWKOMNORGB-HSALFYBXSA-N 428.573 4.745 30 10 IJEE Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 1585707562 ANDWOYGFSGSHKW-UHFFFAOYSA-N 441.516 4.971 30 10 IJEE C#CCOc1cccc(NC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)c1 1585973284 LDBIKYNRHSVYLX-RUZDIDTESA-N 429.516 4.976 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)ccc1SCC(F)(F)F 1586039478 AGBPGXVMKQJTNO-CQSZACIVSA-N 430.492 4.895 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(F)(F)F)CC1 1587739693 YHGVUFCYSDVGPN-UHFFFAOYSA-N 434.462 4.646 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCSC1(C)C 1588099194 JETWATOWXLLLEV-IEBWSBKVSA-N 438.666 4.736 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCC(C)CC1 1588976043 PYFRRGDPLBAHIM-UHFFFAOYSA-N 439.629 4.529 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCN(C)c1ccccc1 1589742311 JRDWBJGSBGSTCB-UHFFFAOYSA-N 446.418 4.918 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2c(C)nn(C)c2C)CC1 1594014129 OFDKQYIPRMGFSI-OAQYLSRUSA-N 434.588 4.590 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1594127613 AYUIGSBWUMZONI-JOCHJYFZSA-N 437.632 4.696 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2sccc2Br)CC1 1594227047 ZCOUIEQJTTZQRQ-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(C)(C)C)C1 1594473304 QABHBFBLUHMZJV-HXUWFJFHSA-N 426.561 4.527 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCCC1(C)C 1595133859 NHWWLOJLPDOYSH-AREMUKBSSA-N 449.574 4.537 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H](O)C1 1595149153 KRRNMKRTVVIEFU-FPOVZHCZSA-N 433.581 4.622 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1595211446 CIICKSDKKFPVNT-PCCBWWKXSA-N 441.620 4.617 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1C(F)(F)F 1595212562 QFSHVJAHQPLGHL-LJQANCHMSA-N 436.478 4.774 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC2CC2)CC1 1595849784 FRBNFUNXCOEDAD-UHFFFAOYSA-N 439.673 4.694 30 10 IJEE C=CCOc1cccnc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 1596391312 AQTODDPFPPJODD-QGZVFWFLSA-N 426.314 4.698 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N(Cc3ccccc3)c3ccc(C#N)cn3)o2)cc1 1597902702 GLXDDDICNMZFHT-UHFFFAOYSA-N 434.455 4.844 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)s1 1612060268 FCVJOKVMSLOGBY-QHCPKHFHSA-N 449.605 4.792 30 10 IJEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1613069587 GENBWFUIBPSLMA-QGZVFWFLSA-N 435.494 4.944 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccn1-c1cccc(I)c1 1617458857 OQLCFVZKQBKEAE-YJBOKZPZSA-N 434.321 4.947 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cccc(Br)c1 1626140660 DSXNOAHIPHFBQR-CJNGLKHVSA-N 445.785 4.532 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(COc2ccccc2)cs1)c1ccc(Br)cc1 1626626978 YNZODUXINJKOQE-GOSISDBHSA-N 442.338 4.981 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCC3(c4ccc(Br)cc4)CC3)cc2n1 1627664160 DZWARCOHWDDWSW-UHFFFAOYSA-N 425.330 4.838 30 10 IJEE C/C(=C/C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(F)c1 1628763213 CQTQENKFJOPQAM-QCSXQHJISA-N 435.339 4.814 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 1639005550 HMDBNKZMTMLWHX-GOSISDBHSA-N 442.934 4.782 30 10 IJEE N#Cc1c(NC(=O)CN2CCc3ccc(Br)cc32)sc2c1CCCCC2 1642203442 GLOAXCIEUMYKRH-UHFFFAOYSA-N 430.371 4.652 30 10 IJEE C=CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CC1CCCCC1 1644603529 XGQVQXZLWDLIQB-UHFFFAOYSA-N 439.522 4.549 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCCC(=O)c3ccc(Br)cc3)cc2n1 1646450455 LQYNWLCWBPYVCG-UHFFFAOYSA-N 426.314 4.977 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1)c1ccccc1 1653396182 AATWRDSVJILJRN-LJAQVGFWSA-N 446.985 4.561 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(Sc2ccccc2)ns1 1654310143 XJIIFVVLRACCKQ-HNNXBMFYSA-N 434.587 4.877 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCSC3(CCCCC3)C2)n(Cc2ccccc2)c1C 1657522693 DUYHKCBSLKPWLF-UHFFFAOYSA-N 436.625 4.715 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1)c1ccc(Br)cc1 1658444302 NBUICKFFVFXQRF-JTDSTZFVSA-N 442.357 4.559 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@](O)(c3ccccc3)C2)cc1 1658869418 HEBLCLYXVIINDV-AREMUKBSSA-N 443.503 4.875 30 10 IJEE CCCc1c(NC(=O)NCC(C)(C)N2CCC[C@H](CC)C2)cnn1-c1cccc(C#N)c1 1660854082 DXSLLDDAYUGGGM-IBGZPJMESA-N 436.604 4.719 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c2ccccc12)c1ccc(F)c(F)c1 1662886677 IUQIKUXBDNWFGT-NRFANRHFSA-N 431.460 4.500 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 1665141165 NRKJSODZSHGGIO-UYOCQKMUSA-N 445.629 4.658 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)NC[C@@H](O)c3ccc(Cl)c(Cl)c3)s2)cc1 1667014786 ANJGTOBFMHQAHM-GOSISDBHSA-N 447.347 4.767 30 10 IJEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1667858864 FSJRYABDIJNQTJ-WMLDXEAASA-N 449.370 4.996 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCCC3)CC2)c1C#N 1668622632 FRCOGHILVJTUQF-FQEVSTJZSA-N 444.004 4.740 30 10 IJEE Cc1ccccc1-c1cnc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)s1 1669016585 DLMPUXFNKWGHGI-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)c1ccc(Cl)cc1F 1669023813 STWZNQKCNAVCBP-MRXNPFEDSA-N 447.695 4.923 30 10 IJEE CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(F)cc1C#N 1669507438 ASUTYGAQNLDTEW-SFHVURJKSA-N 428.451 4.652 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 1670325743 VRDSUDTYCWJIKT-BXUZGUMPSA-N 426.298 4.881 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccc(C(=O)OC)cc1Br)c1ccccc1 1670775308 MBTADXAFUAKEFX-LJQANCHMSA-N 431.330 4.742 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1671851232 DBJKSQLTNANNLA-REIDKSKDSA-N 449.542 4.918 30 10 IJEE C=C(C)[C@H](NC(=O)NCCc1cnc(SC2CCCC2)nc1)c1ccc(F)c(F)c1 1671852132 RJAODRGKUYPWFY-FQEVSTJZSA-N 432.540 4.949 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC(N(C)Cc2ccccc2)C1 1674202274 GSELFMPPZUMMFB-UHFFFAOYSA-N 440.547 4.794 30 10 IJEE Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1677478828 ASMOMXCETSIBOI-LJQANCHMSA-N 431.544 4.750 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)C1 1682286280 NGOVSBBQAHCEAC-QFBILLFUSA-N 429.914 4.710 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 1683381830 CFYULMYAICIOQT-INIZCTEOSA-N 427.932 4.552 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(OCCc2ccccc2)CC1 1689886750 FZNMHDNTMQGHTM-UHFFFAOYSA-N 443.595 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(OC)nc1 1690256438 LYHRRXMKBBOTHJ-QGZVFWFLSA-N 441.963 4.926 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1690274793 DJPZWUOKJQNIRY-YYWHXJBOSA-N 428.552 4.917 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ncc(Cl)n1C 1690328115 FIHKUDAVMOXRGB-MRXNPFEDSA-N 449.386 4.811 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccccc2F)CC1 1690365807 HSEPYFINFHQOGX-UHFFFAOYSA-N 444.352 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690436691 XONZZGHRLQTQIJ-IBGZPJMESA-N 442.677 4.953 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1690445611 ZZIHOSXNTIBQDV-FPOVZHCZSA-N 439.604 4.551 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1690452202 ZIFAGDPCSZJKKG-UXHICEINSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690475370 PEVJNVQUIGPITM-HUUCEWRRSA-N 437.407 4.741 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1CC1CCN(Cc2cccs2)CC1 1690518423 JHWDOHLCXJPAHC-UHFFFAOYSA-N 437.613 4.550 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC(F)(F)C1 1690585614 PMYVVYHZLIDHOM-CQSZACIVSA-N 440.336 4.660 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1690705862 FDHSEFHZDYQABN-TWWGPRNNSA-N 445.007 4.507 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCSC1 1692827647 HFZUYRVDXLCPSZ-AEFFLSMTSA-N 446.020 4.955 30 10 IJEE Cc1cccc(C)c1OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1693182437 FDEZLSUMIGXWEJ-TUNNFDKTSA-N 439.604 4.631 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1705544785 DIOGUAORUAQRAO-CEYNDMKZSA-N 439.673 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(Br)c1 1705702134 KRIQZQZWHZEWLH-RXVVDRJESA-N 447.421 4.857 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705726199 XRPDMTPWVSUKFW-IRLDBZIGSA-N 425.596 4.675 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)CC1 1705781595 DBWRGZUTYSNJTH-HXUWFJFHSA-N 443.636 4.985 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1705800152 PURLTRWIFXGSNU-GCJKJVERSA-N 438.551 4.989 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](COC)C1 1705826087 MZTCQOZINRGBFV-INIZCTEOSA-N 439.387 4.707 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C(=O)NCC)C1CC1 1705850509 WLNFNPSQHRZKHU-UHFFFAOYSA-N 436.387 4.569 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC(C)CC1 1705861578 JIOJKUQKSGBACN-QHCPKHFHSA-N 444.627 4.962 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCN1CCC(C)CC1 1705877940 RKMFJGSMNGMLEV-UHFFFAOYSA-N 433.600 4.814 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(F)cc2Cl)C1 1705920067 PLUSYMACVDSGSC-GOSISDBHSA-N 430.911 4.663 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)C1 1706435532 HAISSIDBYNZOCH-VWNXMTODSA-N 434.632 4.810 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1722338137 MGRWSSVXNYBOEN-HSZRJFAPSA-N 449.643 4.633 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cc2ccccc2o1 1722347055 UUQJFJGFWDJCAB-UHFFFAOYSA-N 441.354 4.827 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cc(C(CC)CC)no1 1722393428 BPAQFVFRGWJDBR-UHFFFAOYSA-N 440.551 4.829 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCOC 1722481229 ZTPUFWPWMWMAOX-ZDUSSCGKSA-N 439.423 4.513 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC)(CC)C1 1722546629 SFHQOASRIKUQSD-UHFFFAOYSA-N 426.790 4.815 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1722560929 HRORZFHWZWXMHL-LJQANCHMSA-N 441.576 4.650 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1722600896 RGDORQLPLZYOBE-GOSISDBHSA-N 429.996 4.764 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722611258 IHDKWPDULKATJK-NRFANRHFSA-N 444.583 4.778 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1722612276 UCNZRDIRYPZCJA-UHFFFAOYSA-N 442.489 4.652 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(OCCC)c1 1722644924 UISSXHDLSZGMJX-FGZHOGPDSA-N 426.605 4.850 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1722648146 KDYCYSYGPWGUFP-RTBURBONSA-N 425.596 4.996 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1Cc1ccc(F)cc1C(F)(F)F 1722670240 DFCASFJDDMIVPZ-UHFFFAOYSA-N 431.437 4.649 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)C1CCCCC1 1722678145 UIVZBEQHEKHIOQ-HSZRJFAPSA-N 432.996 4.569 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@H]2CCCCO2)c1 1724547087 AKBYZWYPPMFBKW-BWKNWUBXSA-N 437.588 4.645 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1nccs1 1740540862 ZWPBOCDIJSJFEF-MRXNPFEDSA-N 425.627 4.823 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(F)ccc(F)c2C1 1740571248 YBNHFGHLJARDTI-UHFFFAOYSA-N 427.886 4.638 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCC1(C)C 1740659486 NNSZEZNOSQPZRX-OAQYLSRUSA-N 434.584 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc(F)cc1)C(C)C 1740764969 MQMREJNCPKDKGW-FCEUIQTBSA-N 428.552 4.665 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 1740853552 FZXVKUUMCRFNBZ-FUPPJEDESA-N 437.632 4.845 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1740866289 ZBUKOJKPPLOPHA-QFIPXVFZSA-N 434.588 4.905 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740919444 GTIAGALOVYORGM-HNVPCBRESA-N 437.632 4.833 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)no1 1740919659 NOMRLGPGAREDDC-UHFFFAOYSA-N 438.894 4.670 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C)nc2)C1 1740972773 MRRFZIXHCGCNIE-GMAHTHKFSA-N 447.583 4.568 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2CCCC2)C1 1740975260 UFPJUAAEWQRGMW-IBGZPJMESA-N 431.378 4.679 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1scnc1C 1748701272 FGSDUIPJWCQNQZ-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](CC)C1 1748731667 IVSRCCSTHUHLOZ-GHTZIAJQSA-N 428.602 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCCc1nc(C)cs1 1749071372 CNGBIIFZNWSDPB-RUZDIDTESA-N 449.624 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749134140 VEEVCGYGYOVTKO-LMMKCTJWSA-N 440.535 4.690 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCCCC1 1749137384 XZKDLWVNIRAJEW-FDDCHVKYSA-N 428.552 4.746 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C2CCCC2)CC1 1749251499 GJLJMEISQYWJKG-GOSISDBHSA-N 447.986 4.764 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1749257024 HBHADCGFFZXAHW-HXUWFJFHSA-N 432.996 4.627 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1749309509 JLQBNGWKZXTTFI-UHFFFAOYSA-N 430.600 4.509 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CCCCC2)C1)c1ccccc1 1749383270 UHIOCQHXQUUFCH-QFIPXVFZSA-N 435.616 4.937 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(CC(C)C)c1C)C1CC1 1749527883 VKKMHUPKOBMXQN-FGZHOGPDSA-N 440.636 4.561 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CC 1749530339 ZERCVFRMBSPVKD-NRFANRHFSA-N 425.621 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC1(CCC)CCC1 1749540852 CSZAWSYAWFEIGZ-UHFFFAOYSA-N 439.579 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(CC(C)C)C1 1749551420 ZZFSTOOEOTXHQT-FQEVSTJZSA-N 438.645 4.895 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CCN1CCCCC1 1749587133 JHLOJSFMTAOBOG-UHFFFAOYSA-N 439.991 4.913 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC2(CCC2)C[C@H]1CC 1749627153 GDDDYQNXEWZFRR-RTBURBONSA-N 429.609 4.738 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1749752675 YUCBRSQQHKBWLL-FQEVSTJZSA-N 425.602 4.597 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC(C)(C#N)CC1 1749763922 NHKCDLXDUGSWSB-UHFFFAOYSA-N 443.642 4.628 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C 1760157891 GOQSKBBFTGXBSK-IRXDYDNUSA-N 431.378 4.658 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)s1 1760245063 PWDKNDKJPBFEJO-MRXNPFEDSA-N 440.638 4.636 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(Cn2cccn2)CC1 1760386590 CVBLAIGOFZGWBQ-UHFFFAOYSA-N 443.020 4.744 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C)CCC1CCOCC1 1760435425 JAJOEMIYKCHPSW-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCC1 1760456376 NUMRJQYVDUTRMP-SFHVURJKSA-N 432.012 4.795 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCC1CCOCC1)C1CC1 1760472145 XCZNDKZGNOFXHH-UHFFFAOYSA-N 449.368 4.818 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(N(C)C)CCCCC1)C1CC1 1760476309 NMGLVIFZPBBISD-UHFFFAOYSA-N 437.632 4.893 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1CN1CCCCC1 1760493649 KGGWPVYUTIZNHF-DEOSSOPVSA-N 435.616 4.732 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@H](C)CC#N)c(C)o1 1761649497 GHYSLQKXOAKKRM-MYYSRTQBSA-N 433.512 4.547 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)CC[C@H]2C)cn1 1766287515 DBIAOODZAQIIST-RBUKOAKNSA-N 430.556 4.674 30 10 IJEE C=CCOC(=O)Nc1ncccc1O[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1858699674 CZRZMDCNPAAVJO-LLVKDONJSA-N 443.809 4.894 30 10 IJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)Oc1cccnc1NC(=O)c1cccc(C#N)c1 1858752809 BSIFODUGNGNEBP-NNTZPNAXSA-N 449.551 4.977 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C2(Oc3ccccc3OC)CCCCC2)nc1C 1859737049 JYAHBICUKWEHKZ-UHFFFAOYSA-N 430.526 4.523 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2n1C 1861391092 UPDMBBHWIYHWLR-QHCPKHFHSA-N 449.595 4.702 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862382888 HDBPFOCBVFZEAQ-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(=O)OC)cc1 1862434855 IMPNAAFQUFVZQR-LJQANCHMSA-N 427.884 4.505 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc(Cl)cc(Cl)c1 1862443659 NUKDFLXRULRGAW-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1 1862557851 PWOZGFGMBOYLLJ-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2C(=O)O)c1 1862559518 PYAWQGOFMJLRPW-JOCHJYFZSA-N 448.519 4.658 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCO)cc1 1862581209 BNLHHECOLNEIKR-LJQANCHMSA-N 434.319 4.517 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862625958 QYRDOGSXRGFBGE-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(O)c2)cc1F 1862638993 OLESAVMOHUYGAV-WTGRHJARSA-N 439.483 4.697 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2c(F)cccc2Cl)cc1 1862667117 SXXITWCFSRCOLL-HXUWFJFHSA-N 431.891 4.563 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2Cl)cc1 1862689152 JMKFAODQJHQICR-NRFANRHFSA-N 434.879 4.522 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 1862800171 ZYTDBSVRDCNGNE-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1 1862967256 FFSICFBWEQTJIF-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866717549 JQUXTZXTIIXAFR-CLJLJLNGSA-N 437.543 4.808 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)nc(C(C)(C)C)n1 1869191432 ROZMJSLPNRZEHN-QFIPXVFZSA-N 435.591 4.511 30 10 IJEE C#CCOc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871006938 CNQFEWHFEAIVHK-UHFFFAOYSA-N 436.515 4.659 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCC(O)CC2)n1 1871663599 GOJUDZSSCUXKRH-UHFFFAOYSA-N 447.027 4.732 30 10 IJEE CCOc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872788949 VDFYPGQXRMPZQH-QGZVFWFLSA-N 438.505 4.725 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C2CC2)ccc1OCc1ccc(Cl)cc1 1873502964 ZVACIHLUGDKEFJ-FSJBWODESA-N 428.945 4.958 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)ccc1O 1874454861 YSMHHHJQXFYCRV-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(F)c2)cc1 1874493874 IVGWHCPAOIKSPZ-AFUMVMLFSA-N 437.544 4.860 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(OC)c1OCC 1874506871 ZJFYZHKWCQWDSS-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1 1874542268 RDXVNGLFJMPALM-YDZHTSKRSA-N 430.961 4.870 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(Br)ccc1OCC(=O)OCC(C)C 1874575366 JLBQDNYLAZHHAI-CSKARUKUSA-N 447.325 4.932 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2C)c(OC)c1 1874587929 LUGGPTGNRBWSHW-NTCAYCPXSA-N 431.488 4.926 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Br)c1OCCCO 1874607196 VZCFQMLMNRUPDM-SOFGYWHQSA-N 449.341 4.822 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)o1 1874632857 YDLVNJCXXBQWLU-NTUHNPAUSA-N 436.460 4.949 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)cc1 1874714239 LKSQJKUSHPJTHT-VGOFMYFVSA-N 448.471 4.593 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)COCCOC 1875135756 GOKYLZMXFJHEAH-JXMROGBWSA-N 432.900 4.512 30 10 IJEE COCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1875183783 SCYJBXGCWNHHJM-VOTSOKGWSA-N 447.325 4.831 30 10 IJEE COc1nc(N(Cc2ccccc2)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 1888625814 AYLIRWNDXBVINW-UHFFFAOYSA-N 430.357 4.596 30 10 IJEE Cc1ccccc1-c1nc(C)c(C(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)s1 1890406340 GXMBNPGNLJYIJD-UHFFFAOYSA-N 445.592 4.682 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C#N)(CNC(=O)OC(C)(C)C)C(C)C)c1 1944401402 VYGKZTZPBQHBAH-QHCPKHFHSA-N 433.549 4.880 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1950333484 UIWSUCDFNKWRDU-KSNOWIBYSA-N 427.589 4.739 30 10 IJEE C#CCCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CC1 1984779152 PWTSJDTVXGWGCY-AFMDSPMNSA-N 444.575 4.954 30 10 IJEE CC1([C@@H]2CSC(=Nc3cc(I)ccc3Br)N2)CC1 2033115323 RJQDFXTUJOOBKF-NSHDSACASA-N 437.144 4.546 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2cccc(Cl)c2Br)C1 2063052132 PIJBANWPNJETKK-HNNXBMFYSA-N 429.786 4.833 30 10 IJEE CCOP(=O)(OCC)c1c(C(F)(F)F)nn(-c2cc(C(F)(F)F)ccc2F)c1N 2080393553 SJFPYIXSKCNQEW-UHFFFAOYSA-N 449.263 4.523 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](Nc2ccc(Br)cc2C#N)(C(F)(F)F)C1 2105980752 APLHRDCYMIMIMK-INIZCTEOSA-N 434.256 4.675 30 10 IJEE C[C@H]1C[C@H](CNc2ccc(C#N)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2115936296 KBMZBWJUBNNOII-QWHCGFSZSA-N 426.330 4.765 30 10 IJEE CC[C@@H]1CN(c2cc(Br)cc(F)c2C#N)CC[C@@H]1NC(=O)OC(C)(C)C 2118195499 WNGHEMHZTMHWIW-WBMJQRKESA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCN2c2ccc(C#N)c(Br)c2F)CC1 2174812565 MKFDSMAOHCTXAV-UHFFFAOYSA-N 438.341 4.830 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)N(c2cc(Br)cc(C#N)c2)CCN1C(=O)OC(C)(C)C 2174818347 YQPMGJRDRCULFR-ABAIWWIYSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)NCCC1(C(=O)Nc2ccc(Br)cc2C#N)CCCC1 2181109670 HDDIKPPHFDNIBM-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCC(=O)Nc2cc(Br)ccc2C#N)C1 2203259486 RGJZEVFASVMIDH-CJNGLKHVSA-N 436.350 4.733 30 10 IJEE Cc1cccc([C@H](C#N)C(=O)c2ccc(Br)cc2I)c1 2207270751 FFOMLOCRSSAHBK-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE C=C([C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221691135 LGZQLDFNYDVMMZ-DLBZAZTESA-N 427.459 4.646 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2235734484 WNMBGIXDPKBDIW-ZHALLVOQSA-N 435.406 4.718 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)cc1 2235736518 YSCHQLOXVGBSPY-FQEVSTJZSA-N 429.358 4.786 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2296217824 YHQOABYPMFYDLR-MJGOQNOKSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)C#Cc1cccc(Br)c1)c1ccccc1 2296229990 OTHDGTYDVPYWTB-IBGZPJMESA-N 428.326 4.678 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2296267964 YUOVFBSJTLNSER-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2296268077 ABXMATJYIPWRME-XAMWDVODSA-N 435.406 4.670 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2296308279 FXWIVZZMTBPPLR-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1 2314430119 WVLMNXQZWGMQBB-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE O=C1C(=Cc2cccs2)SC(=NN=Cc2cccc([N+](=O)[O-])c2)N1Cc1ccco1 2314840846 DQVJLCNIPSOCAE-UHFFFAOYSA-N 438.490 4.756 30 10 IJEE C=C(C)CSc1nnc(C)n1N=Cc1cc(Br)c(OCCC)c(OC)c1 2321150253 JLMYZKULHQTCNK-UHFFFAOYSA-N 439.379 4.697 30 10 IJEE Cc1ccc(-n2ncc(NN=Cc3cccc(OC(C)C)c3)c(Br)c2=O)cc1 2322634605 TVKWVSNCXPLNLV-UHFFFAOYSA-N 441.329 4.537 30 10 IJEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323865237 YJWACGSTAQMQTI-UHFFFAOYSA-N 442.423 4.816 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4F)ccc3C2=O)o1 2325532110 JLGJOPPJZXYGKT-UHFFFAOYSA-N 429.350 4.639 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C=Cc1cccc(Cl)c1 2326880842 FAAOVDVSRSVSNL-UHFFFAOYSA-N 437.952 4.743 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCO)cc1 2329143281 IFPJIBZYGZVABZ-UHFFFAOYSA-N 428.989 4.786 30 10 IJEE Oc1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCCc1ccccc1 2329853549 UIEAKMMMBGUQHF-UHFFFAOYSA-N 432.524 4.931 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccco2)c1 2330549314 LEUVLGBYWSDRIC-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCCSC)c(OC)c2)c1 2330778146 JYAXEOUUTSUWAC-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CCCC2)c1 2331092473 DRTWTSQGPPDULG-UHFFFAOYSA-N 430.574 4.508 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)OCC(C)C)nnc1C1CCCC1 2331092822 RATATOJUXCSAAS-UHFFFAOYSA-N 444.601 4.898 30 10 IJEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)c(OC)c1 2331434588 AODRMIQMQVVDCE-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)C)cc1 2331669771 RFKYGZPIESGTBG-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(F)cc1 2331695181 UASGAGMDZFBHGK-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339536489 KUDIKBMDZLKMQM-LJQANCHMSA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)C#Cc3ccccc3Br)C[C@H]21 2358671956 PVYRYBVOFGBIEQ-LVOOAJGHSA-N 430.342 4.548 30 10 IJEE Cc1cc(CNc2cnc(Cl)c(Br)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369675434 IDHCIFILJVIHDC-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3ccncc3)n2)cc1 20835641 KCAHRRMUBGCYQZ-CXEIWHQESA-N 437.573 4.670 30 10 IJEE CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)ccc1O 21349680 PZJBSGHRXXQJNY-CMJOXMDJSA-N 432.476 4.751 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(O)c2)cc1OC 33324906 GLYPQCYTOJRGJD-MWTRTKDXSA-N 432.476 4.664 30 10 IJEE CC(=O)Nc1ccc(NC(=O)CSc2nc3c(cc2C#N)C[C@@H](C(C)(C)C)CC3)cc1 33467913 BAPCMWVUEHLOQM-SFHVURJKSA-N 436.581 4.793 30 10 IJEE CC[C@H](Oc1ccc(F)cc1)C(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1O 38623265 GJGMGAYJNFVQJN-IERDGZPVSA-N 434.467 4.523 30 10 IJEE C=CCOc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CC=C)cc1OC 38706039 RDDBCLOMLRNIEP-VWLOTQADSA-N 445.519 4.704 30 10 IJEE O=C(NCC#CCOc1cccc(Br)c1)Nc1ccc(Cl)c(Cl)c1 90731350 NWOOPKVJBYXRKX-UHFFFAOYSA-N 428.113 4.960 30 10 IJEE CCN1C=C(C(=O)/C=C\c2ccc(Br)cc2)[C@H](c2ccc(OC)cc2)NC1=O 102749512 UFASMALKCXKATE-WXCJZBCHSA-N 441.325 4.710 30 10 IJEE CCOc1cc(/C=N/Nc2nc(=O)[nH]nc2C(C)(C)C)ccc1OCc1cc(C)ccc1C 169899471 FDSGSKICFDZRLG-VULFUBBASA-N 449.555 4.503 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC(C)C)c(Br)c2)NC(=S)N1 169938300 NIJGWISPJLPHIW-LJQANCHMSA-N 445.382 4.912 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(N(C)C)cc1 169954162 LWTQBLFBBDOHAC-HSZRJFAPSA-N 430.479 4.983 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OC(C)C)cc1 169977903 YDDCONXQZKPXDX-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccs2)c1 169989152 PPCNECYNHNGDCF-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCC2)c1 170039434 GKBIMNAPELPJRR-QHCPKHFHSA-N 449.503 4.725 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccccc1 170056516 MANCJZXYVHTVEJ-HSZRJFAPSA-N 441.462 4.804 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccco2)cc1 170096978 XSPNPPRNNADNKX-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1 170097990 AZFMKNKBDXCEET-LJQANCHMSA-N 432.457 4.681 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(C)c1 170147811 AFURKNVJEHUUFZ-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)cc1 170214701 QVEFQOPOSWSRHB-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170285169 VMFODDIWXHQTLH-QFIPXVFZSA-N 428.444 4.943 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1C1CCCCC1 170317416 MOZUVGYJIVTZSN-FQEVSTJZSA-N 439.533 4.739 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1cccnc1)c1ccccc1 170355798 ULONDWWTQLNXTO-IBGZPJMESA-N 435.277 4.627 30 10 IJEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1ccccc1[N+](=O)[O-] 252638297 YAXXFJGEJLUTLT-UHFFFAOYSA-N 440.872 4.562 30 10 IJEE CC(=NNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)Cc1ccccc1-2 254757237 GKMTVGYKIWXRGP-UHFFFAOYSA-N 433.380 4.819 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 435766710 ZWTINAKPWDGQRR-MOPGFXCFSA-N 425.495 4.526 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC2(CCOCC2)c2ccccc21 460381908 SPPQYZDHDIASSC-UHFFFAOYSA-N 446.551 4.642 30 10 IJEE CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@H](CC#N)c1ccccc1 475641257 FQNAQLHDXPWFNR-SFHVURJKSA-N 431.458 4.968 30 10 IJEE COc1ccccc1COc1cccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1C 503627177 KCRPTQKUXOYZOT-VWLOTQADSA-N 438.524 4.783 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 520781201 LOEFWWKPWBJRPZ-JWNTYJGQSA-N 436.552 4.671 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1O 526518527 ZDUFPFCVSJFVOJ-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](c2cccs2)C1 576961487 VOQFKXWAWWTBQJ-GOSISDBHSA-N 442.610 4.795 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 579687592 FPLWFWQDTORFFF-GOSISDBHSA-N 444.366 4.805 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 582773098 DOZGPERPVPCREF-HNNXBMFYSA-N 447.008 4.932 30 10 IJEE N#Cc1cccc(CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(F)cc2)c1 586202697 JDQBNSRLFDBNIC-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE CC(C)(C)c1ccc(C(=O)NC2CCC(OS(=O)(=O)c3ccc(F)cc3)CC2)cc1 586508712 PHERSZDMSFEXCZ-UHFFFAOYSA-N 433.545 4.570 30 10 IJEE C[C@@H](CCC#N)SCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 695785320 BMSFMJFBHVKKRK-KSFYIVLOSA-N 438.549 4.794 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1COc1cccc(C=O)c1 731620540 XUTDLOHBPAXWOK-UHFFFAOYSA-N 430.460 4.815 30 10 IJEE N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CCN1C1CC1 732698680 DQOQFIABNJNHHI-MRXNPFEDSA-N 448.420 4.841 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 733201512 LCNBPVCGWQVUNV-SFHVURJKSA-N 447.894 4.602 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 743999057 LMSPNPSRCAJKNS-UZYVYHOESA-N 446.572 4.970 30 10 IJEE CCCc1c(NC(=O)C(O)(c2ccccc2)c2ccccc2)cnn1-c1cccc(C#N)c1 784711511 DIOHNAZFPQKGTD-UHFFFAOYSA-N 436.515 4.571 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 804454649 RWKJJWBPMLJUNK-HNNXBMFYSA-N 449.288 4.573 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CCc1ccc2ccccc2c1 919553211 DUVINGPYLXORFB-LJQANCHMSA-N 430.504 4.660 30 10 IJEE N#C[C@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]2[C@]1(C#N)C(=O)c1ccccc1 1076382975 JPOKHAFLHATZSZ-AFUCOJPPSA-N 447.469 4.951 30 10 IJEE C=CCc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(OC)c1OCc1ccc(F)cc1 1084203766 MSADXHXEVWFZME-OYPKHVMMSA-N 426.513 4.674 30 10 IJEE CCN(CC)C(=O)CSc1nc2ccc(N=Cc3ccc([N+](=O)[O-])cc3)cc2s1 1084307168 QYPDXRIAAXZXES-UHFFFAOYSA-N 428.539 4.916 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CO[C@@H]4CCC[C@H](C)C4)c3)cc2C1=O 1125502481 NYRLFTRNNZZERZ-LAUBAEHRSA-N 432.520 4.816 30 10 IJEE CCn1nnnc1-c1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 1126235087 FJSMKIUMDQTKRW-UHFFFAOYSA-N 444.882 4.930 30 10 IJEE C=CC[C@]1(C(=O)N=c2n(CC)c3ccccc3n2CCC)CCCN1C(=O)OC(C)(C)C 1128062536 VUPCOPSCPZCMKZ-RUZDIDTESA-N 440.588 4.646 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)CCCN1C(=O)OC(C)(C)C 1130140201 WRVIIJJEVAGFFL-QHCPKHFHSA-N 448.633 4.584 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 1136986056 FBAOPWRMWIKCPG-JOCHJYFZSA-N 442.462 4.889 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 1142866070 HLBIYKWJNKCSAI-YOOZRZFBSA-N 444.641 4.813 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCCC1 1165339749 IVABLUWHYKBSGI-PWRODBHTSA-N 434.621 4.824 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCc1ccccc1)c1ccccn1 1171655173 MRKFYWAIIQRXDO-NHCUHLMSSA-N 443.975 4.908 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(O)c(Cl)c2)nnc1-c1ccc(Cl)cc1 1176988869 STWVTXFJEFFQQF-UHFFFAOYSA-N 449.363 4.552 30 10 IJEE C#CCNC(=O)C1CCN(Cc2cc(F)ccc2Oc2ccc(Cl)c(CC)c2)CC1 1193773121 PKWJUIACTPJTJN-UHFFFAOYSA-N 428.935 4.795 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N(CCc1ccccc1)c1ccccc1 1208550875 DFOOXOIXWDXUHL-UHFFFAOYSA-N 441.350 4.759 30 10 IJEE N#Cc1c(F)cccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 1208578716 ARMFNWZNGMNWAH-HXUWFJFHSA-N 445.313 4.528 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc(F)c(Br)c1F)c1ccc(F)c(F)c1 1211575762 KOGBIRDTCLKYHR-MRXNPFEDSA-N 438.240 4.601 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1)c1ccc(Br)cc1 1219902478 HLXDEAIGBYUZMN-NNJXQSOLSA-N 427.298 4.521 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 1227480090 QAQOEPSJZUONFN-OXQOHEQNSA-N 427.372 4.775 30 10 IJEE C#C[C@H](NC(=O)N(CCN(CC)CC)Cc1ccccc1)c1ccc(Br)cc1 1230499079 QBWCZYORUKIZHR-QFIPXVFZSA-N 442.401 4.677 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@]2(CC=C)CCCN2C(=O)OC(C)(C)C)cc1 1269744054 DCTXHUJRTGVEFW-VWLOTQADSA-N 442.556 4.980 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](OCC2CC2)C1 1286338268 ALTHCJYQYDDGMI-INIZCTEOSA-N 449.418 4.578 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(CC)s1 1286433589 HSWTWBADJAILRQ-UHFFFAOYSA-N 438.984 4.646 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@H](C)C1 1286433701 JEVCZVAETCKSBV-PKTZIBPZSA-N 448.611 4.567 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1286505346 XYHJDMLHDWPSOR-UHFFFAOYSA-N 426.483 4.706 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)[C@H](C)C1CCC1 1286534245 FBCSWBNPCXXRPJ-OAHLLOKOSA-N 449.393 4.886 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1286544904 OSXFNSGGFIWEBK-SFHVURJKSA-N 443.414 4.908 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC1 1286554607 YOOMAYPSTCXBMY-PBHICJAKSA-N 437.407 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(C)cc1 1286569909 GGEHGWHIWSRHFQ-UHFFFAOYSA-N 442.405 5.000 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286631636 SJLFTULGKGYEDO-GOSISDBHSA-N 427.980 4.887 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1286638325 YTDBYWIQRBLQOA-LEWJYISDSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cc(C)ccc2OC)CC1 1286654057 COXRIBQIDKFRTE-UHFFFAOYSA-N 437.975 4.956 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1286659281 NGBTUDFRFVZGOL-RTBURBONSA-N 443.586 4.670 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286696260 YUBVYYXMLMNUME-NHCUHLMSSA-N 440.588 4.712 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1286713959 JBWKPWCKQGPRFD-PMACEKPBSA-N 426.605 4.840 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(OC)CCCC1 1286731035 XJMUHTAPIVXOCL-UHFFFAOYSA-N 425.360 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1cc(F)ccc1OC 1286749452 SLJXZKVJDRLNNS-OAQYLSRUSA-N 442.560 4.970 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](CC)Oc1ccccc1Cl 1294394717 LOXOACIWPMENKH-SFHVURJKSA-N 425.916 4.678 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 1299065038 ASJCSRXGZDJQMD-OAQYLSRUSA-N 438.963 4.630 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@](C)(CC)C1 1300344595 FBFMPHTXQDNRRB-NRFANRHFSA-N 449.368 4.656 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CCSC 1300391085 GHRHTWAWGSOXGI-CQSZACIVSA-N 439.398 4.838 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@](C)(OC)CC1 1300393534 GVKPAURIIQTCMJ-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCC(F)(F)C1 1300513225 WJSSFZZPQRTUCH-OALUTQOASA-N 444.501 4.846 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCC(c2nc3ccccc3s2)CC1 1300733744 NFMXYDDKGBSCEM-UHFFFAOYSA-N 425.627 4.762 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1300754634 UOKNWTGNMHYUSR-INIZCTEOSA-N 443.617 4.975 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C)CC1 1300851115 LZQJOSDMYPVDSA-ZDUSSCGKSA-N 425.321 4.682 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1Cc2ccccc2[C@@H]1C 1300853592 RSCLGMYONNLTMY-ZDUSSCGKSA-N 430.375 4.624 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1Cl 1300880726 KJLIXJXOYDYLLN-GHTZIAJQSA-N 425.964 4.555 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1300979773 GLWKFUKSDJDWKV-YADHBBJMSA-N 438.616 4.698 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ncc(CC)s2)CC1 1301097478 XNRPARPTUKEFIC-UYAOXDASSA-N 429.634 4.615 30 10 IJEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C)=C(C)C1 1301194338 JAAQCXYDXYQPIH-UHFFFAOYSA-N 448.659 4.546 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1Cc1cccs1 1301245408 CSCUSASOOBRBBA-OAQYLSRUSA-N 433.581 4.682 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1301282825 LNXVLMSHFPGXCJ-SFTDATJTSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1301348683 GSRAROCECVXABJ-NHCUHLMSSA-N 437.632 4.626 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1CCCN(C(C)C)C1 1301360211 XNNHARUBEZCFAI-FQEVSTJZSA-N 438.645 4.658 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCN(CC)C1 1301371490 DCBRDIZHJICRSN-FQEVSTJZSA-N 448.640 4.897 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CCOCC2)C1 1301594859 KKFDQPMXQLFWAH-OAQYLSRUSA-N 426.630 4.746 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2ccc(Br)cc2c1 1303132538 NUXSGJFGQMQHEM-LJQANCHMSA-N 445.357 4.525 30 10 IJEE C#CCC1(N[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CCC1 1308101447 QGSXWEFHWCODDI-NRFANRHFSA-N 446.532 4.934 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2CCC2CCCCC2)cc1 1310130155 DWGJNQBEHRYMOB-OAQYLSRUSA-N 433.618 4.850 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(NC(=O)NCC2(C#N)CCC2)cc(C(F)(F)F)c1 1310648069 AKAILLRGVQBISG-UHFFFAOYSA-N 426.439 4.545 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cc(Cl)cc(Br)c3)CC2)c1 1310845992 HDPOOIXKXSDQOS-UHFFFAOYSA-N 447.764 4.760 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCC[C@H]3c3ncc(Br)cn3)cc2n1 1311236364 VQIXJCNUQLILTK-SFHVURJKSA-N 441.333 4.534 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)C1 1316422298 GYICUKYLZONWKT-UGKGYDQZSA-N 427.643 4.824 30 10 IJEE C=CCOc1ccc(CC(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 1357809654 XDLRKXQZMRQKLP-RUZDIDTESA-N 444.506 4.920 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@H]1C(=C)C 1358875327 NPBWIQCZIHXMBL-YYWHXJBOSA-N 447.608 4.816 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1csc(CCc2ccccc2)n1 1358896148 XXPWOSPZGPEFAG-IBGZPJMESA-N 433.625 4.759 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1358905479 APXQELLXYXUSHH-LJQANCHMSA-N 426.008 4.713 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1358934766 MMHUJVJTIOFSNC-FOIQADDNSA-N 449.382 4.581 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1sc(C)nc1C 1358987649 NSWLFSJFXJLYRY-MRXNPFEDSA-N 449.649 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCO[C@H]1C(C)C 1359073661 ZSECLKNISIZZFR-LJGDZFJRSA-N 436.600 4.527 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1359078582 IESHOKFGUZYSGA-PBHICJAKSA-N 432.322 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1359111167 QTLGRBQIBVKODD-REWPJTCUSA-N 432.572 4.514 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359212116 ALADAYDEYHZXLF-FQEVSTJZSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCCC1(C)C 1359234951 HUNLUHVJRZOGON-VWLOTQADSA-N 436.556 4.681 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359244010 MSFWBYUPUVRFJU-SFTDATJTSA-N 425.621 4.544 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1c(C)noc1C)C1CC1 1359246739 JQTYFINYTDPBCQ-KRWDZBQOSA-N 425.508 4.560 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N[C@@H](C)c2ccccc2)C1 1359316783 WJXXNCGREQCFIC-UNMCSNQZSA-N 449.599 4.757 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)c1 1359979062 TYDIMNKVHVJYRT-YADHBBJMSA-N 438.955 4.935 30 10 IJEE C#CCN(C(=O)c1ccc(OC(C)C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1360557007 KNPBRZLJBQUMIA-HXUWFJFHSA-N 428.326 4.836 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)c1 1435004792 KTUJAKUAIHKGAV-FQEVSTJZSA-N 440.565 4.537 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](C)CC)c1 1435213781 ALZGADXNPXQLGP-IAGOWNOFSA-N 434.989 4.886 30 10 IJEE C#CCSc1ccc(COC(=O)c2cccc(F)c2I)cc1 1435908404 HIXFMFNVPKOELY-UHFFFAOYSA-N 426.250 4.513 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccccc1 1439951059 MJJCQINSHVLMSZ-JJEALCEASA-N 430.614 4.872 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 1447650902 CDPMXFSUNDGCFP-RCZVLFRGSA-N 432.520 4.745 30 10 IJEE CC1(N(Cc2ccc3c(c2)OCO3)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCC1 1456099858 GVMRDHYCWKYDRM-UHFFFAOYSA-N 431.414 4.676 30 10 IJEE O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)[C@H]1CC(c2c(F)cccc2F)=NO1 1459776724 AOGQBUFESRNIHM-CQSZACIVSA-N 436.283 4.717 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN[C@@H](CCO)c3ccccc3)c2C#N)C1 1459837713 GCFVADKXQLSPTK-RXVVDRJESA-N 439.625 4.813 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1460792827 YLECOWFFSBBFRU-AVYPCKFXSA-N 443.906 4.974 30 10 IJEE CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[C@H]1c1ccccc1 1463253032 DQLHLVUBJRWITJ-HNAYVOBHSA-N 433.371 4.525 30 10 IJEE CN(C)C(=O)c1cccc(CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)c1 1466569048 CNILRVZFKOGYJB-UHFFFAOYSA-N 430.533 4.733 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC1 1467030366 GUXTWONKBRGTRX-JOCQHMNTSA-N 438.368 4.882 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1 1478141809 LAYBSGPUABYNRX-GOSISDBHSA-N 439.556 4.837 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@H](CC)C1 1507559311 QTRGXDVYIUVDLU-DLBZAZTESA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1507578125 VTCAFKOZEANWBO-NRFANRHFSA-N 440.035 4.960 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1507580471 FWYAGHNTQCDPNP-HOTGVXAUSA-N 431.378 4.754 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnn(CC(C)C)c1C 1507682412 NTQYECCVBUZSAI-UHFFFAOYSA-N 432.616 4.911 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1507747945 JUNRQNLMXLYADH-ROUUACIJSA-N 428.671 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC(F)(F)Br 1507762198 QSSVXUXSGJBSJF-MRXNPFEDSA-N 429.696 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCCc1ccnc(C(C)(C)C)n1 1507770637 PQCPSIPEEXXGLO-AREMUKBSSA-N 434.632 4.723 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(CC)CC1 1507789626 GHJLAEINMZNCRH-UHFFFAOYSA-N 433.394 4.607 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccco1 1507797215 RRKBIRIYVXQRBD-HRAATJIYSA-N 442.947 4.818 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cc(Cl)ccn1 1507856003 CQYPWBZNFLEOMM-UHFFFAOYSA-N 440.281 4.984 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C(C)C)CC2)CC1 1507897520 JXFUJSIBKVTPFH-UHFFFAOYSA-N 440.588 4.810 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](COC(C)C)C1 1507944027 LPPAMJDMQWRQIR-KRWDZBQOSA-N 439.387 4.848 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCC2(C1)OCCO2 1507976016 WZMFXZZXTWBKKN-FQEVSTJZSA-N 440.588 4.535 30 10 IJEE CO[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1517862916 BRFWMPLESAZLQK-KNQAVFIVSA-N 446.020 4.779 30 10 IJEE C#CCOc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)c1 1521562162 JNMDGJMBDCYWHO-UHFFFAOYSA-N 437.499 4.871 30 10 IJEE CC#CCCCC(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1523435427 DMJUJTULSBGGGQ-DHIUTWEWSA-N 426.601 4.945 30 10 IJEE COc1cccc(Oc2ccc(C(=O)OCc3cc(Br)cc(C#N)c3)nc2)c1 1524918824 GQUYGUVYIVYXAZ-UHFFFAOYSA-N 439.265 4.874 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Br)c(C#N)n1 1526375602 ZHZQSKQJVXZFQA-NTMALXAHSA-N 426.192 4.656 30 10 IJEE N#Cc1ccc2c(n1)CCCN2C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 1527154302 BLJLLLHKPMCNHC-UHFFFAOYSA-N 427.291 4.827 30 10 IJEE C=CCCC1(CNC(=O)c2cc([N+](=O)[O-])cc(I)c2C)CCCC1 1528541757 PNKFRTZYVKPMPM-UHFFFAOYSA-N 442.297 4.764 30 10 IJEE C=CCOc1ccc(CC(=O)Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1 1531021028 WPCONPBTJDXGHN-UHFFFAOYSA-N 433.529 4.660 30 10 IJEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)CCCC1 1532340213 FLQPQDPXFBXSFW-HXUWFJFHSA-N 432.630 4.815 30 10 IJEE C#C[C@@H](CC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1535483122 CSZIJWKIEOUYIE-PIOKWQJESA-N 426.516 4.880 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1536282927 HKJYDLRMTJBPTD-QFIPXVFZSA-N 426.582 4.607 30 10 IJEE Cc1ccc(C(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1C#N 1537859652 HTHKNLLDPLSRRW-HXUWFJFHSA-N 426.442 4.745 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)s1 1538879216 ZTRLHWAENHOAOH-HXUWFJFHSA-N 445.592 4.850 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)C(F)(F)F 1538992327 PGXSUHGLCGGRFI-OAHLLOKOSA-N 438.494 4.789 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1539490827 ILBXOJYVJDNCNT-RTWAWAEBSA-N 431.694 4.639 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(OC(C)C)c1 1539595795 GAILASVMYAYDPF-SFHVURJKSA-N 449.393 4.504 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC(C)(C)[C@H]1C 1539623188 KQKPKGSCAUSNEG-QINHECLXSA-N 448.970 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1539635480 GUVNUTWJMLTNLW-BWKNWUBXSA-N 449.574 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1539641397 MBPFUSNBDYIONB-LANGDILFSA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCC2(C1)OCCO2 1539650789 VNILKOQLBJOTRJ-RTBURBONSA-N 444.551 4.503 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCn2ccnc2C)CC1 1539873721 BNVDNLLDSHKWHV-HXUWFJFHSA-N 434.588 4.642 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CC)C1 1540028210 LLHYDTKPFHJBFH-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCC1CCC(OC)CC1 1540136335 GTLHOMJLSYNURW-IRQNMHNUSA-N 442.579 4.709 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@H](C)C1 1540137092 PKXIUROUHKSLLO-PMACEKPBSA-N 425.596 4.998 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCCC1CCOCC1 1540142070 GXCBYFHHHOJYGC-UHFFFAOYSA-N 425.602 4.745 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCC[C@@H](C)C1 1540164940 YQTOILKLKLJYIE-HXUWFJFHSA-N 432.572 4.510 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCS2)C1 1540884697 TYQMZRVYPJISAJ-IOMROCGXSA-N 446.592 4.624 30 10 IJEE C#CCOc1ccccc1CNC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1 1543727347 FTGJZTYZUFBNOS-SANMLTNESA-N 443.543 4.654 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C 1543771805 VWMGPRQHFFBYFH-YJBOKZPZSA-N 427.570 4.602 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C#N)CC1)OC 1545962601 GHOACHILWAQLOY-IBGZPJMESA-N 439.560 4.978 30 10 IJEE COc1cc(/C=N\N=C2/S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 1554646298 ZZRWYGJIIRBPEL-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 1556378948 IWBQCKXALOEELG-UHFFFAOYSA-N 439.928 4.805 30 10 IJEE Cc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1S(=O)(=O)Nc1cccc(Cl)c1 1557942679 FFPHEHBQXWCXHS-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)CC1 1557977208 CVCJJKCJQRLQQU-UHFFFAOYSA-N 425.935 4.802 30 10 IJEE C#CCN(C(=O)/C=C/c1cc(Br)c(O)c(OC)c1)[C@H]1CCCc2ccccc21 1558542462 JUBNRVYUAZVVEB-SGWGQVFISA-N 440.337 4.716 30 10 IJEE C=CCn1c(SC[C@@H](OC)[C@@H]2CCOC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1559307988 VVXVMDFBKVXXTB-IEBWSBKVSA-N 442.606 4.763 30 10 IJEE C#CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC 1562640703 YDVNJYRMYVQKDA-FQEVSTJZSA-N 433.474 4.922 30 10 IJEE C#CCN(C(=O)Nc1ccc(I)cc1F)[C@@H]1CCCc2ccccc21 1563044554 NAKNBEAFFQKNQT-LJQANCHMSA-N 448.279 4.975 30 10 IJEE CCCc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cnn1-c1ccccc1 1583404262 AHKSPCHVOVPDAC-UHFFFAOYSA-N 430.899 4.788 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21)c1ccc(Br)cc1 1584709290 YYLAPZQBPRNHQI-INDMIFKZSA-N 445.154 4.588 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2cccs2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1585016402 SVWITBYZQDEWNW-IBGZPJMESA-N 440.590 4.603 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)[C@H]1CCCc2ccccc21 1585188925 HWLOVQYVPLNNEG-OZXSUGGESA-N 428.576 4.695 30 10 IJEE C#CCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCOc2ccc(Br)cc21 1586216463 IDERIRZIJQSQMQ-OAHLLOKOSA-N 449.688 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(OC)CCCCC1 1587561393 DUODCTRVGDICJP-ZWKOTPCHSA-N 430.980 4.879 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)c2C#N)[C@H](C)C1 1588270446 DRDCTJHTWSSGGE-ZIAGYGMSSA-N 440.569 4.978 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H](c1ccsc1)N(C)C 1588550305 MUOYKADDJWHMJG-QFIPXVFZSA-N 439.604 4.620 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H](C)c1ccccc1 1589528243 DZMROQKFZBVSLI-APTRMMRNSA-N 431.584 4.870 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1593844305 ACYWVCKOWZAVST-GOSISDBHSA-N 449.430 4.694 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(CC)C(C)C)CC1 1594023401 JFQOJJDUBZSHFO-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1594248162 XVDCUTKUPWSGKP-VWLOTQADSA-N 444.627 4.532 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC[C@@H]2CCCCO2)CC1 1594408090 DGZJMCWPFKXCFC-DEOSSOPVSA-N 438.616 4.824 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(F)(F)C1 1594650893 CSNZZQUZYWDJFW-UHFFFAOYSA-N 441.320 4.821 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCc1cccc(C)n1 1595156430 LHKPCHOHECOSKF-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(CC)CC)cc2)C1 1595728730 DAQHAGDMPFORDH-QFIPXVFZSA-N 425.621 4.543 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCCS2)C1 1595744102 JWKFSHUMLRCKTP-VXKWHMMOSA-N 426.630 4.520 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1595900621 HEDKZPREZVZIGG-NQIIRXRSSA-N 444.670 4.802 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(Br)c1 1597317162 CKQJUXMSFFWLKK-GFCCVEGCSA-N 437.787 4.505 30 10 IJEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1CCC(F)(F)CC1 1602821724 DPSGYPKTACHPOR-UHFFFAOYSA-N 446.521 4.564 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1614736634 CVBZCBDTPICFRR-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 1616400106 XFZOARHFZVLWPD-UHFFFAOYSA-N 434.496 4.607 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@H]1C 1619460254 FMXZERZITVVTCB-MJGOQNOKSA-N 425.602 4.755 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C2CC2)cs1 1620260895 BZCBHWUDYCRORG-HNNXBMFYSA-N 438.626 4.777 30 10 IJEE CC(C)Cc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C2CC2)cc1 1621728654 ADLYPUCXOSBKFS-NRFANRHFSA-N 447.398 4.949 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC)cc1Br)c1ccc(Br)cc1 1624937307 GPBSAYVJICHYSD-HNNXBMFYSA-N 438.119 4.716 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c(Br)cccc21 1626829155 WWKYBCUXLUOFJC-JKSUJKDBSA-N 443.769 4.589 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccnc(Oc2ccccc2)c1 1628574565 KEESEOHUBKNDAP-UHFFFAOYSA-N 426.476 4.554 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 1629718517 CSFJAFFHRHMOPL-UIOOFZCWSA-N 426.516 4.943 30 10 IJEE C[C@@H]1CC(=NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Br)cc23)NO1 1632205548 IBHPIKMFNCXHHZ-CYBMUJFWSA-N 426.314 4.769 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1csc(-c2sccc2Br)n1 1636632436 VSJLOQFXEKDFDQ-CQSZACIVSA-N 439.400 4.703 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1(C)C 1638023123 AXHGDRNQTUUCFT-QFIPXVFZSA-N 449.551 4.655 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1643781472 CSWYCCJTWUBJHO-VWLOTQADSA-N 445.003 4.914 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC(C)(C)[C@H]2c2cccnc2)n(Cc2ccc(F)cc2)c1C 1644003696 BANPUNDZBPSHJY-XMMPIXPASA-N 445.542 4.581 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCN(c3ccccc3Br)C2)ccc1OC 1647019553 NKHYQDKNJYEVMK-GOSISDBHSA-N 431.374 4.781 30 10 IJEE COc1cc(Cl)c(C)cc1-n1c(Sc2ccc(C#N)cn2)nc2ccccc2c1=O 1651291222 HEINDRBOYDZVCR-UHFFFAOYSA-N 434.908 4.774 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc1 1654034022 OKXRFODELPCBLT-QFIPXVFZSA-N 433.017 4.792 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1661044794 SVXKJZPMFDWPCL-IYBDPMFKSA-N 447.348 4.826 30 10 IJEE CCCN([C@@H]1C[C@@H](OCC)C12CCCC2)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1662239917 GNMUYROFKGHVMO-RTBURBONSA-N 444.519 4.716 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 1662705320 DMRORIWRZSHSFD-UHFFFAOYSA-N 425.312 4.791 30 10 IJEE Cc1csc([C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C(F)(F)F)n1 1667890709 CTAXXXPQWFRNJV-INIZCTEOSA-N 433.415 4.936 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)cc1C#N 1668188257 HHYVSBKIEXMSIC-UHFFFAOYSA-N 442.466 4.891 30 10 IJEE CC(C)(C)OC(=O)N1CC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 1668238370 CXHKXYBJRCSNRG-UHFFFAOYSA-N 442.903 4.745 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1C)c1ccc(F)c(F)c1 1668689761 RMDCNUNOALAGKR-KRWDZBQOSA-N 434.277 4.771 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 1673722017 IUBGPPFDPFAJFA-UHFFFAOYSA-N 439.943 4.736 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cccc(OCC)c1 1680562291 QXSVWKBIHPENKL-UHFFFAOYSA-N 435.337 4.927 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)NCCc3ccc(Oc4ccc(F)cc4)cc3)CCO2)c1 1680898435 BCAYHVFOHLYPOR-VWLOTQADSA-N 445.494 4.815 30 10 IJEE C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(F)c(Br)c1 1681363190 GIYBYJNNZFQHHC-AWEZNQCLSA-N 446.320 4.774 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(F)c(F)c1 1681555380 BDVWJSSZWFSBEJ-HKUYNNGSSA-N 448.819 4.985 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(F)c(F)c1 1681559770 GEWRDPHTHZDUEF-FIXSFTCYSA-N 432.486 4.794 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cccc(OC)c1OCc1ccccc1F)c1ccccc1 1683675937 IMZUJAIEBIWFBS-QHCPKHFHSA-N 432.495 4.929 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1685820513 XOZQBQHRAVLJHZ-OLZOCXBDSA-N 434.327 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC[C@H](C)C1 1689847906 KWDCSELNVCIGCO-LEWJYISDSA-N 446.599 4.570 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1689877387 XXWTTZWEQRMTQP-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)Oc1cccc(F)c1 1689950752 ABSWVSBWUORHTC-QGZVFWFLSA-N 438.572 4.952 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1ccncc1 1690192882 FMDNUCUYJBTCJI-QFQXNSOFSA-N 429.568 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1OC 1690258552 KGHFEOCZUKROAZ-HKUYNNGSSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(C(C)(C)C)n2)CC1 1690367710 ZEFIAMHNVDUQKM-UHFFFAOYSA-N 432.597 4.970 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC(C)C)CC1 1690404866 WBEXABGLRFOVPY-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(c3ccccc3OC)C2)CC1 1690412340 MMRRSBUPQADNLV-OAQYLSRUSA-N 437.632 4.804 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(COCC)cc2)CC1 1690412974 FENJTAXXUHUVNA-UHFFFAOYSA-N 437.613 4.621 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1690445429 XNRVGJCJFIREKR-URXFXBBRSA-N 449.643 4.894 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 1690509595 BDDULGJESUFTKX-HNNXBMFYSA-N 444.448 4.519 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C)C2(CCC2)C1 1690749060 PUSLSELOQIEHII-LJQANCHMSA-N 426.630 4.813 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC(C)(C)C1 1693830552 FRZMQDAJLSMRIC-GOSISDBHSA-N 435.597 4.905 30 10 IJEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)ccn1 1698372002 DLERGMPJRPPQQS-OAQYLSRUSA-N 432.597 4.854 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(N(CC)CC)nc1 1705547090 TZFWVVLNHCWBDT-UHFFFAOYSA-N 443.382 4.611 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1csc(C)c1 1705589550 RZNGVYDQRRIGDD-FQEVSTJZSA-N 448.592 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCO1 1705677092 AWUNQNLIYGFMEC-BKMJKUGQSA-N 436.600 4.716 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cn(CCCCC)nc2C)CC1 1705779164 YDQJIPNRAKJPHW-UHFFFAOYSA-N 443.599 4.963 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2CCOc2ccc(Cl)cn2)CC1 1705782930 MKYHZKBBSRZTIL-UHFFFAOYSA-N 437.975 4.707 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1Cc1cnn(C)c1C 1705868464 OQYIOWIWCSRQKC-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCC2(CC1)C(F)(F)C21CCC1)C(C)C 1705868777 AXDRESLDWGTAHZ-HXUWFJFHSA-N 447.618 4.945 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1722311412 VSTNAEMYZYEPJD-QUCCMNQESA-N 427.574 4.767 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@H](F)C1 1722379973 SNFMNWXUCMAMLC-HOCLYGCPSA-N 449.755 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC1(OC)CCCC1 1722469944 ORHBWFPZGGWLLP-LJQANCHMSA-N 449.418 4.720 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(C)(C)C 1722503965 MLXBIIMNRWTLHF-NZQKXSOJSA-N 426.605 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CCOC1 1722585047 OXLMMCMAERHJKB-INIZCTEOSA-N 433.394 4.783 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(C)C)C1 1722623879 NEQOGMDAQLTRFG-HNNXBMFYSA-N 439.423 4.844 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1(C)CC1)C1CC1 1722651818 ZFQPDTIFVJVAAC-UHFFFAOYSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H](C(C)C)N1CCCC1 1722662862 NDTCOFHNCGOBQG-JOCHJYFZSA-N 436.629 4.715 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H](C(C)C)N1CCCC1 1722662863 NDTCOFHNCGOBQG-QFIPXVFZSA-N 436.629 4.715 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1CCO[C@H](C)C1 1722678402 PTFYVFLEBYGSSJ-IAGOWNOFSA-N 436.959 4.582 30 10 IJEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCOC1CCCCCC1 1729420852 FVHZHUCZRPNWCI-UHFFFAOYSA-N 430.556 4.588 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1740568518 IGWJXZBVJZJRPW-HXUWFJFHSA-N 448.640 4.651 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H]1CCC(F)(F)C1 1740604299 WEYAZGAROPPNNG-KRWDZBQOSA-N 432.515 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccccc1OCC(F)(F)F 1740733128 CJEXDTLXFQYJKP-HSZRJFAPSA-N 446.517 4.992 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC1CCCCC1 1740760025 NQXYQRPXCMYORW-WIOPSUGQSA-N 438.616 4.875 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2csc(CC)n2)CC1 1740836530 LUIIEHJMKHPPBS-UHFFFAOYSA-N 428.993 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(CCc2ccccc2)CC1 1740851049 UNNNXFZKHRIRSK-UHFFFAOYSA-N 435.660 4.978 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(Cl)cc1 1740855347 GQNVUFQEPGTVEQ-UHFFFAOYSA-N 441.963 4.890 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H](C)CC#N 1740860682 MMUIESHYCMBAFQ-OAHLLOKOSA-N 432.366 4.811 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)C1CCCCC1 1740861419 MJKADCAIMCGGJI-UHFFFAOYSA-N 444.649 4.754 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740865394 NAYBOQWCVRRNCI-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](c1ccsc1)N(C)C 1740893036 VERBFBLYVGNGOF-SFHVURJKSA-N 446.418 4.694 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCC[C@@H]1C)C1CC1 1740907060 OIIJSGPRAZWPNG-KSFYIVLOSA-N 445.405 4.722 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1nc(C(C)C)cs1 1740922162 WVFGUJJTGRUUAN-UHFFFAOYSA-N 437.598 4.617 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@](C)(O)c1cccs1 1740936265 NJMBXCYXZDPXSM-XMMPIXPASA-N 434.565 4.742 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CCCCC2)C1 1740972582 KBEAIYSLJCYUOA-XMSQKQJNSA-N 428.552 4.919 30 10 IJEE C[C@@H]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)C1 1742997809 GOHXKNFVZQLHDI-RTWAWAEBSA-N 434.632 4.891 30 10 IJEE CCCC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(CC#N)CC2)cc1 1745115877 DGBYNZIBKINEIO-UHFFFAOYSA-N 436.604 4.784 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCCCC1 1748639726 LIRRDDFCXNHSCB-IFMALSPDSA-N 437.632 4.757 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCC1 1748876326 BOCZFBWAJCBFSG-UHFFFAOYSA-N 444.410 4.591 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(COc2ccccc2)CC1 1749131002 PGFBVUKNJYEDFB-WIOPSUGQSA-N 438.616 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1nc(C(F)(F)F)cs1 1749150259 RIIDKSIDOFYIFW-UHFFFAOYSA-N 437.491 4.880 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccccc1F 1749218000 GAKZAPAKAASZCY-INIZCTEOSA-N 429.927 4.923 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1749231377 NZUSFVPQSTWFQV-UHFFFAOYSA-N 426.605 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@](C)(O)C(C)C)CC1 1749293336 JJNAWWYPZYQXNP-VWLOTQADSA-N 436.556 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2CCOCC2)CC1 1749334343 IFDVSDODHWJRQL-UHFFFAOYSA-N 430.980 4.826 30 10 IJEE C=CCCCCn1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1749409214 SUIGBFSJZBIPHC-UHFFFAOYSA-N 429.996 4.548 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](OCC=C)C1 1749418188 ZRMJXXQEGUJNLA-SFHVURJKSA-N 431.378 4.764 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CC(=O)NC1CCCCC1 1749586901 ABWOHFGYAGZHDM-UHFFFAOYSA-N 447.583 4.531 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1750243435 FAVRTBWZYFHTCB-SLYNCCJLSA-N 425.602 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCO1 1760330991 HUWRIGOBTDSASS-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1760377448 CBZSAQXQQYSYIN-QUCCMNQESA-N 435.037 4.935 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCCS2)CC1 1760382272 MZJJBNYLURGYDL-GHTZIAJQSA-N 428.602 4.869 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1760416724 LKKJCWLDGRYTRT-QGZVFWFLSA-N 448.398 4.676 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)C)C1 1760421398 NJTDTDIGUQYGIP-IBGZPJMESA-N 429.996 4.700 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760423309 VUWJJBUBVAXYDX-OALUTQOASA-N 445.405 4.927 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1760428277 SHSDWCQJTJIWQZ-OAQYLSRUSA-N 442.579 4.828 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nccs1 1760445964 AZHARVQEYDRXQN-UHFFFAOYSA-N 425.602 4.928 30 10 IJEE C=CCCOCCn1c(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)nnc1C(C)(C)C 1760453087 NIRDAXNCZLUSFM-UHFFFAOYSA-N 449.599 4.952 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCC(OC)CC1)C1CC1 1760471094 MGEXAYXOZFVKKG-UHFFFAOYSA-N 444.023 4.643 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C(C)C)C1 1760486035 AWABKSXMPURYOE-HXUWFJFHSA-N 436.629 4.715 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H]2CCC[C@H]21)C(C)C 1760487849 FVXZFOZDBGOQFU-GMKZXUHWSA-N 434.632 4.808 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1760498865 HKWSYTYLLYBPIG-RUZDIDTESA-N 441.689 4.539 30 10 IJEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1760511703 HXSBNBZDSKXKBX-UHFFFAOYSA-N 441.576 4.509 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(F)F)C1 1760564416 YPDRAMKSJVCPLE-QGZVFWFLSA-N 444.555 4.532 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCSC1 1761518079 DAOONBJXSFQUFR-HKUYNNGSSA-N 443.592 4.830 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](F)(C#N)C1 1761553134 DKZQMCQBGMBLQG-ZHRRBRCNSA-N 433.478 4.815 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2CCSC(F)(F)F)cc1 1761863808 DHNSBJWXSROAGY-UHFFFAOYSA-N 441.548 4.872 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1 1766307011 GCEKHLDFIBLFTL-SFHVURJKSA-N 442.523 4.839 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC#N)CC1 1766596657 DJOCIGYVJVRSTK-FQEVSTJZSA-N 440.661 4.739 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(C)(C)C(C)C)cc1OC 1768503263 DUUJEMSLWULXMB-DEOSSOPVSA-N 425.577 4.775 30 10 IJEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1771383442 CYRLILSPFQDZHO-INIZCTEOSA-N 438.626 4.717 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](F)COC)CC1 1772555213 ADLMXIVZYXCYMM-IBGZPJMESA-N 441.576 4.764 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2noc3cc(Cl)ccc23)nc2ccccc12 1859657239 ZAHWICBUPFRYQC-UHFFFAOYSA-N 442.866 4.576 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1862447921 YVNOWQYRXPMAFT-LJQANCHMSA-N 427.884 4.807 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1F 1862470699 UFCDXPNKLJVYAS-QGZVFWFLSA-N 436.252 4.716 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862477908 VJGMZULQDMNURT-DEOSSOPVSA-N 445.563 4.787 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1c(F)cccc1Cl 1862592849 LLBDVNHMDIHISE-HXUWFJFHSA-N 447.890 4.578 30 10 IJEE CCCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863105608 WWIHXQXLPWOICJ-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1863173347 ORIMXTSAVIDDIN-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(Cc2ccccc2Cl)C1=O 1863306180 UQHUSCOLHLQDLG-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3ccncc3)C2=O)cc1 1863388169 HFTFTUINDMJVDT-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(Cc3ccc(F)cc3)C2=O)c1 1863495228 ISHSJSGGLJKWHO-UHFFFAOYSA-N 436.446 4.571 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1 1868962194 OABLWFKRNZTEQF-NQIIRXRSSA-N 440.971 4.576 30 10 IJEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CSCc1ccccc1 1870255518 QHTMXRZHJSLDSK-HXUWFJFHSA-N 448.588 4.724 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCCC1 1870492582 DEAWUDXQFCDNMU-UHFFFAOYSA-N 445.648 4.632 30 10 IJEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CNc1ccc(CCCC)cc1 1870794427 OVPIJAFPZOPZBT-UHFFFAOYSA-N 426.557 4.711 30 10 IJEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1871004566 LVZHEFAVWUIKBU-UHFFFAOYSA-N 428.866 4.647 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871416261 TYODEAKLMNBWBU-UUYOSTAYSA-N 445.427 4.885 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871437741 ANPQMPYUPZVGQC-AOPUEWEHSA-N 437.275 4.567 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3OC)cc(C)c2C1=O 1871458711 FYVKRFUCQDZLHU-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE CCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2cccc(OCc3ccccc3)c2)[nH]1 1871634034 FOISZWOVCJLEPL-UHFFFAOYSA-N 448.615 4.876 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872029529 BGCLTHLOPJUFGL-QFIPXVFZSA-N 444.597 4.605 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872134895 WNZNKTAVHWUEIV-NRFANRHFSA-N 444.597 4.686 30 10 IJEE Cc1cc(-c2csc([C@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)ccc1F 1872772969 VSIAOAZJWQGHIR-GOSISDBHSA-N 447.491 4.510 30 10 IJEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N3CCC(C)CC3)ncnc21 1873594334 QSUHTRJXEYVWJL-UHFFFAOYSA-N 431.584 4.606 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2/N=C/c2ccccc2Cl)cc1 1874258740 LZUDUSNCYUYDBO-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874342160 BSDGJRIYLZMANW-SSDVNMTOSA-N 443.916 4.687 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874354112 RPKMJLLLMIIZOB-ZVHZXABRSA-N 440.569 4.785 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c(OC)c1 1874458598 WVONBSCLBYNDJZ-YSURURNPSA-N 440.422 4.628 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1F 1874464337 DRIWCWPJLINABP-AFUMVMLFSA-N 449.511 4.853 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2c[nH]c3ccccc23)c1 1874488051 WNMLNTIMVKXGGR-VULFUBBASA-N 446.580 4.879 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875104372 TZDLWIGYGOXMKP-ZHACJKMWSA-N 444.487 4.646 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1875117891 WXUTYRUMQIYZFW-WLRTZDKTSA-N 447.443 4.656 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)CCOC 1875137134 XNFVQHNILDEHOC-JXMROGBWSA-N 447.325 4.994 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(Cl)c(Br)c2)c1 1891727318 OIGXXQAGYQHQAQ-UHFFFAOYSA-N 449.776 4.761 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)cc(C#N)c1 1901534227 HIALBCJVOMGCFW-DEOSSOPVSA-N 443.478 4.953 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 1912151516 IKZAXXQSKKKGCC-ZOCZFRKYSA-N 434.541 4.606 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccc(Br)cc2C#N)C1 1966310929 VXHQRBOJQOHLOJ-VQIMIIECSA-N 434.378 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CN(Cc3ccc(Br)cc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c1ccc(Cl)cc1Br)NC 2041199469 XVMGPBDXBSCNEH-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2053044560 QQVJRHXMBGALDG-ZHRRBRCNSA-N 448.568 4.901 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2079051642 IROXCWYSRLDQHO-AVVUEXNVSA-N 431.224 4.541 30 10 IJEE Cc1ccc(C(F)(F)F)cc1Cn1nc(/C=N/O)c(Br)c1C(F)(F)F 2079233338 SPKYKLSGCUALHO-RREIPUBJSA-N 430.146 4.848 30 10 IJEE CC[C@H](c1ccc(OC)cc1C)n1nc(C(C)(C)C)c(C#N)c1I 2079906077 OGDAVQIEOACYCY-MRXNPFEDSA-N 437.325 4.973 30 10 IJEE Cc1ccc(CN(Cc2ccccc2)CC2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 2095823056 GBGSARDFHWEDAF-UHFFFAOYSA-N 435.417 4.723 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Nc1ncc(Br)cc1C#N 2162332785 ATFPFFWMFXYAAA-CZUORRHYSA-N 435.366 4.601 30 10 IJEE CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(Br)cc2C#N)cc1 2162420781 ZOVIHRROAQJLRH-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2cc(Br)cc(C#N)c2)CC1 2174807545 CYSWJZGCRLGARZ-IBGZPJMESA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC1CC1)c1cc(Br)cc(C#N)c1 2174811748 BVVHDPRMVNFBNE-SFHVURJKSA-N 434.378 4.937 30 10 IJEE C#CC[C@H](C[C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196730940 CDEYUJBKTKZNFH-RLLQIKCJSA-N 436.390 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(C#N)c(Br)c3F)C[C@@H]2C1 2206330388 PJBFXSAKLIYCLM-QLFBSQMISA-N 438.341 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](N)C#Cc1ccccc1Br)c1ccccc1 2235723810 FFBYZOFKWVLTHV-AZUAARDMSA-N 429.358 4.784 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CCC1CN(C(=O)OC(C)(C)C)C1 2235729686 UFCVOEYEIJCMMS-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@H](O)C#Cc2ccccc2Br)cc1 2235743946 NJDAFHMRGWKQTQ-HXUWFJFHSA-N 430.342 4.601 30 10 IJEE CCN[C@H](C#CC(C)(C)C)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237421532 HYDKPYJRIANDEV-RTBURBONSA-N 437.422 4.913 30 10 IJEE CN(C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1(C#N)CCCCC1 2243910886 LVBGTSGEONRIAO-UHFFFAOYSA-N 445.563 4.990 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2262200118 OFOWWOKJOQQOIJ-SQJMNOBHSA-N 447.572 4.799 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2267565584 PUURHUVSYHMSDN-BHIFYINESA-N 440.437 4.666 30 10 IJEE N#Cc1cc(Br)ccc1NCCc1cccc(I)c1 2273801581 FEXWFWWXXHXDHT-UHFFFAOYSA-N 427.083 4.580 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cccc(Br)c2C#N)[C@@H](C(F)(F)F)C1 2281039197 AFHJMWZMVFXMEF-XHDPSFHLSA-N 448.283 4.745 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2cccc(Cl)c2Br)C3)OC1(C)C 2283201400 CTTSISHSOHPIHQ-CWTRNNRKSA-N 440.574 4.801 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296221565 JUXCUMSXHHEDSW-HZPDHXFCSA-N 449.311 4.624 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2296281935 QHQMZFLVYVCVAY-RXVVDRJESA-N 439.369 4.518 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2296283586 IITOYHWMLGHPGH-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H](C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2296299749 YVKWETWBGLPFFY-SMOSDQRPSA-N 435.406 4.670 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2305320354 UFNZYYURDOAHMX-JOCHJYFZSA-N 438.515 4.554 30 10 IJEE C#CCCCCC[S@](=N)(=O)c1cc(I)ccc1Br 2316471546 BRHIFHSGIPYWIS-SFHVURJKSA-N 440.144 4.653 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2317347804 CYYOXUNFTOTSIF-JLHYYAGUSA-N 429.370 4.538 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319668889 KJAULEQVQREUOF-HSZRJFAPSA-N 438.418 4.546 30 10 IJEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCCO)C4)c2ccccc21 2322095646 NMCAVYLVIPDNOY-UHFFFAOYSA-N 446.547 4.900 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)cc2)cc1OCC 2322145551 MYIQJQOWMGVIOJ-UHFFFAOYSA-N 446.960 4.869 30 10 IJEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1 2323485366 XEVPJFZJJPSHPX-UHFFFAOYSA-N 429.516 4.849 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2cccc(OC)c2)cc1OC 2323485818 RRJYMVWRZGDLBR-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC(C)=O)cc3)cc(C)c2C1=O 2323627501 GTBNQCUBWOQDQY-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])o1 2324244741 FSZGMLIDEQRBQQ-UHFFFAOYSA-N 443.358 4.728 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2324290208 MZYFBGPIWOIXMT-UHFFFAOYSA-N 431.282 4.787 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324676944 VPYPHQOHYLQOEI-UHFFFAOYSA-N 446.455 4.806 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2325235188 KNGZGNILVQATIU-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE CCc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1OC 2326216980 OYEOXOYRCIHEJJ-UHFFFAOYSA-N 431.359 4.786 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)c(Br)c1 2326731122 KJJFRTUVADSVDC-UHFFFAOYSA-N 435.322 4.622 30 10 IJEE COc1cc(C=Nn2c(CCCOc3ccccc3)nnc2SC)ccc1OC(C)C 2328710410 JIORTLCNWKZILB-UHFFFAOYSA-N 440.569 4.690 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)cc1 2329246827 CXJRGNYZYRHNNM-UHFFFAOYSA-N 429.549 4.755 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C=C(C)c1ccc(CC)cc1 2329489631 SCFLYIWWFHPNAH-VWLOTQADSA-N 434.555 4.720 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccco1 2330076181 HYQRDKSQAUDOEI-GOSISDBHSA-N 445.548 4.944 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c(O)c1 2330173624 ZNIHNCRCJWGVSP-UHFFFAOYSA-N 448.523 4.788 30 10 IJEE C[C@H]1Oc2ccc(C(=NOCc3ccc(Br)cc3F)C3CC3)cc2N(C)C1=O 2330342605 VAUKKRXCCNXXCM-GFCCVEGCSA-N 447.304 4.663 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2330689890 ANBJXOIENVDGHM-UHFFFAOYSA-N 428.444 4.984 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)c(OC)c1 2331136397 UFOPQWMXVIOTRS-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)cc1 2331510577 YHLZZTJZQVPPSC-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2ccc(F)cc2Br)OC1(C)C 2339447259 ZCPPMTHQCGUXOW-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C#Cc1cccc(N(C)Cc2ccc(I)c(Br)c2)c1 2349859258 QQZIUPOTLDWCGT-UHFFFAOYSA-N 426.095 4.671 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2cc(F)c(Br)c(F)c2)OC1(C)C 2364933527 RRLJLBWOIBZSDQ-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE Cc1cc(CN(C)Cc2csc(Br)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369730158 VXPZVOVVZVWKON-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1[N+](=O)[O-] 21254659 MMKGMJMSTWBPTO-AZUAARDMSA-N 434.492 4.695 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(SC)cc2)cc1OC 21256772 BEKXMDZMYDQKBZ-IEBWSBKVSA-N 437.561 4.820 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)c1 33445828 WJETUJQQVQMNMQ-XMMPIXPASA-N 442.515 4.992 30 10 IJEE C=CCc1ccccc1OCCCn1c(CCNC(=O)c2cccnc2)nc2ccccc21 40181316 TVNBCIOIOXOSEH-UHFFFAOYSA-N 440.547 4.601 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC)c4)c3C)C2=O)cc1 41287475 MLVXKDGISGZNFD-XKZIYDEJSA-N 444.439 4.626 30 10 IJEE Cc1cc(C(=O)CSc2n[nH]c(NN=C3CCCCCC3)n2)ccc1Br 59311252 SGDXOQZFSDLTNR-UHFFFAOYSA-N 436.379 4.973 30 10 IJEE C=C(C)COc1ccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 66092314 OYVCVGZYNLUNPS-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1 110330291 OIUVGBDUWFNQEL-MYXKAAJQSA-N 443.499 4.937 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 169985121 ASMNQLNXLLXSOV-OAQYLSRUSA-N 449.484 4.658 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccnc2)cc1Cl 170008917 UBVQQWPPYLUQRT-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc2ccccc12 170045843 KAJUQCGQAMUYBO-XMMPIXPASA-N 445.515 4.772 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc2ccccc12 170046488 DQZOYFJWBONENE-QFIPXVFZSA-N 434.923 4.633 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(F)cc2)cc1 170064029 IRGJUAHDMQSBDP-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2c[nH]c3ccccc23)cc1C 170077430 KCGDRAGZUCNHPZ-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccco1)c1cc2ccccc2o1 170099195 OBSBRYTWITYEKY-FQEVSTJZSA-N 443.390 4.824 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)c1 170119268 PCBCRXWJCFUURO-NRFANRHFSA-N 436.464 4.514 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)c1 170175176 XETHMPLBWXJGIV-QHCPKHFHSA-N 444.487 4.666 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccnc1 170197364 CHEQQCIXKIAJOW-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)ccc1OC(C)C 170231054 GFFISBKJORYIJT-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccco1 170292190 XGVBVMFNUIXGBK-GOSISDBHSA-N 427.840 4.622 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301626 BRMCFVYWPIUGDH-QHCPKHFHSA-N 445.471 4.759 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCC 406890874 GLLMBAWJFWLVGK-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE N#CC1CCC(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1 442971939 JEIAFUBHFYVFGJ-UHFFFAOYSA-N 425.326 4.740 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cc(C)on1 508802764 SPKYKZTXQZFWKI-UHFFFAOYSA-N 436.343 4.715 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526817500 OKOFPDAXHAZHCW-YVNNLAQVSA-N 449.895 4.724 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 538451666 NISZFMMJTJQFFU-UHFFFAOYSA-N 438.549 4.862 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 555244777 SFDPDIOPSQXUQA-UHFFFAOYSA-N 435.959 4.573 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 555264935 ZDSHHUGNJAMTPG-QZTJIDSGSA-N 431.378 4.537 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(c2ccnn2C)CC1 580219888 ITXXUVXBWOYOAC-KRWDZBQOSA-N 440.979 4.765 30 10 IJEE N#Cc1cccc(CN(Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 586116361 PSRIFECXNSSUAH-UHFFFAOYSA-N 430.451 4.968 30 10 IJEE N#C[C@H]1CN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2Cc2ccccc2)CCO1 619818959 NGOYYTNLKIHCRU-FQEVSTJZSA-N 445.523 4.590 30 10 IJEE CCCN[C@H](CC#CC(C)(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693698924 UWTYVSLASLGFLC-YIXXDRMTSA-N 441.660 4.964 30 10 IJEE C[C@@H](C#CC(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C/C1=CCC[C@@H]([N+](=O)[O-])C1 725424134 DBVXCYXESDPNAF-QLJJBIFNSA-N 444.487 4.598 30 10 IJEE C=CCCCN(C)C(=O)c1ccc(Br)cc1NC(=O)c1ccc(OC)cc1 736577549 JFVCPIORWWDIFU-UHFFFAOYSA-N 431.330 4.748 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)c1=S 742160219 VROIEPSSTBGXDG-IIBYNOLFSA-N 442.535 4.965 30 10 IJEE CC(=O)c1cccc(O[C@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 745313889 ZHZGRJFCJSJVBA-CJNGLKHVSA-N 426.444 4.935 30 10 IJEE O=C(C[C@H]1SC(=Nc2ccsc2)N(CCOCC2CCC2)C1=O)Nc1ccccc1 790720547 KPNCDSGZRSWNKF-LJQANCHMSA-N 443.594 4.525 30 10 IJEE CC(=NNc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1cccs1 1084020921 YQNWIDMPMVNPOZ-UHFFFAOYSA-N 431.934 4.698 30 10 IJEE CC(=O)N[C@H](C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1cccc(Br)c1 1124498995 GKVRYXVGEGEHLV-QFIPXVFZSA-N 449.304 4.771 30 10 IJEE Cc1nc(SCC(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c(C#N)c(C)c1C 1129160982 BNRMLVJTZRNMSS-UHFFFAOYSA-N 443.576 4.567 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3cc(OC)c(Cl)cc3C2)CCCN1C(=O)OC(C)(C)C 1129440259 ZIOQTMDRSAWBFV-HSZRJFAPSA-N 434.964 4.579 30 10 IJEE C[C@H](c1ccccc1)N(C(=O)COc1ccc(C#N)c(Br)c1)c1ccccn1 1132738807 BGKIWBOWAJKDPM-MRXNPFEDSA-N 436.309 4.889 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1133221070 ZKHZUCQKYHVYNS-JOCHJYFZSA-N 440.584 4.778 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccccc1 1134861921 KNXDCUQGSZZTRR-QTEAWJPNSA-N 432.586 4.653 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)c1C#N 1141632505 FDFXZYCUMGJZDL-KRWDZBQOSA-N 434.609 4.714 30 10 IJEE O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 1154403805 FMVREQGIYIELJR-GOSISDBHSA-N 448.382 4.886 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1)C(C)(C)C 1160298439 YNQGWNWVEQWUDF-QFIPXVFZSA-N 440.609 4.871 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3cc(Br)ccc3C#N)CC2)C1 1163426598 CARPJGTYPKGMOE-QGZVFWFLSA-N 434.378 4.794 30 10 IJEE C=CCN(CC(=O)NCc1ccc(CC)s1)Cc1cc(Br)ccc1F 1167291237 JIGUQQNVSQTHMH-UHFFFAOYSA-N 425.367 4.517 30 10 IJEE C#CCC1(NCC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)CCC1 1176381016 IRNXFYOOUNQBRG-UHFFFAOYSA-N 430.957 4.719 30 10 IJEE C=CCOc1c(Cl)cc(CN(CCO)Cc2ccc(Br)s2)cc1OC 1181419264 XRRIFLGUGNPHSK-UHFFFAOYSA-N 446.794 4.732 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 1208481020 GDRDIBWCDBNDBL-UHFFFAOYSA-N 436.508 4.630 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)c1ccccc1 1213548568 FTFPOAPAJXRCOJ-SFHVURJKSA-N 425.909 4.642 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1214807759 GRPIHDIKEGOBAU-XXLITOKFSA-N 446.617 4.536 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(Cc2nc(C(=O)OCC)cs2)CC1)c1ccccc1 1224522987 QYSRSNFYAHCWMF-FQEVSTJZSA-N 441.597 4.991 30 10 IJEE Cc1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c(OCCC(C)C)c1 1230020414 HTLKYDCPBOTCCP-UHFFFAOYSA-N 434.584 4.714 30 10 IJEE C#CC[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1 1230566208 QBGSEUWBJHVYAJ-OYUWMTPXSA-N 441.550 4.858 30 10 IJEE Cc1nc(NC(=O)c2ccc(Br)c(OC(C)C)c2)sc1SCC#N 1264624244 HHNCQOLYSWYZSR-UHFFFAOYSA-N 426.361 4.869 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1275447450 HWJRCDOHFFRJPB-NRFANRHFSA-N 426.944 4.854 30 10 IJEE COc1ccc(-c2ccnc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)n2)cc1 1278845969 DDPSHCPUHIMYHZ-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](CN(CC)CC)C1 1286339262 LDSDIWRNFGFYEY-HXUWFJFHSA-N 439.673 4.857 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC(C)(C)N1CCC[C@H](C)C1 1286455290 UDSBSTYKONDWLC-FQEVSTJZSA-N 439.623 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@H]1C 1286566918 KINONWAJPIFBJB-IFMALSPDSA-N 425.621 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)C1CC1 1286567823 XURILSZVFWMYAA-OAQYLSRUSA-N 433.394 4.579 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCC[C@@H]1C 1286567899 YDMKBVYJWSXAIM-JTSKRJEESA-N 447.421 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1286674840 WYNOXPBJSOZTFY-INIZCTEOSA-N 433.532 4.756 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286682215 HJKYPDZURXDYFL-OAQYLSRUSA-N 439.604 4.967 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1286738830 FRPNARJFXBUXSN-IRMYBRCSSA-N 443.680 4.720 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)[C@@H](C)CC 1286746733 DXKFVQAZLMUQFP-XZOYJPPVSA-N 430.568 4.649 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1cccc(C(F)(F)F)n1 1286758114 DWSQFHGYIVBJNI-UHFFFAOYSA-N 431.437 4.649 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)OC1CCCC1 1286826301 DGNINLWVVCTOCY-UHFFFAOYSA-N 443.436 4.999 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3ccccc3n2CC(F)(F)F)cc(OC)c1OC 1292305734 YQSGAPXNGCZSEP-UHFFFAOYSA-N 432.442 4.879 30 10 IJEE C=CC[C@@H]1N(C(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCCC1(C)C 1297187090 WIOSQJXDWRIAQN-NRFANRHFSA-N 439.625 4.783 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 1299171504 ZNGKEIBHIWXJIJ-CYBMUJFWSA-N 439.350 4.740 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OC)C1 1300372604 JMJSBZZEDIVWHR-KRWDZBQOSA-N 437.371 4.583 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1300385730 DDELJZWPEAYLCE-PKTZIBPZSA-N 431.584 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@@H](C)C1 1300797963 IUJMBWCRQJLXLY-GSHUGGBRSA-N 443.389 4.515 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccc(C)o1 1300935526 VEVOEUDYZSUKGG-UHFFFAOYSA-N 431.334 4.830 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CC2CCN(CCC(C)C)CC2)CC1 1301087349 DCXIYPWZHULHLV-UHFFFAOYSA-N 439.623 4.923 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1301175642 GUPICFJEOYSIBZ-FQEVSTJZSA-N 442.629 4.864 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1301229712 YHBKWHRMNIDDLM-NRFANRHFSA-N 440.567 4.517 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccc(F)cc1 1301270935 QXOQCCAZWFRTOQ-UHFFFAOYSA-N 432.341 4.775 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1c(C)noc1C 1301373140 SXKMQPHYPRWISI-UHFFFAOYSA-N 428.334 4.539 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)cc1Cl 1301411060 RZNFYJJGXBSYPD-GOSISDBHSA-N 444.938 4.645 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1CC1CC(F)(F)C1 1301412602 FMUIWPKIRLLVJG-UHFFFAOYSA-N 430.474 4.881 30 10 IJEE C=CCSCCn1c(N2CC[C@@](C)(CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301621017 OUTBHEABBDAJRI-IEGUWTFLSA-N 449.665 4.594 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCOCc1ccccc1 1311592902 SROGFNQGMCDOMR-UHFFFAOYSA-N 435.337 4.893 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1312270271 JDEUNLSXFKSOPU-UYAOXDASSA-N 431.577 4.535 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccc(Br)cc1 1312936799 LLMACMITLRPPLQ-IEBWSBKVSA-N 433.371 4.576 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(n2ncc(C(=O)OCC)c2C)CC1)c1ccccc1 1313220800 XKFAMYHBFHMWDN-QHCPKHFHSA-N 438.572 4.812 30 10 IJEE C=CCN(C(=O)c1cc(F)c(N2CCOCC2)c(F)c1)c1nc(-c2ccccc2)cs1 1348496543 BUZQMPABFJCORB-UHFFFAOYSA-N 441.503 4.758 30 10 IJEE CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1csc(C#N)c1 1351027554 GLFIDBYFPXGUNR-UHFFFAOYSA-N 442.518 4.794 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COC(c1ccccc1)c1ccccc1 1352520684 KZTXZLLWXBTZBA-UHFFFAOYSA-N 446.499 4.922 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccnn2Cc2ccsc2)s1 1353513160 FJKNJOCOSVNBDQ-UHFFFAOYSA-N 425.004 4.784 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1358921778 IUVINLJKBKYADK-SJLPKXTDSA-N 438.373 4.832 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCC[C@@H]1C 1358973452 SEAKUSPVHJNHEN-SFTDATJTSA-N 428.536 4.626 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@@H](C)C1 1358982539 APFONZALFLAFSX-IAGOWNOFSA-N 431.367 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1359091403 MXTLHVZWQFXVIG-YVCBRDFCSA-N 446.542 4.629 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@](C)(OC)C1 1359128771 FQUALMYDUUTXON-RUZDIDTESA-N 426.605 4.841 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1359149774 HZLOUVIYYANBQR-MSOLQXFVSA-N 441.334 4.643 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1359149776 HZLOUVIYYANBQR-ROUUACIJSA-N 441.334 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C)CCCC)CC1 1359161569 IWEQALDMYHGNCV-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1359162439 QNAPJRGCCLQXNF-VQTJNVASSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccs2)CC1 1359175006 WOJLCXJCNDJUFC-UHFFFAOYSA-N 432.391 4.742 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359201258 IEWMDMOMSXFADQ-BEFAXECRSA-N 433.478 4.939 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1359203906 YGNPYSTYZYKAHL-QFIPXVFZSA-N 444.023 4.852 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359212351 JEQSDGARTMGWOV-IBGZPJMESA-N 425.577 4.665 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@H]1C)C1CC1 1359250307 HDOMFGNUPBUJQM-XUVXKRRUSA-N 443.636 4.984 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC1(F)F 1359275474 VEDYMVRLRJGDOC-NHCUHLMSSA-N 430.543 4.843 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=C)Br 1359278867 JQAPBJOHCPPZJL-UHFFFAOYSA-N 433.394 4.790 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)c1 1359822139 DAJXKUTZSSTEQH-LJQANCHMSA-N 442.581 4.765 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(CC)c1)[C@H](Cc1ccccc1)C(=O)OCC 1435900841 QJMBYSAJPGYOCT-OAQYLSRUSA-N 444.369 4.814 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCOc3ccc(Br)cc32)cc1 1435924632 HDEHMGODXXTDNA-UHFFFAOYSA-N 449.304 4.939 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 1436232930 DUWJXECYMVEUKM-UHFFFAOYSA-N 428.941 4.551 30 10 IJEE C#C[C@H](NC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1436649514 TVGOMVBHDWLDST-SQJMNOBHSA-N 438.955 4.709 30 10 IJEE C=CCc1cc(C(=O)Nc2cnc(Br)c3ccccc23)cc(OC)c1OC 1438076624 ZPXQHJFVOSUQFZ-UHFFFAOYSA-N 427.298 4.995 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CN(C(=O)OC(C)(C)C)C1 1440390550 BPYSFDBIGPZOEV-KRWDZBQOSA-N 441.597 4.816 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1 1458258509 ZSGSAAXGYBAMON-TZMCWYRMSA-N 426.330 4.589 30 10 IJEE C#CCN(Cc1nc2cc(Cl)ccc2n1C)[C@@H]1CCOc2ccc(Br)cc21 1459508985 IIXSMRYCJPMKSX-GOSISDBHSA-N 444.760 4.948 30 10 IJEE N#Cc1cc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1OC(F)(F)F 1459528158 ATOXFCQRIBVXTQ-UHFFFAOYSA-N 440.303 4.914 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1461530976 QSJPIYGEWBAHBP-DNVCBOLYSA-N 449.473 4.933 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H](c3cccc(F)c3)OCC2(C)C)cc1OC 1461604186 FPNYYVKKBPZVLU-JBOJMBJVSA-N 425.500 4.791 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)cc(OC)c1OC 1464560276 WXOLFGSPNGYDMH-UHFFFAOYSA-N 444.503 4.848 30 10 IJEE CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 1466342514 CSEHUJHOIKJOJQ-UHFFFAOYSA-N 434.418 4.763 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(CC)(N2CCCC2)CC1 1466817102 VVGUOWPKYVNNGZ-UHFFFAOYSA-N 436.394 4.886 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC[C@@H](C)CC 1468497083 KMJYFHCALZXSIT-UUOWRZLLSA-N 436.552 4.954 30 10 IJEE C#C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)C1 1469518142 CBNMMMHVOMUTLY-QGZVFWFLSA-N 436.968 4.552 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1470076283 NANJMDULSVNQQP-UYAOXDASSA-N 446.378 4.975 30 10 IJEE CC1(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CN(C(=O)OC(C)(C)C)C1 1472385004 BNFDKKVXLGQBMF-UHFFFAOYSA-N 441.915 4.743 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3c(F)cccc3F)C2=O)nnc1-c1ccc(Cl)cc1 1472921252 DHZSWPVQIRNZKF-KRWDZBQOSA-N 446.910 4.960 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507522214 UNMWWUSPIGUWOJ-YHUYYLMFSA-N 431.353 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1507522282 UVOLTUUZRGWYOO-ROUUACIJSA-N 445.558 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC(C)C)nc1 1507524974 YCLODZORNQBFMS-SFHVURJKSA-N 449.624 4.964 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N1CCC[C@H](C)C1 1507681511 YHGFHDOVXQRPCU-VQTJNVASSA-N 439.673 4.855 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1507787145 CJDKGFRNMZXPJS-MSOLQXFVSA-N 437.426 4.703 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 1507795773 KBUKTMWQDLZCNP-CTNGQTDRSA-N 444.023 4.500 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCc2ccccc21 1507856849 FMWSCCSYJOLEJI-QGZVFWFLSA-N 446.780 4.922 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1507877571 DAISMEMGUDQJNE-QGZVFWFLSA-N 432.515 4.944 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(CC)CCC2)CC1 1507890443 NIYFBRUBXKNUKN-KDURUIRLSA-N 429.609 4.786 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507899527 KRCGXLPRSRMRPF-FQEVSTJZSA-N 439.604 4.959 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C)=C(C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1507927721 BXKKIBYKNDWGSM-BVAGGSTKSA-N 436.600 4.837 30 10 IJEE C=CCCCCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1507937248 OLKSWBBQBRCQED-QFIPXVFZSA-N 449.643 4.798 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCOCc1ccccc1 1507975118 NVSZXHVJCMZOHH-UHFFFAOYSA-N 433.375 4.608 30 10 IJEE C=CCN(c1nnc(CCc2ccccc2)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1507996760 ZXFQYNWEKSVBCA-UHFFFAOYSA-N 441.501 4.875 30 10 IJEE C=CCN(C(=O)CSc1nc2ccccc2s1)[C@@H](Cc1ccccc1)C(=O)OCC 1522165052 FRHZIWDGQFUPJE-IBGZPJMESA-N 440.590 4.577 30 10 IJEE C=CCc1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc(OC)c1OC 1523539271 RZZRCDUZIOEJCN-UHFFFAOYSA-N 433.892 4.996 30 10 IJEE N#Cc1cccc(NC(=O)c2cccnc2OCc2ccccc2F)c1Br 1525919635 AFBGQPWAMACBDU-UHFFFAOYSA-N 426.245 4.686 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)cc1OC 1526375722 XKMOGBNOBRHBDU-QXFGJRORSA-N 431.573 4.926 30 10 IJEE COC(=O)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccc(F)c(C)c1 1528172792 GHUISANXVMBDDU-HSZRJFAPSA-N 432.451 4.751 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)cc1 1529596953 WQQBNJSWGHRLER-UHFFFAOYSA-N 435.545 4.548 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)s1 1531373355 QEGPYPAQYMIKPM-SFHVURJKSA-N 439.002 4.812 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(-c3ccccc3OC)nc2O)C(F)(F)F)cc1 1532570616 WSYSBYUQBMWEIG-FQEVSTJZSA-N 427.378 4.905 30 10 IJEE CCCCN1C(=O)CC[C@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)[C@H]1c1ccccc1OC 1533618606 DKRMQKGYHCEXKJ-WSUBETFTSA-N 434.536 4.951 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)OCc2ccn(-c3c(F)cccc3F)n2)c1 1537465615 FGNCLCTXDPDQPC-UHFFFAOYSA-N 445.425 4.958 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 1537949916 MMGVFRVHYRZUCV-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCc1csc(CC)n1 1539034646 HILNFASTTVTHBQ-KRWDZBQOSA-N 425.627 4.598 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1c(C)noc1C 1539343288 IVBZKNPDSSOQNQ-YJBOKZPZSA-N 441.963 4.940 30 10 IJEE C=C(C)COCCn1c(N2CCc3cc(OCC)c(OCC)cc3C2)nnc1C(C)(C)C 1539759912 OASVSFXFLIISDH-UHFFFAOYSA-N 442.604 4.528 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1539824450 UFURKYCWMDXZEU-CHWSQXEVSA-N 447.914 4.741 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1539873804 DQBBYVFQMCYKQY-YTZAWJCFSA-N 428.552 4.511 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Sc2ccccc2)CC1 1539898317 RIUHGNVICNUBKY-HXUWFJFHSA-N 436.629 4.723 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OC(C)C)CC1)c1ccccc1 1539940628 TXFYGKLIEOFQEI-XZOQPEGZSA-N 438.616 4.926 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1539948181 OOBFLEGJDKMLGD-UKILVPOCSA-N 449.643 4.723 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCSC1(C)C 1540048570 YRFHTQXMSPNBCQ-ZWKOTPCHSA-N 430.618 4.971 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1540081275 XEMDJKGCHUBXQE-UHFFFAOYSA-N 445.329 4.633 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1Cc1cccnc1OCC(F)(F)F)C1CC1 1540114007 GMTXAGYLOOXVSR-UHFFFAOYSA-N 435.494 4.550 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CC(F)(F)Br 1540137077 PAZJKBSLQQXSNJ-UHFFFAOYSA-N 431.300 4.796 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1540158957 UOTSKNXDOQSMAN-QGZVFWFLSA-N 445.995 4.938 30 10 IJEE CC(C)COc1ccc(C2(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CCC2)cc1 1540550023 FSKJJRXXGMCTQX-RUZDIDTESA-N 449.570 4.691 30 10 IJEE CC(C)N(CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)C(C)C 1541618760 GATAKSTUGHEMGF-UHFFFAOYSA-N 447.631 4.599 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)s1 1546247566 BNMGEFFECGJLLJ-IVZQSRNASA-N 443.523 4.671 30 10 IJEE C=CC[C@H](C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1556376737 CKXABOVRKIGCPV-FQEVSTJZSA-N 431.458 4.741 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H](c1ccccc1)c1ncc[nH]1 1557127974 BWRAURQQDFEWTE-JXFKEZNVSA-N 426.442 4.891 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCN([C@@H](C#N)c2ccccc2)CC1 1559613566 BIBVMVGCPKPMST-OFVILXPXSA-N 440.547 4.688 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 1562153634 UWKBSNWKEIPQKR-UHFFFAOYSA-N 426.339 4.799 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc(Cl)cc1 1563436462 CDRYPMUXOCTDIT-VQTJNVASSA-N 434.342 4.943 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(OC)ccc1Br)c1ccc(Cl)cc1F 1565001797 DAAWRDUBCMEFME-GOSISDBHSA-N 439.712 4.766 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 1569724626 AXXSTXZTHCGDHN-ZWKOTPCHSA-N 449.979 4.526 30 10 IJEE CCCc1c(C(=O)Nc2nc3cc(C#N)ccc3n2CC)nnn1-c1cccc(C(C)C)c1 1584055544 FHVLNHTTWIDFKA-UHFFFAOYSA-N 441.539 4.837 30 10 IJEE C#CCN(C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)[C@@H]1CCCc2ccccc21 1585189166 KYOGVUZODLHGHH-AREMUKBSSA-N 443.568 4.814 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1587884332 VHIYDTIAOOCOAX-GOTSBHOMSA-N 436.600 4.850 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc2c(n1)CCCC2 1588016826 WURCLOATLLIISV-UHFFFAOYSA-N 443.595 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCNc1ncc(Cl)cc1Cl 1589232951 BOOCENPZPZZSQV-JOCHJYFZSA-N 447.414 4.817 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC=C(C(C)(C)C)CC1 1589434330 CZOOJXWZPHUSPF-UHFFFAOYSA-N 445.405 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)c1cccs1 1589676481 XFLZZAZJXURWID-DEOSSOPVSA-N 435.597 4.653 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN(C(C)C)C(C)C)CC1 1594035129 DTHQCYZWNMPEOO-UHFFFAOYSA-N 426.565 4.519 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](CNC(C)=O)C1 1594697469 CJFKVHAWZMFFPC-INIZCTEOSA-N 436.387 4.571 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1)c1ccccc1 1597390241 YSQPKOITFDETIM-HNNXBMFYSA-N 433.321 4.723 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1616877846 BIPHQUNVDSOLLY-SFHVURJKSA-N 434.536 4.687 30 10 IJEE COCc1ccc([C@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)o1 1619658080 GGHSNIBIIUJGMA-JOCHJYFZSA-N 449.555 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ccc(F)cc2C#N)C1 1620320448 CMYMYEZUOPEIRI-FGZHOGPDSA-N 427.495 4.719 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(Br)cc1C(F)(F)F 1623169323 RWNJVHYYWRNZHV-UHFFFAOYSA-N 445.210 4.941 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1)C(C)C 1628517488 UMELAOSMEXNKHF-SFTDATJTSA-N 434.422 4.994 30 10 IJEE COc1ccc([C@@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)c2c[nH]c3ccccc23)cc1 1629300561 HBXVVFKEUARZRX-XMMPIXPASA-N 438.531 4.676 30 10 IJEE C=CC1CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 1633600564 RMUDNNMHQJKTFG-OAQYLSRUSA-N 437.378 4.614 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 1634600011 BCPWJWHFKJZYNO-FPOVZHCZSA-N 440.588 4.525 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1OC 1635056409 ACDRYVOQIZXZGG-ZAHGZRRWSA-N 448.485 4.711 30 10 IJEE C=C[C@](C)(CC)C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1636156614 AVVJOEIOGFQBQQ-XMMPIXPASA-N 428.573 4.780 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 1642540877 NQFIZXYNXVEQGO-HSZRJFAPSA-N 434.561 4.713 30 10 IJEE C#CCN(c1cc(CC)nc(-c2ccncc2)n1)[C@@H]1CCOc2ccc(Br)cc21 1650757682 YSBOCBBPNLJADF-HXUWFJFHSA-N 449.352 4.827 30 10 IJEE C=CC[C@H]1N(CC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)CCCC1(C)C 1654318269 QYLYTYFQTYMEFE-HSZRJFAPSA-N 435.568 4.953 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](O)c1cc(Cl)cc(Cl)c1 1655613980 BSXKQOXDAVPZFP-KRWDZBQOSA-N 429.141 4.591 30 10 IJEE C#CCN(C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)[C@H]1CCCc2ccccc21 1658477957 QMMYKSOQUCJDJK-NRFANRHFSA-N 439.441 4.831 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)c1 1659226774 UEPGUUKXMQZNLU-HSZRJFAPSA-N 430.504 4.821 30 10 IJEE C#CCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCCc2ccccc21 1660323714 IWXAKXKPPVKICP-RUZDIDTESA-N 426.564 4.831 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cccc(C(=O)N2CCCCC2)c1 1661816166 PQZJGLXYHSKKGC-UHFFFAOYSA-N 427.342 4.699 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 1662472442 VCZQYDNOOTYGFA-XMMPIXPASA-N 434.561 4.778 30 10 IJEE CC(=O)N(c1cccc(Cl)c1)c1nc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cs1 1665186250 ZPOPWMNQCPDPTR-OAQYLSRUSA-N 440.956 4.518 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)cc1 1669083861 BCDZXDLYTPBWBC-UHFFFAOYSA-N 443.341 4.674 30 10 IJEE Cc1ccc(OCc2ccccc2)c(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1670654305 FVOXUKNHFLSGQC-UHFFFAOYSA-N 444.510 4.939 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 1672708257 IVJFLGJYARCWDR-INIZCTEOSA-N 425.710 4.522 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C)c1 1673292032 SXKXGPASEXPQSS-UHFFFAOYSA-N 432.524 4.620 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 1677287383 DCBACNNHGAEHNA-INIZCTEOSA-N 448.633 4.546 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 1677494165 YNXLRUJEPIQLRX-IIBYNOLFSA-N 440.401 4.796 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 1679423146 QADPTMZGMJLSGH-CTNGQTDRSA-N 449.979 4.989 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(Br)cc1 1682356219 CMPCEOWPGKIABI-FQEVSTJZSA-N 437.341 4.589 30 10 IJEE C=C(C)CCNC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 1682686073 WCJAURNQOXTRAQ-FQEVSTJZSA-N 431.536 4.926 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)cc1 1682742514 LBJSAALGSBNZGO-HXUWFJFHSA-N 443.341 4.516 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 1684418950 AAMCGRDVUCEKNJ-ZVDOUQERSA-N 426.923 4.539 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1689878760 UDGZUCPIMLSGNZ-ZWKOTPCHSA-N 444.421 4.866 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCO[C@@H]1CCCC[C@H]1C 1689947568 IBBNKEAZZGOJEY-LVCYWYKZSA-N 430.980 4.736 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1690296894 UYUNSDVYWMJOKH-SFTDATJTSA-N 442.629 4.939 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCOCC2CC2)CC1 1690366328 XISVFETWBDMTPJ-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1690394488 BHFHPPDLGJYDCT-FUHWJXTLSA-N 441.542 4.893 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OCCCC)CC1 1690412011 ZZYSGJNGBTXUAV-NRFANRHFSA-N 425.577 4.544 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCC(OC)CC2)CC1 1690417100 DXLZSTJFBAALCO-LIKPIUCQSA-N 430.637 4.804 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690457569 ZLPXJLYWIKYCHI-FQEVSTJZSA-N 448.571 4.565 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC(F)C1 1690492415 VFXWOWSXYOFZGD-UHFFFAOYSA-N 437.357 4.770 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CCC1(F)CCC1 1690556462 XMVULBUIHCKFMM-HXUWFJFHSA-N 428.552 4.656 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690736207 WSTWVLLJLMEGPJ-QZTJIDSGSA-N 440.535 4.507 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2CC2C[C@@H](C)O[C@H](C)C2)cc1 1693157871 CXDYMXUFKBBBRP-GUDVDZBRSA-N 427.618 4.821 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc(Br)cc2C1 1705516255 WVOOQEUUEQBGFQ-FQEVSTJZSA-N 443.389 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705544781 DGHNHMTXTPDRLA-XUVXKRRUSA-N 439.673 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=C)Br 1705592634 OWCNQZUGABTPSC-UHFFFAOYSA-N 425.374 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(CC)CC1 1705592719 RQIDZJHMKVMFBY-UHFFFAOYSA-N 428.536 4.770 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H]1OC 1705621062 PXMSURZQVJNSNS-IRLDBZIGSA-N 438.572 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@H]1CCOC1 1705677615 VVSWPGDLTCOUBB-QFQXNSOFSA-N 436.600 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CC1CCC1 1705697131 KKIZTIAKCUACNG-APWZRJJASA-N 448.409 4.643 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C2CC(C(C)(C)C)C2)CC1 1705784325 QDLXQQHNBXAZGK-UHFFFAOYSA-N 427.618 4.669 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705815014 IJSFJCAGRPQEPG-GMAHTHKFSA-N 432.616 4.874 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CC)C1 1705817047 BHLVKIQXCXJAJT-PMACEKPBSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCSC2)C1 1705824233 JUXBMWDCEWXOPN-MBSDFSHPSA-N 447.649 4.650 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705838194 GNUSYUKQLIQRPN-REPLKXPHSA-N 428.577 4.567 30 10 IJEE C=CCN(c1nnc(-c2cccc3cccnc23)n1CCCNC(=O)OC(C)(C)C)C1CC1 1705851257 ZPMSEPBPAGPZCN-UHFFFAOYSA-N 448.571 4.563 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=C)Br 1705870935 QXIMBHNTGDMNPN-UHFFFAOYSA-N 425.277 4.634 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCCC1 1706997048 DRAVAARTAOOVJB-SFHVURJKSA-N 449.628 4.601 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCC(C)(C)COC 1722278911 NORBWZAJJOPOFE-MRXNPFEDSA-N 433.394 4.618 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC[C@@H]1C 1722374030 QDTPKFFPDQZYDR-NZQKXSOJSA-N 425.580 4.862 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722521264 JOWCWMWVQZOHLF-QGZVFWFLSA-N 429.996 4.553 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@H](OC)C(CC)CC)CC1 1722562010 IHHZLBOAPHGYKJ-NRFANRHFSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H]1C 1722603449 JGZSSZZXRWSOKH-RTBURBONSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1722606823 IGTNDUREMWSDHS-UZLBHIALSA-N 439.541 4.847 30 10 IJEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCC(F)(F)C1)C1CC1 1722651860 UFCNZSFQJJYHNG-INIZCTEOSA-N 449.571 4.640 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1722741866 YZFZFMIICBBLKQ-LJQANCHMSA-N 428.602 4.509 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCC(F)(F)F)C1 1724003225 BDBDZAJQNNCEQP-NRFANRHFSA-N 443.477 4.808 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(CC(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 1724333359 BGOLJYWLYNWLLO-XTJBDQBJSA-N 439.579 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCSC1(C)C 1740541523 AVDLJMJOWWMWTG-PKOBYXMFSA-N 442.629 4.731 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCOC(C)(C)C 1740596087 SAWSMHDNAYOGQK-UHFFFAOYSA-N 426.605 4.819 30 10 IJEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@H]1C[C@H](c2ccccc2C)C1 1740615628 ICDZWBVCXJADRW-BWCXSUDRSA-N 449.599 4.545 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(CC)s1 1740632957 YXMVMKKZJNOWHS-KRWDZBQOSA-N 438.984 4.817 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCc2cccc(Br)c2C1 1740751928 QAAWRGKLPZLJHY-FXAWDEMLSA-N 445.405 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccn1 1740764138 USUNFJGFDBUSRI-UWJYYQICSA-N 444.004 4.596 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1740803197 QSNACPZJGOWPNF-IERDGZPVSA-N 437.371 4.831 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCc2ccccc2)CC1 1740807670 JNFMIOWMMZGXAN-UHFFFAOYSA-N 444.366 4.932 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1740825209 UZWKKDCCDWPAJQ-IYWMVGAKSA-N 428.552 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N(CCO)Cc1ccc(Br)s1 1740847958 YPCSHWYFBJRYBX-UHFFFAOYSA-N 439.423 4.581 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740868615 OIMLEZIBUQTQCS-IEBWSBKVSA-N 445.995 4.533 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCO[C@@H](C)C1 1740894451 UWMIDFBDVVZFPJ-KBPBESRZSA-N 439.785 4.798 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](OCC(C)C)C1 1740944476 LMFOONOTYZXXST-OAHLLOKOSA-N 439.785 4.798 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@H](C)C1 1748937591 MIRRPLZEODPXMK-RTWAWAEBSA-N 438.616 4.819 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749079105 XQDNCXMTOCHYNQ-ZDJNHPEVSA-N 449.643 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1749146967 UKBKCGPDRWYBEO-UHFFFAOYSA-N 434.519 4.930 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1C 1749147553 LBZVFGVENKKSLC-UHFFFAOYSA-N 428.378 4.805 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1749181797 TVOJSRJTDMBYAO-HKUYNNGSSA-N 429.996 4.696 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCCc1ccccn1 1749252436 AVHCLRIGOOMBNE-UHFFFAOYSA-N 433.947 4.552 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cc(Cl)ccn1 1749253499 PQUCSWZJNKEITN-UHFFFAOYSA-N 440.338 4.773 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1749257896 FQAZYDCPBQMTKE-HOTGVXAUSA-N 437.009 4.824 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2nnc(C)s2)CC1 1749294200 RQNKJRBQFLQVCA-UHFFFAOYSA-N 435.384 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(c2ccccn2)CCC1 1749473736 PZWPGKVJIQHLCE-UHFFFAOYSA-N 444.402 4.908 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)cc1 1749684197 SRYIDLWTZCLZRQ-UHFFFAOYSA-N 448.489 4.507 30 10 IJEE Cc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CC#N)CC2)cs1 1751791034 CPQIEQITHKNFTB-UHFFFAOYSA-N 441.004 4.660 30 10 IJEE CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1752084331 FTXRHNUPRCEWCH-UUOWRZLLSA-N 440.661 4.602 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cc(Cl)ccn1 1760149614 AFQJXPQEEKBIGW-UHFFFAOYSA-N 444.764 4.806 30 10 IJEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1760207125 YFAHLFVLJMGVHE-AZGAKELHSA-N 430.596 4.560 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1ncc(C)s1 1760209759 HQVUHHAZNYKQFX-SFHVURJKSA-N 435.622 4.520 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1Cc1nc(C(C)C)cs1 1760241561 CVWITTLZCFDLHN-UHFFFAOYSA-N 425.577 4.884 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CC1(C)C 1760242843 QAIVRRASNSMVHK-OALUTQOASA-N 445.007 4.820 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(SC)cc1 1760291910 ICGVDNQPXAVPNF-HSZRJFAPSA-N 438.000 4.950 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOCC1CC1 1760319086 QSAMQIKCJXCTPB-UWJYYQICSA-N 448.970 4.582 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1csc(Br)c1 1760344380 OGSJVKNOJSMODX-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(N(C)C(C)=O)CC1 1760409800 HZLSUNIXMWBTJR-UHFFFAOYSA-N 446.599 4.543 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCC2=O)CC1 1760424665 PQXUMJBIJCVTHW-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cccc(C(N)=O)c1 1760434150 RXIYGFQIQVDDJZ-QGZVFWFLSA-N 449.624 4.833 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760434384 YIRVAMFEJXCPNZ-UHFFFAOYSA-N 437.544 4.715 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1760442094 FTMSVEGLVWBXRX-UYAOXDASSA-N 435.597 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCN1C1CC1 1760496598 ZWTXIHXCQDNYNA-JOCHJYFZSA-N 426.008 4.718 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 1760530233 MCMTYNKGGSMZGC-OAQYLSRUSA-N 439.648 4.963 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1769840986 BMIWYZIMQBMWKD-GOSISDBHSA-N 447.530 4.536 30 10 IJEE CC(C)c1ccc(C=NNc2nc(-c3cccc(S(=O)(=O)N(C)C)c3)cs2)cc1 1772723681 AATIRXZVIOTUBC-UHFFFAOYSA-N 428.583 4.630 30 10 IJEE N#C[C@H](c1ccccc1)N(C1CCCC1)S(=O)(=O)c1ccc(Br)s1 1858009487 SYDUOLYYLCHWQD-OAHLLOKOSA-N 425.373 4.709 30 10 IJEE COc1cc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c(OC)cc1Cl 1858203018 HJYVLPAQZYKVPZ-UHFFFAOYSA-N 427.913 4.816 30 10 IJEE N#Cc1ccccc1NC(=O)C1CCN(c2nc(O)c3cc(-c4ccccc4)ccc3n2)CC1 1858551281 ZKLROWNYTMHSDG-UHFFFAOYSA-N 449.514 4.729 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1c2c(nc3ccc(F)cc13)CCC2 1859649639 ZJYQCHSAFGPYIF-UHFFFAOYSA-N 448.461 4.720 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)COc3cccc(NC(=O)C(C)(C)C)c3)c2C#N)C1 1860089465 CFPZCHWTXFRVFF-CQSZACIVSA-N 425.554 4.747 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1 1862400459 FHDWPGHKIKIHAN-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862408863 WLOBOGVGDDISKU-XMMPIXPASA-N 448.563 4.764 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862450104 ZVCDFWPHSUWPHO-FQEVSTJZSA-N 439.895 4.648 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862703828 MKKOBCKLHOAZIF-NRFANRHFSA-N 436.464 4.514 30 10 IJEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1cc2cc(Br)ccc2o1 1866083532 RPVMEEOQDMZUJU-UHFFFAOYSA-N 425.217 4.644 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1cc(O)c2ccc3ccccc3c2n1 1866512541 UCUWNFMLANVZQH-UHFFFAOYSA-N 437.434 4.757 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870301948 AAEZVWRPXAPTSQ-UHFFFAOYSA-N 447.535 4.532 30 10 IJEE CCCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccco1 1870349420 NFPVDDBRXPLNGR-UHFFFAOYSA-N 433.552 4.952 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN(CCCC)CCCC 1870755014 DUYDXNYNXSHMAH-UHFFFAOYSA-N 443.563 4.593 30 10 IJEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870813049 UHQBOQUTNDXSTE-DEOSSOPVSA-N 449.938 4.894 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1ccc(CC)cc1 1871197728 ATWYGKPPSMBVDB-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871220163 VWLGIVHGQNOWGF-UHFFFAOYSA-N 444.535 4.679 30 10 IJEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCCn3ccnc3)CO4)C2=O)cc1 1871349148 GPBCZLJGNCDMNB-OYKKKHCWSA-N 429.520 4.865 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(CCCCN1CCCC1)CO2 1871354920 IIASZFORHXXXQB-UCQKPKSFSA-N 436.527 4.778 30 10 IJEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)c1 1871400400 ASEXBRFMHPSIHH-KSJDGYIASA-N 433.435 4.857 30 10 IJEE C=CCN=c1nc(N(Cc2ccccc2)Cc2ccccc2)[nH]c(=Nc2ccccc2C)[nH]1 1871482778 KRKHYRFMBYVODS-UHFFFAOYSA-N 436.563 4.572 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1871855624 GIXQXWFOLMERJV-FDDCHVKYSA-N 442.581 4.812 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(Br)c1)S(=O)(=O)CCCC 1872007571 JABYCHCSOLYKQU-SFHVURJKSA-N 445.423 4.564 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872130661 DLTTUGPROXAERL-OAQYLSRUSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872492752 CYDPEXAPAJCFGW-CVDCTZTESA-N 428.598 4.788 30 10 IJEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)C3=NNC(=O)CC3)n2)cc1 1872777223 IVBWWQFPXIQGOD-GOSISDBHSA-N 438.553 4.602 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)c(OC)c1OC 1872787928 BGPWCQWVXSUWRW-INIZCTEOSA-N 433.489 4.807 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCCC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203139 AZWPPACWIJTWJR-UHFFFAOYSA-N 427.504 4.644 30 10 IJEE O=c1c(Br)c(N/N=C/c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 1873525949 GLLRLNUALXAZHF-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccncc1 1874452101 DHFPFCBPUIZJMN-MFKUBSTISA-N 434.569 4.506 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cccc(F)c1 1874505040 NWPVFICIHGOBJA-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)C 1874509918 BUAOBFNKSZXYBK-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CC2)cc1 1874522931 AJADLDAQNCJADM-STPJHCLOSA-N 433.581 4.570 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1c(Cl)cccc1Cl 1874530565 PJDKGWZHFWTERT-LSHDLFTRSA-N 434.352 4.815 30 10 IJEE C=CCOc1c(Br)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OC 1874618934 AKFGLCNNOHTVCE-SOFGYWHQSA-N 433.298 4.936 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1 1874694606 LYMGGQANIJBPPL-ZRDIBKRKSA-N 447.443 4.656 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)cc1OC 1875098315 CPRIDQSWCSQLPP-CSKARUKUSA-N 428.481 4.569 30 10 IJEE O=C(COc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875124882 HFVWAVJXFQHBRH-UXBLZVDNSA-N 439.370 4.754 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c2)cc1Cl 1875188946 QTRHQPGBLDNMQP-GORDUTHDSA-N 429.734 4.621 30 10 IJEE Cc1cc(F)cc(Br)c1NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1963648392 VVIFJZBWRBCKLF-HNNXBMFYSA-N 442.329 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Cc2cccc(Br)c2Br)C1 1980244221 NUYHLUGKQQWVLP-QGZVFWFLSA-N 444.167 4.905 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 1998068881 ZUTHEUCTYCFGIU-FGZHOGPDSA-N 432.605 4.542 30 10 IJEE CC1(C)OB(c2cnc(OCCCOCc3ccccc3)c3sccc23)OC1(C)C 2007822857 SHVMOLPJQYNCSW-UHFFFAOYSA-N 425.359 4.581 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC1(C)C 2040575442 ALDJIDODNIZPDH-DEOSSOPVSA-N 445.560 4.976 30 10 IJEE C=CCN(C[C@H](Cc1ccc(Cl)c(Br)c1F)NC)C(=O)OC(C)(C)C 2047973367 LZLCVAQBPNBLLG-ZDUSSCGKSA-N 435.765 4.795 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3cc(Br)c(Cl)s3)C2)OC1(C)C 2052394930 ADLXUAPRSIPYBS-JTQLQIEISA-N 434.592 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]21 2065610693 ZXLGEKYXAOJIKH-GLDPYIMESA-N 449.592 4.617 30 10 IJEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2065622943 VVGRCMPWNUNRMD-DVECYGJZSA-N 445.560 4.736 30 10 IJEE CCc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079137936 RRNYRPWYNUNEGH-HNNXBMFYSA-N 427.236 4.859 30 10 IJEE CCCN[C@@H](CC#CC1CC1)c1cc(Br)ccc1I 2090187257 DSUHZIOFDOSNIG-INIZCTEOSA-N 432.143 4.898 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100156595 NKZTZLPXKYAOFG-RPWUZVMVSA-N 435.417 4.802 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)C1(C)C 2118150802 IKJGQVZJNPLBND-ZDUSSCGKSA-N 426.330 4.589 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1cc(Br)c(C#N)cc1F 2174770704 ABYBOVYOTXRJBX-FZKQIMNGSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)NCc2cccc(C#N)c2)c1 2181047630 VNBKFIFLVVOLRO-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCC(=O)Nc2ccc(Br)cc2C#N)C1 2203257140 GJVCPCSJNRJBBC-CJNGLKHVSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1ccc(Br)cc1C#N 2226202452 RGRKZRRSVIDQFD-AWEZNQCLSA-N 430.293 4.767 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C#Cc1ccccc1Br 2235745936 XABBCQUZVXGGDB-XMSQKQJNSA-N 436.390 4.835 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)C(C)C 2235748824 DBQGHOMEUXBKTH-MOPGFXCFSA-N 437.422 4.966 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237411986 IZVPZHGDZGUPTD-OALUTQOASA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2249926309 GEDSAUUIBJAEOZ-LEWJYISDSA-N 436.557 4.901 30 10 IJEE C=CCCC1([C@@H](NC)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2278279611 OGRFEUXGHMFAJK-HNNXBMFYSA-N 445.423 4.983 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1cnc(NC(=O)OC(C)(C)C)s1 2278814941 YQVKYAYBRGCJAK-OAHLLOKOSA-N 436.375 4.955 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3cc(Br)c(F)cc3Cl)C2)OC1(C)C 2285909206 GRHQPIFOMVCNED-NSHDSACASA-N 446.553 4.940 30 10 IJEE COc1cc(C=C2SC(=Nc3cccc(Br)c3)NC2=O)cc(Cl)c1O 2294010775 JRIGJUAOAUGKDS-UHFFFAOYSA-N 439.718 4.708 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 2296136157 RSYLTSMMKYXRIT-LJQANCHMSA-N 434.448 4.963 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296271645 GWDRJARUZFQYQM-MOPGFXCFSA-N 437.422 4.964 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2296289642 TYWZEZXCQJJOMI-ICSRJNTNSA-N 435.406 4.720 30 10 IJEE CC[C@]1([C@@H](C#Cc2ccc(Br)cc2)NC)CCCN(C(=O)OC(C)(C)C)C1 2296289889 WSVGWMDKDBMFIA-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2296293241 HJMUGPWDLUSRJS-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(C[C@H]1COc3ccccc3O1)CO2 2322234747 NKVDDLHEWRZHND-INIZCTEOSA-N 447.512 4.665 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(CCCCCO)CO2 2322371437 QIBCJZANHQFTCE-UHFFFAOYSA-N 431.891 4.718 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)c(OC)c1 2323283385 CMUFLFTULWOSCE-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Br)c1OCCCO 2323739921 AWPWCWWSLNEXLK-UHFFFAOYSA-N 441.268 4.783 30 10 IJEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC 2324044818 XPCLRQVDONXTCW-UHFFFAOYSA-N 431.282 4.690 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])Nc1ccc(F)cc1 2324190732 BQFCRBNPPPOEDI-UHFFFAOYSA-N 438.386 4.787 30 10 IJEE CCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324879809 RVTLJIAICAZBDR-UHFFFAOYSA-N 449.503 4.926 30 10 IJEE CCN(CC)CCOc1cc(C)c2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2325703369 PANUDHSNEAZIEE-UHFFFAOYSA-N 443.927 4.852 30 10 IJEE CCOc1ccc(C=CC(=O)Nc2ncccc2OCc2ccccc2C#N)cc1OC 2326546401 ONARDWOELBJRER-UHFFFAOYSA-N 429.476 4.591 30 10 IJEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(C#N)cc2)cc(Cl)c1OC 2326660818 QIQHZEMLFAOUBM-UHFFFAOYSA-N 441.944 4.693 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2N=Cc2c(F)cccc2Cl)cc1C 2328969761 QHPZQOGDDRTORD-UHFFFAOYSA-N 446.979 4.829 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(C)C)cc1 2329026224 ORDNPLJIJLBFRA-FQEVSTJZSA-N 425.602 4.676 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1ccc(Cl)cc1 2330376040 ZZFLHVNZHPZIGG-YADHBBJMSA-N 435.008 4.572 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccncc1 2330537911 KRRTYTRHOREALJ-UHFFFAOYSA-N 448.577 4.577 30 10 IJEE CCCOc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)OCC(C)C)c1 2330871752 IHVBCFKLMFXWBF-UHFFFAOYSA-N 446.617 4.829 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)c1 2331386525 IXRHXFXPXDFSDQ-UHFFFAOYSA-N 439.445 4.789 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1C 2331851507 ILAXYLAZWBEDSR-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)cc1 2339441538 XFNCRPVMXHRJKO-UHFFFAOYSA-N 436.317 4.997 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2365123513 LCTCRNSSSSDXLO-NYADBGEESA-N 445.416 4.685 30 10 IJEE C=CCC[C@@H](C)N(C)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2374483463 UQSDXLDQEZBKPE-OTYXRUKQSA-N 425.186 4.859 30 10 IJEE CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 9602017 BPOXOWAOFKAEFF-QFIPXVFZSA-N 431.515 4.808 30 10 IJEE Cc1nn(C)c(C)c1CCN/C(=N\C(=O)c1ccc(F)cc1)Nc1ccc(C(C)C)cc1 32973615 BXUUGILIZAYENN-UHFFFAOYSA-N 435.547 4.740 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1 34954363 AZRSPFTUZXMBDF-UKTHLTGXSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2OC)cc1 34955303 RUKAJSVGRNBTDM-LFYBBSHMSA-N 448.471 4.836 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)cc2)cc1 39827316 JVNZKXPBKHCTJA-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(C[C@@H]3CCCO3)CO4)C2=O)c2ccccc21 41662138 WJWQMCRJLNTNPH-SSVUZXLWSA-N 430.504 4.608 30 10 IJEE CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3cccc(Cl)c3)S2)cc1 100184395 WIMJAWUVYHLNHS-YQMDHOPXSA-N 431.945 4.719 30 10 IJEE Cc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3cc(Cl)c(O)c(Cl)c3)S2)c1 100262894 YLGVKMVIPXJUMZ-GUYLDNPGSA-N 438.336 4.598 30 10 IJEE COc1ccc(C)cc1N/C=C1\C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 105336252 BCGZZRAGJBEIBJ-DEDYPNTBSA-N 440.546 4.551 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 135628132 XKOHWOAHKYRRNW-GOBJLOIFSA-N 433.533 4.905 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923121 VDOAWAPATWKOHF-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccs1)c1ccc(Cl)cc1 169983436 XQPMUVHKQPWQKY-LJQANCHMSA-N 439.876 4.913 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1C 170055324 WUQXPVSIHCRRDU-XMMPIXPASA-N 445.490 4.964 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@@H]2c2ccccc2)ccc1F 170056393 PILSHMPGVJERFV-OAQYLSRUSA-N 445.425 4.932 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccc(F)cc2)c1 170060483 KNLUXCZORWJEAW-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170102255 KUPXKBPTQHYEHH-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)c1 170118924 GWCYGIJLJPFXKI-XMMPIXPASA-N 443.499 4.946 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(N(C)C)cc1 170129610 JRYUICQICXSIHY-HSZRJFAPSA-N 436.552 4.920 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1 170169873 HDTCLAWPYYWLAH-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)cc1 170171659 AGLNZGAMPKXJHL-QFIPXVFZSA-N 426.428 4.619 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)ccc1Cl 170173071 IKCDVZYUEWCESN-NRFANRHFSA-N 434.879 4.917 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccn2)cc1 170174310 AHTDQNJGOTUNSH-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(C(C)C)cc1 170244609 QQUFOLUKJJNPOY-QHCPKHFHSA-N 432.520 4.906 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 170259563 MAJPXLGJRGWRAR-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)c(OC)c1 170275373 XDSQQFGVXCLEPO-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@@H]2c2ccco2)c1 170278594 KHXWZCJZPYJMHK-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccco2)cc1C 170278841 ANJKPQHCPPZETR-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)cc1OC 170286891 AIGYAXPLWIBRGH-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)c(C)c1 170305053 MJBOUIKOMGMLSY-QFIPXVFZSA-N 428.444 4.560 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1Cl 170305144 MHHFZPXDGRQGEA-NRFANRHFSA-N 448.862 4.905 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccc(N(C)C)cc3)[nH]c2cc1C 170447270 ZJDJBNCZUKKRHS-NRFANRHFSA-N 446.551 4.761 30 10 IJEE N#Cc1ccc(NN=C2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2c2ccccc2)cc1 252460098 BPVJIQZJAUXMPR-UHFFFAOYSA-N 448.511 4.901 30 10 IJEE N#Cc1ccc(CC(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 469755134 YDOLYMDDWBCFOW-GOSISDBHSA-N 442.359 4.738 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nc(C(=O)OCC)cs1 501936967 GUHSXFMTLMAHNP-UHFFFAOYSA-N 433.942 4.930 30 10 IJEE C=CCCCN(C)C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 522951305 ZOZDFQDVGDWDMZ-ILBGXUMGSA-N 436.552 4.613 30 10 IJEE C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 532433409 UBBCDGADBSAVOJ-CYBMUJFWSA-N 426.339 4.864 30 10 IJEE CC(C)(C#N)c1ccccc1CSCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 536373630 DYTUBLHUOOTBHD-UHFFFAOYSA-N 426.563 4.980 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1c(Br)cccc1Br 544000040 VLLOVFMMUNEABE-UHFFFAOYSA-N 425.120 4.706 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 559009675 YLTRDSSIRCVCTQ-DEOSSOPVSA-N 442.563 4.938 30 10 IJEE O=C(N[C@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1ccc2cc[nH]c2c1 585853992 UNCYBKKWMWWRCS-SRGDVUDDSA-N 442.346 4.608 30 10 IJEE N#Cc1cccc(CN(CCc2ccc(F)cc2)S(=O)(=O)c2cccc(Cl)c2)c1 586168314 CTBCDICKAFRVQW-UHFFFAOYSA-N 428.916 4.784 30 10 IJEE Cn1c(O)nc2cc(C(=O)[C@@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)ccc21 603627700 BXJUHZKWUMPXHI-MMRXCNNESA-N 432.549 4.693 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 619819367 WCAJZBPVCOBWNA-KSFYIVLOSA-N 425.895 4.562 30 10 IJEE COc1ccc(NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c(C(F)(F)F)n1 669987511 QSMVOSLALOIIIN-CYBMUJFWSA-N 429.267 4.812 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1ccccc1OC(F)(F)F 727627729 QAHYCLCTRKYQBI-GOSISDBHSA-N 432.442 4.990 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 734105625 UPBTZGVMZULGOR-UHFFFAOYSA-N 439.437 4.711 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2oc3ccccc3c2C)C1=O 734300122 LXYQIPDOEUPKCX-NRFANRHFSA-N 435.549 4.626 30 10 IJEE N#C[C@H](C(=O)CCc1cc2ccccc2nc1O)C(=O)Nc1ccc(Cl)cc1Cl 767431655 GLFPPQHHSZSWON-OAHLLOKOSA-N 428.275 4.527 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S 774595753 QKICKUKZGUQJMQ-LJQANCHMSA-N 427.599 4.835 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1ccc2cnccc2c1 783808997 MJUHBCOZTHKEQM-FQEVSTJZSA-N 438.350 4.516 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccsc1 790285368 PPSIKTPSBAMYAK-IBGZPJMESA-N 441.578 4.877 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)cc1 1084032857 LOZZFFVPCXXCNI-CQSZACIVSA-N 426.521 4.634 30 10 IJEE COc1ccc(N=C2S[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1 1084178026 MDIMDDODPXNWGD-INIZCTEOSA-N 438.336 4.592 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1126327020 HXDWNAIOASLBEJ-ZDWFVDTJSA-N 436.980 4.878 30 10 IJEE C=CCc1cc(C(=O)N2C[C@H](C)Oc3cc(C)c(Br)cc32)cc(OC)c1OC 1126826777 YOYNASOKGKLXJP-AWEZNQCLSA-N 446.341 4.931 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(Br)ccc1OC 1126987555 UZFDSPQSTGZWLI-UHFFFAOYSA-N 444.247 4.971 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)[C@H](CCOC)Cc2cccc(Br)c2)cc1 1129378943 DZCHQTUVJGPVDF-IRLDBZIGSA-N 443.385 4.930 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@]1(c2ccccc2)CC1(C)C 1131667488 IENDCLGPBSJDNT-JOCHJYFZSA-N 443.341 4.540 30 10 IJEE CCN(CCOc1ccccc1OC)C(=O)c1cccc(COc2cccc(C#N)c2)c1 1131737656 FKERZQLXBUIQSC-UHFFFAOYSA-N 430.504 4.687 30 10 IJEE CCc1ccc([C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)N(C)C)cc1 1135926182 DTMRRXPSDKIYDO-RUZDIDTESA-N 427.548 4.732 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](CCC)C1 1137818886 ASTNIFZCILLHGB-XZOQPEGZSA-N 443.632 4.749 30 10 IJEE C#CCN1CCC[C@@H](Nc2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)C1 1187585738 DBWPKGFZOZNNEV-GFCCVEGCSA-N 430.243 4.665 30 10 IJEE COc1cc(C#N)ccc1CSc1nc2ccccc2c(=O)n1-c1ccccc1OC 1188093843 DJAQDGZNKOSDPP-UHFFFAOYSA-N 429.501 4.567 30 10 IJEE C=CCCCN(CC)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1214219229 YKOWNPXUEMSDAS-ZVVDCOBXSA-N 433.618 4.610 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1224523356 TZMVEXWCTRKXMP-ICSRJNTNSA-N 442.357 4.709 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 1229989645 MTZGUBPGSDLFPS-HXUWFJFHSA-N 441.597 4.705 30 10 IJEE C#CCC1(NC(=O)NCC2(c3ccccc3Br)CCCCC2)CCOCC1 1251233959 FLIBHZCJKLCVEM-UHFFFAOYSA-N 433.390 4.523 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(Cl)cc1F 1252480347 WVUQNNACSZOLBZ-LLBVYWAGSA-N 427.951 4.848 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Br)c(O)c2)cc1C 1256446169 CAXXGPZORVYGIN-UHFFFAOYSA-N 439.313 4.801 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1286278386 NOMNJNUUODBMKL-SLHLXQHXSA-N 430.980 4.877 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)Cc1cccs1 1286365783 JDQVWQNPAMCWQM-HNNXBMFYSA-N 429.387 4.717 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286420302 BWCJSSLDXLZLQP-ZWKOTPCHSA-N 445.445 4.610 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@H]1CCO[C@@H](C)C1 1286457644 BIWNBEFLLQAFTE-PMACEKPBSA-N 426.580 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C 1286553534 VMNPOGSBOFLQBQ-XLIONFOSSA-N 444.004 4.981 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1286605391 MREXOEUFLXSOFJ-NRFANRHFSA-N 437.613 4.995 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccc(C)c2)CC1 1286638530 DWGCPYABGGWDKG-UHFFFAOYSA-N 426.362 4.743 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCSCC2)cc1)C1CC1 1286735752 LYMIMIAMAVOPPV-UHFFFAOYSA-N 425.646 4.623 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC[C@H]1C 1286748334 VZQSQHUACPJEFZ-DXIQSLLYSA-N 428.552 4.524 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCCc1cccc(F)c1 1286749328 PNYXUYKMSCTHLF-UHFFFAOYSA-N 434.544 4.761 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1 1286749909 HSDYKMOIQLFDNK-HXUWFJFHSA-N 442.658 4.680 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1Cc1nc(C(C)C)cs1 1286759562 DFOLQVSJMJHFCV-UHFFFAOYSA-N 447.612 4.542 30 10 IJEE C=C(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 1289566838 GDQFSHAZQMOTHW-UHFFFAOYSA-N 436.936 4.552 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@@](C)(O)CCC(C)C)cc1 1289867286 CEUAQOGNEUHUOC-DEOSSOPVSA-N 441.645 4.806 30 10 IJEE Cc1cccc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)n1 1290016402 GYUFREDKNKUBQL-CQSZACIVSA-N 429.355 4.794 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2c(Br)ccc(OCC)c2F)cc1 1290546007 OBIYATGDUXFZRY-UHFFFAOYSA-N 436.281 4.547 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C=C)CC1 1300344487 CWHJTBFPDWJKLR-UHFFFAOYSA-N 443.389 4.922 30 10 IJEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1300439679 GHFLBPOZBLPYGI-CZIWCDLHSA-N 444.764 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCOC1CCCCCC1 1300591494 RVOCPXWXDKHIOW-UHFFFAOYSA-N 448.611 4.676 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OCC 1300607007 YURBOWHBVRUXEF-UHFFFAOYSA-N 435.597 4.577 30 10 IJEE C=CCCC1(CNC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccco2)CCCC1 1300737597 CASMOWDGEOXCEU-UHFFFAOYSA-N 426.513 4.806 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CCCCO)C1CC1 1301018861 NUEDIRMQQJWZSY-UHFFFAOYSA-N 439.991 4.846 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301074605 DGNKMRCWIJLADF-FQEVSTJZSA-N 437.588 4.809 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)c1ccccc1 1301164457 UHYPXPVQRFNXKL-FYYLOGMGSA-N 437.632 4.750 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1301176951 NKHZNIWFSUUEPY-XMMPIXPASA-N 437.975 4.756 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)NC(C)(C)C 1301271065 OTBNFGSRXYTQRS-UHFFFAOYSA-N 431.993 4.740 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)N1CCCCC1 1301390607 LIZLVQDKEDLHCO-IFMALSPDSA-N 425.577 4.518 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccn(C)n1 1301406722 VCFFRKVDQZTRMQ-UHFFFAOYSA-N 444.583 4.853 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCc2nc(C(C)(C)C)cs2)C1 1301566537 OZFFQMHBOWTWSL-LJQANCHMSA-N 443.661 4.789 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1303615328 HIWMYYVCYZUJDA-INIZCTEOSA-N 448.914 4.735 30 10 IJEE Cc1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)on1 1304900451 BPHLORXVROZRFS-UHFFFAOYSA-N 442.976 4.699 30 10 IJEE C#C[C@H](NC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C)C(C)C 1306834688 ZXWAOHADKZRREB-INIZCTEOSA-N 439.606 4.590 30 10 IJEE C[C@H]1CCc2c(sc3nc(CCC(=O)N(O)CCCCc4ccccc4)nc(O)c23)C1 1306893839 AABYVMPYQVUKPF-INIZCTEOSA-N 439.581 4.695 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccccc2)[C@@H](CO)C2CC2)n(C2CCCCC2)c1C 1307648620 AJAGWGKCLQTPGW-VWLOTQADSA-N 448.611 4.693 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)C)n1Cc1ccc(Cl)s1 1316085663 CJJHNMLTGJCQIO-UHFFFAOYSA-N 429.977 4.689 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 1349267925 FEUSOMAIDVLISM-UHFFFAOYSA-N 439.002 4.901 30 10 IJEE Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1N1CCNC1=O 1354089836 HMINYJYIPBTFJY-INIZCTEOSA-N 436.581 4.861 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1scnc1C 1358920744 GZTQHNOUPKNNQE-MRXNPFEDSA-N 429.977 4.886 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCNc1ncc(Cl)cc1Cl 1359004438 WDEPCVNXKZAQOA-UHFFFAOYSA-N 449.773 4.872 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC(C)C 1359095710 QWIKLHBAHPPPQB-LPHOPBHVSA-N 433.394 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)c1ccc2c(c1)OCO2 1359112379 HYMFBSDULCOGBN-FQEVSTJZSA-N 426.561 4.629 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1359161493 GFXCQTVVMYZQFI-HUUCEWRRSA-N 437.407 4.741 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)c2ncc(C)s2)CC1 1359180016 OHLBJMKDFHCJTR-INIZCTEOSA-N 425.577 4.979 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nccc(C(F)F)n2)CC1 1359180276 YVGCLNLCJQAOFC-UHFFFAOYSA-N 444.917 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1359190218 IPRUURZZIDCSJZ-XMMPIXPASA-N 445.611 4.704 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nccs1 1359196237 AECYARNTCXIVID-UHFFFAOYSA-N 449.422 4.734 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1359202974 GIGVIAJLRCVHCD-NHCUHLMSSA-N 440.588 4.887 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1359204726 YXMPPYRJCSYYTP-SFHVURJKSA-N 439.510 4.556 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC2(CCOCC2)C1)C(C)C 1359266110 UCMMFHFZSWNPBZ-HSZRJFAPSA-N 441.664 4.641 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccncc2)n1Cc1ccc2ncccc2c1 1359929409 FJKKRWPRPBHKOX-UHFFFAOYSA-N 439.567 4.627 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(C2CC2)CC1 1360469361 BGXGMOFYZXHTTL-HNNXBMFYSA-N 447.414 4.865 30 10 IJEE C=CCSCCNC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 1435850272 DLQGGROWAPGNRM-UHFFFAOYSA-N 433.599 4.730 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 1456317081 VVYBNZUXCMZXKU-UHFFFAOYSA-N 426.266 4.885 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1OC 1458530970 MLJSBKFBYZZKCZ-BENRWUELSA-N 446.591 4.788 30 10 IJEE C=CCn1c(SCCS(=O)(=O)C2CCCCC2)nnc1-c1cccc(Cl)c1 1459002898 UGUACPYJADSKQE-UHFFFAOYSA-N 426.007 4.624 30 10 IJEE C=CCCCCNC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 1459359354 SQQRXYDXPNZSJF-UHFFFAOYSA-N 428.508 4.777 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 1459709389 SNPFYXUVQGXWDZ-HSZRJFAPSA-N 432.486 4.912 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCc3c(Cl)cccc32)cc1 1459716614 CWSDGAYBAJPGCS-UHFFFAOYSA-N 434.927 4.629 30 10 IJEE C#C[C@@H](NC(=O)c1cc(F)c(Br)cc1F)c1ccc(Br)cc1 1460790063 UJHKZVDPZCWKMS-OAHLLOKOSA-N 429.058 4.594 30 10 IJEE C=CCn1c(SCC(=O)N2CCC(F)(C3CC3)CC2)nnc1-c1ccc(Cl)cc1 1463195826 QFFZWBUBBYLMTL-UHFFFAOYSA-N 434.968 4.617 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC[C@H](C)Sc1ccc(Br)cc1 1464913349 GFLRQISBPLHFIC-AWEZNQCLSA-N 436.371 4.933 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(Cl)cc1 1466850168 YLGPVHPKHQUNJV-BBRMVZONSA-N 429.757 4.664 30 10 IJEE C#CCN(C(=O)c1[nH]c2c(Cl)cccc2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1471881197 IVBNCQBGTCPIJE-UHFFFAOYSA-N 429.948 4.605 30 10 IJEE CCSc1cccc(Br)c1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1476688254 DUMGFCIKGYPQNW-UHFFFAOYSA-N 445.386 4.787 30 10 IJEE C#CCN(C(=O)N[C@H]1CCc2c(C)cccc21)[C@@H]1CCOc2ccc(Br)cc21 1477828393 NVMFBRYQZHZXHN-LEWJYISDSA-N 439.353 4.913 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1507548081 QZCOGPHSVSWFKC-VXKWHMMOSA-N 439.673 4.705 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@@H]2C1 1507556280 HAKZVMWTWNWZSQ-PZJWPPBQSA-N 442.007 4.550 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1CC 1507664207 PORFBZXVHJZRAN-IBGZPJMESA-N 444.410 4.589 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CC[C@H](C)C1 1507818819 YNBJPJQZRQVWPL-OALUTQOASA-N 434.588 4.514 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H]2C[C@H]1CO2 1507855701 UZVWECUBEJQTQN-NJAFHUGGSA-N 437.371 4.808 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C)(COC)CC1 1507926511 RWXAOIGUKRQZKZ-UHFFFAOYSA-N 434.588 4.944 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1507932466 UFUKJMDDEQUEHU-GOSISDBHSA-N 429.996 4.696 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1507962701 WDNPWFPYNZVVNL-KRWDZBQOSA-N 427.499 4.717 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCN1CCCC 1507975050 MHDMGFKIKKLMAW-FQEVSTJZSA-N 446.437 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CC1CCN(C(C)=O)CC1 1508011450 RRXSUIUIDLUBGK-UHFFFAOYSA-N 441.645 4.523 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC[C@H](C)C2)C1 1508117876 OWMNDGDYSVGYSK-ABSDTBQOSA-N 432.515 4.764 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1508151247 APOWNIUFLFBTCS-LJQANCHMSA-N 436.629 4.768 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1508158640 MRPPHXGZQYVHBL-QZTJIDSGSA-N 430.618 4.896 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC2CC2)n1Cc1nc2cccc(Cl)c2n1C 1509301636 CQFJEZHKYMEVJC-UHFFFAOYSA-N 439.995 4.585 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1512624739 BQYZIRADLJFDFA-QHCPKHFHSA-N 429.540 4.619 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1 1520329224 AOKYVOJZVQHFPJ-PXNSSMCTSA-N 445.658 4.592 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 1520345696 NMGWCHOMHOLALA-NRFANRHFSA-N 448.588 4.945 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2cc3cccc(OCC)c3o2)CCCN1C(=O)OC(C)(C)C 1523304679 YLLKJHVOCGAYKX-CRICUBBOSA-N 440.540 4.802 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)C2=Cc3cc(Br)ccc3OC2)cc1 1529654965 MWDMDPBSFWSKNA-UHFFFAOYSA-N 442.309 4.873 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 1531283709 BZADOMTWWZHKCP-LJQANCHMSA-N 447.897 4.937 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)[C@H](C)CC)ccc1Cl 1532268501 JOMDJJRRZCCBNT-QGZVFWFLSA-N 434.989 4.982 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1538983777 XHDPUPQWEWENBS-IAGOWNOFSA-N 432.515 4.636 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H](C)c1nccs1 1539115457 CKXCGFOKUQQZQD-QGZVFWFLSA-N 432.553 4.710 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(OCCc2ccccc2)CC1 1539134352 UJKJOXBXFBEDPD-UHFFFAOYSA-N 434.609 4.572 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1539344850 LFVUEUZPYPCFBJ-BKMJKUGQSA-N 433.644 4.718 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2CCC[C@H]21 1539498994 AGANJLPOOXRMNP-VQIMIIECSA-N 445.430 4.761 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccccc1Cl)N(C)C 1539667610 KWJXHKFSDYUNQX-NQIIRXRSSA-N 432.012 4.531 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC=C(Br)C1 1539691431 ZWAMRZURTKIPFG-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1539723067 WVNBQNBODFHXCM-HNNXBMFYSA-N 443.539 4.854 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(CC)C1)c1ccccc1 1539948004 NPACQSQWNQFAGN-ZEQKJWHPSA-N 431.584 4.629 30 10 IJEE C=CCC1(CNC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CCCC1 1540077027 HYLMGXAKANPCLF-UHFFFAOYSA-N 440.609 4.833 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1540087210 RPVVEXLOZZBZPQ-UHFFFAOYSA-N 447.583 4.943 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1Cc2cccc(Br)c2C1)C(C)C 1540146972 HTVAZBLJVCWVCT-OAQYLSRUSA-N 444.421 4.568 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540879892 RFZFNXFBDGEMBX-GJYPPUQNSA-N 438.494 4.561 30 10 IJEE CC#CC(=O)N(C)C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 1542457809 JSSRIWNMUWVWOY-UHFFFAOYSA-N 449.186 4.847 30 10 IJEE C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)C1 1544107073 ACKVNEITNDNCBQ-AWEZNQCLSA-N 442.386 4.925 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1)OC 1545302544 DRDJCPIEFRHZCO-BJSHUGAESA-N 439.604 4.805 30 10 IJEE CS[C@@H](C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H](C)CC#N 1555832238 DDZIVQSJCSKFIW-IRXDYDNUSA-N 425.558 4.607 30 10 IJEE C=CCn1c(SC[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)nc2ccccc21 1559316701 XUFGBGDFWRIURL-GAJHUEQPSA-N 429.586 4.731 30 10 IJEE C#CCOCCSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 1559328634 IDEYAGGFYLGCNT-UHFFFAOYSA-N 428.513 4.920 30 10 IJEE C#CC[C@H](NCC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1 1559702418 QWLCIDRDEIACAE-UIOOFZCWSA-N 432.589 4.759 30 10 IJEE C#CCN(C(=O)NCCc1ccc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 1563787991 AJLFQNCDZBIFMS-NRFANRHFSA-N 441.369 4.777 30 10 IJEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)C2)nc1 1564793158 DYMBROUSYCROFX-NRFANRHFSA-N 438.959 4.671 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 1565182994 RGLSPTQLLVENKD-OAQYLSRUSA-N 431.367 4.866 30 10 IJEE C=CC1(CC(=O)NCC(CC)(CC)N[C@@H](C)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1565757199 OQTLBILIVDPMGY-FQEVSTJZSA-N 443.632 4.825 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1587807439 DCCCPOZSFVSAMC-MOPGFXCFSA-N 428.552 4.755 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)CCc1cccs1 1587835724 YHPXPGLYQWLFPM-UHFFFAOYSA-N 429.387 4.861 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1(C)CC1 1588581135 HZOCILJEYMDIDS-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCOC)CC(C)C 1589514210 DUMHDZSRHWSDRG-RXVVDRJESA-N 432.996 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1589642113 VZZPYCYKYRBKMR-HXUWFJFHSA-N 442.608 4.600 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCc2c(cccc2OC)C1 1589742313 JRWVLECZXYJHSG-UHFFFAOYSA-N 445.386 4.917 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1593840083 ASVYYESZSNKAMQ-WIYYLYMNSA-N 444.023 4.781 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1594063785 DENVVXKRNXLCTO-UHFFFAOYSA-N 439.604 4.924 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCCCO)CC1 1594070286 BGQVJOSCBYVKIP-UHFFFAOYSA-N 437.357 4.556 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)c1ccccc1 1594534350 KFASVJQZJQHJPZ-QPTUXGOLSA-N 448.615 4.562 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC2(CC2)C1 1594797803 HVXVWQGIKOOIBC-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCN(c1nnc(COc2ccccc2OC)n1C[C@H]1CCSC1(C)C)C1CC1 1595070783 MJKCSCCEYLCTPC-QGZVFWFLSA-N 428.602 4.552 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC[C@H]1CCO[C@@H](C)C1 1595119821 GKMGCPQEFLIMIK-GMAHTHKFSA-N 431.584 4.662 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccncc1Cl 1595178306 IQRTXQKIUCXXQR-MRXNPFEDSA-N 427.911 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@@H]1C(C)C 1595191597 UFUWIHAWINJSBL-LAUBAEHRSA-N 430.980 4.847 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1595377268 WIVVZJIXJFPGSB-IBGZPJMESA-N 425.577 4.523 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC(C)=C(Br)C1 1595659231 VVIOGBBGEJCQCZ-UHFFFAOYSA-N 445.405 4.969 30 10 IJEE C=CCN1CC[C@@H](Oc2ccccc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O 1613642682 SGJZSAWOUIUACQ-GOSISDBHSA-N 438.833 4.777 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 1617266284 RNDQXLMHGTZHBC-FSSWDIPSSA-N 434.621 4.776 30 10 IJEE C=CCCC[C@H](NC[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccccc1 1620543001 PLUJLVOSXSXQLK-XZOQPEGZSA-N 446.513 4.854 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@](C)(CO)c2ccc(Br)cc2)cc1OC 1620933178 IKYXEFYXVDRKBW-HXUWFJFHSA-N 440.765 4.673 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc12)c1ccc(F)c(F)c1 1622047327 QIGBNGLIHGOCHW-GOSISDBHSA-N 441.297 4.804 30 10 IJEE CC[C@@H](C#N)C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 1624569530 FEDYYVWVCHTFBL-JYFHCDHNSA-N 428.532 4.878 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1625282222 QLDBPEXKVVCPSJ-SFHVURJKSA-N 433.335 4.883 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC)[C@H](CCC)Cc2ccccc2)c1 1626677385 JJHLQZOYMRFDFB-HSZRJFAPSA-N 425.594 4.747 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1627129625 GCGYWFPOFTXSPY-VGOFRKELSA-N 447.535 4.960 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 1628588576 YWRSQWBBOYVLSZ-LPHOPBHVSA-N 447.963 4.956 30 10 IJEE C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H](C#N)CCc1ccccc1 1628851358 CPNWXXVXQVTKDC-NBHGPNQESA-N 427.342 4.510 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1629235371 HDNAOQLMUASATH-GBESFXJTSA-N 436.980 4.727 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1630744702 ZSLFWOURSQJWSR-QHCPKHFHSA-N 437.584 4.740 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 1636631309 LFVOFDPRLWIQFW-RBBKRZOGSA-N 440.584 4.771 30 10 IJEE CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1639989218 CYERYCFREHNZAL-HSZRJFAPSA-N 433.600 4.840 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCc2nccc(Br)c2C1 1641660374 CBRVQVWRRMFLIM-UHFFFAOYSA-N 441.247 4.626 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc21 1649093272 UXHZHACCAVRULW-UHFFFAOYSA-N 435.665 4.799 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 1650737176 AJXPSCXMKDBJNN-QGZVFWFLSA-N 437.588 4.614 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(O[C@@H](C)c3ccccc3)ccn2)CCCN1C(=O)OC(C)(C)C 1651137407 OIVIGRIUEXKSPY-SIBVEZHUSA-N 449.551 4.953 30 10 IJEE C#CCN(Cc1csc(=Nc2ccc(OC)cc2)n1[C@H](C)c1ccccc1)C1CSC1 1655021344 QBECUNCAUDPPTC-LJQANCHMSA-N 449.645 4.951 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1657631959 HXEJXLZYZJKFBG-AREMUKBSSA-N 433.502 4.926 30 10 IJEE Cc1cccc(COc2ccc([C@H](C)N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2)c1 1657931679 DAFICAYBUIXLRD-RXFWQSSRSA-N 425.532 4.902 30 10 IJEE C#CCN(Cc1ccc(F)c(F)c1N(C)C)[C@H]1CCOc2ccc(Br)cc21 1658568800 GFMJYDRTCKSRMN-SFHVURJKSA-N 435.312 4.752 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(Cl)c1 1659541465 FGBHAUJHSCUTFE-UHFFFAOYSA-N 429.910 4.560 30 10 IJEE C#Cc1ccc(CN2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1660078238 ILQWQTGEQPMVNC-UHFFFAOYSA-N 432.564 4.832 30 10 IJEE C#CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCCc2ccccc21 1666028655 HOUJTZPQYRTLPT-YZIHRLCOSA-N 431.580 4.841 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccccc2C(=O)OC(C)(C)C)cc(OC)c1OC 1669784819 UFOPYQZPXAYNNY-UHFFFAOYSA-N 426.513 4.709 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2cc(Cl)ccc2OC2CCCC2)[C@H](C#N)C1 1671024117 GHKAWQRAAMADJW-RDTXWAMCSA-N 448.951 4.542 30 10 IJEE C#CCN(C(=O)Nc1cc(-c2cccnc2)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1671533019 FCJOABPLAPRQMT-UHFFFAOYSA-N 448.567 4.924 30 10 IJEE C=C(CNC(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1679427761 BCDXEFMFBIVVGV-UNMCSNQZSA-N 429.923 4.542 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1689910497 HXFSHRFFIYXRQM-LEWJYISDSA-N 439.629 4.671 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1690065100 KVHMDAPSMBPDDK-ICSRJNTNSA-N 445.405 4.618 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)CC1 1690157384 FJGKAGCGYRAJFP-SFHVURJKSA-N 434.556 4.637 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)[C@H]1C 1690157666 MGMAKTYVIZUZIJ-AABGKKOBSA-N 444.670 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1690248264 MAZKOFSSGMMRGN-QPPBQGQZSA-N 438.616 4.809 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1690256339 KBKUTOVKMUFIQE-AJGMTHFWSA-N 442.579 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCC[C@H](C)C1 1690257716 RPHCOTALRUFFBI-LEWJYISDSA-N 447.631 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC)c(OC)c1 1690259742 VAIWMEZNRRZTIH-UHFFFAOYSA-N 441.963 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21 1690272712 LLEKZIYTLLFOBK-NJDAHSKKSA-N 440.636 4.682 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 1690300696 IKVNOJBUXJWTCE-MOPGFXCFSA-N 448.995 4.506 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2CCC[C@H]21 1690304979 UAVUGEHDNWHDMZ-HUUCEWRRSA-N 437.407 4.741 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC=C(C)C1)c1ccccc1 1690322731 OEHKVZOCDMFWNV-UHFFFAOYSA-N 438.373 4.916 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1690322732 OFIDGKIRCXCYAB-UHFFFAOYSA-N 437.975 4.960 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(CCc1cccc(F)c1)C1CC1 1690349339 VEXVSDQMRIRAAK-UHFFFAOYSA-N 431.968 4.737 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C1 1690430293 HRHAZQIZCJVNSD-RTBURBONSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1690439501 HJZSQDXJHARXIZ-NRFANRHFSA-N 440.519 4.769 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCSC1(C)C 1690449942 VHPGXMKFJKQHFL-QGZVFWFLSA-N 445.633 4.720 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]2c2ccc(O)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1690467969 NZEALMUBZQSYEP-RCZVLFRGSA-N 440.588 4.722 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OCC(F)(F)F 1690592991 PCLFDSOZMPOOCK-UHFFFAOYSA-N 443.473 4.816 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CC(C)(C)C2)C1 1690685575 ADWQKERZENUCDS-DYESRHJHSA-N 428.552 4.775 30 10 IJEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1)c1cccnc1 1693676855 HENKRCMFMSHEIX-HYBUGGRVSA-N 444.583 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(COC)c1 1705481594 JNZSTTCLCAKOTF-QZTJIDSGSA-N 434.609 4.784 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H](SC)C(C)(C)C 1705574630 IWXRBAUIYZQOPT-SFHVURJKSA-N 445.430 4.558 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)c1nccs1 1705576571 NCKUJGJHLDNENE-AWEZNQCLSA-N 430.364 4.585 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1705601674 QYFPKMSQZBIVJD-DEOSSOPVSA-N 446.595 4.510 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1705669242 HBAWNOLPUJQCDO-WAIKUNEKSA-N 443.979 4.504 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2csc(CCc3ccccc3)n2)CC1 1705785388 GTAAYFDOLCUOJV-UHFFFAOYSA-N 437.613 4.507 30 10 IJEE C=CCCCCn1c(N2CCc3cc(F)cc(C)c3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705809358 PAGCMEHFLCSDAL-RUZDIDTESA-N 442.579 4.685 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1705839254 UCLAYPHKUCROKU-JTSKRJEESA-N 446.437 4.840 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCCCC1)C1CC1 1705849084 BUXGZAGHWVELHU-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C2CCCCC2)N(C)C)C1 1705918167 DLJZILXKKHZDST-UPVQGACJSA-N 437.632 4.545 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(C)[C@H](C)CC)C1 1705919279 ALRLKXXIUCSPTO-NFBKMPQASA-N 439.648 4.754 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccc(F)cc1 1722323672 WDHAFJZXEQQUEA-BEFAXECRSA-N 444.461 4.881 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cc(C(CC)CC)no1 1722373007 CVYGSLREAODKJU-UHFFFAOYSA-N 441.579 4.761 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722388304 SJXMIUDLZFOIJX-WJFTUGDTSA-N 436.522 4.563 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC(F)(F)C1 1722390123 BCVOPEWHOZUZPD-ZWKOTPCHSA-N 446.929 4.970 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC=C(C)CC1 1722493030 VWKYFWAOGYBRCJ-IPJJNNNSSA-N 426.536 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)CN1CCCC1 1722506632 VKMXEFMFWHEAIL-UHFFFAOYSA-N 449.441 4.560 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1722540015 GWNDQQONQPCBPT-AREMUKBSSA-N 431.584 4.619 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCCCN2CCCC2)CC1 1722564282 MLROPADWADANQN-OAQYLSRUSA-N 441.595 4.980 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1SCCc2ccccc21 1722595443 PSJOIGQERQZWBC-QFIPXVFZSA-N 436.629 4.892 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2sccc2c1 1722633222 PTARAGANYNAXRH-UHFFFAOYSA-N 428.359 4.921 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1Cc1c(C)nn(Cc2ccccc2)c1C)C1CC1 1722650906 NYEZGWKGAVSXGT-UHFFFAOYSA-N 432.616 4.931 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1Cc1nc(C)c(C)s1 1722661087 SBASPVGIJQOWAX-LJQANCHMSA-N 427.549 4.583 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCSC(F)(F)F 1723975335 BLGXMTCGDNAJBN-CHWSQXEVSA-N 431.459 4.549 30 10 IJEE COCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CCC1 1730511221 HZANYLMUXMZWNE-SFHVURJKSA-N 441.551 4.504 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SC)C1 1740577808 QAEFEGJLTIEVKN-QFIPXVFZSA-N 426.630 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1CCCSC1 1740729581 JQEGMKINLSRUCE-IIBYNOLFSA-N 445.430 4.843 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCSC 1740807843 PHMTZFXJJIUAIW-UHFFFAOYSA-N 433.778 4.789 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@@H]1CCO[C@H](C)C1 1740939579 ZCXYNQUZAZABIG-NHCUHLMSSA-N 449.599 4.646 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cc(Cl)ccc2OC)C1 1740983393 HLJOPJDEIUMQOC-HXUWFJFHSA-N 430.980 4.502 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCC(F)F 1740997695 AOLHTSXFYODJML-UHFFFAOYSA-N 431.350 4.718 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1741000505 BLCVRAVKLMLNME-KRWDZBQOSA-N 439.398 4.984 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCS1 1743785278 ABJIGHQPGZVYED-IOMROCGXSA-N 425.602 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCC(C)CC2)nc1 1748659168 DCDIYYQDOAAGKS-IBGZPJMESA-N 449.002 4.736 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(OCCC)c1 1748689818 HXKQVMUNRCIYAP-UEVCKROQSA-N 438.616 4.686 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCC(F)(F)C1 1748906582 AFJPCOGDXTTWBM-QZTJIDSGSA-N 432.515 4.712 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1748907053 FRXVLOMMKLDJGN-ICSRJNTNSA-N 433.625 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@@H](F)C1 1749058412 HRNMNLOIGBGZGU-IQUTYRLHSA-N 437.382 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(N(CC)CC)CC1 1749123447 DPTBQBIOIVTCBG-QPPBQGQZSA-N 437.632 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1oc(CC)nc1C 1749154384 RGHRAKXHMWTOKZ-UHFFFAOYSA-N 432.528 4.910 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1749203952 NJRRYPDOXVJREE-PMACEKPBSA-N 430.980 4.871 30 10 IJEE C=C(Cl)Cn1c(N(C)C2CCN(CCC)CC2)nnc1C1(c2ccccc2)CCC1 1749281646 JPHWUXXFYVDINE-UHFFFAOYSA-N 428.024 4.811 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2OCCC2(C)C)CC1 1749336118 ZHTMCLNHEXKUKK-IBGZPJMESA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1749348696 WCOUUVBPOLDYLP-QHCPKHFHSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1749355185 CSSMJYYGZVDZJY-IRXDYDNUSA-N 430.618 4.895 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCC1CCOCC1)c1ccccc1 1749382062 JFVMDCRHVKBAAA-QHCPKHFHSA-N 433.600 4.896 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1749437473 IETALNMXQAMWAS-KRWDZBQOSA-N 434.878 4.997 30 10 IJEE C=CCCCn1c(N(C)Cc2nc3ccccc3s2)nnc1[C@]1(OC(C)C)CCOC1 1749440400 ZVXAOLHPEPVUMH-QHCPKHFHSA-N 441.601 4.531 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccc(Cl)c1 1749486465 CHOQPBJMOJSUJE-GOSISDBHSA-N 445.995 4.717 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nccs1)C1CC1 1749527457 FWCZMUILHDNTAR-UHFFFAOYSA-N 436.368 4.824 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H]2CCCCCC[C@@H]21)C(C)C 1749557013 FIILUSPHKNXFQV-JLLPCOHGSA-N 441.664 4.640 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(N2CCCCC2)c1 1751091323 HBYMCKGEGGIFOE-GOSISDBHSA-N 449.990 4.770 30 10 IJEE C[C@@](O)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)C1CC1 1751246697 BRRANYBVIYIOBT-JOCHJYFZSA-N 446.020 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCC1(F)F 1760111700 RMPCHVAZQHYLKZ-WMZOPIPTSA-N 425.483 4.884 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1760134357 KFIQDMABEZKOSX-UHFFFAOYSA-N 437.588 4.584 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1CC(C)(C)C1 1760215256 UAZIZSKNOPUOOC-UHFFFAOYSA-N 434.584 4.640 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1760243907 UGMVJUYDRCVYOD-HXUWFJFHSA-N 437.607 4.520 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760369973 CYOZHQKJEBDANY-RTBURBONSA-N 446.979 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760410529 IBPDENNEICVBGA-IBGZPJMESA-N 448.546 4.576 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OCCC)CC1 1760440428 JSZFVPWWDFZBDQ-DENIHFKCSA-N 426.561 4.542 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760441934 ZUOHAGWWQWEFKF-QFIPXVFZSA-N 439.623 4.923 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)CN1CCCCC1 1760457980 OCXVWBLNCGTSEP-HNNXBMFYSA-N 438.439 4.513 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1oc(CCC)nc1C)C1CC1 1760477217 SWCPSPXRVAILFO-UHFFFAOYSA-N 427.499 4.599 30 10 IJEE CC(C)(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC1(C)CC1 1760757721 FATMIWSJAZPZKJ-UHFFFAOYSA-N 434.632 4.641 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1CC1CCCCC1 1761077709 GQYKNOLTZVREHH-UHFFFAOYSA-N 433.604 4.863 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 1766886978 CAMYOSLUHHIWLG-RDGATRHJSA-N 438.595 4.725 30 10 IJEE O=C1Nc2ccccc2/C1=C1\SC(=Nc2cccnc2Cl)N(C2CCCCC2)C1=O 1772733585 NXEDHJMDQACVDM-LBCIXFEASA-N 438.940 4.994 30 10 IJEE Cc1sc(NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c(C)cc2=O)c(C#N)c1C 1859647622 ZUHJSBNEGHZTAQ-UHFFFAOYSA-N 433.320 4.650 30 10 IJEE N#Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 1860890158 QCWUSQALUGUFBL-QHCPKHFHSA-N 442.906 4.673 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861073078 VASCRHPRWQLZQE-RLHAVTDZSA-N 432.605 4.869 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C(O)C(=O)N1CCCN(C)C 1862379795 LDPJKMQXMSRACP-HXUWFJFHSA-N 447.362 4.832 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 1862383940 ZDBQBORXLWWLQA-SFHVURJKSA-N 438.282 4.747 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(OCC)cc2)cc1 1862393116 OFXAYGKUXHPVGU-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862416488 GXPZAKXSEXUNQO-IBGZPJMESA-N 435.854 4.622 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862462056 SZQDFQSKYXWYJY-FQEVSTJZSA-N 431.410 4.633 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)ccc1O 1862480334 DISVVYCTHOMKEP-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862538317 GMGNUHAFOBBMBJ-LJQANCHMSA-N 434.319 4.517 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590843 RHCLTYWQYANSRN-QHCPKHFHSA-N 431.463 4.742 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862618021 NDAQOZXMLLONEO-GGAORHGYSA-N 449.547 4.750 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccc(F)c2)c1 1862626814 GHGPZTLIODPXND-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(F)cccc1Cl 1862630851 COKHBXAOUBMCQI-HXUWFJFHSA-N 445.874 4.832 30 10 IJEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)[nH]1 1870001626 MEHMLDGHFYXFMH-UHFFFAOYSA-N 435.531 4.787 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CSc1ncccn1 1870224177 FBNFSQYFNFVANM-UHFFFAOYSA-N 437.565 4.663 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCCCC)c(=O)cc1CSCCO 1870254446 HBQJBDQRHTVQAR-UHFFFAOYSA-N 441.634 4.547 30 10 IJEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1F 1870350597 NJFVCKFCRMIGPE-UHFFFAOYSA-N 433.527 4.718 30 10 IJEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(Br)c(C)c2)cc1=O 1870810603 JWWGVKWKPDSMAW-UHFFFAOYSA-N 440.341 4.539 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)cc1 1871460075 URUIWIYETUSJRO-QRVIBDJDSA-N 432.451 4.525 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1871786452 ZPNKUQLXEBAQGX-IBGZPJMESA-N 441.380 4.978 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872166043 IZJYSQMRIYIKCA-REWPJTCUSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1)S(=O)(=O)C1CC1 1872273799 SAGAFCADAKVAAL-HXUWFJFHSA-N 436.936 4.529 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1cccs1 1872296017 AKBGVAABJDIRQP-LJQANCHMSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872515423 UAGXAAQGMHQABC-XMMPIXPASA-N 434.561 4.860 30 10 IJEE COc1cc(/C=N/Nc2oc(-c3ccc(Br)o3)nc2C#N)ccc1OC(C)C 1873462226 UFWOORXAHQHXJS-LSHDLFTRSA-N 445.273 4.811 30 10 IJEE O=c1c(Cl)c(N/N=C/c2ccccc2Cl)cnn1-c1ccc(Br)cc1 1873528504 ARUOFWKUDZHZKW-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 1873936969 UWDLMYDOZYFAHV-UZUQRXQVSA-N 434.602 4.531 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(O)c(OCC)c2)cc1 1874258011 ZJNWPSWRDUHBCY-BUVRLJJBSA-N 440.569 4.908 30 10 IJEE CCOc1ccc(Cc2nnc(SCCO)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874305023 CKPKWCIOTRTFKC-KOEQRZSOSA-N 438.597 4.532 30 10 IJEE CCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCO)cc1OCC 1874411063 GJSNDBVRZMMDJH-JJIBRWJFSA-N 446.617 4.555 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccs2)c1 1874465717 XYLBKKHVDJITQF-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE CCOc1cc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)ccc1O 1874467186 VZPFPXGIAQOLRJ-LFVJCYFKSA-N 434.521 4.859 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874476226 KKDUPHWVAPWHSJ-WSDLNYQXSA-N 429.477 4.548 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(SCCO)nnc2C(C)(C)C)cc1OC 1874486852 NQODCWAWRNAGQZ-XQNSMLJCSA-N 434.606 4.510 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(CC)cc2)o1 1874487323 ATVAYQXUTYFIQS-ZVHZXABRSA-N 440.569 4.983 30 10 IJEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)cc1 1874492313 ICJQNCMPZSKOHH-KWXFCVSUSA-N 435.597 4.637 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1c(Cl)cccc1Cl 1874526680 AHQGYSSYUXSQJM-ZVBGSRNCSA-N 439.324 4.701 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCc1ccc(C(=O)OC)o1 1874611762 UMEVCQNGUFVQDO-FMIVXFBMSA-N 436.460 4.949 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)o1 1874620674 NAUHPTOJZFWPDD-BJMVGYQFSA-N 434.444 4.703 30 10 IJEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c(Br)c2)cc1 1875101536 UGKUUPYNCKBIMR-WEVVVXLNSA-N 437.293 4.917 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)CCOC 1875110941 KYKCNISYUFZITP-ONNFQVAWSA-N 433.298 4.686 30 10 IJEE C#CCCCSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307256 IJIIWPHXAUGFBK-JOCHJYFZSA-N 437.561 4.904 30 10 IJEE Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)c1C 1892400471 UZQYEDUXLQAFSR-UHFFFAOYSA-N 447.560 4.523 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C12CC2 1925711675 YIAAYCYIPDTLBZ-DEOSSOPVSA-N 443.544 4.872 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]1C1CC1 2018418066 LYCIQMVTYIFGBP-HRAATJIYSA-N 434.541 4.606 30 10 IJEE CCC[C@@]1(C)CSC(=Nc2ccc(Br)c(I)c2)N1 2029944644 KHPKXAUOEDTDCO-ZDUSSCGKSA-N 439.160 4.936 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2cccc(F)c2C#N)CCN(Cc2ccccc2)CC1 2067210513 SKDNQAKVVJETJK-UHFFFAOYSA-N 438.547 4.669 30 10 IJEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(C(F)(F)F)c(C#N)c1I 2079003289 XIYBAWWMCKFECA-ZDUSSCGKSA-N 433.215 4.994 30 10 IJEE Oc1c2c(nc3c(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)(F)F)nn13)CSC2 2081499803 SOZPUOKLNXWVFX-UHFFFAOYSA-N 427.276 4.563 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2ccc(C#N)cc2Br)CC1 2106955539 HJUDXUPYILDLEX-MRXNPFEDSA-N 426.330 4.718 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCc2cc(Br)ccc2Cl)C1 2126625848 JDMKRKDVBXWJNY-UHFFFAOYSA-N 443.769 4.580 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)c1cc(Cl)c(Cl)s1 2157018558 LLXLTUOEHZWKSS-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C[C@H]1[C@@H](C(F)(F)F)N(c2ccc(Br)cc2C#N)CCN1C(=O)OC(C)(C)C 2174816811 IHKGLKGREUBKRZ-NHYWBVRUSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 2181104715 CJJKOIVNOWUPNO-MRXNPFEDSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(C)(C)C(=O)Nc1cc(Br)ccc1C#N 2181112322 NHSLNAFCXLOXLC-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE C=CCC[C@@H](CO)Nc1sc(Br)c(Br)c1Br 2212199313 BEYMBAKGPYJMDX-LURJTMIESA-N 433.991 4.775 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2ccccc2Br)c2ccccc21 2235734902 YBPZXFUBMLJIDC-QGZVFWFLSA-N 426.310 4.909 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2235745731 FDDJNXGULQVELG-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(Oc2cccc(OCc3ccccc3)c2)n1 2265934711 RRGWFOGMNWPDGP-UHFFFAOYSA-N 433.313 4.761 30 10 IJEE COc1ccc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)c(NC(=O)OC(C)(C)C)c1 2269682744 BJAUBIQRPLRXQP-UHFFFAOYSA-N 442.321 4.529 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@H](O)CC#CC1CCCC1 2289924189 HVMZNIVSOYAHCM-WOJBJXKFSA-N 436.390 4.830 30 10 IJEE CCN[C@H](C#Cc1cccnc1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2295833167 MYRJGHFELHLQBI-GOSISDBHSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@@H](O)C#Cc2cccc(Br)c2)CC1 2296219855 RZSFJLMKUOLCPZ-JGCRXCKMSA-N 440.353 4.585 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](C)CN1C(=O)OC(C)(C)C 2296221647 KLQGZECHLOMIPX-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)C#Cc1ccc(Br)cc1)c1ccccc1 2296223642 BXTYZXKJMPUQRX-JOCHJYFZSA-N 428.326 4.810 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296225078 QTJCHBMDNBOTQB-RNQOJCNYSA-N 434.374 4.730 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296268084 ACTFQDKHAPTDHH-HOJAQTOUSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(F)c1I 2296300730 LVJWLBIUDLHHFG-HNNXBMFYSA-N 444.085 4.505 30 10 IJEE COc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)c1 2314478376 SKXMIZVXINEAHY-VWLOTQADSA-N 425.484 4.873 30 10 IJEE N[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319723063 VYDSSVWVMPITHC-QYOOZWMWSA-N 425.528 4.740 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SCc2ccccc2C)cc(Br)c1O 2321086514 VTFSCFSFNZNGML-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322044439 QLADFQONOYWFJX-UHFFFAOYSA-N 427.884 4.693 30 10 IJEE CCN(CC)CCN1COc2ccc3c(c2C1)OC(=Cc1cn(CC)c2ccccc12)C3=O 2322170682 PBXZWANDCNEIFY-UHFFFAOYSA-N 445.563 4.771 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccc(Cl)cc2)cnn1-c1ccc(Br)cc1 2322617316 VVPLSNQZMWGFIR-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)c1 2322659591 XUFWGBKXPTUVNO-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3ccncc3)C4=O)oc12 2322860330 IOFRZVPNYQFVMX-UHFFFAOYSA-N 427.412 4.980 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)c(OC)c1 2322884497 PMTUMMPCEYZMBF-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(Br)cc(OC)c2OCCCO)cc1C 2322997531 UZFDDOLIJUXRAO-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE Cc1cc(O)c(CN2CCC(O)CC2)c2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2323999738 YFVAEWNWJAXTEU-UHFFFAOYSA-N 441.527 4.941 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OCC(=O)OC 2324305461 JDXSVJBHMSSFNA-UHFFFAOYSA-N 432.900 4.812 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)cc2)c(OC)cc1Cl 2324405742 UROADGYAZQSCOG-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1Br 2326374848 LHENUNUBRBJCRK-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2326379912 IVJJGZGCMDKKND-UHFFFAOYSA-N 439.541 4.809 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2ccccc2Cl)cc1Br 2326532728 LAQIGVDDUJPIOX-UHFFFAOYSA-N 437.750 4.877 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2327649387 CSHATNFJAPVOAR-UHFFFAOYSA-N 442.928 4.759 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330399385 ZHRLXCZYTAPEQM-UHFFFAOYSA-N 428.583 4.887 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)cc2)c1 2331036168 XXURITWRICVZOW-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE C=CCSc1nnc(COC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331592142 SCRNDVUEHRKEQF-UHFFFAOYSA-N 428.945 4.817 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345690167 JPOCTYASIKAPJM-UHFFFAOYSA-N 444.312 4.968 30 10 IJEE COc1cc(/C=C/C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1OCC#N 15790400 YVMUGKGDDWAYPJ-FYWRMAATSA-N 426.516 4.949 30 10 IJEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2cccc(Br)c2)n[nH]1 59892186 MXKAKAVPGRBUDE-CIAFOILYSA-N 439.383 4.522 30 10 IJEE C=CCn1c(=O)c(-c2nc(-c3ccc(F)c(Br)c3)no2)c(O)c2ccccc21 101231566 WEFDBQHPNXAKFW-UHFFFAOYSA-N 442.244 4.512 30 10 IJEE C/C(=N\CCc1ccccc1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 105302061 FJSUDAYYIAIZLG-DHRITJCHSA-N 430.455 4.846 30 10 IJEE Cc1cc(C)n(Cc2cccc(CNC(=O)/C=C/c3cn(CCC#N)c4ccccc34)c2)n1 108723498 OJRTYQTXPHZWAE-VAWYXSNFSA-N 437.547 4.746 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 169955149 WMIFMOAQGNXGOD-HSZRJFAPSA-N 430.504 4.741 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OCC(C)C)c1 170040260 GTGFOMMNHAUIHO-NRFANRHFSA-N 443.927 4.600 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 170068940 ZNZNBVRNPHSTJY-FQEVSTJZSA-N 434.319 4.537 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(C)o1 170102719 YLVWYLGMTOWBOI-QFIPXVFZSA-N 435.451 4.557 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccs2)c1 170154087 IZYNEMWTFIHXMZ-KRWDZBQOSA-N 426.519 4.613 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)cc1Cl 170376551 ZSSALSXDXDKDFW-LJQANCHMSA-N 427.815 4.864 30 10 IJEE N#Cc1cc(Nc2ncnc3sc(-c4ccccc4)cc23)ccc1N1CCC(O)CC1 301469784 ODEUSAGYNLSPFQ-UHFFFAOYSA-N 427.533 4.935 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCc2cc(OC)c(F)cc2C1 460586494 SLKXYRCGZNMAJH-UHFFFAOYSA-N 431.515 4.568 30 10 IJEE COc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)c(OC)c1 460896200 GRHPGPLJIXVTOI-JOCHJYFZSA-N 431.540 4.831 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(-c2ncccc2C)n1Cc1cccs1 461493494 SZHGDYIMHJSSLQ-UHFFFAOYSA-N 446.536 4.859 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2onc(C)c2C)c1 461547902 UXBNYYLDZIDEIP-UHFFFAOYSA-N 445.928 4.578 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCOC1 461709268 YKZGRPNZHBKQBC-GOSISDBHSA-N 433.581 4.727 30 10 IJEE O=C(N[C@@H]1CCCC(F)(F)C1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 488978602 MZFWOTHRSJJBEO-LLVKDONJSA-N 435.311 4.877 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 520781199 LOEFWWKPWBJRPZ-AMHTUMDSSA-N 436.552 4.671 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)cc(Cl)c1OC 526491953 PJWONFZAQGJSPJ-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE N#Cc1ccc(CSc2nncn2/N=C\c2ccc(OCc3ccccc3)cc2)cc1 526822857 MWZMHAPXMOKIGR-DICXZTSXSA-N 425.517 4.903 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 549264998 YPMAGPHXSRFLKY-HZPDHXFCSA-N 449.368 4.676 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 549292454 SFMVUWQDRHEJGN-UHFFFAOYSA-N 449.643 4.695 30 10 IJEE COc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2ccccc2)cc1OC 558906381 HIEAZWCUIBRSJV-UHFFFAOYSA-N 439.519 4.519 30 10 IJEE N#CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccccc2)CC1 558929202 XHCMQBJUPVPDMN-UHFFFAOYSA-N 442.350 4.952 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(c2ccc(O)cc2)CC1 579777030 BGHBXTBJDIBHQD-UHFFFAOYSA-N 436.581 4.855 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(B3OC(C)(C)C(C)(C)O3)cc(C3CCC3)n2)C1 607718024 SCORTSOYMRHFKY-GOSISDBHSA-N 442.409 4.763 30 10 IJEE CCCN[C@H](CC#CC(C)(C)C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702472611 UPSKJTLMOLMMBA-PKTZIBPZSA-N 429.649 4.820 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)[C@@H]2CCCN[C@@H]2C1(C)C 703233707 HOCHMYFQCDKITP-LLGFUMIMSA-N 434.378 4.861 30 10 IJEE Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)n1 732680196 AQEGALDYEHHNGZ-MRXNPFEDSA-N 428.416 4.555 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)Cc1csc(-c2ccc(F)c(F)c2)n1 735350611 ZREGXKHZFGIORA-UHFFFAOYSA-N 434.851 4.930 30 10 IJEE CC(=O)[C@H](Cc1ccc(Cl)cc1F)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 768697184 MPXFJULQCBWQBN-NRFANRHFSA-N 438.842 4.895 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 784617856 RANCPNGDKOFDNL-QGZVFWFLSA-N 434.270 4.594 30 10 IJEE Cc1ccccc1Sc1ccc(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 787056558 PAVZVJSNAIZAGF-OAQYLSRUSA-N 445.500 4.693 30 10 IJEE N#Cc1cccc([C@@H]2CN(c3nnc(-c4ccccc4F)n3Cc3ccccc3)CCO2)c1 802128641 UJBRCYYVPXHCSK-DEOSSOPVSA-N 439.494 4.582 30 10 IJEE CC/C(=N\OCc1ccc(Br)cc1F)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 821223728 PSIWIPGMSRYIDL-QLDUDCQJSA-N 435.293 4.663 30 10 IJEE C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918544449 GHRXDCMPJDVFRP-IWZUTMLHSA-N 442.585 4.505 30 10 IJEE C#CCN1CCC(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(C)cc4)c3C)cs2)CC1 1124341946 CZIODQSOHCTUMC-UHFFFAOYSA-N 432.593 4.810 30 10 IJEE C=CCN(C(=O)c1ccc(-c2cnn(C)c2)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124413655 MFVDHSYCQDVCRM-UHFFFAOYSA-N 435.465 4.545 30 10 IJEE COC(=O)c1ccc(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 1124738529 HSOUIBWYBNYYES-UHFFFAOYSA-N 434.879 4.763 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1 1125778904 YBSGCZCDZJSEES-KRWDZBQOSA-N 436.483 4.594 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1126236598 YISSIAKEISIDSM-NRSPTQNISA-N 428.573 4.826 30 10 IJEE C=CCOc1ccc(OC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)cc1 1126533243 MZLZOXDPRQIFKM-GOSISDBHSA-N 449.528 4.611 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 1136718011 HHVNLKZDPLQNSH-FQEVSTJZSA-N 440.298 4.920 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)c1ccc(Cl)cc1F 1211815231 FSAIBWXBKHFYAQ-OAHLLOKOSA-N 437.117 4.548 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1)c1ccccc1 1224523712 WSIZARRRHQKYJJ-WIYYLYMNSA-N 431.374 4.607 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@@H]3CCCc3ccccc3)C2=O)cc1 1234023158 FIJJBHWGLDLPQC-NOZRDPDXSA-N 444.579 4.641 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)CC1 1248407467 RUOVNCVNQIMSDU-HARLFGEKSA-N 442.506 4.725 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1251603063 UMEBRDCVPYHYHN-FQEVSTJZSA-N 447.624 4.589 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCC[C@H]1C 1286279002 SELYCRVCADHXFL-RAZUEPIFSA-N 445.007 4.697 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(C(C)C)C(C)C 1286437561 OTCHLZGHUSAZOS-UHFFFAOYSA-N 432.616 4.770 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)Sc1ccccc1 1286573640 NJFZRAFPXLQGHD-KRWDZBQOSA-N 439.585 4.589 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286717647 FIJDYBMYGVQQKI-SFHVURJKSA-N 431.968 4.620 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286720771 XARZACYTGUBILF-AWEZNQCLSA-N 444.004 4.859 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC1(c2ccccn2)CCC1 1286721595 ZNMTWNDTXLWVPV-UHFFFAOYSA-N 438.373 4.847 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCCC1(C)C 1286730538 IIKVESKDSWXLKH-NRFANRHFSA-N 439.387 4.727 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NC(CC)CC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286751188 CEJPWHHUUQFICX-DOTOQJQBSA-N 427.515 4.669 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2c(C)coc2C)C1 1286800317 JOCPIIRSYKWYPU-GHTZIAJQSA-N 440.519 4.597 30 10 IJEE C#CC[C@H](COC)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1287423624 KQTFYZNOXLNJLS-NXLVEIQXSA-N 445.625 4.551 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 1295027189 CXVGHJIPXDOKIV-CRAIPNDOSA-N 446.523 4.611 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1300363642 FUMAMFYVWIKJSI-XMMPIXPASA-N 429.008 4.508 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(N(C)C)cc1 1300441527 QVLGOVFKWCFMJE-SFHVURJKSA-N 433.625 4.510 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1300564799 HGVAHWNDWBDQRL-RBBKRZOGSA-N 439.003 4.903 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC1CC(F)(F)C1 1300641554 CNCBYZFTXVOCMT-UHFFFAOYSA-N 445.876 4.818 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@H]1C(=C)C 1300650001 QURTUFZVJUVDIJ-DHLKQENFSA-N 436.575 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccnc(OCC(F)(F)F)c1 1300921106 MUCVLUBGARNFJJ-UHFFFAOYSA-N 437.510 4.798 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CCC)C1)c1ccccc1 1301165222 FIILVFPKPWQDLO-ISKFKSNPSA-N 431.584 4.629 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1Cc1csc([C@H](C)OC)n1)C1CC1 1301321099 VXCXYPXNVSTOBZ-AWEZNQCLSA-N 429.977 4.966 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)nc1 1301401642 FIJPDGFNTHILBR-UHFFFAOYSA-N 444.608 4.621 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCCC1(C)C 1301406356 QHUWVMAZRGOBBI-VWLOTQADSA-N 438.547 4.854 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3Cc4ccccc4N(C(=O)OC(C)(C)C)C3)cc2n1 1311238173 WGPQCCVLYMWCKB-HXUWFJFHSA-N 447.539 4.710 30 10 IJEE C[C@](NC(=O)N[C@@H](CO)c1ccccc1C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F 1311269807 GSBRUXRBCWWOBE-RDJZCZTQSA-N 438.343 4.655 30 10 IJEE C#C[C@@H](NC(=O)NCCc1cn(C)c2cc(Cl)ccc12)c1ccc(Br)cc1 1312508336 VRSNPQWQTVPETN-LJQANCHMSA-N 444.760 4.810 30 10 IJEE C=CCCSCCNC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 1312976973 LDZSWFNHPTVMTE-UHFFFAOYSA-N 443.588 4.546 30 10 IJEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(F)(F)F)CC2)CCC1 1315843561 HSFKIOYGGOALQK-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1ccccc1 1348518590 GQDLSNBQRMJBEU-SLFFLAALSA-N 426.582 4.652 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C=C)ccc1Cl 1356156794 PYXZTRPOMMUECS-AWEZNQCLSA-N 439.364 4.679 30 10 IJEE Cc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)ccc(Br)c1F 1357457964 CZGLNUQYQZRZKJ-UHFFFAOYSA-N 433.668 4.860 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C1CCC(C)CC1 1359054893 LKPBFCDVZNKUFV-UHFFFAOYSA-N 435.597 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCc1c[nH]c2ccc(F)cc12 1359114965 GIHJWXSUVFNGOZ-UHFFFAOYSA-N 438.576 4.899 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359210523 WRVLREYYUKOVHK-MRXNPFEDSA-N 433.478 4.730 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2sccc2C1 1359224321 MZDGSOIHEBBVJZ-UHFFFAOYSA-N 444.988 4.824 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CCSC2)C1 1359224506 UKWRUAGQKBKHHW-NRFANRHFSA-N 436.984 4.664 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1359286120 WERYSJPKPHDBHJ-AWEZNQCLSA-N 436.869 4.841 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1 1359794769 WWLBECJVJANBER-UHFFFAOYSA-N 426.495 4.511 30 10 IJEE C#CCN(C(=O)C/C=C\c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1360310596 IZMNFKJQLYNLTL-HZQHCPKGSA-N 428.301 4.977 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(OC)c(OC)cc2Br)c1 1361103608 FLJMPARGYZAPPQ-UHFFFAOYSA-N 440.293 4.888 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 1436066435 XKJPXUROVZUDDR-GOSISDBHSA-N 432.973 4.806 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCOc1ccc(C)cc1Br 1436212480 FNDPKLOGEGSOHZ-UHFFFAOYSA-N 434.378 4.909 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CCOC)Cc1cccc(Br)c1)c1ccc(Cl)cc1 1436647341 BKSBBTURNAHWBX-PXNSSMCTSA-N 434.761 4.788 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2(C)CC=CC2)c1 1437218473 ADAKOSMJVBKWHB-UHFFFAOYSA-N 430.957 4.560 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H](C)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1443408663 MSHRMOUNVMQPGY-LJQANCHMSA-N 438.527 4.806 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(C(F)F)cc2F)nc1C 1443492672 JIXPDNHCMHTEAJ-UHFFFAOYSA-N 425.461 4.514 30 10 IJEE COc1cccc([C@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCN2)c1 1454465473 FASDYOMTAYPHGV-HSZRJFAPSA-N 447.922 4.799 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccccc1OCc1ccccc1Br)C(=O)OC 1455836202 LDQCMZFMRQHGIC-LJQANCHMSA-N 446.341 4.656 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(C)Cc2cscc2Br)ccc1Cl 1460714492 AOBQLNJVQXUFLF-UHFFFAOYSA-N 440.794 4.851 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1F 1460790016 QKMWBXZHXRGFDR-DHIUTWEWSA-N 434.898 4.831 30 10 IJEE CC[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)Cc1cccc(Br)c1 1463123604 FHXQSPQGZJAIJH-CYBMUJFWSA-N 441.778 4.521 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc2ccc(Cl)nc2cc1F)c1ccc(F)c(F)c1 1463550156 CEQLVVZOKLKKJX-IBGZPJMESA-N 426.847 4.901 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C 1465676179 DEQVZJRFECVIGF-CXAGYDPISA-N 425.356 4.746 30 10 IJEE COc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1C#N 1467164394 DTDCYPWAFCMCTC-NRFANRHFSA-N 432.549 4.549 30 10 IJEE C#CCC1(NC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CCOCC1 1468111022 DMRKUFNXIDJGKZ-HXUWFJFHSA-N 445.332 4.549 30 10 IJEE CC(C)(CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 1468354766 AHTFYOKAXMFZSC-IBGZPJMESA-N 445.394 4.691 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1468505884 BYFXOPAYPXOAQZ-FOIQADDNSA-N 432.442 4.723 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](CC#N)C1 1470047275 BOFLJHUQIGOJAF-CLOONOSVSA-N 445.563 4.702 30 10 IJEE C#C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 1472575088 GYNPMRQFUFMHIN-ZEQRLZLVSA-N 446.934 4.668 30 10 IJEE C=CCn1c(SCC(=O)NCCC(C)(C)C)nc2sc(-c3ccccc3)cc2c1=O 1472968830 XRKTVNNDMNZGCP-UHFFFAOYSA-N 441.622 4.956 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](c2ccc(F)c(F)c2)c2nccn2C)cc1OC 1474293265 PGLFLHMYRBLTAK-HXUWFJFHSA-N 433.886 4.804 30 10 IJEE CCN(CC)CCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1501943891 ADSPFJQFYFILNL-SANMLTNESA-N 445.615 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cscc1C(F)(F)F 1507535943 KHHQZBOIIRPNMP-LBPRGKRZSA-N 440.441 4.734 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1507557444 QOYZHSOJWPFVRR-VQTJNVASSA-N 431.625 4.678 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](CCOC)C1 1507573722 JIBBDTOJGUWQNJ-UXHICEINSA-N 445.007 4.965 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](SC)C(C)(C)C 1507665539 XEKPZEFXZTWJSP-FQEVSTJZSA-N 445.032 4.848 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1507910771 DRPWUYXHUCIZPN-HDICACEKSA-N 440.588 4.665 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[C@H]1CCCCO1 1507974779 JMAAEUUHDMHNBA-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1CC1([S@@](C)=O)CC1 1508009577 SQHKEEOGKGXSCQ-SSEXGKCCSA-N 440.638 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cnn(C)c1C 1508015154 LGMPUJPWFAFGMC-UHFFFAOYSA-N 445.596 4.646 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCN1CC 1508015367 SRPMMFZGTNFDMD-ICSRJNTNSA-N 425.646 4.794 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C)CCC2)C1 1508115715 PIDNIOQFGNOCTL-GOSISDBHSA-N 431.378 4.679 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1515210606 GFOMWOOSZNKTAF-UEVCKROQSA-N 439.604 4.663 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc(Oc4ccc(Cl)cc4)c3)C2=O)cc1 1515370625 FAXQVIDOGUEDQD-HSZRJFAPSA-N 445.906 4.929 30 10 IJEE CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2cccc(Cl)c2O1 1515425688 GXYMNTQYYOZHTM-QGZVFWFLSA-N 427.907 4.771 30 10 IJEE CN(CCn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)C1CCCC1 1517310712 BDMDAFBOZDKWLW-UHFFFAOYSA-N 426.996 4.603 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)CCCC1(C)C 1519869833 CCXDHNAFTGCKAU-INIZCTEOSA-N 442.297 4.715 30 10 IJEE C#Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 1522546992 IONXWFHFFZECCX-DHLKQENFSA-N 428.557 4.839 30 10 IJEE C=CCN(C(=O)/C=C\c1ccc2c(c1)OCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524295407 JHRGIEIQUAZUQQ-WMZJFQQLSA-N 435.461 4.679 30 10 IJEE C=CC[C@H](OC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)c(Cl)c1 1524463502 HJAMDSVCKOKFFG-AWEZNQCLSA-N 434.728 4.920 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Br)cc1 1525055216 YWOOAOCHTPOYPQ-FQEVSTJZSA-N 432.277 4.612 30 10 IJEE CC(=O)N(CCC(=O)OCc1ccccc1Oc1ccccc1C#N)Cc1ccccc1 1525880351 FMMDUHPFOAXXPZ-UHFFFAOYSA-N 428.488 4.833 30 10 IJEE Cc1cccc(NC(=O)COc2ccc(CCNC(=O)c3ccc(C#N)c(Cl)c3)cc2)c1 1528175425 DSDXUGCTMPFZKT-UHFFFAOYSA-N 447.922 4.510 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1539336744 DYGYSWSHDBVWEN-ZWKOTPCHSA-N 448.464 4.753 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539504459 HIZKDVONZFCXJF-OKILXGFUSA-N 442.938 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1ccco1)N(CC)CC 1539541024 XFJNSHFBCTVNTI-BKMJKUGQSA-N 447.583 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCC(C)CC1 1539546375 IYNFEUDJWXVCKG-HHHXNRCGSA-N 433.644 4.967 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC=CCC1 1539643640 XFAZFOKLYJPTHD-LAUBAEHRSA-N 431.005 4.971 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(C(N)=O)c1 1539654822 DLTDSDDFAOQKJQ-UHFFFAOYSA-N 449.624 4.825 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1539735478 OBRLVYANXVIOSC-UHFFFAOYSA-N 429.524 4.605 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1539888618 SPJKQQBAVYXFBB-IFMALSPDSA-N 427.593 4.598 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1539953788 VGDZMAHRBPFSKP-WHSBFGAESA-N 438.616 4.951 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@H](C2CCC2)C1 1539974702 FJWQUBJHLUQGQP-YPAWHYETSA-N 430.637 4.806 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1nc2c(s1)CCCC2 1540048467 VVPUHJAIXPIPOA-INIZCTEOSA-N 441.576 4.757 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)c1c(C)noc1C 1540186463 CFLRQRGMQRFAAU-LAUBAEHRSA-N 439.560 4.756 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(OC(F)F)c(Br)c2)cc1 1540674431 SLGMDJCIHQCZGT-UHFFFAOYSA-N 440.244 4.610 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCC)[C@H]3C[C@@H](OCC)C34CCCC4)n[nH]2)c1C 1543998081 TXTGGYNTTGUADN-FCHUYYIVSA-N 439.604 4.666 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C#N)CC1)N(C)C 1545804956 FLWZVWQXDQXITD-OAQYLSRUSA-N 434.588 4.798 30 10 IJEE COC1(CCn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@@H](C)CC#N)CCC1 1554707075 GGNYIYZBGQPEAY-IRXDYDNUSA-N 427.618 4.829 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cnc(Br)c(Br)c1 1562489100 VHKQWLQNSZNYNI-UHFFFAOYSA-N 443.114 4.966 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)[C@@H](C)c1ccccc1C(F)(F)F 1564373689 CBOLMVZRPXQBFV-CABCVRRESA-N 436.503 4.662 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccc(Br)cc1 1564999964 QXCJXZQJDXVVAZ-LJQANCHMSA-N 449.295 4.655 30 10 IJEE C#C[C@@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccc(Cl)cc1F 1583584919 GZVBIYNMWOSXIK-LJQANCHMSA-N 446.309 4.981 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 1587549350 IYPKGUUTMXYDRQ-SFHVURJKSA-N 432.486 4.864 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1587738973 MVNMZLGEGPPILF-GOTSBHOMSA-N 431.584 4.937 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1587770194 VXQMMSBMSXFHDU-UHFFFAOYSA-N 442.051 4.882 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C=C)CC1 1589026098 BKBPZGLIEKSPTO-UHFFFAOYSA-N 440.613 4.510 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(CN2CCCCCC2)CC1 1589544210 GAWVQUGRZYNVBG-ILBGXUMGSA-N 443.680 4.550 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC1CCN(CC)CC1 1589609228 VCCDTKQMUHOASM-UHFFFAOYSA-N 449.441 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)c1cccs1 1589676482 XFLZZAZJXURWID-XMMPIXPASA-N 435.597 4.653 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(C#N)C1 1593711660 GJYYWCQJNSCICQ-DEOSSOPVSA-N 439.629 4.998 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1594552495 NZJUUEHZUZKRLG-RXFWQSSRSA-N 449.599 4.524 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1594600353 RZCXIUJTINFVAX-HXUWFJFHSA-N 439.585 4.653 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(CC(C)C)c1C 1594857971 VAKUCRQVTOCQQG-GOSISDBHSA-N 442.995 4.903 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CCc1nc(C(F)(F)F)cs1 1594923216 JKYPWJHLVWWQKX-UHFFFAOYSA-N 444.486 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OC 1595191784 YHOZCWLSBIUIJL-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1595196059 JTCFYIAYWBYESA-RTBURBONSA-N 444.023 4.665 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCCCC1 1606957407 FZAZHGKQPHJORL-UHFFFAOYSA-N 434.588 4.888 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@H]1C 1614758309 AFFHMXPSFIMNLT-HXUWFJFHSA-N 448.640 4.822 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](c2cccc(Br)c2)C1 1618026484 DAEQOBRKXSYHFN-BBRMVZONSA-N 432.749 4.791 30 10 IJEE COc1ccc([C@@H](C)CCn2c(Cc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1619154164 BMSQOUHNLNKDDB-FNZWTVRRSA-N 444.583 4.596 30 10 IJEE C=CC[C@H]1CCCN(Cc2nc(O)c3cc(Br)cc(Br)c3n2)C1 1620214682 LJTOOEBPPURRKO-NSHDSACASA-N 441.167 4.649 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNCc2nc3cc(Br)ccc3o2)ccc1OC 1620792568 AJDUJQUAAHJEFA-HNNXBMFYSA-N 430.302 4.570 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)c1ccc(F)c(F)c1 1622047150 KFKCIJIIBYPTAR-INIZCTEOSA-N 436.705 4.976 30 10 IJEE C=C(CCC(=O)OC)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 1622377213 CHUKGOHIUBUAHL-GFCCVEGCSA-N 437.359 4.568 30 10 IJEE C=C[C@@H](C(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O)c1ccccc1 1623570398 MWRNTLJSNIUGKM-UXHICEINSA-N 441.369 4.647 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(CC)on2)c1 1623807857 RFCJDTDJMUQDLF-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccc2)nc2n1CCCC2 1629673193 MNGHBJJCRMXNLW-KRWDZBQOSA-N 444.963 4.861 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1c(C)cc(Br)cc1C 1631579490 JPYOLIHTHDATCZ-UHFFFAOYSA-N 440.341 4.746 30 10 IJEE C=CCOc1ccc(CC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1 1636900726 PQCYMXUYKPWOLF-NDEPHWFRSA-N 427.544 4.657 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccccc2C)nc2sc3c(c2c1=O)CCCC3 1643476675 NVRKWAJAVDQRJZ-UHFFFAOYSA-N 439.606 4.952 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)s1 1645501235 BCZDMKKEGUSEQH-KRWDZBQOSA-N 436.965 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1649538248 BADDWBOSJIQZNH-VWLOTQADSA-N 433.556 4.946 30 10 IJEE C=CCn1c(SCc2ccc(OCC(F)(F)F)nn2)nnc1-c1ccc(Cl)cc1 1652406249 MPDACFNZCNFFHW-UHFFFAOYSA-N 441.866 4.808 30 10 IJEE C=CCn1c(SC[C@@H]2CCC[C@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CCC3 1652447863 UVDWZEWHONVJPB-SMDDNHRTSA-N 430.517 4.725 30 10 IJEE C=CCC[C@@H](NCCOc1cccc(S(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1653911473 SHFFJDROPCUDMM-HXUWFJFHSA-N 427.488 4.785 30 10 IJEE C=CCCC[C@H](NCC(=O)Nc1ccc(I)cc1)c1ccccc1 1655463595 RYHCVPHWBBQCFP-IBGZPJMESA-N 434.321 4.917 30 10 IJEE C=CCOc1cccc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)c1 1656039540 NRXBCZKBJIDPAE-UHFFFAOYSA-N 427.592 4.863 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1660122629 CAYHDIGALQTDCP-SXGZJXTBSA-N 433.430 4.990 30 10 IJEE C#Cc1ccc(S(=O)(=O)NC2(c3ccc(C)cc3Br)CCCCC2)cc1 1664581668 RKFOLIMFFOYXCE-UHFFFAOYSA-N 432.383 4.877 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 1668405269 OMXUBOHXWCNDSD-UHFFFAOYSA-N 426.904 4.652 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1 1670053442 BGBUZXUURQFQTB-FQEVSTJZSA-N 434.565 4.622 30 10 IJEE N#Cc1cc(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)ccc1OC(F)(F)F 1670745325 CNZIAMWBVPPZOR-AWEZNQCLSA-N 442.800 4.650 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1673507657 CNAFROZZZJCEQR-YPAWHYETSA-N 440.588 4.515 30 10 IJEE C#C[C@@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12)c1ccc(F)cc1 1674015145 RKRZDYBNFBTTBH-OAQYLSRUSA-N 430.458 4.762 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3)CC2)cc1 1680388992 AYGKXCCJDWWAKR-IBGZPJMESA-N 426.923 4.519 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccc(CC(=O)OC)cc1)c1ccc(C(F)(F)F)cc1 1680855069 JJWWJEXNHHIHDV-FQEVSTJZSA-N 434.458 4.928 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)C(C)C 1681567447 FSTFDNHEFRWPHI-NRFANRHFSA-N 430.662 4.610 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1681942418 MQMXKGSPVCZVMD-CMOCDZPBSA-N 427.589 4.651 30 10 IJEE C=CC(C)(C)CNC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1682601026 DPTHMUPMIMTMPZ-IBGZPJMESA-N 443.588 4.791 30 10 IJEE C=CCc1cc(CNC(=O)N2CC[C@H](c3cccc(OC)c3)C2(C)C)cc(OC)c1OC 1683366800 CSOSUIXNFDOYCE-JOCHJYFZSA-N 438.568 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H]1CCO[C@H](C)C1 1689838977 BEGYFKLWQOIFGG-ARFHVFGLSA-N 449.368 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1c(C)coc1C 1689839902 OSSFGSJOWZLHKU-ZDUSSCGKSA-N 431.309 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1csc(C(C)C)n1 1689841745 NFUQYBYWSFRDOT-KRWDZBQOSA-N 430.581 4.774 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCCOC1 1689878530 LPTGWKGWTREXCY-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@H](c2ccccc2C)C1 1689948873 JBYZMIZIUQRURN-SAABIXHNSA-N 438.373 4.543 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(CC)CCc1cccs1 1690241562 UIQCAMZCRZTIFA-GHTZIAJQSA-N 426.586 4.958 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCC(F)F 1690241957 ZGHLXEBVTJHPOA-UWJYYQICSA-N 427.499 4.566 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1690362930 UVAZFPVAXUFAMA-UYAOXDASSA-N 445.652 4.583 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)COC)CC1 1690402810 QOIXMCYUGBZUJE-UHFFFAOYSA-N 433.394 4.783 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2C[C@H]2C)CC1 1690402928 VNYXHAWMFCBFJR-ZBFHGGJFSA-N 431.378 4.775 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCCC[C@H]2C)CC1 1690413379 QOMMXKRZTXZBRF-OAQYLSRUSA-N 437.632 4.544 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)C[C@@H](C)C(=O)NC 1690475485 UDRYVROUIXMRKG-MRXNPFEDSA-N 441.576 4.597 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1(O)CCCCCC1 1690556448 XIIASSKRLAAWID-UHFFFAOYSA-N 447.583 4.627 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1Cc1cn(CCCCC)nc1C 1705673644 HQIXHCSAXYCKQG-AREMUKBSSA-N 430.600 4.989 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCOCC2(CC2)C1 1705748058 ARLWQLBSADQYQZ-UHFFFAOYSA-N 430.980 4.739 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2ccc(C)cc2)N2CCCC2)C1 1705915746 LSXNUMNHOXJPGB-QTJGBDASSA-N 437.632 4.718 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC(OC(C)(C)C)C2)C1 1705920093 QBORMGRUQDNTIZ-APKLWFBNSA-N 449.599 4.582 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccs2)cc1 1706472440 FUQYTINBVMWDPA-QHCPKHFHSA-N 439.560 4.922 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1 1707928668 BTNZKTSVQQAJCE-KRWDZBQOSA-N 448.571 4.764 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1712793099 GOWKRIHNFYVDET-GOSISDBHSA-N 434.613 4.767 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)COC 1722283729 GTOBMSBBVHSJLR-MRXNPFEDSA-N 426.561 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1722284677 ZCLQOZQMRVWESM-LAUBAEHRSA-N 444.645 4.977 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1722337485 BKHXKPVMTJEXHO-IRXDYDNUSA-N 431.378 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H]1CCO[C@H](C)C1 1722392960 OZTXIZVXTFZVQS-MSOLQXFVSA-N 445.394 4.920 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(C)(C)c1cccs1 1722418690 YVUQJANEDKDURA-UHFFFAOYSA-N 446.555 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(C)cc1 1722468141 JJXQGUBAVUBLPE-JOCHJYFZSA-N 438.373 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nccs1 1722470193 QXEQODHZGDYMCB-HXUWFJFHSA-N 432.380 4.943 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@](C)(CC)C1 1722528377 FPJDLFUARWHGMM-OFVILXPXSA-N 442.604 4.633 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2)C1 1722558069 CQMSPQNUJQYKBW-VAMGGRTRSA-N 430.980 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(COC)CCC2)CC1 1722562449 ATHDSSIZEWBAHC-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1722588506 VHKPODWDZLLDOD-UHFFFAOYSA-N 443.611 4.943 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCc2oncc2C1 1722599721 GSPXNZURFWBDLT-UHFFFAOYSA-N 428.334 4.615 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1722619724 IQAQEICCKKXDRO-UHFFFAOYSA-N 440.588 4.562 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](c2ccco2)C1 1722625300 ONALLYDKJMTILW-MRXNPFEDSA-N 430.911 4.917 30 10 IJEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C)C1CC1 1722650620 GZVYPHRRBPEMLN-LJQANCHMSA-N 447.624 4.568 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1722652715 NIYDMIUTFDZABV-MOPGFXCFSA-N 428.024 4.798 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722683136 HAHJRDNBFSWQJT-SFHVURJKSA-N 446.523 4.980 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(O)(CC)CC)C1 1722717859 NQYKODUXBMEGEB-NRFANRHFSA-N 426.605 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)Cc2cccs2)C1 1722720541 DMDLKAJUBXOUHV-AZUAARDMSA-N 440.588 4.730 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(OC)c1 1722740798 YXGQLXCLXDWJDJ-NHCUHLMSSA-N 444.645 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(CC)s1 1740538595 INIPLJMDAOURLD-CQSZACIVSA-N 429.387 4.838 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740654158 FDGNNZMNNLQDGD-PMACEKPBSA-N 446.492 4.840 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(OC(C)C)c1 1740758429 XMASANLAAZOOBT-ZJSXRUAMSA-N 447.583 4.745 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCS[C@@H](C)[C@H]1C 1740806582 VDSKEWIVMWWRBE-OLZOCXBDSA-N 427.799 4.790 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740904228 CKKBARPRIFTMHF-MUJYYYPQSA-N 439.387 4.990 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(COC)CCC1)C1CC1 1740908414 XMVLMAJGZRBKOK-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740949205 ABMPIYSUZJWBBQ-MISYRCLQSA-N 430.980 4.614 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)S[C@H](C)C1 1740997972 GHZAQZJGDOXUSI-GASCZTMLSA-N 439.050 4.857 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cc(C)cs1 1749022597 KUTCQXWJFJTNQV-KRWDZBQOSA-N 444.601 4.930 30 10 IJEE C=C(Br)Cn1c(N(C)CCCOc2ccc(F)cc2)nnc1C(C)(C)C 1749112998 SUWRMCJGHYSMAE-UHFFFAOYSA-N 425.346 4.529 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)OC 1749119630 VBMKTOHXDIFGCT-LMMKCTJWSA-N 434.968 4.667 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1749156300 UUDVUBATLKATJW-XMMPIXPASA-N 448.615 4.832 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCCC[C@@H]2C)CC1 1749335304 OHJSZXNWDKBVMP-NRFANRHFSA-N 432.616 4.874 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1749345593 NCAKYUVJDJYGDB-QFIPXVFZSA-N 442.677 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749376843 GNWNOWKCTHRHNA-NRFANRHFSA-N 442.526 4.620 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1749449168 JRKPLZIKYJALSN-GOSISDBHSA-N 448.970 4.583 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1749478702 IMEVHZORTODXQQ-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CSCCS1)C1CC1 1749508262 MRARGQBGROMHGU-HNAYVOBHSA-N 434.606 4.561 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCNc1ncc(Cl)cc1Cl)C1CC1 1749516349 ZWROFWWDFRYQLB-UHFFFAOYSA-N 444.370 4.617 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(C)(F)F 1749564942 GHLFXBKSOHLMAM-UHFFFAOYSA-N 441.320 4.940 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1749641075 UKLUQUBKVDJSFW-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1760274127 GLJAYKNGBQXWLZ-OALUTQOASA-N 442.604 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCSC1(C)C 1760297456 UPLXPFBJCJWLFR-NBGIEHNGSA-N 438.641 4.596 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760316724 WEGMICZRQDJVID-PPGORRQASA-N 430.637 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1 1760318170 DSSDUESFDILDTF-RXVVDRJESA-N 425.964 4.710 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1760350018 NRJDYTQXGJFCLK-WCRBZPEASA-N 443.636 4.954 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2sccc2C)CC1 1760383304 MKTLFMAEVIERFC-UHFFFAOYSA-N 446.418 4.815 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCSCC)CC1 1760393112 IVIYCRBFNIFHHC-SFHVURJKSA-N 435.638 4.650 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](COCC)C1 1760436962 MPUGFOHXQMNYME-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1760445653 RDEBINVVYRMPOQ-LJQANCHMSA-N 436.604 4.884 30 10 IJEE Cc1nccn1CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1762354559 CVOIWNZHIRKGJS-QGZVFWFLSA-N 437.617 4.609 30 10 IJEE COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CC1 1770806851 HZFSGQZJVVZCPB-UHFFFAOYSA-N 441.988 4.833 30 10 IJEE Cc1ccc2oc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)cc(=O)c2c1 1859750010 FURMNXFFSFZYBR-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1cccn(CC(C)C)c1=O 1861291121 YHSAPARNNCVYTB-HSZRJFAPSA-N 447.664 4.906 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(OC)c2)cc1 1862390990 PYQRPTNXRFQDIC-UPVQGACJSA-N 449.547 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1C(=O)O)c1ccccc1Cl 1862434078 RBWATPULQNEXAV-NRFANRHFSA-N 447.874 4.817 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc(O)c1)c1c(F)cc(F)cc1F 1862456984 FITATNKQPQOGIV-FQEVSTJZSA-N 431.410 4.721 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2cccc(O)c2)c1 1862554628 HKADXCWTISFHAC-PHDLEGTPSA-N 444.531 4.522 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1Cl 1862560239 FRMCGRYPRIUVAC-OAQYLSRUSA-N 442.943 4.707 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862585015 MSEXORDLAMPNER-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862666844 NHCYEUKRKCUZDJ-OPAMFIHVSA-N 435.520 4.973 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862677580 CWQOLWDRJAAELC-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccc(F)cc2)C1=O 1862776946 NZKZTCUTBDVNAP-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(CCc2cccs2)C1=O 1863452358 JCAAOWCGAFWDLW-UHFFFAOYSA-N 433.920 4.708 30 10 IJEE C[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866772026 KRLZGVYWOWVCTM-QMHKHESXSA-N 433.458 4.502 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868286545 MJTBMHWKUCABOS-QFIPXVFZSA-N 444.970 4.727 30 10 IJEE COc1cccc(-c2nc(Nc3cccc(C#N)c3)cc(N3C[C@H](C)OCC3(C)C)n2)c1 1868495687 MMPMPQWUMONAJD-KRWDZBQOSA-N 429.524 4.771 30 10 IJEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2Cc2ccccn2)c(C#N)c(C)c1C 1870260317 KAMGTGAZLINRPY-UHFFFAOYSA-N 448.592 4.811 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)CCCC 1872090333 LTPZXNVNWOMYOA-QHCPKHFHSA-N 428.598 4.937 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872512468 VTKZVLLYFVRPJZ-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874231013 NZBNYJWEWBNGCX-FSJBWODESA-N 442.928 4.677 30 10 IJEE OCCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874374043 DYCKNXKLSZQRCR-CIAFOILYSA-N 441.409 4.788 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)N(CCC)CCC)nnc2C(C)C)cc1 1874515414 WWYRNRKLSPHYOQ-LFVJCYFKSA-N 445.633 4.813 30 10 IJEE CCCCOc1c(Br)cc(/C=N/n2c(C)nnc2SCC)cc1OC 1874531459 KHYIJAOFJHNAFP-YBFXNURJSA-N 427.368 4.531 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2)cc1Br)Nc1nccs1 1874614721 QCILLPJNMGQTSB-SOFGYWHQSA-N 443.322 4.819 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1cccnc1 1875082682 MSTJPDDWBNOSRF-BQYQJAHWSA-N 438.823 4.767 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccccn1 1875104461 YQJVKUHTZLNJLI-OUKQBFOZSA-N 429.472 4.943 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc([N+](=O)[O-])c1OC(C)=O 1875181135 PDXMGJKIPNQSGT-VOTSOKGWSA-N 433.844 4.785 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc1Br 1875187612 DPDNHYDKMCMFTF-FNORWQNLSA-N 447.325 4.913 30 10 IJEE CC1(C)OB(C2=CCC[C@H]2NC(=O)C2CC3(CC(OCc4ccccc4)C3)C2)OC1(C)C 1887442024 QLQOKHXPEZGVGT-KHICQEDESA-N 437.389 4.598 30 10 IJEE CN(CC#CCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nn1C)Cc1ccccc1 1891794458 XTUWSOINEQOFJZ-UHFFFAOYSA-N 448.570 4.619 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(C#N)cc1 1892144710 DDFWOBYROFIMDY-WOJBJXKFSA-N 448.375 4.897 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 1892825946 QNRBYUBDXIYBNH-GBXCKJPGSA-N 429.561 4.963 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 1903084185 RGRBDUAFJPBXMA-IFXJQAMLSA-N 433.471 4.634 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C 1922120345 SJHRKMDHQAVONN-RDGATRHJSA-N 432.605 4.544 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)[C@H](CN)CCC12CCC2 1924926522 OKEWNLSTIYWUOY-YCRPNKLZSA-N 434.378 4.992 30 10 IJEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1945796213 YOGQAWINOXCNNM-QFBILLFUSA-N 433.549 4.880 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1ccc(Br)cc1Br 1992853905 OPSVRCLWGLSQEE-CABCVRRESA-N 449.183 4.584 30 10 IJEE CN[C@@H](CC#C[Si](C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2014156612 NCTQOYDDVUMPJK-DHLKQENFSA-N 444.692 4.689 30 10 IJEE C[C@@H]1CCCc2c1sc1ncnc(NN=C3C(=O)Nc4ccc(Br)cc43)c21 2033812746 GBXYZBXDXZLZKQ-SECBINFHSA-N 442.342 4.662 30 10 IJEE Cc1ccc(C(=O)N[C@H](C(=O)N2C(=NCc3ccccc3)SCC2(C)C)C(C)C)cc1 2040438623 JFJLXSCYPLELRT-NRFANRHFSA-N 437.609 4.660 30 10 IJEE C=C(COC(C)C)[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041912971 YVZMOINIJHCMLW-BVAGGSTKSA-N 446.632 4.790 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)COCCN2C(=O)OC(C)(C)C)cc1 2081184272 CMYVYVGLCAOMPW-DVECYGJZSA-N 445.560 4.655 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(C)cc1Br 2116828381 IQOMQHWHPYZFNE-WMZOPIPTSA-N 427.358 4.854 30 10 IJEE CCN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2118191517 GFIBNVQETRRFIX-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2cccc(Br)c2C#N)[C@@H](C(F)(F)F)C1 2163252859 DEVZHZIVMLPQOH-YPMHNXCESA-N 448.283 4.778 30 10 IJEE CCC[C@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCN(C(=O)OC(C)(C)C)C1 2181135330 PLFPHRZHCZFTDJ-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE CC[C@]1(C)CSC(=Nc2ccc(Br)cc2I)N1 2217200382 SNYKOZJNIWOCAX-GFCCVEGCSA-N 425.133 4.546 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC23CC3)cc1 2220824264 AFJSAAFPOAUTGP-XMMPIXPASA-N 443.544 4.730 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@H](O)C#Cc2ccccc2Br)s1 2227485986 OEZGMIZHVHCIGJ-CQSZACIVSA-N 437.359 4.598 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2235747538 QSQYEDYLMUJTCX-WDSOQIARSA-N 435.406 4.862 30 10 IJEE C[C@H]1CN(c2c(Br)cccc2C#N)C[C@H](C)N1C(=O)OCc1ccccc1 2248972983 MOCXBENGWLVDKU-HOTGVXAUSA-N 428.330 4.557 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CC1)CCC2 2267172188 UOTYTIMUGVPBSG-UHFFFAOYSA-N 442.365 4.939 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)cc(Br)c1F 2272722719 BBVHUWFYLGBJIV-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1 2296215786 DMXDYTHAYDFSJL-WOIUINJBSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)C#Cc3cccc(Br)c3)CCC[C@@H]12 2296225345 UIJKSVFFFQWOME-GCJKJVERSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](C(=O)C#Cc2cccc(Br)c2)CC1 2296225465 VNAQRMWPUMLCCL-OQIWPSSASA-N 438.337 4.793 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@H](O)C#Cc1cccc(Br)c1)C2 2296231482 DPLQQUJCBUYSIP-LJQANCHMSA-N 434.374 4.589 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296286330 KEWQPVSDLOZGAI-LSTHTHJFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(O)C#Cc1ccc(Br)cc1 2296288593 IYBSUDJAGDHWKK-VGOFRKELSA-N 434.374 4.637 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 2296299024 QFOYYQKNTYWSNP-OXQOHEQNSA-N 435.406 4.957 30 10 IJEE N#Cc1cc(N2CCC[C@@H](c3nccnc3Oc3cccc(C(F)(F)F)c3)C2)ccn1 2296586975 MBRPPTCJXAKWDJ-OAHLLOKOSA-N 425.414 4.938 30 10 IJEE COc1cc(C=C2C(=O)ON=C2c2ccccc2)cc(Br)c1OCC(C)C 2297363979 XKFSLUIQUCDHJW-UHFFFAOYSA-N 430.298 4.837 30 10 IJEE Cc1ccc(-c2ccc(C=C3SC(=Nc4nccs4)N(C)C3=O)o2)c([N+](=O)[O-])c1 2314542199 HWMURSVYDULDJP-UHFFFAOYSA-N 426.479 4.854 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccccc3C)NC2=O)ccc1O[C@H](CC)C(=O)O 2314933904 FBQGVAIJAAEMGC-QGZVFWFLSA-N 440.521 4.527 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2N=Cc2cccc3ccccc23)c1 2321070467 CISZEYPBUIIQHE-UHFFFAOYSA-N 429.549 4.970 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C)n1N=Cc1c(Cl)cccc1Cl 2321121813 PJDKGWZHFWTERT-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)c4ccccc4)cc(C)c3C2=O)cc(OC)c1OC 2322659971 NFIJRVVCRNNTHO-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1[N+](=O)[O-] 2322975023 WDJPCOGFRSGZAK-UHFFFAOYSA-N 448.406 4.635 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Br)ccc1OCCCO 2323022315 WDYMMOIRGLHCDW-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1ccccc1C 2323097979 HQNKRDJMKBDJCW-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(OC)cc1OC 2323532350 OLZPWMZWXQXHEM-HSZRJFAPSA-N 444.616 4.965 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)s1 2324803858 MFAMNKUJGUXSFO-GOSISDBHSA-N 449.532 4.821 30 10 IJEE O=C(O)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2325480224 QXNXFFFDXGKXKB-UHFFFAOYSA-N 428.517 4.742 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)cc1 2325513057 WZOWIMKEFIBDGV-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cn(C)c2ccccc12 2328398738 VEIGRGRTNKLTPI-UHFFFAOYSA-N 433.537 4.518 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1Cl 2331429951 ZDELMWJLLAKMOV-UHFFFAOYSA-N 445.951 4.882 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1Cl 2331480397 NVOSICZLDWCBIQ-UHFFFAOYSA-N 440.400 4.695 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604484 PTKFLGCBKHEPCB-QFQMRYFISA-N 443.397 4.784 30 10 IJEE C=C[C@](C)(CNC1CCC1)Cc1ccc(I)c(Br)c1 2349921421 SSRVDQJILWQEMS-INIZCTEOSA-N 434.159 4.931 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C(=O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360197764 UCWSSCBNPPLWHH-IPMKNSEASA-N 432.358 4.795 30 10 IJEE CC1(C)OB(c2ccc(COc3cc(F)cc(F)c3)cc2Br)OC1(C)C 2377326425 ITYYOFYWMJLMNQ-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc(F)cc4)nn32)cc1 9597409 VKLXYVVXKUOSHB-OAQYLSRUSA-N 436.512 4.740 30 10 IJEE Cc1ccc(N2C(=O)N(Cc3ccccc3C#N)c3ccccc3S2(=O)=O)cc1Cl 9663617 QGPZCDJBPMWUGL-UHFFFAOYSA-N 437.908 4.856 30 10 IJEE COc1ccccc1N/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 16740640 XUDDKJAIPBLDTD-UHFFFAOYSA-N 445.338 4.705 30 10 IJEE CN(/N=C/c1c(F)cccc1Cl)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl 20615626 FYWJKMCPTFNWLI-KTZMUZOWSA-N 443.668 4.941 30 10 IJEE COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(F)ccc2F)ccc1OC(C)C 21254160 DYNTVFIAHVJPCU-MAUKXSAKSA-N 441.474 4.765 30 10 IJEE Cc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc3c(c2)OCO3)C4=O)cc1 41661226 WFONKDZRNQCFOX-MYKKPKGFSA-N 427.456 4.692 30 10 IJEE COc1ccc(/C=N/Nc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c(OC)c1 59016648 DEQLFRYGJLQIJG-ZVBGSRNCSA-N 438.340 4.867 30 10 IJEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(Cl)c(F)c2)CC1 64473726 BNYBAZIVUDIFLL-UHFFFAOYSA-N 426.854 4.893 30 10 IJEE C#CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(C)cc2)cc1OC 64796047 SXTMFJAJAKHBMS-QGZVFWFLSA-N 447.512 4.916 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95084751 DIEMFPJAUYSTTN-FQEVSTJZSA-N 431.540 4.768 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc3ccccc3n2Cc2ccccc2C#N)C1 95084758 HLWQQCPXIOEVSU-HXUWFJFHSA-N 431.540 4.768 30 10 IJEE CCN(CC)CC/N=C1/S/C(=C/C=C2\Sc3ccccc3N2CC)C(=O)N1CC 101955534 OTEYEAOLHPQARO-DIHUMMRTSA-N 430.643 4.637 30 10 IJEE N#CCCCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)c1 108733369 QGVOAAJUMKVYPY-XZOQPEGZSA-N 431.536 4.703 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)cc2)cc1 169962124 SSGXMNDKRKNTEA-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)cc1 169982266 QBBFWDUSRJDEEO-NRFANRHFSA-N 434.517 4.606 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccnc2)c1 170000599 BJYNAICKZKGHIY-NRFANRHFSA-N 434.879 4.917 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)c1 170069156 NVSGCGVCCLNEMP-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(O)cc1 170137382 XSAQPGXAFWZSIB-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(OC(C)C)cc1 170152135 HLDRBWKYMQDBBK-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccc(C)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170172232 SFLZUXRUKXXYQB-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccn1 170172620 KJPUYADBFBWDPZ-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccnc2)cc1C 170182905 MKRRJPVPORSWIU-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)cc1C 170203133 BJBCLLHSRRJJAJ-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccncc2)cc1 170204850 HPZXXVJLHKJOMI-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170234271 DOWYKSWPUKKVCP-OAQYLSRUSA-N 432.407 4.512 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)cc1C 170290934 HGYXVRWDQRTGIA-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)cc1C(C)C 170292212 JQXGZJUYFGSEEU-HSZRJFAPSA-N 446.503 4.975 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)o2)cc1 170307922 DUXJFINLMFEJCW-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)o1 170307926 OJESQHDKWPOUKJ-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccccn1)c1ccccc1 170351230 NLHCOTBHSHOPFH-DEOSSOPVSA-N 439.515 4.855 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(O)c(OCC)c2)c1 170463160 LFKXNZXCMCRSEV-NRFANRHFSA-N 439.508 4.705 30 10 IJEE CC(C)(C)c1csc(N2N=C(c3ccccc3)C(=NNc3ccccc3[N+](=O)[O-])C2=O)n1 252603913 FUIJXOHIDRYRPV-UHFFFAOYSA-N 448.508 4.568 30 10 IJEE CCc1ccc(OCc2cc(C=Nn3c(SC)nnc3C(F)F)ccc2OC)cc1 254798890 WICAQRYTBKCPEP-UHFFFAOYSA-N 432.496 4.970 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)cc(OC)c1OC 433615425 IOSGABNUYZMEES-GOSISDBHSA-N 426.410 4.516 30 10 IJEE Cc1c(C(=O)Nc2nc3c(cc2C#N)CCCC3)nnn1-c1ccc(-c2ccccc2)cc1 484143223 INOIKRVDWYDTCB-UHFFFAOYSA-N 434.503 4.641 30 10 IJEE C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nnc1-c1ccoc1C 503752667 WGFVGPXFLRXGOM-KRWDZBQOSA-N 436.581 4.952 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](CC(F)(F)F)C1 508920119 SUXJAXZRAAJSGJ-NSHDSACASA-N 433.247 4.811 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 523485555 HJGFLIXJPRQTMM-UHFFFAOYSA-N 438.490 4.571 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488501 JXEZOMZZYVVLGJ-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526514876 HSHCLOAGUQSVAF-DEOSSOPVSA-N 425.488 4.690 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526515865 MNNGHPMURYBZDJ-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE CCCOc1c(Br)cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1OC 538273713 RHGCXLKFSQMGHX-UHFFFAOYSA-N 444.329 4.644 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2Cc2ccccc2)cc1 549132677 AIDULEGRDVPEPX-UHFFFAOYSA-N 443.942 4.556 30 10 IJEE C=CCCCN(C)c1nnc([C@@H](C)Oc2cccc(Br)c2)n1C[C@H]1CCOC1 550025040 PPYKLROHYDQGOH-IAGOWNOFSA-N 449.393 4.620 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C[C@@H](c2ccsc2)O1 558909738 TXFQURYQOLWFRF-JPYJTQIMSA-N 441.560 4.893 30 10 IJEE C=CCn1c(SCC(=O)N(CCC)C[C@@H]2CCCCO2)nnc1-c1ccc(Cl)cc1 592670482 QBMGOFQRLXYAHG-IBGZPJMESA-N 449.020 4.684 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)s2)cc1 603648357 HCKLDXGTULOQJP-UHFFFAOYSA-N 437.956 4.613 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@]4(CCc5ccccc54)C3)n2Cc2ccccc2)c1 619817343 NLJWZFYAQAERTR-MUUNZHRXSA-N 447.542 4.543 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)OCc1ccccc12 670207334 BGSQHYLQGIQBIN-UHFFFAOYSA-N 446.551 4.564 30 10 IJEE CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735230464 CDUZFGCOBZUEBP-JOCHJYFZSA-N 429.879 4.519 30 10 IJEE CNC(=O)c1ccc(CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C2CC2)cc1 740482809 DNOLMAIYNBVYHG-UHFFFAOYSA-N 444.560 4.521 30 10 IJEE C#CCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 742788370 VBUFPGJYJTVTGU-MNDPQUGUSA-N 426.516 4.882 30 10 IJEE COc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)cc1 762445670 WOJZLGUUTGAYHM-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE C=CCC[C@@H](C(=O)OCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1 778553443 VPXVITZSEUOBMR-OAQYLSRUSA-N 425.506 4.538 30 10 IJEE Cc1nc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(-c2ccccc2)s1 778857187 FRVNRBAYDMHZGA-LBPRGKRZSA-N 437.546 4.724 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n1 788557735 NDAJIBWCVIHRAH-UHFFFAOYSA-N 438.915 4.643 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(F)cc1 813036513 IDXSJGCBYSDYTG-XDHUDOTRSA-N 447.485 4.881 30 10 IJEE CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(Cl)cc3)S2)cc1 1084531204 CAVKRYXZZAJZFW-GOSISDBHSA-N 431.945 4.719 30 10 IJEE N#Cc1cc(F)c(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c(F)c1 1124917368 AVWSCFKHJICVMR-QGZVFWFLSA-N 438.261 4.777 30 10 IJEE C=CCc1cc(CNC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC 1125478003 FATFAEFSTNENSF-UHFFFAOYSA-N 445.441 4.567 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc(C3SCCCS3)cc2)c(C#N)cn1CC 1130010459 HRPGKIMWMPNIAY-UHFFFAOYSA-N 429.567 4.677 30 10 IJEE CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 1134216135 AJFDUJWJWSFDTR-DEOSSOPVSA-N 442.515 4.950 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C#N)CC1 1142634194 FJRYOELHZXSCGE-RUZDIDTESA-N 445.563 4.702 30 10 IJEE Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c(C)cc1Cl 1144758179 AUNMOZKRNFPNRD-FQEVSTJZSA-N 446.776 4.742 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nnc([C@@H](CC)c4ccccc4)s3)n[nH]2)c1C 1160553143 JCLXIZUIJUUQCP-KRWDZBQOSA-N 447.568 4.722 30 10 IJEE COc1ccc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)c(OC)c1 1176925721 DQSDZVDFMINOPB-QGZVFWFLSA-N 438.572 4.788 30 10 IJEE C#Cc1ccc(Nc2nc(CN3CCCCC3)nc3sc(C(=O)OCC)c(C)c23)cc1 1187840831 FMFJUUUEOAXNKT-UHFFFAOYSA-N 434.565 4.887 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)CCCC1(C)C 1189785014 MEBBOKYUGBBPNK-KRWDZBQOSA-N 437.499 4.859 30 10 IJEE Cc1ccc(NC(=O)NC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1 1191635197 FUOGSDKZNFYIAN-UHFFFAOYSA-N 444.510 4.665 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(CN2CCC[C@H](C)C2)cc1 1199267371 PGNYXJOBQKSCFU-IBGZPJMESA-N 441.413 4.983 30 10 IJEE CC(C)N1C(=O)C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 1264420581 FDWPRRTWABZEFJ-VELBRHGASA-N 427.907 4.526 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1264591707 ICUFKIHXDWTEOK-YADARESESA-N 429.589 4.714 30 10 IJEE CN(C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1F 1264902498 IBWRDRIOURQFSE-UHFFFAOYSA-N 436.796 4.891 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OCC(F)(F)F)o1 1264905986 USTBCLZTXFHLNT-UHFFFAOYSA-N 436.199 4.951 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N1CCC(C)CC1 1286517079 OWVFZSCQIKHFCN-MHECFPHRSA-N 443.998 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1286546211 HILKPCBRIBBLBI-LZNRXBQRSA-N 439.560 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1286564586 NRAOZBXITCDAFM-RXVVDRJESA-N 434.506 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CC[C@H](OC)C(F)(F)F 1286571559 QQOOKICEYOVHMA-SFHVURJKSA-N 433.478 4.863 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286585126 BDNOASNYDDOWNK-CMKODMSKSA-N 448.995 4.505 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1286594096 ZQSOFKJRJPKGMV-CTNGQTDRSA-N 443.636 4.985 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1286607030 JGEYDWBYGGKRLN-FQEVSTJZSA-N 434.588 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccs2)CC1 1286657435 YWLPEEODFOGZSX-UHFFFAOYSA-N 432.391 4.558 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1286661298 ZBDQJWBSKLEXPG-PXNSSMCTSA-N 429.609 4.594 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286687493 JXLOHHIDZKQTEA-KBXCAEBGSA-N 444.448 4.659 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1ccco1)N1CCCC1 1286717547 ARCDNUXHUVWMTE-LJQANCHMSA-N 443.498 4.599 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1)C1CC1 1286735871 QFODULKCFMBTNK-QFIPXVFZSA-N 428.989 4.646 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1286758791 DLAHZULZBKEDNE-RTWAWAEBSA-N 432.616 4.649 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1CC 1286760493 NOUQFAXQFLCYEN-GOTSBHOMSA-N 435.616 4.576 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)c2cccs2)C1 1286803637 FJJYFIFMIHPOIR-SFHVURJKSA-N 438.597 4.774 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1286833380 ASCVHUGTJHUMRD-JOCHJYFZSA-N 435.597 4.533 30 10 IJEE C[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)cc1O)c1ccc(-c2cccc(C#N)c2)cc1 1296261933 GYHBPRDSGIYFQO-HNNXBMFYSA-N 444.441 4.886 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SC(F)(F)F)nc1 1299196061 QYGUMUOYGRIROT-NSHDSACASA-N 425.860 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1C(C)C 1300868369 DELYNOXILOAONG-MNEFBYGVSA-N 448.409 4.642 30 10 IJEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)sc2ccc(C#N)cc12 1301110804 GBERIBDIXSFOLD-GOSISDBHSA-N 427.570 4.799 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CCC)C1)c1ccccc1 1301165225 FIILVFPKPWQDLO-VWNXMTODSA-N 431.584 4.629 30 10 IJEE C=CC[C@@H](Cn1c(N(C)CC(C)(C)C)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301169039 ZJLKCZBGRXGJAQ-SQJMNOBHSA-N 426.605 4.772 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCN1CCCC[C@@H]1C 1301283295 VEOHAJCQDMMJEG-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1301339087 GIJRJODXBHCOMZ-XAXKJMDRSA-N 447.627 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC)c1 1301362138 AQYYASIYNNQVBO-FQEVSTJZSA-N 438.597 4.873 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1301609999 RFWJDZAPQYUQOB-UHFFFAOYSA-N 449.665 4.739 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccnc(C(F)(F)F)c1 1303635486 GXKRZJRGDKDYKB-AWEZNQCLSA-N 439.445 4.627 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c(Cl)c2)nc2cc(Cl)ccc2c1=O 1307242812 UMXUAMRWXDXVFK-UHFFFAOYSA-N 435.332 4.968 30 10 IJEE COc1ccc(Oc2ccc(S(=O)(=O)N3CCC(c4ccc(C#N)cc4)CC3)cc2)cc1 1309904149 FDIBNALHUQPBJS-UHFFFAOYSA-N 448.544 4.927 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C 1312615695 IBFDHYRBLPQVIO-DMCJJKJGSA-N 428.573 4.733 30 10 IJEE N#Cc1ccc(F)c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)c1 1350339431 GFRAANOQEHGBST-OAQYLSRUSA-N 439.943 4.942 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 1352620174 JEJJSQUNZHDFMI-SANMLTNESA-N 436.555 4.682 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 1353027577 OLNIEDGBNZMNRS-JOCHJYFZSA-N 440.547 4.756 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)cc1 1353835383 YGRQVGGDIUYTLF-UHFFFAOYSA-N 445.235 4.531 30 10 IJEE C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1354735607 CJJJGAVOMPKYRT-WMLDXEAASA-N 442.346 4.970 30 10 IJEE COc1ccc(C(C)(C)CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 1356186975 FNFFKJRXORWWIL-UHFFFAOYSA-N 439.987 4.921 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(OC)c(Br)c(OC)c2)cc1OC 1357719271 KZQYPXIGZFCMAT-VQHVLOKHSA-N 448.313 4.692 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnc(C)s1 1358872745 YJKJUNXPZLRFNN-JKSUJKDBSA-N 444.004 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCCCN1CCCC1 1359067691 YAQRLGQFCBEHQK-XMMPIXPASA-N 443.998 4.996 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccoc1 1359094082 WZDPRUBPTCSCRP-UZLBHIALSA-N 430.911 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1359100892 HSLOUXODYMBMHF-XQFWAAQXSA-N 426.580 4.862 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(OCC)c2)CC1 1359161079 OTRLJXVAZJROID-UHFFFAOYSA-N 442.361 4.639 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(C)(F)F)c2)CC1 1359182725 RNXVXMRSNROJNM-FPOVZHCZSA-N 446.542 4.565 30 10 IJEE C=CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(F)cc1Br 1359290779 PJNAZWXPCHRYLA-UHFFFAOYSA-N 431.313 4.773 30 10 IJEE C#CCN(C(=O)c1cc(F)c(F)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1435175501 LGVZPGWOCMSLKX-QGZVFWFLSA-N 440.671 4.980 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 1441881587 FOOXIOBXIMHWCO-QGZVFWFLSA-N 429.483 4.960 30 10 IJEE COC(=O)CC[C@H](CC1CCCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1451727720 CQFDRSHAYNZIPH-HXUWFJFHSA-N 438.524 4.752 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccccc1 1458133973 KTPACPLICACQST-DEOSSOPVSA-N 434.561 4.949 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 1460222030 LIBAXUOYMWJSEA-MJGOQNOKSA-N 430.335 4.860 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)n(-c2ccccc2Br)n1)c1ccc(Cl)cc1F 1460802003 NMHLXKHZMHATCZ-KRWDZBQOSA-N 446.707 4.840 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)CCc1cccc(F)c1 1463015410 GSLCCTMKUUBMBU-UHFFFAOYSA-N 426.488 4.724 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(OC)c(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1 1465776976 ZSJTXSNOTUAEFM-QGZVFWFLSA-N 446.433 4.519 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC(C)(C)C)CCCCCC1 1469787050 LIFRZPRLIMURAB-MRXNPFEDSA-N 445.000 4.573 30 10 IJEE C=CCCONC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 1470616173 LFDNGRFMJJWILA-UHFFFAOYSA-N 425.337 4.962 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1OC 1474407132 WMBPOJCOUJGDGL-UHFFFAOYSA-N 432.923 4.577 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)CCc1nccs1 1507559524 UBTQXROKCCLAAC-UHFFFAOYSA-N 444.402 4.647 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC[C@@H](SC)C1 1507576539 XFQVIYJVXRAXLE-DENIHFKCSA-N 442.629 4.952 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2[nH]c(C)c(C)c2c1 1507821624 BZEVZXABZOMXGJ-REWPJTCUSA-N 437.588 4.551 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1scnc1C 1507927183 YKCIZLUHSGVLIE-UHFFFAOYSA-N 449.422 4.804 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 1507941669 IGWUDZDWEIZUIK-OAHLLOKOSA-N 449.393 4.686 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1507956071 ZUJCJBCQCOXSEU-NRFANRHFSA-N 435.641 4.974 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1507996988 NGFBDMVIJVGJRV-UQBPGWFLSA-N 425.596 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@H]1OC 1508012431 WGJUDIHBOAQXAD-DNVCBOLYSA-N 449.368 4.840 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCN1Cc1ccccc1 1508552297 GRIOWQJZDNTUFI-QHCPKHFHSA-N 434.632 4.661 30 10 IJEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1509365366 FFGXLBHGHMCZQX-REWPJTCUSA-N 439.604 4.662 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2cc(C(F)(F)F)ccn2)cc1 1513625568 BBFKKJUCSIBUAY-INIZCTEOSA-N 442.489 4.902 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1 1515034996 GANHGDJKVWFTHA-RXVVDRJESA-N 431.442 4.612 30 10 IJEE C=CCN(C(=O)c1cc(C(F)(F)F)ccc1NC)[C@@H](Cc1ccccc1)C(=O)OCC 1516153982 AFZJPXDIOSETEI-FQEVSTJZSA-N 434.458 4.550 30 10 IJEE CN(Cc1ccc(Br)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC1(C)C 1517108806 AJGCWLDQQHFSLY-INIZCTEOSA-N 440.345 4.855 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cn(C(C)C)nc1C)c1ccc2c(c1)OCCO2 1522212590 SGRXKZYEVIBKCP-UHFFFAOYSA-N 447.535 4.955 30 10 IJEE COc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)[C@@H](C)[C@@H](C)CC4)n2)cc1 1527163642 HWTWYFVNPNAHQZ-KBPBESRZSA-N 436.537 4.935 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c(OC)c1 1528501710 VDOIMCZPIULHEL-IBGZPJMESA-N 445.384 4.824 30 10 IJEE Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C)c(C#N)cn3)[C@H]2c2cccs2)cc1 1530645708 BOXXDVYQXIULNQ-XXBNENTESA-N 430.533 4.755 30 10 IJEE CC[C@H](C)N(CCc1ccccc1F)C(=O)COc1ccc(C#N)c(Br)c1 1532898173 HTDNYUFKBKKOQG-HNNXBMFYSA-N 433.321 4.708 30 10 IJEE CNC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c(OC)c1 1532905376 GOPCAWSTRXPPSV-UHFFFAOYSA-N 435.867 4.624 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 1535721071 ACHZNLDUNJEJEH-YADHBBJMSA-N 427.386 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1539001727 IMXYYDOWLMLYSC-HBMCJLEFSA-N 446.643 4.651 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1539111531 XQECHYQBSUTOPA-SFHVURJKSA-N 426.973 4.960 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)N(CC)CC 1539247273 XDCNMDQQOHINSN-IBGZPJMESA-N 449.599 4.616 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@H](F)C1 1539382246 BKTIXDTUVLMLFJ-HOCLYGCPSA-N 425.335 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1539555951 GPKODGIVUBZXLJ-RUZDIDTESA-N 435.572 4.933 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1C 1539704640 GHGXCHHMVQEHFL-UHFFFAOYSA-N 439.604 4.914 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@](C)(OC)C1CC1 1540135711 ACNHHPSSSBQCQH-QPPBQGQZSA-N 428.552 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C(C)C 1540146489 BVUFAESACSLSMX-YOSAUDMPSA-N 446.661 4.858 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1OC 1543517525 DBVAIXHNFLRFMT-JVCIDUABSA-N 434.580 4.863 30 10 IJEE CN1CCC2(CC1)C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccccc1O2 1543998609 BZOQUXYDRHVPNW-SFHVURJKSA-N 430.335 4.583 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1 1544817832 SFQFQARPHFQKDP-UHFFFAOYSA-N 427.479 4.636 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)F)c2cccnc12 1556237051 CFPIZNRTHCVSHC-CQSZACIVSA-N 441.862 4.811 30 10 IJEE C[C@@H](C(=O)Nc1cccc(Nc2cc(Br)c(C#N)cc2F)c1)n1cccn1 1559066550 BKGPOOBVWCFEBE-LBPRGKRZSA-N 428.265 4.600 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 1562255711 NQJVZIFWYACEQA-HXUWFJFHSA-N 447.457 4.583 30 10 IJEE C#CCN(C(=O)c1nn(-c2ccccc2)cc1Br)[C@H]1CCCc2ccccc21 1585189255 NORHEDGHFUGFBJ-NRFANRHFSA-N 434.337 4.788 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(C)(C)C2CC2)ccc1Cl 1585407108 CXJQHRMHDXVAIU-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CCc2ccc(C#N)cc2)cc1 1585931155 GFQWTEQFRFFJDD-XMMPIXPASA-N 447.579 4.874 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC(OCc3ccc(Br)cc3)CC2)cc1 1586551618 OGLHIOWUXOCYRP-UHFFFAOYSA-N 442.353 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CC=CCC1 1587594719 XXQAWSVDPBWTCZ-SFHVURJKSA-N 435.572 4.533 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1csc(C)n1 1587818489 XDEQAVHGWQZHHC-QGZVFWFLSA-N 445.390 4.556 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](CC(C)C)N(C)C 1588281195 ZTNIXQXDRAVGPS-AZUAARDMSA-N 427.662 4.567 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCOC 1589506450 WKIPIWVZNAEUTH-DNVCBOLYSA-N 439.387 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCN1CCCC 1589625837 PDLZWJCNKCDTJP-NRFANRHFSA-N 439.604 4.731 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(CC)CC1CC1 1593712038 QDTLIUHFVYOMDT-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1593757875 PYWXTZAUMZISKF-JOCHJYFZSA-N 437.613 4.876 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1593796629 YISAOZILRKPZJK-UHFFFAOYSA-N 447.974 4.538 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1 1593852197 NFUHQECGRLEQKT-MRXNPFEDSA-N 439.785 4.711 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cc(Br)cs2)CC1 1594036917 YYLMWHKSUXXLOB-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2=CCCOC2)CC1 1594194050 VMOBCZYSGFTJJV-KRWDZBQOSA-N 428.964 4.821 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1594455099 LOSNZHZUAWOEDB-GOSISDBHSA-N 444.023 4.896 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1Cl 1595010034 PEDHOGUWOGRFCF-SFHVURJKSA-N 431.968 4.674 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cccnc1)C1CC1 1595065680 VYOZVPOUNMVIPX-UHFFFAOYSA-N 444.366 4.956 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1(O)CCCCCC1 1595076208 XFMCDDYNHKMRKD-UHFFFAOYSA-N 447.583 4.627 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1 1595161468 ARBIRKCHZNZXLO-WOJBJXKFSA-N 437.613 4.723 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(C)(C)C)C2)cc1 1595640540 ZGQOHVCWSGRYON-QHCPKHFHSA-N 438.616 4.875 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCSC2)C1 1611768832 DTIYKEJBXASWPD-AVRDEDQJSA-N 430.021 4.796 30 10 IJEE Cc1ccc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C[C@@H](C)C#N)s1 1612072530 DKBOEXXQKYZRSN-LBPRGKRZSA-N 448.365 4.861 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccnc1OC1CCCC1 1612258561 HOPJBJSHNXQZOP-GOSISDBHSA-N 430.556 4.614 30 10 IJEE C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nc2ccccc21 1613176191 RRFMGPJGGPZXOA-UHFFFAOYSA-N 441.578 4.680 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cn1ccnc1C(C)C)c1ccc2c(c1)OCO2 1613645223 FNGZRABUAVQNFG-UHFFFAOYSA-N 433.508 4.533 30 10 IJEE COc1cc(OC)cc(N2CCCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)c1 1616330377 BNPAORYPISZFAS-UHFFFAOYSA-N 427.548 4.955 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1Cl 1617301581 FQXHSOKREPJWTH-SFHVURJKSA-N 439.890 4.959 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 1620990894 IFTQZLHXSJCVNX-SFHVURJKSA-N 429.904 4.773 30 10 IJEE C=CCOc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1OC 1623590635 HVZSIWDPWYOLKL-MUUNZHRXSA-N 443.543 4.736 30 10 IJEE C=CC[C@H](C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1 1625524243 RIUXVPSIZPHHBY-NDEPHWFRSA-N 439.603 4.985 30 10 IJEE C=CCc1cc(CNC(=O)NC2(c3ccc(F)cc3F)CCCC2)cc(OC)c1OC 1630469500 YVUMQFJRLZCUHP-UHFFFAOYSA-N 430.495 4.979 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1631404129 LFZHTDKVIOZETB-NTEUORMPSA-N 426.398 4.567 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)s1 1636620395 XMKDAVQEJVTZHM-KRWDZBQOSA-N 428.558 4.746 30 10 IJEE C=C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1)c1ccccc1 1636877612 NVIYKCJATJCFJP-DHIUTWEWSA-N 436.552 4.785 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 1638463356 MHCAKLUFIZHJPH-KRWDZBQOSA-N 430.957 4.799 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)OC 1643353218 GQYJPVVPYMGGRR-QGZVFWFLSA-N 444.553 4.675 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 1644131966 PEBCBTRHZDKDJL-DOMZBBRYSA-N 436.858 4.798 30 10 IJEE C#CCN(c1cc(CC)nc(-c2ccncc2)n1)[C@H]1CCOc2ccc(Br)cc21 1650757681 YSBOCBBPNLJADF-FQEVSTJZSA-N 449.352 4.827 30 10 IJEE C#CCN(Cc1ccc(F)cc1)Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 1658348235 NJFKCYHOOGYYOS-HXUWFJFHSA-N 426.532 4.612 30 10 IJEE C#CCN(C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)[C@H]1CCCc2ccccc21 1661129421 GOIFYJUPYLEDGA-NRFANRHFSA-N 441.934 4.860 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ncccc2CNC(=O)OC(C)(C)C)cc1OC 1662473941 NJBVEXBVVHDTRY-UHFFFAOYSA-N 433.936 4.945 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c(C#N)cn1CC 1662770631 GUDVWGVYUXFNRO-SFHVURJKSA-N 436.537 4.723 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1 1664994322 DCIJXXQZXVYGMX-OAQYLSRUSA-N 449.523 4.578 30 10 IJEE C=CCc1ccccc1OS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1666007808 MSJJHDDVYFTNGS-UHFFFAOYSA-N 437.233 4.844 30 10 IJEE COc1cccc(C2(NC(=O)Nc3scc(C(C)(C)C)c3C#N)CCOCC2)c1F 1672201515 ALCSFTBROBTITP-UHFFFAOYSA-N 431.533 4.892 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1672461905 HTOHACMXTBDSFX-KRWDZBQOSA-N 438.380 4.948 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CC)[C@@H](O)c1ccccc1F 1672708169 FYXCVEGRHHVPLW-APWZRJJASA-N 437.309 4.787 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1 1673067760 YUPGGMDLLFITBT-UHFFFAOYSA-N 445.342 4.854 30 10 IJEE C#C[C@H](NC(=O)N1Cc2ccc(C)c(Br)c2C1)c1ccc(Br)cc1 1674030352 DTEDOCKMSWLIFI-KRWDZBQOSA-N 448.158 4.920 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)c1ccc(Cl)cc1F 1675756935 WSLCPJKYINPALZ-CQSZACIVSA-N 433.764 4.649 30 10 IJEE C=CCC(C)(C)CNC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1679069763 BOMHFHMNYAVRJP-JOCHJYFZSA-N 428.598 4.698 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C 1682439756 QZRBHTISIKOLPD-NRFANRHFSA-N 447.624 4.731 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)cc(I)c1 1683509511 ZRVJLVBWRFYOKU-CZUORRHYSA-N 432.733 4.879 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1 1687503465 VETWWBFUNBQCQQ-INIZCTEOSA-N 435.615 4.902 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1=CCCCC1 1689862516 AZUYLYVEPMEGBG-MRXNPFEDSA-N 429.362 4.578 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1689888773 QJRPHBGWOOISDT-GOSISDBHSA-N 427.543 4.511 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1690158192 ZIVXHCJNGHUSPV-CNNODRBYSA-N 440.613 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)COCC 1690193844 UAHBUGSFLWQGLC-MHECFPHRSA-N 428.552 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCC(C)(F)F 1690199895 CNKVLEXPADRMCN-JOCHJYFZSA-N 432.515 4.780 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1nc(C)c(C)s1 1690257816 VIQHWPCPFFSBBX-UHFFFAOYSA-N 449.422 4.754 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1690303395 XTUOKBUGQJPEQU-IBGZPJMESA-N 425.533 4.605 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1690418939 BTVPBVPFESLKTC-FQEVSTJZSA-N 437.632 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCCO[C@@H](C)C1 1690420229 KVZPJUFVBCVTDF-INIZCTEOSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1 1690420617 QHPVDGFWUHCFKB-UHFFFAOYSA-N 429.366 4.669 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC=C(COC)CC1 1690457156 RYSHNZPXRABCHC-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccsc1)N(CC)CC 1690520326 RGXSTQUAUIVWSI-GOSISDBHSA-N 431.009 4.760 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1690538963 SYAXKAXHYCEFAS-LSDHHAIUSA-N 449.368 4.817 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1690705928 FRFRFJNSFBEFIR-ICSRJNTNSA-N 440.485 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccc(Cl)cc1 1705506259 UODKEPRAZNIYFQ-XWDORNJCSA-N 445.007 4.776 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705593387 AHZWPBWPQIIIEN-SIKLNZKXSA-N 439.003 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[C@H](C)N(C)Cc1ccccc1 1705676176 QMLDZWUFTCNDOF-HFZDXXHNSA-N 447.652 4.833 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(OC)C1 1705680708 FQEUUTVAJQQNJV-WIYYLYMNSA-N 433.394 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(C)C)C1 1705705257 FQFHJKDQNMVPTI-HWBMXIPRSA-N 438.616 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC1CC(F)C1 1705708648 FOUBZNBYLHEGCS-GBONJCOYSA-N 442.579 4.585 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1705852327 OYXUCEDIEZAEHO-UHFFFAOYSA-N 429.446 4.571 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCCCC1 1705865143 RTACFGAUMAVHIM-OAQYLSRUSA-N 442.579 4.853 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1)C(C)C 1705867438 NOVWBYXJXVMXAJ-QPPBQGQZSA-N 432.616 4.752 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1CC1([S@@](C)=O)CCC1 1706462257 CFUOVHBTIPLRMG-SSEXGKCCSA-N 448.036 4.666 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722313710 CFGKLGBQDNOSHU-GOSISDBHSA-N 438.963 4.553 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1C(F)(F)C12CCC2 1722406598 ZFMBXHXQFCOEOO-MRXNPFEDSA-N 435.316 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1Cc1cn(CCCCC)nc1C 1722472962 MAWPLPBKTFJCSF-AREMUKBSSA-N 448.590 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)C1CC1 1722503394 STWNWNZVDHMXFL-LJQANCHMSA-N 433.394 4.843 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1722531131 OCNQXHKNGXPZPC-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)[C@H](C)CC)CC1 1722583089 RCALBDPGLNOBCA-KOSHJBKYSA-N 444.645 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722585547 ACBLMXCNFFYZTA-SFHVURJKSA-N 442.007 4.696 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(C)CC1)C1CC1 1722649216 MLXMEHPJKUTMGA-SFHVURJKSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@H](C)C1 1722661834 BFXIACTYCMSQDR-SJLPKXTDSA-N 443.642 4.703 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccc(F)c1 1722677200 WVWQFLDQXYZZIR-IBGZPJMESA-N 438.547 4.727 30 10 IJEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)CC1 1723782070 CAGZOWOEBVHFTA-FQEVSTJZSA-N 448.640 4.678 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1Cc2ccccc2[C@H]1C 1740591621 PZMLNFUMXDRTTD-LJQANCHMSA-N 449.599 4.887 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1cccs1 1740677803 QXWOCJSLDMRYPR-UZUQRXQVSA-N 426.561 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H]1CSC 1740756945 RRGGJASJFHFLOT-VSKRKVRLSA-N 426.630 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccnc(OC2CCCCC2)c1 1740771277 ZCGFTLXXSJHVFX-UHFFFAOYSA-N 432.572 4.897 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(CCC(C)(C)C)CC1 1740779965 PVPNUZKJJMBNSH-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOC(C)(C)C 1740844589 NKAZIHZTIXBOAF-UHFFFAOYSA-N 438.414 4.889 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1740863711 DMQXQARPFKQUQC-YLJYHZDGSA-N 434.943 4.509 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ncc(CC)s1)C1CC1 1740905734 GLTHQONXAJTLLI-HNNXBMFYSA-N 427.549 4.779 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@H](F)C1 1740932860 XLTGRJSRHBJFJW-XUVXKRRUSA-N 447.599 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OCCC)nc1 1748654966 OPAXPJCCYFHQKF-IBGZPJMESA-N 431.584 4.933 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(CCOC)CCC1 1748687584 MMCLLHSZZADXRX-KRWDZBQOSA-N 433.021 4.889 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C)C(C)(C)C1 1749032532 KNRBUYWMGAYBAT-SFHVURJKSA-N 435.597 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC=C(C)CC1 1749122717 ZPEZGHPVNGPQSZ-QAPCUYQASA-N 449.418 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N1CCCCCC1 1749153485 WEGHULFKLQWZLJ-UHFFFAOYSA-N 448.615 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCc1nnc(C)s1 1749154042 JEYGTUNEOCSZMC-UHFFFAOYSA-N 449.584 4.795 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCCO1 1749218230 JANROLFOCAHMAR-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1ccc(C)cc1 1749466846 AJECPUNQEKUGLT-MRXNPFEDSA-N 428.378 4.780 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)SC 1749548888 MZKSUXGBKQYMRN-OAHLLOKOSA-N 429.571 4.859 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1CCCCC1 1749565764 REECPLNVUBXUIY-UHFFFAOYSA-N 430.600 4.936 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCn2ccnc21 1749595008 XVBLYDDJYSBAKK-OAQYLSRUSA-N 448.615 4.656 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2sc(C)nc2C)C1 1749699828 CVFSBADAQADWLG-SFHVURJKSA-N 429.977 4.501 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(CCOC)CCC2)C1 1749699932 FLGGKPVBINPJNW-FQEVSTJZSA-N 430.980 4.587 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1 1752117688 FRGKSRJQQVGWGW-AUSIDOKSSA-N 449.555 4.553 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1760133227 XVOXLSXUAXGGMA-ROUUACIJSA-N 443.389 4.612 30 10 IJEE C#CCCCCn1c(N2CCC3(CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142576 GUCNWEIMBDNWFW-BGYRXZFFSA-N 441.620 4.623 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nccs1 1760226419 SGTYBUJKCVIBBT-UHFFFAOYSA-N 427.986 4.972 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760237585 NSGFYFJFMLYAPM-ZJSXRUAMSA-N 438.616 4.775 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCSCC(C)C 1760239058 UYWHDMGDXQFLIG-IBGZPJMESA-N 449.665 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCC1 1760288601 HAUZGNSPWMZDNL-FDDCHVKYSA-N 442.991 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1cccs1 1760323604 FGLPFRAWJBPNAN-XXBNENTESA-N 438.597 4.845 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1760346915 OSWPNJWASOXEJJ-UHFFFAOYSA-N 446.530 4.703 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760351602 JKMKCRGSQFTSOK-SFTDATJTSA-N 439.648 4.754 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCN(CC)C2)CC1 1760397642 YVDBRDQNWYLFQL-GGAORHGYSA-N 437.632 4.779 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760435106 XQRXTEOYEMJCNW-HNNXBMFYSA-N 427.902 4.638 30 10 IJEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC(C)C)C1CCCC1 1760436146 JPELXLDPSBOMHV-UHFFFAOYSA-N 444.649 4.609 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1CC(=C)Br 1760501678 YYPQXPPCAIQILM-UHFFFAOYSA-N 445.336 4.745 30 10 IJEE Cc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@](C)(C#N)C2)c(OCC(F)(F)F)c1 1761789764 DDSQRENUTZQOEC-OAQYLSRUSA-N 433.478 4.583 30 10 IJEE Cc1ccc(OC(F)F)c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c1 1761817500 DZNQINLSSSIILF-QHCPKHFHSA-N 431.531 4.955 30 10 IJEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CC1CC1)C1CCCCC1 1762034091 FRNLXCKTZWDZKA-IBGZPJMESA-N 448.615 4.671 30 10 IJEE Cc1csc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)n1 1762232934 CNASEJKFTYILJJ-HNNXBMFYSA-N 442.976 4.625 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CCC#N)CCOC 1765081997 ASUAYMMBTXABRN-SFTDATJTSA-N 446.599 4.995 30 10 IJEE COc1cccc2cc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)oc12 1859750058 IEUFDYKBPBWKKZ-UHFFFAOYSA-N 437.459 4.916 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430930 VVLPGUXYBVUXTN-JOCHJYFZSA-N 449.890 4.703 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1O 1862436088 LFPJGAODSREOEY-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862480001 VOWVKJGQCPWKHR-FRGLQRNOSA-N 447.531 4.939 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1O 1862481088 WOGFPYJSTHOUSJ-XKDCRVNJSA-N 435.520 4.866 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2Cl)ccc1F 1862502701 HJQDVQWGGONMDB-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc(Cl)c2)cc1 1862535859 LRIDCQQEUFKLAN-OAQYLSRUSA-N 427.928 4.643 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(C)c2)cc1F 1862636237 BRYMXAUCVQFGJH-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(Cl)c1 1862653238 PDOTZZSNHBFHPB-JOCHJYFZSA-N 434.923 4.633 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H](C)O)c1 1862656028 UTZIXWGEZRIWLV-OSPHWJPCSA-N 445.515 4.588 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1863306024 MUDUKOLVQOBMAX-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3ccccn3)C2=O)c1 1863388260 LGIVKIFIWWAARG-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1863505077 OAAQDWSTCQNDEI-NRFANRHFSA-N 430.564 4.815 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)c2ccc3c(c2)CCCC3)=C(c2ccc(OCCC)cc2)C1=O 1863683638 XDWXHYUDHMNUMA-LJQANCHMSA-N 444.575 4.971 30 10 IJEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCCn2ccnc2)C1=O 1863803789 IGTPDYAGFUTNQW-UHFFFAOYSA-N 442.629 4.845 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccc(CC)cc1 1864751272 ZEYBHKQXOFYGJY-JOCHJYFZSA-N 438.616 4.945 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc[nH]1 1864918982 FTDJJTSAYVUHJW-FQEVSTJZSA-N 441.620 4.745 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(-c3ccccc3)n2)cc1 1868376861 UGYCSFOBXVLEAI-HSZRJFAPSA-N 434.503 4.732 30 10 IJEE N#Cc1ccc(COc2cn(CCc3ccc(F)cc3)c(CN3CCCCC3)cc2=O)cc1 1870348181 MPEWZOSEIVRWNG-UHFFFAOYSA-N 445.538 4.667 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1Cc1ccc(OC)cc1 1870624633 RNSANDZPBRQVNO-UHFFFAOYSA-N 448.538 4.797 30 10 IJEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870677245 UKLJAIKOMQGQFH-UHFFFAOYSA-N 447.664 4.865 30 10 IJEE CCCCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc(O)c2)[nH]1 1871717424 OURSYPWNEZAFJA-UHFFFAOYSA-N 428.625 4.954 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872461756 ZVYHOJUDNBDZQI-FQEVSTJZSA-N 434.989 4.859 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccccc4Cl)CC3=O)sc2C)cc1 1872726050 HSZJOQSIFAQBLT-UHFFFAOYSA-N 425.941 4.887 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1[N+](=O)[O-] 1872767574 VNOYBAGGXUWOLH-CYBMUJFWSA-N 444.375 4.703 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc2c(NCCCC)ncnc21 1873604248 QPLXHKAVXCKBEQ-UHFFFAOYSA-N 428.880 4.643 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874316971 STDYKCHTGPEXQX-HZHRSRAPSA-N 437.525 4.748 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1)Nc1ccc(F)cc1 1874426398 GPERVHOWFIJBDE-MFKUBSTISA-N 431.496 4.697 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccn2)c(C)c1 1874457797 IHAPBRVXLONPQT-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1O 1874462227 NEPQPYZBOCZUOZ-GZIVZEMBSA-N 428.823 4.536 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2sccc2C)o1 1874488279 UOABANOLXLAKLJ-SRZZPIQSSA-N 432.571 4.791 30 10 IJEE COC(=O)COc1c(OC)ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1Br 1874600250 BZGBYMSJYLRIJF-SOFGYWHQSA-N 447.325 4.831 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2)cc1Br)NCc1ccco1 1874614528 LCLRUDWQOFMNRM-CSKARUKUSA-N 440.293 4.633 30 10 IJEE CCOC(=O)c1ccc(COc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)o1 1874614856 UDEHJUJPRORCKF-ZRDIBKRKSA-N 436.460 4.949 30 10 IJEE COCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2C)c(Br)cc1OC 1874702590 ZBFXVWQPPKDEEA-SOFGYWHQSA-N 433.298 4.522 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccccn1 1875094417 QSAKCZZKVIYIDH-VAWYXSNFSA-N 444.443 4.842 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Br)c2)c1 1875102190 OWFFUMIMXLCLDE-VQHVLOKHSA-N 438.277 4.968 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1F 1875152794 SCWYOPAVXIZFCA-SOFGYWHQSA-N 426.396 4.560 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1cncc(C)c1 1875176271 FLUHCYLRNKTTFG-UXBLZVDNSA-N 447.487 4.921 30 10 IJEE CN(c1ccnc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1 1891530683 OWCXWGAHKNNMFZ-UHFFFAOYSA-N 449.370 4.999 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1ccc(Br)cc1Br 1916314505 LNVIIPQRFLRSRW-UHFFFAOYSA-N 437.957 4.748 30 10 IJEE C=C(Br)CN(C)C(=O)c1cc(Cl)cc(Cl)c1I 1943991092 ANWHZUGJPLFPID-UHFFFAOYSA-N 448.913 4.579 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCN(c3cc(Br)c(C#N)cc3F)C2)C1 1965552994 QSRFDWAIDOWYHF-ZDUSSCGKSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)ccc2C#N)C(F)(F)CC1 1965668678 UMRGYBJMAXFONZ-HNNXBMFYSA-N 430.293 4.767 30 10 IJEE C#CC(C)(C)C[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2002377510 HXHFKBAUVRFICE-NVQXNPDNSA-N 428.617 4.858 30 10 IJEE C[C@@H]1CN(c2cccc(Br)c2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297730 XUBQMOWXMOTSPK-HZPDHXFCSA-N 428.330 4.557 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC2)C1 2038431523 QLZMLXKBKPXXPF-UHFFFAOYSA-N 448.568 4.997 30 10 IJEE Cc1sc(Br)nc1CC1(C=O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2052569193 QKPDFBMGERDWDB-NCNPBXTDSA-N 429.380 4.504 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(C)c2)C2(C)CC2)c(I)c1/C=N/O 2079090617 OXUMMOCLBJXTAF-RYFGYPJOSA-N 437.325 4.865 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079897366 XAEKPRIBKCZRJQ-OAHLLOKOSA-N 443.235 4.695 30 10 IJEE Oc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc2c(Br)c(C(F)(F)F)nn12 2080930047 KWYKVHSRQQUFIF-UHFFFAOYSA-N 448.067 4.579 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H](NC(=O)OC(C)(C)C)COC1(C)C 2081878262 ZYDRXTXDTYROGH-KOSHJBKYSA-N 445.560 4.701 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1c1cc(Br)ccc1C#N 2174810739 POYODHRFBSYDMD-QGZVFWFLSA-N 448.283 4.747 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC12CC2 2220826576 OBWMGIOZWSEWRX-DEOSSOPVSA-N 443.544 4.730 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(CC)CCCN1C(=O)OC(C)(C)C 2235729140 MNSMCMPPPASOBB-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)(C#N)C1 2243918421 GFCYBLYQKMBIHS-YQXBWWBASA-N 445.563 4.748 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s1 2247807514 WTYJNYVZWLYXHR-KRWDZBQOSA-N 425.403 4.797 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2267197657 MZRYWFJWYAHEDP-UHFFFAOYSA-N 444.381 4.565 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)c1F 2268651161 NLVBXVGZPVYLIP-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C=CC[C@@]1(COc2cc(Br)c(F)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272232756 VFJXVJQHMPSFTB-LJQANCHMSA-N 429.330 4.753 30 10 IJEE CC1(C)OB(c2csnc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)OC1(C)C 2281797298 SRRWCYBDYAKHGT-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCCC(=O)Nc2ccc(Br)cc2C#N)C1 2296134632 PIGCQUUJFDWYQT-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2 2296297287 XDUZKNOVNZJHQQ-OSFYOIPJSA-N 433.390 4.616 30 10 IJEE CCCN(CCC)Cc1c(O)ccc2c1OC(=Cc1cc(OC)c(OC)c(OC)c1)C2=O 2296869295 YCQDUPCCROHNRP-UHFFFAOYSA-N 441.524 4.656 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2298495865 GNHHHDSBXATJRK-OSAWLIQMSA-N 434.541 4.509 30 10 IJEE Cc1scc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2303618887 ADXRIISIPPOWEI-INIZCTEOSA-N 425.403 4.797 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2305315662 FIXITGUDIKBIIE-BKUGKHNKSA-N 428.573 4.601 30 10 IJEE CC1=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C(Sc2nc3ccccc3s2)C1=O 2314457154 GYBQNQZBQSHYRO-UHFFFAOYSA-N 440.571 4.940 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Cl)cc(Br)c1F 2315462693 JDAXGXXUGLLMRQ-GOEBONIOSA-N 433.749 4.809 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317346982 PRGFVOUILPGAFF-FIFPYPGSSA-N 432.370 4.797 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)c4ccccc4OC)c3C)C2=O)c1 2322698780 WKJBTDBCYHILSC-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc5c(c4)OCO5)cc(C)c3C2=O)cc1 2322775240 OPQYGZCHKUMPPV-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2322901508 DQIBTOCHJACOJJ-UHFFFAOYSA-N 429.472 4.526 30 10 IJEE Cc1c(OC(=O)CNC(=O)c2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323057584 GJONBPPAESINOU-UHFFFAOYSA-N 439.467 4.503 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 2323400445 LCBQFKJEXMVKLX-UHFFFAOYSA-N 432.476 4.891 30 10 IJEE COc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2C)cc1OCc1ccc(C)cc1 2323419931 VXABQQMHEJDJHB-UHFFFAOYSA-N 438.549 4.512 30 10 IJEE CCC(CC)c1nnc(S)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2323486214 AIUKSHGMNBTHRB-UHFFFAOYSA-N 441.395 4.911 30 10 IJEE CCCCN(CCO)Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2324178807 XWULTACSQHSTFZ-UHFFFAOYSA-N 436.335 4.910 30 10 IJEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(C)=O 2324538846 MTXPGFLERRLFCU-LJQANCHMSA-N 432.501 4.942 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c1 2324584990 HABGUIZQGUCPIJ-SFHVURJKSA-N 435.461 4.625 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)c1 2324745235 NZRIILJWPUFCRH-UHFFFAOYSA-N 446.455 4.686 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(NC(C)=O)cc4)ccc3C2=O)cc1 2325234824 ZVYQVIDRXMYOSD-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OC)c1OC 2325512989 GRXOQPDWBIUBMO-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccccc1C(=O)O 2328567372 RIQLYLDSCWBYEM-UHFFFAOYSA-N 436.537 4.516 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)cc1 2329249037 KOUVADPPVRVJBO-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)cc1 2329918678 KIASUCKKGCYBFN-UHFFFAOYSA-N 445.504 4.940 30 10 IJEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(O)c(O)c2)cc1 2330004337 RASIATDEKPQLER-UHFFFAOYSA-N 444.560 4.806 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OC)c2)cc1OC 2330736377 PRLMGXVAYRFDSF-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccc(C)c1 2330865827 SQFCYMCIGYHRHG-UHFFFAOYSA-N 429.634 4.798 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1OC 2331187109 SRNSUAHVXDFQAL-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccs2)c1 2331362332 XLSMCGYIQWJHKD-UHFFFAOYSA-N 427.599 4.867 30 10 IJEE CC(C)=C(CN1C[C@]23CCC[C@@]2(C1)CN(Cc1ccccc1)C3)B1OC(C)(C)C(C)(C)O1 2340325474 KNFLMQKKGMWUNR-MKPDMIMOSA-N 436.449 4.942 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)c1 2345746808 ZCUVGPITJQCNCS-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE C=CC[C@H](Oc1ccnc2cc(Br)cnc12)[C@@H]1CCN1C(=O)OC(C)(C)C 2361018979 SCJSEEFMOGZDQM-HOTGVXAUSA-N 434.334 4.725 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2362710422 UDQGPOUEIQWTFD-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE C=C(Br)CN(C)[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2374280347 VVWGGDNZHUJIDD-QFIPXVFZSA-N 435.406 4.649 30 10 IJEE COc1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1F 2377631518 IZOHTEPNPVMGAU-INIZCTEOSA-N 436.281 4.998 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccccc2Cl)NCc2cccs2)n1 14157178 AZVIMCKBDSXUMK-UHFFFAOYSA-N 430.990 4.763 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1)Nc1ccccc1Cl 21081233 XQTRJUZQMSYCFE-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE COc1ccc(Nc2nnc(S[C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)s2)cc1 23362236 DYXVFTMRVGBEIC-FAGJFJLWSA-N 445.614 4.702 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2c1C(=O)/C(=C/c1cccc(F)c1)O2 41585097 YKPNLJHCIFSNLC-JLPGSUDCSA-N 444.506 4.778 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)Nc2cc(Cl)ccc2C)n[nH]1)c1ccccc1 59020602 QJHGXAVDPOSSBR-JLPGSUDCSA-N 428.949 4.724 30 10 IJEE N#CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Cl 59135171 MCQGKGILJYOQIV-QPEQYQDCSA-N 434.210 4.542 30 10 IJEE CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccc(Cl)cc1 59500573 GUJUJILPKWGXOS-KGENOOAVSA-N 438.937 4.505 30 10 IJEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Br)cc1)c1c(O)n[nH]c1N2 98036625 NOOFZWLFASXALL-BZNIZROVSA-N 442.338 4.898 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)OC)cc1 100154139 DXTYVGCKJWTORV-UHFFFAOYSA-N 428.554 4.949 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 102735015 AAYHEUJSSQTUAT-CFBLSMTOSA-N 435.288 4.978 30 10 IJEE CCCCc1nnc(S)n1/N=C\c1ccc(OCc2ccccc2F)c(OCC)c1 169910928 NSQSADFLDALMSP-OYKKKHCWSA-N 428.533 4.908 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170058342 MVPOZYXTYSHDHN-YLJYHZDGSA-N 429.875 4.545 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccc(O)c2)c1 170078930 WTGINLRVVDUVJI-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088379 PWWUFARMYGLSDN-HSZRJFAPSA-N 447.437 4.991 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)[C@H]3c3ccc(C)o3)nc2c1 170103766 ZVGXGCWJQUTKID-HSZRJFAPSA-N 441.487 4.875 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2C2CCCC2)c1 170121311 DAQHPBGHHCGDFB-NRFANRHFSA-N 441.911 4.878 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)cc1 170132576 DEYQCSIPIQWKSX-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)cc1 170162068 GFHWGSDHTVKPGD-WIYYLYMNSA-N 441.549 4.540 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1 170163545 AAAGOXNJRCKEDI-NRFANRHFSA-N 434.517 4.709 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)ccc1Cl 170166119 GZIJVIZNHTYEBJ-IBGZPJMESA-N 449.956 4.804 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)ccc1Cl 170177897 COLZLIKRQXIKPS-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccccn1 170180603 XOGMYLFXDGUIAM-IBGZPJMESA-N 440.883 4.868 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccnc2)cc1 170186339 XULFSRMGNIVFSV-HSZRJFAPSA-N 444.487 4.605 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1cccnc1 170195239 OYFDYWLNDLIJFC-KRWDZBQOSA-N 435.307 4.775 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1C(C)C 170230993 HSWLLWPIOUWWQQ-XMMPIXPASA-N 442.515 4.992 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 170239937 KOBXMXDBAWVFEC-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2F)cc1OC 170249640 KAIIBNMOQJLKDU-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccccc1C 170273109 RQFLJFCYELCRNR-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)cc1 170275123 GPQYWZZLAKAFGU-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccco2)c1 170278674 GDLKOJNJMCYQLD-OAQYLSRUSA-N 433.460 4.697 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3OC)[C@H]2c2ccco2)cc1 170283231 LELIVKPIZSJHSM-JOCHJYFZSA-N 433.460 4.642 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1)c1cc2ccccc2o1 170296721 ANGITNPGHBVLHR-JOCHJYFZSA-N 431.419 4.986 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C)o2)c(C)c1 170304725 DXPGSWXXFRADCO-QHCPKHFHSA-N 445.471 4.759 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(C)o1 170309426 PTUSEVJQVXSKSR-GOSISDBHSA-N 448.313 4.738 30 10 IJEE COc1cccc(C=NNS(=O)(=O)c2ccc(C)cc2)c1OCc1ccccc1Cl 252608664 HMIWADGTJRWIEE-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE C=CCCCCCCNS(=O)(=O)c1ccc(Br)cc1Br 312547536 GJSBHBIEDQUTHT-UHFFFAOYSA-N 425.186 4.626 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 407490521 AEMAAJVCELXSBC-DLBZAZTESA-N 429.786 4.540 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCCN(c2nccs2)CC1 460541609 AENLQDLTXKNUIW-UHFFFAOYSA-N 448.518 4.713 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Br)ccc1OCCOC 481005479 WWVBPKNGCHYQLH-UHFFFAOYSA-N 444.329 4.566 30 10 IJEE C=CCn1c(SCC(=O)N(CC(C)C)CC(F)(F)F)nnc1-c1cccc(C)c1 510329674 RRKPJTWIKXNDCS-UHFFFAOYSA-N 426.508 4.579 30 10 IJEE CCOc1cc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526486071 JIVGRNFYNAYFHL-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccncc2)c1OC 526608289 CAISHDDYSWQQDJ-NRFANRHFSA-N 447.878 4.681 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 548938163 BWKMZPACYNACSN-IBGZPJMESA-N 431.584 4.661 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2cccn2)CC1 555269446 XIQJTACKYFTZAB-NRFANRHFSA-N 434.588 4.724 30 10 IJEE C=CCN1C(=O)N(c2nc(C)c(Cc3cccc(C)c3)s2)C(=O)[C@@H]1Cc1ccccc1 557401501 IKXWCAXXDVKJIC-NRFANRHFSA-N 431.561 4.917 30 10 IJEE CCOc1ccc(CCN(CCCC#N)S(=O)(=O)c2ccc(C)c(C)c2)cc1OCC 586127522 FWRYJNSOTJBTSR-UHFFFAOYSA-N 444.597 4.638 30 10 IJEE COc1ccc(CCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 609502293 WILSEQUHKYVHEI-UHFFFAOYSA-N 430.504 4.925 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1cccc(C#N)c1 610366706 RPSJDIALHANMTO-XOBRGWDASA-N 432.351 4.887 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C[C@H]4CCOC4)C3)n2Cc2ccccc2)c1 619817972 FLEGTHUWBPWEBU-XZOQPEGZSA-N 427.552 4.508 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2CCC(c3ccc(C)nc3)CC2)c1=S 782943533 UBHBVOHMCYOJAB-UHFFFAOYSA-N 435.597 4.720 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(Oc4ccccc4)CC3)n2Cc2ccccc2)c1 802087606 BPEOLLIPARQZCW-UHFFFAOYSA-N 435.531 4.913 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)c2cccs2)n1 1084011830 JTNJFTCRWRPKFC-UHFFFAOYSA-N 446.627 4.935 30 10 IJEE COc1ccc(N=C2C(=O)N(CN3CCC[C@H](C)C3)c3ccc(Br)cc32)cc1 1084088325 HRGYGWVLLDWKCV-HNNXBMFYSA-N 442.357 4.615 30 10 IJEE CC(=NOC(=O)COc1c(C)cc(Br)cc1Br)c1cccs1 1084103081 VONBKXJPUXHDFC-UHFFFAOYSA-N 447.148 4.928 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC1(CC#N)CC1)c1cccc(Cl)c1Cl 1128609932 AXIGIBOSBUZJAA-MRXNPFEDSA-N 426.344 4.711 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1129663546 GMTUHUFDFDEXQK-REWPJTCUSA-N 436.552 4.661 30 10 IJEE C=CCc1cc(C(=O)N2CC3(CC3)c3ccc(Br)cc32)cc(OC)c1OC 1131396031 LGMSVZQFHUEJDM-UHFFFAOYSA-N 428.326 4.887 30 10 IJEE C#CCN(C(=O)CCc1ccc(OC)c(Br)c1)[C@H]1CCCc2ccccc21 1134094200 ZTXMBRYEKLCMCN-NRFANRHFSA-N 426.354 4.930 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 1159778699 NFDXNUVKTZEEHG-SFHVURJKSA-N 442.585 4.662 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 1160821362 HJCVDHFJFLDJBU-AWEZNQCLSA-N 428.330 4.990 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 1161579988 AYJNLVMGIOEFQU-NRFANRHFSA-N 436.552 4.733 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(c3cc(Br)c(C#N)cc3F)C[C@]2(C)C1 1163839133 ZHDOIORYGXWJEP-BGYRXZFFSA-N 438.341 4.543 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@H]3CCCC(=O)N3)c2)cc1OC 1179608437 ZEDDINXLZJNAKT-LJQANCHMSA-N 445.357 4.976 30 10 IJEE N#Cc1nc(NC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)ccc1Br 1208089452 HNAXXHVSFQOWPQ-GOSISDBHSA-N 439.288 4.960 30 10 IJEE Cc1cccc([C@@H](O)CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 1215105719 ADPQFGRGZNMVRE-QFIPXVFZSA-N 435.911 4.954 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCc2ccccc2N2CCOCC2)cc1 1218048923 BMZJKGCDKVHGRA-UHFFFAOYSA-N 444.560 4.868 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1254893483 JKRFRDWZZKZFOB-HXUWFJFHSA-N 441.597 4.808 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2C)ccc1F 1264956954 CYMWSGJZCMHEJG-UHFFFAOYSA-N 440.496 4.643 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(S(=O)(=O)C3CC3)cc2)cc1F 1265514717 GRJVCBMMEBSHCM-UHFFFAOYSA-N 436.464 4.678 30 10 IJEE C=CC1(CC(=O)N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CCCCC1 1267710598 WJBDNSVORQZPIA-LJQANCHMSA-N 433.390 4.896 30 10 IJEE CCOc1cc(C(=O)Nc2ccc(Br)c(C#N)c2)cc(OCC)c1OCC 1274484430 GFBALYSZQCPVNR-UHFFFAOYSA-N 433.302 4.769 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1275698754 JQAATWCJPLWPNP-DHIUTWEWSA-N 436.621 4.803 30 10 IJEE Cc1c(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)ccc(Br)c1F 1278849974 CQAZJTBDKVUPIG-UHFFFAOYSA-N 434.284 4.763 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)c1cccs1 1286424581 YSOFFZGZKJSJOS-UHFFFAOYSA-N 439.588 4.996 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286451231 VUMZHLBESNILNI-HRAATJIYSA-N 449.382 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)CCOC 1286527728 PPVSMOJGPPAACS-HSZRJFAPSA-N 430.980 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CCOC)CCCC1 1286580981 IKPFXKGKCCHXLZ-QFIPXVFZSA-N 440.588 4.790 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1286648535 KWLBGOCLTFNHNK-UHFFFAOYSA-N 431.625 4.814 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](OCC)C2CCCC2)CC1 1286664945 MOOAEXRQQSEJGE-QHCPKHFHSA-N 440.636 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1286669469 HCIXUKHHMZSMLX-UHFFFAOYSA-N 432.572 4.634 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286693146 USHFXVJAOHWVQO-LJQANCHMSA-N 429.996 4.696 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286697941 YFCOZFOKOHFCIC-UHFFFAOYSA-N 426.952 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1286717631 DRYIBBYRSTZAFY-KBPBESRZSA-N 442.361 4.591 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1286722695 QAHGMKOOFASJFE-FQEVSTJZSA-N 438.576 4.598 30 10 IJEE C[C@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1291083402 BDRWPXYHIKDIFI-RBBKRZOGSA-N 434.632 4.891 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)s1 1292550689 DLJJYJPDWHOEMR-HTAPYJJXSA-N 435.597 4.913 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CN(C(=O)OC(C)(C)C)C1 1295600612 KZLLXIXTZQTJBX-UHFFFAOYSA-N 432.524 4.777 30 10 IJEE C#CC[C@@H](NC(=O)c1oc2ccccc2c1CSc1ccccc1Cl)C(=O)OC 1299179620 UKXXFSSJZSNVQN-QGZVFWFLSA-N 427.909 4.673 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1ccco1)N1CCCC1 1300443763 LYNMUZBSYASTBX-JOCHJYFZSA-N 431.584 4.742 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCc1cccc(C)n1 1300520800 JPRLKPSGMBUICO-UHFFFAOYSA-N 425.580 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1(CC(C)C)CC1 1300788629 GTLJBKABUSMLRO-OAQYLSRUSA-N 444.421 4.865 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1301186930 LUBAMBJIGVNOHP-FQEVSTJZSA-N 446.542 4.642 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1 1301358348 ZQDGDNSPYJKPQH-DEOSSOPVSA-N 445.548 4.572 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301467515 XDDRUDLYTGKVRJ-HXUWFJFHSA-N 432.996 4.689 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CCOC 1306307675 BBAXJTWMXDTCPI-DLBZAZTESA-N 433.959 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)Nc3cccc(CC#N)c3)C2)C1 1310750368 BYMDSSOTENWDKJ-VQTJNVASSA-N 426.561 4.644 30 10 IJEE CC#CCN(C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1311359415 HZNFMEFLQTTXBH-LJQANCHMSA-N 436.408 4.819 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)c1ccc(C(F)(F)F)cc1 1312341086 GENKIFPJLHSLMH-HXUWFJFHSA-N 431.458 4.580 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl)c1ccc(Br)cc1 1312528913 GPJYNWJKPFWIPP-FASAQXTFSA-N 435.749 4.852 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2OC)cc1 1351527793 FBQJAPDEIYBZKA-UHFFFAOYSA-N 429.314 4.524 30 10 IJEE 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AAWJSMQOJKUNNW-WOJBJXKFSA-N 434.943 4.856 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 1760474947 NWDZDRRKTFFFOF-UHFFFAOYSA-N 439.604 4.635 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1761613552 DDELVWSEHBWTFJ-IEBWSBKVSA-N 435.597 4.824 30 10 IJEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCC)CCC2)C1 1764265872 BQFFZBJZBIFJEL-QFIPXVFZSA-N 434.632 4.955 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC[C@H]1C 1766085868 HHCPVNPFQUJDQB-UMEGOILYSA-N 437.588 4.822 30 10 IJEE C=CCN(CC=C)C(=O)Oc1cccc2c(NC(=O)c3ccc4c(c3)OCO4)cccc12 1858947504 HBIBXXQNFRYTAW-UHFFFAOYSA-N 430.460 4.994 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cc(CC)n(Cc2ccccc2)n1 1860998146 SEVYJRFAWXHYOW-HSZRJFAPSA-N 440.632 4.869 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 1861179490 XGWOVALHCBEEPJ-NRFANRHFSA-N 447.639 4.799 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Cl)s1 1861742144 WYGMWVJOBUSZQY-GOSISDBHSA-N 437.005 4.925 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)c1 1862457974 BVGKPJMPFCXCJW-FQEVSTJZSA-N 433.426 4.737 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2)c1 1862487053 RFAGRLIDPGZOOH-XMMPIXPASA-N 427.500 4.961 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(Cl)cc2)ccc1F 1862503015 NXAQVYCSRZVIFK-HXUWFJFHSA-N 431.891 4.528 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 1862507980 VYLSDRWSLJPIAC-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862584049 OYTNCHFHKSOFKB-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 1862620437 RTCRLNVOYCMHCC-QFIPXVFZSA-N 437.536 4.933 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccccc1F)c1cccc2ccccc12 1862650489 XEIOEZZGOYYIMG-QHCPKHFHSA-N 433.479 4.720 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)ccc1O 1862677181 APRDDKZOCUXUFF-QFIPXVFZSA-N 439.483 4.841 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)CC)cc1OCC 1862683232 HUFSQGRKEVSYGS-QRQCRPRQSA-N 441.499 5.000 30 10 IJEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc2nc[nH]c2c1 1870792099 ZZRUNAOFDHWKOU-UHFFFAOYSA-N 440.588 4.849 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CNc1ccccc1C 1870823756 BCUVSVYSANYDIN-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccc(C)c(C)c2)cc1=O 1870838387 BAAMNWSFYUNGDR-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2C)C1=O 1871373918 LKNUMLCJJMJCSA-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871459138 SEPYVFXGQSFNJD-QRVIBDJDSA-N 444.443 4.791 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872005440 UYADFTRSPKEADM-NFBKMPQASA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCCCC)cc1)C(C)C)S(=O)(=O)C1CC1 1872161760 SFZPWVWOSFUIMA-JOCHJYFZSA-N 436.618 4.589 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872303355 CXFFTYBJLNJVJM-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(C2CCN(C)CC2)C1=O 1873025476 FXJOMWUTYLVSBA-UHFFFAOYSA-N 447.623 4.964 30 10 IJEE CCCCCCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2c(C)cc(C)cc2C)C1=O 1873123076 RFKKKURJAUOWFY-UHFFFAOYSA-N 436.600 4.608 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873161422 MFOIYAGQFSLLRO-UHFFFAOYSA-N 434.536 4.646 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(OC)c(OC)c2)c2cnn(-c3ccccc3)c2n1 1873481944 ZAIVZKKNZMLAFK-UHFFFAOYSA-N 442.523 4.755 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(F)cc1 1874245261 WLGAYYYHZCRSQV-MFKUBSTISA-N 428.577 4.533 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)cc1 1874306447 XPNJKGZGGJUTOI-CVKSISIWSA-N 435.528 4.714 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc(O)cc2)cc1 1874350624 VWCMVBMASKHEIY-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874366715 PXXNISQMEHWYRL-WYMPLXKRSA-N 448.379 4.752 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cc(C)ccc2O)cc1 1874511685 KGJMGDZGXSOOMT-ZMOGYAJESA-N 437.569 4.591 30 10 IJEE Cc1ccccc1COc1ccccc1/C=N/n1c(S)nnc1CCOc1ccccc1 1874562903 YHFSFSCWCZOOBR-YZSQISJMSA-N 444.560 4.958 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Br)cc2)c1OCCCO 1874574216 BBIFVZUPJXQCLL-VMPITWQZSA-N 425.706 4.768 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)cc1 1874595133 VYKTYQJPDYBCEK-MKMNVTDBSA-N 431.488 4.926 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OC 1874597327 GHYDSROJZDFCOB-JXMROGBWSA-N 443.515 4.766 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875119536 ZSRVTRYBKHPVRM-ZHACJKMWSA-N 427.453 4.850 30 10 IJEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1 1875163628 VFSZDOMKLRFVJL-DHZHZOJOSA-N 426.509 4.592 30 10 IJEE N#Cc1ccnc(O[C@H]2CCN(C(=O)Cc3cc(Cl)ccc3Oc3ccccc3)C2)c1 1891551371 BPDBFHYPBDHTDP-NRFANRHFSA-N 433.895 4.621 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 1922052427 SFUFMEBFNURMRX-YADHBBJMSA-N 434.621 4.524 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)cn1 2003373082 WHWIKRULBBBBKY-HNNXBMFYSA-N 431.497 4.931 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 2023553699 VLWREAFIXVEMBE-VWKPWSFCSA-N 436.557 4.900 30 10 IJEE CCN(CCCOCc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2035660882 OLXSSOAGTSKTGW-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE N#Cc1ccc(NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)cc1Br 2043966081 AFCHNGSUWFIYSB-UHFFFAOYSA-N 446.320 4.874 30 10 IJEE CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 2053578004 GUERPVMWCQXYEU-KXXKMALSSA-N 444.656 4.820 30 10 IJEE CC1(C)C[C@@H](CNc2ccc(C#N)c(Br)c2F)N(C(=O)OC(C)(C)C)C1 2106006229 IYQQDDWRZAJXRI-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cccc(F)c1Br 2124444272 BQVZCCOAJXPIGW-AWEZNQCLSA-N 428.302 4.504 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)cc1 2124539745 YYLYOUIAJKIIAW-UHFFFAOYSA-N 442.365 4.597 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2145542237 USJHLPUUMPWOBJ-GJZGRUSLSA-N 441.414 4.643 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(CNc3cc(Br)cnc3C#N)cc2C1 2167616776 MPYKFKIMNJLJEA-UHFFFAOYSA-N 429.318 4.579 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)Nc1ccc(C#N)cc1Br 2181108938 YXUZWFIGJYBIRY-HNNXBMFYSA-N 436.350 4.829 30 10 IJEE CC[C@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2181141514 MCXHYGVYSMNKLZ-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CCC12CC2 2211197149 OLFQZPOISTUTBB-LJQANCHMSA-N 433.471 4.612 30 10 IJEE C=CCN(CCC(=O)N(C)Cc1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2229400628 DLDUXNYOCJVZOD-UHFFFAOYSA-N 445.423 4.899 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2235732373 RTGMVPMQTUFOPP-IEBWSBKVSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 2235734329 WMSRSOAXVTWBRG-OALUTQOASA-N 435.406 4.958 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2235747965 UYUOOIZALIRBIL-JXFKEZNVSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)NCC1([C@@H](N)C#Cc2ccccc2Br)CCCCCC1 2235749402 KFJYJCYDBZRAHD-IBGZPJMESA-N 435.406 4.993 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255778040 MMZDTGNYWGRRHM-SFHVURJKSA-N 425.353 4.812 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(CC(=O)C#Cc1cccc(Br)c1)C(F)F 2278733271 RQVUSBRNZOUXQH-LJQANCHMSA-N 430.289 4.556 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C1CCCN(C(=O)OC(C)(C)C)CCC1 2289765600 HSVJTHYOTQTVLT-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1 2293990311 OZSLOFJBZABULA-UHFFFAOYSA-N 448.475 4.995 30 10 IJEE CC[C@]1([C@H](C#Cc2cccc(Br)c2)NC)CCCN(C(=O)OC(C)(C)C)C1 2296217026 PXNYYROOQOVHTQ-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296269126 MCNWKJXGXXMARL-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2296271798 HJZUYQGZWSDHDW-HKUYNNGSSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2296287076 SDQYOIBWCBMDSD-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CC(C)C1 2296289033 NKQZAQHIJIKFMQ-UEUGHCDMSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2296291617 QNNBDQCIDUSSLE-VQTJNVASSA-N 435.406 4.720 30 10 IJEE COc1ccc(N=C2SC(=Cc3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)N2C)cc1 2297462808 LYMITISHXLHCNP-UHFFFAOYSA-N 434.477 4.628 30 10 IJEE O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2ccccc2)C1=O)NCc1ccccc1 2297672470 PXJXKJOPNPCEIY-HSZRJFAPSA-N 443.572 4.567 30 10 IJEE COc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 2313511328 BNMJOCQWHXCHFJ-UHFFFAOYSA-N 448.504 4.903 30 10 IJEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C3CCC5(CC3)OCCO5)C4)C2=O)cc1 2322430197 QCVXDYWQEDBOHH-UHFFFAOYSA-N 447.531 4.757 30 10 IJEE CC(C)(C)n1ncc(NN=Cc2ccc(OCc3ccccc3F)cc2)c(Cl)c1=O 2322601381 MKZYZDBVFOXZSR-UHFFFAOYSA-N 428.895 4.816 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)cc1 2322781721 DUQRTTMNWDSIPC-UHFFFAOYSA-N 432.403 4.756 30 10 IJEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323310225 DVOITDHNBCYHJR-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(Cl)c1OCCCO 2323651034 QUXLWEMTVGIOLD-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCc3ccccc3C#N)ccc2C1=O 2325351648 UPAKYDDVVNUYFW-UHFFFAOYSA-N 443.455 4.779 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccccc1F 2325513568 FUMYCLRPOIFFBG-UHFFFAOYSA-N 430.505 4.704 30 10 IJEE COc1cccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SC)c1OC 2326357920 GCHPOOQEVWLQPO-UHFFFAOYSA-N 440.569 4.528 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2cccc(O)c2)CC1 2328179468 MNZMHZDTACEOQP-UHFFFAOYSA-N 430.574 4.595 30 10 IJEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1cn(C)c2ccccc12 2328699579 WTHKOKYKAXJNPF-UHFFFAOYSA-N 431.565 4.724 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)cc1OC 2330894617 PRJFZHZFVBSKHD-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE CCOc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)c1 2330935499 ZMBAXOQKPSXYGA-FQEVSTJZSA-N 426.517 4.842 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)cc1 2331047025 QIDWNSOBVPROFJ-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2F)c(C)c1 2331474946 ZNBXYPWAARXDJS-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)COCCOC 2331653698 YBHBWLFRCFOYCP-UHFFFAOYSA-N 440.536 4.783 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(Cl)c(Br)c1)NCC)C(=O)OC(C)(C)C 2337912398 YUGPLASIKPEFRO-MRXNPFEDSA-N 443.813 4.884 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578244 DTRZANFOFZRUNQ-ASLVEYIASA-N 444.381 4.751 30 10 IJEE CC1(C)OB([C@@H]2CCN(C(=O)CCCc3ccc(Br)s3)C2)OC1(C)C 2342480170 AZMXYKJJVORETN-CYBMUJFWSA-N 428.201 4.528 30 10 IJEE CC[C@H](N[C@@H]1C[C@H](C)CN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844072 NIQRIRNRUCBNIC-BYXVTNLJSA-N 448.460 4.937 30 10 IJEE Cc1cc(CN[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369680528 USOCDBXQYDQBGR-PBROBROCSA-N 446.444 4.579 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(N)C#Cc1cccc(Br)c1 2380877136 YTBPEXXAGVVFRA-LFWOZUSOSA-N 433.390 4.602 30 10 IJEE CCOc1ccc(C(=O)/C(=C(/S)Nc2ccccc2C)[n+]2ccc(N(C)C)cc2)cc1 22695806 YDKOMFDSGFYQAS-UHFFFAOYSA-O 434.585 4.798 30 10 IJEE COc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)c1 34848298 SKXMIZVXINEAHY-UPTOSOBMSA-N 425.484 4.873 30 10 IJEE COc1cc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)ccc1O 39866765 FTIUXKNQLVWDAT-CQJVDGAYSA-N 446.484 4.908 30 10 IJEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)O/C(=C\c3ccccn3)C4=O)oc12 41354102 UDZGQMMJSOBFKA-NDENLUEZSA-N 427.412 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](COc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95084097 KCUHAKLFGWMVGX-HXUWFJFHSA-N 432.524 4.592 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(CCC#N)CCc1ccccc1 100438056 FVSDUXBLEAZEQP-OAHLLOKOSA-N 435.749 4.855 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 102722251 JOQXVXYSLUWUFS-VFJWVMJUSA-N 446.503 4.915 30 10 IJEE CCO/C(=N\C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 102965710 PYBBFRGFAHPUOK-NKGSMZSXSA-N 426.925 4.959 30 10 IJEE CCC(CC)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1cccc(OC)c1 105817442 LMHXWKAWPFYCDH-XUKXGFMLSA-N 425.554 4.844 30 10 IJEE CCN1C(=S)N[C@@H](c2cc(Cl)c(OC)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169931577 MAHMVWAHICDLTC-IBGZPJMESA-N 430.957 4.765 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936304 GNNYXHAIXVBOTO-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE CCOC(=O)Cc1csc(N/N=C\c2cc(Cl)c(OCC(C)C)c(OCC)c2)n1 169941394 XEDRYFCVAWLHGK-YVNNLAQVSA-N 439.965 4.782 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)s1 169961896 ZTCKPGXTQPFZMW-GOSISDBHSA-N 440.908 4.902 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169964517 BGHNUGKLWDDTEB-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccc(C)c2)cc1 169968624 ZPLBPJYVODYBAF-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@@H]1c1ccncc1 170025673 IJFJDAGQOLOLQA-XMMPIXPASA-N 442.515 4.794 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(N(C)C)cc1 170128345 AHDCQASCVHCGHU-XMMPIXPASA-N 444.531 4.521 30 10 IJEE Cn1cc(CCN2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c2ccccc21 170179728 TZEJPUKHRVSPON-UHFFFAOYSA-N 448.979 4.710 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccn1 170181819 PGFHENLOAOEHID-HSZRJFAPSA-N 430.504 4.628 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)ccc1OCC(C)C 170182188 GBBUBOJHJJHOIR-QHCPKHFHSA-N 434.536 4.946 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)cc1Cl 170185561 HVJMMHYMRXCSMS-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccncc2)c1 170200541 XVSAKLHUWHNSDX-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1C 170250618 CUUDOVRAFGBZRL-QFIPXVFZSA-N 435.451 4.904 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170297828 MRTRQFCMYBLSBI-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(C)o2)c(C)c1 170304372 SYIIWPQZJIEGQU-QFIPXVFZSA-N 433.460 4.702 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170338438 RKCQGFHDWXIXLP-DEOSSOPVSA-N 442.515 4.934 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OCc2ccccc2)cc1 170412295 TXGXHYZOXJBOHL-JOCHJYFZSA-N 449.528 4.552 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 209982015 IIYWFJCUVHOFSP-KYEJRSDJSA-N 432.564 4.740 30 10 IJEE Cc1c(C=Nc2ccc(N3CCOCC3)c(Cl)c2)c(O)n2c(nc3ccccc32)c1C#N 252517895 UPCGAZNEACZBJQ-UHFFFAOYSA-N 445.910 4.614 30 10 IJEE CCCN1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)SC1=Nc1ccc(OC)cc1 252598405 CZWNWRCSTATLPF-XOLKAKTPSA-N 437.521 4.620 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccc2ccccc2c1 253570875 OEYQGRXRNBLLEF-UHFFFAOYSA-N 425.517 4.887 30 10 IJEE CC(C)CCOc1ccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 254486938 RQZBLBOSPYVVMO-QHCPKHFHSA-N 445.466 4.514 30 10 IJEE ON=C1C[C@H](Sc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2)[C@H]2CO[C@@H]1O2 254615252 CRCGPAKBIIZFSD-ZIFCJYIRSA-N 447.438 4.752 30 10 IJEE COc1ccc(C#N)cc1CNc1ccc(I)cc1Br 312804015 RBQAYSRMMOEHCV-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE Fc1ccc(I)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CS 382718300 LXXWIICYQHYPMZ-WMLDXEAASA-N 427.326 4.576 30 10 IJEE N#Cc1ccc(NC(=O)c2c(F)cccc2I)cc1C(F)(F)F 472358615 HWBHPZHZFPJUQC-UHFFFAOYSA-N 434.130 4.573 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(Br)cnc1O 516372324 GZPQKSZAPBLHHH-UHFFFAOYSA-N 426.295 4.825 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526487093 USZSICUBMHQHHL-XMMPIXPASA-N 442.471 4.815 30 10 IJEE COc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)c1 526657440 SLGKCHGRLBBMPQ-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(Sc2ccccc2)C1=O 526659362 QDCPMPIXEDTJQJ-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE C[C@H]1CCC[C@](C#N)(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)C1 532496850 WUZHPWRBWTWZIV-AOMKIAJQSA-N 427.574 4.724 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 549327398 OPNQUAWXYILZIG-LJQANCHMSA-N 448.596 4.725 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](c2ccc(Cl)cc2)C1 555243171 JVUNDEFBTGSKHL-QGZVFWFLSA-N 446.942 4.817 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1nc2c(s1)CCCC2 562756987 QGNCGVUBQVUINI-UHFFFAOYSA-N 439.585 4.510 30 10 IJEE CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)n1 598954896 FKCCKVCHKSVSQK-HOTGVXAUSA-N 433.533 4.641 30 10 IJEE N#CCc1ccccc1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687753293 UUORSIHLCWIJNL-DEOSSOPVSA-N 426.472 4.807 30 10 IJEE CC(C)(C)[C@H]1CCS/C(=N/CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)N1 705692327 OMTNICNMFFNIFL-HSZRJFAPSA-N 437.653 4.955 30 10 IJEE C#CC[C@@H](OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)c1ccccn1 727775213 BURBJSZPOLPONR-XMMPIXPASA-N 439.467 4.997 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1 728247180 NPWYBQMULPILQC-HSZRJFAPSA-N 432.451 4.959 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1csc(Br)c1 731071830 WCAJJQNDNFYMKD-LLVKDONJSA-N 439.356 4.700 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 742214863 MBAZYFWJGWGTHK-HXUWFJFHSA-N 441.503 4.647 30 10 IJEE Cc1nc(-c2cccc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c2)cs1 745675708 CDMAFVNGYRZMSZ-GFCCVEGCSA-N 437.546 4.724 30 10 IJEE COc1ccc(CNC(=O)N[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1C#N 746710674 NKGHHVNVUOTORY-SFHVURJKSA-N 445.519 4.715 30 10 IJEE COc1ccc(CNC(=O)N(CCCN(C)C)Cc2ccc(Cl)c(Cl)c2)cc1C#N 747435765 NKVXIFBNGSCWBR-UHFFFAOYSA-N 449.382 4.537 30 10 IJEE C=CCN1C(=O)N[C@@H](c2cnc(-c3ccncc3)s2)C(C(=O)Nc2ccc(F)cc2)=C1C 753385354 UGESJTAVBZIQIK-FQEVSTJZSA-N 449.511 4.509 30 10 IJEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 792748511 QBPVKNSISKENCA-KNQAVFIVSA-N 444.560 4.547 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC2(CCC2)c2ccccc21 812186065 IKISIHQOEFUCPZ-UHFFFAOYSA-N 443.551 4.854 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2C1 1126035472 GXKUGKYEHZDHCG-UHFFFAOYSA-N 444.491 4.759 30 10 IJEE C#CCN(C(=O)c1ccc2nc(C)ccc2c1)[C@@H]1CCOc2ccc(Br)cc21 1126230361 VZJPHNLDXTUAKV-OAQYLSRUSA-N 435.321 4.905 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccccc1 1127300509 FJYLPQFMQQSRSP-AUSIDOKSSA-N 426.582 4.687 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cccc(OCc2ccccc2Br)c1 1139865416 HSLFOGWPLWZXHD-UHFFFAOYSA-N 431.374 4.608 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C 1141989395 RYLGZADPKAUUBC-UHFFFAOYSA-N 449.292 4.503 30 10 IJEE C=CCc1cc(CNC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc(OC)c1OC 1142605114 XUZICQDKFJDUTI-UHFFFAOYSA-N 430.476 4.764 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 1144409555 QCMDNWINUIXBCR-UHFFFAOYSA-N 427.504 4.588 30 10 IJEE CC(C)(C)c1ccc(C#N)c(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1 1166382627 DXHONGSYDMZCGA-UHFFFAOYSA-N 427.548 4.901 30 10 IJEE C[C@H]1CN(c2ccccc2F)CCN1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1169927307 DUOAQXBEUKUARR-DLBZAZTESA-N 440.588 4.565 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CCc2ccccc2)C2CC2)n(-c2ccc(F)cc2)c1C 1176411124 FPYCUIHTKJQZRK-UHFFFAOYSA-N 430.527 4.751 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c(Cl)c1 1209889699 VZGUSXRKCRAEHA-HNNXBMFYSA-N 432.749 4.732 30 10 IJEE C[C@H]1CN(c2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cn2)C[C@@H](C)O1 1217246729 FAOOMCLDRVOWTE-CALCHBBNSA-N 447.564 4.617 30 10 IJEE C#CC[C@@H](NC(=O)NCc1cc(Cl)cc(I)c1)c1ccccc1 1224388921 PXZALJCBYDVZMQ-QGZVFWFLSA-N 438.696 4.508 30 10 IJEE Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)cc1 1264082283 CAWJBCQPKRRPDK-INIZCTEOSA-N 436.924 4.635 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 1265258676 GJIDIWVSAKWWSB-INIZCTEOSA-N 437.341 4.577 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(C)c1F)[C@@H](Cc1ccccc1)C(=O)OCC 1269219427 BGFVDUQFZSHRQU-IBGZPJMESA-N 448.332 4.699 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1Cl 1286282656 RNUOTJCMIKAUCY-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1286438151 QUMJEGSVUKNWFN-NZQKXSOJSA-N 449.624 4.558 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCOC(C)(C)C 1286555159 WPPOSKKEADEIKQ-UYAOXDASSA-N 432.996 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1ccc(C)cc1 1286748857 DDSYZKMKUCTVFC-NQIIRXRSSA-N 435.597 4.595 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1CCc1nc2c(s1)CCCC2 1286756176 RFVOCPQSZAFAMJ-UHFFFAOYSA-N 435.597 4.710 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCS[C@@H](C(C)C)C2)cc1 1286794420 GGUBKRGSVQTOBA-JOCHJYFZSA-N 435.597 4.531 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC1(OC)CCC(C)CC1 1299892448 IARXYNABIUFBGR-BNGSBABLSA-N 445.995 4.941 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1cccnc1)C(C)C 1300609032 HVDBZUJPOLJFMJ-NRFANRHFSA-N 437.975 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCOc1ncccc1Cl 1300785662 AXFVDMZANCIKDV-NBGIEHNGSA-N 449.986 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 1300888150 IGIPDRQHYACCOU-NWSQWKLXSA-N 445.007 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCN1CCCC1 1300905737 VBHGWFKJODMKHM-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1cc(C)cc(C)c1 1300919153 WXHKOIYSSCDSCX-UHFFFAOYSA-N 428.584 4.779 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300931230 XGSALMDEHIPSEF-SFHVURJKSA-N 441.377 4.531 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCCCC2)CC1 1301105504 KHIXEKNRGIWNIQ-LJQANCHMSA-N 444.023 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1301146079 QZHMEJSGBSSOSW-UHFFFAOYSA-N 434.588 4.578 30 10 IJEE N[C@@](C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)(c1cccc(F)c1)C(F)(F)F 1306832890 FWZQRRWUJLKRGM-XHBKTUGNSA-N 434.355 4.623 30 10 IJEE C=CCn1c(SC[C@@H]2CC[C@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307237457 ADQOWPAFASXNSJ-TYNCELHUSA-N 444.544 4.971 30 10 IJEE C=CCn1c(SCOC(=O)N2CCCC2)nc2scc(-c3cccs3)c2c1=O 1307248376 NKZPSZLEGYPHHD-UHFFFAOYSA-N 433.580 4.655 30 10 IJEE C[C@H]1C[C@H](c2ccccc2)C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 1309578981 GUONOUUKLJEKQY-JCGIZDLHSA-N 433.371 4.571 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)C1 1310646929 MRTRMIFAXNHIIF-QGZVFWFLSA-N 431.533 4.755 30 10 IJEE Cn1cc(CNC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)c(-c2ccc(C#N)cc2)n1 1312478809 BPFOLZBECVWJHF-UHFFFAOYSA-N 440.334 4.533 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(CCC)on1)c1ccc2c(c1)OCCO2 1350084611 CVQNLVFEIFIJJZ-UHFFFAOYSA-N 434.492 4.810 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1351219978 DGYIUBJCWSXFMG-AOOOYVTPSA-N 429.158 4.524 30 10 IJEE C#CCCCn1c(N2CCC3(CCCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935733 RLFRNPQKKCQBSH-BGYRXZFFSA-N 441.620 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1359066582 HDANTFRLVFSVGN-OHUGHZGNSA-N 440.035 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(CC)CCC 1359066891 UESXOEUEOFPICZ-JOCHJYFZSA-N 434.415 4.976 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCc2cc(Br)ccc2C1 1359090580 CWOBKTHDNFRDPG-UYAOXDASSA-N 445.405 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H](C)C#N 1359090920 HMUGMEAQDUOSCS-TUUKDFBESA-N 437.588 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1359108120 CEXFDMVGROLEFP-AZUAARDMSA-N 432.515 4.930 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2CCC[C@H]21 1359126826 AFEIKOCADUJDFW-IRFCIJBXSA-N 428.552 4.919 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1359130003 VDHQEGTWJBJGDK-UHFFFAOYSA-N 448.615 4.576 30 10 IJEE C=C(Cn1c(N(C)CCCC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1359140817 NKHQVESAEHRZOD-OYRHEFFESA-N 439.604 4.999 30 10 IJEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1359149727 HCSNFWKJFVYCNL-KRWDZBQOSA-N 426.870 4.895 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCOC2CCCC2)CC1 1359162574 VYOOOUHDKODHSJ-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1cccs1)N(C)C 1359274593 SXCCDJFSWJHJOU-SVFBPWRDSA-N 443.661 4.740 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C 1359345471 HAJADIYJKMDUOY-OAHLLOKOSA-N 437.407 4.528 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1360649214 DHPGJZTWEMVZTL-FQEVSTJZSA-N 435.524 4.788 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1436214491 SSDIJDUBTMUKNC-SQJMNOBHSA-N 444.620 4.939 30 10 IJEE C#C[C@H](NC(=O)CCCCc1ccc(OC)c(OC)c1)c1ccc(Br)cc1 1436651245 NCGURODFBRNACA-IBGZPJMESA-N 430.342 4.670 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccccn3)nc3sccc23)cc1OC 1438182358 SEQLYQQBNFXTJF-CSKARUKUSA-N 444.516 4.979 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1442771430 CXNWKJYJNWUDFT-MRXNPFEDSA-N 442.478 4.742 30 10 IJEE CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1448114027 DJEQUWZNCNONNS-XMMPIXPASA-N 442.519 4.813 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 1458178093 XPSZNZWIIRYOQI-ICSRJNTNSA-N 437.506 4.757 30 10 IJEE C#Cc1ccccc1CC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1460631052 AEVVTOJVQWCWBI-NRFANRHFSA-N 434.536 4.976 30 10 IJEE N#CCCn1cc(CNc2cccc(S(=O)(=O)C3CCCCC3)c2)c(-c2ccncc2)n1 1461568842 BGPFIZAVTHRDSR-UHFFFAOYSA-N 449.580 4.577 30 10 IJEE C#CC1(NC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CCCC1 1462446273 ZDVVMZIZMSDWLO-UHFFFAOYSA-N 430.455 4.690 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 1465626636 BMVXSAASUPBAAH-INIZCTEOSA-N 430.574 4.556 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1466207538 PTONVBQWYDQLDK-JOCHJYFZSA-N 430.504 4.821 30 10 IJEE Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2)cc1C 1466242333 HVTGEJUVQMRKHK-XMMPIXPASA-N 447.560 4.879 30 10 IJEE C[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)N(C)Cc1ccccc1 1466519883 FWTQSKOCHXFXQO-LJQANCHMSA-N 444.583 4.683 30 10 IJEE C[C@H]1CN(c2cc(F)cc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)C[C@@H](C)O1 1466993058 DQTFLFDVCGDWKU-GXKKKHDSSA-N 436.531 4.743 30 10 IJEE C=C(C)CONC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 1469743297 SJIJYVYGWBTVOG-UHFFFAOYSA-N 449.743 4.685 30 10 IJEE COc1ccc(CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C(C)(C)C)cc1 1473522784 HKENKTAZVXGKKN-UHFFFAOYSA-N 448.567 4.866 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)Cc1cc(Br)cc(Br)c1N 1474327502 HPWLKCSMEXHFJU-UHFFFAOYSA-N 440.179 4.991 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)NCCc1ccc(C#N)cc1 1476350590 GHEQSPNDCCPXMM-UHFFFAOYSA-N 447.848 4.995 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(Cl)s1 1504094912 DUCVYROICUYFMF-LBPRGKRZSA-N 436.368 4.966 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507571278 VTVLCBNIKJFHLB-IEBWSBKVSA-N 434.506 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCSC1 1507763198 RDMSOCUPFSMUNQ-JLTOFOAXSA-N 449.393 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCCCN1CCCCC1 1507764839 VQDUABVKDWDIBK-AREMUKBSSA-N 435.616 4.602 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1507838278 ORAPPWXZCZLQHE-OAQYLSRUSA-N 440.979 4.538 30 10 IJEE C=C(Cn1c(COCC)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1)c1ccccc1 1507850054 AJQQLXLDHMMHAG-NRFANRHFSA-N 437.613 4.985 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2cccc(F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507873723 FHFHTSHLJCMVHC-MAEOIBBWSA-N 449.958 4.577 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCO[C@H](C)C1 1507940725 AASGMSLNVHEHCD-QGZVFWFLSA-N 449.393 4.591 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCCN(CC(F)(F)F)CC1 1507940957 AVCUONMJSJUKNM-UHFFFAOYSA-N 444.505 4.534 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1 1508023122 ANZRYSIUEVVQNQ-SFTDATJTSA-N 431.584 4.779 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCSC[C@H]1C 1508151582 YPMQUNLPJUDELK-JKSUJKDBSA-N 434.700 4.992 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1cc(F)ccc1F 1508698856 AVRQZSDBQKGTAC-TZIWHRDSSA-N 443.542 4.653 30 10 IJEE C#CC[C@@H](NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C)c1ccccc1 1519778993 LGVFNXUFTXREBN-HXUWFJFHSA-N 439.437 4.571 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCCC[C@@H]3c3ccc(Cl)cc3)cc2C1=O 1521191696 LIMAFIYUPAFOTJ-DENIHFKCSA-N 436.939 4.968 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1523485566 FVOQPEYWPBLTHV-NBGIEHNGSA-N 442.556 4.672 30 10 IJEE N#Cc1ccc(CSCC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1525055840 GOWMLGVFVIQEBN-IBGZPJMESA-N 448.375 4.728 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2)c1ccc(Cl)cc1F 1528524164 WEOLDRNRSJFXMK-HXUWFJFHSA-N 425.866 4.705 30 10 IJEE C=C(CC)CNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1528920868 XOUJYWGMKSWQRP-UHFFFAOYSA-N 432.446 4.517 30 10 IJEE CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1531957756 DMFBWELOVADHMP-LOSJGSFVSA-N 437.543 4.639 30 10 IJEE CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1534509456 GIPVVJOLNIXMNY-GOSISDBHSA-N 446.473 4.502 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCc1cscn1)c1ccc(Br)cc1 1535483708 QKLRGUTYEDWNDN-SFHVURJKSA-N 427.323 4.589 30 10 IJEE COC(=O)[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cc(C)cc(C)c1 1538040024 BEWLPXDHBWWVNB-QHCPKHFHSA-N 432.451 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1539024533 WCHXXEXGFAOWTN-OFNKIYASSA-N 433.625 4.534 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1539058662 HSVGOVFGVOXGAU-VWLOTQADSA-N 440.588 4.551 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C(C)(C)C)cs1 1539352039 NRBWJCCCEBTTPO-UHFFFAOYSA-N 444.004 4.869 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C)CC1 1539622081 VKOGCVQMPAGPCL-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1539636543 LFIJGIXUYHKGOD-VIZSFHNOSA-N 426.580 4.862 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1539774935 HBCKDNFETXOSSM-SJLPKXTDSA-N 434.943 4.563 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 1539801945 MEMRDKAGBCGAGC-GOSISDBHSA-N 436.000 4.692 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCOC2(CCCCC2)C1 1539819761 IFWZDONRNLSSQM-UHFFFAOYSA-N 449.020 4.871 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1539898791 YRUISOFQOVXZIV-DEOSSOPVSA-N 438.597 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(Nc2cccnn2)CC1 1539910943 QSAHWYUHGBYWFA-UHFFFAOYSA-N 435.551 4.557 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1539921269 UCAURBAFBWZVKZ-MSOLQXFVSA-N 430.543 4.612 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)c1ccccc1 1539949271 WPMCIDHPRZJPCT-JTHBVZDNSA-N 448.615 4.987 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCC[C@H]1CCCCO1 1540137991 XVGSGUPOMWKINY-FGZHOGPDSA-N 442.579 4.853 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC1CCCC1 1540191728 QOJSIWFDVGTAAL-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1543714332 KALXWWSEHSSTAF-OAHLLOKOSA-N 442.478 4.618 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1545619078 AFNMLQUOYAMGFQ-GOSISDBHSA-N 440.592 4.556 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCC1)[C@H]1CC[C@H](C)C1 1555531412 ALQHCYBCFTZLEL-RXVVDRJESA-N 439.629 4.744 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 1557910120 LTWWSTPNPDQONH-DHIUTWEWSA-N 443.632 4.797 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCSC[C@H]3c3cccc(C(F)(F)F)c3)C2=O)cc1 1559761629 CNISEVSZPMISEP-SFTDATJTSA-N 445.510 4.863 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc(Br)c(Cl)c1 1561557874 KPMPEVCJPWQNKD-UHFFFAOYSA-N 446.798 4.647 30 10 IJEE C#CC[C@H]1CCN(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 1563803107 LKMUYMMNJFDIKB-IBGZPJMESA-N 432.955 4.790 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1564428741 FTLZUCDHBPJURD-GOSISDBHSA-N 442.585 4.895 30 10 IJEE C=CCCCCCCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1564884680 UNVBDTCOBMISNW-FQEVSTJZSA-N 437.625 4.618 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1Cc1cccc(OC)c1)c1ccc(Br)cc1 1565000253 VNMPVIHGQIHKSX-PZJWPPBQSA-N 427.342 4.549 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)c1 1565853156 KDJSJRRHXWCQBG-UHFFFAOYSA-N 433.529 4.623 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1ccc(F)c(F)c1 1585436783 XWYRKTRCRHVXEM-LJQANCHMSA-N 432.268 4.960 30 10 IJEE CC(=O)N(C)c1ccc(NC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cn1 1585519953 ATOWLFZHNTYFEU-UHFFFAOYSA-N 437.315 4.606 30 10 IJEE CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1588097983 GVBAEZBKWCRGPC-GOSISDBHSA-N 444.362 4.903 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C(=O)OC 1588127107 HONCOHLETWMWLQ-MRXNPFEDSA-N 434.901 4.637 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC[C@@H](C)C1 1588575011 XEMVSLHFCKABKD-QYZOEREBSA-N 430.980 4.594 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H]1CC=CCC1 1588993000 BQQUDGWHNJBJLG-KRWDZBQOSA-N 432.540 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCC1 1589615215 NHPPMEKMBMHNEB-UHFFFAOYSA-N 432.410 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccnc(Oc2ccccc2F)c1 1589694862 VKZBWDAKPCPISE-OAQYLSRUSA-N 437.519 4.907 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCCN2CCCC[C@H]2C)CC1 1594134112 MAVYPXNWPYAYFH-JOCHJYFZSA-N 437.632 4.840 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1594651372 JNSARICJTWVDOO-UXHICEINSA-N 442.629 4.941 30 10 IJEE C=CCCCn1c(N(C)[C@@H](C)c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594767309 RTQMXSOSHKQVIR-OKZBNKHCSA-N 429.565 4.805 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1594794025 XLMPEODOGAGNDR-VWLOTQADSA-N 426.605 4.742 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1nc2c(s1)CCCC2 1594998006 WLQRURNAWDTZRI-UHFFFAOYSA-N 444.004 4.711 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)Cc1ccccc1)C1CC1 1595038329 UBVPSRXDHAFCPS-SFHVURJKSA-N 436.991 4.669 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CCNc1ncc(Cl)cc1Cl)C1CC1 1595062510 TUBCJMZWCVDPFR-UHFFFAOYSA-N 449.411 4.899 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)C(C)(C)C)C1CC1 1595070977 UBRDIZJLNYSFEN-RBUKOAKNSA-N 447.624 4.566 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC1(OC)CCCCC1 1595156899 RYQFGWIPHXWMBA-IBGZPJMESA-N 430.618 4.776 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 1602981247 PBOISYWGILGFFC-SFHVURJKSA-N 443.341 4.978 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CCOC2CCCCCC2)C1 1611766711 AXKNEZPQVWRADK-XMMPIXPASA-N 425.552 4.954 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)c(F)c1 1616146958 WJHWRQWGQPKYJP-OAHLLOKOSA-N 449.748 4.583 30 10 IJEE C=CCC1(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCOCC1 1624573419 RAXQXODOIUNSQO-UHFFFAOYSA-N 440.534 4.571 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(OCC(N)=O)cc1)c1ccc(C)c(C)c1 1627426306 VQZWXLDMHHJVBF-UHFFFAOYSA-N 444.531 4.579 30 10 IJEE COc1cc(Br)c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1OC 1631108202 BELWWPVTHCFNRW-UHFFFAOYSA-N 430.085 4.897 30 10 IJEE C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1634169238 BQUMBRLOVKGOPA-XYURVEJXSA-N 426.520 4.901 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)CN(C)Cc1ccccc1 1635791604 BWUABRJMQODOEP-QGZVFWFLSA-N 448.380 4.806 30 10 IJEE C=CCN(C(=O)Cc1nc(C2CCCC2)cs1)[C@H](Cc1ccccc1)C(=O)OCC 1638617691 ODXWOEAYTCJNFM-OAQYLSRUSA-N 426.582 4.532 30 10 IJEE C#C[C@H](NC(=O)c1cc(Cl)cc(Br)c1N)c1ccc(Br)cc1 1641521618 QJIVHJUBLXIAGS-AWEZNQCLSA-N 442.538 4.552 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)c1ccc(F)c(F)c1 1645343903 HCQTUFIKCXGPCS-LRTDBIEQSA-N 448.535 4.783 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 1645353697 MUZSROXLBYFVHU-CVDCTZTESA-N 426.582 4.969 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(C3CCCCC3)C2)cc1OCC 1651345978 PMBKQZZHVCTZIQ-SFHVURJKSA-N 437.422 4.909 30 10 IJEE C=CCn1nnnc1SCC(=O)c1cc(C)n(C(c2ccccc2)c2ccccc2)c1C 1651777552 MTEOSZKGXHRDPF-UHFFFAOYSA-N 443.576 4.890 30 10 IJEE C#CCOCCSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 1652345215 CNHWJAJVNKKAFM-GHRIWEEISA-N 432.954 4.537 30 10 IJEE C[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCc2cccnc2)cc1 1653086093 HAQLPJUCODWMGK-QGZVFWFLSA-N 434.927 4.865 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](c2cccc(Br)c2)C1 1653649151 MZUXSWDIZRMOHC-SJLPKXTDSA-N 433.415 4.903 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(Cl)c(Br)cc1C 1653728864 MBGYDERAXLPVJN-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE C=CCC[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(C(F)(F)F)cc1 1653910959 LHBMSGQRJCGGTB-OALUTQOASA-N 428.495 4.938 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 1657596111 GFZRZKVVHCXICO-RTWAWAEBSA-N 429.568 4.695 30 10 IJEE C#C[C@H](NS(=O)(=O)c1oc2ccccc2c1Br)c1ccc(Cl)cc1F 1663279582 LABOLPQMPNILIM-AWEZNQCLSA-N 442.693 4.641 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCc4c3ccc(F)c4Br)cc2n1 1664854181 ODRBDVVGLLCELD-QGZVFWFLSA-N 429.293 4.933 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2Br)c1 1667045908 AEDVUHUWCWXDIU-UHFFFAOYSA-N 426.335 4.826 30 10 IJEE CSc1cccc([C@@H](NS(=O)(=O)c2ccc(C#N)s2)c2cc(F)ccc2F)c1 1667649228 CDOBDKQQSUGEJR-LJQANCHMSA-N 436.530 4.688 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1673380606 CWROBWMPSGDMMK-QFIPXVFZSA-N 438.936 4.636 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)c1ccc(F)c(F)c1 1673669240 AVIWRQNNDFUGJT-SNVBAGLBSA-N 428.333 4.909 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 1674221537 MVPYGBDGVRIDNQ-GOSISDBHSA-N 430.346 4.804 30 10 IJEE C=CCC[C@H](NC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br)c1ccccc1 1680581182 QUZWDKCZQLACFN-SFTDATJTSA-N 447.373 4.840 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 1687270594 ICYSKGLAZAVNNO-UHFFFAOYSA-N 436.394 4.802 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1689895024 HCTAADXGVKXZQO-VXKWHMMOSA-N 442.554 4.735 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCC(F)F 1690158075 WPWWLWBKMCTYNH-UHFFFAOYSA-N 447.580 4.835 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690382571 UFKIOMQVRISRKY-IRLDBZIGSA-N 438.616 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCSC2)CC1 1690399104 NSGVZGQYJWFMLM-MRXNPFEDSA-N 433.419 4.863 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C1 1690430292 HRHAZQIZCJVNSD-RBUKOAKNSA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](CC)N1CCCC1 1690519208 AOXXVKWTPRCSGA-GOSISDBHSA-N 432.410 4.513 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCC[C@H]1CCCCO1 1690561652 XXMWDFLOEBFOMM-DHIUTWEWSA-N 435.572 4.543 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)CN1CCCC1 1690591658 SMHGLOJREOULRZ-UHFFFAOYSA-N 432.616 4.737 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690636149 JBOIEYBRFUIWGQ-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H]1CCCCO1 1690736184 VUILTNZQUKJWPS-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1690743458 ACVKQFZEOARVRU-BDTNDASRSA-N 447.693 4.530 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)on1 1695336571 BXOWYFZFWKWMGZ-UHFFFAOYSA-N 432.553 4.682 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCCc1cccc(C)n1 1705485734 OPVYDDXJEBZMKF-FQEVSTJZSA-N 447.583 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](SC)C(C)(C)C 1705486697 KAKNPVCIMFNMKA-YOEHRIQHSA-N 435.435 4.943 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C1CC(C(C)(C)C)C1 1705556514 RIJAPCINXNLNLZ-UHFFFAOYSA-N 431.378 4.686 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1ccc(OCCCC)c(OC)c1 1705673890 QNIXHRWZRJTYBB-AREMUKBSSA-N 445.567 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC=CO1 1705711939 HJNNEVCNPYGHGS-HXUWFJFHSA-N 426.561 4.836 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2cccc(Cl)c2)CC1 1705770816 VRBDZBVCIYORJL-UHFFFAOYSA-N 429.977 4.523 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705790198 MNTOBFKDOIMORD-OAQYLSRUSA-N 437.632 4.545 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1705797368 VBTDUPXFQVAGHK-ZEQRLZLVSA-N 438.616 4.521 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1705808929 DTLOEFHQQADGRZ-UTKZUKDTSA-N 430.980 4.871 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1 1705876795 KJRQXBMRVINLAU-OALUTQOASA-N 447.649 4.814 30 10 IJEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H](C)c1ccccc1 1708738519 ASQDYPQJTGKNQN-KBMIEXCESA-N 436.604 4.520 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCCc1cccc(C)n1 1711672460 CKEJKZAHYVAJIS-MRXNPFEDSA-N 438.963 4.539 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2cccc(C)c2)nnc1[C@]1(OC(C)C)CCOC1 1722323448 UDTQLFDREZKBRE-BVAGGSTKSA-N 436.600 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)COCC 1722467918 XPYHAUXEHJOIMK-MHECFPHRSA-N 428.552 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1Cc1ccc(Cl)s1 1722498264 UKJLOZLJCDLRPY-OAQYLSRUSA-N 430.936 4.752 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCCCC2)CC1 1722520820 NLCRZHFOZATHTB-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1722527344 GTSFBLDBVQALLG-RBUKOAKNSA-N 447.574 4.546 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1722548396 DQVGXYLVHIJZRP-HNNXBMFYSA-N 432.981 4.840 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722582388 HZMATVMKMRWOMR-LJQANCHMSA-N 426.609 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722586126 TZEKZMMISHVEIE-KGLIPLIRSA-N 439.423 4.579 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@H](C)C1 1722592955 CRYFCVTUSVRKOJ-OTWHNJEPSA-N 447.624 4.566 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1=CCCOC1 1722595806 VPSQLXZCIXTNGO-UHFFFAOYSA-N 448.409 4.575 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722612160 FJBCYTCFMNUDHK-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OCC(C)C)C1 1722612882 MMMMSQIHQNZAGN-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCCc1c[nH]nc1C 1722659767 BWBKTYWAYFHMFD-QFIPXVFZSA-N 438.551 4.516 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCO[C@H]1CCCC[C@@H]1C 1722662677 KNBBHABVEIIVJS-RXVVDRJESA-N 438.601 4.585 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1c(F)cccc1Cl 1722682619 XARUKQNEVPKKKT-UHFFFAOYSA-N 438.732 4.661 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccs1 1723988004 FJRCGYGADFQMLJ-VFNWGFHPSA-N 445.951 4.818 30 10 IJEE CCc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CC#N)CC2)N(C)C)cc1 1727362834 ATSHALVWBQVNHN-HSZRJFAPSA-N 436.648 4.862 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](CC(C)C)C1 1740595557 VGNMDADZQRLMGN-GOSISDBHSA-N 445.405 4.905 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccnc(C(F)(F)F)c1 1740661402 ASAUAVWWDYSQPW-UHFFFAOYSA-N 439.485 4.670 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)N(C)C1CC1 1740665107 PICSYIHQJQDQLG-KRWDZBQOSA-N 437.588 4.755 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1740674473 IMVCACBIWALVJP-GJZUVCINSA-N 438.616 4.962 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCN1CCCC(C)(C)C1 1740677494 LTDIMYPKFFCHHH-FQEVSTJZSA-N 425.596 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CCC)CCc1cccs1 1740758243 VMMKCBINSXYJEE-KNQAVFIVSA-N 437.613 4.842 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1nc2ccccc2s1 1740801704 FQMQQQNOCYHUDR-WBVHZDCISA-N 447.992 4.706 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H](OCC)C(C)C)CC1 1740817437 FAFMFQFVCAZCNB-JOCHJYFZSA-N 439.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(Cl)ccn1 1740849535 LXTSYIZFGWRRKM-UHFFFAOYSA-N 449.990 4.804 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1740865661 ZQYISQDOGGDSAK-UHFFFAOYSA-N 431.584 4.976 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C(CC)CC)N(C)C 1740893963 DJMQPCWUQYHDDP-HNNXBMFYSA-N 440.455 4.758 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1740895244 VVWRRDOFFVNEDZ-UHFFFAOYSA-N 443.592 4.659 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H](O)C1 1740920586 RSDUAYBPQHFZLL-IRLDBZIGSA-N 426.580 4.894 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(F)F 1740932919 ZHOUFZUDFOYDDI-KRWDZBQOSA-N 439.551 4.616 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)CCCC1 1748504874 GAUAKGJHHICGOL-NRFANRHFSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC[C@@H](F)C1 1748679624 GNCLIOISFJGPOR-NLWGTHIKSA-N 432.971 4.848 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cc(C)ccc1OC 1748775788 WADSYOPAFKNFIA-GOSISDBHSA-N 434.609 4.761 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C1CCCCC1)N(C)C 1748914428 DMBFGTFWEZCRIW-NRFANRHFSA-N 445.558 4.517 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](SC)C(C)(C)C 1748914567 LHVDHEZVODUAPH-QGZVFWFLSA-N 435.435 4.945 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1749049279 HQVNGCWNFIADOY-DOIPELPJSA-N 430.662 4.580 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1749091678 DBHQKGLQFLNNAO-AEFFLSMTSA-N 431.378 4.879 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)c1cc(OC)cc(OC)c1 1749131987 WWUJRHIVRRYTHQ-VGOFRKELSA-N 428.577 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1749136963 VHLPDJTVZVKQOJ-YYDVJCTNSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1749141966 NVQCGJJDXDXZKU-IFMALSPDSA-N 439.604 4.611 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(OC)CCCC2)CC1 1749291591 HLERYFJSOSKWQZ-HXUWFJFHSA-N 440.588 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1749358789 QKOVPGXQUCSXLC-GCJKJVERSA-N 432.572 4.934 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(c2ccc(O)cc2)CC1 1749370054 AFRFWWRNPAUZJD-UHFFFAOYSA-N 431.584 4.956 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)CC1 1749370164 DKKGWKKGHVYSRE-UHFFFAOYSA-N 439.604 4.998 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1749465527 FUFLEQUHAUBURM-ZCNNSNEGSA-N 429.584 4.547 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2CCCCCC[C@@H]21)C(C)C 1749557016 FIILUSPHKNXFQV-UARRHKHWSA-N 441.664 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@@](C)(O)c1cccc(Cl)c1 1749585982 IEOZOQJSEZOIMW-HSZRJFAPSA-N 428.964 4.791 30 10 IJEE Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)s1 1751526325 CCSZLGZBVQVLRR-PWHSHALESA-N 427.618 4.745 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 1760131408 ROTDEYRFUFCXPG-NQIIRXRSSA-N 430.980 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCC=C 1760293953 JIAUILYBXKTWCZ-NBGIEHNGSA-N 441.620 4.741 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCN(CCC)C1 1760298093 VRVPDWMHWIXVQV-SQJMNOBHSA-N 437.657 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](c1cccs1)N(C)C 1760298339 CXXPLBGUNPPUAH-PXDATVDWSA-N 449.624 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(OC)nc1OC 1760330646 ADKVZEIGMCOEKD-UHFFFAOYSA-N 445.926 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(SC)CCOCC1 1760332133 VRKHIEGDOSOMDP-UHFFFAOYSA-N 437.613 4.808 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760347089 BVXJVSWULIIDOO-UXHICEINSA-N 446.039 4.747 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cc(C)on2)CC1 1760397372 RRBADZPNHANOOY-MRXNPFEDSA-N 427.936 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1760411176 FWDZSGDIMSTBLU-ZWKOTPCHSA-N 434.588 4.512 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCCN(c2nccs2)CC1 1760427128 PFSCMVLVLHVHOW-UHFFFAOYSA-N 440.592 4.538 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCC2)C1 1760446646 YHTPQQBXOIKZFQ-UHFFFAOYSA-N 437.371 4.604 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@H](c2ccccc2F)C1 1760454400 IAUHVBPFCCSFSE-KOMQPUFPSA-N 444.352 4.926 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](CC)N1CCCC1 1760485997 ZILRGINIVWSIEV-QFIPXVFZSA-N 446.624 4.945 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](c2ccnn2C)C1 1760532588 ZERNKNSFGCCZKG-PMACEKPBSA-N 434.588 4.522 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1CC(F)(F)C1 1760563858 GPLMBYPJCIXLSG-UHFFFAOYSA-N 444.555 4.532 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@H](C)CC#N)c(C)o1 1761649499 GHYSLQKXOAKKRM-OYLFLEFRSA-N 433.512 4.547 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(C)OCCc3sccc32)cc1 1762555287 GLLIQXMTJWLDKZ-XDHUDOTRSA-N 435.597 4.795 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1Cc1ccc(C)s1 1769819101 HVCFLYWTLIARMG-UHFFFAOYSA-N 437.613 4.810 30 10 IJEE CCOc1cc(/C=C2/SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)ccc1O 1772738987 RRQHPTZUEMDZEH-NLUKZUHQSA-N 438.534 4.759 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(C(C)C)cc1 1862139761 DJGOKLJTEADCPN-XAJMEMKASA-N 434.555 4.890 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@H](C)O)cc1 1862385191 JPZIJQRZUPDILI-HXPMCKFVSA-N 434.319 4.515 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)cc1 1862413655 IAXGKZHQZVORNU-QFIPXVFZSA-N 443.490 4.921 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1Br)c1ccccc1Cl 1862439781 ONMGXJWAJPRCBQ-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1Br)c1cccc(Cl)c1 1862452504 DMTBRQMNKFWANC-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862557004 CJRSCPZDBZHZEP-QFIPXVFZSA-N 449.507 4.868 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862572488 HBATZMREVIYFJK-PEBXRYMYSA-N 434.492 4.562 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1862650401 UVPRPIDYHFIULT-QHCPKHFHSA-N 432.495 4.509 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 1862714401 BRTYNNNJJCQYSI-QHCPKHFHSA-N 433.479 4.982 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863460944 LXGBKSYMFNVCKG-UHFFFAOYSA-N 439.490 4.749 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(Cc3ccccc3)n2)cc1 1868220019 SDBVSXOPECPKGJ-DEOSSOPVSA-N 448.530 4.656 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2-c2cc(C)ccc2C)c2ccccc2)cc1 1870142653 SBBXXRVNIYKXBM-KQWNVCNZSA-N 449.514 4.944 30 10 IJEE CCCCCCCOc1cn(CCCn2ccnc2)c(CSc2nccn2C)cc1=O 1870260031 VIWMGERCKJEGDQ-UHFFFAOYSA-N 443.617 4.510 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN(CC)CCO)cc1=O 1870409647 YJKMQTZMADVOMX-UHFFFAOYSA-N 435.008 4.713 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1cccc(C)c1C 1870901254 AEZVJEYNDQXZGH-UHFFFAOYSA-N 446.547 4.810 30 10 IJEE C#CCOc1cn(Cc2cccnc2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871005602 OMEYVDAJAJQZMT-UHFFFAOYSA-N 437.499 4.708 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCN(CC)CC)C3 1871348435 FCXOMXDQGJWYRE-HAHDFKILSA-N 436.552 4.504 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCOc4ccc(C)cc4)ccc3C2=O)cc1 1871405907 LTMMHQSHLJNRHX-IWIPYMOSSA-N 430.456 4.856 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1Cl 1871410137 AGZKBXAKTNMBPN-PJICWNCHSA-N 439.851 4.964 30 10 IJEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871430672 NYMYLQFBQCURQY-MTJSOVHGSA-N 428.419 4.978 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)Nc1ccc(F)c(F)c1 1871440662 AMEWDVFCQMEZKX-NKVSQWTQSA-N 425.362 4.738 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cccs1 1872101572 YWMBWCZUVPMJJK-FQEVSTJZSA-N 445.610 4.850 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872442557 ZWHMAUFXHFLAEJ-CVDCTZTESA-N 428.598 4.924 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 1872766014 BFFBMQXLYKYLFQ-HNNXBMFYSA-N 428.813 4.770 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@H](C)CC)cc2)=C(c2ccc(Cl)cc2)C1=O 1873357463 MLFLAFWAHROFEX-OAHLLOKOSA-N 438.911 4.673 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCc3ccc(O)cc3)ncnc21 1873641186 FVYGZIWNLFUUCC-UHFFFAOYSA-N 427.508 4.750 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1sccc1C 1874211827 WOCSCMVQYLJMKR-ZMPUUUETSA-N 439.610 4.548 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874212858 IPHHPMJSNNPHKP-OEAKJJBVSA-N 444.944 4.636 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874279972 WZHMRYXOLNICDK-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(CC)cc1 1874366787 UJVKHKGWAWHWLS-AFUMVMLFSA-N 441.988 4.661 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(F)cc2)c1 1874437319 VAPFKDRXCCBGIC-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(N(C)C)cc2)c1 1874445844 MMCKWWICMRXWAK-IBUSPFOHSA-N 435.597 4.987 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccc(F)cc1F)Nc1ccccc1 1874452108 DPYXNQCHNMTORZ-DHRITJCHSA-N 441.507 4.827 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)C)c1 1874510557 TWZDLSZYRRVTGE-WYMPLXKRSA-N 437.569 4.645 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(F)cc2F)c(C)c1 1874523163 ZEKIRMAZAFYLNX-OPEKNORGSA-N 441.507 4.664 30 10 IJEE O=C(Oc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2)cc1)c1ccc(F)cc1 1874560741 NBECMBQDHVOHBK-WGOQTCKBSA-N 446.507 4.593 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cccc(Br)c2)cccc1OC 1874575441 NKOTVWZQLDWATK-OUKQBFOZSA-N 446.341 4.601 30 10 IJEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc(OC)c3ccccc23)cccc1OC 1874591833 FBQDOAJMPIEWBM-WYMLVPIESA-N 433.504 4.658 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccccc1OC 1874698410 VJGINIVFVCCTOC-NTUHNPAUSA-N 433.416 4.727 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)c(OC)c2)c1 1875104170 JVRHUYDEGYZAKY-ACCUITESSA-N 448.471 4.836 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1 1875180948 GTPHOVWXKPOJKG-HWKANZROSA-N 443.761 4.929 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1 1875193741 XVODYYFRSLIJGN-GORDUTHDSA-N 438.823 4.767 30 10 IJEE N#CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)CC1 1892355412 FHZGSNPASIGBLG-LJQANCHMSA-N 430.577 4.597 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]2C[C@H]21 1907793668 OOXGHEWYIOYGMT-YZZKKUAISA-N 431.508 4.859 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)C1CCOCC1 1922124035 DOOANYLLWNKXMJ-ZEQRLZLVSA-N 446.632 4.695 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCC1(C)C 1964760268 CBHQIJXZLHYFBI-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE C=C([C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 1976563950 DPFPNECCQAXDGB-GHTZIAJQSA-N 428.495 4.537 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(I)ccc1F 1980669448 WKVRNNDACYGPFU-IBGZPJMESA-N 425.285 4.854 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@](C)(C#N)C1 1984696024 VSFCKHHKRGVJLY-SQHAQQRYSA-N 445.563 4.702 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 2045250617 VRHXFOYZOSQCLI-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE Cc1cccc(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2060634895 FJGXSWPPOLUAHA-UHFFFAOYSA-N 430.354 4.506 30 10 IJEE CC(C)(C)OC(=O)c1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1N 2079164060 ZUXNQDJLNIHIEA-UHFFFAOYSA-N 427.320 4.646 30 10 IJEE COCC[C@]1(Nc2cccc(Br)c2C#N)CCCN(C(=O)OC(C)(C)C)C1 2162311714 ADFIIXIBDMRRFI-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)c(C)c1Br 2221904292 ITOKYWFBTNPFAF-ZDUSSCGKSA-N 431.396 4.555 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235732872 SPDVJJPKZQFKNM-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CC1(C)CC[C@@](N)(C#Cc2ccccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 2235734549 RIMFZYIQEZPKHD-JTSKRJEESA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](O)C#Cc3ccccc3Br)CCC[C@@H]12 2235742059 WOLQRIHBAYBOKM-XQBPLPMBSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2235747737 SGPLNINHMFZMLG-DMUMMCEESA-N 433.390 4.567 30 10 IJEE C#CC[C@H](CC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237432899 PAXLQVDNIIYEKB-APWZRJJASA-N 434.374 4.894 30 10 IJEE CCN[C@H](C#CC1CCCC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2260984835 QFLWGSUBSUSMBR-XMMPIXPASA-N 439.644 4.718 30 10 IJEE C=CCCC1(C(=O)Cc2ccc(F)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266235847 RZHFKTQGERFUQX-UHFFFAOYSA-N 426.326 4.903 30 10 IJEE COc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267513689 XGSVNMVBVXLECZ-IBGZPJMESA-N 437.389 4.681 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2268229203 COQUVSZFKFABLV-HOTGVXAUSA-N 442.365 4.506 30 10 IJEE O[C@H](C#Cc1cccc(Br)c1)c1ccc(I)c(Cl)c1 2278744934 WEEMTOWGFWKZGT-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)c(Br)c2)[C@@H](C(F)(F)F)C1 2281040203 ICALHAZLKJXTRQ-IUODEOHRSA-N 448.283 4.745 30 10 IJEE CCc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3OC)C(=O)c3ccccc32)cc1 2293092043 VEBBDQBONDHECI-UHFFFAOYSA-N 446.528 4.628 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(N)C#Cc1cccc(Br)c1 2296218956 JQSPZHWFCMTXCR-KGVIQGDOSA-N 433.390 4.554 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2296222278 QHOUXMYJDAKJPJ-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)C(=O)C#Cc1cccc(Br)c1 2296224088 GWGXZQFFOGKOMC-HNNXBMFYSA-N 448.279 4.852 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296279147 LUHZUMKSMPYEDW-OSGXGRJZSA-N 434.374 4.635 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1cccc(C)c1I 2296285466 AXJWMAWUFBUTOV-INIZCTEOSA-N 440.122 4.674 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2296291895 SXUYHEJXZKTUHV-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C1(CCNC(=O)OC(C)(C)C)CCCC1 2296306714 LALREPMFEVYBCZ-LJQANCHMSA-N 435.406 4.864 30 10 IJEE C=CCN1C(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S 2297357477 FNPOROPNLFCQDB-UHFFFAOYSA-N 435.530 4.985 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2305402924 KAIDLQCINXETNM-HULNYRCFSA-N 428.573 4.601 30 10 IJEE CCOc1cc(C=C2SC(=Nc3cccc(C)c3)NC2=O)ccc1O[C@H](CC)C(=O)O 2314934631 JAPRFJSDJXNKTK-QGZVFWFLSA-N 440.521 4.527 30 10 IJEE CCN[C@H](C#Cc1ccn(C2CC2)n1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2318159310 MMAJLMGXPJIJDO-QFIPXVFZSA-N 436.600 4.765 30 10 IJEE CCCOc1cccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccc(C)cc2C)c1 2321201852 QDKCYMWZZJJMQE-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 2322038023 GHYJRFSCRHJSKL-UHFFFAOYSA-N 443.499 4.932 30 10 IJEE Cc1c(OC(=O)c2cccnc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2322807909 XDSIXCJXNMVQBF-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)cc1 2323887457 COIOWEPATJWCFS-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 2325719626 BPUZHOWNZKUCOK-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(F)cc1 2326269307 WSCWUZPMUIFKLB-UHFFFAOYSA-N 426.517 4.598 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1cccnc1 2328670261 SWQWBOGBLHTVHE-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1C 2329523114 JBPKYKKDZAZVHW-UHFFFAOYSA-N 441.988 4.750 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1F 2331048551 ZPLMCNKPSWVLHK-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc(N(C)C)cc1 2331165010 KYEJZXGQGQKINT-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1N=Cc1c(OC)ccc2ccccc12 2331352064 AHKFFHJVPSWGGW-UHFFFAOYSA-N 440.569 4.710 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2F)cc1 2331685116 HVMVJLZDTXYRDP-UHFFFAOYSA-N 429.496 4.601 30 10 IJEE CC#CCN(C[C@@H](NCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 2337921106 IRNGVRRXEARTJG-OAHLLOKOSA-N 431.321 4.638 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]21 2339578433 GZEDJITUAOGPKP-DTCDPSDVSA-N 441.381 4.536 30 10 IJEE C#Cc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(OC)c(OC)c2)c1 23359386 KOGOCGKLNOMCIE-UHFFFAOYSA-N 446.528 4.668 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2cccc(OC)c2)cc1 23439500 DJWQGJGCLZDWFN-UHFFFAOYSA-N 445.519 4.539 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 33379777 XMXGNVZGBNEIRW-QFIPXVFZSA-N 429.428 4.813 30 10 IJEE C=CCn1c(=O)c2c(ncn2Cc2ccc(C(C)(C)C)cc2)n(-c2cccc(Cl)c2)c1=O 34693478 TUFCKIPYWMFHRY-UHFFFAOYSA-N 448.954 4.534 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)c3ccc(Cl)cc3Cl)c(C)c(C#N)c2=O)cc1 38624137 IYQPTDCZHVOWNN-UHFFFAOYSA-N 427.287 4.629 30 10 IJEE O=C(Oc1ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc1)c1ccc(O)cc1O 90443502 YTRJABIZMCIRSP-UHFFFAOYSA-N 428.256 4.529 30 10 IJEE O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccnc1)c1c([nH]n(-c3ccccc3)c1=O)N2 98036742 XMWGMWBAHLJWKB-IIBYNOLFSA-N 440.528 4.580 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 102541473 WFAJPTPEMBAGEQ-SADKCHQCSA-N 426.582 4.635 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)N[C@H](C#N)c3ccc(F)cc3F)c2C)cc1Cl 111219091 UMEBTAODUFUMKW-OAQYLSRUSA-N 428.870 4.653 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2OC)cc1C 169940264 MQWBURBPBZXFGH-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)c1 169962573 MCAAGRSIPBWSBI-OAQYLSRUSA-N 435.863 4.843 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2cccnc2)cc1 170009543 DLZVFXFVLHJVRW-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccccc2)c1 170054713 NMLMQINCXXXRQJ-XMMPIXPASA-N 443.499 4.872 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccs1 170154905 HEDKFVNJTBGQQC-HXUWFJFHSA-N 429.538 4.539 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)c1 170203282 GAXPKFNKFJZCQX-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)cc1 170224227 WNJVPCIOTLDDFE-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170234273 DOWYKSWPUKKVCP-NRFANRHFSA-N 432.407 4.512 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2F)cc1 170250886 PEEAPVHJZZMFPS-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1cccnc1 170274809 QSUWZIPSEIYMQJ-XMMPIXPASA-N 442.515 4.956 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1C 170277749 CCZNDFUKXZXJPA-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OC(C)=O)c1 170321008 QYMYUQCNVUXCNS-DEOSSOPVSA-N 447.531 4.869 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C/c3cc4c(cc3C)OCO4)C(=O)N2CC)cc1 254392382 JJLYNWVIJDTCDV-KRCJOYDVSA-N 438.505 4.524 30 10 IJEE O=C(Oc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 254745061 JNFWRDLBTIWGFA-UHFFFAOYSA-N 449.315 4.525 30 10 IJEE CCCc1c(NC(=O)[C@H](C)CC(=O)c2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 440088134 MHJRMUSDHPLANN-QGZVFWFLSA-N 430.508 4.553 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCOC[C@@H](C)C1 460964575 UVWJSBKLPTZPJS-SFHVURJKSA-N 429.524 4.802 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 508845605 OMSJCRFQRHJIGT-UHFFFAOYSA-N 443.395 4.944 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccn2)cc1OC 526514700 CPQLOUPMHHCTTP-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1 558982349 KWSYBXNGPOEIMO-UHFFFAOYSA-N 432.568 4.949 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 567651705 BXHLDSMGIKUTPT-HSZRJFAPSA-N 443.551 4.826 30 10 IJEE COc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4cc(Cl)ccc4C#N)C3)nn2)cc1 585192663 OCUSVBNEDLFCKJ-SFHVURJKSA-N 447.926 4.532 30 10 IJEE Cc1cccc(OCCCC[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 586346969 JLWFUFWLPFBXAT-ZOKDDAQRSA-N 444.622 4.599 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 590645340 SXDLYYRCUVSDHK-GOSISDBHSA-N 437.477 4.735 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C#N 687755317 AAWOKFLEDZLXKP-AREMUKBSSA-N 426.472 4.787 30 10 IJEE C=CCC1([C@H](Cc2ccsc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722938087 PRCXGZUTSRXGFR-HNNXBMFYSA-N 429.424 4.844 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 728182064 TUMOTQGSVJJWPR-HSZRJFAPSA-N 430.529 4.694 30 10 IJEE C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C#N 732586206 GERDPBXIPNRUJL-GKVQRAMASA-N 440.499 4.811 30 10 IJEE CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740063647 CTAALZVAQCKHFD-UHFFFAOYSA-N 443.532 4.667 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n(C2CCCC2)c1C 745228430 HGSNSDLLUGOVGD-PKOBYXMFSA-N 441.478 4.655 30 10 IJEE C[C@@](O)(C1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1)C(F)(F)F 767328205 AGZFPNLPSGBXOV-HXUWFJFHSA-N 437.487 4.522 30 10 IJEE Cc1ccc([C@@](O)(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C(F)(F)F)o1 773399039 CJZUMBQAGJCHBC-FQEVSTJZSA-N 434.439 4.645 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1(Cc2ccccc2Cl)CC1 784279742 BZJUIYPSMDTQTJ-QGZVFWFLSA-N 440.927 4.550 30 10 IJEE CC1(C#N)CCN(C(=O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2CC2)CC1 801948013 LFJMTQHWYXHPHJ-UHFFFAOYSA-N 443.547 4.552 30 10 IJEE CC1(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CCN(c2ccc(Cl)cc2C#N)CC1 804649888 QWJCEBQLASTQCA-HXUWFJFHSA-N 428.363 4.755 30 10 IJEE COc1cccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(C)c2)n1 811724858 UKOJDGCGUVANBG-UHFFFAOYSA-O 437.932 4.535 30 10 IJEE N#C[C@]1(N[C@H](Cc2ccccc2)c2ccccc2)C(=O)Nc2ccc(Br)cc21 1088727139 OHIVEHUFLGDSRY-FYYLOGMGSA-N 432.321 4.694 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3Cc4cc(Br)ccc4O3)cc2)c1 1125753683 HYNATFFAPAMBGZ-QFIPXVFZSA-N 449.304 4.842 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(-c2cccc(C#N)c2)cc1 1127993129 BOWOINWXOAEWRC-IZHWHUGBSA-N 431.442 4.874 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)CCCN1C(=O)OC(C)(C)C 1128406981 GGZURWVTDMQMBA-RUZDIDTESA-N 443.588 4.760 30 10 IJEE C#C[C@H](NC(=O)c1cc(I)cc(C)c1C)c1ccc(Cl)cc1F 1129615557 BJYZEZWTAQKUKG-KRWDZBQOSA-N 441.671 4.805 30 10 IJEE C=CCCOCCCCC(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1131179558 PPHQZZACXZYPGH-NRFANRHFSA-N 432.561 4.697 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1OC 1132661103 INJGTJMCWSWGBV-XFFZJAGNSA-N 426.494 4.539 30 10 IJEE C#CCN(Cc1nc(-c2ccccc2F)no1)[C@@H]1CCOc2ccc(Br)cc21 1167420630 HRMZRIOHNCIFFX-GOSISDBHSA-N 442.288 4.597 30 10 IJEE C/C(=C/c1ccccc1OC(F)F)CNc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1202638699 QAFHKOYLKZQUAD-GSUVTSQJSA-N 449.523 4.616 30 10 IJEE N#C[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)C1 1214118869 CDWUTPGWUYTQFC-ZDUSSCGKSA-N 434.393 4.864 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)cc1Oc1ccc(C)cc1)[C@@H]1CCCO1 1219570777 WQEHXRWXFGYHNV-HKUYNNGSSA-N 429.314 4.852 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c(Cl)c1 1220235248 RPXVPCPVYAJUGL-FQEVSTJZSA-N 433.733 4.599 30 10 IJEE CC(C)C[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccccc1 1220747306 DCIVAIBHHYQFAO-HSZRJFAPSA-N 442.567 4.567 30 10 IJEE C=CCn1cc(CNC(=O)N(C)[C@@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)nn1 1252076567 ICRFIJVJHKQWQS-IBGZPJMESA-N 433.556 4.821 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1261212541 DHYFGBVVUOQXMJ-MJGOQNOKSA-N 445.560 4.622 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](c2ccc(OC)cc2)c2ccc(OC)cc2OC)cc1 1265190873 CUMLKYFBRMNQSE-AREMUKBSSA-N 445.515 4.634 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1nc(C(=O)OCC)c(Br)s1 1280501473 AMVBZEZPSNBRTM-UHFFFAOYSA-N 427.345 4.613 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCC[C@@H]1CC 1286434158 GGBRJXMGYGCKBX-QHCPKHFHSA-N 449.668 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(C)s1 1286550417 IBURFGOGUZAZCQ-IRLDBZIGSA-N 433.581 4.804 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286554090 WUWRXJQBEMRNAM-HRQSHJORSA-N 441.526 4.525 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCC[C@H]1C 1286567901 YDMKBVYJWSXAIM-VGOFRKELSA-N 447.421 4.970 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(C)CCOCC2)CC1 1286637452 FHZBFUSITOEAOK-FQEVSTJZSA-N 440.588 4.790 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1286673154 PIKPLCPLRAIZDV-NRFANRHFSA-N 426.580 4.863 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1286689102 JFNFYWCJNLZRFS-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccco1 1286738750 BSKIXUBTPYMPBO-RUZDIDTESA-N 448.523 4.548 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286746376 WPOYDLBZOBOZTD-GJZUVCINSA-N 438.616 4.788 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1Br 1286754044 PCYATCMSOCMZRE-UHFFFAOYSA-N 440.370 4.867 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1286764254 KDCBLWWMWYWKKG-UHFFFAOYSA-N 443.592 4.677 30 10 IJEE C#CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 1289232692 HJFYHXLOPCEWHP-HXUWFJFHSA-N 445.441 4.955 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(Br)cs1)C1CC1 1295161492 FZKRCSHJYIXHNQ-UHFFFAOYSA-N 428.359 4.678 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C)CCCC1 1296872361 CAZRNDMZHSWTEK-VWLOTQADSA-N 437.588 4.966 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H](C)c1nc(C)cs1 1300643151 PONKUUYFYWFPNA-KRWDZBQOSA-N 446.555 4.688 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1300644128 RUXYNNNPFKDMHR-UHFFFAOYSA-N 447.539 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)CCC 1300815966 DTJIBWLTPXEDAS-FTJBHMTQSA-N 438.616 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1300890187 FWWGJPSMBXANLI-FFHOAYQKSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@H]1CC 1300905776 VSUIUSXZIAOBIM-AZUAARDMSA-N 430.618 4.577 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OCCOCC)CC1 1301119322 FEBNAXJTWKTGPG-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1301127906 XOUBZOVVOZBQQE-IAGOWNOFSA-N 430.543 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1301135069 GAQZVNFFLBHRMG-IBGZPJMESA-N 425.577 4.613 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@H](C)C1 1301221731 NTABYOXJGMKEQA-VQTJNVASSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@@H](C)C1)C1CC1 1301316924 PNRSGVMGLIJLET-SJORKVTESA-N 426.561 4.562 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1nc(C)cs1 1301383247 AHFNLDIGOJFTHY-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1301435912 ZWFXZUVDKQGKRN-LJQANCHMSA-N 445.558 4.825 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2CCC[C@H]21 1301601102 AJGLNHOVIZUXMT-RTBURBONSA-N 428.602 4.649 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1301617506 FNRUCOMHLGNUDF-QGZVFWFLSA-N 446.571 4.535 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1306566625 HSWSAPQWOIXZAJ-FQEVSTJZSA-N 443.599 4.794 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(c3ccccc3)CC2)n(Cc2ccc(F)cc2)c1C 1307411611 ARQOACXXCCLNOT-UHFFFAOYSA-N 444.554 4.982 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)CC1 1307673994 CEIYYWWMFPGGPN-GOSISDBHSA-N 446.313 4.565 30 10 IJEE COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2ccccc2CC#N)cc1OC 1309351144 BMJRJDUOAXHTHM-WIYYLYMNSA-N 442.581 4.539 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 1310196485 QSCVSFQEAVEPOU-SFHVURJKSA-N 447.514 4.708 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N1C[C@H](CCNC(=O)OC(C)(C)C)c2ccccc21 1310513084 BEZRGUUZVDPUFN-KRWDZBQOSA-N 436.512 4.617 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)cc21 1311252584 QVPAIRPHWZKTIU-UHFFFAOYSA-N 443.482 4.935 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](OC)c1ccccc1)c1ccc2c(c1)OCO2 1347910801 YCHKUXMKAPVNKP-VWLOTQADSA-N 431.488 4.901 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(I)c2)cc1OC 1349515151 OUWWQYXLKOSMOH-CSKARUKUSA-N 435.261 4.517 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 1352061948 CDBWDXDLLOZZHD-SYURHXKASA-N 428.548 4.507 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1352962406 YXRXYFAOVUWNSC-QHCPKHFHSA-N 448.563 4.741 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1355497102 NFETVDWLZYJULR-QGZVFWFLSA-N 432.973 4.813 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(Br)cc(OC(C)C)c2)cc(OC)c1OC 1358049234 LXKQHFKJPXYQOT-UHFFFAOYSA-N 448.357 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCc1nc2c(s1)CCCC2 1358876604 NIEZDYHDDXGUMO-HNNXBMFYSA-N 425.989 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)CN1CCCCC1 1358878688 BJSYDNCDUKDESM-DLBZAZTESA-N 434.415 4.832 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@H]1C 1358912831 ZLULZDMXHLYLJA-NJDAHSKKSA-N 443.636 4.821 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(OC(C)C)CC1 1358922543 JDNHHQJCZKVCGP-SFHVURJKSA-N 426.630 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1CCCCO1 1359063710 BKSKZUFOJVPPNJ-OHUGHZGNSA-N 440.563 4.899 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C)C1 1359078434 CAXWFMJCWYIYDK-GFCCVEGCSA-N 427.293 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C2CC2)c1 1359115487 ASPBYQCIALVGFY-UHFFFAOYSA-N 435.597 4.598 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1359153911 XBJIWKWUYPKHJO-AZUAARDMSA-N 434.053 4.774 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cccnc2OCC)CC1 1359160011 JZBBGZWKPJXZPT-SFHVURJKSA-N 437.519 4.556 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCc2ccn(C)n2)CC1 1359176172 ODKRQLRTOWDWAE-UHFFFAOYSA-N 448.615 4.749 30 10 IJEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1359197293 KETXPFOYFJTLFK-QFIPXVFZSA-N 437.588 4.611 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1Cc1cccs1 1359255043 LQIXYMRLBPUGDU-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCC[C@@H](C)C1 1359268251 JREFAQBWUDQMKN-GOSISDBHSA-N 444.421 4.618 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](COCC)C1 1359309898 HBIUWIWSDRWOTE-NRFANRHFSA-N 447.583 4.515 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@@H](CC)C1 1359345864 STHZQOYEWSHPLP-IBGZPJMESA-N 432.659 4.725 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1359889003 HCIUTRKWFHBMMJ-OAQYLSRUSA-N 442.478 4.676 30 10 IJEE COC(=O)[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cc(F)ccc1F 1434959712 AJMDMFOYRWANFJ-OAQYLSRUSA-N 438.455 4.632 30 10 IJEE C=CCN(C(=O)c1cc2sccc2nc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1435901545 SWSGBEMDSALFPW-GOSISDBHSA-N 428.941 4.752 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)Cc1ccc(Br)cc1)c1ccc(Br)cc1 1436652300 YKFFZXMTICHMAX-UGSOOPFHSA-N 435.159 4.881 30 10 IJEE CC#CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C 1447030390 VPNUTDINBWSUCW-UHFFFAOYSA-N 445.375 4.781 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1456451016 SHVIFJPLCJNGLR-OVKKFJMPSA-N 440.337 4.847 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccc(F)cc2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1458996662 JSAZSLYSQWHXBD-NRFANRHFSA-N 438.524 4.752 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2ccc(Cl)cc2Br)c(OC)c1 1459297693 GKOPTYDKIJCBLY-UHFFFAOYSA-N 425.706 4.962 30 10 IJEE CC[C@](C)(O)CN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccccc1 1459958498 FTWAPHYIGHJNAF-CJAUYULYSA-N 439.625 4.736 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1)c1ccc(Cl)cc1 1460787014 HMNCIZKQARMTCW-FIXSFTCYSA-N 438.955 4.529 30 10 IJEE C=CCOc1ccc(CNc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1Cl 1461752709 HQMZPFSCGUZVGM-UHFFFAOYSA-N 434.989 4.938 30 10 IJEE C#CCOc1ccc(CN[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1 1461810820 JNHQZDWPPDXEMB-WNCULLNHSA-N 448.563 4.692 30 10 IJEE C=CCC1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCCCC1 1464323194 SPMUDLHXZBUMLM-UHFFFAOYSA-N 434.378 4.548 30 10 IJEE C[C@]1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC(c2ccccc2)=NO1 1464748094 BRTKDYPPFLFDID-RUZDIDTESA-N 429.451 4.798 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(-c4ccc(C)cc4)c3)n[nH]2)c1C 1466070121 CBRUCHIDQHNBRM-UHFFFAOYSA-N 425.536 4.981 30 10 IJEE C#CC1(NC(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1471525133 HMWHTEXJWYWFBE-IBGZPJMESA-N 430.548 4.614 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 1472616419 SKMNKLZSCLPYEN-GOSISDBHSA-N 441.919 4.599 30 10 IJEE N#Cc1c(NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)nc2c(c1C#N)CCCCCC2 1472811057 HYCROJMFCPMXSR-UHFFFAOYSA-N 431.931 4.577 30 10 IJEE C#C[C@H]1CCCCN1CC(=O)Nc1sc(Cl)c(-c2ccccc2)c1C(=O)OCC 1473867960 BTKOHTBPETYCOU-INIZCTEOSA-N 430.957 4.671 30 10 IJEE N#Cc1cc(NC(=O)NCCc2ccc(Br)s2)ccc1OC(F)(F)F 1476496450 DLLZZEXRDOVILG-UHFFFAOYSA-N 434.237 4.645 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1504046047 BNWBJIXBIWPUCQ-ZWKOTPCHSA-N 429.540 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(C)nc1 1507760868 AFVBMHHTDUDCGB-JOCHJYFZSA-N 426.351 4.996 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)[C@H]1CC 1507798413 TWIMCMCNVIFZQE-RBHHUKDOSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCC[C@H](C)C1 1507818957 YJNXOYBXKGPISH-IBGZPJMESA-N 431.028 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1507912532 POKVVFSOHGXLGK-LJQANCHMSA-N 436.629 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507913312 QYPKXCAEJGNUPI-IBGZPJMESA-N 448.615 4.722 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1507939137 MJARQIZZLJUWED-UHFFFAOYSA-N 440.657 4.912 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1508166868 FMAOFXLQVFVUCF-LJQANCHMSA-N 442.629 4.801 30 10 IJEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(C)C)CC2)ccc1OC(C)C 1517961772 AFUDKRHBDHCILQ-XMMPIXPASA-N 441.551 4.619 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1 1527393909 HBPYYTLVWYLLJC-UHFFFAOYSA-N 440.543 4.955 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 1528518816 HBRFPJBRHDAWOF-PMACEKPBSA-N 436.581 4.930 30 10 IJEE C=CC(C)(C)CC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 1529210526 IBNFBZOZGXOECC-IBGZPJMESA-N 433.321 4.987 30 10 IJEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 1531594037 HEXJMUCMAXKUER-OAQYLSRUSA-N 433.870 4.553 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@]2(C)CC2(C)C)c1 1537158908 WOVMSSSTXCRRQI-HSZRJFAPSA-N 447.000 4.887 30 10 IJEE Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)C(=O)c2cc(C#N)cc(N(C)C)c2)c1 1537703680 GOWUTTBESHSYRJ-UHFFFAOYSA-N 426.520 4.527 30 10 IJEE C=CCn1c(SCC(=O)NC2(C3CC3)CCC2)nnc1-c1ccc(Cl)cc1Cl 1537879568 CNWZFTMTGSVNAO-UHFFFAOYSA-N 437.396 4.979 30 10 IJEE COc1ncc(NC(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)cc1C#N 1538310751 HZOIUHGUQFFXIS-UHFFFAOYSA-N 428.330 4.873 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCc1ccc(Cl)s1 1539253388 RECSSVAYNHUQKC-UHFFFAOYSA-N 431.952 4.524 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1539497010 FTUIYMSNPDIOJN-KDOFPFPSSA-N 449.393 4.592 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCCC 1539622796 YAGUHWQPHWHIMW-MJGOQNOKSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1539744304 HXPCQWBKHMWSDQ-UHFFFAOYSA-N 439.604 4.529 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1539789946 BXZBICKJNVLAII-OAQYLSRUSA-N 428.024 4.954 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)c2ccco2)CC1 1539828392 JOZSZQPAWPBOOV-HXOBKFHXSA-N 442.947 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1539902715 MHOCGBMIQQOUGF-IRXDYDNUSA-N 429.996 4.556 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1540077240 IMRPEGPGSZRURB-QFIPXVFZSA-N 428.024 4.942 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nccc(C(F)F)n1 1540164441 OXOBXGHMCUNUBJ-UHFFFAOYSA-N 449.465 4.554 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 1542166776 QGOUNFZHAHGDBF-HXUWFJFHSA-N 431.552 4.840 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CC2)C1)SC 1545792456 ASNSXHBPHKZNEJ-HXUWFJFHSA-N 439.629 4.887 30 10 IJEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)Nc1cc(C)cc(C)c1 1548414160 AQTKIRQAVZPZKR-XLIONFOSSA-N 431.458 4.531 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 1556907578 VBWGFVMOXYDQHD-DHIUTWEWSA-N 443.632 4.655 30 10 IJEE C=C[C@@H](C)ONC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1557344109 WUJDDTYTNOSGQN-CYBMUJFWSA-N 449.363 4.956 30 10 IJEE C=CCn1c(SC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccccn1 1559383244 OKAZIDCQHMAQBT-KRWDZBQOSA-N 429.590 4.655 30 10 IJEE C#CC[C@H](NCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1 1559702417 QWLCIDRDEIACAE-IZZNHLLZSA-N 432.589 4.759 30 10 IJEE C=C(Br)CN1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1560167853 USMXGMDCZSUELB-IAGOWNOFSA-N 437.378 4.525 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1OC 1560534316 WPUMHXNPZSDGMU-IBGZPJMESA-N 437.367 4.562 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(Br)ccc1OCCC 1561251462 JFYGOPJBVGJFPF-UHFFFAOYSA-N 430.408 4.995 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1ccccc1 1562322357 WDZKEGQFMNRZGE-YRNRMSPPSA-N 431.458 4.815 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 1562441698 LGKQILQKBKBTDV-UHFFFAOYSA-N 429.904 4.979 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@H](C)Oc1cccc(Br)c1 1564207065 SEOPYFHNYGRUPK-KRWDZBQOSA-N 433.346 4.936 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)C1CCOCC1 1565105946 NNKUVXJFPXQJAS-NRFANRHFSA-N 448.897 4.980 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2)c1ccc(Cl)cc1F 1583579213 PAHCWPOZUZGHJI-WVCOCCBZSA-N 427.903 4.795 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 1586903278 LBGVQONHUCZOQQ-UHFFFAOYSA-N 425.529 4.536 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H](C)C1 1587798938 WRGSJPDOYDABGR-AQNXPRMDSA-N 429.609 4.636 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1587830786 BULXWKFBXFZRKU-UHFFFAOYSA-N 438.919 4.730 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOCC)CCC1 1587927053 RCEXZGVPTYCBIN-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccsc1 1589007362 MERAKYISTBPKCY-LJQANCHMSA-N 439.566 4.623 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H](C)CCSC 1589442954 GZHSDZBTZIXFOM-INIZCTEOSA-N 448.434 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCN1C1CC1 1589599584 IOOQVSGMOARRHQ-SIKLNZKXSA-N 441.595 4.977 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2sc(C)nc2C)CC1 1594014341 RKPZXNLDINKSJQ-MRXNPFEDSA-N 427.549 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCCS2)CC1 1594070832 NSZDEWDHMLVKFS-IBGZPJMESA-N 428.602 4.793 30 10 IJEE C=CC[C@@H](Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1C(C)(C)C)c1ccccc1 1594552139 HYHXSBQPXSQCLV-VQTJNVASSA-N 437.613 4.970 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccn2)n1Cc1cccc2c1OCCCO2 1594559019 AXFJSHULHJAQMP-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCC[C@H]1OC 1595275872 RFPGCDDIBBWUAT-VQTJNVASSA-N 444.645 4.729 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)n[nH]2)c1C 1596612516 VOPSZDJIGGICOI-UHFFFAOYSA-N 436.516 4.515 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c(Cl)c1 1611217177 CJYMZHYZIYZOSP-MRXNPFEDSA-N 440.124 4.841 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CC(C)C)C2)n1 1612510594 ANOBDMYRALISAZ-JOCHJYFZSA-N 431.588 4.593 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1615606372 BZKJCRDSACFJPF-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(F)cc1C 1623308956 KTYOOEKDGJQIDS-CQSZACIVSA-N 435.721 4.871 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 1624356538 HAWPCUNZJHRYGN-JOCHJYFZSA-N 431.923 4.799 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1Cl 1625618813 GXUWMTVQRICRSE-UHFFFAOYSA-N 434.308 4.617 30 10 IJEE C=CCCC1(CNC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)CCCC1 1630946291 HRQKJELJXGRPAR-UHFFFAOYSA-N 435.572 4.729 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)nnc1-c1ccc(Cl)cc1 1638604536 BIEHRRDDVPQAIV-GCJKJVERSA-N 442.947 4.630 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc([C@@H]3CCCO3)n2)nc2cc(Cl)ccc2c1=O 1639164338 IXHLOGZSZAFRPC-AWEZNQCLSA-N 435.336 4.682 30 10 IJEE COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2=O)c1 1642684669 BEALQWDRARIEFV-HFJWLAOPSA-N 441.531 4.699 30 10 IJEE COc1cccc(-n2ccnc2S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 1651679015 HJYUXFMSLUXRJW-LJQANCHMSA-N 434.565 4.925 30 10 IJEE C#CCN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCCc2ccccc21 1654898054 QCCODVVBZPNMDN-LJQANCHMSA-N 433.296 4.679 30 10 IJEE Cc1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc(NC(=O)OC(C)(C)C)c1 1656244045 DVFPSMLSCNPCOS-UHFFFAOYSA-N 446.555 4.804 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCN1CC(F)(F)F 1658966376 HUWJCABUODDQFB-IBGZPJMESA-N 446.473 4.594 30 10 IJEE C#CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1)C1CSC1 1659368418 XHOJHXBJQRBRPY-UHFFFAOYSA-N 426.394 4.685 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 1659600163 DAFLCDBTANGLHN-DEOSSOPVSA-N 432.495 4.914 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Br)cc1C 1662476767 WUESQCFJIUDDNJ-OAHLLOKOSA-N 428.779 4.877 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCc2ccc(OC)cc2CC1 1662573335 HUTUXGRZHAHOGJ-UHFFFAOYSA-N 431.330 4.655 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC 1677640788 BLBQUGNRNNWUAT-IRLDBZIGSA-N 444.959 4.805 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](OC)c1ccc(F)cc1 1678067051 ADQLLEBQNQWIKR-IBGZPJMESA-N 439.300 4.813 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)C3CCC(NC(=O)OC(C)(C)C)CC3)cc21 1680802664 YYYJRYINAPZUAQ-UHFFFAOYSA-N 427.549 4.522 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1689919153 DUNQDLBTEZZCIE-OAHLLOKOSA-N 428.993 4.932 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1690331082 QCZILTBECCWWJT-APHBMKBZSA-N 438.801 4.814 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1csc(CC)n1 1690352560 IAZYLVHIAJVMMK-UHFFFAOYSA-N 431.993 4.882 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2csc(CC)n2)CC1 1690364420 QAKFRSSCFJCHFZ-QGZVFWFLSA-N 441.576 4.975 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C(F)(F)F)CC1 1690366257 UWVVXDDNIUZLHS-UHFFFAOYSA-N 432.288 4.781 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2nnc(C)s2)CC1 1690368929 QZHWIOXGBLYTMH-UHFFFAOYSA-N 432.956 4.687 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690420022 IQDXFHZERLORLT-GMAHTHKFSA-N 437.632 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1690435112 RMHFXIAQPWPAIO-UHFFFAOYSA-N 436.579 4.728 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1690471090 UBBAWBFKBJNFAW-LJQANCHMSA-N 429.572 4.504 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1690569007 AXGZSGUSUHIQFQ-JTHBVZDNSA-N 435.547 4.733 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1690587908 BDYZMLRUOITLOZ-GOSISDBHSA-N 448.571 4.585 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1nc(C(C)C)cs1 1690615828 UBMIKRNSXSPASF-UHFFFAOYSA-N 448.596 4.760 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CCCCC2)C1 1690750515 MLOBIGBUTQVJTA-UHFFFAOYSA-N 442.629 4.946 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1ccc(Cl)s1 1705479531 JNZZDZRIPNADGW-OAHLLOKOSA-N 436.972 4.751 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccccc1F 1705521453 BVNUJKJYPKBNIU-KXBFYZLASA-N 444.461 4.881 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CCC#N)CC1CC1 1705528061 SXTGZEXYOCOATC-UHFFFAOYSA-N 426.362 4.560 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1CCC(C(F)(F)F)CC1 1705555998 HUSNXEFGXAOLCK-UHFFFAOYSA-N 434.506 4.912 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC[C@H](OC)C(CC)CC 1705671100 WFNTWNCJWQJCAL-WMZHIEFXSA-N 429.996 4.827 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)CN1CCCCC1 1705677143 CNDVRGAGQGAHNG-AJTFRIOCSA-N 449.643 4.588 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1705685726 HYFFBULYZPTETO-FQEVSTJZSA-N 444.421 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1SC 1705706677 YIVCQLYMNOTTDG-URXFXBBRSA-N 449.624 4.603 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)CC1 1705781594 DBWRGZUTYSNJTH-FQEVSTJZSA-N 443.636 4.985 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(F)(F)CC1 1705826809 KDBHYJDUEJUMPV-MRXNPFEDSA-N 436.572 4.960 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCC1)C1CC1 1705849076 BPNUSFMKNMDOOM-QGZVFWFLSA-N 429.996 4.711 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@H](C)C1 1705862671 RTRCBJMJMHQGDT-SFTDATJTSA-N 448.590 4.792 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccc(Br)o1 1705892237 OFYNNILYXBIAMI-UHFFFAOYSA-N 431.334 4.652 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2cccnc2)C(C)C)C1 1705923533 IIYKBAKNXKLORI-LOSJGSFVSA-N 445.611 4.793 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1(COC)CCC1 1722281081 MAZIVCJHDNAJRZ-QZTJIDSGSA-N 426.630 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCOCCC=C 1722475789 VWFJNLVFKGWMHW-JOCHJYFZSA-N 431.005 4.809 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)C1 1722492516 SYFRHZUIFCNARM-ZVDOUQERSA-N 446.542 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC(C)(C)C1 1722497505 WXYPHBZLBPKRRO-KNQAVFIVSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2C)C1 1722581034 AFJWVQQZRIKGMM-FQEVSTJZSA-N 444.583 4.830 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722612866 LVSYYWLLNBNSFP-OAHLLOKOSA-N 431.371 4.946 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC=C(c2ccccc2)C1 1722629662 VQMKLCPKWFRXOD-UHFFFAOYSA-N 435.597 4.520 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1722633866 GHASUWGXNMFMCP-SIKLNZKXSA-N 437.613 4.721 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1Cc1cc(C)nc(N2CCCC2)c1 1722655695 JBTUGOMEZBDCNI-UHFFFAOYSA-N 430.600 4.946 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)C(C)C 1722667072 UAJCKJLRZLCHKU-DSITVLBTSA-N 449.643 4.649 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1722673413 RBAZUHUNMFDEHT-HJOGWXRNSA-N 438.616 4.816 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1CCCC[C@@H]1C 1740543684 VAFONCKICMINSP-RTWAWAEBSA-N 430.600 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)C(F)(F)F 1740658457 JWGPKLSPYDDCOT-UHFFFAOYSA-N 432.490 4.525 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)C1 1740713875 STZLTLLKSIZYNN-ZDUSSCGKSA-N 427.426 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](C)c1nccs1 1740754412 SGOOEMAKADZUQI-AYBZRNKSSA-N 427.574 4.524 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(c3cccc(C)c3C)CC2)nnc1C(C)(C)C 1740768132 UCVFAUJTJBHZRP-JTHBVZDNSA-N 437.632 4.500 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(CCOC)CCCC2)CC1 1740828931 CZYACBXKWXTWOA-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1740857911 DWHUAMZCPYUFDW-NHCUHLMSSA-N 441.595 4.978 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCC1(C)C)C1CC1 1740906950 OOSBGYOBONGZRN-SFHVURJKSA-N 442.007 4.843 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCCC1(C)C 1740915468 HPZABTVPNFRJAZ-HXUWFJFHSA-N 432.572 4.763 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@@H](C)C1 1740921576 YVYHVGSAQGDJQC-TUNNFDKTSA-N 442.579 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1sc(C)nc1C 1740925342 LYBFXZULHUOVCQ-UHFFFAOYSA-N 447.406 4.530 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCc2sccc2C1 1741004704 JUNJDUFWCIEVBL-UHFFFAOYSA-N 430.574 4.540 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC[C@@H]1CC 1748799544 JEFRVWNWPOQDDN-IBGZPJMESA-N 432.037 4.558 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1748890784 WAHVRDPJUQMYRH-JTHBVZDNSA-N 435.641 4.543 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC(C)CC1 1748908242 WJNXVXNNSZHKEK-GGAORHGYSA-N 437.632 4.615 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H]1CCCN(CC(C)C)C1 1748940163 FBJVKFOCABITDS-QFIPXVFZSA-N 425.596 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1CC(F)(F)Br 1749055933 QNCXMINGXZGPAZ-LJQANCHMSA-N 449.343 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CCC1 1749122434 VWDACPFHKBEETD-LIRRHRJNSA-N 449.368 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1749122547 XLCKLYQADGQCLQ-CIWUYKSXSA-N 433.021 4.910 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCCCCO)CC1 1749312488 KREPBIORPRSDPM-UHFFFAOYSA-N 426.605 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1749364062 LTSHMJZBKNZZSG-KDURUIRLSA-N 448.615 4.760 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1749368563 MESGOZDHYNBIKL-NRFANRHFSA-N 426.580 4.863 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1749403756 JYLUYMYOOYAVMZ-HXUWFJFHSA-N 427.568 4.949 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nnc(CC)s1 1749467140 HOOZGODRBHBZOK-UHFFFAOYSA-N 430.990 4.898 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CC2(CCOCC2)C1 1749473920 SDGUGBJDQYAURF-UHFFFAOYSA-N 445.405 4.845 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cccs1 1749538144 DRZUUGYLZJAKTL-DEOSSOPVSA-N 431.565 4.502 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC[C@@H](OC)C(F)(F)F 1749541234 KAZOUJDINQUCBB-LJQANCHMSA-N 449.452 4.639 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1749646103 KYDRIQDVXPLAKX-QXAKKESOSA-N 429.634 4.786 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC[C@@H](F)C1 1750792001 HDMNDNJYKCUGAQ-IEBWSBKVSA-N 427.524 4.578 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C2CC2)cs1 1760122264 HZYKFGAIGQSJLS-KRWDZBQOSA-N 449.624 4.995 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(C)C)C1 1760130205 HAEVIJDSSWQEOV-IBGZPJMESA-N 440.588 4.647 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 1760141626 BXUDXMIURVSBTH-UHFFFAOYSA-N 437.975 4.962 30 10 IJEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1csc(C(C)(C)C)n1 1760168898 UDNNXYOVTCROPZ-UHFFFAOYSA-N 430.581 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(CC)CCC1 1760211419 GHLJFODLSCLHKB-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760296466 RPJDPKSRYXUNDM-QUURXOELSA-N 441.019 4.966 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)C1 1760319067 QLHAYRULYFRJEQ-CPUCHLNUSA-N 437.407 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCC)CC1 1760320063 RWRHFYKSHAVMAR-VXNXHJTFSA-N 449.599 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1760326406 XCEUMMUXPGEOCT-KKSFZXQISA-N 444.004 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1760338487 LWURVRUHCWEMRY-SFHVURJKSA-N 445.583 4.666 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1760351588 IUUBOCAFLPPQAI-UHFFFAOYSA-N 428.483 4.886 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)c2ncc(C)s2)CC1 1760392897 DUBOJCRSRZANDA-KRWDZBQOSA-N 439.585 4.591 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cc(OC)c(OC)cc3CC2)nnc1C(C)(C)C 1760416177 WJMNMCJLWPUNFN-UHFFFAOYSA-N 426.605 4.800 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760432926 WCIVJJFUGZREHO-UZLBHIALSA-N 445.489 4.924 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)Nc1cccc(Cl)c1C 1760458508 JMYUPNJOCXPWRO-UHFFFAOYSA-N 445.354 4.606 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC(N2CCCCC2)CC1 1760532868 HWDWNPMVJPUSEH-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSc1ccccc1 1760698094 BXKGYHMEOLATEO-MISYRCLQSA-N 427.618 4.585 30 10 IJEE CC(C)(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)CC1 1760797580 CBWDRZNOBKISST-DEOSSOPVSA-N 439.629 4.886 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21)N(C)C 1762158068 FUXQCCDQKLXZJF-QTJGBDASSA-N 434.632 4.952 30 10 IJEE Cc1cc(C)n(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)n1 1762470184 AVUFRWOGTZIUAV-KNQAVFIVSA-N 449.603 4.677 30 10 IJEE CN(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1)c1ccco1 1768470634 GYTHBZLVVFJBGQ-HXUWFJFHSA-N 438.963 4.624 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nccs2)CC1 1772554865 WHPIWQQZHFNCDU-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(NN=C/C=C/c3ccccc3)n2)cc1 1772721417 QUUSYFZZHONUIM-NDFXXKICSA-N 440.594 4.952 30 10 IJEE CCOC(=O)c1sc(NC(=O)Cc2noc3c(Cl)cc(Cl)cc23)c(C#N)c1C 1859643766 WJLIQBZQFAFEEK-UHFFFAOYSA-N 438.292 4.734 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861027288 AUOQHPKGPKQEMQ-KRWDZBQOSA-N 443.997 4.576 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2)cc1C 1862396684 CUMOLPCXOSQFIB-DEOSSOPVSA-N 427.500 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2F)cc1C 1862400362 CBSNJHQWQKXDHY-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862512936 YTEGNUFXGJCZHU-JOCHJYFZSA-N 439.483 4.759 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2)c1 1862590171 CJJZUFWZZQJNSC-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)ccc1O 1862594518 UZYBLNUFFOXUCX-HSZRJFAPSA-N 449.503 4.575 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862617844 KKYUJEVLMZKBSD-VBKZILBWSA-N 427.928 4.597 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862622556 LNCAARUUWGDSQN-JOCHJYFZSA-N 435.520 4.742 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862623292 MCJWJLHXDXVKBT-IBGZPJMESA-N 448.346 4.862 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 1862687805 PXWJDEAEHRJZTF-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1863277266 XQXRXTMNORBPBA-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)c2ccc(CC)cc2)=C(c2ccc(Br)cc2)C1=O 1863559993 HXQVSOBUDUVFTA-OAHLLOKOSA-N 439.353 4.628 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccccc2F)C1=O 1863648262 ULKRIFUACJSYFM-UHFFFAOYSA-N 448.542 4.932 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)c1ccccc1 1868632884 NMSFBRRMKHQZSE-RUZDIDTESA-N 443.547 4.559 30 10 IJEE C#CCOc1cn(Cc2ccco2)c(CSc2ccc(Br)cc2)cc1=O 1870300639 ODOUUNGYCOAAMT-UHFFFAOYSA-N 430.323 4.556 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1CCCOCC 1870338856 PZVSMZAHPOJJRO-UHFFFAOYSA-N 430.976 4.681 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5nc(C)c(C)nc5c4)ccc3C2=O)o1 1871379124 MTWFIJLBFGVENZ-FMCGGJTJSA-N 426.428 4.983 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)c1 1871429249 NJLZUVTYNWANFL-UCQKPKSFSA-N 440.492 4.678 30 10 IJEE Cc1c(OCC(=O)Nc2nc3ccccc3s2)ccc2c1O/C(=C\c1ccco1)C2=O 1871443018 WCGKASZWSRWYAX-WQRHYEAKSA-N 432.457 4.831 30 10 IJEE C=CCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N(CCCC)CCCC)n1 1871470783 VWNNCWOQRIFFSG-UHFFFAOYSA-N 433.398 4.804 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccccc1 1871790038 OOBZKGQBVLTHJM-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871845718 IAPGPMJJASCXHV-JOCHJYFZSA-N 430.570 4.670 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872289908 CERMTWSURKLWJR-GBXCKJPGSA-N 442.625 4.858 30 10 IJEE CCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc(Br)c2)C1=O 1873225808 MHEACFHDCGRAEY-UHFFFAOYSA-N 438.325 4.703 30 10 IJEE O=c1c(Cl)c(N/N=C/c2ccc(O)c(Cl)c2)cnn1-c1ccc(Cl)c(Cl)c1 1873528630 DNBIEUIAHXTMMF-QPJQQBGISA-N 444.105 4.998 30 10 IJEE CCOc1ccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SC)cc1 1874215136 WXNVQTHENVNHSZ-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE Fc1cccc(CSc2nnc(COc3cc(F)ccc3F)n2/N=C/c2ccc[nH]2)c1 1874259953 ALAFMSHIQDSLOG-KBKYJPHKSA-N 443.454 4.777 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc[nH]1 1874271072 CWIXRUKHHYMAKV-VULFUBBASA-N 447.564 4.524 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2/N=C/c2cccn2C)CC1 1874285218 UYEWHIVQCQYVNK-PCLIKHOPSA-N 444.649 4.581 30 10 IJEE Oc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c1 1874380789 LECCVVFDNMJVBG-YZSQISJMSA-N 432.524 4.931 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C)n1/N=C/c1c(Cl)cccc1Cl 1874533123 SGLOJICIKSWTOR-SRZZPIQSSA-N 428.389 4.516 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)cc1OC 1874582604 WPPSXCYMKBIKMM-VQHVLOKHSA-N 449.906 4.640 30 10 IJEE COc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 1875127426 DJDAGNZQKOLMCR-JLHYYAGUSA-N 433.416 4.727 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C(C)(C)C 1875146826 JIXOAFQWOOTXHP-FNORWQNLSA-N 430.884 4.967 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)c1cc(-c2ccc(F)cc2)nc2ccccc12 1891818223 UEBDEFPVIWQXHM-UHFFFAOYSA-N 449.529 4.832 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924833467 VGNLMBRSQJQJLW-HOYKHHGWSA-N 431.577 4.614 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1987482774 NVGLJABSLNLHMX-NNWRFLSQSA-N 432.681 4.734 30 10 IJEE N#Cc1c(F)cc(Br)cc1NCCCCCNC(=O)OCc1ccccc1 1999977866 XZBMOOVZPUKEQP-UHFFFAOYSA-N 434.309 4.968 30 10 IJEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C2(C)CC2)cc1O 2079977897 SEOUFTSNSCJPJJ-AWEZNQCLSA-N 430.224 4.640 30 10 IJEE CSc1ccc([C@H](C(C)C)n2nc(C)c(C=NO)c2I)cc1 2080102117 PDUPAKKVHHXGBS-HNNXBMFYSA-N 429.327 4.572 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 2159128610 UIOKDAIWVUHVDN-UXHICEINSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@H](C#N)c2ccccc2)ccc1Br 2181056164 QIDFJQJZPUEPST-QGZVFWFLSA-N 430.302 4.791 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181137252 ZOUZYYJNPVMABQ-SUMWQHHRSA-N 436.350 4.685 30 10 IJEE CCCc1ccc(C#CC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2231232304 JXPBRWXDEZYVPF-NDEPHWFRSA-N 446.591 4.729 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)[C@H](N)C#Cc1ccccc1Br 2235716194 FCRUSGSHQSPTBT-HUUCEWRRSA-N 449.311 4.610 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(N)C#Cc1ccccc1Br 2235733939 PQUMMFFYDFMVDU-AVRDEDQJSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2235739861 KRBZNBSXCMVGAG-RSPOEFSDSA-N 434.374 4.730 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@@H](N)C#Cc1ccccc1Br 2235746698 KXGVTNIQZXVXJY-WSTZPKSXSA-N 435.406 4.992 30 10 IJEE C=C(c1ccccc1)[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425025 MSEFJPKKVPKOOD-UXHICEINSA-N 431.374 4.926 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)CC(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2247813444 WQKWVIIPBPMRFK-UHFFFAOYSA-N 439.308 4.560 30 10 IJEE C=CCCC1([C@H](O)Cc2ccc(OC)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2280967998 YTKRJHASSKHTNY-GOSISDBHSA-N 440.378 4.564 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)CC#CC1CCCC1 2289923832 DPCPIYBDDIMDIL-VQTJNVASSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)C(=O)C#Cc1cccc(Br)c1 2296231665 GWGXZQFFOGKOMC-OAHLLOKOSA-N 448.279 4.852 30 10 IJEE CCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C#Cc1cccc(Br)c1 2296283911 LSSGYPQAAULOIR-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C12CC(CN1C(=O)OC(C)(C)C)C2 2296288280 FDNGUJQZJRSXLP-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2296288570 IQQXPMVPEPVYPH-RTBURBONSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@H](N)C#Cc2cccc(Br)c2)C12CCC2 2296289349 QODCMLPXOJJBHJ-BHIYHBOVSA-N 433.390 4.602 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296296352 MYOAEXKPJMFAKU-OALUTQOASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@@H](N)C#Cc1ccc(Br)cc1)C1CCCC1 2296302775 NVVHKVDEDOACDD-ICSRJNTNSA-N 435.406 4.849 30 10 IJEE C[C@H](C[C@H](N)C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296304620 JBSSVWOUFPIZEY-YVWKXTFCSA-N 435.406 4.801 30 10 IJEE COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1OC(=O)c1ccccc1 2297303412 JIFSMMBYEDZMGY-UHFFFAOYSA-N 430.485 4.806 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 2305404173 UHXVDHLGNYMYQO-UHFFFAOYSA-N 428.573 4.699 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 2306623710 RJUFAQRLWWYWHD-RPBOFIJWSA-N 428.573 4.699 30 10 IJEE CN=C1SC(=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C(=O)N1C 2313556319 VMBQRJGRCBVVHK-UHFFFAOYSA-N 432.332 4.976 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 2314429249 CAMVDAAGPYVQDY-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=C(COCc1ccccc1)[C@H](N[C@@H]1CCCC[C@@H]1C)[C@@H](O)CCNC(=O)OC(C)(C)C 2319220780 MOBUSUAGPYIPQE-UQAQOTMJSA-N 446.632 4.572 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 2321244972 HNAXQEIDZYHNAS-VQTJNVASSA-N 445.560 4.655 30 10 IJEE Fc1ccc(COc2ccc(C=Nn3c(S)nnc3Cc3ccccc3F)cc2)cc1 2321981688 MHJSJNWZURMRIE-UHFFFAOYSA-N 436.487 4.897 30 10 IJEE CC(C)OCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322006931 LIBOHVCZAZCQIN-UHFFFAOYSA-N 444.325 4.642 30 10 IJEE O=C1C(=Cc2ccccc2F)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 2322099092 ZFLSXIMCMXFIKQ-UHFFFAOYSA-N 431.419 4.523 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2ccccc2Cl)cc(Br)cc1OC 2322437065 VRIUITWKFDWQBM-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Br)c1OCCCO 2323579942 VZCFQMLMNRUPDM-UHFFFAOYSA-N 449.341 4.822 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1 2323686499 GRBHRXKSRBYPET-UHFFFAOYSA-N 446.459 4.907 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccn2)C3=O)c(OCC)c1 2323790057 CKUNLXFZROPPCT-UHFFFAOYSA-N 431.444 4.714 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(OCC)c2)cc1 2323840199 YANJADNLHVQTIY-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325731823 ZVQDYJUAJDKQEZ-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccncc2)c1 2329316929 GHSZFTBBFWWDEA-UHFFFAOYSA-N 429.549 4.873 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)cc1 2329698785 JQNRREQXPGAOOH-UHFFFAOYSA-N 449.001 4.706 30 10 IJEE CCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329727635 LNHBJOHSCOBJST-UHFFFAOYSA-N 428.533 4.798 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccccc1Cl 2329791744 QKSIDDDMZXMULP-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)c1cnccn1 2330792422 DLGRLZBXXNOHME-UHFFFAOYSA-N 438.867 4.653 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCOC)c(OCC)c2)cc1 2331201780 WLMAMIKOMBPFEH-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(O)cc2)c1C 2331366262 GNYDABPIMOMURA-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2)c(C)c1 2331415962 BEDBUEIVCQUTHR-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2331470120 JOLPBNAIZHSASQ-UHFFFAOYSA-N 430.618 4.948 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(SC)nnc2C2CCC2)cc1OC 2331478473 NDUBCFQXDPVELQ-UHFFFAOYSA-N 439.379 4.710 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1c[nH]c2ccccc12 2331638808 QYQVKOXXOSIXGK-UHFFFAOYSA-N 432.553 4.633 30 10 IJEE CCCc1nnc(SCCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2331653431 FJVMSBWOIJVARX-UHFFFAOYSA-N 445.386 4.916 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccc(F)c2)n(-c2cccc(Cl)c2)n1 2331673235 UUXQYXKFNMHPSR-UHFFFAOYSA-N 437.906 4.890 30 10 IJEE CC(C)(C)OC(=O)Nc1ccoc1C(=O)N1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C 2337473973 ADSJMOLWTKLCJG-UHFFFAOYSA-N 446.353 4.809 30 10 IJEE C[C@@H]1C[C@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339575525 XUTZEDKKYFJOOB-FEFOKTNTSA-N 443.397 4.784 30 10 IJEE Cc1ccc(C#N)c(OCc2ccc(I)c(Br)c2)c1 2350074919 KXBZWILNWJKDBO-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362709001 NNVMLTAZJDCLKR-UXHICEINSA-N 435.406 4.667 30 10 IJEE C[C@H](NCc1ccc(I)c(Br)c1)c1ccc(C#N)cc1 2377355560 UNKDJFVAFVDXKM-NSHDSACASA-N 441.110 4.776 30 10 IJEE C=CCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3c(C)cccc3C)n2)SC1=S 12798014 FPBNAIIXLYTFNM-YBEGLDIGSA-N 429.592 4.832 30 10 IJEE COc1cc(OC)c(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1Cl 16609177 FXBVUJFKALSFRK-LVWGJNHUSA-N 427.932 4.514 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 20680786 OKCYGRVVMDSKKJ-DBXWQHBBSA-N 445.382 4.740 30 10 IJEE Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1[N+](=O)[O-] 21254663 MMKGMJMSTWBPTO-UYAOXDASSA-N 434.492 4.695 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(SC)cc2)cc1OC 21256776 BEKXMDZMYDQKBZ-HKUYNNGSSA-N 437.561 4.820 30 10 IJEE Cc1c(C(=O)c2oc3ccc(Cl)cc3c2C)c(O)n(CCc2ccccc2)c(=O)c1C#N 38620198 KWCSHYPKRMENKP-UHFFFAOYSA-N 446.890 4.916 30 10 IJEE C=CCc1ccccc1OCCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 40280154 WHYWXTXIWOSLFJ-UHFFFAOYSA-N 429.495 4.913 30 10 IJEE N#Cc1c(NC(=O)c2cc(Br)c(Br)s2)sc2c1CCC2 40948036 ASGARMVWAFSQMF-UHFFFAOYSA-N 432.162 4.947 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)c1 41285781 MCQFDFVPAMMAHJ-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE C[C@H](Sc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)c1nnc(C2CCC2)o1 59878458 RFJHLFCXAUKCKE-XPAGJJBOSA-N 448.350 4.517 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1nnc(C)s1 101131354 JDJWVBGJIWJMTQ-VVKTXGKCSA-N 441.494 4.639 30 10 IJEE Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCS/C1=N/c1ccccc1C(C)C 105444759 GUMODZWNMXBFIY-SOYKGTTHSA-N 436.581 4.573 30 10 IJEE CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)NC3(C#N)CCCCCC3)[nH]c(=O)c12 105668396 GIHCVQWXBYUEOI-CQSZACIVSA-N 446.642 4.707 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921508 YHUQLGQJKZYJLQ-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 169956774 SUKDXUDKVSMIGT-XMMPIXPASA-N 448.563 4.981 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968193 NNRLRWNJTNQKRQ-FQEVSTJZSA-N 448.500 4.580 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OCC(C)C)cc1 169990320 IPSSLCMIRVPGHS-OAQYLSRUSA-N 443.927 4.600 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2F)c1 170072009 XUVVPNNIOQQHAT-QFIPXVFZSA-N 425.500 4.836 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)s1 170104166 JJDNRBRAHBJNSY-FQEVSTJZSA-N 447.516 4.921 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1C1CCCCC1 170123760 JJQVLCJVBUOFSN-NRFANRHFSA-N 436.464 4.514 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140177 FDHFFWCURBGKMC-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1cccs1 170160420 VBMLNAVQJAPTKU-OAQYLSRUSA-N 435.501 4.862 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccn2)cc1 170171109 KCIHAVDWNGGJPA-QFIPXVFZSA-N 432.451 4.575 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3ccccc3)oc12 170224732 IKCQVLCOOVRHTQ-QFIPXVFZSA-N 441.439 4.930 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(O)c1 170263447 PWHCPRDAEBHPSF-IBGZPJMESA-N 444.325 4.923 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cn(C)c2ccccc12 170269618 BMWKEISYHPKUJI-OAQYLSRUSA-N 438.911 4.829 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(C)o1 170306014 JXPRKOZIDZPRNH-HXUWFJFHSA-N 443.377 4.797 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2sccc2C)ccc1Cl 170313119 NDJGSWFTYNRIEQ-SFHVURJKSA-N 449.956 4.722 30 10 IJEE COc1ccc(OCCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 170415852 CCGUXCHPXPPEAO-QFIPXVFZSA-N 449.528 4.722 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(CC(=O)OC(C)C)cc2)[C@H]1c1cccs1 170476337 ZDSPUIFXJKLWTD-QFIPXVFZSA-N 441.549 4.757 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](CO)c3ccccc3)cc2Cl)c1 429070405 CFGKHHJFLBMFBI-FQEVSTJZSA-N 435.911 4.688 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)[C@@H]2C 439869409 CNPMQLAJNZGSBO-OAHLLOKOSA-N 435.915 4.936 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN3c3ncnc4ccccc34)cc2)c1 442486391 YYSOGKUMINWWKQ-RUZDIDTESA-N 449.514 4.688 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 476162288 UDKMWZTVSJGVFD-SSOJOUAXSA-N 425.573 4.614 30 10 IJEE C=CCN(Cc1nc(O)c2c3c(sc2n1)CCC3)Cc1cc(Br)ccc1F 502188633 SLXXHUFNCISUII-UHFFFAOYSA-N 448.361 4.975 30 10 IJEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc(OC)c1OC 526488938 NEVUGDJKYPNYIU-NRFANRHFSA-N 448.500 4.703 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)cc2OC)cc1 526603880 HRDYEVLKXBRPPC-XMMPIXPASA-N 442.471 4.641 30 10 IJEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(O)cc2)cc1 526822927 OVTMYDBBRSUBAQ-PKAZHMFMSA-N 439.544 4.815 30 10 IJEE C=CCn1c(SCc2nnc(C3CCC3)n2C)nc2sc(-c3ccccc3)cc2c1=O 542103644 VTDQHGVYYGWYQY-UHFFFAOYSA-N 449.605 4.999 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)c1cccc(OC(F)(F)F)c1 586213894 GDYPWENSMKWSFP-UHFFFAOYSA-N 442.459 4.710 30 10 IJEE C#CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586215191 TWNKGQSTTPAOHV-UHFFFAOYSA-N 435.545 4.720 30 10 IJEE CN(Cc1ccccc1)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 619818002 JGPFACLFRYKGDV-SANMLTNESA-N 448.574 4.576 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670197764 DUXHSCSXZAZZGS-CTNGQTDRSA-N 438.551 4.788 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 724090160 CGWAXDHSZQLJCW-IIBYNOLFSA-N 436.557 4.901 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 726506554 IXEBXEONESFNFX-JOCHJYFZSA-N 435.524 4.898 30 10 IJEE N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)CCN1C1CC1 732650894 LKMXGCDQCIJDTH-POLXVDLBSA-N 438.531 4.517 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CCc1ccc(Br)cc1F 735345997 JNUSIRQAQCQRTJ-UHFFFAOYSA-N 426.669 4.820 30 10 IJEE COc1cccc([C@H](C#N)NC(=O)c2csc(-c3cccc4ccccc34)n2)c1OC 778066788 DQUALECUHSNVEK-IBGZPJMESA-N 429.501 4.975 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916211751 PINNAEWBOGNTNF-KRWDZBQOSA-N 433.455 4.852 30 10 IJEE C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)c1ccc(C(F)(F)F)cc1 1128055385 CYJMEPUEBBIFGY-LBPRGKRZSA-N 441.247 4.638 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1 1128300662 GXRRLLYKRWMFHU-UHFFFAOYSA-N 445.306 4.836 30 10 IJEE C#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c(Cl)c1 1134657629 ZCVWCWNIGCYPIU-NRFANRHFSA-N 437.927 4.877 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 1136431859 UMIDPJRJWQQBJW-SIKLNZKXSA-N 441.616 4.678 30 10 IJEE C#C[C@H](NC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1140478409 PZMNOWMGEQAAKX-IBGZPJMESA-N 428.891 4.881 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 1142074055 XMRNHNWPRJIHKF-UHFFFAOYSA-N 430.549 4.658 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](CC)c2ccccc2)CC1 1148142980 WLTBIGINEMIQAH-FGZHOGPDSA-N 429.605 4.532 30 10 IJEE N#Cc1ccc(C2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2)cc1 1176577589 FAODKDFKKJMEDO-UHFFFAOYSA-N 438.531 4.629 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2COc3ccccc3C2)cc1OCC 1199037929 HFYNODMMFNQCLU-QGZVFWFLSA-N 432.358 4.754 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1200402810 OBNPMQQFWPHXLL-DENIHFKCSA-N 441.572 4.732 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nccn1-c1ccccc1 1204763604 IFTRTZUKEKFDIO-UHFFFAOYSA-N 429.293 4.994 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCC3(c4ccc(F)cc4)CCCCC3)CC2)c1 1221451829 AWHDOLSYTKNYKM-UHFFFAOYSA-N 448.586 4.863 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 1221674623 OPVBCBWVUZUGHV-UHFFFAOYSA-N 431.577 4.934 30 10 IJEE C#CCN(C(=O)N[C@@H](CC(C)C)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1222306457 CILQBARCRAUBJS-QFIPXVFZSA-N 427.589 4.818 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 1252449697 UEMOWLQAEOSAPZ-QHCPKHFHSA-N 433.552 4.756 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)CCCN1C(=O)OC(C)(C)C 1264747447 CHBOXXDSEZAWMP-JOCHJYFZSA-N 436.936 4.801 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](c1ccco1)N(C)C 1286518072 AVFJLRQDAKSLNJ-VVZHRXSXSA-N 431.584 4.708 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCCCC1 1286567622 RTBVIHDPQKLYCG-XMSQKQJNSA-N 430.980 4.872 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCCSC)CC1 1286650803 KGZNBRRHZDYENC-KDURUIRLSA-N 449.665 4.739 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C(C)C)C1 1286694111 LFBKJFXIDALVFV-HSZRJFAPSA-N 436.556 4.945 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCO[C@H]1C(C)C 1286721060 YRNFGNBCWHWIBN-KDOFPFPSSA-N 437.357 4.530 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1286733191 TWLKSJCUIRVVQA-HXUWFJFHSA-N 425.577 4.649 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCCCC1 1286740723 VLDQCYVDGIKHTR-UHFFFAOYSA-N 448.615 4.739 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CC1(COC)CCOCC1 1286745940 LBFJSJXYKFXWDH-UHFFFAOYSA-N 426.605 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC[C@H](OC)C(F)(F)F 1286749063 IZJLKCRTFOQGSG-SJORKVTESA-N 444.523 4.741 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2CC[C@H]1C2 1286827474 PJWOBVIVVAQFCM-ZFWWWQNUSA-N 437.382 4.755 30 10 IJEE CCN(CCn1c(-c2ccccc2C)nnc1N1CCC[C@@](C)(C#N)C1)CCC(F)(F)F 1295835478 DOQFYUCCDQCXJQ-QFIPXVFZSA-N 448.537 4.658 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F 1299260444 SBPBODQGQXRKPP-LAUBAEHRSA-N 430.495 4.834 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)cs1 1299519997 GTWWAPSKINQLND-QGZVFWFLSA-N 436.585 4.799 30 10 IJEE CO[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1299714051 DJGFADFLCJRXNR-JOCHJYFZSA-N 439.604 4.665 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)S[C@H](C)C1 1300353718 ZCMWWWHZNIXXJN-IYBDPMFKSA-N 433.419 4.841 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1300742839 BVUDYOBFHNPXDO-RDTXWAMCSA-N 449.393 4.592 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccco1 1300851664 YCIBSYAJUBYJJY-QGZVFWFLSA-N 449.299 4.990 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(c3ccccc3Cl)CC2)nnc1C(C)(C)C 1300896993 MQPVOEUFOAGSRK-RXVVDRJESA-N 444.023 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ccccn1 1300898332 XJSVMIUUPUHHEU-YKSBVNFPSA-N 449.624 4.891 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC2(CCC2)C1 1300981009 QQLLNMQISYJQSE-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1301089001 NSLYHVJXNJLDAR-UHFFFAOYSA-N 449.624 4.617 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C(C)(F)F)cc2)CC1 1301110170 WULBEDMPXHJJPK-KRWDZBQOSA-N 434.531 4.565 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCC[C@@H](C)C2)CC1 1301134303 HZDIJXMHYAGWRG-OAQYLSRUSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1 1301147614 GQHMVYHSMIPRDT-OAHLLOKOSA-N 437.382 4.766 30 10 IJEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC(C)CC1 1301223303 RANUQIIJGDFVBN-SOAGJPPSSA-N 447.624 4.568 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1 1305379924 FUBVJDNPGFJPMM-KRWDZBQOSA-N 436.560 4.651 30 10 IJEE CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(N2CCC(C)CC2)nc1 1305404866 CIYRISJJVXHYHY-FQEVSTJZSA-N 435.620 4.601 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(CCCO)[C@H]2CCCc3ccccc32)ccc1Cl 1307503046 BYVPLCHJDKLDGV-DEOSSOPVSA-N 439.987 4.657 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N[C@H](c3ccc(Br)cc3)C3CCC3)C2=O)cc1 1307623081 HMFJQMABBICPAI-YADHBBJMSA-N 438.369 4.947 30 10 IJEE C#CCN(C)[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC)c1ccccc1 1307740057 CCRUJQCTPBWKIK-JOCHJYFZSA-N 432.545 4.837 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)cc1 1309649437 NVPMUEZTCSSNDI-RXVVDRJESA-N 436.618 4.509 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](CC(=O)OC)c3cccc4ccccc34)cc21 1311252613 RKJNHHBRHXHWIZ-JOCHJYFZSA-N 428.492 4.801 30 10 IJEE C#C[C@H](NC(=O)N(C)CCCOc1ccc(Cl)cc1)c1ccc(Br)cc1 1312936740 KMTLOSSYUPLHKY-IBGZPJMESA-N 435.749 4.887 30 10 IJEE C#CCN(C(=O)NCc1ccc(Br)c(F)c1F)[C@@H]1CCCc2ccccc21 1313110395 NXHMJMPIISIPCM-GOSISDBHSA-N 433.296 4.950 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1cnc3c(c1)c(C1CC1)nn3-c1ccccc1)CCCC2 1321436701 UESJLMIMZOQDLK-UHFFFAOYSA-N 434.503 4.696 30 10 IJEE C=CC[C@@]1(C(=O)N(C)CCCOc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1356273724 VHMIMVKBUIBJIN-QHCPKHFHSA-N 436.980 4.913 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc2cc(Br)ccc2n1CC 1356593424 CYYWZGPHXWRMSA-UHFFFAOYSA-N 430.302 4.644 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1358917166 IRZUNXOUDMQAKX-NHCUHLMSSA-N 425.646 4.601 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1scnc1C 1358922944 XLQDELAPHWCYBB-HNNXBMFYSA-N 425.627 4.946 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1358925516 IGVKLKYXSUKXJT-IBGZPJMESA-N 435.597 4.824 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(F)cc1 1358987867 VNWJTZYGTHMDIA-IBGZPJMESA-N 446.595 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C(CC)CC)N(C)C 1359003395 JHEFKAJHZROEKD-RXVVDRJESA-N 441.689 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CC(O)(CCC)CCC 1359072792 QQDYPYQPFCFHIY-RUZDIDTESA-N 433.600 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCSC(F)(F)F 1359109997 WUDQRMWCSYMKRP-UHFFFAOYSA-N 430.496 4.618 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC(F)F 1359144613 ODJYBPLOHVDVMS-UHFFFAOYSA-N 435.700 4.560 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCN2CCCC2)CC1 1359159723 CPUQMYGXCPKBLP-IBGZPJMESA-N 429.996 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1359161308 YMMBHMVGKMYQMD-QZTJIDSGSA-N 432.515 4.908 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC=C(COC)CC1 1359199186 NVCZCFBBSOAFTM-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1c(C)noc1C)C1CC1 1359253416 FAACSQFREHDKIJ-UHFFFAOYSA-N 435.572 4.963 30 10 IJEE C#CCOc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)c1 1360164353 SYNIZAMDEAEXAO-UHFFFAOYSA-N 428.319 4.989 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCCO1 1360497407 HLAZUZPEWIDMCY-WIYYLYMNSA-N 435.597 4.762 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCCN1C(=O)OC(C)(C)C 1435353417 XDVHNQDMIDSYIC-YCRPNKLZSA-N 441.355 4.889 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)NCC3(c4c(Cl)cccc4Cl)CCC3)n2)c1 1436074248 CQFISWFPXPXNKQ-UHFFFAOYSA-N 425.319 4.902 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2ccc(OCC)cc2)CC1 1440734353 DUUBBWXMUXOELP-UHFFFAOYSA-N 448.485 4.627 30 10 IJEE C=CC1(CC(=O)NC(C)(C)c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1441365987 BSVCELVQPJIWDP-UHFFFAOYSA-N 437.378 4.614 30 10 IJEE C#C[C@H](NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)c1ccc(Cl)cc1F 1449320456 SLGJYDVXUYPOKP-KRWDZBQOSA-N 448.951 4.588 30 10 IJEE C=CCOc1ccc(C(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)cc1OC 1452813670 CBKATQYGOMNMKI-UHFFFAOYSA-N 440.540 4.557 30 10 IJEE C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C(=O)N1c1ccccc1 1456971697 GGCPDGARAHEYRF-IERDGZPVSA-N 445.906 4.928 30 10 IJEE C#CCOCCN(C)[C@H](C(=O)Nc1nc(-c2ccc(CC)cc2)cs1)c1ccccc1 1459891869 DWPSDGVIXRYNMJ-QHCPKHFHSA-N 433.577 4.634 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1460844132 LQDKUUTWIGASHQ-KCWPFWIISA-N 434.580 4.869 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(N2CCNC2=O)c1 1461146154 FYHYYEMHANDSNA-UHFFFAOYSA-N 449.326 4.758 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)CCCN1C(=O)OC(C)(C)C 1462400439 YJPLTCBOYFBTKF-PSVMIJIFSA-N 428.529 4.547 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4cccc(C)c4)c3C(F)(F)F)cc2n1 1462995808 UFIPHUGWLZBJAU-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3cc(F)ccc3OC(F)F)c2)s1 1463129390 BMVAQNNMWYDKOA-UHFFFAOYSA-N 438.452 4.506 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C 1465224342 PGYJWZMJECMWLG-CQSZACIVSA-N 430.467 4.503 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-c2nnc(CC)o2)cc1)c1ccc(Br)cc1 1465748324 IQTAGSOLQOSKEK-KRWDZBQOSA-N 425.286 4.558 30 10 IJEE C=CCOc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)cc1OC 1465965335 GOZBYYTUIDRHBT-XMMPIXPASA-N 431.532 4.944 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)C1 1469919535 ATLDTYKOKALKBL-QAPCUYQASA-N 437.378 4.830 30 10 IJEE C=CCC1(CNC(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)CCCC1 1470148380 XJRFQUZGSKOEOY-SFHVURJKSA-N 434.422 4.974 30 10 IJEE C#C[C@H](NC(=O)N(C[C@@H](O)COc1cccc2ccccc12)C(C)C)c1ccc(F)cc1 1470657620 PDOVPQUUMQFZTN-VWNXMTODSA-N 434.511 4.513 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1471983602 DWAMXFCVQLEZPR-JOCHJYFZSA-N 439.519 4.616 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](Cc1ccc(Cl)cc1)C(=O)OC 1472998799 QALSYNOUULZVJV-IBGZPJMESA-N 443.956 4.573 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12 1476429806 OBQSUVPAWPHVMW-UHFFFAOYSA-N 428.467 4.783 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(OCCN(CC)CC)c1)c1ccc(Br)cc1 1477206531 PRVAKFWMGHSTOI-NRFANRHFSA-N 444.373 4.666 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1477593895 PMYADYVNSGXQGW-DHLKQENFSA-N 449.595 4.989 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 1478906893 MKGBWSJRMBGLJU-GOTSBHOMSA-N 436.552 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCCC[C@@H]1C 1507770682 WMMBHVIESXORIG-WNCULLNHSA-N 449.643 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](CC)N1CCc2ccccc2C1 1507817688 RHWDLQIKWKOWCO-RUZDIDTESA-N 444.627 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCCn1ccc2ccccc21 1507822444 WDRHBWYKEPHDFZ-UHFFFAOYSA-N 431.588 4.587 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCOCC 1507858711 HUZFUJSQRJEZFT-UHFFFAOYSA-N 434.165 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1507916875 VXEWOSIEZIFDKC-GOSISDBHSA-N 428.650 4.878 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 1507930607 YDSJHLXAJUNBGU-DEOSSOPVSA-N 449.643 4.675 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](COC(C)C)C1 1507944029 LPPAMJDMQWRQIR-QGZVFWFLSA-N 439.387 4.848 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCC[C@H](C)C1 1507953626 HRZVHNBVFXBWHK-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1507999236 YPYBHECHHHPJRG-PMACEKPBSA-N 447.583 4.745 30 10 IJEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)CCOC1(C)C 1512573275 CECUJHPNGQLJBV-GOSISDBHSA-N 437.588 4.559 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1513636639 BZDJIRAIDXOOOB-RXVVDRJESA-N 439.604 4.838 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1OC 1523876677 AQDXYSSBDJNULT-OSVJCPFSSA-N 434.580 4.690 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)c2C#N)CC[C@H]1C 1524020257 GCWCKXMWDIXXPS-MNOVXSKESA-N 442.484 4.851 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c(C(=O)OCC)c1C 1524508726 LBQHKXUIAVGMMH-SJORKVTESA-N 445.512 4.847 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1)c1ccc(F)cc1 1525026104 SXAKBARJSGVBBW-HFMPRLQTSA-N 432.520 4.781 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)COc2ccc(Br)c(C)c2)C(F)(F)F)cc1 1525705794 LSZBQCCFSKFBRU-GOSISDBHSA-N 427.216 4.964 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C(=O)OCC)c1C 1525888326 YNVLJINFSDGHLK-QWHCGFSZSA-N 447.475 4.883 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 1526255150 HYHZTZQSDVBJJX-KRWDZBQOSA-N 430.335 4.655 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc(OC)c1OC 1527043093 VVMCOTNOZWKBDD-UHFFFAOYSA-N 445.441 4.567 30 10 IJEE CC(C)CN1N=C(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCC1=O 1528887974 CVRSBWSPZOGJFT-UHFFFAOYSA-N 440.956 4.936 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2nsc3ccc(C)cc23)c(C(=O)OCC)c1C 1532545410 PMCXBTGEEDXNQK-UHFFFAOYSA-N 444.534 4.746 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCCC2CC2)c1 1537668081 PSULNUIURIOODJ-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@H]32)cc1 1537824769 DSBJRWJUMVKWGN-CEMLEFRQSA-N 440.337 4.983 30 10 IJEE N#Cc1cc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)ccc1OC(F)(F)F 1538387118 DMYWVFNOAWGDNK-UHFFFAOYSA-N 447.804 4.821 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(CC)CC1CCC1 1539639547 ABQKYJKFNAGLOE-AUSIDOKSSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N1CCCCCC1 1539659471 YIZPBHHWCYFMNP-UHFFFAOYSA-N 429.996 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC)CC1 1539665666 DGPBOQXIXZTDLS-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1539674083 IFCJRBUDUXLDKW-UHFFFAOYSA-N 445.633 4.732 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C 1539759775 YVTFSPAXGPLJJQ-MRXNPFEDSA-N 439.050 4.758 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2nc(C)c(C)s2)CC1 1539895873 CFUYIDIMMPTBHM-TZIWHRDSSA-N 443.661 4.915 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(O)(CCC)CCC 1540056529 KRIDOHBUGDMRIS-UHFFFAOYSA-N 435.410 4.970 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCOC[C@@H]1C 1540056560 LURCZTBLIHYSJJ-UONOGXRCSA-N 439.785 4.656 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1C)C1CC1 1540116590 XRSPJLZHQXHKQG-NRFANRHFSA-N 437.588 4.862 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCCC1CCCC1 1540132990 CHBFFRKUGQBAOW-UHFFFAOYSA-N 439.579 4.816 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCSC1 1540191632 NXAKKPFVZALCFC-SJORKVTESA-N 432.659 4.523 30 10 IJEE C=CC[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1 1540688222 QMXIYUSSBDPUNA-AZGFIHASSA-N 440.952 4.852 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2cscc2C(F)(F)F)C1 1540890143 AOZMIPVSSSHRMY-MRXNPFEDSA-N 426.508 4.846 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cc(F)ccc2SC)C1 1540894971 IGUOUXQZPFBRLC-HXUWFJFHSA-N 430.593 4.701 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1540919984 KOWVKZLFHGXXGK-SFHVURJKSA-N 436.572 4.875 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1cccc(C)c1 1545025022 CUUMOLLKGLAYSY-ILBGXUMGSA-N 440.503 4.602 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)c1 1561212492 QCSYOTBPSSXUCN-UHFFFAOYSA-N 447.965 4.796 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 1561647004 QHLMRKBXQAXMPS-SFHVURJKSA-N 431.504 4.949 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CCCCC1 1562123271 HRGGJASAXLDXMD-UHFFFAOYSA-N 427.998 4.771 30 10 IJEE Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1562900364 AQAWQCNVXKRUQI-FQEVSTJZSA-N 445.498 4.984 30 10 IJEE Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1562900365 AQAWQCNVXKRUQI-HXUWFJFHSA-N 445.498 4.984 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(CCC)cc1)c1cccs1 1563618308 GUXKHMVCTGAHMX-QFIPXVFZSA-N 426.582 4.777 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 1564162837 AAHLYKHFNNSOPS-UHFFFAOYSA-N 448.514 4.592 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1csc(-c2ccccn2)n1 1584642325 ZLJOFTOYKNRQSJ-UHFFFAOYSA-N 430.327 4.714 30 10 IJEE Cc1nc(-c2cnn(C)c2)sc1C(=O)OCc1ccccc1Oc1ccccc1C#N 1587332901 DMTIIEYRKYTQHE-UHFFFAOYSA-N 430.489 4.873 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1587813015 GUIZTCMMFUFUJR-FGZHOGPDSA-N 444.627 4.685 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 1587963011 HNVVQCXXQRINGV-UHFFFAOYSA-N 444.276 4.816 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H](C)N1CCC(C)CC1 1588473726 SSSMKFRZQVRLEM-RTWAWAEBSA-N 425.596 4.691 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C1CCC1 1589007773 QSZJOKLWFMAORF-UHFFFAOYSA-N 439.810 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCc1nc(C)c(C)s1 1589232956 BTNKVQJPXXBFOZ-RUZDIDTESA-N 433.625 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CC)CCc1ccccc1 1589556972 GFANZGIJRDMNIM-ISKFKSNPSA-N 436.625 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1sccc1C 1589590237 VRDKYULKFADSNN-UHFFFAOYSA-N 444.004 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1589658170 UXORJLGGNAPLJJ-HNNXBMFYSA-N 449.386 4.577 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1594624891 CHLBSEWQRMYLQG-UHFFFAOYSA-N 437.419 4.861 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1594693243 VARWZHVVZIOWEW-MOPGFXCFSA-N 445.405 4.845 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCC(F)(F)CC2)C1 1595689070 RNPGKKJLCUPVMX-FQEVSTJZSA-N 432.515 4.561 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCCS2)C1 1595744101 JWKFSHUMLRCKTP-FGZHOGPDSA-N 426.630 4.520 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](COC)c2cccc(Br)c2)cc1OC 1595856503 HKAOLUWPPZICEA-JARZOMNASA-N 446.341 4.540 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CC[C@H](C)C2)cc1OC 1616351110 FBAJPAFEVZJFRP-XHNVNVPESA-N 437.588 4.919 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 1617865548 XRYDZMRZGCZXJH-FQEVSTJZSA-N 441.535 4.731 30 10 IJEE CCOc1cc(Br)ccc1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1623680182 HAOMWSFSYQGUMO-UHFFFAOYSA-N 444.264 4.688 30 10 IJEE C=CC[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C(=O)OCC 1624931759 IKZBBXGTMVVMQA-LJQANCHMSA-N 440.569 4.595 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 1631453115 YXRGXLIOUHGJOX-MJGOQNOKSA-N 439.581 4.661 30 10 IJEE CC(C)(C)c1csc(C2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)n1 1633657255 BUQPCAVSMWUURV-UHFFFAOYSA-N 438.597 4.827 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1636571166 QSSSLJIPBMDHSO-QZTJIDSGSA-N 429.706 4.883 30 10 IJEE CC[C@H](C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)N(C)C(=O)OC(C)(C)C 1638616301 HMVHMRWAIQXYBQ-RHSMWYFYSA-N 427.467 4.592 30 10 IJEE C=CC1(CC(=O)N(CC)Cc2ccccc2Br)CN(C(=O)OC(C)(C)C)C1 1639401728 XXZAVJCIIHHMMV-UHFFFAOYSA-N 437.378 4.611 30 10 IJEE C=CCn1c(SCC(=O)Nc2sc(CC)cc2C(=O)OCC)nc2ccccc21 1640609456 BTYDSCBGIBIWHL-UHFFFAOYSA-N 429.567 4.754 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1641103819 HIMRVZATWONXSY-OYRHEFFESA-N 440.565 4.518 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 1643284345 AVUCSIYQGGLUFR-KRWDZBQOSA-N 441.981 4.554 30 10 IJEE C=C[C@H](C(=O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 1643310349 GHTCSGBLEZFFSJ-MHZLTWQESA-N 426.560 4.880 30 10 IJEE C#Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c(Cl)c1 1645997883 RQPBMEXSFHLYGB-QFIPXVFZSA-N 433.895 4.852 30 10 IJEE N#Cc1cccc(CN2CCC(NCc3cc(Cl)ccc3OC[C@@H]3CCCO3)CC2)c1 1651276139 CSPRCHPLRFYTKU-DEOSSOPVSA-N 439.987 4.524 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1Cc2cc(OC)ccc2O1 1651648306 NDDFLJUXRLKPGX-LJQANCHMSA-N 443.956 4.801 30 10 IJEE C=CCn1c(SCCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3 1656067565 UFZQHIMBRGUIHU-UHFFFAOYSA-N 427.551 4.766 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccc(Cl)cc1F 1658319977 DKBCFCLSHJXLSQ-JZKQVHKSSA-N 433.886 4.728 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2c(C)cccc2F)c1 1660401004 QKNOBBWFNBBBGQ-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1F 1661725368 CDWRYTZUWGWCBS-SFHVURJKSA-N 438.524 4.528 30 10 IJEE C=CC[C@@H](NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1ccncc1 1662217491 VDTXTBDKUPQWFB-MRXNPFEDSA-N 439.484 4.820 30 10 IJEE COc1c(C)cc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C 1666618680 AAGQAEHPKBURCC-UHFFFAOYSA-N 438.524 4.714 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CCCC1 1667575087 FSPPUALZUMEHMB-QLYXXIJNSA-N 446.617 4.538 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)cc(OC)c1)c1ccc(Br)cc1 1669875533 ACSCYVUGTCOSKI-INIZCTEOSA-N 438.119 4.716 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3Cc4ccccc4[C@@H](C(=O)OC(C)(C)C)C3)cc21 1674679997 XJKHAMLMPBNXMU-NRFANRHFSA-N 432.524 4.695 30 10 IJEE Cc1nc(-c2ccc([C@H](C)NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)cs1 1677176986 AONKTEKGZAJSQM-KRWDZBQOSA-N 431.565 4.583 30 10 IJEE COCCN(Cc1c(C)nn(C)c1C)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1677631505 BDAZKJJMNFPMNY-UHFFFAOYSA-N 449.580 4.740 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(c2ccccc2Br)CCC1 1682855143 DLOVJOYKSPHCEV-UHFFFAOYSA-N 429.333 4.855 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(F)c(C)c2)C1 1685266440 ATCLSBQMFKPHEB-HXUWFJFHSA-N 443.950 4.819 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2cccc3cnccc23)C[C@@H]1C)c1ccc(Cl)cc1F 1686922161 BTHVMSFHZMVOKF-AOMKIAJQSA-N 436.918 4.622 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1csc(C(C)C)n1 1689829309 XENHSAWFUZYYJQ-IRXDYDNUSA-N 441.576 4.838 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CC)CCOCC1 1689838037 RDPBLFBNPWJJPV-KRWDZBQOSA-N 445.405 4.681 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCN(C(C)C)CC1 1689879758 GPAXNCNRFODPLZ-HXUWFJFHSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCCCSC 1690064942 FAQYMSPIUMGHBO-UHFFFAOYSA-N 427.437 4.762 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(CC)Cc1ccc(Cl)s1 1690225622 FSQIJQWQLOFHDQ-UHFFFAOYSA-N 440.798 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1690237794 ASPRBEBLVIYJEW-XLIONFOSSA-N 448.489 4.634 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1690291693 PFPWVZWOPCRISK-HXUWFJFHSA-N 439.585 4.569 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(C)c2C)CC1 1690465776 MNKPLSYNRVZURE-UHFFFAOYSA-N 430.600 4.564 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCSc1nccs1 1690520132 KNRCDMYGEVSQGW-UHFFFAOYSA-N 436.006 4.868 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1Cc1nc(C(C)(C)C)cs1 1690562973 BMOAFALYBMGKNE-UHFFFAOYSA-N 447.612 4.674 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1690652695 XYWRCXZWLNFQGN-KRWDZBQOSA-N 432.037 4.720 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC(F)(F)C2)C1 1690711945 LAAXIALKDZCGSX-WOJBJXKFSA-N 446.542 4.691 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1691005649 DFZFWWUAKOESMS-ZJRDLVKKSA-N 427.568 4.588 30 10 IJEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1692632195 FQSVJZCQIHBDDE-UHFFFAOYSA-N 435.601 4.508 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC2CC2)CC1 1705512103 QFCIIYCRGYIXKJ-UHFFFAOYSA-N 430.955 4.937 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1c(F)cccc1F 1705525829 WDWXBWOJHWSJPR-UHFFFAOYSA-N 448.315 4.754 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCN1CCCC[C@H]1C 1705619893 FQZHEBPPVAUWRU-OAQYLSRUSA-N 439.623 4.910 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1C 1705620450 UCGYMYDSPATJHO-YLJYHZDGSA-N 437.588 4.849 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)F)C1 1705682078 PHAKURCRYCYUHH-CYBMUJFWSA-N 431.712 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C 1705696746 QBHQRPRGEYYBPC-MYJYVVNQSA-N 440.588 4.568 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1)c1ccccc1 1705797650 ZNCQEQOUFWXSAS-QFIPXVFZSA-N 438.616 4.612 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1705848223 HGLWYIHCTXHOOQ-OALUTQOASA-N 426.605 4.980 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N1CCC(C)CC1 1705873924 ZRJQUERSGQJUJP-NRFANRHFSA-N 446.599 4.899 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](CC)C1 1705895566 LGPPWHOIRBXGSN-OAHLLOKOSA-N 444.004 4.742 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCCC2)C1 1705941271 FPQVWHPAORDNGQ-UHFFFAOYSA-N 428.602 4.652 30 10 IJEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CC2(C)C)ccc1OC(C)C 1711649818 IEGSSJJQSJRTRO-CLOONOSVSA-N 437.588 4.917 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1c(C)noc1C 1722346266 VPDSODVVBOPMIB-GOSISDBHSA-N 441.963 4.605 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccc(C)o1 1722452214 NCFOJVXJEWPSQV-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1CC 1722512848 NAJODLFPFMQALP-VQTJNVASSA-N 448.615 4.904 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722518525 REJYOVPZIQJTST-LJQANCHMSA-N 429.515 4.595 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1722525894 JHOOGWUMZXDPOL-RXVVDRJESA-N 442.585 4.748 30 10 IJEE C=C(C)Cn1c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1722553359 PEDGCCDVHUGLQT-OAQYLSRUSA-N 449.643 4.701 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2CCC(OC)CC2)CC1 1722561513 SMNIHWTYOROHKF-UHFFFAOYSA-N 425.533 4.605 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1722574389 LRARFRYPXWNILW-MSOLQXFVSA-N 444.023 4.957 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2C[C@H]2C)CC1 1722575688 RWHYCSINTRGKFB-PBHICJAKSA-N 431.378 4.775 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722597966 VINJDVFRQULCCT-HXUWFJFHSA-N 427.549 4.994 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C2CC2)CCC1 1722632530 XNODPNHZYMKRCN-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCCn1c(C)nc2ccccc21 1722668930 GHGBSVFEWLZHLS-UHFFFAOYSA-N 427.556 4.575 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722669757 LPIVMQHJVGHENW-QGZVFWFLSA-N 429.540 4.518 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](c2ccco2)C1 1722739637 JKZGWDFFEDLGTJ-QGZVFWFLSA-N 428.533 4.502 30 10 IJEE Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)on1 1726439532 HMVITYNCKUKYNZ-INIZCTEOSA-N 440.935 4.546 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)[C@@H]1C 1726626550 CKOXBLLJQBOKFK-LSDHHAIUSA-N 427.961 4.727 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCN(CC(C)C)C1 1740650413 ZMFKKBIFBCIOEN-JOCHJYFZSA-N 443.595 4.522 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)c2nccs2)CC1 1740841074 QJOIUQJMXNEGHD-SFHVURJKSA-N 437.613 4.735 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1740841368 WHTOJIQAIHXWFI-DEOSSOPVSA-N 437.632 4.725 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1740854502 HCYZFOATEFTKSR-PKTZIBPZSA-N 434.588 4.640 30 10 IJEE C=CCCOCCn1c(N(C)Cc2ccc(F)c(C(F)(F)F)c2)nnc1C(C)(C)C 1740888065 IIMYHKFLCKLNIG-UHFFFAOYSA-N 428.474 4.963 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1Cc1cccs1 1740924447 ROMDJBXERHSAAE-UHFFFAOYSA-N 427.624 4.998 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCc2ccccc21 1740924937 GNOJDFGTZDYKPS-GJZUVCINSA-N 436.600 4.617 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1740969316 MVRBJAQUXHUZIT-WOJBJXKFSA-N 437.613 4.997 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1741006471 JQRHZSGPMXAKDN-LEWJYISDSA-N 428.602 4.789 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1744516125 HZUALOXFWDDOQZ-FQEVSTJZSA-N 445.615 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1748640529 WINOOFDXTHQFLX-HSALFYBXSA-N 441.595 4.526 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1c1nncn1C 1748702574 LPVNRZBINDXLMV-GOSISDBHSA-N 444.370 4.525 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)Oc1cccc(C)c1 1748775359 JWEVKYFQRNKWOC-OALUTQOASA-N 434.609 4.977 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1csc(CC)n1 1748937318 GTBFZEFCJVPUNN-UHFFFAOYSA-N 437.613 4.681 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)CCCC 1749022828 HLEDKXOARBLYJJ-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H](C)Cc1ccc(OC)cc1 1749072491 PHFJRYVHUUQVCJ-KBMIEXCESA-N 434.609 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1749136602 PMXNZYIKJFISAN-VWXAATNXSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749161792 FPBWXIFLPVRFNS-CPJSRVTESA-N 427.612 4.921 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1749203954 NJRRYPDOXVJREE-VQTJNVASSA-N 430.980 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(N)=O)CC1 1749357371 OHAUDSGPQCQGOX-UHFFFAOYSA-N 437.632 4.937 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)=O)CC1 1749392063 YRBGKUBDPJQCTA-QGZVFWFLSA-N 445.995 4.533 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1749393093 JXVAQALMMASTLL-QHCPKHFHSA-N 441.938 4.587 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749401360 YWIPIDAUYLJGRD-UHFFFAOYSA-N 426.605 4.845 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749414290 ARMYXKATOWZWIF-OAQYLSRUSA-N 439.604 4.843 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H]1CCCCO1 1749420665 JDHWCWLTHWJWEJ-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1749502531 XFBGLYMZDSQLRE-UHFFFAOYSA-N 445.633 4.758 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccc(C)s1 1749756003 QADWTAWBQCHXHG-FQEVSTJZSA-N 442.610 4.716 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H]1CCCCO1 1760132754 OCVAAPIVGDJTQX-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760246059 JFYUYHNLJCMJRL-WIYYLYMNSA-N 445.007 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS1 1760340439 ZLFFTUXBKMKIBF-MSOLQXFVSA-N 435.638 4.648 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)cc1C)C1CC1 1760475604 NNPYAMZMNRCRHW-DHIUTWEWSA-N 437.632 4.774 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H]2CC[C@H](SCC)C2)cc1 1760531454 PKCVYVOGEAGZLP-BAGYTPMASA-N 442.629 4.853 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2(CCOC)CCCCC2)C1 1760539670 SOEUZWJQRFXUDE-HXUWFJFHSA-N 428.577 4.615 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC=C(C)CC1 1760561082 PWFGOAVHMCFNBU-UHFFFAOYSA-N 425.421 4.845 30 10 IJEE CC(C)(C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccnc(OCc2ccccc2)c1 1760724651 FPSAJPMTRCKJRN-UHFFFAOYSA-N 444.583 4.728 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCSC(C)C 1768993571 DZGMXSNHFSYQBZ-JOCHJYFZSA-N 445.658 4.851 30 10 IJEE Cc1cccc(N=C2S/C(=C3/C(=O)N(C)c4ccccc43)C(=O)N2C2CCCCC2)n1 1772737882 PXFFYIBMKPTYDV-NBUZBCLASA-N 432.549 4.673 30 10 IJEE C=CCNc1nc(-c2ccnc(N3CCN(c4ccccc4F)CC3)c2)cc2cnccc12 1857831983 PHEFTVVWJAJVNH-UHFFFAOYSA-N 440.526 4.755 30 10 IJEE N#Cc1cccc(C(=O)NCCc2nnc(SCc3ccc(Cl)cc3Cl)o2)c1 1858067404 ZOPPHUHWKXPDLK-UHFFFAOYSA-N 433.320 4.513 30 10 IJEE Cc1cc(C(=O)Nc2c(C#N)cnn2-c2ccccc2)c2cccc(Br)c2n1 1859651629 TZWIGGXLFMPPTA-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE Cc1cc(/C=C/C(=O)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1F 1860636667 MMPZPADCTZTHSU-FYWRMAATSA-N 442.534 4.650 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861208691 OAJPIPLFLCDMOC-ISKFKSNPSA-N 447.639 4.799 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862403960 ILFLETPQGIQRBO-NRFANRHFSA-N 438.480 4.680 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2F)c1 1862490804 DRKNDZBGAPAGOJ-JOCHJYFZSA-N 434.442 4.755 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862503622 BJUKGNAVPJZLBC-FQEVSTJZSA-N 425.456 4.601 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(O)cc1 1862523270 DIMIFXOVNFNETD-IBGZPJMESA-N 444.325 4.923 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862561802 UKTJAFOICBJNRT-HSZRJFAPSA-N 441.531 4.740 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862591642 LHSVLPCSAZNMED-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CC)cc1OC 1862622615 GBDGXVPGAXLWCT-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1862649876 IOGYGFGFTFOXDT-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(O)c1 1862652448 ITZYADYBJYXWLZ-NPMXOYFQSA-N 431.488 4.931 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862667487 CICSACTUXONONJ-XMMPIXPASA-N 430.548 4.957 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)cc1 1862713039 GBXCYOLJFQTHDN-XMMPIXPASA-N 429.516 4.889 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863297639 URZWOVMXHDICFB-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCCC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 1866946633 QXQAVTHBIJLPOB-QRWLVFNGSA-N 442.357 4.738 30 10 IJEE CC(C)[C@H](C(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(F)cc1 1866967483 JZWKTSIPXFQATG-BJKOFHAPSA-N 429.495 4.933 30 10 IJEE CC[C@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867013747 QHBAJDDGCYRXCO-OZXSUGGESA-N 433.552 4.764 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868398915 TZRPRZSBMXFKPV-NRFANRHFSA-N 427.556 4.988 30 10 IJEE COc1cccc(-c2nc(Nc3ccccc3C#N)cc(N3CCc4nc[nH]c4[C@@H]3C)n2)c1 1868510783 GILMJLYPJZWYJB-INIZCTEOSA-N 437.507 4.614 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2cccc(C)c2C)cc1=O 1870838634 MPWDVJLQVMBIAI-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@H](O)c3ccc(Cl)cc3)CO4)C2=O)o1 1871353265 OKWJPGMVHSJUAC-ZZAZVPOUSA-N 437.879 4.743 30 10 IJEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871454874 XTCVFTWCMGOCQA-KSEXSDGBSA-N 443.455 4.666 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871457231 VXXKUNRPFFPKLM-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871460243 BUCOWHQEWRPFFU-UCQKPKSFSA-N 428.488 4.695 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871974162 ISDPIEXRCHYJFN-QHCPKHFHSA-N 438.524 4.773 30 10 IJEE N#C[C@@H](C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2c[nH]c3ccccc23)cs1 1872777433 NLJRRWNOIBCRSA-WVRJYTFGSA-N 427.485 4.952 30 10 IJEE CC(C)(C)n1ncc(N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c(Cl)c1=O 1873526522 JVBPZSAWEPBOJE-BRJLIKDPSA-N 428.895 4.816 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCc3ccccc3)ncnc21 1873608934 QDHXRYKWZGUWFR-UHFFFAOYSA-N 427.508 4.880 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NCCCCCO)ncnc21 1873629642 MHTSTGOJEACQDH-UHFFFAOYSA-N 448.354 4.751 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C)c(F)c1)n2Cc1ccco1 1873663336 ZUFQTEZEFLKNBM-UHFFFAOYSA-N 445.498 4.951 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1O 1874230923 JMQJKNAPKFIPEG-FSJBWODESA-N 444.944 4.693 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc(OCC)c1 1874236326 CLQPKVXSTUOXEO-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCCO 1874271903 QEMCUTUSYHOUNS-YZSQISJMSA-N 446.576 4.776 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Br)cc1 1874298460 BKCSPQWOCMOWLG-SRZZPIQSSA-N 431.359 4.841 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(OC)c1OCC 1874380632 BZYRFTWNQSKNQM-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE Cc1ccccc1COc1ccc(/C=N/n2c(SCCO)nnc2-c2ccccc2)cc1 1874429943 KEPAETGRHLBVDI-YZSQISJMSA-N 444.560 4.799 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2)cc1OCc1ccccc1 1874560690 KTDOUJJSDCHEOT-YZSQISJMSA-N 444.560 4.822 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 1874605492 RAVAURGSBQJLSW-XYOKQWHBSA-N 446.459 4.825 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 1874692474 IXEGDCMABZLYEF-VAWYXSNFSA-N 432.388 4.547 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 1874753114 QKLNZHYNTRTSTL-GOSISDBHSA-N 426.944 4.993 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(COc3ccc(C)c(C)c3)nnc2s1 1874768169 ZAYHXNPDWHDTFP-UHFFFAOYSA-N 429.590 4.748 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCOCC1)n2CCC 1875205721 UHQFFDXNGLNXIV-UHFFFAOYSA-N 429.609 4.866 30 10 IJEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCCc3ccc(OC)cc3)ncnc21 1875228454 PGHNFMQBNHELDW-UHFFFAOYSA-N 449.599 4.933 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 1892825949 QNRBYUBDXIYBNH-YKSBVNFPSA-N 429.561 4.963 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(F)cc1Br 1898224651 LCLIYSJHRJDTLA-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE C#Cc1ccccc1C[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952134027 BXGDSXIALDIHHX-MHZLTWQESA-N 425.484 4.592 30 10 IJEE CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1965482270 SHHQPVCQOJDNCQ-AWEZNQCLSA-N 425.176 4.530 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC2(CCC2)C1 1965605295 CQUCOBQZAORLOL-CQSZACIVSA-N 438.341 4.734 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 1986261185 COSNFIWUVGGLFN-ROUUACIJSA-N 430.511 4.829 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 1990165781 JMKOFOOZEOFPJT-SFTDATJTSA-N 434.646 4.869 30 10 IJEE C[C@]1(Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OCc2ccccc2)C1 1999271327 FAKLLKGOFMAMFT-FQEVSTJZSA-N 432.293 4.673 30 10 IJEE N#Cc1ncc(Br)cc1Nc1cc(Cl)ccc1I 2048648355 SURUQKHUAMCZJT-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE CC[C@H](c1ccc(C)c(F)c1)n1nc(C2(C)CC2)c(/C=N/O)c1I 2078980244 ZHJXVVNGHBEJJD-SBUZPKSBSA-N 441.288 4.794 30 10 IJEE CNCc1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079235911 JJNTWYKCDYGIOH-UHFFFAOYSA-N 434.153 4.590 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)cc1F 2080102332 RSKWNSNAYWNWFC-QGZVFWFLSA-N 441.288 4.876 30 10 IJEE Cc1cc(Cn2nc(C3CCOCC3)c(C#N)c2Br)ccc1Br 2080338201 CRJMBCNOPQTRRI-UHFFFAOYSA-N 439.151 4.531 30 10 IJEE Oc1c2c(nc3c(-c4nc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCCCC2 2081550465 VFLMIRYULWVHGH-UHFFFAOYSA-N 434.315 4.943 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(Cl)c1C 2082812017 VHQOQZLPCCOGEI-CQSZACIVSA-N 429.742 4.656 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cc(Br)sc2C)CC1 2095906044 HYUOADALFKAYBG-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c2nsnc12 2137393044 YPFACNIJIKRNMR-KBPBESRZSA-N 441.395 4.574 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2159127716 JGFGTUJHVLYLBY-RTBURBONSA-N 437.422 4.975 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3ccc(Br)cc3Cl)CC2)OC1(C)C 2163721835 UBOOLFQCZURWGH-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3cc(Br)cc(F)c3C#N)C[C@]2(C)C1 2172915097 ZFLXXCLNGIVNSR-KBARZSOFSA-N 438.341 4.907 30 10 IJEE CCCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(Br)cc1C#N 2174814585 JLZRALDYOHCKGH-HNNXBMFYSA-N 437.382 4.579 30 10 IJEE CC1(C)C[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)N(C(=O)OC(C)(C)C)C1 2181107983 NSPIQPNPWHDQCC-CQSZACIVSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC2(CCC2)N(c2cc(Br)c(C#N)cc2F)C1 2193439280 MQEFQAQSGJHPOO-AWEZNQCLSA-N 438.341 4.876 30 10 IJEE Cc1sc(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2226122646 DKIYONGABWRWNH-XIKOKIGWSA-N 426.185 4.517 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1CC1CC1 2233308741 WOOVOGMHUZPJMY-MAUKXSAKSA-N 441.414 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@@H](N)C#Cc2ccccc2Br)C1 2235748748 CHCHBFPUDZMUNH-MJGOQNOKSA-N 435.406 4.801 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2255343671 ZBUNNQQBOCLOAT-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CN(Cc1ccccc1)[C@H]1CCCCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)C1 2255802015 SXTNGZOVNMINBS-NRFANRHFSA-N 426.410 4.516 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2257345273 YJZPGACXPLVNEE-QNFHRHJVSA-N 448.568 4.900 30 10 IJEE C=CCCC1([C@@H](O)c2nc(C(C)C)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2266232006 AGANKJROEIHWBX-AWEZNQCLSA-N 428.371 4.532 30 10 IJEE CN(CCc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1)C(=O)OC(C)(C)C 2267180395 DGXHLMHFHMPQNW-UHFFFAOYSA-N 444.381 4.661 30 10 IJEE CN(CCc1ccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267565540 PIZWSRZMSPZOFC-RTBURBONSA-N 444.381 4.517 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2282105075 FZOPJZDYTRSLJX-MHZLTWQESA-N 449.400 4.506 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296217507 VHDHONWXYRQHBJ-OSGXGRJZSA-N 434.374 4.635 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1(N(C)C(=O)OC(C)(C)C)CCC1 2296220224 VYJGDFJWDOKWPQ-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(O)(C#Cc1cccc(Br)c1)CC2 2296225817 ZEAZJYBFMQZXJC-YTXWROIDSA-N 434.374 4.637 30 10 IJEE CC(C)c1ccc([C@@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 2296256000 IPOKILIXETWYSI-JOCHJYFZSA-N 446.459 4.933 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2296267342 RXXPIHGHJXBXRE-XUVXKRRUSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C1CCC1 2296297932 DXAHYQIOKIQDRX-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2296310278 HUHAGCSPXNFLLG-FFZOFVMBSA-N 435.406 4.672 30 10 IJEE O=C(C=Cc1ccccc1)Oc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2297477400 QMDPZZOPWMEPGZ-UHFFFAOYSA-N 432.392 4.568 30 10 IJEE CCCCN(CCCC)N=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2297672188 OYHHWMRXXIRZLN-UHFFFAOYSA-N 442.472 4.958 30 10 IJEE CCN=C1SC(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C(=O)N1CC 2314532128 GMHDKYGUKACBEW-UHFFFAOYSA-N 432.549 4.860 30 10 IJEE C=C(COCc1ccccc1)[C@H](N[C@@H]1CCCC[C@H]1C)[C@@H](O)CCNC(=O)OC(C)(C)C 2319220778 MOBUSUAGPYIPQE-JFTIXFDTSA-N 446.632 4.572 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)cc1Cl 2320885574 WFFGKNZDAFOLNA-UHFFFAOYSA-N 427.357 4.636 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)c(C)c1 2321199813 HWNMQFWELUPUII-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2322953432 YPHLSLODHAWAFR-UHFFFAOYSA-N 442.471 4.546 30 10 IJEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(C)c(OC)cc1C 2322982275 CUDXROIRJOZOSZ-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2323486898 OCKDFBLEERWPPP-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE CCCCCCOc1ccccc1C(=O)C=Nn1c(S)nnc1Cc1cccs1 2323557036 SWWXYYLFLOFUMV-UHFFFAOYSA-N 428.583 4.895 30 10 IJEE CC(C)c1ccc(C=CC(=O)NC2CCC(OS(=O)(=O)c3cccs3)CC2)cc1 2325883668 NRBUKPZMMYZQSJ-UHFFFAOYSA-N 433.595 4.718 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(OC)c1 2325952267 PYQKSNQNEOSAGB-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cccc(C(F)(F)F)c1 2326752424 INYXTDSAALYPDC-UHFFFAOYSA-N 448.470 4.820 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(C(=O)O)cc1 2327288799 JIKHYVMACRJKPR-UHFFFAOYSA-N 436.537 4.641 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccccc1[N+](=O)[O-] 2328557042 RTZAQOWFRXMKRJ-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2-c2cccs2)cc1 2330603982 ZMUWZJNSBOOHEY-UHFFFAOYSA-N 428.583 4.743 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)Cc1ccccc1 2331018605 VITJQZGQCWXJBP-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2331563383 LSCSNPQRYRVNPI-UHFFFAOYSA-N 444.532 4.534 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)[C@@H]1CCCO1 2331870049 WWPSEWVTHMBGAM-DEOSSOPVSA-N 432.472 4.838 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588583 KUDIKBMDZLKMQM-JKIKYLSZSA-N 443.397 4.928 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3cccc(Br)c3Cl)C2)OC1(C)C 2342472855 VPODTSHDLVNWEH-GOSISDBHSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)CC[C@H]1C2 2343620535 ACOWNDSIWNAASJ-MHECFPHRSA-N 441.381 4.680 30 10 IJEE CC1(C)OB(c2cc(NC(=O)CCOCc3ccccc3)ccc2C(F)(F)F)OC1(C)C 2344035013 ZQDAVFRHSQKXIR-UHFFFAOYSA-N 449.278 4.550 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362706637 BHAGPGMDVQCAEX-PMACEKPBSA-N 435.406 4.667 30 10 IJEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)cc1 3041577 XMNCIRYFCFKFKQ-QLYXXIJNSA-N 434.952 4.886 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)n(Cc2ccco2)c1C 9051883 XBQNTXWMAAJBIJ-HSZRJFAPSA-N 434.565 4.627 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O)c(OCC)c2)cc1 20881497 QGRVMZDXZRAEHS-UYAOXDASSA-N 435.520 4.584 30 10 IJEE C=CCOc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1I 27520927 HHEANDJQLDDJSC-UHFFFAOYSA-N 432.257 4.862 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1C 33553496 WTJACHPELAFDKA-MYKKPKGFSA-N 443.455 4.666 30 10 IJEE CCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccc3c(c2)Nc2ccccc2S3)cc1 34846916 GLKVQUHWJWHUBQ-IWIPYMOSSA-N 439.562 4.996 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccccc1F 35444804 JRWLQRSZBBJCTF-ISHSZONUSA-N 436.527 4.536 30 10 IJEE COc1ccc(C(=O)O/N=C(\c2ccc(OC)cc2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 38194984 JZUFUKPTMPEVPI-LYBVQYQHSA-N 445.471 4.797 30 10 IJEE Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41513164 HBYMQWBZAXTMKR-JLPGSUDCSA-N 427.500 4.816 30 10 IJEE Cc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc([N+](=O)[O-])c2)C4=O)cc1 41655251 PYMVGFXXHFVDKO-FMCGGJTJSA-N 428.444 4.872 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCCC)cc2)S/C1=N\c1ccccc1F 59108712 OZIIZGGJKCBWAY-HZYJKNPPSA-N 441.528 4.761 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169922130 ZSYKEPPLIGRUHW-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(OC)c2)cc1 169934891 SSKPGGYVAULPHS-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2OC)cc1 169939707 IAAHIZYRNNQWDB-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc3ccccc23)cc1 170046429 ZGOOCJMVYYWSEJ-XMMPIXPASA-N 428.532 4.542 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccco2)c1 170090000 PTRVCIMSEJMCAH-IBGZPJMESA-N 438.505 4.925 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(C)o2)cc1 170099990 ZDEMTLFFNKXPGR-HSZRJFAPSA-N 446.503 4.836 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C)o2)cc1 170100365 PBDATDVJRCUVEM-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccs2)c1 170158288 WQIGPWLPUMJIQQ-QFIPXVFZSA-N 447.512 4.919 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccccn1 170181276 YCVNQOMXDRMNPS-LJQANCHMSA-N 428.916 4.821 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)cc1Cl 170204415 OAYMVCQZRLLWRJ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1OC 170223382 NYKKZPIZHPYHLK-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1C(C)(C)C 170229790 MLKJGSWMEVYVRL-AUSIDOKSSA-N 449.547 4.750 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccccc1 170233464 KHEPUTWDXDMXOL-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(C(C)C)cc1 170244371 SKYATAVKNHPMSD-HSZRJFAPSA-N 437.536 4.822 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccco1 170285716 INWFSXJTVTUFOQ-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCCO3)cc1 170390724 MBEKPWMYSKLXBN-JOCHJYFZSA-N 447.512 4.865 30 10 IJEE CCCN1C(=O)/C(=C\c2ccc(OCC#N)c(OC)c2)SC1=Nc1ccc(OC)cc1 252598404 CZWNWRCSTATLPF-PYYWQZPNSA-N 437.521 4.620 30 10 IJEE NC(=O)Cn1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc21 252605617 GKRYDDVKKYVKLO-NDMCFCFYSA-N 444.560 4.673 30 10 IJEE N#Cc1ccc(NC(=O)Nc2ccc(I)c(Br)c2)cc1 312870231 ZACMHFGUDQNHQT-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE C=CCn1nnc(COc2ccc(Br)cc2)c1SCC(=O)c1ccccc1 334162985 SZEKFILKZGLFAG-UHFFFAOYSA-N 444.354 4.781 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(OC)c(Br)c1)NCC 407059293 IGUDCFSTUCBHMG-ZWKOTPCHSA-N 441.410 4.838 30 10 IJEE COc1ccccc1-c1ccc(CN(C(C)C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 462493506 UEPQNXWEXITDKK-UHFFFAOYSA-N 438.524 4.972 30 10 IJEE C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1Cl 504070384 KSROOXMWWSGFOL-WNSKOXEYSA-N 447.963 4.555 30 10 IJEE CCCCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 504271138 MNUBULQALPTXLU-IZQHOFJTSA-N 430.585 4.552 30 10 IJEE C=C(C)Cn1c(SCc2nc(-c3cccnc3OC(C)C)no2)nnc1-c1ccco1 508643965 RZBFWLPLYHZWPK-UHFFFAOYSA-N 438.513 4.639 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 520167800 AGODPCWCGWDHON-UHFFFAOYSA-N 441.247 4.892 30 10 IJEE CCOCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C)(C#N)CC1 549758638 LUWBNQQQXDVRTJ-UHFFFAOYSA-N 427.618 4.832 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 604487952 VCQCWHFZSVRUCJ-LJQANCHMSA-N 426.314 4.542 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(Cc4cscn4)CC3)cc2)cc1 608995645 DXEDMOISEKRVON-UHFFFAOYSA-N 433.537 4.547 30 10 IJEE C[C@@H]1Cc2ccccc2N1C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 611266458 UBDUDZPLFORXAW-OAQYLSRUSA-N 425.580 4.879 30 10 IJEE N#Cc1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1 687733696 GJLUSBUQXXRKSH-QHCPKHFHSA-N 430.435 4.752 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 730871088 BMCGOOHPNHHWTN-TZYHBYERSA-N 442.515 4.830 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 733770007 AXVQUBZEGRGHKD-LJQANCHMSA-N 434.565 4.510 30 10 IJEE C[C@@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1CCc2sccc2C1 740029409 FCAZMXKONDLFEW-INIZCTEOSA-N 436.606 4.594 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 745111825 PTWZXBTXYIDVMZ-UHFFFAOYSA-N 448.228 4.855 30 10 IJEE N#CCCn1ncc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c1-c1ccccc1 758113826 LEATWHAGKJPKDA-UHFFFAOYSA-N 436.519 4.916 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CSc2ccccc2)cc1 787054780 XILKYHUHZZFKNR-JOCHJYFZSA-N 445.500 4.526 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CCCN1C(=O)OC(C)(C)C 790375059 MBUJTOGTOXKXJI-HSZRJFAPSA-N 447.963 4.517 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCc2cccs2)c1 1124425925 LSDXGKZTAVUKTR-UHFFFAOYSA-N 446.981 4.713 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc3sc(CC)cc23)cc1 1125087422 MEUDOXORDUKNCM-UHFFFAOYSA-N 434.608 4.513 30 10 IJEE COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1ccc(COc2ccccc2C#N)o1 1129215597 CMLMWYLRBSVAFH-JOCHJYFZSA-N 431.444 4.751 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(Br)cc1 1129609228 QDKOTDYCXGVTLH-SFHVURJKSA-N 429.314 4.745 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)c(CC)s1)c1ccc(Br)cc1 1129730915 NJSVTYPPNMULIG-CYBMUJFWSA-N 427.161 4.940 30 10 IJEE CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1 1133412233 HYGGFCZAPRDAHM-NRFANRHFSA-N 438.959 4.595 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc1OC 1136228089 BWZWVTRQJFMDTL-AXDNMFEOSA-N 434.580 4.964 30 10 IJEE COc1ccc(C2(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)CCCC2)cc1 1156560618 HIPUAMNENOJSIN-QHCPKHFHSA-N 437.971 4.569 30 10 IJEE C#Cc1ccc(NC(=O)c2c[nH]c3c(Cl)cc(Br)cc3c2=O)c(Cl)c1 1179654990 BDKRZGMJGWTOGB-UHFFFAOYSA-N 436.092 4.831 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 1184577527 KOZOZIXAHHVSCF-UHFFFAOYSA-N 441.745 4.993 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC(C)(C)CC)C(C)C)nc2sc3c(c2c1=O)CCCC3 1188253246 WKBWORLMSWWLCK-SFHVURJKSA-N 447.670 4.944 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CO)c1cccc(Cl)c1Cl 1196284708 DDUHNBBQGQTTSE-SUMWQHHRSA-N 438.380 4.649 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(Br)cc(C(=O)OC)c1C 1206544959 SCXWLLNUUPZMHX-KRWDZBQOSA-N 431.330 4.853 30 10 IJEE C#CCOc1cccc(OS(=O)(=O)c2ccc(Oc3ccc(SC)cc3)cc2)c1 1209365036 BYIYPYCSIUOIQU-UHFFFAOYSA-N 426.515 4.981 30 10 IJEE C#CCC1(NC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)CCCCC1 1220568902 GFYARFZMNJAATI-UHFFFAOYSA-N 444.623 4.534 30 10 IJEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccncc2)c1)[C@H]1CCCc2ccccc21 1224426001 YGSFKJZMPPSHCY-VWLOTQADSA-N 438.531 4.556 30 10 IJEE C=CC[C@H](CC)NC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1227349690 XBMLQCUCMUEARN-KRWDZBQOSA-N 428.558 4.505 30 10 IJEE COc1cc(CN(C)C(=O)NCc2ccc(C#N)c(F)c2)ccc1OCc1ccccc1 1230108547 AASSWVBYQZOOFY-UHFFFAOYSA-N 433.483 4.627 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(OC)c(-c2ccccn2)c1 1264281121 UDZADAHEEIGLOD-UHFFFAOYSA-N 433.460 4.500 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)[C@@H]2C)c1 1265428306 LXIFMIHEKYJJEG-ROUUACIJSA-N 447.000 4.982 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(Cl)cc1Br 1265930032 KDYGKGMGHCJSHQ-CQSZACIVSA-N 430.730 4.628 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1286318906 ZMGBBTUHOHEXDR-SFHVURJKSA-N 430.955 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCN(C)C1CCCCC1 1286422305 YAPURWCRTMWKIV-UHFFFAOYSA-N 443.595 4.809 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC1(CCOC)CCCCC1 1286518662 YBEJWZAFJQQGFN-RUZDIDTESA-N 436.600 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1286560122 BXDMFIGVGUIATG-MRUHUIDDSA-N 427.499 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC(C)C)C(C)C 1286560631 HGKMMIMBGFBNAL-URXFXBBRSA-N 448.615 4.983 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2nc(C)cs2)CC1 1286638805 MWMURRUGXWFCBS-ZDUSSCGKSA-N 447.406 4.761 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCC1 1286746962 GPSCKUJJILTOIM-UHFFFAOYSA-N 433.581 4.766 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nnc(C)s1 1286754061 MAQIPBILPAHDHT-UHFFFAOYSA-N 445.596 4.739 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)c1 1296286375 VMMNDRQVGJMLOZ-UHFFFAOYSA-N 442.556 4.646 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@H](OC)C1 1300348121 JMCYDLXOYKPXNP-DNVCBOLYSA-N 449.368 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1 1300886015 UXUWTKHJUUXWRT-AUSIDOKSSA-N 444.595 4.892 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1300971936 HTBWLSHMKGXNOV-GOSISDBHSA-N 429.634 4.714 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1C(C)C)c1ccccc1 1301168054 KYAMPCUQNTYGJI-QPXUXIHVSA-N 438.616 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(-c2ccsc2)nc1 1301281707 WGMQYISSYBIARI-UHFFFAOYSA-N 447.564 4.756 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1301314657 ZNWPEKOJTVJRBX-XMSQKQJNSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCCC1(C)C 1301359475 KMHNADRGVVXKHE-OAQYLSRUSA-N 433.581 4.886 30 10 IJEE Cc1ccsc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1304127533 BMLVYQJLOXTZOE-IRXDYDNUSA-N 444.605 4.507 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H](C)C#N)s1 1304348340 GXTHTVKXNKKODE-CYBMUJFWSA-N 430.375 4.722 30 10 IJEE C#CCC1(NCC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)CCC1 1308102285 XXCYUJQJIKSNHO-UHFFFAOYSA-N 430.957 4.719 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2CC)cc1 1310682478 WVVHYXGNZVFDIX-UHFFFAOYSA-N 442.441 4.787 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCCC1(C)C 1311575053 DJDBARDLUHYCMQ-NQIIRXRSSA-N 435.634 4.554 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 1312517125 DTIHSGXVRQRGQO-LJQANCHMSA-N 431.458 4.599 30 10 IJEE COCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCCCC1 1315843456 FVBFRPNCNWQEBE-DEOSSOPVSA-N 437.588 4.681 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C1([C@@H](C)NC(=O)OC(C)(C)C)CCOCC1 1349911117 NOYJZILAAQKGRA-OAHLLOKOSA-N 443.009 4.626 30 10 IJEE CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C#N 1352860430 AZRPFZKYAMBGFE-UHFFFAOYSA-N 434.367 4.614 30 10 IJEE CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1=O 1353177238 HVXONKNLZLPXRR-IBGZPJMESA-N 441.487 4.741 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](NC(C)=O)c1cccc(Br)c1 1355027228 ISCIKLMMVKFLTE-QGZVFWFLSA-N 441.778 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCCC[C@@H]1C 1358886627 HPMVXSOLDKEIPX-SFTDATJTSA-N 446.599 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1358893172 PGOXSPZEXMGKBW-FBBABVLZSA-N 426.580 4.696 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@H]1CCCCO1 1358896115 XLOBFHHBQZHQFF-TZIWHRDSSA-N 445.007 4.669 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1358932953 CRWJZIRUAIQRLD-OAQYLSRUSA-N 449.624 4.634 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1359013694 IPBXSIZQUPGLJA-HYBUGGRVSA-N 438.616 4.675 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C/C=C\CC 1359015870 HSRKFYQUPUEWNB-WAYWQWQTSA-N 442.336 4.781 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1359085827 AIOMMIWQPASSRB-IBGZPJMESA-N 449.368 4.636 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC)c(C)c1 1359086258 PPJQCTWICXTEFD-UHFFFAOYSA-N 447.402 4.792 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(C)C)C1 1359087872 TVRUKECXSIKUSC-SFHVURJKSA-N 433.394 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccoc1 1359090552 COXZIEWMIPCGFY-LZNRXBQRSA-N 440.519 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(OC(C)C)cc1 1359115076 JONCCDLXYAEEIS-UHFFFAOYSA-N 444.583 4.755 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1359145757 BLHFQMKJECKXHR-UHFFFAOYSA-N 448.995 4.887 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCOCC1(C)C 1359233222 WIZUZBBKRNHRLZ-UHFFFAOYSA-N 446.020 4.546 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1359252435 RKWSFZYAUDRJGJ-UHFFFAOYSA-N 427.474 4.794 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C)CN1CCCCC1 1359257999 CPXITEWUARDTTN-JOCHJYFZSA-N 432.616 4.598 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1ccccc1Cl 1359268587 VRTKLDCTGIJJEV-JOCHJYFZSA-N 444.366 4.733 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359345603 KTRVMVNFCDRRPS-NHCUHLMSSA-N 442.629 4.541 30 10 IJEE CC(C)c1csc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)n1 1359476259 AJVJJSPZZAZQKX-OAHLLOKOSA-N 444.992 4.735 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCc2ccccc21 1360469662 GBRHBEJJFYQGTD-GOEBONIOSA-N 439.361 4.504 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1360480809 HHEMMZQFDNDGNJ-SFHVURJKSA-N 445.995 4.988 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](C)Oc1ccc(F)cc1Br)c1ccccc1 1439948523 ATDDGWFODHFKJX-CANCMXDXSA-N 426.307 4.595 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cc(-c3ccccc3Cl)n(-c3ccccc3)n2)CC1 1443517655 MPLPMKFSOCVSFQ-UHFFFAOYSA-N 434.971 4.963 30 10 IJEE C=CC[C@H](NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)C(=O)OCC 1447553583 RGMXOFIRVUGQPG-QFIPXVFZSA-N 432.476 4.904 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 1458910826 CMOIKTJFOWLJGS-JOCHJYFZSA-N 443.572 4.698 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3ccccc3)[C@@H]2C)n(Cc2ccc(F)cc2)c1C 1459618129 BGAOXQJBHVNAGI-GBXCKJPGSA-N 444.554 4.981 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(N3CCN4CCC[C@H]4C3)cc2)cc1OC 1461706886 IHDZAHXVNOYSLC-NRFANRHFSA-N 427.976 4.810 30 10 IJEE N#Cc1cccc(CS(=O)(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 1463184321 IFANIPDJGMOQCZ-UHFFFAOYSA-N 436.499 4.899 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CCCC1 1464062117 MPVIWPPUXLZJPK-UHFFFAOYSA-N 425.392 4.746 30 10 IJEE C=CC1(CC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)CCCCC1 1464996603 ZJEZXPJIFLKNGX-UHFFFAOYSA-N 437.584 4.584 30 10 IJEE C#CCN(C)C(=O)C(Cc1ccccc1Br)Cc1ccccc1Br 1466831833 TUOZGVIZQIESPF-UHFFFAOYSA-N 449.186 4.705 30 10 IJEE C#C[C@@H](NC(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1F 1478899751 GKRFYCDQUZRURW-HSZRJFAPSA-N 427.951 4.755 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C(C)(C)C)CC1 1507555293 LLENEHZBZHKAGH-UHFFFAOYSA-N 445.558 4.661 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1507576285 XKFWYOHPAXFANF-UYAOXDASSA-N 444.048 4.700 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCC[C@H]1CC 1507604619 LPFYYHATSQJREQ-OAQYLSRUSA-N 448.640 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCC=CO1 1507772455 PGXIGNGECGMSJG-VGOFRKELSA-N 447.366 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507796916 BXXHMMFHEYWOJG-RXVVDRJESA-N 441.938 4.750 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1507822551 CZKFYBIXEXDZLW-INIZCTEOSA-N 444.352 4.820 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1507841264 UFLXTXXZQGFORH-VXKWHMMOSA-N 449.599 4.726 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1507845734 OIVXRCSOOKYPLO-OALUTQOASA-N 430.543 4.756 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](Cc2ccccc2)OC)CC1 1507900498 OFRZELCCKDCFSQ-NRFANRHFSA-N 437.975 4.654 30 10 IJEE C=CCCCn1c(C)nnc1N1C[C@@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1507941901 ABJFVLXHEORPLS-ZSEKCTLFSA-N 433.915 4.649 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccoc1C 1507959526 QLHCTXJVVZGDMQ-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(F)ccc1F 1508014528 AMTUPLYXDYFOFB-UHFFFAOYSA-N 448.315 4.551 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)C1 1508124796 CCFSCRBWJJBBES-RBUKOAKNSA-N 449.020 4.574 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1508127285 UQCKQDPBDRUUMC-MJGOQNOKSA-N 436.934 4.739 30 10 IJEE CC(C)(O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1508733713 ACFAUIYTLDYNHE-OAQYLSRUSA-N 434.009 4.515 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)CCC(C)C 1514000915 IEERQCHLZJPSPA-QNIAMRLHSA-N 439.604 4.541 30 10 IJEE N#Cc1cccc(OCC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)c1 1524228309 BZXLTDGFMODXRP-UHFFFAOYSA-N 433.411 4.522 30 10 IJEE O=C(Cc1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 1526370414 GHYUXEJYWOVRBJ-UWVGGRQHSA-N 436.165 4.720 30 10 IJEE CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cccc(C#N)c2C)cc1 1530233897 BKFBBBBKEQOWNR-QHCPKHFHSA-N 433.552 4.863 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)c2ccc3cc(Br)ccc3c2)CC1 1534734573 DUUUKQIGXKHAKI-UHFFFAOYSA-N 434.337 4.873 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 1536323315 BZUMQYVOTUZETJ-MHZLTWQESA-N 428.576 4.780 30 10 IJEE CSc1nc(O)c(C(=O)N2CCCc3cc(C(F)(F)F)cc(Cl)c32)cc1C#N 1537248889 ZTCBVSZTRCBNLY-UHFFFAOYSA-N 427.835 4.646 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(OC(F)(F)F)ccc1Br 1538739355 BWFLCJZBONCXJQ-JTQLQIEISA-N 429.192 4.625 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1539035537 RPRQCXRBLUZZKX-FHWLQOOXSA-N 446.064 4.802 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)ccc2c1=O 1539066782 AKFGIOFBZTZZRA-UHFFFAOYSA-N 433.577 4.799 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1539498531 UUPSOJYJXOXYSQ-AABGKKOBSA-N 442.629 4.666 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ncc(CC)s1 1539504923 QUJAODINAFFWET-UHFFFAOYSA-N 432.018 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1539534345 OTINMIGZHFFOLW-AMZDPNTKSA-N 435.616 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCOC1 1539569849 VUOJWQYALZYSTO-KSFYIVLOSA-N 449.382 4.583 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)OC1CCCC1 1539585937 DHIPUDMIUGRRDP-UHFFFAOYSA-N 429.721 4.957 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1539621699 AYULVEJGYHVCAZ-GFRNBQLOSA-N 442.579 4.705 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](SCC)C1 1539631124 JAAKDECCVZDAPW-ANULTFPQSA-N 434.650 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)C[C@@H]1CC 1539636731 LYMAVEFNMWQHEC-ZHSNQQFMSA-N 430.543 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(C)C)c(F)c1 1539658783 AUHRBGDNIFMEBD-UHFFFAOYSA-N 428.943 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1539902711 MHOCGBMIQQOUGF-CALCHBBNSA-N 429.996 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539912870 VLFUDMFOBSOOIL-JOCHJYFZSA-N 441.583 4.668 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1539959695 OLZMGWIZJFVEPA-UHFFFAOYSA-N 443.567 4.745 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1540095470 QJRVIZISJKNQNI-AQNXPRMDSA-N 441.595 4.832 30 10 IJEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCSC1(C)C)C1CC1 1540116552 WDHJANUURRTFST-KRWDZBQOSA-N 428.602 4.552 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCO[C@H](C)C1 1540186665 GCRHYIDSWMVCLE-CTNGQTDRSA-N 438.547 4.651 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCO[C@@H](C)C1 1540186669 GCRHYIDSWMVCLE-FPOVZHCZSA-N 438.547 4.651 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(CCc1cccc(F)c1)C1CC1 1540854717 ZNGMCADEPJHZNQ-UHFFFAOYSA-N 444.352 4.583 30 10 IJEE C#CCN(CC(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1)C(=O)OC(C)(C)C 1542114547 OZGQDURHYGSECO-UHFFFAOYSA-N 433.961 4.505 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)OCC 1544338350 BLWKVVMLCSGZMG-SFHVURJKSA-N 434.901 4.550 30 10 IJEE COc1ccccc1/C=C1\S/C(=N\N=C/c2ccccc2O)N(Cc2ccco2)C1=O 1554646885 VNSKGZIZNPEEIJ-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-n2ncc3ccccc32)cc1Cl 1556558275 SELAOQOLMPQIRN-UHFFFAOYSA-N 435.911 4.983 30 10 IJEE C#C[C@H](NC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C)c1ccc(F)cc1 1556730220 INYLTXBHYZRMDR-SFHVURJKSA-N 428.389 4.791 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 1557251389 ZCODDTNQEDUBJS-UHFFFAOYSA-N 434.315 4.726 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 1559830223 GPGGAXCKWGIYNP-GOSISDBHSA-N 441.375 4.833 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Br)cc1Cl 1561959978 NQJHDCSTJAZAIC-SFHVURJKSA-N 438.774 4.804 30 10 IJEE Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CCN(c2ccsc2C#N)CC1 1562192167 IARRJAKFKBUKNC-UHFFFAOYSA-N 445.548 4.535 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 1564063240 OFXJFDCCHZLLSL-HXUWFJFHSA-N 439.314 4.980 30 10 IJEE C#C[C@H](NC(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C)c1ccccc1 1564997695 NPILKBBIFPBZGJ-YADHBBJMSA-N 433.552 4.807 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1)c1ccc(F)cc1 1583539230 PMAKXPACYLDWAN-XMMPIXPASA-N 425.463 4.791 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccn1)Cc1ccccc1C 1584878108 DZNDNUZSHNQEIK-OAQYLSRUSA-N 443.975 4.955 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cc2noc3ccc(Br)cc23)cc1 1585562008 QTWMOAPIPWNKMJ-UHFFFAOYSA-N 443.297 4.781 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 1585919745 QIPIWPGFPVTWKT-FQEVSTJZSA-N 434.319 4.940 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OCCC 1587585638 DBYWJKXGIAQPAR-LJQANCHMSA-N 431.584 4.933 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OCC 1588122065 MANZACWBKBKMLX-OAHLLOKOSA-N 447.771 4.850 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCSC1(C)C 1588185791 MJXOGMGHYPEGJH-FQEVSTJZSA-N 443.620 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(CCC)CC1 1589151165 SUNZSMBNRSJCLK-SHQCIBLASA-N 433.644 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1CC 1589506212 SUPVNOBOQVAJDG-MMOPVJDHSA-N 430.980 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(Cl)cc1Cl 1589578031 FFJQQWVWVZIARD-UGSOOPFHSA-N 433.343 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCCOC1 1589608926 QSRSMZNXCOEYKO-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2[C@@H]2C[C@H]2C(C)C)CC1 1594097054 LHVQZYPZGIRMES-VQTJNVASSA-N 429.609 4.766 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C1CCCCC1)N(C)C 1594857764 POUPZOPZGQKTCW-RXVVDRJESA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1 1595099410 ARNNLUMQEIMHGR-QHCPKHFHSA-N 444.608 4.614 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)CC 1595161454 ANSMVNRGZVTXHU-DEOSSOPVSA-N 435.597 4.765 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCOC1 1595234609 VWGCWTSAKVYQRD-FQEVSTJZSA-N 437.975 4.655 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595845299 QZUQTGQKZOKLQO-YLJYHZDGSA-N 448.608 4.728 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](c4cccc(C(F)(F)F)c4)C3)n[nH]2)c1C 1611527292 FJUKQJZRDOLSIX-QGZVFWFLSA-N 443.473 4.725 30 10 IJEE COc1cc(/C=C2/S/C(=N/N=C/c3ccccc3)N(Cc3ccco3)C2=O)ccc1O 1615300590 BQORNZCUTGTISD-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE C=CC1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 1615519871 OJHSQAQPKVBALT-JOCHJYFZSA-N 442.485 4.685 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC 1623194424 VHOJLGZDRJCPNZ-UHFFFAOYSA-N 439.487 4.507 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1625547517 CMDRDRQUDRBIMQ-UEXGIBASSA-N 434.527 4.981 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)cc1 1625680975 HMOBOBOCRIHRSF-JOCHJYFZSA-N 445.607 4.783 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 1626744628 GZTJXMWGZSTNBQ-UHFFFAOYSA-N 439.629 4.937 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)c1 1627477788 ZFAHGKJXMFTILI-IBGZPJMESA-N 433.529 4.767 30 10 IJEE C=CCC[C@H](NC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 1629368242 SGXKNBFEXUAIOE-SFHVURJKSA-N 441.400 4.929 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 1630314204 LAAJMKJBVAWNAF-UHFFFAOYSA-N 427.838 4.557 30 10 IJEE C=CCC[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 1631194154 CLGHHNGUJFOGOJ-SFHVURJKSA-N 444.457 4.525 30 10 IJEE Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@@H](CC#N)C3)c2)cc1C 1632699735 HIQCCPXIBNRCNW-KRWDZBQOSA-N 445.972 4.524 30 10 IJEE C#CCOc1ccccc1NC(=O)Cc1csc(-c2sccc2Br)n1 1638845053 VEFGMOXANINVRP-UHFFFAOYSA-N 433.352 4.827 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CC(C)C)c2cccc(O)c2)n(-c2cccc(F)c2)c1C 1641908006 CGDCTFQLDPDATG-UHFFFAOYSA-N 434.515 4.912 30 10 IJEE C=CCn1c(SCc2cc(O)ccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCCC3 1643347502 SCRIDZGXMAUNGG-UHFFFAOYSA-N 443.550 4.819 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)C1 1645066752 LMIMLIFDVNONKS-KRWDZBQOSA-N 433.618 4.994 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@](CC)(C(=O)OC(C)(C)C)C2)cc1OC 1653032717 HHOMUGDHOCJGRJ-BVYAJCBJSA-N 429.557 4.634 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1653456050 AHBPDBDUNDIOSS-IBVKSMDESA-N 444.575 4.954 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCSc1c(C)[nH]c2ccccc12 1653940966 UXBHPGHSQRUZFF-UHFFFAOYSA-N 432.549 4.749 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1OC)c1ccccc1 1654689750 FGKBHPHVWFWGLP-MRXNPFEDSA-N 428.323 4.583 30 10 IJEE C#CCN(C[C@H](O)c1ccc(F)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1657340472 UDDQLTKIHXKJSX-OALUTQOASA-N 438.724 4.734 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1OC 1657699516 LRBSNVHHCDZWNI-LIRRHRJNSA-N 438.337 4.763 30 10 IJEE C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1658735814 BNMBYADWRXZWSV-OALUTQOASA-N 430.508 4.764 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C)c(Br)cc1F 1666357895 XVZMNQTXTVUXBE-IBGZPJMESA-N 436.346 4.598 30 10 IJEE C=CCCC1(CNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)CCCC1 1670678779 GMTGOEOVLZQOKO-UHFFFAOYSA-N 439.604 4.515 30 10 IJEE C=CCCCCNC(=O)Nc1cc(Br)cc(I)c1C 1673943475 JTOFCNFQSJEDOG-UHFFFAOYSA-N 437.119 4.840 30 10 IJEE C#CCN(C(=O)Nc1cc(C)cnc1OCC)[C@H]1CCOc2ccc(Br)cc21 1678004453 RJQKNVFDGZUPLW-SFHVURJKSA-N 444.329 4.542 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 1682344711 MPJYZQOUSBGTQD-BAGYTPMASA-N 443.563 4.711 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1682445648 NUUSDKOUYOGQOO-JOCHJYFZSA-N 439.556 4.554 30 10 IJEE CC(C)(CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(Cl)cc1 1682853348 FAVRXGNNVVCWIH-UHFFFAOYSA-N 426.948 4.574 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1683676785 VOPRLSYQFDLRBN-WMZHIEFXSA-N 431.964 4.589 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 1684994554 OYBIUGQPEJSDQM-YADHBBJMSA-N 427.589 4.715 30 10 IJEE C#CCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCCc2ccccc21 1685132703 QBDIHISLMNUAEN-LEWJYISDSA-N 439.353 4.995 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@](C)(CC)O1 1689954059 JYSXCSQKIVSRFZ-CPJSRVTESA-N 434.540 4.534 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1690068861 DAFNTSFEABUCKX-OFNKIYASSA-N 433.625 4.858 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1690304535 GFRZFMDCUGHRAL-UHFFFAOYSA-N 436.556 4.832 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 1690344734 YOULEUZOJVXGDX-MSOLQXFVSA-N 438.016 4.627 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(CCC)CCc1cccs1 1690348778 AVXLDNJCWGGDBT-UHFFFAOYSA-N 441.004 4.790 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1690420620 QJSUVBUDKVGYOE-KRWDZBQOSA-N 438.563 4.620 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1690482114 ZLIRXMWNQYIFEE-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1cc(Cl)ccc1OC(F)F 1690589775 AAQZWIPNLIDXPR-UHFFFAOYSA-N 433.890 4.765 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC1(C)C 1690605259 CTMPEDWAKCOCRY-OAHLLOKOSA-N 444.377 4.910 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1690637738 JIJZBQYBDXJLQY-TZIWHRDSSA-N 437.588 4.569 30 10 IJEE Cc1cc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCC[C@](C)(C#N)C2)no1 1692996134 FJQLLYUYXKBTHZ-RUZDIDTESA-N 448.571 4.845 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](CCOC)C1 1705510994 FFNZLILXEAJUEJ-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc(C)c(C)s1 1705588740 JDRIURGJLKJXNQ-FQEVSTJZSA-N 447.608 4.619 30 10 IJEE C=C(Cn1c(N2CCN(C(C)=O)C3(CCCCC3)C2)nnc1C(C)(C)C)c1ccccc1 1705743639 DNRNOBPSTASACC-UHFFFAOYSA-N 435.616 4.660 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC)[C@H](C)C1CCC1 1705745752 GWMVRJUCJJPOIK-OAHLLOKOSA-N 434.968 4.738 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCN2CCCC)CC1 1705764607 GCCZKHKEXCVOCO-JOCHJYFZSA-N 438.576 4.664 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2c(C)noc2C)CC1 1705764669 IIWAYJRZTNZCJJ-UHFFFAOYSA-N 434.363 4.579 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705787780 DMHPILJTOIVGPF-NRFANRHFSA-N 448.615 4.550 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1705798203 MQMRWGPUZLPRHR-ZEQKJWHPSA-N 438.616 4.915 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CC(C)(C)C1)C1CC1 1705854938 REQSSFSBMORZOO-UHFFFAOYSA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H]1CCCCN1C1CC1 1705857482 GJKCAFRNFOMDSG-HYBUGGRVSA-N 432.616 4.873 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)OC 1705858936 ARSAQMGPRLATJR-UHFFFAOYSA-N 444.377 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCOC[C@@H]1C 1705871276 DHWKMYDEKKTJCL-JKSUJKDBSA-N 449.368 4.698 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](SC)C(C)(C)C)C1 1705928085 BBYSPVMVZASWLB-XLIONFOSSA-N 448.608 4.555 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 1722321903 DFEBNSGLMPGJIZ-AABGKKOBSA-N 429.609 4.778 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1722326863 XUBFPDIZDCEGCI-FQEVSTJZSA-N 435.597 4.824 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCN(C(C)C)C1 1722403912 JDZUMRJQCJUBFB-QGZVFWFLSA-N 434.415 4.832 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1722515632 VPOHKITXROAGRM-UHFFFAOYSA-N 433.622 4.636 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(Cc1c(F)cccc1F)C1CC1 1722586762 QSRBUZOTIQWMFS-UHFFFAOYSA-N 426.515 4.728 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722601190 FOSXWEXTHGVWRL-SFHVURJKSA-N 429.565 4.554 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1722602073 PAWZQFPXEFIYPO-UHFFFAOYSA-N 434.519 4.540 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1722633869 GHASUWGXNMFMCP-UGKGYDQZSA-N 437.613 4.721 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc2c[nH]nc2c1 1722634203 ANJHVHGFMNBOCP-UHFFFAOYSA-N 443.374 4.510 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CCCO)CC1 1722682896 QPQKOMZHSNUYQB-GOSISDBHSA-N 432.996 4.863 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOC(C)(C)C)C1 1722713277 CQQLKADMNWFCNB-MJGOQNOKSA-N 444.645 4.728 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CC 1722740796 YVYCPLJATSAVNN-MSOLQXFVSA-N 435.638 4.648 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(C)(C)SC 1726983122 CIHJLPRUHBEEAL-GOSISDBHSA-N 426.634 4.522 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=C)c1ccccc1 1740680912 RYOKYNITDLZRQK-LJQANCHMSA-N 446.620 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN(C(C)C)C1 1740734606 KFDRCTSFAJYOQH-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccc(C)cc1 1740763843 QOFLWXYXKVCAHH-WIOPSUGQSA-N 438.616 4.816 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1 1740843268 CUPJSJHNWLVNEA-CTNGQTDRSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCCOC1 1740846356 WARLVIFZWIVSKQ-HXUWFJFHSA-N 434.588 4.596 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1740872793 WFQQOKUMSMQUMZ-SFHVURJKSA-N 436.560 4.810 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1cccc(Cl)c1)C1CC1 1740906124 DCHWYNINLWDRBX-JOCHJYFZSA-N 444.366 4.709 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC 1740918357 OTXKQAAJQKMBEB-FQEVSTJZSA-N 425.577 4.953 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCSC[C@H]1C)C(C)C 1740925999 FRZQUPHWHNDLIL-GGAORHGYSA-N 439.673 4.894 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1(CC)CC1 1743748404 DYHVKRNDSFQFHA-QGZVFWFLSA-N 426.996 4.833 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1CCC[C@@H](C)C1 1748656526 SBOMIBWKNSXOBC-MSOLQXFVSA-N 444.023 4.576 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1749032874 SNGVAOBDGFLAHR-QUCCMNQESA-N 435.597 4.981 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](CC(C)C)C1 1749103583 CHUUBKBIPMNHBJ-HNNXBMFYSA-N 439.348 4.928 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1749286074 DTFPXUKBIPPXOM-OHUGHZGNSA-N 442.604 4.770 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749376213 RGOWBXFWXDDIFW-FCHUYYIVSA-N 438.616 4.939 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@]1(C)CCCS1 1749528255 JOKDHKCXCXVTLQ-DEOSSOPVSA-N 437.613 4.771 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1Cc1c(C)coc1C 1749530955 ANDFJHSXDOPLIC-UHFFFAOYSA-N 438.535 4.586 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)CC 1749594620 OIBPPRIVKYCPSU-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCOC(C)C)C1 1749696923 YLKMMQVOFSFVEU-FQEVSTJZSA-N 444.645 4.872 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(CCOC)CCC2)C1 1749700697 MTTGGZQHAMWMEU-SFHVURJKSA-N 448.970 4.726 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSC(F)(F)F)CCS1 1750675886 HERZZKVTMPJAIU-MRXNPFEDSA-N 441.548 4.648 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H]2C(C)C)C1 1750830683 GAAICDYRMXSUAL-ISKFKSNPSA-N 434.632 4.810 30 10 IJEE Cc1cccc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)n1 1751631303 IEBRPXCHXZYQGW-KBMIEXCESA-N 448.546 4.633 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CC1CCC(C(F)(F)F)CC1 1760123443 GBUUNWNJZCUFIF-LMDPOFIKSA-N 434.506 4.992 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1760353571 WSQCIKNDAMWQGS-LPHOPBHVSA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1760381626 SVMKQZCFWQEKNA-SQJMNOBHSA-N 437.588 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(C)C 1760406380 BYEGKPRYJJPSHX-UHFFFAOYSA-N 446.665 4.631 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760424831 WGGDMPIELSKMLJ-UHFFFAOYSA-N 449.521 4.505 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1760430136 AAWJSMQOJKUNNW-UXHICEINSA-N 434.943 4.856 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1760433653 JVNNIVXFSJZSLF-UHFFFAOYSA-N 449.784 4.697 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760442403 PQHADYUKVDVMIT-UHFFFAOYSA-N 448.615 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N(C)C 1760487020 HMKVZSKFNJHLMF-KRWDZBQOSA-N 430.021 4.727 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1760532171 MWVPSORSSLUXGN-UHFFFAOYSA-N 440.979 4.706 30 10 IJEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CC1CC1)C1CCCCC1 1763923930 GXQYQKLBIXAHCS-LJQANCHMSA-N 448.615 4.671 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)C1 1766781697 FREBQFJSPKRAGM-RTWAWAEBSA-N 439.629 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(C)(F)F 1772523379 AQBWYWKFPSEWDS-JOCHJYFZSA-N 432.515 4.778 30 10 IJEE Cc1csc(N=C2S/C(=C3\C(=O)Nc4ccc(F)cc43)C(=O)N2c2ccccc2)n1 1772738066 NFXJXTCTFYJKSU-LXHPFOTCSA-N 436.493 4.722 30 10 IJEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccc(C(=O)O)c1 1772740170 YZOHNMWBQZJPHS-PTOVGEMASA-N 449.444 4.787 30 10 IJEE NC(=S)N/N=C\c1cn(-c2cccc3ccccc23)nc1-c1ccc2c(c1)CCCC2 1857807482 KVLNILSQKUJNIY-DICXZTSXSA-N 425.561 4.738 30 10 IJEE Cc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2cccc(C#N)c2)cc1Cl 1858833808 DEWROSRWGOFDOG-UHFFFAOYSA-N 435.871 4.577 30 10 IJEE N#Cc1c(O)nc(SCCCOc2ccc(C(=O)O)cc2)nc1-c1cccc(Cl)c1 1860466378 ROPMEMKPDGEAJG-UHFFFAOYSA-N 441.896 4.634 30 10 IJEE Cc1ccc(CC[C@H](Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)C(=O)O)cc1 1860466550 YXQGRBXJVXEBBW-SFHVURJKSA-N 439.924 4.861 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(=O)Nc1ccccc1C#N 1860750914 ZJFGWOCLTQUOBM-UHFFFAOYSA-N 447.516 4.658 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1 1862385384 NYYSVRTXGMKTGT-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC)c(O)c1 1862436484 UWAPDMDFHDMWFT-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862442997 WHAAMHYGNQAANT-JOCHJYFZSA-N 433.891 4.997 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOCC)c1 1862479478 IFWVDDNWNCQNCQ-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2c(F)cccc2Cl)c1 1862494910 QSKCYQNWIGBZPY-NRFANRHFSA-N 444.934 4.626 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Br)cc2)c1 1862566526 XTYITISINMCYCO-IBGZPJMESA-N 441.325 4.552 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592537 FKZFKEXLWAHETK-XMMPIXPASA-N 436.467 4.719 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862595403 MAYSMFGDDROZMA-NRFANRHFSA-N 427.447 4.972 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862599653 JYLBUVADSUIRSW-LJQANCHMSA-N 444.871 4.722 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F 1862605945 HCZAOIGLMSCMCT-QFIPXVFZSA-N 439.483 4.756 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(C)c2)cc1 1862687620 NFNUTWWANMCHGP-QFIPXVFZSA-N 433.529 4.886 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2cc(OC)ccc2OC)C1=O 1863717377 KTUHTIXBFMATRR-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nc(-c2cccnc2)n1 1869370061 XHEPURORGJQRGT-AUSIDOKSSA-N 445.542 4.823 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2Cl)c(=O)cc1CN(CCO)CCCC 1870346143 BOHHUDADVTWVJO-UHFFFAOYSA-N 439.383 4.515 30 10 IJEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1 1870468092 OJRUFEXIUQFRRU-UHFFFAOYSA-N 449.982 4.589 30 10 IJEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1871005460 HFDZJTNSWDIUIG-UHFFFAOYSA-N 447.966 4.774 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871438917 YBYJYZRLRJINQN-MSXFZWOLSA-N 427.456 4.831 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871457249 XDUKTLHLEAKCCE-JJFYIABZSA-N 449.459 4.547 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4sc5c(c4C#N)CCC5)ccc3C2=O)o1 1871461230 BLOPOMWGJNNBPJ-JMIUGGIZSA-N 446.484 4.644 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872149076 AHRZFGLZPJTTFH-DYESRHJHSA-N 434.989 4.960 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(NC(C)=O)c3)n2)cc1Cl 1872789372 HHROUYBJEWNPBV-INIZCTEOSA-N 425.897 4.921 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641907 SJBCYGBHCBBHQF-UHFFFAOYSA-N 440.551 4.856 30 10 IJEE Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)Nc3ccccc3C#N)ccc12 1873868786 QOZPLJGXXPNGKY-UHFFFAOYSA-N 438.483 4.890 30 10 IJEE Cc1c(CCC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873942536 HPMVTWOXLFOSBM-UHFFFAOYSA-N 438.409 4.551 30 10 IJEE COc1cc(/C=N/n2c(CCCOc3ccccc3C)nnc2SC)cc(Cl)c1O 1874247860 AEJIXTJXCMXVAM-YDZHTSKRSA-N 446.960 4.570 30 10 IJEE CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1O 1874388780 DOLYPFYUWMRGJD-CIAFOILYSA-N 431.359 4.640 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)C)c1 1874509125 MJUKDIBSXWUZBA-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)cc1)Nc1ccc(F)cc1 1874516128 HYRYQOUCJCPMAA-FOKLQQMPSA-N 429.908 4.561 30 10 IJEE COc1cc(/C=N/n2c(C)nnc2SCc2ccc(C)cc2)cc(Br)c1O 1874529585 RCJNYVDMUWNXQX-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1874605843 INUVAGMBYNZOMT-XVNBXDOJSA-N 437.279 4.703 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2OC)c1 1875103882 UWCUZYXRKBFRTJ-DHZHZOJOSA-N 448.471 4.836 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cnccn1 1875132701 ZPFRBYJXTOUGIS-QHHAFSJGSA-N 429.259 4.907 30 10 IJEE COCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1Br 1875170795 QLDLUDQNDKDWIP-FNORWQNLSA-N 433.298 4.522 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)[C@@H]1CCCO1 1875181800 YHAIQILLMZFWQH-IEJURRBGSA-N 430.884 4.646 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1879744660 YUJFDUZWMWUICE-UPCLLVRISA-N 442.365 4.732 30 10 IJEE CN(C)CC#CC1CCN(C(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1 1890522120 TZGQSGDLIDYFIK-UHFFFAOYSA-N 441.575 4.745 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Br 1891653818 VOMHSWQUTJZPLJ-UHFFFAOYSA-N 446.650 4.934 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(-c2cc3ccccc3o2)on1 1891671504 HZWYEMKNRPAVMV-UHFFFAOYSA-N 440.377 4.919 30 10 IJEE C=C(I)COc1c(C)cc(Br)cc1CNC(C)(C)C 1895094678 GBWKJLIIXLQLTD-UHFFFAOYSA-N 438.147 4.973 30 10 IJEE CC#CCN(CC(=O)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1900629472 LCHSLPTWNRYTPS-UHFFFAOYSA-N 445.151 4.655 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)C1CCCCC1 1901482976 LWXHOJRZPKVVHY-DQEYMECFSA-N 445.563 4.892 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1O)c1ccc(F)c(F)c1 2033813846 IKADGARTLQKNCX-LJQANCHMSA-N 427.428 4.510 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)c(Br)c1)c1ccsc1 2035107463 YOKRTNVNSSNNOR-JTQLQIEISA-N 432.080 4.605 30 10 IJEE C=C(Br)CCOc1c(Br)cc(CNCC)cc1Br 2045032900 RHKDPVQSNDCGGZ-UHFFFAOYSA-N 441.989 4.999 30 10 IJEE CCc1nn([C@H](CC)c2ccc(C(F)(F)F)cc2)c(I)c1C#N 2080053773 WFVDLYOZOFRYBH-CQSZACIVSA-N 433.215 4.940 30 10 IJEE O=C(O)c1cnc2c(-c3ccc(F)c(C(F)(F)F)c3)c(C(F)(F)F)nn2c1Cl 2081153486 PSYJFRIYMJILOA-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE Cc1nn(Cc2cc(Cl)c(C)c(Br)c2)c(C)c1B1OC(C)(C)C(C)(C)O1 2167561000 URRBKWNSECKORH-UHFFFAOYSA-N 439.590 4.572 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)C2(CCC2)CC1 2174807161 YBWBCLBDDGKWAO-UHFFFAOYSA-N 438.341 4.830 30 10 IJEE CC(C)(C)OC(=O)NCCCc1cccc(Nc2cc(Br)cnc2C#N)c1 2204102205 VFMQVASZDJGTLP-UHFFFAOYSA-N 431.334 4.917 30 10 IJEE CN[C@@H](C#Cc1ccc(C)cc1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2231148398 LNZDTZKWDSIGSQ-LSYYVWMOSA-N 448.607 4.779 30 10 IJEE Cc1cnc(Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c(B2OC(C)(C)C(C)(C)O2)c1 2232272797 FRVNAEVZMDBFJC-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE C#CC[C@@H](C[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237418265 JAVLLVYJLLVOCZ-DBVUQKKJSA-N 435.406 4.652 30 10 IJEE CCCN[C@H](CC#CC1CCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2261102056 ZPDCZDQVWDBIMK-RUZDIDTESA-N 441.660 4.965 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267207313 QNIBVVADCJHVHX-KRWDZBQOSA-N 443.343 4.951 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2ccc(Br)cc2)cs1 2278794821 ZDGSAJIZGMYCAA-WBMJQRKESA-N 437.359 4.576 30 10 IJEE N[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 2278816045 NQLNWZGUZZFLHT-GOTSBHOMSA-N 449.348 4.796 30 10 IJEE CC1(C)OB(c2ccnc(N[C@H]3CN(Cc4ccccc4)C4(CCCCC4)C3)c2)OC1(C)C 2280758577 HJGIRXMTINNNOL-HSZRJFAPSA-N 447.432 4.770 30 10 IJEE C=CCCC1([C@H](NCCC)c2nc(C)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2281048028 MEVLQUCPIPPTOY-MRXNPFEDSA-N 441.414 4.725 30 10 IJEE O=C(C#Cc1ccccc1Cl)[C@@H](O)c1scc(Br)c1Br 2295237895 TZTCOVHSVLIPAD-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2296221614 KEEMFIKEUNAZOO-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCCC[C@@H]1NC(=O)OC(C)(C)C 2296288740 KCJIWZIHTSYGJW-XQBPLPMBSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C 2296301329 SPXVMEMLINAUHB-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CC[C@H](C)[C@@H]1C(=O)C(=C(O)[C@H]2[C@@H]([C@]3(C)O[C@H]3C)C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@H]32)C(=O)N1C 2297748857 NPWKEUKXVOMELT-JBGHWTFESA-N 429.601 4.532 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)c(OC)c1 2314430037 UWMHXTVOFRYTSG-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CC1(C)[C@@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1OCc1ccccc1 2317217780 BNDBNGZAFCFGLY-PMACEKPBSA-N 442.796 4.830 30 10 IJEE C[C@@H]1Oc2ccc(C(=NOCCOc3cccc4ccccc34)C3CC3)cc2N(C)C1=O 2318633454 DOZTXBOCYDGVPG-KRWDZBQOSA-N 430.504 4.793 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1ccccc1C 2321935455 NGVVOTYASOZEJA-FQEVSTJZSA-N 438.553 4.587 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccccc1C 2322485500 PHKGZQDRTFLOKV-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC(=O)Nc1cccc(C)c1 2323044498 WPRKICAZPNSSFU-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCNC(=S)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 2323057752 CVMCSEDNBGNILV-UHFFFAOYSA-N 426.369 4.789 30 10 IJEE CCCNC(=O)COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC 2323229955 RUTYFLMSXOCQEB-UHFFFAOYSA-N 439.552 4.802 30 10 IJEE COc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1cc(C)ccc1C 2323536075 GCSHSZUKOXCVAX-FQEVSTJZSA-N 438.553 4.505 30 10 IJEE COc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1cccc(Cl)c1 2323536574 MMNNEOXPCOEIBL-GOSISDBHSA-N 444.944 4.542 30 10 IJEE CCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1cc(OC)c(OC)cc1OC)C2=O 2323744338 TXNDEBGOPXZXAX-UHFFFAOYSA-N 426.465 4.733 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2323900522 YGKBRZJRPMRCHL-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2325103934 UMDKOBMBPDKBJT-UHFFFAOYSA-N 439.464 4.878 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2325721491 MKJHZKWMPMADCI-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(OCC)cc1 2326769136 JQCKDIXDWOBJSK-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(OC)c(O)c1 2326924391 UQHFHHSUBDULLO-UHFFFAOYSA-N 438.597 4.912 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)c1 2328607777 UQTOYBPBZWCNNU-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccn2C)c1 2329171858 HQHGBKRYATXUBI-UHFFFAOYSA-N 431.565 4.721 30 10 IJEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 2331767447 ASBNXCANHUEDKR-UHFFFAOYSA-N 446.503 4.843 30 10 IJEE CCc1csc(C#C[C@@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)n1 2338647141 DYFODXLVIYSMAH-MRXNPFEDSA-N 437.359 4.900 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@@H](O)C#Cc3ccccc3Br)C[C@@H]21 2359586078 JVLTZFUAJNQIDI-HNJRGHQBSA-N 434.374 4.587 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@@H](O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2360197428 LUHZUMKSMPYEDW-JLEJFLCFSA-N 434.374 4.635 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2360197444 MQPUOHNWHSEYLY-SLFFLAALSA-N 435.406 4.862 30 10 IJEE Cc1ccc(C)c(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c(C)nn(C)c2C)c1 32973572 ZDPSODOEWCKCQV-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE N#Cc1cccc(CN2CCc3nc(N4CCCCC4)nc(Oc4cccc(F)c4)c3C2)c1 34756034 OKMWIZUTUMSJFN-UHFFFAOYSA-N 443.526 4.828 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)CC(C)C 36122143 XENNSMTUKKNKGB-NRFANRHFSA-N 440.609 4.622 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCC)cc1OC 38706033 ZEFYTJCBYGZKFF-RUZDIDTESA-N 447.535 4.928 30 10 IJEE COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 64874208 JUBKRBSMLOSSQY-QFIPXVFZSA-N 448.910 4.819 30 10 IJEE CCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(C)C)cc1 100280623 WCOARQDAMCNLDI-HSZRJFAPSA-N 444.616 4.825 30 10 IJEE CCCCCCCC(=O)N1CCN(Cc2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1 102992256 WYAHKTXXHBGEKI-UHFFFAOYSA-N 438.494 4.760 30 10 IJEE CCCCCCCCCOc1ccc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)c(Cl)c1 169897760 HNWTXKMUSHMFRN-XYGWBWBKSA-N 448.995 4.842 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(O)cc2)cc1 169959329 GRROVEAZHYBTJX-QFIPXVFZSA-N 444.443 4.646 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccnc2)c1 170000670 YPANGGMDRJFPAV-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccncc2)cc1 170019803 XWHVVDTYKOQUDY-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2C)c1 170086252 GGFSOJWHVDAQQG-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1OC 170091799 CUYIWRYHPXOIEG-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(C)o1 170100382 BIEVALUBIMMBLB-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)cc1C 170131474 REQISFAMXVLUEO-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccncc1)c1cc2ccccc2o1 170199618 FHTRFPWQIFFHBM-NRFANRHFSA-N 432.382 4.889 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccncc2)cc1 170201047 MATVMRAXWVXSMI-HSZRJFAPSA-N 428.488 4.744 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)cc1C 170206395 SRWKKKVPCGNJIP-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 170253914 VJTUAXVDRMNVFU-IBGZPJMESA-N 445.302 4.699 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170265123 MBSNULKQBWOIHE-OAQYLSRUSA-N 427.928 4.906 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C)o2)c1 170307210 MIUDEMMRPAGCHI-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(C)c2)cc1 170343917 CABOCVGLAFQZSA-NRFANRHFSA-N 431.444 4.548 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170362541 ZKDHSDDWVRFYSY-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(=O)O)cc3s2)[C@@H]1c1cccs1 170478008 FWEVPGULHSDFMN-OAHLLOKOSA-N 442.518 4.571 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](COc4ccccc4)C3)cc2)cc1 483846548 GSSPWUCCWSRSDD-XMMPIXPASA-N 429.476 4.662 30 10 IJEE CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505153378 SXUPLFMPTUTDAN-UHFFFAOYSA-N 441.915 4.622 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508944242 CNYLILYIBVWMEU-MRXNPFEDSA-N 434.569 4.870 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)C[S@](=O)Cc3ccc(C(C)(C)C)cc3)c2C#N)C1 526857339 AZMCVPOPXSPWNL-PEGYKEAPSA-N 428.623 4.929 30 10 IJEE C=C[C@H](CC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 538597661 DSVAFTCORLTRID-LJQANCHMSA-N 433.470 4.841 30 10 IJEE N#Cc1cc(Oc2ccc(N3C(=O)N[C@H](Cc4cccc5ccccc45)C3=O)cc2)ccn1 564548914 DMZGPJMPHIKYPJ-XMMPIXPASA-N 434.455 4.566 30 10 IJEE Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 608995375 MHCRUKNHFPURLY-UHFFFAOYSA-N 444.491 4.678 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(Br)cc1F 689353039 XWLKSDBOOTYECY-WBVHZDCISA-N 431.321 4.685 30 10 IJEE O=C(/C=C\c1cnn(-c2ccc(Br)cc2)c1)c1ccc(C(F)(F)F)nc1O 731563786 VFBDMMDMUSXJCD-XFSBKJJWSA-N 438.203 4.650 30 10 IJEE C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C#N 732586209 GERDPBXIPNRUJL-NWVWQQAFSA-N 440.499 4.811 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCc3cnn(Cc4ccccc4)c3)c2)s1 740032261 HFBZYDXVIUMUQT-UHFFFAOYSA-N 427.533 4.531 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(C)C(=S)N[C@H]1c1cnc(-c2ccccn2)s1 753385380 UQFBBZRDLOGOSI-SFHVURJKSA-N 440.981 4.720 30 10 IJEE C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 755602480 MUXNQPWGNOFTKM-JICACKBISA-N 431.420 4.660 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)n1 788577385 OQDSBZLRDOJOHG-UHFFFAOYSA-N 432.524 4.606 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C 799211366 LWLAMVLHHNNEFW-JOCHJYFZSA-N 427.529 4.742 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 809921234 KFBJSGWNHYMETF-SFHVURJKSA-N 445.523 4.834 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)nc1C 916961173 QJBVRAYQMYFJGB-UHFFFAOYSA-N 445.618 4.512 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1 1084442240 IFKBZIIXWNQPIR-UHFFFAOYSA-N 448.474 4.699 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1csc(-c2c(F)cccc2F)n1 1124533487 BMZXMXSQXFOJOA-UHFFFAOYSA-N 445.443 4.831 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3-c3ccc(Cl)cc3)CC2=O)cc1 1125672514 HHFOOSZSDHCZCZ-HXUWFJFHSA-N 429.907 4.548 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(OC)cc2Br)cc1OC 1127652110 VQXUFLRJXIJALA-USYSOWRXSA-N 446.341 4.922 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CCC(CC)(CC)CC1 1128643762 GNVOXGVIBKGPCQ-UHFFFAOYSA-N 437.378 4.963 30 10 IJEE COc1ccc(SCCC(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc1OC 1130025209 FPLIDMROQDOALF-UHFFFAOYSA-N 433.533 4.686 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 1131385294 XAZGOFVBCXTKII-UHFFFAOYSA-N 434.540 4.925 30 10 IJEE COCCN(Cc1cc(Br)cs1)c1cc(Br)c(C#N)cc1F 1163241368 DZNNGNYVLMHDQX-UHFFFAOYSA-N 448.155 4.937 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2CCCC2)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164428118 BYMISICJCCNABN-HNAYVOBHSA-N 445.654 4.508 30 10 IJEE C=CCn1c(SCc2cn(C(C)(C)C)nn2)nnc1-c1ccc(Br)cc1 1164621260 LFVNPUBKHUCEDD-UHFFFAOYSA-N 433.379 4.532 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)cc1F 1182840796 HUBSTKJUBHEBNN-OAQYLSRUSA-N 447.363 4.984 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nnc1-c1ccccc1F 1188282864 MXTYUBFZYUEIQQ-GOSISDBHSA-N 446.910 4.960 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 1199731307 FTRJDJJVEXPMBB-ZDUSSCGKSA-N 449.326 4.790 30 10 IJEE C#CCN(C(=O)Nc1cc(OCC)ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1205436285 YQKZUVCAQNZDRY-UHFFFAOYSA-N 435.952 4.605 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)c1ccc(Cl)cc1 1252449401 PMEPANJQBBUCRM-HXUWFJFHSA-N 445.922 4.678 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3)c2)cc1 1266832428 ATNSVYMYESNVJS-JOCHJYFZSA-N 431.923 4.799 30 10 IJEE Cc1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c(C#N)cc1N(C)C 1274791991 AAGIINMVBIWMAR-UHFFFAOYSA-N 443.532 4.867 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC[C@@H]1OC 1286277010 VULYTCFQUNMHKG-VDGAXYAQSA-N 435.597 4.650 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(C#N)CC1 1286318971 XCCFBGHRQFZVLI-UHFFFAOYSA-N 426.362 4.641 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(CC1CCC1)CC1CC1 1286532431 DYUAPUDCMZDVJX-UHFFFAOYSA-N 431.378 4.879 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1286607922 LZGILKVIFBQBSK-QGZVFWFLSA-N 447.421 4.956 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286620999 XSDPUIMVZNIUDK-RTBURBONSA-N 440.979 4.515 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 1286656237 RMNISJGHAACIKO-OAQYLSRUSA-N 432.597 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1286669894 WRMRLJBXUUNDDC-UHFFFAOYSA-N 449.990 4.727 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccnc2)n1Cc1ccnc(C(F)(F)F)c1 1286680767 NBUXADFMJVXLPZ-UHFFFAOYSA-N 430.478 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nnc(C)s1 1286754033 LISBVTVEAHJSFD-UHFFFAOYSA-N 449.609 4.764 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC(C(F)(F)F)CC1 1286795778 MCIUKBQTUBATBX-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CCn1c(SCC(=O)N2CCCCc3cccnc32)nnc1-c1ccc(Cl)cc1 1288203029 RYTQYEOHRAVAQA-UHFFFAOYSA-N 439.972 4.641 30 10 IJEE Cc1cnc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H](C)C#N)s1 1290294635 FQEBPGKAOPGNOB-MAUKXSAKSA-N 438.601 4.638 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 1291959396 PHSPNJROIMLTIW-GOSISDBHSA-N 427.549 4.783 30 10 IJEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2ncc(C)s2)C1 1293497675 CBZLXAWGZIXAQI-FUHWJXTLSA-N 436.585 4.534 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1Cc2ccccc2[C@@H]1C 1300341877 MJESMNALIBWAIT-INIZCTEOSA-N 438.373 4.931 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(C(C)C)CC1 1300394460 QKRMCIVYJLBALK-UHFFFAOYSA-N 425.646 4.609 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC(F)(F)C1 1300609786 UYHALYHGNKDRCU-KRWDZBQOSA-N 432.515 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC1(C)CC1 1300789536 OURBFYSHUCBWJU-OAQYLSRUSA-N 429.362 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCc1ccc(Br)cc1 1300802686 UICBSHVYNOODKI-SIKLNZKXSA-N 443.389 4.517 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@H]2CC)CC1 1301112691 ZAXLMIFIKUYQIL-TZIWHRDSSA-N 442.629 4.577 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301214782 HDIDCHKBMRKKJF-HNAYVOBHSA-N 433.478 4.559 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCC[C@@H]1C)C1CC1 1301316457 LGWJOJSSBFBLQQ-LHSJRXKWSA-N 449.368 4.553 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C 1301365444 PNNLEICBGGNBIK-WMZHIEFXSA-N 437.613 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H](CC)N1CCCC1 1301383989 LUSKLZUCKDPEJF-SFHVURJKSA-N 444.421 4.760 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](CCC)OC)C1 1301543048 UNTZGLAACBNURY-FGZHOGPDSA-N 426.605 4.839 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1301621302 UUPJMSWTPZSLAE-VQTJNVASSA-N 442.629 4.801 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1307907681 HBZGKWCVPQQIFH-INIZCTEOSA-N 425.458 4.850 30 10 IJEE Cc1cc(CN2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)ccc1C#N 1308591024 DYAXGHFBFXERJL-UHFFFAOYSA-N 438.291 4.970 30 10 IJEE C#C[C@@H](CCC)NC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1311450608 DDLUUIWCTXGMKZ-FPOVZHCZSA-N 427.639 4.671 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1 1312736263 LWQSUPSKDAUPPW-UHFFFAOYSA-N 432.564 4.702 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CCCC1 1315278148 HIKNGQXYGJVRNZ-HXUWFJFHSA-N 437.588 4.560 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)C1 1320933030 SXFFOJLZPQQBFP-IBGZPJMESA-N 433.430 4.767 30 10 IJEE C#CCN(C(=O)[C@@H](C)CSC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1353636010 VEQVFWGLLVWTLD-FZMZJTMJSA-N 436.293 4.624 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1sc(C)nc1C 1358878439 WQGYBUWIILXJHD-CQSZACIVSA-N 425.627 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1358890733 UXPSKTBCPJGYPP-GGXPGOJBSA-N 434.462 4.542 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC1CCOCC1 1358906852 VRECOHXLJRNPKP-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCC2)C1 1358916448 LSBVYTMPFYZDDA-UHFFFAOYSA-N 449.382 4.727 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1358934046 NRINWIMUKMBZSP-SANMLTNESA-N 436.600 4.575 30 10 IJEE C#CCSCCn1c(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)nnc1C(C)(C)C 1359061634 HUDXGBDZIUQWBI-NHCUHLMSSA-N 426.630 4.546 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)CC1CC1 1359077623 HAMWVLTYRHVVSQ-OAHLLOKOSA-N 435.366 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC 1359093777 SKBLUSCCXWGNLB-KSSFIOAISA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)C(C)(C)C 1359108847 FUXPPQVQRKNHJV-UHFFFAOYSA-N 446.661 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOC(C)(C)C 1359112327 GXDHXZSWZHQPFA-LJQANCHMSA-N 449.640 4.610 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccccc1OC 1359118283 ZCRWGBLLAFXYBW-GOSISDBHSA-N 442.361 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359185803 KBZCSXZZRQTJHB-INIZCTEOSA-N 439.501 4.759 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359210754 GMTBPMKGDZNXGL-QVKFZJNVSA-N 437.371 4.602 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359214923 PNPYRISGPAWFMP-AQNXPRMDSA-N 447.624 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC1(CCOCC)CCC1 1359236640 UAUPYRYVNFKCDT-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CCCC(C)C 1359256119 VRDATLZAVXPRLX-UHFFFAOYSA-N 446.555 4.506 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCC[C@H]1C 1359262185 LAJYIIZTRLGCSC-ZHRRBRCNSA-N 444.004 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@H]1C 1359264702 MUSKYQRQECUNAK-MJGOQNOKSA-N 428.627 4.857 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(C)OCCc2sccc21 1359268816 DLANQGUEUBERHB-DEOSSOPVSA-N 436.581 4.682 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)c1nccs1 1359276479 DRIMNLJQBKFLHC-SFHVURJKSA-N 444.564 4.905 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2(C)CC2)C1 1359314894 JSLYDZLCTFMXET-AWEZNQCLSA-N 437.407 4.741 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H]2COC3(CCCCC3)O2)c1 1435688444 DWVVTTIRVWTOLL-FQEVSTJZSA-N 426.900 4.810 30 10 IJEE C#CC[C@@]1(C(=O)OCc2cc(F)c(C(F)(F)F)c(F)c2)CCCN1C(=O)OC(C)(C)C 1439486513 PMXMSZZYIOYHGB-FQEVSTJZSA-N 447.400 4.820 30 10 IJEE N#Cc1cc(Cl)c(C(=O)NCc2nc3ccc(Br)cc3o2)c(Cl)c1 1452551328 FMYQEIZLUPLWBO-UHFFFAOYSA-N 425.069 4.699 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2cccc(OC)c2)s1 1455506875 VKECYUJMOPFAMP-IBGZPJMESA-N 445.585 4.931 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@H](CO)c3ccc(F)cc3)c2C#N)C1 1460141188 HXRNNDDFPGGMMI-OXQOHEQNSA-N 443.588 4.562 30 10 IJEE COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cccc(OCc3ccccc3C#N)c1)CC2 1462563497 AZJLJYXLGSTDST-SFHVURJKSA-N 442.515 4.914 30 10 IJEE CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1462891091 DFFJZSHIWCTWLY-UHFFFAOYSA-N 425.323 4.582 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4cccc(C)c4)c3C(F)(F)F)cc21 1463118667 FAVDUPWDIKQUAM-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)cc2n1 1467351583 ADZFLHZPIDDVES-AYOQOUSVSA-N 426.561 4.736 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 1468112654 MWUNXMYZBARDSU-QHCPKHFHSA-N 425.548 4.759 30 10 IJEE C=CCn1c(SCC(=O)N2CC(c3ccc(F)cc3)C2)nnc1-c1ccc(Cl)cc1 1468360996 HOKPAZJJTWCJFX-UHFFFAOYSA-N 442.947 4.642 30 10 IJEE Cc1ccc(Oc2ccccc2CNC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1468682720 CGNWPKSHLIAFDW-UHFFFAOYSA-N 432.549 4.752 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1469857837 YRISOKDUISUEEF-YSSFQJQWSA-N 437.531 4.917 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccccc3F)C2=O)nc2sc(C)c(C)c2c1=O 1472929475 XBQDZMFSCHSPEO-KRWDZBQOSA-N 443.569 4.688 30 10 IJEE Cc1nc2c(s1)[C@H](N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)CCC2 1473248747 GNUBOQZVCBGXFK-OAQYLSRUSA-N 433.581 4.679 30 10 IJEE CC1(c2cccc(CNC(=O)Nc3ccc([C@H](C#N)c4ccccc4)cc3)c2)OCCO1 1475950270 GLPUDEIMTXWEKJ-XMMPIXPASA-N 427.504 4.883 30 10 IJEE COc1ccc([C@H](Cc2ccccc2C)NC(=O)NCCc2ccc(C#N)cc2)cc1OC 1477651239 ARHWTGRFZPNVKR-DEOSSOPVSA-N 443.547 4.710 30 10 IJEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)cn1 1502220787 GOBINIXAGOHMHK-SFHVURJKSA-N 445.596 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H]1CCCCS1 1507522216 BMLUULBEFKPHEF-AZUAARDMSA-N 442.629 4.876 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1507572419 JBEPEPYAIUSPBB-SANMLTNESA-N 431.584 4.887 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ncccc1C 1507641754 KCWHSMMFCIFDGA-UHFFFAOYSA-N 431.952 4.638 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1507900138 HDGCYNMZUMFVLY-WZONZLPQSA-N 440.588 4.570 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C=C)CC1 1507948052 NNNFLXWURVGQLU-FQEVSTJZSA-N 429.609 4.761 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCc1cccs1 1507998330 FLOMDJCKYZKVTG-OAQYLSRUSA-N 433.581 4.541 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CC2)n1Cc1ccnc(C(F)(F)F)c1 1508025226 NBWQUZYMILGMKB-UHFFFAOYSA-N 441.501 4.928 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)cn1 1509825238 DKJBBULZASNOCQ-LJQANCHMSA-N 444.583 4.920 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](CC)[C@H]2C)c1 1517653949 BVJPCDYFZNRUGD-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)CCCN1C(=O)OC(C)(C)C 1519698245 PSGXGTZQUGBPLQ-HXUWFJFHSA-N 437.418 4.578 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3c4c(ccc3s2)CCCC4)CCCN1C(=O)OC(C)(C)C 1522854508 BKAWEAQXNMPGEE-XMMPIXPASA-N 439.581 4.907 30 10 IJEE C#C[C@H](NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1ccc(Br)cc1 1525054793 RRGGZIPVJIKBSZ-SFHVURJKSA-N 441.712 4.974 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1525639056 AGOQCDCEFTZFFG-HXUWFJFHSA-N 432.609 4.796 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cc(OC)c1OC 1527042970 UXJTWFONFXPTJX-UHFFFAOYSA-N 442.559 4.925 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)c(C#N)cn1CC 1529321771 GBCUEYABVPZRQE-GOSISDBHSA-N 445.519 4.553 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 1533137901 GBCYGIXATYMIPG-UHFFFAOYSA-N 432.863 4.663 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)CCCN1C(=O)OC(C)(C)C 1534383133 UIWYOLIKDVNKQY-RUZDIDTESA-N 447.539 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1539029026 GRANKSNXDLNVOP-ROKPMTFOSA-N 438.616 4.674 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(OC)C1CC1 1539147515 AWGRXCCIFHNPOX-GAJHUEQPSA-N 430.980 4.573 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1539359768 RLVRAPHTPGSGRK-HOTGVXAUSA-N 436.478 4.715 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCO[C@H]1CCCC[C@H]1C 1539361672 AOQPJKVXLDXGTK-KNQAVFIVSA-N 433.556 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1539539940 AACYIURAOZNBDQ-DRMXPCRNSA-N 444.526 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCOC1 1539569853 VUOJWQYALZYSTO-OPAMFIHVSA-N 449.382 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@H](C)C1 1539622975 JJEKJAYDDGMHIX-LHUKNYEISA-N 430.980 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1539643534 MNABWTJKWHMHHR-XWQURZDVSA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1539682072 GAJVPCTXHBHAMJ-MHORFTMASA-N 430.515 4.698 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC#N)CCC(C)C 1539704341 ANBWZBUJXIYGIG-UHFFFAOYSA-N 444.624 4.735 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CCC 1539793708 KMHJRNFXHNWRQA-INIZCTEOSA-N 442.995 4.861 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCOCCOC)CC1 1539877744 DFGYZZVNLYWMFW-GOSISDBHSA-N 444.645 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539912102 CQEQUVXZKQLNNQ-MSOLQXFVSA-N 442.608 4.615 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1539982199 RGVXMPUAXJHUBZ-IBGZPJMESA-N 445.405 4.927 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1cccnc1OCCC 1540120970 OYCQKCOHHXWRTD-UHFFFAOYSA-N 444.583 4.872 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1 1540127042 NTBOCPUTVZLASF-YADHBBJMSA-N 430.600 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1540161961 JCYVXXMTGBROEH-KNQAVFIVSA-N 438.572 4.694 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1cccs1 1540187007 KWZAQFXNCWIIDA-GOSISDBHSA-N 426.586 4.649 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 1540404944 LUYBPHVCYNDWHY-FQEVSTJZSA-N 436.512 4.576 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCC2(CCCC2)C1 1540866118 COLPRLDBHICNGU-UHFFFAOYSA-N 448.398 4.715 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)CC2CC(F)(F)C2)cc1 1540877406 UGBAKSLZVGGBBV-UHFFFAOYSA-N 428.483 4.941 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2cc(C)ccc2OC(F)F)C1 1540891667 XYJZAFZPQBWRPO-LJQANCHMSA-N 432.515 4.675 30 10 IJEE C=C[C@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)c1ccccc1 1541025477 ZZUNKBYBIGVTKS-NRFANRHFSA-N 447.560 4.937 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1ccsc1)N(C)C 1541106888 CBULCLFJFAAFFG-VQIMIIECSA-N 434.569 4.652 30 10 IJEE CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)n[nH]2)c1C 1544321936 CBSBAWANNYJSJN-LERMDLETSA-N 430.556 4.773 30 10 IJEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)CC1 1555362785 CVSSWIBJQSYPKS-UHFFFAOYSA-N 441.988 4.637 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1556115316 AUIYVVIJHKZQKX-KRWDZBQOSA-N 441.494 4.515 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)c1 1557005041 DHAOZZSRDALDEG-UHFFFAOYSA-N 425.897 4.573 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1557475769 VGIFQKWGHPLNKQ-BTYIYWSLSA-N 434.508 4.630 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccc1)C1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1563831915 ZWQDYDWFKKTDKU-HSZRJFAPSA-N 439.600 4.962 30 10 IJEE C=CCC1(NC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CCCC1 1564207145 TYYNDNHHUAQYJU-NRFANRHFSA-N 448.535 4.646 30 10 IJEE C=C(Cl)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1565817055 BBAUXZHMGZKIRB-UHFFFAOYSA-N 426.925 4.637 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1)c1ccccc1 1568623066 DJOOIURTHIVJHJ-JOCHJYFZSA-N 435.549 4.712 30 10 IJEE C=CCC[C@H](NC(=O)CCn1cnc2c(C)cccc2c1=O)c1ccc(C(F)(F)F)cc1 1583129384 SKGMFBDYAGYNIF-FQEVSTJZSA-N 443.469 4.938 30 10 IJEE C=CC[C@@]1(C(=O)OCc2ccc(-n3cccn3)cc2C)CCCN1C(=O)OC(C)(C)C 1583284854 VDOCLSFEOFPAKF-DEOSSOPVSA-N 425.529 4.570 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)c1 1583564645 VIAGXSIMPPMDMB-SFHVURJKSA-N 434.561 4.670 30 10 IJEE C=CCOc1ccc(CN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)C(C)(C)C)cc1 1585443499 VARLPFLUEDPLMY-UHFFFAOYSA-N 440.494 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OCCC 1587592981 GNSGLDBXLISFND-HNNXBMFYSA-N 444.366 4.942 30 10 IJEE CSc1nc(O)c(C(=O)N2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)cc1C#N 1587849818 XHQQNEVXJHBXEW-HXUWFJFHSA-N 435.471 4.637 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 1587867295 WPAFGRWZEAQBCY-FQEVSTJZSA-N 429.561 4.501 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(OCc2ccccc2F)CC1 1593740542 CEDZFROTNMDEFU-UHFFFAOYSA-N 442.579 4.853 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](COC)C1 1593840266 DPNOKTNGJXJIJK-HNNXBMFYSA-N 439.785 4.631 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccccc2OC(F)F)CC1 1594237797 WGMKEZXSQGHZDH-FQEVSTJZSA-N 432.515 4.766 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1594492067 RVLMSBFQCDRNDX-HKBOAZHASA-N 445.652 4.643 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1594545195 RIZZJEYWCBHYBK-WMZHIEFXSA-N 436.922 4.795 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1Cc2cccc(Br)c2C1 1594617422 ZFPDDNOIWWFJQI-QGZVFWFLSA-N 431.378 4.811 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCSC1(C)C)C1CC1 1595026438 KYPHFOXWBHVVBG-CYBMUJFWSA-N 436.423 4.722 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCC1CCC(OC)CC1)C1CC1 1595058132 BJRYHEKIYOGWBX-UHFFFAOYSA-N 430.543 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CCNC(=O)OC(C)(C)C 1595161587 FGNOEAQEKSVCFR-UHFFFAOYSA-N 445.633 4.790 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1cccc(C(=O)NCC)c1)c1ccc(C(F)(F)F)cc1 1616670478 NERJSEYDVRAMTO-FQEVSTJZSA-N 433.474 4.691 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)cc2n1 1617511101 FHUHFMQOTUCDMK-IYGUDBDMSA-N 448.954 4.909 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cc3c(nc2O)CCCC3)cc1OCC 1621040470 YOTLCMPVYWLRKK-UHFFFAOYSA-N 447.373 4.682 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(CCN4CCC(C)CC4)c3)n[nH]2)c1C 1623170950 DNNMOXXDNRLUFI-UHFFFAOYSA-N 446.599 4.603 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1OC 1625538532 KDFJVYWGRTXKOP-TZIWHRDSSA-N 431.330 4.874 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)C1CCOCC1 1626126845 PTSNUSYCVCBUEM-HXUWFJFHSA-N 447.304 4.930 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)s1 1626840486 YLMDIPXTIMARSD-MRXNPFEDSA-N 426.508 4.573 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1Cl 1627401242 BAMQVGVXGPMOEY-UHFFFAOYSA-N 431.895 4.911 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 1633435444 UMTZPCWCWGYHRN-QAPCUYQASA-N 426.479 4.922 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2cccc(O)c2)CC1)c1ccc(C(F)(F)F)cc1 1633471630 SPXQZNKVIQQXPR-NRFANRHFSA-N 433.474 4.950 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 1637132601 MGBNTUMUSCMHLQ-LJQANCHMSA-N 434.989 4.995 30 10 IJEE C=CCn1c(Sc2cc(OCC)ncn2)nc2sc(-c3ccccc3)c(C)c2c1=O 1639216959 KJJXHZJBOKRLOD-UHFFFAOYSA-N 436.562 4.959 30 10 IJEE C=CCC[C@@H](CO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1640585090 JQWWDLKRKOLLMY-FDWYHIAWSA-N 437.521 4.579 30 10 IJEE C=CCCC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CC[C@H](C)C3 1640586551 CZRXLSNFIHPDMA-AWEZNQCLSA-N 428.579 4.852 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)[C@H](C)CC)nc2sc(-c3ccccc3)cc2c1=O 1640814029 RIURTKLCYOQUMY-RDTXWAMCSA-N 428.579 4.991 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 1644457081 OYTPMTSAVBBBNS-QGZVFWFLSA-N 432.549 4.706 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN[C@H](c3ccc(Cl)cc3)C2)c1 1647958082 HHRKGNBCSXWMSR-QHCPKHFHSA-N 431.923 4.577 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C)c(C(=O)c4ccccc4)c3)n[nH]2)c1C 1649190473 NKIPTOILGHAJAS-UHFFFAOYSA-N 439.519 4.868 30 10 IJEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1cc(Br)c(C#N)cc1F 1651561564 AFFMGMIKNPVVRO-MEDUHNTESA-N 442.329 4.632 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)c1 1662186624 BXHVJKSSZQSHIM-PISNEZEASA-N 445.382 4.967 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 1673577517 DYDMGFCQFFSKLV-OAQYLSRUSA-N 447.604 4.865 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1ccccc1 1674078167 RZTJFTUNUWGFNK-INIZCTEOSA-N 444.329 4.999 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccc(OCC)cc1)c1cccc(Cl)c1)C1CCOCC1 1679273643 AELVUXYNUZUFBQ-DHIUTWEWSA-N 426.944 4.556 30 10 IJEE C=CCC1(O)CCN(C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)CC1 1679622958 MDFRTZRILKPQHR-UHFFFAOYSA-N 435.406 4.764 30 10 IJEE C=CCCC[C@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 1679651299 SJZHQPHEJWMRLU-VWLOTQADSA-N 433.596 4.865 30 10 IJEE C#CCN(C(=O)NCCCc1ccccc1F)[C@@H]1CCOc2ccc(Br)cc21 1680785507 LTTKAQGZYLLGLM-HXUWFJFHSA-N 445.332 4.689 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(Cl)c1 1680875410 RGEDIGPNALTHIJ-QHCPKHFHSA-N 429.907 4.840 30 10 IJEE Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1686076825 DDZUPQQEADYYGS-NBGIEHNGSA-N 443.547 4.642 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1csc(-c2ccccc2)n1 1689857682 ANIYMERVXWHVAD-KRWDZBQOSA-N 433.606 4.755 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1690032703 HJFSXLIPNQNHGC-GSLIJJQTSA-N 445.655 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(SC)c1 1690038349 MMAXTPMSLBAFAM-UHFFFAOYSA-N 443.620 4.871 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCC(C)CC1 1690271386 NRUKETRKSZRZHS-UHFFFAOYSA-N 437.588 4.726 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2ccncc2)CC1 1690368812 MXYYVOBPECQKPV-UHFFFAOYSA-N 438.373 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 1690426188 FMPBTFFPFMQLEW-UHFFFAOYSA-N 427.568 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N(C)C1CCC2(CC1)OCCO2 1690426357 LLDFAVCNNYVBOO-UHFFFAOYSA-N 440.588 4.678 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COC)C1)c1ccccc1 1690441912 IVQMOWQCYBCSGU-GHTZIAJQSA-N 437.975 4.826 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1690446963 IFSLASLZMWQADV-DEOSSOPVSA-N 449.643 4.818 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1690453619 FKZWDFHOAXAREK-QFIPXVFZSA-N 449.559 4.864 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1690472375 MIQBLFMUCSHWHF-HKUYNNGSSA-N 438.494 4.769 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@H](C)C1 1690503694 LHXHAANCGWBBDC-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1Cc1ccc(OC(C)(C)C)nc1 1690607805 UTHDGICHEMIWQG-UHFFFAOYSA-N 435.572 4.994 30 10 IJEE CCO[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)C(C)C 1696011853 BXYJYXQWRCJGLT-QFIPXVFZSA-N 439.604 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(C)=C(Br)C1 1705699262 DXJOQOYVFLXPTP-HKUYNNGSSA-N 435.410 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCOC1CCCCCC1 1705716956 ZLBZNAFXTXWLOF-QHCPKHFHSA-N 440.588 4.932 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705812104 QZGIPNFGBHZMPR-RPWUZVMVSA-N 448.615 4.505 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1705875307 OCEKTZVVOHIOGS-ILBGXUMGSA-N 429.568 4.610 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC=CCO1 1705876746 JFKTXOWQDVUYJA-KRWDZBQOSA-N 435.355 4.687 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1F 1705889729 ABSNFGKQFNFCNB-ROUUACIJSA-N 443.567 4.915 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2CC(F)(F)C2)C1 1705914890 GCPSQAGFKBERCO-AZUAARDMSA-N 446.542 4.862 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2cccc(C)n2)C1 1705920381 WJRMEVKDOBRQQX-DEOSSOPVSA-N 445.611 4.970 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCC(C)C)C1 1705921896 BATIEUPLJQGXJA-QFIPXVFZSA-N 447.583 4.513 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2cccnc2)C(C)C)C1 1705923531 IIYKBAKNXKLORI-DQEYMECFSA-N 445.611 4.793 30 10 IJEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1711125630 HZPCPUVCICDCST-FUHWJXTLSA-N 430.434 4.735 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1722389093 PLTVKWYSNFCDSH-ULQDDVLXSA-N 443.414 4.668 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1722451119 GGETWMJPKQJLQZ-ROUUACIJSA-N 430.593 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722470355 UCSIFPGPLLFOKS-PBDKAQRYSA-N 444.627 4.565 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722527820 AWASDPCWGKDNGD-YADHBBJMSA-N 426.605 4.664 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1Cc1ccnc(OCC(F)(F)F)c1)C1CC1 1722648408 QZOYGMYRNUEAEG-UHFFFAOYSA-N 443.473 4.793 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C)c2ccccc2C1)C(C)C 1722664470 AJMIUVQQWWUCFE-VWLOTQADSA-N 448.659 4.701 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1ccc(Cl)cc1 1722691026 ORTJVSMHERUQEY-IBGZPJMESA-N 445.995 4.868 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1740569183 DKYDQMPGFAWUTM-ISKFKSNPSA-N 444.627 4.576 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1740572423 KZZNTGHQRFALMH-FQEVSTJZSA-N 432.572 4.947 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)CN1CCOCC1 1740769218 HIWIRMJRDFGYCL-OAQYLSRUSA-N 439.648 4.613 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740804814 FTIUNLYFCIPYLF-UHFFFAOYSA-N 443.260 4.587 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(CC)C1)c1ccccc1 1740855156 UGIDTCMKXKTQGB-LVXARBLLSA-N 444.583 4.912 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(F)c(F)c1 1740864070 DGTAJKKTZRABIX-UHFFFAOYSA-N 436.510 4.788 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1 1740870506 GUBHVZXQEVNJPG-OAQYLSRUSA-N 436.629 4.878 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@](C)(CC)O1 1740919485 HWCCCMFEBJMZAU-CPJSRVTESA-N 437.563 4.963 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)CC1)C(C)C 1740927844 XUXVGJBQYDPIEE-NRFANRHFSA-N 443.039 4.928 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)CN2CCCCC2)cc1 1742292474 FLQNGAUPAKIYMB-NHCUHLMSSA-N 440.661 4.597 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)C1 1743020116 GYJJTQGSLQDRNL-BVYCBKJFSA-N 432.572 4.728 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCCCC1 1746886723 FSCKZDNECKBJAN-RUZDIDTESA-N 437.588 4.966 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)CCCC1 1748493272 FZOXEVCMEZBOOG-HXUWFJFHSA-N 437.588 4.734 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1COC 1748914019 DREQGIONZFRORV-GOSISDBHSA-N 434.609 4.786 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCN(C(C)C)C(C)C 1749060646 XZBXCAKFZFTFEB-XMMPIXPASA-N 444.023 4.718 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1749091704 DQVYFARCYALAPH-RTBURBONSA-N 445.405 4.946 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1749096174 HJXDALFLULCGIU-ZIAGYGMSSA-N 432.391 4.665 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCc2ccc(Cl)nc2C1 1749207077 BJKCNMASWSMBOY-UHFFFAOYSA-N 441.988 4.766 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749220254 CEILHHKSBLZEHD-SFHVURJKSA-N 441.576 4.826 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@H]1C 1749238791 BRAHPYBQXAZPHX-JKSUJKDBSA-N 439.387 4.991 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCCCC)CC1)c1ccccc1 1749247878 YZQXEPRNFQQWIR-UHFFFAOYSA-N 437.632 4.713 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C)nc2)CC1 1749292029 NQBYGENFMCGECF-FQEVSTJZSA-N 433.556 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1749356867 ASJRYPJWZHDRLM-UYAOXDASSA-N 441.620 4.970 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)c1ccccc1 1749382500 NCHXHOSZARJMNN-MZEQIWSPSA-N 448.615 4.637 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 1749386870 MRJYDVROVAPNOM-UHFFFAOYSA-N 449.590 4.959 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC1(C)C 1749548832 LDJHLLJCPUESSH-WZONZLPQSA-N 430.618 4.619 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1OC 1749552498 DEIBJLLMEQKRKR-FXAWDEMLSA-N 443.642 4.703 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc2c(n1)CCCC2 1749576920 ZXVPHBUXMMGEOA-UHFFFAOYSA-N 435.522 4.648 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1Cc1nc(C(C)C)cs1 1749584831 RZVNDVJSJRQJAV-FQEVSTJZSA-N 437.613 4.645 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC1C[C@@H](C)O[C@H](C)C1 1749592290 GKSGRSPFMOKOLW-NHCUHLMSSA-N 438.616 4.591 30 10 IJEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1751091070 FDMVMVNFKVOIDX-MFEFFIJZSA-N 427.618 4.565 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](CC(C)C)N(C)C 1760162871 IQXRTSZTKXYXME-CTNGQTDRSA-N 446.039 4.734 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(c2ccccn2)CCC1 1760178053 XRHGJURYGHMGNS-UHFFFAOYSA-N 443.595 4.875 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1CC1=CCCCC1 1760253000 LGXJZLYPNDFRCL-UHFFFAOYSA-N 431.005 4.810 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@](C)(O)c2ccsc2)CC1 1760382541 SHFWLKPYRCQSAS-UZUQRXQVSA-N 442.560 4.683 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC(F)F)cc2)CC1 1760384894 HTLWVRWDSAYMLS-UHFFFAOYSA-N 431.874 4.800 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2ncc(CC)s2)CC1 1760392296 LIDMOKQWWHBXLK-UHFFFAOYSA-N 437.613 4.892 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)C(C)C)CC1 1760409738 FSCKTTXYTBXZHU-UHFFFAOYSA-N 444.023 4.896 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)c1nc(C)cs1 1760468226 MPOUKNRIAITYFC-HNNXBMFYSA-N 429.615 4.770 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](OC)[C@H](C)CC)C1CC1 1760470238 YPLBZDPWQBKHHU-DNVCBOLYSA-N 433.394 4.924 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OCC(F)(F)F)C1CC1 1760473934 JIIXNTMQXNUZMT-LJQANCHMSA-N 436.478 4.664 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760486951 FNYIUXVEOXDHST-NTKDMRAZSA-N 427.662 4.995 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1760501485 RLCVYWIIFMKBRV-UHFFFAOYSA-N 447.926 4.863 30 10 IJEE CCC[C@@](C)(O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(C#N)CC1 1763721550 AOABEXGIGUVYJU-RUZDIDTESA-N 439.604 4.661 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1771449973 GIVBLMLDQPIILC-CNNODRBYSA-N 441.645 4.990 30 10 IJEE O=C1Nc2ccccc2/C1=C1\SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 1772733149 KQPSDODJZUKZOV-LBCIXFEASA-N 432.892 4.866 30 10 IJEE COc1ccc2nc(SCC(=O)Nc3ccc(C)c(Br)c3)c(C#N)cc2c1 1858204819 TUMTZVKPMPOCGF-UHFFFAOYSA-N 442.338 4.917 30 10 IJEE CC(C)c1ccc(-c2cc(O)nc(N3CCC(C(=O)Nc4ccc(C#N)cc4)CC3)n2)cc1 1858553831 XDQGHOLFVWHJRI-UHFFFAOYSA-N 441.535 4.699 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(OCC(C)C)cc1 1861769085 GDPMIHGSHSRMJF-LADGPHEKSA-N 446.632 4.554 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Cl 1862432355 CDEKSAXOKNZJNH-LJQANCHMSA-N 434.319 4.997 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862462888 BDLVFTIJYDGQSF-NRFANRHFSA-N 447.453 4.842 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(F)c2)c1 1862556167 QECSRGHEHUWQCW-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(F)cc1F 1862561879 YYOOHAIUNMBCOV-RCDICMHDSA-N 434.442 4.887 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 1862659132 YNMZKRDPSIHMMQ-HXUWFJFHSA-N 442.298 4.717 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(OC)c1 1862717126 XCTZUXHHBOAYTC-HSZRJFAPSA-N 429.472 4.621 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3F)C2=O)cc1 1862970088 GVHKLMYDDLYNOK-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COc1ccc(C)cc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2ccccc2C#N)C1=O 1863136430 NTRGNEITBIOQHC-UHFFFAOYSA-N 448.482 4.753 30 10 IJEE Cc1cc(Cl)cc2c(O)cc(C(=O)Nc3c(C#N)c(-c4ccccc4F)nn3C)nc12 1866511512 VMONMJYKFYDBJK-UHFFFAOYSA-N 435.846 4.566 30 10 IJEE CC[C@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1cccc(C#N)c1 1866881130 WQUWNIZNQVVDCO-NRFANRHFSA-N 438.487 4.822 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2)cc1 1870146801 ITFMBIZDGIPIPF-UHFFFAOYSA-N 437.931 4.933 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)c1 1870154493 VCRFCVVDBHRJGA-UHFFFAOYSA-N 436.686 4.669 30 10 IJEE CCCOc1cn(Cc2ccccn2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181333 KHQWFPCGBHOWRB-UHFFFAOYSA-N 434.565 4.565 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc(C)c2)cn1CCCCC 1870731392 VCUBAHDZYVVUJK-UHFFFAOYSA-N 437.584 4.538 30 10 IJEE C=CCn1cc(OCc2ccc(C)cc2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871205876 VUDCXAMXCJEVFK-UHFFFAOYSA-N 431.536 4.801 30 10 IJEE CCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551539 UFGYCFZQVNOBLK-UHFFFAOYSA-N 447.425 4.594 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871912471 WGGSCYKFXRFIMI-WZONZLPQSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CCCC 1872111790 BHKKTSLDAZAOSF-ZDUSSCGKSA-N 440.915 4.694 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CCC 1872200439 SJYVZIWAPHVSQG-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872515422 UAGXAAQGMHQABC-DEOSSOPVSA-N 434.561 4.860 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1OC 1872760962 BZINNQXYGPHYJP-MPNRVQBSSA-N 435.461 4.625 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 1872763035 CJJUYPCUUUHKKV-YXOJNZSOSA-N 435.461 4.625 30 10 IJEE OCCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1 1874206695 OWHKXHZEENJCNT-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(F)cc1 1874408720 MKLBXOMZXZBFMB-ZMOGYAJESA-N 432.565 4.714 30 10 IJEE COc1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1CCCO1 1874449527 FBOBZTXHEAXIJK-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874457079 ZHQKMCCLGGDWHF-RGVLZGJSSA-N 437.363 4.573 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccccc1Cl 1874504671 YYJAEBZZWOYARB-YDZHTSKRSA-N 427.961 4.805 30 10 IJEE CCOc1cccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c1 1874511864 FDECMCSSVWXVHJ-LPYMAVHISA-N 425.514 4.883 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CC2)n1/N=C/c1cccc(Cl)c1)c1ccccc1 1874523153 FJJPFQFLJCTZRY-GMJSKMFWSA-N 439.972 4.661 30 10 IJEE COc1ccccc1OCc1nnc(S)n1/N=C/c1ccccc1OCc1ccccc1 1874563554 JNRJKPAPHBKRKS-MFKUBSTISA-N 446.532 4.616 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(CC)cc1 1874650340 HXMWKDPGTZSSNP-AREMUKBSSA-N 443.591 4.591 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc2c(c1)OCO2 1874704009 SMIHMPUYTFLYQS-FPYGCLRLSA-N 434.419 4.987 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C(C)(C)C 1875195088 NMYCGRWHGUSVLL-FMIVXFBMSA-N 442.508 4.959 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl 1890352162 ZGZMIVBIBAXWIW-UHFFFAOYSA-N 436.739 4.585 30 10 IJEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1900214364 MLRCFYMLDWZNKP-MOPGFXCFSA-N 435.487 4.858 30 10 IJEE C=CC[C@@H](C)[C@H](NN)c1sc(Br)c(Br)c1Br 1903161886 TUQLNJXQNWUWFU-XRGYYRRGSA-N 433.007 4.752 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 1950349507 YRFYEKDZTZBFPU-RUZDIDTESA-N 427.589 4.741 30 10 IJEE CN[C@H](CC#C[Si](C)(C)C)c1cc(Br)ccc1I 2067289344 PEOSVCFESGDHBS-CQSZACIVSA-N 436.207 4.585 30 10 IJEE CCNC(=O)c1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079196700 XRTFHHLEYRLTDV-UHFFFAOYSA-N 448.136 4.561 30 10 IJEE CCOc1ccc(C(F)(F)F)cc1-n1nc(/C=N/O)c(Br)c1C(F)(F)F 2079231934 JEPKDJWUDSTSDC-GEVRCRHISA-N 446.145 4.879 30 10 IJEE Nc1cc(-c2cc(C(F)(F)F)ccc2F)nc2c(Br)c(C(F)(F)F)nn12 2081473424 PQRGEUVEGMPMSE-UHFFFAOYSA-N 443.120 4.918 30 10 IJEE Oc1c2c(nc3c(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)(F)F)nn13)CCSC2 2081513820 KUJCDGCCZJGQBB-UHFFFAOYSA-N 441.303 4.606 30 10 IJEE N#Cc1c(F)cc(Br)cc1NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2086054672 UQPOVWPCBSYHGG-RNFHDMOYSA-N 444.304 4.719 30 10 IJEE CC1(C)C[C@H](CNc2ccc(C#N)c(Br)c2F)N(C(=O)OC(C)(C)C)C1 2106016600 IYQQDDWRZAJXRI-CYBMUJFWSA-N 426.330 4.907 30 10 IJEE C#CCN(C[C@H](Cc1cc(Cl)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 2110494112 DHAXZJFUGQOCHP-SFHVURJKSA-N 443.813 4.884 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c1 2132675048 FAYNMTXJGCQDTE-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C=CC1(CNC(=O)c2cc(Br)ccc2I)CCCC1 2133088203 ZNXPMYIAUSPBOU-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE N#Cc1cc(Br)ccc1O[C@@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2162006297 NVAISGNAPRWAHO-FPOVZHCZSA-N 430.298 4.682 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3cc(Br)cnc3C#N)CCCCC[C@@H]12 2167613450 NBMSKPPHGMDWJW-YLJYHZDGSA-N 435.366 4.840 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)cc(C#N)c2)CC[C@H]1C(F)(F)F 2174812536 MBDDVPAISMRGNZ-HUUCEWRRSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1cc(Br)cc(F)c1C#N 2174814314 GVZLRPZQFYZTAG-DLBZAZTESA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)CC1(C)C 2180932192 MSHKGIWYQMMYMX-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(Br)ccc1C#N 2181045378 MIQMTZOFPSOGHX-CQSZACIVSA-N 438.366 4.836 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2nc(C(C)C)[nH]c2Br)C1 2183010510 BEWBCZBIIOZCER-HNNXBMFYSA-N 441.414 4.807 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2ccc(Cl)c(Br)c2)C3)OC1(C)C 2194122028 YBGIEBSGHIDKCR-DJJJIMSYSA-N 440.574 4.801 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C 2235731483 QCPORMDXDCVZRZ-PWIZWCRZSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@H](N)CC#CC2CCCC2)CCN(Cc2ccccc2)CC1 2261103217 OUWGOOUOCKNYRW-XMMPIXPASA-N 439.644 4.847 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCCNC(=O)OCc1ccccc1 2264196339 QNPKNDPOXBMCOH-JOCHJYFZSA-N 443.385 4.875 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267179370 PEJPDDZQJPVCKS-UHFFFAOYSA-N 442.365 4.939 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2ccc(Br)cc2)cs1 2278794820 ZDGSAJIZGMYCAA-MLGOLLRUSA-N 437.359 4.576 30 10 IJEE C=CC[C@]1(COc2nc(OC)ccc2Br)CCCCN1C(=O)OC(C)(C)C 2287687980 IWQSIEKKYNDFFZ-HXUWFJFHSA-N 441.366 4.967 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(C)(F)F 2296222415 RNBCKLPDGYSXNS-SJORKVTESA-N 445.348 4.717 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C1CC1 2296224291 INFAUTOHAAKEDL-RBUKOAKNSA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)NCCC1([C@H](N)C#Cc2cccc(Br)c2)CCCCC1 2296282269 UTWBYUIIZIEBQF-LJQANCHMSA-N 435.406 4.993 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2cccc(Br)c2)cn1 2296284538 RSKMCWMMYIPRTJ-GOSISDBHSA-N 430.346 4.657 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC 2296298772 NLYGPPWBLFSLOC-ZCNNSNEGSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2296300783 MMLCOILXNOPHRQ-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C1CCCN(C(=O)OC(C)(C)C)CCC1 2296308856 NOVJHGUJLYXTAE-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 2296565367 IJSFPSFXZNEQFS-GOSISDBHSA-N 429.259 4.916 30 10 IJEE O=C(C[C@@H]1SC(=NN=CC=Cc2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl 2297332225 LWTVXADIWHQWKN-INIZCTEOSA-N 447.347 4.609 30 10 IJEE C=CC[C@@H](O)[C@H]1CCN1c1sc(Br)c(Br)c1Br 2299413802 USMSRGQFIKCVOS-RNFRBKRXSA-N 446.002 4.551 30 10 IJEE COc1ccccc1C=C1SC(=NN=Cc2ccccc2O)N(Cc2ccco2)C1=O 2314819217 VNSKGZIZNPEEIJ-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)N1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317347895 FJGHWFCFNDFLFD-IZGBJUCLSA-N 427.354 4.619 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(CCCCN(C)C)CO2 2322122642 GRWJHNJUKLEQAT-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)NCc1ccco1 2323126483 ZPRVZEZNWHJHQL-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)cc1 2323466178 WLGVHSFRHDGAGM-UHFFFAOYSA-N 444.487 4.749 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2325092491 ZKUFKMNUGLGIFX-IBGZPJMESA-N 438.476 4.508 30 10 IJEE O=C(C=Cc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F 2325541063 PWBYYSWHVXNZEU-UHFFFAOYSA-N 427.067 4.572 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)cc1 2325706269 CGAAXKCWUPVBFI-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1sccc1C 2326269414 SODBQMIVYQOOGY-UHFFFAOYSA-N 428.583 4.829 30 10 IJEE CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cccc(Br)c1 2329265117 OPXPIZNMLWETBQ-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(C)C 2330873210 SLVZUQVDQPKSLF-UHFFFAOYSA-N 427.453 4.768 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c1 2330989737 GTRXPFWTYUKSGH-GOSISDBHSA-N 443.916 4.866 30 10 IJEE C(=Nn1c(SCCc2ccccc2)nnc1-c1ccco1)c1ccc2c(c1)OCCO2 2331211354 PDUYJPYWDDRAPK-UHFFFAOYSA-N 432.505 4.526 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2)c1 2331376651 COPHXXRWNVIVSF-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1c(F)cccc1Cl 2331630696 FIZRWVAYSBYGLB-UHFFFAOYSA-N 449.914 4.775 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2340987118 GXUMTRXLFPVCDR-FHWLQOOXSA-N 441.381 4.536 30 10 IJEE N#Cc1cc(F)cc(OCc2cc(I)ccc2Br)c1 2341768690 NCVBRWRTSDKPDS-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE N#Cc1cccc(COCc2ccc(I)c(Br)c2)c1 2350071231 FHASMIOODLWFFA-UHFFFAOYSA-N 428.067 4.642 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2360196671 VHDHONWXYRQHBJ-FUOQNJDISA-N 434.374 4.635 30 10 IJEE CCOc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(C#N)cc3)nc12 10580840 HYBIXNCLYVEQCA-UHFFFAOYSA-N 431.521 4.500 30 10 IJEE Cc1ccc(C(=O)/N=C(/Nc2cccc(C)c2)N2CCN(Cc3ccccc3F)CC2)cc1 15729075 PMJKIIPTOALABK-UHFFFAOYSA-N 444.554 4.869 30 10 IJEE COC(=O)c1ccc(NC(=O)CSc2nc3c(cc2C#N)C[C@@H](C(C)(C)C)CC3)cc1 20467864 VLPAKPIDOOOXMF-SFHVURJKSA-N 437.565 4.622 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NC[C@@H]2CCCO2)cc1 22691228 DOCBUYLOKSCWDN-IBGZPJMESA-O 447.571 4.863 30 10 IJEE CC(C)(C)[C@@H]1CCc2c(sc(N3C(=O)C[C@@H](Sc4ccc(N)cc4)C3=O)c2C#N)C1 22867865 FEMLRBATASVYHN-BFUOFWGJSA-N 439.606 4.777 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)cc2)c1 34955310 HBACKSDWGUYTNS-JYRVWZFOSA-N 448.471 4.836 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)N1C[C@H](C)O[C@H](C)C1)n2Cc1cc(F)ccc1F 35927885 LEPPJXIWOCLBOI-CALCHBBNSA-N 440.490 4.782 30 10 IJEE COC(=O)c1ccc(/C=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)cc1 39866537 SQPMNDSEIMUJPH-PJTLKFSUSA-N 442.566 4.570 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1ccccc1C#N 95087394 YDCKULQRSHQZEI-NRFANRHFSA-N 445.567 4.840 30 10 IJEE FC(F)C(F)(F)C(F)(F)C(F)(F)CNCC(F)(F)C(F)(F)C(F)(F)C(F)F 105188632 HRYSKSZIQYNOJT-UHFFFAOYSA-N 445.141 4.918 30 10 IJEE CCN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2F)C1=O 105615228 VNJUOXIDBVTOCH-MRXNPFEDSA-N 440.327 4.795 30 10 IJEE COc1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1OCc1cccc(C)c1 169903193 JCHDELPDSOFCSX-ZVHZXABRSA-N 444.940 4.548 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)c1 169957561 RLOLQDJQTLLSQS-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccc(C)c2)cc1 169970588 SDHGMBWQDUVBBS-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(F)cc2)cc1 170062118 AROYPQADXDCSPO-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2c[nH]c3ccccc23)cc1 170074903 AEZDRYPXHZCKFK-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(C)c1 170141417 UNVYQYQNYTWHBC-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)c1 170169028 GJWIZLOEQYDQIJ-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2)c1 170241334 DQADXDLBIYVKNB-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170250798 UNSZWIHLZOXNPZ-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)c1 170270758 FFRBMSKDPCGAOK-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@H]2c2ccco2)c1 170278799 CUPRCXZNRNFWOV-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)c1 170284889 LARFXFSHXIMATR-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1sccc1C 170319339 WWGYPWQVJDVYMO-FQEVSTJZSA-N 440.565 4.654 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC)c1 170323180 UGOGPGRWAHRFRT-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccccc2OC)c1 170333014 MWNODJCPIMKERK-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(OC)c2)ccc1OC 170439219 UXOZMXVICUETHE-QHCPKHFHSA-N 439.508 4.618 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)c1c(OC)cccc1OC)C2=O 210090359 XJZADOIOQJJGDH-OEAKJJBVSA-N 446.455 4.938 30 10 IJEE Cc1ccc(NS(=O)(=O)c2ccc(NN=Cc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 254741436 RUDZGBSUMFLRHZ-UHFFFAOYSA-N 442.472 4.598 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1CCC 407023291 QQPLGKPGXRHRNI-HZPDHXFCSA-N 429.403 4.566 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 410347115 YUIPIAIRDGZVOR-FQEVSTJZSA-N 427.342 4.811 30 10 IJEE N#CCC1(CNC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 430713295 GZWDJHUYCASFQY-UHFFFAOYSA-N 432.839 4.673 30 10 IJEE N#CC1CCC(CNC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)CC1 441142219 PPUKXFJJYXDZKD-UHFFFAOYSA-N 438.575 4.853 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)c1 446902934 SQLGEMMWIDUFPX-QHCPKHFHSA-N 429.520 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCO1 461138197 DMTMPCLDPDVTLL-LJQANCHMSA-N 433.581 4.783 30 10 IJEE CN1CCC[C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1 465584858 HZWNKDOVWAQPNF-XLIONFOSSA-N 435.515 4.501 30 10 IJEE C=C(C)[C@@H](NC(=O)c1c(F)cccc1I)c1ccc(F)c(F)c1 484446574 XPQOSZWCBLRQFC-MRXNPFEDSA-N 431.195 4.756 30 10 IJEE CSc1nc(O)c(C(=O)Nc2nc(-c3ccccc3)c(Br)s2)cc1C#N 492418916 OTNXOBRLXZSOSZ-UHFFFAOYSA-N 447.339 4.519 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 505675019 SXGXDEFMYIWJQQ-OAHLLOKOSA-N 437.487 4.625 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](c2ccsc2)C1 508907681 ONODMVLGOUKUEA-JOCHJYFZSA-N 448.548 4.943 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508944241 CNYLILYIBVWMEU-INIZCTEOSA-N 434.569 4.870 30 10 IJEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 509010366 IPHRUVRWFUHVSG-HXUWFJFHSA-N 439.441 4.599 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])s2)c1 526490671 XEXPBIDPOPSMCK-NRFANRHFSA-N 447.472 4.984 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(OCC)c1 526802703 KVWPHMMYGJRFKE-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC)cc1OC 526816693 BWMUOQDCBGAGAV-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE COc1cc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc(Cl)c1O 526817046 NKVFMHCSRGZGBI-HOEBFWFUSA-N 427.288 4.613 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 543716747 VFTYCBOFMGNDNF-NRFANRHFSA-N 427.482 4.863 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2cccs2)C1 558992174 SZPBGRZBNUPWGT-LPHOPBHVSA-N 428.533 4.773 30 10 IJEE C=C(CC(=O)c1ccc(F)c(F)c1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585826067 NZGFEFRCYQNUOO-UHFFFAOYSA-N 441.522 4.537 30 10 IJEE Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1[N+](=O)[O-] 609379017 NFPXEEIFHQBLCX-NSHDSACASA-N 425.919 4.609 30 10 IJEE N#Cc1ccc(F)cc1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687753436 MJYKYOZWDAPPSH-QHCPKHFHSA-N 430.435 4.752 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2c(-c3ccc(F)cc3)noc2C)c1 744698419 QRPZMHUOVSBKKF-GOSISDBHSA-N 449.482 4.898 30 10 IJEE C#CCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 768994454 BVSSLXSHCKCFDH-GOSISDBHSA-N 444.716 4.965 30 10 IJEE C/C(=C/c1ccc(C)cc1)C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 778907940 OYCCGYCHAOWVMW-ATVHPVEESA-N 431.492 4.512 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(F)cc1 812894903 QSTAGZIMNPDNQR-KKSFZXQISA-N 425.504 4.585 30 10 IJEE COc1ccc(C(C)=NNc2nc(SCc3c(C)cc(C)cc3C)n[nH]2)c(OC)c1 1083921599 ASGKWUBGYMNXHY-UHFFFAOYSA-N 425.558 4.876 30 10 IJEE Cc1ccccc1NC(=O)CCSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1 1084445374 ADHFEKHXYINAOT-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE C#CCN(C(=O)c1ccc(CSC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1126152135 YVOBEYAXJWGXFT-LJQANCHMSA-N 430.367 4.911 30 10 IJEE COc1ccc(N(CCc2ccccc2)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1126254810 BZUXJOIQZMGDFK-QFIPXVFZSA-N 443.522 4.808 30 10 IJEE C#CC[C@@]1(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCCN1C(=O)OC(C)(C)C 1126309562 IVIXUDCTJSJZDE-VWLOTQADSA-N 449.576 4.696 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1126327019 HXDWNAIOASLBEJ-XKDCRVNJSA-N 436.980 4.878 30 10 IJEE C#Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)c1 1129715478 WCSFAIDKBJPAET-UHFFFAOYSA-N 446.572 4.593 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccccc1 1134659304 XJBDAIRKHORIHP-PMERELPUSA-N 437.418 4.884 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1143719743 FLCORYZRQBUYSC-ZRNYNZGJSA-N 429.442 4.597 30 10 IJEE C=C1CCC(CNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)CC1 1154416278 DITVMQFHEOINRA-UHFFFAOYSA-N 448.972 4.626 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)c(F)cc1O 1161335300 FYTSZBYXMBOBFO-UHFFFAOYSA-N 445.082 4.873 30 10 IJEE C=CCn1c(SCc2ccc(Cl)c(OC)c2)nnc1[C@@H]1COc2ccccc2O1 1164611953 USBRCCKOKRAJGN-IBGZPJMESA-N 429.929 4.931 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](CC(=O)OC(C)C)C(C)C 1199750351 FVFSPWGVWGJWEV-QHCPKHFHSA-N 437.540 4.934 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(C(F)(F)F)ccc1Br 1204403550 DQYQGXIKMYJMHI-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C=CCCCN(CC)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1214219228 YKOWNPXUEMSDAS-OZIGNCPNSA-N 433.618 4.610 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCc2c(Br)ccc(Cl)c2C1 1215510230 MIEPSHMTWUTCNW-UHFFFAOYSA-N 437.696 4.844 30 10 IJEE Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c(C#N)cc1N(C)C 1219019854 BXRLAZKGHLWBJQ-DEOSSOPVSA-N 438.535 4.731 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 1222659646 HBGDXGZGXKJNQW-VXKWHMMOSA-N 437.584 4.515 30 10 IJEE C#CC[C@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccccc1 1224386932 GMBLIVYKHMBIEY-XZOQPEGZSA-N 435.568 4.879 30 10 IJEE C=CCc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc(OC)c1OC 1264291972 UZZUMZVMDOTZOC-UHFFFAOYSA-N 444.531 4.923 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)cc2C1=O 1264646477 AHZCIMRZFJYKJA-JOCHJYFZSA-N 430.891 4.641 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCCC[C@H]1C 1286281595 IJZOWTGYGUEKPM-QZTJIDSGSA-N 431.987 4.850 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)c1 1286309622 SXMRZXKSSYNHKA-HKUYNNGSSA-N 447.505 4.751 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1286316615 DICXENTYIWXPOB-DEOSSOPVSA-N 435.959 4.549 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286341657 HOBLHVKCTBRZNF-UXHICEINSA-N 434.506 4.781 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cnc(C)s1 1286437098 HMPDYDKBRMMKNT-UHFFFAOYSA-N 434.594 4.650 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC1CC(OC(C)(C)C)C1 1286446314 HDMSRSVDEIMXIJ-UHFFFAOYSA-N 429.008 4.966 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@H](C1CCCCC1)N(C)C 1286458266 OQPGJHZYQUPKMD-XMMPIXPASA-N 437.607 4.520 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286500094 YWAHTFMQJWOEKW-QFIPXVFZSA-N 445.592 4.544 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1286541870 DYCADIOFHZQTMJ-QGZVFWFLSA-N 443.345 4.661 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Cl)s1 1286560779 IWFIIUCSTJHJND-OXJNMPFZSA-N 444.004 4.981 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@H](C)C1 1286605598 PKDDVJYMBSJDCT-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1286640543 KSYZSNIWJXAUGP-IBGZPJMESA-N 436.991 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](C)C3(CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286675836 DFHVXMAAOVEDPF-NLFFAJNJSA-N 430.637 4.938 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1286690529 LMJMJYRDOOWYFY-RBUKOAKNSA-N 427.618 4.785 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCC[C@@H]1C 1286714679 SMWWRCXQYLQNQY-IUKKYPGJSA-N 432.996 4.862 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC(CC)(CC)C(F)(F)F)nnc1-c1ccco1 1288030009 UUYYYLHDVOSUSZ-UHFFFAOYSA-N 430.496 4.691 30 10 IJEE C[C@]1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(CCC#N)CC2CC2)CCCS1 1289050466 AVYCUYBSUQJXMT-JOCHJYFZSA-N 447.555 4.962 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2N(C)CCCC2(C)C)cc1 1289860509 AYVGTKODXKCUOD-PZJWPPBQSA-N 440.661 4.595 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(Br)cc1F 1298927161 ZDKLYKUGUOYCTH-CQSZACIVSA-N 444.304 4.830 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C)cc(CNC(=O)OC(C)(C)C)c2)c(OC)c1 1299699136 QEPGJZIWVNMSEU-UHFFFAOYSA-N 440.540 4.774 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCCC[C@@H]1C 1300276058 GAJXMXZVALBNMX-OALUTQOASA-N 445.558 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1sccc1C 1300285917 BKHGDTHLPQUHPR-ZDUSSCGKSA-N 433.350 4.723 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCSC2)C1 1300352419 KSPOTJSKHUOKAX-OAQYLSRUSA-N 445.430 4.845 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)c1ccsc1 1300606191 IOEOJFOKZOFPIK-HJPURHCSSA-N 440.638 4.560 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCCCO1 1300638435 RTASKIRXYISNDN-QGZVFWFLSA-N 437.371 4.583 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)[C@@H](C)C1 1300740726 BVGWYCZUUFSHLH-IRXDYDNUSA-N 437.638 4.836 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CCCCC1 1300870489 SSVRSQDTEKDWMV-SIKLNZKXSA-N 439.560 4.994 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1301164464 UKXDHPFBQBEMJB-NRFANRHFSA-N 428.540 4.941 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(F)(F)F)CC1 1301240564 CKKIPXDOVDFPSY-UHFFFAOYSA-N 428.886 4.970 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1 1301351355 QJMQRDAFGLTREI-HXUWFJFHSA-N 439.579 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(C)C 1301362673 IBNFWPXTTJBPDO-UHFFFAOYSA-N 434.569 4.894 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](C)O[C@H](C)C1 1301600986 LNHQRAYWVOOUAB-ZACQAIPSSA-N 432.659 4.664 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1312223192 KLSDVHRYILPOPF-GOSISDBHSA-N 427.545 4.806 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 1313239596 LHFYAOLQGHCKGZ-NRFANRHFSA-N 445.604 4.991 30 10 IJEE CCO[C@H](CCn1c(CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C1CCCC1 1314067309 HJCHFLURCLLKME-XMMPIXPASA-N 433.600 4.991 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Oc2ccccc2)c1 1348375589 YUQDDLALAUEQLO-UHFFFAOYSA-N 427.909 4.941 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Br)ccc1CC 1351079865 JZZWQUBGTFXRBQ-UHFFFAOYSA-N 433.298 4.754 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2cccc3ccccc23)c(C(=O)OCC)c1C 1352312857 YCQAAJRVXQIYQH-UHFFFAOYSA-N 437.517 4.910 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)Oc1ccc(C)cc1 1358941830 ZJTRLDBSDPKPBM-OALUTQOASA-N 434.609 4.977 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCCS1 1358988020 ZPMNKXBVFHDVMY-AZUAARDMSA-N 438.666 4.880 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCCN1CCCC[C@H]1C 1359015190 LDKPAOIZZZXMDS-LEWJYISDSA-N 425.596 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCc2cc(Br)ccc2C1 1359090579 CWOBKTHDNFRDPG-QUCCMNQESA-N 445.405 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@H](C(C)C)C1 1359094759 FLYHSCVRBXGCKT-HBFSDRIKSA-N 448.036 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=O)N(C)CC 1359107376 KRPVVGXPGIUXGC-GOSISDBHSA-N 448.011 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1359186011 QSXCJDHLGAJARY-FZEVHQGJSA-N 439.629 4.821 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2(C)CC2)C1 1359314895 JSLYDZLCTFMXET-CQSZACIVSA-N 437.407 4.741 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OC)C1 1359337689 XYOPWLRAMPAXLL-APWZRJJASA-N 437.009 4.606 30 10 IJEE CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1438381921 DQEXMJYHCHEZSI-QHCPKHFHSA-N 443.522 4.761 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC 1442724576 UAMKETPEYCQDKU-RIYZIHGNSA-N 432.524 4.995 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F 1455230047 ZXZAAFFREUTRTO-AEFFLSMTSA-N 447.375 4.535 30 10 IJEE C#CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CCCCC1 1456186756 ZDFQWPQVKAKVKO-UHFFFAOYSA-N 436.986 4.658 30 10 IJEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H]1n1cccn1 1460147922 CVKDEIUDQSDIEZ-XPNTWCBSSA-N 446.576 4.833 30 10 IJEE N#Cc1cc(NCc2cn(C[C@H]3CCCO3)nn2)ccc1Oc1ccc(C(F)(F)F)cc1 1461563967 HDRVMADJWYTYDG-HXUWFJFHSA-N 443.429 4.752 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 1465781149 INLIRBULGJPZBI-GOSISDBHSA-N 446.320 4.709 30 10 IJEE C#CCC1(NC(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCC1 1477236610 LTAUUQUEGUQICL-NRFANRHFSA-N 431.536 4.562 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507595654 SPSZQKCHTWSDLS-DEOSSOPVSA-N 449.643 4.671 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1c(C)coc1C 1507694706 QQCGQFRZAPEHOS-UHFFFAOYSA-N 440.975 4.969 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCCC1(C)C 1507694750 RKIAJAORINXBQX-AREMUKBSSA-N 438.616 4.690 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](C)c1c(C)noc1C 1507770386 SSKODBDRAHPKSX-AVRWGWEMSA-N 433.556 4.566 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC=CCC1 1507793505 ASYAREQMYDLJOH-DNVCBOLYSA-N 447.352 4.594 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1507827014 OHKNSJCSTDNDNK-LJQANCHMSA-N 439.541 4.677 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSC[C@H]1C 1507838242 NNFIOCDVGOQIGF-CQSZACIVSA-N 427.401 4.786 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN(C)[C@@H](C)CC)CC1 1507882504 USFAOLSZHKXJTH-RBBKRZOGSA-N 425.621 4.922 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1507947692 IKHDNJIPGBVGTA-QZTJIDSGSA-N 445.633 4.818 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1507979754 CFVWAAARJSGFLJ-UHFFFAOYSA-N 448.011 4.792 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1507999101 XMCWTXQZLUATGX-FQEVSTJZSA-N 434.588 4.551 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C)c1ccsc1 1515522651 FRCMKTFTIRITQY-GCJKJVERSA-N 434.613 4.950 30 10 IJEE C#CCSc1ccc(COC(=O)c2cnn(-c3ccccc3)c2Br)cc1 1522392834 QHWATMIASKBWKH-UHFFFAOYSA-N 427.323 4.717 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 1526208518 HSAAZKHTUKPGGA-KKSFZXQISA-N 426.358 4.677 30 10 IJEE C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1526244890 CSAHXQOHYYZDER-QQTNTEGQSA-N 427.479 4.931 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)c2C#N)CC[C@H]1C 1527534213 DGYVQQPBHFEIGY-FRRDWIJNSA-N 429.492 4.575 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c(OC)c1 1531474571 ZIVNDQQWWUTGKN-UHFFFAOYSA-N 431.414 4.646 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 1536324459 VFHIETJGIVRJEK-NMWGTECJSA-N 441.560 4.657 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)cc1OC 1536805422 GXRLAHNDDRIOEL-PCQKWUTHSA-N 434.580 4.786 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1536873072 YQWRZWNETOFGIT-RXVVDRJESA-N 442.556 4.858 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C)c1ccccc1 1537027500 YZSYEAVASVCWBM-QFIPXVFZSA-N 428.598 4.899 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@@H](C)c1cc(F)ccc1C 1537548963 FZLFDDAURLNOOQ-ZDUSSCGKSA-N 436.277 4.850 30 10 IJEE C#CCOc1ccc(C(=O)N(C2CC2)[C@H](C(=O)OCC)c2ccc(Cl)cc2Cl)cc1 1538513183 WNLAHCCHBJYODI-NRFANRHFSA-N 446.330 4.914 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)CCc1ccc(Br)cc1 1539062511 BMCMWPLFQBIBSF-UHFFFAOYSA-N 438.373 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1539643988 CQUWDYIZHZQKBH-IAECCPNBSA-N 432.515 4.586 30 10 IJEE C=C(Cn1c(N2CC=CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1539770836 QUVFTIXPIXTVLM-OYRHEFFESA-N 435.572 4.529 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N(C)CC(F)(F)F 1539787438 OISBLIKJCJFRHB-UHFFFAOYSA-N 432.874 4.884 30 10 IJEE C=C(Cl)Cn1c(N(Cc2ccc(Cl)cc2)Cc2cnn(C)c2)nnc1C(C)(C)C 1539819257 ATTJEWHZCCZHMK-UHFFFAOYSA-N 433.387 4.922 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1539836097 NUPVIBZTNBUWBA-NHCUHLMSSA-N 437.632 4.867 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2CCC(OC)CC2)CC1 1539836467 RRCLJNOGEWRPTR-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@H]1C 1539906874 VDTVBTFUHMCNIT-CQSZACIVSA-N 436.398 4.642 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](COC)C1 1539952943 BRXIOUDGBXKHSY-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](OCC)C1 1540029734 XSYDLGUISNMKRY-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1540059138 OCHMKAZYFWDNOE-NHCUHLMSSA-N 432.616 4.874 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C(C)(C)C)C1 1540910288 DSRNRJIAODQYBO-FQEVSTJZSA-N 426.586 4.862 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1540913572 OTHRTSQGLVABCX-LEWJYISDSA-N 441.645 4.742 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 1542132526 ONBWYLMMXWHIKG-QFBILLFUSA-N 449.979 4.676 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1542421731 SAXSBEBDCDYUOI-SFHVURJKSA-N 442.903 4.720 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 1542809163 CEOVBIFMLMKSFH-PUHATCMVSA-N 447.535 4.864 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(CC(C)C)CC1 1543401565 FUHSKRWRUIMEMR-UHFFFAOYSA-N 448.571 4.796 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(C)cc2Oc2ccccc2)c1 1545474489 MKGYJZADDJZNQT-UHFFFAOYSA-N 433.529 4.514 30 10 IJEE CCOC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)CCCC1 1547927907 AANUXCVNBDCXKF-UHFFFAOYSA-N 431.943 4.827 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2=O)c1ccc(-c2cccc(C#N)c2)cc1 1561460207 ARHUAOQSEVIYNY-KRWDZBQOSA-N 430.529 4.784 30 10 IJEE C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)Oc1cccc(Cl)c1 1562533170 GJNDZNIBKJYXPR-ZDUSSCGKSA-N 430.295 4.640 30 10 IJEE C[C@H](NC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1564468141 HFIAHRWSOWGASI-MBSDFSHPSA-N 430.552 4.519 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@H]12 1565538172 ZXKJZOJZCOHWGC-GCSUUFGQSA-N 429.004 4.776 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)CC#CC)c1)c1ccc(C(F)(F)F)cc1 1566675988 QTAFQMFTSVMFOY-NRFANRHFSA-N 449.494 4.940 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(F)(F)c1cccc(Br)c1 1587182203 HXEKXXLTOOIKIP-UHFFFAOYSA-N 426.305 4.923 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1587804567 OTJPIOWSUYTZKU-UHFFFAOYSA-N 440.952 4.969 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1587879734 ZOHAEAHSHKMDEN-PKTZIBPZSA-N 436.600 4.671 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1588292910 GJUOGMLVCIJDOA-REWPJTCUSA-N 431.584 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCCOCC1CC1 1589163573 KTIKYEAQIGLKKM-JOCHJYFZSA-N 443.389 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1589545139 LQNDAICHHNIJHO-XMSQKQJNSA-N 426.561 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccsc2Br)CC1 1594083262 KHDHKMITYMPMCK-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCSC2)C1 1594461525 TWGFIXSJLGPCSH-QFIPXVFZSA-N 427.574 4.789 30 10 IJEE C=CCCCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1594644457 BREALHOCYZHHRB-RUZDIDTESA-N 426.605 4.897 30 10 IJEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1594767369 UIFBRIBIFKATMZ-UHFFFAOYSA-N 428.577 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1c(F)cccc1SC 1595161847 NMMUVTOVEAQPRL-MRXNPFEDSA-N 444.601 4.945 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)nc1 1597902514 CQPUAFHCKMMEAN-UHFFFAOYSA-N 435.409 4.555 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 1598033082 BRAXJMYMQMPKKU-UHFFFAOYSA-N 446.613 4.643 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)c1ccccc1 1598378956 BFAQILXUMZKRLN-DEOSSOPVSA-N 439.515 4.705 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)C1 1606718721 GKOSSEUUKQJEKS-FYYLOGMGSA-N 434.632 4.811 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(COc4ccccc4)cc3)CC2)c1 1611456446 DDJLLQWNZHAJKA-UHFFFAOYSA-N 425.532 4.532 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1OC 1620839554 YYIWHARMYVXLSL-UHFFFAOYSA-N 436.383 4.931 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 1621766328 FKTJAPWYPIEOPQ-SFHVURJKSA-N 426.435 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 1622699230 QGYWCBWLHGJZHQ-LIRRHRJNSA-N 432.318 4.739 30 10 IJEE CN(C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C1CN(C(=O)OC(C)(C)C)C1 1624852856 HVVWFYGPESIIBY-UHFFFAOYSA-N 438.553 4.792 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCS[C@@H](C(F)(F)F)C1 1625542725 PAXCRIBKDRJDGL-CYBMUJFWSA-N 425.270 4.526 30 10 IJEE C=C1CC(C)(C(=O)Nc2ccc(NC(=O)c3ccccc3I)cc2)C1 1630916373 GVBYSBHXDUOUGZ-UHFFFAOYSA-N 446.288 4.838 30 10 IJEE C[C@H](CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H](C)CO)c1ccccc1 1638028531 FFTMKTQKEVPNPJ-RTWAWAEBSA-N 428.532 4.764 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(Br)c1 1645819760 WQBKFJGMIBACIH-KBPBESRZSA-N 425.367 4.904 30 10 IJEE C=CCOc1c(Cl)cc(CNCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1OC 1649091965 XMQVNUNDKCFYLW-UHFFFAOYSA-N 433.980 4.520 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1650972041 GGDYTCVQCXVBML-FSEPTYSPSA-N 437.521 4.579 30 10 IJEE N#CCCN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)Cc1ccco1 1652627358 HPZRECZISYSSEN-UHFFFAOYSA-N 447.560 4.805 30 10 IJEE COc1ccccc1C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C 1654098652 HYPNGIKYOAXWEA-FQEVSTJZSA-N 425.598 4.693 30 10 IJEE C#CCN(CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)Cc1ccccc1 1654394911 RTUFZTKDCOKZDX-SANMLTNESA-N 432.589 4.540 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)n(-c2ccc(C#N)cc2)n1 1661695133 BTWHROVBNLLWHC-NRFANRHFSA-N 447.514 4.866 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 1661905347 XFQFTSZIGRZFCD-UHFFFAOYSA-N 433.501 4.769 30 10 IJEE C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1673265044 AVJUVSXJQJTVGU-SJLPKXTDSA-N 436.512 4.720 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 1673582017 NWBNASLTEWEOQF-SQJMNOBHSA-N 427.589 4.749 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)CC1 1680304177 DYRPZVIKRBCRIE-UHFFFAOYSA-N 445.350 4.718 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H]1c1ccccc1OC 1682763960 VXQVERHPSKQYFG-PKOBYXMFSA-N 433.321 4.851 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCc2c(F)cc(Br)cc2C1 1683258726 FKAHPLSCQZMQLG-HXUWFJFHSA-N 428.305 4.605 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1 1684582911 AUJBCYGQZJZZHY-QGZVFWFLSA-N 435.549 4.700 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1nccs1 1690059219 LQZAATYRPCDHHR-HOTGVXAUSA-N 429.977 4.791 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1690161538 JCCZTPKNYDECOA-RUZDIDTESA-N 438.641 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCN(C(C)C)C1 1690193387 KPKOWGORBFALEB-LSCGWGKXSA-N 433.644 4.933 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1690222528 YIJJNDVJWKLTKG-ZDUSSCGKSA-N 434.338 4.634 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C[C@@H](C)CC 1690234405 CRDVQSRDFQWRLI-USXIJHARSA-N 427.431 4.978 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(Nc2ccccc2Cl)CC1 1690249299 WRKRAJDSNPUDDZ-VGSWGCGISA-N 429.996 4.556 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(COCC(F)(F)F)cc1 1690272823 SSHOOYSKZVLZFM-LJQANCHMSA-N 438.494 4.659 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690281344 MVFUIUTZLYAIPK-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1690511167 RRRYEVSHOOKQFF-JOCHJYFZSA-N 445.007 4.835 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1cccs1)N1CCCC1 1690529711 XSXPCXAQTHORET-FQEVSTJZSA-N 443.567 4.668 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CSCCS1 1694240217 FLSVLQGAZCBDBW-NHCUHLMSSA-N 441.670 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(F)ccc1F 1705711268 FYLKSMYVBHRVFK-UHFFFAOYSA-N 436.304 4.765 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)c1ccc(C)cc1 1705730239 FJLRHYPEYFYJRI-UHFFFAOYSA-N 430.350 4.705 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2cnccc2c1 1705733598 RMUXVNSGTMRFCK-UHFFFAOYSA-N 448.958 4.771 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(CCOC)CC2)CC1 1705765042 WWLPXDPDUPLCAU-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC)c(Br)c2)CC1 1705768332 PJVBEPBYRLTYPA-UHFFFAOYSA-N 431.378 4.912 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1705791990 KEVQYYOJBSYNFS-AZUAARDMSA-N 428.577 4.855 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)=C(C)C1)c1ccccc1 1705795445 KFKDNBODNRKECN-QFIPXVFZSA-N 442.567 4.832 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C/C=C\c1ccccc1)C1CC1 1705856438 SIFNZLGWHHJMRE-JCFIZXFYSA-N 449.599 4.917 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCC[C@@H]1C 1705868051 ADBZIOJBZWFQJN-UUOWRZLLSA-N 440.588 4.813 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCO[C@@H]2CCCC[C@@H]2C)cc1C 1707531600 CJLTWDGLODAUAT-XKCSPQBFSA-N 439.604 4.808 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722361892 JMVPZYNNCHILMG-MBSDFSHPSA-N 446.064 4.804 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1722482634 CLGKDCQTCFWMGK-IBGZPJMESA-N 440.345 4.599 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCO[C@H]1C 1722594951 HLJJQYVLZJOPFK-FNZWTVRRSA-N 440.632 4.965 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCC1 1722605114 VYFXTEWMTMCMOY-HXUWFJFHSA-N 447.624 4.712 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccsc2Br)C1 1722712957 CDENKKWUWQDJHE-MRXNPFEDSA-N 437.407 4.589 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CCOc1ccc(Cl)cn1 1723771295 DBWZTTSGVHOOEZ-HNNXBMFYSA-N 436.903 4.557 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1726964327 BZPHZRVNAXXZRF-AXHZCLLHSA-N 444.624 4.569 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(N(CC)CC)CC1 1740570961 JBEWTBKIWARRIY-UHFFFAOYSA-N 446.599 4.714 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1740681944 GPYCBBSDBIBTGL-WOJBJXKFSA-N 438.616 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCC1CCOCC1 1740724951 KPTCVUIQCFVUJG-KBMIEXCESA-N 440.563 4.756 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cccs1 1740762378 CXMLYLNNSLDMDX-WMZHIEFXSA-N 438.597 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCOC[C@@H]2C)CC1 1740820214 VOZPYONDXZPCKY-LSDHHAIUSA-N 437.407 4.598 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740843968 AECNIJXBEUYWIX-OAQYLSRUSA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CC 1740850488 HNOBFGLBJTWJMK-MOPGFXCFSA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1sccc1C 1740917432 SDZYRYJVPMHOMD-DEOSSOPVSA-N 438.597 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCCC1 1740923663 RGDFEKUHARJWST-UHFFFAOYSA-N 440.588 4.957 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC1(COC)CCCCC1 1740924363 OGJYUWYVHNEFRW-HXUWFJFHSA-N 430.618 4.981 30 10 IJEE C[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccc(C#N)cc1)N(C)C 1741832218 CTFMEFGMVVNSPF-GOSISDBHSA-N 448.640 4.734 30 10 IJEE CO[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)(C)C 1748432142 AMFLBWFKTNHTFZ-BWKNWUBXSA-N 448.571 4.791 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1(OC)CCC1 1748882241 MAFPJPFEKDYTOW-LJQANCHMSA-N 436.625 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(CC)Cc1cnn(C)c1 1749118873 KNQWDIPWKKHNNQ-SMIHKQSGSA-N 448.615 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(COC)CCC1 1749146923 SCQPLPYZQMFFNO-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@H](SCC)C1 1749174992 KQTJFIAQBJIPSJ-INIZCTEOSA-N 438.439 4.734 30 10 IJEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C1CCCCC1 1749229306 JDSHSOVFJFXVQD-JOCHJYFZSA-N 426.561 4.542 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1749288134 MSRKCJZCZWLKJT-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749406119 ADHPCSRJGHNINT-QFIPXVFZSA-N 434.588 4.868 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1749433454 KNCMTTMYACIYGS-TZIWHRDSSA-N 442.677 4.691 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC=CO1)C1CC1 1749510958 CBUUISDQPYKYAA-KRWDZBQOSA-N 445.361 4.564 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC[C@H](C)N1CCCCC1 1749545210 XRUXRGFZQSXCPZ-NZQKXSOJSA-N 441.595 4.726 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1749760659 KIUPOGMTNDSQRP-OAQYLSRUSA-N 446.686 4.971 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCCCSC 1760105971 WGZKPLUJJSCPAJ-AWEZNQCLSA-N 439.398 4.838 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760131140 OUWNXAWGMIVBPZ-RLLQIKCJSA-N 434.506 4.780 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1760278561 YNLOXTRTJJCSSS-UXHICEINSA-N 445.032 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(CC)CCC 1760289217 KRUDLBJJTLYWSH-RUZDIDTESA-N 439.673 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCCCCOC 1760291288 JJFPSBHOKOKRBB-JOCHJYFZSA-N 445.405 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCCN1CCCCC1 1760331287 GVQUMWKLTYPEGZ-UHFFFAOYSA-N 446.437 4.986 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)F)C1 1760354222 SHFWGTAGHBKIOU-AWEZNQCLSA-N 428.886 4.812 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCc2sc(C)nc2C)CC1 1760405609 ZDDLNVJUFUYUDB-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2OCCC2(C)C)CC1 1760405664 BFVWFEHGXOMFED-OAQYLSRUSA-N 442.629 4.797 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1760425756 VFWDAYPVHMSJEU-VABKMULXSA-N 429.653 4.967 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760432633 QNQMQRQRYWUFKL-KSSFIOAISA-N 437.357 4.674 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](COC(C)C)C1 1760433414 FNKIVXYMFKKMMF-UYAOXDASSA-N 444.645 4.728 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCCC[C@@H]2CC)C1 1760537166 KNOQRSOBABYWPU-ZEQRLZLVSA-N 437.632 4.553 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)o1 1763929124 HOCAIRZUKVDFFP-QGZVFWFLSA-N 432.572 4.986 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861567330 AZPMQSVCAWZQSY-AXDNMFEOSA-N 430.589 4.623 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862398569 UYSKISIQGBNGQF-QFIPXVFZSA-N 433.504 4.580 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1Br 1862409165 DOJIKIUVVYQPQL-LJQANCHMSA-N 444.325 4.754 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862437351 PCJYDUBMBSUPAN-ZUOKHONESA-N 429.900 4.821 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)ccc1O 1862451011 VILRCTBPNLALNL-HXUWFJFHSA-N 429.900 4.679 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862478670 NSOKXKXRLITDSU-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1c(F)cccc1Cl 1862504941 GYXOUIBASFGJLY-HXUWFJFHSA-N 449.881 4.932 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(OCC)c(OCC)c1 1862541958 XHFHJHJMXJJBOH-HSZRJFAPSA-N 435.520 4.811 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862592479 DKUGMVJAONOXLK-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(C)c2)cc1F 1862636177 AUPGTCRVLSQBII-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2F)cc1F 1862641490 UQAYVBMLLFCRNY-FQEVSTJZSA-N 431.410 4.633 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c1 1862675486 MADHWBZJUUXWSI-HSZRJFAPSA-N 447.462 4.632 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862677296 CHWLZXCGDBKLEL-NRFANRHFSA-N 427.472 4.699 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(Br)c2)c1 1862708405 USVSYSQBWMZNHJ-LJQANCHMSA-N 444.325 4.692 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc(C(=O)OCc2ccccc2)c1C 1866125220 NOQXKRQICZEZND-UHFFFAOYSA-N 448.500 4.714 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccs2)n(-c2ccc(Cl)cc2)n1 1870002245 HCGVORXFYQFEKG-VAWYXSNFSA-N 425.945 4.813 30 10 IJEE CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(C#N)nnn1-c1ccc(Cl)c(Cl)c1 1870144622 IEWCJSCELPXLGH-ZDUSSCGKSA-N 444.322 4.975 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(F)cc1 1871017195 PZYQXUILKCSLMT-UHFFFAOYSA-N 445.579 4.865 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(CCOC(C)C)CO2 1871345280 CGWFDHLDOGFIFL-FMCGGJTJSA-N 432.520 4.680 30 10 IJEE C=CCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 1871584344 KSCOZEIAPTUKJQ-UHFFFAOYSA-N 428.584 4.657 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774409 QCAWINDKLLJZRF-GUYCJALGSA-N 440.908 4.878 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1F 1872775245 MIMPIHUCIQGDKV-ASKPUQFJSA-N 436.464 4.619 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(NCC(C)C)ncnc21 1873602593 JAXCQRVEJNOJMS-UHFFFAOYSA-N 433.434 4.836 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc(C#N)c2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 1873867030 JYGJADBATQWMLV-UHFFFAOYSA-N 438.483 4.890 30 10 IJEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cc(Cl)ccc1O 1874310698 JRAGOMZLTQCNFP-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccccn1 1874313516 YKYDXKDFLXPMLL-JVWAILMASA-N 447.539 4.781 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1 1874391606 MUOGTTMWEICARX-ZVHZXABRSA-N 442.972 4.758 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1)Nc1ccccc1 1874463826 DGBCFKFUUBADRA-YDZHTSKRSA-N 437.912 4.805 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc(C)c2)cc1OCC 1874497877 GDUYBGYSLNWZJY-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874509476 DXTOSIMRDFANOQ-UFFVCSGVSA-N 428.389 4.551 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)N(CC)CC)c2)cc1 1874595911 IODYQTJITXTWHC-RIYZIHGNSA-N 425.525 4.627 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)c1 1874709862 LYGFDAMIFWQXCI-ONNFQVAWSA-N 436.435 4.967 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875101232 PAFYFRILKCFGLP-ZHACJKMWSA-N 425.437 4.604 30 10 IJEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1[N+](=O)[O-] 1875194222 IPVSZOGJJUREDO-DHZHZOJOSA-N 443.452 4.612 30 10 IJEE C#C[C@]1(Oc2cc(Br)ccc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1903210126 XNDDUHFPCNJJGS-KRWDZBQOSA-N 434.252 4.860 30 10 IJEE C[C@H](c1cccs1)N(Cc1ccccc1)c1ncc(Br)cc1C(N)=NO 1914896444 CYMITDAPURABRG-CYBMUJFWSA-N 431.359 4.768 30 10 IJEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC(F)(F)F)c(Cl)c2)OC1(C)C 1981446483 YYCVAKNEKWTQJD-UHFFFAOYSA-N 426.675 4.603 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](C(C)C)N(Cc2ccccc2)C1 2029765632 WLAAQHCPIDQTFC-JYFHCDHNSA-N 442.648 4.758 30 10 IJEE N#Cc1ccncc1Nc1cc(Br)c(Br)c(Br)c1 2034332540 BBDFCPJIEQVBPJ-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2038636544 FFTFYNOSBSLWSP-FCHUYYIVSA-N 448.568 4.997 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Cl)ccc(Br)c1F 2058348583 CFNGZSQVPKPWDF-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]2CCCC[C@@H]21 2058935642 WMPIFZFNDSAOBZ-JLHGSKIFSA-N 448.568 4.996 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1Nc1cc(Br)c(C#N)cc1F 2105974789 SXUCGEGTPKCHQK-RYUDHWBXSA-N 426.330 4.763 30 10 IJEE C[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2118201877 VMFLEFWBPADZNN-TZMCWYRMSA-N 426.330 4.589 30 10 IJEE CC(C)[C@@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCN(C(=O)OC(C)(C)C)C1 2180960772 GTXWWXJUWCUSPM-HXUWFJFHSA-N 436.350 4.542 30 10 IJEE CN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)c1cccc(C#N)c1 2181044242 GVVHBVOBERZIPM-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)C#Cc1ccccc1Br 2235749309 JFDGYOXHBNRLCO-LJQANCHMSA-N 428.326 4.506 30 10 IJEE C#CC1(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CC(C)C1 2244946110 XWGBCXRUOYKZAU-MNNYHCPASA-N 444.575 4.858 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255541245 YXEGUWPVICPDJB-UHFFFAOYSA-N 438.418 4.545 30 10 IJEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1F 2255835913 ZKNDAKDFEABECX-SFHVURJKSA-N 425.353 4.874 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCCCC3)nc2)OC1(C)C 2267271973 VULDDRXRRSMHNK-UHFFFAOYSA-N 434.389 4.604 30 10 IJEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)CC(C)(C)C 2267491133 YRFHBFCHBKOWCE-UHFFFAOYSA-N 437.389 4.683 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267580805 KGOSPIHNUOBOEM-ROUUACIJSA-N 444.381 4.867 30 10 IJEE O=C(C#Cc1ccccc1Cl)c1cc(I)ccc1Br 2277778354 ULVCDAFDDRHKRW-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](O)C#Cc1ccc(Br)cc1 2278790505 NKLFMONIWOWESJ-SJORKVTESA-N 442.419 4.587 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2CC[C@H]2OCc2ccccc2)c1 2281940481 PSUVQQBOJXXIEH-BJKOFHAPSA-N 449.400 4.587 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C(=O)C#Cc2ccc(Br)cc2)(C(F)(F)F)C1 2296226719 IASSOYBFLFDPOX-SFHVURJKSA-N 446.263 4.559 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](N)(C#Cc2cccc(Br)c2)C(F)(F)CC1 2296284951 WUKONPJRXDSKCR-IBGZPJMESA-N 443.332 4.554 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2296308281 FXWIVZZMTBPPLR-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE COc1cccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 2296871425 XBNQYXJVMREOFK-UHFFFAOYSA-N 442.876 4.733 30 10 IJEE CCOc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1 2297378263 CBRAOHKZAXVMBM-UHFFFAOYSA-N 440.546 4.633 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccc3c(c2)OCO3)C1=C(O)c1ccccc1 2297739918 FDTHNGJTNWRROE-OAQYLSRUSA-N 433.847 4.695 30 10 IJEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2304196753 WPIBHPUFYYHHPQ-GCKMJXCFSA-N 436.557 4.852 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2305316298 KYPDRVDMSLANIF-OFVILXPXSA-N 428.573 4.698 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2305398639 YCCZNQMGHRKCJT-RUZDIDTESA-N 428.573 4.842 30 10 IJEE N#CCc1ccc(Sc2cc(I)ccc2Br)nc1 2316386269 FDPGUORHWFXTKQ-UHFFFAOYSA-N 431.096 4.666 30 10 IJEE C[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2317350549 VCKSIVFILFPNSB-DLBZAZTESA-N 432.370 4.654 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353289 GDAJDHVVAUDFBN-ROUUACIJSA-N 430.354 4.551 30 10 IJEE CCOc1cc(C=Nn2c(COc3ccccc3)nnc2SC)cc(Cl)c1OCC 2318418277 VPXFXUOAYXIUGS-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)c(Cl)c2)c(C)c1 2321344351 QZTIFRPAHCEYPD-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1c(Cl)cccc1Cl)O3)CN(CCN(C)C)CO2 2322037382 WMDWDRXQSYITQJ-UHFFFAOYSA-N 433.335 4.632 30 10 IJEE Cc1cccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc3c(c2)OCO3)C4=O)c1 2322217912 WUGMJQSZLYQPCP-UHFFFAOYSA-N 427.456 4.692 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)c1OC 2322884548 LBIGMDGCGNPRNX-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2322904225 INVTUPSGAMMCJN-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)cc1 2325009128 NOHACQGVNMEDFQ-GOSISDBHSA-N 443.499 4.958 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2325736474 NURSKOGGIBZQRS-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(OCCCc2nnc(SC)n2N=Cc2ccccc2OC(C)C)cc1 2326224884 ROECGTJEKAWJPY-UHFFFAOYSA-N 440.569 4.690 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cc(OC)ccc1OC 2326684063 CCOQBWMCORWTSW-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE CCn1c(C)c(C=Nn2c(C)nnc2SCc2cccc(C(=O)OC)c2)c2ccccc21 2326752430 KBNJREWSCUKURB-UHFFFAOYSA-N 447.564 4.831 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1)c1ccccc1 2330611095 ZOFKSBJUQLXRQX-QGZVFWFLSA-N 447.589 4.858 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1Cl 2330854877 QRECMFSGBODIMV-UHFFFAOYSA-N 448.036 4.943 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331049617 VYMYOTHUTGHVEX-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c(OC)c1 2331170178 CCRVENKQJLPYTO-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1cccc(F)c1 2331325374 RFZMYWQYRVCABN-UHFFFAOYSA-N 439.560 4.935 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(OC)cc1 2331445107 HUNMIVJJEKBYCO-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331708208 PZYWGDGORWLENW-UHFFFAOYSA-N 429.373 4.882 30 10 IJEE CC(C)(C)OC(=O)NC1(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2339597724 ZYCBMPJKNKJNKZ-NTCAYCPXSA-N 443.397 4.976 30 10 IJEE N#Cc1cnc(OCc2cc(I)ccc2Br)c(Cl)c1 2341780625 UOGXDMHIDTWSFJ-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE C=CCC(CC=C)[C@@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366641761 KIZURNSDARGKGZ-KGLIPLIRSA-N 425.763 4.786 30 10 IJEE C=CCn1c(SCc2nc(-c3cccc(OC)c3)no2)nc2sc(C)c(C)c2c1=O 11148573 MIUMPVQNHCWHNA-UHFFFAOYSA-N 440.550 4.612 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccccc3)oc12 33522324 GGGZSBZFXSHAOQ-OAQYLSRUSA-N 429.428 4.813 30 10 IJEE CN/C(=N\c1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 105534734 SECSEKYJOHFDJQ-OAHLLOKOSA-N 442.755 4.919 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(OC)c2)c1 169937067 ZVRLNTMLVDWMRP-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccnc2)c1 170000391 QKLAPGNSALCPLS-QHCPKHFHSA-N 439.471 4.745 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(C)o1 170100168 OZRKFAHOBDWDOJ-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 170117135 MEIFYLCKCPVXGV-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)cc1 170161153 NBBBLBGZWXDORV-OAQYLSRUSA-N 430.485 4.801 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@@H]3c3ccccc3)ccc2O1 170228586 FTSYFSFGSZDNNJ-VOIUYBSRSA-N 436.467 4.665 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)cc1 170237679 UVMDRMVEZUDUNC-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2sccc2C)s1 170312768 NNFKPEGZDRQFJY-OAHLLOKOSA-N 430.576 4.970 30 10 IJEE N#Cc1cc(Cl)nc(Nc2cc(Br)ccc2I)c1 302419812 QRVMBLCVXMXLBG-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 407888318 QWEIRBCYDVJYFD-IAGOWNOFSA-N 429.374 4.968 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(Cc2ccco2)C2CCCC2)nnc1-c1ccco1 480660675 GNZCDOGFRNXXHM-UHFFFAOYSA-N 426.542 4.771 30 10 IJEE C=CCOc1ccc(C(=O)NCc2c(C(=O)OCC)sc3ccsc23)cc1OC 500103310 ISFHARLBEGMPMY-UHFFFAOYSA-N 431.535 4.643 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 505587838 SYPJMNJIAQOQJH-VWLOTQADSA-N 444.531 4.667 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)o2)cc1 505938606 OGGKFGHLOSNLHS-SFHVURJKSA-N 430.291 4.971 30 10 IJEE CC1(C#N)CCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 506608966 KDRJUHOXPVMXSC-UHFFFAOYSA-N 444.457 4.793 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N2CCc3ccccc32)CC1 508917376 BKLIMVXNDZHLRW-UHFFFAOYSA-N 447.970 4.590 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccc(C)cc2)c2ccc(OC)cc2)cc1 513216723 AHLSXPNKWOUCRK-DEOSSOPVSA-N 429.520 4.831 30 10 IJEE COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccc(C)cc3)C2=O)cc1 526659991 BMCSNOISCANTLN-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1OC 526804414 RTPGABCUYARUCQ-OYKKKHCWSA-N 440.569 4.875 30 10 IJEE C[C@@H](NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542089701 FVWAURBXBPZQGY-KBMIEXCESA-N 438.531 4.559 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 555257223 JUQARBLTYQHZCL-UHFFFAOYSA-N 448.411 4.797 30 10 IJEE C[C@H](NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12)c1ccc(C#N)cc1 574298314 VUYOJULQWQUTSD-SIBVEZHUSA-N 433.511 4.794 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 580340757 QYMZADJJAUFGKA-LJQANCHMSA-N 436.560 4.632 30 10 IJEE CCOC(=O)c1ccc(N(CCCC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586240078 RPXMEWKQFILHBR-UHFFFAOYSA-N 441.336 4.669 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)c(F)c1 729846275 UTHCAXDYLAGKIH-UHFFFAOYSA-N 433.508 4.820 30 10 IJEE COc1ccc2c(-c3ccccc3)cc(=S)n(CN3CCN(C4CC4)[C@H](C#N)C3)c2c1 732672278 GZMXTQZWQWESLD-HXUWFJFHSA-N 430.577 4.676 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1cccc(C)c1 733197204 LXSQQBIMOQIMHV-JOCHJYFZSA-N 449.576 4.767 30 10 IJEE C=C(Cl)CSc1nc(C)c(Cc2nc(C3(NC(=O)OC(C)(C)C)CC3)no2)s1 904989265 RMFWQBBTDINOPU-UHFFFAOYSA-N 442.994 4.784 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)COc3ccccc3Br)c2)c1 1125086790 CIXXZAOYBQGTLK-UHFFFAOYSA-N 437.293 4.917 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(Br)cnc2Cl)CCCN1C(=O)OC(C)(C)C 1128236946 BLPXNZAVLOEDGL-GOSISDBHSA-N 444.757 4.782 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1128699655 WOCQSLCJISQMCN-UHFFFAOYSA-N 434.989 4.589 30 10 IJEE C#CCN(C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)[C@H]1CCCc2ccccc21 1134316530 SVNNUDCZNGAQGY-IBGZPJMESA-N 439.581 4.629 30 10 IJEE C#CCN1CCCN(C(=O)c2ccccc2SCc2ccc(Br)cc2)CC1 1136862149 ZHUCEFUIFCLGKK-UHFFFAOYSA-N 443.410 4.523 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 1137861158 YUKVVUICNHSFAB-SFHVURJKSA-N 441.919 4.599 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(CN(C[C@H]3CCCCO3)C(C)C)cc2)s1 1152456113 VWONTQLZDAUFDF-HXUWFJFHSA-N 428.602 4.773 30 10 IJEE C=CCn1c(SCCNC(=O)C2CC2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1164489895 XSXAQRBWEHTQPA-QGZVFWFLSA-N 444.670 4.962 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1180150204 AFDPUXKBRHPXKO-PMERELPUSA-N 446.594 4.895 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1C 1191380912 CUHYFQZFHGUXJW-ILBGXUMGSA-N 432.612 4.535 30 10 IJEE CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1214718890 DVRPXDXHFSZXMV-RDGATRHJSA-N 435.524 4.575 30 10 IJEE COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1CCOCC1 1214721338 CYFRMJAQCUVLAJ-NRFANRHFSA-N 427.932 4.655 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccccc1 1219097210 BPZPERVQKMRTAG-OAQYLSRUSA-N 429.586 4.983 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)C1 1248677099 VAOJIPCDHBSIKS-SFHVURJKSA-N 434.411 4.687 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccnc(Oc3ccc(C(C)C)cc3)c2)c1 1264687725 HBEWYXBGRXWNIN-UHFFFAOYSA-N 427.504 4.689 30 10 IJEE C#CCN(C(=O)CCc1ccc(F)cc1F)[C@H]1CCOc2ccc(Br)cc21 1265210996 YLLBFLKDKDDNOB-IBGZPJMESA-N 434.280 4.646 30 10 IJEE Cc1cc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c(F)cc1Br 1274925448 BRPBCYQZEDLYQW-HNNXBMFYSA-N 442.329 4.812 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)c1nc(C)cs1 1286368567 VLBOEDJXIZSLTA-KRWDZBQOSA-N 447.564 4.755 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(C)o1 1286562514 GTZRTJJGUXJCMA-GBXCKJPGSA-N 436.556 4.685 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286584873 VFMNAEPYPYQZMF-RTWAWAEBSA-N 432.616 4.848 30 10 IJEE C=C(C)COCCn1c(CC)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 1286607863 KQIXICDQEHUXJA-UHFFFAOYSA-N 429.952 4.612 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCCN2CCCC[C@H]2C)CC1 1286650009 UGMMEVBCYIAOEL-OAQYLSRUSA-N 441.595 4.807 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCSCC(F)(F)F)CC1 1286664783 HATAGTWLAHMHIW-UHFFFAOYSA-N 440.535 4.598 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1286668448 ZGHNEMWECFXVJY-UHFFFAOYSA-N 442.583 4.933 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1286711628 NRBHDGIRQCMRPP-IBGZPJMESA-N 426.561 4.530 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(OC)ccc2Br)n1CCC 1286763546 LRLXXKHBBOPTIY-UHFFFAOYSA-N 445.361 4.954 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC2(F)CCC2)C1 1286811990 IAVNSGHJONERQO-FQEVSTJZSA-N 428.552 4.538 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccsc1 1288943161 GPSNHOUCJSLNBG-VBKZILBWSA-N 431.924 4.623 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)cc21 1289390292 JHCYUMKINZMNEL-QFIPXVFZSA-N 428.458 4.615 30 10 IJEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccs1 1291794764 DCCKBBQYUNNPJY-YLJYHZDGSA-N 448.596 4.525 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)c1 1292767197 QRNXPYNPVJIXSC-UHFFFAOYSA-N 436.512 4.566 30 10 IJEE CCC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)OC 1293950136 APKOAKGWIOAIHB-UWJYYQICSA-N 429.540 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C#N)o1 1300271021 GBYYOBIHCIPIKN-IAGOWNOFSA-N 437.931 4.659 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccccc1 1300284478 SLZXMGNMAMOXHT-CJAUYULYSA-N 434.609 4.641 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(O)(CC)CC 1300611349 CPINCWZBETZWOW-UHFFFAOYSA-N 426.561 4.823 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1300830333 FMNUWVULIBZYEV-XNRPHZJLSA-N 425.396 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CCc1scnc1C 1300925033 NKONABGGBONRFY-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1301124729 KTWIISZIPCOBCH-UHFFFAOYSA-N 444.933 4.723 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1301246825 XTDVBABTKFWRTM-IRLDBZIGSA-N 441.620 4.530 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCC1)C1CC1 1301326442 AGNHBVCZSOAXNC-VQTJNVASSA-N 441.620 4.904 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)noc1C 1301373032 RKSQDZISCPSYQC-QGZVFWFLSA-N 427.936 4.903 30 10 IJEE CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1CCN(CC(F)(F)F)CC1 1306668870 CVNXAWKFGZHUNF-UHFFFAOYSA-N 448.537 4.717 30 10 IJEE C=CCn1c(C)cc(C(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)c1C 1307329992 JZEYLAUEUVDWEI-UHFFFAOYSA-N 444.285 4.772 30 10 IJEE Cc1ccc(C)c(-c2cc(NC(=O)CN(C[C@@H](C)C#N)C3CC3)n(-c3ccccc3)n2)c1 1307642651 GTBJFCFTEJEASB-IBGZPJMESA-N 427.552 4.719 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cnc(C(F)(F)F)nc2)cc1OCC 1308462931 XQHDQKJJFBZVLY-UHFFFAOYSA-N 446.267 4.511 30 10 IJEE O=C1NCCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1311031338 GZDIJDPFLWSAIJ-HNNXBMFYSA-N 449.326 4.568 30 10 IJEE C=CCN(C(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1)c1nc(-c2ccccc2)cs1 1350012352 HXBVABOJPQIPQT-GOSISDBHSA-N 435.524 4.911 30 10 IJEE COc1ccc(OC)c(CCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1 1351426175 FWODIOVEEBZHAA-UHFFFAOYSA-N 436.895 4.994 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3c(s2)C[C@H](CCC)CC3)CCCN1C(=O)OC(C)(C)C 1352374083 QPIXTNSRHIFRRX-MWTRTKDXSA-N 431.602 4.780 30 10 IJEE C=CCC1(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCOCC1 1354039308 YWZPLZYVXWESQZ-UHFFFAOYSA-N 435.471 4.936 30 10 IJEE CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cn1 1356505754 BYMBEFBZEMBBQS-UHFFFAOYSA-N 428.492 4.769 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(SCC)c1 1358880129 FKGABMZAUFUTRK-OAHLLOKOSA-N 441.988 4.620 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](CN(C)CCC)C1 1358922798 RDZSBJYJTVCWBC-FQEVSTJZSA-N 439.673 4.857 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C1CCCCC1)N(C)C 1359007428 JSVRCQRRKPFTEY-QHCPKHFHSA-N 446.599 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOCC 1359063775 CYBGDNZZNIVCOO-WZONZLPQSA-N 430.980 4.717 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359144873 XIPQJISXZBGZMT-OAQYLSRUSA-N 440.922 4.940 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cc(C)nn2C)CC1 1359173338 CUROVNMCEHRDGL-QGZVFWFLSA-N 440.979 4.564 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[C@@H]2CCCCO2)CC1 1359176283 RTLICTRAKNJZHG-NRFANRHFSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCc2ccccc2OC(F)F)CC1 1359180619 LZURCICBYFYWEV-UHFFFAOYSA-N 439.510 4.510 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1359195220 IZWCUEPEMUEGCN-OZXSUGGESA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359199641 CGTOBAOSEWWOMW-RBUKOAKNSA-N 448.398 4.856 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cscc1C(F)(F)F 1359245672 YUFQZWZXOKRNMP-GDBMZVCRSA-N 428.524 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCCCC1 1359260391 CLBCUYFLQHNGMH-QFIPXVFZSA-N 442.579 4.937 30 10 IJEE C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1359853150 GGPNQOLYUNHKQW-QFIPXVFZSA-N 441.575 4.507 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2ccc(OCCC(C)C)c(OC)c2)cc1C#N 1435624089 BDLCXIVTRQZTTN-UHFFFAOYSA-N 425.485 4.812 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 1436019957 PPMGIMAJXJCQDM-UHFFFAOYSA-N 446.572 4.805 30 10 IJEE C#C[C@H](NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)c1ccc(Cl)cc1F 1436654192 YTOAZKSNIXIFKL-INIZCTEOSA-N 437.689 4.779 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1440828663 QZTHZFPMFWGFIK-UHFFFAOYSA-N 426.516 4.740 30 10 IJEE C=CCn1c(S[C@H](CCc2ccccc2)C(=O)OCC)nc2sc(C)c(C)c2c1=O 1458823790 JKWNINBRTUAFRQ-GOSISDBHSA-N 442.606 4.917 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1cc(Br)ccc1Cl 1459937356 CDKIAXKRSRBZSN-HNNXBMFYSA-N 434.765 4.870 30 10 IJEE Cc1cc(C(=O)Nc2cc3ccccc3cc2C#N)cc(C)c1OCC(=O)N1CCCCC1 1460846954 CTKXXULRXJNVJZ-UHFFFAOYSA-N 441.531 4.972 30 10 IJEE CC(C)C[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N[C@H](C)c1ccccc1 1469350865 HPXCWXUDSFQOIY-RCZVLFRGSA-N 447.627 4.545 30 10 IJEE CCCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCc2ccccc2C1 1469400924 GFEGKTHOTORKQY-WLXPTCNVSA-N 432.568 4.622 30 10 IJEE C=CCn1c(SCC(=O)CC[C@@H]2CCCCO2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472908303 WGLQHXOIPQVZHG-WBVHZDCISA-N 446.638 4.779 30 10 IJEE C#CCN(C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CCCc2ccccc21 1477478046 KVUDLLPJRWECLH-CLJLJLNGSA-N 431.580 4.555 30 10 IJEE C[C@@H]1[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCc2cc(C#N)ccc2F)CCC[C@H]1C 1479325933 HACZNBADTSYTQC-JLHGSKIFSA-N 437.515 4.963 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2cscc2C)cc1OC 1501222881 ALXYFWXSBPLGCC-MRXNPFEDSA-N 439.585 4.757 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2)n1Cc1ccsc1Br 1505325513 IFQOQMNLVXSLHQ-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nc(C)c(C)s1 1507523737 RBCJDVULEHJDJK-AWEZNQCLSA-N 425.627 4.855 30 10 IJEE C#CCCCCn1c(N(C)CC2CCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507575227 TXVNODFHLGZLIU-OYRHEFFESA-N 443.636 4.869 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCc2cccnc21 1507609716 FAPMNPFAVUSKQG-QHCPKHFHSA-N 443.595 4.955 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1507702882 XNPBJMVGUCZEDE-PWHSHALESA-N 440.563 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCc1cccc(C)n1 1507762529 VQUMIRJIVPIYNJ-XMMPIXPASA-N 435.959 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(OCCC(C)C)CC1 1507800622 WTXXEPCCHRGXMZ-MZYLBHOOSA-N 446.636 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1507826181 ISHYZXNYZSPBOJ-NOZRDPDXSA-N 431.584 4.834 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1507887293 MIIJSUVERRRUON-UHFFFAOYSA-N 449.502 4.580 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC[C@@H](OC)C(F)(F)F)CC1 1507892219 MLBQTFAISHSOJM-LJQANCHMSA-N 438.494 4.543 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(OC(C)C)nc2)CC1 1507903098 AFFICBGICHWSPE-UHFFFAOYSA-N 431.584 4.696 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=C(C)CC1 1507959566 QXGKWVPUDLXACH-UHFFFAOYSA-N 431.378 4.765 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@H](C)[C@H](C)C2)cc1 1508105842 SIJDOLRMOYZNCB-ZWKOTPCHSA-N 437.613 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(C)C)C1 1508117920 POBBYOANEDMWOG-CQSZACIVSA-N 425.396 4.597 30 10 IJEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCCCCC1 1508133339 HHCFSLLADCFMLB-UHFFFAOYSA-N 444.645 4.614 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1508167053 FVTNPEPJFXTHPV-QGZVFWFLSA-N 426.508 4.704 30 10 IJEE Cc1ccc(NC(=O)C2(CNC(=O)CSCc3ccc(C#N)cc3)CCCC2)cc1C 1514546880 GGOPOGCLZQJIBO-UHFFFAOYSA-N 435.593 4.724 30 10 IJEE CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1525343710 FIVHKFOEJIODEF-SFHVURJKSA-N 439.487 4.573 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(N2CCNC2=O)c(C)c1)c1ccc(C(F)(F)F)cc1 1526560006 DONHITBJLAREGY-IBGZPJMESA-N 431.458 4.981 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1)c1ccccc1 1526566267 YNMCYUVRFOQXFS-HSZRJFAPSA-N 437.499 4.661 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C(C)C)C2CC2)ccc1Cl 1533566340 BWGIFXUSZHRFHM-QFIPXVFZSA-N 447.000 4.886 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C=C)c1 1535158570 DDDCUXLTWSTZCJ-CQSZACIVSA-N 439.364 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1CC(OCC)C1 1538975074 XHWVJVGMWUXAID-NSSZEPTDSA-N 430.980 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CC)CCOCC1 1538982303 DAMPWGKOWZGEKB-QZTJIDSGSA-N 426.630 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1sc(C)nc1C 1539570343 STVJRWSVZQDURM-DRMXPCRNSA-N 441.645 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1539619908 IKFLJJVTDDPFTB-JUXOCIIHSA-N 439.629 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC(C)(C)[C@@H]1C 1539623189 KQKPKGSCAUSNEG-YRNRMSPPSA-N 448.970 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1539632953 VZPJUPHJENDLPB-MZKRTTBSSA-N 426.580 4.981 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCN(C)C2CCCCC2)CC1 1539897016 YLZJLMAZGDTAEC-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccccc3)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1539928829 JAPNHAWVSXZUQN-LIXHSBQKSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC=C(Br)C1 1539974186 MLFKHGCAQACWKT-UHFFFAOYSA-N 435.341 4.841 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCN1CCC 1540121822 NWEWPHZFQMAMPC-QHCPKHFHSA-N 443.599 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1CCc1nccnc1C 1540147107 NPLLPEJWPPOIPC-UHFFFAOYSA-N 444.608 4.773 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)C 1540151806 MPZQNPUIQOIFGK-FYYLOGMGSA-N 436.648 4.911 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(OC(C)(C)C)nc2)o1 1542312739 ASDLZGUIOVEQJO-UHFFFAOYSA-N 434.544 4.597 30 10 IJEE C#CCC1(NC(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CCCCC1 1564764798 STTBPVUVIJDRPE-UHFFFAOYSA-N 425.573 4.900 30 10 IJEE C=CCN(CCC#N)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1569599800 LUNMCABZWIBLFW-UHFFFAOYSA-N 449.938 4.771 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cc3cc(Br)cc(Br)c3o2)C1 1584653589 NBJBYCNEKXFXGX-NSHDSACASA-N 425.120 4.833 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](CC)N1CCCC1 1587586125 JYZAURCPZKTJPR-QUCCMNQESA-N 425.646 4.608 30 10 IJEE C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)c2C#N 1588270442 DRDCTJHTWSSGGE-KGLIPLIRSA-N 440.569 4.978 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=C)Cl 1588574346 FELIKQZKNHJZOH-KRWDZBQOSA-N 437.371 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1589233872 LXBYDGLXSNLJIL-HHHXNRCGSA-N 447.627 4.533 30 10 IJEE C=CCCC[C@H](NC(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1589390869 UJOIULIOTNWTSI-NBGIEHNGSA-N 441.572 4.746 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1589742009 COXCTRUDVDRZRR-HXUWFJFHSA-N 425.577 4.534 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1)c1ccccc1 1593788710 CUHZQZLMNRDFSL-JTHBVZDNSA-N 437.632 4.711 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1593818542 UZLLPRLRSULOSE-OPAMFIHVSA-N 439.991 4.966 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(C)c2)CC1 1594024055 RDHNDXAFRCQGFX-UHFFFAOYSA-N 426.362 4.559 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)c2c(C)noc2C)CC1 1594127847 HKKYSGYWUDYJJP-GOSISDBHSA-N 435.572 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccccn2)CC1 1594473238 NVMXGFXGYBLYEW-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1594510809 AKRHCZHKUUHRHB-WIYYLYMNSA-N 437.613 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1cn2ccsc2n1 1595161627 GNOHRZVBTLUUAI-UHFFFAOYSA-N 426.615 4.878 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1595442440 LAHROIKZSWLWMR-UHFFFAOYSA-N 444.023 4.789 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@](C)(CC)C1 1595845587 WOAIDNRIUCOHIH-RDPSFJRHSA-N 444.645 4.959 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@@H](C)C1 1596805936 AGBKJEHVWIZSOG-KFWWJZLASA-N 434.357 4.879 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)C1 1618573827 UXOBXHNXYZODJD-CYBMUJFWSA-N 425.385 4.789 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)c1 1623033697 KFIIHLWKWDBXBX-UHFFFAOYSA-N 441.329 4.911 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](CC)C2)c1 1624364047 UMTNJJKKTKJIOY-GOSISDBHSA-N 447.000 4.984 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1O 1624989343 GRGIZGOXWUCBAP-JOCHJYFZSA-N 443.503 4.599 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 1625182015 BFGYTFKBFHHXMS-HSZRJFAPSA-N 447.560 4.990 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 1627338775 YATMEUUMEDAQCS-KBMXLJTQSA-N 432.870 4.713 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCO[C@@H]1CCCc2ccccc21 1629298106 FRVMUEHHTBFHKK-WOJBJXKFSA-N 436.980 4.623 30 10 IJEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CCCCC1 1631808458 GSPPAVAKDQLKHJ-UHFFFAOYSA-N 430.957 4.549 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 1632373581 NBLMAFFVSZUWRX-IBGZPJMESA-N 430.508 4.805 30 10 IJEE C#CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCCc2ccccc21 1635883782 DXAZNMLIEZWFDN-QGZVFWFLSA-N 431.261 4.649 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Oc3cccc(NC(=O)OC(C)(C)C)c3)n[nH]2)c1C 1636025970 HWGOYBMRGKYSEP-UHFFFAOYSA-N 437.500 4.642 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCn1c(C)nc2ccccc21 1638245217 OJVJECCOZJLGGB-UHFFFAOYSA-N 430.321 4.851 30 10 IJEE C#CCN(C(=O)c1oc2ccccc2c1CSC)C1CCN(C(=O)OC(C)(C)C)CC1 1645454432 HRBJDAXAEQVYFS-UHFFFAOYSA-N 442.581 4.771 30 10 IJEE C=C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1)c1ccccc1 1651062312 OGQKXWZMIRKERP-PKTZIBPZSA-N 436.552 4.785 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)ccc1OC 1651116338 GZSSNRDDBQZTNT-GCJKJVERSA-N 426.532 4.631 30 10 IJEE C#Cc1ccc(C(=O)Nc2cc(I)cc(C(F)(F)F)c2C)cc1 1651573871 GILPTGSCYUNQEB-UHFFFAOYSA-N 429.179 4.852 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc3c(c2)CCC3)n(Cc2ccc(F)cc2)c1C 1653101779 ARLIRACITKCMFA-GOSISDBHSA-N 444.554 4.942 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 1653662194 XRDCMIJWCULLBU-HXUWFJFHSA-N 431.458 4.507 30 10 IJEE C[C@H](C#N)N(Cc1ccc(S(=O)(=O)C(F)F)cc1)Cc1cccc(C(F)(F)F)c1 1653969621 FHXIRZRQWSVKMJ-CYBMUJFWSA-N 432.414 4.616 30 10 IJEE COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCN(c2ccc(C#N)cc2Cl)CC1 1658457851 BNWSNEWARVBMMM-LJQANCHMSA-N 438.742 4.555 30 10 IJEE C#CCN(Cc1cc(Cl)cc2c1OCC2)[C@H]1CCOc2ccc(Br)cc21 1659177944 STLLLCBRWKOEHJ-IBGZPJMESA-N 432.745 4.996 30 10 IJEE CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C12CCCCC2 1660573276 HRTPCZAZUFNNNV-UXHICEINSA-N 432.611 4.830 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1)C(C)C 1661474991 UNZKLSDAQNGSSN-KRWDZBQOSA-N 437.972 4.818 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c(C#N)cn1CC 1662770505 DIYPWQOBSNIQMG-FSPWUOQZSA-N 428.920 4.729 30 10 IJEE COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 1668454293 BPFISDNUQNNIQS-HKUYNNGSSA-N 425.554 4.624 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1669277027 SVWVTWQZFFJLKE-UYAOXDASSA-N 437.506 4.993 30 10 IJEE Cc1c(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cnn1C1CCOCC1 1673452853 CLUGDCRLYIGKOM-UHFFFAOYSA-N 445.523 4.832 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cc(C)ccc2Br)cc(OC)c1OC 1677966787 NCCSVKUDYOVJSJ-UHFFFAOYSA-N 433.346 4.503 30 10 IJEE C#C[C@@H](NC(=O)NCCOCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1F 1680936519 VQMLZNMCJOWRFK-GOSISDBHSA-N 429.706 4.976 30 10 IJEE C=CCOc1ccc(CNC(=O)N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 1682245993 CUSKEEMNEYDMIN-KKSFZXQISA-N 434.458 4.942 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1685273532 HUHBTXJBRLDEAV-UHFFFAOYSA-N 431.359 4.594 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1686920075 SGHPAIPWBCUMGD-OALUTQOASA-N 433.733 4.560 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1689884192 MKTFYPNDJVZSPA-HXUWFJFHSA-N 437.588 4.551 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1(COC)CCC1 1690064092 ZQXXIUHNIMCGCP-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCO[C@@H]1C(C)C 1690212881 VUAFJPISBFSSAX-YMVVMYQSSA-N 436.600 4.527 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@@H]1C 1690302817 MFNXAGAKJWXISP-CABCVRRESA-N 437.357 4.674 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCCOC2CCCCC2)CC1 1690382566 TVUZXXQHXRAMLY-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@@H]1C 1690428623 WXHMIKFJXFGEGX-OALUTQOASA-N 448.615 4.902 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)s1 1690560441 UQKLCOMTXGOZDP-UHFFFAOYSA-N 449.971 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC[C@H](F)C1 1690601223 USCOJUYSQWCNMY-WMZOPIPTSA-N 449.368 4.936 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CC(C)(C)C2)C1 1690686608 QNNGHKVIBWYYHX-PKOBYXMFSA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CCC[C@H]21 1690737097 ZOIAOLNPJVTJTN-RDTXWAMCSA-N 449.418 4.624 30 10 IJEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CC[C@H](F)C1 1692154870 CSHWALOSDKIJOM-PMACEKPBSA-N 425.552 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCC1=CCCCC1 1705502126 CAWNQOHJQBCWSS-KRWDZBQOSA-N 443.389 4.968 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ncc(CC)s1 1705546110 ARYHLHDFYCGJCH-UHFFFAOYSA-N 434.594 4.514 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1705659937 JPXPMZUMEOHRKK-GOTSBHOMSA-N 438.641 4.906 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705695094 VGIGCFABQYXELU-IEXUWNMDSA-N 431.584 4.938 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1 1705697685 WRXJPWNJTBKKGW-NQIIRXRSSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC1CC(F)C1 1705708650 FOUBZNBYLHEGCS-QEHDNZMLSA-N 442.579 4.585 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705823417 LDMJOHYYJURZHC-RTBURBONSA-N 428.602 4.551 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1C 1705843141 YPVFSHHDYLNTML-OAQYLSRUSA-N 439.604 4.680 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C(F)(F)F)cc1C)C1CC1 1705847900 IIDIJAXTZBLDFA-UHFFFAOYSA-N 449.521 4.727 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1CC 1705856857 JBWONXHMVUMNGB-LEWJYISDSA-N 434.588 4.706 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@H]1CCCc2cccnc21 1705858578 YQBGDZCXLJGXAO-HSZRJFAPSA-N 426.568 4.981 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCSC2(CCOCC2)C1 1705912549 NECVILVGYHESPL-LJQANCHMSA-N 442.629 4.507 30 10 IJEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2ccco2)C1)C(C)C 1706562612 ATADNHDRAWOCJR-HSZRJFAPSA-N 446.599 4.913 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](COC)C1 1722496885 OPGGRPXUWPFMFZ-FVJLSDCUSA-N 448.970 4.582 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCCCCC[C@H]21 1722546062 FMQDLDPNFSKUFB-GDBMZVCRSA-N 438.801 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](OCC(C)C)C1 1722546958 FJPAVLIOHMRAJY-INIZCTEOSA-N 425.360 4.611 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722550154 GWKXUGAQTCRTRO-UHFFFAOYSA-N 449.946 4.902 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)c2c(C)noc2C)CC1 1722562605 FXMZEGOLLBCXQU-MRXNPFEDSA-N 437.544 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722588161 MAKZWRXPNWXGIV-UHFFFAOYSA-N 429.653 4.698 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1722591506 NQVVJPJDYUFPSK-YADHBBJMSA-N 426.605 4.990 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722593669 YFJWCTMQSMVQMV-FGZHOGPDSA-N 429.653 4.680 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccco1)c1ccccc1 1722597942 XXCWZBSJMMZZOI-CTNGQTDRSA-N 433.556 4.551 30 10 IJEE C=CCCCCn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722609871 HREJKWJDKCDLEC-OFVILXPXSA-N 442.579 4.808 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](NC(C)=O)C1 1722611165 WHKXPLSIMQDNQL-INIZCTEOSA-N 444.004 4.884 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCCCCC1 1722632117 IHILZDIPNGHXPB-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1722646232 KMQQIBUPDRLUIS-FUHWJXTLSA-N 445.405 4.843 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@H](C)C1 1722661486 HIDGHAAEHBKXOT-YYDVJCTNSA-N 430.618 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1722692708 UWRNIXPMRVQITR-FNZWTVRRSA-N 438.616 4.884 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCSC(C)(C)C1 1722707886 BVWVBZMZVMDJPG-UHFFFAOYSA-N 440.638 4.875 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(C)CCCS2)C1 1722719150 XWKZGMPQAPRFDX-HTAPYJJXSA-N 449.020 4.674 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@H](C)N1CCCCC1 1740534422 HLWKYVVVLAMBFH-QNWVGRARSA-N 437.632 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOCCC(C)C 1740538442 MHVKPYVKXZYFHQ-FQEVSTJZSA-N 433.600 4.873 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1ccc(C)cc1 1740540169 YJDUVOCAJMIJST-DLBZAZTESA-N 440.389 4.616 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncc(CC)s1 1740649903 HUJHGFFRJIQIPR-UHFFFAOYSA-N 449.649 4.806 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1c(CC)noc1C 1740649916 IGIAHZNYKFDORJ-UHFFFAOYSA-N 429.568 4.613 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCc2ccc(Br)cc2C1 1740718504 PSVZZJWLSXALQZ-UHFFFAOYSA-N 445.430 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nnc(CC)s1 1740769160 SALHFBFKKUDADK-UHFFFAOYSA-N 433.585 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)SC 1740776638 VWPBTXYNTRWUFT-HNNXBMFYSA-N 439.423 4.774 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CCOCC2)C1 1740789661 PMUCNFAXOAXVTQ-UHFFFAOYSA-N 438.616 4.842 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1740840725 KDVSLAISRJYJGB-CUNXSJBXSA-N 435.660 4.976 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1740855540 JEXVCRQQCYRLCI-JOCHJYFZSA-N 448.615 4.534 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H]1CC[C@](C)(CC)O1 1740914480 GEAPLHZYNBFJGF-BVAGGSTKSA-N 442.567 4.752 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCC1CCOCC1 1740915076 TYLZALXISDOTMV-UHFFFAOYSA-N 431.540 4.728 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)Oc1ccccc1C 1740923172 FGOZVERWULOXIN-PMACEKPBSA-N 438.597 4.812 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cc(Br)cs1 1740943652 CVCXURXYVAHCCW-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CCO1 1744242436 CDSNRMGRSZAZMD-KNQAVFIVSA-N 429.515 4.648 30 10 IJEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1747862701 HOSSQYOZADASRU-YTQUADARSA-N 433.478 4.583 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2(CC(C)C)CC2)c1 1748694833 QFAJKCCYHDKURA-UHFFFAOYSA-N 435.616 4.749 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(CC)CC1 1748736263 XGMLXTQYZJYPEO-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(CC)Cc1cnn(C)c1 1749118874 KNQWDIPWKKHNNQ-VXNXHJTFSA-N 448.615 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1749146823 OJBYQNIKYJZWPZ-NFBKMPQASA-N 430.980 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOC(C)C 1760212590 YCWCQKUXPLOCKK-UHFFFAOYSA-N 447.608 4.655 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CC1CCOCC1 1760366508 BFALQTGGBGTVRW-UHFFFAOYSA-N 444.004 4.992 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1760392085 CIICNQRPYTUBHH-OAQYLSRUSA-N 441.595 4.665 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1760532704 CCXDSAGYQXFVSF-NRFANRHFSA-N 440.588 4.527 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1760560941 KOEBOOKEYNPXSX-UXHICEINSA-N 442.629 4.516 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(CC)CCC)CC1 1772554911 ZLJYJJCKEFDLIU-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE COc1ccc2nc(SCC(=O)Nc3ccc(Br)cc3C)c(C#N)cc2c1 1858204662 IIIKLUOKFCTVRT-UHFFFAOYSA-N 442.338 4.917 30 10 IJEE CC(=O)Nc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2)c1 1859415607 ZIUCTXXOBQIZPO-UHFFFAOYSA-N 435.487 4.681 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(F)cc2)cc1 1862391185 VDVLGFNPDQWSGO-QHCPKHFHSA-N 439.527 4.909 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1862432630 JGWSTAIUAOLVST-IBGZPJMESA-N 434.319 4.998 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862459752 NZLWQDMEEDSKQJ-FQEVSTJZSA-N 433.426 4.737 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862477747 QZGCHJFGNXIORW-XMMPIXPASA-N 444.506 4.979 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1O 1862505887 HBXAWRCNMYILAQ-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@H]2c2ccccc2)cc1 1862535042 ZJKLZXLORGLBKC-DEOSSOPVSA-N 437.499 4.904 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862535977 NZHOWSNKCZHJIZ-QHCPKHFHSA-N 447.462 4.578 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(=O)O)cc1 1862546953 JLUGEIQBSGOXRT-NYHFZMIOSA-N 433.504 4.640 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862595443 BNALXNMFJFOGMQ-OAQYLSRUSA-N 435.501 4.631 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 1862634386 XRJONIFLWFGDMD-IBGZPJMESA-N 448.302 4.956 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862672586 DQBBXUCLAPKLCQ-JOCHJYFZSA-N 437.417 4.925 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2F)c1 1862702947 POXZPFLFLXSOOV-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4cccnc34)C2=O)ccc1F 1863084315 IIAYTMMQBHDUPS-UHFFFAOYSA-N 448.457 4.951 30 10 IJEE CCCC[C@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1ccccc1C#N 1866602753 UYJVYOBVVMDUHB-QFIPXVFZSA-N 435.572 4.507 30 10 IJEE Cc1cc(OC(=O)c2ccc(/C=C/C(=O)O)cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871381919 JCWAJRHQODOLRS-WSHPORRNSA-N 426.424 4.928 30 10 IJEE C[C@@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2c(Cl)cccc2Cl)C3=O)C[C@@H](C)O1 1871395416 RGHFHMRZYHURID-DBRPTBGJSA-N 434.319 4.924 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871422641 WAPSITUDCBLRRD-QRVIBDJDSA-N 445.446 4.970 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1cc(OC)ccc1OC)C2=O)C(=O)O 1871423675 WZJRHQVXZUOZLP-TUNPGAEXSA-N 426.465 4.651 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)ccc2C1=O 1871424512 LWRZTLGFSUZRTJ-PDESAOGPSA-N 429.472 4.568 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N(CCO)CCCC)n1 1871585407 AEKIIOGNQLDLOB-UHFFFAOYSA-N 442.652 4.971 30 10 IJEE C=CCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871673736 GUVXSXDNJYYFAT-UHFFFAOYSA-N 430.600 4.940 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1871885281 VBBYNUAMPODNDJ-HXUWFJFHSA-N 446.981 4.958 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C)S(=O)(=O)CCC 1872113498 XBXJSLKLFRYUPT-INIZCTEOSA-N 440.915 4.550 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CCC 1872165537 SGIPBXCRTUGFIP-QFIPXVFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872279688 LMBGLFXFIGHTSG-DEOSSOPVSA-N 442.625 4.858 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872436401 FTWFTOWGNJVEOP-IERDGZPVSA-N 434.989 4.879 30 10 IJEE CCCCCCCCCCNC(=O)Cc1nonc1OCC(=O)Nc1cccc(C)c1C 1872648282 VVNFTJMNZYHWFU-UHFFFAOYSA-N 444.576 4.503 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674417 QNIPJHOFGRONHT-UHFFFAOYSA-N 441.510 4.880 30 10 IJEE Cc1cccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SCCCO)c1 1874214209 AUJPXICGACWQIN-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(O)cc2O)CC1 1874286755 WYKDIZCZPRSQTK-HZHRSRAPSA-N 432.590 4.510 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(F)c1)NC1CCCCC1 1874429160 UNDLJUYVNKKGCI-MFKUBSTISA-N 437.544 4.507 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2)c1 1874483632 FVNOLTNZHNJLPE-DHRITJCHSA-N 439.560 4.945 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2Cl)c1 1874512155 YYVPINDMAUJHRV-FSJBWODESA-N 427.961 4.976 30 10 IJEE Oc1ccc(Br)cc1/C=N/n1c(SCCc2ccccc2)nnc1C1CC1 1874521259 KADCRAXKCCVGDN-LPYMAVHISA-N 443.370 4.841 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)cc1 1874583966 PBBRCHYJISBVEY-YRNVUSSQSA-N 434.305 4.732 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3cccc(Br)c3Cl)C2)OC1(C)C 1965480845 LOQKWYAIMWTPBI-LBPRGKRZSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2017959368 UYYZQCQCSUFWHT-HOTGVXAUSA-N 436.557 4.852 30 10 IJEE CCCc1ccc([C@@H](C)n2nc(C(F)F)c(C=NO)c2I)cc1 2079936016 JVRFLFBRTCZIER-SNVBAGLBSA-N 433.240 4.795 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2094840720 JUJRNTFXORTUQW-UHFFFAOYSA-N 438.377 4.623 30 10 IJEE C=CCN(CC[C@H](NCCC)c1nc(CC)[nH]c1Br)C(=O)OC(C)(C)C 2099292280 HKAJELJEIHLYAJ-AWEZNQCLSA-N 429.403 4.589 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 2124462985 KXYNILMHKNOBEI-FQEVSTJZSA-N 429.399 4.727 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Cc2c(F)ccc(Br)c2F)C1 2126636121 JVCYLKZCISEBCX-UHFFFAOYSA-N 430.289 4.700 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 2159127666 IXFJHBKOHRHIHI-ZWKOTPCHSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C)C(=O)Nc1ccc(Br)c(C#N)c1 2180925035 ZJVYZZVZOLJBRT-OXJNMPFZSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@@H](O)CC#C[Si](C)(C)C 2229102355 WKJYIQAOHJQDMM-ROUUACIJSA-N 440.454 4.517 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@@H](N)C#Cc1ccccc1Br 2235720011 GZSJRQCJLBJQMK-PKOBYXMFSA-N 447.398 4.724 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](CC(F)F)NC(=O)OC(C)(C)C 2235721355 AYVBARLSGFRCGZ-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2ccccc2Br)CC(C2CCC2)C1 2235730352 OVVWWYAMBOMSMG-IMYXXEESSA-N 433.390 4.602 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 2235730924 PNYXCZPLLFXBJW-WSTZPKSXSA-N 433.390 4.638 30 10 IJEE COc1ccc(C#C[C@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2237743299 AOOIGTNLTMYABM-IBGZPJMESA-N 431.330 4.856 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cs2)OC1(C)C 2267282556 DRFOQKVZCAJUSA-UHFFFAOYSA-N 447.409 4.932 30 10 IJEE CC1(C)OB(c2cnc(Nc3cscc3Br)c(C(F)(F)F)c2)OC1(C)C 2288643590 ULMPABSHPIHSOY-UHFFFAOYSA-N 449.101 4.967 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@H](N)C#Cc1cccc(Br)c1 2296278840 IEWMWBIOCZUEEC-HXUWFJFHSA-N 429.358 4.568 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)cc1 2321119879 GWNOZNAECIQJPO-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)c1OC 2322056845 YOPRRVNENCHZTG-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1ccc(C)cc1 2323537062 XJGKFRBBTWQXLJ-UHFFFAOYSA-N 434.521 4.995 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2323900416 IYQDQCWIWWUNMR-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2325079466 YUHOJECABBVHAN-JOCHJYFZSA-N 449.503 4.914 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(N(C)C)cc1 2325675215 UMHZVWRKKMGBFW-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC(=O)Cc2ccccc2[N+](=O)[O-])c1 2325743263 SHCFGASEZAZZLL-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SC)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327803115 OQRWVJIDIPQFEM-GOSISDBHSA-N 443.617 4.566 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccncc2)cc1 2328432562 CWQQBFXDTNWJCT-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE CSCC[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 2329611602 NCYIGHAXFVBMCQ-XMMPIXPASA-N 447.604 4.845 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1O 2330965829 UDNIADDMCHMYSQ-GOSISDBHSA-N 444.944 4.672 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccccc1[N+](=O)[O-] 2331165527 VVSPAXGKWBIMDA-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(O)c2)c(C)c1 2331416862 PAQRHQMPLHVCKN-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2)c1 2331439898 BLOQAFHTSBUDRQ-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CCN[C@H](C#Cc1cccs1)c1ccc(I)c(Br)c1 2338251568 BJBQJLZDLGUFRI-OAHLLOKOSA-N 446.151 4.818 30 10 IJEE CN(CCCCCNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)Cc1ccccc1 2339465504 ZUXRPTNQVUYSDD-UHFFFAOYSA-N 433.405 4.572 30 10 IJEE CC(C)C1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339588984 QKVNOWPCJGMPIM-UHFFFAOYSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339590197 JTYKXNPABJNATI-MHECFPHRSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339598302 AQKAVCDKTUBYCK-MOPGFXCFSA-N 444.381 4.941 30 10 IJEE Cc1cc(CN[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2343582362 DFQGSLAERWDTRY-RPWUZVMVSA-N 435.417 4.768 30 10 IJEE C=CCCC1([C@H](NC)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2364624901 CJSHZGYLTPPVBW-GOSISDBHSA-N 439.394 4.922 30 10 IJEE COc1cc(Br)cc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1 2364849143 OEQYZIJVDXXCKA-UHFFFAOYSA-N 439.546 4.549 30 10 IJEE Cc1cc(CSc2cc(Br)ccc2N)ccc1B1OC(C)(C)C(C)(C)O1 2369722934 CVJPXMOGZQURQJ-UHFFFAOYSA-N 434.208 4.931 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccs2)cc1 5923410 LRPKVCMCQKVDAH-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2C)nnc1SCC(=O)Nc1ccccc1 14088868 GQASGSUWZWAIKO-UHFFFAOYSA-N 428.945 4.736 30 10 IJEE N#Cc1ccc2c(c1)CN(CCC1CCC(NC(=O)c3cc4ccccc4[nH]3)CC1)CC2 29489858 JGLGOAQPUQITLD-UHFFFAOYSA-N 426.564 4.777 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(CC)cc2)cc1 39827519 NJZSXDQTLUZCHQ-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)cc1C 59015697 ZJFPVZDOSZMSQA-LSFURLLWSA-N 449.367 4.905 30 10 IJEE CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1[N+](=O)[O-] 102928376 BCERJDLOMQCYHU-DVCONVQISA-N 446.916 4.619 30 10 IJEE CCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3F)c(OC)c2)C(C(C)=O)=C1C 169933108 GKPSTUOENUTLDP-QFIPXVFZSA-N 428.529 4.527 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)cc1 169958698 PZPXUGOPIHVWIC-HSZRJFAPSA-N 435.426 4.772 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)cc2)s1 169963917 XFFOOTUQOYZUNN-GOSISDBHSA-N 442.443 4.527 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170055295 MIICKBWGEBQRQQ-HSZRJFAPSA-N 431.463 4.655 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 170098147 DFHGRAZUFAWINI-SFHVURJKSA-N 447.428 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1C 170131773 HLLSLZFZZJEAOB-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143171 BJFNKLXQPRDADX-GGAORHGYSA-N 435.520 4.540 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@@H]3c3ccccn3)oc12 170174481 DXKKJPSYZPMHTM-JOCHJYFZSA-N 440.455 4.928 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)c1 170227694 ICSYQRUKAJJMQE-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C[C@H]1CCCO1 170273676 KMCXSCGBXYDBHH-ZJSXRUAMSA-N 449.547 4.787 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1ccco1 170274218 ZHCNPOWAUXSUJL-MWTRTKDXSA-N 429.472 4.690 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)cc1C 170282152 XNSRXRUDGNGXOO-NRFANRHFSA-N 439.414 4.966 30 10 IJEE CSc1nc(-c2cccc(Cl)c2)c(C#N)c(N2CCN(c3ccccc3F)CC2)n1 243217644 KITYBFPKZKKQBS-UHFFFAOYSA-N 439.947 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)c2ccccc2I)C1 309935965 YFUNVDRXQMORHK-ZFWWWQNUSA-N 426.298 4.545 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cccc(-c3ncc(C)o3)c2)nnc1-c1ccco1 481777842 IDNRKDZJTOOSLG-UHFFFAOYSA-N 435.509 4.808 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCc3cc(F)c(OC)cc32)cc1OC 509423649 GIOISJFIQZAEAH-GOSISDBHSA-N 436.321 4.947 30 10 IJEE C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524114016 LGALRDFKPWKRAZ-HNNXBMFYSA-N 439.309 4.854 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCc2ccccc2)c1 549165975 KABAHVFHCVUVLQ-UHFFFAOYSA-N 429.568 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F 567481505 YQPVFVMSWCHODJ-UHOSZYNNSA-N 447.929 4.546 30 10 IJEE N#Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)c(F)c1 609228784 GNXJAIQTZGIRPT-UHFFFAOYSA-N 426.245 4.577 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@](C)(C#N)c1ccc(Br)cc1F 698434264 AIGAVEOWVSSVRS-LIRRHRJNSA-N 427.314 4.743 30 10 IJEE C=C(C)[C@H]1CC=C(COC(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)CC1 747175553 AMDQDPIELHGIEE-FQEVSTJZSA-N 429.561 4.534 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)NCc3ccc(OC)c(O[C@@H](C#N)CC)c3)c2)c1C 766459046 KVZMRAZJTDCLCU-JOCHJYFZSA-N 446.551 4.671 30 10 IJEE C#CCN(C(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 774036968 PUVABPXSIRFGGN-HSZRJFAPSA-N 444.556 4.675 30 10 IJEE N#Cc1cc(N(Cc2ccccc2)C[C@H](O)c2cccs2)nc2ccc([N+](=O)[O-])cc12 785834040 FQYIGQQGDAOVBW-NRFANRHFSA-N 430.489 4.816 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](C)C2(CCCCC2)C1 800787852 PEBVWAQCKMETSN-HXUWFJFHSA-N 437.588 4.687 30 10 IJEE C=CCOc1c(Br)cc(/C=C2\COc3c(OC)cccc3C2=O)cc1OC 920066988 ZSVPIYZYVSBBRB-NTEUORMPSA-N 431.282 4.690 30 10 IJEE CCN(CC)c1ccc(C=NNc2nc(SCc3ccccc3Cl)n[nH]2)c(O)c1 1084120665 MKLKFTZWTZKTTI-UHFFFAOYSA-N 430.965 4.748 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C 1124867982 ABFRAWWUQBZMQU-HSZRJFAPSA-N 435.568 4.884 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cccc(OCC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1125124769 HFDMTGITGYAOBM-NRFANRHFSA-N 442.478 4.590 30 10 IJEE C#CCN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@H]1CCOc2ccc(Br)cc21 1126151649 RWNBGWUVJREIHN-IBGZPJMESA-N 443.341 4.621 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1127662753 IWTGYIPNGZOXRO-RCDICMHDSA-N 442.478 4.950 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC(C)(C)CN(C)Cc2ccccc2)s1 1127691946 BGMJSSQHAVQWGD-UHFFFAOYSA-N 438.062 4.865 30 10 IJEE C=CCN(C(=O)CCc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1128110981 HMYWOBXHGJYLPX-NRFANRHFSA-N 444.369 4.571 30 10 IJEE O=C(N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)c1ccc(OCC(F)(F)F)nc1 1130271983 BTMQTCJKRSMWDD-OAHLLOKOSA-N 435.299 4.677 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2cccc3[nH]ccc23)CC1 1132251307 UCTOROSGKZAJLN-UHFFFAOYSA-N 429.442 4.714 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@@H]1Oc1ccccc1 1138691130 BJDZLXRDEMSOMI-SDUSCBPUSA-N 428.488 4.705 30 10 IJEE N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 1143522075 AMEJAUQYGNYPJY-JOCHJYFZSA-N 432.568 4.602 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12)C(C)C 1144197924 OFNVXKJNUHSIJJ-QFIPXVFZSA-N 436.531 4.766 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(F)c1Br 1163204774 BDPKQJNFVCYEON-INIZCTEOSA-N 446.320 4.603 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CC1 1171843180 AWWAWZWRNYSWTK-UHFFFAOYSA-N 443.400 4.939 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccc(F)cc3F)CC[C@@H]2C)cc1OC 1178884745 HDBABIIJJVHFAH-OPUMOTSWSA-N 442.506 4.679 30 10 IJEE C=CCn1c(SCC(=O)N(C)Cc2c(F)cccc2Cl)nnc1-c1ccc(C)cc1 1189024556 CNVWRIOBHXVNJP-UHFFFAOYSA-N 444.963 4.983 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 1214687134 MZOASDIBRSBNER-ZDUSSCGKSA-N 442.368 4.683 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C(C)C 1216094762 FYNCLTDKMWBUPA-LJQANCHMSA-N 435.494 4.711 30 10 IJEE C#CCN(C(=O)NC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCOc2ccc(Br)cc21 1251195616 SDOFXKZMJIXNLK-RHSMWYFYSA-N 446.172 4.501 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CNC(=O)c2ccccc21)c1ccc(C)c(C)c1 1264255484 YATKTXNJQULTLG-VWLOTQADSA-N 440.543 4.929 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)Nc2ccnc(OCC(F)(F)F)c2)cc1 1266714695 HMSAIDULLYTOLA-UHFFFAOYSA-N 427.382 4.726 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCN(CCC)C1 1286274512 KHKCPBGPNSBYON-NZQKXSOJSA-N 444.627 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(CCCCC)nc1C 1286281567 HZNSJRITCYFKCW-MRXNPFEDSA-N 442.970 4.939 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286301479 LNOCISGMZBKJRD-PKOBYXMFSA-N 449.624 4.561 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)CC1 1286323938 KEOFIBPBHDZQPS-LEWJYISDSA-N 443.636 4.823 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286333778 NJIPXFJMUZDYOF-LJQANCHMSA-N 425.627 4.883 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1286640085 FDRLMTSQICCFQA-BCDXTJNWSA-N 430.980 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1286640859 ONLPGGRKAOKOTK-ICSRJNTNSA-N 443.389 4.845 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1286662436 LAAZIWTWQINZSE-HXUWFJFHSA-N 435.641 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286675190 NDQOZJDTBXQEFW-FCHUYYIVSA-N 437.632 4.749 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](CCOC)C1 1286693219 WEZOYRORGYPBCP-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1286711778 SLCTWJIPKHBYTH-HSZRJFAPSA-N 433.556 4.591 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286712082 SBQJOAVPPFUZGE-UHFFFAOYSA-N 442.448 4.781 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1CCN(CC)CC1 1286713321 DNWOAJJMZIOYHY-GOSISDBHSA-N 432.012 4.816 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1cccs1 1286714863 USYBKCPEGBXAOW-JPYJTQIMSA-N 426.586 4.626 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCCn1nc(C)cc1C 1286742890 WMLYZOZPLZZMRM-UHFFFAOYSA-N 429.572 4.514 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@H]1CCC=CO1 1286750018 LUGFTPMPHZYRSL-GOSISDBHSA-N 440.544 4.943 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cccc(C)c1 1286782431 USNYGZDGKBJBJS-UHFFFAOYSA-N 449.624 4.523 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1288495113 CTVGBQLBIAKUNT-XHDOVSQSSA-N 441.626 4.623 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCO[C@@H]1CCCC[C@H]1C 1300650094 SHTFGGVYDUNDDC-NFBKMPQASA-N 426.580 4.851 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC(C)C)C(C)C 1300877979 YZTGCHZTZPBHOL-NZQKXSOJSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCn2cc(C)nc21 1300924632 GBQKSBJXCZJQPH-JOCHJYFZSA-N 448.615 4.959 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)C)C1 1300963612 XHLHLIGNQLPKHQ-GOSISDBHSA-N 425.360 4.601 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1300975497 VQQGVBJROUBQSW-TZYHBYERSA-N 440.588 4.570 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 1301009117 GYPFWNXNBBRRCS-XZOQPEGZSA-N 431.584 4.617 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2ccccc2OC)CC1 1301137110 KNAKHYWUWUKWQO-FQEVSTJZSA-N 425.621 4.725 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301198722 QBITVZQNXORVST-NRFANRHFSA-N 434.588 4.558 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1301231297 GVUMOEXTNDRXJT-PGRDOPGGSA-N 449.580 4.723 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCOC1 1301365320 LOLJFGFTFVTCMP-HXUWFJFHSA-N 438.597 4.765 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1Cc1oc2ccc(F)cc2c1C 1301397324 QVDKNTLFIFNKJC-UHFFFAOYSA-N 434.519 4.560 30 10 IJEE C=CCn1c(N2CCC[C@@H]2c2ccc(CC)o2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473400 AJIOCMORIIRINM-ZIFCJYIRSA-N 441.576 4.732 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC(C=C)CC2)cc1 1301525791 JZSCVNVTVMEKAN-UHFFFAOYSA-N 435.597 4.649 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2c(C)noc2C)C1 1301542321 MTFKJABROLRXEI-QFIPXVFZSA-N 449.599 4.871 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCOC2)C1 1301594575 HBSJQEXZFBUQDD-GBXCKJPGSA-N 442.629 4.571 30 10 IJEE C=CCn1c(SCc2ccccc2C(=O)OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307237655 GZTJYJKFOSUTDB-AWEZNQCLSA-N 440.590 4.848 30 10 IJEE C=CCNc1nnc(SCC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)s1 1307283080 FMRBPSBIHSNMKJ-UHFFFAOYSA-N 431.612 4.531 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)CCCC1(C)C 1309453843 YRVWNCLZLUYUOS-RTBURBONSA-N 426.420 4.703 30 10 IJEE C=CCC1(CNC(=O)N2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCC1 1312687511 XZLXNLOXCLJMIN-OAQYLSRUSA-N 449.636 4.571 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)cc1 1355889160 VOBSOABYSWDGLU-UHFFFAOYSA-N 447.560 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC12CCC(CC1)C2 1358880585 OYXOGLCDHYQADT-KKWNJKKUSA-N 443.389 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359068070 MUMLDMYPOIKGIZ-CUVVAGTFSA-N 437.607 4.833 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1 1359088254 FYYVOYWZRFJLIE-UHFFFAOYSA-N 432.391 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCC[C@@H]1CC 1359114213 CLDAMNXWEBZIHD-IBGZPJMESA-N 431.575 4.814 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359145259 KNGRBJBBNHBVHO-SUMWQHHRSA-N 439.785 4.630 30 10 IJEE C#CCN(C(=O)c1ccc(OC(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 1360557006 KNPBRZLJBQUMIA-FQEVSTJZSA-N 428.326 4.836 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(F)cc2I)c1 1435005587 SMZJGVAQWDHFOT-UHFFFAOYSA-N 445.231 4.852 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)C1 1458426324 BGAXBDIVXVKHEK-VQTJNVASSA-N 442.604 4.539 30 10 IJEE C=CCn1c(SCCc2cncn2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1458781667 KECFOTOAJHUDBH-UHFFFAOYSA-N 440.569 4.827 30 10 IJEE C=CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)Cc1ccc(OC)cc1 1459341533 GZYGYTWPCNDFOS-RUZDIDTESA-N 443.547 4.963 30 10 IJEE C#C[C@@](C)(CC)NCC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 1460133877 WNAAJFQMKAYANL-MHZLTWQESA-N 426.564 4.748 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](Cc2ccccc2)C(C)C)n(-c2ccc(F)cc2)c1C 1460773564 BACSDVFEGVEGNF-DEOSSOPVSA-N 432.543 4.900 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1460792831 YLECOWFFSBBFRU-MDOVXXIYSA-N 443.906 4.974 30 10 IJEE C=CC1(CC(=O)Nc2cc(I)sc2C(=O)OC)CCCCC1 1461170033 LRVCYKSBQBNVTC-UHFFFAOYSA-N 433.311 4.604 30 10 IJEE C#CCSCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1465291771 KGEIMOICZOFEFM-UHFFFAOYSA-N 432.574 4.554 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)cc1 1465340728 XFHBGSSJGRXGCZ-QAPCUYQASA-N 442.357 4.775 30 10 IJEE C#CCOc1cccc(NC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)c1 1465628756 VQYOEHOMOCMDOU-LJQANCHMSA-N 431.355 4.860 30 10 IJEE C#C[C@H](CC)NC(=O)CN(CCCCC)C(=O)OCC1c2ccccc2-c2ccccc21 1467769959 HNHZWOALENPUIO-HXUWFJFHSA-N 432.564 4.956 30 10 IJEE CC(C)Cc1ccc([C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 1468449885 BRKCLIWGAZZSMY-DQEYMECFSA-N 444.579 4.703 30 10 IJEE C=CCN(Cc1c(F)ccc(Br)c1F)[C@H](Cc1ccccc1)C(=O)OCC 1473385571 XAQHJJPCXQWHDH-LJQANCHMSA-N 438.312 4.890 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)c(C(F)(F)F)c1 1475400747 BVNUTHLRJCHKPX-HOCLYGCPSA-N 428.863 4.845 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)c1 1476033643 HNRLXMHBVYKAMW-UHFFFAOYSA-N 435.524 4.660 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCCOC2)C1 1507556506 IYTHUQAVQRZAPG-YADARESESA-N 442.991 4.882 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)CC(C)(C)C1 1507787836 LBXFDGYNDGWBIW-ZDUSSCGKSA-N 439.348 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(OC(C)C)c1 1507800130 MCIRKYJRDCHIOF-NZQKXSOJSA-N 435.572 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)S[C@H](C)C1 1507804176 DYSDULFKHSQKMJ-MNHFLQJXSA-N 440.657 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1507821487 DJIIPFWJJAHNIM-JOCHJYFZSA-N 436.522 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C[C@H]2CCCO2)CC1 1507912386 NJXFGWNSXMTTGO-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1507937965 VHBLAWAWEZASGQ-HXUWFJFHSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507944213 PSEMBQMCQSPBTD-SFTDATJTSA-N 425.577 4.501 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOC(C)(C)C 1507974486 HJSAGICDHOHIBQ-UHFFFAOYSA-N 427.774 4.798 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1cnn(C)c1C 1508009028 WFEODDUULMYWOU-UHFFFAOYSA-N 432.597 4.522 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1Cc1cnn(C)c1C 1508009220 MVGOSOCDXHFWQV-UHFFFAOYSA-N 438.988 4.943 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1508046505 BFHVSKGNIHNJDY-KBPBESRZSA-N 425.396 4.597 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C)C1 1508151421 LVKMSEWKBOSRHC-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cccs2)CC1 1508157320 DLOLPKGJGSFVBU-UHFFFAOYSA-N 446.045 4.906 30 10 IJEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H](c1cccnc1)C(C)C 1509019858 CBEAXRYQRFXXGR-DNQXCXABSA-N 444.583 4.686 30 10 IJEE C=CCN(C(=O)c1cc(N(C)C)cc(C(F)(F)F)c1)[C@H](Cc1ccccc1)C(=O)OCC 1516156167 OKTRGOVFELFLAA-OAQYLSRUSA-N 448.485 4.574 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(C)nc2Br)s1 1519075110 JKSDAZANTBVMLG-UHFFFAOYSA-N 432.796 4.943 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1521115750 QIRKCXVYUDEALL-NRFANRHFSA-N 444.620 4.796 30 10 IJEE CN(C)c1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ncc1Br 1526164655 AFQQGVJDAPBCAY-UHFFFAOYSA-N 437.297 4.826 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 1528415615 HFDOOHKJYIALLD-LSDHHAIUSA-N 439.350 4.646 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCCCC4)c(OC)c1 1530805042 FKLCQSPUPZGFBX-UHFFFAOYSA-N 434.488 4.783 30 10 IJEE COc1ccc(Cn2cc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cn2)cc1 1532017000 DRNCORAWXBUHDE-UHFFFAOYSA-N 442.450 4.995 30 10 IJEE Cc1cc2c(cc1Br)N(C(=O)C1(c3cc(F)cc(C#N)c3)CC1)C[C@@H](C)O2 1533945241 HDTJLEBPHUTHQF-CYBMUJFWSA-N 429.289 4.614 30 10 IJEE C=CCN(CC=C)C(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1538656129 HECXPFCOXWNHLW-UHFFFAOYSA-N 430.548 4.848 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CC2(CCOCC2)C1 1538971485 HDXPBZSVFSDRQM-MSOLQXFVSA-N 442.991 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccc(CC)s1 1538991506 AHJUDSXNRMRLMA-KRWDZBQOSA-N 438.597 4.873 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2cccc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1539086500 HEOQOUXVSOIEHS-RCZVLFRGSA-N 440.563 4.603 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)[C@H]1C 1539141156 YSNBOPMIOKVCLK-HUUCEWRRSA-N 439.412 4.908 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1539498533 UUPSOJYJXOXYSQ-AQNXPRMDSA-N 442.629 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@H]1CCO[C@H](C)C1 1539652203 OWWKPNOGYZHLQI-MOPGFXCFSA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c(N2CC[C@@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539975176 NMZWLPTURAQZBZ-VNTMZGSJSA-N 429.609 4.784 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1csc(CC)n1)C1CC1 1540095087 MESRJULVKFMSDO-HNNXBMFYSA-N 427.549 4.779 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1N(C)CCCC1(C)C 1540174772 PXZVESFGBVPQSA-QHCPKHFHSA-N 432.616 4.580 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](NC(=O)NCc1ccc(F)cc1)C(C)C 1540360558 WRJJNYXNQVVWKZ-LJQANCHMSA-N 437.968 4.579 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@H](F)c2ccc(Br)cc2)C1 1540890546 GLPBVGIHGITPET-MOPGFXCFSA-N 449.368 4.800 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCS1 1541983457 HHKKQSWOWFATEZ-JKSBSHDWSA-N 429.565 4.583 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C(/C)CN1CCOCC1)c1ccc(C)c(C)c1 1543114967 DRXLXXWENNOTQE-FXBPSFAMSA-N 434.580 4.680 30 10 IJEE COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)CNc1ccc(C#N)cc1 1543426119 APLJDOJLNFCBQF-UHFFFAOYSA-N 435.867 4.841 30 10 IJEE CCOC(=O)C(F)(F)[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1CC1 1544167723 GQFAZXVWBZHGHT-IBGZPJMESA-N 448.853 4.711 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)cc1 1545863733 ZIEKPJHKKRRTOA-UHFFFAOYSA-N 440.609 4.648 30 10 IJEE C=CCn1c(SCCCCn2ccnc2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1559308199 ZSDYAAWCJJULAH-HNNXBMFYSA-N 428.627 4.846 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2)c1ccc(Br)cc1 1562896648 VJVSKDCRWRFXFB-GOSISDBHSA-N 434.284 4.526 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1OCC 1564943995 SAEQQIPXTXCPGR-TZIWHRDSSA-N 448.032 4.636 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1)c1ccccc1 1565277776 XPZQUONDJAMKSE-DEOSSOPVSA-N 437.584 4.629 30 10 IJEE C=CC1(CC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CN(C(=O)OC(C)(C)C)C1 1565704008 VQPWSLVDNMUMFD-GOSISDBHSA-N 437.005 4.770 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1569920955 YZWVNTBGAXSISW-UUOWRZLLSA-N 432.564 4.715 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1nn(-c2ccccc2F)cc1Br 1583695957 QRPDYLQERZRODT-MRXNPFEDSA-N 428.305 4.691 30 10 IJEE C=CCc1cc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc(OC)c1OC 1583744926 LAHWOWWSISWCAI-CWAQXLGLSA-N 434.580 4.748 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCN(c2ccccc2)C1=O 1584443130 ISWGUGCCDNKDKL-IBGZPJMESA-N 445.332 4.546 30 10 IJEE C=C[C@@H](OC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1ccccc1 1587283270 QGWZPOCGMKOKDV-VLCRHTCISA-N 425.525 4.956 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](c1ccsc1)N(C)C 1587932156 MFUACBZRWPERMU-IBGZPJMESA-N 439.654 4.709 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1cc(C(CC)CC)no1 1589228270 LTDLABWBUPGNHG-HSZRJFAPSA-N 438.601 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC1(C)C 1589513828 BZTSRKHOVGMUDR-UGKGYDQZSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1589582004 YDKSYDBSKKXRJB-WWMYMODYSA-N 446.020 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1C[C@H](C)O[C@@H](C)C1 1589608424 HTLXKIZWKMFSCI-GJZGRUSLSA-N 436.398 4.642 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCOC(C)(C)C 1589731550 PUDSCXMERCTNGM-UHFFFAOYSA-N 437.382 4.544 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CC=C(C(F)(F)F)CC1 1593923658 OEQTWUGUOKFFMN-UHFFFAOYSA-N 442.869 4.707 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@H]2CCCCO2)CC1 1594438582 VTVUWESRJHFJMU-HXUWFJFHSA-N 442.629 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1594473478 SNQLLLKNMCEASP-RTBURBONSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1594511068 KABRWKCOOSAGBR-HKUYNNGSSA-N 431.625 4.572 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccco2)CC1 1594599912 BFSOGYZALDJBBT-UHFFFAOYSA-N 439.947 4.510 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1594644363 AROVQOFELZLFCA-OAQYLSRUSA-N 439.633 4.645 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1594687351 NUWQUZRNEOGZQO-IBGZPJMESA-N 442.514 4.859 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1 1595845655 YGTYXYYUWQQJOT-XUZZJYLKSA-N 426.630 4.746 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 1596808849 BIQDFHQJQGEDJP-IBGZPJMESA-N 430.524 4.816 30 10 IJEE C#CCN(C(=O)c1cc(C)cc(I)c1)[C@H]1CCCc2ccccc21 1611222667 HFLFBSBLNRJRLG-FQEVSTJZSA-N 429.301 4.753 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1612740959 CZEUAMZENVIUCK-DPLHUUCSSA-N 434.632 4.954 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccccc1OC 1613215516 OIVPBXDRPHWLIV-FQEVSTJZSA-N 441.528 4.545 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)CC2(c3ccccc3)CC2)n(-c2cccc(F)c2)c1C 1617224570 CQOLRQHZJHBNMF-UHFFFAOYSA-N 430.527 4.707 30 10 IJEE C=CCN(C(=O)CN(CC)CCOC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1617821340 GYVIWVXAKOGLRI-UHFFFAOYSA-N 428.385 4.604 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 1620962426 DUOUXYJUDHPNEI-UHFFFAOYSA-N 440.544 4.608 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cccc([C@@H](C)C(=O)OC)c1 1625543255 YFIWQOJNARUYEE-CYBMUJFWSA-N 433.302 4.934 30 10 IJEE C=CCc1cc(CNC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)cc(OC)c1OC 1625994415 ZEOBVZZOBJKVBX-SFHVURJKSA-N 446.547 4.907 30 10 IJEE COc1ccccc1-c1csc(C2CCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)n1 1626716664 DEMVXEKYUYJZHV-UHFFFAOYSA-N 433.537 4.805 30 10 IJEE C=C(Br)CNC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 1630505213 ACLWCMXNCUQOJM-INIZCTEOSA-N 442.126 4.885 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OCC(F)(F)F 1631002979 LWVGJWDKBXCJIP-CQSZACIVSA-N 436.858 4.911 30 10 IJEE C=C(Cl)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1638366729 BNQHQVINFQKRIB-UHFFFAOYSA-N 433.744 4.585 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)c(Cl)c1 1639822282 ZPFBCBOLEKDDFI-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE CCCOc1ccc(O[C@H]2CCCC[C@@H]2NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 1642758765 CPYFEBQZNDKHDV-GMAHTHKFSA-N 441.959 4.919 30 10 IJEE Cc1oc(NC(=O)CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c(C#N)c1C 1643215538 BYJIJEYTMIROGB-UHFFFAOYSA-N 442.441 4.823 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])Cc2ccccc2)c1 1644928436 YJEIMTSANUTRFA-UHFFFAOYSA-N 429.476 4.620 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccc(F)c2ccccc12 1650684075 GAIVKYQMDRCYPI-HXUWFJFHSA-N 428.504 4.527 30 10 IJEE C=CCN(CC(=O)OCC)c1ncnc2scc(-c3ccc(Br)cc3)c12 1650873166 FGJVBHZNAHEXNJ-UHFFFAOYSA-N 432.343 4.676 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(Br)cn2)nnc1-c1ccccc1C 1652701203 DOKBJPKYRVACBH-UHFFFAOYSA-N 429.343 4.572 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2C#N)C1 1653427079 IDTLOUIXYATXIL-AGHHOFFYSA-N 432.593 4.845 30 10 IJEE C=CCOCCSc1nnc2n(-c3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc3n12 1656104776 RRKGMDKEEYWYOU-KRWDZBQOSA-N 434.565 4.842 30 10 IJEE C#CCCOc1ccc(CN[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1657645510 WHJMGDYXMHBZTN-LADGPHEKSA-N 428.935 4.721 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 1661603656 DNVHAIHEWLNPON-UHFFFAOYSA-N 435.254 4.851 30 10 IJEE CC(C)C1CCC(N2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)CC2)CC1 1661643578 AGPXMAQYUVWXKY-UHFFFAOYSA-N 433.394 4.685 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(CNC(=O)OC)cc1 1670845758 TZILTJSDRREVQF-UHFFFAOYSA-N 434.290 4.514 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)COc1c(F)cccc1F 1672214251 IMZIFVLKGLSTEM-GFCCVEGCSA-N 441.272 4.881 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc(Br)cc2Cl)c1 1674197185 CVNCFBXJGRPGIB-UHFFFAOYSA-N 430.636 4.897 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)cc1 1679826141 IQQWICVLTQQCFJ-PXNSSMCTSA-N 433.886 4.584 30 10 IJEE C=CCCC1(CNC(=O)NCCc2cn3cc(Br)cc(C)c3n2)CCCC1 1679981869 YGVZQGZBPSLIDR-UHFFFAOYSA-N 433.394 4.774 30 10 IJEE C=CCCSCCNC(=O)NCCOc1c(Cl)cc(Br)cc1Cl 1681217140 MRZKLLXOMVQGFL-UHFFFAOYSA-N 442.206 4.743 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1681941911 FNHWBELQESLFFM-YTFSRNRJSA-N 441.616 4.852 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 1684994456 LQPBLSURAPYNBS-OAHLLOKOSA-N 437.300 4.793 30 10 IJEE C#C[C@@H](NC(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1686922136 BJOXZKKPGCCPQM-QGZVFWFLSA-N 425.932 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1CCOC1 1689827945 KDUYZIXFGLQIDS-FHWLQOOXSA-N 430.980 4.573 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCn1ccnn1 1690257472 KOTYJPLPSFSFPK-UHFFFAOYSA-N 441.992 4.897 30 10 IJEE C=C(Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccccc1 1690322364 BSHRCXMCMAFSTE-HXUWFJFHSA-N 443.473 4.601 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](COCC)C1 1690328264 IEEBNWCONRGBEC-JKSUJKDBSA-N 425.360 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1690365602 ANZSCPLTKIKQGG-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(CC)(CC)OC 1690520147 LEOIHGKFFZJSQM-UHFFFAOYSA-N 437.382 4.544 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCSCC(F)(F)F)C1CC1 1690546938 PAUGWTQLNLISJP-UHFFFAOYSA-N 432.462 4.597 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1Cc1csc(CC)n1 1690571758 HZNMEXQZJIOSFT-LJQANCHMSA-N 427.549 4.529 30 10 IJEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CC[C@@H](F)C1 1692154872 CSHWALOSDKIJOM-VQTJNVASSA-N 425.552 4.534 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1695237001 GPHSZFLQDLMCKT-IRLDBZIGSA-N 445.615 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOC(C)(C)C 1705482503 AQXZFLQCXWIJRV-CYBMUJFWSA-N 439.785 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSc1ccc(C)cc1 1705506346 VXTJYEYRKIWQKS-HMXCVIKNSA-N 426.630 4.755 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC1(COC)CCCC1 1705577815 UUXBXXPCHJRUFG-UHFFFAOYSA-N 432.612 4.912 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN(C(C)C)C1 1705676746 NDTIHMMHUDVVCX-RPLLCQBOSA-N 433.644 4.566 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705726198 XRPDMTPWVSUKFW-IFMALSPDSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnc(C)s1 1705788210 SOSAVZCFBXBWCF-UHFFFAOYSA-N 425.558 4.677 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(NC(C)=O)CC1 1705800869 MCNOUOOHULGOTM-QGZVFWFLSA-N 441.645 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C1CCCCC1)N(C)C 1705836022 BFLVZAKGXMYIAZ-HXUWFJFHSA-N 433.547 4.679 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(N(C)C)CCCC1)C1CC1 1705849659 SDAIHKIKXGXYOR-GOSISDBHSA-N 427.568 4.586 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CCc1nnc2n1CCCCC2 1705859364 PZTFWUPSKAJISD-HXUWFJFHSA-N 433.604 4.545 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCSC1 1705880013 RELOOEWRMJFQQO-SFHVURJKSA-N 426.561 4.589 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1705882394 VQGLYRDIOHPPTO-SFHVURJKSA-N 434.531 4.808 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)(C#N)CC1 1722311714 ZWYLAIOEPRNQMG-UHFFFAOYSA-N 444.352 4.780 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722338316 ICPDSRSYBBVRTJ-MSOLQXFVSA-N 432.037 4.556 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 1722338331 IHXFATGCMJMLFB-UHFFFAOYSA-N 432.037 4.558 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCCCCC[C@H]21 1722465596 PAKZEQWQRMJGLC-AZUAARDMSA-N 428.577 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1C(C)C 1722495906 ULZQIAOLZAOIHU-TZYHBYERSA-N 440.588 4.568 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 1722539100 GKCRGQTWKZUFTQ-UHFFFAOYSA-N 439.604 4.999 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1722590396 DDZDOSUFFDEGMH-WJOKGBTCSA-N 437.613 4.625 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722626419 MJHIYJZIINASNG-PXNSSMCTSA-N 439.362 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1722668637 VKUYRPRPERIULO-IEBWSBKVSA-N 441.576 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)CCOC)C1 1722717528 KUDYKYKBXGHFKF-QGZVFWFLSA-N 436.959 4.582 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(c3ccc(F)cc3F)CC2)C1 1722719468 UTWYYHBKUOMMRC-SFHVURJKSA-N 430.543 4.658 30 10 IJEE CC[C@@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCN1CCC(C)CC1 1726897513 BRUZGFSUGIMUAC-OAQYLSRUSA-N 434.632 4.954 30 10 IJEE CCc1ccc(Cn2c(N(CCOC)Cc3ccc(C#N)cc3)nnc2C(C)(C)C)s1 1727403725 GBBFPHPRCRJQCH-UHFFFAOYSA-N 437.613 4.772 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1740569186 DKYDQMPGFAWUTM-VWNXMTODSA-N 444.627 4.576 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CCC(N)=O)CC1 1740569822 KGGGDSFAQFZAAW-UHFFFAOYSA-N 448.398 4.537 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCC2(C)C)CC1 1740691557 ILCRXJZGOQJSJW-QHCPKHFHSA-N 433.644 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740757690 RAEPFSHZFIPWMM-CTIGNXTNSA-N 442.579 4.707 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(C(C)C)C(C)C)CC1 1740820525 HLFNQJJEQRZLCY-UHFFFAOYSA-N 432.012 4.882 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[C@H]2CCCCO2)CC1 1740821116 AALXQYPUVLLNLM-OAQYLSRUSA-N 440.588 4.858 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 1740852931 VBDQTBIBDTUTCR-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1)c1ccccc1 1740856403 SPFNJLSLNMUJHQ-FGZHOGPDSA-N 437.588 4.620 30 10 IJEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(Cc1cccs1)C(C)C 1740875096 RKGYLRGJGJAEOR-UHFFFAOYSA-N 448.596 4.635 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCCC[C@@H]2C1 1740942890 QREBFEBDEVBCBD-AZUAARDMSA-N 429.996 4.549 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCN2CC)C1 1740974070 BJLNXEYVFVOUGO-DHIUTWEWSA-N 437.632 4.508 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1741004986 BHXRJWAWUPVZBW-XMMPIXPASA-N 444.645 4.726 30 10 IJEE CCC[C@H](Cn1c(C2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1745272994 FUDPXNDUOIFGEG-HSZRJFAPSA-N 437.588 4.670 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1748937944 VYEPKCSGUWMCAF-GOSISDBHSA-N 432.515 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1749066722 NFMAICHNQWACKA-HCLVMJGWSA-N 428.964 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1749131825 WCQGCZBEAKEFQK-KBOSCXGNSA-N 443.680 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccccc1C 1749133220 JCVGYBVHURJXPZ-XTJBDQBJSA-N 431.584 4.751 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2cncn2)CC1 1749411895 HKPXTWZVYAOESN-OAQYLSRUSA-N 449.603 4.509 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1749429229 JMZGDMLMKVWAAT-JRFVFWCSSA-N 437.632 4.975 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1csc([C@@H](C)OC)n1 1749465523 FTMMYFHDAIOQID-ZWKOTPCHSA-N 441.601 4.869 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@]1(N(C)C)CCSC1 1749548684 HEKHQIGRMOEUPC-JOCHJYFZSA-N 443.642 4.538 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1C 1749589759 GDKIMXQUJKXWIE-UHFFFAOYSA-N 427.552 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1760115430 GLCDXJYTLYMZPT-NQIIRXRSSA-N 426.992 4.862 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCS1 1760123413 FONTZZGFGHLOFD-UKRRQHHQSA-N 425.385 4.517 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1760158207 GMDVGZKYSHALDZ-WOJBJXKFSA-N 442.991 4.567 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@@H](C)C1 1760274809 UTJBCFOIBBAZHL-MRXNPFEDSA-N 433.419 4.700 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1760275499 YNOHBEQRJQUSGH-HNAYVOBHSA-N 436.984 4.528 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC=C(C)CC1 1760276927 UEJXAVYMMPNNAA-UHFFFAOYSA-N 434.565 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCCCC 1760289181 JUNSMMAMOJLKOI-HOYKHHGWSA-N 426.630 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@@H](CC)Oc1cccc(F)c1 1760294223 RARGMMQSHFUWAO-ZILOHOTNSA-N 426.536 4.509 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CCC(C)(C)CC1 1760311898 DQFPZIZCHCFZIW-UHFFFAOYSA-N 449.393 4.791 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1 1760317369 FGBKATAKJFBNDM-XLIONFOSSA-N 427.936 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCC[C@H](C)C1 1760339514 LBQGTYAMEJKCQM-VXKWHMMOSA-N 434.632 4.804 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1760345636 LBFVNZTZMDHJLY-JBACZVJFSA-N 443.636 4.984 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCC(C)(C)COC)CC1 1760402641 PRKMIJZKCRWOFV-JOCHJYFZSA-N 440.588 4.646 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](c1ccco1)N(C)C 1760457600 YVAVTXIGTSNDKG-AEFFLSMTSA-N 425.602 4.650 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1Cc1ncc(CC)s1 1760479789 ARGUTXQFNPTJCU-NRFANRHFSA-N 448.596 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC(F)(F)Br 1760485472 DOFDPSFNECBVEH-UHFFFAOYSA-N 442.333 4.525 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2cc(Cl)ccc2C1)C(C)C 1760489853 LPRRJRSCBRKOPC-JOCHJYFZSA-N 428.024 4.755 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760507945 SRAISRLIHGWBKN-OAHLLOKOSA-N 431.874 4.506 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCc1ccc(Br)s1 1761358779 FCNVUKXALJGQRW-AWEZNQCLSA-N 430.375 4.750 30 10 IJEE CC1(C)CCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1761542203 FDMRXOMMZZCFNM-GOTSBHOMSA-N 445.970 4.809 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(CC)(CC)OC 1765071338 HNTJERNGFYVDCA-AZUAARDMSA-N 425.577 4.559 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1770403019 GWDDITBKYUNBOD-AZUAARDMSA-N 425.602 4.639 30 10 IJEE COc1ccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccs3)n2)cc1 1857808446 CKPLTBVSBABIKQ-UCQKPKSFSA-N 433.562 4.930 30 10 IJEE CCc1cccc(CC)c1NC(=O)COc1cccnc1NC(=O)Nc1ccccc1C#N 1858829570 SCQDYNDJVQEXHC-UHFFFAOYSA-N 443.507 4.740 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCc1ccccc1 1861813495 FPPYUWRDQCFWOE-DEOSSOPVSA-N 426.576 4.963 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(C)c1 1862490217 QDUMLFOYNHLXRR-XMMPIXPASA-N 434.580 4.922 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862586961 GIUQVIYLIIVVFP-HXUWFJFHSA-N 445.346 4.974 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCC)c(OCC)c1 1862602306 ZCPBWHDUFMIIOS-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 1862603458 ZTWLYZLUYUKKKM-DEOSSOPVSA-N 443.499 4.878 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(OCCCC)cc1 1862645188 BWJMCOMJLZNPFB-JOCHJYFZSA-N 439.483 4.778 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2ccc(F)cc2Cl)C1=O 1863063559 TTXRUZJMENBRTR-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)c1 1866731265 UZLSTSJWUZMNHN-IZZNHLLZSA-N 437.543 4.808 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1C 1870099488 IJDLYRZAVWRWHN-UHFFFAOYSA-N 437.569 4.803 30 10 IJEE CCCCCCCCCCNC(=O)c1cn(C[C@@H](O)c2ccc(Cl)cc2)c(=O)cc1O 1870120893 IJNBFMFLEBSPTH-JOCHJYFZSA-N 448.991 4.811 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CSc1ccccn1 1870304408 QCYYXSVDKWBTHY-UHFFFAOYSA-N 445.629 4.801 30 10 IJEE CCCCOc1ccc(NS(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 1871282259 ZBXIBVCLFUZPTN-UHFFFAOYSA-N 431.901 4.846 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccco4)c3C)C2=O)c(OC)c1 1871369409 KOSFGJSFIWEGRK-YAWPGIFISA-N 432.428 4.840 30 10 IJEE Cc1c(OC(=O)c2ccc(/C=C/C(=O)O)cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871382469 WTSPUAXSXKTKFP-XFXQNUIPSA-N 426.424 4.928 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3ccccc3)C4=O)CC2)c1 1871397606 BZZCEIWWYNPXCA-UQQQWYQISA-N 426.516 4.639 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871447768 AURLMGJYEWYVMZ-BDQMVGTNSA-N 431.444 4.813 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(C)cc(C)c3)ccc2C1=O 1871454355 LFYAWXDEAPVUBG-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)cc1 1872717423 USSNLTCIAWAJFS-LJQANCHMSA-N 442.581 4.580 30 10 IJEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1C 1872787378 IRNOJXKQDGXKMR-GOSISDBHSA-N 436.533 4.872 30 10 IJEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1CCCCCCO 1872796334 VJGOMBLSFWMJLD-UHFFFAOYSA-N 433.577 4.542 30 10 IJEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(c3cccc(OC)c3)CC2)c1 1872846798 SHSFPIRRWNIOKN-UHFFFAOYSA-N 442.559 4.965 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2ccc(F)cc2F)cc1OC 1874200010 GPOODQCKGPQARE-AFUMVMLFSA-N 446.523 4.743 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874267239 NKGZTQISVVWWKD-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874372464 ANWFWWHRAAUSQE-WGOQTCKBSA-N 446.507 4.831 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OCCC 1874429898 IAQMXNRDIKDKDR-LFVJCYFKSA-N 438.553 4.661 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 1874464151 UDRRSDAVRYFLQU-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(F)cc1)c1ccccc1 1874485638 GJFZPEFPBTXCIM-MMDHUZEPSA-N 439.560 4.566 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CC2)c1 1874516178 KIGAEPCRDLGITD-MFKUBSTISA-N 449.580 4.866 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1ccc(C)c(C)c1 1874522108 BWNXGBMGGNCPPP-MFKUBSTISA-N 449.580 4.635 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC 1874620072 HOEVSEOYFIPOCK-BQYQJAHWSA-N 432.900 4.894 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1 1875113101 WOBGYHXINHMLAN-MKMNVTDBSA-N 432.472 4.757 30 10 IJEE FC(F)(F)[C@@H]1CCSC(=NCc2cc(Br)ccc2Br)N1 1918516077 UPSKWXYZOJVKKB-JTQLQIEISA-N 432.103 4.725 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(OC)cc1Br 1922066625 VJAJCHSJMZFLBW-YADHBBJMSA-N 434.374 4.632 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@]2(C)C1 2005136208 SSWZDNCSYMWFDY-KPOBHBOGSA-N 447.498 4.715 30 10 IJEE N#Cc1ncc(Br)cc1Nc1ccc(I)cc1Cl 2048648776 ZHVNYISRHAVVIX-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)[C@H](NC(=O)OC(C)(C)C)COC2(C)C)cc1 2081877410 SXFAXWMRRXGJIE-KOSHJBKYSA-N 445.560 4.701 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCCC 2110494704 JWANQDULZBCXDT-ROUUACIJSA-N 443.813 4.930 30 10 IJEE CN(C)CCN(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2116144758 HFFGZNACCAMDFI-UHFFFAOYSA-N 448.338 4.573 30 10 IJEE C=CCN(CC[C@@H](NCCC)c1c(Br)cnn1CCC)C(=O)OC(C)(C)C 2155516539 KXAAETATWBHOQG-QGZVFWFLSA-N 443.430 4.910 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C)(C(=O)Nc2ccc(Br)cc2C#N)CC1(C)C 2199606113 MIQCDLJCCRVKQC-HXUWFJFHSA-N 436.350 4.685 30 10 IJEE COc1cc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 2210615429 FZFNKCGVFUZWRD-UHFFFAOYSA-N 443.503 4.839 30 10 IJEE N#Cc1cc(CNc2ccc(Br)cc2I)ccc1F 2231677137 ZGTKMFAZFXQHMK-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(N)C#Cc2ccccc2Br)cc1 2235720500 PNECJFVVBNDUNZ-QFIPXVFZSA-N 429.358 4.699 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2235721287 AXBONCJWGIZQDA-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2ccccc2Br)CCC12CCC2 2235739047 FJOORESSGXGABL-IEBWSBKVSA-N 434.374 4.731 30 10 IJEE CN(C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 2243910711 JOVHPGQOJOEGLT-UHFFFAOYSA-N 439.515 4.838 30 10 IJEE C[C@H]1CN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@H](C)[C@H](C)N1Cc1ccccc1 2255534126 CKLBQKHTRQCPAB-SLFFLAALSA-N 426.410 4.513 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(O)C#Cc2ccc(Br)cc2)cc1 2296284564 SAXXQEOFCNMQCF-QFIPXVFZSA-N 430.342 4.733 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296299055 QNPBYYVNQIWQCJ-PWIZWCRZSA-N 435.406 4.672 30 10 IJEE O=C1NC(=NN=Cc2ccco2)SC1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314480596 KHTBVPGWRIMIGG-UHFFFAOYSA-N 439.500 4.726 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CC(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317352614 BAILMGLZLDEFSG-UHFFFAOYSA-N 430.354 4.551 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1N=Cc1ccccc1OC(C)C 2321141481 NBXNWJNORONCBB-UHFFFAOYSA-N 437.569 4.604 30 10 IJEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2323388354 WUWDXAPDIKSMJL-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1)Nc1nccs1 2323581092 UIBSDKCJORCVRL-UHFFFAOYSA-N 443.322 4.819 30 10 IJEE O=C(C=Cc1cc(Br)c(OCCCO)c(Br)c1)c1ccccc1 2323808769 XCWIITIQRYHYID-UHFFFAOYSA-N 440.131 4.869 30 10 IJEE Cc1cc(O)c(CN(C)C2CCN(C)CC2)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324035204 GKQJJTPDXYUCDY-UHFFFAOYSA-N 434.580 4.966 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)c(OC)c1 2324464684 WPFMTAGEQZJLCE-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325086344 HPFBMFUIAGLWID-SFHVURJKSA-N 425.437 4.630 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C(=Cc2ccc(OC)cc2)c2ccccc2)nc1C 2325345494 ULVLIFNEVZZZJF-UHFFFAOYSA-N 434.517 4.982 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)Nc1c(F)cccc1F 2325507135 HVBGCYQGVXTNLZ-UHFFFAOYSA-N 425.362 4.738 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(Br)cc1 2326795797 ZBKVBQAPAGOELM-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE C[C@@H]1Oc2ccc(C(=NOCCCOc3ccc(Cl)cc3)C3CC3)cc2N(C)C1=O 2330339372 QUZUHUBINNYTQI-HNNXBMFYSA-N 428.916 4.684 30 10 IJEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(F)c2)c(O)c1 2330358770 GVYIPMXKJUTNKE-UHFFFAOYSA-N 440.525 4.655 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 2331070768 HJUNXNNTKVPDGE-UHFFFAOYSA-N 448.431 4.512 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2)c1 2331114449 XFUKNQSZZRZYSF-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3nccs3)nnc2C(C)(C)C)cc1 2331390098 INMWLKUQJWSNQX-UHFFFAOYSA-N 442.614 4.769 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2)c1 2331436083 GEVJUZYGZAHOOG-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2360197613 QNPBYYVNQIWQCJ-AHRSYUTCSA-N 435.406 4.672 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)nc2)OC1(C)C 2365126803 XUSIIANDOIJFSH-YYTYUTFWSA-N 445.416 4.829 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3cc(Br)c(F)cc3Cl)C2)OC1(C)C 2368337511 SFVBLBHFZRDSDS-SFHVURJKSA-N 446.553 4.940 30 10 IJEE Cc1cc(CNCc2sc(Br)cc2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681566 ROMZIVQTIAZJNO-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE Cc1cc(CN(C)[C@H]2CN(Cc3ccccc3)C(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369736702 CUIPMXONAWDJFJ-RUZDIDTESA-N 448.460 4.779 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cccc(OC)c2OC)C3=O)cc1 2154898 CQQPLBLAOYEUCQ-LPYMAVHISA-N 432.428 4.548 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CCCCC3)c3ccccc23)cc1 20439367 ARJATSLOOVMPBD-UXZSZYKQSA-N 432.564 4.783 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)S/C1=N/c1cccc(C(F)(F)F)c1 33676872 GUMCALFQKSORJJ-OFBVGVCLSA-N 441.862 4.949 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)N3CCCC3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 37397773 ZDUZUZJUWVOAEN-UHFFFAOYSA-N 449.536 4.568 30 10 IJEE C=CCOc1cccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCOC)c1 39911724 MLNBQVZRYQMEBE-DEOSSOPVSA-N 447.535 4.546 30 10 IJEE CC1(C)[C@H]2CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)c1nc(C#N)c(C#N)nc12 101107824 AXUBPOPDCNBGCT-DCFHFQCYSA-N 445.482 4.519 30 10 IJEE CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)c(Cl)c1 101391519 OVWBZVLSMCKTFE-CVIUTVQRSA-N 426.300 4.723 30 10 IJEE Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(C)cc1C(O)(C(F)(F)F)C(F)(F)F 137982834 NIXGCKQIGGBVTF-UHFFFAOYSA-N 438.208 4.928 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 169956122 YODIZPQTXUFWDJ-XMMPIXPASA-N 441.531 4.543 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)o2)c1 170102386 HSBNZJBUWKKKFD-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170116860 CZLYGPCQPBIDIX-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccccc1OC 170125214 DPEVXBKZFVWHSG-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)c(C)c1 170190521 RTCMSHNANFXTFN-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccncc2)cc1 170197859 GMRALIZFLFMXDI-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccncc1 170200683 XDARRANLEIGWOV-JOCHJYFZSA-N 428.488 4.798 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccncc1 170212280 JXPBJLPSEVFWIU-IBGZPJMESA-N 426.900 4.573 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)c(OC)c1 170249356 VEFQSRTXPSVUAE-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)ccc1OC(C)C 170260711 GNFSYMNVQOGWHN-QHCPKHFHSA-N 447.487 4.859 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)ccc1Cl 170306920 IIODCSSCQBQKBI-LJQANCHMSA-N 427.840 4.622 30 10 IJEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(O)c2)cc1 170385380 NJFSOHQFPKWFII-HSZRJFAPSA-N 444.487 4.605 30 10 IJEE CC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)c4ccncc4)[C@H]3c3ccco3)cc2)CC1 170400228 MNOPKGAWELHJMV-HSZRJFAPSA-N 443.503 4.694 30 10 IJEE Cc1cccc(NC(=O)c2c(N)n(N=Cc3cccs3)c3nc4ccccc4nc23)c1 254414897 MPQGTYYGZLXRSD-UHFFFAOYSA-N 426.505 4.671 30 10 IJEE N#C[C@@H](CNc1ccc(I)c(Br)c1)c1ccccc1 311954977 NSIYGORFRQCEQD-LBPRGKRZSA-N 427.083 4.773 30 10 IJEE C#CCOc1ccccc1CNc1ccc(Br)c(I)c1 383547194 RMTKZHRMJWVDQE-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE C=CCCc1ccccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 410361313 CVNZLFDGVCRMBJ-IBGZPJMESA-N 446.334 4.956 30 10 IJEE Cn1cc([C@H](NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)C(F)(F)F)cn1 446185362 VUUHFOGXEQRBMZ-RYUDHWBXSA-N 448.289 4.645 30 10 IJEE C=CC[C@@H]1N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC2)CCCC1(C)C 461592165 OPVVIGYRLKRHTC-GCJKJVERSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)c1ccc(F)c(F)c1 477756376 VRIDXNBGOQPRLO-QHCPKHFHSA-N 439.506 4.593 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 508955154 DCZSULVVEVFZPU-MRXNPFEDSA-N 434.441 4.635 30 10 IJEE C=CCCCN(C)C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 522951306 ZOZDFQDVGDWDMZ-NOZRDPDXSA-N 436.552 4.613 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(OCC(C)C)c1 526828486 GDFILKGJCSAOFR-UUYOSTAYSA-N 425.514 4.704 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 543873151 GVFZNUGDFPWPRQ-UGSOOPFHSA-N 449.498 4.528 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 549287846 OJCSKSKZZPGZTF-GOSISDBHSA-N 440.979 4.989 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N3CCCCCC3)C2)c1 585964573 HOUPORVOICRRIR-JOCHJYFZSA-N 426.605 4.714 30 10 IJEE Cc1cccnc1N(C(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586297354 ICFVSKOKOHPURT-UHFFFAOYSA-N 433.533 4.595 30 10 IJEE N#Cc1ccc(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(F)c1 615754503 ZCTDWSDUTTZNPO-UHFFFAOYSA-N 433.270 4.693 30 10 IJEE N#C[C@@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccccc1 700313277 ISOGGZSAUDSFNP-HOYKHHGWSA-N 426.472 4.676 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739590244 HOTANFZKTGFNFG-RTBURBONSA-N 425.554 4.596 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 744028523 JJBUFFHBKAZKNT-LJQANCHMSA-N 437.515 4.896 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CCc3ccc(C(C)=O)cc3CC2)c1=S 755773606 IJTHMWIWMCPPRJ-UHFFFAOYSA-N 432.593 4.836 30 10 IJEE C=CCN(C(=O)CN1CCOCC[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 775566886 RGHXQSRDHZLDPO-AWEZNQCLSA-N 440.396 4.747 30 10 IJEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1C 792747574 AOMWWOXNNZIOAI-UNMCSNQZSA-N 447.560 4.570 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)nc(C(F)F)n2C 798801905 JWEDWUDQDHHSAU-UHFFFAOYSA-N 431.464 4.585 30 10 IJEE C=CCSc1ccccc1C(=O)N1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1 849540379 FJHLAQAPUKAVEX-QFIPXVFZSA-N 425.598 4.811 30 10 IJEE COc1ccccc1CSc1n[nH]c(NN=C(C)c2ccc(Br)cc2)n1 1084277109 BOBUFPNHNTUSMN-UHFFFAOYSA-N 432.347 4.704 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 1129784105 IOJYUCATHDZKTG-AEFFLSMTSA-N 441.622 4.939 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 1130463830 YBVVDIDRCVZGTM-UHFFFAOYSA-N 429.341 4.864 30 10 IJEE C=CCn1c(SCC(=O)NCC(F)(F)CC)nnc1-c1ccc(Cl)cc1Cl 1131282472 VLGUNVWLQMNKJM-UHFFFAOYSA-N 435.327 4.692 30 10 IJEE Cc1cc(C(=O)NCCc2ccccc2OCc2ccccc2)nn1-c1cccc(C#N)c1 1131919698 DEUCCXFTXNPKHF-UHFFFAOYSA-N 436.515 4.604 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(Br)c(Cl)c1F 1135049362 WJYIGJDNTHBBNY-LBPRGKRZSA-N 448.720 4.767 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 1158880565 BDGCVBWIGRREIY-WBMJQRKESA-N 441.359 4.772 30 10 IJEE C=CCn1c(SC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nnc1-c1ccc(F)cc1 1164591562 GOFYGHQQHXFHOQ-WBVHZDCISA-N 432.565 4.865 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1sncc1Br 1206202918 KDXCDLCNUPQRAD-UHFFFAOYSA-N 447.152 4.555 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OC(F)(F)F)ccc1Br)c1ccc(F)cc1 1220231688 NSDHIBFWUMUZAM-CQSZACIVSA-N 431.183 4.983 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 1224522141 KBAYBYNMLAROKH-MOPGFXCFSA-N 431.458 4.817 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(F)c1 1264894905 BPPYDGOAULFGHL-XMMPIXPASA-N 433.914 4.831 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F)c1ccccc1 1277181208 PQISEGGGOXZUQS-RTBURBONSA-N 432.442 4.762 30 10 IJEE C=CCCC1(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CCCC1 1279011717 RSEFXPJCNKVPCF-IBGZPJMESA-N 433.390 4.583 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1csc(C(C)C)n1 1286283638 TUNNBZMEQFFYMJ-OAHLLOKOSA-N 444.004 4.888 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccco1 1286419962 IYAHWJCDPIMDBB-IBGZPJMESA-N 436.943 4.793 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1c(C)noc1C 1286436787 VVORVIITPQZEKP-AWEZNQCLSA-N 442.361 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCCN1CC 1286437266 JRBIMMIGAFCAJD-OAQYLSRUSA-N 448.640 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC1(CCOC)CCCC1 1286527270 GQYJIRJEIBMFEV-XMMPIXPASA-N 440.563 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286548787 BUJJRRBETWABTD-DWIQEWEKSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1286560809 JBYCUWUNPDFZIE-WVBUVRCRSA-N 439.510 4.797 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1286617519 OHEMQGQASGJIPK-FQEVSTJZSA-N 437.975 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1286669659 NJXBXRFKFFWZPK-QHCPKHFHSA-N 431.584 4.780 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(C)(C)C)CC1 1286684408 JFILWRATEMSYCP-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1286708314 CSYABOCSEGGKCE-UTKZUKDTSA-N 442.560 4.705 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C1CCCCC1)N(C)C 1286716642 JLQAETFNJFRNIQ-DEOSSOPVSA-N 432.616 4.934 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1286729451 VIIYYXGJQCDPOR-CIAFKFPVSA-N 431.669 4.577 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC1(OC)CCCCC1 1286742755 PFOATYWMMLJENM-JOCHJYFZSA-N 440.588 4.680 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1CC 1286760491 NOUQFAXQFLCYEN-DHIUTWEWSA-N 435.616 4.576 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286770206 ANXUHUWWPHLSIB-ROUUACIJSA-N 449.393 4.542 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCCC2)n1Cc1ccc(COCC(F)(F)F)cc1 1288517195 AKVSLBYANUGYEY-INIZCTEOSA-N 435.494 4.801 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(CC)s1 1300273712 GYHLFKZHBJYQMT-QZTJIDSGSA-N 438.597 4.947 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCO[C@@H](C)C1 1300371318 QEKZNOXRSDCUKV-FQEVSTJZSA-N 445.007 4.670 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC[C@@H](C2CCC2)C1 1300391885 HTYNJYJIWZUOSJ-KRWDZBQOSA-N 433.383 4.918 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](c2ccco2)C1 1300856708 IDVXJHRHVUQVQO-SFHVURJKSA-N 427.346 4.559 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 1301016956 DFCJUWGMYUAJSN-HZPDHXFCSA-N 425.360 4.666 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nc(C)c(C)s2)CC1 1301095739 NMUAIHFUCFXTKK-UHFFFAOYSA-N 437.613 4.946 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCC(C)(C)COC)CC1 1301119487 KSAPDVDLHIZASN-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCOC1 1301160051 LCLKRDAEPMPJON-INIZCTEOSA-N 439.387 4.991 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301178489 MUKXFUOLSWIYBF-MRXNPFEDSA-N 425.474 4.513 30 10 IJEE C=CCCCn1c(N2C[C@@H](C(F)(F)F)O[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1301235289 YYRKSZNEAWLRLH-MJGOQNOKSA-N 434.506 4.870 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccoc1 1301241401 QHDYKKUOZSTINC-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1CC 1301261081 BBYKHJKXLAPSDY-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nccs2)C1 1301566879 SRDIWSPTQPNDMB-INIZCTEOSA-N 448.017 4.510 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CCC2CCOCC2)c1C 1304018838 GQYORNDWEWWTQL-HXUWFJFHSA-N 437.588 4.592 30 10 IJEE N#Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1Cl 1307331110 DLYACWXQEMOTBT-UHFFFAOYSA-N 440.908 4.657 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 1308758614 SUNJGBMWWYVSIA-IBGZPJMESA-N 444.572 4.501 30 10 IJEE C=CCc1cc(CNC(=O)NCCOc2cccc(C(C)(C)C)c2)cc(OC)c1OC 1311746632 AZJQYKDRJIPJIR-UHFFFAOYSA-N 426.557 4.608 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)c1 1326288220 VCUYTUQIEZDROT-UHFFFAOYSA-N 437.499 4.814 30 10 IJEE C#CCCCCCC(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1350046877 FXJNHCZNKMEYBY-SSZFMOIBSA-N 439.364 4.730 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)nc(C)c1)c1ccc2c(c1)OCCO2 1350581895 BPTCADOXKWCLJI-UHFFFAOYSA-N 430.504 4.881 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)cc1 1355426085 KPLAJWKPFRPFMO-UHFFFAOYSA-N 427.526 4.901 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1355927486 HMUZXNIGQPGWNV-FQEVSTJZSA-N 431.319 4.639 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)c2cc(C#N)cc(N(C)C)c2)sc2c1CC[C@H](C)C2 1356630397 HYZRCMOVJOWQMH-AWEZNQCLSA-N 425.554 4.628 30 10 IJEE C=CCc1cc(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc(OC)c1OC 1358048473 AKYBUCALXKLEKK-UHFFFAOYSA-N 440.540 4.857 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC(CN2CCCCCC2)CC1 1359076408 AUYQIEGQNWHZGV-KRWDZBQOSA-N 438.458 4.793 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359129577 GKBZVIAFPJPUMX-AREMUKBSSA-N 449.599 4.727 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(Br)c1 1359131985 KJMABGMGMRGQPT-LJQANCHMSA-N 449.393 4.511 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1359135046 QMNUKPXWHCIKEF-FXAWDEMLSA-N 444.626 4.551 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccc(OC)cc1OC 1359146345 VYBGMQVXEADBRC-UHFFFAOYSA-N 448.354 4.790 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1359200178 VEKXFTKZHZFCQO-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCC(OC)CC1)C1CC1 1359245745 BYFSMQSGWDVCBS-UHFFFAOYSA-N 437.588 4.507 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)CN1CCCC1)C1CC1 1359247689 LVQSNZICFXJTJD-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1359255304 UPBZDIDNGJIBSR-NFBKMPQASA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H](c1cccs1)N(C)C 1359258958 IDKZEHSHLVEXGM-NHCUHLMSSA-N 437.613 4.687 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)CCCN1C(=O)OC(C)(C)C 1439536088 MBMMMQDLIMDQSO-RUZDIDTESA-N 447.539 4.705 30 10 IJEE COc1ccc([C@@H](CO)N(C)C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 1446934013 DCCKFDFHRYMACN-JOCHJYFZSA-N 436.895 4.818 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1c(Cl)cc(F)cc1Br 1462881276 QKYKQRNLCQRMDB-UHFFFAOYSA-N 448.741 4.627 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SCc2cccnc2)cc1 1463837063 PLXAOIBSEJHTJQ-HXUWFJFHSA-N 425.554 4.619 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 1467699413 IANGUGGKOJMTMZ-FQEVSTJZSA-N 441.318 4.671 30 10 IJEE C=CCn1c(SC[C@@H]2CCCC[C@H]2C(=O)OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472908033 OOVFLXONYOXTPN-HRCADAONSA-N 446.638 4.840 30 10 IJEE C=CCn1c(SC[C@@H]2CCCN2C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1472922682 XOXBVYRLXDPPLZ-KRWDZBQOSA-N 429.586 4.945 30 10 IJEE CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1473396926 FUGGXMIXLSYJAB-FGZHOGPDSA-N 440.613 4.567 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1OC 1474193864 ZMYLBGRDRYCTNY-CJNGLKHVSA-N 438.284 4.612 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 1474485559 NKZWZJVDXYCYDH-DNVCBOLYSA-N 439.503 4.917 30 10 IJEE N#Cc1cc(NC(=O)NCC[C@H](O)C(F)(F)F)ccc1Oc1ccc(C(F)(F)F)cc1 1476217300 GTGJISSNUFGWIS-INIZCTEOSA-N 447.335 4.804 30 10 IJEE N#Cc1nc(NC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)ccc1Br 1476946525 FREMHCLEGKQMAS-UHFFFAOYSA-N 448.733 4.814 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1494973714 CUJWAKCQFJGNCU-HXOBKFHXSA-N 433.556 4.948 30 10 IJEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1496057092 CVQXNPOAQDWMAC-LEEZEASISA-N 439.604 4.662 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1507572265 DRFJZJQGPZHTMX-UHFFFAOYSA-N 445.567 4.743 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507655738 NJIJVHQMMHFLIM-BZSNNMDCSA-N 443.378 4.673 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCCC1(C)C 1507663723 JIKVSHBIBGEVPK-HHHXNRCGSA-N 432.612 4.647 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1507699589 FZHXJYRZNWVKOW-IBVKSMDESA-N 448.590 4.563 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@@H](C)C1 1507704340 XUCPQRVFQPDSIM-OFNKIYASSA-N 445.611 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)OCC 1507770054 PNHGJHRJMBTHAZ-AREMUKBSSA-N 438.616 4.962 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1507795530 IUMBJETWMRRSLZ-VKUXKFIQSA-N 438.616 4.837 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(OC(C)(C)C)CC1 1507805326 JHKVGGGFFCMCGM-UGKGYDQZSA-N 444.645 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1cccnc1OCC(F)(F)F 1507821030 SFHOHYDLHKLARI-UHFFFAOYSA-N 425.499 4.654 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2ccccc2)C1 1507965424 FPVDQPBASPAOCB-YTFSRNRJSA-N 438.616 4.783 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1508155949 UEEJUIBCOJIRKX-HSZRJFAPSA-N 425.602 4.741 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2[C@@H](C)CC[C@H]2C)c1 1516962667 MZWMQPOSHHGWGO-CALCHBBNSA-N 432.973 4.734 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 1518261468 GTKLZZYTFFJRQH-DEOSSOPVSA-N 439.515 4.580 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)c1ccccc1 1519279722 BEIFUUBYVVWVGF-LJQANCHMSA-N 444.373 4.759 30 10 IJEE Cc1nc(SCC(=O)Nc2ccc(Br)c3cccnc23)c(C#N)c(C)c1C 1519454368 BRLVRFJREUDBRG-UHFFFAOYSA-N 441.354 4.920 30 10 IJEE O=C(NCc1c(F)cccc1OC(F)F)c1cc(OC(F)F)cc(OC(F)F)c1 1520223856 BGWWWIUNTGXMFZ-UHFFFAOYSA-N 427.272 4.560 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)CCCN1C(=O)OC(C)(C)C 1520914910 DMEMWHJPJQWWLK-VWLOTQADSA-N 442.556 4.682 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(I)ccc1N1CCCCC1 1523516793 HVYSEQZRVRUFDP-UHFFFAOYSA-N 426.342 4.614 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](Oc2ncccc2F)C1 1525420411 IBTCKXKOGACJAY-SFHVURJKSA-N 433.508 4.927 30 10 IJEE CCc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nnn1-c1cccc(Cl)c1 1530057127 HSQDMBLILGTMJC-GFCCVEGCSA-N 425.945 4.793 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 1533452388 XKVYGIQNZRGVSV-UHFFFAOYSA-N 434.540 4.783 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1)c1ccccc1 1537430347 DOFHJTZOZGLPPF-FSSWDIPSSA-N 438.955 4.781 30 10 IJEE C=CCc1cc(C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)cc(OC)c1OC 1537781243 YMBZKMRBXMYAIP-UHFFFAOYSA-N 431.536 4.740 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccccc2C)cn1)[C@H](Cc1ccccc1)C(=O)OCC 1538618025 BTLVLMRLTAWCNB-XMMPIXPASA-N 444.531 4.985 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)cc21 1538951304 LCLNJHGWSDKVRJ-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC1(C)C 1539623578 MQHPALBCWIMIFD-OXQOHEQNSA-N 430.980 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1C 1539623916 PDLCHVFHDVDBCD-IRLDBZIGSA-N 437.975 4.920 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCC[C@H](C)C1 1539735276 IGRYDJFEJWVAGU-OALUTQOASA-N 428.577 4.570 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCS1 1539945380 NNWXNXSOZNTTAI-WIYYLYMNSA-N 428.602 4.869 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1540062322 KFZDMUYCYIAPDI-LPHOPBHVSA-N 445.995 4.866 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCCc1ccnc(C(C)(C)C)n1 1540087235 SNSKMNQMEFULOU-UHFFFAOYSA-N 448.615 4.816 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC1(C)C 1540133490 GRKIFCRSIYCFMQ-NBGIEHNGSA-N 442.579 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CSCCS1 1540177943 WGUVEIPQQYHOLW-IBGZPJMESA-N 432.684 4.906 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1540252768 VDNYEKHHJYYWQP-UQBPGWFLSA-N 444.620 4.690 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](CN(CC)CC)C1 1540854177 MVMNKLKXBDCCNZ-JOCHJYFZSA-N 432.616 4.707 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 1544401809 GAQFYYXARANAKA-UHFFFAOYSA-N 425.573 4.938 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C)C(=O)OC 1558383571 NXRGASYKJAFSCE-LJQANCHMSA-N 426.513 4.815 30 10 IJEE C=CCN(C(=O)CN1CCC[C@H]1COC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1560067034 PXZAUUGNTMKNAO-HNNXBMFYSA-N 440.396 4.747 30 10 IJEE C=CCC1(NCc2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCCC)CCCCC1 1560070109 ODPUTUOJLNWLPM-UHFFFAOYSA-N 449.599 4.516 30 10 IJEE CCOc1cc(CNCC2(C#N)CCOCC2)ccc1OCc1c(F)cccc1Cl 1560616945 DTJFTFXAFVBVBT-UHFFFAOYSA-N 432.923 4.867 30 10 IJEE C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(OCC(F)(F)F)cc1 1561161618 AJTWJGJGBMGNDY-SNVBAGLBSA-N 445.356 4.825 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCCN(c4ccccc4F)C3)s2)cc1 1562155743 HVWILRGWBGUTRS-SFHVURJKSA-N 435.528 4.535 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c1 1562370883 MKCNPZSTHIMMHN-QFIPXVFZSA-N 437.540 4.866 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](CO)[C@H]1CCC[C@H](OC)C1)c1ccc(C(F)(F)F)cc1 1564406781 NZFSCWLILUHQFE-FRYIKTPZSA-N 428.495 4.578 30 10 IJEE COc1ccccc1[C@H](NC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1ccccn1 1564492888 FJPQWCBYICIDBE-VWLOTQADSA-N 426.520 4.640 30 10 IJEE C=C(CNC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1)c1ccccc1 1564881820 CZWAOUJBFCBOIA-QFIPXVFZSA-N 439.600 4.911 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 1565394010 HLENNNGCHULMOP-VSFFHGRTSA-N 425.573 4.504 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)COc2ccc(C(C)(C)CC)cc2C(C)(C)CC)C1=O 1568184623 YVALMUFKLUWTTL-OAQYLSRUSA-N 428.617 4.686 30 10 IJEE C=CC1(CC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1568795113 KPIRPSSKBBSJRY-MRXNPFEDSA-N 440.506 4.908 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)C(C)(C)C 1584733848 UQHJHCVHSDTMRL-SFHVURJKSA-N 429.303 4.572 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(OC)c(OC2CCCC2)c1 1585094073 HTILCKVFPDQQMI-UHFFFAOYSA-N 447.535 4.697 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)C(F)(F)F)cc1 1587315719 VENYSJIAWDFHFQ-FQEVSTJZSA-N 432.373 4.945 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1588020548 RATJMDYQCWSDOS-KNQAVFIVSA-N 426.630 4.790 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1 1589567872 GLVFKVLGVQJHKV-XUZZJYLKSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cc(OC)nc2ccccc12 1589675447 CYIGICQNTMSZHU-UHFFFAOYSA-N 433.581 4.938 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1594430596 OSUQJTBNFLQXNM-JOCHJYFZSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1594492021 QWJUWQYJZMXWPK-UHFFFAOYSA-N 430.984 4.639 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1ccnc(SCC)c1 1594929178 HIBZVERIDKSIQS-UHFFFAOYSA-N 444.402 4.885 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@@H](C)[C@@H]1C 1595860405 NUESVLZVCZZONX-IRXDYDNUSA-N 425.627 4.743 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](C)C2)c1 1597875530 ILVHVZXZOGURHC-AEFFLSMTSA-N 432.973 4.640 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])Cc2cccs2)c1 1616145520 PWDRMFXDMSJBHA-UHFFFAOYSA-N 435.505 4.682 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)cc21 1618039065 LVIWMFCDOTUSOK-UHFFFAOYSA-N 434.540 4.884 30 10 IJEE C#C[C@H](NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1)C1CCOCC1 1618329873 HTUINFRIXNCCSU-INIZCTEOSA-N 437.392 4.939 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CCCCC1 1623105411 BRHKXJARVCBYPB-UHFFFAOYSA-N 429.362 4.736 30 10 IJEE C#CC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2)C(=O)OC 1626188451 ZIBXQGOFRUVSCX-XEPMYJLFSA-N 444.918 4.670 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)C(=O)OCC 1627751216 AJTCEIZPUQHNHD-KRWDZBQOSA-N 427.526 4.504 30 10 IJEE C#CC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O)c1ccccc1 1632034930 OGTRWEQUFXIGAC-MRXNPFEDSA-N 433.817 4.745 30 10 IJEE C#CCCOc1ccc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1632066997 ICWPCPUJLPJEND-FQEVSTJZSA-N 434.536 4.748 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@@H]1CCCc2ccccc21 1632222916 ZIZXSKCADIDWHE-VGOFRKELSA-N 441.369 4.939 30 10 IJEE CC(C)(C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)c1cccc(Cl)c1F 1634564339 BPFSZSRSDHFKOQ-IBGZPJMESA-N 434.342 4.819 30 10 IJEE C=CCn1c(Sc2cc(C)nc(COCC)n2)nnc1-c1ccc(Br)cc1 1642012294 DIOBJCUTZJJDDM-UHFFFAOYSA-N 446.374 4.680 30 10 IJEE C#CCN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454337 GAAQSLMNTCGFRN-UHFFFAOYSA-N 444.881 4.834 30 10 IJEE C#CCN(C(=O)c1cc2cccc(C)c2nc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1645454934 SDZYPEMODCACQZ-UHFFFAOYSA-N 441.959 4.672 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cnc(C)s1 1649539100 JJEQGQXDZCJZGD-CQSZACIVSA-N 434.594 4.648 30 10 IJEE C=CCOc1ccc(CNc2ccc(N3CCOC(C)(C)C3)cc2OCC)cc1OC 1650958746 VXESKZPZAFGOET-UHFFFAOYSA-N 426.557 4.886 30 10 IJEE C#CCC1(NCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CCCCC1 1654888919 LOUSWFFBYKNMIG-UHFFFAOYSA-N 440.591 4.530 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1656790164 JUKYNNCLEFGPGR-CQSZACIVSA-N 444.284 4.788 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)c2)cc1 1659137268 FWMDRFYMLWDSGL-JOCHJYFZSA-N 441.409 4.922 30 10 IJEE C=CCC[C@H]1CCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 1666534975 WVCOFRKUIOVHHE-KKUQBAQOSA-N 438.637 4.723 30 10 IJEE C=CCCCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1666830364 MKODNLZUAAYAOH-UHFFFAOYSA-N 443.569 4.741 30 10 IJEE C[C@@H]1CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1CCNC(=O)OC(C)(C)C 1668886351 HLAHILLWEPTEDV-SJLPKXTDSA-N 431.581 4.662 30 10 IJEE CCCN(C(=O)Nc1cc(C)c(N(C)C)cc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 1672050508 AXNDMRQAHGYLPY-UHFFFAOYSA-N 443.592 4.576 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CC(Cc4ccccc4Br)C3)cc21 1674680045 YRBGIWXQXFLHKI-UHFFFAOYSA-N 425.330 4.691 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCCN2CCSC[C@H]12)c1ccc(C(F)(F)F)cc1 1679306433 XQKWCYFVAZDGON-IPMKNSEASA-N 427.536 4.592 30 10 IJEE C[C@@H](CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1cccc(C(F)(F)F)c1 1680048967 CUVHPOMKQKAYMY-INIZCTEOSA-N 448.464 4.742 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CCCC1 1682691677 CWGWQNTZMPNLPP-UHFFFAOYSA-N 434.422 4.803 30 10 IJEE C#C[C@H](NC(=O)N1CC(Cc2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1F 1683516670 GHFLVXHRLVQXST-IBGZPJMESA-N 440.824 4.936 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCOc1cccc(F)c1 1685663583 OSVQZNGXWUAFCC-UHFFFAOYSA-N 439.300 4.894 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173779 OWNVDJKVGWYFLL-TXPKVOOTSA-N 441.494 4.571 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1686920300 VSIDDAHBILHEFT-LEWJYISDSA-N 425.573 4.620 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(F)F 1689827586 HFDKMULZIIPVEP-JKSUJKDBSA-N 440.922 4.776 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1689837673 KLUIUQJWWPOZPK-MRDQGFSESA-N 434.584 4.818 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1689895022 HCTAADXGVKXZQO-FCHUYYIVSA-N 442.554 4.735 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC(F)F)cc1 1689951164 NGRMOCZMWURKKJ-HNNXBMFYSA-N 442.535 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCc1coc(-c2ccc(C)cc2)n1 1690261603 SKGQPSOJHKNOME-UHFFFAOYSA-N 428.540 4.949 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1690331091 QCZILTBECCWWJT-MAZHCROVSA-N 438.801 4.814 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2(COC)CCC2)CC1 1690367521 RQSJUHVYMYPDIG-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1690412275 KMEJULJTLAVJFE-KOSHJBKYSA-N 430.543 4.897 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1690497202 KDNQSJNKBHDAAC-OAQYLSRUSA-N 432.996 4.598 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)c2ncc(C)s2)C1 1690694939 YAEZBNQGYLPZTO-DOTOQJQBSA-N 444.004 4.948 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CC2CCC(F)(F)CC2)C1 1690710578 UHWGFPBYHXGYAM-NRFANRHFSA-N 446.542 4.506 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCCCC2)C1 1690736099 STFWGCMIYQQRPC-GOTSBHOMSA-N 439.673 4.804 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](COC)C1 1690736269 YJMKWFMVGKZLKD-LJQANCHMSA-N 437.613 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCCN1CCC(C)CC1 1705477659 QWKREMILMZJZFO-LEWJYISDSA-N 441.595 4.527 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705544779 DGHNHMTXTPDRLA-SLFFLAALSA-N 439.673 4.569 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1705615742 GSPAUZXJPMGOAQ-UPVQGACJSA-N 434.609 4.866 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)C(C)C 1705623367 PGGYCEKRNMDMKT-UHFFFAOYSA-N 447.421 4.784 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1705722141 WLGGPTSBPJNAAY-GOSISDBHSA-N 437.544 4.521 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCN(CCC)C2)CC1 1705784888 NGGBQRPBQHJAKY-QHCPKHFHSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(C)C)CC1 1705789635 RLCQIQUSSIMGFR-UHFFFAOYSA-N 447.631 4.511 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1705797178 RLAPDDNHLPBDIM-GOTSBHOMSA-N 438.616 4.785 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1nccs1 1705809860 FVWJESACZMMHRT-KRWDZBQOSA-N 446.621 4.799 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCc1cccc(C)n1 1705836533 WLBLZZURVXFHJS-UHFFFAOYSA-N 444.352 4.805 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CCc1ccn(-c2ccc(F)cc2)n1 1705871618 QJTPOQADSBEKOD-UHFFFAOYSA-N 432.503 4.592 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@@H]1C 1705940712 NFBTVTCDQINYJI-PKOBYXMFSA-N 432.659 4.896 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnn(CC(C)C)c1C 1722274873 AJJPQPOBEXHSPO-SIKLNZKXSA-N 448.615 4.702 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CC[C@@H](F)C1 1722401234 PZLFAIAQCIWFMQ-FCHUYYIVSA-N 436.575 4.890 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1722578526 QCQHZWSBFZZTTK-UHFFFAOYSA-N 447.583 4.783 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722584226 QBYQNDLHMLDYGD-UHFFFAOYSA-N 426.348 4.815 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722601847 XVYUTIGAWCXRHO-KFKAGJAMSA-N 446.935 4.542 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccccc2C)C1 1722620897 VZZIMBCRKKRXJT-LJQANCHMSA-N 435.597 4.538 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(OC)CCCCC1 1722634537 FBDFJIRBYKNYEC-UHFFFAOYSA-N 425.396 4.741 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cc(OC)cc(OC)c1 1722683775 VCANIDKZCHHVRP-INIZCTEOSA-N 438.597 4.971 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CCC1 1740555935 DLHAEFYOCIHYBS-CQSZACIVSA-N 439.412 4.908 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)[C@@H]1C 1740582796 IJTAMJCOGVGTFT-UONOGXRCSA-N 437.382 4.590 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ncc(CC)s1 1740635699 MQDBNUYELBVEDK-UHFFFAOYSA-N 444.391 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCC1(F)F 1740727358 ITNMKKMHMDXDGL-FDDCHVKYSA-N 444.526 4.780 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1740788446 TUNAANMWPISLAD-MOPGFXCFSA-N 449.640 4.514 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CC(F)(F)c2ccccc2)CC1 1740840655 GTFYWJKUIRBDPG-UHFFFAOYSA-N 429.540 4.828 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740858232 LYTBIFYLNROZPA-VXKWHMMOSA-N 444.645 4.580 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1740860650 LCOVNGICVJPTFW-UHFFFAOYSA-N 426.908 4.894 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCc2cc(Br)ccc2C1 1740867799 WCHJSLITXSTMAA-LJQANCHMSA-N 431.378 4.811 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740869802 ZZRYIUQXACWALE-PKOBYXMFSA-N 444.421 4.655 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C(C)C)N1CCCC1 1740894043 HGJSNDGSRQXUKM-ICSRJNTNSA-N 427.662 4.874 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1occc1C 1740936599 BLHSQDDJFHYXEP-IFMALSPDSA-N 438.572 4.975 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C)CCCC2)C1 1740978599 YXPTWLKTQJEKHY-HXUWFJFHSA-N 440.588 4.714 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC#N 1741415286 BPIOYQAMBZELCS-QINHECLXSA-N 433.959 4.927 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1741874866 CRIBDIKYJWDZEB-WNCULLNHSA-N 448.659 4.705 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccs1 1748901992 DSCGMPOYZPYUCG-UHFFFAOYSA-N 426.998 4.797 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cc(C(CC)CC)no1 1748920877 SZUNRLOITHRGNB-UHFFFAOYSA-N 443.555 4.530 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2CCCC[C@H]2C1 1749049280 HQVNGCWNFIADOY-PLACYPQZSA-N 430.662 4.580 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(F)c2)CC1 1749335647 SEGPXWCLZTYESX-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1749408484 KFLKXRRRJJMPMZ-BHDDXSALSA-N 429.653 4.618 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCC(F)(F)F)CC1CC1 1749421798 RRSIXOICRBHTKU-UHFFFAOYSA-N 436.478 4.851 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCS[C@@H](C)C1)C(C)C 1749557066 GFBIXAJPNKFJJA-JTHBVZDNSA-N 439.673 4.894 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1749606430 XGJGAGOVFJHKPY-TZIWHRDSSA-N 444.023 4.939 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC(CC)(CC)C1 1749646135 LTALFGXPSYYFJP-KRWDZBQOSA-N 435.638 4.648 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749747187 VNDVTLLSMDDBDD-KNQAVFIVSA-N 439.673 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1ccsc1 1760105567 FXULDEUTNOSJBO-GOSISDBHSA-N 432.549 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H](c1cccs1)N1CCCC1 1760115927 LKJMUWAMAHFTAV-UNMCSNQZSA-N 433.625 4.534 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCCC1 1760137010 DQHXSZVBJDZKNP-NRFANRHFSA-N 443.636 4.967 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CC=C(C(F)(F)F)CC1 1760150468 OHYNFMQRCURDMU-UHFFFAOYSA-N 439.279 4.820 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](CC(C)C)N(C)C 1760162872 IQXRTSZTKXYXME-FPOVZHCZSA-N 446.039 4.734 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCc1ccc(Cl)s1 1760216548 RSMLIOSOHYZENY-UHFFFAOYSA-N 433.968 4.847 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)c1cccs1 1760279262 WVSHIIBEACLCBZ-GOSISDBHSA-N 448.621 4.756 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2ccccc2F)CC1 1760384721 FLDJGUFPZPIMAE-MRXNPFEDSA-N 427.911 4.757 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1760408727 FWLLIYZXXYGEBI-ROUUACIJSA-N 440.588 4.808 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1ccc(Cl)s1 1760565259 RWCWXFOPIQCOEW-OAHLLOKOSA-N 427.039 4.833 30 10 IJEE COCC(C)(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 1770692433 AECDPLJXZCWBNJ-UHFFFAOYSA-N 435.597 4.894 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2O[C@@H](CC)C(C)=O)SC1=Nc1ccc(O)cc1 1772762951 KWVBJTKPAHIEAQ-ACAOMGEBSA-N 436.533 4.929 30 10 IJEE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4oc5c(c4C#N)CCCC5)cc3C2=O)c1 1859482523 GWLAQDHWIKKJKV-UHFFFAOYSA-N 439.471 4.700 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)n1 1860561301 LVUUSYLQRAZIDY-UHFFFAOYSA-N 445.241 4.872 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(=O)Nc1cccc(C#N)c1 1860750238 JNYVOTUXDOLXKD-UHFFFAOYSA-N 447.516 4.658 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)nc1C 1860798272 GADKLECBLQBVLF-UHFFFAOYSA-N 449.554 4.788 30 10 IJEE N#Cc1c(O)nc(SCCCOc2ccc(C(=O)O)cc2)nc1-c1ccccc1Cl 1860825259 WCOPGHKAAIERDK-UHFFFAOYSA-N 441.896 4.634 30 10 IJEE CCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(OCCCCCC)cc1 1861526792 WWIYQEKPUJKBHH-ISKFKSNPSA-N 446.632 4.698 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2F)cc1 1862391289 XIFWYWDZBYBXMQ-CVDCTZTESA-N 437.511 4.926 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccc(C)cc2)cc1 1862475132 DZARDWJWFLXQGX-DEOSSOPVSA-N 432.564 4.758 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc(OCc2ccccc2)c1)c1cccc(O)c1 1862602794 KZKJFJJUZHHTTM-DEOSSOPVSA-N 441.483 4.712 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OC)cc1 1862618461 USWFNQWNGXWGHU-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1Cl 1862752279 WSPUDOSGPHSKEB-LJQANCHMSA-N 428.872 4.873 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2c[nH]c3ccccc23)C1=O 1863501375 DRXSDWCUKQQGGU-QGZVFWFLSA-N 432.483 4.993 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(=O)c3c(C)ccc(C)c3[nH]2)c1 1866491670 UTUUEXHCSGAWQZ-UHFFFAOYSA-N 435.483 4.808 30 10 IJEE CC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1cccc(C#N)c1 1867182953 IIRYVVJXMIGUKC-JOCHJYFZSA-N 444.535 4.721 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 1870005177 ZTLSGXXKWMNXDE-UHFFFAOYSA-N 442.350 4.934 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2cccc(C)c2C)cc1=O 1870809905 BERVDDVCGHFGGC-UHFFFAOYSA-N 448.563 4.902 30 10 IJEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C3=O 1871352118 QLZMPVMEEJEDBE-HBFFOVPNSA-N 439.508 4.587 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871396147 RNMQAQKHVUMTRN-LZAZYHHXSA-N 427.928 4.707 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871411867 KZHAIGUGHLIIDM-KSJDGYIASA-N 433.435 4.857 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871442309 AVAGQVFHLYUJPW-NHDPSOOVSA-N 435.863 4.988 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(OC)cc2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871505684 KTJPFBYSXOHWTQ-UHFFFAOYSA-N 444.583 4.960 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871909421 AGDSKWKXWGVMBT-WZONZLPQSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(F)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872363339 IOBMSGQOXWSHAK-OAQYLSRUSA-N 436.524 4.503 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c1 1872788305 GLHKJDCSLMWQFM-QGZVFWFLSA-N 442.924 4.908 30 10 IJEE C=CCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170987 ZQMLLRMZEZDWIX-UHFFFAOYSA-N 439.559 4.582 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2c(NCCCN(C)C)ncnc21 1873626461 ATUREJBAIPDATM-UHFFFAOYSA-N 447.370 4.540 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 1874180758 PHMSFODNHCLTHX-GFCCVEGCSA-N 448.338 4.851 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)ccc1O 1874212517 QKBPFNQYQVZPIO-WSDLNYQXSA-N 437.352 4.906 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874221718 ZZLDSSUTYRCBLB-YZSQISJMSA-N 447.564 4.940 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(F)c1 1874222245 LQKNQVZOYPPZSG-BUVRLJJBSA-N 428.533 4.604 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(F)cc1F 1874456403 PVGVCNNNIUVBJR-AFUMVMLFSA-N 449.571 4.837 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccs2)c1 1874484014 ZRGHTNNDUBLEOR-WSDLNYQXSA-N 427.599 4.867 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc(OC)c1O 1874520259 JAAFFLPNHNUZLX-FOKLQQMPSA-N 444.944 4.706 30 10 IJEE COc1cc(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cc(OC)c1OC 1874533104 RRZORHBZPRTCRJ-AFUMVMLFSA-N 448.548 4.940 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1cnnc1SCC(=O)Nc1cc(C)ccc1C 1874534969 LFMBFMDVWKQSQN-LGJNPRDNSA-N 445.548 4.670 30 10 IJEE CCCOc1c(/C=N/n2c(S)nnc2COc2c(C)ccc(C)c2C)cccc1OC 1874566704 JVRPDJQPTYXSCY-ZMOGYAJESA-N 440.569 4.751 30 10 IJEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1 1874657852 TXZURZUQPZEEPQ-DEOSSOPVSA-N 434.584 4.657 30 10 IJEE CCCCCCCCC(=O)Nc1cccc(C(=O)CCN2CCN(C(=O)OCC)CC2)c1 1874728538 FIIAFFKIKNETIV-UHFFFAOYSA-N 445.604 4.723 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1cnccn1 1875160155 CSPBSODBVJBNDQ-RMKNXTFCSA-N 446.503 4.907 30 10 IJEE O=S(=O)(NC1(c2cccc(F)n2)CCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1891842993 CWBOQROTGKADIF-UHFFFAOYSA-N 442.356 4.616 30 10 IJEE C#CCN(C[C@H](NCCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 1894938452 KVTDERQDYJCKJU-KRWDZBQOSA-N 431.321 4.638 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C[C@H]1C 1926491026 OGLWGICOVVCUAF-MWTRTKDXSA-N 431.533 4.586 30 10 IJEE CC(C)[C@H](S)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1946433032 RQSCCHOMACWXMP-JTQLQIEISA-N 446.002 4.867 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1964772157 IUWNBJOHAXCVJC-KSZLIROESA-N 441.410 4.868 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079882044 ZKIHHWJORMIVSD-GOSISDBHSA-N 435.309 4.799 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1C 2080036124 IEHGVMXACMDNJI-HNNXBMFYSA-N 443.235 4.613 30 10 IJEE CC(=O)Oc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080105539 MJAXYZQJMWPITF-HNNXBMFYSA-N 442.260 4.706 30 10 IJEE N#Cc1c(C2CCCC2)nn(Cc2cc(F)ccc2I)c1Cl 2080379894 KXVBEZFUEDHPIO-UHFFFAOYSA-N 429.664 4.858 30 10 IJEE COc1c2c(nc3c(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)(F)F)nn13)CCCC2 2081425022 QNEMJNLWHASBRG-UHFFFAOYSA-N 437.290 4.998 30 10 IJEE C=CCN(C[C@@H](NCCC)c1cc(Br)cc(OC)c1)C(=O)OC(C)(C)C 2136315077 NJXMHRVUMONLRN-GOSISDBHSA-N 427.383 4.922 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 2159125425 NGQOMXSESYAZRD-WOJBJXKFSA-N 437.422 4.975 30 10 IJEE CC[C@@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2181141515 MCXHYGVYSMNKLZ-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE CCN[C@@H](C#Cc1ccc(C)cc1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223325915 GUYLLBJMWAHTDJ-DQEYMECFSA-N 436.596 4.825 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)C#Cc3ccccc3Br)CCC[C@H]12 2235727034 QBGFRUCTMWMUPA-AVRDEDQJSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@H](O)C#Cc3ccccc3Br)C2)C1 2235734064 QABJYXYMDQCDFQ-IMYXXEESSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1 2255802282 WWSVMRWKFDVBQV-UHFFFAOYSA-N 430.354 4.666 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1F 2255858136 LKEHGRXDJKDKDT-NEPJUHHUSA-N 438.280 4.733 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2scc(Br)c2Cl)C3)OC1(C)C 2264616513 PGHFUPWYBDZQIW-BMLIUANNSA-N 446.603 4.862 30 10 IJEE C=CCCC1([C@H](N)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266311198 XVEPSGAXRKLTDD-MRXNPFEDSA-N 431.321 4.930 30 10 IJEE CC1(C)OB(c2cnccc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2266998111 PVDQIBSDCYZQFH-UHFFFAOYSA-N 434.389 4.604 30 10 IJEE CC(=O)C(C(=O)OC(C)(C)C)=C1N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 2293198429 OLMZYLLGRMCDLR-UHFFFAOYSA-N 446.547 4.816 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@@]1(C(=O)C#Cc1cccc(Br)c1)C2 2296220338 XGLCEBXUODZXSB-ORGXJRBJSA-N 430.342 4.548 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)C#Cc2cccc(Br)c2)C1 2296221113 FRRBWUMMTQMQQP-VGOFRKELSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@H](N)C#Cc3cccc(Br)c3)C2)C1 2296276238 FVXFBVYHSHBDPT-IMYXXEESSA-N 433.390 4.555 30 10 IJEE CCN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nnc(C)s1 2314544333 YZBWZJDDAVHSIU-UHFFFAOYSA-N 441.494 4.639 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(Cc1cccs1)CO2 2321968255 BTNUOAKMBVDSFO-UHFFFAOYSA-N 433.485 4.754 30 10 IJEE Cc1cc(OC(=O)c2ccncc2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2322828357 NQCMVKFYUMESJK-UHFFFAOYSA-N 449.846 4.745 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2322904444 UNKMMWSCMLIKKG-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccco2)C3=O)cc1Cl 2324474276 AGZKBXAKTNMBPN-ZDUSSCGKSA-N 439.851 4.964 30 10 IJEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)o1 2325385334 ROYAVHQZJFZMSO-UHFFFAOYSA-N 449.415 4.948 30 10 IJEE COc1cc(C=CC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 2325717173 HOWVXDXRYAINMQ-QGQQZZQASA-N 433.548 4.797 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2ccc(OCC)c(OC)c2)cc1 2327320576 DYCGPOGCRRVJGT-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE Cn1cccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccc(F)cc1 2329312299 FEYBNPIKLHZAHX-UHFFFAOYSA-N 435.528 4.647 30 10 IJEE CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cc(Br)ccc1F 2329831137 NRJFTYNALALPAS-UHFFFAOYSA-N 437.313 4.904 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)C(C)=Cc1ccccc1 2330082038 IABIBTRETLRLFU-XMMPIXPASA-N 434.605 4.709 30 10 IJEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(CC)cc1 2330146190 OCDCKUZINUTRHI-GOSISDBHSA-N 436.581 4.920 30 10 IJEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)cc1O 2330342841 UZDCQSHAYDFMSJ-UHFFFAOYSA-N 440.525 4.655 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 2330639823 GYTQMVUEKSIHNC-UHFFFAOYSA-N 432.480 4.957 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2C)cc1C 2331109502 KWNBPDMCPBYUNL-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2339592328 OMWITFVQINNKTJ-KOSHJBKYSA-N 442.365 4.505 30 10 IJEE C=CCC1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339602467 KQKSGSNOGZDNOS-UHFFFAOYSA-N 442.365 4.671 30 10 IJEE CC1(C)COCC[C@]1(C#N)Cc1ccc(I)c(Br)c1 2349898072 GPHMGVIXOHSHMK-OAHLLOKOSA-N 434.115 4.553 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2358672424 XLWUDVASBUURAC-UMGGQSCQSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@H](N)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360197232 ILSLFIQELDRHTD-VNTMZGSJSA-N 433.390 4.554 30 10 IJEE COC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl 1010012 GWAINBVGBLZXSE-YJYMSZOUSA-N 444.314 4.851 30 10 IJEE O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 9096409 HHHLVLMCXZMLSB-IZKVJKABSA-N 443.934 4.874 30 10 IJEE CSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 20905386 NNDVEISWQGMKDB-YDZHTSKRSA-N 448.577 4.857 30 10 IJEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1Br 21230831 STNAHVDEGKEDSD-DLBZAZTESA-N 440.337 4.770 30 10 IJEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccc(OC)cc3s2)cc1 33088169 PNOVFUUUUDKGLS-KRWDZBQOSA-N 432.505 4.530 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 59891459 JLPCZDSKHPGXJS-WYMPLXKRSA-N 428.484 4.922 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)c1 170040925 XFDXGHJXCHBRAS-NRFANRHFSA-N 435.863 4.837 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cn(C)c3ccccc23)s1 170085987 WRPUODSVPNFVIH-FQEVSTJZSA-N 435.549 4.773 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2C2CCCC2)c1 170121595 ZPVRHWPHAWNISM-QFIPXVFZSA-N 447.487 4.971 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)cc1 170142161 KYMRAQCSGXWIMA-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccs1 170164334 KUYKTPKLZFEXHU-SFHVURJKSA-N 431.897 4.763 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 170187116 YFGSVOWALBLZAB-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)cc1 170201968 JOFNCHXAWULVGS-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccncc1 170205084 ZXCOCBJPXCPLFY-JOCHJYFZSA-N 444.487 4.504 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 170221451 DBGKXBAJLGYNSY-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@@H]1c1ccccc1 170232498 VTNTUCVXAOGAHP-IBGZPJMESA-N 444.325 4.836 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2C)c1 170273403 SMUONJLLUFDTCI-NFBKMPQASA-N 435.520 4.541 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2sccc2C)c1 170317121 VMOGMKHKKVCZNJ-HXUWFJFHSA-N 434.517 4.629 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(=O)OC)c2)cc1 170392320 UEVMNQHLIPLOTB-HSZRJFAPSA-N 441.483 4.819 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H](CCCC)CNC(=O)OC(C)(C)C 312282996 QAIHMIGYGXSGIX-SFHVURJKSA-N 439.394 4.634 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(OC)ccc1Br)NCCC 407667237 JKICGZZMCSJFIQ-RBUKOAKNSA-N 441.410 4.838 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC 439666942 JCSZUESCWJOQQS-UHFFFAOYSA-N 444.495 4.825 30 10 IJEE O=C(Nc1ccc(C(F)(F)F)nn1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 471934301 BIIIAQVBJGCPQW-LLVKDONJSA-N 432.246 4.939 30 10 IJEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526818883 FUGIPTTWEPXBQS-QRVIBDJDSA-N 439.541 4.939 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)c(OCC)c1 526822521 KFRLBVRMYFVAKD-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccccc1Cl 526827386 XMEUOTSLUHTRRX-QRVIBDJDSA-N 428.945 4.845 30 10 IJEE N#Cc1cccc(C(=O)OC2CCC(NC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 586487653 CRLGUPJZPHSSDM-UHFFFAOYSA-N 438.527 4.975 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)cc1 600938541 FGZRRARZRALARM-DEOSSOPVSA-N 426.520 4.737 30 10 IJEE CCCOc1ccc(Oc2ncccc2CNC(=O)NCc2ccc(C#N)cc2F)cc1 609252997 MVWCYHJWPSHNSK-UHFFFAOYSA-N 434.471 4.673 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 670202304 MTVVVDVLGZKCTR-WMIMKTLMSA-N 436.600 4.742 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)[C@H]2CCCN[C@H]2C1(C)C 693777413 YDCFHVYDXLDEGT-AVBTWRTFSA-N 434.378 4.861 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@](C)(C#N)c1cc(Br)ccc1F 698436932 JIRTULTZGACMIM-LIRRHRJNSA-N 427.314 4.743 30 10 IJEE N#Cc1cc2ccccc2nc1NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705852055 IMGIDJUNCROTJV-UHFFFAOYSA-N 434.543 4.990 30 10 IJEE C=CCC1([C@H](NCCC)c2c(Br)cnn2CC)CN(C(=O)OC(C)(C)C)C1 722937724 JGPXSRAWTOURET-QGZVFWFLSA-N 441.414 4.519 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)nc2c1cnn2[C@H](C)CC 726319527 JRNFKSKRCQFGMI-OXQOHEQNSA-N 431.540 4.797 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 733200144 BOBFLUNSVAAILM-QHCPKHFHSA-N 441.556 4.501 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)c1ccc(C(F)(F)F)cc1 750290785 CJGNFUACQZZTAN-LJQANCHMSA-N 429.446 4.793 30 10 IJEE CC(C)(C(=O)OCC(=O)c1ccc(C#N)cc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 754344915 SUFDTTQLRDBJEB-VWLOTQADSA-N 443.499 4.623 30 10 IJEE C=CC[C@H](CO)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 756677052 NXVFVENUAFGYPJ-QGZVFWFLSA-N 443.619 4.622 30 10 IJEE N#Cc1ccc(O)c(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 759720577 NHUKFTFAWDPKCU-UHFFFAOYSA-N 428.217 4.605 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)NCc2cccs2)[n+]2ccc3c(c2)CCCC3)cc1 762445484 OYRWRESNGNTGCV-UHFFFAOYSA-O 432.594 4.787 30 10 IJEE N#Cc1cc(NC(=O)N2CCO[C@@H](C(F)F)C2)ccc1Oc1ccc(C(F)(F)F)cc1 801634235 IWBBCZVNXSWPQD-QGZVFWFLSA-N 441.356 4.867 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1scc(Br)c1Br 1125578790 YAYRTEYVRGUZSM-UHFFFAOYSA-N 431.124 4.688 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)c1ccc(Cl)cc1 1129602030 IBJVGCJUCZCMSL-SFHVURJKSA-N 428.294 4.911 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc3c(Cl)c(C)cnc23)CCCN1C(=O)OC(C)(C)C 1131820394 HXPOYPBJINRYQN-HSZRJFAPSA-N 427.932 4.928 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 1136341031 MRSWBVDLECUYSC-MOPGFXCFSA-N 449.389 4.713 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1OC 1154584220 XWBNNNLUKBINNU-KHEVNUAGSA-N 448.346 4.697 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(Br)c1N 1161580138 FUIBZERAOMJKET-CQSZACIVSA-N 438.163 4.711 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CO)c1cccc(Cl)c1Cl 1196284704 DDUHNBBQGQTTSE-CXAGYDPISA-N 438.380 4.649 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CC(=O)OC(C)C)C(C)C 1199750350 FVFSPWGVWGJWEV-HSZRJFAPSA-N 437.540 4.934 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 1211494003 GFKIYQSXSOANJW-HXUWFJFHSA-N 425.472 4.586 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1224522594 NZIOBFSVSNKQQE-HSZRJFAPSA-N 426.582 4.650 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1255092008 HCZSHWRUMQDPIQ-PXDATVDWSA-N 427.589 4.954 30 10 IJEE CC#CCCCC(=O)Nc1nc(-c2ccc(Br)cc2)c(C(=O)OCC)s1 1273267270 ZMFRCPSLWOGXIZ-UHFFFAOYSA-N 435.343 4.881 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccncc1Cl 1286436936 BKRUIVLBNVBYFQ-UHFFFAOYSA-N 444.970 4.909 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(C)s1 1286550416 IBURFGOGUZAZCQ-IFMALSPDSA-N 433.581 4.804 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(Cc2cscn2)CC1 1286590153 SYCGQKJJUDAEHV-UHFFFAOYSA-N 436.629 4.597 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cnn(C)c2C)CC1 1286647686 KHTTZNBNNIVNHE-UHFFFAOYSA-N 434.588 4.536 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1286657041 YZNOWOROVRNUGI-YLJYHZDGSA-N 429.996 4.991 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccco1)N(C)C 1286743860 VOYVMBYEIGVQKV-HSZRJFAPSA-N 442.567 4.737 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)c(C)c1 1286754686 SEIZKPUSXADMQF-UHFFFAOYSA-N 444.352 4.720 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1csc(Br)c1 1286771328 JIXQRVOYEISCCP-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286799486 VPNMZHSORCBRNI-NRFANRHFSA-N 438.616 4.611 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cc(C)cs1 1286827522 RJQZSKLKIRWCIC-UHFFFAOYSA-N 428.583 4.599 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C)C2(CCC2)C1 1286827547 SNBUTIQIKCUOKW-SFHVURJKSA-N 442.629 4.898 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](COC)C1 1286831283 CETNWPWTASUNGI-LJQANCHMSA-N 435.037 4.694 30 10 IJEE CC(C)SCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1288419212 HNEHDVPZPLCQAL-QGZVFWFLSA-N 431.581 4.829 30 10 IJEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)N1CCC[C@@H](C)C1 1291105194 GIVYLOYLTGNQDU-NJYVYQBISA-N 434.632 4.810 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1 1292919208 DTAJWGIGGYERMF-UHFFFAOYSA-N 429.520 4.529 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(CCC#N)Cc1ccccn1)CC1CCCCC1 1293065724 HTZFOYKWHZVZMP-NRFANRHFSA-N 442.604 4.968 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 1300396556 YGBVEUZRKVYERD-UHFFFAOYSA-N 434.561 4.931 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](OC)C(C)C 1300521461 QGXKSFJANKBVPT-FQEVSTJZSA-N 436.556 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](C)C1 1300897492 SDBFUTDFWNRXAD-DXIQSLLYSA-N 444.670 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC(F)(F)Br 1300921449 PBRJJWGJOXEKJF-UHFFFAOYSA-N 438.320 4.671 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1300935475 RRRKFCCGYQWCPC-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC2(COC)CCC2)CC1 1301119437 IUVQNGMTCBPMCG-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCCC(C)(C)C2)CC1 1301129778 ATPMDCVPXSXKPE-UHFFFAOYSA-N 435.660 4.978 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1301134806 ORHBTWMLHDBRBN-DHLKQENFSA-N 438.616 4.937 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1301177192 UZIKNALZURXEOK-UHFFFAOYSA-N 447.583 4.864 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CCCCC1 1301203195 VIMKUVFSWIKARB-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CCCC1 1301339222 JRKVQEKCRCOLAB-OAQYLSRUSA-N 434.632 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccn(C)n1 1301359657 MZTXCURAQNBBAO-UHFFFAOYSA-N 442.951 4.774 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nc(C(C)C)cs1 1301405559 SUPSFQGNZMHNHJ-FQEVSTJZSA-N 437.569 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1301542191 LAWFZFCZMUFVKQ-GOSISDBHSA-N 448.445 4.575 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1306508096 BFYLGRNFWHEZFP-UNMCSNQZSA-N 448.615 4.528 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1cccc(OCC(F)(F)F)c1 1308378864 AHEITQIUZSCJSJ-UHFFFAOYSA-N 442.275 4.735 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)cc21 1311252977 XMQHDOCCGBLITR-SFHVURJKSA-N 429.446 4.642 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1312941687 HFECMKUVSXSJNO-APWZRJJASA-N 437.943 4.632 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCOCC2)C1 1314598008 HACPDKJFCHIRNN-NRFANRHFSA-N 439.629 4.745 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1349333852 ZGOWBTMABMUIIT-YTQUADARSA-N 430.595 4.559 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CSc2cccc(Br)c2)cc1 1351529084 SBFLMIRJHHKWTA-UHFFFAOYSA-N 445.382 4.994 30 10 IJEE CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 1353757671 GIISVJAILFHUJV-UHFFFAOYSA-N 442.500 4.901 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1cc(Br)c(C)cc1Br 1357783814 HYVGFCSCLUGVAT-UHFFFAOYSA-N 427.136 4.984 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1358924164 ODEMSEOOLRICMV-GOSISDBHSA-N 440.016 4.957 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)C[C@H](C)c1nccs1 1359052150 WAOXONQJVTXXMH-KRWDZBQOSA-N 425.627 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCc1ccc(OC)c(OC)c1Cl 1359110297 HVVLTQPBAATLNM-UHFFFAOYSA-N 441.963 4.656 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1359122898 DWNGISDPAQPBCY-NRFANRHFSA-N 426.561 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCCCCC1 1359184376 MNUBZPOVCAUUHI-UHFFFAOYSA-N 430.618 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359184457 PVXZCVXOCGDBKB-OAQYLSRUSA-N 449.603 4.606 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359210778 HGWOFXMSJGEVBR-UHFFFAOYSA-N 426.870 4.913 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1359316210 KIIXIGKZIZJCHE-SFHLNBCPSA-N 442.604 4.858 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)CCC1CCOCC1 1359339331 ASFXXXYWDLBCDP-UHFFFAOYSA-N 437.613 4.665 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@@H]2CCCC[C@H]2C)c1 1361017788 CMAGPHKCEZMBHB-MQSCRBSSSA-N 439.604 4.665 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)C(F)(F)F)cc1 1436238848 IQWMTJPFWKOOPJ-QFIPXVFZSA-N 444.405 4.871 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(C)c(-c2cnn(C)c2)c1 1436641761 YBAZMVGPKWXKHS-UHFFFAOYSA-N 426.314 4.975 30 10 IJEE Cc1ccc(Oc2ccccc2CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1 1436725285 DZJCLMJGEONPJY-RUZDIDTESA-N 425.532 4.987 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC(Cc3nc4c(s3)CCC4)CC2)cc1OC 1439822308 MSZFSYRDKONPAE-NTMALXAHSA-N 438.593 4.700 30 10 IJEE C=CC[C@@H](CO)CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1447028595 QDJMDLXKHJRRFV-OAHLLOKOSA-N 425.326 4.579 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 1452652061 BGRYQYSAMXFFTC-OAHLLOKOSA-N 425.316 4.500 30 10 IJEE C=CCCC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OC 1455832030 FNOQHLGVBJIGSO-MRXNPFEDSA-N 427.353 4.674 30 10 IJEE C#CCN(c1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1CCOc2ccc(Br)cc21 1458198453 PFAOFFKJAVYKHZ-LJQANCHMSA-N 438.281 4.869 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@H]1C 1458784864 VWJXOHIJWXGAFG-DBXWQHBBSA-N 427.614 4.910 30 10 IJEE C=C[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 1459315646 QUXCMVOYSGLXPE-NZCCEVMUSA-N 443.503 4.951 30 10 IJEE C#CCOc1cccc(NC(=O)N2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)c1 1465628674 RYYFRYMAOYUUPS-DHIUTWEWSA-N 449.551 4.742 30 10 IJEE C[C@H](CO[C@H]1CCOC1)NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1466867669 HNNYSFVJCRNSCP-KDOFPFPSSA-N 431.945 4.678 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](c3c(F)cccc3Cl)N3CCCC3)cc2n1 1467353232 JLFUYUNNZXELLQ-NRFANRHFSA-N 441.938 4.973 30 10 IJEE C=CC[C@@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C)c1ccncc1 1468886557 ZYPADJZPRJCSJG-AZUAARDMSA-N 428.577 4.520 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)N(C)C 1470582217 NHFQPPWHIMAHOE-YYWHXJBOSA-N 442.431 4.682 30 10 IJEE CC#CCNC(=O)c1cc(/C=C\c2cccc(OC)c2)nc2ccc(Br)cc12 1472539090 RBQNNEHVMINDOT-NTMALXAHSA-N 435.321 4.929 30 10 IJEE C#CCOc1ccc(NC(=O)N2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)cc1 1476151055 UCFZOPBQZLSMBY-GOTSBHOMSA-N 449.551 4.742 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)c(Cl)c1 1478581170 GRSXUYFRRWLZEG-AZUAARDMSA-N 426.923 4.519 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCn2c(Cc3ccccc3F)nnc2C1)c1ccccc1 1479190326 FTGOHTBNYLELOV-JOCHJYFZSA-N 433.531 4.631 30 10 IJEE CSc1cc(Cn2c(CC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)ccn1 1505199324 ICWMXMBUFXSTKB-UHFFFAOYSA-N 444.608 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC1(C)C 1507532479 KZMWBZUOTIAVEL-SLFFLAALSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(CC)C[C@@H]1CCCO1 1507557729 AXJKPVDGWSGLML-KRWDZBQOSA-N 431.378 4.516 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[C@@H]1CC 1507611886 SJYSJIBKKCELEH-RDJZCZTQSA-N 431.378 4.612 30 10 IJEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2(CC)CCC2)CC1 1507728339 XWAUQINFRYHYQT-UHFFFAOYSA-N 449.643 4.624 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2csc(C)c2)CC1 1507894687 JRESJWXMDHCDRO-UHFFFAOYSA-N 435.597 4.968 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCC)CC1 1507898348 XFTBSPKNCMYQSI-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)CCOC)CC1 1507906129 HEIKSJPQLAKFDJ-UHFFFAOYSA-N 434.588 4.596 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCCS1)C1CC1 1507987769 CAQIEXMKHARXQQ-INIZCTEOSA-N 449.418 4.767 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1cc(C)oc1C 1507996851 KSYMFOFVDOKLGP-WXTAPIANSA-N 447.583 4.973 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1sc(C)nc1C 1508026385 UNVDBMGOZXXYHB-OAQYLSRUSA-N 437.613 4.529 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1517105324 FWMRNNKQTLAYDI-GOTSBHOMSA-N 444.583 4.689 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc2c1C(=O)OC2(C)C 1520236465 LPGUZSVSITUWPQ-UHFFFAOYSA-N 432.289 4.822 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cccc(OCC(F)(F)F)n1 1520511909 OFHCXJVXMLQIGC-UHFFFAOYSA-N 434.336 4.536 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cnn(-c3ccccc3)c2I)CCCC1(C)C 1530839874 NRRRVVAXNJKIST-KRWDZBQOSA-N 449.336 4.684 30 10 IJEE CSc1nc(Cl)c(C=NOC(=O)Nc2ccc(OC(F)(F)F)cc2)c(Cl)n1 1531872451 PCGSGDQGIGMBKR-UHFFFAOYSA-N 441.218 4.987 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C(C)C)C(C)C 1538970759 FEOWVLPXPNIXDW-IFMALSPDSA-N 425.621 4.612 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539079591 WJSZLJUFZOSLRN-LJQANCHMSA-N 429.490 4.863 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCC(F)(F)CC1 1539158663 GIXZTVGYZLLCJW-UHFFFAOYSA-N 437.332 4.911 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cnn(CC)c1 1539566370 IVVKXCCXJVNFNK-AREMUKBSSA-N 446.599 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@H](COC)C1 1539909007 FJBTZSSUEFSBAA-IBGZPJMESA-N 442.604 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@H]1CCC(=O)N1 1539932096 VNWZORPOIUCBDG-XFQXTVEOSA-N 445.995 4.673 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C(C)(C)C)C1 1540020022 GIZGAKSHOZZFNJ-FQEVSTJZSA-N 434.588 4.800 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCCCC1)C1CC1 1540095882 YONOHLYZEFPLPG-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@H](C)C1 1540191099 CIJQERVJMFWQTM-GJZGRUSLSA-N 439.423 4.844 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccco1 1540919659 FAAVOJQOBRVXMU-FQEVSTJZSA-N 435.553 4.582 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nc3cc(OC)ccc3n2Cc2ccccc2)cc1 1544128250 NEMDZCMOILSBFI-UHFFFAOYSA-N 427.504 4.839 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cccc(Br)c3C2)cc1OC 1544450034 YVLDEPOIPSTMNI-CSKARUKUSA-N 428.326 4.621 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)c1ncc(C)s1 1555894185 HTQVHXBZEGYQCE-BEFAXECRSA-N 438.626 4.717 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(F)cc1OC 1557076822 OPCMWJBQKSOJJV-AWEZNQCLSA-N 445.329 4.785 30 10 IJEE N#Cc1cc(S(=O)(=O)N(Cc2ccccc2Cl)CC2CC2)ccc1C(F)(F)F 1561555970 FBKXZYKUWSBOMU-UHFFFAOYSA-N 428.863 4.831 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c3ccccc3)cc21 1563315563 MRENSWTVQHYFNI-RUZDIDTESA-N 434.540 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCn1ccnc1C 1587586992 VZADEMFSEPROLQ-MSOLQXFVSA-N 436.629 4.575 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCSc1nccs1 1587593354 JJKJSIVXZNOFAX-AWEZNQCLSA-N 448.017 4.704 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1587777778 QWVMZMQQKWAOFH-QHCPKHFHSA-N 449.624 4.578 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1587818443 WKKAIBCOUXNLDF-ICSRJNTNSA-N 442.007 4.533 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](C)CC1 1587831228 KXUQEIHWVJCOKU-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCCS1 1588089269 HJWUHTPFVZARPX-QHCPKHFHSA-N 443.620 4.711 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C(C)C)C1 1589742543 TVNYBWDPTXEGKR-AWEZNQCLSA-N 427.437 4.923 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCCCC)C(C)C 1593636859 UBCSJMVSDOPHTP-IBGZPJMESA-N 435.613 4.568 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1594115477 SBEJSCSCYNTQOO-QFIPXVFZSA-N 436.629 4.565 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cccs2)CC1 1594583007 WXVZLRDLUBGHTA-UHFFFAOYSA-N 432.597 4.557 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H]1CC 1594720332 JLYLTVHAHUASTM-MOPGFXCFSA-N 434.588 4.827 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1ncc(C)s1 1595115193 GLVIZBWJQOWYFG-GHTZIAJQSA-N 437.613 4.933 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(SC)CCC2)C1 1595729690 NXNYPJGHIAFFGZ-IBGZPJMESA-N 433.021 4.589 30 10 IJEE CCc1c(C(=O)Nc2cccc(C#N)c2Br)cnn1-c1ccc(Cl)cc1 1598028592 AIADGTLKIJGRIJ-UHFFFAOYSA-N 429.705 4.975 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1612619715 CILUEEIFWJDEIL-HRCADAONSA-N 436.585 4.556 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)C(C)C 1615884300 VEDOBJBITWUUCL-HSZFRPHQSA-N 447.664 4.521 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)C1 1617475215 BOSGVMNFKDXXGT-MISYRCLQSA-N 427.643 4.680 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1 1621745045 YVHUEKHTKIBFIY-UHFFFAOYSA-N 441.961 4.907 30 10 IJEE CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 1622956840 CQTDEQOAGPVGJH-IEBWSBKVSA-N 436.512 4.729 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 1627150613 KQRNQDSABOGYJY-UHFFFAOYSA-N 428.554 4.536 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1OCCCC(C)C 1630131011 QVBUNEVXPUZUAE-NRFANRHFSA-N 430.589 4.733 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Nc1ccc(F)cc1F 1632959233 MSUQPHKCODWUIJ-HXUWFJFHSA-N 429.467 4.954 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633894622 DLKAXFTZPXIMJW-IBVKSMDESA-N 442.559 4.732 30 10 IJEE CCOC(=O)Nc1scnc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1634607954 GPJZNTRSBBOTCI-UHFFFAOYSA-N 426.429 4.767 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1636558191 WSGJTGUIVCBYIU-OALUTQOASA-N 433.980 4.739 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)c1 1639992647 BFCICCKMKWWYDL-UHFFFAOYSA-N 443.286 4.940 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2sc3c(c2c(=O)n1CC(C)C)CC[C@@H](C)C3 1640703034 LGLABHYIMQTCCR-MRXNPFEDSA-N 445.654 4.532 30 10 IJEE CC(C)(COc1ncccc1C(F)(F)F)NCc1ccc(C#N)cc1Br 1645260335 GFYYVKLABVRDKD-UHFFFAOYSA-N 428.252 4.682 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 1645614019 GRUZCNGSHIAMJO-QHCPKHFHSA-N 430.470 4.773 30 10 IJEE C#CCN(C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1647736306 HERBCBATJUYLOA-IFMALSPDSA-N 440.584 4.678 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)ccc1OC 1651116340 GZSSNRDDBQZTNT-XMSQKQJNSA-N 426.532 4.631 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](COc2ccccc2)c2ccccc2)cc1C(F)(F)F 1654079255 IFFWYKUNBJULLT-OAQYLSRUSA-N 446.450 4.676 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@H](OC)C1CCCCC1 1661282835 WTRNJUJFBHXJPN-IBGZPJMESA-N 448.398 4.501 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)C1 1667099539 COKKRHSUHBCGQJ-IBGZPJMESA-N 429.520 4.972 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 1670716911 XLFMKUDEPMVJDA-VQTJNVASSA-N 430.335 4.871 30 10 IJEE COc1cc(NC(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)c(F)cc1C#N 1671933387 FJLYIXCAEMYOHG-UHFFFAOYSA-N 449.482 4.828 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cccc(OC(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1674326742 OGNYPHWBQDDDJC-IBGZPJMESA-N 443.588 4.579 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@H]1CC1CCOCC1)c1ccc(C(F)(F)F)cc1 1680855818 QMRQTIGKCGXYJQ-RTWAWAEBSA-N 440.506 4.940 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1681941910 FNHWBELQESLFFM-XPWALMASSA-N 441.616 4.852 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1689876623 FTBDTJBLQGEMKD-UXHICEINSA-N 440.588 4.624 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CCOC 1689945490 FFSXKYUOTSVJOC-SFHVURJKSA-N 432.996 4.820 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1690091574 YBRZXWATHSHKKI-QFQXNSOFSA-N 439.623 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1690201565 PHHSHSGESHBKHJ-DENIHFKCSA-N 443.448 4.953 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)CC[C@@H]1C 1690249071 SVSTZGYPMOSNSD-MIVHDCIWSA-N 430.543 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCC[C@H]1CC 1690258761 SJNBEZKXMNWZKT-HXUWFJFHSA-N 426.565 4.520 30 10 IJEE C=C(C)Cn1c(N2CC[C@H]3CCCC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690298222 SYUFHDGOAOSEPG-WCIQWLHISA-N 429.609 4.641 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C2(CCC2)C1 1690330178 CINAZPOTOHYPMN-CYBMUJFWSA-N 438.801 4.815 30 10 IJEE C=C(Cl)Cn1c(N2C[C@@H](C(F)(F)F)O[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1690358668 HQCGMDZMMZTMCL-WBVHZDCISA-N 440.897 4.657 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](C)C2)CC1 1690374400 USRGJAZDKUKKNF-PWRODBHTSA-N 443.636 4.985 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](COC)C1 1690455770 NUMFZNKTFLIAJC-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690457109 RBWACKOYQKSLOE-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1OCCC1(C)C)C1CC1 1690540095 ZLFBECLXJGVGRH-SFHVURJKSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1690561232 IHKFKPMIQJSMMC-RBZQAINGSA-N 449.599 4.645 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[C@@H](C)N2CCCCC2)C1 1690690150 SBAAWKAMFCZUIZ-QPPBQGQZSA-N 437.632 4.553 30 10 IJEE CC[C@H](C)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)OC 1693974173 HNGIZLYOXRLAAJ-MBSDFSHPSA-N 434.588 4.541 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)ccn1 1696530283 DLQJEBGOFLYVNL-QZTJIDSGSA-N 432.597 4.854 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1CC 1705515542 GWZHAJCWLGRRLY-WOJBJXKFSA-N 429.609 4.575 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1705527584 CPWOMGWDUYFSOX-SFTDATJTSA-N 442.991 4.804 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CC)(CC)C1 1705653755 PFQWUQYQLRFPRW-GOSISDBHSA-N 430.593 4.940 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1ccco1 1705683406 HCACPRCCAIKQEB-MRXNPFEDSA-N 429.318 4.797 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(F)cc(F)c1 1705705505 IIQOAXLBILZHJD-XMSQKQJNSA-N 444.551 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705708727 GKEOKVLFKFWYAS-VTKNMLBTSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[S@@](=O)C(C)(C)C 1705710494 MWENLSBMNGMLAQ-NOVUIFNWSA-N 436.597 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C1CC(C(C)(C)C)C1 1705714586 XUBCSLLSBZQDJJ-UHFFFAOYSA-N 444.649 4.638 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705788630 HGDMNGRHCXRKLI-UHFFFAOYSA-N 446.477 4.820 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1705797151 QTQRIEKCWTZRDH-AZUAARDMSA-N 444.505 4.817 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705832216 QQEUDTRVRZGXJI-NYVOZVTQSA-N 428.552 4.604 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(OC)C1CC1 1705859482 BCOJFCCETQUETD-SANMLTNESA-N 442.567 4.528 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(C)C 1706733832 AAIGXFZOTJKXJI-PXNSSMCTSA-N 430.512 4.503 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN(C)c1ccccc1 1722323629 VTJASMMPXGXFFA-DHIUTWEWSA-N 437.632 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H](OCC)C(C)C 1722379424 HYWOBJMEAJHERE-FPOVZHCZSA-N 438.641 4.655 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(CC)CCC1 1722390581 UBICJWXLEGJREE-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1722451118 GGETWMJPKQJLQZ-QZTJIDSGSA-N 430.593 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@H]1CCO[C@@H](C)C1 1722466713 CXCNKERRBIGBBI-UVPKRVSESA-N 440.563 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC(CC)(CC)SC 1722497837 FCVWHSAVPWJEFA-JOCHJYFZSA-N 430.593 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)C1CCCCC1 1722517723 XMHBHLJDURYFQO-DEOSSOPVSA-N 430.568 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCCc1nc(C)no1 1722662766 LRJUWGHIIDZGNC-UHFFFAOYSA-N 438.532 4.663 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722669919 RMGPGCNSSPUXBS-KRWDZBQOSA-N 435.597 4.762 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1ccnc(C(F)(F)F)c1 1722670740 WHUKLGHDESCDEE-UHFFFAOYSA-N 427.474 4.818 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)C[C@H](c2ccsc2)O1 1726666214 HSMZAPWTKOKFET-DNVCBOLYSA-N 443.523 4.890 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)(C)C 1731050022 BLUNJRFKCZACGI-LJQANCHMSA-N 441.645 4.988 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)COCC 1740726753 MYFIVVWXUQYIKX-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCN1CCC[C@H](C)C1 1740732892 ULJVJJAJRILKFX-WXVAWEFUSA-N 433.644 4.682 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740785274 SIXHCLISLPRBBN-QHCPKHFHSA-N 430.618 4.797 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740996865 JVAGXOAZNDLVLB-PKOBYXMFSA-N 427.574 4.789 30 10 IJEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC=C(C(C)(C)C)CC1 1741003960 KJBHSHTXXCKCPQ-UHFFFAOYSA-N 436.629 4.618 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1748736829 SEEFOTFUYBZAQG-YADHBBJMSA-N 436.600 4.580 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccsc1Br 1748834186 HNUZQXMPHKFKOY-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCCc1nc2c(s1)CCCC2 1748879971 IMMVZNLUZRTSDN-UHFFFAOYSA-N 443.620 4.685 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749079103 XQDNCXMTOCHYNQ-GDKKVTFASA-N 449.643 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1749131019 PLTHKJINTTXITH-LSWJPFSZSA-N 442.579 4.565 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C1CC1 1749537996 QXSFSSUKJDUBQY-DRLORSAXSA-N 438.616 4.550 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749638146 ZDLDOKACYRWBPS-SFHVURJKSA-N 444.988 4.551 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCC1(F)F 1750060374 GVBYRTRXALLEDU-IXDOHACOSA-N 435.494 4.979 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@](C)(O)c2ccccc2Cl)o1 1751477786 DCKJPAIHTDOHQA-QHCPKHFHSA-N 439.947 4.538 30 10 IJEE Cc1csc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@H](C)C#N)n1 1751749644 HPDKTOYTDCBRRT-UONOGXRCSA-N 426.615 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1CCC(OC)CC1 1760098703 WDSYQAQQTNKKRF-WBYGSUFKSA-N 428.552 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)N(C)C1CCCCC1 1760106729 NJGNKBWHRPQIHJ-HNNXBMFYSA-N 448.398 4.501 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)Cc1cccs1 1760223896 PYOOBCBMNKYFKW-JOCHJYFZSA-N 446.620 4.877 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCn1cc(Cl)cn1 1760331383 RZOMFZXCBOYEER-UHFFFAOYSA-N 435.963 4.754 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)[C@H]1C 1760342231 BQTCQJVOSNKHJM-CHWSQXEVSA-N 425.371 4.753 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1760345637 LBFVNZTZMDHJLY-SESVDKBCSA-N 443.636 4.984 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N(CC)C[C@H]1CCCO1 1760368524 FIZAMZAGPIIESG-GFCCVEGCSA-N 431.787 4.527 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2cccs2)CC1 1760406270 ZBLWURPHIJYXSC-FPGHNAPASA-N 444.645 4.568 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1760432760 TXTBLVKZIQZZLH-UHFFFAOYSA-N 443.020 4.652 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1760437345 ZCHJBWMLUDDHKJ-OAQYLSRUSA-N 430.618 4.896 30 10 IJEE CC(C)COc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1761139237 FCNMYEWGGSYCMD-RDGATRHJSA-N 437.588 4.733 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2csc(-c3ccco3)n2)cc1 1761818318 FQLPGPFKKIXKIM-KRWDZBQOSA-N 448.552 4.669 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(OC)c(OC)c1 1861087015 JLTUFFXTKZWMJG-NRFANRHFSA-N 434.621 4.644 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(Cl)c1 1862380396 BLOVTOBYLPNZBQ-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCN2CCCC2)[C@H]1c1ccccc1)c1ccccc1Cl 1862429433 MTMZGXRVBGENBL-QFIPXVFZSA-N 438.955 4.794 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(C(=O)OC)cc1 1862510595 FNYOGIWVKRRTHB-OAQYLSRUSA-N 439.483 4.689 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862533214 JPBVVNGBIPXYMY-NRFANRHFSA-N 448.500 4.997 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862535959 NSAZHIRFTFHXEE-GYCJOSAFSA-N 443.499 5.000 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862544419 CGPFUIFZFJDPGI-XMMPIXPASA-N 442.490 4.878 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)C)cc1 1862560657 KRAJLJBYXACZEZ-QHCPKHFHSA-N 436.552 4.786 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC)cc1OC 1862682836 DCUHIXRRRPIEMQ-NRFANRHFSA-N 427.472 4.611 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2Cl)cc1 1862689024 GWMRRWWWRALMOM-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H](C)O)c1 1862720103 SJEXYEHHVVZHHU-XDHUDOTRSA-N 445.515 4.588 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862736162 GQHRIHMSLCAWGJ-HSZRJFAPSA-N 442.471 4.806 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 1862736511 ZCXKNRGFRJYKBE-QFIPXVFZSA-N 446.434 4.555 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCCOCC)C1=O 1863675162 FOSUXRLEKDJQAT-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccc(C(C)C)cc1 1865150266 CPNIIERBYBDVCQ-HSZRJFAPSA-N 448.611 4.866 30 10 IJEE Cc1ccccc1OCCCC(=O)Nc1c(C#N)nnn1Cc1ccc(Cl)c(Cl)c1 1870105999 RYXAGAVCCVZEGA-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN1CC(O)C1 1870439183 QTVUBPMEILCFSL-UHFFFAOYSA-N 432.992 4.618 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1Cc1ccc(O)cc1 1870686938 SKNDFNVYMXYCGV-UHFFFAOYSA-N 444.575 4.788 30 10 IJEE C#CCOc1cn(CCCOC(C)C)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871006131 QKPFAKQDPUPEDL-UHFFFAOYSA-N 444.575 4.878 30 10 IJEE CCCCN(CC)Cc1c(O)ccc2c1O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 1871394485 ATFVEONZWSUSLE-STZFKDTASA-N 441.524 4.656 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872267650 JPLQKZBXTZNDFU-UTKZUKDTSA-N 434.989 4.879 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1c(C)cc(C)cc1C 1872707860 LBEHCZJZSWUCIM-UHFFFAOYSA-N 444.576 4.883 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3c(OC)cccc3OC)n2)cc1Cl 1872785704 TZDJBLOYVHTDGX-CYBMUJFWSA-N 428.897 4.979 30 10 IJEE C=CCNC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CCCC2 1873442033 CHPXWUINYLYSFE-UHFFFAOYSA-N 439.364 4.867 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCC[C@H](C)C1)n2Cc1ccccc1 1873554879 BLOXGJSLVPPYCB-FQEVSTJZSA-N 429.568 4.530 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(NCCCCN(CC)CC)ncnc21 1873630258 RYATYPIQENTWRN-UHFFFAOYSA-N 434.588 4.712 30 10 IJEE CCCOc1ccc(/C=N/Nc2ncnc3c2[nH]c2cc(OC)c(OC)cc23)cc1OCC 1873793133 XYUSGIYWMGCOPA-UVHMKAGCSA-N 449.511 4.762 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SC)c1 1874212231 BZVNQEYHJOEMGM-OEAKJJBVSA-N 446.960 4.564 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874278580 WTYXGDUDUPRVTM-YNYZQSIGSA-N 447.608 4.875 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccco2)cc1 1874292799 HDGZNRIGEFPRKL-ZVHZXABRSA-N 434.521 4.942 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccco2)cc1 1874464328 DBKLVAZLMHCGOJ-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE COc1ccccc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 1874466028 NSSQLTWOBQCFFQ-LPYMAVHISA-N 435.465 4.629 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(F)cc1 1874479204 OEGOINJIARENBG-ZMOGYAJESA-N 436.516 4.583 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2c[nH]c3ccccc23)o1 1874495504 OPQKLUCMVSIVIK-WYMPLXKRSA-N 435.509 4.581 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccccc1Cl 1874525556 SVWWQIXOKXADQW-FSJBWODESA-N 427.961 4.724 30 10 IJEE CCCOc1c(/C=N/n2c(S)nnc2CCc2ccc(Cl)cc2)cccc1OC 1874566082 JCDMJAADUFCURZ-OEAKJJBVSA-N 430.961 4.685 30 10 IJEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 1874593750 AALOCLGEIGHFRQ-ZRDIBKRKSA-N 425.525 4.627 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707622 NVVNVUGWTLTMQE-WUXMJOGZSA-N 446.455 4.695 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1875160240 HDWUYFFAHWLNQD-JXMROGBWSA-N 426.509 4.839 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)[C@H]1CCCO1 1875168617 MOFYNMCHUQKLMM-LCCNJJIFSA-N 438.520 4.918 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@H](CN)c1cc(Br)ccc1Br 1927789727 HMBBVZZXGOBPLO-CQSZACIVSA-N 434.172 4.635 30 10 IJEE C#CCCCCSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1957087983 OJIRYBMKHPJOLE-HSZRJFAPSA-N 437.561 4.905 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 2007710576 VSCYHUDQMPAJPS-DXIQSLLYSA-N 442.522 4.783 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079954082 HMGWJCDXNUCXQY-SFHVURJKSA-N 433.293 4.553 30 10 IJEE CC[C@H](C)[C@H]1CSC(=Nc2cc(Br)ccc2I)N1 2081319023 JLAGJFWZQAXOQX-QPUJVOFHSA-N 439.160 4.792 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 2159128032 NGQOMXSESYAZRD-UXHICEINSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2N1c1cc(Br)cc(F)c1C#N 2174764715 BXIKIPSJTSRISL-RVSPLBMKSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CCCCN(c2cc(Br)cc(C#N)c2)CC(F)(F)C1 2174769308 JKEHXOFLNNFLGO-UHFFFAOYSA-N 444.320 4.793 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1cc(Br)cc(F)c1C#N 2174814315 GVZLRPZQFYZTAG-IAGOWNOFSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1cc(Br)ccc1C#N)C1CCCC1 2181104515 AARDRMTZHYXXOP-MRXNPFEDSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)Nc2ccc(C#N)cc2Br)C1(C)C 2186208406 AXGVRYHWNDRQDI-CJNGLKHVSA-N 436.350 4.589 30 10 IJEE C#CC[C@H](CNC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C1CC1 2196810164 SNGATWFGNWSVQK-OAHLLOKOSA-N 435.362 4.884 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CCN2c1cc(Br)cc(F)c1C#N 2197339072 IMMPWPZSHHMIEJ-RBZFPXEDSA-N 438.341 4.734 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1CC#N 2210488800 ZRAMBYFVWVVRFF-OSWQYVSFSA-N 445.563 4.844 30 10 IJEE O[C@H](C#Cc1ccc(Cl)cc1)c1ccc(Br)cc1I 2230988467 FZVRHTZJUCSZBH-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@H](O)C#Cc2ccc(Cl)cc2)C1 2248459306 WILWRZGHJXQFGZ-JOCHJYFZSA-N 441.955 4.506 30 10 IJEE C=CCCC1([C@@H](N)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266317679 JQHAGCMLKPDPFY-INIZCTEOSA-N 431.321 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c2ccccc21 2267096836 LRYIDJAAGCUWFP-IAGOWNOFSA-N 442.365 4.647 30 10 IJEE Cc1cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2267602684 QAWHWTINHQTRGS-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE CC1(C)OB(c2cnc(Nc3cc(Br)c(Cl)cc3F)c(F)c2)OC1(C)C 2284363508 SFOWWLXULYPSPW-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@@H](O)CC#CC1CCCC1 2289900496 DPCPIYBDDIMDIL-PMACEKPBSA-N 436.390 4.830 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2296217293 SNRANDDYHDJMLB-QAPCUYQASA-N 449.311 4.624 30 10 IJEE C[C@H](C[C@H](O)C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296281791 OICDVEUYWCKCPG-YVWKXTFCSA-N 436.390 4.835 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2296284466 RAQYYWVXNGJIFX-NSISKUIASA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(C)ccc1I 2296291273 MPJMQYYSRDWXTN-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2296304798 LKMCRBICOBDQEX-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](CC(C)C)CC(=O)O4)C2=O)c(OC)c1OC 2297640005 BLTRZJKQEUMWFA-HNNXBMFYSA-N 438.476 4.767 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(NN=CC=Cc2ccccc2)n1 2313601779 RLNBUZFIQSCJHF-UHFFFAOYSA-N 426.933 4.608 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1N=Cc1c(C(=O)O)[nH]c2ccc(OC)cc12 2321766868 ZXGMRKLSRWWKRU-UHFFFAOYSA-N 449.536 4.593 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 2322194829 ZPNNRVARBGXQBH-UHFFFAOYSA-N 434.473 4.667 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccccc2)cc1Cl 2322974755 JJNACLPZFRHGLK-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE C[C@H]1C[C@](C=O)(Cc2ccc(I)c(Br)c2)CCS1 2325273957 BCCXUMRNZYNFMN-HZMBPMFUSA-N 439.156 4.697 30 10 IJEE COCCC(=O)Oc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC 2325752247 VJTXRPZKTVAXGV-UHFFFAOYSA-N 426.509 4.839 30 10 IJEE CCCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(O)cc1 2325969667 IMTJVXAOQBPHNQ-UHFFFAOYSA-N 431.359 4.721 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327544915 OOROBWDRSNHJSQ-UHFFFAOYSA-N 443.916 4.969 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2cc(C)ccc2O)CC1 2328180013 RVYMWLQFKDGOSC-UHFFFAOYSA-N 444.601 4.903 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(C)cc1 2330221770 KOLUHTZBTAWPQR-UHFFFAOYSA-N 427.618 4.552 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)cc1 2330532532 JFQJWJFRTCPROB-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2)c(OC)c1 2331051304 UHYDXFWJTZKFTP-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(F)cc1F 2331325104 KENSHMXYLSCNOG-UHFFFAOYSA-N 447.486 4.651 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccs2)c1C 2331366240 CSUUUHAUOTVKLB-UHFFFAOYSA-N 427.599 4.867 30 10 IJEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc2c(c1)OCCO2 2331443318 MFZJKPFXOSGPNF-UHFFFAOYSA-N 426.517 4.561 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C(C)C)cc1 2331673208 PFDVNIVMHXLOID-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339584643 DPKPSQVKPHSMDF-QGZVFWFLSA-N 443.397 4.784 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2363625214 ZGGXKCSTGNEHRW-RTBURBONSA-N 449.414 4.586 30 10 IJEE CC(C)(C#N)c1ccnc(Nc2ccc(I)c(Br)c2)c1 2363653599 BUVNABTYCLAQLS-UHFFFAOYSA-N 442.098 4.993 30 10 IJEE CN(Cc1csc(Br)c1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2369094719 OQFGGXRBCDMECW-UHFFFAOYSA-N 440.187 4.581 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)COc1ccc([C@H](C)CC)cc1Br 14831956 FHXQYUKRQXSMBR-OAHLLOKOSA-N 445.357 4.896 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C31CC1 16677430 XSVHTARFIJBVCC-JIBSYPBJSA-N 427.287 4.785 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)c(C)c(C#N)c2=O)cc1 38624156 NSNVSJQJUGZIPU-APWZRJJASA-N 445.346 4.865 30 10 IJEE CC[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)Nc1oc(C)c(C)c1C#N 40169258 YHPYQRJDMMVLDO-KRWDZBQOSA-N 432.432 4.931 30 10 IJEE C=CCc1ccc(OCCCn2c(CCCNC(=O)C3CC3)nc3ccccc32)c(OC)c1 40205022 ICTVSBYJQLAEFU-UHFFFAOYSA-N 447.579 4.701 30 10 IJEE CN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 59446495 YNWNTOZXDNJTMU-QGZVFWFLSA-N 436.364 4.882 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922110 UREDLHYSXOCWML-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC(C)C)cc1 169928076 OYTRSJBIQNKIIP-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929225 PIYMWQSFGKOHNH-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1cc(C)ccc1C 169936528 SWPFUAUNWZCJOK-XMMPIXPASA-N 436.577 4.759 30 10 IJEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936599 BHLJDRGVPZLPIO-VWLOTQADSA-N 438.483 4.669 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc3ccccc23)cc1 170044753 WWLMYYUFMFHANH-RDPSFJRHSA-N 427.500 4.906 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 170092539 IJPRUCUXZWMJOV-GOSISDBHSA-N 442.786 4.763 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@@H]3c3ccco3)nc2c1 170098353 QLNWVFRGCXDKEX-NRFANRHFSA-N 438.443 4.729 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C 170163276 IJPRAJNNKHIAOZ-OAQYLSRUSA-N 434.517 4.629 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)cc1C 170169223 ZWENCENOERXCFJ-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccnc1 170196796 BWRIQOAWLKHTDZ-HSZRJFAPSA-N 430.504 4.628 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2CCC)cc1 170216199 IHIMZIFDTOPDIP-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1C 170251229 CNOCLKWHVMLPKQ-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1c[nH]c2ccccc12 170255940 WCZWHHDJRIUTNX-QHCPKHFHSA-N 446.503 4.708 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)c(C)c1 170258027 VXEDGAMGDYYZKR-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(CC)cc2)cc1 170265948 YGUJKAHNNRHJFV-LADGPHEKSA-N 449.547 4.795 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C[C@H]1CCCO1 170273421 GCZNDIYOHHWBJZ-QPPBQGQZSA-N 449.547 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 170296765 AYHAVLHZOCATHI-HXUWFJFHSA-N 425.843 4.893 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 195728014 CVGOCBYMSXKXPT-UHFFFAOYSA-N 430.386 4.628 30 10 IJEE Cc1ccc(Cn2nc(C)c(/C=C\C(=O)Nc3ncccc3OCCCC#N)c2Cl)cc1 209646228 ORYAITWUUGWRNS-QXMHVHEDSA-N 449.942 4.931 30 10 IJEE CC(C)c1ccc(C=Nn2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1 254302035 RUNBEFIYJSMQDA-UHFFFAOYSA-N 440.551 4.845 30 10 IJEE CCSc1nnc(NC(=O)CSc2nc3c(cc2C#N)C[C@@H](C(C)(C)C)CC3)s1 261526812 LZPOVPIQRBJELA-AWEZNQCLSA-N 447.655 4.799 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](CN2CCCCCC2)C1 303796896 WAUYQCJRFDYEQE-SFTDATJTSA-N 428.646 4.607 30 10 IJEE N#Cc1ccnc(Nc2ccc(I)cc2Br)c1Cl 310654973 OXYUWPBSZOIGDG-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=CCn1c(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nnc1-c1ccc(F)cc1 443440824 AABYMONTLIBVDL-UHFFFAOYSA-N 432.440 4.749 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(C)(C#N)CC3)c2)cc1 507827405 GJSDBGSRKUJQJF-UHFFFAOYSA-N 439.581 4.596 30 10 IJEE C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 511003786 VHJIHQZQHPHOBF-MRXNPFEDSA-N 442.357 4.505 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)n1nc(C)cc1C)c1ccc2c(c1)OCO2 517655058 QXQYGVNJTKGJGT-LJQANCHMSA-N 433.508 4.588 30 10 IJEE N#Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 526669487 ZOKIAXQMNFGKAQ-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526809978 YUIFTFLXZNCQQA-QRVIBDJDSA-N 439.541 4.939 30 10 IJEE COc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC(C)C)cc1Br 555404774 PKDZDWGBPQOINZ-UHFFFAOYSA-N 432.366 4.502 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 559003894 HFLQIBTZTXXARE-QGZVFWFLSA-N 429.996 4.552 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 559008271 VBNNGVUWFSAQOW-YKSBVNFPSA-N 427.552 4.824 30 10 IJEE C=CCn1c([C@H]2COCCO2)nnc1N(Cc1ccc(-c2ccccc2F)s1)C(C)C 580130657 FEDJSZGOFJEZIZ-HXUWFJFHSA-N 442.560 4.835 30 10 IJEE CN(C)CCOc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 603922265 CIVCXTBOHQWBBS-UHFFFAOYSA-N 445.588 4.721 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c(Br)s1 698931421 NLAOVHJJXJKBSI-SNVBAGLBSA-N 434.153 4.708 30 10 IJEE COc1cc([C@H](C#N)NC(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc(OC)c1OC 742060291 PQYIXJQSKDQSQW-GQPJMJRUSA-N 434.414 4.516 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 796793519 SGBZKLSRMYRTPF-KZULUSFZSA-N 433.291 4.558 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809912238 PBZFUZOCNMZWAJ-MHZLTWQESA-N 439.563 4.518 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1ccco1 809922729 VTKWOWUWPCQXHD-ZWKOTPCHSA-N 427.549 4.513 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 812752000 RETXUEWYLPUJEO-IBGZPJMESA-N 438.528 4.765 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 917712698 GQQPPEUDIHTVBQ-FQEVSTJZSA-N 425.554 4.799 30 10 IJEE CCCCCCCN1C(=O)C[C@@H](C(=O)NC)SC1=Nc1cccc(C(F)(F)F)c1 1084101409 GJKIXSZESCUQFL-INIZCTEOSA-N 429.508 4.743 30 10 IJEE Cc1c(F)cccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1 1084425096 FAHFCMNPBYDVGU-UHFFFAOYSA-N 434.500 4.582 30 10 IJEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)n[nH]1 1084443036 CDJOWDZUBYVFNQ-UHFFFAOYSA-N 445.618 4.571 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Oc2cccc(C(=O)NCc3ccccc3)c2)cc1OC 1124640696 DWTNUBHVBICWOA-SQFISAMPSA-N 443.499 4.809 30 10 IJEE C=CCN(C(=O)c1ccc2cc(OC)c(OC)cc2c1)[C@H](Cc1ccccc1)C(=O)OCC 1128112935 YINVJXJKLXOUOL-HSZRJFAPSA-N 447.531 4.660 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1)C(C)(C)C 1129616421 QKPMDZAKINGDTP-IBGZPJMESA-N 446.519 4.797 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)C2CC(C)(C)C2)ccc1Cl 1129676544 YIJQIAUFFBBGGK-UHFFFAOYSA-N 447.000 4.982 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)c1ccccc1 1133167585 AWDSQWNYAFLXDC-SFHVURJKSA-N 436.371 4.680 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](O)c2ccc3ccccc3c2)s1 1137389163 DUXNCIOBPZERDL-SFHVURJKSA-N 432.998 4.842 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 1142655763 WTZVDEQGNLXTAM-ICSRJNTNSA-N 449.576 4.812 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)Cc1cccc(Br)c1 1142742378 CCIPNRSDRUTTOZ-MRXNPFEDSA-N 440.341 4.561 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 1147155683 AZQCGAQHLNESAY-UHFFFAOYSA-N 435.446 4.901 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)cc1)C(=O)OC 1155475640 RSCGICGDDCIPDZ-LJQANCHMSA-N 432.314 4.869 30 10 IJEE C[C@@H](CC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1157523420 AMBKHSLUILWGTM-IBGZPJMESA-N 439.600 4.938 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)CCCCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164417673 BJQFBMXZFWMXMU-HOTGVXAUSA-N 447.670 4.946 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1 1168807763 DQPGBOXWQGSAFK-AREMUKBSSA-N 427.544 4.721 30 10 IJEE C=CCn1c(SCc2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc2c1=O 1188169492 IUSGQMVFSMZENR-UHFFFAOYSA-N 432.299 4.546 30 10 IJEE Cc1cc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n(C)n1 1201257308 DEVXHVMLYNYMED-UHFFFAOYSA-N 429.402 4.733 30 10 IJEE CC[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1cc(C)c(N(C)C)cc1C#N 1219021659 CFLMYOMXVQPKFF-SFHVURJKSA-N 429.362 4.838 30 10 IJEE COc1ccc2ccccc2c1CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1255210693 GRILCVKBQCAYLL-UHFFFAOYSA-N 429.520 4.516 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)cc2C1=O 1264646478 AHZCIMRZFJYKJA-QFIPXVFZSA-N 430.891 4.641 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2ccc(C(=O)N3CCCC3)cc2)s1 1264945977 BKVNVVRWAUUWCO-UHFFFAOYSA-N 436.986 4.680 30 10 IJEE C#CCCOc1ccc(C(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1 1265508167 JUINASOSHKDTDU-NRFANRHFSA-N 444.497 4.615 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(C(F)(F)F)cc1 1266463763 XATHBEWBGHRMDB-YLJYHZDGSA-N 447.413 4.930 30 10 IJEE Cc1cc(NC(=O)COc2ccc(C#N)cc2)c(C(=O)N[C@@H](C)c2ccccc2)cc1F 1274507419 FDDDVDKTICMJDT-KRWDZBQOSA-N 431.467 4.514 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286382617 UGKXVAWPACOLNK-DLBZAZTESA-N 436.478 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[C@H]1CCCCO1 1286528349 XRPDDBNIPBSENB-ATIYNZHBSA-N 436.600 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C)[C@@H]1CC 1286565122 JDYHBZPRNPOMNL-KQZHTCIUSA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN(C)C1CCCC1 1286569704 BRVZICDXALOLMV-UHFFFAOYSA-N 433.604 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286668392 QPDYNBXSVKXEGG-XMSQKQJNSA-N 434.588 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1286670360 DYMHFDAFXWPCQP-OYRHEFFESA-N 443.680 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1c(C)noc1C 1286674574 GTBQXFVWZNGDSC-UHFFFAOYSA-N 434.544 4.572 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1286686799 KDABJTJKJWHYOG-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286690082 KSWKWDWDLMVNMH-ZJPYXAASSA-N 444.542 4.709 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1286710891 FRUBVEQCBQMLES-HXUWFJFHSA-N 434.588 4.596 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@@](C)(CC)O1 1286741421 HABVXJRWQDEMOP-JQYIIUTOSA-N 449.599 4.584 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 1286796962 QGQNBCOMRMZYMP-FGZHOGPDSA-N 440.588 4.527 30 10 IJEE C=CCC1(C(=O)N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)CCCCC1 1292671346 PQPQBVXJGKWKJO-UHFFFAOYSA-N 426.582 4.972 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1sc(C)nc1C 1300520505 GUMXFAYLRFAYNM-UHFFFAOYSA-N 431.609 4.631 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1c(C)sc(C)c1Br 1300554578 FMYHMXIVLYNHFQ-CQSZACIVSA-N 433.419 4.744 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1300829492 FEHICPWENSCBHI-CJNGLKHVSA-N 434.338 4.777 30 10 IJEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)CC(C)(C)C1 1300848282 CGCVGJGKWRBOBC-KBXCAEBGSA-N 447.377 4.572 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1300872173 FQEUPJQRWKMIIG-UFNITMFUSA-N 430.637 4.947 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@@](C)(CC)O1 1300915341 NNTOQFIKJOSDSD-NSXLHWASSA-N 426.561 4.541 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H](c1cccs1)N1CCCC1 1300918947 NIZDDPARMHZQDH-OAQYLSRUSA-N 436.629 4.565 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)C[C@H]1CCCO1 1300975532 WFTQAGBSVFTHHM-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)=C(C)C1 1300980182 FBXLIOTXYDTQJT-UHFFFAOYSA-N 440.588 4.880 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCc2nccs2)CC1 1301074730 ICEKHRMNTUZLSV-UHFFFAOYSA-N 439.585 4.598 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2OCC[C@H]2C)CC1 1301106022 PNAZKLMKYURCFB-LLGFUMIMSA-N 430.980 4.899 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1csc(C)c1 1301413628 YHNFEGBAABCNNG-UHFFFAOYSA-N 439.610 4.880 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301529151 HOJSNPIXSYPQFM-NQIIRXRSSA-N 434.588 4.652 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2ccccc2)C1 1301568627 VHBBNKCSBDBYBO-YTFSRNRJSA-N 438.616 4.611 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1C(C)C 1301595277 RMJNFUWAXBHTLK-FQEVSTJZSA-N 427.618 4.691 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(F)F)C1 1301597783 ZJIHPUGNABEXQN-HNNXBMFYSA-N 444.498 4.947 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CC=CCC1 1301611846 SBEWYRZHGJOVSN-RXVVDRJESA-N 426.586 4.502 30 10 IJEE C=C(CC(C)C)C(=O)N1CCOC[C@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1303966843 KFYWWOUFJBPDBH-VQTJNVASSA-N 428.573 4.745 30 10 IJEE C=CCn1c(SCc2cnc(Br)c(C)c2)nnc1-c1cccc(OC)c1 1307311830 DJYGAYHRGBUJRK-UHFFFAOYSA-N 431.359 4.898 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1C#N 1310458494 HCYZYNVJCAWPFZ-QGZVFWFLSA-N 441.919 4.571 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(C)C 1310842958 XAPXLFDMHZGBOA-IBGZPJMESA-N 435.494 4.711 30 10 IJEE C=CCC(C)(C)C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1349066409 ZVYODQMOIXCFEP-KAMYIIQDSA-N 427.353 4.748 30 10 IJEE CC(=O)[C@@H]1CC(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)=NN1c1ccccc1 1349542364 GOWSRYJBOAFHCS-KKSFZXQISA-N 448.592 4.933 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc2c(n1)OCCO2)c1ccc(C)c(C)c1 1351158582 PUOIWTSBKLWZEF-UHFFFAOYSA-N 430.504 4.881 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c(C(=O)OCC)c1C 1353746864 VIGRUYZVVXIZKE-JKSUJKDBSA-N 447.940 4.972 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C2CC2)ccc1F 1358875352 OCGUVDMZHFOCMH-CYBMUJFWSA-N 442.336 4.558 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1scnc1C 1359094291 ZDKLPJRQKGHIEZ-XLIONFOSSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)s1 1359096753 GLIIWLKGWGUFOE-PBHICJAKSA-N 437.407 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[S@@](=O)C(C)(C)C 1359107001 ABNMIVCOOSDAJB-BJLXPSRBSA-N 436.597 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC[C@@H](OC)C(F)(F)F 1359109853 RKSKPVACPYQMCU-LJQANCHMSA-N 433.478 4.863 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCc2ccccc2C1 1359113103 ZVWJZZJOILWMGP-HSZRJFAPSA-N 437.632 4.759 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(C)(C)C)C1 1359127226 LOOPZHRZYSJKSL-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OCC)C1 1359184024 AAOHXBQMUFXEKW-MRXNPFEDSA-N 436.398 4.643 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(F)cc(F)c1 1359192413 DWZHHYIYLJRERG-PXNSSMCTSA-N 434.531 4.519 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1359248317 IRLSVTAAKCQYAS-VQIMIIECSA-N 445.405 4.722 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCc1ccc(N(C)C)cc1 1359263099 PMSLGRKSRZTIJV-UHFFFAOYSA-N 444.608 4.903 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1361124616 GYALZSLYDHOPAP-INIZCTEOSA-N 441.503 4.860 30 10 IJEE C=CC[C@]1(C(=O)N2Cc3ccccc3N(C)C[C@H]2CC)CCCN1C(=O)OC(C)(C)C 1435463387 CRAYBHIYZIPNHU-CJFMBICVSA-N 427.589 4.589 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)nnc1-c1ccco1 1437408761 BTFGCHJXZXFZCS-HSZRJFAPSA-N 440.544 4.536 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 1440652171 QYVZNEGTDSZGLY-HSZRJFAPSA-N 433.017 4.942 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)Cc3ccc4cc(OC)ccc4c3)n[nH]2)c1C 1441017935 VVAJCDULEZAAAR-UHFFFAOYSA-N 429.524 4.510 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NCCN2CCc3sccc3C2)cc1Cl 1442248242 IEEWETXSRVIJQE-UHFFFAOYSA-N 437.952 4.854 30 10 IJEE C#CCOc1cccc(NC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)c1 1443946441 OGHUZIRNWPBSDG-UHFFFAOYSA-N 428.517 4.729 30 10 IJEE C=CC[C@@H](NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)C(=O)OCC 1447553576 RGMXOFIRVUGQPG-JOCHJYFZSA-N 432.476 4.904 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 1450322673 FBVPZGRYUZUXFZ-MRXNPFEDSA-N 435.355 4.837 30 10 IJEE C=CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)OCc1ccccc1 1459975336 YBOLRLJMIYSZHE-UHFFFAOYSA-N 428.536 4.914 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2C[C@H](C(=O)OC(C)(C)C)C2)cc1OCC 1461725999 ASJPGBRSSURAIU-WKILWMFISA-N 440.378 4.623 30 10 IJEE C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Sc1ccc(Br)cc1 1464914821 HURMVGOCXXVDQR-CQSZACIVSA-N 433.371 4.775 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1466183757 PYPQLAJFBNQQSC-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE C[C@H](NC(=O)NCc1ccc(OCC2CC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 1468519443 CGWQTFXRTMFDSW-SFHVURJKSA-N 426.520 4.969 30 10 IJEE C#CC[C@H](NC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1)c1ccccc1 1469447522 DVXJMPBQOSLVKF-GCJKJVERSA-N 440.385 4.602 30 10 IJEE C=CC1(CC(=O)N2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)CN(C(=O)OC(C)(C)C)C1 1470146374 IGGVVZPPMCSCRW-IBGZPJMESA-N 448.991 4.832 30 10 IJEE C#CCN(C(=O)NCC[C@H]1CCC(F)(F)C1)[C@H]1CCOc2ccc(Br)cc21 1471554354 LPYWJAIYDZTCBB-PBHICJAKSA-N 441.316 4.743 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)C2=O)cc1 1477824756 CGOHVSFYLMVHHW-FCHUYYIVSA-N 436.943 4.548 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)c1ccccn1 1507513555 AJUSJVUKFBHWPG-QZTJIDSGSA-N 437.975 4.902 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(Br)cs1 1507536313 NKNYGQHDCYTAAT-ZDUSSCGKSA-N 449.805 4.853 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCc1nc(C(C)(C)C)cs1 1507543526 QHDIINMOFYBEGF-GOSISDBHSA-N 437.613 4.620 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1507562157 WJBYHGVLTGSJPH-FQEVSTJZSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1nc(C)c(C)s1 1507679546 NWRISMZWCHTFEV-LJQANCHMSA-N 437.613 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1507795592 DTXLJXWYDDBZKK-SQMBMXPBSA-N 440.588 4.707 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CC(F)C1)c1ccccc1 1507855214 QVJFCJIUNFNYQP-UHFFFAOYSA-N 444.352 4.933 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(F)cn2)CC1 1507880814 JYMFZJNWGLNDFI-INIZCTEOSA-N 427.911 4.810 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCc2nc(C(F)(F)F)cs2)CC1 1507898331 XDAJKUHTQHSAFK-UHFFFAOYSA-N 437.491 4.967 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(C)C)CC1 1507942678 SZMOPPXZHWBAHK-UHFFFAOYSA-N 438.439 4.513 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1507961510 AHQJGXQZISXXBO-YADARESESA-N 447.583 4.837 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC1CCN(CCC)CC1 1507998768 DMLBMQPFUQFYSF-UHFFFAOYSA-N 432.616 4.732 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 1508005398 QLXZCNGBEGUNRL-UHFFFAOYSA-N 441.595 4.556 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC=CCC2)C1 1508113529 ZACZFCLUAXHDSQ-QZTJIDSGSA-N 443.389 4.845 30 10 IJEE N#CCC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCC(F)(F)F)CC1 1521136265 CNORIVROEWEPNQ-UHFFFAOYSA-N 443.477 4.808 30 10 IJEE C=CCN(C(=O)/C=C\c1ccccc1OC(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1522958339 DFVCVIZKZGKKBG-HMZRMUTASA-N 447.453 4.787 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 1523486346 LUAXZZRDTGAOKM-NRFANRHFSA-N 442.515 4.841 30 10 IJEE C=CCOc1cccc(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 1526632625 RPIDROAUBUVKCO-UHFFFAOYSA-N 443.425 4.894 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 1528060848 JMGOSXLQIMCSQZ-SFTDATJTSA-N 440.996 4.643 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)O[C@@H](Cc3ccc(Cl)cc3)C(F)(F)F)C2)c(F)c1 1530956988 HJJPVRSMIDVERM-BEFAXECRSA-N 440.824 4.894 30 10 IJEE C#C[C@@H](NC(=O)CCc1ccc(Br)c(C)c1)c1ccc(Br)cc1 1535484055 VTRFMVAKZICSES-GOSISDBHSA-N 435.159 4.943 30 10 IJEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc2Cl)CC1 1537680910 GLRKLTVVOYLUPE-CQSZACIVSA-N 447.428 4.937 30 10 IJEE Cc1ccc(NC(=O)c2ccccc2CC#N)cc1S(=O)(=O)Nc1ccc(Cl)cc1 1538478674 HYGKMQQRCRPPQM-UHFFFAOYSA-N 439.924 4.768 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1ccc(C)cc1 1538973459 MQOZNJSABKNGEF-CVEARBPZSA-N 426.362 4.606 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@@H]1CCCCO1 1539028975 FNBOOOBJZQKVEY-UNMCSNQZSA-N 438.616 4.962 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCC[C@@H]21 1539065503 HBQILHUJBUIZOB-NJYVYQBISA-N 441.620 4.575 30 10 IJEE C=CCOc1ccc(OC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1 1539143013 WFQHBJBJOYCORA-GOSISDBHSA-N 437.517 4.510 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCSC1(C)C 1539239364 KWDPRMSTVYYEJT-ZWKOTPCHSA-N 443.016 4.676 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(CC)C(C)C 1539578640 AVAMRZNEKQMMNE-INIZCTEOSA-N 437.382 4.960 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1539643536 MNABWTJKWHMHHR-YWNPBTLJSA-N 445.007 4.974 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](CCC)C1 1539711895 GCESUOPHDNTYCX-FQEVSTJZSA-N 432.996 4.833 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1539778777 HJERCCMVKCHGHZ-UNMCSNQZSA-N 428.024 4.885 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1Cc2ccc(Br)cc2C1 1539915504 BIQLQGBLLPIKRO-MRXNPFEDSA-N 431.378 4.667 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCCCCC1 1539945919 WAIZIGOAIUJIAX-UHFFFAOYSA-N 440.588 4.942 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)C(F)(F)F)cc1 1540107060 QHHVXIMXWSOSGI-YWZLYKJASA-N 435.467 4.883 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC(C)C 1540146877 KWPWTBUZXMNITJ-FQEVSTJZSA-N 438.597 4.872 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccc(CCC)cc1)c1cccs1)C(=O)OC(C)(C)C 1540585066 WSGIKELAYCBRQU-QFIPXVFZSA-N 426.582 4.777 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)C1CCCCC1 1540865037 SMAHVEBCADNVKW-QGZVFWFLSA-N 441.645 4.593 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1540885814 PITXTEZJUSJXJY-NYUBLWNDSA-N 430.980 4.583 30 10 IJEE Cc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(C)(C)C 1542722014 GTEHAWXZRRDDGG-UHFFFAOYSA-N 443.599 4.673 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)s1 1542833666 DBTYTWNJMFLMLB-STQMWFEESA-N 432.956 4.902 30 10 IJEE CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1544401061 ICNIZVKRFJYDIY-RPBOFIJWSA-N 432.564 4.735 30 10 IJEE C#C[C@H](NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1)c1ccc(Br)cc1 1556782100 WNTLVXGPJPGZFV-SFHVURJKSA-N 446.366 4.622 30 10 IJEE C#CCC1(NCC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)CCCCC1 1560170755 KYZZWHVWNOVGEG-VWLOTQADSA-N 429.564 4.689 30 10 IJEE O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)N1CC(O)(C(F)(F)F)C1 1562267055 FHJRSBGNWDJDNX-UHFFFAOYSA-N 438.299 4.778 30 10 IJEE C=CCSCCNC(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1563255661 UDRFHIZZDGNRMH-UHFFFAOYSA-N 444.260 4.659 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C)c1ccc(Br)cc1 1583565350 GWXTWCCZFFJGKP-QZTJIDSGSA-N 449.389 4.665 30 10 IJEE C#C[C@H](NC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2)C(C)(C)C 1583584527 BRHNWPXWGXVIEA-ZDUSSCGKSA-N 441.391 4.539 30 10 IJEE N#Cc1cc(NC(=O)Cc2ccc(Cl)cc2Br)ccc1Br 1584021752 HQBOPBVPYOTLPM-UHFFFAOYSA-N 428.511 4.918 30 10 IJEE C=CC[C@]1(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)CCCN1C(=O)OC(C)(C)C 1584212972 CVEJWQPKKBDZOX-RUZDIDTESA-N 439.556 4.655 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nccc3c([N+](=O)[O-])cccc23)s1 1585847254 KPGUVKALGQDVPE-UHFFFAOYSA-N 434.930 4.934 30 10 IJEE C=CCCOCCCCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1585939594 KIJMBCUOZXDWHC-FGZHOGPDSA-N 448.579 4.798 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1CCC 1587593945 QGONEPHKCCDXKT-SJLPKXTDSA-N 434.415 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(SC)CCC1 1587667546 KARVVMSWKLIWBZ-SFHVURJKSA-N 426.630 4.898 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCC(C)(C)C1 1589036259 AXUOLYXRWLSACC-UHFFFAOYSA-N 442.629 4.735 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(Cc1ccco1)C(C)C 1589047653 DMVQEUOPOZEXAL-UHFFFAOYSA-N 446.580 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCSC1(C)C 1589242766 IWJRQSASXJYVMJ-NBGIEHNGSA-N 438.641 4.998 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1589347810 WNICAUBRZABXMX-SFHVURJKSA-N 449.393 4.646 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cscn1 1589506552 XWACINGXJYZUCH-VQIMIIECSA-N 429.977 4.673 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1594437423 LVEVXAWPOWCZQD-OAQYLSRUSA-N 440.588 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1CC 1594491981 PZGSXKQXUWRDIJ-SFHVURJKSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@@H](C)C1 1595148909 CAFSONBSRHDUAP-UXHICEINSA-N 436.629 4.715 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)Cc1cccs1 1595335636 XUAIEYOREJWUEM-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)cc1 1595639636 FSKWQQCEDRIGGY-AUSIDOKSSA-N 448.615 4.768 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1595659219 VOFXIQNRBPXXPX-OFNKIYASSA-N 431.584 4.892 30 10 IJEE C=CCC(CC=C)C(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1611109730 FDQRKWLSMFPXBL-RTWAWAEBSA-N 440.584 4.911 30 10 IJEE CC(C)[C@@H]1CCc2nc(NC(=O)COc3cccc(Br)c3C#N)sc2C1 1616744560 FFKXHZGBHBKNMZ-GFCCVEGCSA-N 434.359 4.556 30 10 IJEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1617344471 GGXOPHYJNRTDHG-QHCPKHFHSA-N 434.536 4.607 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1)C(C)C 1628517485 UMELAOSMEXNKHF-LEWJYISDSA-N 434.422 4.994 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 1633491883 BSNMQMXXVQBOCR-DEOSSOPVSA-N 439.515 4.568 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)c(F)c1 1634442054 SYAFLAHNWXVCFV-IBGZPJMESA-N 435.515 4.625 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(OC)c(OC)cc2c1 1640934602 OTPJTMLMYHRTQX-KRWDZBQOSA-N 434.920 4.831 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H]3c3ccc(Br)c(F)c3)C2=O)cc1 1642905527 BNGJZGWDTJUSBY-LEWJYISDSA-N 442.332 4.792 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccccc2)c1 1644510642 AUGNPSNJFROSQZ-SFHVURJKSA-N 431.920 4.526 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1 1647843328 VBXBLUDIEFNHQG-HXUWFJFHSA-N 429.383 4.626 30 10 IJEE C[C@@H](CN1CCN(c2c(C#N)cnc3ccccc23)CC1)c1cccc(Br)c1 1651929278 GYVHBGLWXCGSES-KRWDZBQOSA-N 435.369 4.795 30 10 IJEE C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1653873519 DPVHGVTVWYMCMQ-CQSZACIVSA-N 440.334 4.609 30 10 IJEE C=CCn1c(SCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc2ccccc2c1=O 1656040157 PJXPQJJROZOLRC-QGZVFWFLSA-N 429.586 4.712 30 10 IJEE C=CCn1c(SCCN2C[C@@H](C)O[C@H](C)C2)nc2cc(-c3ccccc3)sc2c1=O 1656137375 KEUDGDJTBYQAJT-IAGOWNOFSA-N 441.622 4.512 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1)c1ccc(F)cc1 1658204160 GFOUBRAIBNDTBB-XMMPIXPASA-N 426.447 4.508 30 10 IJEE C=CCOC[C@H](NCc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1)C(=O)OC 1659599079 NUUGCANBSHDFNM-SFHVURJKSA-N 428.287 4.759 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC(c2nccc(-c3ccccc3OC)n2)CC1 1660837937 ZLHMMKLHNCSABB-UHFFFAOYSA-N 442.519 4.576 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCc1ccc2c(c1)OCCO2 1662572984 CWLRXBVRHRBNEO-UHFFFAOYSA-N 447.329 4.539 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1668911975 SBFVRLDOQVGZHA-URXFXBBRSA-N 440.609 4.937 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 1669072287 CSMHJVOUFNMBBQ-LJQANCHMSA-N 433.577 4.980 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(OC)c(Cl)c1 1672214231 HTTDSDHAVDKJLL-UHFFFAOYSA-N 425.710 4.998 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 1673643076 BHDWIEHTHQVYIY-LLVKDONJSA-N 432.311 4.668 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 1676952857 BYBBFVNPPCXMGU-UHFFFAOYSA-N 439.972 4.931 30 10 IJEE C#C[C@H]1CCCN(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 1677902368 GTVVTLSRRACEFZ-IBGZPJMESA-N 432.955 4.790 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 1678432809 NVIBDTOSDMEMRU-MRXNPFEDSA-N 433.320 4.920 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cnc(Br)cn1)c1ccc(C(F)(F)F)cc1 1679304330 IPECRHWPPWANJH-HNNXBMFYSA-N 443.267 4.765 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2n1 1680698176 CBXXTYXSGXYYFR-LJQANCHMSA-N 429.565 4.625 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)C(F)(F)F 1689841728 MYGMPGWWKOAXJH-OAHLLOKOSA-N 438.494 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690200283 QTFVLUYZPLUQTL-XLGIIRLISA-N 431.584 4.650 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1690451686 NEKGBELVPVUJSM-UHFFFAOYSA-N 434.588 4.735 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1690453766 INBLKAFRPCPUEC-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1690530601 RRXYAVMHBFZQLM-GOSISDBHSA-N 439.482 4.877 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1CCC[C@H](C)C1)C1CC1 1690553935 NGTXUFLONWGSCC-MDNUFGMLSA-N 443.680 4.864 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCc1nccs1 1690571883 MEZMXNWHCGZLNX-UHFFFAOYSA-N 439.585 4.961 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC=CO1 1690578981 CHPCFBVZJUAYPF-FQEVSTJZSA-N 436.581 4.824 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1690599070 LOFNKVCVAFDHMX-RDPSFJRHSA-N 448.640 4.587 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(F)cn1 1690601341 YQFBWEQJYWOYIL-UHFFFAOYSA-N 435.547 4.915 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(C3CCCCC3)CC2)cc1 1690679550 YTYAYVHURZRRRU-OAQYLSRUSA-N 437.632 4.859 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)Cc2cccs2)C1 1690694360 NBVALAIENDLEEE-RBUKOAKNSA-N 438.597 4.675 30 10 IJEE COc1cc(C)cc(Cn2c([C@H]3CCCCO3)nnc2N(CCC#N)CCC(C)C)c1 1697248943 CJEGUKBLZJVRHS-JOCHJYFZSA-N 425.577 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)Cc1cccs1 1705489118 KDORKFNXFZMLIU-RTBURBONSA-N 430.581 4.529 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1705519729 USCXYZXMQMHGAV-HSZRJFAPSA-N 433.644 4.915 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1705675652 WTMJMKJIOSWKRQ-RUZDIDTESA-N 440.035 4.779 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705721905 ICDUYQZDFXQSKM-UHFFFAOYSA-N 445.970 4.685 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccccc2OC)C1 1705738194 PFZNGCBYMYLMCS-FQEVSTJZSA-N 438.597 4.526 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C)nc1)C1CC1 1705851103 UXVIBNSFUFQTBD-UHFFFAOYSA-N 442.336 4.753 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1C1CCCCC1 1705874945 BAFHDTSKGJZONO-JOCHJYFZSA-N 425.646 4.906 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1705886455 XGVKEEOKHXZDIP-QGZVFWFLSA-N 426.362 4.534 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@](C)(O)c1ccsc1 1722417838 VUCICNKTBVRVIJ-SBUREZEXSA-N 426.561 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H]1N(C)CCCC1(C)C 1722517793 YXMSHYVYQPYNTH-NRFANRHFSA-N 429.584 4.519 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722555694 FJLDWICFTFXKPN-UHFFFAOYSA-N 440.979 4.776 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1722604755 KAGQKWAENKEOKL-NRFANRHFSA-N 437.632 4.869 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722610873 FQBMZMXHQZNNPE-QGZVFWFLSA-N 426.952 4.715 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@H]1CC 1722617397 JJRDHGSOKUENOX-XUVXKRRUSA-N 431.625 4.984 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC1CCC(OC)CC1 1722673271 MXJYMJJBBVBFJE-VHYCJAOWSA-N 438.616 4.960 30 10 IJEE C=CCn1c(N(C)Cc2c(F)cccc2Cl)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722689452 RGAYAFOXZIXRFH-GASCZTMLSA-N 449.958 4.664 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)Cc1nccs1 1722708371 RCHHSZIVNLYDDN-UHFFFAOYSA-N 437.594 4.636 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCCC2(F)F)C1 1722721679 KRFNVDVZWWYSLA-QUCCMNQESA-N 434.506 4.615 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722740695 RDYMMBVSRFWMMQ-HXUWFJFHSA-N 431.694 4.946 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(OC)C1CC1 1740534373 YJZZUPMOBAXJJG-RHGYRFJNSA-N 445.007 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](OC)C(C)(C)C 1740542571 ACKZTOALMYVTJF-UGKGYDQZSA-N 426.605 4.889 30 10 IJEE C#CCCCCn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740578294 GICDWTKPLWTXGF-AQNXPRMDSA-N 443.636 4.725 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740594160 CYNMYXDHNUQHAL-DENIHFKCSA-N 431.411 4.887 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC1C[C@@H](C)O[C@H](C)C1 1740678657 GRUGCJXATCOUMX-WOJBJXKFSA-N 438.591 4.993 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CC(O)(CCC)CCC 1740733801 RECLVMPMPPJXAW-RUZDIDTESA-N 433.600 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C(C)(C)C)no1 1740777301 UHQOIISAHOKWGI-UYAOXDASSA-N 429.609 4.933 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 1740816275 AFQYDTGDCSRMBG-SFHVURJKSA-N 449.958 4.878 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)COC)CC1 1740836845 UAVRSOSRBFGNGI-UHFFFAOYSA-N 433.394 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740846815 MUAWUQYTHDDLHJ-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)(C)CC1 1740848901 UHDQWMWIPSNJSB-UHFFFAOYSA-N 437.636 4.681 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(O)c1 1740860643 KTKLKFGUPFLKQO-UHFFFAOYSA-N 427.936 4.700 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCOCC1 1740866526 GWDKZKKYXKEWJZ-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1740875927 ACPZGZWQTOGDBO-OPYAIIAOSA-N 428.602 4.867 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(Br)c1 1740886098 WBKRMPXNFVPUNA-IBGZPJMESA-N 449.393 4.511 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CC)C1 1740888342 IVCPWVGCOOPHOV-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1ccccn1 1740894301 PBRQURCPLZQQTP-UHFFFAOYSA-N 432.753 4.621 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C)C(C)C 1740927062 QMYLNEKQXSPGCM-KNQAVFIVSA-N 444.023 4.522 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC1CCCCC1 1741002677 KIHJOGZQICSFTD-OAQYLSRUSA-N 428.602 4.726 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1748657780 JGJHBMSLWVIRDK-GREBRCKQSA-N 431.584 4.793 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2OCCC2(C)C)CC1 1749296108 IICBGNQXKLHCJH-SFHVURJKSA-N 431.378 4.679 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCS[C@H](C(C)C)C1)c1ccccc1 1749386037 YCGNALDUFIJQTP-VSKRKVRLSA-N 426.630 4.720 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749420452 FVIWPFPXOYYOTE-HXUWFJFHSA-N 446.599 4.591 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(F)cn1)C1CC1 1749508149 KAODTYLMFOBLLD-HNNXBMFYSA-N 427.911 4.809 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1749700608 LRIJTTBJNSBZLN-YQVWRLOYSA-N 448.970 4.724 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)s1 1750305533 COBGUEAAAKAHJR-MRXNPFEDSA-N 441.626 4.725 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1760298416 HHEMVSMMWZCZOO-YMVVMYQSSA-N 436.600 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)c1ccsc1 1760331919 QHVBEEYWDHCKMK-QFIPXVFZSA-N 447.004 4.979 30 10 IJEE C=C(C)Cn1c(N(Cc2cccc(C)c2)Cc2ccco2)nnc1[C@@]1(OCC)CCOC1 1760349523 ODALEBAHUFAPNF-RUZDIDTESA-N 436.556 4.615 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSC(C)(C)C1 1760351493 HVSLFTWRQOZVHH-FQEVSTJZSA-N 444.645 4.959 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1760414646 YEHDJVWOAAMCPK-UHFFFAOYSA-N 431.588 4.713 30 10 IJEE C=CCCOCCn1c(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)nnc1C(C)(C)C 1760453128 OSUPXYWWPIKEOM-SFHVURJKSA-N 443.661 4.888 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1Cc1cnn2ccccc12 1760485169 UMCNZDUBAOQFTP-UHFFFAOYSA-N 432.547 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760498208 JBUBWSCZSPSVGT-CJFMBICVSA-N 427.637 4.914 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2ccco2)CC1 1762947681 GAJMCNYONUGYQC-UXHICEINSA-N 432.572 4.728 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2C)C1(C)C 1767665864 FOPOVLUDSHDSBY-SFTDATJTSA-N 435.597 4.875 30 10 IJEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 1768785080 DSAXVUSTXROVCI-RBBKRZOGSA-N 437.588 4.535 30 10 IJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)Oc1cccnc1NC(=O)c1cccc(C#N)c1 1858752811 BSIFODUGNGNEBP-PGCKSFNISA-N 449.551 4.977 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2ccc3nc(-c4cccc(Cl)c4)oc3c2)c1C#N 1859741958 JNRYCEXMXNAABW-UHFFFAOYSA-N 435.823 4.960 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(F)c(F)c2F)ccc1OCc1ccccc1 1860728200 BFQKCYBOUDSEPA-YRNVUSSQSA-N 441.405 4.913 30 10 IJEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1862237832 RDZIKKQGIOGMOX-MRXNPFEDSA-N 434.380 4.529 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OC)c(O)c1 1862421174 WDLIYVQVAAVTEL-NRFANRHFSA-N 445.462 4.838 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1OC 1862572083 VWLYGJBZIQONIW-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594536 FRAKWAKANKKWJU-NRFANRHFSA-N 439.389 4.588 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccccc2)cc1F 1862636479 IIFHQZADERKGJR-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862682716 ROTZVEYAWZBYDR-QFIPXVFZSA-N 439.483 4.841 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1OC 1862717118 XAZNOAUIEIOMMH-HSZRJFAPSA-N 429.472 4.598 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1862760322 LYBRAAZTWDHEBY-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(Cl)c3)=C(c3ccc(F)cc3)C2=O)c1 1862768799 GQIISZLDTJEMNS-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1 1863296806 CHASOSJMTVKONW-INIZCTEOSA-N 441.462 4.659 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863367195 RFNZTXWSTGURGK-UHFFFAOYSA-N 446.453 4.922 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H](C)O)=C(c2ccc(OCCC)cc2)C1=O 1863683141 ANXTVLWOTZTWIX-FQEVSTJZSA-N 444.616 4.666 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c1 1870143108 XGKAUZGHPTVIPU-UHFFFAOYSA-N 446.599 4.839 30 10 IJEE CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(C#N)nnn1-c1cc(Cl)cc(Cl)c1 1870145381 XNWMFTJDBLHYEW-CYBMUJFWSA-N 444.322 4.975 30 10 IJEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CSc1nccn1C 1870163355 KOWQDPRZGKVSBA-UHFFFAOYSA-N 436.364 4.946 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(OCCC(=O)OC)c3C)C2=O)c2cc(OC)ccc21 1871440145 ZMCAGOPQKMRJMR-UUYOSTAYSA-N 435.476 4.536 30 10 IJEE C=CCN=c1nc(Nc2ccc(N(CC)CC)cc2)[nH]c(N(CCCC)CCCC)n1 1871698232 HGOVCAOONFXXRJ-UHFFFAOYSA-N 425.625 4.888 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871754383 VENCDVFLRRHRST-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1871971135 AZCMKGNGFRBCNX-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1872282805 VAIBGUKRLSGDNC-KXBFYZLASA-N 432.989 4.840 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccccc1 1872528810 JBVZVXGPOPXECR-JOCHJYFZSA-N 446.638 4.631 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872562657 WCBYWOZDWPOZDJ-XMMPIXPASA-N 434.561 4.860 30 10 IJEE COc1ccc(-c2nc(C3=C(N)N(c4cccc(Cl)c4)CC3=O)sc2C)c(OC)c1 1873529737 JPRZKJZXFSGRBI-UHFFFAOYSA-N 441.940 4.506 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(OCC)cc1 1874238784 JQCKDIXDWOBJSK-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874307039 CPCFAHZEQNLVNZ-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(OC)c1OCC 1874362165 QVGKSCGWWYGDBH-KOEQRZSOSA-N 436.581 4.939 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874385837 LLFPFMBGSPRRBP-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874400209 LISNBXPZGDMOGR-KWRYHKOTSA-N 448.470 4.596 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2)c1 1874430756 WKDXJVWQEKTUCH-WPWMEQJKSA-N 441.560 4.544 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)c(C)c1 1874469214 SSILTIFQJPNWRQ-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cccc(F)c1 1874475116 KDEFEBLOSJHZFO-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE CCCCOc1c(Br)cc(/C=N/n2c(CCC)nnc2SC)cc1OC 1874505642 RFTGYJDEFPOMNH-UDWIEESQSA-N 441.395 4.785 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)cc1OC 1874574030 RALRLZBEUDXSBQ-CSKARUKUSA-N 445.943 4.809 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 1874602527 QYUVSPOLRUFKCA-ZRDIBKRKSA-N 432.432 4.517 30 10 IJEE CC1(C)C[C@H]([C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1912178541 NKYBLFGCTNAWNP-CVEARBPZSA-N 436.557 4.852 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 1989962665 FQBUHRDXPWZDFP-KBPBESRZSA-N 435.487 4.714 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2037745655 KBTQRXIBSCISMH-DNQXCXABSA-N 449.592 4.618 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 2041554276 WHAGJBHOHKAZHV-AMZDPNTKSA-N 446.632 4.526 30 10 IJEE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C(C)(C)C)c(I)c1C#N 2079943487 CIUABYRYKZBCEY-KRWDZBQOSA-N 437.325 4.880 30 10 IJEE CN(Cc1ccccc1)C1(CNCc2occc2B2OC(C)(C)C(C)(C)O2)CCCCC1 2101329406 QZONQCXKBXGQRP-UHFFFAOYSA-N 438.421 4.503 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)C[C@@H]1c1ccccc1 2129043832 OLVDYRNZOIWKAA-NHCUHLMSSA-N 444.425 4.709 30 10 IJEE CC(C)(C)OC(=O)NCCN(c1ccc(C#N)c(Br)c1F)C1CCCC1 2130097265 PTPIQPHTXGVMIP-UHFFFAOYSA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c(F)c1 2132679478 XVDPOUIYEQTXOD-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(OC)c1Br 2142369459 NMSUGYLHOHPBDS-YJBOKZPZSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3ccc(C#N)c(Br)c3F)CCC[C@H]2C1 2162340767 CHWJTPKXMZNKHO-ZNMIVQPWSA-N 438.341 4.907 30 10 IJEE COC[C@]1(CNc2ccc(C#N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2162417315 BBXSTNSWEZMVEQ-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2C#N)C[C@@H]1CC(F)(F)F 2176100781 LMQQHDYGVPUERF-AWEZNQCLSA-N 448.283 4.699 30 10 IJEE C=CC[C@@H]1CCCCN(C(=O)c2ccc(Br)cc2I)C1 2207266858 CKQSNWDIYMDSEG-GFCCVEGCSA-N 448.142 4.872 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CCCNC(=O)OCc1ccccc1 2220460836 ZKOMLWSYXSQXQG-OAQYLSRUSA-N 443.385 4.875 30 10 IJEE Cc1cnc(N[C@H]2CCCCCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232271840 VZYNWGJDLPDFHH-QFIPXVFZSA-N 435.421 4.546 30 10 IJEE CC[C@@]1([C@@H](C#Cc2ccccc2Br)NC)CCCCN1C(=O)OC(C)(C)C 2235722201 CFQSRHSTIBLRRY-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2235747738 SGPLNINHMFZMLG-HLNWXESRSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2cc(Br)cc(F)c2C#N)(C(F)F)CC1 2235755170 WQWKMAQMBJMZFK-UHFFFAOYSA-N 448.283 4.907 30 10 IJEE CC1(C)OB(c2ccc(O)c(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 2282968584 WPUVFPRQVJKCTB-UHFFFAOYSA-N 445.324 4.523 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 2296132664 BVHHMHSSOLMHJK-CJAUYULYSA-N 439.511 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(N)(C#Cc3ccc(Br)cc3)CC2)C1 2296226389 FTPBAKITQVUUHU-UHFFFAOYSA-N 433.390 4.699 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CC(C)(C)C1 2296292400 YAJQPUKTZDVVHP-SFHVURJKSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](CC)CN1C(=O)OC(C)(C)C 2296296872 SPOGTJUTHYTUQD-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CC1(C)CC[C@](N)(C#Cc2ccc(Br)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 2296303229 SQOQJVOQJDTTTF-VGOFRKELSA-N 435.406 4.849 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2296867435 PBMOLSBZWRBXKQ-UHFFFAOYSA-N 446.455 4.686 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C2CC2)cc(Cl)c1O 2320853576 GPLFLKGMGZQQPH-UHFFFAOYSA-N 432.908 4.837 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)ccc1O 2320886469 NWMLRZMDSNWOEZ-UHFFFAOYSA-N 429.889 4.597 30 10 IJEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCOC)C4)c2ccccc21 2322016616 PHDCJOVEMUAVSV-UHFFFAOYSA-N 432.520 4.774 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCCO)c(Br)c2)c(OCC)c1 2324493971 CDTCBZCWIUDKIP-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE CCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(OC)c(OC)cc1OC 2325610190 TVJQXBGRMWPCAG-UHFFFAOYSA-N 446.960 4.694 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COCc3ccccc3)c2)cc1 2325718635 NPISSMBIXWCURO-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2325740103 WHUVBCJSIPMRNR-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2328790114 YNIFEPADFXGFNZ-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329351788 VMQMUHQAVHQFJO-UHFFFAOYSA-N 444.944 4.523 30 10 IJEE CCCOc1cccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCCCO)c1 2329453190 TYTWYTFMQWZWRX-UHFFFAOYSA-N 438.597 4.631 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N=Cc2ccccc2)o1 2329981365 AAIKYNUDOKOQRU-UHFFFAOYSA-N 446.532 4.731 30 10 IJEE CCN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2330451883 IPVCHJPRERMEEH-UHFFFAOYSA-N 449.624 4.835 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccs1 2330587593 OQOJPYKGFBCAPK-UHFFFAOYSA-N 445.639 4.800 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1C1CCC1 2331545904 YDOZJDDPMBOKCH-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C(C)C)cc1 2331673610 CSWLCLVGWSPTLX-UHFFFAOYSA-N 437.569 4.803 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2Cc2cccc(C)c2)c2ccccc2)cc1 2332148792 IARDJZCYNNWRRL-UHFFFAOYSA-N 449.514 4.694 30 10 IJEE CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582170 PIVLSTVLDVCCNZ-HSZRJFAPSA-N 433.405 4.685 30 10 IJEE CC#CCN(C[C@H](NCCC)c1ccc(Br)c(OC)c1)C(=O)OC(C)(C)C 2363127083 XTKLFJWEFBQCSA-SFHVURJKSA-N 439.394 4.759 30 10 IJEE CCN[C@@H](C#Cc1nc(CC)cs1)c1scc(Br)c1Br 2363992549 QQGBOBCAGYCXJL-NSHDSACASA-N 434.222 4.994 30 10 IJEE C=C([C@H](NCCC)[C@]1(O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1)[Si](C)(C)C 2370882578 GDFMVIJEOXCEHR-GPXNEJASSA-N 432.681 4.586 30 10 IJEE COc1ccccc1/C=C/C=C1/Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2C1=O 2424048 CXVFXJOCQFHYNI-KIFSKBGMSA-N 443.411 4.995 30 10 IJEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1C 3042803 JBOMJZODCBNALW-QYQHSDTDSA-N 432.524 4.680 30 10 IJEE Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 11167510 VGWFBWHIVMLMFC-UHFFFAOYSA-O 426.512 4.678 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2cccc(C)c2C)N2CCc3ccccc3C2)n1 14159966 FFNZGKFTUOUAFY-UHFFFAOYSA-N 444.608 4.933 30 10 IJEE C=CCN(C(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1ccccc1 19363714 GKIFVRJGLRHNAD-UHFFFAOYSA-N 433.581 4.569 30 10 IJEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 39913392 IKYWKWYWHKEIME-HXUWFJFHSA-N 425.868 4.503 30 10 IJEE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/Nc2cccc(C(F)(F)F)c2)CCC3)CC1 40824023 ZEHWWAYDUCLFQL-MTDXEUNCSA-N 448.489 4.537 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 59789203 MPWJSGOQOXILDZ-UHFFFAOYSA-N 443.916 4.814 30 10 IJEE C=CC/N=C\C1=C(Sc2ccccc2)C2=C(CC1)[C@H](C(=O)OCC)[C@@H](NC(C)=O)S2 100217939 YHDZICAALBNHPU-JZAQNJGNSA-N 442.606 4.726 30 10 IJEE COc1cccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)c1 102729734 NGSKNEKJAZTDRV-FEYWKWKCSA-N 444.487 4.504 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(OC)c2)cc1 169939146 FOOJEOXFXLTJQZ-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccs2)cc1 169982344 ULPVEKILLUKQOJ-HSZRJFAPSA-N 432.545 4.916 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccncc2)cc1Cl 170021852 PEEAOKIROPLGNY-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170197414 VVTAPIALQCRABT-JOCHJYFZSA-N 428.419 4.745 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccncc1 170210955 DUXVCUKJTSDXSN-LJQANCHMSA-N 443.341 4.921 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)ccc1OC(C)C 170230182 WDOLVTAWMHFWSG-NFBKMPQASA-N 435.520 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1C(C)C 170231187 MHYPUIOGECSADZ-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1F 170247481 LPMSTPMUASSAMX-QHCPKHFHSA-N 437.511 4.708 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccccc1F 170252768 JLNQIVPLTFJRRJ-GOSISDBHSA-N 432.289 4.885 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccco2)c1 170297319 GXABVOOLKWEPTI-NRFANRHFSA-N 443.459 4.726 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCOC(C)C)o1 170298777 SERFGYUONHEARF-JOCHJYFZSA-N 441.524 4.687 30 10 IJEE CC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)c4ccncc4)[C@@H]3c3ccco3)cc2)CC1 170400227 MNOPKGAWELHJMV-QHCPKHFHSA-N 443.503 4.694 30 10 IJEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 170432207 QKNSZAIKGIRIHP-FQEVSTJZSA-N 440.496 4.959 30 10 IJEE COc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccccc2C)cc(OC)c1OC 170436900 NWMFGBHJFFPHAJ-JOCHJYFZSA-N 439.508 4.536 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 170444137 JMWCHWDPTMBXEM-HXUWFJFHSA-N 442.943 4.930 30 10 IJEE Cc1cc(-n2ncc(C#N)c2Nc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)nc2ccccc12 170547587 LBIZOXAWEPWVRJ-UHFFFAOYSA-N 448.446 4.709 30 10 IJEE COc1ccc(-c2csc(C3=C(O)CN(N=Cc4c[nH]c5ccccc45)C3=N)n2)cc1 254762397 QKXLGVQPBAAMJA-UHFFFAOYSA-N 429.505 4.896 30 10 IJEE CCCCCOc1ccc(N2C(=O)C[C@@H](Sc3nc(C)c(C)c(C)c3C#N)C2=O)cc1 261526946 RBOIAEAUGYAXRM-OAQYLSRUSA-N 437.565 4.872 30 10 IJEE CC(C)(C)[C@H]1CSC(=Nc2cc(I)ccc2Br)N1 393997384 WKDAYXUWNSPFFV-LLVKDONJSA-N 439.160 4.792 30 10 IJEE C=CCn1c(SC[C@@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1ccc(OC)cc1 443459961 IJOWMPBSFQPPHS-KRWDZBQOSA-N 449.498 4.854 30 10 IJEE COc1cccc(-c2ccc(CNC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2)c1 466120953 GDRAHIDPSBHTKL-UHFFFAOYSA-N 440.547 4.656 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 502777040 KYFCBZWAFZRVHO-OAHLLOKOSA-N 434.477 4.576 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 508860967 AHBOBZCOKVNGNH-YCRPNKLZSA-N 442.922 4.899 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)cc1 526658712 YVALPKLYXJOGBO-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE COc1cc(/C=N\n2cnnc2SCc2cccc(C)c2)cc(Br)c1OC 526807783 BYIZNJQKKKQGLM-YVNNLAQVSA-N 447.358 4.541 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526811314 HSBJDTILFUDCNS-UUYOSTAYSA-N 445.932 4.975 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 526828768 PQXIIVZSRKLDOR-JJFYIABZSA-N 431.905 4.803 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 555254170 BCUWIQPEZUQDLU-FCHUYYIVSA-N 434.588 4.957 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(OC2CCCCC2)CC1 583506755 ZCGBCWFRHOAYRI-UHFFFAOYSA-N 425.533 4.748 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 586116364 PUUJWBWJKCAVKX-UHFFFAOYSA-N 430.451 4.968 30 10 IJEE C=CCOc1ccc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC 617140497 LWKQQFVHAJLNMT-UHFFFAOYSA-N 448.485 4.673 30 10 IJEE Cc1cnn(-c2ccc(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc2)c1 787051930 VXZBXRIVBZQAHT-LIRRHRJNSA-N 441.318 4.687 30 10 IJEE Cc1cc(NC(=O)c2cccnc2)ccc1OC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 799466758 OVTUJXCSJGHHOG-QHCPKHFHSA-N 429.476 4.523 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@H](C)c1cccs1 812187621 ATDZQGYVFWGSPB-QGZVFWFLSA-N 425.558 4.540 30 10 IJEE O=C(CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)NC[C@H]1CCCO1 1084323002 ZUOYCBBMDUCWRN-QGZVFWFLSA-N 429.542 4.573 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Br)c3)n2CC(=C)C)C1 1116952966 FJYAHMRIWWUMIX-APWZRJJASA-N 447.377 4.538 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2cc(Cl)cc3c2OCC3)nnc1-c1ccco1 1127908474 SKDNGBWLANHECC-UHFFFAOYSA-N 445.928 4.538 30 10 IJEE CC(C)(C)CN(CCC#N)C(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1136699550 BWJFUYHDXKQHEZ-IBGZPJMESA-N 427.545 4.657 30 10 IJEE C#CCCCCNC(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1150711321 KABHNQKCQGIRCN-VWLOTQADSA-N 432.564 4.956 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCOCc1ccc(Cl)cc1Cl 1152929083 BOUXHCCGRHXGRJ-UHFFFAOYSA-N 446.334 4.691 30 10 IJEE C=CCNc1ncc(C(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)s1 1159208213 PLHYRFMZOVOTKA-OAQYLSRUSA-N 426.630 4.546 30 10 IJEE C=CCNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc([C@H](C)CC)cc1 1164485228 PDFOUUCJWXBJPL-OAHLLOKOSA-N 441.984 4.947 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(F)cc1 1185447103 DUCPALGBXOHOLZ-KRWDZBQOSA-N 425.323 4.526 30 10 IJEE Cc1cc(Br)cn2cc(CNc3cc(Br)c(C#N)cc3F)nc12 1186060935 COYRQGJUCSYRKE-UHFFFAOYSA-N 438.098 4.791 30 10 IJEE C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)c1c(Cl)cccc1Cl 1186292786 DGQNMHJHCJPRQH-JTQLQIEISA-N 448.169 4.710 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nnc1-c1ccco1 1188531244 SSVWHEGFSBKFQW-INIZCTEOSA-N 435.336 4.929 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C(C)C)nnc1-c1cccc(OC)c1 1188899127 GVYNSOSSBRCUII-WMQCIHAUSA-N 442.629 4.951 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)cc(OC)c1OC 1206404448 QHIGRGDBFITETJ-UHFFFAOYSA-N 437.462 4.839 30 10 IJEE CN([C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)Cc1cc(C#N)ccc1F 1211363292 HKYPONVAVBDGSO-QUCCMNQESA-N 440.462 4.814 30 10 IJEE C=C(C)[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc(F)c(F)c1 1234567837 ZORLSVPSQQJKRM-MDYRTPRTSA-N 437.531 4.774 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1256625568 FQPPWJQTAWDRRD-NZQKXSOJSA-N 448.542 4.855 30 10 IJEE C#C[C@@H](NC(=O)c1nc(Br)ccc1Br)c1ccc(Cl)cc1F 1275497682 HNDJFSDOCACBQO-GFCCVEGCSA-N 446.501 4.503 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=C)c1ccccc1 1286400632 CWNVYRCNLDTPSP-LJQANCHMSA-N 426.589 4.918 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C(C)C)C(C)C 1286423469 LZVRUSXHMRIXRE-UHFFFAOYSA-N 446.426 4.834 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCC(C)(C)COC 1286527961 VDDDAPSZHBGIBK-AREMUKBSSA-N 438.616 4.919 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1286536849 STRKVBAKZQXFCX-BSXFFOKHSA-N 435.341 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C1CC1)N(C)C 1286566957 QHVGLHUSHLMAEJ-YLJYHZDGSA-N 427.662 4.874 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccccc1F 1286584889 VOYRMASRQLJSFE-CQSZACIVSA-N 432.341 4.959 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1286689548 UKMIECHENBLZKL-UHFFFAOYSA-N 431.584 4.976 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1286699349 RJTDIXLGGFSGER-HXUWFJFHSA-N 447.624 4.712 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1286833603 IVGFOTBUWIQDIX-CVDCTZTESA-N 449.624 4.779 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncc(CC)s1 1300367122 WFLFLNHVFLXPJV-UHFFFAOYSA-N 429.540 4.606 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1300371429 SFUAOJFPRYTUPH-WOJBJXKFSA-N 445.007 4.669 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCN(C(C)(C)C)CC1 1300394273 OWFQPYSAWMXGDI-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1[C@@H]1C[C@H]1C(C)C 1300561144 MEXBYGRKZLZIDF-QFBILLFUSA-N 429.337 4.527 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1300565643 SKUMDTLOABVFQP-UHFFFAOYSA-N 441.579 4.591 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCCC1(C)C 1300897232 PLTULJYFNIKJGZ-CVDCTZTESA-N 440.588 4.616 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCOC(F)(F)F)CC1 1301074892 OLYVAPDYCLQHGE-UHFFFAOYSA-N 445.283 4.791 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1301158526 IAJLKFUQBRDWBM-LJQANCHMSA-N 436.959 4.787 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1(OC)CCCCC1 1301341233 PUFRAQJBSSRMFJ-UHFFFAOYSA-N 430.556 4.687 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2cc(Br)cc3cccnc23)CC1 1307674535 GGIQAJLSZQBZPM-OAQYLSRUSA-N 439.332 4.519 30 10 IJEE CC(C)(C)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(F)cc1F 1309311828 CSPMVORVGKEQBA-QGZVFWFLSA-N 443.313 4.665 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)c1ccc(Cl)cc1F 1311208769 ROIKQQOKUPFATA-NRFANRHFSA-N 437.858 4.866 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)C3=Cc4cc(Br)ccc4OC3)c2C#N)C1 1350719288 HWNCWPMJNSHLOL-LLVKDONJSA-N 429.339 4.922 30 10 IJEE COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1C#N 1353002781 FRGZNBJIVDTIRC-UHFFFAOYSA-N 427.435 4.958 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC[C@@H](OCC)C(C)C 1358875773 VNONDNOYFFCQOP-VQIMIIECSA-N 433.394 4.617 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1358912383 POWQPKOHYYBXQR-VWLOTQADSA-N 449.643 4.672 30 10 IJEE C#CCCCn1c(C(C)C)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1358919551 FGAWALNBALIGAO-UHFFFAOYSA-N 439.913 4.814 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCc1ccc(Cl)s1 1359072028 MNAXNAZWJSBTFW-HXUWFJFHSA-N 432.018 4.584 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCc1cccs1 1359078942 TUUJUHYMQLWPDP-UHFFFAOYSA-N 448.346 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1359100890 HSLOUXODYMBMHF-NOXFTYBFSA-N 426.580 4.862 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(Cl)cc2)CC1 1359180618 LYISUZRMKFOJRV-UHFFFAOYSA-N 428.005 4.932 30 10 IJEE C=CCn1c(N2CC[C@@H](c3cccc(C)c3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290090 HGKKGZRJQMZSAD-NJYVYQBISA-N 437.588 4.537 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1359342013 MULQPRJZYNOPQF-ICSRJNTNSA-N 432.590 4.520 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CCCN1C(=O)OC(C)(C)C 1360405544 XGJMJZNGPMVJPY-XMMPIXPASA-N 437.544 4.633 30 10 IJEE C#C[C@@H](NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccc(Cl)cc1 1436649295 SFBXXWNNNHPQEI-UXHICEINSA-N 431.761 4.730 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 1436685677 GYHHYYZUEFHAQU-AHKZPQOWSA-N 428.576 4.827 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)C1CC1 1442318369 CTLIKIIZNCJSCT-QHCPKHFHSA-N 449.938 4.551 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 1443493822 MRMOQKQNRWEHIY-SFHVURJKSA-N 425.554 4.544 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)Cc3cccc(Cl)c3)n[nH]2)c1C 1446156724 FPALFCFYZZSDBD-UHFFFAOYSA-N 425.964 4.728 30 10 IJEE C#CCOCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1457395397 YGXUJOQOUPOFSX-VZCXRCSSSA-N 440.543 4.842 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2cc(C#N)cs2)C1 1460228176 BGDNLKAHEDWHAF-IEBWSBKVSA-N 443.544 4.529 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc(OC)c1OC 1461283829 LARNQWUHNODHQH-RTWAWAEBSA-N 437.536 4.732 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cccc(OC3CC3)c2F)s1 1461414639 DTSJKHSXOQNJPQ-UHFFFAOYSA-N 426.966 4.835 30 10 IJEE Cc1cc([C@@H](NS(=O)(=O)c2ccc(CC#N)cc2)c2ccccc2Cl)ccc1F 1463203337 GYKMBCJKNUFCQO-JOCHJYFZSA-N 428.916 4.922 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)cc1 1464463927 BHNVWJHZCHHPDG-QHCPKHFHSA-N 437.971 4.757 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(Br)c(C)cc1Br 1468482136 IGOFNCXXMMMSCD-HNNXBMFYSA-N 429.152 4.660 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)C1 1468743308 GHOYJAWBICBZSD-UNMCSNQZSA-N 448.369 4.813 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(Br)cc1 1468921112 QSPBQILRSHJNIL-IEBWSBKVSA-N 446.776 4.745 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@H]1CCO[C@@H](c2ccncc2)C1 1472934648 JMRKSFBRHDEHJM-FXAWDEMLSA-N 426.517 4.590 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)ccn2)nnc1-c1ccc(Br)cc1 1472935944 NCZZNGPAWLYPPQ-UHFFFAOYSA-N 429.343 4.572 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 1473313562 BEWOTWOBUZUJTI-PMTGJVGFSA-N 425.960 4.971 30 10 IJEE CC(C)c1c(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cnn1-c1ccccc1 1476538864 FKMJYJIQCJGAQW-UHFFFAOYSA-N 442.567 4.653 30 10 IJEE C#C[C@@H](NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1 1477942378 YXPWPGULJVQKEI-XMMPIXPASA-N 442.469 4.991 30 10 IJEE COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1478475443 BDWQVVFFUJOSPX-FZXHJONRSA-N 448.567 4.835 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1478854315 FKEPEMRQKBXVJX-FPOVZHCZSA-N 429.561 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC[C@@H](C)C1 1507518065 KLIQZUCVNHKDOZ-RTWAWAEBSA-N 444.627 4.542 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](COC)C1 1507558707 YHVSFLGOKGJJKY-RTBURBONSA-N 430.980 4.738 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@H](C)C1 1507704339 XUCPQRVFQPDSIM-NZQKXSOJSA-N 445.611 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CCN(CC)C(=O)OC(C)(C)C 1507816866 MNBXSURJSGJSQF-UHFFFAOYSA-N 445.583 4.667 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1CC 1507838744 XMESNYICPLREHI-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507891726 FRENOMKMJKETAD-CJFMBICVSA-N 441.595 4.663 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H](C)c2ccccc2)CC1 1507898980 XXYQSFNKQNSMPX-RLWLMLJZSA-N 438.616 4.915 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1507913569 ZXHJBEBDXLGMCX-VQTJNVASSA-N 430.980 4.585 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1507928144 AYISYVFEMXZBQK-KRWDZBQOSA-N 429.634 4.917 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@@H](C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507929949 SWTZWUWMYYEEPO-HRKISDNUSA-N 438.616 4.771 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(C#N)o1 1508018748 AABKDYWZISRFRL-UHFFFAOYSA-N 431.540 4.846 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CCCN1C(=O)OC(C)(C)C 1520438562 KOFYKNUGRFQRGQ-QHCPKHFHSA-N 446.548 4.713 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)cc1 1520500241 GLQYUTGHKIGWOS-UHFFFAOYSA-N 429.358 4.818 30 10 IJEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)c2)CC1 1521143113 DNDKMBLCPQNNOL-LJQANCHMSA-N 433.478 4.717 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCCCCC1 1521154586 GAEVFYBIDUPMBI-UHFFFAOYSA-N 442.007 4.738 30 10 IJEE C=CCOc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 1521577724 CLTBNTAWNUNYLN-HXUWFJFHSA-N 434.319 4.906 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 1523228152 ATMOAOHENIMKSQ-UWJYYQICSA-N 427.907 4.872 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc3oc(C)nc23)nnc1-c1ccc(Cl)cc1 1525713314 BLSLKQQPOSAOTG-UHFFFAOYSA-N 439.928 4.965 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1ccccc1 1525781719 XAKPFMDTABQDQZ-NJGKLKBPSA-N 439.581 4.578 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccccc1Br 1526174511 BNIXXDKUOKIHFL-ZDUSSCGKSA-N 425.248 4.951 30 10 IJEE C=CCn1cc(CNC(=O)c2cccc(CSc3cc(Cl)cc(Cl)c3)c2)nn1 1529544375 SHSWWHRDQWTIFT-UHFFFAOYSA-N 433.364 4.993 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1OC 1530658332 AXJQWSPWVRGZJI-XSSIKURBSA-N 426.944 4.712 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(F)c(Cl)cc2I)cc1 1530803127 IJPUCAPRKVYPRO-UHFFFAOYSA-N 443.643 4.738 30 10 IJEE C=C(CC)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1538534278 CMSXVIUNAJUHBD-UHFFFAOYSA-N 443.750 4.808 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(I)ccc1C)c1ccc(F)c(F)c1 1538995429 HGSMPUKDPSCRHV-QGZVFWFLSA-N 427.232 4.925 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1539102277 VPUFPKIQEYAYDW-IBGZPJMESA-N 449.555 4.598 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)N(CC)CC 1539344826 KWRODOZVCNYXGQ-GOSISDBHSA-N 436.629 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCCCCCN1CCCC1 1539547941 ABTJJIFBNHQWHO-HHHXNRCGSA-N 444.627 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1Cc1cn(CCCC)nc1C 1539567068 UAJFJBKHFGPVDV-AREMUKBSSA-N 446.599 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1cccc(Cl)c1 1539666220 RFMBLNIHRDUQTJ-HSZRJFAPSA-N 425.964 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cccc(NC(=O)OC)c1 1539674190 MZSLSLPGRCYHOC-UHFFFAOYSA-N 425.558 4.559 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1539766553 AFAWQEONFOXHTM-LJQANCHMSA-N 447.549 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCCN(c2ncccc2F)CC1 1539919126 WDGXYRUHMYTGHS-UHFFFAOYSA-N 426.584 4.789 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)OC)C1)c1ccccc1 1539940552 RZSYLDYSXVLMDE-NHCUHLMSSA-N 434.540 4.596 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)nc1 1540134492 SUTSRNSTJIBAAJ-UHFFFAOYSA-N 433.487 4.630 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2)C(C)C 1540148222 SAVJZLSQSYFUPF-XWGVYQGASA-N 430.600 4.504 30 10 IJEE Cc1nc(C2CCCCC2)sc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1540549990 FCYDJFVUTYFZIX-FQEVSTJZSA-N 426.561 4.661 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1540912098 MQHCGTIAGUPYGL-WOJBJXKFSA-N 430.593 4.787 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1540920492 XFWJPSCSHZABQM-RBUKOAKNSA-N 430.593 4.932 30 10 IJEE CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)n[nH]2)c1C 1544321931 CBSBAWANNYJSJN-GRWTVWFQSA-N 430.556 4.773 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1552547994 CVGUZOXMHVMGPW-JOCHJYFZSA-N 439.629 4.745 30 10 IJEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCC(F)(F)C1 1554230343 BSWFQRYUGXMLCN-VQTJNVASSA-N 443.542 4.895 30 10 IJEE C#CCOc1ccc(F)cc1NCc1cc(Br)c(OC)c(Br)c1 1560361302 RJGSOKGIKVMAPC-UHFFFAOYSA-N 443.110 4.983 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H](c1ccccc1)N1CCOC1=O 1585624406 FYXQSDUQTKIKBU-UZLBHIALSA-N 445.441 4.530 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1585950768 MAICDPGLFFQQCK-UHFFFAOYSA-N 446.400 4.872 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1 1589192330 PDXFESZHTVATKO-OAQYLSRUSA-N 429.421 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCC[C@H](C)C1 1589687971 VSMZKDOHIKKUJN-NRFANRHFSA-N 425.621 4.608 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](COC)O[C@H](C)C1 1589715962 YNMYLYXZSWPJGT-CABCVRRESA-N 432.977 4.629 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1594461211 MKPMDYKIYDSCED-UYAOXDASSA-N 434.588 4.941 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1594546316 YCARUFCUNPAQOU-FPOVZHCZSA-N 449.565 4.909 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CCc1n[nH]c(C)n1 1595149162 KTMDGWNPXBFWSJ-UHFFFAOYSA-N 439.976 4.522 30 10 IJEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2cc(Cl)ccc2OC(F)F)n1 1612183689 BGTZRZMMRFNJGL-CYBMUJFWSA-N 446.889 4.548 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCS1 1613250748 ACVAMLQLUWOEMM-DYESRHJHSA-N 425.602 4.607 30 10 IJEE CC(C)(C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccc(F)cc1 1621657637 CBNVWMKDNRBAOB-SFHVURJKSA-N 439.350 4.916 30 10 IJEE COc1ccccc1Nc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 1624664042 CKJGZQBTXQVRCF-UHFFFAOYSA-N 440.547 4.659 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)c1ccc(Cl)cc1F 1629953092 SWUMKPXOLPJCAW-PKTZIBPZSA-N 427.951 4.926 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)c1C#N 1633492237 GWZLKXMIDQIDOW-QHCPKHFHSA-N 429.545 4.683 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 1633571465 KEPOIRSNYKBMQN-WOJBJXKFSA-N 446.979 4.529 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)C(=O)OCC 1635697653 FCHVNUYOHDVMMK-GOSISDBHSA-N 437.471 4.534 30 10 IJEE C#C[C@@H](NC(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl)c1ccc(F)cc1 1636547225 AGHVSPPWYBHKJP-JOCHJYFZSA-N 442.897 4.791 30 10 IJEE C=CCc1cc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc(OC)c1OC 1641489765 DWTCKXCXNXHITO-FQEVSTJZSA-N 437.536 4.908 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1642059837 SEEGPEATCOCFHJ-CQSZACIVSA-N 442.812 4.636 30 10 IJEE CC[C@@H]1CN(CC)CCN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1643086339 HJZFBIVYDZXCAB-ZWKOTPCHSA-N 430.662 4.515 30 10 IJEE C#CC1(O)CCN([C@@H](C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)c2ccccc2)CC1 1643960243 FQDBXBHQVCSIDZ-HSZRJFAPSA-N 445.588 4.512 30 10 IJEE C=CC[C@@H]1N(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2)CCCC1(C)C 1645453001 CDOLCCXQEBZZLF-FPOVZHCZSA-N 445.991 4.578 30 10 IJEE N#Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)ccc1Br 1647797398 AEDASZNDPOZRPP-UHFFFAOYSA-N 446.102 4.726 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCCN1CC 1649539836 RKWCLYLCGZEVDW-WIYYLYMNSA-N 448.640 4.709 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc2c(c1)CN(CC(F)(F)F)C2 1651176145 BYCHIHIKNHMXDV-UHFFFAOYSA-N 439.275 4.951 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncsc1Br 1652741603 PAGAXWDQJGUUAR-UHFFFAOYSA-N 437.388 4.863 30 10 IJEE COc1cc(N[C@H]2CCCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)cc(OC)c1 1655260236 AFPNMAGYVMWFEQ-SFHVURJKSA-N 445.567 4.582 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(C)c(C(=O)N(C)C)c2)cc1OC 1657484944 JMWKARYNUBCQDO-UHFFFAOYSA-N 433.346 4.645 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1657563275 QTBRODFCWKWNDY-LJQANCHMSA-N 434.927 4.580 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3COC4(CCCCCC4)O3)c2)cc1 1666028605 HHHRSCBGMDQHDT-XMMPIXPASA-N 449.551 4.919 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1667083294 XLSBSLHMJKNURT-HXUWFJFHSA-N 441.572 4.590 30 10 IJEE C#CCSCCNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1668179857 OKSAHJRPDAXQNF-UHFFFAOYSA-N 433.411 4.625 30 10 IJEE C=C1CCN(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)CC1 1669166297 KJZZTUIIJOZCIO-UHFFFAOYSA-N 428.330 4.563 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1670658863 BTRBMZICKMVSDG-FQEVSTJZSA-N 443.588 4.733 30 10 IJEE C=C1CCC(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)OCC)c3)c2)CC1 1672006629 KLYOOPMAQBHTPI-UHFFFAOYSA-N 435.524 4.984 30 10 IJEE C#CCN(C(=O)Nc1cnc(OC)c(Br)c1C)[C@H]1CCCc2ccccc21 1674842061 NMWWBVUXZLDNAM-SFHVURJKSA-N 428.330 4.706 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[C@H]1CCCc2ccccc21 1678516084 OQENCWFGLPUNPX-ZEQRLZLVSA-N 432.955 4.848 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccccc1S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 1679305799 RLEWSZIHMIQHGK-GOSISDBHSA-N 440.487 4.616 30 10 IJEE CCOc1cc(Br)ccc1NC(=O)Nc1ccc(Br)c(C#N)n1 1679661245 HRAXFITUPMXBHH-UHFFFAOYSA-N 440.095 4.521 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1)c1ccc(Br)cc1 1683512927 SKWKOAPFKBCCPC-RTWAWAEBSA-N 441.369 4.903 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@@H]1C1CCCC1)[C@@H]1CCOc2ccc(Br)cc21 1684789168 AJBCGMIDVXZHSZ-ILZDJORESA-N 431.374 4.744 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1csc(CC)n1 1690008325 DWYYUTLYMUXOFQ-UHFFFAOYSA-N 444.391 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCC1CCC(OC)CC1 1690213033 ZNUYHVICKMWWAA-AJEPASEPSA-N 436.600 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@H]1CCCCO1 1690243106 HJIPXCKPEQVQHP-UEXGIBASSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCCCCCC1 1690252788 IWIRDCXXRZOKMN-HYBUGGRVSA-N 440.588 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(CCCCC2)O1 1690257724 RRYIQSDLOQLHRC-PXDATVDWSA-N 446.636 4.603 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCSC2)C1 1690300775 KITAWSBXHXKYAP-XUZZJYLKSA-N 426.630 4.746 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1690379715 XGZYSLQYXPBGFG-LJQANCHMSA-N 441.576 4.787 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CSCCS2)CC1 1690415532 OWKYQABLSANUQB-FQEVSTJZSA-N 444.670 4.725 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCOC[C@H](C2CCC2)C1 1690477566 CEJYSEZRKTZFAR-GOSISDBHSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1690482950 DZJRPZIGJADKGQ-XMSQKQJNSA-N 445.558 4.647 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C1CC(C(C)(C)C)C1 1690553642 BCDHJMFCQQHJBV-UHFFFAOYSA-N 439.604 4.615 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@H](F)C1 1690556484 YGAAUXKZMACMPU-RTWAWAEBSA-N 435.547 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN(C(C)=O)C1 1690576274 UHHJWKVOKFKVJW-NRFANRHFSA-N 449.624 4.766 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CCCS1 1690604676 YHTZKVOZBGZYRO-QPPBQGQZSA-N 426.630 4.693 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCCC2(F)F)C1 1690688217 QTLFFVUGFSDFQK-AZUAARDMSA-N 432.515 4.561 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1690733795 NKVPGJUUUSYUKI-GOSISDBHSA-N 443.636 4.881 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCSC1 1690733933 QVCFYZBXRKCGTG-WBVHZDCISA-N 439.050 4.932 30 10 IJEE CC(C)Oc1ccc(Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)cn1 1692600679 AJRIFFKAIUVGOX-UHFFFAOYSA-N 444.583 4.847 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CCOCC2)c1C 1692893849 BJWGPJRDEWTOBW-CPJSRVTESA-N 437.588 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCSCC(C)C 1705667979 ATRQREHXCCWBIM-WZONZLPQSA-N 430.593 4.939 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCc2ccc(Cl)nc2C1 1705757788 XWTHIODQCWIWJS-UHFFFAOYSA-N 428.367 4.817 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc2c1OCCCO2 1705799456 XIRWNSBJEAPLLP-NRFANRHFSA-N 440.588 4.564 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nccs2)C1 1705803440 QNUNGKOXVHGBPH-GOSISDBHSA-N 429.977 4.989 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705827852 SUPLMHKEEJKFQE-HDICACEKSA-N 441.526 4.814 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(OC)nc1 1705834215 GODZTGSUGHYCHU-KRWDZBQOSA-N 441.963 4.762 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)c1ccccn1 1705871912 DBRRTLWOTUPMGJ-UHFFFAOYSA-N 439.567 4.682 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(Cl)nc1 1705878469 PTCICOLKTBNTNB-OAQYLSRUSA-N 437.975 4.852 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1705939302 CHTJBCFAOGLGDY-ULQDDVLXSA-N 436.622 4.807 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CCC(F)(F)F)CC1CC1 1722313867 ZFUSRGVPNGXVOC-UHFFFAOYSA-N 434.462 4.646 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nc(C)cs1 1722343537 CKYBWHSYJGGDCV-MRXNPFEDSA-N 429.977 4.571 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCOC1CCCCC1 1722344483 KATBVKWLBFDBDL-SFHVURJKSA-N 430.980 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccc(Oc2cccnc2)c(F)c1 1722472951 LSVFWFUPSBSUIA-RUZDIDTESA-N 433.531 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@](C)(O)C1CCCCC1 1722473897 DLPMNUULRIYBQW-SXOMAYOGSA-N 434.628 4.777 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1Nc1cnn(CC2CCC2)c1 1722489156 QALLOJAGXILOJY-UHFFFAOYSA-N 445.340 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC=C(COC)CC1 1722490672 BUBWYUXKPTYRKL-SGNDLWITSA-N 436.600 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(C)C 1722492334 FFFVAQVRLRHOGH-HKUYNNGSSA-N 433.394 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1722505341 JYUVTVPZUWKPCK-IRLDBZIGSA-N 439.560 4.850 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(OC)C1 1722528075 FULFIEAANOWAEP-OAQYLSRUSA-N 439.387 4.850 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C(C)C)C1 1722545977 DMXDJPUZZSFIRV-QFIPXVFZSA-N 439.991 4.966 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1722568384 KDJWMXDYAUILAV-JOCHJYFZSA-N 435.572 4.526 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1722574957 ULVQRFLJNDTCQP-MDNUFGMLSA-N 438.616 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H]1CSC 1722586808 AXLQMAUVTDZKMX-GOSISDBHSA-N 428.602 4.650 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1722610820 DMKCWBVCIHBJNY-CRAIPNDOSA-N 431.462 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCC1CCN(CC(F)(F)F)CC1 1722636727 NMWOYPUGXLUGTO-UHFFFAOYSA-N 441.929 4.885 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2[C@@H]2C[C@H]2C(C)C)C1 1722714082 GGXSMCOFLVZBNJ-VDZJLULYSA-N 431.378 4.706 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(CC)cc3)nnc2N2CCC(CC#N)CC2)o1 1727973540 BTPMYWJOSLQICJ-UHFFFAOYSA-N 432.572 4.935 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)Cc1cccs1 1740532149 CNCPZXWZKCYQTC-BZSNNMDCSA-N 426.561 4.955 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CC1CCC(C(F)(F)F)CC1 1740670400 NOXQMMXYHGBWBN-UHFFFAOYSA-N 440.460 4.975 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740719304 JURAEBDWXGREMJ-FVJLSDCUSA-N 430.568 4.528 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740744306 RHPBXFSBDYRCPQ-UHFFFAOYSA-N 434.338 4.777 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C(CC)CC)N(C)C)CC1 1740819285 KWPZEHWVSNZCRO-LJQANCHMSA-N 449.441 4.559 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCSC2)CC1 1740829118 LKHOTNHKXXFXPE-IBGZPJMESA-N 428.602 4.555 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1740845683 YFQXVHBXBJSYBN-AREMUKBSSA-N 438.616 4.841 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(=O)NC(C)(C)C 1740860151 WJMVMFPIFGSNGR-KRWDZBQOSA-N 443.661 4.839 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N2CCCC2)nc1 1740892030 PMKZQXBVAFQUDX-OAQYLSRUSA-N 446.599 4.701 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](OC)[C@@H](C)CC)C1CC1 1740906783 RGQIFKYQPWDDMI-KXBFYZLASA-N 433.394 4.924 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](CC)C1 1741001649 AFTMRGCBROMVGB-SFHVURJKSA-N 449.665 4.548 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(CCOC)CCC1 1748642420 OKVKBFFWMBIGKM-MSOLQXFVSA-N 430.980 4.736 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C2CC2)C1 1749085702 CXRHUBCIVRYALC-GDBMZVCRSA-N 435.341 4.702 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1749255592 DCVSWWOLEZIAEN-DLBZAZTESA-N 446.979 4.740 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749366246 AMRBBVAIQGWENU-UHFFFAOYSA-N 437.636 4.778 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1749414547 GSCUKJJBBVXWHE-DFQSSKMNSA-N 440.588 4.952 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2cnn(CC)c2)CC1 1749450366 DRSJSDMHYFZKAF-FGZHOGPDSA-N 440.636 4.763 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2nc(C)c(C)s2)C1 1749703699 NAJCGZNLMIFRJA-INIZCTEOSA-N 429.977 4.501 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCCC1 1760100056 QGRMTAAXTYFWAD-OAQYLSRUSA-N 444.627 4.687 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCCC1(F)F 1760298409 HELWUUOCQAZSAO-AUSIDOKSSA-N 428.527 4.983 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N(CCOC)CC(C)C 1760304058 HUVNWJVGNWACDX-UHFFFAOYSA-N 427.774 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1760408999 WJOUJRSDKNZOHP-ICSRJNTNSA-N 440.588 4.918 30 10 IJEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1760437787 OBLYZIUCTLGRLX-UHFFFAOYSA-N 447.461 4.627 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCN1CC)C1CC1 1760475780 UMZCIBDEGUSOEL-NRFANRHFSA-N 425.646 4.908 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1CC 1764083276 AUAHBNPFWQPPCC-LEWJYISDSA-N 436.604 4.531 30 10 IJEE C=CCN1C(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC1=Nc1ccncc1Cl 1772738278 TWQYVLQCQVBTHN-RWZMYONRSA-N 426.885 4.989 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1ccccc1C(=O)O 1772762448 KIODKCJOKIPJAT-OYBLBNEUSA-N 443.322 4.937 30 10 IJEE CC(C)OC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)c1 1858866751 WNWKYQYLYVXXDD-UHFFFAOYSA-N 430.464 4.741 30 10 IJEE Cc1ccc(CC[C@@H](Sc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)C(=O)O)cc1 1860466549 YXQGRBXJVXEBBW-GOSISDBHSA-N 439.924 4.861 30 10 IJEE N#Cc1c(NC(=O)COc2ccc(-c3cscn3)cc2[N+](=O)[O-])sc2c1CCCC2 1860470297 OOPJKFOMDLSLRQ-UHFFFAOYSA-N 440.506 4.548 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(C(C)(C)C)cc1 1861813429 MMSZWRXVNOVYEM-DHIUTWEWSA-N 430.633 4.816 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1Cl 1862380798 LPGWVVZFRRNHNX-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(O)c2)cc1 1862412024 UMRROKRPAQDFKC-HSZRJFAPSA-N 449.453 4.800 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)ccc1O 1862436259 OXFWPTZOONQUHT-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)ccc1O 1862481062 WDBULWWVYSMICS-JOCHJYFZSA-N 449.528 4.592 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591771 NIHXEQYTKZFBAZ-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc2cc[nH]c2c1 1862608332 LRXVTBHPPUCALR-HSZRJFAPSA-N 446.503 4.564 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc2ccccc12 1862630760 BFVYTLNVBKXNFM-CMJOXMDJSA-N 429.472 4.945 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862666772 LXLVNRZVUDVDOE-HSZRJFAPSA-N 435.520 4.816 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)c2ccc3c(c2)CCCC3)=C(c2ccc(OC(C)C)cc2)C1=O 1863695702 VPTVFUTVEUSSJU-LJQANCHMSA-N 444.575 4.969 30 10 IJEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CNc1ccc(OCCCC)cc1 1870794380 MPVOAKANUHFXFS-UHFFFAOYSA-N 442.556 4.547 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(C)c(C)c1 1870840958 KOBIZDUZXTXYNZ-UHFFFAOYSA-N 426.557 4.766 30 10 IJEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871371970 SEDLBIIJCJQQPQ-QRVIBDJDSA-N 431.463 4.964 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871382049 KWXHBLKLEWAVIK-UUYOSTAYSA-N 432.403 4.895 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)C(C)(C)C)cc(C)c3C2=O)c(OC)c1OC 1871419058 BEJBQAWEPIJHPL-ODLFYWEKSA-N 440.492 4.631 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccccc1 1872102805 FOPVROIVJUXVRD-QHCPKHFHSA-N 439.581 4.932 30 10 IJEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccccc3OC)n2)c(OC)cc1Cl 1872783328 WVXYWKTWYSVXMZ-AWEZNQCLSA-N 428.897 4.979 30 10 IJEE N#Cc1ccccc1Nc1nc(N2CCc3ccccc3C2)nc2c1cnn2-c1ccccc1 1873484620 ZKLKIDIERNLANX-UHFFFAOYSA-N 443.514 4.993 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2-c2ccco2)cc1OCc1ccccc1Cl 1873502406 KZNBFIRGIOPXNA-FSJBWODESA-N 440.912 4.950 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1cccc(OCC(C)C)c1 1873675644 IOAQLTFFVVKBKD-UHFFFAOYSA-N 447.560 4.500 30 10 IJEE N#Cc1ccc(NC(=O)COc2ccc3cc(-c4cc(F)cc(F)c4)c(=O)oc3c2)cc1 1873867723 VYFMBDWCSDLNQH-UHFFFAOYSA-N 432.382 4.627 30 10 IJEE CCOc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874234545 NHKJZMKRWRXSDQ-WYMPLXKRSA-N 436.459 4.879 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccco1 1874367407 ALJWIZBUAMKJAR-OEAKJJBVSA-N 445.976 4.814 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(F)c1 1874429472 LDZBGNVPVWUEMZ-PCLIKHOPSA-N 439.560 4.707 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(F)c2)c1 1874437111 KLMVCOKDCYKFLR-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1Cl 1874509163 OGSDQUUYUXOGSO-FOKLQQMPSA-N 431.924 4.807 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)N(CC)CC)nnc2C2CC2)cc1 1874514908 LSDUKTRBAWISSJ-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2nc(O)c3ccccc3n2)cc1 1874576023 SXZODABLKKUGLW-NTCAYCPXSA-N 442.471 4.828 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)c1 1874706319 AOEUYPHBLJFJPZ-NTUHNPAUSA-N 446.455 4.744 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 1874709221 BAXJSLFNKBICCG-UXBLZVDNSA-N 439.370 4.997 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1Cl 1875186412 UXXUIKWHJHTERS-QPJJXVBHSA-N 438.867 4.571 30 10 IJEE Cc1cc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)sc1Br 1912681702 JVUFLCNCWQVATJ-UHFFFAOYSA-N 440.143 4.510 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)C[C@H]1CCCN1C(=O)OC(C)(C)C 1922085874 MADXVWDIJMQVFX-MVERNJQCSA-N 446.632 4.668 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CCOC1CCN(C(=O)OC(C)(C)C)CC1)NCC 1922103888 OPSQBTIGAXQGBC-HSZRJFAPSA-N 432.605 4.544 30 10 IJEE N#Cc1ccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1 1951577405 PAOALKMRFQNQQT-RPWUZVMVSA-N 438.483 4.607 30 10 IJEE N#Cc1ccccc1[C@@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952859736 UXUVIQUMGOATLD-UKILVPOCSA-N 438.483 4.955 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCCC2 1989565120 FFUFMELNLVLNAT-LJQANCHMSA-N 433.471 4.612 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(N(C)C(=O)OC(C)(C)C)CC2)c1 2000205774 OLQOYJSFMUTWSY-SFHVURJKSA-N 431.533 4.728 30 10 IJEE C#CC(C)(C)C[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2048683953 LRAZSFJMZFASDC-QHCPKHFHSA-N 441.660 4.964 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C12CCC2 2068972414 ZNAKQLIBCOTDFN-XMMPIXPASA-N 443.544 4.872 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C3(C)CC3)c(C=NO)c2I)c(F)c1F 2079929302 SFKQUNZGTWUYIY-SNVBAGLBSA-N 445.251 4.543 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(C)c1 2079943902 IUWRICSYIAAUAY-CQSZACIVSA-N 432.240 4.789 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H](C)CCCN(C)C(=O)OC(C)(C)C 2168120979 KUPKCUHPSXZFJX-MRXNPFEDSA-N 439.394 4.586 30 10 IJEE C[C@H]1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc(C#N)c(Br)c1F 2174769400 YLPRFDDEONMEGL-IPYPFGDCSA-N 440.357 4.835 30 10 IJEE C[C@H]1[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)CCN1C(=O)OC(C)(C)C 2200686806 NOVIZFJMCNTLJW-IGCXYCKISA-N 436.350 4.541 30 10 IJEE CN[C@](C#N)(COc1cc(Cl)c(Br)cc1Cl)C1(Br)CC1 2206640080 OZOFYOOIODBYSQ-CYBMUJFWSA-N 442.966 4.544 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1snc(C)c1NC(=O)OC(C)(C)C 2227492058 ZQGCRIYJTSEYMI-OAHLLOKOSA-N 436.375 4.873 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@H](N)C#Cc1ccccc1Br 2235745978 GRJZVJWJIZWQFQ-KNQAVFIVSA-N 435.406 4.992 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247826298 RORGFEMDFXPSGI-MRXNPFEDSA-N 428.407 4.519 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267573558 KRCLGLNXWXRQII-ZWKOTPCHSA-N 442.365 4.795 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3cccc(Cl)c3Br)CC2)OC1(C)C 2267985648 WVBMYLVFIVTTFX-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2296930438 YHLUVWYEUKHOCN-JOCHJYFZSA-N 444.443 4.538 30 10 IJEE C=C(C)CSc1nnc(C)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2321149707 FAEQOTMPDBYBKY-UHFFFAOYSA-N 439.379 4.695 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323190029 BSUDPMHGSPDXMI-UHFFFAOYSA-N 431.400 4.504 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1OC 2323540888 GPFFGYXNYNMXDK-UHFFFAOYSA-N 428.533 4.757 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC(C)=O)cc4)c3C)C2=O)cc1 2323627563 RAJRVDFFRBRHBG-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(OC(C)(C)C)cc2)cc1 2326783693 UEDNSIDLKGGJSB-UHFFFAOYSA-N 438.553 4.725 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCCc2ccccc2)n1N=Cc1ccco1 2328497261 ZDABUOKAEQKQRK-UHFFFAOYSA-N 433.493 4.587 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)c1 2328607651 VOTCXBCJCCHBNC-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2)cc1 2330701247 IJGQCDBUDOTHMV-UHFFFAOYSA-N 441.560 4.544 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(Br)cc1 2330889289 QFZIWKQVSNQHSA-UHFFFAOYSA-N 444.159 4.721 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 2330961498 FDGUUHFZPAALIJ-IBGZPJMESA-N 428.945 4.966 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1 2331201001 AZFFFGFKCMEUTA-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)cc1 2331721754 KQRCOWJNKPJWSP-UHFFFAOYSA-N 449.580 4.947 30 10 IJEE CC1(C)OB(C=Cc2ccc(NC3[C@H]4C[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2339577978 ABLBXQSXYOCFIZ-VXKWHMMOSA-N 431.389 4.659 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339578145 CPHBZSGQXOPRFI-IPMKNSEASA-N 442.365 4.503 30 10 IJEE C[C@@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339589293 VPISRLKPNLSBIC-MJGOQNOKSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339597347 PZITUCCTTAVWJH-LJQANCHMSA-N 444.381 4.752 30 10 IJEE Cc1cc(CN2CC[C@]2(C)CCOCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343696219 GDCBUEBFZCWHOC-HHHXNRCGSA-N 435.417 4.866 30 10 IJEE C#CC[C@H](CN(C)Cc1ccc(I)c(Br)c1)C1CC1 2349823945 HKDOOOGJUXKIKR-CQSZACIVSA-N 432.143 4.535 30 10 IJEE N#C[C@]1(Cc2ccc(I)c(Br)c2)CCOC12CCCC2 2377407099 ILYSIOWWWJCQSG-OAHLLOKOSA-N 446.126 4.839 30 10 IJEE CSc1nn(-c2cc(Oc3ccc(Cl)cc3)nc(-c3ccccc3)n2)c(N)c1C#N 644453 YOMNYXAPZHEBBR-UHFFFAOYSA-N 434.912 4.951 30 10 IJEE CCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)OCC)C3)c1 9347629 XMUHZOCEWHKKQA-UHFFFAOYSA-N 427.526 4.566 30 10 IJEE C=CCNC(=O)c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21 14461023 GDLOSKPMDZBLHF-IVZHQMGZSA-N 425.326 4.897 30 10 IJEE COc1ccc(CCn2c(O)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=O)cc1OC 39870836 NCSKLOHBHSGVFR-CYYJNZCTSA-N 432.480 4.718 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 41285847 RXLKSHHVLGXOBB-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 41292779 MSWQYHSXCLIAAT-AFPJDJCSSA-N 434.419 4.987 30 10 IJEE O=C(/N=C(/NC[C@H]1CCCO1)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 46130718 OLXDCANONDRSLF-QGZVFWFLSA-N 425.838 4.736 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 59020316 KSOVYKYAONZONF-KSEXSDGBSA-N 435.340 4.678 30 10 IJEE CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 59490377 NRUURLPHPHXFAA-IBGZPJMESA-N 445.972 4.709 30 10 IJEE CCc1nc2sc(C(=O)Nc3ccccc3C)c(C)c2c(=O)n1Cc1cccc(C#N)c1 96529144 NNYYXZJJGQNZBM-UHFFFAOYSA-N 442.544 4.810 30 10 IJEE CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@@H]1CC(=O)N(c2cccc(OCC)c2)C1=O 105536017 NCHXROXCBXRASC-LJQANCHMSA-N 445.972 4.709 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169925967 JRTLARWPUWTYHC-XMMPIXPASA-N 449.466 4.831 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(C)c1 169970510 SAVVLRNMNNLKGI-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170041356 SEKVPPQMZATVRB-OAQYLSRUSA-N 437.879 4.980 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(C)o2)c(C)c1 170099800 VDBLMHHWVMRRJE-HSZRJFAPSA-N 446.503 4.754 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170199625 BNIJIOQSQVDTBS-LJQANCHMSA-N 426.806 4.796 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)c(C)c1 170228011 OFAZYBUXPDJWRD-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 170251529 JSZDARPWQSFPEI-QFIPXVFZSA-N 437.467 4.508 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccc(O)c1 170263308 DHFKAJIBTIVDIZ-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2C)cc1 170272469 OKQTYGCNFCSXBI-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccco1 170290759 OVZLBYWAJBVXQK-FQEVSTJZSA-N 439.414 4.966 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1sccc1C 170319255 LGLRODLTAJMPCT-IBGZPJMESA-N 429.538 4.842 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccccc2)cc1OCC 170371846 ZFBGWJCMFQNMRX-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 248265445 SHZJQXCNNPWREO-IHJXWSBQSA-N 435.955 4.862 30 10 IJEE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C 253532964 GUERPVMWCQXYEU-SPRYVOEYSA-N 444.656 4.820 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)c3ccc(Oc4ccc(F)cc4F)cc3)[nH]2)c1 492054304 LNAMJTAFHLTYPE-UHFFFAOYSA-N 430.414 4.949 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 508866983 NPDIIUUGJHVBRH-UHFFFAOYSA-N 427.883 4.820 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 509001155 MAJBYAGERPMVJQ-VWLOTQADSA-N 448.592 4.791 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2)c(Br)c1OC 526798984 DINCIAQPZPQHSQ-NHDPSOOVSA-N 447.358 4.541 30 10 IJEE CCN1C(=O)CCc2cc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)ccc21 545400430 RORPMTQCHMACLK-UHFFFAOYSA-N 425.488 4.689 30 10 IJEE Cn1cc2c(n1)CCC[C@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 554857682 QXPAOLLGOAGYQE-HXUWFJFHSA-N 435.915 4.723 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 555240335 LBXJENPQVJCSOR-DLBZAZTESA-N 431.378 4.537 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 555258427 AYOFNZLLEXEFBK-UHFFFAOYSA-N 444.023 4.573 30 10 IJEE N#Cc1ccc(N2CCC(NC(=O)c3csc(-c4cccc5ccccc45)n3)CC2)nc1 611492937 LEJHCUMNYMZPLQ-UHFFFAOYSA-N 439.544 4.629 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 679647293 WMSJYTIAVOQFIS-NRFANRHFSA-N 431.540 4.556 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(C)C)cc1 742214427 FECCWCBQOJKJQT-JOCHJYFZSA-N 449.576 4.889 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1cccc(-c2noc(C3CC3)n2)c1 745613880 ZEXBDBRGLPKPEH-UHFFFAOYSA-N 435.505 4.688 30 10 IJEE N#C[C@H]1CN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CCN1Cc1ccccc1 761745982 HXJFTPJOKDNKSV-SCWSXOCZSA-N 433.861 4.522 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1cc(Br)ncc1F 762418050 MQFYCUQPGCMYIQ-UHFFFAOYSA-N 428.187 4.781 30 10 IJEE C=CCc1ccc(OC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c(OC)c1 799296833 IKDRUNCFNDIROT-OFVILXPXSA-N 432.520 4.909 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 802563035 HUHOPUNNLSLXSN-UHFFFAOYSA-N 432.446 4.621 30 10 IJEE O=C1C(=NN(Cc2ccccc2)c2ccccc2)c2ccccc2N1CCN1CCCCC1 1084539748 FCQOCDKSEZMPBU-UHFFFAOYSA-N 438.575 4.930 30 10 IJEE COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1124650320 CQLLRZQAFANGGA-NRFANRHFSA-N 446.890 4.744 30 10 IJEE C=C[C@@H](CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)c1ccccc1 1128411144 CQZJQKHUSWFKAH-KRWDZBQOSA-N 431.349 4.592 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2nnc3ccc(Br)cn23)cc1 1129010963 HHTPZVXCLUPLCF-UHFFFAOYSA-N 448.280 4.717 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2)c1ccc(Br)cc1 1129609372 SWGMHZITOROITG-HXUWFJFHSA-N 434.337 4.536 30 10 IJEE C=CCn1c(SCC(=O)N(CC)[C@@H](C#N)CC)nnc1-c1ccc(Cl)cc1Cl 1134208038 BLBGWAPLRWAFEW-CQSZACIVSA-N 438.384 4.681 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccc1 1140440488 UIMBBWVXBWPERC-SVBPBHIXSA-N 431.624 4.545 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 1147166178 NFLFHAXTEJGILD-UTKZUKDTSA-N 430.545 4.800 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)c1ccc(Br)cc1 1159634216 JYMMGQJPJISWDH-HSZRJFAPSA-N 449.348 4.702 30 10 IJEE C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(Br)c(C)cc1Br 1195651940 IQNGNUSWPXTEFR-LBPRGKRZSA-N 437.197 4.639 30 10 IJEE COc1ccccc1C1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCC1 1199244757 GLAQKKUFFXUPBA-UHFFFAOYSA-N 428.492 4.998 30 10 IJEE C#Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(Cl)c1 1220234694 IMYNHQRJBMKLJM-QAPCUYQASA-N 441.881 4.509 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCC(c3ccccc3)c3ccccc3)CC2)c1 1220853729 CSLWQDXDBDXQPF-UHFFFAOYSA-N 438.575 4.654 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)cc1 1248612748 YBGBZKLTCLSNHM-QFIPXVFZSA-N 438.568 4.966 30 10 IJEE C#CCN(C(=O)c1cc2c(s1)CCCC2)[C@H]1CCOc2ccc(Br)cc21 1265209243 XROJWPWYTOLTSD-KRWDZBQOSA-N 430.367 4.989 30 10 IJEE Cn1cc(CCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c2ccc(F)cc21 1269865781 HVJGFFPOUSUOFF-UHFFFAOYSA-N 427.479 4.741 30 10 IJEE C=CCCC1(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCCC1 1279011581 REXQYGDCFWGWOM-SFHVURJKSA-N 434.527 4.783 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1coc(-c2cccs2)n1 1286296604 QMBUGJJMFQIMGY-OAHLLOKOSA-N 437.956 4.745 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)Cc1cccs1 1286303328 BWCYVTFUPYYUTA-QZTJIDSGSA-N 440.638 4.977 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCSCC(C)C 1286438646 HJWGERIXTAYMRD-UHFFFAOYSA-N 433.625 4.679 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1286496301 POAHNZZPBQCBHB-HNAYVOBHSA-N 436.984 4.528 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)C)C1 1286558746 QQLLWOPXBJCPGI-MZKRTTBSSA-N 429.008 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCCC1(C)C 1286583093 IXPWRAPFQUXIGE-RUZDIDTESA-N 426.605 4.818 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1286600424 MTYPMGHNQUTOSD-QGZVFWFLSA-N 434.531 4.710 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1286648562 FZROZPUUXHHGNF-REWPJTCUSA-N 437.632 4.751 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2CC(OCC)C2)CC1 1286650255 ZWJFEORVKOKWJU-UHFFFAOYSA-N 430.980 4.872 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286655428 MKIROVGQNYDHRT-OAQYLSRUSA-N 435.616 4.560 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286668911 XFMHZWYDIUMDJQ-KDOFPFPSSA-N 448.398 4.569 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1286683116 JLSBENUUBIGYHQ-IAGOWNOFSA-N 448.036 4.548 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](OC)C(C)(C)C1 1286694100 KYYRCXVIYASLKO-AWEZNQCLSA-N 425.396 4.597 30 10 IJEE C=CCN(c1nnc(Cc2cccnc2)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 1286738061 ZPPPAGPLWPXRJG-UHFFFAOYSA-N 443.473 4.560 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCSCC(F)(F)F 1286749659 XCNXNHFHPIDCKX-OAHLLOKOSA-N 446.564 4.722 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](C)N(C)C)C1 1286802393 AVFTZCBLOQUBMK-CVEARBPZSA-N 446.020 4.545 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCCC1CCOCC1 1286960336 DQVKSROTYYLSHN-MRXNPFEDSA-N 446.393 4.510 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2C)c1 1292248543 JWTSSEZBZXZRBN-UHFFFAOYSA-N 431.557 4.635 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1cc(C#N)ccc1NC1CC1)Cc1ccccc1 1296943961 CJKGQRFGYUWHBU-HXUWFJFHSA-N 434.540 4.597 30 10 IJEE COc1ccc(-c2cnc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2C)cc1 1298651196 CCMWKICXSKQXNZ-UHFFFAOYSA-N 438.487 4.799 30 10 IJEE COC1(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1299791048 HAVQLXCTXUWAOF-FQEVSTJZSA-N 449.983 4.625 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(F)cccc1Cl 1300900844 IUBYETGBYIHEHR-JOCHJYFZSA-N 436.959 4.562 30 10 IJEE C=C(C)Cn1c(N2C[C@@H](C(=O)NCCCC)CC[C@H]2C)nnc1C1(c2ccccc2)CCC1 1300965667 VGTLTOWXHHBSQI-YADHBBJMSA-N 449.643 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccccc2C)CC1 1301070564 PKBDSPXQUCGXGZ-UHFFFAOYSA-N 442.361 4.580 30 10 IJEE C=CCCCCn1c(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)nnc1C(C)(C)C 1301198281 FPIBSVVIKACHCZ-UHFFFAOYSA-N 448.615 4.909 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1301211306 FGNGXUFBGPSCPJ-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC(F)(F)F 1301270235 FJKXNBVRTLYFPH-UHFFFAOYSA-N 433.478 4.901 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC12CCC(CC1)C2 1301294000 KEMIYRNUCSYUEZ-SZTYLXMGSA-N 429.609 4.595 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@@H](F)C1 1301405730 JOSACVNDMXVCTM-SJLPKXTDSA-N 429.927 4.960 30 10 IJEE C=CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1CC1 1306820636 GPXMDZHGEIVGIL-UHFFFAOYSA-N 425.337 4.585 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)n(-c2ccc(F)cc2)c1C 1307636078 CADVZSBZTCCLRR-AWEZNQCLSA-N 426.442 4.672 30 10 IJEE C=C(C)COc1cc(CNc2cc(F)cc(CNC(=O)C(F)(F)F)c2)ccc1OC 1308483843 HWZSHUYRPSOCNS-UHFFFAOYSA-N 426.410 4.580 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 1311377089 ZAAMMMQRRWTITK-UHFFFAOYSA-N 442.563 4.864 30 10 IJEE CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(c2ccsc2C#N)CC1 1312187998 ARLWQOSUYULCHY-IBGZPJMESA-N 426.586 4.637 30 10 IJEE COC1(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)C[C@@H](C)C#N)CCC(C)CC1 1315269203 BMXCCSLQTQJARL-CSKUQDPHSA-N 447.587 4.526 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2Cc2cccs2)C1 1327190014 GQTYZWAXVWTZLC-SFHVURJKSA-N 431.565 4.693 30 10 IJEE C=CCC1(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CCOCC1 1350339624 IXONWGHTKUVSTJ-NRFANRHFSA-N 445.028 4.990 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)cc1 1354556337 NOGZDRCCZFGTJU-RUZDIDTESA-N 427.500 4.873 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)cc(Br)c2F)cc1 1356330010 NEFBNABUNDXHFH-UHFFFAOYSA-N 431.305 4.963 30 10 IJEE C#CC[C@]1(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CCCN1C(=O)OC(C)(C)C 1358397109 ACBXIEJTXIWSGQ-OAQYLSRUSA-N 446.960 4.590 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](OC)C(C)(C)C 1358986334 UUOYINOSUTYYAY-WIYYLYMNSA-N 442.991 4.596 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1Cc1cccs1 1359059405 MLYMDKFTJRYHPB-GOSISDBHSA-N 428.652 4.570 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359123499 RHEIMIAMFRPVSO-UYAOXDASSA-N 431.625 4.717 30 10 IJEE C=C1CCN(c2nnc(CC(C)C)n2CCc2ccc(OC)c(Br)c2)CC1 1359165983 BFDXKHZANBZIMP-UHFFFAOYSA-N 433.394 4.647 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1359174416 CCTASPVSACKYOW-MRXNPFEDSA-N 445.995 4.914 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCC(C)CC2)CC1 1359176301 SILSGZUQPMZTKL-UHFFFAOYSA-N 444.023 4.741 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359177119 AYIBXPVGYKAWEA-NHCUHLMSSA-N 436.648 4.809 30 10 IJEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1359197292 KETXPFOYFJTLFK-JOCHJYFZSA-N 437.588 4.611 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359199124 LOYRTENCDDZFDD-YZGWKJHDSA-N 445.405 4.925 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](CC)C1 1359210419 SDTZTYPHIUAOMN-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1359260097 SMSJUZLHUFESQS-PMACEKPBSA-N 443.567 4.592 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1359262542 WZZLANPYEUTXQL-HSZRJFAPSA-N 437.613 4.686 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(F)cc1 1359290492 DALNMDFSPLPPRF-APWZRJJASA-N 429.540 4.873 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)SC)C1 1359313311 JWVVDBUMQDNLQH-YZGWKJHDSA-N 430.618 4.568 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(Br)cc2)C1 1359314104 WCEYSMJUWDCYFH-APWZRJJASA-N 433.394 4.578 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccnc(SCC)c2)C1 1359315697 ABUIGFFANDKWMS-QFIPXVFZSA-N 449.624 4.844 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1ncc(-c2ccccc2)[nH]1 1442315608 WMTBNLJHDJFEIU-SJORKVTESA-N 432.952 4.680 30 10 IJEE C#CCN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1455812557 WXOLPGCXFQEEEM-ZEQRLZLVSA-N 432.564 4.805 30 10 IJEE COc1ccc([C@@H](NC(=O)c2ccc(C#N)s2)c2ccccc2)cc1Br 1456033227 APRNPKMBUSMVTN-IBGZPJMESA-N 427.323 4.910 30 10 IJEE C=CCn1cc(CNC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)nn1 1461057896 JINJMOBKXVAEIH-LJQANCHMSA-N 433.364 4.921 30 10 IJEE CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)[C@H](C)C#N 1461791079 DVONUYLVOQOBFU-CYBMUJFWSA-N 440.400 4.761 30 10 IJEE C=C(C)[C@H](N[C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)c1ccc(F)c(F)c1 1462108729 BGGHUDHZPJGPKV-IMRHEYAYSA-N 430.495 4.598 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccccc1 1463272561 GDNMJCSKERXCMK-AREMUKBSSA-N 433.371 4.903 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1468788242 VTQXUTZRTMCVRG-QFIPXVFZSA-N 428.598 4.698 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCCc1c[nH]c2cccc(Br)c12 1470411106 XNOVOSXXPWYFRI-GOSISDBHSA-N 426.358 4.960 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1F 1470666322 LUXSOQOFSZLLIM-RLIDHQHUSA-N 439.962 4.753 30 10 IJEE C=CC[C@@H](C(=O)NCc1cc(Br)cc(Br)c1N)c1ccccc1 1471956253 XEHCFHWKDKDINP-OAHLLOKOSA-N 438.163 4.770 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c(C(F)(F)F)c1 1475400748 BVNUTHLRJCHKPX-ZBFHGGJFSA-N 428.863 4.845 30 10 IJEE CCCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1475954427 DODXLXQPEJGDLL-NRFANRHFSA-N 444.491 4.829 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 1476729332 RZHUHXPLXYQGHZ-MRXNPFEDSA-N 444.373 4.582 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1478245175 HVGWMSHZMFMKLI-LOSJGSFVSA-N 426.516 4.577 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCC[C@@H](C)C1 1507545976 HRGDCSZCCOGUDZ-YADHBBJMSA-N 439.673 4.849 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1Cc1sccc1Br 1507698238 RNLRRZCLHPSZLM-UHFFFAOYSA-N 429.387 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCCN1CC 1507819553 RJEQCIQDQLRKDR-OAQYLSRUSA-N 433.604 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@](C)(O)c1ccccc1 1507822980 BSWGSFGXNJETFR-DRLORSAXSA-N 440.632 4.897 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N(C)Cc1nc([C@@H](C)SCC)no1)c1ccccc1 1507853457 DOWDLEJFVYGGPA-QGZVFWFLSA-N 426.590 4.948 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1507868938 JJLDIUNCGKEXDV-HXUWFJFHSA-N 428.989 4.823 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1507904314 MGHUELSFHIBZNK-ZEQKJWHPSA-N 438.616 4.822 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1507911302 KFKSBIIBGRIZSV-XFAGBWLFSA-N 445.007 4.974 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1Cc1ccnc(C(F)(F)F)c1 1507986156 JSNQAXCAAQFLOX-UHFFFAOYSA-N 449.502 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC[C@@H](OC)C(F)(F)F 1508006627 IQDJGZILXXALER-QGZVFWFLSA-N 437.491 4.562 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@@H]1OC 1508012430 WGJUDIHBOAQXAD-BEFAXECRSA-N 449.368 4.840 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C 1508015025 ZTLDLSRSMCLPCI-RTWAWAEBSA-N 431.669 4.569 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)CN(C)C 1508410204 DNGHIQVTRWRLES-HNNXBMFYSA-N 445.036 4.997 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1 1519805299 CUMWFCQTJSVQPB-UHFFFAOYSA-N 427.504 4.787 30 10 IJEE CSC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1519914287 ALVOTFVFIAXVGC-GOSISDBHSA-N 440.375 4.980 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)c1ccccc1 1520010448 AOSGVUGPIKGTEY-GHTZIAJQSA-N 441.369 4.934 30 10 IJEE CC[C@](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)(C(=O)OC)c1ccccc1 1525728228 HHLGGIGLMBLHLD-RUZDIDTESA-N 430.529 4.918 30 10 IJEE Cn1cc(CNC(=O)CSCc2ccc(C(C)(C)C)cc2)c(-c2ccc(C#N)cc2)n1 1528593034 CAEVVFWPNYBSCG-UHFFFAOYSA-N 432.593 4.806 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1coc(-c2ccccc2Cl)n1 1531612896 PPCZQIGBUWMIGV-UHFFFAOYSA-N 427.840 4.738 30 10 IJEE C=CCC1(CNC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)CCCC1 1532539331 YFYDISPMEYUOBJ-UHFFFAOYSA-N 426.542 4.524 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nccc(-c3ccc(F)c(F)c3)n2)CCCN1C(=O)OC(C)(C)C 1538040199 LRXGNCYIDPBNBP-QHCPKHFHSA-N 444.482 4.706 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1539077609 GFQAHNSPDYVSAC-UHFFFAOYSA-N 442.592 4.603 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCCCC1 1539120199 SARQFVSUSQHKHF-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]32)c1 1539458364 LYHZSTWIHCOPOJ-LDQXTDLNSA-N 444.984 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC(F)(F)C1 1539541086 YBZULPOFGMHHAA-YCRPNKLZSA-N 436.453 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@@H](C)C1 1539620564 MBGXWZRRAGDRFT-MSYCTHLASA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCSC1(C)C 1539651161 AQCQIPRHGHVYSL-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCCCC)CC1 1539836754 YFDNAORSDIGTPN-UHFFFAOYSA-N 428.540 4.595 30 10 IJEE C=CCCOCCn1c(N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C 1540042048 KFFNDSSWHSNWLI-GMAHTHKFSA-N 439.648 4.658 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccccn1 1540048362 UQVKTCVDGJWGSY-SFHVURJKSA-N 425.964 4.948 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(OC(C)(C)C)nc1 1540048982 DQOTYIZWKZNNOC-KRWDZBQOSA-N 439.535 4.800 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1540161783 JCYVXXMTGBROEH-DENIHFKCSA-N 438.572 4.694 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC(F)(F)F)C1 1540883874 GFPMVRWYKPCALO-HZPDHXFCSA-N 442.457 4.681 30 10 IJEE C=CC[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C(=O)OCC 1556154268 XDACQZBTTGKPGJ-QGZVFWFLSA-N 436.277 4.618 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 1557171535 VQAZMXKIHWPBLV-INIZCTEOSA-N 425.326 4.577 30 10 IJEE C=CCn1c(SCCOc2cc(F)cc(Br)c2)nc2sccc2c1=O 1559333080 DVJSWAJASLGNIX-UHFFFAOYSA-N 441.347 4.717 30 10 IJEE C=CCn1c(SCc2ccc(Br)cc2[N+](=O)[O-])nc2sccc2c1=O 1559333271 LJOFBJWGSHWNBG-UHFFFAOYSA-N 438.328 4.607 30 10 IJEE C=CCC1(O)CCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1 1560155497 MYDLJCSZQAYADG-UHFFFAOYSA-N 445.357 4.583 30 10 IJEE C#CCN(C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@H]1CCCc2ccccc21 1562344696 XHSRTURXBYXFFB-VWNXMTODSA-N 446.551 4.532 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1564195985 OKFXNJSGRCBAOE-FYYLOGMGSA-N 426.582 4.628 30 10 IJEE C#CCN(C(=O)NCc1cccc(CC)c1)[C@H]1CCOc2ccc(Br)cc21 1565009186 NYYGMDHASGZTFU-FQEVSTJZSA-N 427.342 4.680 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1 1584642011 QKAAOGNYYZLJTQ-UHFFFAOYSA-N 434.240 4.730 30 10 IJEE CCCOc1c(Cl)cc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1OCC 1584712345 BJHKBAJDKXIGIV-UHFFFAOYSA-N 442.878 4.976 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(C)OCCc2sccc21 1587574230 DQMYUMQGGVZOTD-OYHNWAKOSA-N 426.973 4.606 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCCCCSC 1587926630 BGTLQLLTBYNROK-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](OCC)C(C)C 1588200672 YZPVYEKZEDDIFY-OAQYLSRUSA-N 430.955 4.652 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCCS1 1588594563 IROPYLLMFUKNRY-IEBWSBKVSA-N 444.670 4.503 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC(C)C 1589027715 SIHFVTXRBLQQRB-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cccs1 1589077825 CCHTUFWLKOOGEF-IBGZPJMESA-N 426.586 4.777 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1594408817 PEDWVJFZTFDDAT-UHFFFAOYSA-N 436.629 4.622 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc(C)ccc2F)nnc1[C@]1(OCC)CCOC1 1594528570 LBSYCEZKSPAWPE-DEOSSOPVSA-N 430.568 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCCN1CCC[C@@H](C)C1 1594906700 KPEAMHJHZHFCFQ-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)nc1 1595161503 BVEZXGDKGUGIBU-UHFFFAOYSA-N 436.972 4.615 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1595343217 HOLGAEWGURGEMP-LJQANCHMSA-N 431.378 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1595700197 LXNSFOUBFCYRIB-WOJBJXKFSA-N 430.618 4.513 30 10 IJEE C=CCn1c(SCc2ccc(C3(C(=O)OC)CC3)cc2)nnc1-c1ccccc1OC 1613215633 QXUAIWVROHGFMW-UHFFFAOYSA-N 435.549 4.637 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2nc(C)c(Cc3ccc(Cl)cc3F)s2)n1 1624821644 NTAPJUZMOQIGSZ-UHFFFAOYSA-N 445.951 4.719 30 10 IJEE C#CCN(C(=O)NCCc1ccc(Cl)cc1)[C@@H]1CCOc2ccc(Br)cc21 1628460522 SWUSHIARNUWDCA-LJQANCHMSA-N 447.760 4.814 30 10 IJEE C=CC[C@H](NC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccncc1 1631878638 RHIJNMUBRRZLNT-LEWJYISDSA-N 442.604 4.958 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 1638616130 DQYGFMYJNBMUPC-GTNSWQLSSA-N 431.241 4.986 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2cccc(F)c2F)CC1 1638968462 QGLNGJGTVAFKKV-KRWDZBQOSA-N 428.907 4.707 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@H]3CCN(c4ccc(Br)cc4)C3)n2)c1 1639433678 AUQDPJLKRHBKON-KRWDZBQOSA-N 436.313 4.594 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(c3ccc(C#N)c(Br)c3F)C2)C1 1651785128 URFDLXZWHSKPJW-HXUWFJFHSA-N 438.341 4.687 30 10 IJEE COc1cc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)ccc1C#N 1651953238 HIFFSAPUWXCYPW-FQEVSTJZSA-N 435.867 4.570 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)cc1OC 1652458438 FOBVLJZCAFRMJZ-IRXDYDNUSA-N 442.959 4.693 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1ccc(F)c(Br)c1 1656427795 PMEAXNDFTXNJTL-UHFFFAOYSA-N 441.138 4.695 30 10 IJEE C=CCOc1ccc(CNCCCN2CCN(c3cccc(Cl)c3)CC2)cc1Cl 1657120800 RVFLNYLJUFWLGV-UHFFFAOYSA-N 434.411 4.860 30 10 IJEE CC(C)(C)OC(=O)[C@](C)(CNCc1cc(C#N)ccc1Br)c1ccccc1 1657627449 BSHBURUMBJUMMS-JOCHJYFZSA-N 429.358 4.710 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@@H](COC)Cc1ccccc1 1662573719 NIOHYJCYUZBHDL-GOSISDBHSA-N 433.346 4.735 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1OC 1662947417 TXGWHEWYRHXQCR-NHCUHLMSSA-N 434.374 4.870 30 10 IJEE C#CCN(C(=O)Nc1ccc(SC(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1665685143 HMTSMFALKVFIIB-UHFFFAOYSA-N 439.528 4.868 30 10 IJEE CCC1(CC)CN(S(=O)(=O)c2cccc(F)c2C#N)c2ccc(Br)cc21 1667852257 GOTRAVPKWLOSRL-UHFFFAOYSA-N 437.334 4.727 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1669191784 MQJAJZSRRCHMIW-FSSWDIPSSA-N 442.604 4.768 30 10 IJEE C#CCN(C(=O)Nc1cnc2c(c1)CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1670190321 LEQGNZAMWPZCFJ-HXUWFJFHSA-N 440.341 4.714 30 10 IJEE COc1cc(NC(=O)N2CCc3c(Br)ccc(Cl)c3C2)c(F)cc1C#N 1671933418 GJTWKYBAOCYJNZ-UHFFFAOYSA-N 438.684 4.712 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCOc4ccc(Br)cc43)cc21 1673312365 VQIOKMYKGFDFMT-KRWDZBQOSA-N 427.302 4.630 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NC1(c2cccc(Br)c2)CCC1)C(C)C 1674145351 GPKVXZZQHPJYCZ-FQEVSTJZSA-N 434.422 4.826 30 10 IJEE C#C[C@H](NC(=O)Nc1ccn(-c2ccccc2Cl)n1)c1ccc(Br)cc1 1675391253 SBOASUUEEKFVPQ-INIZCTEOSA-N 429.705 4.784 30 10 IJEE C=CCC(C)(C)CNC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1675930080 FJRYCGVEZFNGHY-UHFFFAOYSA-N 440.554 4.509 30 10 IJEE C=CCC1(NC(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CCCCC1 1681510521 BJZFPVBHTRZATO-UHFFFAOYSA-N 437.506 4.888 30 10 IJEE C#C[C@@H](NC(=O)N(CCN(CC)CC)Cc1cccs1)c1ccc(Br)cc1 1686919625 JQDOZUSMRNRSOW-HXUWFJFHSA-N 448.430 4.739 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1686920074 SGHPAIPWBCUMGD-MOPGFXCFSA-N 433.733 4.560 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)CC1(O)CCCC1)c1ccc(Br)cc1 1686920494 ZBUNCSMJTYFIOC-NRFANRHFSA-N 441.369 4.640 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)CCOC 1689831287 INCQXAADENBFOQ-QGZVFWFLSA-N 437.613 4.898 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)CN1CCCC1 1689839916 PBPUHEOCOVQUQE-MRXNPFEDSA-N 434.415 4.832 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1689948306 VLYXHLUBZAXEMX-QGZVFWFLSA-N 447.539 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690062606 WGLZTDIYGLADJH-NFBKMPQASA-N 446.599 4.636 30 10 IJEE C=C(Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690325559 AUQNKQDBUSRDEL-GJZUVCINSA-N 438.616 4.905 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)N2CCCCC2)CC1 1690404854 VHMVENLSDTZMJZ-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690452067 WBWKYYNUUZQYFV-RBBKRZOGSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)C1CCC(NC(C)=O)CC1 1690467286 RONXTPWNCNMRJH-UHFFFAOYSA-N 448.615 4.521 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@H](C)C1 1690605838 ZIVIZGRPMLUGHC-QZTJIDSGSA-N 441.963 4.637 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)s2)C1 1690691254 ATJLONHRHGWFJY-AWEZNQCLSA-N 436.368 4.538 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1690733796 NKVPGJUUUSYUKI-SFHVURJKSA-N 443.636 4.881 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 1692369374 CINRLEBFIUXHNB-NHCUHLMSSA-N 434.632 4.810 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccsc2)CC1 1696612318 CFWDEVOXMIGWBC-UHFFFAOYSA-N 448.640 4.850 30 10 IJEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCCC(F)(F)C1 1697581844 CSDOPINZFNUOPR-HTAPYJJXSA-N 447.505 4.535 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1705507613 APNHWXIUMRYSSB-LEWJYISDSA-N 433.600 4.843 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@@H](SC)C1 1705654602 NVBUQVADXZFKES-GOSISDBHSA-N 426.611 4.780 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)Cc1cccs1 1705704928 AQZHFBKWZRKUHL-AUSIDOKSSA-N 438.597 4.579 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CC=C(C(F)(F)F)CC1 1705732466 ADOZFCVUETZIJI-UHFFFAOYSA-N 426.870 4.890 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(COC)CCCCC2)CC1 1705771697 BRZMHLDCDZRZFZ-NHCUHLMSSA-N 430.637 4.950 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](CC)N2CCCC2)CC1 1705777039 VYEYSRNWABXBSN-TZIWHRDSSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@H](OC)C(F)(F)F)CC1 1705779291 CZMPNVLDNKLFHH-FQEVSTJZSA-N 447.505 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1705779546 NBKWYNDFFGZXPB-UHFFFAOYSA-N 443.473 4.818 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(F)(F)F)CC1 1705808092 ZWBUADXKQIKRFE-UHFFFAOYSA-N 432.494 4.652 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1705831831 DXURUZHRHOBCHW-RXVVDRJESA-N 430.980 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1CCn1cc(C)cn1 1705865743 UWUSZUQYAYEVQU-UHFFFAOYSA-N 432.597 4.967 30 10 IJEE C[C@H](CCn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)N1CCCCC1 1706763598 DXMUUHSOPHGHAL-LJQANCHMSA-N 441.023 4.993 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722327673 MZSNQZJBKACOGJ-PXNSSMCTSA-N 435.597 4.652 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)N(CC)CC 1722375255 ALMWLINHOLQXIR-KRWDZBQOSA-N 440.016 4.616 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1722388400 WNLBMRWUPBCTHV-JMJGKCIBSA-N 434.559 4.527 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCN1CCCC 1722404226 VPKYCORVXHBJSS-HXUWFJFHSA-N 444.023 4.721 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1722456351 SMFOLRPPMWUOAZ-UHFFFAOYSA-N 442.629 4.777 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCN(C)CC(F)(F)F)CC1 1722564461 QLTVYHPZPXWYDE-FQEVSTJZSA-N 435.538 4.861 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)COCc2ccccc2)CC1 1722567265 RENAFPRBTWJJCW-LJQANCHMSA-N 437.613 4.643 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722569155 OMHOSGPUDSFLKZ-TZIWHRDSSA-N 443.636 4.813 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1722581077 GWNYLBADALAXOU-GOSISDBHSA-N 433.641 4.915 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@](C)(O)c1cccs1 1722667014 ZJCAVSXFEMXOPK-XMMPIXPASA-N 434.609 4.896 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1740533323 QLOFOGLUNOBOTO-NLWGTHIKSA-N 445.007 4.961 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1740569970 SXMGZHZGIMOQJP-OAHLLOKOSA-N 448.518 4.936 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1740793028 NSWSHYOFUWTJRK-UHFFFAOYSA-N 442.604 4.516 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN(C)C(C)C)CC1 1740833653 VIULWOCQZREKQE-GOSISDBHSA-N 432.012 4.814 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H](C)Cc1cccs1 1740919222 YWSJQYMQUHXLAJ-IBGZPJMESA-N 430.581 4.868 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1741297983 GXGXVMNMMHCKPS-UHFFFAOYSA-N 444.583 4.942 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(SC)CC1 1748651093 IUBXTGWUPIGKFK-LBPRGKRZSA-N 439.810 4.715 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1748731284 ZDSKNHNMULKXBG-WBADGQHESA-N 442.648 4.643 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1749102138 JLNDUGMXOGMCNI-CQSZACIVSA-N 443.748 4.510 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749109834 AEEMPVBNQRKGFM-KGLIPLIRSA-N 439.785 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](COCC)C1 1749120830 HVWHMCNOVBOPKL-VCOUNFBDSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C)CC1 1749135282 DHOWJFMDTJCIIV-PWHSHALESA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(C2CC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1749226059 MXNIORHFENMQDF-HNNXBMFYSA-N 431.378 4.634 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1749288103 MGXUPJQUQXIUSD-UHFFFAOYSA-N 433.556 4.731 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1CC 1749398580 LHFZPVOKCKOCHU-WIYYLYMNSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@H]1CCCn2ccnc21 1749531443 KSMZKZIQTORHKV-SIKLNZKXSA-N 429.572 4.630 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1749582283 GYIAGKLZJWWAGD-ALGQRKQJSA-N 441.620 4.663 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C1 1749718012 AALRSOOZTOBYNO-PMACEKPBSA-N 449.020 4.578 30 10 IJEE CC(F)(F)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1 1751180842 HCSRXWDZPFGTJC-OAQYLSRUSA-N 426.471 4.775 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1760164704 YKMQYYWAVCGGPA-FUDKSRODSA-N 438.616 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H](SC)C(C)(C)C 1760295863 KDBIIDNBPRTXAG-AUSIDOKSSA-N 432.584 4.917 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C[C@H]1CC=CCC1 1760310821 DMDPJQWGCUUXPY-IBGZPJMESA-N 445.405 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCc1cccc(C)n1 1760328776 DFUMQQHPKBNJMZ-UHFFFAOYSA-N 446.599 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)c(COC)c1 1760331014 IFVUPFFPOZDVMW-UHFFFAOYSA-N 429.927 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNC(=O)OC(C)(C)C 1760340152 LVSUZJMQVXACSY-RTBURBONSA-N 449.640 4.514 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1c1ccco1)c1ccccc1 1760360803 MYPSAZHUERWMFP-NRFANRHFSA-N 433.556 4.844 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncccc1N(C)C)C1CC1 1760469370 GRVWELQTSCBIGL-UHFFFAOYSA-N 430.600 4.907 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)c1nccs1 1760482984 YYEUVQDDVOXMMW-GOSISDBHSA-N 447.612 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCC(=O)N1CCCCCC1 1760484237 ROOUZVSDWFIGEB-UHFFFAOYSA-N 429.634 4.622 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCOc1cccc(Cl)c1 1760487139 KCIBYTKGMGNPQU-QGZVFWFLSA-N 444.988 4.769 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCO[C@@H]2CCCC[C@H]2C)c1 1762008826 CYTYJVWNOGIPOM-NFBKMPQASA-N 437.588 4.501 30 10 IJEE CCCC(O)(CCC)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1763890208 DRPCDHNNAPJRPB-DENIHFKCSA-N 439.604 4.572 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2cccnc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1771543997 HHKPWXAEQYULFC-OALUTQOASA-N 432.494 4.688 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCOC(C)C)cc1 1862413349 AQPYPJWXLMQLCG-OAQYLSRUSA-N 429.463 4.531 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccncc2)cc1 1862413978 PGAPWUSFMBPQHH-JOCHJYFZSA-N 434.442 4.701 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc3ccccc23)ccc1F 1862506332 ZASWYZSJGRGWMR-DEOSSOPVSA-N 446.522 4.817 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862535278 XYQXIGRILLZFIX-QHCPKHFHSA-N 442.471 4.936 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862558890 BZVBTYBTIILSMA-NRFANRHFSA-N 434.517 4.508 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(F)cc2F)c1 1862561926 ZOSJVINKQNPPDN-HSZRJFAPSA-N 448.469 4.758 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1O 1862677258 BTKIXOLTDKLRNZ-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc(Br)ccc1F 1862683185 HFVKMEYUERJOAK-QGZVFWFLSA-N 436.252 4.716 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036710 BGWSMKJOCDLXSW-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(c2cccc3c(O)cccc23)C1=O 1863110896 MPASXMWFBYLYGI-UHFFFAOYSA-N 437.480 4.875 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2ccc(F)cc2F)C1=O 1863319444 NRAOSUHWVSRFDZ-UHFFFAOYSA-N 447.279 4.722 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)C(c1ccccc1)c1ccccc1 1870105203 GDYNGMQIYABSSN-UHFFFAOYSA-N 427.895 4.622 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870838498 GUPJGIJMVVGHHU-UHFFFAOYSA-N 442.478 4.701 30 10 IJEE COc1cc(NC(=O)COc2cc(C)c3c(c2)OC(=C(C)C)C3=O)c(OC)cc1Cl 1871428866 XSJZHXAMNKAEOL-UHFFFAOYSA-N 431.872 4.552 30 10 IJEE N#C[C@H](C(=O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872765986 AIWDVFCRSUTOIH-GOSISDBHSA-N 449.919 4.716 30 10 IJEE Cc1ccc(-n2ncc(N/N=C/c3c(O)ccc4ccccc34)c(Br)c2=O)cc1 1873526318 YOQIPVUEQDWFDO-WYMPLXKRSA-N 449.308 4.608 30 10 IJEE OCCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1Cl 1874284781 XWJHTQXSAYIRQU-OEAKJJBVSA-N 435.380 4.727 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1/N=C/c1ccccn1 1874289287 WSTTYYLHDCCOLT-CVKSISIWSA-N 445.548 4.744 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874342679 CLSOTUDMNQURBZ-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(C)c2)o1 1874428143 UEBRCMDLHWTALD-ZVHZXABRSA-N 432.505 4.808 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)OCC(C)C 1874440758 RGKKKHBLEMGFFC-ZVHZXABRSA-N 446.617 4.829 30 10 IJEE Cn1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)c2ccccc21 1874442415 BLEUGOMPBMWSLS-LHXREVONSA-N 435.528 4.935 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)c(OC)c1 1874458208 BDBJUAMCENNJLX-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CCCOc1c(/C=N/n2c(S)nnc2CCc2ccccc2Cl)cccc1OC 1874566239 OXNMTCOWHYAHCO-OEAKJJBVSA-N 430.961 4.685 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)c1 1874695163 NJLKAUZDAMDTAT-PKNBQFBNSA-N 433.416 4.727 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875094691 DTBKMHVOZHQJCG-CSKARUKUSA-N 448.387 4.627 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)C3CC3)c([N+](=O)[O-])c2)cc1 1875130956 ZUEIJDNUAYCUEF-LFYBBSHMSA-N 425.437 4.604 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc3ccccc3c2Br)CC1 1890373419 HMXZDYOUNKYKEJ-UHFFFAOYSA-N 449.352 4.610 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)cc1 1890930999 DVYONMNTMAPEFP-UHFFFAOYSA-N 434.503 4.975 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)CSc3ccc(Br)cc3)C2)OC1(C)C 1965478367 XLWWYMHTTYGXEJ-CQSZACIVSA-N 440.212 4.626 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 1988813775 FALHFSICQPFFKJ-TXXWUTRGSA-N 425.545 4.652 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCN(CCCB2OC(C)(C)C(C)(C)O2)C1 2044524209 CEONRYJAQLISPY-UXHICEINSA-N 436.446 4.970 30 10 IJEE Cc1nc(N(Cc2ccccc2)[C@@H](C)c2cccs2)ncc1B1OC(C)(C)C(C)(C)O1 2052611265 RMAIAYYJERGUON-SFHVURJKSA-N 435.402 4.914 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(F)c2F)C2CCC2)c(I)c1C#N 2079855215 MTOLRTUJQPUDGG-KRWDZBQOSA-N 441.263 4.898 30 10 IJEE N#C[C@H](C(=O)c1ccc(Br)cc1I)c1ccsc1 2086150022 VVVQFSJRWWWGTI-NSHDSACASA-N 432.080 4.605 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 2159127394 GGRHZDKESNESGP-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc(Br)cc(F)c3C#N)[C@H]2C1 2163687629 FVJYFHOFVNSMTL-YLQAJVPDSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CN(c2cccc(Br)c2C#N)C2CC2)CC1 2174811404 XNBMLBFVCMKMJW-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)NCCC1(C(=O)Nc2cc(Br)ccc2C#N)CCCC1 2181109732 HWOLBRVWKHEUKI-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(C)nn(C)c1Br 2197531285 CLKDSZYRDXSIJI-AWEZNQCLSA-N 435.322 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](Oc3cc(Br)cnc3C#N)C[C@@H]2C1 2204111985 BDJFEFUSPHZPMO-LZWOXQAQSA-N 436.350 4.520 30 10 IJEE C=CC[C@@](C)(O)C(=O)c1sc(Br)c(Br)c1Br 2212190248 VGCXUTPAILYZGU-SNVBAGLBSA-N 432.959 4.545 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@@H](N)C#Cc2ccccc2Br)s1 2227491928 YFAUZENMSARJPK-AWEZNQCLSA-N 436.375 4.564 30 10 IJEE CCCC1([C@H](N)C#Cc2ccccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2235721761 BRFSEFCNUBNXNC-LJQANCHMSA-N 435.406 4.945 30 10 IJEE C#C[C@]1(Oc2ncc(C(F)(F)F)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2240998076 UNXSXMQZUAGKOC-KRWDZBQOSA-N 449.267 4.645 30 10 IJEE Cc1cnc(N[C@H]2CCN(Cc3ccccc3)C3(CCC3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241063678 RQQQECMBUYNCCK-QFIPXVFZSA-N 447.432 4.688 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2255656514 BPYXOMNZIARJBB-UHFFFAOYSA-N 430.354 4.585 30 10 IJEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2267487238 BXMPMQJOLVPXCR-LJQANCHMSA-N 437.389 4.681 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2267501937 FYYPFTOYABUCTP-INIZCTEOSA-N 444.381 4.515 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267565511 PERDHFXMARIQRM-SHTZXODSSA-N 446.353 4.853 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2289693973 RIAATCDYQSMVQJ-PMACEKPBSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](N)C#CC1CCCCC1 2289694435 WARQYCMWMWFTMS-VQTJNVASSA-N 435.406 4.796 30 10 IJEE C=C(C(F)(F)F)[C@](C)(OCCCN)c1cc(Br)c(Br)s1 2293267469 ZCLPRKPSTKLWJU-NSHDSACASA-N 437.119 4.972 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 2296218286 CJLYFJUFADKNEM-GOSISDBHSA-N 433.390 4.616 30 10 IJEE CC(C)(C)OC(=O)NCc1ccccc1CC(=O)C#Cc1cccc(Br)c1 2296233696 ZXQDZYMHLXKWTO-UHFFFAOYSA-N 428.326 4.637 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@H](N)C#Cc2ccc(Br)cc2)cc1 2296280219 XXQGAVRCDWTCSM-HXUWFJFHSA-N 429.358 4.568 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C 2296280982 GIWHIAQHVHZWND-WOIUINJBSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2296293239 HJMUGPWDLUSRJS-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE C=CCn1c(C)c(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 2297357968 JPFGXIDAYLZLHO-UHFFFAOYSA-N 433.895 4.764 30 10 IJEE COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(OCc3c(C)noc3C)c(OC)c1)C2 2297509494 YPKSWNVZOYTEJL-UHFFFAOYSA-N 435.476 4.719 30 10 IJEE O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c2OC(=Cc2cc(F)c(F)c(F)c2)C3=O)O1 2297578729 FIYBMFOOTSNOBW-OAHLLOKOSA-N 438.357 4.867 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2306520173 CXZWUANAPYNZES-FHAGJXEFSA-N 428.573 4.554 30 10 IJEE C=CCOC(=O)C=Cc1ccc(OCc2ccccc2C)c(I)c1 2314019457 VXGFKQXHCRTWNU-UHFFFAOYSA-N 434.273 4.921 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1cccc(C)c1C 2320940819 PNJVMJKDQPBVHY-UHFFFAOYSA-N 449.580 4.635 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c(OC)c1 2322901511 FAEQBZDTSJGOEU-IBGZPJMESA-N 445.515 4.856 30 10 IJEE CCCOC(=O)COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC 2323288726 OUZQRICIDJCLMK-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE CCCCN(CCO)Cc1c(O)ccc2c1OC(=Cc1cn(CC)c3ccccc13)C2=O 2324181907 QVKAVBDMDPDYLC-UHFFFAOYSA-N 434.536 4.577 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2324753302 VGHJZOVITVCDMH-UHFFFAOYSA-N 444.439 4.706 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2sccc2C)C3=O)cc1 2325235024 WPNHNTUIWHHORM-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)c1ccncc1 2325720098 JTLPFLINQCMNRB-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2326681387 YQBUJEPZGTWXPQ-UHFFFAOYSA-N 440.916 4.838 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(OC)c(OC)c1 2327482319 ZLEYRENGCFFQEO-UHFFFAOYSA-N 448.495 4.537 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329758407 FNSFFLZTFZWZBC-UHFFFAOYSA-N 432.908 4.536 30 10 IJEE Oc1cccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 2329919014 AUGNVAFBJRODLB-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE COc1cc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)ccc1O 2330851008 YCVGPJCOWJVDTE-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1OCCC 2330880975 NLMKCJSYYNYCJJ-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccccn1 2331017187 AXUKNFMUCIDBCM-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C(F)(F)F)cc1 2331123662 COPXKJSNZRZGTO-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1sccc1C 2331328713 CGMOCSCUKPRRQX-UHFFFAOYSA-N 427.599 4.912 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccccc1F 2331432694 RYEMGRIFGRNYOJ-UHFFFAOYSA-N 439.560 4.791 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339583654 YBGTVLCBDIHCQA-VPHMPFFRSA-N 444.381 4.893 30 10 IJEE C[C@@H](CCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1)CCNC(=O)OC(C)(C)C 2339591156 XTOPBRODZXDCFB-BJRSVTDJSA-N 445.413 4.501 30 10 IJEE C=CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(-c4cccnc4)nc3[C@@H](C)[C@@H]2[C@H]1O 3840626 IIAUCUILGPRUPX-YMHIOETBSA-N 439.625 4.539 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 20881895 BRZCCUXANSYOHR-QAPCUYQASA-N 440.337 4.770 30 10 IJEE CCc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 35421080 KXRYQHIWWHPPPP-SZRHCGQDSA-N 431.517 4.591 30 10 IJEE Cc1cccc(/N=C2/S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2C2CCCCC2)n1 39863668 PXFFYIBMKPTYDV-CJQHRACESA-N 432.549 4.673 30 10 IJEE CCOc1ccc(/N=N/c2c(C)c(C#N)c(=O)n(Cc3ccccc3)c2O)c([N+](=O)[O-])c1 39871226 XBDJKPKNWDUEDC-OCOZRVBESA-N 433.424 4.505 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)C)cc1 40096860 PMBKHBSKQHBTMV-HSZRJFAPSA-N 435.520 4.960 30 10 IJEE CCOc1ccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCc3ccco3)C2=O)cc1 105609237 RBKUJFAHRKHQES-NRFANRHFSA-N 449.532 4.521 30 10 IJEE OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 106401037 UQDUPHDELLQMOV-UHFFFAOYSA-N 436.061 4.946 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2C)cc1 169926667 VPEMYHFIBJVFQD-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccc(O)c2)cc1 170079019 AWPQOKVMEGGRRL-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)cc1 170098227 BKURUGANMGQAGM-IBGZPJMESA-N 432.457 4.681 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(C)c1 170144110 MKNUYPUKXNKEBZ-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccn1)c1cc2ccccc2o1 170169441 MYHOCEUQMVIXGD-OAQYLSRUSA-N 432.382 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccn1)c1cccc(Cl)c1 170169450 XXQAMLNBAVMITI-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)c1 170198263 ORCADXHNHUAQDW-IBGZPJMESA-N 440.908 4.584 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccncc3)oc12 170203538 ZTXPLKWDQQPZBU-OAQYLSRUSA-N 426.428 4.619 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(OCC(C)C)c1 170219164 RRYKJTBPYAOKRX-LJQANCHMSA-N 428.554 4.783 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)c1C 170225832 NKYGZRBYZUPLJI-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)cc1 170227817 HNGSUIPEJXLFQN-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)c1 170233511 AIJKCIMIUWHEBW-QHCPKHFHSA-N 437.536 4.869 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)c1 170250576 JTWLPXOGROTMCN-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C[C@H]1CCCO1 170273524 AGTFITGCFPIXIG-QPPBQGQZSA-N 431.532 4.631 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccco2)c1 170296322 UPHXIJHTHYKHEY-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1cccnc1 170316769 OVQSDBQSHOTVFW-FQEVSTJZSA-N 429.501 4.711 30 10 IJEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3cccnc3)nc2cc1Cl 170482719 ISZOFRITOFXIQM-QGZVFWFLSA-N 427.913 4.778 30 10 IJEE N#Cc1c(N=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)sc2c1CCCC2 254765025 HJXWBUUQLKYPLA-UHFFFAOYSA-N 429.545 4.944 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)c2ccccc2I)C1 309935957 YFUNVDRXQMORHK-DZGCQCFKSA-N 426.298 4.545 30 10 IJEE CC(=O)N(c1nc(Cn2c(C)nnc2-c2cccc(C#N)c2)cs1)c1cccc(C)c1C 428329556 HZMGNLAKKGRNIF-UHFFFAOYSA-N 442.548 4.931 30 10 IJEE N#CCCCCNC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 506502372 AGUUAXUJNRNIBZ-FQEVSTJZSA-N 444.535 4.654 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 508835415 ZRKAPDUHGVQYFQ-NJRQHTIISA-N 449.643 4.800 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 508860960 AHBOBZCOKVNGNH-BTYIYWSLSA-N 442.922 4.899 30 10 IJEE C=CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 508945190 JOLXLRXHPKEBAE-FQEVSTJZSA-N 444.457 4.736 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCc3cccc4ccccc34)cc2)c1 521812661 CHJIIJVQPLDGTD-UHFFFAOYSA-N 435.483 4.801 30 10 IJEE C=CCC[S@](=O)CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 526910899 OJBRXPRZHVSXFA-MHZLTWQESA-N 425.959 4.509 30 10 IJEE Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)Cc3cccc(C#N)c3)cc2)cc1 530673843 WJNYHAQHPRDOKU-UHFFFAOYSA-N 441.531 4.523 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(c2ccncc2C)CC1 531441969 KUNXIQYGZZGONB-UHFFFAOYSA-N 446.364 4.723 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 558994683 ZSXNNKVNXRLHDY-QFIPXVFZSA-N 449.020 4.574 30 10 IJEE N#Cc1ccc(CNC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)c(F)c1 609229262 BHBOFBIZPUPDKG-NRFANRHFSA-N 439.284 4.896 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c(F)c1 609229502 VZOVLPLOUNVHDC-UHFFFAOYSA-N 426.245 4.577 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccccc2)C1 619820639 RGZUIJUBUKPBHL-NRFANRHFSA-N 446.313 4.654 30 10 IJEE N#Cc1cc(NCc2c(Br)cncc2Br)ccc1Br 690205574 UBSPSZBMLWWKCH-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)c1ncc(I)s1 698406847 LOOPYSKNUFTDJF-GFCCVEGCSA-N 447.342 4.882 30 10 IJEE C[C@@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709340751 FJDLEMYMGPDGMU-ODCFSMADSA-N 447.498 4.856 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 724090162 CGWAXDHSZQLJCW-KKSFZXQISA-N 436.557 4.901 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903120 KANBJVUFWPVCRB-UHFFFAOYSA-N 445.592 4.563 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@@H](C(=O)OC)c3ccccc32)c1=S 766364515 LSGLURLBMHYKMS-HXUWFJFHSA-N 434.565 4.700 30 10 IJEE N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 772644342 GVLXMUXAZGAUQQ-OAHLLOKOSA-N 447.800 4.790 30 10 IJEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(Cl)cc1-c1cccc(Cl)c1 790089319 BYPLDHJNQZCFAM-MRCUWXFGSA-N 430.291 4.515 30 10 IJEE C#CCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)[C@H]1CCOc2ccc(Br)cc21 796441366 BYAAHYNOVFOOKU-WWGRRREGSA-N 430.264 4.713 30 10 IJEE CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CC)C1=O 799220598 FJGKDNLXXXZIKE-HXUWFJFHSA-N 425.554 4.764 30 10 IJEE Cc1ccc(CN(C(=O)c2c(F)cc(C#N)cc2F)c2ccc3c(c2)OCCO3)s1 1124986881 BZYLPHXOVAYKHX-UHFFFAOYSA-N 426.444 4.825 30 10 IJEE CC(C)(C)c1ccc(OCC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c(C(C)(C)C)c1 1126549252 DSCSPTIIDMDBLM-UHFFFAOYSA-N 445.567 4.811 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccccc1OCC#N 1127430701 BPYMVAVKENVVCK-IBGZPJMESA-N 431.458 4.739 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1127588695 OXNWWSOPKSVZGC-OYHNWAKOSA-N 439.383 4.834 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(C)(C)C[C@@H]2C)c1 1129918197 ADMPVRRLOKVVDZ-KRWDZBQOSA-N 447.000 4.982 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1131708233 CQTWBMLNXRWQER-GOSISDBHSA-N 444.560 4.616 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)O[C@H]2CCN(C(C)=O)c3ccccc32)s1 1132058725 HNVZPULSVGBVAI-KRWDZBQOSA-N 436.986 4.880 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(Br)cc1F 1160809036 VHVDAGCEUDPLFO-IAQYHMDHSA-N 449.748 4.801 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)[C@H](c2ccccc2)C1 1164379378 HIHMAJMKNHXYJC-DLBZAZTESA-N 432.446 4.787 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)ccc1Cl 1176531964 GONDVXUVCNIYMP-YDIMBITNSA-N 425.960 4.746 30 10 IJEE O=S(=O)(Cc1c(F)cccc1Cl)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1185271086 BLRMJQNNVWNZQX-MYJAWHEDSA-N 441.796 4.808 30 10 IJEE COc1cc(NC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c(F)cc1C#N 1207879505 GZSYVVHDJWNVQN-KRWDZBQOSA-N 436.256 4.977 30 10 IJEE COc1ccc(C2(CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCC2)cc1 1214628707 AHQBTXQLUJFKME-UHFFFAOYSA-N 428.492 4.998 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 1221246933 GKWFDQULRKPSKP-KRWDZBQOSA-N 430.483 4.852 30 10 IJEE C#CC[C@H]1CCCN(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)C1 1222481533 MTJWOQUDFFJCIW-GAJHUEQPSA-N 426.944 4.892 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccc(F)c(F)c1 1234554916 GLNRZVGVVXJPLS-IIMDRIAPSA-N 449.542 4.917 30 10 IJEE N#CCOc1cccc(CC(=O)N2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)c1 1275145504 DANYJAFJYMUOAE-MHZLTWQESA-N 445.607 4.815 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286340292 YSGVWOKHOJVEOL-UHFFFAOYSA-N 449.643 4.739 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(CC)CCOCC1 1286453470 SVVMSDNWUOUAPM-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1286501088 MEGPEINTRKUXLE-AZUAARDMSA-N 442.629 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H](C)CCC 1286553409 UYOHIQZZTTZXMT-FGSXEWAUSA-N 428.577 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2c(CC)noc2C)CC1 1286640392 KAZYBSOXTIHPHA-UHFFFAOYSA-N 442.361 4.771 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286669696 OVAUMDGORVSQDT-UHFFFAOYSA-N 447.583 4.565 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCCN(c2nccs2)CC1)c1ccccc1 1286678287 UREJICWLUSWSBD-OAQYLSRUSA-N 436.629 4.935 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286683979 CXHUEKDHHCBDTM-GOSISDBHSA-N 430.980 4.729 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1286697542 POCDXBZUIMPOPN-RTBURBONSA-N 427.568 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2c(C)coc2C)C1 1286813593 XYCWDYUZLONXBL-HXUWFJFHSA-N 438.597 4.918 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(OC2CCCC2)c1 1300282168 NEWPQZVCOVHIEP-LJQANCHMSA-N 429.568 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nnc1C(C)(C)C 1300895019 LBIXSWZSFYKRSA-IYERYRBDSA-N 442.579 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(F)(F)C1 1300898279 WWLFLWJJPMOFES-XLIONFOSSA-N 434.556 4.705 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC(N)=O)CC1 1301159143 WCYWBSQNSMNVHQ-UHFFFAOYSA-N 441.645 4.573 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCCCCC[C@@H]21)c1ccccc1 1301164078 QCDFBAYFHHWKOG-VJBWXMMDSA-N 435.616 4.935 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1301166309 UAPWBCXEHMUZIX-AABGKKOBSA-N 434.506 4.921 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1301208063 NBQGTSJMTSAUKL-DNVCBOLYSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CC(C)(C)C1 1301367859 UXIOXXWAGKGOFI-ICSRJNTNSA-N 430.618 4.692 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1301612258 WICKOJWWGSAIDU-INIZCTEOSA-N 428.499 4.706 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)c1ccc(Br)cc1 1312371705 IAYJIUHBRWXQGM-QZTJIDSGSA-N 433.733 4.990 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 1312602991 OXEKAOOQHLADIP-HXUWFJFHSA-N 444.373 4.747 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2ccccc2)C1 1344719231 XDNNLMSGFKXFHF-HXUWFJFHSA-N 438.959 4.631 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COc1cc(Cl)ccc1Cl 1352521452 NYBHDQQTTXVYHX-UHFFFAOYSA-N 425.264 4.502 30 10 IJEE C=CCN(C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1 1355007349 DHKVPRUXBOHPEB-CYVLTUHYSA-N 426.538 4.636 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1359020374 AMMVXJPNSLDRIK-AEFFLSMTSA-N 440.897 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cc(C(C)(C)C)no1 1359109775 NZNGHCQCIFMIDQ-UHFFFAOYSA-N 439.560 4.699 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1359122789 XYFZTLJSFWHFSU-UHFFFAOYSA-N 425.596 4.677 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@@H](F)COC)CC1 1359161526 HGRSBCJYYDWZJB-GOSISDBHSA-N 430.524 4.954 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359184663 WGBPYVGQIGEEAE-NRFANRHFSA-N 449.559 4.802 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1359190230 IZZBCTAJXTVZCT-DEOSSOPVSA-N 445.611 4.704 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 1359195396 LSIWXWRJQQDRKW-MOPGFXCFSA-N 436.522 4.994 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1359205535 AZXPJPDNOWGWPM-HSZRJFAPSA-N 434.588 4.905 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1359236072 YEEYAGZVCPJGQP-HRAATJIYSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cc(C)cc(OC)c1 1359263080 OYBRDFJEEFCCRO-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1([S@](C)=O)CCC1 1359268343 MPOGIXHXCHHYLS-ZQHDKMAOSA-N 444.670 4.611 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CN2CCCCCC2)CC1 1359285254 SQRGQJCZNNTIBK-UHFFFAOYSA-N 444.023 4.886 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)c2ccccn2)C1 1359318067 WMNPUEMUXFYCLO-SFHVURJKSA-N 437.975 4.753 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H]2CCc3c(Br)cccc32)CCCN1C(=O)OC(C)(C)C 1359859798 GTQNBVYBPHOGNE-AVRDEDQJSA-N 449.389 4.898 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1360460596 CVROVEKYJGUUNK-LJQANCHMSA-N 449.555 4.604 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(I)cc1 1436690010 UUEHQXUGQMDBOB-IBGZPJMESA-N 449.332 4.754 30 10 IJEE COC(=O)[C@](C)(CNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccccc1 1459068773 AEONNDMWYUUIHB-AREMUKBSSA-N 428.488 4.520 30 10 IJEE C#C[C@@H](C)N(C)C(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1459679370 BTQXMWMTOZVCQB-OAQYLSRUSA-N 448.588 4.522 30 10 IJEE CCc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CC[C@@](F)(C#N)C3)n2)cc1 1459948928 GAOAVVJXPHYOGC-ZJSXRUAMSA-N 434.540 4.990 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1ccc(Cl)cc1F 1460790264 SGXJUGJNTSJNJI-GOSISDBHSA-N 432.680 4.532 30 10 IJEE C#C[C@@H](NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CCOCC1 1461711360 LJPHTGAYYSOLEN-GFCAVMEOSA-N 446.572 4.780 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H]2CC(C)(C)OC2(C)C)nnc1-c1ccc(Cl)cc1 1463004693 HNULGPWXPVSBMU-MRXNPFEDSA-N 449.020 4.587 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 1464657528 UGYHOVILFITBKA-AREMUKBSSA-N 432.514 4.828 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1 1466315542 LHOZSKFMIMCLEC-UHFFFAOYSA-N 431.577 4.685 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br 1470787144 SWMDWOHULCVQLY-AYDFFVQHSA-N 434.216 4.659 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC2CCCCCCC2)C(C)C)nc2ccccc2c1=O 1472924417 UGYOEHBOVMZMPG-NRFANRHFSA-N 427.614 4.928 30 10 IJEE C=CCc1cc(CN[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc(OC)c1O 1474085003 CHKVYMVKROYVJS-OFNKIYASSA-N 446.950 4.762 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1475835469 OVKKNQMHBDYZAO-QUCCMNQESA-N 449.617 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ncc(CC)s1 1507523344 NLZBFFXKQCQHIO-AWEZNQCLSA-N 444.402 4.541 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1507685959 YSWAMCABEAFXBV-HXUWFJFHSA-N 430.618 4.590 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1cccnc1OCCC 1507700525 RAKLETUDCKMKHA-UHFFFAOYSA-N 433.531 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccco1 1507796766 QJVJBBDUUVRVMN-YWZLYKJASA-N 430.911 4.948 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](CC)N2CCCC2)CC1 1507877688 AANFVEQFYFJMLX-SFHVURJKSA-N 444.421 4.738 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCSC(F)(F)F)CC1 1507877819 GXVQEPQFNNNGRM-UHFFFAOYSA-N 442.507 4.762 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(Br)cc2)CC1 1507899487 JGLDTBOBEKAQRX-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1507902258 DAEQWYJOLPDXJI-PWRODBHTSA-N 430.637 4.804 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507922468 BEWHODUFTRKMMT-HSZRJFAPSA-N 431.650 4.878 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1507944062 LZPDLSSQFOBVLV-VQIMIIECSA-N 433.394 4.843 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(CC)C1)C1CC1 1507988810 WCXKDLKMMZJTQD-ZWKOTPCHSA-N 429.996 4.568 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1508013652 QPSBJCVQEOKXJE-LJQANCHMSA-N 439.604 4.935 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1508150381 DGVCHGIYCCADOK-VQTJNVASSA-N 430.618 4.940 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1)C1CCCC1 1509369698 GKFORYDGNWXVCC-UHFFFAOYSA-N 431.588 4.588 30 10 IJEE C=CCN(C(=O)c1nc2ccccc2cc1C1CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1522961354 XFJDZKDATCXZIB-DEOSSOPVSA-N 428.532 4.915 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc([N+](=O)[O-])ccc2Br)C(F)(F)F)cc1 1525856485 OZEZEXYFSWXBIV-HNNXBMFYSA-N 428.160 4.799 30 10 IJEE C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(Br)c(C#N)n1 1526374001 ABDRQBRHUXNXBT-HNNXBMFYSA-N 436.309 4.713 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)C1 1526843085 MSJIVNHGPCLWFB-MRXNPFEDSA-N 434.367 4.865 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 1529918833 QMQYBKISEZZZHJ-NRFANRHFSA-N 428.919 4.908 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@H](C)[C@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OC 1530855598 QGZCQYKLJNRCKL-FXAWDEMLSA-N 446.588 4.588 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 1535721112 AYKDAXYTTXAUFR-MFTRDONSSA-N 441.560 4.703 30 10 IJEE C#CCN1CCC(C(=O)N(Cc2ccccc2)c2nc(-c3ccccc3C)cs2)CC1 1536325697 HZNMQRLKJZDUQN-UHFFFAOYSA-N 429.589 4.997 30 10 IJEE C=CCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C(F)(F)F)cc1 1536397696 DRVZVBGAUPPXSU-KRWDZBQOSA-N 426.366 4.955 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)c21 1537419508 ZZXJYZUEAOLPOX-KRWDZBQOSA-N 446.429 4.681 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(C)cc(I)c1)c1ccc(F)c(F)c1 1538997858 WSSFUCCQLNMDFN-KRWDZBQOSA-N 427.232 4.925 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1539520229 QHUDMHURNGJJHV-LJQANCHMSA-N 442.629 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](OC)[C@@H](C)CC 1539538754 MRYJCNJIAJNBAT-HVDAFXPBSA-N 428.552 4.610 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(C)C1 1539622354 WPXZNVIZGKQLHB-AZUAARDMSA-N 430.499 4.684 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCC[C@H]1C 1539650721 UTOOJXKNXZGCCW-QVNIBDNGSA-N 426.605 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1539667515 IWFQLHCNMBVDKB-UNMCSNQZSA-N 425.621 4.704 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1539856267 WNGPMNWUZCYTFB-IBVKSMDESA-N 438.616 4.862 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1539955186 SBAGJULSPCSKHT-NRFANRHFSA-N 446.599 4.735 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1539963525 WKVPHFKKMBWIRT-SIKLNZKXSA-N 427.568 4.730 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539982272 NIYSKWFRYCBMPL-WOJBJXKFSA-N 441.595 4.834 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1540113815 DJSPXNJBZRRHPA-UHFFFAOYSA-N 441.620 4.733 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(C)C 1540185110 MRCJEBQUCSHPLZ-UHFFFAOYSA-N 439.560 4.516 30 10 IJEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1541894915 GVWKPLJDOOMJCF-OALUTQOASA-N 429.515 4.505 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 1542727943 QYEMYGWPKSUCHC-UHFFFAOYSA-N 432.249 4.806 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCC1(C)C 1543401754 IDAKZJNTNUXISN-HXUWFJFHSA-N 448.571 4.796 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1554164917 BSIVQDGGNIELPD-WOJBJXKFSA-N 429.515 4.506 30 10 IJEE N#Cc1ccc(N2CCN(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c(F)c1 1559516891 FMIKVTFPLJSXBA-UHFFFAOYSA-N 444.510 4.640 30 10 IJEE C#CCN(Cc1conc1Cc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1560701688 CWBISUORMSBQHB-QFIPXVFZSA-N 437.337 4.987 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1OC(F)F 1561437958 AVQNFGCLXTUYGU-QMMMGPOBSA-N 431.329 4.625 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(Br)cc1 1562254905 XMVMQCFNKHGWDT-RBUKOAKNSA-N 443.341 4.893 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc2ccc(Br)cn2c1F 1565723405 ALFJTTJGEQCRDT-NSHDSACASA-N 433.306 4.882 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OC)c(OC(F)F)c1 1583506509 RKNVFSCLPPYTHH-UHFFFAOYSA-N 428.229 4.876 30 10 IJEE CCC[C@@H](C(=O)N(C1CC1)[C@@H](C)C#N)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1583902760 BGMDUSSRRIQGIR-BVZFJXPGSA-N 445.563 4.939 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)C1 1584653866 RAXFYBGLDSFDBL-INIZCTEOSA-N 434.337 4.935 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1ccccc1 1585924876 PLQDPVXLFYZFSV-MOPGFXCFSA-N 432.442 4.762 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1587812994 GIMFFPDQEDTGOR-JOCHJYFZSA-N 449.002 4.608 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1587915489 MDZKYHFIOLQEED-GSPPDTAYSA-N 437.632 4.615 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCC1=CCCCC1 1588549939 CWXLXKGWPHSZNJ-UHFFFAOYSA-N 429.543 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1cccc(COC(C)(C)C)c1 1589192270 MWCSBFZRCYCUAA-AREMUKBSSA-N 429.568 4.696 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1589427377 JQCZCSACFTYQOK-IERDGZPVSA-N 431.378 4.555 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCC1 1589503011 BFMGTZVTUWHKKW-QFBILLFUSA-N 431.378 4.678 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2ccccc2)C1 1589742701 XCHSGWKATHVIOD-MRXNPFEDSA-N 445.386 4.923 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1593649874 CPHNDNUDOGFYRP-LJQANCHMSA-N 444.352 4.750 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCCN2CCC)CC1 1594102739 ZCJZEKKNNDLSFI-QFIPXVFZSA-N 428.024 4.943 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccccc2OC(F)F)CC1 1594237798 WGMKEZXSQGHZDH-HXUWFJFHSA-N 432.515 4.766 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(N(C)C)CCCC2)CC1 1594430200 JGFNEKFQLLLTHY-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1scnc1C 1594461779 YEXNPKIQJKRVFD-UHFFFAOYSA-N 426.546 4.857 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1594544700 MQNPTBAKTRSEKD-IRLDBZIGSA-N 439.604 4.688 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1595133758 MHOVOJQXYAUFNH-BKMJKUGQSA-N 449.574 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)CCO[C@H]1C1CC1 1595191745 WRGVTGSTVLLIDB-XUZZJYLKSA-N 442.991 4.991 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1Cc1ccnc(OCC(F)(F)F)c1 1595196056 JSUHKVAYLZJMRB-UHFFFAOYSA-N 443.473 4.816 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(F)CCC1 1595212012 KKFOAJLLJVPUQX-IBGZPJMESA-N 447.599 4.853 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 1595475408 BQYHRRVNSJMWSR-RDJZCZTQSA-N 433.936 4.570 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](C2CCOCC2)C1 1595844421 BLUNVAYAUHUNTJ-GOTSBHOMSA-N 440.657 4.992 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1)c1ccccc1 1596910342 LPSKYQCVDLIMOP-NRFANRHFSA-N 445.544 4.764 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)c3cc(Cl)ccc3Cl)ccc2c1=O 1616991148 BXWSQHAGVLEWKE-LLVKDONJSA-N 434.348 4.669 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H](Oc4ccc(Cl)cc4)C3)n2)c(Cl)c1 1623279170 AJWYPPHVEJPYBH-KRWDZBQOSA-N 442.306 4.736 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(Br)ccc1Br)C(C)C 1628249203 NDPYGZIEHXRRSS-QGZVFWFLSA-N 444.211 4.640 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)c1ccc(Cn2cc(Br)cn2)s1 1628249982 CWMZXMLEOAKCSI-UHFFFAOYSA-N 444.358 4.701 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1N1CCCCC1 1628899421 MLWXYCIBHAGIAY-KRWDZBQOSA-N 443.922 4.930 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)C(C)C 1632734282 FONQFKVLBZGLAL-ACESQOTJSA-N 447.664 4.617 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 1633571462 KEPOIRSNYKBMQN-PMACEKPBSA-N 446.979 4.529 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 1633575519 WCZAGRKXIONZCV-IRLDBZIGSA-N 447.938 4.563 30 10 IJEE C=CCC1(CNC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCC1 1635210982 CKPPDVBTFBRUOX-UHFFFAOYSA-N 430.902 4.722 30 10 IJEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C)C(C)C 1635357075 DHSMTQGNIWQFAY-HSZRJFAPSA-N 426.582 4.526 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1638987966 SNWMBRHDHVSSTC-QUCCMNQESA-N 425.529 4.664 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCc3ccccc3O2)CC1 1641785325 UAAGGVGKKKQZJC-FQEVSTJZSA-N 428.573 4.622 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1643640649 PGLQIWRKSQXILC-IBGZPJMESA-N 428.602 4.794 30 10 IJEE C#Cc1ccc(NC(=O)CCN(C)[C@H]2CCSc3ccc(Br)cc32)cc1 1652522457 BNMUMCHHNHEYSR-IBGZPJMESA-N 429.383 4.928 30 10 IJEE N#CCc1ccccc1S(=O)(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 1653389626 BQSFFOCGWVZKOU-OAQYLSRUSA-N 449.963 4.998 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CC=C(c3cccc(Cl)c3)CC2)ccc1C(F)(F)F 1655198196 CKBOUBVNBSFRAF-UHFFFAOYSA-N 426.847 4.708 30 10 IJEE C=CCCn1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)nn1 1657855696 UBLQHNWPWIAVPI-JOCHJYFZSA-N 430.474 4.609 30 10 IJEE COCC(C)(C)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 1666035745 CTQYDLHSHPIAAK-OAQYLSRUSA-N 440.975 4.570 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1 1668066042 FUBMPGUMRQXTOC-UHFFFAOYSA-N 426.436 4.788 30 10 IJEE Cc1cccc2nc(CCNC(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)cn12 1674171367 CGKNTYNVWFQPIH-UHFFFAOYSA-N 443.482 4.597 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H]3c3cncc(Br)c3)cc21 1674684542 AFGQVGRBDLDVHX-GOSISDBHSA-N 426.318 4.749 30 10 IJEE C[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)Oc1ccc(Br)cc1 1679356904 GLKLSRKUQGNZEF-CZAAIQMYSA-N 442.357 4.698 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1683106153 AJEOZJKIXZAUCO-UNMCSNQZSA-N 434.515 4.952 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1683734420 UWWFXVQUVIGYOT-DEOSSOPVSA-N 445.563 4.802 30 10 IJEE C#CC[C@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)C1 1685490465 FEDMNMRLZFBLFL-GJZGRUSLSA-N 432.387 4.997 30 10 IJEE C=C1CCC(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)CC1 1687541891 XEJULNCOVSFDOT-OAQYLSRUSA-N 443.588 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)CCOC 1689831286 INCQXAADENBFOQ-KRWDZBQOSA-N 437.613 4.898 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1689913723 UIEOVCFJWQWXOR-WIYYLYMNSA-N 428.552 4.755 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)C#C 1690155918 POZLJSGBHBENRM-QZTJIDSGSA-N 431.005 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1690258908 YTIMZCZFVAXXAB-UHFFFAOYSA-N 426.446 4.681 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](COC)C1 1690334046 BZZNPQGFGCKSAV-LBPRGKRZSA-N 446.176 4.586 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](OC)c2ccccc2)CC1 1690366268 VHJUAFRUXPEDIY-LJQANCHMSA-N 442.361 4.580 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)C(C)C)CC1 1690398960 KOQSWDVHOHOIFH-GAJHUEQPSA-N 432.996 4.881 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1690415661 SYHVYRMRYSOVPN-GAJHUEQPSA-N 432.996 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccccc2)CC1 1690426456 OEAKJRNRISUICX-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(Nc2cccnn2)CC1)c1ccccc1 1690444931 OIRFLNAXDWMMBT-QFIPXVFZSA-N 445.615 4.707 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1nc(C(C)C)cs1 1690607134 FARODCIFGIMUNE-HXUWFJFHSA-N 441.601 4.976 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)c1nc(C)cs1 1690615725 PELXZFZQJRRWGF-OAHLLOKOSA-N 431.993 4.806 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1C[C@H](C)S[C@H](C)C1 1690683643 QFYYYMHMWNZFGW-KDURUIRLSA-N 426.630 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](SC)C(C)(C)C 1705486695 KAKNPVCIMFNMKA-RHSMWYFYSA-N 435.435 4.943 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC[C@H]1C 1705609964 XNEFGMGLIKDUMF-NVXWUHKLSA-N 431.378 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(C)CC1 1705717726 QGTSDAAKJMZERK-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705731753 BRLWAVMNINTIIL-UGKGYDQZSA-N 426.605 4.697 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1705779435 JPEJUIFSEMKTIE-DEOSSOPVSA-N 447.631 4.510 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CCCS1 1705859931 KCZJCPRNSFOKAY-QPPBQGQZSA-N 437.613 4.522 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCN1CC 1705866405 PNPUOFSZNIYBRD-FQEVSTJZSA-N 436.629 4.777 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1Cc1nc(C(F)(F)F)cs1 1707645482 CLRCXXSGAMQSTA-UHFFFAOYSA-N 446.502 4.907 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2cc(F)ccc2Br)n1CCC1CC1 1712886682 AXNLCDMCJIAIIL-UHFFFAOYSA-N 432.341 4.777 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@H](F)C1 1722468916 XYHJWGFEZLCZFU-LRAJWGHMSA-N 449.343 4.977 30 10 IJEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1722480405 QHUTZDVQOTWACC-PKOBYXMFSA-N 449.393 4.561 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@H](CN3CCCC[C@@H]3C)C2)nnc1C(C)(C)C 1722488502 HIPOTDRUZYYQMC-ROUUACIJSA-N 438.458 4.575 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722575193 ZRZVYWMPQXTYAJ-GREBRCKQSA-N 440.563 4.941 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(SC)CC2)CC1 1722582820 QGNNHTBWURJCMZ-SFHVURJKSA-N 447.649 4.648 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](COC)C1 1722585367 XXAWIIKCAGZTAQ-MRXNPFEDSA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCc1csc(CC)n1 1722658230 HDPLPWWSFXGWAH-FQEVSTJZSA-N 437.613 4.626 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](C)C1)C(C)C 1722665463 MNECLJIFKDSUOG-SGIRGMQISA-N 446.643 4.998 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1 1722673562 WHWVZHFWPWNQRW-SFTDATJTSA-N 430.543 4.843 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)cc1 1722704079 BRHVDTJOVPODSA-NFBKMPQASA-N 431.584 4.892 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](F)C2)cc1 1722892021 GOPQTNXNJZOXQS-VUMVONDWSA-N 443.542 4.735 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCCC2)nc1 1740600028 HHYOUZIUXCZGCY-XMMPIXPASA-N 442.611 4.713 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740641663 MWNGZHNHFBGDDS-SFTDATJTSA-N 428.502 4.619 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C)s1 1740663072 XLNIRXXYRBSRDK-UHFFFAOYSA-N 433.350 4.724 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1740789955 UALBCXVVHLLPOO-OAQYLSRUSA-N 426.605 4.697 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2OCCC2(C)C)CC1 1740819049 BOSPSSXAVSCHCO-GOSISDBHSA-N 449.368 4.818 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 1740855006 KIKPLGWAYFTTRN-DEOSSOPVSA-N 449.643 4.989 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccsc1 1740886269 BDIQGNOKRZSRKJ-IBGZPJMESA-N 429.615 4.630 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCc1sc(C)nc1C 1740894184 LSCXJBRXRJPOIX-UHFFFAOYSA-N 432.391 4.646 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1740895243 VVLWCIZWXTYOSD-LJQANCHMSA-N 432.515 4.799 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCCc1nc2c(s1)CCCC2 1748880371 TUVTUMKRBGQAJU-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CC[C@@H](F)C1 1748889482 LNDCPVSWZRFSPQ-JTHBVZDNSA-N 436.575 4.971 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CC(C)(C)C(F)(F)F 1748944260 RHSOYPLMPINVSR-UHFFFAOYSA-N 431.437 4.708 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1748945341 QSOLLXVHXBIMCP-SFTDATJTSA-N 439.623 4.766 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H](c3nc(CC)cs3)C2)nnc1C(C)(C)C 1749112562 LLIQQPMXCADWKX-AWEZNQCLSA-N 438.439 4.887 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCCCC1 1749120589 GITKFTLWZAUUML-HNAYVOBHSA-N 448.409 4.786 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749265305 PLXKAAUXFBNFDM-QHCPKHFHSA-N 441.963 4.994 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](CC)C1 1749448708 BHPAFTLCUVHBOJ-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC)CCCC1 1749488933 PGAIARDBAPDIDU-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](c1cccnc1)C(C)C 1749551281 UZBZHVQCTYFESD-NRFANRHFSA-N 445.596 4.824 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(OC(C)(C)C)CC1 1749621945 IXKRMHFXDIUEAS-UHFFFAOYSA-N 433.394 4.986 30 10 IJEE C[C@H]1C[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1752025177 AKDLSFWNDBTXCQ-RMFSNUHRSA-N 442.007 4.856 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C(C)C)N1CCCC1 1760103226 BACIITDOJKLDAE-TZIWHRDSSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CSCCS1 1760105058 ALSLINQYUDCHSS-OCCSQVGLSA-N 427.426 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CC(C)(C)N1CCCCC1 1760297463 UWIKXIRNXDQCBJ-HHHXNRCGSA-N 433.644 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760316722 WEGMICZRQDJVID-CTWRKMMKSA-N 430.637 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1760323514 DAOHCEFQUPXSGQ-YJRNTSOCSA-N 430.637 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1760407409 CKSSIYBVUVYREO-OAQYLSRUSA-N 439.604 4.611 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(CCc2cccs2)CC1 1760423167 SECBQZFSHZMHMC-UHFFFAOYSA-N 425.602 4.629 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1760431072 DBUDCLKVYWCTKC-FQEVSTJZSA-N 427.618 4.691 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1760446278 MRDPEFZXBROQQF-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)c1cccc(F)c1 1760496104 IBJZDYGXTZEHQO-UHFFFAOYSA-N 444.558 4.812 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1c(C)coc1C 1760498903 IFEWJTWIADJTCK-UHFFFAOYSA-N 427.552 4.757 30 10 IJEE Cc1ncsc1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1761611976 DMBVEWDCSSJFNC-OAHLLOKOSA-N 449.609 4.521 30 10 IJEE CCc1cnc(CCn2c(-c3ccc(C)o3)nnc2N(C)Cc2cccc(C#N)c2)s1 1762680700 BTEJYSKWPBLQRA-UHFFFAOYSA-N 432.553 4.616 30 10 IJEE CC(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCN3C(=O)c2cccc(C#N)c2)cc1 1858472504 PSSYIQXXWVBYJI-UHFFFAOYSA-N 425.488 4.973 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1C 1861009775 DEROYPPIBOQDJO-QFIPXVFZSA-N 439.556 4.721 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861246874 OGDORQIKNNEVLO-QHCPKHFHSA-N 447.664 4.906 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Br)cc2)cc1C 1862409866 VNWACGLJAQCJHG-IBGZPJMESA-N 442.309 4.507 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862433202 XHAXWKQPHPGCOZ-BFUOFWGJSA-N 432.303 4.751 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862446466 SURSKJJBUKPEIQ-IBGZPJMESA-N 434.319 4.998 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862457798 YJGYTVAPWHFWAM-ICNNEYJISA-N 445.437 4.967 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1F 1862523661 MKRBAKDTNIZNTD-SFHVURJKSA-N 432.289 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1cccc(F)c1)c1cccc(O)c1 1862591232 WFYWGTXAHMGSRD-NRFANRHFSA-N 437.854 4.963 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCCN(C)C 1862613436 IAQOEOYMWQFLEE-HSZRJFAPSA-N 434.580 4.823 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(Cl)cc1 1862618842 ZQIUCYOSHSFPDO-FQEVSTJZSA-N 427.928 4.862 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862663691 SRBCYDKGGWHCHU-XMMPIXPASA-N 442.515 4.992 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862676393 IGEFTOVNSZYHLG-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862676723 PPSZKHLIPOULNA-RFVSGWPVSA-N 438.455 4.891 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862799163 ZMMIQCOLOYZAJJ-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccc(F)cc2)C1=O 1863142695 JKDLPAFZTOTLIR-UHFFFAOYSA-N 428.463 4.783 30 10 IJEE C=CCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863726916 CSWCRVZNATTWEX-UHFFFAOYSA-N 445.346 4.545 30 10 IJEE Cc1cc(Br)cc2c(O)cc(C(=O)Nc3sc4c(c3C#N)CCC4)nc12 1866548697 BNCFNLDKXLPMRA-UHFFFAOYSA-N 428.311 4.686 30 10 IJEE CC[C@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867014175 WDQUAZAZPAYTCJ-OZXSUGGESA-N 433.552 4.764 30 10 IJEE CCc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCC(C)CC3)cc2)cc1 1870150413 IUDSVFQMFHKRSV-UHFFFAOYSA-N 442.567 4.509 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1871006557 LQZWNXFRKSGMPS-UHFFFAOYSA-N 440.902 4.516 30 10 IJEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)c1 1871355171 VWSJGYYQFZWLAR-IWIPYMOSSA-N 448.563 4.648 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871395928 CYBLQUAAMXMVQE-OJSPLJLUSA-N 427.928 4.707 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C)S(=O)(=O)c1ccccc1 1871942892 HASUBCCOLWJDJS-IBGZPJMESA-N 441.380 4.833 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 1872430028 JBSLSAWTWYWJGW-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276913 UWDSKDDENPFOEW-UHFFFAOYSA-N 439.471 4.948 30 10 IJEE O=c1c(Cl)c(N/N=C/c2ccc(Br)cc2)cnn1-c1cccc(Cl)c1 1873526520 JUBKQUZMHZPRDF-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874254797 SRVLDJXHFUJIBR-WSDLNYQXSA-N 425.514 4.685 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(OC)c1OCC 1874376328 QKQCIFAOFWUEGT-BUVRLJJBSA-N 426.517 4.576 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc[nH]1 1874393013 ASNLLZZYZLZUEP-GTPWMTBTSA-N 444.564 4.679 30 10 IJEE Cc1cccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2-c2ccco2)c1 1874467439 JBJILFHZIUQKCP-ZMOGYAJESA-N 442.504 4.670 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCCC)nnc1SCC(=O)Nc1ccccc1 1874475158 MAQRWKHEHBKDKG-KOEQRZSOSA-N 449.580 4.799 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cccc(F)c1 1874480708 IUQYLMNEPXJKRC-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874503227 XEVVCIMYSLHOSM-FOKLQQMPSA-N 425.945 4.744 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Br)c1OCCO 1874613199 HWUSABXQOHEKDH-VOTSOKGWSA-N 425.706 4.768 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3)c2)cc1OC 1874694098 LKBIHKHXXIZDOK-FMIVXFBMSA-N 432.472 4.757 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1OC 1875109531 SAWWKTUSUOLKPN-SOFGYWHQSA-N 433.298 4.986 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)c1 1875152510 OAWRJOFGTRKYDU-XYOKQWHBSA-N 436.435 4.723 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1c(Br)cccc1Br 1937829558 YEAHAJDIHSDVLX-CABCVRRESA-N 448.199 4.551 30 10 IJEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1945796211 YOGQAWINOXCNNM-APWZRJJASA-N 433.549 4.880 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953197757 HGYMGQKEXOQUEN-KOSHJBKYSA-N 429.561 4.963 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(C#N)C1 1965262270 HSZTXJZROAAXMP-WCTKDPGZSA-N 445.563 4.702 30 10 IJEE CC[C@@H]1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1996581203 ARNKNZOCQMMZTA-IERDGZPVSA-N 436.557 4.996 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035458041 GOFPWKXZQIBAKP-DQEYMECFSA-N 436.596 4.907 30 10 IJEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C)c(/C=N/O)c2I)cc1C 2079106349 GJYUIHPXRGYDEM-BSNPHMGVSA-N 425.314 4.775 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1ccc(C#N)cc1Br 2105983820 QZUAOLQOLBRPPN-QGZVFWFLSA-N 430.293 4.767 30 10 IJEE Cc1ccc(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)cc1NC(=O)OC(C)(C)C 2124519069 GARRKXDNLYNWED-IRXDYDNUSA-N 442.365 4.506 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Nc2ncc(Br)cc2C#N)cc1 2162387168 KJGKWMIQOUKSAR-SJORKVTESA-N 429.318 4.840 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3cc(Br)c(C#N)cc3F)C[C@]2(C)C1 2172914718 XZEOFPMNQDOKRK-PJSUUKDQSA-N 438.341 4.907 30 10 IJEE CCCN(Cc1ccc(Br)cc1C#N)C[C@H]1CCCN1C(=O)OC(C)(C)C 2174559898 OJPUMIIGPYEDGQ-LJQANCHMSA-N 436.394 4.932 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181114481 LEGWBBGCPMZFRJ-XJKCOSOUSA-N 436.350 4.541 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2c(F)cncc2Br)C1 2183007680 GBANKIPGMHXVQD-QGZVFWFLSA-N 442.373 4.885 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1Br 2184352578 CSVDSSTULYAEBY-INIZCTEOSA-N 436.350 4.950 30 10 IJEE Cc1sc(Br)c(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c1C 2194129065 SDRTZQYMTJCDJN-BFUOFWGJSA-N 440.212 4.826 30 10 IJEE CC[C@@H](C)[C@@H]1CSC(=Nc2ccc(Br)cc2I)N1 2223680185 ZNWOJGJWLVMERM-PELKAZGASA-N 439.160 4.792 30 10 IJEE O=C(C#Cc1cccc(Cl)c1)c1cc(I)ccc1Br 2231090212 XTPIRGOSNKBNKL-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(I)c(C)c1 2235719975 GUZVPWQCNTXUCR-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE COc1cccc(C#C[C@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1 2237729021 GCJNKOGEKNEIFN-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CC1(C)OB(c2csc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 2255658633 GXPQPLNDMIHMMB-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccccc2NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267566087 WKYOKPMUXCCOKA-WBVHZDCISA-N 442.365 4.621 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2269710545 CHCHYUASDNUCEI-LJQANCHMSA-N 436.405 4.766 30 10 IJEE Cc1cc(Br)c(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)cc1Cl 2280769730 ZFYPCAKZRDTXBJ-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1CCCC1 2281982603 VFEKTOZNMCYTRV-UHFFFAOYSA-N 449.400 4.827 30 10 IJEE COc1ccc(CNc2cc(Br)cnc2C#N)cc1NC(=O)OC(C)(C)C 2284073690 STFFQVPWEHUHGJ-UHFFFAOYSA-N 433.306 4.683 30 10 IJEE C[C@H](C#CC(=O)N(c1ccccc1)c1ccccc1)OC(=O)C=CC1=CCC[C@H]([N+](=O)[O-])C1 2294965045 DBVXCYXESDPNAF-YKSBVNFPSA-N 444.487 4.598 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296268085 ACTFQDKHAPTDHH-YZGWKJHDSA-N 435.406 4.862 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@H](N)C#Cc1cccc(Br)c1 2296281108 HTXDKJVEESYKEM-MRXNPFEDSA-N 431.330 4.856 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1(C)CC1 2296310008 DEQPPLWLDOVIHB-MOPGFXCFSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2296591459 JOQXVXYSLUWUFS-JOCHJYFZSA-N 446.503 4.915 30 10 IJEE COc1cc(OCc2ccccc2)c(C(=O)C=Cc2ccc3c(c2)OCO3)c(OC)c1OC 2297458493 CACSZGZCRHGOLP-UHFFFAOYSA-N 448.471 4.916 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2305317184 SQCXMSKYWTVHHG-FBROZUCGSA-N 428.573 4.601 30 10 IJEE CCN[C@@H](C#CC1CCC1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2315822785 DZUCIGHAXAHZIR-DEOSSOPVSA-N 439.644 4.718 30 10 IJEE CC[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2317346382 HTVCTFWGNUQEFI-KAUXGEHWSA-N 432.370 4.751 30 10 IJEE Cc1cc(CSC[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2320590631 NQZCEKOZHLMZOA-IBGZPJMESA-N 447.450 4.784 30 10 IJEE CCCCCCCCCOc1ccc(C=Nn2c(S)nnc2CCOC)cc1OC 2321911763 QYQPWGGCEDULDY-UHFFFAOYSA-N 434.606 4.776 30 10 IJEE Fc1cccc(Cl)c1COc1ccc(C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1 2321935553 ZLZUVPOJBTULHU-SFHVURJKSA-N 432.908 4.672 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)c1 2322722994 VUQNREPSWUQCLQ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE O=C(COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1)Nc1ccc(F)cc1 2323186762 CCMRNKCRRIASIS-UHFFFAOYSA-N 433.435 4.511 30 10 IJEE CCOc1cc(C=NNc2nnc(-c3ccccc3)c(O)n2)ccc1OCc1ccccc1 2323283439 NIKRDGQFEWDBBV-UHFFFAOYSA-N 441.491 4.668 30 10 IJEE Cc1ccsc1C=C1Oc2cc(OC(=O)c3ccc(C=CC(=O)O)cc3)ccc2C1=O 2323603765 HHFHDIMMORAPJM-UHFFFAOYSA-N 432.453 4.990 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3cccs3)C4=O)CC2)c1 2324187101 SCKDPOVEBSKDLX-UHFFFAOYSA-N 432.545 4.701 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)c(OC)c1 2324946099 AASOWBWDXPNNEE-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2325566764 ZDYKNVYVONOIAC-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)c1 2325722834 JBJUXTBCWLAAEF-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2327567099 LQYHLMYTOIQROC-UHFFFAOYSA-N 429.889 4.579 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccco2)c1 2328615467 ONEIWOWRSQJHPI-UHFFFAOYSA-N 436.512 4.979 30 10 IJEE Cn1cccc1C=Nn1c(CCCOc2ccccc2)nnc1SCc1ccc(F)cc1 2328719958 JRKWQRKKGOACPK-UHFFFAOYSA-N 449.555 4.942 30 10 IJEE C(=Nn1c(CCOc2ccccc2)nnc1SCCc1ccccc1)c1ccncc1 2329200260 RSGVBHVJYAJDQH-UHFFFAOYSA-N 429.549 4.512 30 10 IJEE Oc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCCc1ccccc1 2329200321 MRTNFXAWDNOEDP-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2O)cc1 2330551870 GMEZGJIWGYJJCV-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)cc1 2331182639 PVWKDFHXLNVWRP-UHFFFAOYSA-N 449.511 4.853 30 10 IJEE CC(C)Cc1nnc(SCCO)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331473076 DJRLKDCBFPYGBF-UHFFFAOYSA-N 444.988 4.676 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc(F)c1)c1ccccc1 2331543826 ZZOYSDAMABNCCJ-INIZCTEOSA-N 437.544 4.536 30 10 IJEE COCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(Br)cc1 2331554877 JCZXODNEDRNDJV-UHFFFAOYSA-N 435.322 4.501 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339577875 YNTVYSSABWKGIK-UBJZUDALSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339595092 FLNBZFGKKRLMMD-SWDTZWKESA-N 443.397 4.928 30 10 IJEE C[C@@H](O)c1ccc(C#N)cc1Oc1cc(Br)cc(I)c1 2364009660 KLSGOVNNWNBTEK-SECBINFHSA-N 444.066 4.771 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1OC 2365241253 NWJRKFMFRSECPC-MSOLQXFVSA-N 439.394 4.723 30 10 IJEE CN(C[C@H]1CN(c2cc(Br)cc(F)c2C#N)CC12CC2)C(=O)OC(C)(C)C 2366106395 XORMYYFRBKBTDO-ZDUSSCGKSA-N 438.341 4.543 30 10 IJEE Cc1cc(CNCC2(C)CCN(Cc3ccccc3)CC2)ccc1B1OC(C)(C)C(C)(C)O1 2369693360 ZWYMJWNSHGTTKJ-UHFFFAOYSA-N 448.460 4.686 30 10 IJEE CC1(C)CCC[C@](C#N)(Cc2ccc(I)c(Br)c2)C1=O 2377396121 DMTWKIORWVCKOL-MRXNPFEDSA-N 446.126 4.885 30 10 IJEE Cc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)c1 3041517 RXJCTCILOLROIS-QLYXXIJNSA-N 434.952 4.886 30 10 IJEE CCCCCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(C#N)c2nc3ccccc3nc21 3261037 CFLMBEPXXMAMDN-UHFFFAOYSA-N 428.452 4.807 30 10 IJEE CCCCSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 9856525 ZKCJADNNKDGEPS-QGZVFWFLSA-N 433.375 4.955 30 10 IJEE COC(=O)c1ccc(/N=C2\S/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)N2C)cc1 13470984 BKQJLAWKMNQSHT-SVKHOINDSA-N 446.532 4.510 30 10 IJEE COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2cc(C)ccc2C)N(C)C1=O 17084464 WZHOZDHZZNPKHM-JQBIEYAESA-N 431.945 4.556 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1cccnc1 20829884 QJASPWLHYPAILB-UHFFFAOYSA-N 449.458 4.546 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(C)c2)Nc2ccc(C)cc2C)c1C 32973219 RFVOCOHSDMGUAZ-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1 34944668 YQFKMTGZHHXPJM-QFIPXVFZSA-N 440.971 4.877 30 10 IJEE CC[C@H](C)c1ccc(N/C(=N\C(=O)c2cccc(NC(C)=O)c2)NCc2ccncc2)cc1 35481045 JLNJECWDRWOMOP-SFHVURJKSA-N 443.551 4.952 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c(OC)c1 41654675 YLRPTNFLGIDGGT-YVNNLAQVSA-N 435.501 4.734 30 10 IJEE CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3cccc(Cl)c3)S2)cc1 100184398 WIMJAWUVYHLNHS-GOTYSUTNSA-N 431.945 4.719 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(OC)c2)cc1 169930859 KHLWCHRQCZTWKA-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1c(Br)cc(/C=N\Nc2nc(C)c(C)s2)c(OC)c1Br 169940026 PGWQLBRZPXYYJN-FMQZQXMHSA-N 449.168 4.748 30 10 IJEE CCCOc1c(Cl)cc(/C=N\Nc2nc(CC)c(C(=O)OC)s2)cc1OCC 169943378 RGKHGOVEAFZQJE-NHDPSOOVSA-N 425.938 4.779 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(O)cc2)cc1C 169960142 CKNFXCPPXDOLLD-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1cccc(C)c1 169970702 IWJYTZLBYDWHQR-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1cccnc1 170005113 WXCXQGPYEHXRGX-QFIPXVFZSA-N 436.870 4.976 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2cccnc2)cc1 170006578 RFEPZVVUADRRSO-QHCPKHFHSA-N 439.471 4.745 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1 170068482 AFXPYOHTDFKCJE-JOCHJYFZSA-N 440.971 4.993 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccco2)cc1 170098437 UQKKXJKNWJWSDR-NRFANRHFSA-N 427.460 4.810 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(C)o2)cc1 170102296 WOMIVTTXQDMQIV-DEOSSOPVSA-N 431.488 4.694 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)cc1 170145044 ZPHBTTCWLJAJBX-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)c1 170146101 IPARMHJJKMNZNS-HXUWFJFHSA-N 447.362 4.832 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(O)c(OCC)c2)c1 170149112 HPVVXQQDBUSZTG-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)c1 170162712 DCFOYSFPIHROJR-NRFANRHFSA-N 434.517 4.710 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)cc1 170166278 IPTJCDLUXICVSR-FQEVSTJZSA-N 429.538 4.540 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)c1 170183056 GYLQGSYCLNUEIR-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2cccnc2)cc1 170186608 FWBOKYJFESFFPC-XMMPIXPASA-N 440.499 4.752 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3cccnc3)ccc2O1 170188655 BNGJPPGHKCOHGT-RCDICMHDSA-N 446.890 4.841 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)ccc1OC(C)C 170231274 GGAGXVKNAPTXIM-XMMPIXPASA-N 442.515 4.956 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170241396 ZGJJOQKVCDCKBX-XMMPIXPASA-N 442.490 4.878 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccco2)cc1 170278779 BVKLKLGBLNXKBX-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccco2)cc1 170284797 BVFWWWNXSRTTCZ-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303136 BEBIGGXSXOZFQO-IBGZPJMESA-N 438.823 4.933 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2sccc2C)cc1OC 170405367 FAWTXPPHVOTCLM-SFHVURJKSA-N 441.530 4.918 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2)SC1=Nc1cccc(C(F)(F)F)c1 252624394 PNFZODLOGOLONL-KRWDZBQOSA-N 435.471 4.994 30 10 IJEE Cc1ccc(NCc2ccc(Br)cc2C#N)cc1I 311554786 QMIOWIVBHZKADL-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCCC 407416738 OFPHYTWRUJLBMN-DLBZAZTESA-N 445.348 4.555 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 428340254 HZYDJMQDCNTONV-UHFFFAOYSA-N 428.448 4.520 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460567961 QTPCZGGOMYSXER-UPTQXZAWSA-N 447.608 4.948 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460933735 QTFJFISBXNBYHU-HHHXNRCGSA-N 446.595 4.581 30 10 IJEE Cc1sc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)nc1-c1ccc(Cl)cc1 505940562 FWJWLOCUAVJRDS-OAQYLSRUSA-N 433.961 4.650 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](c2cccs2)C1 508917353 JFVPITUSCBIIOE-MRXNPFEDSA-N 431.359 4.533 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccc(O)c(Cl)c1 526830596 OZNKZFIQCLSORK-JJFYIABZSA-N 448.932 4.534 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 537666027 RMBJENBDBKBZQE-INIZCTEOSA-N 431.467 4.579 30 10 IJEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H]1c1ccccc1I 576076101 MWTDDQPRKYJAIR-KRWDZBQOSA-N 446.292 4.670 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccccc1 584457691 WCNWVCDNWWHKEO-OAHLLOKOSA-N 430.339 4.808 30 10 IJEE N#Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccc(C(F)(F)F)cc4)o3)C2)cc1 585191974 XKUGOTMAIZIDAU-KRWDZBQOSA-N 426.398 4.647 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)C2(NC(=O)C34CC5CC(CC(C5)C3)C4)CCNCC2)cc1 585831495 FFZSFZBOYDPHII-VMPITWQZSA-N 434.624 4.847 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 608941654 WWUNPXUQDYXETN-UHFFFAOYSA-N 436.537 4.636 30 10 IJEE N#Cc1cccc(-c2nnc(Cn3cnc4scc(-c5ccc(Cl)cc5)c4c3=O)o2)c1 610218467 TTWOXQDOJAHVGW-UHFFFAOYSA-N 445.891 4.748 30 10 IJEE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)N(CCC#N)CCOC 611065922 QGJJNHOXSCWJRI-UHFFFAOYSA-N 435.933 4.639 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 684803792 YFZWFGUULAPYFX-FVQBIDKESA-N 435.284 4.723 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 698960574 GWRSQHQSBCXSDA-IERDGZPVSA-N 436.557 4.996 30 10 IJEE CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C)cc2)cc1 726571031 AOAOKBGAACZOMM-UHFFFAOYSA-O 432.569 4.742 30 10 IJEE CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 726731241 HFCZUFAAYBKRKI-PCDOZYEKSA-N 445.588 4.765 30 10 IJEE C#CCN(C(=O)N[C@@H](C)Cc1ccccc1F)[C@@H]1CCOc2ccc(Br)cc21 733342350 FLXDMLKWFYTOPH-MGPUTAFESA-N 445.332 4.688 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CNC(=O)c1sc2ccccc2c1Cl 735330644 SBIOOMCMMSCUJQ-UHFFFAOYSA-N 449.315 4.584 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCCc1ccc(Cl)cc1 740946263 IZRGATFHBACRJW-UHFFFAOYSA-N 430.835 4.599 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1=S 747833045 STYLGZABHXTHEA-MSOLQXFVSA-N 449.020 4.538 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Cl)c1C 799211928 DKBDRTFRSXSUDI-SFHVURJKSA-N 431.945 4.637 30 10 IJEE Cc1ccc(N=C2NC(=O)/C(=C\c3cc4c(cc3Br)OCO4)S2)c(C)c1 1084183479 AXLIIIYXBPZTCC-REZTVBANSA-N 431.311 4.686 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCOC(C)(C)C1)c1ccc2c(c1)OCCO2 1124426909 COEQMBYFFUECGN-LJQANCHMSA-N 437.536 4.761 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 1125559621 FPPRDGDEDLSKKW-UHFFFAOYSA-N 425.492 4.783 30 10 IJEE C#Cc1ccc([C@H](OC(=O)COc2ccccc2OCC(F)(F)F)C(F)(F)F)cc1 1128970414 HJDYNEYDQYFJLU-SFHVURJKSA-N 432.316 4.835 30 10 IJEE C=CCC1(NC(=O)CCCOc2ccc(I)cc2)CCCCC1 1129028668 JVCULGWAHKKLHU-UHFFFAOYSA-N 427.326 4.845 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)c1C#N 1136222061 GPWHOWLABHCTMB-QGZVFWFLSA-N 434.609 4.714 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)C1 1146474848 JFGUWXQTEAEOKV-IBGZPJMESA-N 431.536 4.985 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(=O)OCC 1158289432 VMMCOIFWSUPUDE-FQEVSTJZSA-N 437.927 4.820 30 10 IJEE N#Cc1c(NC(=O)CN[C@@H](c2ccc(F)cc2)C(F)(F)F)sc2c1CCCCC2 1170013537 IBLJNQLSQIDHPI-SFHVURJKSA-N 425.451 4.859 30 10 IJEE C#CCC1(NCC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)CCC1 1198034636 YUODZEYUUBHSKD-UHFFFAOYSA-N 430.957 4.719 30 10 IJEE C=CCN(C(=O)CN(C)[C@@H]1CC[C@H]1OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1198667660 OZZZHGWWNSQBBJ-QZTJIDSGSA-N 440.396 4.745 30 10 IJEE N#Cc1cc(NC(=O)N2CCc3ncncc3C2)ccc1Oc1ccc(C(F)(F)F)cc1 1201257066 CBHXVUBIPUBMMZ-UHFFFAOYSA-N 439.397 4.750 30 10 IJEE CSc1ccccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1208480740 CFGGKGWMHXUYNH-UHFFFAOYSA-N 426.538 4.810 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC3(Cc4ccccc4)CCCC3)CC2)c1 1230991748 HUMGYEYIPOUNPS-UHFFFAOYSA-N 444.579 4.721 30 10 IJEE C#CC(C)(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1265137275 XRMOOQQOQPGCES-UHFFFAOYSA-N 432.593 4.852 30 10 IJEE COc1cc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c(Cl)cc1Br 1280397147 BNRNPKBZHSJTTR-UHFFFAOYSA-N 445.704 4.729 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@H](OC)C(CC)CC 1286365569 DCXQQEYQJLGJMM-IBGZPJMESA-N 433.394 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1286419659 CFCGVLKBBBQOON-ISJGIBHGSA-N 432.612 4.734 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC=CCC1 1286434380 YLYIJULZVQTHIN-JOCHJYFZSA-N 430.596 4.974 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(C)C)C1 1286497981 ZYVJTPRBYLRGQS-SFTDATJTSA-N 426.630 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1cccnc1OC 1286567390 UYASFBKOAYMEPW-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)C)CC1 1286682934 FQZCURSDSQNASX-HXUWFJFHSA-N 429.584 4.834 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@H]21 1286686260 DYNNGSQNBZULDC-VQTJNVASSA-N 429.609 4.738 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1286689350 MWOQEDRELJICIJ-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1286703949 JMFXXLCZFPFDRR-IBGZPJMESA-N 428.487 4.960 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@H](c1ccco1)N(CC)CC 1286720255 HGCPYZGPXJUVJH-OAQYLSRUSA-N 430.556 4.792 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccccc1 1289587022 PUCFFNKAZKCRAA-PIIWDFAUSA-N 432.954 4.509 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 1291531338 ARWXUHRESFIMHC-UQBPGWFLSA-N 436.604 4.955 30 10 IJEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CCCCC1 1297943800 YHXCDCKFPNAPJE-UHFFFAOYSA-N 428.554 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccccc1 1300284477 SLZXMGNMAMOXHT-BVZFJXPGSA-N 434.609 4.641 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCC2)CC1 1301105911 NYIQBCKUVQJXCY-QGZVFWFLSA-N 430.980 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301143312 IMRIVGYPSAYFHB-UHFFFAOYSA-N 447.583 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(C)C)C1 1301159970 JDNUIVQVUDCYJD-QFIPXVFZSA-N 426.605 4.937 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1301166778 ZPYUAGNFRKDHDD-QFIPXVFZSA-N 435.616 4.647 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@H](C)C1)C1CC1 1301316923 PNRSGVMGLIJLET-IRXDYDNUSA-N 426.561 4.562 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H]1C(C)C 1301347068 NZOIFHHNLLFFHU-ISKFKSNPSA-N 431.584 4.902 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(N(C)C)CCC1 1301374895 GNEPMUVVSLLNQV-GOSISDBHSA-N 425.646 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1cc(-c2ccccc2)no1 1301394974 WVMCLKHHXWRCLL-UHFFFAOYSA-N 432.553 4.516 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(Cc3cccc(COc4ccccc4)c3)CC2)c1 1308593643 BGBROVZQDVMJCU-UHFFFAOYSA-N 425.532 4.988 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)c1ccc(Cl)cc1F 1312938695 ZRPXYJHTGLDGOB-MOPGFXCFSA-N 425.262 4.729 30 10 IJEE COC1(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)CCC(C)CC1 1315274266 CXCZKTUZEKCQKQ-CSKUQDPHSA-N 432.572 4.684 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc34)oc2=S)C1 1325205732 GGYFIPLXYWDIBU-KRWDZBQOSA-N 445.548 4.717 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3F)c3ccccc3F)cc2C1=O 1352936102 HWCURLSSOOQGSF-UHFFFAOYSA-N 432.426 4.594 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@H]1C(C)C 1359002304 VENIJPACQSBRIN-SFTDATJTSA-N 449.624 4.898 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CCC(C)C 1359092403 APENSJPSFJPLHK-DHIUTWEWSA-N 432.572 4.564 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2nccs2)CC1 1359174352 AMZBJYJNOQUJAX-UHFFFAOYSA-N 444.402 4.809 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359180603 LITSKIJLYHAEKI-JHDGKUDLSA-N 438.616 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc(C)cs2)nnc1[C@]1(OC(C)C)CCOC1 1359191850 NQNFTGWNKTVUCS-QHCPKHFHSA-N 432.634 4.927 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCCC)CC1)c1ccccc1 1359193483 FDIUKJBPULVKQC-ISKFKSNPSA-N 448.615 4.824 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 1359194883 CRFMDSAZGFTNRF-YADHBBJMSA-N 438.616 4.926 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CC=C(C(F)(F)F)CC1 1359225235 RHGCWIIFMOGXTC-UHFFFAOYSA-N 426.870 4.890 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1360369426 KHLROALJNZWDPF-AVRDEDQJSA-N 442.918 4.818 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)COc1cccc2c1OC(C)(C)C2 1436641307 IYCIOSHOEZKKNI-UHFFFAOYSA-N 432.314 4.745 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn(-c2ccccc2OC)c1C 1436641575 UNCWFTWNYRFENR-UHFFFAOYSA-N 442.313 4.769 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)c1cccc(Br)c1 1441083027 JJIXLMGFBQJVNW-HNNXBMFYSA-N 431.758 4.838 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1455812555 WXOLPGCXFQEEEM-DNQXCXABSA-N 432.564 4.805 30 10 IJEE C=CCN(CCCS(=O)(=O)c1ccc(F)cc1)Cc1cc(Br)ccc1F 1459415679 IRLQAVSWCPYIMD-UHFFFAOYSA-N 444.341 4.579 30 10 IJEE C#C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1F 1460790022 QKMWBXZHXRGFDR-GOTSBHOMSA-N 434.898 4.831 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)OC(C)(C)C 1464616192 RWIVIJUSCISOOH-ROUUACIJSA-N 430.545 4.784 30 10 IJEE O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 1468673560 DHPNLPMOMGPUDM-MRXNPFEDSA-N 437.311 4.957 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)[C@H]1CCCO1 1469868229 PCXJRGZAJFHJQW-TZIWHRDSSA-N 432.442 4.820 30 10 IJEE CC(C)(C)OC(=O)Nc1ccsc1CNC1CCN(Cc2cccc(C#N)c2)CC1 1474607714 DDVBBSLUVNNLLP-UHFFFAOYSA-N 426.586 4.721 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)cc1 1475973984 PYJLYCZQAVRJCE-QHCPKHFHSA-N 441.597 4.986 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C)c1ccc(F)c(F)c1 1478472832 VIYZMXGHCUCNHP-WOJBJXKFSA-N 432.421 4.683 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1503466236 DTECYSODJOTVSV-SJLPKXTDSA-N 441.988 4.719 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507555081 GAAJQTUHPCRWAK-MNZLEMJZSA-N 431.353 4.885 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1nccs1 1507662203 FJNPWXIEFOGISO-MSOLQXFVSA-N 449.649 4.855 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 1507744253 QAIKCWVNALRBRG-UHFFFAOYSA-N 437.613 4.642 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(C#N)o1 1507770662 WFUGDQMQOZOSIY-AREMUKBSSA-N 443.551 4.794 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCCCC2=O)CC1 1507899444 HKHBJXZCDAEUMP-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2snnc2C)CC1 1507909383 DCDXQGIWXKUARA-UHFFFAOYSA-N 447.033 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1507919212 MEYWRBCLFZWMRF-YADHBBJMSA-N 438.616 4.939 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccc(OC)cc1 1507973125 SPXIMFKLZANCEI-QGZVFWFLSA-N 438.597 4.841 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccco1 1508035786 DYLIOCMDWNIXQF-UHFFFAOYSA-N 431.540 4.633 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@H]2CC(=O)Nc3ccccc32)cc1 1516868939 GTFFOJUAMMTOOA-OAQYLSRUSA-N 427.479 4.742 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@H](c2cccc(F)c2)C1 1519093754 GGDNCRGPBHQIPB-FQEVSTJZSA-N 443.906 4.785 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1 1521131981 UDMHWSRAYNLHCZ-UHFFFAOYSA-N 431.414 4.576 30 10 IJEE C=CCCC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1C)c1ccccc1 1521476108 RSXRHLDJYLRRME-LJQANCHMSA-N 429.358 4.952 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1525031929 FWNLGMQSPWQEKY-YRNRMSPPSA-N 425.916 4.835 30 10 IJEE C=CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccc(F)cc2)c1 1525318960 USUUHMFRBTWEJS-UHFFFAOYSA-N 436.936 4.556 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)cc2C1=O 1527617303 WNSQTVJTQIQLME-UHFFFAOYSA-N 430.891 4.969 30 10 IJEE C#CCCOc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 1529285069 JHBUBWZUKXUJIC-AREMUKBSSA-N 438.527 4.997 30 10 IJEE N#C[C@@H]1CN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CCN1Cc1ccccc1 1530964934 HVCDXYNFCLTBGE-MUUNZHRXSA-N 437.587 4.715 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(I)c2C)cc1OC 1536816645 IWVSGFAWGZWGKG-LUAWRHEFSA-N 449.288 4.825 30 10 IJEE N#Cc1nc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)ccc1Br 1537238217 FAXSTLYFWOFJKO-UHFFFAOYSA-N 436.313 4.558 30 10 IJEE C[C@@H](C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)n1ccc(C(F)(F)F)n1 1538430697 GRWUNPOYIVOWMO-LBPRGKRZSA-N 437.359 4.969 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)CCCC1(C)C 1538658335 YBNJZULSUHKIIW-XXBNENTESA-N 440.609 4.933 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCC1(F)F 1538984371 HHGFZKMWRFMCFX-GOEBONIOSA-N 437.332 4.991 30 10 IJEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CC#N)cc1 1539049217 DDJGUUYXMSRDOH-QGZVFWFLSA-N 425.488 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC[C@@H](OCC)C(C)C 1539357266 GAJFNOOTNHXNQZ-LJQANCHMSA-N 433.394 4.618 30 10 IJEE C=C(Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC(N)=O)c1ccccc1 1539764974 BQSVKHLPUCMASQ-SJLPKXTDSA-N 449.624 4.545 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1539832742 XYTJZNWYNUMHJU-ICSRJNTNSA-N 443.389 4.845 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539896053 GHPPOUXLDMWJFU-WOJBJXKFSA-N 442.629 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C)(COC)CC1 1539906663 SHDDAEAFPRXZNJ-UHFFFAOYSA-N 442.604 4.818 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOC1 1539945447 OJHJTWVBZLIGGT-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1CCC(OC)CC1 1540056620 NXNFWDWCYOBNFJ-UHFFFAOYSA-N 439.648 4.754 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1SC 1540186478 CLDRQHKJLDEJNZ-HXUWFJFHSA-N 438.597 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2cc(C(C)(C)C)no2)C1 1540883677 CRTJFNOBYQRNAB-IRLDBZIGSA-N 449.599 4.935 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1C1CCC1 1540911261 VMPNRLXLNJLLSV-QGZVFWFLSA-N 436.423 4.724 30 10 IJEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CCO1 1546085107 DYZHWWWQAYBHRJ-NRFANRHFSA-N 427.961 4.585 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 1546209758 CWNUZSDWIGLKJQ-UHFFFAOYSA-N 445.585 4.722 30 10 IJEE COCCC1(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCCCC1 1555438818 ABLBVAKXMJYKJJ-OFNKIYASSA-N 429.609 4.637 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O 1556994602 IFQZNKWZURZTTN-HNNXBMFYSA-N 445.744 4.861 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)O[C@@H](C)C2)nc2scc(-c3ccccc3)c2c1=O 1559330864 SPFGOASRRVHSHD-IRXDYDNUSA-N 441.622 4.512 30 10 IJEE CC[C@H](Cc1ccccc1Br)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl 1561485820 GXWGRKWVYFIRMZ-OAHLLOKOSA-N 441.778 4.616 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(C#N)C1 1585376128 IXJPUIMDBYUYDG-SQHAQQRYSA-N 445.563 4.702 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(F)c(F)cc1I 1586658404 ZJQVJSOAHCICPA-UHFFFAOYSA-N 427.232 4.788 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 1587522153 NKIDKMQQYSOCJQ-CYBMUJFWSA-N 440.821 4.741 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1587719329 ZQIUWTXSDRMUQM-VQTJNVASSA-N 439.673 4.998 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1CCC(F)(F)CC1 1587937726 SWHRZRWMQIITNX-UHFFFAOYSA-N 429.334 4.664 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(C)CCCS1 1588006970 WCOPNYAVMUMFHY-QFIPXVFZSA-N 433.021 4.607 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cccs1 1588162711 YNKWGOOXDZDJPX-UHFFFAOYSA-N 432.593 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1=CCCCC1 1588180358 CVLJSIBUIMUKSW-OAQYLSRUSA-N 432.568 4.780 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CCC(F)(F)F 1589559637 TXFBIYBRGXRXCL-TZIWHRDSSA-N 436.522 4.823 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1594102587 SPLDKAYPWIFQNH-OAQYLSRUSA-N 425.596 4.532 30 10 IJEE C=CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1c(C)nn(C)c1C 1594644916 GZYLGUZXALSMNG-UHFFFAOYSA-N 431.588 4.624 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC(C)(C)C 1594728029 WHRLLUQUOJYHQL-IBGZPJMESA-N 449.640 4.610 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(=C)CC1 1594792933 AYNCCLPVXBNYRA-UHFFFAOYSA-N 431.378 4.765 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1cc(C)nc(N2CCCC2)c1 1595243993 NEHITROQLPYBGI-UHFFFAOYSA-N 434.588 4.582 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C[C@H](C)C1 1595659191 VAJJCVZFGHZNRY-ROUUACIJSA-N 437.613 4.729 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 1596808850 BIQDFHQJQGEDJP-LJQANCHMSA-N 430.524 4.816 30 10 IJEE C=CCNc1ncc(C(=O)N(CCCN(C)C)Cc2ccc(Cl)c(Cl)c2)s1 1597750330 KMJBGKSHLZGUMZ-UHFFFAOYSA-N 427.401 4.642 30 10 IJEE N#Cc1ccc(NC(=O)CCN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1Cl 1617161731 CCKCFPFLLOOWBN-LJQANCHMSA-N 437.849 4.633 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(C)CCO[C@@H]1C1CC1 1619100996 BZTQFMKINCWUGM-OFSQETHSSA-N 443.979 4.551 30 10 IJEE CC[C@H](CO)N(C1CCC(C(C)(C)C)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1620449998 GRRJULVXBXBQCZ-RTIYUPOBSA-N 425.617 4.731 30 10 IJEE COc1cccc([C@H]2C[C@H](C)CN2S(=O)(=O)c2sc3ccc(C#N)cc3c2C)c1 1621959565 CTMFZJRRPZELBU-VBKZILBWSA-N 426.563 4.862 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1sc2ccccc2c1Cl)c1ccc(Br)cc1 1622180538 VRIFANFVAKNHRG-CQSZACIVSA-N 440.771 4.970 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1)c1ccc(Br)cc1 1623093781 INOUWQVMPUPDMH-PPHZAIPVSA-N 447.398 4.992 30 10 IJEE C=CCN(C(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1)c1ccccc1 1629069992 AOHZXHUIUONPJH-UHFFFAOYSA-N 431.492 4.646 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1Cc1ccc(OC)cc1 1632211587 HOEDMTIRYHRKGG-IFMALSPDSA-N 430.589 4.868 30 10 IJEE COc1ncc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1C#N 1637829560 DWXSMZMMAYMNCE-UHFFFAOYSA-N 438.281 4.556 30 10 IJEE N#Cc1cc2c(nc1OCC(=O)Nc1ccc(NC(=O)c3cccs3)cc1)CCCCC2 1641365164 BQLRFHZXQACTQZ-UHFFFAOYSA-N 446.532 4.553 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCCN(c2ccc(C#N)c(Br)c2F)C1 1651321524 XQKGBIOYYPYUET-AWEZNQCLSA-N 426.330 4.734 30 10 IJEE C[C@H]1CN(CCOc2ccc(CCNc3c(Br)cccc3C#N)cc2)C[C@@H]1C 1651694966 BSYUERYEVYQFIM-ROUUACIJSA-N 442.401 4.942 30 10 IJEE C=CCC[C@@H](NCc1noc(CNC(=O)OC(C)(C)C)n1)c1ccc(C(F)(F)F)cc1 1653041852 QYEPAESUFDCMTP-MRXNPFEDSA-N 440.466 4.910 30 10 IJEE COc1cccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)OC)c1 1658869378 FQOVUBNEFQWVKT-DEOSSOPVSA-N 447.491 4.877 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCOc2cc(OC)ccc21 1662573436 JNVFJLFULQLPRD-MRXNPFEDSA-N 433.302 4.668 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1Cc2cccc(Br)c2C[C@H]1CC)C(C)C 1665702190 ZBRIWZWHYVBDLU-DENIHFKCSA-N 448.449 4.994 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(Cl)cc3-n3cccc3)CC2)c1 1668344779 BRCKBPMWMLKBAN-UHFFFAOYSA-N 433.943 4.788 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 1668574648 FRJWCYWESUHDPS-AVRDEDQJSA-N 439.943 4.532 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 1670198881 OURTZKKFHAOVCW-UHFFFAOYSA-N 435.293 4.637 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1)[C@@H]1CCCO1 1673338041 YFFFKDCTYHHXCJ-OALUTQOASA-N 435.362 4.711 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccc(F)cc1 1674014603 DBWMPJHREKBVGQ-PGRDOPGGSA-N 438.547 4.985 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1)c1ccccc1 1674026442 ZOIVWNJLDMTROO-HSZRJFAPSA-N 433.552 4.756 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCN([C@H](CC)c3ccc(F)cc3F)CC2)cc1 1682443386 ZZNDXSWXIVVMED-HSZRJFAPSA-N 429.511 4.508 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 1682720271 ZYZVIOIFBBPXEY-UHFFFAOYSA-N 429.511 4.649 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1689834045 WAZTXZIUGQKGMC-CABCVRRESA-N 425.989 4.686 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC[C@H](OCC)C1CCCC1 1689948880 JGWMBBFYOULYTB-FQEVSTJZSA-N 445.405 4.762 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690024205 WNUFSZHHFQAFIE-LEWJYISDSA-N 428.502 4.820 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccccn1 1690059722 WJLWMIWEWPEZER-LJQANCHMSA-N 437.975 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)cc1 1690245154 DLAZIKCYTMRVKC-MJGOQNOKSA-N 431.378 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCCN(C)C(C)C 1690258772 SWOZAEWLDSSALS-UHFFFAOYSA-N 440.455 4.902 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC(C)(C)C1 1690302908 NVNUHIQVFAPGMN-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1690322630 KTFUZIZWJIEJKH-IBGZPJMESA-N 437.975 4.960 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1690480294 DZYIKAKZJVYIIF-UHFFFAOYSA-N 429.572 4.953 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C(C)C)C1 1690502862 IJNNLLVHDFYGQC-LJQANCHMSA-N 439.000 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1690590243 RRUGITDRIFOKPU-NHCUHLMSSA-N 437.632 4.889 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1690655484 XAAJUPMSPDDJEU-VAMGGRTRSA-N 430.980 4.614 30 10 IJEE CC(C)(C)OC1CC(CCn2c([C@@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)C1 1691286750 DHUMGLYRLNNYOW-CBNMVNINSA-N 429.609 4.634 30 10 IJEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)C1 1694865207 BBOXUNATMUBDSB-XLIONFOSSA-N 448.571 4.764 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C 1695734624 AUSNZHPYGYKJNK-NRFANRHFSA-N 434.613 4.808 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1705534702 OXAYKTNBWFQUKL-KRWDZBQOSA-N 429.634 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@@H]1CCOC1 1705590169 DGRMSSIOMRNMFV-QGZVFWFLSA-N 438.984 4.703 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1nc(C(C)C)cs1 1705617886 KZCFGNYFJMMIFO-UHFFFAOYSA-N 425.627 4.967 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H]1OC 1705621063 PXMSURZQVJNSNS-RBBKRZOGSA-N 438.572 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1705713741 RIJRAOPWOVQBJN-LJQANCHMSA-N 427.593 4.993 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1C 1705739365 DNADYYRMNOSDDG-HNNXBMFYSA-N 425.360 4.745 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705799047 KBCOSKYQGVGUFT-IEBWSBKVSA-N 429.634 4.942 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCC[C@H]1C 1705868048 ADBZIOJBZWFQJN-HOYKHHGWSA-N 440.588 4.813 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CCOc1ncccc1F 1705871195 ASTKNIMJEDJIAI-UHFFFAOYSA-N 431.874 4.529 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2sccc2[C@@H]1CC 1705948360 QOQSDZQNKRGPMP-IBGZPJMESA-N 442.658 4.634 30 10 IJEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2ccco2)C1)C(C)C 1706562613 ATADNHDRAWOCJR-QHCPKHFHSA-N 446.599 4.913 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@H]2C)cc1 1710533391 APZIUWUZGKQJOF-WTGUMLROSA-N 425.577 4.849 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1c(C)noc1C 1722299895 UWRXJQMRLQQPCV-GOSISDBHSA-N 435.572 4.594 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCCCCC1 1722325882 PJUPMEAPHJJYDU-UHFFFAOYSA-N 431.378 4.900 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722325940 CSFKXYOLQHDIAL-IYBDPMFKSA-N 431.378 4.612 30 10 IJEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1722456194 UNEOXUVEEAUFRM-UHFFFAOYSA-N 431.609 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cc(C)on1 1722494524 CNTHIIFAZRQSAN-YWZLYKJASA-N 445.926 4.652 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1cnn(-c2ccccc2)c1 1722511827 MYSPZIQIAULJAI-UHFFFAOYSA-N 447.974 4.824 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1722529228 XFIHHFKKNDHUKM-GOSISDBHSA-N 441.601 4.842 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCCS2)CC1 1722569610 HPLNMCWQSQNZAG-LJQANCHMSA-N 428.602 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1722587873 CUMDPQODZRUQKT-QFIPXVFZSA-N 439.623 4.923 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1722596215 FFJPTCXHDQGGTA-OAQYLSRUSA-N 447.549 4.980 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1722614881 FRNRDGUSDWOWFM-QGZVFWFLSA-N 438.498 4.543 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCN1C[C@H](C)C[C@@H](C)C1 1722636047 CQNMEQONLWRXMO-QZTJIDSGSA-N 446.437 4.698 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1 1722660802 HDLBPVJDKVWVKC-NHCUHLMSSA-N 449.574 4.801 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCCCC1 1740574502 GDNKEKKTDYETEG-UHFFFAOYSA-N 443.636 4.965 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1740595000 HXGFUPHYHVZXLQ-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](F)c1ccc(Br)cc1 1740605585 USBLCNYMDBRBRL-INIZCTEOSA-N 448.727 4.536 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCc1cccs1 1740722433 FICGWQHZTIGTIU-WOJBJXKFSA-N 446.686 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1740764909 LERIJTJSIHSZFQ-WOJBJXKFSA-N 439.604 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1nc(C)cc1C 1740773355 XUFXDDAKEBLLPJ-UHFFFAOYSA-N 445.571 4.906 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CCN(CCC)CC1 1740779715 WXEASDOOORIWMJ-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1740790152 PUJKZAVSUTVNFI-IBGZPJMESA-N 441.938 4.719 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CCC#N)CC1CC1 1740804455 AAJMTVLTZMIXCE-UHFFFAOYSA-N 434.769 4.899 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(COC)CCC2)CC1 1740819925 JWRCAVCNPKYCGE-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCOC(F)(F)F)CC1 1740825901 ZKWNBOKSOAAPAA-HNNXBMFYSA-N 428.430 4.640 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1)c1ccccc1 1740854115 LIBVYZNGSDXBLT-JOCHJYFZSA-N 447.583 4.555 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@H](C)C1)C1CC1 1740915495 JAOLSZZINNJYLH-CADBVGFASA-N 429.609 4.640 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1C[C@]1(N(C)C)CCSC1 1740923352 JZVGCHMTPWLAKU-JOCHJYFZSA-N 431.675 4.627 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCC[C@@H]1C 1740923375 KUWSQLPMMYYEFR-CPJSRVTESA-N 436.625 4.983 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1Cc1nccc(C(F)F)n1 1740935530 OLQBAYYNEZXFGC-UHFFFAOYSA-N 438.526 4.947 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1740942348 MDILGXQDHVAXJP-RDJZCZTQSA-N 443.539 4.566 30 10 IJEE Cc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(C)(C)C 1742395164 XBFBWUBSYJTWEF-UHFFFAOYSA-N 430.556 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(COC)CCCCC1 1748639529 IQRUFDGMVVHKEU-OALUTQOASA-N 428.552 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1cccc(C)n1 1748646824 FKKVVJDSBBTTMA-FQEVSTJZSA-N 438.579 4.757 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1748702616 NRVDEZUSEMNAPC-UHFFFAOYSA-N 448.958 4.502 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(Cl)=C(Cl)C1 1749249689 ODENYJGJZBUXNB-UHFFFAOYSA-N 440.762 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccnc(SCC)c2)CC1 1749334445 CZWKVWZAKOWOSS-UHFFFAOYSA-N 435.597 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1749360275 XHVKUZRVVOSPFD-DEOSSOPVSA-N 441.551 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1749370082 AYQNDPQNJDZLIL-UHFFFAOYSA-N 436.522 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(OC)cc2C1 1749370985 WJGVCSSKEUXXJW-UHFFFAOYSA-N 437.613 4.807 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1749400453 BQCRJBGCSNIWOF-UHFFFAOYSA-N 426.996 4.685 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCSC2(CCCCC2)C1)C(C)C 1749556995 FBTWEYZPIKZSAS-NRFANRHFSA-N 431.694 4.795 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1749573878 KLLKOOAQAYCDLF-QHCPKHFHSA-N 432.572 4.549 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1snnc1C 1749587257 MXBVXHMJJSRIBM-UHFFFAOYSA-N 440.960 4.635 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccccc1C 1749761153 VWTSLNKLETZFOB-QFIPXVFZSA-N 436.629 4.709 30 10 IJEE CS[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1750251095 AHJZZTTXPWMAEM-FQEVSTJZSA-N 429.609 4.916 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(CC)s1 1760101589 SQEQRGSNSHAGQH-AWEZNQCLSA-N 429.387 4.838 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CCC)CCC1 1760112526 IMKOUXBBNCQYLZ-LJQANCHMSA-N 443.636 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCOC1CCCCCC1 1760229640 ZNQPUKHMGHFLOC-UHFFFAOYSA-N 430.980 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCC(C)(F)F 1760289024 LUTOUEIBSKCERH-VGOFRKELSA-N 432.515 4.854 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1760332504 DNHCZNVJZMLPMF-DEOSSOPVSA-N 448.615 4.532 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)Cc1cnn(C)c1 1760351299 CZTPQQNDDBUEBY-UHFFFAOYSA-N 436.604 4.595 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1760361123 SPBHZPBNCDIMEI-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2CCCCO2)CC1 1760385056 LXHKEIAURGJNMK-LJQANCHMSA-N 431.378 4.823 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1760403472 UDHLCFXEGCQJDP-FQEVSTJZSA-N 425.596 4.532 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2sc(C)nc2C)CC1 1760404503 CDPUNMZPNUTULI-UHFFFAOYSA-N 441.576 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC=C(COC)CC1 1760408192 FGJMNTFILLWBDO-UHFFFAOYSA-N 430.980 4.992 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760414255 KQUYWDVSBKXMSX-SFHVURJKSA-N 443.586 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1760414309 MQQOYIGPDZEOQP-OFNKIYASSA-N 431.584 4.833 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 1760421440 OVZYXVYXOIVLQZ-GOSISDBHSA-N 438.601 4.724 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)C)CC1 1760444063 VXDPPRONJRJOIE-UHFFFAOYSA-N 438.403 4.661 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCC[C@H](C)C1 1760466586 AHEYEZXFLFZXQI-NRFANRHFSA-N 425.621 4.643 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1760467947 BTFFYBHCZWATQS-QFIPXVFZSA-N 447.004 4.964 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1csc([C@@H](C)OC)n1 1760468261 NLKNINSBWDFECU-MRXNPFEDSA-N 429.615 4.713 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@]1(C)CCCS1 1760477975 QJBXWUKCMUZEPT-DEOSSOPVSA-N 435.597 4.827 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1760478801 SAEMPOBCAHCBJW-SFTDATJTSA-N 434.632 4.760 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OC)C1 1760561583 FVTXSRQNYKDENS-OAHLLOKOSA-N 427.401 4.786 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(C)(F)F)c1 1761711116 CSHJJAVCFFDFOZ-QFIPXVFZSA-N 435.494 4.776 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCc1nc(C(C)(C)C)cs1 1767090586 FQBJYBWZSHEFQC-UHFFFAOYSA-N 434.613 4.735 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 1772789548 AXGDFKHXILGJST-IBGZPJMESA-N 425.412 4.553 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CCSc3ccccc3)nc12 1859656015 KRTQPTPMUPBYKB-UHFFFAOYSA-N 443.532 4.730 30 10 IJEE COc1cc(Nc2ncc3c(c2C#N)CCCC3)c(OC)cc1NC(=O)c1ccccc1 1859840059 GRQGVHGIEHBJGH-UHFFFAOYSA-N 428.492 4.845 30 10 IJEE COc1ccc(OCCCSc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860825085 MEQDWTNCKAGTBF-UHFFFAOYSA-N 427.913 4.944 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862413542 GDGRAIKHOVLDIK-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2cc[nH]c2c1 1862490918 HMPCXFWYMSYROB-DEOSSOPVSA-N 445.563 4.705 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 1862524697 LHYQLHSAIVTQPG-XIKOKIGWSA-N 432.289 4.965 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862559546 QRHJUQQGMNXQSY-DEOSSOPVSA-N 442.515 4.754 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Cl)cc1 1862592166 WQXRVKGKGGCMJS-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1Cl 1862632835 YVRUPJLEFBTVII-SFHVURJKSA-N 434.275 4.710 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(O)c(OC)c1 1862705140 QRUSUMGBLWVTCP-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Br)cc2)c1 1862710450 WFJGVOPJPVTMLX-IBGZPJMESA-N 444.325 4.692 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)ccc1O 1862716672 LJVWYKOSPRMUCL-HSZRJFAPSA-N 429.472 4.685 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1863145763 GNFXDTRTBIXRJK-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(CCc2ccccc2)C1=O 1863179916 MFZFCMKYPBKJKK-UHFFFAOYSA-N 427.891 4.646 30 10 IJEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(CCc3cccs3)C2=O)c1 1863495125 DQPYLZQZWRSNOR-UHFFFAOYSA-N 438.512 4.536 30 10 IJEE CC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867739976 HHNLMMQHOZZETE-HOTGVXAUSA-N 438.742 4.845 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCN(CC)CC2)nn1-c1ccccc1Cl 1870042462 BQTNOXDLRBIFTH-UHFFFAOYSA-N 447.027 4.752 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CN(C)C 1870415258 BLPYMAIITZZKSK-NRFANRHFSA-N 441.616 4.527 30 10 IJEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870416615 GRKCNARHJFVVSH-DHIUTWEWSA-N 442.648 4.962 30 10 IJEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 1871447870 FTXMVZAZEDJNBR-QFEZKATASA-N 432.472 4.950 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871670864 TYLDDVDVANPOPY-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872281755 MPIKJANBFIUGBH-YWZLYKJASA-N 438.952 4.709 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872282097 OJUIAYJHNJVZNC-FZKQIMNGSA-N 444.981 4.771 30 10 IJEE CCCCCCCCCCNC(=O)Cc1nonc1OCC(=O)Nc1ccc(C)cc1C 1872650059 FAHITBMUJNUVBM-UHFFFAOYSA-N 444.576 4.503 30 10 IJEE C=CCNC(=O)c1ccc2nc(-c3ccc(OCc4ccccc4F)c(OC)c3)[nH]c2c1 1872730028 HFEDFNFJJCCPQP-UHFFFAOYSA-N 431.467 4.872 30 10 IJEE N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(Cl)c2)cs1 1872767063 RYJQGAVLFZQEHG-PKOBYXMFSA-N 435.936 4.688 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@@H](C)CC)cc2)=C(c2cc(C)ccc2C)C1=O 1873396783 WSKJSJYESFQDKZ-SFHVURJKSA-N 432.520 4.637 30 10 IJEE CCOc1cc(/C=N/Nc2cnn(C)c(=O)c2Cl)ccc1OCc1ccc(Cl)cc1 1873526124 NWHMXAOTQIDOHV-BHGWPJFGSA-N 447.322 4.511 30 10 IJEE N#Cc1ccc(CN2CCC(NC(=O)CCCOc3ccc4ccccc4c3)CC2)cc1 1873724653 SORPMPJLMQELAP-UHFFFAOYSA-N 427.548 4.651 30 10 IJEE CCCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(O)c1 1874209101 CCQRSLZZEXIOMP-FYJGNVAPSA-N 431.359 4.721 30 10 IJEE CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc(Br)c1 1874259518 DWPRHOBBLVJICH-ZVBGSRNCSA-N 439.285 4.502 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccccn2)cc1 1874296201 PEMGPUBEIBBULY-MFKUBSTISA-N 444.520 4.655 30 10 IJEE CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cccc(Br)c1 1874309078 DGNVXCXEKODDAD-HYARGMPZSA-N 445.386 4.829 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 1874417087 XILMMPVGXOBIPN-LFVJCYFKSA-N 429.505 4.952 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)c1 1874482340 AVJQSWKUQORHFG-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C(C)C 1874510103 GRVQQKSJGDRRDJ-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE C=C(C)CSc1nncn1/N=C/c1cc(Br)c(OCCCC)c(OC)c1 1874537178 QTFIKMQRPYGXNO-UFFVCSGVSA-N 439.379 4.779 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2-c2cccs2)c1OCc1ccc(F)cc1 1874558928 IRLMVSHBPVQSJO-FSJBWODESA-N 440.525 4.904 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2Cc2ccccc2)c1OCc1ccccc1F 1874559054 SIBHCWYZPSSODL-CVKSISIWSA-N 448.523 4.767 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1F 1874597500 QHSXEYODGGTDJZ-IYPOZPNPSA-N 433.479 4.987 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)o1 1874605859 JHSTVOAZEQXNPC-DHZHZOJOSA-N 436.460 4.949 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(CCCOc3cccc(C)c3)nnc2s1 1874771512 KAYAXXRHCPPDFK-UHFFFAOYSA-N 443.617 4.873 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1OC(=O)CC 1875193490 MHOGKKHHWFHHCZ-SOFGYWHQSA-N 433.844 4.867 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1930726948 QYHVZDKJWSRJDB-TZMCWYRMSA-N 434.172 4.681 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C#N)cs1 1952146947 CXTHXBICIBOSTI-DEOSSOPVSA-N 432.501 4.848 30 10 IJEE Cc1cc(C#N)cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1952853222 LUAIMFMOSDDCBB-RPLLCQBOSA-N 438.483 4.705 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C2(C)C)c1 2015048352 ODVSCONFAGDPKA-HSZRJFAPSA-N 431.533 4.728 30 10 IJEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1F 2080126345 NXTKNSJTFJXAOD-AWEZNQCLSA-N 432.240 4.929 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)cc2C#N)C(F)(F)CC1 2092408647 WAHKJSAJMRWRHQ-HNNXBMFYSA-N 430.293 4.767 30 10 IJEE COc1cc(NCc2occc2B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C 2101329975 XCGIQTPYNFMLKD-UHFFFAOYSA-N 444.337 4.547 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1cccs1 2124724383 PWJRIKPMFYKUFY-OAHLLOKOSA-N 436.331 4.587 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)c1cc(Cl)sc1Cl 2157047099 FZKAMJQHRXAOEL-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE C[C@H]1[C@H](C(F)(F)F)N(c2cc(Br)cc(C#N)c2)CCN1C(=O)OC(C)(C)C 2174818350 YQPMGJRDRCULFR-XHDPSFHLSA-N 448.283 4.697 30 10 IJEE CC1(C)CC[C@@H](C(=O)Nc2ccc(C#N)cc2Br)N(C(=O)OC(C)(C)C)C1 2181106680 YTVQOACKDPNAHK-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@H](Oc3cc(Br)cnc3C#N)C[C@H]21 2198816037 SJPBVQRLAMMKKJ-FRFSOERESA-N 436.350 4.663 30 10 IJEE C=C1C[C@@H]2CCC[C@H](C1)N2C(=O)c1ccc(Br)cc1I 2207274626 DAWKFKKQARYILH-BETUJISGSA-N 446.126 4.767 30 10 IJEE N[C@@H](CC#Cc1sc(Br)c(Br)c1Br)C1CC1 2212248741 DRPDBAOTDLJKKQ-ZETCQYMHSA-N 427.987 4.515 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1C(C)C 2224265402 GRKHJWXOEJEUED-PBHICJAKSA-N 429.403 4.737 30 10 IJEE CCC1CCC(NC(=O)OC(C)(C)C)([C@@H](N)C#Cc2ccccc2Br)CC1 2235720646 HTPHKSMOXMNXHL-UEUGHCDMSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](O)C#Cc2cccc(Cl)c2)C1 2248460668 LYBXTCWFKRVKFI-QFIPXVFZSA-N 441.955 4.506 30 10 IJEE N#Cc1ccc(NC2CCC(NC(=O)OCc3ccccc3)CC2)c(Br)c1 2249986580 RSBGBYIUOVYNOM-UHFFFAOYSA-N 428.330 4.970 30 10 IJEE C=C([C@@H](NC)[C@](C)(O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2266556216 FHRYFGLYAPVPTM-DGCLKSJQSA-N 427.278 4.502 30 10 IJEE C=CCC1(Nc2c(Br)ccc(OC)c2N)CCN(C(=O)OC(C)(C)C)CC1 2286075227 AZIZCAITKSLTPT-UHFFFAOYSA-N 440.382 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@H](O)C#Cc3ccc(Br)cc3)c21 2296289287 PZNXPYJSAKWJME-LJQANCHMSA-N 428.326 4.832 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2296293884 OBYSGVQSVDHCCE-OXJNMPFZSA-N 445.348 4.717 30 10 IJEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(C)o4)[C@H]3c3ccco3)sc2c1 2296775447 HHYLVBKPOFMBRJ-LJQANCHMSA-N 434.473 4.979 30 10 IJEE N#Cc1ccc(CSc2cc(I)ccc2Br)cn1 2316466129 UYLKAPBRRGBWBN-UHFFFAOYSA-N 431.096 4.613 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2320971719 XMIUBKSKYUFEDH-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2OC)C4=O)cc1 2321944919 LDJPTEJQWTZJMC-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(F)c1)Nc1nccs1 2322781762 PCVQOEFQLISERS-UHFFFAOYSA-N 434.851 4.988 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC 2323044345 PVLOYTIIKPPYOV-UHFFFAOYSA-N 440.496 4.527 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)c1 2323178048 BADSJORYIFYWJG-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)c1OC 2323190332 SJWXPSNSFDIVKK-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccco2)cc1OC 2326193615 WEIQNIAFPFETHL-UHFFFAOYSA-N 448.548 4.848 30 10 IJEE CCOc1c(C=Nn2c(CCCOc3ccccc3C)nnc2SC)cccc1OC 2327048003 KMRHTFZLWRFWOL-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cn(C)c2ccccc12 2328503558 SYDLMPPCIWXSBE-UHFFFAOYSA-N 434.525 4.653 30 10 IJEE Oc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)c(O)c1 2329341379 ZWZNQKHSZVDAGX-UHFFFAOYSA-N 446.532 4.581 30 10 IJEE COc1cccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)c1O 2330392246 RPGQUKIHMDBQCY-UHFFFAOYSA-N 436.562 4.819 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc2c(c1)OCO2 2331077881 IAPYONWZYKYQDB-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2C(F)(F)F)ccc1OCCc1ccccc1 2331105230 UELKXKIDLYLJDN-UHFFFAOYSA-N 436.459 4.531 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2)c1 2331122278 XZBWGDYHWDZFBZ-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(F)cc1 2331382247 PBAMVNCHRBMLDH-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1c(OC)cccc1OC 2331540046 YRTMHFLIRRXGRT-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)[C@H]1CCCO1 2331879028 VRHHIBABGVHFHX-OAQYLSRUSA-N 430.884 4.728 30 10 IJEE CCN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(Cc2ccccc2)C1 2339535972 HEKSXGRSSMISOZ-QHCPKHFHSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339586856 LYZZOEGOUORSKZ-OUKQBFOZSA-N 443.397 4.564 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339595088 FKCJSENCDHRIJT-CONOYDDESA-N 444.381 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CC2CC1(COc1ccc(C=CB3OC(C)(C)C(C)(C)O3)cn1)C2 2339599598 GVFZIZXQVFMJEO-UHFFFAOYSA-N 442.365 4.505 30 10 IJEE C=C(C)CC[C@@H](C)N[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376687019 ZRGAPFRITDKOSO-YMTOWFKASA-N 425.186 4.907 30 10 IJEE Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc(C(=O)O)cc4)nn32)cc1 9856501 SCHYXUWIRBSFOK-OAQYLSRUSA-N 446.532 4.599 30 10 IJEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN1CCOCC1 26771515 NEHOOTOVVLNUDJ-BJTUFNSYSA-N 429.601 4.996 30 10 IJEE biogenic O=C(COc1ccccc1/C=C1\S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1 33291102 IKQIEWYRQDAXOE-QNGOZBTKSA-N 429.501 4.596 30 10 IJEE Cc1ccc(C(C)C)c(OCC(=O)c2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)c1 38620134 ZCWGFPQHWOZOFW-UHFFFAOYSA-N 444.531 4.670 30 10 IJEE Cc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n([C@@H](C)c4ccccc4)c3O)c(C)c2c1 38623538 CYUZHRZZCXDJPQ-KRWDZBQOSA-N 426.472 4.937 30 10 IJEE C=CCc1ccc(OCCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)c(OC)c1 40198389 RNAKYIBRYHEHNI-UHFFFAOYSA-N 449.595 4.947 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)c1 41287613 SCXCWZQTODHOGQ-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(Br)cc3F)C2=O)cc1 96546865 OVTVWCFBHOAJQL-NRFANRHFSA-N 447.304 4.510 30 10 IJEE CN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 105534562 WFIHCCRCIINFOX-OAHLLOKOSA-N 442.755 4.919 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OC(=O)c3ccccc3)cc2)NC(=S)N1C 169935116 XJOAVDKUNORKJI-QHCPKHFHSA-N 442.540 4.924 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OCC(C)C)cc1 169990317 IPSSLCMIRVPGHS-NRFANRHFSA-N 443.927 4.600 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170043800 MYSUQAJKLSNHLT-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 170051616 SILCPPZOAJVYCZ-NRFANRHFSA-N 447.874 4.910 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3cc(C)ccc3[nH]2)[C@H]1c1ccccc1 170055846 YRIDCJAFRBSBGA-QFIPXVFZSA-N 439.471 4.663 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2F)c1 170069224 QGSRMWNVSFWXGK-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170114622 CAKYCKNAIQLPKJ-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccs1 170155990 JTXJPSGIZRVFKW-LJQANCHMSA-N 427.428 4.818 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccn2)c1 170170527 HTXPTGJHBOAPRH-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccnc1 170190985 YMRFNWHSCCVSKY-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1cccnc1 170195439 DHDDFBYGHZXPHN-LJQANCHMSA-N 433.533 4.892 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)cc1 170227477 PCYARYOKBWWXSL-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccco1 170295231 NZDNQMISAVADGS-QFIPXVFZSA-N 438.568 4.806 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccco1 170296024 SUXFTCHVCVADGY-NRFANRHFSA-N 435.451 4.823 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(C)o1 170311399 AWPQAWVWFGXQKI-OAQYLSRUSA-N 439.414 4.653 30 10 IJEE Cn1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(F)cc2)c2ccccc21 170424261 YCPZGXIVQNAMDI-QFIPXVFZSA-N 430.435 4.689 30 10 IJEE COc1ccc(C=Nn2cnnc2S)cc1COc1c(Cl)cc(Cl)cc1Cl 254757741 CKOHUIPDZOROKC-UHFFFAOYSA-N 443.743 4.997 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 460384812 DGDIBSWPDPKBSW-ZJSXRUAMSA-N 446.551 4.889 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC1 461607768 ITOWEBIYAFPGFJ-QGZVFWFLSA-N 446.393 4.510 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2Cl)nnc1-c1ccco1 482198658 MJAWYBMMONUAJZ-ZDUSSCGKSA-N 434.924 4.876 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccncc1 489398571 SPEFYLYIRXOLPC-UHFFFAOYSA-N 448.577 4.771 30 10 IJEE N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O 489926678 JAWDBABAVIMQPV-UHFFFAOYSA-N 429.501 4.692 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 508682116 MMIMQTYEHJFFEG-QGZVFWFLSA-N 447.370 4.696 30 10 IJEE CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1 512822077 DZXOKTFBLJXNKB-OAHLLOKOSA-N 449.482 4.517 30 10 IJEE N#Cc1ccccc1NC1=C(SCc2ccco2)C(=O)N(c2ccc(F)c(F)c2)C1=O 526669350 SQDZCJJKKZBNOL-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CC(=O)Oc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 526799061 BGVVOICAMFUESA-ONUIUJJFSA-N 442.544 4.969 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc1OC 526818720 XKDGEVMXGCXMFI-MXAYSNPKSA-N 440.569 4.875 30 10 IJEE CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 544163691 ZDVKUEVKUDYFTR-QGZVFWFLSA-N 437.927 4.544 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)[C@@H]1C[C@H](NC(=O)Nc2cccc(Cl)c2)CCN1 585826289 QNSLHIMYKNIPFC-HZYCFNBMSA-N 441.959 4.653 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)Cc1ccccc1Cl 586139320 QXPNFDZDJMSUAG-UHFFFAOYSA-N 440.952 4.920 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 609296580 NSVYEXHBWNGRDJ-INIZCTEOSA-N 432.480 4.515 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c(Br)s1 698931404 NLAOVHJJXJKBSI-JTQLQIEISA-N 434.153 4.708 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 699596116 PEGDEDPRJBFIQE-NTKDMRAZSA-N 445.560 4.655 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 733201936 MXFSLNJFIYHWQN-QFIPXVFZSA-N 445.519 4.963 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cnn(C)c2)cc1 741239356 QJKIFAIMAWBLDN-UHFFFAOYSA-O 432.573 4.806 30 10 IJEE COc1ccc(CNC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)cc1C#N 747432483 OVWPHERMYYNLQP-QGZVFWFLSA-N 446.370 4.708 30 10 IJEE N#Cc1cc(NC(=O)c2ccccc2CCc2ccccc2)ccc1N1CCC(O)CC1 754959460 PKPYUXBLBSECPH-UHFFFAOYSA-N 425.532 4.557 30 10 IJEE Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 759206730 HQDNLJWOWAJDPA-QGZVFWFLSA-N 437.908 4.923 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)[nH]2)c1 764810011 NIXIQSGMRXGUPO-RQZCQDPDSA-N 430.817 4.864 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 779916824 GUANWDQMYVULCK-XMMPIXPASA-N 443.544 4.574 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(Cl)cc1Cl 787047897 DRYUCYWPLISJMQ-MZORAGNBSA-N 437.273 4.961 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(F)cc1 812755534 ZDIDGFGXQHIJJP-JOCHJYFZSA-N 426.447 4.857 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Br)c3)n2CC(=C)C)C1 1116952969 FJYAHMRIWWUMIX-QFBILLFUSA-N 447.377 4.538 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1125602853 JBGXXBVLOMPOFQ-XLIONFOSSA-N 430.545 4.784 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3ccc(CCC)cc3)C2)c1 1125777504 ACXMYAZGDBYMHW-QFIPXVFZSA-N 426.516 4.800 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@]1(F)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1126231296 NVWQHJVAMQAWBZ-NNMXDRDESA-N 428.301 4.619 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)[C@H](CCC)C2)cc1OC 1127442023 ZXMBBGKVLKPRQM-DQRYEYLNSA-N 434.580 4.786 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@H](OC)C2(CC)CC)nnc1-c1ccc(Cl)cc1 1127454840 UEIBDBBLCFMOMY-ROUUACIJSA-N 449.020 4.587 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)c2cccnc2SCC2CCCCC2)CC1 1130928644 GQBVGLZFJWYXRT-UHFFFAOYSA-N 426.611 4.650 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](CC(=O)OCC)c3ccccc32)cc1OC 1134560528 VARGMKCRCKCKQI-VSFZPWCASA-N 435.520 4.747 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)s1 1135517200 GUKFMRAVVZWDKN-GFCCVEGCSA-N 437.787 4.505 30 10 IJEE C=CC1(CC(=O)Nc2cc(F)ccc2SCC(F)F)CN(C(=O)OC(C)(C)C)C1 1136921400 CLWHCIYCWSOZFK-UHFFFAOYSA-N 430.492 4.935 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](CC)Oc1cccc(Cl)c1 1149454847 USCRJTSVMNUIET-IBGZPJMESA-N 425.916 4.678 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C)C)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1164489620 RBFLJVXSQWJAIY-ZBFHGGJFSA-N 432.659 4.912 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(C#N)C1 1167597431 IXJPUIMDBYUYDG-RPLLCQBOSA-N 445.563 4.702 30 10 IJEE C#CCN(C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCc2ccccc21 1176451263 ADSSUERUBHMBQN-NQIIRXRSSA-N 448.788 4.855 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 1180195164 SMFNRBRCRHMOFZ-KRWDZBQOSA-N 429.923 4.525 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1cc2c(cc1Cl)OCCO2 1188283082 TZBQQXMPKILBIB-UHFFFAOYSA-N 447.919 4.899 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 1209386298 CQQMOPQLKQHAFP-QHCPKHFHSA-N 438.936 4.605 30 10 IJEE Cc1cc(NC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c(C#N)cc1N(C)C 1219019855 BXRLAZKGHLWBJQ-XMMPIXPASA-N 438.535 4.731 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](CC)[C@H](c1ccc(C)cc1)n1cncn1)c1ccc(F)c(F)c1 1234556206 QKCCKYZLQDONFH-VABKMULXSA-N 439.510 4.849 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1)c1ccc(F)c(F)c1 1234566776 QDKJIYMPFDNMIR-YJBOKZPZSA-N 449.523 4.723 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2ccc(Oc3ccccc3CC)cc2Cl)C1 1255362709 GUYYNOKJCYGAFU-OAQYLSRUSA-N 439.987 4.934 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1 1264919632 ZTTZAJIPDMYIKZ-QFIPXVFZSA-N 444.556 4.921 30 10 IJEE C=CCCCCCN(C)C(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 1265357793 QRRBPODZFLTWAZ-UHFFFAOYSA-N 445.283 4.867 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2cc(C(=O)OC)cc(F)c2C)s1 1266280086 RRWVEEBEOQKGQF-UHFFFAOYSA-N 429.922 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1266467157 HGHOKBKVIWGDCQ-DLBZAZTESA-N 426.542 4.704 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(OC(F)F)c(Br)c1 1273528290 GPIWRKQSTVEDEX-UHFFFAOYSA-N 440.240 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1286274128 IZHSKDWHNSTOIG-MCEYFSPLSA-N 433.644 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1oc(CC)nc1C 1286300538 BBAINTYNHZXXDO-CYBMUJFWSA-N 448.354 4.529 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286318637 XHTZXPVHPJIUCT-LJQANCHMSA-N 440.588 4.548 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C(F)(F)F)n1 1286366210 XXRHDPJXVJRFCP-AWEZNQCLSA-N 445.514 4.663 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(=O)CC(C)C)c1 1286578902 LQJFWGQCICITLE-JOCHJYFZSA-N 439.604 4.955 30 10 IJEE C=C(C)Cn1c(N(Cc2ccco2)Cc2ccc(C)s2)nnc1[C@]1(OCC)CCOC1 1286598612 UKKFSKFQCYZSOR-QHCPKHFHSA-N 442.585 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1286666061 AKSCVBRWDOSGDV-UHFFFAOYSA-N 429.572 4.532 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(C)C)C1 1286693108 LULAZZNRZIXIOL-IBGZPJMESA-N 429.996 4.700 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1286694902 JWMJPJAXBSBLKS-AZUAARDMSA-N 428.552 4.776 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)CC1(C)C 1288559731 CHMQUZXRZRKQKY-LEWJYISDSA-N 434.632 4.954 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccco3)c3ccc(OC)c(F)c3)n[nH]2)c1C 1293745005 FKTABKCSDJRDIF-UHFFFAOYSA-N 449.486 4.664 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2nc(CC)no2)cc1Cl 1296280267 MUGUCRXRSSCVQZ-UHFFFAOYSA-N 449.898 4.955 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)c1nc(C)cs1 1300287096 UBPVWKDCEQFJPZ-UKRRQHHQSA-N 429.977 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1300298699 GWRQQWOEJFGYFC-AQNXPRMDSA-N 432.616 4.641 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)C1 1300477700 QBKJCKYLDBPBQQ-QGZVFWFLSA-N 432.973 4.878 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)c1ccccn1 1300517057 WHKPUWDGJADYKQ-UHFFFAOYSA-N 443.620 4.721 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCC[C@@H]1OC 1300591374 OWYYMJSLJVTXIA-VWNXMTODSA-N 448.611 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCSCC(F)(F)F 1300788551 DCBYOCFFYAQMSJ-GOSISDBHSA-N 428.911 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cnccc1OC 1300901169 MGXPNYZALGTKDZ-UHFFFAOYSA-N 428.540 4.656 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1300963385 URPKFELYXSYGKX-UHFFFAOYSA-N 448.615 4.726 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@H]1C 1300972457 MCPGFHJIBMSTKJ-MOPGFXCFSA-N 448.995 4.506 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1301049634 CBMSMZXJYAJKPP-RTWAWAEBSA-N 429.008 4.990 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCCC[C@H]2C)CC1 1301113840 HYDQBKCBAJYZIK-OAQYLSRUSA-N 432.616 4.874 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1301147901 ISWJAFGHCRNJHZ-GHTZIAJQSA-N 446.542 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301155756 USMXAHBMUDIZHH-SFHVURJKSA-N 440.617 4.683 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1301245179 FTYKVHAFIZBNGD-NRFANRHFSA-N 442.947 4.671 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)CN1CCCCC1 1301280148 DIGXDQODQTYFME-KRWDZBQOSA-N 446.437 4.760 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@H](C)C1 1301335156 YDHFOSSLSQEYPL-NHCUHLMSSA-N 449.599 4.690 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@H](C(C)C)N1CCCC1 1301351264 OBJPQMGIOFLZHJ-QHCPKHFHSA-N 425.596 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)c1ccsc1 1301383457 IEQXGKGQXKWZTO-DEOSSOPVSA-N 447.564 4.748 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@H](C)C1 1301396806 FNGFYVBWEKZIPL-UFYCRDLUSA-N 429.609 4.965 30 10 IJEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)C1 1315893094 FZBDLPBMSUPFRN-QUCCMNQESA-N 435.597 4.620 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1)c1nc(-c2ccccc2)cs1 1348497100 LSBJGAOQMPKKNG-FQEVSTJZSA-N 431.561 4.945 30 10 IJEE CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H](C)c1ccccc1OC 1353022209 HMWKXYRMRCTZLY-FUHWJXTLSA-N 439.943 4.573 30 10 IJEE CC1CCC(N2C[C@H](C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)CC2=O)CC1 1354195225 HOKOEDQWGTYGHG-JRSYVHTFSA-N 431.536 4.503 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)c1nccs1 1358876336 HSZYLTFPSHGHOH-CHWSQXEVSA-N 448.365 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1CCCCC1 1358981427 JDKLSKBGKQRNJT-UHFFFAOYSA-N 439.003 4.905 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1nccs1 1359003847 ZKLYFBWMBKQTNY-HZPDHXFCSA-N 425.627 4.851 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[C@H]21 1359061222 VORJFGRDKPTNOW-WMLDXEAASA-N 437.396 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOCC(C)C 1359069232 GAEUCUNEQWXTQQ-RUZDIDTESA-N 433.556 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCc1ccc(Cl)c(OC)c1 1359072847 SNZYQNHAKPWTAY-XMMPIXPASA-N 426.992 4.908 30 10 IJEE C=C(Cl)Cn1c(N(CC)C[C@@H](C)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359157059 XTJSUXKMACKVAA-BHYGNILZSA-N 426.005 4.674 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(F)F)C1 1359201286 IVEGRMWVCJVJQI-GOSISDBHSA-N 426.515 4.969 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H](OC)C(F)(F)F)C1CC1 1359248118 AXRRCAHDCPYHKB-QGZVFWFLSA-N 444.885 4.729 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1CC1 1359249222 SBSMDCJAXXTLHM-GOSISDBHSA-N 425.577 4.745 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCCC1(C)C 1359258288 LVJQRNGNLDVPGR-SANMLTNESA-N 431.584 4.782 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCCC1 1359258422 QDXMFQRWXFQXSW-UHFFFAOYSA-N 436.991 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCC(F)(F)CC1 1359270994 IEYFYPFRYKKHMH-UHFFFAOYSA-N 440.498 4.598 30 10 IJEE Cc1c(C#N)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl 1436028122 CZFKOVKENPKHPS-OAQYLSRUSA-N 439.943 4.954 30 10 IJEE C=CCOc1ccc(CNC(=O)COc2ccc3cc(Br)ccc3c2)cc1 1436192412 AIBPUPHEDGTGBM-UHFFFAOYSA-N 426.310 4.862 30 10 IJEE CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(Br)c(C#N)n1 1437005334 CJPJBWKKWVILIP-LLVKDONJSA-N 437.135 4.686 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3ccc(F)cc3F)C(C)(C)C)n[nH]2)c1C 1446147985 VQLCENQNHCYDRQ-NRFANRHFSA-N 427.499 4.871 30 10 IJEE C#CC[C@]1(C(=O)NCCn2c3ccccc3c3ccccc32)CCCN1C(=O)OC(C)(C)C 1446654630 KZPYMDQCFLDBTN-HHHXNRCGSA-N 445.563 4.704 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cc1 1448724901 YAJQATVDFUHOCC-UHFFFAOYSA-N 427.544 4.971 30 10 IJEE CCO[C@H]1C[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC 1459983241 CEOSPQPSWGVMAV-GOTSBHOMSA-N 436.600 4.537 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)c1ccccc1 1461142554 VEOZVPIWILEBJM-IBGZPJMESA-N 448.935 4.764 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)cc1Cl 1462883454 HTVYTKBPFYJECU-UHFFFAOYSA-N 439.805 4.881 30 10 IJEE C=CCCCN(CC)C(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 1463240445 OQOCSRMJKDXKEQ-UHFFFAOYSA-N 426.538 4.574 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2OCc2ccccc2)cc1OC 1465788939 JYQKDESGWZKGLW-UHFFFAOYSA-N 447.487 4.878 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 1470270335 QNVDIIPMUBDGCE-CVDCTZTESA-N 439.531 4.597 30 10 IJEE C=CCCC1(CNC(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCCC1 1470793963 NPBRRIMKARMAFB-GOSISDBHSA-N 429.388 4.901 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1Br 1474869319 HJUFNWRIECREIQ-UHFFFAOYSA-N 441.350 4.827 30 10 IJEE CC[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)Oc1cccc(Cl)c1 1476401048 GUXJSKINHRJZTB-HNNXBMFYSA-N 427.867 4.516 30 10 IJEE CC[C@@](C)(COc1ncccc1Cl)NC(=O)Nc1ccc(C#N)c(Br)c1 1476571057 ANTRTVKFOHAMGZ-SFHVURJKSA-N 437.725 4.738 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1504375540 CLVCRYVGSQALMM-DLBZAZTESA-N 433.478 4.987 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1COCC 1507606834 YSTUDPZTLZVNPU-UHFFFAOYSA-N 434.609 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1cc(Cl)c(OCC)c(OC)c1 1507761639 NEZNBVBWDZEJCG-WAIKUNEKSA-N 430.980 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCN1CCCC(C)(C)C1 1507771337 ZCXMBUJWTULLHR-HHHXNRCGSA-N 433.644 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](SC)C(C)(C)C 1507774018 ZHXNZELTFUYHAK-YOSAUDMPSA-N 440.613 4.560 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1507836809 AOQWLVIXIPECNB-UHFFFAOYSA-N 441.526 4.876 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1507897744 LCNBEEYBPUPZFB-NVXWUHKLSA-N 448.409 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1507911416 KJPCUOIICGGLBW-VGSWGCGISA-N 440.588 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1507911447 HEMFZQQBCBEZGA-RTWAWAEBSA-N 440.588 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)CC(C)C 1507914929 QQEVHZSRAZSDJD-UHFFFAOYSA-N 436.604 4.760 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCCC 1507917479 PLQQKFPISXQPHE-IBGZPJMESA-N 449.640 4.815 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1507924280 KZMJPOKXXZPPIX-IRLDBZIGSA-N 433.600 4.772 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1507948868 VRKBBIKIEQGLCE-LJQANCHMSA-N 431.378 4.852 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CC)C1 1507956079 ADRPHLOITMYGJT-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H]1CC)C1CC1 1507991374 OEHHFGZRLJLVJN-RTBURBONSA-N 442.007 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1508013786 KHNPNIKONVANFE-UHFFFAOYSA-N 443.599 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCCC(C)(C)C1 1508021308 MBKBSAFFHJKTSV-UHFFFAOYSA-N 432.616 4.651 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1508159041 PVRYHFJGFOWQJD-XLIONFOSSA-N 426.611 4.892 30 10 IJEE CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1508746137 BKGZMPFJXVMDJU-UHFFFAOYSA-N 445.552 4.520 30 10 IJEE COC1CCC(CCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@H](C)CC#N)CC1 1518555301 AQYJBJLUOOBVPO-LWEYNCJUSA-N 448.571 4.934 30 10 IJEE CCCc1c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cnn1-c1cccc(C)c1 1518905247 DALUEKVKBJCASU-UHFFFAOYSA-N 443.551 4.520 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)c1 1521026325 IPHRCWNMLFWSSM-HXUWFJFHSA-N 435.520 4.862 30 10 IJEE C#CCOc1ccc(CNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 1521866557 AQZKDPZOJNJGNG-DEOSSOPVSA-N 446.934 4.530 30 10 IJEE N#Cc1sc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc1Cl 1525765332 BNDNPSUYRBFHOA-UHFFFAOYSA-N 442.715 4.986 30 10 IJEE CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)c(C#N)cn2)c1 1526925312 BITPJQVFRSIHJK-UHFFFAOYSA-N 448.548 4.509 30 10 IJEE C#C[C@H](NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)c1ccc(Cl)cc1F 1528108752 NEDZABBQJJBBHU-FQEVSTJZSA-N 426.875 4.536 30 10 IJEE C=C1CCC(C(=O)Nc2ccccc2C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1529369722 VHSLZQXPDPJEFE-UHFFFAOYSA-N 442.556 4.928 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 1534343669 BYXVZWHDTQYZRS-DEOSSOPVSA-N 446.572 4.875 30 10 IJEE C=CCC[C@H](C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1536294696 VQEHQBCAXBHHCP-AZUAARDMSA-N 427.342 4.569 30 10 IJEE C#CC[C@@]1(C(=O)N=[S@@](=O)(CC)c2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1538621952 QLWPEHCTTPEAFA-KCWXNJEJSA-N 438.977 4.506 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1539049989 WQGZORZJVDTHAK-GOSISDBHSA-N 440.897 4.950 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539108834 FKSITZGGGXCUPR-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1c(C)noc1C 1539343286 IVBZKNPDSSOQNQ-MAUKXSAKSA-N 441.963 4.940 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1c(C)noc1C 1539403676 VXOBUFCGZGIARW-GOSISDBHSA-N 449.599 4.737 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)C(C)C 1539625123 ZGMAKRDPVSBATD-REWPJTCUSA-N 442.604 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1c(C)nn(-c2ccccc2)c1C 1539666406 YMZJMHYWRDUWBM-UHFFFAOYSA-N 441.583 4.902 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C[C@H]1CC=CCC1 1539779871 HXTNVJDBLYFSSV-INIZCTEOSA-N 432.952 4.516 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1539953996 XKSGYNIGXPHXTL-UHFFFAOYSA-N 428.886 4.848 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1c(F)cccc1Cl 1540142629 MULOFXDEODMWFU-UHFFFAOYSA-N 442.951 4.774 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1Cc1ncccc1C 1540147077 MYFNSQKWUZDIEI-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)C 1540151807 MPZQNPUIQOIFGK-GGAORHGYSA-N 436.648 4.911 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cc(C)no1 1540155355 SRTFLEJAYIBJLT-UHFFFAOYSA-N 428.540 4.876 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(c3ccccc3)c3ccccc3)n[nH]2)c1C 1540351821 NKXREPODYVTTKS-UHFFFAOYSA-N 425.536 4.638 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1540856171 XQXNLHXFBMYKFP-HXUWFJFHSA-N 437.357 4.674 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCCC1 1541513032 FLTJLHWTWAIZAA-UHFFFAOYSA-N 448.571 4.671 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1542421444 GBHGXYLQDVPKDB-UAPYVXQJSA-N 436.512 4.768 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 1542900388 PFPOAEZJYYSBRO-UHFFFAOYSA-N 430.938 4.513 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)cn2)cc1 1543020637 FIZUKSAIADTTHA-UHFFFAOYSA-N 435.439 4.934 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Br)cc2OC)CCCN1C(=O)OC(C)(C)C 1543292706 GWPATGXKEHJHDI-HXUWFJFHSA-N 439.350 4.742 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 1544252642 AZHAKQUSZAJJHB-CVDCTZTESA-N 443.522 4.957 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(OCc2ccccc2Br)c1 1556399378 LKXCEZYMJWYULD-DYESRHJHSA-N 430.342 4.739 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3cc(Cl)ccc3Br)CC2)OC1(C)C 1558163524 DGNHUSRYDKWRDM-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 1563015206 HVEYXCYMYUCJKS-LJQANCHMSA-N 433.487 4.503 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)NCCn3ccc4cc(Cl)ccc43)CC2)c(F)c1 1564716498 FLFLIVYVQKCLDK-UHFFFAOYSA-N 440.906 4.558 30 10 IJEE C#CCOc1ccc(CNC(=O)N2Cc3cccc(Br)c3C[C@H]2CC)cc1 1564798421 KIPPGKGOGPNTJG-GOSISDBHSA-N 427.342 4.508 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(C)c2cc(C(F)(F)F)ccn2)cc1 1583418442 OMIKKUQMYQVXHC-UHFFFAOYSA-N 431.458 4.831 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CCOC)CCC1 1587579835 KPQFXIOJLCFYLT-MSOLQXFVSA-N 426.630 4.796 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1587604571 WLCUQGOZUXOJFY-VSKRKVRLSA-N 444.627 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCC[C@@H]1OC 1587662174 LWLACPOATZIGNW-IPJJNNNSSA-N 445.007 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCO[C@H]1C(C)C 1588186136 SVPJYINEYWHUTE-NOZRDPDXSA-N 444.623 4.662 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1588186137 SVPJYINEYWHUTE-UKILVPOCSA-N 444.623 4.662 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)Cc1cccs1 1588265895 JVKULFBSQKRMDD-MSOLQXFVSA-N 426.561 4.957 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CC)CCOCC1 1588281092 YCSIWTDQDSDXFF-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(C)(C)C 1589657708 JMTHZFKWJNCQNS-UHFFFAOYSA-N 425.625 4.681 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1 1589722217 ZTNCPHNZYPRURW-CHWSQXEVSA-N 425.371 4.753 30 10 IJEE C=C(Cl)Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593933408 ZGKFIHRSSVVILM-OIISXLGYSA-N 438.016 4.674 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCn2nc(C)cc2C)CC1 1594430424 MONUKUSTOOSCID-UHFFFAOYSA-N 448.615 4.780 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1594551919 CHCPBAPGCBJPQR-NHCUHLMSSA-N 439.604 4.694 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1594608590 QDRVUSRTWMKFAE-RBUKOAKNSA-N 434.588 4.514 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](CN(CC)CC)C1 1594687205 IJQHNFQOAYZJAI-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 1595065760 XLWAWVDOQXJQFO-KNQAVFIVSA-N 438.616 4.861 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C(C)(C)C)no1 1595234146 IEWLMMXCOHNRIS-UYAOXDASSA-N 427.593 4.709 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCC1 1595238907 ANOXLTUSXNFADC-UHFFFAOYSA-N 431.584 4.579 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(SC)CC1 1595276327 ZIEVZWVTGCGTIC-INIZCTEOSA-N 432.659 4.666 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(=C)C)C1 1595687701 CGLBAJFLDGIAGN-OAHLLOKOSA-N 437.769 4.718 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 1595793532 MTLLYJZYFLBMKT-NFBKMPQASA-N 443.632 4.784 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1 1596875100 VXJILNRZWJMKLS-SFHVURJKSA-N 432.314 4.824 30 10 IJEE Cn1cc(CN(C(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(Br)cc2)cn1 1598140064 GUQVVTLQGVMJFK-UHFFFAOYSA-N 437.341 4.831 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1612862034 HASNSRGRZDYEMR-KPFFTGBYSA-N 447.505 4.944 30 10 IJEE N#Cc1cc(Br)cnc1N1CCc2c(Cl)ccc(Br)c2C1 1613004426 FQKRRKFDCQIPIU-UHFFFAOYSA-N 427.527 4.694 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ncc(-c3cccc(F)c3)s2)CCCN1C(=O)OC(C)(C)C 1617237668 HEFBMEUFSANMRF-QFIPXVFZSA-N 429.517 4.681 30 10 IJEE C=CCN(C(=O)CN(C)[C@@H](C)C(C)(C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1618035553 WUOSREQQPPAJOC-ZDUSSCGKSA-N 442.412 4.727 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1cccc2oc(C)nc12 1625542526 LGHHWHFYNGQHST-UHFFFAOYSA-N 430.302 4.828 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)C2(C)CC2)c1 1627235159 BUJPXKSSRUSIRM-MRXNPFEDSA-N 432.973 4.640 30 10 IJEE C#C[C@@H](NC(=O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1)C(C)(C)C 1628947954 JESNBDAAIAOZSD-XMMPIXPASA-N 430.548 4.564 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(C)C)[C@H](C)c2ccccc2Cl)cc1 1631144713 COXYTAWWTLZGEI-QGZVFWFLSA-N 434.989 4.664 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 1631510201 ZQUTUQGCXHXQIB-UHFFFAOYSA-N 447.535 4.516 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 1633929586 IIHAINZZGHMMKP-UHFFFAOYSA-N 426.991 4.925 30 10 IJEE C=C(CNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1635923222 CAYMQGXMPPWMQE-QFIPXVFZSA-N 427.589 4.769 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCn1nc(-c2ccc(Cl)cc2)n(CCCC)c1=S 1635971798 WLMQTNAIXBFPLN-MOPGFXCFSA-N 449.020 4.774 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1636098353 GQBRYRUCAKIOAV-OFVILXPXSA-N 427.589 4.606 30 10 IJEE C#C[C@@H](NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1638463020 FKGZOYMSDGBGDW-HXUWFJFHSA-N 440.927 4.574 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1638693432 FIPHKHQYFNGFMA-VWLOTQADSA-N 427.589 4.639 30 10 IJEE C=CCN(Cc1ccc(CN2CCOCC2)cc1)Cc1cc(Br)ccc1F 1641675589 NHCWLUCGPNQQNZ-UHFFFAOYSA-N 433.365 4.609 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](c3ccccc3)C[C@@H]2C)n(-c2cccc(F)c2)c1C 1644613920 HFBDNUGHKHQERB-LAUBAEHRSA-N 430.527 4.921 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)CC1 1645772319 YRDXHEKKPFSLHM-UHFFFAOYSA-N 432.929 4.943 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 1652554616 GDPJWHIZZXVLOV-PKTZIBPZSA-N 433.939 4.988 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)C(C)(C)C)nc2sc(-c3ccccc3)cc2c1=O 1652569752 SNZWEFVPFMLQJK-QGZVFWFLSA-N 428.579 4.991 30 10 IJEE C=CCn1c(SCc2nc(Cc3ccc(F)cc3)no2)nc2cc(Cl)ccc2c1=O 1655984177 KZCAELDGIPQPIV-UHFFFAOYSA-N 442.903 4.641 30 10 IJEE C[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(C(F)(F)F)cc1 1660672311 GTEIPOMNGDTCEE-ZDUSSCGKSA-N 431.393 4.827 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC[C@H](CC)Oc2ccccc2C(F)(F)F)cc1 1667589114 GBLLUYVUJVPLJG-KRWDZBQOSA-N 435.446 4.600 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCCCCNC(=O)CC1)c1ccc(C(F)(F)F)cc1 1670827658 ZSMOKPIUEFZOLI-LJQANCHMSA-N 425.495 4.805 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1671851188 CIPFSELMHCNTTK-OXJNMPFZSA-N 437.531 4.918 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)cc2n1 1673220951 UMULEVLMHZHYFG-FQEVSTJZSA-N 443.473 4.637 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1673599529 KKRUNCLVTCKPRV-RXVVDRJESA-N 434.422 4.848 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)N(C)c1ccccc1 1674194467 LHLQYMPGFMGXSV-MRXNPFEDSA-N 434.353 4.811 30 10 IJEE C#Cc1ccc(NC(=O)NCc2cc(Cl)ccc2I)c(Cl)c1 1675169496 PRJJZTLKMYBPIX-UHFFFAOYSA-N 445.087 4.901 30 10 IJEE COc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)c2c[nH]c3ccccc23)cc1 1675687264 HBBOOYNETOAUNR-JOCHJYFZSA-N 442.494 4.819 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)NC[C@H](O)c3ccc(Cl)c(Cl)c3)cc2)ccn1 1678172398 DVCGSLIPIOQOHU-FQEVSTJZSA-N 443.290 4.907 30 10 IJEE COc1ccc([C@H](NC(=O)N2CCC[C@H](CC#N)C2)c2ccccc2Cl)c(OC)c1 1679470194 BUOUNRWKYVBILA-OPAMFIHVSA-N 427.932 4.782 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](c3ccccc3)C3(CO)CCC3)c2)s1 1684795162 BEXRGOWXMRMHMN-HSZRJFAPSA-N 431.561 4.990 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 1686826360 GOSVYSQQCBTYSH-OAQYLSRUSA-N 441.453 4.657 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C1CCCCC1)N(C)C 1689831505 LYHAISNLAXANKS-URXFXBBRSA-N 433.644 4.717 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCSC1(C)C 1689948891 JVRQKPAKZKMLBV-FQEVSTJZSA-N 433.625 4.954 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(C)(C#N)CC1 1690250909 MYTBJMVNFMSJMZ-ISKFKSNPSA-N 433.600 4.565 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1690292830 WETUIMPVCSDVIJ-NRFANRHFSA-N 435.641 4.974 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@H](CC(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690359225 WFLCKCAGKXFMOC-KURKYZTESA-N 438.016 4.674 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CC1 1690364754 WYBJDDNCUSXGAN-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)C(C)C)CC1 1690398963 KOQSWDVHOHOIFH-UZUQRXQVSA-N 432.996 4.881 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@@H](C)C1 1690454046 RUVNYGYKGIWUPE-GOSISDBHSA-N 428.577 4.954 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCC2(F)F)c1 1693031637 FGMVMDKNWKMYRE-AVRDEDQJSA-N 447.505 4.741 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)C[C@H](C)S1 1693829992 BXHIUVYWPQJBDZ-ROUUACIJSA-N 425.602 4.639 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1694243407 DFPPBPSZKWKRBQ-UFYCRDLUSA-N 439.604 4.805 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705522991 PWKLYZHMILDXGA-MXEMCNAFSA-N 430.637 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1705712325 QBBMMKVLPVYNIQ-SANMLTNESA-N 435.616 4.656 30 10 IJEE C=C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCN(C)CC(F)(F)F)CC1 1705764299 UKYOGZINVXYRGF-UHFFFAOYSA-N 447.549 4.789 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1705765762 ZOAYUZDCQZXINV-PMACEKPBSA-N 443.039 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@H](COC)C1 1705789512 NKBYDAXMIJPZFS-NRFANRHFSA-N 448.615 4.986 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCC[C@@H]1C 1705862891 YMRAYMJCNCZFOM-AVRWGWEMSA-N 435.547 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1705876331 VGEAYOXCOHBQQG-IBGZPJMESA-N 431.625 4.692 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)Cc1cccs1 1722403333 PGVRJJGWDVVPHX-QGZVFWFLSA-N 435.597 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCc1sccc1C 1722473095 OLLXZWRITHEJAI-HSZRJFAPSA-N 426.536 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](OCC)C(C)C 1722473183 RIXPZFGOFSYQFE-ZJSXRUAMSA-N 429.008 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1cccc(C)c1 1722500997 LHUFQAGYOCACEC-BWKNWUBXSA-N 426.605 4.833 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCCCCC2)CC1 1722560865 FOQOHHPPVOGOHF-UHFFFAOYSA-N 444.421 4.740 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1722578638 UZOMGZIDEQADDV-UHFFFAOYSA-N 435.572 4.716 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 1722598049 YXGYSXTWPFFBGZ-REWPJTCUSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1722605794 SJMJARFDVXUZFN-FQEVSTJZSA-N 436.629 4.565 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(C)=C(Br)C1 1722616894 BTFHROUXNJRMKY-UHFFFAOYSA-N 431.378 4.723 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCC[C@H]21 1722623196 AUZMSOGJDSRUBJ-IEBWSBKVSA-N 431.378 4.597 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(O)c1cccs1 1722657428 AXIRIJILMZWNSV-HYBUGGRVSA-N 438.597 4.682 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H]1C(C)C 1722673415 RBAZUHUNMFDEHT-SGNDLWITSA-N 438.616 4.816 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2csc(C)c2)C1 1722722344 NBGZOGIYRSVJBU-OAQYLSRUSA-N 438.597 4.619 30 10 IJEE C=CCOc1ccc(Cn2c(Nc3cnn([C@H]4CC4(F)F)c3)nnc2C(C)(C)C)cc1 1722733260 VKUXRQXSZBBWLV-SFHVURJKSA-N 428.487 4.709 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](CC)C1 1722737838 SQQLGLJLROBHPV-SFHVURJKSA-N 441.626 4.851 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1740590346 CQAGPTSTCALMRY-LAUBAEHRSA-N 441.000 4.964 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1CC 1740675596 SPMZBMQBKJJIFX-UFYCRDLUSA-N 429.609 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](CC)C1 1740764157 UVKXJEOKZRHEMG-LFAGZIFBSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740775181 PMBRXZVAXRKDFB-QFQXNSOFSA-N 439.648 4.790 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740814931 IHMRCUFXBNYMDV-VQIMIIECSA-N 441.790 4.938 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccoc1)c1ccccc1 1740854270 MMWSDCDPRILLOH-OAQYLSRUSA-N 442.523 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(OC)cc1 1748651650 PJHOMDBPISSVCJ-ZWKOTPCHSA-N 434.609 4.841 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1748714454 ITNPFTXJWGTEHL-RBBKRZOGSA-N 438.572 4.682 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1748759278 FBMPAZGXFYIWPQ-HXUWFJFHSA-N 449.624 4.982 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCSC1(C)C 1748939109 PVNFYAZPKLGWLE-QGZVFWFLSA-N 430.643 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1sc(C)nc1C 1749147616 LGWWOPWWGRGQRW-UHFFFAOYSA-N 435.395 4.560 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](CC(C)C)C1 1749252521 DBPCVYQQZNTXOT-CQSZACIVSA-N 426.790 4.671 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC(F)C1 1749256102 UWLWPZMXBJWXIU-UHFFFAOYSA-N 431.712 4.784 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(O)(CCC)CCC 1749473255 CFSDWELKAHFMEC-UHFFFAOYSA-N 427.412 4.723 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCS1 1749529962 QCMWVVSLHOZRHR-LEWJYISDSA-N 428.602 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(C)(C)OC[C@@H]1C 1760319047 QJGBQXGZTXYMJF-FTRWYGJKSA-N 448.970 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1760338668 OIGZOOPBGGJYKW-QPPBQGQZSA-N 445.007 4.653 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccccc2)C1 1760342203 ACICHCVEUOUYAV-KRWDZBQOSA-N 426.362 4.616 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1760346448 AYBRQZJSBNAXRB-KRWDZBQOSA-N 444.551 4.970 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1760399696 CODPSWVWORVZGW-IBGZPJMESA-N 447.583 4.639 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN(C)C2CCCC2)CC1 1760404755 HLVDTDPZNRGQOV-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760410020 QTRUEZDAIKYRCT-MAUKXSAKSA-N 433.478 4.575 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1760425426 LUXSMHDVGDOILR-UHFFFAOYSA-N 437.588 4.751 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[C@H]1CC 1760462635 FNQXRJGQLSKUOS-UYAOXDASSA-N 431.625 4.841 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCSC1(C)C 1760491013 QFIIUNUTKAKVEM-CQSZACIVSA-N 436.423 4.746 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(C)(C)OC[C@@H]1C 1760563872 HBCJODMISPITTE-KRWDZBQOSA-N 439.585 4.523 30 10 IJEE CCc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2)s1 1762632001 AFDUECRLBLXTMB-UHFFFAOYSA-N 433.537 4.630 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)cn1 1762778209 DFBRWYBZHYOWON-RTBURBONSA-N 430.556 4.672 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1765170481 GYTNKXKNSQKNRM-UHFFFAOYSA-N 435.601 4.640 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccco1)CC2=NOC(=O)c1ccccc1Cl 1772722418 FLPJCPWWMGVIRS-PKTZIBPZSA-N 428.916 4.979 30 10 IJEE Cc1csc(N=C2S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N2C)n1 1772736215 SGDWKNIMRUKPMB-RXCWDLJVSA-N 426.479 4.854 30 10 IJEE CCCN1C(=O)/C(=C\c2ccc(O[C@H](CC)C(=O)O)cc2)SC1=Nc1nc(C)cs1 1772763558 BEUUYFMVMLAZLZ-QKZBUXIPSA-N 445.566 4.708 30 10 IJEE CCCCCCCCn1cc(O[C@H](CC)C(=O)OCc2ccccc2)c(=O)cc1C(=O)O 1857891205 QGPZZPATQABSFF-JOCHJYFZSA-N 443.540 4.808 30 10 IJEE N#Cc1c(NC[C@@H](c2ccccc2)S(=O)(=O)c2ccc(F)cc2)ncc2c1CCCC2 1859800661 UXDYGSNKKSNQQY-QHCPKHFHSA-N 435.524 4.598 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4cccc(F)c4)cc3)CC2)c1 1860685025 YHHZDGYZAJBZAL-UHFFFAOYSA-N 426.447 4.846 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)CCc1ccc(OC)c(OC)c1 1861088972 XGRFQXSXQMNZDU-OAQYLSRUSA-N 434.621 4.788 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccn(CCC)c1=O)[C@H](C)CC 1861283798 GFSQFXWEYGNVFH-IFMALSPDSA-N 433.637 4.660 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1Cl 1862381381 YOYGKZBIBPXHRY-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862412870 PBRQBDBMPQNHRR-HSZRJFAPSA-N 449.453 4.931 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 1862470801 WFYFWYARWSRYJB-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C(=O)O)c1 1862493197 KLYYTTDVODSAAT-OAQYLSRUSA-N 447.512 4.842 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862536608 CFKNUZHGINMGMZ-ISKFKSNPSA-N 449.547 4.795 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862591783 NOTLJSIPENHZIV-QHCPKHFHSA-N 433.504 4.870 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1F 1862638999 OOWVTXOOLHIMQY-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862677275 CAMFWXJRLLBPIL-QFIPXVFZSA-N 447.510 4.667 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1862678089 NWGQPSQTIRGJSD-QHCPKHFHSA-N 432.495 4.509 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)c1 1862747974 XBXDJUQNCKRTJX-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE COc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968416 MERRCYKWADKBAM-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863144413 JRDMRKCAIKFKOW-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1863210814 OWCMPRMYCCTCBN-VGOFRKELSA-N 429.520 4.728 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)cc1 1863297501 RNHFUQJOCNBOIS-UHFFFAOYSA-N 441.506 4.858 30 10 IJEE CC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867697089 OFWDJJGLVAJRRY-BJKOFHAPSA-N 427.504 4.677 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)c1ccc(F)c(F)c1F 1870149071 KGKASWIKDVSWFA-UHFFFAOYSA-N 435.365 4.601 30 10 IJEE C=CCOc1cn(C[C@@H]2CCCO2)c(CSc2ccc(Br)cc2)cc1=O 1870244118 AEFQHTCQKUIPAZ-KRWDZBQOSA-N 436.371 4.647 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)CC(C)C)cc(C)c2C1=O 1871386424 UJQKXVVMBABWSO-FBHDLOMBSA-N 426.465 4.589 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccco1)C2=O 1871447851 FEIRXLNWPWNLOZ-FAPYRAKZSA-N 434.404 4.518 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871762185 VZPVIJXBUAKGEV-QFIPXVFZSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871859276 YFWJNZIUJNBOHI-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871993036 PUAORUCTSNSYME-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871995853 KWXWUQUVSJAZOM-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE Cc1nc(SCc2cccc(C(=O)N(CCO)Cc3ccccc3)c2)c(C#N)c(C)c1C 1872887408 VKWABILSCPIQOA-UHFFFAOYSA-N 445.588 4.806 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422802 PRYFZIYVSXIPQB-UHFFFAOYSA-N 433.458 4.750 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccc(Cl)cc1)n2CC(C)C 1873578301 FNUABZKWAVDVHT-UHFFFAOYSA-N 437.975 4.849 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873617073 WFYWRGCEIDIGQJ-UHFFFAOYSA-N 429.499 4.972 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccco1 1874196425 JHSMQTQTDQETDC-OEAKJJBVSA-N 426.542 4.917 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cn(C)c2ccccc12 1874238484 AGUSOHJFKBNIBH-MFKUBSTISA-N 449.580 4.762 30 10 IJEE CCCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874359574 NPYXMCIOOUCQDT-ZVHZXABRSA-N 440.569 4.593 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(O)cc2O)c1 1874415664 BJBVRPITEWMKKM-MFKUBSTISA-N 430.533 4.763 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 1874446245 WQTGRUGSLVYVJD-BYWZACNXSA-N 442.928 4.656 30 10 IJEE C=C(C)CSc1nnc(CC)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874525467 OPCOAPAHCLZJGV-ZVHZXABRSA-N 436.537 4.619 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccccc2OCC)cc1 1874567906 XKUFQFRVDXJQLB-LFVJCYFKSA-N 440.569 4.996 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)ccc1OCC(=O)N(CC)CC 1874607205 WFVPKLAEVWYIIL-FMIVXFBMSA-N 425.525 4.546 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(F)cc1 1874614948 YVAKHBQHNDWGCU-MDWZMJQESA-N 435.451 4.757 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccco2)c(Cl)c1 1874619756 QYVYCYFXYJIQFA-SOFGYWHQSA-N 439.895 4.841 30 10 IJEE C#CC[C@@H](C[C@H](NC)c1ccc(I)c(Br)c1)C1CC1 1887499576 JTQRNHJYVRXDRF-LRDDRELGSA-N 432.143 4.754 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Br)c(C)c3)cc21 1890561623 MTTFSCJODBPXCK-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CN(c1ccnc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 1891530381 BUMYIGYHEWYNCY-UHFFFAOYSA-N 449.370 4.999 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1sccc1S(C)(=O)=O 1912429760 GLOCZGAVWUEIQX-AWEZNQCLSA-N 426.947 4.811 30 10 IJEE N#Cc1ccc(NC2CCN(C(=O)OCc3ccccc3)CC2)c(F)c1Br 1948159879 NAFSLODXWWLFRY-UHFFFAOYSA-N 432.293 4.673 30 10 IJEE Cc1cc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1C#N 1951960931 DCXLCUBAIRFNTK-AREMUKBSSA-N 426.472 4.705 30 10 IJEE CC#CCCCCNc1cc(I)cc(I)c1 1990955282 HOYYKNBJFVRWES-UHFFFAOYSA-N 439.078 4.501 30 10 IJEE C#CCN(C[C@H](NCC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2037660591 XLGSSCJURNRXDW-AWEZNQCLSA-N 433.749 4.763 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2cc(Cl)ccc2Br)C1 2063050110 CRPNGKKEPJNHRO-INIZCTEOSA-N 429.786 4.833 30 10 IJEE CCOP(=O)(OCC)c1c(C(F)(F)F)nn(-c2ccc(C(F)(F)F)c(F)c2)c1N 2080391311 TUBCRKPVVJQVCV-UHFFFAOYSA-N 449.263 4.523 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(C#N)c(Br)c2F)C(C)(C)C1 2132479303 GCHFZTWBLNEJJW-LBPRGKRZSA-N 426.330 4.589 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)N(c2cccc(Br)c2C#N)CCN1C(=O)OC(C)(C)C 2174817531 POKAKXQCEKUOAE-ABAIWWIYSA-N 448.283 4.697 30 10 IJEE C[C@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(Br)ccc2C#N)CN1C(=O)OC(C)(C)C 2181114729 NGSPZVAPMNLALH-WWGRRREGSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(C#N)cc2Br)CCCCC1 2181139228 KTTLGLBSAPGWTL-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE Cc1cc(C(=O)[C@@H](C#N)c2ccc(Br)cc2)ccc1I 2207026823 CVEDXVJVZFYHCD-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2232327846 JDQKXZPOHARDKG-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2235722224 JXONNZVBGPUSFD-WDSOQIARSA-N 432.358 4.938 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2235726291 OXQGUPDZJCUXIE-WDSOQIARSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2235732382 RTGMVPMQTUFOPP-PKOBYXMFSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2235748058 WDXPZPZDMIMJCS-RTBURBONSA-N 433.390 4.711 30 10 IJEE Cc1cnc(NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241092359 FLAVUWRIVUMDML-NOTZXAQLSA-N 447.432 4.687 30 10 IJEE CC1(C)OB(c2nc(NC(=O)c3scc(Cl)c3Cl)ccc2Cl)OC1(C)C 2241215266 CJUIRVAVJYSHMH-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cc(Br)c(Cl)cc3F)c2)OC1(C)C 2265861521 ZWPABQMSQGCBSP-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(O)C#Cc1ccccc1Br 2285817164 BIHIWBKJFYYIPW-FXDQFOLWSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C(=O)C#Cc3cccc(Br)c3)C[C@H]21 2296220244 WFBXHHSFLJALRV-JENIJYKNSA-N 432.358 4.795 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296284467 RAQYYWVXNGJIFX-PWIZWCRZSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](F)[C@H](C)CNC(=O)OC(C)(C)C 2296299328 UDWSZMXFZSGTOX-LZQZEXGQSA-N 441.385 4.668 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ncccc1NC(=O)OC(C)(C)C 2296309857 BMJIHKWIZITTIR-QGZVFWFLSA-N 430.346 4.893 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@]12CC[C@@](C)(CN1C(=O)OC(C)(C)C)C2 2296311613 ZBNQVQXWLCWQDC-BWAGFHJFSA-N 433.390 4.568 30 10 IJEE CCOc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 2297375477 QQNMXWYVVQEGCO-UHFFFAOYSA-N 434.517 4.572 30 10 IJEE CC1(C)OB([C@H]2CCN(Cc3cccc(Br)c3Br)C2)OC1(C)C 2303099572 PHSZHKDTFYGIBK-ZDUSSCGKSA-N 445.004 4.880 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OCC)c(OC)c1 2318571965 XCEPSAZKFHTRPH-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc3c2CN(Cc2nc4ccccc4[nH]2)CO3)C1=O 2322192722 QOHAQTOQVVNVCK-UHFFFAOYSA-N 439.471 4.540 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1N=Cc1c(Cl)cccc1Cl 2322214480 ZKGHOWZUVHWKTM-UHFFFAOYSA-N 435.336 4.900 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c(OC)c1 2323222493 GDFATGXZKSTXTP-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2323229908 KOTQVRWUBSGYJW-UHFFFAOYSA-N 432.403 4.627 30 10 IJEE CCc1nc(NN=Cc2cccc(OC)c2OCc2cccc(C)c2)sc1C(=O)OC 2323854574 WVVDWCSGNYQHIW-UHFFFAOYSA-N 439.537 4.834 30 10 IJEE COc1ccc(OCCCOc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324704042 IUOMOJXPWMTKJR-UHFFFAOYSA-N 446.455 4.888 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2325235353 FASYVPLQZSSLFY-UHFFFAOYSA-N 431.444 4.733 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)c2ccccc21 2325739369 ONVVFEIFFQJPDM-UHFFFAOYSA-N 442.446 4.951 30 10 IJEE OCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc2ccccc12 2327696108 OOOWWZFZDVYJNC-UHFFFAOYSA-N 438.940 4.630 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1C(=O)O 2327970795 FOAWDVWHIPNYLA-UHFFFAOYSA-N 426.929 4.575 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2328371857 HAZXMCPREFDRST-UHFFFAOYSA-N 439.585 4.706 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccco2)c1 2330068403 JUCHTBOEFIFWCG-SFHVURJKSA-N 445.548 4.944 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2sccc2C)o1 2330576835 QVOAXPSPBXILIY-UHFFFAOYSA-N 444.563 4.931 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 2330961541 MGYOOQYALFFUDM-SFHVURJKSA-N 443.916 4.866 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(OC)c3)c([N+](=O)[O-])c2)cc1 2330968089 YRNBASZOIPKZLW-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2N=Cc2sccc2C)c1 2331717240 KYRFGZRSXOBONJ-UHFFFAOYSA-N 425.583 4.755 30 10 IJEE CO[C@@H]1C[C@@](C#N)(Cc2ccc(I)c(Br)c2)C1(C)C 2349878903 WSILXLNYGNYJHO-UKRRQHHQSA-N 434.115 4.551 30 10 IJEE Cc1nc(N(C)[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2357063504 LFHMLKIDKAOBBI-KHUIQGCPSA-N 448.416 4.509 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@H](N)C#Cc1ccc(Br)cc1 2360196935 AYDFIHKINUWGNR-OJAHFUOMSA-N 433.390 4.696 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364754181 SCNYZKKZOOAILX-PKOBYXMFSA-N 433.390 4.568 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2365059099 LCTCRNSSSSDXLO-ZEQRLZLVSA-N 445.416 4.685 30 10 IJEE C=CCN1C(=O)/C(=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)c2ccccc21 1149022 MXPWAQQJEGTUKK-ISLYRVAYSA-N 426.950 4.644 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 39840016 HTZLZJZPWPCROR-HYBUGGRVSA-N 445.515 4.699 30 10 IJEE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814790 GNVVUYISNSPALK-LHLOQNFPSA-N 432.480 4.921 30 10 IJEE Cc1cccc(N/C(=N\C(=O)c2ccc(CN3CCCCC3)cc2)NCc2ccncc2)c1 45940098 WDIDKNLLKRKFTK-UHFFFAOYSA-N 441.579 4.774 30 10 IJEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2F)n[nH]1 59023250 PDYCEVZPOODFQK-JISQKSEHSA-N 444.923 4.829 30 10 IJEE CCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc3nc(SCC)sc3c2)n[nH]1 59889982 OUCCRMJBLNBIFS-SSDVNMTOSA-N 449.631 4.845 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C)cc2)c1 169935034 KUSOBHLZYIEBDY-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccs2)cc1 169988757 IREKEKVLVSVDOQ-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccs2)c1 169989254 ZLVARQVFLOQBEP-QHCPKHFHSA-N 433.529 4.854 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccs1 169989949 ZGOKSFKRNBYPND-HXUWFJFHSA-N 445.500 4.724 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccncc2)c1 170016598 ZYNXPNUVPSLQOU-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12 170046544 QURAJGXQRSLDRG-QFIPXVFZSA-N 434.923 4.633 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@H]3c3ccco3)nc2c1 170098441 HXDOROMIKRRKKZ-OAQYLSRUSA-N 427.460 4.864 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OC)c1 170121225 VXVPJLWYTKDZBG-WAIKUNEKSA-N 435.520 4.787 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1OC 170133037 QZFNCHJCGUQRFX-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@@H]1c1cccc(C)c1 170147280 JVPNHAWAHRMQEX-IBGZPJMESA-N 444.325 4.754 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccnc1 170191070 WXXDOEYDNWEKGX-JOCHJYFZSA-N 428.488 4.798 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccncc2)c1 170200528 SVSNGVWWNGBYDQ-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccncc2)c1 170201074 VVIHEJCTTXWLKH-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@@H]2c2ccncc2)cc1 170205915 SDTKMINNUYLLQM-DEOSSOPVSA-N 431.451 4.889 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)c(OC)c1 170275371 XDSQQFGVXCLEPO-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)c1 170291974 ZGBCWFOEVVLECQ-IBGZPJMESA-N 427.840 4.703 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 508944371 DHHUXLFXAPCTTB-UHFFFAOYSA-N 431.584 4.833 30 10 IJEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1O 526800046 MUYRHFHKXALBKG-XYGWBWBKSA-N 430.533 4.649 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526816685 LDOCWXBIYICZJP-UUYOSTAYSA-N 445.932 4.975 30 10 IJEE C[C@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 538161911 FGAAZFHXLWDEHD-STQMWFEESA-N 437.487 4.727 30 10 IJEE CCc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(OC)c(OC)c2)cc1 586239893 NPKIPOVIDDEPFM-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C[C@H](Cc1ccc(Br)cc1)NC(=O)c1occc1COc1cccc(C#N)c1 608804887 HAJCGZQNMIZMIA-OAHLLOKOSA-N 439.309 4.854 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cc1C#N 609202688 RQPRUAXBLGDBDZ-UHFFFAOYSA-N 446.410 4.839 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(OCC(F)(F)F)c2)ccc1OC 733620030 NBDDRCPHNAIWSD-MRXNPFEDSA-N 437.418 4.639 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1cc(C)n(Cc2ccncc2)c1C 763000759 SFQAEFDNBBRNEQ-UHFFFAOYSA-N 435.549 4.622 30 10 IJEE C[C@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 769546148 HVKQPNXMWAMOJW-HNNXBMFYSA-N 446.532 4.551 30 10 IJEE N#Cc1ccccc1/C=C\C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 771666932 NPXXDRBZMNIWNO-QDGLUTFLSA-N 448.469 4.935 30 10 IJEE CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)cs1 777173981 LRGKMLQGJGYFSX-UHFFFAOYSA-N 435.480 4.879 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2ccccc2c1 790280810 KYMXCCGDTFFASO-FQEVSTJZSA-N 445.548 4.556 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 800781017 RYXSRQHZDYMCSN-HNNXBMFYSA-N 444.992 4.511 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1sc2cccc(F)c2c1C 926040993 AWFRRAAUDAPMOD-HNNXBMFYSA-N 440.496 4.850 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2coc3cc(F)ccc23)c(C(=O)OCC)c1C 1124821428 QDBGFXWGKIIXHI-UHFFFAOYSA-N 445.468 4.643 30 10 IJEE C=CC1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)CC1 1126181865 RQECFTXMSMKOTB-OZXSUGGESA-N 432.564 4.913 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N3CCCC3)cc2)cc1 1128744295 HIZQOSRVWKZNJJ-JOCHJYFZSA-N 447.535 4.772 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)c1 1129684394 CQEPHVSCFOWMTA-UHFFFAOYSA-N 435.325 4.946 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CC2(C)C)c1 1133138257 PWTYLMNPCYLEKV-QGZVFWFLSA-N 447.000 4.982 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)Cc3cccc(-c4ccncc4)c3)n[nH]2)c1C 1137082343 WNXFMCKPWMGMLK-UHFFFAOYSA-N 440.551 4.800 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 1138264064 IRGUPNVVJJWVKX-WBAXXEDZSA-N 443.371 4.664 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1)C(=O)OCC 1140925262 DLVWNQNVUQVZEU-JOCHJYFZSA-N 435.499 4.615 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)N(C)C 1142524149 OQLAAUUTHNVCIW-LJQANCHMSA-N 449.382 4.503 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1OC 1157347823 WKDWXZYLYVZZIH-SQUITACLSA-N 436.335 4.820 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C(C)C)s1 1159151178 PCURJGPQSWILMV-DLBZAZTESA-N 428.067 4.560 30 10 IJEE N#Cc1cc(F)c(Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)cc1Br 1163861371 NTOHCMDFPIATAX-UHFFFAOYSA-N 434.162 4.521 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCCC1 1165339748 IVABLUWHYKBSGI-PCCBWWKXSA-N 434.621 4.824 30 10 IJEE C#CCCOc1ccc(CN[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)cc1 1178805502 LVHGJVCHDXHDSZ-RPLLCQBOSA-N 431.507 4.769 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2ccc(Br)cc2Cl)c1 1199740769 HZZAZIWGZDPZTJ-UHFFFAOYSA-N 444.663 4.940 30 10 IJEE Fc1cccnc1-n1ccc(NCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)n1 1201511966 CVLKROPNYSIIEW-INIZCTEOSA-N 434.315 4.891 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc(C(=O)CC)c1 1209054090 SZWPSQGJWWBHPT-UHFFFAOYSA-N 440.334 4.558 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@H]3COC(=O)N3CCCC3)c2)cc1 1215210523 CBAFHHMAFNJUES-NRFANRHFSA-N 448.523 4.969 30 10 IJEE C=CCC1(NC(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)CCOCC1 1219496678 SEXJJNMPPYRAIB-UHFFFAOYSA-N 441.219 4.734 30 10 IJEE C=CCCCN(CC)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1252869421 IZJAFUDCFLFMKV-NHCUHLMSSA-N 433.568 4.916 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(Cl)ccc1I 1252907731 JBAATOAOPVFHRU-WBMJQRKESA-N 432.733 4.879 30 10 IJEE CO[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2cccc(C)c2)C1 1255601360 IOCBZOXELCLRQO-PWRODBHTSA-N 437.565 4.523 30 10 IJEE C=CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)CCCCC1 1272726570 WMTJUEXCMDBTPB-ICSRJNTNSA-N 448.629 4.561 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)CCCN1C(=O)OC(C)(C)C 1278295594 GEQAEILIAZAJQH-KOSHJBKYSA-N 432.536 4.890 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)=C(Br)C1 1286318945 ZOTDIRMEMUHOSM-UHFFFAOYSA-N 434.769 4.676 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)Cc1ccccc1 1286438172 RFJUNBPIYGJSDE-HXUWFJFHSA-N 447.652 4.723 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1286623368 XONQKQSHQOWTPS-HUUCEWRRSA-N 438.801 4.815 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCCC[C@@H](SC)C1 1286635804 BPNZNSVUJVSSEU-QGZVFWFLSA-N 437.009 4.730 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1286688731 SUCQBQMYPZJXJD-IBGZPJMESA-N 429.559 4.568 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286696306 AAXSMGLWDVBLBM-UHFFFAOYSA-N 435.597 4.680 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286744097 CTPFAKJMPPIKHN-QVNIBDNGSA-N 442.579 4.852 30 10 IJEE COc1ccccc1-c1ccnc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n1 1288070554 HHSQNGSTJVZLOU-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccsc1 1288943160 GPSNHOUCJSLNBG-JLTOFOAXSA-N 431.924 4.623 30 10 IJEE Cc1ccc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CC[C@@](F)(C#N)C2)s1 1289661023 BCLSMVRPUOISSN-YCRPNKLZSA-N 445.951 4.932 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H](C)c3ccc(C(F)(F)F)cc3)n[nH]2)c1C 1290757744 LPCICXOCRRRWTR-CQSZACIVSA-N 431.462 4.928 30 10 IJEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)C1 1291012692 CWAOAZLWQCGPJF-FGZHOGPDSA-N 434.632 4.955 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCN1C(=O)OC(C)(C)C 1298840614 DYNFJFITSCINSY-FQEVSTJZSA-N 429.344 4.661 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1csc(C)n1 1300282932 QYIIIFKZLSCJPN-KRWDZBQOSA-N 447.564 4.583 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC[C@H](C2CCC2)C1 1300391887 HTYNJYJIWZUOSJ-QGZVFWFLSA-N 433.383 4.918 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1N(C)CCCC1(C)C 1300602175 OTEYFZNEMVHFAE-RXVVDRJESA-N 444.023 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCOC[C@@H]1C 1300785586 ACMCPPDIWHFSMD-QOAPGFADSA-N 436.600 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnc(C)s1 1300785658 AVXDANHUKZDSDK-OYHNWAKOSA-N 441.988 4.877 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1300944694 DPCBMCDYPQTCDB-WZONZLPQSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCC(C)C)C1 1301150897 DCTJUICDFHIPIM-KNQAVFIVSA-N 440.588 4.644 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)s1 1301173221 PZZNRNZBZIUSME-LJQANCHMSA-N 431.023 4.561 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1301176533 CRJDWBUEHPYRHN-DEOSSOPVSA-N 428.577 4.714 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301211978 QKGSXPCAFOYVLC-HNAYVOBHSA-N 431.462 4.616 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@](C)(CC)O1 1301340586 JHOMPOZHPWJVJX-NVQXNPDNSA-N 444.583 4.696 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CC=CCC1 1301611843 SBEWYRZHGJOVSN-NQIIRXRSSA-N 426.586 4.502 30 10 IJEE CC(C)(C)c1ccc(C#N)c(OCC(=O)NCc2ccc(COc3ccccc3)cc2)n1 1307360215 GXUARWIILGAXLV-UHFFFAOYSA-N 429.520 4.525 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2N(C)CCCC2(C)C)cc1OCC 1308396342 MFCOGDSOZBCJOD-IBGZPJMESA-N 425.411 4.623 30 10 IJEE C=CCN(C(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1)C(C)C 1310233222 NYYBBUMPMZBJJS-FQEVSTJZSA-N 445.560 4.671 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 1312520092 DHLHIPUGKBGCOA-OAQYLSRUSA-N 426.358 4.874 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(-c3ccccc3OC)n(-c3ccc(C)cc3)c2=S)C1 1320307619 ADGFVGXNJRKZQI-FQEVSTJZSA-N 436.581 4.622 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)c1 1351039945 YLABARCRMRQVJM-XQNSMLJCSA-N 446.453 4.565 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1c(F)cc(C(F)(F)F)cc1F 1351586896 YRRGDJYLYDRIKU-UHFFFAOYSA-N 430.325 4.727 30 10 IJEE N#Cc1cc(C(=O)N2CCCc3cc(Br)cc(Cl)c32)cnc1C(F)(F)F 1353125127 BPZQQBLGOJBYLB-UHFFFAOYSA-N 444.638 4.981 30 10 IJEE Cc1cc(C)c(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n2)cc1C 1353857378 GXZYHKRBJMCJDV-SFHVURJKSA-N 430.533 4.599 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1358878963 IQBRLQXYJOJEPB-SXWKCWPCSA-N 431.584 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1OCCC1(C)C 1359064437 SIZFPNGWJNUZIK-LIXHSBQKSA-N 436.600 4.842 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)C1CC1 1359092970 IODCZMCHSKDOBN-LIRRHRJNSA-N 449.368 4.817 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1359117902 BQXGAVZWHYFLLT-CVEARBPZSA-N 438.439 4.733 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1359152062 LJDGAAPHTGTYMK-KRWDZBQOSA-N 448.901 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCOC1 1359263501 CXJXGLIMTSQYAA-QGZVFWFLSA-N 444.551 4.828 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)Oc1ccc(C)cc1 1359263940 QGAGGWRLVIRWEV-PMACEKPBSA-N 438.597 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[S@](=O)C(C)(C)C 1359268643 XTFVAKCJMAWPOV-ZQHDKMAOSA-N 446.686 4.857 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)cc1 1435978379 ZWOPJESHCIRZSU-YUXAGFNASA-N 440.337 4.983 30 10 IJEE C=C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)c1ccccc1 1437644341 NIMAMEIBFOXOGJ-MHECFPHRSA-N 433.529 4.911 30 10 IJEE C#C[C@@H](NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1)c1ccc(Cl)cc1F 1449320422 RYKPVYMJYLGVRD-GOSISDBHSA-N 449.338 4.604 30 10 IJEE O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 1458138014 CXJGBJCBGACUCY-UHFFFAOYSA-N 435.303 4.602 30 10 IJEE C#CCN(CC(=O)NCc1ccc(COc2ccccc2)cc1)[C@@H]1CCCc2ccccc21 1460835339 LKDCNJWKDRUWHO-MUUNZHRXSA-N 438.571 4.895 30 10 IJEE CCc1c(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cnn1-c1ccc(Br)cc1 1460980085 CUMZVGMTRGEVQH-OAQYLSRUSA-N 449.352 4.876 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)c1ccccc1 1464379621 KEDJNSNNJJIFLV-GOSISDBHSA-N 437.945 4.511 30 10 IJEE C#C[C@H]1COCCN1C(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 1465909092 KRYPFNRVGXAYSG-INIZCTEOSA-N 442.338 4.592 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc(Cl)cc1F 1469885624 QXTJFNUXHQMZIW-OALUTQOASA-N 441.856 4.774 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)C1 1469919536 ATLDTYKOKALKBL-YJBOKZPZSA-N 437.378 4.830 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2cc(O)nc(C3CCC3)n2)c1 1470697622 GCGAFTIOWQBVFB-UHFFFAOYSA-N 434.883 4.697 30 10 IJEE C=CCOc1ccc(CNCc2ccc(I)cc2Cl)cc1OC 1474122982 IQSUFQFGRIAJME-UHFFFAOYSA-N 443.712 4.808 30 10 IJEE C#CCOc1ccc(CNCc2cc(Br)c([C@H](C)OCOC)cc2F)cc1 1474152010 ZIISDVDJZKYPFB-HNNXBMFYSA-N 436.321 4.572 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)c2cc(OC)ccc2O)cc1OCC 1474196217 NWHZJBOQJTVDSR-AWEZNQCLSA-N 436.346 4.978 30 10 IJEE CC(C)(CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1cccc(Cl)c1F 1475225497 AXFGYVWWKCUXMZ-UHFFFAOYSA-N 434.842 4.626 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2(c3cccc(Cl)c3)CCCC2)cc1 1475973600 ODBWRYFTLBCCTH-UHFFFAOYSA-N 447.988 4.738 30 10 IJEE CC(C)(CNC(=O)NC1CCN(c2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 1477760469 FSCCDOYBJAJTHS-UHFFFAOYSA-N 444.501 4.823 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CC)Cc1cn(C)c2ccccc12)c1ccc(Br)cc1 1478895848 GYPXRQBLTKXIPE-FPOVZHCZSA-N 438.369 4.936 30 10 IJEE C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCc2cc(C#N)ccc2F)[C@@H]1C 1479325934 HACZNBADTSYTQC-YVHKJVDXSA-N 437.515 4.963 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)c1ccccn1 1507513548 AJUSJVUKFBHWPG-MSOLQXFVSA-N 437.975 4.902 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1507578430 YFEKLEGZHLSSQW-OAHLLOKOSA-N 444.402 4.817 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507763292 TXSDVIPNLCCFLL-UMTXDNHDSA-N 444.627 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1Cc1nccs1 1507772488 QLBRYPAALCUDES-HXUWFJFHSA-N 430.002 4.721 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C(C)C 1507783583 FNDMCRDGTAHOLE-GOSISDBHSA-N 437.357 4.982 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1nccs1 1507858353 CHCMFRJBHNCEHJ-UHFFFAOYSA-N 438.782 4.861 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1507915502 WKHRSLXWOJNOCG-QGZVFWFLSA-N 427.593 4.694 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C)C2(CCC2)C1)c1ccccc1 1507919693 HQICXNBDODBQIV-IFMALSPDSA-N 435.616 4.793 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cccs1 1507938934 FPKLFQJVTFWEDE-UHFFFAOYSA-N 434.407 4.753 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1507968240 RDBYONFNPWOPTR-IIBYNOLFSA-N 432.515 4.514 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1cccc(NC(=O)C2CCC2)c1 1508008324 NCXQAURBADJPHT-UHFFFAOYSA-N 435.597 4.882 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN(C(C)C)C1 1508008735 RXHSQKIYEIEATH-RTWAWAEBSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=CCC1)C(C)C 1508012400 DMQSADCLYCNTSQ-XPWALMASSA-N 441.664 4.662 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cc1OC 1516115430 CBMHZHVGONBQBV-VSGCLNPGSA-N 448.332 4.922 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccc(Br)s2)CCCN1C(=O)OC(C)(C)C 1518173529 TUSNXUNHVKWITR-LJQANCHMSA-N 443.407 4.515 30 10 IJEE C=CCC[C@H](NC(=O)c1cnc2sc(C)c(C)n2c1=O)c1ccc(C(F)(F)F)cc1 1519590044 OEFWTOSKDUXYCK-KRWDZBQOSA-N 435.471 4.829 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)CCCN1C(=O)OC(C)(C)C 1523304682 YLLKJHVOCGAYKX-SSOJOUAXSA-N 440.540 4.802 30 10 IJEE C=CC[C@]1(C(=O)OCc2cc(Br)ccc2F)CCCN1C(=O)OC(C)(C)C 1530379080 HIFYEFNCVJHVCR-HXUWFJFHSA-N 442.325 4.977 30 10 IJEE C=CCC1(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)CCOCC1 1532448204 KAFURARVUGQZFX-UHFFFAOYSA-N 426.204 4.798 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1534588171 JEIXYPOUGVBPJV-KRWDZBQOSA-N 444.572 4.688 30 10 IJEE C=CC[C@@]1(C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1536467579 ANTKODFIOIPCSU-MMTVBGGISA-N 426.966 4.669 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)OCc2ccn(-c3ccc(F)cc3F)n2)c1 1538923306 BUOODOVOCZSGNQ-UHFFFAOYSA-N 445.425 4.958 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccco1 1539049300 KGOZRMNACRCORR-HNNXBMFYSA-N 430.350 4.640 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C2CC2)C1 1539052849 VGIGUVKGZLETID-QGZVFWFLSA-N 443.389 4.756 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1539132869 CMBBFGLQPQJIGS-KNQAVFIVSA-N 447.410 4.907 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(OCc2ccccn2)cc1 1539556487 DKVLYWPSNSGNIO-HHHXNRCGSA-N 443.595 4.881 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1539688891 UTGUGZOMZBUGAK-MSOLQXFVSA-N 426.561 4.564 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1539786525 SHVGMSDUKYZRRF-CZUORRHYSA-N 436.368 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1539928532 CTJZSNKDMUSDJR-HSZRJFAPSA-N 430.593 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1 1539929258 QBSBAYVIZRHAQP-NRFANRHFSA-N 439.629 4.909 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1539960444 AOVYESWNJUWITK-UXHICEINSA-N 448.615 4.904 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1540091934 BOTPIKAHBLPMHP-GSPCLOLRSA-N 438.616 4.987 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1 1540122497 VRCUKESTEWKDAS-NHCUHLMSSA-N 442.567 4.610 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCC[C@H]1CCCCO1 1540128320 LBTQFXRAOIQZSS-DNQXCXABSA-N 449.599 4.586 30 10 IJEE CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1540141843 BKJNIHAQRLSJDH-JOCHJYFZSA-N 428.001 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCC[C@H]1C 1540154582 ZQZSPDHMXKJRMI-QVKFZJNVSA-N 449.368 4.576 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(F)(F)C1 1540910418 AUGZHMZPRAEMCY-UHFFFAOYSA-N 443.361 4.781 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1544174372 GEOJUTABOWHXLT-IBGZPJMESA-N 425.554 4.596 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)CCOc1ccc(Cl)cc1Br 1545088525 KTRMDFGIBSZDHK-UHFFFAOYSA-N 426.669 4.661 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccccc3C)nnc2N2CCC(CC#N)CC2)cs1 1554586496 FDKVHFUYLJCIGG-QGZVFWFLSA-N 436.585 4.596 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)c1 1556840217 CIVUYIWSMIUEAC-PXDATVDWSA-N 432.907 4.900 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)C1 1558269556 HKXIXHBLMPNOPG-KBMIEXCESA-N 443.547 4.622 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)OC 1558381399 ISLRXHRSKOYRRM-VQTJNVASSA-N 446.341 4.583 30 10 IJEE C=CCn1c(SCCCCn2ccnc2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1559308201 ZSDYAAWCJJULAH-OAHLLOKOSA-N 428.627 4.846 30 10 IJEE C=CCOc1cccc(NC(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OCC)c1 1562255434 CJNPJFPNEGFZCV-UHFFFAOYSA-N 425.529 4.909 30 10 IJEE Cc1c(Br)cccc1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1562705640 GPZGSPYLTXXNNM-UHFFFAOYSA-N 428.208 4.850 30 10 IJEE C=CCC[C@H](NC(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1564406846 PIPAMCSNFMVPPM-SFHVURJKSA-N 441.494 4.973 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(OCCC)ccc2C1)c1ccc(Br)cc1 1564999454 KUAFTCIOACZALV-OAQYLSRUSA-N 427.342 4.680 30 10 IJEE C#C[C@@H](NC(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccc(Cl)cc1F 1568899022 YQQNRZQWXWDCIF-HXUWFJFHSA-N 446.906 4.720 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(Cl)cc1 1583549208 GKBWRRUBQGBORE-LJQANCHMSA-N 448.935 4.764 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1OC 1586154991 LEHUYXGXVNWAQL-QBFSEMIESA-N 440.503 4.954 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 1586346186 MVGPWSRHSITOTN-LBPRGKRZSA-N 433.723 4.844 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 1587383456 YJVANKPDRZDWOA-LJQANCHMSA-N 444.915 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCc1nccs1 1587567160 CJQVJDATONAKAZ-SFHVURJKSA-N 444.608 4.900 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](CC)N1CCCC1 1587567227 DGSNINFJFAWLIK-NFBKMPQASA-N 444.627 4.685 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)OC)cc2)s1 1587628444 XXSWKLPWIXDNHM-JKSUJKDBSA-N 436.986 4.754 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1587936977 DNQCKKOHKIDASX-QUCCMNQESA-N 445.405 4.537 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CCCCC1 1589026199 CVYMMVFHJIIRNG-UHFFFAOYSA-N 433.021 4.990 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)c1ccccc1 1589390595 OSEQJCVATOBPDT-FYYLOGMGSA-N 430.552 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1C[C@H](C)O[C@@H](C)C1 1589625284 AAUYSMNCXUECDH-ROUUACIJSA-N 428.577 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1594035151 FKAPOXJAIKNCPI-AUSIDOKSSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CSCCS2)CC1 1594128203 NSTDVWJKTKHREV-GOSISDBHSA-N 437.034 4.516 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1594134685 UPAZUTNTBULPAB-NHCUHLMSSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CCSC1 1594472644 HJBKIJPFOBOVOI-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1594504329 OOKSRTSIFRKFDQ-UHFFFAOYSA-N 440.592 4.704 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1594552932 UGPTXEKCYTXWBS-WBADGQHESA-N 438.616 4.782 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC2(CCOCC2)C1 1594582792 UFOQVQFLECZZGY-UHFFFAOYSA-N 425.533 4.607 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1C1CC1 1595070681 JFCHKPGRFBRXLA-QFIPXVFZSA-N 437.632 4.794 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCC1(OC)CCC1 1595094538 UOOODONFSDLPQK-UHFFFAOYSA-N 442.567 4.672 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@@H]1C(C)C 1595149652 RFBXVGJAWAEIIJ-WIYYLYMNSA-N 425.602 4.599 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 1603510886 PGKBADLEUUWSEJ-NDEPHWFRSA-N 432.954 4.524 30 10 IJEE Cc1ccc([C@H]2NC(=S)N[C@H](c3ccc(C)cc3)C2(C#N)C(=O)c2ccccc2)cc1 1614015156 QOGWIFYVHNLSCM-DHIUTWEWSA-N 425.557 4.956 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1C 1615597642 DLLNNUJJWWQAIH-GHTZIAJQSA-N 435.597 4.620 30 10 IJEE C=C1CCC(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)CC1 1617664628 JETIDTSRKKZJRR-GOSISDBHSA-N 430.346 4.833 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccccc1 1623311181 JITFLZIHQBHLOE-IFMALSPDSA-N 435.568 4.982 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](c3cccc(C(F)(F)F)c3)N(C)C)cc2n1 1627664040 CBRSAKSZGRXZHP-HXUWFJFHSA-N 431.462 4.666 30 10 IJEE C=C(Br)CNC(=O)NCC1(c2ccc(Br)cc2)CCCCC1 1630505867 FWGRLIBEWULADZ-UHFFFAOYSA-N 430.184 4.859 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1638693431 FIPHKHQYFNGFMA-RUZDIDTESA-N 427.589 4.639 30 10 IJEE C#CCN(CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)[C@@H]1CCc2ccccc21 1652348031 TWVNUMROFLLEBA-SHQCIBLASA-N 448.994 4.760 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)Cc1ccc(C)cc1 1652356302 DQANEDAUSLHWLA-UHFFFAOYSA-N 432.543 4.933 30 10 IJEE C=CCOc1ccccc1CN(Cc1nc(O)c2c(n1)CCOC2)c1ccc(C)c(C)c1 1652862156 SIDQZWLLZIPKDP-UHFFFAOYSA-N 431.536 4.643 30 10 IJEE C#CCN(CC/C=C\c1cncc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1653389057 SFVRFCLJEPRSFU-CIRMQIMFSA-N 427.342 4.715 30 10 IJEE C=CCn1c(SCC(=O)C(C)(C)OC)nc2scc(-c3ccc(C)cc3)c2c1=O 1655967848 SJSASVJYFJHTFU-UHFFFAOYSA-N 428.579 4.706 30 10 IJEE C=C(C)COc1cc(CNc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)ccc1OC 1656209750 CSLKTEDMAITTAH-UHFFFAOYSA-N 444.597 4.745 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(c3ccsc3)CC2)cc1 1658316467 FPJHTVSSJLYXQS-UHFFFAOYSA-N 448.592 4.854 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCc3ccc(C)c(C)c32)cc1 1659023827 FXLFOVZCEPLPIO-UHFFFAOYSA-N 442.563 4.983 30 10 IJEE C=CC[C@@H]1CCCN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)C1 1664939265 ZDOXMPCROPQGGK-CYBMUJFWSA-N 427.389 4.549 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)C1 1665131305 NQGITJFQIBPQCQ-GOSISDBHSA-N 435.524 4.613 30 10 IJEE C#CCN(CC1CC1)C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1667643253 BZQRDXWHSDZIDP-UHFFFAOYSA-N 432.955 4.790 30 10 IJEE C[C@@H](NC(=O)N1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccc(-c2cccc(C#N)c2)cc1 1671561401 FSQNDUWJDIIYNQ-GOSISDBHSA-N 446.551 4.549 30 10 IJEE COc1ccc(-c2cc(CNC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)on2)cc1 1672020118 FOGKIOIVDMVLES-UHFFFAOYSA-N 441.447 4.731 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN([C@@H](CC)c4ccc(F)cc4F)CC3)cc2n1 1674576439 JWMLPMMGGGMRAE-QHCPKHFHSA-N 439.510 4.801 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br)c1ccccc1 1680581181 QUZWDKCZQLACFN-RTWAWAEBSA-N 447.373 4.840 30 10 IJEE C#CC[C@@H](NC(=O)N[C@@H](COCCC)Cc1cccc(Br)c1)c1ccccc1 1680742897 CGVBFUZDBFJXHG-FGZHOGPDSA-N 443.385 4.851 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1)c1ccc(Br)cc1 1686920482 YXDOHHDSIRRCEH-RBBKRZOGSA-N 427.342 4.505 30 10 IJEE CN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 1686929050 BMFPHSFKPIDPAA-CLJLJLNGSA-N 430.596 4.890 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1689895532 XJQASEOXVLWAJK-NRFANRHFSA-N 426.992 4.579 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](CC)C1 1690158175 ZCZHNQZPXHWSOM-NRFANRHFSA-N 433.625 4.955 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1CSC 1690428554 UJFGCDZSHUVFLK-MRXNPFEDSA-N 438.601 4.528 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@H](C)N1CCC(C)CC1 1690571869 LMPFGHXLXLHOLP-HXUWFJFHSA-N 425.596 4.683 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1690590320 UVMZXYQKLGUOTH-UHFFFAOYSA-N 428.584 4.803 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CC=CCC1 1705687849 JKVALDWRLBESMN-HNNXBMFYSA-N 437.332 4.848 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1Cc2cccc(Br)c2C1 1705701459 GPZKSVUIYQDSBG-UWJYYQICSA-N 445.405 4.741 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2cccnc2)CC1 1705764925 SJMOPGOZCJYTRR-UHFFFAOYSA-N 430.375 4.563 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1705771414 RYGYHOUQJPXVRJ-QHCPKHFHSA-N 425.621 4.688 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705812070 QMAFSJNXLCZACB-RTWAWAEBSA-N 434.588 4.729 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1705820489 OEWVEERDLMTQOU-PGRDOPGGSA-N 438.597 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1OCCC1(C)C 1705837164 RZUNOMHDXIIODM-MRXNPFEDSA-N 439.785 4.798 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC[C@@H](C)C1 1705838576 UHOMJJKYHZUNRC-GOSISDBHSA-N 432.012 4.741 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CCCCC1 1705873640 QIGTVUOLDUEDRL-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE CC(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 1706265176 HUSKNILRBRRCMI-IBGZPJMESA-N 447.505 4.801 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 1706952039 AASGMVLLXZMGRA-MSOLQXFVSA-N 433.478 4.726 30 10 IJEE COCCC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)CCCC1 1712336308 HVFVWKNMPHFRCZ-QFIPXVFZSA-N 437.588 4.625 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC(F)C1 1722311246 UICPYFWPHVJQIW-UHFFFAOYSA-N 437.332 4.835 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCCN1CCCC 1722393719 ICJHYNVJSDWAOF-JOCHJYFZSA-N 442.611 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@H](F)C1 1722517717 XHAXLKCUGBIEQI-INDMIFKZSA-N 435.588 4.589 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCO)CCc1ccccc1 1722520704 GPCRQARPGBQZQK-LJQANCHMSA-N 436.625 4.749 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(C)(C)C(=O)NC)CC1 1722561420 UNNHSVCHJOAOKY-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(CC)CC1 1722614430 NCZWLICJXNOFDM-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C)C1 1722621705 CJFCBJCRNWKGFO-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1722626033 GRUZVMAEAKCHDO-HXUWFJFHSA-N 437.613 4.941 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722628319 ZVVDARMUGLZHFI-NJDAHSKKSA-N 448.652 4.573 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCCC1(C)C 1722659964 IQKOQLYAQONMOE-AREMUKBSSA-N 449.574 4.921 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@H]1CC(F)(F)CO1 1722662137 DQDUAWVNEQJWPK-HNNXBMFYSA-N 434.487 4.763 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1nc(C(F)(F)F)cs1 1722665319 JQQDJYMLTVXUNY-UHFFFAOYSA-N 435.475 4.656 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1722674103 DZUBEGKRFSNSBJ-AHWVRZQESA-N 443.595 4.919 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 1722704948 QFGWMQUWRAAEGT-UHFFFAOYSA-N 448.411 4.775 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722731858 MYWLNEIRLJRNTJ-UHFFFAOYSA-N 448.615 4.745 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(OC)CC1)C(C)C 1728737214 GQGZGDANEBKMLY-RCZVLFRGSA-N 439.604 4.663 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1ccccn1 1740585156 ONRKNQMIRRDHBX-UHFFFAOYSA-N 428.565 4.822 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N(C)Cc1ccc(C)s1 1740596551 AYMRINKDTYPUBS-UHFFFAOYSA-N 426.611 4.999 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1740664897 IBHDHRHWLSURQN-OAHLLOKOSA-N 425.989 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](C)c1nccs1 1740754413 SGOOEMAKADZUQI-IEZWGBDMSA-N 427.574 4.524 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCCCC[C@H]21 1740788358 TXGSATWXNOBSDM-VQIMIIECSA-N 448.409 4.787 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCOC(F)(F)F)CC1 1740841176 JDICNEQSQXJPEO-UHFFFAOYSA-N 433.478 4.610 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1740849952 BMKDDQWZQJXAGH-HSZRJFAPSA-N 426.580 4.922 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccccc1Cl 1741135888 FEKFMZWUIDJTIC-MBOZVWFJSA-N 445.995 4.525 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccnc(C(F)(F)F)c1 1748651736 PQMYYKIHYGGHFU-CQSZACIVSA-N 425.414 4.611 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(OC)CCCC2)CC1 1749330646 KIBLGULQWYVWCF-UHFFFAOYSA-N 432.515 4.908 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1749402464 OIVXANJMXHROJP-ZEQRLZLVSA-N 433.600 4.859 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccc(C)o1 1749444921 GINMNYKSGNRILW-UHFFFAOYSA-N 431.540 4.932 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCC[C@@H]1C 1749528054 BKKGRPCMVVAXND-BVZFJXPGSA-N 436.556 4.599 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC[S@](=O)C(C)(C)C 1749538214 FMISIFQRBHCFQZ-PMERELPUSA-N 426.586 4.586 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCc1ccc(OC)c(F)c1 1749551007 OWKQURMREMUPCM-UHFFFAOYSA-N 449.555 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCC(F)(F)CC1 1749566069 VSQHBGBZLBDBIO-UHFFFAOYSA-N 430.499 4.720 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1760158205 GMDVGZKYSHALDZ-UXHICEINSA-N 442.991 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCc1nc(C(C)(C)C)cs1 1760220450 JMYDZMZXFPXTSW-UHFFFAOYSA-N 445.636 4.637 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1c(C)noc1C 1760225801 YONCZBWLBUAFKE-UTKZUKDTSA-N 435.572 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1C[C@@H](OC(C)C)c1ccccc1OC 1760293384 ULFAPOXIEBQBAW-ZEQKJWHPSA-N 445.567 4.507 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC)(CC)C1 1760325286 QCSRRNPNXVYEMU-WMZHIEFXSA-N 442.579 4.994 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1760351080 BSKCUZBQBNDDFD-INIZCTEOSA-N 433.394 4.880 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1760369065 DWSIYMNTBHZTRU-UHFFFAOYSA-N 431.371 4.951 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OC2CCCC2)CC1 1760370707 AXFRTTTZSJHCCB-UHFFFAOYSA-N 446.979 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1760414310 MQQOYIGPDZEOQP-REWPJTCUSA-N 431.584 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1760414335 NOOGHOFDMQBBHR-UHFFFAOYSA-N 428.024 4.809 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1760418619 VTAPTVWUAZPNQK-FYYLOGMGSA-N 431.584 4.953 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2CCC[C@@H]21 1760447207 JMOLRNMKOMIPDE-ZJOUEHCJSA-N 428.552 4.919 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(F)c1 1760452916 LLFDUHNIIGKDEH-NHCUHLMSSA-N 430.568 4.565 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760492296 NOASFPOPHLJTDY-MRXNPFEDSA-N 431.968 4.690 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)c2cccs2)C1 1760537992 VDYJHFKGJHRFNU-KRWDZBQOSA-N 444.004 4.814 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1761541751 ADRXXYMGGYTDJN-XMMPIXPASA-N 440.661 4.679 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C#N 1766349754 CPVCXQOHMDDNDN-HDMKZQKVSA-N 432.366 4.577 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CCSC)CCC(C)CC1 1769762044 FLNMKDSZUOFUJK-IQJRZOLZSA-N 441.645 4.990 30 10 IJEE CS[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)(C)C 1770439598 DTDWQBQVJKYYJL-VQIMIIECSA-N 427.618 4.598 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1772523121 HMEBGMLNIBSURP-BCQCSXDESA-N 449.643 4.704 30 10 IJEE Cc1nnc(N=C2S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)s1 1772736949 KEIVXJFEGFKVCH-LQRSTDMYSA-N 429.527 4.691 30 10 IJEE CCCCCCCOc1cccnc1NC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 1858820841 ITFYKZZEKDGAND-UHFFFAOYSA-N 434.581 4.906 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2nc(C)[nH]c2c1 1861454493 QCQFEVDATDWRQG-DEOSSOPVSA-N 434.584 4.689 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1862216469 NWOLIBFSGANAQS-BWKNWUBXSA-N 434.580 4.505 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862416301 FRBZGBATAUCLPG-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 1862517851 WTGMQUUGOIGDFK-QFIPXVFZSA-N 435.451 4.986 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C)cc1 1862543422 GQJQNLOUXNMYKE-DEOSSOPVSA-N 433.548 4.879 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC)cc1OC 1862601367 CHFKUAQFOODYAX-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(OC)c1 1862614768 DSFFYBYYTMDAAT-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1F)c1ccc2c(c1)OCO2 1862628387 ZTWXXQJTWWLTCD-OAQYLSRUSA-N 441.430 4.605 30 10 IJEE CN1CCCc2cc([C@@H]3C(C(=O)c4cccc5ccccc45)=C(O)C(=O)N3C3CC3)ccc21 1862657954 LBLYUANTVFFLRH-RUZDIDTESA-N 438.527 4.963 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862700936 SBGPBJIFQNAPQL-JOCHJYFZSA-N 449.528 4.586 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862724901 WSYZUCTZKBHQBT-BVZFJXPGSA-N 441.527 4.875 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(Cl)cccc1Cl 1862743356 ABJHAOGFBNLWGB-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2F)C1=O 1862924687 QHFCLDYZGUBGDJ-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2cccc(SC)c2)C1=O 1863063148 YVKPFHZMSJDPHD-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)cc1 1863107548 TWJDOSRGTQWUGZ-UHFFFAOYSA-N 440.528 4.617 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868400675 ABMYGEMPQXEHLT-IBGZPJMESA-N 427.508 4.767 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2Cl)c(CN2CCOCC2)cc1=O 1870409658 YUWFMYIPPBPHNU-UHFFFAOYSA-N 432.992 4.731 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1CCc1ccccc1 1870612586 DGZCVDXYPAGIOJ-UHFFFAOYSA-N 432.539 4.983 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CN(CC)CCCC 1870728261 GAEMPWHUVIQQIX-UHFFFAOYSA-N 439.600 4.797 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(C)cc2)cn1Cc1ccco1 1870777445 QOIUGAJSFKWJSC-UHFFFAOYSA-N 448.563 4.820 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1871006232 VWSKBWSINGQGLV-UHFFFAOYSA-N 437.628 4.892 30 10 IJEE C#CCOc1cn(Cc2ccccn2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871007400 BCVNYBIHSLVJKM-UHFFFAOYSA-N 435.527 4.891 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(C)cc1C 1871015427 FWGRFPWXOJDRQE-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871146714 WQTBNXRYOSVMKR-UHFFFAOYSA-N 426.557 4.835 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccco1)C2=O 1871384232 SZUPWXGURYEAKI-ZDLGFXPLSA-N 425.780 4.985 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCC(N3CCCCC3)CC2)C1=O 1871398385 GPXBFUBQSZJKMQ-UQQQWYQISA-N 432.564 4.767 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)c1 1871438706 NKHMXOZPTAGMSX-MTJSOVHGSA-N 433.485 4.893 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871452490 IALQBYQNGXZTRX-NHDPSOOVSA-N 439.851 4.884 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4OC)cc(C)c3C2=O)cc1 1871459492 WXZIOWUQZMXCOO-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 1871460668 YUMSOHRWKJLONK-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N(C)CCO)n1 1871571149 QCRSANZKYNIBOM-UHFFFAOYSA-N 449.043 4.980 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872212327 BFQXPGYWYWQXKN-QGZVFWFLSA-N 432.561 4.717 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C 1872317759 NQKJRVDNTMFSKQ-QFIPXVFZSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(F)cc1 1872427661 LSQQUZIYIWJFKI-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 1872772949 UXSBGNVDBVPCHA-PZJWPPBQSA-N 429.545 4.652 30 10 IJEE COc1ccc(OCc2nnc(SC)n2/N=C/c2cc(C)ccc2O)c(C(C)(C)C)c1 1874194526 UVBFCNKMPPYBOS-ZMOGYAJESA-N 440.569 4.781 30 10 IJEE CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(Br)cc1 1874258939 QDOXJJQIZPXWET-ZVBGSRNCSA-N 439.285 4.502 30 10 IJEE CCc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCCO)cc1 1874271278 NFUSYCYYWMSXIJ-NLRVBDNBSA-N 430.577 4.941 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874349316 GDBPILKERUVFPB-PCLIKHOPSA-N 430.533 4.758 30 10 IJEE Oc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2F)c1 1874384148 AUGNVAFBJRODLB-AFUMVMLFSA-N 434.496 4.876 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 1874428487 LIRJOWTURYDAAB-NLRVBDNBSA-N 442.544 4.949 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(F)cc1)NC1CCCCC1 1874428872 GIAAVPWGDALQNM-MFKUBSTISA-N 437.544 4.507 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)ccc1Cl 1874446214 VUAFHYJQWFTECV-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874488558 XNFOMIZJUQFALR-WSDLNYQXSA-N 425.514 4.573 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCC1 1874495068 SMTPGQDUXXZZEK-SSDVNMTOSA-N 429.546 4.668 30 10 IJEE CC(C)c1nnc(SCCO)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874517491 WNOWHKQZXRCISI-YDZHTSKRSA-N 430.961 4.601 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc([N+](=O)[O-])c1OCC 1874631236 RJTUELLLTIULES-BQYQJAHWSA-N 435.860 4.959 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1875129374 YRTSDKMULNBZMK-DHZHZOJOSA-N 433.416 4.727 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 1875163130 XFIXSIWCFSWEEN-SOFGYWHQSA-N 441.480 4.873 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1F 1926714015 ZCKNNRPPTKBQQY-WMZOPIPTSA-N 427.358 4.854 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1944714924 CLXJXEMZSNMGHU-RTBURBONSA-N 431.533 4.728 30 10 IJEE C=C([C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 1976563952 DPFPNECCQAXDGB-RXVVDRJESA-N 428.495 4.537 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(I)c(Cl)c1 1995499557 DPSFUIVAOQDXFI-AWEZNQCLSA-N 449.716 4.526 30 10 IJEE COc1cc(C=C2SC(=Nc3cccc(C(F)(F)F)c3)NC2=O)ccc1OCC#N 2041454930 ZIKPFVMAAKLKOE-UHFFFAOYSA-N 433.411 4.508 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CNc2cc(Br)cc(F)c2C#N)s1 2045300010 YVOKJJTZIPTDGR-UHFFFAOYSA-N 427.299 4.875 30 10 IJEE CC[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C)c(C#N)c1I 2079864847 YIOBKSVLRZRQMN-CYBMUJFWSA-N 437.178 4.825 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1Br)c1cccs1 2124722531 UJPIVHVMZBCTCH-OAHLLOKOSA-N 436.331 4.587 30 10 IJEE C[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)[C@@H]1CCNC(=O)OC(C)(C)C 2174764974 GDAURMZXXIPJOB-SUMWQHHRSA-N 440.357 4.980 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181147974 PECGCPHVZSPQDA-IIYDPXPESA-N 436.350 4.541 30 10 IJEE N[C@H](C#Cc1ccccc1Br)c1cc(Cl)ccc1I 2227477881 YACAOMUCZPUPAK-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H](N)C#Cc2ccccc2Br)cs1 2227505637 MPHXTGROSNQNEI-IUODEOHRSA-N 436.375 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@@H](N)C#Cc1ccccc1Br 2235746695 KXGVTNIQZXVXJY-CMKODMSKSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@@H](N)C#Cc1ccc(Br)cc1)Cc1ccccc1 2242584994 OPFIIKUSQHGFIQ-NRFANRHFSA-N 443.385 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(O)C#Cc2cccc(Br)c2)C1 2296217494 VFVULABAONWFDE-LRXVAGHRSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2296225049 QMKAXYQQWKZUEA-JLMWRMLUSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@H](N)C#Cc3cccc(Br)c3)c2C1 2296267470 UAEAUQKPTGAOTO-HXUWFJFHSA-N 427.342 4.751 30 10 IJEE Cc1ccnc(C#N)c1Sc1cc(I)ccc1Br 2316383687 CWNDTMRXWGSNNP-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CCc2ccccc2Cl)cc(Cl)c1OC 2322119816 GQZYCNILJXRIDM-UHFFFAOYSA-N 437.352 4.558 30 10 IJEE CCCc1ccc(OCc2nnc(S)n2N=Cc2ccc(Br)cc2)cc1 2322156457 GISMDLXDJLHCHV-UHFFFAOYSA-N 431.359 4.743 30 10 IJEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc([N+](=O)[O-])cc1 2322474600 RJIKOXPIWNWKKF-UHFFFAOYSA-N 432.476 4.891 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)c1 2322722987 SCXCWZQTODHOGQ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCCCCOc1c(OC)cc(C=Nn2c(S)nnc2-c2ccccc2)cc1[N+](=O)[O-] 2323512443 QCENCARNVGDBPO-UHFFFAOYSA-N 441.513 4.602 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(Cl)c1OCCCO 2323580555 GYTCWWDQUOYVQO-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE CCOc1cc(C=Nn2c(COc3ccccc3)nnc2SC)cc(Cl)c1OC 2323585306 ZQXRRUKNKBQILI-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE Cc1cc(OC(=O)c2ccc(C=CC(=O)O)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2323607521 KZSLNJIRUCJCFK-UHFFFAOYSA-N 432.453 4.990 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2C)c([N+](=O)[O-])c1 2323702082 HEBHKCVTZGBMGN-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)c1 2324306588 ASEXBRFMHPSIHH-OAHLLOKOSA-N 433.435 4.857 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 2324451595 CJJUYPCUUUHKKV-SFHVURJKSA-N 435.461 4.625 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2325272122 XVPIQSHVKYWWRY-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE O=C(C=Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(I)cc1 2325622947 HXDONKQVYMVTPY-UHFFFAOYSA-N 446.071 4.819 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccncc2)cc1 2328356111 KYPZWPKWWNIDPT-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)cc1 2328360591 DVXOHBPBYBLTOV-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1O 2329097489 GNAWKNYSSHNXEF-UHFFFAOYSA-N 428.945 4.787 30 10 IJEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(OC)c(OC)cc1OC 2329413902 LPJVPQJXPHRKNC-UHFFFAOYSA-N 440.569 4.506 30 10 IJEE COc1cc(C=NNC(=S)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 2330452697 NZCHHSQFDHHGHK-UDDWMFPDSA-N 437.609 4.897 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2330786245 TYRGMZQXDADFCQ-HXUWFJFHSA-N 430.884 4.728 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccccc1F)Nc1ccc(F)cc1 2331036139 SXSAJLUPSJQRCB-UHFFFAOYSA-N 441.507 4.827 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1C 2331319759 HYIRUOXXMJSGAV-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2)c1 2331669874 IECFZSYMCNGXLN-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE C[C@H]1[C@@H](C)N(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339601207 VVLMNSGWZRXURN-QJPGBWLHSA-N 443.397 4.560 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362706638 BHAGPGMDVQCAEX-UXHICEINSA-N 435.406 4.667 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](CCc1ccc(OC)cc1Br)NC 2364846749 OIEMWULAHIOCOK-MOPGFXCFSA-N 441.410 4.838 30 10 IJEE CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OC)c(Br)c2)c(C#N)c1C 1965055 KCOXWWGHGUELOB-SOFGYWHQSA-N 449.326 4.528 30 10 IJEE CC(C)n1c(SCc2cccc(C#N)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 23437667 HQLFNTUORYUOMN-UHFFFAOYSA-N 440.594 4.566 30 10 IJEE Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCc3ccc(C#N)cc3)nnc12 28938751 RWNZSUFWINTNEF-UHFFFAOYSA-N 437.528 4.814 30 10 IJEE CN(C)c1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)c1 32943462 TVLCKLJIMDZNIE-UHFFFAOYSA-N 443.526 4.814 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)CC(C)C 36122142 XENNSMTUKKNKGB-OAQYLSRUSA-N 440.609 4.622 30 10 IJEE C=CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2 37603069 FWGMAOBVTIYVHE-AHKZPQOWSA-N 448.607 4.975 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1ccccc1C(F)(F)F 59311179 CJHCTAONEQFXLO-UHFFFAOYSA-N 426.468 4.676 30 10 IJEE CCN(C)C(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59816586 VLQVGPFGKYDVQY-LZCVXGSNSA-N 432.553 4.516 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169935906 ZBVMWDFJEAXORA-XMMPIXPASA-N 449.466 4.831 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 169962571 MCAAGRSIPBWSBI-NRFANRHFSA-N 435.863 4.843 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(C)c2)cc1C 170143593 IVTCFFZSMBPOFB-ZJSXRUAMSA-N 449.547 4.850 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1 170167144 KLEHYHHIHZWAMW-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccn2)c1 170171583 PWZJPOFKMSOGJG-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3cccnc3)oc12 170188305 POJFEPGIPDKFAE-NRFANRHFSA-N 426.428 4.619 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccnc2)c1 170197331 YMHHMPPLBHWZMA-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(O)c1 170263608 ABXIXLKUTPKJJM-NRFANRHFSA-N 435.476 4.916 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1 170279920 AMJQLGXCQREAGY-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccco1 170280561 MKTYRKJLKBSUFE-OAQYLSRUSA-N 441.524 4.589 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@H]3c3ccco3)oc12 170289906 CVIMBIMDQLSYIV-NRFANRHFSA-N 440.411 4.689 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2OC)[C@H]1c1ccco1 170294704 AAXDFCJHZWFKSK-OAHLLOKOSA-N 440.279 4.592 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)cc1 170426362 KMFNJMDAQYDATL-GOSISDBHSA-N 435.398 4.719 30 10 IJEE Cc1sc2ncnc(NN=Cc3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)c2c1C 254616333 NPBVBNDDTCCDKX-UHFFFAOYSA-N 439.526 4.547 30 10 IJEE C#CCN(C[C@H](NCCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 407209059 PZVPGEAFWIGEDV-HNNXBMFYSA-N 431.321 4.638 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1CC 407426565 SHRJULRGZGIVFP-HOTGVXAUSA-N 429.403 4.566 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 409868478 FAWJKOJKRZMCHS-KGLIPLIRSA-N 425.337 4.949 30 10 IJEE C=CCN(C(=O)CN[C@@H]1CCOC[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 433174325 MZHDRYCFRHHKJF-SUMWQHHRSA-N 440.396 4.651 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(O)nc2ccccc12 443694292 ANOKRTJUSDOVMR-UHFFFAOYSA-N 444.304 4.740 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1C(F)(F)F 480109057 XMASTCQDUBBEKU-QGZVFWFLSA-N 439.441 4.936 30 10 IJEE Cn1c(=O)ccc2ccc(NC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc21 488353906 KRESTRZARKRDGT-UHFFFAOYSA-N 438.487 4.828 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1cccs1 489433566 RXJLIICECQNQKF-AWEZNQCLSA-N 428.608 4.812 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1cccc(Cl)c1 489616700 ADVZKYXCRFEZFJ-CQSZACIVSA-N 430.936 4.893 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 508816975 LQEVVEKFAHIEJW-FQEVSTJZSA-N 448.571 4.687 30 10 IJEE C=C(C)Cn1c(SCc2nc(-c3ccc4c(n3)CCCC4)no2)nnc1-c1ccco1 545766446 BPUHACPVLLDMPA-UHFFFAOYSA-N 434.525 4.730 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 549219027 JXAITGNYNUHSGT-HSZRJFAPSA-N 435.616 4.625 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 555254018 ZNBLIJIZKRTDRC-GOSISDBHSA-N 439.585 4.591 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N(CC)CCCC)C2)c1 585963521 CMJISTLHJVEKLT-JOCHJYFZSA-N 428.621 4.960 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)Cc1cccc(C(F)(F)F)c1 586155211 OXLHFOWPUFGQHL-UHFFFAOYSA-N 446.878 4.862 30 10 IJEE COc1cc(N(CCCC#N)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 586252393 ZFTQILSFVHIHIQ-UHFFFAOYSA-N 446.569 4.509 30 10 IJEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C(C)=O)cc2)cc1 586253568 KKKPKMZDGDZTBU-UHFFFAOYSA-N 434.517 4.555 30 10 IJEE N#Cc1ccc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(F)c1 609234642 ACFQSDQVYJXPAR-OAQYLSRUSA-N 438.846 4.729 30 10 IJEE CCOC(=O)C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1 609643190 ARBDSDZVHJZEIS-XMMPIXPASA-N 428.488 4.562 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1cccc(C#N)c1 610806766 RDFHFHAJSYMYEA-MRXNPFEDSA-N 435.553 4.884 30 10 IJEE CCN[C@H](CC#CC(C)(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693705677 HCOHGFVIEFUSIU-HSZRJFAPSA-N 441.660 4.964 30 10 IJEE Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1C#N 741369256 OSDRJLVSGGWXQY-QZTJIDSGSA-N 441.409 4.798 30 10 IJEE Cc1cc(S[C@H](C)C(=O)OCc2ncc(C3CC3)o2)n2c(nc3ccccc32)c1C#N 760474720 BLWHELZZXQIFTK-CQSZACIVSA-N 432.505 4.757 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 765730900 MMXLQZGWLQVYMC-UHFFFAOYSA-N 431.533 4.537 30 10 IJEE Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCC3CCC(C#N)CC3)c2)c1 799427063 UMDTUBPATZEFCN-UHFFFAOYSA-N 445.972 4.509 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)(C)C)C=C2)=C(/S)NC(C)C)cc1 912836278 JTVFNJAQHSTVTB-UHFFFAOYSA-O 440.633 4.932 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1cccc2ccccc12 917652506 HJALTYDOFHLRTN-QFIPXVFZSA-N 446.576 4.886 30 10 IJEE COC(=O)c1ccccc1N/C(=N/C(C)C)NC1CCC(CC2CCC(N)CC2)CC1 1088663242 ASGZAPQTGXHEDF-UHFFFAOYSA-N 428.621 4.706 30 10 IJEE C#CCSc1ccc(COC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1 1128035448 RKYNMHDBRJJYCZ-UHFFFAOYSA-N 445.466 4.736 30 10 IJEE Cc1ccc(-c2ncccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)s1 1128225058 DTVLHRFZGUALJA-OAHLLOKOSA-N 436.924 4.635 30 10 IJEE CC(C)(C)n1cc(Br)c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)n1 1129421332 BNPVWNLHSQTGSS-UHFFFAOYSA-N 440.301 4.712 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](Cc3ccccc3)c3cccs3)n[nH]2)c1C 1136752185 HXEDTEXLOJKGCH-IBGZPJMESA-N 431.565 4.851 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@H]1Oc1ccccc1 1138691129 BJDZLXRDEMSOMI-NQHRYMMQSA-N 428.488 4.705 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1 1161580785 SLADLGLGMVZZLJ-FQEVSTJZSA-N 439.556 4.706 30 10 IJEE Cc1c(C#N)c(SCC(=O)NCc2ccc(COc3ccccc3)cc2)nc2c1CCC2 1188400332 IFWQTDUMTCUWNI-UHFFFAOYSA-N 443.572 4.738 30 10 IJEE CCOc1ccc([C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)c2ccccc2)cc1 1222534667 CHVMTFRGXBKUJV-DEOSSOPVSA-N 446.576 4.640 30 10 IJEE C#CCOc1ccc(CNC(=O)NCC(C)(C)c2ccc(Br)cc2Cl)cc1 1228797179 ZELJJCGTBHCYGV-UHFFFAOYSA-N 449.776 4.892 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 1253384162 YQCHPIZSQZRCMW-YSIASYRMSA-N 433.296 4.763 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2(C(=O)OC(C)(C)C)CCCCCC2)cc1OC 1278236860 XYMGNUSNDDQJMI-WYMLVPIESA-N 429.557 4.824 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nccc3ccc([N+](=O)[O-])cc23)s1 1278731142 SWUXVGSKHTUNHX-UHFFFAOYSA-N 434.930 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H](C)N1CCCCC1 1286282598 NUCXQPNFRSTGQE-DLBZAZTESA-N 434.415 4.974 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H]1CCSC1 1286317024 IKLFRVNPESZZLL-LJQANCHMSA-N 436.581 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@](C)(O)CC)CC1 1286656835 PXUBELSBEWVBEX-DEOSSOPVSA-N 437.613 4.940 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1286659077 JEEFSNONLZOLDO-FQEVSTJZSA-N 431.625 4.526 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1286678284 UPTKTKPJBBESIU-ONTIZHBOSA-N 442.579 4.737 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286695523 BRMIQPKPWYDHHS-IBGZPJMESA-N 437.613 4.865 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC(F)(F)F)cc1)C1CC1 1286737383 OXSZADHIKTVMNE-UHFFFAOYSA-N 449.502 4.736 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1cc(C)oc1C 1286742132 NWQAKWXKPVWJKS-AREMUKBSSA-N 445.567 4.727 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC[C@H](C)C1 1286747887 OMUFRNLJLBSVBD-PMACEKPBSA-N 438.645 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CC[C@H]1CCCCO1 1286750234 UUYWYVTWKOWSDA-LJQANCHMSA-N 443.642 4.847 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCCN1CCc2ccccc2C1 1286763001 RNAKVUWBNSOIGV-UHFFFAOYSA-N 447.627 4.852 30 10 IJEE C=CC[C@@H](NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccncc1 1293578401 XDDHURPNYGKWOX-AVRWGWEMSA-N 441.531 4.742 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(OC)C1CC1 1300563916 PNNYKUBGMOIXOD-RUZDIDTESA-N 436.625 4.554 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@H]1CC 1300650542 UTCYFRSEKUPLJT-FCHUYYIVSA-N 431.559 4.869 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1300964100 OGXOTEAZLRACFW-UHFFFAOYSA-N 436.581 4.902 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@H](C)N1CCCCC1 1301272352 GFHFSCQTXAXTCV-UNMCSNQZSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1301338150 RCSZYLLXHBIENN-TZBSWOFLSA-N 440.588 4.679 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1Cc1cnc(C)s1 1301412651 HBMZZCMMACQUIY-UHFFFAOYSA-N 433.581 4.819 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCOC2)C1 1301594578 HBSJQEXZFBUQDD-YKSBVNFPSA-N 442.629 4.571 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1OC 1308512834 LWERONFFVIHZDF-CJNGLKHVSA-N 438.284 4.612 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 1310041598 OTXWXGUPPVCVFF-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE COc1ccc(-c2cc(NC(=O)N3CCN(c4ccsc4C#N)CC3)ccc2OC)cc1 1310089256 FFEYLGDJSHESIZ-UHFFFAOYSA-N 448.548 4.658 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)CC1 1310736758 HCNISUYYRNJGKO-UHFFFAOYSA-N 429.973 4.647 30 10 IJEE Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3scc(C(C)(C)C)c3C#N)C2)nc1 1310781456 DUEVMXKMOCLCOM-HNNXBMFYSA-N 425.558 4.503 30 10 IJEE C[C@@H](NC(=O)Nc1nc(Cl)c(C#N)s1)c1cccc(NC(=O)c2ccccc2)c1 1310857876 IAAQNISBMCKDCG-GFCCVEGCSA-N 425.901 4.803 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)C1(C)C 1314248677 GUPAUXDOILBXCB-VXKWHMMOSA-N 437.588 4.559 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)C1 1323719505 XXJMLPUOIFUQNT-ZDUSSCGKSA-N 449.807 4.596 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c(C(=O)OCC)c1C 1352792796 FGMGHAOGJINKIK-ZFWWWQNUSA-N 449.475 4.596 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(Br)c(F)c2C)c1C#N 1355836221 CRSOHMDYJAYQPW-UHFFFAOYSA-N 445.317 4.928 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)CCC 1359089551 KVYGGXLYFGDRMO-USXIJHARSA-N 427.431 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1OCC[C@H]1C 1359110067 ZAPVUDITRZLFTI-XMSQKQJNSA-N 428.577 4.568 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(COC)CC1)c1ccccc1 1359140743 KYQZKIPKUUFGOZ-DHIUTWEWSA-N 436.600 4.693 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCN2CCC)CC1 1359159165 ORTFZYCSQOTREM-UNMCSNQZSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1359163152 SMEBRURNIAZNOH-UHFFFAOYSA-N 425.577 4.667 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](c2cccnc2)C(C)C)CC1 1359168601 BCAJELJZSXMGBC-JOCHJYFZSA-N 447.583 4.857 30 10 IJEE C=CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(CO)CC1 1359198427 QNYBVRADYPHRIE-UHFFFAOYSA-N 437.613 4.942 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccsc1Br)C1CC1 1359247965 WCHYUBLWVYNMIO-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1OCCC1(C)C 1359254849 FYUXSLYEGAYYCY-VXKWHMMOSA-N 440.588 4.536 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)O[C@H](c2ccc(Br)cc2)C(F)(F)F)c1 1361156859 HMTZFMNIVBJJKV-MRXNPFEDSA-N 427.220 4.847 30 10 IJEE Cc1nc(SCC(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)c(C#N)c(C)c1C 1436156884 BQFXURMUWAKUQE-MRXNPFEDSA-N 436.364 4.917 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)c2C#N)C1 1436522859 HGJPBMQKHYEPLD-XHSDSOJGSA-N 431.602 4.965 30 10 IJEE Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)CCc1c(C)nc(O)c(C#N)c1C 1438353798 UFKQDEWZKGYVSU-HXUWFJFHSA-N 442.357 4.643 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccccc1 1439951774 QWIFGEDGRWSKEH-LJAQVGFWSA-N 427.957 4.925 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1442988473 JRXKCBJLBRHKCA-HHHXNRCGSA-N 428.963 4.798 30 10 IJEE C=CCC[C@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)C(=O)OCC 1449722978 BZJUMEZYWCLAEE-HNNXBMFYSA-N 438.952 4.894 30 10 IJEE C#CC1CCN(C(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)CC1 1452176559 LXYAWIDIBPCANG-UHFFFAOYSA-N 434.355 4.584 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1OC 1458530971 MLJSBKFBYZZKCZ-ZRDIBKRKSA-N 446.591 4.788 30 10 IJEE COc1ccc2c(c1)[C@@H](N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1)CCO2 1459569663 IEGVPELGSCARAR-VWLOTQADSA-N 441.531 4.921 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)ccc1Cl 1460037329 FHKFIDKYADYIOC-TZMOSPSESA-N 432.008 4.547 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1466110780 RKUPORVPQVTWQI-ZWKOTPCHSA-N 439.275 4.986 30 10 IJEE COc1ccc([C@@H](NC(=O)CNc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 1466396242 FJYWFEJVBYHIOC-QHCPKHFHSA-N 439.437 4.903 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)C1 1466684238 OZTPVZRGLHQSAE-LJQANCHMSA-N 427.570 4.924 30 10 IJEE C=CCC1(O)CCN(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)CC1 1468765226 RCFGPLUVZHAYCB-UHFFFAOYSA-N 445.357 4.854 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccc(C)cc1Br 1470583900 IKBJLQGVHUGPEL-JXFKEZNVSA-N 433.346 4.653 30 10 IJEE C=CCN(Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1473383244 HYJCFMMARCEGGX-FQEVSTJZSA-N 447.329 4.520 30 10 IJEE C#CCN(Cc1cn(C)nc1-c1ccc(C)o1)[C@@H]1CCOc2ccc(Br)cc21 1474386294 OBKYVFMYIJJKND-LJQANCHMSA-N 440.341 4.710 30 10 IJEE C=CCOc1ccc(OS(=O)(=O)c2cc(Br)ccc2Br)cc1 1475017796 UHDFDRZDCRCRET-UHFFFAOYSA-N 448.132 4.544 30 10 IJEE C#Cc1cccc(NC(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c1 1475846785 JOIGRBKQKCTGQK-HXUWFJFHSA-N 426.358 4.838 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Br)c(I)c1 1476099888 BHUXPGNEJZFKAQ-LLVKDONJSA-N 435.103 4.626 30 10 IJEE C#CCN(C(=O)Nc1ccc(C)c(OC(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1476518773 CFDXFSKLYPOQLF-UHFFFAOYSA-N 429.561 4.649 30 10 IJEE COc1ccccc1[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@](C)(C#N)C1)OC(C)C 1504367338 ATDSWGLLRQMKSQ-WIOPSUGQSA-N 439.604 4.782 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1csc(C)c1 1507524255 VDMKOLPRGBBHPF-AWEZNQCLSA-N 429.387 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1COCCC 1507548923 XIKYYPRMNYOPHK-WWPVKYPJSA-N 438.616 4.630 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1nc(C)cs1 1507602675 PIIVWKKJLVGFSF-GOEBONIOSA-N 429.977 4.710 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1ccco1)N(CC)CC 1507688026 YHLSOVMKJMFLFW-JOCHJYFZSA-N 430.556 4.562 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(F)cc1 1507782565 KJQDLHPFNWXSFI-UHFFFAOYSA-N 430.325 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1507803246 FQAKFQHJSGLBSW-UCFCWBNQSA-N 439.991 4.634 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](C)C1 1507847839 LREMJEOHRPBRIQ-RTBURBONSA-N 430.618 4.654 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1507859769 CTVIIUUCWIZXIV-IBGZPJMESA-N 432.012 4.653 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCSCC3)CCCCC2)CC1 1507884973 OTFDZMLKYHRXSU-UHFFFAOYSA-N 431.694 4.775 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1507888854 IZSWBHMUFJECCC-OAQYLSRUSA-N 425.577 4.529 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(C)c2)CC1 1507889423 GKIBSIGRZFLELJ-OYRHEFFESA-N 437.588 4.562 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)c(F)c2)CC1 1507898556 SQNMOSBVALSMDG-UHFFFAOYSA-N 448.315 4.765 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(N2CCSCC2)cc1 1508007891 JJJDZAFSIANGNH-UHFFFAOYSA-N 439.654 4.696 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1sc(C)nc1C 1508008461 ORPYUGYABYAWDG-GOSISDBHSA-N 443.642 4.742 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1508042396 GGCKJAWCJNFZFX-UHFFFAOYSA-N 429.515 4.739 30 10 IJEE C=CCSCCn1c(N2CC[C@H](C)[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508167587 JRQJFMJJSMOJFF-OKYOBFRVSA-N 449.665 4.593 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1c(C)nn(-c2ccccc2)c1C 1512886617 ANCDNZIETCVCKQ-GOSISDBHSA-N 431.588 4.773 30 10 IJEE Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nn(C(C)(C)C)cc1C#N 1515434643 BJLQRDLZUABTMM-UHFFFAOYSA-N 445.354 4.800 30 10 IJEE COCCN(CCC#N)c1nnc(CC(C)(C)C)n1Cc1nc2cc(Cl)ccc2s1 1519163562 BNNLZUGRAFPXIM-UHFFFAOYSA-N 447.008 4.545 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H]2CCCc3cc(OC)ccc32)CCCN1C(=O)OC(C)(C)C 1521771885 NSUPDYDSNBKAKL-CLOONOSVSA-N 428.573 4.577 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCc2c(C)cc(C)cc21 1528143877 BBTPMEYITUGZPM-UHFFFAOYSA-N 443.341 4.695 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2ncnn2CC)cc1 1529485655 MNQXRQZCUYDSSB-UHFFFAOYSA-N 443.320 4.695 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)CCCN1C(=O)OC(C)(C)C 1531593377 UIJCYQGCWBUHRA-CJFMBICVSA-N 445.579 4.565 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1534002285 GXJVRBQAKVAKSI-DLBZAZTESA-N 439.364 4.542 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C(=O)c1ccc(OC)c(Cl)c1)CCC2 1537637743 KDQPLHDLZLEZMO-CJNGLKHVSA-N 431.941 4.659 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCC[C@@H]1CC 1539193812 LVFDWZAVGSFWHX-QFIPXVFZSA-N 437.632 4.623 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nc(C(C)C)cs1 1539246708 WDPFNZKDAAJTOM-UHFFFAOYSA-N 449.649 4.977 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@H]1CC 1539504211 BMTFTNUUDXDSGZ-AZUAARDMSA-N 442.629 4.732 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)C(F)(F)F 1539815926 AKWQXGLHINELHO-PGRDOPGGSA-N 430.474 4.725 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cc(Cl)cc(Br)c2)CCCN1C(=O)OC(C)(C)C 1539898948 JRWHKOMPVAHGKS-IBGZPJMESA-N 442.737 4.801 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCSC2(CCOCC2)C1)c1ccccc1 1539947298 IKNCWIXLXJUROR-JOCHJYFZSA-N 440.657 4.939 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1539952969 MXRFVTOEROGEJB-UZLBHIALSA-N 432.515 4.907 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1539952979 CMUYHRXFMSLRRI-UHFFFAOYSA-N 447.583 4.910 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@@H]1C(C)C)C1CC1 1540098359 AGPDMDZNKBXZPS-YLJYHZDGSA-N 445.405 4.924 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2C[C@H](F)c2ccc(Br)cc2)C1 1540890547 GLPBVGIHGITPET-OALUTQOASA-N 449.368 4.800 30 10 IJEE Cc1ccc(NC(=O)c2ccc(Br)cc2C#N)cc1C(=O)N1CCCCC1 1543440074 CMGDCEVIDQXLDB-UHFFFAOYSA-N 426.314 4.508 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCc3ccc(Br)cc3C2)o1 1544609529 BHSKPYANGZPMHP-UHFFFAOYSA-N 437.293 4.691 30 10 IJEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC(F)(F)C1 1545129105 FLVXUVURKJRXEK-AEFFLSMTSA-N 431.556 4.974 30 10 IJEE N#Cc1ccc(Br)c(CN[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 1560312251 BAWCHOWZJHDMOM-QFIPXVFZSA-N 434.337 4.660 30 10 IJEE C=C1CCC(CNS(=O)(=O)c2cc(Br)c(C)cc2Br)CC1 1561905381 MTSLPRWAUUWIEL-UHFFFAOYSA-N 437.197 4.545 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1COc2c(C)cccc2C1 1562321697 CRXJBGLPBSUHPF-JOCHJYFZSA-N 427.504 4.879 30 10 IJEE COC[C@H](NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)[C@@H]1CCCO1 1562953090 BGCPBORCPNVMFG-OALUTQOASA-N 431.945 4.678 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCc2c1ccc(F)c2Br 1564753634 YYYHCWXNTYWJPK-IBGZPJMESA-N 428.305 4.845 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 1564913768 TXFHKFWENRPKPO-JOCHJYFZSA-N 431.502 4.720 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 1585593130 BBUOCXPKIOFXNJ-OAQYLSRUSA-N 431.504 4.602 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1587562404 OSRLYRPVWFSYCU-ZVDOUQERSA-N 439.604 4.533 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(F)(F)C1 1587782993 HQDADMHRYZFOJE-UHFFFAOYSA-N 436.934 4.900 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1587807803 JBMMIKGHPPHCOG-NFBKMPQASA-N 449.643 4.759 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1csc(C(C)(C)C)n1 1587921969 NZPDMZGHKXTARH-UHFFFAOYSA-N 444.608 4.868 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1588016447 PFBVITFZHNKQDO-REWPJTCUSA-N 438.616 4.819 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC2(CC2)C1 1588985391 RNQPACAFCLORIC-IBGZPJMESA-N 440.613 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1589545660 OLZUEWZADJCQLZ-ARNLJNQMSA-N 438.616 4.643 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCSC(F)(F)F)CC1 1594014192 PRTXGCDGNYRKMV-CQSZACIVSA-N 430.471 4.967 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2sc(C)nc2C)CC1 1594431087 VVCAPDFIQOMMRR-UHFFFAOYSA-N 427.549 4.520 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN1C1CCCCC1 1594857471 JTVYDKQPLVGNSB-FPOVZHCZSA-N 441.595 4.977 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1cccc(Cl)c1)C1CC1 1595062675 VJQRHXJXIBJTAN-QFIPXVFZSA-N 428.989 4.646 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1Cc1cc(Br)ccc1OC 1595219515 VRAGUURYUUAJLJ-UHFFFAOYSA-N 433.394 4.865 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1595228764 IAQZZCFQGAYSQW-QFIPXVFZSA-N 446.599 4.735 30 10 IJEE Cc1cc(C(F)F)n2ncc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)c2n1 1598303313 CAAFIXVVBFMOQS-LBPRGKRZSA-N 437.372 4.549 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(CC)C2CCCCC2)nnc1-c1cccc(OC)c1 1613596524 IBLUYKWWMYCXTJ-KRWDZBQOSA-N 428.602 4.802 30 10 IJEE COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccccc2)=C/C(=N\O)C[C@@H]1C 1615799031 JNURSSSYRMVXBX-RLMZTJQXSA-N 443.883 4.642 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CCC1 1619785075 HZTSKTNMRZMYNH-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE Cc1ccc([C@H](CC(F)(F)F)NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 1622000131 HEAMTCONPQWNQY-INIZCTEOSA-N 436.377 4.858 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C)c1 1622870472 GJYMAEGRCUYTMJ-UHFFFAOYSA-N 432.524 4.968 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](CO)CC3CCCCC3)cc2F)c1 1623023736 BEFWNBSWMYLBRS-OAQYLSRUSA-N 425.504 4.729 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)s1 1627976479 HOJHSKJSOKXFMH-HNNXBMFYSA-N 436.986 4.931 30 10 IJEE C[C@H](NC(=O)NCC(=O)Nc1ccc(Cl)cc1)c1ccc(-c2cccc(C#N)c2)cc1 1630192245 CWRVHJDMYXSKSR-INIZCTEOSA-N 432.911 4.878 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1637540439 WSPNESXXMMSFAO-PDGJWGCVSA-N 443.588 4.882 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C 1637677412 BGDLLLJDMBDKIS-ZDUSSCGKSA-N 449.292 4.501 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1640081071 JEILCMRHBXIZJL-CEYNDMKZSA-N 432.564 4.858 30 10 IJEE Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c1C#N 1640593586 HCSAHCYRTRRJKF-UHFFFAOYSA-N 443.580 4.615 30 10 IJEE COc1ccc(CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC2CCC2)c(OC)c1 1645397218 GHKCGHDVRHFFQI-UHFFFAOYSA-N 441.959 4.860 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccccc1 1648461257 FMIZBOBGIDUYQT-DNOBIOAJSA-N 446.370 4.522 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1sc(N2CCOCC2)nc1Cl 1652642052 SKKCQDOIRKEETL-UHFFFAOYSA-N 444.782 4.573 30 10 IJEE N#CC(CCN1CCCC[C@@H]1COC(=O)N1CCCC1)(c1ccccc1)c1ccccc1 1653561541 DNSNPIGQAVMGHT-RUZDIDTESA-N 431.580 4.973 30 10 IJEE C=CCn1c(SCCO[C@@H]2CCOC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1656187289 RMFYCQWLDCNDDS-QGZVFWFLSA-N 428.579 4.517 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2)CCCC1 1657990865 FDHRGRIIXXGQPM-UHFFFAOYSA-N 446.595 4.588 30 10 IJEE C[C@H](COCC1CC1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1661515041 DARKHHBEXHBNBD-GFCCVEGCSA-N 438.475 4.561 30 10 IJEE C=CCOc1ccc(CN[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)cc1OC 1662536108 GBCYANHSPAVYHA-WXVAWEFUSA-N 449.522 4.940 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(Cc2nccs2)CC1 1662576912 BVGLBCVMFMTFFO-UHFFFAOYSA-N 436.375 4.957 30 10 IJEE CSc1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1Cl 1662658182 BGTMFHFCVHELHE-UHFFFAOYSA-N 428.945 4.816 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1OCCN(CC)CC)c1ccc(Br)cc1 1666484496 IMGHHVNIZYESJN-IBGZPJMESA-N 444.373 4.666 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2cccc(Br)c2)CC2CC2)cc1Cl 1669065707 HHBLFTWUMQFDHB-UHFFFAOYSA-N 439.762 4.575 30 10 IJEE Cn1cc(CNC(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)c(-c2ccc(C#N)cc2)n1 1680013888 IFWMVQWGUQMPPP-UHFFFAOYSA-N 447.970 4.776 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cscc1Br)c1ccc(Br)cc1 1682357236 VPNCAFCMYYHIKB-HNNXBMFYSA-N 442.176 4.789 30 10 IJEE C=CCCC1(CNC(=O)N2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CCCC1 1682691588 AKAVUOZTLMGEDW-LJQANCHMSA-N 443.554 4.736 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2ccc(N(C)C)cc2)CC1)c1ccc(Br)cc1 1683507162 AFWURXRNWGXASS-JOCHJYFZSA-N 440.385 4.779 30 10 IJEE C#C[C@H](NC(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccc(F)cc1 1683664306 OSINFXMUWWYEGA-KRWDZBQOSA-N 437.696 4.520 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 1684022555 NQQUUYZOIJLVOV-SFHVURJKSA-N 426.388 4.587 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCC(C)CC1 1689841315 DLTRUEHUQBLTRV-JOCHJYFZSA-N 437.632 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690243317 JJFBLKRWCJNHBG-NQIIRXRSSA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CSCCS1 1690256219 GTZXXUOBMKTIEH-IRXDYDNUSA-N 436.622 4.808 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1690413442 UAGHEDKCWBMCKT-QHCPKHFHSA-N 443.016 4.894 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690456714 KARVROSWQALMMA-LJQANCHMSA-N 431.462 4.617 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)c1cccs1 1690460991 SDLYLIRXOUQTLP-QGZVFWFLSA-N 448.596 4.807 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)Cc1csc(Br)c1 1690487775 FMBRHRBXGBDCBO-UHFFFAOYSA-N 432.391 4.691 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)N[C@H](C)c2ccccc2)C1 1690699919 LFDBWJONLSKFCR-IRLDBZIGSA-N 439.648 4.777 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1690742656 XHNGZPFRUMHDIJ-LPHOPBHVSA-N 438.428 4.588 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCC1(F)F 1705588340 CKCLYSZVBWLZTO-RBUKOAKNSA-N 444.501 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CC(=O)NC1CCCCC1 1705719888 ONXIRDVOEZVLMO-UHFFFAOYSA-N 441.645 4.730 30 10 IJEE C=C(C)Cn1c(N(C)Cc2ccc(C(F)(F)F)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1705729603 IXFVIHIXDQFDDQ-OAQYLSRUSA-N 438.494 4.550 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC=C(Br)C1 1705749244 PVNTYKKKWZUIBZ-UHFFFAOYSA-N 444.160 4.849 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ncc(Cl)n1C 1705788617 HBHHIBNUFAZJGR-UHFFFAOYSA-N 428.968 4.579 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCC[C@H](SC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705802303 HGBYHNDQQRMNPM-CVDCTZTESA-N 436.666 4.643 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCOC(C)(C)[C@H]1C 1705913491 PPGLXPLGWXUDOL-GOSISDBHSA-N 438.597 4.547 30 10 IJEE CC(C)(C)c1nnc(N2CCC(CC#N)CC2)n1Cc1csc(CCc2ccccc2)n1 1706105191 ANROFUXMGWLGLV-UHFFFAOYSA-N 448.640 4.996 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C)CC1 1707039972 CXKXRSBGEPEMDH-AOMKIAJQSA-N 431.943 4.930 30 10 IJEE Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1CCc1ccccc1C(F)(F)F 1711261955 ADFWCCAXPPNXLN-UHFFFAOYSA-N 442.489 4.675 30 10 IJEE CO[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C#N)CC1)C(C)C 1711577393 DHSHUIZXNXKLMR-HSZRJFAPSA-N 439.604 4.700 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)CCOC 1722304381 XDEYNQGSLAXPAY-IBGZPJMESA-N 426.605 4.675 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1722309469 BDUVFZQGNLPWQC-GOSISDBHSA-N 440.588 4.647 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccc(F)cc1 1722323695 WDHAFJZXEQQUEA-KXBFYZLASA-N 444.461 4.881 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1722331341 DPFVZIMOWFUOAP-FQEVSTJZSA-N 442.350 4.638 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)Oc1ccccc1C 1722345923 KEOUSQACYWDVIV-PKOBYXMFSA-N 434.609 4.977 30 10 IJEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722350333 VPMORUPLTARHQP-PXNSSMCTSA-N 442.489 4.569 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC[C@@](C)(CC)O1 1722356304 LQFSMMGOXPAEQG-HYBUGGRVSA-N 445.007 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCN1CCCC 1722467761 FKBHQXJKURCBGG-BKMJKUGQSA-N 435.616 4.600 30 10 IJEE C=C(Cl)Cn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722557204 JQURBBJYBWWTLY-RYQLBKOJSA-N 443.979 4.883 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2(COC)CCCC2)CC1 1722561522 VTDSJDJIXOVUHJ-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCCCCn1c(N2CC[C@H](c3ccccc3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722609852 HGKYJKULCUOFCK-BKMJKUGQSA-N 438.616 4.977 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1nc(C)cs1 1722675734 QOWKGFJDQVDGIK-QGZVFWFLSA-N 434.569 4.737 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCc1ccccc1 1722686295 WNHTYZKXIXZHQM-OAQYLSRUSA-N 439.604 4.648 30 10 IJEE C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C#N)CC1)c1nccs1 1723817863 HLZQEHMAQLHFTC-ZDUSSCGKSA-N 430.940 4.738 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCCCC1 1740540339 YVRQVTJZCYDEMB-QGZVFWFLSA-N 435.597 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1(CCC)CC1 1740651799 LZQWYIMNJAMVBU-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)C1 1740713872 STZLTLLKSIZYNN-CYBMUJFWSA-N 427.426 4.560 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740812724 ITSCFQCFEQOWSA-QFBILLFUSA-N 425.791 4.836 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1740859349 KUWGPJPVAOCQPI-QZTJIDSGSA-N 428.577 4.810 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740882586 QSYBSMSZEJJHDT-KXBFYZLASA-N 439.387 4.706 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1C(F)(F)F)C1CC1 1740909296 FWUQRUGMTMQCFY-UHFFFAOYSA-N 443.473 4.879 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@@H](C)C1 1740997354 QTMVHUGEEXUPBX-IRXDYDNUSA-N 432.659 4.808 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCOC[C@@H]1C 1748834476 POEXZOSSHBMRRD-ICSRJNTNSA-N 448.567 4.558 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCCCC1 1748901900 DCOGDQWZSIKHFB-UHFFFAOYSA-N 449.668 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 1749125741 XMYZXKXFEFGXEX-BEFAXECRSA-N 447.352 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749161791 FPBWXIFLPVRFNS-CJFMBICVSA-N 427.612 4.921 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(F)cc(OC)c2)CC1 1749335058 MTLXJSOIJUGWCG-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1ccc(OC(C)C)nc1 1749538353 HNOLKSXVXFSVRK-UHFFFAOYSA-N 440.551 4.763 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCc1ccc(Cl)s1 1749538941 QLWXMOMAEUJRIG-UHFFFAOYSA-N 436.972 4.885 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCS[C@H](C(C)C)C1 1749689601 HRYIGDQVVCDXRY-YADHBBJMSA-N 442.629 4.711 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[C@@H]2CCCCO2)C1 1749701501 VBKNODYMLHSOTH-XZOQPEGZSA-N 438.616 4.983 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCC(C)(C)C1CC1 1760246191 SZCBTKXJJSYVOJ-UHFFFAOYSA-N 445.405 4.620 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1760327231 DYLOAOMXPHJMBD-FYYLOGMGSA-N 436.600 4.656 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2cccnc2)CC1 1760399900 XXGQBWLUTUMLKV-UHFFFAOYSA-N 447.583 4.781 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCN(C)C2CCCC2)CC1 1760405737 DTBOOGFZXXGJJJ-UHFFFAOYSA-N 437.632 4.696 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(Br)cs1 1760491370 DSRLCDHLEWJLTQ-UHFFFAOYSA-N 440.370 4.867 30 10 IJEE C=CCn1c(N2CCC(CCC(=O)N(CC)CC)CC2)nnc1C1(c2ccccc2)CCC1 1760513052 HZQULUAPFBYLRK-UHFFFAOYSA-N 449.643 4.799 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1765143477 DTWZJELVCCQKAL-FNZWTVRRSA-N 434.632 4.954 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](CC)C1)OC 1765245914 CMPGTSREVFMEMF-FGZHOGPDSA-N 441.645 4.990 30 10 IJEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)c2ncc(C)s2)c1 1770330594 DYZCJPGOQLPAKT-MRXNPFEDSA-N 436.585 4.652 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2cccc(Cl)c2)n1CCSC(F)(F)F 1771537940 AMVVDVGVCINLNZ-UHFFFAOYSA-N 429.899 4.982 30 10 IJEE Cc1nnc(N=C2S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)s1 1772738289 OFWPJXJIYOQSHE-ZRHYCJNMSA-N 429.527 4.691 30 10 IJEE Cc1ccc(NC(=O)C[C@@H]2SC(=NN=Cc3ccc(-c4ccc(C)cc4)o3)NC2=O)cc1 1772741790 CZQYWZMZHQVWGQ-NRFANRHFSA-N 446.532 4.514 30 10 IJEE CC(C)c1nc2ccc(C(=O)Nc3ccc(CC(=O)Nc4ccccc4C#N)cc3)cc2[nH]1 1859132297 XBJLEDIPIRNPNM-UHFFFAOYSA-N 437.503 4.991 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861211541 RJAAFJHEVDAGJG-BJKOFHAPSA-N 429.649 4.660 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)n(Cc2cc(C)ccc2C)n1 1862364081 OBBRHOVJMWWORS-UHFFFAOYSA-N 443.547 4.801 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2c(c1)CCCN2C 1862388111 BANQJNMVBQITKU-HXUWFJFHSA-N 445.346 4.974 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(OCC)c2)cc1 1862393133 OKWMOTAGNSSRAU-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1C(=O)O 1862414992 NBVLRRRVXBROTP-FQEVSTJZSA-N 443.446 4.822 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)c1 1862418411 HRIBFXYMLDTMSG-NRFANRHFSA-N 427.447 4.884 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862444629 CMKSXBRTTMTXCD-JRQSSSKMSA-N 441.911 4.908 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC)cc1 1862447165 JYBIZXMGVGGXGD-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862476528 LTHKHQNEIRXQJV-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Br)cc2)ccc1F 1862511062 ICXGATJVMAOGIG-SFHVURJKSA-N 432.289 4.883 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC 1862580131 YGZFSSPDYBCOJP-LJQANCHMSA-N 448.302 4.751 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2C)cc1 1862747986 XIDZOMVYVZWDIR-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863478685 JPMWJNMHDHQDAW-HNNXBMFYSA-N 429.501 4.582 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@H]1c1ccc(C(C)C)cc1 1864206867 WIKDMDVAODEZJX-OAQYLSRUSA-N 436.600 4.612 30 10 IJEE Cc1nc(Nc2ccccc2C#N)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868490509 KKAKNHWTONVDTE-UHFFFAOYSA-N 436.519 4.981 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)c1ccc(-n2cccc2)cc1 1870154094 LNCKZDZCMDYRTE-UHFFFAOYSA-N 446.470 4.974 30 10 IJEE CCc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1ccc(-c2ccccc2C)cc1 1870157877 NPVZEKWTEMRPDP-UHFFFAOYSA-N 437.503 4.694 30 10 IJEE C=CCOc1cn(C[C@@H]2CCCO2)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870386579 VHFIUIAJLCRFKB-SANMLTNESA-N 444.575 4.795 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)c(=O)cc1CN1CCCCC1 1870663812 XLADNEATOITDLL-HXUWFJFHSA-N 437.584 4.551 30 10 IJEE C=CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870810424 BWQFQNVTSHXLKG-XMMPIXPASA-N 432.520 4.997 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872133307 BMYOTZHMYDWJJZ-QFIPXVFZSA-N 428.598 4.986 30 10 IJEE CCc1cccc(C)c1N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)CC1=O 1872774200 KADYKJVLDBDVSY-IAGOWNOFSA-N 435.574 4.972 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3ccc(O)cc3C)cc2[nH]1 1872805580 XKVXDLLFPBKYBG-UHFFFAOYSA-N 429.476 4.973 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CC1=O 1873006511 IZGVUBAVAJHKCN-LJQANCHMSA-N 443.563 4.882 30 10 IJEE C[C@H]1CCCC[C@@H]1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873245429 ILNYUHAZUKZRNV-RBZFPXEDSA-N 439.437 4.746 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(O)c(OC)c1 1874225869 GUCHNCJPINDFKO-BUVRLJJBSA-N 440.569 4.615 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(F)cc1F 1874310291 OCDGWAPQIQPMRH-DHRITJCHSA-N 428.508 4.901 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1ccc(F)cc1)NC1CCCCC1 1874423023 QNRCNCQRXOOZNB-YDZHTSKRSA-N 443.573 4.569 30 10 IJEE CCOc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCC)cc(Br)c1O 1874438086 JLTMLTIKMMDMEA-RGVLZGJSSA-N 441.395 4.728 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(N(CC)CC)cc1 1874441166 LHWRCPNHLRBALL-LFVJCYFKSA-N 445.633 4.640 30 10 IJEE NC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1Br 1874605787 GGUVPHNGEAQCDD-ORCRQEGFSA-N 429.097 4.516 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 1875109819 GTSPURXJJZWFDO-ONNFQVAWSA-N 430.254 4.959 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875162262 FLTUYPTTZKXEHA-MTCRFPMVSA-N 436.838 4.997 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)c1OC(C)=O 1875193927 ANPYXLKADALSMH-VQHVLOKHSA-N 434.872 4.586 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CC(O)C1)n2CCCC 1875211761 MFHMPLYHJIHQCG-UHFFFAOYSA-N 429.609 4.601 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(O)C1CCC(NC(=O)OC(C)(C)C)CC1 1922076194 CQXZYKOTWGASRN-KCRWFKQWSA-N 446.632 4.572 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)CCCCNC(=O)OC(C)(C)C 1922085658 KCDKDWXMZSGHLW-RDGATRHJSA-N 434.621 4.574 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1930726947 QYHVZDKJWSRJDB-OCCSQVGLSA-N 434.172 4.681 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C1CC1 1985180689 PNXVDTBQBYLPES-AVRWGWEMSA-N 445.563 4.844 30 10 IJEE C=CC1(C[C@H](NCC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCC1 2002629972 JARUEBKWHVHTDU-NVQXNPDNSA-N 427.633 4.880 30 10 IJEE C#CC[C@@H](C)C[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2020077867 IRSIDONQVYQPPM-GGAORHGYSA-N 427.633 4.574 30 10 IJEE CCOC(=O)c1c(C2CCC2)nn(-c2nc(C(F)(F)F)ccc2F)c1C(F)(F)F 2078889206 KHYAEKFUIXCDKD-UHFFFAOYSA-N 425.304 4.888 30 10 IJEE Cc1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1I 2079185701 AATSMHZDELIXGW-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1cc(Br)cc(F)c1C#N 2107438638 NXHSMKKWTLSERP-BLLLJJGKSA-N 426.330 4.907 30 10 IJEE Cc1c(Cl)cc(CN2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)cc1Br 2111258347 HHWJRFFCMXEWRD-KBPBESRZSA-N 426.591 4.935 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 2124522939 ZKWPMQHUNCMSIR-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCN(c3cc(Br)cc(F)c3C#N)C2)C1 2174812227 IRKZANLGFAJCGQ-CYBMUJFWSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCCC[C@H]1CN(c1cc(Br)c(C#N)cc1F)C2 2174821479 IBYRJUDHOSYODP-VBKZILBWSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)C[C@@H]1CC(F)F 2177296862 DQLZJHZQFDPOMB-LBPRGKRZSA-N 448.283 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1C#N)C1CCCCC1 2181115750 XDSMXPQMZYHDHP-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CCC1(C(=O)Nc2ccc(Br)cc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2181133515 UONFXQKWZQVVOE-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2235749975 PVKDMKHEWVARKL-NZSAHSFTSA-N 435.406 4.814 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)(C#N)C1 2243926166 GFCYBLYQKMBIHS-ZADXLRFVSA-N 445.563 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1sc(Cl)cc1Br 2250729680 PAOQQJCSGMJHKQ-IRXDYDNUSA-N 430.795 4.949 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)C[C@H](C(C)C)N(Cc2ccccc2)C1 2261819289 ICIPLSWNNDVMNT-XNMGPUDCSA-N 437.580 4.920 30 10 IJEE CC1(C)OB(c2cnc(Oc3cccc(Br)c3Cl)c(F)c2)OC1(C)C 2269067431 QRLRNZDIZTWBCU-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C=CCCC1(C(=O)N(C)Cc2cccc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2281046286 ADNDIYZLRAICBF-UHFFFAOYSA-N 437.378 4.611 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296215714 CXVNPDIWFZUHDI-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2296218169 BHKRBNGKWBCONP-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2 2296222612 UDPRVJTYJOMTKD-XTWGIRIWSA-N 433.390 4.616 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(I)c1 2296252207 WIEWGVYVSINZFU-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2296293718 MQPUOHNWHSEYLY-XUVXKRRUSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@](C)(NC(=O)OC(C)(C)C)C1CCC1 2296303545 XOHIUSBJNHENOW-DENIHFKCSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#CC1CC1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315716043 ZSRHHYOFCQEWMK-LSYYVWMOSA-N 427.544 4.879 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCC(=O)Nc2cccc(C)c2)cc1 2320956428 IWDMPCJTWILJEN-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CC(C)[C@@H]1C[C@](O)(C#Cc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321515539 PCWHIYBXAPASMH-JTHBVZDNSA-N 442.353 4.599 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2-c2ccccc2)c1OCc1ccc(F)cc1 2321944841 JCVOKKBPWXWKSZ-UHFFFAOYSA-N 434.496 4.843 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1OCCO 2322843413 CNNAMDAUTOWWMV-UHFFFAOYSA-N 433.342 4.959 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C=Cc1ccc(OC)cc1OC 2323511341 PPEHONVRZJCSBS-JOCHJYFZSA-N 432.605 4.869 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)OCC(C)C 2323759491 GKIWSBHQWCOTPH-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325566657 JFHJRHFFDRCZPG-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE COCCC(=O)Oc1cc(C=CC(=O)c2ccc(C)c(C)c2)c(Br)cc1OC 2325760171 LRFBUVPYIYBAFV-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccs1 2326252332 LFDRJIVWAOMBLC-UHFFFAOYSA-N 428.583 4.910 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)cc1OC 2326724402 OJRDGPRYFMHSDL-UHFFFAOYSA-N 447.564 4.697 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)[C@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)c1 2328082151 IFHLTIAEGBBTNJ-IFMALSPDSA-N 441.959 4.652 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1 2328922156 RVYNXMLWFRWORV-UHFFFAOYSA-N 449.624 4.523 30 10 IJEE CCCOc1c(C=Nn2c(COCc3ccccc3)nnc2SCC)cccc1OC 2329323094 ZTEVYAWZDHAGJX-UHFFFAOYSA-N 440.569 4.787 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1ccccc1F)Nc1ccccc1 2330531704 XSJDOGRJTMEUER-UHFFFAOYSA-N 437.525 4.759 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)cc1O 2330541251 YYEUAFHBZYQTAM-UHFFFAOYSA-N 426.498 4.731 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2C)o1 2330839775 BNZSKBRVIVNLGG-UHFFFAOYSA-N 426.542 4.729 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339535719 FMJNALMYDBFSGK-CEXWTWQISA-N 441.381 4.536 30 10 IJEE C[C@H]1CCC(=NO)[C@H](OCc2ccc(I)c(Br)c2)C1 2349837019 POCHXGSNWPSQLN-LKFCYVNXSA-N 438.103 4.589 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360956317 NZQMMJNNRFPNLL-NSHGMRRFSA-N 435.406 4.720 30 10 IJEE COCc1ccc(CN[C@H](C#N)c2sc(Cl)cc2I)s1 2368023948 KNDQOYMPMQIWNN-LLVKDONJSA-N 438.743 4.568 30 10 IJEE Cc1cc(C)c(C#N)c(OCc2ccc(I)c(Br)c2)n1 2377639425 FGQXYRBLIOXABE-UHFFFAOYSA-N 443.082 4.516 30 10 IJEE COC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl 1010011 GWAINBVGBLZXSE-BFUOFWGJSA-N 444.314 4.851 30 10 IJEE O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21255851 AJVYMTACZOXGSM-UONOGXRCSA-N 430.287 4.726 30 10 IJEE C=CCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 33341923 ARRLRGBYALXTRO-ISLYRVAYSA-N 426.950 4.644 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 34955304 NHOMLZOJVRYCCE-ZROIWOOFSA-N 448.471 4.836 30 10 IJEE N#CCCN(Cc1ccccc1)C(=O)c1ccc(OC[C@@H]2CCCO2)c(Br)c1 36563651 BFYOKNIAHXMVTQ-IBGZPJMESA-N 443.341 4.563 30 10 IJEE CCc1ccc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)cc1 38623307 URAMLFPFYFJKJU-MSOLQXFVSA-N 430.504 4.556 30 10 IJEE C=CCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(Br)cc1 39846102 AVZKZCJRLDZBID-UHFFFAOYSA-N 449.326 4.543 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3OC)C4=O)C2)cc1 41586961 PVKHRQAOVJSKIW-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 101647710 DQZKQDRXNXAEHD-WOJGMQOQSA-N 445.924 4.901 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)cc1OC 103504195 GAZSKXUYXKWOAB-KGENOOAVSA-N 434.492 4.631 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925216 KEEUZKTYRWKUHE-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 169927204 QKWLKNNKMJKFBS-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(CC)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 169933052 SIAXMODQJARODP-DEOSSOPVSA-N 436.577 4.923 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccccc1C 169946302 VHFDLMLADWAMSK-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2)cc1 170029039 KDGQSWUYQABHND-HSZRJFAPSA-N 443.455 4.597 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(O)cc1 170133183 WEOOVDVHWJAKLK-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccs1 170157152 XMIAJKJWIZCHBM-LJQANCHMSA-N 441.892 4.899 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)cc1C 170157449 APBCLNCFYVUCNR-NRFANRHFSA-N 435.501 4.944 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1 170163116 WBLYSWLFGIRDGJ-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(O)c2)c1 170258641 VMLCVTNIYCJJRJ-UPCLLVRISA-N 441.483 4.807 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccco2)cc1C(C)C 170291410 KJWITKGGPBUNSG-HTAPYJJXSA-N 439.508 4.559 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)ccc1Cl 170295963 VMKZPFADHSZLDX-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)OCCO2 170326221 GVZWZCHRJOGYMX-HSZRJFAPSA-N 429.472 4.599 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)cc2)cc1Cl 170339341 UGHISOYFQARFSX-LJQANCHMSA-N 441.892 4.899 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)o1 170401791 ZHDHMNGXBZGVPT-HSZRJFAPSA-N 443.503 4.756 30 10 IJEE C=CCc1cccc(C=NNc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c1O 254288660 UWZPTSYRUFPUMS-UHFFFAOYSA-N 433.489 4.805 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1 437853782 XSYMDSQVDVSJQH-JPYJTQIMSA-N 437.515 4.634 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 461610849 DMNQJPARICAHJG-FXAWDEMLSA-N 435.959 4.574 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508793755 JFTXLDWVSOCWTO-UHFFFAOYSA-N 449.505 4.793 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 526490812 ZIZBSLZWFVOSPP-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE N#Cc1ccccc1NC1=C(SCc2ccco2)C(=O)N(c2ccccc2Cl)C1=O 526669387 VBZQXAUJQLCYCW-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE COc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1O 526802722 MNDZETZCZPOWJX-YSMPRRRNSA-N 448.523 4.897 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1[N+](=O)[O-] 526812452 WKMORYPYAXIBDM-JJFYIABZSA-N 431.905 4.803 30 10 IJEE CCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(N3CCC(C)CC3)cc2)cc1 586240216 QNVBCEDBQULSDV-UHFFFAOYSA-N 425.598 4.984 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 669730863 WCKDJBCTZDAKSK-IBGZPJMESA-N 429.520 4.595 30 10 IJEE N#C[C@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccccc1 700313281 ISOGGZSAUDSFNP-MHECFPHRSA-N 426.472 4.676 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)n1 731223155 AIJSPZVEKSYKDF-RTBURBONSA-N 447.589 4.696 30 10 IJEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 744982390 FCGUQGGOVMGFLF-RSDPBLMXSA-N 446.906 4.585 30 10 IJEE COC(=O)c1ccc(-c2nc(COC(=O)c3cn(CCCC#N)c4ccccc34)co2)cc1 769543813 STDBYJKPYYQEGW-UHFFFAOYSA-N 443.459 4.744 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 774581599 WUBASXXEHDCKMH-UHFFFAOYSA-N 446.532 4.808 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CCCN1C(=O)OC(C)(C)C 790375060 MBUJTOGTOXKXJI-QHCPKHFHSA-N 447.963 4.517 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)Cc1cc2ccccc2nc1Cl 795463883 BPXCNABPFPTQGV-UHFFFAOYSA-N 438.940 4.615 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(OC)c1 800628221 WSLMWVJLEDRMIK-UHFFFAOYSA-N 439.512 4.738 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809891506 TYBJAJLPTPBGFS-AJTFRIOCSA-N 446.595 4.751 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)NC2CCC2)[n+]2ccc(Cc3ccccc3)cc2)cc1 814184748 CIFBAHATCFCHBD-UHFFFAOYSA-O 426.565 4.790 30 10 IJEE C=CCOc1ccc(/C=C\c2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1OC 856582558 RYHWEYAVMBDASM-FNUUXAGOSA-N 437.540 4.710 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1cc(Cl)cc(Cl)c1 1084375901 NQTNKESPGBAMPQ-YEQYMXEUSA-N 447.351 4.953 30 10 IJEE C=C(C)[C@@H](CC(=O)NCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O)OCC 1124350881 USSXZPSQYOVRSJ-YFQSIASUSA-N 444.597 4.508 30 10 IJEE C#CCN(C(=O)[C@@H](C)Cc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1126150664 CZBWMRJTIOYJCW-LAUBAEHRSA-N 426.354 4.922 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 1128425330 HQJVPLSJZVLJID-LJQANCHMSA-N 426.582 4.891 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C(F)(F)F)cc1 1128969242 YNGUDSPXOVOFFN-XMMPIXPASA-N 435.401 4.983 30 10 IJEE CCC[C@@H](C(=O)NCC1(CC#N)CC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1156353669 FYNYUWZUCZVPDF-DEOSSOPVSA-N 445.563 4.846 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1F 1190188158 FEJIGNODXVDIRW-HNNXBMFYSA-N 426.218 4.804 30 10 IJEE C=CCSCCNC(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1204338522 IBKDPQKGSUTNHK-UHFFFAOYSA-N 433.496 4.771 30 10 IJEE C=C(Cl)C[C@@H](N[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OCC 1207129788 RUMFTSIRTUZEQZ-IAQYHMDHSA-N 441.277 4.740 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)C(C)C 1220597797 IWAMZROIAPCRIA-TZIWHRDSSA-N 426.630 4.884 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)C(C)C 1220600585 OYCNIEYHDNTGPD-DNVJHFABSA-N 441.616 4.555 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccccc1)N(CC)CC)c1ccc(Br)cc1 1221086100 OHFROSUHEKNCLD-NHCUHLMSSA-N 428.374 4.506 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C 1227924147 JYIMPGFPXFFZKU-QFBILLFUSA-N 427.342 4.549 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2OC)C1)c1ccc(F)c(F)c1 1234565773 GYZVKQCDTNYIFB-HTAPYJJXSA-N 443.494 4.651 30 10 IJEE C=CCN(C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1)c1nc(-c2ccccc2)cs1 1264216316 YHPPFYLFAZQTNL-UHFFFAOYSA-N 438.574 4.827 30 10 IJEE C=CC[C@@]1(C(=O)OCc2cc(Br)cc(C#N)c2)CCCN1C(=O)OC(C)(C)C 1270778594 CHMVTHQNAUGNDY-NRFANRHFSA-N 449.345 4.710 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)c1ccccc1 1277180726 IUAMKMVEQOIILX-OAHLLOKOSA-N 439.224 4.697 30 10 IJEE C=CCn1c(SCC(=O)NCc2cccc(C)c2OC)nnc1-c1ccc(Cl)cc1 1277585050 BJOHEJZFVBMREX-UHFFFAOYSA-N 442.972 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1286278566 PEAAQUGIOLDGEU-OZIGNCPNSA-N 442.579 4.856 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286316694 LHPPSZLMBGWMOV-LPHOPBHVSA-N 431.378 4.515 30 10 IJEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286409769 SYLUHIXUAQCYQS-IRXDYDNUSA-N 425.458 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCOCCC=C 1286423347 SBWRLVHMGWDQBG-UHFFFAOYSA-N 438.984 4.869 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCc2cccnc21 1286450147 DDTFLDJYLANHEV-QUCCMNQESA-N 433.531 4.532 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1286644274 PNTAHJFNNFONOF-SFTDATJTSA-N 425.596 4.999 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nnc(CC)s2)CC1 1286650599 FTIZMSPQHHWPBU-UHFFFAOYSA-N 447.033 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286666221 BUSCMAHUUGOSLX-UHFFFAOYSA-N 442.567 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2ccccc2)CC1 1286669721 PPRIWYAIYRJMQX-UHFFFAOYSA-N 432.616 4.598 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCO1)c1ccccc1 1286679427 PDVQCDWKKHUBEG-RBBKRZOGSA-N 437.613 4.609 30 10 IJEE C=CCCCn1c(N2CCO[C@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C 1286704766 GBJYZEHLUXJNGN-SFHVURJKSA-N 433.394 4.882 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@@H]1C 1286714541 RLBLEULKEXIRJY-HOTGVXAUSA-N 439.387 4.991 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1 1286740766 WHJOGPWGKNUBCU-UXHICEINSA-N 446.542 4.809 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cscc2C)C1 1286805128 RAJDUFSNRUNQOF-IBGZPJMESA-N 446.523 4.746 30 10 IJEE CN(CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nc2ccccc2s1 1291769441 CFNQPSPDQDXGOF-UHFFFAOYSA-N 444.535 4.972 30 10 IJEE C=C[C@H](CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)c1ccccc1 1300154309 UEMDYEJEPIVSAO-JMJGKCIBSA-N 442.600 4.800 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1300391906 IDROCKMJHDMCTE-SFHVURJKSA-N 434.918 4.892 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)[C@@H](C)CC 1300512006 FNZNDVWEDONFBH-HJPURHCSSA-N 441.000 4.683 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCCN1CCCCC1 1300521820 URAAIPKWIAQZNG-UHFFFAOYSA-N 445.655 4.972 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCOC[C@H]1C 1300785582 ACMCPPDIWHFSMD-DIVYTMEGSA-N 436.600 4.700 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC(c2ccccc2)CC1 1300843158 CLJLDFBDBUWRPN-LJQANCHMSA-N 431.378 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1)C(C)C 1300884861 MJKOQKCGNGTJCM-GIWBLDEGSA-N 442.579 4.707 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301212025 RFAFBNOCECPAOI-SFHVURJKSA-N 443.567 4.886 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1 1301234771 QEUSRJKMJCBYGR-QHCPKHFHSA-N 430.618 4.941 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1301237029 MEUSQBSADWVCFN-RTWAWAEBSA-N 430.980 4.699 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301445748 IEIHEDRCXZGEHN-JOCHJYFZSA-N 434.588 4.803 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCSC1 1301594675 IKELKFMJISZITD-OALUTQOASA-N 432.659 4.896 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1304672909 ZHCWMGLWOMICGN-NRFANRHFSA-N 426.582 4.884 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCCc1nc2c(s1)CCCC2 1305438225 FHEQTMJVYTWSCH-QGZVFWFLSA-N 426.634 4.890 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(OC3CCCCC3)cc2)cc1 1310133071 ZSPQWMCHVOWKOK-UHFFFAOYSA-N 443.569 4.849 30 10 IJEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCc2ccc(Cl)s2)cc1 1315394175 HKWAEIGCHUYZRN-UHFFFAOYSA-N 427.961 4.651 30 10 IJEE C=CCc1ccc(OC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(OC)c1 1350140115 DIUFCFYQDVSFTR-UHFFFAOYSA-N 447.516 4.962 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C1=O 1351883245 RTVZTRIFEBSIMS-UHFFFAOYSA-N 442.315 4.759 30 10 IJEE C=C1CCC(C(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)CC1 1352131239 PBFOSJNSZQOLOP-OAQYLSRUSA-N 442.556 4.928 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1356123072 HYDZYBIPUQQBSU-RUZDIDTESA-N 442.003 4.830 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 1357255447 WEDMIHMJMKCLSX-AHWVRZQESA-N 446.639 4.582 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1357290214 BGNLSARLZJMSEE-HSZRJFAPSA-N 436.621 4.757 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)C2)c(F)c1 1358061535 GGVVISINWUSAAW-HYBUGGRVSA-N 449.476 4.902 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1358905538 CUGPOHSOCGUSAP-HSZRJFAPSA-N 431.584 4.857 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1ccc(Cl)s1 1358975027 ZQRIWOHJKLABIA-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCc1cccs1 1359092394 ALQNDPUSHUENRP-UGKGYDQZSA-N 438.597 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@@H](C(C)C)C1 1359094758 FLYHSCVRBXGCKT-GGPKGHCWSA-N 448.036 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)c1ccccc1 1359108214 FVKPGGBYRKOPHH-UHFFFAOYSA-N 443.393 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ncc(CC)s1 1359108603 VBIYKHZSNXTWLT-UHFFFAOYSA-N 449.422 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCO[C@@H](C)C1 1359109878 SHHXWPPMFWGBFV-OALUTQOASA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1359128036 HYCQIYZEQZAHIQ-HXUWFJFHSA-N 444.023 4.503 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCOC(F)F)CC1 1359160420 UPDXBLWLSJEZLG-HNNXBMFYSA-N 426.895 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc3ccccc3[nH]2)nnc1[C@@]1(OCC)CCOC1 1359192119 WVARAJSNNFVTJP-RUZDIDTESA-N 437.588 4.650 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OC(C)(C)C)CC1 1359210201 MLJPSAHRXGQUFS-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1Cc1sccc1Br)C1CC1 1359249298 VRFMXCKGTJFDSF-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCO[C@H](C)C1 1359279196 WYQANQMZRUKYPO-IPMKNSEASA-N 444.645 4.585 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)C1 1360138049 AGGJWVPIZKEAHL-CTNGQTDRSA-N 432.572 4.728 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCCO1 1360497406 HLAZUZPEWIDMCY-RXVVDRJESA-N 435.597 4.762 30 10 IJEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)CCCC1 1453471787 LXNCOOYFNGXJEO-UHFFFAOYSA-N 428.554 4.505 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CC4(CCCCCC4)[C@H]3C(C)C)ccc2c1=O 1454822540 MOTRBZBKMDOLDZ-HXUWFJFHSA-N 425.598 4.692 30 10 IJEE CCC[C@H](C)N(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nc(C)c(C(=O)OCC)s1 1456635540 DWGMYZDSKFRQRP-ZOCIIQOWSA-N 425.554 4.825 30 10 IJEE C=C(C)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 1456872875 KRAFPBJHQFJMQQ-UHFFFAOYSA-N 446.878 4.699 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)c1ccccc1 1456898766 XEPHVRWWMFVLPF-GOSISDBHSA-N 436.961 4.601 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)C[C@H]2CCC)cc1 1458280855 ZGBOKTCJBMUUIE-OAQYLSRUSA-N 430.470 4.849 30 10 IJEE C=CCn1cc(CNc2nc(-c3ccc(OC(F)F)cc3)nc3sc(C)c(C)c23)nn1 1458442391 CKRGOUVUFHQVQH-UHFFFAOYSA-N 442.495 4.966 30 10 IJEE C=CCn1c(S[C@@H](CC(C)(C)C)C(=O)OC)nnc1-c1ccc(Br)cc1 1458828485 LAWMFECLXUGVEI-HNNXBMFYSA-N 438.391 4.964 30 10 IJEE C=CCN(C(=O)c1cc(C)cc(Br)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1458994926 GRBWLEUHZBZVSM-FQEVSTJZSA-N 430.342 4.560 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)OCc2cn(Cc3ccccc3)nn2)cc1 1459179536 CLISNZSJCOVOGS-UHFFFAOYSA-N 426.501 4.706 30 10 IJEE Cc1cc(C)c2c(c1)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)CC2 1459959233 FGVOWLZPYHTLJG-UHFFFAOYSA-N 430.527 4.719 30 10 IJEE C[C@H](Oc1ccccc1NC(=O)COc1ccc(C#N)c(Br)c1)C(F)(F)F 1460684767 BGHXOONIAOIQIQ-NSHDSACASA-N 443.219 4.668 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(C)COc3ccccc3O2)cc1OCC 1461651343 GHCIPTHVWMKKJO-JOCHJYFZSA-N 448.357 4.732 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1ccccc1OCCC 1465710907 SIVOBLWKIJEZKE-SFTDATJTSA-N 430.589 4.986 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](CCC)C1)c1ccc(Cl)cc1F 1470665784 JHHGNZGPPCTEKO-NZQKXSOJSA-N 427.951 4.850 30 10 IJEE C=CCC[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 1473324792 KICRONRSQVKWQX-HXUWFJFHSA-N 447.501 4.778 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1 1476034401 CYTJUPDKBYIDFM-NRFANRHFSA-N 426.520 4.994 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCN1CCCC 1507517972 SCCARFPNLXTMDT-JAXLGGSGSA-N 441.595 4.670 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1507838587 TZCTVKSEMYOUGD-OAQYLSRUSA-N 434.569 4.516 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)c2ccsc2)CC1 1507881552 WWTRRSRKLOBVEC-NRFANRHFSA-N 432.952 4.863 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2[C@@H]2C[C@H]2CCC)CC1 1507898222 POAMCSWOQJBRBT-IEBWSBKVSA-N 426.561 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1507920832 YFJQHCICSHBGEN-UHFFFAOYSA-N 444.693 4.617 30 10 IJEE C=CCCCCn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507937412 POSRYQOPBAJOLX-SQJMNOBHSA-N 442.579 4.808 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1csc(CC)n1)C1CC1 1507989091 WPNCJRGCFUCRBC-UHFFFAOYSA-N 431.512 4.769 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCC[C@H]1CCCCO1 1508006991 PEUZEKMPGTVZSU-LJQANCHMSA-N 425.602 4.887 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1508153596 NRARUEMFKZWFPZ-GCJKJVERSA-N 435.597 4.855 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCC(F)(F)C1 1508415820 DZHCCZZEGMDLSV-IRXDYDNUSA-N 445.514 4.528 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1523233034 PZTHVHDZOQJNRM-DYESRHJHSA-N 432.898 4.904 30 10 IJEE C#Cc1ccc(C(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)cn1 1527029461 NNCCVQLTPVUOQT-NRFANRHFSA-N 428.385 4.771 30 10 IJEE C=CC[C@H](C(=O)NCc1cc(Cl)ccc1I)c1ccccc1 1528534664 NTFYEAHFHXQSIR-INIZCTEOSA-N 425.697 4.921 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(c2cc(NC(C)=O)ccc2OC)C(C)C)cc1OC 1530050096 BOMWKRINBJLTFB-LCYFTJDESA-N 438.524 4.682 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3SCC=C(C)C)c2C#N)C1 1533853008 HNZJXFOICWCJGV-UHFFFAOYSA-N 425.579 4.835 30 10 IJEE CC(=O)c1ccc2ccccc2c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1538510209 HKKRWTBPTMCQBX-QGZVFWFLSA-N 431.879 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC(C)CC1 1539004126 RTXBDEQSRGAYHV-NRFANRHFSA-N 446.599 4.570 30 10 IJEE C=CCOc1ccc(CN(C(=O)CSCC(=O)N(C)C2CCCCC2)C(C)(C)C)cc1 1539005906 BFQQJOFMBJIYAO-UHFFFAOYSA-N 446.657 4.903 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1539125196 XCVLUTCQCDQCIP-HRAATJIYSA-N 442.535 4.588 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccsc1Br 1539162390 VXXOEGGXRMMAIC-UHFFFAOYSA-N 439.741 4.679 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1539903308 WCCFKXYUKICFKZ-KRWDZBQOSA-N 445.583 4.510 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1539918027 ZJNNRVFCOBXEMV-OALUTQOASA-N 429.634 4.923 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1539959203 HHIISKSTQNOJJK-QHCPKHFHSA-N 435.547 4.786 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539966467 KDXMBGOCCGUBPG-QKLQHJQFSA-N 432.515 4.874 30 10 IJEE C=CCCCn1c([C@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1540004883 HUCGJGZFDDZKBV-HOTGVXAUSA-N 431.378 4.634 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@@H]1OC 1540121736 VTQXVLKKANLGCL-IRLDBZIGSA-N 426.605 4.883 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C(C)C 1540707844 AEUJWBAVRUMAOG-QFIPXVFZSA-N 426.944 4.903 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1540915347 KCSQOUOLCONPPT-YADHBBJMSA-N 441.645 4.544 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CCCC2CCOCC2)c1C 1542029346 CTAMUDGHHXUWSC-FPOVZHCZSA-N 439.604 4.980 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)c2cn[nH]c2c1 1558446088 NZZZQNSCFFDAMP-HNNXBMFYSA-N 426.439 4.770 30 10 IJEE C#CCOCCSc1nnc(COc2ccccc2F)n1[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 1559307894 SYXAAQPVHPRFTB-VJANTYMQSA-N 429.561 4.735 30 10 IJEE COc1ccc(C)cc1[C@@H](C)NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 1559895462 FSFZWQMSVYZANH-LJQANCHMSA-N 442.563 4.834 30 10 IJEE C=C(C)[C@@H](NC(=O)N(C[C@H](O)COc1cccc(C)c1)C(C)C)c1ccc(F)c(F)c1 1564596239 ATCRFQJKARBXKZ-WMZHIEFXSA-N 432.511 4.750 30 10 IJEE C#CC(C)(C)NC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1565755763 BAOOUBKZFCQAGP-IBGZPJMESA-N 430.548 4.566 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)cc1 1565791559 GAJXRNCXULOUTG-QFIPXVFZSA-N 435.474 4.970 30 10 IJEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3sc4c(c3C#N)[C@@H](C)[C@H](C)CC4)c2C)n1 1584024178 BPBVAQPHFLVOCA-DOMZBBRYSA-N 448.596 4.696 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 1585103221 RZFLXNXWIVIDGK-LJQANCHMSA-N 444.572 4.593 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 1585593391 DXPPMFLVKHFAGI-PGMHBOJBSA-N 441.474 4.632 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 1585641036 GFGYTVHDUUCPEK-LJQANCHMSA-N 447.560 4.607 30 10 IJEE Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1586714536 CNLBSELUHZIHGV-LJQANCHMSA-N 430.895 4.574 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 1587877370 PZZDAJLITFTBPB-SKWRMQMOSA-N 443.632 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC)C1 1589504342 HJBJJOSWVUCZHM-JBACZVJFSA-N 430.980 4.585 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCc2nc(C)cs2)CC1 1594115321 PUPAWBURGIBTNM-UHFFFAOYSA-N 428.631 4.578 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1594491672 HTUHZIDUWCHTCM-IAGOWNOFSA-N 445.633 4.719 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(CCCCC2)O1 1594553131 XEBCZIQMBHHYJF-OAQYLSRUSA-N 443.636 4.579 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CCCC1 1594608353 JXWADWLWVRCQNV-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1594812740 JKEFNTQJOZHHTK-QUCCMNQESA-N 445.633 4.515 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCCCC1(F)F 1595094122 ODFWSKLPQNSICB-HXUWFJFHSA-N 449.509 4.625 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1595134158 TXBDUGWHFBWINE-UXHICEINSA-N 425.596 4.683 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1595171520 WHWJFPHXJVHKIO-BHDDXSALSA-N 429.653 4.701 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(CC)Cc1ccc(Cl)s1 1595501083 LRYRVHAJGDXQCT-UHFFFAOYSA-N 444.004 4.551 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1595859851 BKBHFPXKSOZMMJ-SFTDATJTSA-N 426.630 4.957 30 10 IJEE C[C@@H]1C[C@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CCN1C(=O)OC(C)(C)C 1611073649 BWZCYVJHIRYVNL-RHSMWYFYSA-N 426.542 4.656 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 1621586518 MRMSDCCIOSTZSC-UHFFFAOYSA-N 445.393 4.707 30 10 IJEE C=C(Br)CNC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 1623379609 GVCVAFIIOMHDCT-UHFFFAOYSA-N 437.647 4.789 30 10 IJEE CC1(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 1624973541 FDUBGJBKYDZCCP-UHFFFAOYSA-N 444.576 4.894 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nncs2)cc1 1625115457 KCBPAAVTAVSHEJ-MRXNPFEDSA-N 434.587 4.877 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 1629397766 PMXZIYQJOHCHQT-JXFKEZNVSA-N 429.948 4.962 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(SCC)cnc1O 1632118716 UOEGKRXCJZLHOT-UHFFFAOYSA-N 425.323 4.629 30 10 IJEE C#CCN(C(=O)NC1CC(c2ccccc2)C1)[C@@H]1CCOc2ccc(Br)cc21 1634700710 KWIJBLLPGLWELD-CNBHCMJISA-N 439.353 4.864 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(Br)cc1 1636563368 XSENDIPJPHYHNL-OAQYLSRUSA-N 427.342 4.514 30 10 IJEE C=C(C)CN(CC)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1636823513 ZXVLWCZMRBFPCE-VXKWHMMOSA-N 445.604 4.786 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(C#N)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643337877 GUSVEXCZHPRVIH-CQSZACIVSA-N 435.574 4.615 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccc(N(CC)CC)cc2)n1-c1ccccc1)C(=O)OC 1643546965 ZLZLAYXAPYMYKR-OAQYLSRUSA-N 436.581 4.990 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1OC 1651838663 QEMHVAMDVUTLHT-QGZVFWFLSA-N 438.996 4.992 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 1657725892 VCUJIPPSLMENJM-UHFFFAOYSA-N 426.992 4.745 30 10 IJEE CCC(CC)[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1cccs1 1659661649 GKUFYDIATYXRCM-KRWDZBQOSA-N 427.389 4.838 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1668171760 FXVQATWGBGWKQE-KRWDZBQOSA-N 428.432 4.908 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(OC)c1Br)c1ccc(Br)cc1 1669134496 HTTUVRAKFUPTBK-CYBMUJFWSA-N 438.119 4.716 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(OCC)c(OC)c1 1678351628 QNMGIWAQCJPEDP-UHFFFAOYSA-N 435.318 4.743 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 1680609425 XVYLZXQYZGQYHA-DEOSSOPVSA-N 444.579 4.793 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12 1683123888 UMWODDVHJHWKDB-GOSISDBHSA-N 425.552 4.814 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCC1CCOCC1 1689863697 ZHXBGCJQRPICBQ-FQEVSTJZSA-N 438.616 4.819 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCCC(F)(F)C1 1690026910 QIRQTTDSVGDHKP-NRFANRHFSA-N 440.538 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1690062048 AQQLSTQLNQMJHO-BGYRXZFFSA-N 428.024 4.816 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC(c2ccsc2)CC1 1690180260 BLOIMHMGQAOXDT-UHFFFAOYSA-N 436.650 4.875 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)Cc1ccc(Cl)s1 1690255096 OAYWUAPWIWTXAA-SUMDDJOVSA-N 437.009 4.852 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1690382635 XCIPBOPHLMGEEE-QFIPXVFZSA-N 425.621 4.607 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](C)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1690447640 UMKGWLJXWWCXMN-POGFHVCPSA-N 438.616 4.917 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1CC 1690500329 RGVOCZGYKCJVIU-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CC)CC1 1690613313 COQCSHTXNLPNGU-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)C12CCC2 1696189709 GKZDUBNKLVGJBW-YADHBBJMSA-N 437.588 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCOCC1 1705476731 DNHKUVIEHYDPNZ-ROUUACIJSA-N 430.980 4.573 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1Cc1cccs1 1705527316 ZKOPVBGAYAGLCF-IBGZPJMESA-N 436.581 4.649 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC)Cc1ccc(F)cc1F 1705703719 ONKJDCGSEVGHJH-XMSQKQJNSA-N 441.526 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)CN1CCCCC1 1705714747 DTZCXYIPAKCTCQ-NRFANRHFSA-N 434.632 4.961 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1705771651 ATTXZJASGWKCTN-QZTJIDSGSA-N 435.341 4.759 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705803375 OQHSFBXUWDPVDQ-NRFANRHFSA-N 448.615 4.552 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(F)(F)Br 1705848748 QCFPSAUWLMYXRF-UHFFFAOYSA-N 443.336 4.765 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1705853541 BRHCWJOHFIFESZ-UHFFFAOYSA-N 448.590 4.883 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2ccc(F)cc2C1)C(C)C 1705867364 MSUKUKNAZFIEJU-XMMPIXPASA-N 448.590 4.674 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705893056 AKMJLTUZVTWMIH-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC1(c2ccc(F)cc2)CCOCC1 1708420296 DOJHARRUHXCBKT-IBGZPJMESA-N 439.579 4.809 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)C(C)C 1722403732 CHAGSWYFLGEOSY-QHCPKHFHSA-N 426.561 4.679 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CC=CCC1 1722522869 ILRXWUPBNUMLGJ-LJQANCHMSA-N 432.572 4.605 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1722603545 XHYKWDPRYYKUOG-UHFFFAOYSA-N 433.478 4.676 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722605813 SYPMXYIOCADLGF-NRFANRHFSA-N 436.604 4.657 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCN1CCCC[C@H]1CC 1722657997 RLOVJOTXOIARAM-RPWUZVMVSA-N 437.632 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1740537588 WTSAMNDHPHUSNA-UFYCRDLUSA-N 428.024 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ncc(CC)s1 1740557234 MCXBVSSNULAHMH-QGZVFWFLSA-N 437.613 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CSCCS1 1740558583 TXQJHBWPRUOCTP-RTBURBONSA-N 444.670 4.595 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1Cc1ccnc(C(F)(F)F)c1 1740650108 PCCVQDYFWFKSHT-UHFFFAOYSA-N 449.436 4.616 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1740721856 WDUCFNIXTAIQRX-MOPGFXCFSA-N 426.630 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1cccc(NC(=O)C2CCC2)c1 1740771331 BBTSAPRKGXNBGP-UHFFFAOYSA-N 430.556 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1Cc1ccnc(C(F)(F)F)c1 1740775211 QOWXYRCZVVZMQE-UHFFFAOYSA-N 445.489 4.742 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)C(C)(C)C)CC1 1740821252 GGZWNCGSHWZGNV-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2ccccc2[C@@H]1C)C(C)C 1740926609 IIXZRZDGDIAUEB-GVXSCFBNSA-N 449.643 4.952 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCS2)C1 1740974067 BJAVMXHKNDMQSW-HZPDHXFCSA-N 439.412 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)c1ncc(C)s1 1748655735 FFIMWWHNXWHGMO-KGLIPLIRSA-N 429.977 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCSC1 1748680378 RFVGJQGCGNUPHR-RBUKOAKNSA-N 447.048 4.853 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1748699361 OFQWHUMCABDQKA-PMVMPFDFSA-N 435.616 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1CCCCO1 1749079904 CGHZTXUGYDUDGN-UWHHFBIGSA-N 428.621 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCCSC 1749120121 ATSOGGRXZHBEBG-RXVVDRJESA-N 426.586 4.862 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749207438 KLJNUDAUGXERSA-HUUCEWRRSA-N 426.508 4.790 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCCOC)C1 1749257023 HBHADCGFFZXAHW-FQEVSTJZSA-N 432.996 4.627 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(OC)CCC(C)CC2)CC1 1749347958 IFVGHMGBHHTIMK-UHFFFAOYSA-N 449.599 4.726 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1CC 1749398578 LHFZPVOKCKOCHU-NQIIRXRSSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CC1(C)CCOCC1 1749528550 UTOCGIJHYZYQRR-UHFFFAOYSA-N 436.556 4.864 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC(Cl)=C(Cl)C1 1749690240 OTWIEWHNJAHGSX-UHFFFAOYSA-N 442.350 4.853 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1760105221 MNOFVKIWHVVINX-LEDOBFOHSA-N 449.624 4.556 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1760148185 RHMMJGCDBLLSMO-CQSZACIVSA-N 430.325 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCSC1(C)C 1760336587 CNNPQLXTKKPIDL-XLIONFOSSA-N 428.602 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1760339075 YFBJKEIZHMOARJ-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1760378133 ACNAFWAZVHYOMU-UHFFFAOYSA-N 446.039 4.785 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@](C)(O)C(C)C)CC1 1760392516 SSWGKYKNOKZQSV-OAQYLSRUSA-N 439.387 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1760408998 WJOUJRSDKNZOHP-AZUAARDMSA-N 440.588 4.918 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCS1 1760477794 LBZKFRWTXQAXCB-NRFANRHFSA-N 435.597 4.827 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(Cc1cccs1)C1CC1 1760510883 SYTOXBBYRYKTMR-QGZVFWFLSA-N 443.617 4.809 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2CCCCO2)C1 1760537907 SZAFZVSHXDVVRT-LEWJYISDSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CCC1 1760560977 LRXZMDPYEPJDSG-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2cccc(C#N)c2)n1CCO[C@H]1CCCC[C@H]1C 1762845117 AWJPJZQARSUCJI-MOXWOTFGSA-N 439.629 4.742 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H]2CC)o1 1765621698 ANQKKEVCXBBOFH-UTKZUKDTSA-N 448.571 4.651 30 10 IJEE COc1ccc(CCn2c(O)c(N=Nc3ccc([N+](=O)[O-])cc3C)c(C)c(C#N)c2=O)cc1 1772740742 FIBDDEHLANDGFO-UHFFFAOYSA-N 447.451 4.617 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccccc1C#N 1858838565 KYSSWUDOQZUCOI-HNNXBMFYSA-N 449.898 4.965 30 10 IJEE CCCc1nc2ccc(C(=O)Nc3ccc(CC(=O)Nc4ccc(C#N)cc4)cc3)cc2[nH]1 1859132408 BTTUZAWSODPVGL-UHFFFAOYSA-N 437.503 4.821 30 10 IJEE CC(C)COc1ccc(CC(=O)Nc2ccc(CC(=O)Nc3ccccc3C#N)cc2)cc1 1860888386 JXXHCXDNHMOFBZ-UHFFFAOYSA-N 441.531 4.955 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(O)c2)ccc1F 1862507105 DVPHGQVDXULUHX-OAQYLSRUSA-N 437.492 4.722 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 1862583982 NSVYBVCJMODVHK-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)(C)C)cc2)=C(O)C(=O)N1CCCN(C)C 1862613437 IAQOEOYMWQFLEE-QHCPKHFHSA-N 434.580 4.823 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cc(Cl)cc(Cl)c1 1862631572 CWHGSZNHFCMJHW-GOSISDBHSA-N 434.275 4.710 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc3ccccc23)c1 1862704991 NWSSFXGPAIOHDV-XMMPIXPASA-N 445.515 4.589 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(C)cc2)cc1 1862736644 LUWSYOMWEMIZNR-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2ccc(Cl)cc2)C1=O 1863177962 QGSDESTZCHYGIK-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868494468 KOGTTXFMVLDNDG-UHFFFAOYSA-N 428.496 4.768 30 10 IJEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870162212 ORQRSLGCAAQCKP-GJZGRUSLSA-N 432.698 4.841 30 10 IJEE CCCCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(C)CCCC 1870348674 HSLWLCFCAULGBT-UHFFFAOYSA-N 439.600 4.738 30 10 IJEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2cc(Cl)ccc2C)cc1=O 1870811738 GIUSRWLSUQJXAH-UHFFFAOYSA-N 429.992 4.863 30 10 IJEE CCCCCCCOc1cn(CCCO)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870837770 XRWKOWYZIFWHOV-UHFFFAOYSA-N 445.560 4.663 30 10 IJEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CNc1cc(Cl)ccc1C 1870887206 VBEDJYQBKUJZSY-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871141132 CRWWEIIZBJKQSF-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871456478 HGQCMPWHNRVFCK-QRVIBDJDSA-N 432.451 4.525 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCCCC)cc1)c1ccccc1)S(C)(=O)=O 1872175912 YMUDGZAUCGUDJK-HSZRJFAPSA-N 444.597 4.773 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872549299 CBBNKBXMFCAKOK-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1Cl 1872784982 BUGLOJSWQMUEEW-HNNXBMFYSA-N 442.924 4.908 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)CC1=O 1872996753 MFPHTMWPYGSRRJ-SQJMNOBHSA-N 439.575 4.768 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(F)cc1F 1874221591 SCRFFKFSPUIJHM-MFKUBSTISA-N 446.523 4.961 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1c[nH]c2ccccc12 1874261061 GULZNIJFUKHLQF-BRJLIKDPSA-N 425.464 4.777 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)OC)cc1 1874439681 MVSVHIHVGYGKIV-HZHRSRAPSA-N 432.590 4.583 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1c[nH]c2ccccc12 1874479549 GMISTWRPPFOWRD-PCLIKHOPSA-N 440.617 4.725 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)cc1 1874480746 CDRBXBBRCMXKID-BUVRLJJBSA-N 437.569 4.587 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874486344 MUAZZSACDUMUPT-SSDVNMTOSA-N 442.416 4.626 30 10 IJEE COCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(Br)cc1 1874498055 PAWIMWKMAPUPFD-UFFVCSGVSA-N 435.322 4.501 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874521970 VKYJWPMPDVFCBM-SSDVNMTOSA-N 434.352 4.760 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)cc1 1874574779 FWILMDDSZOLELK-XYOKQWHBSA-N 446.341 4.601 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])cn1 1875097528 PIPFSXRSCFDPNL-UXBLZVDNSA-N 443.459 4.687 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)c1 1875101924 IBLJDAOJSCQHOM-FNORWQNLSA-N 429.188 4.822 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875152300 RLNUBQBKOXOLCD-CPSHHHPTSA-N 448.874 4.867 30 10 IJEE Cc1ccc2c(NC(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)cccc2n1 1891015300 XVVVQCZMLYGLFE-UHFFFAOYSA-N 443.532 4.987 30 10 IJEE O=C(NCc1ccnc(OCC2CC(F)(F)C2)c1)Nc1c(F)c(F)c(F)c(F)c1F 1891353799 NSPGBSQLFPCIHT-UHFFFAOYSA-N 437.315 4.523 30 10 IJEE CN(CC#CCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)on1)Cc1ccccc1 1891800822 IRHSCCCXRDFCDZ-UHFFFAOYSA-N 435.527 4.874 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1c(Br)cccc1Br 1937822769 DQIYYLCQNPLDPL-LSDHHAIUSA-N 449.183 4.584 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C[C@@]12CCOC2 2037745656 KBTQRXIBSCISMH-RPWUZVMVSA-N 449.592 4.618 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCC3)cc1 2068971630 RWTFDTSOVPQDBP-DEOSSOPVSA-N 443.544 4.872 30 10 IJEE CCc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2079061627 ZHORTHCAVQCUCX-NIQDBXHUSA-N 437.325 4.981 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2079897335 WQCJYQCFWKMWRL-CQSZACIVSA-N 431.224 4.551 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2235717665 BETUETVVGJZKCF-LCLWPZTBSA-N 433.390 4.567 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(CN(C)C(=O)OC(C)(C)C)o1 2235735101 YTMXPWJENNVQML-SFHVURJKSA-N 433.346 4.721 30 10 IJEE CCc1nc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255803686 SAKKHDGNNJKSPN-UHFFFAOYSA-N 442.434 4.693 30 10 IJEE N#Cc1cccc(Br)c1NCC1(F)CCN(C(=O)OCc2ccccc2)CC1 2257511431 HEQIJPSBMGVKFI-UHFFFAOYSA-N 446.320 4.874 30 10 IJEE Cc1cccc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267603572 FQDVRLWIXRNVOA-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@@H](N)C#CC1CCCCC1 2289694031 RYLALOIIJDPNIP-VQTJNVASSA-N 435.406 4.796 30 10 IJEE C=C(C[C@](C)(OCCC(=O)O)c1cc(Br)c(Br)s1)OC 2291161394 ORBBQWFSTKYONI-ZDUSSCGKSA-N 428.142 4.530 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2296294379 TUDWFXFDYHILNU-RBUKOAKNSA-N 433.390 4.711 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 2296299275 SUHCBFQGOFNSBB-JQVVWYNYSA-N 435.406 4.862 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(C)nnc2SCCC)cc1OC 2321173249 CUSMDXHFRLPTAV-UHFFFAOYSA-N 427.368 4.531 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 2322224484 PMJHRDMBMMTVBK-HVRNZWLGSA-N 447.506 4.678 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2C)cc1OC 2322346789 HWTKEIWLBMKIMC-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC(C)=O)c4)c3C)C2=O)c1 2323900451 OUINQPKECDDBPP-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325198595 ZHCKWOQOEDYWOG-UHFFFAOYSA-N 438.480 4.547 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(OC)c4)cc(C)c3C2=O)cc1 2325572172 VXHHEZISEIHNOV-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)OCCOc4ccccc4)ccc3C2=O)cc1 2325744685 BUGKVMULQOHFKP-UHFFFAOYSA-N 444.483 4.866 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OC(=O)c3cnc(C)cn3)c2)c1 2325758265 LCNZPIIAOLZASM-UHFFFAOYSA-N 432.476 4.698 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc1[N+](=O)[O-] 2326432473 HXEHMNVRUHLKBE-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)cc2F)cc1OC 2331100586 DDNXLOPANSYYDT-UHFFFAOYSA-N 425.225 4.947 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2sccc2C)c1 2331182563 DRDGFTLHHUNSIK-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C1CCC1 2331397199 ULNLIDNTAPVPML-UHFFFAOYSA-N 428.868 4.721 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)C=Cc1cccc(F)c1 2332202636 DSQHBZZCJQVOCX-UHFFFAOYSA-N 435.768 4.602 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339537071 TXGQTGOICSTGMH-LJQANCHMSA-N 443.397 4.610 30 10 IJEE C[C@@H]1CCC(=NO)[C@@H](OCc2ccc(I)c(Br)c2)C1 2349837020 POCHXGSNWPSQLN-OTYXRUKQSA-N 438.103 4.589 30 10 IJEE CC[C@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843542 JIMHSKUDIVHMIQ-UIOOFZCWSA-N 448.460 4.937 30 10 IJEE Cc1ccc(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCC[C@@H](C)C2)c(Cl)c1 14160167 FFIFYPWPGSOTOA-CQSZACIVSA-N 431.009 4.952 30 10 IJEE C=CCN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CC=C)c1ccccc1 18956516 JESKSCVSVWUPAY-UHFFFAOYSA-N 425.941 4.547 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n[nH]1)c1ccc(F)cc1 21081946 VNFBXSWKPWRLBH-VULFUBBASA-N 440.548 4.808 30 10 IJEE COc1cc(/C=C\C(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccnc1 33441686 NRSBXVXUHYSYDJ-WMZJFQQLSA-N 438.277 4.968 30 10 IJEE O=S(=O)(c1cccc(-c2csc(N/N=C/c3ccccc3)n2)c1)N1CCCCCC1 33960074 OACUYXOCPLKNSQ-XQNSMLJCSA-N 440.594 4.821 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 38593412 UKSLFFZWMDGIJD-GBXCKJPGSA-N 445.515 4.699 30 10 IJEE CCOc1ccc(/C=N/Nc2nc(SCC(=O)Nc3cccc4ccccc34)n[nH]2)cc1 59014602 LVLPWWRPJXXYDF-ZVHZXABRSA-N 446.536 4.533 30 10 IJEE CN1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)S/C1=N/c1nc(-c2ccccc2)cs1 101130085 MBGSZVUHWJPCII-BWHWHINRSA-N 436.493 4.505 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(OCC)c([N+](=O)[O-])c2)C(C(=O)c2ccccc2)=C1C 169928828 CIKPFQXYFKPPJO-NRFANRHFSA-N 439.537 4.792 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928916 BJRAZCJDPLVNMG-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1Cc1cccs1 169939636 QUGCPZFTAQPHPC-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccc(O)cc1 169962802 KWMNZCIYHTZFCJ-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 169991395 KACUSUARVADYPC-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)c1 170060634 MUUATEUBQBGCEE-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(C(C)C)cc1 170066708 NOCSCBBBFMKVMG-HYBUGGRVSA-N 449.547 4.884 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170076730 OTZBOXBLUDBGMF-JOCHJYFZSA-N 430.435 4.987 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170142242 MMMZCYQCKWDAQQ-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OC(C)C)cc1 170152523 HQQPFZTZASUIFN-QMHKHESXSA-N 435.520 4.786 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)[C@@H]3c3cccs3)oc12 170162995 SJKAACBCZLTGRI-HXUWFJFHSA-N 446.484 4.676 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)c(OC)c1 170227116 VOSPVTABAWFLAJ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)ccc1Cl 170233482 HPMRMTRKVFMPGL-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170234905 JKGTXFVETGCBLX-NRFANRHFSA-N 443.927 4.697 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)cc1 170239926 NWQXWDITZFFROY-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)c1 170241056 ATIPTAPNOQUELJ-QFIPXVFZSA-N 435.451 4.984 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F)c1cccc2ccccc12 170250142 UTHGIPQFTQINIU-UZUQRXQVSA-N 431.463 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)cc1OC 170272093 IFBLKQKBAWYLCN-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299471 OZJDKFBITNZWPT-OAQYLSRUSA-N 437.398 4.584 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OC(C)=O)c1 170321362 KXRZPISFQSQISB-IBGZPJMESA-N 448.302 4.907 30 10 IJEE CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)cc(Br)c1O 252635921 XBXLMFFUVKCVPS-CLEIAUBXSA-N 433.327 4.787 30 10 IJEE O=[N+]([O-])c1cc(C=Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(O)c([N+](=O)[O-])c1 254815704 CGIXTGWZJJOAEJ-UHFFFAOYSA-N 436.405 4.942 30 10 IJEE CCC(=O)c1ccc(OCC(=O)N2CCCSC2=Nc2cc(C)ccc2OC)cc1 254855154 GZJLDUGBKXLCSV-UHFFFAOYSA-N 426.538 4.628 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1ccncc1 438817277 FAVITGMGPQWBDY-INIZCTEOSA-N 435.336 4.839 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1nccn1Cc1ccc(OC)cc1 488727059 ADVJSLYVFRJNSF-UHFFFAOYSA-N 425.579 4.949 30 10 IJEE C=C(C)Cn1c(SCC(=O)c2cccc(Br)c2)nnc1-c1ccncc1 489444584 KQGHAXUBSAYHMT-UHFFFAOYSA-N 429.343 4.654 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(F)cc1F 489679623 BJZSSZNLZHYCRT-OAHLLOKOSA-N 444.507 4.749 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 521736147 DYORQPZALTZOMT-JOCHJYFZSA-N 442.947 4.783 30 10 IJEE C=CCN(C(=O)C1CCC(F)(F)CC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 535459558 MAPPBLBITZKDES-UHFFFAOYSA-N 440.537 4.558 30 10 IJEE C=CCOc1c(Br)cc(CN2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)cc1OC 555367407 CBLYOZCTINKQMP-ROUUACIJSA-N 446.389 4.667 30 10 IJEE C=CCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586150012 KPIPVFKSVRWRNE-UHFFFAOYSA-N 447.597 4.691 30 10 IJEE CN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc(C#N)cc1F 609217481 HSLHQHNHBIIZOV-UHFFFAOYSA-N 430.302 4.789 30 10 IJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 710803424 VLJLGLFCIWKSDN-KWXIBIRDSA-N 434.624 4.543 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCC2(C1)OCCO2 712792939 BJWYJOXJJSIZPZ-LJQANCHMSA-N 437.334 4.770 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 745058323 CNLPTFPUFMVLEW-XMMPIXPASA-N 442.471 4.877 30 10 IJEE COc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)c1 762440333 XDFYSSFKMHDYIX-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2C[C@H](c3ccccc3)OC[C@H]2C)c1=S 764961863 IKDVVPQALHHMRH-DENIHFKCSA-N 436.581 4.599 30 10 IJEE COC(=O)[C@@](C)(NCc1cc(Cl)ccc1OCC#N)c1ccc(Cl)c(Cl)c1 775743833 LUQAKYYFGYDWEP-IBGZPJMESA-N 427.715 4.727 30 10 IJEE COC(=O)c1ccc(C=NNc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)cc1 1084651086 LMHYXVMGKBZQJD-UHFFFAOYSA-N 436.324 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1124979932 VIEZBJBSSILPSE-ONTIZHBOSA-N 431.001 4.598 30 10 IJEE CC(C)(C)n1cc(C#N)c(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)n1 1126758301 FGDYVVRYUJSNKV-UHFFFAOYSA-N 433.459 4.833 30 10 IJEE C=CCN(C(=O)[C@@H](C)Cc1cncc2ccccc12)[C@@H](Cc1ccccc1)C(=O)OCC 1128002998 FNJWMUMCZDHSNB-CPJSRVTESA-N 430.548 4.602 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)COCc2ccnc(O)c2)cc1 1129808339 PUJBZFXKSSDIGV-UHFFFAOYSA-N 425.897 4.619 30 10 IJEE C=CC[C@H]1N(C(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)CCCC1(C)C 1139510896 HTYSNYDTOQZMEL-LJQANCHMSA-N 426.561 4.566 30 10 IJEE C#CCN1CCCN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 1147283213 DYJOVWRVUHTCFD-OAQYLSRUSA-N 433.404 4.994 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C(C)C)s1 1159151180 PCURJGPQSWILMV-IRXDYDNUSA-N 428.067 4.560 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)CCCC1(C)C 1189785015 MEBBOKYUGBBPNK-QGZVFWFLSA-N 437.499 4.859 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(Br)cc1F 1194834868 SCDALDKCORXQLH-KGLIPLIRSA-N 425.367 4.904 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3cccs3)C3(CO)CCC3)cc2)nc1 1199244751 GKHOHLBSLRFLNP-NRFANRHFSA-N 434.521 4.832 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)cc2n1 1209591416 UFNWJTMYSIINNI-UHFFFAOYSA-N 445.445 4.711 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 1211493994 GFKIYQSXSOANJW-FQEVSTJZSA-N 425.472 4.586 30 10 IJEE C=C(CNC(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1217764056 VHFUTZHZDLSOFM-UHFFFAOYSA-N 425.504 4.954 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(Cl)ccc1I 1218428044 CXPRLSZVNBZARK-UHFFFAOYSA-N 444.631 4.740 30 10 IJEE C#CC[C@H](NC(=O)Nc1cnc(-c2ccc(Br)s2)nc1)c1ccccc1 1219240860 BPMRDCMMBUJUMY-HNNXBMFYSA-N 427.327 4.854 30 10 IJEE C#C[C@@H](NC(=O)Nc1nn(CC(F)F)c2ccccc12)c1ccc(Br)cc1 1220454856 LJRQQRLQWMYZNV-OAHLLOKOSA-N 433.256 4.560 30 10 IJEE C#CCN(C(=O)NCCCCCCSC)[C@@H]1CCOc2ccc(Br)cc21 1226123256 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MPDKJXZEFLVMOH-HXUWFJFHSA-N 428.602 4.869 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286705875 JNXNRLDBCCHELH-YLJYHZDGSA-N 428.602 4.549 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2cccc(F)c2[C@@H]1C)C(C)C 1286751957 OYBJKBNUOUXLHS-UGKGYDQZSA-N 425.596 4.802 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1287596863 BDZARNQVLLTVQU-KJOQGJGQSA-N 446.599 4.524 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2C=CCC2)ccc1Cl 1288327825 RKGNRQVXZJJFKF-MRXNPFEDSA-N 448.947 4.556 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1Oc1cccc(F)c1 1290933440 GBMPQONAFOQJPY-GOSISDBHSA-N 449.910 4.665 30 10 IJEE C=C(Br)CNC(=O)c1sc(-c2ccc(C)cc2Br)nc1C 1292375006 KBCZVTBFALJNNC-UHFFFAOYSA-N 430.165 4.828 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC 1296313056 MSQXBJSOAKFUDP-HRCHSMGBSA-N 447.453 4.892 30 10 IJEE COc1ccc(C2=NO[C@H](CNC(=O)c3ccccc3Oc3ccccc3C#N)C2)cc1C 1296889737 DITFGODGWJYDPH-FQEVSTJZSA-N 441.487 4.591 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1299437518 AFTGHFYIVHQFCR-AZUAARDMSA-N 435.524 4.774 30 10 IJEE C=CCc1cc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)cc(OC)c1OC 1300049009 BJMABXICIQUBSL-UHFFFAOYSA-N 448.607 4.951 30 10 IJEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1300449227 FHXKJXLGSGQOHP-TZIWHRDSSA-N 431.584 4.793 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C/C=C\c1ccccc1 1300517111 XVSIHVIIGSOYTF-FLIBITNWSA-N 437.366 4.555 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H]2CSC)nnc1C1(c2ccccc2)CCC1 1300863683 RERZMAWBAXULBT-SFHVURJKSA-N 447.446 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1300876922 SSPACFSLHSNNDA-XCJLJZCSSA-N 430.618 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1snnc1C 1300899321 DFBIRPNYFBETSU-SFHVURJKSA-N 426.590 4.646 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1300982103 AOQGAYJZOXCLOZ-VQTJNVASSA-N 432.996 4.831 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN(C)CCOC)CC1 1301114361 QGQSENXDGIUXRB-UHFFFAOYSA-N 439.648 4.613 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(c3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)C 1301158251 AAUZIQXGQIOFOM-UHFFFAOYSA-N 429.584 4.652 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301234038 CRQQGNMXGBEMGU-KRWDZBQOSA-N 443.020 4.917 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)c1cccs1 1301383936 KSZGZBHFWQZUFB-XMMPIXPASA-N 431.565 4.641 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1301554381 FXMWLRQRAQCTGS-NJDAHSKKSA-N 430.637 4.947 30 10 IJEE COc1ccc([C@@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCN2)cc1 1302181745 BUGJQJBWIYYSAY-QHCPKHFHSA-N 447.922 4.799 30 10 IJEE C#CCN(C(=O)c1cn(CC(C)C)c2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1303655749 JWBMCDAKJOIBGI-UHFFFAOYSA-N 437.584 4.772 30 10 IJEE COC(=O)CCSc1cc(Cl)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N 1311095996 HCWCBDZIPZQSFF-ZDUSSCGKSA-N 433.917 4.930 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1311189407 PXVNCOUBPBMQKK-LBPRGKRZSA-N 436.215 4.638 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1c(C)cccc1C 1311520087 HPTCNBCKHMLLJG-UHFFFAOYSA-N 435.337 4.982 30 10 IJEE C#CCC1(NC(=O)NCc2cc(Br)ccc2Br)CCCCC1 1312527076 ASJGCADILJYFPM-UHFFFAOYSA-N 428.168 4.737 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1314054112 GIDFITQAJHIJHZ-BWAGFHJFSA-N 437.588 4.559 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ncccc1SC)c1ccc2c(c1)OCCO2 1351532963 XKDATHCKMPTRMI-UHFFFAOYSA-N 448.544 4.987 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@H]1C 1358912833 ZLULZDMXHLYLJA-PWRODBHTSA-N 443.636 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC[C@H](C)N1CCCCC1 1359066927 UYVLNXWESYERDY-YADARESESA-N 426.008 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H](C)C#N 1359090917 HMUGMEAQDUOSCS-DKOYFPBOSA-N 437.588 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CC1CC1 1359093592 PKMWSXGJLHRLMV-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1359100369 ANTMOIBDAHLNHZ-AVRDEDQJSA-N 430.980 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cc2ccccc2s1 1359108563 STVFPIQYYNJNRW-XMMPIXPASA-N 440.613 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(C)CCCO1 1359109716 LMNNMIHXHZPFEU-XMMPIXPASA-N 428.577 4.712 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359117492 CPOUAZGELMMNIC-NHCUHLMSSA-N 433.556 4.664 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359127274 MSNLEOBUULOMTQ-DNQXCXABSA-N 438.616 4.666 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)OC1CCCC1 1359129185 UINBVRDEACLYJL-UHFFFAOYSA-N 449.393 4.919 30 10 IJEE C=C(Cn1c(C2CC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 1359138783 DJQUMYNDYXATBV-UHFFFAOYSA-N 437.588 4.753 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(OC)nc2)CC1 1359159786 FIXSURUZBKGWRQ-HXUWFJFHSA-N 433.556 4.643 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC[C@@H]1C 1359196278 BDZHFEVIJJFIPQ-AZUAARDMSA-N 426.561 4.529 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1359259324 RSQSVRMVTXVXOF-LJQANCHMSA-N 439.604 4.679 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1436152938 HIWWYXTUUGMRQW-QGZVFWFLSA-N 432.351 4.808 30 10 IJEE CN(Cc1ccccc1)C1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 1449328295 GEOLCULYFKFYMQ-UHFFFAOYSA-N 431.923 4.960 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)N[C@H](C)CC)cc2)c1 1455951566 XKPIEKMQWJAWIP-HXUWFJFHSA-N 446.572 4.592 30 10 IJEE C#CCN(CC(=O)N1CC(CC)(CC)c2cc(Br)ccc21)C(=O)OC(C)(C)C 1465755182 BPTKXFHKDCMICI-UHFFFAOYSA-N 449.389 4.724 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H](C)CCc1ccc(I)cc1 1470034514 JUHGWKXPCDZJST-OAHLLOKOSA-N 428.358 4.904 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 1478313027 XIWAOEPVCBDNGC-MGPUTAFESA-N 433.321 4.509 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2ccc(C)cc21)[C@@H]1CCOc2ccc(Br)cc21 1478913677 WYFDJYFFYXPPID-NHCUHLMSSA-N 439.353 4.913 30 10 IJEE CC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CC1 1493467451 DYIOFGPMQDXNKC-RRWXTXHCSA-N 427.643 4.680 30 10 IJEE CCN(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccsc1 1501822858 FOYARZMBEMHPTA-OFNKIYASSA-N 426.634 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC(C)C)nc1 1507521073 KEZWXLCBYRMRRR-ROUUACIJSA-N 449.624 4.820 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC(C)C)CC1 1507596003 YKLKBYIZRAQZFZ-UHFFFAOYSA-N 438.616 4.962 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C1CC1 1507679861 SDEPMEDRKJIDFF-MOPGFXCFSA-N 444.023 4.631 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC12CCC(CC1)C2 1507680748 MCSMQRMFWDEBEV-UHFFFAOYSA-N 443.389 4.756 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1507784172 HFZKYYBRFWQXNR-UHFFFAOYSA-N 437.407 4.546 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C)[C@H]1C 1507793595 DXTMFXQIYZKFIO-WCLQXYBISA-N 430.980 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H](OC)C(F)(F)F 1507819848 VKNMOSSXEGDXFB-LJQANCHMSA-N 448.493 4.705 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(CC)C1 1507911315 JLJLVYOVILAHAA-HSZRJFAPSA-N 430.618 4.577 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC[C@H](O)C1 1507997663 WLQDAUIWTIGRLQ-SFTDATJTSA-N 426.605 4.619 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC(C)CC1 1508001198 LRZJFVMONBODLD-JOCHJYFZSA-N 430.600 4.653 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)c1ccccc1 1508066575 BZELSDIVEGPOOR-ICSRJNTNSA-N 425.577 4.776 30 10 IJEE C#CCN(C(=O)COc1c(C)cc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 1521819886 VTDIQNKVNMNLDT-FQEVSTJZSA-N 442.353 4.739 30 10 IJEE Cc1nc(SCC(=O)Nc2cc3c(cc2Br)CCC3)c(C#N)c(C)c1C 1524353348 FJPNCLRKLXZWEC-UHFFFAOYSA-N 430.371 4.861 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(C(C)C)c(=O)c2ccccc12 1528001430 ZPDYHJXYXYQFDN-UHFFFAOYSA-N 442.313 4.557 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C(F)(F)F)cc1 1532570256 NZWLLWJDFRMGJW-FQEVSTJZSA-N 436.451 4.845 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCCN1C(=O)OC(C)(C)C 1535282069 IERLDYYXKHDYRA-JOCHJYFZSA-N 438.490 4.936 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 1535868819 FVYCNSJGYPLXDA-UHFFFAOYSA-N 431.879 4.562 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)CCCN1C(=O)OC(C)(C)C 1537527278 JEBOERMYSVRRMH-NSYGIPOTSA-N 440.540 4.720 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](c1cccnc1)C(C)C 1538975168 YKHRCYSAFGCCIQ-IRFCIJBXSA-N 435.547 4.850 30 10 IJEE Cc1cccc([C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C(=O)OC(C)(C)C)c1 1539034667 AZIUAUPMHNYWFZ-QHCPKHFHSA-N 446.503 4.852 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](OCCC)CC1 1539097510 PIEVLEQTLJFSEI-IBGZPJMESA-N 432.515 4.745 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1539490823 ILBXOJYVJDNCNT-LEWJYISDSA-N 431.694 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCSC1(C)C 1539651158 AQCQIPRHGHVYSL-GOSISDBHSA-N 430.618 4.896 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@](C)(O)CCC)CC1 1539828864 QBGJCUOLCUYZEF-CYFREDJKSA-N 428.577 4.524 30 10 IJEE COc1ccc(CCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1OC 1539917159 BVDLLSODSVYYGZ-UHFFFAOYSA-N 432.524 4.630 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCO[C@@H](C)C1 1539944312 AHVQWKNCEAZOAR-OALUTQOASA-N 426.561 4.672 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1sccc1Br 1540128816 PTXGADMMJIXWJP-UHFFFAOYSA-N 442.386 4.777 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(C)ccc21)C(C)C 1540152530 WXGMTTHBCSNSNW-BJKOFHAPSA-N 435.616 4.831 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(Oc2ccccc2F)c1 1540168659 TUGNVKWJHHGQTJ-HXUWFJFHSA-N 449.530 4.725 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1540916028 RHSUPAGXPDRCLS-IRLDBZIGSA-N 442.629 4.832 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H]2C(C)C)c1 1542859797 AILAORMNDDYMDB-IFMALSPDSA-N 435.597 4.884 30 10 IJEE COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)[C@@H](C)C#N)c1OC 1544668909 AOQDKGKLLDRQPW-WUVIJCSQSA-N 427.504 4.723 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 1544937393 WAMPNHGKVHSGTK-UHFFFAOYSA-N 439.918 4.991 30 10 IJEE CCCC(O)(CCC)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC#N)CC1 1546926340 CCJQLPRQROJJSX-UHFFFAOYSA-N 448.615 4.742 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1562900514 GUTCTAYSYNLGNN-WFBMQCHUSA-N 434.540 4.929 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCc1cccc(Br)c1 1569740100 ROWPITVNWQWFGO-GOSISDBHSA-N 439.394 4.700 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2cc(C)ccc2Br)nnc1-c1ccco1 1584001741 LMZOZCAIXGYQFR-UHFFFAOYSA-N 448.342 4.883 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)C1 1585491186 KSHGINOYBLFOCD-HXUWFJFHSA-N 426.582 4.868 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCCc1nc(C)cs1 1587662320 MTKZOLSAQKGTLH-IBGZPJMESA-N 432.597 4.527 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1587719327 ZQIUWTXSDRMUQM-PMACEKPBSA-N 439.673 4.998 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCCC[C@@H]1C 1588288830 NCHGZLHNTIVCAU-SFHVURJKSA-N 431.987 4.852 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCCC1(F)F 1588481136 GFJQXRUNSGDHMW-HXUWFJFHSA-N 439.485 4.945 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N(C)CCc1cccs1 1589557209 HCBGLYCJYRXMFS-URXFXBBRSA-N 436.625 4.785 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1593735575 LNTOJKZUGSLWEY-HXUWFJFHSA-N 434.588 4.596 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(C(C)(C)C)CC1 1593735604 MIOMRPPONCQRSJ-UHFFFAOYSA-N 446.599 4.906 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC(=O)N2CCCCCC2)CC1 1594024544 WYODGWQLUSYRJB-HSZRJFAPSA-N 435.616 4.769 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H](OC)C(C)C)CC1 1594070759 LWVMXMOZDGIMOU-JOCHJYFZSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H](OCC)C2CCCC2)CC1 1594115865 WWQJJZHQQFSQJV-OAQYLSRUSA-N 429.634 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](CCC)C1 1594460793 CCKWDQXRJLWMAD-FQEVSTJZSA-N 434.588 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccccc3C)C2)nnc1[C@@]1(OCC)CCOC1 1594529814 YWRKMDODUBROEB-HFZDXXHNSA-N 438.616 4.835 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1594650931 DDHTXIJSVMOJFU-MAUKXSAKSA-N 442.457 4.509 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCCCC1)C1CC1 1595021336 XQPAXUHVCDZYID-UHFFFAOYSA-N 427.980 4.597 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CCc1ccncc1 1595149247 LYRHJFIFMSBCAK-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1595442515 PUMHSHAAJXVXQU-RTWAWAEBSA-N 426.605 4.980 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](OCCC)CC2)nnc1C(C)(C)C 1595665349 SENKFFOGQLOTJG-OAQYLSRUSA-N 426.605 4.974 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(C)C)C1 1595679830 CEEOIUJTECJVIM-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC[C@H](C)C2)C1 1595688386 IDMWPTXBNVFOQH-ABSDTBQOSA-N 445.405 4.925 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1595900705 HEDKZPREZVZIGG-RXVVDRJESA-N 444.670 4.802 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)s1 1598396226 DLBQQODBZGLKEP-UHFFFAOYSA-N 439.488 4.850 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](CC(C)C)NCC(F)(F)F 1611099183 SVEZNAAKJBUTCA-INIZCTEOSA-N 439.291 4.669 30 10 IJEE Cc1csc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)CC#N)n1 1612359556 AWONVIGXTHGTQK-DZJNRPSUSA-N 430.622 4.504 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)o2)cc1 1613611445 HMADCUQJQGTRCO-GOSISDBHSA-N 445.903 4.992 30 10 IJEE CCn1cc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)CC)CC2)cn1 1615676117 HSFBMZQORQCXST-UHFFFAOYSA-N 431.588 4.853 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(Cc2cccc(F)c2F)CC1 1618484275 DMHDRQGEJAFKAA-AWEZNQCLSA-N 429.536 4.668 30 10 IJEE COC[C@H](C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N 1619572408 AVRZSHXUSQHGIC-JLSDUUJJSA-N 433.984 4.709 30 10 IJEE COc1cc(Br)c(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)c(OC)c1 1620873565 HRNLHOYSNXKFLR-UHFFFAOYSA-N 447.720 4.789 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 1624050547 HSKTVVCUSDRQMT-FQEVSTJZSA-N 429.442 4.731 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(Br)c(OC(C)C)c2)cc1 1624944558 ICMXKPCMMQZYMN-UHFFFAOYSA-N 432.318 4.796 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CC)n1 1624966858 UQUCWFVYDILMCP-HNNXBMFYSA-N 446.477 4.910 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1628875738 DNRWBHHBADFHKR-XMMPIXPASA-N 444.528 4.732 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1629187135 XVRIESLQBHPSCJ-YLJYHZDGSA-N 426.561 4.519 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1629212445 XGUFHCIBQSZPSF-INIZCTEOSA-N 436.421 4.849 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 1629771029 OLTZUGUONFWTOM-HXUWFJFHSA-N 447.348 4.790 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3oc4ccc(OC)cc4c3C)n[nH]2)c1C 1632991476 UVJJPBFEYJPZFX-HNNXBMFYSA-N 433.512 4.630 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(-c3cc(C)c(C)cc3C)[nH]n2)CCCN1C(=O)OC(C)(C)C 1633457747 KTURBUFARKDWMH-RUZDIDTESA-N 436.556 4.733 30 10 IJEE COc1cccc([C@@H]2CN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CCN2)c1 1634879474 ARMWXIFHUGUCOM-QHCPKHFHSA-N 429.545 4.505 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1O 1641354127 QORQMGCKXQUZMM-OPAMFIHVSA-N 438.524 4.526 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 1643065150 XXKDKQYDADTQDF-KRWDZBQOSA-N 433.394 4.940 30 10 IJEE C#CCOCCSc1nc2ccc(Br)cc2c(=O)n1[C@H](C)c1ccccc1 1643487078 KLFISLMGKMXXRB-OAHLLOKOSA-N 443.366 4.510 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=[S@](=O)(CC)c1cccc(Cl)c1 1647901570 PUKHCJRJRUNFHW-UULLZXFKSA-N 428.982 4.963 30 10 IJEE C#CCn1ccc(CN(CC)Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)n1 1652352746 UNHPEXCIPCMALF-UHFFFAOYSA-N 443.526 4.964 30 10 IJEE C#Cc1ccc(NC(=O)CCN2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)cc1 1658850311 KTVSFTZFJZNEJB-HDICACEKSA-N 429.486 4.615 30 10 IJEE Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1 1659179778 BWODARCMERMAEW-SFHVURJKSA-N 436.581 4.673 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(C)ccc2F)c1 1661060678 LBWIUFARAVXHLZ-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE CCC(C)(C)C1CCC(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1661284339 AZDOPZDKJYLZRE-UHFFFAOYSA-N 431.371 4.733 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1OC 1662947419 TXGWHEWYRHXQCR-RTWAWAEBSA-N 434.374 4.870 30 10 IJEE C=CCCCN(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1665751872 HMKURUDFMRWVDS-UHFFFAOYSA-N 431.558 4.624 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1nc(C)c(Cc2ccc(F)cc2F)s1 1671400080 FYJTYCQGXGUXNN-UHFFFAOYSA-N 427.476 4.654 30 10 IJEE Cc1nc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)sc1-c1ccccc1 1673164881 AMPCVWYESXLAAA-UHFFFAOYSA-N 437.956 4.998 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@H](CC)c2ccc(Br)cc2)CC1)c1ccccc1 1674025369 CYYPMRMUGMAPMJ-FCHUYYIVSA-N 440.385 4.602 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 1675126197 JWATYJXNQLPWCS-HXUWFJFHSA-N 431.458 4.599 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)CC1 1675824385 MXISFDKANKYNHA-SAIGFBBZSA-N 447.579 4.784 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)CC1 1677025029 DYQKKVZYPWLYQP-QFIPXVFZSA-N 425.573 4.920 30 10 IJEE C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 1681283079 BWRSTNCBEWSCTO-LJQANCHMSA-N 425.536 4.781 30 10 IJEE C#C[C@@H](NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl)c1ccc(Cl)cc1 1683502856 WKFOLDHZWDQNOR-MRXNPFEDSA-N 426.731 4.873 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1)c1ccc(Cl)cc1F 1683688787 HOHQBAWNFZJJDZ-OXQOHEQNSA-N 437.906 4.528 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)c2cccs2)CC1 1689887011 MSGWZFCXBPSUQL-UHFFFAOYSA-N 433.581 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1C[C@@H](C)O[C@H](C)C1 1690198142 DUBBPJSTZXECEK-HOZJOUCCSA-N 442.991 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(C)C 1690257518 MBNKPNCFFJIBRX-UHFFFAOYSA-N 446.665 4.631 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1690258335 CLYQQZBCPNRCGN-NLFFAJNJSA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CC1CCN(CC(F)(F)F)CC1 1690259199 ALJKGCSKHZBHFB-UHFFFAOYSA-N 425.499 4.523 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@H](CC)C1 1690304633 JFIHRJPTLMUHNR-AZUAARDMSA-N 444.645 4.872 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1690304654 KEVPIZKLWYCLAT-LEWJYISDSA-N 425.602 4.520 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CC(C)C)C1)c1ccccc1 1690325728 GMTCZUKALBUFOE-HXUWFJFHSA-N 449.624 4.855 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cnc(C)s2)CC1 1690367658 WXDHETBARFRURX-UHFFFAOYSA-N 436.404 4.739 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCOCC(F)F)CC1 1690399148 OQKFOAWPFBTMIL-GOSISDBHSA-N 434.531 4.719 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1690445430 XNRVGJCJFIREKR-XUZZJYLKSA-N 449.643 4.894 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1CC1(OC)CCC(C)CC1 1690604633 YDFKIDIRDNTKHZ-JEPVQIMHSA-N 438.616 4.612 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C)CCC1 1692346383 CPRZYIZCNMOVTM-UHFFFAOYSA-N 433.560 4.550 30 10 IJEE CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1695172074 YOLQGLCZYXLLLI-UHFFFAOYSA-N 447.568 4.744 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OCC)C1 1705510420 PWOSUBFAWYXKOA-NQIIRXRSSA-N 430.980 4.880 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCC[C@H]1C 1705593774 IHSHVXMDVFMMEF-IFMALSPDSA-N 434.584 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1705693440 GPWMHRXZFQGQBY-WMQCIHAUSA-N 448.970 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(C)=C(Br)C1 1705699263 DXJOQOYVFLXPTP-IEBWSBKVSA-N 435.410 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)c1cccs1 1705709983 HAIJQJYDZKCJNC-GAJHUEQPSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cc2ccccc2s1 1705711081 ZTZLGGGRQXULGK-UHFFFAOYSA-N 446.580 4.785 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1705721947 LHCMBAHOCVEXFJ-HXUWFJFHSA-N 439.604 4.825 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1705783518 JYRVFSXSCPCJJI-QFIPXVFZSA-N 444.627 4.577 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2cscc2C(F)(F)F)CC1 1705783779 UMHMZGNTIDYCCK-UHFFFAOYSA-N 433.503 4.795 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(C)no2)C1)c1ccccc1 1705797477 XCKLVKVDQDRVIF-VXKWHMMOSA-N 434.588 4.912 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2c(Cl)cccc2C1)C(C)C 1705869188 OMPOLDQUGVIOQF-QFIPXVFZSA-N 428.024 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1c(CC)noc1C 1705870721 WAFCGOHEDAPACT-UHFFFAOYSA-N 428.540 4.887 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC[C@@H](C)C1 1706072010 BFWCKHBEYBNFQL-QZTJIDSGSA-N 429.012 4.705 30 10 IJEE CCC(CC)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)CC 1708718998 DFAINGSCYAZWEZ-UHFFFAOYSA-N 448.615 4.798 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2cccc(C)c2)nnc1[C@]1(OC(C)C)CCOC1 1722323453 UDTQLFDREZKBRE-OZXSUGGESA-N 436.600 4.772 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)c1nccs1 1722343490 HENOSKQGRZFGJN-KRWDZBQOSA-N 430.581 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCCCO 1722470592 VRCPWTHMHLSJAZ-MHECFPHRSA-N 426.630 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CCC1CC1 1722505930 BLYHHSZGTVQZOE-JPYJTQIMSA-N 430.543 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCSC(CC)(CC)C1 1722510915 XVIOUECRLWPDNS-AABGKKOBSA-N 434.650 4.613 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1722518615 AYVYEDNUWMDKRT-HNNXBMFYSA-N 444.377 4.828 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@@H](C)C1 1722529777 CAYYLDXFIXKUHB-LJQANCHMSA-N 428.577 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCCCCSC)CC1 1722575681 RSYWTYTXTZNXHJ-UHFFFAOYSA-N 428.602 5.000 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1722575940 CKPIFLIEGIGSFU-LJQANCHMSA-N 437.632 4.950 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722612058 OSAHMNOBHXOLLU-HOCLYGCPSA-N 437.357 4.817 30 10 IJEE Cc1cccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)n1 1724521108 DEPHSAOSDSGYMQ-LJQANCHMSA-N 440.473 4.542 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCC(C)(C)C 1730334794 AKVYTYLVTFYWTQ-QFIPXVFZSA-N 431.581 4.847 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1740574499 ZYGBQIOKGRFMEV-AVRDEDQJSA-N 438.572 4.839 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc(C(C)(C)C)cs1 1740670032 HVULYNLEJHHUGS-UHFFFAOYSA-N 428.005 4.784 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1c(C)cccc1C 1740767916 AWYMMHXXLVQWNS-VWLOTQADSA-N 426.605 4.581 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1740779414 FUMNQWXTTBMNKA-IBGZPJMESA-N 445.405 4.988 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1740793126 PVHGHASWSGOXDH-FQEVSTJZSA-N 442.579 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1740850965 SUEDOGAIGOCGRG-SFHVURJKSA-N 437.588 4.987 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1740873306 OVBSSIBFTVUDEQ-JOCHJYFZSA-N 439.991 4.853 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC2(CCCCC2)O1 1740892692 LIGUHIIKOYHKGI-MRXNPFEDSA-N 434.382 4.540 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CC)CCCC2)C1 1740985467 QJQONLFDZMZOJM-NJDAHSKKSA-N 430.637 4.948 30 10 IJEE CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1cc(COC(C)(C)C)on1 1741338870 BCSODXHXTDKIQE-UHFFFAOYSA-N 448.571 4.794 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1748708574 BRIJMMBWNRLAJQ-GOSISDBHSA-N 436.535 4.778 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(CC)o1 1749029277 PZZGXVQMXFXAJN-FQEVSTJZSA-N 436.581 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1Cl 1749134520 ZVZSYJCIEUMRGU-REWPJTCUSA-N 437.975 4.535 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CCCCC2)C1 1749241739 RYJZSBWDZVVUKK-NHCUHLMSSA-N 430.637 4.950 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](OC)C(C)C)CC1 1749293172 DOMGBSCFKPJAQJ-AWEZNQCLSA-N 425.396 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2OCCC2(C)C)CC1 1749293417 MOEAIIZKMDEFBI-OAHLLOKOSA-N 437.407 4.741 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2oc(CC)nc2C)CC1 1749311844 YLNUBEMHHZVRIH-UHFFFAOYSA-N 427.936 4.574 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1749343993 XXEKRBLNUBEFHG-QHCPKHFHSA-N 443.016 4.894 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1749407022 SOQYLJJAOSNPNG-UHFFFAOYSA-N 448.615 4.948 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1749511187 FUZWBWIUFZAWNB-UHFFFAOYSA-N 428.540 4.592 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCSC)C1CC1 1749527754 QENKJDAXCAJDNU-SFHVURJKSA-N 435.638 4.648 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N(C)C 1749541939 WXDNMVKTMHHJEP-FQEVSTJZSA-N 425.552 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1ccc(C)cc1 1749544748 MJABZVPWYFTQLW-FQEVSTJZSA-N 449.624 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC12CCC(CC1)C2 1760122219 HVWHZSUPYRXCJY-YPHUNTSASA-N 443.389 4.658 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCCC2(C)C)CC1 1760396700 IEUQVYXRRFWNMG-AVRWGWEMSA-N 442.579 4.901 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccc(F)cc1 1760411975 TUNWVXYLHCJBAY-UHFFFAOYSA-N 439.535 4.774 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760423170 SIPKMPSWLODNSL-GOSISDBHSA-N 442.585 4.804 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1760429266 WXLKSUQYNHRHRI-IBGZPJMESA-N 430.556 4.776 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CC1(SC)CCN(C)CC1)C1CC1 1760472323 FEDZVAFTSYTHAK-UHFFFAOYSA-N 432.037 4.581 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCCN1CCCCCC1=O 1760487226 MKOJFUNUMINNBG-UHFFFAOYSA-N 443.661 4.914 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)CC[C@H]1C)C(C)C 1760490556 ZRNFXFZKRADLEM-AFXVXQJMSA-N 429.653 4.843 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC(c2ccc(O)cc2)CC1 1760567569 FXSQVMVXEAIXEI-UHFFFAOYSA-N 440.638 4.939 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(CCC#N)CC1CC1 1760973681 BBDSKDKTWFJLBB-UGKGYDQZSA-N 425.552 4.665 30 10 IJEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCC1(F)F 1767290904 AGHYTCMJZWGXFB-SFHVURJKSA-N 442.539 4.778 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N(CC)CCC(=O)OCC)n2)ccn1 1857841955 CNNGSHVBOWXBTK-UHFFFAOYSA-N 445.567 4.650 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(Cl)c2)cc1 1860860204 GANDZEIZJHIQEB-HSZRJFAPSA-N 442.906 4.673 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)/C=C/c1cc(OC)ccc1OC 1861728668 GKYADDLIOUKFNF-QMPJNXRZSA-N 432.605 4.869 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497510 MAUHMXFVLPRFTJ-IBGZPJMESA-N 428.872 4.853 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862498358 GJYKWJAHMYAYAM-BFUOFWGJSA-N 434.319 4.569 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)c(O)c2)ccc1F 1862503100 PNYYCUTZEACMHL-JOCHJYFZSA-N 439.483 4.846 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(CC)cc2)cc1 1862530274 OVLHOMHTPOWFLI-DEOSSOPVSA-N 434.580 4.732 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 1862603459 ZTWLYZLUYUKKKM-XMMPIXPASA-N 443.499 4.878 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(Cl)cc(Cl)c1 1862612013 ZBJGKRVAELNGDX-LJQANCHMSA-N 446.286 4.529 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862680977 OOMMTCIGSQWQCF-BBATYDOGSA-N 433.863 4.570 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862702568 GLYSBRVPULHYPG-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863430447 YTKZULHGCTVYRY-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccncc3)C2)nc(-c2ccccc2C)n1 1869152137 KAARQLDDXNWPGJ-QHCPKHFHSA-N 427.552 4.603 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1Cc1ccccn1 1870408394 WXSFQHPTTHDIBW-UHFFFAOYSA-N 435.955 4.698 30 10 IJEE C[C@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871253613 DIANSTTUZPUJDK-IBGZPJMESA-N 445.563 4.589 30 10 IJEE Cc1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871377247 BPXHIBHKBNCDIL-WUTYQENZSA-N 428.400 4.533 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)c(OC)c1 1871384455 SGZRYWYUCPNMIL-OYKKKHCWSA-N 446.455 4.695 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)c1cccs1 1871993897 MJLQQUKSILUWAI-QFIPXVFZSA-N 440.590 4.922 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872211250 ZAHBZMKXWHLQLA-HSZRJFAPSA-N 426.582 4.749 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(F)cc1 1872570429 OANLOELAQDFPCE-QFIPXVFZSA-N 448.560 4.517 30 10 IJEE N#Cc1ccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(C3CCCC3)C2=O)cc1 1873288265 XOSCLQOZJWAANR-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccccc2Cl)C1=O 1873309663 OMSDJCKLARQFGF-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(C(=O)O)n(C)c2ccccc12 1873500269 NEFOAISNWZDOHE-AFUMVMLFSA-N 447.564 4.903 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NCCCCCO)ncnc21 1873629744 RFRGQCKPTBRYBT-UHFFFAOYSA-N 448.354 4.751 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(SCCO)n1/N=C/c1ccc(Cl)cc1 1874227747 ARCWAVSVPWRWRZ-BUVRLJJBSA-N 444.988 4.527 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc(OC)c1OC 1874248741 VJRMXILUQPRMQS-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc(OC)c1OC 1874317773 KDENUNNSHAQCQX-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874333071 GNBRVCTXFGUVBH-HUHXJTTESA-N 439.629 4.850 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCO)nnc2[C@@H](C)c2ccccc2)cc1 1874398032 RAKUXLXIFHDUCT-YSRPOPIVSA-N 438.597 4.966 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874502442 IBKWBHNKOWOFGG-YDZHTSKRSA-N 433.493 4.660 30 10 IJEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 1874528389 GSNZAHJOVQYLCZ-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2C2CCC2)ccc1OCc1cccc(Cl)c1 1874558769 XEINCCGDMYOMEH-FSJBWODESA-N 428.945 4.958 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1OC 1874569797 GWTDQQHHZUIQSJ-OEAKJJBVSA-N 446.960 4.521 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCC(=O)NCc1ccco1 1874572168 YYVJQCSSXXWOCD-BUHFOSPRSA-N 445.515 4.758 30 10 IJEE C[C@@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1)c1ccccc1 1874596992 OIHQULIZTQYUPG-FMAYLGMYSA-N 443.499 4.610 30 10 IJEE O=C(CCc1cccc(C(F)(F)F)c1)NCC#CCOc1cccc(C(F)(F)F)c1 1891052010 RDDHXZLFSZJSTJ-UHFFFAOYSA-N 429.360 4.855 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccnc1Oc1ccccc1 1891466473 CIKAHWDWZZAYNR-UHFFFAOYSA-N 426.394 4.705 30 10 IJEE FC(F)(F)[C@@H]1CCSC(=NCc2c(Br)cccc2Br)N1 1918520970 XZFCTMYGOJYKKO-JTQLQIEISA-N 432.103 4.725 30 10 IJEE O=C(N[C@@H](CCSCC#CC1CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1928616220 INNBDATXUTUBIC-QHCPKHFHSA-N 435.545 4.515 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC2 1942923889 YAICUJZIQRUVRI-WPUWVODUSA-N 447.498 4.906 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCN(CCCB2OC(C)(C)C(C)(C)O2)C1 2044524208 CEONRYJAQLISPY-PMACEKPBSA-N 436.446 4.970 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]1C1CCC1 2073795240 QHIFIYHUHXFUGZ-JTSKRJEESA-N 448.568 4.996 30 10 IJEE Cc1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1I 2079173423 RVLKMTKIGBQDRJ-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079954081 HMGWJCDXNUCXQY-GOSISDBHSA-N 433.293 4.553 30 10 IJEE CCOP(=O)(OCC)c1cn(-c2ccc(F)cc2C(F)(F)F)nc1C(F)(F)F 2080381299 PJHQPFYBEKJOJS-UHFFFAOYSA-N 434.248 4.940 30 10 IJEE Brc1csc(CN=C2N[C@H](c3cscn3)CS2)c1Br 2119012917 VXZUGBWTSJXJDF-QMMMGPOBSA-N 439.223 4.663 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)c1cc(Cl)c(Cl)s1 2157046353 WBQQGDOVAUPPPA-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174765911 RIZABLFXRLQZBR-FICVDOATSA-N 438.341 4.827 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)c(Br)c1 2181053385 KYQXBNURBSVCNK-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE Cc1cnc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2190478364 LIHCXHPMGJLORM-HYVLGVRCSA-N 448.416 4.509 30 10 IJEE C[C@H](CC1CCN(c2cc(Br)c(C#N)cc2F)CC1)NC(=O)OC(C)(C)C 2203524942 VJTCLMMFNHVBDV-CYBMUJFWSA-N 440.357 4.980 30 10 IJEE CC1([C@@H]2CSC(=Nc3ccc(Br)cc3I)N2)CC1 2223679352 ONDIVBDLIHAYMT-NSHDSACASA-N 437.144 4.546 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2235733053 SZWYBVPGFCVVRW-OALUTQOASA-N 435.406 4.957 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC(F)(F)CCNC(=O)OC(C)(C)C 2235746506 JUGFHXQHHFORSX-INIZCTEOSA-N 445.348 4.719 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)C(F)F 2235750887 ZWGCKTGJQKMRTH-CVEARBPZSA-N 445.348 4.575 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2255634723 UJZZSWXSQOPVNW-QGZVFWFLSA-N 442.796 4.721 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CCCC2)n1 2267183897 JFMHLMXGKVQOMQ-UHFFFAOYSA-N 434.389 4.522 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CCCCC3)c(O)c2)OC1(C)C 2267680443 VGMSZASBJKIDAC-UHFFFAOYSA-N 435.373 4.667 30 10 IJEE N[C@@H](C#Cc1ccccc1Br)c1ccc(Cl)c(I)c1 2268307472 SSCXHAJFKXFBQG-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE C=CC[C@@]1(COc2ncnc(C)c2Br)CCCCN1C(=O)OC(C)(C)C 2272234022 KDDURLFGIBPNLO-IBGZPJMESA-N 426.355 4.662 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Br)cc2C#N)[C@@H](C(F)(F)F)C1 2281177526 FSGQJOIJZYCBLP-UKRRQHHQSA-N 448.283 4.745 30 10 IJEE COc1ccc(NC2=CC(=NS(=O)(=O)c3ccc(C)cc3C)c3ccccc3C2=O)cc1 2293030967 SSYVZAYHYBHJKB-UHFFFAOYSA-N 446.528 4.682 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(O)C#Cc1ccc(Br)cc1 2296271566 FYFSLIIUHBACSR-XADJEIMESA-N 434.374 4.635 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C(F)(F)CCNC(=O)OC(C)(C)C 2296274375 UBSUDXBEHCIYDX-KRWDZBQOSA-N 445.348 4.719 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@@H](N)C#Cc3cccc(Br)c3)CCC[C@H]21 2296288550 IKYLAZYELWNESY-YSTOQKLRSA-N 433.390 4.554 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296301425 UORJBJPRBRHDJF-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2296306416 GYVKSRJYOCJTBE-RTBURBONSA-N 433.390 4.711 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296923869 DNLDFYXATMFMGW-LJQANCHMSA-N 449.488 4.603 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2299437741 XOINQGCCFLRSNM-DHZHZOJOSA-N 436.745 4.604 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=CC=Cc3ccccc3)n2)c1 2314479161 AKMOQIIFIMCADW-UHFFFAOYSA-N 440.594 4.952 30 10 IJEE CC1(C)OB(c2sncc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2315637065 CRXVGLUQDQCVIE-UHFFFAOYSA-N 440.418 4.665 30 10 IJEE N#CCCCCC[S@@](=N)(=O)c1cc(I)ccc1Br 2316466449 YTPIPUKQNSCMOA-GOSISDBHSA-N 441.132 4.543 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc5c(c4)OCO5)c3C)C2=O)cc1 2322775576 XCRALPSTILBTQG-UHFFFAOYSA-N 444.439 4.958 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc([N+](=O)[O-])c1OCCCO 2324518372 ZIOMRTOTENMMAV-UHFFFAOYSA-N 449.887 4.621 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325264215 ANKPLIHTYDAOQZ-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc([N+](=O)[O-])cc1 2327459998 QYUBUQKBZJGYPL-UHFFFAOYSA-N 445.451 4.594 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(N(C)C)cc1 2327460081 PLZARKDFHORPSY-UHFFFAOYSA-N 443.523 4.752 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2328075486 ZUWDJMSTDDYTAL-UHFFFAOYSA-N 442.972 4.872 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1O 2330640035 PAXFRVFKDNTMDM-UHFFFAOYSA-N 434.496 4.973 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cc(C)ccc2O)o1 2330667753 MNNCDWHYLZQNFX-UHFFFAOYSA-N 448.504 4.513 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2330974615 XFXWJGJLDPFNSO-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 2331115814 ILXLEFBBQMOARH-UHFFFAOYSA-N 430.814 4.970 30 10 IJEE Cc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c1C 2331432739 UPGRFMNNVBEKCY-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339542690 FZSFHJJACQPINF-SIJCWRCSSA-N 433.405 4.906 30 10 IJEE CC(C)(C)C#C[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366704555 OPBYGQGCIRHYSM-SNVBAGLBSA-N 426.703 4.588 30 10 IJEE C=CCn1c(=S)[nH]c2cc(C(=O)NCc3ccc(-c4csc(C)n4)cc3)ccc2c1=O 12614628 WLRSGNQJWLOFCQ-UHFFFAOYSA-N 448.573 4.607 30 10 IJEE Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(Br)c1 17099410 NQQXXAGHCNTRPD-VFNWGFHPSA-N 435.325 4.765 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)cc1Cl 21081141 CUNVKYWGISSPGS-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)c1 35515208 CXLMESNLKMBYIQ-HSZRJFAPSA-N 442.446 4.950 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCOC)cc1 39910385 IFHNAWUWLKGEHK-QFIPXVFZSA-N 433.504 4.556 30 10 IJEE C=CCc1ccc(OCCCn2c([C@@H](C)NC(=O)C3CC3)nc3ccccc32)c(OC)c1 40190545 AMQXNJAAEJPBDD-GOSISDBHSA-N 433.552 4.830 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(F)cc2)/C1=C(/O)c1ccco1 103219880 BCAHCUHTZCJDMV-LYHOESIGSA-N 438.411 4.794 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCO2 169961847 LYLUOYKVSSMKHS-QFIPXVFZSA-N 447.874 4.763 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169967039 CIHVWKDRYMEZOX-OAQYLSRUSA-N 447.560 4.917 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@@H]1c1ccncc1 170025877 ULIDDVSIHVJPRX-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCCOC)cc1 170033012 CYTWGLNHEAHTMH-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccco2)c1 170089501 FREHXQBNBUVWFV-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)c(Cl)c3)[C@@H]2c2ccco2)cc1 170092276 JAIMDARLXNRESC-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(C)o2)c1 170099699 YZRUGKRTOSJCOT-QHCPKHFHSA-N 445.471 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)c(C)c1 170171910 FVWMJNFTJSOVBT-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)cc1C 170172532 WYWNLAGEJMGXKW-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)cc1Cl 170182039 DXDYLHRXAAUMNB-GOSISDBHSA-N 447.318 4.918 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccn2)cc1C 170182612 IJAKDIIXPPBEON-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)ccc1Br 170211946 GQNMFKJQCPTOAT-LJQANCHMSA-N 441.325 4.673 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccc(C(C)C)cc1 170244387 MQDPNISZSVCVPB-QFIPXVFZSA-N 437.536 4.660 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1cccc(O)c1 170263518 DMBWZMLOWWPMJL-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1 170264442 GYSHPFKZBWCAHL-FQEVSTJZSA-N 441.911 4.884 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170266389 ITBIRZSTRPZZHM-HSZRJFAPSA-N 431.488 4.938 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2C)cc1 170273667 CMUNCSYXAPWJBJ-NFBKMPQASA-N 435.520 4.541 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170473872 MRILAKYWDATFMV-DEOSSOPVSA-N 437.536 4.993 30 10 IJEE CCOc1ccccc1/N=C1/SC[C@H](C)N1C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 253630242 PISBXOSRQKEKKG-DKEXMBFWSA-N 428.598 4.758 30 10 IJEE C=C(C)[C@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(F)c(F)c1 472187760 KPUMHGKIHBBVIE-RJYAGPCLSA-N 431.449 4.687 30 10 IJEE Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s2)cc1 503129728 DQWSQLAXSZQMID-MWTRTKDXSA-N 427.570 4.866 30 10 IJEE COc1cc(/C=N\n2c(C)nnc2SCc2ccccc2)cc(Br)c1OC 526799936 SMAUFGLQUWUELV-NHDPSOOVSA-N 447.358 4.541 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 549685137 CIVWTTYCSWOYOW-HXUWFJFHSA-N 443.473 4.821 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 580795199 JQYWOOMCHNGDCI-UHFFFAOYSA-N 447.457 4.513 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)c2c(F)cccc2Cl)cc1 585827846 JJKXVBHCRFROAZ-GTAREEKVSA-N 428.935 4.593 30 10 IJEE Cc1cc(N(CCCC#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Br 586218927 YRSXXCXOSJEONJ-UHFFFAOYSA-N 427.751 4.910 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(OC)ccc1Br 698373846 KMBBTNROMNHHEM-SFHVURJKSA-N 440.382 4.601 30 10 IJEE C#CC[C@@H](OC(=O)CCCCc1ccc(I)cc1)c1ccccn1 729797916 GPBGOSVGEFSJBJ-LJQANCHMSA-N 433.289 4.707 30 10 IJEE C#CCN(C(=O)c1sc(C(C)C)nc1C)[C@H]1CCOc2ccc(Br)cc21 733116112 ZEMUBVNGNBJJLT-INIZCTEOSA-N 433.371 4.937 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C(C)C)cc1 733198277 UMQZHLWHDVNDFV-JOCHJYFZSA-N 449.576 4.802 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1c(C)cccc1C 742212509 RXUVVOAKCROWDH-NRFANRHFSA-N 444.560 4.549 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 759238158 GYDXTKMEVKHVCQ-PWRODBHTSA-N 428.488 4.657 30 10 IJEE C#CCOc1ccccc1CN[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 772987911 MMGDSSOPYQBPAZ-AMGIVPHBSA-N 448.563 4.692 30 10 IJEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 798359537 MORFFHBGGHYJLE-WOJBJXKFSA-N 441.503 4.583 30 10 IJEE CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)Cc1cc(Cl)ccc1OCC#N 800450625 VZMWTXAWRZCBRT-UHFFFAOYSA-N 440.758 4.687 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCC[C@H]1CC(C)C 812186682 YSXDJGIRUSXYKV-NRFANRHFSA-N 425.577 4.686 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCc3nc4c(C)cccn4c3[C@@H]2CC(=O)O)c1 821244572 KDYQOSQQAUQITJ-NRFANRHFSA-N 446.551 4.695 30 10 IJEE C=CCOc1ccc(/C=C\c2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)cc1OC 856582557 RYHWEYAVMBDASM-DBBZSVRUSA-N 437.540 4.710 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sc2cccc(F)c2c1C 926040994 AWFRRAAUDAPMOD-OAHLLOKOSA-N 440.496 4.850 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2cccs2)n1)Nc1ccc(Cl)cc1Cl 1084020163 RDLQWIPGRJXDQC-UHFFFAOYSA-N 441.369 4.740 30 10 IJEE Nn1c(NN=Cc2ccc(Cl)cc2Cl)nnc1SCc1ccccc1Cl 1084223563 MPCOEFUAQUROEF-UHFFFAOYSA-N 427.748 4.690 30 10 IJEE CC(C)/N=C1/N(C(C)C)C(c2ccccc2)=C2C(=O)C(=O)O[C@@]2(c2ccccc2)N1C(C)C 1088695853 WYGBQUHHJFCULZ-IECPXTFPSA-N 445.563 4.575 30 10 IJEE C#CCCOc1ccc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1 1124656941 NTMPWVPUKQPCLD-UHFFFAOYSA-N 432.442 4.597 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC1(CC#N)CC1)c1cccc(Cl)c1Cl 1128609931 AXIGIBOSBUZJAA-INIZCTEOSA-N 426.344 4.711 30 10 IJEE CC[C@H](C#N)N(C)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1130232153 HOCYQIYTGJZVLU-GOSISDBHSA-N 437.927 4.603 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21 1130740741 WCXPYMOYOUUQCV-KRWDZBQOSA-N 447.453 4.907 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1OC 1134187184 NTMBDDAQQNBLMM-MBHVZWCOSA-N 441.499 4.612 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccc(F)cc1)CC(C)C 1136156087 LRYNMRJSJPKXKJ-LJQANCHMSA-N 426.960 4.889 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1156083391 AGQSKKRCTVZJEG-LOSJGSFVSA-N 430.548 4.634 30 10 IJEE C#CCN(C(=O)CSc1nccn1-c1cccc(OC)c1)[C@@H]1CCCc2ccccc21 1156932914 PYUWKLRBQTWFAW-HSZRJFAPSA-N 431.561 4.512 30 10 IJEE C=CCNc1ncc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)s1 1159704449 JEJJDPBIQONGOB-LJQANCHMSA-N 433.021 4.767 30 10 IJEE C#CCN(c1nc(C)cc(C(F)(F)F)n1)[C@H]1CCOc2ccc(Br)cc21 1185388151 ZUDPNENVGGMQEM-AWEZNQCLSA-N 426.236 4.530 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)cc1 1196668325 MTJNGTXVRNAUEF-SFHVURJKSA-N 438.281 4.790 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1ccc(OC(F)(F)F)cc1 1199366258 NHNVLZRHEUFWJJ-UHFFFAOYSA-N 428.248 4.692 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)NCCCN(CC)CC)c(Cl)c2)C1 1201879733 WTYUKCMVYPSYST-GOSISDBHSA-N 435.012 4.622 30 10 IJEE C=CC(C)(C)CNC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 1202377964 LSNSXOUQMKNIEK-UHFFFAOYSA-N 427.570 4.530 30 10 IJEE COC(=O)C[C@@](C)(NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)c1ccccn1 1205358918 HIMRAAOOVRHKLW-XMMPIXPASA-N 446.532 4.704 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC([C@H](O)c3ccc(OC)cc3)CC2)cc1OC 1205974460 PMUVUJPHAGJJHL-HSZRJFAPSA-N 431.960 4.868 30 10 IJEE COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c2cccnc12 1211482571 ABEGQVJZGGQFBH-KRWDZBQOSA-N 443.528 4.822 30 10 IJEE CC(C)[C@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(Cl)cc1 1211775392 DZIZCEPBEXDJNE-KRWDZBQOSA-N 441.778 4.692 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Br)cc1 1214330303 LYBGYHJSAYMFOW-KRWDZBQOSA-N 427.298 4.987 30 10 IJEE CC(C)CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@@H](C)C1=O 1214832541 HBBZZVAAEKSUOB-INIZCTEOSA-N 440.931 4.725 30 10 IJEE C=CCc1cc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc(OC)c1OC 1221553856 UYAAZLWZYBRATN-SFTDATJTSA-N 436.552 4.716 30 10 IJEE C=CCCC[C@H](NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)c1ccccc1 1246652386 JGRFOCKMGQUJQJ-PMACEKPBSA-N 432.973 4.907 30 10 IJEE C=CCN(C(=O)[C@@H](OC)[C@@H]1CCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1264263999 SVNHZUBCBVPWDF-DYVFJYSZSA-N 427.353 4.687 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](OC)c2ccccc2Br)cc1 1264802129 RXBHJGOMTPURFR-FQEVSTJZSA-N 443.341 4.590 30 10 IJEE Cc1cc(Br)cc2c1N(C(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)CCC2 1264926771 FQWPCICLVBQLPO-QGZVFWFLSA-N 442.332 4.574 30 10 IJEE C=CCC[C@@H](NC(=O)Cc1ccccc1S(=O)(=O)CC)c1ccc(C(F)(F)F)cc1 1266463805 XNJXCXNIEPGUJL-LJQANCHMSA-N 439.499 4.865 30 10 IJEE C=CCC1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)CCCC1 1272425856 IHOFDPJHLZOJKF-SFHVURJKSA-N 447.417 4.862 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C/C(C)=C/c1ccccc1 1286337794 VAIMOAWXCUTJIS-GHRIWEEISA-N 438.373 4.989 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1CCCCO1 1286360229 FDSKAALGDNTLIA-AZUAARDMSA-N 430.980 4.717 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1nc(C)cs1 1286365748 INQCIEVVPGAQLU-HUUCEWRRSA-N 425.627 4.769 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccsc1)N(C)C 1286454075 FQKRKHKFNMDMJR-NRFANRHFSA-N 439.604 4.719 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C/C=C/c1ccccc1 1286459618 DZJWIGDADKYDLZ-ZBWUASRJSA-N 446.620 4.931 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1286496999 YIUQECROXWHZSA-MOXQZVSFSA-N 442.604 4.939 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](CC)C1 1286549075 DCCPWSILJWSQIY-RFWXGWTQSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)c(OC(F)F)c1 1286574130 UMTRTNJBPNMSDB-UHFFFAOYSA-N 443.498 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286666024 BTNWZHJWHVLXBY-OAQYLSRUSA-N 442.604 4.816 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn2ccsc2n1 1286681209 KFVBMNKIJVPDRQ-UHFFFAOYSA-N 431.569 4.757 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1286777351 VWTRLKUAMHLHLH-WOJBJXKFSA-N 444.023 4.787 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)CC[C@@H]1C 1286798329 GSGUMANIIFMNDT-ROUUACIJSA-N 437.613 4.872 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1300419224 IGXJZXXBMDCTTB-IBGZPJMESA-N 441.645 4.756 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1c(C)noc1C 1300516940 VXGIVNPAQBHHDB-KRWDZBQOSA-N 447.608 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1300805473 DRZLTWSKVQUEDP-HOYKHHGWSA-N 431.625 4.504 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1300829458 DFUZOYISIFATTE-XJKSGUPXSA-N 426.362 4.945 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1300936682 HWKCFUFLDWABJZ-IBGZPJMESA-N 431.378 4.679 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1300970219 LVTNWEVSAOZUSE-WBADGQHESA-N 443.680 4.864 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1300982101 AOQGAYJZOXCLOZ-PMACEKPBSA-N 432.996 4.831 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1301002264 XZEGIRDVKAXSKZ-GOSISDBHSA-N 442.457 4.517 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)CN2CCCCC2)CC1 1301091752 MQSWKEKXKVQEAH-QFIPXVFZSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCOC2)CC1 1301105706 MJINPWXROXDAQP-HKUYNNGSSA-N 430.980 4.901 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1301176950 NKHZNIWFSUUEPY-DEOSSOPVSA-N 437.975 4.756 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(F)F)C1 1301245460 IEBLAVLQLJXCES-HNNXBMFYSA-N 440.922 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(SC)c1 1301362940 LZKDYSYLDYYFKQ-GOSISDBHSA-N 441.626 4.591 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1301368204 YYVMIPDWJDLPTD-GGAORHGYSA-N 436.648 4.911 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@@H](C)C1 1301403498 ZLGOOOPENGKBGX-XWGVYQGASA-N 438.616 4.960 30 10 IJEE C=CCSc1ccccc1NC(=O)COc1cc(Br)cc(C(=O)OC)c1 1307322901 FWFDIYHVTMOJLX-UHFFFAOYSA-N 436.327 4.531 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCN(c3ccncc3)CC2)cc1F 1310362307 BAZAFRUZLRWFTQ-UHFFFAOYSA-N 431.471 4.675 30 10 IJEE CCCSc1nsc(NC(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)n1 1310401313 ABKMDERLQRGXQP-UHFFFAOYSA-N 427.559 4.694 30 10 IJEE CN(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccco1 1314646892 GADCOTSBBYUGJJ-XXBNENTESA-N 438.963 4.624 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(Cl)c2)nc1O 1349711478 CCKYKQRLTAMOQR-UHFFFAOYSA-N 430.813 4.908 30 10 IJEE C=CC1(CC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1354700222 YDUDHGQKMFPGSL-HSZRJFAPSA-N 429.557 4.961 30 10 IJEE C=CCc1cc(CNC(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)cc(OC)c1OC 1356305552 VMYGODJALXPCIE-UHFFFAOYSA-N 435.442 4.679 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 1357770747 JMBGVFHHWCEFLW-UHFFFAOYSA-N 425.866 4.568 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC1=CCCCC1 1358884992 AQWARODVHODGAN-IBGZPJMESA-N 444.583 4.584 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(F)(F)F)c1 1359070206 HVHGFFSJDRRBEL-SIKLNZKXSA-N 448.489 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1359109871 SDCQNNPYCOXJIU-NHCUHLMSSA-N 425.621 4.724 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1359154935 HKCUDLMRPJDXNG-SFTDATJTSA-N 445.007 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359184796 AHJCSSYWKSHRNR-XMSQKQJNSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCCN(CC(F)(F)F)CC1 1359190451 QDKAYFDCRFAJRU-UHFFFAOYSA-N 441.567 4.607 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(COC(C)(C)C)c1 1359235329 VZJAQDWXOMDTLS-UHFFFAOYSA-N 425.964 4.979 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H]1CCO[C@@H](C)C1)C1CC1 1359247834 QUROQNCZNKSCOR-IRXDYDNUSA-N 432.515 4.907 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C 1359261309 DEVUGPKTNDOIOM-UHFFFAOYSA-N 444.564 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCc1scnc1C 1359264430 FUKUXSAWBHPVAZ-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1359276939 WWRAHOUTGYSGEQ-YADHBBJMSA-N 433.600 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359277116 CEPKTMPDIZCTTJ-NHCUHLMSSA-N 427.637 4.815 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@H]2CCOC2)CC1 1359339437 FQROJYCOZNYUID-SFHVURJKSA-N 433.021 4.771 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CC(F)(F)C2)cc1 1359497823 FGAYSCSNISKOEF-JOCHJYFZSA-N 447.505 4.642 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)c1 1361172663 DMYJUIGMMAQOKE-UHFFFAOYSA-N 426.451 4.846 30 10 IJEE CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1435997030 GLYNCBCYHNULRR-QFIPXVFZSA-N 429.476 4.646 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 1456314626 KZUDHFBJLSTMGS-JQYIIUTOSA-N 446.591 4.827 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 1459209840 HQNUMMAAKQSVCH-UHFFFAOYSA-N 438.940 4.850 30 10 IJEE Cc1cc(CC(C)(C)NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1Br 1463798033 BNAVAIRCBQWPBN-UHFFFAOYSA-N 441.778 4.582 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCc3ccc(Oc4ccccc4)cc3)CC2)c1 1468501736 FHKUKSALVAXGLE-UHFFFAOYSA-N 440.547 4.814 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 1468867633 ODUSYTNIBANPSZ-UHFFFAOYSA-N 429.629 4.967 30 10 IJEE C=C1CCC(CNC(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(S)nc3c2)CC1 1471755500 PNBQGCNAXAZRCX-UHFFFAOYSA-N 433.577 4.767 30 10 IJEE C=CCN(CCC1CN(C(=O)OC(C)(C)C)C1)Cc1cc(Br)ccc1F 1473141878 YQHZRFGBGBDNEN-UHFFFAOYSA-N 427.358 4.833 30 10 IJEE C#CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 1473826959 YACWSEIWKOTBHU-LJQANCHMSA-N 430.451 4.760 30 10 IJEE N#Cc1ccccc1COc1cccc(CNc2cc(F)c(N3CCOCC3)cc2F)c1 1474142162 BYDJOFLANSQELQ-UHFFFAOYSA-N 435.474 4.864 30 10 IJEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1504479829 BICQXVIZBMIXCT-GUDVDZBRSA-N 433.478 4.726 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C(C)C)C(C)C 1507524824 XKKDWSISNDGYQA-RTBURBONSA-N 427.662 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507538034 ZKCRORWKJOOJHW-ACRUOGEOSA-N 442.051 4.738 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C(C)(C)C1 1507591120 JKISQUJJAHCDON-PMACEKPBSA-N 443.636 4.678 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC2(CCOCC2)C1 1507594511 FQDGHDKCBGPTNM-UHFFFAOYSA-N 449.382 4.584 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(-c2ccsc2)nc1 1507618032 DVYYZJHEOQFDMS-UHFFFAOYSA-N 449.967 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1ccccc1Cl 1507769941 DMTAMMNXBHNRGG-DNQXCXABSA-N 426.992 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507922640 DEFPYNRTFMBLLH-JOCHJYFZSA-N 433.604 4.521 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](OCC)C1 1507941173 CLVIRELBBBVHTM-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1507943249 BSWNBXRTUAAGDW-QGZVFWFLSA-N 440.979 4.691 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@H]1C 1508000686 YOBPBSNDJMTYCN-NFBKMPQASA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)C1CCCCC1 1508001577 VOJWBILZWNMACY-ZEQKJWHPSA-N 449.599 4.525 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCSC1 1508009201 YKYZRZIEFZHCHX-IBGZPJMESA-N 425.627 4.661 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1508111650 HORUBZNUNBXIFO-BHIFYINESA-N 438.616 4.956 30 10 IJEE CC[C@@H](C)N(CCc1ccccc1F)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1526150723 CTOHGWMLZFTGQF-VQIMIIECSA-N 441.934 4.573 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC(C)(C)CC#N)c1cccc(Cl)c1Cl 1527971612 DKDGFDYOGFMSPC-MRXNPFEDSA-N 428.360 4.957 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 1528714529 PQAXBAHMOGDPQM-JOCHJYFZSA-N 425.594 4.694 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc1 1531316302 JIVKPGIGBYIBJV-NRFANRHFSA-N 434.536 4.575 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nc3cc(OC)ccc3n2Cc2ccccc2)cc1 1531678363 GYBZNFIMDHYUTH-UHFFFAOYSA-N 425.488 4.748 30 10 IJEE C=CCC[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 1536399557 VOBXOCVCZIKHPO-LJQANCHMSA-N 430.426 4.515 30 10 IJEE C#CCC1(C(=O)Nc2cccc(Br)c2I)CCCCC1 1537602221 OGORAUHHAHFJFY-UHFFFAOYSA-N 446.126 4.966 30 10 IJEE C=CCN(C(=O)c1ccc(OC(F)(F)Cl)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618677 NMKVVJLPAKTUDA-IBGZPJMESA-N 437.870 4.657 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](CCOC)C1 1539095266 BABWSJXNKFFIFE-QFIPXVFZSA-N 431.584 4.629 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1OC 1539102689 YVMXDTHIFSBPKH-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 1539192826 XWWYXYGUNVBKEC-RRPNLBNLSA-N 426.560 4.578 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1Cc1ccsc1Br 1539372387 XWAROWIUVVBQEO-UHFFFAOYSA-N 429.387 4.509 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@@H](F)C1 1539382242 BKTIXDTUVLMLFJ-GDBMZVCRSA-N 425.335 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCOCC(=C)C 1539546666 JGFIFDVOGSVZEX-JOCHJYFZSA-N 443.389 4.601 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CC(O)(CCC)CCC 1539552178 JNZWYPFTSJQLCN-RUZDIDTESA-N 447.583 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539617563 XGNHAVSIAWOWAO-VXNXHJTFSA-N 433.600 4.713 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCSC1 1539758288 FYNCXFZSIQYHMI-HXUWFJFHSA-N 444.645 4.689 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)SC)CC1 1539848286 SFPGDRCENWRDMA-SFHVURJKSA-N 449.665 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1539906827 UAYXGNOEFZVGGW-MJGOQNOKSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1539909982 RUEDIHVUIKYHRZ-GAJHUEQPSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539911064 VKJGEGAXHCLECH-NRFANRHFSA-N 429.572 4.666 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)[C@H](C)C1)c1ccccc1 1539947509 KJQFISLPLJIGKJ-YOSAUDMPSA-N 432.616 4.982 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1539981726 JEGRQWBKNKSFHR-SFHVURJKSA-N 426.540 4.510 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@](C)(OC)C1 1539989356 VFXVQCUOZHFCCS-OAQYLSRUSA-N 433.394 4.988 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C2CCCC2)CC1 1540020585 JMZKORBZYYYEPH-UHFFFAOYSA-N 441.645 4.610 30 10 IJEE C=CCN(C)c1nnc(CCc2ccccc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1540084001 JZKOVVNYRXEVGP-UHFFFAOYSA-N 441.366 4.688 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1cccnc1OC 1540127438 DSNQJIMPBSIFSS-UHFFFAOYSA-N 442.567 4.527 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1540855384 QAFYKJHQBABZSC-SFHVURJKSA-N 441.645 4.594 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCS1 1541983456 HHKKQSWOWFATEZ-HOIFWPIMSA-N 429.565 4.583 30 10 IJEE C=CCC1(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)CCCC1 1544642433 IOTGJAACKRKDPG-UHFFFAOYSA-N 434.580 4.953 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@H](F)C1 1555555422 CJKLQYUFXDZKFZ-SCTDSRPQSA-N 445.608 4.636 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1557661105 HDAQQJTXFFWGOZ-IBVKSMDESA-N 444.575 4.812 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CC[C@@H](C3)C2)c1 1557672478 SBCGCUGCXUHTLT-ROUUACIJSA-N 444.984 4.593 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnc3ccccc3c2Br)cc1 1563250493 QZZKCOHMMUYVDK-UHFFFAOYSA-N 440.301 4.949 30 10 IJEE C#CCN(C(=O)Nc1cnn(C2CCCC2)c1)[C@H]1CCOc2ccc(Br)cc21 1563279283 QLQOTOTXVDXDEB-IBGZPJMESA-N 443.345 4.752 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)c1cc(C)n(-c2ccccc2Br)n1 1565798701 FRYISAIYINQOPK-UHFFFAOYSA-N 438.329 4.889 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Br)cc1 1569673460 IOGBIWIEJOPKFZ-MOPGFXCFSA-N 443.341 4.506 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)C1 1570661910 LWJNRLSBEMZYDN-CQSZACIVSA-N 431.319 4.827 30 10 IJEE Cn1c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)nc2cc(Cl)c(Cl)cc21 1583688255 CPPOEPBEHNMBLY-UHFFFAOYSA-N 444.322 4.546 30 10 IJEE CSc1nc(C)c(CCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c(C)n1 1585624662 HWFGRBDQLRLKHF-CYBMUJFWSA-N 436.503 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ncc(CC)s1 1587592574 DOEHASPPGIGFHZ-ZDUSSCGKSA-N 434.396 4.971 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)c1nc(C)cs1 1588266141 MAPGMUYVXZFPKL-NVXWUHKLSA-N 427.549 4.585 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1588445319 KMZQYUJSBGRXLB-XMMPIXPASA-N 431.584 4.768 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC=C)Cc1cccs1 1589125652 NCYFBYHGXMBNCX-WOJBJXKFSA-N 444.670 4.817 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1589404073 GSNQVKLOMJNAFU-RTBURBONSA-N 447.377 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2ccccc2)C1 1589544148 FLGZAJWSUVHHFP-SEIBCYHCSA-N 438.616 4.600 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1593704031 QGKRIFAKQNVJAA-PMACEKPBSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1594646358 WMBQWAPGPORSFJ-SJLPKXTDSA-N 432.494 4.508 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1csc(Br)c1 1594661120 QICFFNULWIANBS-OAHLLOKOSA-N 425.396 4.946 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)c1ccsc1)C1CC1 1595038564 YJYOWKSVZQIOFC-JOCHJYFZSA-N 444.988 4.731 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCc1csc(CC)n1 1595108836 MISVXZCHAABUOM-UHFFFAOYSA-N 430.581 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCOc1cccc(C)c1 1595157234 ZDGVCCXVZJXPGL-UHFFFAOYSA-N 431.565 4.982 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OCC 1596777552 FDBGKODEKZGTTH-CYBMUJFWSA-N 433.744 4.921 30 10 IJEE COc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ncc1Br 1611116179 FFQBSMULONUWIF-UHFFFAOYSA-N 442.244 4.908 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)CC(C)(C)C1 1612916640 DAYHBECGROPSPW-SIKLNZKXSA-N 434.632 4.810 30 10 IJEE C=CCn1c(SCC(=O)NC(C)C)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1613171736 RYABTVYIBVMAMG-INIZCTEOSA-N 432.659 4.960 30 10 IJEE C#Cc1ccc(NC(=O)CCN2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)cc1 1615576873 CHTZTMKQQUCXEP-JWQCQUIFSA-N 447.579 4.508 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCCc2ccccc2)nc1 1617289724 XJCJSRJKSGJMPB-IBGZPJMESA-N 445.947 4.678 30 10 IJEE CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1=O 1618313185 IADAWETXIVVUCL-PYTYSOFPSA-N 429.564 4.851 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cn(-c3ccccc3)nc2C(C)(C)C)cc1 1621062727 IWERCHQAVVZFIG-UHFFFAOYSA-N 438.597 4.588 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 1622800907 AACMOGIWYJNPEC-UHFFFAOYSA-N 444.398 4.819 30 10 IJEE O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(C(F)(F)F)c(O)n1 1625030358 QXOGTNJEJRZEEP-LLVKDONJSA-N 432.242 4.858 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)cc1 1625680976 HMOBOBOCRIHRSF-QFIPXVFZSA-N 445.607 4.783 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccc1 1627430432 VOQHHIJXXLBQIE-HKBQPEDESA-N 434.496 4.655 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2sc(C(=O)OC)cc2c1)c1ccc(Br)cc1 1627985915 YXBDVAIBGCRHME-INIZCTEOSA-N 443.322 4.946 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)c1ccccc1 1631090330 HHHNTRABXNWESK-QFIPXVFZSA-N 440.590 4.664 30 10 IJEE C=CCCN(C)C(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 1633129390 PALIGOSLHXTBQI-UHFFFAOYSA-N 447.560 4.830 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1)[C@@H]1CCCO1 1634470707 XXWWXDIIJUZOEA-UNMCSNQZSA-N 428.529 4.662 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C 1641215335 GFIRJHJHUJBZCJ-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C#Cc1ccc(C(=O)N2CCN(c3ccc(Sc4ccc(C)cc4C)cc3)CC2)cn1 1645257028 WRQZVYJGFNYZDR-UHFFFAOYSA-N 427.573 4.793 30 10 IJEE C#CCN(CC(=O)NC1(c2ccc(Br)cc2)CCCCC1)C(=O)OC(C)(C)C 1645347175 KERYSAXSKXCEIJ-UHFFFAOYSA-N 449.389 4.595 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 1650797575 YIVIULNPRKOOOI-HXUWFJFHSA-N 433.335 4.789 30 10 IJEE C=CCn1c(SCN(C)C(=O)OCC(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651539060 AIUIGFFQVOUMPX-AWEZNQCLSA-N 435.615 4.543 30 10 IJEE C=CCn1c(SCc2c(OC)cccc2C(=O)OC)nnc1-c1ccc(Cl)cc1 1651594075 PJZZDVUPGHXMLM-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE Cc1c(C#N)c(NC(=O)CSCc2nc3ccccc3[nH]2)n(-c2ccc(F)cc2)c1C 1652030022 GCQCBBHWDVYZOP-UHFFFAOYSA-N 433.512 4.853 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)[C@H](CO)c3ccccc3)c2C#N)C1 1652437295 CWCCWDACIAATIG-GHTZIAJQSA-N 439.625 4.765 30 10 IJEE Cc1nc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2cc(-c3ccccc3)sc2n1 1655359545 HWCKYFPVHIZBOV-AEFFLSMTSA-N 435.553 4.838 30 10 IJEE C#CCN(Cc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CCOc2ccc(Br)cc21 1657513484 JFWXHZRAJHAYQT-IRLDBZIGSA-N 442.353 4.576 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](CO)CC3CCCC3)cc2F)c1 1658936754 BYQDFPWEQXTYHI-FQEVSTJZSA-N 425.504 4.587 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1659800706 VEEXWLGMHXTJCD-UHFFFAOYSA-N 447.645 4.849 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc(C)c2F)c1 1660401162 SRSYMERGOJSCEY-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE COc1ccccc1[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1Cl 1662385115 BJTTYPUMSSBCCC-OAQYLSRUSA-N 447.343 4.942 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC 1662573875 PDLPPBGWBNTFRM-AUUYWEPGSA-N 447.329 4.686 30 10 IJEE Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Br 1663054325 CABGZLVWBVOZPL-GOSISDBHSA-N 439.762 4.808 30 10 IJEE CCc1cc(Br)ccc1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1667817851 BQMHBYNUUWVAIZ-UHFFFAOYSA-N 441.373 4.669 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c1 1669079133 GBWRNTMBWZKAAS-UHFFFAOYSA-N 437.849 4.725 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]1[C@@H](O)c1ccccc1 1670845790 UKUUWQMQLUJLLZ-ICSRJNTNSA-N 431.330 4.744 30 10 IJEE C#CCC1(NC(=O)Nc2nc3ccc(I)cc3s2)CCCCC1 1671024787 YTTIDNXZQZOZJB-UHFFFAOYSA-N 439.322 4.749 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1671793601 LVZGBHBZRITSHI-DNQXCXABSA-N 446.934 4.841 30 10 IJEE CCN(CC1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1)C(=O)OC(C)(C)C 1673743665 GAUZXDLPPLNYSK-QFIPXVFZSA-N 440.588 4.614 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1674724961 QCMFGHPSPPGYHC-LJQANCHMSA-N 426.314 4.721 30 10 IJEE C=CC(C)(C)CCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1675393542 KFNOLAIOOUVAEZ-APWZRJJASA-N 425.976 4.533 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 1685955542 HKKXVSDBPSASJH-NDXORKPFSA-N 434.342 4.799 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1689920730 IMIVYWJXWXNZRL-GBXCKJPGSA-N 436.600 4.787 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(C(F)(F)F)c1 1690067243 WMAYXWATGQMNNP-UHFFFAOYSA-N 449.864 4.529 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H]1CCSC1(C)C 1690214540 NQEBOFRYGLAWAG-GAJHUEQPSA-N 428.577 4.520 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2nc(C)cs2)CC1 1690369592 QMKZUMXDYKZWBS-UHFFFAOYSA-N 439.585 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@]1(OCC)CCOC1 1690439494 HFZFCSYDBWVWQU-XXBNENTESA-N 430.618 4.936 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC=CO1 1690446867 HFDSSLMDTFVUGT-KRWDZBQOSA-N 434.382 4.911 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690451403 FXJGDORSTQLSEF-PKTZIBPZSA-N 435.616 4.768 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1c(C)nn(C)c1C)C1CC1 1690550526 YDLKJDBHYDZJND-UHFFFAOYSA-N 448.615 4.708 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCC(F)(F)C1 1690613339 DGSAYZPQHCWKNJ-MRXNPFEDSA-N 439.938 4.848 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1690748748 GXFDMTWTDCAUPV-HXUWFJFHSA-N 442.658 4.504 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCO[C@H]1CCCC[C@H]1C 1705573863 PAMBQTBHJQPZSL-NHTMILBNSA-N 448.611 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)CC=C 1705590070 AOOANOUPQXWUKJ-UHFFFAOYSA-N 425.374 4.773 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1705655460 MMELDOWQUCTOLR-ZHRRBRCNSA-N 432.540 4.682 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)CCSCC 1705683348 DZWVSDXHTAYQBN-OAHLLOKOSA-N 439.423 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(F)(F)CC1 1705708333 AZYZJXODEBVPOP-KNQAVFIVSA-N 446.542 4.691 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)=C(C)C1 1705731252 UPVPEHBYSPABHI-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1705765231 DIUGFQPXTMWTHS-WOJBJXKFSA-N 440.588 4.712 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCCN2CCCCC2)CC1 1705769992 MEGAPNWYFUWQAK-UHFFFAOYSA-N 443.586 4.960 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccc(F)c2F)CC1 1705772645 XCZLOPFROWACHY-WIYYLYMNSA-N 430.543 4.874 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1705796204 BABOROANRMRGJS-LADGPHEKSA-N 437.632 4.846 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705801032 QQVYMRKVMAYRHQ-AZUAARDMSA-N 444.645 4.872 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1705820858 BNVIZHMWQSNJEF-QGZVFWFLSA-N 436.510 4.958 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1705822134 UNOZUZZEDKMYPF-QFIPXVFZSA-N 434.588 4.521 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1705893639 CSPGHKSAAWMEQA-KURKYZTESA-N 435.638 4.647 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2ccsc2)C1 1705929387 PROJFXZNXNVUOR-NRFANRHFSA-N 438.597 4.559 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1c(C)coc1C 1722420721 IJGVVVNCZGLNGX-UHFFFAOYSA-N 429.499 4.686 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCc1cccs1 1722509202 MEVKKEWNAWXBFY-ZJSXRUAMSA-N 436.625 4.899 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1722524795 RDNFTAUAJFQHTN-JOCHJYFZSA-N 437.632 4.930 30 10 IJEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1722536373 VFOCWPJIZYUTHF-SANMLTNESA-N 436.600 4.819 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCCO2)CC1 1722576016 GYDULYHIXCDDJP-LJQANCHMSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1722576503 JTJPTLYAUXCFGQ-UHFFFAOYSA-N 437.588 4.747 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722612834 LKQHZRHDTCITRL-SFHVURJKSA-N 430.980 4.587 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CCNC(=O)C1CC1 1722665143 GYTUQSMBXKIGQI-UHFFFAOYSA-N 441.988 4.518 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1722666395 GFQKOQWIUREULO-KNQAVFIVSA-N 441.595 4.856 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(Cc2ccco2)C(C)C)cc1 1722706734 XNLKOQFJHSXNJX-UHFFFAOYSA-N 431.540 4.905 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](C)OC)C1 1722711583 VHLSPGJXLQWQET-CMKODMSKSA-N 448.995 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(OC(C)(C)C)nc1 1740545422 MUSXLDJRJQBGBZ-SFHVURJKSA-N 440.551 4.572 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CC(C)C)C1 1740708946 GRQLIZNHCQCGSP-MOPGFXCFSA-N 430.593 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CC=CCC1 1740753487 KQEXCDWYMKBZLO-VCOUNFBDSA-N 437.544 4.627 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740780077 TXYZZWPKWVGHAE-ZWKOTPCHSA-N 445.405 4.927 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(C)C)CC1 1740804454 ZYPXUGRFYOQNFW-UHFFFAOYSA-N 439.007 4.636 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740845358 MKOGYCWKDYFNDL-SFHVURJKSA-N 443.592 4.942 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1740854500 HCYZFOATEFTKSR-GOTSBHOMSA-N 434.588 4.640 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(Br)n1 1740857904 YLFJKMLIAQUFTB-KRWDZBQOSA-N 448.409 4.561 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](COC)C1 1740869588 RYTBDJOEJVDMBH-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1740881103 XHZTWMABAIVIGO-BXXSPATCSA-N 433.600 4.906 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCN(CC(C)C)C1 1740897622 OSZCPZYDSHARTL-HXUWFJFHSA-N 434.588 4.590 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(F)(F)F)C1 1740972091 CPYXLKOQNVCDPL-IBGZPJMESA-N 434.506 4.872 30 10 IJEE Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1742055310 CTMOSNYPWJJEIR-UHFFFAOYSA-N 448.640 4.678 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](C)CN2CCCCC2)cc1 1742292473 FLQNGAUPAKIYMB-LEWJYISDSA-N 440.661 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1748649208 LGCDAOPPDNYGQG-ABSDTBQOSA-N 432.515 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCC 1749136707 QRPMGEWDHWLZMA-CVDCTZTESA-N 426.605 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCCC[C@H]1C 1749149046 OXKQNMOFHMPTBY-HXUWFJFHSA-N 439.604 4.731 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](CC(C)C)C1 1749252516 DBPCVYQQZNTXOT-AWEZNQCLSA-N 426.790 4.671 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC(F)(F)CO2)CC1 1749329549 OUPMHQIUTPJMGL-QUCCMNQESA-N 446.542 4.862 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCC1(C)C 1749482192 CYNHZFLYGMWXAD-GOSISDBHSA-N 434.588 4.684 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1Cc1ccc(CC)s1 1749530193 UUKFPLHJSBJAIG-IBGZPJMESA-N 438.597 4.655 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(F)(F)F 1749585259 ZFBQRLHCWKJYFS-LJQANCHMSA-N 436.522 4.996 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSC(F)(F)F)CCS1 1750675885 HERZZKVTMPJAIU-INIZCTEOSA-N 441.548 4.648 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccsc1Br 1760164305 PMKKAQADWSBUAM-UHFFFAOYSA-N 441.398 4.690 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CCC)CCC1 1760212132 SYYXETGZEVSDPK-UHFFFAOYSA-N 426.511 4.980 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCc2ccccn2)cc1 1760337143 DNHJEFCXKZJAEM-DEOSSOPVSA-N 447.583 4.944 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1760382824 ZBYLFHHJKUEEMY-NHCUHLMSSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCOC2)C1 1760406619 IJUXKAZYLWQCFV-MHECFPHRSA-N 428.552 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C)CC1 1760411896 RWBCAFQUHJGORQ-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1760412092 HZRCGSMGAISUAW-HSZRJFAPSA-N 448.615 4.710 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1CC(=C)Br)C1CC1 1760475385 FLKZFCJLPAQACU-UHFFFAOYSA-N 435.391 4.642 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)CC(C)(C)C2)cc1 1760531494 QRWUFXHQOZDKFK-LJQANCHMSA-N 448.615 4.625 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2ccccc2Cl)N(C)C)C1 1760534751 FWIZPXKVZXMMPF-UEXGIBASSA-N 432.012 4.529 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2occc2C)C1 1760536140 DCTKOPYSMHYVRK-NHCUHLMSSA-N 436.556 4.766 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(N2CCCCC2)c1 1763807904 BAKIWLIOFOFLJH-FQEVSTJZSA-N 443.599 4.875 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1OC 1862416036 JVHXAKHGSJMLFM-NRFANRHFSA-N 445.462 4.606 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862431153 ASFNDMGYGLSMHS-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(OC)c1 1862435323 SWOHUVBAEHPKML-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862446776 AOUDNYUEONBARL-IBGZPJMESA-N 427.884 4.663 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862477001 RFWLJTCGEYGCCJ-WAIKUNEKSA-N 429.472 4.746 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOCC)cc1 1862479309 DAJZSHVDZNLRPD-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)c(O)c2)c1 1862489371 VEFYBRFVZZLLCW-OAQYLSRUSA-N 435.501 4.555 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(O)c1 1862507004 CTPAKCLDULAVEF-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862531500 OTTUCPNLDMEDEW-HSZRJFAPSA-N 435.520 4.874 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 1862531835 CVKRJVXZELTTGI-XMMPIXPASA-N 445.490 4.915 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC 1862573395 BGRYKWBAHVVUEN-QFIPXVFZSA-N 435.520 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccc(O)cc1)c1cccc(O)c1 1862589322 IZAGBIFNRODUCT-NRFANRHFSA-N 435.863 4.530 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CC(C)C)c1 1862756678 PWHVKYNCGANOMB-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863130281 FTTHNHJYXJQBKZ-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(Cc2cccs2)C1=O 1863665308 LUXJYZKJWUJPLX-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccccc2OC)C1=O 1863765944 FEDLTOXEXIPLNX-UHFFFAOYSA-N 444.616 4.668 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cccs1 1864480102 SHOXMOIRUAZIOW-IBGZPJMESA-N 430.618 4.742 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2cccc(Cl)c2C)cc1=O 1870838732 QZOGVCSNZZQYLN-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(CCc1nc3ccccc3[nH]1)CO2 1871349359 PXLAZKDNCDFALW-MTJSOVHGSA-N 443.528 4.944 30 10 IJEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871371436 PRYCJZRSNDPYRU-HAHDFKILSA-N 445.427 4.976 30 10 IJEE COc1cccc(/C=C2\Oc3c(CN4CCc5ccccc5C4)c(O)cc(C)c3C2=O)c1 1871394824 SPXJYDXDFBEBND-OYKKKHCWSA-N 427.500 4.884 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871442961 HOPAEESSRWBWQP-GRSHGNNSSA-N 427.428 4.968 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871798715 AUURRPRGZCIRNB-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871808486 KSFQHVIWSRILEK-KUHUBIRLSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)c(C)cc1OC 1872149782 GXSHFFGMUHUSSR-GAJHUEQPSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)c1ccccc1 1872161237 CWNIEPLIWOLXAC-HXUWFJFHSA-N 444.597 4.850 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872373190 ZLBCEDUTGYXHKM-QAPCUYQASA-N 434.524 4.677 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872492754 CYDPEXAPAJCFGW-WMZHIEFXSA-N 428.598 4.788 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1872605568 YZOAJGLGTFWNRI-LJQANCHMSA-N 437.433 4.917 30 10 IJEE C=CCn1c(C(=O)NCCc2ccc(C)cc2)cc2c(N(CCC)CCCC)ncnc21 1873594025 KFCYDBSKRLPQNY-UHFFFAOYSA-N 433.600 4.915 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641731 JSOWJIFNGMZANY-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(OC)cc1 1874221229 AIHXUWRGPURCLQ-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874277553 WSKFVFGTMNZGIK-WORIPGKHSA-N 443.617 4.566 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(OC)c(O)c2)CC1 1874286588 ORSYEXDAFYHXRA-LFVJCYFKSA-N 446.617 4.813 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(O)c(OC)c1 1874327513 RCCGDJVRDUQJHN-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874327798 HIRJUTSBUBQGFM-LPYMAVHISA-N 425.514 4.766 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Br)cc1 1874351901 JXIFVYVXCMIYHB-HYARGMPZSA-N 443.370 4.800 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2cccc(F)c2)c(O)c1 1874411675 GVYIPMXKJUTNKE-FSJBWODESA-N 440.525 4.655 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)cc1 1874427147 SSDLZMCFXYAUMJ-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(F)cc1F 1874439833 VKBYNWJYTHMEKX-DHRITJCHSA-N 449.571 4.568 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874473443 FCLBCINQZAAJFC-ZMOGYAJESA-N 439.972 4.787 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(OC)cc1OC 1874477803 IHYMUJGCPZSACC-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874526627 XXGXEHMCEJYDGT-SSDVNMTOSA-N 440.400 4.571 30 10 IJEE CCOc1ccc(CCc2nnc(S)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1OC 1874569003 BWHMYVIMKIDBDP-PCLIKHOPSA-N 438.597 4.939 30 10 IJEE O=C(COc1ccccc1/C=C/C(=O)c1ccc(Br)cc1)NCc1ccco1 1874574546 RYUAVSSTCGDMIE-FMIVXFBMSA-N 440.293 4.633 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OCC(N)=O 1874626009 HUGMNWOKCXQWGI-VQHVLOKHSA-N 445.943 4.805 30 10 IJEE C=CCC1(NCc2cc(Br)ccc2O)CCN(C(=O)OC(C)(C)C)CC1 1924541712 CEOGFPASHBKIHB-UHFFFAOYSA-N 425.367 4.590 30 10 IJEE C#Cc1ccccc1CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951600614 OMVHQOXBCNTMTE-RUZDIDTESA-N 425.484 4.592 30 10 IJEE Fc1ccc(C(F)(F)F)cc1Cn1ncc(I)c1C(F)(F)F 2079124432 JFBBTVMOQMDXDT-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cc(OC)ccc1NC(=O)OC(C)(C)C 2124459613 LCXJVQOFRJKEJG-UHFFFAOYSA-N 425.323 4.579 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3cccc(OCc4ccccc4)c3)c2)OC1(C)C 2134986248 JCZBOWQYEVNBIZ-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1cc(Br)ccc1C#N 2181053852 PXHNCYQBGWIPOI-AWEZNQCLSA-N 438.366 4.980 30 10 IJEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(Oc1cc(Br)cnc1C#N)C2 2198816323 WCQPMZXONYXXHK-UHFFFAOYSA-N 436.350 4.711 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(COc3cc(Br)cnc3C#N)cc2C1 2198826207 FFLIFUVQXVJWKH-UHFFFAOYSA-N 430.302 4.545 30 10 IJEE Cc1sc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)c(C)c1Br 2234514908 UDWVRRVSLDVWMU-UHFFFAOYSA-N 440.212 4.921 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@H](N)C#Cc2ccccc2Br)C12CCC2 2235733355 UCKRSAQUEUTVKM-YQVWRLOYSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@H](N)C#Cc2ccccc2Br)C1 2235747548 QTMBVNVSWCJFLX-NZSAHSFTSA-N 435.406 4.992 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2235748958 FHVBLDIRNPUXGG-QRQLOZEOSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccc(C)cc1)c1ccc(Br)cc1I 2239637642 FYMLUJLWLZSWSP-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)CC1CCC1 2247802361 PYDRYGMOKQJXPN-UHFFFAOYSA-N 425.403 4.798 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)OCCC(=O)O 2261827063 FPFWUIKIABNRIA-BWKNWUBXSA-N 447.572 4.799 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2266070962 DIMWHARCXQFXBM-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267271018 PDMRDNGAZBMBST-SFHVURJKSA-N 448.397 4.846 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@@H](N)C#Cc2cccc(Br)c2)CC1 2296223457 ADPPQBMUUOTBOS-BJLQDIEVSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@]1(N)C#Cc1ccc(Br)cc1 2296295585 FIZSGZHPTGMZEX-VGOFRKELSA-N 433.390 4.603 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1ccc(C)c(C)c1 2320934171 BWNXGBMGGNCPPP-UHFFFAOYSA-N 449.580 4.635 30 10 IJEE COc1ccc2[nH]c(C(=O)O)c(C=Nn3c(C)nnc3SCc3cc(C)cc(C)c3)c2c1 2321817817 RODFGQURZYFKOU-UHFFFAOYSA-N 449.536 4.566 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCO3)cc1C 2322687905 WUBVXLKFRSCBRM-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2323126336 YVUSREYWYGNKIE-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccn2)C3=O)c1 2323895670 LDKFGZHPUCDYAT-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c1C 2324081050 VBWFYCMAXIUXTC-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1cc(O)c(CN2CCC[C@@H](CO)C2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2324209903 JRQVCMXHJFFSHN-OAHLLOKOSA-N 448.346 4.828 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)c3C)C2=O)o1 2325263998 BXBUPXVDGQZKOV-UHFFFAOYSA-N 449.415 4.866 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 2325706340 NRFFXJOXWFBHDF-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC(=O)C(F)(F)F 2325719889 UAESSNGKTDLKNL-UHFFFAOYSA-N 429.188 4.822 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccc(F)c(C)c1 2325746696 KMLUUNYHNFHYMK-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccc(O)cc1 2325817413 JSFBQPROMSZVFI-UHFFFAOYSA-N 440.569 4.863 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccccc1OC 2326618271 ORFMTPMCARPTPR-UHFFFAOYSA-N 431.359 4.786 30 10 IJEE CCCOc1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)CCCc3ccc(C)cc3)CCN2)cc1 2328263773 RNEMLCKXZNGIGG-AOYPEHQESA-N 448.607 4.626 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329763858 WECCSQRXNSEDDB-UHFFFAOYSA-N 431.880 4.730 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 2330961689 UXIQVBLHNARULA-LJQANCHMSA-N 428.945 4.972 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)cc1 2331733941 GKTRBFJJVQJBIP-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339603716 FDHBVOLDDPPSKC-BOESKOKUSA-N 444.381 4.798 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)n1 2362163391 FBESFWRUOAMURP-IGABQKFOSA-N 448.416 4.509 30 10 IJEE CC1(C)OB(c2ccc(N[C@H]3CCCCCN(Cc4ccccc4)C3)c(C#N)c2)OC1(C)C 2364935064 IOCJNNXQWKBIBF-DEOSSOPVSA-N 445.416 4.714 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC 14092546 GUXRHWJDRZWTKA-UHFFFAOYSA-N 442.972 4.642 30 10 IJEE Nn1c(N/N=C/c2cccc(Oc3ccccc3)c2)nnc1SCc1ccc(F)cc1 20292480 GCBUJEVVGDUOTQ-AFUMVMLFSA-N 434.500 4.662 30 10 IJEE C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)SC1=S 33318049 YIMJRXDMRLIOLF-XDHOZWIPSA-N 426.563 4.576 30 10 IJEE COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1OC 33321215 HAXQYPBSXHWOJQ-NPMXOYFQSA-N 432.476 4.664 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2cccc(OC(=O)c3c(OC)cccc3OC)c2)c1 34955433 APFMJXNVBCWIFP-QBFSEMIESA-N 448.471 4.836 30 10 IJEE CCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)cc1 38619987 PNWCVOFQAPFHMS-UHFFFAOYSA-N 444.531 4.777 30 10 IJEE CCCCCCCC/C=C/CCCCCCCC(=O)OCC[N+](C)(CCO)CCO 60258845 SSHFBDGRTJBZDI-ZHACJKMWSA-N 428.678 4.998 30 10 IJEE CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)NC(=O)CCC 72399567 BVVVVEVXBZVIFX-CQLAPORSSA-N 449.569 4.999 30 10 IJEE in-vitro CN(C(=O)OC(C)(C)C)C1CCN(c2nc3ccccc3n2Cc2ccc(C#N)cc2)CC1 95074731 SHYQYLMRHYBZNN-UHFFFAOYSA-N 445.567 4.792 30 10 IJEE COc1cc(/C=C\C(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1OCC#N 96920700 PZDGCVUGPOSIBG-DADDIACRSA-N 436.558 4.908 30 10 IJEE CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 105535346 MNJJGUCIRNLCDF-QGZVFWFLSA-N 436.364 4.964 30 10 IJEE Cc1cc(SCC(=O)N[C@H](C#N)c2ccc(F)cc2F)c(C)cc1Br 111029325 NKKAVWKSFCSHIA-MRXNPFEDSA-N 425.298 4.817 30 10 IJEE Cc1nc(COc2ccccc2/C=C/C(=O)N[C@@H](C#N)c2ccc(F)cc2F)cs1 111029885 JDMRVKSGXYHDSN-ZGBFETHSSA-N 425.460 4.703 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923072 TZBXFNVHZFHAKB-XMMPIXPASA-N 441.483 4.721 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936177 UEEYVVBAPKPCGY-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2c[nH]c3ccccc23)cc1 170077042 ZYZYIBSYUKPTTF-DEOSSOPVSA-N 437.499 4.904 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)c(C)c1 170082903 WOGSJIHGDPVSQM-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccco1 170123342 IYAWJCHLGFWWOU-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 170133122 YJVLXRIQCDSWNV-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccs2)cc1C 170157446 APBCLNCFYVUCNR-OAQYLSRUSA-N 435.501 4.944 30 10 IJEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)cc1Cl 170197029 CTWVVTVVPNTJNN-GOSISDBHSA-N 447.318 4.918 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)ccc1Cl 170203304 CUQXCQFIRNUVRB-NRFANRHFSA-N 434.879 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c(OC)c1 170299635 PKGVEEDGQZFWBD-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(C)o2)cc1 170300792 KPYYPYDUAHXQEB-QFIPXVFZSA-N 431.444 4.662 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC)c1 170323748 ZXXMZFLDCCRILS-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(C)c2)c1 170344240 UOFDMPVUHIRLAP-NRFANRHFSA-N 431.444 4.548 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1 170438072 NGNVJOFIDKALKU-HSZRJFAPSA-N 431.488 4.979 30 10 IJEE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=N)N)CCC2 256018415 HPJHPUBZGXFKNG-OUPFIJQZSA-N 429.484 4.779 30 10 IJEE N#Cc1cnc2c(Br)cccc2c1N1CCC(n2c(O)nc3ccccc32)CC1 440650926 UGYMEUCWBPNXCE-UHFFFAOYSA-N 448.324 4.766 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(F)cc(Br)c2F)cc1 490509615 JXPMMWZCQWTJDK-UHFFFAOYSA-N 425.233 4.679 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)nnc1-c1ccco1 496932760 ANINWZJVKOLRAA-QGZVFWFLSA-N 442.972 4.876 30 10 IJEE C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502192946 FNUDJKZYXQMLRM-HNNXBMFYSA-N 435.915 4.673 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2cccs2)C1 508937917 DVCOZBGGXRGVLI-INIZCTEOSA-N 431.359 4.533 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(O)c2)ccc1OC 526487313 XIQMKRAKIGKJKR-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)cc2)ccc1OC 526516104 NJFHKBBZQCZSOO-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607247 OJOUGSAQCJWYRW-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 526814583 LYSUNVIEDDRZCX-WNFQYIGGSA-N 438.296 4.676 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(OC)c(OC(F)F)c1 606767306 FMGOBJYTBKHTNI-UHFFFAOYSA-N 431.357 4.810 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670234562 LCPTXUJMGUBCNC-IBGZPJMESA-N 442.514 4.777 30 10 IJEE C=CCC1([C@@H](NC)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722932722 FVASYMPSFXPFJR-KRWDZBQOSA-N 427.358 4.970 30 10 IJEE Cc1ccc(O)c[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1ccc(C(C)C)cc1 726570157 UOBOYAQJZBNBIJ-UHFFFAOYSA-O 448.568 4.618 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OCc2ccccc2)nc1 729187559 FCRAITVIMBPAGA-JOCHJYFZSA-N 427.504 4.747 30 10 IJEE Cc1c(C(=O)N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)sc2ccccc12 741250385 GDHWIWXMNMADQS-UHFFFAOYSA-N 439.968 4.724 30 10 IJEE COc1cccc(Cc2cnc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)s2)c1 767818522 COSLSZWUSBOKAE-UHFFFAOYSA-N 430.533 4.935 30 10 IJEE O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1ccc(=NCC(F)(F)F)cc1 775492559 BWYLBHLQXQJYCP-UHFFFAOYSA-N 446.269 4.708 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2ccc(C3(C#N)CC3)cc2)nnc1-c1ccco1 777151193 BIOJUJAEMCKSQR-UHFFFAOYSA-N 434.521 4.505 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)c1ccccc1CC#N 781660908 XKMCMADCMIENGL-UHFFFAOYSA-N 429.314 4.708 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1ccc2cnccc2c1 783809000 MJUHBCOZTHKEQM-HXUWFJFHSA-N 438.350 4.516 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC(O)(c2scnc2Br)CC1 800580500 PKLVZBVKLJYNFT-UHFFFAOYSA-N 436.375 4.540 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)c(F)c1 1084235634 MDJGRFODZHUKRY-UHFFFAOYSA-N 434.500 4.582 30 10 IJEE Cc1cc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)c(C)o1 1125383715 BNAXOFHNGRDWFY-AWEZNQCLSA-N 440.912 4.537 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)COc1ccc(Cl)cc1Br 1128907887 RZGQSGCYBSBFPN-UHFFFAOYSA-N 440.769 4.864 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)CCCn3ccc4cc(Cl)ccc43)c2C#N)C1 1131405529 IUVJNCLETWGVOO-UHFFFAOYSA-N 440.956 4.551 30 10 IJEE C#C[C@H](NC(=O)c1nccnc1-c1nc2ccccc2s1)c1ccc(Br)cc1 1141460727 FHOYZBLVQNIDJS-HNNXBMFYSA-N 449.333 4.620 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)NC[C@@H]3CCCN3CC3CCCCC3)c2)c1 1160738334 DBFGMJYFZMHJGG-VWLOTQADSA-N 431.580 4.912 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccc(C#N)cc2Cl)CC1 1193898047 IDGGKGFQGXGOQY-ZDUSSCGKSA-N 437.758 4.668 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OC)cc2c(OC)ccnc12)c1ccc(Br)cc1 1208833701 YHTKLZHRHJYPCC-QGZVFWFLSA-N 440.297 4.511 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)cc1 1215055528 DREVHQUPBNBJGG-QFIPXVFZSA-N 431.496 4.708 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCOCC1 1220684732 ZPUJLAAWHZWVIM-NZQKXSOJSA-N 435.955 4.681 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1224521385 GHVADWFCZBRJBB-PMACEKPBSA-N 442.357 4.561 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC 1224915367 YWSGMRVITOVVNP-UYAOXDASSA-N 431.577 4.743 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1264281139 UYBIVNVUDYXUBC-UHFFFAOYSA-N 445.471 4.682 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1264778582 HNDISHYGARCUFV-LJQANCHMSA-N 448.445 4.759 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cc(Br)ccc1OC(F)F 1264895537 CJZLNMPJFIZFSN-UHFFFAOYSA-N 442.256 4.554 30 10 IJEE N#Cc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1Br 1274484402 FFONTWPRKNENNY-NRFANRHFSA-N 448.320 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1sccc1C 1286419791 FPIBXSPVHIIFHN-SFHVURJKSA-N 438.984 4.953 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C(C)(C)O)c1 1286437165 BBYZPQKIYPMVDA-GOSISDBHSA-N 448.636 4.867 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](C)(CC)C1 1286501015 JOTSDZYEVNYFEV-XMMPIXPASA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(CC)C(C)C 1286517230 DXITXDWPQMMVBC-KBMIEXCESA-N 439.673 4.854 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCC1 1286604840 XKWQDAUQSLUJBU-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C)C1 1286612989 MMWXNTFISYWCSE-MRXNPFEDSA-N 439.387 4.993 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)CCCC)CC1 1286655509 QPWFRLOCHPHVQZ-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1286664877 KKOCJHXRIHYFTQ-REWPJTCUSA-N 426.605 4.937 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)CN(C)C)C1CC1 1286735115 NTVPRKCNRSHOGG-KRWDZBQOSA-N 427.662 4.874 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCN1CC 1286753137 VOBJYXOCHSETIN-IBGZPJMESA-N 444.421 4.679 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1286769818 ULMJGDRAQHHNJT-UHFFFAOYSA-N 440.588 4.712 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cccs2)C1 1286804449 NLROEOSYVMVJGR-KRWDZBQOSA-N 445.386 4.599 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@H]2CCC(C)(C)CO2)nnc1-c1ccc(Cl)cc1 1289357119 RAVHRIAZIVOBOL-GOSISDBHSA-N 449.020 4.588 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCC(C)C)C1 1292340556 BJVOYLFBIALPSH-JWQCQUIFSA-N 439.604 4.542 30 10 IJEE C#CCCNC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 1293381654 IBYYIGQPGFNWSG-UHFFFAOYSA-N 428.463 4.940 30 10 IJEE C=CCCOCCCCC(=O)Nc1ncc(C2CCN(C(=O)OC(C)(C)C)CC2)s1 1297544975 SNKVJRCCKYHVAJ-UHFFFAOYSA-N 437.606 4.959 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCC[C@@H]1C 1300286889 PBQQVUGJMGGFLG-SJORKVTESA-N 434.415 4.974 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](C)C1 1300371427 SFUAOJFPRYTUPH-BGYRXZFFSA-N 445.007 4.669 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)S[C@H](C)C1 1300743355 NPUPWTQZFOOUFN-GVDBMIGSSA-N 446.711 4.828 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1300830153 DJKJFMBLRXGMQL-IKGGRYGDSA-N 447.377 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1300881651 QBEDRFMESDVFLA-PTLVVNQVSA-N 449.599 4.578 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2nc(C)c(C)s2)CC1 1301070609 QKZXGDKKBOOBEC-UHFFFAOYSA-N 447.406 4.508 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1301127908 XOUBZOVVOZBQQE-IZZQQSIFSA-N 430.543 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1301137941 YYOMXLDLDAHGSU-IBGZPJMESA-N 441.595 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1301139053 KUAVOUDADXPKDL-YADHBBJMSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1301152130 USYVWYPHWSOQHJ-WOJBJXKFSA-N 431.669 4.990 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N1CCCCCC1 1301279201 YRUXOMMCZOVPPK-GOSISDBHSA-N 441.645 4.546 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1301436160 REBSILHSTOHUMA-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1301606026 HPNQDZCHUJNHDR-IFMALSPDSA-N 437.613 4.797 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)C2)s1 1303067240 GWXIBEGMKIAVSE-UHFFFAOYSA-N 448.013 4.913 30 10 IJEE COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(C#N)c(C)c3)n2)c1 1307360026 DAJRYLJTXQOPQB-UHFFFAOYSA-N 425.535 4.738 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1OC 1308402541 DUCVTCQMRYCEIV-KRWDZBQOSA-N 431.838 4.635 30 10 IJEE C#CCCCCNC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 1312280901 WMOCLIHJJUOOGK-OAQYLSRUSA-N 443.547 4.764 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 1349066578 IBTZJUQTSBXNNU-UHFFFAOYSA-N 438.867 4.540 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1csc(Cl)n1)c1ccc2c(c1)OCO2 1350353319 CIIGAUVZGXHPLW-UHFFFAOYSA-N 428.897 4.937 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1 1352552166 HVANEQGNGINNGJ-FQEVSTJZSA-N 428.451 4.770 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 1352619866 IARBJTLOFZRVCA-XMMPIXPASA-N 431.580 4.669 30 10 IJEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cn(CCc4ccccc4)nn3)c2C#N)C1 1354089348 BPACTAQJGHKZDJ-QGZVFWFLSA-N 433.581 4.857 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1357275417 QJWVXXDIAUNLEO-SFHVURJKSA-N 427.589 4.737 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)N(CC)CC 1358875926 YZFNNQUIGHJJKP-CTNGQTDRSA-N 432.616 4.541 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1358907861 DIMBIJCITAJILE-WMZOPIPTSA-N 429.362 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1359063589 YLGCCUDSXLFUOZ-LJFZDNNRSA-N 425.646 4.712 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)C(C)C 1359066624 HWJKCMFXVHVOHK-UOKFIYJESA-N 426.630 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCCCN1CCCCC1 1359074001 MRHCHSAENYUFMH-HHHXNRCGSA-N 449.643 4.814 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2CC1 1359125588 KWVSIFWRCBFWDK-NRFANRHFSA-N 437.588 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359184783 ACCFOJKKTZNVDV-HSZRJFAPSA-N 448.615 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](SC)C1 1359191213 RHQUDPUEPZRYLT-KRWDZBQOSA-N 447.674 4.594 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1sc(C)nc1C)C1CC1 1359253599 MLWRJQGBPNJPFZ-UYAOXDASSA-N 429.634 4.668 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1cccnc1 1359268150 FOEVRRYURUYCGL-UHFFFAOYSA-N 438.373 4.832 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC2(CCCCC2)C1 1359285865 UONCCPYIPRYWSQ-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C#CCN(C(=O)C1=Cc2cc(C)ccc2OC1)[C@@H]1CCOc2ccc(Br)cc21 1360557464 YLQPMDGXAMILPV-HXUWFJFHSA-N 438.321 4.519 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc21 1439756990 IZGOAVXNRRFHTN-UHFFFAOYSA-N 433.390 4.590 30 10 IJEE N#C[C@H](NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1ccc(Br)cc1 1441055198 FGQFILOLBORSNW-SFHVURJKSA-N 442.700 4.865 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCCN1C(=O)OC(C)(C)C 1443040787 CFNTXHPQQWTRML-DEOSSOPVSA-N 430.976 4.671 30 10 IJEE Cc1ccc(C(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1Cl 1444829401 CVBCXKZVWZWCHG-INIZCTEOSA-N 443.746 4.986 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 1458337749 HYYVLZAZCUCHSW-SFHVURJKSA-N 437.588 4.615 30 10 IJEE N#Cc1cccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c1 1458723605 AEMIEQAIZMGWKM-UHFFFAOYSA-N 431.904 4.886 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)c2c1 1459146184 DGUYYPIFRYWRJW-UHFFFAOYSA-N 447.510 4.994 30 10 IJEE CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)S(=O)(=O)CC(C)(C)C#N 1463093690 BTGYXMTZUVBBMN-UHFFFAOYSA-N 428.598 4.892 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)c1 1464865838 CTRYKVPGPNLADS-UHFFFAOYSA-N 438.936 4.789 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 1467031367 UJDUAUAVCQDYCT-UHFFFAOYSA-N 433.969 4.585 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c1ccccc1SCC#N)Cc1ccccc1 1468457782 AOXBTMYHDZTJCY-LJQANCHMSA-N 439.581 4.510 30 10 IJEE C#CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCCc2ccccc21 1468794152 KVSTWGIWRSBGMM-DNQXCXABSA-N 447.579 4.975 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nnc1-c1ccc(F)cc1 1472931264 VSHPPFFOFCUTPN-SFHVURJKSA-N 446.910 4.960 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cc(C)c(Br)cc1C 1475290411 OIEPQSRGNKSQPH-UHFFFAOYSA-N 440.407 4.610 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cccc(COCc3ccc(OC)cc3)c2)cc1 1476058718 HQNQJRFLAXBLIU-UHFFFAOYSA-N 430.504 4.746 30 10 IJEE C=CCC[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)c1ccccc1 1478257121 IAQZHKRIVUDBQB-FQEVSTJZSA-N 435.337 4.800 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc(Br)cc1 1495560197 AEYRTIIMKMJQLG-IIBYNOLFSA-N 430.394 4.927 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCN1CC 1507518413 AVNNSFMFALOCPK-HZPDHXFCSA-N 428.005 4.755 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCOC)Cc1ccco1 1507574666 AYZONXXUKBEBNF-UHFFFAOYSA-N 433.339 4.911 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccccc1)C1CC1 1507579483 XWGKZQJFPHGKDC-UHFFFAOYSA-N 438.373 4.629 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C(C)(C)C1 1507591121 JKISQUJJAHCDON-UXHICEINSA-N 443.636 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@H]1C(=C)C 1507661916 AQYLXYPLXNALAL-QPPBQGQZSA-N 448.636 4.720 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC1CCN(CC)CC1 1507678629 AVNKIIDKEJHJDE-QFIPXVFZSA-N 437.632 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCS1 1507764318 NESJFEXRWSBBNG-PGRDOPGGSA-N 432.540 4.824 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2cccc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1507875106 NKYIVCPMMMJQHN-UGKGYDQZSA-N 434.943 4.552 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1507904718 OQYWHNHJKDQKEV-IBGZPJMESA-N 427.662 4.843 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 1507924157 JJAVULQIZLHRFU-NRFANRHFSA-N 439.604 4.830 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1507944071 MEUJJTURUNNPMJ-UHFFFAOYSA-N 440.960 4.911 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1507944791 YRPKHYJRNOCKBI-UHFFFAOYSA-N 434.544 4.603 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1507959188 JJEHOKNTLGLLKT-RCZSKKKRSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1508159124 RGGUIMOCMGVUCA-HNNXBMFYSA-N 444.498 4.551 30 10 IJEE Cc1nc(Cn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)sc1C 1510427776 DZMQPEKEARVRBD-UHFFFAOYSA-N 432.597 4.863 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C#N)CC1 1510559590 CLYFNLADYFVQQA-IBGZPJMESA-N 433.478 4.635 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)cc1 1517879993 SEHKBFCAQPTPSX-SQFISAMPSA-N 425.481 4.896 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1520088509 SFTCOQSHTKJETI-XMMPIXPASA-N 430.545 4.784 30 10 IJEE C#CCOc1ccc(COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 1521612561 UJLLVFKBGYNBTN-RCZVLFRGSA-N 445.540 4.906 30 10 IJEE N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1 1526849888 BLCIZTWKEYXLTR-UHFFFAOYSA-N 436.340 4.751 30 10 IJEE C#CC[C@]1(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)CCCN1C(=O)OC(C)(C)C 1527308013 LXXHFKBJPFAUPR-HSZRJFAPSA-N 442.947 4.566 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2nn(C(C)(C)C)cc2Br)c1 1529646647 KLDFZRUOARTWFJ-UHFFFAOYSA-N 426.314 4.822 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(C(=O)OCC)c(C)cc2F)CCCN1C(=O)OC(C)(C)C 1532387401 ZESMOOJCRHPYLK-HSZRJFAPSA-N 434.508 4.595 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@]23CCCC[C@H]2C3)ccc1Cl 1535054172 RJAUYEXCBKEPPR-FDDCHVKYSA-N 444.984 4.784 30 10 IJEE Cc1cc2c(cc1Br)N(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)CCC2 1535431448 BULWXROSSLLJBU-KRWDZBQOSA-N 442.332 4.574 30 10 IJEE C#CCN(C(=O)[C@@H](CC)Oc1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1538199560 VBKBINGWGFCVSQ-LEWJYISDSA-N 442.353 4.901 30 10 IJEE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1538242967 RDIZCSLTGPTOHC-GXDHUFHOSA-N 425.319 4.985 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Br)o1 1539060133 ZTFGOOJWXICZHK-UHFFFAOYSA-N 438.329 4.612 30 10 IJEE C=CC[C@]1(C(=O)NCc2cc(Br)ccc2C)CCCN1C(=O)OC(C)(C)C 1539367905 IWMQIZXLHALFPL-OAQYLSRUSA-N 437.378 4.720 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N(C)CC(C)(C)C 1539642104 OZHAGROUZULSKI-AUSIDOKSSA-N 442.604 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCSC 1539668438 ZJQXVYZHUMBINA-SFHVURJKSA-N 437.654 4.548 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1 1539668700 CLTOAVVJMUCGLL-UHFFFAOYSA-N 439.604 4.843 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539952978 MYVIENWWNSMUGF-JOCHJYFZSA-N 434.588 4.943 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1540005533 JCWNXECGQLODDP-WOJBJXKFSA-N 431.625 4.572 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 1540019802 MZRZDNGYSMTQJE-UHFFFAOYSA-N 436.604 4.748 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1540122190 RKWDTKLXIPBJSW-NHCUHLMSSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@@H]1C 1540128879 QQXREOSLQCXPCZ-UQBPGWFLSA-N 447.608 4.546 30 10 IJEE C#CCN(CC)C(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1543656027 LMQFTHSCPMEOAB-HXUWFJFHSA-N 430.548 4.519 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@]2(CC)CCCN2C(=O)OC(C)(C)C)cc1 1543922078 ZXJHPACTKOIWFN-RUZDIDTESA-N 441.572 4.619 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)C=C)c1 1544668374 UWWHBXDUGGDAQR-UHFFFAOYSA-N 432.973 4.663 30 10 IJEE CCC(CC)(Cn1c(CC(C)C)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C 1545788082 IDCFEIDNJQZTRY-HSZRJFAPSA-N 446.640 4.690 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CC#N)N(C)C 1545807113 AZEZPNPMMTZENF-MBSDFSHPSA-N 433.604 4.598 30 10 IJEE C[C@H](NC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1567480401 GVKFPQRYOGXKRA-SSOJOUAXSA-N 437.515 4.752 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 1567756877 DVWDUYLNJGMEPR-MRXNPFEDSA-N 447.885 4.539 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1568602400 RFOOKVDEFWSRII-UQBPGWFLSA-N 432.564 4.858 30 10 IJEE C#CCN(CC)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1583190544 JGOYLHHASUZCJZ-SANMLTNESA-N 444.575 4.956 30 10 IJEE C#C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccncc1)c1ccc(Br)cc1 1583565130 BZRHRCSRLIHOKY-OAQYLSRUSA-N 444.332 4.951 30 10 IJEE C#C[C@@H](NC(=O)C(C)(C)c1ccc(Br)cc1)c1ccc(Br)cc1 1583566697 ZODHQLUISLAMQU-QGZVFWFLSA-N 435.159 4.980 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)c1ccc(Cl)cc1F 1583584896 GPFAEPFVSPNMDL-HSZRJFAPSA-N 434.898 4.822 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccccn3)Cc3ccccc3C)n[nH]2)c1C 1584878046 CTIFCSBBVJTNLI-UHFFFAOYSA-N 440.551 4.622 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3nc(C(C)C)ncc3OCc3ccccc3)cc21 1585552465 SJDUFSVPDRTXOH-UHFFFAOYSA-N 427.508 4.967 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)ccc1SCC(F)(F)F 1586039477 AGBPGXVMKQJTNO-AWEZNQCLSA-N 430.492 4.895 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1587706944 UQNJWKHDGARAIZ-TZIWHRDSSA-N 447.549 4.696 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccc(Cl)cc3)C(C)C)ccc2c1=O 1587810580 QCPZJJNNIIQFBJ-LJQANCHMSA-N 427.957 4.652 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC=C(C)C1 1589296158 OYFTUHGYJBGDAI-QGZVFWFLSA-N 447.377 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)[C@H](C)C1 1589570418 VAFRLKRVFWEKBN-XSARVHFWSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCCCC1 1589599998 ROIOHRBITZPUNW-FQEVSTJZSA-N 429.584 4.836 30 10 IJEE C=C1CCN(c2nnc(CC(C)C)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1594102516 PWHOQGSLUXBKLE-HXUWFJFHSA-N 431.625 4.813 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](OC)C1 1594582038 LIFOTVSCAFKVKB-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCSC1 1595275570 GXHHYGUCKFIPGE-KRWDZBQOSA-N 432.659 4.667 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1595507155 XXFFNQKKAAWJHI-HOTGVXAUSA-N 448.398 4.571 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C/C=C/CC)C1 1595699995 JSMPOOYNLCODGU-SQRWCISFSA-N 435.341 4.594 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C2CC(C(C)(C)C)C2)C1 1595743808 GQNUHYVKHSVITF-BBHUYCHWSA-N 438.616 4.850 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCC(C)CC2)cc1 1613778602 CZVRTLPQSATQGF-SANMLTNESA-N 434.632 4.760 30 10 IJEE CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 1614423520 HRYKHNLQRDXTFW-CRAIPNDOSA-N 433.478 4.553 30 10 IJEE CCOc1cccc(Cn2c(C3CCCC3)nnc2N2CCC(C#N)CC2)c1OC(F)F 1616436676 HPNLLFOMPPGOHH-UHFFFAOYSA-N 445.514 4.724 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(O)c(F)c1)c1ccc2c(c1)OCCO2 1616620582 WJBUYVMHJVTXNI-UHFFFAOYSA-N 449.478 4.643 30 10 IJEE C#Cc1ccc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)c(Cl)c1 1618186161 IWULHGZPFKYBFW-XSFVSMFZSA-N 431.908 4.673 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C)c1ccc(Br)cc1 1626126852 PZJZFDARYVUVNU-GOSISDBHSA-N 427.277 4.578 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3c3cccc(C)c3C)ccc2c1=O 1628746147 RLNWUTXAJKWVAE-QFIPXVFZSA-N 433.577 4.855 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CCC2)cc1 1630938169 GGZPYYOJMAUMRU-JOCHJYFZSA-N 432.568 4.535 30 10 IJEE CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1c(Cl)cc(C#N)cc1Cl 1632874380 DTZSAHFLMYTBAF-UHFFFAOYSA-N 427.335 4.970 30 10 IJEE C=CC1(CC(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)CCCCC1 1633577881 NKLZMQDNQLYMND-UHFFFAOYSA-N 442.600 4.524 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 1633738245 BSKXQGMKDNLTNG-IBGZPJMESA-N 437.367 4.916 30 10 IJEE C#C[C@H](NC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1)c1ccc(Br)cc1 1636541806 PFRQSXFQELBEDF-JXFKEZNVSA-N 449.707 4.615 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NCc2cncs2)c1)c1ccc(Br)cc1 1637663391 RXLUJXGYROQEPT-IBGZPJMESA-N 426.339 4.622 30 10 IJEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1 1641397670 AQASQQHJKRBEIP-QFIPXVFZSA-N 438.936 4.635 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCc3ccccc3O2)CC1 1641785326 UAAGGVGKKKQZJC-HXUWFJFHSA-N 428.573 4.622 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 1648462259 ZRFAJXVDRUFASE-PLTNMMHCSA-N 442.581 4.752 30 10 IJEE C=C(C)COc1cc(CNc2ccc(I)cc2OC)ccc1OC 1651125411 PKUDYYHKDXPQPJ-UHFFFAOYSA-N 439.293 4.875 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCCc3cc(Cl)cc(Cl)c3)nnc12 1652376942 RLEVKYMYMUPTOF-UHFFFAOYSA-N 431.348 4.872 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 1663279382 HYFHOLKMGRRVQD-UHFFFAOYSA-N 447.940 4.985 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Br)cc1F 1664401654 QKZHIANVQMCFDH-CYBMUJFWSA-N 432.742 4.707 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 1669074151 YGKWIWBGGAHNDB-JOCHJYFZSA-N 438.568 4.966 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CCCCCC1 1670555470 GTUKBEICCFBWQT-QFIPXVFZSA-N 440.588 4.805 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1670932188 KGCAKLIELFSRGW-GOSISDBHSA-N 425.382 4.778 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)Nc1cc(Br)cc(I)c1 1673414262 UCJJRRSPKKUGFH-CYBMUJFWSA-N 435.103 4.626 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c1 1673779997 ZLZCHAMORWWEJU-UHFFFAOYSA-N 425.529 4.640 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](c3cncc(Br)c3)C3CC3)cc21 1674679702 PPZBBIDRWVSTRP-IBGZPJMESA-N 426.318 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 1677148986 NSSZMTWTSVBRTI-FKBYEOEOSA-N 445.604 4.656 30 10 IJEE C=C(CNC(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1679427760 BCDXEFMFBIVVGV-RBBKRZOGSA-N 429.923 4.542 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1681716397 BJYVAQOKUGITCV-IBGZPJMESA-N 427.504 4.818 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1ccc(Cl)cc1 1683502870 WPDJQMMWUCVHRZ-ZEQRLZLVSA-N 445.950 4.588 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1)c1ccccc1 1683734266 RXNBFATXUYPLJM-JOCHJYFZSA-N 438.568 4.920 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1)c1ccccc1 1684989299 SILKEFBCUCWUTM-MOPGFXCFSA-N 427.570 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN(C)CCCC 1690214807 XWFSJYIBKLNMAU-XMMPIXPASA-N 425.646 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCc1ccncc1 1690257736 SADQDAMCSRCBSR-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)OC 1690258469 HHWICNFJDLTQTH-CYBMUJFWSA-N 427.774 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCc1scnc1C 1690271501 RDMHBEBLDMABIU-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C2CC2)C1 1690301079 OOQXZYVLWCVOQB-MJGOQNOKSA-N 430.980 4.901 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1690328052 DMKAZQHMRYYSND-SUMWQHHRSA-N 426.895 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1690419553 VRKHBTCJLOETOS-UHFFFAOYSA-N 441.595 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690436714 YHAVAETXBSCROZ-UHFFFAOYSA-N 440.636 4.540 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1690445068 QZXFAKRQHZSELN-AWRGLXIESA-N 430.600 4.619 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1690449732 PHQGDFJKSMYXHR-NRFANRHFSA-N 448.615 4.868 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690453862 LOYMBGYGVPISLJ-MBSDFSHPSA-N 430.980 4.729 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1690475601 XKMOEFOBECPVEF-OALUTQOASA-N 441.576 4.648 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1690535049 UWBBUKBDPWPBMI-UHFFFAOYSA-N 445.633 4.804 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1nc(C)cs1 1690565306 GOAROIFUTKBEGI-NQIIRXRSSA-N 437.613 4.933 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCO1 1690609069 BKGYBRXDFWSMSQ-IBGZPJMESA-N 442.510 4.544 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690629365 UBUXZEQLEYFLMC-PZJWPPBQSA-N 439.604 4.699 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1690649574 BEBSFFWLZVRNAF-NHCUHLMSSA-N 438.616 4.984 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccccn1 1690738674 VGVOPLIQROIXJF-UHFFFAOYSA-N 444.402 4.658 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1690749710 MTKVFXRDRIVDMD-NRFANRHFSA-N 444.645 4.644 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCSC(F)(F)F 1705478320 ZPKBJBJZTZMUAT-STQMWFEESA-N 432.899 4.782 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705534558 KYLBGXNNRXAMRH-UHFFFAOYSA-N 426.580 4.970 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CCC(C)CC1 1705653232 CIXUIVXURVWCNI-XBMUEBEBSA-N 430.593 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCC(C)(C)COC 1705677337 KXEYJSZNPIGTDR-AREMUKBSSA-N 438.616 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSCC1 1705695563 CDSLZSJDPFLUPE-VWPQPMDRSA-N 442.629 4.569 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCSC1 1705698429 UHZSLLHLYVFQLS-MBDNFAEBSA-N 426.630 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(OC(C)C)c1 1705704144 QRPPKQUDNAMIFM-VWNXMTODSA-N 447.583 4.745 30 10 IJEE C=C(Cl)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705750505 FQFAKLOOYNWDOB-QHCPKHFHSA-N 425.964 4.887 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2Cc2ccnc(OC(F)F)c2)CC1 1705778880 MZMUGFULBIGZNX-UHFFFAOYSA-N 425.483 4.701 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1705820190 DWBAZWBXVSGZMB-LJQANCHMSA-N 433.394 4.783 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1705829345 NXHVUMVNYIDLIE-OAQYLSRUSA-N 430.980 4.760 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1705853778 HVJYEGVSONVWEY-UZUQRXQVSA-N 430.543 4.753 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1Cc1cccnc1OC1CCCC1 1706745783 HVGAZBLNRAFGTB-KRWDZBQOSA-N 434.519 4.587 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2C[C@H]3CC[C@H]2C3)cc1 1710533822 GLSYZFNDWQCQIO-CRSSMBPESA-N 437.588 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccnc(Oc2ccccc2F)c1 1722518110 UTGANBILRTXBID-IBGZPJMESA-N 437.519 4.559 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1722520323 FUBYFYINDWCAOP-UHFFFAOYSA-N 449.624 4.852 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1722521022 YYRAACXXDBIQDS-UHFFFAOYSA-N 443.592 4.896 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[C@H](OCC)C(C)C)CC1 1722575426 JECQUQRXCODNDR-FQEVSTJZSA-N 426.561 4.527 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722596884 AXAQGUKZENUZCM-ZWKOTPCHSA-N 434.382 4.540 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722601848 XVYUTIGAWCXRHO-SNRMKQJTSA-N 446.935 4.542 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCN1CC)C1CC1 1722645622 TVCGQOWWOWNJAC-LJQANCHMSA-N 431.531 4.576 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1722654063 PLVUXFUSBQNNMY-INIZCTEOSA-N 440.947 4.803 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CC1(COC)CCOCC1 1722660213 PKZOYVNEEPYMIZ-UHFFFAOYSA-N 444.595 4.642 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1722741865 YZFZFMIICBBLKQ-IBGZPJMESA-N 428.602 4.509 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](COCC)C1 1740568737 OEVNPVFIEXBUQB-IBGZPJMESA-N 426.630 4.942 30 10 IJEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740597281 MLSAZWFAFHRXEU-IBGZPJMESA-N 444.526 4.541 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCN1CC 1740766354 FZYCPNKQXZHIGJ-VQTJNVASSA-N 429.584 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1740771881 OEDCPSZFEOSUQJ-UGKGYDQZSA-N 438.645 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CC1 1740772250 GZOWFHKCVGCESF-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cccc(F)c2)CC1 1740819034 BCMCKGVMYWLPJI-UHFFFAOYSA-N 444.352 4.584 30 10 IJEE C=CCCCn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740881646 NDVQDHRBTDONTE-GBESFXJTSA-N 431.625 4.887 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)nc1 1740920829 HEWXGHXKBHNYEM-IBGZPJMESA-N 441.938 4.601 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CC1CCN(C2CC2)CC1 1740923788 VLWOFOIFFZUOLN-UHFFFAOYSA-N 427.662 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1Cc1c(C)noc1C 1740924659 ZJJURWKLTAAAAD-UHFFFAOYSA-N 433.581 4.971 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 1740970884 DTLJNZOWFLOAKC-NRFANRHFSA-N 426.605 4.731 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CC(C)(C)OC(C)(C)C1 1741005674 NRZBZMBDHQVXBI-UHFFFAOYSA-N 439.629 4.594 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1748649603 QILBOMMGTIXSCC-UAGQMJEPSA-N 436.478 4.714 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(c2nccs2)CC1 1748724665 XMRLDMJKOWXRJP-UHFFFAOYSA-N 435.597 4.810 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(C)C)CC1 1749032783 POJFIRPWRSOJPI-UHFFFAOYSA-N 435.597 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN(C)[C@H](C)CC 1749149957 KKRKNJKUDKMZAH-QGZVFWFLSA-N 434.426 4.840 30 10 IJEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1749276614 NPMXCNQOYJHBTC-UHFFFAOYSA-N 429.996 4.581 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cccnc2OC)CC1 1749292561 SGADDOBWJIQWTH-FQEVSTJZSA-N 433.556 4.643 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)CC[C@@H]2C)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1749384543 CVVLSOQVWGMKAS-HRKISDNUSA-N 438.616 4.915 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749418167 YZEXSELBJUSNJC-UHFFFAOYSA-N 425.577 4.531 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@](C)(O)C1CCCCC1 1749537929 CHQPKTMEIUAMMI-AREMUKBSSA-N 433.600 4.808 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)C 1749589758 GBBLPEPFECEQKY-FQEVSTJZSA-N 443.592 4.834 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCc1nc(C)c(C)s1 1749592558 PSWQIQQVVCDAIM-UHFFFAOYSA-N 437.569 4.646 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1749762105 PCWVLRKBZRVEGD-LJQANCHMSA-N 428.602 4.983 30 10 IJEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(C)C1CC1 1751817354 IFIDXAVXSBARCW-UHFFFAOYSA-N 431.588 4.630 30 10 IJEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCCC2)CCO1 1752032163 GLJOKQKOHVNQQU-SIKLNZKXSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCO[C@@H]1C(C)C 1760104517 ZZZYYLBLYGISCD-VDNWNZSNSA-N 426.630 4.650 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1(OC)CCC1 1760163570 WSOODJTYJLVHMJ-SFHVURJKSA-N 430.980 4.717 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccsc1 1760321029 ATMSBYIJYVQDFL-VGOFRKELSA-N 444.551 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cnn(C)c1C 1760330693 BGIZYBAYJRKUND-UHFFFAOYSA-N 443.393 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCC1 1760340375 WRIUUGVREMWTLL-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1760342567 OVNIKMHNZAZOTO-IBGZPJMESA-N 442.361 4.962 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1760344406 QEFNAHXMVBWGHV-DEOSSOPVSA-N 428.577 4.714 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1760352247 STPDXANQFUOMRI-WMZHIEFXSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1760385800 YWDZXOWFISFDGI-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2ccc(F)cc2)CC1 1760390405 KCOJMHQRKFMRJY-UHFFFAOYSA-N 425.577 4.907 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1760466382 RPHWIXWBEWVQLO-UHFFFAOYSA-N 435.528 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760484705 IEPLNXCMFGULGN-GOSISDBHSA-N 445.583 4.675 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1760498147 GUKVPFGSMKDTNC-FYYLOGMGSA-N 434.584 4.887 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)c2c(C)noc2C)C1 1760536555 BXXGGEVTSUANHS-VGOFRKELSA-N 435.572 4.697 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCC1(C)C 1768993112 FCQVFZIBHKRVBW-HXOBKFHXSA-N 443.592 4.847 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1770402818 CLGXFOQAISZCAJ-KRWDZBQOSA-N 427.618 4.743 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)NC2(Cc3nc4ccccc4[nH]3)CCCCC2)c1C 1860323002 QHNRASSJZHBCOI-UHFFFAOYSA-N 433.600 4.947 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(OC)ccc1Cl 1860983130 VVWUWCZYQBANIL-NRFANRHFSA-N 425.013 4.899 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862438290 KSWBIVWFDLSNBZ-NRFANRHFSA-N 441.911 4.877 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC)c(OC)c1 1862450537 KAVLGJQTYQUHIY-ZUOKHONESA-N 429.900 4.734 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@@H]2c2ccccc2C)cc1 1862475177 FUUTZSSDFTVVCB-XMMPIXPASA-N 437.499 4.958 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCCO)cc1 1862544267 ZKYOMADRKJPAJJ-XMMPIXPASA-N 433.548 4.615 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862547465 VSSSLOSVFSDAFY-QFIPXVFZSA-N 434.492 4.852 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1 1862556664 BWGRJZKSOCTUEL-NRFANRHFSA-N 442.943 4.707 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862677599 DHJWBNJGYHMVDU-QHCPKHFHSA-N 447.510 4.814 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(C)cc2)c1 1862699106 QBYLLRLTVLPMEY-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862759615 VUUDXRKOBVZKDC-GOSISDBHSA-N 448.397 4.848 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCCCCC1 1870532387 WKZLWNGSVWFQRS-UHFFFAOYSA-N 447.664 4.880 30 10 IJEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)cc1 1871349613 ZCCMSLJHLJSWLA-JLPGSUDCSA-N 432.564 4.948 30 10 IJEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871365838 GRBMAMPGTPXTNV-AUWJEWJLSA-N 442.638 4.795 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871395929 CYBLQUAAMXMVQE-WBRURWICSA-N 427.928 4.707 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(N(C)C)cc2)[nH]1 1871696050 IQFGYYRNNUBMKY-UHFFFAOYSA-N 433.604 4.584 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871790509 YRPIHKBQVBNHDU-HXUWFJFHSA-N 438.952 4.628 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1871969178 QVUDYMHIWAPTGK-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872150479 CRUOVOFGTSWSOQ-QFIPXVFZSA-N 427.570 4.518 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872431972 BPGKVDOAKKJQSN-IBGZPJMESA-N 444.597 4.803 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cccs1 1872503987 FZHOVOHWOHDBDS-HXUWFJFHSA-N 434.627 4.985 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872523937 KIGGBIRDUXFRSV-KKSFZXQISA-N 434.627 4.985 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872761250 JEXPJWLIXLHKJL-WGLAMXGCSA-N 448.500 4.504 30 10 IJEE CC(C)(C)N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872788020 VSPYGUWNFNQXQC-BXUZGUMPSA-N 436.364 4.940 30 10 IJEE CCOc1cc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCC)ccc1O 1874276303 FASTWWFXCFJWDW-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE Cc1cccc(OCc2nnc(SCCCO)n2/N=C/c2cccc3ccccc23)c1C 1874324227 GBMIRDOKSUZZOY-WGOQTCKBSA-N 446.576 4.984 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccco1 1874402316 SRESPTJGLNJMJB-PCLIKHOPSA-N 445.548 4.578 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccco2)c(C)c1 1874430002 NOBCPYINMVPMJY-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NCc3ccco3)nnc2C2CCC2)cc1 1874492932 MUELLBXZQMEOMB-DHRITJCHSA-N 437.569 4.553 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCC2)cc1 1874497088 TXESBIMXVXXYHT-AFUMVMLFSA-N 444.564 4.931 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C/c2ccc(Cl)c(Cl)c2)o1 1874532481 LMUUUHNYLQLOGH-ZVBGSRNCSA-N 439.324 4.838 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)c1 1874573398 MBJFEQYFRZMQGV-NTCAYCPXSA-N 431.488 4.926 30 10 IJEE CCCCCCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(N)=O)cc1 1874584662 ZIZWXRLLSAKLPM-DTQAZKPQSA-N 425.525 4.805 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875084938 HYJAKMYFGHVVRI-IZZDOVSWSA-N 439.370 4.754 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)C2c3ccccc3Oc3ccccc32)c1 1891650437 FKAOWBVWPYGKPP-UHFFFAOYSA-N 440.543 4.969 30 10 IJEE O=C(NCC#CCN1CCCC1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 1891798310 DUCGPKYTBABIPH-UHFFFAOYSA-N 446.554 4.793 30 10 IJEE CC[C@@H]1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C 1996581204 ARNKNZOCQMMZTA-IIBYNOLFSA-N 436.557 4.996 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NC 2041174704 XVMGPBDXBSCNEH-DLBZAZTESA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC12CCC2 2063292976 RWKUMMBGXZJIFF-KOSHJBKYSA-N 449.592 4.618 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(F)(F)F)c(/C=N/O)c2I)cc1C 2079005873 RJTWYUCIZUSOGV-CUFAKQEUSA-N 437.203 4.541 30 10 IJEE COc1c2c(nc3c(-c4cc(C(F)(F)F)cc(F)n4)c(C(F)(F)F)nn13)CSC2 2081373485 PUOIAKOBGWMTSF-UHFFFAOYSA-N 438.328 4.723 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)c1cc(Br)cc(F)c1C#N 2118154325 YUFCKJCJUNRRQZ-BLLLJJGKSA-N 426.330 4.542 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3ccc(Cl)c(Br)c3)C2)OC1(C)C 2132684381 XTLOKIOYURNEOO-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3cc(Br)cnc3C#N)CCC[C@H]12 2167618382 QXDSLQBAMRQKNJ-FXAWDEMLSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(c2cccc(Br)c2C#N)C1 2174815331 RYMDFWVLQJIEDP-QAPCUYQASA-N 434.378 4.937 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)cc1Br 2181054533 YIIPKVWWCUEKLK-HNNXBMFYSA-N 438.366 4.836 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2ccc(Cl)c(Br)c2)C3)OC1(C)C 2194122025 YBGIEBSGHIDKCR-BFUOFWGJSA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2ccc(C#N)cc2Br)CCC12CCC2 2205739158 SVGUCLBEJKXIGB-MRXNPFEDSA-N 434.334 4.581 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2235725806 OIOWJTJELXOXFT-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC 2262198652 ANUVUAYCDDOPFD-OFVILXPXSA-N 447.572 4.657 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)[C@H]1C[C@@H](B3OC(C)(C)C(C)(C)O3)C1)CC2 2267564781 VREHLNMNXTUPFT-CALCHBBNSA-N 442.365 4.795 30 10 IJEE O[C@@H](C#Cc1ccc(Br)cc1)c1cc(Cl)ccc1I 2278813232 FNCZMXWHSGANNP-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C1(CCNC(=O)OC(C)(C)C)CCCC1 2296225873 ZTUUBNSTLKSPSC-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CCC[C@]1([C@@H](N)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296232992 SPHHFOJYJKYBPF-UGKGYDQZSA-N 435.406 4.945 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 2296295432 CWIDHFNKIBLVNY-NBCNXNJRSA-N 435.406 4.720 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)cc2)cc1 2296927890 GABOWALXTHBLET-HSZRJFAPSA-N 444.487 4.505 30 10 IJEE CCOc1cccc(C=C2Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccc(OC)cc1 2314527401 UWMUDYWJVXTUOT-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1 2321937182 RUKWCBUMMHCTMR-UHFFFAOYSA-N 426.516 4.763 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)cc1 2321968415 FARLGFPPTKKLTG-UHFFFAOYSA-N 441.531 4.896 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)N(CC)CC)cc1 2322552835 BTIHHTWKXQIESD-UHFFFAOYSA-N 445.943 4.891 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4)c3C)C2=O)c(OC)c1OC 2322662861 LKRWJXHKUFNVLA-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323190198 LKYSEDQKTSJWRC-UHFFFAOYSA-N 431.400 4.504 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323369624 INNDGYHNLOJAIR-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2323790967 XSBFTWSDJJGLOO-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c1OC 2323972098 NTDWFPCYDKZUDA-UHFFFAOYSA-N 436.485 4.920 30 10 IJEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OCCCO 2324352053 CPOIXZYUDZTBHQ-UHFFFAOYSA-N 427.497 4.884 30 10 IJEE CC(C)COC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2325063161 JUPIXOKGYOSEFO-UHFFFAOYSA-N 431.282 4.643 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)cc(C)c2C1=O 2325182781 MGPQOKUURXPZHD-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325264240 HJSMIAOVEXXJDO-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1OCC 2325716637 ROYVGTJCKXQTGB-UHFFFAOYSA-N 429.516 4.972 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C=Cc1ccc(C(C)C)cc1 2325951251 CULANJXNUHGVLY-UHFFFAOYSA-N 443.572 4.989 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2326619599 SJWQBUZJLUVIMX-UHFFFAOYSA-N 446.330 4.686 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)cc1 2328567523 AYTOFFRRCLFJKX-UHFFFAOYSA-N 447.539 4.976 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(CC)cc1 2329697926 USVYAWKEGSOOCL-UHFFFAOYSA-N 442.610 4.615 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)cc1)Nc1ccccc1 2331170191 DGBCFKFUUBADRA-UHFFFAOYSA-N 437.912 4.805 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 2360197024 CWIDHFNKIBLVNY-XWFZLUIHSA-N 435.406 4.720 30 10 IJEE CC#CCN(C[C@H](Cc1c(F)ccc(Br)c1F)NCC)C(=O)OC(C)(C)C 2363127789 OFTFNJVNEIOHAE-AWEZNQCLSA-N 445.348 4.508 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)CCc2ccc(OC)cc2Br)C1 2364872766 YVRSXCPIQAAPQH-SFHVURJKSA-N 440.378 4.612 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2366226704 IHSAPXKPWPBZIL-IPJJNNNSSA-N 433.390 4.568 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3cc4ccccc4oc3=O)cc(C)c2c1 12241030 MKVAYPKLSVCBDL-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)cc1OC 16960102 BPJXFVPKECEJRD-NRFANRHFSA-N 436.899 4.638 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4ccc(Cl)cc4)sc3C)cc21 19952001 OYAMHUALCADTFE-UHFFFAOYSA-N 439.924 4.936 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(SC)cc2)cc1OC 21256770 BEKXMDZMYDQKBZ-PKOBYXMFSA-N 437.561 4.820 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3c(OC)cccc3OC)c(OC)c2)cc1 34955435 XGEWHZJUAXSKRH-ZSOIEALJSA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 41285313 OCLRNNHDZSALPN-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 41652484 KKHPYMKEWBWPLX-OYKKKHCWSA-N 431.463 4.845 30 10 IJEE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CCCN(CCC#N)C1 62039377 ANXPKQBGWWKHOO-INIZCTEOSA-N 445.972 4.809 30 10 IJEE CCN(CC)c1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)cc1 98036683 QKSGMPBKCRYXNI-QRWLVFNGSA-N 434.565 4.981 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953039 GHALIAGPSUTKRH-XMMPIXPASA-N 442.515 4.853 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1ccccn1 169996249 KEDUCVFALMFVCX-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccnc2)s1 170013477 ZQOUWEQZUHQIDM-QGZVFWFLSA-N 448.529 4.548 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100631 FQFJXQWBVNMFMB-QFIPXVFZSA-N 431.444 4.716 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)c(C)c1 170122331 CMDTXFYDBANGGB-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1 170130364 FWIOJWBKDRIYNC-NRFANRHFSA-N 435.501 4.549 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(O)cc1 170132309 MLSLYOAQAQAJKX-JOCHJYFZSA-N 445.471 4.506 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(O)cc1 170133144 LRRILBCXVJDGOU-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccn2)cc1C 170172190 BAFHQIQXGKGFHY-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccnc1 170182995 AVOSJEIAFVBWKL-LJQANCHMSA-N 440.908 4.584 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)c(C)c1 170186931 QDOBIMAKNCGOAN-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccnc2)c1 170194254 ZIDALEHNRGXQRK-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)cc1 170248878 RFYOZNABYSEYBW-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)cc1C 170257019 CFOKMFCLRTVBHR-QFIPXVFZSA-N 449.528 4.858 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)c1 170264195 LACIIZOLDJADID-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccco2)ccc1OC(C)C 170295537 IRDNBTBQVWRVDK-QFIPXVFZSA-N 441.524 4.769 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)cc1 170428904 GWCDDXSWTHIQCD-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE N#CCCn1cc(CN2CCC[C@@H]2c2ccc(Br)cc2)c(-c2ccncc2)n1 435126889 SBLSCHXMFHOJAK-OAQYLSRUSA-N 436.357 4.958 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCCCO1 461840365 CAWGNCKOXBQAKR-QFIPXVFZSA-N 431.540 4.788 30 10 IJEE FC(F)n1ccc(CN2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 470537975 RLQTZJQIJOOJQY-AWEZNQCLSA-N 429.311 4.889 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)c1 526606036 BXGYIRDWMQEDKH-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(Oc2ccccc2Cl)CC1 533147562 GROXTSOAFAXUTD-GOSISDBHSA-N 441.959 4.527 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1cc(C)on1 549666300 RNJPUHRBBPHOSV-UHFFFAOYSA-N 436.741 4.870 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 554618573 UINQGRVGEMYCDU-JOCHJYFZSA-N 429.524 4.685 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 569835614 WQUZPCDQRDNVDH-UHFFFAOYSA-N 432.524 4.574 30 10 IJEE N#Cc1ccc(CN(c2ccccc2F)S(=O)(=O)c2ccc(Br)cc2)cc1 586207309 ZLBNCSNFEJTOMR-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc(OC(C)C)cc3)CC2)cc1C 586508622 LCAPBNBPTIJTSN-UHFFFAOYSA-N 445.581 4.537 30 10 IJEE N#Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 609446403 GFGQLYRICVJJKR-NRFANRHFSA-N 436.581 4.949 30 10 IJEE C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCC4)nnc1-c1ccccc1F 645077284 DUCJNTGDVCSSKY-UHFFFAOYSA-N 439.541 4.762 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 669815816 BIDACPPIXGWKJB-OEMFJLHTSA-N 430.552 4.744 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 699582260 KXQJCQYIVNODMW-CYFREDJKSA-N 445.560 4.655 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1ccc(Br)cc1F)C2 712705031 LQUKONQIOTVAEP-HOTGVXAUSA-N 426.326 4.878 30 10 IJEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(Cc1ccccc1)C(=O)OC(C)(C)C 716119597 FWWNYZFALAARKH-DEOSSOPVSA-N 429.561 4.963 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@@H](C)c3cccs3)N(CC)C2=O)cc1 726419122 CRFPOLMRBHLQCU-NTALULDUSA-N 431.583 4.557 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1=S 728286309 SMPLQSQYUXDAGT-IBGZPJMESA-N 438.528 4.929 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1c(C)cccc1C 733198357 VZNNNYHGGIDMCU-LJQANCHMSA-N 441.503 4.565 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN(C)Cc2nc3c(s2)CCCC3)c1=S 747474667 PBYKHHMITSETDM-UHFFFAOYSA-N 425.627 4.616 30 10 IJEE C#CCN(Cc1ncc(Br)s1)[C@@H]1CCOc2ccc(Br)cc21 783471404 NFKJMZYOSUQHLU-CYBMUJFWSA-N 442.176 4.627 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 800776872 FEGCSBNJNRFLHY-UHFFFAOYSA-N 427.552 4.951 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 804452239 DEYINIPRUVPJLH-DEOSSOPVSA-N 436.511 4.978 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(F)cc1 916210320 AZXIOAAGEKFZGX-GOSISDBHSA-N 447.919 4.634 30 10 IJEE C[C@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)c1ccc(F)c(Cl)c1 918894919 VLHVYXLUDHQRRF-QMMMGPOBSA-N 434.798 4.867 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccccc1SC(C)C 923846308 AHCCSKJXSXHSSD-QGZVFWFLSA-N 426.538 4.688 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2nc(NC(=O)OCC)sc2c1 1125439221 LXZCHJZCXWYJST-UHFFFAOYSA-N 427.482 4.690 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2cccc(C)c2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1128112306 QUXFGPHFTGHASA-QHCPKHFHSA-N 448.588 4.850 30 10 IJEE CC(C)(C)c1cc(NC(=O)CCc2nc(-c3ccsc3)no2)n(-c2ccc(C#N)cc2)n1 1128921292 GUAZVIWVESKJNO-UHFFFAOYSA-N 446.536 4.724 30 10 IJEE N#Cc1cc(F)cc(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 1132445226 BNXAGHFMKOVXSI-UHFFFAOYSA-N 436.283 4.832 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Br)cc1O 1142766630 CBAYQEVIGXUWDP-LLVKDONJSA-N 427.220 4.728 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1153313956 XOLZFFJBGAMMDM-CQSZACIVSA-N 440.443 4.822 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)cc1OC 1160762945 QXZYEJIDLFTVHD-UHFFFAOYSA-N 440.503 4.819 30 10 IJEE O=C(CCc1nc(O)c2c3c(sc2n1)CCC3)N(O)Cc1cc(Cl)cc(Cl)c1 1161784516 MMUWFCALDYIMBQ-UHFFFAOYSA-N 438.336 4.543 30 10 IJEE CCCCc1ccc(C(=O)CCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1164154952 GOAFQXFOINKYPH-UHFFFAOYSA-N 431.580 4.645 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(Br)cc2OC(F)(F)F)cc1F 1204647631 AJPCAIWFYMQXHR-UHFFFAOYSA-N 432.171 4.680 30 10 IJEE C#CCN(Cc1ccc(C(=O)OC)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1204924636 YUUSCYMNEUAWIV-HXUWFJFHSA-N 428.326 4.503 30 10 IJEE CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Nc1nc(Cl)c(C#N)s1 1206135803 BBVJNZBJROEAEN-JTQLQIEISA-N 425.739 4.799 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)cc1 1215273405 IUOZCBMGQPONMN-HXUWFJFHSA-N 427.342 4.994 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1228700920 BGVKZSWFHPTAAX-YJMBLLCNSA-N 449.636 4.615 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@]1(c2ccccc2)CCCO1 1251202630 ZQKYLPNBMHDZDY-QFIPXVFZSA-N 447.348 4.992 30 10 IJEE CN(Cc1cccc(Cl)c1Cl)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1252506711 FDTVCJMVWKTMNW-UHFFFAOYSA-N 431.367 4.671 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)ccc1I 1252907726 JBAATOAOPVFHRU-BLLLJJGKSA-N 432.733 4.879 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C#N)cc1F)c1ccc2c(c1)OCO2 1264077924 WVGJWGUOPBORHI-UHFFFAOYSA-N 430.435 4.838 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1264434299 FGPUDAVYPRIQHW-UHFFFAOYSA-N 432.833 4.747 30 10 IJEE C#CCN(C(=O)/C(C)=C\c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1265210990 YDXRXBVIAMNKRF-AFRXXKALSA-N 428.301 4.977 30 10 IJEE C#CCN(C(=O)/C(C)=C/c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1265210991 YDXRXBVIAMNKRF-GUCAUAJOSA-N 428.301 4.977 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](SC)C1 1286336334 IYLWAGFGZRSKDC-JOCHJYFZSA-N 426.630 4.999 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@H](C)C1 1286433699 JEVCZVAETCKSBV-DHIUTWEWSA-N 448.611 4.567 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(C)C)C1 1286496601 GXKLMXVDGYTSBT-KRWDZBQOSA-N 433.419 4.556 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1286586052 UUIWIFMYHMINNN-YYWHXJBOSA-N 428.552 4.917 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(Br)ccc2OC)CC1 1286645346 BGERQQANALHYRN-UHFFFAOYSA-N 433.394 4.843 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1286652560 ZARQDIDELZIJKY-LJQANCHMSA-N 431.625 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCSC2(CCOCC2)C1 1286667167 HZXQYPTUVIAPMS-UHFFFAOYSA-N 426.630 4.958 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(C)C)CC1 1286686778 JLSXXXATIQXCMH-UHFFFAOYSA-N 434.588 4.734 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)CC1 1286695014 MGLUPILXUKPVBC-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(SC)CCOCC1)C1CC1 1286732464 TZVWIMVCZPNWOS-KRWDZBQOSA-N 446.592 4.624 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCCC1)C1CC1 1286735231 RUOOQMKXXSZKEP-UHFFFAOYSA-N 444.421 4.657 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1Cc1nc(C(C)(C)C)cs1 1286765231 APQPKZYYJYGQJD-UHFFFAOYSA-N 425.602 4.861 30 10 IJEE CC[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](CC(C)C)N(C)C 1291480573 DVMAIYOVLHSHAR-RDPSFJRHSA-N 434.632 4.933 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1295636099 CQYIRSDITKBEPI-UNMCSNQZSA-N 435.597 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)CN1CCCC1 1300809041 RGEQSTIELWRSSO-RUZDIDTESA-N 440.035 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)CC)n1Cc1ccc(I)cc1 1300899609 HFFCMPAKFXFCQR-OAHLLOKOSA-N 438.357 4.847 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301055174 GJSQTGOHDXEHNT-SFHVURJKSA-N 433.021 4.763 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[S@@](=O)CC)CC1 1301069891 HDGYFWBPFMTSLO-NDEPHWFRSA-N 435.018 4.738 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(COC)CCC2)CC1 1301096763 DJOTYHKDPJZGQQ-UHFFFAOYSA-N 428.602 4.552 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1301207644 BUVBXJRQXWBVHB-UHFFFAOYSA-N 445.615 4.714 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)C(C)C 1301367996 WSSRGERIWLNLEG-DHIUTWEWSA-N 443.680 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC12CCOCC2 1301375469 NUCQMEJHRWHKCO-SFHVURJKSA-N 443.389 4.703 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)N2CCC(C)CC2)C1 1301543513 ZQVQSMXHIYXRFB-SIKLNZKXSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1301601694 SWWJEBXBKOMDLI-IBGZPJMESA-N 442.629 4.551 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 1309145194 MOQHURYJXCTWMX-UHFFFAOYSA-N 437.464 4.865 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1 1310196982 ZWSYTCDWHRITHC-NHCUHLMSSA-N 425.479 4.671 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCCc2cc(Cl)ccc2OCC)cc1C#N 1310458067 BKOXUZWTMRDCSW-UHFFFAOYSA-N 430.892 4.543 30 10 IJEE C=CCC[C@H](NC(=O)NCCC(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cc1 1311646284 UKAKFTTZCCOMOL-IBGZPJMESA-N 425.495 4.851 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1316397537 FJWQNFJRFDESFK-JXFKEZNVSA-N 429.634 4.848 30 10 IJEE Cc1c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)nnn1Cc1ccc(C(F)(F)F)cc1 1322728620 BIQGANHOZKPNDJ-ZDUSSCGKSA-N 444.417 4.589 30 10 IJEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)CCCCC1 1348273280 VXJKFYOCKMXTMC-UHFFFAOYSA-N 446.657 4.588 30 10 IJEE C=CCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)cs1 1351451681 VRSKRJGQEXGJRO-SFHVURJKSA-N 445.585 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](c1cccnc1)C(C)C 1358887598 ZPKQCHXPXYFTES-SIKLNZKXSA-N 440.551 4.893 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)(C)C)CC1 1358916334 IKQJQPLODCHCSY-UHFFFAOYSA-N 437.632 4.588 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1358936374 LYUSOSTWGWZLNS-BZLDKRAPSA-N 439.431 4.630 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1sccc1C 1358942980 RBWKWMSIHJRRQM-UHFFFAOYSA-N 432.549 4.799 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(CC1CC1)C1CCCCC1 1359059067 ZVVWXGGFMIKSMD-UHFFFAOYSA-N 426.605 4.924 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCCN1CCCC[C@H]1C 1359071709 ZYXLPFAHOPOCFM-QFQXNSOFSA-N 437.607 4.655 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2CN(C)C(C)C)CC1 1359176611 HKXHCWBFRHPSRW-UHFFFAOYSA-N 432.616 4.575 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 1359200043 QNRHJMUODBFAHZ-OAQYLSRUSA-N 437.371 4.604 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CC(C)(C)OC(C)(C)C2)nnc1C(C)(C)C)C(C)C 1359265590 INTKCUBLJNGOGK-FQEVSTJZSA-N 431.669 4.668 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1359311399 ZOOUFMKAXCKHEJ-GOSISDBHSA-N 438.597 4.547 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)SC)C1 1359313309 JWVVDBUMQDNLQH-MISYRCLQSA-N 430.618 4.568 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 1435165050 GSDLZTKRUCGBEO-UHFFFAOYSA-N 427.479 4.973 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(F)F 1443551864 UVXAGZOYTXLJAF-OAQYLSRUSA-N 428.479 4.583 30 10 IJEE C#CCOc1ccc(NC(=O)C[C@H](C)CCc2ccc(I)cc2)cc1 1456315832 SQSZXWQRLSZJTD-MRXNPFEDSA-N 447.316 4.901 30 10 IJEE CC(C)C[C@H](C)Oc1cc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)ccn1 1456641134 GWVZQQSBTLUZPV-SFHVURJKSA-N 433.508 4.869 30 10 IJEE N#Cc1cc(NC(=O)c2cc3n(n2)CCCC3=O)ccc1Oc1ccc(C(F)(F)F)cc1 1457024083 FANAYVPCPMOUPA-UHFFFAOYSA-N 440.381 4.795 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](C)c2cc(Cl)ccc2OC(F)F)c(OC)c1 1458503536 ZQXIADBKNDXSPT-ZDUSSCGKSA-N 425.859 4.935 30 10 IJEE COc1ccc([C@H]2CCCCCN2C(=O)COc2cc(Br)ccc2C#N)cc1 1459109176 BYOGVQPZLWIZAW-HXUWFJFHSA-N 443.341 4.852 30 10 IJEE Cn1c(=O)n(CC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)c2ccccc21 1460968853 HHKUKKHUIYKFOI-UHFFFAOYSA-N 448.935 4.655 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1c(F)cc(I)cc1F 1466843387 KWESZANUTTWDNF-CQSZACIVSA-N 442.247 4.878 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)c(OC)c1 1469556710 MSGWYRAQOGDUKY-UHFFFAOYSA-N 448.342 4.655 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1470357357 GXPYFVGZMHNIBR-LPHOPBHVSA-N 440.506 4.792 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)CCOCC1 1476201627 OKSBOPUYJPBVKP-UHFFFAOYSA-N 443.341 4.722 30 10 IJEE C=CCC1(CNC(=O)NCC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCCC1 1478629297 FYTBJXVXHJSDQJ-OAQYLSRUSA-N 429.605 4.948 30 10 IJEE CS[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)(C)C 1505177548 GODJWQGCNRFZOJ-LJQANCHMSA-N 441.645 4.988 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C(C)C)cs1 1507517699 RCRIRLGPAMVDDM-HOTGVXAUSA-N 427.549 4.643 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCC1(F)F 1507660425 TUVJDSYDAZVALA-MOPGFXCFSA-N 444.501 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(C(F)(F)F)cc1 1507773939 OAOIOUWAYAABML-OAQYLSRUSA-N 430.499 4.990 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OCC)C1 1507779729 GKCQXLDIRTYGNI-AWEZNQCLSA-N 443.748 4.652 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@H](C)C1 1507794307 HJWFHTYEESPPFH-NOXFTYBFSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1ccco1)N1CCCC1 1507819134 OFONZMQVAFKIKN-QFIPXVFZSA-N 435.572 4.786 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1507837733 FBYCRXRCAHOGFZ-XLIONFOSSA-N 445.405 4.988 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1507945014 ZHDFDDDSZKAFAE-UWJYYQICSA-N 438.551 4.771 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 1507965422 FPVDQPBASPAOCB-DNVJHFABSA-N 438.616 4.783 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1cccc(C)n1 1507969515 CBZIPQVOXNBDIG-UHFFFAOYSA-N 430.581 4.945 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1CCc1ccc(Br)s1)C1CC1 1507990650 RWLJUTGACFGXQF-UHFFFAOYSA-N 432.391 4.505 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1c(F)cccc1F 1508007195 VFNRPNNNXALCPF-UHFFFAOYSA-N 438.507 4.510 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@@H]1C 1508026398 UREHOKPGXMILFA-NBGIEHNGSA-N 436.625 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1508027669 MTFNAHQWYXXFAJ-SJORKVTESA-N 446.477 4.857 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 1521577723 CLTBNTAWNUNYLN-FQEVSTJZSA-N 434.319 4.906 30 10 IJEE CC#CCCCC(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1523435429 DMJUJTULSBGGGQ-PKTZIBPZSA-N 426.601 4.945 30 10 IJEE Cc1cc(Br)ccc1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1524260881 FYCSENNWPJXOIC-UHFFFAOYSA-N 426.339 4.858 30 10 IJEE C=CCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc(OC)c1OC 1525382746 PKQQSOYIMSUYES-UHFFFAOYSA-N 429.538 4.802 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cn1c(C)nc2cc(F)c(F)cc21 1528006939 WROYGBOEENUWQY-UHFFFAOYSA-N 436.256 4.589 30 10 IJEE C#C[C@H](C)NC(=O)c1cc(/C=C/c2cccc(OC)c2)nc2ccc(Br)cc12 1528047587 MDAKJGZIXKYXEX-HQPKTYMTSA-N 435.321 4.928 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 1531923294 OWARKPYPRBGWMG-QFBILLFUSA-N 433.474 4.942 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12)C1CCOCC1 1533500544 IZFHOMSYIZRDOX-GOSISDBHSA-N 437.590 4.618 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](C(C)C)C2CC2)ccc1Cl 1533566338 BWGIFXUSZHRFHM-JOCHJYFZSA-N 447.000 4.886 30 10 IJEE C[C@H](NC(=O)Cn1nc(C(F)F)cc1C(F)F)c1ccc(OCC(F)(F)F)cc1 1534929633 CWUKGEFWBRBAIJ-VIFPVBQESA-N 427.320 4.577 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 1537884266 GLMCOAKJLCMCMW-IBGZPJMESA-N 437.565 4.839 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1ccc(C)cc1 1538973465 MQOZNJSABKNGEF-JKSUJKDBSA-N 426.362 4.606 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1538992480 RWULCDXATMGOCA-DYESRHJHSA-N 444.645 4.978 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1539052929 KDOOUMIWPOAMSC-YADHBBJMSA-N 449.624 4.966 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCC[C@@H]21 1539065501 HBQILHUJBUIZOB-HBMCJLEFSA-N 441.620 4.575 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 1539135878 QNZUJXSSVDVIJL-UHFFFAOYSA-N 427.456 4.888 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539623678 NOMQVMPCLYHQTH-LFEHRJTNSA-N 438.469 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(O)c1 1539654625 CDOZIYXTZOIIKU-UHFFFAOYSA-N 433.375 4.925 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539894766 UAANFUKCSIAXHR-QGZVFWFLSA-N 445.633 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1539910478 XDGNTJIJNKGFRY-UHFFFAOYSA-N 446.624 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1539911213 YFTMMHGCICUPOE-LJQANCHMSA-N 433.556 4.609 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1539963468 UXFNQJZYQAWKHJ-HXUWFJFHSA-N 427.637 4.767 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cc(Cl)ccn1 1540028659 RDZWGZJDPVIFOW-UHFFFAOYSA-N 448.958 4.771 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CC1(C(N)=O)CCCC1 1540140922 WTLBYJPOVLEIGA-UHFFFAOYSA-N 435.597 4.553 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)CC[C@H]1C 1540910021 VETYLIIIVNYXFP-LSDHHAIUSA-N 438.439 4.590 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CCCC2CCOCC2)c1C 1542029347 CTAMUDGHHXUWSC-PZJWPPBQSA-N 439.604 4.980 30 10 IJEE C=CCN(CCc1ccco1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 1546210286 MWOQCYHKTOEVSD-UHFFFAOYSA-N 444.531 4.766 30 10 IJEE CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1)c1c(F)cccc1F 1552753414 ACYBVDRZANNNKV-HXUWFJFHSA-N 444.574 4.578 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 1557540628 VJRXFTWEENLJDC-HOCLYGCPSA-N 427.463 4.710 30 10 IJEE C#CCN(C(=O)c1cncc(-c2cccc(C)c2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370066 HKPSNBVRGVVSGW-UHFFFAOYSA-N 433.552 4.532 30 10 IJEE N#Cc1cc(F)c(N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)cc1Br 1559090498 CBYYILAEVRIXJP-UHFFFAOYSA-N 426.293 4.629 30 10 IJEE C=C(C)COCCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1566365123 NTIBTSPNXCNZDQ-UHFFFAOYSA-N 448.563 4.547 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C(\CC)c2ccc(C)cc2)n1 1584411971 INAFMIAGQFVYPU-RVDMUPIBSA-N 425.583 4.541 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccccc2C)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1585016596 WQNDQAVDNXWFGG-QFIPXVFZSA-N 434.561 4.921 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC[C@@H](OCC)C1CCCC1 1588099496 ONMLQWBIYRXOEE-JOCHJYFZSA-N 430.552 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@](C)(O)[C@H](C)CC 1589251670 QNUOVUIWPZVHPZ-FOVJLYNBSA-N 426.630 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCn1cccn1 1589506012 QOAHCGGWZMAWKV-GGAORHGYSA-N 448.615 4.557 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC 1589506662 ZIYDNBRBVZWUOL-IEBWSBKVSA-N 433.394 4.843 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1593600677 ZUYDWKGIAZBPEK-DLBZAZTESA-N 447.986 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1594036717 WNGYPQFYFCGPRP-CYFREDJKSA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1594511898 XOTUHCAYGCKDJM-XMMPIXPASA-N 440.588 4.770 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1)c1ccccc1 1594552172 IWCGKFBOVMDTHA-OAQYLSRUSA-N 449.624 4.533 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1594552608 PBOUFIPGWAENIJ-VWPQPMDRSA-N 433.625 4.954 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1594608945 ZDKZDXAPAGWEDB-FYYLOGMGSA-N 432.572 4.696 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C2CCOCC2)C1 1594767050 MYXJRAXDCGPGST-HXUWFJFHSA-N 442.629 4.798 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1595901117 PVWRVNKBAZVDPI-UYAOXDASSA-N 425.602 4.663 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc(-c3nc4ccc(C)nc4[nH]3)c2)c(OC)c1 1597583163 WGXNBZAIFKKBBY-UHFFFAOYSA-N 428.492 4.688 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCOCC1 1611896786 GOPSCHPBNQCOBF-MAUKXSAKSA-N 445.995 4.711 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(C)(C)C)C[C@@H](C(F)(F)F)O1 1612916423 AJNYGMKFWIVRFR-YJBOKZPZSA-N 435.494 4.799 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3cccc(F)c3)C2=O)nc2sc(C)c(C)c2c1=O 1613270086 XZQCDAWRPBTHOQ-QGZVFWFLSA-N 443.569 4.688 30 10 IJEE CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1cc(Cl)cc(C#N)c1 1613833966 FPRXPRLDMGBLOL-UHFFFAOYSA-N 430.869 4.727 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cn(C)c2cc(Cl)ccc12 1616354968 MZPRTCRHHVVHIV-QGZVFWFLSA-N 440.371 4.526 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cn(-c2ccccc2C)nc1-c1ccc(CC)cc1 1618808254 ZNCRQPKIPYMDQE-UHFFFAOYSA-N 430.596 4.990 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@]2(C)Cc2cccc3ccccc23)c1 1620444373 AXIGQEQVAYDYDO-MHZLTWQESA-N 425.532 4.566 30 10 IJEE CC1(c2ccc(Cl)cc2)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 1622105072 CNEGBMYNOSVJMC-UHFFFAOYSA-N 442.890 4.973 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 1624576816 BUJNQCMHWYXNGK-LJQANCHMSA-N 440.931 4.625 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 1626487495 PQAMIJLDKNRNDD-UHFFFAOYSA-N 443.519 4.757 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)C1 1628821243 YFWOVODAKCDSLE-CRAIPNDOSA-N 437.378 4.830 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Cc1ccc(Br)c(Br)c1 1629090674 KBTOOWCUAIKARK-UHFFFAOYSA-N 441.094 4.544 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H](C)c3sc(C(C)C)nc3C)n[nH]2)c1C 1633132062 VFFOIQPDSBCUPI-INIZCTEOSA-N 426.590 4.798 30 10 IJEE C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 1638028532 FFTMKTQKEVPNPJ-SFTDATJTSA-N 428.532 4.764 30 10 IJEE N#C[C@@H](CCc1ccccc1)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 1639215767 IDLIAVVFVLWXTH-MRXNPFEDSA-N 430.455 4.859 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC(CC3CC3)C2)ccc1Cl 1641240998 NIPIQYKRWJUEMA-UHFFFAOYSA-N 444.984 4.593 30 10 IJEE C=C(CC(C)C)C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1645592527 COQLVLROMHNAEZ-UHFFFAOYSA-N 428.573 4.780 30 10 IJEE C[C@@H](CC#N)NCC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 1646522689 DQTSIOBFBKYTGR-INIZCTEOSA-N 437.609 4.986 30 10 IJEE C#CCN(C(=O)c1cccc(-c2ccccn2)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1651973138 GBCTZANJTNXYJB-UHFFFAOYSA-N 433.552 4.532 30 10 IJEE Cc1ccccc1SC[C@H](C)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1654990711 IEPJAVPKVWASLQ-LJQANCHMSA-N 431.609 4.807 30 10 IJEE C[C@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1654998752 ALHUSEHCRYUYEQ-SNVBAGLBSA-N 429.357 4.945 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1c(C)sc(C)c1Br 1657143429 NJROONWMWSZAFQ-KRWDZBQOSA-N 438.412 4.829 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccc(C(F)(F)F)cc1 1661028760 IMLNTSSXOHKVLE-KRWDZBQOSA-N 445.434 4.617 30 10 IJEE CCOc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C(C)C)cc1OCC 1661173518 HPOYJINNAPSABW-NRFANRHFSA-N 436.961 4.685 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 1664989453 GKJKKNCMUPUPLK-UZUQRXQVSA-N 431.964 4.870 30 10 IJEE COc1cccc([C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)OC)c1 1666204531 ACXBYLYJLQPMLB-VWLOTQADSA-N 445.519 4.849 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-c2nc(C)no2)nc1 1670133216 SFYQEZXODIINNI-UHFFFAOYSA-N 446.280 4.562 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccc(F)c(F)c1 1671851573 GNJVBHFMGWXMRF-MOPGFXCFSA-N 444.400 4.904 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 1673018487 ODCARLWFOCKZCK-UHFFFAOYSA-N 441.597 4.780 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1c1cccc(Br)c1)C(C)C 1674145755 QOAJFFPKZGRQFW-LEWJYISDSA-N 434.422 4.994 30 10 IJEE CC(C)(C)OC(=O)NCC1(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCCC1 1674934284 AWLNSKNVOKETMM-UHFFFAOYSA-N 426.439 4.536 30 10 IJEE C=C1CCC(CNC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)CC1 1675872719 UIMSLQXYJJOZOP-PZJWPPBQSA-N 431.552 4.574 30 10 IJEE C=CC[C@@H](CO)NC(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1678890102 NWKQVTTUEKCMKZ-FXAWDEMLSA-N 447.373 4.715 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 1679539053 SQWXQTJKHLRONC-RLLQIKCJSA-N 431.374 4.886 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1cc(C)c(OCc2ccccc2C)c(C)c1)[C@@H]1CCCO1 1680313827 BCJTVGIDSFPPNF-DQEYMECFSA-N 434.580 4.903 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](c1ccco1)N1CCCC1 1689829440 YKPUFYDHNGKAQA-WWNPGLIZSA-N 431.584 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCn2cc(C)nc21 1689829445 YMHDDXIGEULMRW-BVSLBCMMSA-N 446.599 4.575 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C(F)(F)F 1690097064 AKCRSOUCVSGKAV-UHFFFAOYSA-N 449.304 4.926 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690159447 AYZTXBRHIZVLHZ-OAHLLOKOSA-N 428.911 4.744 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1690300774 KITAWSBXHXKYAP-URXFXBBRSA-N 426.630 4.746 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690454181 WTFIVHIIVFPNCH-FQEVSTJZSA-N 444.023 4.503 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690500315 QZIMORAIAHDICT-OAQYLSRUSA-N 440.979 4.538 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@](C)(O)c1cccs1)C1CC1 1690537048 JIVORUZTGNLLKD-QMHKHESXSA-N 442.560 4.681 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1Cc1ccnc(OC2CCCC2)c1 1690553787 HRURGMZZVFWBGA-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1)OC 1694277341 FKEWWNUUAVQWOS-DHIUTWEWSA-N 439.604 4.519 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC2CC(C)(C)C2)cc1 1696133891 ANGGMAOXDDZOAP-MSOLQXFVSA-N 425.577 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705484636 SLRJWJWNEOSDFE-TWJGEFDFSA-N 433.383 4.651 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(NC(C)C)CC1 1705527038 QNYGJKDBVMQODH-GOSISDBHSA-N 425.646 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1705672644 DRSPXKLUUHELEB-RQNQAMLKSA-N 435.616 4.641 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705701907 JOXFNOKWHQKVHG-UWJYYQICSA-N 447.027 4.539 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC[S@@](=O)C(C)(C)C 1705711596 AEMLJLKTBLGVLK-MUUNZHRXSA-N 426.989 4.687 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCSCc2ccccc2F)CC1 1705770817 VRNJWFAPBQPZBP-UHFFFAOYSA-N 443.617 4.863 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1705777981 WSNYYECHMKDWHD-IBVKSMDESA-N 432.616 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1705788085 ORWZWCGFDQCNIV-UHFFFAOYSA-N 429.572 4.537 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705812068 QMAFSJNXLCZACB-LEWJYISDSA-N 434.588 4.729 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1-n1cccn1 1705871733 VPFHOJQQHYDWOI-UHFFFAOYSA-N 449.921 4.545 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1705887643 RYXZVXQSDADNEC-UHFFFAOYSA-N 434.563 4.679 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2cccc(OC)c2)C1 1705926665 IOHBVHBAYWCXQM-HSZRJFAPSA-N 438.616 4.779 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)c(C)n1 1709634678 FGWWXRDINZMTLH-HNNXBMFYSA-N 443.958 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCO[C@H]1CCCC[C@@H]1C 1722293466 RSPYPEGIRTWTSY-IPJJNNNSSA-N 433.556 4.653 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)Oc1ccccc1C 1722345918 KEOUSQACYWDVIV-IEBWSBKVSA-N 434.609 4.977 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(C)cc(OC)c1 1722379710 LJRFIYCNHAUXQE-UHFFFAOYSA-N 444.604 4.714 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCSc1nccs1 1722405690 PIQSQWUIGLQIQK-UHFFFAOYSA-N 448.621 4.900 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1722450965 DUBNASZZVYBZSN-WSTZPKSXSA-N 430.593 4.939 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1722494349 LZBUFMSLJWPAHX-XKGZKEIXSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1cn2ccccc2n1 1722502536 VMHIFBSMEXWZLU-IBGZPJMESA-N 448.546 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)C/C(C)=C\c1ccccc1 1722505904 BELBSRUGKQYXAW-LRHFILFSSA-N 443.595 4.785 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1722524564 BWPZUPRNTGLEOX-UHFFFAOYSA-N 444.023 4.789 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1722528326 YPHFTSSUYVIKRH-SFHVURJKSA-N 439.373 4.904 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)CC1 1722537737 FEGMRTWKCUKXKF-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCCSC 1722544499 IYXXWYNPZNHUAT-UHFFFAOYSA-N 429.815 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H](C)c1nccs1 1722545972 DMVDZLYDBUFENF-AWEZNQCLSA-N 439.976 4.784 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1722722444 OGUGHYXWJCMWLT-WOJBJXKFSA-N 448.608 4.555 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1722737584 LLCBHILGSLOYTE-MRXNPFEDSA-N 431.556 4.838 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCCS1 1740557092 KSLRXBYAIJWNPE-JLTOFOAXSA-N 439.412 4.908 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOC1CCCCC1 1740663126 ZNXJGHMLXWIDSA-UHFFFAOYSA-N 432.572 4.534 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCCC2(C)C)CC1 1740842740 KNQVNWVHYLOYQH-UMEGOILYSA-N 430.637 4.540 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1740846923 QQQDSTYWAAIMDU-XMMPIXPASA-N 442.629 4.898 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCCC[C@H](SC)C2)nnc1C(C)(C)C)C(C)C 1740926693 JCGBSALKAPSVDH-SFTDATJTSA-N 433.710 4.996 30 10 IJEE COc1cc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)ccc1Cl 1748528984 GJGTWEXNDNIPAC-WMZHIEFXSA-N 443.979 4.554 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1748725061 QZPMRQWEHFBWGZ-IBGZPJMESA-N 434.506 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1cccnc1)C(C)C 1748895409 YSBFHZJQZQWZSY-DEOSSOPVSA-N 445.998 4.820 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCc2cc(OC)ccc21 1749162080 IXDCWTDLXQBDKG-NRFANRHFSA-N 431.584 4.795 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749280253 FRAUCSSOJZOTMS-QGZVFWFLSA-N 444.023 4.537 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1749299771 XNEZYCNSNQQDNG-IBGZPJMESA-N 442.336 4.970 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCCN(C(=O)OCC(C)C)CC1)c1ccccc1 1749384424 BISPOFXDFKDPGV-QFIPXVFZSA-N 439.604 4.505 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(F)(F)F 1749585258 ZFBQRLHCWKJYFS-IBGZPJMESA-N 436.522 4.996 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(SC)CCC2)C1 1749698268 SGQBRNZRBRRMCV-PXNSSMCTSA-N 446.592 4.624 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749745016 TWIXMVIECJKBBR-VCOUNFBDSA-N 444.645 4.815 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)CCC1 1750265548 CJUZAPURUYIQKH-ROUUACIJSA-N 425.602 4.639 30 10 IJEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1nccs1 1751121199 AVEPWEGYOIQKOC-RHSMWYFYSA-N 446.502 4.856 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCSC2)c1C 1751317525 FEXIZPCVMYVDJJ-QUCCMNQESA-N 425.602 4.528 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@@H](C)C1 1760243517 MXJDPSHWDDNSOU-ICSRJNTNSA-N 438.572 4.524 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1760348845 OCVCRFWWUBROER-HBHQLVLNSA-N 444.645 4.708 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nnc(C)s1 1760419553 VHJWEPIFNXDXMQ-UHFFFAOYSA-N 435.601 4.828 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1760429119 RUAIKUPCHPUDLH-UHFFFAOYSA-N 449.624 4.686 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1CC(F)(F)Br 1760478144 XBVIFPLCAOSXJK-CQSZACIVSA-N 443.336 4.981 30 10 IJEE COCCC1(Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@@H](C)CC#N)CCCC1 1770998066 BXJKYPRWOXLTKU-FQEVSTJZSA-N 434.588 4.616 30 10 IJEE O=S(=O)(c1cccc(-c2csc(NN=Cc3ccccc3)n2)c1)N1CCCCCC1 1772724004 OACUYXOCPLKNSQ-UHFFFAOYSA-N 440.594 4.821 30 10 IJEE CC(C)(C)c1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)CCCC4)n2)cc1 1857806662 HPNMDLSIIHVUFV-DICXZTSXSA-N 431.609 4.883 30 10 IJEE N#Cc1ccccc1NC(=O)c1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)n2ccccc12 1858242998 KVRKWZAYHYINOK-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)CCn3ccc4ccccc43)cc2)c1 1858913029 NGZCXKZBBMWLJZ-UHFFFAOYSA-N 438.487 4.830 30 10 IJEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 1860578594 JSKUYLPLLWSJSH-UHFFFAOYSA-N 427.504 4.727 30 10 IJEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1)c1ccccc1 1860947871 PTJWTANDKKILSL-QFIPXVFZSA-N 444.922 4.657 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1cccn(CCC)c1=O 1861282747 SCBUYZTUSZRWSE-QFIPXVFZSA-N 433.637 4.660 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)n(-c2cccc(Cl)c2)n1 1862364584 XRZAYOXIZMIXNT-UHFFFAOYSA-N 435.911 4.778 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(Cl)cc2)cc1 1862392313 UOSFBSIIIOHDMX-OAQYLSRUSA-N 427.928 4.907 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862394865 QZTYLIMXXNZSGM-HXUWFJFHSA-N 448.346 4.907 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862475128 DYOPOQQTXSGAPI-DEOSSOPVSA-N 427.500 4.961 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862518018 AIRNJOZGQOLKMJ-IVZQSRNASA-N 439.508 4.566 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(O)c1 1862523608 LDARAKNEJKIHAO-IBGZPJMESA-N 444.325 4.779 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862536970 LADUDDATZMESBV-JOCHJYFZSA-N 435.520 4.804 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(=O)OC)cc1 1862549247 LGNJOEOQKSLHRL-MWTRTKDXSA-N 447.531 4.729 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc2ccccc12 1862549431 OWLRXMRSSNWLFM-SSOJOUAXSA-N 441.527 4.678 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1c(F)cccc1Cl 1862609778 VIKPGCUUEYACPY-ODXCJYRJSA-N 445.874 4.627 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862615984 NTWQMQTZOLQPLZ-NRFANRHFSA-N 425.500 4.738 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2F)cc1F 1862639269 UVSURKUIHYUMAP-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862672373 BNSWDRKENCGVHK-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862674473 YAGUGGGLEMDYPC-QFIPXVFZSA-N 437.417 4.925 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)cc2)cc1 1862688404 WBNDOGMCLGVTGO-HSZRJFAPSA-N 433.504 4.870 30 10 IJEE C[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866772027 KRLZGVYWOWVCTM-WAIKUNEKSA-N 433.458 4.502 30 10 IJEE COc1cccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCc4nc[nH]c4[C@@H]3C)n2)c1 1868495208 GNTSZONXCAMDIP-INIZCTEOSA-N 437.507 4.614 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)n(-c2ccccc2)n1 1870001640 NCLFBODBFNDYGB-HXUWFJFHSA-N 445.567 4.975 30 10 IJEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)/C(=C\c1ccc(OC)cc1)c1ccccc1 1870142258 IZBKCSCWWDVVMJ-QJOMJCCJSA-N 449.514 4.889 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1871007259 SODKFFBRGFQENJ-UHFFFAOYSA-N 446.547 4.627 30 10 IJEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc(C(C)C)cc2)cc1=O 1871009481 YDXPAIRKFHWMDB-UHFFFAOYSA-N 446.547 4.683 30 10 IJEE C=CCn1nc(C)c(I)c1C(=O)Nc1ccc(Cl)c(Cl)c1 1871323586 DEJDKZNCRNHYMA-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1OC)C3=O 1871349430 LOWPTOQVQRDQCL-HAHDFKILSA-N 436.552 4.504 30 10 IJEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)cc1 1871354910 HNCYRJFSOGSZJD-IWIPYMOSSA-N 432.564 4.948 30 10 IJEE Cc1c(OC(=O)c2cnccn2)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871370124 QLJJXTGMCICJAF-LSCVHKIXSA-N 427.243 4.927 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871802993 LTIAEYHDSYSCDG-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872431757 SOXDDBBDJWGPLT-HXUWFJFHSA-N 428.598 4.939 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccccc1 1872454609 YIIYGIPBFIOIPF-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE N#C[C@@H](C(=O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2cccc(Cl)c2)cs1 1872766303 GNDRLAZZUIGWFX-HNNXBMFYSA-N 434.908 4.509 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c(OC)c1 1872787352 HVOIXMWGSRGBLU-IBGZPJMESA-N 436.533 4.872 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC[C@H](C)C3)ncnc2n1Cc1ccccc1 1873554873 BDJJQAHDYWORQC-FQEVSTJZSA-N 429.568 4.530 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccccc1F 1874202069 JDSKKJNOWVJSIY-PCLIKHOPSA-N 440.544 4.770 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1 1874468639 RIIHZEXVAGTMEH-OEAKJJBVSA-N 445.976 4.814 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc1C(C)C 1874514110 HYOHHMHVJHRTEW-ZVHZXABRSA-N 443.617 4.612 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)N(CC)CC 1874605523 SLTGDXCCEJFDJV-VAWYXSNFSA-N 445.943 4.891 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875118278 WJFCWNSLLYFRGR-KPKJPENVSA-N 442.424 4.893 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cncc(C)c2)c([N+](=O)[O-])c1 1875143256 QRJXBMLBWHPDEI-FNORWQNLSA-N 432.432 4.731 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 1875159850 NWMXLTKYLMXAGA-FPYGCLRLSA-N 436.395 4.643 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(-c3nccs3)s2)c1 1890855224 LSKABKIWFDEWSU-UHFFFAOYSA-N 425.579 4.530 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(O)CCC(C)(NC(=O)OC(C)(C)C)CC1 1922051308 HMEUCZLAYREUPC-OIEGUCRUSA-N 446.632 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1COC[C@H]1N(CCC)C(=O)OC(C)(C)C 1922087012 VOIIMNZMKKLMGU-VXNXHJTFSA-N 446.632 4.790 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2008612759 CZUVSVUIYBMBOD-ZCNNSNEGSA-N 442.522 4.925 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2020307975 IXHQHYVDPCQFLY-IIBYNOLFSA-N 436.557 4.853 30 10 IJEE CN(C)C(=O)COc1ccc(C(=O)C=Cc2c(OC(F)F)ccc3ccccc23)cc1 2040454038 FKWPACPUNHROPC-UHFFFAOYSA-N 425.431 4.804 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NC 2047967659 LCBNKCRUGNUJKD-DLBZAZTESA-N 429.786 4.540 30 10 IJEE C#CC[C@@H](C[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC)C1CC1 2076098684 KONWQQZBVDHTAD-DQEYMECFSA-N 441.660 4.821 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCNc1cc(Br)cc(F)c1C#N)C(F)(F)F 2107441796 GAJRPACWRHETAK-ZDUSSCGKSA-N 440.235 4.717 30 10 IJEE CC(C)(C)CN(c1cc(Br)cc(F)c1C#N)C1CN(C(=O)OC(C)(C)C)C1 2174770164 SBXXAYYFCFGPHW-UHFFFAOYSA-N 440.357 4.932 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(F)cc(F)cc2Br)C1 2225592520 FUPNPSROTXFAJS-MRXNPFEDSA-N 431.321 4.849 30 10 IJEE O=C(C#Cc1ccc(Cl)cc1)c1ccc(Br)cc1I 2230999495 QITKRYQQHSNAMM-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@@H](CCC)CNC(=O)OC(C)(C)C 2252013986 YRHUYUKSEVMPIC-RBBKRZOGSA-N 435.561 4.560 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3cccc(OCc4ccccc4)c3)cs2)OC1(C)C 2255846293 ICVFIZAFBRGGKY-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C#CC1(Oc2nc3ccc(Br)cc3s2)CCN(C(=O)OC(C)(C)C)CC1 2278976488 IGMXKFPQAZHVDG-UHFFFAOYSA-N 437.359 4.841 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)CC2CCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282656489 SZCQRHXEAQGKPT-UHFFFAOYSA-N 449.400 4.827 30 10 IJEE N#Cc1cccc(Br)c1N[C@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2285235289 TZUULIDEILVRDW-LJQANCHMSA-N 426.358 4.556 30 10 IJEE Cc1sc(CCNC(=O)OC(C)(C)C)nc1C(=O)C#Cc1cccc(Br)c1 2296223456 ACSBLMIUJHKDMG-UHFFFAOYSA-N 449.370 4.516 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)CCC12CCC2 2296297195 WIZGEOLXULWSOJ-MJGOQNOKSA-N 433.390 4.698 30 10 IJEE CCN[C@@H](C#CC1(SC)CCC1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299660725 PMJWUVXNWRATOD-FCHUYYIVSA-N 446.657 4.754 30 10 IJEE CCCN[C@@H](C#CC1CC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300408201 ZDYKCXZSJRMOPL-JYFHCDHNSA-N 426.601 4.612 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2306524216 BCCPYRDGOSRYIR-RPBOFIJWSA-N 428.573 4.699 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2306530889 ZGDULVYHZQIUHX-QFIPXVFZSA-N 438.515 4.554 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2OC)SC1=Nc1cccnc1Cl 2314540110 JDAAXBPRVHYZAJ-UHFFFAOYSA-N 445.928 4.551 30 10 IJEE COc1ccc(Br)cc1C=Nn1cnnc1SCc1ccc(C)cc1C 2318574442 KYOVOKVNICICEQ-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1c(Cl)cccc1Cl 2321004185 AHQGYSSYUXSQJM-UHFFFAOYSA-N 439.324 4.701 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)c1 2324745072 HYOVZZCALXZGGH-UHFFFAOYSA-N 446.455 4.686 30 10 IJEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325104049 SHTIFNDTNUTWTE-UHFFFAOYSA-N 439.464 4.878 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)C(C)(C)C 2325785035 GMYRGTPKJVJXQB-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccnc1 2326014965 DYBUMFDSYBNWHF-UHFFFAOYSA-N 427.961 4.889 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)[C@@H]1CCCO1 2330681486 YUAUAKHGXDWYQP-QFIPXVFZSA-N 436.504 4.563 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(C(C)(C)C)cc1 2330732002 XKUJKSXQBIPCGT-UHFFFAOYSA-N 435.597 4.695 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccnc2)cc1C 2331030123 VNPTZODYCCXYJO-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)c1c(OC)cccc1OC 2331164158 IKLKVBAMDCRHSE-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)(C)C)cc1 2331411714 FLPADKXOKCXNHI-GOSISDBHSA-N 449.624 4.990 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(C)=O)c(OC)c2)cc1Cl 2331833889 NBGMTUGYSFPBJD-UHFFFAOYSA-N 439.689 4.941 30 10 IJEE CC[C@H](NCCCN(CC)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338517430 FISAOGAXDVSONO-NRFANRHFSA-N 446.441 4.674 30 10 IJEE CC(C)(C)OC(=O)N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339577996 AEYVDRPQYHVYGB-BUHFOSPRSA-N 444.381 4.895 30 10 IJEE CO[C@](C)(CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)COCc1ccccc1 2339603890 HSJIYWUUMCWWIV-LECGRMGRSA-N 438.377 4.760 30 10 IJEE NCCCO[C@@H](C#Cc1cccs1)c1cc(Br)c(Br)s1 2363634393 XFAOWBNFVAFBRA-LBPRGKRZSA-N 435.206 4.793 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@]4(C)C3)nc2)OC1(C)C 2365055947 SSKBSNGRANZBEK-WNCULLNHSA-N 445.416 4.685 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1 2365109457 WLAWVKNBOCONQI-HGSJELCMSA-N 447.432 4.718 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2cccnc2)cc1 5921609 IMSJZWXSQHOGGF-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(OCCCCCC)cc1 14028702 GFFRUOGYXZAWCV-UHFFFAOYSA-N 439.581 4.688 30 10 IJEE Cc1cccc(CSc2nc3n(n2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N3)c1 20327858 NDBSMNJJRJHRQV-OAQYLSRUSA-N 447.520 4.809 30 10 IJEE Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)c(Br)c2)cc1 20882581 JRUMJDMGNYXZDV-CVEARBPZSA-N 428.301 4.901 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 34954359 XQQONFWAGYUQBA-NTUHNPAUSA-N 433.416 4.727 30 10 IJEE Cc1ccc(CN2C(=O)/C(=C\c3nc(C#N)c(N4CCCCCC4)o3)SC2=S)cc1 39836584 FPWFSXRBDOAHAM-LDADJPATSA-N 438.578 4.637 30 10 IJEE CC(C)(C)OC(=O)CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59310208 HECJUZYOTPAVFV-ZMOGYAJESA-N 433.537 4.991 30 10 IJEE CC(C)c1ccc([C@@H]2/C(=C(/O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 102595054 IPOKILIXETWYSI-RKKARLDVSA-N 446.459 4.933 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2CCc2ccccc2)cc(Cl)c1OCC 169911306 BYPVZJRMMFYNMT-UCQKPKSFSA-N 430.961 4.685 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 169935118 OZYPKSVJYCHIIW-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE CCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1OC 169943475 OMFXUNZTNUCGHH-UCQKPKSFSA-N 425.510 4.840 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCOC)cc1 170034358 MDRNAHZJEWDCSI-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)c(C)c1 170063429 CMBHVXCGYKSOOL-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(O)c2)c1 170082936 CSLDPPJDEXZMEF-QHCPKHFHSA-N 447.462 4.709 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1)c1ccc(Br)cc1 170138382 LKLSNYOSSZLMDJ-IBGZPJMESA-N 442.309 4.676 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(OC(C)C)c1 170153097 VUZXFHHJBPAAHP-NRFANRHFSA-N 438.480 4.760 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccs2)cc1 170155045 OEJZCWUESUSVLY-NRFANRHFSA-N 443.565 4.786 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1 170162066 GFHWGSDHTVKPGD-GHTZIAJQSA-N 441.549 4.540 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1 170163529 YARXAWKRJWPRPI-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccnc2)cc1 170186049 QQZZNCDMYOLVCD-QHCPKHFHSA-N 428.488 4.744 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCC2)c1 170218885 KJSWBSMPSAFFBG-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2)cc1 170222428 YGFALCADYJYCRQ-HSZRJFAPSA-N 437.536 4.725 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccco2)c1 170281249 RIHVDMCZXVICBR-QFIPXVFZSA-N 447.443 4.578 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccco1 170283968 PXOGVEGJGXIUCK-IBGZPJMESA-N 438.823 4.933 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccco2)cc1C 170289207 IASWAHDKRARSGQ-JOCHJYFZSA-N 433.460 4.702 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@H]3c3ccco3)ccc2O1 170296222 VOTPCEKBSAMYEU-PEBXRYMYSA-N 433.435 4.521 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1ccccc1 170314799 VSTPUQRVAAYDTR-FQEVSTJZSA-N 433.485 4.611 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(Br)cc2)o1 170402784 UCEIHZJVQNTXMD-KRWDZBQOSA-N 428.238 4.726 30 10 IJEE C[C@H](C#CC(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C\C1=CCC[C@@H]([N+](=O)[O-])C1 230470759 DBVXCYXESDPNAF-HIURGBNLSA-N 444.487 4.598 30 10 IJEE O=S(=O)(c1ccc(-c2csc(NN=C/C=C\c3ccccc3)n2)cc1)N1CCCC1 254288616 AEQOZXDAVAPZRI-LQSQFJFCSA-N 438.578 4.706 30 10 IJEE C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2ccc(-c3ccccc3)cc2)C1=O 254846949 SETUZZMLTHVKEI-XMMPIXPASA-N 435.430 4.756 30 10 IJEE N#C[C@H](C(=O)c1sccc1I)c1ccccc1Br 310994833 WJXMDPWJKLRGRZ-VIFPVBQESA-N 432.080 4.605 30 10 IJEE CC1(C)OB(c2cc(NC(=O)c3cccc(OCc4ccccc4)c3)ccc2F)OC1(C)C 404902942 AGNJSIRXBZSIDH-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 410367634 TXDZUUDLWJFYRC-SFHVURJKSA-N 428.479 4.898 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 460947866 SWPBWHZYBWMJKQ-QFIPXVFZSA-N 448.567 4.812 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 460959388 NMMRFOOJHBBWHU-QFIPXVFZSA-N 441.535 4.997 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC2(CCOCC2)c2ccccc21 483798677 MVEZCKLIRUBKCZ-QGZVFWFLSA-N 435.593 4.784 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 508815194 YKDBQXCRWXDVBX-NRFANRHFSA-N 440.494 4.543 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 508858240 QONRWUCWYOIRJZ-WOJBJXKFSA-N 435.597 4.816 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC(NC(=O)CCCCC)CC1 508993364 CMIQDXGBKUJTJG-UHFFFAOYSA-N 445.611 4.873 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC(C)=O)cc2)cc1 526484902 CGVKKLVEOUMPHW-DEOSSOPVSA-N 440.455 4.549 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)c(O)c2)cc1 526484928 GHYABCGSOCASLG-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(O)c(O)c2)c1 526808101 AWWUAEGQZASZAE-QQXSKIMKSA-N 444.560 4.957 30 10 IJEE C=CCC[C@@H](NC(=O)C(=O)NCc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1 555956769 DGVJOJYNKIQXSO-OAQYLSRUSA-N 441.453 4.694 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C2CCOCC2)CC1 559002979 UVJQFOIXHLDSIY-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCN(CC2CCCCC2)CC1 570761237 HZRQAQJVXLUNFN-DQEYMECFSA-N 449.643 4.802 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cncc1Br 698966385 SDLYODHFDGCLPI-GFCCVEGCSA-N 431.128 4.594 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N([C@@H]3C[C@H]3C)C2=O)cc1 727681194 HHVOZRLZFGGSAY-LPTQZCDUSA-N 435.549 4.566 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)cc(C)c1 733202343 QITCDRMNNYXBSI-QFIPXVFZSA-N 433.577 4.904 30 10 IJEE C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(N2CCCC2=O)cc1 734101731 FAMJJJBTYZAGDS-LJQANCHMSA-N 439.515 4.755 30 10 IJEE CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)ccc1OCC#N 735305930 FGQSVWMEMHSVGF-UHFFFAOYSA-N 425.838 4.722 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)CCSc3ccc4c(c3)OCCO4)c2)s1 739589832 DIQCALJPESGGRS-UHFFFAOYSA-N 436.558 4.857 30 10 IJEE CC(C)c1ccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)NC(=O)OC(C)(C)C)cc1 780831076 IYTJEDSVABMUFZ-FQEVSTJZSA-N 428.577 4.711 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 804924674 UCTGXGCESVIFNL-GBXCKJPGSA-N 443.547 4.664 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 810473548 DVKOFSHNRGUBEL-HNNXBMFYSA-N 448.750 4.807 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(/C=C\C(=O)c3ccccc3)c2)c1 1084140438 XYSWIKGMAQBRBH-QXMHVHEDSA-N 441.487 4.752 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccs3)n2)cc1 1084299604 ZHXBJNMTUNGGGK-CQSZACIVSA-N 428.587 4.947 30 10 IJEE O=C(Oc1ccc(C=NNc2nc3ccccc3[nH]2)cc1)c1ccccc1Br 1084555709 BCGUMKFNPRUJIA-UHFFFAOYSA-N 435.281 4.991 30 10 IJEE C#CCSCC(=O)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2 1124211826 WJIPZKHWVIGLRW-UHFFFAOYSA-N 448.407 4.925 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(C)n(-c2ccccc2Br)n1 1124451919 OFDWMTGOSBYGBF-UHFFFAOYSA-N 427.298 4.900 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ncc(-c2ccc(C)cc2)o1 1124533834 HQPJRCVXYUXDRD-UHFFFAOYSA-N 435.476 4.712 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3cc(Cl)ccc3N3CCCCC3)C2)c(F)c1 1124789320 FXFBTWLYLYJWOH-KRWDZBQOSA-N 426.923 4.806 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1125289206 BHVBSRBZRDKFDN-FNZWTVRRSA-N 442.600 4.704 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC)c1ccccc1 1130116223 JIHZZNHBSASYCI-XMMPIXPASA-N 437.499 4.661 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1132175823 JJHPPYKSVUQYKE-IBGZPJMESA-N 437.367 4.772 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 1135448449 HHUPWHPTLMLWMB-JOCHJYFZSA-N 438.571 4.912 30 10 IJEE N#Cc1cc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cs1 1136660823 GQJQXRISFNULKG-UHFFFAOYSA-N 430.302 4.759 30 10 IJEE CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n[nH]1 1142905354 CFLDWKAKZXZXAX-UHFFFAOYSA-N 438.871 4.935 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[C@@]2(C)C(C)C)c1 1161141776 HTHSCFQRVHLZFF-GMAHTHKFSA-N 447.000 4.886 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)n(-c2ccc(F)cc2)c1C 1171399286 CYLWKTUXBPYZPO-GOSISDBHSA-N 429.499 4.608 30 10 IJEE CCc1csc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)n1 1189852388 ASHGWVSWDDBWIH-UHFFFAOYSA-N 426.567 4.724 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1C(F)(F)F 1201178274 FPUPLIJBZLIXFA-CQSZACIVSA-N 442.363 4.996 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 1217278380 SENYYJMBYDVDMO-UHFFFAOYSA-N 443.219 4.681 30 10 IJEE C#C[C@H]1COCCN1C(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1220129388 PFYQTIRPPWQNDK-SFHVURJKSA-N 435.362 4.664 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 1220692844 FBHUBYXLHGTTSJ-MHECFPHRSA-N 429.495 4.742 30 10 IJEE C#CCOCCNC(=O)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1224887675 KSRPPFUUCMNOQC-NRFANRHFSA-N 434.458 4.507 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1F 1230511593 WZHGVLKUDZBHPH-GOSISDBHSA-N 440.733 4.992 30 10 IJEE C=C(CC)CNC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1233531152 DCAATROUKNCMLX-UHFFFAOYSA-N 433.346 4.802 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(COc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1264557954 WFYZMVUQTCNCTN-HHHXNRCGSA-N 448.563 4.675 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1264919402 SCMOZRVXZYIRMS-QGZVFWFLSA-N 436.483 4.594 30 10 IJEE CCC(C)(C)OCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1267878699 AFLLUUWKLPCXKU-SFHVURJKSA-N 439.943 4.908 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c1 1270785324 AXHQFCVUGSUFQE-UHFFFAOYSA-N 447.239 4.535 30 10 IJEE C#C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Br)cc1 1275463907 KGZHPJTWDQRBPQ-KRWDZBQOSA-N 444.716 4.576 30 10 IJEE C=CCCC1(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CCCC1 1279011718 RSEFXPJCNKVPCF-LJQANCHMSA-N 433.390 4.583 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1Cl 1286282655 RNUOTJCMIKAUCY-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCc1nc(C(C)(C)C)cs1 1286291744 WDEONJDLFLGAQM-QGZVFWFLSA-N 444.608 4.948 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)[C@@H](C)CC 1286402409 ZJRNIXPKGXKBJF-GHTZIAJQSA-N 447.608 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)Cc1cccs1 1286404591 WKSLTTJGIIXHST-IBGZPJMESA-N 425.561 4.506 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C(F)(F)C12CCC2 1286453692 WJRMIWFAHKVIFI-QAPCUYQASA-N 434.918 4.966 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H]1C(=C)C 1286455859 ZYPMAGMKCGYKFR-REWPJTCUSA-N 434.515 4.607 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H]1CC=CCC1 1286496598 GTFZXMZBVKQLFS-HXUWFJFHSA-N 431.609 4.961 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCOCCCC 1286516975 BBSQLHGOFHZJEZ-JOCHJYFZSA-N 445.405 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCC1 1286568234 RFRBVBMVXOHQCW-GOSISDBHSA-N 432.012 4.958 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1286688398 WXAUKDBDCJOXJB-UHFFFAOYSA-N 435.616 4.743 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1286769627 FVCHKXRGQRFNGL-ROUUACIJSA-N 449.368 4.817 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1286771033 UAHGLDPXJPUWCK-RTWAWAEBSA-N 441.595 4.692 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccnc(SC)c2)C1 1286800654 OKASUYFSEKRZKW-YADHBBJMSA-N 449.624 4.767 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C1 1286808447 WODJLWBPIWNJFS-DENIHFKCSA-N 433.021 4.589 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)CC1 1291142295 BFXIPAPJRHJEBL-WOJBJXKFSA-N 432.572 4.728 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 1298785011 WSRVWAQBHNYQEO-QGZVFWFLSA-N 446.897 4.742 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 1299876006 VKGVLWPCDWWHFI-YOEHRIQHSA-N 427.463 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCCN1CCCC 1300292016 HWJMEUDUZQSSOH-IRLDBZIGSA-N 430.600 4.606 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1csc(C(C)C)n1 1300322035 PMRAWWUDROZDTN-LJQANCHMSA-N 437.613 4.754 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CCCOC2)C1 1300341359 GEGVNWRSDHUIQM-JOCHJYFZSA-N 443.389 4.518 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN1CCC(C)CC1 1300438315 KVQIXVCWCPGCBB-UHFFFAOYSA-N 448.640 4.568 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1300603331 ZNFCJHLCKOOEEY-IBGZPJMESA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300643900 OZADXHDKPUPZFW-RTBURBONSA-N 446.064 4.804 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCc1csc(C(C)C)n1 1300800673 ZGSBIKPIZPZJER-XMMPIXPASA-N 435.597 4.768 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(Cc1ccnn1C)C1CC1 1301016638 AUFWEXYNPONYLR-SFHVURJKSA-N 440.979 4.690 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1301057084 OGKBINOKUCBXOZ-IBGZPJMESA-N 432.996 4.768 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@](C)(O)c2cccs2)CC1 1301127154 IBXKFDMAMYRZCQ-QHCPKHFHSA-N 443.016 4.894 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1301402625 OWNQNJPCAUGLIY-JOCHJYFZSA-N 438.616 4.645 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2cccs2)C1 1301558117 ZIQJYUWRRQIIKG-IBGZPJMESA-N 428.989 4.608 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1302118252 ARFQSFPNQVYRCK-OFNKIYASSA-N 439.579 4.589 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccnc2)nc2cc(-c3ccccc3)sc2c1=O 1307273706 GCUBGZASIPCYNB-UHFFFAOYSA-N 448.573 4.827 30 10 IJEE CC(=O)c1ccc(OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c(Br)c1 1307365857 OAKRYHIILLXTPE-CIAFOILYSA-N 428.326 4.911 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1Br 1309583611 GKFRNQRLQUCOOH-CZUORRHYSA-N 439.762 4.589 30 10 IJEE C=CCC1(NS(=O)(=O)c2cc(Br)c(C)cc2Br)CCCC1 1309686160 UUIYKWXYIQANTE-UHFFFAOYSA-N 437.197 4.687 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)c1 1310303277 RMKWPTAJGXNQCC-UHFFFAOYSA-N 432.476 4.830 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC 1311999043 FGDKMFSNGLYYOC-RUZDIDTESA-N 432.520 4.857 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccccc1 1312334259 KEUZCJPLNUGFFM-HXUWFJFHSA-N 429.923 4.654 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1314054115 GIDFITQAJHIJHZ-NYVOZVTQSA-N 437.588 4.559 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1314796456 COEQATXWRFXUSE-DEOSSOPVSA-N 435.597 4.802 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1316397538 FJWQNFJRFDESFK-OXJNMPFZSA-N 429.634 4.848 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)CCCN1C(=O)OC(C)(C)C 1354008908 HTQBFFPDSVYXRA-NRFANRHFSA-N 446.598 4.615 30 10 IJEE C=CCN(C(=O)c1ccc2c(O)nc(C)nc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1355119618 HOTZDEDOZLJWIS-UHFFFAOYSA-N 447.476 4.508 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H](CCOC)Cc1cccc(Br)c1 1358378002 OLSSUZYBVCFSRI-SFHVURJKSA-N 434.349 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1coc(-c2ccc(C)cc2)n1 1358899456 NOHPGKLEXXVHCZ-STZQEDGTSA-N 447.583 4.666 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CCCC2(C)C)c1 1358903145 MHXIQOQRLCMTEQ-QFIPXVFZSA-N 447.627 4.893 30 10 IJEE C#CCCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1C(=O)Nc1ccc(C)c(C)c1 1358918007 IEASKDFFVFFFIW-UHFFFAOYSA-N 445.571 4.691 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc(C(F)(F)F)cs1 1359004400 VDJVBXVSUINQFB-UHFFFAOYSA-N 425.867 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCn1ccnc1C 1359066692 KZTKDMMZFNHPOP-AREMUKBSSA-N 430.600 4.830 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1359119281 HTCTXNGBWQBORX-UHFFFAOYSA-N 445.615 4.632 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@H]1C 1359127050 GTDZBHAQYQDURX-SJORKVTESA-N 437.009 4.606 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(COC)CCCCC2)CC1 1359166544 XKEYKDGWHFHZAC-UHFFFAOYSA-N 430.543 4.900 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)COC)CC1 1359181229 LIVKZZORVOGYMX-IBGZPJMESA-N 426.605 4.840 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359183284 HVCRIVYZUBVNOT-HSALFYBXSA-N 441.595 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCCCC1 1359184475 QGFBNQWZHZRXEM-UHFFFAOYSA-N 444.645 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359185130 MCTPUFMYVJZVFS-QGZVFWFLSA-N 445.970 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359185847 LNRGPXKMXIXINM-IBGZPJMESA-N 425.577 4.651 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCOC2(CCCCCC2)C1 1359228183 WEKXWGCTPNOJEF-UHFFFAOYSA-N 438.616 4.700 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1C[C@H](C)O[C@@H](C)C1 1359233886 UXALWIRZHSTWDQ-GJZGRUSLSA-N 449.393 4.542 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1359252475 STEDOTJUKAROTA-BGYRXZFFSA-N 439.623 4.919 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1sc(C)nc1C 1359260900 QZEOKBHNTMETEB-LJQANCHMSA-N 441.576 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1359269054 MSYUAFXKOXSVKR-UHFFFAOYSA-N 447.530 4.592 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1359310123 NCMJRCUTVCSSAH-FGZHOGPDSA-N 438.616 4.733 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1442988476 JRXKCBJLBRHKCA-MHZLTWQESA-N 428.963 4.798 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1450829956 BLUVTYISRKAIOU-AWEZNQCLSA-N 428.451 4.768 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@H]2Cc2ccccc2Br)cc1 1460160314 ILLZMBSOODBQOG-NRFANRHFSA-N 425.370 4.856 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2OC)cc1 1465628371 HDNRHBHRXKOVMA-IBGZPJMESA-N 429.314 4.839 30 10 IJEE C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1467732685 HNRBXIAROLAZFO-LJQANCHMSA-N 429.495 4.627 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1 1470664219 ZXXGKLYQYVYWHJ-FGZHOGPDSA-N 431.914 4.771 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CC[C@H](C(F)(F)F)O1 1472934672 KNTRSEKHTOLMAT-HUUCEWRRSA-N 433.883 4.899 30 10 IJEE Cc1cc(NC(=O)NCC2(c3cccc(Br)c3)CC2)c(C#N)cc1N(C)C 1476702857 GEHNMZHRWSTSOT-UHFFFAOYSA-N 427.346 4.549 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1478258830 ZIZLHXZLTMXOCP-JOCHJYFZSA-N 443.588 4.504 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1Br)C1CCC1 1503414189 FGSGMNHZKPFWLY-UHFFFAOYSA-N 428.359 4.678 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cscn1 1507557436 QMRHMSYHVGRIBH-MRXNPFEDSA-N 429.977 4.968 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nc2c(s1)CCCC2 1507602428 OEMLKMWBLSIXLX-IBGZPJMESA-N 449.624 4.682 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)c1ncc(C)s1 1507619209 YPFZKPFJMDTBDS-SFHVURJKSA-N 437.613 4.927 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCOC(C)(C)C 1507749856 ZHWMQYMDMZAQCD-UHFFFAOYSA-N 441.428 4.870 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](CC)C1 1507758007 GAOBEWSVONHZSK-GOSISDBHSA-N 430.643 4.572 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1507822805 JIHKYZKBBAAGIM-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1507826130 GQWXGUYDQAUUKB-ZCYQVOJMSA-N 431.584 4.834 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1507827986 LHEODOCRQDFQNZ-INIZCTEOSA-N 427.911 4.757 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1507830413 SWAKSQLIZFKMHE-UHFFFAOYSA-N 443.567 4.886 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1507841404 ZAXZBFSQPBSHOJ-OAQYLSRUSA-N 440.519 4.758 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1507923716 BOJJMXCWSYYMIT-OAQYLSRUSA-N 430.556 4.885 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H]1C 1507959499 QACBXGURNWGFIV-UONOGXRCSA-N 425.396 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCOc1cccc(C(F)(F)F)n1 1507974835 LAZGLFHHMQHSFE-UHFFFAOYSA-N 443.429 4.806 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1 1508001032 JLPFERYQOLRBFN-UHFFFAOYSA-N 425.964 4.896 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CC1 1508005899 BFOUILXMBFQFNB-INIZCTEOSA-N 444.988 4.851 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@@H](C)CC#N)c(C)o1 1510550588 FUROJCRIAYLQRS-WHEQGISXSA-N 445.926 4.594 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1512062506 FUBSIRFHAYCSCI-IEGUWTFLSA-N 425.602 4.639 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1 1513600446 CENCWSVYSMIMLY-HXUWFJFHSA-N 439.629 4.888 30 10 IJEE Cc1cc(C)c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(C)c1Br 1519792974 AVOKCVXZNDNCMC-UHFFFAOYSA-N 442.357 4.761 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)c1nc(-c2ccccc2)cs1 1524295435 KDFOVXWMUQECCU-FQEVSTJZSA-N 431.561 4.999 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CSc1ccccc1[N+](=O)[O-] 1527807464 VARHCLMVFRBTJJ-UHFFFAOYSA-N 439.306 4.803 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1529304695 BRUBMZUZPSEWQF-WOJBJXKFSA-N 432.630 4.562 30 10 IJEE CCN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1534972334 CCSUCBLVCABAFG-NRFANRHFSA-N 431.923 4.766 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)c1 1537133552 AOFCOOMVVZRJNB-QHCPKHFHSA-N 438.527 4.653 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCC(F)(F)C1 1539026456 VDFWEBSRXGYFAB-OALUTQOASA-N 425.527 4.955 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(OC)CCC(C)CC1 1539350611 RPASGIYZPOEJBH-UHFFFAOYSA-N 432.515 4.601 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)C1CC1 1539365867 QLGNFVPCVDHCRW-LJQANCHMSA-N 443.636 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCOCC1CC1 1539540073 FWICCSIPMNYBPA-JOCHJYFZSA-N 443.389 4.516 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1539742579 GLJKDXDLHKPPPG-LJQANCHMSA-N 437.588 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1539910752 OBKIHDFQJKGLLT-QFIPXVFZSA-N 432.616 4.597 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1COc2ccccc2O1 1539944841 HDQLWXLYEPNMHC-HXUWFJFHSA-N 433.556 4.671 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCN1CCC 1540056453 HVPQQYOPPGYSKA-OAHLLOKOSA-N 438.439 4.656 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1540095475 QJRVIZISJKNQNI-ZCNNSNEGSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1540147923 XKQLTTDWYOYMSW-IEBWSBKVSA-N 445.633 4.740 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N(C)Cc1cc(Br)cs1 1540859669 YXLAMORODXVTOW-UHFFFAOYSA-N 433.375 4.546 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(N(C)C)c1 1541106974 DHLUJJZQWVGLEF-QZTJIDSGSA-N 448.640 4.842 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@H](C)C2)c1 1543736767 JEYRHLMCOQVTTP-ZWKOTPCHSA-N 447.000 4.887 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)CC2=O)cc1 1543887526 AZFYODFPKPQTKO-IBGZPJMESA-N 435.955 4.583 30 10 IJEE C=CCc1ccc(OCC(=O)N(C)Cc2ccc(Br)cc2Cl)c(OC)c1 1543994225 AYKWJTUIGZXQDB-UHFFFAOYSA-N 438.749 4.877 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1544174375 GEOJUTABOWHXLT-LJQANCHMSA-N 425.554 4.596 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)SC)cs1 1546378093 BHTLLYAUICBOFR-UHFFFAOYSA-N 426.615 4.614 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)C1 1552504808 FVVQGQSDGXTVLZ-VXKWHMMOSA-N 449.628 4.592 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(Br)cc(Br)c2N)c(Cl)c1 1558643654 BLUFEHZPCVLMNE-UHFFFAOYSA-N 428.511 4.681 30 10 IJEE C=CCn1c(SC[C@H](OC)[C@H]2CCOC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1559307986 VVXVMDFBKVXXTB-HKUYNNGSSA-N 442.606 4.763 30 10 IJEE CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1562673232 CHLMISZSNQLPMF-QZTJIDSGSA-N 436.512 4.729 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1 1565623094 ONXVVEXOMVUTPY-UHFFFAOYSA-N 442.587 4.581 30 10 IJEE O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(C(F)(F)F)c(O)n1 1566887731 IIQOAXQLMBYYIZ-LLVKDONJSA-N 432.242 4.858 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CC)[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC 1583057235 OJUVVQQIGJWGRT-AINYZZLYSA-N 434.580 4.957 30 10 IJEE C#CCOc1ccc(CNC(=O)c2csc(-c3cc(Br)cs3)n2)cc1 1583105396 JTXGOMUHMNXCEP-UHFFFAOYSA-N 433.352 4.576 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1 1585279262 NHVMESLQSIZHNA-QPPBQGQZSA-N 434.580 4.953 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@@](C)(CC)O1 1587603272 IPJWPKKASXERTE-GCKMJXCFSA-N 431.378 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 1588205711 RZPWWZHXJAGKRJ-UHFFFAOYSA-N 439.563 4.563 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1589164594 VTPYIRMCQFJSAQ-YDIMBITNSA-N 426.008 4.711 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 1594552038 FJRAATVMBOAXJC-HSZRJFAPSA-N 436.600 4.760 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C 1595166232 RMQWDYBAFUNCDT-SHQCIBLASA-N 449.643 4.569 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(C)c1)c1ccc(F)cc1 1596944739 LUUQURUCMXYPJO-OYUWMTPXSA-N 426.535 4.840 30 10 IJEE Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@](C)(C#N)C2)no1 1611954733 IDTHFZACCXYROE-VWLOTQADSA-N 448.571 4.629 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)(N(C)C)C1 1612738405 BFTDWRGLZOWTLX-YNJKOYDBSA-N 426.653 4.651 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccc(C(=O)O)cc1 1614234621 VCJCGLXDWKFEGH-LBCNESNHSA-N 443.322 4.937 30 10 IJEE C=C(CCC(=O)OC)C(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br 1617494161 HAERWNMXLXWPLO-UHFFFAOYSA-N 436.371 4.857 30 10 IJEE COCc1ccc([C@@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)o1 1619658081 GGHSNIBIIUJGMA-QFIPXVFZSA-N 449.555 4.856 30 10 IJEE CCOc1cc(CNC(=O)Nc2ccc(C#N)c(Br)c2)ccc1OC(F)F 1624633718 DEJXFLYTHATKIK-UHFFFAOYSA-N 440.244 4.643 30 10 IJEE CCOC(=O)Cc1cnc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 1625664270 IEVQSBJHQLSXGJ-OAHLLOKOSA-N 434.521 4.670 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 1633039608 CYCWSMQMTXLKJQ-UHFFFAOYSA-N 442.515 4.753 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1637539894 MYRDOEUDRHJHLR-YJMBLLCNSA-N 427.589 4.603 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)CCCC1 1640592515 OTMAINVMSQCPIF-UHFFFAOYSA-N 442.581 4.671 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCc1cnn(-c2ccccc2)c1 1644269799 FWBVFXRRQLFIOV-UHFFFAOYSA-N 433.103 4.848 30 10 IJEE C=CC1(CC(=O)N2CC[C@@H](c3ccc(F)c(F)c3)C2(C)C)CN(C(=O)OC(C)(C)C)C1 1651132945 NMOSFPZWTLJHMO-KRWDZBQOSA-N 434.527 4.873 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc([C@H]3CCCO3)n2)nnc1-c1ccc(OC)cc1 1651335089 JROOOOCQWXCOIF-OAHLLOKOSA-N 429.933 4.586 30 10 IJEE CC(C)(C)c1ccc(C#N)c(OCC(=O)NCc2ccccc2COc2ccccc2)n1 1652055233 FWBLODQYBDXGMF-UHFFFAOYSA-N 429.520 4.525 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2ccc(COC(C)C)cc2)Cc2cccs2)c1 1652828154 GAVRIJNMGZKAKO-UHFFFAOYSA-N 432.589 4.977 30 10 IJEE COc1ccccc1[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1655288986 HXMUHYJLEAFBLU-LIRRHRJNSA-N 438.471 4.748 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 1658385225 GQOCTSYEEVYLSF-IBGZPJMESA-N 425.523 4.863 30 10 IJEE COc1ccc2oc([C@@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c(C)c2c1 1660095323 ACWHDNHPJKPEFY-GFCCVEGCSA-N 438.427 4.680 30 10 IJEE Cc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3ccc(Cl)cc3C#N)s2)cc1 1662185966 DGGOTULIXWTCNK-AWEZNQCLSA-N 431.970 4.992 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cc(Br)cc(I)c1C 1663819224 HOZDMZAEGHOLKH-UHFFFAOYSA-N 435.103 4.568 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(OCC(=O)OC)c2ncccc12)c1ccc(F)c(F)c1 1667931130 QIXDDVUGMWOGKA-OAQYLSRUSA-N 441.434 4.504 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCc3ccc(C(C)C)cc32)cc1 1667955709 BMCDCORETNTYFM-HSZRJFAPSA-N 441.597 4.816 30 10 IJEE C=CCC1(CNC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCC1 1670311238 XRFRPQLUSPERKN-HNNXBMFYSA-N 430.902 4.768 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1(c2ccc3c(c2)OCCO3)CC1 1670845799 ULGWDMKWHOZAFV-UHFFFAOYSA-N 445.313 4.596 30 10 IJEE C#CCN(C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@H]1CCCc2ccccc21 1674050964 POLDKPILMLZVEE-FQEVSTJZSA-N 447.432 4.549 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)c1ccc(F)c(F)c1 1675699214 MDIOSIRHXWQTGL-GOTSBHOMSA-N 429.511 4.727 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(Cc2ccccc2OCC)C[C@@H]1C)c1ccc(F)c(F)c1 1680281438 ZCTJLIRHMVRQSC-MHECFPHRSA-N 443.538 4.897 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 1681266090 DPSNEIJHIDLMJC-ZACQAIPSSA-N 445.423 4.665 30 10 IJEE C#CCN(C(=O)N[C@H](COC)c1cccc(Br)c1)[C@H]1CCCc2ccccc21 1683576497 UGZDPUKHLCXGCI-YADHBBJMSA-N 441.369 4.859 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)c1ccccc1 1684989082 OGWKZIXEUQEFGH-VWLOTQADSA-N 448.611 4.612 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2ccccc2N(C)C[C@H]1CC)c1ccc(Br)cc1 1686919581 ICQXWUIIGGKSMW-WOJBJXKFSA-N 426.358 4.564 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCO[C@H]1CCCC[C@H]1C 1689829004 UBIGDMGPFLPWRE-GHDARCQNSA-N 428.552 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CCN(CCC)CC1 1689835120 GOGJKGXBYICKNT-OALUTQOASA-N 439.673 4.711 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1689947299 DNBGNWWVEKXRCF-TZIWHRDSSA-N 439.604 4.535 30 10 IJEE C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1689971918 AOHOIFPTUBEEIU-RDGATRHJSA-N 447.652 4.667 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(C)C)C1 1690161569 JUMVFENIAGOBIS-GOSISDBHSA-N 447.446 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC(F)(F)Br 1690207540 BWYWKSANBQEGSQ-QGZVFWFLSA-N 443.723 4.502 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1690224075 AHGQTFAAPSOLGL-YOEHRIQHSA-N 442.188 4.874 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1F 1690241434 SEHFOEMVKNXXQY-GHTZIAJQSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@H]1CCCCO1 1690243105 HJIPXCKPEQVQHP-OPYAIIAOSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC(C)(C)C1 1690249104 TZXCRZJRSSRXKO-VGOFRKELSA-N 430.543 4.755 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccsc2)CC1 1690373690 IHYSVOSGAWPTNR-UHFFFAOYSA-N 443.617 4.659 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690422341 LYSNIBRMHJSJQB-NRFANRHFSA-N 432.616 4.912 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCn1cc(Cl)cn1 1690515358 LCIPDEJKOQDCSM-MRXNPFEDSA-N 449.386 4.861 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(OC)C1CC1)C1CC1 1690539745 KVSBLPDMGQLKJD-OAQYLSRUSA-N 431.378 4.678 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1690651364 ODAZJLCWXASPOX-GOSISDBHSA-N 444.988 4.953 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](SC)C1 1690752305 DFVKRSYTKQGYKA-GUDVDZBRSA-N 438.707 4.838 30 10 IJEE COCC1(CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1697797605 DBPDKDIOXFGQSD-JOCHJYFZSA-N 427.980 4.935 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@](=O)C(C)(C)C 1705479719 ODHCABRTEYMXPG-ONSXPEOJSA-N 449.045 4.818 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1705508882 XTPCMQLTKRFGOU-XLIONFOSSA-N 432.515 4.774 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC=C(C)C1 1705739583 LAHLZUMEEUSZHR-UHFFFAOYSA-N 437.371 4.913 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705795572 MWIDGBOOEUSNOS-XRXFAXGQSA-N 430.637 4.804 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(Cn2nc(C)cc2C)CC1)c1ccccc1 1705796599 HOLLFNNUHMSHTH-DEOSSOPVSA-N 432.616 4.930 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1)c1ccccc1 1705797649 ZNCQEQOUFWXSAS-JOCHJYFZSA-N 438.616 4.612 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)C[C@@H]1CC 1705801955 WURLQECJAROIPM-HKUYNNGSSA-N 444.649 4.528 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C(=O)NC)CC1 1705811719 JMEHTALEKSLTLX-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(F)cn2)C1 1705919971 NPGUNDNLWJACJP-JOCHJYFZSA-N 435.547 4.606 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)=C(Br)C1 1705944555 KJZSLLAHSDNRLS-UHFFFAOYSA-N 444.402 4.615 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1705946381 GSFFAFNQTLPIAA-UHFFFAOYSA-N 443.636 4.566 30 10 IJEE Cc1cscc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1707732804 CNPKQAAHMMOHFM-UHFFFAOYSA-N 448.640 4.792 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCSC[C@@H]1C 1722315646 YYUZKOUBQMKQBT-ZDUSSCGKSA-N 425.421 4.514 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(Br)cs1 1722330457 UECMCTBVLLGDHZ-UHFFFAOYSA-N 440.370 4.691 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1722336924 SFWRREDGTCJTHO-SFTDATJTSA-N 426.992 4.579 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722496816 NSOQZLLBJRTAMM-DYESRHJHSA-N 441.938 4.750 30 10 IJEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CCC 1722536304 DEKGTGLHHMMBPL-IBGZPJMESA-N 449.640 4.610 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1722548715 QOOXTKUEFKBFPS-GOSISDBHSA-N 447.986 4.750 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1722549929 CKTIUASGKFJYBL-KRWDZBQOSA-N 428.993 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1722589189 DKNFTPHIYQCILR-UHFFFAOYSA-N 425.621 4.688 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1)c1ccccc1 1722598105 ZOXCHPNRJYVCEX-PKTZIBPZSA-N 436.600 4.760 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(F)(F)F)CC1 1722618351 GYTOBHHVWXVJFB-UHFFFAOYSA-N 432.494 4.652 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC[C@@H]1CCCCO1 1722654642 RNIRZXACSTYBKO-XZOQPEGZSA-N 440.588 4.680 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN1CC 1722664014 NVQZEORMNJUQIJ-FQEVSTJZSA-N 439.604 4.746 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCc2ccccc21 1722689002 DPHDZUBWCMNKCL-ISKFKSNPSA-N 449.643 4.828 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1722739058 DRWWWKGQENHNQN-UHFFFAOYSA-N 448.608 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1c(C)coc1C 1740730256 WAMURACTUJTZMZ-RUZDIDTESA-N 434.540 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1ncc(C)s1 1740731703 FWKKPZKKJOAEOM-NPMXOYFQSA-N 441.551 4.708 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)=C(Br)C1 1740783646 QKYSAEPKSMKKCT-UHFFFAOYSA-N 431.378 4.527 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCc2ccccc2)CC1 1740848398 JUEIGVBZXWNUGB-JOCHJYFZSA-N 438.616 4.960 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CC1(N(C)C)CCCC1 1740916456 NNRHWAUMFNQVOS-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1snnc1C 1740920949 ZISTWOHTEUFQSO-UHFFFAOYSA-N 426.565 4.551 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCc2ccc(F)cc2C1)C(C)C 1740925730 DIOBLALCURCQMF-DEOSSOPVSA-N 437.607 4.946 30 10 IJEE CCC(O)(CC)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1 1744176496 CCEBVLCZUGWCEN-QGZVFWFLSA-N 441.645 4.813 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(CC)CCC1CC1 1749023110 NBDKMZHGAMESIH-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1csc(C)n1 1749143869 NJGDFQQROLDNMW-MRXNPFEDSA-N 429.565 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)CC)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1749144160 SMQHXMTUQULVRZ-GGAORHGYSA-N 425.621 4.576 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)CCCOc1ccccc1C 1749276785 SBBRKDGOBUUBEJ-UHFFFAOYSA-N 431.993 4.600 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@](C)(O)CCC)CC1 1749312627 PXJDRPANVJOEPJ-VWLOTQADSA-N 426.605 4.996 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1N(C)CCCC1(C)C 1749528160 FRHGGWRPYCVBBG-HSZRJFAPSA-N 448.615 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccccc1 1749554475 TVAQDCPFCFQDFE-XUZZJYLKSA-N 438.597 4.682 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1749746057 QIDFNDVIRXQXMA-SFHVURJKSA-N 430.618 4.754 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1751086660 FVWNJSSEXFUSEA-CRAIPNDOSA-N 441.651 4.924 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCC[C@H]1C 1751091071 FDMVMVNFKVOIDX-QZMQVMSPSA-N 427.618 4.565 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCSCC(C)C 1760124563 KBBZNMFGUDSTKC-MOPGFXCFSA-N 449.665 4.587 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1C[C@H]2CC[C@H]1C2 1760167558 UIRAEDPTLZZBOM-SOUVJXGZSA-N 433.781 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cc(C)cs1 1760323892 GOYPCGJGRRAMEP-CVDCTZTESA-N 440.588 4.996 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](c1ccco1)N(C)C 1760332266 XYOVZQPCBFSPOG-NRFANRHFSA-N 430.556 4.792 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760337402 PVELYDAQUWYWTL-UHFFFAOYSA-N 426.609 4.847 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC=CCO1)C1CC1 1760475619 ODBLWYKMAMAXHT-QGZVFWFLSA-N 435.355 4.664 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1C(C)(C)C)C(C)C 1760489781 JWDDRFCXNLUEGP-LEWJYISDSA-N 433.710 4.852 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](COC)C1 1760560718 CRVDURWCQVNXCT-SJORKVTESA-N 432.659 4.523 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(Cc2ccco2)C(C)C)C1 1766078587 FQQDBWRKOJRXKU-OAQYLSRUSA-N 432.572 4.557 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC[C@@H]1C 1766085869 HHCPVNPFQUJDQB-WZOHSFFVSA-N 437.588 4.822 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)s1 1769822273 AEIYBGVLIZKYRG-UHFFFAOYSA-N 447.564 4.789 30 10 IJEE O=S(=O)(c1cccc(-c2csc(NN=Cc3ccc(Cl)cc3)n2)c1)N1CCCC1 1772724064 POPLKESTINFJGV-UHFFFAOYSA-N 446.985 4.694 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1ccccc1C(=O)O 1772762450 KIODKCJOKIPJAT-UBLAJHMLSA-N 443.322 4.937 30 10 IJEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(C(F)(F)F)cn3)cc2)c1 1858913168 UJUJQSLVGJULBT-UHFFFAOYSA-N 440.381 4.513 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCC)c(OCC)c1 1862422608 IVYDIZQCNMHZEX-NRFANRHFSA-N 445.462 4.751 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862474615 PZMJGTWEGRDFHL-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 1862650300 SETDUMMJQFAVJL-HSZRJFAPSA-N 433.479 4.984 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862667486 CICSACTUXONONJ-DEOSSOPVSA-N 430.548 4.957 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2nc3ccccc3[nH]2)cc1 1862674695 QYCBXQDLNWWTLW-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)cc1 1862747093 MUNXHEYLXZACGH-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)cc1C 1862938163 VMCAFMNQEINVMN-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862992685 YLPIPBWAQMIKPV-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2ccc(F)cc2F)C1=O 1863320096 HUDBQALQMAYZFQ-UHFFFAOYSA-N 439.506 4.969 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCCOC)C1=O 1863691200 ZCVCHZWWJIVDKY-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868221762 XWZYISHBORWRQA-QFIPXVFZSA-N 430.531 4.847 30 10 IJEE CCCN(CCCN(C)C)c1cc(Nc2ccccc2C#N)nc(-c2cccc(OC)c2)n1 1868510760 FWGNRKHNEMIKCX-UHFFFAOYSA-N 444.583 4.936 30 10 IJEE CCCN(CCCN(C)C)c1cc(Nc2ccc(C#N)cc2)nc(-c2cccc(OC)c2)n1 1868516712 WUTJAXYAQDYLEB-UHFFFAOYSA-N 444.583 4.936 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)nc(C(C)C)n1 1869103995 UKXLVULGFYTQDH-QFIPXVFZSA-N 438.019 4.851 30 10 IJEE CC(C)c1cc(NC(=O)[C@@H](N=C2NS(=O)(=O)c3ccccc32)C(C)C)cc(C(C)C)c1 1869928510 MTDLKJKXXGPQOZ-QFIPXVFZSA-N 441.597 4.635 30 10 IJEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(CCCCCO)CO1 1871351920 HOLHTOROIZHKSN-JAIQZWGSSA-N 434.319 4.924 30 10 IJEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1OC 1871367329 GGTMJIDSAYWJEM-XKZIYDEJSA-N 434.444 4.760 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)c1 1871383441 AOMYSVNSKGGUSN-IWIPYMOSSA-N 446.455 4.695 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2c(Cl)cccc2Cl)C3=O)C[C@@H](C)O1 1871395418 RGHFHMRZYHURID-KGPIEMBISA-N 434.319 4.924 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OCC(=O)Nc4nccs4)ccc3C2=O)c2ccccc21 1871442744 RUMOVBXGGSXAQF-NHDPSOOVSA-N 445.500 4.751 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2Cl)ccc2c1O/C(=C\c1ccccc1)C2=O 1871446008 VGLOTZCYFJXECY-XKZIYDEJSA-N 433.891 4.960 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871592843 AAISKRNHKAALBH-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)CC)S(=O)(=O)CC 1872124507 AKZRDTHFNLUUHR-WBMJQRKESA-N 440.915 4.550 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(C)(=O)=O 1872215836 RSAAPXMELCBHLO-MBSDFSHPSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872229901 JRSIOSKDZDPMAS-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=CCN1C(=O)C(NCc2ccc(OC(C)(C)C)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873114875 RJKBTLONARLVDJ-UHFFFAOYSA-N 432.564 4.845 30 10 IJEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCCCN(C)C)C1=O 1873121179 RAOMOMJFPVJBCB-UHFFFAOYSA-N 441.660 4.984 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874307293 ONXIOOYWFDTVGN-PCLIKHOPSA-N 431.565 4.724 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2/N=C/c2ccc(C(C)C)cc2)cc1C 1874321110 ADSAFRPPKOFLGW-MFKUBSTISA-N 438.597 4.954 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccccc1 1874404783 PIQVUJQVBHPTSE-LGUFXXKBSA-N 449.624 4.686 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874451068 QRIYBXRQOJQUPG-NZYROCMPSA-N 444.601 4.601 30 10 IJEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874535558 MWSPVPJUUCIHAJ-DNTJNYDQSA-N 438.296 4.682 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875119085 DBDSTTYALRJAOO-OUKQBFOZSA-N 439.464 4.994 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c([N+](=O)[O-])c2)cc1Cl 1875188838 MFXOASDQUSJELC-QPJJXVBHSA-N 427.796 4.965 30 10 IJEE CCCCc1ccc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)cc1 1891475840 DIDSMXZJLOBMSL-DNQXCXABSA-N 435.593 4.933 30 10 IJEE C=C(COCc1ccccc1)[C@H](NN)c1cc(Br)sc1Br 1922047902 WUSRXKOHJALUEB-AWEZNQCLSA-N 432.181 4.551 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1c(Br)cccc1Br 1937827352 UYGVBQFNZLFCRW-CQSZACIVSA-N 447.167 4.793 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 1988817557 VYCMUKWSNJMZBC-OCHXJIAHSA-N 425.545 4.794 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCN(C)C(=O)OC(C)(C)C)c1 2002702925 PFSXFZWXQKMFII-HSZRJFAPSA-N 433.549 4.976 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 2045250616 VRHXFOYZOSQCLI-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE C=CCN(CCC(=O)N(C)Cc1sc(Br)cc1C)C(=O)OC(C)(C)C 2060642821 CUOCHMVOXMSDBR-UHFFFAOYSA-N 431.396 4.591 30 10 IJEE CC[C@H](c1ccc(OC)cc1F)n1nc(C2(C)CC2)c(C#N)c1I 2080064752 XFQXLKMARKSHQD-OAHLLOKOSA-N 439.272 4.558 30 10 IJEE CCOc1ccc([C@@H](n2nc(CC)c(C#N)c2I)C2(C)CC2)cc1 2080079901 NATHDKKKMVZBID-QGZVFWFLSA-N 435.309 4.710 30 10 IJEE COC(=O)[C@@H]1C(=O)C(C)=C2O[C@]3(C[C@]2(C)[C@@H]1C)[C@H](C)CC[C@@H]1C(C)(C)C(=O)CC[C@]13C 2080459293 XKJJMXDQESYKLS-UJDIGWBDSA-N 430.585 4.875 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1F 2089287297 WKZWUADIAJFTKC-WMZOPIPTSA-N 427.358 4.936 30 10 IJEE Cc1ccc(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C#CCCO 2095883711 QHVDFNZQPDXSIP-UHFFFAOYSA-N 440.587 4.503 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccccc1 2124520075 QTKHFQFSWAIZBD-SFHVURJKSA-N 444.381 4.513 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)cc2F)NC)C1 2126682502 GMLYJFFHTCLXQD-KRWDZBQOSA-N 427.358 4.580 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](Nc2cc(Br)cc(F)c2C#N)C1(C)C 2127897977 NPYBHYHYMAPJNE-MEDUHNTESA-N 426.330 4.811 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(c2ccc(C#N)cc2Br)CC1 2174767081 GBEWIOOWDWTTOC-OAHLLOKOSA-N 448.283 4.699 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CCCNC(=O)OCc1ccccc1 2220460835 ZKOMLWSYXSQXQG-NRFANRHFSA-N 443.385 4.875 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2235720636 PUSOQOVQCVVYTD-GDBMZVCRSA-N 449.311 4.624 30 10 IJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2248474180 OCOFRBJICKGDEZ-XZOQPEGZSA-N 427.633 4.596 30 10 IJEE C=CC[C@@]1(COc2ncnc(C)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2272229631 PVYUKBNYZQVPQD-LJQANCHMSA-N 426.355 4.520 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296125315 AMPUFZZAMWGBAY-QHCPKHFHSA-N 442.471 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C#Cc1ccc(Br)cc1 2296273614 QBYLMFFUOJHSOU-IBGZPJMESA-N 428.326 4.506 30 10 IJEE C[C@@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2317357342 WRFCMVIFHMVGHM-KRWDZBQOSA-N 432.370 4.656 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1OCc1ccccc1Cl 2321884127 XZRAARZYSVKHFB-SFHVURJKSA-N 444.944 4.542 30 10 IJEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1cc(OC)c(OC)c(OC)c1)C3=O 2322092269 QLZMPVMEEJEDBE-HNNXBMFYSA-N 439.508 4.587 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1N=Cc1ccc(Cl)c(Cl)c1 2322214402 BNHPWTRFQKKXEH-UHFFFAOYSA-N 435.336 4.900 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C=CC(=O)O)cc3)ccc2C1=O 2323606821 ARRWOXLGXLGSKX-UHFFFAOYSA-N 426.424 4.928 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325081470 WJJHUEGVNDVUBU-SFHVURJKSA-N 425.437 4.630 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(OC)c(O)c(OC)c1 2325517822 UVFQGUXJGPHDOU-UHFFFAOYSA-N 444.532 4.657 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325734074 URFYRVGRPRSUBM-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1cc(C=Nn2cnnc2SCc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 2326315654 XYWLRTQJFNIYIU-UHFFFAOYSA-N 440.569 4.776 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)cc1OC 2327970555 VRZRJIVHVHJENW-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1cc(OC)ccc1OC 2328769747 NNKGXOZTXCRBBR-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccco1 2330810565 TYIGRQGEEVWJOE-UHFFFAOYSA-N 425.558 4.635 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(F)cc1F 2330854639 VKBYNWJYTHMEKX-UHFFFAOYSA-N 449.571 4.568 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331170267 LFRCOASKOHYNOZ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2)c1 2331362260 PGKJDYBEGJZTKW-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2c[nH]c3ccccc23)c1 2331678821 TXQDSLLXOYTARP-UHFFFAOYSA-N 432.553 4.804 30 10 IJEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)C)cc2)cc1OCC 2332187166 DHSRTYASORDHER-UHFFFAOYSA-N 445.523 4.712 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(COC)c1 2337130245 HGNZSSSRKZPFIE-ZWKOTPCHSA-N 427.383 4.716 30 10 IJEE C=C[C@H](C)CCN(C)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2378199976 YPVQKTIVHZCPRD-XPTSAGLGSA-N 425.186 4.717 30 10 IJEE C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nc2sccc2c1=O 10494141 SVXJANGQQCDPKC-MRXNPFEDSA-N 439.606 4.563 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O 23559694 UFMUQQSCIJKYAM-ZBFHGGJFSA-N 427.595 4.619 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c(OC)c1OC 34799463 JHJJTPLIWGHOOD-FYJGNVAPSA-N 438.476 4.814 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(OC)cc1 40098334 MEPWISPJBYUQJQ-OAQYLSRUSA-N 435.476 4.828 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4ccccc4)CC3)C2=O)cc1 41585124 DCFBDLSLVNFDGE-UQQQWYQISA-N 426.516 4.639 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)cc1 41587305 XWQHQKQROUZTQU-FMCGGJTJSA-N 441.483 4.750 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 62898090 GSRBVLSDDQTXSN-UHFFFAOYSA-N 445.454 4.539 30 10 IJEE CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc3c(c2)OCCO3)cc1 72471577 WARSVMBJSPVAEQ-CLOONOSVSA-N 442.519 4.588 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(NC(C)=O)c(OC)c2)cc1OC 97465963 MUCNRECHXPQGPE-UHFFFAOYSA-N 435.318 4.602 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1C 98078957 WDLWVWKRACFZKI-UHFFFAOYSA-N 447.560 4.689 30 10 IJEE COCC/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C(/C)c1ccc(-n2ccnc2)cc1 105806659 MOMUGFHAOHTMHF-SFRRYEAKSA-N 445.592 4.839 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)c(OC)c1 137158037 QGMCGDPCNYHAAX-NHDPSOOVSA-N 447.358 4.541 30 10 IJEE CCCCCCOc1ccccc1C(=O)/C=N\Nc1nc(-c2ccc(OC)cc2)cc(=O)[nH]1 169897191 HYWBLRHTNORNMA-ONUIUJJFSA-N 448.523 4.685 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(C)C 169904487 WKFJQKVGCXOPNJ-FSJBWODESA-N 438.977 4.764 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc([N+](=O)[O-])c1OC 169942907 LBNUYJULPZILKU-NHDPSOOVSA-N 428.470 4.580 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccn2)cc1 169994769 PYYDQHDEHIZAAX-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)cc1 169996534 KUSMQPMXGIFVJM-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@@H]3c3ccccn3)nc2c1 170000041 QJNZSAXRIOLWNJ-FQEVSTJZSA-N 444.878 4.703 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170029031 SGDBPEFUAPMPJB-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE Cn1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085734 XGRCJHJYMTVPRN-QFIPXVFZSA-N 445.475 4.607 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2O)c1 170141452 KRZVCVJTCATMEQ-XMMPIXPASA-N 441.483 4.809 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccnc2)c1 170189528 SJWFUNTYJQSIQD-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]1c1cccnc1 170195416 FVFQDWLDKVHYAA-LJQANCHMSA-N 440.883 4.868 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccncc1 170207947 LOPBOFQGZLFQFL-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCC2)c1 170218768 AJEIDQXCZVXSMR-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)cc1OC 170238848 VEITXPLXAANRNZ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c[nH]c2ccccc12 170256150 PLMKUUXVBGVDRZ-JOCHJYFZSA-N 432.476 4.665 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170256673 BBBIYXOYIPPVRN-NRFANRHFSA-N 430.485 4.714 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)c1 170258051 YBCPVZFQGPWOPJ-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccccc1C 170275915 SJMLXZNYBLKBNX-HXUWFJFHSA-N 443.927 4.580 30 10 IJEE COC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2C)cc1 170424333 LLKFCGYPBOGISN-HSZRJFAPSA-N 441.483 4.560 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)ccc1OC 170441154 BHJAWOKMHHUDEX-HSZRJFAPSA-N 439.508 4.623 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 170474217 GEMQJNXXEPYXFM-QFIPXVFZSA-N 425.500 4.776 30 10 IJEE N#Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(F)c1 237710936 JQXQZPYOCWVILL-UHFFFAOYSA-N 430.233 4.918 30 10 IJEE COc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)cc1OCc1ccc(Cl)cc1 252607835 HFALIEYIDMRDML-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE C=CCN(CC=C)[C@@H]1CC(C(=O)OCC)=C[C@@H](OC(CC)CC)[C@@H]1N(C(C)=O)C(C)(C)C 301054741 IFQIYQMUGWXRFJ-WXFUMESZSA-N 448.648 4.512 30 10 IJEE N#CC1CCC(CNC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 440996172 FZZMVVJSFYAFGP-MYKUNDNFSA-N 441.373 4.757 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC1 461578351 LETKXCJOWCNRIW-MRXNPFEDSA-N 435.018 4.874 30 10 IJEE CN1CCC[C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H]1c1cccs1 487884677 SXIYWCWPMHTERI-RDTXWAMCSA-N 433.375 4.587 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)o2)cc1 508227737 WFLPMGIKOVZJRQ-UHFFFAOYSA-N 431.370 4.692 30 10 IJEE C=CCOc1c(Br)cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1OCC 539926654 ATMOHIVUBBNTJB-APWZRJJASA-N 434.378 4.692 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 549253284 RMHMJUCWXIWNNE-CVDCTZTESA-N 436.531 4.581 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 549264682 MBANSTRHNLSJTM-UHFFFAOYSA-N 433.531 4.824 30 10 IJEE C[C@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC1 549683266 YOXHRTHWRZUTMN-VQTJNVASSA-N 445.567 4.738 30 10 IJEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549733478 ILFCPEIZCNFJML-NRFANRHFSA-N 448.958 4.522 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)C)CC1 576609189 IPWWKJXRPVOHAE-UHFFFAOYSA-N 425.621 4.698 30 10 IJEE C=C(CC(=O)/C=C/c1ccc(C)cc1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585826869 XSGDSCDKEXOODR-OUKQBFOZSA-N 445.607 4.967 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2CNCC[C@@H]2NC(=O)c2ccc(-n3cccc3)cc2)cc1 585837935 SEGBCQVXFKGYTA-XWDWVCGHSA-N 441.575 4.591 30 10 IJEE N#Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2Br)c(F)c1 609229349 HGYORLYAMWOZHK-UHFFFAOYSA-N 444.235 4.716 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 619818774 HEJFPOSXZMUUSW-XMMPIXPASA-N 444.539 4.867 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669807701 FUCWSIJEEBEHFK-AVRDEDQJSA-N 427.508 4.666 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)c(Br)c1)c1ccc(F)cc1 721301426 GFAWHELFVWNNNG-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 732473510 WKBRKIDIXREBFA-LEWJYISDSA-N 443.588 4.573 30 10 IJEE COc1ccc(-c2noc(CSCc3cc(Cl)ccc3OCC#N)n2)c(OC)c1 735317694 FJCFTDXBUMJPFV-UHFFFAOYSA-N 431.901 4.743 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c2)s1 740434011 BQPDGSXBEMLKJI-UHFFFAOYSA-N 430.533 4.844 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CNC2(c3nc(C)cs3)CCC2)c1=S 764113939 RMFJFFGNFKWJDD-UHFFFAOYSA-N 445.589 4.710 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1)c1ccccc1 816986418 FMDNNKAIENUOQK-IEZKXTBUSA-N 432.564 4.900 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)O[C@@H]1CCc2c(OCC3CC3)cccc21 1127191797 CUNBHQYZAALMEW-OAQYLSRUSA-N 442.309 4.719 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2c(C(=O)OCC)ccc(Cl)c2OC)cc1OC 1131415631 GLOYSBFWEKHKQM-XYOKQWHBSA-N 445.899 4.751 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 1136341032 MRSWBVDLECUYSC-OALUTQOASA-N 449.389 4.713 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)cc1 1157327384 RWILFCYMOSFHLO-CTUHWIOQSA-N 432.564 4.652 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 1158880545 BDGCVBWIGRREIY-BLLLJJGKSA-N 441.359 4.772 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Br)s2)n1 1159779638 VZYZLQRXXUEWHD-GFCCVEGCSA-N 425.373 4.774 30 10 IJEE Cc1ccc(-n2c(SCC(=O)N3CC(C#N)C3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1159860262 HHFZXADMBRLZQI-UHFFFAOYSA-N 445.592 4.614 30 10 IJEE Cc1cc(F)ccc1N(CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1ccc(C#N)cc1 1167851292 GZMRMPGDOMJZNQ-UHFFFAOYSA-N 444.510 4.978 30 10 IJEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1171266022 DASIVVCYELHREU-ZACQAIPSSA-N 445.629 4.515 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1193346841 YUPZWSKSWCGBSO-OXQOHEQNSA-N 438.515 4.744 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC(Cc2ccc(F)c(F)c2)C1 1206202552 GDDIBLPRUNUDOW-UHFFFAOYSA-N 437.284 4.999 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1ccc(Cl)c(I)c1 1219211671 QXSULOMEFFDVIA-UHFFFAOYSA-N 430.673 4.800 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1)c1ccc(C(F)(F)F)cc1 1224641322 JKHRXRAVBLIZQF-LQWHRVPQSA-N 439.478 4.633 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1264038617 UALMGBRMAPNEPN-ROUUACIJSA-N 444.622 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCSC1 1286273679 GEFHZTMWJBWJRL-FUHWJXTLSA-N 437.638 4.978 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1Cc1cccs1 1286327584 JITWWBFFSRSKEW-IBGZPJMESA-N 425.627 4.710 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286415569 HEHJMFLPZCLDRU-UXHICEINSA-N 444.501 4.840 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C)CC1 1286500382 WTXMMVHIMRWCDJ-INIZCTEOSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N1CCC(C)CC1 1286517077 OWVFZSCQIKHFCN-HOYKHHGWSA-N 443.998 4.850 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nccs1 1286518978 OKDSZTCPTXDEBE-YCRPNKLZSA-N 427.961 4.568 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H]2CC[C@@H]21 1286548120 UEEDTLOYPKXAIL-MSOLQXFVSA-N 431.378 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1286584144 XJQMXVFYQMONMC-UKILVPOCSA-N 448.615 4.710 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(F)F 1286604101 FJAVXRVQYDIFQO-UHFFFAOYSA-N 447.299 4.531 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1[C@H]1C[C@H](c2ccccc2F)C1)C1CC1 1286731172 BQGXVCLFBKMIMU-RUCARUNLSA-N 425.552 4.609 30 10 IJEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 1286739756 NPNSSHDYKILFOI-HKUYNNGSSA-N 436.526 4.663 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCc2csc(C(C)(C)C)n2)C1 1286810104 NURVTYWBBUXUHE-LJQANCHMSA-N 429.634 4.714 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1300275582 WQAOENFDYHWDHS-ZJSXRUAMSA-N 442.611 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO[C@H]1C(C)C 1300293013 NLGQMQNVIANNDW-ZWOKBUDYSA-N 445.405 4.617 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1Cc1cc(Br)cs1 1300629533 XYTDWHVXWFKAQC-UHFFFAOYSA-N 429.387 4.509 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](C(C)C)C1 1300775839 AQGRMCWRDQJBKV-FQEVSTJZSA-N 446.711 4.823 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)CCC 1300849704 SGFFGHRLJNGEKJ-KDOFPFPSSA-N 435.366 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H](C)C#N 1300870980 WQYWAHMZJPZWNF-FOUBCARRSA-N 439.629 4.708 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCOC[C@H](C2CCC2)C1 1301155799 VUQBGDIRVBMQJI-JOCHJYFZSA-N 438.616 4.755 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N2CCCC2=O)CC1 1301209006 IXDJJYUWEODPHO-UHFFFAOYSA-N 448.398 4.809 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCc2ccc(Br)cc2C1 1301221748 OCFVUBCGZNRALU-LJQANCHMSA-N 431.378 4.811 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CC=C(C(F)(F)F)CC1 1301241036 LWOQEYHONDIKIS-UHFFFAOYSA-N 426.870 4.890 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@H](F)C1 1301337368 FKOQTOMKFPHGCW-NJDAHSKKSA-N 428.552 4.512 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CC[S@](=O)C(C)(C)C 1301364975 DDAZLTUDQRSJLB-LJAQVGFWSA-N 434.675 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccnc1OC 1301375081 HTBVMBUMTDMFER-KRWDZBQOSA-N 435.597 4.762 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(Cl)s2)cc1 1301527105 UKDWYDPGSQDPLF-QGZVFWFLSA-N 444.988 4.746 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(OC(C)(C)C)nc2)cc1 1305916330 DKBWDIJMSBJVNB-GOSISDBHSA-N 432.572 4.724 30 10 IJEE O=S(=O)(NCc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1C(F)(F)F 1309728666 IEVMKSSHYSOTTF-UHFFFAOYSA-N 435.748 4.995 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 1312987904 IIVRFHCBBDWBPS-STZQEDGTSA-N 445.579 4.916 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)C1 1323758977 AQYUZEDXQWECGS-PXNSSMCTSA-N 433.321 4.664 30 10 IJEE C=CCc1ccc(OC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c(OC)c1 1349158024 HVPTYXAOAWGGAP-UHFFFAOYSA-N 428.550 4.733 30 10 IJEE C#CCSCC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1354312534 NFBCGHYRRHGGDQ-GOSISDBHSA-N 439.433 4.637 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCNc1ncc(Cl)cc1Cl 1358876053 BBLPPCGPZJSRQQ-ZDUSSCGKSA-N 449.773 4.870 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1358904536 GMEFLEOCRADKCP-ZWKOTPCHSA-N 430.980 4.879 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1C 1358918407 TVMMYPLYXJKHTJ-FQEVSTJZSA-N 441.576 4.691 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(C)C[C@@H](C)CCC 1359087438 GAZKMYUXXAVXFA-AWEZNQCLSA-N 425.346 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](CCC)C1 1359092791 GJDCQPRHCOZYRN-GIVPXCGWSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(C2CC2)C1 1359108801 DHAGDAWVJXQXTP-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)CCC(C)C)CC1 1359158740 DCXWBTQCQYYBDC-YADARESESA-N 430.568 4.901 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(C)s2)CC1 1359173081 UCZAOAWAWXYOFL-UHFFFAOYSA-N 435.597 4.968 30 10 IJEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC(CC)(CC)SC)C1CC1 1359249434 ATNOETLMZOFEFN-UHFFFAOYSA-N 438.601 4.671 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OC)nc1 1359275964 MHDDYBTURUANGQ-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(Cl)s1 1359282940 XVMYVQZDQVFASV-UHFFFAOYSA-N 441.988 4.752 30 10 IJEE C#CC[C@@]1(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1361026672 JHNIIIPOCFJLNC-CUBQBAPOSA-N 446.591 4.922 30 10 IJEE C=CCN(C(=O)COc1ccc(C(C)(C)CC)cc1C(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1435069911 UUQCQTNTUHCBFD-FQEVSTJZSA-N 449.657 4.642 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 1435620779 KTPQTTAUBWMNTL-OAQYLSRUSA-N 431.513 4.501 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 1436641205 FPMYRHCNAGYZHT-UHFFFAOYSA-N 429.314 4.520 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)c1ccccc1 1438918464 ICVSJNSNVGWEKU-HXUWFJFHSA-N 446.638 4.996 30 10 IJEE C#CCN(CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1)C(=O)OC(C)(C)C 1442180435 GGQHISLCAJDSQU-UHFFFAOYSA-N 438.490 4.504 30 10 IJEE C#C[C@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1450274545 REYQNKDDJSSMEK-WBAXXEDZSA-N 437.378 4.569 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)cc1 1450611778 ULZNCSCWOXXADB-XXBNENTESA-N 444.369 4.529 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC(C)(C)[C@@H]2c2cccnc2)n(-c2cccc(F)c2)c1C 1460541060 HXUWXWJVSZSOSV-QHCPKHFHSA-N 431.515 4.522 30 10 IJEE C#CCC1(NCc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)CCOCC1 1460802645 SLFTWAPVAGLXGS-UHFFFAOYSA-N 447.604 4.501 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(CNC(=O)OC(C)C)cc1 1461326193 LHURUSRWDQZRPA-UHFFFAOYSA-N 431.330 4.708 30 10 IJEE Cc1cccc(C)c1OC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 1463292696 BBQCYEIRAYSUFI-NRFANRHFSA-N 442.487 4.552 30 10 IJEE Cc1cccc(Oc2ccccc2NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1465098620 BWRLDPXDCSUURX-FXAWDEMLSA-N 436.512 4.668 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 1465381047 CWPRDKZWSUZLAA-GOSISDBHSA-N 443.345 4.828 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)NCCc3ccc(OCC(F)(F)F)nc3)c2)cc1 1467323410 HSUZYKDMIOIVIL-UHFFFAOYSA-N 440.425 4.610 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)[C@@H]1CCCO1 1469868225 PCXJRGZAJFHJQW-FPOVZHCZSA-N 432.442 4.820 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(NC(=O)CC)ccc1Cl)c1ccc(Br)cc1 1475976483 WKFBRMUHUWHVJK-MRXNPFEDSA-N 434.721 4.947 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 1476224836 SLSWBZHOLWXULV-XMMPIXPASA-N 445.535 4.625 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCCn2ccc3cc(Cl)ccc32)cc1C#N 1476313400 GEZWESNTDHZIEW-UHFFFAOYSA-N 425.876 4.556 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1 1477465398 WCFLREFYQAIVLC-PXAZEXFGSA-N 436.147 4.946 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(C(F)(F)F)cc1 1478273157 STNVFJMZBWBQJO-WOJBJXKFSA-N 437.506 4.946 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cscc1C 1507531008 ZJRZEYATRWFYNY-GOSISDBHSA-N 432.549 4.993 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCc1nc(C(C)(C)C)cs1 1507685979 ZFRWLXPLTRSBSE-UHFFFAOYSA-N 444.608 4.950 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1507697949 GHYWKXWSIGRCTE-UWJYYQICSA-N 431.005 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)c1ccco1 1507803211 FMNABCNCQSHIJS-QZMQVMSPSA-N 442.510 4.919 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](c2ccco2)C1 1507838618 UZXIHLHSEBBHJK-KRWDZBQOSA-N 442.947 4.787 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCc2sccc2C1 1507849549 ZLRROZULGQRVIE-UHFFFAOYSA-N 438.597 4.691 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2c(F)cccc2F)CC1 1507878148 SXUAAQCZMXKKIF-UHFFFAOYSA-N 448.315 4.713 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1507928434 FDRMTBNHNLWSLA-MOPGFXCFSA-N 427.618 4.834 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CCCS1 1508021145 QJVACLWYFZIQHS-IEGUWTFLSA-N 447.649 4.513 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1CC1(SC)CCOCC1 1508032339 DOBFIJMRSFWGSS-UHFFFAOYSA-N 430.618 4.676 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC#N)CC1)C1CCCC1 1516153038 AOKRLDZINAQIHZ-QHCPKHFHSA-N 436.604 4.764 30 10 IJEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(CC)C(C)C)ccn1 1516885093 FYZYAUKOSNDXEL-UHFFFAOYSA-N 436.585 4.519 30 10 IJEE CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nc1 1520525519 ARWOYYGQDHUARH-UHFFFAOYSA-N 429.476 4.740 30 10 IJEE Cc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1N1CCOCC1 1522150123 IEXVMOPDJXFROJ-HXUWFJFHSA-N 425.532 4.861 30 10 IJEE C#C[C@H](NC(=O)[C@]1(CC=C)CCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1525053967 HUXGVYDULHRENR-AVRDEDQJSA-N 447.373 4.585 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1 1525754977 HAONOXHFULEXND-UHFFFAOYSA-N 444.491 4.970 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(-c2nnnn2C2CC2)c1 1528691111 RGLLKBCPZINQIF-UHFFFAOYSA-N 443.429 4.819 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 1528714826 XZPMDZFTHIUSKF-DEOSSOPVSA-N 433.573 4.886 30 10 IJEE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ncc2c(c1C#N)COCC2 1529114923 CDTQJZODLNEBDR-UHFFFAOYSA-N 444.438 4.729 30 10 IJEE C=C(C)[C@H](NC(=O)c1cnc(Br)c(Br)c1)c1ccc(F)c(F)c1 1529493488 YKLZDJLCWMLGFN-AWEZNQCLSA-N 446.089 4.932 30 10 IJEE CCOC(=O)[C@]1(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCc2ccccc21 1529867442 BETIZOOUFXOVBH-MHZLTWQESA-N 440.499 4.680 30 10 IJEE C=C[C@H](CC)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1531672187 LWNTXGZZBPEYER-KPFFTGBYSA-N 434.552 4.646 30 10 IJEE C#CC(C)(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1537968157 PYCUJZSQXCMKSC-UHFFFAOYSA-N 428.923 4.942 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCSc1nccs1 1538970727 FASATVKGWJRZPE-HOTGVXAUSA-N 445.589 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1538983779 XHDPUPQWEWENBS-SJORKVTESA-N 432.515 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](CC(C)C)N(C)C 1538983912 ZBQLVBOXJCJNEC-CMKODMSKSA-N 427.662 4.566 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)N1CCCCC1 1539295806 GNLUNPUOGMBCOM-XMMPIXPASA-N 431.628 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1C 1539319792 GWZUHQSEZCMARS-MSOLQXFVSA-N 425.374 4.607 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC(CC)(CC)C1 1539682111 JBVNKMXARSCCQR-UHFFFAOYSA-N 427.618 4.835 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(c2cccc(OC)c2)CC1 1539757859 BLPUFIOZOAGQSK-UHFFFAOYSA-N 438.616 4.996 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1Cc1cccs1 1539821767 WPDCNERYZPMQQR-KRWDZBQOSA-N 444.988 4.891 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539835796 HTKITVGNOGCMFX-OAHLLOKOSA-N 449.958 4.807 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1539948125 UKXPDUKOLCEKNU-NRFANRHFSA-N 430.556 4.584 30 10 IJEE Cc1cccc(COc2cccc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c2)c1 1540470775 DKXQIFMJHXAUSJ-SANMLTNESA-N 443.522 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2c[nH]c3c(CC)cccc23)C1 1540893173 YFZZEORQSXBYHW-OAQYLSRUSA-N 435.616 4.934 30 10 IJEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1 1546074104 HOEGWQDOFXPAPL-QFIPXVFZSA-N 438.314 4.501 30 10 IJEE C=CC[C@@H]1N(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CCCC1(C)C 1556416105 LSYMIDYOXDVUPP-IBGZPJMESA-N 432.611 4.685 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1 1557328373 LHTBNSWDKUMZBM-LLGFUMIMSA-N 449.567 4.627 30 10 IJEE Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(F)cc2C#N)s1 1561084915 IFLCZQCHQIUVKO-UHFFFAOYSA-N 428.554 4.809 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)c1 1561226898 OXADUFSYTQXINV-UHFFFAOYSA-N 448.260 4.544 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1)c1ccc(F)c(F)c1 1562614441 CMXRLCAFJXFUOM-FQEVSTJZSA-N 426.471 4.811 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@H]12 1565538173 ZXKJZOJZCOHWGC-NKGRKIGWSA-N 429.004 4.776 30 10 IJEE C=CCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2 1566895001 XSJJPBSMOGWXPY-SQFISAMPSA-N 449.913 4.546 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCc2ccc(F)c(C)c21 1584067763 BVXIAXSXFXVJSD-UHFFFAOYSA-N 447.304 4.525 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cn(CCCCC)nc1C 1587604797 ZGMCQLXZIYWKNN-LJQANCHMSA-N 441.583 4.695 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1csc(Br)c1 1587758896 JEUOYYZLSRVIOG-INIZCTEOSA-N 437.407 4.784 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CCC)CCC1 1588378254 HXYFFSWQDRMGPM-HXUWFJFHSA-N 443.636 4.823 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1589008614 XSNYSMBDRRNLTQ-IEBWSBKVSA-N 444.670 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1589185957 MVUPCGGCRGWTRE-LGVUCKNBSA-N 449.643 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 1589547614 VGRFLUFLAOPLEW-ZHRRBRCNSA-N 430.543 4.689 30 10 IJEE C=C(C)Cn1c(N(C)C[C@@H](C)c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593678098 WNDIWQISWKOFCZ-NRSPTQNISA-N 439.604 4.865 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@@H](C)C1 1593840365 HQSSBHABLSCYNR-ZDUSSCGKSA-N 427.799 4.710 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1594687518 UAUQIIBXROWKQK-UHFFFAOYSA-N 441.923 4.511 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C(C)C)N1CCCC1 1594857909 TXPWWZBKFUJNDQ-GHTZIAJQSA-N 432.012 4.814 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1594857993 VMRRDMJTHQPXCZ-UGKGYDQZSA-N 441.595 4.977 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC(C)C)c1 1594885845 QFYVJZBAKVZTLO-UHFFFAOYSA-N 444.377 4.741 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CC(=O)N(C)C1CCCCC1 1595127052 DAZRXYNKPICTFC-IBGZPJMESA-N 441.595 4.914 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCC[C@H]1C 1595149890 WYMSHHIIAQIKMW-KOSHJBKYSA-N 438.597 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1OCC 1595161499 BTKRVXOBLJLLLZ-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCOc1cccc(Cl)c1 1595191418 SNUKLTLAZMJNGZ-UHFFFAOYSA-N 430.339 4.904 30 10 IJEE C#CCNC(=O)[C@@H](C)SC1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 1613122734 AXDAYMDSZUDOLA-CCQQXMDGSA-N 445.588 4.733 30 10 IJEE C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1614569325 AYWKCVRDCSRSFA-ZDUSSCGKSA-N 446.359 4.975 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2CC)C1 1616615201 HPXKBDDFSDKGJI-QZNHQXDQSA-N 437.588 4.560 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)cc21 1618039046 KUEPMSROPXGEDM-UHFFFAOYSA-N 428.830 4.646 30 10 IJEE COc1ccc([C@H](C)CCn2c(Cc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1619154165 BMSQOUHNLNKDDB-FQRUVTKNSA-N 444.583 4.596 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(OC)c(Br)cc1Cl 1626464247 QUNHNUYMPHCIPY-UHFFFAOYSA-N 427.657 4.906 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)nc1C 1627230240 MOVIBOXKACQDLA-FVQBIDKESA-N 449.646 4.601 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1627938350 QWKPJHVEZIFUGM-YADHBBJMSA-N 445.390 4.818 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1)C(C)(C)C 1628948355 STIAEOGRVDYLFM-GOSISDBHSA-N 431.305 4.618 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 1630616727 CBHSNAILPZQUNV-QGZVFWFLSA-N 437.968 4.579 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1633060233 RQXSOQAEVVGWFI-GBESFXJTSA-N 440.506 4.898 30 10 IJEE C=CCCC(C)(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1633779098 OXPUYUORPCRKMH-UHFFFAOYSA-N 443.632 4.797 30 10 IJEE C#CCOc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 1634333653 AZQVJBTZEYJIEA-UHFFFAOYSA-N 426.303 4.932 30 10 IJEE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NCCc2ccc(C#N)cc2)cc1 1636897443 CZULMIAZTMTFLW-UHFFFAOYSA-N 429.520 4.530 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 1639991864 IIKOMUNHSGGTJQ-KRWDZBQOSA-N 434.487 4.553 30 10 IJEE C=CCCC1(CNC(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)CCCC1 1641356668 FYUFDLGZUKIORQ-UHFFFAOYSA-N 426.561 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1c(F)cccc1N1CCCC1 1649542059 JIXOECCOOFBYBE-UHFFFAOYSA-N 434.563 4.839 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)cc1OC 1650993016 BNNJYJVZRASOOT-UHFFFAOYSA-N 443.503 4.988 30 10 IJEE C#CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CCCCC1 1652528017 KSXPVMZFPZRTDN-UHFFFAOYSA-N 448.947 4.736 30 10 IJEE C=CCOc1cc(C(C)(C)C)c(I)cc1I 1653037056 MICLWHIATFTDLC-UHFFFAOYSA-N 442.078 4.758 30 10 IJEE COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H](C)c1cccc(C#N)c1 1653100047 GIWTUVQTGWCGHQ-CYBMUJFWSA-N 429.307 4.688 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1csc(Cc2ccccn2)n1 1656340527 NOQOWXNOBGENLB-UHFFFAOYSA-N 435.578 4.778 30 10 IJEE CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)S(=O)(=O)CC1(C#N)CC1 1661537549 FMCDVCPKZWJZIR-UHFFFAOYSA-N 426.582 4.646 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)cc1 1662221895 ANMDHISNHAPFFM-GOSISDBHSA-N 429.586 4.718 30 10 IJEE Cc1nc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1-c1ccccc1 1662341688 GVCNVWYEXAYWMK-UHFFFAOYSA-N 425.536 4.715 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccc([Si](C)(C)C)cc2)cc1OC 1662891703 AEALKALNAUNCGX-UHFFFAOYSA-N 448.477 4.900 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(-n2cnnn2)ccc1C)c1ccc(C(F)(F)F)cc1 1665951518 YEIHQOQXBARKIS-SFHVURJKSA-N 430.434 4.819 30 10 IJEE COc1ccc2c(c1)OC[C@@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 1667514107 GCXGACSPROQQLF-SFHVURJKSA-N 433.439 4.623 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)cc1 1667694203 YACMAQMMGCMHJA-UHFFFAOYSA-N 437.297 4.680 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCCc2cn3cc(Br)cc(C)c3n2)c1 1668760453 KLDJBIITOPIZKL-UHFFFAOYSA-N 443.345 4.724 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)c(C(=O)NCCN(CC)CC)c1 1669491128 VBMTXCLJQQQSFB-UTKZUKDTSA-N 435.012 4.668 30 10 IJEE CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)n[nH]1 1671278939 IELSCPZXEYAXRO-CABCVRRESA-N 434.548 4.556 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(Br)cccc21)c1ccc(Br)cc1 1674030339 DMJLDOINKFFGGD-INIZCTEOSA-N 434.131 4.658 30 10 IJEE Cc1cc(Oc2ccccc2)ccc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1674275049 FOFVEXCDGZKEBD-UWJYYQICSA-N 436.512 4.668 30 10 IJEE C[C@H](CC(=O)OCc1ccccc1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1674397098 AXJCUXJHZFXRHF-GOSISDBHSA-N 429.476 4.994 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1677240419 LQTCWKIWCVOSIT-PKTZIBPZSA-N 439.987 4.556 30 10 IJEE C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CCN(Cc2ccccc2)C1 1677898455 BEWHNTPILAOSJJ-AUSIDOKSSA-N 444.604 4.997 30 10 IJEE CCOC(=O)C[C@@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)CC(C)C 1679507274 GSLCPPDXYKRRHG-SFHVURJKSA-N 427.570 4.701 30 10 IJEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)C1 1681936209 DJRVFLKTMNBYME-IBGZPJMESA-N 432.351 4.683 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1689939802 CYGRGPBPQYVHLY-MRXNPFEDSA-N 438.519 4.771 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCCCN1CCC 1690033528 ZSPADCXLKRAMNQ-RPBOFIJWSA-N 431.628 4.547 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690062608 WGLZTDIYGLADJH-OFNKIYASSA-N 446.599 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(C)(C#N)CC1 1690250911 MYTBJMVNFMSJMZ-UPVQGACJSA-N 433.600 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1690265025 IRYFPGCEGITKSD-RPWUZVMVSA-N 437.632 4.720 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC2(CCCC2)C1 1690279955 NWKAVXZSRLRQTB-UHFFFAOYSA-N 435.341 4.572 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690349418 YCLUXNMLVNROCS-UHFFFAOYSA-N 427.952 4.792 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(OC)CCCCC2)CC1 1690404903 XGTJZTUODVBZMZ-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(OC)C1 1690499825 BIPNBFSQFZFEBN-MHECFPHRSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@](C)(O)CCC(C)C 1690517792 PLDZTGRFIDSKEB-FQEVSTJZSA-N 439.373 4.656 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCC(C)CC1)C1CC1 1690536510 ALOPAMBRSRGIQW-IBGZPJMESA-N 444.023 4.958 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccc(F)cc1 1690587924 BUJIHLCBYSTSCX-INIZCTEOSA-N 427.911 4.779 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCc1scnc1C 1690604749 YTZXLGJNUSZGKV-NRFANRHFSA-N 437.613 4.762 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(C(F)(F)F)c1 1690607542 OWYJUMJFKOQRRW-UHFFFAOYSA-N 442.445 4.563 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@H]1C 1690737787 XMKGKWNNLCWSPT-QZTJIDSGSA-N 430.618 4.895 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CCC(C)C 1693521353 GNYNESINTCBUKZ-SFHVURJKSA-N 445.571 4.992 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CCc2ccccn2)c1 1698483999 CFSCVGRTAAHNFA-UHFFFAOYSA-N 440.473 4.623 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705682532 CPVLQAODLSYIMU-HOCLYGCPSA-N 436.785 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1705704724 YQWAPNXOXCTLCB-OFNKIYASSA-N 435.547 4.875 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C 1705733474 ORUKBTGOPKGFNT-HOTGVXAUSA-N 437.009 4.530 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)c2ncc(C)s2)CC1 1705784633 COLZIWNGALLEOB-MRXNPFEDSA-N 441.576 4.967 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1705826225 RWVRGTWURSIYSA-JOCHJYFZSA-N 426.605 4.697 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705862587 PFINDTXYHXLRTK-NHCUHLMSSA-N 448.590 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCC[C@H]1C 1705865140 GTDABSXDOVIFNU-HOYKHHGWSA-N 438.597 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@H](O)C1 1705865350 KBESUKSGADDRCZ-WMZOPIPTSA-N 444.004 4.799 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1c(C)noc1C 1705870866 ZCQIILOLJDEMNH-UHFFFAOYSA-N 428.540 4.828 30 10 IJEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1706484524 ICCFUPGUSKFQDY-UHFFFAOYSA-N 434.491 4.627 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1)c1ccsc1 1710019286 BKAWIYUDYSMEOV-NZQKXSOJSA-N 437.617 4.548 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)cc1C(F)(F)F 1712886800 GOGKQRIFGYBVAM-UHFFFAOYSA-N 432.425 4.609 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCCCC[C@@H]21 1722465598 PAKZEQWQRMJGLC-QUCCMNQESA-N 428.577 4.522 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1722477759 LGBPEZGBHGQOBX-PBEJRMEISA-N 444.421 4.759 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1722487789 WPZYLQJAQBGSIO-UHFFFAOYSA-N 440.345 4.797 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1)c1ccccc1 1722595698 YKZGIUXDNNJHMU-TZIWHRDSSA-N 435.538 4.657 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1722603754 MQTLNWLOCAVAJY-DNQXCXABSA-N 437.632 4.629 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1ccc(OCCC)nc1 1740676049 PQUNBXLXMYKPQW-UHFFFAOYSA-N 435.547 4.587 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=C)c1ccccc1 1740680911 RYOKYNITDLZRQK-IBGZPJMESA-N 446.620 4.931 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC(C)(C)C 1740762817 GTHHATCUDOBFPM-OFNKIYASSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccsc1)N(C)C 1740775073 MCDASKYNYGSPBC-NRFANRHFSA-N 427.593 4.775 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCSCCCO)CC1 1740820656 MBBZUQPLPQCTCQ-UHFFFAOYSA-N 427.401 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(c2ccnn2C)CC1 1740846689 HVSDPXPJYRHBHD-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1740847641 PBVDOKMWGQQIAJ-UHFFFAOYSA-N 435.572 4.904 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1740848925 UPDGDXCKTYTILL-QHAWAJNXSA-N 430.637 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740849274 DGWFNXYRVPXHTH-QHCPKHFHSA-N 448.615 4.574 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2ccc(Cl)nc2C1 1740870414 NAWAEWIQKMNNRG-UHFFFAOYSA-N 439.947 4.540 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CC2(C)C)C1 1740978446 VDDFCTNVDKCBSS-CVEARBPZSA-N 431.378 4.535 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccc(C)s1 1740998749 QJEVZEWTPBUBEB-UHFFFAOYSA-N 428.583 4.599 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740999882 QQHOFMIJZNXVOO-GOSISDBHSA-N 443.020 4.864 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@](C)(OC)CC1 1748738940 UNRIJXNJDAMICQ-RUZDIDTESA-N 440.588 4.550 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1nc(C)c(C)s1 1748777607 SWINQSWBGBCYJL-UHFFFAOYSA-N 447.564 4.503 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CC(C)C)CC1 1748833458 RPLBYUBQYZMVBG-UHFFFAOYSA-N 439.401 4.915 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCCC1(F)F 1748943569 AXDXUHHSFLRRAI-LJQANCHMSA-N 439.485 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](CC)OC 1749058598 MAYBIHJTXYDVAZ-KBMIEXCESA-N 434.540 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1749066094 GZPMNWUGNJSPSB-MIZPHKNDSA-N 428.964 4.553 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1749120630 GTPHRSDUBFOUEE-TZIWHRDSSA-N 425.964 4.710 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(Cl)=C(Cl)C1 1749219374 FQZTZDMRFCHYAE-UHFFFAOYSA-N 444.366 4.985 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1749420501 HMCGCAHCDREYNY-OAQYLSRUSA-N 440.588 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCN(C(C)C)C(C)C 1749478642 HRVPLTSNEPUUQF-UHFFFAOYSA-N 434.426 4.839 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749485012 NBRWVMOIOZFNKD-CLOONOSVSA-N 434.588 4.733 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN1CCCCCC1)C1CC1 1749508109 JIXAIGJMSYVBMD-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCn1cc(Cl)cn1)C1CC1 1749510889 AXMUPPBLHKDEFS-UHFFFAOYSA-N 437.762 4.957 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2ccnc21 1749584577 OBLHYVSLJBTWFB-JOCHJYFZSA-N 432.616 4.876 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1749590147 QBXBRPKSOHRHDK-QGZVFWFLSA-N 428.474 4.836 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCC[C@H]2C)c2ccccc2n1 1751409593 FAAXONOHAXUXAH-TZIWHRDSSA-N 445.615 4.662 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(CN(C)C(C)C)CC1 1760134465 NXWKRWMGGTYCJE-UHFFFAOYSA-N 428.024 4.959 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1c(CC)noc1C 1760238584 BFCDFZJOOLQODC-UHFFFAOYSA-N 429.977 4.590 30 10 IJEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1760278243 OENWJODVEBTJNB-UHFFFAOYSA-N 449.477 4.501 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCCC1(C)C 1760328536 XIUFXDAIUCSRFK-PGRDOPGGSA-N 442.629 4.939 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@H](C)C1 1760368559 GLLMXMURINHXGR-TXEJJXNPSA-N 446.176 4.727 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCSC(F)(F)F)CC1 1760399948 ZEUXNCLXYCRACL-UHFFFAOYSA-N 442.507 4.618 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccc2C(F)(F)F)CC1 1760403141 HYQJGKMTOBBYAG-UHFFFAOYSA-N 441.501 4.928 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760410104 TUWNUODLYIYFOZ-GOSISDBHSA-N 435.538 4.929 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1760429546 HQDLMRLKOUZUAR-QFIPXVFZSA-N 448.615 4.948 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCc1c[nH]nc1C 1760458380 ZZHJPALVXFOUCW-UHFFFAOYSA-N 449.784 4.648 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 1760471419 VFSZASMYFGRHPZ-CDXJDZJCSA-N 442.526 4.767 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1760508338 VXTZKMJHBILPDV-QAPCUYQASA-N 433.394 4.843 30 10 IJEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1760511504 NEYCWTKQVRMABE-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(n1)CCCC2 1761531984 HHDUOUOUWQIWOL-QZTJIDSGSA-N 448.546 4.618 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2C)CC1 1762840111 HETDTMIEEVTVRM-YKSBVNFPSA-N 434.632 4.810 30 10 IJEE CN(C)c1ccc(/C=C2\SC(=NN=Cc3ccccc3O)N(Cc3ccco3)C2=O)cc1 1772757550 QEYGCXXBPHYFLB-KGXKECERSA-N 446.532 4.558 30 10 IJEE CCCCOc1ccc(/C=C2\SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 1772763428 PYTWQXQWUPNNQF-KWKLDLJFSA-N 440.521 4.806 30 10 IJEE CC(=NOC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCOCC1 1848353083 HKOBMBXYMMXWLT-UHFFFAOYSA-N 442.825 4.563 30 10 IJEE C=C(CN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1857785414 MNCSFOVPJYMKBI-UHFFFAOYSA-N 449.206 4.599 30 10 IJEE COCCN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H](C#N)c1cccc(Br)c1 1857959924 BCDVFDGLNBCJSE-QGZVFWFLSA-N 441.247 4.821 30 10 IJEE N#Cc1cccc(NC(=O)c2ccnc(NC(=O)C(c3ccccc3)c3ccccc3)c2)c1 1860505708 NAWCHYMLOVKRAD-UHFFFAOYSA-N 432.483 4.976 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)C1CCN(CC)CC1)c1ccccc1 1861160076 WXYSCWZOTPYBCA-XMMPIXPASA-N 429.649 4.833 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C)cc1 1862429272 JKYYCMGDAHOZNA-JOCHJYFZSA-N 440.971 4.959 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862479839 QXUHNAODIDPFSG-QHCPKHFHSA-N 437.536 4.525 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl 1862611963 XZAHJUFMIXVWQV-LJQANCHMSA-N 448.302 4.753 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1F 1862662101 HLXXZQUYUSGIOF-QHCPKHFHSA-N 438.543 4.869 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862688813 BDCOZHZRHFXYCP-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(Br)c2)c1 1862708404 USVSYSQBWMZNHJ-IBGZPJMESA-N 444.325 4.692 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862715440 VIYRAGCNAONOLZ-BXKMTCNYSA-N 429.516 4.922 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCCO)cc1 1862721482 GDOGTVQDAPTKGR-DEOSSOPVSA-N 427.500 4.623 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 1862725710 PQEXJNCOOJWFEC-HSZRJFAPSA-N 447.918 4.968 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccccc2F)C1=O 1863647870 CDIGKWLTQDDZHU-UHFFFAOYSA-N 431.596 4.588 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc(C(C)(C)C)cc1 1865128986 PRUXMKJFFGMBTB-NRFANRHFSA-N 448.611 4.658 30 10 IJEE CC[C@](C)(NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866772319 RHTDRQXKBGYWCB-NVQXNPDNSA-N 435.568 4.929 30 10 IJEE CC[C@@H](C(=O)N[C@@H](CCSC)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866953810 DOMQTUOVQDJFPM-UXHICEINSA-N 429.973 4.582 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 1867121458 KEYJHWWONMVAHI-RUZDIDTESA-N 425.532 4.556 30 10 IJEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CSc1ccc(C)cc1 1870281545 LCHZQNFRRFQHKX-UHFFFAOYSA-N 440.609 4.805 30 10 IJEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN1CCC(C)CC1 1870778542 CAIDCJXWQRLZSQ-UHFFFAOYSA-N 430.976 4.768 30 10 IJEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(Br)c(C)c2)cc1=O 1870815952 KBWOZMBIZAJXMW-UHFFFAOYSA-N 449.389 4.649 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871448528 SVRXNVCYUDKBCA-LPKQHDGYSA-N 434.404 4.518 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)C1CC1 1871838657 QFVDDUWKVJUSJL-QHCPKHFHSA-N 442.581 4.812 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)CCCC 1872301793 SNDCYPPKRLUUAD-LJQANCHMSA-N 447.066 4.717 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872375470 NIBRBUFBQJMZHG-JOCHJYFZSA-N 442.487 4.522 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872403904 YHOREQBIRPFZHS-JOCHJYFZSA-N 428.598 4.760 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)[C@@H](C)CC 1872605282 RBZUTDBENSPVBI-JXFKEZNVSA-N 447.041 4.518 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)ns1 1873455404 NOYDWOSPSWURHB-UHFFFAOYSA-N 446.326 4.550 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(C)ccc1C)n2CCCOC 1873656616 FUGWYRLTPGPXSK-UHFFFAOYSA-N 433.556 4.515 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc([N+](=O)[O-])c1)n2CCCC 1873656987 QPRWQHDMLQZCNN-UHFFFAOYSA-N 434.500 4.570 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)/C=C\c1ccc(Cl)cc1 1873675923 WIWSLLMFFHYZII-XFXZXTDPSA-N 435.936 4.519 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874253804 LVIKWNPUCGQVBW-LFVJCYFKSA-N 438.553 4.681 30 10 IJEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874407083 DKEDWQPWFWOYCW-ZVHZXABRSA-N 434.009 4.555 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCCc2ccccc2)cc1 1874472537 KMNHKUWPMSBUCM-NCELDCMTSA-N 438.597 4.863 30 10 IJEE CCCSc1nnc(C)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874533551 OYZQLGZRUOHBMN-VXLYETTFSA-N 427.368 4.529 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)c1 1874604707 AYGNDAWBMPBWEG-CMDGGOBGSA-N 432.900 4.831 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)c(OCC)c1 1874632420 WMKIYRWYOWTIBG-JXMROGBWSA-N 448.899 4.594 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1OC 1874669073 VXJBFDQENGHDKY-DEOSSOPVSA-N 449.595 4.994 30 10 IJEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCCCCN3CCCC3)ncnc21 1875230989 VRCIOBHYYWXJOE-UHFFFAOYSA-N 440.636 4.558 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Br)c3C)ccc21 1890532082 FVWKHINKQQLOTH-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(Br)c(C#N)cc2F)C1 1963927360 QBPCUHMBHASDTO-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC#CCCCC[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2019511699 XZPIZRYXEBBEAC-OZXSUGGESA-N 427.633 4.718 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1c(Cl)cccc1Cl)c1cnccn1 2033814618 XZDRMPGQGQFBJE-QGZVFWFLSA-N 446.315 4.623 30 10 IJEE CCc1cccc2c(C(=O)COC(=O)c3ccccc3NC=CC(=O)C(F)(F)F)c[nH]c12 2040421226 QZNZMMGDIXDIGE-UHFFFAOYSA-N 444.409 4.827 30 10 IJEE CCOc1ccc([C@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1 2080108101 YGSKIPPYCBRJIF-LBPRGKRZSA-N 441.313 4.601 30 10 IJEE C[C@]1(C(F)(F)F)CSC(=NCc2scc(Br)c2Br)N1 2105106663 YSNGUTQRLRVUKE-SECBINFHSA-N 438.132 4.787 30 10 IJEE C#CCN(C[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC)C(=O)OC(C)(C)C 2110508526 CJQVGMZBCTYNTA-CQSZACIVSA-N 447.776 4.633 30 10 IJEE CC(C)(C)C[C@@H](CC(=O)Nc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C 2181043737 CRLJULQKOXEQSG-CQSZACIVSA-N 438.366 4.979 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cc(Br)c(C)s2)CC1 2226122680 DSEOIVOHBCKCGJ-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 2232256713 QZCWJBCWVJOPFW-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1CC1CC1 2233326153 WOOVOGMHUZPJMY-MAUKXSAKSA-N 441.414 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@@H](N)C#Cc1ccccc1Br 2235733880 PCAAUQZHEATMRJ-RBUKOAKNSA-N 433.390 4.698 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CCC1(C)CN(C(=O)OC(C)(C)C)C1 2235750167 RWCAIOZOCYROPP-SFHVURJKSA-N 435.406 4.816 30 10 IJEE Cc1cc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)ccc1NC(=O)OC(C)(C)C 2254804014 FMWBYIKFBAARQS-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC 2261818660 FYJCTGQFJVPJOU-OFVILXPXSA-N 447.572 4.657 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H](N)C#Cc1cccc(Br)c1 2296216066 GYRVORFHOPZLQT-WOJBJXKFSA-N 435.406 4.992 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC=CCN1C(=O)OC(C)(C)C 2296219756 RGFBMBYKEILVTO-PMACEKPBSA-N 433.390 4.734 30 10 IJEE COc1ccc([C@@H](O)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1 2296282504 XPAAZIRZZBMSAT-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CC1CCC(NC(=O)OC(C)(C)C)CC1 2296311180 SXUYHEJXZKTUHV-UUKMXZOPSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 2296604246 RUIAUKSAMPMNPW-JOCHJYFZSA-N 448.906 4.674 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(NC1CC1)[C@@H]1CC1(C)C)Cc1ccccc1 2318399751 TWWZRXSBRDTFET-IAPPQJPRSA-N 430.640 4.681 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)c1OCc1ccccc1 2318415997 ZRRRWGCIKJZYLI-UHFFFAOYSA-N 448.523 4.767 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)cc1 2321981820 WXLFEWJOKIHINU-UHFFFAOYSA-N 441.483 4.750 30 10 IJEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCN(C)C)C4)cc1 2322122722 DRUBVVNKIFNMGK-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(OC)cc2OC)cc(Cl)cc1OC 2322904434 PLNKTEQYLNQDFA-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2323472416 GRQMUPCKRHUFBX-IVNQDJSRSA-N 442.600 4.992 30 10 IJEE Cc1cc(O)c(CN2CCC(O)CC2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2323999716 UOWMSURKBVEFMI-UHFFFAOYSA-N 434.319 4.580 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2325722221 CTRDTUGRJUEYRN-UHFFFAOYSA-N 442.515 4.949 30 10 IJEE CCOc1cccc(C=Nn2c(Cc3ccc(Br)cc3)nnc2SC)c1 2325925893 YYDPXFPMVIAPQJ-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE CCCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(O)cc1O 2326406063 YDNUPEDKWDPBBF-UHFFFAOYSA-N 440.569 4.702 30 10 IJEE COc1cc(C=Nn2c(CCCOc3cccc(C)c3)nnc2SC)cc(Cl)c1O 2326960780 FTGYPPGWQKRKHY-UHFFFAOYSA-N 446.960 4.570 30 10 IJEE CCOc1cc(C=Nn2c(COc3ccc(C)cc3C)nnc2SCC)ccc1O 2328891195 UKEBQKHYRFZZLM-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE Cc1ccccc1C=Nn1c(SCCc2ccccc2)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329035044 DWEOXUAZCMNESG-QFIPXVFZSA-N 447.608 4.528 30 10 IJEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccn2C)c1 2329316997 RPYLVWNSKMSWRR-UHFFFAOYSA-N 431.565 4.816 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)C3CC3)c(OC)c2)cc1C 2330873451 ZWXYLOZIRKMHAY-UHFFFAOYSA-N 445.309 4.986 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)c1 2331211391 WSLQEJKOWIHOHO-UHFFFAOYSA-N 434.521 4.772 30 10 IJEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2331440956 GEADRWKFFYRTPX-UHFFFAOYSA-N 437.429 4.809 30 10 IJEE CCCOc1ccccc1C=Nn1c(CCC)nnc1SCC(=O)Nc1ccccc1 2331630273 NEIDQBOQJXXVQD-UHFFFAOYSA-N 437.569 4.632 30 10 IJEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N1C(=O)OC(C)(C)C 2339599940 JPAGFFFFOBLHRJ-QSRVBCGDSA-N 443.397 4.560 30 10 IJEE N[C@H](C#Cc1cccc(Br)c1)c1ccc(Cl)cc1I 2340054141 JOWVHDUDAPCASV-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)C#Cc1ccnn1C1CC1 2367762585 UCTQHSCXZWFVOQ-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1sc(=S)c2c(c1C#N)CC[C@@H](C)C2 2609892 UDNJBAXIKUCUEG-LLVKDONJSA-N 429.523 4.708 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N\c1ccccc1C(=O)O 16928578 MLMAJTMXYIYJSJ-YKQZMZHDSA-N 438.505 4.582 30 10 IJEE C=CCNC(=O)Cc1ccc(N(Cc2ccccc2OC)C(=O)c2ccc(C)cc2)cc1 37557232 DOPRVUPIYGWZLA-UHFFFAOYSA-N 428.532 4.695 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCC)cc1OC 38594312 VREYXRNWWYELQJ-QHCPKHFHSA-N 433.504 4.938 30 10 IJEE O=C1/C(=C/c2cccnc2)S/C(=N/N=C\c2cc(Cl)ccc2O)N1Cc1ccco1 47139114 AAALHUHLYKDBTJ-KEWOAMKKSA-N 438.896 4.540 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccs2)n1 59016484 BSYOFTSRYAFDKR-YBFXNURJSA-N 432.600 4.545 30 10 IJEE O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1)NCCOc1ccc(Cl)cc1)c1ccccc1 59502392 HTPGNQOXTVLFAT-UHFFFAOYSA-N 438.871 4.525 30 10 IJEE CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2CC)cc1 100242652 QDGXVWWFQXRGAU-YQMDHOPXSA-N 431.945 4.719 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccs1 169990115 DXJQZIZYUNLJTM-IBGZPJMESA-N 449.463 4.555 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccn1)c1ccc(F)cc1 169993182 VXJBZRURVYRKJZ-IBGZPJMESA-N 426.806 4.796 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2cccnc2)s1 170009187 IPSJCDQNYLXZQA-SFHVURJKSA-N 439.924 4.900 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOC)cc1 170034459 PUTHYKBUFMBVFG-JOCHJYFZSA-N 441.499 4.538 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)cc1 170080268 XTASZRZSWHYJIP-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1ccc2c(c1)OCO2 170092623 ZBWLNVDAXAVNEA-IBGZPJMESA-N 441.798 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 170135288 LNRWYGKMPOFSKS-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(C)c1 170139212 BCNLLSCOELNWOO-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1cccc(C)c1 170139342 CUHMYLOKDSPGEA-JOCHJYFZSA-N 437.536 4.526 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccs2)c1C 170158688 MSEMMHQKRZIXFG-JOCHJYFZSA-N 447.512 4.919 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccs3)oc12 170163639 NNCYUQOUMSZPLC-FQEVSTJZSA-N 446.484 4.676 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)cc1 170166281 PITHSZFTCMHLPN-NRFANRHFSA-N 443.565 4.930 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)c1 170170444 QLKSCQHRDOWCQI-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)cc1 170205957 PMITXSCBJZBTDP-QHCPKHFHSA-N 439.471 4.525 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1 170260654 JBHYPFYFLHXCFE-HSZRJFAPSA-N 447.487 4.799 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(CC)cc2)cc1 170265174 MKCLBHLZMXIKAR-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)c(C)c1 170296959 SPEOACNZXBWDTB-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(OC)c(O)c1 170322229 VFDSJFFSLOZZBB-JOCHJYFZSA-N 439.508 4.521 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccs2)cc1OC 170416124 XNGJWPZXOGSLRL-IBGZPJMESA-N 441.530 4.605 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(C(F)(F)F)c1 254317457 LVIZQIQQGJMMIR-HNNXBMFYSA-N 441.862 4.949 30 10 IJEE COc1ccc(N=C2S/C(=C\c3cc(Br)ccc3OC)C(=O)N2C)cc1 254441037 OMYQKPIYIWCNFZ-RZZJTRJGSA-N 433.327 4.700 30 10 IJEE C=CCC[C@@H](NC(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1)c1ccccc1 435757732 BXEYMJBOIYEWCA-XMMPIXPASA-N 435.568 4.697 30 10 IJEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1ccc2c(c1)CCCO2 439005906 JWTUWFCDGFXEJD-UHFFFAOYSA-N 449.454 4.613 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(c2nnc3ccccn23)CC1 460372808 YFHCHTNYCAADLZ-JOCHJYFZSA-N 441.583 4.823 30 10 IJEE C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 464539100 TWIGXVIGDJVZEF-AWEZNQCLSA-N 434.945 4.537 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)N[C@]3(C#N)CCc4ccccc4C3)c2C)cc1Cl 472258069 JUABVVFVEMSYPT-RUZDIDTESA-N 432.955 4.561 30 10 IJEE C=CCN(C(=O)[C@H]1CCN(C(C)=O)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 487216452 DKSMXPPGIDIJDP-QFIPXVFZSA-N 431.561 4.865 30 10 IJEE CC1(C#N)CCN(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 508350224 PNUVTWZQRHKRKI-OAQYLSRUSA-N 425.916 4.536 30 10 IJEE COc1cccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1OC 526609650 XIJCAELKOVSEEC-QHCPKHFHSA-N 426.472 4.941 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 526806571 KKNAMBZZJWFJHR-JJFYIABZSA-N 431.905 4.803 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2ccsc2)C1 567358047 YGMQCBSQKDWDNT-LJQANCHMSA-N 430.961 4.823 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)cc1OC 586172933 CLHFEFRLBBXKDO-SFHVURJKSA-N 436.533 4.528 30 10 IJEE C=C1CCC(C[C@H](NN)c2cc(Br)ccc2I)CC1 724582405 LPPSMNQBUMATJC-HNNXBMFYSA-N 435.147 4.695 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 735349276 OIACIJAPNQIGAF-UHFFFAOYSA-N 435.789 4.804 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccccc1C 735967952 BFATUFNACDIPTN-LJQANCHMSA-N 443.956 4.716 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1nnc(-c2cc3c(s2)CCCC3)o1 783111551 ODLHJTHZAUSFBW-OAQYLSRUSA-N 437.521 4.695 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1 807469028 FCOLEJNZRHBTHG-IBGZPJMESA-N 436.943 4.946 30 10 IJEE O=C1NC(=Nc2ccc(Br)cc2)S/C1=C/c1ccc(N2CCCCC2)o1 1083994777 UEIPAGKSTQUPKD-FOWTUZBSSA-N 432.343 4.924 30 10 IJEE Cc1cccc(N=C2NC(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)S2)c1 1084201911 UYIZKDRDTCEKLW-LFIBNONCSA-N 432.343 4.842 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1ccc(C)nc1)c1ccc2c(c1)OCO2 1124212546 PMZWBAQFURZYBG-JLHYYAGUSA-N 428.488 4.930 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)cc1 1126382193 GZVUMIKKQWDSSA-DEOSSOPVSA-N 439.515 4.927 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 1127301947 OSAFLBLFPNYERE-QGZVFWFLSA-N 436.249 4.637 30 10 IJEE C=CCN(C(=O)c1sc(C)cc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1128003770 YSOAUIDFVHGUOX-KRWDZBQOSA-N 436.371 4.622 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccncc1OCC(F)(F)F 1128375653 XBCNXFDLWIVBDK-UHFFFAOYSA-N 434.336 4.536 30 10 IJEE C#C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)c1ccc(F)cc1 1129603355 UBYVJFWBUQRCMI-BJTUFNSYSA-N 448.582 4.806 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccccc1 1134861919 KNXDCUQGSZZTRR-ADSBAMQRSA-N 432.586 4.653 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)CCOCC1 1136058460 NTAFDXLNUCSBCW-UHFFFAOYSA-N 448.972 4.761 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C)c3)n[nH]2)c1C 1136923740 DNJCOQSXIACPRW-UHFFFAOYSA-N 433.434 4.578 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1)C(=O)OC(C)(C)C 1141247035 ZXHUROWHWZNBQP-QFIPXVFZSA-N 426.582 4.947 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3ncnc(O)c3Br)cc2Cl)cc1 1142006732 FFSXSCZCXKFEKP-UHFFFAOYSA-N 445.660 4.514 30 10 IJEE C=CCn1c(SCCOc2ccccc2C(=O)OC(C)(C)C)nnc1-c1ccncc1 1164607770 VDDBBTGVEGGQSZ-UHFFFAOYSA-N 438.553 4.653 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)OC 1219269281 NSERBVJSXOTKTG-UHFFFAOYSA-N 446.503 4.939 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)C(C)C 1220597795 IWAMZROIAPCRIA-FPOVZHCZSA-N 426.630 4.884 30 10 IJEE N#CCC[C@@H](NC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1)c1ccccc1 1230627828 DFBSMHQFXYUSBA-XMMPIXPASA-N 427.504 4.888 30 10 IJEE C=CCCC[C@@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 1251750559 DVAVHNOTXQGNAR-JOCHJYFZSA-N 429.511 4.698 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1264219810 ZWXUQGSRQGFODB-IBGZPJMESA-N 427.314 4.873 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccc(Cl)cc1F 1275497861 JQKXTEMJMNUFCA-WOJBJXKFSA-N 449.751 4.869 30 10 IJEE N#Cc1cc(C(=O)Nc2ccc(SCCN3CCCCC3)cc2)cnc1C(F)(F)F 1276938058 CQATVPPXRSTGIO-UHFFFAOYSA-N 434.487 4.802 30 10 IJEE C#CCSCCn1c(N2CCS[C@@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1286512727 NLWYQNVHBMLERB-OAQYLSRUSA-N 440.682 4.692 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1286556278 BXHPOXOHFVXNOE-MSYCTHLASA-N 445.007 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1cccs1)N(C)C 1286580713 CRRKFRFWKTVNBN-FQEVSTJZSA-N 445.583 4.914 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(Cl)nc2)CC1 1286637834 NQCLOGFTJHVVOZ-INIZCTEOSA-N 427.911 4.810 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1286643348 GGUNMKZPKLGZJD-WOJBJXKFSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](CC(C)C)N(C)C)CC1 1286665831 PWJDRZPLPMDLAW-BHDDXSALSA-N 431.669 4.575 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCC2)C1 1286703567 DLWRKBNLIGBSBU-UHFFFAOYSA-N 437.371 4.889 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1ccsc1)N(C)C 1286719023 BTBWSJRUUQVNRO-GOSISDBHSA-N 431.993 4.594 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1C)C(C)C 1286752091 WUTOSQIPKQAFEB-QUCCMNQESA-N 429.012 4.681 30 10 IJEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(SC3CCCCC3)cc2C)cc1 1292350860 KZFBKUHJRLUFET-UHFFFAOYSA-N 442.606 4.584 30 10 IJEE C#C[C@H](NC(=O)CCC(=O)c1cc(Br)ccc1OC)c1ccc(Cl)cc1 1298925363 FJPQESJYWBIUGO-KRWDZBQOSA-N 434.717 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@H](c1cccs1)N1CCCC1 1300572211 RKHCQMYXNRHFAG-HSZRJFAPSA-N 443.620 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(O)CCC 1300907344 ZMDBIXHHKHEFGI-HXUWFJFHSA-N 439.373 4.800 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1300930766 KEAGDRLVCXAXHC-GOSISDBHSA-N 442.361 4.660 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccco1 1300972278 JPTMVPPXQVCEAQ-OAQYLSRUSA-N 449.555 4.674 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1301023848 JSRUPWLHBKIRGE-ZBFHGGJFSA-N 439.785 4.772 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301028893 DFMFXLZHINBJOV-UWJYYQICSA-N 432.996 4.984 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301225794 KRJQJAWARKWRFW-UHFFFAOYSA-N 436.629 4.543 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCCCC1 1301410411 FMCGOFBVKJFZPO-JOCHJYFZSA-N 441.620 4.612 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CC(C)C)C1 1301531213 FSXKTLLTHACHJK-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE CC(F)(F)c1ccc(Cn2c(Cc3ccncc3)nnc2N(CCC#N)CC2CC2)cc1 1303781856 BLUBZYVKMJAYKH-UHFFFAOYSA-N 436.510 4.554 30 10 IJEE Cc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)sc1C 1304049317 ALVQKNZBVJUNDZ-UHFFFAOYSA-N 446.502 4.717 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)[C@H](C)CC)nc2scc(-c3ccccc3)c2c1=O 1307261020 KEBRJFGFMREAGC-KDOFPFPSSA-N 428.579 4.991 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3)C(=O)C2)cc1Cl 1310138147 DTTBCQLFDNUWON-JOCHJYFZSA-N 444.922 4.876 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCc2ccc(OCCN3C[C@@H](C)[C@H](C)C3)cc2)CCCC1(C)C 1312406455 XGTKQXVVJFOIGM-RQTOMXEWSA-N 441.660 4.972 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nnc(-c4ccc(OCCC(C)C)c(OC)c4)o3)cc2C1=O 1327896059 ZFDUDVYRWUQNOJ-UHFFFAOYSA-N 447.491 4.619 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCc2nncn2CC1)c1ccc(C)c(C)c1 1352114888 YYTJZPNQMUEGSU-NRFANRHFSA-N 430.552 4.646 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1sc(SC2CCCC2)nc1C 1352566089 AAZBXPMKDMNYHO-UHFFFAOYSA-N 429.611 4.576 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 1355028279 YFWIXQJIWPVWPG-IFXJQAMLSA-N 441.355 4.928 30 10 IJEE CC(C)(C)[C@H](NC(=O)COc1cccc(Br)c1C#N)c1ccc(F)cc1F 1356279831 BUTBTYBEELXSBO-LJQANCHMSA-N 437.284 4.881 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1358377761 KLRUNAHPCDRCCS-UHFFFAOYSA-N 444.572 4.607 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCn1ccnc1C 1358874813 DFTKEQASVKKHHJ-OAHLLOKOSA-N 438.988 4.866 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1cccs1)N(C)C 1358899396 MKZBJFIHQIGQDR-AZUAARDMSA-N 439.654 4.701 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C1CCC1 1358929380 YTYHLOBQTCULDU-OAQYLSRUSA-N 441.620 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccc(Cl)s1 1359066754 NWHDGYZDIQEMBI-OAQYLSRUSA-N 441.944 4.803 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]1c1cnn(C)c1 1359080872 HDIHTLVWNCNDSM-QGZVFWFLSA-N 447.768 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)CC1CC1 1359102593 CZRBMQBPSIDOSJ-PGRDOPGGSA-N 430.980 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1CCCO[C@H](C)C1 1359109382 YRZGQYRFUAGZRD-HXUWFJFHSA-N 437.588 4.595 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1359160896 IUMKDZOTAXZRTD-AUSIDOKSSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(F)cc2Cl)CC1 1359172948 OLJAHQYGHUKUDB-UHFFFAOYSA-N 447.986 4.634 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359174311 ZSVAUBKRDSRGOU-UYAOXDASSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1359186657 OIBWQUOCZKAYKR-KRWDZBQOSA-N 439.633 4.684 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CCC)C1)c1ccccc1 1359195801 RWMQKKLXRVXKRR-RPWUZVMVSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1359212068 YWTYTJZSBJEFTF-NRFANRHFSA-N 428.577 4.568 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1359257922 AIRBQXZXXWZLBI-LADGPHEKSA-N 431.584 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](F)C1 1359261218 AIWJUIHULARNKV-CTNGQTDRSA-N 440.542 4.610 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cscc2C)C1 1359324432 LDNWELGIOWEJRG-NRFANRHFSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359337424 RLSLAMNCPGWVMN-GOSISDBHSA-N 442.633 4.501 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCC(C)(C)O 1360986292 ACGGTUHYUBZMLM-IAGOWNOFSA-N 433.984 4.588 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@]2(CCC)COC)nnc1-c1ccc(Cl)cc1 1436054823 IFILQWJVHRWDLZ-JOCHJYFZSA-N 449.020 4.684 30 10 IJEE COc1ncc(NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)cc1C#N 1439467232 BLBUGJQHGGHRLV-UHFFFAOYSA-N 442.244 4.908 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N3CCN[C@@H](c4ccccc4Cl)C3)cc2)cc1 1448277018 FPZXAPFZAFEPJK-XMMPIXPASA-N 431.923 4.985 30 10 IJEE Cc1ccc(CC2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)cc1C 1450722097 HIJUHVPWRXDJLN-UHFFFAOYSA-N 431.580 4.812 30 10 IJEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1Oc1ccccc1C#N 1454397605 CPICWRLDOMJQSF-YKSBVNFPSA-N 425.532 4.991 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)cc1Br 1459966288 HXYORUVWJKXNMZ-LSDHHAIUSA-N 425.204 4.962 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)CC2)cc1 1463087450 GYPTWZHRTBSRFL-UHFFFAOYSA-N 444.556 4.552 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(COc4ccccc4)cc3)n[nH]2)c1C 1464190454 AFFSHGMLWWAFBQ-UHFFFAOYSA-N 441.535 4.585 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 1465533149 BFNHBPYZLUPBIQ-GOSISDBHSA-N 447.457 4.583 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl 1466249464 BELNRJNHGXNRTL-MRXNPFEDSA-N 430.895 4.634 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F 1470787962 VLVGEEDUAZVJHW-BHIYHBOVSA-N 432.914 4.952 30 10 IJEE COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 1471742038 GBHQSCVKPDXVTO-GKVSMKOHSA-N 446.503 4.528 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)c(Cl)c2)c1 1472206089 NOGTYUFMOOLSGO-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC(C)C)cc2)nc2sc3c(c2c1=O)CCC3 1472928758 DJCXARNURMACJB-UHFFFAOYSA-N 440.590 4.990 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](Nc3ccccc3)C2)n(C2CCCCC2)c1C 1473238131 BDSXBJLCVQZSDE-JOCHJYFZSA-N 433.600 4.997 30 10 IJEE C=CCOc1ccc(CNC[C@@H](CO)Cc2ccc(C)c(Br)c2)cc1Cl 1474149060 FTKXYFJJCQVUIB-SFHVURJKSA-N 438.793 4.917 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOCC)CC1 1507518746 CHTHBZZELWJIPP-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CCC[C@@H]21 1507557023 GWHSKQFOQWHKIQ-BEFAXECRSA-N 429.362 4.508 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC(C)CC2)CC1 1507586118 WEVVILAVSWPJPK-UHFFFAOYSA-N 426.008 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCS1 1507676041 IEUOVJDAOHAVBE-HXUWFJFHSA-N 445.057 4.972 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H](c1cccnc1)C(C)C 1507703170 RAGIEQCXSZACPZ-BJKOFHAPSA-N 447.558 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1507804768 HTWTWCXXUPEQGY-OUMCCJGNSA-N 438.616 4.896 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(CN(C)CCCC)CC2)nnc1C(C)(C)C 1507811245 PCQHDOYSNIZQNH-FGZHOGPDSA-N 431.669 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC[C@@H]1CCOC1 1507815757 SPQQDMVTHBYJCM-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1507832608 HVEARBVCSFIALS-KAGYGMCKSA-N 445.007 4.689 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1507859605 AONXYAQOBCBTDG-ZDUSSCGKSA-N 436.944 4.670 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([S@@](C)=O)CCC2)CC1 1507879805 FHJVJUCZEFFFCZ-NOVUIFNWSA-N 449.020 4.529 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507903438 DBYWZAPLHGTAHT-RUZDIDTESA-N 435.660 4.834 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1507958045 ZGRVWIMMYVUZOM-UHFFFAOYSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1CCCCC1 1507998722 IXOUXUYICHUGQK-UHFFFAOYSA-N 426.568 4.908 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H](C)N1CCC(C)CC1 1508000700 YYKSZZURSPHOPH-NRFANRHFSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1Cc1oc(CCC)nc1C 1508003758 CUNGSYMEFCUKSG-UHFFFAOYSA-N 430.556 4.773 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)OC 1508011161 NHYWBPWDBSIPTO-MISYRCLQSA-N 432.634 4.876 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NC3(c4ccc(C(F)(F)F)cc4)CCCC3)cc2C1=O 1515483746 RIYWZPPVPSUFHN-UHFFFAOYSA-N 442.437 4.687 30 10 IJEE C=CCOc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 1518227894 XCILYULGFSIYEH-QFIPXVFZSA-N 435.524 4.807 30 10 IJEE C=CCOc1ccc(CN(C(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)C(C)(C)C)cc1 1523657687 XJXPLMYQVWUMOP-UHFFFAOYSA-N 433.552 4.870 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)c2cccc(C)c2)CC[C@H](C)C3)nn1 1524772650 XVOIJXXOZUBPCP-INIZCTEOSA-N 434.565 4.832 30 10 IJEE CCOC(=O)C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1C 1531267544 BOTTZCFHGPKUGQ-DEOSSOPVSA-N 442.515 4.870 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F 1532439647 NBULOURTHVUEBC-KRWDZBQOSA-N 441.881 4.655 30 10 IJEE COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1536568402 HUPJOZBTWJJMPB-QFIPXVFZSA-N 426.516 4.996 30 10 IJEE C#CCOc1ccc(COC(=O)COc2ccc3ccccc3c2Br)cc1 1536763087 TWVRHKVPTITZNY-UHFFFAOYSA-N 425.278 4.737 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1538985462 AFAKOFRFARXOCW-CEXWTWQISA-N 446.014 4.954 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1539138904 AVGQTQKDSVWLKB-QFIPXVFZSA-N 448.640 4.947 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccnc(SC)c1 1539194469 ZPIDBWOGFUBIPQ-UHFFFAOYSA-N 435.597 4.524 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccccc2C)C1 1539241984 LLQHEWNEJPNWGE-UAPYVXQJSA-N 448.368 4.536 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCOc1cccc(C(F)(F)F)n1 1539346895 MNZDOLBONAURLV-UHFFFAOYSA-N 449.864 4.551 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[C@@H]1CC 1539369621 NJKPQSPCYPDHRJ-PZJWPPBQSA-N 443.636 4.678 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC1(CC(C)C)CC1 1539391875 KJEATJBPQNTCHO-UHFFFAOYSA-N 431.559 4.869 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N(C)C1CCC(C)CC1 1539530950 PXYBWZGNBFRCCT-UHFFFAOYSA-N 444.670 4.960 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCSCC(C)C 1539570297 REBOJNGSGRTJAV-YOSAUDMPSA-N 432.678 4.968 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1ccco1 1539606672 MTDASWMONRSVEH-SFHVURJKSA-N 443.345 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@](C)(CC)C1 1539621367 RAHCARHVJOPKHM-RFWXGWTQSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(C)s1 1539621964 DFBYEOICEMCOTB-SIKLNZKXSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCCOc1ccccc1 1539629764 YHCWZKODQBASAZ-URXFXBBRSA-N 447.583 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1539646201 SDLLMUPKGBJOLB-AUSIDOKSSA-N 442.629 4.579 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@@H](C)C1 1539660036 QEMIXJAMBXXZOA-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1539735281 IGRYDJFEJWVAGU-RTBURBONSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OC(F)(F)F)CC1 1539882262 VGAFHSFZHYSCTC-UHFFFAOYSA-N 429.446 4.689 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539892198 UWYKQQQVFDVZFA-FGZHOGPDSA-N 435.660 4.948 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1539915733 CZCXAHWUQOBMQQ-WOJBJXKFSA-N 440.563 4.623 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)C(C)(C)C1 1539975258 PWMFLPBOFIHRLT-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1539976697 DAJAJYKIIWAHFJ-HNNXBMFYSA-N 431.531 4.565 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1540021824 YYMGMGJVDSFVJV-ROUUACIJSA-N 448.995 4.668 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(F)ccc2SC)C1 1540886894 LGCFGGVQOODKLT-GOSISDBHSA-N 428.533 4.537 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C1 1543764388 BPEDKHUDNIZVNJ-JBYIUTFZSA-N 434.613 4.806 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)co1 1544279239 DMOUGFNROGUJOT-UHFFFAOYSA-N 434.452 4.616 30 10 IJEE Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N(C)C3(C#N)CCCCC3)n2n1 1559339312 DIYVNTLDVWRLDZ-UHFFFAOYSA-N 433.581 4.790 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CN(C#N)c1ccccc1)c1ccc2c(c1)OCO2 1559379872 IUYHRYNYVKSQKD-UHFFFAOYSA-N 441.487 4.501 30 10 IJEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cc1 1562623345 FKBIEZVCQUAPBK-JTSKRJEESA-N 431.517 4.556 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Br)cc1 1584708458 PHGBJJOXGJTWCA-KRWDZBQOSA-N 448.242 4.758 30 10 IJEE Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1585739398 BGXGJPJVHZKWKV-ZDUSSCGKSA-N 436.712 4.887 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1586778582 YJVBDEFUJYGDLP-UHFFFAOYSA-N 443.547 4.573 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2C[C@H]2C(C)C)c1 1587533937 UFOPDLFQYCMLTB-PXNSSMCTSA-N 447.000 4.743 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCCS1 1587593452 KLECPJCFHQNBES-RXVVDRJESA-N 436.581 4.861 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1cccs1 1587804239 VWNNNRXAXZRFBP-FQEVSTJZSA-N 433.581 4.964 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCC1CCCC1 1588094232 VMRIUQMHYHAXRV-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSCC1 1589493126 GEHDCLLGSDEODP-QKLQHJQFSA-N 449.020 4.606 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](CC)C1 1589731222 DDBBKNAOXCCIMH-ZFWWWQNUSA-N 439.785 4.941 30 10 IJEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1593858201 DISGOCNHZCMWPR-UHFFFAOYSA-N 436.947 4.760 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)N[C@H](C)CC)CC1 1594035251 GDZZJIDSJBOCBE-QZTJIDSGSA-N 441.645 4.593 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ccsc2)CC1 1594035280 GOCASKVMIRAVLH-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1594536406 YAQNPLRZBMJHLY-JTHBVZDNSA-N 437.632 4.846 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN2CCCC[C@@H]2C1 1594591007 IDJDAQKYPNNURV-GOSISDBHSA-N 444.421 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1594913687 MNQNFTFPGARART-APWZRJJASA-N 445.995 4.866 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1Cc1nccs1 1595161578 DZAXQJPOGSVYCE-UHFFFAOYSA-N 425.558 4.767 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCSC1 1595850384 MBIYITKYPBUDKZ-LBPRGKRZSA-N 445.477 4.630 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(Cc1c(F)cccc1F)C1CC1 1595866602 QVXQZGRIMONUBD-UHFFFAOYSA-N 427.524 4.707 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)c1ccc(I)cc1 1597011437 ZLAIOEIPOMRRMJ-HNNXBMFYSA-N 435.305 4.618 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1ccc(OC)cc1 1615223929 ZVZYHEQBAVAQDJ-UHFFFAOYSA-N 428.536 4.601 30 10 IJEE CN(Cc1cscc1Br)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1625280709 FJDSAPFJZNJLBY-UHFFFAOYSA-N 431.311 4.826 30 10 IJEE C#CCOc1ccc(NC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)cc1 1627845061 DOHFNQNTFJOFKW-RUZDIDTESA-N 429.516 4.976 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)C1 1631298572 LXMJCHXYQMKXAH-UQBPGWFLSA-N 444.575 4.812 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(C)(C)C1(O)CCOCC1)c1ccc(C(F)(F)F)cc1 1633471671 SROOAMWBUCOUBT-GOSISDBHSA-N 428.495 4.580 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640555933 DIAYSCWPVPJUJH-HUUCEWRRSA-N 439.606 4.888 30 10 IJEE N#Cc1cc(Cl)cc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 1641172437 ADTCEWBYYQJQDH-UHFFFAOYSA-N 440.908 4.657 30 10 IJEE N#Cc1cc(Br)cnc1NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 1642136574 BVDGPVNSGDMURS-UHFFFAOYSA-N 440.263 4.895 30 10 IJEE CCO[C@@H]1C[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C12CCCCC2 1642983403 CIJYQDATDUMMLP-BJKOFHAPSA-N 448.611 4.681 30 10 IJEE C=CC1(CC(=O)NCC(=O)c2sc3ccccc3c2Cl)CN(C(=O)OC(C)(C)C)C1 1643455252 NHLPPHDDGBLFTD-UHFFFAOYSA-N 448.972 4.667 30 10 IJEE C=CCn1c(SCc2cnc(OC)c(Cl)c2)nc2sc3c(c2c1=O)CCCC3 1643476871 RMNIXGDMPDXQQL-UHFFFAOYSA-N 433.986 4.872 30 10 IJEE COc1ccc([C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 1652790801 CUPGKGZLVSYRML-RPBOFIJWSA-N 429.495 4.581 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)C3=Cc4ccccc4O[C@@H]3C(F)(F)F)s2)cc1 1654176419 GZWWLPJNPBZYAQ-IBGZPJMESA-N 441.434 4.951 30 10 IJEE C#CCOc1ccc(Br)cc1CNC1CCN(Cc2ccc(Cl)cc2)CC1 1655978205 IDLHMXUTWLDFBW-UHFFFAOYSA-N 447.804 4.869 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@@](C)(O)c2ccccc2)cc1OCC 1657616292 VNPBJKWLNVYWAD-KSFYIVLOSA-N 434.374 4.798 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1658160887 QQSQEBQQMUVZNJ-UHFFFAOYSA-N 426.344 4.860 30 10 IJEE CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C(=O)OC(C)(C)C 1666638561 HXUYJVIEZRLHEO-SFHVURJKSA-N 425.485 4.601 30 10 IJEE O=S(=O)(N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1669932281 GHQNAISJOUIBOL-HNNXBMFYSA-N 440.340 4.908 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2nnc(C(C)C)n2c1 1670821308 HTSWHVMOSAXSNC-UHFFFAOYSA-N 446.324 4.974 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](COC)c1cccc(OC)c1 1670845519 PYBSSNJXEZJJOH-GOSISDBHSA-N 435.318 4.532 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCCc2cc(OC)c(OC)cc21)c1ccc(Cl)cc1F 1674036056 JZEOLXAPACGXKR-WOJBJXKFSA-N 430.907 4.938 30 10 IJEE C#Cc1ccc(NC(=O)NCc2ccc(Cl)cc2I)c(Cl)c1 1680873304 ROKKMKYHYYYQDD-UHFFFAOYSA-N 445.087 4.901 30 10 IJEE C#CCN(C(=O)N[C@@H](CF)c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1683571397 WVDTUVOTFPPVRQ-RBUKOAKNSA-N 449.295 4.767 30 10 IJEE C=CC[C@@H]1N(C(=O)N2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)CCCC1(C)C 1683754706 FQLWSSPTUCHVAP-SFHVURJKSA-N 448.633 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](OC)[C@H](C)CC 1689831583 NGBOQTMJEPIZJE-YDIMBITNSA-N 433.600 4.872 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C2CCC1(C)CC2 1690161628 LITWQHHJFOIJJD-UHFFFAOYSA-N 437.432 4.657 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCSC[C@@H]1C 1690165631 FOZHBANZOCHOMO-IBGZPJMESA-N 444.670 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(CC)(CC)OC 1690192623 CBQJBLJYEHMCEY-WZONZLPQSA-N 428.552 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)c1ccsc1 1690260224 CZHZXDJFUUXJBS-DEOSSOPVSA-N 433.581 4.865 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1690319417 MANQHRUZQKGXNV-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2OCC[C@H]2C)CC1 1690380276 IVRSKZLVJYHZLF-XMSQKQJNSA-N 445.007 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1690433650 YQWNLDCSBWALOA-UHFFFAOYSA-N 441.595 4.747 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1690462635 LPDIWEJYVTVJFX-XZOQPEGZSA-N 429.653 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC2(CCCCC2)O1 1690599378 WLOGJUSBAVBRBH-FQEVSTJZSA-N 427.618 4.694 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1690663539 ZPGUAJLSUVESAQ-IEBWSBKVSA-N 441.645 4.593 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1690736485 GPBCNIFNZNHHFL-CTNGQTDRSA-N 443.661 4.857 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC(F)(F)C1 1690997307 IAFIJPBRJZPMDI-NWDGAFQWSA-N 444.349 4.800 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(C)(F)F 1692826291 CHFNBPCWTCVEOP-BFUOFWGJSA-N 427.858 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CSCCS1 1705505901 PKJKUPIWKGUIMU-YOEHRIQHSA-N 439.075 4.530 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705518348 KOFLOBHLKTYQOE-QFIPXVFZSA-N 447.558 4.563 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc2sccc2c1 1705606371 PUOILIMQSFRKSE-UHFFFAOYSA-N 440.370 4.758 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1705692870 WDLNHDSHZQBULP-BLLLJJGKSA-N 427.293 4.514 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705723503 YCQPUNONMISECV-QGZVFWFLSA-N 437.357 4.674 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705776356 DWCHGYGSSLKSQF-LLJLJFOGSA-N 430.568 4.757 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@](C)(O)c2cccs2)CC1 1705784107 HILXHMLFNKVABT-VWLOTQADSA-N 436.625 4.825 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCc2oncc2C1 1705802039 ZQDPRRZHNFSLBX-UHFFFAOYSA-N 446.324 4.754 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705807650 KBBNOMPPCAXYPO-VWNXMTODSA-N 436.648 4.711 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1705849778 VYXANYLQBRRWSS-AABGKKOBSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1oc(CC)nc1C 1705862656 QXNCBPKINPGAGV-UHFFFAOYSA-N 434.519 4.522 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1 1705877393 FPCBZDCAUOBNRA-NVQXNPDNSA-N 431.584 4.923 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCN(CC)C1 1705879225 RBXLPYOSIOZSAC-IBGZPJMESA-N 439.991 4.768 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C1 1710775445 AGKVJIPEMNUAKS-LJQANCHMSA-N 435.597 4.719 30 10 IJEE Fc1ccccc1CCn1c(C2CC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1712873343 BMMHBNMKWXTPMK-UHFFFAOYSA-N 436.375 4.858 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1722312619 GZDPQNSBGZGSRV-NRFANRHFSA-N 439.922 4.514 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1722328049 WKMCXGCJLRGTHV-GOSISDBHSA-N 437.975 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1Cc1cc(C(CC)CC)no1 1722468850 VLWNQSSIOQWICH-RUZDIDTESA-N 433.556 4.886 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CC(CC)(CC)SC 1722471318 WGGJBPPGUZYFBM-JOCHJYFZSA-N 426.586 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCC)CC1 1722492685 GWWBZULQHRRYJM-HJOGWXRNSA-N 449.599 4.583 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(C)(C)OC[C@@H]1C 1722531248 POEHFQXPLMWYDU-ROUUACIJSA-N 444.645 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722585839 KWPLLFRRXVPPMK-MHECFPHRSA-N 445.007 4.975 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)c2ncc(C)s2)c1 1724177402 DBNSSNKKFHAEDH-QZTJIDSGSA-N 438.601 4.638 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(C)(C)C2CC2)cc1OC 1730079454 BJYGVCUSTPVPKM-RUZDIDTESA-N 437.588 4.919 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN1C1CCCCC1 1740558153 SYUVALWWKHKCGN-ISKFKSNPSA-N 449.643 4.729 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCCC2)C1 1740567037 GBMUNRLCARAVEA-IBGZPJMESA-N 426.536 4.510 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740756676 QOEBSESTUKJOAI-FCHUYYIVSA-N 438.616 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1 1740758665 AHWYIRAZZFECOM-LGVFNWMJSA-N 438.616 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](COC)OC 1740768857 OTALMRURAFDBAG-OAHLLOKOSA-N 434.993 4.877 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCS1(=O)=O 1740769483 MVVJWYZXXMKEJH-NRFANRHFSA-N 444.645 4.612 30 10 IJEE C=C(C)COCCn1c(Nc2ccn(C)n2)nnc1[C@H](C)Oc1c(C)cc(Cl)cc1C 1740799545 OTBCSXVXYTTZKK-KRWDZBQOSA-N 444.967 4.758 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2cccs2)nnc1[C@]1(OCC)CCOC1 1740852524 OZBVHBUUPKOLFJ-MBSDFSHPSA-N 430.618 4.936 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)c1ccccc1 1740853459 DHWHFESKWICBSH-PKTZIBPZSA-N 444.583 4.505 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1740855103 LKQQUYFMZIEZOU-FCHUYYIVSA-N 435.572 4.773 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCN1CCC(C)CC1 1740920322 AQHNWFJWOKBVAE-UHFFFAOYSA-N 448.590 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)O 1740922830 UDKCZTQBOVXIAD-UHFFFAOYSA-N 447.402 4.733 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1740933643 AKAOTVHZRVCPJR-DXBBTUNJSA-N 430.637 4.826 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H](C)c1ncc(C)s1 1740935052 AEUHRXXGRCDUAX-RXVVDRJESA-N 437.613 4.586 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740944877 NPGWYXQPNALPHH-UHFFFAOYSA-N 427.911 4.675 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccsc1)N(CC)CC 1748774177 VNFBORQMSMNIGB-HXUWFJFHSA-N 428.005 4.813 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H](C)c1nccs1 1748794785 LDSRRKDCAPXTSB-QGZVFWFLSA-N 444.004 4.581 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC(CC)(CC)SC 1748837578 ISSPVZPFIBYJCD-UHFFFAOYSA-N 445.430 4.702 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cccs1 1748876359 CKANJAKAWOWDMB-UHFFFAOYSA-N 442.544 4.690 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 1749040433 WYGXHMIGVRZCTH-UHFFFAOYSA-N 438.572 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](F)COC 1749054690 XCMKPZBGOPDURL-LYHRCORUSA-N 448.970 4.665 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCCOC(C)C 1749056144 BIAYWVOHWMNBEN-OAQYLSRUSA-N 449.368 4.654 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 1749268491 BOJSDMRPHZLWSQ-HZPDHXFCSA-N 438.016 4.627 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@@H](COC)C1 1749357122 JVMMTXRHHHUDHN-LJQANCHMSA-N 442.604 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CCOCC2)C1 1749357616 WXVXUTGNOKSHDU-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@H](C)[C@H]1C 1749375586 DTQATQNPBLQYIE-QZTJIDSGSA-N 430.618 4.798 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1c(F)cccc1Cl 1749441559 GTBOXKVDPKIPJB-UHFFFAOYSA-N 438.938 4.912 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CSCCS1)C1CC1 1749508263 MRARGQBGROMHGU-KXBFYZLASA-N 434.606 4.561 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@](C)(O)c1cccs1 1749531150 CVQYJLOKUMWMER-DEOSSOPVSA-N 433.581 4.579 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@@H](C(C)C)C1 1749748835 AOVZFZMDJASZFN-HXUWFJFHSA-N 439.654 4.990 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1760141308 PUZCXGRNFQYCTQ-CYFREDJKSA-N 446.599 4.539 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)C1CCCCC1 1760226282 AOBYDQCXQRLUJD-BVZFJXPGSA-N 440.657 4.922 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C 1760327522 ICQWANZFTWWMAE-WCAYHLDQSA-N 448.677 4.508 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(C)C)C1 1760408365 ADJMIEMURVPGLC-QFIPXVFZSA-N 434.588 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](SC)C1 1760408583 PFGFWZYABZMGTJ-SFHVURJKSA-N 428.602 4.998 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)C#N 1760411877 FMYGJEZBVVXWJB-RBUKOAKNSA-N 444.624 4.591 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1760420339 NBBKBLYHEUSUGP-XMMPIXPASA-N 445.611 4.877 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1760425343 JQRWBUONVKPWLP-UHFFFAOYSA-N 427.980 4.518 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760441718 RVAMTLWNGSYUNQ-NQIIRXRSSA-N 435.399 4.864 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(CC(C)C)C1 1760498587 XBEQLKLGPKHCAP-OAQYLSRUSA-N 427.637 4.772 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC=CO1 1760500638 RCHSLROISVMZDG-HSZRJFAPSA-N 447.583 4.684 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1760559170 DGJVZDUZGBDKJX-VGOFRKELSA-N 429.565 4.606 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1760564685 FIWCSSYDBIEADI-SFHVURJKSA-N 449.665 4.548 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 1772792716 MLISLAHPECIYBX-UHFFFAOYSA-N 434.860 4.985 30 10 IJEE CC(C)CCC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1858724443 BGJIONJXJRZGRS-OAHLLOKOSA-N 440.569 4.532 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)OCCCC)c1 1858728741 WOQKQSKPMYVWNV-UHFFFAOYSA-N 425.529 4.894 30 10 IJEE Cc1ccc(C(=O)CCC(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)cc1 1858907600 UUSOLQNKIHNFCO-UHFFFAOYSA-N 441.487 4.757 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432669 KGOBVGQLVRVYLB-DNVCBOLYSA-N 432.303 4.751 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(O)c1 1862457537 RJPDKXHDNNQERA-HXGDPMPDSA-N 445.437 4.967 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480712 MREQSARCBCNZQW-FOIQADDNSA-N 429.875 4.545 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 1862524695 LHYQLHSAIVTQPG-KZULUSFZSA-N 432.289 4.965 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1O 1862677176 ANNDTQDYRBHHCU-JOCHJYFZSA-N 439.483 4.841 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(CC)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839393 LQKFEZLLNJVSGY-UHFFFAOYSA-N 437.499 4.916 30 10 IJEE Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)c(C)c1 1862946550 SRNKLTYOGSOZTH-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1cccs1 1865325871 GSNYQZUFAVGUOY-LJQANCHMSA-N 446.576 4.527 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN(CCCC)CCCC 1870459508 ZHVUCLQJPKQCKW-UHFFFAOYSA-N 442.600 4.903 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CN(CCC)CCC 1870745540 OSMUGQXMXNLFPD-UHFFFAOYSA-N 439.600 4.599 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1cccc(C)c1 1871166226 QXJOMDPCPFTGEK-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1 1871345835 RPCRYPNMDONBJU-FMCGGJTJSA-N 445.446 4.581 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N(CCO)CCCC)n1 1871515500 CNBZZIYEPTVQGP-UHFFFAOYSA-N 432.588 4.547 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871860939 UCDRXISQEKZXAA-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871895401 RZGGRQNHSSTPED-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE CCCCCCCCCCNC(=O)[C@](C)(CC)NS(=O)(=O)c1ccc(OCC)cc1 1872612374 CGXQLEMFHMXQNF-QHCPKHFHSA-N 440.650 4.789 30 10 IJEE CC[C@H](C)[C@@H](C(=O)[C@@H](C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872774384 PFNBLSQODNVGOG-CRFBAAHOSA-N 449.557 4.759 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3ccc(CC)cc3)[nH]c2c1 1872816329 DRKOAUQYXMJXOW-UHFFFAOYSA-N 434.565 4.670 30 10 IJEE N#Cc1ccccc1Nc1[nH]c(=NCc2ccccc2F)nc2c1cnn2-c1ccccc1 1873477609 SYEJRTBCUDANDL-UHFFFAOYSA-N 435.466 4.604 30 10 IJEE C=CCn1c(C(=O)N(C)C)cc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21 1873560650 HLOCZCHDXLJWGB-UHFFFAOYSA-N 425.536 4.526 30 10 IJEE Cc1ccsc1/C=N/n1c(COc2cc(Cl)ccc2Cl)nnc1SCCO 1874207422 JEZKFLCSYWVGSD-AWQFTUOYSA-N 443.381 4.500 30 10 IJEE CCOc1cc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SC)ccc1O 1874229411 JIMBCRWGEKPZLJ-SSDVNMTOSA-N 432.933 4.527 30 10 IJEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874276677 YNSPFMIZLQRMGS-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874436786 AYMZRKHHPMPSCL-AFUMVMLFSA-N 440.544 4.952 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1 1874465901 HMLJJJYMBWGDBL-ZMOGYAJESA-N 436.468 4.638 30 10 IJEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874467111 RVPRRLZLAFARKR-FSJBWODESA-N 449.492 4.943 30 10 IJEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc(OC)cc1 1874502636 RUGTUOKTAHRRKG-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1 1874504597 UYDMFAUNHBWAET-FSJBWODESA-N 431.924 4.636 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc(Br)c1OCC(=O)OC 1874604774 FDVWVURLSQCMKB-DHZHZOJOSA-N 447.325 4.858 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)c1 1874605653 YSAGYJBHFODVHY-ZRDIBKRKSA-N 446.459 4.825 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)NC1CCCCC1 1874611747 SXJLMKIYUSGHPT-FYWRMAATSA-N 437.536 4.818 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1 1874618962 BWGUUDUVNOISIR-UKTHLTGXSA-N 431.488 4.926 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccc(F)c(C)c1 1874707551 KMLUUNYHNFHYMK-XBXARRHUSA-N 448.446 4.916 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)c(OC)c1OC 1874717172 CKATXAMDJNQAFW-NTUHNPAUSA-N 436.435 4.967 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 1874752665 HZSLAYZUFSCYRJ-UHFFFAOYSA-N 426.944 4.913 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(OC)cc2)CSc2nnc(CCOC)n21 1874902955 JWHXDWUYCLLOBK-FQEVSTJZSA-N 446.617 4.538 30 10 IJEE C[C@H](C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-])c1ccccc1 1875150784 FARKAPGZNJAVBK-JCVNQNCUSA-N 445.427 4.929 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1F 1875152702 HNGIRTZGEXUBPM-QPJJXVBHSA-N 427.409 4.919 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1F 1875152882 LGPRGMSGPLJANG-VQHVLOKHSA-N 448.512 4.796 30 10 IJEE Cc1cccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c1Br 1890979049 SBMKEVZIBACCPP-UHFFFAOYSA-N 426.232 4.589 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1ccc(C#N)cc1 1901484331 YBXDOURINHHXOF-VWLOTQADSA-N 439.515 4.838 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)C1CCOCC1 1922124032 DOOANYLLWNKXMJ-BJKOFHAPSA-N 446.632 4.695 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1937854658 MXQYYQUXKNSFQF-HIFRSBDPSA-N 446.183 4.518 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 1947957246 HTBPBBRZUIWLDJ-WAIKUNEKSA-N 431.533 4.728 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1949113681 ZWDKTKDCBHXRJZ-IEGUWTFLSA-N 431.508 4.859 30 10 IJEE CN(C(=O)OC(C)(C)C)C1C[C@@H]2CC[C@H](C1)N2c1cc(Br)c(C#N)cc1F 1965674049 ZMVDZCZPINDODE-YIONKMFJSA-N 438.341 4.827 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2002864644 LTXMQJZCAICQPI-FCHUYYIVSA-N 432.605 4.542 30 10 IJEE CCCOc1c(C=CC(=O)c2ccc(SCC(=O)O)c(OC)c2)cccc1OCC 2041179927 BCQWJGJUMVGUIM-UHFFFAOYSA-N 430.522 4.956 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NC 2047972705 FZGOZXZSGFAJFH-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE CC[C@@H](C)[C@H]1CSC(=Nc2ccc(I)c(Br)c2)N1 2081319183 LQWRYBJHJOQXCD-PRHODGIISA-N 439.160 4.792 30 10 IJEE CC(C)CN(c1ccc(C#N)c(Br)c1F)C1CN(C(=O)OC(C)(C)C)C1 2118147702 HWNJHODLVAMRMI-UHFFFAOYSA-N 426.330 4.542 30 10 IJEE C#CCCCCC(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2173473432 HCCRQKWLOZXNAA-UHFFFAOYSA-N 437.378 4.891 30 10 IJEE NCc1ccc(C#Cc2sc(Br)c(Br)c2Br)cc1 2222447349 FPTMWSQVQKQYIY-UHFFFAOYSA-N 449.993 4.894 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@H](N)C#Cc1ccccc1Br 2235716045 DMYBISCIEMXQPY-AZUAARDMSA-N 435.406 4.849 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CC1(C)C 2235720237 PBONZKZTHYVERN-AVRDEDQJSA-N 435.406 4.862 30 10 IJEE Cc1sc(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c(Br)c1C 2237679741 GMEPSNSWLYIHBP-ORAYPTAESA-N 440.212 4.826 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1nc(C)c(Br)s1 2261838000 XNLNALQPQAWCAZ-INIZCTEOSA-N 426.332 4.519 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2267001960 SCJWNJWRLTVTNU-LNRXMEIDSA-N 439.405 4.845 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)c(F)c(Br)c(F)c1F 2267837751 LGMAJUMGTWHKQD-ANRSDYALSA-N 441.263 4.735 30 10 IJEE O[C@@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)c(I)c1 2278770588 FWCHRRGCBUPOSB-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE C#CC[C@](C)(CNC(=O)OC(C)(C)C)COc1ccnc2ccc(Br)cc12 2285318437 VNKRSMOIRKBDHP-OAQYLSRUSA-N 433.346 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](N)C#Cc3cccc(Br)c3)CCCC[C@@H]12 2296216172 IATMISFFCORTGF-KNKQGSTJSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)C#Cc2cccc(Br)c2)C12CCCC2 2296225626 XDMOQJQKJHXUFX-GOSISDBHSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]2(O)C#Cc1ccc(Br)cc1 2296286109 HZNBZPKONBOSAZ-QFIPXVFZSA-N 428.326 4.982 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2ccc(Br)cc2)C2(CCCC2)C1 2296286923 QCPZSGXTIFYPID-OALUTQOASA-N 434.374 4.589 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2296302156 FGZCUNZDRLJEMT-JXFKEZNVSA-N 435.406 4.672 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 2296766389 HMFYRQMFERGMMH-QFIPXVFZSA-N 449.890 4.984 30 10 IJEE CN(C)c1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 2297745947 GHVFAQGUFOJNHZ-OAQYLSRUSA-N 436.895 4.621 30 10 IJEE CC[C@H](C)[C@@H]1C(=O)C(=C(O)[C@H]2[C@@H]([C@@]3(C)O[C@@H]3C)C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@H]32)C(=O)N1C 2297748859 NPWKEUKXVOMELT-PKDXDHIDSA-N 429.601 4.532 30 10 IJEE C[C@H](CCS)CCOCc1cc(I)ccc1Br 2302773036 VBWUEBXXEMPNEG-JTQLQIEISA-N 429.161 4.916 30 10 IJEE CCc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCN(CC)CC)cc1 2314478055 PMPSTECTPFCEPZ-SANMLTNESA-N 446.591 4.959 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 2314524270 IIYWFJCUVHOFSP-RUZDIDTESA-N 432.564 4.740 30 10 IJEE COc1ccc(C=C2SC(=NN=Cc3ccccc3F)N(Cc3ccco3)C2=O)cc1 2314840802 CEPXXIMYXPOWPA-UHFFFAOYSA-N 435.480 4.934 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317345376 VAWSCJCTJGSRGP-GOSISDBHSA-N 430.354 4.505 30 10 IJEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccn1)C3 2321968609 OCENXMDYZAICBE-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3C1=O)cn2C 2324305290 WYJDPPSDRMXDHA-HNNXBMFYSA-N 435.476 4.522 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)Nc1ccc(F)c(F)c1 2325514085 AMEWDVFCQMEZKX-UHFFFAOYSA-N 425.362 4.738 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Br)cc2F)cc1OCC 2325645587 QJTMJUSCIDTOFG-UHFFFAOYSA-N 436.277 4.607 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2325708672 VNHJENZNOBFMLG-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccc(F)cc1 2325744683 BNASFFNDUAWNHR-UHFFFAOYSA-N 434.419 4.721 30 10 IJEE CCCOc1cc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)ccc1OC 2326243387 MFQIJKVTGDPVIY-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2326752286 VBYZNTUXEOVROJ-UHFFFAOYSA-N 434.443 4.566 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cc(Cl)ccc1O 2327082576 FRNXZILRTFYHEL-UHFFFAOYSA-N 430.961 4.951 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc(OC)c1O 2327383603 UQHIAHJFNDLZOQ-UHFFFAOYSA-N 438.553 4.684 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccncc2)cc1 2328570574 WBORBLZBCZEROH-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(O)c(OC)c1 2328742696 OCEQEWBXBAYZAC-UHFFFAOYSA-N 438.553 4.554 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc2c(c1)OCCO2 2328904666 QGSUHHVWZOYRQJ-UHFFFAOYSA-N 438.553 4.629 30 10 IJEE CCCOc1ccccc1C=Nn1c(Cc2ccc(Cl)cc2)nnc1SCCCO 2329127471 PXKVPHFWUSBUBK-UHFFFAOYSA-N 444.988 4.668 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1F 2329144552 MNJAFLPIQKQPPX-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 2330649001 AHLSYKCKVICQNE-UHFFFAOYSA-N 432.480 4.957 30 10 IJEE CCOc1cccc(C=Nn2c(CCOC)nnc2SCc2ccc(Cl)cc2)c1 2331305141 UOASOPHABHNZCC-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccccc1OC 8823778 HGZVQQSETKQOJR-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)NC[C@@H]2CCCO2)cc1 22691448 YVLIHEORFPESQF-NRFANRHFSA-O 442.649 4.540 30 10 IJEE N#Cc1ccccc1CN1CCCN(c2ccc(NC(=O)c3c(F)cccc3F)cc2)C1=O 34734368 QTLGGHGUHCJVEY-UHFFFAOYSA-N 446.457 4.921 30 10 IJEE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N/Nc1ccc(-c2cccc(C(=O)O)c2)c(O)c1 40433877 VQISBSGDYUCBJK-SLEBQGDGSA-N 442.475 4.565 30 10 IJEE Cc1onc(-c2ccccc2Cl)c1C(=O)NCC#CCOc1cccc2cccnc12 90743004 DFQGJEPTXLHYMX-UHFFFAOYSA-N 431.879 4.664 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)Nc2ccccc2)cc1 105065217 ZMRFZLPILDJSEV-XYGWBWBKSA-N 427.533 4.868 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)c1 170014938 WIIWGDDSFPQLKC-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCC2)c1 170039431 GKBIMNAPELPJRR-HSZRJFAPSA-N 449.503 4.725 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 170068807 TXWNWTDNTFMSLL-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)c1 170081514 AOUHPSAOSRHMSU-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1OC 170091772 CSRNEODMIZVIEC-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100663 KAHYMZLVKSXSAT-QFIPXVFZSA-N 443.411 4.846 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170102630 ZSWHNHXKNHICAM-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170114956 MKWLWBRIYFXRFK-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(C)c2)cc1 170141956 OAGYMGBWNDXOKE-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3cccs3)ccc2O1 170154460 QFDHAXFFWQFNKK-XCLFUZPHSA-N 437.542 4.912 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)cc1 170157830 ZGRLERFUURFTMN-FPTDNZKUSA-N 447.512 4.863 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccs2)c1 170160254 BUDXKYXWGPSZTR-OAQYLSRUSA-N 435.501 4.944 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccn2)c1 170167587 UEHIXYQIACHEIW-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)cc1C 170174501 GIZVMNQFXOUNGF-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3cccnc3)oc12 170185014 MYLKVPZNVHAFRZ-NRFANRHFSA-N 444.418 4.758 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170193024 VXYDQRZFBOGGRW-FQEVSTJZSA-N 434.835 4.853 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)c1 170230773 QOWOMIXMIGGVNJ-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 170241155 SLUXWDCLMQVWEP-QFIPXVFZSA-N 435.451 4.986 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2C)cc1 170278118 UKUQIDZVHLUNEW-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)ccc1Cl 170292265 PWVOEFXUXYHWOQ-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)o1 170307637 OYFKSDWFKUTIQI-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC(C)=O)cc1 170320490 FGHAOVLMFXRZHV-HSZRJFAPSA-N 429.472 4.753 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccn3)sc2c1 170479070 ZZNWFCCZEKSGTP-FQEVSTJZSA-N 437.521 4.605 30 10 IJEE N#Cc1cc(Br)cnc1Nc1ccc(I)cc1Cl 310899593 MJTMRCZVCFVUQQ-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(Br)cc1 460375380 OZOQEPAVXFREME-FQEVSTJZSA-N 438.373 4.944 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 460777205 FUDGGXFOGUGZQH-NRFANRHFSA-N 432.524 4.641 30 10 IJEE N#CCSc1cccc(C(=O)N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1 498320670 FPRYUMWJXWYAND-UHFFFAOYSA-N 434.392 4.610 30 10 IJEE CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@H]21 504242434 ZBPYCSQAPDWGIA-GIRPNKPCSA-N 428.532 4.743 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 522576405 LGMSDVBWLCFINO-UGKGYDQZSA-N 448.498 4.557 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 526772405 IFHLESSFPWOFQX-JOCHJYFZSA-N 447.874 4.894 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(O)c(O)c1 526820979 SWKCBXNIBAAJBP-NHDPSOOVSA-N 447.358 4.579 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccc(CC)cc1 526830147 BEZKICIXGVPLGT-UCQKPKSFSA-N 426.542 4.737 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] 537090223 PXPOLANOKKKOGZ-CYBMUJFWSA-N 436.281 4.955 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](COCc2ccccc2)C1 549256905 PPSOPKKOJXUGCX-OAQYLSRUSA-N 448.567 4.582 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(F)(c2ccc(Cl)cc2)CC1 549291225 HRCPPGQQVJMMRL-UHFFFAOYSA-N 425.939 4.959 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(OCc2ccccc2)CC1 578224775 YOGUDBNCSJXTLH-UHFFFAOYSA-N 433.512 4.615 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)Cc1ccccc1OC 581278976 FYEGTXROGBWSAO-UCFCWBNQSA-N 432.568 4.785 30 10 IJEE COc1cc(OC)cc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)c1 586224990 SXXHBSUXVNYEAH-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1 586508315 LJRIADBIOBIMEB-UHFFFAOYSA-N 449.572 4.651 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)o1 615385765 RWNNFNOIBQNIGI-KKSFZXQISA-N 444.491 4.585 30 10 IJEE COc1cccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cccc(O)c2)c1 726570833 LWTDNIHQNKVPDO-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE N#C[C@@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nc(-c2ccncc2)cs1 734081157 FLNVZXGYGPZSAR-KRWDZBQOSA-N 445.573 4.908 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1(c2cccc(Cl)c2)CCC1 744536070 DBSSDLSTRRUXBU-QGZVFWFLSA-N 440.927 4.649 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN(C)c2ccc(Br)cc2F)c1=S 754749515 CTMOBHXSWSNGAK-UHFFFAOYSA-N 434.338 4.658 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ncc(Br)s1 756889780 PNKUJQUJCUOYCM-UHFFFAOYSA-N 443.252 4.613 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)c1 761676919 STKIQRUULJMLTQ-UHFFFAOYSA-N 442.540 4.933 30 10 IJEE C/C(=C\C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F 778113000 JTHIIAGVLKDUQI-OBGWFSINSA-N 427.470 4.783 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccc(C)c(F)c1 799222531 AWPCUTLELVSZBT-GOSISDBHSA-N 449.935 4.776 30 10 IJEE C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCF)c1 812222515 MZDMXWKPSLOHCV-FQEVSTJZSA-N 441.503 4.517 30 10 IJEE C=CCn1c(Sc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 931415275 XXVRXSSJBZUCHT-LUAWRHEFSA-N 436.493 4.685 30 10 IJEE Cc1c(C=NNc2ccc([N+](=O)[O-])cn2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 1084155397 DIHAMXKKYOPHBD-UHFFFAOYSA-N 430.424 4.655 30 10 IJEE CC(=NNc1nc(SCC(=O)N[C@H](C)c2ccccc2)n[nH]1)c1ccc2ccccc2c1 1084352289 VEGQTBWPPQQSIT-MRXNPFEDSA-N 444.564 4.764 30 10 IJEE Cc1c(N=Cc2cc([N+](=O)[O-])ccc2N2CC[C@@H](C)C[C@H]2C)c(=O)n(-c2ccccc2)n1C 1084641147 BEVZORAWSZHCSW-QZTJIDSGSA-N 447.539 4.768 30 10 IJEE C=C(O)[C@]1(C(=O)OCC)SC(Nc2ccccc2)=C(P(=O)(OCC)OCC)C1=N 1101209094 SQJQZOYLGFMSRT-IBGZPJMESA-N 440.458 4.674 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1124881276 XNILJVPLDHFDFK-UHFFFAOYSA-N 435.545 4.900 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)c(OC)c1 1125669089 XVRRLFQUNMPTEE-UHFFFAOYSA-N 437.458 4.925 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2cc(Br)ccc2c1 1125940820 CPHUCDNVSXQKOR-UHFFFAOYSA-N 436.353 4.678 30 10 IJEE COc1ccc(OC(F)F)c(CNC(=O)c2cccc(COc3ccccc3C#N)c2)c1 1127125411 BNJRVHMCXRQPTH-UHFFFAOYSA-N 438.430 4.677 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl 1129589062 UWJPZDHADZFMBH-UHFFFAOYSA-N 425.666 4.757 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1129781815 DKGJZRAWSLXDLR-OAQYLSRUSA-N 439.478 4.503 30 10 IJEE C=C[C@H](CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1134621436 USJFJMNOCRZSJU-BNOWGMLFSA-N 427.335 4.976 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1cccc(Br)c1 1146469252 YNQKWLQZRLXSQF-SFHVURJKSA-N 439.394 4.748 30 10 IJEE C=CCOc1ccc(C(=O)NCC2(c3ccccc3Br)CCC2)cc1OC 1160468050 GCJRJNFHBIMURR-UHFFFAOYSA-N 430.342 4.874 30 10 IJEE C=CCn1c(SCC(=O)c2nccn2C(C)C)nc2sc3c(c2c1=O)CCCCC3 1164444422 WTHHTNIZIJBBGO-UHFFFAOYSA-N 442.610 4.665 30 10 IJEE C=CCN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1193412898 IWPUPOLPHDMZJD-FQEVSTJZSA-N 435.351 4.594 30 10 IJEE N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1Cl 1197131937 HTOBHRIYLXZMHI-UHFFFAOYSA-N 447.764 4.760 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)cc1OC 1200830092 IMLTYLBBYCUADL-IFXJQAMLSA-N 430.932 4.874 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1C#N 1205448292 GYIBSQACXBZIGL-UHFFFAOYSA-N 426.948 4.739 30 10 IJEE Cc1nc(NC(=O)NCc2cccc(OCC#N)c2)sc1Cc1c(F)cccc1F 1217968243 GZXVPGCBSAPSDK-UHFFFAOYSA-N 428.464 4.545 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](COC)c1cccc(Br)c1)c1ccc(Cl)cc1F 1230509675 AUEACLVSKQCBMF-MSOLQXFVSA-N 439.712 4.603 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 1264281056 QXPVJKIZBFPJGR-QGZVFWFLSA-N 426.362 4.845 30 10 IJEE Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2cc(C#N)ccc2F)cc1 1265469443 GKCKTLQHVDFNRB-UHFFFAOYSA-N 428.442 4.928 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C 1278477406 JSSZRGOFASEIAO-UHFFFAOYSA-N 438.471 4.554 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)C1CCOCC1 1280094596 BRUSRZWUKRGDPP-HXUWFJFHSA-N 448.346 4.739 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCc2cccnc21 1286450146 DDTFLDJYLANHEV-ICSRJNTNSA-N 433.531 4.532 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1286529838 ALDIHQHJIDAMPA-OKILXGFUSA-N 446.393 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 1286550294 HTKOATLFBCMSBI-KNQAVFIVSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC)CC1 1286561394 DCSGGHXJCGCXBL-YUMYIRISSA-N 430.637 4.804 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)C1CCN(CCC)CC1 1286562824 TYJJKGWFNAEYGM-XUZZJYLKSA-N 437.632 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(C)C1CC1 1286582159 SFNXAOYVORTXAX-UHFFFAOYSA-N 437.636 4.681 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1286591222 GUSKEVJKWPNHCS-OAQYLSRUSA-N 430.618 4.896 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCC1 1286717204 YICOAKMLWINWCZ-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC(F)(F)F)cc1 1286718995 AQYCAXSHINLHFY-UHFFFAOYSA-N 437.853 4.757 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCc1ccc(Cl)s1 1286758552 QAXFEZSEERFRFN-LJQANCHMSA-N 442.972 4.927 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1286770420 FLOWUUHFOQWROI-AZUAARDMSA-N 435.538 4.717 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccc(OC)c(OC)c1 1286770765 VRXDKNGTIFHQBY-INIZCTEOSA-N 438.597 4.971 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOCC2(CC2)C1 1286824244 VYZGSTYGVYSAOS-HXUWFJFHSA-N 442.629 4.571 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1NC(C)=O 1292129999 SNOAYOOICZRBSH-MRXNPFEDSA-N 443.466 4.852 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1 1295794427 FYUUUEXAZLYJKG-UHFFFAOYSA-N 448.571 4.795 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1Cc1cccs1 1300412329 VOUOWGFIIMFYEY-KRWDZBQOSA-N 426.536 4.834 30 10 IJEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)CCC 1300849706 SGFFGHRLJNGEKJ-RDTXWAMCSA-N 435.366 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC1(c2ccc(F)cc2)CCOCC1 1300918686 FLJRDVGBDJVFBD-UHFFFAOYSA-N 449.574 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](OC)C2CC2)CC1 1301119392 HBQOKTIZSRHTNK-LJQANCHMSA-N 431.378 4.535 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1301313731 GHZMNRIHARGJNZ-VQTJNVASSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1301363313 QSIQUJYFDYEWBW-TUNNFDKTSA-N 444.645 4.877 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1301390120 DJFCUAMDKRHYAC-ICSRJNTNSA-N 434.544 4.552 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CC)CC(C)C 1301482426 WFMBJIOMVNGGDT-UHFFFAOYSA-N 431.993 4.598 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC)[C@H](C)C1 1301601770 JATQYEBPKOYSSW-OAHLLOKOSA-N 440.444 4.702 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(F)cn2)c1C 1304016762 APSXERTYZBIKNB-LJQANCHMSA-N 448.546 4.747 30 10 IJEE C=CCn1c(SCc2nnc(O)s2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1307252595 RAGLTCBOYZEOLD-UHFFFAOYSA-N 446.554 4.608 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 1309170398 NZLZTQUVCVEQOW-NSHDSACASA-N 447.771 4.602 30 10 IJEE CCOc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC(C#N)CC2)ccc1OC(F)F 1314162653 BVUQCKWWBQIVBO-UHFFFAOYSA-N 447.530 4.655 30 10 IJEE CCOCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(C)(C)c1cccs1 1314315474 GUCRQLDCVUPJEW-UHFFFAOYSA-N 435.597 4.895 30 10 IJEE CN(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1c(F)cccc1F 1314649992 FWJIRQYIUJCPPM-RDPSFJRHSA-N 442.558 4.647 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(Br)cc3F)cn2)c1 1350142131 GSRXRTVMHPUWHL-UHFFFAOYSA-N 426.245 4.828 30 10 IJEE C=CCN(C(=O)c1cnn2c(C(F)F)cc(C)nc12)c1nc(-c2ccccc2)cs1 1350510140 JVAKKUFXDBSKDW-UHFFFAOYSA-N 425.464 4.932 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@]1(c2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)C1 1358385022 PFXNTUWTYACEKO-WVPZODRTSA-N 438.543 4.965 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1358883673 ZRYOMAUMEVFIEP-QGZVFWFLSA-N 443.567 4.626 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CCCO)CC1 1358906360 FUIGONKZDNDOOM-UHFFFAOYSA-N 445.405 4.500 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@](C)(CC)O1 1358939644 ARSIEZDGZWPLKO-NVQXNPDNSA-N 431.584 4.770 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC=C(C)CC1 1359080387 PQYHDTHGRIPJCA-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359102425 BBFZXXDICFGTSL-URVUXULASA-N 448.533 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(CC)CC(C)C 1359102548 CKGIVNPUXSJGRK-URXFXBBRSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(F)F)C1 1359103612 QKMGNCZFDVHLRE-GIWBLDEGSA-N 444.570 4.916 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(N(C)c3ccccc3)CC2)nnc1C(C)(C)C 1359105028 IZDYUOPZTOPKBB-NZQKXSOJSA-N 437.632 4.662 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCCCCC2)C1 1359117916 CRMOLFWSVVYASR-UHFFFAOYSA-N 448.409 4.552 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(OC)C1 1359128016 HODTZOSUZVGFGG-XMMPIXPASA-N 444.645 4.874 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(C)C)C1 1359209813 ACKSWUYNYFNHKD-GOSISDBHSA-N 428.577 4.810 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](N2CCCCC2)C1 1359221073 QVWNMPJRDJHQDW-HXUWFJFHSA-N 441.645 4.610 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)C1CC1 1359267816 SYRBKRQGVKUDTG-AREMUKBSSA-N 431.584 4.692 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)C1CCCCC1 1359267986 ZDFPKFHFSNIVEQ-AREMUKBSSA-N 446.599 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1n[nH]c(C)n1 1359268286 KUXNPANKTVWRPO-UHFFFAOYSA-N 449.559 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CC1(OC)CCCC1 1359269127 PTPXWWAFSQBVSC-UHFFFAOYSA-N 431.378 4.845 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2sccc2C)C1 1359325531 HSVZDPBKRVJDBW-LJQANCHMSA-N 444.988 4.710 30 10 IJEE N#Cc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)cc1Cl 1434960471 APJRFUUVGXVJDM-QFIPXVFZSA-N 433.870 4.951 30 10 IJEE C#CCOc1ccccc1NC(=O)C[C@H](C)CCc1ccc(I)cc1 1447866027 KRWCKZKPTMIASZ-MRXNPFEDSA-N 447.316 4.901 30 10 IJEE C=CCC1(CNC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCC4)CCCC1 1449426649 KKYGHMZHILOSHX-UHFFFAOYSA-N 431.627 4.762 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C)C2CCCCC2)nc2sc3c(c2c1=O)CCCC3 1458815887 HJXJYJAEXUOYRO-HNNXBMFYSA-N 445.654 4.795 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)c(F)c1 1459184347 NWORHGXSQIZJFO-QFIPXVFZSA-N 448.535 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 1460045503 FNBXAXMMFQQTMU-DENIHFKCSA-N 447.023 4.559 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F)C(C)C 1465676227 AZXXRRLHMWIVFB-FQEVSTJZSA-N 434.556 4.993 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(=O)N1c2ccccc2C[C@H]1C 1466272899 CGRWNYUZBVLJDT-QZTJIDSGSA-N 440.503 4.838 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(CCN2CCSCC2)cc1 1474049734 NREZTLNQWDBEJL-UHFFFAOYSA-N 445.426 4.665 30 10 IJEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 1475199176 CRMNVJFNJOHFPB-CQSZACIVSA-N 440.340 4.688 30 10 IJEE C#CCOc1cccc(NC(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)c1 1476151021 SFXSCRORVFWWJC-VWLOTQADSA-N 431.580 4.853 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1 1477189022 UILMMXJUBGRFMH-INIZCTEOSA-N 443.345 4.760 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccc(F)c(F)c1 1478470246 CTYUSFVEXJXLQC-KNQAVFIVSA-N 442.510 4.968 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1503578504 ABEPTOATGSKXLQ-QFIPXVFZSA-N 448.640 4.678 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(C)OCCc2sccc21 1507528601 UTESCDTXBUUWCH-NYHFZMIOSA-N 426.973 4.606 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507558432 XAJQLHUHYYBQOB-XJUOHMSHSA-N 437.632 4.757 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2c(CC)noc2C)CC1 1507897877 UCHLIKYEFBSVOT-KRWDZBQOSA-N 439.535 4.867 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1507939921 UDFKERZHBFLEIZ-ROUUACIJSA-N 431.378 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCC1CCOCC1 1507973018 OYMHFTUMYRNLKM-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1508018902 BTGYNCXDUZTSDK-QPPBQGQZSA-N 448.640 4.587 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CCc1sc(C)nc1C 1508026504 VGJBPMJDQXWHFO-UHFFFAOYSA-N 446.624 4.835 30 10 IJEE C#CCSc1ccc(COC(=O)C2(c3cc(Br)ccc3OC)CC2)cc1 1516441126 BAHDUJBCYZAFHE-UHFFFAOYSA-N 431.351 4.958 30 10 IJEE C#CCN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCOc2ccc(Br)cc21 1521819616 SQHZLGFCNWYTRS-IBGZPJMESA-N 441.350 4.664 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C)c1ccc2c(c1)OCCO2 1522212788 UFVGBAJFQDDEIJ-NUDCOPPTSA-N 437.536 4.615 30 10 IJEE C=CCN(C(=O)CCN(C)C(=O)OCc1ccccc1)c1nc(-c2ccccc2)cs1 1524296299 PUWKUAUFKJKUQM-UHFFFAOYSA-N 435.549 4.988 30 10 IJEE CCn1nc(C)c(CC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1C 1526587502 HAWBZUCRGWHUMP-UHFFFAOYSA-N 425.348 4.990 30 10 IJEE Cc1nsc(N2CCN(C(=O)C3(c4ccc(Cl)cc4Cl)CCCC3)CC2)c1C#N 1527591312 CKDHJSAUKQFPNB-UHFFFAOYSA-N 449.407 4.791 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)cc1 1528483538 DPICXQSVANTTSQ-UHFFFAOYSA-N 448.828 4.973 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)cc1 1529312288 HHDBDKBLTYKFMD-LJQANCHMSA-N 448.441 4.922 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c1 1530326281 HHVKOOKCZRUULQ-RTWAWAEBSA-N 428.363 4.749 30 10 IJEE C#CCN(CC#CC)C(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 1531023741 CEAUPACHLCVXFN-UHFFFAOYSA-N 448.526 4.503 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(c2cccc(F)c2C)[C@@H]2CCO[C@H]2C)cc1OC 1534920071 KACAYNXXFDZJPU-LMUZAFAKSA-N 425.500 4.931 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](CC)Cc2ccccc2Br)c(OC)c1 1535031557 ZMYOUAGPZYNTBL-GOSISDBHSA-N 432.358 4.703 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCCc2ccc3c(c2)OCCCO3)cc1 1535140440 BJAXKTZYSPWHAR-UHFFFAOYSA-N 434.536 4.624 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)c1ccccc1 1536283971 YRGCMHGXLXXAMJ-FQEVSTJZSA-N 434.989 4.808 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccccc1 1537448529 WEDVHTIJIIEZIR-PMERELPUSA-N 437.418 4.884 30 10 IJEE C=CCCC[C@@H](C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1537636052 ZRKGNKKSKAUWAX-OLJONYEBSA-N 427.585 4.912 30 10 IJEE C=CCOc1ccc(OC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 1539135052 CTAXOHPCADQZSM-UHFFFAOYSA-N 437.517 4.604 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@](C)(CC)O1 1539250928 VHXQNIRHXSBJLJ-JTSKRJEESA-N 431.367 4.672 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[C@H]1CC 1539251740 OOMYMEXVNHTDQM-IRLDBZIGSA-N 434.584 4.640 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(c2ccccc2)CC1 1539350919 DYSWXJAGEFQOES-UHFFFAOYSA-N 441.398 4.960 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1539616776 RXHQNASCKCZHRV-XXBNENTESA-N 442.579 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](CC(C)C)C1 1539637964 VWGYZIPEZSGPNV-PTLVVNQVSA-N 426.580 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1C(F)(F)F 1539647707 XWRIAMPXPSKMKG-RXVVDRJESA-N 434.506 4.867 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCN2CCCCCC2=O)CC1 1539832771 YRVKLTAFKORRMG-QHCPKHFHSA-N 435.616 4.769 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)NC(C)(C)C)CC1 1539836296 PAEUBGHDMNJOJW-QGZVFWFLSA-N 441.645 4.593 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 1539936092 ZYZXDAJZYHSORZ-OYRHEFFESA-N 439.353 4.954 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1cccs1 1539999361 DYIREMPPLPDHHN-UHFFFAOYSA-N 448.596 4.729 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOC1CCCC1)C1CC1 1540098822 JDPSKOIVXMNHIY-UHFFFAOYSA-N 434.382 4.540 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)C1CCCCC1 1540119304 BTBZFLSSULPLLB-AREMUKBSSA-N 435.616 4.971 30 10 IJEE COc1cccc(-c2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n[nH]2)c1 1542771614 CZDPYNZUGPAMAI-UHFFFAOYSA-N 442.450 4.927 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1544383044 UBPJXQACOQZTHF-FKBYEOEOSA-N 430.589 4.862 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(Cc4ccc(C)c(C)c4)CC3)n[nH]2)c1C 1556883113 KBKGQKNYHQMNKR-UHFFFAOYSA-N 431.584 4.788 30 10 IJEE Cc1ccc(C[C@H](CO)NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1C 1556917250 HODQQZCVIWMFQY-JOCHJYFZSA-N 434.923 4.954 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 1557910121 LTWWSTPNPDQONH-GOTSBHOMSA-N 443.632 4.797 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 1558704611 XEUICTBUUSUUHT-LJQANCHMSA-N 430.957 4.512 30 10 IJEE CN1[C@H]2CC[C@H]1CN(C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)CC2 1562989515 DTWDQMPXJPYROU-KBPBESRZSA-N 427.364 4.676 30 10 IJEE C=C[C@H](C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)c1ccccc1 1566165014 PLUOWOBMNFSQIP-REWPJTCUSA-N 441.499 4.544 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(Cl)cc(C(=O)OC)c1O 1568792861 MZUXUGZYJKUZEN-UHFFFAOYSA-N 429.778 4.668 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)cn1CC 1570215211 YVAMTSJVQRPHHQ-UHFFFAOYSA-N 428.124 4.850 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]1c1ccc(Br)cc1 1585415967 KABVCDVHFHCNCR-HOTGVXAUSA-N 443.769 4.758 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1587842705 UPLZTWIMTLDTPM-UHFFFAOYSA-N 444.514 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[C@@H]1CC 1589164441 USCXGLZQUQKYIR-GCKMJXCFSA-N 430.394 4.854 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 1589547613 VGRFLUFLAOPLEW-OPAMFIHVSA-N 430.543 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@H]1CC=CCC1 1589568757 MFKWWRHGCZDCJH-FBLLAGFSSA-N 436.600 4.939 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]1C1CCC1 1593666564 HIKOMYVLXBMJIV-IBGZPJMESA-N 431.378 4.965 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)c(F)c2)CC1 1594024022 QHXWUKQSVLCRSG-UHFFFAOYSA-N 434.288 4.519 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCCN2CCC)CC1 1594102738 ZCJZEKKNNDLSFI-JOCHJYFZSA-N 428.024 4.943 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1594209208 UAACJAPHCSLKHQ-PGRDOPGGSA-N 439.560 4.851 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](COCC)C1 1594582399 PSCUYBWZAIHHEA-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCCCO1 1594793053 FRNZLZUDJCQIBC-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CC1(SC)CCN(C)CC1 1595185463 ZKCYKLVNABHWEM-UHFFFAOYSA-N 437.613 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1Cc1csc([C@H](C)OC)n1 1595195917 DQKGKRWGHKSJLC-KRWDZBQOSA-N 446.580 4.884 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cnc1Br)c1ccc(Cl)cc1F 1597001624 FISWBWQJBJNLFG-ZDUSSCGKSA-N 446.501 4.503 30 10 IJEE Cc1cccc(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)n1 1612219338 FOYWVUWAAVGZKX-PGRDOPGGSA-N 446.599 4.967 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1612619714 CILUEEIFWJDEIL-BZUAXINKSA-N 436.585 4.556 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2Cc2ccsc2)cc1 1616402906 HDSXQTPJVCCVQP-KRWDZBQOSA-N 437.569 4.667 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cc(Br)cs2)cc1 1619161209 HXUGHTWNWVJTOA-CYBMUJFWSA-N 446.374 4.564 30 10 IJEE C#CCC[C@H](O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1626046946 SXASMASLYGUCRP-VWLOTQADSA-N 435.527 4.710 30 10 IJEE COC(=O)[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)Cc1cccc(C)c1 1627467298 DIPJMIVDLYZTDT-HSZRJFAPSA-N 442.515 4.615 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)nnc1-c1ccco1 1627932512 PPXODINRGMPEPR-UHFFFAOYSA-N 449.492 4.906 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H](C)C2)c1 1630649898 KOIOEVURAKYYDH-ZWKOTPCHSA-N 447.000 4.839 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 1634794362 XXONABHGEHONAB-AWEZNQCLSA-N 449.267 4.713 30 10 IJEE CSc1ccc(CCCC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 1635679627 HQCGNZDLHNHEEN-QFIPXVFZSA-N 428.001 4.794 30 10 IJEE C#C[C@H](NC(=O)NC1(Cc2ccccc2Br)CC1)c1ccc(Cl)cc1F 1636570171 IPZAUMUJMXIRCP-SFHVURJKSA-N 435.724 4.990 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)C(=O)OCC 1636820778 AOJMYIGBURWNOX-NLFFAJNJSA-N 436.577 4.811 30 10 IJEE C=CC1(CC(=O)Nc2nc3c(s2)CCc2sccc2-3)CN(C(=O)OC(C)(C)C)C1 1638770614 PRYKOXSODHEUQR-UHFFFAOYSA-N 431.583 4.722 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(SCCN2CCCC2)cc1 1639719921 GNJHIMISSZHEPK-UHFFFAOYSA-N 448.592 4.877 30 10 IJEE C=CCn1c(SCc2occ(C(F)(F)F)c2C(=O)OCC)nnc1-c1ccco1 1640813624 FWPOKPHYIIDVEQ-UHFFFAOYSA-N 427.404 4.805 30 10 IJEE C[C@@H](CO)n1c(C(F)(F)F)nc2cc(NC(=O)C(F)(F)c3c(F)cccc3F)ccc21 1640980170 BMOJEFVHSLXTMF-VIFPVBQESA-N 449.326 4.617 30 10 IJEE C#Cc1ccc(NC(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)c(Cl)c1 1645997868 RHIIZRAANYIAGX-UHFFFAOYSA-N 442.943 4.796 30 10 IJEE C=CCn1c(SCN(C)C(=O)C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 1651733391 ZIOOVGNKKHXDIO-UHFFFAOYSA-N 427.595 4.783 30 10 IJEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1)C(C)C 1652386681 LLFUTKMOQPJCJL-UHFFFAOYSA-N 426.582 4.577 30 10 IJEE C=CCCn1cc(CNc2cc(Br)cc(C)c2NC(=O)OC(C)(C)C)nn1 1652452879 OUVANNIQDUEIDX-UHFFFAOYSA-N 436.354 4.884 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)ccc1C 1652465032 NSGNMXMSDUHXOO-LJQANCHMSA-N 435.593 4.908 30 10 IJEE N[C@@](C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)(c1cccc(F)c1)C(F)(F)F 1654480426 FESWAWVCAVPWAD-FZKQIMNGSA-N 434.355 4.577 30 10 IJEE CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CCCN(Cc2ccccc2)C1 1658092720 DECDSOVMFKCGEB-JOCHJYFZSA-N 445.592 4.734 30 10 IJEE C#CC1(O)CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(CCCCCC)cc3)cs2)CC1 1659570923 BIHYLQFNLNHTTB-IBGZPJMESA-N 439.625 4.720 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CCCCC1 1667576621 XGYXXEBPEQEBLA-YYADALCUSA-N 446.617 4.680 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)s1)c1ccc(C(F)(F)F)cc1 1668172583 PBDDNCISMRPOIL-AWEZNQCLSA-N 433.473 4.539 30 10 IJEE C[C@@H](NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1nc(C(F)(F)F)no1 1670754148 CZJIOVJQQPQTTJ-ANLVUFKYSA-N 434.699 4.545 30 10 IJEE CSc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)n2)N2CCc3sccc3C2)cc1 1673086433 BOULXUXDCBJZGP-HXUWFJFHSA-N 449.605 4.658 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 1673294751 MCRVWRVOMFLQKD-LJQANCHMSA-N 425.495 4.805 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc(Br)cc1 1674025713 KUWMTTCQWHFOPA-MOPGFXCFSA-N 433.733 4.560 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1)c1ccc(F)cc1 1678205702 ORTZLZDSOWDPRF-PKTZIBPZSA-N 432.495 4.800 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)c1ccccc1 1679252368 SESXEQBTOQTVTP-ICSRJNTNSA-N 426.948 4.803 30 10 IJEE C=CCCC(C)(C)CNC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 1684447017 WAGZZUKQUBMHAL-GHRIWEEISA-N 435.977 4.668 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(OC2CCCC2)CC1 1689938244 FODCILZEBZONMY-UHFFFAOYSA-N 436.600 4.815 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1689976220 BAGPUTBUCXUDFQ-JOCHJYFZSA-N 449.624 4.768 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCCC(C)C 1690036830 CLKDABXGOSVTDZ-HXUWFJFHSA-N 438.641 4.657 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCOC1 1690059719 WJDWNYWKQFMRIN-RBUKOAKNSA-N 430.980 4.574 30 10 IJEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)C(C)C)CC1 1690114667 CHIZQKSUNRXABE-LJQANCHMSA-N 439.673 4.569 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2C[C@H](c3cccc(F)c3)C2)CC1 1690395030 VSBFDHSKANWHKV-XYWHTSSQSA-N 439.579 4.857 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1690412908 BTCASNMJKUXGGP-JOCHJYFZSA-N 435.547 4.663 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690457008 PHTVZDKZXZNOBK-SFHVURJKSA-N 429.996 4.840 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)c1ccccc1 1690577080 BGFCYQRDAIHSCN-NQIIRXRSSA-N 435.597 4.677 30 10 IJEE C=CCn1c(N(Cc2cccs2)Cc2cccs2)nnc1[C@@]1(OC(C)C)CCOC1 1690653133 DEONIDMWIWTWOY-JOCHJYFZSA-N 444.626 4.835 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC1(OC)CCC(C)CC1 1705618005 PTBKRSHATTZGCD-UHFFFAOYSA-N 426.630 4.934 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705656818 KHORFBLARDQVLQ-QGZVFWFLSA-N 445.514 4.638 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCOCCC(C)C 1705671527 NHNWWONQHJYLSV-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C)(C#N)CC1 1705710735 ZLFVAQOLYWIMDT-XUZZJYLKSA-N 449.599 4.585 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](CCOC)C1 1705732462 ZWEZNADZTKGRBV-RTBURBONSA-N 444.645 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)CC)CC1 1705777804 OXIHDMJYCPDCOQ-NRFANRHFSA-N 433.394 4.579 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1705801752 QNWZZTOSTQTRRY-FQEVSTJZSA-N 445.558 4.967 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC1CC(F)C1 1705813149 WUCFRPSEKSOMAD-UHFFFAOYSA-N 437.357 4.867 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21 1705856315 ORSPNPYNQFVTQB-OAQYLSRUSA-N 448.615 4.859 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCC[C@@H]1CC)C1CC1 1705856450 STMKACNTWYKTEO-KSEOMHKRSA-N 429.653 4.616 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705948723 DCDNYYBHBIMBDD-BWAGFHJFSA-N 442.629 4.800 30 10 IJEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)Cc1cccs1 1706427240 HLHLNRSEGJXPAX-WMZHIEFXSA-N 449.624 4.866 30 10 IJEE CC(C)SCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CC#N 1706712443 AVELTPAKSHGRMS-CYBMUJFWSA-N 440.386 4.727 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCc2cc(OC)ccc21 1722281157 HNZINJSMLPIPJG-VQIMIIECSA-N 435.959 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC1CCN(CC)CC1 1722281921 ZUEKYJUUNUCGJW-IRLDBZIGSA-N 437.632 4.615 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722325649 BPVINUBHZDDAEU-HNNXBMFYSA-N 448.379 4.700 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)CC1 1722465342 JMUSFQSXPUAAPO-UHFFFAOYSA-N 426.630 4.757 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1722568549 QHVHJSNGYTVFDB-UHFFFAOYSA-N 443.473 4.784 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1722581958 IGUVKJUUONTGFR-GOSISDBHSA-N 437.357 4.690 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCN1CCCC[C@@H]1CC 1722659146 PAFLCJYZQQFYCU-QHCPKHFHSA-N 448.590 4.936 30 10 IJEE CCCN(CCn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)C(=O)OC(C)(C)C 1728111405 AYTRNUHIEFZUTL-UHFFFAOYSA-N 446.640 4.644 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1N(C)CCCC1(C)C 1740542300 SLSNWQAKTNXEHJ-HNAYVOBHSA-N 434.415 4.830 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740768365 IZXYXVPJCSBBKH-REPLKXPHSA-N 428.577 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCSC2)CC1 1740834715 ADQJUZSMPNVQLT-XMMPIXPASA-N 426.630 4.513 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740852314 LFLZFXXTABPCPB-RTWAWAEBSA-N 425.621 4.687 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1740891882 LQMAFPAPDMYJFT-AZUAARDMSA-N 427.593 4.698 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCCCN1CCCC1 1740894465 VIDNTPVAHNBDGT-UHFFFAOYSA-N 438.439 4.657 30 10 IJEE C=CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1CC1 1740907148 RAZSOVRGNRTCJA-SFHVURJKSA-N 429.609 4.520 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CCc1cc(C(F)(F)F)ccn1 1740914123 MAWRHIJVMADQFA-UHFFFAOYSA-N 445.489 4.698 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)nc1 1740914676 WUDLEKQBSIHRSY-UHFFFAOYSA-N 446.599 4.646 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1COC 1748651996 VMIGWQRHEADSPH-ZWKOTPCHSA-N 434.609 4.784 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCCO1 1748699809 SNZBCFLXQOCDGL-GHTZIAJQSA-N 430.980 4.880 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)C(C)(C)C1 1749029575 SVJHJWCCTVKYOC-INIZCTEOSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1Cc1ccsc1 1749059914 FUGZAQAOEKYMEH-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1749148197 ZKKKTXMDEUQPPX-DHLKQENFSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1749218009 GGMZXKZZAXUDQI-UXHICEINSA-N 432.996 4.831 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1749222185 BTJGGBMSUITZIY-KRWDZBQOSA-N 427.499 4.717 30 10 IJEE COCC(C)(C)CCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](F)(C#N)C1 1749264503 DFCZLESJLOBOTG-QHCPKHFHSA-N 425.508 4.586 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1749305733 PHWMPFHGQJCRRH-UHFFFAOYSA-N 439.604 4.637 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749359272 XYRPXGPBLSGRPJ-UGKGYDQZSA-N 434.588 4.594 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1sc(C)nc1C)C1CC1 1749508708 XXDHEKZBUKVHEE-OAHLLOKOSA-N 427.549 4.834 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1749538124 DOBVOIKSILMKRS-GMAHTHKFSA-N 446.599 4.769 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)C1CCCCC1 1760106610 FGRXWYJUGFVJIY-HXUWFJFHSA-N 430.600 4.606 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCSC(C)(C)C1 1760147054 FYQJXADKJLRHPW-UHFFFAOYSA-N 425.421 4.514 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1760246055 JFYUYHNLJCMJRL-NQIIRXRSSA-N 445.007 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 1760319652 OQSAJFQJXYDJII-KXBFYZLASA-N 436.453 4.764 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1760354302 VQCQQKYGHRFMNQ-NHCUHLMSSA-N 445.007 4.975 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C 1760443775 LZZZTWGRFDAZPM-SFHVURJKSA-N 444.008 4.660 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)C(F)(F)F 1760504084 VBIYYEUOFFORJM-UHFFFAOYSA-N 449.477 4.827 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCS1 1760763055 DOPZNYHTCLMHIY-NHCUHLMSSA-N 439.629 4.602 30 10 IJEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCCC2)C1 1765412923 BONHMPPCMKGGDV-QFIPXVFZSA-N 448.615 4.530 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCc1sc(C)nc1C 1771457585 AGTCKYWQFAWJMS-HNNXBMFYSA-N 440.642 4.711 30 10 IJEE COc1cccc(-c2nc3cc(C(=O)Nc4c(C#N)cnn4-c4ccccc4)ccc3o2)c1 1859743987 OIDPMIBZKPJIRA-UHFFFAOYSA-N 435.443 4.813 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)cc1 1860862510 HMKVAZBNFVWGIZ-QHCPKHFHSA-N 438.531 4.661 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860943310 AVWCBZPUDQRYMO-NRFANRHFSA-N 444.595 4.847 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860948814 NDSQTHHYRIDOPN-JOCHJYFZSA-N 445.007 4.915 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2F)=C(O)C(=O)N1CCOc1ccccc1 1862411490 JBRQGYAFZYRTEX-HSZRJFAPSA-N 449.453 4.931 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 1862442216 HAIPSBAUWCLYMK-OAQYLSRUSA-N 444.934 4.789 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446306 PCFRHHNOFRXTIM-RXVVDRJESA-N 436.895 4.579 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1OC 1862450407 GOKFGDINPPEAPL-OAQYLSRUSA-N 443.927 4.982 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 1862475415 KYBHFMHNCJBUPO-GGAORHGYSA-N 447.918 4.960 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)cc1 1862490202 PULASMKOLCLIMU-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2)cc1O 1862492086 IRMRKUWDFXQYKR-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(OC)c2)cc1 1862532790 ZFCYVFGWTQWUOL-QHCPKHFHSA-N 435.520 4.874 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862554747 JVPGNMBQSBUPAF-QHCPKHFHSA-N 430.479 4.537 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCO)cc1 1862584739 GMFSDUMHNSHOOJ-LJQANCHMSA-N 448.346 4.862 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)cc2)cc1F 1862636691 MGPKARQDXGDLOP-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(C)c2)cc1 1862687618 NFNUTWWANMCHGP-JOCHJYFZSA-N 433.529 4.886 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862702484 DGCQETLINBOTSV-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 1862714680 FKROBYPOMDXYLP-HSZRJFAPSA-N 433.479 4.984 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2cccs2)C1=O 1863804865 JUUVROQHNFNTIH-UHFFFAOYSA-N 440.565 4.707 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(C#N)cc1 1866653458 XLUBTPMBCAMKKE-JOCHJYFZSA-N 444.535 4.686 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1870112137 QFLOJEKZLXUXBN-CQSZACIVSA-N 444.322 4.528 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870560373 SIEWSYPTOOLGGQ-UHFFFAOYSA-N 440.587 4.672 30 10 IJEE C#CCOc1cn(CCCOCC)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871004828 AIBUOWIEBJBEOK-UHFFFAOYSA-N 430.548 4.874 30 10 IJEE CCOC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871345860 UNRZJBDZFXXSSB-OYKKKHCWSA-N 441.483 4.832 30 10 IJEE Cc1c(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871377536 PLGHYSOYOWFVDU-PHZRKWSBSA-N 428.400 4.533 30 10 IJEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCC[C@@H](CO)C1 1871398844 RXMCZMBLPIDYNW-OCBAHULYSA-N 434.319 4.520 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871891444 LFLBCCADBCLJQE-KBXCAEBGSA-N 426.991 4.632 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871988187 LAAKBYCBHYUVRX-KSFYIVLOSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)CC)S(C)(=O)=O 1872125314 MNUHRFOWIMQZMD-BLLLJJGKSA-N 440.915 4.550 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872412273 HWBKARWZIXDZEX-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE C=CCNC(=O)c1ccc2nc(-c3cccc(OC)c3OCc3ccc(F)cc3)[nH]c2c1 1872730561 PARDOWZIYLGNFT-UHFFFAOYSA-N 431.467 4.872 30 10 IJEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1872763418 LROITUPVLWDOMA-IBGZPJMESA-N 447.560 4.722 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)c([N+](=O)[O-])cc1OC 1872787207 DOCVQGSNDNJENL-SNVBAGLBSA-N 449.897 4.940 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccccc2)C1=O 1873160054 UPLIYEAUXOJGSY-UHFFFAOYSA-N 434.536 4.646 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2/N=C/c2cccc(F)c2)c(C(C)(C)C)c1 1874203987 ZXPGESLRRCMRCJ-AFUMVMLFSA-N 442.560 4.569 30 10 IJEE CCSc1nnc(COc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874383374 MZPVHYIBBFAWTL-SRZZPIQSSA-N 435.322 4.753 30 10 IJEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874400522 SFGPDBPXWVUZEZ-DTVDJLOLSA-N 440.569 4.840 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(OCC)cc1 1874503292 AGTWKDLFDOCRRC-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C1CC1 1874516768 JKYBLCKHMHJDFN-ZVHZXABRSA-N 435.553 4.556 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1O 1874542353 WCMKSJFAXHCPNN-FSJBWODESA-N 446.960 4.575 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1ccc(C(=O)OC)o1 1874609304 JVSXHDPTAYGBFU-LFYBBSHMSA-N 436.460 4.949 30 10 IJEE COc1cccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(F)cc3)ccc2OC)c1 1874710085 SGLBDPUWIZERNX-WUXMJOGZSA-N 436.435 4.723 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(=O)C(C)C 1875118322 XVAGGYVAAPIHQD-RUDMXATFSA-N 448.269 4.823 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(N(C)C)cc1 1875120348 POKRWEIUUHGBFI-OQLLNIDSSA-N 431.488 4.885 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OC(=O)COC 1875133912 MAFHOHCSCLQQSZ-VQHVLOKHSA-N 447.325 4.913 30 10 IJEE C[C@@H](C(=O)N1CCC(Oc2ncccc2C#N)CC1)c1ccc(-c2ccccc2)c(F)c1 1891375170 PLMOCVWLCZVCAS-GOSISDBHSA-N 429.495 4.933 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCC1(C)C 1964767574 NBKQDYNJUUORPN-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2000547918 KUJTVJGLRNUQPN-YJXLLHPSSA-N 434.541 4.509 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2020791914 ZCOOXZPHPLNDAX-DLBZAZTESA-N 437.487 4.965 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NC 2028847282 BTICLGQUABXNLS-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1)c1cccc(Br)c1 2072712723 OLYDHDTWOPJWLA-FQEVSTJZSA-N 449.304 4.623 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)COc1ncc(Br)cc1C(F)(F)F 2078104234 GAQHWUGFPNIUIB-UHFFFAOYSA-N 425.245 4.713 30 10 IJEE CC[C@H](c1ccc(C)cc1)n1nc(C(F)(F)F)c(/C=N/O)c1I 2079048724 FNLLBIRDKOVCSA-RVQTXVGNSA-N 437.203 4.622 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](Nc2ccc(C#N)c(Br)c2F)C1(C)C 2127899028 JOJAZJAOJKQDOR-JSGCOSHPSA-N 426.330 4.811 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1ccsc1S(C)(=O)=O 2150481200 LYRSFZLSQOQLOT-HNNXBMFYSA-N 426.947 4.811 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1Br 2180953628 ZUDJLXUQDOPYPK-CYBMUJFWSA-N 449.267 4.713 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1C#N)C1CCCCC1 2181110653 DLQMEMTWJYHWAY-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE Cc1c(Cl)cc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2189209397 LCGOUVLYRBZQPC-UHFFFAOYSA-N 440.574 4.815 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(CNC(=O)OC(C)(C)C)s1 2227461584 DEWPRHJNKHMRLS-KRWDZBQOSA-N 435.387 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](N)(C#Cc3ccccc3Br)C[C@H]21 2235729398 SZMGQPKMGIEBNT-JUXOCIIHSA-N 433.390 4.698 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 2261825606 GBOXWMMUNNVLGR-CLOONOSVSA-N 447.572 4.657 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@H](N)C#CC1CCCCC1 2289694030 RYLALOIIJDPNIP-UXHICEINSA-N 435.406 4.796 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2296218023 ZZKXWOUWUGPNKK-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(=O)C#Cc2cccc(Br)c2)(C(F)F)CC1 2296225155 RPULAJPXEXRDKN-UHFFFAOYSA-N 442.300 4.652 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(N)C#Cc2cccc(Br)c2)cc1 2296283178 DBUJSIVWRXEJQH-JOCHJYFZSA-N 429.358 4.699 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C12CC(NC(=O)OC(C)(C)C)(C1)C2 2296290897 IPHQJBSTGIWNJO-OSFYOIPJSA-N 433.390 4.616 30 10 IJEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=NCc1ccccc1 2297707801 MXILDCHLFIIJPW-UHFFFAOYSA-N 425.579 4.948 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1ccc(C(C)C)cc1 2314522660 SBESJSNJMXDSTF-XMMPIXPASA-N 436.552 4.723 30 10 IJEE Cc1ccc(C#N)c(Sc2cc(I)ccc2Br)n1 2316381794 ICXVAODEUBPRFA-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE CCCOC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccco2)C4=O)cc1 2321990946 JOMOBHMVXYTZNM-UHFFFAOYSA-N 445.471 4.815 30 10 IJEE COC(=O)c1ccc(COc2ccc(Cl)cc2C=CC(=O)c2ccc3c(c2)OCO3)o1 2322698919 GUCCKUPZVYBJAG-UHFFFAOYSA-N 440.835 4.923 30 10 IJEE COc1cc(C=NNc2nc(O)cc(-c3ccccc3)n2)ccc1OCc1ccccc1 2323259300 JPAVENYOQALPQO-UHFFFAOYSA-N 426.476 4.883 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 2323374916 ZBBYBVBKTAGXMQ-UHFFFAOYSA-N 447.871 4.875 30 10 IJEE CCCOc1c(Cl)cc(C=NNc2nc(CC)c(C(=O)OC)s2)cc1OCC 2323874423 RGKHGOVEAFZQJE-UHFFFAOYSA-N 425.938 4.779 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)cc1 2323937488 YMUMLYXJEVTZKM-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(N(CC)CC)cc1 2328471443 AEJIFNMSUHBIPX-UHFFFAOYSA-N 438.557 4.618 30 10 IJEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1CCCO1 2330999246 YCOGVIFJZKXEAP-QGZVFWFLSA-N 436.368 4.949 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(Br)c(OC(=O)C(C)C)c(OC)c1 2331072013 BVBOZOOVXUPESO-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C(C)(C)C 2331376206 NSDOHHONZBMCEQ-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)CC(C)C 2331895363 ULQIFWXHBAAASN-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE CC(C)n1cc(Br)cc1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368334708 CEHIOIMLWPSJEB-IBGZPJMESA-N 425.176 4.530 30 10 IJEE N#Cc1ccc(OCCSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1 10034496 LXWKGKXQSVQSIJ-UHFFFAOYSA-N 435.455 4.707 30 10 IJEE CC(C)c1nc(C#N)c(N/N=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)o1 33959314 XAQRDRDQLXXSHW-DHRITJCHSA-N 441.451 4.877 30 10 IJEE Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 41501720 DJTZPZPOGNOVFR-YVNNLAQVSA-N 431.400 4.827 30 10 IJEE CCNc1ccc(Br)cc(C(=O)/C=C\c2cccc(Br)c2)c1=O 97474799 ORCXBARLHJPSCZ-TWGQIWQCSA-N 437.131 4.900 30 10 IJEE CCN/C(=N\c1cccc(F)c1)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 105535712 XGOBVUSKMWXSRA-MRXNPFEDSA-N 440.327 4.795 30 10 IJEE C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 108093172 FJIOJIYEKHKADU-SFHVURJKSA-N 449.938 4.903 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2OC)cc1 165883849 ZJAXLKQKVCRIPR-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921340 AHSJDADAYDKTML-NRFANRHFSA-N 435.501 4.544 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(OC)cc2)cc1 169921387 PBNZVHWAHZBELH-NRFANRHFSA-N 435.501 4.544 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921507 YHUQLGQJKZYJLQ-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926076 MQMKENLSPVLWOB-XMMPIXPASA-N 438.483 4.967 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccccn1 169946644 KKWIXACSJVXZGX-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)c1 170051734 SEWJGCLMLKYPNO-DEOSSOPVSA-N 441.483 4.575 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)cc1 170102185 HYBOZUJCPALSJF-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(N(CC)CC)cc1 170138799 WNKQIWAOJKTKLH-QHCPKHFHSA-N 436.552 4.838 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)c1 170144170 IAZKCIUTIMNTPO-XMMPIXPASA-N 442.515 4.957 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC(C)C)c1 170148040 HLFHWKDNFIUUFX-QHCPKHFHSA-N 432.520 4.870 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC(C)C)c1 170152845 NVBDCBYMAUIQIC-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccn2)cc1C 170170661 CQSPDOHJOPRQAP-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3ccncc3)ccc2O1 170204229 NDFTUCQBHLWURK-RCDICMHDSA-N 446.890 4.841 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(OCC(C)C)c1 170219162 RRYKJTBPYAOKRX-IBGZPJMESA-N 428.554 4.783 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Cl)cc2)cc1C 170234994 NLXRDKVGCFXDFX-NRFANRHFSA-N 443.927 4.662 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccc(Cl)cc1 170236159 NEKTUVNMICSBNU-NRFANRHFSA-N 440.927 4.547 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)cc1C 170248941 NOXDSYWUIITCFY-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccco1 170289591 NNJVCIRLTKLUQS-HXUWFJFHSA-N 434.835 4.596 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)cc1C(C)C 170292900 VSDOTYJHSTTZFG-JOCHJYFZSA-N 432.476 4.585 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccn1)c1cccs1 170416652 JJXWGJLGEXTXQZ-GOSISDBHSA-N 444.434 4.940 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1cccc(OC(C)C)c1 170475094 PZSXKDCVMPWQQU-QFIPXVFZSA-N 437.536 4.993 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)cc2oc(Br)cc21 223721921 IGPRKZQFIWBZMZ-UHFFFAOYSA-N 428.286 4.665 30 10 IJEE C=C(CNCCC)COc1c(Br)cc(Br)cc1Br 231505424 LAZAXUITMKORMQ-UHFFFAOYSA-N 441.989 4.909 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1 502492537 HAILOEWQFHMPNH-UHFFFAOYSA-N 428.399 4.626 30 10 IJEE COC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 504808387 GMZMLOLHVDAHTM-GIBNYFNHSA-N 434.495 4.620 30 10 IJEE C=C(C)CN(CCCC(=O)Nc1c(C)cc(Br)cc1C)Cc1ccc(CO)o1 512210638 GYZCQWZZZNWZDE-UHFFFAOYSA-N 449.389 4.948 30 10 IJEE C=CCOc1ccc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1OC 513755373 RYYSNCUPZLIJKN-HSZRJFAPSA-N 426.944 4.861 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1Br 526802526 JXMFCCUGBYCTAH-FBHDLOMBSA-N 435.322 4.671 30 10 IJEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1c1cccc(F)c1 565742013 JHAWOKMSTMCYOJ-VFNWGFHPSA-N 430.487 4.507 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCC(=O)c2cccn21)c1ccc2c(c1)OCO2 578112387 FAVHRVWRYIASCU-OAQYLSRUSA-N 444.487 4.533 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)N(CCCN(C)C)Cc2ccc(C#N)cc2)cc1 586179504 DWSWNQVMIKHGIN-UHFFFAOYSA-N 441.641 4.824 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 604486049 RRYSHPRICHGTBN-GOSISDBHSA-N 436.537 4.636 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3)cc2)cc1 609500242 XLVWHZSCVFFFPU-QHCPKHFHSA-N 443.528 4.699 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 619741848 ZQAUNDIJKKOGIM-KRWDZBQOSA-N 430.468 4.565 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1ncc(Cl)cc1Br)C2 712706690 VTVBBQBUJXIPIH-STQMWFEESA-N 426.742 4.821 30 10 IJEE C=C1CCC(C[C@H](NC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 724611028 OVTWKJOTQKBGRV-JYFHCDHNSA-N 427.633 4.880 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cccc(NC(=O)c2cccs2)c1 735335054 QJARUSHFXGXVKG-UHFFFAOYSA-N 426.881 4.913 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 744840118 MPOKNTOOGFNDPD-YJYMSZOUSA-N 435.307 4.839 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccc(OC)c(F)c1)=C(/O)c1ccc(C#N)cc1 762441954 WSKBLJGOISZAOM-UHFFFAOYSA-O 434.516 4.879 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2c(C(=O)O)sc3ccsc23)cc1OC 767169991 MPVVRKCENQLVNU-ALCCZGGFSA-N 429.519 4.564 30 10 IJEE C#CCN(C(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1)[C@H]1CCS(=O)(=O)C1 774036823 FZXUSNKHABIGHB-FQEVSTJZSA-N 442.606 4.615 30 10 IJEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 798359532 MORFFHBGGHYJLE-UXHICEINSA-N 441.503 4.583 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1ccc(Cl)cc1Cl 1084574356 WPXFWHUPELSPGG-AWVGZZLGSA-N 447.351 4.953 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ncccc2C)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1128002970 DHNIEKOUIJMLTB-DEOSSOPVSA-N 444.531 4.985 30 10 IJEE CCOC(=O)c1ccc2c(c1)N(C(=O)c1ccc(Oc3ccc(C#N)cc3C)cc1)CCO2 1128103345 CPBVERNDYDSKFY-UHFFFAOYSA-N 442.471 4.875 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C(C)(C)C)cc1 1128252424 SLVUJSAULBYOKZ-UHFFFAOYSA-N 434.496 4.786 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 1129702826 MUKYTCVPCFQXRN-MRXNPFEDSA-N 443.341 4.568 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 1134390270 KUTOQELEFVKFLT-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@](C)(C#N)CC 1136560386 LSQQTQJJSAOYLF-BVAGGSTKSA-N 431.536 4.668 30 10 IJEE Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)O2 1139077299 CHUGTACTYZWADB-OAQYLSRUSA-N 434.414 4.810 30 10 IJEE CCn1c(O)nc2ccc(C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)cc21 1144717702 FDGOVJHYCLTAIP-UHFFFAOYSA-N 428.467 4.928 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](CC)Oc1cccc(Cl)c1 1149454848 USCRJTSVMNUIET-LJQANCHMSA-N 425.916 4.678 30 10 IJEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1-c1cccc(Cl)c1 1153857514 FFLRWXOFNSKUCI-NVXWUHKLSA-N 445.972 4.866 30 10 IJEE C=C(CSc1nc2sc(CC)c(C)c2c(=O)n1-c1cccc(OC)c1)C(=O)OCC 1164638967 UKPPCXFMXPCTOY-UHFFFAOYSA-N 444.578 4.538 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)ccc1Cl 1170592710 GNNUDEFNKPSIKK-HXUWFJFHSA-N 432.351 4.702 30 10 IJEE CC(C)(C)c1nnc2n1CCN(C(=O)Nc1ccc(Sc3ccccc3C#N)cc1)C2 1205358411 BZFUPLBQXNYJTJ-UHFFFAOYSA-N 432.553 4.646 30 10 IJEE CCOC(=O)c1c(NC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c(C#N)cn1CC 1206508298 DDJBDFUPTVWAAZ-CYBMUJFWSA-N 436.434 4.500 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 1211567052 ORBQKJCBIVPIKG-UHFFFAOYSA-N 449.370 4.639 30 10 IJEE CN1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](Cc2ccccc2)C1 1215241670 GKEJOFPCONOCPK-QHCPKHFHSA-N 426.520 4.741 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)N1CCC[C@H](CC#N)C1)CC(C)(C)O2 1229369509 ANOVBNIFEOSFSY-VQIMIIECSA-N 442.560 4.971 30 10 IJEE C=CCn1cc(CNC(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)nn1 1252077000 PBPZZJSNXGCGIQ-UHFFFAOYSA-N 434.371 4.567 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)ccc1I 1252907730 JBAATOAOPVFHRU-MLGOLLRUSA-N 432.733 4.879 30 10 IJEE C=CCCn1cc(C(=O)N(Cc2ccccc2)c2nc3ccc(OCC)cc3s2)nn1 1264041510 RYPBMLZYSJOZNU-UHFFFAOYSA-N 433.537 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286280709 BTZYBWKMMHOROB-FGTMMUONSA-N 446.014 4.952 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H](c1cccs1)N(C)C 1286578945 KWKMRHISVLBLKL-FQEVSTJZSA-N 427.593 4.775 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1286605886 ZNUYJBDMBSPALA-FCHUYYIVSA-N 442.579 4.851 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCC(OC)CC2)CC1 1286638212 WUYBDSJFVHRJGF-HDYDNRTBSA-N 428.552 4.919 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1286648431 SSLQXWPGKVAADN-QGZVFWFLSA-N 445.995 4.592 30 10 IJEE CC(C)(O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(C#N)C1 1287095018 AWFKGASVDUCTHS-QHCPKHFHSA-N 427.618 4.567 30 10 IJEE CC[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](CC(C)C)N(C)C 1291480572 DVMAIYOVLHSHAR-HYBUGGRVSA-N 434.632 4.933 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C)N1CCCC1 1292183043 CLWMKPLTAWDPOR-QFIPXVFZSA-N 432.572 4.699 30 10 IJEE CO[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1)C1CC1 1299654108 CZUHAZMHLZGQJQ-LJQANCHMSA-N 434.371 4.807 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCC(C)(C)C)CC1 1300386390 OGTGAECIDAQNAD-UHFFFAOYSA-N 444.627 4.773 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(SCC)c1 1300547846 RLOMGCDOIOGAHU-UHFFFAOYSA-N 447.633 4.507 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCN(C)C2CCCCC2)CC1 1301133963 CKWJFSHZHCUMKX-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1301160485 SPXIIJJANQZPEM-DEOSSOPVSA-N 442.629 4.801 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)C)CC1)c1ccccc1 1301165041 CUOHVINFKGKHND-HSZRJFAPSA-N 430.600 4.539 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCSC2(CCOCC2)C1 1301177261 WRMCOCWQIINRNZ-UHFFFAOYSA-N 426.630 4.966 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1301189657 CNGVTQNLPZDNFA-HSZRJFAPSA-N 436.648 4.569 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cn2ccc(C)cc2n1 1301310013 JNWRUWHYIVZDHD-UHFFFAOYSA-N 438.988 4.850 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CSCCS1 1301397592 XKJCQAPZIJJVDM-HXUWFJFHSA-N 430.643 4.501 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C 1301412606 FQKAKVQBMIVDCS-QHCPKHFHSA-N 439.648 4.959 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC(F)(F)C1 1301415086 ODZCCDVRRCDJQC-CQSZACIVSA-N 428.886 4.812 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1301474689 FVUBTUNCRHQQAI-SSGKUCQKSA-N 438.616 4.987 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2(COC)CCC2)C1 1301542457 OBGAYMMTEITNPO-FQEVSTJZSA-N 430.980 4.587 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)c1ccccn1 1301951551 BACPSMGEIXAMNH-ROUUACIJSA-N 436.535 4.526 30 10 IJEE C[C@H]1CCC[C@](Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)(N(C)C)C1 1304982372 AGMYRXZSARHEJY-CUNXSJBXSA-N 448.659 4.704 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(OCC)c2ccccc12 1309117891 RPHGCBOZLMPYER-UHFFFAOYSA-N 426.490 4.556 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1309993352 BBYROLWVAXXWHL-APWZRJJASA-N 440.009 4.771 30 10 IJEE C=CCC1(CNC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1312129476 FTLMGVMYCOXKDR-JOCHJYFZSA-N 444.572 4.754 30 10 IJEE CCOC1CC(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)C1 1314235969 GHKLHYXYJCGCPE-UHFFFAOYSA-N 435.597 4.762 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(OC)c(Br)c1 1352115422 ZQBHRFSKTBLOPO-UHFFFAOYSA-N 444.247 4.971 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc2c(C(C)C)nn(C)c2s1 1353818442 PILOTIVSSYCAFG-UHFFFAOYSA-N 428.510 4.501 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 1355768783 VBECMVXTRBJWAK-UHFFFAOYSA-N 429.495 4.969 30 10 IJEE C=CCN(C(=O)c1cc2ncccn2n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1355906986 OHXANZQKEGTSNL-UHFFFAOYSA-N 430.320 4.992 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CCCN1C(=O)OC(C)(C)C 1356575923 GXCCDMHNLJUNOZ-SANMLTNESA-N 448.567 4.618 30 10 IJEE CC(C)Cc1ccc([C@H](C)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 1358313152 BQWIOEKOEPCJQE-FQEVSTJZSA-N 426.564 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccncc1Cl 1359004923 OYGKKMQFBSBMCI-UHFFFAOYSA-N 437.975 4.926 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1nccs1 1359090559 CQKUDYTXLYJYPA-URVUXULASA-N 437.613 4.894 30 10 IJEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(CCC)Cc1ccc(F)cc1F 1359123944 YQWKZAIRSOYBLP-UHFFFAOYSA-N 445.539 4.541 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)CC[C@H]1C 1359137378 NNWPQFDQEBQBRR-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Sc2ccccc2)CC1 1359159907 IBSSPLSTZUAYJV-GBXCKJPGSA-N 442.629 4.656 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cccn(CC)c2=O)CC1 1359161374 AWEAXOFVTKYUNE-UHFFFAOYSA-N 444.366 4.638 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 1359194882 CRFMDSAZGFTNRF-VXKWHMMOSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cccc(F)c2[C@H]1C 1359197721 XYLSAIUBALMZDK-QGZVFWFLSA-N 434.519 4.545 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCSC[C@@H]1C 1359209917 DCSAPPRJPGPYEN-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br 1359226845 OCBKNFFMEIYVPR-IBGZPJMESA-N 449.393 4.511 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2SCCc3ccccc32)C1 1359321833 MFGGBTDZCOXFHB-FPOVZHCZSA-N 426.630 4.679 30 10 IJEE C#CCN(C(=O)c1cc(F)c2ncccc2c1)[C@H]1CCOc2ccc(Br)cc21 1360310720 KJPDZZJPRORFRB-IBGZPJMESA-N 439.284 4.736 30 10 IJEE Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)o1 1360766086 GATYTSDKEBEHJM-YLJYHZDGSA-N 425.916 4.610 30 10 IJEE CCCC[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 1434948986 HPWKKISSCKLNFK-NLFFAJNJSA-N 446.595 4.651 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 1435989186 GFGUZIPAUOHUER-NRFANRHFSA-N 432.486 4.911 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)cc1OC 1448065120 CZGFCBGSBRZWNY-KONDSOJQSA-N 431.536 4.562 30 10 IJEE C=CC1(CC(=O)N(CC)CCc2ccc(C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1451993559 UCDWGASRVFNQFV-UHFFFAOYSA-N 440.506 4.910 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21 1459978620 BESIDNHJQBPCCR-PWRODBHTSA-N 428.374 4.717 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cc(F)ccc3[C@H]2C)n(Cc2ccc(F)cc2)c1C 1460722593 DFFMGQGLQPUBBZ-GOSISDBHSA-N 448.517 4.861 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)[C@H]1CCc2ncsc2C1 1469799535 MSCMQJZZSJXSNY-PKOBYXMFSA-N 435.634 4.879 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1)c1ccc(Cl)cc1F 1470664871 AMHFXNREPPFATM-RXVVDRJESA-N 449.954 4.776 30 10 IJEE C=CCC1(NCc2cc(Br)c(OCC)c(Br)c2)CCOCC1 1474203585 SVYKGGHGNPAVAP-UHFFFAOYSA-N 433.184 4.825 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 1478750734 DMGPTDMZDCABMY-AWEZNQCLSA-N 443.429 4.616 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1507519205 YLQBMZKAHDBWPU-OZIGNCPNSA-N 445.007 4.981 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCC1CC(OC(C)(C)C)C1 1507763054 KRFCQYCXYBAKJH-UYSSGXRJSA-N 436.600 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CC=CCO1 1507770587 VHWZILFSMOWLJS-QFQXNSOFSA-N 434.584 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CC=CCC1 1507805658 KUGUBYVRLKJLDI-FBLLAGFSSA-N 447.583 4.502 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCOc1ccccc1Cl 1507916877 VYBPXDQJPDLTJP-GOSISDBHSA-N 432.996 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507920263 VIJMWMQCCVHJGV-UHFFFAOYSA-N 428.421 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)c1nccs1 1507974067 RRRSCAFMDPQVNM-MRXNPFEDSA-N 427.574 4.623 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C(C)C)C1CC1 1507993705 NVQWKOUVNMBDFK-YZGWKJHDSA-N 429.609 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCc1csc(C)n1 1508007104 RYVIHNNBAIDNNR-UHFFFAOYSA-N 436.610 4.910 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCC1 1508009480 ZOZQJWBSPLZVIR-UHFFFAOYSA-N 441.595 4.601 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCC2)n1C[C@H]1CCN(c2ccccc2F)C1 1509301951 FOJQYSIQDMPFQQ-FQEVSTJZSA-N 438.595 4.977 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCCC1 1510462109 FWVNKBUVEIXBCZ-UHFFFAOYSA-N 432.572 4.619 30 10 IJEE CCCC(O)(CCC)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1 1514351401 GJCFMKDWSOUMJQ-UHFFFAOYSA-N 448.615 4.812 30 10 IJEE CSc1ncc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n1-c1ccccc1 1520340258 HLAJMKKCMQWBCX-UHFFFAOYSA-N 434.912 4.557 30 10 IJEE CCOc1ccc([C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C(C)C)cc1OCC 1525042486 DULWEAJMGOLQFO-LJQANCHMSA-N 435.446 4.897 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cccc(F)c2I)C(F)(F)F)cc1 1525856297 MEPMMHOHWXFJPD-HNNXBMFYSA-N 448.153 4.872 30 10 IJEE Cc1cc(C)c(C#N)c(NC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)n1 1528283255 CIVJMCASNIHMNI-UHFFFAOYSA-N 429.311 4.833 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)cc(OC)c1OC 1529570919 OUBWTMRIVJLCNB-MRXNPFEDSA-N 443.927 4.947 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 1529681829 FFKUPORMLRVOPK-UHFFFAOYSA-N 443.890 4.999 30 10 IJEE CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 1532141968 CKUUZLLCGGWFGX-RUZDIDTESA-N 442.515 4.950 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 1532640963 PTTNREGZMVKRIA-SFHVURJKSA-N 435.347 4.616 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 1533762068 GBAMNQCWLMSJLC-IBGZPJMESA-N 445.382 4.871 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)cc1 1536588209 JYAKXZQBECGQBM-UHFFFAOYSA-N 427.479 4.781 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1539194754 GKRIWXDVJFMXEP-YLJYHZDGSA-N 445.007 4.810 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1539688892 UTGUGZOMZBUGAK-QZTJIDSGSA-N 426.561 4.564 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCOCC1 1539729761 KXGVKKXRKCNIAZ-IBGZPJMESA-N 448.995 4.508 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CC[C@H](CN(C)CCC)C1)c1ccccc1 1539767404 SXPSUJSZUBSRDB-JOCHJYFZSA-N 435.641 4.812 30 10 IJEE C=C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCN(C)CC(F)(F)F)CC1 1539835801 HZQOMZGDVXGOHC-UHFFFAOYSA-N 433.478 4.732 30 10 IJEE C=CC[C@@]1(C(=O)N(CC(=C)C)Cc2cnn(C(C)C)c2)CCCN1C(=O)OC(C)(C)C 1539858162 VEUKGPVWTLFGNV-DEOSSOPVSA-N 430.593 4.715 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 1539940248 PDKJDDYHZDFIFU-LJQANCHMSA-N 434.506 4.799 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1539946451 BLDPBNBVVQKVEZ-PLVHLFARSA-N 438.616 4.772 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCc1nccs1 1540054722 VHIFYVFVVAYNRK-UHFFFAOYSA-N 436.354 4.558 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1540114214 IXDOMOOCACRIHR-XMMPIXPASA-N 438.597 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC(C)C 1540146878 KWPWTBUZXMNITJ-HXUWFJFHSA-N 438.597 4.872 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1C[C@H]1CCCCN1CC 1540185050 KYFVVTTUTYGHEZ-JOCHJYFZSA-N 433.600 4.956 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1 1557474873 KHHHQYHCHUGLKC-JPYJTQIMSA-N 442.581 4.751 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1560554724 JVDGXBJQLVNGHJ-UHFFFAOYSA-N 440.971 4.935 30 10 IJEE Cc1ccc([C@H](CC(F)(F)F)NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 1561445170 BPPXAWHTHZIRNB-INIZCTEOSA-N 447.276 4.601 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 1562360248 BNYRCYGYBMKIQA-NRFANRHFSA-N 436.512 4.775 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cc(Br)c(OC)c(OC)c1)c1ccccc1 1563891362 XDNHTEUGBZACRI-GOSISDBHSA-N 433.346 4.973 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(Br)cc1Oc1ccccc1 1564016794 PIISUDIFYWPDFA-LPHOPBHVSA-N 431.330 4.632 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1)c1ccccc1 1564396811 QUTKBFZEYFHCJH-PMACEKPBSA-N 439.522 4.916 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1587807806 JBMMIKGHPPHCOG-REWPJTCUSA-N 449.643 4.759 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1ccc2c(n1)CCCC2 1588549922 BXYTXFCJZJXHMB-UHFFFAOYSA-N 445.586 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC(F)(F)F 1589567838 GIQSFFDGVSSCEN-LPHOPBHVSA-N 440.535 4.859 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1593900265 JLJQMKJPMJHFLQ-FQEVSTJZSA-N 434.053 4.631 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1ccon1 1593909005 VXGMDUHDAOUHRI-UHFFFAOYSA-N 436.343 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)C1 1594460814 CKITYSWLTVSJBZ-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@@H](CC)C1)c1ccccc1 1594553343 YYHGLJKSCAZHNQ-GOTSBHOMSA-N 433.625 4.956 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1594728228 YKAZZORHRMADCS-QUCCMNQESA-N 447.624 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ncccc1Cl 1594895901 QCONWQOTKPMJCC-HNNXBMFYSA-N 444.004 4.881 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC1(COC)CCC1 1595094021 KSHQXMWOSGMBMI-UHFFFAOYSA-N 442.567 4.530 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1595170416 CDGUBQIEDNDJNA-OFVILXPXSA-N 437.588 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)N(C)C 1595190955 KYBTXCIBAPGNKU-QGZVFWFLSA-N 425.577 4.941 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cscc2C(F)(F)F)C1 1595728987 IDLQLWDSMAVPKQ-HNNXBMFYSA-N 428.524 4.777 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H](C)c2ccc(OC)cc2)C1 1595730034 SHZYPESINBJBST-UGKGYDQZSA-N 426.605 4.850 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCSC2)C1 1611768835 DTIYKEJBXASWPD-XMSQKQJNSA-N 430.021 4.796 30 10 IJEE CCC(CC)(NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 1616172892 COPHGNXFPNGQLE-UHFFFAOYSA-N 425.381 4.944 30 10 IJEE CN(CCc1ccc(C#N)cc1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 1617259025 GZJMJCRQVDXLIB-FQEVSTJZSA-N 429.358 4.553 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CCCC1(C)C 1618339720 ZOPOFYODBQZFOH-NRFANRHFSA-N 430.545 4.833 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2cc(Br)c(F)cc2C1 1620633113 IANYQCVIENUNEU-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 1622609374 LKCVBUILTNNLEM-IBGZPJMESA-N 428.604 4.882 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccc(Cl)cc1F 1622988962 AVROYMOKOSGOJD-NRFANRHFSA-N 431.964 4.566 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1ccc(O)cc1)c1ccc2c(c1)OCCO2 1627421146 JFPUDEKVYQZEMX-ZROIWOOFSA-N 443.499 4.975 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 1628262902 CBYRNPJNVHVROE-IBGZPJMESA-N 431.964 4.689 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CCCc2ccccc21 1629247413 BSWLSRCRTRZULS-MHECFPHRSA-N 430.552 4.754 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)C(=O)OC 1632085375 VTMPARRRNLXFTD-HXUWFJFHSA-N 431.517 4.749 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(Br)cc1 1636563158 UFOSWSKDCKJEAN-HXUWFJFHSA-N 439.309 4.834 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)C1 1641029741 KJPIPNQKOIQQCF-LJQANCHMSA-N 425.573 4.984 30 10 IJEE C=CCC[C@H](C(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1)c1ccccc1 1641665945 NPGTUCVLGVXZNY-SFTDATJTSA-N 436.518 4.776 30 10 IJEE C#C[C@H](NCc1csc(=Nc2ccc(OC)cc2)n1[C@H](C)c1ccccc1)[C@H]1CCCO1 1642791581 OLOKSNLFQAMSNH-BTZRARBUSA-N 447.604 4.670 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nnc(-c2ccccc2C)n1CC)c1ccccc1 1648459579 ZYMAGFFOMZMIIV-PMERELPUSA-N 440.594 4.605 30 10 IJEE C=CCn1c(S[C@H]2CCCN(C(C)C)C2=O)nc2scc(-c3ccccc3)c2c1=O 1656067201 NIGKEQNCSAYBNF-SFHVURJKSA-N 439.606 4.803 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 1657771148 RCCOFNOSHANFAL-OAQYLSRUSA-N 444.362 4.797 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCOc3cc(OC)ccc32)cc1OC 1661576666 TVTGLFWLWHEJEO-GOSISDBHSA-N 434.330 4.645 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc1 1662729388 DQZTXWJZBMUJTN-ROUUACIJSA-N 428.945 4.528 30 10 IJEE C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(Oc2ccccc2)c(F)c1 1666544838 AGYKLRDLIACSMT-ZDUSSCGKSA-N 432.423 4.807 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)cc1 1667957155 VYEAGDYQBYIUCX-NRFANRHFSA-N 447.988 4.906 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 1668489713 HHKBSCUYBIOEPH-XLIONFOSSA-N 433.371 4.559 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1670779286 ADZBBVPYBQRTDP-RTBURBONSA-N 431.458 4.513 30 10 IJEE C=C1CCC(CNC(=O)Nc2cccc(Br)c2I)CC1 1672630583 LYMZOVSHOWAWNB-UHFFFAOYSA-N 449.130 4.922 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(Cl)c1 1673387601 ZDMCWCXWWNFXHM-UWVGGRQHSA-N 446.725 4.956 30 10 IJEE C=C(CNC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1679427758 BCDXEFMFBIVVGV-IFMALSPDSA-N 429.923 4.542 30 10 IJEE C#C[C@H](NC(=O)N(CC(=C)C)Cc1cnn(C(C)C)c1)c1ccc(Br)cc1 1682356721 MFBOHGYGZANFDN-FQEVSTJZSA-N 429.362 4.689 30 10 IJEE C=CCC1(O)CCN(C(=O)NCC2(c3ccccc3Br)CCCCC2)CC1 1682686072 WCEZFLNDEIZVLM-UHFFFAOYSA-N 435.406 4.764 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12 1683123889 UMWODDVHJHWKDB-SFHVURJKSA-N 425.552 4.814 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1689938575 PNOGLUQZIIQFIK-RBBKRZOGSA-N 426.630 4.998 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)Cc1cccs1 1690001262 IFYYSLHYLPTACG-OALUTQOASA-N 436.556 4.570 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690024029 PNFYRLAXPQEGBJ-OALUTQOASA-N 439.485 4.717 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1690028123 LFEILLHAPSMSMI-QZTJIDSGSA-N 443.016 4.500 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N1CCCC1 1690088784 WYIVOMMIYNIWNS-JOCHJYFZSA-N 449.574 4.785 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CC(=C)Br 1690195110 DWOYBBXLGCLELT-JOCHJYFZSA-N 436.357 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690237079 VDWWVPCZMQSGCY-TZYHBYERSA-N 440.636 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)C[C@@H]1CC=CCC1 1690250821 LVURXAZKFQACIO-RQTOMXEWSA-N 436.600 4.939 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SCC)C1 1690273074 DFEJOBGYOUNIAW-FQEVSTJZSA-N 427.618 4.835 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCCCN2CCCC2)CC1 1690382135 DDBSLSCNIZMJAD-UHFFFAOYSA-N 444.023 4.933 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCCCN2CC)CC1 1690384330 NISKYSDLOCNSHO-HXUWFJFHSA-N 441.645 4.610 30 10 IJEE C=CC[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1690447886 ZGPRRKVOGLTXGQ-GOTSBHOMSA-N 449.643 4.722 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1690503252 WGPWZYOYBHGJSX-UHFFFAOYSA-N 434.540 4.539 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCS1)C1CC1 1690539534 CPIXVCABTXUTKM-ZDUSSCGKSA-N 425.421 4.820 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CC1CCN(c2ccncc2)CC1 1690565212 DDQRLLCZNPSRFC-UHFFFAOYSA-N 444.627 4.981 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H](CC)N1CCc2ccccc2C1 1690594676 CQWSLFKSURADNG-DNQXCXABSA-N 435.616 4.535 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CCSC2)C1 1705511398 STGJVXRGNZKVDJ-NRFANRHFSA-N 445.430 4.845 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1705527238 UNMAFWWEGMVOMQ-FQEVSTJZSA-N 443.389 4.516 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCC(OC)CC1 1705616274 BFZGZWVEAIXJCV-UHFFFAOYSA-N 438.616 4.819 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCCOC 1705653568 KXHUOMWIOZNHAV-UHFFFAOYSA-N 435.018 4.652 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)CCSC 1705703981 QEJLJCMISPWUEA-LQWHRVPQSA-N 430.618 4.513 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccc(Cl)cc1 1705728221 BWYANTICLXLQGY-WOJBJXKFSA-N 432.996 4.941 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705749492 YNAJUZHQZGDKMW-HIFRSBDPSA-N 426.779 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1705793962 PVNSFUZOGDHBCI-UHFFFAOYSA-N 434.632 4.731 30 10 IJEE C=CCCCCCN(C)c1nnc(CN2CCCC2=O)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1705798897 FHDAXIHPCZEEGQ-ZWKOTPCHSA-N 441.542 4.877 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nc(C(C)C)cs1)C1CC1 1705858703 SQUHMFPISIRSTA-UHFFFAOYSA-N 427.549 4.779 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@](C)(CC)C1 1705940829 QJMXVAHFTOYPCL-DEOSSOPVSA-N 437.613 4.726 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1 1709799408 CYIMEQRCVVLSKM-NRFANRHFSA-N 434.613 4.698 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722277145 HOQFLERIVPNKPG-MZLICYQSSA-N 431.584 4.711 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OCCC)nc1 1722280683 LDTPCHJDUFSXRP-GOSISDBHSA-N 449.624 4.966 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722284165 IGNIHMHZDSYQSK-CEXWTWQISA-N 428.024 4.813 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1CCN(CCC)CC1 1722345487 ZTAYNEVVUKSDOY-UHFFFAOYSA-N 448.640 4.568 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722450923 DUBNASZZVYBZSN-BJLQDIEVSA-N 430.593 4.939 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(CC)Cc1ccc(OC)cc1OC 1722477575 HSAFIIBOGLVFTA-CQSZACIVSA-N 437.382 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1c(F)cccc1N1CCCC1 1722516067 RFDZMWIMMVHJOR-JOCHJYFZSA-N 427.568 4.710 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1722521511 SKWFWYSFDGDBIB-UHFFFAOYSA-N 425.577 4.665 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722533775 AJOZLTPGZNJDLW-VQIMIIECSA-N 447.505 4.578 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1722536181 LAKYKNYXFHPFIX-LJQANCHMSA-N 434.531 4.548 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2CCOCC2)CC1 1722574175 GXDLJPCOXPHKQC-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@@H](C)N2CCCCC2)CC1 1722579805 TYKDWULPDIERIH-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN(CC)C(C)C)CC1 1722581917 HIDBSSIXKDRSAZ-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722587636 VYMUUMBVOLROPX-SFHVURJKSA-N 429.996 4.505 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCC 1722587797 ALBPYWDNLLSTCK-RBUKOAKNSA-N 449.640 4.814 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1722614508 POUZHYGEVJTSQO-RTBURBONSA-N 434.588 4.684 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722617994 CFOIJQASUYIDCV-JOCHJYFZSA-N 427.662 4.845 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(OC(F)F)c1)C1CC1 1722645423 MDSWCQKMFKIRRM-UHFFFAOYSA-N 431.874 4.798 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc(C(C)(C)O)cc1 1722677135 VARVZIFGJVQROY-UHFFFAOYSA-N 436.600 4.971 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCC2(CCCCC2)C1 1722739938 MOLSJALMFXZDSC-UHFFFAOYSA-N 442.629 4.946 30 10 IJEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cccs1 1722968679 DPMZLIFSTRFMKP-IBGZPJMESA-N 448.596 4.525 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C 1728427501 HVQMBHWTUUFAPE-OAHLLOKOSA-N 428.993 4.508 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)cs1 1729820402 FUDSPAJBGXWXAT-MRXNPFEDSA-N 436.585 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1740555896 CLIFVZNFXMPILJ-LVCYWYKZSA-N 430.980 4.564 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1740721389 HIJRFEVGKAGYNN-UGKGYDQZSA-N 438.641 4.900 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)c2nccs2)CC1 1740818601 OIKVSDYVEQHOHK-SJORKVTESA-N 427.549 4.974 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC2CCN(CC)CC2)CC1 1740827667 GARWWGZXPWAEPZ-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H]1CC)c1ccccc1 1740855673 KSTDHMHZELBKOI-FGQYTZQDSA-N 438.616 4.987 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CC1 1740857527 PMIKWBPZPSITNE-LJQANCHMSA-N 447.624 4.569 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccn1 1740968350 IEMJCVFENOOGRB-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCSCCn1c(N2CCC(OCc3ccccc3F)CC2)nnc1C(C)(C)C 1741004668 IWQXUNXEWMSNHK-UHFFFAOYSA-N 432.609 4.820 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2CCCC(F)(F)F)c1 1742108852 DUURJUQDJKCGDR-UHFFFAOYSA-N 435.494 4.947 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1742865924 FMIBDKSYBRXNMQ-UPCLLVRISA-N 436.535 4.547 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[C@H]1C 1748915327 SOQUTXFPGOILIQ-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccsc1)N(C)C 1748918077 WBIGVYUBYATCPI-LJQANCHMSA-N 431.968 4.562 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1749022485 BJRKFCRLBNDXFA-UHFFFAOYSA-N 446.064 4.522 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@@H](C)[C@H]1C 1749024512 SUQLUPZFSFOQLV-SJORKVTESA-N 446.711 4.972 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cl)=C(Cl)C1 1749123524 FJGRZWLEZJGFBO-PXNSSMCTSA-N 444.366 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nnc1C(C)(C)C 1749140538 QMJLHLXRBAXLGL-NARAOEGZSA-N 427.420 4.577 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(CC(C)C)CC1 1749183232 SMGKBLFJBMEUGF-UHFFFAOYSA-N 425.621 4.724 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CCNc2ncc(Cl)cc2Cl)CC1 1749309811 ODKGGHKKZSFJOY-UHFFFAOYSA-N 435.403 4.981 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@@H]1C 1749386936 OREUFNCEACAXSG-MZKRTTBSSA-N 440.588 4.646 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)CC#N)n1 1751739817 DZOJYMOUFVPZOE-HKUYNNGSSA-N 438.601 4.781 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(Cl)nc1 1760125669 SCUOHPTVQJDDOF-AWEZNQCLSA-N 432.380 4.778 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)cc1 1760179583 UXJLLVAVNRQSJI-DNQXCXABSA-N 449.643 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H](C)c1ccco1 1760324400 KDSWZOXCYKHCJD-IXFSTUDKSA-N 440.519 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760413332 FHBDOFRQTWBOCD-KRWDZBQOSA-N 442.913 4.892 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1760438036 WZWGRLRTPWPQPT-RTBURBONSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCc1ncc(CC)s1 1760479026 BQDVEURSPWEGLZ-UHFFFAOYSA-N 443.580 4.599 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCc1ccccn1 1760490630 DAUMEJLSMYJILR-UHFFFAOYSA-N 442.336 4.663 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1760494946 AQGLKVUVENRPSC-OALUTQOASA-N 431.625 4.719 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CCc1nccnc1C 1760498331 NKFVSKCVRICVBN-UHFFFAOYSA-N 448.958 4.768 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C)[C@H]1CC 1760515396 NATQQBNRPLDRHS-GDBMZVCRSA-N 444.004 4.740 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N(C)[C@H](C)CC#N)C1 1762871234 ARZNATORLUMUFP-ZWKOTPCHSA-N 429.012 4.847 30 10 IJEE C=CCN(CC=C)c1nc(-c2cc[nH]c(=NCCCCN3CCCC3)c2)cc2cnccc12 1857844195 PUKPHGXOPXJQCO-UHFFFAOYSA-N 442.611 4.580 30 10 IJEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1 1858890170 SUVHJOUFHBCLNK-UHFFFAOYSA-N 429.520 4.545 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2)cc1C 1862396402 BANMPDFLILJVDY-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2ccc(O)cc2)c1 1862412158 XXHDQPXVDJLZMP-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862535164 AXVNUXQNSYRFOT-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862656132 WWJAWXWJTLVTAA-OSPHWJPCSA-N 445.515 4.588 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(C)c1 1862721724 JFROSHKINBWMIB-DEOSSOPVSA-N 427.500 4.887 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 1862748563 FBICIMPKSIOAQM-QFIPXVFZSA-N 446.434 4.555 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)cc1 1862892613 XTWJYRBGMMNFFK-UHFFFAOYSA-N 448.526 4.864 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862990264 URDVNWRDHRXAFR-UHFFFAOYSA-N 448.482 4.614 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCCCC)cc2)=C(c2cc(C)ccc2C)C1=O 1863401078 JNOVPAMPDSPMCF-UHFFFAOYSA-N 432.520 4.638 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccc(OC)cc2)C1=O 1863671405 QMBLKVIYVSYTHT-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE COc1cccc([C@H](C)CC(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)c1 1867113402 OKZZTYOYFBAXIR-IQGLISFBSA-N 427.504 4.557 30 10 IJEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871004466 GLRUFCKIBGIHTI-UHFFFAOYSA-N 447.554 4.700 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCCO)cc1 1871255515 ZPWHIAZWKGUXLI-UHFFFAOYSA-N 445.563 4.772 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1OC 1871374570 REWDTVYZEQELMJ-MSXFZWOLSA-N 430.456 4.777 30 10 IJEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871390476 YKQDKDYSBWMDIY-MTJSOVHGSA-N 432.428 4.985 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871407773 QRBHVEAQRJJTSG-DNPFKWNUSA-N 445.471 4.726 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871422456 LLRMUSSTRLCLLB-MTJSOVHGSA-N 433.485 4.893 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450506 HKRDMZIOLGGGIH-UAAGNOOKSA-N 436.445 4.679 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871456782 WJMIXTXYYZBQIJ-NHDPSOOVSA-N 448.406 4.676 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4C)ccc3C2=O)cc1 1871458990 KFCJKACTIVYCGV-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCC 1871815727 FEHXBIVMCLXYAC-SFHVURJKSA-N 434.524 4.821 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871856207 LFPWDHRXHPGHPO-QHCPKHFHSA-N 442.581 4.956 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872419998 DGIFHRXGZFNGIE-IBGZPJMESA-N 441.380 4.896 30 10 IJEE N#C[C@@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 1872765571 RUGQLSHWGOIPLF-HNNXBMFYSA-N 442.294 4.900 30 10 IJEE CCSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccn1C 1874194719 DFCVZBVGZWPNNQ-JJIBRWJFSA-N 425.602 4.920 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1cccc(O)c1 1874202338 WWCHGQSAZVHFKV-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc2c(c1)OCCO2 1874270158 ICVNXGFQVMFDIH-YZSQISJMSA-N 442.544 4.954 30 10 IJEE Cc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1ccc(C(F)(F)F)cc1 1874363712 SQINVKZZJCSUAM-CVKSISIWSA-N 448.514 4.747 30 10 IJEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1O 1874416989 SDZXWAPRXJEZJN-CVKSISIWSA-N 448.523 4.897 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)c(OC)c1 1874443925 OJLBOXMZODSPQO-LSCMLXDISA-N 438.553 4.630 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1sccc1C 1874504109 HBSQMOFYKFNVOX-WSDLNYQXSA-N 427.599 4.830 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874532944 KBGULCDCQJGSMJ-ZMOGYAJESA-N 432.553 4.707 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)OC)cc1OCCC 1874576484 PFUGLZISBUGABP-ZRDIBKRKSA-N 442.508 4.721 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1C 1874597128 WEJLHPIAXXVDTH-JXMROGBWSA-N 443.499 4.988 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1nccs1 1874627492 MVBNTMJYUWFZOZ-XVNBXDOJSA-N 444.459 4.734 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3)c2)c1 1874704288 GXLUDKALWXQABL-FMIVXFBMSA-N 432.472 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc2c(c1)OCO2 1875128372 WWLYZHNMUXWSRP-CSKARUKUSA-N 432.428 4.548 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)c(OC)c1 1875176985 VOVQFSMDQWPLHA-UXBLZVDNSA-N 427.453 4.850 30 10 IJEE CC(C)(CNC(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1)c1ccsc1 1890448859 PORHCEUECPDYIE-UHFFFAOYSA-N 440.594 4.647 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1894492681 REOKKVZNQBLNRY-DNQXCXABSA-N 438.483 4.607 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@H](O)c1cc(Br)ccc1OCCC 1922051076 FKOSXFKYUFXZIN-FCHUYYIVSA-N 434.374 4.632 30 10 IJEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1987805030 RPZMNMKRZJKNTG-LIRRHRJNSA-N 435.487 4.714 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCC2 2005325261 JPBNAQKWWQVZRE-VLIAUNLRSA-N 447.498 4.763 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2cccc(Cl)c2Br)C1 2063052190 QRYSQGZFLSEWRS-OAHLLOKOSA-N 430.770 4.867 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 2078848337 SROOGHMBBRMGJU-CYFREDJKSA-N 445.560 4.976 30 10 IJEE CC[C@@H](C)[C@@H]1CSC(=Nc2cc(I)ccc2Br)N1 2081318709 GLCMQMHHWAQMTE-PELKAZGASA-N 439.160 4.792 30 10 IJEE CCOc1ccc2c(c1)NC(=O)C2=NNc1ncnc2scc(-c3ccc(C)cc3)c12 2087886438 WWKTWSKOANUIBW-UHFFFAOYSA-N 429.505 4.834 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 2106023879 MAFQBYNUVJGWKE-TZMCWYRMSA-N 426.330 4.955 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1cc(Br)cc(F)c1C#N 2107437726 BSIYQHZQQGCPHU-YVEFUNNKSA-N 426.330 4.907 30 10 IJEE C=CCN(CC[C@@H](NC)c1ccc(Br)c2nsnc12)C(=O)OC(C)(C)C 2137375919 NFDZIDJVAMZGGB-CQSZACIVSA-N 441.395 4.528 30 10 IJEE N#Cc1cc(Br)ccc1N[C@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156285918 VUKREBCPQGGNJC-IFMALSPDSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3Nc1cc(Br)c(C#N)cc1F 2169552214 PBBKNFCAOJNENC-FVSDSDPWSA-N 436.325 4.516 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 2235748162 XFNQONRQJLLGDG-OXJNMPFZSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](O)C#Cc2ccccc2Cl)C1 2252763590 KICSFKLYFZCAKG-QFIPXVFZSA-N 441.955 4.506 30 10 IJEE C[C@@H]1[C@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267097535 POXIYZPBIYEBDE-DZVQBONVSA-N 440.437 4.664 30 10 IJEE CC1(C)OB(c2scnc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)OC1(C)C 2282020561 ZUVLUOKPIXAIBZ-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(CC=C)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 2294143911 SVKOTWPXSHFRBV-UHFFFAOYSA-N 437.492 4.811 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@@H](N)C#Cc1cccc(Br)c1)C2 2296215747 DFLROVLHLLTHAJ-UFYCRDLUSA-N 433.390 4.696 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2296218592 FYOYPHBSUSJRAJ-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C 2296222361 RCWJMAJYFUBCQG-PERKRYKHSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2296274427 UPDIGXKNXSUKII-DLBZAZTESA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(N)C#Cc1ccc(Br)cc1 2296295583 FIZSGZHPTGMZEX-HTAPYJJXSA-N 433.390 4.603 30 10 IJEE C[C@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)C1 2296598751 CQEZUTLYWOFDHN-AWEZNQCLSA-N 441.911 4.760 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc(OC)c1OC 2296865951 PKMDXAYAQJDAEM-UHFFFAOYSA-N 438.457 4.609 30 10 IJEE C=CCC1(NCC23CC(CCN2C(=O)OC(C)(C)C)C3)CCN(C(=O)OC(C)(C)C)CC1 2318949856 SPZWITPQWYGLBC-UHFFFAOYSA-N 449.636 4.711 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 2322099074 READWAFYKSJWMP-UHFFFAOYSA-N 431.419 4.523 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)cc(OC)c1O 2322206908 UUQQFOKKQUSEDJ-UHFFFAOYSA-N 448.548 4.500 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cccc(Br)c2)cccc1OC 2322466276 NKOTVWZQLDWATK-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1[N+](=O)[O-] 2323230151 POWHDERMNVAOJJ-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OCC 2323595704 LRUGVVHOBGMXQO-UHFFFAOYSA-N 446.341 4.649 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)cc1 2323842699 JEJNMFUMWRFXAX-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2c1C(=O)C(=Cc1ccccc1)O2 2324169431 JOSLBEHEBIHMRO-UHFFFAOYSA-N 426.516 4.639 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c(C)c1 2324883236 WHBTYKMSTZCCFF-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)C(=Cc1ccccc1Cl)O2 2325589496 SAODNUXOQHVUJS-UHFFFAOYSA-N 426.881 4.739 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(C)cc1 2330507175 MKUDTSMETLIXTI-UHFFFAOYSA-N 449.624 4.800 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1c(F)cccc1Cl 2330623912 RZYDCZNIJBNZGC-UHFFFAOYSA-N 445.951 4.580 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331108707 AGDMPZSKIVEUDP-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCC2)cc1OC 2331521155 HBMLCDFUSKUCNC-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2331664961 RGPBNWRIHHEOQM-MRXNPFEDSA-N 441.988 4.736 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2F)c1 2331684678 HYJONYZRIUWDCV-UHFFFAOYSA-N 443.523 4.910 30 10 IJEE CC[C@H](NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514041 TZPCCOGBZPVFKR-DQEYMECFSA-N 434.433 4.691 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)C#Cc1ccccc1Br 2358950997 JXONNZVBGPUSFD-YTQUADARSA-N 432.358 4.938 30 10 IJEE CC[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844578 SPKDORYFIJVPMW-NYMACZPPSA-N 448.460 4.937 30 10 IJEE Cc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 3041843 TUKFOIDJBSUAOL-QLYXXIJNSA-N 434.952 4.886 30 10 IJEE CCOCCc1nnc(/N=C(\O)C(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)s1 8587735 SQVOYLKQUNMSPI-UHFFFAOYSA-N 426.542 4.612 30 10 IJEE C=CCNc1ncnc2sc(C(=O)NCc3csc(Cc4ccccc4)n3)c(C)c12 12218050 XJYYFNQNWXXAPH-UHFFFAOYSA-N 435.578 4.575 30 10 IJEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2F)c1 32943416 PAVJXFTZYLKBPO-UHFFFAOYSA-N 430.483 4.756 30 10 IJEE biogenic C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1 35809369 CRCPPIJFQBYNCI-UHFFFAOYSA-N 430.548 4.796 30 10 IJEE C=CCOc1cccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCOC)c1 38705552 LJDYHPIQGLNCQF-VWLOTQADSA-N 447.535 4.546 30 10 IJEE C=CCNC(=O)c1cc(-c2csc(-c3ccnc(CC)c3)n2)n(C[C@@H]2CCCO2)c1C 43251586 WKFNAMRMAIHCDQ-IBGZPJMESA-N 436.581 4.639 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@H]1CCCN(CCC#N)C1 62039361 FKDIRUDUVRURCQ-IBGZPJMESA-N 439.581 4.773 30 10 IJEE COc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c1 100373123 RLOXOLOMXSCPHH-YMVPSHTBSA-N 445.544 4.856 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1C 169905360 MDGOISUCGVRQCH-ZVHZXABRSA-N 428.941 4.848 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccncc2)c1 170014743 YJIHNAFYIZQWHH-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 170081877 GXDVICJAUKFLQH-NRFANRHFSA-N 430.847 4.700 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccc(O)cc3)ccc2O1 170131440 JEPLCEBWTWREIH-LFVRLGFBSA-N 445.446 4.638 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccs1 170160118 MZJNVYLPNWAYNO-JOCHJYFZSA-N 447.512 4.865 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2cccnc2)cc1 170190884 AASDWDOITLQKRW-XMMPIXPASA-N 431.451 4.889 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1cccnc1 170195281 JWKQJFWCOKCXSP-KRWDZBQOSA-N 435.307 4.775 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170199668 UZTUCKHETCRHPB-LJQANCHMSA-N 426.806 4.796 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)cc1C 170233770 MRAXPBTWZBQSAD-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C(C)C)cc1 170244628 CTSDQCLSJYLFIB-QHCPKHFHSA-N 437.536 4.742 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(C(C)C)cc1 170244829 XHNMSEVTQZJURG-XMMPIXPASA-N 449.547 4.750 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)cc1 170285417 KXYFRQREISJMEI-CMJOXMDJSA-N 445.471 4.785 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OCC)c2)c1 170363407 VKJCARQLPKRWHV-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O 229294823 NVHJKSWOYIWHSI-HVAUEGPVSA-N 425.554 4.646 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cnn(-c2ccccc2)c1 409452126 HTPUNWLCSMQQQD-UHFFFAOYSA-N 443.320 4.672 30 10 IJEE N#CC1CCC(CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)CC1 441138940 WHTCIZSTIPPZRN-UHFFFAOYSA-N 449.555 4.612 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 460384807 DGDIBSWPDPKBSW-QPPBQGQZSA-N 446.551 4.889 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460944165 CVJCHQGQKCXOBR-MHZLTWQESA-N 446.595 4.526 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCOC)Cc1scnc1C 460959217 QDCPPNLNGHUJQV-UHFFFAOYSA-N 435.956 4.732 30 10 IJEE C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 507681625 DTYCRTUULIZBQJ-KKSFZXQISA-N 430.533 4.620 30 10 IJEE C=CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 508797905 PTXIQADYHRBQDO-GOSISDBHSA-N 441.576 4.526 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1Cl 508887846 KWXFUZVYSYBEFV-UHFFFAOYSA-N 432.753 4.502 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 509002885 UPDGUXRACWHPEB-KRWDZBQOSA-N 439.585 4.606 30 10 IJEE C[C@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCN1C(=O)c1ccccc1 523944336 DJSZUJOSJXEHPS-AREMUKBSSA-N 425.488 4.984 30 10 IJEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc(Cl)c1O 526802813 NXGMECSHWMADNU-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE CCOc1ccc(/C=N\n2cnnc2SCc2cccc(F)c2)cc1Br 526824515 GQUBJZUEJMRBDQ-YVNNLAQVSA-N 435.322 4.753 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(=O)N2CCCCC2)CC1 549275688 IQRZBTKKGRMZCV-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE CCOc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(N3CCCCC3)cc2)cc1 586254182 PDDUQIBTNOJUAK-UHFFFAOYSA-N 427.570 4.575 30 10 IJEE C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)c1 605645215 DBXFTKABRZNCNA-UHFFFAOYSA-N 432.973 4.760 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccc(COc3ccccc3Br)cc2)c(F)c1 609229505 WCYOICLYHPQYSG-UHFFFAOYSA-N 439.284 4.969 30 10 IJEE N#Cc1nc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1Cl 687754942 ATSBWNVOCDZSFU-OAQYLSRUSA-N 447.878 4.661 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 693765644 WTUVQKPWTXBRNM-XCGNWRKASA-N 448.568 4.852 30 10 IJEE C=C(COC(C)C)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705409938 PTJPBAAZXCPJMB-ACIOBRDBSA-N 434.621 4.834 30 10 IJEE C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 732919450 GUZWTUCBEVRIBB-MRXNPFEDSA-N 442.544 4.998 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(Cl)cc1 733202729 WLVPETFJEZDWPW-SFHVURJKSA-N 447.894 4.602 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@H]1CCOc2ccc(Br)cc21 741565283 YJAMYFVEMPXGMK-MDYRTPRTSA-N 446.291 4.816 30 10 IJEE C/C(=C\C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1C(F)(F)F 745273695 QANXQPQPSOHJFD-IWLLYFRBSA-N 430.426 4.987 30 10 IJEE C=C(C)CNC(=S)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 752780435 NOBDABRTWZBKRY-IBGZPJMESA-N 433.577 4.701 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C(=O)OCc1cc(Cl)ccc1OCC#N)c1ccccc1 769524680 QGRAJJHTUMWKPV-QHCPKHFHSA-N 444.915 4.726 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)[C@@H](C#N)c1nc2ccccc2s1 796755494 WKCPVFHZHONJQZ-CQSZACIVSA-N 429.295 4.517 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1=S 797414382 AAXXWFBRMUBHHJ-PNLZDCPESA-N 449.020 4.536 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 799219651 WFNNMRWXFPKYTB-OAQYLSRUSA-N 431.492 4.572 30 10 IJEE C=CCC1(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CCOCC1 1128058578 HRXRBSAMUVOFAP-UHFFFAOYSA-N 441.368 4.880 30 10 IJEE C=C(Cl)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)C(=O)OCC 1132192351 FDABSORVSQILQI-FKBYEOEOSA-N 427.928 4.560 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1161623834 HAZNCIYOKYUIEM-MRXNPFEDSA-N 448.972 4.578 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCc3c(F)ccc(Br)c3C2)cc1 1170709687 DBPZGUTWOUCADR-INIZCTEOSA-N 444.348 4.590 30 10 IJEE CCCC[C@@H](SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C(=O)OC 1189265354 BQEMDAPBIQVCKD-HXUWFJFHSA-N 445.560 4.568 30 10 IJEE N#Cc1ccc(Br)c(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 1189901833 GUNJPEPKAANVPB-FQEVSTJZSA-N 427.323 4.667 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc(F)cc2F)n(-c2ccc(F)cc2)c1C 1192822977 BBZZSEPQWMHVQN-CQSZACIVSA-N 426.442 4.672 30 10 IJEE CCOc1ccc(-c2nc(CN3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)co2)cc1 1193988830 HAKQQRUIKKADNZ-QHCPKHFHSA-N 436.943 4.776 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C 1206194170 DQZJNSOGUYFFLD-GOSISDBHSA-N 436.325 4.577 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)cc2)nc1 1214965203 IARVOFZPPYYZEP-QFIPXVFZSA-N 441.535 4.779 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)Cc1cc(F)cc(OC)c1 1219086691 KOQCJRUQCMYKCV-ZDUSSCGKSA-N 437.309 4.914 30 10 IJEE C=CCC1(NC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CCCCC1 1251849002 JSKYNIAEBQYLPH-UHFFFAOYSA-N 434.422 4.992 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl 1264272639 ACLSCJOAXBOBFW-UHFFFAOYSA-N 429.904 4.855 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)c1ccc(Cl)cc1F 1275497685 HOKAZLLSOKDUMM-IBGZPJMESA-N 429.829 4.536 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1 1278998678 NPHFPRMRSOLDDH-NQIIRXRSSA-N 443.565 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCC1CC(OC(C)(C)C)C1 1286303424 IVGQYDYLLZFEIR-YGWXTMFKSA-N 438.616 4.514 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C)C1 1286316422 KRAIPCIZUQBPRJ-MOPGFXCFSA-N 428.602 4.562 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286316705 LKDQKTMKJOIELA-VXKWHMMOSA-N 432.572 4.699 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286319917 ZJFPQDCWMBMBCJ-KRWDZBQOSA-N 443.979 4.505 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1286347722 QALJVYGMTUBMLG-RBUKOAKNSA-N 449.368 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1286560125 BXDMFIGVGUIATG-ZOCZFRKYSA-N 427.499 4.730 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1286612410 DMWAKMHAUHTREL-VLCRHTCISA-N 428.552 4.604 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@H]1C 1286706651 RXBWWMKOTZKPCU-UYAOXDASSA-N 430.618 4.569 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CO)CC1 1286708682 RQVARDCGFMGEAQ-UHFFFAOYSA-N 447.004 4.615 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CC[S@](=O)C(C)(C)C)C1CC1 1286739527 GOQLKSAGNHJYMS-LJAQVGFWSA-N 432.659 4.581 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1ccc(Cl)nc1 1286740780 WPWFGSOTDBUDLF-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1286771031 UAHGLDPXJPUWCK-LEWJYISDSA-N 441.595 4.692 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1)OC 1291952780 HIMWKIIOGUMTON-BWKNWUBXSA-N 439.604 4.925 30 10 IJEE C=CC[C@@H](C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1293985949 GKMOBSSJTYDXGP-IEBWSBKVSA-N 431.376 4.931 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1ncc(C)s1 1300324447 FPBHQOZAOXHWCG-IRXDYDNUSA-N 425.627 4.905 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](C)c1ccc(OC)cc1 1300327397 BWSRZOJCIFNYPP-TWRVUUBYSA-N 438.616 4.857 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1CC(OCC)C1 1300564519 DUCZTSAEQCSCDO-UHFFFAOYSA-N 445.394 4.920 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1300770343 TVHIJAQUXBEYQQ-YYWHXJBOSA-N 445.032 4.892 30 10 IJEE C=C(Br)Cn1c(N2CC[C@@H](Oc3ccccc3Cl)C2)nnc1C(C)(C)C 1300861346 GXTVOHMJLAOKMU-CQSZACIVSA-N 439.785 4.795 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1 1300956333 ZUJACHLNNSLTHZ-FQEVSTJZSA-N 428.483 4.804 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCOC(C)(C)C)CC1 1301135350 JYEUXRXBJVUJQQ-UHFFFAOYSA-N 430.618 4.797 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1301185600 IAFSPVJPZSNSHQ-FQEVSTJZSA-N 448.615 4.904 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(F)c1)C1CC1 1301331330 IDYONMQNXHWKBV-FQEVSTJZSA-N 441.551 4.692 30 10 IJEE CC(C)(C)CN(CCC#N)S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 1309164606 HDBAQLGACUVXHO-UHFFFAOYSA-N 431.505 4.779 30 10 IJEE C#C[C@H](NC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1)c1ccc(F)cc1 1310500669 VCPOLMYSWDMIFZ-IBGZPJMESA-N 441.304 4.887 30 10 IJEE C[C@H](Cc1cccnc1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1310693414 GSKJUCFLVSYEBZ-CYBMUJFWSA-N 445.470 4.772 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC[C@@H](N2CCCC2)C1 1310923847 IEHCWVJYHQWXPG-CQSZACIVSA-N 427.364 4.678 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)cc(Cl)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 1311128019 PYOOWIVGVLRBFS-UHFFFAOYSA-N 444.334 4.999 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1347903830 XOFAPXZQHCVRPC-LJQANCHMSA-N 442.581 4.558 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)c3ccc(OCC(=O)OC(C)(C)C)cc3)c2C#N)C1 1349771915 GIZSUEBMGSKROO-CQSZACIVSA-N 426.538 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(Br)cc1Cl 1351773646 TXPNUDXDORRHFC-CQSZACIVSA-N 430.730 4.628 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1c1cccc(C)c1 1354037919 DZENAAOWACTNTG-DHLKQENFSA-N 440.503 4.602 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COc1cc(Cl)cc(Cl)c1 1356181174 FYCZGFGJJNXVQJ-UHFFFAOYSA-N 425.264 4.502 30 10 IJEE COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 1357984726 GBSBTCZJNSCXIS-HXUWFJFHSA-N 443.400 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN(C)C(C)C 1358872454 UVHJMIGBDSOGRZ-PMACEKPBSA-N 446.039 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)cc1 1358877290 AWZWLEKVJORUQZ-CYBMUJFWSA-N 433.350 4.609 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1SC 1358936121 DJJJHASOKUUZAR-TZIWHRDSSA-N 426.630 4.968 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOc1ccc(C)cc1 1358941921 BYLYVNVOUQTNQW-IBGZPJMESA-N 434.609 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1359112704 QPYCBAZIFNTTEF-UHFFFAOYSA-N 430.906 4.792 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1359119369 OBONKPGOFZABCI-UHFFFAOYSA-N 434.569 4.820 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(OC)C1 1359128280 PBTHBLHRJVRKSM-MHECFPHRSA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccnc(C(F)(F)F)c2)CC1 1359162708 AVKJFEAUYKBOOV-UHFFFAOYSA-N 429.446 4.572 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CSCCS2)CC1 1359181384 QSQQTXBVZVLJJD-OAQYLSRUSA-N 444.670 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC12CCOCC2 1359267515 IZBUKAFJAGLAEL-SFHVURJKSA-N 443.389 4.703 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@](C)(OC)C1 1359284813 OJQLVPSTSXUXOV-SFHVURJKSA-N 425.758 4.552 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@@H](SC)C1 1359345740 PAPOIXALWQLKIC-HXUWFJFHSA-N 441.670 4.922 30 10 IJEE C[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@](F)(C#N)C1)Oc1ccc(Cl)cc1 1360577501 BVHBVMCJEJNAPB-ZHRRBRCNSA-N 431.943 4.574 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Br)cnc1F 1360649724 PQQHFPCHFPKKFN-UHFFFAOYSA-N 446.089 4.713 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccccc2)cn1)[C@@H](Cc1ccccc1)C(=O)OCC 1435902193 YRLHWFPBENBXRT-DEOSSOPVSA-N 430.504 4.677 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(F)c(F)c1 1435951435 PJUZYJAQUOOPBM-QFIPXVFZSA-N 432.426 4.813 30 10 IJEE CC(=O)Nc1cccnc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1444929399 DTVDXSKPKGLRKE-UHFFFAOYSA-N 440.381 4.975 30 10 IJEE C#C[C@H](NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1)c1ccc(Cl)cc1F 1449314335 JADIMYTWAOFUHF-FQEVSTJZSA-N 442.947 4.766 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1 1458132770 FJGKBMSUDDNVPG-WMZHIEFXSA-N 426.582 4.545 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)COc3nc4c(cc3C#N)CCCCC4)CC2)cc1 1459229315 GHUJDMCUJHFZAY-UHFFFAOYSA-N 431.580 4.781 30 10 IJEE C=CCC[C@@H](NCC(=O)NC(=O)Nc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1459825315 KYJAIYFBKWAADF-LJQANCHMSA-N 435.446 4.659 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)cc1OC 1461476955 NUVBAQNYPWOYNC-SFHVURJKSA-N 426.985 4.942 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cc(Cl)cc(S(=O)(=O)CC)c2)cc1OC 1461575401 FEAXBRZDMZMYFN-UHFFFAOYSA-N 444.380 4.650 30 10 IJEE N#Cc1nc(NC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)ccc1Br 1467111158 GEJNVJSGTXZARA-UHFFFAOYSA-N 448.324 4.974 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccc(C)cc3)C2(C)C)cc1 1475974086 QXQAWHACCUNFNF-QFIPXVFZSA-N 441.597 4.602 30 10 IJEE C#CCN(C(=O)Nc1ccc(-c2ccco2)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1476487770 WNUKMRLZWSZXOS-UHFFFAOYSA-N 441.503 4.952 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 1476728446 ATJSUBBVDPYXCZ-IBGZPJMESA-N 449.345 4.656 30 10 IJEE C#CCN(C)CCCNC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 1477853485 KLMGDKIWFCILON-NRFANRHFSA-N 436.358 4.671 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CC[C@@H](F)C2)cc1 1502850759 GPIQLGAZIDZVLZ-AKHDSKFASA-N 429.540 4.551 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](CN(C)CCC)C1 1507555140 HTAFDAGETUETRN-QFIPXVFZSA-N 444.627 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)[C@@H](C)CC 1507823069 CILJYLKNVKHADP-UFYCRDLUSA-N 449.640 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 1507823193 DAFYMEREBFGEKX-SJLPKXTDSA-N 446.665 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507913398 YGXHHLMREIKLRC-OAQYLSRUSA-N 438.616 4.878 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1)c1ccccc1 1507930408 WQYKJRQNEIYJBQ-OAQYLSRUSA-N 447.583 4.501 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)OC(C)(C)C1 1507936572 CZFQRDSKUUIPSY-GOSISDBHSA-N 430.618 4.939 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)C1 1508122898 BCZMNUISZBJNHQ-HXUWFJFHSA-N 434.506 4.615 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1508154090 UHQQSKDRHGAFPV-GOSISDBHSA-N 434.556 4.745 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3C)nnc2N2CCC(CC#N)CC2)c(C)o1 1510551557 GRPSQCCFYYDOTQ-VWLOTQADSA-N 433.556 4.501 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C)C(=O)OC(C)(C)C 1515718466 AHPQPHFQRQWIRF-UHFFFAOYSA-N 440.592 4.556 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)C1(C)C 1516374806 CBERWFAIUZFZGB-SESVDKBCSA-N 439.629 4.600 30 10 IJEE C=CC[C@@H](OC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(Cl)c(Cl)c1 1519082125 NGNWHCXBKNUEHQ-WAPLAKNRSA-N 439.339 4.655 30 10 IJEE N#Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccs2)cc1Cl 1519211509 BTLHTOXXQQOMAX-NHCUHLMSSA-N 435.980 4.805 30 10 IJEE C#Cc1ccc([C@H](OC(=O)COc2ccc(Br)c(C)c2)C(F)(F)F)cc1 1525705795 LSZBQCCFSKFBRU-SFHVURJKSA-N 427.216 4.964 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccc(F)cc1 1528464206 ZAACAONCALJIBY-GOSISDBHSA-N 435.808 4.847 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 1534421628 HWZCETFIKDJICU-UHFFFAOYSA-N 439.902 4.905 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(CN2CCCCC2=O)cc1 1535433010 LQAIELODYAUOST-UHFFFAOYSA-N 443.341 4.779 30 10 IJEE C#C[C@@H](CC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1535483121 CSZIJWKIEOUYIE-MBWHEXEYSA-N 426.516 4.880 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCCc2ccc(Br)cc2F)cc1OC 1537877204 UKHYFLJCJHRJLN-XFFZJAGNSA-N 448.332 4.924 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC(C)(C)c3ccc(F)cc32)nnc1-c1ccco1 1538002175 IMSYNZHHPXZXTP-UHFFFAOYSA-N 426.517 4.670 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)cc1OC 1538173754 HPBNVKQSBGPEBH-PKHIPVCBSA-N 444.572 4.521 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)cc1OC 1538517455 NIEGWNPPKSFSKH-WYMLVPIESA-N 446.591 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1539026499 VXXIPNYWHQEFHF-VABKMULXSA-N 435.660 4.668 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCSC2(CCCCC2)C1 1539078026 QUJNJKNGZCHIDH-UHFFFAOYSA-N 429.659 4.693 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1ccc(C)cc1 1539338256 SUDSFHQHRGYKHG-GMKZXUHWSA-N 432.612 4.772 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1cccc(C)c1 1539595517 CQVUPDWYXBEEOK-MOPGFXCFSA-N 431.378 4.731 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl)c1ccccc1 1539636997 YKICFIPXGLKKHF-GDLZYMKVSA-N 431.920 4.886 30 10 IJEE C=C(Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC(N)=O)c1ccccc1 1539764977 BQSVKHLPUCMASQ-WMZOPIPTSA-N 449.624 4.545 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccc(OC)c2)CC1 1539835947 JMCASJDDJBRYTD-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 1539947498 KIERYAAYMCPKLN-PKTZIBPZSA-N 437.632 4.578 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1539974806 VNTTYOJHUTVXJA-GOSISDBHSA-N 440.542 4.898 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1ccsc1)N(C)C 1540048500 WOKSAAHVTFFDCF-UZLBHIALSA-N 429.565 4.544 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1CCN(CCC)C(=O)OC(C)(C)C)C1CC1 1540102827 UQNIDOJIYPAFEP-UHFFFAOYSA-N 425.577 4.747 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cnc(C)s1 1540911948 HQEXYEQVHXXIAA-UHFFFAOYSA-N 436.610 4.814 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 1543040165 ZFOWEFQNXWSLOS-HKUYNNGSSA-N 432.973 4.914 30 10 IJEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(C)(C)C)cs1 1554201190 GVYRSCUYIHCFCI-UHFFFAOYSA-N 449.609 4.712 30 10 IJEE C#CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 1559820728 NZFCWTGEWIYVBO-ZWKOTPCHSA-N 438.593 4.512 30 10 IJEE C=CCn1ncc2ccc(NCc3cc(OC)c(OCC(F)(F)F)cc3[N+](=O)[O-])cc21 1560605539 ZAVUCQJHVXNGDL-UHFFFAOYSA-N 436.390 4.692 30 10 IJEE Cc1ccc(-c2cccc(CNS(=O)(=O)c3cc(Br)ccc3C#N)c2)cc1 1561380863 HTVMDTVVWWBFGX-UHFFFAOYSA-N 441.350 4.775 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 1562260202 HAAQRHKVSRLFDC-RUZDIDTESA-N 438.531 4.730 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(C)c(S(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1583128669 MAVHRCSLZSRAGZ-SFHVURJKSA-N 425.472 4.855 30 10 IJEE C=C[C@@H](CC(=O)N1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1)c1ccccc1 1583548367 YQNRPNCBVKIJKO-IBGZPJMESA-N 426.582 4.769 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1586391956 LWSYXFLYWJDFAT-GOSISDBHSA-N 444.984 4.662 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 1587437600 SLGDOFLRYJDQHS-CVDCTZTESA-N 436.955 4.709 30 10 IJEE CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2)c1cccc(C(F)(F)F)c1 1588069818 GKQHCCJJCPMFMW-OAHLLOKOSA-N 435.471 4.675 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCSC(C)C 1588253815 FQQAIZNYSNFOQU-UHFFFAOYSA-N 433.046 4.828 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCc2cccnc21 1588280465 LITXSDCKYBIQGF-IBGZPJMESA-N 437.494 4.521 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1589557129 GTPBSNUOYXXVNJ-QPPBQGQZSA-N 426.580 4.862 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589559975 WBXMXMJLSUQTAM-ZRAXVTTISA-N 448.533 4.717 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC(c2nccs2)CC1 1593722434 PUFBAYMNEZWDGA-UHFFFAOYSA-N 427.549 4.517 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccco1)Cc1ccco1 1593834094 IEACBMFWVXAUSK-UHFFFAOYSA-N 439.859 4.999 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1594473772 ZXHCMCRXKKSPNH-XMMPIXPASA-N 442.629 4.898 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1594544699 MQNPTBAKTRSEKD-IFMALSPDSA-N 439.604 4.688 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2sccc2C1)C(C)C 1595166008 PEOKVKYYGMZHBW-OAQYLSRUSA-N 436.629 4.596 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1595343235 IKPHXLMDRVTSFX-CQSZACIVSA-N 445.386 4.958 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1595665378 SVRFHJWGQUPRGA-RPUPUWCGSA-N 442.579 4.604 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1)OCC 1611078029 SWDBPXABMRUWMM-ZCYQVOJMSA-N 426.988 4.945 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1612862035 HASNSRGRZDYEMR-QRFRQXIXSA-N 447.505 4.944 30 10 IJEE COc1ccc([C@H]2/C(=C(O)\C=C\c3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1OC 1615020363 JKFDOINLEPFGLP-QNCYSTBWSA-N 441.483 4.886 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)cc1OC 1615601054 WPQOZBZHKKKECE-XYOKQWHBSA-N 446.551 4.774 30 10 IJEE C[C@H]1C[C@@H](CO)CN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 1623163823 GDPPEUMUGLABLD-LSDHHAIUSA-N 433.430 4.852 30 10 IJEE CCCc1c(NC(=O)N2CC(Cc3c(F)cccc3F)C2)cnn1-c1cccc(C#N)c1 1623857757 HNPISGZFIGYLRJ-UHFFFAOYSA-N 435.478 4.681 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)C[S@](=O)c3ccc(Cl)cc3)c2)cc1 1624918529 AQSAEJFFXWSNDP-PMERELPUSA-N 438.936 4.731 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2ccc(SC(C)(C)C)c(F)c2)[C@H](C#N)C1 1625154752 FXKFTFXTMZYEOS-CZUORRHYSA-N 436.553 4.597 30 10 IJEE Cc1c(C(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)sc2ccc(C#N)cc12 1628124452 GWFVEDACCWENDY-UHFFFAOYSA-N 449.498 4.631 30 10 IJEE C=CC1(CC(=O)NCc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 1630052252 XILSURBPQDQUHZ-UHFFFAOYSA-N 443.769 4.532 30 10 IJEE C#CCN1CCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1631779032 XFRKWDQGDRWGJT-CVDCTZTESA-N 440.374 4.820 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)C1 1632364404 OEIBIOKKIIHHKB-VGOFRKELSA-N 447.000 4.831 30 10 IJEE CC#CCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(C)CC1 1633030218 ZHGROKRVJZDRGC-UHFFFAOYSA-N 430.548 4.614 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[C@H]3C)ccc2c1=O 1633581086 BJFWEYPXTRMNKY-CFSSXQINSA-N 439.968 4.652 30 10 IJEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCCC1 1633717786 FYWQNRJHODPWLU-UHFFFAOYSA-N 434.540 4.869 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1634393502 WJUJZDYNFCMCSV-MRXNPFEDSA-N 439.364 4.975 30 10 IJEE C=CCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C2CC2)cc(OC)c1OC 1634590259 MASWGZKTTMUCGU-DEOSSOPVSA-N 437.536 4.599 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCC(=O)c2sc(C(C)C)nc2C)s1 1637117681 DJOBAUWRFFZWGR-UHFFFAOYSA-N 444.047 4.726 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCc2ccc(Cl)cc21)C1CCN(C(=O)OC(C)(C)C)CC1 1637395253 XZUSMIWYKAXTAH-OAQYLSRUSA-N 445.991 4.762 30 10 IJEE C=CC(C)(C)CCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1637455589 UMZUIIABIDISJB-GOSISDBHSA-N 439.369 4.692 30 10 IJEE C=C1CC(C)(C(=O)N2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)C1 1637945769 ZWDSGCJLSKSAMD-LJQANCHMSA-N 426.557 4.752 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C 1638664155 CXEPEYOWVMIDFL-ROUUACIJSA-N 442.478 4.711 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](C)NC(=O)OC(C)(C)C 1640706452 QBDNOPXWTRBOQV-CQSZACIVSA-N 438.981 4.702 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)c(OC)c1 1641078615 IHWWHCVEMJXLNZ-UHFFFAOYSA-N 440.540 4.808 30 10 IJEE C=CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1641280403 NXTPFXQBQWZCEZ-CYBMUJFWSA-N 427.353 4.797 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3n[nH]c(C(F)(F)F)c3-c3ccccc3)C2)c(F)c1 1641905584 GFSBUPHPVIATDG-OAHLLOKOSA-N 443.404 4.571 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 1644659109 LYSOYIPVQNXBCK-HNNXBMFYSA-N 433.763 4.914 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)cc2n1 1646449835 CGYACDCYSDOKPS-VWLOTQADSA-N 427.504 4.864 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](C(C)C)CC2 1646563328 HSBPKUBTZIUXHH-ZFWWWQNUSA-N 427.998 4.878 30 10 IJEE COc1ccc(-n2c(SCC(=O)N(C)C3(C#N)CCCCC3)nc3ccccc32)cc1 1652430753 ASANAFKIZPYBKJ-UHFFFAOYSA-N 434.565 4.811 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)Cc2ccccc2F)c1 1653370413 BLYVBBPGEOXMTP-UHFFFAOYSA-N 426.465 4.530 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)c1C 1653583888 CUCJYLBWRBLKPM-HHHXNRCGSA-N 441.575 4.786 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccc(C(C)C)cc2)nn1-c1ccccc1)C1CSC1 1654190206 ASVBVLKBMBAOHA-UHFFFAOYSA-N 444.604 4.652 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)CCC)nc2sc3c(c2c1=O)CCCCC3 1655979880 ZIFZBDHECCRXOA-GJZGRUSLSA-N 433.643 4.698 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2c(OC(F)F)ccc3ccccc23)cc1 1656933089 DDQRBPAMOZLDFW-UHFFFAOYSA-N 432.492 4.860 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](c3ccccc3Cl)C2)n(-c2ccccc2)c1C 1657288491 HFKTXQWWRUMYBA-HSZRJFAPSA-N 448.954 4.631 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1 1666887810 PEPAJAUDHRJHGH-DEOSSOPVSA-N 431.561 4.760 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 1667018293 FRVYFOYZVWDCAD-MNEFBYGVSA-N 444.601 4.896 30 10 IJEE C=CCCC1(CNC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CCCC1 1668100914 JMLMCULZMJKUAR-FQEVSTJZSA-N 430.612 4.854 30 10 IJEE Cc1c([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2C#N)sc2ccccc12 1668472620 FSCZPJTZZBQHBT-GFCCVEGCSA-N 435.368 4.883 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 1669581675 QNCZTURTGZEADU-UHFFFAOYSA-N 428.529 4.656 30 10 IJEE CC(C)(C)c1ccc([C@@H](O)CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 1670182442 FPHRFWVCFYQUJO-FQEVSTJZSA-N 437.931 4.550 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1)[C@H]1CCCc2ccccc21 1670519843 JSBXKCXNMXZASP-JTSKRJEESA-N 432.499 4.968 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(Br)cc1 1676191195 NRELPGZTIAXJIB-HNNXBMFYSA-N 431.290 4.603 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccccc1 1680515887 VFAORCDYTJLEAX-ZCYQVOJMSA-N 432.495 4.996 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1681285798 VGCDXRVTEKGMCM-FUPPJEDESA-N 443.385 4.940 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1 1687036338 LMGWPFISWINODW-YADHBBJMSA-N 429.605 4.900 30 10 IJEE C#CCN(C(=O)NCCCCCCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1687072461 BYWWFIGOKBUAFC-UHFFFAOYSA-N 441.616 4.834 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCC=CO2)CC1 1690398708 FDJPTCLBAMGRIO-XXBNENTESA-N 438.572 4.912 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H](C)SC)CC1 1690406522 JHDIVJFDWQMXAV-QGZVFWFLSA-N 430.618 4.896 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccncc2Cl)CC1 1690415423 LGXZDDSFOYLSRS-UHFFFAOYSA-N 437.975 4.973 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690476877 SHXAXXBLZYQMTF-KXBFYZLASA-N 449.393 4.544 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@H](C)C1 1690499869 CTKQEXRKTMTPCK-DLBZAZTESA-N 432.659 4.666 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1cccs1)N(C)C 1690534669 GZNQLVFXXGHULH-LJQANCHMSA-N 427.643 4.865 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1oc2ccccc2c1OC 1690599214 PQLWXJKGBLIOQJ-UHFFFAOYSA-N 435.553 4.615 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1690687109 YTOSEMYDUOBBFX-MSOLQXFVSA-N 440.485 4.978 30 10 IJEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1692728057 BTYNBOCLHYTOSF-GAJHUEQPSA-N 444.986 4.600 30 10 IJEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1697868815 CAGLCTRIWXNQNX-RTBURBONSA-N 429.515 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(C)c1 1705700060 OGQREHUJRRJRBM-QPPBQGQZSA-N 447.583 4.583 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1cc(Cl)ccn1 1705723997 IRMXCIALVYIDAL-UHFFFAOYSA-N 432.753 4.969 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)c2c(C)noc2C)CC1 1705764914 SBBZHAYYHPGBSL-MRXNPFEDSA-N 437.544 4.527 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1705770228 WPPNYIAQDFTMIM-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1705780221 JRLMZDBMFAWHSN-UHFFFAOYSA-N 430.980 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705871101 XRVCMHGTHBPJAX-UHFFFAOYSA-N 443.979 4.644 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccs1 1706744024 IFAYKWANJWTKIE-CYBMUJFWSA-N 447.406 4.813 30 10 IJEE C#CCCCCn1c(N(C)c2ccc(C)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722321371 AUXFDVZLSKJGJL-BGYRXZFFSA-N 437.588 4.929 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722328509 RYTQITUXCDBJLP-UHFFFAOYSA-N 429.568 4.672 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(CC)(CC)SC 1722394824 HNNOTJVWOBQTGM-UHFFFAOYSA-N 446.624 4.720 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1 1722495415 RUAYFSSCDNBPOR-BDTNDASRSA-N 437.613 4.520 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](CC)C1 1722530287 CRHBJWGQOLFPAI-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](CCc2ccccc2)C1 1722586491 HGBSSDXPUDOIDU-JOCHJYFZSA-N 433.600 4.724 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2sccc2[C@H]1CC 1722598461 IDHSZVVOWUVMEN-GOSISDBHSA-N 436.585 4.857 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1Cc1cscc1C 1722661781 RJZAHRNOYLUCKC-QFIPXVFZSA-N 444.626 4.603 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CC(=O)Nc1c(C)cccc1C 1722674998 IGUIKUGTTGWTEJ-UHFFFAOYSA-N 435.572 4.659 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)C[C@H](C)CC 1722695538 GUSOCTBRODZGDJ-MRXNPFEDSA-N 441.576 4.597 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCC[C@H]1CSC 1722707902 CDMCKLAISGFAGV-NRFANRHFSA-N 426.630 4.956 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCSC1 1740556804 JJFYMTKJKBJINQ-HUUCEWRRSA-N 439.412 4.765 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1C(F)(F)F 1740561631 DOHASWIPALQCLP-SZVBFZGTSA-N 434.506 4.722 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1740575780 VZTSAACDFMNVSV-UHFFFAOYSA-N 449.624 4.794 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740584546 HRHVGZMEDLPNJN-PZJWPPBQSA-N 448.571 4.524 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](c1cccnc1)C(C)C 1740600018 HMVXXAPHOALBDS-XMSQKQJNSA-N 437.975 4.976 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1nc(C)cs1 1740631171 IGZZDMWKVQYVFP-GHTZIAJQSA-N 447.608 4.676 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCCCO1 1740658297 HCIDIQNKDCGUBY-QHCPKHFHSA-N 448.611 4.577 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1740673247 MLUWZSAZMVUDSV-GMAHTHKFSA-N 447.652 4.691 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1740780378 MJWNGWSNRMBYLD-ZWKOTPCHSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740860566 IFKKLNCKVPYFIR-IBGZPJMESA-N 444.023 4.644 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(N2CCCCCC2)nc1 1740904333 HLLXTGBCCZNHMT-UHFFFAOYSA-N 446.599 4.611 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCCCC1)C1CC1 1740906824 LUUUYSAVFAWICM-UHFFFAOYSA-N 429.996 4.638 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCc1ccsc1 1740915238 YZPRKSPUYKRTPM-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CSCCS1 1740918608 MVXWCUIJSFRGEN-LJQANCHMSA-N 426.611 4.888 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCCC1 1740924877 FVXZJXJYRQWVRW-UHFFFAOYSA-N 435.597 4.861 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCS1 1740937406 YGZCRFYDCXEHLO-NRFANRHFSA-N 426.561 4.732 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(OC)CCCC1 1740938308 CBNGEZONBYSYGQ-UHFFFAOYSA-N 426.605 4.841 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)nc1 1740939467 XLBGCQLMGXEDSN-KRWDZBQOSA-N 437.613 4.522 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C[C@@H]1CCOC1)C1CC1 1740942854 NOTNBTVQXAONRD-MSOLQXFVSA-N 430.980 4.880 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1 1746612003 HCOMZEHXIPSFTD-UHFFFAOYSA-N 425.577 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc2c(s1)C[C@@H](C)CC2 1748654070 DTHFVVSJXCVHOT-KBPBESRZSA-N 443.979 4.825 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1ccc(Cl)s1 1748662442 WQRSAZNCYIVWTI-MRXNPFEDSA-N 436.972 4.546 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(N(C)C)CCCC1 1748684545 LHRWFVUSZBLURT-NRFANRHFSA-N 437.632 4.621 30 10 IJEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1748930874 BONAVLDUAJGKCD-SAABIXHNSA-N 425.989 4.865 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H](C)CN1CCCC1 1748946996 WNOANWXHWQWBIX-NRFANRHFSA-N 437.607 4.522 30 10 IJEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCC(C(F)(F)F)CC1 1748975947 GINMREFQIHBTQQ-GTPINHCMSA-N 435.494 4.918 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1749046732 DUDRTVJNLQPNAN-FCHUYYIVSA-N 438.641 4.802 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H](C)Oc1ccc(Cl)cc1 1749066726 NFMAICHNQWACKA-XTQVGHSUSA-N 428.964 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)[C@H](C)C1CCC1 1749134013 SYBBEGNPIAGINC-PERKRYKHSA-N 429.634 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1cccnc1OCC(F)(F)F 1749149915 IXSIWCLZCRKYJS-UHFFFAOYSA-N 449.452 4.871 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCCn1ccnc1C 1749152694 CUGPPBOEYOGROY-UHFFFAOYSA-N 431.588 4.825 30 10 IJEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1749276514 KDAMJJAFKMLBGV-UHFFFAOYSA-N 443.979 4.893 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2OCCC2(C)C)CC1 1749293416 MOEAIIZKMDEFBI-HNNXBMFYSA-N 437.407 4.741 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@](C)(O)CCC(C)C)CC1 1749348579 SCKHYDWTOREYCX-AREMUKBSSA-N 435.616 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749357124 JWFQAEROESMSCE-ZIAGYGMSSA-N 439.423 4.985 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749414495 FDFDIYXTLAKNEA-IBGZPJMESA-N 437.613 4.865 30 10 IJEE C=CCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1749426736 GNRSFQSOMHSSSF-AEFFLSMTSA-N 437.357 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cccc(COC)c1 1749551276 UWRWNVLIFOVUPP-UHFFFAOYSA-N 431.565 4.789 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCc1nccnc1C 1749586982 DBVPSDJCVTYDNC-UHFFFAOYSA-N 448.958 4.768 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1749750772 CKCYWTVUCGQTGV-IBGZPJMESA-N 439.585 4.551 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1csc(CC)n1 1760101622 TWNFOCGGEJUFJN-QGZVFWFLSA-N 430.581 4.521 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1760162705 DXCMLJPKNFOEQK-PKOBYXMFSA-N 430.980 4.573 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)cc1 1760302851 RRWPFMKESGCZLC-UHFFFAOYSA-N 448.752 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760321008 AINIQWUJSYEROM-MIVHDCIWSA-N 430.543 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC=CCC1 1760330567 HRHSSVPXGROYLU-GOSISDBHSA-N 426.561 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1760339963 DAUJFFVZYASNIF-JJQOCIJLSA-N 430.637 4.540 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)C1 1760351491 HTZFRKSOHGVEGU-WZONZLPQSA-N 448.995 4.670 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(C)C)C1)c1ccccc1 1760420678 TZHDJIDTUKPMLE-ZJZGAYNASA-N 438.616 4.844 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1760442765 IBPMWEZIJVHEBW-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1760466876 MJAFLZSKXLKEPG-UTKZUKDTSA-N 432.996 4.974 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@H](C)C1 1760486093 CISUEKTUSKAMFU-RTBURBONSA-N 425.602 4.743 30 10 IJEE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3C)cc2)cc1 1772733733 JTPWRUAFLYJHBL-DOKFEVDCSA-N 445.544 4.943 30 10 IJEE CN(C)c1ccc(/C=C2/SC(=NN=Cc3ccccc3O)N(Cc3ccco3)C2=O)cc1 1772757545 QEYGCXXBPHYFLB-HWVQBVCISA-N 446.532 4.558 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(OCC)c2)cc1 1862393132 OKWMOTAGNSSRAU-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(O)cc2)cc1 1862430256 GUWXIPZSOAOINU-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862445830 FAGFLYUIKJWVIN-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862452690 IOZVXDPGMVWZMM-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862476949 QUFYUEATCNPXQX-XMMPIXPASA-N 445.490 4.964 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862495502 OHFYSYUGAMHXIG-NRFANRHFSA-N 438.480 4.542 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(O)cc2)cc1 1862529152 BWCBSOYUKVBNCL-QFIPXVFZSA-N 433.529 4.837 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)ccc1O 1862594519 UZYBLNUFFOXUCX-QHCPKHFHSA-N 449.503 4.575 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(F)cc2)cc1 1862686758 AYLWTASGGHHTOY-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3ccccc3[N+](=O)[O-])C2=O)c1 1862864599 HIPFNWPTCJWTCG-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE CC(C)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863368302 PKOWBZISCJEAPC-UHFFFAOYSA-N 437.499 4.738 30 10 IJEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)CCCN(Cc1ccccc1)Cc1ccccc1 1866347476 QRRCFYYCNJZUQS-JOCHJYFZSA-N 426.564 4.746 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1OC 1868119486 SAIJWAQFNDDNMI-HHHXNRCGSA-N 429.516 4.813 30 10 IJEE Cc1ccc(CC(=O)Nc2c(C#N)nnn2Cc2c(Cl)ccc(Cl)c2Cl)cc1 1870110595 ZITHKOOOTXRTLG-UHFFFAOYSA-N 434.714 4.648 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)/C=C\c1ccc(Cl)cc1 1870140757 IECMXLPSPDWSNF-WTKPLQERSA-N 442.704 4.515 30 10 IJEE CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)cc1 1870145817 QNZHINSGUQEELN-ZDUSSCGKSA-N 444.322 4.975 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1CCCOC(C)C 1870344304 LGCMYFTZFIXHOQ-UHFFFAOYSA-N 428.548 4.556 30 10 IJEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN1CCC[C@@H](C)C1 1870593057 DFTLCIZKLIDHFZ-OAQYLSRUSA-N 432.564 4.877 30 10 IJEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1ccc(Br)cc1 1870894823 PPSXJOGYADHNFG-UHFFFAOYSA-N 425.326 4.988 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1cccc(C)c1C 1871173548 HAKKJORHEDFPND-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)cc1F 1871254366 SZWROTHSLSTZES-UHFFFAOYSA-N 443.478 5.000 30 10 IJEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871364245 MPHRHHZSFWXXQM-MTJSOVHGSA-N 431.400 4.504 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2cc(OCCCN(C)C)cc(C)c2C1=O 1871451829 PAOHPXBLYCMFDY-NDENLUEZSA-N 446.341 4.713 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)c1 1871453864 VOHDSRKDMXVUFQ-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCC(N(C)C)CC2)n1 1871476610 XUZJHNAHOISELW-UHFFFAOYSA-N 439.652 4.648 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2)nc(Nc2ccc(OC(C)C)cc2)[nH]1 1871722181 VGCJZBGVFLLYJD-UHFFFAOYSA-N 430.556 4.615 30 10 IJEE CCCCCCCCN=c1[nH]c(=NCCCCCCCC)[nH]c(=NCc2cccnc2)[nH]1 1871742874 MIKZLGHGVYNKSC-UHFFFAOYSA-N 441.668 4.689 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872305066 VZYUAVLZGXQLKK-FQEVSTJZSA-N 434.989 4.859 30 10 IJEE CC(C)C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872766579 LWZHRFZOWMCALV-CTNGQTDRSA-N 443.528 4.697 30 10 IJEE C=CCNC(=O)c1ccc2nc(CCCOc3ccc(CC)cc3Br)[nH]c2c1 1872802584 MPINKJBVDZPQPC-UHFFFAOYSA-N 442.357 4.815 30 10 IJEE N#Cc1ccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(C3CCCC3)C2=O)cc1 1873338058 CZJMVYHOHCRXGE-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641989 XDFSXCRLANPHSJ-UHFFFAOYSA-N 437.507 4.666 30 10 IJEE CCOc1cc(/C=N/n2c(CCCOc3ccc(C)cc3)nnc2SCC)ccc1O 1874252604 QFEXOQZPULRQAP-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874276273 DBCMCINORADNKY-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)cc1 1874307092 FULKWEUUFSHIEH-XIEYBQDHSA-N 432.549 4.882 30 10 IJEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccncc1 1874315908 RKPUCQLROMBTHQ-WPWMEQJKSA-N 447.539 4.998 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874353496 MUBHINYKOBQAEY-CIAFOILYSA-N 431.359 4.752 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)c1 1874441584 CQUAJGHAOSIXNH-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1OC 1874461519 QVVVZGOLMGIAFJ-ZMOGYAJESA-N 436.459 4.531 30 10 IJEE CCc1ccc(OCCCc2nnc(S)n2/N=C/c2ccc(Br)cc2)cc1 1874568110 HQKANEXXIXLBHI-HYARGMPZSA-N 445.386 4.786 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1 1874575997 RQVYXUKZKRIKOR-DTQAZKPQSA-N 431.488 4.926 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCc3nc(O)c4ccccc4n3)c2)cc1 1874594838 GHEXHPGUZAMBIB-NTUHNPAUSA-N 442.471 4.828 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OCCCO 1874631009 FYZPDIDKPGNSEZ-CMDGGOBGSA-N 446.927 4.752 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3noc4ccc(Cl)cc34)cc21 1890035217 SMTBDCFWPDBRES-UHFFFAOYSA-N 439.899 4.600 30 10 IJEE Cc1cc(Br)cc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c1 1891059834 CXJMZBWEPRTXCV-UHFFFAOYSA-N 426.232 4.589 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1891351022 CHZOXGNEPAKUQT-UHFFFAOYSA-N 435.446 4.635 30 10 IJEE CN(CC1CCN(C(=O)c2c(F)c(F)cc(F)c2F)CC1)c1cc(C(F)(F)F)ccn1 1891827241 YLTRWIXNGNARBH-UHFFFAOYSA-N 449.370 4.645 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(c3cc(Br)c(C#N)cc3F)C[C@H]2C1 1965552683 NRFCJJHBEMTJTB-ZFWWWQNUSA-N 438.341 4.543 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2002864646 LTXMQJZCAICQPI-VXKWHMMOSA-N 432.605 4.542 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 2020331707 HJACDBLVZRHXMT-UHFFFAOYSA-N 431.577 4.545 30 10 IJEE C#CCN1C(=O)NC(=N)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071354065 JFILQPXWZFOMJJ-XMMPIXPASA-N 425.488 4.521 30 10 IJEE CCc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079102018 YTWIRHAFZAHECD-ORWNMUSCSA-N 449.336 4.909 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 2145527837 CNCAMRJLUVGMHG-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE C[C@]1(C(F)(F)F)CSC(=NCc2cc(Br)ccc2Br)N1 2161363876 ASFZJLDXJANBND-LLVKDONJSA-N 432.103 4.725 30 10 IJEE COc1cc(N=C2N[C@](C)(C(F)F)CS2)c(Br)cc1Br 2161367909 SNPPUUPGKILUAE-LBPRGKRZSA-N 430.112 4.568 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2cc(Br)cc(C#N)c2)C1 2174808429 NXYBVQRUYCWOOO-HNNXBMFYSA-N 444.320 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(Oc3cc(Br)cnc3C#N)CC2)C1 2198826917 GPDAYUJJARFKKG-UHFFFAOYSA-N 436.350 4.664 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@@H](O)C#Cc1ccccc1Br)Cc1ccccc1 2209724772 RDUNDEPXQVCCND-FQEVSTJZSA-N 444.369 4.989 30 10 IJEE CC[C@@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccccc1Br)C(F)(F)F 2227477556 XFXDVHPVKWDMRZ-QGZVFWFLSA-N 434.252 4.606 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)C#Cc1ccccc1Br 2235719667 BCRAFFWJXHXASE-ZWKOTPCHSA-N 434.374 4.899 30 10 IJEE C#CC[C@@H](C[C@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237415058 LZHMWNGSDOCJEA-VDGAXYAQSA-N 436.390 4.685 30 10 IJEE CC1(C)OB(c2cc(NCc3ccccc3OCc3ccccc3)ccc2N)OC1(C)C 2267827531 VYWXFCBYKOQVDH-UHFFFAOYSA-N 430.357 4.759 30 10 IJEE C#CCN(C[C@H](NCCC)c1cc(F)cc(Br)c1F)C(=O)OC(C)(C)C 2272739387 LZHPZDHRYYHJLV-INIZCTEOSA-N 431.321 4.638 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2278271982 NGUWBMRWPJRFKB-BBRMVZONSA-N 445.423 4.867 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Br)cc2C#N)[C@H](C(F)(F)F)C1 2281177523 FSGQJOIJZYCBLP-HIFRSBDPSA-N 448.283 4.745 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1c1c(Br)cccc1C#N 2285217185 QYKXKFGTHZURCW-KRWDZBQOSA-N 448.283 4.747 30 10 IJEE N#C[C@H](C(=O)c1cccc(I)c1)c1ccc(Br)c(F)c1 2287144404 WPGKIAMKNRKDLG-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 2296267606 VNCUJXAADUAHPO-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296296148 KOPMHLMHPKLWIG-BHIYHBOVSA-N 435.406 4.718 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2306617145 JILPDEAAQTWHPB-JWQCQUIFSA-N 428.573 4.699 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 2314478567 UPDQHEJYTDJNNU-RUZDIDTESA-N 425.484 4.873 30 10 IJEE Cc1cc(Sc2cc(I)ccc2Br)cc(C#N)n1 2316384716 NWZWDOUWADNHGP-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE CC[C@H](C)N1COc2ccc3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322088891 FABORNQWDLTUGU-ZDUSSCGKSA-N 427.884 4.773 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c1 2323186741 AGBCTXLKOJXPBT-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2325382894 YBYJYZRLRJINQN-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCCN4CCCCC4)c3C)C1=O)cn2C 2325701480 VWMKRTIHDKIFLU-UHFFFAOYSA-N 446.547 4.976 30 10 IJEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326414670 YUIFTFLXZNCQQA-UHFFFAOYSA-N 439.541 4.939 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1cccc(O)c1 2326461002 NHGUYYQOVDIJMH-UHFFFAOYSA-N 436.537 4.678 30 10 IJEE COc1ccccc1CCc1nnc(SCCCO)n1N=Cc1ccc(C(C)C)cc1 2328704026 XRDDQZDWBBICRZ-UHFFFAOYSA-N 438.597 4.552 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccco2)cc1 2329818951 PVVNNFGGKMAJHT-UHFFFAOYSA-N 449.511 4.522 30 10 IJEE COCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC 2330805559 OWILKZXVFWVFCI-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE C=CCSc1nnc(CC(C)(C)C)n1N=Cc1cc(Br)c(O)c(OC)c1 2330855616 LDPRAVBTYCZNCY-UHFFFAOYSA-N 439.379 4.504 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccs2)c1C 2331430776 YEPFMFHDHABFDV-UHFFFAOYSA-N 427.599 4.768 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccc(F)c2)c1C 2331489708 ADYZKPLOZMFWJP-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE Cc1cc(CNC2CC3(C2)CC(OCc2ccccc2)C3)ccc1B1OC(C)(C)C(C)(C)O1 2369636134 ZTSFLVLEHBNROE-UHFFFAOYSA-N 447.428 4.912 30 10 IJEE CC1(C)C[C@](Nc2ccc(C#N)cc2Br)(C(=O)O)[C@@H]1OCc1ccccc1 2378747846 IQLVUMFIAHNJIF-WIYYLYMNSA-N 429.314 4.571 30 10 IJEE CCc1cccc[n+]1/C(C(=O)c1ccc(C(C)(C)C)cc1)=C(/S)NC[C@@H]1CCCO1 22691278 OGICLUHHROLOCC-NRFANRHFSA-O 425.618 4.541 30 10 IJEE COc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCCCC4)[nH]c2c1 59060504 ZQYMWNSAHYVUCE-UHFFFAOYSA-N 426.567 4.894 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 59792158 PWXCEMSYNOHXLQ-UHFFFAOYSA-N 443.916 4.814 30 10 IJEE C=CCOc1ccc(C(=O)NCc2ccc(OCCC)c(OC)c2)cc1Br 66184762 XRFXYMPNJCFWMQ-UHFFFAOYSA-N 434.330 4.741 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 102540349 YYBVXZPROMUFEI-FXTOLZDNSA-N 449.547 4.593 30 10 IJEE CCN/C(=N\Cc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 105616239 LRVNZTJAECQOMH-QGZVFWFLSA-N 436.364 4.524 30 10 IJEE Cc1nc(NC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)sc1SCC#N 107899460 BDHWWTCMXFETJH-CMDGGOBGSA-N 427.530 4.661 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 164491734 USDFLIBGQYGLER-FMIVXFBMSA-N 447.487 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 169956778 SUKDXUDKVSMIGT-DEOSSOPVSA-N 448.563 4.981 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170030548 MDBXTQSOIPXJIG-AUSIDOKSSA-N 447.487 4.589 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc3ccccc23)cc1 170044756 WWLMYYUFMFHANH-YKSBVNFPSA-N 427.500 4.906 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(F)cc2)cc1 170062251 LHDXSLPTKUQNCX-IBGZPJMESA-N 438.480 4.691 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(O)cc1 170136001 WANQVYVKACNRHL-JOCHJYFZSA-N 437.536 4.613 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(N(CC)CC)cc1 170138882 ZOOZIOHLCVLIAE-OSPHWJPCSA-N 448.563 4.845 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccnc1 170189712 ZABVUEXXVKIVFS-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)c(OCC)c1 170230406 DFNQKJAZMBJNLD-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170260698 KQLVTPMZSQWTCK-HSZRJFAPSA-N 425.440 4.917 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccco2)cc1 170281382 COMNGAVXWHOFGT-QFIPXVFZSA-N 447.443 4.578 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2ccc(C)o2)c1 170300382 LNWTZHRCLKFZSM-QHCPKHFHSA-N 444.487 4.508 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1sccc1C 170313178 CVTSZKCEYVHKAM-IBGZPJMESA-N 443.565 4.685 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2sccc2C)cc1Cl 170313223 GJVDVMFMNRBDCI-GOSISDBHSA-N 449.956 4.722 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2sccc2C)cc1C 170316063 CUXGXHCLHZSMGT-YLJYHZDGSA-N 441.549 4.521 30 10 IJEE CC(=N/N=C1/N=C(O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccccc1 254307455 DZIYYRAVMRZDTD-INIZCTEOSA-N 434.443 4.886 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254697264 QBOQVBFKAHTQAB-UHFFFAOYSA-N 444.512 4.680 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)c2cccc(OCc3cscn3)c2)c1C#N 445566581 YXULFGLGEWGCBT-UHFFFAOYSA-N 447.545 4.754 30 10 IJEE COc1ccc(Cn2cnc(-c3ccc(Cl)cc3)c2NC(=O)CCCC#N)cc1OC 464460029 UTEZUIFMKTVFPY-UHFFFAOYSA-N 438.915 4.901 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 474175548 KQMKGJXPDSPYCS-WMZOPIPTSA-N 439.396 4.853 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@]2(C1)OCc1ccccc12 508475000 XJHYYEXVPWDCJF-IQGLISFBSA-N 434.515 4.769 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526809529 HIRZQYADRUHDBY-CFRMEGHHSA-N 440.569 4.658 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 526823161 GIWLFIXDBANHBD-WNFQYIGGSA-N 438.296 4.676 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(OCC)c1 526825171 MOMOBVXSLNYDFK-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CC(=O)N(c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)[C@H]1C[C@H]1C 569731141 ZFJJBXUBOBJRPC-MWTRTKDXSA-N 426.476 4.759 30 10 IJEE CCOc1ccc([C@H](O)C[C@@H]2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 606657328 OAVODPVNABZKCN-CVEARBPZSA-N 425.337 4.735 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 609356614 PXTMSELIMMQGDI-FRGLQRNOSA-N 431.536 4.534 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1 610320045 OKUNZLSWEUYVCM-JOCHJYFZSA-N 438.491 4.585 30 10 IJEE CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(C)c(Cl)c3)S2)cc1 725410273 WGOUJWFHCCEGJN-GOSISDBHSA-N 431.945 4.637 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731831568 KVPQPXWKOCUQEE-PKTZIBPZSA-N 426.944 4.587 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(Br)ccc1Br 734204464 HVQKNUXKGDBLCU-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE CN(CCOc1ccc(Cl)cc1)C(=O)CSCc1cc(Cl)ccc1OCC#N 735317616 DEVNULRZFISPPB-UHFFFAOYSA-N 439.364 4.666 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CCCN3c3ncnc4ccccc34)c2)s1 750778710 HWVHXADEOXBBIU-QFIPXVFZSA-N 439.544 4.515 30 10 IJEE COc1ccc(-c2nc(SCc3sc(C)nc3C(F)(F)F)nc(O)c2C#N)cc1 758853369 KHZRVNKCUAQONK-UHFFFAOYSA-N 438.456 4.806 30 10 IJEE CC(C)(C)c1cc[n+](/C(C(=S)NC[C@@H]2CCCCO2)=C(/O)c2ccc(C#N)cc2)cc1 762438496 HKSFNFZUKJEYHC-NRFANRHFSA-O 436.601 4.513 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(O)(c2ccccc2)CC1 802576508 UHPFIZRDEBXBAH-ZEQRLZLVSA-N 444.579 4.587 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC(C)(C)[C@@H]2c2ccncc2)c1=S 814229785 DNVILTUAKADQNF-QFIPXVFZSA-N 435.597 4.923 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1 1084456274 DESLNJICVYIJEK-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE C=CCN(C(=O)c1cc(CN(C)C)on1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1124485498 FLSXEYHUSQSYIV-UHFFFAOYSA-N 437.352 4.999 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C(F)(F)F)cc1 1128969233 YNGUDSPXOVOFFN-DEOSSOPVSA-N 435.401 4.983 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 1129588615 KIRZDQHNEXRJRO-JOCHJYFZSA-N 443.341 4.647 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 1131264357 DBXZPUOOOPVHKY-HXUWFJFHSA-N 442.357 4.555 30 10 IJEE C#CCO[C@H](C)C(=O)N(C)Cc1ccccc1Oc1ccc(Cl)cc1Br 1133217676 QNJXPVFVVVNFKG-CQSZACIVSA-N 436.733 4.892 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)Cc1ccc(C)s1 1141314253 IFYUZJXXULXMNF-QFIPXVFZSA-N 440.609 4.935 30 10 IJEE COc1ccc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1Br 1166836662 BEZXKWJEDANWPU-SHYRYGCCSA-N 425.392 4.869 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1201298746 PUKBRJSZKZGPPM-JOCHJYFZSA-N 449.551 4.820 30 10 IJEE C=C(C)c1cccc(NC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c1 1210299248 CLOKYAPFIAQTRJ-RDJZCZTQSA-N 427.467 4.887 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1215091474 DNXQJYVDMGPJOZ-CVDCTZTESA-N 425.504 4.849 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F 1229989938 PCCDBJBXELWQHQ-OXQOHEQNSA-N 426.866 4.577 30 10 IJEE C=CCCC1(CNC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)CCCC1 1279011440 OTUJSCPMQWEOBN-UHFFFAOYSA-N 426.601 4.951 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCOC1CCCCC1 1286289399 LYYXGCAQLKAOHZ-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nccs1 1286527320 IKQJIQXZTUGKON-XMMPIXPASA-N 435.597 4.652 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cccc(C#N)c1 1286587305 GYHSAMDEHKCCPF-UHFFFAOYSA-N 428.359 4.853 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286678011 NZBABNLAWOCRKD-NHCUHLMSSA-N 439.604 4.865 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1286739933 UUBFAVIBJHFUHN-OAHLLOKOSA-N 425.508 4.560 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCC[C@H]1CCCCO1 1286742623 RDXQSZMYOSHNOK-DNQXCXABSA-N 449.599 4.933 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@@H]2C)C1 1290996455 GWHPILMRSSKQNV-WOZUAGRISA-N 434.632 4.808 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1300348913 ODVFEVOPOFWMQQ-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1300490724 HEVVVHSAULPQBV-SXGZJXTBSA-N 437.441 4.689 30 10 IJEE C=C(C)Cn1c(N(CCNC(C)=O)Cc2ccsc2)nnc1C1(c2ccccc2)CCC1 1300965036 COQQLNCTDDSFRE-UHFFFAOYSA-N 449.624 4.528 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1301088600 BNOPILFKAKWXMT-NRFANRHFSA-N 429.559 4.748 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCc1sc(C)nc1C 1301359950 SCLQRDZTEXPKLK-UHFFFAOYSA-N 436.610 4.910 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccccc1N1CCCCC1 1301414546 DXRJIVKMBPUQSB-UHFFFAOYSA-N 435.572 4.524 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1301470240 UIOFVCGENAYMNW-JOCHJYFZSA-N 437.632 4.698 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCOC2CCCCCC2)C1 1301553339 KGSAMWBMWKCUJB-FQEVSTJZSA-N 428.552 4.605 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1301594661 IIXVAHGSBBEUJN-KRWDZBQOSA-N 430.593 4.949 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1301615938 YVXLVPMCBLVGMG-IBGZPJMESA-N 428.602 4.983 30 10 IJEE CC(C)(C)CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(C)(C)C 1307648943 CUIRGTJGKSILJK-LJQANCHMSA-N 442.648 4.750 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](CO)c2ccccc2OC(F)(F)F)cc1OC 1308391479 DQNJTYUKQPSDEN-MRXNPFEDSA-N 431.838 4.635 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N[C@]1(C)CN(Cc2ccccc2)C[C@H]1c1ccccc1 1310211238 CJELOQCTZAZXOJ-WNCULLNHSA-N 440.547 4.747 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1C#N 1310458083 BSWDWNJJNCVGTA-GOSISDBHSA-N 449.555 4.680 30 10 IJEE COCCN(Cc1cccs1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1310721679 DFHVOCWTMUVISN-UHFFFAOYSA-N 437.569 4.783 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 1311999805 BSOVCGMLTUILRJ-UHFFFAOYSA-N 445.894 4.910 30 10 IJEE Cc1cccc(-n2cc(C(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)nn2)c1 1350075857 CGMAEMOFHYKMBD-UHFFFAOYSA-N 425.467 4.742 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 1358006897 HOLXNZAEAHIJDT-UHFFFAOYSA-N 427.529 4.867 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](c1cccnc1)C(C)C 1359012237 DGJSDCVWFKMDHC-QHCPKHFHSA-N 426.568 4.575 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1359079325 GGUPJAPGPJNEHU-HXUWFJFHSA-N 445.405 4.812 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)C1CCC(C)CC1 1359100818 GSVFNVJCOBDGFM-KXBVSRLSSA-N 438.616 4.874 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCOCc2ccccc2)CC1 1359166674 CIOSCUDHPPILKX-UHFFFAOYSA-N 437.613 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1359190053 CNNUJCGSQZTGHY-DEOSSOPVSA-N 440.588 4.770 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1359251972 ADDDUKRUTJKAJP-UHFFFAOYSA-N 427.474 4.794 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCCCS2)C1 1359316159 JGFQCQLNEHYDPQ-SJORKVTESA-N 436.984 4.805 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2cc(Cl)c(I)cc2OC)c1 1359803592 LRUYMGCRJXESNV-UHFFFAOYSA-N 439.680 4.601 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCCCC2)cc1OC 1360283470 OOSFRMGOIWRJJP-FYWRMAATSA-N 434.580 4.966 30 10 IJEE C#CCN(C(=O)CSc1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1360551880 CAZLKUAZXCEAKN-IBGZPJMESA-N 430.367 4.835 30 10 IJEE C#CCN(C(=O)c1ccc(C(C)(C)C)cn1)[C@@H]1CCOc2ccc(Br)cc21 1435176889 YXEKQHWNHUYJIR-LJQANCHMSA-N 427.342 4.741 30 10 IJEE C=CC[C@@]1(C(=O)O[C@@H]2CCCc3cc(C(=O)OC)ccc32)CCCN1C(=O)OC(C)(C)C 1436466408 ICXDVJIGURHYKD-NLFFAJNJSA-N 443.540 4.740 30 10 IJEE CC#CC[C@@H](CO)NC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1 1452867712 YCYLZLHYBHZMSY-ZRZWOPFXSA-N 431.557 4.758 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)Cc1ccc(F)cc1 1459403018 DVEUUGRPAWCOFT-XMMPIXPASA-N 429.495 4.540 30 10 IJEE CS(C)(=O)=NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1460299651 AXNAHDCPTFVULX-UHFFFAOYSA-N 447.516 4.665 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C)C(C)C 1464868161 DVPDTMSYVSBRSP-LJQANCHMSA-N 434.506 4.832 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(-c3ccc(OC(C)C)cc3)cc2F)C1=O 1466734912 MCDZNSKGNWSZGK-JOCHJYFZSA-N 425.504 4.531 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)CCCC1(C)C 1466768299 QWVSDFNECQVJSD-OAQYLSRUSA-N 440.519 4.971 30 10 IJEE C=CCC1(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)CCCC1 1467990579 GKPDNQVNRDCSEP-UHFFFAOYSA-N 430.545 4.801 30 10 IJEE C#CCOc1ccc(CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 1468165896 XFIOMIHFVVIRLV-JOCHJYFZSA-N 436.552 4.607 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 1473352042 BTSCHIILFPVYDT-RTWAWAEBSA-N 430.777 4.972 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2ccc(OC(F)F)c(Br)c2)cc1 1474008479 YHRKEBWTTVAXNO-UHFFFAOYSA-N 426.261 4.970 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@](C)(O)C2CCCCC2)cc1OCC 1474111773 IRVGUAHVHGILHL-OAQYLSRUSA-N 426.395 4.834 30 10 IJEE C=CCNC(=O)c1ccc(NCc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 1474171607 CVFSLFDVSOYGSY-UHFFFAOYSA-N 427.570 4.569 30 10 IJEE C#CCOc1cccc(NC(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)c1 1476151020 SFXSCRORVFWWJC-RUZDIDTESA-N 431.580 4.853 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@](C)(O)c1cccs1 1496396734 ICXFECQHROBICC-OFVILXPXSA-N 449.624 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[C@H]1C 1507521809 QJKQRIMIMSTLTB-OWCLPIDISA-N 431.378 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1ccc(OC(F)(F)F)cc1 1507540724 IGFVNEFDVOLNNE-OAHLLOKOSA-N 434.487 4.530 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507921677 XIMQKKOVZXKEAV-FCHUYYIVSA-N 429.653 4.824 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1507932704 YUEGTNUWSQCLCO-UHFFFAOYSA-N 441.526 4.966 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1507945732 FDXKFXJWBAZPQW-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCCCn1c(N2CCc3sccc3[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1507953528 KBJJXVVTPWWTBI-AUSIDOKSSA-N 430.618 4.860 30 10 IJEE C=CCn1cc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2ccc(Br)cc2)nn1 1516738353 YNOPIAOSPCLFBD-IBGZPJMESA-N 445.748 4.742 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(Br)cc(I)c1C 1527068475 FKRUOMOHRFDSSG-UHFFFAOYSA-N 436.131 4.694 30 10 IJEE C#C[C@@H](NC(=O)c1nc(Br)sc1C1CC1)c1ccc(Br)cc1 1528088465 ODKPPMIXVXNMRW-GFCCVEGCSA-N 440.160 4.650 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)s1 1529308568 IHFQDJITWTUOLU-SJCJKPOMSA-N 445.050 4.807 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(I)c(F)cc1F)c1ccc(F)c(F)c1 1538996244 MZQCTODWTOOVGV-INIZCTEOSA-N 449.185 4.895 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1cccc(O)c1 1539049376 MWTFHNFSPUHXAF-OAHLLOKOSA-N 442.361 4.742 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2nc(C)no2)CC1 1539056269 WIVFLWUBBARUHH-UHFFFAOYSA-N 442.926 4.617 30 10 IJEE C=CCOc1ccc(OC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1539140271 BXZCDNQTXHDINR-RGEXLXHISA-N 443.521 4.587 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1539318821 YTZWKFXXTFAHLL-VQTJNVASSA-N 448.464 4.604 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCC(C)CC1 1539352402 XVFFPHNHZGLRPV-UHFFFAOYSA-N 434.415 4.833 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCC1(C)C 1539397145 YUSRUTNAKOUAFI-VXKWHMMOSA-N 438.616 4.947 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1539606476 GLYCNXILCSEREU-QGZVFWFLSA-N 425.415 4.703 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539701234 AYJZKQUCRQUSAJ-IECBHUPTSA-N 429.609 4.738 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CCC(F)(F)F)CC1CC1 1539779878 IACAPTPRTRIDRM-UHFFFAOYSA-N 444.885 4.884 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1539811082 ANWHHZHAZUKCEE-WQIZZMQYSA-N 435.018 4.618 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1539836101 NUPVIBZTNBUWBA-SFTDATJTSA-N 437.632 4.867 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(COC)CCCCC2)CC1 1539840193 NITCTQLVOXZQNK-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1539871355 MDNLULUACRMEAN-GOSISDBHSA-N 444.530 4.543 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2csc(C(C)(C)C)n2)CC1 1539888581 RMWPXGMOYINGFP-GOSISDBHSA-N 429.634 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1539921266 TXNYSLBAAYMECL-OAQYLSRUSA-N 436.579 4.957 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3cccnc3)c3cc(C)ccc3Cl)cc2C1=O 1540011524 CGAAGERBYAZMLB-UHFFFAOYSA-N 445.906 4.672 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN(C(=O)OC(C)(C)C)C1CC1 1540057765 HGCNERYMXICGHC-UHFFFAOYSA-N 449.958 4.759 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C1CCCCC1)N(C)C)C1CC1 1540098972 OMTIMULVDHMTBU-JOCHJYFZSA-N 438.576 4.519 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCCn1nc(C)cc1C 1540143378 WYAJQTXWZZWTPH-UHFFFAOYSA-N 447.612 4.806 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCCC1(C)C 1540155466 XAPJIVOSMZBHHV-MHECFPHRSA-N 428.552 4.677 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC(C)(C)N1CCCCC1 1540185027 JYDBNQFHESEVDI-UHFFFAOYSA-N 448.615 4.741 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2cccs2)cc1C 1542471790 FKGBXBJBMRLNBY-DEOSSOPVSA-N 435.597 4.908 30 10 IJEE C=CC[C@@]1(C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)CCCN1C(=O)OC(C)(C)C 1544426339 DVBONRUEBCFJCS-QHCPKHFHSA-N 438.515 4.584 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCSCC2)c(C)c1 1546197630 OCUSXCGPJABDPD-UHFFFAOYSA-N 434.565 4.551 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1546642475 IEPQZXDSIFWJEF-RTBURBONSA-N 438.595 4.739 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(SC)CCC1)[C@H]1CC[C@@H](C)C1 1555531410 ALQHCYBCFTZLEL-NQIIRXRSSA-N 439.629 4.744 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(OCCC)cc1 1561208763 OXPGOFVFLMFGJO-UHFFFAOYSA-N 442.350 4.754 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 1561576390 FUNDBOGOJBPVKU-QGZVFWFLSA-N 443.725 4.543 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C[C@@H](C)N1C 1562436825 DPVHMSBKVNGCCY-GASCZTMLSA-N 432.446 4.926 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 1583149599 MKQUSKCNRIVCMJ-JOCHJYFZSA-N 433.508 4.904 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1)c1ccc(Br)cc1 1584707727 DPKMTQIVNIUKJD-OAHLLOKOSA-N 446.194 4.756 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21)c1ccc(Br)cc1 1584709349 ZYNLJCRLRXKECK-DSLXNQLJSA-N 445.154 4.588 30 10 IJEE C#CCC1(C(=O)NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)CCCCC1 1586926305 XIUXMQGGDBPZRU-UHFFFAOYSA-N 435.564 4.915 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(OC)CCCCC1 1587561391 DUODCTRVGDICJP-QZTJIDSGSA-N 430.980 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCN(CCC)C(=O)OC(C)(C)C 1587609667 RCCFVBOLFNZFKC-KRWDZBQOSA-N 445.995 4.704 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)OC(C)(C)C1 1587723190 COSWFSXSWOWCTR-FQEVSTJZSA-N 448.567 4.924 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 1587810487 SCQZZRZFHRXHPM-SFHVURJKSA-N 427.426 4.873 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1c(F)cc(F)c(F)c1F 1587932113 LWXKVXRCJUIECE-GFCCVEGCSA-N 448.489 4.806 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](SC)C(C)(C)C)CC1 1594240919 CCXRQDMYPNVFLQ-RTWAWAEBSA-N 442.629 4.971 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1594460690 AHQYKOFQCWGPIW-VQTJNVASSA-N 425.533 4.603 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1)c1ccccc1 1594552236 JRXPHYFJVDGBSE-UPVQGACJSA-N 438.616 4.755 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=C(C(C)(C)C)CC1 1594583172 ZGZGCKYQXCUONG-UHFFFAOYSA-N 442.629 4.888 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)N1CCC(C)CC1 1594907376 VAQREFFHJYCRQF-SFHVURJKSA-N 446.437 4.759 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@H](C)C1 1595101193 ZPGDURUSNOIZDB-RDPSFJRHSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1cnn(CC(C)C)c1C 1595115759 MFVWIFYORPYHRG-XMMPIXPASA-N 448.615 4.922 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1595250893 LHLSQVQQEKYBAB-SFHVURJKSA-N 443.592 4.629 30 10 IJEE COc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3O)N(Cc3ccco3)C2=O)cc1 1615301647 DXMWZBJOGLDEOZ-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 1621679792 KIAAUESYNJUIGQ-UHFFFAOYSA-N 448.343 4.535 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 1621709778 FPQJJVOILXEZFO-HXUWFJFHSA-N 432.879 4.752 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1cc(Br)ccc1Cl)C(C)C 1628517482 UKXUNBZLOXMPAD-IBGZPJMESA-N 442.829 4.943 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)c1 1629928263 JMMXFVRXRJHENO-UHFFFAOYSA-N 439.298 4.863 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc2n(n1)CCC[C@@H]2O)c1ccc(C)c(C)c1 1633066017 IFBOILIDBZCICJ-DEOSSOPVSA-N 431.536 4.739 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(F)cc1Br 1634693525 YMQFFAWANYREJI-OAHLLOKOSA-N 449.748 4.583 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1 1635361647 VQGPVQOCTLHGCC-UHFFFAOYSA-N 427.342 4.568 30 10 IJEE C=CCC[C@@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1 1636926119 LLBSTOUKHJBJJA-GOSISDBHSA-N 426.385 4.537 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(Cc3c(F)cccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1637867939 RNOANEQHWOGQJV-RUZDIDTESA-N 446.538 4.539 30 10 IJEE CC(=O)c1cc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)c(C)nc1C 1644726626 JSVFWOGIUDXXPW-UHFFFAOYSA-N 444.340 4.606 30 10 IJEE C=CCn1c(SCC(=O)COc2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 1652365755 JMQLIRUOXYHUER-UHFFFAOYSA-N 435.332 4.630 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2ccc(C#N)c(C)c2)cc1 1652911697 FEIHAYHFMYSFCK-UHFFFAOYSA-N 430.533 4.885 30 10 IJEE C=CC[C@@H]1N(CC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)CCCC1(C)C 1653460027 QGWRAGBSFYTGIL-DEOSSOPVSA-N 436.596 4.976 30 10 IJEE C=CCn1c(SCc2ccc(I)cc2)nc2sccc2c1=O 1656076158 GSRBDHBWBLWOHC-UHFFFAOYSA-N 440.331 4.541 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1658744009 HLGRVNQUDCCAPQ-UYAOXDASSA-N 442.560 4.600 30 10 IJEE N#Cc1ccc(NC(=O)N2CCOc3ccc(Br)cc3C2)cc1C(F)(F)F 1659533838 FKOGGFQDVUBOHE-UHFFFAOYSA-N 440.219 4.766 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1)c1ccccc1 1662358814 LCJYUZORGMQBDV-LEWJYISDSA-N 434.399 4.933 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1ccc(Cl)cc1F 1663283276 FDDIARQZDMKMSF-CYBMUJFWSA-N 442.217 4.684 30 10 IJEE C#CCN(CC)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1665561568 UTONELPCXLWUFS-IBGZPJMESA-N 436.408 4.819 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(Cl)c1 1674764348 VAUHOBHTMZLYDK-GOSISDBHSA-N 431.964 4.822 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2nc3c(Br)cc(OC(F)(F)F)cc3s2)C1 1675658411 YFEOKZHMTVHDMS-VIFPVBQESA-N 448.264 4.835 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1679812472 VDQMIIINPWJDIC-YGOYIFOWSA-N 440.609 4.922 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C)c1ccc(Br)cc1 1680395669 POIXBNZIYXXQJN-VXKWHMMOSA-N 442.401 4.579 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21 1681266087 DPSNEIJHIDLMJC-IKGGRYGDSA-N 445.423 4.665 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1689858382 LEHFJPQINZPCDK-GOSISDBHSA-N 433.531 4.843 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CC(=C)C 1689888731 PYHLXCMWUGFOGC-UHFFFAOYSA-N 429.609 4.599 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1CCC(OC)CC1 1689948004 PSFIKPJIQGHCNM-ZJRDLVKKSA-N 430.980 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1690054963 KNXBCAYKOYUQSA-RSXGOPAZSA-N 448.636 4.547 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1690230455 DOCIWUVSVPDOBY-CQSZACIVSA-N 448.315 4.648 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1690237162 WETSBPHSGWBHLP-DQLDELGASA-N 448.970 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690251357 TXLNPOXWPOCDAY-KLICCBINSA-N 440.535 4.546 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1CCC(OC)CC1 1690260670 SWFZJGUZOAQVGU-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CCSC 1690472657 SMXNIGJHVOBCOO-CQSZACIVSA-N 426.428 4.590 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1ccc(OC)cc1)C1CC1 1690548892 RTUYDLAIYTVJJM-UHFFFAOYSA-N 437.613 4.775 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1cccs1)N(C)C 1690591101 HXCRFXBZVAWHRQ-OAQYLSRUSA-N 432.597 4.969 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1SCCc2ccccc21 1690598982 HYXSUPQRIWPQOJ-NRFANRHFSA-N 437.638 4.843 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1690683626 PWKAVZSMCMXFMW-QFIPXVFZSA-N 437.632 4.546 30 10 IJEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)CCO1 1694461154 GYVKIZLPJQKDCK-RUZDIDTESA-N 437.588 4.560 30 10 IJEE C#CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(Br)cc1 1705538852 BLHGNMDSNGAFCP-UHFFFAOYSA-N 439.361 4.861 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncc(CC)s1 1705541717 PMYUFXZGHWSOKL-INIZCTEOSA-N 444.004 4.825 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1CC 1705576114 GKOXFIKEXDLELM-IEBWSBKVSA-N 425.374 4.607 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1Cc1cccnc1OCC 1705625797 XEFIOZWYPUDEQO-UHFFFAOYSA-N 433.531 4.557 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H]1CC=CCC1 1705653680 MYJKOYFRJMBRPG-RTBURBONSA-N 428.577 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)[C@@H](C)CC 1705669315 IZOIACODWWVBCS-FMLDBKJISA-N 431.584 4.591 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1scnc1C 1705696456 NXRAYSDDCRMIKW-RBBKRZOGSA-N 437.613 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1705708498 CUPCKTPBDNVGPL-XWQURZDVSA-N 445.007 4.974 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccnc(SC)c2)CC1 1705771158 JPEAIIOIFOKRLK-UHFFFAOYSA-N 435.597 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705786707 WEPFPPQPZNVUGY-MSOLQXFVSA-N 448.409 4.786 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1705791993 KEVQYYOJBSYNFS-UYAOXDASSA-N 428.577 4.855 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705807647 KBBNOMPPCAXYPO-ISKFKSNPSA-N 436.648 4.711 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC1(OCC)CCCC1 1705857452 FZURUPMNJCBHTC-UHFFFAOYSA-N 442.567 4.754 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CSCCS1 1705877257 AFQKQOCJFVKBRT-HXUWFJFHSA-N 440.638 4.930 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2cnc(C)s2)cc1 1705911548 KRVLWWHKNNKYDE-OAQYLSRUSA-N 439.585 4.534 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1705942074 GZZVHHXDQYKUQX-HXUWFJFHSA-N 436.610 4.842 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nc(C(C)(C)C)cs1 1722278795 RHGYJKGNPRWKSH-MRXNPFEDSA-N 445.596 4.595 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1722312602 GQSDZABAICJGPN-UHFFFAOYSA-N 441.583 4.790 30 10 IJEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1722319706 PGLMKBRPIMNSFZ-OALUTQOASA-N 427.618 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722506144 RKADRCAQQZTFLT-FHAGJXEFSA-N 448.652 4.562 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1722520517 VZUNJSPPEKIXIS-IRXDYDNUSA-N 447.986 4.835 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCOC[C@H]2C)CC1 1722583808 YZKJSWAKTBXDFB-UYAOXDASSA-N 442.629 4.654 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CCCOC2)C1 1722593105 IDCSFJDXLNFIQX-FHAGJXEFSA-N 430.637 4.806 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 1722598047 YXGYSXTWPFFBGZ-NZQKXSOJSA-N 431.584 4.628 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)[C@H](C)CC 1722659076 OAXODSDSRLZKGY-OSPHWJPCSA-N 426.536 4.975 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCc1scnc1C 1722659909 HBLRONSEIQMQTJ-LJQANCHMSA-N 441.576 4.511 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1)C(C)C 1723438919 FJCRDIPINPNTFQ-QHCPKHFHSA-N 427.618 4.885 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2)CC1 1740566396 UHQNDHUUWQPEHU-UHFFFAOYSA-N 426.008 4.857 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC(C)(C)C1 1740590251 KHCONTLMYTXMPF-UXHICEINSA-N 443.636 4.678 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740596660 CUFPVPWYAQGEDK-OAQYLSRUSA-N 434.613 4.540 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCC(F)(F)C1 1740614363 ORDQUWVESPFLCB-SFHVURJKSA-N 432.515 4.541 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1ccccc1 1740650011 MGRGDNQVFZLBHN-UHFFFAOYSA-N 444.604 4.817 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@H]1C 1740688064 LQJHWABPEZQUPS-NHCUHLMSSA-N 438.616 4.677 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)C[C@H]1CCCO1 1740712112 XFEXHJUUTVAFMU-IEBWSBKVSA-N 444.670 4.503 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740756677 QOEBSESTUKJOAI-FGZHOGPDSA-N 438.616 4.883 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)c2nccs2)CC1 1740818599 OIKVSDYVEQHOHK-IAGOWNOFSA-N 427.549 4.974 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(Cl)cccc2C1 1740851932 FRZSWFVDHOHXPL-RXVVDRJESA-N 445.007 4.821 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ncc(C)s1 1740935050 AEUHRXXGRCDUAX-GHTZIAJQSA-N 437.613 4.586 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCc1ccccc1 1740947072 NPDPSCITWJSXME-OAQYLSRUSA-N 439.604 4.648 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCN2CCC)C1 1740975039 RDRFWSIBWNUWOU-YADHBBJMSA-N 444.023 4.644 30 10 IJEE CC(C)SCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1741770463 DCEQTCBLZAVTPM-NRFANRHFSA-N 434.009 4.782 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1748708015 RRXBAOONXHXIDK-UHFFFAOYSA-N 427.552 4.836 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1748734379 FQKQGATVSCHFTP-QUCCMNQESA-N 442.007 4.533 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1748737148 YAMITHFXAGTXSZ-NZQKXSOJSA-N 431.584 4.770 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1 1748940858 SFWOVTXQVGBRNT-NHCUHLMSSA-N 425.596 4.548 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](C)c1nccs1 1748945306 QBCHRDWWWSYPQM-QGZVFWFLSA-N 425.577 4.906 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1749152701 CXIPLADTCGMOJM-UHFFFAOYSA-N 449.559 4.533 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1749171405 VQSQIXRRLPTGIM-JOCHJYFZSA-N 437.588 4.709 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H](C)N2CCCCC2)CC1 1749343442 KCCHYXYHDHPTMQ-OAQYLSRUSA-N 437.632 4.544 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1749417328 BRZYYEJUGWVESE-FQEVSTJZSA-N 436.560 4.558 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1749447707 LYJUBYZHQIJVKY-GOSISDBHSA-N 427.574 4.588 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1C[C@@H](C)O[C@H](C)C1 1749474160 XOZNMCMBDSSJJA-CHWSQXEVSA-N 425.396 4.595 30 10 IJEE CSC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Cl)s1 1750289787 FLHKDZOZEUAJDX-MRXNPFEDSA-N 430.002 4.912 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)C1 1750830693 GFPWIWQCVINIHH-PZJWPPBQSA-N 443.039 4.629 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccsc1)N(C)C 1751090749 AHMSMNSQVUKFEV-BEFAXECRSA-N 428.993 4.701 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1(OC)CCC1 1760163569 WSOODJTYJLVHMJ-GOSISDBHSA-N 430.980 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1cccc(COCC(F)(F)F)c1 1760288000 MPSWOAPDUCBGCD-HTAPYJJXSA-N 434.506 4.911 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCc1nnc(C)s1 1760330329 ZADJSAYZEQODIZ-UHFFFAOYSA-N 436.629 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1C(F)(F)F 1760410448 FKAZDYYSPMFDOL-UHFFFAOYSA-N 430.478 4.993 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCCC1 1760456460 PHCXVWZVRCQMBY-OAQYLSRUSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)nc1 1760482197 CSCDLCZTQQBGAX-UHFFFAOYSA-N 430.600 4.713 30 10 IJEE COCCCN(C(=O)CCc1ccccc1OC)[C@@H](C#N)c1cccc(Br)c1 1857958550 SAMNOPZQCMWQPF-FQEVSTJZSA-N 445.357 4.520 30 10 IJEE C=CCN(CC=C)C(=O)c1ccnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 1860536565 IWEZUDFDAUBMNK-AWEZNQCLSA-N 434.323 4.609 30 10 IJEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860727661 ZMMOBMLNUWDJEZ-SNAWJCMRSA-N 432.276 4.853 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862439232 XLCPCKZJYSIYOF-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2c(Cl)cccc2Cl)c1 1862498599 LVZFTGULLYNSAI-DJJJIMSYSA-N 434.319 4.569 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1OC 1862577988 BVCRBKOPSVPEKR-LJQANCHMSA-N 448.302 4.751 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862590463 JHQITKGEWCQYEQ-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1F 1862597284 YFFOAQSXOQWOOM-DYHNYNMBSA-N 427.447 4.827 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1Cl 1862632834 YVRUPJLEFBTVII-GOSISDBHSA-N 434.275 4.710 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 1862675764 SXDQNNIZVUMMNL-NRFANRHFSA-N 425.456 4.538 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862684263 SMLBSZXLQSUNNH-QRQCRPRQSA-N 441.499 4.998 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(O)c2)cc1 1862687512 MACAPUXJBWKRGQ-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863087055 UMTUCNSJRYCLBQ-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(F)cc3)C2=O)ccc1F 1863469681 USZHEIOMGJIFAY-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N(C2CCCCCC2)C1=O 1863706409 VGOUBLCFNPLLFP-UHFFFAOYSA-N 430.548 4.844 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871364405 BNVMRPTXEDVYCJ-JJFYIABZSA-N 431.419 4.928 30 10 IJEE CN(C)C1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)CC1 1871396296 ZKRBNCRDVRIJHM-MTJSOVHGSA-N 447.362 4.841 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCOc4ccccc4)cc(C)c3C2=O)cc1 1871397366 PMTAXEQDGQUJIK-HAHDFKILSA-N 430.456 4.856 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871445732 KFWJDAWXGUQCST-ODLFYWEKSA-N 437.275 4.568 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccccc1 1872082281 MMTWGAUACPAGPJ-QFIPXVFZSA-N 446.638 4.576 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CCCC 1872111787 BHKKTSLDAZAOSF-CYBMUJFWSA-N 440.915 4.694 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)C1CC1 1872281142 JCAOMNZSDWWRFI-XMMPIXPASA-N 440.609 4.755 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872289911 CERMTWSURKLWJR-YKSBVNFPSA-N 442.625 4.858 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OC)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872582792 UDILQXVOCRGEQV-MBSDFSHPSA-N 444.597 4.542 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)n1 1872788566 LKHIMCBXPAHROS-KRWDZBQOSA-N 426.881 4.887 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]c2c1 1872816802 VQEYYEBUKDZLTQ-UHFFFAOYSA-N 434.565 4.725 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(=O)N2CCCCCC2)c1 1873767462 JPUOCLOFHCXIJF-UHFFFAOYSA-N 442.943 4.939 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@@H]1c1cccc(OC)c1OC 1873891391 ARPCIRJZRJXCKZ-NFBKMPQASA-N 432.605 4.870 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1C(=O)O 1874201476 DGFNJIQPLCCLDK-ZMOGYAJESA-N 438.553 4.765 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1O 1874232355 USUKRKZQPLLIPZ-PCLIKHOPSA-N 432.549 4.925 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2ccccc2)c1 1874336459 GDMIDMIQLYYARL-ODDBZWQPSA-N 447.608 4.794 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SC)cc1OCC 1874369193 OOLYLIMHEKZDBE-PXLXIMEGSA-N 430.599 4.916 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874380624 BROWAGXYUPFUIK-WSDLNYQXSA-N 433.896 4.954 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccco2)cc1 1874383269 HTZHOLRLQXRBQD-LPYMAVHISA-N 435.465 4.533 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(O)cc2O)cc1 1874415492 SJFQSTDBNDDBGC-MFKUBSTISA-N 430.533 4.763 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874416588 XXODYZZCDSZUNJ-MFKUBSTISA-N 430.533 4.763 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(Cl)cc1Cl 1874532957 KPIIPHMJSSMPFF-LSFURLLWSA-N 445.335 4.717 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)cc3OC)cc2)cc1 1875112812 QBYHVOPIYVSRNZ-GIDUJCDVSA-N 432.472 4.757 30 10 IJEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(NCc3cccc(C)c3)ncnc21 1875230364 WIVQMBXRLGRQKR-UHFFFAOYSA-N 437.547 4.736 30 10 IJEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(NCc3ccccc3F)ncnc21 1875231680 YWYWSEMWCOJHFM-UHFFFAOYSA-N 441.510 4.567 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccc(Br)c3)ccc21 1890549959 RNNDXYGRMZUGCC-UHFFFAOYSA-N 443.341 4.568 30 10 IJEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 1891216503 IIFJAQSEHKHNOA-UHFFFAOYSA-N 432.273 4.572 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)C12CC2 1925719251 FEDRPUVHQIMPBS-QFIPXVFZSA-N 433.574 4.921 30 10 IJEE C#Cc1ccccc1CC1(C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1952310679 GALQMYPLEFFIRR-UHFFFAOYSA-N 437.495 4.546 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1987482773 NVGLJABSLNLHMX-KSEOMHKRSA-N 432.681 4.734 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2020330393 VUWRDCFFJFQPID-RBUKOAKNSA-N 437.625 4.521 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 2020331780 HVMHCGGUIAOXSP-WOJBJXKFSA-N 439.641 4.719 30 10 IJEE C=C(COCC)[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345580 JTBVWEHCYSMSPJ-SVBPBHIXSA-N 433.548 4.798 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1O 2079937420 BFANHAZIDGALNC-IBGZPJMESA-N 434.334 4.825 30 10 IJEE C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2118201429 QAEJMBVMOROOAR-CHWSQXEVSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCCC2)c2ccc(C#N)cc2Br)C1 2174762816 FWYWBAJILFDQSQ-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CN(C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)c1cccc(C#N)c1 2181053615 NLBPIYFRUUMAOW-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CSCCSC1 2215595348 DBAIIQDHNWCICR-UHFFFAOYSA-N 429.405 4.933 30 10 IJEE CCC[C@@]1(C)CSC(=Nc2ccc(Br)cc2I)N1 2223668815 BPRFHOJASKJPQL-ZDUSSCGKSA-N 439.160 4.936 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1csc(I)c1 2227477827 XWRLLZIQONZUOB-AWEZNQCLSA-N 446.151 4.818 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(c3cc(Br)cc(C#N)c3)C1)C2 2234943039 YMPIMLNKUOKHRI-QVKFZJNVSA-N 434.378 4.937 30 10 IJEE N#CC1(Nc2ccc(Br)cc2)CCC(NC(=O)OCc2ccccc2)CC1 2250001558 YJNYQSPDZOYIFR-UHFFFAOYSA-N 428.330 4.992 30 10 IJEE N#Cc1ccc(NCCc2cccc(I)c2)cc1Br 2273846346 WTAGCUZYHCEXBK-UHFFFAOYSA-N 427.083 4.580 30 10 IJEE C=CCCC1(C(=O)N[C@@H](C)c2cccc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2281049098 XAHKNJIHUJFMFT-HNNXBMFYSA-N 437.378 4.830 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](N)(C#Cc2cccc(Br)c2)CC12CCCCC2 2296279470 PELCAXYZIOXXNR-OAQYLSRUSA-N 433.390 4.842 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2296283587 IITOYHWMLGHPGH-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cn(C[C@@H](O)CN3CCCCC3)c3ccccc23)cc1 2297359215 ARJATSLOOVMPBD-QHCPKHFHSA-N 432.564 4.783 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@](C)(C(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2306620043 JSEVJLZCLBDCRA-WATLYSKOSA-N 430.589 4.992 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317336004 OVYFPYZRIUXWJE-MSOLQXFVSA-N 429.370 4.584 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2321094587 MXUMVEVIJDWYGK-UHFFFAOYSA-N 438.315 4.645 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2CC(C)(C)C)c1OCc1ccc(F)cc1 2321936826 JQRFLJDRCYNSKP-UHFFFAOYSA-N 428.533 4.764 30 10 IJEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2CCCO2)C4)c2ccccc21 2321961712 JNTGTLNXPCSUES-IBGZPJMESA-N 444.531 4.917 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCC 2324091076 XTNMQTCSOYVJQH-UHFFFAOYSA-N 446.883 4.696 30 10 IJEE CC1CCN(c2ccc(NC(=O)C(=O)C=Cc3ccc(Br)cc3)cc2)CC1 2325535620 UFUUTFATDIWVIK-UHFFFAOYSA-N 427.342 4.906 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 2325724300 FWJQWKZCFZMWPV-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc2c(c1)OCO2 2325753261 MDZYLDUKVZWCIM-UHFFFAOYSA-N 438.382 4.817 30 10 IJEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330007953 HUUZBIMHFQTGDD-UHFFFAOYSA-N 428.945 4.705 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)o1 2330667792 QBXKXTMNSRONCZ-UHFFFAOYSA-N 432.505 4.889 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(F)cc1 2331046583 WQVHYVUQGXVWSK-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2C)cc1 2331183525 ZXJDJXXFYXNSNV-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c(OC)c2)c(OC)c1 2331729955 GULPHDULUMHDSA-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE CCc1csc(C#C[C@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)n1 2338645496 UUOJSQTUANBSIE-HNNXBMFYSA-N 436.375 4.867 30 10 IJEE CC1(C)OB(c2ccc(COc3cc(F)ccc3F)cc2Br)OC1(C)C 2377302847 CPDJBAAPAVDRCM-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=CCc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=O)NC2=O)c(OC)c1 2977139 GJWSDHANICWNEG-DEDYPNTBSA-N 445.924 4.859 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 14040086 WUVMZYBASHKCFX-LJQANCHMSA-N 442.581 4.579 30 10 IJEE N#Cc1cccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)c1 21356481 SVOUJSOAFBELOK-UHFFFAOYSA-N 436.500 4.547 30 10 IJEE N#Cc1c(O)nc(SCC(=O)Nc2ccccc2Cl)nc1-c1ccc(Cl)cc1 28616578 ZUEOPFWMLRPBGC-UHFFFAOYSA-N 431.304 4.758 30 10 IJEE C=CCOc1cc(Br)c(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1OCC 33447010 VYUOEKGELMLOBI-BOPFTXTBSA-N 443.297 4.510 30 10 IJEE C=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1 66062514 CYNJJXACSOQMRW-UHFFFAOYSA-N 429.520 4.574 30 10 IJEE CCOc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc(OCC)c1OCC 96348812 WPMQNYCGAVWFGN-UHFFFAOYSA-N 435.442 4.683 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102606238 SBHDJGXRNFMJOT-RKKARLDVSA-N 446.890 4.925 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2F)cc1 170069759 HKLIRTMRRSQGAI-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccc(O)c2)cc1C 170080655 GLHXPLSMTYNXEC-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170082088 VZELIRYGEDFQLR-QFIPXVFZSA-N 446.409 4.935 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(C)c2)cc1C 170145843 ASUDMDBXBYYLIT-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)cc1OC 170155733 OPQIFZQQGRNUDU-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)c1 170205208 OMJGGHAPPDDXKJ-QHCPKHFHSA-N 444.487 4.666 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OCC)c(OC)c1 170216406 FEUMNTQPJTXLKN-QFIPXVFZSA-N 435.476 4.828 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1cccc2ccccc12 170220419 LRYDMXYOXHGZIS-QHCPKHFHSA-N 445.515 4.690 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccccc1 170228391 VYQJIIKMFDLHMU-HSZRJFAPSA-N 438.483 4.967 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 170246877 PQDMZHNUTRMSRP-IBGZPJMESA-N 438.436 4.574 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccco1 170283970 PXOGVEGJGXIUCK-LJQANCHMSA-N 438.823 4.933 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(C)o2)cc1 170300710 OQYQHMGWGHCYEU-NRFANRHFSA-N 432.432 4.842 30 10 IJEE O=C1CSC(=Nc2ccc(Br)cc2)N1c1ccc(Br)cc1 254505521 HQMWNCPUQKKBKD-UHFFFAOYSA-N 426.133 4.979 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1)n1cnc(C#N)n1 409665204 LANBLDFRPBJUEA-NSHDSACASA-N 446.692 4.558 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 460773090 JHRLBLFZKHIOHT-FQEVSTJZSA-N 445.615 4.740 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCCN(c2ccc(F)c(F)c2)CC1 460798211 WOKVAFGSRPTKQU-UHFFFAOYSA-N 439.510 4.525 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 476633171 LYQCHFOSJPYGCV-QZTJIDSGSA-N 444.560 4.959 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1Cl 524000793 CRICDUJVVZNPHS-HNNXBMFYSA-N 425.851 4.812 30 10 IJEE COc1ccc([C@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526605723 FAMFRSGKZUPMML-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2cc(C)ccc2C)cc1[N+](=O)[O-] 526818628 SAEKLHITFJODTH-FMCGGJTJSA-N 425.514 4.766 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 555604101 ZKTMZOQEYVEMGJ-HXUWFJFHSA-N 425.532 4.840 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 669811498 YVWSUMAAIHEOBH-QFIPXVFZSA-N 449.603 4.606 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCC 721930472 WKLCMBAETVDWRB-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3cscn3)CC2)cc1 727588988 CPLXSKKYCJPIFK-HSZRJFAPSA-N 431.565 4.538 30 10 IJEE COc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1OCc1ccccc1 728830594 NUKLIDCZLUPZCK-UHFFFAOYSA-N 442.515 4.829 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)[C@H](Oc1ccccc1C#N)C(C)C 744838550 BXMGIZTUPBVCLH-QVKFZJNVSA-N 444.915 4.503 30 10 IJEE C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(Br)cc1Br 767705230 ZJRBRACYIKDAHO-QWRGUYRKSA-N 433.140 4.684 30 10 IJEE C=CC[C@]1(C(=O)OCc2csc(-c3ccccn3)n2)CCCN1C(=O)OC(C)(C)C 791717049 OXJNWPCEQZNFEL-JOCHJYFZSA-N 429.542 4.594 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 800631723 WLOSSJAXHZGLJR-HSZRJFAPSA-N 434.561 4.568 30 10 IJEE C=C(C)C[C@H](C)c1nc(-c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2)no1 809389936 XWZHEZQQWPQEBK-INIZCTEOSA-N 427.549 4.695 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc2ccccc2c1 917698750 CNLBEYYDCCAOAB-OAQYLSRUSA-N 433.533 4.829 30 10 IJEE COc1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccc4ccccc4c3)n2)cc1 1084235217 NJOAZTLIWAJKAZ-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE CCOC(=O)N1[C@H](C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC[C@H]1c1ccc(C)o1 1124868052 DDJCUQRWMPSHIG-VXKWHMMOSA-N 437.540 4.807 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCN(C)c2ccccc2F)s1 1125350241 KMBGFHFNCIOIAW-UHFFFAOYSA-N 427.998 4.620 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)cc1 1125367381 AQTZDEGLQSSAMC-UHFFFAOYSA-N 446.406 4.896 30 10 IJEE Cc1ccc(Cl)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nc12 1127521269 CCAHUKNQFXACEC-CQSZACIVSA-N 439.302 4.713 30 10 IJEE C=CC[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)OC)c1)c1ccc(Cl)c(Cl)c1 1128330734 RSBCJKPHBFOQNE-SFHVURJKSA-N 444.336 4.650 30 10 IJEE N#Cc1cc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)ccc1OC(F)(F)F 1128369172 APSCHPCBWIITAG-UHFFFAOYSA-N 432.398 4.679 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2csc(-c3ncccc3F)n2)n(-c2ccc(C#N)cc2)n1 1128824212 DAENQOMQWTYXFR-UHFFFAOYSA-N 446.511 4.951 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)C(F)(F)F)cc1 1128867450 WOZYESRIDCFYSY-FQEVSTJZSA-N 443.381 4.590 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H]2C[C@H]2CC)nnc1-c1ccc(Cl)cc1Cl 1129146069 OEZWCZKSNHIKLV-OLZOCXBDSA-N 425.385 4.692 30 10 IJEE C#C[C@@H](NC(=O)CSc1cccc(Br)c1)c1ccc(Br)cc1 1129730984 OZFHXIFKWDQBLQ-MRXNPFEDSA-N 439.172 4.794 30 10 IJEE C#CCCCCNC(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1137508596 AAUIFMXIMMGAMR-VWLOTQADSA-N 430.548 4.780 30 10 IJEE C=CCSCCNC(=O)[C@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1138175342 NREQWILMVQFTNP-VWLOTQADSA-N 438.593 4.729 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C)(c4cccc(Cl)c4)CC3)n[nH]2)c1C 1155606560 LCDCUNPXRQBCME-UHFFFAOYSA-N 437.975 4.923 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 1180210635 KFOYIOVYNQIUNW-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(OC(C)C)cc1 1186396410 YFDRJUCMMXSZCV-UHFFFAOYSA-N 442.350 4.752 30 10 IJEE COc1ccc(CCNC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 1203659875 AILGLARPQLABML-MRXNPFEDSA-N 438.343 4.998 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)c1ccccc1 1213548567 FTFPOAPAJXRCOJ-GOSISDBHSA-N 425.909 4.642 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1221987038 ZHRSTWYAHTUFJF-UHFFFAOYSA-N 429.492 4.737 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C)c1ccncc1 1222021628 MEMYYJAGJMFJPJ-HLAWJBBLSA-N 430.593 4.814 30 10 IJEE C=CCC1(CNC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1222544779 BDFVEJZRPXCIJS-JOCHJYFZSA-N 426.582 4.615 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC(C2CCCCC2)C2CCCCC2)C1 1225936613 FJBGCNFTVRTZTL-PMACEKPBSA-N 432.609 4.574 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1264631386 QBGWVVPYBKXIKT-OAQYLSRUSA-N 430.470 4.740 30 10 IJEE CCN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H](Cc1ccc(F)cc1)C(C)C 1265480711 HHLAEENDKWKAFB-RDPSFJRHSA-N 425.523 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1csc(CCc2ccccc2)n1 1286305744 UPDATLKWDKOOLF-SFHVURJKSA-N 447.633 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1nc(C)cs1 1286306442 VBJPYEUNSHAVOD-SJLPKXTDSA-N 425.627 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@H](F)C1 1286421296 CWGXNVUBSHFPQV-PKTZIBPZSA-N 443.570 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(CC)(CC)SC 1286438651 HMHRUISZEYQGFH-UHFFFAOYSA-N 433.625 4.822 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccco1 1286497419 RWRIJAJIDVJMEF-PKOBYXMFSA-N 440.544 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H](CC)OC 1286528106 QCGGHNSUWHPQQG-GBXCKJPGSA-N 445.007 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@@H](C)c3ccsc3)CC2)nnc1C(C)(C)C 1286562529 KUFIQGIRGVLVCQ-ZVDOUQERSA-N 443.661 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)cs1 1286568483 ZSDONAJMWYMGRA-DYESRHJHSA-N 443.642 4.621 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1286584319 HBUCPKFOVQLMRM-QZTJIDSGSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(C)C 1286672112 GPOHUNYPJDHOHI-LJQANCHMSA-N 449.640 4.671 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1286684813 KRNHMIUUIKLMQR-OAQYLSRUSA-N 430.618 4.896 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1 1286688288 WCRUBZKSYMAHBI-UXHICEINSA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1286705578 ANVDCVFXCWEYEL-JXFKEZNVSA-N 436.959 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1ccc(F)cc1 1286718338 GCHBZUYMNXDCDO-GYCJOSAFSA-N 440.588 4.800 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C)C(C)C 1286752641 CEWVSYOBAMLPEZ-UHFFFAOYSA-N 432.410 4.535 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(Cc1cccs1)C1CC1 1286781820 BXFMJEGOBOJGCI-UHFFFAOYSA-N 449.624 4.775 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1)c1ccccc1 1289586597 LGXVLEKFTXYTLJ-GDLZYMKVSA-N 445.606 4.630 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cccc(Sc3cccc(Br)c3)n2)CC1 1293022599 CYUZBGREPPLMAN-UHFFFAOYSA-N 446.414 4.766 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](OC)C(F)(F)F 1300281408 CMKHBLMVYJCKBN-KDOFPFPSSA-N 440.535 4.701 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](C)c1ccc(OC)cc1 1300327396 BWSRZOJCIFNYPP-IYRWYFENSA-N 438.616 4.857 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCO[C@@H]1C(=C)C 1300437991 CBCNGYXPCJFDMO-DNVCBOLYSA-N 426.973 4.864 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1csc(C)n1 1300563868 OYIVLTDCNWIXJW-QGZVFWFLSA-N 449.649 4.602 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1ccsc1Br 1300617307 XRMLPEYOYDBCIX-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C)c1ccccc1 1301009113 GYPFWNXNBBRRCS-GOTSBHOMSA-N 431.584 4.617 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1301111914 JOINXCABTRTDFG-UHFFFAOYSA-N 442.567 4.840 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nc(C(C)(C)C)cs2)CC1 1301129049 FVRKQMSSTDPQAF-UHFFFAOYSA-N 442.658 4.839 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COCC)C1 1301197933 SNVNZHYJRVUDPJ-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC=CCC1)C1CC1 1301327183 NRVBITDYBNJYCW-IBGZPJMESA-N 441.620 4.904 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1ccc(F)cc1 1301365738 WYZLMOTYRZLHKH-DYESRHJHSA-N 442.560 4.990 30 10 IJEE Cc1ccc2c(c1F)N(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)CCC2 1307824501 HALKBNIYADAGPH-UHFFFAOYSA-N 430.527 4.864 30 10 IJEE COc1ccncc1CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1310923493 DZACQKIZXSASJB-UHFFFAOYSA-N 425.304 4.701 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(CC(C)C)C1)C1CCCC1 1313585386 FZNFOOPXXGCAFQ-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1352479144 ANFJDMBYWDWDDQ-CMJOXMDJSA-N 434.879 4.958 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1csc(CCc2ccccc2)n1 1358896149 XXPWOSPZGPEFAG-LJQANCHMSA-N 433.625 4.759 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1nc2c(s1)CCCC2 1358896501 FXAFQKLOMSRCKN-LJQANCHMSA-N 449.624 4.510 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1358922271 YYNGAZHFLYBPMV-OALUTQOASA-N 432.515 4.600 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCSC1 1358981850 ACJYUCXUJCKQTP-NRFANRHFSA-N 436.625 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1359101664 QTYOGXGRAJHHKZ-JTSKRJEESA-N 430.980 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC=C(C)C1 1359105500 PZVKOSKKGVZECS-XXBNENTESA-N 440.613 4.717 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1csc(CC)n1 1359125894 XBSGAFXAVXJIIW-KRWDZBQOSA-N 446.621 4.582 30 10 IJEE C=CCCCCn1c(N2CCOC3(CCCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359206770 OQEOMVHVGZRUNB-RUZDIDTESA-N 446.636 4.605 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1359232047 LQULFXOMZJGAHZ-HSZRJFAPSA-N 430.600 4.876 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@@H](C)C1)C(C)C 1359264313 BCMWAXSMBQKOSM-IRFCIJBXSA-N 443.039 4.784 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2occc2C)C1 1359313890 SUJSCALDPYYADE-FXAWDEMLSA-N 442.947 4.803 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1ccco1 1359343296 QAJKYNRBOQJWMA-JXFKEZNVSA-N 426.542 4.500 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2ccccc2OC2CCCC2)CC1 1448824179 DIEHIVNPPJZVAD-HSZRJFAPSA-N 437.971 4.613 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 1451969020 DYRUGSMKFKWQKC-DOTOQJQBSA-N 439.478 4.593 30 10 IJEE C=CCC1(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CCOCC1 1456242521 DVHUQSLNPOUEBM-UHFFFAOYSA-N 434.323 4.952 30 10 IJEE C#C[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1460783109 BLFLAKMATFKNSP-MRXNPFEDSA-N 426.232 4.771 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H](C)CC(F)F)nnc1-c1ccc(Cl)cc1Cl 1461127215 MBWFSFYTGXTWTP-NSHDSACASA-N 449.354 4.938 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cccc([C@H]3CCCC(=O)N3)c2)s1 1462815154 LXAPAEFTYAYSKB-MRXNPFEDSA-N 436.002 4.819 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1463836255 HLIHFSIOGSSWRR-OBGWFSINSA-N 443.469 4.595 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)[C@H](OC)c3ccc(Br)cc3)cc2n1 1467353184 IWXOZQBJBZLFBW-VLIAUNLRSA-N 443.345 4.883 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1)c1ccccc1 1468348155 QKOBEMWHOHWIDI-RPWUZVMVSA-N 428.532 4.970 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(CC)cc2)nc2cc(Cl)ccc2c1=O 1472911570 NGRJEWZAWQZEFC-AWEZNQCLSA-N 427.957 4.918 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C[C@H](C)O3)C2)c1 1476104633 XNCWPRSRFCNQKU-HFZDXXHNSA-N 435.568 4.539 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N(CCO)[C@H]1C[C@H]2CC[C@H]1C2 1476792013 BSRCGZHEPOHBHO-HUBLWGQQSA-N 442.375 4.991 30 10 IJEE C#CCN(C(=O)NCc1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCCc2ccccc21 1477492674 XZECHAHCJIYAJR-AREMUKBSSA-N 426.564 4.771 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1478471554 ADCFGSCNFCMNHA-BTCOZLQPSA-N 435.515 4.671 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(C)C)C1CC1 1502927549 CNJNVIWOZYSGJA-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3ccsc3)n2CC(F)(F)F)cc1 1505317750 BSSCTMCZSRPQJR-QGZVFWFLSA-N 433.459 4.694 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1507757278 RHAXMCJTLZFAPT-MJGOQNOKSA-N 433.021 4.892 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507827314 HFWWDMHICBJPRW-WIYYLYMNSA-N 439.604 4.823 30 10 IJEE C=C(C)COCCn1c(N2C[C@H](C)S[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1507848797 SHPDQBJBWXSWSN-BGYRXZFFSA-N 426.630 4.671 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](COC)C1 1507857859 VHFQXLQVSZWOGD-LJQANCHMSA-N 425.964 4.578 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCOC1 1507857994 ZEULGASNLLLYFH-LJQANCHMSA-N 425.964 4.578 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@@H](CC)C1 1507858067 BGUXXRHKOILISX-JSGCOSHPSA-N 443.748 4.603 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccsc2Br)CC1 1507899871 XCKBACSHRGCZIN-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccs2)CC1 1507922570 CUMUBWCAAZBNEZ-UHFFFAOYSA-N 427.643 4.921 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1ccnc(SC)c1 1508003405 YCZWYVJZEMGNRF-UHFFFAOYSA-N 442.592 4.622 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO1 1508011542 STKKECSRSVVRKU-DFQSSKMNSA-N 430.618 4.630 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1508019942 KHXANAHZBYQZHU-ZEQKJWHPSA-N 443.595 4.919 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1508166724 CXRFWUDVTBXONY-HOTGVXAUSA-N 439.050 4.760 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1509095008 DCOMKLVYDPNSDY-RTWAWAEBSA-N 439.629 4.600 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)CCC1 1514359440 BVXXIPZMNAMQLD-UHFFFAOYSA-N 429.515 4.935 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)cc1 1518642954 ONQPXFNGUZFSIY-UHFFFAOYSA-N 448.563 4.969 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)ccc1F 1520058700 VTTWLFZELMCWNJ-QFIPXVFZSA-N 444.572 4.732 30 10 IJEE CC[C@@H]1[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C(=O)OC(C)(C)C 1524259624 BKESEGQKHRGSBV-RTBURBONSA-N 440.569 4.580 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 1535743467 HUIOTEATBQXXKN-KDURUIRLSA-N 432.524 4.777 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2F)c1 1537520081 UYONELHAPNCTJZ-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)CC)c1 1538529920 ABNISCHVQKOTSM-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1539001728 IMXYYDOWLMLYSC-NJYVYQBISA-N 446.643 4.651 30 10 IJEE C#CCCCCn1c(N(C)Cc2c(C)nn(C)c2C)nnc1C1(c2ccccc2)CCC1 1539085984 AUSGFNQAHRULEN-UHFFFAOYSA-N 430.600 4.538 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCSC2)C1 1539101684 FPESRRBHUPFDNM-SFHVURJKSA-N 437.432 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCSc1nccs1 1539315755 TWOVFGZDQHZHBE-UHFFFAOYSA-N 446.605 4.528 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1539631159 JLZBMBQYKANKKP-VIZSFHNOSA-N 444.645 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1539656076 SNYZEGHVQDVMLK-VQIMIIECSA-N 433.394 4.661 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC2(CCC2)C1 1539779556 BAADAEAUEKFIRN-UHFFFAOYSA-N 425.733 4.980 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCOC(C)C)CC1 1539877983 NHNUTDXDIMDMKB-UHFFFAOYSA-N 436.556 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCc2oncc2C1 1539907057 WXHNVUZZGHOMFZ-UHFFFAOYSA-N 442.361 4.861 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1539910208 GCGKRADOMVAZDS-UHFFFAOYSA-N 449.599 4.508 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(OCc2ccccc2F)CC1 1540006374 CWEOWSPCVXKLLP-UHFFFAOYSA-N 435.547 4.555 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)cn1 1540133614 MANHDFGJCTYCDK-DHIUTWEWSA-N 449.574 4.972 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCc2cc(F)cc(F)c2C1)C(C)C 1540152328 RYTZQCGMWSDCEQ-HSZRJFAPSA-N 441.570 4.695 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1540171994 MAEVSIOSIJVMDD-ZJSXRUAMSA-N 448.640 4.587 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1csc(C)c1 1540191722 QJJKVMHTJBZXID-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE O=C(N[C@H]1CCCc2nc(O)ccc21)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1540566594 GAHBAXKNVIZWEL-AWEZNQCLSA-N 436.327 4.884 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)cn2)cc1 1544252686 BLXVOZGILKUONO-HSZRJFAPSA-N 430.483 4.878 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1544878247 SAPBNKZLAYKVHF-IBGZPJMESA-N 449.551 4.860 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC[C@H]1C 1547999044 BEWKHAZNAVOILD-TZIWHRDSSA-N 437.588 4.822 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 1557614493 DQUVDFBMWSWXGR-JOCHJYFZSA-N 441.314 4.907 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F 1564300771 PXVMELDGHCXCHG-UHFFFAOYSA-N 430.907 4.633 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl 1565063370 MFYBTUPHAOVDIC-OXQOHEQNSA-N 426.388 4.776 30 10 IJEE N#C[C@H](NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O)c1cccc(Br)c1 1583892728 JUQRKTNEJIUIEL-SFHVURJKSA-N 442.700 4.865 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCc1nccs1 1587667709 LOWOJHUYEBJVPE-LJQANCHMSA-N 437.613 4.836 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)c1 1588056217 HVLJZNBALJMKQI-UHFFFAOYSA-N 438.593 4.500 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)C(=O)OCC 1588122694 SCBLBZQMTSRVGL-QGZVFWFLSA-N 446.960 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCSC1 1588193283 AGUFAQPPVPLTEF-RBUKOAKNSA-N 438.666 4.738 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1588198206 KJVAIHNTGSNXJN-HXUWFJFHSA-N 438.019 4.572 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC(F)(F)C1 1588284477 SZYNZVYPKFFZDC-GFCCVEGCSA-N 429.334 4.664 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC(C)C)nc2)CC1 1594102268 FVKDTMJQLNJQKD-UHFFFAOYSA-N 439.510 4.534 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1594617315 YBGDGLKLYHHODE-RTBURBONSA-N 429.634 4.931 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(COC)CCCCC1)C1CC1 1595033386 HVUZSIBVEMPFLK-UHFFFAOYSA-N 425.533 4.605 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(OCc2ccccc2F)CC1 1595866677 TWOPFSNWJBDTAY-UHFFFAOYSA-N 441.576 4.517 30 10 IJEE C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1)Sc1ccccc1 1611562678 DOXVPVDGGOKTDR-KKLQWCBXSA-N 425.602 4.831 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)c1nccs1)OC 1613129987 BAHIBZUWFGKGCM-SQGPQFPESA-N 438.601 4.574 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](SC)C(C)(C)C 1615563095 DIRXSFAIYDTJMM-WOJBJXKFSA-N 427.618 4.600 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H]2c2nc(C(=O)OCC)cs2)cc1OC 1621307681 RAJLMAMWIJXUMY-KRWDZBQOSA-N 436.961 4.884 30 10 IJEE C=CCCC1(CNS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)CCCC1 1622347775 SWFXZPGJDKOQHT-LJQANCHMSA-N 426.420 4.752 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 1629138947 ASIJTGNDDFEVPY-UHFFFAOYSA-N 438.355 4.586 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCc2cc(Br)ccc21 1629897261 HYFPXEXXHYIFOO-RBUKOAKNSA-N 449.389 4.640 30 10 IJEE CC#CC[C@H](CO)NC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 1632082624 DSZGYJOZKFPYQW-AREMUKBSSA-N 443.612 4.992 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1635449686 CFYYIIUWTCRJTK-RTWAWAEBSA-N 429.561 4.656 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1 1636558110 UPQCWFXEADBQGO-DYXWJJEUSA-N 445.991 4.693 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21)c1ccccc1 1636821625 SQCMKZVKNHYWSG-HXUWFJFHSA-N 448.567 4.885 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F 1637372614 CKQDLVWXMLZWKY-ZWKOTPCHSA-N 428.495 4.916 30 10 IJEE C=CCC1(NC(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CCCCC1 1638116596 XJBQXWZSIBWVOL-OAQYLSRUSA-N 427.589 4.927 30 10 IJEE C=CC[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C)C(=O)OC 1640686482 VITBIACEVWLEIM-IBGZPJMESA-N 428.941 4.866 30 10 IJEE O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC(Nc2ccc(F)cc2)C1 1642201944 GLNPBMCUANMVBI-UHFFFAOYSA-N 436.327 4.565 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(c2nc3c(s2)CCCC3)CC1 1643507727 BBMVPVNMWIXWRR-AWEZNQCLSA-N 428.989 4.754 30 10 IJEE C=CCOc1ccc(C(=O)N2CCc3c(Cl)ccc(Br)c3C2)cc1OC 1645842568 GIJFPZWCYABSQP-UHFFFAOYSA-N 436.733 4.874 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 1652554501 FBOHIHYYYSXDGE-UTKZUKDTSA-N 438.503 4.799 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)Cc1cc(C)ccc1Br)c1ccc(F)c(F)c1 1655031104 IFYKRPOBPJQGSY-GOSISDBHSA-N 430.314 4.773 30 10 IJEE COc1cc(C(F)(F)F)nc(N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)n1 1655416990 ARBAZNQXLLPZCV-UHFFFAOYSA-N 439.331 4.868 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cccc(C(=O)NCc3ccccn3)c2)cc1OC 1655860783 LXFJSGASXCJKHZ-UHFFFAOYSA-N 437.927 4.851 30 10 IJEE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CNc2cccc(CC#N)n2)cs1 1658783742 LTKWJOQUXBGOCC-UHFFFAOYSA-N 431.443 4.920 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc1 1662729386 DQZTXWJZBMUJTN-MSOLQXFVSA-N 428.945 4.528 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 1668761057 QRCOIEXAXQPHSQ-FQEVSTJZSA-N 445.466 4.560 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC 1673592824 WMCRLTRMVAHCAX-UHFFFAOYSA-N 437.540 4.687 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)Nc2cc(OC(F)(F)F)ccc2Br)c1 1674751683 AZAIOHXFKZTLIM-UHFFFAOYSA-N 432.171 4.680 30 10 IJEE CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccccc1Cl 1676929500 BKOFCFQWDBGISG-UHFFFAOYSA-N 431.367 4.674 30 10 IJEE C=CCC1(CNC(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)CCCC1 1682312131 UJGIUJMCNSZXQQ-UHFFFAOYSA-N 425.598 4.814 30 10 IJEE C#CCC1(NC(=O)N[C@@H](COCCC)Cc2cccc(Br)c2)CCCCC1 1686178578 DRFJLMLSUKDOGK-HXUWFJFHSA-N 435.406 4.812 30 10 IJEE C#CCCCn1c(N(C)[C@H](C)c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689940366 XGABULUKMFETHU-NRSPTQNISA-N 437.588 4.660 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1690157231 AMFJIVJMJBZYJV-UFYCRDLUSA-N 442.629 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO1 1690271163 GERWWKSTGMUWCA-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC=C(Br)C1 1690300462 BSJVRJYOKWYSTI-FQEVSTJZSA-N 445.405 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@]1(OCC)CCOC1 1690440124 YRPZPKYQGKPCGY-DEOSSOPVSA-N 445.007 4.749 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1690470651 HUSHYRNBYMXFHH-SFHVURJKSA-N 441.595 4.738 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1690500248 PLOSBANPDNILIB-FPOVZHCZSA-N 434.588 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1Cc1ccc2c(c1)OC(C)(C)O2 1690579177 HBKLYEPZMFXVMN-UHFFFAOYSA-N 440.569 4.624 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@](C)(O)CC)C1 1690687591 FELOMWXBZNINMO-IVZQSRNASA-N 447.004 4.756 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C(C)C 1690743534 CEZWBPXFJMFTIZ-UHFFFAOYSA-N 437.654 4.547 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2csc(CC)n2)cc1 1694507146 GLHMNYJWWZSEKB-XMMPIXPASA-N 434.613 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OCCC)nc1 1705481849 NSEUUJXRUGQRPW-MSOLQXFVSA-N 449.624 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCCc1nc2c(s1)CCCC2 1705503510 XPBOXRSOMIWCKY-IBGZPJMESA-N 449.624 4.592 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1705722233 BNMCLQWVYUJIOT-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2sc(C)nc2C)CC1 1705772007 JTDGFKOLWYKQHP-UHFFFAOYSA-N 439.585 4.534 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 1705797333 UIBMSQDZDILUQY-IFMALSPDSA-N 431.584 4.628 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1705851285 AOUBTRIDZMQQCA-CVEARBPZSA-N 431.378 4.678 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](SC)C(C)(C)C)C1 1705928086 BBYSPVMVZASWLB-YLJYHZDGSA-N 448.608 4.555 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1705947492 MSDAZJLBSIGEMX-GOSISDBHSA-N 443.617 4.686 30 10 IJEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)CC1 1710041430 GLGDSOHMHSETHO-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCCOC(C)C 1722282425 AUILSTWLJYFOKL-QGZVFWFLSA-N 433.394 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCSCC(C)C 1722288411 ZXLMAZYBJQGZKK-INIZCTEOSA-N 435.435 4.945 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(CCOC)CCC1 1722301892 DIUXKJPRAVQXBG-HXUWFJFHSA-N 438.616 4.819 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722310688 MWOMMMWLELKSBE-CYBMUJFWSA-N 444.299 4.618 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC1CC1)C1CCC1 1722479148 BVGUZHAMOMORGP-UHFFFAOYSA-N 432.322 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@@H]1CCCOC1 1722493224 XHJPABWSXIIEAZ-RBVMOCNTSA-N 438.616 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCc2cccnc21 1722514447 AHQWNQQKVNVMKF-QFIPXVFZSA-N 431.584 4.817 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@]2(CC=CCC2)C1 1722518833 PLZWFYYFMPJNBI-NRFANRHFSA-N 430.394 4.949 30 10 IJEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCOC(F)(F)F)CC1 1722580458 SKWOXSSVTDGRIK-UHFFFAOYSA-N 433.478 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@H]1CSc2ccccc21 1722663119 RYBVSHRXTYUDSD-KRWDZBQOSA-N 426.611 4.958 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1)C1CCCC1 1728736475 CRYNDLYVRNSGBT-XMSQKQJNSA-N 439.629 4.744 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1740575894 WOAMSWKTKQTFOW-NRFANRHFSA-N 434.613 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1740654610 QTNKZQLYCYFVLG-UHFFFAOYSA-N 449.599 4.529 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)CCC(C)C 1740676353 ALGAPGBUSZPDGG-SANMLTNESA-N 449.574 4.615 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](SC)C1 1740721855 VYWIXEHVRGIJBZ-OAQYLSRUSA-N 444.670 4.562 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(CN2CCCCCC2)CC1 1740814688 ZIHGNWUUGGVZSL-UHFFFAOYSA-N 434.053 4.775 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC)(CC)C1 1740861686 VCGIDBLZSVVZAV-UHFFFAOYSA-N 444.649 4.611 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1740867920 ZTKCYJLONPARGP-UHFFFAOYSA-N 444.583 4.758 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cc(Cl)ccn1 1740873175 JSNPFVNJIBJHNN-UHFFFAOYSA-N 433.947 4.782 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1CCOC(C)(C)C 1740927515 IJWNODCOLOOTRN-UHFFFAOYSA-N 449.393 4.710 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCS1 1740935335 JTXZDCNOVWBGHW-FCHUYYIVSA-N 426.630 4.693 30 10 IJEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 1744348617 GFVRRQLTCYISAM-CEXWTWQISA-N 433.478 4.530 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](c1ccccc1)N(C)C 1748775385 KOSQVOJMELUGJX-WIYYLYMNSA-N 433.625 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1749061015 IKAYRHCEHDSZHQ-FQRUVTKNSA-N 449.599 4.645 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1Cc1oc(CCC)nc1C 1749073700 WDXGOYTVEYTVLL-AREMUKBSSA-N 447.583 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1749120039 ZPQOCLBGMOWXLV-SMIHKQSGSA-N 438.616 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1ccccc1 1749133727 PKRFJOOVJBMBKF-NFBKMPQASA-N 437.613 4.642 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749265304 PLXKAAUXFBNFDM-HSZRJFAPSA-N 441.963 4.994 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCn1ccnc1C 1749465703 WGURMXJXLASNJG-SFHVURJKSA-N 442.995 4.906 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1coc(-c2cccs2)n1 1749502127 PNPZHQIZIIWQGE-UHFFFAOYSA-N 435.553 4.807 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(CC)cc1 1749507244 WFJNAPOZLVIOCT-NRFANRHFSA-N 439.604 4.777 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1749510126 AEOZOXLHWRLBFU-KOSHJBKYSA-N 438.576 4.519 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1749643016 DGSWVDTVFVOPCT-UHFFFAOYSA-N 436.629 4.795 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1c(C)noc1C 1760102012 XOGOQQVSDWYGIH-WBVHZDCISA-N 428.540 4.668 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1CC(OCC)C1 1760103851 NDIQBTUVXJSXII-BRJVHFRTSA-N 426.630 4.795 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1cccc(C)n1 1760125689 SJVCGFZODAHNDM-KRWDZBQOSA-N 425.989 4.628 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCc2cccnc21 1760220383 HKCJJWCGOWKOQS-QFIPXVFZSA-N 443.982 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCN1CC 1760330470 DPEMTONQFOJFLM-LJQANCHMSA-N 433.547 4.823 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCSC)CC1 1760383847 AQMDVMJNMBYZES-UHFFFAOYSA-N 425.371 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760408728 FWLLIYZXXYGEBI-WGMWDUQUSA-N 440.588 4.808 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760412181 WVVYNGNCVDIQEP-IEBWSBKVSA-N 431.625 4.887 30 10 IJEE C=CCCOCCn1c(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C 1760453553 ZOSMWVPXOFVXPW-IBGZPJMESA-N 436.959 4.539 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(F)(F)F)cc1 1760496322 QICDNEIRBQCQNI-UHFFFAOYSA-N 433.503 4.879 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCCC1 1760500115 SMNQRDBIXRXINB-UHFFFAOYSA-N 445.567 4.730 30 10 IJEE CCCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1765764674 GMANHTRRDXYSSM-CEQLMSFQSA-N 425.577 4.559 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC[C@@H](F)C2)cc1OC 1766273776 CNMYQYBKGPCQIN-AZUAARDMSA-N 441.551 4.621 30 10 IJEE Cc1cc2oc(=O)c(C(=O)N=C3NN=C(c4ccccc4)CS3)c(C)c2c(C)c1Cl 1859740640 VLPRWRKQLJORMZ-UHFFFAOYSA-N 439.924 4.609 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1ccc2oc(-c3ccco3)nc2c1 1859742202 VUVNKEJBBUCXDH-UHFFFAOYSA-N 446.426 4.946 30 10 IJEE Cc1sc(-c2ccncc2)nc1-c1ccc2c(c1)oc(=O)n2C(=O)c1cccc(C#N)c1 1860480588 OYSDLKIMCVHJSC-UHFFFAOYSA-N 438.468 4.649 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861214869 KAOJNGURRRBFAD-UPVQGACJSA-N 445.623 4.505 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CC2)cc1OCC 1862454338 VPZSXZMMWTTZOE-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862676382 IBNCNDWWCLBXBE-FQEVSTJZSA-N 426.444 4.893 30 10 IJEE CCCOc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862776266 GXQLDDXBOGDSML-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868242760 QZWSFBLBDNPLIC-HSZRJFAPSA-N 442.542 4.774 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c1C 1870145588 HLPYJDNTWYUUAA-UHFFFAOYSA-N 431.540 4.851 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)C12CC3CC(CC(C3)C1)C2 1870160747 IOLXEXSDCQYVHQ-UHFFFAOYSA-N 449.864 4.966 30 10 IJEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870602202 RMOYXPBEQQQPAC-IYBDPMFKSA-N 437.367 4.529 30 10 IJEE COc1ccccc1CNC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871433539 FCHZHHQMEYWQEZ-CFRMEGHHSA-N 443.499 4.623 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871434945 WJJHUEGVNDVUBU-HRVJUDJTSA-N 425.437 4.630 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871792037 LKOCUXGEUBRKPX-SFHVURJKSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872022878 QSVZRJFRSXWKMR-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(OCC)cc1 1872083282 BJCKMHFWCOAZIY-HSZRJFAPSA-N 444.597 4.632 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872516044 GPJOHBVYDKLGSL-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872772437 CYEGIIIGXHBNRQ-GOSISDBHSA-N 436.489 4.583 30 10 IJEE COc1cc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3OC)n2)c(OC)cc1Cl 1872783119 RRUTXKZRGYHSLS-OAHLLOKOSA-N 442.924 4.908 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203545 WJWYIIIURXBFMM-UHFFFAOYSA-N 433.895 4.517 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCc3cccc(C)c3)ncnc21 1873617615 YWVJNAMEXTXHBK-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE CCCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)c(O)c1 1874218111 VHSKJQPOWVSCTA-FOKLQQMPSA-N 446.960 4.923 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1c[nH]c2ccccc12 1874296927 BMUNVABHUKBUNX-ZMOGYAJESA-N 432.509 4.809 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874320571 YNIFEPADFXGFNZ-FSJBWODESA-N 437.525 4.933 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(OC)ccc1OC 1874343007 UFNBLNIPWNZUTH-OEAKJJBVSA-N 428.945 4.700 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874371217 OTBPNCZRMUHFOE-CIAFOILYSA-N 434.974 4.653 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2)c(C)c1 1874514505 BHSKCIBLEAOZPQ-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2COc2ccc(Cl)c(C)c2)ccc1OC(C)C 1874568369 VIYAIMVWIGEVQZ-FOKLQQMPSA-N 446.960 4.786 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 1874697046 SFCNBNSORFAIPJ-NTUHNPAUSA-N 447.443 4.656 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1ccncc1 1875169767 RQZWWTVMGVEZSZ-VOTSOKGWSA-N 447.487 4.840 30 10 IJEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(NCCCOCCCC)ncnc21 1875228287 ISKSMXNJQAXDAW-UHFFFAOYSA-N 429.609 4.888 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCc2c(Br)cccc21 1922075210 UTLBDHZJAAOQTF-DHIUTWEWSA-N 430.386 4.724 30 10 IJEE C=CCC1(NCc2cc(Br)cc(F)c2O)CCN(C(=O)OC(C)(C)C)CC1 1924529571 HDCDKWCQHYEMRU-UHFFFAOYSA-N 443.357 4.729 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1930735654 RWJLOBICRDTKIK-JSGCOSHPSA-N 435.156 4.714 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C#N)(CNC(=O)OC(C)(C)C)C1CC1 1944405338 JHMLVYYUFWRQGM-QHCPKHFHSA-N 431.533 4.634 30 10 IJEE C#C[C@@H]1CCCCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1984725505 IZQQZINLDQHERE-FQRUVTKNSA-N 444.575 4.812 30 10 IJEE N#C[C@H](C(=O)CSCCc1nc2ccccc2[nH]1)c1nc2c(s1)CCc1ccccc1-2 2084273025 JXRRWIWGJOGFMX-QGZVFWFLSA-N 444.585 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1C#N)[C@@H]1CC=CCC1 2196084882 HVYPSOFNESCWIO-CXAGYDPISA-N 434.334 4.509 30 10 IJEE CC1(C)C[C@](Oc2ccc(C#N)cc2Br)(C(=O)O)[C@@H]1OCc1ccccc1 2197254896 ZYBSSXASADLSSF-WIYYLYMNSA-N 430.298 4.538 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(Br)cnn2C(C)C)C1 2197750302 XOJGSOQNYKNJSL-KRWDZBQOSA-N 441.414 4.881 30 10 IJEE CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)CCC12CCC2 2205738422 QFJGFFQECJBJRL-MRXNPFEDSA-N 434.334 4.581 30 10 IJEE CCN[C@@H](C#Cc1ccc(CC)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223317276 CPWSEWYQWMXGFK-DQEYMECFSA-N 436.596 4.689 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CCC 2232466265 LBTBAJKHRXVNFT-MAUKXSAKSA-N 443.430 4.956 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1CC1CC1 2233308740 WOOVOGMHUZPJMY-CRAIPNDOSA-N 441.414 4.566 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)nc1 2235717519 BMBTTWNWYXEUAJ-SFHVURJKSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@@H](N)C#Cc1ccccc1Br 2235721748 BMHXWSOWTSZRQN-SIKLNZKXSA-N 429.358 4.568 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2235725351 NLHSCDYPEXOTAO-BHIYHBOVSA-N 435.406 4.718 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2247768440 ROFZACXOEYBIPK-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)C2CCCC2)c(B2OC(C)(C)C(C)(C)O2)s1 2247831651 BOASSJOTTXGOPF-UHFFFAOYSA-N 425.403 4.941 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2261830574 YBDCNNXMDKRBSS-IFMALSPDSA-N 447.572 4.655 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(C)(C)C 2267802520 UXSIQDIFYLGYRB-SFHVURJKSA-N 437.389 4.768 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)cc1F 2268637549 DGMJUYYZSGXJPY-KRWDZBQOSA-N 446.328 4.623 30 10 IJEE Cc1cc(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc(C)c1C#N 2268825769 ULXLUXFJRMVVLV-UHFFFAOYSA-N 449.551 4.568 30 10 IJEE CN[C@H](CC#CC1CCCC1)c1ccc(I)c(Br)c1 2274122699 PTSBLNSGHUFTCR-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE Cc1c(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)ccc(Br)c1Cl 2284370438 YJBVHTCXEAXETG-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@@H](N)C#Cc2cccc(Br)c2)cc1 2296216270 IXPLQXDBIYWZRN-FQEVSTJZSA-N 429.358 4.568 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2296219049 KLRCWBACYCAFTB-MISYRCLQSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296276609 JWMICAPUYOOPTD-NBYUQASBSA-N 433.390 4.696 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2296311460 XGKPTDVXOBKATO-AQNXPRMDSA-N 435.406 4.670 30 10 IJEE COc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 2296957056 BBDCNLANCCXUKT-UHFFFAOYSA-N 440.546 4.551 30 10 IJEE COc1cc(C=C2Oc3c(ccc4c3[C@@H](CC(C)C)CC(=O)O4)C2=O)cc(OC)c1OC 2297591424 JOGLPTTWXBWTKD-HNNXBMFYSA-N 438.476 4.767 30 10 IJEE Cc1ccc(CCCC(=O)N[C@H]2CCN[C@@H](C(=O)C=Cc3ccc(C(C)C)cc3)C2)cc1 2318584866 SDINIBFWLNPNRU-IZZNHLLZSA-N 432.608 4.960 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(CCOc1ccccc1)CO2 2322339347 VLYGREPSHHRRFB-UHFFFAOYSA-N 431.463 4.981 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C(C)C)cc(C)c2C1=O 2322638548 VLDDHDCTKLZCAG-UHFFFAOYSA-N 431.282 4.944 30 10 IJEE COC(=O)COc1c(OC)ccc(C=CC(=O)c2ccc(C)c(C)c2)c1Br 2323280208 JHKDUXZAPIERPB-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323603515 NWKGIHWDKSWISZ-UHFFFAOYSA-N 444.414 4.847 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(OC(C)=O)cc3)c2C)C1=O 2323627851 DLYPUMWYAVLUBM-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC(=O)NCCC 2324261265 IRTZRGKMCODBKK-UHFFFAOYSA-N 429.463 4.503 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OCC(=O)OC 2324521759 UQERGOGEDCKWQR-UHFFFAOYSA-N 444.911 4.842 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(Cl)c(Cl)c1 2329039260 LYSSJXZZTLKBEW-AWEZNQCLSA-N 440.400 4.694 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2330221875 LQLNJHCWCILETG-UHFFFAOYSA-N 448.036 4.897 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Br)c2)c1 2330784293 JDZCRIOSTCSESU-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c(OC)c1 2331115719 WVONBSCLBYNDJZ-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(O)cc1 2331319347 JVNWWYLDIOZBET-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc(Cl)c1OC(=O)COCCOC 2331324253 ATPLPDMRRBGBAE-UHFFFAOYSA-N 446.927 4.820 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)c1 2331490126 VCDVVEQHXZUTSN-UHFFFAOYSA-N 449.580 4.789 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)C)n1N=Cc1c(Cl)cccc1Cl 2331668691 JHNCNZCEWSVOPR-UHFFFAOYSA-N 428.389 4.551 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cnc(C)cn1 2331668749 QXOOWGLVUUKYEW-UHFFFAOYSA-N 446.503 4.924 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1cccnc1 2331726704 WSSVOUMTBBOPAI-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CC2)cc1 2331728695 CAHCSBWAIRGKKY-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339585009 JBZAEEVHDYQGPS-HHNLSAEISA-N 443.397 4.784 30 10 IJEE Cc1ccc(C#N)cc1OCc1ccc(I)c(Br)c1 2349920512 JVHTXKXVMWUVKL-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE COc1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)cc1OC 16960100 BPJXFVPKECEJRD-OAQYLSRUSA-N 436.899 4.638 30 10 IJEE COc1cc(NC(=O)CCSc2nnc(NN=C3CCCCCC3)[nH]2)ccc1Cl 20837824 UAWFHFUOXBNMOI-UHFFFAOYSA-N 436.969 4.710 30 10 IJEE COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)ccc1O 21258813 UKABFDOWNQGCQR-UONOGXRCSA-N 432.303 4.712 30 10 IJEE COc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 27532896 VRYNESHSSVWTNJ-HSZRJFAPSA-N 431.536 4.641 30 10 IJEE CCOc1ccc(/N=C2/S/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)N2CC)cc1 33293823 VKDVFVVOMACYGO-TWGQILOBSA-N 442.537 4.735 30 10 IJEE C=CCc1ccc(OCCCn2c(CCCNC(=O)C(=C)C)nc3ccccc32)c(OC)c1 35144984 TYTZAYQXFGRKCQ-UHFFFAOYSA-N 447.579 4.867 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1 38277314 KCFANCWAXMNLOU-ISKFKSNPSA-N 449.547 4.966 30 10 IJEE CC(C)(C)c1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc3c(c2)OCCO3)cc1 46128485 PGAXVSMLNJSOEU-UHFFFAOYSA-N 444.535 4.548 30 10 IJEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1sccc1C 54643631 SHLSDGYCCOLQCI-SFHVURJKSA-N 438.578 4.958 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 64251755 ULFQELXNTNKHJR-UHFFFAOYSA-N 441.491 4.832 30 10 IJEE CCOc1ccc([C@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 103106871 UJMZVQMWOSKDJW-VZCCSQPZSA-N 440.546 4.846 30 10 IJEE N#Cc1cc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)ccc1OCC(F)(F)F 107588682 MCRRLHBUDLOIBA-UHFFFAOYSA-N 437.805 4.532 30 10 IJEE COC(=O)c1sc(N/N=C\c2cccc(OC)c2OCc2cccc(C)c2)nc1C 169943486 NNWOITIVDJPQOC-FMCGGJTJSA-N 425.510 4.580 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccco2)c1 170097854 KLJJYTXWAFGFOC-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C)o2)cc1C 170100431 DULOYTYHMSDBOU-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccc(OC)cc1 170116198 YBGWOCCVDDUZFU-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(C)c1 170140685 BQMNFMFOWJSCKE-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccccc1 170228795 POPQSFMBOTWHON-DEOSSOPVSA-N 440.499 4.607 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cn(C)c2ccccc12 170269373 QKBSTTBMQDPSIJ-VOIUYBSRSA-N 444.531 4.880 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1ccco1 170287794 FEAIKELHOIEUFR-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@@H]1c1ccco1 170297244 IGYNMJUBGQYCTF-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)o2)ccc1Cl 170310411 HQEIICPDTLTFAM-HXUWFJFHSA-N 447.915 4.643 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCOC(C)C 170313295 XLJYSLKLPOVQOE-HXUWFJFHSA-N 443.565 4.847 30 10 IJEE C=C(Cl)CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226844020 KRFMFIYZLACMLT-FQEVSTJZSA-N 431.941 4.854 30 10 IJEE Cn1c(=O)n(C)c2cc(/C=C3/S/C(=N/c4ccccc4)N(c4ccccc4)C3=O)ccc21 230198408 DWWDWRVOZOZSOH-CWFNPDHMSA-N 440.528 4.686 30 10 IJEE N#C[C@@H](CNc1ccc(I)cc1Br)c1ccccc1 381773714 BSRCYKMRRXAHLG-LBPRGKRZSA-N 427.083 4.773 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 442221915 SLHJKSXFJKJURD-UHFFFAOYSA-N 447.392 4.906 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)c2c(F)ccc(Br)c2F)c1C#N 447127500 DJDHAOFRDNZQLX-UHFFFAOYSA-N 449.280 4.759 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 460942331 YUFZUAIHMOMARC-UHFFFAOYSA-N 447.558 4.710 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 504076561 NWMFAACWJSMISK-QHCPKHFHSA-N 431.508 4.545 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 505010503 HVIKZLWPLRWHBV-GOSISDBHSA-N 428.602 4.709 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526522120 PJGUUKJBMACPGG-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 530394731 OIFVMJWGAPALML-OAQYLSRUSA-N 426.630 4.710 30 10 IJEE COc1ccc(-c2nc(C)c(C(=O)Nc3nc4c(cc3C#N)CCCC4)s2)cc1OC 539375110 JDZGOSIZNALAGU-UHFFFAOYSA-N 434.521 4.534 30 10 IJEE COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2cc(C#N)c(SC)nc2O)c1 542375408 RKPJKFDYEIQTSJ-IRLDBZIGSA-N 445.544 4.760 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](c2cccs2)C1 558982440 OGNSMZQWMIAOSL-KRWDZBQOSA-N 432.496 4.762 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCOC2)cc1 559230041 HIXKHCWMUUEDNF-HXUWFJFHSA-N 437.588 4.537 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H]3c3ccc(Br)cc3)C2)c(F)c1 573470870 RMEVMHHGOVCIKN-PXNSSMCTSA-N 442.332 4.650 30 10 IJEE C[C@]1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCN1C(=O)c1ccccc1 609724106 VFKGVCHYJZDDDH-AREMUKBSSA-N 425.488 4.984 30 10 IJEE CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c(C#N)c1C 610150688 IPRULMOKHSBTMC-STQMWFEESA-N 438.427 4.746 30 10 IJEE C=CCn1c(Sc2nc(C3CC3)ncc2Br)nnc1-c1ccccc1OC 685265416 DOIHAJKPZNZHMT-UHFFFAOYSA-N 444.358 4.721 30 10 IJEE C#CCCCCCNc1cc(I)cc(I)c1 686684714 FFGNSHIBBCPUJC-UHFFFAOYSA-N 439.078 4.501 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)O[C@H](C)C2 730686135 DLRAKMYPYZCPIT-KCMWZYNZSA-N 438.911 4.513 30 10 IJEE C#CCN(C(=O)N[C@H](C)Cc1ccccc1F)[C@H]1CCOc2ccc(Br)cc21 733342351 FLXDMLKWFYTOPH-QRWLVFNGSA-N 445.332 4.688 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C 735969611 WARZQGWQTCHWQC-SFHVURJKSA-N 431.920 4.847 30 10 IJEE CC(=NOCc1cccc(-n2cccn2)c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 758764086 LXUGOMFSCMESPK-UHFFFAOYSA-N 440.429 4.721 30 10 IJEE C#C[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 774271851 KDWVWZKGMNAKAC-DJJJIMSYSA-N 443.931 4.770 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 780776746 GPGRWSPPQDXJAP-DVECYGJZSA-N 437.565 4.550 30 10 IJEE C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787055305 ZYQZPNJZYIDRLJ-AYLJLJJLSA-N 446.290 4.891 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)Nc3cc(Br)cc(Br)c3)n2)c1 1131529066 DPBBNCLCIVKZDG-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)nn1 1134598018 BUEIYKGEJAIZLY-UHFFFAOYSA-N 433.350 4.828 30 10 IJEE CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)C1(C#N)CCOCC1 1155845291 FHAQFGYGQISAEQ-UHFFFAOYSA-N 447.304 4.659 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)s3)CC2)cn1 1177113986 GYOKVLUHYLPTPU-UHFFFAOYSA-N 443.359 4.951 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CCCCC1 1196557041 PJHCCHPPBSAMJN-UHFFFAOYSA-N 440.009 4.915 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1201298747 PUKBRJSZKZGPPM-QFIPXVFZSA-N 449.551 4.820 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccccc2-c2noc(C3CC3)n2)cc(OC)c1OC 1220438198 OUOGCJMFSZJZAB-UHFFFAOYSA-N 434.496 4.681 30 10 IJEE O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N[C@@H]1CCOc2c(F)cccc21 1220750550 BOZPHBHCNJMMNF-PKFCDNJMSA-N 428.348 4.858 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 1222334873 UCXIBQNPBXIBND-KRWDZBQOSA-N 449.393 4.782 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1 1226867836 VGDKDYWTHDOWEA-QHCPKHFHSA-N 449.551 4.922 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](CC)Cc1cccc(Br)c1 1228207584 VQBKARPMOHKSRO-KRWDZBQOSA-N 449.389 4.891 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1264165627 IVZLFNGTGOQNCU-RUZDIDTESA-N 440.609 4.871 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 1275389213 HEGSKJOGSOVLCN-HXUWFJFHSA-N 439.350 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(C)C1CCCCC1 1286275165 NDQWOWXWVHPDBD-NRFANRHFSA-N 444.627 4.914 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1286328113 MYDSDFPSDZHYQF-AOYPEHQESA-N 443.595 4.672 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286334957 PDPOPQHJWNDEQL-SANMLTNESA-N 438.616 4.919 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)c1nccs1 1286422575 BHDRGJLBLFFEAJ-HNNXBMFYSA-N 444.391 4.975 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(C)C)C1 1286497979 ZYVJTPRBYLRGQS-NHCUHLMSSA-N 426.630 4.884 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286594372 OAGAKCSECQWJFU-GOSISDBHSA-N 444.988 4.746 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286635840 CUXWGNZCFHDPPL-HZPDHXFCSA-N 440.444 4.895 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1286639130 YJGBDOXXLGTTPN-APWZRJJASA-N 448.409 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(OC)CCCCC2)CC1 1286643158 BXYXRYJJPCBPIJ-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 1286659064 IRVVYOHYUNIMQQ-DEOSSOPVSA-N 437.632 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286667471 JUNXEEMGXGNVAU-UHFFFAOYSA-N 448.615 4.783 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1COCCO1 1286680860 GATQLXGOVRISIN-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C)C1CC1 1286731608 BSABQCSXSHGRDS-ROUUACIJSA-N 432.012 4.793 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CC1CC(F)(F)C1 1288956466 IDJQPPIJIXCVHT-HNNXBMFYSA-N 433.478 4.733 30 10 IJEE COC(=O)CCc1ccccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1292744622 BAFKSASETFJBKV-UHFFFAOYSA-N 428.488 4.804 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCCC[C@H]1C 1300276060 GAJXMXZVALBNMX-RTBURBONSA-N 445.558 4.659 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCCC2(C)C)c1 1300334600 RFKWOIVCKSTSGG-FQEVSTJZSA-N 435.616 4.749 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCO[C@@H]1CCCC[C@@H]1C 1300602076 NSXHPLNVQUYUGQ-IRFCIJBXSA-N 428.552 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1300608914 HDKOPZXZCXHMIR-QGZVFWFLSA-N 431.987 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[C@@H]1CCOC1 1300797519 CUXVFMWWAKYYFR-QFQXNSOFSA-N 436.600 4.789 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)c1nc(C)cs1 1300905807 FKAXPEJVIJAJSE-MRXNPFEDSA-N 439.585 4.687 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2csc3ccccc23)CC1 1301109084 YHUIZRKKOKYPCK-UHFFFAOYSA-N 437.613 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301155165 INQDPMXTLXQMCW-JTHBVZDNSA-N 438.616 4.680 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccon1)c1ccccc1 1301163218 GQIIRSGZTSBORU-LJQANCHMSA-N 434.931 4.978 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2cc(C)c(Br)cc2C1 1308103258 HCBDMYAEUZIKQP-INIZCTEOSA-N 433.415 4.780 30 10 IJEE C#CCN(C(=O)Nc1cnc([C@H](C)CC)nc1)[C@H]1CCOc2ccc(Br)cc21 1310628816 IXBWVZDCIXULFC-KDOFPFPSSA-N 443.345 4.744 30 10 IJEE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 1348417225 BBTZILUKAFYVAU-UHFFFAOYSA-N 442.500 4.901 30 10 IJEE C=CCN(C(=O)[C@@H]1CCc2nncn2CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1350807543 KBPUTUBPARCOQE-CYBMUJFWSA-N 448.379 4.880 30 10 IJEE CCC[C@H]1CCc2nc(NC(=O)COc3ccc(C#N)c(Br)c3)sc2C1 1352377672 DIFORPBZGFEVRM-LBPRGKRZSA-N 434.359 4.700 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H]2C[C@H](OCC)C2(C)C)nnc1-c1ccc(Cl)cc1 1354208773 YLTRZRAODWRFQS-ROUUACIJSA-N 449.020 4.539 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCOc2cc(C)cc(C)c2)c(C(=O)OCC)c1C 1355010854 ZJVOTOOTAVBOAS-UHFFFAOYSA-N 445.537 4.600 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccncc1Cl)c1ccc2c(c1)OCCO2 1355189892 ILYQDEZZDSJIEV-UHFFFAOYSA-N 436.895 4.918 30 10 IJEE C#CC[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 1356595890 QAEIZGRFZMUQQM-QHCPKHFHSA-N 438.556 4.907 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1357460871 XTHWJNCKFUARGN-DHZHZOJOSA-N 431.677 4.795 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(SCCC(=O)OC)c2)CCCN1C(=O)OC(C)(C)C 1358001933 ZYNMDIRDWALNJN-HSZRJFAPSA-N 448.585 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1C[C@H](C)O[C@@H](C)C1 1359005079 VDAROYKPBBEFCD-GJZGRUSLSA-N 449.368 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1359100581 DGPMXFGLNWBTHP-AQCRLBJHSA-N 444.645 4.551 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1nccnc1C 1359109029 MUOLYSJLPKVYQJ-UHFFFAOYSA-N 447.406 4.513 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2nc(C)c(C)s2)CC1 1359168881 MFVQYJKLZOQBDU-UHFFFAOYSA-N 439.585 4.534 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C)C1 1359182848 VQCDEHCGGHSULH-SFHVURJKSA-N 427.618 4.691 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC[C@](C)(CC)O1 1359236073 YEEYAGZVCPJGQP-IERDGZPVSA-N 449.393 4.686 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1359246516 DKGDMTUAASGNDF-WOJBJXKFSA-N 441.595 4.832 30 10 IJEE CC(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 1359667708 HDJIITNAZSCOIK-SFHVURJKSA-N 447.505 4.944 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1 1360122336 CUIYDZXUACVYOB-DEOSSOPVSA-N 447.564 4.794 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3c(F)cccc3Sc3ccccc3)CC2)c(F)c1 1360312935 FJKGRCRTJOVBRO-UHFFFAOYSA-N 435.499 4.950 30 10 IJEE Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2=O)cc1 1361239791 CZHUEUMUAPRRDW-QHCPKHFHSA-N 443.478 4.724 30 10 IJEE C=C[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1435988268 BJCIGWKMHGAPTD-QQSJCBEGSA-N 444.531 4.670 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1436135467 OMYIIAKAEKKDOU-UHFFFAOYSA-N 447.000 4.733 30 10 IJEE C#CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)[C@@H]1CCOc2ccc(Br)cc21 1458195369 LJULZOKAYAQQOV-MRXNPFEDSA-N 446.301 4.503 30 10 IJEE C#CCN(c1ccc([N+](=O)[O-])c2cnccc12)[C@H]1CCOc2ccc(Br)cc21 1458197949 PFAOFFKJAVYKHZ-IBGZPJMESA-N 438.281 4.869 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)c1ccc(Br)cc1 1460789205 RSZGWSAYFGBUGO-LJQANCHMSA-N 428.326 4.883 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cc1OC 1463843444 OJFPALCNWYQIHF-LOULHMMLSA-N 427.928 4.997 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)c1 1464866828 FBOJSAZZRIATGT-IBGZPJMESA-N 443.341 4.659 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C)O[C@H](CC(F)(F)F)C1 1466817237 XAEMOWCWSXJIRU-WCQYABFASA-N 437.256 4.588 30 10 IJEE C=CCN(C(=O)c1cc(F)c(Cl)c(N)c1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1466892911 FIEWZIJNPRLCIK-INIZCTEOSA-N 439.314 4.517 30 10 IJEE N#Cc1cc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OC(F)(F)F 1467486378 GLKCINOIIYRAMO-HXUWFJFHSA-N 439.393 4.567 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC 1471056815 IXGSDCKSOQYMBX-WXFJXSOESA-N 444.572 4.569 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)cc1 1475972246 BNZKCTCHSZVHEM-NRFANRHFSA-N 429.586 4.710 30 10 IJEE C/C(=C/c1ccccc1)CN(C)C(=O)Nc1ccc(C#N)cc1I 1477093931 CDDVFRGLXIDORX-UVTDQMKNSA-N 431.277 4.730 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC2CCCC2)nnc1N(C)[C@H](C)CC#N 1492728362 BJKUFMJYFYVSST-GOSISDBHSA-N 431.588 4.600 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@@H]1CC 1507757330 YAVXSMAOLKSTLM-SFHVURJKSA-N 443.667 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)CC 1507764180 JTTNLBFKNNCZDC-GLYQVZKVSA-N 445.007 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC1(c2ccc(F)cc2)CCOCC1 1507816132 JWWYIHWELJTWTG-UHFFFAOYSA-N 435.547 4.630 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1csc(CC)n1 1507839422 DWPADSAJNFLYDU-UHFFFAOYSA-N 431.993 4.847 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OCCC)CC1)c1ccccc1 1507851195 HTRXIJVYPRARQY-DEOSSOPVSA-N 431.584 4.763 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1507878355 VIMADYXKURRPAR-QZTJIDSGSA-N 426.561 4.564 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(Cl)cc2)CC1 1507898772 USCRLIIMYSGIBF-XMMPIXPASA-N 445.007 4.617 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507933074 FYOFSISFADSYMG-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507956243 HAJINHIUJHMAIE-FQEVSTJZSA-N 438.551 4.617 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cccnc1OCC 1507986060 HHYUJHBYNQPPMH-UHFFFAOYSA-N 448.354 4.628 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCN1CCC(C)CC1 1508007777 GGUCDABODZDIEI-QHCPKHFHSA-N 441.595 4.583 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1cccc(C)c1 1508010985 JKGFPWILPGDQGK-HXUWFJFHSA-N 449.624 4.767 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)CC 1508029272 YWYXZWAJXWSGDU-QFIPXVFZSA-N 432.927 4.727 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1508047931 SOBFLJJXXUBCGM-SFHVURJKSA-N 431.378 4.597 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)[C@@H]1C 1512285225 FLUNPOGEKFTVDL-QWHCGFSZSA-N 432.475 4.575 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOC2CCCCCC2)c1 1518372365 HHKPBFAFMLNHEV-RUZDIDTESA-N 437.588 4.823 30 10 IJEE C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c1 1526632708 SELOZBGYAGMKKP-UHFFFAOYSA-N 448.544 4.645 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1535468344 PIQRCYOLFRKNKV-MOXGXCLJSA-N 435.738 4.657 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1539051734 GQXJRNYBILAYLF-QFIPXVFZSA-N 445.592 4.867 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1539063077 KRTNQSQCQXKNSA-NRFANRHFSA-N 439.922 4.514 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)NC3(c4cccc(C(F)(F)F)c4)CCC3)C2)c(F)c1 1539224054 CJTBGFYRHQWSQW-MRXNPFEDSA-N 431.433 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=CCC1 1539640423 HQQVBLGBWNHDLT-KKSFZXQISA-N 449.382 4.911 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCC[C@@H](C)C1 1539652113 NXSWSVMWFHYJKA-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccccc1Cl)N(C)C 1539667611 KWJXHKFSDYUNQX-RXVVDRJESA-N 432.012 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1CCc2ccccc21 1539676944 ZLXDSTCPARERCU-FQEVSTJZSA-N 449.624 4.792 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1539728286 GDLNDTZMSQOBME-FQEVSTJZSA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539981247 GMMKGNJRQRIKBZ-LJQANCHMSA-N 439.995 4.690 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(F)(F)F 1540088035 CTFFPFMCDFCLEO-AWEZNQCLSA-N 431.503 4.561 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCN1CCC 1540141662 DKHWDEORRFJCIF-FQEVSTJZSA-N 438.645 4.802 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCOCC2(CCC2)C1)C(C)C 1540147013 IMGCOEGVZBHHRI-XMMPIXPASA-N 449.643 4.651 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCSC1 1540180743 UJUQRGBXQBVCLT-YADHBBJMSA-N 426.630 4.898 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H]2C)C1 1540896337 KHZQAYPWHSNWSU-DBXWQHBBSA-N 430.980 4.728 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)C1 1541486405 BWMMXOYVJPPVNI-QFIPXVFZSA-N 434.632 4.811 30 10 IJEE Cc1nnc(Cn2c(-c3ccccc3Cl)nnc2N(CCC#N)CCC(C)C)s1 1543118851 CGLIHKQKEXSANO-UHFFFAOYSA-N 429.981 4.573 30 10 IJEE Cc1noc(C)c1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)C[C@H](C)C#N 1543404379 DVEVKEHKLMCHSG-QGZVFWFLSA-N 436.560 4.619 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 1544308866 ATCWHOAWDBDEAR-UHFFFAOYSA-N 431.580 4.763 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2C#N)[C@@H](C)C1 1544389932 FQMIQKCQPGAWLI-YQQAZPJKSA-N 439.556 4.936 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(C(F)(F)F)co2)nnc1-c1ccc(Cl)cc1 1544474657 VBDWCTTZSYVHQM-UHFFFAOYSA-N 443.838 4.522 30 10 IJEE CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(F)(F)F)cs1 1546991384 HHKLYAALFKCXTE-UHFFFAOYSA-N 434.491 4.771 30 10 IJEE C/C(=C/C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)c1ccccc1OC(F)F 1556454126 SRYYMKAKRJRRSL-QTXHJTIISA-N 445.897 4.754 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 1556575478 RMWZELRDVJYYSV-DHIUTWEWSA-N 443.996 4.983 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 1562329624 BNVQCPRONFALKA-FQEVSTJZSA-N 439.556 4.899 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](C)C(=O)NCCc1ccccc1)c1ccc(C(F)(F)F)cc1 1564406713 MDYJBDUSOKMRRO-LAUBAEHRSA-N 447.501 4.759 30 10 IJEE C=CCC1(CNC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CCCC1 1568998528 NDNSOJCFRLUOPY-UHFFFAOYSA-N 433.581 4.821 30 10 IJEE C=CCC[C@@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C)C(=O)OCC 1569186560 FOLZJDXRJLONTE-OAHLLOKOSA-N 426.460 4.765 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1cnn(Cc2cc(F)ccc2Cl)c1 1584434872 ICGZGKKOLUPAMC-UHFFFAOYSA-N 433.668 4.610 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C 1584443444 QOAKIYSUXORGLW-RLFYNMQTSA-N 449.368 4.771 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccc(Br)cc1 1584707821 GKPZBCKQNGCLCC-SFHVURJKSA-N 437.293 4.707 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1OC 1586569265 ZCFIZUMDAPSBGY-POHAHGRESA-N 425.435 4.591 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1csc(-c2ccco2)n1 1587667225 FNNKUQPMHMUFAF-SFHVURJKSA-N 447.564 4.697 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2cccn2)CC1 1587808072 NEWIIHIFVBEELU-QFIPXVFZSA-N 446.599 4.561 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H]2CCc3c2ccc(F)c3Br)c(OC)c1 1587840310 HEFZEUVRDIENPK-KRWDZBQOSA-N 434.305 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1589514168 DMFJJDBJNUZOQB-CDMIOBSGSA-N 439.510 4.797 30 10 IJEE CC(C)n1cc(Br)cc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1593777564 AEIVWTXFKJSPNC-UHFFFAOYSA-N 425.176 4.530 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCN2CC)CC1 1594013162 CPRDYWGORINFSY-FPOVZHCZSA-N 427.568 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(CC)C1 1594461562 ULPSEQQFVDTIIQ-HXUWFJFHSA-N 436.398 4.643 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@@H](C)[C@H]1C)c1ccccc1 1594552935 UGXKJNASBXOHCS-RZUBCFFCSA-N 433.625 4.954 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H](C)c1ncc(C)s1 1595239417 JRQFPVVIALSGLJ-SFHVURJKSA-N 445.596 4.539 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1Cc2cccc(Br)c2C1 1595877781 AGWQXLRXQCHVEG-SFHVURJKSA-N 449.418 4.722 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)c1 1598014478 YRLVUGXDVBJJJS-UHFFFAOYSA-N 429.541 4.566 30 10 IJEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2nc(C)cs2)C1 1614193586 AEZHQFPQRHXJLY-SJLPKXTDSA-N 436.585 4.534 30 10 IJEE C=CCN(CCc1ccccc1)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1615367531 ZLAPUMDBPZGAPJ-LJQANCHMSA-N 438.527 4.520 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1 1616874435 QQXSIKJUJBMOMX-DEOSSOPVSA-N 428.532 4.587 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)c(Br)cc1C 1621676332 WMONGGRLWSECRG-UHFFFAOYSA-N 444.778 4.796 30 10 IJEE COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@H]1CCCO1 1623163811 FXTDVUVSHDTHRT-AZUAARDMSA-N 449.429 4.685 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1625182565 QVLKPJIFBYYXDG-QGZVFWFLSA-N 431.558 4.671 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cccc(Br)c1 1626140662 DSXNOAHIPHFBQR-XJKSGUPXSA-N 445.785 4.532 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1Oc1ccc(C)cc1 1626473884 OBMWPYVNYUIGQK-JOCHJYFZSA-N 436.552 4.753 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC)c2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1626786941 PAZFLRZNHKMQQV-UHFFFAOYSA-N 437.540 4.715 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 1627379289 PRZHZWLFAMPIRB-RDTXWAMCSA-N 445.560 4.742 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1 1627465665 PSFUAASTJVCUTQ-UHFFFAOYSA-N 431.492 4.923 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 1628632175 JABURFFVCSZBFS-OAQYLSRUSA-N 425.960 4.935 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1629242527 HSPBQHLJHSFJLY-VFNWGFHPSA-N 434.508 4.630 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cc21 1639693413 BDWYLYPYIXAROH-INIZCTEOSA-N 429.307 4.521 30 10 IJEE Cc1cc2c(NC(=O)c3ccc(Br)cc3Br)n[nH]c2cc1C#N 1639802712 BFHMLGLSEFVPHD-UHFFFAOYSA-N 434.091 4.520 30 10 IJEE CCOCc1ccccc1CNC(=O)CN(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 1642141517 ACXUSXVTOYTBFV-UHFFFAOYSA-N 445.538 4.865 30 10 IJEE CCCOc1ccc(CNC(=O)CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc1 1643522743 CRVUPVHCEXBPHR-QGZVFWFLSA-N 433.474 4.525 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@](CC)(C(=O)OC(C)(C)C)C2)cc1OC 1653032718 HHOMUGDHOCJGRJ-CVJKAFSHSA-N 429.557 4.634 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccc(F)cc2F)C2CC2)n(C2CCCC2)c1C 1653172514 HTWHETNVKHWDSH-UHFFFAOYSA-N 426.511 4.973 30 10 IJEE N#CCc1ccccc1S(=O)(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 1653389625 BQSFFOCGWVZKOU-NRFANRHFSA-N 449.963 4.998 30 10 IJEE COc1cc(CN2CCC(c3nc(C)c(C)[nH]3)CC2)ccc1OCc1cccc(C#N)c1 1655610563 BWCGLEHTSVJXMO-UHFFFAOYSA-N 430.552 4.865 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1OC 1656037103 LYDRRCHTMJBSNY-OALUTQOASA-N 445.003 4.812 30 10 IJEE C[C@H](NC[C@H](O)c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 1658157873 BSCJIVZBYURYCF-DJJJIMSYSA-N 428.355 4.828 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc2nc(O)oc2c1)c1ccc(C(F)(F)F)cc1 1662981257 XAOYTHPPLKXVFV-HNNXBMFYSA-N 426.416 4.538 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Oc2cc(F)cc(F)c2)nc1 1663746257 SOXUUPVRZSNURX-UHFFFAOYSA-N 429.423 4.848 30 10 IJEE N#Cc1ccc(OC2CCN(Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC2)c(F)c1 1664648559 IEBICVSGTUDLSE-UHFFFAOYSA-N 446.313 4.628 30 10 IJEE COc1cc(C#N)ccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1668543869 BPICUGAPUPKAOZ-UHFFFAOYSA-N 441.466 4.880 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)cc(OC)c1OC 1671205818 XRPCGXQTROIGSP-UHFFFAOYSA-N 444.944 4.926 30 10 IJEE N#Cc1cc(F)cc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)c1 1672406681 DYSOYDZENYCZSI-UHFFFAOYSA-N 438.503 4.915 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br 1672906457 ASAMRSKUOOJHHI-QHAWAJNXSA-N 429.358 4.914 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1 1672951676 DLLGYTNSSZPUKQ-QHCPKHFHSA-N 446.469 4.904 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1673768682 DTXRGEUWMGHCER-GOSISDBHSA-N 433.277 4.588 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1681783537 MFOFAYYCWZWXAY-MDYRTPRTSA-N 437.531 4.774 30 10 IJEE C=CCCCCCCCNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 1681790906 PFWCLOAVXIJZAJ-WOJBJXKFSA-N 439.522 4.759 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1cncc(Br)c1)c1ccc(Cl)cc1F 1682366391 FHBUCYINPAENDC-ZWKOTPCHSA-N 436.712 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1689841796 OBZUDWXQDOXUTL-OXJNMPFZSA-N 430.618 4.588 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](c2ccco2)C1 1690306510 WEBGQRWCSDBCFW-INIZCTEOSA-N 430.911 4.917 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCC1)c1ccccc1 1690322388 CWDIGZFROFSQBW-UHFFFAOYSA-N 426.362 4.985 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCC[C@@H](C)C2)CC1 1690398712 FHRIJZYOTLVLPP-UXHICEINSA-N 441.595 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C)C1 1690440001 VCIXUHWXGXAWAU-HDICACEKSA-N 430.618 4.795 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C 1690465263 WESIQLYVDGRAGV-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCC(F)(F)C2)C1 1690712343 SZJIQHBWVBDYJE-UYAOXDASSA-N 446.542 4.636 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1690750428 JHMIYVIWBJVNBD-QGZVFWFLSA-N 428.533 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCC[C@H]1C 1705506009 QLSCTXLESYMLLC-RBUKOAKNSA-N 446.064 4.946 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCO[C@H]1CCCC[C@H]1C 1705558217 NNFYUBGRTSBLES-XLIONFOSSA-N 433.021 4.889 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C2CC2)cs1 1705607841 SEFLKPCRCVATMZ-UHFFFAOYSA-N 442.386 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCCSC 1705677120 BSCVNJOUDKROMJ-HXUWFJFHSA-N 439.412 4.909 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)CC1CCC1 1705696736 IMIRQTZJTZGJEI-AUSIDOKSSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1705771423 SFYFAWNPVCYAHK-UHFFFAOYSA-N 443.473 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2F)CC1 1705790203 MRPJZEKNEXHARA-UHFFFAOYSA-N 438.526 4.547 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCOC1 1705803045 CRILADBWXIPDGM-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC2CCCC2)CC1 1705814210 HKNQLLGQVSPXDL-UHFFFAOYSA-N 425.533 4.748 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CCCc1ccnc(C(C)(C)C)n1 1705838772 AWSUIZIWSQKEKE-UHFFFAOYSA-N 441.583 4.836 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1C[C@@](C)(O)c1cc(C)oc1C 1705870634 MCAPQDNMQNVMJQ-RUZDIDTESA-N 432.524 4.987 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CC(C)(C)OC(C)(C)C2)cc1 1705911172 AMENJUIRRHGEKJ-OAQYLSRUSA-N 440.588 4.527 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705948746 DPGYYVZXQYVGMM-FQEVSTJZSA-N 448.608 4.699 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[C@@H](C)N2CCCCC2)c2ccccc2n1 1707251164 DEVRCBULBIUNAD-NHCUHLMSSA-N 445.615 4.805 30 10 IJEE CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1708772955 HBYZGHHENBVSSJ-QWFCFKBJSA-N 445.011 4.542 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1ccco1)N(CC)CC 1722344622 ZRIOKHBTPNFKDI-QHCPKHFHSA-N 442.567 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCCOC1CCCCC1 1722394339 VKVXXKUYQFXURC-UHFFFAOYSA-N 441.579 4.696 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC)CC1CC1 1722452936 UEXWFRCCPSSRKL-UHFFFAOYSA-N 437.638 4.980 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCN1CCC[C@H]1C 1722501803 KOAGLKPDHMQODL-OAHLLOKOSA-N 438.439 4.656 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C)[C@H]1C 1722501888 RALHJWJEHYOHHI-LVBDUCALSA-N 442.629 4.795 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(COC)CCC2)CC1 1722574672 PNQWAKORLNTDOF-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2=CCCOC2)CC1 1722576824 UXXRGODHOIREAX-UHFFFAOYSA-N 443.389 4.765 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1722581145 LMVYQJFYJYPSJP-INIZCTEOSA-N 449.049 4.844 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1722610823 DMKCWBVCIHBJNY-YJBOKZPZSA-N 431.462 4.616 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCCCC1)C1CC1 1722646698 LFOOZJDXVPLOCQ-GOSISDBHSA-N 428.552 4.797 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CC1CCC(F)(F)CC1 1722660203 OYPFNLHGIMAZSE-UHFFFAOYSA-N 444.505 4.836 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)C)n1CC(F)(F)Br 1722675431 MMWYTCWSFXRLFE-UHFFFAOYSA-N 427.337 4.699 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOc1ccccc1OC 1722683826 XDQUIWVZHSLJNZ-UHFFFAOYSA-N 438.597 4.985 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C(C)C)C(C)C 1740541254 VUEDFBZOTXLTTM-GOSISDBHSA-N 446.437 4.593 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1740557870 RGWHUDJUSKPPQS-VQIMIIECSA-N 449.624 4.561 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1740570695 IHULOXIENAHKFI-QHCPKHFHSA-N 445.567 4.811 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[C@H]2C)CC1 1740819439 QSQILICTPAAGDP-MSOLQXFVSA-N 426.561 4.564 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1740861092 AKPHVYMBJBZODP-UHFFFAOYSA-N 449.584 4.742 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740870219 KELGAOKRGNLYAE-BEFAXECRSA-N 449.393 4.544 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1740947547 JZJADNVDKMGIOS-TZIWHRDSSA-N 428.024 4.799 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(CN2CCCCC2)cc1 1741132243 GPNQUVNBPWHACF-OAQYLSRUSA-N 434.632 4.641 30 10 IJEE CCCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1 1745631251 AOCURZXIHXOWFV-OAQYLSRUSA-N 425.602 4.641 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1748738904 SOKPKUFGAYDNBI-HXUWFJFHSA-N 442.629 4.876 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1748760900 IWWDFIWLEQSKCQ-SFTDATJTSA-N 442.991 4.708 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1(CC)CCC1 1748879647 AAIWVIMXCQGOAK-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccsc1)N(C)C 1748918076 WBIGVYUBYATCPI-IBGZPJMESA-N 431.968 4.562 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(OC(C)C)CC1 1749021809 ARUAPPMKSKCHHQ-JOCHJYFZSA-N 426.630 4.580 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@@H](C)C1 1749029247 PCLVUYNTRCCJGE-HZPDHXFCSA-N 433.419 4.556 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H]1CCCO1 1749085253 ADCCCZYBZQEQNI-ZWKOTPCHSA-N 449.393 4.559 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H](C)N2CCCCC2)CC1 1749315883 AXFQBOXETOGUHI-YPAWHYETSA-N 429.653 4.618 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1749398859 UQKYZYPXAAYZQN-LJQANCHMSA-N 441.624 4.682 30 10 IJEE C=CCN(c1nnc([C@H]2CCCOC2)n1C[C@H](F)c1ccc(Br)cc1)C1CC1 1749517469 OMGYYPJRYWXDRQ-LPHOPBHVSA-N 449.368 4.800 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(C)CCCO1)C1CC1 1749527589 JPNSTKWVKKRPKV-NRFANRHFSA-N 437.371 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1749548778 JIRBSEWRQMOCAS-NQIIRXRSSA-N 427.643 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(COC)CCCCC1 1749561219 JLSLRVDRMMYMNW-UHFFFAOYSA-N 448.409 4.811 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 1749758042 IEKCALRMCVKHOZ-AWEZNQCLSA-N 446.489 4.845 30 10 IJEE Cc1ncsc1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1751345037 DUWKJXSYGXITLE-NRFANRHFSA-N 444.967 4.875 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCCN1CCC(C)CC1 1760097283 CJDMHTVUXXHDOQ-RTWAWAEBSA-N 441.595 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)c1ncc(C)s1 1760110562 FCFZCKIHNAAXPM-CVEARBPZSA-N 432.553 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[C@H](OCC)C1CCCC1 1760115266 CBUUEDNHPQIARX-JTSKRJEESA-N 430.543 4.590 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@](C)(CC)C1 1760132635 LNCXIKZZHPGOTE-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CC1CCC(F)(F)CC1 1760221853 NJDLCFJWMBNILQ-UHFFFAOYSA-N 435.522 4.570 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCCC1(C)C 1760226336 CKHMIIBUVFHNAC-OSPHWJPCSA-N 426.630 4.532 30 10 IJEE C=C(Br)Cn1c(N(C)C2CCN(Cc3ccccc3)CC2)nnc1C(C)(C)C 1760313715 DUMCVIAAXVYEHP-UHFFFAOYSA-N 446.437 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCOC1 1760331988 RMZWHEQUBGODPP-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760369836 XRJOSSBRGTWAKQ-UHFFFAOYSA-N 443.260 4.587 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1oc(CC)nc1C 1760490659 FUIQNPAZGNNSJI-UHFFFAOYSA-N 428.540 4.887 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](C1CCCCC1)N(C)C 1760498023 BVURLWRBAWIXNZ-JOCHJYFZSA-N 427.637 4.914 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1760507042 BLRJCFYPIPCBKD-GFCCVEGCSA-N 436.304 4.708 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C)N2CCCCC2)C1 1760539411 NUGRBDSAPKMYBX-SIKLNZKXSA-N 444.023 4.644 30 10 IJEE CCC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@](F)(C#N)C1)OC 1763886442 FWWYEJYIFUKERK-CYFREDJKSA-N 443.567 4.546 30 10 IJEE N#Cc1cccc(C(=O)N2CCOc3ccc(NC(=O)c4c(F)cccc4Cl)cc32)c1 1858452618 FOQAVWCRJXGOBZ-UHFFFAOYSA-N 435.842 4.642 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OCC 1860728682 SFUPMPDJYFQQFA-VZUCSPMQSA-N 437.414 4.994 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 1862099059 UINRWPIEGUBNCQ-GOSISDBHSA-N 444.579 4.846 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(Cl)c1 1862380397 BLOVTOBYLPNZBQ-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2OC)c1 1862474799 VLYMSTKMOGTSBD-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480713 MREQSARCBCNZQW-MGPUTAFESA-N 429.875 4.545 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OC)cc1 1862524820 ONFKFNHKYZUABK-ORAYPTAESA-N 444.325 4.835 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)cc1 1862535519 DVKDAUFPLRTCHY-TZIWHRDSSA-N 425.912 4.660 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862539849 ZMDZTZUNXMWHHD-OAQYLSRUSA-N 438.480 4.631 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862559073 GWDMZXSMXWUAGJ-QHCPKHFHSA-N 446.478 4.585 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862583770 JRLAYROHHAUKCX-IBGZPJMESA-N 445.302 4.699 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862643176 MBMXNMCYITZBBY-GOSISDBHSA-N 437.389 4.841 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 1862659721 CWRNCXUFJVXXHP-XMMPIXPASA-N 443.547 4.984 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)c1 1862703266 SKNBLCATUICXMJ-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CSCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866999479 GMTANUHOYSRCBR-RTWAWAEBSA-N 441.984 4.582 30 10 IJEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CSCCc1nc2ccccc2[nH]1 1870270514 RQELSOKTOLDTTN-UHFFFAOYSA-N 431.561 4.966 30 10 IJEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CNc2ccccc2)cc1=O 1870811602 CBAUGSXOBLMYMR-RUZDIDTESA-N 429.564 4.862 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871225557 DYZUEJSDVJYVPQ-UHFFFAOYSA-N 444.535 4.761 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)c1 1871456973 HSTVGTMPJTYFOD-MSXFZWOLSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(N(C)C)c1)S(=O)(=O)c1ccccc1 1872190575 QPICJCOHRWYWLI-QHCPKHFHSA-N 443.613 4.517 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872403836 XHWGRZRLUJIFPE-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(C[C@H]2CCCO2)C1=O 1873102320 NMLMKUMELCLMNV-OAQYLSRUSA-N 426.601 4.984 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccc(Cl)c2Cl)C(=O)N(Cc2cccnc2)C1=O 1873334711 WEEFZPHHGYNMRL-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N(CCC)CCC)ncnc21 1873594627 YFVXDVJZTDAMSV-UHFFFAOYSA-N 433.600 4.996 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1sccc1C 1874237343 CZXBYSHKWODBPG-WSDLNYQXSA-N 428.583 4.806 30 10 IJEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874317187 GHRZSNVELSSGID-WGOQTCKBSA-N 435.528 4.931 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc(F)c1 1874437243 RGTYKBARIDJUQI-DHRITJCHSA-N 443.523 4.758 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)cc1OC 1874512182 KXLSNRQGYYAYML-WSDLNYQXSA-N 441.513 4.501 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccccc1Cl)c1ccccc1 1874523279 JCBADKHMGQTRNE-GMJSKMFWSA-N 439.972 4.661 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2)c(OC)c1OC 1874592490 MNZFWGIYKREIOY-FYWRMAATSA-N 447.487 4.626 30 10 IJEE O=C(Nc1cc(F)cc(C(F)(F)F)c1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889403387 DXRGGSDKVLVAAA-ZDUSSCGKSA-N 436.331 4.659 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 1912202943 NLKRGOFWOLHXKC-KSFYIVLOSA-N 448.568 4.901 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]2CCCC[C@@H]21 2009368876 JYAHUPIYJQEYLV-XFQAVAEZSA-N 434.541 4.606 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CCCB2OC(C)(C)C(C)(C)O2)CC2CCCCC2)C1 2044527980 JVWWXDIFQOHXIY-UHFFFAOYSA-N 436.446 4.970 30 10 IJEE C#CCN[C@@H](C(=O)OCC)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071356514 PCKLDFZJGKCLNF-AREMUKBSSA-N 429.516 4.672 30 10 IJEE C=C(I)COc1c(Br)cc(Cl)cc1CNC(C)C 2077483446 OTTKMNAHLFXBHV-UHFFFAOYSA-N 444.538 4.928 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(F)ccc2Br)NC)C1 2126686171 XPZIONVTROCAFN-KRWDZBQOSA-N 427.358 4.580 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)nc(CCC)n1 2137397506 RLTSXALBCCAMLM-LJQANCHMSA-N 428.371 4.678 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 2145543794 JURVNYPTCBKJMP-IRXDYDNUSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(C[C@H](O)c1ccccc1Br)C2 2169738303 XSPSDRSZDIRTRK-MPGHIAIKSA-N 435.362 4.944 30 10 IJEE C[C@@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)cc2C#N)C1 2181142728 ZNGZZZHEKRKQKB-XCLFUZPHSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN2c2cc(Br)cc(F)c2C#N)C1 2182068846 JJJOYPOEFKZIMB-HXUWFJFHSA-N 438.341 4.830 30 10 IJEE N#Cc1cc(F)c(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1Br 2193226774 YZYVNYOUVVHZQP-KBXCAEBGSA-N 442.254 4.935 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2213312497 AVHLBQMEPQZOEP-NVQXNPDNSA-N 428.617 4.858 30 10 IJEE CC[C@H](C)[C@H]1CSC(=Nc2ccc(Br)cc2I)N1 2223680187 ZNWOJGJWLVMERM-QPUJVOFHSA-N 439.160 4.792 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1(CCNC(=O)OC(C)(C)C)CCC1 2235748183 XIXBUPAFUFZVGU-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CN(C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C#N 2243910281 GJBCGKWEVXEFJR-UHFFFAOYSA-N 439.515 4.840 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Cl)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2252754793 QMNMAZPDQKGTAK-GOTSBHOMSA-N 442.987 4.780 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2257345272 YJZPGACXPLVNEE-GEYWLOKFSA-N 448.568 4.900 30 10 IJEE COCC#C[C@@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2262325988 CQFZFNVYLBQDEO-RUZDIDTESA-N 431.532 4.511 30 10 IJEE CC1(C)OB(c2ccnc(Oc3ccc(Br)c(Cl)c3)c2F)OC1(C)C 2266002542 JTGLSOJJWSAXAS-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE Cc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1B1OC(C)(C)C(C)(C)O1 2267235522 LLNZQWBFIYTGTR-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(F)c(F)c(Br)c(F)c1F 2267840561 DIUDXLFGAJHSNM-ANRSDYALSA-N 441.263 4.865 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268631490 YZINPDBLRPNVAT-IBGZPJMESA-N 442.365 4.792 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268638815 KMYTXAIDUPVQLC-GOSISDBHSA-N 446.328 4.623 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296215715 CXVNPDIWFZUHDI-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1 2296226452 RMJCGIVVIGDMBE-FQEVSTJZSA-N 429.900 4.579 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@H](O)C#Cc1ccc(Br)cc1)c1ccccc1 2296272695 LVMKAFJZKSXJOW-UXHICEINSA-N 430.342 4.818 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCC[C@@H]1NC(=O)OC(C)(C)C 2296279368 OFQNLGHOUBDYBP-XQBPLPMBSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2296308520 JPLGTXNXAAGWEG-DENIHFKCSA-N 435.406 4.672 30 10 IJEE Cc1cccc(C(=O)N2CCN(c3oc(C=Cc4ccc(Cl)cc4)nc3C#N)CC2)c1 2296746656 IOSMNFYDAXKXDX-UHFFFAOYSA-N 432.911 4.641 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccs3)ccc2O1 2297742395 JOPBGYFRAMTGQV-QMHKHESXSA-N 445.540 4.736 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2306524414 VBADMTRYSMUWOE-HDTAIWHDSA-N 428.573 4.601 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3cc(Br)c(Cl)s3)C2)OC1(C)C 2319680913 VECVFIZZRIZUSL-INIZCTEOSA-N 434.592 4.862 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2321119886 JZJSVPWGMSAKLA-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2C(C)C)cc1C 2321762192 CVTVSYLYIQQZEG-UHFFFAOYSA-N 432.553 4.742 30 10 IJEE O=C(COc1ccc(Br)cc1C=CC(=O)c1ccccc1)NCc1ccco1 2322542562 JKQSOLJHVWWXMJ-UHFFFAOYSA-N 440.293 4.633 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)C(=O)Nc1ccccc1 2324398474 QZKUDCNNRIITBM-HNNXBMFYSA-N 430.416 4.617 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)cc1OC 2325511711 OURZFLXVWHGCDR-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1OC 2325649374 XPJJRFJJQDAVJL-UHFFFAOYSA-N 436.552 4.941 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2ccccc2OCC=C)nnc1SC 2326421985 CAUUNQSTSHQMCN-UHFFFAOYSA-N 436.537 4.591 30 10 IJEE OCCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1Cl 2327985556 BEEGHYWWQCDWLN-UHFFFAOYSA-N 435.380 4.727 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccn2)c1C 2330632468 XWZHVILIABNZFY-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)cc1O 2331232310 IGOXMFUDJGEDHN-UHFFFAOYSA-N 444.875 4.916 30 10 IJEE C=C(C)CSc1nnc(CCC)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331651969 LZTNCINGVAOOKH-UHFFFAOYSA-N 439.379 4.648 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OC(=O)COC 2331832098 FZHISKYQDJMOEC-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339536495 LGSHZJMBUBBBEM-DEOSSOPVSA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]1C(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339575652 AOEJKBOYFMCCPN-GOSISDBHSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@H](O)C#Cc3ccccc3Br)(C2)C1 2358671843 OEJSFXTXUPMZDO-ZWDAVXSWSA-N 434.374 4.589 30 10 IJEE C[C@H](O)c1ccc(C#N)cc1Oc1cc(Br)cc(I)c1 2364004387 KLSGOVNNWNBTEK-VIFPVBQESA-N 444.066 4.771 30 10 IJEE CC1(C)C[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CCN1Cc1ccccc1 2364748777 SFXYAJAZHRWEJK-QHCPKHFHSA-N 445.416 4.713 30 10 IJEE COc1ccc(Cl)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(C#N)cc3)nc12 10526200 QDBOKLVHMIHRMQ-OAHLLOKOSA-N 427.913 4.656 30 10 IJEE CCc1ccccc1N/C(=N\C(=O)c1cccc(Cl)c1)NCCc1c(C)nn(C)c1C 32973649 SMVXJGNPBNLYEA-UHFFFAOYSA-N 437.975 4.693 30 10 IJEE Cc1nnc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@H]2c2ccc(Cl)cc2)s1 35421014 QWEOCIHEKPOVNG-XCJXAGMVSA-N 437.908 4.682 30 10 IJEE Cc1c(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(O)n(CCc2ccccc2)c(=O)c1C#N 38619932 ZXITVHBTFNQKNL-LPHOPBHVSA-N 445.346 4.751 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)cc1OC 41289396 SYOUYBGLUYUHKU-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)cc1OC 41587055 BSLCHWNTSKZKHO-MSXFZWOLSA-N 443.499 4.981 30 10 IJEE COc1ccccc1/N=C1\S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1C 58945811 AXCJOCINWMQDAZ-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE N#CCCN(Cc1cccnc1)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 71835718 ANUBYFHJCYCLDC-VAWYXSNFSA-N 439.544 4.951 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)/C=C1/NCCc2cc3c(cc21)OCCCO3 102601709 MUACAIZAHBBQCU-RNEAKCBISA-N 434.319 4.678 30 10 IJEE CCCCOc1ccc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1OCC 169913617 OYAZQBJXTFNLFB-IWIPYMOSSA-N 428.533 4.757 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)cc1 170171730 VHNCASJXGUWSPE-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(O)c2)cc1 170385457 JASUUEHIOIDOMH-JOCHJYFZSA-N 433.460 4.803 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170414780 QIALCSWKTSNKDB-QHCPKHFHSA-N 434.580 4.904 30 10 IJEE COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(C)C1=O 252643804 ZXBNHEXWUMRTNU-GOSISDBHSA-N 431.945 4.556 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 460945063 UGYFZPUIVODTHG-OAQYLSRUSA-N 434.540 4.889 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 476161216 QUJYQQIXWVRGHK-NRFANRHFSA-N 440.609 4.886 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1cc(Br)ccc1Br)CCCC2 484150176 VEJGVLUNXVFFQD-UHFFFAOYSA-N 435.119 4.609 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1Cl 500996534 KNOPJQUGUUPOAT-KRWDZBQOSA-N 448.914 4.599 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 503619075 RQPFGMFFPQOPGY-NRFANRHFSA-N 433.430 4.968 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(C(=O)c2cc3ccccc3s2)CC1 508738529 GTGNLZBTDOHSMZ-UHFFFAOYSA-N 447.564 4.518 30 10 IJEE Cc1cc(C)cc(CSc2nnc(C)n2/N=C\c2ccc(O)c(Br)c2)c1 526809848 PHWJDZKAIAWAOJ-FBHDLOMBSA-N 431.359 4.846 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 563845965 WUVLVXJQVOOVRL-QFIPXVFZSA-N 439.567 4.596 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3ccccc3OCc3ccccc3)c2F)OC1(C)C 690081056 CGPZOYPJFUFZBC-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C(=O)OCC(=O)c1ccc(C#N)cc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 754344912 SUFDTTQLRDBJEB-RUZDIDTESA-N 443.499 4.623 30 10 IJEE C#CC[C@@H](NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)c1ccccc1 760853719 NYOGKZRJKIEOLF-YAECTWJJSA-N 447.531 4.529 30 10 IJEE Cc1cc2oc(=O)cc(COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2cc1C(C)C 780175139 AAECXOYWGYUORJ-XMMPIXPASA-N 427.497 4.530 30 10 IJEE C=CCn1c(SC[C@@H](O)c2ccc(F)cn2)nc2scc(-c3cccs3)c2c1=O 799606828 OOMKGIJMJMGVFR-OAHLLOKOSA-N 445.566 4.732 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 804453834 KDZFJEYTUKGKEZ-JOCHJYFZSA-N 427.529 4.733 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)cc1 806229032 RRGAREMVEQUGDS-RUZDIDTESA-N 447.579 4.787 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1=S 915206439 QTXAYTHARBYLJN-OAHLLOKOSA-N 437.525 4.593 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc2nnn(C)c2c1)c1ccc(C)c(C)c1 1124536751 OXHCMOSIMQVBCH-UHFFFAOYSA-N 426.520 4.997 30 10 IJEE C#CCCOc1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)cc1 1125289559 KJFIUNUPJHJACI-NRFANRHFSA-N 428.326 4.677 30 10 IJEE C#CC[C@@]1(C(=O)N2CCCc3cc(Br)ccc32)CCCN1C(=O)OC(C)(C)C 1125319608 LCCZMAFJOJGOMR-QFIPXVFZSA-N 447.373 4.521 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1125668075 AJZGLMIQJCBKOI-DVECYGJZSA-N 430.545 4.784 30 10 IJEE C=CCCCCCCNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1128748431 NZMFPGPGJJFQCW-UHFFFAOYSA-N 442.419 4.788 30 10 IJEE C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](C)[C@@H](C)N1Cc1ccccc1 1130668305 HESZYEDHKBXHTA-PWRODBHTSA-N 443.547 4.854 30 10 IJEE C#CCN1CCC(C(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(Cl)c2)CC1 1132969281 QVDCONJEUOKAIB-UHFFFAOYSA-N 435.326 4.886 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(-n2cnnn2)cc1)c1ccc(C)c(C)c1 1136698837 YUJVWKKFVDLAKK-UHFFFAOYSA-N 439.519 4.691 30 10 IJEE C#CCN(CC(=O)N(CC)[C@H](c1ccc(Cl)cc1)c1cccnc1)C(=O)OC(C)(C)C 1144630016 KQKFYUNFZKZRRM-JOCHJYFZSA-N 441.959 4.543 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)C[C@@H](O)c2cccs2)cc1OC 1178374561 SLEDZDCATNEPPY-XJKSGUPXSA-N 426.376 4.686 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2c3ccccc3OC[C@H]2F)cc1OCC 1179579222 NAYPWDIZQNTEGL-YLJYHZDGSA-N 436.321 4.974 30 10 IJEE C=CCOc1ccc(CNC[C@@H](CO)Cc2cc(Br)ccc2F)cc1Cl 1202445160 QBWPZLTWXCPFLR-HNNXBMFYSA-N 442.756 4.747 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1203024851 JNXXRZBQVYKMPN-UHFFFAOYSA-N 432.923 4.806 30 10 IJEE COC(=O)c1cc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(C)cc1Br 1204962373 BIOVDUDOYHNVEH-CYBMUJFWSA-N 430.302 4.641 30 10 IJEE COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2cc(C#N)ccc2C)c1 1211229474 BWKFGCYJFOBZKH-NOZRDPDXSA-N 432.545 4.795 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccccc1Br 1215269433 ADTOCLGQXKDWCP-GUYCJALGSA-N 434.359 4.698 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc(OC)c1OC 1225350791 OOARBUYAOGJMNH-PKOBYXMFSA-N 445.357 4.550 30 10 IJEE C#CCN(C(=O)N[C@@H](c1cccc(C)c1)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1254041883 RAKFOOPACQZHNR-JOCHJYFZSA-N 427.589 4.736 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1264611929 AQFYNXGPRHDXJL-SANMLTNESA-N 448.519 4.637 30 10 IJEE C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1264914235 DALIJUFPKQUMFD-IBGZPJMESA-N 442.563 4.520 30 10 IJEE C#CCN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1265209309 ZJLRITOSSOJKCV-IBGZPJMESA-N 446.316 4.731 30 10 IJEE C#Cc1ccc([C@H](OC(=O)COc2ccc(C#N)c(Br)c2)C(F)(F)F)cc1 1272444986 WSKJMPZMKCQHJQ-SFHVURJKSA-N 438.199 4.528 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC/C=C\c2ccc(Br)cc2)cc1OC 1273800229 VKTRDHXZQGSIPP-CVIOMZKKSA-N 428.326 4.865 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(CC3CC3)c3cccc(C(F)(F)F)c3)cc2C1=O 1274820217 QVVYFVWMEHKKKN-UHFFFAOYSA-N 428.410 4.544 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ncc(Br)cn1 1277207587 FDUGDXLSSKLBAK-UHFFFAOYSA-N 446.120 4.781 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCSCC(F)(F)F 1286273408 DYHVYQCAEWYCRD-HNNXBMFYSA-N 433.503 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCSC1 1286273685 GEFHZTMWJBWJRL-WMZOPIPTSA-N 437.638 4.978 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286333780 NKVJBVSXMJYSLT-IBGZPJMESA-N 439.654 4.679 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H](OCC)C(C)C 1286402337 BYCHYMOILCDKQE-HXUWFJFHSA-N 433.383 4.776 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286694254 AATKOQWSZRIAPJ-YADHBBJMSA-N 448.615 4.804 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cscn1 1286708153 QGTXMTNSPXLSCE-UHFFFAOYSA-N 425.602 4.928 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1286757841 XGPGQKWEDJVQRE-BJKOFHAPSA-N 435.616 4.844 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1291767761 ZDFXZFOXXQLIIN-QFIPXVFZSA-N 430.548 4.661 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCc2cc(Br)ccc2C1 1300361278 DFMRNGDEJDVGGV-HXUWFJFHSA-N 443.389 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCCS1 1300441130 FKTJRWWRYUZIID-AWEZNQCLSA-N 439.810 4.716 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)C(C)C 1300656605 KCWXKSAGPVNRMP-GOSISDBHSA-N 428.646 4.900 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(CC)C1 1300742471 KCVITILADXMIFO-FQEVSTJZSA-N 433.419 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1300916220 VAEXFCWITLGUKO-MSOLQXFVSA-N 426.458 4.806 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1300979771 GLWKFUKSDJDWKV-FGZHOGPDSA-N 438.616 4.698 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H](C)CC 1300980564 KIEQOKPROOURES-OAHLLOKOSA-N 439.373 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cccc(CN(C)C)c1 1301359755 OLZLBAVJUQVZEB-UHFFFAOYSA-N 444.608 4.704 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCC(C)C)c2)C1 1301556308 HALXXDLIMXLQDX-JOCHJYFZSA-N 426.605 4.731 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1 1301947547 YQUBTSSCGVNAJR-PXNSSMCTSA-N 426.561 4.519 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CCCC3 1307261574 VOOQLIKCNJSYDZ-UXLLHSPISA-N 445.654 4.698 30 10 IJEE C=CCc1cc(CNc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc(OC)c1O 1308533884 SEHNJEHGFACKPK-UHFFFAOYSA-N 436.474 4.592 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1ccccc1 1312678556 LMXOAAAGWOAKJO-PMACEKPBSA-N 437.893 4.939 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)ccn1 1314584233 BXBJVXPREPGAGB-AWEZNQCLSA-N 444.967 4.889 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 1319168700 BSSGMLDZOBESEV-NHCUHLMSSA-N 441.572 4.523 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(F)cc(Br)c1C 1353829428 LTWVSVVLNKKXBJ-UHFFFAOYSA-N 437.261 4.640 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1358913100 FVRMASLBQQWGRY-DXIQSLLYSA-N 440.613 4.705 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1358923983 IKJXRDUBGQQHAD-UHFFFAOYSA-N 425.747 4.920 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCC(C)CC1 1359001212 OHINSYVHBDGKBQ-HXUWFJFHSA-N 444.023 4.653 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCNc1ncc(Cl)cc1Cl 1359002922 RVJUSPKFKJERFZ-UHFFFAOYSA-N 449.773 4.872 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@@H](C)C1 1359017982 YWZVJJHTPFDBEM-XLIONFOSSA-N 437.588 4.849 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1359162953 LTYFMVKHVWZELZ-HXUWFJFHSA-N 443.567 4.790 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)C2CCCCC2)CC1 1359179962 MMKCQFMUFKHMPK-VWLOTQADSA-N 426.580 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359186359 CZNGOBZYSNSJRQ-UHFFFAOYSA-N 447.587 4.666 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)CC 1359189526 NEHJVMHNVLOTOJ-MOPGFXCFSA-N 449.640 4.671 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](C)C1 1359213837 IWCUJWXTJMBRFW-LJQANCHMSA-N 434.588 4.829 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1359218595 OEAPNLDOYXHKSR-UHFFFAOYSA-N 448.596 4.520 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCCCC2)C1 1359222851 UNRWZNLOZCLROB-UHFFFAOYSA-N 448.409 4.789 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC1CCC(OC)CC1 1359259248 PPZJLCBXEHUBEG-UHFFFAOYSA-N 431.584 4.662 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CC1(c2ccccc2)CCOCC1 1359276114 SGLABDGKHPJSHI-UHFFFAOYSA-N 434.584 4.978 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1Cc1cccs1 1359284027 LEEYVPPHRDZUSL-OAHLLOKOSA-N 432.391 4.505 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C)c2ccc(OC)cc2)C1 1359320024 KRBXAQDCYHLPLX-UEVCKROQSA-N 440.588 4.503 30 10 IJEE CC(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 1359667707 HDJIITNAZSCOIK-GOSISDBHSA-N 447.505 4.944 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccccc1 1359799252 CJUCSOSHUMXJBN-IBGZPJMESA-N 432.973 4.959 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1Cc1csc(-c2ccco2)n1 1360478232 GNPUSYVCDCZVRO-HNNXBMFYSA-N 436.516 4.511 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](C)CC)ccc1Cl 1360515333 BXTBDLYJGIVKAC-IAGOWNOFSA-N 434.989 4.886 30 10 IJEE C=CCC1(CNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CCCC1 1460027534 RQFHCRBNYBTBQP-UHFFFAOYSA-N 433.581 4.674 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)CCCN1C(=O)OC(C)(C)C 1461597752 UAWNLXGVTJUTRN-RPBOFIJWSA-N 428.573 4.531 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1468657524 SGZBAVLFBFRIKS-GOSISDBHSA-N 435.528 4.584 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 1469272963 AHEITWIKRGYKLR-KOSHJBKYSA-N 442.519 4.670 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCSc3ccc(Br)cc32)cc1 1470253649 QEUXLQXLTHFBGU-LJQANCHMSA-N 445.382 4.888 30 10 IJEE C=C[C@H](CC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1471738984 SSIHTEQKWZIFGK-KBAYOESNSA-N 426.479 4.508 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)cc1 1476041530 IMINXYXODWSFTB-INIZCTEOSA-N 438.475 4.691 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3C[C@H]4CC[C@@H]([C@@H]3C)N4C(=O)OC(C)(C)C)cc21 1477134594 JFVIPMSIGKBKLE-XCLNPWKQSA-N 439.560 4.520 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCOc2ccc(Br)cc21 1477284628 ZKBWUKZDXRGYLJ-POSZSDEYSA-N 431.374 4.742 30 10 IJEE CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1477861540 GNNAEOMXBLEREZ-LOSJGSFVSA-N 449.551 4.510 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1478900472 LRWHQBFCPLHASO-MOPGFXCFSA-N 441.856 4.774 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 1479061362 SUVBZWWBKUZALG-QGZVFWFLSA-N 436.886 4.980 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1cccs1 1502923944 AUBKSJDDUAUKFJ-KRWDZBQOSA-N 444.564 4.918 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](SC)C(C)(C)C 1507677327 YPLBDDDAZFKIDI-FQEVSTJZSA-N 445.032 4.751 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)C[C@H](C)CC 1507796217 OBIZYJBQXOKTJH-JUXOCIIHSA-N 426.561 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H](C)CCSC 1507798113 URFNYECCQSVGDY-DSKINZAPSA-N 430.618 4.513 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1507823241 YKVSEPDLDIAFDY-OAHLLOKOSA-N 430.325 4.745 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(COC)CCOCC2)CC1 1507897355 NUVSBNPEQHBUEZ-UHFFFAOYSA-N 448.970 4.583 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507916453 QTWJWSUEAJBDRR-GOTSBHOMSA-N 443.680 4.867 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1cnccc1OC 1508002355 FRQHGYUBWPPGTB-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCCCCC1 1508012860 FVQZCHAMUJTDOR-UHFFFAOYSA-N 427.980 4.570 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1oc(CCC)nc1C 1508021210 QOLXBJORIQVIOY-WIYYLYMNSA-N 427.593 4.672 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCS1 1508037978 PFFFPOBHUHWMRE-SFHVURJKSA-N 432.659 4.810 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(OC(C)(C)C)CC2)cc1 1508101290 WMSALROLMIZGSH-UHFFFAOYSA-N 449.599 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC[C@H](F)C2)C1 1508114576 LCHJGPSHKDYQLS-MEZWHVQBSA-N 448.970 4.991 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCc2ccc(Cl)nc2C1 1508158975 PDWWVVURVGVJQI-UHFFFAOYSA-N 425.989 4.784 30 10 IJEE N#CCCn1ncc(C(=O)OCc2cc(F)cc(Br)c2)c1-c1ccccc1 1516091103 GXGNPQWIAGWZNF-UHFFFAOYSA-N 428.261 4.722 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 1520705573 FYNPZNJZHSKPTB-UHFFFAOYSA-N 434.805 4.892 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 1526691341 DEMUFQFRZYRPJY-AVRDEDQJSA-N 429.907 4.987 30 10 IJEE C=C(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 1527981542 PGJQABRHWSQTHN-LJQANCHMSA-N 445.357 4.845 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(OC(F)F)c(Br)c1 1528703413 HUXVUFRZVVHVEO-UHFFFAOYSA-N 446.251 4.800 30 10 IJEE C=CCSc1ccccc1C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1529224159 RJHOWWYNUAIVNE-UHFFFAOYSA-N 426.582 4.962 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)cc1OC 1530652044 OPUREMZXLVWFIG-VYHQSCSSSA-N 434.580 4.783 30 10 IJEE C#Cc1ccc(CNC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 1533825891 IAGOZERGPKLUHB-UHFFFAOYSA-N 447.332 4.542 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(CCc2ccccc2)nn1)c1ccc(C(F)(F)F)cc1 1534432815 DMEGUTOICAIOLJ-HXUWFJFHSA-N 428.458 4.977 30 10 IJEE C#CCN(C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(C)C 1535820449 UODFCOBMBBWVOP-OAHLLOKOSA-N 425.579 4.556 30 10 IJEE C=CCN(C(=O)c1cc(-c2cccc(Cl)c2)no1)[C@H](Cc1ccccc1)C(=O)OCC 1537316931 JZASVTVUZZYJRB-OAQYLSRUSA-N 438.911 4.798 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1538057693 CQJWRVPPFQBSIO-JOCHJYFZSA-N 443.934 4.794 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cccc(C(F)(F)F)n1 1539147271 FKFMJEAQSQJAIH-AWEZNQCLSA-N 449.864 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC(C)(C)C 1539639693 AZVJAFDGEGZGJD-REWPJTCUSA-N 426.605 4.883 30 10 IJEE C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C#N)c(Br)c1 1539831701 GAOGJOHFUUVICT-SECBINFHSA-N 442.082 4.628 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2c(C)sc(C)c2Br)CC1 1539842307 QKTIEXGMUIEPOO-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C=C)CC1 1539903310 WCXDJBDVPUTULS-UHFFFAOYSA-N 442.007 4.866 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1539946751 CYEKHSNOGGDMRJ-IRXDYDNUSA-N 448.036 4.548 30 10 IJEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1539976740 DAJAJYKIIWAHFJ-OAHLLOKOSA-N 431.531 4.565 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)c1nccs1 1540054790 VZVGQWCKBJADGT-ZDUSSCGKSA-N 448.390 4.599 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1540102692 QCMOYHKRDVJHTN-WOJBJXKFSA-N 437.632 4.865 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H](O)C1 1540177574 RSPICZORSSBDSL-MJGOQNOKSA-N 433.021 4.953 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 1543994124 AJEPEFLFAUYVQW-AVRDEDQJSA-N 443.378 4.619 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 1556519010 ZNBBSRKTHJFNNC-MRXNPFEDSA-N 440.893 4.999 30 10 IJEE C=C(Cl)C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)OCC 1560967873 RKCRXPQPSYEZDC-OAQYLSRUSA-N 427.907 4.842 30 10 IJEE C=CCCCCCCCNS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1561626003 MOUZLBYQHIAJFJ-UHFFFAOYSA-N 443.407 4.529 30 10 IJEE Cn1cc([C@@H]2N(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2(C)C)cn1 1562232816 BRSQVQHDBYRLFJ-QHCPKHFHSA-N 429.524 4.680 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](Cc1ccccc1)OC 1564791057 FJUVKAUIFHBRSX-LJQANCHMSA-N 435.337 4.544 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Cl)c(Br)c3)n[nH]2)c1C 1566280124 NZKHTUCDKLIIAY-UHFFFAOYSA-N 434.725 4.744 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 1567992500 YHUQUAJGUQXVKZ-VXKWHMMOSA-N 443.632 4.653 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 1583570341 CGVBXUJRUHMRSO-FQEVSTJZSA-N 438.531 4.936 30 10 IJEE C=CC[C@]1(C(=O)N(C)C[C@H](C)Cc2ccc(OC)cc2)CCCN1C(=O)OC(C)(C)C 1583923310 ZFKODBPZHVRKGU-KBMIEXCESA-N 430.589 4.678 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc2Cl)C1 1583960837 KVDZCOJCNIFUNY-GJZGRUSLSA-N 447.428 4.889 30 10 IJEE C=CCCC[C@H](C(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1)c1ccccc1 1584271770 SDXORUMPAWRBBP-SANMLTNESA-N 448.607 4.829 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1nccs1 1587883474 BSTNOBAQKYKPBC-UHFFFAOYSA-N 436.368 4.670 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncccc1C 1588084254 OWSYIJMFIMRURK-FQEVSTJZSA-N 447.970 4.513 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1588298016 QCQBECZNQDICJM-FGZHOGPDSA-N 444.627 4.711 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1oc(CC)nc1C 1588473692 RMGQBGMQDNJPTF-UHFFFAOYSA-N 433.487 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](COCc2ccccc2)C1 1589496604 YRAPDWSVCKNBDE-ONTLXTELSA-N 438.616 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cnn(CC)c1 1589614742 FHIHSPMGARPFOE-UHFFFAOYSA-N 443.393 4.683 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1589721847 FDQPCZSNAXHSER-FCHUYYIVSA-N 440.588 4.712 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1593741359 NCCVGIBXUBWLKL-QHCPKHFHSA-N 440.588 4.505 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC(OCCCOC)CC1)c1ccccc1 1593789951 WSEJQXWXXMLZIM-UHFFFAOYSA-N 426.605 4.602 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[C@H]2OC)CC1 1594218819 UMPWTTNRBJAHET-FXAWDEMLSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)CCOc1cccc(Cl)c1 1594484706 VFCGSCKROAJBHU-UHFFFAOYSA-N 426.952 4.506 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)c1ccccc1 1594534340 KFASVJQZJQHJPZ-GMKZXUHWSA-N 448.615 4.562 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1594590959 GPMQWWLDZSEMGY-OAQYLSRUSA-N 446.599 4.591 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](NC(=O)CC)C1 1594693186 SDJDVJOSHPWUHZ-MJGOQNOKSA-N 441.645 4.593 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@H](O)C1 1594855357 BNBRQZRFMCGWOB-NSHGMRRFSA-N 432.996 4.862 30 10 IJEE C=CCn1c(N(C)[C@@H](C)c2cc(F)ccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595453264 QOPLMABDANPMOK-YQQAZPJKSA-N 447.530 4.710 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)N2CCCCC2)C1 1595705637 CJVNBDRTPPPCBF-IBGZPJMESA-N 444.023 4.644 30 10 IJEE C#CCN(C(=O)c1cc2c(Cl)cccc2nc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1596147626 XWFITCMRARHUCR-UHFFFAOYSA-N 441.959 4.672 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCOC1 1611748007 GCTDGQMENZRZKY-YZZKKUAISA-N 443.979 4.628 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOc2ccc(F)c(Cl)c2)o1 1612034317 BCNQOJWAZMHQEO-JOCHJYFZSA-N 443.910 4.848 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2nc(C(C)(C)C)cs2)cc1 1612123753 IBIIUFKCAGFQLS-KRWDZBQOSA-N 438.601 4.564 30 10 IJEE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1618147119 BMMBKBSJIMHKLA-IBGZPJMESA-N 427.570 4.842 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(CC)(CC)c2ccc(F)cc2)cc1 1622886322 BBNPBJVDXQNKLQ-UHFFFAOYSA-N 447.576 4.512 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 1623402994 UVHADEKDXYOALO-IUODEOHRSA-N 436.858 4.798 30 10 IJEE C#CCN(CC(=O)N1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1)C(=O)OC(C)(C)C 1623859409 ZOPVHNGSAIKGGE-UKILVPOCSA-N 448.563 4.623 30 10 IJEE C#CCN(C(=O)Nc1cc(C)nc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1627702981 XQZGKKHPTOMEFS-MRXNPFEDSA-N 434.721 4.797 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1 1628205986 KUMLCNWPSHKCEJ-YOEHRIQHSA-N 425.367 4.876 30 10 IJEE C=CCC1(NC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CCCC1 1632475045 GZUGFRLDDBVXPJ-NRFANRHFSA-N 448.535 4.646 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 1636552971 WNYXESRITWBGMH-FQEVSTJZSA-N 435.877 4.561 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)c1 1637514006 IPXFMPRBZNVUOR-UHFFFAOYSA-N 440.471 4.758 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 1638064588 HZJBMIIDRCYUID-RXVVDRJESA-N 440.609 4.989 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1c[nH]c2ccc(Br)cc12 1638103210 DAZFBNLCMJVRDK-UHFFFAOYSA-N 437.297 4.933 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccco1)c1ccccc1OC 1638272876 GUFCXHMZQTYSGQ-NQIIRXRSSA-N 428.529 4.743 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c1 1648439143 PWPKNDBWONCNMX-UHFFFAOYSA-N 425.337 4.720 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)c1C 1653313218 CBWQOJDEMKXQDB-UHFFFAOYSA-N 442.441 4.939 30 10 IJEE C#C[C@@H]1CCCCN1CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OCC 1656426081 HNJANZFILJNZTB-OAHLLOKOSA-N 430.957 4.671 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1 1659036283 GROIQXURJQEQGR-LJQANCHMSA-N 435.515 4.557 30 10 IJEE CCOC(=O)c1oc2ccc(S(=O)(=O)N(CC)[C@H](C)c3ccc(C#N)cc3)cc2c1C 1659553086 BXFRDPWMYRRLIS-MRXNPFEDSA-N 440.521 4.561 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)c1 1661347817 KDOKFPIAROXLTH-UHFFFAOYSA-N 440.908 4.933 30 10 IJEE CCCN([C@H]1C[C@@H](OCC)C12CCCC2)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1662239916 GNMUYROFKGHVMO-RBUKOAKNSA-N 444.519 4.716 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](n2cccn2)C(F)(F)F)cc1OCC 1662950373 HJXIKPBFDKFCLU-INIZCTEOSA-N 448.283 4.502 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)c1ccc(Cl)cc1F 1663868954 XHSHYYCCLXBDOK-CQSZACIVSA-N 437.117 4.548 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)cc1 1667593606 IYTNOZZMSWOBSY-KRWDZBQOSA-N 437.849 4.691 30 10 IJEE CCCc1c(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cnn1-c1cccc(C#N)c1 1668964126 CLVGNFQVFQSOQS-LJQANCHMSA-N 448.958 4.750 30 10 IJEE COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(OC)cc1 1669147514 CDSAVXMOURSFSS-JOCHJYFZSA-N 445.475 4.785 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCC[C@H](O)C3CCCC3)cc2Cl)c1 1674192734 FYXCTYBDAAKVNW-NRFANRHFSA-N 427.932 4.853 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 1679513030 VYOVGHKQAVWAME-UHFFFAOYSA-N 435.543 4.786 30 10 IJEE C=CCOCCNC(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(C)cc1 1684155415 CSDLRTDYZVALNG-UHFFFAOYSA-N 433.346 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1cccs1 1689839002 BNDQIZFJWFWBMY-ZDUSSCGKSA-N 433.350 4.609 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)(C)CC1 1689938296 HGQGUTAWXZTAAV-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)OCC 1690054744 FUQJYUNGSRENQI-UHFFFAOYSA-N 431.005 4.502 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCCCC1 1690162006 YDHIFFPOZYWQSX-UHFFFAOYSA-N 433.419 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(Cl)=C(Cl)C1 1690250944 NIBVUNWCGKHJHU-KXBFYZLASA-N 439.412 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CC1(c2ccccc2C)CCOCC1 1690261579 RGDVURNSXBRKEL-UHFFFAOYSA-N 431.584 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCn2cc(C)nc21 1690270168 WBWZLBWEXOLXFH-JOCHJYFZSA-N 448.615 4.557 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1690419518 UXRHERYNMGLGAH-IRXDYDNUSA-N 429.996 4.699 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1690420621 QJSUVBUDKVGYOE-QGZVFWFLSA-N 438.563 4.620 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC1(C)CCOCC1)C1CC1 1690539954 SPGNIUYWEABRKW-UHFFFAOYSA-N 437.407 4.741 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@@H]1C 1690576013 KKIWXSDNLNREKR-WMZOPIPTSA-N 444.004 4.920 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCSC1(C)C 1690620360 ZABJSRXBAYNROH-SFHVURJKSA-N 439.629 4.607 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccoc2CC(C)(C)C1 1690653626 YZBYTRWUMVYNQF-SFHVURJKSA-N 441.576 4.718 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCO[C@H](C)C1 1695729246 HDUMHKFZSJPXNT-QUCCMNQESA-N 435.597 4.762 30 10 IJEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)C1CCCCC1 1696726228 HMKUORDQSKJYJL-UHFFFAOYSA-N 449.628 4.564 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(C)CCCO1 1705477902 UANVVWQQHYIXMC-YZZKKUAISA-N 430.980 4.715 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1ccc(Cl)s1 1705479522 JNZZDZRIPNADGW-HNNXBMFYSA-N 436.972 4.751 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1ncc(C)s1 1705481091 ZOPLWPNXCMZVNK-KBPBESRZSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1705507856 FRVHAJXIKQMANR-LJQANCHMSA-N 431.378 4.545 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705510448 PYRWWHFQHOFAMB-PZJWPPBQSA-N 440.563 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1csc2ccccc12 1705603579 QPSAOARLUFNDSG-FYYLOGMGSA-N 446.620 4.923 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C)(C#N)CC1 1705654772 SQGMIYDKWXAOJZ-QGZVFWFLSA-N 439.654 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C1CCCCC1)N(C)C 1705716836 WLWHXHNQDKTXLG-HSZRJFAPSA-N 427.612 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H](C)C1 1705789049 WZAKUBUGOQMWBT-SFHVURJKSA-N 430.618 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705789654 RYORPYHBUCPLEV-UHFFFAOYSA-N 430.478 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1705790321 QLRWPJDUVFHBEM-JOCHJYFZSA-N 438.664 4.834 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705800969 OUSCDHAXXHLQLE-KRWDZBQOSA-N 442.970 4.896 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705803467 RKJOUBSHFHSZRE-NRFANRHFSA-N 446.599 4.591 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1coc(-c2cccs2)n1 1705870399 HMBGUPJVRXSECS-UHFFFAOYSA-N 448.508 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@H]1CCO[C@H](C)C1 1705873559 NSUOHPKNYYCBAE-UXHICEINSA-N 433.556 4.984 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCc2csc(C)n2)C1 1705916260 OBQMLMLSRQCQPW-FCHUYYIVSA-N 437.613 4.609 30 10 IJEE CC(C)(Cn1c(Cc2cccnc2)nnc1N(CCC#N)CC1CC1)c1ccc(F)cc1 1706195930 AKRJMHCKJJGBGZ-UHFFFAOYSA-N 432.547 4.511 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722312273 AVJMVLJTGZVHIE-NRFANRHFSA-N 430.581 4.769 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](c1cccs1)N(C)C 1722344698 AZNFVVHUMOIQEM-AEFFLSMTSA-N 439.654 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1ncc(C)s1 1722376245 ZABBKTNHVPKJBX-IAGOWNOFSA-N 449.649 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CCC 1722494278 BZBUCIPOSSFNQF-KNQAVFIVSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1C(C)C 1722495902 ULZQIAOLZAOIHU-LEOXJPRUSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN(C(C)C)C1 1722517039 KQBDCCUWRBNCAG-FQEVSTJZSA-N 429.584 4.519 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722547253 DFUMEPCWUTYVST-PMACEKPBSA-N 448.995 4.745 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCCCO)CC1 1722560709 CNXBUSZAQJPIEK-UHFFFAOYSA-N 439.785 4.680 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722573487 ZPTCPJJAPJJNJP-FYYLOGMGSA-N 449.599 4.531 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCN(CC)C2)CC1 1722574290 JPGZTDMTOPWKCR-AZUAARDMSA-N 444.023 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCC)C1 1722584884 ZSANSIGJRIQWBQ-OAQYLSRUSA-N 439.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](OC)C1 1722587343 LBSSHQVWJWPWAV-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722589863 PLFZEGKDDPUNBW-FCHUYYIVSA-N 438.616 4.885 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 1722595324 VZSQPUOXXOEXNE-FQEVSTJZSA-N 441.526 4.594 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1722601767 VLIGGYFOEKQCMN-QGZVFWFLSA-N 427.593 4.757 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC1 1722659177 QEMAESKEFAFFOH-UHFFFAOYSA-N 430.325 4.777 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722681754 ROMUTEBZUZJPEJ-MJGOQNOKSA-N 440.485 4.940 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722689639 YYCRSPMBWAJIFA-SFHVURJKSA-N 443.617 4.510 30 10 IJEE CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1)OC 1727251436 FGNKJSWLGIAASC-PZJWPPBQSA-N 425.577 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC1(COC)CCCC1 1740549565 LWHTUEDXJILJPO-LJQANCHMSA-N 433.556 4.655 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740569399 IMFYFPFUPMGHQG-UHFFFAOYSA-N 433.531 4.639 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCSC1 1740580260 SMDCUKBKHQKBHU-MRXNPFEDSA-N 439.412 4.909 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1nc(C)cs1 1740633383 GBPJORMKMSXTBE-IRXDYDNUSA-N 449.649 4.773 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC(C)(C)[C@@H]1C 1740807546 FEPLQEDOKSFDRP-LBPRGKRZSA-N 443.748 4.603 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740860318 ZSKCUOFZTMTPAH-QZTJIDSGSA-N 428.577 4.810 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1CCC[C@H](C)C1 1740897269 AOYPSGYXVTTXHG-IBGZPJMESA-N 434.588 4.733 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1C)C1CC1 1740913043 BXFIIWWPXXVZIO-NSHGMRRFSA-N 429.609 4.941 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[C@@H]2CC)C1 1740978163 PCPATSBOZPXYHU-QKNQBKEWSA-N 440.588 4.570 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1742865922 FMIBDKSYBRXNMQ-FYSMJZIKSA-N 436.535 4.547 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)N(C)C)C1 1742982229 CRUKILSSSMYGHS-YOSAUDMPSA-N 434.632 4.952 30 10 IJEE CC(C)N(C)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1743009805 ICAGFTVFCNUCQZ-ROUUACIJSA-N 428.650 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCC2)c1 1748655116 RCQSANWYZGCIPG-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@@H](C)C1 1749029248 PCLVUYNTRCCJGE-IYBDPMFKSA-N 433.419 4.556 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCCC2(CCCC2)C1 1749048184 LHNJBXQMIAKVPX-UHFFFAOYSA-N 428.577 4.523 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CCC1 1749122433 VWDACPFHKBEETD-KUHUBIRLSA-N 449.368 4.817 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H](C)CC#N 1749213376 JNYAOBYCHIKPEH-IBGZPJMESA-N 432.572 4.684 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1749396278 ZBPLXNDBWRBQGY-HSZRJFAPSA-N 430.600 4.797 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1749417871 SIXHVBZOVKJBTR-IBGZPJMESA-N 440.979 4.821 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H]1C 1749528487 RQXWYBDVQPVERG-IBGZPJMESA-N 435.572 4.532 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1760145456 PIDFPKVJALEYRN-MRXNPFEDSA-N 427.911 4.655 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)c1cccs1 1760168933 VGYHDZXKWFDXNF-UHFFFAOYSA-N 429.387 4.816 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)C1CCCCC1 1760225461 QFJQYQQFZRHKPT-KOSHJBKYSA-N 445.007 4.862 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@H](C)C1 1760244327 QRMXZGPYCUXLJV-AZUAARDMSA-N 449.624 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1760296615 VEHXTHGGZQKEQX-RXFWQSSRSA-N 437.607 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1C 1760298258 ZQXGATPLBCHRGX-IEGUWTFLSA-N 445.032 4.889 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@H](CC(C)C)N(C)C)CC1 1760383373 OACHEIQEXDSMDP-OAQYLSRUSA-N 432.616 4.934 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760424208 ACSCPHJMJQJUFT-FQEVSTJZSA-N 433.531 4.935 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccco1 1760485939 WSWKYGHWIHCKSM-UHFFFAOYSA-N 436.537 4.858 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1760488357 SPCFYXNTJFQNFE-FYYLOGMGSA-N 436.648 4.911 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C)C(C)(C)C1 1760566243 PEXNBMDTXSWNSW-FXAWDEMLSA-N 428.602 4.582 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C#N)c1)c1cccnc1 1760877358 FLTJKGQYJXZZJZ-DEOSSOPVSA-N 437.551 4.683 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(NN=Cc3ccc(Cl)cc3)n2)cc1 1772721298 FSSRERWOTDCAKN-UHFFFAOYSA-N 449.001 4.940 30 10 IJEE COc1ccc(C=NN=C2S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)cc1OC 1772757663 IQZGQXWPLDKIGU-HWVQBVCISA-N 447.516 4.803 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862430130 CQCWNTFMIMRGAY-JOCHJYFZSA-N 449.890 4.703 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 1862475417 KYBHFMHNCJBUPO-JTHBVZDNSA-N 447.918 4.960 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(OC)c(O)c2)cc1 1862518503 LMBMIQVWCINYDY-QRQCRPRQSA-N 439.508 4.566 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2)cc1OC 1862575886 HVFPQUHGQYIBLM-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862614390 AHUYUWUXTFRVGH-QFIPXVFZSA-N 438.543 4.653 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(C)c2)cc1F 1862636632 KXOSRVLMKSHSRM-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(F)cc2F)cc1 1862661089 OICIWNLUCDVADV-XMSQKQJNSA-N 441.474 4.846 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862677598 DHJWBNJGYHMVDU-HSZRJFAPSA-N 447.510 4.814 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(N(C)C)cc1 1862701696 LLDUHGXOGFDYHJ-HSZRJFAPSA-N 436.552 4.920 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862728308 YFFUFQNIMLQVLK-JOCHJYFZSA-N 428.444 4.860 30 10 IJEE C=CCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706922 RTQAWFBJTPLDTO-UHFFFAOYSA-N 430.548 4.844 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C 1868699814 LPUFJXIAFKJRDY-RPBOFIJWSA-N 436.571 4.884 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cc3ccccc3n2C)n(-c2ccccc2Cl)n1 1870003505 BHIPOQJGFXQSRJ-UHFFFAOYSA-N 446.942 4.843 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871366530 JXNAAMRMJOQYME-OYKKKHCWSA-N 430.456 4.994 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc5ccccc5oc4=O)c3C)C2=O)o1 1871379246 NIJICULSHNEHIN-MTJSOVHGSA-N 428.396 4.838 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872087505 OSOWJUVCSQLAHN-MGPUTAFESA-N 438.590 4.816 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(F)cc1 1872099955 HORNLJBDXIADJS-QFIPXVFZSA-N 443.544 4.537 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1)S(=O)(=O)CCCC 1872105923 GXYYDTOSQSUMDJ-QHCPKHFHSA-N 439.581 4.856 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cccc(NC(C)=O)c2)n1 1872788725 OVJKZAPWIXUUTJ-QGZVFWFLSA-N 425.897 4.921 30 10 IJEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3cccs3)C2=O)c(C)c1 1873333273 LQBGEKSINSGQNW-UHFFFAOYSA-N 441.556 4.980 30 10 IJEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874204946 CAVIYZONNYTYDU-AWQFTUOYSA-N 438.296 4.676 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874259369 WFBKZHNZBCQLSV-HZHRSRAPSA-N 437.525 4.878 30 10 IJEE COC(=O)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1sccc1C 1874270082 DNSUAKUUJWBIOU-YDZHTSKRSA-N 436.562 4.539 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(OC)cc1OC 1874299987 CGNJZNHPRKJLIK-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2/N=C/c2c(F)cccc2Cl)cc1C 1874321155 CEXLHMKXVLRUFB-WYMPLXKRSA-N 448.951 4.623 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1Cl 1874488095 XUCMAJJYIJRJTH-WYMPLXKRSA-N 445.951 4.882 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874512490 AKNZFQKRRSUEIG-FSJBWODESA-N 442.614 4.769 30 10 IJEE COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1cccc(C)c1 1874571237 CPDWYMSBHUSSKU-OUKQBFOZSA-N 446.459 4.825 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Cl)cc1OC 1874588011 PLNKTEQYLNQDFA-RMKNXTFCSA-N 448.899 4.594 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875119757 LGUVTURKKGBGHX-RIYZIHGNSA-N 446.455 4.744 30 10 IJEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1875151000 PJRIAHJIBFCAIC-UXBLZVDNSA-N 445.427 4.758 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC 1875187601 DGQXBXSQDGUHSZ-GQCTYLIASA-N 439.291 4.849 30 10 IJEE C[C@H](C(=O)N1CCC(COc2nccnc2C#N)CC1)c1ccc(-c2ccccc2)c(F)c1 1891545605 MTMSKWWQHRQVAK-SFHVURJKSA-N 444.510 4.575 30 10 IJEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912155984 RWEGADDTUUBASB-NRFANRHFSA-N 436.557 4.853 30 10 IJEE C=CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1I 1969553873 UYODBGDYCRHCGM-YGRLFVJLSA-N 434.115 4.528 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H](OC)CCN1C(=O)OC(C)(C)C 2014392891 GGGRAOGILSQFFT-VJBWXMMDSA-N 432.605 4.542 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2037224738 QQYKFWLEOCTCRP-OSWMTFESSA-N 443.544 4.728 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2cccc(Br)c2Cl)C1 2063052524 YCNAATMUBNQKSU-OAHLLOKOSA-N 429.786 4.833 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 2089289191 NYEBIZCWLVDGIZ-SJORKVTESA-N 443.813 4.930 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c2nsnc12 2137379123 YPFACNIJIKRNMR-ZIAGYGMSSA-N 441.395 4.574 30 10 IJEE N#C[C@@H](C(=O)c1cc(I)ccc1F)c1ccc(Br)cc1 2146604662 WOXQLXKUQRRCNP-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1c1cc(Br)cc(F)c1C#N 2174809040 VKAIAAKJAJPQLX-XGWLTEMNSA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180904300 VVEBCBCAEBJMOC-ZIAGYGMSSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@H](CC(F)F)C1 2183420605 OVKDUITZEWABMK-GFCCVEGCSA-N 448.283 4.541 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)cc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 2187940418 DCWMEJNPBGDNAP-CYBMUJFWSA-N 436.350 4.542 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C 2235721282 AXBONCJWGIZQDA-ILZDJORESA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235725116 MZVBSQRNBMDGPP-MOPGFXCFSA-N 435.406 4.958 30 10 IJEE CCC[C@@]1([C@@H](O)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235735049 SHEJVBVSSYFCQR-SIKLNZKXSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@@H](O)C#Cc3ccccc3Br)cc2C1 2235739002 DWYVAVFENQHNGM-FQEVSTJZSA-N 428.326 4.785 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2OCCC[C@H]21 2260022729 WBQGWBLHGKHHRU-ONJIFJTESA-N 444.616 4.590 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cccc(Cl)c3Br)c2F)OC1(C)C 2266058606 FGDOPDBTIVXYJD-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267093803 YDLPCBZSAMHCTE-MOPGFXCFSA-N 444.381 4.565 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@@H](O)CC#CC1CCCC1 2289925517 VWEOYGMQTQBZDF-UXHICEINSA-N 436.390 4.830 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cccc(OC)c2OC)C1=O 2294017496 ZLLBRPUXRPXDRH-UHFFFAOYSA-N 445.924 4.901 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2296218024 ZZKXWOUWUGPNKK-OALUTQOASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)C#Cc3ccc(Br)cc3)cc21 2296227387 OFGVFBPGKSPRAZ-UHFFFAOYSA-N 426.310 4.981 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2296272723 LXGONPXZGSPFQF-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@@H](N)C#Cc1cccc(Br)c1 2296280002 VRAFXLBYZZOEBV-UGKGYDQZSA-N 435.406 4.992 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1CC(N(C)C(=O)OC(C)(C)C)C1 2296290511 DJIREJJMKZBDLN-LYBXBRPPSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2296305386 SVYHQQNXYXBUCS-WSTZPKSXSA-N 435.406 4.720 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2296927121 RYHHPLZCCNJREB-OAQYLSRUSA-N 432.407 4.669 30 10 IJEE COc1cc(N2CCCC2)c(OC)cc1C=C1SC(=Nc2ccc(C)cc2C)NC1=O 2297459869 LRQZYGXEYOWZBR-UHFFFAOYSA-N 437.565 4.812 30 10 IJEE O=C1C[C@H](c2ccc3c(c2)OCCO3)c2c(ccc3c2OC(=Cc2ccccc2)C3=O)O1 2297596126 PBEIQOHEVDOHKC-GOSISDBHSA-N 426.424 4.515 30 10 IJEE Cc1ccc(C)c(N=C2NC(=O)C(=Cc3cc([N+](=O)[O-])cc(Br)c3O)S2)c1 2313514041 NVVBQPNVHKARNW-UHFFFAOYSA-N 448.298 4.571 30 10 IJEE C=CCOC(=O)C=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 2314013717 DFPJIAZCSBALJZ-UHFFFAOYSA-N 438.236 4.752 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317350198 OVYFPYZRIUXWJE-CONOYDDESA-N 429.370 4.584 30 10 IJEE C=C(CC(=O)C=Cc1ccc(F)cc1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 2318584704 MTKXUFILYKJXAH-UHFFFAOYSA-N 449.570 4.798 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1cc(C)ccc1C 2320923355 FTSKAPAGVYGUOZ-UHFFFAOYSA-N 449.580 4.635 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cccc2ccccc12 2320971749 GTQZXEPUVWFDGX-UHFFFAOYSA-N 429.549 4.915 30 10 IJEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC 2323295713 HPMGPWPGBKHNLZ-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE COc1cc(C=NNc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1C 2323306665 NMUBHBUCLWGWSV-UHFFFAOYSA-N 431.452 4.813 30 10 IJEE CCOC(=O)c1sc(NN=Cc2cccc(OC)c2OCc2cccc(C)c2)nc1C 2323854456 DPTKGMVTOQOASW-UHFFFAOYSA-N 439.537 4.970 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325811446 AONFRCAHFFVUTL-QFIPXVFZSA-N 430.589 4.638 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(O)c1 2326142025 PEPPGMWPWHUPSM-UHFFFAOYSA-N 428.945 4.993 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccccc1F 2326939505 QQRMVHXKSXXQKS-UHFFFAOYSA-N 428.577 4.533 30 10 IJEE Fc1ccc(CSc2nnc(COc3cc(F)ccc3F)n2N=Cc2ccc[nH]2)cc1 2327431894 WFCRPJLNHMYGEU-UHFFFAOYSA-N 443.454 4.777 30 10 IJEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(O)c(OCC)c1 2328568680 SECPXMYBTJVRCC-UHFFFAOYSA-N 438.553 4.532 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccn1 2331030744 MELIREZYYMJXTP-UHFFFAOYSA-N 434.569 4.506 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2331046911 AREAJLOIVGFIJE-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2F)cc1 2331125955 RSSRAASDXOOCBR-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2cc(C)ccc2C)cc1OC 2331579704 AXCYKILXRPFVRS-UHFFFAOYSA-N 440.569 4.623 30 10 IJEE CCCc1nnc(SCCCO)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331660280 IMOSHQFJXXZMFX-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)[C@H]1CCCO1 2331761501 YHAIQILLMZFWQH-HXUWFJFHSA-N 430.884 4.646 30 10 IJEE C[Si](C)(C)C#CC[C@H](OCCCN)c1sc(Cl)cc1I 2366653600 GLWHZSHZCLQHNO-LBPRGKRZSA-N 441.838 4.684 30 10 IJEE COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)c(OC)c1OC 9495990 OZOMMRWFUZHXDU-OAQYLSRUSA-N 433.508 4.720 30 10 IJEE Cc1cccc(CSc2nnc(NN=C(Cc3ccccc3)Cc3ccccc3)n2N)c1 20826942 PGUXRYKVYRKNOP-UHFFFAOYSA-N 442.592 4.846 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1 21231098 CHNQODULFIJCBO-AZUAARDMSA-N 434.492 4.696 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN(CC)CC)c1 35486178 SOINOLJJFJWCKE-XMMPIXPASA-N 446.547 4.553 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)c1OC 41292130 ZHPBNPKRPRGXBQ-MTJSOVHGSA-N 434.419 4.987 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 63297830 PFNBHDOIBGZMCK-UHFFFAOYSA-N 432.505 4.748 30 10 IJEE CCOc1cc(/C=N\Nc2cnn(C)c(=O)c2Cl)ccc1OCc1ccccc1Cl 169894513 UBOVXRPDPUKNSP-MYKKPKGFSA-N 447.322 4.511 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OC(C)C)c(Br)c2)NC(=S)N1 169938302 NIJGWISPJLPHIW-IBGZPJMESA-N 445.382 4.912 30 10 IJEE CCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1Br 169938313 WYYGCJMNMGPPEB-LJQANCHMSA-N 445.382 4.914 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(O)cc2)cc1C 169960230 KIXUYTLIRABMQR-QHCPKHFHSA-N 443.455 4.521 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169962471 DSFVBFOWEONRJU-HSZRJFAPSA-N 429.472 4.806 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1OC(C)C 169976295 VWIZKTMZFDQSKB-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccn2)cc1Cl 169996440 AQAWJXKXWBGRDP-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)s1 170059592 JQNFGYNYFYCRNJ-GOSISDBHSA-N 439.924 4.587 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccccn2)cc1 170175892 GYJXRDRWFZKNER-XMMPIXPASA-N 431.451 4.889 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccn2)cc1Cl 170179270 GIOPAKREQXHHKI-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)cc1 170184174 TXJFBHIJEBJYJM-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1cccc2ccccc12 170220652 ZOTWTQQRMVIAHC-DEOSSOPVSA-N 445.515 4.690 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccccc3)ccc2O1 170223570 QENPAOTVAXMIDZ-WNSKOXEYSA-N 429.447 4.932 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1 170224483 FJWAVKATBSYZNZ-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2F)c1 170250736 HSEXUDRLAHETFK-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 170258185 JQQBJBDOKBFIKE-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cn(C)c2ccccc12 170269369 QKBSTTBMQDPSIJ-GYCJOSAFSA-N 444.531 4.880 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCN(C)C 170318093 FCMGCARYOVEQPA-OAQYLSRUSA-N 434.561 4.740 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1O 170408785 UFJHRAYXSFBCEM-QFIPXVFZSA-N 433.460 4.900 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(O)cc1)c1ccco1 170448338 LFGAYQGLBKPHNS-GOSISDBHSA-N 445.349 4.667 30 10 IJEE CC[C@@H](C)NC(=O)[C@@H]1CCCN1c1cc(-c2ccc(C#N)cc2)cc(-c2ccccc2O)n1 248167238 PCWONXYDEDVTJM-KOSHJBKYSA-N 440.547 4.876 30 10 IJEE CC(=NNS(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 252617400 KRZXKEUVDYZALT-UHFFFAOYSA-N 441.940 4.603 30 10 IJEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)csc1=Nc1ccccc1 254396464 UCTBPDUEMUJRDN-UHFFFAOYSA-N 439.606 4.810 30 10 IJEE CN=c1scc(-c2ccc(Cl)cc2Cl)n1N=Cc1cc(OC)c(O)c(OC)c1 254771628 PNAHUENJMAROED-UHFFFAOYSA-N 438.336 4.659 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cn1)NCCC 407589066 LMFSNGQXBZKVDQ-ZWKOTPCHSA-N 426.399 4.614 30 10 IJEE N#Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)no2)o1 426436151 PMQZRUBJBZWASS-UHFFFAOYSA-N 446.275 4.813 30 10 IJEE O=C(CCc1cc2ccccc2nc1O)Nc1cccc(C#Cc2cccc(C(=O)O)c2)c1 431641199 VWCQWVPPFKGRRM-UHFFFAOYSA-N 436.467 4.610 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)Cc1ccc(C)cc1 460555404 QDMGNNVHPJQBRB-GOSISDBHSA-N 428.540 4.546 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(O)nc2ccc(Br)cc12 477293541 RWHDCKCTVZMTMV-UHFFFAOYSA-N 449.226 4.503 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)c1OC 526606960 LFWOSGQYJVSVIA-QFIPXVFZSA-N 430.435 4.772 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 558992039 QYVQMPQKDVKPGJ-SFHVURJKSA-N 442.007 4.650 30 10 IJEE C=CCCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 586231532 QBQBNODTPHHFPQ-UHFFFAOYSA-N 440.359 4.546 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccccc1OC(F)(F)F 727627730 QAHYCLCTRKYQBI-SFHVURJKSA-N 432.442 4.990 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398211 ASPFRSIHOQQZSR-KRWDZBQOSA-N 447.516 4.567 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CCCOc1cccc(Br)c1 735329935 NHHQHSLSXDJSBK-UHFFFAOYSA-N 438.705 4.907 30 10 IJEE CCCCCCCCNC(c1nc2c(s1)CN(C)CC2)c1nc2c(s1)CN(C)CC2 753678738 PFIDIRPWIYNAML-UHFFFAOYSA-N 447.718 4.615 30 10 IJEE C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C 774257473 QERLIQBYESBTOP-PZJWPPBQSA-N 443.519 4.658 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@@H]3C2(C)C)c1 783601389 WTLYEWUVZNSWFX-OHUGHZGNSA-N 444.572 4.679 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 789720198 VJXKVFZPUUJAMZ-UHFFFAOYSA-N 436.371 4.957 30 10 IJEE O=C(c1ccnc(F)c1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 792328539 QKXQUXWZSZWETM-ZDUSSCGKSA-N 440.290 4.611 30 10 IJEE CCc1cccc[n+]1/C(C(=S)NCCCCC(F)(F)F)=C(/O)c1ccc(C#N)cc1 794846118 CXTLMNQFZQBONT-UHFFFAOYSA-O 434.507 4.942 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@@H]1CC(C(=O)N[C@@](C)(C#N)CCc1ccccc1)C2 796332876 VVRHFYLEKNZPEJ-JMROXTFQSA-N 439.600 4.737 30 10 IJEE C=CCn1c(CCCc2cccs2)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800782641 HLCOLOLRPIACHN-UHFFFAOYSA-N 445.633 4.537 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 806257808 SEBOVCGRGSXOKX-HXUWFJFHSA-N 431.515 4.567 30 10 IJEE C=CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 896487801 DABIERMPGHPFRH-XFXZXTDPSA-N 443.488 4.894 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccc2ccccc2c1 917698241 BGYVEAFZENZGMF-QFIPXVFZSA-N 446.576 4.886 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]2C)ccc1Cl 920463220 BCNMASCLSCGZBD-AWEZNQCLSA-N 439.364 4.609 30 10 IJEE Brc1ccc(-c2ccc(C=NNc3nnc4c(n3)[nH]c3ccccc34)o2)cc1 1082990256 BITBVQCANZKNSF-UHFFFAOYSA-N 433.269 4.975 30 10 IJEE CC(C)c1nnc([C@H](C)Sc2n[nH]c(NN=Cc3cc(Cl)cc(Cl)c3O)n2)o1 1084226655 OYVAZVVDEZDTIZ-QMMMGPOBSA-N 442.332 4.623 30 10 IJEE COc1ccc(C(C)=NNc2nc(SCc3c(C)cc(C)cc3C)n[nH]2)cc1OC 1084497056 USHLVOJKSOCQEH-UHFFFAOYSA-N 425.558 4.876 30 10 IJEE C[C@@H]1CN(/C(=N/Cc2ccccc2Cl)Nc2cc(C(C)(C)C)ccc2O)C[C@@H](C)N1 1088663254 CROGPZKLAPMMNW-IAGOWNOFSA-N 429.008 4.993 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c(C(=O)OCC)c1C 1124757960 YZSBKPNDLRGBKA-ZUOKHONESA-N 441.496 4.730 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCCN1C(=O)CC(C)C 1125735839 KQBUXBMJSWMXJN-IBGZPJMESA-N 439.369 4.530 30 10 IJEE CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 1126338696 FRHBSJFRUJOZNP-UHFFFAOYSA-N 427.342 4.668 30 10 IJEE Cc1cc(N2C[C@H](C(=O)Nc3cc4ccccc4cc3C#N)CC2=O)ccc1Br 1129674430 HAWBICZKDGSCLJ-GOSISDBHSA-N 448.320 4.774 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 1129702892 PIJIRYMRQCEVJN-STQMWFEESA-N 427.339 4.502 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)c1ccc(Cl)cc1F 1129738940 OEMDETPILYTLOQ-QGZVFWFLSA-N 432.680 4.532 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 1139804352 DQMAGALSRKAZDR-CLJLJLNGSA-N 427.523 4.702 30 10 IJEE COc1cccc([S@](=O)CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 1141625043 BRQLUSOPNUYDSF-IIMAJNMQSA-N 438.936 4.750 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)nc2ccccc2c1=O 1164556844 JLYVYFLFZZZLJO-JOCHJYFZSA-N 433.577 4.679 30 10 IJEE N#Cc1cccc(NC(=O)CCN2CCCC[C@@H]2Cc2ccccc2Br)c1 1170638120 GXLPBUGLIFXMRT-HXUWFJFHSA-N 426.358 4.747 30 10 IJEE CN1CCO[C@@H]([C@H](Nc2c(C#N)cnc3c(Cl)cccc23)c2ccc(Cl)cc2)C1 1185986644 BVXOSDZJFUPROL-TZIWHRDSSA-N 427.335 4.897 30 10 IJEE C=CCn1c(SCC[C@](C#N)(C(C)=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 1187994804 KZZKPISDLWXHIF-QHCPKHFHSA-N 437.952 4.769 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)c1 1192556932 JMLZHFRFOZGYHD-XNMGPUDCSA-N 437.543 4.767 30 10 IJEE O=C(NC[C@H](CO)c1ccc(F)cc1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1203660204 DETZZIXDGCJWBE-MLGOLLRUSA-N 438.343 4.523 30 10 IJEE CC[C@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)OCCc2ccccc21 1214623285 FPLNYBDMHMLPHE-RUZDIDTESA-N 428.492 4.745 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1 1215273575 ONSLQRIQQLOCGD-NRFANRHFSA-N 441.572 4.588 30 10 IJEE Cc1cc(-c2ncccc2NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cs1 1216761461 AQRCQWGQUYGGRI-UHFFFAOYSA-N 437.956 4.998 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)CCCN1C(=O)OC(C)(C)C 1270079826 JULYSFNAYNCLCW-VWLOTQADSA-N 437.515 4.928 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCCC2)c1ccc(Cl)cc1F 1275497548 FEIQGFDGCPUXEK-LJQANCHMSA-N 425.866 4.787 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(C)c1 1286282864 SOFICRPQGAMBLN-OAHLLOKOSA-N 429.387 4.778 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286291924 WROSEVDXIVVEPZ-WOJBJXKFSA-N 449.599 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)C1CCCC1 1286549570 ALLZVKKMWNWUBH-JPYJTQIMSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1286558851 RFWUYYWGEXEXPK-HFMPRLQTSA-N 426.580 4.666 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 1286620280 IEIMXINYWJZPFX-IAGOWNOFSA-N 439.387 4.914 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1286678764 DJTKLEHXOOCFFV-BVAGGSTKSA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCc1cnccn1 1286684157 FUVJZDAHDHFZJF-GOSISDBHSA-N 436.629 4.957 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1286699058 NOHMFNWEVNRROV-FPOVZHCZSA-N 426.536 4.724 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1 1286740699 UQHNUUCUDDPJCP-QHCPKHFHSA-N 449.624 4.751 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2F)n1Cc1nccc(C(F)F)n1 1287597108 CWIPNTLNOBFCFQ-UHFFFAOYSA-N 443.477 4.626 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1288530732 HHSFDRBUKATGBC-SFHVURJKSA-N 445.011 4.513 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 1293125524 QQBBFEZIUQJOPH-QFIPXVFZSA-N 449.526 4.846 30 10 IJEE Cc1c(C(=O)NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)sc2ccc(C#N)cc12 1294884693 HUHUDENYUGRVQJ-INIZCTEOSA-N 448.466 4.561 30 10 IJEE COC1(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1299790926 FPPDAVGOPABXLI-JOCHJYFZSA-N 443.979 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCCCC1 1300269987 ABORFZVAWDSLCN-RBUKOAKNSA-N 445.007 4.841 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(C)(C#N)CC1 1300352352 KPJFHMNQHNXADT-UHFFFAOYSA-N 435.572 4.676 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1300404223 TVNYDTBMBYMLII-QHCPKHFHSA-N 449.986 4.665 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCO[C@H]1C(C)C 1300443408 GNFNLEAUMLJGMR-AVRDEDQJSA-N 438.572 4.943 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)COC 1300611908 OBYBPQXVAPFLJR-UHFFFAOYSA-N 426.561 4.945 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300931227 XGSALMDEHIPSEF-GOSISDBHSA-N 441.377 4.531 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H]1C 1300979553 CIZWSCDOQCPWKJ-UONOGXRCSA-N 425.396 4.597 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1301186425 YEMIYIASAUYDDI-RTBURBONSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301207741 FZFIUHVKFJTQDR-XXBNENTESA-N 436.556 4.945 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCSC2)C1 1301239941 YIDZAVDYSBGPBX-XUZZJYLKSA-N 426.630 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC(F)(F)CO1 1301397134 NSISSXGBYKEGIO-FQEVSTJZSA-N 446.542 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC[C@H]2C)C1 1301541641 AUJSCIUXNFOJHD-ZHALLVOQSA-N 430.980 4.825 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CCCC3 1307261572 VOOQLIKCNJSYDZ-BFYDXBDKSA-N 445.654 4.698 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCS[C@@H](c3ccccc3)C2)n(-c2cccc(F)c2)c1C 1307903746 FAGCMRLIZFNSEF-HSZRJFAPSA-N 448.567 4.834 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 1310028468 BURNRLUBRCDSCP-UHFFFAOYSA-N 436.512 4.692 30 10 IJEE COc1ccc(O[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1315518626 FCLHMGFAIPBUSD-DFBJGRDBSA-N 437.588 4.617 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(COc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1356592778 NBCHXSYNBICRSZ-AREMUKBSSA-N 434.536 4.997 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 1357323182 ITHZEJCKRIHABF-LCYFTJDESA-N 439.467 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2c(CC)nn(C)c2CC)CC1 1359162185 HEZRQQUKXGSTGN-UHFFFAOYSA-N 442.970 4.801 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CCC(C)C)CC2)CC1 1359162975 MMMNKQNGJGVRGM-UHFFFAOYSA-N 432.616 4.731 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCCCC1 1359199262 QBIDHOVWWXQULK-UHFFFAOYSA-N 430.618 4.721 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1Cc2cccc(Br)c2C1 1359204971 HODBZUNPEHZWFA-UHFFFAOYSA-N 438.373 4.903 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](N2CCCC2)C1 1359211043 QFVPSEPWFBPCTE-LJQANCHMSA-N 429.996 4.638 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359220218 RSFCZEZQFWHBBJ-UHFFFAOYSA-N 444.942 4.654 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCOc1ccc(Cl)cn1 1359232408 UHIMHGLBOPRHDV-OAHLLOKOSA-N 448.354 4.821 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccsc1Br 1359241430 QOAWGHVDRLHDKS-UHFFFAOYSA-N 439.329 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1ccc(C)s1 1359254559 VYXSWWBDXFODEE-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cc(C)oc1C 1359258553 VBXPGMXAJDQTKU-AREMUKBSSA-N 443.551 4.650 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)S[C@H](C)C1 1359284930 VKYYOMHLOKAXHV-VXGBXAGGSA-N 427.799 4.877 30 10 IJEE CC(C)N(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2C1)C(C)C 1360123004 BDHOKYMHSKGPKO-UHFFFAOYSA-N 448.640 4.950 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1436641170 DGEQVFNEZLQLKF-UHFFFAOYSA-N 446.301 4.775 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)C(=O)OCC 1438406323 WZWVHWYHPSYCPL-INIZCTEOSA-N 429.344 4.519 30 10 IJEE CC1CCN([C@@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C(C)C)CC1 1441339697 HJLNBSFRBJDESR-QHCPKHFHSA-N 445.051 4.691 30 10 IJEE C=CCCC(C)(C)CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1454584317 RFFHJIDHBCRAAC-GOSISDBHSA-N 439.369 4.692 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1OC 1457560928 FHBSGBRTDBSPAK-MIAHCYGISA-N 434.580 4.546 30 10 IJEE C#Cc1ccccc1CC(=O)OCc1ccc(I)c(C(F)(F)F)c1 1458980711 KNVOQZQELPSYQR-UHFFFAOYSA-N 444.190 4.577 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2cncc(OCc3ccccc3)c2)CC1 1460045098 AXFFEOMGJVDJGL-RUZDIDTESA-N 432.955 4.696 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)C(=O)OCC 1462501002 JULSWXLKAGXXRE-OAHLLOKOSA-N 426.460 4.765 30 10 IJEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)C(C)C 1462943233 VKDKCLPMJASMDI-UHFFFAOYSA-N 446.572 4.566 30 10 IJEE CN([C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc(F)c1C#N 1463428854 FBXXVMLJMBDDMN-CRAIPNDOSA-N 426.435 4.673 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3ccccc3)C3CCCCC3)ccc2c1=O 1464871773 PDNUKRSLBNBVCZ-UHFFFAOYSA-N 433.577 4.846 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1468088854 OEWAUAOOVSGFST-NRFANRHFSA-N 439.556 4.659 30 10 IJEE C#C[C@@H](NC(=O)c1sc(C)c(Br)c1OC)c1ccc(Br)cc1 1468451417 QRDHJKPICDBHNH-GFCCVEGCSA-N 443.160 4.694 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1468505889 BYFXOPAYPXOAQZ-QRWLVFNGSA-N 432.442 4.723 30 10 IJEE Oc1nc2ccccc2cc1CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1473848701 QTSDAACOEFKKKR-VXGBXAGGSA-N 426.307 4.543 30 10 IJEE C[C@H](COc1cccc(F)c1)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1474863653 CAUMHBAIJPEEGL-SNVBAGLBSA-N 445.356 4.609 30 10 IJEE Cc1c(S(=O)(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)sc2ccc(C#N)cc12 1475527576 ATCBVJJAMZVEOZ-MRXNPFEDSA-N 432.517 4.928 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1496073150 CQSGNHQFWDYINZ-SSOJOUAXSA-N 435.572 4.807 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H]1CCCN(C(C)C)C1 1507699295 DXDCQHAGJVVLJG-IFMALSPDSA-N 425.596 4.691 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](CC)C1 1507777758 AYDIXXRITGDURT-INIZCTEOSA-N 426.362 4.947 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507880811 MZKJXJGWETZVSZ-JTSKRJEESA-N 445.405 4.724 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1507938829 ILUBRYXFBAMMFA-GOSISDBHSA-N 429.615 4.630 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC=CCC2)C1 1508113487 GRRGDFJKYLBBQG-YLJYHZDGSA-N 443.389 4.845 30 10 IJEE CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(Br)cc2C#N)c1 1520073521 CFCHBRGLUIHJLH-UHFFFAOYSA-N 434.721 4.707 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ccccc1 1525781717 XAKPFMDTABQDQZ-NFLAHJKKSA-N 439.581 4.578 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)c(C(=O)OCC)c1C 1525887420 KBQISUZFMMJDJQ-MSOLQXFVSA-N 441.549 4.954 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(CN2CCN(c3cccc(C)c3)CC2)cc1 1526642030 JDNPDZXAVBEKSL-UHFFFAOYSA-N 442.563 4.529 30 10 IJEE C#CCOc1ccc(NC(=O)CCc2cc(Br)c(Br)s2)cc1 1529314060 YPZQDSYIDKUPNB-UHFFFAOYSA-N 443.160 4.856 30 10 IJEE Cc1cccc(Oc2ccc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)nc2)c1 1529543219 HNSDZVKPWCAWLE-UHFFFAOYSA-N 428.492 4.569 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)cc1 1530915406 DEXGLKINRZZAPG-XMMPIXPASA-N 425.532 4.658 30 10 IJEE C#CCOc1ccc(COC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 1536771540 IZCWEWCTRJTFAK-WUFINQPMSA-N 439.555 4.966 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1538496384 DNYJGZCCGMXAKX-ACRUOGEOSA-N 448.460 4.549 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1sccc1C 1539402708 HOTHHZVMDAILEA-UHFFFAOYSA-N 435.380 4.756 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1539513861 NBFFSCBZPOAUSN-GOSISDBHSA-N 431.005 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCc1nccs1 1539621908 CJDLQQYILOGNIQ-XLIONFOSSA-N 444.004 4.715 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC2CCCCC2)CC1 1539805484 KJMZNEKBFNGSSR-UHFFFAOYSA-N 449.977 4.602 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1539811771 IGCDHCORKGGYOG-GOSISDBHSA-N 435.380 4.914 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1540099419 YPCRQNFXYRYMDD-UHFFFAOYSA-N 444.645 4.611 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1540158366 FIPWOBNLHCXUBB-QHCPKHFHSA-N 426.948 4.894 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC(c3ccnn3C)CC2)cc1 1540877071 JUQBFVUURQPNHS-LJQANCHMSA-N 434.588 4.522 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1540919506 CEJGNRIQOTUQJC-QGZVFWFLSA-N 440.535 4.863 30 10 IJEE COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)[C@H](C)C#N)c1OC 1544668906 AOQDKGKLLDRQPW-DXFLKOCDSA-N 427.504 4.723 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)C1 1557634886 QQTUVKCFNKCAIG-HXUWFJFHSA-N 448.592 4.671 30 10 IJEE C=CCSc1ccccc1C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 1557990672 SDYGPTVPAJCMRD-HNNXBMFYSA-N 434.483 4.777 30 10 IJEE C=CCCC[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)OC 1558380145 BGDTWJGRKQTUAN-HNNXBMFYSA-N 427.353 4.674 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1OC 1560446518 OTKXLVDIQSTFCX-KKSFZXQISA-N 433.390 4.804 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)C1 1562296678 BZLCERRSIACFME-IRXDYDNUSA-N 429.952 4.783 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 1562370832 QKCWXVZCOCXYLF-IBGZPJMESA-N 428.330 4.570 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1583585450 UMCBHBKDELCZTD-WOJBJXKFSA-N 430.907 4.926 30 10 IJEE C=CCC1(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OCC)CCCC1 1586371978 SUNZAGSJPQJCBQ-UHFFFAOYSA-N 432.520 4.500 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C(C)(C)O)c1 1587579049 CIQADDFUBVNTEN-ROUUACIJSA-N 448.636 4.865 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H](C)c1cccs1 1589036619 LVIPDZFHCQWSPY-INIZCTEOSA-N 442.610 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC(C)C)C1CC1 1589506546 XTEWMPDAWXFVBI-NQIIRXRSSA-N 429.996 4.990 30 10 IJEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1cccs1 1593746799 NNOJBKNKMZDEEG-XLIONFOSSA-N 440.569 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1594477782 JXHHWHNPVVOLPI-UHFFFAOYSA-N 425.968 4.634 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)C1 1594582204 NQBRAUXSJCAGRU-UHFFFAOYSA-N 425.396 4.741 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1594752383 IDRYAEQEPOKIKN-OAQYLSRUSA-N 436.604 4.543 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCN(C)C1CCCC1 1595156208 IRGLBJWADGGLNT-NRFANRHFSA-N 429.634 4.648 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1595330052 INQZUDCUMIVCMW-MRXNPFEDSA-N 445.539 4.677 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 1595477348 XXKSSGFKSZRNAG-HKUYNNGSSA-N 427.545 4.783 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1 1595964173 CZQHDMCBGGCNCV-QFIPXVFZSA-N 429.549 4.749 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@]2(C)CC2(C)C)c1 1596743093 CTKMEZYZQVIRNW-QHCPKHFHSA-N 447.000 4.887 30 10 IJEE C=CCC[C@@H](C(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1)c1ccccc1 1606838428 XPGLODUZSWDNEV-CQSZACIVSA-N 442.279 4.757 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(Cn4cc(Br)cn4)s3)cc2n1 1617520326 HZCSNLJRPKXHOY-UHFFFAOYSA-N 442.342 4.543 30 10 IJEE C#CCN(Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1)C1CCCCC1 1621143732 LTTDWONMOZGUNO-UHFFFAOYSA-N 425.525 4.812 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1Br 1621666527 GJAYWKZPIZZUSE-INIZCTEOSA-N 443.725 4.639 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1622871006 ZLKYKJVMLFRQEO-AWEZNQCLSA-N 438.450 4.934 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 1623085380 AEYHXVRMSZXZBE-YQVWRLOYSA-N 425.554 4.623 30 10 IJEE Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 1623940561 DGCINGOZJMMVBB-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(N3CCCC[C@H]3C)ccc21 1624706052 DVRYKIJOCNCQCF-DENIHFKCSA-N 439.600 4.651 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCC(F)(F)c3ccc(Br)cc3)cc21 1627746586 MJSUNEFOFQMEND-UHFFFAOYSA-N 435.272 4.898 30 10 IJEE C#CCOc1ccc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 1629022296 GKOCHHCSUUUCNO-UHFFFAOYSA-N 445.906 4.919 30 10 IJEE C#CCOc1ccc(NC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 1629022371 JFPPKZAJDQYSGI-UHFFFAOYSA-N 441.553 4.522 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1OC1CCCC1)c1ccc(Br)cc1 1629786964 BEEGUXGPLGRMHU-HXUWFJFHSA-N 427.342 4.944 30 10 IJEE C#CC1(O)CCN(C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 1633560050 VGXTVQLEAJRLKQ-LYBHJNIJSA-N 443.568 4.854 30 10 IJEE C#CCN(C(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)C1CCN(C)CC1 1633776554 FIVZVNSXJCPVLC-UNMCSNQZSA-N 435.534 4.861 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)c(F)c1 1634454082 SIGWRXHQOSUHBS-LPHOPBHVSA-N 449.295 4.514 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1Cn1c(C)nc2ccccc21 1637924965 IMXJIGIOWUVKKM-PZJWPPBQSA-N 440.588 4.585 30 10 IJEE C#CCN(C(=O)CC(C)(C)CC(=O)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331353 UNOZLVJZCXJWQL-UHFFFAOYSA-N 440.584 4.537 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@]2(F)c2ccccc2)nnc1-c1ccc(Cl)cc1 1638604535 BIEHRRDDVPQAIV-AVRDEDQJSA-N 442.947 4.630 30 10 IJEE CC(C)c1ccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1Cl 1640946830 BGTIUGPEFAMHCO-UHFFFAOYSA-N 433.943 4.688 30 10 IJEE C=CCn1c(SCOC(=O)N(CC)CC)nc2cc(-c3ccccc3)sc2c1=O 1643558254 XBCUBDALZMXDLW-UHFFFAOYSA-N 429.567 4.839 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Sc1ncccn1 1644351639 UYNIKPRSOROVKB-OAHLLOKOSA-N 434.949 4.602 30 10 IJEE C=CCn1c(SCC2(C(=O)OC)CC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1651536020 IIIFWBHUCSTVAA-UHFFFAOYSA-N 426.563 4.665 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1 1653440333 FXPAVPQOILUZQJ-QFIPXVFZSA-N 426.563 4.820 30 10 IJEE C=CC[C@H]1N(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CCCC1(C)C 1653459731 JEKAVNMLPODEHU-XMMPIXPASA-N 433.596 4.930 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NCC(F)(C(F)(F)F)C(F)(F)F 1654740497 KXCKYPCHZLOQEE-VURMDHGXSA-N 427.238 4.938 30 10 IJEE C#CCOc1ccc(CNc2ccccc2CN2CCc3cc(OC)c(OC)cc3C2)cc1 1655880890 WBUQOTLQWIOIPN-UHFFFAOYSA-N 442.559 4.886 30 10 IJEE C#CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1C 1655969788 HBDYVJDWJCVCRV-GOSISDBHSA-N 432.593 4.770 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1657932788 XOHONIPABDKPLW-IMSXRSKXSA-N 440.632 4.625 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC(=C)C)Cc1ccc(CO)o1 1662576924 CBVPFMUWYSKTQB-UHFFFAOYSA-N 435.318 4.709 30 10 IJEE COc1ccc(N(CCC(C)C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 1663779468 GRHRGIKTZBLNAQ-UHFFFAOYSA-N 426.460 4.827 30 10 IJEE C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@@H](c2ccccc2)C1 1663837347 FNPBYBIIZHDKHV-FNHZYXHNSA-N 433.371 4.571 30 10 IJEE CCOC(=O)[C@@](C)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 1668491719 FDEILYNGFJZKOR-SANMLTNESA-N 443.503 4.993 30 10 IJEE Cc1ccc(Oc2cccc(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)c2)c(C)c1 1672459716 HCFFPYHYQKUSAF-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CC)[C@H](O)c1ccccc1F 1672708172 FYXCVEGRHHVPLW-VQIMIIECSA-N 437.309 4.787 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC(COc4ccc(Cl)nc4)CC3)cc21 1673311592 JRWYWQGPUSQTLV-UHFFFAOYSA-N 425.920 4.594 30 10 IJEE C#CCOc1ccc(NC(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 1674518900 MOFQHHGVTNQMOF-OAQYLSRUSA-N 449.551 4.967 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CCCC1(C)C 1675616134 CKERBHCIABBJPL-IEBWSBKVSA-N 443.592 4.800 30 10 IJEE C#CCN(C(=O)NCCOc1cccc(Br)c1)[C@H]1CCCc2ccccc21 1675701916 XXTAJEUWSDUQPS-NRFANRHFSA-N 427.342 4.550 30 10 IJEE C#CCC1(NC(=O)NCC2(c3cccc(Br)c3)CCOCC2)CCCCC1 1677429127 OEOYQGYMNSJGQG-UHFFFAOYSA-N 433.390 4.523 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1678849658 FCAZECPMTMBKGP-APWZRJJASA-N 425.520 4.965 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H](C)c1cc(F)c(Br)cc1F 1679223661 XQNPJSIMWWIUME-GFCCVEGCSA-N 425.273 4.853 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](CC)Oc1cccc(Cl)c1)c1ccc(Br)cc1 1679947891 XWXBWEFGNRSFFM-HKUYNNGSSA-N 435.749 4.934 30 10 IJEE COc1ncc(NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1C#N 1680425867 IAAGBEFDNHZGLX-AWEZNQCLSA-N 432.324 4.796 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1680762339 RCFVIMINYBXYIR-PZJWPPBQSA-N 434.458 4.531 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1 1681093724 DQFVMXPHUIFXER-QFQXNSOFSA-N 447.535 4.693 30 10 IJEE C=C(Br)CNC(=O)NCC1(c2cccc(Br)c2)CCCCC1 1683397767 IETFORROWJSLQZ-UHFFFAOYSA-N 430.184 4.859 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1685817315 LGHIFPPYSSGNEJ-QAPCUYQASA-N 425.495 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@H](C)C1 1689832305 ZVJBLXYLGZBEJH-YQVWRLOYSA-N 435.597 4.650 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1689919552 ROXINWXOMROKRQ-UHFFFAOYSA-N 439.922 4.594 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@@H](OCC)C(C)C 1689948739 DQMGLMLIBIRNEI-HXUWFJFHSA-N 437.613 4.898 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CC[C@](C)(CC)O1 1690034278 CEUDSYFOTAYUBG-BVAGGSTKSA-N 430.596 4.559 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2(COC)CCC2)CC1 1690415367 JETDFRFWQLPPQP-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CC[C@H](Cn1c(N2CC=C(C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690446433 AGFMHINPVOVGLA-ZEQKJWHPSA-N 436.600 4.835 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCc2ccc(Br)cc2C1 1690507368 KMOSLUZWVKJWKX-UHFFFAOYSA-N 445.405 4.854 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1CCCCO1 1690561653 XXMWDFLOEBFOMM-XZOQPEGZSA-N 435.572 4.543 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1690706876 LMTHIRXYSNGIIW-VQTJNVASSA-N 432.609 4.567 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C2CC2)cs1 1690992962 CGODUSNAUGXASL-HUUCEWRRSA-N 440.548 4.535 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1694080156 CMGZZYCPRJCEAD-SIBVEZHUSA-N 445.615 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCC[C@@H]1C 1705506007 QLSCTXLESYMLLC-OALUTQOASA-N 446.064 4.946 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)CCc1cccs1 1705525661 QIWWSFLPLXTXJP-UHFFFAOYSA-N 446.418 4.970 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1705529607 KPCOVAMIIKCGEH-OAHLLOKOSA-N 446.502 4.613 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1OCC 1705576725 QBLKRLPRECDWCR-UHFFFAOYSA-N 444.604 4.795 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1705656399 WKYUZXNJDJEJAJ-UHFFFAOYSA-N 446.064 4.523 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1705666008 KQEBPYGBDZIFJX-OAQYLSRUSA-N 438.622 4.935 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C[C@H](C)c1nccs1 1705682449 ABMSXNVPWJPRBY-ZDUSSCGKSA-N 448.390 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C)C(C)(C)C1 1705702941 PLUYNTXXUGKPAX-LEEZEASISA-N 438.616 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705787947 KWQYJKJQEPJOIT-SFHVURJKSA-N 439.995 4.713 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1705796233 BMROHKLUXPBKIE-FYYLOGMGSA-N 434.588 4.558 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCN1CCC 1705837825 PMALTOONSUZORF-LJQANCHMSA-N 446.437 4.903 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccs1)N1CCCC1 1705838087 BRYYADZVOLLQEI-KRWDZBQOSA-N 428.993 4.514 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1705851139 VXFTXAVNFBMXBT-NRFANRHFSA-N 444.023 4.882 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(CC)C1 1705864976 DBQIOEKGKZFKTK-LJQANCHMSA-N 437.613 4.550 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1705888333 RUNDAVDXXSTPCH-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1F 1722278869 FXMRYBKUVMHXLE-CYBMUJFWSA-N 433.350 4.609 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722283450 VCJOFQNOAKNXTI-YVWKXTFCSA-N 439.560 4.541 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722319397 ZGYBZRHXNDQDNX-JOCHJYFZSA-N 428.527 4.670 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)COCC 1722376699 XZHKPIKEDXLJSS-UHFFFAOYSA-N 441.000 4.949 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H](CC(C)C)N(C)C 1722420240 GMZMBXMACHHCCG-QHCPKHFHSA-N 425.596 4.691 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCc2cc(F)cc(F)c2C1 1722480232 OFEZWPKGTWENQW-UHFFFAOYSA-N 435.272 4.596 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCCCc1ccccc1 1722506492 MTCMCJWYCPEUHR-LADGPHEKSA-N 433.600 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1OCC[C@H]1C 1722511831 NBJHBQXGVAJQFN-RDTXWAMCSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C(C)C 1722580104 HDCQEYAJVRVOEZ-UHFFFAOYSA-N 427.568 4.671 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2(N(C)C)CCCCC2)CC1 1722582653 OLCZPOUEEIDELY-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1722587687 XFEAWCNRWXZRMR-QFIPXVFZSA-N 430.600 4.653 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)cc(OC)c1)C1CC1 1722645415 LYEOFYLDEKKYSU-UHFFFAOYSA-N 442.361 4.556 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@@H](SCC)C1 1722685663 JLZLCUPXVOWOGM-LJQANCHMSA-N 449.665 4.691 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(F)cc2C1 1722733503 CTZCTVBPNOZVSD-UHFFFAOYSA-N 429.952 4.615 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)OC 1726846098 GQTOYHLBULKQEO-QNJCZANYSA-N 443.567 4.748 30 10 IJEE CC[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N)N1CCCC1 1727245660 BXSGDZVFHCCEFR-DOTOQJQBSA-N 435.403 4.722 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)C1 1729263919 CZFGAWFOBCWPBL-IEBWSBKVSA-N 449.571 4.884 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@](C)(OC)CC1 1740582066 IKPWPRCAOCBYPE-JOCHJYFZSA-N 445.405 4.825 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1740662892 YPSAAQIZTNNBAF-UQJUWTFNSA-N 442.991 4.736 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC[C@@H]1OC 1740663469 JWVGMWQCTUQOPT-QPPBQGQZSA-N 431.584 4.627 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CC(C)C)C1 1740708949 GRQLIZNHCQCGSP-RTBURBONSA-N 430.593 4.796 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740779537 LIMLOMJUBOEALB-OAQYLSRUSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1nccs1)C1CC1 1740907214 VQENSXWEXUEKOD-JKSUJKDBSA-N 427.549 4.972 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1Cc1c(C)coc1C 1740914288 OINZKAMBRFPIAZ-NRFANRHFSA-N 436.556 4.631 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1CCCCC1 1740938972 OVAZWZMFPQCYHX-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740944651 CCADQZSIKDJSIM-FQEVSTJZSA-N 439.604 4.777 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccsc2)C1 1740971936 AMANHVNZHLQOJY-LAUBAEHRSA-N 442.560 4.643 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1740996339 MGKOIFKSOJZWEI-YESZJQIVSA-N 436.622 4.807 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)[C@@H]1C 1743175480 CJGKPYZPYUSJHW-JKSUJKDBSA-N 441.988 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCCc1nc(C)cs1 1748685939 HNMPYMHPBYSIJL-FQEVSTJZSA-N 437.613 4.720 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1748710299 LWDCOBSKFVWKDB-FPOVZHCZSA-N 443.636 4.869 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1CCCC 1748771983 LYWOQWHMRQTEPD-TZIWHRDSSA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCC[C@@H]1C 1748939132 QPOCAHHPGBAPDY-IBGZPJMESA-N 446.064 4.948 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)Cc1ccccc1OC 1749103779 CUHMGJABWIPJHZ-MRXNPFEDSA-N 435.410 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Cl)cc1 1749124579 OTZQEERYYGHNDR-KNQAVFIVSA-N 437.975 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCC[C@@H]1C 1749146309 CCIIXRXNDXJEOG-IFXJQAMLSA-N 439.423 4.723 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1749222410 HLBNHCPPGUMFBC-YADHBBJMSA-N 437.588 4.659 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749260051 IELULGIVVBWHFI-MRXNPFEDSA-N 436.368 4.694 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](CN(CC)CC(F)(F)F)C2)nnc1C(C)(C)C 1749377160 MXPDWAMHNMPMQG-QGZVFWFLSA-N 429.575 4.888 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1749419819 QUCCWGYJTUPGFE-GOSISDBHSA-N 430.478 4.968 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1749434044 FFXFCVOWNODUIH-SFHVURJKSA-N 427.622 4.631 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1ccccc1 1749554471 TVAQDCPFCFQDFE-QPPBQGQZSA-N 438.597 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCc1csc(C)n1 1749564704 YBEGUAIWSOQISR-UHFFFAOYSA-N 444.402 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCc1cc(C(F)(F)F)ccn1 1760104332 WTZWYIDQVAKVRB-OAHLLOKOSA-N 439.441 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN(C)C(C)C 1760291144 CZTXQUBCUVSOGP-JOCHJYFZSA-N 434.415 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)cc1F 1760330786 MJMFGQQJKCTQGN-UHFFFAOYSA-N 436.304 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1cccc(Br)c1 1760335590 OSAWHSUSIWLPLF-MJGOQNOKSA-N 431.378 4.536 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](c3cccc(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760430315 FYOVAIKLLNJADB-ZEQKJWHPSA-N 438.616 4.977 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760434544 FDBMEXIFTGMPOD-UHFFFAOYSA-N 439.604 4.967 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCCC)CC1 1760440431 JSZFVPWWDFZBDQ-UGKGYDQZSA-N 426.561 4.542 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1760458914 XZEXARRURNHNCX-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1760465557 LINXMQYBFXJILF-AUSIDOKSSA-N 439.604 4.775 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1scnc1C 1760532642 ARNWNYGZCNKJSK-FQEVSTJZSA-N 439.585 4.534 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCCC2)s1 1761772045 CZKXTEUIGQQPIR-UHFFFAOYSA-N 435.597 4.908 30 10 IJEE CCc1nc(C)c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)o1 1762726214 BNWLMKUBZYEYBY-QFBILLFUSA-N 436.560 4.680 30 10 IJEE Cc1cccc(N=C2S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2c2ccccc2)n1 1772737496 OXEDTJAOBJOOOL-AATSGNOFSA-N 426.501 4.545 30 10 IJEE N#Cc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n(Cc3ccc(F)cc3)n2)cc1 1859411613 OQXATNIVJJNKTB-UHFFFAOYSA-N 441.422 4.770 30 10 IJEE COc1ccccc1-c1nc2cc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)ccc2o1 1859743701 DTXPQBFADBUZJO-UHFFFAOYSA-N 435.443 4.813 30 10 IJEE Cc1ccc2oc(=O)c(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c(C)c2c1 1859750330 WLWSAJZUFHMZQY-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 1862379830 LYPGJYKRSPIGJL-IBGZPJMESA-N 433.335 4.523 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1OC 1862437239 MPYRTDLHUXXIGL-HXUWFJFHSA-N 429.900 4.592 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862476402 KIPLDDLWCXXGKK-JOCHJYFZSA-N 449.890 4.838 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862592478 DKUGMVJAONOXLK-NRFANRHFSA-N 437.854 4.963 30 10 IJEE COc1ccc(C)cc1NC1=C(c2cc(C)ccc2C)C(=O)N(c2ccc(C#N)cc2)C1=O 1863029204 BPASSHCQPMFEJB-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCN(CC)CC)C1=O 1863507782 GTHCFWBXQRZOSX-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccccc1F 1864066485 NOOBQQQTBJXKAI-HXUWFJFHSA-N 428.552 4.522 30 10 IJEE CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Br)c1 1867196885 DMPFSJKGIJNCGO-MGPUTAFESA-N 442.357 4.594 30 10 IJEE CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Br)c1 1867198901 TWGTWDXYSNVQCA-HNAYVOBHSA-N 442.357 4.594 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868261928 CZXJUZMROBXJLB-OAQYLSRUSA-N 449.942 4.512 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C)cn1CCCCC 1870708433 DQMFXDTWHJBOPA-UHFFFAOYSA-N 437.584 4.538 30 10 IJEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CNc1ccc(Cl)cc1C 1870887165 UGONJHBZOXOYOT-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE CCCCCCCCNC(=O)[C@]1(C)Oc2ccccc2N(Cc2ccccc2F)C1=O 1871319795 OCIKTPWXKLCECJ-VWLOTQADSA-N 426.532 4.987 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1 1871344685 RUKWCBUMMHCTMR-XYGWBWBKSA-N 426.516 4.763 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCc1cnc[nH]1)CO2 1871355640 RSGMBQSNCAHFFW-ZBKNUEDVSA-N 439.874 4.521 30 10 IJEE Cc1cc(O)c(CN2CCC(N3CCCCC3)CC2)c2c1C(=O)/C(=C/c1cccs1)O2 1871398841 RWYZCYRZIDVJPB-JCMHNJIXSA-N 438.593 4.829 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 1872131149 PBXGUEBNUKVNAJ-QHCPKHFHSA-N 444.597 4.706 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1C 1872311333 JWJGGPDEYNNLTH-QFIPXVFZSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872571752 LXNQEBWMBCHEMQ-AUSIDOKSSA-N 428.598 4.924 30 10 IJEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc1[N+](=O)[O-] 1872764811 YSZZYXMAKKCENQ-AWEZNQCLSA-N 426.885 4.928 30 10 IJEE Cc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873306606 LHBPLOBWEKRBSW-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccco2)c1 1874437041 YGQANSUGUKTZII-YDZHTSKRSA-N 425.558 4.690 30 10 IJEE CCCNC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874439292 UQGDCGMFUXDEPM-FOKLQQMPSA-N 442.416 4.674 30 10 IJEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)NC2CCCCC2)cc1 1874439533 HCAZZTNUAUKMMM-BUVRLJJBSA-N 427.618 4.598 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1C(C)(C)C 1874485930 TVHGXRWUWHDPHB-YDZHTSKRSA-N 432.590 4.538 30 10 IJEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)c1OC 1874489304 KUDJUWPUCSXTPI-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(Cl)cc1 1874515255 UZXLJOSBYJCNMN-FOKLQQMPSA-N 438.944 4.878 30 10 IJEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC 1874593677 WFELTBOPCJLQTJ-WUXMJOGZSA-N 446.341 4.601 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(N)=O 1874605813 HLGRVMYZJNRVCG-ZZXKWVIFSA-N 428.699 4.806 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)NCc1ccco1 1874619554 GVCKQCSLHCBQPK-CSKARUKUSA-N 449.503 4.587 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Br 1874625961 FLMHYSZZOOSIET-XVNBXDOJSA-N 438.268 4.528 30 10 IJEE COCC(=O)Oc1cc(/C=C/C(=O)c2cccc(Cl)c2)c(Br)cc1OC 1874699522 ZBRLPAGLSHJSFH-VOTSOKGWSA-N 439.689 4.559 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(N(C)C)cc1 1874707768 WFAJPKSSRAQJJK-NYYWCZLTSA-N 445.471 4.605 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(F)cc1Br 1898226418 YISMVYORJMLELS-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE CN(C)Cc1cccc(N=C(c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1 1903858881 ZGXOBLVQIVXKEB-UHFFFAOYSA-N 440.547 4.806 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@]1(O)CCc2cc(NC(=O)OC(C)(C)C)ccc21 1922058257 VLISHCQPTANRIQ-OZXSUGGESA-N 438.568 4.528 30 10 IJEE Cc1cc(C#N)ccc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1951403739 VDLOJALVNNIWFT-XMMPIXPASA-N 426.472 4.921 30 10 IJEE CN[C@H](CC#CC(C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997456986 UTYCTCFDCDSHTK-GJZUVCINSA-N 428.617 4.858 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2014113054 BQCQRQJCJRKTIR-HXUWFJFHSA-N 447.498 4.859 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NC 2028859906 OALXMAISINKEEP-HZPDHXFCSA-N 429.786 4.540 30 10 IJEE C=C(Br)CCOc1c(Br)cc(C[C@H](C)N)cc1Br 2045034543 IBHXAHWBWQXBQK-VIFPVBQESA-N 441.989 4.779 30 10 IJEE C=CCN(CCC(=O)NCc1cc(Cl)ccc1Br)C(=O)OC(C)(C)C 2060650294 CBBTZHVHSAKJET-UHFFFAOYSA-N 431.758 4.532 30 10 IJEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)c(O)c1 2079047782 PBFPEPHOKWKMMN-CQSZACIVSA-N 445.251 4.947 30 10 IJEE CC1(C)C[C@@H](CNc2ccc(C#N)c(Br)c2F)N(C(=O)OC(C)(C)C)C1 2106016601 IYQQDDWRZAJXRI-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2Nc2cc(Br)cnc2C#N)C1 2167615787 YFVFOHNQJAREFG-XLIONFOSSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(Br)cc2C#N)CCCCC1 2181131963 AWCXBNNKQZVAMZ-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1c1cccc(Br)c1C#N 2185155787 ZTUAPWOGQBRXLF-INIZCTEOSA-N 444.320 4.840 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CCN2c1cc(Br)cc(F)c1C#N 2197339073 IMMPWPZSHHMIEJ-RNODOKPDSA-N 438.341 4.734 30 10 IJEE C=CCC[C@](C)(O)[C@H](N)c1sc(Br)c(Br)c1Br 2216401028 KFTMRCSAXSUDSA-KOLCDFICSA-N 448.018 4.753 30 10 IJEE C[C@]1(C2CC2)CSC(=Nc2ccc(Br)cc2I)N1 2223678909 JKFBMXCZVYFGHO-CYBMUJFWSA-N 437.144 4.546 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2235744930 AKTLURSJFGIVSV-XKGZKEIXSA-N 435.406 4.672 30 10 IJEE C#CC[C@@H](C)C[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248473741 KXRQYYHMXIUXPO-FYYLOGMGSA-N 428.617 4.858 30 10 IJEE CC1(C)OB(c2cnc(NCc3cccc(OCc4ccccc4)c3)c(F)c2)OC1(C)C 2269006641 JXRUDTVKLJKKLU-UHFFFAOYSA-N 434.320 4.711 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3cccc(OCc4ccccc4)c3)c2F)OC1(C)C 2281761364 FNZUCEAHNYSAFM-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](N)CC#CC1CCCC1 2289846873 DKTLDIKRXYOSEG-UXHICEINSA-N 435.406 4.796 30 10 IJEE C[C@@H]1CC[C@@](O)(C(=O)C#Cc2ccc(Br)cc2)[C@@H](OCc2ccccc2)C1 2296222261 QEOBVIFUTYRKEP-MQNAVGNWSA-N 427.338 4.506 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CCNC(=O)OC(C)(C)C)C(C)C 2296269264 NFYCQKNIHSBQRD-UXHICEINSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@H](N)C#Cc1ccc(Br)cc1 2296288558 ILSLFIQELDRHTD-WTGUMLROSA-N 433.390 4.554 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2296294869 YLPXLDUXYXZTPI-MOPGFXCFSA-N 435.406 4.718 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc(OC)cc3)c(OC)c1)C2=O 2314527124 GCOFQSUXBOOCKD-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)cc1 2321993736 NAQAVNXMRCKNJJ-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 2322214519 QTHGQFWBJTYDPD-UHFFFAOYSA-N 441.483 4.816 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN(Cc1ccccc1)CO2 2322312322 PZFBXGGSMJXCTQ-UHFFFAOYSA-N 427.456 4.692 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2322968980 GWAUCMPDAOHWFP-UHFFFAOYSA-N 431.419 4.928 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2323627829 ANUACQJTUFWOAL-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc2c1C(=O)C(=Cc1cccs1)O2 2325521983 HOPAEESSRWBWQP-UHFFFAOYSA-N 427.428 4.968 30 10 IJEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] 2325722590 UORSGPNTTXIVQD-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2N=Cc2ccccc2Cl)CC1 2328145283 ILEUYQNMZZYFCS-UHFFFAOYSA-N 434.009 4.855 30 10 IJEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2cccc(OC)c2OCC)cc1 2328566343 YOVFGXPCVYQCFN-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1 2328579035 FULKWEUUFSHIEH-UHFFFAOYSA-N 432.549 4.882 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)c1 2328647905 ZXZBERCJXWGLAA-UHFFFAOYSA-N 443.576 4.684 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1cccc(F)c1)NC1CCCCC1 2330587510 JSEWNBTZJRJDHZ-UHFFFAOYSA-N 443.573 4.569 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(F)cc2)cc1 2331125983 XBIMCRBEVIJUSF-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 2331229751 CDHFGWOULRDCLS-NRFANRHFSA-N 439.464 4.591 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc2ccccc12 2331333878 KQJHHUKRYQVOQO-UHFFFAOYSA-N 447.564 4.658 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)ccc1O 2331376193 MDLUPQGVYXNRGF-UHFFFAOYSA-N 428.533 4.994 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)CC(C)(C)C 2331436344 PXMRSNZAPFWYLJ-UHFFFAOYSA-N 426.465 4.670 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccccc1Cl)Nc1ccccc1F 2331484457 PFINMJSBEVONHW-UHFFFAOYSA-N 443.935 4.951 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)COCCOC 2331707974 HOZUOGNFJJPBOH-UHFFFAOYSA-N 446.927 4.820 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1sccc1C 2331726264 ULROOVYLPILXFW-UHFFFAOYSA-N 425.583 4.701 30 10 IJEE CC#CCN(C[C@H](Cc1cc(Cl)ccc1Br)NCC)C(=O)OC(C)(C)C 2337921004 IAGAVGFXKPXUHA-KRWDZBQOSA-N 443.813 4.884 30 10 IJEE C=CCN(CC[C@@H](O)CCc1ccc(OC)cc1Br)C(=O)OC(C)(C)C 2339393761 QWUMZHJCTKRSOC-INIZCTEOSA-N 428.367 4.564 30 10 IJEE C[C@H]1[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339575426 WOGJTJVPZYOBDR-YFOSEYIMSA-N 444.381 4.893 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339600259 QXFVVGPUFMIVTB-LUOJLBBYSA-N 444.381 4.751 30 10 IJEE N#Cc1cccc(F)c1OCc1ccc(I)c(Br)c1 2350070412 QDMPOLUOVZEZEF-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2360196899 ABJFBIQPIKBMJP-RLLQIKCJSA-N 435.406 4.720 30 10 IJEE C=CCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3cccc(C)c3C)n2)SC1=S 12867477 BOPRAIUJEUWCFX-YVLHZVERSA-N 429.592 4.832 30 10 IJEE C/C(=N/OC(=O)COc1ccc(Br)cc1Br)c1cccs1 14022221 SCVKWBOUUXVJCX-MFOYZWKCSA-N 433.121 4.619 30 10 IJEE C=CCSc1nn(Cc2ccccc2)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 15839544 ACZHJTDIVSWLPE-UHFFFAOYSA-N 428.561 4.718 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N\c1ccc(C(=O)O)cc1 16929119 YKOVCEDDZVGSKZ-YKQZMZHDSA-N 438.505 4.582 30 10 IJEE Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccccc3Cl)CC1=O)N2 17095136 SQXAPVUMSBRBFR-XUSGNXJCSA-N 426.854 4.934 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@@H]2c1ccc(O)c(O)c1 19647739 HYIBLXOXMUHTEU-OAQYLSRUSA-N 448.548 4.640 30 10 IJEE C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1[C@@H]1COc2ccccc2O1 24045391 HKJLWIGSPKLRNE-BBRMVZONSA-N 427.530 4.510 30 10 IJEE Cc1cccc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2cccc(Cl)c2C)c1 32973559 JFQOZGRYBSLTHV-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN(CC)CC)c1 35486179 SOINOLJJFJWCKE-DEOSSOPVSA-N 446.547 4.553 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3cccc(F)c3)S2(=O)=O)cc1 103133498 VVTKWHXUMAIETB-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE CCN1CCN(c2ccccc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 108862198 JWEYKWBAXZRONY-UHFFFAOYSA-N 440.547 4.531 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(OC)cc2)cc1 169921765 DBSIISLSDAQFIS-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934708 DJNLPXMLGBDXNE-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(O)cc2)c1 169958917 LJEUCNJFCMXQKU-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)c1 170008983 CQUBWZIGSGRUDY-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)c(C)c1 170063427 CMBHVXCGYKSOOL-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 170064807 WUYAXRIKGHJNMU-QFIPXVFZSA-N 436.483 4.700 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cn(C)c2ccccc12 170084846 FIXFLZAXZGERSX-HSZRJFAPSA-N 444.487 4.539 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)o1 170100292 CADGXPNIMZARRJ-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(C)o2)c(C)c1 170103117 YFASAGJKVROJTJ-NRFANRHFSA-N 443.459 4.564 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1 170228874 DCQQNSWYVBVNLS-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1F 170247281 AIZJKGJMUZWSAO-OAQYLSRUSA-N 425.500 4.656 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(O)c1 170260385 JHFIDNJOAYVFHJ-REWPJTCUSA-N 449.547 4.755 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1C 170275496 HQEIVFPTWXKWOP-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2cccnc2)o1 170307527 BKSACBHGYBZDRL-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC)c1 170323713 JQPPIGPHTAABAY-QMHKHESXSA-N 435.520 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1cccnc1)c1ccccc1 170353621 TXYXBEAVBXPKIA-IBGZPJMESA-N 440.377 4.763 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 518404568 ZNIYQCYZSQFCSB-UHFFFAOYSA-N 442.567 4.650 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])o2)cc1 526604230 LKQGJXRXKCSISE-OAQYLSRUSA-N 431.404 4.515 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1OC 526815539 AQANYTSYGUDGFA-FMCGGJTJSA-N 446.960 4.830 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(OC)cc1 526826871 KPIMJTNZOWEDBU-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE CCN1C(=O)CCc2cc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)ccc21 544765126 VUWHKMQOWLVAJX-UHFFFAOYSA-N 425.488 4.689 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 564304147 SGCMCKQQZPUOCB-FQEVSTJZSA-N 430.911 4.603 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 579776151 YJLUBNMRPHSJFF-DEOSSOPVSA-N 426.520 4.958 30 10 IJEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1c1ccc(C)c(C)c1 581100598 QTIZUXFMLZLADO-HSZRJFAPSA-N 443.599 4.596 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N(CCC)CCC)C2)c1 585967789 SPIFSNADHGCUDT-JOCHJYFZSA-N 428.621 4.960 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)c1ccc(C(F)(F)F)cc1 586258227 JAKCTMNKYLHYBR-UHFFFAOYSA-N 432.851 4.866 30 10 IJEE Cc1ccc(OCCCC[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 586352200 TVELNBMCFPRBIL-NOVUIFNWSA-N 444.622 4.599 30 10 IJEE CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Br)cc1F 609058609 HFNIQIWGNWWITF-UHFFFAOYSA-N 429.245 4.908 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 670197064 RCVRJBOPCOJTEC-KRWDZBQOSA-N 439.501 4.679 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)CCOc2ccc(Br)cc21 698963372 XOMIGPOQWIGLAY-SFHVURJKSA-N 436.310 4.888 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)CCCO2)[C@@H]1CCOc2ccc(Br)cc21 733631431 CBLARMRFJDAHKH-LJQANCHMSA-N 441.325 4.765 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccccc3C(F)(F)F)c2)s1 740506439 ALKNGMZYJPGADT-UHFFFAOYSA-N 429.423 4.560 30 10 IJEE COc1ccc(CNC(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)cc1C#N 746767972 DROZGOJQKGRZDN-UHFFFAOYSA-N 432.524 4.776 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)c1 759107045 JAEPPERIPPCFCW-LJQANCHMSA-N 433.533 4.920 30 10 IJEE COc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)c1 762436713 FCPLQJZYZKNAHY-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 768131986 FCVGKYNNSYFEOJ-SNXNUMJZSA-N 428.891 4.617 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 806273498 XUDJLNPURQHIIN-WBBHLRKXSA-N 430.573 4.892 30 10 IJEE O=S(=O)(NC1CCCCC1)c1ccc(N=Cc2cc(Br)ccc2O)cc1 1084410171 PIHXXTNKTDAINN-UHFFFAOYSA-N 437.359 4.516 30 10 IJEE CCCCn1c(SCC(=O)NC2(C#N)CCCCCC2)nnc1-c1ccc(OC)cc1 1087873382 CJOMGHMUQBGSDG-UHFFFAOYSA-N 441.601 4.579 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1scc(Br)c1C 1124533497 BOYXTPVPLLRAHV-UHFFFAOYSA-N 425.300 4.562 30 10 IJEE C=CCC1(O)CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 1155857747 LOYQMQPVXDRDKO-UHFFFAOYSA-N 433.335 4.789 30 10 IJEE COc1cc(-c2nnc(S[C@@H](C#N)C3CC3)n2C2CCCCC2)cc(OC)c1OC 1164443972 IDTNOHFQRWEUEM-IBGZPJMESA-N 428.558 4.870 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 1165508195 NIGQZQCYDRZOQM-UHFFFAOYSA-N 434.323 4.549 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1ncc(Br)cn1 1165889016 KOWMOTMREQLMNL-AWEZNQCLSA-N 446.374 4.757 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2c(F)cccc2F)s1 1170713623 XBYPPWVOSHNEIM-AWEZNQCLSA-N 438.500 4.671 30 10 IJEE COc1ccc(CN(C(=O)Nc2ccc(Br)c(C#N)n2)[C@@H](C)C2CC2)cc1 1219696735 IFEBTMGWVYVKOX-ZDUSSCGKSA-N 429.318 4.557 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ccc(Br)cc1 1252459702 VMJBGFBBQMZXPN-OAQYLSRUSA-N 429.333 4.927 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2C1=O 1264096066 KQSZIBKFWMPBKP-OAHLLOKOSA-N 447.560 4.805 30 10 IJEE C=C1CCC(C(=O)NCCN2C(=O)S/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)CC1 1264215742 BJGJIRMLYABOLJ-HMMYKYKNSA-N 426.582 4.883 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 1264439297 CMWGCBYYIASOCD-UHFFFAOYSA-N 437.341 4.805 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCc2cc(Cl)sc2Cl)cc1 1264609395 QPXJKMCZBVAMNN-UHFFFAOYSA-N 447.409 4.823 30 10 IJEE C=C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)c1ccccc1 1264674805 JEERSJNCACCLBR-PMULYYKTSA-N 439.581 4.578 30 10 IJEE C=CCCSCCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 1278581435 JAZGEOIRFQJVSK-UHFFFAOYSA-N 433.371 4.741 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCSC2)C1 1286342105 MGVGLEVTYRGZLM-HTAPYJJXSA-N 431.005 4.818 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCCC1 1286518686 YJHJPIHPXNRXRZ-OAQYLSRUSA-N 443.389 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC1 1286518923 MWTWZCYJVZCRAJ-YADARESESA-N 442.007 4.550 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccc(OCC)cc1 1286598718 APUDIIGXNYRPGN-HNAYVOBHSA-N 444.486 4.913 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCOC[C@H](C2CCC2)C1 1286635978 HTEHBWGSQSDBLJ-GOSISDBHSA-N 449.020 4.584 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1286648980 OETVUCUQMRUCSJ-UHFFFAOYSA-N 433.503 4.743 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1286671748 YSOHOZKVODFSPF-HRTMPFAESA-N 429.653 4.823 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286691264 XPPZKXCUONCEHD-OAQYLSRUSA-N 435.641 4.997 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccoc1 1286692429 FVKIMPQMJJYYLU-UHFFFAOYSA-N 431.334 4.912 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1CC1CCC(F)(F)CC1 1286762368 GKNLJHHZOMZJLT-OAQYLSRUSA-N 430.543 4.843 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1286829946 NAZJCHDWPKFNKZ-NHCUHLMSSA-N 426.630 4.816 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1286834949 MGGMZUPZXNUELG-HXUWFJFHSA-N 432.659 4.663 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc2n1 1289217860 OHOUSFKRBYLODY-NRFANRHFSA-N 445.350 4.541 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC#N 1291083416 BHFWUOQCXSDNJE-GGPKGHCWSA-N 444.624 4.567 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 1293296866 GXNBLFBZSREVNJ-HNNXBMFYSA-N 436.965 4.796 30 10 IJEE COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1295940694 AAEPOCAQLLQWTQ-DEOSSOPVSA-N 427.504 4.596 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC[C@@H](C)C1 1300734543 WSZBCMZJTMEINB-WOJBJXKFSA-N 442.629 4.810 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCCN2CCOCC2)CC1 1300937271 MXVCPVRMBGZVQF-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2ccco2)C1 1300973456 XMKSWBVLFUCTBW-MOPGFXCFSA-N 440.519 4.737 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2c(C)noc2C)CC1 1301075578 JTVYIHQGOGMXSU-UHFFFAOYSA-N 437.544 4.550 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC2(O)CCC2)CC1 1301105909 NYIQBCKUVQJXCY-KRWDZBQOSA-N 430.980 4.779 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC)c2ccccc2)CC1 1301108056 MZKHPIJCAMBGSB-HXUWFJFHSA-N 430.556 4.522 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1301135727 PMOVYPYOANIZMM-KKSHJYNMSA-N 443.680 4.720 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCO[C@@H](C)C1 1301167865 GRICTVZHVQJMDJ-VQTJNVASSA-N 440.588 4.714 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@](C)(CC)C1 1301244952 ATKKXKKQOIKVAB-OAQYLSRUSA-N 439.387 4.850 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnn(C)c1)C1CC1 1301313641 DEMGZGBFSAZUGA-QGZVFWFLSA-N 440.979 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN(C(C)C)C1 1301363074 NZRHXGSNZMLLLY-IFMALSPDSA-N 443.661 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC2CCCC2)C1 1301556524 JYWSXJGBVYVQPC-LJQANCHMSA-N 430.543 4.899 30 10 IJEE C=CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1308687392 AKUDHZQOTXPPDI-WWNPGLIZSA-N 444.616 4.684 30 10 IJEE Cc1cc(F)c(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c(F)c1 1309152222 DIAHBSMYWHSPRA-UHFFFAOYSA-N 430.451 4.988 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3N3CCC[C@@H]3C2)cc1 1310196114 LGPJTNQDKRZVAH-HSZRJFAPSA-N 430.552 4.517 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 1310862294 GSTMERNOYBYCBH-GOSISDBHSA-N 444.373 4.658 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC3(CC2)CO[C@H](CNC(=O)OC(C)(C)C)C3)c1 1311298093 IZCDOJANDDMPCN-FQEVSTJZSA-N 429.561 4.647 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CC(C)(C)COC)c1ccc2c(c1)OCCO2 1355189900 IRLFKNQYFKESCU-UHFFFAOYSA-N 425.525 4.619 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(F)ncc1C)c1ccc2c(c1)OCCO2 1355189902 IUBMESUWGBYWLC-UHFFFAOYSA-N 434.467 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1358873732 NMEDTGPVEGENCF-SLFFLAALSA-N 441.595 4.526 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1358913917 CGKMDKZMZVGXQC-LEWJYISDSA-N 429.008 4.966 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1358933143 JJFONZUPBXSTFN-KNQAVFIVSA-N 447.410 4.505 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[C@H]1CCCCO1 1359003533 OJOPJUKNMBSLIF-UYAOXDASSA-N 426.630 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](CCC)C1 1359092794 GJDCQPRHCOZYRN-TYPHKJRUSA-N 430.980 4.585 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1359168840 KZZLYEDUNBBBEC-MBSDFSHPSA-N 430.618 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC[C@@H]21 1359184558 SIAWLWSFPUDEJD-AEFFLSMTSA-N 426.561 4.562 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(C)(C)C)CC1 1359200039 QILRRKYQVYTYQK-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1359201123 CZYPXLJCQGJQCS-UHFFFAOYSA-N 447.505 4.687 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCSC1(C)C 1359259397 VDKNYPXSRBQFQD-OAQYLSRUSA-N 433.625 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCC(=O)NCc1ccccc1 1359261578 NWXZHAWISXBMTL-UHFFFAOYSA-N 437.613 4.536 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ncccc1N(C)C 1359268217 IGAFGMZGEIBTPB-SFHVURJKSA-N 448.640 4.819 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1359274509 PMQWDVLXUFQGTC-FQEVSTJZSA-N 449.565 4.695 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)OC 1359276370 AOQJYCQMQNIGGA-QZTJIDSGSA-N 440.613 4.994 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359338913 LWHCNZUGXWHZRB-HXUWFJFHSA-N 438.601 4.502 30 10 IJEE C#C[C@@H](NC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1436649513 TVGOMVBHDWLDST-PXDATVDWSA-N 438.955 4.709 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(C#N)CCC1 1451662245 AVTJFNYOISLDAW-DEOSSOPVSA-N 443.547 4.670 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N[C@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CCCCC3 1458737358 YJVPKKPMLAIBJJ-DNVCBOLYSA-N 447.670 4.944 30 10 IJEE C=CCC1(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OCC)CCCC1 1460028606 YUDJPNCQXCIKBG-UHFFFAOYSA-N 446.547 4.748 30 10 IJEE C=CCN(C(=O)CN1CCO[C@@H](C)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1460817701 OOUUPIFDAOSRNN-AWEZNQCLSA-N 440.396 4.747 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 1462881443 SDMKPHMRNLGGBR-UHFFFAOYSA-N 435.973 4.904 30 10 IJEE C=CCOc1cccc(NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1465382834 SDLFJCLCYYVNTF-CHWSQXEVSA-N 444.322 4.886 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(Br)cc1 1465806300 DNQXYZJNGXPYNH-IBGZPJMESA-N 443.732 4.843 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(Br)cc1 1465806301 DNQXYZJNGXPYNH-LJQANCHMSA-N 443.732 4.843 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1472275712 RQRNPEXEZKNGFC-PBYQXAPXSA-N 434.602 4.899 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCOc2ccc(Br)cc21 1477284626 ZKBWUKZDXRGYLJ-NWUOFUOCSA-N 431.374 4.742 30 10 IJEE C#CC[C@@H](NC(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1478246959 ZFCZXKKIAULIBV-HSZRJFAPSA-N 433.552 4.544 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(CC)cc3)nnc2N2CCC[C@@](C)(C#N)C2)c(C)n1 1500518357 IEEGQRREOLHCJV-SANMLTNESA-N 445.615 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCSC1(C)C 1507519670 JELWHPMCTOBJJN-GOEBONIOSA-N 433.419 4.697 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507557986 VBQIXJOIPPWGII-QHCPKHFHSA-N 442.611 4.647 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1ccc(-c2ccsc2)nc1 1507709384 UFJLIARXNSCZSU-UHFFFAOYSA-N 443.576 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC1(C)C 1507815471 HGUZFHNBMVXBNI-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1F 1507823908 PPYHDNFCJTVABW-FQEVSTJZSA-N 443.567 4.940 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccoc1C 1507833885 LWRQYNOYORLDEI-UHFFFAOYSA-N 431.334 4.734 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1507839492 FUJFJAVCTLJXCI-UHFFFAOYSA-N 431.584 4.799 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCCS2)CC1 1507877750 FYSDXZWCOVNEOH-OAHLLOKOSA-N 437.382 4.899 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1507899668 PNVQCNKVGUJSNF-UHFFFAOYSA-N 431.462 4.817 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1507952139 MYFFNECYJDOWME-HSZRJFAPSA-N 437.632 4.752 30 10 IJEE C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1507982266 LURDOCUBWVHSNV-XUZZJYLKSA-N 435.641 4.830 30 10 IJEE C[C@H](OC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1cccc(C#N)c1 1518183581 DAJIBESKLBBJEV-MSOLQXFVSA-N 434.517 4.516 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 1521944803 OTQNHYPKMZAVHH-QHCPKHFHSA-N 426.582 4.940 30 10 IJEE C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)c1sccc1S(=O)(=O)C(F)F)c2C#N 1527031727 CWUFVBLSBKKRRT-BDAKNGLRSA-N 430.523 4.616 30 10 IJEE C#CCN(C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)C1CCCCC1 1527456085 OYLNSKBSGPVCFY-UHFFFAOYSA-N 440.385 4.922 30 10 IJEE CC(=O)[C@@H]1CC(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)=NN1c1ccccc1 1529820771 XXHQPHGISHEJKH-QHCPKHFHSA-N 448.592 4.987 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C1CCOCC1 1532934052 JYVKBJPBIBPKRY-LJQANCHMSA-N 432.289 4.539 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(F)c(Br)cc2OCC)cc(OC)c1OC 1534814024 GTUKJTSQZVCEPI-UHFFFAOYSA-N 438.293 4.985 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 1537626719 IGVQSTHADUUMGX-GGAORHGYSA-N 426.507 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNc1ccccn1 1538984449 IWRFXUWYEZTTIO-SFHVURJKSA-N 434.613 4.631 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)C[C@@H](C)C1 1539601297 YUNRIIVEKMJVPF-CHWSQXEVSA-N 425.321 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1c(F)cccc1Cl 1539628073 MYEIPRXZZUFNJJ-IERDGZPVSA-N 443.954 4.694 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539694751 LXBQUMFPDIUKQA-IRXDYDNUSA-N 445.995 4.914 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(COC)CCC1 1540087295 VEIJBIGITGRUSD-UHFFFAOYSA-N 425.360 4.603 30 10 IJEE C#CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)C[C@H](C)C2 1540364334 JYALRYUSADWWJD-DOMQTXCISA-N 426.516 4.738 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cccs1 1541611572 DIHRMIPISXHPFA-XMMPIXPASA-N 447.564 4.794 30 10 IJEE CC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1542016032 DQNCPCLYWKTNSV-HXUWFJFHSA-N 438.334 4.511 30 10 IJEE C=CC1(CC(=O)Nc2ccc(F)cc2OCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1543770063 BZOAABNHJRGKMZ-UHFFFAOYSA-N 432.414 4.519 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)C(F)(F)F)cc1 1544661848 YXTZRJPVFHWEKR-SFHVURJKSA-N 448.422 4.667 30 10 IJEE CCCN1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)C1 1547180164 ASWREMWLPPJCHV-ROUUACIJSA-N 447.052 4.694 30 10 IJEE CCO[C@H](CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)C(C)C 1547847739 FCTDTCWNNONVPO-XMMPIXPASA-N 448.615 4.931 30 10 IJEE C=CCN(CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)Cc1cccc(C#N)c1 1559508960 SVEWNKURVDBYNL-AREMUKBSSA-N 449.982 4.697 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC[C@H](C)Sc1ccc(Br)cc1 1563952875 DBTKNGDAIDQRJG-HNNXBMFYSA-N 435.387 4.994 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1565002674 MRRDBFDFJDPMFD-GOSISDBHSA-N 437.943 4.632 30 10 IJEE C=C1CCC(CNC(=O)N2CCN([C@@H](CC)c3ccc(Br)cc3)CC2)CC1 1565322110 VVOSXSHIBKGCKF-NRFANRHFSA-N 434.422 4.974 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCc1ccc(Br)cc1 1565644766 DIRDMIHGZMTCRL-UHFFFAOYSA-N 440.341 4.514 30 10 IJEE COc1cccc([C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)N(C)C)c1 1587431474 GGMOFVCYKPJTLT-XMMPIXPASA-N 429.520 4.700 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CCOCC1 1587562614 RGBWNVLUPPDCEG-OALUTQOASA-N 445.007 4.963 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1CCCCCC1=O 1589609459 YVKCYEWJFWJHSW-UHFFFAOYSA-N 435.572 4.886 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCN(CCC)CC1 1589731457 KJFFXHRYWLVFNY-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1594134428 QKCOVYSLYXLKND-QGZVFWFLSA-N 432.037 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1594460692 AHQYKOFQCWGPIW-WOJBJXKFSA-N 425.533 4.603 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1594709198 LGENFNQQBIYJOK-SFHVURJKSA-N 429.996 4.697 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCNC(=O)OC(C)(C)C)C1CC1 1595038289 SGFPQSPNVUPWGB-UHFFFAOYSA-N 431.968 4.668 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCC2)nc1 1595260381 IWRHSPQRDNMIHF-UHFFFAOYSA-N 448.615 4.738 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCC)C1 1595689230 SPNWVDOHHHEWOR-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=CCC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1O)c1ccc(C(F)(F)F)cc1 1597058835 VRDLTLTVNHOSMQ-IBGZPJMESA-N 434.458 4.663 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)c1ccccc1 1598378957 BFAQILXUMZKRLN-XMMPIXPASA-N 439.515 4.705 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)C#N 1614534729 DUVNSACBEGZLRP-TZIWHRDSSA-N 434.588 4.942 30 10 IJEE C=CCOc1ccc(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)cc1 1616823766 KBKXBOGMKCJLFQ-NRFANRHFSA-N 436.552 4.667 30 10 IJEE C=CCCC[C@H](NC[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccccc1 1620542999 PLUJLVOSXSXQLK-GOTSBHOMSA-N 446.513 4.854 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 1624011281 AMDAKAKZSDKFFZ-AWEZNQCLSA-N 435.874 4.746 30 10 IJEE CCC(CC)[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)N1CCOCC1 1624788592 BLXQNFMMJMNJCE-QHCPKHFHSA-N 437.609 4.576 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@](O)(c2ccccc2)C1 1625538524 JZMSVCPGENYFNC-NRFANRHFSA-N 431.330 4.529 30 10 IJEE C=CC1(CC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CN(C(=O)OC(C)(C)C)C1 1625851421 BKLIWBIRGGEYLI-SFHVURJKSA-N 436.499 4.595 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1629794617 JIOAZOJLJGSCTB-FQEVSTJZSA-N 436.512 4.934 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 1633393560 MRHDWXFFOLNJQU-RBUKOAKNSA-N 427.426 4.742 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(Cl)c1N)[C@H]1CCOc2ccc(Br)cc21 1633715096 XCSJNIULSZWQDA-INIZCTEOSA-N 433.733 4.592 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1 1634911078 DJZYXECVNDXGRI-QFIPXVFZSA-N 428.598 4.576 30 10 IJEE CC1CCN(Cc2ccccc2CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1 1635024522 AXRLJUQBQPTQOW-UHFFFAOYSA-N 430.596 4.879 30 10 IJEE Cc1ccc(C#N)cc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1636344814 ANCJBMMPCCLKPH-UHFFFAOYSA-N 433.552 4.565 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(Cc2cccc(Cl)c2)CC1 1637613487 CCDKTEMNPRXJNC-KRWDZBQOSA-N 427.372 4.815 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(C#N)CC1(C)C 1641778822 LHFYCRNXJHHFAT-WNCULLNHSA-N 443.547 4.668 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nnc1-c1ccccc1 1643353078 AARMRUXWJLWICV-SFHVURJKSA-N 428.920 4.821 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C 1645789273 NNSPATQVYPZJGG-JCGIZDLHSA-N 443.371 4.664 30 10 IJEE N#Cc1cc(NC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)ccc1Br 1647797780 MPZUOKCJBXTQMU-UHFFFAOYSA-N 436.187 4.846 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)N(C)Cc1ccccc1Oc1ccc(F)c(Cl)c1 1651097787 TVWNUKGIZLHEEK-UHFFFAOYSA-N 425.847 4.824 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)cc1OC 1651333541 VCYABHIHHYWBNU-OALUTQOASA-N 432.358 4.685 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nc2cc(Cl)ccc2c1=O 1652365866 OBOXGVIEAGWTBE-LJQANCHMSA-N 446.931 4.642 30 10 IJEE COc1ccc(Cc2nnc(Sc3c(C#N)cnc4c(Cl)cccc34)o2)cc1OC 1655128659 DTXJGPMKUGWCIK-UHFFFAOYSA-N 438.896 4.902 30 10 IJEE Oc1nc(SCC#Cc2ccc(C(F)(F)F)cc2)nc2c1cnn2-c1ccccc1 1655979813 WLSBRHZIEZOSOJ-UHFFFAOYSA-N 426.423 4.684 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1OC 1658217559 KMOIOCCPIMDAMX-HKUYNNGSSA-N 436.980 4.745 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1c(Cl)cc(C)cc1Br 1659658382 IOPSCBCUARLGDV-UHFFFAOYSA-N 444.778 4.796 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccnn1Cc1ccccc1Br 1661022644 IIOMWVWWHVVLLM-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 1661161078 SNRVMIQIEUYSKQ-HXUWFJFHSA-N 428.602 4.539 30 10 IJEE N#Cc1sc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1Cl 1662544836 IDKDPDOHLOPWDF-UHFFFAOYSA-N 437.956 4.607 30 10 IJEE CCN(CC)[C@@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1cccc(OC)c1 1666148563 GUFGIZFZVNOJJF-VWLOTQADSA-N 434.584 4.539 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 1667015089 FEONCUQJVDLGIF-XXMUNEJQSA-N 438.597 4.789 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 1675079883 IAZIZHPRYAFNSE-HXUWFJFHSA-N 426.561 4.756 30 10 IJEE CC(C)Cc1ccc([C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C2CC2)cc1 1678191547 GNWFQMLDLFPERM-IZZNHLLZSA-N 430.596 4.756 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCCc1nc(C)cs1 1689828400 NTWCOTLYADPJIW-ROUUACIJSA-N 441.576 4.803 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690157232 AMFJIVJMJBZYJV-ZCNNSNEGSA-N 442.629 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H](C)Cc1cccs1 1690208930 COHUAPNWDWQFPX-OPAMFIHVSA-N 425.627 4.566 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2nccs2)CC1 1690249555 ZFMQQDXYNMAZAY-UYAOXDASSA-N 429.634 4.688 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1690284600 KNCRGMWOEWVWAV-LJQANCHMSA-N 434.588 4.684 30 10 IJEE C=C(C)Cn1c(N(C)Cc2ccccc2C(F)(F)F)nnc1[C@@]1(OC(C)C)CCOC1 1690296621 AKPWSCKLXRIBHG-OAQYLSRUSA-N 438.494 4.550 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@H]21 1690320570 XGKLBLTUKBJJKQ-GXRSIYKFSA-N 430.637 4.948 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(CC#N)CC1 1690476612 JHQVTNRIHHNRKH-UHFFFAOYSA-N 444.377 4.812 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1690533729 TXASBVZPYUGJBA-UHFFFAOYSA-N 434.588 4.508 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C1CC(C(C)(C)C)C1 1690587134 ZUTBWCKHUDOLAN-UHFFFAOYSA-N 428.602 4.524 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1690753063 YZJWJTITSZQCPC-VSKRKVRLSA-N 442.629 4.653 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2nccs2)n1 1691618242 AUAKCHOSSNVDHG-UHFFFAOYSA-N 449.609 4.580 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(OC)CCCCC1 1705588292 BJTWGOAHRGAVSY-HSZRJFAPSA-N 448.611 4.847 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCN1CCCC 1705671024 SLQGZUVFKVAFDM-GBXCKJPGSA-N 441.023 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(c2ccccc2CO)CC1 1705694053 NJRSCTIIGLBKTR-ZYKOEDHHSA-N 438.616 4.649 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(C)sc(C)c2Br)CC1 1705767038 YHFHRNSIDWJOHM-UHFFFAOYSA-N 432.391 4.919 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2c(ccnc2O)C1 1705801892 VCVDCLITRXQLGS-UHFFFAOYSA-N 441.482 4.566 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C)C1 1705814664 WMOUOVCJPOSKAE-CYBMUJFWSA-N 425.758 4.552 30 10 IJEE CC(C)CC1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1706370203 ARYDTSLUYKPANM-UHFFFAOYSA-N 434.632 4.891 30 10 IJEE C[C@H]1C[C@H](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)CCO1 1707975584 AXWMQDNUUDOINK-PKOBYXMFSA-N 427.980 4.934 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1708875621 DNTTZXFFMDTDIA-ZWKOTPCHSA-N 429.540 4.502 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 1712033089 BJPFSKWXIWVKGZ-MVLYANGWSA-N 439.629 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)cc(OC)c1 1722278351 CVQBOZAIVRAFSZ-JKSUJKDBSA-N 438.572 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](OC)c1ccccc1 1722279074 GIZQRIMRCOOPLR-LQWHRVPQSA-N 434.609 4.977 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1722363347 XDHGPTDWBJSEIL-FGZHOGPDSA-N 439.673 4.706 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCc2cc(F)cc(F)c2C1 1722485574 OVBJZSHSJZKBRX-UHFFFAOYSA-N 425.321 4.616 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1722494617 QUGQZLICNIBXFW-GDIGMMSISA-N 447.377 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(OC)C1 1722496305 KIHNXKJLYUAEQE-KPDCDPCYSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(OC)cc(OC)c1 1722510228 SFXLPUHFIORXHY-WMZHIEFXSA-N 442.604 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1sccc1Br 1722515112 IDCKQBBLCVUYFR-OAHLLOKOSA-N 425.396 4.794 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1722544203 FFOQGGVVGJUCLZ-SFHVURJKSA-N 425.964 4.700 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(OC)CC1 1722545996 DPCBGJGATPHBHT-LJQANCHMSA-N 439.785 4.856 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722601570 IFKKLNCKVPYFIR-LJQANCHMSA-N 444.023 4.644 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCC[C@H](C)C1 1722614946 WHLGPJDTFXWZOO-IBGZPJMESA-N 434.588 4.658 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1722634402 OMKXDGJCQPBNQW-CYFREDJKSA-N 428.577 4.711 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(F)cc1)C1CC1 1722645215 DWMUBBAAODOBIO-UHFFFAOYSA-N 444.352 4.583 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1F 1722664121 QSXWOGKYUQJRSB-MSOLQXFVSA-N 442.560 4.643 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCN1C1CC1 1723386843 DSGQOTCDNMVJRV-DEOSSOPVSA-N 445.615 4.600 30 10 IJEE CC(C)OCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C#N)CC1 1723716759 ANSVGEPBUDYEEW-UHFFFAOYSA-N 429.977 4.978 30 10 IJEE CC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)CC1 1726528694 DKFVHYHCCFJHDT-UHFFFAOYSA-N 448.615 4.624 30 10 IJEE CCC(CC)(Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@](F)(C#N)C1)SC 1727152226 ANCPZKWRBPLTLB-OAQYLSRUSA-N 431.581 4.529 30 10 IJEE CCCC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1727969792 FTIBSSAAICDDDM-XMMPIXPASA-N 425.552 4.886 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1CCCC 1740636523 SSTJTIQBTDVDPR-RUZDIDTESA-N 445.655 4.970 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@H]1C 1740661773 JJUVBKQABJLBDS-WOJBJXKFSA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCN(CCC)C1 1740663201 CFJRCDXQHOTZAZ-HXUWFJFHSA-N 448.640 4.568 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1740664952 KAWNLMKNPMLNID-IAGOWNOFSA-N 445.405 4.679 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1 1740724161 YHBZLDZYCDBNCR-INIZCTEOSA-N 439.075 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1ccsc1)N(C)C 1740726603 GKGMOMGMLDIULS-WIOPSUGQSA-N 433.625 4.864 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC)CCC 1740738055 DUNCJJPEVDRCKW-UHFFFAOYSA-N 429.366 4.870 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1740834797 INLMUDQYJSUZPB-LJQANCHMSA-N 449.599 4.582 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)C2CCCCC2)CC1 1740839902 QCANOBIBNZFWKQ-VWLOTQADSA-N 444.570 4.881 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1CC 1740847973 YVXNAXJIGZJBHH-WIYYLYMNSA-N 448.615 4.902 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740868587 NVCBDIOLOBCEJA-SJLPKXTDSA-N 440.523 4.599 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CCc1scnc1C 1740920831 WJKPBGSPALJSJA-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H](C)CN1CCCCC1 1740921694 FIEBHHAZYHGNKV-FQEVSTJZSA-N 438.645 4.660 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cn(CCCCC)nc1C 1748652023 WCGQVMWXNRBKFM-GOSISDBHSA-N 430.556 4.893 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCOC2(CCCCC2)C1 1748727330 PELQDYFHIBKGEJ-UHFFFAOYSA-N 436.600 4.763 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1749024451 QUKCFUAIQASMQA-APWZRJJASA-N 432.540 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)c(Cl)c1 1749163946 UXZTZIRYKNDMQO-UHFFFAOYSA-N 431.993 4.747 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@H](C)C1 1749187699 YHCIBNHWPRVWFD-OALUTQOASA-N 434.588 4.827 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1749256924 GJNRCFJMNXHLQT-UHFFFAOYSA-N 428.005 4.644 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1749305639 ZQAGKGJRTDWJII-NHCUHLMSSA-N 425.596 4.532 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1ncc(C)s1 1749536170 CILZZLLLWIPPBJ-DYESRHJHSA-N 448.596 4.763 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(F)(F)F)C1 1760148169 QXXNOMXTRAZJKN-KRWDZBQOSA-N 428.462 4.527 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1c(C)noc1C 1760195072 WEMBFZNVMGKZOM-PGRDOPGGSA-N 445.567 4.516 30 10 IJEE C=C(Br)Cn1c(N(C)CCOC(C)(C)C)nnc1C1(c2ccccc2)CCC1 1760313500 BTRLMOFDQUBCPS-UHFFFAOYSA-N 447.421 4.908 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccncc2Cl)CC1 1760393456 RBSXURDPJPELEV-UHFFFAOYSA-N 439.947 4.509 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1760430084 YRKSBUYUXQSSPA-GOSISDBHSA-N 429.634 4.890 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CCCCCC1 1760466954 OPORNCUAELCGBS-UHFFFAOYSA-N 439.387 4.871 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)c1ncc(C)s1 1760492843 IIVNUOYBNARTJT-GOSISDBHSA-N 445.596 4.878 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H]2C[C@H](OCC)C2(C)C)cc1 1760530027 ONSQVIAIKVKRRB-VXKWHMMOSA-N 435.572 4.526 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)o1 1761738281 GDQZDEJOUOWSRM-LJQANCHMSA-N 432.572 4.619 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1770580401 IDFQTGAYTYZPCF-YWTNHNAXSA-N 427.618 4.685 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1cccc(C(=O)O)c1 1772736622 NFFVKYXJUNBDSM-GNYMFXGWSA-N 443.322 4.937 30 10 IJEE Cc1oc2ccc(O)cc2c1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(C)c2n1 1859482301 ZUOLJXAWNJJCKW-UHFFFAOYSA-N 437.459 4.922 30 10 IJEE COc1cccc(-c2csc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)c1 1860804386 QUHPMPHJZORFIC-UHFFFAOYSA-N 427.576 4.971 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862481452 AKQHYPYNUZWHSH-DEOSSOPVSA-N 442.515 4.749 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCCN(C)C)cc1 1862489382 VFNIUTBHZSIJQC-XMMPIXPASA-N 434.580 4.786 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Br)cc1 1862599108 BWAJKOKHXVTGFY-GOSISDBHSA-N 430.298 4.533 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(Cl)cc(Cl)c1 1862611071 AONOVAXASSUASF-LJQANCHMSA-N 448.302 4.751 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 1862650005 LODWTUZFPCFSQV-XMMPIXPASA-N 446.522 4.899 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc(Cl)c1O 1862718470 AYSYYUAATVIKKS-NRFANRHFSA-N 449.890 4.948 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N(C2CCCC2)C1=O 1863747770 VFNDUIQYRMXVET-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1cccc(F)c1 1864828334 NDUPKIUBAOEGJH-FQEVSTJZSA-N 428.552 4.522 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@H](C)N(CCCOC)[C@H](C)C2)nc(-c2ccccc2C)n1 1869149707 WVFDXASVHWOIFT-ZRZAMGCNSA-N 449.643 4.566 30 10 IJEE Cc1ccc2nc(-c3ccc(-n4nnc(C#N)c4NC(=O)C4CCCC4)cc3)sc2c1 1870157839 LSUHJDHKLSJUJW-UHFFFAOYSA-N 428.521 4.853 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1CCN(CC)CC 1870340366 FIZMBNOBNCPMQX-UHFFFAOYSA-N 444.019 4.597 30 10 IJEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc(F)cc2)cc1=O 1870812431 CSTBHCYIRLLRBD-QFIPXVFZSA-N 428.891 4.551 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccc(F)cc4)ccc3C2=O)cc1 1871366162 VKEUZUGLPYGLHM-AMUWGTMJSA-N 444.414 4.847 30 10 IJEE CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)CNC(=O)c4ccccc4)c3C)C2=O)cc1 1871367018 UKPFVAXYGQVNAZ-HAHDFKILSA-N 441.483 4.509 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1OC 1871367294 DHWSQNLNTKKSCZ-HAHDFKILSA-N 445.471 4.562 30 10 IJEE Cc1cc(O)c(CN(C)C2CCN(C)CC2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871393104 NLNLQLKQJSEUDN-MTJSOVHGSA-N 444.934 4.635 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)ccc3C2=O)c1 1871440958 PSAQTZLCDZBOLD-YVNNLAQVSA-N 437.398 4.607 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccncc2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871554143 ZRGLXLUZLWGFRM-UHFFFAOYSA-N 429.572 4.520 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccccc1 1872099124 BCXPLNFJFQVULT-HSZRJFAPSA-N 439.581 4.788 30 10 IJEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1ccc(O)cc1 1872725920 BMKLBPFAIUENSI-UHFFFAOYSA-N 425.513 4.899 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1I)c1nc(-c2ccccc2)cs1 1872767878 CUDFTXJAPJGATK-AWEZNQCLSA-N 430.270 4.905 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(F)c(F)cc3F)C(=O)N(C3CCCCCC3)C2=O)cc1 1873240756 LVIYEDFUGHCGDY-UHFFFAOYSA-N 439.437 4.890 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873272227 GLPRTZRZWYNPRY-DEOSSOPVSA-N 449.510 4.596 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(F)cc(F)c3)C2=O)c1 1873318680 JOMRDAJEQANBMH-UHFFFAOYSA-N 443.453 4.846 30 10 IJEE C=CCn1c(C(=O)Nc2cc(OC)cc(OC)c2)cc2c(N(CC)CCCC)ncnc21 1873654680 PYHPOVJPRGLTNT-UHFFFAOYSA-N 437.544 4.513 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874243966 HXPVWUHAEXEXTJ-OEAKJJBVSA-N 425.558 4.939 30 10 IJEE Cn1cccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCCc1ccccc1 1874315951 SYZNUGLEHKXCMZ-LHLOQNFPSA-N 445.592 4.845 30 10 IJEE Cn1cccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCc1cccc(F)c1 1874317359 ORACPYWMJAMLQJ-YZSQISJMSA-N 449.555 4.942 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SC)cc1OC 1874346007 RJOYMMREMZHMFS-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccn1 1874352801 CBSIFKNIVWHEFO-CVKSISIWSA-N 429.549 4.873 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1 1874412063 ZZDMWWICHJDGHZ-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE CCCOC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874463645 SXXYSVFYEJZNOL-FOKLQQMPSA-N 428.480 4.522 30 10 IJEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874495489 NRKJEGPUWAENEQ-AWQFTUOYSA-N 437.363 4.573 30 10 IJEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874507861 YULNUMSXBCSWQM-WSDLNYQXSA-N 425.514 4.636 30 10 IJEE CCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccc2ccccc12 1874527734 CQBHBIHBMWSZNG-CVLFLDGLSA-N 443.576 4.845 30 10 IJEE CCCOC(=O)COc1c(OC)ccc(/C=C/C(=O)c2ccc(C)cc2)c1Br 1874596578 RLFNKGAAIYFWLR-PKNBQFBNSA-N 447.325 4.994 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 1874616161 LUJJZBNOTYHJBL-DHZHZOJOSA-N 427.453 4.530 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)c1 1875145772 SBJXFRGUANJVSE-QPJJXVBHSA-N 438.867 4.571 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1F 1875153096 PLNGTXWNEBMIAF-GORDUTHDSA-N 447.178 4.961 30 10 IJEE N#Cc1cc(N)c(OCc2cc(Cl)sc2Cl)c(I)c1 1883055355 NSSWBUTZLKRZEV-UHFFFAOYSA-N 425.078 4.692 30 10 IJEE N#Cc1ccc(CC[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1951513137 HGSYCEZMHBTRLF-FQEVSTJZSA-N 440.499 4.730 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(I)cc1[C@@H](C#N)C(F)(F)F 1952254164 RUOOIIMYJXUMGH-SNVBAGLBSA-N 426.176 4.808 30 10 IJEE CC(C)(c1cccc(C#N)c1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952493001 ACHDMMQSSXTHPV-DEOSSOPVSA-N 440.499 4.828 30 10 IJEE N#Cc1cccc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952779123 JWTQMFVBERTNKR-ILBGXUMGSA-N 438.483 4.955 30 10 IJEE COc1ccccc1N=C1SC(=Cc2cccc([N+](=O)[O-])c2)C(=O)N1CCCSC 2053497806 FAMHJGNOTHYJSR-UHFFFAOYSA-N 443.550 4.961 30 10 IJEE C=CCN(CCC(=O)NCc1cc(Cl)cc(Br)c1)C(=O)OC(C)(C)C 2060650757 JOEQZXXDDMZXAE-UHFFFAOYSA-N 431.758 4.532 30 10 IJEE Cc1ccc([C@@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)c(F)c1 2079031055 FIONZXZFZHZTSY-UPWAIKHBSA-N 429.277 4.687 30 10 IJEE Cc1nn(-c2cccc(C(F)(F)F)c2F)c(I)c1C(F)(F)F 2079673900 FYRPTDLPCLSWCT-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H](CNc2ccc(C#N)c(Br)c2F)C1 2105979518 UHENYNQFKNHZLS-CYBMUJFWSA-N 426.330 4.909 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2110497798 KTCHGCCRBLJWQE-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE N#Cc1cccc(CNc2c(Br)cc(Br)cc2Br)n1 2125921900 BFPAEUVQEIFVTG-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)c(C#N)cc1F 2174808106 KHIHQLNADOVRAY-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE CCC1(C(=O)Nc2ccc(C#N)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2181132039 BRWZBYACMALWOF-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE Cc1cc(Br)c(C(=O)Nc2ccnc(C#N)c2)cc1NC(=O)OC(C)(C)C 2186641792 AMSBEELTLIFVDD-UHFFFAOYSA-N 431.290 4.624 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1ncccc1NC(=O)OC(C)(C)C 2235731520 QKZOBTDIKWMMEG-KRWDZBQOSA-N 430.346 4.893 30 10 IJEE CC1(C)OB(c2ccc(F)cc2C(=O)N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241480012 CXJIEBWDUXOJFU-UHFFFAOYSA-N 445.343 4.968 30 10 IJEE C=C(COC(C)C)[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256701130 IIFLZFNUZMMHQQ-HSZRJFAPSA-N 446.632 4.790 30 10 IJEE COc1cc([C@H](O)C#Cc2cccc(Br)c2)ccc1NC(=O)OC(C)(C)C 2296226309 FJUZOYRYYOZJDH-GOSISDBHSA-N 432.314 4.890 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)C(F)F 2296267661 WAQPZXBPARORFB-NVXWUHKLSA-N 445.348 4.575 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@H](O)C#Cc2ccc(Br)cc2)cc1 2296275860 BGJHKXBBRLDAJF-HXUWFJFHSA-N 430.342 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296277153 OVRJHOAZWRNSHK-RBUKOAKNSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC1(CNC(=O)OC(C)(C)C)CCC1 2296289156 OSUZJYWYXQLHOD-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2296294884 YMMGDYKIQRJVHJ-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1 2296931563 VYDNCOOIQQCEHC-HSZRJFAPSA-N 446.478 4.631 30 10 IJEE COc1cc(N=C2NC(=O)SC2=Cc2cccc(Oc3ncccn3)c2)cc(OC)c1 2297473199 BSBJLWZGJUTMQC-UHFFFAOYSA-N 434.477 4.814 30 10 IJEE CCOC(=O)c1nc(-c2ccccc2)oc1NN=Cc1cc([N+](=O)[O-])c(F)cc1Cl 2297718066 ZZKUROIHUKJHSZ-UHFFFAOYSA-N 432.795 4.665 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@](C)(C(=O)O)C1CCC(NC(=O)OC(C)(C)C)CC1 2306617287 JSEVJLZCLBDCRA-UXIGSVSMSA-N 430.589 4.992 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2308428443 QQYKFWLEOCTCRP-BUKPSGGLSA-N 443.544 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2313368914 FCERTWRCJFJYFT-UEQSERJNSA-N 444.616 4.542 30 10 IJEE O=C(O)CCOc1cccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1 2314930646 HCKFUGITSRCISI-UHFFFAOYSA-N 437.304 4.739 30 10 IJEE CC(C)c1nnc(SCc2ccccc2F)n1N=Cc1c(C(=O)O)[nH]c2ccccc12 2321844653 MVZRPKQVIJZAFI-UHFFFAOYSA-N 437.500 4.895 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3C2=O)c1 2323153469 UVJHDELBMWOUIR-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCOc1cc(C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)ccc1OC(C)C 2323229911 KVZSDRARNJSFGW-UHFFFAOYSA-N 426.904 4.518 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)c1OC 2323720517 FJGHVFWTYRHQPF-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE C[C@@H](NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O)c1ccccc1 2325019303 HNDGNTQSVBVHNX-GOSISDBHSA-N 442.515 4.625 30 10 IJEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(OC)c3)ccc2OC)c1 2325702612 VNICJWQCSBFUIZ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)cc1OC 2325726937 SXZZAZKOLTXRGB-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)c1 2325761394 NFYYMGLMBLPZQA-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(CCc2nnc(SC)n2N=Cc2ccc(C(C)(C)C)cc2)cc1OC 2326158814 FNSMMPZTPGTVJW-UHFFFAOYSA-N 438.597 4.982 30 10 IJEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(O)c(O)c1 2326341809 QKXFRGMNOIWQQP-UHFFFAOYSA-N 440.569 4.648 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1OC 2326538148 QSQHQWDGEMRIPN-UHFFFAOYSA-N 428.945 4.988 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccccc1OCC 2326765462 MKAFHJIJGQHWAR-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccnc1 2328675292 HGHUQUQGQZCLKN-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3cccs3)c(OC)c2)c1 2330777213 OHVFKLSHCJNNAR-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc(F)c1 2330805448 PNFIFDAENXYMQS-UHFFFAOYSA-N 443.523 4.758 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(F)(F)F 2331112576 YZDVJKSSZVVNAZ-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2-c2ccco2)cc1 2331173993 YMDKDJYWVSVNLM-UHFFFAOYSA-N 432.505 4.808 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCCO)cc1OC 2331351982 RQBJWUGFJGYXTK-UHFFFAOYSA-N 434.606 4.555 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccs2)c1 2331498000 XTLIFQJPIGCQPW-UHFFFAOYSA-N 425.583 4.837 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCC2)cc1 2331543901 NFESTJYPRMQTLN-GOSISDBHSA-N 433.581 4.706 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2ccc(C)cc2)c2ccccc2)cc1 2332190390 MPUJJPTZJKZGEF-UHFFFAOYSA-N 435.487 4.635 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2339199357 ADGJTSDQKLGWRB-SJLPKXTDSA-N 427.383 4.968 30 10 IJEE COc1ccc(CC[C@@]2(C=O)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1 2339378392 BAUXUOBVMDNOIN-FQEVSTJZSA-N 426.351 4.607 30 10 IJEE CC(C)(C)OC(=O)N1[C@@H](CNc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@H]21 2358976818 AXLIEFYVYMDSQL-DDUZABMNSA-N 435.366 4.696 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2360194796 RXXPIHGHJXBXRE-UFYCRDLUSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2360197920 YQHMASWDDUWYGL-FHWLQOOXSA-N 435.406 4.718 30 10 IJEE COc1ccc(Br)c(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1 2364847346 ACQSPYFSLNUDOB-UHFFFAOYSA-N 439.546 4.549 30 10 IJEE C#CC[C@@H](C)C[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703333 BQOJQNIURBTJJG-KOLCDFICSA-N 426.703 4.588 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 9697067 VBXQPGGKIFMUPB-UHFFFAOYSA-N 449.370 4.928 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3ccncc3)n2)cc1 20835638 KCAHRRMUBGCYQZ-SXJXFNOXSA-N 437.573 4.670 30 10 IJEE COc1ccc2c(c1C)CCC/C2=N/OC(=O)c1ccccc1I 33295237 VSMRJZXWNPEWFY-FXBPSFAMSA-N 435.261 4.506 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2CCCOC(C)C)cc1 54143207 XTDGGGMMUVZPDN-HSZRJFAPSA-N 430.589 4.659 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc1OC 100540925 VPCMWOVEZJHPQZ-LDADJPATSA-N 427.298 4.829 30 10 IJEE CC(=O)Nc1ccc(/C=C2/S/C(=N/C(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1 103707698 IJBPMOOSRXVMAO-YAHVQSTDSA-N 441.512 4.962 30 10 IJEE N#C[C@H](NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1F 111028896 AXCDEHROHPGLFO-HDFUYHJRSA-N 441.441 4.607 30 10 IJEE CCN1C(=S)N[C@H](c2cc(Cl)c(OC)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169931579 MAHMVWAHICDLTC-LJQANCHMSA-N 430.957 4.765 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2c[nH]c3ccccc23)c1 170077451 LXEJWGPYZATLQJ-XMMPIXPASA-N 437.499 4.958 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(OC)c2)cc1 170118068 GNCVJZLCZCWHTJ-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(O)cc1 170132311 MLSLYOAQAQAJKX-QFIPXVFZSA-N 445.471 4.506 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1OC(C)C 170150456 ADBDCHQAKQFLLD-DEOSSOPVSA-N 449.547 4.577 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccnc1 170193354 YFPXZYHFJXJTSX-QHCPKHFHSA-N 441.531 4.861 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cn(C)c2ccccc12 170269414 CELAWBVVGFAETD-QFIPXVFZSA-N 436.483 4.704 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2C)c1 170275643 VQVRPEDQNBWOTJ-NRFANRHFSA-N 443.927 4.662 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)ccc1Cl 170292574 OQKPTNPOINYTAR-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)cc1C(C)C 170292816 HGQGAVKTCZGZPS-QHCPKHFHSA-N 446.503 4.975 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccco1 170294835 YCCLZIWETSRWLK-NRFANRHFSA-N 427.497 4.846 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H]1c1cccs1 170478191 SMNWEPPDHLSCOR-KRWDZBQOSA-N 443.506 4.781 30 10 IJEE COc1cc(C=NO[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC(F)F 254855807 HKUOXLIFXLXUOJ-QGZVFWFLSA-N 446.494 4.517 30 10 IJEE CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc21 261113498 IJFMLJQTZKPAMK-UHFFFAOYSA-N 442.096 4.570 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c(F)c2)OC1(C)C 405013064 ZBFASRCJWWCFSA-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 442275003 NXIFUNYTSCBIBI-RTWAWAEBSA-N 445.485 4.986 30 10 IJEE CCn1ccnc1[C@@H](NCC1CCC(C#N)CC1)c1ccc(I)cc1 442880242 XYABIOKCMWMSTC-RJYAGPCLSA-N 448.352 4.517 30 10 IJEE COC(=O)C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(C(F)(F)F)cc1 477538912 FUBCKYWNTKJVEF-MRXNPFEDSA-N 425.794 4.656 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCC(O)(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@@H]12 504203226 WXTDWTMLFMQYPE-GPUWNAPISA-N 444.015 4.938 30 10 IJEE biogenic CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)cc1Cl 526822316 HOHKDDNITNDUSS-CFRMEGHHSA-N 425.945 4.939 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 549685134 CIVWTTYCSWOYOW-FQEVSTJZSA-N 443.473 4.821 30 10 IJEE C=CCn1c(SCC(=O)c2ccnc(C(F)(F)F)c2)nc2cc(Cl)ccc2c1=O 572073616 LGPAUZPIWDJYEN-UHFFFAOYSA-N 439.846 4.625 30 10 IJEE CCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 586228373 BCMBOQROPYUGNQ-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C#N)ccc1F 687753638 ONMBHJKFNKLVEA-AREMUKBSSA-N 444.462 4.926 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(C2CC2)C(=S)N[C@@H]1c1ccc(O[C@H](C)C#N)cc1 731433779 VCMWVVQGTSGYGF-JLCFBVMHSA-N 435.524 4.510 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 732708617 RZILSHYEXFGWLL-HXUWFJFHSA-N 432.499 4.714 30 10 IJEE C#CCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 733246275 LBBARYQWGNKLEB-NBVRZTHBSA-N 442.515 4.501 30 10 IJEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 742412360 MLAOAXLVDXPXQN-UHFFFAOYSA-N 448.331 4.917 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc1C#N 752303682 RRNFUOMEYPDJND-QGZVFWFLSA-N 447.539 4.574 30 10 IJEE N#Cc1ccc(F)cc1COC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 767504262 AFXQZPNQQMWKJV-UHFFFAOYSA-N 440.500 4.890 30 10 IJEE N#Cc1ccc(N2CC[C@@H](OC(=O)c3csc(-c4cccc5ccccc45)n3)C2=O)cc1 778190893 HBHRZUPOWLBIRP-JOCHJYFZSA-N 439.496 4.797 30 10 IJEE C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 790693986 FTZIFJSTGIAIIS-FXAWDEMLSA-N 441.503 4.727 30 10 IJEE C=CC[C@]1(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 792546914 GVNNLMARNQDDLN-DNRQZRRGSA-N 446.563 4.850 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 802550221 RBZNUBISNSPTPV-UHFFFAOYSA-N 431.968 4.668 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)c1 1125569905 BIBJTSLYWKFMID-UHFFFAOYSA-N 435.527 4.528 30 10 IJEE C#CCN(C(=O)[C@@H](CC)Oc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1126227523 AIJHZSRPZJEELV-WOJBJXKFSA-N 442.353 4.901 30 10 IJEE C#CCO[C@@H](C)C(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl 1126843859 NHJKNAWLZVTZTI-NSHDSACASA-N 432.705 4.623 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)C(C)(C)C)cc1 1128143445 IIRYYZBNAYIVTC-HXUWFJFHSA-N 438.543 4.879 30 10 IJEE C#CCN(CC#N)C(=O)c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1138769187 LDNYTMGGCYXVAG-UHFFFAOYSA-N 449.510 4.955 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 1141726519 PSEQFLMCBXFEBN-CRAIPNDOSA-N 439.394 4.746 30 10 IJEE C#CCC1(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CCCCC1 1156690819 TTXTXUYCONHSDT-UHFFFAOYSA-N 448.947 4.736 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 1161319163 CPBKCGCTJMUYTE-LJQANCHMSA-N 428.960 4.549 30 10 IJEE N#Cc1c(F)cccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 1208578715 ARMFNWZNGMNWAH-FQEVSTJZSA-N 445.313 4.528 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(c4cc(Cl)ccc4Cl)CC3)cc2n1 1220157664 RQKPEOVCEFANFT-UHFFFAOYSA-N 430.339 4.883 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](CC)Oc1ccccc1C(F)(F)F 1222917720 DFQJKNJQSNMHLM-MRXNPFEDSA-N 440.462 4.736 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc(OC)c1OC 1225350977 RXHFTARXKLUIBY-UHFFFAOYSA-N 436.552 4.502 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cccc(Br)c2C)cc(OC)c1OC 1225351075 TXHLAFJGEFTKSZ-UHFFFAOYSA-N 433.346 4.503 30 10 IJEE C#CCN(C(=O)NC[C@H](CC)CC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1230172725 RRNTZNUGHPNWHM-CJNGLKHVSA-N 447.295 4.896 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1cc2ccccc2o1)C1CCN(C(=O)OC(C)(C)C)CC1 1234207407 JIEDXZGCIDMTDD-QGZVFWFLSA-N 425.529 4.538 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(Cl)ccc1Oc1ccc(C)c(C)c1)C1CCOCC1 1253355199 TUQKEOWIGXXSKR-JOCHJYFZSA-N 426.944 4.977 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccccc1F)[C@@H]1CCOc2ccc(Br)cc21 1265210805 VKDRJGYREYXCBI-QGZVFWFLSA-N 438.243 4.666 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1)c1ccccc1 1277180186 AVYBONXQHWZOJZ-QFIPXVFZSA-N 430.529 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOCC)CC1 1286283451 XQESPZOBBOYMRU-KRWDZBQOSA-N 445.405 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C(CC)CC)no1 1286301450 DXUOHXISMUUXLT-IBGZPJMESA-N 435.572 4.872 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C(F)(F)C12CCC2 1286454465 XXCIDBVJQFZDLK-YLJYHZDGSA-N 444.526 4.712 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCSC 1286499666 UCNUYNMNUUGMMU-INIZCTEOSA-N 434.700 4.687 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CC[C@@H](C)N(C)Cc1ccccc1 1286517367 ULMOXFBRVTYEFX-FQRUVTKNSA-N 431.584 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cccs1 1286518303 DFCBDMPRGCDKPP-MHECFPHRSA-N 436.581 4.919 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N(CC)[C@H](C)C1CCC1 1286542635 CUSVPUPBBYTLOM-QGZVFWFLSA-N 447.421 4.995 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1286543001 YVCXXENMMFKDKU-UHFFFAOYSA-N 431.300 4.829 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286569728 XFKKBZFTHQXEDK-SFHVURJKSA-N 443.592 4.612 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCOc2ncccc2F)CC1 1286656171 WMRRFEGYMROHOD-UHFFFAOYSA-N 427.911 4.614 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(Cl)c(OC)c2)CC1 1286661763 LLMTXOKPDUUAFW-UHFFFAOYSA-N 425.964 4.591 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC2(CCCCCC2)C1 1286703657 PXYCANMZRSFIMC-UHFFFAOYSA-N 438.616 4.968 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](c1ccco1)N(C)C 1286718553 NRXIRJHCPVNCKY-GOSISDBHSA-N 425.602 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1C[C@H]1CN(CC(C)C)CCO1 1286749379 QIALTKYUXJLICG-OAQYLSRUSA-N 443.661 4.547 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)CCC(C)C)C1 1286805038 PHIBVVXWMZAQOD-OFNKIYASSA-N 432.996 4.567 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1 1293331533 HQQFLMSHBGRZBZ-BHIYHBOVSA-N 429.515 4.789 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 1300339969 TYLAWWPDNCEOFN-MOPGFXCFSA-N 430.980 4.717 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](COC)C1 1300384372 OKVJGVXYVJNAPH-WOJBJXKFSA-N 445.007 4.965 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(CC)s1 1300517080 WXRIWSLRGNAOMC-UHFFFAOYSA-N 445.411 4.514 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)C(F)(F)F 1300602606 SHAUXGLDGFDRCZ-INIZCTEOSA-N 438.494 4.865 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1nc(C)cs1 1300602778 JFTOYQSMFKACSP-CQSZACIVSA-N 444.402 4.736 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1300937150 IKBVGVOAWADGLN-NRFANRHFSA-N 436.991 4.670 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1300956092 NZNXYSJBQYMNBG-FQEVSTJZSA-N 438.597 4.701 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301026908 DTVIWADELOZQSN-OAHLLOKOSA-N 434.302 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1301141683 PTHMLMNYGHLENG-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cccc(Cl)c1 1301459079 PXBARBZFBRWUNY-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(CC(C)C)CC1 1304719424 FJOUXYDXPAOWNP-UHFFFAOYSA-N 431.588 4.630 30 10 IJEE COC(=O)c1ccc2c(O)nc(CN[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc2c1 1307673628 BCVGDJLUNVOLFU-MRXNPFEDSA-N 438.487 4.511 30 10 IJEE C[C@@H]1CCCN(Cc2ccc(CNC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)C1 1311495244 HENXQBYUYSCLPL-OAQYLSRUSA-N 428.580 4.789 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)c1ccccc1 1312333995 GEAPKPVEJYQITK-QPPBQGQZSA-N 437.559 4.961 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 1313063728 FMBNUJRCSBUQQW-UHFFFAOYSA-N 448.327 4.902 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2cccc(F)c2F)[n+]2cccc(O)c2Cl)cc1 1320336237 APWXLELUZCUIGO-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1)c1nc(-c2ccccc2)cs1 1350510431 SCCNWIIUGGGKKN-FQEVSTJZSA-N 431.561 4.945 30 10 IJEE C#Cc1cccc(N(CC)C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1352790883 OWNBMSLYCAOAPC-UHFFFAOYSA-N 441.556 4.858 30 10 IJEE CC(C)Cn1ccc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)ccc21 1357766334 DEDQRGDBWBYWLI-GOSISDBHSA-N 434.927 4.814 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CCCCC4)n2CCC)c1 1358901231 DQVZERLATXWPLR-UHFFFAOYSA-N 447.608 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC1(CCOC)CC1 1359065067 IAOGAGVNSGVKKM-OAQYLSRUSA-N 443.389 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cc(Br)ccc1OC 1359112687 QFUKCLKPRQMHRE-LJQANCHMSA-N 449.393 4.742 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cc(C)on1 1359128152 LSQUTXVBFNUIKG-UHFFFAOYSA-N 441.601 4.801 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2oc(CC)nc2C)CC1 1359160684 ZZBDLMDLKOHUOD-KRWDZBQOSA-N 425.508 4.621 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCC(C)CC2)CC1 1359181731 FZZQIQFGHQYSQK-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC)[C@@H](C)C1 1359198069 HJSYVZMSSZMLCA-UNMCSNQZSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1CC 1359240017 DBZMPNLDGUEPKH-UHFFFAOYSA-N 439.604 4.626 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OC 1359276884 UOBHAMJKVHCPKT-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1359305144 UMODMFPGYGVJLV-SJLPKXTDSA-N 448.036 4.541 30 10 IJEE CCOC(=O)N1CCC([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 1436007456 DWSXFZRMKBJTEG-GOSISDBHSA-N 435.524 4.646 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 1441496087 OMCOXXAEHBXZCK-LJQANCHMSA-N 444.963 4.861 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)CCC(=O)c1cc(Br)ccc1OC 1444275679 FTEHMZOWPVFKDV-UHFFFAOYSA-N 444.329 4.753 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2c2cncc(Br)c2)cc1OC 1456072704 ZWEWBACKXRIMCC-FUKPKEADSA-N 443.341 4.794 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2cncc(Br)c2)cc1OC 1456072711 ZWEWBACKXRIMCC-GXVATQTDSA-N 443.341 4.794 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1 1458856134 QYZCRTNFGJERSR-LJQANCHMSA-N 437.609 4.968 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)C2(c3ccccc3Br)CCCCC2)n1 1459755667 ATKTUFIEKWUFPU-UHFFFAOYSA-N 428.374 4.529 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N(C)C2CCN(C)CC2)cc1 1461070871 AOTULPSXIZVUNK-UHFFFAOYSA-N 442.401 4.604 30 10 IJEE CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Oc1ccccc1C#N 1462312392 DMLORXQRCNLFHW-HSZRJFAPSA-N 441.531 4.560 30 10 IJEE C#CCN(C(=O)c1cccc2cccc(O)c12)[C@@H]1CCOc2ccc(Br)cc21 1465180142 XNGPYZTVHMRNAE-LJQANCHMSA-N 436.305 4.907 30 10 IJEE Cc1ccc(-n2c(SCC(=O)NC[C@@H](C)C#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1465201576 DSDOSTCYPGNTMZ-SFHVURJKSA-N 447.608 4.908 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(F)c4)CC3)cn2)cc1 1465220539 FNEGXUNSDOEABO-UHFFFAOYSA-N 432.455 4.960 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccnc1Oc1cccc(F)c1)c1ccc(Cl)cc1F 1467593368 UEJHIQUJFGVEKM-HXUWFJFHSA-N 427.838 4.979 30 10 IJEE C#CCN(C(=O)NCCc1cc(C)cc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1468903534 IRUKCMKKYCAHKB-OAQYLSRUSA-N 441.369 4.777 30 10 IJEE C=CC(C)(C)CCCNC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 1471718261 RAQKOBUYAZWGRW-ZDUSSCGKSA-N 427.330 4.812 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(OC)c2)nnc1-c1cccc(Cl)c1 1473008856 JQLUKWSTLVVJTI-SFHVURJKSA-N 429.929 4.800 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)cc1 1476113349 LDJUMCXHBFBSMS-UHFFFAOYSA-N 447.423 4.569 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 1476221116 OKCZHHZDFPRVHU-XMMPIXPASA-N 449.576 4.994 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c(Br)c1)c1ccc(F)cc1 1477004259 DLFHEASSJMGTPM-OAHLLOKOSA-N 426.083 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(F)(F)F)cs1 1507521771 BTJXGJUEGZFKCT-LBPRGKRZSA-N 431.443 4.673 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cc(C(CC)CC)no1 1507526037 ACHGKZBRJAWGIU-QGZVFWFLSA-N 430.556 4.835 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cc(C(C)(C)C)no1 1507661192 OWXXCYIBSQQYDT-UHFFFAOYSA-N 441.579 4.545 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](OC)C(F)(F)F 1507682007 FXCVXUVFWQMAPY-SFHVURJKSA-N 440.535 4.702 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1507787723 GWPKNBFUEGFKBE-UHFFFAOYSA-N 431.378 4.532 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C(C)C 1507793681 FOCJXQZKVPGATB-FYYLOGMGSA-N 431.540 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC1CC(F)(F)C1 1507806313 MPXRWURVJRLJAN-SIKLNZKXSA-N 446.542 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1CCOC1 1507818226 LABTVRJGDULDTQ-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(OC)cc1F 1507819609 SFIPLEKJMNXFGC-UHFFFAOYSA-N 448.340 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccc(Cl)cc1 1507912257 FYMMOTINSUZFIG-UHFFFAOYSA-N 426.952 4.506 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1507915137 SYEYGMCGOJIHNK-LJQANCHMSA-N 425.625 4.634 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1507925049 XYKHVKKBKJSCTD-FYYLOGMGSA-N 448.615 4.822 30 10 IJEE C=CCCCn1c(COCC)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1507956552 PRIPIPLLNXRBHT-UHFFFAOYSA-N 441.576 4.691 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507960519 ZHDGQRRWCJYASH-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCCCN1CCCC1 1507976581 DBIIIUJBBKXXDZ-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccc(Cl)nc1 1507982854 POIQJOIIBYHPSS-UHFFFAOYSA-N 446.382 4.970 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1(C)CCC1 1508039540 YXSPVFOYJBIKBJ-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1 1508168089 SZSWFIMFXRZJHI-UHFFFAOYSA-N 425.602 4.663 30 10 IJEE C=CCN(C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1522165090 GJGBUNBKWFOGGU-VQTJNVASSA-N 437.433 4.905 30 10 IJEE COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)COc1cccc(Br)c1C#N 1523563045 ATMMVTMROHVXII-JXFKEZNVSA-N 444.325 4.663 30 10 IJEE C#C[C@H](NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1528088755 PZZCCCGKQUWLEX-ROUUACIJSA-N 437.378 4.569 30 10 IJEE C=CC[C@H](C(=O)NC1CCN(Cc2cccc(Br)c2)CC1)c1ccccc1 1528423791 MGAOJKNHZJSBNO-QFIPXVFZSA-N 427.386 4.890 30 10 IJEE N#Cc1cccc(N(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C2CCC2)c1 1528692633 GLGOBBIPDUIOEA-UHFFFAOYSA-N 427.426 4.903 30 10 IJEE CCOC(=O)c1c(NC(=O)CSCc2ccc(C(C)(C)C)cc2)c(C#N)cn1CC 1529321846 HPTHHAODONVRTD-UHFFFAOYSA-N 427.570 4.726 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 1530911126 USSCTPDMQKZRCV-IBGZPJMESA-N 428.488 4.644 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)OCC 1531649308 GPBJNECUGOHMNH-HXUWFJFHSA-N 434.458 4.945 30 10 IJEE C=CCC1(C(=O)N2CCC(Oc3ccccc3I)CC2)CCCC1 1534072408 YFQBOHNPJMZXME-UHFFFAOYSA-N 439.337 4.798 30 10 IJEE CCc1nc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)nn1-c1ccccc1F 1535625591 DKTXGNDLENWIJX-UHFFFAOYSA-N 427.439 4.885 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3ccc(C(=O)OCC)cc3s2)cc1OC 1537264432 FVRYXFRKHUZLJG-XFFZJAGNSA-N 438.505 4.698 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539079184 OZAFLFRMJBAOHP-SANMLTNESA-N 433.600 4.726 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1539391634 GLPWWRDJIRNCKG-PKOBYXMFSA-N 438.469 4.887 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1539693674 UAUHLTOHHGTYAN-NHCUHLMSSA-N 425.621 4.865 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(CC)cc1)OCC 1539702966 SUEHPTFDBQXHQM-FGZHOGPDSA-N 430.589 4.741 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC[C@H]2OC)CC1 1539860008 ZXIWFZIEIQATLQ-RTBURBONSA-N 428.602 4.551 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)c1ccc(C)cc1 1539961159 OUXQLVIGAGIDPN-UHFFFAOYSA-N 438.601 4.671 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCN(C)C1CCCC1 1540135981 FDGHHOSJFNYVRZ-UHFFFAOYSA-N 448.590 4.855 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCc1nccnc1C 1540137560 UQDMXCYILLMIBF-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1C 1540191249 IIIHAIVNICSTIF-SJLPKXTDSA-N 433.394 4.783 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@@H](c1nccn1C)C(F)(F)F 1542796927 AOJRUZRCMWMAFE-IBGZPJMESA-N 442.441 4.854 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1C#N 1543967953 FODQJZXEVRRJOH-INIZCTEOSA-N 442.313 4.563 30 10 IJEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC(F)(F)C2)cc1 1554891746 CHJGFYJHPWAPIJ-FQEVSTJZSA-N 443.542 4.637 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCCCc1ccc(I)cc1 1556796902 JRDJMXHQIWSTFH-GOSISDBHSA-N 439.337 4.530 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)C(C)C)c1 1561087692 ZBASBVYPKUXJLC-MBSDFSHPSA-N 428.598 4.792 30 10 IJEE N#CC[C@H](CC(=O)N(CCc1ccccn1)c1ccc(Br)cn1)c1ccccc1 1584482087 CLIJAKWYZGRRMM-LJQANCHMSA-N 449.352 4.902 30 10 IJEE C=CCN(C(=O)c1cc2c(Cl)nccc2s1)[C@H](Cc1ccccc1)C(=O)OCC 1585021223 QMWKQASKPIMBTC-QGZVFWFLSA-N 428.941 4.752 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCc2ccccc21 1587574416 HDZLWXWHWGVREW-WBVHZDCISA-N 438.373 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cc(Br)cs1 1587614204 FXNVMCYLMZGPMO-CYBMUJFWSA-N 440.370 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CC1CCC(C(F)(F)F)CC1 1587661848 HGZNXQGQUXXSAV-VIQWUECVSA-N 434.506 4.726 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@](C)(OC)CC1 1587712682 ZDGZQHVTPWEFOM-RUZDIDTESA-N 432.572 4.534 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1587812950 FMFHLQSDENKDIU-IBGZPJMESA-N 435.597 4.652 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CC[C@@](C)(CC)O1 1588186422 XXAMBMGYHMHVII-KDYSTLNUSA-N 441.579 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN(CC(C)C)C1 1589192258 MSCGRUMFSJHJRE-CJFMBICVSA-N 440.035 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1csc([C@@H](C)OC)n1 1589614820 HTRFQIJXQLAXIJ-CQSZACIVSA-N 432.981 4.608 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1594225616 CWWGVGYLOKTHAU-DEOSSOPVSA-N 447.583 4.917 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1594824472 IKLSHECPSSIJRY-OAQYLSRUSA-N 437.613 4.529 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1cccc(Cl)c1)C1CC1 1595062673 VJQRHXJXIBJTAN-JOCHJYFZSA-N 428.989 4.646 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCCCC1)C(C)C 1595165480 IALRECHUIRBGGV-DEOSSOPVSA-N 432.616 4.896 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@H]1C(C)C 1595191599 UFUWIHAWINJSBL-UTKZUKDTSA-N 430.980 4.847 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCc2cccc(C)n2)C1 1595700148 LARNZLQJBAAPFF-JOCHJYFZSA-N 437.975 4.716 30 10 IJEE CC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1611765231 HVDRTDMROVABFI-FQEVSTJZSA-N 432.341 4.777 30 10 IJEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)o1 1613864838 CULPHWROEWAMNR-XLIONFOSSA-N 448.571 4.651 30 10 IJEE CCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 1614593227 LOXAXBGHRYAOGH-XSSWQJIQSA-N 428.603 4.739 30 10 IJEE CC[C@@](C)(COc1ncccc1Cl)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1621945845 ARKXVASWUSNXHH-FQEVSTJZSA-N 449.985 4.656 30 10 IJEE CSc1nc(O)c(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2(C)C)cc1C#N 1624430918 PGYJJURZYVUYDJ-INIZCTEOSA-N 435.471 4.808 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc21 1627742334 ABRXYUMXBLWZJX-UHFFFAOYSA-N 443.473 4.591 30 10 IJEE C[C@H](CC#N)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1628808067 CEXGJRIHYKOYIZ-QGZVFWFLSA-N 433.581 4.742 30 10 IJEE C#CCN(C(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)[C@@H]1CCCc2ccccc21 1635885432 VFAKQBWDQOXVAE-XMMPIXPASA-N 432.564 4.907 30 10 IJEE C#CCN(C)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)C[C@@H](C)C2 1636805530 HWVDYRNXZRJZMN-LFVOPCPISA-N 427.548 4.636 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 1639118462 RTVWBTJADZKBIT-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 1645425718 CIPYXCWPBQPFMQ-QGZVFWFLSA-N 442.478 4.646 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@H](C)C3 1651729994 BSBIUELLNFIULN-UGSOOPFHSA-N 430.570 4.740 30 10 IJEE CC(C)[C@@H](CO)N(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccccc1 1653482169 HZMQWUNRRHTLGA-XMSQKQJNSA-N 439.625 4.592 30 10 IJEE Cc1c(S(=O)(=O)N[C@H](C)Cc2cccc(Br)c2)sc2ccc(C#N)cc12 1653882193 HWCVYGGZJWUXEY-GFCCVEGCSA-N 449.395 4.753 30 10 IJEE C=CCN(Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)[C@H](C)COC 1654211054 FHIUHMUHKLIJCI-CQSZACIVSA-N 427.492 4.869 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(N2CC[C@H](CO)C2)c(Br)c1 1656728834 PJUVUOOBFONPPR-HNNXBMFYSA-N 449.776 4.545 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(OC)cc1Br 1658057176 CDCRTDNGPBOWPQ-GJZGRUSLSA-N 437.403 4.773 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 1661124766 PSGBNUNSSXXCMG-UHFFFAOYSA-N 442.585 4.877 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)cc1OC 1665957194 QPVKLQQEUKKLPD-UZUQRXQVSA-N 436.980 4.793 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 1665968796 GXGGJZWMZSJAOH-XLIONFOSSA-N 447.988 4.604 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1 1666343200 WBZDTBPSNDWYIF-RBUKOAKNSA-N 429.561 4.752 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)COc1ccccc1F 1667292927 CGMKEUVEIAUZRI-AWEZNQCLSA-N 439.300 4.892 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@H](c3ccccc3OC)CC2)cc(OC)c1OC 1667711249 MYGPJDPXGCDLBB-FQEVSTJZSA-N 438.568 4.920 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 1669099019 QFBSQIZMSPGQTD-IBGZPJMESA-N 434.483 4.717 30 10 IJEE C=CCC1(CNS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)CCCC1 1669195840 CZWCVOBMBIEZRD-UHFFFAOYSA-N 426.298 4.883 30 10 IJEE CN1CCC(N2CCC(CCN(C)C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)CC1 1672201684 DSLDGDUDAUBXNT-UHFFFAOYSA-N 445.677 4.577 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 1676315994 HELPYFMTAXITQN-OAHLLOKOSA-N 427.998 4.889 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(Cl)cc1F 1682367707 QFZWBOTYHHAQDY-JXFKEZNVSA-N 443.954 4.908 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)c1ccccc1 1683733794 LAOWBDBPLXSSNJ-PKTZIBPZSA-N 441.597 4.700 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1ccc(Cl)s1 1689828645 QJBCNMJQZBXYFN-HUUCEWRRSA-N 432.952 4.973 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@H](C)c1nccs1 1690350907 ANFRPFLWBKTGPC-INIZCTEOSA-N 431.993 4.923 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1690367641 WGLKLPPDQZNKBT-UHFFFAOYSA-N 448.527 4.630 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1Br 1690486309 DOHUWWQWPPYDSJ-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 1690515272 IYPVETQOIIEIJE-HXUWFJFHSA-N 435.538 4.717 30 10 IJEE C=CCn1c(N(C)[C@@H](C)c2ccccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690652709 YFUMCEBLSYVQAL-YESZJQIVSA-N 429.540 4.571 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cc(F)ccc2SC)C1 1690710615 UYTPNUKYVKMYCC-LJQANCHMSA-N 444.601 4.621 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1690736487 GPBCNIFNZNHHFL-PZJWPPBQSA-N 443.661 4.857 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1690736682 LYTWZYHAZVLTQX-INIZCTEOSA-N 427.643 4.791 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC(F)(F)C1 1690997308 IAFIJPBRJZPMDI-RYUDHWBXSA-N 444.349 4.800 30 10 IJEE CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C#N 1693938869 GCENSTKRUZMYDZ-HNNXBMFYSA-N 434.382 4.652 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2CCCCO2)CC1 1698493927 CIOMBEYSLZJKKR-HXUWFJFHSA-N 443.979 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705483005 LVTXXSZQJVSPOL-MSOLQXFVSA-N 447.549 4.585 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)(COC)CC1 1705529435 IRSZVXMMOHJRPL-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1ccc(OC)c(Br)c1 1705666729 ICWHCWUUSAYVAP-QVKFZJNVSA-N 431.378 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC1(N(C)C)CCCCC1 1705718309 ILYHVWIPDLEXKH-UHFFFAOYSA-N 425.621 4.544 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)c1ccco1 1705729141 MUFYNCMWKCYUTB-LJQANCHMSA-N 437.544 4.530 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1705733879 WMPILFSQHSPFAU-HXUWFJFHSA-N 439.947 4.633 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(Br)cc2)CC1 1705779340 FXDRZQQNMDDCIP-UHFFFAOYSA-N 440.389 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705787868 HITHYKNHSQSFKR-NQIIRXRSSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccccc2OC)CC1 1705789141 ZSSLEGVQSKAGFH-UHFFFAOYSA-N 449.599 4.780 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1705793194 PAVGJCNKFDOOEX-UHFFFAOYSA-N 448.949 4.773 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCOCC2(CC2)C1 1705794260 AOYJJFMLSNFLHQ-UHFFFAOYSA-N 430.980 4.730 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCC2)C1 1705812353 XQROXNSOHZDYDV-IBGZPJMESA-N 426.561 4.542 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](F)C1 1705863775 FUFSBJKNQUZXKU-MSYCTHLASA-N 448.608 4.711 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc([C@@H](C)O)cc1 1705866274 LSFGGPWCYVZIHG-WIYYLYMNSA-N 438.597 4.528 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1705887265 WQYPVHXSZYGJGH-YLJYHZDGSA-N 442.560 4.990 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1705887877 NEFNSJBZEUPZCN-VQIMIIECSA-N 445.995 4.914 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1 1706819124 FPUPARYIRONFAG-IBGZPJMESA-N 434.613 4.637 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(Cl)nc1 1722277550 AAJXQRBKGXXUCD-HUUCEWRRSA-N 425.989 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC1(OC)CCC1 1722285983 ZPHQWUDMUDODMN-LJQANCHMSA-N 434.540 4.534 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722311041 BOVXEODGNDUHGY-FQEVSTJZSA-N 435.597 4.906 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(C)=C(Br)C1 1722320784 KBPVWZDVZAQPBU-UHFFFAOYSA-N 443.389 4.848 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCN(C(C)C)C1 1722404942 HMVVKINRENCMDA-VQTJNVASSA-N 439.673 4.711 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H](c1cccs1)N(C)C 1722417565 LTUVKNOOQCHTQH-HXUWFJFHSA-N 425.577 4.545 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1722450989 DYPWPIROKNWQGY-VNYTWHDVSA-N 442.604 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1cccc(NC(=O)CC(C)C)c1 1722469515 GNMGPTLNQMBANS-AREMUKBSSA-N 445.567 4.872 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1NC(=O)CC1(C)C 1722500344 CVXYHFRTQVAHOY-HXUWFJFHSA-N 441.645 4.593 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1722504860 HWEHEIXAQFCXMP-PTLVVNQVSA-N 447.583 4.836 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722529196 VTVNMBLNEJPKGU-OAQYLSRUSA-N 430.543 4.972 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722553846 CRRNQKSNHSHCJM-FUHWJXTLSA-N 438.016 4.503 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(Cl)c1 1722583214 MVBKISPQQDIWPR-UHFFFAOYSA-N 438.963 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1722586376 ZTIONRUHMXBJTK-UHFFFAOYSA-N 449.937 4.694 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722590435 DJIRMNHWPFRGQB-SFTDATJTSA-N 446.542 4.978 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1722607024 LLCXUVNDIQIPBW-UHFFFAOYSA-N 443.393 4.661 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCc2cccc(Br)c2C1 1722614385 LLLFZAYZGJTDJS-UHFFFAOYSA-N 438.373 4.940 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCc1scnc1C)C1CC1 1722646247 KTVJSAQADODSGO-UHFFFAOYSA-N 429.977 4.770 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CC1CCCC1)C1CC1 1722654206 ROCWGLHJZVQRKS-UHFFFAOYSA-N 431.378 4.965 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(Cl)ccn2)cc1 1722706109 NTBOIYLGMCQJFG-UHFFFAOYSA-N 448.958 4.582 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(CC(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 1724333357 BGOLJYWLYNWLLO-UWDQQESISA-N 439.579 4.785 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)N(C)C)C1 1726454068 FFPFAJHWCQPWKG-REHUZNOOSA-N 434.632 4.810 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1726853909 ICDPYSKVGSVAGX-FKRCVWNDSA-N 448.571 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OCC)CCCC1 1740538157 DBXWYNIEJMHIER-QZTJIDSGSA-N 426.630 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccsc1 1740539387 PFMXHVSCMYCSIX-HJPURHCSSA-N 440.638 4.703 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1coc(-c2cccs2)n1 1740674801 UAVSGTVVMGEYGM-UHFFFAOYSA-N 447.564 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCc1sc(C)nc1C 1740727653 UGQXIGITABQQIF-JOCHJYFZSA-N 425.989 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2)CC1 1740761091 MAIVKZCYZNBHRP-QPPBQGQZSA-N 437.632 4.565 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@H]1C 1740788371 UGCIXNFXBNEFQM-JKSUJKDBSA-N 449.393 4.544 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740819536 UAXJTZFJMLURHL-LJQANCHMSA-N 445.558 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1740845912 GDVRAGUULYESQV-OAQYLSRUSA-N 439.510 4.799 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC2(CCCCC2)O1 1740892691 LIGUHIIKOYHKGI-INIZCTEOSA-N 434.382 4.540 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1cnccc1OC)C1CC1 1740913094 DQHAUMSZFOJSKX-UHFFFAOYSA-N 441.988 4.831 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1nnc(CC)s1 1740917448 SNVIHINAMOTOFY-UHFFFAOYSA-N 447.612 4.537 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)c2nc(C)cs2)C1 1740974619 GQOQVBHIHPDYEZ-UWJYYQICSA-N 437.613 4.857 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1741132434 HVAVENPGFPAFRX-AYBZRNKSSA-N 437.485 4.973 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(N2CCCCC2)CC1 1748762247 IFRBUPSDUMKULX-UHFFFAOYSA-N 437.657 4.747 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1ccc(C)cc1 1748774958 AGCHCSGEXRFXDM-HNNXBMFYSA-N 429.387 4.951 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(C)(C)COC 1748777880 ZNGMCDHMDVTZDB-UHFFFAOYSA-N 433.394 4.538 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](SC)C(C)(C)C 1748914561 LHVDHEZVODUAPH-KRWDZBQOSA-N 435.435 4.945 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCC(F)(F)C1 1748937945 VYEPKCSGUWMCAF-SFHVURJKSA-N 432.515 4.541 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1ccc(Cl)cc1 1749127783 PFWXDVAVLRZJFG-GHTZIAJQSA-N 430.980 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749375982 NBMORCNTOZWYLC-HXOBKFHXSA-N 427.618 4.641 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1749397509 YBHZVBAMSVLDLJ-QFIPXVFZSA-N 430.600 4.716 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1749546862 FXHASZNPMVIFAN-XUZZJYLKSA-N 447.558 4.961 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1749548780 JIRBSEWRQMOCAS-WIYYLYMNSA-N 427.643 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)c(F)c1 1749552518 DRGIGHVPDZJFHU-OAQYLSRUSA-N 441.576 4.637 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1749591578 VSXBQCFEQMNHCW-AKIFATBCSA-N 442.604 4.799 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1C 1749595865 LMNRMOAWOMJUMB-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749760792 MOGMTHXYXSUGFM-OAQYLSRUSA-N 444.645 4.644 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCO[C@H]1CCCC[C@H]1C 1750062400 GJWLSJMXDABBDS-PWHSHALESA-N 447.587 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(CC)s1 1760101590 SQEQRGSNSHAGQH-CQSZACIVSA-N 429.387 4.838 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Cc1ccc(OC)cc1 1760124994 NIQGATWIRWIRLZ-BZRIBIQUSA-N 438.616 4.542 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760238238 NOZZGXXLVFLATH-IBGZPJMESA-N 433.625 4.543 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC(C)(C)C1 1760305375 CIBKGAHATOULSF-UHFFFAOYSA-N 441.377 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1760323511 DAOHCEFQUPXSGQ-BQUSRXHISA-N 430.637 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC1CCC(OC)CC1 1760336837 KCAIBEGNIMFSRK-YABDQXBESA-N 440.588 4.788 30 10 IJEE C=C1CCN(c2nnc(C3CCC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1760387111 HNBIUPCRCMVMEN-HXUWFJFHSA-N 429.609 4.882 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760434770 MDPYSBJUAWUWSB-UZLBHIALSA-N 445.405 4.986 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1760444180 ZLXQYNMDYWNLAP-VQTJNVASSA-N 449.020 4.574 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1Cc1csc([C@@H](C)OC)n1)C1CC1 1760476987 MHMYHIXJGBNXJZ-CQSZACIVSA-N 445.539 4.514 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H](C)c1nccs1 1760482835 SLIFXWFETKJZNR-LJQANCHMSA-N 430.581 4.717 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccccc2Cl)N(C)C)C1 1760534752 FWIZPXKVZXMMPF-WAOWUJCRSA-N 432.012 4.529 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSCC1 1760559252 FIFWCEVNMQXZRO-HNNXBMFYSA-N 425.023 4.544 30 10 IJEE C[C@H]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 1762790755 HKNRZRIMJKIMCW-RBBKRZOGSA-N 434.632 4.811 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC2CCCCCC2)CC(C)(C)O1 1763081415 HBGDWJFTPZPMEP-IBGZPJMESA-N 437.588 4.560 30 10 IJEE CN(C(=O)COc1ccc(Cl)cc1Cl)[C@@H](C#N)c1cccc(Br)c1 1857960576 NHXFAQHLXKTFNH-HNNXBMFYSA-N 428.113 4.858 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 1860278442 POXIWIFYDZJVKJ-HXUWFJFHSA-N 431.532 4.969 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861168516 KSKDYDHSQIZZRW-AREMUKBSSA-N 447.639 4.799 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 1862439218 WYASDKKONQPGSB-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862443599 RDFQPDLWGBICNL-QFIPXVFZSA-N 449.890 4.703 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1F 1862464243 RUWMHAAEOGKOEK-SFHVURJKSA-N 425.353 4.616 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(Br)c1 1862496675 PXGRDAQHGDKXKH-LJQANCHMSA-N 426.310 4.830 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862501702 IOZOYDQAECOBFS-HSZRJFAPSA-N 438.543 4.617 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862536774 HFHLYGAZLHIQMC-JOCHJYFZSA-N 433.504 4.557 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1C(=O)O 1862545561 CQHXVJGKYFGIRT-NYHFZMIOSA-N 433.504 4.640 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 1862659130 YNMZKRDPSIHMMQ-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccccc2C)n1 1867957424 WOJYJWOFJMUQAB-UHFFFAOYSA-N 449.599 4.688 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(-c2cccnc2)n1 1868001758 SRITYYPLPIZWLR-UHFFFAOYSA-N 446.986 4.697 30 10 IJEE CCCCOc1cn(C[C@@H]2CCCO2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181427 SOHXHCAIBUBBBA-FQEVSTJZSA-N 441.597 4.690 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CN(CC)CCc2ccncc2)cc1=O 1870409495 VGZPOZYPXYQXDV-UHFFFAOYSA-N 443.632 4.694 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN(CCC)CCCC 1870714000 UODHPJQKWRNRQV-UHFFFAOYSA-N 445.991 4.717 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871382249 PLRWIEDWSJJXLS-JPWOZWSLSA-N 444.439 4.918 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872061940 XMEQBWCGHPAKHD-JOCHJYFZSA-N 446.588 4.899 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872106662 LANNQLYIRHKPRD-AUSIDOKSSA-N 428.598 4.869 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 1872124819 GPGAOISEKAKAPI-MRXNPFEDSA-N 440.915 4.694 30 10 IJEE COc1ccccc1-c1csc([C@H](C#N)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1872766695 JKPXGEJVZYYSDX-QGZVFWFLSA-N 448.504 4.817 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873239398 NUWYDBMPVUEMIH-UHFFFAOYSA-N 427.209 4.789 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCC)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873289214 BHRCJBVOHKFFMO-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccncc1 1874213908 LDUQGDHLBIQAMK-ZVHZXABRSA-N 427.961 4.889 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccc[nH]1 1874228504 MRAFPTFJWJQSEQ-WGOQTCKBSA-N 445.548 4.925 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccncc2)cc1 1874406521 LSJORVKFGQKIRF-WGOQTCKBSA-N 448.596 4.717 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCCO)nnc2-c2cccs2)cc1OCC 1874425212 WQGLOSYQQBRYGD-PXLXIMEGSA-N 446.598 4.551 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1cccc(F)c1 1874487958 NOFMIVQGISOVID-DHRITJCHSA-N 439.560 4.846 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC 1874620187 NHJXHPNQEMFRSD-RMKNXTFCSA-N 433.907 4.987 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875130821 UBBBQMUOJWQEID-VTJDKEBTSA-N 436.504 4.803 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1875146069 CKMDEHAFFIHIKJ-VMPITWQZSA-N 449.390 4.620 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1F 1875148386 CQIGTAQIMVSECG-RMKNXTFCSA-N 434.419 4.721 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(Br)c3)ccc21 1891284199 VAQGBVOHRCEOGD-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE O=C(Cc1cc(Cl)ccc1Oc1ccccc1)NCC#CCN1CCc2ccccc2C1 1891633457 FURIQELURGGHPC-UHFFFAOYSA-N 444.962 4.853 30 10 IJEE C#C[C@@]1(Oc2ncc(Br)c3ccsc23)CCCN(C(=O)OC(C)(C)C)C1 1903178455 CIGHLNXKDRHNEQ-LJQANCHMSA-N 437.359 4.841 30 10 IJEE CN[C@](C#N)(CCN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2034754026 XVYLEGHGPVXGDP-NDEPHWFRSA-N 426.608 4.649 30 10 IJEE CC[C@@H](c1ccc(OC)cc1F)n1nc(C(C)C)c(C=NO)c1I 2080052557 NOUJRNFQUNZUBW-HNNXBMFYSA-N 445.276 4.566 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2136313802 BDCABIWDVBBQQL-MSOLQXFVSA-N 427.383 4.968 30 10 IJEE C#CC[C@H](C[C@H](NC)c1ccc(Br)cc1I)C1CC1 2142289312 YDCWXFAGWCXQCM-WBMJQRKESA-N 432.143 4.754 30 10 IJEE C=C([C@@H](NCCC)[C@H](O)c1scc(Br)c1Br)C(F)(F)F 2150568181 RHQTUXSYSQXPSD-ZJUUUORDSA-N 437.119 4.793 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1Nc1cc(Br)ccc1C#N 2162303992 XJGRDCJKQOSAFP-OALUTQOASA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)cc2Br)[C@@H](C(F)(F)F)C1 2163252865 DFXYRGLJUBPOBK-STQMWFEESA-N 448.283 4.778 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2163692859 ABZCKSFJXLTSDR-QFIPXVFZSA-N 428.349 4.952 30 10 IJEE C=CCCCCCCCC[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2207430810 YOCGVVOHZVFJOJ-WENCNXQZSA-N 437.602 4.810 30 10 IJEE C=CCCCCCCCCC[S@@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2207432031 LMVOPONXOQYRMN-IIMAJNMQSA-N 437.602 4.812 30 10 IJEE N[C@H](CC#Cc1sc(Br)c(Br)c1Br)C1CC1 2212248740 DRPDBAOTDLJKKQ-SSDOTTSWSA-N 427.987 4.515 30 10 IJEE C=C(I)COc1c(C)cc(Br)cc1CN[C@@H](C)CC 2231585579 BPWOZFJEWRCCGB-LBPRGKRZSA-N 438.147 4.973 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2235729984 OCIZYVLIWNXKNP-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2ccccc2Br)CC(C(C)(C)C)C1 2235733697 VDEPTJZZDYTGHI-OJCRERRGSA-N 435.406 4.848 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1sc(Cl)cc1Br 2250729681 PAOQQJCSGMJHKQ-SJORKVTESA-N 430.795 4.949 30 10 IJEE CC1(C)OB(c2cc(F)c(C(=O)N(Cc3ccccc3)CC3CCC3)c(F)c2)OC1(C)C 2267512207 LVIQSVOUWNOWLF-UHFFFAOYSA-N 441.327 4.707 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274222226 HTEHZRVUUITXDO-CQSZACIVSA-N 426.330 4.542 30 10 IJEE C[Si](C)(C)C#C[C@@H](OCCCN)c1cc(Br)c(Br)s1 2277375721 XUNKLRHHXOMRDJ-LLVKDONJSA-N 425.262 4.560 30 10 IJEE CN(Cc1ccccc1I)c1cc(Br)c(C#N)cc1F 2280257250 LKYJWONTHCMNOL-UHFFFAOYSA-N 445.073 4.701 30 10 IJEE C=CCCC1([C@@H](O)Cc2ccc(OC)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2280967999 YTKRJHASSKHTNY-SFHVURJKSA-N 440.378 4.564 30 10 IJEE C=CCCC1([C@H](NC)c2nc(C(C)C)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2281038612 UYRXQHDMEZBYKJ-OAHLLOKOSA-N 441.414 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C#Cc1cccc(Br)c1 2296217110 QRZVEUGSRSKFFH-IBGZPJMESA-N 428.326 4.506 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2296272246 JWWBORLISXMLHJ-RTBURBONSA-N 435.406 4.718 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(CC)cc2)cc1 2297742020 AEQPVPOADZVJPL-QHCPKHFHSA-N 446.503 4.961 30 10 IJEE CC(C)(C)OC(=O)NC1CC(C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317357131 SNUMKAWBWSIQDX-UHFFFAOYSA-N 430.354 4.551 30 10 IJEE CC(C)[C@@H]1C[C@](N)(C#Cc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321505008 OIYGYVFRVGKFNV-JTHBVZDNSA-N 441.369 4.565 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2CCCOc2cccc(C)c2)cc1OC 2322172151 IODOELZBMUXTQK-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)Nc1nccs1 2322638301 KMCWVLAPMFERFV-UHFFFAOYSA-N 426.469 4.513 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(OC(=O)[C@H]4CCCO4)c3C)C2=O)c2cc(OC)ccc21 2322926594 NIWBJUHYUQLELB-JOCHJYFZSA-N 447.487 4.679 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OCC(=O)Nc3ccccc3)c(OC)c2)c1 2323486084 ILKQRQOMZGZBAY-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)c1 2324807498 SEFPMQFGSMZUQS-HNNXBMFYSA-N 449.459 4.627 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2325045216 SFWXIQDFLCXPPT-UHFFFAOYSA-N 438.476 4.510 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 2325648508 RFIXJEXKXVGKRW-UHFFFAOYSA-N 432.860 4.657 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325649566 MSZBKBWNDNYTMC-UHFFFAOYSA-N 444.483 4.928 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)cc1 2325744257 VBBRJIGZWZGJNC-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326731181 HLKNRTBUPQCGKA-UHFFFAOYSA-N 441.315 4.872 30 10 IJEE COc1cc(C=Nn2c(COc3c(C)ccc(C)c3C)nnc2SC)cc(Cl)c1O 2327233261 OPXUMKOHAYBADW-UHFFFAOYSA-N 446.960 4.754 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2327976805 PICSYMYLJAPZTK-UHFFFAOYSA-N 445.932 4.715 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(C(=O)OC)cc1 2328559711 SWOHSDMESHWFCE-UHFFFAOYSA-N 438.553 4.645 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2cccn2C)c1 2328610731 QJSDQCRYFHIXGX-UHFFFAOYSA-N 445.592 4.893 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2ccc[nH]2)cc1C 2329407619 WMBZIRGMGYPAPA-UHFFFAOYSA-N 446.536 4.897 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccc(F)cc2)nnc1[C@H]1CCCO1 2330910380 WAPNXIUZIYQBHM-GOSISDBHSA-N 432.908 4.802 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccs2)c1C 2331173996 YPTLQNJWCWFJEW-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE COCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2331312358 LWFLZCKSYATTGP-UHFFFAOYSA-N 443.935 4.915 30 10 IJEE CO[C@](C)(CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)COCc1ccccc1 2339539421 HSJIYWUUMCWWIV-RUZDIDTESA-N 438.377 4.760 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339546784 KPKFBEKJZUGALS-MSOLQXFVSA-N 443.397 4.830 30 10 IJEE CC1CC(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)(NC(=O)OC(C)(C)C)C1 2339584908 HXTNBRMDXRBJGX-VAWYXSNFSA-N 444.381 4.798 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360196470 RHKAUJBDQOHBKA-GTAWCEEGSA-N 433.390 4.567 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(OC)ncc(Br)c1C 2370356874 KHHRDHYMFZJQBC-DOTOQJQBSA-N 442.398 4.671 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C#N)C1 9630221 OUJFBGHDHGDCEP-UHFFFAOYSA-N 435.958 4.519 30 10 IJEE COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(C#N)cc2)CCC(=O)N1c1ccc(C)cc1 15326638 BZOGXQPKCDATJE-BVAGGSTKSA-N 439.515 4.998 30 10 IJEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 21248264 KWHYOVBXGQXDCM-DOTOQJQBSA-N 425.912 4.621 30 10 IJEE C#CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 36345932 NSXSHNQUFISTRZ-XMMPIXPASA-N 447.579 4.504 30 10 IJEE O=C1/C(=C\c2cccc(Br)c2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 37857990 BBCJBBAQVGIPAG-SRZZPIQSSA-N 449.304 4.812 30 10 IJEE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814758 CMZKVLAVHYDJAL-NLRVBDNBSA-N 434.452 4.910 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCN(c3ccccc3F)CC2)C1=O 41585449 GDUWOPXRNUUZIW-XYGWBWBKSA-N 444.506 4.778 30 10 IJEE C=CCc1cccc(/C=N/Nc2nc(SCc3cccc(Br)c3)n[nH]2)c1O 58998170 DJNFUMXNTSQLKU-SRZZPIQSSA-N 444.358 4.740 30 10 IJEE COc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 169902779 INRYDBYBQDRTHQ-FBCYGCLPSA-N 428.124 4.621 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC(C)C)c1 169939203 BIPXLEVSDIMKLZ-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)cc1 169959711 ZLSGRBAGCXTBOL-HSZRJFAPSA-N 441.439 4.930 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1c(C)[nH]c2ccccc12 170104318 RQAJIUZGKAQZPC-QHCPKHFHSA-N 444.487 4.837 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC)c(OCC)c1 170127660 SEATWMFTKVMLMH-JOCHJYFZSA-N 435.476 4.828 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@H]3c3ccccn3)oc12 170174483 DXKKJPSYZPMHTM-QFIPXVFZSA-N 440.455 4.928 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1 170178741 HDWPSJVXVZGVMM-QHCPKHFHSA-N 441.531 4.861 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccn1 170180626 BUHKHCXBKDYDGP-LJQANCHMSA-N 433.533 4.892 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2ccccc2)cc1 170227160 OUYLDXWAZHWTQY-DEOSSOPVSA-N 440.499 4.607 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170229137 UMEDFUIXZBBAOY-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccco2)cc1 170291706 NNVQDTZWCWNVII-UGKGYDQZSA-N 439.508 4.606 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1c1ccccc1O 170314712 MUNNJPTZECAYQG-LHSJRXKWSA-N 447.512 4.868 30 10 IJEE C=C(C)COc1cc(CN2CCC(c3nc(C(=O)OCC)cs3)CC2)ccc1OC 433052945 NLWZKVVXOIVOMN-UHFFFAOYSA-N 430.570 4.663 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1 436369151 TTXWHCPGMPNEHE-UXHICEINSA-N 441.478 4.780 30 10 IJEE N#Cc1ccc(C(F)(F)F)nc1Nc1ccc(CCn2cc(Br)cn2)cc1 462874381 JVVJMYPBSMUBKG-UHFFFAOYSA-N 436.235 4.917 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 475575735 SFVKIECRYIPFQI-DEOSSOPVSA-N 437.584 4.742 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccn2)cc1OCC 526521142 KYIFKCYECNSENE-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(C)cc1 526830730 AHBHYWOTICXXRK-QRVIBDJDSA-N 426.542 4.872 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 549657804 KLGBBEHESPHXSR-INIZCTEOSA-N 448.398 4.667 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N(CCC)CCC)CC2)c1 586094029 WDORKTSBQHTHCE-UHFFFAOYSA-N 428.621 4.960 30 10 IJEE CC(C)(C)c1ccc(OCC[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 586297817 GMOUZKIDVUGPED-SSEXGKCCSA-N 444.622 4.562 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c(F)c1 609240366 CUIVWVNUXSPFKT-UHFFFAOYSA-N 439.494 4.609 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1=S 773257534 DTVJVQSSXPCGMO-SFTDATJTSA-N 442.629 4.584 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S 774592719 ZVABRGWEDNLIDP-GOSISDBHSA-N 445.589 4.878 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1 778297892 LYYORDPMSUMOSZ-HXUWFJFHSA-N 434.927 4.920 30 10 IJEE N#Cc1ccc(COC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c(Cl)c1 786794652 VWHQMJBULBFYNL-UHFFFAOYSA-N 432.933 4.573 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1=S 799943129 QEYAALCUKKVKMZ-NRFANRHFSA-N 448.640 4.945 30 10 IJEE CN(C)S(=O)(=O)c1cc(N=Cc2ccc(Cl)cc2Cl)ccc1N1CCCCC1 1084158570 YUIALPNFALAZJF-UHFFFAOYSA-N 440.396 4.985 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1sc(-c2ccc(C)o2)nc1C 1124535890 VMJYJQDYTDRXNQ-UHFFFAOYSA-N 427.478 4.763 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@]23CCCC[C@H]2C3(F)F)c(C(=O)OCC)c1C 1124757959 YZSBKPNDLRGBKA-XCLFUZPHSA-N 441.496 4.730 30 10 IJEE C=CCCC[C@H](C(=O)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1125590362 LTIVVDFJCLRUPK-QHCPKHFHSA-N 427.566 4.907 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1127662752 IWTGYIPNGZOXRO-FPTDNZKUSA-N 442.478 4.950 30 10 IJEE C=CC[C@@H](OC(=O)[C@H]1CCCN1S(=O)(=O)CCCC)c1ccc(Cl)c(Cl)c1 1128330701 QBPKAAOJRAMZFO-QZTJIDSGSA-N 434.385 4.748 30 10 IJEE C#C[C@@H](NC(=O)Cc1cc(Br)ccc1Cl)c1ccc(Br)cc1 1129731486 UXSUBNGNTLWAOU-MRXNPFEDSA-N 441.550 4.898 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 1130322172 CPEYWWRLFOVOQT-OALUTQOASA-N 443.341 4.506 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 1134236606 YFKRGFABFLUIKM-JOCHJYFZSA-N 440.584 4.778 30 10 IJEE C=C[C@@H](C(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)c1ccccc1 1142226552 XMGIQQHIQYTMJE-RUZDIDTESA-N 428.532 4.641 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 1163713265 YBXGTYGTIOAAQF-RTWAWAEBSA-N 442.943 4.667 30 10 IJEE CC[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)cc1C)Oc1ccc(Cl)c(Cl)c1 1189298327 ICNUHUXJMCUGMV-HNNXBMFYSA-N 427.353 4.652 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cn3ccc(C)cc3n2)cc1OCC 1200232094 GFTCUBKNSSXONM-UHFFFAOYSA-N 430.346 4.659 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1C 1204045619 QHYJGHQTFUOURD-QGZVFWFLSA-N 431.374 4.849 30 10 IJEE CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1214326211 CADQWNQYGYPJIE-UHFFFAOYSA-N 448.489 4.962 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CCCC1(C)C 1214410615 KUKFUHVHJMXVQZ-IBGZPJMESA-N 442.025 4.969 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCC(=O)OC)c2ccccc12)c1ccc(Cl)cc1F 1215913342 CWUWOZSRTMFHFJ-LJQANCHMSA-N 440.858 4.680 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 1216891741 RIOZQIDZSISJOG-QFIPXVFZSA-N 429.358 4.609 30 10 IJEE C#CCN(C(=O)NCC(C)(C)CC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1233574603 DGLVQMCLSNPZTE-HNNXBMFYSA-N 447.295 4.896 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1264879667 JOVMZJXGXBVQRD-FQEVSTJZSA-N 427.328 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCC(F)(F)C1 1286274361 LYGKUBCTOZJQAE-KBPBESRZSA-N 440.336 4.709 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC(C)C)nc1 1286439410 VQZFQHXNJYTKOF-UHFFFAOYSA-N 431.584 4.933 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccsc1Br 1286440928 NLONQNRKFHUMKT-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCO[C@H]1CCCC[C@@H]1C 1286455802 ZITSXUNZHVEAPP-RDPSFJRHSA-N 447.558 4.714 30 10 IJEE C=C(Br)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccccc1C 1286548345 NWCDXWNSDTXJSO-UHFFFAOYSA-N 427.350 4.902 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCCc1ccc(OC)cc1 1286557070 SYESOKBOGLMLCU-ISKFKSNPSA-N 438.616 4.995 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc2c(n1)CCCC2 1286580985 INFAIEBNURREMR-UHFFFAOYSA-N 437.538 4.872 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286619854 DTLVNQZSCCMPIS-WMLDXEAASA-N 425.360 4.685 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1286640294 IGUNGZZUXFMZLR-CLOONOSVSA-N 442.604 4.694 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1286652559 ZARQDIDELZIJKY-IBGZPJMESA-N 431.625 4.625 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCCSC)CC1 1286664518 YBXFIHFKVRQHOE-NRFANRHFSA-N 428.602 4.726 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286678012 NZBABNLAWOCRKD-RTWAWAEBSA-N 439.604 4.865 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC(C#N)CC1)C(C)C 1286750684 FRPUGPIOQLZWBT-DEOSSOPVSA-N 432.616 4.692 30 10 IJEE CC[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1Oc1cccc(F)c1 1291505236 FUMUQYUZOIQGET-MWTRTKDXSA-N 438.482 4.608 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 1291531335 ARWXUHRESFIMHC-CLOONOSVSA-N 436.604 4.955 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 1293882410 ZRKHXXRIPIMUQJ-KBMIEXCESA-N 444.547 4.593 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](C)C2)cn1 1294952113 CNQWHEPUYKCOFI-MOPGFXCFSA-N 430.556 4.531 30 10 IJEE C=CCC[C@H](NC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1)C(=O)OCC 1298020995 PSNPDRXTNVMALG-AWEZNQCLSA-N 445.566 4.738 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(OC(C)(C)C)CC1 1300385598 CPRKMRBUJPCVDN-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](C)S[C@H](C)C1 1300743358 NPUPWTQZFOOUFN-ZACQAIPSSA-N 446.711 4.828 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H](C)c1nccs1 1300974266 HEXDODFQHHJFIH-MRXNPFEDSA-N 431.993 4.888 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CCC)C(=O)C1 1301143756 QJMUMMPHUBPETK-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@H]1CC 1301148752 RNPHMEZWNYHTDH-TZIWHRDSSA-N 437.636 4.679 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1301207485 WUXBKIWAGYHXHS-SFHVURJKSA-N 440.588 4.954 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1 1301354826 KFOPCKOSRUZEAC-IBGZPJMESA-N 425.596 4.683 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC 1301529768 PCPBWJANCMQDDS-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1301615627 QXFJDLYUDKWGOG-JOCHJYFZSA-N 435.597 4.533 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cccc(C)n2)C1 1305878094 AYZLESRXFWWDBY-SANMLTNESA-N 444.583 4.691 30 10 IJEE C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1310888037 BVKMNKZHVPFXKT-KFWWJZLASA-N 442.972 4.834 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)NCCc2ccc(Cl)c(Cl)c2)ccc1OC 1311962360 DUEFVWBFSCSPOR-MRXNPFEDSA-N 436.339 4.725 30 10 IJEE C=C1CCC(CNC(=O)N[C@H](C)c2ccccc2NS(=O)(=O)c2cccs2)CC1 1313258179 LBORWMZPIFXNIX-MRXNPFEDSA-N 433.599 4.656 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)ccn1 1314584238 BXBJVXPREPGAGB-CQSZACIVSA-N 444.967 4.889 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)c2cccs2)CC1 1327101181 HIPSLTMHTHXLOX-UHFFFAOYSA-N 431.565 4.784 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1 1349205351 JFNWCQUVYPPEKS-UHFFFAOYSA-N 425.485 4.654 30 10 IJEE C=CCN(C(=O)Cc1sc(-c2ccn(C)n2)nc1C)c1nc(-c2ccccc2)cs1 1350510192 LXWCYZHAJGBMJJ-UHFFFAOYSA-N 435.578 4.737 30 10 IJEE C#Cc1cccc(NC(=O)c2cc(I)ccc2N2CCCCC2)c1 1352372058 UQCZTVRPGRYYEI-UHFFFAOYSA-N 430.289 4.515 30 10 IJEE C=CC[C@]1(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1352726701 GQMKSTBUJSOAHY-JOCHJYFZSA-N 436.474 4.519 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(CCCC)nc1C 1358879196 MMLJZMKLKXJBTQ-HNNXBMFYSA-N 428.943 4.549 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCCC(C)C)CC1 1359050625 WLVAHLGOFTUHBS-UHFFFAOYSA-N 447.048 4.996 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccco1 1359050902 GUPPSJQWIXHCJL-INIZCTEOSA-N 426.611 4.727 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359051951 PFBWPANIEWORHJ-CZUORRHYSA-N 428.911 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnc(CC)s1 1359066422 AHPHJGUUDVPFDE-HXUWFJFHSA-N 447.395 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@H](C)COc1ccccc1OC 1359072740 PECAUTARSGBOGH-RXFWQSSRSA-N 436.600 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1Cc1nc(C(C)(C)C)cs1 1359073371 NBGYHJYZPFPXSI-RUZDIDTESA-N 449.624 4.960 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(CC#N)CC1 1359102984 IFEDONCXCSLHQB-RCZVLFRGSA-N 449.599 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1cccs1 1359106401 CJDIXCQQTUOMFM-UHFFFAOYSA-N 444.004 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359184784 ACCFOJKKTZNVDV-QHCPKHFHSA-N 448.615 4.904 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cccc(Br)n1)C1CC1 1359248231 FWKYQIIQQNQHOA-UHFFFAOYSA-N 438.373 4.868 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccs1 1359271306 QQMRKJSMDLHRMH-GOSISDBHSA-N 443.617 4.681 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1359337736 ZAVRFBYCRMSTJE-QGZVFWFLSA-N 429.565 4.606 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CC(=O)N(CCCC)[C@@H]2c2ccc(OC)cc2)c1 1359822321 HMUWMRPGGIJLNV-ILBGXUMGSA-N 436.552 4.979 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 1436505978 CRASQLUWSUEVMK-QGZVFWFLSA-N 449.869 4.678 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 1447360944 LTOUWNBNXKOMEB-GOTSBHOMSA-N 438.568 4.753 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)C(F)(F)F)cc1 1460044557 YPYZFWLKEMHHNL-UGKGYDQZSA-N 429.438 4.875 30 10 IJEE C#CCOc1ccccc1CNCc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 1461203780 CBLWZIGFWJWZNS-UHFFFAOYSA-N 437.543 4.909 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1OC 1462039445 CEDLQQGAAVUVQT-OEMHODTASA-N 449.378 4.999 30 10 IJEE C#CCOc1cccc(Cl)c1CN(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 1462512137 ZLWDVLFHTOOARS-INIZCTEOSA-N 428.743 4.531 30 10 IJEE COc1ncc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1C#N 1462895027 HVAMRBBJHSJIME-UHFFFAOYSA-N 432.509 4.577 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 1463003820 BIBWQEGVVPFMNA-UHFFFAOYSA-N 426.519 4.650 30 10 IJEE COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1465431423 HXERSBZJVRNSLE-QMHKHESXSA-N 432.480 4.652 30 10 IJEE CC#CCNC(=O)c1cc(/C=C/c2cccc(OC)c2)nc2ccc(Br)cc12 1472539089 RBQNNEHVMINDOT-CSKARUKUSA-N 435.321 4.929 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1473233880 AOVTUGAZEMEKOD-NHCUHLMSSA-N 439.991 4.705 30 10 IJEE C=C(C)c1cccc(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)c1 1477189110 XURANGXMFDSVQI-UHFFFAOYSA-N 441.597 4.603 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1sc(C)nc1C 1507522965 ZPGGTFXOMSGTNZ-KBPBESRZSA-N 425.627 4.711 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1507575953 WXBNUFDSCAKONA-QFIPXVFZSA-N 438.641 4.935 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC2(CC2)C1 1507747534 DLNUXNUHPHDTPW-UHFFFAOYSA-N 449.393 4.594 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccco1 1507796761 QJVJBBDUUVRVMN-MGPUTAFESA-N 430.911 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(OC)C1 1507807018 QAUITXWICNFJMO-KSZLKVKMSA-N 438.616 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N(C)C2CCCCC2)CC1 1507898601 TUNIYKJPGDJAMO-UHFFFAOYSA-N 442.007 4.792 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 1507924319 LLWOUZVRGHBOIE-MOPGFXCFSA-N 426.515 4.520 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1507958939 DMVPJFVLNOTVOP-KNQAVFIVSA-N 438.597 4.874 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1507997546 ZWSDIMJDMMTXAV-YKSBVNFPSA-N 438.616 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccsc1 1508005693 UUSIAWXQSMKRTL-QHCPKHFHSA-N 428.577 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1cnn(CC(C)C)c1C 1508013639 PZPDMSGRRNEVTL-UHFFFAOYSA-N 441.583 4.881 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1snnc1C 1508019851 IDDHTIHKVAFAIE-UHFFFAOYSA-N 433.006 4.610 30 10 IJEE Cc1nc(C)c(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CC#N)CC2)s1 1511492337 CJEMJZOIROFXQJ-UHFFFAOYSA-N 441.004 4.774 30 10 IJEE CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1514733029 CNRGLSHXJBWVEP-SFHVURJKSA-N 440.592 4.604 30 10 IJEE O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)N1CCc2c(F)cccc21 1521434844 BQRONRZWYXDTMA-UHFFFAOYSA-N 437.311 4.911 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1528416029 SJIPNPRHONYKQS-GOSISDBHSA-N 429.358 4.865 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1 1529540519 GXTKRLSXGGGWCX-UHFFFAOYSA-N 430.327 4.714 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)OCc2cc(F)cc(Br)c2)o1 1532198955 HLKMESLLVNGONI-UHFFFAOYSA-N 430.229 4.989 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1Cc1ccccc1 1533759276 GQXAUJMJIGOLLQ-RLWLMLJZSA-N 439.559 4.920 30 10 IJEE C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1535028756 CTIDFEPZCBMBRG-HNNXBMFYSA-N 439.309 4.854 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)c(C)cc1Br)c1ccc(F)cc1 1535459233 KVYNOFMIMHKBJP-INIZCTEOSA-N 425.095 4.763 30 10 IJEE C[C@@H](NC(=O)c1cc2nccc(C(F)(F)F)n2n1)c1ccc(-c2cccc(C#N)c2)cc1 1536870668 CFCNIZVVNVOJEN-CQSZACIVSA-N 435.409 4.778 30 10 IJEE C=CCn1cc2ccc(NC(=O)C3(CNC(=O)OCc4ccccc4)CCCC3)cc2n1 1538562587 NJLODEROEBKAGS-UHFFFAOYSA-N 432.524 4.648 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1538704132 IHGMEUFHBKMGHV-DYESRHJHSA-N 448.371 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCCC[C@H]1C 1539034456 DIATWICHHZBMEX-FCHUYYIVSA-N 439.673 4.991 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(Cl)=C(Cl)C1 1539506054 PWEVXQANNPZFGT-UHFFFAOYSA-N 427.788 4.864 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1539701879 SPVYUMZNENIAEV-NRFANRHFSA-N 440.979 4.690 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)C[C@@H]1CCCO1 1539981972 PPDFSALYMFFSTO-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCN1CCC)C1CC1 1540115793 IOMSXHQIQVKHFU-YPAWHYETSA-N 429.653 4.616 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@H](O)C1 1540120615 UIAUANZPWXIBGL-NHCUHLMSSA-N 436.556 4.599 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CCCNc1ccc(C(F)(F)F)cn1 1540134476 SLAKEIVPZWPSFV-UHFFFAOYSA-N 448.468 4.834 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCC(F)(F)CC2)C1 1540887285 UDXYKSYZIMAFTD-HXUWFJFHSA-N 432.515 4.561 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)CC[C@H]1C 1540910020 VETYLIIIVNYXFP-HUUCEWRRSA-N 438.439 4.590 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1540912097 MQHCGTIAGUPYGL-VQTJNVASSA-N 430.593 4.787 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N1CCC[C@H](C)C1 1541106705 AWSWFVOEQRKLOX-BBWFWOEESA-N 449.430 4.968 30 10 IJEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1541897279 FEZIXLPXXSFUBW-OAHLLOKOSA-N 443.420 4.553 30 10 IJEE C=C(Br)CNC(=O)c1ccccc1OCc1cccc(Br)c1 1542487054 BEBGUHAORBRPMC-UHFFFAOYSA-N 425.120 4.667 30 10 IJEE CC(C)(C)CC[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)OC(C)(C)C 1543702447 GXUOOKDVEAEPSV-LJQANCHMSA-N 440.540 4.997 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1CC(=O)c1ccco1 1545446762 UVVDTPZMCCJWMI-IRXDYDNUSA-N 438.952 4.660 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1C#N 1545945332 OWFCBLPSEHJDNJ-UHFFFAOYSA-N 434.502 4.615 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3ccn(Cc4ccc(CO)cc4)c3c2)cc1 1557996411 NRICSGMUQZWEOA-UHFFFAOYSA-N 426.516 4.928 30 10 IJEE C=CCN(CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1559751243 AHPZCGHIQDGJHQ-ZCNNSNEGSA-N 425.491 4.587 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CCO)c2ccc(Cl)c(F)c2)cc1 1562265091 QLBSESPCEQAIQB-NRFANRHFSA-N 445.922 4.539 30 10 IJEE CC(C)(C)c1ccc(C2CCC(NC(=O)N3CCN(c4cnccc4C#N)CC3)CC2)cc1 1564714661 CSLAYHXDZHPJOG-UHFFFAOYSA-N 445.611 4.809 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 1564936819 ZWUZPNPHLPDLEW-UHFFFAOYSA-N 447.409 4.746 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2ccccc2Oc2cc(Cl)ccc2C)nn1 1564958286 LUWICAQATAUKLI-UHFFFAOYSA-N 425.920 4.560 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc(F)cc1 1564996404 WKMPQMHOLICJFD-YLJYHZDGSA-N 438.890 4.793 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 1565630559 FITAFTKFJWUMDD-IRXDYDNUSA-N 425.451 4.636 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1C[C@H]1c1ccccc1 1587678525 UBDOGYZMZJRCMJ-GBAJDQEWSA-N 449.599 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1ccccc1C 1588099149 IBUFAUHQKGUAQH-UHFFFAOYSA-N 444.604 4.736 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1588276591 RRVFMDYQQYQQIZ-AZUAARDMSA-N 445.405 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCCO1 1589185792 KOUZSQFIKQFJRE-ZEQKJWHPSA-N 436.600 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H](CC)Oc1ccccc1F 1589228197 KPUYONZNJLEPFM-YADARESESA-N 438.572 4.919 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1589434423 GUMDVAJMOIHBNO-IBGZPJMESA-N 449.393 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1ccc(OC)cc1 1589528898 JHUXYDBRDKJQAM-WWNPGLIZSA-N 440.588 4.536 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593932044 DKYYSTIZKFVMJB-ZACQAIPSSA-N 438.016 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1594492000 QOBIEOBCPVPGJG-LJQANCHMSA-N 440.588 4.609 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(C)C)C1 1594573531 SVQZHRWELZRYFG-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1Cc1ncnn1C(C)(C)C 1595119617 BWIXISHIJSGLAC-UHFFFAOYSA-N 433.604 4.598 30 10 IJEE C=C[C@@H](C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1 1595702416 KIBRRCAGWJPDFG-HHHXNRCGSA-N 425.576 4.595 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@H](CC)C1 1595871595 VBSMTBOCYUDHJP-PKOBYXMFSA-N 439.585 4.523 30 10 IJEE C=CCn1c(SCc2c(C(F)(F)F)nn(C)c2Cl)nc2sc(C)c(C)c2c1=O 1613269644 HUBTYCXMZQKQOV-UHFFFAOYSA-N 448.923 4.959 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1)c1ccccc1 1616817695 IJNHVQWYFQHQRQ-LJAQVGFWSA-N 449.363 4.990 30 10 IJEE COc1ccc(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)cc1 1619226495 HURVAUXHBFORIG-AUSIDOKSSA-N 437.588 4.537 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cc1 1622885895 QHOXRAXDGJJRDY-NRFANRHFSA-N 429.586 4.792 30 10 IJEE C=CCc1cc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1OC 1628817488 ZMJPHLYCTYJCIC-UHFFFAOYSA-N 435.351 4.702 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)CNC(=O)Nc2cccc(Cl)c2)cc1F 1630117081 GFJFLUPWUCJOAM-UHFFFAOYSA-N 438.846 4.903 30 10 IJEE C=CC[C@H](NC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1)C(=O)OCC 1632656221 LXSFKYUSACCRSK-FQEVSTJZSA-N 437.927 4.739 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)C(C)C 1632734283 FONQFKVLBZGLAL-AFXVXQJMSA-N 447.664 4.617 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2OCc2ccccc2)c1 1633753354 OTXXUEXPURTPCH-UHFFFAOYSA-N 433.529 4.623 30 10 IJEE Cc1cc(Br)cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1C 1635679570 FSRIWJCGYUMVRO-FQEVSTJZSA-N 446.776 4.742 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CCCN1C(=O)OC(C)(C)C 1637383280 AOFVLFMBWPJRQG-QYBDOPJKSA-N 437.584 4.796 30 10 IJEE C=CC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1639668874 OJLDPPQHYUGTNS-INIZCTEOSA-N 426.460 4.591 30 10 IJEE C=CC[C@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)C1 1640071234 ZRPVTWHHBOJQGL-FQEVSTJZSA-N 448.592 4.753 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 1641582541 IPGLVSOBAJDFSK-NRFANRHFSA-N 446.576 4.553 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@@H]3CN(CC(F)(F)F)C[C@H]3c3ccccc3)n2)c1 1642788825 BANGUTQEARGYRY-VQTJNVASSA-N 439.441 4.583 30 10 IJEE C[C@@H](Nc1ccc(C#N)c(Br)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 1643072014 YWCBBLFPQYTWSF-GFCCVEGCSA-N 426.330 4.907 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@H](C)c2cc(C)sc2C)cc1 1658012754 AEOHXMZKKAWWRY-INIZCTEOSA-N 436.581 4.942 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C)c1ccccc1 1658357081 AXKDARGKDYFKMZ-NRFANRHFSA-N 429.586 4.853 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1658622849 MDVHQKGFJKXYIZ-DEOSSOPVSA-N 429.561 4.896 30 10 IJEE O=S(=O)(Cc1ccc(F)cc1Cl)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 1659478185 AAWDJSWCWMMBSG-UWVGGRQHSA-N 441.796 4.808 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccc(O)c(OC)c1)C1CC1 1662574266 YXSIGODRIGXPCN-UHFFFAOYSA-N 447.329 4.925 30 10 IJEE C=CCc1cc(CNC(=O)NCC2(c3ccccc3OC)CCCC2)cc(OC)c1OC 1667444443 HUDQURGSJOVKQI-UHFFFAOYSA-N 438.568 4.752 30 10 IJEE Cc1ccccc1C1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CCCCC1 1668084526 AUWANBQABINDIK-UHFFFAOYSA-N 430.596 4.991 30 10 IJEE N#CC1(CS(=O)(=O)NCC2(c3cccc(Br)c3)CCCC2)CCCCC1 1668126067 GGIVICDURMYWIH-UHFFFAOYSA-N 439.419 4.654 30 10 IJEE C=C(C)[C@H](NC(=O)N(C)CCCOc1cc(OC)cc(OC)c1)c1ccc(F)c(F)c1 1671852480 ZHWJSVCJWVGWRJ-QFIPXVFZSA-N 434.483 4.710 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc3cc(OC)c(OC)cc3c2)cc(OC)c1OC 1673222867 PHCMFRQURNCCOB-UHFFFAOYSA-N 436.508 4.924 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1 1673392886 IWUVWWVITGKYKI-QFIPXVFZSA-N 427.570 4.546 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)cc1 1674518856 LJMTUHDPTXKLBV-UHFFFAOYSA-N 432.476 4.830 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1676212828 HPCLFJAKYSHFQQ-NRFANRHFSA-N 441.494 4.716 30 10 IJEE CCCc1c(NC(=O)N(C)CCOc2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 1676502987 BPOWOQDGVDJAAJ-UHFFFAOYSA-N 437.931 4.893 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)cc2OC(F)(F)F)CC1 1677210201 YQDXARAMKWCQAZ-UHFFFAOYSA-N 436.272 4.510 30 10 IJEE Cc1ccc(N2CCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)c(C)c1 1677898950 HLXATYLISURHBS-UHFFFAOYSA-N 430.577 4.935 30 10 IJEE CC[C@@H](Cc1ccccc1Br)NC(=O)Nc1cc(C)c(N(C)C)cc1C#N 1678199332 ICFGASBLWYZZAL-KRWDZBQOSA-N 429.362 4.838 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1 1678351627 QNDMKYJLWCRTRM-OAQYLSRUSA-N 445.357 4.991 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2cc(OC)c(OC)cc2Br)CCCC1(C)C 1678519169 VHQIHWPWPBQQTJ-SFHVURJKSA-N 425.367 4.743 30 10 IJEE C#CC1CCN(C(=O)Nc2ccccc2Oc2cccc(I)c2)CC1 1680128836 YEIHQICNHYAFQH-UHFFFAOYSA-N 446.288 4.961 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCC3(c4cccc(F)c4)CCCCC3)CC2)c1 1682980981 FDCILBYVHWZXDK-UHFFFAOYSA-N 448.586 4.863 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2ccc(OC)cc2)CC1)c1ccc(Br)cc1 1683681004 JOJGBNFESHZCDJ-NRFANRHFSA-N 427.342 4.721 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(F)(F)F 1690089501 CKBYHPXMAXEQEG-QGZVFWFLSA-N 438.469 4.540 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](SC)C1 1690157770 OVSCHOKTMQMNMW-YLJYHZDGSA-N 448.633 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC[C@H](OC)C(F)(F)F 1690196071 XDQVAJVGAHNEJR-QFBILLFUSA-N 426.870 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC1CC(OCC)C1 1690207609 FRTAVUHPQMGDEG-NFDBJIOVSA-N 426.992 4.720 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690472456 OATZPLJJUJZEGI-ONTIZHBOSA-N 425.621 4.920 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)N1CCC(C)CC1 1690518622 PUGKKGZZEHGQOW-MOPGFXCFSA-N 427.662 4.874 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1F 1690752296 DDIIEGCVOXCJHO-TZIWHRDSSA-N 446.636 4.934 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCSC(F)(F)F 1692845471 GFSIXWAZNCFWGE-SPYBWZPUSA-N 445.555 4.580 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1705531223 CJTCAFNDSACBLK-IBGZPJMESA-N 446.599 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1705669554 PJOFAYCMTGSWJO-IEXUWNMDSA-N 444.526 4.886 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1SC 1705699549 IMBXAZFSRIOSHX-NZQKXSOJSA-N 449.624 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1CCc1nccc(C(F)(F)F)n1 1705719155 NIWLWOHSGQUTHS-UHFFFAOYSA-N 444.505 4.517 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc(C)c(C)s1 1705720040 VOQUBFUZMUFQDC-UHFFFAOYSA-N 425.602 4.998 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CC=CCC1 1705913866 ZVJKWXAOCIXVEY-NRFANRHFSA-N 429.568 4.670 30 10 IJEE CC[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)OC 1708772350 DOBHNNYHRSSPJZ-APWZRJJASA-N 431.968 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1cccnc1 1722284794 MNCVOFISYGEKKM-QGZVFWFLSA-N 431.540 4.908 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCc1nc2c(s1)CCCC2 1722406849 XCOHYVQDVYEFAA-UHFFFAOYSA-N 425.989 4.636 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H](C)CC 1722453421 ZYFMKQSGRMHMSP-CQSZACIVSA-N 439.398 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCO[C@@H]1CCOC1 1722503900 WVMKSAQTQYCUOG-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1722505054 LZAUIWBFYWMEQR-GHTZIAJQSA-N 426.552 4.548 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](OCC)C(C)C)CC1 1722561648 ZFGOGIKRLNVEHL-GOSISDBHSA-N 436.398 4.643 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2OCC[C@H]2C)CC1 1722576108 AUGQYOMZEYWMNZ-DNVCBOLYSA-N 431.378 4.535 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cccc(OCC)c2)CC1 1722579338 GAOWMSQLXSHNIR-UHFFFAOYSA-N 437.613 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722586006 QAROOCPUVIYDPK-UHFFFAOYSA-N 449.599 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1722589217 FCGIURPYMJSVIF-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722590976 CYBWRRBQYLDQIP-WOVHNISZSA-N 438.616 4.552 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCCOC(F)(F)F)C1CC1 1722648595 URNLGTNFQFRFNM-UHFFFAOYSA-N 445.283 4.789 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1CC1(N2CCSCC2)CCCCC1 1722670971 DUKZNMHPQILZIY-UHFFFAOYSA-N 429.678 4.866 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCSC(F)(F)F 1723975338 BLGXMTCGDNAJBN-QWHCGFSZSA-N 431.459 4.549 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccoc1C 1727713092 BLKSURKFVVOBTG-QHCPKHFHSA-N 432.572 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@]1(C)CCCS1 1740735261 LPUQMLYXXPJUND-PKTZIBPZSA-N 442.654 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1740762292 SJCADKRQMXQXFD-WFXMLNOXSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1C(C)C 1740765890 DPVLUQLQNTWWKG-NOXFTYBFSA-N 428.552 4.602 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)OC(C)(C)C1 1740853231 ZVLHFCRTSCNULF-IBGZPJMESA-N 442.604 4.862 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@@H]1C 1740855252 FLJOWPSMRMYCQT-PZJWPPBQSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1740879851 RXKIJNMWNGJBII-LJQANCHMSA-N 428.487 4.960 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CCCN(C)C(=O)OC(C)(C)C 1740917426 RVWCDLALLOGJDY-UHFFFAOYSA-N 427.593 4.851 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ncccc1C 1740939196 SHDOCBFAVHVUDK-KRWDZBQOSA-N 437.613 4.522 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1)c1cccnc1 1741319485 BWDLMPKBWAGDJK-ROKPMTFOSA-N 444.583 4.656 30 10 IJEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCOC2CCCCCC2)CCOC1(C)C 1743374929 GWUJIMFAEYOOJD-LJQANCHMSA-N 437.588 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOCC)CC1 1748655911 IEAMWPMJPXHPKZ-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1748702271 AGARHOUZBXAKJV-HXUWFJFHSA-N 434.515 4.888 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1748736801 RHOQJZYWSZWLFH-CTNGQTDRSA-N 442.007 4.550 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(OC(C)(C)C)nc1 1748907162 GLOISGHNDBUSDP-UHFFFAOYSA-N 443.595 4.828 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N(CCOC)Cc1ccco1 1749089892 HQJAFZMXKDEPJE-UHFFFAOYSA-N 445.361 4.662 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC1(C)C 1749121940 QSDDBWUEIBCPJU-PKOBYXMFSA-N 432.515 4.907 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)C(C)C 1749215644 CWKBMFWBMXFBKK-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)CC1 1749375391 BHEYVLUTMGEXJD-UHFFFAOYSA-N 439.648 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)nnc1C(C)(C)C 1749377131 MGIVPNATEVTVAP-IBGZPJMESA-N 438.620 4.736 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1749387226 UZIBXTNNSXEAAU-JOCHJYFZSA-N 447.587 4.579 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749391480 PPOAKRWYVJRMBA-CNNODRBYSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749400756 MGQNVMDWDIRUNM-GLDPYIMESA-N 445.007 4.651 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1749520904 DGNHFENPIRFGMY-UQBPGWFLSA-N 425.596 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1sc(C)nc1C 1749561438 NECDMPACXNOPSA-UHFFFAOYSA-N 445.596 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCC(C)CC1 1749578588 CSAPPSNBBYEXDT-JOCHJYFZSA-N 432.616 4.580 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCS1 1749587185 KPMOSPLRBIRXIY-GOSISDBHSA-N 429.977 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)cc1C 1749591598 WNDBRJCARYKAOH-OAQYLSRUSA-N 438.547 4.690 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1760151858 QKICYNZFJORJCH-UHFFFAOYSA-N 429.568 4.741 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1Cc1ccccc1 1760305514 IFUBMLVDEGODHH-LJQANCHMSA-N 438.373 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CC)C1 1760320994 ADVHBFQYZNUABJ-STSQHVNTSA-N 430.543 4.755 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1cccc(F)c1)C(C)C 1760325994 UUKQMRRTPYUYDS-RCZVLFRGSA-N 449.574 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H](C)N1CCCCC1 1760333966 LFGYDOPSHUXCPV-JOCHJYFZSA-N 447.631 4.798 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1760353573 WSQCIKNDAMWQGS-VQIMIIECSA-N 431.378 4.679 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1F 1760361482 YRTJKIQQDBQJKU-IFMALSPDSA-N 444.595 4.607 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1760385517 SIIUYCDRMQBGDP-LJQANCHMSA-N 433.522 4.548 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCc2c[nH]nc2C)CC1 1760398441 YOHWZQIVNPFLJN-UHFFFAOYSA-N 442.514 4.613 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1760426206 IVORCHCETDUSOR-FYYLOGMGSA-N 434.588 4.639 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1nc(C)cs1 1760454798 SZWSCVHTDYUTKI-CYBMUJFWSA-N 432.391 4.898 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cscc1C 1760459826 GMYUPTVHFJQRQC-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCc1ccncc1 1760477628 GIAUNZGTFYMURP-UHFFFAOYSA-N 429.524 4.685 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCCN1CCCC[C@H]1C 1760487515 WLKRRIPUXNONTO-RTWAWAEBSA-N 443.661 4.691 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(C)CC1)C(C)C 1760490347 VEIDRAVFWKJHQT-VXKWHMMOSA-N 429.653 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC1(SC)CCOCC1 1760492371 QKQNIRGCJKLAJW-UHFFFAOYSA-N 435.597 4.584 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccco2)cc1 1760531130 DNURFCYRACCDKE-IBGZPJMESA-N 429.524 4.667 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@H](OC)[C@@H](C)CC)C1 1760538789 WJNWYIYTDFHFDK-MFSJNOQSSA-N 449.599 4.644 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1760541727 GSYQUKQURGDFDP-IVAOSVALSA-N 446.636 4.531 30 10 IJEE CC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1765135651 BQQDGTMSLBGXOG-YADHBBJMSA-N 432.572 4.872 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2CCOC2)CC1 1772554754 LTBFQIFGFDWFJA-QGZVFWFLSA-N 431.378 4.537 30 10 IJEE Cc1csc(N=C2S/C(=C3/C(=O)Nc4ccc(F)cc43)C(=O)N2C2CCCCC2)n1 1772737963 MVEPADYQYWLBEA-YJCQMWQCSA-N 442.541 4.850 30 10 IJEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)Nc2ccc(Cl)c(Cl)c2)CC1 1860591738 AWBIDLDLHSYQAV-NRFANRHFSA-N 435.351 4.681 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862422144 XGDYWQGKACVORF-NRFANRHFSA-N 426.463 4.552 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC)c(OC)c1 1862437522 SPQAIQQADFYXLB-XCLFUZPHSA-N 429.900 4.734 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862451984 RJVAJCBRGLQGOH-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862515748 FDBNRNHXCPPJGF-HSZRJFAPSA-N 448.519 4.572 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccccc2Cl)cc1 1862536133 RKGNRRUNDARCQU-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862596074 FRHISBSHWQVKQB-QHCPKHFHSA-N 429.472 4.569 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Br)cc1 1862599917 NDWWKJINQZQMOX-LJQANCHMSA-N 444.325 4.779 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862682714 ROTZVEYAWZBYDR-JOCHJYFZSA-N 439.483 4.841 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(c3ccc(F)cc3F)C2=O)c1 1862946467 PAWQASMRRQCJQS-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863036820 HMCUTDSCHWSOPN-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2cccs2)C(=O)N(c2cccc(C#N)c2)C1=O 1863113821 XLRCKJWDWJYUPR-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(OCC)cc2)C1=O 1863569441 VJYZNHASYCCCDM-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868261927 CZXJUZMROBXJLB-NRFANRHFSA-N 449.942 4.512 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871418433 TUKSWFWIZQFLPX-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 1871433021 JQMKWJZLQIFFPL-PKIWBCANSA-N 440.492 4.739 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c(Cl)c1 1871436200 PYVSCAKKIPDTNA-MTJSOVHGSA-N 434.879 4.986 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NS(=O)(=O)c1cc(Cl)ccc1OC 1872614046 YENCJHMFNQZXRT-SFHVURJKSA-N 447.041 4.662 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1cc(Cl)ccc1Cl 1872724418 FBSHWBPOHBWMSC-UHFFFAOYSA-N 428.344 4.932 30 10 IJEE COc1ccc2[nH]cc(/C=N/n3c(SCc4ccc(C(C)(C)C)cc4)nncc3=O)c2c1 1873494602 BYQXBTMBDKBUAS-UVHMKAGCSA-N 447.564 4.600 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCc3ccc(O)cc3)ncnc21 1873641472 UPYMAZWLQQDSLW-UHFFFAOYSA-N 443.507 4.504 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1O 1874426537 NGHZKLDANBWMGD-AFUMVMLFSA-N 434.496 4.973 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C(C)C 1874509051 IRNLOSVVURXVDV-ZVHZXABRSA-N 437.569 4.802 30 10 IJEE Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1CCCOc1ccc(Cl)cc1 1874570482 UROPJSKAWOWEOU-ZVHZXABRSA-N 438.940 4.973 30 10 IJEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1OC 1874706467 JNQQHRKERAGTPD-RMKNXTFCSA-N 446.455 4.590 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 1875116101 LIOQXJBDBRGVTM-QLKAYGNNSA-N 433.416 4.727 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccc(Oc2ccccn2)c1 1891427423 VQVWGCAXOJLCAW-UHFFFAOYSA-N 426.394 4.705 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959031452 RRZLVDZBMTTYPW-HYBUGGRVSA-N 439.487 4.918 30 10 IJEE CC(C)CN(CCC#N)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984696124 UXYLOVXWZMCBBM-RUZDIDTESA-N 447.579 4.948 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2060623462 MJMANIBGKJAOMY-QGZVFWFLSA-N 430.354 4.732 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2cccc(Br)c2Cl)C1 2063052523 YCNAATMUBNQKSU-HNNXBMFYSA-N 429.786 4.833 30 10 IJEE CC[C@@H](c1ccc(OC)cc1F)n1nc(C2(C)CC2)c(C#N)c1I 2080064751 XFQXLKMARKSHQD-HNNXBMFYSA-N 439.272 4.558 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CCOC)CCN(C(=O)OC(C)(C)C)C1 2082290144 ZHTIUZPVYVWDMX-BVAGGSTKSA-N 446.632 4.791 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(CCC)[nH]c1Br 2087656405 YHJFCIMEDGOMHO-DZGCQCFKSA-N 429.403 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](Nc2cccc(Br)c2C#N)(C(F)(F)F)C1 2105981601 NJZLDBPRHRORGT-INIZCTEOSA-N 434.256 4.675 30 10 IJEE CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2118192950 VFEPFZIBPKMFNM-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 2159127413 GIAZCKHSBGXDMZ-RTBURBONSA-N 441.385 4.806 30 10 IJEE O=C(NC[C@H](NCc1cccc(C(F)(F)F)c1F)C(F)(F)F)OCc1ccccc1 2166846094 SZLPVCSVEUMXIL-HNNXBMFYSA-N 438.343 4.791 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ccccc2c1Br 2180951910 CSEOQSUSPPIMPN-QGZVFWFLSA-N 431.330 4.848 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#Cc1cccc(Cl)c1 2212455269 SVXVDPGGQASPMX-HSQYWUDLSA-N 429.944 4.551 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2247826303 RQUGOYZIOBNNFR-QGZVFWFLSA-N 425.403 4.797 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2258808371 YGORLSCBENMHSH-HRNNMHKYSA-N 446.632 4.574 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)c1 2265985744 FDNSTMYZGXGSQR-UHFFFAOYSA-N 444.312 4.968 30 10 IJEE CC1(C)OB(c2cscc2C(=O)NCc2cccc(OCc3ccccc3)c2)OC1(C)C 2267190490 OZOGEIMWANCXKH-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2281452856 NAXWRZCWQUCJRQ-MJGOQNOKSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@@H](O)C#Cc1ccc(Br)cc1)C1CCCC1 2296287699 ZFAJSVXOGAMJPK-ICSRJNTNSA-N 436.390 4.883 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 2296295431 CWIDHFNKIBLVNY-DKZVUGQWSA-N 435.406 4.720 30 10 IJEE CCCCCCCN1C(=O)C(=Cc2c(NCC)nc3c(C)cccn3c2=O)SC1=S 2296543587 OKLABCJPPIOKCX-UHFFFAOYSA-N 444.626 4.606 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2296807607 CNRWTNUAKLAGSF-UHFFFAOYSA-N 446.455 4.686 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2ccccc2F)cc1 2321222454 GZPAOXLHEWJQCS-UHFFFAOYSA-N 441.532 4.599 30 10 IJEE COc1ccc(C=C(C(=O)Nc2oc(C)c(C(C)=O)c2C#N)c2ccccc2)cc1OC 2322328765 ZOJLPMYTXWGAMP-UHFFFAOYSA-N 430.460 4.859 30 10 IJEE COc1cccc(C=CC(=O)c2ccccc2Cl)c1OCC(=O)NCc1ccccc1 2322437051 RKEJGWPWWHJMTO-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2322904102 LBHQLXXPVFGLJA-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccco1 2323792067 ITHDAGPUYSTSAD-UHFFFAOYSA-N 439.895 4.923 30 10 IJEE CCOc1cc(C=NNc2nc(C)c(C(C)=O)s2)cc(Br)c1OCC 2323870545 HAHLNJIUCSKLOP-UHFFFAOYSA-N 426.336 4.660 30 10 IJEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1OC(=Cc1cccnc1)C2=O 2323934018 RACRWDBSLDUYPY-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324017939 OBERVGTZYURPSI-KBPBESRZSA-N 431.891 4.719 30 10 IJEE CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccc2ccccc12 2325915169 DJXWOXFKJAKLDE-OAQYLSRUSA-N 441.560 4.552 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326094564 YOYDJLYGNKCFRD-UHFFFAOYSA-N 431.905 4.640 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCCO)n1N=Cc1cccc2ccccc12 2328560107 CHADPVORAMXGQJ-UHFFFAOYSA-N 446.576 4.984 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc(OC)c(OC)c1)[C@@H](C)CC 2330087586 GBYYMBMCYJEXNX-YADARESESA-N 432.605 4.725 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)OCCC)nnc2C(C)(C)C)cc1 2331417443 PZXFLSKUDHDBLK-UHFFFAOYSA-N 432.590 4.682 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1ccccc1Cl 2331467675 TWGZDXJNYFREJN-UHFFFAOYSA-N 436.025 4.753 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)C=Cc1ccc(F)cc1 2332188818 YSDSHDVGOUFZMT-UHFFFAOYSA-N 425.423 4.722 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2363622926 JGBZHXPKQUOWBQ-OALUTQOASA-N 449.414 4.586 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 2370049721 YDLYDEKOPNDWJR-AWEZNQCLSA-N 449.267 4.713 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2nc3c(cc2C#N)COC3)c1 2370356831 JZLSEYLIHYXBIX-UHFFFAOYSA-N 432.274 4.885 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3OCCC)cc2C1=O 14582877 IPPRNGODXIMYDO-UHFFFAOYSA-N 432.398 4.529 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n[nH]2)o1 20834970 XCRMUHCAXZJQIE-OEAKJJBVSA-N 444.605 4.738 30 10 IJEE CCc1cccc(N/C(=N\C(=O)c2ccccc2)N2CCN(c3ccccc3OC)CC2)c1 32946347 CLQJDQIGPAVDOE-UHFFFAOYSA-N 442.563 4.688 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2ccccc2OC)c(C)n1 32972957 GVIROZLVMXXRDY-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccc(C)cc2)c1C 32973262 XTFLWQYIMYGVLG-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE C=CCc1ccc(OCCCCn2c(CCNC(=O)C(=C)C)nc3ccccc32)c(OC)c1 35144671 GYPPBIRMPIQKDP-UHFFFAOYSA-N 447.579 4.867 30 10 IJEE CCc1ccc([C@H](CNc2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)N2CCCC2)cc1 40374128 AEFYNPZNDFAGAW-QFIPXVFZSA-N 431.496 4.933 30 10 IJEE Cc1c(C(=O)c2sc3ccccc3c2Cl)c(O)n(Cc2ccccc2)c(=O)c1C#N 40523095 AZQHYMILCXPZOR-UHFFFAOYSA-N 434.904 4.881 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc3C2=O)cc1 41358291 GFHIIGWTYNLDLY-OYKKKHCWSA-N 430.456 4.858 30 10 IJEE COc1ccc(C(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)cc1 59015657 AUHBGTNJOZFDLC-ZVBGSRNCSA-N 436.324 4.541 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(OCC)cc2)nnc1-c1cccc(OC)c1 59807979 IUJLKFMAOYQKKG-UHFFFAOYSA-N 438.553 4.659 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 111830578 SGHVDFMXKJBMAX-DSTYWPJMSA-N 436.552 4.507 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(O)cc2)c1C 169960933 QOQDJKRBAVNWLY-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)c1 169981532 RXYPTRGJEMDRDW-QHCPKHFHSA-N 449.503 4.723 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(C)o1 170102942 WPXQYZWZKSZDGJ-QHCPKHFHSA-N 449.478 4.865 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142583 JDVUDBQDVFUOPF-XMMPIXPASA-N 436.467 4.585 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)c(C)c1 170175376 NDJVTVPFZGFQPP-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3cccnc3)oc12 170184267 UCTASLRHHCTDOR-OAQYLSRUSA-N 444.418 4.758 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1C 170184973 HGPRSEPDZTYFRS-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccnc2)cc1C 170189772 QAIVBXPRICLRLT-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 170238148 IQKQRSSXYOWODO-QFIPXVFZSA-N 449.409 4.519 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)c1 170239469 DHVTVSPODLTOHU-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1F)c1cccc2ccccc12 170250144 UTHGIPQFTQINIU-SBUREZEXSA-N 431.463 4.736 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1C 170251429 QZFQLRIPKIQIQE-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1ccncc1 170317331 LNLZOUYSUAEZHR-BTYIYWSLSA-N 446.528 4.553 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1sccc1C 170319253 LGLRODLTAJMPCT-LJQANCHMSA-N 429.538 4.842 30 10 IJEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccn3)nc2cc1Cl 170480294 UYQNIXJFIDZUJE-KRWDZBQOSA-N 427.913 4.778 30 10 IJEE C=C[C@@H]1c2cc(OC)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)c1ccccc1 220749066 HKRFSMQWEVNGKI-ZJSXRUAMSA-N 433.529 4.734 30 10 IJEE COc1ccc(/C=C2\SC(=Nc3ccc(Br)cc3)N(C)C2=O)c(OC)c1 252643532 ZVOIDVANGPUXAT-RSLFAZBZSA-N 433.327 4.700 30 10 IJEE N#CCc1ccc(CNc2cc(Br)ccc2I)cc1 399121053 PBWPQGYLNGKVIY-UHFFFAOYSA-N 427.083 4.732 30 10 IJEE N#CC1CCC(CNC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 442732964 ACVAPLYKFGBROH-HTWSVDAQSA-N 427.936 4.609 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2ccc(F)c(F)c2C1 460797998 VDCHROLDPZPJBX-CVDCTZTESA-N 436.506 4.940 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)c3csc(-c4cccc5ccccc45)n3)CC2)cc1 479843306 SPFVHFFOHQDSOD-UHFFFAOYSA-N 438.556 4.793 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1 480837536 KGCYVSUHFBAVOX-SANMLTNESA-N 431.536 4.554 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 501722391 PIRUWKUQEQNIIT-CQSZACIVSA-N 446.334 4.510 30 10 IJEE C=CCN(C(=O)c1cccc(OCc2cccs2)c1)c1nc(C(=O)OCC)cs1 501941174 BIGSVBCSXKBUGY-UHFFFAOYSA-N 428.535 4.793 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)c1ccccc1 503456254 VOAJSJDATVXCQO-IBGZPJMESA-N 436.371 4.598 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 508867530 QIDVKSKOFWXEQU-SANMLTNESA-N 446.551 4.564 30 10 IJEE N#C[C@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CCN1Cc1ccccc1 510170391 XXAPYNOIUYVWLP-NRFANRHFSA-N 433.458 4.607 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 518452299 IGGWEGPVUREXFO-UHFFFAOYSA-N 447.501 4.734 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 549287626 LVVDARDBCQNQRZ-UHFFFAOYSA-N 435.959 4.593 30 10 IJEE C=C(C)Cn1c(C)nnc1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 569829014 DUIJTFJLMTVPLM-INIZCTEOSA-N 434.384 4.778 30 10 IJEE C=CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 586123738 CPZOKMNUTNSHQB-UHFFFAOYSA-N 445.176 4.589 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)NCc3ccc(C#N)cc3F)c2)cc1 591787259 FXCWVPAWBDHNMW-UHFFFAOYSA-N 430.479 4.728 30 10 IJEE Cc1cc(Nc2ccc(I)cc2Br)c(C#N)cc1N 721129092 QXNUOGZPUNIMNM-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741431507 QURMFQVDPQQEPU-RDBSUJKOSA-N 440.780 4.829 30 10 IJEE COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NCc3ccc(OC)c(C#N)c3)s2)cc1 746727646 GEAWBGHGMXHKGY-HNNXBMFYSA-N 436.537 4.568 30 10 IJEE COc1ccc(CNCc2cc(Br)ccc2OCc2ccccn2)cc1C#N 746742621 SUJAMXXOZJIXCW-UHFFFAOYSA-N 438.325 4.593 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(C2CC2)C(=S)N[C@@H]1c1cnc(-c2ccncc2)s1 753389366 WIHZPPPWHUMRJX-OAQYLSRUSA-N 446.601 4.907 30 10 IJEE C=CCCOCCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 757230947 KIXCHORUFOWLMU-UHFFFAOYSA-N 437.796 4.502 30 10 IJEE CCOc1cc(-c2nn(CN3CCC(C)(C#N)CC3)c(=S)o2)cc(OCC)c1OCC 779878406 JMZGDCMSVIYFRO-UHFFFAOYSA-N 446.573 4.652 30 10 IJEE COc1cc(/C=C\C(=O)c2ccc(C#N)cc2F)cc(Br)c1OC(F)F 781108033 MPDSWYUGKZQZSM-HYXAFXHYSA-N 426.188 4.966 30 10 IJEE CCc1cc[n+](/C(C(=S)N[C@@H](C)Cc2ccccc2)=C(/O)c2ccc(C#N)cc2)cc1 786036847 CLDPRSGBLCIASY-IBGZPJMESA-O 428.581 4.840 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 804457034 MQZLGCIJYGNCEH-SERSOLAASA-N 444.531 4.643 30 10 IJEE O=C(NC1CCCC1)N1CCC(CN(CC#Cc2ccccc2)Cc2ccsc2)CC1 1088703106 CXHYRBCHZQXWRJ-UHFFFAOYSA-N 435.637 4.966 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1nc(-c2ccc(I)cc2)cs1)OCC 1124580077 NRHQIVMTKGIEQO-OAHLLOKOSA-N 442.322 4.725 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)CCc2ccc(OC(F)(F)F)cc2)ccc1OC 1126127967 FXYLCWDIBFHGPY-QGZVFWFLSA-N 436.430 4.524 30 10 IJEE COc1ccc(Br)cc1-c1nc(C(=O)N2CCc3ccc(C#N)cc32)cs1 1127697154 AHTLVNOCLPECGO-UHFFFAOYSA-N 440.322 4.656 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@@H](C)n2cc(Br)cn2)C(C)(C)C)cc1 1128252139 OYEPCBCXOYCPJM-MRXNPFEDSA-N 434.378 4.989 30 10 IJEE C#CCOc1ccc(C(=O)N(C)Cc2cccc(OC)c2OCc2ccccc2F)cc1 1128408378 VQMFZSNCWPVRKX-UHFFFAOYSA-N 433.479 4.698 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cnn(-c3ccc(C)cc3)c2C)nnc1-c1ccco1 1130618155 VOBUDDUEDPXVHZ-UHFFFAOYSA-N 448.552 4.648 30 10 IJEE C#CCN(CC(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC)C(=O)OC(C)(C)C 1136379559 BZJNQPYIVPRRKS-UHFFFAOYSA-N 442.487 4.744 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 1141983180 ZUBRWEOSTORMEN-UHFFFAOYSA-N 436.360 4.595 30 10 IJEE C#C[C@@H]1COCCN1C(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 1142007769 BFDXCRAIYDOFNA-AREMUKBSSA-N 441.596 4.962 30 10 IJEE C=C(C)CONC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1144640092 KBXMRSKQNSRBLO-SAPNQHFASA-N 430.504 4.976 30 10 IJEE C=CCCSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1-c1ccccc1OC 1188146107 ZALZIXQSYBTXPL-UHFFFAOYSA-N 445.610 4.733 30 10 IJEE C=CCCC[C@@H](NCC(=O)Nc1cccc(I)c1)c1ccccc1 1197368942 PNRSPCVKTXJQBV-LJQANCHMSA-N 434.321 4.917 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1200402332 GGFWZXZXNXLHPX-PMACEKPBSA-N 441.572 4.590 30 10 IJEE COC(=O)[C@]1(C)CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 1214721677 HITDQXWYYJYHOK-AUSIDOKSSA-N 425.916 4.802 30 10 IJEE COc1cccc([C@@H](CNC(=O)N(C)CC(C)(C)C#N)c2c[nH]c3ccccc23)c1OC 1220474638 CEQOITBWDMMVHO-HXUWFJFHSA-N 434.540 4.508 30 10 IJEE C=CCC[C@@H](NC(=O)NCCN(C)C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1221795866 OEXQPYZGKMJOTQ-QGZVFWFLSA-N 429.483 4.879 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1ccc(F)c(Br)c1 1224108506 FCAAXHMMLCNZDN-FXAWDEMLSA-N 430.321 4.612 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)CCCN1C(=O)OC(C)(C)C 1264884237 VIVDGSZLQFDJRL-DEOSSOPVSA-N 438.528 4.592 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OC(C)(C)C)C2 1265780942 QDSMDKBVNQZGOQ-CQSZACIVSA-N 436.574 4.759 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(CC)CCOCC1 1286278045 KSVKTOXZENZQHG-MSOLQXFVSA-N 430.980 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(F)(F)F 1286552992 OXIBIQVPAIUSLX-MPGHIAIKSA-N 442.457 4.537 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCCCC2)CC1 1286650085 WZUAEFYWVKOITC-UHFFFAOYSA-N 435.572 4.625 30 10 IJEE C=Cc1ccc(CCn2c(Cc3csc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1286653395 IELOAVPKOPKZGO-XMMPIXPASA-N 432.597 4.650 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1286689472 RGWXIKQSHFHXJG-DEOSSOPVSA-N 431.584 4.761 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286694253 AATKOQWSZRIAPJ-VXKWHMMOSA-N 448.615 4.804 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCSC1(C)C 1286758401 MHCGPJUPTGGCSK-FXAWDEMLSA-N 426.586 4.501 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@H](F)C1 1286962697 FNSQSGHGWFVTCQ-RDBSUJKOSA-N 438.320 4.581 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300313058 AOEKHZPZXUBQST-HSALFYBXSA-N 442.051 4.737 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1300600686 AGSJLXKKCJVBJG-XTQVGHSUSA-N 430.980 4.879 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(SC)CCC1 1300609319 NGJGVDIWYPWGMC-UHFFFAOYSA-N 437.382 4.592 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1c(C)sc(C)c1Br 1300633123 CVLGRJWRKMILEX-UHFFFAOYSA-N 449.443 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300912388 ABAMZDBJDKUSOY-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1300944693 DPCBMCDYPQTCDB-MBSDFSHPSA-N 440.588 4.712 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1301000524 SGXLYIJKSVSXQH-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301143636 MDJHAYGADMWOCN-UKRRQHHQSA-N 443.901 4.752 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCCN1CCCO[C@@H](C)C1 1301349579 PYSXFWCKJGGNBX-QFIPXVFZSA-N 439.648 4.560 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccs1 1301351634 XGFFRAVLQBTLEJ-DEOSSOPVSA-N 449.555 4.641 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)n1 1311216777 YKQSTIUAIVCLJW-INIZCTEOSA-N 433.261 4.658 30 10 IJEE C#Cc1ccc(NC(=O)NCC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(Cl)c1 1311263110 OGGCBEACSNETMN-LJQANCHMSA-N 441.959 4.969 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C)c1ccc(F)c(F)c1 1312536726 QRJRXFQWBBTTEQ-PMACEKPBSA-N 437.531 4.869 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C 1314821925 ALESSLGDPAFUAZ-SFHVURJKSA-N 448.518 4.570 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccccc2)C1 1321789305 RBCCRYMCISOXDR-GMAHTHKFSA-N 432.568 4.865 30 10 IJEE C=CCC(CC=C)C(=O)Nc1sc2c(c1C(=O)OC)CCN(C(=O)OC(C)(C)C)C2 1352780014 SPVNRKFBEBIYNV-UHFFFAOYSA-N 434.558 4.535 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc3ccc(Cl)cc23)cc1 1355493398 NNDDIFHZXWEZND-UHFFFAOYSA-N 434.970 4.542 30 10 IJEE C=CC[C@]1(C(=O)NCC2(c3ccccc3C)CCOCC2)CCCN1C(=O)OC(C)(C)C 1356003482 FPDRUGSWMYNPLX-AREMUKBSSA-N 442.600 4.505 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C)n(-c2ccccc2)n1 1357803507 IJDSFELXFCLEJF-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 1358917221 KDTRFYSOFIKPBV-UHFFFAOYSA-N 438.469 4.969 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC(N2CCCCC2)CC1 1359080114 GQBLJFFPDKNAMM-UHFFFAOYSA-N 444.421 4.617 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H]1CSC 1359131716 CJVZBFCASIMSHB-LJQANCHMSA-N 439.585 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1359186513 IXPOBKUHNZHDMF-HXUWFJFHSA-N 440.979 4.512 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncccc2F)CC1 1359199340 RWCQDQDZGVBBDU-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359211018 PQTOYOWEFTXMSQ-IBVKSMDESA-N 438.616 4.983 30 10 IJEE C=CCCCn1c(N(C)Cc2cccc(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359221309 XQAWZHZGATYKKZ-OYRHEFFESA-N 439.604 4.960 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(F)(F)F)CC1 1359224819 DNZMHHSZLPGBTE-UHFFFAOYSA-N 428.886 4.970 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1359289657 ZNTGZCDNSQBFLH-SFHVURJKSA-N 444.988 4.953 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1359524400 GPJVUEXWXSKGJE-RBUKOAKNSA-N 429.515 4.503 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)c2)cc1 1360158091 GCNWWPQZEBNGKG-KRWDZBQOSA-N 431.879 4.996 30 10 IJEE COc1ccc(-c2nc(C)sc2CC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 1435086773 FNGWTYDLIQHBMB-UHFFFAOYSA-N 447.560 4.611 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C(=O)OC)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1438323827 JVBCOQXSETZLIK-RUZDIDTESA-N 438.524 4.911 30 10 IJEE C=CCC[C@@H](NC(=O)CNC(=O)c1ccccc1OCC)c1ccc(C(F)(F)F)cc1 1446572400 VQAQZPPEVPKEAG-LJQANCHMSA-N 434.458 4.658 30 10 IJEE C#CCN(C(=O)c1nc(C(C)(C)C)cs1)[C@@H]1CCOc2ccc(Br)cc21 1456452283 XPEJTKKUKMANAH-OAHLLOKOSA-N 433.371 4.802 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)C2CCOCC2)nc2cc(-c3ccccc3)sc2c1=O 1458865062 SVRVQMGLGYPXCU-OAHLLOKOSA-N 440.590 4.787 30 10 IJEE C[C@H](CC#N)NCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 1460313673 FDKVLJIAMZCFFB-ZIQUEPJKSA-N 448.517 4.980 30 10 IJEE C=CCn1c(SCC(=O)N2Cc3cc(F)c(F)cc3C2)nnc1-c1ccc(Cl)cc1 1461184309 NBBNGRGTDNTRRH-UHFFFAOYSA-N 446.910 4.697 30 10 IJEE CC(C)[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccc(Cl)cc1 1462770374 BTKCIILLSGTMKR-KRWDZBQOSA-N 445.741 4.789 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cn2cc(Br)cc(C)c2n1)c1ccccc1 1469469806 UQRMQDXJZJFXSJ-LJQANCHMSA-N 427.346 4.912 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(I)cc1Cl 1475866940 YLYNSDREKKHWKV-UHFFFAOYSA-N 426.641 4.601 30 10 IJEE Cc1cc(Br)c(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1Cl 1476377611 BJRUJZWPDGRCEW-UHFFFAOYSA-N 433.737 4.637 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 1476728447 ATJSUBBVDPYXCZ-LJQANCHMSA-N 449.345 4.656 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(C#N)cc1I)c1ccccc1 1477094434 VZARVZLBPINBTG-KRWDZBQOSA-N 431.277 4.992 30 10 IJEE Cc1cccc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)n1 1492528073 CSDPTJZDNWOLAL-KBMIEXCESA-N 448.546 4.633 30 10 IJEE CCC(CC)[C@@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1496613918 FKWZVRHLFQOJKK-RDGATRHJSA-N 441.595 4.979 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](CCC)C1 1507557581 RAWMRBRJWNMONW-RXVVDRJESA-N 430.980 4.880 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1507565453 FGASKHQEOSROGN-JOCHJYFZSA-N 447.652 4.835 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1507586324 ZLOZDHDZACVGEF-FQEVSTJZSA-N 440.897 4.542 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)C(F)(F)F 1507607314 QDLSVVAHELGCAX-UHFFFAOYSA-N 429.284 4.674 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507671120 ZPGJRHKRHFIFMX-NHCUHLMSSA-N 428.502 4.934 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1CC 1507686755 FXOIXBMDNRCQCY-UXHICEINSA-N 446.599 4.522 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1csc(-c2ccco2)n1 1507700310 PZZUEXQIDRIEKY-UHFFFAOYSA-N 435.528 4.945 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1OC 1507780938 YHVSQXSMXDTKCP-UHFFFAOYSA-N 448.752 4.547 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507802372 BMZXEZYUDACUKA-UONOGXRCSA-N 440.432 4.704 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CCCO)CC1 1507852567 BHXCJXTZESLRJA-MRXNPFEDSA-N 439.387 4.813 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)Sc2ccccc2)CC1 1507876371 DOAXQDOSQXXJCY-SFHVURJKSA-N 427.618 4.534 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCCC[C@H]2C)CC1 1507880149 INVYNKCSRPJKOH-RTWAWAEBSA-N 441.595 4.978 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1CC 1507999381 KDNUAZLWZZXDEZ-FCHUYYIVSA-N 427.556 4.626 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1OC 1508015090 JRILGEUKCAWYQY-IEBWSBKVSA-N 431.378 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1508019319 FSEHRIVHQKUFMI-CPJSRVTESA-N 425.596 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(NC(=O)CCC)cc2)C1 1508127475 XVUHKGLZARWNFP-JOCHJYFZSA-N 437.588 4.504 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccccn1 1508151509 DARNQIMVKQIZLN-UHFFFAOYSA-N 430.581 4.752 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1508152975 VPBNGPYTNOBJSM-KRWDZBQOSA-N 448.608 4.870 30 10 IJEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CC(OC(C)(C)C)C1 1512248104 BKJNXJVVZAZFHG-HOHBBMLPSA-N 437.588 4.701 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CCS1 1513599320 AXRBUCNMWTVLTI-RXVVDRJESA-N 439.629 4.601 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@H]2C)c1 1524421264 RAGBJDDPCIXWJE-MJGOQNOKSA-N 447.000 4.887 30 10 IJEE Cc1sc2nc(CS[C@H](C)C(=O)N(CC#N)c3ccc(Cl)cc3)nc(O)c2c1C 1529939571 ZTPLQPRXSABHKX-CYBMUJFWSA-N 446.985 4.846 30 10 IJEE C=CCC[C@H](C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 1532867778 BDWXGTXTKBHBLR-QFIPXVFZSA-N 432.486 4.979 30 10 IJEE C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Sc3ccc(Cl)cc3C#N)cc1)CS2 1536513587 FRSWEGRAMOIAKB-DYESRHJHSA-N 443.981 4.755 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1536778797 QEMRTVVYROOJSB-MRXNPFEDSA-N 432.973 4.566 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOCC1CC1 1538976944 RBSKXDLCUOCXOR-KRWDZBQOSA-N 435.597 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)Cc1cccs1 1539031473 JIFTUMDAXXWFIK-SJORKVTESA-N 428.989 4.909 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCC2(CCCCC2)O1 1539032101 SSPGJRCVGCFJBF-UNMCSNQZSA-N 436.600 4.759 30 10 IJEE COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1C(F)(F)F 1539252248 AMBDFKCSYDRDTB-UHFFFAOYSA-N 437.311 4.679 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1C 1539305104 PKQOPRYDMCXOTH-IEBWSBKVSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCN(CC)C1 1539347372 QPKMZNCTUGFLQC-INIZCTEOSA-N 428.005 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCC[C@@H](C)C1 1539347404 RXSMJLNCGZNTDT-HXUWFJFHSA-N 444.627 4.772 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1C 1539622360 WRAJGBVLIOVITC-SUMDDJOVSA-N 431.378 4.678 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](OCCC)CC1 1539736275 VRSXVMNMRJLKRD-JOCHJYFZSA-N 449.599 4.872 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1539774599 CVYZMTZOJIGGEK-ULQDDVLXSA-N 437.009 4.900 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2cc(Br)ccc2OC)CC1 1539890058 IDOIGFKZHCTHKV-UHFFFAOYSA-N 433.394 4.698 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC1 1539917183 RPWQPVJYAKCFOL-SFHVURJKSA-N 431.625 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@@H](CC)C1 1539928530 CSUNHWWOAHQPKL-FQEVSTJZSA-N 430.618 4.800 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1539978238 YZRUVOBUSOBUQK-IBGZPJMESA-N 429.996 4.700 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1540062320 KFZDMUYCYIAPDI-APWZRJJASA-N 445.995 4.866 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCCOC(F)(F)F 1540119062 DZDYXXPEHSYSAK-UHFFFAOYSA-N 426.483 4.703 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1Cc1csc(CC)n1 1540127969 HWXMNRJSNCQNTG-NRFANRHFSA-N 448.596 4.651 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1C 1540134477 SMHRTJRDEPZHGF-MOPGFXCFSA-N 448.546 4.693 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1C 1540134479 SMHRTJRDEPZHGF-RBUKOAKNSA-N 448.546 4.693 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1545498627 CMWPWLYCBRNHAY-AREMUKBSSA-N 442.600 4.909 30 10 IJEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1555450184 HOUMXOWPLCSLNL-YSIASYRMSA-N 447.505 4.973 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 1556967476 HTDROLZYWFECLP-MRXNPFEDSA-N 439.350 4.646 30 10 IJEE Cc1cc2c(NC(=O)c3ccccc3NC(=O)OCc3ccccc3)n[nH]c2cc1C#N 1557352675 HLUJKDVBACGQCR-UHFFFAOYSA-N 425.448 4.744 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)c(Br)c2)CC[C@H]1C(F)(F)F 1559282458 SJRPQSPPJNUHLV-UKRRQHHQSA-N 448.283 4.603 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(-c3nc4ccc(OCC)cc4s3)cc2)C1 1562120924 GEXWOLNPUFJYCK-LJQANCHMSA-N 434.565 4.581 30 10 IJEE Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)N(CCC#N)CCC(C)C 1562711617 HSYPLXVQZJQNJY-UHFFFAOYSA-N 446.548 4.729 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1CSC1=NCCS1)c1ccc(Br)cc1 1569673183 CVUIUXJZDLVRPK-SFHVURJKSA-N 445.407 4.889 30 10 IJEE C=CCC(F)(F)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C(=O)OCC)s1 1583209525 JZMUORKASZMZQU-UHFFFAOYSA-N 445.285 4.899 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cn(CCCC)nc1C 1587568673 RLALEFFXWZAARD-HXUWFJFHSA-N 430.600 4.559 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1587793474 NZFXZCWSEGXJMZ-PXNSSMCTSA-N 433.021 4.889 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1587808202 NURBDCGCVHQIPI-SFTDATJTSA-N 436.604 4.552 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@](C)(O)C1CCCCC1 1588181387 SQEFKCCSZZKUBV-SQHAQQRYSA-N 432.612 4.614 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1589460156 KWLUBWIEGKZBDN-RTBURBONSA-N 447.377 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCc1c[nH]c2cc(F)ccc12 1589676152 NDLULWNRJZKULH-UHFFFAOYSA-N 438.576 4.899 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1594247822 QHQXFOBVNXVRHI-UHFFFAOYSA-N 427.474 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(O)(c3c(F)cccc3F)CC2)nnc1C(C)(C)C 1594528599 LIYMTZYVECRJMO-UHFFFAOYSA-N 432.559 4.944 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1594651450 LOFPZCNYBYRJRC-YKSBVNFPSA-N 442.629 4.619 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(F)(F)F)CC1 1594687895 ZQMLMGSYXZOMFS-UHFFFAOYSA-N 446.315 4.791 30 10 IJEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1594713681 JRXPVBDIJMYFDJ-HNNXBMFYSA-N 441.377 4.531 30 10 IJEE C=CCN(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(-c2ccsc2)nc1 1594992932 VXKDFXPMAJIYTJ-UHFFFAOYSA-N 431.565 4.694 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccco1 1595076239 YOQOGAHYBIPZID-RUZDIDTESA-N 436.556 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccncc1Cl 1595184826 DATBPHXQGRIDFQ-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC[C@@H](C)C2)C1 1595688387 IDMWPTXBNVFOQH-FUHIMQAGSA-N 445.405 4.925 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)CCCN1C(=O)OC(C)(C)C 1611116924 IQJKWBBZBPMLGK-JLTOFOAXSA-N 427.467 4.623 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1CC(=C)C)[C@@H]1CCCc2ccccc21 1617566045 FONMEAVAUHZIRB-OAQYLSRUSA-N 446.576 4.746 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cccc(-n2cnnn2)c1C)c1ccc(C(F)(F)F)cc1 1622747711 WSTUIFFCJGNXCW-GOSISDBHSA-N 430.434 4.819 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(Br)cc1OC 1625758794 ZIBIGIGQOGAJNN-CQSZACIVSA-N 428.323 4.613 30 10 IJEE C=C[C@H](C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1626096657 NKWHRWNAYDADJJ-WMLDXEAASA-N 428.248 4.587 30 10 IJEE C=CC1(CC(=O)NCC2(c3ccc(OC)cc3)CCCCC2)CN(C(=O)OC(C)(C)C)C1 1626601372 TUIDTZUAEJJJFW-UHFFFAOYSA-N 442.600 4.827 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 1628290719 IWSFDPVGURWUQH-RRQGHBQHSA-N 431.360 4.568 30 10 IJEE C=C[C@H](C(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1)c1ccccc1 1629028299 ULXFZMDHGMUYLP-SFHVURJKSA-N 443.425 4.976 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccn1)c1ccccc1OC 1632192827 WIGFNELOCVJQOZ-IRLDBZIGSA-N 439.556 4.545 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CCc3ccccc3)c3ccccn3)n[nH]2)c1C 1632201385 OXNXMFSMYRKIGL-QFIPXVFZSA-N 440.551 4.575 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633894969 MXYAOKBJPLNNOW-PPHZAIPVSA-N 430.548 4.566 30 10 IJEE C#CCSCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1634051472 RJHWVHLLVNHSOI-UHFFFAOYSA-N 441.556 4.797 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C 1634575436 YEWPHTPEYLUHGG-ACRUOGEOSA-N 430.589 4.736 30 10 IJEE Cc1nc(N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c(Cl)cc1C#N 1640477872 BNIUCKFLSNLBKL-UHFFFAOYSA-N 440.975 4.978 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)nc2sc3c(c2c1=O)CCC3 1643464431 IXBYTDKGNUXEDV-HNNXBMFYSA-N 439.606 4.869 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(OC)c(OC)cc2OC)cc1OC 1650707550 BABVJWWQPGCLSD-UHFFFAOYSA-N 438.318 4.660 30 10 IJEE CCc1ccc(OCc2nnc(Sc3ccnc(C#N)n3)n2[C@H](C)c2ccccc2)cc1 1651334949 BSRSRKNPVOTOSK-QGZVFWFLSA-N 442.548 4.842 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)OC 1652430983 LCVDSADOJXNTTK-QGZVFWFLSA-N 426.563 4.536 30 10 IJEE C=CCN1CC[C@@H](Sc2nnc(-c3ccc(C)cc3)n2-c2ccc(OCC)cc2)C1=O 1652513274 GDFUWCYMSQIXRM-OAQYLSRUSA-N 434.565 4.520 30 10 IJEE C=CCc1cc(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)cc(OC)c1OC 1654373972 UUQBGJBCYAHRBB-UHFFFAOYSA-N 427.551 4.996 30 10 IJEE C=CCn1c(SCCOc2ccccc2C#N)nc2sc3c(c2c1=O)CC[C@H](C)C3 1655969651 CBCJKRYNMVORMP-HNNXBMFYSA-N 437.590 4.812 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1OC 1656308689 UHJWWLATIWFNHM-HRAATJIYSA-N 446.950 4.894 30 10 IJEE C=CCOc1ccc(CNC[C@H](CO)Cc2cccc(Br)c2C)cc1Cl 1657966718 QJOBQEWTJMTKRP-QGZVFWFLSA-N 438.793 4.917 30 10 IJEE CCc1ccc([C@H]2CN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CCO2)cc1 1658254466 HAPVOSZYRBOJDV-HSZRJFAPSA-N 425.960 4.531 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)cc1OC 1658615673 PXOBZFRWUFRRGV-QFIPXVFZSA-N 426.985 4.942 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1 1660030994 CQXDGLRWSNIBEK-UHFFFAOYSA-N 439.920 4.503 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(F)cc2F)c1 1661060445 FCQPQXUQFCTTCR-UHFFFAOYSA-N 430.428 4.528 30 10 IJEE COC(=O)CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N 1668454296 BPFISDNUQNNIQS-PKOBYXMFSA-N 425.554 4.624 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)CCOCC1 1668857572 ZNVZCQLCZHXRHE-UHFFFAOYSA-N 448.976 4.975 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 1674014622 DMTKNBVEKKVCNE-NHCUHLMSSA-N 443.563 4.759 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1)c1ccc(Cl)cc1 1674020964 RZVCIMCMJCZIOM-YDPRHXJPSA-N 426.944 4.538 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 1674560690 ZJDSNADWQIWWST-UHFFFAOYSA-N 428.916 4.728 30 10 IJEE CCOC(=O)c1c(NC(=O)NCCC(c2ccccc2)c2ccccc2)c(C#N)cn1CC 1678536964 FADFRMASEMALAX-UHFFFAOYSA-N 444.535 4.900 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 1680097650 YBCANKAXDNQFLN-UONOGXRCSA-N 438.391 4.568 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 1680258220 DHDOIJZZLBFOMP-RTWAWAEBSA-N 428.577 4.562 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1689839807 MTRRWLHDLLQAJB-RXVVDRJESA-N 437.975 4.877 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](CCOC)C1 1689881276 LUBBLXAWRKIEHL-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C(C)C)C1 1689930654 WMNOPOZVHHQPTI-NRFANRHFSA-N 443.636 4.678 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1Cc1ccc(-c2ccsc2)nc1 1690069294 LOMHHSANBSAKMD-UHFFFAOYSA-N 429.549 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@@H]1C 1690192875 FGNLRYLJSCDTAC-UNIVCBNLSA-N 435.616 4.511 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCSC(CC)(CC)C1 1690227576 BZTMJFOVUBSTMZ-OAHLLOKOSA-N 429.428 4.540 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2CCCC[C@H]2C1 1690229735 DYYSRJSJAFURFG-MJGOQNOKSA-N 445.405 4.803 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2csc(CC)n2)CC1 1690382574 UGDDNABYBQRRHB-UHFFFAOYSA-N 437.613 4.892 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](C)C2)CC1 1690416993 ABHSAZOECWNITG-FYZZASKESA-N 443.636 4.887 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1690455580 KPLKCFSKWUDPFL-OAQYLSRUSA-N 447.583 4.849 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1690467880 LMUPJWHXFUAWOO-LJQANCHMSA-N 449.393 4.511 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C2CC2)C1 1690503781 OBMPLZFQULKQQZ-QGZVFWFLSA-N 431.378 4.537 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1690572284 YFIFADNBZWXZDY-DHLKQENFSA-N 447.558 4.577 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cl)=C(Cl)C1 1690736418 DJFIVVHSHHYYSH-UHFFFAOYSA-N 440.356 4.672 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCC2)C1 1693557438 CXIYBQZISUENRL-NHCUHLMSSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1nc(C(C)C)cs1 1705506254 UKHDEAJYPRKWJJ-MRXNPFEDSA-N 441.626 4.665 30 10 IJEE C#CCCCCn1c(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C 1705521599 GMFSUFNVQUQTEA-QGZVFWFLSA-N 429.634 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC[C@@H](F)C1 1705588732 IZGZMQYRLDLNGX-NLWGTHIKSA-N 428.939 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)OC1CCCC1 1705697796 NWLPNDUWBMYHEH-FGSXEWAUSA-N 444.551 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CC1(c2ccc(F)cc2)CCOCC1 1705714292 LUNFYFLQLNJQAQ-UHFFFAOYSA-N 449.574 4.938 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1705779535 MSRXXSRGAWYMKJ-DEOSSOPVSA-N 430.600 4.608 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(O)(CCC)CCC)CC1 1705782091 OUELSTGEXWXXNQ-JOCHJYFZSA-N 440.588 4.524 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1705797161 QUWSNBNVQGKONX-QPTUXGOLSA-N 438.616 4.785 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCN(C)C1CCCCC1 1705838885 GIJDRUMUJPYYCJ-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@H]2C[C@H](F)C2)C1 1705927856 HVACUKZBMOOQAY-UFYCRDLUSA-N 430.593 4.798 30 10 IJEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1706146005 CCEBSTOGZDOSAB-NRFANRHFSA-N 430.556 4.696 30 10 IJEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1706146046 DLPQZLYDPIHVFI-IBGZPJMESA-N 436.585 4.677 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)C1 1711594218 DHSHYSGCUSFBFW-DENIHFKCSA-N 429.515 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(F)cn1 1722281813 ZJDHCCYZAWZQQF-IAGOWNOFSA-N 441.938 4.729 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)F 1722492791 VATRYFCYICKGEC-GUXCAODWSA-N 438.494 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccn(C)n1 1722507069 XMSATYUJGXAPLT-UHFFFAOYSA-N 433.585 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722511806 MMKGGBIWWOZXFT-KRWDZBQOSA-N 432.597 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCOc1c(C)cccc1C 1722514920 LCFXTGXNRZDBIT-UHFFFAOYSA-N 444.583 4.615 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2oc(CC)nc2C)CC1 1722560752 HLDHEIJPWRNHLP-UHFFFAOYSA-N 442.361 4.771 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722605327 DCNNGOMAPZCINP-ICSRJNTNSA-N 431.625 4.717 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC(F)(F)F)c1 1722637610 VPIYJOCTILAAEF-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CC(F)(F)CO1 1722675815 SJQNUYTUTXQKAO-IBGZPJMESA-N 448.901 4.851 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](SC)C(C)(C)C)C1 1722722424 OUACGNUWUGGQJH-AZUAARDMSA-N 432.609 4.567 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722734378 YQBBBBOUEVEUPH-NRFANRHFSA-N 426.630 4.558 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)o1 1727978051 IBUKQTUDSCLKSI-ZWKOTPCHSA-N 448.571 4.651 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740569991 NAIZJGWVOWDSIO-FQEVSTJZSA-N 444.526 4.637 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccccc1OCC 1740603560 XAHDWMYEFHVRMJ-GOSISDBHSA-N 434.609 4.842 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCc1csc(C(C)(C)C)n1 1740651491 HVYQULNBASAVNY-UHFFFAOYSA-N 431.609 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(OC)c(Cl)c1 1740733167 DYMMXLGAEIDICZ-JOCHJYFZSA-N 426.973 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(C)C)C1 1740758641 AAMVGYLQILRUNP-STSQHVNTSA-N 430.543 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)CC1CCC1 1740766027 FWBUULCAQRRHPE-AUSIDOKSSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCSC1 1740777386 XRQZUICNCUXDGB-MOPGFXCFSA-N 449.665 4.896 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2cccc(F)c2)CC1 1740819619 WURSGXOVOKRSAY-UHFFFAOYSA-N 444.352 4.964 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1740839141 BKRZUAIPTLCPQY-UHFFFAOYSA-N 445.464 4.873 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@@H](C(=O)NCCC)C2)nnc1C(C)(C)C)c1ccccc1 1740854792 JCWMJGMDWAZFPT-FCHUYYIVSA-N 437.632 4.678 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CCC)C1 1740921431 UDBRKZSEPSWZGK-OFNKIYASSA-N 441.595 4.583 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1740948220 BNPDFCUHFUVOEN-NRFANRHFSA-N 436.604 4.543 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C(C)C)CC2)C1 1740972987 PJODVINVBPSORZ-GHTZIAJQSA-N 428.552 4.775 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCc1nccs1 1748642460 PAIGAWNFSUGYBS-HZPDHXFCSA-N 429.977 4.619 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1ccco1)N(CC)CC 1748665828 VKBPAJNWHLCRQF-GCJKJVERSA-N 430.556 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(COc2ccccc2)CC1 1749130999 PGFBVUKNJYEDFB-DHLKQENFSA-N 438.616 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1749154352 QASYRPVPFCDXBI-UHFFFAOYSA-N 445.546 4.732 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1749195563 UEBVTGXKWMRNGA-HXUWFJFHSA-N 443.586 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1749356864 ASJRYPJWZHDRLM-AZUAARDMSA-N 441.620 4.970 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C2CC2)C1 1749429222 JIPSHDXTFMRUNP-WOJBJXKFSA-N 429.609 4.595 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)CN1CCCCC1 1760098717 WFDODEZIDBZNEU-IEIRFRATSA-N 437.632 4.615 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@H](C)C1 1760197714 HLPRTOLHIQHGFJ-HOTGVXAUSA-N 445.792 4.870 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(C)s1 1760228876 VRPWEZKANKWGDT-UHFFFAOYSA-N 429.387 4.894 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1C1CCC1 1760273900 BYMFQBDLSWSWHL-PXNSSMCTSA-N 428.577 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760317456 GHTCQCYJZCKAMB-JBACZVJFSA-N 445.007 4.831 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1760354379 YLRMCRWSAQCHFX-PZJWPPBQSA-N 440.588 4.572 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1760379691 CXMSLGDECRIUST-KRWDZBQOSA-N 434.878 4.692 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1760401110 ZZSOVUCXEZMTGF-UHFFFAOYSA-N 444.627 4.941 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1760428858 JSUQZFBRBMZTAO-UHFFFAOYSA-N 446.024 4.682 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760435040 VMKUYSWCNSWYNI-WBMJQRKESA-N 432.849 4.860 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2CCC[C@H]21)C(C)C 1760489239 DEPSMQADRXTHFI-AFXVXQJMSA-N 427.637 4.597 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCCC1 1760500384 JFAMJUWIRYYREO-UHFFFAOYSA-N 446.020 4.548 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760506473 AGNVGVXBEIWUDF-JXFKEZNVSA-N 432.515 4.874 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(C)C)C1 1760537276 MGDJBHRLQFQJKJ-KRWDZBQOSA-N 449.393 4.544 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1760562767 VHPDDHBNXPPGFI-UHFFFAOYSA-N 447.608 4.952 30 10 IJEE CC(F)(F)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1761453522 BHPVOHIUVMXUBZ-SFHVURJKSA-N 429.899 4.711 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)CCCO2)c1C 1761584405 APESEDLFBUOLMU-CJFMBICVSA-N 437.588 4.734 30 10 IJEE C[C@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)C1 1762821937 BBXCRQLYXJOUJI-REWPJTCUSA-N 434.632 4.954 30 10 IJEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccccc2Oc2ccccc2)n1 1858764439 HFTRDDKASDJTNY-UHFFFAOYSA-N 445.475 4.574 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@H](COC(=O)C(c3ccccc3)c3ccccc3)C2)c1 1860081421 IUQOQISJBBLTHI-QFIPXVFZSA-N 438.527 4.786 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)COc3ccc(NC(=O)c4ccco4)cc3)c2C#N)C1 1860138704 MGDCBWHUTTXUQE-AWEZNQCLSA-N 435.505 4.607 30 10 IJEE Cc1ccn2cc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(C#N)c4)c3)nc2c1 1860463806 UTBQJKFXPUCESJ-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)Nc2ccc(Cl)cc2Cl)CC1 1860592184 TZYKORHJIYMBBB-NRFANRHFSA-N 435.351 4.681 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1OCC(C)C 1861359713 XYEUJEWDFCDUHB-GMAHTHKFSA-N 446.632 4.554 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC)cc1 1862437276 NSRFTWGRWQCWGK-NRFANRHFSA-N 443.927 4.744 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480857 QIRFXSQSOYBIMR-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2Cl)ccc1F 1862503293 UZHUGYIMBAGNDJ-MGPUTAFESA-N 429.875 4.545 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862533523 LTUJHZCMENFMJW-XMMPIXPASA-N 442.515 4.821 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862583295 XJGKKVHGXIJIHJ-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862651391 RSRAXNDUTFEBLF-MZNJEOGPSA-N 429.516 4.922 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1C(=O)O)c1ccc(F)cc1 1862678435 NVIVZXCDCPGMCF-QFIPXVFZSA-N 449.478 4.993 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccc(C)c3)C2=O)cc1 1863216618 VNOYHUOYTWXLDQ-UHFFFAOYSA-N 437.499 4.658 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)cc3)C2=O)cc1 1863270578 PZUNDOBWASUMNE-SFHVURJKSA-N 437.499 4.829 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)c1 1863321318 RVLDZZYMUKSHOI-UHFFFAOYSA-N 443.453 4.846 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2ccccc2)C1=O 1863588288 WGNJABNONRDRMW-UHFFFAOYSA-N 435.524 4.825 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccccc2F)C1=O 1863644535 JUJJRAINMIYESS-IBGZPJMESA-N 430.564 4.815 30 10 IJEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N([C@H](C)c2ccc3c(c2)CCCC3)C1=O 1863693490 ZHZSRKRADQEGMU-LJQANCHMSA-N 444.575 4.971 30 10 IJEE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866772990 WEWOQWJVBSBZMD-QFQXNSOFSA-N 435.568 4.929 30 10 IJEE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1ccc(C#N)cc1 1867179209 MPUNMIAISHVQHF-JOCHJYFZSA-N 444.535 4.550 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)Cc2cccc3ccccc23)c(C)c1 1870151874 PLTJSBGVXKZKRM-UHFFFAOYSA-N 438.535 4.628 30 10 IJEE Cc1ccccc1Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC[C@H](C)C1 1870348109 JLXGYNLIBRKTQG-NRFANRHFSA-N 441.575 4.888 30 10 IJEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1 1870348665 HHQXWQGXBKLNES-UHFFFAOYSA-N 429.564 4.969 30 10 IJEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2ccc(CC)cc2)cc1=O 1870813090 WBDXBOXDQGIFFQ-DEOSSOPVSA-N 438.955 4.975 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CO2 1871359553 QDASMWCKVFNITE-RYFGWZLYSA-N 449.572 4.908 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871390148 IOUTXNPLTHZQJV-UUYOSTAYSA-N 432.403 4.895 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1871884053 CPTIHCLKMWHFPK-QFIPXVFZSA-N 440.952 4.897 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(=O)(=O)CC 1871948122 SEYBPBVXAZUPKQ-IBGZPJMESA-N 441.380 4.901 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872464693 YELWEWJCZZCTQZ-HXUWFJFHSA-N 428.598 4.768 30 10 IJEE COc1ccc(Br)cc1/C=N/n1c(C)nnc1SCc1ccccc1C 1873501498 ZJGOGKYXIDCWCO-SRZZPIQSSA-N 431.359 4.841 30 10 IJEE Cc1ccccc1N1CC(=O)C(c2nc(-c3ccc(Br)cc3)c(C)s2)=C1N 1873529487 FJQPPXSRYCEIRP-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE OCCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1Cl 1874269161 NFEQBWFTIIIYDN-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(O)c1 1874283286 ZCVBHZBMNRLMNQ-FSJBWODESA-N 428.945 4.678 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2ccccc2OC)nnc1SCCC 1874290426 SNLAZOFNAZIRLT-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)c1 1874426772 ZSADWHNBOPKICS-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cccc(O)c1 1874475353 WATCKSFDTKFXAC-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1cccc(F)c1 1874477891 NWPSGSUFIKDMGD-YDZHTSKRSA-N 430.505 4.704 30 10 IJEE Cc1ccc(OCc2nnc(S)n2/N=C/c2cccc([N+](=O)[O-])c2)c(C(C)(C)C)c1 1874569197 LWALRDJBSKSVAJ-WSDLNYQXSA-N 425.514 4.542 30 10 IJEE CCc1ccccc1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCO2 1874582881 LNXXHBBWZXLPES-ACCUITESSA-N 429.472 4.891 30 10 IJEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c1C 1874597284 DMMVTFRZMSSKCW-PKNBQFBNSA-N 429.472 4.946 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCc3ccc(OC)cc3)ncnc21 1875231463 OFOPXJYKXYJBOW-UHFFFAOYSA-N 441.535 4.510 30 10 IJEE N#Cc1ccc(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl 1885412857 JWDWQVMVEDGPPM-UHFFFAOYSA-N 431.879 4.689 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H](C)Oc3ccccc3Cl)ccc21 1890683214 LAQLFIGYUGVLOH-HNNXBMFYSA-N 428.916 4.684 30 10 IJEE C=C(COCc1ccccc1)[C@H](Cc1csc(CNC(=O)OC(C)(C)C)n1)NCCC 1922090756 CFSYJWLQMYWSRK-NRFANRHFSA-N 445.629 4.852 30 10 IJEE C=C([C@@H](NCCC)[C@H](O)c1cc(Br)c(Br)o1)[Si](C)(C)C 1922926194 IBFWCNVDYCQFQZ-CHWSQXEVSA-N 425.237 4.640 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C=O)(Cc2cc(Br)ccc2Br)C1 1982455756 NSBRPNQSUNJTAK-QGZVFWFLSA-N 447.167 4.580 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCC2 1983652579 YSZSEJSLRGFCQY-IBGZPJMESA-N 433.471 4.612 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)C1 1984530361 LAMZQBBYTKAIMY-QFIPXVFZSA-N 433.574 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]2C[C@@H]21 2008448964 OOXGHEWYIOYGMT-IEGUWTFLSA-N 431.508 4.859 30 10 IJEE C=CCC1([C@H](O)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2028174006 HJJSMNCVUWUJRF-MRXNPFEDSA-N 430.770 4.819 30 10 IJEE N#Cc1ccc(N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c(Br)c1 2043997566 KNZRYMGHENNCFT-FQEVSTJZSA-N 440.341 4.924 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)c(O)c1 2079031815 RXOOODYWFHPFOD-MRXNPFEDSA-N 437.325 4.916 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(F)c1 2079130504 DHIHOLNZFMPIDK-AWEZNQCLSA-N 433.215 4.990 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(-c2cccc(C(F)(F)F)c2F)c1Br 2080191919 LVXZAGUHQDOVFT-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 2102883144 VWGNSRBVSHRCDN-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3cc(Br)c(Cl)s3)c2)OC1(C)C 2121788800 FEOVYAUXJCAPRL-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CCC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)cc1 2124538740 MUBSAMGSMWUODX-UHFFFAOYSA-N 444.381 4.517 30 10 IJEE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)cc(F)c1C#N 2174768619 UZMBIBNQDBXOND-HZSPNIEDSA-N 440.357 4.835 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181052624 GKTSLRZPJRXDPE-ZIAGYGMSSA-N 436.350 4.590 30 10 IJEE Cc1ccc([C@@H](C#N)C(=O)c2ccc(Br)cc2I)cc1 2207270211 BKJFMVNTUONSNC-CQSZACIVSA-N 440.078 4.852 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2235720688 PWXMNGHVMDRPSP-WSTZPKSXSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#CC1CCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2251408848 XDWWCZNTRHAGEA-HSZRJFAPSA-N 426.601 4.612 30 10 IJEE CC1(C)OB(C2CC(C(=O)NC3CC4(C3)CC(OCc3ccccc3)C4)C2)OC1(C)C 2255597751 SHIGHOSKYMLLOH-UHFFFAOYSA-N 425.378 4.503 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2255609741 WAZOXFSICNKSMK-PLACYPQZSA-N 427.394 4.701 30 10 IJEE CN(Cc1cccc(I)c1)Cc1ccc(Br)cc1C#N 2280349771 PKFCPEJJPIQHNN-UHFFFAOYSA-N 441.110 4.557 30 10 IJEE CC1(C)OB(c2nscc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2281998754 SZHVPCJXDZBDDR-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296221060 FJQSBIYBEWABDD-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296231676 GYGFNDDMDWUSSZ-KPLVRAHFSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC 2296298770 NLYGPPWBLFSLOC-VAMGGRTRSA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296299258 SSIUGKAKUPOHLL-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2ccc(Br)cc2)CC(C2CCC2)C1 2296309524 WTRNMTGIHGYFQU-OZWAEMERSA-N 433.390 4.602 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)c1 2296586612 XJGVJUPZYGTCIR-UHFFFAOYSA-N 431.488 4.658 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccccc3)CC(=O)O4)C2=O)cc1 2297591670 RVIUITIKMPHAAT-IBGZPJMESA-N 426.424 4.530 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2304626665 VRAZWHRHDOIOBB-BKSPAHHJSA-N 428.573 4.698 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2304626990 XOAISACPNBRKEQ-BPYKYCOYSA-N 428.573 4.555 30 10 IJEE C[C@H](Oc1ccc(C=C2SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1)C(=O)O 2313565245 VBXAYTXBHNGJLZ-JTQLQIEISA-N 437.304 4.737 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2314437937 BFDGIBOMQVFYCC-UHFFFAOYSA-N 431.400 4.577 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(Cl)cc1 2320923605 ZFNQKRFVWYMYAG-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccccc1 2322657785 USQGBHUWPZBCQM-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c1 2322659458 VZELLBWSTOYHJD-LJQANCHMSA-N 445.515 4.856 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(F)c1)NCc1ccco1 2322781798 XEUABYUDVLDGDN-UHFFFAOYSA-N 431.822 4.803 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323149790 SASUALZUVALSJB-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1 2323178107 JTUGTYGLKXXVRX-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Br)c1OCCCO 2323648188 GXIMUSUUZNVPJF-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC(C)=O)c4)c3C)C2=O)cc1 2323896809 YDDWPAMFAOHNEN-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2Cl)o1 2324087309 VTLIOBFWXCAAPL-UHFFFAOYSA-N 440.835 4.923 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)c(OC)c1 2324111110 CVRCBMWNBFCRDN-UHFFFAOYSA-N 443.499 4.584 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cnc(C)cn3)c2)c(OCC)c1 2325762780 SSHZWIVRHCMRCK-UHFFFAOYSA-N 432.476 4.698 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1ccc(OCC)cc1 2326450698 FSKMTADUEUMSLU-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc1[N+](=O)[O-] 2326728564 ABTPLGALPBBRIB-UHFFFAOYSA-N 429.477 4.597 30 10 IJEE C=CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cn(C)c2ccccc12 2328652416 GSNIGPBBJZJJQA-UHFFFAOYSA-N 431.565 4.724 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccncc1 2330576001 LHUFJUJQRTXXKD-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2F)nnc1[C@H]1CCCO1 2330961380 IPGFYBFIHNWPPS-GOSISDBHSA-N 432.908 4.802 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(O)cc2)c1 2331362383 DKOFLAQYXXKLMJ-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(COC)nnc2SCc2cccc(F)c2)cc1 2331562730 RQTCDUOAGCQLQH-UHFFFAOYSA-N 427.549 4.584 30 10 IJEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2339574678 LMKRCRFJKKADGY-HKUYNNGSSA-N 443.397 4.926 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2363628372 ZGGXKCSTGNEHRW-RBUKOAKNSA-N 449.414 4.586 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)C#Cc2cnn(C3CC3)c2)c1 2366018956 XGWWJIJUQITWNG-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE C#CCCCC[C@@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366661807 WZMMLETVNIUROG-TZMCWYRMSA-N 425.763 4.601 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1)N2 14550305 JQTXPLHFMUZTDR-FBLLAGFSSA-N 436.577 4.884 30 10 IJEE O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1cccc(O)c1)c1ccccc1Br 22730460 BLGRDRCPQDBBQE-UHFFFAOYSA-O 446.321 4.632 30 10 IJEE C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 31424800 RQXFIFSIGRFXOD-HTWGIDMLSA-N 446.672 4.899 30 10 IJEE Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4ccccc4C#N)nc23)cc1 33022360 FPHXIZXPXRIOLV-UHFFFAOYSA-N 446.557 4.573 30 10 IJEE C=CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)c1 33271652 XEPRTYMUBNOHQR-GOSISDBHSA-N 446.532 4.838 30 10 IJEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CCc1ccccc1 34798932 RCCQLPBSFNFPHT-UHFFFAOYSA-N 444.575 4.807 30 10 IJEE CCOc1ccc(/N=C2\N=C(O)S\C2=C2/C(=O)Nc3ccc(Br)cc32)cc1 45315917 SPOBZJNHNZBXCH-NXVVXOECSA-N 444.310 4.902 30 10 IJEE COc1ccc2c(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c(C#N)cnc2c1 64473634 JECGHMPERKUYHP-UHFFFAOYSA-N 438.890 4.763 30 10 IJEE COc1cc(/C=C\C(=O)N2CCc3sccc3[C@@H]2c2cccs2)ccc1OCC#N 96920699 PZDGCVUGPOSIBG-BLAQYMCESA-N 436.558 4.908 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2ccccc2F)/C1=C(O)\C=C\c1ccccc1 103108791 ZHRNKKDBIKBEBO-DLURUVICSA-N 443.430 4.706 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)ccc1OCc1ccccc1 169905222 SHIKYWVCXPTKPW-PCLIKHOPSA-N 438.549 4.594 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccccc1C 169946360 CYCJKQSQIATVAF-XMMPIXPASA-N 441.483 4.721 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(OC(C)C)c2)cc1 169980017 KUBONJGSEUDELA-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc2c(c1)OCO2 170041015 FNSDCXXCCIINAI-OAQYLSRUSA-N 449.846 4.557 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc3ccccc23)c1 170044814 CQCOLQLLDHHKBJ-RDPSFJRHSA-N 443.499 4.606 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)c1 170148209 MDWQMFNOJGMJIR-QFIPXVFZSA-N 425.500 4.836 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)cc1 170168095 POKCPBWDSOGIGA-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccncc1)c1c[nH]c2ccccc12 170206499 SVCYXCKIPRZVHG-OAQYLSRUSA-N 431.398 4.624 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@@H]1c1ccccc1F 170253045 SDYSXENWVDVSMH-SFHVURJKSA-N 448.288 4.585 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170261961 ZWVCECYCAUFLSS-HSZRJFAPSA-N 433.504 4.628 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCOC(C)C)cc1 170265022 ANHAOUGQZGBNAX-QHCPKHFHSA-N 437.536 4.569 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccco1 170288956 LJTUWEWFVVXBTM-OAQYLSRUSA-N 433.460 4.702 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2sccc2C)cc1C(C)C 170312800 BKMPOUMCUZYXPA-HXUWFJFHSA-N 443.565 4.803 30 10 IJEE N#C[C@@H](c1ccc(I)cc1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 310026928 VSJBBUBWKXHFHF-HKUYNNGSSA-N 446.288 4.557 30 10 IJEE C=CCOc1ccc(CN[C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)O)cc1 426737408 NQXLXOQQUAXZRZ-FQEVSTJZSA-N 428.941 4.814 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 490047626 FGSHYTFLGOHAEO-CABCVRRESA-N 440.638 4.650 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN[C@H](C)C(=O)O 504136047 WSZZGSWXNSKKNT-ILFXXQAASA-N 431.573 4.727 30 10 IJEE biogenic COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)cc2OC)cc1 526603879 HRDYEVLKXBRPPC-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@H]1c1coc2ccc(F)cc2c1=O 526606516 LKGAHZUAAQAJIL-OAQYLSRUSA-N 444.443 4.922 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(C)c2)c1 526607179 NNTSIWCIXDUOJX-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2/N=C\c2c(C)n(CC)c3ccccc23)o1 526830310 VTQIFWZXCXXOJH-MSXFZWOLSA-N 437.525 4.505 30 10 IJEE C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-n2cccn2)cc1 539336242 FTWOLQIXXLPATQ-DLBZAZTESA-N 433.581 4.752 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 576195751 RKOOCCOIRYITNN-ZWKOTPCHSA-N 434.462 4.536 30 10 IJEE COc1ccccc1CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1 586169928 RPHYCOOTDNYXTL-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ccc(OC(=O)Cc2ccc(Br)cc2)cc1 586513773 FIYDVTCOAYUPBV-UHFFFAOYSA-N 429.314 4.803 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)c1nc(C(=O)OCC)cs1 608896069 KSSUUJGWAWSENN-NSHDSACASA-N 429.325 4.613 30 10 IJEE CN(c1ccc(OCc2cc(Cl)ccc2OCC#N)cc1)S(=O)(=O)c1ccccc1 735305686 XNHSSAGNSIZAPJ-UHFFFAOYSA-N 442.924 4.646 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3ccc(Br)s3)c2)s1 739971356 DUXAZLXMRLTMOL-UHFFFAOYSA-N 439.381 4.589 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cc(C)cc(C)c1 742215452 XSGQSCOPSFWDHI-JOCHJYFZSA-N 444.560 4.549 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnc(-c2ccc(OC)cc2)s1 744029939 XRAFNEPUKPRWCS-LJQANCHMSA-N 433.533 4.905 30 10 IJEE CCOc1ccc(NC(=O)c2ccc(NC(=O)NCc3ccc(OC)c(C#N)c3)cc2)cc1 747200672 KCOOSUHCLQTORD-UHFFFAOYSA-N 444.491 4.540 30 10 IJEE C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 759842327 BTGKEDHMGPEYHW-QWHCGFSZSA-N 444.940 4.541 30 10 IJEE N#Cc1ccsc1N1CC[C@@H](OC(=O)c2csc(-c3cccc4ccccc34)n2)C1=O 778192103 XDYHJSJCURSEKM-LJQANCHMSA-N 445.525 4.859 30 10 IJEE CCOC(=O)c1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(C)c2)cc1 783957786 HIPHQOQZGTXLGT-UHFFFAOYSA-O 444.536 4.654 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCCN(c3ccc(C)cc3)CC2)c1=S 917486302 WTDGUJZRHUFPIN-UHFFFAOYSA-N 449.624 4.754 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc3oc(C(=O)OC)cc3c2)CCCN1C(=O)OC(C)(C)C 1125042317 BQVVPBXTRCUMSX-QHCPKHFHSA-N 428.485 4.504 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1129324523 HGVCBCRXALSISX-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)CCCN1C(=O)OC(C)(C)C 1130140200 WRVIIJJEVAGFFL-HSZRJFAPSA-N 448.633 4.584 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)C1 1131568213 ZGUNPQPYAVQARI-QGZVFWFLSA-N 444.984 4.520 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1136026355 SRNCFBMEBDFCKB-GOSISDBHSA-N 449.551 4.860 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 1136352975 RGNKGHGBULSXIH-HXUWFJFHSA-N 426.561 4.519 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C1CCN([C@@H]2CCSC2)CC1 1136699001 FZCUDLSAMCKTCM-HSZRJFAPSA-N 437.584 4.757 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1142548348 GBHGXYLQDVPKDB-IZAXUBKRSA-N 436.512 4.768 30 10 IJEE C=CCC(CC=C)C(=O)NC1(c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1153879133 GMZWXQZBGOEOKN-UHFFFAOYSA-N 449.389 4.780 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC2CCCC2)C(C)C)nc2sc3c(c2c1=O)CCCC3 1164599115 ISIKIFBAEAKWBG-LJQANCHMSA-N 445.654 4.698 30 10 IJEE Cc1cc(F)ccc1N(CC(=O)NCCc1c(F)cccc1F)Cc1ccc(C#N)cc1 1167850620 BZJNUUKUOGZKIJ-UHFFFAOYSA-N 437.465 4.650 30 10 IJEE CCOc1ccc([C@@H](C)NCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OCC 1168592015 BTOQEEPVUPEBFC-MRXNPFEDSA-N 441.597 4.975 30 10 IJEE CC(C)(C)c1csc(NC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1C#N 1205528154 DRHJAWWATFDLDM-UHFFFAOYSA-N 441.553 4.516 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21 1219084520 PDOGQRQFQXQEQG-KCXAZCMYSA-N 429.405 4.515 30 10 IJEE C#C[C@H](NC(=O)NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(Br)cc1 1221577145 IXWFRWWUQKRFJR-SFHVURJKSA-N 430.733 4.800 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1229652750 LUPQEHHAIQHCLG-UHFFFAOYSA-N 442.482 4.972 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)c1ccccc1 1271170072 JZOATPPGNZDSBL-QFIPXVFZSA-N 437.540 4.782 30 10 IJEE CC(C)(C)c1csc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1C#N 1274499008 FJECSUOZRTVXCL-UHFFFAOYSA-N 435.343 4.632 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)CCC 1286423667 VUBSOAIYMUXGKR-HSZRJFAPSA-N 441.000 4.827 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCc2cccnc21 1286450145 DDTFLDJYLANHEV-AZUAARDMSA-N 433.531 4.532 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N(C)CC1CC(F)(F)C1 1286542086 HSONFMZLRYJKLQ-UHFFFAOYSA-N 441.320 4.556 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC=C(Br)C1 1286631558 PMAWXPUKAYWHIZ-UHFFFAOYSA-N 432.753 4.592 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccc(Cl)s2)CC1 1286648041 BLQQQGURKOHNJZ-UHFFFAOYSA-N 430.961 4.785 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(C)ccc2OC(F)F)CC1 1286661313 ZDIKDUUZCKVKFQ-HXUWFJFHSA-N 432.515 4.880 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1286665665 BARHNVZWAPLKAI-UHFFFAOYSA-N 441.963 4.693 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1286673280 AQUQKQHJYBHAPE-UHFFFAOYSA-N 445.558 4.966 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1286685227 QFBUOWOLWZLIFA-DEOSSOPVSA-N 428.577 4.714 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286694199 NYSLNKLOGPIUME-UHFFFAOYSA-N 437.632 4.904 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286706703 TVHNCPNJEDPUQJ-MRXNPFEDSA-N 434.993 4.579 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1ccc(N2CCCC2)nc1 1286742808 QRVGGRBOBWIJBW-UHFFFAOYSA-N 441.583 4.509 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1CC(F)(F)F 1286744220 BZUYUKFRJIUAOT-UHFFFAOYSA-N 425.455 4.528 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@](C)(O)c1ccsc1 1286745983 ZTMTYRDZHDCRKD-QHCPKHFHSA-N 426.561 4.532 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1C 1286747307 IJWSQYBKQABLDW-UHFFFAOYSA-N 436.972 4.999 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1ccsc1 1286782932 HZUFXDJADBMIFQ-NRFANRHFSA-N 449.624 4.948 30 10 IJEE Cc1ccc(Oc2ccccc2CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 1290342026 BFPJMKJRDVIYKS-RUZDIDTESA-N 425.532 4.739 30 10 IJEE C=CC1(CC(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)CN(C(=O)OC(C)(C)C)C1 1293262025 HVLXSKBMMYTGQF-UHFFFAOYSA-N 429.561 4.731 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCO[C@H]2C(C)C)c1 1300373667 BWFUBUBCFFNQAQ-JLRUASKGSA-N 437.588 4.535 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1300431015 RTLJHGRAZUVNIE-HSALFYBXSA-N 444.023 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOCCCC 1300801432 QIKZKOZCHVDENP-RUZDIDTESA-N 433.556 4.799 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCc1ccc(Br)cc1 1300802685 UICBSHVYNOODKI-DENIHFKCSA-N 443.389 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccc(COCC(F)(F)F)cc1 1300806426 VCBNZDJJIQVVDT-JOCHJYFZSA-N 434.506 4.596 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1300958775 PQPMPVZZZBITLX-SFHVURJKSA-N 429.634 4.919 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1300983029 UVOXPLUIVLUUNE-GHTZIAJQSA-N 435.399 4.866 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@](C)(CC)C1 1301017045 GBMHRGXSPFMJGW-MGPUTAFESA-N 425.360 4.829 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOC(F)(F)F)CC1 1301072496 JMPYTAUUTBWPBL-UHFFFAOYSA-N 445.283 4.791 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)C2CC2)CC1 1301119391 HBQOKTIZSRHTNK-IBGZPJMESA-N 431.378 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H]1CC 1301148750 RNPHMEZWNYHTDH-PZJWPPBQSA-N 437.636 4.679 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1301195017 UBKDBRBFVOGRSV-UHFFFAOYSA-N 435.616 4.766 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCOC(C)(C)C1)C(C)C 1301366569 FETLYOQYXSYVNF-QHCPKHFHSA-N 437.632 4.567 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCOC[C@@H]1C)C(C)C 1301367787 SFQSKLYKQYIISU-RBBKRZOGSA-N 449.599 4.615 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1301390121 DJFCUAMDKRHYAC-QUCCMNQESA-N 434.544 4.552 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)c1c(C)noc1C 1301415314 QOMGVEZCPOUNON-OAHLLOKOSA-N 429.952 4.646 30 10 IJEE C=C(C)[C@H](CO)Sc1nnc2n(-c3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc3n12 1307268191 UYVIOOGFKIKOGA-KKSFZXQISA-N 434.565 4.576 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCN(c3ccccc3)C(=O)C2)cc1Cl 1310138148 DTTBCQLFDNUWON-QFIPXVFZSA-N 444.922 4.876 30 10 IJEE CCOC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(OC)c1 1310292491 GJJDKXJUIFLCEK-OXQOHEQNSA-N 441.553 4.763 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cc(Br)ccc1-n1cccn1 1310296413 SKKOJRCUDBVXPS-UHFFFAOYSA-N 425.330 4.897 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccc(Cl)cc1F 1312346309 QCIWABLLAMBLCK-SFHVURJKSA-N 428.813 4.732 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCCC[C@H]1C 1315321546 FQKWOKRDPZHKJK-ZWKOTPCHSA-N 445.011 4.610 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCS1 1316089319 DKOYKBBGJWMYPI-OAQYLSRUSA-N 441.645 4.677 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1350849318 ZRKZYRJMDQRNSQ-SANMLTNESA-N 448.519 4.637 30 10 IJEE C=CCC1(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(C)c2)CCCC1 1352343486 GERDZCZRAHRMDO-UHFFFAOYSA-N 440.565 4.726 30 10 IJEE CCCOc1ccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 1356451930 GJNMIWDJPOAIHR-UHFFFAOYSA-N 430.504 4.865 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c(OC)c1 1357854620 ZGILCGBJQUVDOV-UHFFFAOYSA-N 426.513 4.936 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOC(F)F 1358971453 WMWWKYVGKLQJGO-UHFFFAOYSA-N 434.899 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO[C@@H]1C(C)C 1358988371 MGIYLJRTQVEVOT-ZJSXRUAMSA-N 430.552 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1359109602 HUMSKYXTHDHKDK-OFNKIYASSA-N 442.604 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cccnc2OCC(F)F)CC1 1359162798 FFTXFFOAWQONAG-UHFFFAOYSA-N 445.901 4.842 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC2(C)C)CC1 1359177764 APRUJFLQFRBDAT-PMACEKPBSA-N 443.636 4.841 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](COC)C1 1359189699 SELHLKPXWZSIMS-DENIHFKCSA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1359201750 YNWSGOZFYXMHCF-UHFFFAOYSA-N 446.386 4.658 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1c(C)cc(C)cc1C 1359232724 CIVOMUGCZCIWKU-UHFFFAOYSA-N 428.378 4.642 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)CN1CCCC1 1359243881 HWALUIBGRSCFDT-FQEVSTJZSA-N 425.621 4.509 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CC1(O)CCCCC1 1359262674 AUOOWKGGLHZNPA-UHFFFAOYSA-N 438.597 4.903 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(C)OCCc2sccc21 1359268817 DLANQGUEUBERHB-XMMPIXPASA-N 436.581 4.682 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)COCC)C1 1359313330 KFVZQJYNCBWEMJ-FQEVSTJZSA-N 449.599 4.646 30 10 IJEE CC(C)C(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1360482624 HXEXLGRXIRAYKU-MSOLQXFVSA-N 432.613 4.771 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCCCS2)c1 1361031751 ACUHYIXTJLXCIW-URXFXBBRSA-N 439.629 4.890 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 1434948984 HPWKKISSCKLNFK-CPJSRVTESA-N 446.595 4.651 30 10 IJEE C#CCSc1ccc(COC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cc1 1459023858 JAXQLXYXPGKSPA-UHFFFAOYSA-N 445.313 4.856 30 10 IJEE CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CCN(CCC(F)(F)F)CC1 1460854519 HIKWVIUOLOVBPY-UHFFFAOYSA-N 445.485 4.626 30 10 IJEE C=CCOc1ccc(CNc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1Cl 1461557166 AMAQZSVDPXGCNP-UHFFFAOYSA-N 447.988 4.768 30 10 IJEE C=CC1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1 1463086060 AWZWLAOTMMBZBD-UHFFFAOYSA-N 440.334 4.967 30 10 IJEE CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2scc(C(C)(C)C)c2C#N)n1 1466647947 CNVRVESXOASKFU-HNNXBMFYSA-N 432.571 4.919 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)cc(OC)c1OC 1477416064 KVAWPRTZBSOXGX-OAHLLOKOSA-N 447.373 4.625 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](c1ccco1)N1CCCCC1 1492557316 GODGZNIEXDBHJT-SIKLNZKXSA-N 432.572 4.670 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCC(F)(F)C1 1504444204 ARQHQKRLUIZDNG-HOTGVXAUSA-N 435.544 4.610 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1occc1C 1507661156 OESFLBMCBOCZMU-UHFFFAOYSA-N 437.547 4.765 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CN(C)CCCC)CC1 1507833479 WRWFYEIMJVTOQW-UHFFFAOYSA-N 434.632 4.806 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)c(F)c1 1507838194 MIZKAYKQIFBGNH-UHFFFAOYSA-N 433.890 4.501 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1507878377 WBGHWHTZWLWVCJ-IBGZPJMESA-N 443.498 4.599 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1507909034 OUQVCWBGPYKVBX-LJQANCHMSA-N 449.624 4.784 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1507911101 BRJKVZZDJGFGLA-SFHVURJKSA-N 445.489 4.863 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1507924554 OYCJMSLQJOKFCJ-VWNXMTODSA-N 448.615 4.866 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1507956592 QHCZFNPPYAQFIA-HXUWFJFHSA-N 440.979 4.724 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 1507989185 XFIUEOHXRHYLET-FXAWDEMLSA-N 443.389 4.844 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CC(F)(F)C1 1509944886 AJVKZVPJSZDVPT-MRXNPFEDSA-N 431.531 4.938 30 10 IJEE C=CCN(C(=O)c1cc(C(F)(F)F)ccc1NC)[C@H](Cc1ccccc1)C(=O)OCC 1516153984 AFZJPXDIOSETEI-HXUWFJFHSA-N 434.458 4.550 30 10 IJEE C=CCOc1ccc(CN(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)C(C)(C)C)cc1 1523247620 YVRFUSPNQXBGKL-UHFFFAOYSA-N 445.519 4.535 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1523485563 FVOQPEYWPBLTHV-CPJSRVTESA-N 442.556 4.672 30 10 IJEE C=CCN(CCOC)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1524882044 DFDBBINKBKZRIV-UHFFFAOYSA-N 425.326 4.939 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1526100393 XEXWGBLCHBEUTK-FQEVSTJZSA-N 434.458 4.839 30 10 IJEE Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc(Br)cc1C#N 1527013403 CKNRAWCXZFCNIJ-AWEZNQCLSA-N 440.341 4.754 30 10 IJEE N#C[C@@H]1CCC[C@@H](OC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 1528079407 BGNLSGIEEHXYLZ-RHSMWYFYSA-N 428.330 4.753 30 10 IJEE C#CC[C@H](CCOC)NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 1530713362 QYLNBGPIGUKLQV-QGZVFWFLSA-N 429.541 4.688 30 10 IJEE N#Cc1c(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)ncc2c1COCC2 1536735428 CQPLLKFKROYQQQ-UHFFFAOYSA-N 445.331 4.637 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CCCS1 1538992396 QLCWQTOXBVCCQV-BFUOFWGJSA-N 437.382 4.590 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(F)F)C1 1539105003 VPGZBABJKHKZIX-CYBMUJFWSA-N 441.295 4.742 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCOC1CCCCCC1 1539162670 WLNWSTFRAMFRLU-UHFFFAOYSA-N 440.588 4.550 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1539684744 CPWJCWKQZXSWKN-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]1CSC 1539693383 IHYMYLMHGDCMHI-OAHLLOKOSA-N 437.407 4.624 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCN2CC)CC1 1539875378 XAMVWFHSNKKHLD-GGAORHGYSA-N 437.632 4.922 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCC[C@@H]2CC)CC1 1539891958 OORYSDRSTSUSHI-QFIPXVFZSA-N 425.596 4.675 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)CCOC)CC1 1539897794 KJXGKRYEPDLPOH-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1540013363 OUTVJHFYXRPKPW-UHFFFAOYSA-N 448.596 4.844 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC2CCCC2)nc1 1540077979 VYWPRGNUMYAQSB-UHFFFAOYSA-N 437.975 4.909 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1540172418 ZXQNNJWRIFFYIM-WOJBJXKFSA-N 428.024 4.821 30 10 IJEE N#Cc1c(F)cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1F 1544972580 ATISHQHPLCOUCY-QFIPXVFZSA-N 440.833 4.780 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(COCCOC)cc1 1562929407 SZVOXROWOGETII-UHFFFAOYSA-N 435.318 4.821 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3NCCCC)cc2C1=O 1565735732 UBFMXQCHGZYOJQ-UHFFFAOYSA-N 445.441 4.952 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)cc1 1569827216 DXZMICWFRWGGIY-UHFFFAOYSA-N 438.524 4.562 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)CC2)c1 1585090494 GIGLLKSTJOTBBI-UHFFFAOYSA-N 445.460 4.529 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC 1586526169 ZGRSCKRTYHBSHB-MOPGFXCFSA-N 436.980 4.859 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCS[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 1586670911 OYNCQIWJDUGQFM-XHDPSFHLSA-N 443.425 4.540 30 10 IJEE N#Cc1ccc2nc(NC(=O)c3cc(Oc4cccc(Br)c4)ccn3)[nH]c2c1 1587347213 BONZEMQMKVGLPY-UHFFFAOYSA-N 434.253 4.637 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1587807780 IQVDQXSFADBLAX-QRVBRYPASA-N 430.980 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOCCC(C)C 1589163946 ORILFKZPZPVODW-AREMUKBSSA-N 446.599 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(CC)C1 1589506577 YHJGNYGSWDNIQZ-JTJYXVOQSA-N 440.588 4.570 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](CN(CC)CC)C1 1594687204 IJQHNFQOAYZJAI-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1594907345 TXINVXQAONYAIO-QGZVFWFLSA-N 427.593 4.778 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CCOC(C)(C)C 1595076304 ZWGXGSRFCRMKRX-NRFANRHFSA-N 428.577 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC[C@H](C)C1 1595148910 CAFSONBSRHDUAP-VQTJNVASSA-N 436.629 4.715 30 10 IJEE Cc1nccnc1CCn1c(-c2ccccc2Cl)nnc1N(CCC#N)CCC(C)C 1612453201 BIKAFQIXFGPJKS-UHFFFAOYSA-N 437.979 4.706 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1612619700 BYXYUAYGNDPQCA-HFTRVMKXSA-N 436.585 4.556 30 10 IJEE C=CCn1c(SC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1-c1ccc(OC)cc1 1613215112 GSRFVTATUGXDDV-FUHWJXTLSA-N 444.601 4.925 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(F)cc(N3C[C@H](C)O[C@H](C)C3)c2)cc1OC 1616211569 ILCGJBPERFGERJ-IQVJFIJNSA-N 440.515 4.665 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC2(CCc3ccccc3C2)CC1 1619651140 ADEAVZYYONMHKF-OAQYLSRUSA-N 431.580 4.601 30 10 IJEE CC1(C)CO[C@@H](c2cccc(F)c2)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1620423970 APJYUIDHMSZGAV-HXUWFJFHSA-N 441.572 4.818 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccccc1 1623027551 DDDYGXIQLBAZSR-XMMPIXPASA-N 432.568 4.777 30 10 IJEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c1 1624973071 BBJLWBFEPLNBIW-UHFFFAOYSA-N 449.960 4.504 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1O)c1ccc(Br)cc1 1625078221 SHEKRIHMIKCDRI-OAQYLSRUSA-N 436.305 4.838 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)c1 1625563562 KEZNHMYKEXNLKE-UHFFFAOYSA-N 440.496 4.752 30 10 IJEE CC[C@H](C#N)N(CC)C(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1626862216 DQKBULNOHWGYMA-VQTJNVASSA-N 445.563 4.798 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 1628397075 UGKLBQRJGUNGGY-IRXDYDNUSA-N 426.344 4.924 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O)c1ccc(Br)cc1 1628543324 SBSDMYHZQROLKQ-IBGZPJMESA-N 438.325 4.568 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1C 1629523881 GVBODZSRBYDWFJ-UHFFFAOYSA-N 425.533 4.640 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(C)cc1Br 1633682443 QVUZMYSWWKINMY-AWEZNQCLSA-N 429.742 4.656 30 10 IJEE Cc1ccc(SC[C@@H](C)NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 1634378411 GPAUEHRXRFEBQJ-QGZVFWFLSA-N 427.545 4.739 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 1636893192 YVNKZRILJKDDHX-HMXCVIKNSA-N 428.577 4.520 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1ccoc1C 1640706501 SAPKZIHZNQZIBW-KRWDZBQOSA-N 432.908 4.723 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2ncnc3scc(-c4cccs4)c23)C1 1642550576 ANYPBOZPDICVCM-GXTWGEPZSA-N 427.555 4.591 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(c2ccccc2OC)C1 1649542651 OAMNNNGAUNFRDL-NRFANRHFSA-N 446.599 4.586 30 10 IJEE C=CCCn1cc(CNCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)nn1 1651615096 XCBVBONRUKBERD-UHFFFAOYSA-N 444.436 4.617 30 10 IJEE C#Cc1cccc(CNCc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)c1 1652667503 JXIRATLBMSUJNZ-UHFFFAOYSA-N 443.776 4.625 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1653576156 XTFDMSXEHHYITH-UHFFFAOYSA-N 426.557 4.643 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1ccncc1Br 1656076545 MXDBCGHZUOGQNQ-UHFFFAOYSA-N 435.322 4.632 30 10 IJEE C=CCN(Cc1cc(Br)c(OC)s1)[C@H](Cc1ccccc1)C(=O)OCC 1659458937 KMHJEXANOLHPCN-GOSISDBHSA-N 438.387 4.682 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1 1669568186 AOCNWIOPGHGBCO-HXUWFJFHSA-N 444.535 4.851 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 1670328234 XXZTZFLEEWMYQZ-UHFFFAOYSA-N 442.441 4.842 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1ccn(-c2ccccc2)n1 1670842083 SJLXIJAFKIOBIN-UHFFFAOYSA-N 441.329 4.864 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 1671672962 GXRYHAIQJASYPL-DHIUTWEWSA-N 449.551 4.881 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CCC[C@@H]3c3ccccc3)CC2)c1 1673084792 ARYWXJBTPYNZBT-ISKFKSNPSA-N 430.552 4.502 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 1678356048 JJCZNBLMPLTWNO-SGTLLEGYSA-N 437.359 4.899 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)c1ccc(F)c(F)c1 1680280794 QJLWCXUGVUMQQA-UGKGYDQZSA-N 427.495 4.576 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1683366075 YAGLZSCYXUNCLG-CEWLAPEOSA-N 439.353 4.782 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC 1684446596 LLYSYCXUOMKNBQ-HXUWFJFHSA-N 445.604 4.991 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 1685375224 AMOQDCGUZUPLHB-PHTYHVAFSA-N 432.612 4.882 30 10 IJEE C#C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@@H]1CC)c1ccc(Br)cc1 1686919578 ICQXWUIIGGKSMW-PMACEKPBSA-N 426.358 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](OC)[C@H](C)CC 1690198198 GSVWCGPTMDGMQL-AYPBNUJASA-N 430.980 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1c(C)sc(C)c1Br 1690265274 LUEKTUBQOQNBQN-HNNXBMFYSA-N 439.423 4.674 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1690319416 MANQHRUZQKGXNV-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2CCOCC2)CC1 1690367569 UCKJYIBBHVZWEU-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCCC)CC1 1690410684 UHPWHZJUXGUZNM-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690430884 VZUHOUACEHFPDH-PMACEKPBSA-N 441.595 4.629 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690506492 PHWJNJSNQGXORL-HDICACEKSA-N 443.542 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CC)CCCC2)C1 1690689509 FQAXPBOKHNJGPT-HXUWFJFHSA-N 425.533 4.605 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCS2)C1 1690690415 YDPMJAQUGKNSGO-SFTDATJTSA-N 426.630 4.920 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1705732296 UYMLLZVJWDQYJN-HSZRJFAPSA-N 449.599 4.540 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NC(C)C 1705864122 RLFNVGZWBBNVID-UHFFFAOYSA-N 444.004 4.767 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1705915443 KDTHQTNQLKPGDR-FAYOUJPWSA-N 438.616 4.805 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCSC(CC)(CC)C1 1705944892 WCOBLYRSTBJNHG-UHFFFAOYSA-N 432.659 4.985 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1708575844 FEUSDRITLIYGBW-FXAWDEMLSA-N 440.592 4.602 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CC(F)(F)C1 1722374077 UMRVEYUFDYPPCX-KRWDZBQOSA-N 446.929 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCCCSC 1722474468 FKKPWCZZFKUFFG-JOCHJYFZSA-N 430.643 4.714 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2C[C@H](c3ccccc3F)C2)CC1 1722559449 XBBNBZCFIWEMFW-UAPYVXQJSA-N 425.552 4.611 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)CN2CCCCC2)CC1 1722575743 UPLOMFVTSFKCME-GOSISDBHSA-N 429.012 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnn(C)c1C 1722586067 RONYGPWIFIYXFO-UHFFFAOYSA-N 442.995 4.888 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722592153 VJCBRSLKLUKYAU-JOCHJYFZSA-N 435.547 4.968 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@@H]1CCOC1 1722623135 ADBHTUJSFAJCAZ-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CC[S@@](=O)C(C)(C)C 1722657123 RTWUBDGUUKUKDQ-WJOKGBTCSA-N 439.629 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCOCC1 1722665549 NNJOXKZKNLXUHQ-UHFFFAOYSA-N 444.988 4.533 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCC[C@H]1C 1722675260 LQCNLRNHRGEPHP-IBVKSMDESA-N 434.584 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(CN(C)C)c1 1740539180 NRFCDRMNOZURHL-MOPGFXCFSA-N 447.652 4.699 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1740712671 QJTNZOQNZSVNSN-HXUWFJFHSA-N 433.021 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740733604 NVJRGHZNIDYADN-XTBZXYEFSA-N 447.671 4.956 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1740753540 LDNPPICYKXOWGO-FXAWDEMLSA-N 444.366 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1sccc1Br 1740775310 VCOPYOOLLPZMKC-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN(CC)C2CC2)CC1 1740824610 PLVKTRFAJNTRMM-GOSISDBHSA-N 429.996 4.712 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1740848388 JRMIAJCDNBFXIR-AZUAARDMSA-N 430.980 4.616 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740868140 FKQWCHUSXWJNHJ-VQTJNVASSA-N 442.007 4.844 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1CC1=CCCCC1 1740914324 PDEOJVLUANYYJS-UHFFFAOYSA-N 429.568 4.966 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(F)(F)Br 1748774128 UAYAFYKFQMFGMA-UHFFFAOYSA-N 445.720 4.870 30 10 IJEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC1CCC(C(F)(F)F)CC1 1748780856 OCWJWNZTOHRZLC-UHFFFAOYSA-N 427.474 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1Cc1cccs1 1749061431 VCZJRDAASOZCTJ-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(C)s1 1749122498 WVISDZJWYJAAFC-UNMCSNQZSA-N 433.581 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1749146755 MCYOOKJXUWQDMG-NVQXNPDNSA-N 438.616 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1749155750 KCMVAJCMROFENS-DHIUTWEWSA-N 425.621 4.787 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749305813 RWIUFXAEMAIKOX-OYRHEFFESA-N 425.596 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1749336062 XIVKDIZXKXQYIU-LEWJYISDSA-N 440.588 4.570 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1749402995 UIDKJJXMLUOTKX-TZIWHRDSSA-N 430.980 4.760 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Br)cc1 1749421420 SMTWXAJLSMVZJC-UHFFFAOYSA-N 428.378 4.691 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCSC2(CCOCC2)C1 1749437162 DLZHKVWOUOIFLM-UHFFFAOYSA-N 442.629 4.543 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C)C1CC1 1749512280 WXKNGTQTSPRXTM-MRXNPFEDSA-N 445.995 4.914 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1749746056 QIDFNDVIRXQXMA-GOSISDBHSA-N 430.618 4.754 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC2CCCCCC2)CCS1 1751294552 GJEBTSIFGMHZFO-UHFFFAOYSA-N 439.629 4.888 30 10 IJEE Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)sc1C 1751333084 DHHRTFVDTQVKQD-HOCLYGCPSA-N 442.564 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1oc(CCC)nc1C 1760101996 XLUKUXKZMFPFKM-KRWDZBQOSA-N 428.540 4.557 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN1C1CCCCC1 1760120641 NHLXODIPXGYEDC-RDGATRHJSA-N 433.644 4.708 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(F)(F)F 1760163192 OIBPJDNXKYUZAM-OAHLLOKOSA-N 444.885 4.684 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N(C)Cc1ccccc1 1760172821 AATUCOROPBDKRB-PMACEKPBSA-N 447.652 4.721 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)[C@H](C)CC 1760227289 AUHCDFSOSGFYHR-NIYFSFCBSA-N 433.600 4.609 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1760283387 LNIHEIVCKQUYTE-UHFFFAOYSA-N 430.568 4.824 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1cc(Cl)ccn1 1760378393 ISTGVCBCGOXSOT-UHFFFAOYSA-N 432.355 4.911 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](CC(C)C)N(C)C)CC1 1760399592 SAEQZXLRBPFOKJ-JOCHJYFZSA-N 432.616 4.872 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1760406161 UYPQAWUUZDQSKV-UYAOXDASSA-N 428.552 4.604 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1760445652 RDEBINVVYRMPOQ-IBGZPJMESA-N 436.604 4.884 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1csc(-c2ccco2)n1 1760454810 CXNSFQNCDODOLA-OAHLLOKOSA-N 439.516 4.944 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)C[C@@H]1CCCO1 1760560492 WVGZWLUJVONKFS-IBGZPJMESA-N 437.613 4.726 30 10 IJEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCc1ccc(Cl)s1 1760937009 AQCHYMAJYZJPTH-IBGZPJMESA-N 441.988 4.809 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCS1 1761357547 FBWQBZYCBVWPMK-QWHCGFSZSA-N 440.436 4.793 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)CC[C@H]2C)cn1 1766287517 DBIAOODZAQIIST-RTBURBONSA-N 430.556 4.674 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1770580399 IDFQTGAYTYZPCF-SFNKJDCFSA-N 427.618 4.685 30 10 IJEE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772749638 DLBLASHHRUMCKR-UHFFFAOYSA-N 446.576 4.588 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(C)c(C)c1 1861646877 WMIUMRNYHFCABL-RUZDIDTESA-N 438.612 4.886 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 1861888385 ZZQLURIHCGUGCP-QFIPXVFZSA-N 448.954 4.689 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862433686 IXUGPFHDMKURGW-IBGZPJMESA-N 425.868 4.559 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)c1 1862470222 IJEWYSFTXPVSIR-IBGZPJMESA-N 444.325 4.692 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(O)c2)c1 1862489370 AINUBPRAOTWAAL-QFIPXVFZSA-N 433.529 4.892 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCC)cc1 1862505597 DXCABAWXSLAZKI-QFIPXVFZSA-N 441.499 4.538 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccccc2Br)cc1 1862523013 XQHOIFZRQWGOFB-LJQANCHMSA-N 444.325 4.836 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Br)c2)=C(O)C(=O)N1CC(C)C 1862524153 YBSBLFUCAWONNL-LJQANCHMSA-N 428.326 4.992 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCN(C)C)c1 1862543251 BICGVSNLMGYAMP-VWLOTQADSA-N 446.591 4.794 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1Cl 1862562683 LEPFUZYUOYLJFW-LJQANCHMSA-N 449.334 4.579 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Br)cc1 1862566096 NYZRCMZIZYBHEI-IBGZPJMESA-N 443.341 4.800 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862583507 CGRBEPOXIIZEMY-SFHVURJKSA-N 436.291 4.639 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(Cl)cc2)cc1 1862617897 KZHAFDHUDDCPES-HXUWFJFHSA-N 427.928 4.598 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1OC 1862716857 PQJJHBXYEANKTP-QHCPKHFHSA-N 431.488 4.844 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 1862827774 GHYHVDPMHJDISM-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)c2ccc3c(c2)CCCC3)=C(c2ccc(OCC)cc2)C1=O 1863568779 PKWYLJLYXSYUDO-GOSISDBHSA-N 430.548 4.581 30 10 IJEE C=CCN1C(=O)C(NCc2ccc(OC(C)(C)C)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863695540 OKGKCZCZAFWDLK-UHFFFAOYSA-N 448.563 4.707 30 10 IJEE COc1ccc(Cl)cc1C(=O)N[C@@H](C(=O)N[C@@H](C#N)c1ccc(C)cc1)c1ccccc1 1867609699 MXLNRYYWLSNPMC-JTHBVZDNSA-N 447.922 4.509 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868397540 CFTYUGGCONCGMP-HSZRJFAPSA-N 442.542 4.603 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@@H](Oc3ccccc3)C2)nc(-c2cccnc2)n1 1869373875 UCEKHVCBENPGKG-HSZRJFAPSA-N 427.552 4.765 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1870106375 JVSDKGQMHQXUTN-VQHVLOKHSA-N 426.307 4.774 30 10 IJEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871137502 BORHRSXYLPMFCK-UHFFFAOYSA-N 445.563 4.925 30 10 IJEE Cc1c(OC(=O)N2CCOCC2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871362816 IXRRBLVCQKMURU-WQRHYEAKSA-N 434.275 4.749 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1[N+](=O)[O-] 1871363911 WDJPCOGFRSGZAK-JJFYIABZSA-N 448.406 4.635 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3O/C(=C\c3ccc(C)o3)C4=O)CC2)c1 1871397612 CSVXSNPPBGSAER-IWIPYMOSSA-N 444.531 4.849 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871808485 KSFQHVIWSRILEK-IFXJQAMLSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872010727 RFTIKQXPNOUZNK-QFIPXVFZSA-N 428.598 4.968 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cccs1 1872103596 YRMKDWZCHIXAEM-IBGZPJMESA-N 431.583 4.604 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C 1872605171 OEBVZNFBKLSTSR-SFHVURJKSA-N 437.433 4.773 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611695 NEVQPLNRLUFHJL-UHFFFAOYSA-N 431.471 4.629 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OC)c(Cl)c1)n2Cc1ccco1 1873615176 MFCDRMBOJZOLJP-UHFFFAOYSA-N 437.887 4.585 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2c[nH]c3cc(OC)ccc23)cs1 1873747283 GSPNGIOKCQSCCZ-UHFFFAOYSA-N 435.505 4.882 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@H]1c1cccc(OC)c1OC 1873891393 ARPCIRJZRJXCKZ-OFNKIYASSA-N 432.605 4.870 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccncc2)c1 1874309948 WMLRBPHNDBERGO-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OC)cc1OC 1874375532 AYODCATUDADKLX-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874400379 PIYYDBDSQVUTSG-HKNSOBRKSA-N 449.363 4.884 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1c(F)cccc1Cl 1874441851 KRVSDCPQLQICFT-SSDVNMTOSA-N 426.945 4.587 30 10 IJEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874446269 ACPYDAAYAGQNDK-IXOWOOARSA-N 430.574 4.868 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1O 1874451056 QOLOYIGURKNYIW-KCDOPAPYSA-N 444.944 4.672 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c1 1874459222 CCTFCXLVERKPLO-YSURURNPSA-N 440.422 4.628 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874502554 NICJLRWTGSSAGO-YDZHTSKRSA-N 433.493 4.660 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(OCCC)c(OCC)c1 1874516337 RTBNPOXOYBPCKR-OEAKJJBVSA-N 448.589 4.517 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 1874696600 IATIEWZFAUYYKO-XCVCLJGOSA-N 432.428 4.548 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 1875101902 HCUJEMVDONPLHW-XYOKQWHBSA-N 447.443 4.656 30 10 IJEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875149989 RXDWQGGMQWYXGD-MDWZMJQESA-N 430.456 4.858 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C#N)Cc1cc(I)ccc1Cl 1904990204 LANJTKZFGPOPJU-QGZVFWFLSA-N 446.716 4.780 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1976224369 FGHUYBKXGGBZIP-ZFWWWQNUSA-N 446.183 4.518 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@@H]1C#N 1985180973 QYFQSWMOIRAKPL-ISNLERQRSA-N 445.563 4.748 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815225 DLMHACIRALUGPL-SFHVURJKSA-N 429.881 4.782 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)ccc(Cl)c1F 2037655548 ZYTYZOOSALSVTO-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038917812 XICGJLWADYXOEO-IXCJQBJRSA-N 434.624 4.817 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC23CN(C(=O)OC(C)(C)C)C3)c1 2059140201 DYBMYDRZVAXFIX-XMMPIXPASA-N 443.544 4.730 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1F 2079111452 KAELYXWVRAKMJI-AAWXNRKFSA-N 439.272 4.620 30 10 IJEE Cc1c(C(F)(F)F)nn(-c2ccc(C(F)(F)F)c(F)c2)c1I 2079828634 OPQLYYDWFOYQJY-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CCOc1ccc([C@@H](CC)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080106237 VYAKZBRZPMWMQS-MRXNPFEDSA-N 435.309 4.809 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1Nc1cc(Br)cc(F)c1C#N 2107451199 TYTXBXNZICFUKG-VXGBXAGGSA-N 426.330 4.763 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 2159120291 FTCPBZXHQNJXTI-IAGOWNOFSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2cc(Br)ccc2C#N)[C@@H](C(F)(F)F)C1 2163264529 UJOGLTPADNHLCK-OCCSQVGLSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNc1cc(Br)cc(F)c1C#N 2163693418 UOSUVWYTOGWYDG-CYBMUJFWSA-N 438.341 4.909 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2200687801 SJRNSGGMFVZUGS-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE CC[C@@](NC(=O)OC(C)(C)C)([C@H](C#Cc1ccccc1Br)NC)C(F)(F)F 2235723369 KPNPLHABDFZPEA-MAUKXSAKSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2ccccc2Br)C2(CCCC2)C1 2235725476 DBMOKVXNWHIMHO-HKUYNNGSSA-N 434.374 4.589 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C1CC1 2235747487 QJARTJNJRXWLHJ-QUCCMNQESA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2235748282 YCHZAPHNLSEPJG-RBUKOAKNSA-N 433.390 4.711 30 10 IJEE CN(Cc1ccc(I)cc1)c1ccc(C#N)cc1Br 2265599126 MOEPGRFERBUSSR-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CC1(C)OB(c2ccc(F)cc2C(=O)N(Cc2ccccc2)CC2CCCC2)OC1(C)C 2266984081 JNLNDPNCESRRLV-UHFFFAOYSA-N 437.364 4.958 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267112026 APKCOCUXCHYKEW-HDICACEKSA-N 444.381 4.547 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC[C@H]3[C@@H]3CCN(Cc4ccccc4)C3)CCC2)OC1(C)C 2267458529 XXHUORPZTPGWIM-YADHBBJMSA-N 438.421 4.516 30 10 IJEE CC1(C)OB(c2ccccc2NC(=O)N(Cc2ccccc2)Cc2ccco2)OC1(C)C 2267643589 RRDUIBDLLAUIKA-UHFFFAOYSA-N 432.329 4.813 30 10 IJEE C=CCCC1(C(=O)N2CCc3c(Br)cccc32)CN(C(=O)OC(C)(C)C)C1 2281015324 UZIYDQBQGBFECP-UHFFFAOYSA-N 435.362 4.542 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2296216304 JDJAFDLJTHSLKV-ICSRJNTNSA-N 437.422 4.966 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2296218347 CZXKAWCFPPJALU-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C12CC(CCN1C(=O)OC(C)(C)C)C2 2296302213 GBJZSLSHHSKEGZ-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CSCC#CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2299648612 MFWCLVBQRORYPQ-AREMUKBSSA-N 432.541 4.814 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@@H]2C[C@H]1CC21OCCO1 2309250790 MKAIGDODZUECID-AUSJPIAWSA-N 449.345 4.626 30 10 IJEE COc1cc(C=C2SC(=NCc3cc(C)cc(C)c3)NC2=O)cc(Br)c1O 2313511165 RDZAIBVULFAYCW-UHFFFAOYSA-N 447.354 4.540 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c1 2314429637 LGCZPZCTEWKRKO-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCN1C(=O)C(=CC(Cl)=Cc2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 2314926357 HKZMBIWXGYJLDJ-UHFFFAOYSA-N 428.897 4.837 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C2CCCC2)c1OCc1ccccc1F 2321928083 XBTJOBHXWVHEMD-UHFFFAOYSA-N 426.517 4.833 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc([N+](=O)[O-])cc1 2323098029 XVFUMNMEONFYKX-UHFFFAOYSA-N 434.404 4.987 30 10 IJEE COC(=O)COc1c(Br)cc(C=CC(=O)c2ccccc2Cl)cc1OC 2323613139 GFEGUUPXNPKYHM-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cccc(OC)c3)c2)cc1 2325707726 AMGJKWXHSZUJEM-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(C)cc1 2326192526 XQPSMQJJSDHKHB-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2329029866 GNBRVCTXFGUVBH-IBGZPJMESA-N 439.629 4.850 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(F)cc1F 2331706468 VSBUAIOONNGWQG-UHFFFAOYSA-N 440.479 4.503 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2cc(Br)ccc2F)OC1(C)C 2339446990 VQXSQJZJAGEONU-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC1(C)OB(c2cc(Oc3cc(Cl)ccc3Br)ncc2F)OC1(C)C 2345739135 MHROITUBOKALNK-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357064412 WJGLHZPPWKHZBA-GKXKVECMSA-N 447.428 4.802 30 10 IJEE COc1ccc(N/C(=N\C(=O)c2ccc(C(C)(C)C)cc2)NCc2cccnc2)cc1OC 46128387 YBRYAXOTWMNAQG-UHFFFAOYSA-N 446.551 4.794 30 10 IJEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1 59022919 FBLIBHJBHDEHOV-AAQJHNGBSA-N 426.933 4.690 30 10 IJEE CC/N=C1/S/C(=C/c2cc(OC)c(OC(C)C)cc2Br)C(=O)N1CC 59104126 CQJBLGTUFACKAS-RRWWAMBHSA-N 427.364 4.557 30 10 IJEE O=C1/C(=N/Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc2N1Cc1ccccc1F 59146494 BKDRJXLQWRPCGZ-TURZUDJPSA-N 435.327 4.884 30 10 IJEE CC(C)c1nnc([C@H](C)Sc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)o1 59878965 YINIGGLTIJVJCE-YIFSTYHKSA-N 426.333 4.917 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@@H]3c2ccc(C)c(C)c2)cc1OC 98036943 GHIGEHBECLKRGT-VGOFRKELSA-N 445.519 4.708 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 103094882 UQLQICAJUHQNDN-FEYWKWKCSA-N 442.471 4.568 30 10 IJEE O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2Cl)/C1=C(/O)c1cccs1 103096503 RTJQYORUCBOHPM-CRLDLGOSSA-N 438.332 4.656 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 169902973 FCMTXFMHHXAVMS-BUVRLJJBSA-N 444.940 4.630 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2O)c1 169931744 BAPAUODIFSJVID-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(O)cc2)s1 169958734 FXFGAELOEZAAAH-GOSISDBHSA-N 442.443 4.527 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)s1 169961898 ZTCKPGXTQPFZMW-SFHVURJKSA-N 440.908 4.902 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 169963741 UVHWEXLCBHATHG-FQEVSTJZSA-N 425.362 4.592 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170058280 VJKJTISFGTZIER-LAUBAEHRSA-N 437.879 4.844 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 170058850 YDVOVWRBOPOFGD-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2F)cc1 170069761 HKLIRTMRRSQGAI-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)ccc1Cl 170168978 QDPFOUWGBRCDQS-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccccn1 170175049 XJANLENHCAXLTE-QFIPXVFZSA-N 444.487 4.504 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccnc2)cc1 170190084 CRUMHJXMRXUGDD-QHCPKHFHSA-N 444.487 4.667 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1cccs1 170413132 MKBXDUPMURVESC-HXUWFJFHSA-N 439.920 4.928 30 10 IJEE CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2oc(C)c(C)c2C#N)c1=O 170500505 CINJTERFYHANKL-UHFFFAOYSA-N 438.487 4.931 30 10 IJEE CCCCOc1ccc(/C=C2/S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 210551295 PYTWQXQWUPNNQF-TWGQILOBSA-N 440.521 4.806 30 10 IJEE COc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)cc1OCc1ccccc1Cl 252617313 KQHLPEUTWUEJFC-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE COc1cc(C2(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CCCC2)ccc1C 438597703 HVOFGLIQAKQIRV-UHFFFAOYSA-N 433.552 4.589 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(OCCOC)c(OC)c1)c1ccc(F)c(F)c1 476840484 FMQMJEXDJXYSGV-OYHNWAKOSA-N 434.483 4.676 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)cc1 500737985 VQFSDGYHGNTPCR-OAQYLSRUSA-N 445.523 4.802 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 502769544 YVJDNMZYVJGVSY-HXUWFJFHSA-N 437.468 4.612 30 10 IJEE C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 508938065 GISCFFMDTYVEQX-LJQANCHMSA-N 447.587 4.806 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 583219063 PKTFOJKSUNKIDU-HSZRJFAPSA-N 446.526 4.769 30 10 IJEE CCOc1ccc([C@H](O)C[C@H]2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 606657330 OAVODPVNABZKCN-HZPDHXFCSA-N 425.337 4.735 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(F)cccc1Br 698395931 CYEBHIWYGOQDAB-MRXNPFEDSA-N 428.346 4.732 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 728185188 IULOBLJKSZLVJS-UHFFFAOYSA-N 430.869 4.526 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccccc2C)cc1 729668619 LLTOJEXXDOZJKI-UHFFFAOYSA-O 437.541 4.666 30 10 IJEE C[C@H](ON=C(N)c1cccnc1Oc1ccccc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 749790535 DESXAPHWMQMASU-IRXDYDNUSA-N 444.491 4.523 30 10 IJEE COc1cccc(-c2ccc(CNC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2)c1 761709002 CBHHZULUGNSKHQ-RUZDIDTESA-N 427.504 4.517 30 10 IJEE N#Cc1ccsc1C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 771663678 VKRRYBYPYBXTTF-IBGZPJMESA-N 428.460 4.597 30 10 IJEE COc1ccc(CNC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C#N 787134217 ANKJGKAEXUWBBH-UHFFFAOYSA-N 445.306 4.563 30 10 IJEE C#C[C@H](NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C)c1ccc(Cl)cc1 812352956 YRRCZBRWLDZNPS-IBGZPJMESA-N 446.860 4.590 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2ccc(Sc3nc4ccccc4s3)o2)cc1 1084000408 NPJQPEYCRHBIJU-UHFFFAOYSA-N 429.548 4.661 30 10 IJEE CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1125538051 BCARQTRRPAYHDM-UHFFFAOYSA-N 432.451 4.695 30 10 IJEE C#CCN(C(=O)Cc1ccccc1SC)[C@@H]1CCOc2ccc(Br)cc21 1126230272 VMKBFZFXRDHTPE-GOSISDBHSA-N 430.367 4.699 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1128864092 VCCJIOOWYIQFSV-XXBNENTESA-N 444.934 4.658 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)OCc1ccc(OC(F)F)c(Br)c1 1129117931 ASAWNBAHHGYDHO-UHFFFAOYSA-N 443.240 4.981 30 10 IJEE Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1129974304 FKQOUYQMHKZDLE-OAHLLOKOSA-N 430.405 4.893 30 10 IJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1133177695 STCXQCFTGBZYOQ-MRXNPFEDSA-N 439.369 4.549 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 1136630067 FRUZQPGWMYPAQB-HZPDHXFCSA-N 426.344 4.924 30 10 IJEE COc1ccccc1C[C@@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(C)C 1187883408 HTFOHERBFIEPGV-LJQANCHMSA-N 428.579 4.636 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccc(Oc3ccc(Cl)cc3)nc1)C2 1199105652 GCDUWKXLQKCDNR-UHFFFAOYSA-N 425.901 4.633 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)cc1 1211248831 CHGQKICVODUAPX-QFIPXVFZSA-N 445.462 4.763 30 10 IJEE C=CC[C@H](NC(=O)N[C@H](C)CCc1ccc(I)cc1)c1ccncc1 1222021437 IFRNMSMRCXXRMX-BEFAXECRSA-N 449.336 4.624 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1)c1ccc(F)c(F)c1 1226658492 CIFIRKLRSKUJDN-RDJZCZTQSA-N 426.389 4.938 30 10 IJEE C#CCN(C(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C)[C@@H]1CCCc2ccccc21 1230711974 DYTOFWRXOHGTCM-CLJLJLNGSA-N 426.564 4.964 30 10 IJEE C#C[C@@H](NC(=O)NCCc1c(C)[nH]c2ccc(F)cc12)c1ccc(Br)cc1 1252459704 VMPFCNBREMGEEZ-LJQANCHMSA-N 428.305 4.594 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)c1 1264943239 YOUALSRJJAZICU-QFIPXVFZSA-N 426.491 4.783 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 1271944450 IMTXOQCCYJBTSP-UHFFFAOYSA-N 445.563 4.832 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286437555 JETYIMVJHYDJTE-ULQDDVLXSA-N 443.389 4.612 30 10 IJEE C=C(C)Cn1c(N(Cc2ccco2)Cc2ccc(C)s2)nnc1[C@@]1(OCC)CCOC1 1286598611 UKKFSKFQCYZSOR-HSZRJFAPSA-N 442.585 4.676 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)c1cccs1 1286756591 ORSMSDHYCSACKY-XMMPIXPASA-N 447.564 4.748 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCS[C@H](C)[C@H]1C 1286799504 VTOSGJQNGPKPFB-RTBURBONSA-N 426.630 4.954 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(c2ccc(O)cc2)CC1 1286831778 CDKWLSGQGYECBT-OAQYLSRUSA-N 428.602 4.529 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](c2ccc(OC)cc2)C2CCC2)CCCN1C(=O)OC(C)(C)C 1289476211 BFPZGCMWKXPBSA-OFVILXPXSA-N 428.573 4.998 30 10 IJEE C#C[C@@](C)(CC)NC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1298085972 MFHTWNLETUCLIK-MHZLTWQESA-N 430.548 4.566 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCC(F)(F)F 1300558843 DRQRWTZSPZEZKQ-UHFFFAOYSA-N 425.458 4.607 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1Cl 1300643515 KDFYYRSPLKRDFN-IBGZPJMESA-N 443.979 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)C(C)C 1300789443 MGCVRCLXDPOOGM-SIKLNZKXSA-N 445.405 4.679 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)COC 1300790014 FALJZLQOKKRFDX-OAQYLSRUSA-N 449.368 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)C(C)C 1300875800 OLKZMOVJPIOLGL-VQIMIIECSA-N 433.394 4.924 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1301150263 PQNBQNDWCVHWJF-UHFFFAOYSA-N 425.533 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1301158525 IAJLKFUQBRDWBM-IBGZPJMESA-N 436.959 4.787 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 1301165956 NIIQOYNDZGYIHQ-XZOQPEGZSA-N 435.616 4.647 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1301174427 RGKCCPXESVGDIY-DVECYGJZSA-N 428.552 4.920 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCCCn1cc(Br)cn1 1301280849 XVZDZIHFLYDUBA-UHFFFAOYSA-N 449.784 4.660 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCOCC1(C)C)C1CC1 1301317631 VNMITYHOMVEHLV-UHFFFAOYSA-N 437.632 4.508 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)CC 1301360032 UUBQOKAGWJSTSQ-DEOSSOPVSA-N 433.581 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccnc(C(F)(F)F)c1 1301366539 DRIDCVIAQIDLDA-QGZVFWFLSA-N 449.502 4.846 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1301438608 VMKPATXPQXPOEP-IBGZPJMESA-N 437.632 4.806 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301603805 GVBDCNGLVAITMW-UHFFFAOYSA-N 436.629 4.594 30 10 IJEE Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCC(CC#N)CC2)on1 1304900765 GEFIWWMVRZCCON-UHFFFAOYSA-N 448.571 4.629 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1305476328 DBSPHEKMWCTRIB-YADARESESA-N 439.579 4.809 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)[C@@H](C)CC)nc2cc(-c3ccccc3)sc2c1=O 1307274889 XPAJDIPQSOMBQZ-KSSFIOAISA-N 428.579 4.991 30 10 IJEE COc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc(Cl)c1OC 1310213193 GSMJOWTUMCKFJS-UHFFFAOYSA-N 438.871 4.738 30 10 IJEE CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1310247567 BCKNQNDSFHDHBU-URXFXBBRSA-N 439.487 4.520 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)c1 1310257172 PAUYFQUOHAKJQC-HOTGVXAUSA-N 431.458 4.622 30 10 IJEE C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1=O 1310360371 DBIRVPJCJIKBFN-DJJJIMSYSA-N 448.420 4.590 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3c(s2)C[C@@H](CCC)CC3)CCCN1C(=O)OC(C)(C)C 1352374084 QPIXTNSRHIFRRX-QMHKHESXSA-N 431.602 4.780 30 10 IJEE C#CCN(C(=O)Cc1c(C)cc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1353634796 NYOUJVUCGDHCED-OAQYLSRUSA-N 426.354 4.902 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OCCC)c(OCCC)c2)CCCN1C(=O)OC(C)(C)C 1355120992 ZKJOSLBIPFQOEK-RUZDIDTESA-N 444.572 4.996 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccccc2OC2CCCC2)CCCN1C(=O)OC(C)(C)C 1355174936 XZMGHAOANBJQIQ-VWLOTQADSA-N 428.573 4.970 30 10 IJEE Cc1nc(NC(=O)c2cc(-c3ccc(Br)cc3)no2)sc1SCC#N 1357417952 FHPWKESLGGUCQY-UHFFFAOYSA-N 435.328 4.737 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ncc(CC)s1 1358922803 RIYNBCBZVGUDPH-UHFFFAOYSA-N 444.402 4.776 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCSCC(C)C 1358972458 FOXKNWUPOSSVOF-LJQANCHMSA-N 440.682 4.984 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@H](c1ccco1)N1CCCCC1 1358990656 WKPNMVNTPXFJGY-XMMPIXPASA-N 441.579 4.537 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)N1CCCCC1 1359003566 PLOVLIOXQNKHNQ-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1Cc1c(C)nn(C)c1C 1359261933 AOTYIRYXVOWDGO-UHFFFAOYSA-N 448.596 4.606 30 10 IJEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1359305143 UMODMFPGYGVJLV-FUHWJXTLSA-N 448.036 4.541 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1359342517 ZIIWPXUJALMZRI-IBGZPJMESA-N 428.602 4.824 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@H](C)COC 1437605361 FGNTWJXDOXOVMM-MRXNPFEDSA-N 445.357 4.673 30 10 IJEE C#CCCN(CCOC)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 1437997737 GBYQGNCUALFHPF-UHFFFAOYSA-N 434.367 4.560 30 10 IJEE C#CCN(C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)[C@H]1CCCc2ccccc21 1439621552 DMNFWNLHNWNMKT-FQEVSTJZSA-N 430.426 4.950 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@@H]2CCC(F)(F)C2)nnc1-c1ccc(Cl)cc1 1440001043 PJEZDIHZLIJAFF-AWEZNQCLSA-N 440.947 4.818 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C)Cc1ccc(F)c(Cl)c1 1454785729 HJVYNFSMIOLBTN-WMZHIEFXSA-N 436.955 4.709 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1 1456677628 PMGXNBZXWHKRIR-LJQANCHMSA-N 447.645 4.663 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]2c2ccccc2F)nnc1-c1ccc(Cl)cc1 1460807854 JEEQOWBGTQMKLN-PKOBYXMFSA-N 442.947 4.688 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H]2CCC[C@H]2C2CC2)nnc1-c1ccc(Cl)cc1 1460906735 NCYXPXBTCLXHOK-MJGOQNOKSA-N 431.005 4.819 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1461529148 KLPRWSCVYAXJLP-KYMZMDEYSA-N 434.652 4.981 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCOc3cc(Br)c(Cl)cc32)cc1 1463235840 WUZUGQXJRIAFNG-UHFFFAOYSA-N 442.762 4.809 30 10 IJEE COc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(F)c1 1463496783 GRBGRGHVHXMXIR-AWEZNQCLSA-N 428.460 4.552 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc(F)c(F)c1 1465025844 XYMSWUGCGVTSIS-SFHVURJKSA-N 439.256 4.937 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(Sc3ccc(OC)cc3)c(Cl)c2)C1=O 1465429112 KEULQJFYTGFVFF-IBGZPJMESA-N 445.972 4.750 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1466207478 NMAKMCOAGZHJSA-PMACEKPBSA-N 441.572 4.590 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)c1ccc(Cl)cc1 1470662370 HBPCJZBATOJPHY-LJQANCHMSA-N 436.861 4.726 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 1471245293 CVLZHTBLMCUWRY-KRWDZBQOSA-N 440.369 4.858 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1CC(=O)OC 1472934509 DXRASZXCAIPROI-UHFFFAOYSA-N 443.956 4.704 30 10 IJEE C#CCN(C(=O)Nc1cccc(SC(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1476105813 WRNPUXBFZCDKNT-UHFFFAOYSA-N 439.528 4.868 30 10 IJEE C#CCN(C(=O)NCC1(OC)CCC(C)CC1)[C@@H]1CCOc2ccc(Br)cc21 1478578056 LAQZCYIDPKZNKJ-COFLGROHSA-N 449.389 4.513 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1503445618 FRFSAIQKVPCCTN-UHFFFAOYSA-N 434.491 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1507532652 IGHZWCZEMDDRNX-GREBRCKQSA-N 447.583 4.899 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1507557229 IBVLDDAAEXVLBV-IRXDYDNUSA-N 443.389 4.754 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1507575875 ULHNYRAKBYFCHX-XLIONFOSSA-N 430.980 4.736 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCN1C1CCCCC1 1507643497 WEESJWIKJLVJOQ-CLJLJLNGSA-N 443.639 4.690 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1ccnc(C(F)(F)F)c1 1507699197 CVJPXFGKAIHKEG-UHFFFAOYSA-N 445.464 4.817 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1507763562 CZOAAGPJDPNGOD-CXTNQITHSA-N 433.644 4.933 30 10 IJEE C=C(Cn1c(-c2cnccn2)nnc1N(CCC(F)(F)F)CC1CC1)c1ccccc1 1507851954 FBFMQXWHJZVAPL-UHFFFAOYSA-N 428.462 4.617 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2cccc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1507875104 NKYIVCPMMMJQHN-SIKLNZKXSA-N 434.943 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1507919279 NEPPCQCEDRGNLC-UHFFFAOYSA-N 440.567 4.585 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1507923617 AVGUNIBKQANRDU-YLJYHZDGSA-N 433.522 4.588 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1507934377 FFTADKNTKSVMTQ-NRFANRHFSA-N 439.604 4.529 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1507940916 HLQKVHPBEGFSHC-ICSRJNTNSA-N 429.996 4.540 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC(C)(C)CN1CCCC1 1508001397 PHOPXBBLNGODEW-UHFFFAOYSA-N 432.616 4.598 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1nc(C)c(C)s1 1508014791 DSCVHLAQYVEFGB-UHFFFAOYSA-N 447.406 4.530 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508048204 WYPIXFHIJXDPMK-SUMWQHHRSA-N 426.508 4.618 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](C(C)(C)C)C2)cc1 1508106405 WIIROLIOEPAICE-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc(F)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1520048698 SNQIIAYTXHBGPP-IBGZPJMESA-N 428.298 4.839 30 10 IJEE C=CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](Cc1ccccc1)C(=O)OCC 1522168620 ZJCPWXXMHDRALA-LJQANCHMSA-N 438.505 4.612 30 10 IJEE C=CCC(F)(F)C(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 1525308525 REBNKFDEPQARDG-INIZCTEOSA-N 434.346 4.764 30 10 IJEE C=CCC[C@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccc(C(F)(F)F)cc1 1526561923 TXXNFMOHCKYGJE-INIZCTEOSA-N 432.364 4.710 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)nn1-c1cccc(Cl)c1 1529014236 CVXCGXJOZDPTRG-UHFFFAOYSA-N 427.895 4.948 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])c(F)cc1C 1529485950 REEQVFNYTYPQRJ-UHFFFAOYSA-N 425.229 4.772 30 10 IJEE C#CCN(C(=O)CCCOc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1531552920 GXGWYVNKOGEJQZ-FQEVSTJZSA-N 442.353 4.902 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 1531579154 DBQKOIGDAJZEKY-UHFFFAOYSA-N 428.532 4.936 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCCC1 1539351251 QGNHGFNMTSCBJG-UHFFFAOYSA-N 425.646 4.611 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1539402391 BIPIJEBASSNDCL-TZIWHRDSSA-N 445.007 4.526 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC=C)C1CC1 1539498021 PRFSHQVVOWOBTQ-UHFFFAOYSA-N 435.622 4.898 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539731062 XCNIVZJGKYDWBC-VAMGGRTRSA-N 449.640 4.514 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1539843051 XOMXZLIAUCIQAR-UHFFFAOYSA-N 429.446 4.752 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@H]2C[C@H](F)C2)CC1 1539848399 UBNDSKFFGRQBKY-UFYCRDLUSA-N 447.599 4.687 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1539874375 MAWFRCOUEIKUAU-SIKLNZKXSA-N 443.611 4.936 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1539911215 YIALODCQCHOSKC-DEOSSOPVSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(Br)c1 1539912858 UVYMHDDZSDAFBN-UHFFFAOYSA-N 443.393 4.680 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1539983351 XFVWOWDNBNEXFE-INIZCTEOSA-N 433.959 4.513 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1540026335 DAMSOGDNQFIEGD-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1c(CC)noc1C 1540143041 REKXAXBUEKWSDG-UHFFFAOYSA-N 434.569 4.810 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1OCC[C@H]1C 1540147842 XIYNKRNGSWZPOL-DYESRHJHSA-N 426.561 4.687 30 10 IJEE C#CCC1(C(=O)NCc2cc(Cl)c(I)cc2OC)CCCCC1 1540157568 VMALEXUKHPSCAM-UHFFFAOYSA-N 445.728 4.543 30 10 IJEE COC(=O)C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(Cl)cc1 1543598523 BYXMHMPIGOBOMA-QHCPKHFHSA-N 448.906 4.825 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)cc1OC 1544550194 WPFXWLJRUYQCNL-BENRWUELSA-N 449.956 4.747 30 10 IJEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)CC1 1555361779 GAMHJHXHVFMRBC-GOSISDBHSA-N 435.597 4.620 30 10 IJEE C#CCC1(NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CCCCC1 1558513161 DMOHUEBYYTUUMK-UHFFFAOYSA-N 429.314 4.750 30 10 IJEE COc1ccc(CC[C@H]2CCCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC 1559520178 AUXOLTQWIOIHCJ-HXUWFJFHSA-N 441.959 4.655 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1562673244 COWDPBFJHUUUSW-QGZVFWFLSA-N 436.512 4.824 30 10 IJEE C#C[C@H](NC(=O)N(CCC)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1564998127 VCWCHPADDQOTMK-FQEVSTJZSA-N 433.980 4.835 30 10 IJEE CC(C)(C)c1ccc2[nH]c(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2c1 1584356095 CPUKPJTZHLLRLJ-UHFFFAOYSA-N 428.536 4.828 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 1586829272 DHNUCZWFWYWKCL-OAQYLSRUSA-N 448.485 4.846 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C(C)(C)O)c1 1587579047 CIQADDFUBVNTEN-MSOLQXFVSA-N 448.636 4.865 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]2CCC[C@H]21 1587711973 JOFROXTXDCVKOB-SJLPKXTDSA-N 430.394 4.619 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1588446024 WDILHIVMPYZAFU-GBXCKJPGSA-N 436.600 4.595 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCC1CCN(CC)CC1 1589233510 JUZJBCJIQKKNHU-HHHXNRCGSA-N 433.644 4.568 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N(C)OC1CCCC1 1589449494 HMIPDPCHXUUBAM-UHFFFAOYSA-N 435.366 4.639 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 1589503514 DQPWZRJKCINSRF-PZJWPPBQSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CCCOc1ccc(F)cc1 1589528174 CZURGBUNRFDMHL-UGKGYDQZSA-N 428.552 4.571 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](C)O[C@H](COC)C1 1589715964 YNMYLYXZSWPJGT-GJZGRUSLSA-N 432.977 4.629 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1593666798 ZLFUUXVANAULTG-HUUCEWRRSA-N 437.407 4.526 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1593703978 PKUNFARAXOVCBK-RHSMWYFYSA-N 428.886 4.826 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@](C)(OC)CC1 1593932296 GPRKDIPSFIJGNM-NRFANRHFSA-N 437.009 4.727 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C(C)(C)C)cs2)CC1 1594070477 HFNWQRMAMBSKDY-UHFFFAOYSA-N 432.597 4.970 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(OC)CCC2)CC1 1594209354 UZMIJFUPEUWOIK-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1594646354 WCYDMJSGAPZFSV-UHFFFAOYSA-N 445.011 4.858 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccccc1Br 1595814706 MLKFYBADZVVIBV-XJKSGUPXSA-N 445.785 4.532 30 10 IJEE CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OCC2CC2)nc1)C(C)C 1607336530 HVJBVFUBVXMPCK-UHFFFAOYSA-N 444.583 4.920 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CC1CCN(Cc2cccs2)CC1 1611307457 COLRMFGNRNWSCQ-GOSISDBHSA-N 428.650 4.579 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)C1 1618573828 UXOBXHNXYZODJD-ZDUSSCGKSA-N 425.385 4.789 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](c1ccco1)N1CCCCC1 1619380576 CRCQFCQSPSTVCB-CTNGQTDRSA-N 448.571 4.512 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1622871007 ZLKYKJVMLFRQEO-CQSZACIVSA-N 438.450 4.934 30 10 IJEE C=CCN(C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)[C@@H](C)COC 1626256292 VCAWNSSPNFGNDB-LBPRGKRZSA-N 444.372 4.624 30 10 IJEE C=CC[C@H](NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccncc1 1628149489 YMJUZTMVCAARBJ-PZJWPPBQSA-N 438.572 4.929 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CC(=O)OCC)c2ccccc21 1640462870 OGXHKIAWRDGIKG-AZUAARDMSA-N 444.572 4.710 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)c(SC(C)(C)C)c(F)c2)cc1 1641069221 MSAHKCPHNJVIKA-UHFFFAOYSA-N 440.537 4.572 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cc(Br)cs2)n1 1641583628 XGQNRWFNLZIONS-CYBMUJFWSA-N 425.373 4.774 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(F)c(F)c1 1642781550 BAXICMCULQGPKU-NRFANRHFSA-N 431.483 4.997 30 10 IJEE CC(C)N(CCn1c(SCc2ccc(C#N)s2)nc2ccccc2c1=O)C(C)C 1643476254 GQPCJPSUOVVKFF-UHFFFAOYSA-N 426.611 4.741 30 10 IJEE C=CCn1c(SCc2c(F)cc([N+](=O)[O-])cc2F)nc2sc3c(c2c1=O)CCC3 1651629388 MWTBCCVCSXASNH-UHFFFAOYSA-N 435.477 4.611 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C\C(=O)OC)cc2)nnc1-c1cccs1 1651856125 BBYHXHRLSLENME-FLIBITNWSA-N 427.551 4.550 30 10 IJEE COc1cccc(C2CCN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)CC2)c1 1653299680 HCZIQWHXSQSXPW-KRWDZBQOSA-N 437.609 4.961 30 10 IJEE C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 1653664367 DSNRGKOULUVYAY-MWTRTKDXSA-N 448.995 4.603 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1csc(CCc2ccccc2)n1 1656705420 JOPRADDGZLANJV-UHFFFAOYSA-N 441.394 4.993 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 1661951661 NQGCZLXVQOEHTD-UHFFFAOYSA-N 431.435 4.962 30 10 IJEE CN(CCC#N)S(=O)(=O)N[C@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 1662975878 DUPXZGWQPHZVCC-HSZRJFAPSA-N 427.570 4.780 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(/C=C\c2ccco2)s1)c1ccc(Br)cc1 1663571679 YYXIUXJPGOMIEQ-KVPUOBJLSA-N 429.299 4.560 30 10 IJEE C=CC[C@H]1CCCN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)C1 1664939266 ZDOXMPCROPQGGK-ZDUSSCGKSA-N 427.389 4.549 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1 1668306539 CVOCBTAFIFQMEB-OAQYLSRUSA-N 425.598 4.589 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccc(C(=O)OC)cc1Br)c1ccccc1 1670775307 MBTADXAFUAKEFX-IBGZPJMESA-N 431.330 4.742 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 1678356074 KNFNPTGSDIZFFC-HNNXBMFYSA-N 439.350 4.600 30 10 IJEE CC(C)(CNC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1Cl 1684475330 FWXPTMYKFRBOMW-UHFFFAOYSA-N 428.939 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1689829474 YVGCIBKRUQGDRP-ZVVDCOBXSA-N 442.579 4.856 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1690059606 TUVDRHJWNRAKCH-INIZCTEOSA-N 441.576 4.819 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCOC1CCCCCC1 1690090093 WEBTTYCSGJHPAT-UHFFFAOYSA-N 447.558 4.858 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCc2sccc2[C@H]1CC 1690177200 MYKVEGXJTYQQCC-HXUWFJFHSA-N 440.613 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC(C)(C)COC 1690214244 BPQYIPJJPSLKRP-UMEGOILYSA-N 430.637 4.642 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCSC(C)(C)C1 1690309545 CZKSLAGIFZSZLM-UHFFFAOYSA-N 439.585 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)C2CC2)CC1 1690426573 SGZQZYQCJWZRTH-UHFFFAOYSA-N 442.007 4.696 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1690467451 XCEAVLPZOGGOGQ-UHFFFAOYSA-N 439.604 4.748 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnccc1OC 1690575899 FMYDWYILEUGQGM-UHFFFAOYSA-N 442.548 4.523 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CC(C)(C)C2)cc1 1696140495 GYHQPMGDJOGLGO-OSPHWJPCSA-N 441.551 4.695 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccsc1Br 1705489017 IVTLAGWJTMCLMV-CYBMUJFWSA-N 440.370 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCOC(C)(C)C 1705695334 IFHVLKGFLMHQRM-VXKWHMMOSA-N 426.605 4.740 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1705765516 PWEWRUSLGOLXFY-UHFFFAOYSA-N 442.951 4.501 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)Cc1ccco1 1705791411 VVILCPNURUTWEE-NRFANRHFSA-N 433.556 4.631 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705800583 BZOXSHKJMZHZOJ-QZTJIDSGSA-N 432.012 4.882 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1705845115 GXVUSLLCKPQBDQ-UHFFFAOYSA-N 432.977 4.662 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@@H]1C 1705877449 HNMXFXOKUZRGTB-KXBFYZLASA-N 426.362 4.852 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc(NC(C)=O)cc1 1705880075 TZTXGOPQGHFELR-UHFFFAOYSA-N 435.572 4.702 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(C)(F)F)C1 1705915357 JXJKPRQIVWCLKM-RTBURBONSA-N 434.531 4.862 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1Cc2cccc(Br)c2C1 1705945112 ZTWCMIYDUMVCAV-UHFFFAOYSA-N 442.386 4.542 30 10 IJEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)CCO1 1709551165 BHSVUSYFPOSHHC-PMACEKPBSA-N 429.515 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722282785 RNRSCTOTXDQLSW-ZVZYQTTQSA-N 435.450 4.680 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](c2ccco2)C1 1722311603 YOKTZFTXADPTEV-GOSISDBHSA-N 426.467 4.937 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(Cc1cccs1)C1CC1 1722324907 ARXOSBDIFGIYIM-UHFFFAOYSA-N 444.402 4.690 30 10 IJEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1722334992 NXCJMFLJHUQBEP-NRFANRHFSA-N 449.624 4.748 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN(C)C1CCCCC1 1722347400 YVRMGVUCFSHNBS-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722376131 WGYRIIKVKFTBHW-DHIUTWEWSA-N 432.612 4.810 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C(C)(C)O)cc1 1722405564 ORJHSDDESGEHJS-SFHVURJKSA-N 448.636 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCc1ccc(Br)s1 1722515069 NVVBIFMWTUFFIA-UHFFFAOYSA-N 446.418 4.733 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCCN(C2CCCC2)CC1 1722521554 URJZLFZYNQBDMI-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1722565953 GFCRFQLGGVODHB-IEBWSBKVSA-N 449.368 4.802 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1722596229 FMWSZWYJBBAAPO-VWNXMTODSA-N 445.611 4.875 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccco1 1722626471 FAZPBVHZKGXPEN-SFHLNBCPSA-N 428.577 4.724 30 10 IJEE C=CCCOCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(Cl)c1 1722627932 UCGBETLWTBIZFI-KRWDZBQOSA-N 434.878 4.711 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1722664272 VFQMRZJCGPKCEI-QGZVFWFLSA-N 433.622 4.740 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cc(F)c(F)c1F 1722666730 RZXKORXZCURIEU-UHFFFAOYSA-N 437.828 4.777 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@H](F)C1 1722673903 JCCVFVIHKLYSEB-MSOLQXFVSA-N 429.565 4.600 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)OC 1740648984 VUKHAIJKROZZKS-UHFFFAOYSA-N 436.556 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@@H]1C(C)C 1740663385 IDIWWGUNRCTMCC-RCZVLFRGSA-N 445.611 4.873 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740766059 BJKCONZCEGUPJC-GFTAFNIFSA-N 442.579 4.901 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740845587 UXJZCOIDYNKPLE-QHCPKHFHSA-N 448.615 4.520 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1740872791 WEBCTFPABCWFBF-INIZCTEOSA-N 431.968 4.668 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC=C(C(C)(C)C)CC1 1740882674 UGEZUBJJKBDAAX-UHFFFAOYSA-N 440.588 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCOc1c(C)cccc1C 1740921744 GZNKFDBZDCNZHW-UHFFFAOYSA-N 448.596 4.629 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCCS1 1741960454 CSDCSKYAWZAONS-WGGBDISSSA-N 443.592 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1748656163 NCZUKCDMJLZPDG-XIRDDKMYSA-N 436.478 4.714 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOC)CCC1 1748833228 MWYZBVJUEOLOCZ-UHFFFAOYSA-N 436.625 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CCCCC1 1749135124 CRDYYUMXJHDRSF-RDPSFJRHSA-N 442.579 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CC(C)C)CC1 1749146453 DSNGHLUSSMUAOC-UHFFFAOYSA-N 430.618 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCN1C1CC1 1749147133 AKJYJKNRRUPJBZ-HXUWFJFHSA-N 445.558 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1OCC[C@H]1C 1749165237 ABALDEMXHGVXQW-DENIHFKCSA-N 426.605 4.982 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](CC)C1 1749203669 HYNKHSSQUMTZAB-HOCLYGCPSA-N 425.360 4.744 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@H]1C 1749375585 DTQATQNPBLQYIE-MSOLQXFVSA-N 430.618 4.798 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1749417554 KRDVZYLHFLKEQI-QGZVFWFLSA-N 447.986 4.837 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1nccn1C(F)F 1749537198 BSPMCLQJTOXUQG-UHFFFAOYSA-N 440.523 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1ncc(CC)s1 1749553536 RLPFITSHXNCBDD-GOSISDBHSA-N 429.615 4.645 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1749760648 KIUPOGMTNDSQRP-NRFANRHFSA-N 446.686 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(C)C1 1760315859 JTKNRGZMBQJWDA-DXIQSLLYSA-N 426.536 4.695 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)C/C(C)=C\c1ccccc1 1760317932 BGJRIQJTFVRQOO-RVBGSVQLSA-N 429.568 4.861 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1760372907 AJEWDVAPPMKUJA-HXUWFJFHSA-N 443.039 4.882 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760376620 XIUIHUZYGBZYOT-MAUKXSAKSA-N 429.754 4.781 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1scnc1C)c1ccccc1 1760417559 FKMWPRGZYDNLGY-RTWAWAEBSA-N 437.613 4.933 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1CCC 1760456864 YYEJZLGVVQKLRH-FCHUYYIVSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1760467946 BTFFYBHCZWATQS-JOCHJYFZSA-N 447.004 4.964 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1CCCCO1)C1CC1 1760471319 RZMQNBWWPICBOW-SFHVURJKSA-N 448.409 4.550 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@](C)(C#N)C1 1760561205 TWSGAPSONVFSQO-OAQYLSRUSA-N 433.528 4.596 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(C#N)C1 1760569439 OOMNCDHPGUSMHM-QHCPKHFHSA-N 425.602 4.523 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)(F)F)CC1 1770565834 AHRVDXKCMIHJHF-UHFFFAOYSA-N 435.494 4.801 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccncc4)nc3c2)c(C#N)c1C 1859736257 SUSOBVHTQAZCIF-UHFFFAOYSA-N 432.461 4.560 30 10 IJEE CCCCOc1ccc(N[C@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)cc1 1860592006 MKCKMWNFPUGWLY-RUZDIDTESA-N 438.568 4.553 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc([N+](=O)[O-])c1 1861023057 LGYYTQUAZYPHMF-QFIPXVFZSA-N 443.519 4.552 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 1861175207 YWHRBYFGNSBVQD-IBGZPJMESA-N 436.040 4.533 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)COc1c(C)ccc(C)c1C 1861665853 VNYDXHMGUZNKRK-NRFANRHFSA-N 436.662 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)cc1C 1862403585 ZTBUQCKQYLHELI-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1F 1862416079 CGRGEBLBIURKSP-OAQYLSRUSA-N 443.446 4.677 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862449136 DDONCAZHKMYESN-NRFANRHFSA-N 441.911 4.880 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC)cc1 1862462055 SXWAIFSBIAAPMZ-HXUWFJFHSA-N 433.426 4.881 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1F)c1c(F)cc(F)cc1F 1862463513 IDLAMWNEMCHTJZ-IBGZPJMESA-N 449.331 4.754 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862557619 KWOZYHZPNJFVEA-QRQCRPRQSA-N 443.459 4.517 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 1862616258 PNYSEQYZECFLNE-IRLDBZIGSA-N 437.511 4.881 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 1862714555 CWIISPWNEXDWLM-XMMPIXPASA-N 446.522 4.899 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863031085 VPNDQDQPCVRGSY-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3cccnc3)C2=O)c1 1863284339 MIJACYQGAJXUQL-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccs3)C2=O)cc1 1863355089 KGSOJVFIOXNNFZ-UHFFFAOYSA-N 443.528 4.799 30 10 IJEE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866780674 GEYWRGJWNPRTGV-ZEQRLZLVSA-N 429.495 4.753 30 10 IJEE C[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(C#N)cc1)C1CCCC1 1867020759 FYWUTZRNEBWKPK-MBSDFSHPSA-N 435.593 4.741 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 1870105887 MGLMMNDFIHBAEN-UHFFFAOYSA-N 445.567 4.856 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCCC1 1870532222 KFYBNEGBJIUIQZ-QFIPXVFZSA-N 447.664 4.878 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1ccccc1C 1870902005 XHLJALAZPWACGU-UHFFFAOYSA-N 432.520 4.502 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1cc(C)ccc1C 1871190920 OGXVYQIUFAXDGM-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1ccc(C)cc1C 1871191088 RJPOIEOICJOWPY-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CNc1ccc(F)cc1 1871204861 RODAVYVWYAWHRJ-UHFFFAOYSA-N 446.478 4.779 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccn2)C3=O)c(OCC)c1 1871386579 CKUNLXFZROPPCT-QRVIBDJDSA-N 431.444 4.714 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)ccc3C2=O)cc1 1871390245 MGYNREOAAYJPDO-CFRMEGHHSA-N 444.439 4.846 30 10 IJEE Cc1cc(O)c(CN2CCC[C@@H](CO)C2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871398406 HRQOEASOCGAPEG-AYBNGVQBSA-N 435.564 4.819 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 1871420673 JDVJKOPVACDYEJ-JJFYIABZSA-N 444.443 4.845 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)c2ccccc21 1871459982 ONVVFEIFFQJPDM-MSXFZWOLSA-N 442.446 4.951 30 10 IJEE N#Cc1c(NC(=O)COc2ccc3cc(-c4ccccc4)c(=O)oc3c2)sc2c1CCC2 1871461254 CQGLQRRXIIEHMU-UHFFFAOYSA-N 442.496 4.899 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(CCCC)cc2)[nH]c(N(CC)CCO)n1 1871501558 GBZAKVBTFGEAJC-UHFFFAOYSA-N 442.652 4.971 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCC 1871800005 YQZSUTVEYQQBEC-KDOFPFPSSA-N 435.417 4.965 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(OCC)cc1 1871972175 DZRQXERFWJYOIT-QFIPXVFZSA-N 448.560 4.599 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCC 1872359832 GNKQOQWFMUPZIR-GOSISDBHSA-N 434.524 4.821 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872513198 KZFWLQLBELQFQV-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c(OC)c1OC 1872789087 XWYQSGHCEFQRDB-SFHVURJKSA-N 436.533 4.872 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(C(=O)OCC)c3)c(=O)oc2c1C 1873950901 GEZWOMPACYQJAB-UHFFFAOYSA-N 449.503 4.723 30 10 IJEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(O)c(O)c1 1874243421 FFPIYNYPJPQDFH-DHRITJCHSA-N 438.597 4.999 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)OC)cc1 1874264498 ALJHAXCCDZTANS-YDZHTSKRSA-N 444.944 4.681 30 10 IJEE COc1cccc(CCc2nnc(SCCCO)n2/N=C/c2cccc3ccccc23)c1 1874312267 KYEODFOHEXUIER-NLRVBDNBSA-N 446.576 4.582 30 10 IJEE CCOc1c(/C=N/n2c(CCCOc3ccccc3)nnc2SCC)cccc1OC 1874316915 PZALBAZGBPMUQJ-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(C)c1 1874391843 VGBLTYNXCDWYMA-PTFSYIGCSA-N 435.597 4.581 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 1874417185 CRFVODOPCLCYGT-CVKSISIWSA-N 446.507 4.881 30 10 IJEE CCc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCc2cccc3ccccc23)cc1 1874434778 WSLJHZXSULOUPW-JFLMPSFJSA-N 443.576 4.804 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc(OC)c1O 1874517474 VQSHFEVAQIOPRY-FOKLQQMPSA-N 446.960 4.952 30 10 IJEE C=CCSc1nnc(C)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874533593 RBCRMLMLTBBAMH-YDZHTSKRSA-N 428.945 4.988 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cccc(OC)c2OCC(=O)OCC(C)C)cc1C 1874591500 OCGNBENGSTVLGH-ZHACJKMWSA-N 426.509 4.795 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)NCc1ccco1 1874618211 PIQMPWOIYHSXSO-MDZDMXLPSA-N 449.503 4.505 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(NC(C)=O)cc2)CSc2nnc(C)n21 1874820894 IWKTYJVFMVTIRL-HXUWFJFHSA-N 429.590 4.607 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875158504 ZALORLDPIKVHEX-WUXMJOGZSA-N 435.407 4.787 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3OC(F)(F)F)ccc21 1890684910 XGPLIABSTRDFEZ-UHFFFAOYSA-N 434.414 4.775 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC(C#N)(N(Cc3ccccc3)C(=O)OC(C)(C)C)C[C@@H]2C1 1953231512 SAIBQPWKZPEWDO-WOJBJXKFSA-N 441.572 4.963 30 10 IJEE CC(C)[C@@H]1[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CCN1C(=O)OC(C)(C)C 1962927208 APSGBHPAEARJBO-DOTOQJQBSA-N 436.350 4.541 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1997233351 KMNJFHBQHQZNKX-HRAATJIYSA-N 436.557 4.853 30 10 IJEE C=CC[C@@H](CNC(=O)OC(C)(C)C)COc1nc(Cl)nc(Cl)c1Br 2023595475 BCBNQNKPOBORLJ-VIFPVBQESA-N 441.153 4.642 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)ccc(Br)c1F 2102882275 KUVSIINQJOVEAK-MAUKXSAKSA-N 427.358 4.854 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2110509570 KOFLKXYLNBYPCD-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)ccc2C#N)Cc2ccccc21 2174769546 ZOZGRPFYVRYFNY-GOSISDBHSA-N 428.330 4.907 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181135684 RJYCMFZHKAVXPY-CXAGYDPISA-N 436.350 4.685 30 10 IJEE CC[C@@]1(C(=O)Nc2ccc(Br)cc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2181140753 DSACGIQRGFQAHB-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)Nc2cc(Br)ccc2C#N)CC1 2205403630 YCJBUMWQSCFXSQ-SAZUREKKSA-N 436.350 4.733 30 10 IJEE CCCN[C@H](C#Cc1ccc(C)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223323555 BJZHUBSNIKREIW-JWQCQUIFSA-N 436.596 4.825 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1ccc(I)cc1 2235716967 AFKGCFMUEMZPJV-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 2235730921 PNYXCZPLLFXBJW-CMKODMSKSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@@H](O)C#Cc1ccccc1Br 2235741308 SUVFKKVLGGAMRQ-UXHICEINSA-N 428.326 4.528 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237417419 QZBCKJJIMPDQOX-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](CC#N)C1 2243925200 RVPXDMWDGFQFLF-UQBPGWFLSA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(C#N)(N(C(=O)OC(C)(C)C)C1CCC1)C2 2244164978 JKFITCITUJGSLT-IAGOWNOFSA-N 437.606 4.553 30 10 IJEE N#Cc1cccc(Br)c1NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2248980049 WUFOVHSIWFUZGT-NCYVPVAZSA-N 426.314 4.580 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2261828414 LDWRZDKLSBZFAM-CJFMBICVSA-N 447.572 4.704 30 10 IJEE C[C@H]1[C@H](C(F)(F)F)N(c2c(Br)cccc2C#N)CCN1C(=O)OC(C)(C)C 2285225620 BWULOFTURSDBID-XHDPSFHLSA-N 448.283 4.697 30 10 IJEE C=CC[C@@]1(COc2nc(C)nc(C)c2Br)CCCCN1C(=O)OC(C)(C)C 2287688923 SYMPOILOTXAWNT-FQEVSTJZSA-N 440.382 4.971 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C#Cc1cccc(Br)c1 2296222501 SJTYPMHLVRXYDN-AVRDEDQJSA-N 436.390 4.835 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2296230746 WPUOYJFMMKMNKO-VAMGGRTRSA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)C#Cc1ccc(Br)cc1)c1ccccc1 2296286842 OYZVICJPUBHWET-IBGZPJMESA-N 428.326 4.678 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](N)C#Cc3ccc(Br)cc3)C[C@H]21 2296289399 RHEFSWSDKQCVMN-QGZVKYPTSA-N 433.390 4.554 30 10 IJEE C=CCOc1ccc(C=C2N=C(c3cccc(Br)c3)OC2=O)c(OCC=C)c1 2297455709 GGZTVOZCPFGKDD-UHFFFAOYSA-N 440.293 4.923 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2298486715 GNHHHDSBXATJRK-WSOZGMELSA-N 434.541 4.509 30 10 IJEE COC(=O)c1ccc(C=C2SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc1 2314539818 BMTCBHNPPNEQQR-UHFFFAOYSA-N 429.501 4.985 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)C1 2321283939 AIOFEMBDZGOJSR-YADARESESA-N 445.560 4.655 30 10 IJEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2OC)C4)cc1 2321993681 YYSHZQFUHPCISH-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(OC)cc1)C3=O 2322122767 QSPSWFQNKGDFTH-UHFFFAOYSA-N 436.552 4.585 30 10 IJEE CCN1CCN(Cc2c(O)ccc3c2OC(=Cc2ccc(-c4ccccc4)cc2)C3=O)CC1 2324124244 JQKVFDSGHCSLMN-UHFFFAOYSA-N 440.543 4.813 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c(C)c1C 2324293713 OQSGLQCMLDRMPD-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccccc1OC(C)C 2328371835 XHVOOTWPAZAPPV-UHFFFAOYSA-N 426.542 4.647 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)c1 2328618137 MXKXNMBVSOXJQZ-UHFFFAOYSA-N 435.528 4.714 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)c(O)c1 2330184914 PNHKUUHVYRPVLV-UHFFFAOYSA-N 448.523 4.788 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)ccc1Cl 2330961449 VUAFHYJQWFTECV-SFHVURJKSA-N 443.916 4.866 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)COC 2331007330 GFPUUDPVBVIZKH-UHFFFAOYSA-N 445.309 4.634 30 10 IJEE C(=Nn1c(SCCc2ccccc2)nnc1C1CCCC1)c1ccc2c(c1)OCCO2 2331079556 ZBDBJARIXZHDTF-UHFFFAOYSA-N 434.565 4.924 30 10 IJEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)ccc1O 2331443812 YNKKAHKODLGWAK-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2)c1 2331481012 UEOPUGKSUHKTAO-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](C#N)c1cnn(CC(F)F)c1 2369058476 IPAIDHRWYQDSCE-OAHLLOKOSA-N 441.276 4.917 30 10 IJEE COC(=O)c1ccc(/N=C2/S/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)N2C)cc1 33293868 UGQSOSHHDWXVKT-CPGPLWFVSA-N 437.304 4.719 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)COc1cccc(C)c1C 40844649 LSKUHURVURHENW-UHFFFAOYSA-N 442.467 4.759 30 10 IJEE COc1cccc(/C(C)=N\Nc2nc(SCC(=O)Nc3cccc4ccccc34)n[nH]2)c1 59039509 CMPVCSITCLQJOI-YSMPRRRNSA-N 446.536 4.533 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 62889304 AWDXUBXCKYWYGT-UHFFFAOYSA-N 445.504 4.732 30 10 IJEE COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)/C(=N/c2cc(Cl)cc(Cl)c2)S1 100294624 JEXXJCRWQDZMFA-VFOOBRQFSA-N 438.336 4.592 30 10 IJEE CCc1ccc(S(=O)(=O)/N=C2\C=C(Nc3cccc(C)c3)C(=O)c3ccccc32)cc1 103721029 GMQDPAMGZPULCI-SLEBQGDGSA-N 430.529 4.928 30 10 IJEE CN1CCN([C@H]2/C(=N/C(C)(C)C)N(c3cccc(C(F)(F)F)c3)C(=S)C2(C)C)CC1 105421804 KKRCCNUGBWABHE-NGOJKJPPSA-N 440.579 4.692 30 10 IJEE CCOc1cc(/C=N\Nc2nc(C)cc(=O)[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 169887625 DHQQTQWQBHTPQN-MYKKPKGFSA-N 447.322 4.809 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922683 AJRJKITZORIZLC-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922895 MUMCGCORQUPGHE-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC)cc1 170033053 FWZKZJYEUVBRHR-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170044001 JBVBTPVNHNCHHR-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)s1 170059000 AUVHKAOAQPPKAU-GOSISDBHSA-N 439.924 4.587 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2c[nH]c3ccccc23)c1 170076040 CHUKGOUUYUDJGV-GAJHUEQPSA-N 430.504 4.542 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)c(C)c1 170076569 DPMJYPXMRBLRQC-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1 170130363 FWIOJWBKDRIYNC-OAQYLSRUSA-N 435.501 4.549 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccn2)cc1C 170182546 WNPIZGZHBNMRKT-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)cc1C 170203503 RLWHGPDVOLUYLC-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)cc1C 170239386 XIFQJPJMPFJGNL-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1C 170269966 VICDDXYKEPRNJD-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccco2)cc1 170291228 ZUHPZWGXAAVXDR-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(C)o2)cc1 170301097 OZMPJIYLZHILNI-JOCHJYFZSA-N 433.460 4.865 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)cc1OC 170303760 QIXQLRXEAPRQOX-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170304626 OKIQCTYYYAQFCN-WNSKOXEYSA-N 445.471 4.708 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)[C@H]1c1cccc(O)c1)c1ccncc1 170386341 MBEYXFCOZGFVJO-IBGZPJMESA-N 441.270 4.877 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccccc2OC)ccc1OC 170440969 HJGXVVPWYIUVHN-NRFANRHFSA-N 439.508 4.618 30 10 IJEE COc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(Cc3ccco3)C1=O)OCO2 239038415 DDHJLFHPQQLAAL-UHFFFAOYSA-N 434.473 4.821 30 10 IJEE Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1C=NNc1nc2ccccc2s1 254349017 KAOIBWBJUZIVQV-UHFFFAOYSA-N 427.537 4.847 30 10 IJEE CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3cccnc3)=C2N2CCOCC2)cc1 263631241 IFUPFELSZJZFLF-AYQPEJKVSA-N 443.595 4.796 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 508475373 YXELDYWXTMEVRL-VQTJNVASSA-N 434.540 4.556 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 508992469 AGBZJSXJKSIQPA-DNVCBOLYSA-N 430.961 4.897 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccco2)c1OC 526521083 KADJAZQPURUYKJ-HXUWFJFHSA-N 436.851 4.879 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OC(C)(C)C)cc1 526828477 FQPRNVSQIJJSAV-XKZIYDEJSA-N 425.514 4.847 30 10 IJEE Cc1c(C(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)sc2ccc(C#N)cc12 550844041 GKURNCSTLHIPKY-SSEXGKCCSA-N 438.574 4.761 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N(C)c3ccccc3)CC2)c1 586087414 LTMZTHBKZXVWKF-UHFFFAOYSA-N 434.584 4.975 30 10 IJEE C=CCN(Cc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586179992 LHQNQMZSIKHAMJ-UHFFFAOYSA-N 429.582 4.973 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c(F)c1 609252959 XXLDTDUDLYJHRI-UHFFFAOYSA-N 428.895 4.735 30 10 IJEE C#CC[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1)c1ccccc1 757014885 BPVBGNJMONNPKZ-SANMLTNESA-N 435.531 4.557 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 780776749 GPGRWSPPQDXJAP-YADARESESA-N 437.565 4.550 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccsc1 790722685 DEQYSNZMCUAROV-HXUWFJFHSA-N 433.558 4.885 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1cc(Cl)cc(Cl)c1 811038225 CHFPKWMEYAQTNK-UHFFFAOYSA-N 437.226 4.820 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 812180316 HQKJBURDAZIDBT-QGZVFWFLSA-N 435.528 4.885 30 10 IJEE CC(=NNc1ccc(C(F)(F)F)nn1)c1ccc(Br)cc1Br 814888156 REXHPFXUZMFXBY-UHFFFAOYSA-N 438.045 4.857 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)SC1=Nc1cccc(C(F)(F)F)c1 1084286195 KDKKEJAUBCCROG-MRXNPFEDSA-N 439.434 4.825 30 10 IJEE C#CCOc1ccc(C(=O)Nc2nc(Cc3ccccc3Br)cs2)cc1 1127387914 DMNKNKXLKUJCMW-UHFFFAOYSA-N 427.323 4.761 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1128737138 DOZGUHYKGNRLJE-VFNWGFHPSA-N 440.462 4.555 30 10 IJEE C#C[C@H](NC(=O)CCc1cc(F)ccc1Br)c1ccc(Br)cc1 1129608285 CMLYMIJRSJJECD-KRWDZBQOSA-N 439.122 4.774 30 10 IJEE Cn1ccnc1[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)cc1F 1134668857 CUADRCGGBYTHPG-HSZRJFAPSA-N 444.441 4.882 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 1141500284 CSIYGRMRRONQTN-QGZVFWFLSA-N 436.339 4.892 30 10 IJEE C=CCOc1ccc(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)cc1OC 1141733883 VYXHTPSMMBAEFF-UHFFFAOYSA-N 431.488 4.547 30 10 IJEE CN(C)c1ncnc2c1cc(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)n2C 1142006745 FUMSRNZZWAANHC-UHFFFAOYSA-N 446.898 4.604 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(F)F 1144506492 WQHBEKIZUUZEIP-HXUWFJFHSA-N 448.897 4.760 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 1171266021 DASIVVCYELHREU-IXDOHACOSA-N 445.629 4.515 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCCc3cccc(-c4ccccc4)c3)ccc2c1=O 1184051130 QOKLODIQBYAVFZ-UHFFFAOYSA-N 441.556 4.511 30 10 IJEE CCOc1cc(Cl)ccc1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1197701529 HVWQKJCWSXYRKZ-UHFFFAOYSA-N 426.929 4.979 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(C)c(C(=O)N(C)C(C)C)c1 1202175998 HFMAJKJAMLNVOQ-UHFFFAOYSA-N 429.358 4.862 30 10 IJEE C=CCOc1ccc(CNC[C@H](CO)Cc2cc(Br)ccc2F)cc1Cl 1202445163 QBWPZLTWXCPFLR-OAHLLOKOSA-N 442.756 4.747 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1)c1ccccc1 1203468232 SWYAVJWZQFVLJE-XMMPIXPASA-N 434.584 4.570 30 10 IJEE COCCN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F 1215105835 BKPYYQFKDHPYFJ-UHFFFAOYSA-N 427.810 4.633 30 10 IJEE C#CCOc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 1265133515 PDELVTLLECKWMN-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE C#CCO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1Br)CCC2 1271573386 ICJPMYNJLHJFNP-ZDUSSCGKSA-N 446.366 4.516 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 1275389185 GMYFCMHSCWFPCM-IYBDPMFKSA-N 445.357 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CCOC)CCCCC1 1286306585 VSHQRVUOCWWOSB-PWRODBHTSA-N 430.637 4.642 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)Cc1cccs1 1286368966 XBRNMQIUKOAJNP-CYBMUJFWSA-N 435.416 4.779 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCCOCC 1286518087 PRPYBVXUDNSAJC-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCCCCCCN1CCCC1 1286525946 NBLKMQHQCIMJSG-WIOPSUGQSA-N 427.637 4.558 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1cccc(C)c1 1286535727 FUECILALJCWICU-GOSISDBHSA-N 426.362 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)C(C)C 1286565145 AWYSJGHMHCDCCS-CQSZACIVSA-N 427.412 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(F)(F)F)cs1 1286566877 PMSQWVBXMVODTO-UHFFFAOYSA-N 446.502 4.937 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1286647694 KNJFCOBXPZJSEA-QFIPXVFZSA-N 425.621 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ncc(CC)s1 1286665962 AXOBDHRYAGLDOD-UHFFFAOYSA-N 439.585 4.931 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc2ccccc2o1 1286678525 YSPULMDARGQISU-UGKGYDQZSA-N 438.572 4.987 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1286737460 MZBKWYWXXHWOLJ-GOSISDBHSA-N 438.906 4.978 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286763355 IBMFWYCWIXORJO-LADGPHEKSA-N 443.551 4.626 30 10 IJEE C=CCn1c(N2CCC(c3ccsc3)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286778141 RUFNFTPQKCYMPS-KDURUIRLSA-N 443.617 4.680 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCc2ccccc2C(F)(F)F)C1 1286810359 PUIFKTCXZNQHMG-LJQANCHMSA-N 434.506 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C1CCCCC1)N(C)C 1300277284 YZYQVAKVQJNURE-LAUBAEHRSA-N 445.558 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCC[C@H]1C 1300286886 PBQQVUGJMGGFLG-DLBZAZTESA-N 434.415 4.974 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCO[C@H]2C(C)C)c1 1300373673 BWFUBUBCFFNQAQ-UWDQQESISA-N 437.588 4.535 30 10 IJEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1300432124 COIJFTUUCKCSIE-AEFFLSMTSA-N 433.478 4.510 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCCC=C)CC1 1300691198 ZPJOAJSOQPNYTN-UHFFFAOYSA-N 435.572 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](SC)C(C)(C)C 1300816399 NMXIEIQJDKPQTB-AUSIDOKSSA-N 430.593 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1300890194 FWWGJPSMBXANLI-XAISMOLKSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](c1ccco1)N(C)C 1300919181 YADVWOIDFRZJQH-JOCHJYFZSA-N 432.572 4.649 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC(F)F)CC1 1300930433 CHJWLMYTKGEPIN-UHFFFAOYSA-N 437.947 4.776 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301054970 CNTCNGGXABMNKL-JKSUJKDBSA-N 439.412 4.839 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCC[C@H](C)C2)CC1 1301071901 AINIMBRAQCRBCP-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCOC(C)C)CC1 1301135353 XAWWHRRCUXVWMG-UHFFFAOYSA-N 426.605 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1301141724 QCPAFBUTGBXHQB-IBGZPJMESA-N 449.578 4.582 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@@H]1CC 1301273621 TXVGYQTWXZZWPQ-QUCCMNQESA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1Cc1csc([C@H](C)OC)n1 1301342270 UVXROOKNCOTTBY-KRWDZBQOSA-N 425.602 4.980 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1301402015 JLRRJXUUPFAHKU-LJQANCHMSA-N 443.592 4.629 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)C)n1Cc1c(C)sc(C)c1Br 1301427054 ZNYRDOJUAJEGEL-UHFFFAOYSA-N 441.439 4.605 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 1312003903 SVRNVSDCVQVBMU-UHFFFAOYSA-N 441.369 4.724 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)cc1 1312418125 XYTJIATXEUNPKO-FPOVZHCZSA-N 438.300 4.746 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CC(O)(c2ccc(Br)cc2)C1)c1ccccc1 1313218838 JACCXGZBVRYXQC-HXUWFJFHSA-N 429.358 4.760 30 10 IJEE CSC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CCC1 1316397988 HFNDPOZIZKXHBB-QGZVFWFLSA-N 443.592 4.973 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CC(c2cccnc2)=NO1)c1ccc(C)c(C)c1 1348841414 OBECNPGASXFJBX-SANMLTNESA-N 441.531 4.990 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2coc3ccccc23)c(C(=O)OCC)c1C 1349739316 PXJKDIXIRUIKKD-UHFFFAOYSA-N 427.478 4.503 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(Oc4ccccc4)cc3)cc2C1=O 1352140569 OUXQQNYBRCEVTP-KRWDZBQOSA-N 426.472 4.752 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(F)c(Br)c(Cl)c2)cc(OC)c1OC 1357246684 LHKDJEQYCQXNNP-UHFFFAOYSA-N 442.712 4.917 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1c(C)noc1C 1358875332 NPVODSNOPGYXBY-HNNXBMFYSA-N 446.580 4.682 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1cccc(C)n1 1359014561 NLXGFBQSQZKLJC-UHFFFAOYSA-N 425.989 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1sc(C)nc1C 1359109841 QSBYKCYDJJKLCO-UHFFFAOYSA-N 441.601 4.681 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc2cnccc2c1 1359118117 PHDYAJRLDDEJTC-UHFFFAOYSA-N 437.345 4.796 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1359168369 RETFDHIJMFQJFX-PGRDOPGGSA-N 428.964 4.648 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1ccco1 1359199245 PBNNTDUVHRRBAO-FQEVSTJZSA-N 440.569 4.639 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359222367 GVVRBGKIEVFSTK-AHRSYUTCSA-N 430.980 4.756 30 10 IJEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359229062 XGNSDVBTMVPTPE-UGKGYDQZSA-N 449.426 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN(C)CC(F)(F)F 1359234803 BOTROZRGZPPFMK-UHFFFAOYSA-N 436.309 4.758 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCSC1(C)C 1359254909 HUGOIVVUSXLRSW-UXHICEINSA-N 442.629 4.515 30 10 IJEE C=CCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290815 QGKPEMOSAWEPFM-IXDOHACOSA-N 429.590 4.638 30 10 IJEE C#CCN(C(=O)c1ccc(C2CC2)nc1C)[C@H]1CCOc2ccc(Br)cc21 1360557410 XRZKNSCTDQOBFE-FQEVSTJZSA-N 425.326 4.629 30 10 IJEE C[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)c1ccc(C(F)(F)F)cc1 1435918432 IDIZGIRCIIIJQO-GFCCVEGCSA-N 441.247 4.638 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)cc1 1436300085 PJZMKKCKAZYZFR-JOCHJYFZSA-N 448.563 4.573 30 10 IJEE C#C[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Br)cc1 1436652296 YJGNNNOGWYAROE-QGZVFWFLSA-N 448.242 4.758 30 10 IJEE CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1438381915 DQEXMJYHCHEZSI-HSZRJFAPSA-N 443.522 4.761 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@](C)(Cc2ccccc2)C(C)C)nnc1-c1ccco1 1438478713 BHCFMUWPTRRQHN-DEOSSOPVSA-N 438.597 4.980 30 10 IJEE N#Cc1ccc(NCC(=O)NCc2ccc(Br)cc2Oc2ccccc2)cc1 1443862137 FFDSZKFZVJMYRC-UHFFFAOYSA-N 436.309 4.841 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1453341634 APNOJTUHSTWMPY-QRWLVFNGSA-N 448.972 4.711 30 10 IJEE C=CCn1c(SC[C@H]2CNC(=O)C2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1458750024 DDTLFOIKRKCDAC-ZBFHGGJFSA-N 430.643 4.572 30 10 IJEE Cc1cc(C)c(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c(C)c1Br 1458851585 CZCMPAAFAKPCDV-UHFFFAOYSA-N 437.341 4.577 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1 1458856132 QYZCRTNFGJERSR-IBGZPJMESA-N 437.609 4.968 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1459809117 IMRKSQQNHKFGSM-FQEVSTJZSA-N 428.451 4.998 30 10 IJEE C=C(C)CN(Cc1ccccc1)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 1462186605 BSFFXMHHRGCUKB-UHFFFAOYSA-N 425.573 4.915 30 10 IJEE C=CCNc1ncc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)s1 1463920519 XYQVTFTVWPHIMU-JOCHJYFZSA-N 435.549 4.546 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 1470007469 LOGSFLGEMZCAQB-LRQRDZAKSA-N 428.470 4.932 30 10 IJEE CC(C)(C)OC(=O)CC[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1473558289 HKCVXWCGLNVANN-KRWDZBQOSA-N 445.629 4.661 30 10 IJEE CCNC(=O)C(C)(C)CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1476217201 CQEHMQIJOARQIK-UHFFFAOYSA-N 448.445 4.653 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=C(COC)CC1 1507570344 CIFQYUKRLWDLIF-UHFFFAOYSA-N 436.600 4.741 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCOC1CCCCCC1 1507642913 NZOKFWZBMPPOMY-HSZRJFAPSA-N 448.611 4.847 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(CC)(CC)OC 1507662045 DDIFFHZBRUEEQS-LJQANCHMSA-N 438.641 4.800 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](SC)C(C)(C)C 1507765185 ZQEFNYAARUBPKN-GBXCKJPGSA-N 442.629 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H](OC)[C@H](C)CC 1507769670 MAKFBSHXDJODST-DHJUGAMNSA-N 430.980 4.564 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)C1CCCCC1 1507780764 GQWGQCBIZJOLIN-HNNXBMFYSA-N 447.377 4.987 30 10 IJEE C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1507830306 ADKUVDHOKXTFKR-GOSISDBHSA-N 430.325 4.826 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Br)cc1 1507836565 QBQONYADDHGQQM-OAHLLOKOSA-N 435.276 4.804 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCSC2)C1 1507838275 OPIGXMUDWJDEQZ-QFIPXVFZSA-N 449.020 4.533 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507892044 JCGWJXCBXSHSMT-BHIFYINESA-N 431.669 4.720 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCCCCC2)CC1 1507909173 UOFUMNQRUWIXTN-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cccnc2OCC)CC1 1507909282 YXAGFIJHUFSYOH-UHFFFAOYSA-N 447.583 4.718 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN1CCC 1508006117 JEDHDMNMWKZDKI-JTHBVZDNSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC(=C)Br 1508009468 ZICMVRLZEFCYQE-UHFFFAOYSA-N 442.336 4.504 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOC 1508011579 HYRQNESIODHTRY-UHFFFAOYSA-N 425.758 4.576 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1508024047 HSDDWRPRUSVRSI-ZEQRLZLVSA-N 429.568 4.556 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccsc2)C1 1508115905 PNZIJRHNZWINAI-OXQOHEQNSA-N 444.988 4.963 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@@H]2CCCC[C@@H]2C)c1 1510723175 IEIFQTVVQWBMCR-RZUBCFFCSA-N 439.604 4.665 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)OC2CCCCCC2)c(C(=O)OCC)c1C 1524510437 XOCVOHPUMLJIKU-HNNXBMFYSA-N 437.558 4.642 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 1525853116 YDEWTVXZKWZYKO-DIFFPNOSSA-N 427.762 4.844 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2ccc(SCCOC)cc2)CCCN1C(=O)OC(C)(C)C 1528953171 CZXVGPGOZRVVJE-HOYKHHGWSA-N 448.629 4.948 30 10 IJEE C=CCCSCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 1531366202 WDJKOLFEPPMYRB-KXBFYZLASA-N 426.985 4.593 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)cc1 1532130222 KXRRUNPMJKSASI-NNWRFLSQSA-N 428.573 4.683 30 10 IJEE CCCCN1C(=O)CC[C@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1ccccc1OC 1533618604 DKRMQKGYHCEXKJ-MOADCYBESA-N 434.536 4.951 30 10 IJEE COc1cc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)cc(OC)c1OC 1534340535 HJYRVOPTQDNUMH-INIZCTEOSA-N 442.581 4.978 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(CC)[C@H](C)C1CCC1 1539504988 SELCDPQTCFQUPX-MRXNPFEDSA-N 433.021 4.988 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCO[C@@H]1CCCC[C@@H]1C 1539569732 SBPPGWYQJIZDNQ-PIBDYAPNSA-N 440.563 4.584 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccccc1Br 1539617595 XUUQZOHRZFJAED-IEBWSBKVSA-N 433.394 4.782 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1539873803 DQBBYVFQMCYKQY-XFAGBWLFSA-N 428.552 4.511 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1539990220 GRCMJFJEIHKPED-UHFFFAOYSA-N 430.478 4.968 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1540020317 TYZRCEYJDNVOCQ-HNAYVOBHSA-N 431.378 4.982 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1540091939 BOTPIKAHBLPMHP-SSGKUCQKSA-N 438.616 4.987 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccnc(SC)c1 1540143204 SMWJFOUEUAZARK-UHFFFAOYSA-N 434.594 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1ccccc1F 1540147750 VMOWTYBZPUECLD-IBGZPJMESA-N 426.561 4.808 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CC1CCC(F)(F)CC1 1540185528 RXHVAAVYFWFMNR-UHFFFAOYSA-N 427.499 4.994 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1540880817 QYFQUGGICHAZKH-WSTZPKSXSA-N 446.542 4.513 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1)c1cccnc1 1541303179 BVKVHPIDNYXNFV-XMMPIXPASA-N 439.567 4.782 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CC(F)(F)C1 1541806152 GAAGIUQTEVOWCQ-LBPRGKRZSA-N 444.313 4.948 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@H]2C)o1 1542299905 GPPLJDLETRNJLC-GCJKJVERSA-N 433.556 4.950 30 10 IJEE Cc1ccc(Cn2c(N3CCCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)s1 1542402220 FCENKPGLNRATRX-UHFFFAOYSA-N 448.640 4.578 30 10 IJEE CC[C@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C#N)CC1)OC 1545962602 GHOACHILWAQLOY-LJQANCHMSA-N 439.560 4.978 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1 1547523477 BNAMQBXZZAFSSR-HXUWFJFHSA-N 435.553 4.509 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)C1 1563486734 OAPHXYJRRACWLU-RDPSFJRHSA-N 428.580 4.811 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 1585562067 TWYJARVKCLFRSN-UHFFFAOYSA-N 448.544 4.940 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1587872551 MCQKESTZTIBMCM-AHWVRZQESA-N 447.671 4.958 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(F)cn1 1588266994 ZJUFXAGMMWMVSV-QGZVFWFLSA-N 441.938 4.730 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1588292822 CSKILTZOCXILFX-QGZVFWFLSA-N 432.515 4.637 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1588298102 TXTIGXDPFKGKHJ-CVDCTZTESA-N 449.624 4.558 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](OCC)C1 1589006244 CGLUKHXUPSDHQX-LJQANCHMSA-N 444.670 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1589514220 DYZJFQGQZWODCN-HOIFWPIMSA-N 441.526 4.740 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(Cc1cccs1)C1CC1 1589722220 ZUWYYDZOTMYLDU-UHFFFAOYSA-N 440.569 4.778 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1594536978 ZXHMYEIQUMQZIE-URVUXULASA-N 442.579 4.737 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCOC(C)(C)[C@H]1C 1594793350 KQHGOMBBXUKFJV-QZTJIDSGSA-N 444.645 4.728 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1595377289 YXVFXPGRMZKZGI-QFBILLFUSA-N 445.995 4.914 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC[C@@H](C)C2)C1 1595707347 VRKBMUAWCQTMBM-KZNAEPCWSA-N 445.405 4.925 30 10 IJEE C=CCn1c(SCC(C)(C)CN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1C 1613593826 SNPOVHUSMSDADK-UHFFFAOYSA-N 446.576 4.854 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2sc(C)nc2C)cs1 1616304462 VMOXEBLIKCHNIK-UHFFFAOYSA-N 437.550 4.886 30 10 IJEE C[C@]1(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN(Cc2ccccc2)C1 1622864478 FTMIUUGKJHLHFJ-VWLOTQADSA-N 427.508 4.532 30 10 IJEE C#C[C@H](NC(=O)Nc1cnc(Br)c(Br)c1)c1ccc(Cl)cc1 1623226700 GMRSGGYHMGGFLX-ZDUSSCGKSA-N 443.526 4.756 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)cc1 1624739639 GGOSBEZWFRYWQI-UHFFFAOYSA-N 426.520 4.974 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 1624971343 HEKOFHOTLJXSQM-GOSISDBHSA-N 431.895 4.786 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCCCO1 1626155525 SZBULLFJLVGWDV-CLOONOSVSA-N 448.563 4.545 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(OCc2cccc3ccccc23)C1 1628795000 HXWIMBTVIOPZCS-NRFANRHFSA-N 444.959 4.603 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2csc(I)c2Br)C1 1628819830 BMNNKJILQGYNCL-VIFPVBQESA-N 440.144 4.544 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CCc3ccccc3)c3ccccn3)n[nH]2)c1C 1632201384 OXNXMFSMYRKIGL-JOCHJYFZSA-N 440.551 4.575 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@H]2c2ncc(-c3cccc(OC)c3)[nH]2)cc1OC 1635091546 RZRGGMRQLWNNQZ-NRFANRHFSA-N 433.508 4.636 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2)cn1 1640154172 JXQAQCBWJPKSEM-NRFANRHFSA-N 425.529 4.740 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccccc1 1640208165 JJFUWTUAZDYGBU-VWLOTQADSA-N 436.224 4.859 30 10 IJEE N#Cc1c(Cl)nsc1N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 1642411477 FDNKQVLPYQTPIX-UHFFFAOYSA-N 434.348 4.899 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3S[C@H](C)[C@@H]2C)n(Cc2ccco2)c1C 1652776903 HKQWRCGCDTVCMB-ZWKOTPCHSA-N 434.565 4.946 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1oc2ccccc2c1Br 1653714449 IOAFVQJFDJXGAV-UHFFFAOYSA-N 436.327 4.581 30 10 IJEE C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(Br)cc2Br)C1 1654177633 GMAKKDJNDPCKFD-CHWSQXEVSA-N 430.184 4.827 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)c1ccc(F)c(F)c1 1658327045 KCXRCQAYOVUHJI-SFHVURJKSA-N 443.277 4.904 30 10 IJEE C#C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccc(Cl)cc1 1662357525 GZXFLJNXDVQQBG-INIZCTEOSA-N 433.154 4.550 30 10 IJEE C=CCN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1663845330 NFZILZXJHBZBPS-GOSISDBHSA-N 426.365 4.961 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1666448896 JFVFNACPGXWWNG-OEMYIYORSA-N 433.618 4.656 30 10 IJEE COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(C#N)c(Br)c1 1671214382 HIGZFIYPAQVLGW-UHFFFAOYSA-N 440.700 4.794 30 10 IJEE C[C@H](O)C[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1ccccc1 1671278828 DNTDSMLSFHHLAM-RXVVDRJESA-N 445.567 4.718 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1C#N 1671569842 CEPQYOGZPMSDTJ-UHFFFAOYSA-N 443.507 4.705 30 10 IJEE CCc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)N(C)C)cc1 1673909420 HCCFFSOGFZYFNF-QHCPKHFHSA-N 429.524 4.732 30 10 IJEE CC(C)(C)C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1 1674128442 HCFVFXNAIRLQHK-VXKWHMMOSA-N 436.531 4.669 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)Cc3cc(Br)ccc3F)cc2n1 1675012640 AWVTYOJNPMHKJK-CYBMUJFWSA-N 431.309 4.877 30 10 IJEE C#CCC1(NC(=O)NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CCC1 1682394960 CQXKYIBBBUCRAT-NRFANRHFSA-N 445.563 4.952 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1689889035 XFGZPMKLISUWNJ-JOCHJYFZSA-N 426.992 4.953 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccoc1 1690033514 ZKRFFABGEJEZOK-IBGZPJMESA-N 436.943 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1690051362 XAFZCHDNTVEYNY-WIOPSUGQSA-N 449.668 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1scnc1C 1690060584 BNASHHZSZSKJLR-UHFFFAOYSA-N 448.621 4.844 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1cccc(COC(C)(C)C)c1 1690204647 PMZCPDLJJLUBAF-ATIYNZHBSA-N 436.600 4.528 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1690462722 NQEYGTDNBOYANB-UHFFFAOYSA-N 427.980 4.518 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1690506173 FQSJEKMRNZRYTD-OFNKIYASSA-N 434.588 4.738 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1c(C)noc1C 1690682511 QSGHBQOAHHMBKY-UHFFFAOYSA-N 444.539 4.503 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@](C)(OC)C2)CCCC1 1694484799 DPLBUWNFOJKDJA-DEOSSOPVSA-N 437.588 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCC1(C)C 1705492069 LCFZMZLUJAUXKD-ICSRJNTNSA-N 443.636 4.677 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccc(Cl)cc1 1705506258 UODKEPRAZNIYFQ-HRQSHJORSA-N 445.007 4.776 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CC(OC(C)(C)C)C1 1705506458 YWUFKVWCXLOZON-NMBAIYOOSA-N 430.637 4.638 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1CSC 1705529132 FAOMNCIRPGLDOB-OAHLLOKOSA-N 437.382 4.592 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@H]1C 1705604113 FOODBLMPHNFRKM-GGAORHGYSA-N 437.632 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccco1 1705696409 GPTQWHXZBROQRH-SPEDKVCISA-N 440.519 4.768 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1705723882 CFHBCJZGNIGVEC-LJQANCHMSA-N 428.886 4.704 30 10 IJEE C=C(C)COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCSCC1 1705730029 ABXQXHNKJILVBE-UHFFFAOYSA-N 441.626 4.523 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2CCC[C@@H]21)c1ccccc1 1705795209 FCAWEUAAMGSVGL-XJUOHMSHSA-N 435.616 4.935 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](CC)C1 1705800883 MQGKBUTWWCVKLQ-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705803108 FUYGWSFOPKAENR-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C)[C@H]1C 1705817042 BFNFMBBUGNRRHG-CEXWTWQISA-N 449.665 4.689 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1nc(C)c(C)s1 1705868260 HCNFDBIDXIUQSU-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(N(C)C)nc1 1705870030 AICMLVAEAJKVSS-GOSISDBHSA-N 448.640 4.819 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)CC)NC(=O)OC(C)(C)C 1708575846 FEUSDRITLIYGBW-XLIONFOSSA-N 440.592 4.602 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)C1 1710935595 DASGZSAUJSVNTE-MOPGFXCFSA-N 438.626 4.626 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722310475 KMDCGUSQSJKEJO-RDGATRHJSA-N 433.644 4.934 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1sccc1C 1722420904 IYLPJDGJPHIHAF-QGZVFWFLSA-N 444.988 4.576 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)C1CCCCC1 1722457042 NKZUKTMYKYWLEM-UHFFFAOYSA-N 433.419 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCCCC1 1722493300 XTPLWGKZZCOXHL-JQVVWYNYSA-N 428.552 4.919 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)OC(C)(C)C1 1722523761 NLCXPYLAWFTNPD-SFHVURJKSA-N 432.996 4.831 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(SC)CCOCC2)CC1 1722564233 LBOKXBZKEMATLQ-GOSISDBHSA-N 446.592 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)c1cc(OC)cc(OC)c1 1722589535 SGNXEYYMIAJOOQ-UHFFFAOYSA-N 438.576 4.527 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)c1ccccc1 1722597082 QDNXSHKKRAHHGT-XZOQPEGZSA-N 434.588 4.521 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CCC)CC1 1722634808 SFWKVGPNYZIYGL-GOSISDBHSA-N 432.012 4.816 30 10 IJEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccc(Br)s1 1722636230 ZFFJTTCQOCQOIR-UHFFFAOYSA-N 448.346 4.542 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](CC)N1CCCC1 1722642562 HQHRAZDKXCQYKY-KRWDZBQOSA-N 438.403 4.661 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C1CCCCC1)N(C)C 1722643342 JZZIEGJNBKUFQR-HSZRJFAPSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCN(C)C1CCCCC1 1722662885 NJXDHYCZNNLPCD-UHFFFAOYSA-N 438.645 4.802 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1722674104 DZUBEGKRFSNSBJ-AOYPEHQESA-N 443.595 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740542097 NZWLWSTZNIZYGL-SAHWJRBASA-N 431.987 4.706 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N2CCCCC2)CC1 1740584569 HYDLFXOCYBBOOJ-HSZRJFAPSA-N 449.643 4.903 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740650358 YBOUHILGFGNLFH-YSIASYRMSA-N 437.385 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCCNc1ccccn1 1740724563 ALHCSCRQOHHOJT-BKMJKUGQSA-N 428.584 4.709 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cc(C)on1 1740757500 VULDQBPTWCSIAN-OXQOHEQNSA-N 427.936 4.513 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCSC1 1740855972 NUUURJFZAOOUQF-KRWDZBQOSA-N 438.601 4.530 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cnn(C)c1C 1740856550 VMSKIQALFFHLCQ-UHFFFAOYSA-N 431.588 4.710 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1740909023 USSBAAFSLRIDOJ-OAHLLOKOSA-N 439.913 4.638 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1740911827 ZUTQAWKZJOOVTR-FXAWDEMLSA-N 429.609 4.736 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1csc(C)c1)C1CC1 1740915923 YAEOUMUFVQBCMH-HDICACEKSA-N 443.617 4.622 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC(C)(C)SC 1740920112 DFBRBPNNSYGXQP-UHFFFAOYSA-N 425.577 4.737 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCCO1 1740924621 XPLGBSLSLAOLNT-NRFANRHFSA-N 438.597 4.989 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCO[C@H]1CCCC[C@@H]1C 1748916805 DQZMEJZCHIZKLL-PXNSSMCTSA-N 430.980 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(C)C1CCC1 1749119812 XGZYOHGAESXTET-YYDVJCTNSA-N 440.588 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1749335954 VOLGDTYLPHLUGS-MWTRTKDXSA-N 430.980 4.561 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749406419 HYENINSHZGCLHM-MCEYFSPLSA-N 438.616 4.582 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)OC(C)(C)C1 1749447348 CPDRLCSKLLGBIX-SFHVURJKSA-N 444.645 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1csc(C)c1 1749552397 ALTJLYHVNLPCOM-UHFFFAOYSA-N 438.626 4.812 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1749552460 CJRXVPIZNMQOGI-JAXLGGSGSA-N 443.661 4.752 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1Cc2ccccc2[C@@H]1C)C(C)C 1749557899 OBEIOUDEAGSJJF-NKKJXINNSA-N 435.616 4.909 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)c1c(C)noc1C 1749561181 IBNYDESNQGFOMI-QGZVFWFLSA-N 443.555 4.922 30 10 IJEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1)C(C)C 1750892760 FSBCIQVHAJRFHH-UPVQGACJSA-N 434.632 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(OCC)c1OC(F)F 1760118642 JFBZRZQLPOLNJD-MRXNPFEDSA-N 432.515 4.517 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760134148 BIOBAVLLCHQXDR-SFHVURJKSA-N 438.963 4.553 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@H](OC(C)C)c1ccccc1OC 1760219418 DOLONZKHGVBHGG-QHCPKHFHSA-N 436.600 4.505 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N(C)CC1CC(F)(F)C1 1760308905 VPJHKPAVBBOXAY-UHFFFAOYSA-N 425.321 4.567 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC)(CC)C1 1760324484 KERQQHZRBPOPHD-GHTZIAJQSA-N 429.634 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnc1C(C)(C)C 1760327148 CLRZCZDQEXENCW-NQIIRXRSSA-N 439.560 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(C)(F)F)c1 1760329666 HGBSSXTWFSDKGY-XMMPIXPASA-N 448.558 4.881 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C#N)o1 1760332089 SYPMYTFVXXKFKW-UHFFFAOYSA-N 444.308 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1760336226 WHRYIQVWFLLRFD-QUCCMNQESA-N 432.515 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1Cc1cccc(C(F)(F)F)n1 1760338983 WPONIWZIUIYGFM-UHFFFAOYSA-N 445.489 4.742 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(OC)C1 1760351722 KRDUACCEEOAAIK-BWKNWUBXSA-N 442.604 4.633 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)C1CCCCC1 1760431384 NSPAWKFWTBCREN-UHFFFAOYSA-N 429.996 4.987 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](OC)C(C)(C)C1 1760435152 ZGSYQNHTKAATMF-QFIPXVFZSA-N 436.556 4.945 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCN(CC)C(=O)OC(C)(C)C 1760455259 LMTANFMXKAVVPL-HXUWFJFHSA-N 427.593 4.699 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@]1(C)CCCS1 1760477976 QJBXWUKCMUZEPT-XMMPIXPASA-N 435.597 4.827 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCS1 1760479086 CQNQLQKGZDKZLA-NRFANRHFSA-N 432.597 4.634 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760500106 SJJPJGHQNJZUBB-LVXARBLLSA-N 448.615 4.679 30 10 IJEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)C[C@@H](C)O1 1765307465 HXQONEJZORTQHN-CTNGQTDRSA-N 437.588 4.559 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccccc3C(F)(F)F)n3ccccc23)cc1 1858244257 GBXQZWBVPIRHDR-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE N#Cc1cccc(C(=O)Nc2ncccc2OCC(=O)Nc2cccc(Cl)c2Cl)c1 1858712683 XJUJNARUNLNNAB-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccccc1Nc1ncc2c(c1C#N)CCCC2 1859840878 VWIBYGZBSUNNNC-UHFFFAOYSA-N 432.549 4.791 30 10 IJEE N#Cc1ccccc1NC(=O)CCCCCNC(=O)CCc1ccc(Br)cc1 1860914872 UZEXHVGAPKDHAK-UHFFFAOYSA-N 442.357 4.569 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc([N+](=O)[O-])c1 1861023056 LGYYTQUAZYPHMF-JOCHJYFZSA-N 443.519 4.552 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)c1 1862456479 SFJCBXKWRYMMFT-HXUWFJFHSA-N 427.378 4.784 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1[N+](=O)[O-] 1862460782 PZZXJMZCFNCNJN-LJQANCHMSA-N 448.397 4.637 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(N(C)C)cc1 1862583160 VBKNTELZMZYRFW-IBGZPJMESA-N 431.319 4.824 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(OC)c1 1862584921 KRNGNBDNEXGIMD-SFHVURJKSA-N 436.291 4.696 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 1862626028 SHTYXVLJUVLAFN-GHNFSYLKSA-N 437.467 4.711 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 1862628468 ZIBLUCHBQPUAMU-NPMXOYFQSA-N 445.446 4.894 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 1862662653 JZUZBBLRYGXGSH-XMMPIXPASA-N 434.580 4.902 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862678229 LVIWQYVZQNYULR-QRQCRPRQSA-N 445.446 4.863 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862728220 WGORVWJMAZGMQW-JOCHJYFZSA-N 428.444 4.860 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(N4CCCC4)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862905542 SKIGRGIBDYQFMI-UHFFFAOYSA-N 448.526 4.864 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2cccc(Cl)c2)C1=O 1863054645 YRZAIKKDQUAERZ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1c(NC(=O)c2cc(=O)c3cc(Oc4ccccc4)ccc3[nH]2)sc2c1CCC2 1866536501 BQVJHHPWTPMBTG-UHFFFAOYSA-N 427.485 4.995 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868401035 MPDGRRCZVDGSRG-GOSISDBHSA-N 432.597 4.989 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1 1868962196 OABLWFKRNZTEQF-WIYYLYMNSA-N 440.971 4.576 30 10 IJEE CCCCOc1cn(Cc2ccccn2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870182077 AAXYXBFYHDVAQE-UHFFFAOYSA-N 448.592 4.955 30 10 IJEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CSc1ncccn1 1870221193 NKHOOGNTNSISPN-UHFFFAOYSA-N 443.956 4.618 30 10 IJEE CCCCCCCOc1cn(CCCN2CCCC2=O)c(CN(CCC)CCC)cc1=O 1870409371 PWVBMOUGHGVPQG-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1ccccc1CC 1871190614 JIEVTQMZRRTFAQ-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)c1 1871346428 FSQDFAGBDMGMCM-IWIPYMOSSA-N 443.499 4.851 30 10 IJEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871364004 BMTKTCUCBWRXJP-UCQKPKSFSA-N 429.472 4.662 30 10 IJEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)cc1OC 1871367321 FZROPTGUJMJLCO-QRVIBDJDSA-N 445.471 4.562 30 10 IJEE CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)OC(=C(C)C)C3=O)c1 1871425352 JYYOFESZJDJJPA-IBGZPJMESA-N 437.492 4.837 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871823419 JSSPGAWMKJNGNY-QFIPXVFZSA-N 432.561 4.762 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccccc1 1872055969 HOILTTZDUFITKU-QFIPXVFZSA-N 432.561 4.754 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872108887 KRFMDDARFZCRTN-KSFYIVLOSA-N 443.544 4.537 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCCC 1872171793 JQUKMFFGCDSAPO-QFIPXVFZSA-N 438.634 4.837 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1872453113 OQGROVUIZVVELW-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872520997 BZQJQBWWHHXPGG-WZONZLPQSA-N 428.598 4.842 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c(OC)c1 1872778964 YIGHRZBHKNJYDJ-LJQANCHMSA-N 436.533 4.872 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCCCn3ccnc3)ncnc21 1873640472 VAHBATZYPRCPIL-UHFFFAOYSA-N 449.946 4.530 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N3CCCCC3)ncnc21 1873669220 QEAUAQASZOLNQX-UHFFFAOYSA-N 425.920 4.522 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874203444 CBZONJFVGRXPAV-AWQFTUOYSA-N 438.296 4.676 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874247405 CONOCVFHBTXIKH-XQNSMLJCSA-N 439.541 4.891 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874250109 UWJJGXVUDABUCV-XQNSMLJCSA-N 437.525 4.667 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874267105 GFPFYWJKFIRUBU-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(OC)cc1OC 1874353396 HKLPTNKAZRTYOG-ZMOGYAJESA-N 438.553 4.563 30 10 IJEE Cc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCC(=O)OCC(C)C)cc1 1874374074 GBWYNISHRUXQAN-YDZHTSKRSA-N 442.610 4.607 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccco1 1874374850 QHVVLULYNVZNFA-AFUMVMLFSA-N 449.511 4.522 30 10 IJEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874397837 LKNVFFJBFKYWFR-CIRUFVMISA-N 447.564 4.839 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccs2)o1 1874428140 UBMXCPWLSYXHJY-LPYMAVHISA-N 438.534 4.951 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1 1874429548 OUCPNBMZYUXQEG-PXLXIMEGSA-N 427.599 4.630 30 10 IJEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1CCCO1 1874451376 YCOGVIFJZKXEAP-ZTBJCTOSSA-N 436.368 4.949 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCC(=O)N[C@@H](C)c1ccccc1 1874492382 KWQFRETWBOYINU-WQGFDPGOSA-N 441.626 4.698 30 10 IJEE CC(C)c1nnc(SCCCO)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874515760 OUJNIPXJSAMHIU-ZVHZXABRSA-N 444.988 4.991 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c1 1874597309 FMYGULAUSJFFIH-SOFGYWHQSA-N 429.472 4.946 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br 1874611396 HLUQNOIHJDFLGC-XVNBXDOJSA-N 438.268 4.528 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccncc2)c(OC)c1 1875143937 YBDAFIJCZAXAJK-VOTSOKGWSA-N 433.460 4.531 30 10 IJEE CCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC 1875194650 YJLPVFZFFZTVCF-VQHVLOKHSA-N 434.872 4.586 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(C#N)cc1 1890874923 JZMJXUXVJRQIBI-WOJBJXKFSA-N 447.482 4.609 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)cc1F 1901482963 LNQDIDBYBVDMNM-QHCPKHFHSA-N 443.478 4.953 30 10 IJEE C[C@H]1CN(c2cc(Br)ccc2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297264 QZUUVDOKLPLSLW-IYBDPMFKSA-N 428.330 4.557 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2014555255 DKHZRRYYOQPKNR-QVKFZJNVSA-N 436.557 4.852 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2070326067 FZYNASLEZAWGSK-JTKRFKOTSA-N 441.616 4.843 30 10 IJEE CC(C)(C)c1ccc(-n2nc(/C=N/O)c(I)c2C(F)(F)F)cc1 2079145173 JXFOVYBEOQASQT-DNTJNYDQSA-N 437.203 4.601 30 10 IJEE N#Cc1ccc(CNc2c(Br)cc(Br)cc2Br)cn1 2104035499 LICJXOAVKJJLTM-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2118194419 LKYWMIZJBZBXQZ-BLLLJJGKSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3ccc(C#N)c(Br)c3F)C[C@]2(C)C1 2172912362 KBLKHSYAUHISBH-LRDNONRASA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CCN2Cc1ccc(Br)cc1C#N 2197343207 TYLDCODRAATKAL-UWJYYQICSA-N 434.378 4.590 30 10 IJEE CSc1cccc(NC2CC3(C2)[C@H](NC(=O)OCc2ccccc2)C3(F)F)c1C#N 2207138179 ZAIAWOKLVGQEIK-RNFHDMOYSA-N 429.492 4.785 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2c(F)cc(F)cc2Br)C1 2225592519 FUPNPSROTXFAJS-INIZCTEOSA-N 431.321 4.849 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@H](N)C#Cc1ccccc1Br)C1CCCCC1 2235726999 JRDPUHOSPRERRA-QUCCMNQESA-N 435.406 4.992 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2237004348 SHIYVJPSLHPMIB-KRWDZBQOSA-N 441.410 4.870 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2267192880 XJKLWKDBYRHBJK-IBGZPJMESA-N 437.389 4.681 30 10 IJEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2267512533 OBIXQBVRTUGKRT-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE C=CCC1(COc2nc(C)ncc2Br)CCN(C(=O)OC(C)(C)C)CC1 2272151561 VXDXCHRUDIKDRD-UHFFFAOYSA-N 426.355 4.520 30 10 IJEE C=CCC1([C@H](NCC)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2278360809 WJYPZBASOVYVCG-OAHLLOKOSA-N 445.423 4.983 30 10 IJEE CN[C@@H](C#Cc1ccccc1F)c1cc(I)ccc1Br 2281378475 XKPLYMBKHIBTAV-INIZCTEOSA-N 444.085 4.505 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)[C@@H](N)C#Cc1cccc(Br)c1 2296221763 LLHOIBOEQPPSOL-LSDHHAIUSA-N 449.311 4.610 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1C=CCCN1C(=O)OC(C)(C)C 2296295494 DPRLCZYORMHZNG-VQTJNVASSA-N 433.390 4.734 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296298594 LUPXZQJEIVWPGB-CVEARBPZSA-N 449.311 4.624 30 10 IJEE CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC=CC(=O)c3cccs3)cc2)c1 2296667790 CQNKMEMPVCZENL-UHFFFAOYSA-N 426.519 4.560 30 10 IJEE CCc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 2296936135 BNKGMXORMSBJJE-TZIWHRDSSA-N 425.912 4.503 30 10 IJEE C=CC[C@@H](O)[C@@H]1CCN1c1sc(Br)c(Br)c1Br 2299413800 USMSRGQFIKCVOS-NKWVEPMBSA-N 446.002 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317353501 HZZLLUPQMXDBAN-QFQMRYFISA-N 429.370 4.538 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)cc1 2321853858 YEVFJZOIXUTHSW-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(CCC)cc2)cc1OC 2322156485 PYRTZOHCVSEDTN-UHFFFAOYSA-N 440.569 4.778 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC 2322183802 UIRCAOXSVSTBTG-UHFFFAOYSA-N 447.004 4.879 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)c(OC)c1 2323679963 SGZRYWYUCPNMIL-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE Cc1cc(OCCN2CCOCC2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2325675201 QQWPDANOEGVTRP-UHFFFAOYSA-N 434.319 4.629 30 10 IJEE COc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1O 2329837393 WIOJSUDCHJWATM-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE CC(=O)NCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(C)c1 2330775745 BOIQNXXJTWIMJK-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE CCOc1cccc(C=Nn2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)(C)C)c1 2331394520 PUKUUWLTKYWMTB-UHFFFAOYSA-N 442.541 4.528 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2)cc1 2331437898 LICUTJXOBUOOMS-UHFFFAOYSA-N 439.560 4.791 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccs2)c(C)c1 2331545299 VMUMUZSIBSJMFJ-UHFFFAOYSA-N 425.583 4.837 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccccc1Cl 2331638853 YAGNBPLJGGONBW-UHFFFAOYSA-N 427.961 4.805 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2C(C)C)cc1 2331711710 YSKCTFYVXRFJKJ-UHFFFAOYSA-N 435.597 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2339592327 OMWITFVQINNKTJ-HOYKHHGWSA-N 442.365 4.505 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@](C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339598359 BOLCNJPJFJYTDM-WZVDPSJFSA-N 444.381 4.941 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369734131 VFRIIQUSYKDPGL-SANMLTNESA-N 448.460 4.637 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCC 2850206 XURNBSLUSXCORH-GXDHUFHOSA-N 434.311 4.819 30 10 IJEE C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C 22027803 LBLDMHBSVIVJPM-SWYRRKHMSA-N 435.612 4.544 30 10 IJEE in-vitro CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C1=O 33812281 XWDSFPFLQVRXMT-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2O)cc1 169923619 RBMALINQCFFONZ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(-c2csc(N/N=C\c3ccc(O)c(Br)c3)n2)cc1OC 169942124 OWMPNLDYRLLCGU-UKWGHVSLSA-N 434.315 4.741 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1c[nH]c2ccccc12 170073248 VLPCTIWCWLGKLZ-HSZRJFAPSA-N 444.487 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccc(C)o2)cc1 170103699 REUYXXSDVPTPTH-NRFANRHFSA-N 443.459 4.564 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(OC)cc1 170116790 BPCYDXOXIVGLIN-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccc(O)cc3)ccc2O1 170131811 QTQLIWFWSPFAAD-PSLXWICFSA-N 445.446 4.638 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3cccs3)oc12 170157495 YBWVFJKZAPMWIZ-FQEVSTJZSA-N 447.468 4.991 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2F)cc1C 170251991 GXMRIZUSEOLMHR-JOCHJYFZSA-N 441.499 4.538 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299337 CJIJZGDPESDVFN-IBGZPJMESA-N 440.358 4.557 30 10 IJEE O=C1/C(=C/c2ccccc2)S/C(=N\N=C/c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 210635504 LAHXNHHRCRQPCP-IZXFVBNXSA-N 432.461 4.694 30 10 IJEE Cc1ccc(N=C2C(=O)N(CN3CCN(c4ccccc4)CC3)c3ccccc32)cc1Cl 254488298 DUNHWXWHKYFRGO-UHFFFAOYSA-N 444.966 4.896 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1)c1ccc(F)c(F)c1 477756375 VRIDXNBGOQPRLO-HSZRJFAPSA-N 439.506 4.593 30 10 IJEE CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(F)c(C#N)c1 488951320 YGJLBAINEIYKBA-CYBMUJFWSA-N 425.323 4.622 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 508884989 LKUQARKNYQGDRD-QTJGBDASSA-N 448.542 4.735 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 508920675 VLPAHOTYZAZFBG-SBUREZEXSA-N 429.499 4.785 30 10 IJEE C[C@@H](N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccc(C#N)cc1F 512674804 ZFNJTGLDSMLVAI-QKFKETGDSA-N 444.478 4.819 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC 525589031 WGSWFNMRPCBNAX-SFHVURJKSA-N 430.504 4.515 30 10 IJEE Cc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCCCC3)C2=O)c(C)c1 526696114 OEOGXCOVWUXIGW-UHFFFAOYSA-N 446.576 4.550 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(OC)ccc1OC 526803747 LAPYAOQZLFZXRN-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(CCCC#N)Cc1cccc(C(F)(F)F)c1 586138102 HVSZLTVILXRCQU-UHFFFAOYSA-N 426.460 4.517 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(Cl)n2)cc1 586256390 VCEQJYHOUFWGNM-UHFFFAOYSA-N 441.940 4.789 30 10 IJEE Cc1ccc(-c2cc(C(=O)NCc3ccc(C#N)cc3F)c3cnn(C(C)C)c3n2)s1 609228762 FKGWKWODUBYYIM-UHFFFAOYSA-N 433.512 4.990 30 10 IJEE CN[C@@H](C#Cc1ccccc1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686823421 IEFOASNNYVMCLA-VWLOTQADSA-N 447.623 4.576 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c(C)s1 698401423 VXUCDJCOXRYSOW-OAHLLOKOSA-N 430.412 4.963 30 10 IJEE C=C1CCC(C[C@@H](NN)c2cc(I)ccc2Br)CC1 724582115 IZRXNUJWSWNJGJ-OAHLLOKOSA-N 435.147 4.695 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccc(Br)cc2)nc1C 732179006 KWHXXKIICKEGMB-UHFFFAOYSA-N 442.317 4.570 30 10 IJEE Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732649010 YWTVBASLIHYWQV-ODFZLOHPSA-N 448.570 4.842 30 10 IJEE Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 739115771 FCJSIIHSTXXCQM-CPJSRVTESA-N 425.532 4.679 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739590236 HOTANFZKTGFNFG-MOPGFXCFSA-N 425.554 4.596 30 10 IJEE C[C@H]1CN(Cc2ccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)C[C@H](C)O1 739598151 DXBOHZSZAPFTTK-OALUTQOASA-N 445.588 4.826 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 741920357 RTWJMCHHLSOYCS-UHFFFAOYSA-N 428.557 4.815 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3ncoc3-c3ccc4c(c3)OCCO4)c2)s1 741948326 GSIQLNDKLBQDOL-UHFFFAOYSA-N 443.484 4.643 30 10 IJEE CCc1cccc[n+]1/C(C(=S)N[C@@H]1CCOc2ccccc21)=C(/O)c1ccc(C#N)cc1 762437680 BYTSINKPZVZIHX-JOCHJYFZSA-O 442.564 4.733 30 10 IJEE CCc1cccc[n+]1/C(C(=S)N[C@H]1CCOc2ccccc21)=C(/O)c1ccc(C#N)cc1 762437712 BYTSINKPZVZIHX-QFIPXVFZSA-O 442.564 4.733 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)CCCN1C(=O)OC(C)(C)C 792531393 ZUYBYLQDAJFSOA-HSZRJFAPSA-N 449.979 4.763 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 802601111 IQILCJMBEMOCJJ-UHFFFAOYSA-N 435.959 4.977 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cc(Cl)c(F)cc1Cl 815504546 CHQHYZAMKQKBMU-GFCCVEGCSA-N 439.270 4.633 30 10 IJEE CC(C)Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(CO)c2)cc1 917612161 KZBCWKNLKCWOAA-UHFFFAOYSA-O 444.580 4.860 30 10 IJEE Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)C[C@@H](C)C[C@@H]4C)cc2n1 1129225920 GYOHGNNUXJKIDW-UWVGGRQHSA-N 433.459 4.928 30 10 IJEE C#C[C@H](NC(=O)c1cc(I)cc(C(F)(F)F)c1)c1ccc(F)cc1 1129603120 NAXCUZZKUPUNCE-HNNXBMFYSA-N 447.169 4.553 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1130029759 DJJPNLXIGKBMAC-QHCPKHFHSA-N 447.601 4.864 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F 1136763625 AJEKAUVPJHRMBU-JLZZUVOBSA-N 431.512 4.930 30 10 IJEE C#CCC[C@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1138991340 NETSGSQXHYDSJY-NUTRWHQKSA-N 440.543 4.624 30 10 IJEE Cc1ccc(N2CCC(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)CC2)nc1 1162667806 HXWXXUJENXEFHY-QGZVFWFLSA-N 430.474 4.566 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1OC 1178436664 OQVFUWXEJVJHKW-DYESRHJHSA-N 445.401 4.633 30 10 IJEE N#Cc1cccc(S(=O)(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c1 1188062534 GSTAJOHPCOJKDJ-HXUWFJFHSA-N 445.313 4.528 30 10 IJEE C=CCn1c(SC[C@H]2CCN(C)C2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1188128181 BEDWUYBHGOQXAK-HNNXBMFYSA-N 429.586 4.802 30 10 IJEE COc1ccc(CCCN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 1190474550 DOQKJZRDKOVRDB-UHFFFAOYSA-N 444.579 4.537 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 1194551494 IDLUGDOBAOXHHF-MCGOBGFWSA-N 446.433 4.633 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@@H]1CCCO1 1197352814 YMOXARQWFRTMAA-MOPGFXCFSA-N 431.355 4.903 30 10 IJEE C=CCCCCCCNC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1219120783 ZUHGZCSBIOZJEJ-UHFFFAOYSA-N 428.346 4.683 30 10 IJEE N#Cc1ccc(CNC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc1Cl 1226609582 DJUONPZJWDPNGI-HXUWFJFHSA-N 431.367 4.719 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)CC1 1226798678 UXJGLVZFFBPDHB-LJQANCHMSA-N 440.813 4.990 30 10 IJEE C#CCN(C(=O)NCC(=C)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1229633488 WSIQRXOHYRGBOF-HXUWFJFHSA-N 425.326 4.631 30 10 IJEE C=CC(C)(C)NC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1233531629 HXXQFRMGFQWBNS-UHFFFAOYSA-N 433.346 4.801 30 10 IJEE C#CCN(C(=O)c1ccc(C)c2cccnc12)[C@H]1CCOc2ccc(Br)cc21 1265209382 BGFFXPNOCXIEFL-FQEVSTJZSA-N 435.321 4.905 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1 1274175709 DOSHSSUOCWQTMD-UHFFFAOYSA-N 431.496 4.676 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C/C=C\c1ccccc1 1286459612 DZJWIGDADKYDLZ-NHHWLVAYSA-N 446.620 4.931 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC2(CCCCC2)C1 1286497762 XPYHBZQTYUYKLL-QFIPXVFZSA-N 438.641 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1N(C)CCCC1(C)C 1286581223 NBVXFLHOLAMTDZ-OAQYLSRUSA-N 431.575 4.670 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286678013 NZBABNLAWOCRKD-SFTDATJTSA-N 439.604 4.865 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286685004 PUGMCDWTMUCPGJ-NRFANRHFSA-N 446.599 4.735 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cc(F)cc(F)c1 1286770726 UKQJRIMSVAEDKV-UHFFFAOYSA-N 425.302 4.870 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286796825 WXQWRTRYZPVOAF-NRFANRHFSA-N 447.583 4.737 30 10 IJEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)N1CCC[C@@H](C)C1 1291105192 GIVYLOYLTGNQDU-HKBOAZHASA-N 434.632 4.810 30 10 IJEE C=CC1(CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)CCCCC1 1300584801 KHYVGZDTTZKGID-OALUTQOASA-N 440.481 4.715 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1300637600 HVKLFKUYGIRGSW-NRFANRHFSA-N 442.991 4.852 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(CC)Cc1ccc(Cl)s1 1300884180 IJIWNMQOTJHCSY-FCEWJHQRSA-N 437.009 4.505 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2)C1 1301018630 IDOJZVYDMBEUAC-OAHLLOKOSA-N 432.753 4.782 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1301155279 LEWHYAUTCJXPEK-OAQYLSRUSA-N 430.637 4.635 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1301245739 KOSQGTWTXZYQCE-LJQANCHMSA-N 441.601 4.897 30 10 IJEE C#CCN(CCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1307476421 YFICHESNBYMVNP-LJQANCHMSA-N 449.295 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl 1310499109 QXJDUQISNOADAP-UGSOOPFHSA-N 442.869 4.956 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 1310582419 YAGLVWBMBXNXKC-FQEVSTJZSA-N 431.458 4.507 30 10 IJEE C=C(C)CCC(=O)O[C@@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1350597561 BGMKDEDCTUKSGW-VGOFRKELSA-N 435.973 4.990 30 10 IJEE C#CCN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1353634158 KMRYMBKAYQBASU-HXUWFJFHSA-N 446.316 4.733 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCOc1cccc(Br)c1 1358377330 FPKCFTALHSWPCO-UHFFFAOYSA-N 444.247 4.842 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC1(COC)CCCC1 1358875568 SEJOYXRJNGWWPA-FQEVSTJZSA-N 431.584 4.857 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1358910531 SMNXYUZSVBQGAD-QFIPXVFZSA-N 435.959 4.683 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1358934921 QRQHJDRCNDMLGP-ICSRJNTNSA-N 449.382 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCN1CC 1359107521 OPXGGKRRXLUOCI-PZJWPPBQSA-N 429.584 4.834 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1359152041 KXHYNSOSXLTDAA-OALUTQOASA-N 436.934 4.684 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCCC[C@@H]2C)CC1 1359161005 MKBRBQDKUQLWDM-IBGZPJMESA-N 445.558 4.967 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359198946 GLKXIOKQJZSMRY-AZUAARDMSA-N 432.515 4.908 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(Cc1ccco1)C(C)C 1359202274 NZUFXWUWNNQBBS-UHFFFAOYSA-N 446.555 4.556 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359220301 UOYKIDKIQYPCSU-YOEHRIQHSA-N 444.885 4.633 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H]1OC 1359262266 NLFBKAFXUPDMBY-UNMCSNQZSA-N 433.581 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1359271577 YIOISWWLXTZLAR-IBGZPJMESA-N 429.609 4.761 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)COc2ccc(Br)cc2F)c1 1361104472 SJGRMQWANIKGGD-UHFFFAOYSA-N 428.257 4.775 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)c1 1435004164 FIBPWBBSCUOQNS-UHFFFAOYSA-N 440.459 4.569 30 10 IJEE C#CCC1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCCC1 1439618520 UHIORRLAHXDNJY-UHFFFAOYSA-N 427.898 4.813 30 10 IJEE C=C(CCN(C)C)C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 1440631222 WSMRUJWPNBCDQE-UHFFFAOYSA-N 436.987 4.718 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c1 1455950868 VSDKWZTYGPCZJW-OYRHEFFESA-N 425.532 4.524 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCOc1ncc(Cl)cc1Cl 1457779322 BJLKVBGUAWOVLA-UHFFFAOYSA-N 435.229 4.781 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1 1462503448 JXOXNXZFOOJAQA-GBXCKJPGSA-N 440.609 4.935 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)s1 1464304494 VELMPPAPSNSLNG-UHFFFAOYSA-N 435.372 4.803 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 1465398719 IXHCHWMWYYQKCT-GOSISDBHSA-N 429.442 4.727 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(OC)C(C)C 1465942123 BNEPWPWKQSYAAW-QFIPXVFZSA-N 442.943 4.835 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1)c1ccccc1 1468348158 QKOBEMWHOHWIDI-ZEQRLZLVSA-N 428.532 4.970 30 10 IJEE CCCN(C)C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 1473203625 HDRJQKOAPVBVOQ-RBUKOAKNSA-N 444.689 4.763 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccsc1)N(CC)CC 1507535299 DTGNYKPMBMQPOL-GCJKJVERSA-N 439.604 4.611 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)Cc1cccs1 1507619414 LKALZDMQCSEEIR-KRWDZBQOSA-N 426.611 4.589 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCC(F)(F)C1 1507621502 VDEKNFYNLLZBFL-KRWDZBQOSA-N 436.934 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1507821498 DNTFFOONKVKUIG-JYFHCDHNSA-N 438.616 4.584 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C)C(C)(C)C1 1507839862 VYWCICFMBGIRBG-IBGZPJMESA-N 434.588 4.800 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OC)C1 1507871859 AOMZAARAIZRKOM-AWEZNQCLSA-N 431.751 4.532 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(CCOC)CC2)CC1 1507896768 LEGRENSRHGLLLE-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](OC)C1 1508152278 KDCGSGDVUZNZKJ-AWEZNQCLSA-N 435.018 4.958 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C)(C)CC1 1508157866 HPNHSZNFOAAPRP-UHFFFAOYSA-N 430.618 4.898 30 10 IJEE CCCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1514354941 GDPVQJWORIMHBI-HNNXBMFYSA-N 446.393 4.892 30 10 IJEE C=CCCCCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1518536880 FDOPDAYZLSNOJS-UHFFFAOYSA-N 446.473 4.907 30 10 IJEE CC#CCCCC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1520623920 HMLWZGAQZMCRFL-UHFFFAOYSA-N 430.342 4.847 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)CCCN1C(=O)OC(C)(C)C 1520837435 FVNJXGSEXKJPPV-HSZRJFAPSA-N 442.947 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)c2ccc(CC#N)cc2)C1 1521001645 HLKVMVVTOWKLDU-HSZRJFAPSA-N 433.552 4.795 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(Cl)ccc1I 1524510848 OTDXQVBHOFGBPS-UHFFFAOYSA-N 428.653 4.901 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCCN1C(=O)OC(C)(C)C 1524626632 MULIGZGPONCGCO-OAQYLSRUSA-N 437.924 4.552 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CCCN1C(=O)OC(C)(C)C 1527517607 PZZMPFPURUIWJQ-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE C=CCOc1ccc(OC(=O)CCCOc2ccc(I)cc2)cc1 1530865003 LTGAAZOVAIZZJA-UHFFFAOYSA-N 438.261 4.621 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)C(=O)OCC 1537004279 VNJSYDSPLWTBGZ-GOSISDBHSA-N 445.972 4.736 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 1537356958 OJWUWFBTIFZSOK-UKIBZPOASA-N 439.353 4.552 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)CCCN1C(=O)OC(C)(C)C 1537527276 JEBOERMYSVRRMH-CRICUBBOSA-N 440.540 4.720 30 10 IJEE C=CCc1cc(C(=O)N2C[C@H](C)Oc3ccc(Br)cc32)cc(OC)c1OC 1538482535 LZXGYQNMGRVMAL-ZDUSSCGKSA-N 432.314 4.623 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c(Cl)c1 1538769440 AFVZBQATSGQILE-MRXNPFEDSA-N 438.936 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1538994592 FUQMQPLYTHUGMC-SVMVAKDDSA-N 437.588 4.687 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ncc(Br)cc1Br)c1ccc(F)c(F)c1 1538997407 SEPHIWPUKBINCX-CQSZACIVSA-N 446.089 4.932 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC(C(C)(C)C)C1 1539012122 IWRRZELWUCTPBE-UVHRUJRTSA-N 443.636 4.848 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2c(C)nc3ccc(Br)cn23)cc1 1539198529 YRSUSHCAAPFPOG-UHFFFAOYSA-N 442.313 4.667 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1Cc1c(C)sc(C)c1Br 1539563573 LXNXIILKLMYMFQ-HXUWFJFHSA-N 433.419 4.712 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCO[C@H]1CCCC[C@H]1C 1539569731 SBPPGWYQJIZDNQ-FZOAFFARSA-N 440.563 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1OCCC1(C)C 1539656578 YHYNXIZVPWWPFH-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)(CC)C1 1539701513 JRZDHACYKCZBIS-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1539775818 PQPFRPXZFKWSRF-VGSWGCGISA-N 449.020 4.903 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1539897294 BPGYUSZRROZEEB-QFIPXVFZSA-N 425.621 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1539906838 UOUPFNNPACQFCA-NRFANRHFSA-N 437.632 4.868 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540019405 ASFXITHYEWRFSD-DNVJHFABSA-N 449.599 4.612 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1540054078 KQAGWKZDBCIZMY-OALUTQOASA-N 445.995 4.895 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(C(F)(F)F)c1 1540088862 QRHLSROJIRJNJT-UHFFFAOYSA-N 433.503 4.963 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C 1540127545 RULVCATZYHYGEW-UHFFFAOYSA-N 427.593 4.897 30 10 IJEE CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 1543034403 DSPIXMJMEHPULQ-OAQYLSRUSA-N 449.595 4.879 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 1543828612 FYDOHQYDWVXHDQ-UHFFFAOYSA-N 435.376 4.870 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCCC)c(OC)c1 1544133834 GLOXOZMFJCHATC-RDJZCZTQSA-N 440.968 4.697 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN(CC)CC)C1 1546633557 GCWOSUORVGBNQQ-CQOQZXRMSA-N 434.632 4.811 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1555856904 HQXPNLYERYWGDG-CVDCTZTESA-N 445.608 4.694 30 10 IJEE C#CCN(C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@H]1CCCc2ccccc21 1558542871 ZAVXIIAMEPDCOQ-BJKOFHAPSA-N 430.548 4.573 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)ccc2C#N)CC[C@H]1C(F)(F)F 1559282562 XITWLMMVHDESQH-ZIAGYGMSSA-N 448.283 4.603 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)Cc2cccc(OC(C)C)c2)n(-c2cccc(F)c2)c1C 1559715501 DMXMQRQECBMEMH-UHFFFAOYSA-N 448.542 4.963 30 10 IJEE C#CCN(Cc1nc2cc(C(F)(F)F)ccc2o1)C1CCN(C(=O)OC(C)(C)C)CC1 1560141140 JXLLQXIFFATDNS-UHFFFAOYSA-N 437.462 4.681 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1564406254 CBNOLQNBHFSECN-NHCUHLMSSA-N 445.485 4.904 30 10 IJEE C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nc(C(F)(F)F)no1 1585330936 DRQDBDONDOSSNW-SNVBAGLBSA-N 436.777 4.897 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 1586902791 GJCXQUSEIQXSOZ-UHFFFAOYSA-N 433.346 4.938 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3cnc(-c4ccc(C)cc4C)s3)c2C#N)C1 1586958157 GIAYQEVFVMBEJK-UHFFFAOYSA-N 436.562 4.517 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1587783240 MPHLCLCYZBAUNU-DENIHFKCSA-N 447.410 4.989 30 10 IJEE C#CCCCCn1c(Nc2ccn(C)n2)nnc1-c1ccc(Br)cc1Cl 1587798408 JVWOJCSOJHVMOF-UHFFFAOYSA-N 433.741 4.642 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(F)ccc1F 1588099719 XCQJDIWQNKSSKD-UHFFFAOYSA-N 436.531 4.675 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](CC)C1 1593908592 NJWLESJWJYYRGI-GOSISDBHSA-N 439.387 4.619 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C#N)C1 1594567861 RZXRIQWFBNJYHR-AZUAARDMSA-N 443.979 4.773 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[C@H](C)C1 1594628159 ZVWWNFLSBGAWTC-RTBURBONSA-N 431.625 4.841 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C)s1 1595399036 QFGCFVPMPVQPDK-KRWDZBQOSA-N 431.606 4.585 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1595884429 LPCOIKBYYIBBPH-OAHLLOKOSA-N 427.039 4.689 30 10 IJEE C=C(C)C(C)(C)C(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1596467511 OROXADGCLNVGQC-HNNXBMFYSA-N 436.478 4.563 30 10 IJEE C=CCN(C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1)C1CC1 1597561437 SWGRGURWGRTPBS-UHFFFAOYSA-N 426.582 4.820 30 10 IJEE CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1614087324 DBNIQNSJZQPONN-JXFKEZNVSA-N 436.947 4.569 30 10 IJEE COc1cc(/C=N/N=C2/S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 1615300735 ZZRWYGJIIRBPEL-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE C=C1CCC(C(=O)N2CCOC[C@@H]2C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1617381187 BNMKIKTUDBLARD-SFTDATJTSA-N 440.584 4.889 30 10 IJEE COC[C@H](C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N 1619572410 AVRZSHXUSQHGIC-ZTFGCOKTSA-N 433.984 4.709 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)c2ccc(NC(N)=O)cc2)cc1OCC 1620787517 BCDWGJAKSUPVTD-CQSZACIVSA-N 448.361 4.754 30 10 IJEE CCC(CC)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1cccs1 1621676443 BJBGBFBKMXJJTQ-KRWDZBQOSA-N 427.389 4.838 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 1624366926 XYIFUHQHWATFRO-RPWUZVMVSA-N 432.564 4.662 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 1631213839 PRCGQRFCFWEZKJ-QFIPXVFZSA-N 434.609 4.920 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCOc2cccc(Br)c2)n1 1631496469 GCCFMGBCDQVHGA-UHFFFAOYSA-N 445.704 4.567 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1F)c1ccc(C(F)(F)F)cc1 1633471873 WAPGHRHDOPAERL-WOJBJXKFSA-N 449.448 4.735 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCc3c(Cl)ccc(Br)c3C2)cc1Cl 1634681582 BYDYFSRLYMUJAL-UHFFFAOYSA-N 439.140 4.895 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 1635553084 DGQPNGPCHVSEIB-UHFFFAOYSA-N 443.528 4.854 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2COc3cc(F)ccc3C2)cc1 1637082739 ABKHNCSERVZOAL-HSZRJFAPSA-N 433.458 4.552 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2c(C)nn([C@H](C)CC)c2C)[nH]n1 1640483499 OHIXOKRYPCCZRB-QGZVFWFLSA-N 437.592 4.857 30 10 IJEE C=CCN1CC[C@@H](Sc2nnc(-c3cccc(C)c3)n2-c2ccc(OCC)cc2)C1=O 1640593549 GFKOLNAQIOYBLW-OAQYLSRUSA-N 434.565 4.520 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C(F)(F)F)CC[C@H]2C)n(-c2ccc(F)cc2)c1C 1645250911 FNOIGKRMEBYDFW-CJNGLKHVSA-N 436.453 4.706 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CCCC1(C)C 1649411665 DONZVJSVGLNCMD-QFBILLFUSA-N 425.495 4.940 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCO[C@@H](C)C3)cc2)cc1OC 1650703741 KWVOXJFESVHURJ-INIZCTEOSA-N 447.373 4.860 30 10 IJEE N#Cc1cccc(Oc2ccnc(Oc3cccc(NS(=O)(=O)c4ccccc4)c3)n2)c1 1650768969 DVRLSXBQPZONTD-UHFFFAOYSA-N 444.472 4.734 30 10 IJEE C=CCn1c(SCCCC(=O)N2CCCCC2)nc2sc3c(c2c1=O)CCCCC3 1651548789 PUHHQGAHINJANE-UHFFFAOYSA-N 445.654 4.798 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](COc2ccccc2)c2ccccc2)cc1C(F)(F)F 1654079254 IFFWYKUNBJULLT-NRFANRHFSA-N 446.450 4.676 30 10 IJEE C[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)Oc1ccc(Br)cc1 1655181735 GXYLIQNQJCZKMK-AWEZNQCLSA-N 425.286 4.782 30 10 IJEE C=CCn1c(SCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc2sccc2c1=O 1656077164 UNIMMHAWETVXDS-UHFFFAOYSA-N 448.635 4.508 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@]2(CO)CC[C@@H](C)c3ccccc32)cc1OC 1657132241 SLPWJHWZMMYBTF-WAIKUNEKSA-N 446.385 4.897 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N 1663277209 ADMYDWFDRRYLOP-YWZLYKJASA-N 433.371 4.559 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N3CC(F)(F)OC(F)(F)C3)cc2Cl)c1 1666747775 GYOCDUBQJPDVFU-UHFFFAOYSA-N 443.784 4.840 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccc(Cl)cc1 1667767307 IADVJFKNCJJCSM-QHCPKHFHSA-N 431.923 4.809 30 10 IJEE CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 1671736122 GFWXLJRNBXAMAP-HXUWFJFHSA-N 445.336 4.761 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@H](C)CCC[C@H]2C)C1 1672894051 CAAYVJGHJMVISI-KZNAEPCWSA-N 429.561 4.537 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCC[C@@H](O)C3CCCC3)cc2Cl)c1 1674192735 FYXCTYBDAAKVNW-OAQYLSRUSA-N 427.932 4.853 30 10 IJEE C=CCCC1(CNC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CCCC1 1674373012 WPPINLMQWQBOKB-HZPDHXFCSA-N 433.515 4.610 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1c(C)cc(Br)c2ccccc12 1675262245 STGHFSLVZWCGSK-UHFFFAOYSA-N 431.330 4.720 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)cc1C#N 1675822623 DPLBYCISOPYRCF-UHFFFAOYSA-N 438.875 4.918 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1676242342 IXTNICBEYXBPJK-SANMLTNESA-N 428.532 4.833 30 10 IJEE C=CCc1cc(CNC(=O)N(C)[C@@H]2C[C@H](OCC)C23CCCCC3)cc(OC)c1OC 1676274834 JCMBQOKKWBWALX-YADHBBJMSA-N 430.589 4.702 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1 1677935013 XHNMOTXBNBYZDU-UHFFFAOYSA-N 427.448 4.949 30 10 IJEE C#C[C@H](NC(=O)NCc1ccnc(OC2CCCCC2)c1)c1ccc(Br)cc1 1678120184 KJPCWEBYTTXXHE-FQEVSTJZSA-N 442.357 4.729 30 10 IJEE Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 1680622439 GAZNSABYQXQXKJ-STTLMXHVSA-N 432.568 4.929 30 10 IJEE C=CCSCCNC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1680841666 DSRQQDKJTLATSA-UHFFFAOYSA-N 434.359 4.742 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)c1ccc(Cl)cc1F 1681334679 YGIIVOOZSXBNEZ-PKTZIBPZSA-N 443.950 4.688 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682181588 UBPRSWRBMWQVGO-VQTJNVASSA-N 433.637 4.883 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1685043674 WOSKUYRONQYUHD-OAQYLSRUSA-N 430.545 4.507 30 10 IJEE CCC(CC)(CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 1686929315 HJHGLPGPNFFOQP-UHFFFAOYSA-N 436.575 4.719 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1689900971 WQMBCIDCIGABRF-UHFFFAOYSA-N 436.600 4.871 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(F)(F)F 1690089500 CKBYHPXMAXEQEG-KRWDZBQOSA-N 438.469 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCCSC 1690248144 KVLHPOQUWWADLI-RXVVDRJESA-N 435.037 4.693 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)C(C)C)CC1 1690406672 OCNQQDBWQOGGPW-NRFANRHFSA-N 433.394 4.517 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCc2c[nH]nc2C)CC1 1690415596 RBQKLCXPMOGLPT-UHFFFAOYSA-N 434.588 4.541 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2ccc(Br)cc2C1 1690432513 FWHSEHFFJHVMJA-QGZVFWFLSA-N 445.405 4.710 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](NC(C)=O)C1 1690455886 PNPCDFOPBCALKU-YLJYHZDGSA-N 441.645 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690517978 WEHKDLFQUCMHHF-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CCC(=O)N1CCCCC1 1690567999 XEQGGBDCZNFUEU-LJQANCHMSA-N 427.568 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CC[S@@](=O)C(C)(C)C 1690575882 FBJUCFBTRDEPNQ-SSEXGKCCSA-N 446.617 4.886 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690683127 BQIHRNDWDDOUPJ-NRFANRHFSA-N 426.605 4.874 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1690687110 YTOSEMYDUOBBFX-QZTJIDSGSA-N 440.485 4.978 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCC[C@H](SC)C1 1690748837 IVJUHMXFUCJMCA-IBGZPJMESA-N 432.659 4.519 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC2CCCCCC2)[C@@H]1C 1693727164 HOTJRBNSIKAWTJ-VQTJNVASSA-N 437.588 4.703 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1csc(Br)c1 1705527013 PIPUNWRPOGQJLX-UHFFFAOYSA-N 440.370 4.691 30 10 IJEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705580933 UFWKIWFWWSYCPD-PXNSSMCTSA-N 439.485 4.868 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)OC1CCCC1 1705710297 WVDCGHQRLNRXQU-YKSBVNFPSA-N 440.588 4.766 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1705765775 ZZMVIHCSXQMUDP-HXUWFJFHSA-N 429.012 4.660 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[C@@H](C)N2CCCCC2)CC1 1705771375 QZEIHPAKJKXHLG-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(F)cc(F)c1 1705812845 NLMKHITVBJZYQH-UHFFFAOYSA-N 436.304 4.917 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC(C)(COC)CC1 1705815503 YNGDUMLFVJPIQU-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(=C)CC1 1705826971 ONSRAVXPDRWZIK-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1 1705857618 YIWRNNOAKPTJIU-PMACEKPBSA-N 447.583 4.745 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC1(SC)CCOCC1 1705859533 SVAOKBRRKLLQCN-UHFFFAOYSA-N 438.597 4.951 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)CC1CC(F)(F)C1 1705912940 ZEOIFSKOIKXEDH-UHFFFAOYSA-N 439.510 4.743 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1705942371 QEIINKJZRVVYSY-MJGOQNOKSA-N 430.618 4.896 30 10 IJEE CC(C)c1ccccc1OCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1706267656 BADRYGOWQAFQSE-RCZVLFRGSA-N 437.588 4.852 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1706743784 FLZIIDOMGNPGKT-CVYDXHPNSA-N 428.378 4.882 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cc(Cl)ccc2OC(F)F)n1 1707577600 AHOWIKSRRZKNJZ-AWEZNQCLSA-N 446.889 4.690 30 10 IJEE Cc1csc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)c1 1707727280 ATYUSNVQNPJVQN-LJQANCHMSA-N 439.610 4.631 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@H](SC)C(C)(C)C)c1 1722306119 YGBJYBOYKCVFLB-XLIONFOSSA-N 441.645 4.626 30 10 IJEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1722335785 YXSALKUMDITFEU-UHFFFAOYSA-N 443.595 4.665 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](CC)C1 1722454666 OHTFCGQOAZBCSQ-LJQANCHMSA-N 442.629 4.734 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@@H](C)CCC 1722479910 JHYKDIKHZKMMPE-AWEZNQCLSA-N 437.382 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)C[C@H](C)CC 1722495385 HGJSAFDIEWRVBW-RFWXGWTQSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CC(C)(C)OC(C)(C)C1 1722510534 SGZSJPXLVAXPFC-GGAORHGYSA-N 438.616 4.552 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccco1)C(C)C 1722511216 XWDKCAQRRGPIAJ-XMSQKQJNSA-N 441.601 4.623 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC)C1 1722531840 YVXKYLQQGXRBQV-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCN2CC)CC1 1722564409 PKXDVAQSFWWROJ-UXHICEINSA-N 427.568 4.588 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1722595810 VSQZSRKBKLPQHG-OZXSUGGESA-N 449.599 4.728 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1722629872 ZLVOIRXWVMANIK-UHFFFAOYSA-N 426.586 4.705 30 10 IJEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1722689297 RJPGCBIDUGHESJ-FGZHOGPDSA-N 447.583 4.619 30 10 IJEE CC(C)SCCn1c(N2CCC(Oc3cccc(C#N)c3)CC2)nnc1C(C)(C)C 1723735915 HDVFXRKABDMVKN-UHFFFAOYSA-N 427.618 4.637 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN(C)C1CCCCC1 1723771113 CWSGVFDGBPBAHW-LJQANCHMSA-N 433.604 4.819 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1726962507 BUISIGOJAMKKJI-IXFSTUDKSA-N 432.613 4.567 30 10 IJEE C#CCCCCn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1c(C)cc(Cl)cc1C 1740579431 SBWLSIBXXCPSHX-KRWDZBQOSA-N 426.952 4.969 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCCOC1 1740581545 ZZMCEAHPZCRDFN-PMACEKPBSA-N 445.007 4.965 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](OCCC)CC1 1740584392 GHYIAXSPYXHWBX-UXHICEINSA-N 428.552 4.756 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC1(c2ccc(OC)cc2)CCC1 1740656159 IRXLANCNKASVLI-UHFFFAOYSA-N 430.596 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1Cc1occc1C 1740727558 QCJBSHXLVFZFCF-OAQYLSRUSA-N 443.320 4.789 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1740751972 QIZQWFYXMAWFRB-AFYVEPGGSA-N 429.634 4.922 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC1CCCCC1 1740760023 NQXYQRPXCMYORW-RCZVLFRGSA-N 438.616 4.875 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CCc1cnccn1 1740780269 PDRYXCNXMLLZJH-UHFFFAOYSA-N 434.544 4.858 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(C(F)(F)F)n2)CC1 1740829789 KBLGXTONHYZBMT-IEBWSBKVSA-N 449.521 4.815 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCc2cccc(Br)c2C1 1740888860 JSZPDMBUENXFNY-MRXNPFEDSA-N 433.394 4.710 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740903806 MAFJAWUKLWUPHJ-CLOONOSVSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCCC1 1740917481 UELGKMHCDCFLGK-UHFFFAOYSA-N 430.556 4.698 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](CC)C1 1740998296 MENYTZSPQXOWPM-INIZCTEOSA-N 439.050 4.858 30 10 IJEE C=Cc1ccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 1749322388 GNTCLXYFBYMONW-OTPAQWSUSA-N 437.563 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1749373178 GQPNVDLQXFVBLB-FQEVSTJZSA-N 437.632 4.725 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2)CC1 1749406635 KVRXBQXNGBFYMA-UHFFFAOYSA-N 448.615 4.540 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1749421197 MZSNKRJSINVTAQ-HXUWFJFHSA-N 429.927 4.620 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CC(=O)NC1CCCCC1 1749541553 RYKGBCSMVHRRGL-SFHVURJKSA-N 427.568 4.572 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1749545163 VWHITXXESBJRRN-REWPJTCUSA-N 444.595 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@]1(C)CCCS1 1749553089 NAUBANKIALBEDC-QFIPXVFZSA-N 425.627 4.804 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CCC)CC1CC1 1749652447 ODTPZKHICROIDX-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1749761275 ZQLYCQQPKCTMLL-HXUWFJFHSA-N 437.613 4.807 30 10 IJEE CC(C)(C)c1nc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1751276969 GRKJTHLOJFSKLS-MBSDFSHPSA-N 442.633 4.646 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1760140249 HJMMZVLCXPANES-UHFFFAOYSA-N 427.596 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1760295276 BMBRTEGKMJIFNU-NGYIFUPDSA-N 425.646 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1c[nH]c2c(C)cccc12 1760340589 FZPJYMACGMYWOB-UHFFFAOYSA-N 431.588 4.575 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760347300 QAVIYRNNSNRTLR-IFMALSPDSA-N 445.007 4.975 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1760352796 YHMFCESIZRKVST-GOSISDBHSA-N 446.567 4.544 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1ccc(F)cc1 1760417218 YQXBDAOQJMPKPA-LMNJBCLMSA-N 430.568 4.941 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760435349 GQWOJOXLTWOZNY-NRFANRHFSA-N 425.596 4.999 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CC2(CCOCC2)C1 1760456310 LQZJCQJTEJALDB-KRWDZBQOSA-N 430.980 4.901 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccsc1 1760481532 BGOAQTDJFQWRNT-XMMPIXPASA-N 431.565 4.502 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1N(C)CCCC1(C)C 1760488651 AWXOGQJPYPYLGD-KNQAVFIVSA-N 441.595 4.856 30 10 IJEE Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=NNc4ccc([N+](=O)[O-])cc4)C2=O)C3(C)C)c1 1772722211 HVEAOBPKCRETAI-BJKOFHAPSA-N 434.496 4.705 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nnc(C)s1 1772736771 JDJWVBGJIWJMTQ-RHCVXJPWSA-N 441.494 4.639 30 10 IJEE C=CCNc1nc(-c2ccnc(NCCOc3ccc(OC)cc3)c2)cc2cnccc12 1857817181 ZZHDVNPRUMHUMM-UHFFFAOYSA-N 427.508 4.789 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)CCc1ccc(OC)c(OC)c1 1861081813 ARVMYPNKMUUYIM-NRFANRHFSA-N 434.621 4.788 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2cccc(O)c2)cc1 1862389373 DOXPVTRFOIPMGW-QHCPKHFHSA-N 437.536 4.740 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1 1862411369 FZEPPQNVUUXQKI-YIILKADPSA-N 427.447 4.827 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 1862468501 QFJHKLCCHRDHLG-KZULUSFZSA-N 432.289 4.965 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(O)cc1 1862523887 RRAMPCAHJMIOFF-SFHVURJKSA-N 430.298 4.533 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1)c1cccc(O)c1 1862588307 MTJUBYQSAPMYGW-XMMPIXPASA-N 438.483 4.695 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862603100 RBVRVHJJBDJUEX-DEOSSOPVSA-N 443.499 4.960 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Br)cc2)cc1F 1862646224 AJAYKBANHXILCD-GOSISDBHSA-N 448.288 4.584 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725786 RWQUPOLWFVIPJJ-HJPURHCSSA-N 447.918 4.966 30 10 IJEE COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)cc3)C2=O)cc1Cl 1862888296 WTOVKRBEZRNBBS-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE Cc1ccc2nc3c(c(C(=O)Nc4c(C#N)c(-c5ccccc5F)nn4C)c2c1)CCC3 1866274520 CFCKLBISYKXYGH-UHFFFAOYSA-N 425.467 4.696 30 10 IJEE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866817764 MWTVJQHVLFVFSM-MMYRTMNYSA-N 443.934 4.981 30 10 IJEE CC(C)[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(F)cc1 1866971070 IYKRGRJEAJWNOP-DNQXCXABSA-N 429.495 4.933 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1 1868723339 CBUYINWKXBGJPL-DHIUTWEWSA-N 426.507 4.582 30 10 IJEE C=CCOc1cn(Cc2ccncc2)c(CSc2ccc(Br)cc2)cc1=O 1870244153 BZUVQACCSNUPMI-UHFFFAOYSA-N 443.366 4.911 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1871009354 QTXPTVRABLZKER-UHFFFAOYSA-N 446.547 4.627 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(F)cc1 1871148548 SGOOXXCTEDMPGU-UHFFFAOYSA-N 432.536 4.902 30 10 IJEE O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CO1 1871352968 JPLZHIYKFIXWFG-NJRZQCOKSA-N 435.545 4.600 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)c(OC)c1 1871364128 HQAIJLJMKDSDQJ-QRVIBDJDSA-N 446.455 4.613 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 1871460440 MKCWFJXRAGCSLY-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871461086 UYDXXFRLXBAAPH-ODLFYWEKSA-N 444.325 4.621 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872267579 IUKVXIBJFWAERL-XMSQKQJNSA-N 432.561 4.754 30 10 IJEE CCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)[C@H](C)CC 1872605284 RBZUTDBENSPVBI-OXQOHEQNSA-N 447.041 4.518 30 10 IJEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c1 1872788641 MYPXFDPRQBEMHV-QGZVFWFLSA-N 428.897 4.979 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c(OC)c1OC 1872788927 UMCNWYDXRDKVQV-DKISHCGFSA-N 438.480 4.865 30 10 IJEE C=CCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1873094109 LNDFVELMZGPXPP-UHFFFAOYSA-N 445.346 4.545 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1O 1874217460 CCPVXUWWHDRPKZ-FOKLQQMPSA-N 444.944 4.699 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874254031 SHPUIBJOBTXYDJ-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE Oc1nc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)nc2ccccc12 1874429575 PZKSMPDBFABWQQ-MFKUBSTISA-N 438.516 4.768 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1ccccc1Cl 1874472578 MGYWFMBLKHAHIX-BUVRLJJBSA-N 442.972 4.860 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1F 1874481804 OPGNIXQFPMDWJG-DHRITJCHSA-N 439.560 4.945 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)c1OCC(N)=O 1874584820 CMHPDWDDYVJVNE-FMIVXFBMSA-N 437.879 4.901 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1 1875151013 PYBWLZUDFGUTHI-RUDMXATFSA-N 431.400 4.747 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)c1cc(Cl)ccc1I 1922069293 PMKIUDAKNQIZCY-GOSISDBHSA-N 427.713 4.978 30 10 IJEE N#Cc1ccc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(F)c1 1951397542 ZGZXVFRNAWQCMJ-XMMPIXPASA-N 444.462 4.622 30 10 IJEE CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C(=O)O)on1 1952192725 RKTNPXSBICXZCR-HXUWFJFHSA-N 438.505 4.661 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C=O 1985148975 YBQFYQBSMFKVCU-OSWQYVSFSA-N 448.563 4.520 30 10 IJEE C#CC[C@@H](C[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC)C1CC1 2020083855 XDQVWJXFKLQBCN-HJOGWXRNSA-N 428.617 4.904 30 10 IJEE C=CCC1(Nc2nc(Cl)ncc2Br)CCN(C(=O)OC(C)(C)C)CC1 2044079192 IBPJAKXAIPCDHC-UHFFFAOYSA-N 431.762 4.650 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2060620921 HFUKUQYQXXSUPA-UHFFFAOYSA-N 430.354 4.697 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)cc1F 2079111995 NGJOKOROSVCZOF-JDYBYSMLSA-N 441.288 4.866 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100156594 NKZTZLPXKYAOFG-DNQXCXABSA-N 435.417 4.802 30 10 IJEE N#Cc1cc(N[C@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)ccc1Br 2156289485 UFTSEXGUHVAYRQ-IRLDBZIGSA-N 426.358 4.556 30 10 IJEE C=CCC1(Oc2c(N)cnc3ccc(Br)cc23)CN(C(=O)OC(C)(C)C)C1 2198795721 JOOKYZNQMSEYIS-UHFFFAOYSA-N 434.334 4.524 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#Cc1ccc(Cl)cc1 2212498449 MTKLTGKQWMJEOV-WTOYTKOKSA-N 428.960 4.517 30 10 IJEE Cc1sc(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c(Br)c1C 2237679740 GMEPSNSWLYIHBP-DJJJIMSYSA-N 440.212 4.826 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)(C#N)C1 2243918422 GFCYBLYQKMBIHS-ZADXLRFVSA-N 445.563 4.748 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3cccs3)cc2)OC1(C)C 2255698102 GDBSDNNROULRGK-UHFFFAOYSA-N 433.382 4.890 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2267171691 NXOBPVBDEHUHHC-ROUUACIJSA-N 442.365 4.632 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)n1 2282553806 UPEWEOHBELXJSF-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@@H](N)CC#CC1CCCC1 2289841785 JNVRVPTWNFFYRC-VQTJNVASSA-N 435.406 4.796 30 10 IJEE CCOC(=O)c1ccc(N=C2SC(=Cc3cc4c(cc3C)OCO4)C(=O)N2CC)cc1 2293769009 JJLYNWVIJDTCDV-UHFFFAOYSA-N 438.505 4.524 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1C=CCCN1C(=O)OC(C)(C)C 2296221788 LTHOFXFMHNBWOD-VQTJNVASSA-N 433.390 4.734 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1cccc(I)c1 2296252208 WIEWGVYVSINZFU-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C 2296289192 PALUZDGZYYHGFU-OXJNMPFZSA-N 445.348 4.717 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 2296305414 TYCFTNQURIFLHJ-UEUGHCDMSA-N 435.406 4.862 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)c3cccs3)ccc2C1=O 2296867366 KKTPBNXPPLOFFQ-UHFFFAOYSA-N 438.457 4.609 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 2296926568 UQLQICAJUHQNDN-QHCPKHFHSA-N 442.471 4.568 30 10 IJEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)C1 2321157932 AIOFEMBDZGOJSR-NTKDMRAZSA-N 445.560 4.655 30 10 IJEE CC(C)[C@@H]1C[C@@](O)(C#Cc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321515538 PCWHIYBXAPASMH-GMAHTHKFSA-N 442.353 4.599 30 10 IJEE CCCNC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OCC)cc1OCC 2322922307 CWGSROLCQOCJEX-UHFFFAOYSA-N 445.943 4.939 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2Cl)cc1OCC(=O)NCc1ccco1 2323087126 KOCZEEWYNXKNDL-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SC)cc(Br)c1OCc1ccccc1 2323561940 KIKRKOKDHSFWBD-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O)C(=O)Nc1ccccc1 2324398475 QZKUDCNNRIITBM-OAHLLOKOSA-N 430.416 4.617 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2325740260 ZUZJLZQNCVJITP-UHFFFAOYSA-N 428.488 4.695 30 10 IJEE OCCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(F)c1 2326618445 QCTSOGYGFWXWLB-UHFFFAOYSA-N 434.540 4.712 30 10 IJEE CCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCC)cc1OCC 2329729136 PXWWDMQEFDFHGM-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(C)cc1 2330288151 NANYYYRHWZXPOU-VWLOTQADSA-N 436.596 4.918 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1cccs1 2331404973 AASKEAVJHCDWSB-UHFFFAOYSA-N 436.485 4.572 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)c(OC)c1 2331492996 JINMFUXIZXPOCW-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1OC 2331608910 VHGGBSZJKNTFHW-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)c1 2331728839 NVMMWYLJXHWVST-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339538848 YCVPJIXRHOKZIL-UHFFFAOYSA-N 445.413 4.808 30 10 IJEE Cc1scc(CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1Br 2343707260 BISDAIBJEBMFPU-UHFFFAOYSA-N 443.603 4.779 30 10 IJEE CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1ccc(Cl)cc1 12648206 GBIOZLXFAVQGNC-IPQBESIJSA-N 443.956 4.913 30 10 IJEE CC(=O)O[C@@H]1CC[C@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(C)=CC(=O)[C@H]2C1(C)C 13485706 TXEAVXYHQMQTHQ-DIAUMFQFSA-N 438.520 4.691 30 10 IJEE biogenic Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(F)cc2)NCc2ccccc2Cl)n1 14156809 KRQYORMKQRQMFF-UHFFFAOYSA-N 442.951 4.841 30 10 IJEE COc1ccc(OC)c(/C=C\C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c1 34955425 IVXCIAOWZXLCIU-UVTDQMKNSA-N 448.471 4.836 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)c1ccc(F)cc1 35765532 WDTYDFOCTUUVDF-UHFFFAOYSA-N 438.474 4.723 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cccc(I)c1 41641712 VMQRFQSSANFGKE-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE C=CCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(CCCOC)c1C 43251653 JRHRLGWNASOLHS-UHFFFAOYSA-N 425.554 4.548 30 10 IJEE CCN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2F)C1=O 59490318 BOUAKAQOOAFLIW-INIZCTEOSA-N 440.327 4.795 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F 170072263 GBHNVTNSVMCTGK-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2C[C@H](C)O[C@H](C)C2)C1=O 170095003 MCCKZBSEQXMWDR-OYRHEFFESA-N 426.601 4.853 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141011 SBCPBDABTFJJSX-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)cc1 170162872 WDHFXLQYOKDQOP-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170183111 DABJCRSPDUXFRL-JOCHJYFZSA-N 430.529 4.800 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)ccc1Br 170188024 OCYMLINKLYVIEQ-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1 170190651 RGOVWASXDMXXRM-QHCPKHFHSA-N 439.471 4.525 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(O)c1 170263610 ABXIXLKUTPKJJM-OAQYLSRUSA-N 435.476 4.916 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1C(C)(C)C 170292558 XCOMFUZRTJEKBN-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2)ccc1OC 170337112 ISYXBZPMNZGIGO-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1cc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccccc1 252427005 QSEYNUDVAPFBDJ-UHFFFAOYSA-N 427.504 4.823 30 10 IJEE CCOC(=O)c1sc2ncn(N=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)c2c1C 254657191 JBPWNNGFGBMMJZ-UHFFFAOYSA-N 448.548 4.541 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 508746518 KPXZNTGSNAEGFQ-NDIWIEOSSA-N 448.567 4.532 30 10 IJEE CCOc1cc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)ccc1OC 526817517 ORUBLWPQQYWPQO-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2cccc(C(=O)OC)c2)c1 526826445 QNVFQGFIAUQSQS-IWIPYMOSSA-N 438.553 4.727 30 10 IJEE CCCOc1ccccc1/C=N\n1c(C)nnc1SCc1ccc(C(=O)OC(C)C)o1 526831555 QMRZPZNHUFUWRR-QRVIBDJDSA-N 442.541 4.708 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc(C(F)(F)F)cc1 542410544 QTHZEWMLJFUOGZ-PMACEKPBSA-N 446.473 4.603 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H](c2ccccc2)O1 549954277 BQMBYQKFWJEHEA-JPYJTQIMSA-N 441.560 4.893 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F 567481504 YQPVFVMSWCHODJ-QRQLOZEOSA-N 447.929 4.546 30 10 IJEE CCCCCOc1ccc(C=NNn2c(S)nnc2-c2ccc(OCC)cc2)cc1 585657401 PVKFYGAYKQBFDD-UHFFFAOYSA-N 425.558 4.779 30 10 IJEE C#CCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143408 DRTLWMFUFKYCNP-UHFFFAOYSA-N 443.609 4.648 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(Cl)cc1 586246693 YMSIVOTVEPQGLV-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@](C)(C#N)c1cc(Br)ccc1F 698436927 JIRTULTZGACMIM-AUUYWEPGSA-N 427.314 4.743 30 10 IJEE CCCN[C@@H](CC#CCOC)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 698996170 MHVGCRWKDNVZBX-SFHVURJKSA-N 425.367 4.877 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCCC 701328921 IQYURGITHXLUGO-CVEARBPZSA-N 445.348 4.555 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)c1 728536898 KXPJEFREJLPMBQ-ZCXUNETKSA-N 430.529 4.747 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCCCC[C@H]2c2ccco2)cc1OC 736582020 OTIAMMOSZCVQAA-FQEVSTJZSA-N 428.529 4.962 30 10 IJEE COc1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)cc1C#N 747498795 SQROCZZCZBRROS-QGZVFWFLSA-N 445.544 4.675 30 10 IJEE Cc1oc(NC(=O)COC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c(C#N)c1C 764047793 CEXZWAXVHCENCW-CHHVJCJISA-N 426.778 4.549 30 10 IJEE C=CCC[C@@H](C)OC(=O)CCCc1nnc(-c2ccccc2I)o1 772781195 DZXHNEFDQWKNSS-CYBMUJFWSA-N 440.281 4.562 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1ccsc1Cl 790367412 MGPNWYYPRRKNHS-CQSZACIVSA-N 427.776 4.683 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)CCCN1C(=O)OC(C)(C)C 790698159 IELSXIQJXYZZQU-MWTRTKDXSA-N 432.565 4.640 30 10 IJEE COc1ccccc1N=C1S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1C 1083919358 AXCJOCINWMQDAZ-INIZCTEOSA-N 438.336 4.592 30 10 IJEE COc1ccc(CN(C(=O)COc2cccc(Br)c2C#N)[C@@H](C)C2CC2)cc1 1124756333 GOLZKBXOKZURBN-HNNXBMFYSA-N 443.341 4.535 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 1125636592 PDXUXBUVCRQHTG-UHFFFAOYSA-N 425.697 4.816 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1125657624 LPEPFDGLBPTFGW-BEFAXECRSA-N 427.369 4.983 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1126327018 HXDWNAIOASLBEJ-BVZALQNUSA-N 436.980 4.878 30 10 IJEE C#CC[C@@]1(C(=O)N2CC=C(c3ccccc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1127320754 OEWWDRLYUYLFSM-DEOSSOPVSA-N 428.960 4.749 30 10 IJEE C#CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@H](C)O[C@H]3C)cc1 1128130254 XDHMPDPJQKEJFG-GJZGRUSLSA-N 441.549 4.990 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1ccc(F)c(F)c1 1128248896 JXVFIAHEKGQPPV-AOMKIAJQSA-N 448.535 4.575 30 10 IJEE Cc1nc(SCC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)c(C#N)c(C)c1C 1128390854 CPZIXALKVWTLEG-UHFFFAOYSA-N 431.974 4.725 30 10 IJEE C=C(CC)CNC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl 1129714263 MTSKVVDQQDPHER-UHFFFAOYSA-N 441.380 4.905 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCC[C@](F)(c3ccccc3)C2)nnc1-c1ccco1 1132703687 SWTIVUBTEQUQED-HSZRJFAPSA-N 440.544 4.694 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 1138322667 QNLPQHQMKURFHO-SFHVURJKSA-N 441.494 4.753 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3c(Br)cccc3C2)cc1OC 1143054872 AUFPYXSRZISYTE-CSKARUKUSA-N 428.326 4.621 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)cc1OC 1146682393 YWCWJAUENNNAQX-FLIBITNWSA-N 429.557 4.634 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2ccc(F)cc2C#N)CC1 1175453076 ICMZRCQFNKYSCW-IBGZPJMESA-N 428.511 4.514 30 10 IJEE CC[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1187798846 BPKKSDUIZGIXMC-OALUTQOASA-N 433.371 4.668 30 10 IJEE C=CCn1c(SCC(=O)N(CCC)CC(F)(F)F)nnc1-c1cccc(Cl)c1 1189025474 UVNZEKZEXBZMIB-UHFFFAOYSA-N 432.899 4.678 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 1199787359 RELAXQVHIVYAHT-KRWDZBQOSA-N 433.430 4.587 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(CC)CCOc1ccc(Br)cc1 1201298536 OJKHBYZUQMGDLG-UHFFFAOYSA-N 435.293 4.533 30 10 IJEE C#Cc1ccc(CNc2ccc(OCc3cccc(Br)c3)c(C(N)=O)c2)cc1 1203698371 IREWRGLQUWOLTR-UHFFFAOYSA-N 435.321 4.720 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)cc1 1220351487 YPDMOFVSTDQLQE-GOTSBHOMSA-N 449.551 4.591 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCCc2ccccc21 1226593711 NOPVKYGJUAVBJA-SJBKTWHCSA-N 425.573 4.545 30 10 IJEE C=CCCC[C@@H](NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)c1ccccc1 1246652397 JGRFOCKMGQUJQJ-WOJBJXKFSA-N 432.973 4.907 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 1251244350 ZJGZUCSWBRBDDZ-DYXWJJEUSA-N 445.357 4.580 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)CCCCC1 1272726090 QGWGXOLOGHJOOY-UHFFFAOYSA-N 426.582 4.829 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@@H](C(C)C)C1 1286316140 SCRHZBAVIUDPOY-LJQANCHMSA-N 434.556 4.928 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(CC)CCOCC1 1286518994 ORGPTFDJZIUSRS-NTKDMRAZSA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccc(N(CC)CC)cc1 1286525337 PUGRRPNHXOEQLJ-RUZDIDTESA-N 448.640 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1cn2ccccc2n1 1286568305 SNLDTKBVQFUNLG-LJQANCHMSA-N 448.546 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](c1cccs1)N(C)C 1286580715 CRRKFRFWKTVNBN-HXUWFJFHSA-N 445.583 4.914 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286674195 AIHZAHIYKJAONX-UNMCSNQZSA-N 437.632 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286674692 UHZDVNDLMKWZNO-LJQANCHMSA-N 442.608 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(F)cc1 1286675811 UGUKYGIJKIRSSQ-UHFFFAOYSA-N 441.576 4.647 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1286735920 SGXPMYKFRQRZFD-UHFFFAOYSA-N 433.503 4.856 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1286769479 YDPJECDYKXVLSY-MSOLQXFVSA-N 438.597 4.502 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)C[C@@H](C)C#N)n3CCc3ccc(O)cc3)cc2C1 1286960085 CCGLYAFHHBNJAN-IRXDYDNUSA-N 435.597 4.676 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1cc(I)cc(C(F)(F)F)c1C)OCC 1288710234 PYAZANLMZPTTOV-AWEZNQCLSA-N 441.231 4.928 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(CC)(CC)SC 1300597754 SJKXLGTVRQHMPQ-UHFFFAOYSA-N 427.618 4.529 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cccnc1OCCCC 1300621745 VDLKYILNYMODIX-UHFFFAOYSA-N 442.567 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C/C=C/c1ccccc1 1300788756 LJHZGTMFQDCIGS-ICKBMGCOSA-N 436.357 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CCSC 1300873419 GBYPZZOAZASADP-IEZWGBDMSA-N 436.025 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCc1sc(C)nc1C 1300918400 ZQXMTDWZNMPMPR-UHFFFAOYSA-N 431.556 4.866 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Oc1ccccc1F 1300918590 BEEAVPIKPGIBRF-MRXNPFEDSA-N 429.565 4.643 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)c(Cl)c2)CC1 1301089535 YRLBFQAMRSUSSC-UHFFFAOYSA-N 429.977 4.501 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1301095693 MAUHNRCSUAJGEP-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1301119595 OTHMSRPJVVAKHJ-UHFFFAOYSA-N 439.604 4.913 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCC1)c1ccccc1 1301167755 FSYIULGVYLTTOG-IBGZPJMESA-N 435.597 4.618 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(F)(F)C1(OC)CCOCC1 1301280370 JABOMGFHAXWGQD-UHFFFAOYSA-N 448.558 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1301420982 MTQZAAYPUDVHAT-MOPGFXCFSA-N 433.478 4.749 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F 1301603480 AIVQWBSKOZJHFT-UHFFFAOYSA-N 433.503 4.915 30 10 IJEE N#Cc1ccc(OCc2nnc(N(Cc3cccs3)C3CC3)n2CC(F)(F)F)cc1 1302991162 CDZCJNAOWLHPSH-UHFFFAOYSA-N 433.459 4.522 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)OC 1305700726 BEPIKHZJHLTYAI-XMSQKQJNSA-N 439.604 4.662 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)cc1 1310132692 VMRAEGIEVRERRQ-XZOQPEGZSA-N 441.597 4.602 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C12CCCCC2 1310465711 CSGGUJRNGICQRA-WOJBJXKFSA-N 441.963 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl 1310499106 QXJDUQISNOADAP-ACJLOTCBSA-N 442.869 4.956 30 10 IJEE COc1ccc(CCNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 1310583323 HSCBFZUJIXYAQT-INIZCTEOSA-N 438.343 4.998 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1)c1ccc(Br)cc1 1310778381 LTBJPOXXGGRTCY-WVFSVQOHSA-N 440.341 4.706 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1C)c1ccccc1 1312334042 GPKBZNUGDDRSDB-GCJKJVERSA-N 445.401 4.915 30 10 IJEE CCCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1313508530 HPLZIFWLGDFUSN-MHECFPHRSA-N 425.577 4.767 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 1348126532 GRVKHESANWPSFJ-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE COC(=O)Nc1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)ccc1F 1350761307 FTJIMTOIXDBFTN-UHFFFAOYSA-N 433.439 4.901 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2ccccc2O[C@H]2CCOC2)cc1 1355151346 BAJLILFIYMPHST-VWLOTQADSA-N 444.506 4.637 30 10 IJEE C=CCc1cc(CNC(=O)c2csc(Cc3ccc(F)cc3)n2)cc(OC)c1OC 1356304736 MAUBEVKQAMHSBD-UHFFFAOYSA-N 426.513 4.549 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 1357176585 SRCDGYDUOQOIRD-PMACEKPBSA-N 438.543 4.822 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C2(Cc3ccc(F)cc3)CC2)c(C(=O)OCC)c1C 1357817978 SOJLTCHBKNVOQL-UHFFFAOYSA-N 445.512 4.677 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[C@H]1CCCCO1 1358880013 CJYAAAWCAJBNOB-TZIWHRDSSA-N 440.588 4.548 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2ccc(F)cc12 1358900733 RDDXVEFXFKTSAU-ZWDAVXSWSA-N 437.563 4.518 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOCC)CCC1 1358943824 XFLUTPRGUILTAM-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2CCCCC2)CC1 1359039109 XFFIXSNLBYDDAB-UHFFFAOYSA-N 449.643 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCC(C)CC1 1359065185 KCRUAIJTFJHSNP-RPLLCQBOSA-N 433.644 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1359091769 RNTVEWXPDHLRGZ-KPYOPSEVSA-N 426.605 4.936 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1359131875 HWLUSYMXAZIPPP-NRFANRHFSA-N 432.515 4.560 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1359166177 IVQOPLWPWWTSQW-FQEVSTJZSA-N 428.024 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)c1nccs1 1359190656 XTNPQLQUAKOKOW-OAHLLOKOSA-N 430.647 4.933 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[C@@H]1CCO[C@H](C)C1 1359235843 PDWFBNUNFBWGRZ-RTBURBONSA-N 428.577 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1359262629 ZSEJKHVYJMAKRV-UUOWRZLLSA-N 433.581 4.622 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1359263035 NNLTUNCVYWUPNT-SIKLNZKXSA-N 435.597 4.884 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc1Cl 1438002450 UVEGTYJUMPVRFY-ZDUSSCGKSA-N 435.417 4.792 30 10 IJEE CCOC(=O)C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1C 1457023349 ADOVIKDUHYNQST-VWLOTQADSA-N 442.515 4.870 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)C[C@@H]2CCC)cc1 1458280852 ZGBOKTCJBMUUIE-NRFANRHFSA-N 430.470 4.849 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 1459259430 BBDXNDNHWIQDQR-PMACEKPBSA-N 436.552 4.558 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OCc2noc(C)n2)cc1 1460781114 LYVCNUXBOVNRSA-UHFFFAOYSA-N 444.285 4.537 30 10 IJEE C=C[C@H](OC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1)c1ccccc1 1461541413 MGEZUEDNIKPZLI-QFIPXVFZSA-N 447.487 4.805 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)c1ccc(Cl)cc1 1463835391 TYCMTUYGDJMHLT-IBGZPJMESA-N 434.742 4.909 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(F)c(Br)cc1C 1464641968 RNTTXAXLKZCGSD-LJQANCHMSA-N 436.346 4.598 30 10 IJEE C=CCOc1cccc(NC(=O)N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1 1465382932 XILBTBHUTACYJB-HOYKHHGWSA-N 429.561 4.800 30 10 IJEE C=C[C@@H](C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1465512189 TZZMRCSOGDIGJT-RPBOFIJWSA-N 433.573 4.828 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 1465591224 LUDOBHCBJFRMDR-CVEARBPZSA-N 429.439 4.908 30 10 IJEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)CCCCC1 1466356412 RHXTWHQDUCHDLT-UHFFFAOYSA-N 443.544 4.783 30 10 IJEE C=C(CCC(=O)OC)C(=O)Nc1cc(Br)cc(C)c1NC(=O)OC(C)(C)C 1466809596 RIGCUYXXMFCBSR-UHFFFAOYSA-N 441.322 4.552 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1468597278 OLOGMAUWKHIDQU-DNQXCXABSA-N 430.548 4.564 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(Cc2cccc(F)c2F)CC1 1468941658 GBSLAGGOECPNMA-UHFFFAOYSA-N 437.490 4.810 30 10 IJEE CCN(CC)c1ccc(-c2nnc(Sc3cc(C#N)ncn3)n2-c2ccccc2)cc1 1472647372 ICHBRCUEJYDADB-UHFFFAOYSA-N 427.537 4.593 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 1475384994 RNGAXWYZDRSRKT-OAHLLOKOSA-N 448.304 4.934 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1)c1ccc(Br)cc1 1476036141 QYYLJRXXEOAPNW-RTBURBONSA-N 443.341 4.811 30 10 IJEE CN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1478219690 CBRUZNQCZKZCID-IXFUEQBVSA-N 448.567 4.531 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(NC(C)C)CC1 1507556399 IEXPQOAIZBVSEB-IBGZPJMESA-N 444.023 4.842 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1507595023 WDBGHEHILDYIQG-UHFFFAOYSA-N 432.568 4.667 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H](C)N1CCCCC1 1507618986 FJMHCZWCLPOKIE-SFHVURJKSA-N 432.037 4.558 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](SC)C(C)(C)C 1507665731 UMXIZKAKGFHTBX-JOCHJYFZSA-N 433.625 4.677 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC1(C)C 1507672703 DSCDPNLOUZLFHY-HXUWFJFHSA-N 439.003 4.761 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCC(C)C 1507699776 KQOANNODRPFHRY-UHFFFAOYSA-N 444.352 4.861 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1507755564 OXILVSVUGPYGRE-HSZRJFAPSA-N 438.641 4.518 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)COC 1507764582 RCCQTKTYCBORSN-XMMPIXPASA-N 426.630 4.940 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1507779990 JYGBPCJSZPZMMW-UHFFFAOYSA-N 426.362 4.908 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCSC 1507798055 FYDFGIUKOACESH-PGRDOPGGSA-N 439.629 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCCc1nc2c(s1)CCCC2 1507819490 SEHMJSHMCISAKA-LJQANCHMSA-N 429.634 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)[C@H](C)CC 1507819944 WZCRSLSMOSPCPR-IIBYNOLFSA-N 435.410 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)c1nc(C)cs1 1507821322 YVYWCJJFZLZANQ-OXJNMPFZSA-N 439.585 4.762 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1507911704 OLERBKFKQXAQFZ-IBGZPJMESA-N 427.593 4.582 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(=O)NC)CC1 1507926479 FZWQZKRDGREMCX-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CC)C1)c1ccccc1 1507927751 CMXKODKBGNZLKE-AZOUXBGGSA-N 438.616 4.988 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1507945011 ZHDFDDDSZKAFAE-DYESRHJHSA-N 438.551 4.771 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1508001881 ZTQIKXQHCWLOGG-IBGZPJMESA-N 441.620 4.929 30 10 IJEE CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1510303916 HCWIWUSTPXIVSY-GCJKJVERSA-N 447.505 4.537 30 10 IJEE Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)cc1F 1511603864 BCIZATHJCXDEOU-RUZDIDTESA-N 449.578 4.678 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2c(C)noc2C)s1 1513669444 FCUQKMFCOUTCTQ-UHFFFAOYSA-N 432.553 4.730 30 10 IJEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)(C)C 1517863271 HBSXKAWXBGPOOL-WIYYLYMNSA-N 439.604 4.662 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)COc2ccc(Br)c(C)c2)cc1 1517878122 HKFMUEUMDMWCRY-UHFFFAOYSA-N 432.314 4.784 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nnn(Cc3ccc(F)cc3)c2C)c1 1520377412 RTBBTMHPNWYKHR-UHFFFAOYSA-N 430.508 4.664 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nn(C(C)(C)C)cc2Br)C(F)(F)F)cc1 1525856389 NZJKNVODVPNLJL-OAHLLOKOSA-N 429.236 4.842 30 10 IJEE C[C@H](COc1cccc(F)c1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1526475285 ABCCQSPJGXSFKB-MRXNPFEDSA-N 429.923 4.541 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1528305847 WFWNXLCLBPWWSQ-GMAHTHKFSA-N 440.584 4.731 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 1535432758 BEQXCFAFPQNBEE-UHFFFAOYSA-N 447.720 4.809 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)c1ccccc1 1536595124 VMQVMYHGGROYIO-HWBMXIPRSA-N 438.568 4.930 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1537131538 WRVLLKDPSJNABE-UHFFFAOYSA-N 445.283 4.771 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)F)cc21 1538658517 DOGOKZYJGKRJKE-UHFFFAOYSA-N 446.820 4.728 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCc1nc(C)cs1 1539005533 ZOPYHZQGNTVTPA-SFHVURJKSA-N 446.580 4.846 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC2CCCC2)CC1 1539437509 CNQCWFOQUOJGKW-UHFFFAOYSA-N 433.644 4.968 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(C)nc1 1539569494 PNVOIQNXCPBERC-HSZRJFAPSA-N 438.000 4.968 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)c2ncc(C)s2)CC1 1539859113 KZPKNCJKCWBDAJ-QGZVFWFLSA-N 439.585 4.591 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1539875775 WJXQOWJPPBLCSP-DEOSSOPVSA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1539881961 AFGHCORDDGLPOM-UHFFFAOYSA-N 449.599 4.915 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccccc2C(F)(F)F)CC1 1539888536 QRBDHIYZOZNLTR-LJQANCHMSA-N 434.506 4.836 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCCCN2CCCCC2)CC1 1539894759 TXJDWQHHUGOTBN-UHFFFAOYSA-N 427.662 4.989 30 10 IJEE C=CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)CC)c1ccccc1 1539938860 CLAYDYWYYDFMOJ-ICSRJNTNSA-N 435.572 4.848 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1CC(F)(F)Br 1539945729 SWTQEQNMVOUJLI-UHFFFAOYSA-N 428.325 4.819 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1 1540007052 XVKXOSIEWJZVAC-QZTJIDSGSA-N 449.665 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(F)(F)F)C1 1540896451 LYRJWIKZSIMFND-CQSZACIVSA-N 432.899 4.567 30 10 IJEE CC(C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNc1ncc(Cl)cc1Cl 1541325568 CNLHPSOUQBLGGY-UHFFFAOYSA-N 444.370 4.723 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2sc(C)nc2C)c1 1542859829 BDOUPKDZZRFLHQ-UHFFFAOYSA-N 434.594 4.945 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C 1544628814 OEAHTFASOSLICJ-HXUWFJFHSA-N 431.577 4.569 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(COC)c(C(F)(F)F)c1 1557392624 NKRRJMGQMANPNF-HNNXBMFYSA-N 436.858 4.826 30 10 IJEE C=CCCC(C)(C)CNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1561814377 PEWYGWOERMZVKR-UHFFFAOYSA-N 429.405 4.843 30 10 IJEE CCCC[C@H](CC)COCc1cccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1562276215 CALLTCKUOGPSOH-IBGZPJMESA-N 429.561 4.730 30 10 IJEE C=CCn1c(SCC(=O)N2CC=CC23CCCCC3)nnc1-c1ccc(Cl)cc1 1585950840 UZFMTWKNWBGWJD-UHFFFAOYSA-N 428.989 4.978 30 10 IJEE CCOC(=O)c1sc2nc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)sc2c1C 1586469819 AFRGRXVKLGATFB-UHFFFAOYSA-N 431.514 4.770 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N(C)CCc1cccs1 1589557212 HCBGLYCJYRXMFS-XUZZJYLKSA-N 436.625 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(N(C)C)nc1 1589615657 SMDKUDAAUISIDF-UHFFFAOYSA-N 440.979 4.519 30 10 IJEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1cccs1 1593746800 NNOJBKNKMZDEEG-YLJYHZDGSA-N 440.569 4.642 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)N(C)C2CC2)CC1 1594202335 MCGYNLLLPGQMJB-INIZCTEOSA-N 444.421 4.593 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1594236508 DLKVUHYVSQDNKU-SFTDATJTSA-N 445.558 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)c1cccs1 1594886213 YSXSDGOYEYGLJL-UHFFFAOYSA-N 434.407 4.708 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCN(C)CC(F)(F)F 1595109094 RPEYGLXDFHDPKE-UHFFFAOYSA-N 433.478 4.533 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCc1c(C)noc1C 1595127228 JLEBSZNILUGVIS-UHFFFAOYSA-N 432.503 4.519 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCSCC1)C(C)C 1595166812 YGQSQXGQWYIOMS-NRFANRHFSA-N 446.064 4.850 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)s2)C1 1595674100 MOMLGRCGYMYHLI-FXAWDEMLSA-N 442.560 4.757 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 1595945617 PHVDDCMWIDAQRR-QGZVFWFLSA-N 443.507 4.541 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@@H](C)C1 1596805937 AGBKJEHVWIZSOG-RBSFLKMASA-N 434.357 4.879 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 1597296177 APFPGNGWKPXEGT-RTBURBONSA-N 442.519 4.920 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCOc2ccccc2Br)n1 1597507613 HPKPIHCXAHPWCZ-UHFFFAOYSA-N 445.704 4.567 30 10 IJEE CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)OC 1613483514 DTMDUYHKEFPUEJ-GOSISDBHSA-N 443.567 4.892 30 10 IJEE CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1614745429 HJMNDRFHYUIUBP-SFHVURJKSA-N 440.592 4.699 30 10 IJEE C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(F)c2ccccc12 1622201800 HUMAMSOAZVRMTP-LBPRGKRZSA-N 433.302 4.653 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1632683109 MCWQCWBYSBVJCO-OAHLLOKOSA-N 440.487 4.981 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(F)c(F)c1 1634434567 DOFCJGPELLPDOY-QZTJIDSGSA-N 432.433 4.973 30 10 IJEE Cc1c(C(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)sc2ccc(C#N)cc12 1638762661 AMUHUNGPMSKRBA-KZNAEPCWSA-N 439.581 4.847 30 10 IJEE C=CC1(CC(=O)Nc2c(-c3cccc(F)c3)n[nH]c2C2CC2)CN(C(=O)OC(C)(C)C)C1 1638892197 ZQHALGZHDPBICK-UHFFFAOYSA-N 440.519 4.845 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](C)CC(=O)c3cccc(Br)c3)cc2n1 1639087264 MIVZVYMPOUXKEM-AWEZNQCLSA-N 426.314 4.832 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCSc2ccccc2Cl)CC1 1639953690 DVADOSTVJHKLOX-IBGZPJMESA-N 434.392 4.885 30 10 IJEE N#Cc1ccc(-n2c(SCC(=O)Cc3ccccc3Cl)nc3ccccc3c2=O)cc1 1640802867 GEBTTXKJIUZNEW-UHFFFAOYSA-N 445.931 4.815 30 10 IJEE C#CCOc1ccc(C(=O)Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1 1641863241 PIRCHTZJCVWYDG-UHFFFAOYSA-N 441.553 4.522 30 10 IJEE Cc1ccccc1C[C@H](C)NC(=O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1642052014 GITKNKYMTULMOL-NRFANRHFSA-N 429.539 4.755 30 10 IJEE C=CCCC(C)(C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1 1642137114 HOGGOZYNLDXVCO-UHFFFAOYSA-N 430.570 4.533 30 10 IJEE C=CCn1c(SC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)nnc1-c1cccnc1 1651711387 OEKAGAAYNVUKLL-KRWDZBQOSA-N 429.590 4.655 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)Cc1ccc(Br)cc1Cl 1653728726 HTWXUGTYYWYJTP-UHFFFAOYSA-N 432.742 4.760 30 10 IJEE C=CCN(C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1658259259 DKHSGRKUFWFQAO-QNWVGRARSA-N 447.497 4.831 30 10 IJEE CCN([C@@H](Cc1ccc(F)cc1)C(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1661806311 BNRWXKIQHUJITP-IBGZPJMESA-N 442.478 4.994 30 10 IJEE CSc1ccc(Br)cc1CCNC(=O)Nc1cc(C#N)c(F)cc1F 1664255652 DQBKRWMKFFLISN-UHFFFAOYSA-N 426.286 4.685 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CC(Cc4ccccc4OC(F)(F)F)C3)cc21 1664928946 DEKZIRMBSHPEPR-UHFFFAOYSA-N 430.430 4.827 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(OC)c(Cl)c2)cc1 1667785982 KBBFJBRLMXNMRM-UHFFFAOYSA-N 427.932 4.827 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc(OC)c1OC 1668252134 IXQGDZKBJSHNDB-UHFFFAOYSA-N 430.504 4.985 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCN2CCCc3ccccc32)cc1 1668633037 HVBQDOQCNCHPIM-UHFFFAOYSA-N 442.519 4.933 30 10 IJEE C#CCC[C@@H](O)CNC(=O)Nc1cc(Cl)ccc1Oc1cccc(Br)c1 1671968808 WGWBTLLUXWNZRR-OAHLLOKOSA-N 437.721 4.791 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC)CCOc1ccccc1OC 1672214055 CWBSDVFKMWONBJ-UHFFFAOYSA-N 449.345 4.955 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 1681465244 NBHDBKGKWNUXGB-HSZRJFAPSA-N 427.976 4.883 30 10 IJEE C#Cc1ccc(CNC(=O)N(C)Cc2cccc(OC)c2OCc2ccccc2F)cc1 1682509483 SOTMFPIVCZJQIX-UHFFFAOYSA-N 432.495 4.736 30 10 IJEE CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1683424602 GJPJRMMAGFYAQY-FQEVSTJZSA-N 449.942 4.860 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(Br)cc1 1683681821 WRCKWAMBQDWWME-NHYWBVRUSA-N 426.236 4.598 30 10 IJEE C#CCN(C(=O)NCCN(Cc1ccccc1)c1ccccn1)[C@H]1CCCc2ccccc21 1687513042 YIQKQYCJLJZMLN-SANMLTNESA-N 438.575 4.811 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(F)F 1689827585 HFDKMULZIIPVEP-HZPDHXFCSA-N 440.922 4.776 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1689883943 CTQMPZZKQITULL-HSZRJFAPSA-N 449.643 4.706 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1690165901 MZTQLXSAOARDAQ-NRFANRHFSA-N 436.581 4.701 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1690175426 XKKMHUSSFBVYEU-UHFFFAOYSA-N 438.641 4.926 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)Sc1ccccc1 1690254629 FFDLGOSVGDPBOZ-SFHVURJKSA-N 436.585 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC2(CCCCC2)O1 1690257725 RRYIQSDLOQLHRC-SQJMNOBHSA-N 446.636 4.603 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2CCCCC2)CC1 1690412168 GKONFBYWCHKQFN-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@@H](C)C1 1690420421 NPCUHSABRZFSGV-INIZCTEOSA-N 446.617 4.515 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690452106 WVWSDMGLUZKIMH-IRFCIJBXSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1690467517 AFLMQJKGOYQJNW-HXUWFJFHSA-N 428.552 4.605 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1690486876 XCISNEULLFTYPH-JOCHJYFZSA-N 433.556 4.589 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1690663406 VRAVUWQAWJSZJZ-IBGZPJMESA-N 437.632 4.950 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(Br)c1 1690738045 CNSPEWDBIPHAGU-UHFFFAOYSA-N 446.418 4.602 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CC1 1690752993 XDCJSCTTYWPZRY-SFHVURJKSA-N 435.638 4.506 30 10 IJEE CSC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 1698358743 HITYXJONHUDUCE-MRXNPFEDSA-N 429.565 4.583 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CC(F)(F)F 1698438495 GSVKNLZHHGOJEX-KRWDZBQOSA-N 448.537 4.716 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCSC1(C)C 1705505172 HGDRWBUGHJPQJF-IAGOWNOFSA-N 430.643 4.569 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1705516245 WTIKBJCBJCGTIX-SFTDATJTSA-N 428.964 4.555 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1705532132 GWOHXCRDZIYTLJ-HBMCJLEFSA-N 441.620 4.575 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(C)C 1705617794 HXBPPTRFSXDOIJ-IBGZPJMESA-N 444.004 4.579 30 10 IJEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)CC)CC1 1705646567 ICVANIISWXKWIB-UHFFFAOYSA-N 449.643 4.645 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H]1CC=CCC1 1705653679 MYJKOYFRJMBRPG-RBUKOAKNSA-N 428.577 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN(C)C(C)C 1705667952 ADRAMZOKWIJSLD-BKMJKUGQSA-N 437.632 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)CCCS1 1705670962 PRTSVOSLGQCZRQ-YADHBBJMSA-N 431.005 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCN(C)c1ccccc1F 1705676347 YDNBSSZFWBNTNM-XMMPIXPASA-N 437.588 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CC(F)C1 1705698086 ZQJQNMKIHVDXGU-BFTBYMMWSA-N 448.970 4.773 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](SC)C(C)(C)C)CC1 1705766121 NLBFAXKIHHRMRT-FQEVSTJZSA-N 430.618 4.896 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1705772360 NWEPKGGVIKIBJS-GOTSBHOMSA-N 437.632 4.690 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705808962 YKYHATNCINJEHZ-SANMLTNESA-N 438.616 4.584 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(F)(F)Br 1705870559 UFJRTTLRKBLDRY-ZDUSSCGKSA-N 445.283 4.723 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C1CC1 1705879487 AMPIVSTTXFNKQQ-UHFFFAOYSA-N 441.576 4.556 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1705887152 QJMVZIGOLBHPBE-PZJWPPBQSA-N 444.023 4.939 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1 1707532180 DYEWXABGOIWVHG-ZRCGQRJVSA-N 439.604 4.603 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(Cl)s1 1711072421 CEQQPSCBGYBCKJ-SFHVURJKSA-N 427.961 4.791 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1722326143 FMRFCPGUYVJRLS-UHFFFAOYSA-N 439.972 4.568 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1722328828 WDMWYROXDGYNBG-UHFFFAOYSA-N 447.627 4.586 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1CC 1722422788 QQLHDWALIIGMAN-DHIUTWEWSA-N 431.559 4.869 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1722467010 KHZCBAGLBWOWMK-PDSFRDGWSA-N 425.646 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722491875 OPYIAQKWNMVSEZ-RXVVDRJESA-N 445.007 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCc1nnc(C)s1 1722515286 PNJLLKXIKBWKMD-UHFFFAOYSA-N 435.601 4.545 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)=C(C)C1 1722530774 IZCUSYDLSPHUOH-UHFFFAOYSA-N 449.368 4.986 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC2(CCC2)C[C@H]1CC 1722533725 XUWUJHJYPFBRBD-GOSISDBHSA-N 430.543 4.899 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCNC(=O)OC(C)(C)C)CC1 1722565104 VQXRMJIZKWMUFT-NRFANRHFSA-N 439.604 4.891 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCN(CCC)CC2)CC1 1722567800 LEENSRHZWSWERP-UHFFFAOYSA-N 428.024 4.801 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1722623195 AUZMSOGJDSRUBJ-HKUYNNGSSA-N 431.378 4.597 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@H](c1cccc(F)c1)N(C)C)C1CC1 1722651605 OWHFSVOXUQNRLS-OAQYLSRUSA-N 425.577 4.527 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCc1csc(CC)n1 1722658232 HDPLPWWSFXGWAH-HXUWFJFHSA-N 437.613 4.626 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1ccnc(-n2cccn2)c1 1722659205 RNJRFWRSOOVCEG-UHFFFAOYSA-N 441.583 4.688 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC3CCCCC3)c2)C1 1722709569 SRCVXQVOCFTCIY-NRFANRHFSA-N 439.604 4.512 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccsc2)C1 1722723397 YFSSUPKUYBTPRA-IBGZPJMESA-N 426.611 4.770 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC12CCC(CC1)C2 1740536632 KEFDLIJSZPOUIF-UMRPUCSYSA-N 431.353 4.885 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN(C(C)C)C1 1740676848 AOCMKPZWTUOVJV-QFIPXVFZSA-N 449.574 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@H](c1ccccc1OC)N1CCCC1 1740725562 RXMCXQVWFDOGSK-RQNQAMLKSA-N 435.616 4.629 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCc2ccc(Br)cc2C1 1740751757 OHSQNCSYUVRKSH-YLJYHZDGSA-N 445.405 4.708 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC 1740753410 JPNOAVDPVRMWKD-HNAYVOBHSA-N 449.393 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](C)c1nccs1 1740754415 SGOOEMAKADZUQI-WDYCEAGBSA-N 427.574 4.524 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCN(CCC)C2)CC1 1740837657 ZIYGJXRAXISMQR-GOSISDBHSA-N 431.987 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1740851687 BUPUYOXYZCRZNK-UHFFFAOYSA-N 434.632 4.762 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)CC[C@@H]1C)c1ccccc1 1740853514 FLQLWZKGKORYDG-JAXLGGSGSA-N 444.583 4.910 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740863377 WHTCPLFJEJFGLU-UHFFFAOYSA-N 436.579 4.786 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1740866507 GFLCZPRVLVATDC-IBGZPJMESA-N 428.602 4.625 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740872877 YZQAIBNFSRZUMZ-BGYRXZFFSA-N 437.588 4.523 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCC[C@@H]1CC 1740902133 YWNADXDTLSRGFM-IBGZPJMESA-N 446.437 4.903 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCCC1(C)C 1740920959 ZNQQKQHBYOWPEL-AREMUKBSSA-N 449.574 4.537 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1741001196 NOWQQAPUMQAYMV-LJQANCHMSA-N 428.602 4.521 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCc1nc(C)cs1 1748656659 VSJRDWFWOKZXDY-MRXNPFEDSA-N 444.004 4.853 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1(OC)CCC1 1748913179 QNKKULANNUTERR-UHFFFAOYSA-N 431.584 4.771 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1Cc1ccnc(OC2CCCCC2)c1 1748946190 AGTSSUFCKPXXGG-UHFFFAOYSA-N 447.558 4.774 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749122706 ZLBKOPFGUAHFAP-OVQGTLEDSA-N 441.526 4.525 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1Cc1cccs1 1749219260 BHUPJDWKQGCDKU-OAQYLSRUSA-N 433.581 4.682 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749420091 ZIHCWZOBRUUMLL-UHFFFAOYSA-N 429.996 4.648 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCC1CCOCC1)C1CC1 1749511029 QHWPWRZWDBLGFE-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC2CCOCC2)c1 1751444084 CSYLALXFCCTRKL-HXUWFJFHSA-N 439.604 4.844 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCc2cccnc21 1760177762 NMMZYUWKTRXIJJ-QFIPXVFZSA-N 443.595 4.873 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760242022 QULMRXWENZEFAP-WRALFONMSA-N 440.563 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(C)CC1 1760319955 VKBHANQUKKNTRY-QUCCMNQESA-N 430.499 4.684 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC1CCCC1 1760320493 XWPKMBDENNLBTG-AUSIDOKSSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1760393617 SYVWXZRKVUFZFA-XPWALMASSA-N 443.680 4.864 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[C@H](OC)C(CC)CC)CC1 1760399400 KZLJOQUIIKYCKX-NRFANRHFSA-N 440.588 4.918 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC=CCO1 1760483651 XPEXOVDDUGBNOG-IBGZPJMESA-N 439.922 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC2(C)C)C1 1760539232 ZITXGJXETWGFIV-MBOZVWFJSA-N 430.980 4.899 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1760567743 LXCXATUQKWCECN-UHFFFAOYSA-N 428.650 4.530 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(O)cc1 1762807677 AGNDNWJVOJLAPN-SJORKVTESA-N 435.597 4.818 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1c2c(nc3ccccc13)CCCC2 1859649437 NSKJEDFJYUHQEA-UHFFFAOYSA-N 444.498 4.971 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)/C=C/c4ccco4)CC3)cc2)c1 1860702517 WAOHCIZRNUPIKG-ZHACJKMWSA-N 426.472 4.790 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(Cl)c1 1862502930 LRUGIRXAZHQELT-NRFANRHFSA-N 444.934 4.708 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2c(F)cccc2Cl)cc1 1862530890 ABUPIDHIROZTNT-IIBYNOLFSA-N 443.902 4.799 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2F)cc1 1862626100 URDJEGDROYURPD-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CC2)cc1 1862634798 UIRLQPRZGUMAJH-HSZRJFAPSA-N 449.503 4.725 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCO)cc1 1862714731 NCMNFSSZHUURHA-DEOSSOPVSA-N 429.516 4.924 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(OC)c1 1862723524 BPPYJKARJLAZER-XMMPIXPASA-N 443.499 4.587 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 1862725572 MGBNCKOFIZPDII-JOCHJYFZSA-N 433.891 4.578 30 10 IJEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862850239 OGXKNJLOFHZXHB-UHFFFAOYSA-N 440.462 4.980 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(C)ccc3C)C2=O)cc1 1863401582 BNWQEONGLZZLDM-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCN(C)C)C1=O 1863505688 ODYBVRRQTCCPPR-UHFFFAOYSA-N 431.596 4.588 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc[nH]1 1864933319 GHOUPQIYYNUSDQ-HXUWFJFHSA-N 441.620 4.601 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)[C@H](c1ccc(Br)cc1)C(C)C 1868846344 BMMSDDNVSKITJF-UGKGYDQZSA-N 435.406 4.674 30 10 IJEE CC(C)c1cc(NC(=O)[C@H](N=C2NS(=O)(=O)c3ccccc32)C(C)C)cc(C(C)C)c1 1869928509 MTDLKJKXXGPQOZ-JOCHJYFZSA-N 441.597 4.635 30 10 IJEE CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C#N)nnn2Cc2cccc3ccccc23)cc1 1870105617 BFOKQFXVIWERPT-GOSISDBHSA-N 439.519 4.881 30 10 IJEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870949251 WTGLUMLSAGUBAE-UHFFFAOYSA-N 439.600 4.581 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CNc1ccc(C(C)C)cc1 1871193504 WNSINBVRSFXRHK-UHFFFAOYSA-N 449.526 4.926 30 10 IJEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1ccc(OC)c(OC)c1 1871241927 HAPPUZSSADGAFT-UHFFFAOYSA-N 440.927 4.896 30 10 IJEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1O/C(=C\c1ccccc1F)C2=O 1871430616 MLXZQTBRCZBTHR-MTJSOVHGSA-N 428.419 4.978 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 1871438949 ZJUBOQVEBSRJEK-MTJSOVHGSA-N 433.485 4.893 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1871991026 LYZRRPHAFSBSGI-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccs1 1872367415 ZVBOTWFIHKQCHV-SFHVURJKSA-N 442.553 4.647 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674124 HJUSKUJGMRIKEP-UHFFFAOYSA-N 427.483 4.571 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)Nc2ccc(I)cc2C)c1C 1874183338 DPWKYDGAIYJLMX-UHFFFAOYSA-N 437.325 4.560 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(O)cc2O)cc1 1874379300 KXCZOBCUJPSGRQ-VULFUBBASA-N 448.523 4.902 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)c(OC)c1 1874443926 OJLBOXMZODSPQO-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccs2)c1 1874486154 DMVGIYFOXWUXFJ-WSDLNYQXSA-N 427.599 4.768 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2F)c(C)c1 1874486698 GLBRGAQMHGPOII-DHRITJCHSA-N 439.560 4.945 30 10 IJEE C=CCSc1nnc(COC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874502572 OVASKPRNOXGOEV-YDZHTSKRSA-N 428.945 4.817 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cc(Cl)ccc1O 1874503551 NHZHNKADKBXPOX-FSJBWODESA-N 443.960 4.511 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)cc1F 1874577072 VABBBEGDCQCEAM-XVNBXDOJSA-N 439.252 4.955 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCC(=O)Nc1cccc(C)c1 1874582308 IETKPYJHBQZCDM-PKNBQFBNSA-N 445.471 4.646 30 10 IJEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OC 1874629875 ZKCTYSZJLBNVFT-CMDGGOBGSA-N 442.508 4.557 30 10 IJEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(CCO)CCCC 1874644141 HINADRREHBGHAF-DEOSSOPVSA-N 443.632 4.567 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 1875135718 FCHGYDDGPQVXIB-DHZHZOJOSA-N 432.432 4.812 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccc(F)c1 1875148648 JXVZETPCPRADGF-VMPITWQZSA-N 434.419 4.721 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccccc3Br)cc21 1890550266 XGPFWMDWYBVRBF-UHFFFAOYSA-N 443.341 4.568 30 10 IJEE N#Cc1ccc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c(F)c1 1890676025 LGEMAHIJEAOWBI-UHFFFAOYSA-N 437.478 4.722 30 10 IJEE CO[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1904843124 AODGPYVBAKXHAN-SJORKVTESA-N 439.940 4.513 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CNCCC)c1Cl 1914946442 NEFFGZOPUSOLQM-UHFFFAOYSA-N 427.397 4.870 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C 1922117660 BUZHBFZKCVWRMC-OZXSUGGESA-N 446.632 4.934 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1938190007 AUVXMTMWNDUMPA-HUUCEWRRSA-N 437.503 4.865 30 10 IJEE CC(C)(C)OC(=O)NCCCN(CCCB1OC(C)(C)C(C)(C)O1)Cc1ccccc1 1953265092 ZXPMCDSRBYVINQ-UHFFFAOYSA-N 432.414 4.886 30 10 IJEE C#C[C@H](C1CC1)N(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1993836599 VSESWLNCWIKMHB-FMLDBKJISA-N 444.575 4.810 30 10 IJEE C=C1CC(C[C@H](NCCC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2011044189 SMNMAHTXXAFEQI-JYFHCDHNSA-N 427.633 4.880 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC12CCCC2 2037760760 XAXJVYKYCHSBSK-UUOWRZLLSA-N 449.592 4.618 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCCCC1 2060819272 AEXOEDLPRFOCTK-CTNGQTDRSA-N 443.588 4.608 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1O 2079977980 UGXHIJXYSBOSSG-QGZVFWFLSA-N 436.350 4.855 30 10 IJEE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079987743 WHWIEYLEFNRXBP-IBGZPJMESA-N 447.320 4.949 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(C(F)(F)F)ccc3F)nc12 2081256699 GANZBOZYRMRTCD-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE CCCN[C@H](CC#CC1CC1)c1cc(I)ccc1Br 2090187097 BTDUBXLXDVLFML-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNc2cc(Br)cc(F)c2C#N)C1 2107449917 MQIIDAOQHZTFHZ-GOSISDBHSA-N 430.293 4.611 30 10 IJEE CC(F)(F)C[C@@H]1CSC(=NCc2scc(Br)c2Br)N1 2113238400 ONIMAVZWLURDIX-ZCFIWIBFSA-N 434.169 4.879 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(C#N)c(Br)c2F)C1(C)C 2118150551 FWEORVRQJXEASE-CYBMUJFWSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(Nc3cc(Br)cnc3C#N)cc2C1 2167617096 OGNRKVDUQUNIHS-UHFFFAOYSA-N 429.318 4.753 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)[C@@H](C(C)(C)C)C1 2174568151 MYVGUMPOVJCGGT-GOSISDBHSA-N 436.394 4.788 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1cc(Br)c(C#N)cc1F 2174770703 ABYBOVYOTXRJBX-ACJLOTCBSA-N 440.357 4.932 30 10 IJEE C#CC[C@@H](C[C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196730938 CDEYUJBKTKZNFH-DFQSSKMNSA-N 436.390 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(COc1cc(Br)cnc1C#N)c1ccccc1 2198815796 PTTRHPUTUIRIFE-HXUWFJFHSA-N 432.318 4.535 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2ccccc2Br)CC12CCCC2 2235725259 IYZZNUUCWROFJZ-KRWDZBQOSA-N 432.358 4.940 30 10 IJEE CCc1ccc(C#C[C@H](O)c2ccc(Br)cc2I)cc1 2239658964 VBVCFEWDTOHQTL-KRWDZBQOSA-N 441.106 4.701 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255526616 WWMHSCLGCQLJBC-SFHVURJKSA-N 425.353 4.812 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@H](O)C#Cc3cccc(Br)c3)cc2C1 2296230424 SXKHRDUWAUYQJV-HXUWFJFHSA-N 428.326 4.785 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1CC2(CCN2C(=O)OC(C)(C)C)C1 2296299439 VSTGPINNIKDUMX-IMYXXEESSA-N 433.390 4.568 30 10 IJEE O=c1c(Cl)c(NN=Cc2c(O)ccc3ccccc23)cnn1-c1ccccc1Cl 2322624094 KVBCUBRRUFRSDY-UHFFFAOYSA-N 425.275 4.844 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2323379836 UKPDVRRJDAVHLF-UHFFFAOYSA-N 427.412 4.915 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2324982718 RACLMCVVDXSOMQ-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325721796 FRJXQDBXDQQMJN-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3cc(F)ccc3F)c2)cc1F 2325748841 MYTHSBYLXNCXDV-UHFFFAOYSA-N 442.389 4.993 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(F)cc1 2325952328 SNPSVVRETPYRMI-UHFFFAOYSA-N 431.334 4.931 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2327576113 WISHXYTXFNHWCI-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1c(F)cccc1Cl 2327861093 ZFKYQVDFAKQWCV-AWEZNQCLSA-N 449.983 4.735 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2N=Cc2cccc(C)c2)cc1 2328988664 XIJOAYYZNCKXAW-QFIPXVFZSA-N 447.608 4.794 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2C)cc1 2330911400 BYSHKQAGJURSBP-NRFANRHFSA-N 449.580 4.613 30 10 IJEE O=C1CCC(C(=O)Oc2ccc(C=CC(=O)c3ccc(Oc4ccccc4)cc3)cc2)=NN1 2331592206 FFMKEDOIXGLOCB-UHFFFAOYSA-N 440.455 4.546 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(Nc2ccc(Br)cc2C#N)C1 2340384186 AVDANIZHDNXJRJ-UHFFFAOYSA-N 434.256 4.721 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C[C@H]2C(=O)C#Cc2ccccc2Br)C1 2358671762 MUFHMPFYXRHNGM-KBAYOESNSA-N 432.358 4.653 30 10 IJEE CCCC#CC[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703357 BRWHEOZDRDVMDU-NSHDSACASA-N 426.703 4.732 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681424 ZULVMTXXGIEDME-DZWGLGNASA-N 447.428 4.768 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@@H](N)C#Cc2cccc(Br)c2)C1(C)C 2370456861 PUSGSFACNKVLHZ-NZSAHSFTSA-N 435.406 4.848 30 10 IJEE COc1ccc(-c2csc(N3N=C(C)/C(=N\Nc4nc5ccccc5s4)C3=O)n2)cc1 12275817 MLOIPKNMFRVSBU-HKOYGPOVSA-N 448.533 4.619 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 102903925 HMFYRQMFERGMMH-VFJWVMJUSA-N 449.890 4.984 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)c1 169939245 RCOVYCCONIMFAN-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2ccc(OC)cc2)cs1 169940986 DWQCIYMPXLHFGG-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE COc1ccccc1-c1csc(N/N=C\c2ccc(OC)c(O)c2Br)n1 169942113 WRKSXGGPIHIFPL-UKWGHVSLSA-N 434.315 4.741 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170038050 LWWLTNDYAKLQBW-XXBNENTESA-N 447.487 4.589 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccc2C)cc1 170088972 RVYOFZAISLFZGE-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1cccnc1 170183872 ZPLQHKCKYFHHSC-QFIPXVFZSA-N 436.552 4.691 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1 170188703 RBHIMQATMHQAAK-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170248310 CATXAZUBOUUGEH-JOCHJYFZSA-N 433.410 4.683 30 10 IJEE C[C@@]1(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC(=O)N=C2C=CC=CN21 170575322 RRFMCHHWOIZOPB-MHZLTWQESA-N 448.482 4.897 30 10 IJEE C=CCN(C(=O)c1cc2ccccc2n1CC(F)(F)F)c1nc(C(=O)OCC)cs1 447396599 LHIDYTPVXQTOCE-UHFFFAOYSA-N 437.443 4.670 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1ccc(OC)cc1 460384068 XHPCXGCGEHLHDU-QFIPXVFZSA-N 434.540 4.889 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460945642 WGUJATHYDKZMQX-AREMUKBSSA-N 448.636 4.985 30 10 IJEE COC[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1 466556578 QLZYHGGLWONHLE-XMMPIXPASA-N 433.483 4.980 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 516586702 OKDFLWQCUHKHOZ-LJQANCHMSA-N 441.626 4.798 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 518365166 JQCJSIHOHNNZJZ-HSZRJFAPSA-N 434.565 4.689 30 10 IJEE COc1cc([N+](=O)[O-])c(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc1O 526821556 YKJKNTCYGKQZNM-FMCGGJTJSA-N 449.492 4.537 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 526828442 DGXVNWVOJLCDPV-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1 548948314 JKNNRIKTCYROKG-DEOSSOPVSA-N 442.563 4.856 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 555240169 IPZJNRKAYAZJCL-UHFFFAOYSA-N 449.643 4.695 30 10 IJEE COc1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)cc(OC)c1 555376908 HXYYAXCRTYWSDD-UHFFFAOYSA-N 445.548 4.580 30 10 IJEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(C3)OCc3ccccc34)n2Cc2ccccc2)c1 558925388 IAYWTAUEYTXPJD-MHZLTWQESA-N 433.515 4.501 30 10 IJEE N#CCc1cccc(S(=O)(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 589930462 GPIYGVSJKONIHG-HSZRJFAPSA-N 440.952 4.642 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nc2sccc2c1=O 613439808 FKMYLCAYECAKCA-STQMWFEESA-N 433.986 4.655 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669810419 CJOUYCQBEVJNEO-QUCCMNQESA-N 440.979 4.912 30 10 IJEE CC(C)(C)C[C@H]1CS/C(=N/CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)N1 706684089 YSISPUDGUANGKI-QHCPKHFHSA-N 437.653 4.955 30 10 IJEE CC#CCC[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710413532 FZWKAULAROSFLN-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE Cc1ccnc(C2CCN(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)CC2)n1 758658598 KPOAWJSNPWNQRB-IBGZPJMESA-N 425.536 4.974 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 759230637 GNNNVWMCTODHDC-PWRODBHTSA-N 428.488 4.657 30 10 IJEE COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 772226760 PMRYLYGZOOSLHC-UHFFFAOYSA-N 436.773 4.929 30 10 IJEE C=CCC[C@@H](C)OC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 772779147 YAUJALNEVIOCKX-CYBMUJFWSA-N 427.316 4.528 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 784635029 UXYVVKQQAGYJCV-IIBYNOLFSA-N 428.356 4.618 30 10 IJEE C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 790693991 FTZIFJSTGIAIIS-XLIONFOSSA-N 441.503 4.727 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c1 1125714573 WCAJCJVINUCZFY-UHFFFAOYSA-N 434.473 4.646 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCCN1C(=O)CC(C)C 1125735842 KQBUXBMJSWMXJN-LJQANCHMSA-N 439.369 4.530 30 10 IJEE Cn1c(=O)oc2c(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cccc21 1130125720 AYKRSNSFFNMHMH-UHFFFAOYSA-N 436.283 4.673 30 10 IJEE C#CC[C@]1(C(=O)N2CCC[C@H](c3ccccc3OC)CC2)CCCN1C(=O)OC(C)(C)C 1132918843 WWZPHMMWRSENPH-RXFWQSSRSA-N 440.584 4.584 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 1138257540 NRZULRLNQHQOIL-UHFFFAOYSA-N 431.529 4.692 30 10 IJEE C=CC[C@@H](C(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)c1ccccc1 1155923534 NQLKOSRGEISUSQ-DYESRHJHSA-N 426.479 4.795 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2ccc(F)cc2F)s1 1156065332 MCYZQZJQKPPRQW-KRWDZBQOSA-N 449.523 4.566 30 10 IJEE Cc1nc(C2CCCC2)sc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1156559379 CIJGLHICRXXQGG-IBGZPJMESA-N 428.989 4.785 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 1183977903 QVCVLHPJVLFCGL-WIYYLYMNSA-N 447.000 4.683 30 10 IJEE CC(C)(C)[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(F)cc1 1185447104 DUCPALGBXOHOLZ-QGZVFWFLSA-N 425.323 4.526 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc1 1200402785 NHNVWRFZIHGPGG-XMMPIXPASA-N 434.467 4.766 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc2c(cc1C)OCO2)c1ccc(C(F)(F)F)cc1 1211149034 QGHQPXWGKOFGJA-MRXNPFEDSA-N 427.444 4.728 30 10 IJEE C#CCN(C(=O)NCc1ccc(OC(F)F)c(OCC)c1)[C@H]1CCCc2ccccc21 1221222850 PMLGMAQSALHURJ-FQEVSTJZSA-N 428.479 4.909 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 1223905983 PMMBDGZWOIZQOJ-VBQJREDUSA-N 433.350 4.994 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1226926861 NGXRRINBTWJTDF-JOCHJYFZSA-N 443.563 4.711 30 10 IJEE C=CCC[C@@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1266462456 LDPGMWTUORVDOM-HXUWFJFHSA-N 427.426 4.898 30 10 IJEE Cc1nc(SCC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)c(C#N)c(C)c1C 1279036404 IBOLKDGFIFSAET-UHFFFAOYSA-N 440.569 4.634 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1=CCCCC1 1286453478 SWSLWDYNUAFATC-FQEVSTJZSA-N 427.593 4.700 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@H]1CCO[C@H](C)C1 1286457647 BIWNBEFLLQAFTE-UXHICEINSA-N 426.580 4.851 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)C(C)(C)C1 1286603218 OYOXGYYXRUPRFX-SFHVURJKSA-N 439.387 4.706 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1nc(C)cs1 1286748063 SIIDDQZDPQHQFS-LJQANCHMSA-N 427.549 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccc(F)cc1 1286748798 BMOISSLSLJRDDI-ZWKOTPCHSA-N 442.560 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1 1286758543 PWVHSHOLJCXSEI-JOCHJYFZSA-N 428.989 4.670 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286796761 VRZBMULGRZTARA-YADHBBJMSA-N 435.572 4.526 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cn(C)nc2C2CCCCC2)nnc1-c1ccco1 1298637887 ZEAYTHISXMGCBH-UHFFFAOYSA-N 440.573 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCc2ccccc21 1300596193 VDSRDGDCRKDPOE-QLBJFCOMSA-N 444.623 4.780 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1nccs1 1300602630 HTGGARGJXPMOKD-UHFFFAOYSA-N 430.581 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1300815997 FKXLXDWULWAOLM-IHLLOCCUSA-N 442.991 4.564 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC(C)(C)C 1300889512 CNQRSPRAUKOVGW-NFBKMPQASA-N 426.605 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1300890664 VXRZYHORGUPTOZ-WIOPSUGQSA-N 438.616 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC[C@](C)(CC)O1 1300915344 NNTOQFIKJOSDSD-ZHRMCQFGSA-N 426.561 4.541 30 10 IJEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(C)(C)CC)CC1 1301080210 PVNMHOOUACYIFG-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1301245541 DSZYWFWXOPHOMB-XZOQPEGZSA-N 437.632 4.629 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@@H](C)N1CCCCC1 1301272350 GFHFSCQTXAXTCV-IRLDBZIGSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)c(Cl)c1 1301311094 YNVMTRMXRSQKHK-SFHVURJKSA-N 449.958 4.813 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1301316966 MFMFJDBKZOJPBL-QZTJIDSGSA-N 443.039 4.905 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC1CC(F)(F)C1 1301340228 XLPQURKYFUFTCG-UHFFFAOYSA-N 434.494 4.758 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1CC(=C)C 1301347303 UDZOMYNOBZMXNB-UHFFFAOYSA-N 426.362 4.815 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)c1ncc(C)s1 1301405659 VFMISWFSFWQACD-UZLBHIALSA-N 437.569 4.538 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1[C@@H]1C[C@H]1CCC 1301414767 ILISAPYTCUWWOI-ZIAGYGMSSA-N 425.396 4.769 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C)(C)c3nc4cc(Cl)ccc4o3)n[nH]2)c1C 1302386254 ZBWSHWGHKCJVIG-UHFFFAOYSA-N 438.919 4.536 30 10 IJEE CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1)Oc1ccccc1F 1305830408 FBMJZAWBTGGMAN-ZHRMCQFGSA-N 441.551 4.646 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)C(C)C 1311388433 OCLBYXGCMHDITG-IRLDBZIGSA-N 441.513 4.984 30 10 IJEE C#CC[C@@H](NC(=O)NCc1ccc(I)c(Cl)c1)c1ccccc1 1312322253 PPOULQXXCYHSKE-QGZVFWFLSA-N 438.696 4.508 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1 1312495043 RAVMZLQOUYTDEP-HXUWFJFHSA-N 435.549 4.583 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1313446491 DAHFBZUDTTXGCI-RDJZCZTQSA-N 435.403 4.865 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1OC 1349316939 GEWUVYMDUWFVJR-JQIJEIRASA-N 442.515 4.842 30 10 IJEE C=CCN(C(=O)c1ccsc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1354202793 OPJXAFOWRZYMDK-UHFFFAOYSA-N 438.983 4.761 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CCCCO1 1358905548 DCZMVQBWYTXLAT-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1OC 1359003287 GCHAGFWSBAXELX-KRWDZBQOSA-N 434.609 4.956 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(F)cn1 1359108658 XGTLZTAYKJYCTR-UHFFFAOYSA-N 448.315 4.832 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1nccnc1C 1359108849 FXHHNBDCMRCZKD-KRWDZBQOSA-N 436.629 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCc1ccc(Cl)c(OC)c1 1359112073 XJMZJWCYNFGONL-UHFFFAOYSA-N 425.964 4.956 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC2(CCC2)C[C@H]1CC 1359129941 SFVHFPLJLSOVBA-LJQANCHMSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Sc2ccccc2)CC1 1359159909 IBSSPLSTZUAYJV-RDPSFJRHSA-N 442.629 4.656 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1359212777 XJOPRRFRLSXTJR-UHFFFAOYSA-N 435.616 4.885 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)C1 1359229759 UBNMQJHGKZKTST-HNNXBMFYSA-N 425.360 4.603 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(N(CC)CC)nc1 1359234922 GPEKHTDZNYJRBD-UHFFFAOYSA-N 428.943 4.649 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@@H]1C(C)C 1359235441 ZUWKCDADXCLXBZ-AUSIDOKSSA-N 436.556 4.800 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@@H]1C 1359275081 JTSHWUMUFCVMOR-LPHOPBHVSA-N 440.389 4.862 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCCC[C@H](SC)C2)cc1 1359307301 HDDCWTJNKQEAJB-FCHUYYIVSA-N 442.629 4.855 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(F)cc2C(F)(F)F)C1 1359311893 KNNZVRVPSRHNSI-YOEHRIQHSA-N 426.458 4.779 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCSC2(C)C)C1 1359316406 OBMMRWZTYNMSSK-RTWAWAEBSA-N 426.630 4.821 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3coc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3)cc21 1456535814 UGTCORJDFOODMH-SFHVURJKSA-N 437.500 4.535 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2COc3c(C)cccc3C2)cc1OCC 1461552381 NNUFIJAIKXWZKF-GOSISDBHSA-N 432.358 4.814 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(OCCC(C)C)cc2)cc1 1465257697 MFCMPLZLLXXFHU-UHFFFAOYSA-N 431.558 4.562 30 10 IJEE C#CC[C@H](NC(=O)Nc1nc2ccc(I)cc2s1)c1ccccc1 1466260834 UGGRAPAWYHHTEB-AWEZNQCLSA-N 447.301 4.787 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc(Cl)cc1F 1466761824 RBFBNEAWZKPPIU-KRWDZBQOSA-N 440.277 4.604 30 10 IJEE C=CC[C@]1(C(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)CCCN1C(=O)OC(C)(C)C 1469111074 AZFBUXMRFTWRDB-RUZDIDTESA-N 444.572 4.541 30 10 IJEE C#CC[C@H](NC(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccccc1 1469449228 JTJXYQNZRLZAGJ-CPJSRVTESA-N 427.589 4.724 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 1469837451 RZWNXBMWCKEIFS-ZWKOTPCHSA-N 440.943 4.629 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 1476224177 VCQWOPPVJNQBAK-MHZLTWQESA-N 444.506 4.706 30 10 IJEE C#CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(CC)Cc1cnn(C)c1 1507578588 ZRGQBCLFBBVVQU-UHFFFAOYSA-N 448.571 4.986 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)CN1CCCCC1 1507605141 QMMWCVVYLVIOEB-IBGZPJMESA-N 448.640 4.568 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN1CCC 1507701320 DAAFCDUZTQTVRU-HSZRJFAPSA-N 439.623 4.910 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1507767993 KFONGZUAMUYDLF-KBMIEXCESA-N 441.620 4.575 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC1CC1)C1CCC1 1507777386 GESALOOUJYBMCO-UHFFFAOYSA-N 447.377 4.640 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1507853832 FSDHVEYGJSKDLJ-GOSISDBHSA-N 449.521 4.689 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCSC2)C1 1507858611 GUUISOKJBQIACA-SFHVURJKSA-N 439.810 4.794 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1507888739 PKYGGWZURHPSNO-DEOSSOPVSA-N 439.648 4.997 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2nccs2)CC1 1507908793 FUBJNWZAZRPGPP-UHFFFAOYSA-N 437.613 4.966 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(N(C)C)CCCC1 1507985426 COOVHSDWUCKRRH-UHFFFAOYSA-N 425.621 4.786 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@H](OC)C(C)(C)C 1508026882 JGVGWEUYOJBOBZ-NRFANRHFSA-N 426.536 4.973 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCCC2)C1 1508151762 OCAOKMAXGJFMKN-UHFFFAOYSA-N 436.984 4.806 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1 1519864732 JHIVSQVWIHXWAI-VWLOTQADSA-N 428.507 4.657 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1)c1ccc(C(F)(F)F)cc1 1520114367 TURQXAKPYQOOJL-MJGOQNOKSA-N 446.469 4.891 30 10 IJEE C=CCN(C(=O)c1cc(Cl)cc2ccc(C)nc12)[C@@H](Cc1ccccc1)C(=O)OCC 1522165563 IGTDQQBOTGWVGX-QFIPXVFZSA-N 436.939 4.999 30 10 IJEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H]1n1cccn1 1525925669 DWDPBQUOIUGPNZ-VIZSFHNOSA-N 446.576 4.833 30 10 IJEE O=C(Cc1ccc(Br)cc1F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1526370411 GHYUXEJYWOVRBJ-AOOOYVTPSA-N 436.165 4.720 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2(C3CCC3)CC2)ccc1Cl 1531140749 PABLCBIPAIVRMG-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)OCC 1533738124 GBCVBMMGRNZOJJ-OAQYLSRUSA-N 438.528 4.517 30 10 IJEE C=CCc1cc(C(=O)N(CCC)C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 1537775896 HDXCAUGCUYDIKJ-UHFFFAOYSA-N 436.596 4.949 30 10 IJEE Cc1c(C#N)cccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1538681894 FWOXOSVKOXVGKU-FGZHOGPDSA-N 437.515 4.529 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)noc1C 1538971031 FEXDKIYDAPMBKA-QAPCUYQASA-N 441.963 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccccc1OC 1538984199 CZWFCWARXUZYLH-ZWKOTPCHSA-N 434.609 4.841 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccnc(SCC)c1 1539345194 QYQKQYUZXAGWLG-UHFFFAOYSA-N 431.609 4.763 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1cccc(C)c1 1539347500 VVWWMMQCUCMDEZ-MRXNPFEDSA-N 426.362 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1539352018 MWFJFQIWNCXSSH-WCJKSRRJSA-N 433.383 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCC1 1539620167 JTTZFUZAAQQENU-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(N(C)C)c1 1539677783 HYPYQRYSDCYHAA-FGZHOGPDSA-N 425.621 4.713 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1539804934 BHUSQKFOTIAMME-OAHLLOKOSA-N 425.270 4.795 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](OC)C(C)(C)C)CC1 1539840586 YJCNMMMAIDOCQV-QFIPXVFZSA-N 442.604 4.958 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1539953236 FYLQYLZFSYOBAW-UHFFFAOYSA-N 439.604 4.868 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1540026883 LHBVFWJUZZQCCH-AUSIDOKSSA-N 433.556 4.529 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H](C)c1nccs1 1540133713 JYGKGRBHZFBYSA-KRWDZBQOSA-N 434.544 4.932 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[C@H](O)C1 1540140926 WVTBDPYILZUTLL-MOPGFXCFSA-N 438.597 4.759 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H](C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540922328 KZRJURITJWKAKS-QRVBRYPASA-N 449.665 4.594 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C1CCCCC1)N(C)C 1541806229 GZPZSDYEHGMSGV-RDPSFJRHSA-N 447.631 4.530 30 10 IJEE Cc1ccccc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)C#N 1542766133 IFSCVGADVIPWLN-ZDUSSCGKSA-N 430.375 4.722 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc3c(cc2Br)OCO3)C(F)(F)F)cc1 1544661206 BMWFYZCEWFSGKH-MRXNPFEDSA-N 427.172 4.620 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn12 1560683529 BMRIZCAFFUCNBZ-UHFFFAOYSA-N 432.474 4.800 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 1564913788 USOJQZIEHDZVRL-NFBKMPQASA-N 437.971 4.985 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccc(Cl)cc1F 1565001603 BDTXJILUGFKNKA-HSZRJFAPSA-N 427.951 4.804 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)CCCC1(C)C 1568330196 QJLJSTJKSBVSCS-FQEVSTJZSA-N 431.577 4.996 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 1583220004 YPXXKRNCAZDBGV-NRFANRHFSA-N 442.515 4.508 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1 1583312734 BALCDFHECUQRRI-QHCPKHFHSA-N 434.536 4.523 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccccc2OC)CCCC1 1583388500 ISFXHJMUSBSGQD-GOSISDBHSA-N 436.980 4.659 30 10 IJEE C=CCOc1cccnc1C(=O)N1C[C@@H]2CCCCN2c2cc(Br)c(F)cc21 1584260797 IDQDKLDUPAZGHZ-AWEZNQCLSA-N 446.320 4.567 30 10 IJEE C#C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccc(Cl)cc1 1584690289 SEUVTXYWERBMON-MRXNPFEDSA-N 449.681 4.845 30 10 IJEE COc1cc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c(F)cc1C#N 1587092012 CXRACKBLNAEXKU-UHFFFAOYSA-N 442.244 4.908 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 1587230310 ZDVBNZSKSRIDEF-AUSIDOKSSA-N 426.582 4.685 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2(C3(C)CC3)CC2)ccc1Cl 1587304679 JXGBAWADVLUVSF-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)c1cccs1 1587580389 PHSDHKJTUTZQOT-PBPSECFOSA-N 440.638 4.559 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCOCC2)C1 1587705494 FIPOZDYQVRAEKY-IBGZPJMESA-N 442.991 4.882 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)Cc1cc(Br)cs1 1587773268 GRRXZYUSONUVDF-UHFFFAOYSA-N 444.402 4.528 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(C)CCCS1 1588265450 ASSKMIGUBGHENC-JPYJTQIMSA-N 428.602 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1nc(C)cc1C 1589695062 ZXTRUNBBULPZOL-NHCUHLMSSA-N 428.625 4.503 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H](C)C1 1593711995 OGKLZPBQNRBMDK-HUUCEWRRSA-N 439.423 4.844 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1593840080 ASVYYESZSNKAMQ-GHTZIAJQSA-N 444.023 4.781 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CCCC2)CC1 1594208982 PRGRRZZONIJWTP-UHFFFAOYSA-N 444.421 4.514 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2cccc(F)c2)CC1 1594448625 JXZPJHMUDTUHKF-UGKGYDQZSA-N 442.579 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1cnn(C)c1C 1594521447 NXKZGPDDPZAJAB-UHFFFAOYSA-N 436.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@](C)(OC)CC1 1594529142 QOUFUYFHUXJMSQ-DEOSSOPVSA-N 430.568 4.994 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1595165483 IGERMQLPGVQBJG-INIZCTEOSA-N 443.642 4.698 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(C)s2)C1 1595745861 XXHQRMXDABIBCQ-NRFANRHFSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(OC(C)(C)C)CC1 1595860452 PKSODSKMMABNTL-UHFFFAOYSA-N 430.618 4.657 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H](C)C2)c1 1597875535 ILVHVZXZOGURHC-SJLPKXTDSA-N 432.973 4.640 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 1616708414 OSWVAQNQHUWWKO-SFHVURJKSA-N 429.495 4.739 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(Br)cc2Cl)cc1 1621063020 VDOVXUKWCUCDFZ-UHFFFAOYSA-N 429.767 4.521 30 10 IJEE C#CCOc1ccc(CNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)cc1 1627847939 CECGJHJZWXTAFZ-SANMLTNESA-N 443.543 4.654 30 10 IJEE CC(C)n1cc(C2=CCCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)nn1 1628395143 GCZQUNFCGCYGPS-UHFFFAOYSA-N 426.524 4.794 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN(CC(F)F)C3)cc2Cl)c1 1632309516 HAWICUANGWEFRQ-KRWDZBQOSA-N 433.886 4.706 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C)c1ccc(Cl)cc1F 1635191808 QPOMQOLNLRMBCO-QGZVFWFLSA-N 446.906 4.585 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1ccccc1 1636977904 NMRFAVUXWIFHLC-AUMHUTNHSA-N 443.569 4.653 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(C)CCCc2cc(-c3ccccc3)no2)cc1C 1641666190 HADICBUEQYULOF-UHFFFAOYSA-N 430.552 4.770 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2Cc3ccccc3C(C)(C)C2)n(Cc2ccc(F)cc2)c1C 1642566951 FVYBMJCLVXWKCC-UHFFFAOYSA-N 444.554 4.896 30 10 IJEE CCCN(CC(=O)Nc1ccccc1OC)c1cc(C)c(C#N)c2nc3ccccc3n12 1651669855 AZQYMBXMXJIXKZ-UHFFFAOYSA-N 427.508 4.531 30 10 IJEE Cc1ccc(NC(=O)Nc2cccc3c2CCN(CCOc2cccc(C#N)c2)C3)cc1 1652448782 FCJARAYTAXDSMT-UHFFFAOYSA-N 426.520 4.948 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@H]1CCCc2ccccc21 1654898215 RXQWZWMFUFQFDI-SANMLTNESA-N 437.543 4.890 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccc1OC 1655746320 SIEXFTSHEOHJPP-GOSISDBHSA-N 434.458 4.564 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCc1nc2ccccc2[nH]1 1656076513 LIPNBNROYKAHFX-UHFFFAOYSA-N 425.945 4.908 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1OC 1656308265 OIABRWBBYNYJKE-PGRDOPGGSA-N 426.532 4.631 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2cccc(OC)c2)n1 1656340230 AMUQLHUCNDTJDA-UHFFFAOYSA-N 434.521 4.999 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1658091935 ZCNAYQYYFVSDIV-UHFFFAOYSA-N 435.705 4.581 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C12CCC2 1661979604 CYEBXUXAVIMLEX-OALUTQOASA-N 442.560 4.693 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)c1ccccc1 1662358242 GLYFTWLHIKSXJI-LJQANCHMSA-N 434.355 4.809 30 10 IJEE C=CCOc1c(Br)cc(CNCC(C)(C)C2(O)CCCC2)cc1OCC 1662663086 ZEOURPUAFWSUJV-UHFFFAOYSA-N 426.395 4.834 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)c1ccccc1 1663910011 OWEYMBIXFUCBDM-OAHLLOKOSA-N 427.975 4.872 30 10 IJEE Cc1c(S(=O)(=O)N(CCN2CCCCCC2)C2CCC2)sc2ccc(C#N)cc12 1664226512 FJGHHBGULHYWPK-UHFFFAOYSA-N 431.627 4.501 30 10 IJEE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1ccc(CC#N)cc1 1665115128 AHFWXJNLLIUOAL-DHIUTWEWSA-N 434.540 4.796 30 10 IJEE COc1ccc(Cl)cc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)cc1C#N 1667407756 ARDSOGNMNZIOIZ-QGZVFWFLSA-N 427.353 4.939 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 1667591571 AHHVBGDWAPTOQM-NRFANRHFSA-N 440.494 4.505 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1668911962 SBFVRLDOQVGZHA-QPPBQGQZSA-N 440.609 4.937 30 10 IJEE C=CCCSCCNC(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 1671101093 APGCVJKYRNILFB-UHFFFAOYSA-N 430.521 4.974 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC12CCC2 1673096571 DOQZLBKKXYDKDI-TZIWHRDSSA-N 438.572 4.557 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 1674026316 WVSVMFRBZRNPFO-KRWDZBQOSA-N 425.248 4.984 30 10 IJEE C=C1CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)CC1 1675936032 HXVCKELOLIQJEI-NRFANRHFSA-N 427.639 4.931 30 10 IJEE C#C[C@H](NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(Br)cc1 1682357335 XFVBXVGZDTXTIX-SFHVURJKSA-N 426.289 4.512 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccncc1OCCC(C)(C)C)c1ccc(Br)cc1 1683103140 CVDOWDUBNLMVRA-LJQANCHMSA-N 444.373 4.833 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1689906587 OTINQUMAOTVHDB-YADARESESA-N 429.609 4.780 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1689933957 DXCVEMMZCIFIBJ-HXUWFJFHSA-N 426.973 4.575 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCCCC1 1690060947 MWCPOSKVUGAUEB-UHFFFAOYSA-N 430.600 4.526 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCC[C@@H]1C 1690065279 RIXSVBHSZROMMC-BXKMTCNYSA-N 438.572 4.823 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCN2CCCC[C@@H]2C)CC1 1690382331 KUJCRCBCKFGMNE-QFIPXVFZSA-N 448.615 4.540 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1690406577 LHCBNJORKRAALB-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1690414730 IGKYPFMFDOUKMJ-FQEVSTJZSA-N 430.543 4.910 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690474252 YFJTXPMBEGEEQI-UHFFFAOYSA-N 448.880 4.936 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCc2cccnc21 1690613820 UQSBEODQILIITM-HXUWFJFHSA-N 437.975 4.752 30 10 IJEE Cc1ccc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1693021490 IYAJNMKABGYJEL-SFHVURJKSA-N 444.583 4.514 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(C(F)(F)F)CC2)CCO1 1694930652 DUXNOLHVZMBWHZ-GQOXECLESA-N 447.505 4.801 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1cccs1 1698344636 GXHITDYOBPGORG-CVEARBPZSA-N 427.599 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](c1cccnc1)C(C)C 1705479639 KLOONUPIYSEQTC-SIKLNZKXSA-N 439.567 4.628 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1705511513 WXSMWYKTFSXSRX-AZUAARDMSA-N 438.572 4.543 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCN(C)C1CCCCC1 1705620278 PQLRISMYAASNMF-UHFFFAOYSA-N 425.596 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1705675075 WRWFZARXNSDUII-YIXXDRMTSA-N 433.644 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1ccc(Cl)cc1 1705703602 UYCMDJKZRVRRNZ-AVRDEDQJSA-N 432.996 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC1(COC)CCCC1 1705713554 KUIPQEINHJHDSD-UHFFFAOYSA-N 426.561 4.673 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(Cl)s1 1705796100 ZBRPKDBFIICKNW-YJBOKZPZSA-N 439.025 4.956 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705808699 VCNBCWRICNTEST-GOSISDBHSA-N 427.618 4.642 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCC[C@@H]1CCCCO1 1705848381 IQMGZOXDWGWMEI-SFHVURJKSA-N 449.393 4.591 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H]2CSC)cc1 1705912039 XLUYIQYZAOHVID-FQEVSTJZSA-N 435.597 4.593 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2cc(C(CC)CC)no2)C1 1705918621 MPFLUEMIGORHDO-GOSISDBHSA-N 439.535 4.805 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)S[C@H](C)C1 1705948223 LRAZPTREIUGAJE-HDICACEKSA-N 427.643 4.531 30 10 IJEE Cc1cccc2c(CCn3c([C@@H]4CCO[C@H]4C(C)(C)C)nnc3N(C)[C@H](C)CC#N)c[nH]c12 1707634013 BEKRTUFQPKZMSM-JMUQELJHSA-N 448.615 4.968 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1cc(Br)cs1 1722299287 GOLVIBZEEPBRAJ-HNNXBMFYSA-N 429.387 4.508 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1722312810 JUTNBRCSUJNXOD-QFIPXVFZSA-N 431.540 4.502 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(Br)cs1 1722319182 LKAMZTGTGSRSJH-KRWDZBQOSA-N 437.407 4.784 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCC[C@H]1OC 1722375505 DMAOILODCOHLNH-FUHWJXTLSA-N 438.984 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCC1 1722467922 XPYKDUBISROHGW-WXVAWEFUSA-N 449.643 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(F)(F)F)cc1 1722472853 UNCUIUCVFKDRHU-OAQYLSRUSA-N 445.514 4.693 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[C@H]2CC)CC1 1722560606 FSMXVSSZLVPQES-MOPGFXCFSA-N 440.588 4.954 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[C@@H](OCC)C(C)C)CC1 1722560827 KAQZCPLKHINRCF-HSZRJFAPSA-N 434.588 4.943 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCSC(C)C)CC1 1722572495 UNVOSBDXEAWJJH-SFHVURJKSA-N 435.638 4.648 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2ccco2)CC1 1722575463 KMJLPGCFQVFMJV-UHFFFAOYSA-N 443.345 4.760 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)c2cccc(OC)c2)CC1 1722579298 NIUNWVTZKROHBK-UHFFFAOYSA-N 448.615 4.529 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC1 1722594965 HSPOJMHQTBBGDD-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1722605625 NVTAFCGQUBLLHS-UHFFFAOYSA-N 435.403 4.615 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1cnn(C)c1)C1CC1 1722646086 HXICTLOBRGQCHA-UHFFFAOYSA-N 431.371 4.773 30 10 IJEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCC(F)(F)C1)C1CC1 1722651861 UFCNZSFQJJYHNG-MRXNPFEDSA-N 449.571 4.640 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@H]1C(C)C 1722660627 AQMQPZAKDOQHQR-MPJJRAAHSA-N 428.552 4.551 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1OCCC1(C)C 1722675967 VPBWRMZJLTXOJZ-JOCHJYFZSA-N 436.625 4.981 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1722739151 ARFPHLHMVSVCFM-AWEZNQCLSA-N 443.564 4.934 30 10 IJEE COc1ccc(Br)c(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC2(C)C)c1 1730031350 BXLLBUCAQOGOTM-OAHLLOKOSA-N 444.377 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1740536035 YNWBZUSYABBMFV-URXFXBBRSA-N 442.611 4.712 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740601981 OCDOQQQPUWRWCB-BGYRXZFFSA-N 444.627 4.628 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(Cl)s1 1740713187 HRPIBULBCJDWHY-UHFFFAOYSA-N 433.002 4.671 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)c1ccsc1 1740776035 KRHOESXJPICNLH-DEOSSOPVSA-N 440.613 4.846 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)CC[C@H]1C 1740789393 KMEZGCIQAYELJL-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1740789809 QUGMHFUTOOVLFF-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCOc1cccc(Cl)c1 1740848293 HHQRCIKGJMIZKU-GOSISDBHSA-N 432.996 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2ccnn2C)C1 1740849284 DRKKWWQQUVISSD-NRFANRHFSA-N 448.615 4.597 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 1740853555 FZXVKUUMCRFNBZ-QZNHQXDQSA-N 437.632 4.845 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C)[C@@H]1C 1740858632 WHLPWBKTBUHPQH-LSDHHAIUSA-N 438.439 4.733 30 10 IJEE C=CCCCCn1c(N2CCC([C@@H]3CC3(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740867010 VDCIRRSMCGRURY-UGKGYDQZSA-N 438.563 4.547 30 10 IJEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1740885866 PMZLKXXDNNPDLR-QFIPXVFZSA-N 438.616 4.631 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC2(CCCCCC2)C1 1740945260 TYCOIVDNZCURBE-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCOC[C@H]2C)c1 1742150658 AFMBCJKZQFQDNT-NJDAHSKKSA-N 439.604 4.700 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C(CC)CC)N(C)C 1748652302 ZEFQJKIKOJGHQF-UZLBHIALSA-N 446.437 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CC[C@H](F)C1 1748889480 LNDCPVSWZRFSPQ-GGAORHGYSA-N 436.575 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccccc1C 1749135903 JKJONZFRBXSZAF-RQTOMXEWSA-N 448.615 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCc1ccccc1OC(F)F 1749154539 WBRHKTCOHJWXKR-UHFFFAOYSA-N 427.499 4.895 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cnn(C)c1C 1749170967 MRHJOVXAECRLOM-UHFFFAOYSA-N 449.386 4.657 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1749198734 SYFNCCBMGHYMHO-HXUWFJFHSA-N 444.366 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](OCC)C1 1749358888 RPCNWZKQCVJQSK-QFIPXVFZSA-N 434.588 4.738 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(OC(F)F)c1 1749466230 MNYCJMVBNYUSAV-CQSZACIVSA-N 449.889 4.738 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1oc(CCC)nc1C 1749571544 OVWALHBWVAJMJA-UHFFFAOYSA-N 430.556 4.912 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1750243436 FAVRTBWZYFHTCB-YFVAEKQCSA-N 425.602 4.639 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)[C@H](C)CC 1760099881 NGSNKNHTYJKRCS-MVYHEMRASA-N 433.600 4.608 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](COCC)C1 1760148827 NRAQQBWVQOQIMU-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1csc(C)c1 1760210927 WVWUTUHFAFLCPH-UHFFFAOYSA-N 445.375 4.655 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C1CC(C(C)(C)C)C1 1760242750 NEGHEUIWMAKPQG-VIQWUECVSA-N 428.552 4.640 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1760246047 JFYUYHNLJCMJRL-GHTZIAJQSA-N 445.007 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(CC)C1 1760326619 XMQZJVXLBSZDLR-RVSNTGDXSA-N 428.552 4.604 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1)c1ccccc1 1760362781 VOBHAGRVBMINJS-JOCHJYFZSA-N 447.583 4.693 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C(C)C)N1CCCC1 1760492754 FVAMWFPZNNWSSC-DEOSSOPVSA-N 432.616 4.736 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1760497568 KQQSQKONNOKOPF-UHFFFAOYSA-N 441.583 4.574 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C[C@H](C)c1nccs1 1760507772 DXNRCFNNZZMMRC-KRWDZBQOSA-N 435.553 5.000 30 10 IJEE O=C(C[C@@H]1SC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)NC1=O)c1ccccc1 1772741732 AAXRZFKKIQYRCL-FQEVSTJZSA-N 437.908 4.795 30 10 IJEE C[C@@H](Oc1cccnc1NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccccc1Cl 1858846515 NAJADIPQTKZBTN-CQSZACIVSA-N 435.871 4.657 30 10 IJEE COc1ccc(-c2nc3ccc(C(=O)Nc4c(C#N)cnn4-c4ccccc4)cc3o2)cc1 1859744249 XXQSVZGUMSIXBN-UHFFFAOYSA-N 435.443 4.813 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1 1861138017 UMQQYMAEWDXSFG-RUZDIDTESA-N 438.612 4.919 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Br)cc1 1862422737 LSFZFMRHSRNKQM-QGZVFWFLSA-N 436.252 4.714 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC(C)C)c1 1862459793 OJPXAPKFLIXJMI-FQEVSTJZSA-N 433.426 4.737 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(O)c(O)c2)cc1 1862536137 RQUMFTCYLPYFJQ-QFIPXVFZSA-N 449.528 4.543 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc([N+](=O)[O-])cc1 1862546830 GWBIBDKSKYPFAG-OYHNWAKOSA-N 434.492 4.850 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2F)cc1 1862560383 HQRHMRCQENGWDO-QFIPXVFZSA-N 434.442 4.634 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862564441 ANNYNJABAWJBRA-XMMPIXPASA-N 447.579 4.810 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)cc2)cc1OC 1862575617 AZTBFOQMWRDZKI-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCO)cc1 1862583765 JQDYTSHULYDEIS-LJQANCHMSA-N 434.319 4.687 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1F 1862605944 HCZAOIGLMSCMCT-JOCHJYFZSA-N 439.483 4.756 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(C(C)C)cc2)cc1 1862665130 ZNLKJCMYJFXKQC-DEOSSOPVSA-N 448.563 4.648 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862674036 RLNWPEHAJOBFGP-FQEVSTJZSA-N 425.456 4.847 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029653 SVUVRVRVCVFAHE-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(OC(C)C)cc2)C1=O 1863696418 KIPJDCHJCOEZNE-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2cc(OC)ccc2OC)C1=O 1863717521 PXMRBMIYIFWXGF-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE COc1cccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3C[C@H](C)OCC3(C)C)n2)c1 1868515835 HKYQABSSUHAOPT-KRWDZBQOSA-N 429.524 4.771 30 10 IJEE CC(C)(C)c1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc3cc[nH]c3c2)cc1 1870145981 YXTXACZBMRHCSP-UHFFFAOYSA-N 442.523 4.715 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CN(CC)CCCC 1870403754 WKLKMWPKISWSPW-UHFFFAOYSA-N 439.600 4.545 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1cc(C)cc(C)c1 1870840733 JEOBKBBNBZRGBX-UHFFFAOYSA-N 426.557 4.766 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1cccc(C)c1 1870901965 WIPQNLMGZYUOID-UHFFFAOYSA-N 432.520 4.502 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(N(C)C)c([N+](=O)[O-])c4)cc(C)c3C2=O)o1 1871363612 GWZGEYXSBLYQKD-NHDPSOOVSA-N 448.431 4.706 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3ccccc3[N+](=O)[O-])ccc2C1=O 1871374435 KGZGQOUXAJWYKB-QRVIBDJDSA-N 445.427 4.758 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872075786 SRIWENJNYURRMQ-AWEZNQCLSA-N 441.380 4.760 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872414158 WYKCBTUEFCGNIV-QFIPXVFZSA-N 446.638 4.549 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(=O)O)cc1 1874255886 JIKHYVMACRJKPR-ZMOGYAJESA-N 436.537 4.641 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(Br)cc1 1874293175 ZZNBTTOQZSMMFN-CIAFOILYSA-N 447.358 4.622 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cc(Cl)ccc1O 1874299950 AQXVHJBNWCQOSJ-FSJBWODESA-N 428.945 4.993 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2cccn2C)c1 1874310452 WMZSSPNZBQDNEX-WGOQTCKBSA-N 449.555 4.724 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)ccc1O 1874445646 HJCZZGHZRVKAJP-KCDOPAPYSA-N 444.944 4.672 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccco2)cc1 1874463822 DCHODXBKVQEWTM-BUVRLJJBSA-N 447.520 4.550 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2F)c1 1874489432 RHJQTGCPHKCQLZ-DHRITJCHSA-N 439.560 4.846 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)c1 1874495112 VCDVVEQHXZUTSN-DHRITJCHSA-N 449.580 4.789 30 10 IJEE COCc1nnc(SCc2ccccc2F)n1/N=C/c1c(OC)ccc2ccccc12 1874501464 IWNWSEQLZWFSAX-DHRITJCHSA-N 436.512 4.900 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2CCc2ccccc2Cl)cc1OCC 1874566469 XXRZVWADLITLNC-OEAKJJBVSA-N 430.961 4.685 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 1874737929 UIJMCMZPTKLLKV-UHFFFAOYSA-N 428.872 4.714 30 10 IJEE N#Cc1ccc(Cl)c(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1885411327 CXWLBDKQQOGTPM-UHFFFAOYSA-N 431.879 4.689 30 10 IJEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1955667313 WCUWOEUDIVKMEO-XXBNENTESA-N 441.553 4.836 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2079062461 QAEYDEBPORPYNG-CSLHCHJMSA-N 433.240 4.787 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(F)(F)F)c(C#N)c2I)c(F)c1F 2079952612 KOSYMKTZXFHOTD-SSDOTTSWSA-N 441.141 4.574 30 10 IJEE N#Cc1cnc2c(-c3ccccc3I)c(C(F)(F)F)nn2c1Cl 2081443374 YBCRHMJZDDDHGF-UHFFFAOYSA-N 448.573 4.545 30 10 IJEE C=CCN(CC[C@H](NCC)c1c(Br)cnn1CCC)C(=O)OC(C)(C)C 2099293069 OPNDSRRCVQXCOJ-INIZCTEOSA-N 429.403 4.519 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2ccc(C#N)cc2Br)C1 2106104812 XWGLFUBFAXDIBO-CYBMUJFWSA-N 430.293 4.625 30 10 IJEE CCCN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2118198197 DEUPWBVLDAXYDQ-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1C#N)c1cccs1 2124722399 SCIGAHVGYAORNY-OAHLLOKOSA-N 436.331 4.587 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2174764996 GHWXTIOMAFZFOO-QEJZJMRPSA-N 438.341 4.684 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(c1ccc(C#N)c(Br)c1F)C1CC1 2174811654 ASHBOKUIUJSWJU-OAHLLOKOSA-N 438.341 4.828 30 10 IJEE C[C@@H](NC(=O)c1scc(Cl)c1Cl)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631400 NIPXZNMAQSZCTJ-SECBINFHSA-N 432.203 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181141486 LWIGJMRHNULHRT-HOCLYGCPSA-N 436.350 4.733 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(Br)nn(C)c2C)cc1 2188136929 FUECNPMROWSDEB-OAHLLOKOSA-N 435.322 4.506 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190479672 VHMCEWMVILCBKB-KELGSRBJSA-N 448.416 4.509 30 10 IJEE CC1(C)CC[C@](O)(C#Cc2ccccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 2235739318 HGBUMNCKAQJECO-VGOFRKELSA-N 436.390 4.883 30 10 IJEE COc1ccc(CNc2ccc(Br)cc2I)cc1C#N 2240343432 RURJIJSNGCTRLY-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](O)C#Cc1ccccc1Cl 2245955209 ASLXGZVROSRNDM-SFTDATJTSA-N 429.944 4.553 30 10 IJEE Cc1cc(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)ccc1NC(=O)OC(C)(C)C 2266063203 XYGIUJODNOSZPL-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)cc2C(=O)N(Cc2ccccc2)C2CC2)OC1(C)C 2267008240 DEFNYIJXXFXDAV-UHFFFAOYSA-N 445.290 4.809 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)C#Cc1ccc(Br)cc1 2278738399 VPZBMYRHTAUNBI-KRWDZBQOSA-N 434.355 4.567 30 10 IJEE O=C1NC(=Nc2ccc(C(=O)O)cc2)SC1=Cc1ccccc1OCc1ccccc1 2295223185 YHIQZDOYKWGIMN-UHFFFAOYSA-N 430.485 4.855 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ccoc1CNC(=O)OC(C)(C)C 2296220590 ZYRDXPZKZYHQBU-SFHVURJKSA-N 433.346 4.769 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2296221667 KOSDCCWRVBVANY-YJBOKZPZSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]12C[C@@H]1CCCN2C(=O)OC(C)(C)C 2296307264 RSLLJMMAJDSYLF-KPLVRAHFSA-N 433.390 4.568 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(N)C#Cc1ccc(Br)cc1 2296310136 FQMQJEDHSNBULL-PGRDOPGGSA-N 435.406 4.801 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2305317187 SQCXMSKYWTVHHG-QDMVCWPOSA-N 428.573 4.601 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)SC1=S 2313653051 ISDKIZMPWCOIBV-UHFFFAOYSA-N 445.949 4.955 30 10 IJEE C#CCOC(=O)C=Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 2314014827 VHUFMOUXQCYJJT-UHFFFAOYSA-N 435.701 4.880 30 10 IJEE OCCSc1nnc(C2CC2)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2320902094 XFXQGFHFJYUDOD-UHFFFAOYSA-N 444.560 4.854 30 10 IJEE CC(C)[C@H]1C[C@](O)(C#Cc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321515536 PCWHIYBXAPASMH-FYYLOGMGSA-N 442.353 4.599 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2321856539 CFULQOURVZRXSF-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE CCOC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1 2321988285 YNKRYCFTVFTXBN-UHFFFAOYSA-N 445.471 4.733 30 10 IJEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)NCc1ccco1 2322528060 FNPVEKLZNWEVOL-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCc3nc(O)c4ccccc4n3)c2)cc1F 2323202489 ASRJZWMOTOOUBV-UHFFFAOYSA-N 430.435 4.958 30 10 IJEE Cc1cc(OC(=O)c2cnccn2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2323203317 UJJHSECTBFYALR-UHFFFAOYSA-N 427.243 4.927 30 10 IJEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccnc2)C3=O)cc1OC 2323692070 APVYJYNKTUZITI-UHFFFAOYSA-N 443.455 4.724 30 10 IJEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2325471394 OYQZCSIINIRREO-UHFFFAOYSA-N 444.487 4.731 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)cc1OC 2326661113 BKBFFHNNVZTQOB-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2N=Cc2ccc(OCC)c(OCC)c2)cc1 2328561814 VFSNVWYAULMPLR-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccnc2)cc1 2328570490 FNGKUNFJBHBCJJ-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2329674509 MNYIKLSDPSKVNR-UHFFFAOYSA-N 446.598 4.535 30 10 IJEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(O)c(O)c2)cc1 2329874183 FPVSOFVQJNKUDX-UHFFFAOYSA-N 446.532 4.751 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1F)Nc1ccc(F)cc1 2330641120 QQVTZYNVUQTGPV-UHFFFAOYSA-N 449.486 4.836 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)c1cccnc1 2331175787 SQFOQIRGRPYWCO-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1cccc(F)c1 2331630604 QEOYGHQIFCCIHM-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(OCC)cc1 2331636687 LZYVZLFYFWMMOR-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE COc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)cc1 2332188511 FLSJPHLIALADQG-UHFFFAOYSA-N 435.487 4.775 30 10 IJEE CC#CCN(C[C@@H](NCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2337903866 KPQZXXVGDGYBBE-MRXNPFEDSA-N 431.321 4.638 30 10 IJEE C=CCC[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339574462 IGRGMRYTMPCWHS-LJQANCHMSA-N 444.381 4.965 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C 2358671972 QCPORMDXDCVZRZ-VDGAXYAQSA-N 435.406 4.957 30 10 IJEE NCCCO[C@@H](C#Cc1cccs1)c1sc(Cl)cc1I 2366696864 WLMJQZPKZVPQNC-LBPRGKRZSA-N 437.755 4.526 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)n1 2479007 BQENCIVADLPDKC-QFIPXVFZSA-N 447.922 4.892 30 10 IJEE COC(=O)N1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C#N)C1 9446769 GCCDHCKMPNDQOW-UHFFFAOYSA-N 433.489 4.789 30 10 IJEE CCc1ccc(-n2c(SCC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)cc1 11200084 HAGMAVPEDOZGMV-UHFFFAOYSA-N 440.528 4.551 30 10 IJEE CCc1cccc(N/C(=N\C(=O)c2ccccc2)N2CCN(Cc3ccccc3F)CC2)c1 15729155 YQEDIWVGYFHATI-UHFFFAOYSA-N 444.554 4.814 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1C(F)(F)F 20839775 LUZWZCNMLJQMTL-UHFFFAOYSA-N 444.788 4.886 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(Cl)c2)cc1 21254874 FXVMMIQOTXIBQZ-WMZOPIPTSA-N 425.912 4.752 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 33379832 DOKYHVOFJGWZCH-QHCPKHFHSA-N 442.471 4.870 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)c1 33404949 REBJICASVCUIBW-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OCC(=O)c4ccc(F)cc4)ccc3C2=O)c(OC)c1 35352439 ZPCQOTMNTXOTGL-BHGWPJFGSA-N 434.419 4.721 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(=O)CC 36051468 RDQTWOGAKLFHOI-UHFFFAOYSA-N 436.943 4.864 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OCC)cc1 40095845 DHOSTCBCBSUTCH-WAIKUNEKSA-N 435.520 4.787 30 10 IJEE C=CCc1ccc(OCCCn2c([C@H]3CC(=O)N(C4CC4)C3)nc3ccccc32)c(OC)c1 40182955 ORYHZFQINHEAHT-FQEVSTJZSA-N 445.563 4.721 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)c1 41354596 LCCMOOWRGCWLFU-NHDPSOOVSA-N 436.485 4.838 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 41358124 FFPJHWJZOYFUCV-XKZIYDEJSA-N 445.427 4.676 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4cccc(OC)c4)cc(C)c3C2=O)cc1 41504052 JOJCQDHSMFFKEX-QRVIBDJDSA-N 430.456 4.985 30 10 IJEE CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 102406895 FRDFHYOUYKZOOQ-WZTHKDHVSA-N 441.862 4.949 30 10 IJEE C=CCn1c(-c2sc(NC(=O)c3cc(C)nc4ccc(C)cc34)nc2C)n[nH]c1=S 111200781 MDFRMNRLTKMEIB-UHFFFAOYSA-N 436.566 4.976 30 10 IJEE CCCCCCCCCOc1ccc(/C=N\n2c(SC)nnc(C)c2=O)cc1OC 169882553 NQOGSQATHJEYJR-KQWNVCNZSA-N 432.590 4.689 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1cccc(F)c1 169940306 WHPHZISTBGVQSN-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)cc1 169964652 UCSSAFBBBHHPEO-DEOSSOPVSA-N 431.463 4.629 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccn1 169999226 YVLVUJIBNWDCIZ-JOCHJYFZSA-N 441.512 4.793 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@@H]1c1ccccc1C 170087439 QHAIQAUDYCWTOI-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2O)c1 170141454 KRZVCVJTCATMEQ-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2F)c1 170248635 UAJOHNOHLFFMPE-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccco2)cc1C 170278842 ANJKPQHCPPZETR-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)ccc4O)[C@H]3c3ccco3)oc12 170289189 MOKUSLKRNVFCKZ-NRFANRHFSA-N 445.427 4.831 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccco2)c1 170297198 PAXREWUDZAHTFD-HSZRJFAPSA-N 429.472 4.610 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2sccc2C)c1 170316811 OJPSXSDHKDZMBR-HXUWFJFHSA-N 434.517 4.629 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1c[nH]c2ccccc12 170422937 STBDQHARMIQFGE-XMMPIXPASA-N 438.483 4.955 30 10 IJEE COc1ccc(OCCOc2ccccc2C=NNC(=S)Nc2ccccc2C)cc1 254302903 LXZKYEZWWVRJCJ-UHFFFAOYSA-N 435.549 4.782 30 10 IJEE N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(I)c(Br)c1 312243423 IMMPBVVYNLQCOZ-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 460794214 NPGPBQKGGPZNKO-LJQANCHMSA-N 435.355 4.543 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2C)cc1 482485141 TYQSAVQXNVHTAF-UHFFFAOYSA-N 434.927 4.901 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)c1nc(C(=O)OCC)cs1 501956217 JTSOSSWFMKXVFE-NSHDSACASA-N 429.325 4.613 30 10 IJEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(C(=O)c2ccccc2)CC1 508886162 XPEUZUPDXNKVID-UHFFFAOYSA-N 441.579 4.516 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508921449 ZAZHXFNRDUVHRZ-INIZCTEOSA-N 434.569 4.870 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)c(OC)c2)c1 526488490 JSDVDIOVELZXEG-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE COc1cccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1OC 526605983 APYCOMXSGHJXBC-QFIPXVFZSA-N 430.435 4.772 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc1 548938893 NMUVRXHFJBRDHB-OAQYLSRUSA-N 435.421 4.724 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C2CCOCC2)CC1 549693553 RDWOPBDKZIGXCD-SFHVURJKSA-N 428.552 4.776 30 10 IJEE CCOc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 586245133 NKJZPVDBACWDNA-UHFFFAOYSA-N 436.533 4.670 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 601187742 LFGUWNMPSNREIY-NRFANRHFSA-N 436.559 4.929 30 10 IJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 710803443 VLJLGLFCIWKSDN-ZONZVBGPSA-N 434.624 4.543 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(C2CC2)C(=S)N[C@@H]1c1ccc(O[C@H](C)C#N)cc1 731432719 LJINPUIHKHRNGN-WAIKUNEKSA-N 431.561 4.680 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 735309561 ITTCOZLYJJTORM-INIZCTEOSA-N 426.879 4.811 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 735569931 FREBXBPALZTFRT-XMSQKQJNSA-N 445.485 4.922 30 10 IJEE N#Cc1cc(C(=O)OCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)ccc1Cl 754920841 MFMSVLDKVVFKRZ-QFIPXVFZSA-N 430.891 4.543 30 10 IJEE C=CCN(C(=O)Cc1ccc(Cl)nc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 766298655 YKPWGIKWVOORCF-UHFFFAOYSA-N 428.901 4.837 30 10 IJEE COc1cc(C)c(C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1OC 787048534 BNRNUQAQWDQVRQ-WBMJQRKESA-N 435.307 4.519 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 790246950 BJVKBGXRLAPWNW-VWLOTQADSA-N 438.572 4.615 30 10 IJEE CCO/C(O)=C1/N=C(C)C(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccccc2)=C1C 917614067 XTUWGWYJFAYBDL-UHFFFAOYSA-O 447.540 4.566 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc(C)c2)n[nH]1)c1ccc2ccccc2c1 1084615508 ZRVKOVHALKDIGY-UHFFFAOYSA-N 430.537 4.833 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc(OC)c1OC 1125545155 WKYUKEWUAXPSCF-UHFFFAOYSA-N 443.503 4.808 30 10 IJEE C#C[C@H](CC)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1129728424 LGBOVVFICNWGGH-QGZVFWFLSA-N 431.483 4.724 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)cc21 1134354303 VXGLZIAKBDJDMN-LJQANCHMSA-N 443.334 4.772 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 1141268781 DXWLDSIPALAWSH-UHFFFAOYSA-N 440.952 4.969 30 10 IJEE C=CC[C@]1(C(=O)N2CCC3(CC2)C(C)=Nc2ccccc23)CCCN1C(=O)OC(C)(C)C 1164355581 FNIKWTKZUXLWNB-AREMUKBSSA-N 437.584 4.999 30 10 IJEE COC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)Sc1nc(C(F)(F)F)ccc1C#N 1189165922 FXFGNVITLXSZBT-CYBMUJFWSA-N 434.361 4.867 30 10 IJEE C#CCN(CCC(=O)Nc1cc(F)ccc1C)[C@@H]1CCOc2ccc(Br)cc21 1191039284 ONBAYTRQMSIKBP-HXUWFJFHSA-N 445.332 4.684 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1 1199786548 FMYBFPATHKAJNF-LJQANCHMSA-N 428.838 4.867 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1221846069 QUJSVKFZEGVIMN-BVYCBKJFSA-N 434.024 4.926 30 10 IJEE C=CC[C@@H](NC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccncc1 1222021329 FWIHOZRCMWYOHT-AREMUKBSSA-N 442.563 4.810 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1)c1ccc(F)c(F)c1 1226659103 HSQXRXISRCMELR-OAQYLSRUSA-N 430.499 4.897 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)cc1 1248612946 ZEHJLEWDJBHSBL-UHFFFAOYSA-N 446.526 4.937 30 10 IJEE C=CC1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)CC1 1265169527 GLLCEUWYQKAWOZ-AHWVRZQESA-N 432.564 4.913 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC)(CC)C1 1286313711 DRXWNQKABYNMDD-UHFFFAOYSA-N 442.007 4.682 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCN(C(C)C)C(C)C 1286439269 UATWVXFWGUSUEZ-UHFFFAOYSA-N 446.437 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnc(C)s1 1286518549 GQZKHHJVCRZFHK-HOYKHHGWSA-N 435.597 4.840 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC1 1286554612 YOOMAYPSTCXBMY-YOEHRIQHSA-N 437.407 4.597 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccsc1 1286562458 ABORJMWXCLDJJI-NFBKMPQASA-N 438.597 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@H]1C 1286566922 KINONWAJPIFBJB-IRLDBZIGSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1Cc1ccc(N2CCC(C)CC2)nc1 1286744539 KWASPSIIIAVESZ-UHFFFAOYSA-N 434.563 4.598 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN(C)C2CCCCC2)C1 1286802155 PCZLMNNFQMQRHZ-DEOSSOPVSA-N 437.632 4.553 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286827098 CTDOSMJVRPOOKC-IFXJQAMLSA-N 436.984 4.661 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2)C1 1286827244 HZQNTXRWSYRISA-IBGZPJMESA-N 425.989 4.907 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CCOC2(CCCC2)C1 1286834102 ABGVKUMYWKISJD-UHFFFAOYSA-N 426.630 4.522 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1291081629 DVEPGCHMFKIVEQ-IIMJZQEZSA-N 432.341 4.586 30 10 IJEE C#CCN(CC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1)C(=O)OC(C)(C)C 1292338022 LOFAQCBMHNZPOR-OAQYLSRUSA-N 426.944 4.610 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCC(C)C)C1 1292340555 BJVOYLFBIALPSH-DQEYMECFSA-N 439.604 4.542 30 10 IJEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CCCC2)C[C@@H](C)O1 1293636561 DHQSERUJQSAWGO-CTNGQTDRSA-N 437.588 4.703 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccsc1)N(C)C)C1CCCCC1 1298023048 APMOGFQELMZYGM-QFIPXVFZSA-N 434.613 4.950 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1300895066 LSDYHCCLTWZTBM-JKSUJKDBSA-N 436.482 4.621 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)C[C@@H]1CCCO1 1300975533 WFTQAGBSVFTHHM-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC2(CCC2)C1 1301176806 LVMYIVPFAXWRMX-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1301198920 UXSXKPCKOPYIGB-VQIMIIECSA-N 433.478 4.720 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301207738 FZFIUHVKFJTQDR-CVDCTZTESA-N 436.556 4.945 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCCCC1)C1CC1 1301314442 WTGNRCLBBAMTMU-IBGZPJMESA-N 441.595 4.977 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1Cc1cccnc1OC 1301406114 OKZJKURTBKYILH-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1C)[C@H]1CC[C@H](C)C1 1301744891 HMJYTVHYZQLCBE-UWJYYQICSA-N 435.597 4.876 30 10 IJEE C#Cc1ccc(S(=O)(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)cc1 1309808141 BWAQVZUYHQIHFN-UHFFFAOYSA-N 433.863 4.870 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 1311299628 UUYZWSBMORGKSG-UHFFFAOYSA-N 437.931 4.773 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCCC1(C)C 1312205063 UCNHCPMFYMPHEF-DEOSSOPVSA-N 427.633 4.834 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 1353842197 QJRYFXVHUTWEAS-WQLSENKSSA-N 427.220 4.908 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)NC(C)C)cc1 1355695496 CRXVFJXDGDOIMD-UHFFFAOYSA-N 429.495 4.991 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCCN(C)C(=O)c1ccncc1 1355872787 DSJJRVJZQIMIPJ-UHFFFAOYSA-N 428.492 4.545 30 10 IJEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1sccc1Br 1358942303 QFRZLZYOXBXDEU-UHFFFAOYSA-N 427.327 4.633 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccoc1 1359049465 PTVJNYDWKMLSGX-MRXNPFEDSA-N 430.961 4.667 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1359090554 CQCRKTGFJBXTAZ-LPOZWGFCSA-N 426.580 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(C2CC2)C1 1359108800 DHAGDAWVJXQXTP-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1359124288 UVUGCCOJCOETKT-GJZGRUSLSA-N 437.407 4.526 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CC2(CCOC)CCCC2)CC1 1359168573 AELKLCAKBBXQIF-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2c(C)noc2C)CC1 1359176108 MLATVJHEAKLEII-CQSZACIVSA-N 426.952 4.804 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(F)cc(F)c1 1359204987 IAGDRXNCTVWOHI-UHFFFAOYSA-N 436.510 4.788 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(C)C)nc1 1359264404 DXDGUOGMVZRUHS-HXUWFJFHSA-N 439.585 4.614 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CCCc1nc2c(s1)CCCC2 1359525481 DXXFHLRJOOKHRA-UHFFFAOYSA-N 440.661 4.965 30 10 IJEE C#CCOc1cccc(OC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 1435080793 NXUTZRTWNXQMRX-JQYIIUTOSA-N 447.575 4.794 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)Cc1csc(-c2sccc2Br)n1 1435822418 SNBHVRXGRBWVSQ-UHFFFAOYSA-N 437.306 4.591 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1 1436649348 SSHYDZPQTDQMFG-VQTJNVASSA-N 430.907 4.578 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1C(=O)NC(C)C 1441693703 VUQMVFDVCXPRTN-QGZVFWFLSA-N 437.968 4.666 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 1451179315 OFQZXRSLAASDPF-INIZCTEOSA-N 431.113 4.993 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)nnc1-c1ccc(Cl)cc1 1458673768 UZNHDMPBOZOROE-QZTJIDSGSA-N 449.020 4.585 30 10 IJEE C#CCN(Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1)[C@@H]1CCc2ccccc21 1461988167 JZIFPTLSCGJULK-XMMPIXPASA-N 431.561 4.959 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 1467826534 RHUVMZKCWWVURJ-SFHVURJKSA-N 425.356 4.791 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)c1 1472093727 VOBQSENPTVWXHS-UHFFFAOYSA-N 431.517 4.552 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(OC)c1 1472999375 ONVWHJHNTVLVLG-QKIGPUQLSA-N 440.613 4.561 30 10 IJEE O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1c1cccc(F)c1 1474822332 FMMVJUARHFBNTM-LWOQNUMLSA-N 433.389 4.511 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 1476728735 KOIJPGMDZKFOHE-INIZCTEOSA-N 432.362 4.656 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 1478751031 OLJLKEHARYZVTQ-IBGZPJMESA-N 425.495 4.805 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CC[C@H](F)C2)cc1 1502850603 CMCPNIVEMODPQI-YRXWBPOGSA-N 429.540 4.693 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1C1CCCCC1 1507537271 TWRHQSZRSBOHHB-AUSIDOKSSA-N 440.035 4.777 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1cccnc1)C(C)C 1507663408 ZFRLGCLXXWNLOH-HSZRJFAPSA-N 437.547 4.989 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCCCC1 1507762946 GMNIGPOGEFFUDH-HHHXNRCGSA-N 449.643 4.848 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1Cl 1507804991 MYCNYLJYYYTMMH-AUSIDOKSSA-N 437.975 4.535 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)c1ccccc1 1507851404 NRDLPBRKYKGOMN-UHFFFAOYSA-N 435.616 4.561 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507930032 XIQYCVZLHGHMNL-UHFFFAOYSA-N 429.609 4.905 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCC(F)(F)C1 1507972499 WZMIFFIZJRLKHC-SFHVURJKSA-N 431.531 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)c1nccs1 1507973454 DTYPXHUDGULIQF-LBPRGKRZSA-N 436.354 4.729 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1508006791 LLPAZGHYMYUZBL-SIKLNZKXSA-N 439.629 4.989 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)[C@@H]1C 1512284559 GPPKQBDDDUUXGP-ZIAGYGMSSA-N 442.386 4.924 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1513636635 BZDJIRAIDXOOOB-GHTZIAJQSA-N 439.604 4.838 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1514089762 DUWQMRVJJYSNNR-NHCUHLMSSA-N 434.632 4.811 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CC)[C@H]2C)c1 1517653951 BVJPCDYFZNRUGD-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1Cc1cscc1C 1519150534 CKRNEXWEOCJYJW-UHFFFAOYSA-N 447.564 4.789 30 10 IJEE COCCN(CCC#N)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1[C@H]1C[C@H]1C 1519161015 DOMZNIVWUOWHHS-LJHODMEESA-N 431.968 4.636 30 10 IJEE C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1520486304 AKGBELNKGKZAHA-LBPRGKRZSA-N 445.704 4.566 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cccc4cnccc34)C[C@@H]2C)cc1OC 1525016137 PBVXOYAZZDYNIV-BQYDLMEBSA-N 443.547 4.559 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2ccccc2OC)cn1)c1ccc(Br)cc1 1528087519 FGOYRJSBIDASMP-GOSISDBHSA-N 437.293 4.749 30 10 IJEE C#CCSc1ccc(COC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)cc1 1529135482 KTSBQAAZPSOZAD-UHFFFAOYSA-N 436.554 4.743 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C)C(C)(C)C)ccc1Cl 1530012374 NTOJOKIMQRQNLZ-UHFFFAOYSA-N 438.952 4.731 30 10 IJEE COC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)n(-c2ccccc2)n1 1534583418 FGQJVFVYDSXXLY-ZIAGYGMSSA-N 434.521 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1oc(CCC)nc1C 1538974281 SDNWMPVKODTQJI-PXNSSMCTSA-N 435.572 4.790 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cnn(CC(C)C)c1C 1539034447 DBYJIXJHSLEPGS-LJQANCHMSA-N 436.629 4.546 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1539056261 WBDMATOIJZLAIZ-NRFANRHFSA-N 435.959 4.845 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1C 1539305103 PKQOPRYDMCXOTH-HKUYNNGSSA-N 425.374 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCc1nccs1 1539622938 IYNYKGZQMCQDTA-JXFKEZNVSA-N 444.004 4.715 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C)CC1 1539952456 DAYCLBMIFQCCNL-GOSISDBHSA-N 444.649 4.529 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1539988766 CRWIYFQEJWCFIL-UHFFFAOYSA-N 449.624 4.934 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC2(CCCCC2)C1 1540037516 NBJVKYAIGJPZHW-UHFFFAOYSA-N 445.007 4.655 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1sccc1C 1540074327 XTNLCVUQYIDTQK-UHFFFAOYSA-N 445.633 4.627 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CC[C@](C)(CC)O1 1540122805 ZVFVUFHPHHXPHF-BWKNWUBXSA-N 430.556 4.685 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1Cc1oc(CCC)nc1C 1540133309 DJPSDVMKUYUXDV-UHFFFAOYSA-N 434.519 4.902 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540133518 GXQDEHWWRCECKH-ACDBMABISA-N 435.547 4.875 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1540919965 JYHZNUSHKDOLAI-HXUWFJFHSA-N 432.659 4.663 30 10 IJEE CN(C)c1ccc(/C=N\N=C2/S/C(=C\c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 1554646588 VVJZTPJYNQUGQZ-DOSRWIIRSA-N 446.532 4.558 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1557475713 TXFPCBAWVURJFS-FDDCHVKYSA-N 442.581 4.751 30 10 IJEE C#CC[C@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1ccccc1 1559702047 IUSZQZBCBCOUSC-JTHBVZDNSA-N 431.923 4.965 30 10 IJEE C=CCN(C(=O)CN[C@H](COC)C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1559736428 KQJHPHOVPUKZCB-QGZVFWFLSA-N 442.412 4.897 30 10 IJEE CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1562321632 AZAMKSDHMKXYOF-DHLKQENFSA-N 435.524 4.689 30 10 IJEE C#CC[C@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)c1ccccc1 1564385924 VMYJVRNEHNUUGI-NRFANRHFSA-N 430.458 4.843 30 10 IJEE C=CCOc1ccc(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc1OC 1565591861 FBIHWKLBRSWFLU-OAQYLSRUSA-N 428.960 4.698 30 10 IJEE C=CC1(CC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CN(C(=O)OC(C)(C)C)C1 1565704009 VQPWSLVDNMUMFD-SFHVURJKSA-N 437.005 4.770 30 10 IJEE N#CCc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 1569186563 FSAIVKKZPBOSDA-UHFFFAOYSA-N 438.281 4.542 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1CSC1=NCCS1)c1ccc(Br)cc1 1569673182 CVUIUXJZDLVRPK-GOSISDBHSA-N 445.407 4.889 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2ncc(C(N)=O)cc2Cl)cc1 1585241413 DNXPDSYUKLVQGO-UHFFFAOYSA-N 443.315 4.762 30 10 IJEE C=CCOc1ccc(CC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc1 1586051486 YZGSZUBRVIUDBA-UHFFFAOYSA-N 433.527 4.730 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[C@@H]1C 1587599836 RJXWGQCGCBIVCY-ZOBUZTSGSA-N 431.378 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(OC2CCCC2)nc1 1587661967 KGEOZOVNNPUFFT-NRFANRHFSA-N 443.595 4.676 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1CC1(C2CC2)CCC1 1588254334 URPKEUIXNMGDNJ-UHFFFAOYSA-N 434.609 4.622 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)s1 1588559429 GWBHCYDEIQNPPA-GOSISDBHSA-N 430.936 4.672 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCSC1 1589614668 BFJNJIDECJDZJM-CYBMUJFWSA-N 427.437 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1594477384 CKXWDRWUIBMGLB-UHFFFAOYSA-N 449.624 4.880 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1594510808 AKRHCZHKUUHRHB-RXVVDRJESA-N 437.613 4.894 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC=CO1)C1CC1 1595033795 PVWDBHBBZKSINM-SFHVURJKSA-N 429.362 4.864 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1Cc1csc([C@H](C)OC)n1 1595190855 JVZKSQMLSYQLRC-HNNXBMFYSA-N 429.977 4.989 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCOc1ccc(Cl)cn1 1595200718 ODZDRUUOHVFMPO-UHFFFAOYSA-N 448.958 4.743 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)C1 1595688469 JUSRKLRGJPBFIG-WIYYLYMNSA-N 433.581 4.538 30 10 IJEE CC(C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(C(F)(F)F)cc1 1596493000 HRPFSGNCDMZZNY-CQSZACIVSA-N 449.860 4.635 30 10 IJEE CC(C)c1nc(CCn2c(-c3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)cs1 1598350395 CJKXNCQUCDVGEJ-UHFFFAOYSA-N 443.580 4.671 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Br)s2)C1 1612835336 FIAZXSZKJZVCMK-CQSZACIVSA-N 442.386 4.730 30 10 IJEE CC[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1621881659 GIIPQOKDUHEKPN-AZUAARDMSA-N 433.371 4.668 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2c(OCc3ccccc3)cccc2C(=O)OC)cc1 1625908142 XSVAUYOZYMEVSP-UHFFFAOYSA-N 446.503 4.939 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(O)ccc1C)c1ccc2c(c1)OCCO2 1627421028 HICFLMXCYFHYIA-UHFFFAOYSA-N 431.488 4.884 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1OC1CCCC1)c1ccc(Br)cc1 1629786963 BEEGUXGPLGRMHU-FQEVSTJZSA-N 427.342 4.944 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCF 1631468585 ZVILBDLADRXXRQ-NRFANRHFSA-N 430.907 4.512 30 10 IJEE C#CCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1632800447 DCYCTGJQVYYGPS-RUZDIDTESA-N 430.548 4.566 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1OC 1634895315 HUZKEAIAUWBVRH-SUOMESGTSA-N 436.335 4.820 30 10 IJEE C#CCC[C@H](O)CNC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1 1635011370 FJKUPXQZFAHBAR-QYJRXKHCSA-N 431.557 4.758 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1635344057 GBANXLAJCIKTPG-YADHBBJMSA-N 436.943 4.678 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1F 1636567493 RZCUCTCQSPETHM-RBUKOAKNSA-N 425.262 4.729 30 10 IJEE C=CCN(C(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 1637063964 DNZOHPQPJQZCEJ-OALUTQOASA-N 448.592 4.555 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 1637085143 GSINLNVWVUCPFP-QFIPXVFZSA-N 426.601 4.997 30 10 IJEE C#CCN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCCc2ccccc21 1639322485 OOHYPWIDVFPZTP-KNQAVFIVSA-N 441.358 4.886 30 10 IJEE C=CCC[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1640813887 CWXAHROJGRDBTM-BHIFYINESA-N 444.497 4.800 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(Cl)c1 1642940554 DOYCNVASHPHOTR-IERDGZPVSA-N 431.367 4.511 30 10 IJEE C#CC1CCN(C(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1643525381 DLZMPXCMKFMJQS-MHZLTWQESA-N 430.548 4.566 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 1653747334 HBKURACRKVBNCO-IYARVYRRSA-N 441.915 4.789 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1Cl 1656052824 KBNSISFBJWFFSB-QGZVFWFLSA-N 438.877 4.814 30 10 IJEE CCOc1ccc([C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C(C)C)cc1OCC 1658008396 FLHMHXKDLIIRGR-QHCPKHFHSA-N 429.948 4.934 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)CCOc2ccc(C(F)(F)F)cc2)cc1 1658244252 FBFINNYFLMTKLV-SFHVURJKSA-N 433.474 4.660 30 10 IJEE C#C[C@H](NC(=O)Nc1cccnc1OCc1ccccc1)c1ccc(Br)cc1 1658429740 ZNBYRPSNXFBZEF-IBGZPJMESA-N 436.309 4.919 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCCc3ccccc3OC(F)(F)F)n2)c(Cl)c1 1660131149 CLFRXIFSYQGZJK-UHFFFAOYSA-N 449.820 4.660 30 10 IJEE C=CCCCN(Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC 1660407348 PURIVEOOBGBRMN-YADHBBJMSA-N 430.589 4.644 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1oc2ccccc2c1Br)c1ccc(Cl)cc1F 1663279586 LABOLPQMPNILIM-CQSZACIVSA-N 442.693 4.641 30 10 IJEE C=CCc1cc(CNC(=O)NCCc2c(OC)ccc3ccccc23)cc(OC)c1OC 1667711111 ICYFZCDMZRSVKW-UHFFFAOYSA-N 434.536 4.636 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccc(Br)cc1 1668403025 WGPAEIKMQWXRLK-NRFANRHFSA-N 436.309 4.919 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(Br)c(F)cc2F)cc(OC)c1OC 1670274891 BLVMQOJIKLDMQL-UHFFFAOYSA-N 441.272 4.795 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1)c1ccccc1 1672547526 CBKCPOWRDVSGGC-LEWJYISDSA-N 440.385 4.708 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 1677639447 QCYMJDSSNLYAOD-GOSISDBHSA-N 426.944 4.525 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1)c1ccc(Cl)cc1F 1679563097 MGWFZJLJVWPUIP-BFUOFWGJSA-N 436.314 4.854 30 10 IJEE C#CC[C@@H](COC)NC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 1684425617 ODWIRIZQBDYZBH-HNNXBMFYSA-N 425.287 4.762 30 10 IJEE C=CCOc1ccc(CNC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)cc1 1685047365 SITZSHJTZVODQZ-UHFFFAOYSA-N 435.568 4.867 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1689879761 GVZKVNLVBPURPP-UHFFFAOYSA-N 437.975 4.626 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690198143 DUBBPJSTZXECEK-NDBKNAECSA-N 442.991 4.803 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cccc(Br)c1 1690250905 MWKGRKQOOLCJRZ-GHTZIAJQSA-N 445.405 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)NC(C)(C)C 1690257860 WSSSRUXHADVGTP-UHFFFAOYSA-N 434.588 4.509 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1690289508 CPUOLVSNEOEBLJ-RTWAWAEBSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1690422500 QLBRAPCKVAQLBV-UHFFFAOYSA-N 429.996 4.505 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1csc(CC)n1 1690457169 SHOKRWCGNFIVCH-UHFFFAOYSA-N 439.585 4.728 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(C)C 1690569726 MBGRKLUIWZQUEM-NZQKXSOJSA-N 435.547 4.733 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCC1 1690579869 VXFPQECAFUOWRO-UHFFFAOYSA-N 438.597 4.643 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)O 1690605616 QWKMJSUQUFESKH-QGZVFWFLSA-N 440.613 4.730 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1OCC[C@H]1C 1690605711 UUJXIQRCCGGCKF-IIBYNOLFSA-N 444.938 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C)C1CCCCC1 1705478240 YIQMEKXFDMDPBJ-OALUTQOASA-N 444.023 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1705502545 XHYIFJSZSNIDBQ-GHTZIAJQSA-N 442.991 4.850 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1705531224 CJTCAFNDSACBLK-LJQANCHMSA-N 446.599 4.522 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC[C@@H](OC)C(CC)CC 1705546152 CEYZEEYSNSICIZ-LJQANCHMSA-N 433.394 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC=CCO1 1705677548 TUJJEGVIPFHCRN-VGOFRKELSA-N 447.366 4.501 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705758763 CROOAKNTWNMQOZ-LJQANCHMSA-N 432.996 4.956 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC(F)(F)CC1 1705827128 VKVNMJUXUZDSGY-UHFFFAOYSA-N 441.320 4.536 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1COCCC 1705836466 UMPQANAPQBDFIK-UHFFFAOYSA-N 444.377 4.633 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(c2ccccn2)CCC1 1705836664 AYQNTBGBQZZGPS-UHFFFAOYSA-N 438.373 4.847 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(CC)(CC)C2)cc1 1705910763 MFRFIXRHQZQWPO-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H](C)Cc1cccs1 1706427238 HLHLNRSEGJXPAX-AUSIDOKSSA-N 449.624 4.866 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1)c1ccsc1 1710019285 BKAWIYUDYSMEOV-NFBKMPQASA-N 437.617 4.548 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1722323381 TVPKFTMSVYLJHE-UXHICEINSA-N 429.609 4.780 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccc(F)c(F)c1 1722344725 BAYWXQXEDUOLEF-OAHLLOKOSA-N 442.535 4.558 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1CC1(C(=O)N(C)C)CCCC1 1722501314 NXTBAAVRCPOUAM-JOCHJYFZSA-N 437.632 4.871 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 1722502417 IPECXPSWAWXWON-SKPFHBQLSA-N 442.579 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1F 1722504916 PQQAUGGKUOZCSQ-URXFXBBRSA-N 426.580 4.810 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCCCC2)C1 1722528697 NIFRETYJXITMQZ-UHFFFAOYSA-N 437.613 4.666 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(C)C)CC1 1722546248 HYAUSOUZOPMISZ-UHFFFAOYSA-N 443.020 4.660 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN(C)CC(F)(F)F)CC1 1722569729 LQPCAIQWPXJWLA-UHFFFAOYSA-N 439.551 4.529 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(c2cccc(OC)c2)CC1 1722579540 HVOOEBDVJHGADO-UHFFFAOYSA-N 444.004 4.779 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@H](C)C1 1722600461 NNZUZZKLJAKCEL-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722605101 VMHJNDMFAVIHSI-HXUWFJFHSA-N 439.007 4.681 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722609678 CYBGOSINLDSIEZ-QFIPXVFZSA-N 439.604 4.701 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722610253 NTHBKTMIMKGFSU-BEFAXECRSA-N 431.378 4.678 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722626420 MJHIYJZIINASNG-XLIONFOSSA-N 439.362 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)SC 1722665791 HUDUWBQOBZYTEH-CYBMUJFWSA-N 425.371 4.777 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@@](C)(CC)O1 1722673068 HREYDCHGJQUHOQ-ATIYNZHBSA-N 433.600 4.866 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC=C(C)C1 1722735183 KMXIAPDOXHHQRI-UHFFFAOYSA-N 428.602 4.817 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1726965441 FSEIUJGFNIUJJX-YCRPNKLZSA-N 435.494 4.997 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCN1CC 1740558622 UIWVRLHBVRIDBM-VXKWHMMOSA-N 437.632 4.621 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCCCC1 1740590301 KWRUVHHEOUVKOG-LJQANCHMSA-N 429.609 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCN(CC)C(C)C 1740727320 HFVQRXDLBBZCOK-AREMUKBSSA-N 430.600 4.524 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1740747356 GJFZGHIOMYJLJF-INIZCTEOSA-N 431.378 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1740764906 LERIJTJSIHSZFQ-PMACEKPBSA-N 439.604 4.753 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1740865653 ZPKXPXZEUKXRDA-UHFFFAOYSA-N 443.567 4.892 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Cn2cccn2)CC1 1740879267 IXAIEHSDDABLGI-UHFFFAOYSA-N 434.588 4.553 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C2CC2)C1 1740884218 TXQOXHNYQPUDFQ-IBGZPJMESA-N 445.405 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(COC(C)(C)C)on1 1740901805 LWPTYRQDZUFQJH-UHFFFAOYSA-N 433.915 4.711 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(N(C)C)CCCCC1 1748654134 GAZBSQCBTLINTM-INIZCTEOSA-N 434.415 4.974 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1749022672 FMTVXKKMLNNJFW-QAPCUYQASA-N 441.601 4.538 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749029273 PXQGJEFTKBUBTE-KRWDZBQOSA-N 445.013 4.604 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749128113 SFIAGIXREXCCJG-GHTZIAJQSA-N 428.602 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)nnc1C(C)(C)C 1749377096 LLTURMRILDWVOU-LJQANCHMSA-N 425.621 4.834 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](COC)C1 1749439495 AMOSQOPELUKSGB-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC 1749586086 LLHCDNSCSYEBPU-OYRHEFFESA-N 439.604 4.694 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCOC1 1749587161 KCCJMKFJDGYEEQ-INIZCTEOSA-N 430.911 4.602 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)c(OC)c1 1749587554 ZNSCZOMVBVZOSK-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCC[C@H]1C 1749591782 YKZWSCYIXPWJMB-RLWLMLJZSA-N 434.584 4.557 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C#N)CC1 1750576241 CUHJJFAOIBBTDG-JOCHJYFZSA-N 444.004 4.960 30 10 IJEE Cc1ccsc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1751348666 AWBNQMKQLRTVPN-DRMXPCRNSA-N 441.645 4.939 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](COCC)C1 1760129968 BTWITLPRSBIOBO-NRFANRHFSA-N 431.584 4.858 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1760134455 NOOQTMZTXBORIF-IBGZPJMESA-N 442.489 4.805 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOCC2(CC2)C1 1760145872 WTLVVIGWIKKIJH-LJQANCHMSA-N 442.991 4.719 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)C[C@H]1CC 1760147429 RAJLXXYYFLDVRZ-HZPDHXFCSA-N 431.378 4.754 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cnc(C(C)C)nc1 1760149658 PJPYIXTVZXGWTD-UHFFFAOYSA-N 426.927 4.701 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCSC(C)C 1760239611 OQVWHRXRUBBQJI-UHFFFAOYSA-N 427.401 4.765 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCCO1 1760297961 PPUAJAWGOMILKT-FGZHOGPDSA-N 449.382 4.725 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCc2cccs2)CC1 1760343680 MGEJPJVQEYZDNO-UHFFFAOYSA-N 428.005 4.601 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCCOC1 1760354262 UNTAQBLKWILQMX-INIZCTEOSA-N 439.387 4.707 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(C)(F)F)c2)CC1 1760383386 ONJWIKLCRIYBSZ-DEOSSOPVSA-N 446.542 4.635 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cccs1)c1ccccc1 1760417100 VMUVVPQUMFUGMT-OAQYLSRUSA-N 449.624 4.962 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cnccn2)CC1 1760422238 CVGGGBMJYYJGQR-UHFFFAOYSA-N 445.615 4.716 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760426881 HGPDUBNQJVGBBH-NRFANRHFSA-N 437.613 4.876 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC1CCN(Cc2cccs2)CC1 1760465910 ZLTAKEAAACEZJZ-UHFFFAOYSA-N 439.604 4.604 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1C[C@@H](C)O[C@H](C)C1 1760477605 FKQBKGJKYJDTJD-RTBURBONSA-N 426.605 4.980 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1CC 1760564807 HUTXEQBEFDODIR-RBUKOAKNSA-N 449.665 4.691 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2Br)C[C@@H]1C 1763089079 FAZILOKLXJXDIU-OKILXGFUSA-N 442.386 4.781 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2OCCC)SC1=Nc1ccc(O)cc1C(=O)O 1772761136 XLYZBKBJFZASAD-JTKXPSIUSA-N 438.505 4.669 30 10 IJEE C=CCNC(=O)Oc1cccc2c(NC(=O)c3cncc(Br)c3)cccc12 1858941381 OWZYNMIKEACIRT-UHFFFAOYSA-N 426.270 4.524 30 10 IJEE N#Cc1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 1860593648 GJMMCUWDKCDWPV-SOFGYWHQSA-N 428.319 4.756 30 10 IJEE Cc1ccc(NC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)cc1Br 1860726365 OQLHYHNXGISDEG-QPJJXVBHSA-N 441.094 4.880 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862411368 FZEPPQNVUUXQKI-XFPJRNFQSA-N 427.447 4.827 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 1862568581 SLVDOCFXRKBEFI-XMMPIXPASA-N 440.499 4.589 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2C)c1 1862625337 DIAKHAJJTZGFAJ-XMMPIXPASA-N 441.483 4.811 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H](C)O)c1 1862669118 OJUMNMGNBKBNSY-SBUREZEXSA-N 437.536 4.558 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2OC)c1 1862674426 WQYCSVJIAPMEOI-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862760711 USRMNTHDQFKODR-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCn2ccnc2)C1=O 1863607253 SHMRAKSOWHLIIQ-UHFFFAOYSA-N 436.600 4.620 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)nc1C 1866108593 FKDISLJIYPRUCC-UHFFFAOYSA-N 440.908 4.931 30 10 IJEE C[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(C#N)cc1)C1CCCC1 1867020758 FYWUTZRNEBWKPK-JPYJTQIMSA-N 435.593 4.741 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@@H](c3ccncc3)C2)nc(Cc2ccccc2)n1 1868216254 XGBKCSPNNPXQMA-XMMPIXPASA-N 448.530 4.656 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCN(c3ccccc3)C(=O)C2)nc(-c2ccccc2)n1 1868373220 QZFYOHXTKGCHAI-UHFFFAOYSA-N 446.514 4.612 30 10 IJEE N#Cc1nnn(-c2cccc(Br)c2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870137736 XSCBRQKHIWMADP-UHFFFAOYSA-N 444.292 4.821 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1Cl 1870140742 HPLQEBFQELITNF-KPKJPENVSA-N 435.915 4.750 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870682666 BBCONFJTROWOHY-FGZHOGPDSA-N 447.664 4.592 30 10 IJEE CCCCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O 1871350401 DQPYBVXTHNSCKN-HMAPJEAMSA-N 438.480 4.570 30 10 IJEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871391083 RACRWDBSLDUYPY-XKZIYDEJSA-N 443.455 4.787 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccs1)C2=O 1871441933 QQILGUPOPFPEIO-MTJSOVHGSA-N 433.485 4.893 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)c(OC)c1 1871460096 VKZUOLJGGPVWSS-FMCGGJTJSA-N 445.471 4.646 30 10 IJEE C=CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871636185 VDSWDQZUEVDWSY-PMACEKPBSA-N 444.583 4.696 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)CCCC 1871833617 BRVFKRAEVZZBJS-OAQYLSRUSA-N 440.675 4.878 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCc1cc(=O)oc2ccc(C)cc12 1872706213 NODIHAJIJKJUKN-UHFFFAOYSA-N 441.528 4.934 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(NC(=O)CC)cc3)c(=O)oc2c1C 1873949781 XCTUTKPUZHAFBY-UHFFFAOYSA-N 448.519 4.894 30 10 IJEE CCCOc1c(/C=N/n2c(CCOc3ccccc3)nnc2SCC)cccc1OC 1874345494 RKIRYHWOMNWONE-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc(F)c2)cc1 1874461082 VJIVCLXWTMLFBN-LSFURLLWSA-N 425.367 4.519 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(F)c1)c1ccccc1 1874485839 OVFORYDEBATLJR-FRQJIFLKSA-N 439.560 4.566 30 10 IJEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874487656 IIFRGTDNGUFFKI-AWQFTUOYSA-N 439.379 4.504 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874506693 PZWFCAXNWRALLS-ZMOGYAJESA-N 444.532 4.570 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(SCC(=O)OCC(C)C)nnc1C(C)C 1874515764 OWMFYQWMDXFBRA-WYMPLXKRSA-N 440.569 4.737 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCCc1ccccc1 1874621375 UNOCDWSUPHEZTA-CSKARUKUSA-N 432.472 4.950 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)OCC(C)C 1874622829 XNQHXKQWFYLVNQ-GQCTYLIASA-N 446.883 4.551 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)cc1C 1874632903 AKUGWKYDZBIEPP-FMIVXFBMSA-N 444.487 4.803 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1OC 1875103924 XJAHIEQWBJLVDM-NYYWCZLTSA-N 436.435 4.967 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875160733 ZXQGPBHRUYPIEH-ZZXKWVIFSA-N 444.821 4.841 30 10 IJEE Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1890419574 VDORNUVGKSXIMY-UHFFFAOYSA-N 449.555 4.513 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1sccc1S(C)(=O)=O 1912432655 VSJSMHPWGOHTPB-CQSZACIVSA-N 426.947 4.811 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C#N)(N(Cc3ccccc3)C(=O)OC(C)(C)C)C[C@H]2C1 1953231511 SAIBQPWKZPEWDO-PMACEKPBSA-N 441.572 4.963 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1959029871 IALKECHLBLKJOD-YKSBVNFPSA-N 439.487 4.918 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 1983328912 DABHBBCUIQJSFR-WFXMLNOXSA-N 428.495 4.522 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H]2CNC(=O)OC(C)(C)C)cc1 2006112969 LLQQJPJIAWHXNM-QMHKHESXSA-N 431.533 4.634 30 10 IJEE O=C(C=CC1=N[C@H]2C=CC=C[C@@H]2N1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 2040466009 ZPUVJZNDCUXXBJ-PMACEKPBSA-N 427.891 4.865 30 10 IJEE N#Cc1cc(Cl)ccc1Nc1ncc(I)cc1Br 2069528323 IMVCOBYPBGVRLZ-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=C(COC)[C@H](NC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071351817 SLHJOHBOZNJUDB-RRPNLBNLSA-N 433.548 4.669 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCCC 2110503542 KQDKLUGALMVTDF-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 2137187778 KORKMOIPITXMII-UHFFFAOYSA-N 442.365 4.827 30 10 IJEE C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)[C@H]1CCNC(=O)OC(C)(C)C 2174766287 VQRBQDMILRKROI-HIFRSBDPSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CCN2c1ccc(C#N)c(Br)c1F 2197339678 KUHZIMYVFMYTFY-JLTOFOAXSA-N 438.341 4.734 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1ncc(Br)c(C)c1[N+](=O)[O-] 2202046660 FFDMNBFRSYVTCI-SFHVURJKSA-N 444.326 4.547 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 2235721108 QINLKAIEQSOHPE-VQTJNVASSA-N 429.358 4.655 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@H](O)C#Cc1ccccc1Br 2235739196 GMVVDKAZUDOZRB-DENIHFKCSA-N 430.342 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](O)C#Cc3ccccc3Br)C[C@@H]21 2235739752 JVLTZFUAJNQIDI-ZULIPRJHSA-N 434.374 4.587 30 10 IJEE CC(C)n1ncc([C@@H](O)C#Cc2ccccc2Br)c1NC(=O)OC(C)(C)C 2235741911 WBRPTULXUPCAKO-KRWDZBQOSA-N 434.334 4.659 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2235747783 SOGYUJNORUEMMY-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267119573 XUXGGPSZUBQKTN-IYBDPMFKSA-N 448.344 4.661 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(C3CC3)n2)CCN(C(=O)OC(C)(C)C)C1 2287850153 QPRIJBPEOTVKRD-FQEVSTJZSA-N 438.366 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296227043 LLCMARINCYXBPI-HKUYNNGSSA-N 448.382 4.758 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC 2305315810 GTFBANLQDATLTD-SQJMNOBHSA-N 430.589 4.945 30 10 IJEE Cc1cccc(N=C2SC(=C3C(=O)N(C)c4ccccc43)C(=O)N2C2CCCCC2)n1 2314540429 PXFFYIBMKPTYDV-UHFFFAOYSA-N 432.549 4.673 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Cl)cc(Br)c1F 2315458874 RMSVVPGXEUMLJX-GDBMZVCRSA-N 433.749 4.809 30 10 IJEE C#CCCCOC(=O)Nc1cc(Br)c(Br)c(Br)c1 2316294446 NDZUJBKJIYVGGQ-UHFFFAOYSA-N 439.929 4.936 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)cc1OC 2322781668 RSBTYCOWIJMUFH-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2323154305 UHSUTUQQCNXPMG-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccco1)O2 2323283025 BBPQJHBKSTUPIL-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE O=C1C(=Cc2ccccc2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2Cl)CC1 2324097926 TXWDZEHMWILEBH-UHFFFAOYSA-N 446.934 4.984 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324451277 UULFBTRHFKOABZ-OAHLLOKOSA-N 433.435 4.857 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)cc2)cc1Cl 2324608464 VGAJWEUKFFWIOG-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(OC)c1 2325513375 XGUZXWXWPUZYLW-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2325544228 RAGAJXCLLOTBHN-UHFFFAOYSA-N 444.532 4.570 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)ccc3C2=O)cc1 2325738376 BVICWELAPPFWKQ-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccc(OC)c1O 2327956833 YPXYNUDZHGRFOZ-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc(OC)c1O 2328559930 ZBYAGYLHWGRGNA-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccccc1[N+](=O)[O-] 2328904649 FBJPNWBRHHJZNQ-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1cccc(Br)c1 2330132540 AXZFPJOUMYRPEW-HNNXBMFYSA-N 445.386 4.549 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C(C)(C)C)cc1 2331399369 CPCANCKVHGOAJW-UHFFFAOYSA-N 427.618 4.561 30 10 IJEE CCCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2)cc1OCC 2331575266 HMFLIZWSPZUURL-UHFFFAOYSA-N 440.569 4.787 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)c(OC)c1OC 2331885489 TYEYYQDLTTXYDD-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(c3ccc(C#N)c(Br)c3F)C[C@@H]21 2361348718 XQAIMZIOHCRYRM-BBRMVZONSA-N 438.341 4.686 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN[C@H](C)C(=O)O 2134611 WSZZGSWXNSKKNT-CLVDERPDSA-N 431.573 4.727 30 10 IJEE biogenic Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3c(F)cccc3F)S2(=O)=O)cc1 20131999 BTAGBIBFHANQFQ-BKUYFWCQSA-N 440.471 4.759 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(CC)s2)c1 35490698 OOUKHIRCBYPYET-HXUWFJFHSA-N 445.500 4.522 30 10 IJEE Cc1c(C(=O)c2oc3ccc(F)cc3c2C)c(O)n([C@@H](C)c2ccccc2)c(=O)c1C#N 38623493 LWZBIDRAFSMXIT-HNNXBMFYSA-N 430.435 4.768 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3)n2)cc1 58996489 LGGOHTFYRNYXLA-LUILSVGHSA-N 438.557 4.504 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 102613986 PBLVRLKVZVTMEX-RKKARLDVSA-N 444.443 4.620 30 10 IJEE CN1/C(=C/C(=O)COC(=O)COc2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21 104676417 XUVSUNNJUKTGEP-UDWIEESQSA-N 433.426 4.508 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(OC)c2)cc1 169934886 SSKPGGYVAULPHS-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccnc2)c1 170000668 YPANGGMDRJFPAV-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OCC(C)C)c1 170040318 WDSPXNDOZNXTKY-NRFANRHFSA-N 443.927 4.600 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 170054115 DXCMWVRDVPYKMY-XMMPIXPASA-N 445.490 4.964 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)cc2)cc1C 170057047 AVJLEUDKMZIMPL-NRFANRHFSA-N 427.928 4.960 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)cc2)c1 170057064 HIAFXCMRYGRHFM-OAQYLSRUSA-N 427.928 4.960 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 170058214 NEOIOMMJMBCPAW-TZIWHRDSSA-N 425.912 4.660 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2ccco2)c1 170097703 BUQZELPLRXJEJT-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCCC2)c1 170119457 YEEYAALEXYVWBE-IBGZPJMESA-N 426.538 4.680 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3cccs3)ccc2O1 170155542 LJZTWFUEJGUJIC-ZSEKCTLFSA-N 435.476 4.994 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3cccs3)ccc2O1 170157479 JKQCLUJPVBVZMU-YEJXKQKISA-N 433.485 4.560 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170212417 GWLSUOFRHZFMPZ-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1O 170271929 QXHXYALDCOSKKV-XMMPIXPASA-N 441.483 4.809 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccco1 170289484 KECZZRHENDXJEA-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C)o2)cc1C 170298785 KBVSVSZIPQDAHD-QFIPXVFZSA-N 441.524 4.689 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(Br)c2)o1 170402171 KXACZRYQDYNHAP-KRWDZBQOSA-N 428.238 4.726 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)S/C(=C\c2ccc(O)c(OCC)c2)C1=O 206881913 RFYRNQPZXGFUMM-UYRXBGFRSA-N 425.506 4.643 30 10 IJEE Cc1cccc2oc(-c3cc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3O)nc12 254305223 AEXAWZITFBCJCE-UHFFFAOYSA-N 434.364 4.781 30 10 IJEE COc1ccc(/C=C2/SC(=Nc3ccccc3)N(NC(=O)c3ccccc3)C2=O)cc1 254501327 QPUDMCWUDKUKGW-CHLWQFSPSA-N 429.501 4.644 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 460560328 UMNWBJWSDSNNRT-QGZVFWFLSA-N 442.560 4.570 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 460567959 QTPCZGGOMYSXER-CVCYQNGTSA-N 447.608 4.948 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1ncnc2cc(F)c(OC)cc12 480411329 CBQWARFRQNVJTD-UHFFFAOYSA-N 437.500 4.594 30 10 IJEE N#Cc1ccccc1OCC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 502076893 KAPLMHXOXNDMSH-UHFFFAOYSA-N 430.851 4.965 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](CC(F)(F)F)C1 508846364 RCLSZOXMGPEBAA-GFCCVEGCSA-N 445.283 4.681 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 508884990 LKUQARKNYQGDRD-XWGVYQGASA-N 448.542 4.735 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526486492 MGPNUFADDMPXIN-DEOSSOPVSA-N 442.471 4.815 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccn2)cc(Cl)c1OC 526609679 RQWSKZLVASFPPY-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE C=C(C)Cn1c(N2CCC(OC3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 549668004 LXNCGVYYOLHDLR-UHFFFAOYSA-N 432.515 4.911 30 10 IJEE COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)NCc1ccc(C#N)cc1F)CC2 609253555 AYPCBDRJXVSVMB-RUZDIDTESA-N 445.494 4.572 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670207814 JLSCUUOYWQEENQ-FQEVSTJZSA-N 440.979 4.741 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2CCc3ccc(C(C)=O)cc3CC2)c1=S 755773481 HBCDVSCDQUDZPZ-UHFFFAOYSA-N 432.593 4.836 30 10 IJEE C=CCn1c(CCN2CCCCC2)nn(CN(CC)Cc2c[nH]c3ccccc23)c1=S 785512349 DVRQYIZCASFUBP-UHFFFAOYSA-N 438.645 4.589 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CCCN1C(=O)OC(C)(C)C 790264119 IFMLVLPXOYLXMN-GKVSMKOHSA-N 441.572 4.558 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N3CCSCC3)cc2C)CCCN1C(=O)OC(C)(C)C 790541011 PHPKRIWRXUHJIU-XMMPIXPASA-N 445.629 4.833 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OCCC)cc2)SC1=Nc1ccsc1 790744203 YXJHVMNHUANIHJ-LJQANCHMSA-N 441.578 4.521 30 10 IJEE C=CC[C@]1(C(=O)OCc2ccc(Oc3ccccc3)nn2)CCCN1C(=O)OC(C)(C)C 791718975 ZHJCEEZICUSRFX-XMMPIXPASA-N 439.512 4.658 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1 1084016195 CKMRWHIKOLEBMW-UHFFFAOYSA-N 430.537 4.752 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)c1nc(-c2ccccc2)cs1 1124352840 OAQUBTAPIDKGOA-LJQANCHMSA-N 447.560 4.699 30 10 IJEE Cc1cc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)nn1-c1cccc(C#N)c1 1127286101 FLACWPPGDYCZLO-HOTGVXAUSA-N 426.442 4.993 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)c1ccc(F)c(F)c1 1128248903 JZSJEKSEKIYOBX-OAQYLSRUSA-N 429.417 4.965 30 10 IJEE C=CCCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1128748065 GECAOINWHOBPBJ-GOSISDBHSA-N 435.406 4.862 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1128864090 VCCJIOOWYIQFSV-WMZHIEFXSA-N 444.934 4.658 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)Cc1cccc(OCCCOc2ccccc2)c1 1129070902 DXWKOUHPLRQPJQ-UHFFFAOYSA-N 428.488 4.790 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1129591121 RCMQKAJDOHXXEJ-UHFFFAOYSA-N 426.192 4.552 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 1129784208 IOJYUCATHDZKTG-WMZOPIPTSA-N 441.622 4.939 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H](NC(C)=O)c1cccc(Br)c1)c1ccccc1 1132949002 PMSVCUMOWBXYRY-NHCUHLMSSA-N 429.358 4.840 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cc1OC 1136228091 BWZWVTRQJFMDTL-ROOORRATSA-N 434.580 4.964 30 10 IJEE C#C[C@H](CCC)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1139967710 WYGMCIYEORIQMM-OAQYLSRUSA-N 426.582 4.670 30 10 IJEE C=CCn1c(SCC(=O)Cc2ccc(OC(C)=O)cc2)nnc1-c1cccc(Cl)c1 1165888630 DULGXVOTCHSVPK-UHFFFAOYSA-N 441.940 4.614 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(Cl)c1 1165889313 MWEKLMFKHWHRBH-FPXQBCRKSA-N 431.005 4.818 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@](O)(c4ccccc4)C3)c2)cc1 1214719089 HCWBGWIZYCPAKR-MHZLTWQESA-N 441.531 4.847 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 1214969878 CYZCADQOBHQETJ-QHCPKHFHSA-N 449.894 4.903 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCc2c(Cl)ccc(Br)c2C1 1221986424 DDCINYIJGYGHDJ-UHFFFAOYSA-N 435.749 4.935 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 1265014880 UHHGLCLACQSGHJ-UHFFFAOYSA-N 437.561 4.706 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286295716 KIJQTZLXWSMPNN-BOSXTWCSSA-N 448.489 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCNc1ccccn1 1286300711 CKRYBVOHEINTQF-HXUWFJFHSA-N 446.599 4.510 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCc2cc(Br)ccc2C1 1286354871 AAEITINPALCZKX-UHFFFAOYSA-N 427.390 4.749 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCC1CCOCC1 1286437967 PSKHPTHSVLIEFV-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1286536853 STRKVBAKZQXFCX-OIPACUDHSA-N 435.341 4.701 30 10 IJEE C=C(Cn1c(N(CC)CCC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286618884 JSOMBVXIINJEQU-OYRHEFFESA-N 439.604 4.999 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286676387 YTFIQUDOFGUHCW-QFIPXVFZSA-N 449.599 4.584 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C1CCCCC1 1286685930 XEKMRWKWUWSXGT-UHFFFAOYSA-N 444.649 4.672 30 10 IJEE C#CCN(C(=O)c1cc(I)ccc1F)[C@@H]1CCCc2ccccc21 1289233522 RUOLSTFWOOUGHM-LJQANCHMSA-N 433.264 4.583 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1-n1nc(C)cc1C 1291531575 FBIWOXSAQZBGGG-CJAUYULYSA-N 431.588 4.773 30 10 IJEE C#C[C@@H](NC(=O)c1cc2cc(Br)sc2[nH]1)c1ccc(Br)cc1 1298537919 FJEDJMFSQZEIQO-GFCCVEGCSA-N 438.144 4.859 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OC2CCCC2)CC1 1300422146 GTDQNEZERAMXLA-UHFFFAOYSA-N 442.991 4.852 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H](C)N1CCCCC1 1300605918 CFWNOROQPLPZQO-PMACEKPBSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1Cc1nc(C(C)(C)C)cs1 1300644510 YORYHASLADZFGL-UHFFFAOYSA-N 437.613 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(C)nc1 1300786143 DJLYDYKAKAEHCK-FQRUVTKNSA-N 445.567 4.561 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1300807649 BWTALLRQUCHXDW-DRMXPCRNSA-N 426.992 4.720 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccoc1C 1300890184 ULBYOTJGVOSMPJ-FDDCHVKYSA-N 442.510 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1300895649 UGCWUZVRCYDLRO-OQEHDIDLSA-N 430.637 4.804 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CCOCC2)C1 1301056387 APGQEVWWILKZKV-UHFFFAOYSA-N 445.007 4.914 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)OCC)CC1 1301072824 SLMMQAMBKZEYJA-UHFFFAOYSA-N 425.396 4.741 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCCC2)CC1 1301105712 MSACSXGONLBGTB-IBGZPJMESA-N 440.588 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(C)(C)C)C1 1301160014 JTFWLQFZHNOFJG-QGZVFWFLSA-N 429.634 4.744 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC2CCCC2)CC1 1301163352 IIKLAOMGJGUZSF-UGKGYDQZSA-N 446.636 4.532 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@@H](C)C[C@H](C)C1 1301270536 IUQXXQWLMSMZMA-PMACEKPBSA-N 432.616 4.792 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCc1nccs1 1301281701 WBVZWJXPIORAEC-UHFFFAOYSA-N 436.354 4.558 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC#N)CC1CC1 1302485517 DXDAUHYINRQURG-OAQYLSRUSA-N 436.387 4.789 30 10 IJEE C[C@@H]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1304964800 GOIGFUBSFIITMB-SIFCLUCFSA-N 432.341 4.586 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1313147620 PUPMPDCMYJFZCG-OAQYLSRUSA-N 440.588 4.682 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H](C)CC#N 1313536292 BBJXRIMZVIWFLA-HBUWYVDXSA-N 432.366 4.816 30 10 IJEE C=CCO[C@H]1CCN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 1320184992 CABYIEKVEBUMRO-BXWQOUMASA-N 449.532 4.939 30 10 IJEE C[C@H](OC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 1320510359 HXOVDZJCMOSMMO-JTQLQIEISA-N 447.438 4.793 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)C1 1323743286 CLZGHZZIIKVTMC-LJQANCHMSA-N 449.020 4.728 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2c(F)cccc2Cl)c(C(=O)OCC)c1C 1349734097 MOHSPHGZKHSTSM-UHFFFAOYSA-N 439.892 4.550 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1358914003 GBTITBAAWXHDPW-UHFFFAOYSA-N 441.579 4.760 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@@H]1C 1358988826 FMIWUIJIKQCFDH-DLBZAZTESA-N 443.364 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(CCC)CC1 1359067501 PZEIDYKLGJBQJI-XMMPIXPASA-N 443.998 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1359074285 XTEFRTXOOJIIHY-HUVFLSCGSA-N 442.991 4.850 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1359127300 NJZANCDLCDDYEI-DLBZAZTESA-N 448.409 4.645 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C)(C#N)CC1 1359136923 ZATPOKAGJLAOLN-UHFFFAOYSA-N 425.602 4.602 30 10 IJEE C=C(Cn1c(N(C)C[C@H]2CC=CCC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1359140642 IEQIQNRGTROGHB-NVQXNPDNSA-N 436.600 4.825 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN(C)C(C)C)CC1 1359176380 WQCRANKSEOVUEE-UHFFFAOYSA-N 432.012 4.740 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1359193039 VGJVRHHMKAMXJH-ROUUACIJSA-N 430.597 4.548 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1359196927 XXZTYCXWKOWDJZ-SFTDATJTSA-N 445.652 4.538 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1359197547 SJNZPLSRPRAKSD-IBGZPJMESA-N 425.577 4.507 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(C(C)(C)C)CC1 1359209383 LPFVCKNAXNHWRC-UHFFFAOYSA-N 433.604 4.612 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1359224464 RZLGPZYAOSHRIK-NQIIRXRSSA-N 437.975 4.969 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c1 1359863843 YLFCVZULOCQIMK-QHCPKHFHSA-N 438.527 4.571 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cc1 1360600265 HVXQQPROXSFNMO-UHFFFAOYSA-N 426.516 4.564 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1Br 1436274472 CKOJSIBGDUIZFK-UHFFFAOYSA-N 427.176 4.674 30 10 IJEE C#C[C@@H](NC(=O)CCc1ccc(C)cc1Br)c1ccc(Br)cc1 1436651785 SEIHYCNTPQXVHK-GOSISDBHSA-N 435.159 4.943 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2F)nnc1-c1ccc(Cl)cc1Cl 1436725453 XNYIUEGOBPYIKE-HZPDHXFCSA-N 443.375 4.927 30 10 IJEE COc1ccc2c(c1)OC[C@@H](NC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)C2 1458540986 HQGXQKUVQMDCBZ-IBGZPJMESA-N 434.879 4.746 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)C(F)(F)F)cc1 1460041783 NYKUMNJRFNFCCC-HXUWFJFHSA-N 448.418 4.695 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)c1ccccc1 1463270905 LIYNVJVRBFMGNV-NLGDKJDOSA-N 448.588 4.763 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Br)c1ccc(Cl)cc1F 1463687580 ZKUDFIMOKSCPMX-CQSZACIVSA-N 437.117 4.548 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)ccc1Br 1463722537 GRQIMHWPMHYZBP-QGZVFWFLSA-N 443.725 4.543 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 1463840193 FYPFZSPWUCJYIK-KRWDZBQOSA-N 435.336 4.657 30 10 IJEE C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 1464992203 AOYZZQFFCAWHOU-LLVKDONJSA-N 434.355 4.781 30 10 IJEE C=CC1(CC(=O)NC(C)(C)c2ccccc2Br)CN(C(=O)OC(C)(C)C)C1 1466127481 WFEMGLKZDKDWRY-UHFFFAOYSA-N 437.378 4.614 30 10 IJEE C#CCC1(NC(=O)Nc2cc(C)nn2-c2cc(C(F)(F)F)ccc2Cl)CCOCC1 1476354588 YVVOJJXMEXYUTJ-UHFFFAOYSA-N 440.853 4.547 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)CCCC1(C)C 1476408609 DOTRBCCYGGPSOZ-OAHLLOKOSA-N 427.314 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCC1(F)F 1507519641 IWQQEMRREUHLAT-GOEBONIOSA-N 437.332 4.991 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CCCO)CC1 1507579213 OTBQXDVIZXHLDC-UHFFFAOYSA-N 445.611 4.755 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCCS2)CC1 1507876639 OZNKQYWCKGCDJN-FQEVSTJZSA-N 425.602 4.589 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCN(CC)C2)CC1 1507882480 UOZZSRUXHSQWOR-OALUTQOASA-N 429.996 4.570 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NCC)CC1 1507892649 WCHWOCOJRKKCBV-UHFFFAOYSA-N 448.036 4.543 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](CC)C1 1507959251 NUYSNESTUJJANN-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cn2ccc(C)cc2n1 1507967284 FBCRZUBMDZVCRX-HXUWFJFHSA-N 430.556 4.662 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1sccc1C 1507998366 PEKKKUYLYZTIEV-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC[C@H](F)C1 1508034088 SZEBTVKIYRKAHE-FPOVZHCZSA-N 426.511 4.974 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nccs1 1508036604 AGYMHSREWOPAAF-UHFFFAOYSA-N 438.384 4.590 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H]1C 1508162691 RQHBYFMRVDHQCZ-QZTJIDSGSA-N 449.665 4.547 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)C1 1514854055 CZRRYVKEOHYGFI-JKSUJKDBSA-N 435.403 4.580 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)CCCN1C(=O)OC(C)(C)C 1517975931 PNNRJHQHHOQRKY-PXDATVDWSA-N 446.588 4.623 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCOCc2ccc(Cl)cc2)s1 1518219305 QTIGFTODXRYEIV-UHFFFAOYSA-N 431.410 4.825 30 10 IJEE C=CCc1cc(CNC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)cc(OC)c1OC 1519363004 WVLVBWZEBJMDOM-SFHVURJKSA-N 446.547 4.907 30 10 IJEE COc1cc2c(cc1CNC(=O)c1ccc(Oc3ccc(C#N)cc3C)cc1)O[C@@H](C)C2 1519852542 BEUFQIXZLWNZCL-KRWDZBQOSA-N 428.488 4.921 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 1527788028 PWOBUEVHZUAOGU-OAQYLSRUSA-N 431.504 4.602 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 1528836482 COTGPSJMCFSIQD-SFHVURJKSA-N 431.879 4.539 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C1CCOCC1 1533500951 MWSIBKOGTJWDBZ-FQEVSTJZSA-N 446.334 4.796 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccccc2CC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1534356529 CAXNIMBBZHUQSA-OAQYLSRUSA-N 426.479 4.753 30 10 IJEE C#CCN(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)[C@H]1CCCc2ccccc21 1538600354 UTDIBRMTRUWFOZ-SANMLTNESA-N 428.532 4.952 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1539071195 PITYQHIMUPEBCE-UHFFFAOYSA-N 447.558 4.563 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1539142223 NTMJGHVBIHWDRB-WOJBJXKFSA-N 441.645 4.759 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1539359770 RLVRAPHTPGSGRK-HZPDHXFCSA-N 436.478 4.715 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1)c1ccccc1 1539765101 GEMWKYRWOWGFRR-QHCPKHFHSA-N 435.616 4.782 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1539874309 LNDLFVGNFLSRSC-UTKZUKDTSA-N 428.552 4.775 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1539953329 HVFLAHHVKCETKD-UHFFFAOYSA-N 436.629 4.955 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539953822 NVDDCCSEVNZPJA-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C#CC[C@@]1(C(=O)OCc2cc(Cl)ccc2OCC2CC2)CCCN1C(=O)OC(C)(C)C 1539979435 KSTRQNJLDXUUQT-DEOSSOPVSA-N 447.959 4.965 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1CCC(OC)CC1 1540053672 HQTPEFPOHQMCSI-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE CC(C)(C#N)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 1542269583 BBMIYFJOXPQAKH-NRFANRHFSA-N 439.515 4.815 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1OC 1543514049 ZVQRMTOFEMKWBU-VURMDHGXSA-N 447.285 4.891 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(OCC3CCCCC3)c2)c1 1544243292 UQMSSIWKJFXFDO-UHFFFAOYSA-N 442.581 4.671 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1(C)C 1544330981 BDZQAFPIEXYVIN-RXVVDRJESA-N 432.572 4.585 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1544453976 BMESCUJTTIPGHK-FXAWDEMLSA-N 431.964 4.910 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1554164914 BSIVQDGGNIELPD-PMACEKPBSA-N 429.515 4.506 30 10 IJEE CN(C)c1ccc(/C=N\N=C2/S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1 1554646322 BJUMHVWILOJOPT-VGCDDXBCSA-N 430.533 4.852 30 10 IJEE COc1ccc(CCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC(F)(F)C2)cc1 1554893310 AXCJOBAYECEZSJ-CVDCTZTESA-N 443.542 4.637 30 10 IJEE C#CCN(C(=O)c1ccc(OCCC(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1558369778 BBXOJFIZURXXMT-UHFFFAOYSA-N 428.573 4.586 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(COC)CCC1 1568862128 YHWIPXOMFCNGES-XMMPIXPASA-N 448.563 4.545 30 10 IJEE C#CC[C@@]1(C(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1569399657 OJVFFTYSLKZNHL-CMJOXMDJSA-N 444.963 4.529 30 10 IJEE CC#CCN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1569822680 IYBISUQQHLLJKG-SANMLTNESA-N 444.575 4.956 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccccc1 1570080602 OQHPYPWXYMYWGK-HSZRJFAPSA-N 445.563 4.812 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1584642045 RZOHUEBOHKMGMI-UHFFFAOYSA-N 430.277 4.806 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)CC#N 1585360879 DWLLWXWHEPMWTL-UUOWRZLLSA-N 433.552 4.700 30 10 IJEE COc1cc(OC)c(C2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)c(OC)c1 1585514336 DZKQJFNVTOVUKF-UHFFFAOYSA-N 449.334 4.911 30 10 IJEE CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1585692505 CQRCPCGNJCMIDQ-DEOSSOPVSA-N 442.519 4.813 30 10 IJEE C=C[C@@H](OC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccccc1 1587279091 LUYSGTWVTBAYBT-OAQYLSRUSA-N 439.558 4.579 30 10 IJEE C=C(C)[C@@H](CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)OCC 1587854973 MRZMZRGFVQBCHE-CEMLEFRQSA-N 448.579 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCc1csc(C(C)(C)C)n1 1588198261 MUVCUDHOOXHYLV-UHFFFAOYSA-N 445.636 4.967 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(CC)CCc1cccs1 1589036417 GVPPWSYOGHPRKT-UHFFFAOYSA-N 447.633 4.990 30 10 IJEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)CCC 1589124825 BTIUKVSLPOVTNL-OALUTQOASA-N 449.665 4.589 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)CCSC 1589442956 GZHSDZBTZIXFOM-MRXNPFEDSA-N 448.434 4.768 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCC(C)(C)C1 1589570111 TVTRPEOPOCEZEU-XMSQKQJNSA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1589722052 ORBXZCAFGBCEFR-GOSISDBHSA-N 441.377 4.693 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1593672018 YCCGNEDUUWFWNT-JOCHJYFZSA-N 447.583 4.783 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)c2ccccc2)CC1 1594497610 KGYIZQYTSQUTHF-NRFANRHFSA-N 437.632 4.880 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(CC)C1)c1ccccc1 1594552019 FAIYZEFTHJGRFZ-ATIYNZHBSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 1594651884 SUPSFYXMJMJQLT-UHFFFAOYSA-N 441.595 4.807 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1594709500 WZQFBJHRKYJDPM-UHFFFAOYSA-N 449.020 4.502 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CC=CCC1 1595658935 NSZYKROFFHWOAS-JOCHJYFZSA-N 429.568 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1595707541 XGTNRYNDGIQNDO-ZHALLVOQSA-N 430.980 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCOC2CCCCCC2)C1 1595738748 UNJVSRMDJZZPGN-JOCHJYFZSA-N 442.579 4.529 30 10 IJEE CC(C)(C)OC(=O)[C@H]1CC(C(=O)Nc2cc3ccccc3cc2C#N)=NN1c1ccccc1 1597220331 FLGCRMLEOTVQSQ-HSZRJFAPSA-N 440.503 4.627 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)n[nH]2)c1C 1598034405 GKTFFLGEWHWCML-UHFFFAOYSA-N 438.491 4.992 30 10 IJEE CC(C)(C)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1cccc(F)c1 1621696745 GIBDGXVPBCMSBZ-QGZVFWFLSA-N 425.323 4.526 30 10 IJEE C=CC1(CC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CN(C(=O)OC(C)(C)C)C1 1625851420 BKLIWBIRGGEYLI-GOSISDBHSA-N 436.499 4.595 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)cc2C1=O 1626109031 NIOHKYQVPWRAIY-IBGZPJMESA-N 429.303 4.753 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nc(CCC)n(-c2ccccc2Cl)n1)c1ccccc1 1627430123 MQNHQYGLSYAXEN-LJAQVGFWSA-N 428.945 4.727 30 10 IJEE Cc1cccc(COc2c(C)cc(CN(C)C(=O)CNc3ccc(C#N)cn3)cc2C)c1 1627909681 CWSLXAVYQXDNPE-UHFFFAOYSA-N 428.536 4.528 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1Cc1ccc(OC)cc1 1632211588 HOEDMTIRYHRKGG-IRLDBZIGSA-N 430.589 4.868 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(C(F)(F)F)cc1 1633470884 IRBFHKKJYBVUQW-BJLQDIEVSA-N 436.478 4.666 30 10 IJEE N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 1641698533 DMVGGDLTQJLQRB-UHFFFAOYSA-N 433.914 4.976 30 10 IJEE CC[C@](CNC(=O)c1ccccc1Sc1ccccc1C#N)(C(=O)OC)c1ccccc1 1642547326 CFDFRQJRGALEBV-AREMUKBSSA-N 444.556 4.960 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(OC)C1CC1 1649540682 YOMJOROCWQHPRA-QYBDOPJKSA-N 431.584 4.626 30 10 IJEE C#C[C@H](NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1652446731 SZSAWTMCAODOJX-IRZJEQJZSA-N 449.353 4.903 30 10 IJEE C=CC[C@@H]1N(CC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)CCCC1(C)C 1654318270 QYLYTYFQTYMEFE-QHCPKHFHSA-N 435.568 4.953 30 10 IJEE COc1ccc2c(c1)N(Cc1ccc(OCc3cccc(C#N)c3)c(OC)c1)C[C@H](C)O2 1657423969 GHEFDYPVLRWTBM-SFHVURJKSA-N 430.504 4.942 30 10 IJEE C#CCN(Cc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CCOc2ccc(Br)cc21 1657513486 JFWXHZRAJHAYQT-UNMCSNQZSA-N 442.353 4.576 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cc1OC 1659971829 CMUAUTZFZZIZEM-GAJHUEQPSA-N 436.980 4.602 30 10 IJEE Cc1c(S(=O)(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)sc2ccc(C#N)cc12 1660268601 FOWJOQGCAOFODD-OAHLLOKOSA-N 443.594 4.768 30 10 IJEE C=CCN(C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1)[C@H](C)COC 1661260910 JUZTXYCCUJJIPP-CQSZACIVSA-N 445.482 4.785 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(F)ccc2OC(F)F)cc1 1666389690 MHTLEDGATYNIAY-UHFFFAOYSA-N 433.430 4.563 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)CCOCC1 1669608046 GYGFMETWQDQYAA-UHFFFAOYSA-N 428.920 4.742 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(Br)cnc1-n1cccn1 1670083650 QIGNTWFXUGAHFE-UHFFFAOYSA-N 426.318 4.640 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C(=O)OC)C1CCCCC1 1672708407 LFXIUBJUKXWZOI-INIZCTEOSA-N 439.350 4.505 30 10 IJEE C#CCN(C(=O)NCCCc1cn(-c2ccccc2)nc1C)[C@@H]1CCCc2ccccc21 1673416260 FEPPDXSRDKWWHK-AREMUKBSSA-N 426.564 4.836 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 1673582015 NWBNASLTEWEOQF-PXDATVDWSA-N 427.589 4.749 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 1678057668 GGQATUKGMPDEQJ-KRWDZBQOSA-N 433.346 4.936 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1 1678246066 KWZREZGWGOSYRI-SANMLTNESA-N 438.506 4.911 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1679885268 YDDHNMGTLSUDLL-LJQANCHMSA-N 443.341 4.578 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 1680461358 JRHCVMFRCMZQGS-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE Cc1ccc(C)c(C2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2)c1 1681580608 HTPAWPMLRZENGX-UHFFFAOYSA-N 432.568 4.849 30 10 IJEE C[C@@H]1Cc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2O1 1685048603 FRUJJNRBUVTFKN-GOSISDBHSA-N 429.495 4.933 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690248526 OJYFFORBBFLAQK-MHXAIHSWSA-N 444.570 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccccc1F 1690250629 JSPBKIASXOPFOC-RDPSFJRHSA-N 442.579 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CSCCS1 1690256220 GTZXXUOBMKTIEH-SJORKVTESA-N 436.622 4.808 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1690361189 KATKKCNKUFQSKM-HXUWFJFHSA-N 445.926 4.745 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCOC(C)(C)C)CC1 1690406311 AXYYMSQDKGFKSU-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCCC2CCOCC2)CC1 1690415717 VUEAWMOMXKSRSY-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC=C(Br)C1 1690683156 CJAUUYYRCIHLDB-UHFFFAOYSA-N 445.405 4.969 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(CC)C(C)C)C1 1690690332 WQFVMFMVCDPPSO-HSZRJFAPSA-N 439.648 4.754 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@H](C)c2nc(C)cs2)n1 1693181582 BQGIVVJUWJYGLF-QGZVFWFLSA-N 437.617 4.983 30 10 IJEE COCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C#N)CC1 1697732217 DRDIWLUURRQPKE-UHFFFAOYSA-N 439.604 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CCC(OC)CC1 1705481392 FZVQGHANYPTZJK-BUJABKPXSA-N 426.630 4.795 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1ccccc1 1705504963 FNGWFDACMLMIOJ-DYXWJJEUSA-N 437.588 4.612 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1705513176 DAUFQBXOMHCNDR-OXJNMPFZSA-N 443.389 4.515 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1nc(C)cs1 1705577413 FPEXSVQXKSEZHK-SFHVURJKSA-N 431.609 4.884 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1cscc1C(F)(F)F 1705617637 BYCZLXBQWNKYOM-UHFFFAOYSA-N 438.450 4.584 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1ccccc1 1705617735 FZGLWHISNRNJCX-CTNGQTDRSA-N 437.588 4.613 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(Cl)nc1 1705625802 XIJICFMLLPYQHM-UHFFFAOYSA-N 446.917 4.524 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1705786645 USHHCHBJIPGDLP-QGZVFWFLSA-N 445.583 4.510 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1705809214 KPZIVWODHWVGMZ-HXUWFJFHSA-N 437.617 4.668 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@](C)(O)[C@H](C)CC 1705837279 WEQPEGIRLCBPGB-BFUOFWGJSA-N 441.801 4.780 30 10 IJEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCCCC1 1707931577 CDPDTXWDRYKULV-UHFFFAOYSA-N 448.571 4.593 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cn(CCCCC)nc1C 1722410305 ZTVKLCXZUZVYPH-UHFFFAOYSA-N 443.599 4.640 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCSC1 1722479686 GPHPQSIZRQTYFM-LBPRGKRZSA-N 431.762 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(OC(F)F)c1 1722501625 IBLMMJBFPKOPIQ-UHFFFAOYSA-N 432.471 4.907 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1722520726 HTRGEAUWVBFFMQ-CYBMUJFWSA-N 439.785 4.941 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1722536488 FCIBDNPAFFISKZ-BBHUYCHWSA-N 446.636 4.677 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H](C)c1nccs1 1722545975 DMVDZLYDBUFENF-CQSZACIVSA-N 439.976 4.784 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1722553519 CGQYNWSPAZUSAH-UHFFFAOYSA-N 444.023 4.681 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCc2cccc(C)n2)CC1 1722580039 NOSGDRQSCZOIDG-UHFFFAOYSA-N 445.611 4.811 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722589109 KYUSEDSBUIBCFP-FQEVSTJZSA-N 443.661 4.521 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[C@H]21 1722606166 GMKYXLZMCCBWKQ-VQIMIIECSA-N 431.378 4.965 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1Cc1ccc(N2CCCC2)nc1 1722652760 LQIMMNLTGPEQHV-UHFFFAOYSA-N 446.599 4.646 30 10 IJEE CCc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CC(C)(C)N2CCCCC2)cc1 1727370104 GOQHCCFORFJVCV-UHFFFAOYSA-N 434.632 4.902 30 10 IJEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)C1 1730551753 HRUQQSXTYYZCKM-QPPBQGQZSA-N 444.583 4.514 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2C)C1 1731087063 IANFGQYETMDMET-KAGYGMCKSA-N 439.629 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C(CC)CC)no1 1740552709 ZKAQGYWTHFTEJM-OAHLLOKOSA-N 427.499 4.545 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCC(F)(F)C1 1740614362 ORDQUWVESPFLCB-GOSISDBHSA-N 432.515 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1Cc1ccc(C(F)(F)F)cc1C 1740732764 PFKRWCLHQCFDMW-HSZRJFAPSA-N 439.485 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1740753478 KONUUHYFDDTXND-QRFRQXIXSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)c1cccs1 1740768222 HJCPIOJWGIRPJT-XMMPIXPASA-N 448.596 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCCC1(C)C 1740776542 TUBFEFWXRZVZNI-VWLOTQADSA-N 426.605 4.818 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCSC2)C1 1740808082 YIBDSTLOZDOSBO-IBGZPJMESA-N 425.385 4.693 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2c(C)noc2C)CC1 1740825881 YPJJFXMBVFRQLP-GOSISDBHSA-N 425.508 4.561 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCOC(C)C)CC1 1740842717 JTBXWNOYBHJNMC-FQEVSTJZSA-N 447.624 4.568 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1Br 1740855939 NIXYALFZGPVKMW-UHFFFAOYSA-N 441.377 4.729 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)c1nc(C)cs1 1740923493 NDJCDGBQQGSYEJ-RDJZCZTQSA-N 429.615 4.605 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCSC2(C)C)C1 1740977317 FYQUMPBFXZSBTO-IAGOWNOFSA-N 433.021 4.912 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](F)C2)cc1 1741527166 DLZRRWIHJRLWMF-WWEVIYMKSA-N 443.542 4.950 30 10 IJEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)CCOCC1 1744292757 FTVMSZMQLOINTK-UHFFFAOYSA-N 435.597 4.764 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)S[C@H](C)C1 1749109162 FHNVBSSMRFSOIQ-IYBDPMFKSA-N 446.418 4.520 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCC([C@@H]3CCCO3)CC2)nnc1C(C)(C)C)C(C)C 1749556743 ADCPFHSOWBIDRS-PKTZIBPZSA-N 443.680 4.670 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCCC1 1749587088 HMWHUTJZZXZLKT-UHFFFAOYSA-N 441.963 4.517 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1749608112 MHUXOSVNZZJTQU-GOSISDBHSA-N 442.361 4.582 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Cc2cccs2)C1 1749700613 LUFVHMOAGYHFDK-AEFFLSMTSA-N 444.004 4.715 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1N(C)CCCC1(C)C 1751090313 ASKZTUIMNONKCW-KXBFYZLASA-N 432.975 4.596 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760130863 NBXKAVHNNCMLPB-DHIUTWEWSA-N 429.568 4.676 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(COC)CCCCC1 1760164646 WWWBBSLFDUBZOV-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1C1CC1 1760237287 DFRJGZHYWSNZOE-QHCPKHFHSA-N 449.643 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCC 1760296181 NRBFPNBPEGBSSP-WIOPSUGQSA-N 440.035 4.779 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccs1)C1CC1 1760354211 RUXQNUQBTKEHDO-UHFFFAOYSA-N 429.977 4.817 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(CCOC)CCC2)CC1 1760381896 CZIIDOBEJAKWTM-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1760390420 FVNQYLSLDPUYAE-JOCHJYFZSA-N 428.989 4.648 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCN(CC)C(C)C)CC1 1760399725 TWCCGHVZDXOUIU-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2c[nH]c3cc(C)ccc23)CC1 1760403782 GSCGRAWYQXXCBR-UHFFFAOYSA-N 448.615 4.631 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1C(C)(C)C)c1ccccc1 1760420468 PKPAWZGXZWKVCW-LEWJYISDSA-N 439.604 4.650 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1760451540 LWGBZDCMMGDEOA-UHFFFAOYSA-N 443.325 4.639 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1760476102 GOQKQOUAXAWHDQ-UHFFFAOYSA-N 443.473 4.782 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCCCC1 1760501341 NJJHQNXGMHLZFX-UHFFFAOYSA-N 427.637 4.959 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)cn1 1762778202 DFBRWYBZHYOWON-OALUTQOASA-N 430.556 4.672 30 10 IJEE C#CCN(C(=O)Nc1ccc(C)c(C(C)=O)c1)[C@H]1CCOc2ccc(Br)cc21 1772515181 HCLQGGXISQRBSW-FQEVSTJZSA-N 441.325 4.951 30 10 IJEE C/C(=N\O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 1860472002 JOXRDNQHOHGBGZ-JZCUADNKSA-N 435.436 4.991 30 10 IJEE CC(C)(C)C1CCC(O[C@@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860622965 OVULCICKUWCYOZ-HQNXYIODSA-N 429.601 4.883 30 10 IJEE N#Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(Cl)c1 1860860357 IFLKZGWRDRNVGL-QHCPKHFHSA-N 442.906 4.673 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2Cl)cc1 1862392239 SHVRGQLEKORKPG-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1862441700 BWVUPOHYEOMXOK-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 1862547340 SEADPNFIQOAFAR-HSZRJFAPSA-N 446.503 4.995 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862555546 FTDZKDXESONUQE-DEOSSOPVSA-N 426.516 4.652 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862566502 XEFNCCFQQONLNA-IBGZPJMESA-N 443.887 4.599 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862599652 JYLBUVADSUIRSW-IBGZPJMESA-N 444.871 4.722 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 1862614658 CHYJQVOWLHCFLI-IRLDBZIGSA-N 437.511 4.881 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC(C)C)cc1 1862643933 YWPRTAJRHCARTP-QFIPXVFZSA-N 441.499 4.857 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)O)cc1 1862654814 SJKOKRDAHFTBPD-IVZQSRNASA-N 429.472 4.915 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1C 1862686658 BDEZIXKIWRZXAV-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccc(F)c2)c1 1862702471 CWXMIBVLSUQUIR-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1862919723 DGNISSQNPSUFMQ-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOCCCC)=C(c2ccccc2OC)C1=O 1863764935 BZWPHGMPDWSEMT-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1cc2c(n1Cc1ccccc1)CCC2 1866251231 GEMAGBOBCCXBCJ-UHFFFAOYSA-N 439.494 4.689 30 10 IJEE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccccc3C#N)nc(C)n1)C2 1868490760 RXBKKFGHNAOAFS-UHFFFAOYSA-N 429.524 4.715 30 10 IJEE CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(C#N)nnn1-c1cccc(C(F)(F)F)c1 1870144417 BVVQGONMSQPQEH-CQSZACIVSA-N 443.429 4.687 30 10 IJEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1870144727 JJXDPKUQAVGCTM-UHFFFAOYSA-N 437.931 4.769 30 10 IJEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CSc1ccccc1 1870255692 RWHRFLIEBGRUFX-IBGZPJMESA-N 434.561 4.583 30 10 IJEE CCCCCCOc1ccc(NS(=O)(=O)c2oc(-c3ccccc3)nc2C#N)cc1 1871282189 ULCQFVMQCCJURU-UHFFFAOYSA-N 425.510 4.973 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)c1 1871446583 FISJUMPDARWCQM-IWIPYMOSSA-N 445.471 4.728 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871873534 GSNKDUSBRYVKQG-OPAMFIHVSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1872007981 KYCNZWGXDFSZTD-LJQANCHMSA-N 428.598 4.887 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1cc(C)c(C)cc1OC 1872149784 GXSHFFGMUHUSSR-HXOBKFHXSA-N 444.597 4.542 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872289117 RGZSLYVFOSRDLS-VWLOTQADSA-N 448.588 4.871 30 10 IJEE COc1cccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)c1 1872762574 QQORVTQSPUSCAN-QRBZPYHOSA-N 448.500 4.642 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N(CC)CCCC)ncnc2n1Cc1ccccc1 1873555047 IKGACBNLINRHIU-UHFFFAOYSA-N 431.584 4.920 30 10 IJEE C=CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2c(N(CC)CC)ncnc21 1873562604 KVZRGEMPQHEWLV-UHFFFAOYSA-N 431.584 4.558 30 10 IJEE CCCc1ccc(OCc2nnc(SCCO)n2/N=C/c2cccc3ccccc23)cc1 1874258830 OTDFRFVPZJJABD-YZSQISJMSA-N 446.576 4.929 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874380984 VQVAEYXPXXWDBT-WSDLNYQXSA-N 431.880 4.730 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874461508 QKRRXLCJOUGCOV-YSURURNPSA-N 434.443 4.786 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1sccc1C 1874479318 VHQBZCGCQCJDJT-WSDLNYQXSA-N 438.582 4.814 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1c[nH]c2ccccc12 1874485364 QPZJUUNLKWVZEF-MFKUBSTISA-N 440.617 4.680 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2Cl)cc1OC 1874502223 WMVNWTKUIHRKRF-FSJBWODESA-N 446.960 4.660 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccccc1F 1874505276 UHHAESULYWFASP-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874509689 PTVNBBAYJZJZEQ-FOKLQQMPSA-N 432.908 4.896 30 10 IJEE CCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccccc2F)cc1OCC 1874561703 DWBSABQOGPIEKW-BUVRLJJBSA-N 428.533 4.757 30 10 IJEE COC(=O)COc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1874628294 WDQJKFSVZQLVKY-NTUHNPAUSA-N 433.416 4.835 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OC)c(OC)c1 1875129235 QRJIJGWEJNVJSH-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 1891529064 PETFPWHDGLTJNW-UHFFFAOYSA-N 425.488 4.508 30 10 IJEE CCc1csc(C#C[C@H](CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)NC)n1 1900918744 LXNZPWMXLNPPNU-NRFANRHFSA-N 427.614 4.863 30 10 IJEE CO[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1904843122 AODGPYVBAKXHAN-IAGOWNOFSA-N 439.940 4.513 30 10 IJEE C=C(COCc1ccccc1)[C@H](CN(CCC(F)(F)F)C(=O)OC(C)(C)C)NCC 1922094789 ODMGXGPMNKNNNM-IBGZPJMESA-N 430.511 4.927 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CCC1 1987026013 VVYSMPJOWAIRCB-YKQNXRHISA-N 444.575 4.858 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCOC2)C1 2038667470 XVOHWEPQDQKVMW-IZZNHLLZSA-N 433.552 4.755 30 10 IJEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(O)c1 2078999971 YQSJXONXBDPUEO-KRWDZBQOSA-N 433.293 4.640 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079092010 ATNMTXRUKUBLID-HNNXBMFYSA-N 427.236 4.913 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CNc1ccc(C#N)c(Br)c1F)C(F)(F)F 2105977556 CBMZPUBGUOUCLI-SNVBAGLBSA-N 440.235 4.575 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2c(F)ccc(F)c2Br)C1 2126684120 GAIMXUGHTCZVNY-INIZCTEOSA-N 431.321 4.849 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3cc(Br)ccc3Cl)C2)OC1(C)C 2132674827 DABXOPIGZNJUBK-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1c1ccc(C#N)cc1Br 2174810841 QUWZWODGKYMYMX-QGZVFWFLSA-N 448.283 4.747 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(Nc2cc(Br)cc(F)c2C#N)C1 2182455392 XNNQLQKUZHWTLF-OALUTQOASA-N 442.304 4.753 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CCNc2ccc(C#N)c(Br)c2F)C1 2205242433 PAHIKLNUARPDMZ-JLTOFOAXSA-N 438.341 4.909 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2235718670 DQKZKVDRROBEGU-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@@H](O)CC#CC2CCCC2)C1 2251518962 HZBLJAZPDSIHGS-OZXSUGGESA-N 427.585 4.775 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)Cc1ccco1 2267235675 NKURGEMHLOOLCF-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)c(O)c2)OC1(C)C 2267726975 GIHJRFNEAPYUBO-UHFFFAOYSA-N 429.325 4.538 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2285619632 KWDHJTILKBAMJF-ZIFCJYIRSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CC[C@@]1(C)NC(=O)OC(C)(C)C 2289878996 COARIMPKTFZCJH-BVYCBKJFSA-N 435.406 4.862 30 10 IJEE CC[C@]1([C@@H](C#Cc2cccc(Br)c2)NC)CCCN(C(=O)OC(C)(C)C)C1 2296217024 PXNYYROOQOVHTQ-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296220161 VMLQHTLOXMURBX-QUCCMNQESA-N 435.406 4.816 30 10 IJEE C=CCC1([C@H](C#Cc2cccc(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 2296220513 YVBJFFNYIBCFPQ-IBGZPJMESA-N 433.390 4.592 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296221566 JUXCUMSXHHEDSW-JKSUJKDBSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@H](O)C#Cc1ccc(Br)cc1 2296280571 AWMRGDXOGQCIAK-HXUWFJFHSA-N 430.342 4.601 30 10 IJEE CCC(=O)Oc1ccc(N=C2NC(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)S2)cc1 2297104438 WBCFRPXGZRVMMB-UHFFFAOYSA-N 446.912 4.564 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2305402212 CXZWUANAPYNZES-RNHFSVANSA-N 428.573 4.554 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(C)ccc1OC 2322638458 BWBMIDCVNIFWSM-UHFFFAOYSA-N 446.341 4.567 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1[N+](=O)[O-] 2322974874 BVZCJGZAVFOBFI-UHFFFAOYSA-N 448.406 4.635 30 10 IJEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2323034915 IIKPPGOZDMHSIG-UHFFFAOYSA-N 441.650 4.616 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323627704 LQUPZZFSTYCSJW-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCC[C@@H](CO)C1 2324208759 JVMVIVDXWIVITC-CYBMUJFWSA-N 434.319 4.520 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cc(OC)ccc1OC 2325610812 KOPOPUXNHNMKFT-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(O)c1 2326002819 KOUYXDVVEMVONC-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2327175070 HVHCVNBFWNXVRY-UHFFFAOYSA-N 425.514 4.501 30 10 IJEE CC(C)c1ccc(C=CC(=O)C2(NC(=O)C34CC5CC(CC(C5)C3)C4)CCNCC2)cc1 2328229792 FFZSFZBOYDPHII-UHFFFAOYSA-N 434.624 4.847 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(C(=O)OC)cc1 2328862977 CPIVITGCLWBFIE-UHFFFAOYSA-N 438.553 4.645 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccc(O)cc2)c1 2330546673 YFJLONHUBDPHOS-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])c1ccccc1 2330651318 ILANQJQFKDSLHT-DEOSSOPVSA-N 437.540 4.942 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 2331017892 PNUFLWCORULGNI-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)CC(C)(C)C 2331019700 NIHFLBJLAWIQFN-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1 2331069228 NJMJABCQVRCOLO-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)c1 2331182670 VGNPDHSFFLIYEF-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(OC)cc2)o1 2331393748 MQLFDTUCXOAFFJ-UHFFFAOYSA-N 442.541 4.528 30 10 IJEE CCCOc1cccc(C=Nn2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)C)c1 2331696158 AOYRVPFDUKZMSB-UHFFFAOYSA-N 442.541 4.744 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1F 2331709450 VSVRQLVAZPBLCD-HNNXBMFYSA-N 443.523 4.531 30 10 IJEE COc1cc(Oc2cc(Br)cc(I)c2)ccc1C#N 2338664416 DORSJQBHWARVDD-UHFFFAOYSA-N 430.039 4.726 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@@H](N)C#Cc3ccccc3Br)C[C@@H]21 2359587627 WGMSOBZYPMJUDM-HNJRGHQBSA-N 433.390 4.554 30 10 IJEE COC1(C#CC(=O)c2ccc(I)c(Br)c2)CCCCC1 2363614073 QHZNNLLHSGNNSF-UHFFFAOYSA-N 447.110 4.589 30 10 IJEE CN[C@@H](C#C[C@H]1CC1(C)C)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2365079283 FNGYAAIMMHBQCP-WDSOQIARSA-N 435.406 4.522 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)/C=C/c1ccccc1 16487144 HHCPWTFUQURIKK-FQFCXHBISA-N 442.584 4.950 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)cc1F 20905356 UKLIWFBTLHXYTJ-WYMPLXKRSA-N 434.500 4.582 30 10 IJEE CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(N(CC)CC)cc3)C(=O)N2C)cc1 27527971 DQFUPQPXXUZOTL-KCBWDOQGSA-N 437.565 4.943 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc([N+](=O)[O-])c2)C4=O)cc1 41655460 VVAYHSGJDTZDGB-FMCGGJTJSA-N 444.443 4.572 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 59016258 SXFCPPPTBHLPOS-NTJMOUOKSA-N 446.458 4.665 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 103112342 AYLIWWLDKCRROO-GOBJLOIFSA-N 447.362 4.757 30 10 IJEE O=C1CCCC2=C1[C@@H](c1ccccc1OCc1ccc(Br)cc1)NC(=S)N2 169939074 PDHJBIBXJAURRS-HXUWFJFHSA-N 443.366 4.554 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccc(O)cc2)cc1 169959147 QUFJHSYWBFWSOH-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(F)cc2)c1 170061437 SRNHHBNMANFLRC-HSZRJFAPSA-N 445.446 4.954 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccn1)c1ccc(Cl)cc1 170169489 UKRVLGAYVJRQPX-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)c(C)c1 170188748 LRAKEBXIMFFKSU-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 170247867 CDMMRSJYDBOFHZ-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)ccc1Cl 170259065 XJEBLHLCRXRBFN-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)c1 170297601 ALBJINNRMZVTQL-QFIPXVFZSA-N 428.444 4.861 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)OCCO2 170326220 GVZWZCHRJOGYMX-QHCPKHFHSA-N 429.472 4.599 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170363495 OALLDLPLRXPDCP-JOCHJYFZSA-N 448.544 4.996 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 170434607 BOUSGONRGNYHIB-OAQYLSRUSA-N 439.508 4.618 30 10 IJEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(C)c3)sc2c1 170461940 MARUMRAGVGAPAT-FQEVSTJZSA-N 446.484 4.989 30 10 IJEE C=CC[C@H]1C=C(C)C[C@@H](CC=C)N1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 209179137 QELPOVOUSULFHC-LEWJYISDSA-N 445.523 4.516 30 10 IJEE COc1cc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)c(Br)cc1O 214909341 SAUQHQMONRIVFX-KTKRTIGZSA-N 427.298 4.862 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2)c(C)sc1=Nc1c(-c2ccccc2)n(C)n(C)c1=O 254791995 AEUCPBZGRZIEQD-UHFFFAOYSA-N 446.576 4.656 30 10 IJEE N#CCOc1ccccc1CNc1cc(I)ccc1Br 312337542 CKNFEMWUMSSYAZ-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE Cn1cc(-c2noc(-c3cccc(COc4ccc(C#N)cc4)c3)n2)c(C(F)(F)F)n1 426259016 XVRXAFYTNNQFIF-UHFFFAOYSA-N 425.370 4.607 30 10 IJEE C=CCN(C(=O)c1ccnc(N2CC[C@H](C)C2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 437300125 ZDPNFJKAXYEUKF-INIZCTEOSA-N 449.536 4.792 30 10 IJEE N#C[C@@H](NC(=O)c1c(Br)cccc1Br)c1ccc(Cl)cc1 462547104 HUJUREIPLLNXLT-CYBMUJFWSA-N 428.511 4.860 30 10 IJEE Cn1cc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(-c2ccc(C#N)cc2)n1 491141073 VPNWEEGBPPWJJT-FQEVSTJZSA-N 442.498 4.527 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(c2nccs2)CC1 508476313 CGMSPPOKZOXZEY-UHFFFAOYSA-N 439.585 4.769 30 10 IJEE O=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 511429733 SAEANCDFORRGAH-OAHLLOKOSA-N 441.372 4.961 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 526489882 UCRKJLJBNXJECE-QHCPKHFHSA-N 441.443 4.922 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc([N+](=O)[O-])cc1 526820929 QEQOSUAQCXYNJA-JAIQZWGSSA-N 446.330 4.686 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cccc(Br)c1 526822051 DWIOUWWQZCWVKE-UUYOSTAYSA-N 426.343 4.649 30 10 IJEE C[C@@H]1CCc2c(sc3nc([C@@H](C)N(C)CCOCc4ccc(C#N)cc4)nc(O)c23)C1 558173003 ODZQZDKTLYOHTM-HZPDHXFCSA-N 436.581 4.603 30 10 IJEE C=C(C)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Br)cc1 586208774 KHSOCTFOMFHYSY-UHFFFAOYSA-N 445.176 4.983 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2Cc2ccccc2)C1 619819216 MGHQZDWCBLSJPG-VWLOTQADSA-N 443.482 4.607 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@H](C)[C@@H](F)C2)nnc1-c1ccc(Cl)cc1Cl 679249294 JXBKUMNPOYIPMB-WBMJQRKESA-N 443.375 4.737 30 10 IJEE Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 744494052 CBRDVCFOEXGCOR-JNJNIUAWSA-N 443.931 4.780 30 10 IJEE CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccsc1 790741123 GJUUEWYVSFELLS-MRXNPFEDSA-N 437.974 4.780 30 10 IJEE N#CC1CCC(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)CC1 799734946 HBLWLPCHSHALKB-UHFFFAOYSA-N 440.341 4.761 30 10 IJEE C=CCOc1ccc(-c2nn(CN3[C@H]4CC[C@H]3CC(c3ccnn3C)C4)c(=S)o2)cc1 802748384 OZPQKSDASRWLLA-OALUTQOASA-N 437.569 4.539 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc(F)cc1 812938237 KKNSWJCZSYGBQO-QFIPXVFZSA-N 428.529 4.569 30 10 IJEE Cc1ccc(N=C2C(=O)N(CN3CCC[C@H](C)C3)c3ccccc32)cc1Br 1081117286 CZUWYHNGYAZSMD-HNNXBMFYSA-N 426.358 4.914 30 10 IJEE CCC(=NNc1nc(SCCC(=O)Nc2cccc(Cl)c2)n[nH]1)c1ccccc1 1084222403 CQNFVEPORULPQI-UHFFFAOYSA-N 428.949 4.805 30 10 IJEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1 1084555337 YVVJEFCWGJPNAU-UHFFFAOYSA-N 444.483 4.802 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3Br)s2)cc1 1125316445 LJQJTBKVCUCBKR-UHFFFAOYSA-N 442.338 4.741 30 10 IJEE C=CCC1(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)CCCC1 1128862382 SXXVPCDCLYYZAM-VWLOTQADSA-N 428.573 4.614 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21 1128908043 UMAUCMSMZXSSKX-PWRODBHTSA-N 428.374 4.717 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N=[S@](C)(=O)c2ccc(OC)cc2)s1 1134005970 ZFYYBLTUCPDHEA-AREMUKBSSA-N 431.004 4.531 30 10 IJEE C#CCN(C(=O)c1ccc(NC)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1136804974 PYHMSUMRHUKMQC-GOSISDBHSA-N 433.733 4.743 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 1139077246 BOKIXTXSKFUCRJ-UHFFFAOYSA-N 449.429 4.776 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1 1158669395 FJDFTEZNKUXBDH-ROTAYESASA-N 440.565 4.588 30 10 IJEE C#CC1(O)CCN(C(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 1167534180 AQIYFDMEHQBOHV-UHFFFAOYSA-N 425.937 4.979 30 10 IJEE C[C@@H]1CN(c2ccccc2F)CCN1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1169927308 DUOAQXBEUKUARR-IAGOWNOFSA-N 440.588 4.565 30 10 IJEE C#CCCCCC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1181918066 DZJOJJPAORTIFW-HXUWFJFHSA-N 426.557 4.590 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](CO)c3cccc(Cl)c3Cl)cn2)c1 1198042410 ANABBRFNCVWVDT-SFHVURJKSA-N 443.290 4.907 30 10 IJEE C=CCc1cc(CNC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc(OC)c1OC 1221552671 YXGMMBJRTILLNQ-OAQYLSRUSA-N 448.922 4.508 30 10 IJEE CC[C@H](C)n1c(SCC(=O)Nc2nc(Cl)c(C#N)s2)nnc1-c1ccccc1 1272289474 GUYSIZIPIYGURA-NSHDSACASA-N 432.962 4.628 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)CCCN1C(=O)OC(C)(C)C 1278295595 GEQAEILIAZAJQH-MHECFPHRSA-N 432.536 4.890 30 10 IJEE COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1cc(OC)c(C#N)cc1F 1280498814 DWIKXRKAXCZPRN-UHFFFAOYSA-N 440.452 4.630 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc([C@H](C)O)cc1 1286279280 LIVHVXCOSZBMNB-ROUUACIJSA-N 434.609 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(CC)s1 1286284175 YWWLOGWQCIYPSX-CYBMUJFWSA-N 447.377 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1286291904 WROSEVDXIVVEPZ-PMACEKPBSA-N 449.599 4.501 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](COC)C1 1286533202 FBBCJPWLFVAABE-LBPRGKRZSA-N 446.176 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(c2ccccc2CO)CC1 1286669327 BKBAXRFCDOMCPT-UHFFFAOYSA-N 433.600 4.762 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286690362 QAQMHGNCAMJTNF-PWRODBHTSA-N 430.637 4.684 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cc(C(CC)CC)no1 1286722522 YXAMPTADLFFJBX-UHFFFAOYSA-N 431.544 4.693 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1nc(C(C)(C)C)cs1 1286728970 KWJQLRZGXOYTBS-VQIMIIECSA-N 431.650 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCN1CCCCC1 1286750066 NYEFYHFCXCKPHC-UHFFFAOYSA-N 439.604 4.748 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286753933 NEMFOQSJESJYME-TZIWHRDSSA-N 437.588 4.769 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)C(C)C)C1 1286811495 CKEMUMKISUBXEO-HXUWFJFHSA-N 432.996 4.974 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1c(C)noc1C 1289154752 CTSHKXFXIDOYNY-AWEZNQCLSA-N 447.568 4.626 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1289415208 WHCNADWXFHLXEB-OAQYLSRUSA-N 431.330 4.869 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC2CCOCC2)cc1 1293664590 XTEXRNFRWHWYAZ-OAQYLSRUSA-N 432.561 4.680 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1300373330 WJYDQHFYTNAIEH-QFIPXVFZSA-N 449.643 4.534 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1300450835 XUGLWZQZKCSSQE-LAUBAEHRSA-N 440.016 4.813 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CC[C@@H](C)N1CCCCC1 1300813320 FURHPTWYNBHVLF-YIXXDRMTSA-N 433.644 4.710 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@H](C)CC 1301060372 FLQDCSBDGGWYGQ-WBVHZDCISA-N 426.005 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1301154500 TZTXWWUIPJTPFH-JOCHJYFZSA-N 433.604 4.521 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCO[C@@H](C)C1 1301176766 KPXURSAMNVWNRD-HNNXBMFYSA-N 437.357 4.818 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1301249364 SDZKRINQDJAMQA-SFHVURJKSA-N 425.602 4.741 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1ncc(C)s1 1301371426 CQBTWKIPJDKFGZ-ZDUSSCGKSA-N 447.406 4.783 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CCCS1 1301413391 UVCKNHAELZXJLH-JOCHJYFZSA-N 443.642 4.748 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H](C)C#N 1301601894 UBVNYLLPKWWWCL-AWEZNQCLSA-N 434.407 4.531 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(N2CCc3ccccc32)CC1 1301611235 JXXPFXFBMKAZHT-UHFFFAOYSA-N 439.673 4.817 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccc1OC(F)F 1302150596 DBYHXRPBNXKREU-HSZRJFAPSA-N 431.531 4.841 30 10 IJEE C=CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nc2sc(C)c(C)c2c1=O 1307258486 BSYHGWUYTIVWAQ-UHFFFAOYSA-N 434.970 4.978 30 10 IJEE C=CCOc1c(Br)cc(CNCc2nc3ccc(C)cc3[nH]2)cc1OCC 1308293079 JCUHYYCDHWUSGO-UHFFFAOYSA-N 430.346 4.887 30 10 IJEE Cc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)C2=O)cc1 1310603775 DAHMJEUCXSQOMC-JOCHJYFZSA-N 426.476 4.586 30 10 IJEE C=CCC1(CNC(=O)NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)CCCC1 1312686008 KTJYAOBODGDYOB-SFHVURJKSA-N 438.412 4.891 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 1312991866 RHNVFEYOMHZQLQ-BHDDXSALSA-N 427.589 4.920 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1349942018 JJMKMXMJMDRZPK-NRFANRHFSA-N 427.372 4.998 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 1352756980 JABSMEIQMBMLFS-HXUWFJFHSA-N 428.960 4.698 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(NC(C)=O)c(F)cc2F)s1 1356304925 MLGRTACGPXDWCO-UHFFFAOYSA-N 431.917 4.714 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](SCC)C1 1358917682 YEJBFICQIMWQEY-LJQANCHMSA-N 430.593 4.912 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(Cl)cccc2C1 1358936597 RMFVAKFVJNZGNX-TZIWHRDSSA-N 426.992 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1(CC)CCOCC1 1359073341 MGOGIPZIHFNBOK-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)s1 1359096754 GLIIWLKGWGUFOE-RHSMWYFYSA-N 437.407 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1359186010 QSXCJDHLGAJARY-DRKIFQHWSA-N 439.629 4.821 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1359202071 IFCRQTHYDKSDHM-JOCHJYFZSA-N 438.572 4.681 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@@H]1OC)C1CC1 1359247743 NLRVUWXFQCSQRL-ZFWWWQNUSA-N 437.407 4.739 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1ccc(N2CCCCC2)nc1 1359275923 LBIRFOMBUNKYMM-UHFFFAOYSA-N 434.588 4.663 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC=C(Br)C1 1359285139 JMWLKWJHUJSZOH-UHFFFAOYSA-N 441.329 4.792 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cscc2C)C1 1359313554 NWSGDHQBMDVJIE-MJGOQNOKSA-N 442.560 4.757 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Br)c1COC 1442891149 XRUISQQIMSJIBD-KRWDZBQOSA-N 441.366 4.784 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NCc2cc(Br)no2)cc1Cl 1449791378 AFSQTTVCIPIPSI-UHFFFAOYSA-N 432.661 4.684 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 1459417082 MDKUUPZVDVATNZ-LJQANCHMSA-N 426.582 4.929 30 10 IJEE C=CCOc1ccc(CC(=O)N(C2CC2)[C@H](C(=O)OCC)c2ccc(Cl)cc2)cc1 1459740238 LGZTZGYOTJPDQA-QHCPKHFHSA-N 427.928 4.743 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 1459980305 MIJOPDMKUSSTGK-HXUWFJFHSA-N 434.625 4.944 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1)C(C)(C)C 1465385986 LENHUPOOZNVEKW-HSZRJFAPSA-N 439.003 4.832 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCCCN1CCC(Cc2ccccc2)CC1 1465779925 ZHDYQCLRIIENIT-UHFFFAOYSA-N 437.559 4.694 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 1467826531 RHUVMZKCWWVURJ-GOSISDBHSA-N 425.356 4.791 30 10 IJEE C=CCC1(C(=O)N2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CCCCC1 1468729460 WXIQMQSDNMGGCU-LEWJYISDSA-N 434.621 4.824 30 10 IJEE C#CC[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccccc1 1469448507 PPOVAZNVXRVTGG-UNMCSNQZSA-N 433.552 4.979 30 10 IJEE C#C[C@@H](NC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1ccc(Br)cc1 1470662587 GNJOCKRCFTYDLK-IFMALSPDSA-N 434.337 4.740 30 10 IJEE C#C[C@@H](NC(=O)N1CCSC[C@H]1c1ccc(C)cc1)c1ccc(Br)cc1 1470663249 LNZSAXKILVVQKC-UXHICEINSA-N 429.383 4.932 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1504375542 CLVCRYVGSQALMM-IRXDYDNUSA-N 433.478 4.987 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OCC 1507522532 HLKRTRCPXOGGGS-QGZVFWFLSA-N 435.597 4.575 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2)CC1 1507567000 JRQCCVPIFBKEAI-UHFFFAOYSA-N 440.035 4.781 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc(C)cs1 1507764610 NUWGKRLCTFOBEX-YADARESESA-N 435.597 4.840 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCC[C@H]1CC 1507770194 QEKADSOTPCVJCY-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2cccc(F)c2)C1 1507794789 ATHLWRSTUZFHHG-JTAQYXEDSA-N 426.580 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)C1 1507797674 SJCRYOZTXCNFGO-QINHECLXSA-N 449.020 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCOCCC(C)C)CC1 1507878814 ZILRIFPAOKTYCU-UHFFFAOYSA-N 434.588 4.944 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](OCC=C)C1 1507939247 JVOKVSDTBWPUHK-INIZCTEOSA-N 435.341 4.594 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(Br)c1 1507950345 CTCKHFGBNZRWAX-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCC[C@@H]2C)C1 1508116181 IFZNVKHMCMZDFM-WSNOQYBDSA-N 438.616 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CC[C@H](F)C2)C1 1508131215 YWZCGKHYWSTFRU-HSALFYBXSA-N 430.593 4.798 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](COCC)C1 1508152168 UGVIPCBSTAEEBC-INIZCTEOSA-N 439.000 4.910 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)n1 1511450252 ADRZDEFUGXKXAJ-GOEBONIOSA-N 444.992 4.818 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1515219176 HUEQORALJNGGCX-UHFFFAOYSA-N 430.361 4.719 30 10 IJEE C=CCOCCCC(=O)OCc1cc(Br)c(Cl)c(Br)c1 1520389930 UQWYHKTVTGPPOD-UHFFFAOYSA-N 426.532 4.891 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)C(F)(F)F)cc1 1521337488 PMDKRZXKLZAEDT-SFTDATJTSA-N 429.438 4.675 30 10 IJEE C=CCN(C(=O)CCc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)C(=O)OCC 1522961239 VNUVKNJIUNCBIV-OAQYLSRUSA-N 433.470 4.827 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(N(C)c2ccccc2)nc1 1523502795 WGFUOUHHAMKTEC-UHFFFAOYSA-N 432.476 4.592 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)cc1 1523871724 WIIJKEBFMFGNEL-NRFANRHFSA-N 434.536 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 1524835232 LBTXCNCKZCJVKQ-TYCQWZJGSA-N 448.332 4.806 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1525054954 VGPNNXAPERPENS-GOSISDBHSA-N 429.314 4.900 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3c(Br)cccc32)CCCN1C(=O)OC(C)(C)C 1526022454 BKGYVOVOQFCOOR-NRFANRHFSA-N 435.362 4.684 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2O[C@@H]2CCOC2)cc1F 1531188759 ARPHKRQJZVOUIF-HXUWFJFHSA-N 432.451 4.839 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(Cn2cc(Br)cn2)cc1 1534739814 LZGDHFMSGXFNBK-UHFFFAOYSA-N 428.305 4.661 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1535519402 FQRWRSFQRZZJPZ-SANMLTNESA-N 447.535 4.670 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3ccccc3n2Cc2ccncc2)cc(OC)c1OC 1535674449 NTAZUGGFNUIKIP-UHFFFAOYSA-N 441.531 4.760 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)cc1 1538169185 DJYKPDVQJOAGMS-UHFFFAOYSA-N 432.259 4.929 30 10 IJEE C/C(=C/C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccccc1C(F)(F)F 1539070230 WPBZMLTUQBFWDJ-SQFISAMPSA-N 429.442 4.882 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539526759 UVQCXNMRLNJUHO-OAQYLSRUSA-N 438.641 4.857 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(Cc1cccc(F)c1)C(C)C 1539627668 KUBGJYYHAJHKRH-FYYLOGMGSA-N 435.547 4.875 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCCC[C@H]2C1 1539909851 QSNTYAIEZBIDRJ-IBGZPJMESA-N 444.023 4.884 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nc(C(C)C)cs1 1540088961 VLODNMPMWNMLSY-KRWDZBQOSA-N 446.621 4.601 30 10 IJEE C=CC1(CC(=O)NCc2ccc(OCCC(C)C)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 1543017946 NFEHFANCTWSWMJ-UHFFFAOYSA-N 446.588 4.550 30 10 IJEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)C1 1547482687 CUSXSJWBDKQPAZ-NRFANRHFSA-N 448.640 4.598 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 1556474093 YOLJLTCKQNWDPC-UHFFFAOYSA-N 426.973 4.926 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 1558054052 NWPJWMIRGPASNG-PKTZIBPZSA-N 443.632 4.749 30 10 IJEE C=CCn1c(SCc2noc(CCCC)n2)nc2sc3c(c2c1=O)CCCCC3 1559310085 PJKQBXNGYNJXIF-UHFFFAOYSA-N 430.599 4.931 30 10 IJEE CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1cccc(OC(F)(F)F)c1 1562533034 ATVSUTGRBFHKOH-UHFFFAOYSA-N 435.793 4.964 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)cc2n1 1563300812 VEOGPVHLVFTTBK-QGZVFWFLSA-N 445.445 4.521 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)c2ccccc2Br)c1 1564073080 FBUAKMYVJKAHBW-KRWDZBQOSA-N 444.373 4.907 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](CC)Oc1ccccc1Cl)c1ccc(Br)cc1 1564247815 DEYSCMZYPZKATK-FUHWJXTLSA-N 435.749 4.934 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2OCC)CC1)c1ccccc1 1565277058 FEPDEJOKPZEZOX-HSZRJFAPSA-N 435.568 4.650 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)c1ccccc1 1565277744 WZUSZOZHZGMPFT-QHCPKHFHSA-N 444.583 4.864 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2c(F)cccc2F)CC1 1570288661 XQQABFMIMYJKAH-NRFANRHFSA-N 436.543 4.996 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H]2CCOc3cccc(C)c32)nnc1-c1ccco1 1583903964 JPJGGUQZHFWDCC-QGZVFWFLSA-N 425.510 4.582 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C[C@H]2C)c1 1584360567 MTJDKKWBHUAMEV-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1OC 1586154990 LEHUYXGXVNWAQL-ACCUITESSA-N 440.503 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC(F)(F)F 1587586269 LSIPHUKUYCWNPM-KBPBESRZSA-N 426.508 4.516 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCN1CC 1588444990 BYJSIYGZCMELLE-JOCHJYFZSA-N 437.632 4.623 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@H]1C(C)C 1588446112 YPDSQGJXZLTSSL-OFVILXPXSA-N 438.616 4.810 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCCN1CCCC[C@H]1C 1588473635 PYIVSMWGZJNEOZ-OAQYLSRUSA-N 425.596 4.835 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1588984655 INYHTUMULSWGCL-BWKNWUBXSA-N 440.657 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC(C)(C)c1ccccn1 1589242679 FUXRMFSNEFPBKM-AREMUKBSSA-N 429.568 4.530 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)F 1589383463 VEMSKZQVDHOMEY-UHFFFAOYSA-N 438.276 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 1589547611 VGRFLUFLAOPLEW-AOMKIAJQSA-N 430.543 4.689 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCCC[C@@H]2CC)CC1 1594128462 QOGAEVXMYSNESS-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1594134018 IQDATQKNFLEOMI-VLCRHTCISA-N 442.579 4.960 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCCCC2)CC1 1594202472 RAEWIIHXFHFLBR-UHFFFAOYSA-N 445.558 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCc2cccs2)CC1 1594473677 WQINXOSFVNOVNQ-UHFFFAOYSA-N 439.629 4.875 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(F)F)C1 1594799078 ZIFUSEADYVOYJK-GOSISDBHSA-N 427.499 4.568 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](SC)C(C)(C)C)C1CC1 1595065028 GWVCPWUDEJHTEX-HXUWFJFHSA-N 425.602 4.661 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1C 1595260281 HTCLZDMRQKYFHS-UHFFFAOYSA-N 427.552 4.757 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1595303382 RRYCWDFTIAPRBX-DLBZAZTESA-N 428.524 4.863 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](CC)Oc2ccccc2F)C1 1595723172 SMEOGMZGCLNZHR-VQTJNVASSA-N 428.552 4.714 30 10 IJEE CN1CCN(Cc2cccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)CC1 1597396587 CFJZSDFOVIVWIS-UHFFFAOYSA-N 442.588 4.709 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(CCc3ccccc3)ccc2O)cc(OC)c1OC 1598112084 XCYBVUQHEVBTNE-UHFFFAOYSA-N 431.532 4.853 30 10 IJEE C=CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2F)nnc1-c1ccc(Cl)cc1 1613210874 RUROGXNOYGEWDM-UHFFFAOYSA-N 432.864 4.807 30 10 IJEE C=CCC1(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)CCOCC1 1616934762 ZONMOPPRUSWUMI-UHFFFAOYSA-N 429.973 4.963 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCOC[C@@H]3CC(C)C)c2C#N)C1 1620446092 HGKXQDJZLQNXOU-ROUUACIJSA-N 431.646 4.846 30 10 IJEE C=CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1622802948 YGLWHMRNJQOFQW-UHFFFAOYSA-N 443.569 4.740 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1623360339 VITSQYFAHYUNFP-JYFHCDHNSA-N 437.543 4.580 30 10 IJEE C=CCC1(CNC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCC1 1623973866 OKLMLVCJZANWPP-UHFFFAOYSA-N 446.544 4.501 30 10 IJEE C=CCN(Cc1cccs1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1624921664 UUOKWQNZVMXXPX-UHFFFAOYSA-N 432.545 4.801 30 10 IJEE C#CCC1(NC(=O)NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)CCCCC1 1630130288 LBMIDSAYELBINM-UHFFFAOYSA-N 447.579 4.580 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 1631052856 YAPBDMOJFGTKDU-AEFFLSMTSA-N 438.952 4.527 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)Cc3c(Cl)cccc3Cl)n[nH]2)c1C 1631940176 DSQPGEIKVWQZAY-GFCCVEGCSA-N 432.355 4.744 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633894623 DLKAXFTZPXIMJW-RXFWQSSRSA-N 442.559 4.732 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)s1 1639518693 BCBNANBWIBCYJI-UHFFFAOYSA-N 447.029 4.919 30 10 IJEE C=CCn1c(S[C@H](CC(C)C)C(=O)OCC)nc2sc3c(c2c1=O)CCCCC3 1640569018 RGJRMWUHMYODBN-QGZVFWFLSA-N 434.627 4.983 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)Cc2ccccc2)c1 1642246656 LKIDSWLVLMFWOD-UHFFFAOYSA-N 434.923 4.984 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1 1652442413 LSKOWIXIVLVIHS-UHFFFAOYSA-N 430.430 4.774 30 10 IJEE C#CCN(Cc1cc(OC)c(C(=O)OC)cc1Br)[C@H]1CCCc2ccccc21 1654895428 PSVITHVPQKCMMJ-NRFANRHFSA-N 442.353 4.757 30 10 IJEE COc1ccc2c(c1)OC[C@@H](NC(=O)Nc1ccc(Sc3ccccc3C#N)cc1)C2 1661859981 CGPXRHDSRROKBD-IBGZPJMESA-N 431.517 4.843 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2cn(C)c3ccccc23)cc1OC 1662891708 AKGDEKLQYJNWFX-UHFFFAOYSA-N 429.358 4.847 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3nc(C4CCC4)no3)CC2)cc1 1667791202 YIGWROZYAYNCDK-UHFFFAOYSA-N 449.555 4.563 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OCC)c(C(C)C)c1)c1ccc(Br)cc1 1669427470 NQPKDNFGRCWBHF-IBGZPJMESA-N 436.371 4.624 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 1670287393 APGMZQJHFXSCFJ-SFHVURJKSA-N 444.377 4.986 30 10 IJEE CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1671271694 AOVJRZVPQNYYRP-IBGZPJMESA-N 444.454 4.518 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2nc3c(s2)CCC3)CC1)c1ccc(Br)cc1 1674031629 YWSFQWSKZLELQW-KRWDZBQOSA-N 444.398 4.658 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCCN(c2ccccc2F)C1 1678356172 NULOQUIAGXFLMT-INIZCTEOSA-N 448.336 4.944 30 10 IJEE CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 1679256927 HKIMLJONPOYOGP-OAQYLSRUSA-N 430.474 4.806 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1)c1ccccc1 1680804260 JIPLXUWXKUGLQU-XXBNENTESA-N 439.987 4.832 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1682683773 NMSMQABXRZHSMC-YOEHRIQHSA-N 430.902 4.720 30 10 IJEE C[C@@H](CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 1685262103 DUYLEGDMRWAWCH-INIZCTEOSA-N 448.464 4.742 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N2CCCCC2=O)CC1 1689877205 SKEDFONARMJNMS-DEOSSOPVSA-N 447.627 4.605 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1689900737 OVLDJBVBTLPDOF-QHCPKHFHSA-N 439.673 4.682 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCC)CC1 1690096429 SMTGVCRBLZPHHM-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1Cc1cccc(COC(C)(C)C)c1 1690209329 SMPMMPZMXTXMJE-HHHXNRCGSA-N 443.595 4.619 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(C)C)C1 1690219439 DWAILYBXEPWDDW-HZPDHXFCSA-N 437.357 4.948 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCO[C@@H](C)c2ccccc2)CC1 1690379253 NFOGMXORCJIOMD-IBGZPJMESA-N 437.613 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 1690426347 LBXSTGYNELDAMJ-UHFFFAOYSA-N 438.526 4.547 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCC1(OC)CCC1 1690558292 KXMHCPRUTMPLMW-UHFFFAOYSA-N 431.540 4.870 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](SC)C(C)(C)C)C1 1690706874 LMTHIRXYSNGIIW-PMACEKPBSA-N 432.609 4.567 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1690736098 STFWGCMIYQQRPC-DHIUTWEWSA-N 439.673 4.804 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705521267 WDZZCIOCZMHWLT-QHCPKHFHSA-N 446.599 4.624 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705527330 UZZVCMUZJQWWIG-RTBURBONSA-N 445.405 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(CCOC)CCC1 1705668997 YSHQUJKXSJCYPF-YADARESESA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@](C)(O)CCC 1705670797 JOKGNAAOJWMGGY-FTJBHMTQSA-N 448.567 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nc(C(C)C)cs1 1705713299 AGGUNYCHODILBE-UHFFFAOYSA-N 441.601 4.993 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1705714611 BCRWKSCQEOHHNQ-FYYLOGMGSA-N 434.588 4.557 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1705777440 AMZIILARFQJMPN-UHFFFAOYSA-N 434.588 4.969 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CC(C)(C)C2)CC1 1705778453 XEJZTYRBJYLEFE-UHFFFAOYSA-N 432.410 4.885 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)c1ccccc1 1705797077 PQGJMVOSRYGERN-BJKOFHAPSA-N 447.631 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705802285 GYFLJGOTOBHNJL-HXUWFJFHSA-N 430.568 4.850 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1705806995 QRIXPRPCJNKDEB-UHFFFAOYSA-N 441.595 4.762 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1705832023 KYBSYBXHLBJOCL-JOCHJYFZSA-N 446.020 4.947 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCc1sccc1C 1705865199 SKKDUAMRFVLNIX-IBGZPJMESA-N 426.561 4.726 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC(C)(COC)CC2)cc1 1705910930 SBFBMVAIKMJPRU-UHFFFAOYSA-N 438.616 4.877 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(C)(F)F)C1 1705920201 SNSCCBBJQAYHIF-GFCCVEGCSA-N 447.349 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCC(C(F)(F)F)CC1 1722296697 UIDSMZVANKEREH-QVUWHDNHSA-N 448.489 4.617 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC(CN2CCCCCC2)CC1 1722334160 BRPZIPOLHYHXLG-UHFFFAOYSA-N 433.644 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1722395110 QNLMJTPZBMTBSU-BJLQDIEVSA-N 437.385 4.607 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(C)(C)C2CC2)CC1 1722432608 YTSGVGUDVBESTM-QFIPXVFZSA-N 449.643 4.616 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1722564745 FPOMFHPTEZIWOX-IBGZPJMESA-N 446.979 4.785 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1722575227 BAWRJIRABVORIL-ROUUACIJSA-N 429.012 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722587034 WZBISFBRYWUYSX-IBGZPJMESA-N 436.535 4.524 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CCCOC2)C1 1722593106 IDCSFJDXLNFIQX-UMEGOILYSA-N 430.637 4.806 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722608001 QDJZTRKPBHSRIZ-HSALFYBXSA-N 447.624 4.616 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1722621715 CZPHTLCTMNDVSS-IBGZPJMESA-N 439.387 4.879 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722626418 MJHIYJZIINASNG-FXAWDEMLSA-N 439.362 4.697 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1722651125 FBUVTSCYGUMQAV-UHFFFAOYSA-N 433.503 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1722668639 VKUYRPRPERIULO-PKOBYXMFSA-N 441.576 4.670 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722670221 CQVHTKHSPQNIEM-KRWDZBQOSA-N 437.588 4.816 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCCC[C@H]2C)C1 1722716162 UAPQESHRPNSLCY-DHIUTWEWSA-N 437.632 4.689 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccsc1)N(C)C 1723772883 BQKKIVBCBLMLJC-KXBFYZLASA-N 428.993 4.701 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)c1nccs1 1740600706 QLHTZZVUIABLNW-OAHLLOKOSA-N 434.594 4.707 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OCC)cc1 1740663851 AKWJWIQQNWCPPD-UHFFFAOYSA-N 445.386 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C)[C@H](C)CC 1740724761 ILFIYOHPBHQIKS-RQNQAMLKSA-N 437.632 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](CC=C)c1ccccc1 1740726397 ZETZXDYCSYEPLC-RNJDCESWSA-N 448.611 4.671 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1740785896 IBGNJNUGHJBHAF-FGZHOGPDSA-N 440.636 4.503 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2oc(CC)nc2C)CC1 1740832376 CXNHVJBJZVRLIY-QGZVFWFLSA-N 439.535 4.867 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](F)COC)CC1 1740842003 ISNCDMZHJRVFCO-INIZCTEOSA-N 443.350 4.551 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1740858065 HPHNXPWFKWIBHR-LJQANCHMSA-N 427.568 4.640 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1740873944 JXLISRHNQZVWIJ-NRFANRHFSA-N 432.515 4.812 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1csc(CC)n1 1740894163 KZSUYVVIGLMJRL-UHFFFAOYSA-N 446.418 4.900 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H]1OC 1740917146 IOSFXZZLGPGHOO-GOTSBHOMSA-N 447.608 4.810 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(F)(F)F)C1 1740975472 VGEQEFUZXPDZMF-HNNXBMFYSA-N 426.508 4.619 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H](C)C#N 1741495921 DLDTVIUTXCRHJU-XFAGBWLFSA-N 443.661 4.914 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCC1(F)F 1747730253 HGTNKISJRAGAAW-OAQYLSRUSA-N 436.510 4.597 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCC[C@H](C)C1 1748945338 QSOLLXVHXBIMCP-LEWJYISDSA-N 439.623 4.766 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1749033055 YICAPCYKLHFQFC-UGKGYDQZSA-N 434.613 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1OCC[C@H]1C 1749146666 KYMHFUHNQBPYAM-VQIMIIECSA-N 433.394 4.843 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1749343449 KGYNZWPCQBWJRL-QFIPXVFZSA-N 439.623 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1749377074 KSBOMENMIZRGPA-HULNYRCFSA-N 430.637 4.936 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC2CC2)CC1 1749411962 HQJCLLCRDLSAOE-SFHVURJKSA-N 429.996 4.570 30 10 IJEE C=CCCCn1c(N2CCC[C@@H](CNC(=O)C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1749439609 DXTLBNWIRAMFPA-QFIPXVFZSA-N 449.643 4.703 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H]1CCCn2ccnc21 1749531441 KSMZKZIQTORHKV-KNQAVFIVSA-N 429.572 4.630 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C 1749536595 QNIHCJGKRDZJTI-LJQANCHMSA-N 427.593 4.851 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCN1CCC 1749554320 RHWPCLKLYKITBA-LEWJYISDSA-N 443.661 4.691 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2CCC[C@H]21 1749746310 WMAVCVRCPXLGHO-SUMWQHHRSA-N 437.382 4.755 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1750305502 BUUQHDHYKBBWDY-JTSKRJEESA-N 445.658 4.592 30 10 IJEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1751033069 COKRULJOAYAKQN-GOSISDBHSA-N 429.515 4.646 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1ccco1 1760129543 QTRNBKBEQKVGLJ-NRFANRHFSA-N 431.540 4.885 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1760207732 UVVPBXQKMADTIZ-MOPGFXCFSA-N 430.474 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(Cn2ccnc2)c1 1760332009 RUXXMBRHEOAFDV-UHFFFAOYSA-N 447.974 4.689 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CC(C)C)C1 1760415032 MKNSECDGCZLXON-GOSISDBHSA-N 429.634 4.744 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760430799 UPSUPCPIOCYQSC-QGZVFWFLSA-N 448.036 4.637 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1760438630 LACJJRVQUGPMEK-GGAORHGYSA-N 429.653 4.967 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[C@@H]1CC 1760462632 FNQXRJGQLSKUOS-AZUAARDMSA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 1760476872 JCBYWLLSPWPKPF-QHCPKHFHSA-N 437.632 4.867 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCCC1(C)C 1760490909 NCMOKRQHVGCPSY-AREMUKBSSA-N 431.584 4.921 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1OC1CCCC1 1760494000 FQQXDNLMIAPTSG-UHFFFAOYSA-N 430.556 4.592 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1760505099 KYOAEEMMJXQOBQ-MXVIHJGJSA-N 437.975 4.675 30 10 IJEE CCOC1(Cn2c([C@H](C)CC)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCCC1 1765935526 DPALCUXNRQGVFL-DENIHFKCSA-N 437.588 4.590 30 10 IJEE CN1C(=O)/C(=C2\SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)c2ccccc21 1772733129 KJZSGGYGAULCME-IUBDMJIPSA-N 446.919 4.890 30 10 IJEE CC(=O)c1c(C)oc(NC(=O)c2c3c(nc4c(Br)cccc24)CCC3)c1C#N 1859655298 RDPMGQLBRMWLJA-UHFFFAOYSA-N 438.281 4.714 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cccc(C#N)c2)sc2c1CCN(Cc1ccccc1)C2 1860391507 KWTRNZNNJIPEAS-UHFFFAOYSA-N 445.544 4.607 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C(=O)O 1862380745 KFDCPFBZLDTBKE-SFHVURJKSA-N 448.302 4.926 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(F)c2)cc1C 1862402219 TYIXUUROMSOKCQ-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 1862476667 MWTGSDZNEYFENJ-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478356 FLJBCFYKKIOULL-HSZRJFAPSA-N 441.483 4.780 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1O 1862505246 MLNWUWIUZUOTKF-QFIPXVFZSA-N 439.483 4.759 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(O)c1 1862548769 ZRXGTPVYRFREHD-QHCPKHFHSA-N 435.520 4.745 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545575 DUIINGMJUXAXQZ-UHFFFAOYSA-N 427.589 4.865 30 10 IJEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCN(CC)CC)C1=O 1863742482 DWFDOLVRKUMFJH-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(C2CCC3(CC2)OCCO3)CO1 1871347949 GNINBHILLHIBQC-REGBWQCZSA-N 445.515 4.697 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2C)C1=O 1871420839 MGIKFPVCPLFGMY-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871431456 ZDUAFEQUQITYOY-STZFKDTASA-N 438.480 4.547 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871442048 XEFCJIZLHNQBHZ-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C)cc(C)c3C2=O)cc1 1871453486 ALKKONJUYDKJON-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872075787 SRIWENJNYURRMQ-CQSZACIVSA-N 441.380 4.760 30 10 IJEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872783339 WZAOCEJVFYIQTI-OAHLLOKOSA-N 428.897 4.979 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 1873450898 TYGPWDOOKKELBB-UHFFFAOYSA-N 435.427 4.806 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1ccc(OCC(C)C)cc1 1873675758 NVMZLGNRBDFVJM-UHFFFAOYSA-N 447.560 4.500 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1O 1874264540 CWXPXUCRXWFCGS-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)cc1C 1874320319 LBNRDTXMDRUKGC-MFKUBSTISA-N 431.565 4.987 30 10 IJEE COc1cc(/C=N/n2c(CC3CCCCC3)nnc2SCCCO)ccc1OC(C)C 1874408863 TWHDAMIQQIZBOI-LFVJCYFKSA-N 446.617 4.553 30 10 IJEE OCCCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874414460 TVRASWZBLQTJPE-RGVLZGJSSA-N 427.382 4.594 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C(F)(F)F)c1 1874460937 NHWVRBLEDPNLJV-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1c(F)cccc1Cl)NC1CCCCC1 1874496029 RQMGZVHQDUHDOR-WYMPLXKRSA-N 449.983 4.761 30 10 IJEE COc1ccccc1OCc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874563666 QNJGXIDDYYIRNX-MFKUBSTISA-N 446.532 4.616 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OCCCO 1874631601 KWZSJHWBSRCVMK-CMDGGOBGSA-N 446.927 4.752 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)c1 1874694803 UVHYLOIOKBWRQZ-ACCUITESSA-N 432.472 4.757 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cccnc1 1875115300 WTQURBVUKVBVIT-MDWZMJQESA-N 429.472 4.943 30 10 IJEE COCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875133607 CQYFAXIECSTUIP-SOFGYWHQSA-N 433.298 4.522 30 10 IJEE CN(C)CC#C[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 1891650628 LONGVTBYUSCLBM-MUUNZHRXSA-N 436.599 4.967 30 10 IJEE C#C[C@@H]1CCCCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1965305169 IZQQZINLDQHERE-IBVKSMDESA-N 444.575 4.812 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](CC#N)C1 1984693645 BOFLJHUQIGOJAF-UQBPGWFLSA-N 445.563 4.702 30 10 IJEE CC#CCCCC[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2019508988 JWXIQWKZSJVWOT-ZEQRLZLVSA-N 429.649 4.964 30 10 IJEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCCB1OC(C)(C)C(C)(C)O1)CC2 2044530154 DRQLUHVDXHHMMC-LJQANCHMSA-N 436.446 4.826 30 10 IJEE C=CCC1(NCc2ccc(NC(=O)OC(C)(C)C)nc2)CCN(C(=O)OC(C)(C)C)CC1 2046973461 WBGNMKZRBZFSCY-UHFFFAOYSA-N 446.592 4.864 30 10 IJEE CN(C)Cc1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079174818 UQODVENZMZEMOP-UHFFFAOYSA-N 448.180 4.932 30 10 IJEE CCOc1ccc(C(F)(F)F)cc1-n1nc(C2CCOCC2)c(C#N)c1Br 2080343618 RPEYVHHKJCZFHC-UHFFFAOYSA-N 444.251 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCC2)c2cc(Br)c(C#N)cc2F)C1 2174769196 XSIOHANGSLPABH-UHFFFAOYSA-N 438.341 4.686 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2235722524 CWDOUGYQZAZDJE-MAUKXSAKSA-N 449.311 4.624 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2261831807 JENZAAHXAARDJG-SQJMNOBHSA-N 447.572 4.655 30 10 IJEE CCCc1ccc(C#C[C@@H](N)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 2268743953 XFDHSDXBDQOEAG-RUZDIDTESA-N 448.607 4.772 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)cc(C#N)c2)[C@H](C(F)(F)F)C1 2281178935 OQFGCFDARILXOX-ZFWWWQNUSA-N 448.283 4.745 30 10 IJEE CC1(C)OB(c2cc(NCCc3cccc(OCc4ccccc4)c3)ccc2N)OC1(C)C 2283019388 KDHHQAIBQUQOEU-UHFFFAOYSA-N 444.384 4.802 30 10 IJEE C#C[C@]12C[C@H](CCN1C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C2 2288913676 IKCOOOFYKQFOGS-QCKZDCLWSA-N 433.346 4.732 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2296219063 KOIRFNLZIPZKJQ-IHPCNDPISA-N 435.406 4.862 30 10 IJEE O=C(C#Cc1cccc(Br)c1)[C@@H](O)c1sc(Cl)cc1Br 2296246552 XGZFHJZYFKRARU-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296268033 ZOHNWFCIUPAOGT-OJAHFUOMSA-N 433.390 4.567 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296289138 OKWKNHBBYHVRBE-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2296310925 PMQWREYVGKQYBW-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)ccc2O1 2297742378 JBVYEZXSXVCQOM-RCDICMHDSA-N 449.890 4.878 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCC2 2305317782 YDZFBSKMIZMBFL-VWLOTQADSA-N 428.573 4.842 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2306366707 PIMGLPGEWPHBLQ-RUZDIDTESA-N 428.573 4.842 30 10 IJEE CC1(C)OB([C@@H]2CCN(Cc3cc(I)ccc3Cl)C2)OC1(C)C 2307280383 VIRRSUJLHKXDFP-CYBMUJFWSA-N 447.553 4.613 30 10 IJEE O=C(O)CCOc1ccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 2314930493 FBNYPNNRSSJGPU-UHFFFAOYSA-N 437.304 4.739 30 10 IJEE CCCC[C@@H](CC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319673393 BFSWSDKYMVXVQI-GAJHUEQPSA-N 438.418 4.545 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1cccc(Cl)c1 2322521750 QLQKAARMHJMPSN-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(N(C)C)c([N+](=O)[O-])c4)c3C)C2=O)o1 2322975208 HEXDPLOGEMSRPY-UHFFFAOYSA-N 448.431 4.706 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OCC(=O)NCc1ccco1 2323053028 CCJQFTBDGYAWGE-UHFFFAOYSA-N 445.515 4.758 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3C)c2)c1 2323068456 ZLNMQKYBWJCEPK-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCC(=O)N(CC)CC 2323718880 MZUJQIPWUPORGG-UHFFFAOYSA-N 437.536 4.576 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2323992196 AZAHVWLPAHYELG-UHFFFAOYSA-N 435.520 4.730 30 10 IJEE Cc1c(OCC(=O)Nc2nc3ccccc3s2)ccc2c1OC(=Cc1ccncc1)C2=O 2325590317 QTDALMZXUDHQPE-UHFFFAOYSA-N 443.484 4.633 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2F)c1 2325702736 HOVLCCSLGOIEGT-UHFFFAOYSA-N 448.288 4.766 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1 2325744269 XOTSJNVUSUOFOR-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OC)c2)cc1F 2325748615 HRXZKTFJZHTMLG-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE Cc1[nH]c2ccccc2c1C=Nn1c(C)nnc1SCc1ccc(C(=O)OC(C)C)o1 2326867516 BDTSBGOPFDMRHM-UHFFFAOYSA-N 437.525 4.709 30 10 IJEE CCCc1ccc(OCc2nnc(SCCO)n2N=Cc2ccc(C(C)C)cc2)cc1 2327408219 BRGJOQFYKMVGTG-UHFFFAOYSA-N 438.597 4.900 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccco1 2328240178 JBKRMPBSOWGSIG-UHFFFAOYSA-N 434.521 4.942 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccccc1OC(C)C 2328291047 FHOBWUYCNKNNDU-UHFFFAOYSA-N 438.553 4.813 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cc(Cl)ccc1O 2328386421 IORJUNMHVYQQQV-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(OC)cc1OC 2328568796 GOCBYOWJMXDGDX-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE Cc1ccccc1C=Nn1c(SCc2ccccc2C)nnc1[C@H]1CC(=O)N(C(C)C)C1 2328992341 RTYPRJBBGXPQTI-QFIPXVFZSA-N 447.608 4.794 30 10 IJEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc2ccccc12 2329588131 JEBZRGXCKMTZQA-UHFFFAOYSA-N 436.924 4.899 30 10 IJEE CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(Br)ccc1O 2330091829 FLQQUDBMNWRWAZ-ZDUSSCGKSA-N 431.359 4.892 30 10 IJEE CCCSc1nnc(C(F)(F)F)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2331146277 PZKBUODYYQISHI-UHFFFAOYSA-N 434.443 4.900 30 10 IJEE COCCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331325247 BNSVIWFWBVTLEO-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2331421516 WBPOIGTUTYUYEI-UHFFFAOYSA-N 429.634 4.617 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2331571299 OUMVNYXRBHOPNF-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)C)c1 2331682843 HOTFJHNXTROAPA-UHFFFAOYSA-N 441.532 4.552 30 10 IJEE CCOc1cccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)C)c1 2331706485 XYWXPHHQHMEKNU-UHFFFAOYSA-N 448.552 4.624 30 10 IJEE CN[C@@H](C#Cc1nc(C)cs1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2338376028 PTXGSACGVWMPNE-INIZCTEOSA-N 436.375 4.873 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@@H](N)C#Cc1cccc(Br)c1 2360194181 JWMICAPUYOOPTD-FRYIKTPZSA-N 433.390 4.696 30 10 IJEE CCCCCC#CC[C@@H](OCCN)c1sc(Cl)cc1I 2366686692 BSISSXPPVVQJIO-CYBMUJFWSA-N 425.763 4.996 30 10 IJEE C[C@@H]1CCC[C@H]1N[C@@H](C#Cc1cccc(Br)c1)CCNC(=O)OC(C)(C)C 2367133745 ZMZXTJZWIWCWFB-LSTHTHJFSA-N 435.406 4.862 30 10 IJEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 3041726 WIDFTRXSHZSSSP-VYIQYICTSA-N 428.561 4.849 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)cc1)N2 13635426 YVVXDWCTFHCCED-FBLLAGFSSA-N 436.577 4.884 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 41285423 BFSZJWSYMOXCPY-UCQKPKSFSA-N 429.472 4.905 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)N1CC[C@]2(C1)Nc1cccnc1N/C2=N\C(C)(C)C 96310093 FKUNGOQWDCLZNM-JOCHJYFZSA-N 426.952 4.754 30 10 IJEE COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(c3ccc(OC)cc3)C4)C2=O)cc1 103021616 LELLCJBEQBXMBZ-FSJBWODESA-N 429.472 4.985 30 10 IJEE N#CCCCOc1cccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 108292190 VCGUSDJAZKIELC-UHFFFAOYSA-N 436.390 4.737 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(OC)cc2)cc1 169926606 REVJJSROFBYFAW-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(OC)c(O)c2Cl)C(C(=O)c2ccccc2)=C1C 169928701 JDKMWYAMMDMHGC-LJQANCHMSA-N 430.957 4.852 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 169957063 FFSVYUGWOSJGTM-QHCPKHFHSA-N 434.536 4.672 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c1 169964453 IUKHXMOSFUQXLE-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170053380 DCPTYMDPNJUBIO-QFIPXVFZSA-N 430.435 4.567 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170143339 YVDYOQPXLLBZMP-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1cccc(C)c1 170145700 UCBGLTQRYYXTKJ-QHCPKHFHSA-N 437.536 4.742 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)cc1C 170170659 CQSPDOHJOPRQAP-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)cc1Cl 170189233 DIIDDGKLWCSYBF-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccnc1 170189596 VJZICZKDPJKJNJ-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170201577 OYNZMQXXYFISBD-IBGZPJMESA-N 441.270 4.877 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC)cc1 170215013 NWSVJQUGPVPJBA-XMMPIXPASA-N 449.547 4.579 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc2ccccc12 170221049 XYMPGEKFFWBSDG-HSZRJFAPSA-N 431.488 4.845 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3cccc(O)c3)oc12 170259340 KCJFVULPNYJPQH-QFIPXVFZSA-N 441.439 4.930 30 10 IJEE COc1ccc2[nH]cc(C3CCN([C@H](C)C(=O)Nc4sc5c(c4C#N)CCC5)CC3)c2c1 195652063 CFZZIJKZTBANBB-OAHLLOKOSA-N 448.592 4.805 30 10 IJEE COc1ccc(/C=N/N=C2/S/C(=C/c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 210531419 WURNRXJBTRCRAY-IBTWPMPSSA-N 435.480 4.934 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(O)/C=C\c2ccccc2)[C@@H]1c1ccccc1Cl 229051438 GORRAJAFVGSUAJ-WSQPUHCQSA-N 438.955 4.660 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1cccc2c1OCCC2 440703916 JYJRZDPLGXMGIV-UHFFFAOYSA-N 427.460 4.561 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2[nH]c3ccccc3c2C1 460961734 WLMKELIOAYMOSX-UHFFFAOYSA-N 429.524 4.582 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCc3ccccc32)n1C[C@H]1CCOC1 461620725 STOHPTQHUNAYFL-HXUWFJFHSA-N 449.624 4.522 30 10 IJEE N#CCCn1cc(C(=O)Nc2ccc(Cl)c3ccncc23)c(-c2ccc([N+](=O)[O-])cc2)n1 490657167 RIBNDIRDLAIMCR-UHFFFAOYSA-N 446.854 4.826 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 508884924 KXKLKFWUKGLYIS-ZCYQVOJMSA-N 443.595 4.653 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)cc1OC 526487907 BDUGTCWTLWUIJJ-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCOc1cc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526517874 XLOFAIGEVMYYRI-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(C)c2)c1OC 526607177 NLIXCUWJSJGKHP-QHCPKHFHSA-N 426.472 4.941 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccc(OC)cc2)CC1 549597327 BEAKBVJYRUWCQE-UHFFFAOYSA-N 436.581 4.614 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2cccs2)C1 555249767 ZYLSFEMQJLQZMS-QFBILLFUSA-N 428.533 4.773 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 732708616 RZILSHYEXFGWLL-FQEVSTJZSA-N 432.499 4.714 30 10 IJEE O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)COC/C1=C\c1cc([N+](=O)[O-])ccc1Cl 741446957 DEGBEBXFWPXPAZ-FUJGBLOQSA-N 435.219 4.876 30 10 IJEE Cc1cc(C(=O)O[C@H](C#N)Cc2ccc(F)cc2F)ccc1NC(=O)c1cccs1 774315569 DASABPJKXJOROI-KRWDZBQOSA-N 426.444 4.879 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(F)cc1F 790283044 RTCBMAXFGLMVLU-IBGZPJMESA-N 445.491 4.597 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)cc1 1084320982 ZGEYEFFFRZEYBY-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)c2ccc(C)cc2)n1 1084556326 ZKMUAGDQRPDHMV-UHFFFAOYSA-N 440.598 4.792 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1 1129610711 PGJMVGKOJCTVBB-MRXNPFEDSA-N 441.550 4.898 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 1129728923 OOCJTYNBKYRBBW-HNNXBMFYSA-N 432.492 4.551 30 10 IJEE C#C[C@H](NC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1)C(C)(C)C 1129739040 PNRHTFQBKOHZMZ-LBPRGKRZSA-N 428.195 4.604 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1132306244 HFZQWACVUFMXTD-QFQXNSOFSA-N 439.559 4.635 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 1134802471 YCJYSNZXCRYNCU-UHFFFAOYSA-N 438.952 4.733 30 10 IJEE C=CC[C@]1(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)CCCN1C(=O)OC(C)(C)C 1136463492 QKDXIWWTJDEBCX-AOJNWGRGSA-N 442.600 4.959 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC 1136574721 ZVRUTOWRPSBIMT-JRMCHAMMSA-N 440.971 4.878 30 10 IJEE CCc1ccccc1-n1cc(O)c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)n1 1141542265 BHBOUCJQWRZQRK-UHFFFAOYSA-N 439.475 4.760 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 1163713263 YBXGTYGTIOAAQF-LEWJYISDSA-N 442.943 4.667 30 10 IJEE C=CCn1c(SCC(=O)C(C)(C)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1164535389 SLXRODSVMCZYTI-UHFFFAOYSA-N 446.569 4.845 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C 1167373384 VLSYWHMHPGPYSV-DHIUTWEWSA-N 443.632 4.605 30 10 IJEE C=CCCCCC[C@H](C)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1181360602 HPSNIYJUPXTYFS-PKOBYXMFSA-N 443.451 4.717 30 10 IJEE COC(=O)c1cnc(C2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)s1 1200275073 BFOHPNJHQSGRCO-CQSZACIVSA-N 444.582 4.593 30 10 IJEE C=CCN(C(=O)CS(=O)(=O)CCCC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1264264018 UBZIHSRAEXMUGC-UHFFFAOYSA-N 447.409 4.851 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](OCC(C)C)C1 1286338774 HMELATLAFJXHLF-AZUAARDMSA-N 426.630 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@@H](C)C1 1286558820 QWLOGNZUIWHHFU-STSQHVNTSA-N 430.543 4.755 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(C)cs1 1286608248 ORTCXCGRIVBSJA-UHFFFAOYSA-N 432.540 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286667727 NCCFNEABXPNEQC-MRXNPFEDSA-N 448.398 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1286670714 LWEKCBSMEPZQHM-UHFFFAOYSA-N 434.487 4.724 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1ccc2c(n1)CCCC2 1286720078 FVTNLQLUAKNKHZ-UHFFFAOYSA-N 438.373 4.652 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1CCCCO1 1288961361 HLDFYBOLQSEWOZ-AXHZCLLHSA-N 441.551 4.646 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCSC 1300282727 PVVLKSJGOQJVHC-ZDUSSCGKSA-N 441.826 4.962 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](c1cccs1)N(C)C 1300557210 QTVVUVSPRYXJIV-GOTSBHOMSA-N 445.636 4.647 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@@H](c1ccsc1)N(CC)CC 1300572463 VQCWAIDNXVXBDU-QHCPKHFHSA-N 431.609 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCSCC(C)C 1300800969 DXTIJHKAQILSBP-XMMPIXPASA-N 435.597 4.981 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)SC 1300816106 IKYSKBNDLQYIEH-VBKZILBWSA-N 439.412 4.908 30 10 IJEE C=C(Br)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1300839679 NKLCRBZLSLTIRA-INIZCTEOSA-N 428.378 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)Oc1ccccc1F 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439.581 4.530 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1OC 1308322612 RBRSYLKPXDUQFM-XLIONFOSSA-N 445.401 4.775 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1OC 1308512836 LWERONFFVIHZDF-XJKSGUPXSA-N 438.284 4.612 30 10 IJEE C=CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@H](Cc1ccccc1)C(=O)OCC 1308687394 AKUDHZQOTXPPDI-YMPZKCBVSA-N 444.616 4.684 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1Cc1cc(Br)cs1 1314740810 BKUUEDVOAAFHFI-UHFFFAOYSA-N 442.386 4.611 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Oc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1351601221 RXOIZSIVAZAOEU-IBGZPJMESA-N 448.441 4.642 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCCN1CC 1358881440 GILRCBGAJWYVDT-GMAHTHKFSA-N 437.632 4.702 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(N(C)C)CCCCC1 1358940166 PQAJWMZZFJPPKR-UHFFFAOYSA-N 448.640 4.711 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CC(C)C)C1 1359078437 CBFZBTBALARCAG-OAHLLOKOSA-N 434.338 4.634 30 10 IJEE 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C=CCCOCCn1c(C2CC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1722626988 IJAHBVWONXTPHC-HNNXBMFYSA-N 441.523 4.608 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCCC1(C)C 1722633255 QYOVFVORMBZHGU-XMMPIXPASA-N 437.613 4.940 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1C 1722657239 VSFXTEAPKCQLPD-RDPSFJRHSA-N 426.568 4.764 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722689440 RAKDNLKCHCBKEC-GOSISDBHSA-N 439.560 4.647 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1722741482 NCAMDHFQJFPCRF-HXUWFJFHSA-N 443.020 4.517 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCCC2(C)C)cc1 1724456816 GABGOEVSEXFUID-XMMPIXPASA-N 439.629 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCN(CCC(C)C)CC1 1740552686 REKYMKGOPWLCLW-HXUWFJFHSA-N 442.051 4.738 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740605205 ROWOUANMQWTKHO-KSFYIVLOSA-N 434.415 4.832 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740757674 QXBUGKKZNHWQDE-BMQTXXJKSA-N 446.542 4.662 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2csc(CC)n2)CC1 1740824508 NEFPWFMUKIRXEX-QGZVFWFLSA-N 441.576 4.975 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740859764 RBTMCVCDMVPQHI-UHFFFAOYSA-N 432.494 4.999 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(=O)NC(C)(C)C 1740869955 FNNQRLLOSAESKB-UHFFFAOYSA-N 429.634 4.593 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1740886868 VNWOVFKLMHUMNY-INIZCTEOSA-N 444.551 4.925 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740888548 OSOKPYFCLUWPAJ-VQTJNVASSA-N 428.552 4.605 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](C)C1 1740914670 WRQCSFRVEOSYTR-WMZHIEFXSA-N 448.615 4.777 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(C)(C)C)C1 1748736270 XIJQLZRQKNSAED-NRFANRHFSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1748764721 UIGBTTMCKJJYHR-DNVJHFABSA-N 436.600 4.960 30 10 IJEE C#CCSCCn1c(CC2CC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1749044162 OVQHFOLRVOAVFR-UHFFFAOYSA-N 438.641 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CC1CCCC1 1749073257 IYTJWVIREQQRIC-JOCHJYFZSA-N 443.389 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCC[C@H]1C 1749146310 CCIIXRXNDXJEOG-KUHUBIRLSA-N 439.423 4.723 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1749236033 ZHJZOSIBDIRSJQ-JOCHJYFZSA-N 445.007 4.835 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 1749268490 BOJSDMRPHZLWSQ-HOTGVXAUSA-N 438.016 4.627 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(OC2CCCC2)CC1 1749280210 FHKKGEPIKWWNFG-UHFFFAOYSA-N 430.980 4.846 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(OC)CCC2)CC1 1749347119 JWXQSNGPGMWWEZ-UHFFFAOYSA-N 430.980 4.872 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)C)CC1 1749354574 UJULRWRXMWBAAP-IBGZPJMESA-N 429.584 4.690 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749396572 ABSRCAIPSWBMDO-UHFFFAOYSA-N 428.540 4.616 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCS1 1749530968 AUZZJFIZPBFDNP-FCHUYYIVSA-N 437.613 4.522 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760139866 RMVVGAPYKOQXDT-AREMUKBSSA-N 433.600 4.795 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC(C)C)CC1 1760234712 RIWFMXTVYJYDBU-FQEVSTJZSA-N 443.636 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@H](F)C1 1760337375 HGCMRTVFPUEICV-ZCNNSNEGSA-N 449.615 4.933 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCC(CN2CCCCCC2)CC1 1760371646 GSUFHNCZZKCXPR-UHFFFAOYSA-N 444.023 4.799 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCCC2(C)C)CC1 1760396701 IEUQVYXRRFWNMG-BVZFJXPGSA-N 442.579 4.901 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1760408669 DWUYSSPTIYRUJZ-OAQYLSRUSA-N 439.560 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCOC2)C1 1760409128 KXXBTWZUAMYKNH-QHCPKHFHSA-N 432.515 4.766 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CSCCS1 1760467204 VSSPVCMCAPAKEY-IBGZPJMESA-N 432.659 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCSC1 1760490804 KAUGUAVSBBJVGF-AWEZNQCLSA-N 437.382 4.778 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1cccnc1OCC(F)(F)F 1760492070 FIOUZIBHSNGLHW-UHFFFAOYSA-N 447.436 4.647 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@H]1CSCCS1 1760501548 UMGZQYBEXZBCLE-IBGZPJMESA-N 446.667 4.607 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760692272 BYOYYHOZAAMIEL-YZZKKUAISA-N 429.012 4.705 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl 1766001046 CFLJOLNUEXAUNB-UHFFFAOYSA-N 436.947 4.571 30 10 IJEE C=C(C)COc1cccnc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1858821231 BBNSAGNJEUHRPI-UHFFFAOYSA-N 442.563 4.976 30 10 IJEE CCSc1ccc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(OC)c3n2)cc1 1859750002 FKHYANPUSAPVOJ-UHFFFAOYSA-N 443.532 4.974 30 10 IJEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)n1 1860552819 WPWGZTZLAGXACM-UHFFFAOYSA-N 432.483 4.976 30 10 IJEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 1860888670 YEFLVISWZSNOQX-UHFFFAOYSA-N 438.531 4.661 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)COc1ccc(C)cc1C(C)(C)C)c1ccccc1 1862173160 ZFOGBZMNRCDEOY-VWLOTQADSA-N 434.580 4.729 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)CCCOc1ccccc1Cl)c1ccccc1 1862228798 YWBITFSBNPKSAA-QHCPKHFHSA-N 426.944 4.557 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862422023 UYEQTOFXFYLRGJ-ZSEKCTLFSA-N 445.462 4.749 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cccc(O)c2)cc1OCCC 1862425998 LMHNWEPUAMLKRA-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCC)c(OC)c1 1862438605 COSSXNHQAWSVSM-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 1862441818 DBNHJUQHORFLEF-NRFANRHFSA-N 443.927 4.831 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1862442985 IVLZFEGZDKTNRK-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc2cc[nH]c2c1 1862491581 WTBAAGBYWPNQSY-QHCPKHFHSA-N 432.520 4.790 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2F)ccc1F 1862501498 DHLGXRVFZBHIHO-HSZRJFAPSA-N 449.453 4.931 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccc(O)cc2)c1 1862555760 HRJQXWOQVNMLSQ-PHDLEGTPSA-N 444.531 4.522 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862561709 XAEZRNLJSVZFAP-OAQYLSRUSA-N 429.501 4.590 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862585801 DWFAHIWWTMDPSS-SFHVURJKSA-N 448.302 4.768 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862590689 NTPGDOPVPMXOII-XMMPIXPASA-N 445.490 4.915 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CC)cc1OC 1862602744 JQHKNMWGHBSUCW-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 1862604865 JQGDMWDAPSFITM-XMMPIXPASA-N 445.515 4.927 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2F)cc1 1862661086 OICIWNLUCDVADV-AVRDEDQJSA-N 441.474 4.846 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862670101 LZDWQBHRPRXHHW-LJQANCHMSA-N 428.872 4.970 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2C)c1 1862698495 IJOXOGWRBXUEJF-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(c3ccc(F)cc3F)C2=O)cc1 1862945861 MKIIGGKHYQSLTH-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccccc2Cl)C1=O 1863082900 FAYBYGJUVZRRBA-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(C)cc2)C1=O 1863621923 YHDAWDMFBLBKCC-UHFFFAOYSA-N 448.563 4.954 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870410789 FVTOISVSOSUKTH-VXKWHMMOSA-N 426.601 4.855 30 10 IJEE CCCCCCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN(CCC)CCC 1870577036 BBCTWPBVGPPPKW-UHFFFAOYSA-N 449.665 4.674 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CNc2cc(C)ccc2C)cc1=O 1870813266 DFHLCUJAYHAOAA-VWLOTQADSA-N 447.579 4.651 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870814161 ZMTBQPPCOMNIQI-UHFFFAOYSA-N 447.579 4.934 30 10 IJEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(C(C)C)cc1 1871117495 LSZSPZNWUQXHIF-UHFFFAOYSA-N 427.589 4.808 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1cc(C)cc(C)c1 1871155707 CESPCIOZAWIZLU-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(F)(F)F)c1 1871252252 QXQUJEGOGZIDGB-UHFFFAOYSA-N 427.426 4.950 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)cc1OC 1871348040 MJBWMESEAPYJSU-MXAYSNPKSA-N 443.499 4.981 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CCC 1872193294 OYKYINYKKLJLRT-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c1 1872774835 CUFDHNLTCAMYMR-BBOMDTFKSA-N 438.480 4.865 30 10 IJEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc(O)c(O)c1 1874195269 GMUGLQHFPQVTRU-BUVRLJJBSA-N 440.569 4.603 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2/N=C/c2ccc(Cl)cc2)cc1OC 1874197716 YHKSUMLDADYMMY-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2/N=C/c2sccc2C)ccc1Cl 1874231667 UYBBMIHZMRYVHK-SRZZPIQSSA-N 436.990 4.546 30 10 IJEE C=CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cn(C)c2ccccc12 1874310645 GSNIGPBBJZJJQA-PCLIKHOPSA-N 431.565 4.724 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1)Nc1ccccc1F 1874416556 WJPWGJLSBILDSR-WGOQTCKBSA-N 445.523 4.621 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3ccc(C(=O)OC)o3)nnc2-c2ccco2)cc1 1874466442 JXTXFVYRCJJHML-YDZHTSKRSA-N 436.493 4.655 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(F)cc1 1874480637 GYIRQYUUUVTNHO-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE COCc1nnc(SCc2ccccc2C)n1/N=C/c1cccc(Br)c1 1874500692 VJBGAWSZZDDDOT-SRZZPIQSSA-N 431.359 4.670 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cn(C)c2ccccc12 1874503571 OKXYAQMHXJCNQR-AFUMVMLFSA-N 446.580 4.644 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc(Br)c1OCCO 1874608460 PGBDOPOPDUKPBG-BQYQJAHWSA-N 425.706 4.768 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCCSC 1875094424 RBYZAVSSLSGXAT-PKNBQFBNSA-N 429.494 4.938 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875120012 XNSFMAIDTYQXGH-NTUHNPAUSA-N 433.416 4.727 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 1875127695 SSJZOWDTCJBROU-FMIVXFBMSA-N 432.388 4.927 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2C1 1912188173 NSUUHYHMDFGEES-HOIFWPIMSA-N 448.568 4.853 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CNCC)c1Cl 1914949695 LOWSJYNNKSINEU-UHFFFAOYSA-N 427.397 4.870 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949309666 VYAUSMIHNZAOPU-PXDATVDWSA-N 427.589 4.597 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)nc1 2050056519 GMFSUORNEVXYJJ-PKTZIBPZSA-N 441.572 4.603 30 10 IJEE CCc1ccc([C@@H](CC)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079127469 OUNLJYIPSIUHSX-CYBMUJFWSA-N 433.215 4.940 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(F)c1 2080079785 LQVBSIUGDCNSMO-CQSZACIVSA-N 449.214 4.690 30 10 IJEE C=CCN(CC[C@H](Cc1c(F)ccc(Br)c1F)NC)C(=O)OC(C)(C)C 2099288682 UYKVRDASYUVYGW-CYBMUJFWSA-N 433.337 4.671 30 10 IJEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)cc(F)c1C#N 2118198494 HLONFKBBKUZISB-STQMWFEESA-N 426.330 4.589 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 2145541885 QTOKAEVKGKHDGP-JKSUJKDBSA-N 445.348 4.555 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 2159121592 WLKUCNPLSNBZBR-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C)C(=O)Nc1cc(Br)ccc1C#N 2181043349 AUNOUSBOTBORJM-JXFKEZNVSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)ccc1Br 2181055100 FEQNNMQVSRUXDW-KRWDZBQOSA-N 436.350 4.998 30 10 IJEE N#Cc1ccc(CNc2ccc(Br)cc2I)c(F)c1 2231675632 IRGQGHGERHOFFB-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](N)C#Cc1ccccc1Br)C1CCCCC1 2235726991 JRDPUHOSPRERRA-AZUAARDMSA-N 435.406 4.992 30 10 IJEE CC(C)C1(C#N)CCN(C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243938252 OXQJDNXYCXFIQI-UHFFFAOYSA-N 445.563 4.704 30 10 IJEE CCC(CC)(CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)N(C)Cc1ccccc1 2255855602 QJZCKFVNWMXHNA-MEMLXQNLSA-N 428.426 4.666 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O)C(C)(C)C 2267684211 BTAPNBZBMUGERL-SFHVURJKSA-N 437.389 4.768 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)C1CCCCC1 2288178769 CIWUMUZHBVFQDZ-SFHVURJKSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2296303469 WOVCIOBEOXTPLZ-SJORKVTESA-N 445.348 4.717 30 10 IJEE COC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)Nc1ccc(C)cc1C 2297651132 ZVBOOUIAYJPGKU-HKUYNNGSSA-N 431.458 4.531 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2320933509 FKIOLDPTPVBMGF-UHFFFAOYSA-N 434.352 4.760 30 10 IJEE C=C(C)CSc1nnc(CC)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2321000307 OPCOAPAHCLZJGV-UHFFFAOYSA-N 436.537 4.619 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c1 2323201826 VRWHCEBSDPWWAW-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCOc1cc(C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)cc(Cl)c1OCC 2323230091 HTOOANBVHLJBIR-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 2323374423 OASVCNHSXZFGDA-UHFFFAOYSA-N 448.269 4.585 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)c1 2323489808 PKZPUFPVSNCUTH-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE COc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1cc(C)ccc1C 2323536076 GCSHSZUKOXCVAX-HXUWFJFHSA-N 438.553 4.505 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Br 2323721036 HLUQNOIHJDFLGC-UHFFFAOYSA-N 438.268 4.528 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)NCCC 2323840489 JPHHIEKEOCHBEU-UHFFFAOYSA-N 437.536 4.624 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC(C)=O)cc1 2326552232 QBLDHPVAQGXACU-UHFFFAOYSA-N 428.945 4.984 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccc(O)c(OCC)c2)CC1 2328209796 YDJPVUJBPZGALO-UHFFFAOYSA-N 446.617 4.813 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1[C@@H]1CCCO1 2330961417 OYQLLGYJXDWPRS-SFHVURJKSA-N 443.916 4.866 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 2331071830 OYKKWUKAWPSLCD-UHFFFAOYSA-N 448.431 4.512 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1 2331305505 LZRVXWYVNRJYAD-UHFFFAOYSA-N 432.432 4.894 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339580892 GXUMTRXLFPVCDR-CEXWTWQISA-N 441.381 4.536 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1OC 2339677158 ZFHHOQWHPFLZJH-SJORKVTESA-N 427.383 4.886 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2363625207 ZGGXKCSTGNEHRW-OALUTQOASA-N 449.414 4.586 30 10 IJEE CC1(C)OB(c2ccc(COc3c(F)cccc3F)cc2Br)OC1(C)C 2377304034 KPPZVTPYOJAKMJ-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(O)C#Cc1cccc(Br)c1 2381071914 HTVOKIXKVOMJSF-LFWOZUSOSA-N 434.374 4.635 30 10 IJEE C=C[C@@]1(C)CCC2=C([C@H]1OC(C)=O)[C@H](OC(C)=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 5037512 PTPSBTFGOXVADZ-CCGKQAKGSA-N 432.557 4.522 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@@H](CC(=O)Nc2c(C)cc(C)cc2C)C(=O)N1C 8816004 LVRISRZUMWJQIC-LWVPEANGSA-N 445.972 4.864 30 10 IJEE Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1cccc(O)c1 11165380 YMONJNKWIBIBFQ-UHFFFAOYSA-O 442.358 4.802 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccoc1C 14063803 ARJDJBIISRQDHF-UHFFFAOYSA-N 437.550 4.887 30 10 IJEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccc(F)cc4)c3O)oc2c1C 38624030 MONCVPNFFYYLKI-UHFFFAOYSA-N 444.462 4.824 30 10 IJEE C=CCc1ccccc1OCCCCn1c([C@@H](C)NC(=O)[C@@H]2CCCO2)nc2ccccc21 40196321 LUAYJFPSGCSJFG-NLFFAJNJSA-N 447.579 4.980 30 10 IJEE COc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)ccc1OCCc1ccccc1 64981486 YXAJJPSMTTYKLL-WGOQTCKBSA-N 438.491 4.582 30 10 IJEE C=CCOc1ccccc1NC(=O)CNc1cccc(NC(=O)CCc2ccccc2)c1 66091184 XHUGVMMFOTWWJC-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE N#CCCN(CCc1ccccc1)C(=S)NC(=O)C(c1ccccc1)c1ccccc1 100438264 URFJFLPALZURHC-UHFFFAOYSA-N 427.573 4.678 30 10 IJEE CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)c(Cl)c1 101391522 OVWBZVLSMCKTFE-SAZKUCFMSA-N 426.300 4.723 30 10 IJEE Cc1cc(OCCCC(=O)/C=C2/NCCc3cc4c(cc32)OCCCO4)ccc1Cl 102620066 DJOZPAPBKOGIOG-HYARGMPZSA-N 427.928 4.725 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccn1 169996855 YHEUCXRQPOQINY-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)[C@@H]3c3ccccc3)nc2c1 170056165 DOYAKMWGTAIQPO-DEOSSOPVSA-N 437.499 4.973 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 170060444 SHOKFDBMOMHGOP-QHCPKHFHSA-N 440.971 4.579 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccco2)c1 170097940 GNMALQSWXNGNOC-DEOSSOPVSA-N 431.488 4.776 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(O)cc1 170131236 ZKDNWNHKKWSPNO-QFIPXVFZSA-N 447.462 4.940 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)c1 170174200 CEMAEFPXFICRKC-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccncc3)oc12 170199432 RJZDYHHYVGBZLS-OAQYLSRUSA-N 444.418 4.758 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccncc2)c1 170201806 VUGBZBJKXRBLIV-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)c(OC)c1 170222706 HMXNRDGDRXAFMH-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1)c1cccc(Cl)c1 170296731 ZBOKBIFCQWRALB-FQEVSTJZSA-N 425.843 4.893 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)cc1OC 170297026 PSBBNDMJRVLNJN-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)o2)cc1 170301526 SWXVFSUWDHTXSD-WNSKOXEYSA-N 445.471 4.703 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1ccccn1 170316702 AXRQPVKIDPOLFN-NRFANRHFSA-N 446.528 4.555 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 170444147 FCRHOPRRZHZVAL-JOCHJYFZSA-N 442.943 4.930 30 10 IJEE C=CCn1c(Sc2ncnc3ccc(Br)cc23)nnc1-c1ccoc1C 261406372 GTYOKTCFEBQTBC-UHFFFAOYSA-N 428.315 4.889 30 10 IJEE N#Cc1ccc(NC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)c(Cl)c1 426155708 ADPQORFQWORYHL-UHFFFAOYSA-N 448.748 4.844 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)[C@H]2C 439223011 HFPOLNZDJXISMO-INIZCTEOSA-N 448.502 4.600 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 441199597 DCVNAELDIMBWFL-OXJNMPFZSA-N 425.529 4.770 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCn2c(nnc2-c2ccccc2)C1 460935040 JUJVPIOTJKJJTF-UHFFFAOYSA-N 431.588 4.646 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCOC[C@H](C)C1 460964573 UVWJSBKLPTZPJS-GOSISDBHSA-N 429.524 4.802 30 10 IJEE C=CCN(C(=O)c1cc(Cl)ccc1Br)c1nc(C(=O)OCC)cs1 501941194 BJRUJDALXVYWHT-UHFFFAOYSA-N 429.723 4.569 30 10 IJEE Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)N3CCC(C)(C#N)CC3)cc2Cl)n1 506915640 JVYGDEPFKSCZAG-INIZCTEOSA-N 442.951 4.511 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](COCc2ccccc2)C1 508489981 PHAHZJXXNKMNEZ-NRFANRHFSA-N 427.552 4.666 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[S@](=O)C(CC)(CC)C1 508956796 UBAKPXYRLVCHCT-NDEPHWFRSA-N 439.050 4.537 30 10 IJEE C[C@@]1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CCCN1C(=O)c1ccccc1 523974928 QBBJFNMPWGEMIC-MHZLTWQESA-N 439.515 4.771 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)c1 586139536 NKWIZJOXBLTHIS-SFHVURJKSA-N 436.533 4.528 30 10 IJEE C=C(C)CN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586233628 VWTCTRGEVLXUEX-UHFFFAOYSA-N 429.542 4.603 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)cn2)cc1 603689778 FGYHXDGVLLZVEU-UHFFFAOYSA-N 433.899 4.753 30 10 IJEE N#Cc1cc(NCc2ncc(Br)cc2Br)ccc1Br 690220437 JHCFWLUPVKRTTF-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1F 698377156 SLNILAYWOYALLF-KRWDZBQOSA-N 428.346 4.732 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccncc1Br)NCCC 702965376 QTWRFZOYJLDLOB-MSOLQXFVSA-N 426.399 4.614 30 10 IJEE C=CCC1([C@H](Cc2cc(Br)cs2)NCC)CN(C(=O)OC(C)(C)C)C1 722942447 TXSKTDGQJDJYQE-INIZCTEOSA-N 429.424 4.844 30 10 IJEE COc1ccc(N=C2S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2C)cc1Cl 725410607 WSBKVZOUDBRIQM-INIZCTEOSA-N 438.336 4.592 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(C)cc1 733202112 NRSJFGYNSUNMEM-QFIPXVFZSA-N 449.576 4.767 30 10 IJEE C#CCN(Cc1cnc(-c2ccncc2)s1)[C@@H]1CCOc2ccc(Br)cc21 769404749 PUAICMFQADSKQQ-LJQANCHMSA-N 440.366 4.927 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OC/C=C/c1ccc(Cl)cc1 787585667 QGBFRXNPVMQHBT-OWOJBTEDSA-N 428.819 4.680 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccsc1 790722373 DEQYSNZMCUAROV-FQEVSTJZSA-N 433.558 4.885 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)cc1OC 808946119 PZCDZYOTCBJTKQ-BENRWUELSA-N 445.544 4.999 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 1083989195 SXFCPPPTBHLPOS-HOQLQHAKSA-N 446.458 4.665 30 10 IJEE C=COCCSc1n[nH]c(NN=Cc2ccccc2OCc2ccc(Cl)cc2)n1 1084559279 FZHBFXAJIOXDFK-UHFFFAOYSA-N 429.933 4.735 30 10 IJEE C#CC[C@]1(C(=O)NCC(C)(C)CCCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1126186755 WBTMQNXYDAKYIJ-AREMUKBSSA-N 426.601 4.945 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 1136321671 JFSUGRHWJGQLOJ-QGZVFWFLSA-N 436.915 4.603 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 1136596833 XQMXIDJPLZZRGW-UHFFFAOYSA-N 440.496 4.834 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cccc(Br)c3O)cc2F)c1 1143482573 FXVVFKXOYHPZQK-UHFFFAOYSA-N 441.256 4.997 30 10 IJEE C=C[C@@H](C)ONC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1144590295 YXNJWKARYNQZSV-MOPGFXCFSA-N 434.536 4.660 30 10 IJEE C=CC[C@@H](Sc1nc2ccc(Br)cc2c(=O)n1CCCCC)C(=O)OC 1164607962 YRTXPMKFCPJLNK-MRXNPFEDSA-N 439.375 4.559 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2cc(Br)c(Cl)cc2C)c(OC)c1 1184544955 HGMJHGXEBCRZTQ-UHFFFAOYSA-N 431.735 4.916 30 10 IJEE COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 1186785975 CARKJCKYKMVZBH-NRFANRHFSA-N 446.450 4.654 30 10 IJEE Cc1cc(C2CCN(CC(=O)Nc3oc(C)c(C)c3C#N)CC2)ccc1Br 1193625790 DBPUDAPBFZSVER-UHFFFAOYSA-N 430.346 4.657 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1OC 1203188777 XIHSQIWPSBHZKB-NHCUHLMSSA-N 428.960 4.744 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1219462675 LAGYSLVCZPXRFM-HSZRJFAPSA-N 449.551 4.662 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 1252970830 LWCVMELZHXZOCX-JXFKEZNVSA-N 448.405 4.944 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(C(F)(F)F)cc1 1266463759 XATHBEWBGHRMDB-FXAWDEMLSA-N 447.413 4.930 30 10 IJEE COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1cccc(COc2ccccc2C#N)c1 1273625426 FSHCHGPMKDALSB-UHFFFAOYSA-N 438.842 4.969 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)CCCN1C(=O)OC(C)(C)C 1278295593 GEQAEILIAZAJQH-HOYKHHGWSA-N 432.536 4.890 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(CC)C(C)C 1286276563 SBNJFMMYZYSJRJ-GOSISDBHSA-N 436.629 4.565 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC(F)(F)F 1286284047 ZVBISHOUWPVVLF-GFCCVEGCSA-N 445.283 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCC1CC(OC(C)(C)C)C1 1286303152 PSBMAFGAHOWPQR-YMISUZCDSA-N 433.600 4.723 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2ccco2)C1 1286317001 IFEBRAHEYSJJJN-OAQYLSRUSA-N 440.931 4.582 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1286350719 KRQHRBBJNSFXQQ-QGZVFWFLSA-N 425.577 4.946 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCNc1ncc(Cl)cc1Cl 1286441433 NYQSVOLWXPPAOI-UHFFFAOYSA-N 449.773 4.872 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCN(C(C)C)C(C)C 1286523939 FUHQGHLNHXTLKP-RUZDIDTESA-N 443.586 4.648 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CC1(CC)CC1 1286527421 KTQWRSBBRMEDNY-OAQYLSRUSA-N 443.389 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C)C1 1286554313 XMVKMMOADDAJDK-POAQFYNOSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1286566754 INPPVIPVCSOEIX-KESTWPANSA-N 434.519 4.586 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cccnc2OC)CC1 1286641269 WDWFGVGQWSDRCS-UHFFFAOYSA-N 430.339 4.860 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cccc(F)c1)C1CC1 1286733686 IBQQKDPRRPCOHA-UHFFFAOYSA-N 444.352 4.962 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@H](C)C1 1286743932 YBXOCTAFCUCZTE-NRFANRHFSA-N 432.616 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(F)(F)F 1286747901 PBEXLDURJWIMEI-UHFFFAOYSA-N 438.475 4.779 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCc2sccc2C)C1 1286811956 HLELXRMVOSOXHB-NRFANRHFSA-N 438.597 4.559 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1cccs1 1286832289 RKRJMBYBSZKODR-LPHOPBHVSA-N 442.610 4.969 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)C(=O)OCC 1288354076 CYZMIIGBHISGPL-KRWDZBQOSA-N 431.945 4.677 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCOC2)c1C 1289103618 GYSHMXMHIQZZIK-UNMCSNQZSA-N 437.588 4.592 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1300372142 NZDXIABSQYRLIK-MSOLQXFVSA-N 445.405 4.905 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCSC1(C)C 1300510921 DIAPZTYCSKMZBL-LEWJYISDSA-N 436.625 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCO[C@H]1CCCC[C@@H]1C 1300907597 LLSLDLIDYNMCHX-FPOVZHCZSA-N 440.588 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CCCCC1 1300912512 DHECLLLNQRHOEW-XMMPIXPASA-N 437.632 4.956 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCO[C@H](C)C2)CC1 1301075682 NZOABOYJVPGECH-CVEARBPZSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1301129619 YAWNHTDAJNQGGR-JOCHJYFZSA-N 427.662 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCSC[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301158428 FEOKZLVWLLNJQV-OKZBNKHCSA-N 449.665 4.593 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cnn(C)c1 1301168594 SIKZXQSCZUPKIT-UHFFFAOYSA-N 449.422 4.734 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1301208332 SDCWNHPGPGSPAD-QFIPXVFZSA-N 426.605 4.839 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC=C(C)C)C1CC1 1301327106 MOSYZLLBVCPIJY-IBGZPJMESA-N 429.609 4.904 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@@H](OC)C(F)(F)F 1301371247 ADHBLGVDJZHNFG-HXUWFJFHSA-N 445.489 4.948 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2nc(C)c(C)s2)C1 1301538956 MRBSGJPYUPVHME-NHCUHLMSSA-N 437.613 4.723 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2(COC)CCC2)C1 1301542458 OBGAYMMTEITNPO-HXUWFJFHSA-N 430.980 4.587 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)c1cccs1 1301601527 FMMDREADXCKHPA-MRXNPFEDSA-N 442.610 4.894 30 10 IJEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CN(C)C(C)C)CC2)CCC1 1305900888 FTMSUMSVDKSLBP-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE C#CCC[C@@H](O)CNCc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 1308507929 VOYPWNKCGXHCSI-RUZDIDTESA-N 425.532 4.565 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1CC1(SC)CC1 1313745992 CUVSYELXHKSJGL-UHFFFAOYSA-N 439.610 4.712 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CCCN1C(=O)OC(C)(C)C 1349428189 NJKZMUZPHZMKJI-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE COC(=O)Nc1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)ccc1F 1356318167 HMRXRCSWZYDOIF-UHFFFAOYSA-N 433.439 4.901 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2Cc2ccc(CC)s2)c1 1358901250 FBAGFZZJACAGIA-KRWDZBQOSA-N 435.597 4.520 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC(F)(F)C1 1358923955 HRRJJHSUMXSSON-UHFFFAOYSA-N 441.295 4.742 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](F)c1ccc(Br)cc1 1359007645 PUJTVUUJUYUAOC-GOSISDBHSA-N 442.336 4.581 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1359085876 CAMRXCLIZRSRKD-NRFANRHFSA-N 428.378 4.885 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1359151934 HFTYSBRMDZAXGZ-DLBZAZTESA-N 436.934 4.543 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCOC(C)(C)C)CC1 1359176609 HIVXMTARJSGCSL-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359176693 KMMKYQPUNCXSGJ-GOSISDBHSA-N 425.577 4.603 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 1359208729 SBXRRTFJVIZEPN-SFHVURJKSA-N 438.551 4.641 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1Cc1cn2ccsc2n1 1359255865 MYPOMZSEJXOWDZ-QGZVFWFLSA-N 431.569 4.613 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N1CCCC1 1359268859 FWZMKWUBUUQQOX-QFIPXVFZSA-N 444.608 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CC(F)(F)CO1 1359277011 ZYJDVLFFSCYVFN-OAQYLSRUSA-N 442.510 4.760 30 10 IJEE Cc1ccc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@](F)(C#N)C2)s1 1361266668 COVLCSZXZIQWJB-JPYJTQIMSA-N 439.560 4.895 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)C(C)(C)C)cc1 1435952994 FATWMDURBIIKFC-QHCPKHFHSA-N 436.552 4.962 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 1443789169 LFPROHWKERDZSS-KRWDZBQOSA-N 437.968 4.954 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)oc2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458728367 CUEDAWTZPRVHLJ-GFCCVEGCSA-N 444.578 4.749 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1460792836 YLECOWFFSBBFRU-QEEYODRMSA-N 443.906 4.974 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c1C#N 1464210692 CATAUMDMSNHRKH-QZTJIDSGSA-N 448.636 4.960 30 10 IJEE CC(C)[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@H](CO)C(C)C 1465516246 GQMWQVIEGFQEKW-OFNKIYASSA-N 427.520 4.687 30 10 IJEE C#CCN(C(=O)Nc1c(C)cc(C)nc1C)[C@@H]1CCOc2ccc(Br)cc21 1466754947 JZDKSEHBCFUHRL-GOSISDBHSA-N 428.330 4.760 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 1469114482 NUXJIPCYMWHFTC-QFIPXVFZSA-N 448.535 4.503 30 10 IJEE C#CCN(c1ncc(Br)cc1F)[C@H]1CCOc2ccc(Br)cc21 1472696139 FAVWQXBCJGRWLP-HNNXBMFYSA-N 440.110 4.709 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl 1472924782 YOJQJUAPOMSMCN-IBGZPJMESA-N 435.376 4.975 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C 1476729218 RLNZYGMUULUMQQ-UZLBHIALSA-N 444.373 4.656 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 1477256537 AKPXROYNGHZNJK-HSQYWUDLSA-N 442.028 4.992 30 10 IJEE Cc1nc(-c2ccc([C@H](C)NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)cs1 1477485314 FBKUBKRTKNNABK-INIZCTEOSA-N 449.555 4.722 30 10 IJEE CCCCC1CCC(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1477595842 GICYYWLUZGKCOJ-UHFFFAOYSA-N 439.560 4.634 30 10 IJEE C#CCN(C(=O)N[C@H]1CCc2ccc(C)cc21)[C@@H]1CCOc2ccc(Br)cc21 1478913673 WYFDJYFFYXPPID-LEWJYISDSA-N 439.353 4.913 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCCCC2)c(C)n1 1500518122 AFGVYAHQNQDJTB-UHFFFAOYSA-N 431.588 4.939 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)CCCC1 1504767268 CXXAKXXRAQAXRI-UHFFFAOYSA-N 432.572 4.544 30 10 IJEE N#Cc1ccccc1N1CCN(c2nnc(CC3CCCC3)n2CCCC(F)(F)F)CC1 1505319644 FVSUZJSGBVONNR-UHFFFAOYSA-N 446.521 4.552 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1507572997 BZCZZKZTKWAUOC-UYAOXDASSA-N 442.991 4.738 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCc1cccc(C)n1 1507680075 WVLBYHIZZCNNCF-JOCHJYFZSA-N 431.584 4.831 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1nc(C)cs1 1507681308 SMASGGDIKBRMQU-INIZCTEOSA-N 430.581 4.830 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1ccccc1OCC(F)(F)F 1507768823 XVSGSUOADVOAMJ-JOCHJYFZSA-N 432.490 4.917 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cc(C)no1 1507815597 BYZDOVHIFFOQIH-UHFFFAOYSA-N 434.313 4.594 30 10 IJEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1507846299 HPYQPQHIVSURDF-UHFFFAOYSA-N 445.489 4.512 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1507911476 HKASBICTEWEHHW-HXUWFJFHSA-N 432.341 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]2CCC[C@H]21 1507920311 UNCMVVAWDLHJRR-ZWKOTPCHSA-N 427.618 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1CCCCC1 1508021706 PQNRZTFEVLEMCO-UHFFFAOYSA-N 432.616 4.724 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC=CCC1 1508038452 SJEVNUGSUNZZKO-INIZCTEOSA-N 449.368 4.842 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1508046507 BFHVSKGNIHNJDY-KGLIPLIRSA-N 425.396 4.597 30 10 IJEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1509563951 FQZYHVCBULHBTR-HXUWFJFHSA-N 442.558 4.563 30 10 IJEE CC(C)SCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N 1509889021 CFOCFXRGGUVLIK-LBPRGKRZSA-N 428.425 4.649 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)n1 1511450260 ADRZDEFUGXKXAJ-ZBFHGGJFSA-N 444.992 4.818 30 10 IJEE Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(CC#N)CC2)cc1F 1511603563 AAVLJDCTIBBFJP-UHFFFAOYSA-N 449.578 4.678 30 10 IJEE COc1ccc(-c2csc(CNC(=O)c3ccc(Br)cc3C#N)c2)cc1 1516446258 BYMIAMATUXNHOP-UHFFFAOYSA-N 427.323 4.988 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(C)nc3ccccc23)c(C(=O)OCC)c1C 1524509550 PIBDMDSQDORGGR-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE C=CCCSCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 1527934051 RAYKIWYDEYUECB-UHFFFAOYSA-N 434.487 4.721 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1527941346 KUROEKVSHTYALQ-JOCHJYFZSA-N 438.952 4.650 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)c1ccc(Cl)cc1F 1528531538 LSXZJFYMYKYQOE-SFHVURJKSA-N 429.829 4.536 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 1535722432 SYJMZAYWRWIWNV-NRFANRHFSA-N 433.577 4.564 30 10 IJEE Cc1ccc(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1C#N 1537859651 HTHKNLLDPLSRRW-FQEVSTJZSA-N 426.442 4.745 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 1538240892 BAFARJLPLOFHHM-UHFFFAOYSA-N 435.936 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC(C)(C)C1 1538970111 AADCNSYKZHGDQP-MOPGFXCFSA-N 444.023 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCSc1ccccc1 1539036111 YDXVQURXIVHZSH-HMXCVIKNSA-N 426.630 4.837 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1539656517 VWKUVNDYXOXFDD-OAQYLSRUSA-N 425.621 4.724 30 10 IJEE COC(=O)C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)cc1 1539704591 CKNFGAIREDJNGG-OAHLLOKOSA-N 437.311 4.898 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(N(C)C)CCCC2)CC1 1539836394 QYCNAOJFQDZSEZ-UHFFFAOYSA-N 429.996 4.638 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1539920547 HHZLSOWALMONLM-XDHUDOTRSA-N 431.625 4.572 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1539948210 VFTMVZCMQSXEHQ-KDURUIRLSA-N 427.618 4.834 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1539952637 HZXBJHZUVFAPDY-UHFFFAOYSA-N 446.599 4.511 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CCC(OC)CC1)C1CC1 1540098968 OJANGLACMUQAIS-UHFFFAOYSA-N 425.533 4.603 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1540855810 YSKFAKVFOIMADZ-WMZOPIPTSA-N 445.995 4.914 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)N1CCc2ccccc2C1 1546227058 YSDSIIKDBMSOGN-INIZCTEOSA-N 431.349 4.550 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC(Oc3cncc(Cl)c3)CC2)c1 1559866931 GQXLCZSSJUSSPP-IBGZPJMESA-N 440.975 4.530 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1(c2ccc3c(c2)OCO3)CC1 1562929274 NXJSWBQBFNRXNO-UHFFFAOYSA-N 431.286 4.553 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC3(CC2)C(C)=Nc2ccccc23)cc(OC)c1OC 1563814677 IYZBMORPUZOPCC-UHFFFAOYSA-N 433.552 4.782 30 10 IJEE C#CCN(CC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C 1566267660 GBCDACYJHIHCJT-JOCHJYFZSA-N 438.955 4.836 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ccc(F)cc2OCC#N)c2ccccc21 1566390484 HANSOXRUPOCOAJ-OAHLLOKOSA-N 425.460 4.596 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 1586089817 BGWFQICPUOELLX-UHFFFAOYSA-N 428.492 4.786 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 1587170633 FDMAZGDGLUPKKU-UHFFFAOYSA-N 430.386 4.936 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C(C)(C)O)c1 1587579050 CIQADDFUBVNTEN-ZWKOTPCHSA-N 448.636 4.865 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCC(C)CC1 1588473725 SSSMKFRZQVRLEM-NHCUHLMSSA-N 425.596 4.691 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1589721984 KFBHYGSJHBNXEN-WBVHZDCISA-N 426.362 4.994 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1593894902 HVPPNIMPTBCWAD-UHFFFAOYSA-N 445.329 4.698 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2c(C)nn(C)c2C)CC1 1594014124 OFDKQYIPRMGFSI-NRFANRHFSA-N 434.588 4.590 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1594478878 ZOXVCAJDKGIGRL-JOCHJYFZSA-N 447.631 4.981 30 10 IJEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCC1(F)F)C1CC1 1595071039 WMWFYUSPNVOXJJ-KRWDZBQOSA-N 432.515 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)s1 1595165195 CIPDLSJGACVWCH-PXNSSMCTSA-N 444.626 4.674 30 10 IJEE COc1ccc(-c2nc(C)c(C(=O)Nc3c(C)c(C#N)nn3-c3ccccc3)s2)cc1 1595534412 GTMTYKYYYDRIQE-UHFFFAOYSA-N 429.505 4.745 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1596806003 BLEUOBYQROWUGR-OUDXUNEISA-N 445.615 4.600 30 10 IJEE CCCCn1c(S[C@H]2CC[C@H](C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1613122751 AXTNUCCDRWGDQO-ROUUACIJSA-N 446.642 4.795 30 10 IJEE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C 1616380770 WOZKAUQKUYCAPZ-QHCPKHFHSA-N 440.503 4.529 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 1616908204 GRNXRWJFJLZDPC-UHFFFAOYSA-N 434.908 4.893 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](c2cccc(Br)c2)C1 1618026488 DAEQOBRKXSYHFN-CZUORRHYSA-N 432.749 4.791 30 10 IJEE Cc1cc2occ(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c2cc1C(C)C 1624572405 BYAIEBCEJIWXJF-DEOSSOPVSA-N 433.527 4.955 30 10 IJEE C=C[C@@H](C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccccc1 1629394159 PKUXZPOPIJFCPZ-NOZRDPDXSA-N 433.573 4.882 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCCN(CCc2ccccc2)C1 1629601441 TZXZLKYAADEXII-IBGZPJMESA-N 443.385 4.907 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1NCCC 1631706039 ZBJCBMBBKQHYDG-INIZCTEOSA-N 427.467 4.773 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)c(F)c1 1634454108 SIGWRXHQOSUHBS-QFBILLFUSA-N 449.295 4.514 30 10 IJEE C=CC1(CC(=O)Nc2cccc(Cl)c2OCC(F)F)CN(C(=O)OC(C)(C)C)C1 1636974449 UXZWICQNADOAJT-UHFFFAOYSA-N 430.879 4.736 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1643322511 DYRUGSMKFKWQKC-RDJZCZTQSA-N 439.478 4.593 30 10 IJEE C=CCn1c(SC[C@H]2CCCN(C(=O)C(C)(C)C)C2)nnc1-c1cccc(OC)c1 1643757712 POAOEFHJADCRCC-KRWDZBQOSA-N 428.602 4.517 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)CN2CCC[C@@H](C)C2)cc1OCC 1648914009 MKWDSTYKKVYGBE-IAGOWNOFSA-N 425.411 4.623 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1OC 1651340131 MJDYQYNTCUNVHV-OXQOHEQNSA-N 427.850 4.938 30 10 IJEE C=CCN(Cc1cnc(NC(=O)OC(C)(C)C)s1)[C@H](Cc1ccccc1)C(=O)OCC 1652206693 NUOLRZJNRPWYTE-LJQANCHMSA-N 445.585 4.653 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCc3nc(-c4ccccc4)sc3C2)c1C 1654157914 CPZUBCQVJPYPTE-UHFFFAOYSA-N 430.577 4.732 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1656015255 AHHIXLJMIPVWLI-UHFFFAOYSA-N 427.932 4.652 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCc2ccc(C)cc2)nnc1-c1cccc(Cl)c1 1656403198 MMCAXKXAIDTTBE-MRXNPFEDSA-N 426.973 4.890 30 10 IJEE C=CCN(Cc1ccc(C2(C(=O)OC)CC2)cc1)Cc1cc(Br)ccc1F 1657161600 HBINSQDYXCIZMZ-UHFFFAOYSA-N 432.333 4.981 30 10 IJEE C#CCN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)CC(=O)OC(C)(C)C 1659322745 YBORVUNSIRZXHO-UHFFFAOYSA-N 440.154 4.516 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)c2)s1 1660363948 GUWLJWDVVYKSTF-UHFFFAOYSA-N 447.463 4.656 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1C 1661606013 CXIKSRGBAWQPSI-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc2)nc1 1666473152 AUKKHQAVMBADOM-UHFFFAOYSA-N 442.475 4.578 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(Oc3cc(C)cc(C)c3)c(C)c2)n1 1667741721 CXFAPFQBQZGLMG-UHFFFAOYSA-N 430.552 4.966 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C)c1ccc(Cl)cc1F 1669876787 SQOBHWYHRYDRHT-INIZCTEOSA-N 443.327 4.811 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2ccc(Oc3cc(F)cc(F)c3)nc2)CC1 1672063173 GQCPEOMVTFIMGL-UHFFFAOYSA-N 449.461 4.814 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2cc(Br)cc(C(F)(F)F)c2C)CC1 1673193150 PTXADFIJMBTIDL-UHFFFAOYSA-N 434.300 4.938 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCc2cc(Br)cc(F)c2C1 1673743202 BHAQATFBXGUYEM-HXUWFJFHSA-N 428.305 4.605 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 1675070827 OBRCAUROQLXNDA-FGZHOGPDSA-N 427.589 4.715 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C(C)C 1675965085 YFSMXXSKHLMSKL-IAGOWNOFSA-N 444.567 4.750 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 1679243439 HBQUBULRYWMOIR-UHFFFAOYSA-N 434.433 4.888 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1680515176 JYIJWPAFHCPIPC-MJGOQNOKSA-N 444.375 4.519 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(C)C 1681568418 XDOWCSSCFQUSDF-UWJYYQICSA-N 439.431 4.570 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 1681942360 LGOVPSOHHFXKQX-PZJWPPBQSA-N 434.458 4.856 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1C(=O)N(C)Cc2ccccc21)c1ccc(C(F)(F)F)cc1 1685817302 LDVCBQWAYIOBND-WOJBJXKFSA-N 431.458 4.725 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccccc1SC)C1CCN(C(=O)OC(C)(C)C)CC1 1686266286 BKJFUTKRGQCPFP-KRWDZBQOSA-N 431.602 4.514 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1689949810 SELSLLCHWUZDAR-LSDHHAIUSA-N 428.405 4.910 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCC(F)(F)F 1690250399 GZEKRDCUGUWGJK-GHTZIAJQSA-N 447.505 4.651 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](CCOC)C1 1690354144 GQJQVIQRQPKTCF-OAHLLOKOSA-N 427.401 4.839 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N(Cc1ccnn1C)C1CC1 1690354551 UUTRPHGNLUULDA-UHFFFAOYSA-N 428.993 4.534 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1690554207 XQHLDIPWOZNOBP-WSWWRLHASA-N 430.637 4.803 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CCc1ccsc1 1690556179 OSVQYRHKAFYJBN-NRFANRHFSA-N 438.597 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC[C@@H](F)C1 1690601221 USCOJUYSQWCNMY-FUHWJXTLSA-N 449.368 4.936 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2[C@H]2C[C@H]2C)C1 1690690297 VYIWRFXTWCOXHC-MRRJBJDNSA-N 437.769 4.723 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2nccs2)CC1 1690737500 NZTNMTXLNSFYQP-UHFFFAOYSA-N 447.033 4.753 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)c2)C1 1692850724 ABHDIOMSTQZBAK-RXVVDRJESA-N 433.478 4.717 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)c2ncc(C)s2)c1 1692961876 AMYDUBNPTATKCV-ROUUACIJSA-N 438.601 4.781 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C1CCCCC1)N(C)C 1705625299 FLYNQBJYBHHFKU-XMMPIXPASA-N 448.590 4.563 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CC[C@H](F)C1 1705671398 JDIMFLFPOWYDPD-KNOQFWTLSA-N 440.563 4.873 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCCC[C@H](SC)C1 1705701745 IGTWTKVKGVEENQ-GPXNEJASSA-N 440.657 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(O)cc1 1705719778 KQMWWOBOJISQNC-FQEVSTJZSA-N 441.576 4.506 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)c1ccco1 1705727087 FAQXLQPGSGZZAY-OAHLLOKOSA-N 431.334 4.986 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)CC[C@@H]1C 1705740178 DNWDFMYMGVELMM-OALUTQOASA-N 430.618 4.797 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1705796352 CZCIFJMBMDCURR-QHCPKHFHSA-N 430.600 4.667 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705822808 RCQFBPKZPHJYPF-OAQYLSRUSA-N 434.588 4.558 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(F)(F)Br 1705834542 MYJIXESJQCUSKM-CQSZACIVSA-N 429.309 4.645 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2CC2)C1 1705916351 OYNHESWVQRMFLI-FXAWDEMLSA-N 430.980 4.880 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1706077023 FPKSHASJPYZFND-ROUUACIJSA-N 432.597 4.886 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 1707532177 DYEWXABGOIWVHG-QTEQDKRBSA-N 439.604 4.603 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccoc2)cc1OC 1709856138 ICXFMXBOBIUVHM-DEOSSOPVSA-N 435.528 4.514 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CC1 1709875511 CSAHOMPOVGVRRT-IFMALSPDSA-N 439.629 4.745 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722327940 VBJXSNQRVCBQCI-FQEVSTJZSA-N 440.897 4.542 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(CC)(CC)SC 1722394391 SWKGQDMWGVKTKI-UHFFFAOYSA-N 447.608 4.985 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC[C@@H](F)C1 1722401875 KZRXAQAYSGKUKN-IEBWSBKVSA-N 430.980 4.825 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCn2ccnc21 1722417004 UCQUUYWXIINHLL-OAQYLSRUSA-N 446.599 4.523 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1Cc1ccnc(OC2CCCCC2)c1 1722418454 QXWFBTKASCBXLZ-UHFFFAOYSA-N 433.531 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C(F)(F)F)cs1 1722513654 DKGCEHWNHXGTND-UHFFFAOYSA-N 439.482 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCc1nnc(C)s1 1722514060 TYMZXGPZNNFWQT-UHFFFAOYSA-N 431.009 4.717 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2cccs2)N(C)C)CC1 1722576365 MQCXTFUTQHMSQZ-NRFANRHFSA-N 437.613 4.721 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2CC(F)(F)Br)CC1 1722582964 MTDHGRRLYHJNFM-UHFFFAOYSA-N 425.321 4.567 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1CCc1csc(C(C)(C)C)n1 1722677423 DVSZELLJECHECN-UHFFFAOYSA-N 425.602 4.581 30 10 IJEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC(C)C)C1CCCC1 1730340909 CKEJLLINGGDOAI-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cccs1 1740559028 ZUAMZMUWXGRMJT-AWEZNQCLSA-N 435.380 4.926 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)c1ncc(C)s1 1740599580 AJDXTLXLNFNONG-QGZVFWFLSA-N 444.608 4.991 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCOC(C)C 1740647980 BBKRLHFITGNWNJ-UHFFFAOYSA-N 436.556 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@H](O)C1 1740725678 OXKCZZJMNFUHGD-KTXJPYHWSA-N 442.991 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCOC(C)(C)C 1740726714 LKTOFZSISUYUNI-OAQYLSRUSA-N 431.378 4.515 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1740743658 AYKVEVRDOKLAMC-OALUTQOASA-N 447.377 4.778 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](CCC)C1 1740779345 BTDYORGIRUHBKT-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H](OC)C(F)(F)F)CC1 1740842454 AHTLDWMNCZOZKS-KZNAEPCWSA-N 444.542 4.567 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740869366 LCLGGVWGKRNOKP-KGLIPLIRSA-N 425.396 4.739 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1740909089 XGUKTWQRNDCCNK-UHFFFAOYSA-N 449.502 4.827 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1)C1CC1 1740913337 KUXFXNXUMAJEHW-UHFFFAOYSA-N 444.023 4.930 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1740915721 QAJJLDSWEDPZTA-RTWAWAEBSA-N 439.648 4.897 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(CC)s1 1740942471 QSVQMPQCAKKRLV-WOJBJXKFSA-N 432.634 4.508 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](OCCC)CC2)cc1 1740969048 SJHVXHFISAUCGO-JTHBVZDNSA-N 440.588 4.528 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)C1 1743068017 ACMIOQKDHHIELQ-RTBURBONSA-N 441.023 4.849 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C)=C(Br)C1 1748722179 UORKPOJSNYKKSE-UHFFFAOYSA-N 431.353 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@@H](F)C1 1749058413 HRNMNLOIGBGZGU-PJIJBLCYSA-N 437.382 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCN(C)C(C)C 1749146598 IWYITPPSNUHATQ-UHFFFAOYSA-N 426.428 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)CCC 1749146973 UQGDZZFVWOCTMK-SFHVURJKSA-N 427.412 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCC[C@H]1C 1749147510 KHORGSQEVLMHMQ-IIBYNOLFSA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCc1ccccn1 1749149884 IEKHIWAUBYUSIE-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)S[C@@H](C)C1 1749239938 QALKHMFDGNODPY-ROUUACIJSA-N 448.658 4.502 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C)nc2)CC1 1749292031 NQBYGENFMCGECF-HXUWFJFHSA-N 433.556 4.725 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1749434143 JEDTXMUPUBLBKC-NRFANRHFSA-N 434.588 4.687 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1749512127 TXZHOQRQUQUFMX-DLBZAZTESA-N 445.405 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1ccc(C)cc1 1749544749 MJABZVPWYFTQLW-HXUWFJFHSA-N 449.624 4.880 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2sccc2C)C1 1749718753 HOMMRCFBUWLPSK-FQEVSTJZSA-N 438.597 4.619 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749762432 UVMSJXJPSFUGCD-UHFFFAOYSA-N 443.642 4.735 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccc(F)c1 1750791977 GPTCWFLKPXTCPB-UHFFFAOYSA-N 437.567 4.562 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCSC(C)(C)C1 1760318413 NYCIQWCFLBSDMW-RTWAWAEBSA-N 426.630 4.821 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CCCOc2ccc(F)cc2)nnc1C(C)(C)C 1760328156 RKVSBTSXHIXTST-GHTZIAJQSA-N 430.568 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(CN2CCCCC2)cc1 1760332921 QBDPXQIMFLGIJH-UHFFFAOYSA-N 432.616 4.720 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760359266 DCOKPQWJXVZUEY-KNQAVFIVSA-N 449.426 4.676 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1760386024 HLOPOMRYZHIZQH-UHFFFAOYSA-N 441.963 4.549 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CCOC)CC2)CC1 1760398082 LCMIILUGWJMGTP-UHFFFAOYSA-N 432.515 4.766 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 1760406234 XOAOONJSOJNIJM-UHFFFAOYSA-N 433.021 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760416267 ZBMWGTAKDWFGCQ-KNQAVFIVSA-N 426.605 4.937 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(C)C)C1 1760446319 NVZPOVHOGFJUQM-FQEVSTJZSA-N 444.645 4.729 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC(F)(F)F 1760447905 RWRJRAOWVZFFCX-UHFFFAOYSA-N 433.478 4.783 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1760477829 MDRVUGNSWURZES-NRFANRHFSA-N 434.588 4.685 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1760487080 IZAOEZDZCULMCR-HSZRJFAPSA-N 428.602 4.848 30 10 IJEE Cc1cc(C)n(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)n1 1762470183 AVUFRWOGTZIUAV-DENIHFKCSA-N 449.603 4.677 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(C(C)C)CC2)c1 1769937353 BCBMFXCHQHDBHR-OAHLLOKOSA-N 446.393 4.748 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1771528589 CDULMRCJAOQZHF-CKFHNAJUSA-N 425.405 4.820 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)Cc1cc(OC)ccc1Cl 1860983126 VUSVRDSWSREJEZ-FQEVSTJZSA-N 443.053 4.606 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)COc1ccccc1OCC)c1ccccc1 1861630720 DMQNICXBFVBDTH-RUZDIDTESA-N 440.584 4.798 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1F 1862411547 KFGUCRSUNMCXLE-OAQYLSRUSA-N 447.453 4.889 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCn2ccnc2)c1 1862429301 KCZOPGSNTSPNBA-OAQYLSRUSA-N 435.911 4.514 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@H]2c2cccc(C)c2)cc1 1862475672 RRRQEKZQMMNPHA-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C(C)C)cc1 1862526104 PAOFNHPWOLXYKB-IBGZPJMESA-N 444.325 4.835 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862562758 NIMFVTHDSUIXGB-IBGZPJMESA-N 449.334 4.581 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(Br)c2)c1 1862566193 QFNBGDNKIXAHIE-LJQANCHMSA-N 441.325 4.552 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2)c1 1862590170 CJJZUFWZZQJNSC-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(N(C)C)cc1 1862595706 OTTKRUXGVRNYGW-OSPHWJPCSA-N 442.515 4.798 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862663690 SRBCYDKGGWHCHU-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(C)cc2)cc1 1862687310 JFZUSXAABMODBW-JOCHJYFZSA-N 433.529 4.886 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862703595 JSWZUGKMQYPEQK-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE CCCCCCCCNC1=C(c2cccc3ccccc23)C(=O)N(CCc2cnc[nH]2)C1=O 1863584303 KYHXWPLMCWESJV-UHFFFAOYSA-N 444.579 4.836 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(OC)cc2)C1=O 1863671176 KRJDMFPDNQLQLH-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(C(=O)OCC)CC2)nc(-c2ccc(Cl)cc2)n1 1867982221 XBRRRCRZPXUFRJ-UHFFFAOYSA-N 440.975 4.755 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868399056 YRXNIBYNFGDHHR-QFIPXVFZSA-N 430.531 4.677 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)Cc1nc(-c2ccccc2Cl)oc1C 1868646384 NHLIJQHYMRWHGL-HXUWFJFHSA-N 443.975 4.722 30 10 IJEE C=CCOc1cn(C[C@@H]2CCCO2)c(CSc2nc3ccccc3n2CCC)cc1=O 1870244341 KPKOPSPVOHCYOR-IBGZPJMESA-N 439.581 4.644 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3ccccc23)C1 1871319113 DVZRHUCFODKPDX-OAQYLSRUSA-N 430.614 4.717 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(-c4ccccc4)cc1)C3=O)CN(C[C@H](C)O)CO2 1871355057 PQJWIKLHQOWRIG-VJUVOTIISA-N 427.500 4.811 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871403840 BLDXMGVXIVDHQR-VOMLJKFNSA-N 444.443 4.925 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(OC)c4)cc(C)c3C2=O)cc1 1871442017 VXHHEZISEIHNOV-FMCGGJTJSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871912929 PKRGSWCMZRBWEO-QFIPXVFZSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872237627 OCNJHWQSTSNJPD-LJQANCHMSA-N 441.380 4.978 30 10 IJEE CC(=O)Oc1cccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872765659 ULPDILHIDOGFLU-KRWDZBQOSA-N 441.306 4.988 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(OC)c1OC 1872776899 ADMBXPHGNIWRET-HNNXBMFYSA-N 433.489 4.807 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Br)c(C)c2C)[nH]1 1873469774 GXEICFXDPZCGPV-UHFFFAOYSA-N 449.356 4.958 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccccc2n1Cc1ccc(C(=O)OCC)o1 1873514837 CKPRMOUGULIBCK-UHFFFAOYSA-N 432.476 4.998 30 10 IJEE CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874276664 YDLPJLGXXBBJJC-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1O 1874282890 FEYRAZCJCGTPNM-FSJBWODESA-N 428.945 4.678 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccco2)c1 1874373643 PBUGKMIVWJBWLM-AFUMVMLFSA-N 449.511 4.522 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCC)cc1OCC 1874384727 FBSASCHWVNULNJ-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccccc2)ccc1O 1874428324 DFZDXKPOYJCCOP-LFVJCYFKSA-N 445.504 4.776 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@H]1CCCO1 1874450333 ZHLSQMMLWCLDFQ-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)c1O 1874452876 RZXCAGXGDLRADH-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OC)cc1 1874456484 UYKXXIUNKARDMK-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C(F)(F)F)cc1 1874459345 IUUVTFHXFSAVDL-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccc(O)cc1 1874478410 YTNKXSCWUQWVAY-BUVRLJJBSA-N 437.569 4.502 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)OCCC)cc1 1874491802 JWLRKUCWPLREFZ-HZHRSRAPSA-N 432.590 4.583 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C/c2ccc(C(F)(F)F)cc2)o1 1874531958 KQENMYRUDPBNBY-AUEPDCJTSA-N 438.431 4.550 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cc(C)ccc3OC)cc2OC)o1 1874619493 DBNQYWZEYQSHLR-RMKNXTFCSA-N 436.460 4.867 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC 1874623699 QOBXMDBNUKJTNV-JXMROGBWSA-N 443.515 4.766 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)cc1 1890023953 WOTXIGNXZIYMKQ-UHFFFAOYSA-N 427.348 4.558 30 10 IJEE C#CCO[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)C1 1891803751 ZMMQWFADBXODJG-GOSISDBHSA-N 435.321 4.529 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Cc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 1892326380 ZXNHGWOVSDATFQ-UHFFFAOYSA-N 431.923 4.895 30 10 IJEE Cc1cc(Br)c(F)c([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 1927528635 OANNBIGYIGJYPX-BBRMVZONSA-N 427.314 4.877 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930841193 TZBJGIGHQCZDTG-MISYRCLQSA-N 429.561 4.961 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C(C)(C)C1 1949246975 LTBWUOBLQNGRAS-VWLOTQADSA-N 428.621 4.512 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 2020331959 JCYVQMVRLJZPNZ-ZCNNSNEGSA-N 437.625 4.615 30 10 IJEE COc1cc(C=CC(=O)c2cccc(-n3cnnn3)c2)ccc1OCc1ccccc1Cl 2040453951 BPLMQTVFXLESBD-UHFFFAOYSA-N 446.894 4.799 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2110509257 ITPYGIHSXIDBOF-IAGOWNOFSA-N 443.813 4.930 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCCC 2145540115 AHLGAPDOUHXJTO-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)c(Br)c2)Cc2ccccc21 2174768115 RVHPSOJNEYUELL-LJQANCHMSA-N 428.330 4.907 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(C#N)c(Br)c1 2181055313 HFOBBCKUOJHMJO-UHFFFAOYSA-N 438.366 4.980 30 10 IJEE COc1cc(Nc2ccc(Br)c(I)c2)ccc1C#N 2226049873 KBPBEUJXGRULHS-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1ccc(N(C)C(=O)OC(C)(C)C)nc1 2235732817 SPLWLGWTCNGINK-GOSISDBHSA-N 430.346 4.528 30 10 IJEE C=C(c1ccccc1)[C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237418470 MSEFJPKKVPKOOD-VQTJNVASSA-N 431.374 4.926 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(OC)c(Br)s2)C1 2263825646 UQIIEMHLSWLWJJ-AWEZNQCLSA-N 431.396 4.641 30 10 IJEE C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267115879 POXIYZPBIYEBDE-PSWRPDDJSA-N 440.437 4.664 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cccc(OCc3ccccc3)c2)n1 2282049722 DMSHOINQEMZJTJ-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)C#Cc3cccc(Br)c3)CCC[C@H]12 2296225344 UIJKSVFFFQWOME-AVRDEDQJSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@H](O)C#Cc1cccc(Br)c1 2296227430 OOVPIADIISCVPX-UYAOXDASSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@H](O)C#Cc1ccc(Br)cc1)C2 2296276963 NHHPVMFGLAOYPN-LJQANCHMSA-N 434.374 4.589 30 10 IJEE O=C1C(=CNc2ccccc2F)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 2297375424 CFHTWKAVFVDVAY-UHFFFAOYSA-N 442.899 4.965 30 10 IJEE CN[C@H](C#Cc1ccc(C(F)F)nc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2301931310 RYUIMMMFYLMBQO-HXUWFJFHSA-N 429.511 4.786 30 10 IJEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(CCCCCO)CO1 2322095543 HOLHTOROIZHKSN-UHFFFAOYSA-N 434.319 4.924 30 10 IJEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccc(O)c(Cl)c2)c(C(C)(C)C)c1 2322260445 ZODOKUVMIRAMPS-UHFFFAOYSA-N 430.961 4.993 30 10 IJEE CCN1CCN(Cc2c(O)cc(C)c3c2OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)CC1 2324124842 XTRPPCLYSQEVNN-UHFFFAOYSA-N 434.580 4.752 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c1 2325384772 JETOLNXGVQFERP-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(OC)c1OC 2327264065 IZDOPHNGIHPSPU-UHFFFAOYSA-N 440.569 4.794 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2ccccc2OC)nnc1SCC=C 2328298240 RVSNLCJMUHFIKD-UHFFFAOYSA-N 436.537 4.591 30 10 IJEE CCOc1ccc(C=Nn2c(COc3cccc(C)c3C)nnc2SC)cc1OCC 2328813994 NZMDOINYDPPNSX-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Cn1cccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1F 2329663567 AMXQCYBRKWPUBL-UHFFFAOYSA-N 425.558 4.777 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccc[nH]2)cc1C 2330534659 XDGPBRWNZLRFOF-UHFFFAOYSA-N 436.566 4.565 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c(O)c1 2330979742 XUOHALJJJYZLFE-QFIPXVFZSA-N 446.532 4.869 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc(O)c2)o1 2331065805 GJMRLOANRRUTDO-UHFFFAOYSA-N 440.525 4.586 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc(Cl)c1 2331376791 WNXGJCKLELBJLN-UHFFFAOYSA-N 445.951 4.981 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OC(=O)COC 2331639481 GMPVGSKMOZCDQZ-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)C)cc1 2331678618 JHWFQBCSYXDQGY-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OC)cc2)n(-c2ccccc2Cl)n1 2331684869 GHZZWVFQXVMEPU-UHFFFAOYSA-N 449.942 4.760 30 10 IJEE CC#CCN(C[C@H](NCC)c1cc(F)c(Br)c(F)c1)C(=O)OC(C)(C)C 2337907399 OGEZLWUVEPQOSP-INIZCTEOSA-N 431.321 4.638 30 10 IJEE CCN[C@@H](C#Cc1nccs1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2338227747 REUNZWQFBDHRIB-INIZCTEOSA-N 436.375 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339597211 PLVJVPDYCVMPIN-CWSBKQHBSA-N 443.397 4.785 30 10 IJEE C[C@@H]1CC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339598435 CMPLISOKRJSKMB-IEBWSBKVSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@H](O)C#Cc1ccccc1Br 2358963838 KRBZNBSXCMVGAG-IJXRJRJASA-N 434.374 4.730 30 10 IJEE CC1(C)OB(c2sncc2C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C 2362500732 KNWAPWVGFGEQJL-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC[C@@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363843539 JIMHSKUDIVHMIQ-CLJLJLNGSA-N 448.460 4.937 30 10 IJEE C=CCCC[C@H](C)N[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2375579584 HPJAILNQMGSKOX-XPTSAGLGSA-N 425.186 4.907 30 10 IJEE COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)c1 9731713 OFCRQCFEBMTOKH-OAQYLSRUSA-N 436.899 4.638 30 10 IJEE CC(C)(C)c1nnc(CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)o1 20833118 UPXMQFTVSVWSMQ-FBCYGCLPSA-N 426.333 4.530 30 10 IJEE C=C(C)CN/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccc(CCC)cc1 22797316 CKBCKXMIHRNFRG-UHFFFAOYSA-O 432.407 4.794 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 33768193 KHMYYZLBHURGOM-NSXGMPHASA-N 440.455 4.773 30 10 IJEE COC(=O)c1ccc(/C=C2/Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 34387158 GXNNRPFYHCTMKP-UUKFLEPGSA-N 426.424 4.708 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)c(OC)c1 34955412 RTPQTUSEFVPZQT-XYOKQWHBSA-N 448.471 4.836 30 10 IJEE CC[C@@H](C)n1c(O)c(C(=O)c2oc3ccc(Br)cc3c2C)c(C)c(C#N)c1=O 40522630 FTDLSUXMHARFJP-SNVBAGLBSA-N 443.297 4.753 30 10 IJEE CCCCCCCNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100070494 NCWMJALONZZZRM-UHFFFAOYSA-N 437.403 4.942 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1Cl 102527188 KRTZTSBBFUMAHJ-HQMFNGAOSA-N 434.319 4.760 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(F)cc2)/C1=C(/O)c1ccco1 103219876 BCAHCUHTZCJDMV-VZCCSQPZSA-N 438.411 4.794 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)/C=C/c2ccco2)cc1Cl 107877598 CZBOGKSPBNBYNJ-FKVRIVCVSA-N 433.895 4.747 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 115031493 ZMVILNUGSGCOHK-UHFFFAOYSA-N 431.989 4.848 30 10 IJEE CC(C)COc1c(Cl)cc(/C=N/Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1Cl 169898733 FIDIXWMAMFXQNV-AUEPDCJTSA-N 432.311 4.620 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1ccc2c(c1)CCO2 169987993 BPEJMDPRHWDVOV-FQEVSTJZSA-N 439.439 4.744 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170048105 WLAWTCIQRXBZDZ-RUZDIDTESA-N 426.516 4.855 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1C 170059525 YRJAPICQYQNGMQ-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)c1 170102367 OEENWULDRMVNOS-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(N(C)C)cc1 170129204 GTEAOEWENRQEGA-QHCPKHFHSA-N 436.552 4.873 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(C)c2)cc1C(C)C 170143327 QHUIYYKMINHBQN-RDPSFJRHSA-N 449.547 4.884 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 170163114 WBLYSWLFGIRDGJ-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1)c1c[nH]c2ccccc12 170173395 CMCWFNVLJDRYOA-OAQYLSRUSA-N 429.863 4.999 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)c1 170184017 CEZLWVYJRGGRKD-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)c1 170199167 JVZLCFKUACRHRL-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)cc1 170203420 DQAIRSURGSHNJC-HSZRJFAPSA-N 428.488 4.899 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccncc1 170205728 AYPCUDQASFJVGN-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C)o1 170307156 QNJVXXSPLCJPCS-LJQANCHMSA-N 441.867 4.930 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)c1 170332029 LAPMUWYZTRRUAG-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2c[nH]c3ccccc23)cc1 170423113 LWNCFIFLSWUKRW-XMMPIXPASA-N 438.483 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)c3ccccc32)CC1 204082524 JBANNBSBVQOWMN-UHFFFAOYSA-N 426.366 4.513 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1ccc2ccccc2c1 253567745 KKFGJAZFDZIZEA-UHFFFAOYSA-N 446.551 4.874 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1 255933655 MXHSQCWFCPYYRA-UHFFFAOYSA-N 436.581 4.768 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 439565500 DIIAWZCIIVMOQD-IBGZPJMESA-N 442.519 4.695 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 482376172 DWUPDUQZUIQUII-QGZVFWFLSA-N 429.345 4.874 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)o2)ccc1OC 526604195 KLQURSKOJXOOOO-HSZRJFAPSA-N 430.460 4.924 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)c3csc(-c4cccc5ccccc45)n3)n2)cc1 538660006 RGYDBNFKUWJXQA-UHFFFAOYSA-N 436.500 4.727 30 10 IJEE N#Cc1ccc(-c2nnc(N3CC[C@@H](COCc4ccccc4)C3)n2Cc2ccccc2)cc1 570465405 GPOVXIAQITYPTI-RUZDIDTESA-N 449.558 4.908 30 10 IJEE C=CCN(CCOc1cccc2ccccc12)S(=O)(=O)c1ccc(Br)cc1 586124520 VRCOJOPDHUWESD-UHFFFAOYSA-N 446.366 4.858 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(C)c(C)cc2OC)cc1 586219837 XJZQFMPSZWQYOL-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 589322156 OMTDRIXGSHYMQB-HVCNVCAESA-N 432.564 4.683 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 670212326 URZIEZMVTZMYGY-MRXNPFEDSA-N 434.466 4.788 30 10 IJEE COc1nsc([C@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1Br 690151303 MQBPJXBLGLMFSW-NSHDSACASA-N 444.376 4.978 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(F)ccc1Br 700617179 VSNCRESFTLFUES-QGZVFWFLSA-N 428.346 4.732 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(c2cc3ccccc3[nH]2)CC1 744228187 DMLVXARUEREYFO-IBGZPJMESA-N 430.552 4.691 30 10 IJEE C/C(=C/C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1C(F)(F)F 745273689 QANXQPQPSOHJFD-FUYCXPICSA-N 430.426 4.987 30 10 IJEE CC(=O)CCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 745312968 GFKAIEMQPPMVFH-QGZVFWFLSA-N 440.471 4.865 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@H](C)CC)cc1 749887850 AFQSMGMRRZTYEE-GOSISDBHSA-O 440.633 4.932 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)[C@H](C#N)C(=O)N[C@@H](CC)c3ccccc3)c2)c1C 787046467 PZPIMMRFTIJLNY-ZEQRLZLVSA-N 428.536 4.642 30 10 IJEE C#C[C@H](NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccc(F)cc1 794893781 PIRLVLWWYYPSHV-NVTFYQKDSA-N 434.467 4.522 30 10 IJEE C[C@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)c1ccc(OC(F)F)cc1 920500488 YPOLJDQAWYBECV-VIFPVBQESA-N 448.369 4.676 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)Nc2cc(Cl)ccc2C)n[nH]1 1084378465 FCRVENXMFRLYNO-HXISQNHTSA-N 440.960 4.999 30 10 IJEE N#Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cs1 1124978957 BAWVMHSBVQPXRM-IBGZPJMESA-N 427.982 4.864 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1 1125843066 WRECNOKDIBWMKP-FQEVSTJZSA-N 430.454 4.532 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 1126240541 VQZDCYBXRAJFGE-UHFFFAOYSA-N 431.275 4.502 30 10 IJEE Cc1nn(-c2ccccn2)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1126519912 HHEJAGYKFVUBPD-UHFFFAOYSA-N 441.466 4.868 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccc(F)c(F)c1 1128248899 JXVFIAHEKGQPPV-ZHRRBRCNSA-N 448.535 4.575 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1128919453 BPUUDQYTQGGMCA-NBHGPNQESA-N 435.549 4.903 30 10 IJEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCCCC1 1129028193 DESQUBXSXURBBU-UHFFFAOYSA-N 440.609 4.636 30 10 IJEE Cc1ccc(Oc2ccccc2CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1129836566 AIEWQJDMVXNIDN-QFIPXVFZSA-N 443.522 4.983 30 10 IJEE Cc1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Br 1133159573 AXIMYJBBVYVISW-UHFFFAOYSA-N 425.282 4.731 30 10 IJEE C[C@@H]1CC(=O)Nc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2N1 1136285528 ICKQNQQRMHVLOI-QGZVFWFLSA-N 440.503 4.727 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3NCCCc3ccccc3)cc2C1=O 1138190571 BTXWWHSCYBYHPE-UHFFFAOYSA-N 439.515 4.766 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(F)F 1144506491 WQHBEKIZUUZEIP-FQEVSTJZSA-N 448.897 4.760 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(C)Cc2cc(Br)cs2)ccc1Cl 1190347340 AWCDOVIQTJMLFL-UHFFFAOYSA-N 440.794 4.851 30 10 IJEE C=C(Cl)C[C@H](NCc1cc(Br)c(C)c(Br)c1)C(=O)OCC 1207129279 MHGWSBMNCZPCDX-AWEZNQCLSA-N 439.575 4.684 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1)c1ccc(Cl)cc1F 1221718951 FQPCBSDZEASLPM-FOIQADDNSA-N 434.342 4.941 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1CC(F)(F)F)c1ccc(Br)cc1 1252457785 FFFLFQUBVUSHBZ-KRWDZBQOSA-N 425.248 4.728 30 10 IJEE C#C[C@@H](NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1252479397 MDSJYKJZJKUFIV-LADRWXRNSA-N 437.943 4.631 30 10 IJEE C=CCN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1269214838 KEOQCMYBYCURAY-UTKZUKDTSA-N 433.470 4.998 30 10 IJEE N#Cc1cccc(NC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)n1 1277174357 HPHVDDWSPYDRQI-IBGZPJMESA-N 426.245 4.614 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)CC1 1286323942 KEOFIBPBHDZQPS-RTWAWAEBSA-N 443.636 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCO[C@@H]1CCCC[C@@H]1C 1286455795 ZITSXUNZHVEAPP-GBXCKJPGSA-N 447.558 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(c2ccccc2F)C1 1286574156 VJHLPZIBFVBAPM-HXUWFJFHSA-N 434.563 4.717 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286590221 XPDKMMOYNRMVEJ-FQEVSTJZSA-N 439.604 4.777 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccccc1F 1286635425 RTJKYVPMSDOZJL-BLLLJJGKSA-N 438.841 4.830 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCCC1 1286741875 SFDBEHQSJFTZKF-GOTSBHOMSA-N 449.599 4.647 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@H]1C 1286743288 DGGZMIANXHWETJ-QAPCUYQASA-N 426.362 4.820 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCCc1c[nH]nc1C 1286748601 XHKDWLLROXLDEF-UHFFFAOYSA-N 434.519 4.843 30 10 IJEE C#C[C@](C)(CC)NC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1298085971 MFHTWNLETUCLIK-HHHXNRCGSA-N 430.548 4.566 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(C)(C)C)[C@H]1CCCc2c1cnn2C 1298125385 BNDZODRLHYCPMX-NRFANRHFSA-N 431.588 4.890 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCCC[C@@H]2Cc2ccccc2Cl)c1 1298612329 MEYRPOVATAEHIM-OAQYLSRUSA-N 443.996 4.765 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1300287124 UOEDPGFWKNAPMS-HUUCEWRRSA-N 430.339 4.572 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1300352607 NJFZGDBCFNAJCC-KDURUIRLSA-N 442.629 4.876 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](OCC=C)C1 1300394831 UAWRKOSSWQRNBD-MRXNPFEDSA-N 449.780 4.556 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 1300737395 PTDJSVPVPOYFEA-QVKFZJNVSA-N 434.508 4.630 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1300740744 CGVNXEBQNSHFCH-MRXNPFEDSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ncc(CC)s1 1300779345 AIVLEQXQEUMLLV-WAIKUNEKSA-N 439.560 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(O)(CC)CC 1300787576 LYJWEICUQJOYQE-VGOFRKELSA-N 430.980 4.615 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(N2CCCCC2)nc1 1301309153 OUCBWVSEFRGUTJ-UHFFFAOYSA-N 446.599 4.530 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1N1CCCCC1 1301380811 LFPHROQRIRYALW-UHFFFAOYSA-N 428.584 4.866 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[C@@H](C)C2)C1 1301566116 MQOWRSWDJDMCQR-LVCYWYKZSA-N 430.980 4.728 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301601929 KAKRKVBRUANMSZ-HZPDHXFCSA-N 436.984 4.520 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1305347261 AFDWNWJDGQVYAZ-YADARESESA-N 442.567 4.567 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1)c1ccccc1 1309324239 QGKPSPUWIQPBHH-KRWDZBQOSA-N 447.379 4.616 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2n[nH]c(-c3ccccc3OC)c2C)cc1 1310196680 UQMSTLGIBODDCG-UHFFFAOYSA-N 445.523 4.852 30 10 IJEE COC(=O)c1cnc(C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)s1 1310303015 DTHYNXJIRHMRSJ-AWEZNQCLSA-N 444.582 4.735 30 10 IJEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)CC(F)(F)F 1314847695 AZOYJAAHSTTXBP-LJQANCHMSA-N 448.537 4.573 30 10 IJEE CO[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccsc2)C1 1320816248 CFKGLIMFHACTKC-IPMKNSEASA-N 443.594 4.584 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1340067450 BQGRAMIUYDIQNT-HXUWFJFHSA-N 442.567 4.736 30 10 IJEE COc1cc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc(Cl)c1OC 1347312382 FPDGTMKSFNTQFZ-UHFFFAOYSA-N 441.940 4.957 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1 1353817963 MCCQPZHYZWMQHT-UHFFFAOYSA-N 440.883 4.577 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)c2)cc1 1357518735 HDOSYFSGIHYGMY-UHFFFAOYSA-N 445.494 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)CN1CCCCC1 1358877717 JRVTVQPGXRPTDG-AQNXPRMDSA-N 439.673 4.711 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cscn1 1358906736 RDXUMDJQHYZVTJ-UHFFFAOYSA-N 448.365 4.743 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1358953638 DDEGJBITKUFDCK-HZPDHXFCSA-N 438.519 4.942 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCc2cccnc21 1358972541 ISNIIQDCJSURNZ-QHCPKHFHSA-N 437.591 4.831 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@H](C)C1 1358982540 APFONZALFLAFSX-IRXDYDNUSA-N 431.367 4.673 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1359003839 ZJLUVRDZQOYHJU-FXAWDEMLSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](c1ccco1)N(C)C 1359014054 VPAKPRSEUZSUCJ-QFIPXVFZSA-N 449.599 4.510 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1[C@@H]1C[C@H]1CF 1359068196 RINKRPRVMPWTEU-XLNZFTOWSA-N 426.536 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1N(C)CCCC1(C)C 1359073239 IBUUYTUNALIDSR-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)[C@@H](C)C1 1359082267 DIFMGLMBWUNFST-OKILXGFUSA-N 428.334 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCOC(C)(C)C 1359096191 XWVWHTIWGSLDKB-OFNKIYASSA-N 449.599 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CC)CCC1 1359111808 NXLCRQSHDJYNLU-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 1359133574 VHGZDPKVSXTWKK-UHFFFAOYSA-N 425.621 4.696 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1nnc(C)s1)C1CC1 1359247110 SKLRUPBSSYVVFH-CQSZACIVSA-N 444.992 4.629 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C)C1)C(C)C 1359264629 KIFKIHWOJOODGT-IRLDBZIGSA-N 449.599 4.615 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1359277244 GJSNFAYGERUCLZ-KURKYZTESA-N 438.494 4.904 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1359344119 MNNKATPGLWDYHW-JOCHJYFZSA-N 435.037 4.837 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(Br)c(C(F)(F)F)cc1F 1360336918 AQKHXKXVEGMHOF-UHFFFAOYSA-N 430.195 4.549 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C2CC2)CC1 1360480721 GBZBCQPVWXDFJD-HNNXBMFYSA-N 444.377 4.548 30 10 IJEE C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccc(Cl)cc1 1360548888 HTTSMIIIPFMOBQ-GAJHUEQPSA-N 436.947 4.591 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2c(F)cccc2C(=O)OCc2ccccc2)c(OC)c1 1436268891 ACNJWFQKRDGGIF-UHFFFAOYSA-N 449.478 4.937 30 10 IJEE C#CCN(C(=O)c1cc(C)ccc1I)[C@H]1CCCc2ccccc21 1439629465 XIEGQVQGLNETFU-FQEVSTJZSA-N 429.301 4.753 30 10 IJEE C#C[C@H](NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1ccc(Cl)cc1F 1449317599 NBONVKOTBXFRTH-KDOFPFPSSA-N 445.922 4.697 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)CC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1F 1457810812 ROAXXAZKBOYLAI-XIKOKIGWSA-N 436.708 4.941 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)cc1C#N 1458787301 XAWKSJODSFSGIK-ZDUSSCGKSA-N 449.376 4.823 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F)C(=O)OC(C)(C)C 1464471437 XIAHSWZOGRHBQS-SFHVURJKSA-N 426.479 4.574 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1OC 1466290660 IHOHNTDGQGYAPH-JTPHSUOKSA-N 431.536 4.864 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C(C)C)C1(CO)CCCC1 1466816155 GTUGKZYPAVHGDI-SFHVURJKSA-N 425.367 4.713 30 10 IJEE COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Br)c(C#N)n2)cc1 1467111831 GMGNOOWODJHPJI-SFHVURJKSA-N 429.318 4.874 30 10 IJEE N#C[C@H]1CN(C(=O)NCC2(Sc3ccccc3)CCCC2)CCN1Cc1ccccc1 1468618704 CAVIVOGVJOEGQY-QFIPXVFZSA-N 434.609 4.511 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)CC(C)(C)O1 1494234491 BPKDWZCNTXRASA-OAHLLOKOSA-N 441.988 4.778 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(OC(C)(C)C)nc1 1507520226 YEOWYDWWCWCCFU-HXUWFJFHSA-N 443.595 4.827 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1C(F)(F)C12CCC2 1507642131 GXHQAXXZHWAIOU-PZJWPPBQSA-N 438.522 4.543 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)c1ccccn1 1507644592 KSIKZFBSEAUAGA-UHFFFAOYSA-N 438.362 4.698 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC=C(C(C)(C)C)CC1 1507781311 UGPHSLCGEZHZPD-UHFFFAOYSA-N 445.361 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1507803345 BCLQUMAHBWTGEO-LJGDZFJRSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507815468 BBYIATOUTYXITA-QKLQHJQFSA-N 430.515 4.626 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(OC)CC1 1507837005 GJCFBPXFGQFADI-NTKDMRAZSA-N 446.567 4.545 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1507845877 RVXOKXNDLORBCE-SFHVURJKSA-N 432.996 4.771 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507911624 NPXUDHNEKCBEGD-SFHVURJKSA-N 446.661 4.714 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507927568 YNMIQZFJYRPCGA-SIKLNZKXSA-N 444.023 4.502 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1507930254 UVDYGXOVSGKDCF-OZXSUGGESA-N 448.615 4.505 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(NC(C)C)CC1 1507930608 GQDBKYWWQVNSOW-UHFFFAOYSA-N 434.588 4.923 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](CC)c1ccccc1 1507987218 UMZLRVXYDCCOLL-SESVDKBCSA-N 439.604 4.865 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 1508159012 PMTPUTLGXSEAFF-GOSISDBHSA-N 430.618 4.898 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1508162341 NHNGBKKKLXIKGB-UHFFFAOYSA-N 432.609 4.711 30 10 IJEE C=CCSCCn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1508168326 OTJOKQBAWZWWIR-NRFANRHFSA-N 440.657 4.919 30 10 IJEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1509297277 HUNLHEFHDDFXDQ-NHCUHLMSSA-N 434.632 4.952 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1512139842 CRTRTDRUJFSDGL-AUSIDOKSSA-N 439.579 4.733 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1521115751 QIRKCXVYUDEALL-OAQYLSRUSA-N 444.620 4.796 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1cc(Cl)ccc1OC(F)(F)F 1526733600 FTHVLMLHKZMMIV-UHFFFAOYSA-N 449.610 4.890 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1528290452 DDFBATNMKCRLST-QHCPKHFHSA-N 448.588 4.819 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 1535455956 WWSIKUBNLICDNH-QFIPXVFZSA-N 442.519 4.656 30 10 IJEE C=CCOCCCC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1536405061 AARJNQFUIVGWGT-UHFFFAOYSA-N 439.253 4.879 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c([N+](=O)[O-])ccc(F)c1C 1536695101 RWKGINRUKUTPIG-UHFFFAOYSA-N 425.229 4.772 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)cc1 1538703981 GPOHQXXRIWLEDP-RCZVLFRGSA-N 435.545 4.504 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1nc(C)c(C)s1 1538974934 ZXNNGVNVPCHCAQ-INIZCTEOSA-N 430.581 4.576 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCc1ccccc1 1538985127 WMNMQRMNKBVIEE-OAHLLOKOSA-N 429.387 4.860 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1[C@@H]1C[C@H]1CCC 1539306232 USAYSMWRUPFIDX-NFBKMPQASA-N 428.536 4.941 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC12CCOCC2 1539306249 VLVYIHFTTOYLQD-QHCPKHFHSA-N 430.596 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1cccs1)N(C)C 1539546316 GNVOXHVQGJCHJP-WMZHIEFXSA-N 440.016 4.955 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1539615094 FQPZUUPYXNZLEK-GHTZIAJQSA-N 430.618 4.750 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H]1C 1540133238 HASUIQVAPJWHSW-CTNGQTDRSA-N 449.624 4.898 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1540158414 GPWIVAGJDXHGSJ-QGZVFWFLSA-N 430.512 4.879 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1541378649 FNMWEBYQCCXRQT-YADHBBJMSA-N 437.588 4.560 30 10 IJEE C=CCc1cc(C(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc(OC)c1OC 1544140313 HFXKBJMGCRMCEP-HSZRJFAPSA-N 449.469 4.583 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(C)ccc2n1-c1ccc(C)cc1 1544736440 GYPJAOLDQSCKQD-FQEVSTJZSA-N 446.551 4.888 30 10 IJEE C=CCn1c(SCCOC(=O)N(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1559321798 IPZJICZZWICQMM-UHFFFAOYSA-N 447.557 4.549 30 10 IJEE C=C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1)C(=O)OC 1559329067 XZCZJHDMQKKJLT-SFHVURJKSA-N 434.542 4.934 30 10 IJEE C=CCn1c(SC[C@@H](C)COCc2ccccc2)nnc1[C@H]1COc2ccccc2O1 1559333227 KGNBQEVKYRAMAJ-PGRDOPGGSA-N 437.565 4.922 30 10 IJEE Cc1c(S(=O)(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)sc2ccc(C#N)cc12 1561248839 CSTLCVRJNAGLOM-UHFFFAOYSA-N 442.406 4.587 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 1562441591 HTCVHALQERYAHI-DEOSSOPVSA-N 432.495 4.914 30 10 IJEE C[C@H](NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1nnc2ccccn12 1562989408 ARRNRDARGKMHHA-JTQLQIEISA-N 449.330 4.901 30 10 IJEE C#CCC1(NC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CCOCC1 1563486809 PNUIJDXGSSVBDF-HXUWFJFHSA-N 435.955 4.825 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1565727693 KWONLUGURFOXOB-HSZRJFAPSA-N 443.632 4.607 30 10 IJEE C[C@@H](NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1567480400 GVKFPQRYOGXKRA-NSYGIPOTSA-N 437.515 4.752 30 10 IJEE CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 1584202431 FJKJNTPDIZXKDX-UHFFFAOYSA-N 427.907 4.797 30 10 IJEE C[C@H]1[C@@H](C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)CCN1C(=O)OC(C)(C)C 1585624398 FVMYXNCRLMNRIX-VKJFTORMSA-N 439.478 4.592 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(COC)CCCCC1 1588109569 IBIKXTBEUYGQKH-UHFFFAOYSA-N 445.394 4.922 30 10 IJEE C#CCSCCn1c(N(C)CCc2cccs2)nnc1C1(c2ccccc2)CCC1 1589126066 WOKPYCPMXQVHCF-UHFFFAOYSA-N 436.650 4.855 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C)(C)CC1 1589503400 CKBYZQCAPGDKAX-XMSQKQJNSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1593741771 XCGUJXPNIQVNRB-QHCPKHFHSA-N 438.616 4.979 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1593844716 FZHTWZUQZXJIPH-UHFFFAOYSA-N 448.379 4.907 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1594491791 KWHINUHUYJKZHI-XZOQPEGZSA-N 437.632 4.833 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnc(C)s1)c1ccccc1 1594544025 GZJSZLJDUGTZPY-RTWAWAEBSA-N 437.613 4.933 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(O)(C(F)(F)F)CC1 1594590912 FKDSRUCCFJYOCB-UHFFFAOYSA-N 445.489 4.743 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C#N)o1 1594858503 ZXDAUZBVFQNDCZ-INIZCTEOSA-N 425.920 4.824 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1csc(Br)c1 1595334733 FGJZEMREMDTDEQ-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE C=CCCC[C@@H](C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1)c1ccccc1 1598197752 LQJNHRBQNFOVIL-BAGYTPMASA-N 427.491 4.820 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1nc2c(s1)C[C@H](C)CC2 1607672786 BSKAACSVXVJMHO-CZUORRHYSA-N 442.025 4.652 30 10 IJEE Cc1csc([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)n1 1612358344 GMAKAGDPSUEVTA-OAHLLOKOSA-N 441.004 4.831 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Cc3csc(-c4ccc(OC)c(OC)c4)n3)cc21 1615748985 MNOJBUATEGZGSX-UHFFFAOYSA-N 434.521 4.544 30 10 IJEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCc1ccc(Cl)s1 1619413211 ICGQNXRNQDLFQH-UHFFFAOYSA-N 441.988 4.575 30 10 IJEE N#CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1 1623989112 DHJAXSYPMPOHTD-LJQANCHMSA-N 429.904 4.512 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 1626713203 HFNNDSKHUNWIHM-UHFFFAOYSA-N 434.496 4.894 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C 1630925419 KGBRVMRFBOHIFW-YNJKOYDBSA-N 446.591 4.898 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2NC(C)C)cc(OC)c1OC 1632770913 KANOMVWOCIECIE-UHFFFAOYSA-N 426.513 4.682 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2Cl)c1C(C)C 1634591450 APPNWQPFPITYGU-QGZVFWFLSA-N 444.963 4.894 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@]1(C)CCCO1 1635633613 WGAQJJUGAXUXOA-IGKIAQTJSA-N 448.563 4.545 30 10 IJEE Cc1c(C(=O)NC2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)sc2ccc(C#N)cc12 1637781991 AZXQRPRETPENRO-UHFFFAOYSA-N 425.554 4.647 30 10 IJEE C=CCCC[C@@H](NC(=O)N(Cc1cncs1)C1CCN(C(C)=O)CC1)c1ccccc1 1638029847 QPKMNGIHXJVIEM-HSZRJFAPSA-N 440.613 4.763 30 10 IJEE C=CCC[C@H](NC(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1)c1ccc(C(F)(F)F)cc1 1638506160 ALWZFORYYMSKCC-GBESFXJTSA-N 427.463 4.530 30 10 IJEE C=CCONC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CCC2 1640821330 NINWYFIXWRNONH-OBGWFSINSA-N 430.504 4.976 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCCCCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643337920 HPTXFFIIUNPWCD-CABCVRRESA-N 433.643 4.556 30 10 IJEE C[C@H](CC#N)NCC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 1646522690 DQTSIOBFBKYTGR-MRXNPFEDSA-N 437.609 4.986 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3 1651729991 BSBIUELLNFIULN-ACJLOTCBSA-N 430.570 4.740 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)CCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652348947 HLLDGZVKRKTAHT-RBSFLKMASA-N 433.643 4.554 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 1652458923 UOBKGLLCRMIXQV-SFHVURJKSA-N 444.553 4.668 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)Cc2nnnn2-c2ccccc2Br)c1 1652883211 HVRXRACJUKOCTK-UHFFFAOYSA-N 444.336 4.613 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)c(Cl)c1 1653072566 FDRFIJALDWNJOK-UHFFFAOYSA-N 446.862 4.653 30 10 IJEE C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(C)C 1654983548 TUXCTZORKHAJPN-INIZCTEOSA-N 425.809 4.624 30 10 IJEE C#C[C@H](N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccc(Br)cc1 1659305107 TZPVMGIOKHIGKJ-BWPNAZKDSA-N 433.390 4.749 30 10 IJEE Cn1cc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(-c2ccc(C#N)cc2)n1 1660233502 CJDPHNXFHKUMQU-UHFFFAOYSA-N 426.351 4.588 30 10 IJEE COc1ccc2c(c1)OC[C@H](NC(=O)Nc1ccc(Sc3ccccc3C#N)cc1)C2 1661859982 CGPXRHDSRROKBD-LJQANCHMSA-N 431.517 4.843 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)CCCC1(C)C 1665569504 AIGXMJPDUPTVEB-OAQYLSRUSA-N 433.618 4.850 30 10 IJEE CC(C)c1ccc(C[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)cc1 1668442670 HFWMGTUZQVHBCJ-KRWDZBQOSA-N 436.499 4.954 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1679189931 HXILJGTZAKDYQN-FGZHOGPDSA-N 439.600 4.868 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@]1(O)C[C@@H](OCC)C1(C)C)c1ccc(C(F)(F)F)cc1 1679304292 GYESQRKQKLSVBC-WAOWUJCRSA-N 428.495 4.578 30 10 IJEE C#CCCCNC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1682120082 SEDLGTDSIQUQTK-UHFFFAOYSA-N 430.379 4.823 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1 1682356949 PLWASOPKDCPLCX-YLJYHZDGSA-N 442.313 4.621 30 10 IJEE CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H](c1ccccc1)c1ncc[nH]1 1684790025 HWJIHWUHWPYQJN-QFIPXVFZSA-N 427.533 4.941 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCOC1CCCCCC1 1689843282 SDEKMQMUEKMXAP-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[C@H](OCC)C1CCCC1 1689861028 MSLUGYKABVODBX-RDPSFJRHSA-N 433.600 4.724 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COCc2ccccc2)C1 1689881710 ZZGKWNBZPUOIAQ-NRFANRHFSA-N 449.986 4.840 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1689949808 SELSLLCHWUZDAR-GJZGRUSLSA-N 428.405 4.910 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1CCCCO1 1690062097 CKVTVWYPYNQPGX-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1690469164 GFQSCXXEDUXVSI-IAGOWNOFSA-N 438.498 4.543 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CC1(C)CCOCC1 1690561511 SPTGARJZPLDMPP-UHFFFAOYSA-N 433.600 4.892 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1cccc(F)c1F 1690577031 AHZWULFTWLZHNM-KRWDZBQOSA-N 430.524 4.557 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2ccccc21)C(C)C 1690581687 WTVXQYWFPLEQEE-DEOSSOPVSA-N 428.584 4.733 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccnc1 1690613404 GJNAWDXYFFZUGX-UHFFFAOYSA-N 437.613 4.552 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CCCS2)c1C 1692898455 BQWSWONJIUJRRJ-LEOXJPRUSA-N 443.592 4.763 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1noc2c1CCCC2 1705485885 RLBNLLALQIJXNZ-LJQANCHMSA-N 447.583 4.743 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1705577907 YCAPGIGENLDMJW-KCWPFWIISA-N 430.596 4.521 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCC1(F)F 1705588338 CKCLYSZVBWLZTO-MOPGFXCFSA-N 444.501 4.846 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC[C@H](F)C1 1705588717 IZGZMQYRLDLNGX-BJLQDIEVSA-N 428.939 4.673 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1 1705591104 FZGBQXPLURKHFN-HXUWFJFHSA-N 428.605 4.951 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCS[C@H](CC)C1 1705697178 SSVJNIQCCIQUFQ-BDTNDASRSA-N 426.630 4.821 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](CCOC)C1 1705732460 ZWEZNADZTKGRBV-OALUTQOASA-N 444.645 4.587 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1705733018 LZCMXVGMBKTMOC-QHCPKHFHSA-N 433.556 4.673 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2cccc(C)c2)CC1 1705776466 HEOUPNDTZQYUCM-LVXARBLLSA-N 438.616 4.833 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705827327 AVJVWIHZXIXPPS-GOSISDBHSA-N 445.489 4.865 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnn(CC)c1 1705833968 ATYMBBBCXVJRIV-KRWDZBQOSA-N 428.968 4.575 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1c(F)cccc1F)C1CC1 1705852222 XELXVCGYLFHVOY-UHFFFAOYSA-N 448.315 4.711 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)CN1CCCC1 1708648961 HEAVEIMESXUEON-ZJSXRUAMSA-N 434.632 4.682 30 10 IJEE CCCc1nc(C)c(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCC(C#N)CC2)o1 1709539299 FYRAZGUVEWCXCH-NRFANRHFSA-N 432.572 4.857 30 10 IJEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@@H](F)c1ccc(Br)cc1 1722385164 BVCXSRXFSTXABQ-HXUWFJFHSA-N 443.364 4.557 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccc(F)cc1 1722502358 IJKDMFXLFJHYHM-GBXCKJPGSA-N 442.579 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)C1CCCCC1 1722503564 VWBRPJYQSSVFGZ-HSZRJFAPSA-N 427.549 4.587 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1CSC)c1ccccc1 1722598134 ZSNGTMQDYNTPDS-JTHBVZDNSA-N 433.625 4.956 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@@H](c1cccs1)N1CCCC1 1722655046 CEYLFDINONMVIR-QFIPXVFZSA-N 432.597 4.549 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@H](SC)C(C)(C)C 1722674253 AWNSPPLZQDYUAN-FQEVSTJZSA-N 427.618 4.889 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1740581051 OCLHJJZGDUPUDP-WMQCIHAUSA-N 428.552 4.610 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ncccc1C 1740647111 OIJVWJGYMHQNFK-UHFFFAOYSA-N 448.574 4.567 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccco1 1740679690 GYHGSZBTRYKLQZ-UHFFFAOYSA-N 426.929 4.541 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740783412 FIKALBBRXOAECM-OAQYLSRUSA-N 435.547 4.611 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@H](C)C1CCC1 1740787495 DLKROWHNQGFXBJ-OAHLLOKOSA-N 436.398 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)N[C@H](C)CC)CC1 1740820343 ZNHYGGDJSOCNGM-GOSISDBHSA-N 441.645 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740844420 IXYKAEYNKFRDHI-UHFFFAOYSA-N 448.615 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740849380 HVDUIYXNAJZWSI-QFIPXVFZSA-N 435.547 4.583 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)C1CCCCC1)c1ccccc1 1740853366 BSYPIVFSEHWPEG-PMOQBDJRSA-N 435.616 4.994 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H]1CC)c1ccccc1 1740855671 KSTDHMHZELBKOI-AZKGINQHSA-N 438.616 4.987 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)C)CC1 1740884361 YOGMHYFTHGXXBE-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCNC(=O)C(C)(C)C 1740921690 FCMOSQLOTUCIRX-UHFFFAOYSA-N 437.613 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1cc(F)ccc1OC 1740923260 HWBMASXZKFQOMR-KRWDZBQOSA-N 442.560 4.622 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2ccccc2[C@H]1C)C(C)C 1740926614 IIXZRZDGDIAUEB-NQHRYMMQSA-N 449.643 4.952 30 10 IJEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2cccs2)o1 1744450399 CUEVFJWNMRSEEP-INIZCTEOSA-N 432.553 4.983 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1744783009 FKZATVAENYDTSQ-VGOFRKELSA-N 448.571 4.793 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1c(C)noc1C 1748687611 NJEZIJXHFIGPFS-CQSZACIVSA-N 429.977 4.529 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1748703384 ZOKNPVDINFORCY-QGZVFWFLSA-N 440.954 4.659 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 1748718104 NZJMSNLPCSTIDD-OAQYLSRUSA-N 433.600 4.528 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1CSC 1748758981 BETBNHIKXYBREZ-FQEVSTJZSA-N 426.630 4.900 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)c1cccs1 1749046942 LDBIODLOEJYIHM-INIZCTEOSA-N 430.574 4.622 30 10 IJEE C=C(Br)Cn1c(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nnc1C(C)(C)C 1749113129 VNCGPWTXECYGPM-RHSMWYFYSA-N 437.357 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H]1C 1749126052 ZUICORXMRPSCND-XQFWAAQXSA-N 440.588 4.711 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC=C(C(C)(C)C)CC1 1749231514 TWSCFCQKXJZLSW-UHFFFAOYSA-N 430.543 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1749369166 XMCLYIMWCHAPJB-UHFFFAOYSA-N 441.620 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749370655 NWHAGSWGVAYMTN-NRFANRHFSA-N 432.616 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749373304 LDYWHQFMEJGIMH-FQEVSTJZSA-N 445.652 4.916 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1749409412 VZYFVVVEKARHAP-QGZVFWFLSA-N 433.622 4.503 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CCc2cccs2)CC1 1749419447 GZIJOAIHAISNEG-UHFFFAOYSA-N 442.032 4.991 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](CC(C)C)C1 1749755550 JITQVUPATDSLLT-NQIIRXRSSA-N 428.602 4.582 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)[C@@H](C)CC 1760099785 LRNWIXHBUUERDL-VQTJNVASSA-N 432.616 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1760101499 QNRLGVUYPAXRMD-HQRMLTQVSA-N 445.405 4.617 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccccc21 1760162298 QDPDUNFPXWHEIB-FQEVSTJZSA-N 435.572 4.500 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nc(C(C)C)cs1 1760173394 UAXBIDMHMKIDBO-UHFFFAOYSA-N 425.627 4.973 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](SC)C(C)(C)C 1760240999 LIOUACAKNQCGCQ-HXUWFJFHSA-N 425.577 4.830 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760277627 BFNWIMBBJKGKIQ-JOCHJYFZSA-N 433.021 4.606 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760380577 HUSGHGYVRDARQL-KZNAEPCWSA-N 425.017 4.733 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(F)cn2)CC1 1760382501 RJPAEMPSCZUHJA-SFHVURJKSA-N 437.519 4.556 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1760424809 VHBSEXMHMBNZLM-OAQYLSRUSA-N 437.632 4.987 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1760425300 JABIHKGLXDCXKH-UHFFFAOYSA-N 428.650 4.633 30 10 IJEE C=CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1760433327 RPTICXKBQKNYHR-ZWKOTPCHSA-N 446.979 4.654 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760435390 ICPKNMQFWYSLAP-UHFFFAOYSA-N 429.540 4.544 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCCC1(C)C 1760446409 QPANCMMBWSRYOB-UHFFFAOYSA-N 425.396 4.741 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CC1CCN(C(=O)OC)CC1 1760480824 GLEOPEJAGUVEKV-UHFFFAOYSA-N 437.588 4.607 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](SC)C(C)(C)C 1760495640 TUKKBCNYNRODBE-PMACEKPBSA-N 428.602 4.747 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1760563486 SXSOEGVHJMFUAH-UHFFFAOYSA-N 435.519 4.905 30 10 IJEE Cc1ccsc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1 1761629035 CQOHOYXGXBOYGG-WZONZLPQSA-N 439.560 4.895 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1 1761642996 FPGZYKPQLCTLNA-QHCPKHFHSA-N 440.979 4.666 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 1762706001 AHAIOLSKSIEABA-OHUGHZGNSA-N 426.653 4.822 30 10 IJEE CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N 1764292559 CSQFORGVGMYPSR-MRXNPFEDSA-N 438.601 4.524 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(=O)OC)cc1 1862382273 HLTVNVOUFCCKJF-SFHVURJKSA-N 448.302 4.768 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(F)c2)cc1C 1862401647 GATRWYNFHKEBCA-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862473670 DUYJSWGTXATPTE-DEOSSOPVSA-N 427.500 4.830 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOC(C)C)c1 1862479645 MJUHLHFPHRAAMS-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862531888 STOIVIIBSAOFCL-OAQYLSRUSA-N 444.934 4.572 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(F)cc1F 1862572631 JZBWIOWBZKUXPS-OAQYLSRUSA-N 445.462 4.751 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1 1862620412 RGZRILFPXDOKKT-NRFANRHFSA-N 435.520 4.757 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862672587 DQBBXUCLAPKLCQ-QFIPXVFZSA-N 437.417 4.925 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862678970 TXECOUBXDFMITE-HSZRJFAPSA-N 448.469 4.809 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862697022 ZJXOVJKXFQTKIL-HXOBKFHXSA-N 436.552 4.918 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 1862738749 ITQQKXBSCGOETO-QFIPXVFZSA-N 445.475 4.987 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(CCCc3ccccc3)C2=O)cc1 1863315286 HSVNYYHEQAGDPJ-UHFFFAOYSA-N 443.453 4.661 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C(F)(F)F)ccc2Cl)=C(c2ccccc2OC)C1=O 1863436833 QDBWXLSHIGSIMM-UHFFFAOYSA-N 436.817 4.745 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCc2ccccc2)C1=O 1863585570 HRHAYDQXUPOHRX-UHFFFAOYSA-N 449.551 4.868 30 10 IJEE C=CCN(CC=C)c1cc(N(CCOC)CCOC)nc(-c2ccc(C(C)(C)C)cc2)n1 1867998074 PWEZONJFFVIEMO-UHFFFAOYSA-N 438.616 4.719 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870159511 OKEUZXVEORZRGT-LSDHHAIUSA-N 431.805 4.553 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CSc1ccc(C)cc1 1870214146 GQSAZHPGJQXUOB-UHFFFAOYSA-N 438.524 4.792 30 10 IJEE CCCCCCCCn1cc(OC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870555270 XIUFHKFIPMQZMH-UHFFFAOYSA-N 429.580 4.679 30 10 IJEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870809649 OBDVGYRLXNJMQE-UHFFFAOYSA-N 433.508 4.956 30 10 IJEE C=CCn1nc(C(=O)Nc2cccc(Cl)c2Cl)c(I)c1C 1871324411 VYIWROHCEJWXFW-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE CCCCN1COc2ccc3c(c2C1)O/C(=C\c1cc(Cl)cc2c1OCOC2)C3=O 1871346489 JFQOFKYAVVUKEA-UKWGHVSLSA-N 427.884 4.775 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871495595 YVAIIGFQFDBMJK-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN=c1nc(Nc2ccc(OC(F)(F)F)cc2)[nH]c(N(CCCC)CCCC)n1 1871573790 POPGQMWKHMWZFX-UHFFFAOYSA-N 438.498 4.940 30 10 IJEE N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777670 SLKFJXXLEGDVLD-PKOBYXMFSA-N 440.528 4.516 30 10 IJEE N#Cc1ccccc1NC1=C(c2c(Cl)cccc2Cl)C(=O)N(Cc2ccco2)C1=O 1873285079 LOJKUTODPZJWOB-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE N#Cc1ccc(Nc2[nH]c(=NCCCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 1873478712 RKFUDDQFUIZVSC-UHFFFAOYSA-N 445.530 4.897 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OC)cc1)n2Cc1ccco1 1873661723 CERFAWUCXQRJJE-UHFFFAOYSA-N 443.507 4.512 30 10 IJEE CCCCCCCCNC(=O)CCC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc2[nH]ccc12 1873891721 KPLSFGOSRRRYQB-AREMUKBSSA-N 449.599 4.622 30 10 IJEE Cc1ccsc1/C=N/n1c(CCCOc2c(C)cccc2C)nnc1SCCCO 1874228204 XVCYTJPYDYTZHJ-HZHRSRAPSA-N 444.626 4.633 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1 1874306137 HVRGCYSQMZILGC-WGOQTCKBSA-N 431.565 4.883 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc[nH]1)Nc1ccccc1 1874365317 WMEHDMMCLJWRSH-ZMOGYAJESA-N 436.928 4.540 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)cc1O 1874450178 VMZZWIDJKYASOG-PWYGXMRTSA-N 446.532 4.869 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)cc1 1874490659 COAFCJIOTKUQFQ-OEAKJJBVSA-N 436.025 4.753 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccccc2Cl)o1 1874496148 XDCFZRMTAKVMGL-SSDVNMTOSA-N 430.917 4.753 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1 1874497084 SZNARCNXVIFZKF-OEAKJJBVSA-N 434.009 4.822 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1 1874575950 OSMBNVOAQDFLRV-LFIBNONCSA-N 431.488 4.926 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 1875088280 RYELHMRUDKTCRK-CSKARUKUSA-N 448.387 4.627 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)c(Br)c1 1875118826 QRXQRXOXTKTSJV-PKNBQFBNSA-N 438.277 4.968 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C(F)(F)F 1875151106 VDOJMALPUPTPMH-HWKANZROSA-N 442.773 4.831 30 10 IJEE BrC#CCCSc1cc(I)ccc1Br 1887828464 WADDGXKFIDPXEQ-UHFFFAOYSA-N 445.945 4.892 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 1903084819 TYBSGFMNOOUDHP-KUHUBIRLSA-N 435.487 4.856 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(I)ccc1Cl 1905044128 KIVMUGIFTNDYAN-CQSZACIVSA-N 449.716 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)c1cc(Br)ccc1F 1922075476 XDUKJMHLOAKSAV-FGZHOGPDSA-N 436.365 4.937 30 10 IJEE C#C[C@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 1925426559 MAFAOOARIPTVCN-JTHBVZDNSA-N 427.633 4.574 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037914166 IZLBAEFGNGCQJQ-AREMUKBSSA-N 440.632 4.656 30 10 IJEE Cc1cc(C=C2SC(=Nc3ccccc3)NC2=O)c(C)n1C[C@H]1COc2ccccc2O1 2040446938 MEHNGDPUHLZVNS-FQEVSTJZSA-N 445.544 4.837 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2047975478 DWSPVIASOPOWED-JKSUJKDBSA-N 429.786 4.540 30 10 IJEE CCNC(=O)c1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079207171 CLGBLPOSCPOCPJ-UHFFFAOYSA-N 448.136 4.561 30 10 IJEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](CC)c2ccc(C(F)(F)F)cc2F)c1N 2079959513 WJXLPZVMAUCHSG-NSHDSACASA-N 427.320 4.818 30 10 IJEE CCOc1ccc([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080096310 UIBPLSAIHBGNPZ-SFHVURJKSA-N 433.293 4.635 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2cc(F)ccc2C(F)(F)F)c1I 2080676905 KQUNWDTXDIUKKN-UHFFFAOYSA-N 438.084 4.868 30 10 IJEE N#Cc1ccccc1S(=O)(=O)OCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 2087918896 RQVYBKRLRRWVBA-UHFFFAOYSA-N 444.871 4.509 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3ccc(C#N)c(Br)c3F)C[C@]2(C)C1 2172912364 KBLKHSYAUHISBH-PJSUUKDQSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CN(c3ccc(C#N)c(Br)c3F)CC[C@H]21 2174809207 XKHNHZLUSZMPKB-LSDHHAIUSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCN2c2cc(Br)c(C#N)cc2F)CC1 2174811837 CYPANSYSFIGBLS-UHFFFAOYSA-N 438.341 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@@H](CC(F)F)C1 2183420606 OVKDUITZEWABMK-LBPRGKRZSA-N 448.283 4.541 30 10 IJEE Cc1cnc(OCc2cccc(NC(=O)OC(C)(C)C)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2232308864 BKIYAVLXUSQYRO-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2235723359 FCLHOLWFYQXHKQ-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2235729181 MQKMJRRNCDLGMR-XKGZKEIXSA-N 435.406 4.672 30 10 IJEE COc1ccc(C#C[C@@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2237737582 FYSSUDCLPVWKEK-GOSISDBHSA-N 431.330 4.856 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2261829247 OXTDZJGIKWXIAJ-CPJSRVTESA-N 447.572 4.704 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2296221325 HRGCXCKEHGUAGM-RTBURBONSA-N 433.390 4.568 30 10 IJEE CCC[C@@]1([C@@H](O)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296224337 IZLQZFQIIDJKAJ-SIKLNZKXSA-N 436.390 4.979 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)o1 2296247637 QYGZBAFKMPSCNQ-BXKMTCNYSA-N 443.499 4.576 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@]12C[C@H](CN1C(=O)OC(C)(C)C)C2 2296305650 WTTLNJHWLGTJJB-LQBOVUBWSA-N 433.390 4.568 30 10 IJEE COc1cc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)ccc1O 2296923833 BBBBPCXWSLZGFE-RUZDIDTESA-N 441.483 4.892 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@]1(C)CC 2315240229 AIQUTULKTUOAFA-HDYLNDSGSA-N 446.632 4.668 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317336667 YPFIFSHPZGZSPP-QJPGBWLHSA-N 430.354 4.551 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1cccc(O)c1 2321358916 PYAFAXPTPGGQSO-UHFFFAOYSA-N 437.352 4.906 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)c1 2322052036 MVANDMNWGKTZMD-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCCn3ccnc3)CO4)C2=O)cc1 2322106853 GPBCZLJGNCDMNB-UHFFFAOYSA-N 429.520 4.865 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2Cl)cc1 2322286553 ITBZTSDTCTVQQI-UHFFFAOYSA-N 437.352 4.776 30 10 IJEE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323060146 WIWCJPGSIJUECC-UHFFFAOYSA-N 426.424 4.959 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2C1=O 2323310024 AHGZIVAKLWKLLK-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1Br 2323544003 FKKHRAGDGGJUET-UHFFFAOYSA-N 449.349 4.730 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325565411 XKSSAWKVBIZHRW-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O 2325743132 ORUNHADUVHYGSI-UHFFFAOYSA-N 444.325 4.621 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(F)cc1F 2325943210 FMODFKCSSLJBSV-UHFFFAOYSA-N 437.313 4.904 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(OC(C)C)cc1 2326752537 VCIGWUWQQFHZHP-UHFFFAOYSA-N 438.553 4.589 30 10 IJEE CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cn(C)c2ccccc12 2327454893 QFPKIUVECSJOKO-UHFFFAOYSA-N 427.480 4.621 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)cc1 2330910498 NAFCFRLDUQGXFT-HXUWFJFHSA-N 425.533 4.509 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccco1 2331016247 AIYCEAVJACLIGB-UHFFFAOYSA-N 427.796 4.965 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(CCOC)nnc2SCc2ccc(F)cc2)cc1 2331246105 CWRJKEABMDDGFF-UHFFFAOYSA-N 441.576 4.627 30 10 IJEE CCCSc1nnc(C2CCC2)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331534443 IAJAVMZGDAASRH-UHFFFAOYSA-N 439.379 4.797 30 10 IJEE N#Cc1nc(-c2ccc(Br)o2)oc1NN=Cc1ccc(Br)cc1 2331936463 GJRVRTDKYFJMKQ-UHFFFAOYSA-N 436.063 4.777 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579142 RKTXMJJLNJEZCS-RTBURBONSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339598940 JTYKXNPABJNATI-MKUQEPGRSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)c(COc2cc(Br)cnc2C#N)cc1F 2368828138 VFPYJOMPZSKQQN-UHFFFAOYSA-N 440.244 4.920 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCCCC)cc2)cc1 14029420 WDJPJLDUTXYEBZ-UHFFFAOYSA-N 442.581 4.871 30 10 IJEE CCCN/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc2c(c1)CCCC2 22804017 BSKGPCUPOYDKQG-UHFFFAOYSA-O 432.407 4.554 30 10 IJEE O=S(=O)(c1ccc(-c2csc(N/N=C/c3cccs3)n2)cc1)N1CCCCCC1 33790389 NZVSHHPXKYKLFR-KGENOOAVSA-N 446.623 4.882 30 10 IJEE Brc1cc(/C=N/c2ccc(I)cc2)oc1N1CCCC1 59303445 OJBUGTNZWGZVQT-VCHYOVAHSA-N 445.098 4.998 30 10 IJEE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)/C1=N/Nc1ccccc1Cl 100149549 SNNZHRJNUJGDGJ-HAVVHWLPSA-N 440.872 4.562 30 10 IJEE O=C1SC(c2ccccc2)=C/C1=C/NCCN/C=C1/C=C(c2ccccc2)SC1=O 100499462 FGHLAHKYCWIRQI-IKBKFCNISA-N 432.570 4.562 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc(Cl)c1OC 169934837 OAJSMQCTUVPKJA-LJQANCHMSA-N 430.957 4.765 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 169953952 BZFZUJPWJBGYDW-NRFANRHFSA-N 447.560 4.917 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 169985885 GQQDKBGSZAENPB-IBGZPJMESA-N 439.876 4.913 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccccn2)cc1 169994867 PDTAWVVOYBQWTN-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)c1 169996483 LCCDVYFFIJKUIL-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2sccc2C)cc1 170108112 FHERKGASCBELJY-FQEVSTJZSA-N 437.492 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)c(OC)c1 170133041 SNPZUGSSVUGWCH-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)cc1 170144330 IDZZLPPNLFBHPZ-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCO2 170173673 RACRQOXUYHGWSF-JOCHJYFZSA-N 446.890 4.843 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(O)c(Cl)c1 170220308 VIRLTXBPGNEOCS-FQEVSTJZSA-N 429.900 4.659 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)cc1 170235656 LDMZPNCOKAXLEJ-QFIPXVFZSA-N 439.939 4.834 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)c(C)c1 170237243 VAAUXZICHJRHDE-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)c1 170249325 DAYAMTOIWWQULI-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 170256815 FHFDEMCOYFQBKF-IBGZPJMESA-N 425.893 4.886 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170258008 LRSIIVBPARFUMJ-JOCHJYFZSA-N 428.419 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)cc1OC 170270792 MFFFISXBLDTAMZ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C)o2)cc1 170300604 QVALTFJKPOKOIT-QHCPKHFHSA-N 445.471 4.705 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC)c1 170323940 IBYDECNIXCVLOS-XMMPIXPASA-N 443.499 4.629 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC(C)C)cc2)c1 170346751 QFALLLMLNIIXJX-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 170425140 UARQNFNKWWGZTA-FQEVSTJZSA-N 432.501 4.952 30 10 IJEE CN(N=Cc1c[nH]c2ccccc12)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl 254632766 NKQCPSVTSXJNLY-UHFFFAOYSA-N 430.270 4.630 30 10 IJEE aggregator C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 406877807 YYCKBAFARGWINT-ROUUACIJSA-N 429.374 4.968 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2ccc(OC)cc2C1 460767209 BPAAJHDJOSAYRA-ZEQRLZLVSA-N 430.552 4.671 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3COc4ccccc4C3)s2)c(C(F)(F)F)c1 487288013 FVEDHEJBWNPWLS-MRXNPFEDSA-N 443.450 4.814 30 10 IJEE C[C@@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 495682270 HDLIYANPAULVQV-CYBMUJFWSA-N 436.562 4.861 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(Oc2ccc(F)cc2)CC1 508480993 MIGAHOVLMBHCNF-UHFFFAOYSA-N 431.515 4.723 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 508831693 GDFDZCHACBNMIB-LRAJWGHMSA-N 437.371 4.601 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1 520142306 GTJHBJQZNRWNLD-FQEVSTJZSA-N 436.556 4.867 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2coc3ccc(F)cc3c2=O)cc1 526488778 MYQRUOMRDYVZCO-OAQYLSRUSA-N 444.443 4.922 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)cc2)ccc1OC 526604832 QQHORSMNGGGBOK-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OCC)c([N+](=O)[O-])c1 526803323 VDIUNSSMYDLYDP-QRVIBDJDSA-N 443.504 4.851 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2cc(C)cc(C)c2)cc1OC 526810032 URZOGYUJFLTFRY-CFRMEGHHSA-N 440.569 4.794 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(O)cc1 526831306 MSAXSSZDEQTHAS-QRVIBDJDSA-N 442.541 4.659 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)Cc3ccc(C(C)(C)C)cc3)c2C#N)C1 526857335 AZMCVPOPXSPWNL-HOLBHBGLSA-N 428.623 4.929 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(C2CCCCC2)CC1 549285925 RFBKYQYIJRRJBY-ZEQRLZLVSA-N 435.616 4.554 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](c4ccc(F)cc4)C3)n2Cc2ccccc2)c1 549529371 PUOMCKTUJFYRCR-XMMPIXPASA-N 439.494 4.582 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC 569617907 VARHYBCGCRFNHN-UHFFFAOYSA-N 436.961 4.960 30 10 IJEE Cc1ccc(C(=O)NC2CCC(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 586505947 BEGCYPZEOFWXAR-UHFFFAOYSA-N 442.364 4.748 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(C(F)(F)F)nn(CC)c1C(F)F 610893130 ZMMKGQSRWCRMMD-UHFFFAOYSA-N 432.349 4.596 30 10 IJEE C=CCC1(C(=O)Cc2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722949561 GIXHXKAEMBYGBW-UHFFFAOYSA-N 430.289 4.652 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 733196822 JEUDXQBPRGHHFX-IBGZPJMESA-N 443.931 4.771 30 10 IJEE CC1(C)C/C(=C\c2ccc(-n3cncn3)cc2)C(=O)/C(=C/c2ccc(-n3cncn3)cc2)C1 736434889 YQYQBRHFGZIZSW-XHQRYOPUSA-N 436.519 4.704 30 10 IJEE C[C@]1(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCCN1C(=O)c1ccccc1 739594838 RTLBBODQJXCGFR-RUZDIDTESA-N 429.545 4.598 30 10 IJEE CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc1 744033608 WJSOUIQHQBOLJG-QIXNEVBVSA-N 444.409 4.633 30 10 IJEE COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1F 755603483 UCVAPATVVQAJJJ-ONOODXEBSA-N 434.439 4.900 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 779618461 DCSKBDFKDUMMGR-SFHVURJKSA-N 449.942 4.597 30 10 IJEE Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 797977338 MJAZIODZIYNDPW-NRFANRHFSA-N 428.410 4.855 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](C(C)(C)C)CC1 812180460 XMGBHSBMLWOLLN-OAQYLSRUSA-N 439.604 4.933 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)C2CCN(CC(F)(F)F)CC2)c1 916876410 CZFBDLMLXZKRAA-UHFFFAOYSA-N 447.453 4.662 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)CCN2C(=O)CCc3cc(F)ccc32)c1 1125713454 MVMYTGJTRUKYQZ-UHFFFAOYSA-N 432.520 4.771 30 10 IJEE C=CCC[C@@H](NC(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1ccc(C(F)(F)F)cc1 1127409917 DNSCSLBMEBKMMJ-HXUWFJFHSA-N 441.453 4.997 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)c1ccc(I)cc1)c1ccc(Cl)cc1F 1129738832 MBNDOEMBOOKAGC-DIFFPNOSSA-N 441.671 4.678 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)ccc2c1=O 1141732280 PTFGKXFZLSAVRE-LJQANCHMSA-N 425.529 4.528 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)C1 1146474849 JFGUWXQTEAEOKV-LJQANCHMSA-N 431.536 4.985 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)cc2)cc1 1163652584 UZRSPJGGJFPVOP-XMMPIXPASA-N 439.515 4.904 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)C1 1177388780 CBMNDEGSUPBUNU-DFBJGRDBSA-N 445.563 4.702 30 10 IJEE COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2c2ncc(Cl)c(C)c2C#N)c1 1187470098 FTIWJCADKMYYGG-HXUWFJFHSA-N 442.947 4.722 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Br)c(F)cc2OC)cc1 1219181272 JZSHWROHJCUKCY-UHFFFAOYSA-N 437.269 4.548 30 10 IJEE C#CCC1(NC(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CCC1 1222095560 MQCVAIGJXPHRGM-UHFFFAOYSA-N 431.851 4.925 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1 1264264192 AUJCYXHMOCFQOA-UHFFFAOYSA-N 433.356 4.824 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1)c1ccccc1 1265140668 WSWPZBRZKDVGSD-UPVQGACJSA-N 434.580 4.573 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCN1CCC 1286279400 LSWHAVLQHXQYRC-QUCCMNQESA-N 425.646 4.608 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1sccc1C 1286520245 CJPPRRTVNWFFMD-XMMPIXPASA-N 436.581 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(Cl)s1 1286570476 ZSMVVWLQGOATGM-OAQYLSRUSA-N 439.025 4.679 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](CC)O[C@H](C)C1 1286602929 FQYSLFMCFOMYEZ-NSHGMRRFSA-N 444.645 4.728 30 10 IJEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccccc1C 1286610124 XTNWUMHVNSVGQK-OAQYLSRUSA-N 444.583 4.615 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccccc1 1286613535 APVITYZGSJUBPD-KSEOMHKRSA-N 426.605 4.987 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1286661306 ZBDQJWBSKLEXPG-YLJYHZDGSA-N 429.609 4.594 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H](C)C1 1286738850 GETBCJNNXLRGSW-TZIWHRDSSA-N 436.556 4.863 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286827104 CWUSDNFVKWXDHZ-IBGZPJMESA-N 434.556 4.745 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1286830977 XQCNMUPUBGLNOJ-FCHUYYIVSA-N 439.673 4.955 30 10 IJEE C#CCN(C(=O)CCCCc1cccc(O)c1)[C@H]1CCOc2ccc(Br)cc21 1293513782 QGXOALFPTNGLLY-NRFANRHFSA-N 442.353 4.853 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CCC 1300868130 CJQFKRYEGMTCFE-IEBWSBKVSA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCCC[C@H](SC)C1 1300877932 YIJYACZAGJYJSE-URVUXULASA-N 426.630 4.957 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1301027698 VYQUBIRPBVQSOT-OAHLLOKOSA-N 435.384 4.895 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C2CC2)N(C)C)CC1 1301072281 GWXIFRBUQLXNQC-HXUWFJFHSA-N 444.421 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnn(CC(C)C)c2C)CC1 1301114403 RVKHGBKTICFDND-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1301154405 RKKUYYJDVOSVLN-IBGZPJMESA-N 441.576 4.645 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCCCC2)CC1 1301188798 NNSDQJXHLLUBDM-UHFFFAOYSA-N 443.586 4.958 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301208305 RJFYHNSIJZROIR-OAHLLOKOSA-N 447.406 4.810 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1301226487 FTFXEOOHSSBCNU-NRFANRHFSA-N 442.677 4.548 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1301289929 VCTAXKJCKYCLMR-WOJBJXKFSA-N 448.615 4.979 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1301434065 FHNFEJQDGMNNGG-LBPRGKRZSA-N 448.315 4.634 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1301531410 LRQKEOFKRHTNLO-GHTZIAJQSA-N 438.597 4.547 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(OC)CCCCC1 1305660861 ATMGYGSJNRXJCK-OFNKIYASSA-N 425.552 4.611 30 10 IJEE C=CCn1c(SC[C@@H]2CN(C)C(=O)O2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1307245724 KOLVCWDCZMKZME-HOTGVXAUSA-N 446.642 4.886 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@@H](C)C3)C(=O)OC 1307268166 UDVMFFOMTABZNR-GDBMZVCRSA-N 434.627 4.839 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(C(N)=O)c1 1309976782 HJAPKANREQHZNT-UHFFFAOYSA-N 437.315 4.626 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2ccc(OC3CCCCC3)cc2)n1 1310544797 ACVGLRYLLGHDCE-UHFFFAOYSA-N 433.487 4.916 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 1311749044 XTWCLYVXSUVEGW-OAHLLOKOSA-N 436.474 4.882 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)c1ccc(F)c(F)c1 1312180713 WJULHXSTYOBODD-QFBILLFUSA-N 425.520 4.821 30 10 IJEE C[C@@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 1312478443 HCFCVUPYFVXKKC-HOYKHHGWSA-N 446.551 4.739 30 10 IJEE COC(=O)c1ccccc1CCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1312478878 HYLWODPYAHCXQN-GOSISDBHSA-N 427.504 4.615 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H](O)C1 1314729350 FWRSEIQWJRQOIW-WMZOPIPTSA-N 441.988 4.719 30 10 IJEE COc1ccc(C[C@@H](C)N(C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 1319315605 NDTYVQBWKRGPFE-GOSISDBHSA-N 448.567 4.518 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccnc(Sc3ccccn3)c2)CCCN1C(=O)OC(C)(C)C 1357196327 RLOMGRGQXNIPLL-HSZRJFAPSA-N 440.569 4.912 30 10 IJEE C=CCC1(C(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)CCOCC1 1358122339 SNFBDGJFRFHKQO-UHFFFAOYSA-N 426.479 4.632 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cccnc1OCC 1358897301 WTMROZZXQYCVPB-HXUWFJFHSA-N 447.583 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1359063810 FBFRFYXPIXUIMW-RUZDIDTESA-N 437.588 4.983 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1359195192 IQZCNEWYXMNBCM-PZJWPPBQSA-N 449.565 4.909 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=C)Br 1359196437 HQAQTJZMGCLQQD-UHFFFAOYSA-N 433.350 4.765 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359200993 YWYGWNIBTRIFAF-FDDCHVKYSA-N 430.980 4.729 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](CC)C1 1359210418 SDTZTYPHIUAOMN-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)c1nccs1 1359234404 OGAGIURRZIHRGF-AWEZNQCLSA-N 432.391 4.898 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)cc1C 1359274282 IAHDELCYHVMXCP-DHIUTWEWSA-N 437.632 4.798 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC[C@H]2C)C1 1359317724 OUJJQBPTXHPWQE-HMXCVIKNSA-N 440.588 4.570 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2C)cn1 1359673488 CYVXOHZHHGVPSC-PGRDOPGGSA-N 429.572 4.803 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)C1CC1 1360466262 BIMFAZKOPPQSCR-YEJXKQKISA-N 429.977 4.713 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(C)CCCS2)c1C 1360865552 DCMVFQXJMQLTCX-QUZZAMIASA-N 427.618 4.917 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CN1Cc1ccccc1 1445780588 BBPZAQBGUFCUHL-CJFMBICVSA-N 425.532 4.530 30 10 IJEE C=CC[C@H](NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1O)c1ccncc1 1457666420 UHCJEBCGLCETKB-HNNXBMFYSA-N 437.714 4.980 30 10 IJEE C=CCn1c(SC/C(C)=C\C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O 1458737158 VWMCRNGOECEGSA-PTNGSMBKSA-N 426.563 4.831 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)Cc2ccc(Br)c(F)c2)cc1OC 1458929711 XPZQRLYSBNOTFB-YFHOEESVSA-N 434.305 4.833 30 10 IJEE C#Cc1cccc(CNC(=O)c2cc3cc(Br)cc(Br)c3o2)c1 1460889258 GIJMISQXWUKVER-UHFFFAOYSA-N 433.099 4.869 30 10 IJEE CC[C@@H](CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C)Oc1ccccc1Cl 1463246001 FJVPMJOHWFXSLS-HNNXBMFYSA-N 434.970 4.871 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2CN2CCC(C)CC2)cc1C#N 1465970070 GEZWQJWLXZOKFG-UHFFFAOYSA-N 449.555 4.680 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)CC(F)F 1466755766 ALLFXJAIGWRPPK-QFIPXVFZSA-N 442.506 4.974 30 10 IJEE C#C[C@@H](NC(=O)NCCc1cc(Br)ccc1F)c1ccc(Cl)cc1F 1468326196 UPXOOZRKOFQUNH-QGZVFWFLSA-N 427.676 4.597 30 10 IJEE C=CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@H](C)C3 1472961078 MOYXPFASPXTZJI-HNNXBMFYSA-N 442.606 4.875 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCOc1cccc(Cl)c1 1476728647 IZCKCEIIHYLXRE-UHFFFAOYSA-N 425.710 4.868 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1477675928 JZTYJZVZIBPVGC-JAXLGGSGSA-N 433.637 4.739 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1478678575 BBACJYVNWDOWFC-CEMLEFRQSA-N 445.579 4.916 30 10 IJEE CCCN1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1501040251 GQIKFFMEDOJORJ-FCEUIQTBSA-N 438.620 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccsc1)N(CC)CC 1507535300 DTGNYKPMBMQPOL-PGRDOPGGSA-N 439.604 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507538036 ZKCRORWKJOOJHW-HBMCJLEFSA-N 442.051 4.738 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccc(Br)cc1 1507582490 HNPUPLRDAPFJRP-UHFFFAOYSA-N 438.373 4.503 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCc1coc(-c2ccc(C)cc2)n1 1507672330 XFHWCJFYWIZJLM-UHFFFAOYSA-N 429.568 4.536 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCN1CCC[C@@H](C)C1 1507701905 CTHFOLNCVIKWIY-OAQYLSRUSA-N 437.607 4.522 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](CC)C1 1507758008 GAOBEWSVONHZSK-SFHVURJKSA-N 430.643 4.572 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cccs1 1507805384 PIOWYXUHBRHQOU-OPAMFIHVSA-N 444.551 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1ccccc1Cl 1507826470 PCBYNFMRICZLIS-JOCHJYFZSA-N 446.020 4.597 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCCN(C(C)C)CC1 1507947233 ZQTQMSLKDGYKLP-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(C)C)C1 1507959560 QSHOPXUGUTWSAP-UYAOXDASSA-N 444.645 4.585 30 10 IJEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1507966828 XLIVGBZLWNUZQE-UYAOXDASSA-N 445.633 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@@H](O)C1 1508010607 BCYZOTNPRJRDMF-PKOBYXMFSA-N 428.627 4.736 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1508011431 DQVKTNHKUJSJEB-NHCUHLMSSA-N 432.616 4.752 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCCS1 1508037328 WWURMJCNHXLXOO-NRFANRHFSA-N 426.630 4.673 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](CC)Oc2ccccc2F)C1 1508125232 ODPWUDDVCFQDNE-RTBURBONSA-N 430.568 4.645 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)[C@H](C)CC)C1 1516904180 BDEUSLDDBNDOBT-MEKIYTOJSA-N 441.645 4.726 30 10 IJEE C=CCc1cc(C(=O)Nc2nc3cc(Br)ccc3n2CC)cc(OC)c1OC 1518859823 HEFFYRJBISHGOY-UHFFFAOYSA-N 444.329 4.817 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1519727748 FDZBPQXKRXBJRZ-SBUREZEXSA-N 434.964 4.666 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 1522391649 CPUQZITVTAOXTQ-OAQYLSRUSA-N 443.540 4.903 30 10 IJEE CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)COc1cccc(Br)c1C#N 1523511004 CYYWCGARYSGFFM-GOSISDBHSA-N 429.358 4.878 30 10 IJEE C#CCSc1ccc(COC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 1529135103 HBSWKVGAHZEFME-OAQYLSRUSA-N 429.950 4.738 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)cc1OC 1531051167 NBZAIVLKKMACDI-ZSOIEALJSA-N 434.467 4.916 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)cc1 1538812570 VZSZVHGBMKDPOX-UHFFFAOYSA-N 427.382 4.988 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC#N)CC1CC1 1539505077 UQLGXOORUNOZOB-UHFFFAOYSA-N 434.396 4.748 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC(F)(F)F 1539551878 BZONFVJLLLLNNE-OAQYLSRUSA-N 445.445 4.519 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCC)CCC 1539628764 SZEVFXDLMZWJKN-NZQKXSOJSA-N 434.588 4.738 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2cccc(Br)c2)nnc1C(C)(C)C 1539640104 DPFWOWHSQZURPD-PKOBYXMFSA-N 447.421 4.956 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnn(C)c1 1539650610 SVPWVHGIPZUXPY-SFHVURJKSA-N 442.995 4.873 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccnc(SC)c1 1539659131 KNRPQVMCBDYIEW-UHFFFAOYSA-N 439.585 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1539661854 LOCVQDZDBHUASW-UHFFFAOYSA-N 441.583 4.652 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](COc2ccccc2)C1 1539686101 FRMRXLUUBNKJMR-INIZCTEOSA-N 442.361 4.517 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](c2ccco2)C1 1539693737 XOTGABZDQONKPC-MRXNPFEDSA-N 443.345 4.879 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(CCOC)Cc1ccco1 1539695070 ZEPJJTHWUNFSKI-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1539727950 ALCCDKHORLTVHF-VDZJLULYSA-N 448.409 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)[C@H](C)CC)CC1 1539842833 YLSGQKLRCCGWQY-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1539888177 MVHNADYLSNKIHL-IRLDBZIGSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)C(F)(F)F)CC1 1539895827 AOZFWEGGCAAZSQ-UHFFFAOYSA-N 426.458 4.987 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCN(C(C)C)C2)CC1 1539896653 PTZXCGWRZFZQPF-YTFSRNRJSA-N 443.680 4.720 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2ccc(Cl)cc2C1 1539902416 HACBNLFTDMQWOH-KRWDZBQOSA-N 432.996 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1539911194 YDHUTGJXALBOLT-FQEVSTJZSA-N 446.599 4.591 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1539938922 CRBSJDKJGPSTNI-QHCPKHFHSA-N 427.556 4.553 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1539939501 HLEPORGBNQBTPJ-PMACEKPBSA-N 437.975 4.827 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(NC(C)=O)CC1 1539954304 ULBGVZVBXUJAHX-UHFFFAOYSA-N 441.645 4.737 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CCc1cnc2c(Cl)cnn2c1 1540158726 OWIFQVBFAIFBLZ-UHFFFAOYSA-N 447.974 4.625 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1ccc(C)cc1 1540184224 BBDMDYWNZLERBZ-FQEVSTJZSA-N 430.556 4.619 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC(F)(F)F)C1 1540884684 TVCNDOPIEGAWHV-QAPCUYQASA-N 442.457 4.681 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1540911600 WMASTJNEVRUPOX-HXUWFJFHSA-N 444.988 4.997 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCSC(C)(C)C1 1540912388 WYINLQWMVFNKPL-UHFFFAOYSA-N 425.627 4.744 30 10 IJEE COc1cc(CN(C)C)ccc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1556950038 GGYVVSFHFAFEAJ-UHFFFAOYSA-N 440.975 4.527 30 10 IJEE C=CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)[C@@H](C)COC 1563487140 XXEORWCHZNAHLA-WMZHIEFXSA-N 434.584 4.598 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc(OC)c1OC 1563815204 ZDTNGFALVHAKRK-LJQANCHMSA-N 433.552 4.579 30 10 IJEE C#CC[C@@H](NC(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1)c1ccccc1 1564385052 JTMBXAKZAWOJQQ-OAQYLSRUSA-N 435.524 4.702 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)c1ccc(Cl)cc1F 1564667499 AGQKJFYZIFTNGU-RTBURBONSA-N 437.943 4.536 30 10 IJEE C#CCC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CCC1 1585005247 CGOXLWOXEOZCGX-UHFFFAOYSA-N 448.364 4.907 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccccc1 1586026804 BLWBVNYTMWVTQK-PMERELPUSA-N 441.471 4.809 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 1586027977 VCJLJBLLCOMSMK-WJOKGBTCSA-N 428.517 4.788 30 10 IJEE Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 1586935364 GWTJWOAILKTGQL-AWEZNQCLSA-N 435.343 4.921 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@H](c1ccco1)N(CC)CC 1589192573 ZNDPKMDKHNVMCO-QFQXNSOFSA-N 447.583 4.622 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C1CCCCC1 1589560202 YEBJLLYDOSBFLU-PXDATVDWSA-N 438.616 4.822 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1C1CCC1 1593666565 HIKOMYVLXBMJIV-LJQANCHMSA-N 431.378 4.965 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1594064490 OMDGTHMTXBOJHO-DLBZAZTESA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1594504586 XUCRUHGQJCJCBE-WIYYLYMNSA-N 437.613 4.894 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1594704073 RJVHGSQRSNEDRK-OALUTQOASA-N 428.602 4.793 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H]1C 1594793891 ULXXRVGIERABSK-AWEZNQCLSA-N 439.785 4.942 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1595062446 QZRJBBJHCRGANR-WIYYLYMNSA-N 443.636 4.811 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1595099631 FYQVMJPBZKCTJF-FBLLAGFSSA-N 435.572 4.542 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2N(C)CCCC2(C)C)C1 1595706881 QTCMFYVOWMYZRB-WIYYLYMNSA-N 444.023 4.500 30 10 IJEE C[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1612996966 HTEFPTJTCIRLLS-CRAIPNDOSA-N 441.988 4.841 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1 1613389559 CSIYNJUZHLTOQE-IBGZPJMESA-N 436.604 4.528 30 10 IJEE Cc1cc(CC(C)(C)NS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1Br 1622196422 HZFBOCJIXACRIP-UHFFFAOYSA-N 441.778 4.582 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 1622858068 HREQQFHFRZSPFL-FYYLOGMGSA-N 439.437 4.914 30 10 IJEE N#Cc1cc(NC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)ccc1Oc1ccccc1 1624023694 DZIYGWGSUZADML-UHFFFAOYSA-N 426.476 4.646 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 1624356539 HAWPCUNZJHRYGN-QFIPXVFZSA-N 431.923 4.799 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)CC1 1625399975 RLOJGPNOAPIMKY-JCNLHEQBSA-N 434.337 4.981 30 10 IJEE N#Cc1nc(NC(=O)N(Cc2nc3ccccc3s2)C2CC2)ccc1Br 1626727754 HMFJPCXMGCURFD-UHFFFAOYSA-N 428.315 4.522 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1)c1ccccc1 1630656668 SBGNDOMKRQLISE-OAQYLSRUSA-N 445.485 4.718 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H](c3ccccc3OC)CC2)CN(C(=O)OC(C)(C)C)C1 1632886720 LLUAPBGKBSZSJA-LJQANCHMSA-N 428.573 4.605 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)c1 1633771171 GRZRMYMXXXPZNT-HXUWFJFHSA-N 443.588 4.849 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)cc2n1 1635708183 MFEIWTFCTUNRLP-UHFFFAOYSA-N 446.551 4.810 30 10 IJEE CC(C)c1ccc(C2(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCCC2)cc1 1638202803 FGACUPQJBBMOCV-RBBKRZOGSA-N 439.600 4.887 30 10 IJEE O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)N(O)Cc1ccccc1Cl 1639054406 LAHHVFJDXAIGJW-UHFFFAOYSA-N 449.985 4.580 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 1640462845 CDHZGCVVGGCVLD-OAQYLSRUSA-N 434.577 4.540 30 10 IJEE C=CC1(CC(=O)Nc2cccc3cc(Br)cnc23)CN(C(=O)OC(C)(C)C)C1 1640463939 ZRYDGRGPBYUNCK-UHFFFAOYSA-N 446.345 4.749 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 1641983396 LTGRQIYBUJTVMI-MRXNPFEDSA-N 433.348 4.752 30 10 IJEE C=CCn1c(SCC(=O)c2cc(F)ccc2OC)nc2sc3c(c2c1=O)CCCC3 1643476715 OWKHTPNTVFJAKU-UHFFFAOYSA-N 444.553 4.646 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(F)cc3)C2=O)nnc1-c1cccc(Cl)c1 1651889279 DIRVMZFPKXHUPY-SFHVURJKSA-N 428.920 4.821 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1656287101 BOKSDRLLYJNOCW-MRXNPFEDSA-N 427.882 4.598 30 10 IJEE C=CCOc1ccc(CN[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cc1Cl 1657133632 MCLMUKSXWMWERT-IBGZPJMESA-N 449.776 4.871 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1 1657415019 AMKXXPOUISRXPJ-RTWAWAEBSA-N 439.003 4.662 30 10 IJEE C#CC[C@@H](COC)NC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 1658918866 ZIKJKTBKZBOZEZ-INIZCTEOSA-N 427.863 4.979 30 10 IJEE C#CCN(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1660895165 YTHARPCLRPTYMO-HOCLYGCPSA-N 447.295 4.895 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCOc3cc(OC)ccc32)cc1OC 1661576667 TVTGLFWLWHEJEO-SFHVURJKSA-N 434.330 4.645 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cc(Br)c1 1663084268 HRMNLHUOAZFMEE-XHDPSFHLSA-N 437.197 4.625 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)c1ccccc1 1665221719 PBMGQPSDQOOJOA-SFHVURJKSA-N 436.371 4.760 30 10 IJEE CCCc1c(NC(=O)NCC[C@@H](C)N(C)Cc2ccccc2)cnn1-c1cccc(C#N)c1 1670351865 CQJZYZDGIQHRGK-HXUWFJFHSA-N 444.583 4.729 30 10 IJEE N#Cc1cc(NC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)ccc1Oc1ccccc1 1671067003 ATLIVXQUXLOSNT-HXUWFJFHSA-N 434.883 4.742 30 10 IJEE N#Cc1nc(NC(=O)N(Cc2c(F)cccc2F)C2CCCC2)ccc1Br 1673983574 FUXKRJXHJDBKLK-UHFFFAOYSA-N 435.272 4.971 30 10 IJEE Cc1ccccc1C1(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CCCCC1 1677998429 DDZZMGBJKHNLQI-UHFFFAOYSA-N 434.559 4.740 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(=O)N1CCc2ccccc21)c1ccc(C(F)(F)F)cc1 1678237813 KXBMSHNDZGAZAM-LJQANCHMSA-N 431.458 4.601 30 10 IJEE N#Cc1cc(NC(=O)NCc2cc(Br)ccc2Br)c(F)cc1F 1680087737 DNJGOLPQMMDQRX-UHFFFAOYSA-N 445.061 4.683 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CCOC)c1ccc(C)o1 1681094878 QYABYTWUNPFASB-SFHVURJKSA-N 439.325 4.965 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cc1 1682246433 JSZOSMNKLKMNFD-FQEVSTJZSA-N 429.358 4.931 30 10 IJEE C#C[C@@H](NC(=O)NCc1nc(-c2ccccc2F)cs1)c1ccc(Br)cc1 1686327541 NIDSHHRVZHQCKB-QGZVFWFLSA-N 444.329 4.885 30 10 IJEE C#C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@H]1CC)c1ccc(Br)cc1 1686919579 ICQXWUIIGGKSMW-UXHICEINSA-N 426.358 4.564 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1687206599 WEPQQYUIBFLXCZ-GGAORHGYSA-N 443.385 4.635 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1sccc1C 1690063837 QISSAAVNMIPLHL-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cscn1 1690237851 BPXRDOMYMJZAOA-NNWRFLSQSA-N 437.613 4.894 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1690243007 GIMMKIGXKNCIHU-NYDSKATKSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccc(F)cc1 1690246124 RCIFAUWFFCPILP-BVSLBCMMSA-N 428.552 4.667 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1coc(-c2cccs2)n1 1690258528 JKFUFFHUKVOGBR-UHFFFAOYSA-N 430.537 4.984 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](CC)N2CCCC2)CC1 1690364404 PVAILALHGVKZJK-UXHICEINSA-N 427.568 4.588 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2snnc2C)CC1 1690398848 IEKNAORRQBCWHG-OAHLLOKOSA-N 444.992 4.682 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1690406456 GTQRZKQZFOVZTC-QUCCMNQESA-N 440.588 4.570 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1690488900 VPPIKEUVHISFIK-UHFFFAOYSA-N 449.574 4.920 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](OC)C(C)(C)C 1690586063 DPIFHHKMIKGSIM-GOSISDBHSA-N 433.394 4.947 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CC)CCCC2)C1 1690706275 HPFITJVYNGZURU-SFHVURJKSA-N 430.543 4.899 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1CCC1CC(OC(C)(C)C)C1 1696676304 DWCLSFAIBGMNCJ-UHFFFAOYSA-N 444.583 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1705478372 AJFXHQWKWRZVLH-ZRBLBEILSA-N 447.671 4.963 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1705501423 ZCMKHUKZBVRLTD-FQEVSTJZSA-N 431.584 4.532 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2Cl)CC1 1705519821 YGBHEUFWQOYUBI-UHFFFAOYSA-N 440.016 4.714 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CC)C1 1705521374 ZYQBGSMLVFCNDV-QGZVFWFLSA-N 437.371 4.583 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1ccc(N(CC)CC)nc1 1705625833 YCVUTVIMZLOZEG-UHFFFAOYSA-N 446.574 4.614 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1705655985 TVEWCOUAGRGXKA-XLIONFOSSA-N 433.021 4.606 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1705659938 JPXPMZUMEOHRKK-PKTZIBPZSA-N 438.641 4.906 30 10 IJEE C=C(Br)Cn1c(N(C)CC2CCOCC2)nnc1C1(c2ccccc2)CCC1 1705691047 PFIUSOQTRYFAFZ-UHFFFAOYSA-N 445.405 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCc1cccs1 1705702278 GLRGAKZWJDHJRR-UTKZUKDTSA-N 426.561 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1705703957 PXMPHIOBEIPDKC-YYWHXJBOSA-N 430.593 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H](C)N1CCC(C)CC1 1705720060 WGHZOGXCOOXGSW-QFIPXVFZSA-N 425.621 4.688 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H]1CC 1705753434 AKAGYKWHGASKSW-CRAIPNDOSA-N 438.016 4.770 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](CC(C)C)N(C)C)CC1 1705763200 QMBLEWJPQUIKAG-VQTJNVASSA-N 429.584 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1705765445 MRNLRWBBOGYKQZ-FQEVSTJZSA-N 445.995 4.916 30 10 IJEE C=C1CCN(c2nnc(CC3CC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705770783 UPUFIOUPKFFNJM-HXUWFJFHSA-N 429.609 4.567 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CCCCC2)CC1 1705778031 YLXAXBTWYSDRJH-UHFFFAOYSA-N 445.405 4.805 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCCS2)CC1 1705785719 SXPBLDMBXPIRDI-SFHVURJKSA-N 430.643 4.877 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1Cc1ccncc1Cl 1705858365 VBSDMGJVONILJW-UHFFFAOYSA-N 441.926 4.501 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1 1705862589 PFINDTXYHXLRTK-SFTDATJTSA-N 448.590 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(N2CCOC2=O)cc1 1705864064 PYINLSSQCWHFFW-UHFFFAOYSA-N 437.569 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCCCC1 1722493303 XTPLWGKZZCOXHL-KNKQGSTJSA-N 428.552 4.919 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1N(C)CCCC1(C)C 1722516190 VYZFLWNBRMXDIK-JOCHJYFZSA-N 425.621 4.688 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722548550 KFRFZGXRXOCGCQ-IRXDYDNUSA-N 437.769 4.608 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722602720 IAMKJIRJPJBGFG-QGZVFWFLSA-N 431.993 4.933 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cc(C)on1 1722623937 OETWOWGHBIVUJJ-INIZCTEOSA-N 441.601 4.657 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCSC1 1722675714 SHVYLOLOXKOZSL-HSZRJFAPSA-N 433.625 4.642 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(C)(C)C)cs1 1722861813 DFVQQPQXCFGLCU-AWEZNQCLSA-N 428.993 4.997 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C 1723761667 FWRWOTUPNHDXNO-PXNSSMCTSA-N 446.580 4.972 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1OCC(F)(F)F 1726964184 BFSLUYHGZJIOJI-IERDGZPVSA-N 435.494 4.911 30 10 IJEE CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728007284 TVQLEGFEJYEILS-OAQYLSRUSA-N 430.556 4.545 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1731181139 FZPJZHSTVIIZEU-ZWOKBUDYSA-N 427.490 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C2CC2)CCC1 1740537932 AGXLNWVBRGIITN-HNNXBMFYSA-N 443.389 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)CCC(C)C 1740560010 ZVEJYUYUSMGJPR-HTAPYJJXSA-N 435.037 4.869 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CC)C1 1740574039 COJCNDDPYHURKY-LEWJYISDSA-N 443.636 4.823 30 10 IJEE C#CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Br)cc1 1740597430 SZXVQQDBOJIVQA-MRXNPFEDSA-N 447.287 4.641 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(CC)noc1C 1740631475 BAWWCMGBRDEEFX-UHFFFAOYSA-N 449.967 4.793 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ncc(CC)s1 1740663655 OWPYFILYMDNSAH-UHFFFAOYSA-N 444.608 4.879 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCSC 1740678192 DVHUHSOMKODNMX-NHCUHLMSSA-N 444.620 4.729 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1740783599 LZVIXWBPPRWOAV-HXUWFJFHSA-N 432.515 4.766 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)c1ccccc1 1740788980 AVWPDVNBBKOCCN-SFHVURJKSA-N 425.964 4.826 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1740792417 HZRYMUQBFUPHHD-LJQANCHMSA-N 426.948 4.702 30 10 IJEE C=C(C)COCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(-c2ccc(F)cc2)s1 1740799730 UPYKAZJFSPAJJB-UHFFFAOYSA-N 438.532 4.883 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1csc([C@@H](C)OC)n1 1740918217 GRPAJSGRLROKLW-QGZVFWFLSA-N 434.569 4.678 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@]1(O)CCCC1(C)C 1740919503 IMDZTFZRJGXLGW-RUZDIDTESA-N 435.547 4.613 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CCc1nc(C(F)(F)F)cs1 1740919952 YCWZMHIVKRJPOT-UHFFFAOYSA-N 425.455 4.636 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(CC)c1 1740935992 DJDSTYZAVAIYJF-UHFFFAOYSA-N 436.947 4.691 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1Cc1cnc(C)s1 1740936530 YBLZODHGIDCWBL-UHFFFAOYSA-N 435.553 4.595 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC(C)(C)C2)C1 1743065540 CMTJEDQHTFIIMC-FQEVSTJZSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCSc1nccs1 1748641358 FWPNHXCUCORNFI-HKUYNNGSSA-N 425.627 4.917 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](COc2ccccc2)C1 1749103827 FBHHCYFBXPVGDT-KRWDZBQOSA-N 433.394 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)C1CCCCC1 1749165918 SJSCGDRROYQMKP-VWLOTQADSA-N 426.605 4.899 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1749222407 HLBNHCPPGUMFBC-FCHUYYIVSA-N 437.588 4.659 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1749257898 FQAZYDCPBQMTKE-JKSUJKDBSA-N 437.009 4.824 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OCCCC)CC1 1749293884 IBAQDZCRURPAAS-UHFFFAOYSA-N 438.963 4.772 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCSC2)CC1 1749330979 ANLFKAQOAOWPEE-INIZCTEOSA-N 433.419 4.863 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCO[C@H](C)C2)CC1 1749335122 LBBXWLXPAOROPG-SJLPKXTDSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1749364333 QMRZAWKIAMDVJC-MOPGFXCFSA-N 448.615 4.902 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749448417 ZYMHVIKXZIWKDV-TZYHBYERSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1749538128 DOBVOIKSILMKRS-JTHBVZDNSA-N 446.599 4.769 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCC1=CCCCC1 1749545219 YERYAKQTIVMITC-UHFFFAOYSA-N 425.602 4.659 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1c(C)noc1C 1749564559 BZYNVIYGSZSIIG-UHFFFAOYSA-N 428.334 4.539 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)OC(C)(C)C2)cc1 1749685407 DLYGZPGIKLXLHQ-GOSISDBHSA-N 438.597 4.547 30 10 IJEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)CCS1 1751295081 DGIQQRJCNJWRQM-SFHVURJKSA-N 431.556 4.974 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1760158135 DXUQNMQZNHOOPY-IBGZPJMESA-N 436.581 4.552 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1Cc1ccc(OCCC)nc1 1760241526 CELUFNFHCPKFIB-UHFFFAOYSA-N 447.558 4.947 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760301601 FJZPAALKILWNGM-XUVXKRRUSA-N 445.405 4.591 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1760302429 CQLSAQJOAGBVTR-IRXDYDNUSA-N 447.377 4.638 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1760308459 GAHKTXYTPVHHGD-HOTGVXAUSA-N 425.415 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1760326259 VJUOPHRGUDJNKL-YYDVJCTNSA-N 442.579 4.850 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@@H](OC)C1 1760370310 NSIWMWTXRSBBDL-GOSISDBHSA-N 434.968 4.500 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(C)(C)O)CC1 1760405544 WRLCHYKBMZNIIO-UHFFFAOYSA-N 426.605 4.718 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1760430829 VPEKTOVRGLSWRT-OAQYLSRUSA-N 426.536 4.724 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1OC 1760444847 SJCKPBWBSOYWBK-IFMALSPDSA-N 442.604 4.817 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1760445257 FDJICEIIPMWNKT-UZLBHIALSA-N 436.959 4.755 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCCCCC1 1760446438 RQKGCJLJUBADCB-UHFFFAOYSA-N 425.396 4.742 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760459395 RTCMVKMTQNJZFT-MRXNPFEDSA-N 433.984 4.724 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760486949 FNYIUXVEOXDHST-CYFREDJKSA-N 427.662 4.995 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCS[C@@H](C(C)C)C2)cc1 1760530788 YLEHDEFLLMJRGE-JOCHJYFZSA-N 435.597 4.531 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1scnc1C 1760532643 ARNWNYGZCNKJSK-HXUWFJFHSA-N 439.585 4.534 30 10 IJEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nc(C)cs1 1763386167 IFLOWYOVROVHHW-VQIMIIECSA-N 436.585 4.676 30 10 IJEE N#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 1860840840 QBQGZCHGLIFAPZ-QHCPKHFHSA-N 442.906 4.673 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861399585 DSGSMTYJOWCGBX-OAQYLSRUSA-N 444.645 4.575 30 10 IJEE C=CCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 1861442794 XGKFCYKJLJLTGG-JOCHJYFZSA-N 432.568 4.944 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C(=O)O 1862447035 GVSQFKLOPNGPTA-LJQANCHMSA-N 427.884 4.663 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862504156 NJOPUUKWEDEVSL-NRFANRHFSA-N 439.483 4.991 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1)c1cccc(Br)c1 1862523224 CBMRNNWYNFQIQI-IBGZPJMESA-N 442.309 4.676 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862539451 RXMMPRSYUINMJQ-LJQANCHMSA-N 434.319 4.517 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862541453 LSQUNAILJMIMFD-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(O)cc2)c1 1862555761 HRJQXWOQVNMLSQ-TVQFERKRSA-N 444.531 4.522 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1C(=O)O 1862650993 IOFZGORGTPIHSJ-NYHFZMIOSA-N 429.472 4.915 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 1862673069 BGLHENLGAXBZNJ-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1 1863151772 JZLWCCJJEFOOBF-INIZCTEOSA-N 441.462 4.659 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2C)=C(c2ccc(C)cc2)C1=O 1863276695 WSHBNQDRERFXRD-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(C3CCCC3)C2=O)cc1 1863283695 GXCWBNAPGXEQLU-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCc3ccccc3)C2=O)ccc1F 1863463178 ZZZUQGZDMJZRMH-UHFFFAOYSA-N 439.490 4.831 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(CC)cc1 1865497427 OBSHCZFNLGXVSQ-QFIPXVFZSA-N 448.611 4.703 30 10 IJEE C=CCOc1ccccc1OCC(=O)NC[C@@H](Cc1ccc(OC)cc1)c1ccccc1 1868035588 MYXMYZOVPLFNEP-HSZRJFAPSA-N 431.532 4.782 30 10 IJEE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(F)cc2)n1 1868465583 FVRRACYCZKNOLA-OAHLLOKOSA-N 425.471 4.745 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1 1868907240 CCTFUWZTQBOSLW-HSZRJFAPSA-N 447.604 4.887 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccccc1 1870348621 FJAIHFXPAXEMIN-UHFFFAOYSA-N 439.559 4.716 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870404076 BDEFLCZIVZIYRS-HZPDHXFCSA-N 437.367 4.529 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN(C)C 1870504228 TZJRLTZDHBLQIC-UHFFFAOYSA-N 448.633 4.525 30 10 IJEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc(OC)cc1 1870791399 SSAXHXQAMXEAND-UHFFFAOYSA-N 430.589 4.981 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1cccc(F)c1 1871016999 HAOGOCPBZIHRMO-UHFFFAOYSA-N 445.579 4.865 30 10 IJEE Cc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccn1 1871254293 XBSSEMUBYWEHAI-UHFFFAOYSA-N 436.515 4.663 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2c(c1)OCO2 1871255319 VOSRXAQNSLBPDZ-UHFFFAOYSA-N 445.519 4.686 30 10 IJEE CCn1cc(/C=C2\Oc3c(CN4C[C@@H](C)O[C@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 1871394983 AWXPANBDUMLNCS-PTHAGNARSA-N 446.547 4.901 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871949485 QYBRKJOGJGGMGR-LJQANCHMSA-N 441.380 4.896 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872041464 UYYGEIIXBVUCDA-SBUREZEXSA-N 444.597 4.542 30 10 IJEE Cc1sc(C2=C(N)N(c3cccc(OC(F)(F)F)c3)CC2=O)nc1-c1ccc(F)cc1 1872726372 STZOOEQDZDBBSJ-UHFFFAOYSA-N 449.429 4.873 30 10 IJEE C=CCn1c(C(=O)N(C)CCCC)cc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 1873561614 SEEFYXGUCUAHLI-UHFFFAOYSA-N 445.611 4.949 30 10 IJEE C=CCn1c(C(=O)NCC)cc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21 1873593809 IKRVRPPFKPUMRZ-UHFFFAOYSA-N 425.536 4.574 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1cc(C)ccc1O 1874228253 AKTOHCPKAVSKSV-BUVRLJJBSA-N 436.537 4.596 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2cc(F)ccc2F)nnc1SCC=C 1874261251 OJXCHDQJAKMWAK-AFUMVMLFSA-N 442.491 4.860 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874262771 PTYIEYBTVLXLJP-AWQFTUOYSA-N 438.296 4.676 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc[nH]1 1874311710 QMTMQTAVPJEAEP-CVKSISIWSA-N 435.528 4.714 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1)Nc1ccc(F)cc1 1874426387 GBZRQSMDJCRSHS-YDZHTSKRSA-N 437.525 4.759 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1Cl 1874434605 NOANSQDHMGXUIB-LGJNPRDNSA-N 449.967 4.895 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 1874449997 QPBQVIYSGYTQGF-BYWZACNXSA-N 442.928 4.656 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2F)o1 1874482185 YKIFBCFPLNJFOC-BHGWPJFGSA-N 448.495 4.798 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCC)nnc1SCC(=O)Nc1ccccc1C 1874503767 ZBJFKUWVPVTLPY-PCLIKHOPSA-N 449.580 4.717 30 10 IJEE Oc1ccc2cc(Br)ccc2c1/C=N/n1c(S)nnc1-c1cccs1 1874559117 XEUIZISBQSFPDO-DJKKODMXSA-N 431.340 4.799 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cnccn1 1875159926 RFOHKYVOYCQWOV-FPYGCLRLSA-N 426.831 4.783 30 10 IJEE CC(C)(C)N(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 1961709752 BVPQJXWZWNRMLN-UHFFFAOYSA-N 445.210 4.948 30 10 IJEE C#CCCCC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2005505437 QMUQMEQUORMEEQ-BVAGGSTKSA-N 427.633 4.718 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079934154 KLPLIXJVEHQJBP-HNNXBMFYSA-N 445.251 4.859 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2102878593 SKZUUMDUBDWCMZ-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1Nc1ccc(C#N)c(Br)c1F 2105973908 FAAPLYYIIVKUKB-VXGBXAGGSA-N 426.330 4.763 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCNc1cc(Br)c(C#N)cc1F)C(F)(F)F 2106020560 UCCFTWQPEXKAED-ZDUSSCGKSA-N 440.235 4.717 30 10 IJEE Cc1c(Cl)cc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2111082637 HKEWYIHPDYQQTH-UHFFFAOYSA-N 428.563 4.766 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CNc1ccc(C#N)c(Br)c1F)C1CCC1 2137699461 FKIWCEFBPXWNAM-IBGZPJMESA-N 426.330 4.955 30 10 IJEE C[C@H]1CCCN(c2ncc(Br)cc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174807909 IBJICIBYYBHPJU-WMLDXEAASA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CN(c1cc(Br)cc(F)c1C#N)C2 2174810028 HOBDTZJOKJYYSL-XCLFUZPHSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(COc1cc(Br)cnc1C#N)c1ccccc1 2198815795 PTTRHPUTUIRIFE-FQEVSTJZSA-N 432.318 4.535 30 10 IJEE CCc1ccc(C#C[C@H](NC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223358523 GINUTRCFOPMDSM-KSNOWIBYSA-N 436.596 4.687 30 10 IJEE O=C(C#Cc1cccc(Cl)c1)c1ccc(Br)cc1I 2230997239 OZPIYDSPWGYWPT-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](N)C#Cc3ccccc3Br)CCC[C@@H]12 2235725284 JDWLQJTYHJNIKH-KNKQGSTJSA-N 433.390 4.698 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2255767610 KUYHTJZRJDLNBR-UHFFFAOYSA-N 425.353 4.813 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)cc1 2256035648 OSHONGPXJBYMPN-UHFFFAOYSA-N 425.338 4.659 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266065323 IZNIRCGCVGEUHL-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccccc2Br)C[C@H]2CCCC[C@@H]21 2279718916 PBQRYNUAMUWJLH-LZNRXBQRSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(O)C#Cc1ccccc1Br 2285775816 BIHIWBKJFYYIPW-RPIYSHSISA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@H](O)C#Cc1cccc(Br)c1 2296216910 OXYYVLBUNLIPNP-YSTOQKLRSA-N 434.374 4.587 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@H](O)C#Cc2cccc(Br)c2)C1 2296223649 BYWHDNRXOAHUGU-RBUKOAKNSA-N 434.374 4.589 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296233681 ZTDXDICIRCAVLS-AABGKKOBSA-N 436.390 4.691 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C 2296289194 PALUZDGZYYHGFU-UZLBHIALSA-N 445.348 4.717 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C 2296296156 KRYWXBLWPCERLJ-DLBZAZTESA-N 445.348 4.669 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](N)C#Cc1ccc(Br)cc1)C1CCCCC1 2296304687 KFDNUJWRPUFCBZ-VQTJNVASSA-N 435.406 4.992 30 10 IJEE COc1cccc(C(=O)C=C2Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3NC2=O)c1 2297341554 LKUFJMWRXWLRNQ-UHFFFAOYSA-N 441.487 4.695 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccccc1 2297746049 IVVFFMMBWBXTPC-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC 2305399609 HIXVSJCFKGTVSU-OFVILXPXSA-N 430.589 4.945 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(C(C)C)cc1 2320933993 PHVBXZPJLXIMOD-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1 2321958802 SATUEVITRYRRIK-HNNXBMFYSA-N 432.303 4.941 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322170746 JKAXOJPIZPBVFC-UHFFFAOYSA-N 444.934 4.897 30 10 IJEE CCCCOc1ccc(C=NNc2nc(O)cc(-c3ccc(OC)cc3)n2)cc1OCC 2323260285 PSNANFCCGFPNRF-UHFFFAOYSA-N 436.512 4.881 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OCCO 2323434680 ZSYPNSFJOVDECC-UHFFFAOYSA-N 445.353 4.994 30 10 IJEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc(O)c2CN1CCN(c2ccccc2)CC1 2324162646 GGUDDKMBSNDURX-UHFFFAOYSA-N 446.934 4.984 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2324545221 XNATXANSMGSJEX-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE COc1ccc(C)cc1-c1csc([C@H](C#N)C(=O)C=Cc2ccc3c(c2)OCCO3)n1 2324572472 NSOPTVGUJVJKHK-GOSISDBHSA-N 432.501 4.788 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2325435548 ROPOEUYZKJTZAU-KRWDZBQOSA-N 442.471 4.615 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)(C)C)C3)n2N=Cc2ccccc2)cc1 2327809005 RBPIUDFOJWEOFE-OAQYLSRUSA-N 447.608 4.875 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(CC)cc1 2327853094 FNUFNTARGCZXAY-IBGZPJMESA-N 425.602 4.505 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1c[nH]c2ccccc12 2330045362 OQYBMHGYZZAEAO-UHFFFAOYSA-N 447.564 4.586 30 10 IJEE COc1cc(C=CC(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2330658656 JAGSFZBIXCKVCG-QFIPXVFZSA-N 432.472 4.838 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 2331150293 BSWDFVKIPJZSEO-UHFFFAOYSA-N 440.834 4.823 30 10 IJEE C[C@@H]1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339577426 SHBZPGZWHBFQEV-CYYVBXFOSA-N 444.381 4.751 30 10 IJEE COc1cc(Br)c(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 1283973 VJPAUQXKSZKQBU-UHFFFAOYSA-N 449.370 4.850 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1/N=C/c1cccc(Br)c1 1884104 QCGDBHWSFUGYSQ-SUQUQSPJSA-N 448.323 4.593 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Br)cc1 21249646 WHZDZNCRRNKQAT-MAUKXSAKSA-N 440.337 4.852 30 10 IJEE C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)SC1=S 39850194 IZHQBKDFUFHKPE-NDENLUEZSA-N 447.541 4.655 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(F)c2)c1 169928735 SHRLOLDKTIHOPX-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCOc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccccc1Cl 169939053 QVWCFQMQSDLPOI-OAQYLSRUSA-N 430.957 4.700 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1ccc2c(c1)OCO2 169988338 ZQPWLPVJJMOQKE-LJQANCHMSA-N 441.411 4.538 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccn2)cc1 169994899 YYPCSCVZWKYGIR-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccncc2)cc1 170024952 KSRYUJDGZNNSLA-QHCPKHFHSA-N 430.479 4.604 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 170050209 PXIMKVHBLURCLR-DEOSSOPVSA-N 427.456 4.517 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccco2)c1 170097818 UEDCAOMPOAOGBR-QFIPXVFZSA-N 435.451 4.904 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)c1 170117756 SJXZMLOXLJAULW-XMMPIXPASA-N 445.515 4.852 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC)c(OCC)c1 170127658 SEATWMFTKVMLMH-QFIPXVFZSA-N 435.476 4.828 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)cc1C 170132908 SDBAGTCVWUGUHL-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccnc2)cc1 170186050 QQZZNCDMYOLVCD-HSZRJFAPSA-N 428.488 4.744 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(F)cc1 170237837 SFCGLQQJVPPINX-QFIPXVFZSA-N 441.499 4.616 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2)cc1C 170241538 ZYJGLRRUWYDTQE-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)c(OC)c1 170285581 REKSAZAHDCBSKO-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccco2)cc1C 170297506 FREFOCQLXACSGX-NRFANRHFSA-N 443.459 4.646 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)o1 170307696 IBZIJCIPIXWSIW-HSZRJFAPSA-N 446.503 4.857 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(OCc2ccccc2C)cc1 170438690 JLQLFAMMHZNEKR-DEOSSOPVSA-N 437.536 4.531 30 10 IJEE CCc1ccccc1NC(=S)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 254759816 SCQFRJSUOQWXNC-UHFFFAOYSA-N 432.524 4.626 30 10 IJEE C=CCOc1cccc(CN[C@@H](C(=O)O)c2c(C)nn(-c3cccc(Cl)c3)c2C)c1 426790393 DDCMNLLRFCJFPN-JOCHJYFZSA-N 425.916 4.623 30 10 IJEE Cc1ccc(C(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)Nc1cccc(Cl)c1 441686612 JQIVTWQXDHSXBD-UHFFFAOYSA-N 445.972 4.509 30 10 IJEE C=CC[C@@H]1N(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCO2)CCCC1(C)C 460894423 JIPJOYPCBKOLTG-UGKGYDQZSA-N 440.588 4.616 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1ccc(-c3noc(-c4ccc(F)cc4)n3)cc1)CCCC2 484181650 WVLDHHJMKTYPIL-UHFFFAOYSA-N 439.450 4.940 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 504043674 SBQNEITVSKOQKL-LJQANCHMSA-N 447.377 4.838 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)c1c(C)nn(C)c1C)c1ccc2c(c1)OCO2 521089547 ROEDXYNCEQMDJT-QGZVFWFLSA-N 447.535 4.667 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccncc2)c1OC 526522366 QEGLRJVNCUCSRT-NRFANRHFSA-N 447.878 4.681 30 10 IJEE CC1CCN(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)CC1 526689422 PWVSREDYLYHYSD-UHFFFAOYSA-N 437.952 4.821 30 10 IJEE COc1cc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc(Cl)c1OC 526816615 FRTTYONBOQDWOO-NYAPKIOYSA-N 441.315 4.916 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526823418 VDSXFYUPXOSWDC-AQHIEDMUSA-N 448.335 4.605 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(C(C)=O)c(Cl)c2)nnc1-c1ccco1 541228294 PXILKZMSGCNTLM-UHFFFAOYSA-N 430.917 4.701 30 10 IJEE C=C(CC(=O)c1ccc(Cl)cc1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585826217 PZQQHXRWTHOPJT-UHFFFAOYSA-N 439.987 4.913 30 10 IJEE CC(=O)N1CCCCC[C@@H]1C1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 587974289 JGRILORYSGCVMY-LJQANCHMSA-N 438.797 4.982 30 10 IJEE COC(=O)c1ccc(N=C2S/C(=C/c3c(OC)ccc4ccccc34)C(=O)N2C)cc1 725380164 WHNHMRAEWSWYMZ-ZOQGDPGVSA-N 432.501 4.869 30 10 IJEE CC(=O)N(c1nc(COC(=O)[C@@H](C)Oc2ccccc2C#N)cs1)c1cccc(C)c1C 728322872 PPJGUKMDWAOWFT-QGZVFWFLSA-N 449.532 4.827 30 10 IJEE C#CCN(C(=O)N[C@H](C)CCc1ccc(C)o1)[C@H]1CCOc2ccc(Br)cc21 743671840 FECZQLKNOBJWLO-QRWLVFNGSA-N 445.357 4.840 30 10 IJEE COc1ccc([C@H](NCc2ccc(C#N)cc2F)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 774173867 ZRXZGBJNGXQCGP-GOTSBHOMSA-N 439.531 4.936 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(N3CCCCC3)nc2)no1 904431889 GMIBIINQGCZINU-INIZCTEOSA-N 433.940 4.830 30 10 IJEE CC(=NNc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1ccc(C)cc1 1084196086 NPBUZHPLYGWKBC-UHFFFAOYSA-N 439.932 4.945 30 10 IJEE CC(C)(C)OC(=O)Nc1cnc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cn1 1126012451 FPBMYZCWORYZQI-UHFFFAOYSA-N 431.452 4.740 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cnn(Cc3cc(F)ccc3Cl)c2)cc1OC 1130183311 AXRWOOKFJXNSGR-UITAMQMPSA-N 441.890 4.949 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)cc1 1130714236 FXVYCAAFEMLREQ-NRFANRHFSA-N 432.442 4.757 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 1136705725 YSLXHTWZBMIKRM-QFIPXVFZSA-N 429.605 4.789 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1137018500 UVMPBIIUPVENBS-PXDATVDWSA-N 431.536 4.643 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 1138264077 JHCMSVIBVSUDMT-VDGAXYAQSA-N 436.980 4.878 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(C)c1)Cc1ccccn1 1143839108 WDGMAAVAMYHKDP-NRFANRHFSA-N 443.975 4.955 30 10 IJEE C=CCCC[C@H](C(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1153975896 KRKYJSISSZEVTQ-QTISVLPJSA-N 442.600 4.753 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1160477992 VRHZWGAYKKXJRO-LJQANCHMSA-N 442.903 4.720 30 10 IJEE C=CCn1c(Sc2ncc(Br)cc2F)nc2cc(Cl)ccc2c1=O 1161957269 NJZBYTNDTCXJCY-UHFFFAOYSA-N 426.698 4.684 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1163598250 JFCPWPORNOFFRR-CVEARBPZSA-N 437.590 4.557 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2CC)cc1 1200401952 ABABAPISYYNHIM-JOCHJYFZSA-N 437.540 4.649 30 10 IJEE C#CCN(C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C)C1CSC1 1214929418 SDORFONEAFVJBJ-UHFFFAOYSA-N 447.482 4.849 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 1264208422 CTJFZIZVAXKOGG-UHFFFAOYSA-N 438.981 4.895 30 10 IJEE C#C[C@@H](NC(=O)C(F)(F)c1cccc(Br)c1)c1ccc(Br)cc1 1275474786 RMBZMBBHPDLHMP-OAHLLOKOSA-N 443.085 4.794 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286276004 QHNWEHZVCKOWEJ-RZUBCFFCSA-N 444.627 4.628 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1286496998 YIUQECROXWHZSA-HXHBTQRASA-N 442.604 4.939 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(C)C)CC1 1286512621 XICCIQVMKCVCTI-UHFFFAOYSA-N 426.630 4.713 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOCC2(CC2)C1 1286533967 NIYAZPVOOQEZSA-UHFFFAOYSA-N 445.405 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](CCC)C1 1286551608 MPUQKXMFWPGRHG-MMOPVJDHSA-N 448.970 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC 1286555536 YGJNHVVGIRWBCL-KDOFPFPSSA-N 437.357 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](C)C1 1286562317 KMTGHCVLLZBXGG-AHJNKEMKSA-N 430.637 4.804 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](c2ccco2)C1 1286635802 BPHBJXPPJHHEOR-SFHVURJKSA-N 446.960 4.502 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1286651686 IOBIMNPRZFMVAT-AZUAARDMSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCS2)CC1 1286654705 ITHFWORCROKZFE-OAQYLSRUSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](C)(C(N)=O)C1 1286666872 GNHUMFRLQHLCTC-DEOSSOPVSA-N 441.645 4.580 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2CCOC2)CC1 1286689994 ITDLIKPRJARKFM-YPAWHYETSA-N 430.637 4.806 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)CN1CCCCC1 1286730888 RBODZGZCVCXQJL-OAQYLSRUSA-N 439.648 4.899 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1cnccc1OC 1286748715 ZSQJHQZSHGTWPC-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCCSC)C1 1286803330 GNKRVUOWJLKWJW-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C2CC2)cs1 1288505671 AQKCRZAQMSWJPA-CYBMUJFWSA-N 444.511 4.667 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 1293976459 NXSVTVIZTGDFDH-GHMZBOCLSA-N 441.903 4.765 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C 1298076598 VPZPTDNIFLYMKT-ROUUACIJSA-N 440.625 4.889 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1300281098 HHTFAVUFXUEDSH-OAQYLSRUSA-N 442.611 4.645 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC(F)(F)F 1300740990 JPRFLNREWRWNDV-UHFFFAOYSA-N 433.503 4.557 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC(C)=C(C)C1 1300750738 ARBRGBGLYYMKFS-UHFFFAOYSA-N 431.403 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC[C@@H](OCC)C(C)C 1300816852 WXUCRLCNOZGWJB-ZEQKJWHPSA-N 438.616 4.917 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C1CCC1 1301000729 XYTOEZRZCDFMDO-NRFANRHFSA-N 430.980 4.872 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 1301165760 KAPMCDIHPMFSQM-XMMPIXPASA-N 449.643 4.675 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CCCOC2)C1 1301207709 FNBPFTBFWZCGCX-JOCHJYFZSA-N 445.405 4.989 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301225339 CGSXJWYTLYDROI-NRFANRHFSA-N 440.485 4.504 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1301241013 LCAWWPXRWIUTAK-HZPDHXFCSA-N 449.368 4.674 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1Cc1c(C)coc1C 1301338035 PNFSHAVNNPCIRS-UHFFFAOYSA-N 443.551 4.723 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1C 1301364902 BTFBWWVJTOFRIV-UHFFFAOYSA-N 446.624 4.945 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1301403916 MSYNVRHKXKVLMN-FQEVSTJZSA-N 425.596 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCC(OC)CC2)C1 1301541831 DUGCGLZLWKODRI-FBPXKMNZSA-N 430.980 4.585 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CCC2CCOCC2)c1C 1304012156 BOCLSCBWDCXCRG-AZUAARDMSA-N 425.577 4.590 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 1306951322 CZPISUNJAGWEOW-FQEVSTJZSA-N 427.335 4.899 30 10 IJEE Cc1cc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)ccc1C#N 1309285661 FIIDTMWOAVDJBA-ZDUSSCGKSA-N 431.970 4.992 30 10 IJEE Cc1ccc(CS(=O)(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1 1309392543 AJBMIJAYCXSOGN-HNNXBMFYSA-N 429.357 4.876 30 10 IJEE C#CCN(C(=O)Nc1ccc(SC)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1310382216 MQIKYOFNXJTPQM-UHFFFAOYSA-N 437.993 4.929 30 10 IJEE C[C@@H](O)CN(CC(F)F)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1310887943 ABWMZBBYXVEZDB-GFCCVEGCSA-N 425.888 4.843 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)n1 1311216778 YKQSTIUAIVCLJW-MRXNPFEDSA-N 433.261 4.658 30 10 IJEE C=C(Br)CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1CCC 1311755912 BBFWIWNSTQVFJH-INIZCTEOSA-N 434.300 4.614 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccco1)c1ccccc1OC)c1ccc(Br)cc1 1312245776 CGJJDBRPPYHDSX-NQIIRXRSSA-N 439.309 4.814 30 10 IJEE C#C[C@H](NC(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)c1ccc(Cl)cc1F 1312943824 SCJGHDOEVFBJDD-IBGZPJMESA-N 449.954 4.632 30 10 IJEE CN(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1)c1ccco1 1314646891 GADCOTSBBYUGJJ-WMZHIEFXSA-N 438.963 4.624 30 10 IJEE CN(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)c1c(F)cccc1F 1314649986 FWJIRQYIUJCPPM-GBXCKJPGSA-N 442.558 4.647 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1CCCCO1 1315331928 FFCHXEPUDLXHHT-WZONZLPQSA-N 443.979 4.696 30 10 IJEE C#CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 1348545101 NWTLVGYWWHQSNG-SANMLTNESA-N 427.500 4.504 30 10 IJEE CC(C)(CNC(=O)c1ccc(Br)cc1C#N)c1ccc(Br)cc1 1350561252 DRAKECWQGJYYPT-UHFFFAOYSA-N 436.147 4.791 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCc3c(Br)cccc32)cc1OC 1358262044 RCWOTEJBJZIPFT-BEBFYNPSSA-N 428.326 4.839 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](COC)C1 1358916173 CDDIURYMWIXUSU-LJQANCHMSA-N 430.980 4.567 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1358920559 BMOXQHPUQPMNFE-GMAHTHKFSA-N 449.643 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccco1)N1CCCC1 1359003908 BAKLAJKVFJQHQW-FQEVSTJZSA-N 441.938 4.627 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccccc1F 1359014865 ZSKOSQHPLLEFDH-WIYYLYMNSA-N 426.580 4.773 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCC=C)CC1 1359031002 MXMSIEIITUIOES-UHFFFAOYSA-N 425.989 4.535 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1359079642 QTLFKFAMLYMBBU-LJQANCHMSA-N 437.769 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCO[C@@H](C)C1 1359108205 FTCDXIITVPXTMU-HOTGVXAUSA-N 436.398 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(OC)CCCCC1 1359110037 YFSNKUPGKDKPIO-UHFFFAOYSA-N 428.577 4.714 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1359133462 SCYVTNYKYLSHAO-HSZRJFAPSA-N 439.648 4.560 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359213551 YZSHYARONFVUPL-QFIPXVFZSA-N 434.588 4.881 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H]1CCSC1 1359223476 MCZYPMXYGDCQSC-WMZOPIPTSA-N 432.659 4.666 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC(F)(F)F 1359244029 NDYNVQHHSRHKIU-UHFFFAOYSA-N 426.483 4.703 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC[C@H]1C)C1CC1 1359247159 UJQYDESMSIPNLX-FGTMMUONSA-N 430.980 4.899 30 10 IJEE CCC[C@H](C)N(C(=O)CSCc1ccc(C#N)cc1)c1nc(C)c(C(=O)OCC)s1 1360849471 FTJYSKXMCATTKV-HNNXBMFYSA-N 445.610 4.955 30 10 IJEE C=CCN(C(=O)/C=C\c1ccsc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1435900349 OBNYPBXMBKKZMT-RXQFDZFGSA-N 437.483 4.969 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccccc1OCc1noc(C)n1 1436641139 BYGNYWBPPCJTDB-UHFFFAOYSA-N 444.285 4.537 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cccnc1Oc1ccc(Br)cc1 1444155562 CNTCAPMLKGLPTL-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H](O)c1cccc(C(F)(F)F)c1 1448451578 FWFVSRHKQJUWON-UONOGXRCSA-N 429.719 4.951 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)c2ccc3nc(C)[nH]c3c2)cc1 1456109671 NPVYDSHNNMSOSO-UHFFFAOYSA-N 425.488 4.739 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 1456150327 PKJLOEMAAFWBMZ-HJOGWXRNSA-N 439.600 4.683 30 10 IJEE C=CC1(CC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)CN(C(=O)OC(C)(C)C)C1 1464112090 NLYFKCUEPXZNQG-UHFFFAOYSA-N 440.584 4.538 30 10 IJEE C=CCc1cc(C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)cc(OC)c1OC 1465752430 QPTXDCJFHAFPKP-UHFFFAOYSA-N 435.442 4.646 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(Nc2ccccn2)CC1 1466816411 MFCGADJLPFLQBY-UHFFFAOYSA-N 431.334 4.517 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(OC)c(C#N)cc1F 1467077387 RMYIQXKFRYHTRH-UHFFFAOYSA-N 436.256 4.828 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1c(C)noc1C)Cc1c(C)noc1C)c1ccc(Cl)cc1 1470662853 KYGMEJFVOMCRDJ-OAQYLSRUSA-N 426.904 4.636 30 10 IJEE C=CC[C@H]1CCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 1472262376 XJACVYLIKCRRLZ-KRWDZBQOSA-N 428.945 4.509 30 10 IJEE C#C[C@](C)(CC)N[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 1473488860 TVSFYSBYESQZDE-NZQKXSOJSA-N 434.521 4.790 30 10 IJEE CCOc1ccc(CN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC 1476056999 FTUKXKIDOLLZBI-UHFFFAOYSA-N 432.480 4.817 30 10 IJEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(CCC(F)(F)F)CC2CC2)n1 1492649452 CZQXALNCPAXMBG-UHFFFAOYSA-N 446.502 4.799 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)N(C)C)C1CCCCC1 1503378421 ACNDBURFHOHTMA-JOCHJYFZSA-N 434.613 4.950 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1cccc(C)n1 1507525023 YIYGHCNTAVJQFB-PKOBYXMFSA-N 433.625 4.926 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCc1ccc(Cl)s1 1507548184 RSWYLLWUSAMYFU-HNNXBMFYSA-N 447.029 4.995 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C(C)(C)C)C1 1507576933 NVASCWILUAIRNV-LAUBAEHRSA-N 426.630 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)C1 1507797670 SJCRYOZTXCNFGO-GUXCAODWSA-N 449.020 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCC(C)CC2)CC1 1507881414 QYJZBJYWNJFSPF-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@](C)(O)c2ccsc2)CC1 1507881553 WWTRRSRKLOBVEC-OAQYLSRUSA-N 432.952 4.863 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1508025853 UCGBCYJEFGKHPP-HXUWFJFHSA-N 447.549 4.665 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1CC1=CCCOC1 1508034063 SQKYSUDMSWULIF-UHFFFAOYSA-N 438.959 4.697 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1Cc1nc(C)cs1 1508035034 ZTNIIZALCCKFGE-UHFFFAOYSA-N 437.544 4.649 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 1521019072 HEGPYRGMJOEGBB-UHFFFAOYSA-N 426.475 4.742 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccn(CC(C)C)n1)c1ccc2c(c1)OCO2 1521284474 QBEBPLGMEHAZBD-UHFFFAOYSA-N 433.508 4.680 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2SCc2nc(C)no2)cc1 1523871129 JMJINTHZLLYVAQ-UHFFFAOYSA-N 437.521 4.932 30 10 IJEE COc1ccccc1Cn1cnc2cc(C(=O)Nc3nc(C)c(SCC#N)s3)ccc21 1525663446 HAMLADZSSHRFOL-UHFFFAOYSA-N 449.561 4.726 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 1525685895 VJLKPIHXWVPFOQ-HJNYFJLDSA-N 428.573 4.826 30 10 IJEE C#C[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccc(Br)cc1 1528498154 SWHNCUXKFVMKMT-QGZVFWFLSA-N 446.142 4.726 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc2ncc(I)n2c1)c1ccccc1 1533766071 HMGSGVHSERVWBI-QGZVFWFLSA-N 445.304 4.766 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 1537204495 OKFWKVQZCNUEIT-LJQANCHMSA-N 432.973 4.736 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)CC1 1537357371 SYBPCTXNJLOYOF-LGIRTZQISA-N 444.575 4.796 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1539035727 MPLQHXZOHBFOMM-FQEVSTJZSA-N 430.470 4.659 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCSC1 1539305073 OHLMQCRRRMLSCG-IBGZPJMESA-N 438.666 4.882 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1ncc(C)s1 1539343132 FTDMCLBYOXPZPP-RDJZCZTQSA-N 427.549 4.585 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)C 1539347126 OKMSIHPMXHPFTF-RDPSFJRHSA-N 431.584 4.712 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCSC2(CCCCC2)C1 1539505460 CDQXRMDURHIKNO-UHFFFAOYSA-N 442.654 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCSC1 1539538026 AFLFYBLZDDSPJP-AXHZCLLHSA-N 440.613 4.562 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC(C)C)C(C)C 1539620466 LKGGZCSLEXLXPT-CVDCTZTESA-N 442.604 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(OC(C)C)CC1 1539624739 VXFYHETWHVMXCM-UPVQGACJSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC1(c2ccccc2C)CCOCC1 1539674055 GVFBZPXRTNPTLK-UHFFFAOYSA-N 445.611 4.723 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCC1 1539944321 ANJPPGPTFIAPHO-HXUWFJFHSA-N 446.599 4.731 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1539981664 IDNSAUHDIVLSOZ-RLFYNMQTSA-N 442.457 4.679 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 1540102825 UKXDHXHOOPHFOM-UHFFFAOYSA-N 443.979 4.620 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1540121035 PPPBLNDFBISRQJ-FSYKXYQKSA-N 433.600 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCO[C@@H]1C(C)C 1540153632 IYBNLEWFKXCQRX-ZJSXRUAMSA-N 446.599 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1=CCCCC1 1540171297 XQTWMKOHQVYKHL-UHFFFAOYSA-N 433.604 4.521 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc23)c1 1543311839 RTQCHKFAJRLRBB-UHFFFAOYSA-N 443.547 4.813 30 10 IJEE CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)n[nH]2)c1C 1544321937 CBSBAWANNYJSJN-YBVWCTEOSA-N 430.556 4.773 30 10 IJEE CCC[C@H](Cn1c(CC2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1546916520 AJHNMCYQEVRHCK-XMMPIXPASA-N 433.600 4.991 30 10 IJEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)c1nccs1)C(C)(C)C 1554638353 DHOLWZRCSIVRGT-QFBILLFUSA-N 438.601 4.574 30 10 IJEE C#C[C@H](CC)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1556484640 CUDUTPATFIKKCK-LJQANCHMSA-N 426.582 4.543 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 1556726155 RVYICNKSIAJPEM-UHFFFAOYSA-N 439.397 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2c(Br)cccc2C#N)C1 1559279582 WDCWEPUVJDKPJY-CYBMUJFWSA-N 430.293 4.625 30 10 IJEE C=CCn1c(S[C@@H]([C@H]2CCOC2)C(F)(F)F)nnc1-c1ccc(Br)cc1 1559333819 JAKRPFCTCWQNQJ-JSGCOSHPSA-N 448.308 4.953 30 10 IJEE C=CCN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1559752024 QBUNQGQRMBITJK-QFIPXVFZSA-N 431.454 4.599 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 1562084262 UTNNNMXTVGRJCM-UHFFFAOYSA-N 430.955 4.841 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)CC1 1563953694 PZANHOJLCGVDMJ-RUZDIDTESA-N 425.617 4.752 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](COc3c(C)cccc3C)C(C)(C)C)n[nH]2)c1C 1566414306 WWVNSQGRTVRSEL-QFIPXVFZSA-N 449.599 4.916 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c1 1583617940 AFEKWVWSEIRGJA-DLBZAZTESA-N 429.745 4.926 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c1 1584865072 LPKIJNKUWXMUDL-UHFFFAOYSA-N 449.576 4.528 30 10 IJEE N#Cc1ccc(CNC(=O)COc2ccc3cc(Br)ccc3c2)cc1Cl 1585970003 DZZQGFNSLAQDGD-UHFFFAOYSA-N 429.701 4.823 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c1 1585977409 HZOPLAYWJLHLHX-UHFFFAOYSA-N 426.472 4.777 30 10 IJEE C=CCCCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 1587021867 RUXBGJVGZLNMOQ-KRWDZBQOSA-N 427.010 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nccn1C(F)F 1587573913 AGBAFULGBZUXJI-GFCCVEGCSA-N 446.914 4.911 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1587773890 YPOWJVWLMKRYJP-DEOSSOPVSA-N 429.568 4.808 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1587872442 ISBJZTVKQYREBM-LJQANCHMSA-N 426.611 4.591 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)C(F)(F)F 1588200400 OAUQVNSVNRXMMM-UHFFFAOYSA-N 438.881 4.659 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCOC1 1589687588 JIDGNXMSYXEPFT-INIZCTEOSA-N 439.387 4.993 30 10 IJEE C=C(C)Cn1c(N(Cc2ccccc2)Cc2ccco2)nnc1[C@]1(OC(C)C)CCOC1 1593683888 PXRJTMMTQQATAX-VWLOTQADSA-N 436.556 4.695 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1593712030 PQBYEOMRSUNMHQ-OAQYLSRUSA-N 448.615 4.563 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccccc1 1593777418 ZSQDSGYEMGNGQM-FGZHOGPDSA-N 426.605 4.816 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1594536354 XGIPNGCOQCZUMB-UXHICEINSA-N 430.980 4.963 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1594744281 MTEYTLOSMIGFQL-UHFFFAOYSA-N 435.597 4.699 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1CC 1594792965 BZZVGXPVUDUMEZ-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1594824596 MJTKKOULBALTEH-NQIIRXRSSA-N 430.568 4.542 30 10 IJEE C=CCN(c1nnc(-c2cccc3cccnc23)n1CCSCC(F)(F)F)C1CC1 1595037420 DCPRYTOGTCLCPU-UHFFFAOYSA-N 433.503 4.944 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C 1595075452 FPRKWVLFTWUNAR-UQBPGWFLSA-N 426.605 4.619 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCC1(F)CCC1 1595101147 YQNPUHGACIIYIS-UHFFFAOYSA-N 430.531 4.610 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(CC)c1 1595319573 YWAIMSVYQHFWNO-QGZVFWFLSA-N 428.968 4.727 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1Cl 1597037989 BQKMXFZLRDBSLM-LKUPVBHCSA-N 444.984 4.640 30 10 IJEE C=CCC1(C(=O)N[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CCC1 1603432727 JAMHIFKLCHRUFG-KBMIEXCESA-N 426.557 4.752 30 10 IJEE N#Cc1cnn(-c2ccc(C(=O)N[C@@H](Cc3ccc(Cl)cc3)C3CCCCC3)cc2)c1N 1611273025 COUDXAVETJBUTR-QHCPKHFHSA-N 447.970 4.901 30 10 IJEE C=C(Cl)C[C@H](NC(=O)CCCSc1ccc(Br)cc1)C(=O)OCC 1624251798 KIFYWABAMRKKNX-HNNXBMFYSA-N 434.783 4.512 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1631871375 AEKTXZSXAVZENW-CCKFTAQKSA-N 437.943 4.536 30 10 IJEE C=C(Cl)C[C@H](NC(=O)CCSc1ccnc2cc(Cl)ccc12)C(=O)OCC 1635606802 LTPUONCSXXDMGB-INIZCTEOSA-N 427.353 4.561 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)c1ccc(Cl)cc1 1637297121 QTYHGUKOGNYNQP-OAQYLSRUSA-N 438.936 4.554 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)n[nH]2)c1C 1639598630 MVMROWYHCNGHKO-SAABIXHNSA-N 443.473 4.771 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(C)cc1 1641019130 LRBGAELCMLGJJH-SFHVURJKSA-N 449.580 4.885 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 1645257493 FUJIZXDPGXCBOR-OAQYLSRUSA-N 426.948 4.985 30 10 IJEE Cn1c(SCC(=O)[C@@H](C#N)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 1651653326 DMFSNLWPNUXMRW-SFHVURJKSA-N 431.542 4.631 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)Cc3cnc(C)s3)c2C#N)C1 1652299122 DBXOUSHAWIEBPG-OAHLLOKOSA-N 430.643 4.996 30 10 IJEE C#CCN(CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)[C@H]1CCc2ccccc21 1652348027 TWVNUMROFLLEBA-IGKIAQTJSA-N 448.994 4.760 30 10 IJEE C=CCn1c(SCc2cc(CO)ccc2F)nnc1-c1ccc(Br)cc1 1652472617 ZDKFAZHPRGLKAX-UHFFFAOYSA-N 434.334 4.817 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(OC)cc1Br 1653001341 CDCRTDNGPBOWPQ-CABCVRRESA-N 437.403 4.773 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H](C)CCCCNC(=O)OC(C)(C)C 1656345816 ZVTGAHWDCZCQCB-MRXNPFEDSA-N 439.394 4.634 30 10 IJEE C=CCOc1ccc(CNC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1OC 1656626046 MDDSBHIHZNWQCH-DEOSSOPVSA-N 428.532 4.747 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)CCCC1 1658016465 YRRNAVULEOYJCF-UHFFFAOYSA-N 433.618 4.818 30 10 IJEE C#C[C@H](N[C@H](C)CC(=O)N(C)Cc1ccccc1Cl)c1ccc(Br)cc1 1658192856 GBURNQBSOSSBGF-QRWLVFNGSA-N 433.777 4.804 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 1660920590 LOPZLNSECVDBSP-UHFFFAOYSA-N 434.970 4.849 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)CC1 1665227582 DYFPXSXPLQBCQY-UHFFFAOYSA-N 428.916 4.913 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1668010848 RWVGYLZZNOVAKL-UHFFFAOYSA-N 429.586 4.713 30 10 IJEE C=CCCCCCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1673736997 JINCVBXFBBIGCK-DAFNUICNSA-N 434.606 4.538 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 1676105415 AUDVYJNANHAGHJ-UHFFFAOYSA-N 442.538 4.751 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 1677622783 VCHVGVQGJYDPIF-UHFFFAOYSA-N 437.540 4.866 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cc(OC)c1OC 1677966790 NFRSTGKRMGXHSI-FCHUYYIVSA-N 446.975 4.643 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cc(Br)ccc1OCC)C1CC1)c1ccccc1 1683508261 OXDRMVOBJHHWKH-FQEVSTJZSA-N 427.342 4.896 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)c1ccccc1 1683733792 LAOWBDBPLXSSNJ-DHIUTWEWSA-N 441.597 4.700 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCSC2)C1 1689939980 IXJHEGDKPLUVQE-NRFANRHFSA-N 433.046 4.971 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCc2ccccc21 1689976563 OTEOIKQPXBQDLB-UNMCSNQZSA-N 449.599 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C1CCC1 1690240392 FOLNCESNTPEZAG-KUHUBIRLSA-N 449.368 4.817 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCO[C@@H]1CCCC[C@H]1C 1690268470 MNFBKZCZUGCVCU-IFMALSPDSA-N 436.604 4.514 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)c1ccccc1 1690444544 JDIZZPLZSGZMPA-HSZRJFAPSA-N 449.643 4.818 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1690506171 FQSJEKMRNZRYTD-NFBKMPQASA-N 434.588 4.738 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCOC2(CCCC2)C1 1690511117 QFSZAFQJLYQULH-UHFFFAOYSA-N 442.629 4.621 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCc1cccnc1 1692911479 DDOCLIKXBWDBFD-KRWDZBQOSA-N 443.580 4.611 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)CN2CCCCC2)c2ccccc2n1 1692986372 HNVHRYFFMVPSOB-UXHICEINSA-N 445.615 4.520 30 10 IJEE CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)OCCc2sccc21 1695207212 BGQVDUUNGHTRAS-XMMPIXPASA-N 435.597 4.993 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1696220818 DKDLUISKSUBUFD-QGZVFWFLSA-N 438.601 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H](c1ccsc1)N(CC)CC 1705496207 BIYUEBNCSMQWFG-REWPJTCUSA-N 435.641 4.780 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705611946 UAVFJZAYEXUPLY-NZQKXSOJSA-N 433.556 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1705669552 PJOFAYCMTGSWJO-CTUHWIOQSA-N 444.526 4.886 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCCC 1705702217 FOWYDARTSAWUEB-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CCCCC1)N(C)C 1705711852 GNNLWXLRAATGNF-HXUWFJFHSA-N 431.028 4.906 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1705724113 LTVKMEYCEKAIKJ-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1705767157 CYDLZMVWQWSPSN-IBGZPJMESA-N 447.583 4.701 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccccn2)CC1 1705778315 RIOGMGZVSFXIHA-UHFFFAOYSA-N 425.483 4.587 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2ccn(C)n2)CC1 1705785213 ZVHZUMDMAJMADO-UHFFFAOYSA-N 448.615 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705792904 FXSOBMOPIRGIHG-OAQYLSRUSA-N 438.616 4.554 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnn(CC)c1 1705833969 ATYMBBBCXVJRIV-QGZVFWFLSA-N 428.968 4.575 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCN(C)C(C)C 1705836974 MCUXPIPVLSVKDH-UHFFFAOYSA-N 440.817 4.714 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCc1csc(CC)n1 1705861779 OMKWUHNXMKNMJL-NRFANRHFSA-N 437.613 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(C2CC2)CC1 1705871515 NAEDCXUGXPDSCS-UHFFFAOYSA-N 429.971 4.790 30 10 IJEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCC1(C)C 1711122778 AWNYKFZEABSGBQ-SFHVURJKSA-N 436.585 4.648 30 10 IJEE COCc1ccc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)o1 1712209298 AOPIXSMLYLJTAE-LJQANCHMSA-N 441.482 4.943 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)CC1 1722564308 NBDMKODCMDDYLT-SFHVURJKSA-N 426.952 4.515 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C/C=C\c2ccccc2)CC1 1722572047 JYWBWEVXEJGROB-MHAANRENSA-N 449.599 4.919 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)CCC)CC1 1722574471 LYWARHORUPFPFR-CPJSRVTESA-N 426.605 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722587514 RENOCJRRTORHAM-UHFFFAOYSA-N 448.615 4.502 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](CN(C)CCC)C1 1722592886 AZPOWLNBHWQURX-YPAWHYETSA-N 445.696 4.967 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H](C)N1CCC(C)CC1 1722656499 CUJYSHKMEORBQE-QFIPXVFZSA-N 434.632 4.661 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@H](C)c1ccc(C)cc1 1722676916 OYYHFEZNONMYBL-FQEVSTJZSA-N 428.540 4.675 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nc(C)c(C)s1 1722679170 PGKOXSYJZMTMSO-UHFFFAOYSA-N 448.596 4.562 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1722688156 OTUTYGDEGSCSKS-DHIUTWEWSA-N 437.632 4.751 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC)(CC)C2)cc1 1722705029 SDJXEWPLOIMGAF-UHFFFAOYSA-N 448.615 4.769 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)CC[C@H]1C 1726596314 BIDKTMMSQRGYIY-HZPDHXFCSA-N 440.473 4.761 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1740587032 VZPIEJKSRQUXAF-NRFANRHFSA-N 436.581 4.614 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740632940 YMPIVJNYFBMDSE-LADGPHEKSA-N 444.623 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)CN1CCCC1 1740728211 QVXRTIAYKPOUFQ-GAJHUEQPSA-N 446.426 4.976 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740757676 QXBUGKKZNHWQDE-NYUBLWNDSA-N 446.542 4.662 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCCOC2)CC1 1740832334 CGOMXNBMUQPWLQ-TZIWHRDSSA-N 440.588 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740853043 WLZDAGOWKPKXOI-OAQYLSRUSA-N 438.616 4.899 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnn(CC)c1 1740858695 XSHRBPLIUWPUNA-UHFFFAOYSA-N 443.393 4.917 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC1 1740915041 RZOLOLJPYIEDMO-UHFFFAOYSA-N 437.345 4.510 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCO[C@H]1CCCC[C@H]1C 1740918686 SFILMUWIJRIHSB-JRFVFWCSSA-N 438.616 4.960 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)cc1F 1740933911 KJMZUMJRUDEQJN-TZIWHRDSSA-N 428.552 4.571 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1N(C)CCCC1(C)C 1748641407 GQMZMYBAXQUSSU-UEXGIBASSA-N 444.023 4.650 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCOC1CCCCCC1 1748829865 LKMXOJUZVMEOAV-UHFFFAOYSA-N 430.596 4.560 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC(c2ccccc2)C1 1748915027 NNNFSGYSYSOYQD-UHFFFAOYSA-N 438.373 4.689 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1749103599 CUHMGJABWIPJHZ-INIZCTEOSA-N 435.410 4.851 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749395369 HXJSXHJOTBDONI-HXUWFJFHSA-N 444.023 4.503 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCC1(C)C 1749596323 VPXRFFXNQMLTOV-OAQYLSRUSA-N 434.588 4.596 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749686675 DBTLJWXKWXYMOY-RTWAWAEBSA-N 437.632 4.715 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760097334 CYVWZCWWSZCULQ-GBWYYYKWSA-N 441.595 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)N1CCCCC1 1760103735 LEPGWJKBPYYXLV-IBGZPJMESA-N 439.673 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1760122866 UAEJUQJZKDZYJR-YADHBBJMSA-N 436.600 4.814 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ncc(CC)s1 1760228666 NRYZFZYHLIZXLB-OAHLLOKOSA-N 425.627 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC)CC1 1760316153 MWTTUEOPYOPGBG-APWZRJJASA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccnc1OCC 1760331285 GVNITHKOKYJHHV-UHFFFAOYSA-N 428.540 4.738 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760422543 JZAMBRCWAGMFAF-LJQANCHMSA-N 433.478 4.721 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760434669 JHKOGQRLGQODCH-KRWDZBQOSA-N 426.952 4.715 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1760436025 FEBKGVUKGLYEKK-UHFFFAOYSA-N 440.592 4.532 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCSC1)C1CC1 1760475474 IPWIGEOHKIRSKA-QGZVFWFLSA-N 430.643 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1c(CC)nn(C)c1CC 1760492518 WDAYKXFTONWIJJ-UHFFFAOYSA-N 441.583 4.578 30 10 IJEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)CCC1 1769325152 APRILQLSEVVNQK-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE Cc1ccc(COc2cccc(/C=C3/SC(=Nc4nnc(C)s4)N(C)C3=O)c2)cc1 1772739937 WPCQGFWTIZWTPS-PTOVGEMASA-N 436.562 4.968 30 10 IJEE CCOc1ccc(/C=C/C(=O)Nc2ncccc2OCc2ccccc2C#N)cc1OC 1858739469 ONARDWOELBJRER-ACCUITESSA-N 429.476 4.591 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1862384521 TZEIXWCDSLPDAL-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C 1862403713 COMSDJNVBFAODP-OAQYLSRUSA-N 438.480 4.536 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1C 1862411576 KZYVLDMLGIATCB-JOCHJYFZSA-N 442.506 4.583 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862431948 SCDKVNQJQXLYKA-DYESRHJHSA-N 425.912 4.660 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2cccnc2)c1 1862456084 JOVBREWXZQZMPH-NRFANRHFSA-N 438.405 4.586 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1)c1c(F)cc(F)cc1F 1862457728 WGPZBGJWAXXPHV-FQEVSTJZSA-N 431.410 4.721 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(F)c2)ccc1F 1862501524 DXDZCLBKXLPLOD-HSZRJFAPSA-N 449.453 4.931 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1Cl 1862503095 PNBCNKKJKCTOGK-OAQYLSRUSA-N 444.934 4.708 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862560474 IKPKBBKIMKAMBW-HSZRJFAPSA-N 427.504 4.566 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c1 1863076775 FONIXQAMPAYBRG-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE CCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Br)cc2)C1=O 1863202930 WFGHDLWOKLAMQB-UHFFFAOYSA-N 438.325 4.703 30 10 IJEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(Cc2ccc(OC(C)(C)C)cc2)C1=O 1863686409 AWEGDRGBJXJSCQ-UHFFFAOYSA-N 448.563 4.707 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2ccc3c(c2)C(=O)CCC3)c(Br)c1 1866057723 STXMWOZLYWJEIE-UHFFFAOYSA-N 448.114 4.855 30 10 IJEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c1 1870145465 BFVJZTWMKJNTJA-UHFFFAOYSA-N 431.540 4.851 30 10 IJEE CCCCCCCOc1cn(CC)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870411103 TWQSNMAJYMRMEO-UHFFFAOYSA-N 425.617 4.535 30 10 IJEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871006673 QJDPXRASILRREJ-UHFFFAOYSA-N 427.548 4.511 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C35C[C@H]6C[C@@H](CC(O)(C6)C3)C5)CO4)C2=O)cc1 1871353798 WVWXCQWKSIYKQK-QXOMQBMXSA-N 443.543 4.847 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871873808 KANLGMPHTIENPU-HTAPYJJXSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872479704 RKOBVMJZUKURKM-NRFANRHFSA-N 434.989 4.887 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1cccc(C)c1C 1872707747 GCOKIEJAKAHRRW-UHFFFAOYSA-N 430.549 4.574 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCCCN(CC)CC)ncnc21 1873626306 SKOPPKXIVDKNNF-UHFFFAOYSA-N 434.588 4.630 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657452 DOMKXDDLILNERG-IBGZPJMESA-N 446.599 4.952 30 10 IJEE CCOc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(N(CC)CC)cc2)cc1 1874234512 LTIITFHKNOAGKQ-LFVJCYFKSA-N 439.585 4.706 30 10 IJEE Oc1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1[C@H]1CCCO1 1874451917 VAHRSDHJAOFZIM-TYLRVVQJSA-N 432.908 4.802 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCCC2)c1 1874454429 LJFSDXFEBFHELP-MFKUBSTISA-N 449.580 4.866 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccc(F)cc1F)Nc1ccc(F)cc1 1874495143 WYJJUSSKPXACBA-OPEKNORGSA-N 445.470 4.576 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874533821 CQJOYKMTRDSFRI-STPJHCLOSA-N 435.597 4.736 30 10 IJEE Fc1ccc(COc2ccc(/C=N/n3c(S)nnc3Cc3ccccc3F)cc2)cc1 1874561830 MHJSJNWZURMRIE-VULFUBBASA-N 436.487 4.897 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)COC 1875110865 GRCYEHJQBVBCFY-IZZDOVSWSA-N 445.309 4.634 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 1875182390 ASBNXCANHUEDKR-BQYQJAHWSA-N 446.503 4.843 30 10 IJEE C=C[C@@]1(Oc2cc(Br)nc(C(C)C)n2)CCCN(C(=O)OC(C)(C)C)C1 1881883278 RAAPFXKCBHJPNZ-LJQANCHMSA-N 426.355 4.697 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1sc(Cl)cc1I 1889589693 UIOLHRONGLCSOV-JTQLQIEISA-N 438.718 4.994 30 10 IJEE CN(C)CC#CC1CCN(C(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3)c2)CC1 1891181070 MBVQCIQTJYXZPI-UHFFFAOYSA-N 430.470 4.915 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1cc(Br)c(Br)s1 1922047694 VCSHAYLWOBAHCW-OAHLLOKOSA-N 446.160 4.649 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1scc(Br)c1Br 1930758291 AZKIWPKYHIDBDK-SNVBAGLBSA-N 434.153 4.708 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3ccc(Br)c(Cl)c3)C2)OC1(C)C 1965481885 QLDPXEGZNLEJOU-CYBMUJFWSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC12CCCC2 2037760757 XAXJVYKYCHSBSK-HOYKHHGWSA-N 449.592 4.618 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NC 2041173447 CCEOUQIXYFEHAB-DLBZAZTESA-N 429.786 4.540 30 10 IJEE Cc1[nH]nc(NC(=O)C=Cc2ccc(OCC#N)cc2)c1-c1cccc(Br)c1 2042436603 CPDSMZDVSDKGIU-UHFFFAOYSA-N 437.297 4.702 30 10 IJEE CC[C@H](c1ccc(OC)c(F)c1)n1nc(C(C)C)c(C#N)c1I 2080102296 RKWVTHXJPSBMRO-CQSZACIVSA-N 427.261 4.630 30 10 IJEE CCc1nn([C@H](c2ccc(SC)cc2)C(C)C)c(I)c1C=NO 2080106250 WDDYZSLCUSQERG-INIZCTEOSA-N 443.354 4.826 30 10 IJEE Cc1ccnc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2190478358 LHPHSIRTOFFZBT-GSPCLOLRSA-N 448.416 4.509 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(C)nn(C)c2Br)cc1 2197531722 GMLXCZUHAWBQPY-HNNXBMFYSA-N 435.322 4.506 30 10 IJEE CC(C)(C)OC(=O)NC1(CNc2cc(Br)cnc2C#N)CCC(F)(F)CC1 2201480290 LKGGLGDCNMWREB-UHFFFAOYSA-N 445.308 4.600 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2235720686 PWXMNGHVMDRPSP-HBFSDRIKSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2nc(NC(=O)c3cc(Cl)c(Cl)s3)ccc2Cl)OC1(C)C 2241116054 YBEFQHZBKHOOQH-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 2249368411 RAFHOGKGQRURPN-KSNQQSQUSA-N 433.593 4.999 30 10 IJEE Cc1cc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)ccc1NC(=O)OC(C)(C)C 2255348184 BXWWVELHSFKUOS-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE C=CC[C@@]1(COc2ncnc(Cl)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2272094235 ZGLGPJDLFMEGOA-GOSISDBHSA-N 446.773 4.865 30 10 IJEE C=CCC1(COc2ncnc(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2272150882 SEXWQONGRGAUGI-UHFFFAOYSA-N 426.355 4.520 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(c2c(Br)cccc2C#N)CC1 2285222742 NBGVWHBMAGFFEI-AWEZNQCLSA-N 448.283 4.699 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1ncccc1NC(=O)OC(C)(C)C 2296216269 IXMNZWCCKRVLGO-QGZVFWFLSA-N 430.346 4.893 30 10 IJEE CC[C@@]1([C@H](C#Cc2cccc(Br)c2)NC)CCCCN1C(=O)OC(C)(C)C 2296220705 AXAIPYWNDAKPDI-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@@H](N)C#Cc2cccc(Br)c2)CC1 2296224192 HUWPDPFZMSTRMM-BPXKWBHBSA-N 435.406 4.992 30 10 IJEE CCC[C@@]1([C@H](N)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296232989 SPHHFOJYJKYBPF-DENIHFKCSA-N 435.406 4.945 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1(C)CC1 2296286451 LNBWTEQOPSMQKQ-OALUTQOASA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1(C)CC1 2296286453 LNBWTEQOPSMQKQ-RTBURBONSA-N 435.406 4.862 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)cc1OC 2297746784 BTXXEIQRRMUCAU-QFIPXVFZSA-N 449.890 4.984 30 10 IJEE CCCN[C@@H](C#C[C@H]1CC1(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301441155 SJOFOYPSEGMGCL-RJGXRXQPSA-N 428.617 4.904 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2306619056 YVHKCUHIRBCXOX-CJFMBICVSA-N 430.589 4.993 30 10 IJEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(OC)c1OC)C2=O 2324121696 RIMYOIXULWTCGC-UHFFFAOYSA-N 425.525 4.956 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4cccc(C)c4C)CC3)C2=O)o1 2324183255 AYGBMRJFJBWZNL-UHFFFAOYSA-N 444.531 4.849 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OCCCO 2324416509 FYZPDIDKPGNSEZ-UHFFFAOYSA-N 446.927 4.752 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1 2325719634 DEAMGWHQEKTUCY-UHFFFAOYSA-N 442.467 4.957 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC(C)=O)cc1 2326358185 JUYBMPFFMIMGEB-UHFFFAOYSA-N 428.945 4.984 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cn(CC)c2ccccc12 2326821084 NFIIPBPCUNBXLV-UHFFFAOYSA-N 434.525 4.898 30 10 IJEE CCCOc1ccccc1C=CC(=O)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)CCN1 2328082185 QNSLHIMYKNIPFC-LEWJYISDSA-N 441.959 4.653 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccco1 2328232822 CYUVUVJDLRPNFX-UHFFFAOYSA-N 438.484 4.772 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cc(OC)ccc1OC 2328799948 DKVSSIJQAVBBIN-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CCCOc1c(C=Nn2c(COc3ccccc3)nnc2SCC)cccc1OC 2329902587 BOPMPSLHFUPBEA-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cc(C)ccc1O 2330867259 HPDUIROYLWQAFK-UHFFFAOYSA-N 445.633 4.504 30 10 IJEE OCCCSc1nnc(C2CCCC2)n1N=Cc1ccc(OCc2ccccc2)cc1 2331090929 YNQBIAANJCSUEF-UHFFFAOYSA-N 436.581 4.871 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)NC2CCCCC2)nnc1C1CCCC1 2331096961 NBFYHSBYDQQGSK-UHFFFAOYSA-N 425.602 4.667 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2C(=O)O)c1 2331138446 PDRWFQYIIAXSBU-UHFFFAOYSA-N 434.443 4.786 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)[C@@H]1CCCO1 2331281636 XTEROTVYDRKPDY-IBGZPJMESA-N 445.309 4.747 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1N=Cc1ccc(C(F)(F)F)cc1 2331352313 GKHGLLOLUIFGEO-UHFFFAOYSA-N 428.480 4.567 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c1 2331688866 LKCMWRAVGMBJCC-UHFFFAOYSA-N 441.513 4.501 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1c(F)cccc1Cl)Nc1ccccc1F 2331723854 FLRKDVQBVFDXEX-UHFFFAOYSA-N 447.898 4.700 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585616 RKTXMJJLNJEZCS-OALUTQOASA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2339600304 RHRUZJUZIFITGS-IVANOHRISA-N 442.365 4.503 30 10 IJEE N#CC1([C@H](O)c2sc(Cl)cc2I)C[C@@H]2CC[C@H](C1)S2 2340981031 FIRUFCPBXZBRHG-KANNBZMZSA-N 425.744 4.607 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H](CN(c3ccc(Br)cc3C#N)C1)C2 2357628901 SRWFARVCBXNNHQ-YCRPNKLZSA-N 434.378 4.842 30 10 IJEE CCCN(c1cc(B2OC(C)(C)C(C)(C)O2)cc(C)n1)C1CCN(Cc2ccccc2)CC1 2362093087 CMWLBONFBGAZGB-UHFFFAOYSA-N 449.448 4.570 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(C)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2363133236 PYXRBYXGEBSTAK-IBGZPJMESA-N 437.422 4.929 30 10 IJEE CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3cccc(C)c3)c3ccccc32)cc1 3041380 XHIPMOYDCVJJLQ-VYIQYICTSA-N 428.561 4.795 30 10 IJEE C/C(=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccc(Cl)cc1Cl 8872001 ZJGNSTBZRLNYRZ-JFLMPSFJSA-N 448.402 4.995 30 10 IJEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OC 21725541 IHAOUGJHMKXVGJ-HNNXBMFYSA-N 432.505 4.530 30 10 IJEE CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1c(=O)cc(C)c2cccc(OC)c21 32527876 ZGQYSETVJPPWRZ-SFHVURJKSA-N 435.549 4.720 30 10 IJEE O=C(/C=C\c1cccc(NC(=O)C(F)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)c1 33420540 UJUPDXQVOWPXGB-FPLPWBNLSA-N 430.304 4.584 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)c1 39839113 PNRRCSKHAGHTQI-HSZRJFAPSA-N 433.504 4.718 30 10 IJEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(N)c1[N+](=O)[O-] 40587446 WNDDKYQDOMOUCG-AWEZNQCLSA-N 429.267 4.981 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C(C)(C)Cc2ccccc2)c(C(=O)OCC)c1C 62039188 KQAYVDRSAHGNRO-UHFFFAOYSA-N 429.538 4.783 30 10 IJEE CC(C)Cc1ccc(C(=O)C2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)cc1 113177113 DPSVHAWKLYURSD-UHFFFAOYSA-N 437.971 4.944 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccccc2O)cc1 169923726 JGCKMADPKJJSMJ-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934700 KPPZFMOHJZHGJD-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)s1 169961149 RMADKQGWLBNCHL-HXUWFJFHSA-N 434.517 4.865 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccc(O)cc1 169963193 XEJOWUDFQZYMDK-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccc(C)c2)c1 169970939 JHAMXPKBPSYXPW-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)c1 170066660 KENGCEXPRRCIJT-JTHBVZDNSA-N 435.520 4.576 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(F)c(F)c1 170088381 PWWUFARMYGLSDN-QHCPKHFHSA-N 447.437 4.991 30 10 IJEE CC(C)Oc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 170179873 ZALGRBWFELQVEL-UHFFFAOYSA-N 425.941 4.967 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccncc2)cc1Cl 170209330 VPLTVCICGUZVRT-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 170265003 VINHFFIDRFVFOZ-QHCPKHFHSA-N 432.520 4.734 30 10 IJEE CC(C)[C@]1(C)CSC(=Nc2ccc(I)cc2Br)N1 398455549 AUVIKTHNBVMKDN-ZDUSSCGKSA-N 439.160 4.792 30 10 IJEE CCCCOc1c(OC)cc(/C=N\n2cnnc2SCc2ccccc2)cc1[N+](=O)[O-] 526799600 IEBGKCWUXXFTQH-QRVIBDJDSA-N 441.513 4.548 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526804392 QPTZAALYIFAIGB-FMCGGJTJSA-N 430.961 4.994 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 549251212 PVAODDMHQWCFLT-HKUYNNGSSA-N 445.995 4.533 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](c2cccs2)C1 549292869 XYFFKTRHJQSNLZ-HXUWFJFHSA-N 433.537 4.816 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccsc2)C1 563228232 SJTKBTUTWUAZHF-JXFKEZNVSA-N 428.533 4.773 30 10 IJEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)c(F)c1 609255743 UZBSAFRLWWEOFC-UHFFFAOYSA-N 439.899 4.757 30 10 IJEE O=C(N[C@@H]1CCC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 681095152 ULLNPKLNEKLTHK-ZIAGYGMSSA-N 446.338 4.995 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2sc3cc(Br)ccc3c2Cl)c1 729824560 GNLUDSGXBZTRSK-UHFFFAOYSA-N 447.741 4.667 30 10 IJEE N#CCOc1ccc(Cl)cc1CN(Cc1ccco1)S(=O)(=O)/C=C\c1ccccc1 735303219 NZTJLFIRNCNCCW-UVTDQMKNSA-N 442.924 4.838 30 10 IJEE C[C@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl)c1cccs1 762441922 WGMXADIWQBFWPJ-ZDUSSCGKSA-O 442.973 4.828 30 10 IJEE Cc1ccnc(C2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)n1 775600573 WEINJTPQJOQXBM-UHFFFAOYSA-N 445.498 4.786 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)OCc3ccc(C#N)cc3Br)o2)cc1 778110847 QJXFRZBJMXFULK-UHFFFAOYSA-N 441.281 4.660 30 10 IJEE C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccc(C#N)cc1F 781420714 CNLVSBHRTWTQTJ-ZHRRBRCNSA-N 426.536 4.680 30 10 IJEE N#Cc1cc(N(Cc2ccccc2)C[C@@H](O)c2ccsc2)nc2ccc([N+](=O)[O-])cc12 785834480 GDHZXZLYKUZPGQ-JOCHJYFZSA-N 430.489 4.816 30 10 IJEE CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1C(F)(F)F 790157627 IJVLYHODRIAFIV-UHFFFAOYSA-N 435.265 4.708 30 10 IJEE C[C@@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 811417946 DLGUIIHIHHBWKN-MRVPVSSYSA-N 444.381 4.589 30 10 IJEE CCN1C(=O)COc2ccc(/C(=N/OCc3ccc(Br)cc3)C3CC3)cc21 821232865 NCRLHOPUXYRJDU-XTQSDGFTSA-N 429.314 4.525 30 10 IJEE CC(C)c1c(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cnn1-c1ccccc1 913379768 FGNZAYIWSMDEAK-HNNXBMFYSA-N 448.548 4.602 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1)c1ccccc1 1084254519 SQYJXXGFQAUOFK-UHFFFAOYSA-N 448.474 4.781 30 10 IJEE Nn1c(NN=Cc2ccccc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 1084536128 IZOMEOFIWWGFJN-UHFFFAOYSA-N 427.748 4.690 30 10 IJEE C=CCn1c(CCCc2cccs2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1116923545 BUKJCYAIESCINW-MRXNPFEDSA-N 435.018 4.994 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ncc(C(N)=O)cc1Cl)c1ccc(C)c(C)c1 1124537396 SQIOIZKYRCNXJB-UHFFFAOYSA-N 449.938 4.863 30 10 IJEE C=CCn1cc(C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nn1 1127457988 JARUGHPUYGKVNP-GFCCVEGCSA-N 446.273 4.535 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Oc2ccc(Cl)cn2)c1 1136488081 FUGIVGLAESBQRN-UHFFFAOYSA-N 434.927 4.603 30 10 IJEE C#CCN(CC(=O)N(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C)C(=O)OC(C)(C)C 1136882183 FLOUMYGKYAKETH-GOSISDBHSA-N 441.597 4.817 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)CC1 1155857779 MZAJMOFDZOSVOA-UHFFFAOYSA-N 445.441 4.760 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(Br)cc3C#N)CC2)CC1 1170980213 GBUKSSPZXGLHTE-UHFFFAOYSA-N 448.405 4.934 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1 1184578363 VNNGQFRYCZYYHU-UHFFFAOYSA-N 434.341 4.945 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)cc(OC)c1OC 1206781056 MYPDJFGYCJAFAV-UHFFFAOYSA-N 435.402 4.914 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 1215512606 PVTJMRNVFPVEBX-UHFFFAOYSA-N 435.430 4.551 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCSC2(CCCCC2)C1 1286329212 UAEQBSMCQYVAHB-UHFFFAOYSA-N 438.641 4.937 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1286522929 QHDBVXGSYLWZGP-WFIHMLKPSA-N 433.644 4.769 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)C2(CCC2)C1 1286544997 QLSZUCXDUFWTQH-ZDUSSCGKSA-N 436.423 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1286571618 PJQYLCLKPFSFAW-GOSISDBHSA-N 429.528 4.596 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCC[C@@H]2C)CC1 1286657291 WFGATXIYDJSBAB-RBBKRZOGSA-N 437.632 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1286676844 SSXYWRHTVRLUGC-QFIPXVFZSA-N 430.568 4.506 30 10 IJEE C=CCCCn1c(N2CCc3c(F)cc(F)cc3[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286706005 LIAJFHAKRHUFFD-XDHUDOTRSA-N 446.542 4.687 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1Cc1cccc(NC(=O)CC(C)C)c1)C1CC1 1286733772 IPYXXOUFGGUCOF-UHFFFAOYSA-N 430.556 4.528 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CCN1CCCC1 1286747435 LSTOTBQUJRYMOD-UHFFFAOYSA-N 428.005 4.948 30 10 IJEE C=CCn1c(N(Cc2ccco2)Cc2ccc(C)s2)nnc1[C@@]1(OC(C)C)CCOC1 1286778225 VQYJJVCORQVXBL-HSZRJFAPSA-N 442.585 4.674 30 10 IJEE CCc1ccc(Cn2c(-c3ccc4ccccc4n3)nnc2N(CCC#N)CCOC)s1 1292558984 BDZXXZDYCGXRSC-UHFFFAOYSA-N 446.580 4.532 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1(C)C 1296930239 DNBAJFANYWOOHP-NHCUHLMSSA-N 439.604 4.519 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1OC 1298754468 BADPSIGYXPSJRS-JZPMRZCISA-N 429.516 4.864 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1300348687 OPRUSOTWPVMHQI-SFHVURJKSA-N 430.955 4.794 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](C)(CC)C1 1300393896 ILFARFAQCQPXLJ-NRFANRHFSA-N 431.378 4.756 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1sccc1C 1300516142 ISFDHRYVOAJWPX-QGZVFWFLSA-N 434.634 4.817 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@H]1CCCCO1 1300565674 TXPJNPHLDKDBTG-LJQANCHMSA-N 428.939 4.550 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1300751556 LSVJJHFDCPSECD-MSOLQXFVSA-N 433.021 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1c(CC)noc1C 1300785643 ASFVHZOEVKTYGK-RXFWQSSRSA-N 447.583 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300876568 UATQWWMYYHLLQO-ZEOWEXQCSA-N 442.579 4.878 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1300970215 LVTNWEVSAOZUSE-MYDTUXCISA-N 443.680 4.864 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1301072433 IQVUUTLKTWDBTC-UHFFFAOYSA-N 444.645 4.612 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)s2)CC1 1301109547 KYSHZGVBJUJDPV-UHFFFAOYSA-N 432.391 4.856 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1301112256 ONQOPGHIYVVFLP-ROUUACIJSA-N 440.588 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCN(C)C(=O)OC(C)(C)C)CC1 1301119787 WKCSKGZDJNFIIB-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1301164902 XVYBQKJGDFOODV-NRFANRHFSA-N 449.624 4.880 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](COC(C)C)C1)c1ccccc1 1301165827 LEDNZFDMDLLMBD-DHIUTWEWSA-N 440.632 4.857 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1301207626 BOQPTSOADBTREP-UHFFFAOYSA-N 441.645 4.546 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](OC)C(C)(C)C1 1301208839 GKWLWVBFACTLMZ-KRWDZBQOSA-N 437.357 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CSCCS1 1301397591 XKJCQAPZIJJVDM-FQEVSTJZSA-N 430.643 4.501 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1301438610 VMKPATXPQXPOEP-LJQANCHMSA-N 437.632 4.806 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1CC(=O)Nc1sccc1C#N 1307608897 HXWFMQIPUSUWMA-GOSISDBHSA-N 436.503 4.568 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNCc1ccc(OCc2ccc(Br)cc2)c(OC)c1 1308442695 PEKNIQPYURHGJR-ICSRJNTNSA-N 432.358 4.717 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](c2ccccc2F)[C@@H](C)O)cc1OCC 1308454536 HIRKCSVZLCDLHF-VLIAUNLRSA-N 438.337 4.763 30 10 IJEE CC1(C)Cc2c(Br)cccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 1309533702 FJRTUKHZWPCWQD-KRWDZBQOSA-N 439.762 4.576 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CCCC1 1310682230 UMTLTERUMJVTPL-UHFFFAOYSA-N 442.585 4.672 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1 1355910878 LFGPNBRVECMFIO-XMMPIXPASA-N 429.564 4.521 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1358935965 YMOXGTQZQYTGJB-NHCUHLMSSA-N 426.630 4.932 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCCC 1358953874 MXWBXYISLZQAQC-HXUWFJFHSA-N 446.064 4.948 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)ccc1F 1359003580 PXQLXMPZYBFEHX-OAHLLOKOSA-N 426.536 4.917 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1=CCCCC1 1359009548 SEKFPDCKHXRGEB-UHFFFAOYSA-N 441.620 4.743 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)c1nc(C)cs1 1359013856 NYDAYTOIDRKWPQ-HNNXBMFYSA-N 429.977 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)OC(C)(C)C1 1359091698 QTBATAJHVPNSMR-IZBOUPIGSA-N 438.616 4.805 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCSC(C)(C)C1 1359127578 UXZLVHKHNOEMKS-UHFFFAOYSA-N 437.613 4.726 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCOC(F)(F)F)CC1 1359160495 WNHCTEQHLAEYID-HNNXBMFYSA-N 428.430 4.640 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2COCCC)CC1 1359180927 YMPUPSZSBHBYQJ-UHFFFAOYSA-N 431.584 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(CCC)CC1 1359185281 QLQRAXLHYRBMAN-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCO[C@H](C)C1 1359199786 HUTMBFKYDWNKSE-MRXNPFEDSA-N 449.393 4.688 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC=C(C(F)(F)F)CC1 1359203177 JVIJDXDPOVRFGD-LJQANCHMSA-N 434.462 4.846 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1359224598 WZRHFUWMAGHEFP-OAQYLSRUSA-N 434.371 4.975 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(C(C)C)C1 1359264680 MCGIAWUVHBGEMT-TZIWHRDSSA-N 429.634 4.504 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359276937 WWRAHOUTGYSGEQ-FGZHOGPDSA-N 433.600 4.894 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccccc1OC 1359341047 KFPDMGLLDQFPGN-NRFANRHFSA-N 435.597 4.918 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2Cc2ccccc2C(F)(F)F)C1 1360783086 CGKZQDPBJKEGPZ-NRFANRHFSA-N 426.446 4.537 30 10 IJEE C=CC[C@]1(C(=O)N2CCN([C@H](CC)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1361193457 VNHWUQGAEKYIFB-ATIYNZHBSA-N 441.616 4.628 30 10 IJEE C#C[C@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1ccc(Br)cc1 1436650680 CRNYXBSKZXHTML-SFHVURJKSA-N 433.733 4.801 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3cnc(-c4cccc(Cl)c4)s3)CC2)c1 1437238732 AHMHREVIPXVHNJ-UHFFFAOYSA-N 436.968 4.730 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 1441496086 OMCOXXAEHBXZCK-IBGZPJMESA-N 444.963 4.861 30 10 IJEE Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 1448458767 DSHQTEASJPVCFJ-VWLOTQADSA-N 437.503 4.501 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 1452961581 FXIWRRVSEJUECK-UHFFFAOYSA-N 444.318 4.647 30 10 IJEE C=CCn1c(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nc2cc(Cl)ccc2c1=O 1458060059 FHWDKWAHBCPRMA-UHFFFAOYSA-N 449.879 4.715 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)c1ccc(F)c(F)c1 1459180774 FYRSMZZLQIGZGK-ZWKOTPCHSA-N 426.916 4.868 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1c(F)cccc1F 1459419277 PBUWQVIAIFWLEX-GFCCVEGCSA-N 427.264 4.882 30 10 IJEE C#C[C@H](NC(=O)c1cncc(-c2ccc(OC)cc2C)c1)c1ccc(Br)cc1 1460783613 DOEHVIAVUUURSD-QFIPXVFZSA-N 435.321 4.932 30 10 IJEE CCOC(=O)c1c(NC(=O)C[C@@H](C)Nc2cc(C#N)ccc2OCC)sc(C)c1C 1462069767 HTFFIBJOJNNLFH-CYBMUJFWSA-N 429.542 4.641 30 10 IJEE C=C[C@H](COC)NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1466230666 XXIKNWQXAQORKG-VXGBXAGGSA-N 438.290 4.828 30 10 IJEE CC(C)(C)c1cc(NC(=O)NCCc2cc3ccccc3[nH]2)n(-c2ccc(C#N)cc2)n1 1466519635 AUXOHYBJNWQKOG-UHFFFAOYSA-N 426.524 4.887 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 1466816149 GRNCFIKJHZCEOG-UHOSZYNNSA-N 437.378 4.951 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC(F)F)c(OC)c1)c1ccc(Br)cc1 1467067393 MXSCKVDILAEYKS-AWEZNQCLSA-N 425.229 4.555 30 10 IJEE C=CCC(C)(C)CNC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1468398061 WJASQUPZOFSYBN-UHFFFAOYSA-N 441.984 4.719 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1471983603 DWAMXFCVQLEZPR-QFIPXVFZSA-N 439.519 4.616 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 1476429310 DJJKUKGOQKXJRT-UKILVPOCSA-N 443.522 4.627 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)Cc3ccc(OC(F)F)c(OCC)c3)cc2n1 1477121459 PUEVFKJHBDGCOY-UHFFFAOYSA-N 430.455 4.886 30 10 IJEE C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2Br)C2CCCC2)CC1 1477803405 SMLUYNPWHFFWDI-UHFFFAOYSA-N 434.422 4.944 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 1478710265 BCVLBCRPUWOFAC-UHFFFAOYSA-N 425.548 4.839 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(C)CCCOc1ccccc1 1507779684 DYECWWFSLVDBTA-UHFFFAOYSA-N 431.334 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@H](F)C1 1507817488 JFDWGZOZJSCQED-WMZOPIPTSA-N 432.540 4.512 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccsc1 1507839485 RYMAIQUWYLFOLC-UHFFFAOYSA-N 434.569 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@](C)(OC)C1 1507920100 SFWZGOWUFNQTMP-RUZDIDTESA-N 426.605 4.680 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N(CC)CC)C1CC1 1507987408 BFOBHQXUTZDPCN-INIZCTEOSA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCC 1508009486 PYFCCWVHKHCEHM-QFIPXVFZSA-N 446.624 4.945 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1cnc(C)s1 1508011607 UEOSEIMYLNWZQP-UHFFFAOYSA-N 427.624 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1CC1(N2CCC(OC)CC2)CCCC1 1508012851 FKGPUGDSHZAQIN-UHFFFAOYSA-N 435.616 4.547 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(C#N)o1 1508028932 WUIOAHQPKXAUBP-UHFFFAOYSA-N 427.508 4.849 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCO1 1508029095 YAECPERPGNNADS-GOSISDBHSA-N 430.911 4.745 30 10 IJEE CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl)C(C)C 1509369733 HEDCFEWYXBNOQI-UHFFFAOYSA-N 438.963 4.815 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc(Br)ccc2s1 1515569140 FLYIJBFCVYORFJ-UHFFFAOYSA-N 442.382 4.739 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCSC(F)(F)F 1518000859 GBCWNBNKZMRKTD-NSHDSACASA-N 433.887 4.598 30 10 IJEE C=CCC[C@@H](NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 1519590098 QJFQVLPSRSIYKO-NORHQAJESA-N 430.426 4.873 30 10 IJEE C=CCC1(CNC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)CCCC1 1521322524 DCBQWDZXCXFMFZ-NRFANRHFSA-N 425.573 4.856 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cccc(C#N)c1)c1ccc2c(c1)OCO2 1523443590 JLVDMTAOEINONX-UHFFFAOYSA-N 426.472 4.628 30 10 IJEE CC[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1cc(F)cc(Br)c1 1523557833 HPWIMIFMYJOGIG-KUHUBIRLSA-N 448.311 4.693 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3c(Br)cc(C)cc3C2)cc1OC 1523838650 VUBYEZNMZIHEOP-SOFGYWHQSA-N 442.353 4.929 30 10 IJEE C=CCN(C(=O)/C=C/c1ccc(OCCN(C)C)cc1)c1nc(-c2ccccc2)cs1 1524296084 OTIXGPPRDFHNAB-NTCAYCPXSA-N 433.577 4.983 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(C(N)=O)c(Cl)cc3Cl)c2)cc1 1525714179 HDQIAHRQNCKWGQ-UHFFFAOYSA-N 440.286 4.795 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(N3CCN(CCC)CC3)c(Cl)c2)cc1 1526718899 MYMMCYFJRXNDFC-UHFFFAOYSA-N 425.960 4.526 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 1527423942 YSKFBKPMQKQBDT-UHFFFAOYSA-N 439.490 4.908 30 10 IJEE C=CC[C@@]1(C(=O)N(C)c2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1528213067 INRUNDKXKQRZGW-FQEVSTJZSA-N 441.341 4.897 30 10 IJEE CCc1c(C)sc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1C#N 1529661475 GEINLZBPHNUPOY-UGSOOPFHSA-N 436.364 4.956 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(COc2ccccc2OC)o1)c1ccc(Br)cc1 1535483369 JFMNXBLAVRTIKI-GOSISDBHSA-N 440.293 4.734 30 10 IJEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccc(Cl)cc1F 1535505589 YIJCIRBMYABNLD-QFIPXVFZSA-N 441.911 4.557 30 10 IJEE C=CCN(C(=O)c1sc2ncccc2c1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1538618178 DVMAUFHAQRHIMT-QGZVFWFLSA-N 428.941 4.752 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCSC3(CCC3)C2)nnc1-c1ccc(Cl)cc1 1538862427 JJGFWZJLYOZKRS-QGZVFWFLSA-N 449.045 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CC[C@](C)(CC)O1 1538992777 YGWPOLJODFUVGP-NNPDTBDGSA-N 440.588 4.548 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1539148533 PUNZAQRRWSQDBZ-WAOWUJCRSA-N 430.980 4.592 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(OCC)CCCC1 1539296059 JZDJUNNUEPLHAQ-QHCPKHFHSA-N 448.611 4.847 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCCc1nccs1 1539538089 BTLJUUQFXQOJFR-GAJHUEQPSA-N 439.560 4.639 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1539558836 NQPPPUJVXCRMOH-QZTZHPFYSA-N 426.992 4.718 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1C2CCC1(C)CC2 1539610367 ZGGGECPSEUYEMF-UHFFFAOYSA-N 447.377 4.686 30 10 IJEE CC(C)COc1ccc([C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1539752819 AHPYBWVDWRLSKL-VQIMIIECSA-N 440.927 4.904 30 10 IJEE Cc1ccc2nc(COc3ccccc3C(=O)NCc3ccc(C#N)c(Cl)c3)cn2c1 1539754633 AWOTZQKFQQZZSO-UHFFFAOYSA-N 430.895 4.677 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2csc(C)n2)CC1 1539874316 LQIWMRDUPXGZOG-MRXNPFEDSA-N 441.576 4.967 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1539985308 IPXNLCQQSFMXQX-FQEVSTJZSA-N 437.519 4.502 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(Br)ccc(C)c3[nH]2)cc1 1540068594 SICIAKWEEAIHBB-UHFFFAOYSA-N 427.302 4.799 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1540139249 BFTDQTUBCFSVHU-ZILOHOTNSA-N 428.552 4.809 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1cc(F)cc(OC)c1 1540187012 KYCDRYQCCJHJBM-JOCHJYFZSA-N 440.519 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCc2csc(C(C)C)n2)C1 1540888210 LUIMCDPQJSPFHY-GOSISDBHSA-N 441.576 4.688 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1 1541406391 AYDKOQRPSXSDLO-UNMCSNQZSA-N 435.597 4.966 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)C2(c3cccc(Br)c3)CC2)c1 1542548893 HCBQAEUZOIRCPT-UHFFFAOYSA-N 435.115 4.858 30 10 IJEE CCOc1ncccc1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1548008717 ACBTXTFAJGEJJJ-ATIYNZHBSA-N 444.583 4.792 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CCCS1 1554767561 DMHYSJSIXXNEAR-NRFANRHFSA-N 431.993 4.633 30 10 IJEE C=CCn1c(SCCCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccc(C)cc1 1559390745 AXWAWMAVWDMHGS-UHFFFAOYSA-N 432.549 4.608 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](c2ccc(C)cc2)N(C)C)cc1OC 1560297420 DMNAJJAQKPDDDI-HXUWFJFHSA-N 433.390 4.723 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)c3ccc(C(C)(C)C)cc3)ccc2c1=O 1567114106 XINWTNLCLRCPCN-UHFFFAOYSA-N 449.620 4.876 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1C(F)(F)C12CCC2 1587587134 YHZUMYJFTUVNDO-AAEUAGOBSA-N 441.345 4.662 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](OCC)C1 1587723322 IQYAPTBZVZFMRO-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C#CCCCn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1587861591 NQEFJEGEQNHYGZ-OAHLLOKOSA-N 425.524 4.749 30 10 IJEE N#Cc1cccc([C@@H](NC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)C(F)(F)F)c1 1588105776 INZOLSJQHQKUOC-MRXNPFEDSA-N 439.315 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCOC(C)(C)C 1589150973 OODDCIIGYVYBAY-UQBPGWFLSA-N 440.588 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](SC)C(C)(C)C 1589625396 DGBYDVUDDSOYGN-FQEVSTJZSA-N 430.618 4.896 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1594615615 KTZLNXNDFNTKKP-NHCUHLMSSA-N 432.515 4.732 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1594972672 VWXJEVMZRIFXPF-UHFFFAOYSA-N 435.547 4.785 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)c1ccccc1F)C1CC1 1595027079 XSUWDBYJIQVCHU-RUZDIDTESA-N 442.579 4.590 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N(C)C 1595070657 HWMLZZBIYQQPNY-OAQYLSRUSA-N 437.588 4.673 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C)CCC1 1595127462 QCISDCTYZWISOM-VWLOTQADSA-N 442.579 4.841 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCc2cc(OC)c(C)cc2C1 1595343605 MXWVKLJJPDHYMS-UHFFFAOYSA-N 445.386 4.835 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2OCC(C)C)C1 1595729976 RDGUWFMCJPIWHV-NRFANRHFSA-N 426.605 4.731 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1597057199 DHGBBQGBHXCUGM-BBWFWOEESA-N 439.396 4.813 30 10 IJEE CC(C)(CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)N1CCc2ccccc2C1 1597725002 FJQXGGJEJLRBCF-UHFFFAOYSA-N 425.532 4.917 30 10 IJEE COC(=O)c1ccc(OCc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1OC 1613763830 BHFURPCOVMJBRZ-UHFFFAOYSA-N 433.460 4.520 30 10 IJEE C#Cc1cccc(N(CC)C(=O)COc2ccc(CCCNC(=O)OC(C)(C)C)cc2)c1 1615692944 PIROIPPBZHHDKD-UHFFFAOYSA-N 436.552 4.557 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 1616398548 BVNWWTRITJSUKO-UHFFFAOYSA-N 426.314 4.989 30 10 IJEE COCC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C(C)C)C2)CCC1 1619636850 GVKFUQAQCDPNKV-NRFANRHFSA-N 439.629 4.601 30 10 IJEE C#CCN(Cc1csc(C(F)(F)F)n1)[C@H]1CCOc2ccc(Br)cc21 1621193697 PXOVMVCNDHKRJQ-AWEZNQCLSA-N 431.277 4.883 30 10 IJEE C#CCOc1cccc(Cl)c1CN(CCOC)Cc1cc(Br)cs1 1621310019 BNGIBQORQHJLEK-UHFFFAOYSA-N 428.779 4.825 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1cccnc1)C(C)(C)CO 1622946345 GVYPBXUGYUYDCX-HSZRJFAPSA-N 430.508 4.935 30 10 IJEE C=CCCC[C@@H](C)NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1623908636 MLZRHCYEDFBGOA-OAQYLSRUSA-N 445.607 4.542 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1ccccc1OC(F)F 1629763345 ZZTJKMVCOYTQCB-GJZGRUSLSA-N 432.895 4.891 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 1631453114 YXRGXLIOUHGJOX-IEBWSBKVSA-N 439.581 4.661 30 10 IJEE C=CCN(CCc1ccco1)C(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1631673746 CABIPLPUEJUNCE-NRFANRHFSA-N 438.524 4.719 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 1633435440 UMTZPCWCWGYHRN-CRAIPNDOSA-N 426.479 4.922 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OC(C)=O)c2ccccc12 1634652025 FYMUARSXZYEQAK-UHFFFAOYSA-N 427.460 4.768 30 10 IJEE CC#CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CCC2 1637576152 KDKOCRHNASHCNY-MNDPQUGUSA-N 426.516 4.882 30 10 IJEE C/C(=C\C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccccc1OC(F)F 1639695462 GLEJKUWQTUHWDJ-NTCAYCPXSA-N 431.870 4.565 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NC(=O)NC(C)C)cc1 1642396906 LWRRBMFGZHMXBF-UHFFFAOYSA-N 432.318 4.796 30 10 IJEE C=CCn1c(Sc2nc(C(F)(F)F)c(C(=O)OCC)o2)nnc1-c1ccccc1F 1649809249 DCQLAOWEORFFKY-UHFFFAOYSA-N 442.394 4.605 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1OC 1650844247 JZORNODJQDJYHY-HXUWFJFHSA-N 431.960 4.956 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1 1654070175 GWWQOMYJEYJFDY-HSZRJFAPSA-N 438.936 4.605 30 10 IJEE Cc1cc(CC(C)(C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Br 1654621772 GPUWSBHFVPSDGV-NRFANRHFSA-N 440.385 4.736 30 10 IJEE C=CC[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)C1 1655009835 FPYGISIHICZFCL-YKSBVNFPSA-N 431.580 4.713 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 1657789994 CZEIBPYYYDLNLM-UHFFFAOYSA-N 448.473 4.770 30 10 IJEE C=CCCn1cc(CNc2nc3cc(Br)ccc3n2Cc2ccccc2)nn1 1658169493 MOYUCGOXQSQJAW-UHFFFAOYSA-N 437.345 4.627 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)cc1 1662221896 ANMDHISNHAPFFM-SFHVURJKSA-N 429.586 4.718 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc2c(c1)CCC(=O)N2CC1CC1 1662275583 KCQBSNPDNYLEBP-UHFFFAOYSA-N 439.353 4.762 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@](OC)(C(F)(F)F)C1 1662574089 VUDHKTGCASPDCG-INIZCTEOSA-N 437.256 4.589 30 10 IJEE N#Cc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 1663583053 HGOXJCGSZMVRNQ-UHFFFAOYSA-N 442.768 4.728 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 1664133200 IRWFFFOIZYCLDB-OAQYLSRUSA-N 426.335 4.769 30 10 IJEE CCC(C)(C)C1CCC(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1665706645 DCYUOKBRMONLBS-UHFFFAOYSA-N 448.615 4.775 30 10 IJEE CC#CC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 1669067409 FAUBUYFBUMIMGT-HNNXBMFYSA-N 437.721 4.791 30 10 IJEE O=S(=O)(N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)c1ccc(C(F)(F)F)s1 1669931964 AJZFLYSNDPBKRJ-CYBMUJFWSA-N 446.369 4.969 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)c(Br)cc1F)c1ccc(Br)cc1 1669970479 WQWKTEHJPSIPFZ-CQSZACIVSA-N 444.073 4.986 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nc2ccccc2n1CC 1672708808 STRDAXWZUVCLTH-UHFFFAOYSA-N 429.318 4.705 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)c(Cl)c1 1675169261 IUAKBORNKFUADF-GOSISDBHSA-N 442.821 4.772 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C(F)(F)F)n(C)n1 1675249920 JHEWWBQNLMJQIT-UHFFFAOYSA-N 435.219 4.561 30 10 IJEE C=CCC1(CNC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CCCC1 1678087109 XALNSDVMAIHGBL-FQEVSTJZSA-N 439.522 4.514 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccc(F)cc1 1683498870 XKYVLLCFXVVXAY-OALUTQOASA-N 425.262 4.729 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](CO)Cc1ccccc1Br)c1ccccc1 1685799149 OUOZXHYQDKYMBB-LAUBAEHRSA-N 431.374 4.607 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1689934069 IMKZIOULJFTMQF-UHFFFAOYSA-N 447.608 4.740 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H](C1CCCCC1)N(C)C 1690040858 QZQHEHZFZFJZIM-HSZRJFAPSA-N 438.019 4.572 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N1CCCC1 1690533224 ASBDSOFRLZGFEN-HXUWFJFHSA-N 441.963 4.563 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCCc1nc2c(s1)CCCC2 1690533369 GITWQKOPBJWINS-UHFFFAOYSA-N 441.576 4.587 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690737220 DWHCAOOYXDPVOM-FOIQADDNSA-N 449.020 4.530 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2CCCO2)CC1 1690752855 SSUSTQHUWTYOKF-QHAWAJNXSA-N 448.677 4.511 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1705509717 JDDLIZWPDHGXQY-NPPFBWRTSA-N 442.991 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCCCSC 1705670758 IGNRASUDPWDJBC-XMMPIXPASA-N 442.629 4.876 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccccn1 1705697486 VMINCLJMPLJEHH-HRAATJIYSA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cc(C)no1 1705720014 UMEYUADEBKYPFO-UHFFFAOYSA-N 436.343 4.911 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705778282 QDDBWLNCMCXHCW-QMHKHESXSA-N 434.531 4.746 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1705796330 CPBZTVSCZJAGJM-PZJWPPBQSA-N 439.604 4.504 30 10 IJEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCC(C(F)(F)F)CC1 1705844242 YEGXXFYILQPPGS-LADRWXRNSA-N 436.478 4.782 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@@H]1CCC2(CCCCC2)O1 1705860497 JGCHFMFGSCSUDN-QHCPKHFHSA-N 449.599 4.761 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N(C)C1CCCCC1 1705871575 OVPURQIRPUEIPW-UHFFFAOYSA-N 427.980 4.568 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705880954 VXYPRFGTHVLAEF-RBBKRZOGSA-N 448.615 4.597 30 10 IJEE C=CCSCCn1c(N2CCS[C@@H](C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1705950357 YMZJINLNVWYJGW-MOPGFXCFSA-N 428.671 4.998 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCn2ccnc21 1722517636 VXEOSDUYTRQKIO-GOSISDBHSA-N 440.979 4.687 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722518524 REJYOVPZIQJTST-IBGZPJMESA-N 429.515 4.595 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@H](SC)C1 1722530220 PIWQCBSZRJEQBD-FQEVSTJZSA-N 437.613 4.808 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC1COC(C)(C)OC1 1722544854 NISPAVLNNVZAQV-UHFFFAOYSA-N 432.996 4.830 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)C[C@@H]1CCCOC1 1722553774 HRPQXDSFCYEPOG-IBGZPJMESA-N 432.996 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722588966 IHPAYRVCCZKONN-FQEVSTJZSA-N 439.633 4.583 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1cccc(C(F)(F)F)n1 1722654515 PCIWFHWGIHDJTI-UHFFFAOYSA-N 431.462 4.504 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C 1722667149 UNXFSRJERKTATF-QFQXNSOFSA-N 445.696 4.916 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CC)CCC2)C1 1722713253 CJIRCIOMRJFRSK-IBGZPJMESA-N 432.515 4.908 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722734499 ZRWPQJDXLVWKPD-AWEZNQCLSA-N 431.915 4.691 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](c2ccco2)C1 1722743115 QVIJOILYCYZYCE-HXUWFJFHSA-N 438.597 4.980 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CC(C)C)C2CCCC2)C1 1728118772 DXWXZXVZMOJMAH-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740553831 YTYLUDLWYCEMKT-YFVAEKQCSA-N 426.580 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1OCC[C@H]1C 1740729472 HQBIWMOZTBKTTL-ROSOWXQZSA-N 436.600 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC 1740753408 JPNOAVDPVRMWKD-BEFAXECRSA-N 449.393 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)CCc1cccs1 1740755159 YHXJYIYMEMZWSU-GGAORHGYSA-N 447.608 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CSCCS1 1740767264 RXMZLKKKOBYSQE-QFBILLFUSA-N 436.622 4.808 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC[C@H](C)N1CCCCC1 1740774971 IRQJJADRDOBYQK-IBGZPJMESA-N 431.575 4.814 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2CCOCC2)CC1 1740834879 AEBTXOJSEITMQO-UHFFFAOYSA-N 449.368 4.676 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCc1cc(F)cc(F)c1 1740937767 OJAKZIICZKQUNN-JOCHJYFZSA-N 442.510 4.869 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1741001413 UFSPSBSASNPZFF-DENIHFKCSA-N 425.646 4.564 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1)SC 1743962214 GQZGRXPJLJJTBI-UHFFFAOYSA-N 440.661 4.659 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)CC1 1745835112 AAWPVJQVOHSSPH-URXFXBBRSA-N 439.629 4.888 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](c1ccco1)N(C)C 1748686282 MHJFBJOUDUINFR-SIKLNZKXSA-N 449.599 4.508 30 10 IJEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)Cc1ccc(Cl)s1 1748751638 JEKPRCPUXHBYSM-IBGZPJMESA-N 442.972 4.945 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[C@@H]1CCCCO1 1748833582 VWWUUBDIACKMTM-CTNGQTDRSA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H](SC)C(C)(C)C 1748939249 VOJNGDUOKLQXAG-IBGZPJMESA-N 432.659 4.816 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1749071314 BSYWDZSZUJBOCU-FQRUVTKNSA-N 437.607 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749079102 XQDNCXMTOCHYNQ-FDJWOJMMSA-N 449.643 4.668 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H]1C 1749238780 BRAHPYBQXAZPHX-CVEARBPZSA-N 439.387 4.991 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1749309911 RNJYQYYMOXERQD-URXFXBBRSA-N 438.616 4.824 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1Cc1cccnc1OCC(F)(F)F 1749538843 NPNLBLLEPHDGSI-UHFFFAOYSA-N 443.473 4.733 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCN1CCCCCC1 1749564515 BLDMRYBGTAOBFH-UHFFFAOYSA-N 444.421 4.762 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCN(CCC)CC2)C1 1749695529 DLJGHQACOUKENM-JOCHJYFZSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1749754502 ODGKMAQTSOBBJH-WOJBJXKFSA-N 449.020 4.670 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@@H](C)CC#N)n3CCCN3CCCCC3)cc2C1 1752081318 FGVVMTJNKAOLSQ-OALUTQOASA-N 440.661 4.746 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1760139628 JOBGJKWYYOUERV-UHFFFAOYSA-N 438.616 4.659 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1CCN(Cc2cccs2)CC1 1760166124 RIYCRGQRWPNNKU-UHFFFAOYSA-N 440.016 4.642 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCCC1(F)F 1760214721 ZNIZPUXTJOLXJY-HXUWFJFHSA-N 433.506 4.782 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](OC)C(C)(C)C 1760237454 KGDSGXXZQFTBGY-JOCHJYFZSA-N 426.605 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CC)C1 1760327364 GMSBCIWQTUMKMG-BIRZXAFVSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1760346744 DDVVRCXMIISEMO-HXUWFJFHSA-N 437.613 4.911 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760350848 USYWALURNGXFTI-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(CCSC2)C1 1760370466 UAKLORMJUITUIG-GOSISDBHSA-N 439.810 4.794 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)c2ccccn2)CC1 1760381255 FOYAKKOJFYDXHM-UHFFFAOYSA-N 444.583 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(Cn2cccn2)CC1 1760413625 OEFKSIGAWFYSIV-UHFFFAOYSA-N 448.615 4.593 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@H](OC)[C@@H](C)CC)C1 1760538790 WJNWYIYTDFHFDK-NRYAXDJKSA-N 449.599 4.644 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@H](F)C2)C1 1761545666 HPODNUMITRKSID-RADWXHQJSA-N 431.943 4.779 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC[C@@H](C)C1 1762871231 ARZNATORLUMUFP-MSOLQXFVSA-N 429.012 4.847 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3ccc(Cl)cc3)n2)c1 1772723876 KYXIXLFLKXMLNY-UHFFFAOYSA-N 449.001 4.940 30 10 IJEE CCCCOc1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(C)C2=O)cc1OC 1772739040 SHCNJDMVUOHUSO-JTKXPSIUSA-N 440.521 4.806 30 10 IJEE COc1cccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)cc2/C=N\NC(N)=S)c1 1857806907 NSDMDFFXSMDRKN-YSMPRRRNSA-N 443.532 4.507 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1cccn(CCC)c1=O 1861282746 SCBUYZTUSZRWSE-JOCHJYFZSA-N 433.637 4.660 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1c(OC)cccc1OC)c1ccccc1 1861487607 ILKABNYVOKJJRO-HSZRJFAPSA-N 426.557 4.652 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862480189 ZYNOHXHRARZICW-PWAGRJGVSA-N 447.531 4.923 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862534590 SLIGVUHNPHDHBM-XMMPIXPASA-N 445.563 4.650 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862559547 QRHJUQQGMNXQSY-XMMPIXPASA-N 442.515 4.754 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 1862616282 SVUGAHQGBPHUAW-QHCPKHFHSA-N 443.547 4.849 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc2ccccc12 1862630761 BFVYTLNVBKXNFM-IQMFZBJNSA-N 429.472 4.945 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1862677449 DVSORILTWNKCJE-QHCPKHFHSA-N 433.479 4.982 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)cc1 1862687484 LSMKTFWJEYHACR-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2C)cc1 1862747987 XIDZOMVYVZWDIR-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(F)c(C)c2)C(=O)N(c2cccc(C#N)c2)C1=O 1863095582 VDUMDBQFSNXMAQ-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE CCc1nc2ccc(F)cc2c(C(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)c1C 1866277553 HGTKZNVXSPQIIP-UHFFFAOYSA-N 431.446 4.908 30 10 IJEE CC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(C#N)cc1 1867184402 XETYQKQOQNUTSF-JOCHJYFZSA-N 444.535 4.721 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C(C)C)c3ccccc32)n1 1868267749 TVOABDJWAAUNMQ-UHFFFAOYSA-N 428.540 4.647 30 10 IJEE COc1ccc(N(C)c2cc(Nc3cccc(C#N)c3)nc(-c3cccnc3)n2)cc1OC 1868553132 JRKKKKGEJBHMQQ-UHFFFAOYSA-N 438.491 4.939 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](CC)c1ccc(Cl)cc1 1868835828 WCHVDLQWMYMLSV-GOTSBHOMSA-N 442.962 4.901 30 10 IJEE CCCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1cccnc1 1870348527 BNCRCQYESLRBDC-UHFFFAOYSA-N 444.579 4.754 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCN(C)CC1 1870625612 LTPNDRFGBBUBNC-UHFFFAOYSA-N 443.607 4.674 30 10 IJEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Cl)cc1C 1871117919 WMOBMLVDFGBFFY-UHFFFAOYSA-N 433.980 4.647 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1ccc(C)c(C)c1 1871172558 SQFQQWDVTZUJPS-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)c1 1871426859 ZYLJUUOTGURFNO-NXUSMQHESA-N 431.444 4.813 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872214889 ZMRNWQQHLYMHFO-LJQANCHMSA-N 428.598 4.805 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872515081 QZIUAPAKQOMEAJ-OAQYLSRUSA-N 444.597 4.523 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c1 1872770859 HABGUIZQGUCPIJ-QKYXPGDISA-N 435.461 4.625 30 10 IJEE C=CCN(CC=C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)c(C)s1 1872799561 IZTIZIIAQSBQSB-QGZVFWFLSA-N 430.371 4.731 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873594740 ACBJAAQEJQWAJU-IAGOWNOFSA-N 437.975 4.683 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccco3)C23CCCC3)cc1 1873867412 PEBPUYDSSSLZCY-QHCPKHFHSA-N 425.488 4.842 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccccc3C(=O)OCC)c(=O)oc2c1C 1873951760 OYHGVGKCFJLSNT-UHFFFAOYSA-N 449.503 4.723 30 10 IJEE COc1ccc(Cc2nnc(SC)n2/N=C/c2ccc(Cl)cc2Cl)cc1OC 1874238315 BTJHFNZUKQZFMK-SSDVNMTOSA-N 437.352 4.797 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2/N=C/c2c(F)cccc2Cl)c(C)c1 1874328422 NSZZBIFYWJNCKA-WYMPLXKRSA-N 448.951 4.623 30 10 IJEE Cc1ccsc1/C=N/n1c(SCc2ccccc2)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874332949 CIMOSFMHVYZLTB-BYWZACNXSA-N 439.610 4.547 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccccc1F 1874475298 SNXLRGKEBSEQOS-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc(Cl)c1 1874483213 KFMHTRJDICNUNC-WYMPLXKRSA-N 445.951 4.981 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874698023 HISGFNIUUOEPKZ-GIDUJCDVSA-N 447.443 4.874 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 1875099227 XDQBVYZALBGCJU-XYOKQWHBSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1OC 1875103870 UGUFEAYWSSNJDP-DHZHZOJOSA-N 436.435 4.967 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C(C)C 1875114471 MGNRCNMBMCQNSV-CMDGGOBGSA-N 433.298 4.924 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875125105 QQBXJUGYXAGSCM-ZZXKWVIFSA-N 445.296 4.636 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1ccc(Br)c(Br)c1 1922086657 RVBNKBPDTFWZQG-SFHVURJKSA-N 440.131 4.587 30 10 IJEE C[C@@H](S)[C@H](C)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1946433514 XXAMXZPEYFPDEK-NTSWFWBYSA-N 446.002 4.867 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C12CCCC2 1989565119 FFUFMELNLVLNAT-IBGZPJMESA-N 433.471 4.612 30 10 IJEE C#CC(C)(C)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2048679945 BOZUFFROMZOKQU-QHCPKHFHSA-N 441.660 4.964 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2ccc(Br)cc2C#N)[C@@H](C(F)(F)F)C1 2163253203 GZVDHFWXGTWRBT-OCCSQVGLSA-N 448.283 4.778 30 10 IJEE CC[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)[C@H](CNC(=O)OC(C)(C)C)C1 2174813819 AOXLMSJROCFQDE-HIFRSBDPSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1ccc(C#N)c(Br)c1F 2174815432 SXRRRFIQCWKMAQ-GJZGRUSLSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1 2185153523 GFAWSHZCMYVCRQ-INIZCTEOSA-N 444.320 4.840 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C 2203611786 FXGSWTFSAPHPTI-OALUTQOASA-N 436.394 4.931 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@H]2CNCC[C@H]21 2233795305 ONCJRNRLJSJJOQ-FPDPHYFHSA-N 434.378 4.863 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(N)C#Cc1ccccc1Br 2235733941 PQUMMFFYDFMVDU-PGRDOPGGSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)ccc1Cl 2248403898 IXZZNHHURBLCKD-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1F)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255272514 BKKVDYWKADIBEG-ZEQRLZLVSA-N 440.559 4.656 30 10 IJEE CCc1nc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255642975 OAEOMCMPVOISNB-KRWDZBQOSA-N 442.434 4.692 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267559250 MZRYWFJWYAHEDP-IYARVYRRSA-N 444.381 4.565 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267569647 YWBJWCTXIKDUQZ-RBUKOAKNSA-N 444.381 4.547 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)c1 2268991915 TUVLCFXBKVDTGX-UHFFFAOYSA-N 443.328 4.635 30 10 IJEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)c1c(Br)cccc1C#N 2269727181 PNOXUYCOLWXQOH-UHFFFAOYSA-N 436.272 4.604 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCC#CBr)cc1C(F)(F)F 2271460497 TUHKXYRGHHCKAC-UHFFFAOYSA-N 435.240 4.528 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)s1 2278725382 MIGGCAJUGJTEAT-KRWDZBQOSA-N 435.387 4.848 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1csc(NC(=O)OC(C)(C)C)n1 2278813077 CLARBTCAMMPZGU-OAHLLOKOSA-N 436.375 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@@H](N)C#CC1CCCCC1 2289686133 HAFAYZOUTXANLY-PMACEKPBSA-N 435.406 4.796 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(Br)cc1OC 2292199592 JXSPCDWYBXNCLI-OAQYLSRUSA-N 435.314 4.763 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](N)C#Cc3cccc(Br)c3)CCCC[C@H]12 2296216170 IATMISFFCORTGF-IPJJNNNSSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 2296217343 SYZGXADFPGLAQM-NSISKUIASA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@H](N)C#Cc1cccc(Br)c1 2296219982 TYUATXYIEOCEDE-VQTJNVASSA-N 435.406 4.849 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2296220249 WFSCGAJIJFVLIR-WOJBJXKFSA-N 431.374 4.558 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@@H](N)C#Cc2cccc(Br)c2)C1 2296267878 XWNXOPOOHIUXAE-OALUTQOASA-N 433.390 4.555 30 10 IJEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 2296303794 GDWJARULZAIOIO-LJQANCHMSA-N 428.326 4.979 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2296310923 PMQWREYVGKQYBW-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OC 2323557474 PXULYPLWXYYUQX-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE CCOC(COc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O)OCC 2324741346 CKXGDIRBAZYQRZ-UHFFFAOYSA-N 433.298 4.843 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2324982621 GXVAZOGBPZEWLX-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(=O)O)cc(C)c3C2=O)cc1 2325161631 AWKKDNPCAAEMHT-UHFFFAOYSA-N 443.455 4.635 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)Oc2cccc(C=CC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 2325732903 CAQFAHTUAXTXLH-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3)c2)c(OC)c1 2325760787 KHXBGQJKKSREPI-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2326660938 ZNWWJKGCPSBUQK-UHFFFAOYSA-N 433.537 4.758 30 10 IJEE CCCSc1nnc(COc2ccccc2OC)n1N=Cc1cc(Cl)ccc1O 2328298200 GYUUXVHKGOORBQ-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(F)c1 2330133722 IWXXQWQLUFEASF-KRWDZBQOSA-N 440.544 4.743 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2330663934 MBLGUBIDCNRYPQ-JOCHJYFZSA-N 429.561 4.856 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1cccnc1 2331392185 ZHFORYMIDGMLDF-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE COCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(Br)c1 2331563953 XFDMDVPYLGXRAT-UHFFFAOYSA-N 435.322 4.501 30 10 IJEE CN[C@@H](C#Cc1nc(C)cs1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2338371591 IZTGTWFEIVJVNX-HNNXBMFYSA-N 436.375 4.873 30 10 IJEE CC(C)(C)OC(=O)NCCC1CC(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339586080 YUFAFUGOKOWWKF-UHFFFAOYSA-N 444.381 4.798 30 10 IJEE CC[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844579 SPKDORYFIJVPMW-OUIFVKKZSA-N 448.460 4.937 30 10 IJEE Cc1ccc(C(=O)N/C(=N/c2cccc(C(F)(F)F)c2)NCc2ccncc2)cc1C 15729808 UUNKLCAYMAGIDI-UHFFFAOYSA-N 426.442 4.925 30 10 IJEE Cc1ccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2cccc(O)c2)cc1 22730884 ARXJZADKMUZMET-UHFFFAOYSA-O 442.358 4.802 30 10 IJEE Cc1noc(CSc2ccccc2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 22885094 YJHAFDVGPXVDOX-UHFFFAOYSA-N 447.545 4.842 30 10 IJEE C[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 29760916 DEQIHMBILOAUHC-HXUWFJFHSA-N 436.515 4.837 30 10 IJEE COc1cccc2c(C)cc(S[C@H](C)C(=O)Nc3c(C#N)cnn3-c3ccccc3)nc12 32529718 KLSSMHOEGZOHTE-MRXNPFEDSA-N 443.532 4.729 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 33414406 RQDPDDWHELXZBW-HVMBHNBBSA-N 426.428 4.777 30 10 IJEE COc1ccc(OC)c(-c2csc(C3=C(N)N(c4ccc(C(C)C)cc4)CC3=O)n2)c1 34769637 BETHDZIMFBOHPM-UHFFFAOYSA-N 435.549 4.667 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@@H]4C)[C@@H]3C[C@H]12 35877809 RTGZNAKHJPYKJA-UDXDLBOGSA-N 439.596 4.937 30 10 IJEE biogenic COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936128 CWLPMKPYASOGCY-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC(C)C)c1 169939194 BIXRGDNYBOQXKA-QHCPKHFHSA-N 449.503 4.835 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1OC 169941492 LGHGSHMSZFBVFT-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169955145 ODOILZZFFSLOMM-HSZRJFAPSA-N 430.504 4.687 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2cccc(C)c2)c1 169966314 OCDGPYWTLCALTA-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC(C)C)cc1 169990280 LZSKYUGVQNDGFY-OAQYLSRUSA-N 443.927 4.600 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccnc1 170001957 XCKLAFSNZILXBV-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1 170016043 UKTPFSJSVRNNRY-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2OC)cc1C 170123588 ABGPAKVJRMDELB-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc(C)c1 170145834 GJBVBTJWDNBIGP-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccs2)cc1OC 170161429 KBMIWVQWJCZFQJ-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)c1 170223750 WNEIWYVNMOKGPP-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(F)cc2)cc1C 170238024 NVIGWAGOKWGAAJ-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170244530 RJFQWGQPHJHBRK-HSZRJFAPSA-N 437.536 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)cc1OC 170308164 MPAGYSRXMUSKOM-NRFANRHFSA-N 425.481 4.516 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)c1ccncc1 170373390 HJXUZCOQGOUPDD-IBGZPJMESA-N 435.277 4.627 30 10 IJEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(O)c2)cc1 170385455 JASUUEHIOIDOMH-QFIPXVFZSA-N 433.460 4.803 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2C)cc1 170398735 AKOWZSNEYFWILK-OAQYLSRUSA-N 431.444 4.548 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 170420917 LYCALGIDXMRBFL-HSZRJFAPSA-N 441.483 4.642 30 10 IJEE CC[C@H]1NC(=Nc2ccc(I)c(Br)c2)S[C@@H]1C 387341634 FFDMFDROOUUQQL-RDDDGLTNSA-N 425.133 4.545 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460787213 BDBQAWGVNJWCBO-MHZLTWQESA-N 446.595 4.581 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 476121274 FYFMAFVCORZKHZ-UHFFFAOYSA-N 444.597 4.876 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NCC[C@@H]3COc4ccccc4O3)c2)cc1 483052524 UASIVTUMTNOESY-HSZRJFAPSA-N 443.503 4.683 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C 483455539 CEUBIXCOHCCZRG-WIYYLYMNSA-N 448.575 4.617 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc3ccc(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1 488889663 KVRKOBJVSQDWME-UHFFFAOYSA-N 442.907 4.531 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508867526 QHUZUBSKEPGVCQ-UHFFFAOYSA-N 443.595 4.950 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1nc2c(s1)CCCC2 508886048 WJSZSDMURNUNHQ-OAHLLOKOSA-N 427.549 4.715 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 509010455 GPVXDQCDBORCOA-KRWDZBQOSA-N 426.952 4.599 30 10 IJEE C=CCN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512075536 XWSNMXGQQFGKDG-IBGZPJMESA-N 441.896 4.894 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccncc2)cc1OC 526605849 UOZCSWLMCJYBTK-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)c1 526658897 CYQSLKDKAIWFET-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1[N+](=O)[O-] 526817373 UYENPBUCXCQPAX-RMORIDSASA-N 449.895 4.942 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1OC 526820904 ORFMTPMCARPTPR-MTJSOVHGSA-N 431.359 4.786 30 10 IJEE COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2cc(C#N)c(SC)nc2O)c1 542375409 RKPJKFDYEIQTSJ-RBBKRZOGSA-N 445.544 4.760 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 558996833 UQYMFZJXYQIYAV-UHFFFAOYSA-N 443.551 4.661 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 559025531 CDSFOTMKSBBVTH-CYFREDJKSA-N 445.542 4.963 30 10 IJEE C=CCCN(c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251051 FRPDESBVZDSWKM-UHFFFAOYSA-N 433.570 4.781 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)NCCNc2cccc3ccccc23)c1 586672929 IAHNVQZMRPCBSC-UHFFFAOYSA-N 428.536 4.888 30 10 IJEE CC(C)(C)OC(=O)c1ccccc1C1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 619670658 SWLGKFWNQDOXRC-UHFFFAOYSA-N 425.573 4.861 30 10 IJEE C=CCn1c(Sc2ccnc(Cc3ccc(F)cc3)n2)nnc1-c1ccccc1OC 647851707 LMQADTYQEDDTSY-UHFFFAOYSA-N 433.512 4.811 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 669807696 CNOYIHCGEMLUML-RCZVLFRGSA-N 432.568 4.690 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(F)cc1F)[C@@H]1CCOc2ccc(Br)cc21 733640300 RZCPBCMXTWNJBB-BFUOFWGJSA-N 449.295 4.957 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 742214340 DGWHIAOBKOXVDW-LJQANCHMSA-N 425.941 4.714 30 10 IJEE C=CC[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccncc1 765550504 CJZLLYNOEHRTQP-LJQANCHMSA-N 437.569 4.964 30 10 IJEE O=C(Nc1cccc(F)n1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769248442 SYDDJRXKTQHPQR-ZDUSSCGKSA-N 437.315 4.864 30 10 IJEE C=CC[C@H](NC(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 783233980 XOCRUPBRFGJBSG-JAXLGGSGSA-N 444.938 4.541 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](CC(C)C)C1 802561540 MEUBVSIKRLRAKL-NRFANRHFSA-N 425.577 4.543 30 10 IJEE CCc1cccc[n+]1/C(C(O)=C1C=CC(=NC(C)=O)C=C1)=C(/S)Nc1ccccc1C#N 917612099 GRFGYVFFPVSYEI-UHFFFAOYSA-O 443.552 4.502 30 10 IJEE COc1cccc(C(=O)/C=C(/O)C(=O)Nc2ccc(Br)c3ccccc23)c1 1081100833 CFUAEKNEGTYILY-UDWIEESQSA-N 426.266 4.874 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@]1(F)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1126231290 NVWQHJVAMQAWBZ-CNNODRBYSA-N 428.301 4.619 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)c3ccccc3OCc3ccccc3Cl)n2)cc1 1126549091 ADZAPYOEUUEMRY-UHFFFAOYSA-N 443.894 4.683 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(F)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1128113058 ZSCSQYMUQJHLAH-LJQANCHMSA-N 448.332 4.699 30 10 IJEE COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1128688975 FXXIKUFQUFWBKK-LJQANCHMSA-N 428.488 4.749 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN(CCC)c3ccc(F)cc32)CCCN1C(=O)OC(C)(C)C 1128704441 KHCSJUSKPBPUGW-DEOSSOPVSA-N 431.552 4.735 30 10 IJEE COC(=O)c1sc(NC(=O)c2cccc(COc3ccccc3C#N)c2)nc1C(C)C 1129053549 HPVYTVSIALIYJH-UHFFFAOYSA-N 435.505 4.756 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1129663246 ADQGYQGYOKPVCO-HXUWFJFHSA-N 439.556 4.706 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1129663545 GMTUHUFDFDEXQK-OFNKIYASSA-N 436.552 4.661 30 10 IJEE CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1133483790 CBROZAJVAVHABC-QFIPXVFZSA-N 449.551 4.609 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c1 1136055566 OUMPNNKEPCSZFJ-VWLOTQADSA-N 443.524 4.749 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 1136697510 TXIQQQLEXJONIK-UPVQGACJSA-N 448.563 4.524 30 10 IJEE C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1ccncc1 1136820348 SSVWEOHWZZVLTR-OAQYLSRUSA-N 441.940 4.583 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C/c1ccc(Br)cc1 1141359416 RMPFXFUDHGPIAW-GFOMBABLSA-N 437.378 4.828 30 10 IJEE C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1161476081 GTRHDKCARRRAFW-XOBRGWDASA-N 425.326 4.723 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1Cl 1189515033 FYAWVNLDBGFTHH-KRWDZBQOSA-N 443.725 4.543 30 10 IJEE C#C[C@@H](NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)c1ccc(Cl)cc1 1206090913 CJJXLBWLMQWPJN-WIYYLYMNSA-N 428.960 4.955 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)Cc3ccc(F)cc3)cc2Cl)cc1 1214832465 DJIDWQTZISNKQG-LJQANCHMSA-N 439.874 4.868 30 10 IJEE C#CCN(C(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C)[C@@H]1CCCc2ccccc21 1230711978 DYTOFWRXOHGTCM-IZZNHLLZSA-N 426.564 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1286300677 BONKUVLNYAOCSC-SIBVEZHUSA-N 438.616 4.554 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286317410 LXWPCJFCGHFAEF-RTWAWAEBSA-N 430.943 4.541 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCc1nccs1 1286360001 BAZOEAMJQODTPM-QGZVFWFLSA-N 444.004 4.847 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H]1CCO[C@H](C)C1 1286400759 GANIDEZZLISFIZ-UXHICEINSA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccnc(SCC)c1 1286438332 XQEAKKUAQPKJSF-UHFFFAOYSA-N 442.592 4.817 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@H](OCC)C2)nnc1C1(c2ccccc2)CCC1 1286547609 IXDPTPVNHHEJGC-LJQANCHMSA-N 445.405 4.662 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1286600008 GUHJKBNKALBYAD-LJQANCHMSA-N 449.640 4.610 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](C)N(C)C)CC1 1286638349 ZANRVIFQDGCERF-OALUTQOASA-N 432.012 4.795 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1286759234 MRKZKOCNDPQXJK-FQEVSTJZSA-N 425.596 4.697 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)C(C)C 1286763040 BHNDGBIAQVCWRR-HSZRJFAPSA-N 428.964 4.834 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C)CCOCC1 1288513353 DMEIXKUCLGFRDF-IBGZPJMESA-N 449.555 4.672 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1csc(I)c1Br 1289493442 VXISFYXBWJJIQN-SECBINFHSA-N 440.144 4.686 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1301087623 NLSSXWWQIYPJDE-NRFANRHFSA-N 437.632 4.544 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C(C)(F)F)cc2)CC1 1301110171 WULBEDMPXHJJPK-QGZVFWFLSA-N 434.531 4.565 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)Cc2ccccc2)c1 1301204185 JNRKXPIUTZFPBV-QFIPXVFZSA-N 445.584 4.757 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1c1nncn1C 1301209574 YRWPRYGZJZUJLK-QGZVFWFLSA-N 432.359 4.688 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCOC1 1301399181 IGYUKGLSDOFXHJ-FQEVSTJZSA-N 437.975 4.655 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1301555899 DNACWLCJAXWWHW-ZEQRLZLVSA-N 449.574 4.624 30 10 IJEE C#CCN(CCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCOc2ccc(Br)cc21 1307476420 YFICHESNBYMVNP-IBGZPJMESA-N 449.295 4.515 30 10 IJEE COc1cc(CN(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)ccc1SC 1309106792 FBRCXOACESQRDW-UHFFFAOYSA-N 432.592 4.633 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H](C)CC#N 1313536293 BBJXRIMZVIWFLA-PMUMKWKESA-N 432.366 4.816 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)no1 1313729115 GFAGWCQCLCMVNH-UHFFFAOYSA-N 438.944 4.903 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 1351766648 TWIXVMSEHVCBAG-HNNXBMFYSA-N 437.458 4.826 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1c(Br)sc(C)c1C 1352521619 PSPMGKNGAIKNIY-UHFFFAOYSA-N 439.327 4.870 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1cccc(C)c1 1354037921 DZENAAOWACTNTG-RCZVLFRGSA-N 440.503 4.602 30 10 IJEE C=CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CCCCC1 1355314098 DOFXMTAWNXEFAG-UHFFFAOYSA-N 434.602 4.725 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)CN1CCCCC1 1359001663 ZRGCVRXDOCWZLU-PMACEKPBSA-N 444.023 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1359100654 DYNSCVGLFRTQOT-URXFXBBRSA-N 426.580 4.862 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359119661 HQBALJOGWHAYRM-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1359187452 NSLRAFQVDPSGRR-SFHVURJKSA-N 434.588 4.524 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](C)N(CC)CC)C1CC1 1359249022 LGHPXPHEGHQYEY-MRXNPFEDSA-N 432.410 4.593 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCN(C)C1CCCC1 1359267265 ADRISQFIRAJMHK-UHFFFAOYSA-N 444.421 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCC[C@H]1C 1359268114 DNIRNWUCEMVUCU-LJQANCHMSA-N 425.646 4.938 30 10 IJEE CC(C)(C)OCc1cccc(Cn2c(-c3ccccn3)nnc2N(CCC#N)CC2CC2)c1 1359583090 DTEUDCDVLFNKPE-UHFFFAOYSA-N 444.583 4.834 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(Br)cnc2OCC2CC2)cc1 1435908333 GQTQHGGLACPYOM-UHFFFAOYSA-N 432.339 4.715 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 1444346781 YZHKRJIREMEXBC-LJQANCHMSA-N 449.979 4.668 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1457715305 LLXXLVMMJYNURQ-HNNXBMFYSA-N 432.933 4.656 30 10 IJEE C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 1458347047 GGZRVJHZRKDDNS-OFVILXPXSA-N 439.559 4.778 30 10 IJEE N#Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1O 1464638505 BKFFHKWSXPHUFO-UHFFFAOYSA-N 425.366 4.787 30 10 IJEE C#CCOc1cccc(NC(=O)N2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)c1 1465628676 RYYFRYMAOYUUPS-PKTZIBPZSA-N 449.551 4.742 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1467488855 YNHICYRGFGIKHD-OAHLLOKOSA-N 427.423 4.645 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCNC(=O)c1ccc(Br)cc1)c1ccccc1 1468545559 XBJXRBSVZMMNDB-HXUWFJFHSA-N 444.373 4.576 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C)N2CCCC[C@@H]2C)cc1OCC 1473933656 OKXGAHRDLOGSHJ-IRXDYDNUSA-N 425.411 4.765 30 10 IJEE COc1ccc(Cl)c2c1N(S(=O)(=O)c1sc3ccc(C#N)cc3c1C)CCC2 1474929695 GZIFYMDFXFACAR-UHFFFAOYSA-N 432.954 4.885 30 10 IJEE C=COc1ccc(NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 1476727646 XHUAIJWJQOQKRK-RYUDHWBXSA-N 430.295 4.844 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@@H]1CC=CCC1 1507580348 AWKHMHVZTTYJSU-QGZVFWFLSA-N 443.389 4.922 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC1(F)CCC1 1507607304 PMOCVCUHRDSVTG-UHFFFAOYSA-N 425.733 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@@H]1C(=C)C 1507661919 AQYLXYPLXNALAL-ZJSXRUAMSA-N 448.636 4.720 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507682475 PJXDXVWMRQTBAQ-HRCADAONSA-N 431.353 4.742 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507703358 VLOLLMDLSMGNBA-FUMNGEBKSA-N 442.991 4.594 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1507915345 BOFIDLUFRJXJAS-HXUWFJFHSA-N 428.577 4.776 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1)c1ccccc1 1507924874 VGEVFJWRVFZGIU-XMMPIXPASA-N 435.616 4.565 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1)C1CC1 1507996340 VXPUBPZQJZXOFX-QFIPXVFZSA-N 444.988 4.635 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@H](c1cccs1)N1CCCC1 1507999411 MRRKCNQEETZCHN-JOCHJYFZSA-N 446.624 4.803 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(Cc2cccs2)CC1 1508048252 LNANMHDCLDGVAE-FQEVSTJZSA-N 437.613 4.605 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C)CC1 1508107758 GEBVRVSXAIFOSN-GOSISDBHSA-N 437.613 4.873 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCOC(C)(C)C1 1508151208 WEKINGWQPJFNTL-MRXNPFEDSA-N 432.659 4.666 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1508159344 TXMOOZOPCMPQJS-MJGOQNOKSA-N 428.602 4.650 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC#N 1514035262 FJODGSKQUBVEBF-AEFFLSMTSA-N 432.975 4.740 30 10 IJEE C=CC[C@]1(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)CCCN1C(=O)OC(C)(C)C 1516796997 LCXFWFYYPARPKT-JOCHJYFZSA-N 447.919 4.779 30 10 IJEE C=CCC[C@@H](NC(=O)c1cnc2sc(C)c(C)n2c1=O)c1ccc(C(F)(F)F)cc1 1519590045 OEFWTOSKDUXYCK-QGZVFWFLSA-N 435.471 4.829 30 10 IJEE CC(C)(CNC(=O)c1ccc(Br)cc1C#N)c1cccc(Br)c1 1519958668 CSGSLGYPSLFTTG-UHFFFAOYSA-N 436.147 4.791 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncc(CCC)s2)nnc1-c1ccc(Cl)cc1 1520327802 VWRWIQUBQHIYIL-UHFFFAOYSA-N 433.990 4.924 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1 1521272270 TZQSAXSGKIAKQP-UHFFFAOYSA-N 436.552 4.798 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)c1ccc(Br)cc1 1525053791 FRJFVYHCBZSXAM-FQEVSTJZSA-N 445.320 4.596 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1csc(-c2cccnc2)n1 1528000902 KPZQKBOSJCDLRH-UHFFFAOYSA-N 430.327 4.714 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)C(C)(C)C)cc1 1529501539 VARQJJPXZLXLOS-QFIPXVFZSA-N 428.479 4.850 30 10 IJEE C[C@@H](C#N)N(C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)C1CC1 1531360330 DXUXZWIDIMEQID-LBPRGKRZSA-N 431.443 4.531 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 1535721109 AYKDAXYTTXAUFR-ABCSWIFBSA-N 441.560 4.703 30 10 IJEE C#CCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@@H]1CCCc2ccccc21 1538323968 PFCQEHUVCMTBSJ-OAQYLSRUSA-N 440.337 4.570 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CCCC1(C)C 1538657372 LHVNJPAKOOXJKV-SFTDATJTSA-N 430.589 4.724 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1539052149 NFVPMMCIKBJIRQ-UYAOXDASSA-N 443.389 4.516 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(CC)noc1C 1539148710 NOIBSYQFIWAAGD-QGZVFWFLSA-N 441.963 4.665 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1cccc(C)c1 1539595518 CQVUPDWYXBEEOK-OALUTQOASA-N 431.378 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1539616906 SNCRDKWAFLWCIJ-JWPKLBNJSA-N 428.552 4.631 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CCC(C)C 1539622416 FVPLNLATDGSXKN-PZJWPPBQSA-N 442.995 4.741 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 1539644819 CMYBHDXKVLXFHI-PLTNMMHCSA-N 444.553 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C)CCC1 1539669510 RXCQTBJJXFDMJA-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1539707922 RGBJVSDEFNWOAX-OAQYLSRUSA-N 425.596 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1539923738 IAGGLRNJRBWJJA-UHFFFAOYSA-N 426.580 4.546 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1539946589 CJESSUWDZZXCGY-ROKPMTFOSA-N 432.616 4.982 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C(C)C 1539999786 RPBDJSJUWPGJQO-NRFANRHFSA-N 434.588 4.827 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540014823 XACLHIBNJUYGLO-HKUYNNGSSA-N 438.494 4.596 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1540077880 UJUYOUNVXJJBAT-LJQANCHMSA-N 448.011 4.694 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(Cl)=C(Cl)C1 1540855992 KHSHXROQMDSZHQ-UHFFFAOYSA-N 432.124 4.932 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)s1 1540903425 ALIRWFLQMLUFBM-GJZGRUSLSA-N 430.083 4.713 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 1543239912 LTPWGGDWEDRPET-KRWDZBQOSA-N 430.467 4.793 30 10 IJEE C#CCC1(O)CCN(C(=O)c2ccccc2SCc2ccc(Br)cc2)CC1 1558102920 ONPZRCVIACIDPV-UHFFFAOYSA-N 444.394 4.732 30 10 IJEE CON1CCC(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 1562436787 CGFKHVJEUVHLQM-UHFFFAOYSA-N 434.418 4.517 30 10 IJEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](c3ccccc3)c3ccccc32)cc1 1562623344 FKBIEZVCQUAPBK-HTAPYJJXSA-N 431.517 4.556 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)c(C#N)cn1CC 1562960164 DNKUWELDGSONEC-FQEVSTJZSA-N 434.471 4.607 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)C[C@H](C)O2)[C@@H]1CCOc2ccc(Br)cc21 1563317989 BXBVUKDHKFENPC-IFXJQAMLSA-N 441.325 4.763 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1ccc(Br)cc1 1565000559 ZRSLIHIVLBWKPD-VXKWHMMOSA-N 441.369 4.557 30 10 IJEE CCCc1c(NC(=O)c2cc3c(nc2O)CC[C@H](CC)C3)cnn1-c1cccc(C#N)c1 1567770160 RYFFAWPITBKUSK-INIZCTEOSA-N 429.524 4.564 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)c1 1585973140 JUEHOSIIBRQTBZ-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(C)(C)F)c1 1586900537 CUVFKWPLDJLTOT-UHFFFAOYSA-N 438.952 4.589 30 10 IJEE N#Cc1ccc2nc(NC(=O)c3csc(-c4cc(Br)cs4)n3)[nH]c2c1 1587347348 HYUUKGMUSDVGLA-UHFFFAOYSA-N 430.312 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCN(C)C1CCCCC1 1587645680 MCHCMGVVBVKJHZ-IBGZPJMESA-N 428.024 4.635 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1587723514 LVTMWEIPIHHMBX-LJQANCHMSA-N 439.947 4.878 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@H]1C(=C)C 1588271295 HPXIVQOZYCCBMU-RTWAWAEBSA-N 447.608 4.818 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC1CCC(OC)CC1 1588276232 JEHQKBPOLBJZRH-UHFFFAOYSA-N 431.584 4.857 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1cccnc1)C(C)C 1588302261 QVFCNHPXYCSTMN-QFIPXVFZSA-N 426.568 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCCc1nnc(C)s1 1589151292 WNOMBGXNWFNDQM-GBXCKJPGSA-N 434.613 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1C 1589259325 LQFVHROVWXOTFV-PBQROFAYSA-N 441.620 4.778 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](C)[C@@H](F)C1 1589316636 FFTGMWFXYJUIIO-JMSVASOKSA-N 439.398 4.834 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1593781886 APGCBDKRQQWANE-QGZVFWFLSA-N 445.489 4.633 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCN2CC)CC1 1594194490 WIDRGWWDRZXWJU-CTNGQTDRSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC(C)(C)[C@H]1C 1594473246 NXPDUAYFQQUMLO-QGZVFWFLSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1594477721 IDOZPEKNNLAAEB-UHFFFAOYSA-N 446.599 4.671 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)c1nc(C)cs1 1595222456 ATCWDCAPENRBBT-OAHLLOKOSA-N 429.540 4.894 30 10 IJEE C=CCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CCC2 1597688911 MDOBLMRMHPKAGK-SDXDJHTJSA-N 445.950 4.797 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 1597958618 PTHOUDAFPSCHBD-OAQYLSRUSA-N 440.515 4.849 30 10 IJEE CC(C)NC(=O)Nc1ccc(Cn2c(C3CCCC3)nnc2N(CCC#N)CC2CC2)cc1 1610170003 CMPNBIZFUBCILU-UHFFFAOYSA-N 449.603 4.644 30 10 IJEE C=CCc1cc(CNc2nc(C)nc3sc(C(=O)OCC)c(C)c23)cc(OC)c1OC 1611886236 CUAOSSLDLYKBBM-UHFFFAOYSA-N 441.553 4.843 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1623170132 AJQXKPDFCKYZFS-DEOSSOPVSA-N 448.494 4.960 30 10 IJEE CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1=O 1625291949 GDJRLDCDUXSVLS-WBVHZDCISA-N 425.916 4.980 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c(Br)cccc21 1626829154 WWKYBCUXLUOFJC-HZPDHXFCSA-N 443.769 4.589 30 10 IJEE C=C(C)CONC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 1628314792 ZPLAVTAVZPZPFX-UHFFFAOYSA-N 428.492 4.642 30 10 IJEE C#CC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1628678388 KAVBOXPBQRSUPD-LADGPHEKSA-N 437.543 4.650 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 1628681016 SAPGRTGCYKHQIP-AREMUKBSSA-N 448.588 4.600 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 1628946731 KZZWHJVFIMZJEI-KRWDZBQOSA-N 428.985 4.534 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CSc1nc(-c2ccccc2)no1 1629600415 DPYLPJHEBAUURL-UHFFFAOYSA-N 446.326 4.795 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=[S@@](=O)(CC)c1cccc(Cl)c1 1637323702 YHWUPVZMRPRXPT-YVORESIASA-N 435.373 4.749 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)Nc3ccnc(OCc4ccccc4)c3)o2)cc1 1640068124 GMURLKAZAXNVDJ-UHFFFAOYSA-N 425.444 4.957 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1 1641943425 GOVWOZSRSHXOFZ-KRWDZBQOSA-N 447.988 4.941 30 10 IJEE C=CC[C@]1(C(=O)NCC(=O)c2ccc(F)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1644101497 ITXOOIHVGYOQGS-RUZDIDTESA-N 440.515 4.624 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCCN1CC 1649539835 RKWCLYLCGZEVDW-RXVVDRJESA-N 448.640 4.709 30 10 IJEE Cc1cccc(-c2ccc(CNS(=O)(=O)c3ccc(Br)c(C#N)c3)cc2)c1 1654271547 IASZZZFCTVQDQR-UHFFFAOYSA-N 441.350 4.775 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2c(F)cccc2Cl)nnc1-c1cccc(OC)c1 1656343760 ICFADFYZGGKPAF-GOSISDBHSA-N 447.919 4.939 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1cc(Cl)cc(I)c1 1658166483 BVYPGCGXGISGBZ-UHFFFAOYSA-N 446.115 4.900 30 10 IJEE C#CCC1(NC[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCOCC1 1660224271 OFKJDQOCRDRMRH-JOCHJYFZSA-N 448.390 4.622 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)cc(OC)c1OC 1667710928 BQQGOIFABJULDS-CQSZACIVSA-N 438.446 4.891 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1670658924 DPXMUZWCTGZZFO-OAHLLOKOSA-N 435.337 4.680 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3C[C@H]4CC[C@@H]([C@H]3C)N4C(=O)OC(C)(C)C)cc2n1 1675017807 MRLBSESQIZEYBZ-FCBIJRMHSA-N 439.560 4.520 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccccc1 1675394437 WHAHDGQYZOEQPO-VWLOTQADSA-N 441.531 4.658 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 1676657809 SVLLGCPOJVCVQW-QFIPXVFZSA-N 427.614 4.928 30 10 IJEE C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1681580589 HDAITHPWBZDQOK-DWDSAAQBSA-N 432.568 4.915 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690200048 JBORWFGNFGOIAD-WDZJFXIESA-N 436.600 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)CC[C@H]1C 1690249072 SVSTZGYPMOSNSD-NWFVXXGESA-N 430.543 4.753 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](CC(C)C)C1 1690287855 XMWDYBZATWCVIP-IBGZPJMESA-N 431.625 4.841 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1690316674 JEWVOMZSDZVHCQ-HXUWFJFHSA-N 426.605 4.537 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCCCC2)CC1 1690396845 NUZNRDVTUGKYDJ-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(N(C)C)CCCCC2)CC1 1690417602 YXRDXCIHHIJIAZ-FGZHOGPDSA-N 443.680 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1690430365 JFSIGYMWMARMCT-UHFFFAOYSA-N 431.625 4.889 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690451520 IVABSQVHLFIFRD-ZCNNSNEGSA-N 429.584 4.832 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccnc(SC)c1 1690519221 BDFXDNBWNVOKCP-UHFFFAOYSA-N 447.564 4.905 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cccc(Br)n1)C1CC1 1690539638 HGZMQBMFKQOCNL-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC[C@H](O)C1 1690605761 WFMUKUSHIKGPLD-RXVVDRJESA-N 440.975 4.978 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1690749912 UPEDMQHMHJFIJR-FQEVSTJZSA-N 448.583 4.956 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)C1 1694433751 DUBPIVBODCXFBJ-QHCPKHFHSA-N 435.601 4.640 30 10 IJEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1705515510 GBFLYRSWYIMXKX-KRWDZBQOSA-N 438.469 4.770 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCO)CCc1ccccc1 1705527465 YTTSGVCPXYUBOK-FQEVSTJZSA-N 448.636 4.586 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCS1 1705585665 HWFHOKQFRKUPRX-KRWDZBQOSA-N 449.407 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCSC1 1705602097 ITASEEDNIMIYKV-SFHVURJKSA-N 445.057 4.830 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCC(C)(C)COC 1705607572 IVFMWJBVWYWIAY-UHFFFAOYSA-N 439.423 4.681 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1705654549 MCHRXVRXXQKBII-MRXNPFEDSA-N 447.446 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1705708704 GEMKSOJPPJHGLK-CVJWPJSTSA-N 449.599 4.585 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705723549 BBYABANEZLJOBC-NVXWUHKLSA-N 438.494 4.953 30 10 IJEE C=C(C)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCCN1C(=O)OC(C)(C)C 1705728363 HTRDQCQOBIBJSV-IBGZPJMESA-N 441.580 4.666 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccco1 1705732819 JDKPKEVVCYSKQI-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1705735871 HAXSDHJKBCMSAQ-HSZRJFAPSA-N 433.556 4.591 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(Cl)s2)CC1 1705775804 MRYZIPPGOCYUIU-UHFFFAOYSA-N 436.025 4.557 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1)c1ccccc1 1705797305 UDMQVYXEDIFYQO-JOCHJYFZSA-N 449.643 4.722 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cl)c(OC)c1)C1CC1 1705850643 CDAIXPGEIHLETQ-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC2(CCC2)C1)C(C)C 1705867748 VCICUZXKXYEIOY-QHCPKHFHSA-N 434.632 4.728 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nccs1)C(C)C 1706494674 DVYFONLZWGLTRJ-SFHVURJKSA-N 438.601 4.860 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCO)CC1)SC 1708672379 BGDLPMMELSESNT-UHFFFAOYSA-N 441.645 4.727 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCC(F)(F)C1 1722304442 XPDZPVHFFVFPGD-MSOLQXFVSA-N 432.515 4.539 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1722341393 XFCGOMAGGGBLBA-WWPVKYPJSA-N 438.616 4.773 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1Cc1ccnc(SCC)c1 1722420335 HKXSRIKHUYDYGS-UHFFFAOYSA-N 437.588 4.811 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H](OC)[C@@H](C)CC 1722469678 ISIOIALSVYPWHL-XWFZLUIHSA-N 445.405 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1 1722469866 MMDISRYYOFWSDB-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCCN(C(C)(C)C)CC1 1722496924 OWIYCJGECBLQEG-FYYLOGMGSA-N 437.632 4.545 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOC)[C@@H](C)C1 1722518796 NGSDTCJYZYDHJS-INIZCTEOSA-N 446.020 4.546 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722524470 SANIUZJDMZLPBV-QFIPXVFZSA-N 425.596 4.532 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)c1ccccc1 1722541132 VCSXJLIQPKGBPY-VQIMIIECSA-N 448.514 4.800 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCCCCC[C@H]21 1722546063 FMQDLDPNFSKUFB-GOEBONIOSA-N 438.801 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1722562579 DYQWPOYLCKPCJJ-CJFMBICVSA-N 440.588 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722589765 WWNWQDDYYROBOP-IBGZPJMESA-N 431.625 4.526 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSC[C@H]1C 1722602889 CYINZZGOZGUCKK-GOSISDBHSA-N 449.665 4.691 30 10 IJEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C 1722605483 JEFZGMNHMVISRB-UHFFFAOYSA-N 437.979 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1ccccc1Cl 1722663534 AIDQVHKPFYSMKZ-GOSISDBHSA-N 428.989 4.932 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1ccc(OC)cc1C(F)(F)F 1722669216 AZCILNHUACCWSN-UHFFFAOYSA-N 431.462 4.538 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1=CCCCC1 1722678492 AEHDUQUAIILQHP-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE CC[C@H]1CCCCN1CCn1c(CC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1727712898 GNVRZKMOLKPIAU-QHCPKHFHSA-N 434.632 4.782 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1740568816 QTTHXCWALYSDPM-UHFFFAOYSA-N 449.643 4.931 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN(CC)CC)C1 1740571030 VWQFIEJHTVNVAK-GOSISDBHSA-N 431.987 4.709 30 10 IJEE C#CCCCn1c(N(C)[C@@H]2CCc3ccccc32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740597433 OEDYYMMWVYIOEG-RZUBCFFCSA-N 449.599 4.586 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@@H](F)C1 1740631646 CRMXYYHTCNFAKK-UYAOXDASSA-N 433.556 4.588 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1740663387 IDIWWGUNRCTMCC-WIOPSUGQSA-N 445.611 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1740734640 LHWRASAADRBJNI-ISJBWFOZSA-N 436.600 4.670 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1740747266 CPRPGXNPHNFAIK-QAPCUYQASA-N 425.415 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)c1nccs1 1740754005 BGTIPIUKTAMORZ-ZWOKBUDYSA-N 441.576 4.762 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1740803203 QSNACPZJGOWPNF-KKSFZXQISA-N 437.371 4.831 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2(COC)CCCC2)CC1 1740821009 ZWEKBYCZKBQPGF-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C(C)(C)C)n2)CC1 1740821551 MOOXGNSYUPHPST-UHFFFAOYSA-N 432.597 4.970 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC(C)CC2)CC1 1740837554 YFVXMVVAELUYKZ-UHFFFAOYSA-N 443.039 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740851058 PKPNUXNQAHTRQJ-UTKZUKDTSA-N 430.543 4.755 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCCCO1 1740915186 XDSUCBRZIGVMAD-HSZRJFAPSA-N 442.567 4.672 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC(=C)Br 1740920119 DKSHKDCXPYWVIO-UHFFFAOYSA-N 442.336 4.504 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)C1 1743020118 GYJJTQGSLQDRNL-QIJUGHKUSA-N 432.572 4.728 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(CC(F)(F)F)CC1 1748703120 JWUPIXMPDUQTPE-UHFFFAOYSA-N 445.489 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H](C)c1ccc(OC)cc1 1748876307 AZNIVOMRWKVLQM-LJQANCHMSA-N 447.970 4.659 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CCc1sccc1C 1748938817 DNTMSGBAZVRQKA-UHFFFAOYSA-N 426.611 4.651 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1ccnc(SCC)c1 1748945371 RIZDLYYFLVNHKT-UHFFFAOYSA-N 435.572 4.880 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccnn1C)C1CC1 1749377668 YMYUSONCTMMGDN-NHCUHLMSSA-N 440.636 4.702 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2CCOC2)CC1 1749393275 QFAVEXBVNICNLV-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C#N)CC1 1749408168 FRPADMDMGNXZJE-IBGZPJMESA-N 442.608 4.836 30 10 IJEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1749493879 MYTPJUMGBJMZOT-BXWFABGCSA-N 436.478 4.782 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H](C)N1CCC(C)CC1 1749538039 RISJIHUTAXKORX-HSZRJFAPSA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1Cc1ccc(OC)nc1OC 1749548407 COGXLFMGDRHFTC-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCSC1 1749548409 CQVUBEQHAUEDLV-NRFANRHFSA-N 447.029 4.721 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1749616142 SCBDPDIJADCQAR-NRFANRHFSA-N 439.604 4.747 30 10 IJEE CS[C@@H](C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1750229961 GTDBDFNWJBBMFA-JKSUJKDBSA-N 434.009 4.953 30 10 IJEE CSCc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)cc1 1750285770 HQVLNHCWIYWXOS-OAQYLSRUSA-N 425.602 4.561 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC[C@H]2C)cc1C 1751539578 BSEWXVCNEWTKSH-WIYYLYMNSA-N 434.588 4.714 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccco1)C(C)C 1760349083 YHBOIKFPJDNVFQ-IBGZPJMESA-N 429.565 4.934 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)C1 1760351489 HTZFRKSOHGVEGU-JPYJTQIMSA-N 448.995 4.670 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1760380735 MCEGLGYYAHGUAX-KRWDZBQOSA-N 435.956 4.640 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1760388470 NNYCRWUYGSMXRL-QFIPXVFZSA-N 430.600 4.716 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1760420784 WEYMWHNKEWLEIH-HSZRJFAPSA-N 444.627 4.591 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760422317 FMSSFESQKLNWPH-IBGZPJMESA-N 438.494 4.858 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCSC2(CCOCC2)C1 1760429749 ODHLNXOGIUNSQZ-UHFFFAOYSA-N 442.629 4.624 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1760435571 NWEGFTYVRLIOIN-AZUAARDMSA-N 425.577 4.569 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760435619 OZJQDLOSLRIDPN-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H](C)CC#N)C1 1762871233 ARZNATORLUMUFP-ROUUACIJSA-N 429.012 4.847 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C(C)(C)C)[C@H]1CC[C@H](C)C1 1769798123 CQMNYGCMGQVAIW-NYVOZVTQSA-N 439.604 4.519 30 10 IJEE COc1ccc(C=NN=C2S/C(=C/c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 1772757771 JXWGRTZWFOLTGI-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(OC)cc1 1861080155 KUTDAXRWSQDZAR-VWLOTQADSA-N 438.612 4.832 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(CC)CC1 1861165243 NUQZZXXKLWBWQE-RUZDIDTESA-N 443.676 4.703 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)cc(OC)c1 1861485024 MCLRXPRWKJFKNM-XMMPIXPASA-N 440.584 4.522 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OC)c(OC)c1 1862419345 TVYGBBMFUHHDNY-OAQYLSRUSA-N 445.462 4.751 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862438813 RFXMYJLLVIYUAV-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(O)c(O)c2)c1 1862489224 SGUDZBGHAKRTRK-JOCHJYFZSA-N 449.528 4.597 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl 1862611459 LVDDINAFZPOFSF-LJQANCHMSA-N 448.302 4.751 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1O 1862677259 BTKIXOLTDKLRNZ-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1O 1862677537 HLNMQLBRHBGSJV-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1F 1862724324 LWEKTYMGIYFXBP-HSZRJFAPSA-N 431.463 4.717 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862745066 AFNVDSTWZBCFQN-BTYIYWSLSA-N 438.480 4.760 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)cc1 1862937999 BFIMYEOJGSYPBA-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(F)cc2Cl)C(=O)N(c2ccccc2C#N)C1=O 1863065620 XIHCFQAAQKUKFJ-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccc(F)cc3)C2=O)c1 1863172841 AHNLQGGTPLTPPP-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1cccs1 1864474507 KMUKQHJDPABYRB-LJQANCHMSA-N 430.618 4.834 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870439466 YQHTYEXALBWIKO-UHFFFAOYSA-N 449.982 4.589 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CNc2ccc(C)c(C)c2)cc1=O 1870813295 FIFSINHRGDYYBO-VWLOTQADSA-N 447.579 4.651 30 10 IJEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CNc1ccccc1C(C)C 1870887060 QMPNJDNUZVSLPA-UHFFFAOYSA-N 439.600 4.797 30 10 IJEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccn2)c1 1871253501 CLJOAQDYMVBERD-UHFFFAOYSA-N 436.515 4.663 30 10 IJEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCC5(CC3)OCCO5)C4)C2=O)cc1 1871359552 QCVXDYWQEDBOHH-QRVIBDJDSA-N 447.531 4.757 30 10 IJEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871372947 SPMVVOWXTPBGPK-NVMNQCDNSA-N 425.780 4.985 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)c1 1871389222 LDKFGZHPUCDYAT-BKUYFWCQSA-N 429.428 4.541 30 10 IJEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCC[C@@H](CO)C1 1871398557 JVMVIVDXWIVITC-HHGUGQKFSA-N 434.319 4.520 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1871895766 BGHJPZKBLOHVHY-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)cc1 1872103422 TVXPUDJAKDPUMO-HSZRJFAPSA-N 439.581 4.851 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872141064 FGDUHSGLZRIZDK-GOSISDBHSA-N 427.353 4.587 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872226476 XSTBIVUVEIMPPC-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872267369 GJJIFVRDSSITJW-CVDCTZTESA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872382156 XMFOWLNHJAQUSX-IERDGZPVSA-N 436.524 4.585 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872423099 NCMQKMOXOUWBQP-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872550185 ODIJUHUEXWWDRS-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1Cl 1872785530 PBOTYMMEDJGPBQ-AWEZNQCLSA-N 427.869 4.799 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OC)cc1C)n2CC(C)C 1873656504 CBHFNHGHFRSLAJ-UHFFFAOYSA-N 433.556 4.835 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1O 1874218082 UCKLAFBZQZXFMK-FSJBWODESA-N 428.945 4.993 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(OC)c(OC)c1 1874254600 KEBLKWHSOKZCSO-ZMOGYAJESA-N 440.569 4.794 30 10 IJEE Oc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 1874383965 QCKQKJJJMYDRIN-AFUMVMLFSA-N 434.496 4.876 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1cccs1 1874414007 XBCPQNGXWCODSW-KGENOOAVSA-N 447.655 4.615 30 10 IJEE COc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)c1O 1874423105 VGZXNNJQLDRFFB-HZHRSRAPSA-N 436.562 4.938 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 1874426284 AFBDZQCGADAJPZ-AFUMVMLFSA-N 432.480 4.957 30 10 IJEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SC)ccc1OC(=O)c1ccccc1 1874435449 HOKTXDRCLHJGIJ-BUVRLJJBSA-N 438.553 4.699 30 10 IJEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874476875 XEEPVFZNBRLPRE-ZVHZXABRSA-N 440.569 4.826 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C1CCC1 1874493264 CTQYLAHUUVPKBB-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCc3nc(O)c4ccccc4n3)c2)c1 1874594076 QNLDYHXSJFVGRZ-ZRDIBKRKSA-N 442.471 4.828 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)OCC(C)C 1874613097 BUTUBUYRBIZSMW-BJMVGYQFSA-N 432.900 4.831 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1C 1874620712 PDXVCLGIUXKTCH-IZZDOVSWSA-N 443.499 4.988 30 10 IJEE COC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1Br 1874626542 KGKTWTUHZSLUDR-VMPITWQZSA-N 433.298 4.522 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)cc1 1875113986 IOHXQXZKIABNEO-NTUHNPAUSA-N 433.416 4.727 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 1875116181 OQMZFTWTFJCEAS-WLRTZDKTSA-N 447.443 4.656 30 10 IJEE C=C(COC(C)C)[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479889 URKCPHSSJZTFGJ-PKTZIBPZSA-N 434.621 4.836 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(Br)cc1Br 1992884791 CVYDALCPJUUJCR-CABCVRRESA-N 448.199 4.551 30 10 IJEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC(F)F)c3sccc23)OC1(C)C 2005008584 ABOUDWLSYVGOPW-UHFFFAOYSA-N 430.329 4.867 30 10 IJEE N#Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CC3)cc1 2040417042 PAQAYWBFKCUBIX-UHFFFAOYSA-N 449.466 4.982 30 10 IJEE CC(C)(C)OC(=O)c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1N 2079164818 JPIHYNFSHJNFNQ-UHFFFAOYSA-N 427.320 4.646 30 10 IJEE CC(C)(C)[C@H](n1nc(C(F)(F)F)c(C=NO)c1I)C1(C)CC1 2079873489 PPQHTCOCSBECPC-NSHDSACASA-N 429.224 4.702 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cccc1Br 2116837900 BGQJUSPLSMYBFF-AEFFLSMTSA-N 427.358 4.936 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)N(c2cc(Br)cc(C#N)c2)CCN1C(=O)OC(C)(C)C 2174818348 YQPMGJRDRCULFR-IAQYHMDHSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ccc(C#N)cc1Br)C1CCCC1 2204186746 GNMGAVJZGBEFIE-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE C=C(Br)CCNc1ccc(Br)cc1I 2210060609 LUBAWTUXHCWAIB-UHFFFAOYSA-N 430.909 4.764 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C)NCCC 2217949161 QVPBSKGCYOONJA-XZOQPEGZSA-N 446.632 4.932 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CCC 2224263414 WKNDDBURTZBZOY-WMLDXEAASA-N 429.403 4.566 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1F 2231059329 FIVCSXBXJVVMHJ-UHFFFAOYSA-N 448.344 4.871 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)cc1 2232311480 JQQAVJNRDZVCKO-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CCCC1(C(=O)Nc2ccc(Br)c(C#N)c2)CC(NC(=O)OC(C)(C)C)C1 2233459058 PPWBXRXBDDSDFW-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2235720079 HAOZMTLPXDFONJ-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2235728116 QFCOXFGVRYZNTP-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](N)C#Cc2ccccc2Br)C12CCCC2 2235745769 FRNRZQVHKQEMEM-HKUYNNGSSA-N 433.390 4.698 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254801923 AGPGGUYGEMAUJV-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CCN[C@@H](C#CC1CCCC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2260984834 QFLWGSUBSUSMBR-DEOSSOPVSA-N 439.644 4.718 30 10 IJEE C=CCCC1([C@@H](O)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266231088 BXJOYJHYLAECOD-INIZCTEOSA-N 432.305 4.964 30 10 IJEE CC1(C)OB(c2cnc(Nc3ccc(Cl)cc3Br)c(F)c2)OC1(C)C 2269006404 JIFJLOGTSSFWAD-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE Cc1ccc(N=C2SC(=Cc3ccc(Br)c([N+](=O)[O-])c3)C(=O)N2C)cc1 2293701493 KRPJNADNOIUQME-UHFFFAOYSA-N 432.299 4.900 30 10 IJEE C#CCOc1c(Br)cc(C=C2SC(=NCC)N(CC)C2=O)cc1CC=C 2313556480 ANYYOMSBERJFPP-UHFFFAOYSA-N 433.371 4.502 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C(=O)OCC)o2)cc1 2318581915 AFFUFCKVZCSZQP-UHFFFAOYSA-N 442.541 4.791 30 10 IJEE CC(C)(C)c1ccc(C=CC(=O)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2318789148 ZVXWXWJPYMGTQB-UHFFFAOYSA-N 437.495 4.981 30 10 IJEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCCN(C)C)C3 2322122715 BAELCRNKDXSJNK-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1cccc([N+](=O)[O-])c1 2322308382 HXKZSAGRUMCJIP-UHFFFAOYSA-N 432.476 4.891 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(-c4ccccc4)cc1)C3=O)CN(CCCO)CO2 2322353531 WAGQUYDOVCXELG-UHFFFAOYSA-N 427.500 4.813 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3c(OC)cccc3OC)c2C)C1=O 2322749001 RNAQEWOJIVWMQI-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)NCc3ccco3)c2)cc1 2323154097 UASVKIWLTMATPU-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCCO)c(OCC)c2)cc1OCCC 2323750060 RAANJVMBXKRGJA-UHFFFAOYSA-N 428.525 4.930 30 10 IJEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1OC(=Cc1ccco1)C2=O 2323908049 NPSXDYIKJBGFBA-UHFFFAOYSA-N 432.428 4.985 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4F)c3C)C2=O)c1 2325739393 YIXAZPCEZQIMRO-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325739503 BKHUQEDYFJDCKY-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c1 2325747722 WLQFNYXLDVUXRO-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(O)c(OC)c1 2326513024 BNJFEJIQFXUZNT-UHFFFAOYSA-N 432.933 4.527 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc(O)cc1 2326619532 AQHJIGKKSYLOFP-UHFFFAOYSA-N 431.359 4.873 30 10 IJEE CCOc1ccc(OCc2nnc(SCC)n2N=Cc2cccc(OCC)c2)cc1 2326660402 SIINWTASMCIBJK-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2327233311 PWMZAFBBSJFEBJ-UHFFFAOYSA-N 445.932 4.948 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(OC)c(O)c1 2327300415 XQUTWIBJNPONJA-UHFFFAOYSA-N 440.569 4.881 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2327675815 IHPYZWQWPHFQPD-UHFFFAOYSA-N 430.917 4.593 30 10 IJEE CCc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329026173 GUNCYCPXXVPOSH-JOCHJYFZSA-N 447.608 4.739 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)c(O)c1 2330200137 QBUFXYMJBLJAED-UHFFFAOYSA-N 444.560 4.692 30 10 IJEE O=C(O)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 2330493444 WFYARRJVWJYZRX-UHFFFAOYSA-N 442.544 4.784 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccco2)c(C)c1 2330615937 KDLMUDJMGFZZOE-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2[C@H]2CCCO2)cc1 2330911344 PKEFAJWSVZSLIR-OAQYLSRUSA-N 449.580 4.613 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2331018173 FMKKKUUCRGNKHL-UHFFFAOYSA-N 439.370 4.754 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1N=Cc1cccc(Cl)c1)Nc1ccccc1 2331170187 DDRHJYBCUOXCEC-UHFFFAOYSA-N 437.912 4.805 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1C(C)(C)C 2331382145 BJTNNUKMOLBJQV-UHFFFAOYSA-N 437.569 4.506 30 10 IJEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c1 2331434141 BWCXWPCZMUAAME-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1 2331877014 CXKJZGPTDBGKPT-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(COC)c1 2337136244 CROBGRRSIIRELW-ROUUACIJSA-N 427.383 4.716 30 10 IJEE CCN[C@H](C#Cc1cccs1)c1ccc(Br)cc1I 2338249052 JKVYWAWJXANJKY-OAHLLOKOSA-N 446.151 4.818 30 10 IJEE CCc1csc(C#C[C@@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)n1 2338650237 BLWYLXYNTJZANV-MRXNPFEDSA-N 436.375 4.867 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CC(N)(C(F)(F)F)C1 2340420490 KLODYJCFKVYKJZ-UHFFFAOYSA-N 434.256 4.507 30 10 IJEE CC(C)(C)OC(=O)N1[C@@H](COc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@H]21 2358967635 YQWIOTCARLWTAP-FRFSOERESA-N 436.350 4.663 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H]2CN(Cc3ccccc3)CC3(CCC3)C2)n1 2362166927 GDDBMIWOGMYZKD-HSZRJFAPSA-N 447.432 4.546 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@@H](O)C#Cc1cccc(Br)c1 2363477318 OYPFCUKAAVYVGD-OALUTQOASA-N 436.390 4.977 30 10 IJEE Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 17095127 HTWKSBDSVHKZEH-ZSEKCTLFSA-N 426.854 4.934 30 10 IJEE COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 28052617 ZYMOLLKMKRGOHF-MZNJEOGPSA-N 446.503 4.967 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)c1 35444166 ANSAXLZDYHSYLI-KMAVEXBHSA-N 440.499 4.658 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 40079487 STEASCYVFZISGP-HSZRJFAPSA-N 436.552 4.918 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c1OC 41292421 AREZVVYZCBABET-BKUYFWCQSA-N 434.419 4.987 30 10 IJEE CN(C)c1ccc(/C=N\N=C2\S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)cc1 47139224 SZSCZZFSLYYEAP-QXZAMSPYSA-N 446.532 4.558 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1F 100222794 ZNDSHXDHYVLDQN-QFIPXVFZSA-N 448.579 4.621 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 169936507 OCSFVFTUUWAULP-DEOSSOPVSA-N 436.577 4.841 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1cccs1 169982634 GKSPODYUCXMGRR-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccncc1)c1c[nH]c2ccccc12 170024819 LSWMEABJYPIROA-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccncc1)c1cccc2ccccc12 170026681 BKTOOKIEPZIURD-QHCPKHFHSA-N 446.466 4.894 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170055215 HXVYEDJKJJDGMJ-JOCHJYFZSA-N 446.434 4.555 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c1 170102915 FFOJTYMYDCRMTN-JOCHJYFZSA-N 435.451 4.557 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccnc1 170195994 TVWJEEXROYNDJG-SFHVURJKSA-N 429.314 4.613 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccc2ccccc12 170220399 NSLBAFSMYKOYMC-XMMPIXPASA-N 445.515 4.852 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(F)cc2)c1 170238793 RPGSWULDWOUFBJ-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)c(OC)c1 170251581 CXGJUJLTOZOOCN-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccco1)c1ccc(Br)cc1 170279718 IDXKMFFWZMBRSZ-KRWDZBQOSA-N 444.306 4.882 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170292482 UJFZKJIGBUEXHP-HXUWFJFHSA-N 434.835 4.853 30 10 IJEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(C)c2)c1 170408433 ZJJWHAHDKCUSID-QFIPXVFZSA-N 431.444 4.605 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170451938 PDBFOYIYNRAPIA-HSZRJFAPSA-N 446.503 4.917 30 10 IJEE COc1cc(-c2nc3ccccn3c2N=Cc2cc([N+](=O)[O-])c(O)cc2Cl)ccc1O 252620266 MANIAMLXQYJHCF-UHFFFAOYSA-N 438.827 4.733 30 10 IJEE COc1cc(O)c(C=NNc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1 254394210 HMQXPTKOKXZEAP-UHFFFAOYSA-N 426.476 4.979 30 10 IJEE COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N 303383801 WPIMIHIMSPXPFC-GFCCVEGCSA-N 441.372 4.653 30 10 IJEE CC1(C)OB(c2ccccc2NC(=O)c2ccccc2OCc2ccccc2)OC1(C)C 405022786 XYCJQUHMWWQIOT-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 439565501 DIIAWZCIIVMOQD-LJQANCHMSA-N 442.519 4.695 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 508803468 XTFLIEKROGEYHU-PKTZIBPZSA-N 447.627 4.625 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526514313 CUWIOPWEBCHJSM-XMMPIXPASA-N 442.471 4.815 30 10 IJEE COc1cccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(C#N)cc2)c1 526823060 DBWZTKZJXVHDRK-PKAZHMFMSA-N 439.544 4.924 30 10 IJEE C[C@@H](NC(=O)N1CCCN(Cc2cscn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 542084879 GWSUBEJISRMMRF-LJQANCHMSA-N 445.592 4.660 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2cccs2)C1 555249765 ZYLSFEMQJLQZMS-APWZRJJASA-N 428.533 4.773 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)c1 585825546 IFHLTIAEGBBTNJ-DLKBPIKBSA-N 441.959 4.652 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(Cl)c2)c1 586249118 QQBVFVVOQVDDMI-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE COc1cc([C@@H](C)NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)ccc1OC1CCCC1 609097665 CGFSFJZROQMHSI-JPYJTQIMSA-N 433.552 4.734 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(CC)cc1 742214579 GMYLLXCCPVUPHS-OAQYLSRUSA-N 437.540 4.762 30 10 IJEE N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 744016349 LKJJAODOBLTQRX-BPLDGKMQSA-N 425.460 4.534 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2cc(F)cc3cccnc23)nnc1-c1ccco1 767498838 FPEJIXRJOKTPKQ-UHFFFAOYSA-N 438.484 4.637 30 10 IJEE Cc1nc(NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1 770769337 KUCUCQNJDSIQLP-IBGZPJMESA-N 431.496 4.599 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CCN(C)C)Cc2cccc(C)c2)s1 1125846928 BBWCPHOVGDZIPO-UHFFFAOYSA-N 438.062 4.737 30 10 IJEE C#CCN(C(=O)c1ccc2cc(C)ccc2n1)[C@H]1CCOc2ccc(Br)cc21 1126227639 CJFNCDDGYOWYNN-NRFANRHFSA-N 435.321 4.905 30 10 IJEE C=CC[C@@]1(C(=O)N2Cc3ccc(Br)cc3C2)CCCN1C(=O)OC(C)(C)C 1127902604 RJARPEDTCVDQDB-NRFANRHFSA-N 435.362 4.637 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(F)c(Br)c(Cl)c2)c(OC)c1 1128837096 PGVMVARBIYMTJJ-UHFFFAOYSA-N 428.685 4.996 30 10 IJEE C#C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1ccc(F)cc1 1129716271 CTWMLGZLXYLOSA-MRXNPFEDSA-N 449.322 4.812 30 10 IJEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCCc2ccccc21 1134093592 QVDZZRWFIHTANW-HTAPYJJXSA-N 441.358 4.886 30 10 IJEE C#CCN(C(=O)CSc1nccn1-c1cccc(OC)c1)[C@H]1CCCc2ccccc21 1156932915 PYUWKLRBQTWFAW-QHCPKHFHSA-N 431.561 4.512 30 10 IJEE C=CCn1c(SC/C=C\C(=O)OCC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1164535395 SQCZWBVOASXDAR-SREVYHEPSA-N 444.553 4.970 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(C(=O)OC)c(Cl)c1 1164610932 DVTKIJKSPJICCP-UHFFFAOYSA-N 447.919 4.915 30 10 IJEE C=CCn1c(SC[C@@H]2C[C@H]2C(=O)OCC)nc2sc(-c3ccccc3)c(C)c2c1=O 1165445821 PMAYABOUFIKLQI-DLBZAZTESA-N 440.590 4.911 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1CC(=O)OC(C)(C)C 1171734270 DKXNMNUYKQHQCW-ROUUACIJSA-N 431.602 4.606 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)c1ccccc1 1176188554 TZPHKAULHQKTLC-PMACEKPBSA-N 438.572 4.962 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 1209662741 IBWOVLYRGVTTOX-OAQYLSRUSA-N 432.973 4.562 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)C(C)C 1220600588 OYCNIEYHDNTGPD-YTFSRNRJSA-N 441.616 4.555 30 10 IJEE C=CC[C@H]1CCCN(C(=O)NCCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1 1221438310 BZSCZXOXSBGWLU-QFIPXVFZSA-N 435.568 4.553 30 10 IJEE C#CCN(C(=O)N[C@H](c1cccc(SC)c1)c1cc(F)ccc1F)C1CCN(C)CC1 1222633046 RXIJLBCJNCVCMN-HSZRJFAPSA-N 443.563 4.515 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1252449141 NNMGVSIKGIWWOK-VDGAXYAQSA-N 433.980 4.739 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)c1ccccc1 1265244357 YIDUKVMOXPTUCP-OAQYLSRUSA-N 442.581 4.558 30 10 IJEE Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc(Br)c(C#N)c1 1274484234 BMSRWCSRIRFEEJ-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 1275389611 LLYOXQYMFGLUQP-UHFFFAOYSA-N 443.341 4.849 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(Br)cc1 1275463062 HYATXLREBAODBJ-LJQANCHMSA-N 427.323 4.589 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC1CCOCC1 1286282363 PHYINJKWTLIPIK-KRWDZBQOSA-N 445.405 4.681 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1ccsc1)N(CC)CC 1286282575 ODYPMZCPYWHHNN-GCJKJVERSA-N 437.613 4.556 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCN1CCC(C)CC1 1286457825 DINPBBZOTJUANU-UHFFFAOYSA-N 439.623 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)C1CCCC1 1286549572 ALLZVKKMWNWUBH-MBSDFSHPSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C1CCCCC1)N(C)C 1286567885 YBBVBUZTRUYIPR-QFIPXVFZSA-N 440.592 4.766 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCC[C@@H](C)C2)CC1 1286639904 DCFQCEJJNDXLDL-HXUWFJFHSA-N 438.576 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1286669396 DSYGUEMLARWYOY-GOSISDBHSA-N 427.549 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nnc1C(C)(C)C 1286677175 ZZHVFRLAEPRMGU-UHFFFAOYSA-N 439.652 4.726 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1286683748 ZFOJURGWXLMJCD-YSIASYRMSA-N 431.625 4.887 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1C1CC1 1286728769 HEZBNELTVSSCLU-LJQANCHMSA-N 432.037 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1cccc(N(C)C)c1 1286750082 OSKUARVLFQUJHM-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N1CCC[C@@H](C)C1 1286758790 DLAHZULZBKEDNE-NHCUHLMSSA-N 432.616 4.649 30 10 IJEE Cc1c(NC(=O)CCCC(=O)Nc2ccccc2C#N)cccc1C(=O)Nc1ccccc1 1292325451 GWSHRTBIGQUYSR-UHFFFAOYSA-N 440.503 4.867 30 10 IJEE CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(c2ccncc2)CC1 1294236409 HQQJHZVYBGEQKU-UHFFFAOYSA-N 443.599 4.755 30 10 IJEE CO[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N(CCC#N)CCC(C)C 1299538013 HMXDUIXZJHWUOB-MRXNPFEDSA-N 434.382 4.509 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CCC(C)(C)C)CC1 1300371389 ROQHPLYRLVOHLF-UHFFFAOYSA-N 446.643 4.712 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1c(F)cccc1F 1300744953 CGIFOTIZXABGGG-UHFFFAOYSA-N 447.942 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(OCCc2ccccc2)CC1 1300871372 BOJFQAVXPOOCHX-VWNXMTODSA-N 438.616 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1300872079 FBPXYLOFNHYSSF-UCFCWBNQSA-N 437.632 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1300896854 KUGOKZULPIRDFM-YYDVJCTNSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300912389 ABAMZDBJDKUSOY-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301144004 SLIOOWVPPNREKF-DOTOQJQBSA-N 436.959 4.580 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)C)CC1 1301160726 WFSYGJKQIXZJPA-UHFFFAOYSA-N 425.621 4.688 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1301166577 XKWFTABPMUNXEY-JYFHCDHNSA-N 431.584 4.629 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CCCC2)C1 1301246082 PALAAFGQEBYZSO-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn2ccc(C)cc2n1 1301372769 OLCAJJLFGVNSOM-LJQANCHMSA-N 446.530 4.740 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(F)cc1C 1301426768 WHRXPCYEJSXBRB-FGZHOGPDSA-N 444.595 4.526 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccs1)C(C)C 1301531816 YKNKDUKPLWFWGW-HXUWFJFHSA-N 438.597 4.872 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1301601999 WOSAEVLRLLAVNI-WOJBJXKFSA-N 427.643 4.846 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)s1 1305961371 FRBUYKPLURWLBB-JKSUJKDBSA-N 427.549 4.968 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1306849590 WYCIQLHMCNWXOJ-UXHICEINSA-N 435.326 4.768 30 10 IJEE C=CCn1c(SCCCC(=O)N2CCCCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307238397 ZIAIJXKBEVMKAY-MRXNPFEDSA-N 445.654 4.654 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 1308605829 KVBXOSVBORCSLI-UHFFFAOYSA-N 437.754 4.617 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@@H](CC)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1F 1312942179 JUFGFQGTQFRWHU-VXKWHMMOSA-N 431.914 4.771 30 10 IJEE C#C[C@H](NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)c1ccc(Cl)cc1F 1312943298 PKVARNATJGPGHI-IBGZPJMESA-N 436.314 4.702 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCC1 1314059727 AEQMTDKSJDXQQP-ZEQKJWHPSA-N 446.599 4.932 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCN2C(=O)CCc3cc(F)ccc32)c1 1358273226 AUURFIBFHFHCJM-UHFFFAOYSA-N 426.491 4.710 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1359000826 FRNOBLAYUVGWBO-JOCHJYFZSA-N 431.584 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCC(F)(F)C1 1359071757 BLBZFPFPLBJTEN-LAUBAEHRSA-N 433.572 4.842 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC(F)(F)C1)c1ccccc1 1359195710 QKDYCETXMOQGMV-SFHVURJKSA-N 429.540 4.839 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1359213847 JFSAKLUXPQAGMV-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359219972 KJKSIXQTFRDDSV-IBGZPJMESA-N 430.980 4.608 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1359233588 KPZWCXFQFNMFBD-MRXNPFEDSA-N 433.984 4.724 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1359248551 SUXNBVQZXKAZJG-GOSISDBHSA-N 444.023 4.882 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCC[C@@H]1C 1359262183 LAJYIIZTRLGCSC-KSFYIVLOSA-N 444.004 4.799 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1359265268 CAZJUDOWKGFURP-DHIUTWEWSA-N 441.664 4.989 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2CCC[C@H]21 1359339547 JADPKIZAKQQIBY-IEBWSBKVSA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1359344128 MTEOXIWJEMHZHD-MRXNPFEDSA-N 429.540 4.659 30 10 IJEE CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1359738798 DAJPXTLIFHZLGT-JOCHJYFZSA-N 432.572 4.585 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 1360163712 HBADLQKAJHHCGW-UHFFFAOYSA-N 446.484 4.812 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C 1360245005 DTUHLHWPLUMWJQ-FQEVSTJZSA-N 441.341 4.550 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)NCCc2ccccc2OC(F)(F)F)o1 1435535662 CNZHROHLLBDZGZ-UHFFFAOYSA-N 430.382 4.601 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(Br)ccc1I 1439085043 WECVTOPQLXHERU-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE C=CC1(CC(=O)NCc2ccc(-c3csc(C)n3)s2)CN(C(=O)OC(C)(C)C)C1 1440682075 SDFQNQHKQCMTAH-UHFFFAOYSA-N 433.599 4.609 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2(C3CCC3)CC2)c1 1461302243 SEBUGUWAPNENHF-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C=C(C)COc1cc(CNCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)ccc1OC 1461802856 CACNDMITRADQMC-UHFFFAOYSA-N 435.486 4.765 30 10 IJEE C[C@](O)(CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(F)c1 1466229292 DVSRRFFAIMITBT-RDJZCZTQSA-N 438.343 4.655 30 10 IJEE C=C[C@@H](COC)NC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1466230662 XXIKNWQXAQORKG-NWDGAFQWSA-N 438.290 4.828 30 10 IJEE COC(=O)c1cc(Oc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)ccn1 1467280629 CYNSQRJUHHWRCT-UHFFFAOYSA-N 442.475 4.729 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 1467295136 GBPBLUVPHHESRX-DNQXCXABSA-N 440.503 4.881 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 1468216116 OFPVHNUGIKJELY-PZJWPPBQSA-N 442.401 4.762 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)co2)nc2sc3c(c2c1=O)CCCCC3 1472909447 CYRNQYGWLHLNBQ-UHFFFAOYSA-N 430.551 4.585 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1475915570 UECGLWTYMKRKKK-UHFFFAOYSA-N 433.599 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1507519411 ZXZWEGGCISYFJZ-IRXDYDNUSA-N 439.560 4.570 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC[C@H](C)c1ccc(OC)cc1 1507670922 AWPKGJXWNQWMQY-FQEVSTJZSA-N 432.593 4.596 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1507832961 QCSOBRVRECCEFL-KRWDZBQOSA-N 425.602 4.534 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1507886154 XKTZQVOJDPCGLZ-UHFFFAOYSA-N 439.604 4.591 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(SCC)c2)CC1 1507910055 DSLFDXOYHAWXGA-UNMCSNQZSA-N 442.629 4.565 30 10 IJEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507965984 UAUUYYFGYHMKON-GOSISDBHSA-N 438.494 4.537 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC1CC(C)(C)C1 1508006078 HUHYJFDWFHQSRU-UHFFFAOYSA-N 436.585 4.616 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@]2(CC=CCC2)C1 1508060565 ABEWNDIYFOBPEP-NBGIEHNGSA-N 441.620 4.905 30 10 IJEE C=CCCCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 1518517231 PQGQLTHDUULEHR-ZCYQVOJMSA-N 436.552 4.661 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCCCCC1 1519286668 CITIVVUBNBVWAP-FCHUYYIVSA-N 425.573 4.738 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CCCN1C(=O)OC(C)(C)C 1522380637 KBNKHBWNEUEBHF-VWLOTQADSA-N 444.572 4.837 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)c(OC)c1 1523676830 NAQZEEUOATVUFJ-QFIPXVFZSA-N 448.332 4.972 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3c(F)ccc(Br)c3C2)cc1OC 1523962249 LBBZJIQFVJYZQH-WEVVVXLNSA-N 446.316 4.760 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C)c(I)c2)cc1OC 1524699182 HMNNBEGBJBOKMF-YFHOEESVSA-N 449.288 4.825 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)c(OC)c1 1526454922 DLDXTJFQTVJKAD-NRFANRHFSA-N 436.405 4.843 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2nnn(Cc3ccc(F)cc3)c2CC)c1 1528207171 LKDDTCMVLQSZFG-UHFFFAOYSA-N 438.506 4.856 30 10 IJEE Cc1cc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)nn1-c1ccccc1Br 1528931897 BJILSWLORZWIFC-LJQANCHMSA-N 435.325 4.622 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](COCc3ccccc3)C2)s1 1532836563 CUGNLSWRPHSJPU-SFHVURJKSA-N 437.030 4.904 30 10 IJEE O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(C(F)(F)F)ccc1F 1535237389 IDUYPIZFYJAADI-UHFFFAOYSA-N 431.311 4.979 30 10 IJEE C#C[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)cc1 1535483775 RUSXITZVPKSQAR-KRWDZBQOSA-N 429.314 4.745 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(Br)c(OCCC)c(OC)c2)cc1 1536763398 YDULIAUSXKCETH-UHFFFAOYSA-N 433.298 4.616 30 10 IJEE C#CC[C@]1(C(=O)N=[S@](=O)(CC)c2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1538621955 QLWPEHCTTPEAFA-PBBNMVCDSA-N 438.977 4.506 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCC(F)(F)C1 1539026455 VDFWEBSRXGYFAB-MOPGFXCFSA-N 425.527 4.955 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)SC 1539238645 BALMKJCIFNNPLG-GOSISDBHSA-N 445.032 4.903 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@H]1C 1539246088 OBNIUPXYZNKXJH-OAQYLSRUSA-N 449.668 4.613 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCN(C(C)C)C(C)C 1539300723 GIGYNTAXFOTCLF-UHFFFAOYSA-N 426.008 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC=C(C)CC1 1539620631 MJWOPJBPAWPILJ-QUCCMNQESA-N 443.389 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1-n1cccn1 1539677966 LZWAEYNNEKFIHS-FYYLOGMGSA-N 448.615 4.833 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1539691376 XPNVNCCBSCGEIQ-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1539894524 KCNGQZNIRWUMBX-UHFFFAOYSA-N 432.515 4.681 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C(F)(F)F)cc1 1540105889 ADMTYCZJZYTZGD-UGKGYDQZSA-N 429.438 4.793 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@H](C)C1 1540147581 TUTRYLVROGGLNW-FPOVZHCZSA-N 429.634 4.506 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1(CC)CC1 1540191108 COIHBYKKLPOJEY-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nccs2)C1 1540886093 VKKKFNURUPPULE-HXUWFJFHSA-N 437.613 4.723 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1540911610 WVJNJNZVOWHYAM-FQEVSTJZSA-N 425.602 4.520 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N(C)C1CCC1 1540920206 QYALBACUPJHCBS-UHFFFAOYSA-N 437.407 4.528 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(COCc2ccco2)c1 1544499611 OFZPLGJBDJPQJD-IBGZPJMESA-N 434.920 4.971 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(C#N)cc2)on1 1545823232 FKXLMZQNLJYDEA-UHFFFAOYSA-N 441.539 4.788 30 10 IJEE CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N)N1CCCC1 1545951909 DSVFAILUNAQURX-QWFCFKBJSA-N 445.011 4.684 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 1547292097 AUWPDICTVVWXLH-ACIOBRDBSA-N 437.588 4.731 30 10 IJEE Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 1559046434 GXXDXEZQTKXMRR-UHFFFAOYSA-N 428.521 4.687 30 10 IJEE C=CC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F)C(=O)OC 1559325687 WKYDCPZDIGNCJB-QGZVFWFLSA-N 434.439 4.614 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 1562117362 DVZPUQKOVDBCRP-GOSISDBHSA-N 431.330 4.578 30 10 IJEE C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1564468142 HFIAHRWSOWGASI-WZONZLPQSA-N 430.552 4.519 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)c2ccc(Br)cc2)cc1OC 1585444405 BQLHGNRGNPLONS-GXDWLZFVSA-N 430.342 4.956 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1587883831 NEOZRZKVHSKOQJ-UGKGYDQZSA-N 436.581 4.607 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(OC)CCCC1 1588451721 GGBVJIBNLUNFOC-UHFFFAOYSA-N 437.371 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CC)C1 1589494446 LJAMCNMWOSPRRU-GJYPPUQNSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCOc2ccc(Cl)cc2)nnc1C(C)(C)C 1589581934 WTRLTVCMHJXEIL-PXNSSMCTSA-N 432.996 4.725 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2nccnc2C)CC1 1594692806 GUQKFFKJMUQXQQ-UHFFFAOYSA-N 445.615 4.634 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(N(C)C)CCCCC1)C1CC1 1595058474 NFUOUQGGGJBNSP-UHFFFAOYSA-N 429.559 4.566 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C(C)C)N1CCCC1 1595115146 FDFZXEHHHYZLJP-ZEQRLZLVSA-N 437.632 4.833 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@H]1CCc2nccn2C1 1595133884 NQTDTTWHJVSBQH-LJQANCHMSA-N 436.579 4.658 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc(OC)c(OC)c1Cl 1596886236 GSZRKQBUMKRKPT-UHFFFAOYSA-N 440.721 4.866 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2ccccc2F)nc1)c1ccc(Br)cc1 1596984784 GPKCKAGYYGICGY-SFHVURJKSA-N 425.257 4.880 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc([C@H]3CCCO3)n2)nnc1-c1ccccc1OC 1611760855 WPZOAEIMTXQOFO-OAHLLOKOSA-N 429.933 4.586 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 1612233146 COEATYFFGXRWJB-QTEQDKRBSA-N 439.604 4.745 30 10 IJEE C=CCn1c(S[C@H](CC(C)C)C(=O)OC)nc2sc(-c3ccccc3)cc2c1=O 1613427299 XETDUMHJJKRBKF-GOSISDBHSA-N 428.579 4.991 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCC2)C1 1613725637 GMGKKWPZHUMGIK-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1OC 1618307961 IDYZXLCVVURLDF-WKILWMFISA-N 434.305 4.838 30 10 IJEE C#CCCN(CCOC)C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 1618713045 SYRQDLHDSGKPQD-UHFFFAOYSA-N 430.335 4.508 30 10 IJEE C=CCc1cc(CNC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc(OC)c1O 1621004738 HXYXIBRSAHXGLL-DEOSSOPVSA-N 428.532 4.616 30 10 IJEE C=C(Cl)C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)C(=O)OCC 1621479091 SNQLRPFNRNLNCF-SLFFLAALSA-N 436.980 4.791 30 10 IJEE CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)NCc2cc(C#N)ccc2F)c1 1623560301 CXYWOVVUHOGQIU-UHFFFAOYSA-N 448.292 4.737 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)CC1 1625395462 ZNGOMYUTBGDUOB-YSDDDFLKSA-N 444.575 4.796 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 1625654068 SHLAURNJSOYCAS-LJQANCHMSA-N 449.979 4.724 30 10 IJEE CC1(C)CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC[S@@]1=O 1625883972 CLVCZHLSOXLLTE-LJAQVGFWSA-N 448.404 4.741 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cccc(Br)c1I 1627249814 RYSPLEMTMYNWEW-LLVKDONJSA-N 434.115 4.625 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1629652442 XIJDWOAPBFGEIN-KOSHJBKYSA-N 447.551 4.701 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(C)c2ccc(C(F)(F)F)cc2)c1 1632234532 ODCBBQDGFVGQCO-JOCHJYFZSA-N 449.494 4.654 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCC1(C)C 1634322020 UWYADEKUNJFIAK-NRFANRHFSA-N 448.535 4.973 30 10 IJEE C/C(=C\C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(F)cc1 1634423740 KKEFWLSPECYSOO-ZPHJMFTNSA-N 435.339 4.814 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC1CCN(C(C)C)CC1 1637355796 QFFSATJAIORNPU-UHFFFAOYSA-N 440.401 4.796 30 10 IJEE C=C[C@H]1CCCCN1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1642930688 TXDCAEUJXHMNJP-FQEVSTJZSA-N 431.458 4.937 30 10 IJEE C=CCn1c(SCCOc2ccccc2C#N)nnc1-c1ccc(Br)cc1 1643495444 ZZCLWXWCXOPTIN-UHFFFAOYSA-N 441.354 4.936 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1ccc(Br)cc1 1659589094 WMPXMKYFSGUPHW-GOSISDBHSA-N 443.341 4.829 30 10 IJEE CC(C)(C)[C@@]1(CN2CCN(c3ccc(F)cc3C#N)CC2)CCN(Cc2ccccc2)C1 1659858401 BUJBSDJULXPICS-HHHXNRCGSA-N 434.603 4.758 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCOc1ccc2c(c1)CCC2 1662573815 NYFRIJVQGRTSHJ-UHFFFAOYSA-N 431.330 4.703 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)OC 1662990302 BDIITMXKHKQFNJ-UHFFFAOYSA-N 448.450 4.847 30 10 IJEE COc1cc(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc(OC)c1 1668013952 FYGAHSNYFYOQRV-UHFFFAOYSA-N 445.519 4.713 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(OC)cc1I 1669655536 JDYZAWXFAIFIID-UHFFFAOYSA-N 428.314 4.900 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)N[C@@H](c3cccc(Cl)c3)C3CCCC3)CC2)cc1 1670748078 FBRXODWNLBBPCP-XMMPIXPASA-N 436.987 4.970 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(Br)cc1 1674026029 QNVGZCIOERMLFP-SJLPKXTDSA-N 437.341 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)NC3(c4cccc(C#N)c4)CC3)cc2C1 1674508151 ARAKJAIBQUWOHN-UHFFFAOYSA-N 432.524 4.662 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC3(Cc4ccc(F)cc4Cl)CCOCC3)cc21 1675098774 NNLAVJPPOZBPEL-UHFFFAOYSA-N 442.922 4.928 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCc3cc(F)ccc3Br)n2)c(Cl)c1 1675688556 HWLASOGLMLTPHE-UHFFFAOYSA-N 448.683 4.621 30 10 IJEE COc1ncc(NC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C#N 1680425758 CXZBWAJQEMFOGN-TWOQFEAHSA-N 436.512 4.549 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2)c1ccc(F)c(F)c1 1681557193 QWQBVNDAYUKLEG-UJAMICLKSA-N 435.515 4.669 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)c1ccc(Br)cc1F)C(C)C 1681567830 JWIYHFWHQCULFC-DNVCBOLYSA-N 426.374 4.647 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)C(C)C 1681568484 YQHWJLHWUIFLIB-OAQYLSRUSA-N 439.431 4.524 30 10 IJEE C=CC(C)(C)CNC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 1682423546 QXNKRVMNNYOMAA-GOSISDBHSA-N 441.435 4.947 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1689829473 YVGCIBKRUQGDRP-VWNVYAMZSA-N 442.579 4.856 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1689900898 UOIWKBWGZWSZJW-OAQYLSRUSA-N 441.000 4.965 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C(C)C)N1CCCC1 1690059260 MTDFIUIIBBXNDR-GOTSBHOMSA-N 437.632 4.615 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1690163569 JTRIDMBDKBIHRU-FQEVSTJZSA-N 438.622 4.895 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCCC=C 1690212278 GIVIRNBVQJFASM-OAQYLSRUSA-N 429.362 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCC(F)(F)F 1690250400 GZEKRDCUGUWGJK-NQIIRXRSSA-N 447.505 4.651 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(CCC)CCC1 1690558127 FNJAZHFLYFIMNA-UHFFFAOYSA-N 446.599 4.549 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N(C)C 1690558690 YAPQINLDLVBOPW-OAQYLSRUSA-N 432.572 4.536 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC(=O)Nc1c(C)cccc1C 1690609050 APAGIUPKXLSVOG-UHFFFAOYSA-N 449.599 4.950 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)COCC)C1 1690689755 KYTWGUGHSABCBL-QGZVFWFLSA-N 436.959 4.582 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[C@H](C)N2CCCCC2)C1 1690690152 SBAAWKAMFCZUIZ-XUZZJYLKSA-N 437.632 4.553 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCC(F)(F)C2)C1 1690712340 SZJIQHBWVBDYJE-AZUAARDMSA-N 446.542 4.636 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(NC(C)=O)c1 1705607053 OQEHUZVLPBIIJC-UHFFFAOYSA-N 447.608 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCS1 1705670208 LMIFDBRGIIIXGG-SCLBCKFNSA-N 437.432 4.657 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC=C(C)C1 1705695604 IYMBYRRXXZULKK-UYAOXDASSA-N 443.389 4.845 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ncc(CC)s1 1705744442 CYVGCETZJJXAGR-UHFFFAOYSA-N 444.992 4.555 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1705771080 GUVCNYAPUJKVLL-HSZRJFAPSA-N 435.641 4.974 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](CN(CC)CC)C1 1705795156 DKUIIECGSFUFFW-YPAWHYETSA-N 445.696 4.967 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705796053 XTJRXVNSFVQBAV-RBUKOAKNSA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1CC 1705857437 VMFDWQYEOGBCBW-RTWAWAEBSA-N 432.572 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCOC[C@@H]1C 1705865372 LABZPCVKWXGTHX-AZUAARDMSA-N 438.597 4.880 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1CC2(CCOCC2)C1 1705869998 LMKMWQOJVZPMLH-LJQANCHMSA-N 440.563 4.942 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccoc1 1705871163 ZWSIEKXOJUBLSK-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC[C@@H](c3ccnn3C)C2)cc1 1705909795 IEMGJXJFOVDPMP-PZJWPPBQSA-N 434.588 4.522 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1706747024 HMCWOHDLVGFXKV-ZJRDLVKKSA-N 427.568 4.730 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2nccs2)CC1 1722327973 VHEQZGSHEDZAIR-UHFFFAOYSA-N 429.952 4.992 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCCC(F)(F)C1 1722424508 PEEAOSGSJKZRLM-QGZVFWFLSA-N 436.934 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC=C(C)CC1 1722493206 XEKWQBNIFXCASQ-IPJJNNNSSA-N 426.536 4.695 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCC[C@H](C)C2)CC1 1722567182 NUFVPEQPUWUFAF-QFIPXVFZSA-N 437.632 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722593424 RFLNYBAUUXEKAC-KDURUIRLSA-N 431.625 4.887 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@](C)(CC)O1 1722634403 OMKXDGJCQPBNQW-DVECYGJZSA-N 428.577 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCC(C)CC1 1722634984 KYZQQHCEGDPXQR-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@](C)(O)c1cccs1 1722662955 PJOMZZMBKVHGOS-QFIPXVFZSA-N 439.610 4.507 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]2CCC[C@@H]21)C(C)C 1722665123 KNWPUXNQWJNWQJ-OEMFJLHTSA-N 434.632 4.808 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@H](C)[C@H]1C 1722734298 BFBFVGYHQQHGFD-IAGOWNOFSA-N 425.627 4.743 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccco1 1722735515 QPINLGMRSMQKIA-INIZCTEOSA-N 448.390 4.889 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=CCC1 1722743142 RQDUMQCFAMXPIY-UHFFFAOYSA-N 425.385 4.849 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1727960315 AXKNCTWQWGOSAR-VWLOTQADSA-N 446.599 4.955 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1740648757 PXICKGKCBJQEAD-XUTJKUGGSA-N 433.918 4.714 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)c1ncc(C)s1 1740658415 JGMJUESMNMIJOE-FQEVSTJZSA-N 447.608 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(O)(CC)CC 1740769537 NZGYWVCAGHGLBC-UHFFFAOYSA-N 435.410 4.970 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1740797939 WVZVNMRJCODHIG-IBGZPJMESA-N 434.531 4.548 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(CCOC)CCCC2)CC1 1740820687 MXWZLDZXERVBIN-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCSCC(F)(F)F)CC1 1740839153 BWPPONBABXPMSD-UHFFFAOYSA-N 428.499 4.706 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740844376 HWJKJSYDKFRXHO-QAPCUYQASA-N 438.494 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740851143 WKSMKBCAXNJZBJ-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCCC(C)(C)C1 1740884391 ZNALMQHOKGGCDQ-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740944915 QSTCRPZODVJZSA-GOSISDBHSA-N 431.968 4.620 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](COC)C1 1740997795 CLCCCYKXTPHYDE-AWEZNQCLSA-N 427.401 4.644 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1Cc1sccc1Br 1741798160 GELVBFCFJLCKGX-GFCCVEGCSA-N 434.338 4.695 30 10 IJEE C[C@H]1CCCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)C1 1743068016 ACMIOQKDHHIELQ-RBUKOAKNSA-N 441.023 4.849 30 10 IJEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)CCS1 1745056129 FDGBEGXYFXSDMU-FPOVZHCZSA-N 439.629 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1csc(C(C)C)n1 1748662372 VSHRJBCKNBXPHS-QGZVFWFLSA-N 432.597 4.717 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1748724598 WRADBJNJSMPGHM-QFIPXVFZSA-N 437.632 4.623 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1CCCCC1 1748867593 JZVFQJJQEKZHCV-NRFANRHFSA-N 434.584 4.860 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCc1coc(-c2ccc(C)cc2)n1 1748890649 SDMGSTWNNGDANB-UHFFFAOYSA-N 427.552 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NC1CCCCC1 1749147008 VQBBVZXGQKBQLV-UHFFFAOYSA-N 429.996 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCCNC(=O)OC(C)(C)C 1749148689 BUXPCBFEGOGDNY-UHFFFAOYSA-N 438.576 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC12CCOCC2 1749149982 LBAYRLXPVOXANF-QGZVFWFLSA-N 445.405 4.927 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2Cl)CC1 1749225809 JWFVCQXWAANQCD-UHFFFAOYSA-N 429.996 4.508 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1749277818 LWZOEKVXUYLTOZ-VQFNDLOPSA-N 437.769 4.607 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCC2(C)C)CC1 1749288366 TXNFQMOVJWSRFU-IBGZPJMESA-N 440.588 4.954 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)CC1 1749342256 XGNABGKWWDRWPU-HXUWFJFHSA-N 434.943 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Nc2ccccc2)C1 1749373718 RUCHZBDKRJXJGL-QHCPKHFHSA-N 447.631 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749373801 VCHIETUAXBSWCN-FHWLQOOXSA-N 441.645 4.887 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749413172 RTQQHUPYBPUBNK-SFTDATJTSA-N 441.595 4.836 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCN1CC 1749464912 HZAUCHDUZUXVCO-QUCCMNQESA-N 432.012 4.795 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC=CCO1 1749552923 KTXWBHGFVJJKQY-NRFANRHFSA-N 436.581 4.765 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1CC(F)(F)Br 1749561099 FLZHVSOFJNKWLS-UHFFFAOYSA-N 437.332 4.914 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccccn1 1749561146 HCMAGVUYHNDQSJ-UHFFFAOYSA-N 441.377 4.587 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCOC(C)(C)C 1749563385 FVORDAWQBNXSLQ-UHFFFAOYSA-N 425.396 4.763 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCCO1 1749563439 HLEHPNWUSBSJTD-NRFANRHFSA-N 431.378 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1cccc(Br)n1 1749576443 MYCBGKMCBJPUAK-UHFFFAOYSA-N 438.373 4.562 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CC)C1 1749745963 NHYCLVHYAQCFRR-HNNXBMFYSA-N 438.439 4.592 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760149968 UWFNBZOUXFIKNS-NRFANRHFSA-N 432.572 4.811 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](SC)C(C)(C)C 1760209338 ATGDDQDVMRILCI-NQIIRXRSSA-N 442.604 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)CC(C)(C)C1 1760326202 WADPISSHJLSATB-XQFWAAQXSA-N 426.580 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760399234 FFZVPAVNWLCLTQ-BVZFJXPGSA-N 442.604 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1760408134 CPSGJGUVQIEZLX-GOSISDBHSA-N 425.968 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(NC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C 1760415839 MHLDPHWWAZXRER-UHFFFAOYSA-N 444.668 4.779 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760433609 VALVHGHTKMPAHW-OALUTQOASA-N 438.551 4.641 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1cccc(C)n1)C1CC1 1760469756 NSQGOCZBLQATGI-UHFFFAOYSA-N 425.483 4.647 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1sccc1C 1760490855 LLFSEEMMQAEPFC-UHFFFAOYSA-N 432.391 4.827 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760563702 ZTCUECGFNXZEFY-NRFANRHFSA-N 437.613 4.664 30 10 IJEE CCCn1c2ccccc2c2nnc(NN=Cc3ccc(OC)c(Br)c3)nc21 1772765173 WOMXFTIMFXEABR-UHFFFAOYSA-N 439.317 4.607 30 10 IJEE C=CCN(CC=C)C(=O)C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1860617622 GVBGROVWDNIWBF-UHFFFAOYSA-N 448.407 4.777 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)C1CCN(Cc2cccc(F)c2)CC1 1861177954 HPNLTNGFHPPYNK-DEOSSOPVSA-N 447.639 4.799 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861360274 MMJRITQWPJORGN-ZDUSSCGKSA-N 433.376 4.606 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C(=O)O 1862381233 VIQCZWMUHRGIBX-QGZVFWFLSA-N 434.275 4.680 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 1862467585 AQENFRFEWKUTOJ-SFHVURJKSA-N 432.289 4.967 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862545072 RQTCMKXLUQJWEI-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862557755 PEESONFYKTUUJZ-QHCPKHFHSA-N 432.520 4.746 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(F)cccc1Cl 1862632096 XBSUAORWMYBQGT-IBGZPJMESA-N 431.847 4.586 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1OC 1862657989 LQNCHFGPRSMDBN-XMMPIXPASA-N 443.499 4.988 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCCn1ccnc1 1862659742 DPPZHPQRHNIZOC-DEOSSOPVSA-N 443.547 4.984 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2cccc(F)c2)cc1 1862662842 LWBFHFPIGHMLDH-HSZRJFAPSA-N 438.543 4.869 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F 1862672753 GHDIEYVZBNKIRH-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862681883 IDVYRAVFXIYSNR-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(OC)cc2)cc1 1862689562 TVLAVFNOEODTCE-VZPUWSDOSA-N 435.520 4.861 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862691525 ORHJHSJQGIMGPS-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2F)cc1 1862691724 UDNHUPMQEDVJSH-NRFANRHFSA-N 427.447 4.884 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CC)cc1 1862742037 FSURVEVKGWHWJW-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(F)c3F)=C(c3ccc(F)cc3)C2=O)c1 1862768807 HARSBFCYPQFDCM-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CCCOc1ccc(-c2csc(NC(=O)c3ccc(C#N)nc3)c2C(=O)OCC)cc1 1866038536 IJPOJRHVPZHIMD-UHFFFAOYSA-N 435.505 4.900 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N(CCO)CCCC)nn1-c1ccc(OC)cc1 1869990326 UIVFJMCCLAGFDP-UHFFFAOYSA-N 445.608 4.564 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CSc2ccc(Cl)cc2)cc1=O 1870302494 RXJBMXSXRFHDPJ-UHFFFAOYSA-N 425.937 4.863 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)cc1OC 1871366517 JEYQBXMIBPACPR-NRSKTENOSA-N 443.455 4.642 30 10 IJEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1O/C(=C\c1ccccn1)C2=O 1871372785 KOGGXVPXYKQSQM-GRSHGNNSSA-N 436.807 4.787 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1cccc(OC)c1OC)C2=O)C(=O)O 1871422995 LPLVFTWOWCMEAK-KYYPIKSYSA-N 426.465 4.651 30 10 IJEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O)C(=O)O 1871423177 NYYFMNBEPFDQAD-UTYYKHSJSA-N 426.465 4.651 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)Nc1ccccc1Cl 1871455185 DUPSILIPOACAPM-YVNNLAQVSA-N 449.846 4.702 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Br)cc1)C2=O 1871461163 YJAWQCPULWXJHT-UNOMPAQXSA-N 444.325 4.621 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1871890477 SQLIBCWMWKAMNV-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCC)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341459 HTQHROCJFUCHLS-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1 1873529764 YUPZHBYOCYPZCD-ZMOGYAJESA-N 430.339 4.832 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874232094 OVCCEILKXWWFIK-BUVRLJJBSA-N 447.520 4.825 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc(Br)c1 1874325411 ODUWVHXMHAYJCY-SRZZPIQSSA-N 431.359 4.841 30 10 IJEE CCOc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SC)cc1OCC 1874339012 FVRBQKVTCJDYIV-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE COc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)c1O 1874384478 QVQXQNGLEBQPLK-MFKUBSTISA-N 446.532 4.746 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OC)c(OC)c1 1874475955 AYFAGBYNHAYWDK-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccc(C)c1 1874480237 OJRJOIQHZUCBAH-PTFSYIGCSA-N 435.597 4.781 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)cc1 1874493352 HXPSBDZULBGLKQ-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc3ccccc23)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875154260 VZLDZOQYRYXNCT-GNNUASRNSA-N 432.472 4.838 30 10 IJEE BrC#CCSc1cc(I)ccc1Br 1887828304 SVYBYNCEGVJYKP-UHFFFAOYSA-N 431.918 4.502 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)c1sc(CNC(=O)OC(C)(C)C)nc1C 1922115799 KMFABLKLURWOMK-HXUWFJFHSA-N 431.602 4.900 30 10 IJEE CC(C)(c1ccc(C#N)s1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952577900 ZMTSDFRUVSSIEF-QFIPXVFZSA-N 446.528 4.889 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@H]2CNC(=O)OC(C)(C)C)c1 2006111431 GCJKLCTYYJNTHF-QMHKHESXSA-N 431.533 4.634 30 10 IJEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2020324648 OXTFDMQQFHXFER-FDDCHVKYSA-N 431.533 4.728 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)c(Br)c1)c1ccsc1 2035107466 YOKRTNVNSSNNOR-SNVBAGLBSA-N 432.080 4.605 30 10 IJEE C#CCN1C(=O)NC(=N)[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071354062 JFILQPXWZFOMJJ-DEOSSOPVSA-N 425.488 4.521 30 10 IJEE CCOc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)cc1 2080094256 IXOGQLWORIGXNC-SFHVURJKSA-N 435.309 4.881 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 2174813865 AYUHYHCGFLXAGV-AEFFLSMTSA-N 434.378 4.937 30 10 IJEE CN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br)c1ccccc1C#N 2181043496 BOSOZJWGEPEZKA-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE C[C@H](C1CC1)N(CCC#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2181045688 AMWNPVJRTNHQPC-CYBMUJFWSA-N 436.350 4.950 30 10 IJEE CC(C)(C)C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Br 2181046483 LDOQQHTWTLPLBF-CQSZACIVSA-N 438.366 4.836 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC[C@@](C)(C#N)C2)cc1NC(=O)OC(C)(C)C 2181048427 SNIXLGHXECMCHO-FQEVSTJZSA-N 436.350 4.870 30 10 IJEE CCN[C@@H](CC#C[Si](C)(C)C)[C@H](O)c1scc(Br)c1Br 2187473332 IHONCHGVOCDUQG-AAEUAGOBSA-N 439.289 4.556 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190479805 WJGLHZPPWKHZBA-ADXHGGABSA-N 447.428 4.802 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCCN(Cc2ccccc2)C(C)(C)C1 2193718951 FJAHNFUJADAYKZ-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2ccc(Cl)cc2Br)C3)OC1(C)C 2194123393 HLMYBSNJBUPSFB-BLVKFPJESA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C#Cc1ccccc1 2237432139 RXZMLRXVAHYPEJ-IBGZPJMESA-N 428.326 4.506 30 10 IJEE COc1cccc(C#C[C@@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1 2237736974 ZERJQCMIBFYZGQ-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C(F)(F)F 2245894914 YZYQJIAVGYHXAV-LIRRHRJNSA-N 433.471 4.610 30 10 IJEE CN[C@H](C#CC1CCCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2251407978 QRJKUUPZLHFPHR-HSZRJFAPSA-N 426.601 4.612 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1ccccc1NC(=O)OC(C)(C)C 2252123570 PRMAYAIYIJXJBA-JOCHJYFZSA-N 427.497 4.949 30 10 IJEE N#C[C@@H](C(=O)c1c(F)cccc1I)c1ccccc1Br 2282785512 VDSSJEFVYPIJPZ-SNVBAGLBSA-N 444.041 4.683 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](O)C#Cc2ccc(Br)cc2)CC1 2296272465 JQAKVCPCPQKWJR-LJQANCHMSA-N 436.390 4.835 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2296302686 MRAIQANMFQIOFO-OALUTQOASA-N 433.390 4.568 30 10 IJEE CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)SC(=Cc2cccs2)C1=O 2297461062 OXSSNIDKCTVGAT-UHFFFAOYSA-N 441.574 4.907 30 10 IJEE CCCN[C@H](C#Cc1cccs1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2300795862 CGXGKESRPQWUJD-PMOQBDJRSA-N 442.625 4.966 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 2305323904 YSLDHXNTZXGPPV-UHFFFAOYSA-N 428.573 4.699 30 10 IJEE Cc1cc(CSC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2320587012 LEBLBKXWMWRASK-GOSISDBHSA-N 447.450 4.784 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 2320969001 GGIAXUWWILERJT-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 2321977874 MJVIDVPCSJLIJG-UHFFFAOYSA-N 436.414 4.651 30 10 IJEE Fc1ccc(COc2ccc(C=Nn3c(S)nnc3COCc3ccccc3)cc2)cc1 2322016141 HAWFQKMHGHTCHH-UHFFFAOYSA-N 448.523 4.884 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(CCCCN1CCCC1)CO2 2322119018 BBCUSKHSMHPCRI-UHFFFAOYSA-N 436.527 4.778 30 10 IJEE C#CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 2322936791 URSQWOQRWKUIRH-VVZHRXSXSA-N 440.584 4.535 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1Br 2323972139 WCIJQQVDDUDYSD-UHFFFAOYSA-N 434.305 4.698 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)c1 2325019720 GJIAAZGBJUOIRZ-SFHVURJKSA-N 443.499 4.876 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 2325684094 JILGGMBNYXXJRU-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(O)c(OC)c1 2326315556 XTVBTTQPGSYLFD-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(OC)c(OC)cc1OC 2330120618 QIPHIRVOQMCMLF-INIZCTEOSA-N 438.553 4.616 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccnc2)c1 2331018186 HIEZMTNHUXDIDJ-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 2331155026 JDSOPNUQQDKDFO-UHFFFAOYSA-N 440.834 4.823 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)C)c1 2331673692 TWZDLSZYRRVTGE-UHFFFAOYSA-N 437.569 4.645 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2ccc(C)cc2)nnc1C1CC1 2331716857 COLXLMSBNVYGSD-UHFFFAOYSA-N 438.553 4.664 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339535722 FMJNALMYDBFSGK-RXGQBHOASA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339535861 JBZAEEVHDYQGPS-SFHVURJKSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339543659 UQOOCFOEYZPWNF-RTBURBONSA-N 443.397 4.832 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3ccc(Cl)cc3Br)C2)OC1(C)C 2342482275 LYVCXGUJEORZGR-SFHVURJKSA-N 428.563 4.801 30 10 IJEE CSc1cccc(N/C(=N\C(=O)c2cccc(C)c2)NCCc2c(C)nn(C)c2C)c1 32973675 CJJVWEWNWMFQGK-UHFFFAOYSA-N 435.597 4.508 30 10 IJEE Cc1cc(=O)oc2cc(OCC(=O)Nc3sc4c(c3C#N)CCCCC4)c(Cl)cc12 36740830 CBQKMULTPICXPZ-UHFFFAOYSA-N 442.924 4.974 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1OC 41289558 MZLWKKJPIWGKHJ-JJFYIABZSA-N 434.419 4.987 30 10 IJEE O=C1/C(=C/c2ccccc2)S/C(=N/N=C\c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 47138948 FXBNCJYIJPLALR-PLKVVUSUSA-N 432.461 4.694 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2nc(SCc3ccccc3Cl)n[nH]2)c(O)c1 59039074 MKLKFTZWTZKTTI-WSDLNYQXSA-N 430.965 4.748 30 10 IJEE O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cc(Cl)cc(Br)c1O 59105757 OASCLYSITLZJSG-MLPAPPSSSA-N 427.682 4.839 30 10 IJEE C=CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1cccc([N+](=O)[O-])c1 59789527 MJFHTNFOOPUQLI-UHFFFAOYSA-N 438.444 4.521 30 10 IJEE CN(C)c1cccc(Oc2ncnc(Nc3ccccc3SCCC#N)c2[N+](=O)[O-])c1 95944779 GVFZLTXDQDJBNG-UHFFFAOYSA-N 436.497 4.992 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)C(O)=NC1=S 96477448 VJIOPBGXFRELRM-UYRXBGFRSA-N 436.533 4.626 30 10 IJEE C=CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C\c2ccccc2)cc1 97636992 YCTZWTNAIZXSAT-SSZFMOIBSA-N 428.507 4.917 30 10 IJEE CC(C)c1cc(Br)ccc1OCC(=O)N(CCC#N)CCc1ccccc1 100438203 UIRGFKWWFFLITL-UHFFFAOYSA-N 429.358 4.936 30 10 IJEE C/C(Cl)=N/OC(NC(=O)Nc1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F 103899582 SPSYPLNVLRCOSI-UMDHDWCXSA-N 434.749 4.828 30 10 IJEE O=C1/C(=C\Nc2ccccc2F)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 105337677 JYBYFSLXAISCTD-WOJGMQOQSA-N 432.473 4.513 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2Cc2ccccc2)ccc1OCc1ccccc1F 169911752 BBAVYRHPZQCLJE-YSMPRRRNSA-N 448.523 4.767 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1O 169942684 XJQUPNNKAKWHGL-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(O)cc2)ccc1F 169964136 IMCAKVCGDZBWRU-NRFANRHFSA-N 439.389 4.901 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccccn2)s1 169996659 QVRSHALSBSXIJH-GOSISDBHSA-N 439.924 4.900 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170027731 KBDJZFWXDQIJQP-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccccc1 170048629 LSIYPLWEZZFHQD-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170104285 MOKCAUJEWIHIDF-QHCPKHFHSA-N 432.520 4.654 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)ccc1Cl 170135483 FJNBZKYFNUMCOQ-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(O)cc1 170137560 CPXZHLODKIBDKT-NRFANRHFSA-N 435.476 4.916 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)c1 170146103 IPARMHJJKMNZNS-FQEVSTJZSA-N 447.362 4.832 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccn2)cc1 170171061 UKBKLPMBOQIRLN-UPCLLVRISA-N 440.499 4.750 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170184079 ZFOVKDXGAYMINW-HSZRJFAPSA-N 428.463 4.882 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 170231222 VHPODXCTMACEHJ-QHCPKHFHSA-N 428.488 4.649 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265738 CGHJYRIEEPZLCL-VWNXMTODSA-N 449.547 4.794 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)c1 170289658 VVNKLMMPUCQXIJ-QFIPXVFZSA-N 428.444 4.721 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1)c1c[nH]c2ccccc12 170296613 NMFYXWADGVZPST-QFIPXVFZSA-N 430.435 4.721 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC)c(O)c1 170322527 NSJZNUYNJDHYOC-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1 170433207 JJIUBFDOJYKFKF-OAQYLSRUSA-N 439.508 4.618 30 10 IJEE COc1ccc(C(C)=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 254632572 LSFPOUHQPHJMNY-UHFFFAOYSA-N 429.564 4.835 30 10 IJEE N#CCC[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1 440237786 GTZUTKQHWZYIRJ-CTNGQTDRSA-N 433.487 4.810 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN3c3ncnc4ccccc34)cc2)c1 442486394 YYSOGKUMINWWKQ-VWLOTQADSA-N 449.514 4.688 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 476653888 DOTVZWARLOESGD-QZTJIDSGSA-N 444.560 4.816 30 10 IJEE Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)N2CCC(C)(C#N)CC2)cc1 508050614 MXQJNZODDDYJPT-UHFFFAOYSA-N 448.567 4.628 30 10 IJEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526662643 JPMVMGPBMIQFGX-UHFFFAOYSA-N 436.496 4.728 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1OC 540066347 SBOCWSHPQXHWGI-WIYYLYMNSA-N 432.358 4.890 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cn1 549008716 GKUVEMMCJMBVRG-UHFFFAOYSA-N 448.910 4.804 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 559028469 ZSOJYZLIAFSAAL-GOSISDBHSA-N 438.557 4.887 30 10 IJEE CC(C)(C)OCC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1=O 571948023 VSALRLCRACAKIJ-GOSISDBHSA-N 427.888 4.634 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1O 574266697 DLWUUEGMBLEHLQ-UHFFFAOYSA-N 445.866 4.851 30 10 IJEE O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612530555 FRTIVCROFWIEFO-OCAPTIKFSA-N 438.246 4.817 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670211978 ALEUZJRJKYZUEV-IBGZPJMESA-N 440.979 4.838 30 10 IJEE C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 685540894 SVIIRDMDAGLDFF-GOSISDBHSA-N 436.478 4.611 30 10 IJEE C=CCN(C(=O)/C=C/c1ccc(C)cc1Br)c1nc(C(=O)OCC)cs1 749128372 MIHHMRLVOAACDH-CMDGGOBGSA-N 435.343 4.623 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1=S 764963497 NOAAHROPSDZZSJ-GCJKJVERSA-N 436.581 4.695 30 10 IJEE C[C@H](OC(=O)c1coc(-c2ccccc2Cl)n1)C(=O)Nc1sc2c(c1C#N)CCC2 776442384 GSYZEWJMAHYWIV-NSHDSACASA-N 441.896 4.601 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 783076845 JQSRCMXVKFVCAM-AUUYWEPGSA-N 432.442 4.945 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nn(CN2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c1=S 802746547 CXPGHENLHBCCCZ-SFTDATJTSA-N 434.613 4.677 30 10 IJEE C#CCN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@@H]1CCOc2ccc(Br)cc21 1126228433 IHHGFPRNJMOSDG-JOCHJYFZSA-N 449.348 4.768 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1130562884 CHZNMOJUNOWJHL-MRXNPFEDSA-N 430.379 4.824 30 10 IJEE C#C[C@@H](NC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1140478410 PZMNOWMGEQAAKX-LJQANCHMSA-N 428.891 4.881 30 10 IJEE CC1(C(=O)Nc2cccc(O)c2Br)CCN(c2ccc(Cl)cc2C#N)CC1 1141221880 AXKFFZBCKHPFGI-UHFFFAOYSA-N 448.748 4.925 30 10 IJEE C#CC1CCN(C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CC1 1163014815 YNSZKKBSXZYZJY-OAHLLOKOSA-N 437.590 4.557 30 10 IJEE C=CCn1c(SC[C@H]2CCNC(=O)CC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1165446902 ZHLGSMJAFSBZMT-MRXNPFEDSA-N 439.606 4.628 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1cc(C)cc(C)c1)CCCC3)C(=O)OC 1188145067 OZWDFXWOPLLPQD-QGZVFWFLSA-N 440.590 4.763 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CC)Cc2cc(Br)ccc2F)cc1 1209065601 UGBBHGUZOYUGQR-UHFFFAOYSA-N 426.351 4.918 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(-c3cccc(OC)c3)[nH]2)cc1 1210854664 AQXCGKXLUXDYNN-HSZRJFAPSA-N 437.565 4.730 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCC3(c4ccc(Cl)cc4)CCC3)CC2)c(Cl)c1 1221712882 CCKFJZWCQNLVQN-UHFFFAOYSA-N 443.378 4.819 30 10 IJEE C#CCN(C(=O)NCCOC1CCCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1227851737 BFRXDTUTVNTENB-HXUWFJFHSA-N 449.389 4.657 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1251631806 UXWIBEGPSFPSHD-YYWHXJBOSA-N 431.552 4.701 30 10 IJEE C=CCCn1cc(C(=O)Nc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)nn1 1264778556 GYDOQUXZQMEYAV-UHFFFAOYSA-N 444.417 4.769 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@H](C)C[C@@H](C)C1 1286276008 QHNWEHZVCKOWEJ-SJBKTWHCSA-N 444.627 4.628 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCSCC(F)(F)F 1286305414 MVWXRMHVNPLFPD-ZDUSSCGKSA-N 448.967 4.977 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286327337 IZTJBNIYYJWXOF-RXVVDRJESA-N 435.374 4.832 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1286344429 PSFNQZBPSWFGMI-JOCHJYFZSA-N 438.959 4.863 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCSC(C)C 1286433452 DWCAZIOUFVUMEZ-UHFFFAOYSA-N 438.641 4.759 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1nc(C)cs1 1286437905 NRWYPVIFVVKFGK-AWEZNQCLSA-N 444.402 4.736 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCCC1 1286453296 PLCPOWHESITBQQ-UHFFFAOYSA-N 432.037 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CC1(OC)CCC(C)CC1 1286583801 SCUPCPCHXCAJKI-UHFFFAOYSA-N 430.568 4.994 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN(C)C(C)C)CC1 1286655384 QFFSDLXLNSMBFX-UHFFFAOYSA-N 433.547 4.679 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cc(C)oc1C 1286743583 LVOLTPNYEHPJJC-SANMLTNESA-N 443.551 4.650 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)CC[C@H]1C 1286798328 GSGUMANIIFMNDT-QZTJIDSGSA-N 437.613 4.872 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1300370933 IMLPACGXUWQKFW-QHCPKHFHSA-N 434.609 4.572 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCO[C@@H]2C(C)C)c1 1300373671 BWFUBUBCFFNQAQ-QFZWGZQFSA-N 437.588 4.535 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)c1ncc(C)s1 1300591442 QCZGUYVHGPCCNN-FQEVSTJZSA-N 447.608 4.505 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](C)Cc2cccs2)CC1 1300683073 LEGNPEGSOJWKEC-QPPBQGQZSA-N 447.652 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCC1 1300873425 GDLJKABLWLCQCY-REWPJTCUSA-N 440.588 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nccn1C(F)F 1300899773 IJRJQPIAZLRDPA-HNNXBMFYSA-N 434.466 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)c1ccccc1 1300925249 SCRDWIOUFZHUDE-FGZHOGPDSA-N 425.621 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2C#N)CC1 1301155690 RRQVMONTCMPNNB-UHFFFAOYSA-N 446.624 4.731 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncccc2F)CC1 1301178466 MGWXNZFEMAAJOQ-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1301340553 IDANMFQIENFQJM-SZPZYZBQSA-N 434.632 4.834 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@H](OC)C(C)C)C1 1301541919 GKUZWUIARURIMI-RLLQIKCJSA-N 444.645 4.584 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1301615231 IBNMHULBRYJLBZ-XXBNENTESA-N 449.624 4.779 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnc(C)s1 1301615276 JMRUMPNMYULRST-UHFFFAOYSA-N 438.626 4.671 30 10 IJEE C=CC[C@]1(C(=O)NCCc2c[nH]c3c(Cl)cccc23)CCCN1C(=O)OC(C)(C)C 1301946973 JEWJODQEAOXZPT-HSZRJFAPSA-N 431.964 4.826 30 10 IJEE CSCc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)cc1 1302683712 DEIYCLJXEBHSBO-UHFFFAOYSA-N 432.597 4.690 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCc2ccccc2)CCC(C)(C)C)c1 1303043493 YRDFNEJFVLLQSF-UHFFFAOYSA-N 425.594 4.605 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1ccnc1[C@@H](O)C1CCCCC1 1307369481 GOHTWJNEAPPCSD-YWZLYKJASA-N 426.586 4.899 30 10 IJEE CCCC1CCC(N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1307741196 FMDGSKSNFLQLDG-CBNMVNINSA-N 440.632 4.647 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1312118946 KZXVIQIZHCZSDG-QFIPXVFZSA-N 447.000 4.879 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 1312602990 OXEKAOOQHLADIP-FQEVSTJZSA-N 444.373 4.747 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)C1 1323758976 AQYUZEDXQWECGS-FXAWDEMLSA-N 433.321 4.664 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccccc1OC)c1ccc2c(c1)OCO2 1347910782 XTXPQRSEQVPJCH-UHFFFAOYSA-N 431.488 4.765 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2SCCc3ccccc32)c(C(=O)OCC)c1C 1349733255 CZBITKBIHJZVQD-GOSISDBHSA-N 445.562 4.545 30 10 IJEE CC[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc2c(c1)OCCO2 1351169680 BQPZDKIPYHAGDZ-QFIPXVFZSA-N 428.488 4.790 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OCCC)c(OCCC)c2)CCCN1C(=O)OC(C)(C)C 1355120994 ZKJOSLBIPFQOEK-VWLOTQADSA-N 444.572 4.996 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(C(C)(C)C)cc3)C(F)(F)F)cc2C1=O 1355714671 LEPJKDMCTWJPBB-IBGZPJMESA-N 444.453 4.800 30 10 IJEE C=CCc1cc(C(=O)N(Cc2cnn(Cc3ccccc3)c2)C(C)C)cc(OC)c1OC 1357680792 RIMLVWVMKFFSEZ-UHFFFAOYSA-N 433.552 4.728 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](C)N1CCCCC1 1358878449 WVCBMMCPBLGAJT-UXHICEINSA-N 439.673 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCN1CCCC 1358880730 RPKVYURWNAMTBQ-QUCCMNQESA-N 444.023 4.720 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCSC1 1358881377 FHAWBMMQNSWOIX-WOJBJXKFSA-N 426.630 4.971 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[C@@H]21 1359061220 VORJFGRDKPTNOW-PBHICJAKSA-N 437.396 4.519 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(C)CCCO2)CC1 1359159510 XXLSYTNSKHKNRG-YADARESESA-N 426.561 4.542 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2c(CC)noc2C)CC1 1359162108 DLQVGHOWQVQRQV-UHFFFAOYSA-N 427.936 4.671 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1359168749 HSARPGPADQZDTP-VXKWHMMOSA-N 437.632 4.696 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1359178945 HIZSAPIVPUEZSC-PMACEKPBSA-N 445.652 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359185068 KJLKLLKRJBVFIQ-UHFFFAOYSA-N 444.023 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359185804 KBZCSXZZRQTJHB-MRXNPFEDSA-N 439.501 4.759 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCC[C@H](C)C1)c1ccccc1 1359195364 LHNDQMJVPWEHQO-WWNPGLIZSA-N 435.616 4.775 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1359199128 LPEVIGUETSDZNA-SJORKVTESA-N 446.617 4.657 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1359231245 RDMRTAATGJNZDH-QRVBRYPASA-N 428.577 4.643 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@H](C)C1 1359255204 RORYTZDKOMEBTA-IFMALSPDSA-N 431.584 4.901 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(OC)C1CC1 1359267375 DZMDHLMWXVEKBS-OAQYLSRUSA-N 431.378 4.701 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CCN1CC=CCC1 1359276908 VTKLLJQYABXYAN-UHFFFAOYSA-N 437.975 4.689 30 10 IJEE CC(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](C)CN1CCCCC1 1359785924 FHJDAPFAPDZOML-NRFANRHFSA-N 434.632 4.639 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)c(OC)c1 1436218263 GCWBZFVEZNUSQI-UHFFFAOYSA-N 428.941 4.896 30 10 IJEE C=CCCC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CCCC1 1437629792 ZTOVOHISIQRCMB-IBGZPJMESA-N 433.390 4.697 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)c1ccc(Cl)cc1F 1460801016 JEEHMELVDCYZBY-GOSISDBHSA-N 435.808 4.847 30 10 IJEE C#CC[C@]1(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1461033695 RPQVQJBHWXOKOV-LJFZDNNRSA-N 430.976 4.885 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cncc(Br)c1)c1ccc(C(F)(F)F)cc1 1463376661 HRNDIQTURBCMML-INIZCTEOSA-N 449.292 4.849 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(OCC(F)F)c1 1466817231 WZFZGQJZCFGZQW-UHFFFAOYSA-N 441.272 4.980 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1OC 1468362198 TYNIIMJKROQMHZ-UXHICEINSA-N 448.567 4.834 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1c(Cl)cccc1C(=O)OC 1472934835 NQQCTBVKHUVJGL-UHFFFAOYSA-N 447.919 4.915 30 10 IJEE Cc1cc(F)c(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1F 1474932056 BNIDSNJJDVWKPK-UHFFFAOYSA-N 430.451 4.988 30 10 IJEE CCOC(=O)c1c(NC(=O)NCc2cccc(-c3ccc(C)cc3)c2)c(C#N)cn1CC 1476760222 ALWVOFBDJWUTJK-UHFFFAOYSA-N 430.508 4.854 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC([C@H](O)c4ccc(OCC)cc4)CC3)cc2n1 1477122043 LGPHYYAQYZUNRA-XMMPIXPASA-N 434.540 4.599 30 10 IJEE CCCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1500825529 ADEUPCIUBIDDMV-HATOLVCRSA-N 437.588 4.559 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1507570401 NZWWNVCDUKRRLE-GOTSBHOMSA-N 433.600 4.724 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1nccs1 1507595353 OGAWFIVPSRDDGA-UHFFFAOYSA-N 437.613 4.703 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1Cc1cscc1C(F)(F)F 1507656325 GEPRQLNJXNTLQF-UHFFFAOYSA-N 442.510 4.655 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(C)CCOCC1 1507676220 LFHCVNUNFIXCMS-UHFFFAOYSA-N 443.016 4.503 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C)(C#N)CC1 1507749594 SQQXNSPHXZXNIL-UHFFFAOYSA-N 434.396 4.748 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1507797520 LVCPOSAPLVXSTH-NOXFTYBFSA-N 428.577 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCSC 1507798050 FYDFGIUKOACESH-GCJKJVERSA-N 439.629 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507815398 BAEOWRNCVPDUIZ-BBTUJRGHSA-N 444.542 4.701 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(Cc1ccco1)Cc1ccco1 1507829120 RRPQAZADCIJRJP-UHFFFAOYSA-N 434.496 4.931 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1507841342 VKMIBXNIBGZLBO-IRXDYDNUSA-N 449.368 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1507918675 GWCNXVSRDFGDKP-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@@H]1SCCc2ccccc21 1508041493 FFEQYMWTHWYTMG-QFIPXVFZSA-N 426.630 4.680 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccc(C(F)(F)F)cc1 1520114538 VPQSOCCVBFAPEN-DYESRHJHSA-N 446.469 4.891 30 10 IJEE C=CCN(C(=O)/C=C/c1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1522165348 HDNWNAMAQPKLTR-IBUXMESJSA-N 431.454 4.908 30 10 IJEE CCOC(=O)C(F)(F)[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CC1 1522904196 AMXKAADIKQVLLF-IBGZPJMESA-N 448.853 4.711 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 1523228149 ATMOAOHENIMKSQ-UTKZUKDTSA-N 427.907 4.872 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 1524514645 LKEISWDMKFZKJP-FOIQADDNSA-N 433.335 4.957 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 1528000900 KPCNDPJDIWGEIV-INIZCTEOSA-N 443.341 4.568 30 10 IJEE C#C[C@H](NC(=O)c1cc(I)c(Cl)cc1Cl)c1ccccc1 1529738419 WILKZOUFOJWPPW-HNNXBMFYSA-N 430.072 4.702 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CCC)C(C)C)c1 1530501562 YJRVRHJNDIQOFH-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(c4ccc(Cl)cc4Cl)CCC3)cc2C1=O 1533915108 RUWPQGPHPJDENF-UHFFFAOYSA-N 443.330 4.627 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 1536962195 GYJRJZCWQJQSCD-HOTGVXAUSA-N 434.311 4.757 30 10 IJEE C#CCSc1ccc(COC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 1537411267 QQMXMUBASIRYNT-UHFFFAOYSA-N 439.558 4.839 30 10 IJEE C#CCN(C(=O)[C@H](C)OCc1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1538199512 UKTZBCRYFKKWDI-UWJYYQICSA-N 442.353 4.648 30 10 IJEE C=C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1538937663 DLZQLQIWIXHETP-HXUWFJFHSA-N 433.957 4.989 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCCCSC 1538983771 XBJIOINPKKZTPV-CQSZACIVSA-N 439.398 4.838 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(OC)CCC(C)CC1 1539003058 KROPFPUJSPGUJS-CSKUQDPHSA-N 433.556 4.653 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Br)c(C)cc2C)CCCN1C(=O)OC(C)(C)C 1539061982 WFIDAZHQAKBMAY-OAQYLSRUSA-N 435.362 4.797 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1539077900 MHQVARWZWYKUSJ-OAQYLSRUSA-N 443.636 4.555 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1ccccc1 1539187125 UCZCFEKQDUXLOJ-MHZLTWQESA-N 444.354 4.797 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(Cl)s1 1539402903 LENVGTBWRSEABJ-UHFFFAOYSA-N 439.343 4.587 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)c1c(C)noc1C 1539658776 AMRUDPCGBFXQCI-MRXNPFEDSA-N 439.560 4.773 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1539859485 RAGISORJSFXWRN-XXBNENTESA-N 440.613 4.717 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1539919504 XCZHRMONVLAXTP-ATIYNZHBSA-N 442.600 4.583 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1540029483 RYMGVLKQXGHJKD-UUOWRZLLSA-N 439.629 4.854 30 10 IJEE C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)N1CCCCCC1)C1CC1 1540094122 BZBDUDSXMJTRKU-QHCPKHFHSA-N 435.616 4.768 30 10 IJEE C=CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(Cl)s1)C1CC1 1540114695 OIBVCFAZSBXPBH-UHFFFAOYSA-N 428.989 4.990 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 1540119868 LQQKBEKAVPYQJQ-DZFGPLHGSA-N 430.342 4.667 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 1540119870 LQQKBEKAVPYQJQ-JRGCBEDISA-N 430.342 4.667 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H]1C 1540133240 HASUIQVAPJWHSW-FPOVZHCZSA-N 449.624 4.898 30 10 IJEE Cc1ccsc1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](F)(C#N)C1 1542068079 GAXQQHXRQFKVQW-FQEVSTJZSA-N 433.915 4.792 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)CCN3CCN(c4ccccc4)CC3)c2)cc1 1543169231 FWOFNRPNIQYRCH-UHFFFAOYSA-N 426.520 4.501 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)C1 1543532990 FRFGMYOEQJJOSJ-HSALFYBXSA-N 440.611 4.503 30 10 IJEE C=CC[C@@]1(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1544158528 NAEKGARAFUHCHB-FQEVSTJZSA-N 428.907 4.894 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)/C=C/c1ccc(O)c(OCC)c1 1546226094 DZXJQWVGCRQQJA-UXBLZVDNSA-N 434.305 4.921 30 10 IJEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCCC1)CCC(F)(F)F 1547582478 BZQFSVUBDJDXFW-UHFFFAOYSA-N 448.537 4.717 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Br)cc(OC)c1 1561066412 WVGISURVMNAGPM-UHFFFAOYSA-N 436.780 4.550 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1562640335 KBZNDALKBOOZEY-NRFANRHFSA-N 442.441 4.926 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)Nc1ccc(CO)c(CO)c1 1562989542 FUZVNIGGBCUWBY-UHFFFAOYSA-N 440.315 4.605 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1sccc1Br 1587663263 VZESOCQKLUQGSU-MRXNPFEDSA-N 443.414 4.784 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCO1 1589242870 NITIDTRDNYLJRM-HFZDXXHNSA-N 436.600 4.850 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1589316969 JETJRMSFZDXKMG-GOSISDBHSA-N 426.362 4.884 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)c1ccccc1 1589427282 GJQABIZUPRXQNO-AWEZNQCLSA-N 446.418 4.782 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(OC)c(C)c1 1589559325 QBLBSPGBBVUXHF-WIOPSUGQSA-N 438.616 4.945 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1593650220 PNMXTVUHJGMJBH-NRFANRHFSA-N 425.596 4.677 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)c(COC)c2)CC1 1594208539 KBDGBNWJQWDBPJ-UHFFFAOYSA-N 441.938 4.730 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1594438617 WLQHJDXPUPPGIB-CYFREDJKSA-N 426.630 4.832 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1594454137 CFLSVVRCMZSOTF-OALUTQOASA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1594491788 KWHINUHUYJKZHI-DHIUTWEWSA-N 437.632 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1594511381 PVUBGLBZDQVVIS-LJQANCHMSA-N 447.505 4.720 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1594660547 LGYVFZKWBIDJIQ-BHDDXSALSA-N 440.636 4.899 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1594812741 JKEFNTQJOZHHTK-UYAOXDASSA-N 445.633 4.515 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1C 1595085021 OHAVPHRZXMBCSX-NZQKXSOJSA-N 431.584 4.901 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCS1 1596789113 FVQVUAODSXVLPI-GPMSIDNRSA-N 434.009 4.953 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCS1 1596789115 FVQVUAODSXVLPI-MDZRGWNJSA-N 434.009 4.953 30 10 IJEE Cn1nc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)cc1OC(F)F 1597760012 FDOALHOZUXOQGU-UHFFFAOYSA-N 434.855 4.950 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 1609997944 SNRRYJGJFXVXPU-UHFFFAOYSA-N 433.508 4.953 30 10 IJEE C=C1CCC(C(=O)N2CCOC[C@H]2C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1617381184 BNMKIKTUDBLARD-LEWJYISDSA-N 440.584 4.889 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)s1 1623473904 CVXZXGXOJXJFEO-LLVKDONJSA-N 433.002 4.869 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 1626774085 YPIJLEIWTOMPRL-CYBMUJFWSA-N 436.377 4.552 30 10 IJEE O=C(c1ccc2nc(O)n(CC(F)(F)F)c2c1)N(Cc1ccc(F)cc1)CC(F)(F)F 1633931458 BACZQFVMMWYAJR-UHFFFAOYSA-N 449.326 4.648 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccc(OCc2ccccc2Br)c1)C(=O)OC 1634885488 WDBQCRDKXUECOQ-HXUWFJFHSA-N 446.341 4.656 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2c(C)nn(CCCC)c2C)[nH]n1 1636336156 GYMJVNIQVFBLHP-UHFFFAOYSA-N 437.592 4.686 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1636631493 MYLRCQNOZHIIIG-WOJBJXKFSA-N 443.588 4.627 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1640137359 QCKVOXAWYDLUKN-HSZRJFAPSA-N 446.572 4.873 30 10 IJEE C=C(C)CONC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1640655992 DXDKNWZYLUIKKA-VWLOTQADSA-N 442.515 4.890 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSCc2ccccc2OC)cc1 1640933435 AYNUHWRXQFJWPN-UHFFFAOYSA-N 435.549 4.855 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccccc1C 1640967707 YMZUQBZQQYOWFE-IBGZPJMESA-N 427.957 4.969 30 10 IJEE C=CC1(CC(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1643785830 FBMGRLPRRYALKW-UHFFFAOYSA-N 432.992 4.934 30 10 IJEE C=CCn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1-c1cccc(C)c1 1654929803 LSKHDSHGHFEHPU-UHFFFAOYSA-N 432.303 4.656 30 10 IJEE C=CCN(CC=C)[C@H](CNCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C(C)C 1656029671 PWOVBOWJYPJEHW-XMMPIXPASA-N 427.633 4.768 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCC1(C)C 1657619309 VUVRIHGXOYGROP-NRFANRHFSA-N 433.618 4.850 30 10 IJEE C=CCOc1ccc(CNCc2cc(Cl)ccc2I)cc1OC 1657669381 VIGMOUVMRLOPPX-UHFFFAOYSA-N 443.712 4.808 30 10 IJEE C=CCN(C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@H](Cc1ccccc1)C(=O)OCC 1658259739 NKQYZNYTCAYJSQ-DHIUTWEWSA-N 444.616 4.686 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(CC)o2)cc1 1658321213 SEURAQQXNHJTLR-LAUBAEHRSA-N 445.585 4.654 30 10 IJEE CC(C)[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)Cc1ccc(Cl)cc1Cl 1662119480 CEJHLWZVUBAOFU-KRWDZBQOSA-N 425.381 4.853 30 10 IJEE C=CCOc1ccccc1CNS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1 1667308525 VPBYBVQQKUMGSA-UHFFFAOYSA-N 425.506 4.531 30 10 IJEE C=CCN(C(=O)Nc1ccccc1CN(C)C(=O)c1cc2ccccc2o1)[C@@H](C)COC 1669105875 STDWPKMLBNGZOT-SFHVURJKSA-N 435.524 4.760 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)ccc1OC(F)(F)F 1670745370 FAPWEZXPODAUQN-OAHLLOKOSA-N 438.837 4.901 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 1675444950 FTNCZBSXWHHFHG-SMIHKQSGSA-N 436.987 4.958 30 10 IJEE C=CC[C@H]1N(C(=O)NC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)CCCC1(C)C 1678027286 WNMUCTIBJIQRBX-DHIUTWEWSA-N 425.617 4.948 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](C)Cc1ccc(OCC)cc1)c1ccc(Br)cc1 1683158423 JNBSIANJBSFVCY-HRAATJIYSA-N 429.358 4.700 30 10 IJEE C#CCN(C(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1)C1CCCCC1 1685367228 BEXJVIXWZHXJCS-PGCGBBBBSA-N 439.600 4.589 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCCN1CCCC 1690067722 IFLCUXWBNUUMNC-QFIPXVFZSA-N 430.600 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(F)cn1 1690214403 IYHNHGKHVRXJEK-JOCHJYFZSA-N 441.963 4.798 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCCCOC)CC1 1690404565 JIPKUNUENBCFGC-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCSC2)CC1 1690404879 WMLISQRVZIAPLR-CQSZACIVSA-N 439.448 4.925 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21)c1ccccc1 1690441723 FQZJVKMZZSNYDX-MALNDZBISA-N 435.616 4.791 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1690475169 HTKMZMACDHCZGL-UHFFFAOYSA-N 443.592 4.896 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1690475234 KDDCRMIBONMRSS-LJQANCHMSA-N 435.572 4.790 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(Cc2ccsc2)CC1 1690492414 VEVBXTSOPLFOKT-UHFFFAOYSA-N 437.613 4.515 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC(C)CC1 1690575781 AJULXLIVOKOCIP-HXUWFJFHSA-N 436.629 4.715 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1690734124 WFPBHABCXZHXLZ-MJGOQNOKSA-N 428.602 4.824 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccco1 1690750338 HALPAKQEQPNBDS-GOSISDBHSA-N 428.533 4.850 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nc(C)c(C)s1 1694244822 BQQKSTJAKMPIAQ-XXBNENTESA-N 438.576 4.578 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1(C)C 1696192334 GRBQETWOFVRJFZ-OALUTQOASA-N 429.515 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(Cl)s1 1705483642 ZECPDARKDDIXJU-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@@H](OCC)C1CCCC1 1705610183 FYTCFQOMNFITPY-XMMPIXPASA-N 433.600 4.882 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCCC[C@@H]1C 1705671170 YOMVOHLOGBTFQB-YADARESESA-N 441.023 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1Cc1cc(C(C)(C)C)no1 1705678251 SZBCPVOSQUOHAR-AREMUKBSSA-N 447.583 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(F)c1 1705705871 MDXMOEFOCCBGCA-KNQAVFIVSA-N 426.561 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC[C@](C)(CC)O1 1705712362 QZPNSEWNPBVJNN-DVECYGJZSA-N 428.577 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1705777696 KSAZVWLUVJGIDS-QHCPKHFHSA-N 426.948 4.810 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCCCOc2ccc(F)cc2)CC1 1705781957 LDWCCEBYZDUXHU-FQEVSTJZSA-N 428.552 4.573 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)NCCC)CC1 1705801349 BWDBWLKBVPPHNZ-UHFFFAOYSA-N 429.996 4.697 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1705807041 RSSOFENYNSXWSH-UHFFFAOYSA-N 427.637 4.911 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1C1CCC1 1705812948 QEWPOXIIZSSAFH-IBGZPJMESA-N 426.561 4.706 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705815013 IJSFJCAGRPQEPG-GGAORHGYSA-N 432.616 4.874 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)S[C@@H](C)C1 1705817231 FPIIURWWFMEROR-GBESFXJTSA-N 449.665 4.689 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2CC(F)(F)C2)C1 1705914892 GCPSQAGFKBERCO-QUCCMNQESA-N 446.542 4.862 30 10 IJEE CC(C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1706466942 DBMVJQAHEZPQJB-UHFFFAOYSA-N 445.615 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1722281010 YXFWWGJLPBFTEC-YEWWUXTCSA-N 442.336 4.751 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C(C)C 1722402325 LJHIAZWSGASGFM-AZUAARDMSA-N 432.996 4.819 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(F)F)C1 1722483636 CRTRHWVPMLJAOG-HNNXBMFYSA-N 448.315 4.883 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 1722508664 KBUGGYRMKDDNQF-DYESRHJHSA-N 444.004 4.596 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722524430 NPXRLQQJBLKEOM-IBGZPJMESA-N 426.561 4.831 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722545785 OMFIJWDBIXTREY-GOSISDBHSA-N 443.891 4.687 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 1722570385 ZKFRCNOBVZPEJK-HXUWFJFHSA-N 441.576 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1722588885 HJHQALCNWUSADE-UHFFFAOYSA-N 440.657 4.768 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1CCO[C@H](C)C1 1722668447 YYAGISSQVGMWJK-NHCUHLMSSA-N 437.588 4.531 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Br)n1C[C@H](C)OC 1722675222 LAXOZBFWEQSCIP-INIZCTEOSA-N 445.361 4.571 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cscc1C(F)(F)F 1722678609 UBJCKERTVZJJTQ-UHFFFAOYSA-N 447.486 4.584 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1740536684 KZKBDHWJNZZIGE-DDUZABMNSA-N 442.336 4.751 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(CC)s1 1740538594 INIPLJMDAOURLD-AWEZNQCLSA-N 429.387 4.838 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1740569636 HHWHWDHUFDCCCU-VQTJNVASSA-N 442.007 4.971 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCc1cccc(C)n1 1740648520 IFVNKMWKIHJHLQ-UHFFFAOYSA-N 437.591 4.547 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC1CCC(F)(F)CC1 1740681946 GQASTVCEVDRCML-UHFFFAOYSA-N 428.483 4.603 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1N1CCCC1 1740742802 BRWGZIWUSKIEAQ-UHFFFAOYSA-N 430.394 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](CC)C1 1740765309 UDIDCTWMTNNHIF-XIYVOTBMSA-N 448.677 4.510 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1F 1740798846 CEHIVDBVSAGDLF-TZIWHRDSSA-N 430.568 4.565 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1740820702 NVOSMYDRRFNCHV-NHCUHLMSSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC1(c2ccccc2)CC1 1740850395 JYWNRFGLRZASFY-UHFFFAOYSA-N 432.616 4.910 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCc1csc(C)n1 1740920838 WUBVOISCABTGLB-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCOC2(CCCCC2)C1)C(C)C 1740926465 HJOZQNLANPGUBH-QHCPKHFHSA-N 441.664 4.784 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC)[C@@H](C)C1 1748731546 GFBSSKQXFIGJFO-PMACEKPBSA-N 444.023 4.632 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)C[C@@H](C)C1 1748735612 RTJXSWIIOMPJIQ-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1c(C)noc1C 1748773794 GLMOMYLEJICTOC-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCOC1CCCCCC1 1748907591 LVAVBKRYWYMFPZ-IBGZPJMESA-N 428.552 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1c(C)noc1C 1748918591 KVEFCOAQLRXBFL-AWEZNQCLSA-N 442.361 4.576 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1749044228 PGOHZWVOPWGAGB-FQEVSTJZSA-N 426.630 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)C1CC1 1749123238 CGKCYYZWYBYYQD-KXBFYZLASA-N 431.378 4.678 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCSC2)C1 1749280909 UFGUDNKEQIUPJU-IBGZPJMESA-N 425.385 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1749298918 KSLSOETXXUIUSD-GOSISDBHSA-N 432.425 4.513 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1749391503 PZESNITYJWDGBK-SANMLTNESA-N 437.632 4.629 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1749415807 VCPBXMLKXSBHGY-IBGZPJMESA-N 441.482 4.565 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCN(C2CC2)CC1 1749473738 QAFATXDQLXXXAC-UHFFFAOYSA-N 444.421 4.513 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H]1OC 1749536339 IFBVSIWXOJYEDY-BJKOFHAPSA-N 433.600 4.890 30 10 IJEE CC(C)C(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1750576402 DLFWBNQOMHQFMI-IBGZPJMESA-N 444.624 4.772 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)C)CCN(C2CCC2)C1 1752311586 DDDIJCPGNWKRKH-FQEVSTJZSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1760105220 MNOFVKIWHVVINX-JXHRLWIKSA-N 449.624 4.556 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)Oc1cccc(F)c1 1760173018 HDCHUCDSAAOWAX-IRXDYDNUSA-N 438.572 4.807 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1cccc(CSC)c1 1760295710 FYQCAUQTXVLFRY-HSZRJFAPSA-N 437.638 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC1(c2ccc(OC)cc2)CCC1 1760338266 HMWVRRJYUATYBI-UHFFFAOYSA-N 431.584 4.797 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1Cc1nc(C(C)C)cs1 1760483458 QCQLSEYDAGLHOI-UHFFFAOYSA-N 449.559 4.695 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC)N1CCCC1 1760485996 ZILRGINIVWSIEV-JOCHJYFZSA-N 446.624 4.945 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1760507908 PVLPBYWHIPOFDJ-UHFFFAOYSA-N 439.604 4.777 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](O)CC3(CCCC3)C2)cc1 1760529261 BHHJNPBXJQNUDL-OAQYLSRUSA-N 438.616 4.611 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC2CC(C)(C)C2)cc1OC 1766273529 AOKKDZDZGRPSLA-UHFFFAOYSA-N 437.588 4.919 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1770579430 CXDLGUPWXFYGOG-IEBWSBKVSA-N 441.988 4.983 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1sc(-c2ccccc2)nc1-c1ccccc1 1772791022 JMMRSDAUEJBMDE-UHFFFAOYSA-N 426.453 4.845 30 10 IJEE O=C(Nc1nc(C(F)(F)F)c(C(=O)O)o1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857920758 VNGDQHHFPUPFAW-UHFFFAOYSA-N 436.186 4.682 30 10 IJEE N#Cc1ccc(NC(=O)c2nn(-c3ccccn3)c(-c3ccccc3)c2Br)cc1 1859414690 VTLSHBALVQBCGZ-UHFFFAOYSA-N 444.292 4.821 30 10 IJEE Cc1ccc(-c2cnc(CCC(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)o2)cc1 1859742168 UDXCEALNJMSCKP-UHFFFAOYSA-N 448.486 4.827 30 10 IJEE CCc1ccc2oc(=O)c(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c(C)c2c1 1859742235 XQYNZNMYTBHXOF-UHFFFAOYSA-N 449.470 4.522 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862451161 YDZXICWOCZOHQF-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCC4(CC3)OCCO4)[C@H]2c2ccc(C)cc2)cc1 1862475395 KQOLLISJSDZROX-QHCPKHFHSA-N 447.531 4.567 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(O)cc2)c1 1862490167 PAHQCGAKBXCXJD-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2cccc(O)c2)cc1 1862534744 XNGXOUJWEAWDGE-XMMPIXPASA-N 443.499 4.742 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1OC 1862553569 MSODIGZHVZMCRW-XMMPIXPASA-N 449.547 4.959 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(Cl)c2)cc1 1862557528 MOPDAXVDGBUFQW-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc2ccccc12 1862630762 BFVYTLNVBKXNFM-NPMXOYFQSA-N 429.472 4.945 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCO)cc1 1862651978 ZEXGCIXZVPPUKR-DEOSSOPVSA-N 429.516 4.924 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 1862752268 WNIAVJHEKMVTCP-FQEVSTJZSA-N 442.418 4.784 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863331683 QTVYBCHLQSPRNN-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCC3)C2=O)cc1 1863355008 GLJHQJKJHCJYEY-UHFFFAOYSA-N 429.520 4.870 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c(C#N)c1C 1866003549 XXUPFZZBDOMVAL-UHFFFAOYSA-N 434.473 4.576 30 10 IJEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)Cc1ccc(Cl)cc1 1870147514 TXPGTNFHOXIAIE-UHFFFAOYSA-N 427.895 4.564 30 10 IJEE N#Cc1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1NC(=O)c1ccccc1F 1870147975 PEMWVSYACXAUIH-UHFFFAOYSA-N 443.282 4.568 30 10 IJEE CCCCCCn1cc(OCCCO)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870237357 FZCVIMQKWXALAB-UHFFFAOYSA-N 443.613 4.674 30 10 IJEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870889978 KJDBCBZCDRXMLL-UHFFFAOYSA-N 431.536 4.746 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1ccc(Cl)c(C)c1 1871022605 TYTMTJGFAOHUJX-UHFFFAOYSA-N 444.959 4.863 30 10 IJEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CNc1ccc(N2CCCC2)cc1 1871244198 JUMDPBFMINJWBG-UHFFFAOYSA-N 433.527 4.965 30 10 IJEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1ccccn1)C2=O 1871367715 ZSEYAWNLGOVSIM-JMIUGGIZSA-N 442.254 4.989 30 10 IJEE Cc1c(OC(=O)c2cnccn2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871370196 UFFMJDXTAKUEJT-NVMNQCDNSA-N 427.243 4.927 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)nc(Nc2ccc(Cl)c(C)c2)[nH]1 1871662783 MLOXINFYTANJER-UHFFFAOYSA-N 438.938 4.929 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872246407 HSHJIKIZZMGFFA-KDOFPFPSSA-N 426.991 4.632 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872496927 MWCZVOGHVMZXDW-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE CCCCCCCCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCCCC)C2)CC1 1872927847 CRKXZYSVZMNWRM-QHCPKHFHSA-N 449.680 4.521 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccccc2C)C1=O 1873100469 NGUVJYUFVNDLAY-OAQYLSRUSA-N 426.601 4.984 30 10 IJEE C=CCN1C(=O)C(NC2CCCC2)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1873133614 VZJVSKLSEXDLNR-UHFFFAOYSA-N 432.364 4.522 30 10 IJEE N#Cc1cccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(C3CCCC3)C2=O)c1 1873288020 PREALWSWANHDJZ-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)cc2)cc2c(NCCCN(CC)CC)ncnc21 1873626048 FZXAPPWVOMLVMS-UHFFFAOYSA-N 434.588 4.576 30 10 IJEE N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccco3)C23CCCC3)c1 1873867469 XULVMBVORJOWEC-QHCPKHFHSA-N 425.488 4.842 30 10 IJEE CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1OC(C)C 1874237605 BDABODFBEHLWOI-BUVRLJJBSA-N 440.569 4.668 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874265152 YFPLPMLFZCCBAM-WSDLNYQXSA-N 430.917 4.593 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1OC 1874267100 GCJJUCSHPZKULO-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874303554 FBDIFDMYFNJTMO-OEAKJJBVSA-N 437.525 4.726 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2)c1 1874426709 WPPAJJCWQBSJEA-PCLIKHOPSA-N 427.533 4.867 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1 1874450363 ZXIAENAAZKQFGI-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2C)cc1 1874465759 ZXJDJXXFYXNSNV-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1ccc(F)cc1F 1874479888 XBIKDUQGQQBRSY-ZVHZXABRSA-N 437.560 4.522 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)(C)C)cc1 1874487014 VMZMBVRRMPGDSI-BIKZULFDSA-N 435.597 4.736 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874503498 KVBGDVNCILSRAU-ZMOGYAJESA-N 444.532 4.570 30 10 IJEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 1874530698 WLSNUUSPEDWMFT-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE O=C(Oc1ccc(/C=N/n2cnnc2SCc2ccccc2F)cc1)c1ccccc1 1874538816 YMMQVAUEQYMHTK-VULFUBBASA-N 432.480 4.811 30 10 IJEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3cc(OC)ccc3OC)ccc2OC)c1 1874704320 ILGUNBBNWXINLM-DHZHZOJOSA-N 448.471 4.836 30 10 IJEE CCCCCCCCC(=O)NCCCc1nn2c(Cc3ccc(OC)cc3)nnc2s1 1874797686 BCLGJIXGIVCLEQ-UHFFFAOYSA-N 443.617 4.585 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)Cc2cc(F)cc(B3OC(C)(C)C(C)(C)O3)c2)CO1 1915606534 MGIOUMJXTSCYKP-HSZRJFAPSA-N 439.380 4.695 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1C#N 2010516224 OBQACLJHEILJOA-LJQANCHMSA-N 443.931 4.650 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048640859 RWQUEYSYGAERTM-SJORKVTESA-N 429.786 4.587 30 10 IJEE CN[C@@H](CC#C[Si](C)(C)C)c1ccc(I)c(Br)c1 2067280746 MFIOHRQKLOMZTI-AWEZNQCLSA-N 436.207 4.585 30 10 IJEE C#CC[C@@H](C[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076094707 HRRBRARCNHUUOF-BJKOFHAPSA-N 439.644 4.703 30 10 IJEE COC(=O)c1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079199504 DZPABHZVHLMPAX-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE Fc1cc(-n2nc(Cl)c(I)c2C(F)(F)F)c(F)c(F)c1F 2079226847 WYRXUEVJWIQHSL-UHFFFAOYSA-N 444.475 4.706 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCC 2110508465 BVMIFLDRHQKGMY-GJZGRUSLSA-N 447.776 4.679 30 10 IJEE N#Cc1cccc(COc2c(Br)cc(Br)cc2Br)n1 2125881916 UUZABYOECSZPRJ-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE CCCN(c1cc(Br)cnc1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 2174709299 DEJHCOUIESYCPI-UHFFFAOYSA-N 437.382 4.768 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2cc(Br)ccc2C#N)C1 2181144261 RIJAXJZYBYMRJR-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1(N(C)C(=O)OC(C)(C)C)CCCC1 2235721066 AMXWEOIQLPUFPP-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H](C)C1 2235723799 HYDNTQSGGAWHBY-NBCNXNJRSA-N 435.406 4.862 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C#Cc1ccccc1Br 2235745934 XABBCQUZVXGGDB-GCJKJVERSA-N 436.390 4.835 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2235749944 PNLPYMGNPNAKPN-ROUUACIJSA-N 435.406 4.814 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)CC2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2247848807 QTQDDHVQZLURNJ-UHFFFAOYSA-N 425.403 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C#N)(Oc2ccnc3ccc(Br)cc23)CC1 2285331409 YSGPWKKWIDTAQJ-UHFFFAOYSA-N 432.318 4.669 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)o1 2295979455 XWFXLLCVDOFSJT-QFIPXVFZSA-N 430.504 4.902 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ncccc1NC(=O)OC(C)(C)C 2296216268 IXMNZWCCKRVLGO-KRWDZBQOSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(O)(C#Cc1cccc(Br)c1)C2 2296229832 NMOOBZOQFDTISQ-UHFFFAOYSA-N 434.374 4.779 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1C 2296285463 AWQRCANCXCMAJQ-NBCNXNJRSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@@H](O)C#Cc1ccc(Br)cc1 2296288765 KGEQLDAXGKHOBS-FQEVSTJZSA-N 436.390 4.979 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2296311569 YLABCRCHZDPROO-NSISKUIASA-N 435.406 4.814 30 10 IJEE CC(C)c1ccc([C@@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN(C)C)cc1 2296930172 DIZOTUQIGADFMH-XMMPIXPASA-N 446.547 4.930 30 10 IJEE O=C(C[C@H]1SC(=NN=CC=Cc2ccccc2)NC1=O)Nc1ccc(Cl)c(Cl)c1 2297332326 ZVFZCPZCPHBJJD-QGZVFWFLSA-N 447.347 4.609 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1 2314716838 SWLMFCYWOGJENR-UHFFFAOYSA-N 440.451 4.785 30 10 IJEE COC(=O)c1cccc2c1c(C=Nn1c(C)nnc1SCc1cc(C)cc(C)c1)cn2C 2321817798 MSMNPCFEHDCKEZ-UHFFFAOYSA-N 447.564 4.656 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCCCO 2322339351 WCTUWKQKHRNYFQ-UHFFFAOYSA-N 445.353 4.994 30 10 IJEE C=CCOc1c(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Br)cc1OC 2322680145 JVWHKIWMCHUUTI-UHFFFAOYSA-N 431.282 4.690 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1OC(=Cc1ccncc1)C2=O 2323283238 JGDLTOZVCAJGHL-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 2323381689 WIJXYCFNLOTYEN-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE COc1ccc(C=C2Oc3cc(OCc4nc(O)c5ccccc5n4)cc(C)c3C2=O)cc1 2325201018 JFYCVFMEVQAUNU-UHFFFAOYSA-N 440.455 4.848 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)c1OC 2325726926 NSYHNJSZLDGUNA-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2328813949 BTRKCZVUUJBIGB-UHFFFAOYSA-N 439.302 4.677 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(SCCO)nnc1-c1ccccc1Cl 2329618267 IVMCFUCPHNYXST-UHFFFAOYSA-N 438.940 4.727 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(Cl)cc1 2330833268 GPFQPDDDYTYFPK-UHFFFAOYSA-N 449.005 4.590 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)Cc1cccs1 2331519580 WYKKMCKVURDGKK-UHFFFAOYSA-N 426.465 4.949 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1ccc(F)c(F)c1 2331558832 HSSFWFKTVICBGU-IBGZPJMESA-N 437.236 4.708 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c(F)cccc1Cl 2331630455 PAHWUYVEYWLCJW-UHFFFAOYSA-N 431.924 4.636 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2337522206 ZQZFEVRGSBPVHV-ZWKOTPCHSA-N 425.367 4.720 30 10 IJEE CCC[C@@H](CN[C@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C 2338511410 FPCBKNZBZYIRAW-LEWJYISDSA-N 446.441 4.720 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357064413 WJGLHZPPWKHZBA-TWFMJERGSA-N 447.428 4.802 30 10 IJEE Cc1csc(CN(C)Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1 2377430774 ANWKLOIXTZKXFM-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE C=CC(C)(C)CCN[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2379400101 FOHXIXQFDMGBLE-AWEZNQCLSA-N 425.186 4.765 30 10 IJEE Cc1ccc(C)c(N2CCN(/C(=N\c3cccc(C(=O)O)c3)NCc3ccccc3)CC2)c1 46021841 IDGCJUHZTNLVQY-UHFFFAOYSA-N 442.563 4.601 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)S/C1=N\c1ccc(OC)cc1 59108957 JTXWNJVTNKYPHO-IIPXAIGGSA-N 447.919 4.634 30 10 IJEE COc1ccc(NC(=O)N2CCC3(CC2)Nc2cccnc2N/C3=N\C2CCCC2)c(C)c1 96309739 DPWGBNYAVLWPJO-UHFFFAOYSA-N 448.571 4.644 30 10 IJEE biogenic COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922952 SGSKSSQBYBKPAP-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2cccc(F)c2)c1 169928774 CIJTYLQHAKMKLA-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(OC)c2)cc1 169931904 LNUWTUZMYCPETG-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2O)c1 169932071 OIBWWJKZVYDHHC-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2OC)c(C)c1 169939475 MBCBYWNVWIEGNH-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccs2)ccc1F 169983433 YHRPOEJVEBLFIP-FQEVSTJZSA-N 437.448 4.707 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)c1 169988286 ZHVADLUPGCURTF-IBGZPJMESA-N 427.428 4.818 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccncc2)cc1 170014959 VBZYLSZQHAZAQL-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4sc(C)nc4C)[C@@H]3c3ccccc3)nc2c1 170056200 OJXGZGBJDHQLST-IBGZPJMESA-N 444.516 4.728 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccccc1OC 170125031 ATYFQPXFSCHPTP-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(O)cc1 170137384 XSAQPGXAFWZSIB-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccnc1 170188573 PPBHHDRXFOEDAL-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)ccc1Cl 170199132 OQPNCXLAROWYFR-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(OCCC)cc1 170215422 BHPFANFIJKQSKM-JOCHJYFZSA-N 437.492 4.583 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@@H]1CCCO1 170315910 GMVYUVXRIPAJOW-LAUBAEHRSA-N 433.529 4.967 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(C)=O)c2)SC1=Nc1ccc(C)c(C)c1 252623363 OPHBSCZBWVXKMO-OAQYLSRUSA-N 435.549 4.652 30 10 IJEE Cc1cc(C)c(NC(=S)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c(C)c1 254569577 RVTZUKYKCSEOGY-UHFFFAOYSA-N 446.551 4.988 30 10 IJEE CC(=NOC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O)c1ccccc1 254736819 PBYHZTBIBPTECE-DOELRVDCSA-N 444.512 4.694 30 10 IJEE C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1cc(C#N)ccn1 436006675 KEVUHZICYLSPPL-CYBMUJFWSA-N 447.545 4.591 30 10 IJEE N#Cc1c(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc2ccccn12 469560049 HEFDLVSXZMZJCL-INIZCTEOSA-N 440.347 4.821 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 503396832 SJQCOEVNIRHPDD-INIZCTEOSA-N 435.240 4.668 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)c3ccc(OCC=C)cc3)CC2)cc1 514046513 SVOGBOYJLWNTGF-QHCPKHFHSA-N 448.563 4.583 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 520640089 YCBIZJYNYLWYEU-UHFFFAOYSA-N 433.224 4.515 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)cc2)cc1OC 526489843 SYLDFGKBMKIUCP-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)c(Cl)c2)c1 526514524 DOEYPLDNIKJWIT-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccnc2)cc1OCC 526607689 SZTMTTFWSLWIAR-XMMPIXPASA-N 441.487 4.808 30 10 IJEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 526745060 XFWVCBMCLNKKKQ-QFIPXVFZSA-N 449.409 4.673 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(N2CCCCC2=O)CC1 555248274 OGUKPNMUCHLTGF-UHFFFAOYSA-N 447.505 4.521 30 10 IJEE C=CCn1c([C@@H]2COCCO2)nnc1N(Cc1ccccc1C(F)(F)F)C1CCCC1 562904993 GYVQXRVVOJZHEW-IBGZPJMESA-N 436.478 4.520 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 582599016 RHLXEZDDTOPPFE-LJQANCHMSA-N 431.588 4.739 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)c1 585822882 JCXJXUBCXJQSFD-UHFFFAOYSA-N 437.559 4.627 30 10 IJEE C=C(CC(=O)/C=C/c1ccccc1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585826730 WKUOMDFCTLFMEG-OUKQBFOZSA-N 431.580 4.659 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccc(C#N)cc1 586153682 QMNRHBRSDIVDNG-UHFFFAOYSA-N 440.952 4.654 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c(F)c1 609240344 BYTNDJCUJBIILK-UHFFFAOYSA-N 439.494 4.609 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720812028 GCKXOTQEWAAGQF-QFIPXVFZSA-N 442.520 4.619 30 10 IJEE COc1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1cccc(C#N)c1 741794905 DYMADOTYXSOXDL-UHFFFAOYSA-N 448.519 4.808 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1cnc(C2CCC2)s1 760340459 VCKYYIKWGLXPKM-QGZVFWFLSA-N 448.411 4.692 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CCC(c3cccnc3)CC2)c1=S 768459461 LMGPDMYUJSIEMP-UHFFFAOYSA-N 439.560 4.550 30 10 IJEE C=C(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(F)cc1 777450542 UXPLRZPDLUEDRY-FQEVSTJZSA-N 439.512 4.565 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1C#N 779942015 YJOGPXIPFKIBHP-UHFFFAOYSA-N 428.420 4.781 30 10 IJEE CCCCCSc1nc2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2s1 780202760 DKGHFKYLBMNVRU-UHFFFAOYSA-N 430.599 4.669 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@H]3C2(C)C)c1 783601395 WTLYEWUVZNSWFX-UMEGOILYSA-N 444.572 4.679 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1cccc(Cl)c1C 799211571 BPVKBSFPUGUZJF-LJQANCHMSA-N 443.956 4.831 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)CCc1nc2cc(Br)ccc2s1 803520041 HLNVVMPATAKZIZ-QGZVFWFLSA-N 427.367 4.742 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(F)cc1 812749748 CAYLUCBDMSEQJV-PKTZIBPZSA-N 434.898 4.831 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1oc2ccc(Cl)cc2c1C 925480668 GQQPWDTZQATAIP-HNNXBMFYSA-N 440.883 4.895 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2C)n[nH]1)c1ccccc1 1084287896 NPZOHISVGBBDKX-UHFFFAOYSA-N 428.949 4.724 30 10 IJEE CCO[C@@H]1C[C@@]2(c3ccccc3)C(=C(c3ccccc3)O1)C(=O)C(=O)N2c1ccccc1 1088741882 UARGELSDXPOUED-WXVAWEFUSA-N 425.484 4.692 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1125778979 BOZOQRCOYNFHIF-GMAHTHKFSA-N 436.527 4.796 30 10 IJEE C=CCC[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1127412082 XGYKAHIZQJCGKO-LJQANCHMSA-N 449.429 4.557 30 10 IJEE C#CCOc1ccc(COC(=O)Cc2csc(-c3cc(Br)cs3)n2)cc1 1127867148 MRGYUVWUAJIKCT-UHFFFAOYSA-N 448.363 4.932 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 1135901585 OPKYQGDKSXRDHD-OCCSQVGLSA-N 442.894 4.645 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCC#N 1136708792 LSRGJDMYQKXJHB-DEOSSOPVSA-N 431.536 4.670 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)C(C)C 1144197068 CSQOYKVMWWIVTA-JWQCQUIFSA-N 432.564 4.569 30 10 IJEE COc1cc(C#N)ccc1CN(Cc1ccc(C)cc1Br)C[C@H]1CCCO1 1169853382 FFNHJICADWPJFV-HXUWFJFHSA-N 429.358 4.819 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)c(Cl)c1 1179651172 JVVMXVIBFMZTKF-UHFFFAOYSA-N 442.899 4.822 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1SC(F)(F)F 1180238362 DKHUOSIENRCJRS-ZDUSSCGKSA-N 438.899 4.951 30 10 IJEE C=CCOc1ccc(CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C(C)(C)C)cc1 1192052219 CINIEOZQPGHTDE-UHFFFAOYSA-N 435.568 4.616 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 1214719699 VUMYDBAUVOQKJC-UHFFFAOYSA-N 425.488 4.665 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1216891647 OIUJVHLYFZREED-SJORKVTESA-N 441.494 4.972 30 10 IJEE C#CC[C@@H](NC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)c1ccccc1 1218690864 ZHNXOSYOBRHHGV-HSZRJFAPSA-N 447.560 4.990 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccccc1SC)C1CCN(C(=O)OC(C)(C)C)CC1 1235578237 BKJFUTKRGQCPFP-QGZVFWFLSA-N 431.602 4.514 30 10 IJEE C/C(=C\C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccc(C(F)(F)F)cc1 1270685872 LSURUQSKYDYYOO-NTCAYCPXSA-N 433.861 4.983 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1286285685 OZUQGVUHIRBVHH-MRXNPFEDSA-N 432.597 4.881 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCOC1CCCCC1 1286303104 XNELRETWBMHBAA-SFHVURJKSA-N 430.980 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccnc1OCC 1286303686 CBZZOFHGPWLILO-INIZCTEOSA-N 441.988 4.524 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(F)(F)CC1 1286317016 IKDNUIYHSCSWJC-UHFFFAOYSA-N 441.295 4.886 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1oc(CC)nc1C 1286420783 KHHYNWJKQGWRCR-KRWDZBQOSA-N 447.608 4.501 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1cccs1)N(C)C 1286440990 OYSMQEWXWRDOJM-SFHVURJKSA-N 431.968 4.562 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)CCc1cccs1 1286584578 NNMKXBLGYIXLME-UHFFFAOYSA-N 434.407 4.753 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC=C(Br)C1 1286585940 TURZVZKESBJYLU-MRXNPFEDSA-N 447.377 4.882 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1286698204 PHMHLURWGUKFTA-UHFFFAOYSA-N 432.572 4.615 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(F)cccc1OC(F)F)C1CC1 1286736972 IPYPJGPAUYUPMM-UHFFFAOYSA-N 429.446 4.592 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CC12CCOCC2 1286740402 LHSGXVXFXRZMOZ-NRFANRHFSA-N 438.616 4.885 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H](C)C1 1286741644 BJBYUSNJFSRCPT-SIKLNZKXSA-N 431.540 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1cc(C)cc(C)c1 1286749551 WAXLATPNQLEIAR-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(F)(F)CC1)C(C)C 1286750583 DFTFQTNFMVBKNK-NRFANRHFSA-N 429.559 4.879 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCC(F)(F)CC1 1286759034 YJSCHGMTIOHMDY-FQEVSTJZSA-N 430.499 4.795 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1 1288364721 RFRIULLTZJRLCK-QFIPXVFZSA-N 447.000 4.952 30 10 IJEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1291077364 AMMXBHHUEBCJPX-KBJGYGKASA-N 448.398 4.933 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC(C)(C)CC2)c1 1292612464 RDHWIFIIKNDAFE-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1300324548 HFNGYWOELFYRQO-ZWKOTPCHSA-N 449.624 4.507 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](SCC)C1 1300371542 GIJHEMARNPLDFG-QFIPXVFZSA-N 437.613 4.644 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1300371907 ZPUKFGAWWITVHE-QFIPXVFZSA-N 447.652 4.812 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(OC)CCCCC1 1300547357 KMZFDQKFPBOVGN-UHFFFAOYSA-N 443.016 4.646 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCCCC2)CC1 1300980514 QKWSLPCHJIPPAF-UHFFFAOYSA-N 437.632 4.555 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1Cc1cccs1 1301029471 OYVWLUQIFCPKGJ-INIZCTEOSA-N 444.988 4.988 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1301095056 AGISFQAVHSAZGP-LEWJYISDSA-N 438.616 4.984 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCN2CCCC2)CC1 1301106969 ZDGCQGSPDINHAP-IBGZPJMESA-N 444.023 4.960 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301207998 KURUTYHMQKKGPQ-CUVVAGTFSA-N 438.616 4.982 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cscc1C(F)(F)F 1301305576 HLNNZYQAPLGHGW-UHFFFAOYSA-N 436.503 4.823 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@@H]21)C(C)C 1301367473 OPUUWGLGJQNNKX-PZUNEJSGSA-N 444.627 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC1C[C@@H](C)O[C@H](C)C1 1301411245 VZEAVJIFZBTGSK-WOJBJXKFSA-N 435.572 4.680 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3cccc(Cl)c3)C(C)C)ccc2c1=O 1306883966 NEXIFGXNLFOYLF-UHFFFAOYSA-N 427.957 4.575 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCC(C#N)(c3ccccc3)c3ccccc3)[C@@H]2C1 1307862307 DIOZPOPNDKPSOD-ZJSXRUAMSA-N 431.580 4.828 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cnc(-c3ccc(C)c(C)c3)s2)cc1 1308516949 SVRZPSXCTQHRHZ-UHFFFAOYSA-N 427.595 4.846 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N1C[C@@H](CCNC(=O)OC(C)(C)C)c2ccccc21 1310513085 BEZRGUUZVDPUFN-QGZVFWFLSA-N 436.512 4.617 30 10 IJEE C=CCCO[C@@H](C)C(=O)Oc1ccccc1C(=O)OCc1ccc(Br)cc1 1352583873 GRAKIDZKXCEHGJ-HNNXBMFYSA-N 433.298 4.693 30 10 IJEE Cc1nc(SCC(=O)NCc2ccnc(OC3CCC(C)CC3)c2)c(C#N)c(C)c1C 1353684873 CDJUMMBPULTRMY-UHFFFAOYSA-N 438.597 4.640 30 10 IJEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2[C@H]1CC 1359053545 QNMCBFHIINCDRX-HXUWFJFHSA-N 433.606 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)C(C)C 1359066623 HWJKCMFXVHVOHK-PKKBDPGCSA-N 426.630 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC1(SC)CC1 1359067727 ZHNCGCHBUVOOOA-LJQANCHMSA-N 449.393 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C)cs1 1359108112 CBOYYOFVXCSNJO-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC1(C)C 1359112444 JYRDMDVIAOOIJR-LJQANCHMSA-N 431.625 4.841 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1359135133 SQXZYYCODUZVBY-UHFFFAOYSA-N 447.505 4.722 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCO1 1359145240 KDTSVJXOQKLPOO-CYBMUJFWSA-N 446.176 4.729 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCn2ccnc2C)CC1 1359173312 CCDVMLBHULLFBW-SFHVURJKSA-N 438.551 4.555 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C1CC(C(C)(C)C)C1 1359276139 TZIPPSGVEHJGJZ-UHFFFAOYSA-N 448.571 4.751 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)Cc3ccc(OCc4ccccc4)cc3)CC2)c1 1360139206 CHOMYOOSLMOGHC-UHFFFAOYSA-N 426.516 4.750 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](Nc2ncc(C#N)cc2Cl)C1 1458475497 HNTWZOGOELLQIN-IEBWSBKVSA-N 430.911 4.951 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@H]1CCCO1 1458818109 XXVHLNWGIMPJQQ-IEBWSBKVSA-N 442.606 4.642 30 10 IJEE C=C(C)CN(CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)Cc1ccccc1 1460055091 LQGDOIXQISBJSF-KRWDZBQOSA-N 426.582 4.676 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1 1467284529 XWZHRNAZPFUOKJ-UHFFFAOYSA-N 442.475 4.752 30 10 IJEE C=CC[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccncc1 1468883895 ICPHHQZCIJYOPS-FPOVZHCZSA-N 436.556 4.927 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(Br)cc1 1468921113 QSPBQILRSHJNIL-MJGOQNOKSA-N 446.776 4.745 30 10 IJEE C#CC[C@@H]1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1470368429 LUGGKIRIGFKXIO-APWZRJJASA-N 427.545 4.691 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4cccc(C)c4)c3)cc2n1 1472037616 WOMBWFHQXKWLHM-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1Cl 1474129296 BNVRGKQKPUXNKG-GOSISDBHSA-N 435.749 4.562 30 10 IJEE COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2)cc1 1476323548 BOBSIRRMNUOGNZ-GOSISDBHSA-N 449.942 4.893 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1479586053 RQZLSZXOUUMPPW-NNWRFLSQSA-N 443.588 4.884 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1noc2c1CCCC2 1507542994 NMOHZIVEWLUOLM-LJQANCHMSA-N 447.583 4.662 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC[C@@H](C)C1 1507714293 MACUEJABIIMSAV-MSOLQXFVSA-N 433.021 4.746 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)COc2ccccc2OC)CC1 1507896604 IIPPEFCDZLYWSR-GOSISDBHSA-N 436.556 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1507917576 SRZABAZBOCSDIP-UHFFFAOYSA-N 429.584 4.553 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1Cc1oc(CCC)nc1C 1508004827 QJFJOIDXVYXXQQ-UHFFFAOYSA-N 428.540 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(N(C)C)CCCC1 1508014498 ACURXUFUDIJFNI-UHFFFAOYSA-N 430.600 4.855 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C)n3cc(Br)cn3)c2C#N)C1 1523678117 CBXGZNCENFTJSH-CHWSQXEVSA-N 435.391 4.929 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)CCCOc1ccc(I)cc1 1526100505 ZKYXWLPDSYXIBL-UHFFFAOYSA-N 435.305 4.665 30 10 IJEE Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2n1 1527665240 HPBNVZDRJTWRFR-UHFFFAOYSA-N 447.445 4.873 30 10 IJEE Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccn(-c4cccc(C#N)c4)n3)s2)cc1 1529712902 HANBVXHLUAYCJM-MRXNPFEDSA-N 427.533 4.975 30 10 IJEE Cc1cccc(CN2CCCC[C@@H]2C(=O)OCc2cc(Br)cc(C#N)c2)c1 1530810802 DGKYEACZIKBOMF-OAQYLSRUSA-N 427.342 4.727 30 10 IJEE C=CC[C@H]1N(C(=O)c2cnn(-c3ccccc3)c2I)CCCC1(C)C 1530839877 NRRRVVAXNJKIST-QGZVFWFLSA-N 449.336 4.684 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)cc1 1533420173 RLVNDABOYVZCHX-UHFFFAOYSA-N 442.346 4.667 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1OC 1535366651 YUKXBECTZHTLKL-RASCPFJESA-N 431.891 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1537258234 PINUKMLQYVYHGD-GBAJDQEWSA-N 434.621 4.680 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCC[C@H]21 1539065504 HBQILHUJBUIZOB-PWRODBHTSA-N 441.620 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CSCCS1 1539652089 NCHYLUZDQOSFKK-KRWDZBQOSA-N 440.585 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCSC2(CCOCC2)C1 1539691230 PUJMQYWMZAJJBO-UHFFFAOYSA-N 426.630 4.921 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](c2ccco2)C1 1539757846 BCUAVQUJZOYXMQ-OAQYLSRUSA-N 436.556 4.654 30 10 IJEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1540039962 LGYCRJQKCORCQI-AREMUKBSSA-N 447.583 4.648 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)NC1CCCCC1 1540054841 WOZRTCGOZXXRGQ-QGZVFWFLSA-N 441.645 4.593 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCOC(C)(C)C)C1CC1 1540099253 VOVOZRULKGRBTL-UHFFFAOYSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 1540360450 RMJSTQJJSHYAMP-XSFVSMFZSA-N 437.952 4.782 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(F)(F)F)cc2)C1 1541989205 HXZUTCXNAJBBIX-NRFANRHFSA-N 426.446 4.537 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 1542502988 BTAHBEPWPDJKNE-IIBYNOLFSA-N 444.551 4.747 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc1 1543576948 VMPIDFUSEPXNBK-RUZDIDTESA-N 433.479 4.764 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)cc1OC 1544550195 WPFXWLJRUYQCNL-ZRDIBKRKSA-N 449.956 4.747 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCN(C(=O)CC(C)C)CC1 1562321639 AZENYVRCUPICEG-UHFFFAOYSA-N 448.567 4.558 30 10 IJEE CC(C)[C@@H](CCN(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C 1562429844 CFSTWAYDHJGPHD-QGZVFWFLSA-N 442.482 4.980 30 10 IJEE C[C@@H]1OCC[C@]12CN(C(=O)Nc1ccc(Sc3ccc(Cl)cc3C#N)cc1)CCO2 1562953252 IBXZOQXIRIJEED-NYHFZMIOSA-N 443.956 4.775 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 1585301310 JRLSFRIZCGRXSJ-IBGZPJMESA-N 440.499 4.660 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cn(CCCC)nc1C 1587561655 GIYJSAJTPDOLHU-KNQAVFIVSA-N 448.615 4.846 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NCc2c(F)cccc2-n2cccn2)cc1 1587575801 FTPBWIJYFYGQED-UHFFFAOYSA-N 428.492 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OC(C)C)nc1 1587593840 NWVHDBAQYNGRIW-OAHLLOKOSA-N 444.366 4.940 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1587777532 IQUXZKZVAGZIRN-FXAWDEMLSA-N 426.611 4.762 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(CC)s1 1587939673 DHAVEIYNYPXDEX-UHFFFAOYSA-N 432.549 4.859 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@H]1CC 1589162817 GIFVJEITZRLJFW-HYFFOGBASA-N 444.421 4.865 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCCO1)c1ccccc1 1594552204 JDXUMRFRJIDHMN-DNQXCXABSA-N 448.615 4.505 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](c2ccco2)C1 1594573358 RRWONZJHNSCKMK-GOSISDBHSA-N 446.349 4.563 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CNC(C)=O)CC1 1594581891 FQDAKFCNJQLICQ-UHFFFAOYSA-N 437.632 4.951 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1595170417 CDGUBQIEDNDJNA-PXDATVDWSA-N 437.588 4.673 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC(F)(F)CO1 1595178903 RPBPAVBQNAFIFZ-MOPGFXCFSA-N 432.515 4.638 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC2(C)C)C1 1595699868 IJSAOWRBMLBGHZ-HOCLYGCPSA-N 449.368 4.674 30 10 IJEE C[C@@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CC(F)(F)C1)c1nccs1 1611446941 AJGSWIBKEYYVHN-AWEZNQCLSA-N 428.512 4.558 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)c1ccccc1 1618598365 VIPXUIUFHGCWFP-SSEXGKCCSA-N 433.455 4.804 30 10 IJEE C#CCN(CCCc1ccc2c(c1)CCO2)[C@@H]1CCOc2ccc(Br)cc21 1621193695 PVZOUKHUPIFOIT-OAQYLSRUSA-N 426.354 4.776 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)CN(C(=O)OC(C)(C)C)C1 1624873169 NNHYLZRDSGVRRM-UHFFFAOYSA-N 432.524 4.753 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccc2)nc1 1626124729 JUDITNAVIDJYKL-SFHVURJKSA-N 431.920 4.635 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O 1626325151 PTGAMYOCNFYCHK-HXUWFJFHSA-N 436.458 4.840 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC[C@@H](c4cccc(Cl)c4)C3)ccc2c1=O 1626703742 PVUTTZIYCVAWLC-QAPCUYQASA-N 439.968 4.591 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 1631509061 IXQTWLIVPDNTNL-NRFANRHFSA-N 445.466 4.523 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1640397084 GINJQINQIDMJAV-UGKGYDQZSA-N 426.582 4.969 30 10 IJEE C=CCn1c(S[C@H](C(=O)OCC)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640560901 TYMKCAKLTYEHRO-SUMWQHHRSA-N 434.627 4.839 30 10 IJEE N#CC1(CSc2nnc(CN3CCCCC3)n2-c2ccc(OC(F)F)cc2)CCC1 1640601558 ATMKRHDNRAPCPO-UHFFFAOYSA-N 433.528 4.641 30 10 IJEE C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1642940472 BSVBNCDKBAMKGB-YWZLYKJASA-N 442.350 4.987 30 10 IJEE C#CCN(C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788408 SBQJEJHBOGJMAZ-UHFFFAOYSA-N 449.473 4.662 30 10 IJEE CC(C)[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C(C)(C)C)cc1 1645402921 BVMANONSVZHLLH-XMMPIXPASA-N 429.568 4.967 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)cc1 1645962207 NTAZUULQLIRSHX-HSZRJFAPSA-N 435.568 4.632 30 10 IJEE C=CCOc1cccc(CNc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)c1 1658567158 NENQAIJZMDSICG-JCYRRQQNSA-N 440.609 4.967 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(CNC(C)=O)cc2)cc1OCC 1661716150 KNMOODMUYUKFGH-UHFFFAOYSA-N 433.346 4.661 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(C)C 1665701088 JGSCEQUFFKXXCH-NRFANRHFSA-N 426.630 4.884 30 10 IJEE Cc1cc(NC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)c(C#N)cc1N(C)C 1670675184 AYVVSBMYAGGKGF-OALUTQOASA-N 433.600 4.732 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)CCCCCCNC(=O)OC(C)(C)C)cc21 1673311884 NKMDNZQNIOUJGC-UHFFFAOYSA-N 429.565 4.771 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1scc(C(=O)OCC)c1C(=O)OCC 1674246522 KMASNNWXXSGRJF-UHFFFAOYSA-N 430.526 4.712 30 10 IJEE COc1cc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(F)cc1C#N 1679428021 FJFXHVLFKQIQIE-UHFFFAOYSA-N 444.510 4.645 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2ccc(I)c(C)c2)CCCC1(C)C 1680711487 SINDHDGFBPAMGD-QGZVFWFLSA-N 426.342 4.876 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 1683734247 RCXBEWZDEJXVAC-DEOSSOPVSA-N 448.611 4.667 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccnc(Oc2ccccc2F)c1)c1ccc(Cl)cc1F 1686346795 QXJBMENDFWOJLH-LJQANCHMSA-N 427.838 4.979 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1689877122 QXIZKFGTOYXDTK-CTNGQTDRSA-N 440.563 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCCc1nc(C)cs1 1690035549 CMFVVUFCHUHJJX-UHFFFAOYSA-N 438.000 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCN(C(C)C)C(C)C 1690201318 FRAGAERNQMKUJH-AREMUKBSSA-N 432.616 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1690201566 PHHSHSGESHBKHJ-SIKLNZKXSA-N 443.448 4.953 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCC1CC1 1690238927 PHWWCEUYLVYNQM-VQIMIIECSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N(Cc1cccs1)Cc1ccccc1OC 1690239680 ZLCGQGXLBMDKRJ-NFBKMPQASA-N 438.597 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1690241170 PILBRZWRCSFFBN-HJOGWXRNSA-N 438.616 4.740 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)C[C@@H]1CC=CCC1 1690250822 LVURXAZKFQACIO-SLSDLSHTSA-N 436.600 4.939 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C1CC1 1690252152 AKIWDPUTLNRJQT-XOBRGWDASA-N 437.371 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc(C)c(C)s1 1690271162 GBBRXDRBQUWHQD-UHFFFAOYSA-N 425.602 4.998 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1690415298 GUSYPDVBLRWUNO-OAQYLSRUSA-N 444.023 4.787 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1690472560 QBBKKEDAGDOIEE-NQIIRXRSSA-N 428.552 4.919 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1690480478 KEILRONAFNIMOC-PMACEKPBSA-N 448.615 4.914 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(C)cc1C 1690535983 LOBVMLSRJNAGDS-OYRHEFFESA-N 439.604 4.531 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1OCCC1(C)C)C1CC1 1690540094 ZLFBECLXJGVGRH-GOSISDBHSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO1 1690579123 DLCYBVLAUXGLPK-LJQANCHMSA-N 444.988 4.944 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(F)(F)F)cc1C 1690620039 MXHFJBGLOSNMBV-UHFFFAOYSA-N 445.489 4.663 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCC(C)(C)C2CC2)c1 1705506646 DHGRNNGPSYEWLA-UHFFFAOYSA-N 433.600 4.818 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@](C)(CC)C1 1705509575 KUOMNEXQLVYTOH-IBGZPJMESA-N 437.407 4.578 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1ccc(C)cc1 1705606130 LPRPYJATBKRWNF-QGZVFWFLSA-N 440.389 4.618 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC1CCCCC1 1705710391 XNVRBXCSTASDIT-YKSBVNFPSA-N 442.579 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C)nc1 1705711099 AQOHXUAELSXDOC-UHFFFAOYSA-N 426.362 4.862 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1705797577 YPIZXZRETNLDJK-FCHUYYIVSA-N 446.599 4.879 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(Cl)cccc2C1 1705810215 RETMCWDENDGCTG-RXVVDRJESA-N 430.980 4.575 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CCNC(=O)OC(C)(C)C 1705863336 OOWXORKPFVVQEH-KRWDZBQOSA-N 431.556 4.648 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCSC1 1705871626 QPXNHKMARLZKEI-INIZCTEOSA-N 433.419 4.948 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1ccc([C@@H](C)O)cc1 1705879392 XFVOXXCHIQLSPK-LJQANCHMSA-N 432.524 4.776 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCSc2ccccc2)C1 1705926454 DOEBUYHEKDYZQQ-LJQANCHMSA-N 426.611 4.504 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCC1 1706462145 ALDNFEIYTPRVOX-UHFFFAOYSA-N 441.645 4.957 30 10 IJEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1708819555 FLMDWTXGRNMGPL-UHFFFAOYSA-N 429.977 4.719 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(C)C 1711641806 BPCMOAYINFANQN-XODKDNOYSA-N 437.588 4.773 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC1CC(F)(F)C1 1722480874 VIGWSIIFFWYBJO-UHFFFAOYSA-N 431.712 4.989 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(Oc2ccccc2)nc1 1722512344 AMOYUOTYBYXFJB-UHFFFAOYSA-N 428.540 4.922 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722618785 NWPPDRBOLIDHFT-LJQANCHMSA-N 445.633 4.732 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccoc1 1722625668 TWOYGYKAFVGITC-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC(C)CC1 1722633472 ICLGWERUXXMWJJ-IFMALSPDSA-N 425.621 4.778 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722636905 NNKIJQCVYZVUJT-YLJYHZDGSA-N 426.561 4.526 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1722681825 UAISSFKJXVQZSU-FYYLOGMGSA-N 426.605 4.673 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CCCS1 1722692612 RTHAQNYTDIUYOA-MBSDFSHPSA-N 447.649 4.814 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(F)cn1 1740540922 ODYOBRWPZUMHEB-HNNXBMFYSA-N 435.503 4.853 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC(=C)C 1740574860 JBCUNAIVJVRMQV-FQEVSTJZSA-N 429.609 4.599 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)OC(C)(C)C1 1740581720 DBBORNPTBVIISP-UHFFFAOYSA-N 437.407 4.576 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(NC(=O)CCC)CC1 1740584246 JFKWIXOTCYUYMF-UHFFFAOYSA-N 448.398 4.550 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OCCC)nc1 1740664773 BYTGABNJZUJULZ-UHFFFAOYSA-N 444.366 4.944 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1c(CC)noc1C 1740728304 VDEXTGCDVCPQPR-HSZRJFAPSA-N 439.947 4.506 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1C1CCC1 1740747909 AKAKNBAZSBMIKQ-IBGZPJMESA-N 431.378 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H]1CC 1740768053 SPMRFHSKPAVDMH-ROKPMTFOSA-N 440.588 4.616 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](c2ccco2)C1 1740779427 GBIVEWLISHRLRI-IBGZPJMESA-N 443.345 4.763 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CCC 1740794628 FHXMKUGFCYJKHE-UXHICEINSA-N 449.640 4.610 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740800544 FWJJWXRTCWGTGQ-DBVUQKKJSA-N 427.980 4.915 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1740860427 DVFPDJPSXMINQD-LJQANCHMSA-N 427.593 4.580 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740927819 PDJRYODKEGOPQG-MRXNPFEDSA-N 439.913 4.661 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC(C)CC1 1740935151 CUNLIYPWSYONLZ-HSZRJFAPSA-N 444.627 4.696 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)c1ccccc1 1740947394 XQDISGDKBDJCQZ-PZJWPPBQSA-N 439.604 4.819 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 1741004492 CCNNFFTUVSMZLD-QPPBQGQZSA-N 442.629 4.579 30 10 IJEE C=CCSCCn1c(N2C[C@@H](C)C[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741005572 YZOJSRJSYIKVKC-INDMIFKZSA-N 449.665 4.593 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCC1(F)F 1748943567 AXDXUHHSFLRRAI-IBGZPJMESA-N 439.485 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1749060974 HDQKRRXSDPOTEK-NYUJMHJJSA-N 449.599 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1C 1749124499 OCALYRNARLMLPP-MDZRGWNJSA-N 431.378 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCOc2cccc(Cl)c2)nnc1C(C)(C)C 1749139726 IPQNEEJVULBLHS-XLIONFOSSA-N 432.996 4.725 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1749240181 UYBDMHIGMFXIEI-UHFFFAOYSA-N 446.020 4.947 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)C)C1 1749281398 BCGYGIRJMYLIEY-KRWDZBQOSA-N 427.401 4.838 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 1749312888 WYXWGJICYOLHRB-OAQYLSRUSA-N 437.613 4.686 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cn(CCCC)nc2C)CC1 1749347664 ROTVWVNJHZQVCQ-UHFFFAOYSA-N 448.615 4.921 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1 1749487270 MKAURGUENDDPDX-OAQYLSRUSA-N 437.588 4.728 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC[S@@](=O)C(C)(C)C)C1CC1 1749512259 WGGTWONSRRXDQS-MUUNZHRXSA-N 441.428 4.954 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1Cc1cc(Br)ccc1OC)C1CC1 1749516853 GVRAXQJFWPNAJE-UHFFFAOYSA-N 431.378 4.910 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Cc2cccs2)C1 1749700615 LUFVHMOAGYHFDK-SJLPKXTDSA-N 444.004 4.715 30 10 IJEE Cc1nc(CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)sc1C 1751333081 DHHRTFVDTQVKQD-GDBMZVCRSA-N 442.564 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1scnc1C 1760105444 PKWXSISPAOCZRH-SFHVURJKSA-N 437.613 4.836 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCCC1 1760137014 DQHXSZVBJDZKNP-OAQYLSRUSA-N 443.636 4.967 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(C#N)CC1 1760275359 WFNPKPYOGAPLNU-FQEVSTJZSA-N 437.613 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](SC)C(C)(C)C 1760299526 XZKVEFCXAWUTLI-NRAIQUKZSA-N 432.678 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCC1CCN(CC)CC1 1760338662 OEPYSTJHKIKAHU-UHFFFAOYSA-N 431.575 4.672 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCC(C)C)CC1 1760389449 KQMRZEQWLYNSHZ-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1760408118 CGHYKQRNCMEMJT-UHFFFAOYSA-N 439.648 4.657 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)C1 1760409229 NYWXZIJLRMPUCS-UHFFFAOYSA-N 435.572 4.598 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)c1ccccc1 1760419895 FETNBTSXGZONNF-JOCHJYFZSA-N 444.627 4.860 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(Cc1cccs1)C1CC1 1760433707 LJTGPPPTNYCRHN-UHFFFAOYSA-N 442.610 4.545 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C2CC2)CCC1 1760463246 WSDOTEBHYZXCON-GOSISDBHSA-N 429.609 4.595 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(N2CCCCC2)c1 1760463703 MZILUNKHRJBEQN-UHFFFAOYSA-N 436.991 4.578 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(Oc2ccccc2)nc1 1760493528 HDHHLCJSBFMIIT-JOCHJYFZSA-N 431.540 4.934 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1oc2ccc(F)cc2c1C 1760503121 ZSSNXNWERYZBHG-UHFFFAOYSA-N 435.503 4.529 30 10 IJEE C=CCSCCn1c(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nnc1C(C)(C)C 1760568261 DCBGFRHZTRCOQV-HNNXBMFYSA-N 442.555 4.552 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nc(C(F)(F)F)cs1 1760993904 IDILTZQKRGRONK-UHFFFAOYSA-N 434.491 4.508 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)C(C)C 1761074564 APCRKGJPBXYGHU-VWLOTQADSA-N 434.588 4.666 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(C)(C)C)CC2)s1 1761782658 BHLLBZLVLWFVCN-UHFFFAOYSA-N 434.613 4.546 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]2CCC[C@H]21)N(C)C 1762160874 HGDSJHNPYHUXDA-JRFVFWCSSA-N 434.632 4.952 30 10 IJEE CCOC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CCCC1 1765941560 CZHFBVFRDAFBEK-UHFFFAOYSA-N 427.980 4.612 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(C)C)CC2)cc1Br 1768440090 BGTOOVNNRUCKKZ-OAHLLOKOSA-N 446.393 4.891 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)C(C)(C)C 1770439899 GGFWAIMLFLJDLW-QHAWAJNXSA-N 439.629 4.742 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2O[C@H](CC)C(C)=O)SC1=Nc1ccc(O)cc1 1772762955 KWVBJTKPAHIEAQ-MIQVOWMPSA-N 436.533 4.929 30 10 IJEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)c2cccc(C#N)c2)c(C)c1 1858720747 PPLZISVMHJXAAY-SFHVURJKSA-N 428.492 4.537 30 10 IJEE COc1ccc(C(=O)N2CCC(c3ccc(OC(=O)c4cccc(C#N)c4)cc3)CC2)cc1 1860693289 VLZONWILNJJFNE-UHFFFAOYSA-N 440.499 4.806 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860933549 BLXJLFJBOPQWHU-XMMPIXPASA-N 430.568 4.601 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862398295 SVHBMTFTPFAZPL-OAQYLSRUSA-N 438.480 4.631 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(CC)cc1 1862402198 SUZCXWMQIAHSGV-HSZRJFAPSA-N 437.536 4.571 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1C 1862411577 KZYVLDMLGIATCB-QFIPXVFZSA-N 442.506 4.583 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1862433071 UHXOYNSRLWREDW-LJQANCHMSA-N 434.319 4.998 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862444559 AVSUPLPVOAWBJT-QFIPXVFZSA-N 449.938 4.768 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(N(C)C)cc1 1862460361 VOODDEQUGWPJGP-ODXCJYRJSA-N 432.442 4.547 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2cccc(C)c2)cc1 1862475301 IHUUBHDFBQHMGD-XMMPIXPASA-N 432.564 4.758 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862540817 WWQSWHWRJUBDKQ-LJQANCHMSA-N 429.900 4.603 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2F)c1 1862561843 YCMPZCVMDONXLS-QFIPXVFZSA-N 434.442 4.634 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2F)cc1F 1862638883 MNNCSSVUQPEDSF-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862849187 BAXQQWOWYDZDRP-UHFFFAOYSA-N 440.462 4.980 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(C)ccc2C)C1=O 1863403013 QHNCTYQFPSQRMF-UHFFFAOYSA-N 431.536 4.574 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cccc(Cl)c1 1864109212 GCNBNQDBLRCGPT-IBGZPJMESA-N 430.980 4.553 30 10 IJEE C=CCN1C(=O)c2cccc(O[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C1=O 1865828189 XTVCGCZOJWGQRT-QGZVFWFLSA-N 442.471 4.667 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1ccc(OC(=O)c2ccccc2)cc1 1866003199 OSIKYTXOJAWZPG-UHFFFAOYSA-N 440.434 4.569 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)n(-c2ccccc2)n1 1870001448 FGAJAHDKUIIPQZ-QGZVFWFLSA-N 437.931 4.505 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)/C=C/c1ccccc1Cl 1870106427 LQQRMWWHDTUXKV-SOFGYWHQSA-N 432.698 4.810 30 10 IJEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CSc2ccccn2)cc1=O 1870245799 FMUJWEBFTUHLHY-HSZRJFAPSA-N 447.604 4.938 30 10 IJEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCC[C@H](C)C2)cc1 1870350543 KSVPYGFWOZSGPI-QFIPXVFZSA-N 441.575 4.888 30 10 IJEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CNc1ccc(C)c(C)c1 1870832326 DZKRSNLDGOPSTN-NRFANRHFSA-N 445.563 4.519 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1870901836 SFDGXQDVPHIVKO-UHFFFAOYSA-N 446.547 4.810 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 1871390634 GNGHXJASIBUPLC-HMAPJEAMSA-N 443.455 4.931 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871851082 PAIXQMRKHCKDFL-JOCHJYFZSA-N 428.554 4.566 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 1871948633 GLTLIGSZZSLLLP-SFHVURJKSA-N 427.353 4.587 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872231118 ORZUQDQHNCHORK-FQEVSTJZSA-N 434.989 4.941 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(F)cc1 1872427664 LSQQUZIYIWJFKI-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872521261 GSYMIQZBOKJJKC-KSFYIVLOSA-N 432.561 4.673 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NS(=O)(=O)c1cc(C)c(C)cc1OC 1872613145 LXLLDAJIDXZHNU-FQEVSTJZSA-N 440.650 4.626 30 10 IJEE COc1cccc(-c2csc([C@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)c1 1872762249 HFMCSRVBMJAIIP-OAQYLSRUSA-N 447.560 4.985 30 10 IJEE CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)n1 1872774650 YEKYNYLJBOVUJR-SFHVURJKSA-N 433.464 4.696 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873646309 FVMHLSIOZIHFPW-HDICACEKSA-N 447.583 4.781 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873665500 HFJGAAIBLAGNAV-GJZGRUSLSA-N 425.483 4.630 30 10 IJEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874283027 LZRRMUBFFRFPHG-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2/N=C/c2ccc(Cl)cc2)CC1 1874285179 SMADARIKDGPSQX-ZMOGYAJESA-N 434.009 4.855 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)cc1 1874301594 HFPSSBYZADXBGL-JVWAILMASA-N 447.539 4.976 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2cccnc2)c1 1874406743 RKLWTAINKSWJLQ-WGOQTCKBSA-N 448.596 4.717 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc(OC)c1O 1874509594 KRRKXNRXVZPVDW-FOKLQQMPSA-N 434.924 4.912 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1c(F)cccc1Cl 1874518157 FEYGXNRYSKQGFT-BHGWPJFGSA-N 443.935 4.869 30 10 IJEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874524748 DGXVNWVOJLCDPV-HYARGMPZSA-N 425.514 4.712 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(C)nnc1SCC(=O)Nc1ccccc1F 1874528556 PRZNTXGHWGYEMP-DHRITJCHSA-N 449.511 4.500 30 10 IJEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Br)cc1 1874574331 HSQJGWYKYBSWPT-WEVVVXLNSA-N 436.733 4.904 30 10 IJEE O=C(Cc1cc(C(F)(F)F)ccc1F)NCC#CCOc1cccc(C(F)(F)F)c1 1891023838 LRMAUKBAZZZXRW-UHFFFAOYSA-N 433.323 4.604 30 10 IJEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)C2)c1 1891444645 AGSXWKDLHVHVRW-IBGZPJMESA-N 437.421 4.933 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1I 1914544800 WVHIUAJKSKUWBT-UHFFFAOYSA-N 444.099 4.874 30 10 IJEE C=CCOc1ccc(CNCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1960164094 RMOZTPHNCNOQQY-UHFFFAOYSA-N 428.532 4.880 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCC(C#N)CC1 1984689785 BENSTZZGPDETCZ-BRVOVERQSA-N 445.563 4.748 30 10 IJEE CN(C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C)[C@H](CC#N)C(F)(F)F 1985172022 AONSGZYJMRWCET-QGZVFWFLSA-N 427.467 4.507 30 10 IJEE CN[C@H](CC#CC1CCCCC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2032521607 ZZEDVOVOPHRMRC-SQHAQQRYSA-N 439.644 4.718 30 10 IJEE Cc1nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c(I)c1C#N 2079933080 GKNXYULQLOPIKK-CQSZACIVSA-N 449.189 4.825 30 10 IJEE CC[C@H](c1ccc(OC)c(F)c1)n1nc(C2CCC2)c(C#N)c1I 2080103857 NBNNAZCGJNEUJR-OAHLLOKOSA-N 439.272 4.774 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(F)cc3C(F)(F)F)nc12 2081247706 GFPGUOQTGLNSID-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCOCCC1(F)F 2097095833 MDOXHDRDHPYLNQ-KRWDZBQOSA-N 431.277 4.899 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCCC 2159126609 WTXOFFBCGPTACQ-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1c1ccc(C#N)cc1Br 2174810840 QUWZWODGKYMYMX-KRWDZBQOSA-N 448.283 4.747 30 10 IJEE C[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1cscc1B1OC(C)(C)C(C)(C)O1 2186627280 HMXIDODJSLZSGM-SECBINFHSA-N 432.203 4.907 30 10 IJEE C=CCC1(Oc2cc(OC)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2202465913 LTDGPUIWRQDRRZ-UHFFFAOYSA-N 441.366 4.765 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C12CCC(CC1)CN2C(=O)OC(C)(C)C 2235749657 MDZITMAMQKPQFC-COFLGROHSA-N 433.390 4.568 30 10 IJEE CN(Cc1cccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1)C(=O)OC(C)(C)C 2267112611 JKDNBFGFCZYNKQ-HDICACEKSA-N 444.381 4.864 30 10 IJEE CC(C)c1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 2296136132 QQEIPOQGYBWRJJ-QHCPKHFHSA-N 429.520 4.519 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)C#Cc3ccc(Br)cc3)C2)C1 2296225352 UJFNDLDHMDIFRH-UHFFFAOYSA-N 432.358 4.797 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2296227898 UEDBERXTNSXDSD-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC1(C)CN(C(=O)OC(C)(C)C)C1 2296292248 WQSUPXAFMGXUKY-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2296299054 QNPBYYVNQIWQCJ-NSISKUIASA-N 435.406 4.672 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@H](N)C#Cc2ccc(Br)cc2)cn1 2296302920 PJIAIIQPIUVLLW-GOSISDBHSA-N 430.346 4.657 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C(C)C 2296303955 AOQVEXWOJCQKAW-NNMXDRDESA-N 435.406 4.718 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2296308217 FIEAWCBALGGKLY-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CC1(C)C 2296308301 GEDCMVZKVFNUMW-PGRDOPGGSA-N 435.406 4.862 30 10 IJEE CCCCSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccco3)[C@H]2c2ccccc2)s1 2296347536 PYOBVJKRFMISNQ-MRXNPFEDSA-N 441.534 4.650 30 10 IJEE CCOc1ccc(C=C2SC(=Nc3ccc(C(=O)OC)cc3)N(C)C2=O)c(OCC)c1 2296390121 OTVHFNMNVZWDBK-UHFFFAOYSA-N 440.521 4.504 30 10 IJEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2321185109 JEGNFJXRVJDZHI-UHFFFAOYSA-N 435.336 4.839 30 10 IJEE Cc1cc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccco2)ccc1F 2322634816 PIXIARONNRXXCM-UHFFFAOYSA-N 427.859 4.972 30 10 IJEE COc1ccc(NN=Cc2cc(Br)c(OC)c(Br)c2OC)cc1 2323072509 UMAWNQSHGSTDRA-UHFFFAOYSA-N 444.123 4.683 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 2323379874 ZFYMBJMSWLIIAD-UHFFFAOYSA-N 434.404 4.987 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc([N+](=O)[O-])c1OCCO 2324582592 QBUKVTIGMVVUJR-UHFFFAOYSA-N 427.497 4.867 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c(OC)c1OC 2324853103 UMCNWYDXRDKVQV-KRWDZBQOSA-N 438.480 4.865 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc(OCc3ccc(C(=O)OC)o3)c2C)C1=O 2325381766 CRNPSFPEGNEWFH-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2325511838 ZQODGPVNUMVSGZ-UHFFFAOYSA-N 444.532 4.657 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2cccn2C)cc1 2328572650 BIZYABVHNHKUEL-UHFFFAOYSA-N 445.592 4.893 30 10 IJEE Cc1cccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(O)cc2O)c1 2330346510 RNQSARRQVCVHQY-UHFFFAOYSA-N 436.562 4.825 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccc(Cl)c1 2330603568 GKJONPMEPFJQID-UHFFFAOYSA-N 434.974 4.834 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1cnccn1 2330973770 CAKCEEPBIFQJGK-UHFFFAOYSA-N 438.867 4.653 30 10 IJEE CCCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1cccc(F)c1 2331259341 RHIXZDJXEIQJKM-UHFFFAOYSA-N 428.533 4.569 30 10 IJEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331396540 LOYGQBUKJCOEDZ-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1COc1cc(Br)cnc1C#N 2358967636 YQWIOTCARLWTAP-LXZKKBNFSA-N 436.350 4.663 30 10 IJEE Cc1cc(CN(C)C[C@H]2CCCCN2Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369737473 KJSDHGURCXLOST-AREMUKBSSA-N 448.460 4.781 30 10 IJEE Cc1ccccc1CN1C(=O)/C(=N\NC(=S)Nc2c(C)cccc2C)c2ccccc21 3041707 AHUBDDXUXJYMJK-VYIQYICTSA-N 428.561 4.849 30 10 IJEE O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1nccs1 21722752 KZCOELMAWXJVJJ-NRFANRHFSA-N 436.562 4.824 30 10 IJEE C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nc2sc3c(c2c1=O)CCC3 31612752 XORWTXJMDCAUJA-UHFFFAOYSA-N 436.562 4.783 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(F)c2)Nc2cccc(SC)c2)c1C 32972101 NXMSAGAFJLFCNV-UHFFFAOYSA-N 439.560 4.779 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)c(OC)c1 34954716 UWMHXTVOFRYTSG-QCDXTXTGSA-N 436.435 4.967 30 10 IJEE Cc1cc(C)c[n+](C2=C(Nc3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1 40963469 XXTYGXXVDYBKGG-UHFFFAOYSA-O 434.313 4.713 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)OCC)c1C 96512402 RKLUJGYZZNHKNP-UHFFFAOYSA-N 441.427 4.847 30 10 IJEE CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCC#N)c2ccc(C)c(C)c2)ccc1Cl 98078933 QIYMBMKRTDYOKF-UHFFFAOYSA-N 447.988 4.548 30 10 IJEE CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/c1cc(Cl)ccc1Cl 100261356 IZGWGEJMTILDKV-CVIUTVQRSA-N 426.300 4.723 30 10 IJEE CC(C)c1ccc([C@@H]2/C(=C(O)/C=C\c3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 102910942 LZYQBJCMYUSPSN-PHFKUORUSA-N 445.519 4.668 30 10 IJEE COc1ccc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)cc1OCc1ccccc1Cl 169936692 LTIATXPZUDRRQA-QFIPXVFZSA-N 442.968 4.796 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)cc2)cc1 169959769 VKNYPCAGZRWQJE-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(O)cc1 169962070 NZOACIQTDIDWFO-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccc(Cl)cc1 170057154 DLZJNFGTGZTOPX-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)cc1 170097205 QHBWFFXBEBZWQI-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccc(OC)c1 170120453 PCVHHLGYBYIEGU-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)cc1C 170141429 VSXLAMOSWUMCAR-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170149537 ZOYKHTUNSANXSZ-HXUWFJFHSA-N 427.928 4.862 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccs1)c1ccc2c(c1)CCCO2 170157468 IDPDTAWATVKIOW-OAQYLSRUSA-N 433.485 4.562 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1cccnc1 170187829 ZULAQGCMYCLISU-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)cc1OC 170221707 YMPJBUCDKDLKKS-NRFANRHFSA-N 435.501 4.544 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1 170240340 QDTSTLDVUBDNQU-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccco2)cc1 170280902 NNTSQZLYSONOOT-QHCPKHFHSA-N 445.471 4.957 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccco1)c1ccc(Br)cc1 170282309 LMCFXSBKLFHAHI-GOSISDBHSA-N 442.240 4.964 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)c1 170296151 SFMOPABGPAWJFC-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE CC(C)(C)C#CCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 300728938 FBHBIEVMPGEYRA-QFIPXVFZSA-N 437.561 4.761 30 10 IJEE N#C[C@@H](c1ccccc1I)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 309699828 AEPRIMXSGUCRHZ-SJLPKXTDSA-N 446.288 4.557 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 460372975 YREGJCYQVPJMFT-JXFKEZNVSA-N 426.952 4.723 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 475558634 KORZORIUOMEHIZ-QHCPKHFHSA-N 425.548 4.873 30 10 IJEE CC1(C#N)CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)CC1 505019703 WGPJRJUGTIZKSC-UHFFFAOYSA-N 431.920 4.721 30 10 IJEE COc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1OCc1ccc2ccccc2n1 506919120 UOVIQZGZKWKGDB-UHFFFAOYSA-N 430.508 4.980 30 10 IJEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508880483 LDWUOTHORSHRFO-INIZCTEOSA-N 449.584 4.712 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)cc2OC)c1 526488054 CYEFAYKIGZEYKS-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(Sc2ccccc2)C1=O 526657354 PYIVORUUOBTGMV-UHFFFAOYSA-N 441.512 4.946 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(C4CCOCC4)CC3)n2Cc2cccs2)cc1 549965789 ZYYODNIAQINSFH-UHFFFAOYSA-N 433.581 4.570 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CSCc1ccc(Br)cc1F 553415500 LKUJDAGRRWJDPK-UHFFFAOYSA-N 442.350 4.512 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 555240339 LBXJENPQVJCSOR-SJORKVTESA-N 431.378 4.537 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](COCc2ccccc2)C1 579737558 NSHCDFVBBQHQQS-ZJSXRUAMSA-N 430.552 4.574 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N3C[C@@H](C)C[C@@H](C)C3)C2)c1 585967854 UXFLNBKZYFHRGY-ZRCGQRJVSA-N 440.632 4.816 30 10 IJEE C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC)c1 726412767 QCGVASKBKWTZNY-SFHVURJKSA-N 445.466 4.667 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCC(=O)N1CCOc2ccccc21 730280147 KTYMZMRJAGMFDO-UHFFFAOYSA-N 441.487 4.803 30 10 IJEE N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)CCN1C1CC1 732650893 LKMXGCDQCIJDTH-PHKMIBKXSA-N 438.531 4.517 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1 733201067 JHRFGCBVYCCRDF-GOSISDBHSA-N 447.894 4.602 30 10 IJEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739594307 IBUHMUHAZDGDLW-UHFFFAOYSA-N 443.576 4.743 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)C(C)C)c1 739627254 KAPOKZMZXIMNKQ-QGZVFWFLSA-N 434.989 4.743 30 10 IJEE Cc1nc2ccccc2n1CCCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740034350 CSLOARAOEAWHQU-UHFFFAOYSA-N 429.549 4.834 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 741638385 BFMQPEMWEUYAOM-UHFFFAOYSA-N 425.891 4.783 30 10 IJEE C#C[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 774264081 MCRNDGPEQYXOIG-KSSFIOAISA-N 445.466 4.687 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2csc(-c3cccc4ccccc34)n2)c1 777946722 KXKCVMQFIWTHSY-UHFFFAOYSA-N 425.513 4.655 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(N(C)c2ccccc2)nc1 779197385 SIEWTWAQGUUVDT-JOCHJYFZSA-N 426.520 4.935 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 780672838 KBDQAZYVFWWKGS-LPHOPBHVSA-N 439.516 4.583 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@@H]1C[C@@H]1c1ccccc1Cl 920371920 XPLZLEIXDXFLAI-RBUKOAKNSA-N 432.977 4.501 30 10 IJEE C=CCN(Cc1cccs1)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1124443309 ZYIZAZVIWWEUAA-AQTBWJFISA-N 446.594 4.693 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1 1125749055 XHSACCMMBWTJTK-XMMPIXPASA-N 429.516 4.820 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 1126159981 JFWOSCXPMQVEJX-UHFFFAOYSA-N 425.891 4.648 30 10 IJEE C=CC(C)(C)C(=O)Nc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc(Cl)c1Cl 1131832714 MDNSDMVFOWAWLL-HNNXBMFYSA-N 428.404 4.850 30 10 IJEE C=CC1(CC(=O)N2C[C@@H]3CC[C@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 1133562030 LSJVVVADOFSCLW-SZPZYZBQSA-N 445.648 4.588 30 10 IJEE C#CCN(C(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1)[C@H]1CCCc2ccccc21 1134093122 LYRYOBJTSURUAF-FQEVSTJZSA-N 432.545 4.980 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(F)cc1OC(F)F 1138003246 PFWSYSMFSXNABG-CQSZACIVSA-N 431.414 4.669 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[C@@H](c2nccn2C)C(F)(F)F)cc1 1143100886 ADHKGHDWAQFEMZ-KRWDZBQOSA-N 444.413 4.767 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1143475081 YXFPPMHMLHZHTQ-MOPGFXCFSA-N 440.943 4.629 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)C1 1143653442 ZMKMETLKJLQNEP-OAQYLSRUSA-N 438.593 4.515 30 10 IJEE CN(C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1)C(=O)OC(C)(C)C 1162237828 AZSWOVPGEIQRJD-ZDUSSCGKSA-N 426.330 4.543 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CCCC1(C)C 1216317600 GVKHLJRQHSZURE-HXUWFJFHSA-N 428.577 4.973 30 10 IJEE C#Cc1cncc(C(=O)N(Cc2ccc(Br)cc2)c2ccc(NC(C)=O)cc2)c1 1264954769 KBQBDAYEAVKETL-UHFFFAOYSA-N 448.320 4.631 30 10 IJEE C#C[C@H](NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccc(Cl)cc1F 1275497860 JQKXTEMJMNUFCA-VQTJNVASSA-N 449.751 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1c(C)noc1C 1286551187 GTAPKKFCRWHJAV-RXVVDRJESA-N 441.963 4.821 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C(C)C 1286686401 FKQWNUZOLHKZTL-OAQYLSRUSA-N 434.588 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nnc(C)s1 1286717381 WDAZEFSYBZQHHE-UHFFFAOYSA-N 430.990 4.838 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@](C)(OC)C1CC1 1286730865 QNVYCEXJIJZDLG-FQEVSTJZSA-N 425.360 4.601 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1cc(C)cc(OC)c1 1286750355 YUCHNQLYSUEGJQ-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1286832372 SGEQLPLEDKKPCX-JOCHJYFZSA-N 441.689 4.887 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C)ccc1Cl 1287447253 PFQZUZKZSRDKFC-FZKQIMNGSA-N 439.364 4.513 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(Cc2c(C)nc3cc(C)ccn23)CC1)c1ccccc1 1290232617 MIJRHFNYIHROLY-XMMPIXPASA-N 430.596 4.735 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)C1)OC 1291941489 GIDJLCJHPIGOCW-UTKZUKDTSA-N 427.618 4.600 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1300365963 CJLGNLOHXMTREE-JOCHJYFZSA-N 447.652 4.926 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2nccs2)CC1 1300377041 RDKLEOLFCZGNFH-WOJBJXKFSA-N 441.645 4.841 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1300512383 PIMJKLFNEPUKRI-SCTDSRPQSA-N 448.464 4.924 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCC(F)(F)F 1300605083 XAARNUKIEZNMDP-UHFFFAOYSA-N 433.247 4.649 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1nnc(C)s1 1300609880 YTHDMYSHZSKCDZ-UHFFFAOYSA-N 435.384 4.504 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCC)C1 1300742918 WAZMGZPAHDFLLC-OAQYLSRUSA-N 426.630 4.614 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1300742993 YKJVWFFIUYZLJY-PMACEKPBSA-N 445.032 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1cc(Cl)ccc1OC(F)F 1300800189 NRZMOONRAGYVJW-OAQYLSRUSA-N 431.874 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC1(CCOC)CCCC1 1300808057 IDDDWRJELSEZHL-XMMPIXPASA-N 442.554 4.736 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1301023842 JSRUPWLHBKIRGE-GOEBONIOSA-N 439.785 4.772 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCCC[C@@H]2C)CC1 1301113839 HYDQBKCBAJYZIK-NRFANRHFSA-N 432.616 4.874 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCC(C)C)cc2)CC1 1301129081 GQDHCJWBLCEGMB-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2CCCC[C@H]2C1 1301208601 ZNVMKYYGRFQDRC-IBGZPJMESA-N 444.421 4.657 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCN1CCCCCC1 1301339340 MUEJZFJLPMHVFK-UHFFFAOYSA-N 434.632 4.807 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CCC(=O)N1CCCCCC1 1301340412 HDYSHZAKNULVND-OAQYLSRUSA-N 448.615 4.649 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2CC[C@H](C)N2CCCCC2)cc1 1304431300 FNUWMXASLHZWTQ-SFTDATJTSA-N 440.661 4.739 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F 1306579789 IFNLLOCWERVCNM-CQSZACIVSA-N 427.496 4.607 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)cc1 1309063458 KMTXSPSYAVZKIQ-NHCUHLMSSA-N 426.626 4.762 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCc2ccccc21 1311813796 UHUIYQOMTYPYBD-UNWVZKJWSA-N 439.600 4.744 30 10 IJEE O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 1312297760 DHHSGHFPPIGXSI-RDJZCZTQSA-N 438.343 4.569 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1)c1ccccc1 1312333997 GEAPKPVEJYQITK-XUZZJYLKSA-N 437.559 4.961 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccco1)c1ccc(Br)cc1 1312880300 XABWROWBLTZPLM-CTNGQTDRSA-N 439.309 4.814 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CC[C@@H](C)C2)ccc1OC(C)C 1315291507 HKRFTHJYBBPBOP-QRVBRYPASA-N 425.577 4.773 30 10 IJEE COc1cccc(N2CCC(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)c1 1318648476 HGMNBMKIHNQYNC-UHFFFAOYSA-N 446.576 4.764 30 10 IJEE Cc1nc(-c2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2)cs1 1349013428 FBLSBRXFGCSTBH-UHFFFAOYSA-N 428.311 4.770 30 10 IJEE CCc1c(Br)cc(C(=O)Nc2ccc(OCC#N)cc2)cc1Br 1349217146 FKUJOVHKWAXWMP-UHFFFAOYSA-N 438.119 4.929 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 1352800589 QPIHAAPUBUDAHA-IBGZPJMESA-N 443.341 4.659 30 10 IJEE C=CC[C@@]1(C(=O)Oc2cccc(OCC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1352970438 RUESVHHQZVMPFB-FQEVSTJZSA-N 429.435 4.879 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1355927476 HJHGGUAISGMIDI-HXUWFJFHSA-N 433.335 4.730 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](C)N1CCCCC1 1358878451 WVCBMMCPBLGAJT-WOJBJXKFSA-N 439.673 4.998 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1358922273 YYNGAZHFLYBPMV-RTBURBONSA-N 432.515 4.600 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1358924460 XBPYQMYRHXQBIF-QHCPKHFHSA-N 430.980 4.662 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1Cc1coc(-c2cccs2)n1 1358989176 SCPADVKBNLWLFJ-UHFFFAOYSA-N 441.560 4.735 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(CC)CC 1359092695 DTEIVFOENOQMPX-AUSIDOKSSA-N 436.556 4.945 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1359097653 RMHQPIFAOPEJGU-NRJQMVOHSA-N 439.510 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1359109872 SDCQNNPYCOXJIU-OYRHEFFESA-N 425.621 4.724 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359117808 UNVPNTVUDIGDHZ-IEBWSBKVSA-N 430.980 4.779 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1359155466 YXDARDZYVAACMK-FQEVSTJZSA-N 437.931 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1359184952 GSMPMLIXXQYSSY-LJQANCHMSA-N 427.593 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1Cc2ccoc2CC(C)(C)C1 1359190922 IEWDLUPRMOSUNE-UHFFFAOYSA-N 436.604 4.924 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1359195219 IZWCUEPEMUEGCN-JYFHCDHNSA-N 426.568 4.754 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(NC(=O)CCC)cc1 1359245499 RHPGCDZLXPXLDH-IFMALSPDSA-N 439.604 4.606 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)c1nc(C)cs1)C1CC1 1359253944 ZKPIEMNCTHHUFJ-HNNXBMFYSA-N 427.549 4.720 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359339438 FRPOZYXEVCWSGJ-UHFFFAOYSA-N 438.519 4.521 30 10 IJEE Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1359925582 HYNVEFGJYZEWIW-IBGZPJMESA-N 445.542 4.954 30 10 IJEE COc1ccc(-c2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c(F)c2)c(F)c1 1435078039 FNDZCVKBKGKOKH-UHFFFAOYSA-N 449.501 4.716 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)cc1OC 1448065105 CZGFCBGSBRZWNY-BUVUWQSRSA-N 431.536 4.562 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1449783346 FVBWXIKOHXXUDF-XMMPIXPASA-N 426.582 4.670 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1462185088 SDZHADUJCWDTTN-FQEVSTJZSA-N 426.435 4.716 30 10 IJEE C=CCC[C@@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 1466281244 DPLPVFIPZKWLCQ-OAQYLSRUSA-N 445.485 4.597 30 10 IJEE C#CCCCNC(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1467786273 JNDHATQQUDTDGB-HSZRJFAPSA-N 436.939 4.566 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1470490605 MCNACYOSZJYXAK-YUMYIRISSA-N 427.589 4.651 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1cccc(OC)c1 1472999469 SEQFCMSFKOCSSG-MSOLQXFVSA-N 448.592 4.988 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)N(C)C 1478673811 IRUXTWGUALOQSR-NJYVYQBISA-N 442.431 4.825 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1478916535 YITKJINJGYYHMW-JOCHJYFZSA-N 446.551 4.622 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C#N 1505158864 CGMSCHIPCMYMJA-KRWDZBQOSA-N 429.634 4.892 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CCC 1507678736 CDMQVQIEPFCKBG-PKTZIBPZSA-N 437.632 4.759 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccsc1 1507759902 PLDITVQEFVLJOQ-VAMGGRTRSA-N 444.670 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@H](F)C1 1507817477 JFDWGZOZJSCQED-AEFFLSMTSA-N 432.540 4.512 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC(C)C)C1CC1 1507829608 FSQNJRUSPKORLO-IBGZPJMESA-N 431.625 4.984 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1C 1507872277 CIWHXELCLOCXNG-KRWDZBQOSA-N 435.956 4.640 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCC(OC)CC2)CC1 1507876346 CTXLXCJEDBWAHF-UHFFFAOYSA-N 437.588 4.509 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2noc(CC)n2)CC1 1507896361 DAIKIMXSKMLMNE-UHFFFAOYSA-N 447.370 4.842 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H](OC)C(C)(C)C)CC1 1507909464 GLTMIWHFASHTRD-JOCHJYFZSA-N 442.604 4.719 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCC(C)(C)C2)CC1 1507909835 UOBVNBOYWJMJFS-FGZHOGPDSA-N 443.680 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC(C)(OC)C1 1507911145 HTEQKYXUIHHERF-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](CCOC)C1 1507912753 UBCZEGXZKXGYEK-IBGZPJMESA-N 434.588 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507922641 DEFPYNRTFMBLLH-QFIPXVFZSA-N 433.604 4.521 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCCC1 1508007814 IMQRQWXVFBGGLY-UHFFFAOYSA-N 444.551 4.706 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCC[C@H]1C 1508014796 DSRPBJAEZWJPTI-RTBURBONSA-N 425.646 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1508019891 JZUWABMRBGNKAO-DEOSSOPVSA-N 437.607 4.984 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@H]1C[C@H]1C 1509301931 FKOIBPCKOFWNHU-AQNXPRMDSA-N 444.624 4.740 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1512073696 GEDUWZCWEAGKIB-HXJXPZHGSA-N 434.632 4.952 30 10 IJEE C#CCSc1ccc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 1516447143 RROWNXVRGRCSGR-UHFFFAOYSA-N 448.993 4.895 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)C[C@@H](C)O[C@@H]2C 1517271050 RWXGXQYAVOCTOX-HUUCEWRRSA-N 425.550 4.888 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)CCCC1(C)C 1524687767 AZYWAFJFSOCMRF-SIKLNZKXSA-N 432.630 4.765 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)cc1 1535302790 NCQUQZVULRBPPE-HSZRJFAPSA-N 436.552 4.615 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1535364778 HRVNAPKWWFHJRN-JTHBVZDNSA-N 442.600 4.822 30 10 IJEE CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1F 1538176566 AVVVFQKQBOMCBN-LHSJRXKWSA-N 448.325 4.871 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccccc1OC 1538984197 CZWFCWARXUZYLH-QZTJIDSGSA-N 434.609 4.841 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1539498339 SKIBMKWBVNDXPJ-QGZVFWFLSA-N 444.004 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC(C)(C)c1ccc2c(c1)OCCO2 1539557246 NXOMSJMLRZQSOI-AREMUKBSSA-N 436.600 4.608 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(C)C)CC1 1539578642 AYZKPPVJWMVOMU-FQEVSTJZSA-N 446.437 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H](O)C1 1539656071 SNYZEGHVQDVMLK-LPHOPBHVSA-N 433.394 4.661 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1539774868 FXYJRYYODSUUCC-CQSZACIVSA-N 448.329 4.921 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCCS1 1540059030 LTCPXSAHPMDDQE-HNNXBMFYSA-N 437.407 4.624 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CCc1nc2c(s1)CCCC2 1540120488 LRJOUOHPHQMSHP-UHFFFAOYSA-N 437.613 4.620 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCc1ccc2c(c1)OCCO2 1540139232 ASFMNZLVLPLTPA-UHFFFAOYSA-N 438.597 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(C)c(OC)c1 1540142178 JIBVILMGPPUJDF-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CCN(C(=O)OC(C)(C)C)C1CC1 1540162740 RKYFDLBLAYFGQN-UHFFFAOYSA-N 437.588 4.831 30 10 IJEE C#CCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)C[C@@H](C)C2 1540364336 JYALRYUSADWWJD-KAKMCVKYSA-N 426.516 4.738 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1540854503 LUZBGFJSDKJISF-RDJZCZTQSA-N 426.362 4.615 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1cccs1 1540857599 HHRCHFDEITZCFN-IRXDYDNUSA-N 431.606 4.838 30 10 IJEE CC(C)(O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(CC#N)CC1 1541247605 GHTOVAHQVAZZPM-UHFFFAOYSA-N 439.560 4.714 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CCc2scnc2C)c1C 1542029560 HUYXDCNRCLIXBA-LPHOPBHVSA-N 438.601 4.781 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)OC 1545282326 FSLUBXFBSINMFT-IPELMVKDSA-N 435.494 4.657 30 10 IJEE CO[C@](C)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1554578648 ATAKIOCKVFUKFQ-FGZHOGPDSA-N 431.943 4.683 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1556330322 UIMXWRHXBLBFMG-UHFFFAOYSA-N 436.556 4.510 30 10 IJEE C=CCC1(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)CCCC1 1556586686 AOCUYFMYGSWDQV-UHFFFAOYSA-N 430.545 4.801 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1)C(=O)OCC 1556642545 PCBRRWUCNNUULA-XMMPIXPASA-N 445.563 4.843 30 10 IJEE C=CCCONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1557717324 JVTDBHFBQRROSO-UHFFFAOYSA-N 449.363 4.957 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(O)CCCc3ccccc32)cc1OCC 1560325851 ANYNMCPNHBBEFH-HSZRJFAPSA-N 446.385 4.726 30 10 IJEE C#C[C@H](NCc1cc(OC)c(Br)cc1F)c1ccc(Br)cc1 1560855407 YLHMQTGAUYJKJG-INIZCTEOSA-N 427.111 4.823 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1562184240 QDCFRQBVZBFBCZ-OAHLLOKOSA-N 436.434 4.640 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2NCc2cccnc2)cc1 1583418525 PGYFJRGTUVOBDF-UHFFFAOYSA-N 426.520 4.760 30 10 IJEE C=C[C@H](OC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccccc1 1587278752 GFZMRMDOHFMPKA-OGBKAESYSA-N 427.522 4.888 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)C(F)(F)F)cc1 1587315617 SOCIBJIWAZREAJ-NRFANRHFSA-N 429.438 4.935 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC1CC(F)(F)C1 1589505373 LWFYHLUOGWHEIK-RTWAWAEBSA-N 430.543 4.970 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCC(C(F)(F)F)CC2)CC1 1594191941 AXVRMPGHYIFATA-IPJUCJBFSA-N 444.542 4.773 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccnc(C(F)(F)F)c2)CC1 1594226254 JKDOGFPPMJAOHO-UHFFFAOYSA-N 443.473 4.818 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1594792914 AKIUJTCARCLKFJ-QHCPKHFHSA-N 437.632 4.510 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOc2ccccc21 1594907274 RHSZPHMPWKBPME-CQSZACIVSA-N 445.386 4.958 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1595184775 BIFAQJCRQNZSSN-KRWDZBQOSA-N 435.597 4.762 30 10 IJEE C#CCNC(=O)[C@@H](C)SC1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 1613122737 AXDAYMDSZUDOLA-KMYAOZERSA-N 445.588 4.733 30 10 IJEE C=CCn1c(S[C@H](CC(C)C)C(=O)OCC)nnc1-c1ccc(Br)cc1 1613308413 ZQYIWPGFDIABQQ-MRXNPFEDSA-N 438.391 4.964 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1 1615021728 CKWVFPKNCFWOET-UHFFFAOYSA-N 430.556 4.675 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@]2(C)Cc2cccc3ccccc23)c1 1620444372 AXIGQEQVAYDYDO-HHHXNRCGSA-N 425.532 4.566 30 10 IJEE C#C[C@@H](NC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1F 1623825805 PSAPCZAVULFQKG-HXUWFJFHSA-N 428.891 4.834 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 1625190603 ZIPSUHWTUNSCDB-SFTDATJTSA-N 426.944 4.852 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCS[C@H](C(F)(F)F)C1 1625542726 PAXCRIBKDRJDGL-ZDUSSCGKSA-N 425.270 4.526 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3cc(Cl)ccc3OC(F)F)n[nH]2)c1C 1631917894 YEPLLSKDZKYUKR-LLVKDONJSA-N 449.889 4.822 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 1633625186 GJJYPMMUVJJCPF-HZAQMHFWSA-N 436.618 4.922 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633894972 MXYAOKBJPLNNOW-XHCCPWGMSA-N 430.548 4.566 30 10 IJEE Cc1ccccc1C(NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccccc1C 1634070628 BDOVGFYRNQSIMQ-UHFFFAOYSA-N 442.538 4.935 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1636098375 HATRFGGSUILPLK-BWKNWUBXSA-N 427.589 4.606 30 10 IJEE C#CCC1(O)CCN(C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 1636660728 ORDOONQVGVFYPB-UHFFFAOYSA-N 428.488 4.657 30 10 IJEE C=CCn1c(SCc2cccnc2[N+](=O)[O-])nc2cc(-c3ccccc3)sc2c1=O 1640771669 GQFGFJRWTRAAKZ-UHFFFAOYSA-N 436.518 4.907 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1nc2ccc([N+](=O)[O-])cc2[nH]1 1642008608 KFRUGFYHJVWNIE-UHFFFAOYSA-N 442.888 4.632 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4cc(C)cc(C)c4)CC3)ccc2c1=O 1646480853 CYDGFUISHHTEDU-UHFFFAOYSA-N 433.577 4.508 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccccc1CN1CCCCC1 1648722872 TVKXFSSXDRCXCM-UHFFFAOYSA-N 427.386 4.737 30 10 IJEE C#C[C@H](NC(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1)c1ccc(Cl)cc1F 1651011023 NGZTYIFMXBIFSI-IBGZPJMESA-N 427.932 4.684 30 10 IJEE C=CCn1c(S[C@H](C)c2ncc(Br)cn2)nnc1-c1cccc(OC)c1 1651851397 ZQKNTRRHTFGZHV-GFCCVEGCSA-N 432.347 4.546 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CC12CCC(CC1)CC2 1653969432 XHVNNFOPPPEYLN-UHFFFAOYSA-N 430.383 4.876 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1 1655414404 JIKAKNRCEJQJPA-ZDUSSCGKSA-N 426.330 4.591 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c3cccnc23)nnc1-c1ccc(F)cc1 1656065496 UJOSCWUUQQZLSJ-UHFFFAOYSA-N 434.496 4.897 30 10 IJEE CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN1CCN(Cc2ccccc2)[C@H](C#N)C1 1658695040 CFGYXEHFOVZXSL-HSZRJFAPSA-N 448.014 4.918 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(CC(F)F)(C(=O)OCC)CC2)cc1OC 1660887046 QYJNIZARGUAEDD-UHFFFAOYSA-N 431.907 4.714 30 10 IJEE N#CCC1(CS(=O)(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1 1661092450 DWFBILKHVLQGHD-IBGZPJMESA-N 427.957 4.566 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)c1 1666715714 KPWMGOJDAXSJSY-SFHVURJKSA-N 434.561 4.670 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)cc1 1667589833 PFLJMMGIMABUAR-JOCHJYFZSA-N 431.540 4.922 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1667925152 GQXSFTJRCIWKOE-PZJWPPBQSA-N 433.637 4.883 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2F)C2CCCC2)cc1 1673392564 HAQUWXXNYWNYRQ-JOCHJYFZSA-N 445.560 4.685 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)C(C)C 1674145640 NLDDOWIFGPYFQE-PZJWPPBQSA-N 430.662 4.610 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 1677622592 RSHDLAUQKFGHIG-GOSISDBHSA-N 429.358 4.788 30 10 IJEE C=CC[C@@H](CC)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1680640586 PXEWGUHVPLUMDY-HBFSDRIKSA-N 449.567 4.581 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682181589 UBPRSWRBMWQVGO-WOJBJXKFSA-N 433.637 4.883 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CCCC[C@H]3Cc3ccccc3)CC2)nc1 1683928443 ICGPFTWDWTZRGA-UBEQRZCFSA-N 432.568 4.744 30 10 IJEE C[C@H](NC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1)c1cccc(C#N)c1 1684082694 FWDMFCPCWCJTSW-LIRRHRJNSA-N 430.371 4.958 30 10 IJEE Cc1cccc(C)c1OC[C@@H](O)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1686076824 DDZUPQQEADYYGS-CPJSRVTESA-N 443.547 4.642 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](COCC)C1 1689915177 SBLZRLDSVUODNI-IBGZPJMESA-N 435.597 4.653 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1689933772 YNIFXYPUSCNLJQ-XMMPIXPASA-N 433.644 4.539 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC(F)(F)C1 1690037483 WIKYNHMERHCPMF-MRXNPFEDSA-N 447.327 4.606 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](COC)C1 1690352502 GNJGWPAKXTUYIQ-CQSZACIVSA-N 445.778 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690436177 MMUDNAHTVNISBX-QHCPKHFHSA-N 447.631 4.715 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1690510939 JZTJMEVZQHXYBP-FGZHOGPDSA-N 438.616 4.840 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CC1(O)CCCCC1 1690561280 KAVFKTZQSUYPJE-UHFFFAOYSA-N 447.608 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1690590415 YMNBHWFHRXOJRS-UGKGYDQZSA-N 436.629 4.607 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1c(C)coc1C 1690603869 JSRDMPWEORHKQZ-UHFFFAOYSA-N 427.552 4.757 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[C@H]2C[C@H](F)C2)C1 1690685604 AJNQBCLTHMERCG-YSFYHYPLSA-N 442.579 4.954 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1690735682 GBDKCBWRGDJXQS-IAGOWNOFSA-N 433.419 4.862 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)CCO[C@@H]2C2CC2)cc1 1693157352 AHMGCLRHRBTLJA-XANCMCCPSA-N 439.629 4.822 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H]2CCCCO2)cc1 1693166254 IFKSGCXZGNDJFT-YKSBVNFPSA-N 439.629 4.968 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(C#N)o1 1705669011 ZCIMPKFLLKRILF-UQBPGWFLSA-N 429.524 4.540 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1cccc(F)c1)C(C)C 1705686409 YDPPVZQFXUCISL-QGZVFWFLSA-N 437.357 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1705698815 YXMYNIHRBZKGFD-QWIQJREVSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 1705707155 GBCGJIXQDMNKEB-OVQJPPBNSA-N 430.637 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@@H](C)Oc1cccc(Cl)c1 1705708180 YUIXCPQHNFDFQV-QINHECLXSA-N 442.951 4.530 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1705759638 SSSSNFLURPGJRP-MAUKXSAKSA-N 445.753 4.769 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(CC)CCOCC2)CC1 1705762737 GZBYKTMCTYFOBT-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncc(CC)s2)CC1 1705785227 ANPCQNVZCOUVKX-UYAOXDASSA-N 429.634 4.666 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)CCC)CC1 1705800751 IFNYRSLWZJZWCO-UHFFFAOYSA-N 429.996 4.840 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1705804862 QDQKVPULPGMNOG-UHFFFAOYSA-N 432.572 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(OC(F)F)c1 1705837765 NIKMXXOJDHKACW-UHFFFAOYSA-N 427.499 4.910 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1Cc1nccc(C(F)F)n1 1705860566 SUFVRADGILWKTP-UHFFFAOYSA-N 449.509 4.776 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1CC(F)(F)Br 1705877207 YOGCUENFXKGFTC-UHFFFAOYSA-N 447.711 4.677 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2c(F)cccc2SC)C1 1705919334 BTMTUSZORGYKLS-MRXNPFEDSA-N 428.533 4.537 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N 1705941112 ZEDOCDIRUMUFSZ-MRXNPFEDSA-N 438.626 4.892 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2CC(C)(C)C2)cc1OC 1710513832 HYIDCBWNLHYORM-UHFFFAOYSA-N 437.588 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@H]1C 1722501890 RALHJWJEHYOHHI-ZQAYVECASA-N 442.629 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(F)(F)C1 1722505992 QEIRULJCFTWTNO-AWEZNQCLSA-N 442.352 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC(C)C)C(C)C 1722510821 VNNIWOUKVYZPDW-FDDCHVKYSA-N 432.559 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC1(C)C 1722513543 ZHBUHOKMDHLZRK-GOSISDBHSA-N 434.588 4.684 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@]2(CC=CCC2)C1 1722534023 GGMPCXPYERLJIH-HSZRJFAPSA-N 427.618 4.553 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCCOC1 1722546080 FXVLFMFFZWRJOD-HXUWFJFHSA-N 439.991 4.968 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCCCN2CCCC2)CC1 1722564281 MLROPADWADANQN-NRFANRHFSA-N 441.595 4.980 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nc(C(C)C)cs2)CC1 1722584361 ZBJNEQAPQSFQAK-UHFFFAOYSA-N 437.613 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1722585090 QOVPWGSIBQKBAV-WIYYLYMNSA-N 442.629 4.720 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1 1722653635 BKYLELJXNDCLPP-HSZRJFAPSA-N 449.624 4.751 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCCn1nc(C)cc1C 1722665786 HRJLJXIFPNJIQO-UHFFFAOYSA-N 427.556 4.575 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@@H](C)[C@H]1C 1722734300 BFBFVGYHQQHGFD-SJORKVTESA-N 425.627 4.743 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@@H](C)CC#N)cn1 1728380394 HDEAOVYYAHDWLN-SFHVURJKSA-N 443.555 4.719 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CC2(CCOCC2)C1 1740635862 MYLXMBJSOPYLMI-UHFFFAOYSA-N 443.378 4.532 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1CCCCC1 1740674647 OWSAXKYISOIFLC-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC[C@H]1OC 1740724397 BQFMNPQYWNTWLU-LZTCXMBHSA-N 436.600 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN(CC)C(C)C 1740769862 XFNZXHHRTRKJMP-UHFFFAOYSA-N 434.426 4.840 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1740779687 VJEZJTNTZGLUBA-QHCPKHFHSA-N 439.648 4.756 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1740789812 QUGMHFUTOOVLFF-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cn(CCCC)nc2C)CC1 1740836029 FINNWHXJALPRHY-UHFFFAOYSA-N 434.588 4.709 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H](C)N1CCC[C@@H](C)C1 1740914847 LOFDJLRHMJEXHB-VSKRKVRLSA-N 434.632 4.976 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740944649 BYRBEPGITJAJDH-GOSISDBHSA-N 439.604 4.823 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(Cc1cccs1)C1CC1 1740946917 JVHBKKFLJLIHOR-UHFFFAOYSA-N 443.617 4.809 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(OC)C1 1740997113 VDALPEHJGOKTRL-GBXCKJPGSA-N 444.645 4.959 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccnc(C(F)(F)F)c1 1748651735 PQMYYKIHYGGHFU-AWEZNQCLSA-N 425.414 4.611 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1 1748761242 RNWQVGSCZDURRI-UHFFFAOYSA-N 429.298 4.813 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N[C@H](C)CC 1749146933 SFMAMMRACDPMNN-ZWKOTPCHSA-N 443.661 4.839 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1749158089 HKFNRQFXQIMXES-WOJBJXKFSA-N 447.505 4.801 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1Cc1ccccc1 1749174929 HZCPEAFCHFOFGE-IBGZPJMESA-N 440.389 4.834 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H](C)CC 1749215783 FJKSXGXWIGBWDJ-OAHLLOKOSA-N 439.373 4.922 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCOC2(CCCCC2)C1 1749221086 YKJSBKYECLGVHA-UHFFFAOYSA-N 430.980 4.731 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCC1CC(OC(C)(C)C)C1)C1CC1 1749525075 GNOPDULJMBEZHT-UHFFFAOYSA-N 429.634 4.772 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCSC1 1749548908 NTUDSWFULLVSJZ-MRXNPFEDSA-N 441.582 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@H](F)C1 1749553913 WZWYOUJUZZKYMT-RBUKOAKNSA-N 428.581 4.532 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC=C(C)C1)C(C)C 1749557689 LVFQRXFSEUINOB-DEOSSOPVSA-N 430.600 4.672 30 10 IJEE COCCC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CCC1 1749630749 FSBRNDMVKQXUEM-NHCUHLMSSA-N 443.636 4.534 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCC[C@H]21 1749746303 WMAVCVRCPXLGHO-CXAGYDPISA-N 437.382 4.755 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCCCSC 1760105972 WGZKPLUJJSCPAJ-CQSZACIVSA-N 439.398 4.838 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)C[C@H]1CC 1760147430 RAJLXXYYFLDVRZ-JKSUJKDBSA-N 431.378 4.754 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@@H]1C(C)C 1760242117 UCKPICJYFLRYLI-NFBKMPQASA-N 426.580 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F 1760322448 SPRNQBLTBUVYQJ-YJBOKZPZSA-N 428.886 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(Cl)s1 1760339290 CROSEUZTDTUZPU-UHFFFAOYSA-N 441.004 4.877 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1760358942 CIQXYDYAEHZYIH-UHFFFAOYSA-N 426.586 4.705 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)CCC(C)C)CC1 1760399249 FORDWVPRAYLJOU-VWLOTQADSA-N 442.604 4.552 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760423605 GIGPXSOXTUTSKR-UHFFFAOYSA-N 434.588 4.732 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1760428333 UFTRSNHZQOJBSC-SFHVURJKSA-N 429.996 4.873 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C2CC2)CCC1 1760463247 WSDOTEBHYZXCON-SFHVURJKSA-N 429.609 4.595 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccsc1)N(CC)CC 1760469058 SIGIMSVBTZAKLG-NJDAHSKKSA-N 445.677 4.964 30 10 IJEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C1 1763444597 ARLOXPZUTRWIDN-KRWDZBQOSA-N 429.515 4.791 30 10 IJEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccsc2)CC1 1764306555 ACVWKKFADICGFT-UHFFFAOYSA-N 448.640 4.994 30 10 IJEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)C[C@@H]1C 1766986703 HONDLRSGTNWMKA-RBUKOAKNSA-N 448.640 4.775 30 10 IJEE COC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)CCCC1 1768233815 CGNJLFJDXLBUCQ-QUCCMNQESA-N 425.577 4.733 30 10 IJEE CCOc1ccc(/C=C/C(=O)Nc2ncccc2OCc2cccc(C#N)c2)cc1OC 1858754451 YKBWVAXVDMFXHV-ZRDIBKRKSA-N 429.476 4.591 30 10 IJEE CC(=O)Nc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(C)cc2)c1 1859416819 GMDDJLHQDVQCIB-UHFFFAOYSA-N 449.514 4.989 30 10 IJEE Cc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2)cc1C 1860097595 QDNFMUUSIQMCJP-UHFFFAOYSA-N 445.544 4.995 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CSc3nc(-c4cccnc4)cs3)c2C#N)C1 1860811907 UXJIFYVBVPTZIH-GFCCVEGCSA-N 426.592 4.994 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861131238 DDICRLDNYZXJIF-SFZDQAMXSA-N 429.561 4.856 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862474614 PZMJGTWEGRDFHL-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478731 PGYGXUURZYJAAU-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478859 SEBMIEVQVSGDNR-OAQYLSRUSA-N 448.500 4.786 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862479415 GTFSDFZDPXPTPU-QFIPXVFZSA-N 435.520 4.940 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C(C)C)cc(Cl)c1O 1862497040 ABXZIEARKWYEQY-IBGZPJMESA-N 429.900 4.658 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2F)ccc1F 1862502768 INCIEQKHSKTQJI-NRFANRHFSA-N 438.405 4.586 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(=O)OC)cc1 1862549249 LGNJOEOQKSLHRL-WAIKUNEKSA-N 447.531 4.729 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(C)(C)C)cc1 1862630708 ABIAYMWEGKAIDD-JOCHJYFZSA-N 435.520 4.947 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(Cl)cccc1Cl 1862633116 GFLMNRKOKACSLV-IBGZPJMESA-N 448.302 4.956 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 1862672987 JHBGNGAZOKIZQC-QFIPXVFZSA-N 442.506 4.665 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCOc1ccccc1 1862673942 HQUKOEKMNZPDCB-HSZRJFAPSA-N 431.463 4.791 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 1862674634 ZTYMLZREAHKBOR-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 1862748312 XZFOCKHKQNVXPC-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)cc2)C1=O 1862894544 SGYWDSCDBVRIOE-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 1862897521 RKEPUGVUXSPGPI-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccccc2C#N)C1=O 1863083896 XJVXOYQUMHTKRX-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CC[C@H](C(=O)N[C@H](CCSC)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866957547 URYODFMRILALII-VQTJNVASSA-N 429.973 4.582 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccc(F)c2)n(-c2cccc(Cl)c2)n1 1870002678 UUXQYXKFNMHPSR-VAWYXSNFSA-N 437.906 4.890 30 10 IJEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870913571 SQNQRVATWOQBIF-UHFFFAOYSA-N 427.501 4.522 30 10 IJEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2c(c1)OCO2 1871254237 RVDSEVCELJWOSN-UHFFFAOYSA-N 445.519 4.830 30 10 IJEE CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C3=O 1871346510 KCMISXHAPPDJAZ-GRSHGNNSSA-N 439.508 4.589 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1[N+](=O)[O-] 1871363339 BVZCJGZAVFOBFI-JJFYIABZSA-N 448.406 4.635 30 10 IJEE Cc1c(OC(=O)COc2ccccc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871364210 LMWHSYAPJYGFEU-HAHDFKILSA-N 429.472 4.662 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccc(C)cc4)c3C)C2=O)cc1 1871370069 OQGHQHYTSMOWRF-UCQKPKSFSA-N 430.456 4.913 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871940703 JDKHJRIXBHTFJJ-OAHLLOKOSA-N 441.380 4.814 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)CC 1872229325 WGIAANXBZRYANX-QFIPXVFZSA-N 428.598 4.892 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1)S(=O)(=O)C1CC1 1872507390 VYTXJUWKUDGJCB-NRFANRHFSA-N 432.973 4.699 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872570929 ADJKWUKFJRMBDD-CVDCTZTESA-N 428.598 4.842 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCc2nc3ccccc3[nH]2)C1=O 1873160809 BGCBUWYZJFHEQC-UHFFFAOYSA-N 444.579 4.836 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OC(C)C)c2)=C(c2ccccc2Br)C1=O 1873253787 NQDOZKILNYKEHL-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE C=CCSc1nnc(NC(=O)CCCOc2ccc(CC)cc2Br)s1 1873434672 KKJPRKNVNLYQHE-UHFFFAOYSA-N 442.404 4.939 30 10 IJEE N#Cc1cccc(Nc2[nH]c(=NCCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)c1 1873479126 NPMVHTVBAXAVER-UHFFFAOYSA-N 449.493 4.646 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc([N+](=O)[O-])c1C)n2CC(C)C 1873656671 GVNRJWVRZRTKQR-UHFFFAOYSA-N 448.527 4.735 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(F)cc1F 1874237317 BIQADKONZQVGCH-BRJLIKDPSA-N 444.507 4.715 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cc(OC)ccc1OC 1874265111 WISHXYTXFNHWCI-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2cc(OC)ccc2OC)CC1 1874286787 YDFANCHAPFJLSI-LFVJCYFKSA-N 446.617 4.726 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1[C@@H](C)c1ccccc1 1874401358 MDUAFJFDQXDBCG-FZJZADEZSA-N 442.610 4.973 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874457867 LUKBCRNKGWYSAU-WYMPLXKRSA-N 440.491 4.882 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(Cl)cc2)o1 1874466240 DOWXGHACEKFYDD-SSDVNMTOSA-N 442.884 4.746 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C2CC2)cc1 1874516406 WBAYVEIKAXJZKY-MFKUBSTISA-N 449.580 4.730 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)c1C 1874517892 POGAVINMSDQJAO-LGJNPRDNSA-N 444.564 4.867 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)N[C@@H](C)c1ccccc1 1874577046 UCBZEXFZVHMMEM-PIOKWQJESA-N 445.515 4.856 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2OC)cc1OC 1874610290 KZHLKTFEQOPZDN-VAWYXSNFSA-N 431.916 4.501 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OC 1874618575 IRUVZGRPHZOPPB-JXMROGBWSA-N 433.907 4.939 30 10 IJEE CN(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1 1874706141 RDSOPDMRDJWCGL-WUXMJOGZSA-N 429.472 4.639 30 10 IJEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 1912188434 NZHSMALSFWIFHV-HRAATJIYSA-N 436.557 4.853 30 10 IJEE N#Cc1cccc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951418721 OJOAYJUPXPHJCY-LJQANCHMSA-N 426.472 4.655 30 10 IJEE Cc1cc(C#N)cc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951522493 VYYOXZPGMCUHOV-HXUWFJFHSA-N 440.499 4.964 30 10 IJEE CNCc1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079235979 KYAXGDGZZQROGU-UHFFFAOYSA-N 434.153 4.590 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1 2118196889 NTOKJZFAHAIJPV-STQMWFEESA-N 426.330 4.589 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)OC1(C)C 2163712406 AQSIJMYZYOGKPV-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE C#CCC(C)(C)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2173473885 UKSWUYPBMZUQHX-UHFFFAOYSA-N 437.378 4.746 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1 2180050692 KMTAHIHSBBOMPT-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180863775 FHNGZLOQFOAVEM-DVOMOZLQSA-N 436.350 4.541 30 10 IJEE C[C@@H](NC(=O)c1cc(Cl)c(Cl)s1)c1cscc1B1OC(C)(C)C(C)(C)O1 2186628131 OUKNQRHADNNJSA-SECBINFHSA-N 432.203 4.907 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1cccc(Cl)c1 2212455529 XDCCKYLSDWMDMS-HTAPYJJXSA-N 427.928 4.759 30 10 IJEE Cc1cnc(Nc2cccc(NC(=O)OC(C)(C)C)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2224125005 NPVJNFQPGRMGSE-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](N)C#Cc2ccccc2Br)cs1 2227505639 MPHXTGROSNQNEI-WFASDCNBSA-N 436.375 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)CC#C[Si](C)(C)C 2229112311 QINBAYMWXKELGG-KRWDZBQOSA-N 438.438 4.725 30 10 IJEE CC[C@](NC(=O)OC(C)(C)C)([C@@H](C#Cc1ccccc1Br)NC)C(F)(F)F 2235723373 KPNPLHABDFZPEA-QAPCUYQASA-N 449.311 4.624 30 10 IJEE O[C@H](C#Cc1ccccc1Br)c1ccc(Cl)c(I)c1 2268322781 IIYILRHYLVFHBG-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296279577 QLJOOHHZYGCDOA-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2296281936 QHQMZFLVYVCVAY-WIYYLYMNSA-N 439.369 4.518 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2296293886 OBYSGVQSVDHCCE-UZLBHIALSA-N 445.348 4.717 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(N(C)C(=O)OC(C)(C)C)CCCC1 2296294297 SFUOMOSAOQVWHC-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296301388 UFKKNRIUFMMCDV-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 2314477253 DHKVEWXYAFOJNJ-DEOSSOPVSA-N 440.455 4.773 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 2314478885 XSYOSIOSMUVCIK-VWLOTQADSA-N 440.499 4.658 30 10 IJEE CN(C(=O)OC(C)(C)C)C1CC(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317353773 JWANXUNUSJYHAB-UHFFFAOYSA-N 430.354 4.503 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2N=Cc2ccccc2C(F)(F)F)o1 2318582182 ZADHHEHZLQBOCX-UHFFFAOYSA-N 438.431 4.630 30 10 IJEE C[C@H]1Oc2ccc(C(=NOCc3ccc(Br)cc3)C3CC3)cc2N(C)C1=O 2318634029 XXOWQIPLTWSBSH-CYBMUJFWSA-N 429.314 4.524 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 2322474714 BHZDETGRSNRSNQ-UHFFFAOYSA-N 442.899 4.972 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccc(F)cc1 2322485505 PWQZVDGBYVIYTK-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccccc2Cl)cnn1-c1ccc(Br)cc1 2322617207 ARUOFWKUDZHZKW-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4cccnc4)cc(C)c3C1=O)cn2C 2322807633 QCKGRUDPMWDPPU-UHFFFAOYSA-N 440.455 4.726 30 10 IJEE Cn1cc(C=C2Oc3cc(OC(=O)COc4ccccc4)ccc3C2=O)c2ccccc21 2322948469 FTIUEFFVEBMIEF-UHFFFAOYSA-N 425.440 4.779 30 10 IJEE CCc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c([N+](=O)[O-])c2)cc1 2323471506 MNHDFKZUAIZAQM-UHFFFAOYSA-N 437.477 4.527 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OCC(=O)N(CC)CC 2323579946 WFVPKLAEVWYIIL-UHFFFAOYSA-N 425.525 4.546 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1 2324014822 HMSORSGVZHTODF-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE O=C(C=Cc1cc(Br)c(O)c(Br)c1)c1ccc2c(c1)OCCO2 2325792633 JKTLPWKJCVASGS-UHFFFAOYSA-N 440.087 4.585 30 10 IJEE Cc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 2327863594 XTAQDURFPGSAKO-NRFANRHFSA-N 447.608 4.875 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2N=Cc2cccn2C)CC1 2328142870 UYEWHIVQCQYVNK-UHFFFAOYSA-N 444.649 4.581 30 10 IJEE Cc1ccccc1CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccs1 2328998288 AXVUKVFQDILXCN-SFHVURJKSA-N 439.610 4.547 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OC)c(OC)c1 2329740750 AIOWDGADGXENTI-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccco2)c1 2329814521 YDRKALCMZALGRI-UHFFFAOYSA-N 449.511 4.522 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329918068 XDENLZWHJUCBGF-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE COc1cc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)ccc1O 2330390603 LXTXGLRVQCDVMA-UHFFFAOYSA-N 436.562 4.819 30 10 IJEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2330842458 MZTIZEHEBNPZJI-UHFFFAOYSA-N 439.541 4.958 30 10 IJEE CC(C)N(CCCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2339538833 XYHXTCVFWSRRAG-UHFFFAOYSA-N 445.413 4.596 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CCc1ccc(OC)cc1Br)NCC 2364846148 HQIPHFJKKOWENP-RTBURBONSA-N 441.410 4.838 30 10 IJEE Cc1cc(CN[C@H](C)c2cc(Br)cs2)ccc1B1OC(C)(C)C(C)(C)O1 2369711766 MMOMAYOPTPRXPV-CQSZACIVSA-N 436.224 4.969 30 10 IJEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 3041278 XOFTVRYZSJBRQI-QLYXXIJNSA-N 434.952 4.886 30 10 IJEE COC(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 9446722 KKBHBRQNCKKDQC-UHFFFAOYSA-N 431.517 4.515 30 10 IJEE Cc1cc(OCC(=O)NC(=S)Nc2ccccc2C#N)c(C(C)C)cc1Br 12499948 BLTBANGJYBPRAD-UHFFFAOYSA-N 446.370 4.645 30 10 IJEE Cc1cccc(N/C(=N/C(=O)c2ccc(F)cc2)N2CCN(Cc3cccc(F)c3)CC2)c1 32946298 GNDYDCUYNXLTBX-UHFFFAOYSA-N 448.517 4.699 30 10 IJEE CCc1ccccc1N/C(=N\C(=O)c1ccc(C)c(F)c1)NCCc1c(C)nn(CC)c1C 32973342 TVGCKKJSEYZVIS-UHFFFAOYSA-N 449.574 4.970 30 10 IJEE CCc1ccc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 33958961 YLEXFMXMHPMRQP-HZHRSRAPSA-N 440.594 4.603 30 10 IJEE CN(C)S(=O)(=O)c1cccc(-c2csc(N/N=C/c3cccc4ccccc34)n2)c1 33960279 GDEJGUGFRCYIQV-OEAKJJBVSA-N 436.562 4.660 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1OC 34954225 GJODGBQHHCEBHW-XCVCLJGOSA-N 432.428 4.548 30 10 IJEE CCCCCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCOC)c1 35443220 UHKUVUWWNNOOAB-LAUMOQQDSA-N 449.547 4.880 30 10 IJEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 59022915 UEHHKVVDZRRKPV-DSQTZZKQSA-N 426.933 4.690 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1ccc(Cl)cc1Cl 59311248 CXEZJMKHSPAZHC-UHFFFAOYSA-N 427.361 4.964 30 10 IJEE O=C1C[C@H](S/C(=N/c2ccccc2)NCc2ccco2)C(=O)N1c1ccc(Cl)cc1 59489470 IXMSGCBZFOLMJN-IBGZPJMESA-N 439.924 4.776 30 10 IJEE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)[C@@H]1CCCN(CCC#N)C1 62039386 REASAQHCCOCWHQ-LJQANCHMSA-N 439.581 4.718 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccnc1)c1ccc(Br)cc1 96592241 MINKNWHRGQMSJL-LJQANCHMSA-N 435.277 4.627 30 10 IJEE Cc1ccc(C(=O)N2CCN(c3oc(/C=C\c4ccc(Cl)cc4)nc3C#N)CC2)cc1 102887492 OHUADVKJYGBXON-WDZFZDKYSA-N 432.911 4.641 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2O)cc1 169923889 MZDQLABRDDIUTL-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccs2)cc1 169988886 IHQCMZGDAQVSGF-GOSISDBHSA-N 440.546 4.609 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170117142 ANFJFHZCIJGNEZ-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)cc1C 170123876 BDRUWVMOWGNNAD-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1 170155878 MCVONMOMQSIWSZ-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccs2)cc1 170159472 YSXQDMSEXYZMCB-NRFANRHFSA-N 433.485 4.611 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)cc1C 170174437 YYPWWMBXYQIYKC-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(Cc4cccc(C(F)(F)F)c4)CC3=O)n2)cc1 170179920 UGGIKTUCPUEGHY-UHFFFAOYSA-N 429.467 4.850 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccnc2)c1 170185366 SUOCUGSIKQCTBD-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 170233575 FHXFFHMCXNTUJL-DEOSSOPVSA-N 433.548 4.959 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCN(C)C)cc1 170267173 HMSOKNLUGRGJIV-RUZDIDTESA-N 442.559 4.932 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccco2)c1 170287842 LDZDDIQEDIEUPE-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@H]1c1ccc(OC)c(O)c1 170321846 OHTXARBTALIYHF-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170367922 LAGFJJXSWMAEKP-IBGZPJMESA-N 441.892 4.899 30 10 IJEE COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2sccc2C#N)c1 432708840 OALIXJMZLBPBCJ-UHFFFAOYSA-N 429.910 4.858 30 10 IJEE Cc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1OCc1cccc(Cl)c1 443345854 SNWXIGMEXPIOMG-UHFFFAOYSA-N 439.943 4.612 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nnc1-c1cccc(Cl)c1 489647144 PACCLSDSNLXLGZ-CQSZACIVSA-N 444.910 4.678 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)c3c(F)cccc3I)n2)c1 502409461 WVKDEEUBDMIZHD-UHFFFAOYSA-N 449.248 4.678 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 538650993 QVVZGEWUYMCIMM-RBBKRZOGSA-N 435.572 4.534 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 549285632 MOUQFANLCWSVKT-OAHLLOKOSA-N 430.553 4.802 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)CCCCC)CC1 555241884 AFRASWSWKLNHFA-UHFFFAOYSA-N 448.615 4.592 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N[C@H](c3ccccc3OC(F)F)C(F)(F)F)C2=O)cc1 582221209 CGCJLSJCDUHHHV-FUHWJXTLSA-N 439.384 4.548 30 10 IJEE CCOc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2cccc(Cl)c2)cc1 586301812 SGOMFIBBOCRTMN-UHFFFAOYSA-N 440.908 4.646 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)OC2CCC(NC(=O)C(F)(F)F)CC2)cc1 586506758 BACVXMWZWRZCIQ-UHFFFAOYSA-N 435.508 4.504 30 10 IJEE CC(C)N(Cc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1)C[C@H]1CCCCO1 611622063 PUWJRAOVIICDKN-HSZRJFAPSA-N 438.547 4.799 30 10 IJEE C=C(COCC)[C@@H](NCCC)c1ccc(I)c(Br)c1 721614537 PJWIKTRSUMQQBW-OAHLLOKOSA-N 438.147 4.687 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1csc(C)n1)c1ccc2c(c1)OCO2 733092547 KINMYVCFLZDWHH-UHFFFAOYSA-N 436.533 4.911 30 10 IJEE Cc1noc(C)c1COc1ccccc1C(=O)OCc1cc(Cl)ccc1OCC#N 735333350 YMFKQKUZNWHURJ-UHFFFAOYSA-N 426.856 4.783 30 10 IJEE Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC2(CC#N)CC2)cc1 797424456 HQUSYSVAEGGESR-FQEVSTJZSA-N 432.549 4.649 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1ccco1 809922726 VTKWOWUWPCQXHD-MSOLQXFVSA-N 427.549 4.513 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1)Nc1ccc(Cl)cc1 1084514061 JJJQNOGMRIVGKO-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(Cl)c(Br)c1 1126923814 KVZMXUQYAJKWLB-AWEZNQCLSA-N 430.730 4.628 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1127401694 ISAFRYFUQVOICK-AOMKIAJQSA-N 438.490 4.546 30 10 IJEE C=CCC[C@H](NC(=O)CN(CCOC)C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1127411760 SXCNNVKENSDADU-SFHVURJKSA-N 444.494 4.712 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1128141735 OVLVPTBUIUPSNT-WPSZSDGUSA-N 448.991 4.974 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)cc1 1142299009 ZGIKANYEWFEBDD-UHFFFAOYSA-N 437.849 4.749 30 10 IJEE CC#CCCCC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 1151867855 QMBKFVNYOVDQDQ-NRFANRHFSA-N 428.532 4.971 30 10 IJEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)sc2ccc(C#N)cc12 1155648441 GHUFWOFQPBSDEI-GOSISDBHSA-N 427.570 4.847 30 10 IJEE C#CCOc1ccc(CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1158446981 BAOGQJJJCIECMS-FQEVSTJZSA-N 434.536 4.634 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C)cc(CNC(=O)OC(C)(C)C)c1 1162551565 JMBHPCLGGCZPNO-UHFFFAOYSA-N 426.513 4.845 30 10 IJEE C=CC[C@H](Sc1nc2sc(CC)c(C)c2c(=O)n1Cc1ccc(C)cc1)C(=O)OC 1165231253 OVSHAKCEWJHWPN-SFHVURJKSA-N 442.606 4.895 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(Oc4cccc(F)c4)CC3)c2C#N)C1 1174818474 GGZGNJGJCIOXAW-MRXNPFEDSA-N 441.572 4.756 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)c1ccccc1 1176188636 TZPHKAULHQKTLC-WOJBJXKFSA-N 438.572 4.962 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4cc(C)ccc4C)CC3)ccc2c1=O 1184416706 QYBAARUPCQVQRC-UHFFFAOYSA-N 433.577 4.508 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 1203352231 BIUMRRVYGDSHKY-UHFFFAOYSA-N 427.314 4.975 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H]4CC[C@]43CNC(=O)OC(C)(C)C)cc21 1209773650 IAIQAWHNIJXDJW-KOSHJBKYSA-N 439.560 4.524 30 10 IJEE C=C1CCC(CNC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)CC1 1217061526 YWKMRQIWMDGEJJ-UHFFFAOYSA-N 431.533 4.803 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCC1(c2ccccc2Br)CCC1 1227880848 PSPPKULHGYNQID-UHFFFAOYSA-N 429.358 4.935 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2cccc(C#N)c2)no1 1264905573 CGSQCOUBQZRZDC-UHFFFAOYSA-N 440.272 4.943 30 10 IJEE C=CC[C@@]1(C(=O)NCC2(c3cccc(OC)c3)CCCC2)CCCN1C(=O)OC(C)(C)C 1265081337 YPIHNXVQTIMBQO-SANMLTNESA-N 442.600 4.969 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O 1265517404 ZKEACYSISAOTFU-LJQANCHMSA-N 432.442 4.504 30 10 IJEE C=CCCSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1278581559 LKBNBQWHAZACDI-MRXNPFEDSA-N 432.508 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@@H]1CC 1286278390 CQBSSRAMNOMXNZ-CTNGQTDRSA-N 439.673 4.998 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286316216 JJGFJBKATZYAAY-LEWJYISDSA-N 430.600 4.524 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(C(F)(F)F)CC1 1286339459 MJLGDCPIFRWODU-UHFFFAOYSA-N 426.389 4.659 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CCCC1 1286356060 ACUCLPQKWBHCHP-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286357296 SNFZJJQIOLUPAJ-RDJZCZTQSA-N 437.371 4.581 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1286495674 BUZUWBRYNKLTPC-ROUUACIJSA-N 443.686 4.877 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1286496137 OABKEDUCOPVSNJ-RTBURBONSA-N 430.593 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC1CC(F)(F)C1 1286514919 CEBNMXOURIXVHU-LJQANCHMSA-N 435.316 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)[C@@H](C)CC 1286516943 ATBNGZJBBBWBBS-WFDFDODZSA-N 440.657 4.921 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286584516 MBDHCAJADJZLBB-RTWAWAEBSA-N 435.547 4.978 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1286598707 AOYKRQSFTZCXEZ-DENIHFKCSA-N 442.604 4.735 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(Br)o1 1286692385 DXJWMRNFIUPXTO-UHFFFAOYSA-N 431.334 4.912 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1286696005 QCXVOYCTMLKWLS-KRWDZBQOSA-N 441.967 4.850 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1N(C)CCCC1(C)C 1286713193 CTERVLSNLUWJPQ-SIKLNZKXSA-N 441.620 4.559 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)c1ncc(C)s1)C1CC1 1286733072 PAISIZFYBOPJRZ-OAHLLOKOSA-N 439.585 4.686 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCc1cc2ccccc2s1 1286768010 NJMNAGCPOBYUIK-UHFFFAOYSA-N 433.581 4.745 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1 1287277040 ICPOKZGDANZFMG-ZCNNSNEGSA-N 447.505 4.972 30 10 IJEE Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)Nc2cc(C#N)c(F)cc2F)c1 1288003137 DXSGTVIHVANTRM-FCHUYYIVSA-N 431.486 4.999 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCSC1 1288952990 GUDUXLKTZNKQIM-HKUYNNGSSA-N 443.592 4.830 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCOc2ccc(F)c(Cl)c2)C1 1288976934 GLSMBTSWVKDYKS-QFIPXVFZSA-N 431.943 4.937 30 10 IJEE CC[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1Oc1cccc(F)c1 1291505238 FUMUQYUZOIQGET-WAIKUNEKSA-N 438.482 4.608 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@@H](Cc1ccccc1)C(=O)OCC 1296421130 RJOVIOLARRLREF-QFIPXVFZSA-N 437.927 4.533 30 10 IJEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCCCC2)C1 1296439278 CFIICBCFYXJBFD-UHFFFAOYSA-N 437.588 4.561 30 10 IJEE Cc1cc2c(NC(=O)CC3(CNC(=O)OC(C)(C)C)CCCCC3)n[nH]c2cc1C#N 1300270046 CDFNDORZLNJRIF-UHFFFAOYSA-N 425.533 4.547 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@H](COC)C1 1300348402 KNDKSEHYQGXAEU-SFHVURJKSA-N 445.405 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1(OC)CCCCC1 1300788818 NDCWWXCPHKUDHO-HSZRJFAPSA-N 444.526 4.888 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN(C(C)C)C1 1300908673 ATWUUWDBNXQOJL-NRFANRHFSA-N 434.632 4.960 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1300924633 GBQKSBJXCZJQPH-QFIPXVFZSA-N 448.615 4.959 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCCC2)C1 1300950603 IXIUMOMSLIQFBI-UHFFFAOYSA-N 429.609 4.739 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)C[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301168541 RPVRPFNNHSTUQL-JGOFVUBGSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1301190608 VTPPYHZZKZIDCB-UHFFFAOYSA-N 430.600 4.564 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1301231368 IULWAMQIIPMGNJ-OAQYLSRUSA-N 437.632 4.696 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(C)C1CC1 1301293381 BYEYVDSNVRZROW-UHFFFAOYSA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cccs1 1301350831 AOQRJVJMLBKKBI-DEOSSOPVSA-N 449.555 4.641 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1C1CCCCC1 1301420861 KWFTZYNRETZXCB-HSZRJFAPSA-N 437.632 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC(F)(F)C2)C1 1301566149 KSTXJDOMTHHNFL-NHCUHLMSSA-N 430.543 4.670 30 10 IJEE C=CCSCCn1c(N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C 1301620034 BFCRTWZMHCNODO-IFMALSPDSA-N 441.689 4.984 30 10 IJEE Cc1cccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1OCc1ccccc1 1311240672 IEZPXFMAYAMNJH-NRFANRHFSA-N 428.492 4.526 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CC(c2ccccc2C)=NO1 1352519802 GYWBRLUDRYPZJN-RUZDIDTESA-N 425.488 4.886 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(C)c(=O)n(C)c2ccccc12 1357802780 AWZWYLDRPDESPC-UHFFFAOYSA-N 443.316 4.577 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@@](C)(CC)O1 1358939641 ARSIEZDGZWPLKO-ATIYNZHBSA-N 431.584 4.770 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)CC=C 1359004850 LYFRNUYCWWDUDG-UHFFFAOYSA-N 431.378 4.778 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC(C)C 1359060953 MJZLFOJKZONISK-UHFFFAOYSA-N 427.401 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CC1CCN(CCC(C)C)CC1 1359072538 HOKRBJFAIFJUPR-AREMUKBSSA-N 425.665 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCCOC1 1359095193 LISXPAZRRCMYNQ-FIKGOQFSSA-N 448.970 4.582 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1359163234 WCPLVCWNQWCDFM-UHFFFAOYSA-N 433.522 4.766 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1359168841 KZZLYEDUNBBBEC-WZONZLPQSA-N 430.618 4.533 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1359174077 WBROZKSBJKQTPZ-XUZZJYLKSA-N 437.632 4.576 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1359195467 MYROUDYKXLWYEP-DNQXCXABSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1359200879 UKQSTBYQCKYHBR-OAQYLSRUSA-N 434.588 4.965 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1359220474 AJBCWTRGAPRAPF-IBGZPJMESA-N 432.037 4.865 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1359269418 AOVDAIHEUMLNLI-UHFFFAOYSA-N 440.338 4.521 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](SC)C(C)(C)C 1359280267 KMWKXYUOEHIBCA-OAQYLSRUSA-N 441.645 4.853 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359337951 HCDSYIUMRLQLFU-SFHVURJKSA-N 449.527 4.644 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)c(OC)c1 1359810228 MFLVGAMNHSYBDB-UHFFFAOYSA-N 427.504 4.995 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1OC 1435645238 XTYCFTXGZBMNND-VZUCSPMQSA-N 446.469 4.641 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 1458774310 BTODUWYDRAFVRM-UHFFFAOYSA-N 444.900 4.772 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)ccc1Cl 1460037327 FHKFIDKYADYIOC-CZEIZJIKSA-N 432.008 4.547 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)c1ccc(F)cc1 1460785473 DXLJLCKKUVCFLZ-JOCHJYFZSA-N 449.526 4.800 30 10 IJEE C#C[C@@H](NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccc(F)cc1 1460790577 XJUUCOGZQFJJMC-HSZRJFAPSA-N 436.527 4.883 30 10 IJEE C[C@@H](NCc1cc(C#N)ccc1Br)[C@H](OC1CCOCC1)c1ccccc1 1461352184 BMSFPIMUJNTVLJ-ZHRRBRCNSA-N 429.358 4.736 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)s1 1462128397 OSDNSIYQXOGSHB-UHFFFAOYSA-N 448.013 4.532 30 10 IJEE C=CCn1cc2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc2n1 1462996107 XFCMMJNZKDANJC-UHFFFAOYSA-N 433.943 4.993 30 10 IJEE C#CCN(CC(=O)N1CCCc2cc(N3CCCC[C@H]3CC)ccc21)C(=O)OC(C)(C)C 1466377220 MDJBJSSMDWJOBO-OAQYLSRUSA-N 439.600 4.605 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1468481002 JBMOYGGDCCHESY-PZJWPPBQSA-N 431.577 4.742 30 10 IJEE C#CCN(C(=O)NCCc1ccc(CC)cc1)[C@H]1CCOc2ccc(Br)cc21 1468930938 ASINJTLQADSOAP-NRFANRHFSA-N 441.369 4.723 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC(=O)N(C)c2ccccc2C1)c1ccc(C(F)(F)F)cc1 1469491452 NACIVZXPGJPAJB-LJQANCHMSA-N 431.458 4.901 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CN(C(=O)OC(C)(C)C)C1 1470352799 IEKKRJWVQGLXPN-UHFFFAOYSA-N 434.842 4.990 30 10 IJEE CCCCn1c(S[C@@H]2CC[C@@H](C#N)C2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 1472937944 FNCGYBGALWGVBZ-IAGOWNOFSA-N 434.631 4.651 30 10 IJEE C=CCn1ncc2ccc(NCc3ccc(OCc4ccc(C(=O)OC)o4)c(OC)c3)cc21 1474729683 IIBFPMNYCMKFPL-UHFFFAOYSA-N 447.491 4.802 30 10 IJEE CC(C)(C)c1nc2ccc(S(=O)(=O)N[C@H]3CCCc4cc(C#N)ccc43)cc2s1 1475402691 HDSKVPVZRSTVRC-SFHVURJKSA-N 425.579 4.821 30 10 IJEE CC#CCCNC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1477257224 MOHISLBHZAAGKC-IBGZPJMESA-N 436.408 4.867 30 10 IJEE C#Cc1ccc(CNC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)cc1 1478672013 QXJWPGIJPJGPOG-UHFFFAOYSA-N 434.561 4.701 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CC1 1479208746 CKHJEAKEVZTTGX-QWFCFKBJSA-N 432.490 4.626 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(COCC(F)(F)F)cc1 1507543420 WJVXZFPLRKOHAB-INIZCTEOSA-N 448.514 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(OCC2CC2)c1 1507545297 CLIKTSVVXKZSPQ-IBGZPJMESA-N 447.608 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)c1cccs1 1507663899 MLYVDCCHFSQMDT-AREMUKBSSA-N 446.620 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCC 1507816567 XHXKEPHBJIUDHV-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@@H](C)C1 1507818831 YNBJPJQZRQVWPL-RTBURBONSA-N 434.588 4.514 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2csc([C@H](C)OC)n2)CC1 1507886202 YJJPAIJPPBKZOA-HNNXBMFYSA-N 445.539 4.516 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1507957861 LZLSKWKJWWKVGD-QHCPKHFHSA-N 449.599 4.646 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nnc(C)s1 1507968056 OPGGPOSYMJCJDS-AWEZNQCLSA-N 432.981 4.519 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1ncc(C)s1 1507976786 IJWNNPNWGNNUMU-CYBMUJFWSA-N 432.391 4.898 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H]2CCC[C@@H]21)C(C)C 1508012585 HACURMJIBBJIEL-AOHZBQACSA-N 436.648 4.751 30 10 IJEE C#CC[C@@]1(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CCCN1C(=O)OC(C)(C)C 1518057493 PHZDWSMWTCLMSL-QFIPXVFZSA-N 437.367 4.671 30 10 IJEE C#Cc1cccc(N(CC)C(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 1520812554 LRHYWEMFJAQGFA-UHFFFAOYSA-N 446.572 4.615 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccc(OCc3ccccc3F)cc2)cc1 1521316056 FZKMCIAMDGVJHO-VWLOTQADSA-N 429.495 4.562 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 1524714602 IEIUSGZNODCXJM-UHFFFAOYSA-N 436.515 4.885 30 10 IJEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 1525319655 CXVIZVZKSOKTBP-FQEVSTJZSA-N 437.565 4.840 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 1525586267 RLJXDBYUEGEIFE-UHFFFAOYSA-N 434.561 4.654 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(C(=O)OCC)c1C 1525888330 YNVLJINFSDGHLK-STQMWFEESA-N 447.475 4.883 30 10 IJEE C#CCOc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 1531099386 YUTBGJVSHWHYKG-UHFFFAOYSA-N 437.499 4.741 30 10 IJEE C=CC[C@]1(C(=O)Oc2cc(F)ccc2Br)CCCN1C(=O)OC(C)(C)C 1533126455 DHBBKABPFPPAKW-LJQANCHMSA-N 428.298 4.839 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc2Br)cc1 1536650755 HZXCHLFDLFSAQX-UHFFFAOYSA-N 430.298 4.669 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1)[C@@H]1CCCO1 1537763074 OIFFYDOPMWBXCY-MSOLQXFVSA-N 448.375 4.672 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1539279123 UTLHRYZILJPUFA-WOJBJXKFSA-N 444.501 4.786 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1539619692 HEKFOBQMSSTRIG-IFMALSPDSA-N 433.581 4.538 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1539622848 YFQIYIWHSNIXLV-OXJNMPFZSA-N 449.382 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1 1539643088 UACXROIRPUENRA-BXXSPATCSA-N 438.616 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCN1CCC 1539676646 RVIJWMABABOVLY-QHCPKHFHSA-N 434.632 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCN1C1CC1 1539677868 KQZYZARVINWLAA-YPAWHYETSA-N 429.653 4.616 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCc2nnc(C)s2)CC1 1539877895 JKXAFGNBBXXEIK-UHFFFAOYSA-N 428.993 4.794 30 10 IJEE C[C@](O)(Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)c1ccsc1 1541954177 DHENQKIQRPXCDS-QFIPXVFZSA-N 441.988 4.698 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccc(Cl)s2)cc1 1546190867 FQNIARSCNYZRJA-NRFANRHFSA-N 429.952 4.907 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N)C(C)C 1554670213 ANWOFBVENJXPIV-KSSFIOAISA-N 440.375 4.573 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 1556564010 AUIYTBCONZBPKU-JOCHJYFZSA-N 445.007 4.867 30 10 IJEE C=CCn1c(SCCO[C@@H]2CCOC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1559307647 OOGOCBLFGDJWDY-QGZVFWFLSA-N 428.579 4.517 30 10 IJEE CCN(CC)c1ccc(-c2nnc(SCC(=O)[C@H](C#N)c3ccccc3)n2CC)cc1 1559318692 BDMQCHRZWDUJPI-OAQYLSRUSA-N 433.581 4.780 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 1559648355 DVJOSBVMZBIXOX-XMMPIXPASA-N 444.623 4.842 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCNc1nc2ccccc2s1 1562928870 YYNQZZNGHBUDGC-UHFFFAOYSA-N 447.358 4.857 30 10 IJEE C#CCN(C(=O)NCc1cccc(OCc2ccccn2)c1)[C@@H]1CCCc2ccccc21 1563565427 RXHUTVWSSOFHLC-AREMUKBSSA-N 425.532 4.883 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1565463576 FWWLCWKEHNZKIP-DSITVLBTSA-N 433.596 4.694 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)C(=O)OC 1570221691 SIQHPMQCMVHTRQ-AWEZNQCLSA-N 426.683 4.734 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCc3ccccc3)c3ccccc3)n[nH]2)c1C 1583259401 UTJBJAFZAWBWMY-UHFFFAOYSA-N 425.536 4.966 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1587786831 AQIIAJDJNMXYFG-SANMLTNESA-N 438.616 4.864 30 10 IJEE C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(-n2cccn2)c(F)c1 1588107194 AGWZHWSSVABASL-GOSISDBHSA-N 440.478 4.953 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C(C)(C)C)C1 1588993202 GNNCQIMFDSZHCK-IBGZPJMESA-N 434.613 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Cl)cc1Cl 1589580184 NDSDAHOKDCLEIX-ACJLOTCBSA-N 433.343 4.710 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H]1C)c1ccccc1 1594534610 MVVZWXLJMJCPBN-IRFCIJBXSA-N 430.556 4.520 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1594797563 CJUXJCHTLNBDFU-UHFFFAOYSA-N 440.979 4.538 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS[C@H](C)[C@H]2C)cc1 1595639926 OQVDFJCDOZJHOJ-QZTJIDSGSA-N 440.638 4.874 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[C@@H](O)C2)C1 1595689135 RXNSBAYNINQLJL-UEVCKROQSA-N 438.616 4.575 30 10 IJEE Cc1csc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)CC#N)n1 1612359558 AWONVIGXTHGTQK-VDHUWJSZSA-N 430.622 4.504 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCC2(C)C)cc1OC 1616331023 DEZNTEXETFEXIU-PKOBYXMFSA-N 425.577 4.917 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)OCC 1624251319 AXPKSNDWFHPKLA-GOSISDBHSA-N 433.291 4.808 30 10 IJEE C=C[C@@H](CC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1626104044 JJHQASWXOUYFPE-UGKGYDQZSA-N 436.508 4.883 30 10 IJEE CCN(CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)CCC(F)(F)F 1632795545 GFAZWIZMGZNFNF-UHFFFAOYSA-N 435.515 4.855 30 10 IJEE C=C[C@H](CC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)c1ccccc1 1635199087 RXOWOHVQRYGLSO-IIBYNOLFSA-N 426.479 4.795 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1644041776 HOKYNINNRMGSKA-MXVIHJGJSA-N 430.548 4.566 30 10 IJEE C#CCN(C(=O)c1ccc(-c2ccc(C)o2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1644790449 WXYAQAGAXJQDAG-UHFFFAOYSA-N 428.554 4.791 30 10 IJEE C#CCCCCCC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1649167689 GOXQKDXCZYZREF-OAQYLSRUSA-N 440.584 4.980 30 10 IJEE C[C@@H](NC1(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCOCC1)c1ccccc1 1651518975 CRIVZPTWTJSNMC-HXUWFJFHSA-N 443.595 4.796 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 1651669585 YZRBFCDDVSSUOS-UHFFFAOYSA-N 425.598 4.804 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCc3ccccc3[C@H]2C)cc1 1652668513 AFSPXCVBULHJCT-LJQANCHMSA-N 428.536 4.532 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OCCN2CCCC2)c(C)c1 1655669053 ZVHQPOYZYOLCFT-UHFFFAOYSA-N 443.385 4.856 30 10 IJEE CCc1ccc([C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)C)cc1 1660469453 ARCRQTLTHLWQQN-LJQANCHMSA-N 439.350 4.698 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 1660547580 KAPACSWVPKQJPF-XLIONFOSSA-N 431.581 4.712 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1)c1ccc(F)c(F)c1 1671408044 APSJIXJHAVYGTQ-SFHVURJKSA-N 441.400 4.891 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC 1676479817 GFCBXVAEGCTFBB-VWLOTQADSA-N 446.503 4.636 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 1677003312 XZMOQBRWGZMBQU-FQEVSTJZSA-N 444.531 4.847 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@H]1OCCc2sccc21 1678356044 JJCZNBLMPLTWNO-KPZWWZAWSA-N 437.359 4.899 30 10 IJEE C#CC[C@H](NC(=O)N1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1)c1ccccc1 1680742859 BLEBTVHIDMBBMM-DQEYMECFSA-N 432.564 4.910 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 1683979770 RKHLIRXOQUIQQI-NIKGAXFTSA-N 425.342 4.806 30 10 IJEE CN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 1686929058 BMFPHSFKPIDPAA-IZZNHLLZSA-N 430.596 4.890 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12 1687727813 FPCBBICABKIWRS-UHFFFAOYSA-N 432.499 4.982 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N2CCCCC2=O)CC1 1689877206 SKEDFONARMJNMS-XMMPIXPASA-N 447.627 4.605 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1690025038 BIJBOKGXLDSQNS-VXKWHMMOSA-N 442.529 4.895 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](C)C1 1690156116 ROYDWOUIXHFNJK-YJBOKZPZSA-N 433.021 4.901 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1cccc(F)c1 1690227598 CNCRZQVDSSTEIB-AEFFLSMTSA-N 435.341 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cccc(Br)c1 1690250908 MWKGRKQOOLCJRZ-WIYYLYMNSA-N 445.405 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccoc1C 1690251706 YDTXOVXORBLAAW-NOZRDPDXSA-N 434.584 4.972 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690279329 BJBAFWVYNQWFRA-MRXNPFEDSA-N 449.958 4.759 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(CC(C)C)CC1 1690294608 QKTUSGOZYLPPHQ-UHFFFAOYSA-N 425.621 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690440156 ZQURAVLIUORKPS-WOJBJXKFSA-N 444.645 4.721 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1690480480 KEILRONAFNIMOC-VQTJNVASSA-N 448.615 4.914 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(OC)c(Br)c1 1690579150 GFYLUWHYPBTZLJ-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccncc2Cl)C1 1690689705 JYGAZMFMYXVNMK-MRXNPFEDSA-N 448.329 4.616 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@H]1C 1690737789 XMKGKWNNLCWSPT-ZWKOTPCHSA-N 430.618 4.895 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(c2cccc(OC)c2)CC1 1690738144 HJLZGZDLPBRRDG-UHFFFAOYSA-N 435.597 4.652 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1690740077 IJVAQAGBXZMLDR-OAHLLOKOSA-N 427.524 4.661 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)C)nc1 1695323256 BSEXSWMEKFKADK-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)C1(C)C 1696193395 IERIUZXGBICSKI-PMACEKPBSA-N 427.618 4.598 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(SC)CCOCC1 1705481388 FVQRIHAKOYNWBU-QGZVFWFLSA-N 444.670 4.646 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(O)CCCCCC1 1705485535 KNTRRBFIMBCUIC-OAQYLSRUSA-N 438.616 4.913 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1705521294 WTCDDDUDMJZNEJ-QHCPKHFHSA-N 449.643 4.633 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@H](C)[C@H]1C 1705536433 HVOMHVPMSBVCLU-RTBURBONSA-N 447.048 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1705699306 FGWFEWUHNQJKLD-GWWHBBDRSA-N 428.552 4.837 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1705750354 AFUPABRELOEJOR-UHFFFAOYSA-N 449.773 4.726 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1705769985 LTQRITKWKLXBDU-UHFFFAOYSA-N 443.473 4.562 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCCCO2)CC1 1705771556 YTUVARICLXLGPW-NRFANRHFSA-N 445.007 4.977 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CC(OC(C)(C)C)C2)CC1 1705783970 BZAUFPULMHELKO-UHFFFAOYSA-N 440.636 4.526 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1nncn1C 1705799594 AZDVDOHFUKIEEU-SFTDATJTSA-N 449.603 4.861 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccc(F)cc1 1705804894 QZIWAJNADOCCKM-UHFFFAOYSA-N 425.508 4.528 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CCOCC1 1705813237 AHDRWNVYYFEFGC-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cscc1C(F)(F)F 1705844640 MIQUWULLEYHYDC-UHFFFAOYSA-N 428.430 4.898 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCOc1cccc(C)c1)C1CC1 1705851744 QHFQWYRTPMSIPE-UHFFFAOYSA-N 442.361 4.578 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCC1CCOCC1 1705857610 YAZXAJJKGWCOCS-UHFFFAOYSA-N 426.605 4.885 30 10 IJEE C=CCN(c1nnc(COc2ccccc2CC)n1Cc1cc(C(C)(C)C)no1)C1CC1 1705858839 XNMZOFVKSFOWPV-UHFFFAOYSA-N 435.572 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC=CCO1 1705876747 JFKTXOWQDVUYJA-QGZVFWFLSA-N 435.355 4.687 30 10 IJEE C[C@@H](NC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1706847970 DVCMKBCJUPVZSV-CLOONOSVSA-N 431.588 4.533 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2nccs2)CCCC1 1712333946 BWLTXICGFMMYLZ-UHFFFAOYSA-N 436.585 4.507 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](CC)C1 1722325485 KMDNIMPQUQRQPJ-OAHLLOKOSA-N 437.382 4.592 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1722336039 GUAFRHXXYAEQJY-LJQANCHMSA-N 445.405 4.621 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC(c2ccsc2)CC1 1722340092 MYNOFPAWFLJSQH-UHFFFAOYSA-N 436.581 4.725 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@](C)(O)C1CCCCC1 1722423141 XFQMGFDHDFWKNL-VWLOTQADSA-N 426.580 4.587 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)C[C@H]1CCCO1 1722454013 GZOAOOLOBVUHTO-LJQANCHMSA-N 444.670 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](F)COC 1722469388 BBTFENSKEVLCEX-FDDCHVKYSA-N 442.535 4.789 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1722472088 AVFPZVWNTUVJDP-UMTXDNHDSA-N 433.644 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1722517038 KPTGWZSQUAIDCW-HXUWFJFHSA-N 443.611 4.909 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722597779 RIRSRNZQQRKIAA-UHFFFAOYSA-N 436.560 4.560 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722611739 BBCNBICTFZEHFD-QHCPKHFHSA-N 437.632 4.510 30 10 IJEE C=CCCCn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722623063 QQQNWZCUVMRQSZ-HSZRJFAPSA-N 430.980 4.501 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1722648007 GDPVDZPDXZGTHT-LJQANCHMSA-N 437.588 4.747 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1726822051 FWGHAOJLAGTXKK-XVTZWQNCSA-N 441.645 4.668 30 10 IJEE CCCC(O)(CCC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1727961234 IBWJJAWOHINQNY-WOJBJXKFSA-N 439.604 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1740535369 QBHMGPLKDGLYQW-CXPUYTBASA-N 442.991 4.735 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCSC1 1740559289 ZSOKUMQAFSYXHO-VQTJNVASSA-N 426.630 4.890 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(CCOC)CCC1 1740648945 UHKJTNWLYKWIPE-UHFFFAOYSA-N 445.394 4.922 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740761950 ZZKUBVOJHFBACD-IPJJNNNSSA-N 443.661 4.861 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC[C@H]1OC 1740767108 PMWXZOBOXHQAAN-WAOWUJCRSA-N 448.995 4.525 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)C1 1747482891 HYEYEFKPCRXGSX-XODARUQUSA-N 439.629 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCOC1CCCC1 1748651578 OWGRPJWTMZNWRQ-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1748738405 BGRCIMGXYJQSHI-VQIMIIECSA-N 443.389 4.899 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1sccc1Br 1748771117 HMORWBQKPLOUPX-UHFFFAOYSA-N 441.398 4.690 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1)c1ccccc1 1749243965 CIXDPJHYBWEFHV-OFNKIYASSA-N 435.616 4.780 30 10 IJEE COC[C@@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(C#N)C1 1749296906 FIZWZRNAALGELF-GAJHUEQPSA-N 427.618 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749357074 IPKQNMKKOOGWBG-HJPURHCSSA-N 448.970 4.724 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccnc2)n1Cc1ccc2c(c1)OCCCO2 1749384257 XAPCXFCPJMSQIT-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](c1cccs1)N(C)C 1749539194 VZSDQVCMUJBTBM-QFIPXVFZSA-N 444.608 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCOc1ccc(F)c(F)c1 1749551291 VJDLUFLMUKZFLQ-UHFFFAOYSA-N 441.507 4.885 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1749617705 IQDMGMPUEBIEKI-UHFFFAOYSA-N 429.355 4.914 30 10 IJEE COCCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)CCC1 1749619239 FSGFZTLQQURPDP-SFHVURJKSA-N 441.551 4.504 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CC)CCCC2)C1 1749695594 FPOHDYRXFILYHE-HXUWFJFHSA-N 440.588 4.714 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC(F)(F)c2ccccc2)C1 1749716775 BEMQKBXOYVKTLS-IBGZPJMESA-N 430.524 4.504 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCCC1 1750059467 ACQKBDOPUAYNOQ-RTBURBONSA-N 445.011 4.543 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(Cc1cccs1)C1CC1 1760144292 KPSBPSMLXQJUFE-UHFFFAOYSA-N 433.581 4.791 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1760159154 XUCRVIGJLJVPTH-GOTSBHOMSA-N 436.600 4.530 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC(C)C)C(C)C 1760318999 KKSGPSFRJLVLGE-SIKLNZKXSA-N 426.561 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)C[C@H]1CCCO1 1760320296 WVJUWDGUWYMJJS-TYPHKJRUSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC[C@H](C2CCC2)C1 1760350580 MPVAGTXVXULAAC-RPWUZVMVSA-N 438.616 4.666 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1760382718 WWFYEEMZEOVFCW-QAPCUYQASA-N 438.906 4.652 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760385534 SOKYJZXKMLQMOP-IIBYNOLFSA-N 433.394 4.661 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1760387173 IZBKHVBYFGWOAK-PKTZIBPZSA-N 440.588 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760410573 JJVBVMNVQHRTIS-RTWAWAEBSA-N 447.631 4.652 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760413892 XVKWZRVOWRMCGQ-HOYKHHGWSA-N 445.007 4.509 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCCC1)c1ccccc1 1760416904 PYXZZVYWLLAXCJ-JOCHJYFZSA-N 444.583 4.912 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1760439180 YIIVJXCQVUOPCA-UHFFFAOYSA-N 427.980 4.518 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC1(N(C)C)CCCCC1 1760481770 HEAREHCNCALJKG-UHFFFAOYSA-N 432.616 4.741 30 10 IJEE COC1CCC(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1770565840 AKDPYFWPTYFWPV-ORWMALAUSA-N 431.943 4.636 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCc2ccccc2)CC1 1772554779 LDNQLYCTCIBCHG-SANMLTNESA-N 438.616 4.744 30 10 IJEE CC(=O)Nc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2)c1 1859415578 XPSMTYOQTCFANA-UHFFFAOYSA-N 435.487 4.681 30 10 IJEE N#Cc1c(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)sc2c1CCCC2 1859742789 COMNPOGCZIJMCB-UHFFFAOYSA-N 443.576 4.811 30 10 IJEE Cn1nc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C#N)c2)cc1-c1ccc(F)cc1 1860860645 PBIBYRUBOIBYIT-UHFFFAOYSA-N 439.450 4.602 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861134063 MBLGUBIDCNRYPQ-QWYDYZLZSA-N 429.561 4.856 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1862218015 AAAACYXGSTXUIA-QFIPXVFZSA-N 446.657 4.582 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)cc1 1862502914 LLHNMXGOCIBNMI-FQEVSTJZSA-N 431.891 4.792 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862540758 VGBUUUQCEJDBOH-IBGZPJMESA-N 428.872 4.799 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 1862558073 SWVCSSAREDAXAY-QFIPXVFZSA-N 432.907 4.743 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(Cl)c2)cc1OC 1862569952 YTPOHRKBVNVGMW-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)c(O)c2)cc1 1862664155 WWYSARXXZABFQF-QFIPXVFZSA-N 433.460 4.593 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F 1862672752 GHDIEYVZBNKIRH-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 1862749156 RLATUUZWDCGYFR-FQEVSTJZSA-N 426.444 4.893 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc2cc[nH]c2c1 1862758180 YGQKKQISLLYALX-OAQYLSRUSA-N 433.464 4.845 30 10 IJEE COc1ccccc1C1=C(Nc2cc(Cl)ccc2C)C(=O)N(c2ccccc2C#N)C1=O 1863065386 LYWWRRNIHIEITI-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc4c(O)cccc34)C2=O)cc1 1863110675 AHMNCGWQJNPAJK-UHFFFAOYSA-N 437.480 4.875 30 10 IJEE C#CCOc1cn(Cc2ccccc2)c(CSc2nc3ccccc3n2CCC)cc1=O 1870298774 KIZWWHRYMAANRB-UHFFFAOYSA-N 443.572 4.961 30 10 IJEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CSc2ccccc2)cc1=O 1870302554 SWJDHQIMFIUYMP-RUZDIDTESA-N 444.600 4.990 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1Cc1ccc(O)cc1 1870622360 AKEJRQTWIGVVDL-UHFFFAOYSA-N 430.548 4.664 30 10 IJEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(OC)cc2)cc1=O 1870833357 FVASHKRXPPGCPH-HSZRJFAPSA-N 428.573 4.997 30 10 IJEE CCCCCCCOc1cn(CCOCCO)c(CNc2ccccc2C(C)C)cc1=O 1870838158 RFMOYFIXZAFSLD-UHFFFAOYSA-N 444.616 4.942 30 10 IJEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2cc(OC)cc(OC)c2)cc1=O 1871007216 RHMKKKLQMZKJLJ-UHFFFAOYSA-N 446.547 4.513 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)c1OC 1871371813 KLQXACDRXJHJLM-XKZIYDEJSA-N 448.446 4.916 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871453708 NTDUYIPBGDXEIH-OYKKKHCWSA-N 428.488 4.695 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871456936 FSNZJYWVRACTNO-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CC1 1871789235 XZYYHTBPOYJERP-SFHVURJKSA-N 433.401 4.861 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871852243 HKAJIWMJTQYIPF-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872041463 UYYGEIIXBVUCDA-HXOBKFHXSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872409816 WBALNFUSOHGNPU-JOCHJYFZSA-N 428.598 4.842 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 1872771152 NGFFYWGETQLCBL-OAHLLOKOSA-N 443.868 4.879 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1873309375 FQSAYIRHXXEVFA-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)c(OCC)c2)cc2c(N3CCCCC3)ncnc21 1873668790 FFRCMJJYDZWLOC-UHFFFAOYSA-N 449.555 4.657 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3cccc(Cl)c3)c(=O)oc2c1 1873906552 PXFYPZPWZGAQRM-UHFFFAOYSA-N 425.912 4.959 30 10 IJEE CCCCc1ccc(NC(=O)CCc2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cc1 1873912728 SGDZYNPKTRREPS-UHFFFAOYSA-N 426.520 4.875 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(Cc2ccc(Br)cc2)nnc1SC 1874208340 CMOIEPBWVSGAHC-HYARGMPZSA-N 443.370 4.800 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)cc1OC 1874321206 FNZLDEVITPEDLD-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(F)cc1F 1874409698 JFGQVCNTGSOCEG-ZMOGYAJESA-N 436.528 4.607 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)c1 1874442326 YVNLLGNCIWTELY-JHXRPTDYSA-N 438.553 4.630 30 10 IJEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1CCCO1 1874451163 SQMKAJKPDIFYQD-CBVHTYNASA-N 436.368 4.949 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874468869 BPHWFCXTNMGATC-UFFVCSGVSA-N 439.324 4.772 30 10 IJEE COCCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(Cl)ccc1O 1874472657 QIAKOPFNGZIOAZ-FSJBWODESA-N 430.961 4.617 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CC2)c1 1874518355 PKFWHJBLPPANJJ-MFKUBSTISA-N 449.580 4.866 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccc(C)cc1 1874575626 XLVBMOMIPCQIRB-XNTDXEJSSA-N 446.459 4.825 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)OCC(C)C 1874619833 VQPSUOKWTVYFDN-CSKARUKUSA-N 426.509 4.876 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c(C)c1 1874620838 VZPBUVYZYGSXTK-IZZDOVSWSA-N 443.499 4.988 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2OC)c(Br)cc1OC 1874704631 VRQAPIGTHXDNCQ-BQYQJAHWSA-N 433.298 4.986 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)CCOC 1875108343 KWZCGFUXUOAJFY-SOFGYWHQSA-N 432.900 4.894 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@@]2(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880022479 DMNOEYXICUHSQU-DEOSSOPVSA-N 427.545 4.717 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)CCc2ccccc2C(F)(F)F)c1 1891153114 MSOJGQIESVLWAG-UHFFFAOYSA-N 432.486 4.683 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Br 1891653725 QPVIWSRIJKUTDU-UHFFFAOYSA-N 446.650 4.934 30 10 IJEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(OCCOc3ccccc3)cc2)CC1 1891658609 XINRBTPLXNGUBY-UHFFFAOYSA-N 426.516 4.842 30 10 IJEE Cc1cc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)ccc1Cl 1892138171 ZDIHFJKYUBHIME-LEWJYISDSA-N 427.957 4.552 30 10 IJEE C=C([C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC)[Si](C)(C)C 1922998013 CDQZNSGWJSCGBE-QFIPXVFZSA-N 445.724 4.958 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCB1OC(C)(C)C(C)(C)O1 1977838267 IDXAREHQAXXISX-FCHUYYIVSA-N 444.425 4.980 30 10 IJEE N#Cc1ccc(N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cc1Br 1998961619 AADXINLACOKCQF-MRXNPFEDSA-N 442.235 4.590 30 10 IJEE Cc1ccc([C@@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)cc1C 2079078057 JSFUNXHPJWLGAN-OVEPSTSESA-N 425.314 4.857 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NC 2110503748 MSVDMIUCIUYAJH-GJZGRUSLSA-N 447.776 4.679 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)c1 2124523565 HWEKOYDXPDPQCJ-IAGOWNOFSA-N 442.365 4.506 30 10 IJEE CC1(C)OB(c2ccc(CNCCc3cccc(OCc4ccccc4)c3)cc2)OC1(C)C 2151198138 LEKMCYKJHFPVHU-UHFFFAOYSA-N 443.396 4.897 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1Nc1ccc(C#N)cc1Br 2162304192 YSFRIFXWTSYSDE-OALUTQOASA-N 428.330 4.923 30 10 IJEE COC[C@@]1(CNc2ccc(C#N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2162417314 BBXSTNSWEZMVEQ-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2ccc(C#N)c(Br)c2)[C@@H](C(F)(F)F)C1 2163252810 CYLHBULGWSKLPZ-OCCSQVGLSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)C1 2181147474 SGJYUGHDZQJCOS-CZUORRHYSA-N 436.350 4.733 30 10 IJEE O[C@@H](C#Cc1cccc(Cl)c1)c1cc(I)ccc1Br 2231079483 LEDUVMCQCOWLQF-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@@H](O)C#Cc2ccccc2Br)cn1 2235741111 SAHWUUMIXIUIKH-SFHVURJKSA-N 431.330 4.691 30 10 IJEE N#CC1(C(=O)Nc2ccc(Br)cc2I)CCCCCC1 2240369404 HQUXSVTVVXVNAH-UHFFFAOYSA-N 447.114 4.856 30 10 IJEE Cc1cc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)ccc1CNC(=O)OC(C)(C)C 2279021534 NMVPLSBEMMLROO-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2296218651 GJLGRGGVUKUPEL-UZLBHIALSA-N 445.348 4.717 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CC(C)(C)C1 2296218794 IDINAZJNEMMPMR-GOSISDBHSA-N 435.406 4.862 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2296228462 ZGRSSEVDAIFRFK-RBUKOAKNSA-N 434.374 4.899 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2296271800 HJZUYQGZWSDHDW-MJGOQNOKSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC1CC(NC(=O)OC(C)(C)C)C1 2296276675 KOIRFNLZIPZKJQ-SYYJFZTOSA-N 435.406 4.862 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)c1 2322378810 LFLVAXPATKUCTL-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)N[C@H](C)c1ccccc1 2323807825 FLGFOTXNEJTIGI-LJQANCHMSA-N 445.515 4.856 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C[C@H](C)O1 2324017405 MPOJKFAOYIUJMO-STQMWFEESA-N 434.319 4.924 30 10 IJEE CCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2324651473 QWXGSWCFCPRQSR-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c1 2324690427 AFTFMFNISFOJOG-INIZCTEOSA-N 426.444 4.995 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325424624 HWYBITLCYIPNML-MRXNPFEDSA-N 431.444 4.813 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)CCOc3ccccc3)c2)c1 2325744526 QIAGROTZWIWABM-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(F)cc1 2326211714 QMKXBOXIADVYLM-UHFFFAOYSA-N 428.533 4.604 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2327566007 DIPIZFNTLKORRZ-UHFFFAOYSA-N 444.944 4.688 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2327849743 FJRUVGRELPLEPI-QGZVFWFLSA-N 427.618 4.684 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)OCC(C)C)nnc1[C@@H](C)c1ccccc1 2330133611 ZBZMSZVIFIMIRY-IBGZPJMESA-N 436.581 4.912 30 10 IJEE CSc1nnc(Cc2cccs2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330309932 XTPDAWKSXHGHLW-UHFFFAOYSA-N 434.546 4.754 30 10 IJEE O=C(CSc1nnc(Cc2cccs2)n1N=Cc1cccs1)Nc1ccccc1 2330323005 LYYDXCSBWPZATF-UHFFFAOYSA-N 439.591 4.605 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1Br 2331615477 RDRRCBMLAWRYIR-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE CC[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339575881 BOKROMTXDAVTCB-NSFRLNINSA-N 433.405 4.827 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339583129 UREVINGMPSXDEM-IEBWSBKVSA-N 444.381 4.751 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2362762524 FJSYNORIOLLMCM-MOPGFXCFSA-N 437.378 4.558 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2363628370 ZGGXKCSTGNEHRW-MOPGFXCFSA-N 449.414 4.586 30 10 IJEE C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nc2sccc2c1=O 10493839 NHAXNCGMGAMMNY-UHFFFAOYSA-N 430.580 4.919 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2cccc(C)c2Cl)N2CCC[C@H](C)C2)n1 14160164 QVSZPPGKYPBLPJ-ZDUSSCGKSA-N 431.009 4.952 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OCCC)cc1 14653573 OUMKNRKAKHVNFM-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c1 14783841 IBBNIFWCMLMJAQ-UHFFFAOYSA-N 448.544 4.836 30 10 IJEE Cc1c(C(=O)NO)cccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C(C)C)cc1 20665164 AXORWALJFHPEMW-UHFFFAOYSA-N 438.549 4.633 30 10 IJEE C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC 20892434 COILCXTVMPEXAA-QFIPXVFZSA-N 439.512 4.668 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(OC)c2)nc2sc3c(c2c1=O)CCCC3 23559157 SBDGIFUCKLIGLB-UHFFFAOYSA-N 426.563 4.506 30 10 IJEE NS(=O)(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc(-c4ccc(F)cc4)o3)o2)cc1 33568286 XQDHMAMMFKEEAU-XFFZJAGNSA-N 437.448 4.889 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)C/C2=N\OC(=O)c1ccccc1 33960599 WXEJDQLVYOXWTF-XJHCDOBBSA-N 435.480 4.963 30 10 IJEE C=CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2 37603067 FWGMAOBVTIYVHE-BDYUSTAISA-N 448.607 4.975 30 10 IJEE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823941 JYFLFIFPFPCRTC-MTDXEUNCSA-N 435.455 4.903 30 10 IJEE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)c1 40825350 HBORGUXVZNFNCD-WPWMEQJKSA-N 433.537 4.571 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(C)cc2)n1 59019620 UNVCSEBUYRMPOK-LPYMAVHISA-N 438.582 4.568 30 10 IJEE CCN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@H]1CC(=O)N(c2cccc(C)c2)C1=O 59446554 LDYVNEQTQACDNQ-KRWDZBQOSA-N 436.364 4.964 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)/C=C/c1c(C)nn(C)c1Cl 72055943 MGKYNPCRMGZRIH-SOFGYWHQSA-N 426.717 4.512 30 10 IJEE COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(Cl)cc2)C3=O)cc1 103022425 DSPKZSBVBPFOHM-CIAFOILYSA-N 442.876 4.733 30 10 IJEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccc(F)c(F)c3)S2(=O)=O)cc1 104402234 WZNJECQRERQPTO-XKZIYDEJSA-N 440.471 4.759 30 10 IJEE CCC(=O)N1CCc2cc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc21 108377752 DCUMBSWGTGBLSO-UHFFFAOYSA-N 439.515 4.883 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2OC)cc1C 169940798 KVGRRKLOAOCXAJ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)c1OC 169951242 VQCDHNWTAVSKAG-QFIPXVFZSA-N 446.503 4.706 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)cc1 169957125 NOKNDHWMEOQUPM-DEOSSOPVSA-N 446.547 4.599 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccc(OC(C)C)cc1 169977878 YDYBMHROQMLGGO-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccccn2)c1 169991880 RZKMZAVVWZZJCI-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCOC(C)C)c1 170035325 RKKIERMIQQOXMD-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 170058889 NLUDPVZGCOPNTN-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)cc1C 170062521 CJMAESUPSVRPNX-QHCPKHFHSA-N 445.446 4.954 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccccc1F 170071589 IIBVQMGIBWOKHL-QFIPXVFZSA-N 446.409 4.628 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccco2)cc1 170095072 YCPGBHVBVKEXQG-QFIPXVFZSA-N 447.443 4.578 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(O)cc1 170132081 QDLQSHBLYRBXHS-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccc(O)cc1 170136721 SJEGURZYEIFXSQ-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)ccc1Cl 170162679 QWHJHBGRNNKAAU-IBGZPJMESA-N 440.908 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170171473 NFNWDMLJNQDNRG-OAQYLSRUSA-N 446.846 4.970 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccncc2)cc1 170201322 COVRKIPOVBSZOE-VOIUYBSRSA-N 440.499 4.750 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c1 170230936 AZIMXXAYKCRTPE-DEOSSOPVSA-N 442.515 4.895 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)ccc1Cl 170250426 JWSXARZTDHPQMO-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)c1 170278656 RQZOOTOWNCMEAF-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccco1 170287869 SVGSYDFOYPQGSR-NRFANRHFSA-N 433.460 4.697 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)c1 170292841 KXEPUVUYSFLNSX-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccco2)cc1 170296450 BMSYZTLHMYJUJI-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C)o2)ccc1Cl 170298599 UOJIYERMUIHJCQ-FQEVSTJZSA-N 447.915 4.643 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(O)cc1)c1ccncc1 170341654 MRHFWYNHQANMIN-LJQANCHMSA-N 440.377 4.589 30 10 IJEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(C)c2)c1 170460357 KNHLLCPYADDBPJ-JOCHJYFZSA-N 445.471 4.938 30 10 IJEE CCCCCCOCc1cc(I)cc(B2OC(C)(C)C(C)(C)O2)c1 195938259 BSQYCLKONRHJGF-UHFFFAOYSA-N 444.162 4.687 30 10 IJEE Cc1ccc(C=NN=C2N=C(O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1 252621880 NIZRGWJLAGCIFG-INIZCTEOSA-N 434.443 4.804 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 508831692 GDFDZCHACBNMIB-GXZWQRSESA-N 437.371 4.601 30 10 IJEE N#Cc1ccccc1N1C(=O)C(O)=C(c2cccs2)[C@@H]1c1coc2ccc(F)cc2c1=O 526606515 LKGAHZUAAQAJIL-NRFANRHFSA-N 444.443 4.922 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N\n1cnnc1SCc1cccc2ccccc12 526820695 ZBYQBZFQLDFGGT-MXAYSNPKSA-N 434.521 4.632 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H](c2ccccc2)O1 549582574 PVHCVIHOLKBNDA-MBSDFSHPSA-N 441.560 4.893 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 558452426 JLVPYKQMKJKAHL-HXUWFJFHSA-N 441.583 4.765 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 577920429 QBYPZYYHTBIMSR-IAGOWNOFSA-N 449.628 4.628 30 10 IJEE C=C(C)C(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 605696932 DVEHRVPFAWVDCV-RVTXAWHXSA-N 430.585 4.752 30 10 IJEE in-vitro Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)o1 615385764 RWNNFNOIBQNIGI-IIBYNOLFSA-N 444.491 4.585 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1F 687754121 IKVVSHVVULQUSM-AREMUKBSSA-N 444.462 4.926 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 724091919 MIKQXWCREZBJJH-AUUYWEPGSA-N 435.487 4.763 30 10 IJEE CCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2oc3ccccc3c2C)cc1 734296251 OHBRCPRTGASNEP-OAQYLSRUSA-N 435.549 4.571 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 742867769 DMSROWQRVHBZSV-HXUWFJFHSA-N 435.524 4.674 30 10 IJEE Cc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)cc1F 762445305 NPGMWXCAEQKWTQ-UHFFFAOYSA-O 440.907 4.976 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccccn2)n1Cc1ccco1 768410896 DVTNXVRWNPEMFZ-UHFFFAOYSA-N 437.912 4.829 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1csc(-c2cccc3ccccc23)n1 786559548 PGTNWVLLKMEFMH-LJQANCHMSA-N 447.466 4.880 30 10 IJEE COc1ccc(COc2ccc(C=NNc3nc(SCc4ccccc4)n[nH]3)o2)cc1 1084429437 NUJRWYYKWNSGFT-UHFFFAOYSA-N 435.509 4.724 30 10 IJEE C[C@H](OC(=O)COc1cccc(Br)c1C#N)c1nc2ccc(Cl)cc2n1C 1126630429 IEHRLCXQCOMNAN-NSHDSACASA-N 448.704 4.544 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(OC)c(OC)c(C)c2OC)s1 1128369012 TYIMAHYHFTZHIY-UHFFFAOYSA-N 442.990 4.812 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC=C)C1 1131567051 AJASBEVZBSLGNQ-AWEZNQCLSA-N 437.396 4.955 30 10 IJEE C=CC[C@H](C(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1131832850 PBJTYVIZJWHUFN-PKTZIBPZSA-N 442.600 4.611 30 10 IJEE CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2cnc(OC)c(C#N)c2)cc1 1134070516 HGYDVPKAHYBKMG-UHFFFAOYSA-N 437.503 4.938 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc2n1 1134293095 HAOGZJZKPCVUEW-UHFFFAOYSA-N 432.524 4.768 30 10 IJEE C#Cc1ccc(NC(=O)c2c(Cl)ccc(I)c2F)c(Cl)c1 1134656709 BQKVKNNMQSWMQW-UHFFFAOYSA-N 434.035 4.971 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)C[C@@H](C)C#N 1136270921 KCEFDEQVGYPVRB-DFBJGRDBSA-N 445.563 4.868 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 1136572119 OUHKMRPHTPLREK-QGZVFWFLSA-N 427.372 4.914 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)c1ccc(Br)cc1 1141460678 DIQKDBMVTCDROL-OAQYLSRUSA-N 435.321 4.773 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCCc3ccc(-c4ccccc4)cc3)n[nH]2)c1C 1149667336 CWWZUIZQPSTLJS-UHFFFAOYSA-N 425.536 4.716 30 10 IJEE CCCC[C@](C)(NCC(=O)NCc1ccc(C#N)cc1)c1cccc(Br)c1 1169932984 GAJPAKNKZGJUAM-QFIPXVFZSA-N 428.374 4.632 30 10 IJEE C[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 1193292754 ALEDTJKRLPFGBX-HXUWFJFHSA-N 439.563 4.900 30 10 IJEE CC(C)(CO)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 1199244748 GIOIJIDRVNWNRY-JOCHJYFZSA-N 430.508 4.669 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Cl)cc1-n1cccn1)c1ccc(Br)cc1 1203500366 MGDABBLIWBWQIF-MRXNPFEDSA-N 429.705 4.784 30 10 IJEE C=CC[C@@H](NC(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1)c1ccncc1 1222021489 JQOQNWXEPVMBQM-HXUWFJFHSA-N 438.528 4.650 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(F)c(F)c1 1222254777 SEBGPAFQOSHRQJ-AZUAARDMSA-N 433.886 4.730 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1229990544 WPAWAQOZPOBWMK-BJKOFHAPSA-N 449.595 4.835 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 1252852412 YPTUJAPDGYGPRG-UHFFFAOYSA-N 427.998 4.937 30 10 IJEE C=CCC1(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)CCOCC1 1278614694 AEYFWBQVRXXIBI-UHFFFAOYSA-N 436.936 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCCN1CCC 1286278804 GLSGRHSUKBMKID-ZJOUEHCJSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H](C)N1CCCCC1 1286282605 NUCXQPNFRSTGQE-IAGOWNOFSA-N 434.415 4.974 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1cccc(COC(C)(C)C)c1 1286520065 VDMGMIVGUZCOSG-AREMUKBSSA-N 429.568 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1cc(C)ccc1OC 1286569140 FGCJFOFWWMCTIU-UHFFFAOYSA-N 425.964 4.956 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCCCC2)CC1 1286638599 GWNFMAXTWRKRCW-UHFFFAOYSA-N 448.409 4.932 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1CCSC1 1286696134 UTJCDDUNJIYYRB-OAHLLOKOSA-N 437.407 4.624 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1286740228 GDUKPJPVXOIKJR-NHCUHLMSSA-N 439.648 4.798 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccnc(SC)c2)C1 1286805501 SORGRYRJNNNFQW-LJQANCHMSA-N 441.988 4.545 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1286830980 XQCNMUPUBGLNOJ-YADHBBJMSA-N 439.673 4.955 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC1CCN(Cc2cccs2)CC1 1290091533 HLMBBSFUZUHOLO-HXUWFJFHSA-N 448.640 4.966 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccccc2OC)nnc1N1CCC[C@](C)(C#N)C1)OC 1291952782 HIMWKIIOGUMTON-PXDATVDWSA-N 439.604 4.925 30 10 IJEE CO[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1299714052 DJGFADFLCJRXNR-QFIPXVFZSA-N 439.604 4.665 30 10 IJEE COC1(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CCCCC1 1299818611 DKMKLAZAXXTYFJ-UHFFFAOYSA-N 443.979 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(COC)CCC1 1300271613 INZABNPLTBUFSN-OALUTQOASA-N 445.007 4.963 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300513507 YMJCZFITHADDQH-GIFXNVAJSA-N 445.655 4.649 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1300564796 HGVAHWNDWBDQRL-IFMALSPDSA-N 439.003 4.903 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1300733266 IVIQYGWIPRVAPP-QZTJIDSGSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1300743623 WCBNZPANFATRGX-SBUREZEXSA-N 439.654 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(F)(F)F 1300813907 UYMAUBNLFOEWSZ-HXUWFJFHSA-N 440.897 4.806 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CCSC 1300852604 AWSPODIWRTZJSN-HNNXBMFYSA-N 448.434 4.837 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1OC 1300886125 WJAGVGQZVXCCDQ-WMZHIEFXSA-N 442.604 4.502 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccsc1 1300999796 GSBQYVGGVMSDEL-FQEVSTJZSA-N 442.560 4.992 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2cccnc2)CC1 1301119469 JWMUTUVWKPYMNZ-UHFFFAOYSA-N 447.583 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(C)C 1301150280 QKMUPHWDYMQBFM-UHFFFAOYSA-N 436.604 4.930 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)C1CCCCC1 1301221664 NAAOVKYOSNZJLQ-FQEVSTJZSA-N 437.636 4.823 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1301227100 LTLOAXNDYNVGPJ-LJQANCHMSA-N 425.577 4.808 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCSC1 1301334629 PMLQEIIRTUHMBZ-FQEVSTJZSA-N 435.597 4.685 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H]1CCCSC1 1301354668 GCMFKXSKAILYRL-HXUWFJFHSA-N 437.588 4.739 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1301612386 LTFPLQQMJFLWSE-VXKWHMMOSA-N 442.629 4.579 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](c3c[nH]c4ncccc34)C2)CCCN1C(=O)OC(C)(C)C 1301946256 CMXZIAVZCHZTFR-AVRWGWEMSA-N 438.572 4.615 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)C(C)C)nc2ccccc2c1=O 1307256006 RKFKWUWYKDFPSG-HTAPYJJXSA-N 433.577 4.677 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccnn2Cc2cnn(-c3ccccc3)c2)cc1OC 1308357047 MBURISOQUFOUQA-UHFFFAOYSA-N 449.942 4.956 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(C)c(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1 1310057582 MVJGBLHHSCWRGZ-GOSISDBHSA-N 430.434 4.819 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(C)(F)F)cc1 1314197455 FYPPWPJFXHCQMM-VGOFRKELSA-N 447.530 4.992 30 10 IJEE C=CCc1ccc(OC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(OC)c1 1347800285 FSTFVBOKCFBHMW-UHFFFAOYSA-N 428.488 4.958 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(OCCc4ccccc4)nc3)o2)cc1 1353410652 CLDWBANJSPVZSY-UHFFFAOYSA-N 439.471 4.999 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 1353999490 NAYIUJDOXGGWHM-UHFFFAOYSA-N 425.351 4.967 30 10 IJEE CCOc1ccc(-c2nc(CC)c(C(=O)N3CCN(c4ccccc4C#N)CC3)s2)cc1 1357547206 DJZQWXWNFPDVNT-UHFFFAOYSA-N 446.576 4.605 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccc2ccccc2c1 1358350383 BJAWSXDVCSWXLB-QFIPXVFZSA-N 433.483 4.846 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1358909125 VCLXSSHPHIGUKB-RXVVDRJESA-N 433.383 4.777 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1358988008 ZIYKLUWXVLYGLJ-IBGZPJMESA-N 426.511 4.632 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1359132397 WSQZVPQMNNZEAD-QHCPKHFHSA-N 439.604 4.502 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1359163258 WYZOOYPSUPEYTA-UHFFFAOYSA-N 429.540 4.544 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1359175179 BSCCLMSIGLQAPF-JOCHJYFZSA-N 428.989 4.970 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359217730 KXTWNUNJECBIEE-UHFFFAOYSA-N 439.510 4.556 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCCCC1 1359258029 DLCQZVGJPRYYEN-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCCn1cc(C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)nn1 1361090706 JLSVADSQOKEYTH-QFIPXVFZSA-N 439.357 4.505 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)C(F)(F)F)cc1 1436238846 IQWMTJPFWKOOPJ-JOCHJYFZSA-N 444.405 4.871 30 10 IJEE C#CC[C@@]1(C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)CCCN1C(=O)OC(C)(C)C 1438341116 BSXKIJZAIZRHPY-SVBPBHIXSA-N 436.596 4.865 30 10 IJEE C=C(CCN(C)C)C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1441462584 GHVJUQSDGDPZQH-HSZRJFAPSA-N 425.642 4.595 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 1442061943 JOSHPYVBTFRLGN-PKTZIBPZSA-N 443.632 4.825 30 10 IJEE N#Cc1ccc(OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1Br 1442289058 BMQPFYNSQCRNRM-JOCHJYFZSA-N 447.332 4.874 30 10 IJEE CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 1444878611 GUETUDXGMNVRRO-UHFFFAOYSA-N 437.471 4.995 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N[C@@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CCCCC3 1458737367 YJVPKKPMLAIBJJ-HNAYVOBHSA-N 447.670 4.944 30 10 IJEE C=CCn1c(SCC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)nc2ccccc21 1458761240 YGZGZYLRGMOHMV-UHFFFAOYSA-N 445.592 4.743 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@H]1CCO[C@@H](c2cccnc2)C1 1458825388 HMQFEHSKWWSZRU-FXAWDEMLSA-N 426.517 4.590 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1459417494 NZJRRCBTUIPZCD-UHFFFAOYSA-N 442.581 4.631 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)cc1 1459954487 SOIWDZCEQIDWMK-UHFFFAOYSA-N 428.311 4.622 30 10 IJEE C=C[C@@H](C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccccc1 1466396234 FEYNSLDWDNIVIQ-HHHXNRCGSA-N 425.576 4.960 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccc1)C(F)F)[C@@H]1CCOc2ccc(Br)cc21 1466618531 UOSVEPNMEXCMKI-IEBWSBKVSA-N 449.295 4.924 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 1467306151 ZSGWEBRJEBNGKH-IPMKNSEASA-N 436.980 4.522 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1468411659 NUOAWNIODCJTOJ-LEWJYISDSA-N 445.485 4.813 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 1470785606 AVWMUYXFUQXDNL-DQYPLSBCSA-N 449.311 4.935 30 10 IJEE COc1cc(Cn2ccnc2[C@@H](O)c2cccs2)ccc1OCc1cccc(C#N)c1 1473042222 AZQYNTVDKDGBKQ-QHCPKHFHSA-N 431.517 4.534 30 10 IJEE C#CCN(Cc1ccc(F)cc1)Cc1cc(Br)cc(Br)c1O 1474339318 OOIBAZUAGAZLDB-UHFFFAOYSA-N 427.111 4.692 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1507565626 FVGQABHWERAMQO-HNNXBMFYSA-N 429.540 4.913 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507577813 UTDKILNLAVBDGM-OAHLLOKOSA-N 428.405 4.739 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507671122 ZPGJRHKRHFIFMX-RTWAWAEBSA-N 428.502 4.934 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CC1(c2ccccn2)CCC1 1507698575 OLTYBDADDVIKOZ-UHFFFAOYSA-N 447.608 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1ccc(OC(C)C)nc1 1507766390 OEALFPMONXUFNM-XMMPIXPASA-N 435.959 4.821 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccccc1)C1CC1 1507788060 JVKUUGYURNRIGA-UHFFFAOYSA-N 444.402 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CC#N 1507796150 LEYVKMHHBCGIPY-PWHSHALESA-N 430.556 4.521 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CCC1 1507803958 HZWUBJHAXJYIBP-JLMWRMLUSA-N 428.552 4.775 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507881254 SKLDYOHDSGZNQW-IBGZPJMESA-N 439.604 4.919 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N(C)C2CC2)CC1 1507882150 RTYYYUCTHOCALZ-ZWKOTPCHSA-N 429.996 4.711 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cn2ccc(C)cc2n1 1507967279 FBCRZUBMDZVCRX-FQEVSTJZSA-N 430.556 4.662 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1507968323 RKWCSJDDKRHVIG-PMACEKPBSA-N 445.633 4.570 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC[C@H]1CCCCO1 1507999956 SJKFJPWCAGSCJM-DHIUTWEWSA-N 435.572 4.543 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCc1ncc(CC)s1 1508004946 SDGCLHGMBFVMTJ-UHFFFAOYSA-N 432.597 4.738 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCC1CCC(OC)CC1 1508005683 ZIBOEZZUDOBTFN-SHSGKGFPSA-N 438.616 4.960 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1 1508008298 LXYLOUSWMWEDEP-OAQYLSRUSA-N 437.588 4.881 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N(C)C)nc1 1508011402 DBQWLKAVXXAQLS-UHFFFAOYSA-N 430.600 4.930 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)s1 1511423892 BXXGOFQZPXALHQ-OAHLLOKOSA-N 432.553 4.923 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)s1 1521409661 ADSRQWLPQSQOKK-NSHDSACASA-N 444.981 4.872 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1csc(Cc2cccc(F)c2)n1 1523502781 VJQAEBJYNOWLKA-UHFFFAOYSA-N 441.480 4.616 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c(C(=O)OCC)c1C 1525887242 COSXRTSTBYRWQB-ZIAGYGMSSA-N 433.551 4.688 30 10 IJEE C=C(CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1ccccc1 1527585076 HHODLOKYMKKDBQ-UHFFFAOYSA-N 436.353 4.957 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc(F)cc1 1528464245 ZVGUZWIOONEGMC-GOSISDBHSA-N 429.314 4.745 30 10 IJEE C=CCCSCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 1531366199 WDJKOLFEPPMYRB-BEFAXECRSA-N 426.985 4.593 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)c2)s1 1532150182 BZHQJDGNVPMUJS-QGZVFWFLSA-N 435.936 4.609 30 10 IJEE N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 1533669870 FEHSZPUYAZKNFM-FQEVSTJZSA-N 447.947 4.898 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)cc1OC 1535131453 VBHOTBBVRJSPSR-DQRYEYLNSA-N 434.580 4.692 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1539035725 MPENZXAUFSUAEJ-UHFFFAOYSA-N 447.000 4.733 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2ccc(Br)cc2)no1)c1ccccc1 1539185569 GOEDBJNVILHQJC-AREMUKBSSA-N 431.311 4.957 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1539499118 DTNHBMSDIYSNOO-PMACEKPBSA-N 439.673 4.528 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCCC[C@@H](C)C1 1539530901 PCIVQFQZWGPLTP-GOSISDBHSA-N 430.643 4.572 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539774877 GEGZLFLGROLQCJ-CVEARBPZSA-N 447.370 4.551 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 1539960132 XASFREJCYHTWPC-UHFFFAOYSA-N 427.902 4.639 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1scnc1C 1540087499 ZHQGFCCBDGBHDQ-UHFFFAOYSA-N 425.602 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2[C@@H]2C[C@H]2C(C)C)C1 1540887240 SSKYMUALIYHSBZ-PCCBWWKXSA-N 440.588 4.739 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCC(F)(F)C1 1541187023 DMESWJBVUJCQJW-ICSRJNTNSA-N 443.542 4.752 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)C1 1541378647 FNMWEBYQCCXRQT-FGZHOGPDSA-N 437.588 4.560 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1 1541406388 AYDKOQRPSXSDLO-IFMALSPDSA-N 435.597 4.966 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CCCc2ccccc2)n1Cc1csc(-c2ccco2)n1 1541806053 CUBKOMHXWVQUQD-GOSISDBHSA-N 446.580 4.957 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(Oc2ccccc2)nc1 1542610815 CBYUVOXEHWQGQG-UHFFFAOYSA-N 426.476 4.554 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(C)C)c1 1544584087 VAGNABJFBKLTIM-QFIPXVFZSA-N 447.000 4.982 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)C[C@@H](C)O1 1544712574 BECXLSLCOPCVFC-SCTDSRPQSA-N 429.515 4.646 30 10 IJEE C#CCN(CC(=O)N[C@@H](CC(C)C)c1ccccc1OCC(C)C)C(=O)OC(C)(C)C 1545267035 SETSRYPNQWAISR-NRFANRHFSA-N 430.589 4.795 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cccnc2Nc2ccc(OCC)cc2)cc1C#N 1546004353 BGADRFWNAGKPHT-UHFFFAOYSA-N 445.479 4.916 30 10 IJEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1CCC(F)(F)CC1 1546528812 DBEXCPSJNSGCAU-UHFFFAOYSA-N 448.949 4.518 30 10 IJEE N#Cc1cccc(NC(=O)CCSc2nc3ccccc3c(=O)n2-c2ccccc2F)c1 1559320443 ANHKIBMJSCYSIK-UHFFFAOYSA-N 444.491 4.517 30 10 IJEE COc1ccc(OCC(=O)NCc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1 1559439145 DPCWWHAYPPPBCG-UHFFFAOYSA-N 425.300 4.567 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(c3cccc(Br)c3)CC2)CC1 1559786564 GXOKRMSOFCNBEA-FRIYVGAWSA-N 446.433 4.948 30 10 IJEE C=C[C@H]1CCCCN1C(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1562184239 QDCFRQBVZBFBCZ-HNNXBMFYSA-N 436.434 4.640 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 1563759558 CZGMYVJEKOJYFT-UHFFFAOYSA-N 438.568 4.771 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 1567225231 WMHDFHSADADARD-UXHICEINSA-N 429.948 4.632 30 10 IJEE N#Cc1ccc(SCC(=O)OCc2ccc(OC(F)F)c(Br)c2)cc1 1583393005 DGQUHSBAAGBQRT-UHFFFAOYSA-N 428.254 4.758 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cl)c(I)c1)c1ccc(Cl)cc1F 1583579524 SFNGWMQVADHICY-OAHLLOKOSA-N 448.062 4.841 30 10 IJEE COc1ccccc1-n1ncc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c1C 1584393809 GUVGCIQQMLCIHJ-OAHLLOKOSA-N 442.441 4.763 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21)c1ccc(Br)cc1 1584709350 ZYNLJCRLRXKECK-GDAAHCPNSA-N 445.154 4.588 30 10 IJEE C=CCCC1(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CCCC1 1586149715 WTPGZCQAJYKSFG-UHFFFAOYSA-N 431.621 4.546 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC(C)(C)C(C)C)ccc1Cl 1586764984 XTTPGSWMEVQCJI-UHFFFAOYSA-N 434.989 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCCC1 1587679300 ZSHWJXYKNGBBQB-OALUTQOASA-N 446.064 4.804 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCc1cccs1 1587712220 PSSFNNWUUOYSFF-UHFFFAOYSA-N 430.581 4.879 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1Cc1cccs1 1587830951 DTJLAQIYSPMKJU-LJQANCHMSA-N 436.581 4.649 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C(C)C)C2CC2)c1 1587841298 LRPSSAFWSXIBDB-JOCHJYFZSA-N 447.000 4.886 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1588310184 SZLXLBFRBAZMEA-UPVQGACJSA-N 429.568 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CC(C)C)C1 1589502851 AFIPYTHBHYZCAV-QFUCXCTJSA-N 429.996 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@](C)(O)C1CC1 1589687955 VEQQKUOIKDRRLE-NRFANRHFSA-N 439.387 4.727 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCn1cc(C)cn1 1589694691 QEVIOORDTYFYLC-UHFFFAOYSA-N 431.009 4.831 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 1593717379 FWXPHJJPOYKGEO-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 1594128178 MVHBFDORAWOKIF-UHFFFAOYSA-N 443.473 4.784 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1594504597 YGMUUNDHKGKKOE-UHFFFAOYSA-N 428.577 4.508 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(C)no2)CC1)c1ccccc1 1594534545 MBOGYUGOWIDOLS-REWPJTCUSA-N 448.615 4.770 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1594591229 OSCONSHJMBEINB-OAQYLSRUSA-N 437.975 4.798 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1594744161 KJNKSBDNXBCQIF-UHFFFAOYSA-N 436.629 4.837 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1594744262 MNZLBBAIJGUWGI-OAQYLSRUSA-N 433.556 4.589 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1595065673 VUNMJFLCIDHBCE-AREMUKBSSA-N 438.616 4.960 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1C1CC1 1595070680 JFCHKPGRFBRXLA-JOCHJYFZSA-N 437.632 4.794 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC=CO1 1595075637 JFEPOKJBFNCGER-QFIPXVFZSA-N 431.540 4.542 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCc1sc(C)nc1C 1595196419 RVKSVOYPHXLLOC-UHFFFAOYSA-N 430.581 4.988 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)c(F)c1 1595251606 VGYCRPHTZKMXAR-UHFFFAOYSA-N 435.478 4.803 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2OC)cc1OC 1596974046 OQNSGIQVRFRELL-RUZDIDTESA-N 433.504 4.797 30 10 IJEE CC[C@@H](Oc1cccc(/C=C2/S/C(=N/c3ccc(C)cc3O)N(CC)C2=O)c1)C(=O)O 1614236221 CFCOUKDOPOBQGN-JKIXGSDPSA-N 440.521 4.567 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1Cl 1621998623 HNSVLNPEJYGPOI-FQEVSTJZSA-N 432.332 4.522 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 1622268857 CYPYABMVLWJBLF-GFCCVEGCSA-N 434.842 4.742 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)OCC 1624304068 QOJLUYFFBSSOHS-GOSISDBHSA-N 428.510 4.682 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1624414524 FAUTZHFSEOHKDJ-RUZDIDTESA-N 440.609 4.933 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccccc2F)C[C@H]1C 1625539267 UMTYYESALYJYLV-OAHLLOKOSA-N 448.336 4.896 30 10 IJEE C=CCc1cc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC 1630466154 UEMNRRPSEYQRJN-UHFFFAOYSA-N 448.485 4.982 30 10 IJEE Cc1cc2c(NC(=O)c3cccnc3Oc3ccc(Br)cc3)n[nH]c2cc1C#N 1632033036 APDIGIAXNSGEJY-UHFFFAOYSA-N 448.280 4.945 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1OC 1633005538 YTXWLEYKMWTBLM-QGZVFWFLSA-N 431.357 4.895 30 10 IJEE C#CCC1(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCCC1 1635707722 CBUBVVXILNXWPX-BMRADRMJSA-N 432.636 4.572 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccnc2SCC2CCCCC2)CC1 1635881608 BEJQPZHJFGKWKW-UHFFFAOYSA-N 438.572 4.727 30 10 IJEE C#C[C@@H](NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1636312796 RZONWESXKXOAGG-XXBNENTESA-N 430.907 4.710 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)cc(C=O)c1 1638815249 SEVTVEKLDQVJAI-UHFFFAOYSA-N 439.103 4.841 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 1645353696 MUZSROXLBYFVHU-AUSIDOKSSA-N 426.582 4.969 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)cc2n1 1646449834 CGYACDCYSDOKPS-RUZDIDTESA-N 427.504 4.864 30 10 IJEE C=C(C)CCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1657618906 OOESQLZRAFPSCC-UHFFFAOYSA-N 431.558 4.597 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C 1657932787 XOHONIPABDKPLW-AWRGLXIESA-N 440.632 4.625 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)sc2ccc(C#N)cc12 1663203304 AXPXCKIPHPKXSN-INIZCTEOSA-N 428.432 4.802 30 10 IJEE Cc1ccc(-n2ncc(NC(=O)NC3CCN(c4ccccc4C#N)CC3)c2C(C)C)cc1 1668788008 DHZNYGTYVGRPSY-UHFFFAOYSA-N 442.567 4.966 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CC1 1669165844 GHSCGAHEJOSERQ-UHFFFAOYSA-N 444.866 4.568 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 1669276189 JGOAALFUILZLCG-QFIPXVFZSA-N 441.959 4.522 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)cc1C#N 1669598443 FCWUPVVYYFQMIH-GOSISDBHSA-N 449.555 4.912 30 10 IJEE C#CCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCCc2ccccc21 1669653618 HWDAJBDHQMOKMU-JOCHJYFZSA-N 429.911 4.942 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 1670689730 CDBKKLZUMRHQJO-IBGZPJMESA-N 425.414 4.962 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 1672205833 BIXWTWWISDBCJV-UXHICEINSA-N 428.374 4.514 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc1 1673820081 RVXQUUSUMXFUJJ-FGZHOGPDSA-N 446.595 4.628 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Br)c(Br)c2)cc1 1673914592 CBCSHUZEQIPOGY-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 1677148988 NSSZMTWTSVBRTI-VSKRKVRLSA-N 445.604 4.656 30 10 IJEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@@H]1CCCc2ccccc21 1678459977 RLTAEQPPWUDPSX-RBBKRZOGSA-N 427.589 4.648 30 10 IJEE C#CC[C@H](NC(=O)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1679189933 HXILJGTZAKDYQN-YADHBBJMSA-N 439.600 4.868 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1683106641 KVQHAODFPOHEMK-QHCPKHFHSA-N 449.595 4.966 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 1685817656 TWDHRSZQSHMRSH-WMLDXEAASA-N 437.428 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1cccs1 1689839001 BNDQIZFJWFWBMY-CYBMUJFWSA-N 433.350 4.609 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCO[C@@H]1CCCC[C@H]1C 1689949828 TVBJVJNBOSUAIY-DNVCBOLYSA-N 449.368 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1690051359 XAFZCHDNTVEYNY-DHLKQENFSA-N 449.668 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCCCC1=O 1690258452 GPCQKAOESHZELW-UHFFFAOYSA-N 429.996 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)OC(C)(C)O2 1690268319 GJESQSKCWQMDPY-UHFFFAOYSA-N 439.585 4.592 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1690287730 QTQFZLMLOLZOER-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2ccsc2)CC1)c1ccccc1 1690321412 AYICTTQTFKHVRA-IBGZPJMESA-N 449.624 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCS2)CC1 1690366074 PQAVAXNHHCXRBC-OAHLLOKOSA-N 437.382 4.899 30 10 IJEE C=Cc1ccc(CCn2c(Cc3csc(C)n3)nnc2N2CCC(CC#N)CC2)cc1 1690392936 OCUXJEIKUKALRR-UHFFFAOYSA-N 432.597 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1690428119 FCXBAXJIKCDOLN-SANMLTNESA-N 431.584 4.657 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)OC(C)(C)C1 1690497384 OPEPWLROPVOLLN-FPOVZHCZSA-N 442.604 4.631 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCc2cccnc21 1690517919 UECUBRFODQREMT-SFHVURJKSA-N 425.483 4.684 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCc1sc(C)nc1C 1690616000 ZZPVELIJHWLVHN-UHFFFAOYSA-N 431.993 4.553 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)SC)C1 1690686730 SPGPPRBMVTZZHL-UXHICEINSA-N 444.645 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC2=CCCCC2)C1 1690691576 GYBBDSXAUNYWKY-OAQYLSRUSA-N 438.572 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC(C)CC1 1705668216 HEAZDMONEQAMKF-WNCULLNHSA-N 449.643 4.759 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)CCCCc1ccccc1 1705686424 YNDKPYFZPOZJJW-IBGZPJMESA-N 433.394 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCOc1ncccc1F 1705716597 PCJBYEDTHFJLDA-UHFFFAOYSA-N 429.927 4.538 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1705779573 OCFWTPVVFDDPIC-UHFFFAOYSA-N 443.498 4.724 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(CN2CCCCCC2)CC1 1705795822 RTDRGLIMHLIVID-JOCHJYFZSA-N 429.653 4.824 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1705814369 MYVLWNJPOMJLRG-GOSISDBHSA-N 438.557 4.968 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)[C@@H](C)CC 1705870428 IIHHKXOAECCBAM-HRAATJIYSA-N 433.394 4.683 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@](C)(O)C1CCCCC1 1705882254 QQTURWFBYQKRBM-RUZDIDTESA-N 438.572 4.661 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722325875 CCAWMDGXWQKLOX-WMQCIHAUSA-N 428.552 4.610 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](c1ccsc1)N(C)C 1722348338 XLKJODNEUJQLHH-GOSISDBHSA-N 434.396 4.686 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1sccc1C 1722379182 GHOXWCBXDCCIQC-UHFFFAOYSA-N 434.634 4.961 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1722529057 UIKRJONPXPFMHX-UHFFFAOYSA-N 436.556 4.795 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722530017 KNOSENAMMZFAFI-GOTSBHOMSA-N 449.599 4.726 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCNc2ncc(Cl)cc2Cl)CC1 1722578213 CLOGPUXQEWKUQX-UHFFFAOYSA-N 444.370 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722588598 AYOFUTYVPLCEEQ-JOCHJYFZSA-N 432.616 4.783 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(F)(F)F)n1 1722599614 YPKYXBBTMSVJNQ-QGZVFWFLSA-N 437.510 4.817 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](COCC)C1 1722607467 VAUQSHVTTGEZNW-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1722636452 KXLHCLPNBXPXPY-UHFFFAOYSA-N 448.354 4.725 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)c1ccccc1 1722694158 MWQBKORFFFPVOM-QZTJIDSGSA-N 449.624 4.631 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@@H]2C)C1 1722713390 BBCFJXSVKAVFPN-RCCFBDPRSA-N 445.405 4.925 30 10 IJEE Cc1nc(CCn2c(CSc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)cs1 1725489440 AVBBPLSGUYBDDK-AWEZNQCLSA-N 447.033 4.827 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1nccs1 1740540857 ZWPBOCDIJSJFEF-INIZCTEOSA-N 425.627 4.823 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740596657 CUFPVPWYAQGEDK-NRFANRHFSA-N 434.613 4.540 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740681942 GPYCBBSDBIBTGL-WKCHPHFGSA-N 438.616 4.532 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(C)C)C1 1740748067 FYFUUAUJBPCCNU-SFHVURJKSA-N 433.394 4.947 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1740749871 GSSWJABTPLZJGS-BLLLJJGKSA-N 427.293 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCCN1CC 1740776700 YOBOSXJWTNCGOR-QFIPXVFZSA-N 425.621 4.751 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCn1ccnc1C 1740777418 ZJBJRDPUQMDBCW-UHFFFAOYSA-N 436.604 4.762 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1740796825 IIKICVKLPBADDH-GOSISDBHSA-N 436.572 4.953 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 1740833443 QBUSJSIXIXBRFQ-NQSCKRDGSA-N 428.552 4.662 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740847859 WDSCBDZKBYYIBD-NRFANRHFSA-N 433.604 4.906 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1740862484 UPMWELXTMBXECS-KRWDZBQOSA-N 437.544 4.568 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1 1740926367 ZZVQVZKPTIYREZ-MRXNPFEDSA-N 436.423 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CSCCS1 1740933699 CFVDKWPQRLSYSW-GOSISDBHSA-N 437.034 4.538 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC2(C)C)C1 1740978447 VDDFCTNVDKCBSS-HOTGVXAUSA-N 431.378 4.535 30 10 IJEE Cc1cscc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H](C)C#N 1742541379 FDPUUQOOERRSOS-GFCCVEGCSA-N 448.365 4.861 30 10 IJEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1747778429 FMDBMZFYOKHRHF-YADHBBJMSA-N 433.556 4.887 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H](c1ccsc1)N(C)C 1749162656 UATVEZBOUWTVIG-NRFANRHFSA-N 427.593 4.775 30 10 IJEE COCC(C)(C)CCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](F)(C#N)C1 1749264502 DFCZLESJLOBOTG-HSZRJFAPSA-N 425.508 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1749377075 KSBOMENMIZRGPA-UKDJSQQHSA-N 430.637 4.936 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1749397068 OTUBIDNJVPWILY-OAQYLSRUSA-N 446.599 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)NC(=O)OC(C)(C)C 1749474016 INBXMPYUZAIQKW-CYBMUJFWSA-N 440.375 4.787 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCCS1 1749499855 QAAKAYUKMDYHQT-QGZVFWFLSA-N 437.407 4.528 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@H]1C(=C)C 1749532550 XLKUHXVFSNJBNQ-VWNXMTODSA-N 443.551 4.892 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)c1ccc(F)cc1 1749554794 ZPVUGWGTEOSRQO-MJGOQNOKSA-N 426.561 4.979 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1OC 1749584743 PYPOEKZVXVRMOQ-UPVQGACJSA-N 431.584 4.699 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H](OC)C(F)(F)F 1760104302 WDNHXTVXLQIZSD-SUNYJGFJSA-N 440.535 4.557 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1760156536 KAAFINBGTZKQNT-NRFANRHFSA-N 444.526 4.604 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](c2ccco2)C1 1760276696 MEBLQOWDFFKGFB-INIZCTEOSA-N 442.972 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccsc1)N(CC)CC 1760294520 ZJLRWGBJTWBJRT-YZUZCNPQSA-N 441.645 4.656 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCc2nccs2)CC1 1760384792 HFQPRANZIVPLCH-UHFFFAOYSA-N 444.402 4.953 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCSCC)CC1 1760387401 MMLGAWSQPVDMKP-IBGZPJMESA-N 449.665 4.692 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1760418513 UBBYEBWXQMTJIE-NRFANRHFSA-N 447.549 4.980 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N(CC)Cc1cnn(C)c1 1760422220 CPBFKBRTHMKKLK-UHFFFAOYSA-N 443.393 4.824 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCSC2(CCOCC2)C1 1760442859 VZKVNYSSEWZJAH-UHFFFAOYSA-N 442.629 4.543 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1CSC 1760561761 LKFTUAPABZAZJK-MRXNPFEDSA-N 439.050 4.858 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1760564954 KXQMRYXQNSIBPE-FQEVSTJZSA-N 425.646 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(SC)c1 1772522767 GVDKMKWUKMXFEI-JOCHJYFZSA-N 441.963 4.895 30 10 IJEE CC(C)Oc1ccc(CC(=O)Nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2)cc1 1859132776 TWJCBQFQFWYJMX-UHFFFAOYSA-N 427.504 4.708 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccn(CC)c1=O)c1ccccc1 1861278238 XDCTVQORDAORHN-HSZRJFAPSA-N 439.600 4.596 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(OC)c1 1862524319 BVZZTHIWORRUEF-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862557529 MOPDAXVDGBUFQW-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE CN1CCCc2cc([C@H]3C(C(=O)c4cccc(N)c4)=C(O)C(=O)N3C3CCCCC3)ccc21 1862565060 OKSVIPXUHSHMBJ-DEOSSOPVSA-N 445.563 4.562 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862598894 ZWRVDQVPDXDTMZ-HSZRJFAPSA-N 447.462 4.709 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc2ccccc12 1862609867 WXSGPAGIDHTDQO-QHCPKHFHSA-N 429.472 4.598 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC)c1 1862644456 LSYWYAOYPDOWRG-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2C(=O)O)cc1 1862664718 PTAIJBCJSOGDOF-JOCHJYFZSA-N 445.471 4.880 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862669381 UVRFCQMMQLZCNS-XOBRGWDASA-N 447.453 4.788 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2C)cc1 1862698253 DYCMXDLGJOVZJC-XMMPIXPASA-N 443.499 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 1862739025 OPYSPAYVOCFJFU-LJQANCHMSA-N 426.856 4.769 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(C)ccc2C)C1=O 1863401613 COMXNXZYLIJAAQ-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871448527 SVRXNVCYUDKBCA-GNKPEBMXSA-N 434.404 4.518 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(F)c1)C2=O 1871459317 RAWDOZGBILLDOE-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872152554 UYYCXGWNXBVOPM-WMZHIEFXSA-N 444.597 4.706 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872267825 MLHTZOANMXVDNG-JPYJTQIMSA-N 428.598 4.842 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760599 SRAORDNXKYMUHD-AWEZNQCLSA-N 428.813 4.770 30 10 IJEE CCCCCCCCCCNC(=O)c1ccc(CN2CCN(c3ncccn3)CC2)cc1 1872880650 BYPSXDKOXGQGTA-UHFFFAOYSA-N 437.632 4.669 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)Nc2ccc(I)cc2C)c1C 1874183431 HOFKLRAVLUPATQ-UHFFFAOYSA-N 437.325 4.560 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(OC)c(O)c1 1874225356 GXZBJZNXCHHGAE-BUVRLJJBSA-N 440.569 4.615 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874235706 WJPDGFGJLPGASB-WGOQTCKBSA-N 445.548 4.825 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1c(F)cccc1Cl 1874275206 ZFKYQVDFAKQWCV-AKRDWEBESA-N 449.983 4.735 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1 1874379666 FUKYGAPXXOREBY-YZSQISJMSA-N 432.524 4.931 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874417518 MNHWJPHVBFGLPZ-CVKSISIWSA-N 446.507 4.881 30 10 IJEE COCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874499309 NBBCSCMQHKQENO-YDZHTSKRSA-N 439.541 4.805 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)NCc1ccco1 1874608287 GLRVXSYDBGPEHX-PKNBQFBNSA-N 439.895 4.923 30 10 IJEE COc1ccc(-c2cc(C(=O)NCC#CCN(C)Cc3ccccc3)c3ccccc3n2)cc1 1891806557 RCLQHFATDXJDOA-UHFFFAOYSA-N 449.554 4.776 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1892137226 ZNCJEULGBMHPJC-SFTDATJTSA-N 427.957 4.552 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2F)NCC)C1 1892685393 ZDPSGLGHGCUWLN-KRWDZBQOSA-N 427.358 4.722 30 10 IJEE C#Cc1cc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OC 1903072812 PFESDOXJOURRCI-KRWDZBQOSA-N 440.499 4.542 30 10 IJEE C#CC1CCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CC1 1962741933 ZCTXCCRBOIZGDH-NIYFSFCBSA-N 444.575 4.812 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3cc(Br)c(Cl)s3)C2)OC1(C)C 2052394931 ADLXUAPRSIPYBS-SNVBAGLBSA-N 434.592 4.862 30 10 IJEE N#C[C@@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCNCC1 2071260668 KUACRQPVIUPSQK-VWLOTQADSA-N 427.548 4.705 30 10 IJEE CCNC(=O)c1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079196056 BITGGFGFODDNNM-UHFFFAOYSA-N 448.136 4.561 30 10 IJEE CCc1nn([C@@H](c2ccc(OC)c(C)c2)C2CCC2)c(I)c1C#N 2079935457 WXTSHVLMFWDGCS-GOSISDBHSA-N 435.309 4.628 30 10 IJEE N#Cc1cc(F)c(NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)cc1Br 2086060985 RSNWMPWNIMPTBQ-QOSBUDKSSA-N 444.304 4.719 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1cc(Br)cc(F)c1C#N 2118151287 OADWNMBUGGDELV-PXAZEXFGSA-N 426.330 4.542 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2118192888 UMHYNYZFQHYGNO-TZMCWYRMSA-N 426.330 4.732 30 10 IJEE C=CCC1(Nc2nc(Br)ccc2OC)CCN(C(=O)OC(C)(C)C)CC1 2119593238 CSBZNQLDMQYAOY-UHFFFAOYSA-N 426.355 4.610 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(F)cc2Br)NC)C1 2126681927 BHGWYOFJMHVDAO-QGZVFWFLSA-N 427.358 4.580 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132674834 DAYRTEVPNAOJCB-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2cc(Br)cc(C#N)c2)(C(F)(F)F)C1 2167679378 UFPTWOAQYQSSOK-KRWDZBQOSA-N 448.283 4.922 30 10 IJEE CC[C@](C)(C#N)C(=O)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2174819171 IWSVPPSVLOHXNC-HXUWFJFHSA-N 438.366 4.637 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2ccc(Br)c(C#N)c2)CC1 2180959668 GQQXUBOOISVPIF-UHFFFAOYSA-N 436.350 4.590 30 10 IJEE CCCN[C@H](C#CC(C)(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2213312702 CGKGGDIVAATPMI-GJZUVCINSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@H](N)C#Cc1ccccc1Br 2235727270 KDQLCDFLSRYNOD-HXUWFJFHSA-N 429.358 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@@H](O)C#Cc1ccccc1Br 2235739199 GMVVDKAZUDOZRB-UGKGYDQZSA-N 430.342 4.602 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239649101 DSJPJKNFRVMRCA-MJGOQNOKSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N(C1CCC1)C1(C#N)CCC(NC(=O)OCc2ccccc2)CC1 2241910833 WRUWUKVMWHHSCN-UHFFFAOYSA-N 427.545 4.907 30 10 IJEE O=C(C#Cc1cccc(Br)c1)c1cc(Br)c(Br)o1 2264122637 WINBDIZKAQVLFS-UHFFFAOYSA-N 432.893 4.802 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 2296179591 IHUUHOKTRCGFBS-QHCPKHFHSA-N 429.472 4.639 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296224980 PSNNPXVFNVRVPW-QXAKKESOSA-N 435.406 4.718 30 10 IJEE CC(C)c1ccc([C@H]2C(=C(O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 2296256001 IPOKILIXETWYSI-QFIPXVFZSA-N 446.459 4.933 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2cccc(Br)c2)CCC12CCC2 2296274642 VUVHKTVLXZSQJS-HKUYNNGSSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2296284257 OWHOVAGIIQTECW-FAGZOMQFSA-N 433.390 4.602 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296289753 VDUJQOIJLNMSBK-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2296291003 JSIWVURYYRQYPR-JKSUJKDBSA-N 449.311 4.577 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2296291616 QNNBDQCIDUSSLE-UXHICEINSA-N 435.406 4.720 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 2296303107 RHRJXGLQXPZOIR-BJLQDIEVSA-N 435.406 4.720 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 2314478884 XSYOSIOSMUVCIK-RUZDIDTESA-N 440.499 4.658 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1ccccc1Br 2318789038 XMACRTXBBAFRGB-UHFFFAOYSA-N 427.067 4.572 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2322698439 VFSYAJFHTDHJAE-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE C[C@@H](NC(=O)COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 2323098324 VHLLOLBYEIEUKA-GOSISDBHSA-N 430.460 4.747 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1OCC(=O)Nc1nccs1 2323126358 CFMJTLDGVPYYAG-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE O=S(=O)(NN=Cc1c(Cl)ccc(Cl)c1Cl)c1ccc(Br)cc1 2323353327 QHVFBPQNQUMFGX-UHFFFAOYSA-N 442.549 4.722 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OCC(=O)N(CC)CC 2323510902 YXLXQZPAEMIAGU-UHFFFAOYSA-N 437.536 4.576 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2OC)c(Br)cc1OC 2325743166 VRQAPIGTHXDNCQ-UHFFFAOYSA-N 433.298 4.986 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)cc1 2328567377 SMQGVWZCGRKRBE-UHFFFAOYSA-N 431.565 4.781 30 10 IJEE Cc1ccccc1CCc1nnc(SCCCO)n1N=Cc1ccc(C(F)(F)F)cc1 2329507286 SQINVKZZJCSUAM-UHFFFAOYSA-N 448.514 4.747 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C(F)(F)F)cc1 2330880963 KBLGHHUWIKXKSG-UHFFFAOYSA-N 442.507 4.813 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)c1 2330920399 PRRURYQYQJVJDW-OAQYLSRUSA-N 438.553 4.630 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1 2331063954 WDONXNXCGSOKDH-UHFFFAOYSA-N 429.188 4.822 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 2331071739 IAFXSZSUHXTUIH-UHFFFAOYSA-N 448.431 4.512 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339539749 MHGASQMNVOPSAI-GOSISDBHSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339602238 HSOMTCNHUAZMDZ-GOSISDBHSA-N 444.381 4.893 30 10 IJEE Cc1cc(CNc2cccc(I)c2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649229 DVHJPSXIGOPEEJ-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE CC#CCN(C[C@H](Cc1cc(F)cc(Br)c1)NCCC)C(=O)OC(C)(C)C 2363126875 APHZRFUWSHRNGF-IBGZPJMESA-N 441.385 4.759 30 10 IJEE CC(C)n1cc(Br)cc1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368334710 CEHIOIMLWPSJEB-LJQANCHMSA-N 425.176 4.530 30 10 IJEE O=C(/C=C1\S/C(=N/Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 20509771 WIFGYCCMPQJFHL-YEVPVSBLSA-N 445.519 4.980 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1 34955416 DBGWDADQICFOOT-LFYBBSHMSA-N 448.471 4.836 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2ccc(F)cc2)CO3)C1=O 41653564 CJNZAKXKXBFHEZ-OYKKKHCWSA-N 431.463 4.845 30 10 IJEE COc1ccc(Cc2nc3sc4c(c3c(=O)n2Cc2cccc(C#N)c2)CCCC4)cc1 96529717 SJYJGYQTCKGOLQ-UHFFFAOYSA-N 441.556 4.856 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 135880892 IFEISEQKZYBYCE-UUYOSTAYSA-N 445.932 4.975 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 170059229 ZPZMUKPSWAABPQ-HSZRJFAPSA-N 432.907 4.833 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 170060352 XXQKZSSVRZRWFC-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2C)cc1 170086358 OKZQVLUJORMQTP-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)cc1C 170200893 UBVHZLRVMWWTTE-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170223556 VPQCRMDSUAETTO-HSZRJFAPSA-N 429.447 4.934 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccco1 170292822 WZLIUMUAIFXQKM-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC(C)C)o1 170310502 SIFJKOCBXQRIHN-HSZRJFAPSA-N 437.536 4.860 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1O 170322802 JSMPSBXKWFFJIR-DEOSSOPVSA-N 447.531 4.801 30 10 IJEE N#Cc1cc(F)cc(CNc2cc(I)ccc2Br)c1 311989787 VKFGTTVALLRTFX-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 437034877 INFILSMUDCSPHV-QGPMSJSTSA-N 427.957 4.593 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 437476306 QZIBEVQJNDOFIZ-UHFFFAOYSA-N 446.438 4.659 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 446633812 AKILLEJCMUJQFE-UHFFFAOYSA-N 443.551 4.714 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 460960402 RMFBYRLYSHFBPM-HNNXBMFYSA-N 441.942 4.624 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(Br)cc1OC 469097571 QTEMMPLUBAFJGL-HNNXBMFYSA-N 428.330 4.788 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(Br)cccc3SCC)cc2C1=O 484896278 WJKGXJUDXYUPEX-UHFFFAOYSA-N 445.338 4.595 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(F)(F)F)C1 508854496 CYXXOLPEASGKBY-LLVKDONJSA-N 433.247 4.811 30 10 IJEE COc1ccc([C@@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490755 PEUQOWMHGHVLLQ-XMMPIXPASA-N 442.471 4.641 30 10 IJEE N#Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(OCc4ccccc4)cc3)C2=O)c1 526655502 OAIZDRNXRNQWHI-UHFFFAOYSA-N 429.863 4.573 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 531869493 JRBOQABZKPUOSO-IBGZPJMESA-N 434.536 4.721 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC2CCCC2)CC1 549272078 ZFBNXVBJFPFACU-UHFFFAOYSA-N 425.533 4.605 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 549301770 CINXZUBNVOILRC-OAQYLSRUSA-N 449.599 4.567 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC2(CC1)OCCc1ccsc12 555273084 QCVSBVSXALEYEP-NRFANRHFSA-N 448.592 4.660 30 10 IJEE C=CCC1([C@@H](Cc2sncc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722941728 VWDYOSWSVRIKGU-MRXNPFEDSA-N 444.439 4.630 30 10 IJEE C=CC[C@H](NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)c1ccncc1 734461200 XALGTGIDQJWIFL-ZGSOLVRCSA-N 433.533 4.541 30 10 IJEE CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741762061 FCTZHLGCGNSIID-UHFFFAOYSA-N 440.365 4.757 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1=S 742173544 ZAJZDTVGLBHSLX-KNQAVFIVSA-N 435.597 4.698 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(F)cc1 812875622 VMKKQULIFPAAQA-VGOFRKELSA-N 433.483 4.543 30 10 IJEE CC(C)CCOC(=O)CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1 1083971169 JOYJICPEALKKMS-UHFFFAOYSA-N 439.541 4.724 30 10 IJEE COc1cccc([C@@H](CNC(=O)/C=C\c2cn(CCC#N)c3ccccc23)N2CCCC2)c1 1086846546 MJAOWSGNUWEGCP-HTOVTZSWSA-N 442.563 4.530 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(I)c(F)cc2F)c1 1125821803 DNRJBMRLRWAUKQ-UHFFFAOYSA-N 429.204 4.777 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1)c1ccccc1 1126147629 HVHWXENUPFXXTL-RCZVLFRGSA-N 448.607 4.827 30 10 IJEE C#CC[C@]1(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)CCCN1C(=O)OC(C)(C)C 1127439002 WOPHEVKSBIDZAZ-OAQYLSRUSA-N 446.960 4.590 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 1136547654 FLSXOCQFWBIZQN-GOSISDBHSA-N 425.533 4.537 30 10 IJEE O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(C(F)(F)F)cnc1O 1154111793 NHPUAAVEVKNHBW-LLVKDONJSA-N 432.242 4.858 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCO[C@H]1CC 1161466013 MJVFGMPXTUSVOK-DSITVLBTSA-N 448.563 4.544 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1 1171799147 KUZGZPVDWHWOPE-OAQYLSRUSA-N 432.333 4.955 30 10 IJEE C=CCN(C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1)[C@@H](C)COC 1198631590 QVTLANDUIBXILN-AWEZNQCLSA-N 449.910 4.795 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nc(Sc3ccccc3)ns2)cc(OC)c1OC 1215702084 FCBFWBVRSBIWFP-UHFFFAOYSA-N 442.566 4.757 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](COc2ccccc2)C1 1219084595 RZPPVUQVUJSCAI-INIZCTEOSA-N 431.330 4.947 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1231221476 NEFFRZUCKPCYPG-RTWAWAEBSA-N 443.588 4.552 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(-c4ccc(F)cc4Cl)n3)cc2C1=O 1274000664 HLIBPVHWFBUVHI-UHFFFAOYSA-N 435.842 4.575 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1286328124 MYDSDFPSDZHYQF-RSXGOPAZSA-N 443.595 4.672 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1286438156 QUMJEGSVUKNWFN-REWPJTCUSA-N 449.624 4.558 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1286537811 DNBXPUWFAZBWDA-NRFANRHFSA-N 444.377 4.730 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]2CC[C@@H]21 1286547422 LGJZCGADHZPUJY-SJORKVTESA-N 447.377 4.543 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1286571875 SOYIWZGCYNYUBP-QHCPKHFHSA-N 432.616 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1286584200 ZOECMPPUQNWTHO-XMMPIXPASA-N 442.535 4.516 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H](OCC)C(C)C)CC1 1286643594 OSJAHQLIDWKVES-NRFANRHFSA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286682715 URAXWDMCVDKTCW-GOSISDBHSA-N 429.012 4.660 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1286703200 FBJPLTLPSBSGOV-JOCHJYFZSA-N 431.943 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC(F)(F)C1 1286745188 TVKLRIARPPIMNS-ACRUOGEOSA-N 446.542 4.630 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@H](SC)C2)cc1 1286795464 BNVFILZOMIYXPG-IRLDBZIGSA-N 442.629 4.507 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2c(Cl)cccc2OC)C1 1286811909 JVMNMDALDVJABQ-SFHVURJKSA-N 430.980 4.502 30 10 IJEE C[C@H](C[C@@H](C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1)NC(=O)OC(C)(C)C 1299875058 ATLSNHMIJXWKBG-QZTJIDSGSA-N 437.540 4.559 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC1(CC(C)C)CC1 1300516873 UBFHLQMPUAWJFF-UHFFFAOYSA-N 431.403 4.668 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCSC1 1300557179 QHCZDVVIKFPJFU-FGZHOGPDSA-N 436.625 4.641 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCC(C)(C)C1CC1 1300650843 YMCDIQMHGXOUIC-UHFFFAOYSA-N 431.559 4.869 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(-n2ccnc2C)nc1 1300901099 LGTHHRGPYWHAKT-UHFFFAOYSA-N 447.974 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)c1cccs1 1300909360 QFSYSCDLKHJPJX-DEOSSOPVSA-N 448.596 4.502 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC2(CCCCC2)C1 1300934800 CJGQEQIOZRFZIP-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1301158514 HUNSRMZDUWOWNN-NBGIEHNGSA-N 442.579 4.666 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cccs1 1301351635 XGFFRAVLQBTLEJ-XMMPIXPASA-N 449.555 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CC1(N(C)C)CCCC1 1301371700 FMLOHWWBYGIQNS-UHFFFAOYSA-N 444.421 4.760 30 10 IJEE C=CCSCCn1c(N2CC(C)(C)OC[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1301621104 QVLZJDPUHUZNQC-IBGZPJMESA-N 426.630 4.671 30 10 IJEE CSc1cc(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@@H](C)CC#N)ccn1 1302636105 GCLLCBSVNRCWDS-KRWDZBQOSA-N 443.580 4.705 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1310076122 HYYOSMRMQSFVDM-DVECYGJZSA-N 432.568 4.576 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)cc1 1310165628 IERAFEXZSVGPDU-RCZVLFRGSA-N 427.504 4.671 30 10 IJEE CO[C@](C)(Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N)C1CC1 1315142497 DUNPOUFZMDHMBC-PBPSECFOSA-N 427.618 4.685 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1353386496 HDIZWMFZMYMGGE-UHFFFAOYSA-N 439.021 4.723 30 10 IJEE Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Sc4ccccc4C#N)cc3)C2=O)cc1 1354584093 IECHUUMSZQCCBZ-QHCPKHFHSA-N 441.556 4.943 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@H](C)C1 1358982538 APFONZALFLAFSX-DLBZAZTESA-N 431.367 4.673 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1csc(CC)n1 1358986502 XZFVWRYXVAZOAJ-HXUWFJFHSA-N 447.608 4.565 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1C 1359013239 QKTAVXNEMKZXKY-DLBZAZTESA-N 431.378 4.515 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC[C@H](OC)C(F)(F)F 1359016397 AWYLGDVBSAHMNM-IBGZPJMESA-N 438.469 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1ccc(OCCC)nc1 1359072530 HFSKUICTGGRQCW-HHHXNRCGSA-N 443.595 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCc2cccnc21 1359116570 QDRLIHDHNUAJBT-OAQYLSRUSA-N 447.583 4.783 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)c2nccs2)CC1 1359160375 SJTXEOMTDDFMAF-DLBZAZTESA-N 427.549 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359185848 LNRGPXKMXIXINM-LJQANCHMSA-N 425.577 4.651 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ncccc1C 1359197098 CWCPHKQDNPRMSD-HSZRJFAPSA-N 433.556 4.725 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN1CCC 1359260581 IYOWZFOBAWAWHH-GMAHTHKFSA-N 441.595 4.726 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1CC 1359343744 ZSDYBVFCWUUQHK-LJQANCHMSA-N 449.665 4.691 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCc1nc(C(C)(C)C)cs1 1360477847 BZTMFEZFGQIUSZ-MRXNPFEDSA-N 440.592 4.743 30 10 IJEE Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1436067780 GXPPWNVTSXKPQQ-GOSISDBHSA-N 425.960 4.760 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 1436213971 OMNSYPYABXLBKT-HXUWFJFHSA-N 432.609 4.794 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCC(=O)c1ccc(Cl)cn1 1442975470 YYRJKYVJGHCTTI-UHFFFAOYSA-N 439.712 4.814 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)c(OC)c1 1448633942 YNBBTCDYVNKOMG-QAQDUYKDSA-N 448.332 4.767 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 1454658442 ZBZCOJSTKCPUBF-INIZCTEOSA-N 432.870 4.626 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)[C@](N)(c3cccc(F)c3)C(F)(F)F)cc2)c1 1457622238 GDBSQQYGHCVHKF-OAQYLSRUSA-N 429.373 4.845 30 10 IJEE CN(CCOc1ccccc1C(C)(C)C)C(=O)COc1ccc(C#N)c(Br)c1 1459662154 HBHFTNKAJVOAKF-UHFFFAOYSA-N 445.357 4.534 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](Nc3ccccc3)C2)n(-c2cccc(F)c2)c1C 1459690863 AMHXBHSPKKBEID-QFIPXVFZSA-N 445.542 4.620 30 10 IJEE C=CCn1c(SCC(=O)N2CCCSC[C@@H]2C2CC2)nnc1-c1ccc(Cl)cc1 1463130093 UYEPGFDNSZFZII-GOSISDBHSA-N 449.045 4.621 30 10 IJEE CCN(Cc1cc(F)ccc1Oc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)nc1 1464390279 ANHWTIATLRAPEZ-UHFFFAOYSA-N 445.903 4.749 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1468760374 RRASKVYCPNBKCU-FCHUYYIVSA-N 429.605 4.947 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1 1469963690 SXRLXISVSIOELX-OKZBNKHCSA-N 448.158 4.741 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC(F)(F)C1 1504444203 ARQHQKRLUIZDNG-CVEARBPZSA-N 435.544 4.610 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](CC(C)C)N(C)C 1507665218 ZIFPMJRSCSCCHD-LJQANCHMSA-N 446.426 4.691 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC(=C)Br 1507677184 VABYCQZTAYPUKX-UHFFFAOYSA-N 449.805 4.595 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1507837087 IIEAFMXVQPAWMK-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC1 1507838595 FNKNGDHENLCMPN-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1507847843 LSGJPUGTRYFFNF-OAQYLSRUSA-N 446.542 4.630 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@]2(CC=CCC2)C1 1507849072 UNDFRCKVBYLARE-RUZDIDTESA-N 440.563 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1507911715 OLERBKFKQXAQFZ-LJQANCHMSA-N 427.593 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1507919207 MEYWRBCLFZWMRF-FCHUYYIVSA-N 438.616 4.939 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1Cc1ccc(F)c(C)c1 1508032435 GUBRTYYPUYCAKW-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1508832945 GRANZDPYVPWWSK-NRFANRHFSA-N 431.588 4.616 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2cc(Br)ccc2c1 1515551687 DSFLAPZXMCPJQA-UHFFFAOYSA-N 436.353 4.678 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])s1 1527292243 FPCBBRODIXSCQV-UHFFFAOYSA-N 425.963 4.798 30 10 IJEE C=CC[C@H](C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1)c1ccccc1 1529561949 YMARBXPLMCCCRJ-PCCBWWKXSA-N 442.353 4.524 30 10 IJEE C#CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 1531553467 NMHTYYLMOPXENS-MRXNPFEDSA-N 449.688 4.610 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N(Cc2ccccn2)c2ccc(Br)cc2)c1 1534427180 AUUIZAVLZKJEFX-UHFFFAOYSA-N 435.325 4.629 30 10 IJEE C=C1CCC(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)CC1 1537687188 WMSCUZRPVJOERH-UHFFFAOYSA-N 443.267 4.525 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1539134237 SZTDQSQADGWDDR-QHCPKHFHSA-N 448.567 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCO[C@@H]1CCOC1 1539656586 YRQTUFTWADNUIM-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)Oc1ccc(F)cc1 1539674611 ZHHBQYRSQWXLBH-IBGZPJMESA-N 448.546 4.526 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCC(C)CC1 1539953869 OQCGNCDYJNVMNJ-UHFFFAOYSA-N 430.618 4.720 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCCCC2)CC1 1540012978 GNLHONHQWFTOFS-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N1CCCC1 1540058427 VNNCDFNOKFLINP-LJQANCHMSA-N 429.927 4.790 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN(C)c2ccccc2F)o1 1542330284 DAWIABDZYVEROH-XMMPIXPASA-N 436.535 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(I)c(Cl)c1 1543381254 GKYUKKPOXJLNML-UHFFFAOYSA-N 441.696 4.782 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 1544706543 SNPANFKEIRUZDQ-SFHVURJKSA-N 438.490 4.550 30 10 IJEE C#CC[C@H]1CCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)C1 1560135744 ARALEQUFKDCENN-HNNXBMFYSA-N 430.957 4.529 30 10 IJEE C[C@H](c1ccccc1)N1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 1562155656 FGPQWWNNWOAZSC-GOSISDBHSA-N 431.565 4.516 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)cc(C(=O)OC)c1C)c1ccc(Cl)cc1 1562964385 XAZVLGDVYHBMPK-MRXNPFEDSA-N 435.705 4.694 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1)c1ccc(C(F)(F)F)cc1 1564407235 ZIXQHRGIBNKNKE-RTBURBONSA-N 437.506 4.659 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2ccc(CC)s2)CC1 1565811214 KHDUNSNIAYUWHR-UHFFFAOYSA-N 438.515 4.852 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C2CCCC2)c1 1568333078 DBENFBZWLHZLDV-QFIPXVFZSA-N 447.000 4.808 30 10 IJEE C=CC1(CC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)CN(C(=O)OC(C)(C)C)C1 1570290230 MAXHMEJQFFRWNX-UHFFFAOYSA-N 434.527 4.559 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)C1 1583390110 AKPPYTXLAXTZLP-QGZVFWFLSA-N 436.371 4.815 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1589421301 HUKJRVGIZWHJIV-KXBFYZLASA-N 433.394 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN(C(C)C)C1 1589676459 WOTLMTOWXIIXSW-NRFANRHFSA-N 434.632 4.873 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)c1ccccc1 1594533712 FQUXMKASGOYHNK-IRLDBZIGSA-N 434.588 4.912 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NC(C)(C)C)C1CC1 1595033576 LOJVKELTMBEPIC-UHFFFAOYSA-N 441.645 4.735 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1Cc1ncccc1C 1595149026 HVEAQXGLZDKCCV-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1595219457 VAJWTFGLPOWJIT-IBGZPJMESA-N 431.625 4.692 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1ccnc(N2CCCCC2)c1 1595244241 XEFOOTUUWJJIJL-UHFFFAOYSA-N 434.588 4.663 30 10 IJEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCC1(C)C 1595267644 YWZKJLREJULQJC-HXUWFJFHSA-N 439.604 4.612 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)c1nc(C)cs1 1595276324 ZEXOODGCHCUDNJ-INIZCTEOSA-N 437.569 4.899 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1595854642 IJLVVYUPYQXMSE-OAQYLSRUSA-N 443.661 4.858 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H]1CSC 1595871273 LUZDPRWBQLYLOP-GOSISDBHSA-N 441.626 4.851 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)N(C)C 1596798245 GLLANGCOGWIIOB-KKSFZXQISA-N 447.002 4.844 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCC(C#N)CC2)C1 1607455181 HBXNZDUJOXMWKG-RUZDIDTESA-N 448.659 4.561 30 10 IJEE C=CCn1c(Sc2nc(C(F)(F)F)c(Br)s2)nnc1-c1ccccn1 1612105879 LDXNQKVVDSMIBO-UHFFFAOYSA-N 448.293 4.915 30 10 IJEE CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)S/C1=N/c1ccc(O)cc1C(=O)O 1614234257 HKZMBIWXGYJLDJ-LRRLUYNPSA-N 428.897 4.837 30 10 IJEE Cn1cc(CN[C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1621244911 AWDIWYIXLSDABD-MDNUFGMLSA-N 449.599 4.617 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nc3c(cc2C#N)C[C@@H](C)CC3)s1 1623473905 CVXZXGXOJXJFEO-NSHDSACASA-N 433.002 4.869 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(Cl)cc2OC(C)C)CCCN1C(=O)OC(C)(C)C 1625300836 LXXQAAHRNNOYAV-QHCPKHFHSA-N 434.964 4.536 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)cc1 1627347121 ZSDVNISTYGTAHL-FQEVSTJZSA-N 430.342 4.929 30 10 IJEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 1631166300 GQGDMXZTGYDACB-JIPXPUAJSA-N 439.559 4.778 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(C)CCCOC1 1631704440 GTKDYIBCZWDZRP-IGKIAQTJSA-N 448.563 4.545 30 10 IJEE C#C[C@@H](NC(=O)NC1(Cc2ccccc2Br)CC1)c1ccc(Cl)cc1F 1636570170 IPZAUMUJMXIRCP-GOSISDBHSA-N 435.724 4.990 30 10 IJEE CCC[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccc(Cl)cc1 1639989205 COYDQCZTQZTUQD-QFIPXVFZSA-N 447.970 4.834 30 10 IJEE C=CCc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc(OC)c1OC 1640503535 HODWGQILUVEPEF-XMMPIXPASA-N 431.532 4.808 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1640924268 JTIOTPNRQRVXNN-UHFFFAOYSA-N 429.601 4.723 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1CCOc2ccc(Br)cc21 1644456170 FOJBTYNMHHIBIS-RDTXWAMCSA-N 435.387 4.527 30 10 IJEE C#CCN(C(=O)c1cccn1[C@H](C)Cc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789364 DZPQYOGSZGGBME-OAQYLSRUSA-N 449.595 4.767 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 1651859121 MJYMWDHEGYQAGE-UHFFFAOYSA-N 430.986 4.942 30 10 IJEE C=CCOc1c(Cl)cc(CN(CCC(=O)OC(C)(C)C)C2CCOCC2)cc1OC 1652731485 IJCDYABLCZGDNO-UHFFFAOYSA-N 439.980 4.626 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCN(c2ccc(F)cc2C#N)CC1 1655357518 FMVRDEUJMUNNEJ-LJQANCHMSA-N 444.510 4.639 30 10 IJEE CN1c2cc(Br)ccc2N(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1(C)C 1658495681 AIPHLPZRIHRIQW-UHFFFAOYSA-N 438.329 4.606 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1662378340 KLIRCJBPKCXRTO-MRXNPFEDSA-N 444.431 4.608 30 10 IJEE N#Cc1cc(F)cc(NC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 1664071899 DTFCKZMGXJIIDG-FQEVSTJZSA-N 439.288 4.960 30 10 IJEE C#C[C@](C)(CC)NC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1670132386 NWXVVPSNLCWLQL-CQSZACIVSA-N 436.253 4.881 30 10 IJEE C=CCOc1cccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1 1673782299 HRZHILYWLYATHN-IAGOWNOFSA-N 443.466 4.561 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Br)c(OC)c2)cc(OC)c1OC 1675045176 JOJKKJREQLWLTH-UHFFFAOYSA-N 435.318 4.525 30 10 IJEE C=CCCC[C@H](C)NC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 1679434442 GRONIXIHFLLEOZ-HNNXBMFYSA-N 427.358 4.724 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(F)ccc(Br)c1F)c1ccc(Br)cc1 1680853829 IHXKWYBIRWFMGN-CYBMUJFWSA-N 444.073 4.986 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(Br)cc1)c1ccc(Br)cc1 1682357304 WUFMDJURGYUNMG-KRWDZBQOSA-N 436.147 4.728 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1683771935 FQGAXNLULSIXQA-INIZCTEOSA-N 440.519 4.625 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1685852911 ROCJHCUAEATUGW-OXJNMPFZSA-N 427.342 4.987 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173778 OWNVDJKVGWYFLL-BXWFABGCSA-N 441.494 4.571 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C 1686959107 PEZYBOYENCOSNS-UHFFFAOYSA-N 448.567 4.823 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1)c1ccccc1 1687449644 IBDUEIBIONMTLS-QHCPKHFHSA-N 439.625 4.926 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(CCOC)CCCCC1 1689863418 TWWIUHHZRJLQAF-QFIPXVFZSA-N 438.616 4.919 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 1689895564 YNMHZABBSOJNAK-UHFFFAOYSA-N 443.586 4.509 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2cc(Cl)ccc2C1 1689942858 FKMROENRUQEQEA-NHCUHLMSSA-N 426.992 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCC(F)(F)C1 1690055435 VKHDRZQVLKIXNM-IBGZPJMESA-N 428.552 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)[C@H]1C 1690239349 VCSLJTWFNWHJCZ-XTCYKFNRSA-N 428.552 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)C[C@H]1CC=CCC1 1690250820 LVURXAZKFQACIO-HWBMXIPRSA-N 436.600 4.939 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1690328049 DMKAZQHMRYYSND-CXAGYDPISA-N 426.895 4.723 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CCSC(F)(F)F 1690556121 NCZFSEDMTMMWCA-UHFFFAOYSA-N 449.502 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1CC1=CCCCC1 1690573972 KMZSDUUWLXALOZ-QHCPKHFHSA-N 428.602 4.685 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1690607187 GOTOGOFMAJRKGR-HXUWFJFHSA-N 425.621 4.884 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H]1CCO[C@H](C)C1 1690992977 CKCKSHSUIDGIHN-YRXWBPOGSA-N 445.995 4.873 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCc2sccc2C1 1705524820 SMCQENKQBDKWAU-SFHVURJKSA-N 436.581 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1 1705694679 DICCFWBULJBTPC-UNMCSNQZSA-N 433.581 4.538 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1705721436 ZKAYHRAHBKTOCB-PXNSSMCTSA-N 439.947 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705788673 JFJVPTWSZWJDDU-HXOBKFHXSA-N 430.980 4.585 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCc2ccccc21 1705799230 QIJFZOCDQWWFJR-AREMUKBSSA-N 431.584 4.665 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(C)OCCc2sccc21 1705834049 CGVBTNRYLCGLEP-HJPURHCSSA-N 442.560 4.729 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCO1)C1CC1 1705850412 SLVFIYCOEJFHJK-HNNXBMFYSA-N 437.769 4.695 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1=CCCCC1)C1CC1 1705856517 VWAAJAAPMZKZBH-KDURUIRLSA-N 427.593 4.704 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1C[C@]1(N(C)C)CCSC1 1705878441 PJESOZZXMAMOEU-RUZDIDTESA-N 439.673 4.608 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(Cl)nc1 1705878468 PTCICOLKTBNTNB-NRFANRHFSA-N 437.975 4.852 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)[C@@H](C)C1CCC1 1705896854 ZZCWJTDYPBGSPP-KRWDZBQOSA-N 441.645 4.593 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](CC)N1CCCC1 1722344333 INTPCBCFQOBWMR-CTNGQTDRSA-N 444.023 4.632 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(Br)cc1 1722454824 FSCFCYOIYBZIHJ-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)nnc1C(C)(C)C 1722498859 FOYHRBNPLQOWOX-VXNXHJTFSA-N 447.627 4.888 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](CC)C1 1722583954 AGUHSKHNRYROGH-KRWDZBQOSA-N 428.577 4.810 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1722615987 GFBHMJSSVYCJLJ-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1722624637 GGOAMDYELAYWEH-UHFFFAOYSA-N 449.599 4.854 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)cn2C)n1CCC 1722659658 YXWRLQDVAQKHHH-UHFFFAOYSA-N 432.341 4.788 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCO[C@H](C)C1 1722674203 PBTTWEXYXWSVSK-YADHBBJMSA-N 434.584 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1740555932 DKDGKGGNPQFDAZ-PCCBWWKXSA-N 438.616 4.818 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CCC=C(C)C 1740650672 IXHMKLXKBWFVOK-UHFFFAOYSA-N 429.337 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H](OC)C(F)(F)F 1740772268 UAMHHFDUCBXXFD-LJQANCHMSA-N 448.493 4.501 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ccccc2C(C)C)CC1 1740827203 NAKMXGFAMAYDKU-UHFFFAOYSA-N 437.613 4.993 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cccnc2OCC)CC1 1740829039 ICEJBJJAANFDRW-UHFFFAOYSA-N 439.947 4.509 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740864317 HXJJVFQXSBFFSL-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1740872210 BOFXLFJDCHVWSH-HNAYVOBHSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCC1 1740922873 VSVIYUZQXGMKHM-HYBUGGRVSA-N 442.629 4.929 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1)C(C)C 1740924600 XBWWGRBHHRZPDK-FYYLOGMGSA-N 448.615 4.810 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OC(C)(C)C)nc1 1740924834 DPSCQCHHUSCOQI-UHFFFAOYSA-N 433.556 4.753 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@H](C)C1 1740996452 CDXACDGXTOOTOW-CQSZACIVSA-N 439.448 4.569 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1749406946 QJEICMPBHXEACA-HSZRJFAPSA-N 434.588 4.905 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1749460506 BVEUXOLTFKZCTB-ZSYZGHEHSA-N 430.637 4.804 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCSC(F)(F)F)C1CC1 1749505989 HHUDRSJRVXINBZ-UHFFFAOYSA-N 439.507 4.555 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1 1749532635 VDXQNOZQVDSHCQ-LEWJYISDSA-N 441.526 4.672 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](SC)C(C)(C)C)C1 1749717479 LJWSEVJMROPZNK-SFTDATJTSA-N 444.645 4.725 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1749745015 TWIXMVIECJKBBR-RCZSKKKRSA-N 444.645 4.815 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)C1 1751995170 GNJQDEJIHOZKSJ-LVCYWYKZSA-N 434.613 4.663 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760131242 QHGZCJSJYMEHEP-MOPGFXCFSA-N 429.559 4.757 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1760145127 INTXWKDWOSCEOR-XZOQPEGZSA-N 435.616 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1760215460 BFRATWCOUXVROJ-ICSRJNTNSA-N 444.501 4.785 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1C[C@H](OC(C)C)c1ccccc1OC 1760293383 ULFAPOXIEBQBAW-JYFHCDHNSA-N 445.567 4.507 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cccc(C)c2C)CC1 1760300315 DQABNLNVUXNZLZ-HNNXBMFYSA-N 432.410 4.644 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1760306606 GQEAKBYQRUDVHR-QGZVFWFLSA-N 437.769 4.686 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)C1 1760318755 POPGTSVSUAZWTM-CLCXKQKWSA-N 449.368 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)C1 1760319068 QLHAYRULYFRJEQ-KEYYUXOJSA-N 437.407 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 1760320390 UQWPPJJVLGOPNP-KXBFYZLASA-N 438.469 4.844 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCSC[C@@H]1C 1760328491 WRGQRVIQURVDJK-IPJJNNNSSA-N 444.670 4.802 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H](C)CCSC 1760342996 SSQCTWBDSFFATP-CQSZACIVSA-N 439.423 4.870 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)c2ncc(C)s2)CC1 1760392898 DUBOJCRSRZANDA-QGZVFWFLSA-N 439.585 4.591 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(C)ccc2OC(F)F)CC1 1760403606 ZPJIGXGXKHGTEJ-UHFFFAOYSA-N 439.510 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1760411087 BLFYRVSAWJDWNC-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760428928 LLGKJTLINFFBQW-UHFFFAOYSA-N 443.020 4.662 30 10 IJEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1760431670 YDFVOXDRJNFSQM-SFHVURJKSA-N 444.649 4.620 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760447766 QOKWVFDCQNXTRU-RDJZCZTQSA-N 436.398 4.643 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC2(CCCCC2)O1 1760454524 MTQVLGIXRSVXTO-QGZVFWFLSA-N 448.409 4.550 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)Nc1ccc(F)cc1 1760457201 JMTRKSCGHRNGLY-UHFFFAOYSA-N 439.560 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCOC1CCCC1 1760458627 NWLUZPWDBSKKQL-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)c1nccs1 1760458791 UBXSGAFWACIFFG-QGZVFWFLSA-N 435.553 5.000 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCN1CCSCC1 1760485599 JPYSZUAHBDDTOZ-UHFFFAOYSA-N 439.654 4.556 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1760560943 KOEBOOKEYNPXSX-WOJBJXKFSA-N 442.629 4.516 30 10 IJEE N#Cc1c(Nc2ccc(-c3csc(CN4CCOCC4)n3)cc2)ncc2c1CCCC2 1859511219 TXEJYQVZEGHEBG-UHFFFAOYSA-N 431.565 4.531 30 10 IJEE CCCCCCCCNC(=O)CNC(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1861166575 URGQBEBNQXKNAT-UHFFFAOYSA-N 443.676 4.789 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1862237039 FZKQNCZHQWDYFS-GOSISDBHSA-N 436.396 4.823 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2Cl)cc1 1862391776 ICSXBXPABXKKLO-NRFANRHFSA-N 427.928 4.643 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@H]2c2ccccc2)c1 1862486800 LLZFRVOOLKQXLY-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc(Br)ccc1F 1862602165 WCLFRFNWJMTAKO-SFHVURJKSA-N 448.288 4.528 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 1862674730 RXDYOZCPUXQGEY-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c1 1862797262 RBTUXEUHERICPP-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863086320 IHXIDVCWVUSLPF-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863329589 GCXONAOQCKSJIK-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863430522 HESIIFUFXQPUQI-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(CCOc2ccccc2)C1=O 1863801778 MJKDXYMPCIRCPB-UHFFFAOYSA-N 426.582 4.857 30 10 IJEE N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1871281848 GXLFURHKLOVNCU-UHFFFAOYSA-N 427.791 4.686 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCOC(C)C)CO4)C2=O)cc1 1871345292 DJFJGZVDEZOWKF-IWIPYMOSSA-N 436.552 4.726 30 10 IJEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C35C[C@H]6C[C@@H](CC(O)(C6)C3)C5)C4)C2=O)o1 1871359654 USAABFJUCGLFLB-AKFAHEGZSA-N 447.531 4.748 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)NC1CCCCC1 1871435441 LMYUBAUNWJFJNU-MTJSOVHGSA-N 429.875 4.923 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCc4ccccc4C#N)c3C)C2=O)cc1 1871437050 HAAYQOKNZGOERW-QRVIBDJDSA-N 425.440 4.849 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cccs1 1872551137 LZVNHRDIDBTPIS-HXUWFJFHSA-N 434.627 4.985 30 10 IJEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1Cl 1872759962 DNVRPBBRMOSPER-MRXNPFEDSA-N 427.869 4.935 30 10 IJEE COc1cccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 1872762476 NWOBMMQWQYADHS-NBHGPNQESA-N 445.544 4.605 30 10 IJEE Cc1cc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)ccc1F 1872772959 VDSBDYQWVGSBHM-HNNXBMFYSA-N 440.412 4.873 30 10 IJEE C=CCNC1=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N(CCCCC)C1=O 1873136443 JNUYEJWTEMAYMF-UHFFFAOYSA-N 434.380 4.770 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N(CCC)CCC)ncnc21 1873594847 DKBJXNWASLOMKD-UHFFFAOYSA-N 425.964 4.827 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C)cc1)n2Cc1ccco1 1873662679 OAOLAHXJWGCFLZ-UHFFFAOYSA-N 427.508 4.812 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1n[nH]c([C@H](C)c2ccc(CC(C)C)cc2)n1 1873743313 UBMQGKRCHFPEDJ-GOSISDBHSA-N 434.540 4.737 30 10 IJEE Cc1c(CCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)n2c([nH]c3ccccc32)c1C#N 1873946770 NMMBBQFZIYWBOW-UHFFFAOYSA-N 439.302 4.839 30 10 IJEE CCCOc1cccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCO)c1 1874271579 CULQUQCXEDPUBC-NLRVBDNBSA-N 446.576 4.778 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)n2/N=C/c2ccco2)cc1 1874388643 WRMJSWSARTYPLM-MFKUBSTISA-N 445.548 4.692 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc[nH]1 1874420970 NQTCMEGPGWSHIH-YDZHTSKRSA-N 436.566 4.510 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)ccc1O 1874452368 RLVNHLLECCBKPO-FSJBWODESA-N 441.488 4.863 30 10 IJEE CCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2cccc(Cl)c2)cc1 1874474165 PSPYDUUFPSTFOB-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE COCc1nnc(SC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874498999 IKYBFFGPNXWLAI-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC)n1/N=C/c1c(Cl)cccc1Cl 1874527409 NKFNKHPGAFTOKD-WSDLNYQXSA-N 442.416 4.770 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874532802 CCPJWODXAPENDC-LSFURLLWSA-N 445.335 4.717 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)c1 1875101391 APUYCYUMBYQCDT-NTUHNPAUSA-N 446.459 4.785 30 10 IJEE N#Cc1ncccc1OC1CN(C(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3)c2)C1 1891549739 SNJPNAPAHLVDGN-UHFFFAOYSA-N 439.393 4.668 30 10 IJEE COc1ccccc1OCC#CCNC(=O)c1ccc(-c2nc3ccccc3s2)s1 1891616590 QWHUHHREEAEDRB-UHFFFAOYSA-N 434.542 4.846 30 10 IJEE C#C[C@@H]1N(C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1(C)C 1899919245 YKXPROKSQMROKR-DQEYMECFSA-N 444.575 4.810 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCCB2OC(C)(C)C(C)(C)O2)C1 2044522153 ISOBZDJRJVOJFK-IBGZPJMESA-N 430.398 4.815 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1C 2079004674 UESBLGFEVNUMBT-AWEZNQCLSA-N 445.226 4.994 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CNc1cc(Br)cc(F)c1C#N 2107438306 JTIDTORYIBJGAH-LRDDRELGSA-N 426.330 4.955 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1 2118196887 NTOKJZFAHAIJPV-OLZOCXBDSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1F 2124522834 YHRMLOJWWXZZGZ-HNNXBMFYSA-N 448.344 4.871 30 10 IJEE N#Cc1cc(F)c(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148946482 QIMGGTJMWSPDAT-IEBWSBKVSA-N 428.349 4.808 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCCCN(Cc2ccccc2)C1 2158570266 FPUAIXCOMAQDGP-JOCHJYFZSA-N 427.386 4.605 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2c2ccc(C#N)c(Br)c2F)C1 2174769787 NKXIETCQARYJSG-GJZGRUSLSA-N 438.341 4.686 30 10 IJEE C[C@@H]1CCCN(c2ncc(Br)cc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174807908 IBJICIBYYBHPJU-RHSMWYFYSA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(Br)cc2C#N)C1 2181143123 DYHMLSRAGUENDZ-CQSZACIVSA-N 436.350 4.687 30 10 IJEE COc1cc([C@@H](O)C#Cc2ccccc2Br)ccc1NC(=O)OC(C)(C)C 2235736621 ZKXRYQYDWMWTCP-SFHVURJKSA-N 432.314 4.890 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2235744886 ACDXYBYGHPPABN-ROUUACIJSA-N 433.390 4.568 30 10 IJEE N#CCOc1cccc(CNc2ccc(Br)cc2I)c1 2240329061 QNKJLRIAQUTEBE-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2258090182 IPSZMPXOEMHHTL-CYAXWHSWSA-N 448.568 4.900 30 10 IJEE C=CCN(CC[C@@H](O)c1c(F)c(F)c(Br)c(F)c1F)C(=O)OC(C)(C)C 2267786444 IHXSCEVMCNCKAH-SECBINFHSA-N 442.247 4.852 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2c(Br)cccc2C#N)[C@@H](C(F)(F)F)C1 2285185225 XRCRXEYOCGYBBN-OLZOCXBDSA-N 448.283 4.778 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1cccnc1NC(=O)OC(C)(C)C 2296271397 FJCAIGGGNCAKLX-GOSISDBHSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](O)(C#Cc2ccc(Br)cc2)C[C@H]1C1CCC1 2296286903 PXUJEKKBZRFXPM-UGKGYDQZSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2296299220 SIYZUUWJDPRHJX-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2N[C@@H]2CCCN(Cc3ccccc3)CC2)OC1(C)C 2317242782 LXXOAMRLBHRBAN-HXUWFJFHSA-N 441.812 4.501 30 10 IJEE Cc1c(OCC(=O)OC(C)C)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2321862499 FYWHOWMMKMJXER-UHFFFAOYSA-N 431.282 4.704 30 10 IJEE CCN(CC)CCN1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322170538 OVAPLJJHBIMZFB-UHFFFAOYSA-N 430.907 4.589 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(Cc1ccccn1)CO2 2322308368 FJLXZBCBEPVEFT-UHFFFAOYSA-N 437.499 4.850 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)c1 2322722967 MZVPIROKGHPREP-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1 2323693315 DVIXSFKZBSZCSU-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccn2)C3=O)cc1 2323937487 YGMYSCNUUBQJEF-UHFFFAOYSA-N 429.428 4.623 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1C 2324406435 UUKLNHDIBZODJD-GOSISDBHSA-N 432.501 4.788 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2325118566 MWXIHGPELGXILA-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2ccc(F)cc2)cc1OC 2325888860 VRVHPOBTWNKCTM-UHFFFAOYSA-N 428.533 4.604 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccc(F)c1 2326749889 LYIGXDZSLFXUPT-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nncn2N=Cc2ccccc2COc2ccccc2)cc1 2326809675 NHGGXZKWGKLDNT-UHFFFAOYSA-N 445.504 4.940 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(F)cc1F 2327459984 IJDFYFRYWZZHGD-UHFFFAOYSA-N 436.434 4.964 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2327567410 HFFJRJDNIGGVAM-UHFFFAOYSA-N 444.944 4.688 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OC)c1OC 2327635713 NKGZTQISVVWWKD-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)cc1C 2328791212 LBNRDTXMDRUKGC-UHFFFAOYSA-N 431.565 4.987 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)c1 2331394793 YQASLJNHLYQYEZ-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2331569485 FDWPLCLSMAOJPJ-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C(=O)C#Cc3cccc(Br)c3)CCC[C@H]21 2360196895 ZZEOXLJFAPHHFD-GBESFXJTSA-N 432.358 4.795 30 10 IJEE C=CCC1([C@H](N)c2cc(Br)cc(OC3CC3)c2)CN(C(=O)OC(C)(C)C)C1 2362714684 OOIGRWKNFFOZCZ-GOSISDBHSA-N 437.378 4.803 30 10 IJEE CCCCCC#CC[C@H](NC)[C@@H](O)c1sc(Cl)cc1I 2366645446 KZLKPNTYTUBQKT-GXTWGEPZSA-N 425.763 4.601 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1)c1ccc(Br)cc1 34934683 OQHXNVPIANMISI-QGZVFWFLSA-N 444.306 4.882 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c(OC)c1 34955437 TWXSCMPAMPLNFJ-GDNBJRDFSA-N 448.471 4.836 30 10 IJEE CC(C)(C)c1ccc(OCCCN2C(=O)/C(=N\O)c3cc(Br)ccc32)cc1 39854099 VYIBMNDTBQNIBO-NMWGTECJSA-N 431.330 4.741 30 10 IJEE CC[C@H](C)n1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O 39870800 NJQBNWHOHWQPQM-MUQGCMKUSA-N 434.250 4.791 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OC)c1OC 40097656 PICWFAQJYXHDTK-NRFANRHFSA-N 435.476 4.828 30 10 IJEE C=CCOc1ccccc1NC(=O)CNc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 66109102 WHDALLLYQGJVAR-LJQANCHMSA-N 429.520 4.793 30 10 IJEE COc1ccccc1[C@@H]1/C(=C(/O)c2ccco2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1 102537099 GVHDDYWVXCYEEQ-GOBJLOIFSA-N 446.484 4.833 30 10 IJEE CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@@H](C#N)c2ccc(F)cc2F)cs1 111029352 OJCXMYSIYPKPFT-MFUYTVRRSA-N 438.459 4.500 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)o1 139400006 GPMBIALFYZEGMB-PQIZCFMPSA-N 429.472 4.533 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922232 LGDKXWQOOMVPPP-LJQANCHMSA-N 438.480 4.691 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@@H]2c2ccco2)cc1 170098941 SZKLCYREMSYKOA-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1ccc2c(c1)CCO2 170167093 UKRIAZXBJBGVMV-NRFANRHFSA-N 435.476 4.601 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170234403 RCJRTUYTGLFJRI-XMMPIXPASA-N 443.474 4.929 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(F)cc2)s1 170238419 RWDORUNUHPJERQ-SFHVURJKSA-N 426.444 4.821 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 170240288 MEIAACLSNYRXJS-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCOC)cc1 170264887 TWJOJCWVKMVHJQ-LJQANCHMSA-N 434.319 4.781 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCCOC)cc1 170266833 YNQJXMHAMFUNMH-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccco2)cc1C(C)C 170280555 CCMAOIWLXVQDDA-QFIPXVFZSA-N 441.524 4.805 30 10 IJEE C=C(Br)COc1c(Br)cc(CNC2CC2)cc1Br 232456544 INDITASJMLTVJH-UHFFFAOYSA-N 439.973 4.751 30 10 IJEE CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)C2CCCCC2)c1 254800481 UANYNZDCJHDIEG-UHFFFAOYSA-N 433.961 4.561 30 10 IJEE COc1ccc(C=NN2CCN(Cc3ccc(C)cc3)CC2)cc1OCc1ccccc1 254900712 BVFWMQLONHUWRT-UHFFFAOYSA-N 429.564 4.734 30 10 IJEE C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446622429 DIYXBYINKPCPMK-FAEJEUNOSA-N 435.553 4.656 30 10 IJEE N#Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 526674547 UIJOJTLVTCOQBT-UHFFFAOYSA-N 426.181 4.666 30 10 IJEE Oc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1O 526826072 SKSOTDKXZWEODO-QFEZKATASA-N 434.496 4.594 30 10 IJEE C[C@@H](Oc1ccc2ccccc2c1)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCOC1 549683267 YOXHRTHWRZUTMN-WOJBJXKFSA-N 445.567 4.738 30 10 IJEE C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1ccc(-n2cccn2)cc1 561189366 GYUFSARXENMGGS-SFHVURJKSA-N 447.970 4.881 30 10 IJEE N#Cc1cccc(CN(c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)c1 586196751 IAHKNDWREOAJSJ-UHFFFAOYSA-N 432.423 4.852 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(OCc2ccccc2)CC1 670204855 SHWZRDKFICGIFA-DEOSSOPVSA-N 430.552 4.716 30 10 IJEE CCOC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 708674402 YOYGUINUYLVPSL-HSZRJFAPSA-N 433.549 4.560 30 10 IJEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1C[C@@H]1c1ccc(F)cc1 728973613 FCXKQEVQXXTIOX-NUJGCVRESA-N 435.339 4.514 30 10 IJEE N#Cc1cc(S(=O)(=O)Oc2c(Cl)cc(Br)cc2Cl)ccc1F 731216246 IVPWAAFHTKIULM-UHFFFAOYSA-N 425.062 4.534 30 10 IJEE N#C[C@@H]1CN(C(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)CCN1C1CC1 732650939 MSTHAWAWHWQYFB-OAQYLSRUSA-N 432.527 4.867 30 10 IJEE CCc1cc[n+](/C(C(=S)N[C@@H]2CCOc3ccccc32)=C(/O)c2ccc(C#N)cc2)cc1 762441144 VKLKXGKWXFKRBR-JOCHJYFZSA-O 442.564 4.733 30 10 IJEE C=CCn1c(SC[C@@H](O)c2ccc(F)cn2)nc2scc(-c3ccccc3)c2c1=O 799608372 YCIGHHWRMQQNNY-GOSISDBHSA-N 439.537 4.671 30 10 IJEE O=C(N1CCO[C@H](C(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 801010579 ATGGTPPWSNUACX-KQCSWFCSSA-N 449.382 4.601 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2c[nH]c3ccccc23)n1)Nc1cccc2ccccc12 1084514592 BOQCSWTXGXQRAK-UHFFFAOYSA-N 441.520 4.616 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 1124510173 CLNLDSBBROTNHO-UHFFFAOYSA-N 430.533 4.872 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 1124535974 ZEUSLGWNJOVWBJ-UHFFFAOYSA-N 444.789 4.982 30 10 IJEE C=CCn1cc(C(=O)Nc2cc(Br)ccc2Oc2ccc(Cl)cc2)nn1 1126700374 APAIXMSZQMKMGU-UHFFFAOYSA-N 433.693 4.925 30 10 IJEE C=CCC[C@H](NC(=O)CCn1cc(Br)cn1)c1ccc(C(F)(F)F)cc1 1127411743 SOWAVZNFDGRYLI-INIZCTEOSA-N 430.268 4.878 30 10 IJEE C#CCOc1cccc(NC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 1136768831 QFXGTNJCCOUVFQ-UHFFFAOYSA-N 441.553 4.522 30 10 IJEE Cc1cc2c(NC(=O)c3ccc(NC(=O)CSc4cccs4)cc3)n[nH]c2cc1C#N 1144854284 BZXTWXLFRAQNMT-UHFFFAOYSA-N 447.545 4.788 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)CCCCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164417667 BJQFBMXZFWMXMU-CVEARBPZSA-N 447.670 4.946 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nc2sccc2c1=O 1164611429 PCWUEXRBWJPOEX-AWEZNQCLSA-N 441.361 4.957 30 10 IJEE C=C[C@H](C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1C(C)C)c1ccccc1 1167531704 QVDLUKJMDLOGHI-ZDUSSCGKSA-N 435.368 4.685 30 10 IJEE CC(=O)c1cc(Cl)c(Cl)cc1OS(=O)(=O)c1ccc(C#N)c(Br)c1 1189849842 XEGMOMUHVQLLKY-UHFFFAOYSA-N 449.109 4.598 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1cc(Br)ccc1OCCOCC 1202527798 GDHMALSMUHAUFA-UHFFFAOYSA-N 431.330 4.532 30 10 IJEE N#Cc1cc(NC(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)ccc1Oc1ccccc1 1203838690 CXVZDWKCFBYART-JOCHJYFZSA-N 432.524 4.653 30 10 IJEE CCCN([C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1208574189 CYTLZWDHENXGTQ-AWEZNQCLSA-N 426.460 4.748 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(=O)Nc1cc(Br)ccc1C)c1ccccc1 1221685170 WREFIBDULOXHKC-GOSISDBHSA-N 430.346 4.703 30 10 IJEE C#C[C@H](NC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 1230498749 JOTMWGJBPYHPBP-SFTDATJTSA-N 439.353 4.687 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)CCCC1 1248674403 CBLBUMHNTSCWQJ-RTWAWAEBSA-N 449.636 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccccc1F 1286303820 DVOGRXZKXKXJJV-FBBABVLZSA-N 444.620 4.727 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cccs2)CC1 1286326367 DCXPXYSTGVUZGU-UHFFFAOYSA-N 440.016 4.714 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286337333 DUMMRUHUXFUPCE-NTKDMRAZSA-N 431.584 4.627 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(OC)CCC1 1286450220 AKCZUSVPXRZEQW-UHFFFAOYSA-N 437.371 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@H](CC)C1 1286560728 IKBHKIHXEZGYJL-OOSNJVJTSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C1CC1)N(C)C 1286566955 QHVGLHUSHLMAEJ-XLIONFOSSA-N 427.662 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 1286672651 GTTVINHCWGITEU-UHFFFAOYSA-N 444.023 4.607 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1286733190 TWLKSJCUIRVVQA-FQEVSTJZSA-N 425.577 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CC1(N(C)C)CCC1 1286748449 VDWPBCQNSIDIGZ-UHFFFAOYSA-N 437.613 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1Cc1ccc(N(C)C)c(F)c1 1286749668 CGBZRCBWZJAMED-UHFFFAOYSA-N 425.577 4.738 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286770724 UGGJADQGXHPRDT-UHFFFAOYSA-N 443.617 4.519 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccccc1CS(=O)(=O)c1ccccc1)c1ccccc1 1289586524 JXSABAMUCRWUPF-GDLZYMKVSA-N 439.558 4.514 30 10 IJEE COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc(F)c(C#N)c(F)c1)CC2 1290534575 HNHXLUPQIMTXFS-XMMPIXPASA-N 434.442 4.642 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1 1296462748 IZJLESKTWNZBRZ-RRPNLBNLSA-N 441.575 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOC)CCCC1 1300284634 UANVDXANFIKLOQ-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1300348877 NRNDBRCGLRAVAZ-HXUWFJFHSA-N 447.583 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(Cl)s1 1300608633 AFVVSCDEHGBXLC-UHFFFAOYSA-N 444.988 4.964 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](CC(C)C)C1 1300756093 FHRNVFBGXPSZIY-IBGZPJMESA-N 435.597 4.839 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(F)F)cc1 1300790470 RNGRKOZABOOXHA-JOCHJYFZSA-N 443.885 4.635 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCN1CC 1300797571 FHRLTDZNKHLGSB-WNCULLNHSA-N 449.643 4.846 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@H](C)C1 1301241840 XKPPIIBBKSIQAN-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(OC)c1 1301279132 WOQZNGMSZYVWPP-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@H](C)c1c(C)noc1C 1301351256 NUHHYBDZGSIUNO-UZLBHIALSA-N 439.535 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccsc1 1301371266 AUCCIEXKXJKYSG-UHFFFAOYSA-N 432.391 4.529 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCC(=O)c1ccc(F)cc1F 1307403367 BYBZZFHEWRTVGV-UHFFFAOYSA-N 431.030 4.623 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCCN2Cc2ccccc2)cc1OC 1308274999 WSNCWNDSFGVSQZ-HXUWFJFHSA-N 445.401 4.777 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)Cc1cc(Br)cc(Br)c1N 1308630539 AYQAVGICCUJQEU-UHFFFAOYSA-N 435.163 4.854 30 10 IJEE N#CCc1cccc(S(=O)(=O)N(Cc2ccccc2Br)C2CCCC2)c1 1309299888 DXHIZLKDWDHSSO-UHFFFAOYSA-N 433.371 4.649 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1310000961 LJFLWPKCWROTSG-PQTWGXLHSA-N 433.618 4.656 30 10 IJEE N#Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1Br 1310712554 GIFUZNVFFNBBPO-OAQYLSRUSA-N 436.309 4.843 30 10 IJEE COc1cc(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(F)cc1C#N 1311032829 AKWBAWZIBCCYKX-SNVBAGLBSA-N 428.411 4.593 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c1 1311263328 XABWGXMGRAZVHV-UHFFFAOYSA-N 431.964 4.966 30 10 IJEE CN(C)c1cc(-c2nnc(COc3ccc(-c4ccc(C#N)cc4)cc3)o2)cc(Cl)n1 1322180000 UACGZCYCXBYCMZ-UHFFFAOYSA-N 431.883 4.969 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 1357325535 WJIZMDBYNUVMEM-UHFFFAOYSA-N 433.266 4.975 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC(C)C)C1CCCC1 1359122467 VFEIGECCJYOYMC-FQEVSTJZSA-N 447.624 4.568 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359142376 GLNGGQXIXARKBR-ULQDDVLXSA-N 437.371 4.687 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CSCCS1 1359276488 DYXYJABBWUDXNF-GOSISDBHSA-N 430.599 4.523 30 10 IJEE C=CCN(C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2)C1CC1 1435700684 LERSYNIKFVAWAA-UHFFFAOYSA-N 427.364 4.552 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)s1 1436075599 HLLPXHYBVJRXBM-SMDDNHRTSA-N 432.920 4.928 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1F 1436652680 LZEGDHUGZZDJPY-SFHVURJKSA-N 446.707 4.840 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 1451171635 CBXPIIRGOWPWJY-UHFFFAOYSA-N 443.257 4.565 30 10 IJEE C#CC1CCN(CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)CC1 1460289564 LJBLYGZAHFFCCU-UHFFFAOYSA-N 426.564 4.946 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(Br)c1N 1464716887 FBXGIVZPMNARLU-UHFFFAOYSA-N 442.126 4.761 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 1465802812 SDJCKMDOQDQTCE-GOSISDBHSA-N 440.931 4.888 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1468173078 LFTOFLOLWYDJBN-XMMPIXPASA-N 426.582 4.670 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)c1 1468392775 QYJNRYPQNGKMJV-FQEVSTJZSA-N 434.561 4.555 30 10 IJEE C=CCCCN(CC)C(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1470099832 ONIXYOWAGIMDQW-SFHVURJKSA-N 436.394 4.559 30 10 IJEE C=CC(C)(C)CNC(=O)N1CCC[C@]1(C)Cc1ccc(I)cc1 1470193610 PRUUEAIUVRDNDY-LJQANCHMSA-N 426.342 4.610 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F)C(=O)OC(C)(C)C 1471948447 BYJPNJGFMYMRSU-HNNXBMFYSA-N 439.261 4.583 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cc(C(F)F)nc(SC)n1 1472646458 DKWCJHZMQCPLJX-UHFFFAOYSA-N 439.488 4.783 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)N(C)c2ccc(C)cc2)nnc1-c1ccccc1OC 1472921026 GUUXAJQALPNHQW-NRFANRHFSA-N 436.581 4.982 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(OC)n2)nc2cc(-c3ccccc3)sc2c1=O 1472956700 XQTIYOHTPNLVTF-UHFFFAOYSA-N 449.557 4.690 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c(C(F)(F)F)c1 1475048613 AYXYWDYLYKGNLA-OAQYLSRUSA-N 434.483 4.636 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 1476082697 IECRWLUOIUFFBC-UHFFFAOYSA-N 427.460 4.693 30 10 IJEE C#CC[C@H](NC(=O)Nc1cc(Br)ccc1OCCOCC)c1ccccc1 1476327085 IVIADTPHYHHSHF-SFHVURJKSA-N 431.330 4.751 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)[C@@H](C)CC 1507517005 FBFAFGYDDHPPFB-ROUUACIJSA-N 436.629 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCC1(F)F 1507660426 TUVJDSYDAZVALA-OALUTQOASA-N 444.501 4.846 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC1(OC)CCC(C)CC1 1507700635 RVWVNBHYKFNRID-UHFFFAOYSA-N 449.574 4.658 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1(SC)CCOCC1 1507702681 WIQCTBQCPGGFOS-UHFFFAOYSA-N 444.620 4.558 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1507743466 CKPIKCSOSRKZBT-SFHVURJKSA-N 449.624 4.942 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)OC1CCCC1 1507811031 NAHUVPQBDBVZLH-RDPSFJRHSA-N 440.588 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1ccccn1 1507815372 RDJFGLFMRXQARZ-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(C)cc1C 1507822625 YMXXHHQFHHFQBX-UHFFFAOYSA-N 437.613 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCC1=CCc2ccc(OC)cc21 1507826611 VJZSGZQYODYYAO-UHFFFAOYSA-N 429.568 4.705 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)CCC(C)C)CC1 1507887217 AREFBFCYMUWSNP-HSZRJFAPSA-N 432.996 4.854 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCN(C(C)C)C(C)C)CC1 1507897554 KNUJILMAJQGKTD-UHFFFAOYSA-N 447.631 4.856 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1507899012 ZAECPGNULZEDAG-FPOVZHCZSA-N 444.526 4.930 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1507902566 FJYXDELVYMOHDG-MJGOQNOKSA-N 430.980 4.695 30 10 IJEE Cn1cc(CCNC(=O)c2cccc(COc3ccccc3C#N)c2)c2ccc(F)cc21 1524012344 DSAVWOQAPCRJFW-UHFFFAOYSA-N 427.479 4.741 30 10 IJEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)CCCC1 1525699476 VBYVNKHPKHNRKG-LJQANCHMSA-N 426.582 4.592 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(OC)c(OC)cc2Br)C(F)(F)F)cc1 1525704200 OSZGKPMFLRXZSM-KRWDZBQOSA-N 443.215 4.908 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 1527069555 VMYSSFMXUVUPIA-UHFFFAOYSA-N 434.540 4.783 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1527807392 QUWYQIOXBKFDGG-OAQYLSRUSA-N 442.332 4.643 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccc(Cl)cc1F 1528524129 VSPDXMWWZKDKMR-LJQANCHMSA-N 435.724 4.946 30 10 IJEE C=CCN(C(=O)c1cc2ccnc(Cl)c2s1)[C@@H](Cc1ccccc1)C(=O)OCC 1529015506 XBOZXVMLVXEBOY-KRWDZBQOSA-N 428.941 4.752 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(C)o2)c1 1529833302 UMDUSCVGSNKIPR-UHFFFAOYSA-N 430.460 4.591 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OC 1530855600 QGZCQYKLJNRCKL-XLIONFOSSA-N 446.588 4.588 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 1532322994 KXFNUHYIEFXECN-UHFFFAOYSA-N 447.627 4.790 30 10 IJEE C#CCOc1ccc(COC(=O)c2c(F)ccc(C(F)(F)F)c2Br)cc1 1536772657 SWGQPWYMQSZSJQ-UHFFFAOYSA-N 431.179 4.976 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cncc(I)c2)c1 1536863865 QFKBJOQPQZKDDW-UHFFFAOYSA-N 444.297 4.576 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H]2CCCN2CC(F)(F)F)c1 1537401148 AYKXZMQHCZVBAZ-HNNXBMFYSA-N 437.849 4.760 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1539053614 WGRVZVPBBQJBPC-YLJYHZDGSA-N 445.405 4.936 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Br)cc1 1539059180 CECZFGHBPQHUEY-UHFFFAOYSA-N 440.389 4.529 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)c(Cl)c1 1539131560 USUMTGANXSOLED-UHFFFAOYSA-N 438.936 4.789 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(OC)CC1 1539735969 VSRDJUCIHANQPD-QFIPXVFZSA-N 436.959 4.726 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1539882373 JIHZQXLZOMWXTQ-FQRUVTKNSA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1539884472 KYQRGGRRFOYGLH-UHFFFAOYSA-N 428.462 4.513 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1539954494 ZUDFZESZAIWAAW-UHFFFAOYSA-N 439.604 4.868 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(N(C)C)CCCC1)C1CC1 1540098382 AVBDZHQAZVAUHP-UHFFFAOYSA-N 444.421 4.737 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)C(F)(F)F)cc1 1540108414 YURFKGOMQUKYJJ-GOSISDBHSA-N 431.391 4.981 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1cccnc1 1540140888 VWLZVQIDBMWVHT-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCS[C@@H](C)C1)C(C)C 1540148089 RCFLZGZEVFQBCN-UGKGYDQZSA-N 443.636 4.725 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2cccnc2Oc2cccc(F)c2)C1 1540882233 DUOGBPVEVPWPQG-OAQYLSRUSA-N 437.519 4.558 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)CCCN1C(=O)OC(C)(C)C 1543575995 PEPAVTQSKIPNNZ-VWLOTQADSA-N 435.524 4.914 30 10 IJEE C#CCN(CC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)C(=O)OC(C)(C)C 1545421873 PQDXOSCERTVDMV-AWEZNQCLSA-N 447.988 4.819 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2c(C)noc2C)CC1 1554682507 DOAUWSFQMXKGNM-CRICUBBOSA-N 448.571 4.621 30 10 IJEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1555448616 AGGVEVSPQZIIKT-QPPBQGQZSA-N 444.583 4.514 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1557475716 TXFPCBAWVURJFS-WZONZLPQSA-N 442.581 4.751 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(c2ccc(Nc3ccccc3)cc2)C(C)C)c1 1559620024 HDFAVXFYHIUKGB-UHFFFAOYSA-N 426.520 4.975 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccc2[nH]ccc2c1 1559759788 CRSZCQLESXMGHD-UHFFFAOYSA-N 441.535 4.921 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCOc2ccc(Br)cc21 1562110380 UNGSSYROIDUEDH-HXUWFJFHSA-N 425.326 4.929 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1cc(C(F)(F)F)ccc1Br 1562640725 YUZJBZOMEHBIAX-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE COc1cccc(CN(C)C(=O)NCCc2ccc(C#N)cc2)c1OCc1ccccc1F 1565064347 DSMFNRPQYSEABU-UHFFFAOYSA-N 447.510 4.669 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Cc2cc(Br)ccc2Cl)cc1C#N 1583094371 FYVDUYRAPLCVLR-UHFFFAOYSA-N 436.693 4.724 30 10 IJEE C#CC1(NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)CCCC1 1583331627 AITXEFXWKAIYKX-UHFFFAOYSA-N 425.326 4.686 30 10 IJEE C=CCc1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc(OC)c1OC 1583898531 FBGZHPXIXZGFDR-JTSKRJEESA-N 446.950 4.648 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)c1ccc(Br)cc1 1584707770 FFLXMXQYRXMDSQ-BJLQDIEVSA-N 447.170 4.980 30 10 IJEE C=CCn1cc2ccc(NC(=O)CSc3nnc(-c4cccc(C)c4)n3CC)cc2n1 1585155601 KWBDQYWUAFUSMJ-UHFFFAOYSA-N 432.553 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC(F)(F)F 1587586270 LSIPHUKUYCWNPM-KGLIPLIRSA-N 426.508 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC[C@@H](OCC)C1CCCC1 1587603371 KXDJGDJQFOQKOU-WMZHIEFXSA-N 431.584 4.937 30 10 IJEE COc1ccc(-c2noc(CCCC(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)n2)cc1 1587907408 AKBVMJSSTFMUEZ-UHFFFAOYSA-N 434.496 4.756 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1588993454 IMYYKXGADWRIJI-MRXNPFEDSA-N 434.556 4.785 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N(CC)CC 1589178115 RPIPHEWLHYKPJK-KSFYIVLOSA-N 434.415 4.974 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1ccsc1Br 1589192304 OGKXTDBFIGWGPA-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1589421195 FOIQMVHDDRIBJE-UHFFFAOYSA-N 446.437 4.719 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1cccs1 1589504801 JHPQXAAUROOGLE-RBBKRZOGSA-N 433.581 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCOC)CC(C)C 1589514209 DUMHDZSRHWSDRG-NQIIRXRSSA-N 432.996 4.689 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1Cc1cccs1 1593835009 SLHRVHLJQMSCHM-INIZCTEOSA-N 429.933 4.879 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1594070811 NKCUTYIJRFVGRE-GOSISDBHSA-N 448.571 4.563 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1594122483 QMUVGVNKFMYUDJ-AREMUKBSSA-N 438.616 4.560 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1594455086 LAVRVTAMSOFTFK-MRXNPFEDSA-N 433.000 4.885 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1594766749 BXSQRESFZCUUJJ-HYBUGGRVSA-N 442.629 4.619 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C(C)(C)C)n1)C1CC1 1595034347 ZXRMAZPPSAPSEC-UHFFFAOYSA-N 432.597 4.968 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1cccc(CSC)c1 1595156568 NPDLARTVYCJXAG-UHFFFAOYSA-N 448.621 4.901 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1cc(F)cc(F)c1 1595166395 SPNKPFNGMYIVRB-HXUWFJFHSA-N 430.524 4.905 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccccc1Br 1595223071 NETDYSUCFABAHE-UHFFFAOYSA-N 429.387 4.920 30 10 IJEE CC(C)(C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C#N)C1 1597362656 FNWLMIBLAYMNLE-GOSISDBHSA-N 427.618 4.831 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCOc1ccc(Cl)cn1 1613446453 BVDRKVPYSVSTGP-FXAWDEMLSA-N 438.963 4.686 30 10 IJEE CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCOC)Cc1ccc(C#N)cc1 1614529381 BBYOYVMRLZMFJL-FGZHOGPDSA-N 439.604 4.521 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 1616209502 UJEZJZQGNLJNKN-ZWKOTPCHSA-N 445.387 4.783 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1617867757 INJBRLGUPOQHDT-FQEVSTJZSA-N 436.478 4.546 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(c3nc4ccccc4s3)CC2)cc1OC 1621575752 YCNPATSHVHWEKL-UHFFFAOYSA-N 429.973 4.845 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 1624638980 GPFCLWKIEJMDHK-QFBILLFUSA-N 430.595 4.590 30 10 IJEE C=CC1(CC(=O)N[C@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)CN(C(=O)OC(C)(C)C)C1 1626054205 OGMUAKJWZGLTBP-JXFKEZNVSA-N 426.561 4.580 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1 1627140165 XOLYNGRPVQAABY-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3ccc(CC)cc3)CC(C)C)ccc2c1=O 1627285780 SZSMZODXQGVXLH-UHFFFAOYSA-N 435.593 4.732 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1)C(=O)OCC 1627752916 VMNAKIKKNAIFPT-LJQANCHMSA-N 428.554 4.752 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(Cl)c1 1627814988 SZFLPWRRIIDRLK-KRWDZBQOSA-N 439.947 4.585 30 10 IJEE CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 1630286349 BKXPRYBEOQSZBD-UHFFFAOYSA-N 443.503 4.998 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 1630469489 YJIJYNXRACAWCP-NRFANRHFSA-N 434.540 4.745 30 10 IJEE C=CCN(CCc1ccco1)C(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1631675329 MJEGBQFBRNTTPM-IBGZPJMESA-N 444.531 4.764 30 10 IJEE N#CCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 1636827375 HWRFKGLGDGFNMX-UHFFFAOYSA-N 443.887 4.598 30 10 IJEE C=CCN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1ccc(OC)cc1 1653193313 CWHBPWPOAUTWKE-UHFFFAOYSA-N 425.529 4.508 30 10 IJEE Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2ccc(Br)cc2C#N)cn1 1653470078 GHCRBPMCDPUCSO-UHFFFAOYSA-N 429.749 4.910 30 10 IJEE C=C(C)CS(=O)(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1654620929 NAYFZXGWMHZBQP-UHFFFAOYSA-N 433.835 4.896 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2ccccc2COC(C)C)Cc2cccs2)c1 1657707075 VLGRUBOWTOXKGG-UHFFFAOYSA-N 432.589 4.977 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 1659833322 HBALANZIQVSPNU-NRFANRHFSA-N 430.451 4.546 30 10 IJEE Cc1ccc(C[C@@H](CO)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 1666028380 FYLJPALCVOOLDG-VWLOTQADSA-N 443.547 4.674 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)cc1 1667957156 VYEAGDYQBYIUCX-OAQYLSRUSA-N 447.988 4.906 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 1671551271 HAIKYOPNLOPMQX-UHFFFAOYSA-N 447.289 4.763 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 1672064208 VDQRTYVNYLRMKS-BEFAXECRSA-N 426.492 4.629 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CCN(C)c1ccc(OC)cc1 1672708527 PEMGHXZNCHADIZ-UHFFFAOYSA-N 448.361 4.623 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1F 1674036067 KDTQNUYONWQFTF-VXKWHMMOSA-N 449.904 4.910 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c1 1674518829 KXQFTZMGJHCIJR-OAQYLSRUSA-N 441.572 4.588 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@H](c4ccccc4Br)C3)cc2n1 1674576569 MGQGPLRMVISPCO-FQEVSTJZSA-N 441.329 4.590 30 10 IJEE C#C[C@@H](CCC)NC(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1676571204 DQIKNTGLWGTKQU-PZJWPPBQSA-N 433.552 4.808 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 1680959382 JQAYLIGTZQKSHE-DZFGPLHGSA-N 433.568 4.963 30 10 IJEE C=CCC[C@H](NC(=O)NCCCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 1683159672 JXUWKDZVIZIMGS-QHCPKHFHSA-N 441.019 4.859 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 1685660502 GOAMXDYFJWENFY-UHFFFAOYSA-N 428.577 4.660 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1689858728 PWMCONDIMORHLR-PZJWPPBQSA-N 443.636 4.648 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 1690026911 QIRQTTDSVGDHKP-OAQYLSRUSA-N 440.538 4.762 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cc(Cl)ccn1 1690159558 DUPAPPAURQQTTM-UHFFFAOYSA-N 432.380 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](CCC)OC 1690192544 BEYSTNWIBAKNPG-DHJUGAMNSA-N 430.980 4.879 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1690228868 HOLDDBBNHVJKHA-IBGZPJMESA-N 447.421 4.613 30 10 IJEE C=C(Cl)Cn1c(N(CC)C2CCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690359080 SEAQCRLTKFVAFN-CALCHBBNSA-N 438.016 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690424207 HIGWGXFMXGVVFQ-JTSKRJEESA-N 440.588 4.568 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CCOC)C1 1690455252 GLTCVBKZHASDOZ-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1690465932 RLAGVMPOHGWGSI-HSZRJFAPSA-N 448.615 4.889 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690476466 DICKRVHQEQGYEM-HZPDHXFCSA-N 449.368 4.676 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690476931 UMKZVRISAVSYQJ-SFTDATJTSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](C)C1 1690561244 IRGNHSZVHDVRHQ-NTKDMRAZSA-N 443.599 4.640 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CCCCC1 1690569835 NTLQBPXVVRKJKG-RUZDIDTESA-N 437.563 4.936 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCC1CCN(CC)CC1 1690589938 HDBUBHFGIPQRNB-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE COc1cc(C)cc(Cn2c([C@@H]3CCCCO3)nnc2N(CCC#N)CCC(C)C)c1 1697248945 CJEGUKBLZJVRHS-QFIPXVFZSA-N 425.577 4.651 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705513835 AHKUEFAHGHOLEA-UHFFFAOYSA-N 435.547 4.766 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCO)CCc1ccccc1 1705527466 YTTSGVCPXYUBOK-HXUWFJFHSA-N 448.636 4.586 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1705592819 VHUPZEHNCFGCIN-SANMLTNESA-N 443.639 4.768 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Cc1cccs1 1705602779 CCWDMSUJGXPWDU-KSEOMHKRSA-N 438.641 4.600 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(C)cc(OC)c1 1705606979 MSBVDKDHBOSIKI-QGZVFWFLSA-N 434.609 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H](C)c1ccco1 1705709508 QJVFSRAKJOHWLR-NMMYMHLASA-N 436.556 4.937 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCO)CCc1ccccc1 1705722722 WVLARRWABCKXMP-UHFFFAOYSA-N 436.625 4.893 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1705770841 WJKCKMFMJDAIRL-HSZRJFAPSA-N 435.641 4.952 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1705816507 IWHYPPZFDJTEHB-QHCPKHFHSA-N 430.600 4.573 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1705838195 GNUSYUKQLIQRPN-ROUUACIJSA-N 428.577 4.567 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCN(C2CC2)CC1 1705847567 XJRJCXAYVVYXLR-UHFFFAOYSA-N 432.037 4.720 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1OCC)C1CC1 1705856275 NHGRLVSCWXNLBR-FYYLOGMGSA-N 438.616 4.993 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@H](c1ccco1)N1CCCC1 1705858569 YMDLRGQBTCLMKW-HSZRJFAPSA-N 444.583 4.896 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705862668 RTRCBJMJMHQGDT-LEWJYISDSA-N 448.590 4.792 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705940674 LOVMOPNMRAYJLM-GOSISDBHSA-N 446.064 4.828 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCCCC1 1709494663 BSHCNMAEOWHKHA-FQEVSTJZSA-N 438.620 4.618 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCCC1 1711142306 DHEKTUDYLNUQMK-UHFFFAOYSA-N 448.615 4.626 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCCN1CCCCC1 1722345273 HCQGIBNMBUDJKM-FQEVSTJZSA-N 439.673 4.857 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1(COC)CCC1 1722405068 JKNBBGLYNFWMEV-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(=C)CC1 1722455861 NJSOTVXXBSAZCG-UHFFFAOYSA-N 434.565 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1csc(CC)n1 1722472323 CPLKWGKLUMOPSA-JOCHJYFZSA-N 425.989 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1722496783 NBKFZVZOEBYMBX-ZWOKBUDYSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nnc(CC)s1 1722502051 RTBQWKNESJBBST-SFHVURJKSA-N 440.617 4.900 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@H](F)C1 1722517714 XHAXLKCUGBIEQI-CADBVGFASA-N 435.588 4.589 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1722523640 DTYXYEUSGUULPT-UHFFFAOYSA-N 425.533 4.543 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1722548549 KFRFZGXRXOCGCQ-IAGOWNOFSA-N 437.769 4.608 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCC(C(F)(F)F)CC1 1722556738 FJXWBCUBFMBDSD-UHFFFAOYSA-N 444.885 4.787 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1722574956 ULVQRFLJNDTCQP-ACIOBRDBSA-N 438.616 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1722587253 IGFZXCCPOAWHBY-OKXSDPAFSA-N 437.613 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722587542 SHALKJWFNAKHFS-FQEVSTJZSA-N 448.596 4.762 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1722597411 MCOWBMAENKTEQM-MSOLQXFVSA-N 428.577 4.952 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](COCC)C1 1722601539 YDKVEGJTPAWYHT-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@](C)(CC)O1 1722673070 HREYDCHGJQUHOQ-GJZUVCINSA-N 433.600 4.866 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CC1(N2CCSCC2)CCCC1 1722675736 SQHRAGYFSNFLKA-UHFFFAOYSA-N 443.661 4.591 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCc2ccc(Cl)s2)cc1 1724420018 AADLLPNVWSBWBG-UHFFFAOYSA-N 441.988 4.863 30 10 IJEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)Sc1ccccc1 1726956522 KGMJKVJLYIUMLZ-IAGOWNOFSA-N 448.596 4.507 30 10 IJEE COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)c2cccs2)c1 1730007711 IESYKYNMQGUSDU-INIZCTEOSA-N 439.585 4.740 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1C[C@H](F)C1 1740558092 SKYHCQNANYDCOF-IIAWOOMASA-N 425.335 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@H](F)C1 1740726481 BAKWVXZFINMZLK-FYINFDKHSA-N 431.353 4.838 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccoc1C 1740756680 QPDVTBCLGLYIMG-AZUAARDMSA-N 427.936 4.513 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H]1CC=CCC1 1740787736 ISSGYKNFTYFPPV-FQEVSTJZSA-N 432.572 4.720 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1740805148 NPMZMLDIQNYCRA-AWEZNQCLSA-N 439.785 4.772 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC(C)(C)C1 1740813140 WZYHIHMSUSIEGJ-UHFFFAOYSA-N 439.387 4.619 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1740894691 DGJWUEOLLVXURO-FQEVSTJZSA-N 440.588 4.857 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)N(C)c1ccccc1 1740923669 RJJIWLQEMAJXLL-VQTJNVASSA-N 437.613 4.561 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCCC 1748771979 LYWOQWHMRQTEPD-FPOVZHCZSA-N 444.023 4.796 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1749023474 SNTKNQRPWRZNCY-HNNXBMFYSA-N 433.419 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCC[C@H]1C 1749053090 BGUJUYXXJDYWHU-GRJZNYKUSA-N 442.991 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@H]1CCCCO1 1749158119 CPUWAPFQGOEASR-KNQAVFIVSA-N 426.561 4.542 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1749204466 HHQUQHSXMVIYKW-LEWJYISDSA-N 441.595 4.663 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1749323347 DYBCTICXNLHODB-OAQYLSRUSA-N 439.604 4.611 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2CCOCC2)CC1 1749331172 CUICYXVJIXQMHI-UHFFFAOYSA-N 445.405 4.845 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC)c(Br)c2)CC1 1749342677 LQAAZYNEJRWDHM-UHFFFAOYSA-N 433.394 4.698 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1749343394 IGAZCUKZUJMKQM-VWLOTQADSA-N 444.627 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CNC(C)=O)CC1 1749357010 GMKOGZLRKINXCL-UHFFFAOYSA-N 447.986 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(OC)CCOC1 1749549146 QSMGLQSYYBCIPP-QFIPXVFZSA-N 444.988 4.658 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCC(C)(C)C)CC1 1760148977 RSPLMIDYHVOGGT-UHFFFAOYSA-N 444.023 4.579 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCO[C@@H]1CCCC[C@H]1C 1760224049 WBPSHSZZYDUJRE-ISKFKSNPSA-N 448.611 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCn1ccnc1C 1760340321 UHDGOGLQPUITEH-NHCUHLMSSA-N 428.625 4.584 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(F)(F)C1 1760350477 JOROCIBXNSTGDI-UHFFFAOYSA-N 441.526 4.791 30 10 IJEE C=C(Cn1c(N2CCC(C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1760365478 ZKKGBQZEAVSXEV-AREMUKBSSA-N 438.616 4.905 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760385981 GMKWRBONWUOQOK-LJQANCHMSA-N 425.577 4.665 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1760390720 LQYIPLWZSDJJQD-UQBPGWFLSA-N 443.586 4.814 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cnn(C)c1 1760418933 BXUOBMMUIFXXFQ-UHFFFAOYSA-N 429.572 4.766 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCSC1 1760419015 FFYOXNBBFWHJQN-OAHLLOKOSA-N 438.439 4.971 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(F)cccc1Cl 1760429847 RICRGBXKDRYIIX-UHFFFAOYSA-N 430.959 4.925 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2cc(Cl)ccc2C1)C(C)C 1760489854 LPRRJRSCBRKOPC-QFIPXVFZSA-N 428.024 4.755 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C)C2(CCC2)C1 1760569408 NSDKTLRCLBAZGR-IBGZPJMESA-N 442.629 4.801 30 10 IJEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCCCCC2)C1)OC 1765564340 GUWWCYDTQZCZFI-QFIPXVFZSA-N 437.588 4.561 30 10 IJEE C=CCNC(=O)Nc1ncccc1O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 1858792420 DFPIESGSWBVLHX-KRWDZBQOSA-N 432.480 4.587 30 10 IJEE CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccccc1C#N 1858846743 SYMVDYCKGBSQAV-QGZVFWFLSA-N 443.507 4.874 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2)cc1OC 1859401287 GRQUATZZNRBODU-UHFFFAOYSA-N 438.487 4.740 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862444558 AVSUPLPVOAWBJT-JOCHJYFZSA-N 449.938 4.768 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 1862487683 HCEKWFZOIYYGGO-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862595405 MAYSMFGDDROZMA-OAQYLSRUSA-N 427.447 4.972 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cc(Br)ccc1F 1862601849 OJIJPZYSQHOQBW-ZMZPIMSZSA-N 448.288 4.671 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862642084 HOTBFWDPJQXVON-FQEVSTJZSA-N 442.443 4.511 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862686689 CAETWXYCJVDWJG-XMMPIXPASA-N 427.500 4.825 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)c1 1862699603 WVEUOMBONYKQOF-WAIKUNEKSA-N 429.472 4.740 30 10 IJEE COc1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968230 CXYKWLPKUAMAIO-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862977001 QZOBRVIKPFPXRG-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COc1cc(Cl)c(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccs2)C1=O 1863113804 WPIHCJFPORWLNJ-UHFFFAOYSA-N 449.919 4.987 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863128488 BMOWVNZRRXQCKA-UHFFFAOYSA-N 448.482 4.753 30 10 IJEE C=CCN1C(=O)C(NCc2ccc(C)cc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863707015 VYLXLCKOELYGFY-UHFFFAOYSA-N 438.527 4.630 30 10 IJEE C[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866771876 KBHKHHDLCMKXHQ-AOMKIAJQSA-N 433.458 4.502 30 10 IJEE CC(C)COc1cccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)c1 1870109687 DBEKWOLGURKJTL-UHFFFAOYSA-N 444.322 4.792 30 10 IJEE C#CCOc1cn(CCCOCC)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871004983 JHTYQFJFACKIQI-UHFFFAOYSA-N 440.584 4.858 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 1871374687 WIJXYCFNLOTYEN-XKZIYDEJSA-N 445.427 4.676 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)c1 1871420619 GLNOOECLDUHGNJ-JJFYIABZSA-N 444.443 4.845 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)s1 1871425550 MFAMNKUJGUXSFO-BDBXIWDTSA-N 449.532 4.821 30 10 IJEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616616 SLYCEOHCIFVISJ-UHFFFAOYSA-N 441.668 4.924 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871795300 VJUOVKCQEHLVMI-SFHVURJKSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871817554 SZYNDHMZFJQYLV-IBGZPJMESA-N 444.597 4.632 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872520996 BZQJQBWWHHXPGG-MBSDFSHPSA-N 428.598 4.842 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] 1872779991 XCNQEINEQAFJKL-GFCCVEGCSA-N 444.375 4.703 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2cc(F)cc(F)c2)C1=O 1873316086 XQNKZAHBPALKDB-UHFFFAOYSA-N 446.453 4.922 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(Cl)cc4)CC3=O)sc2C)cc1 1873529430 DRFUCKTWQLZJGR-UHFFFAOYSA-N 425.941 4.887 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874267887 VABHYIYHTOSIFH-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1 1874382508 SDIMCDHFGAESLM-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2-c2cccs2)cc1 1874424273 CLNVRYHNIKIEHS-WSDLNYQXSA-N 444.582 4.579 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccc[nH]2)c1C 1874425849 DRCIUVURBMVFMP-AFUMVMLFSA-N 430.537 4.503 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@H]1CCCO1 1874450595 GMONEETXAGUXDD-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE COCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(Br)cc1 1874472489 HXQSAWUYXKTJQC-WSDLNYQXSA-N 449.349 4.543 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1 1874482525 DWASPIBLUOASSM-ZMOGYAJESA-N 426.517 4.676 30 10 IJEE COc1ccc(CCc2nnc(S)n2/N=C/c2c(Cl)cccc2Cl)cc1OC 1874568631 JGFZYPZGGGRXST-SSDVNMTOSA-N 437.352 4.558 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccccc2OC)cc1OCC 1874611118 BPHKINVKZUBDQX-ZHACJKMWSA-N 431.916 4.548 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)cc2)c1 1874630644 MOOHEPOBHKKIJV-UKTHLTGXSA-N 426.509 4.958 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 1875137691 ZPBDQSXFGDUIAC-BJMVGYQFSA-N 438.398 4.856 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(CNC2CC2)c(Cl)cc1Cl 1914946177 JHLCUXJAESFACH-UHFFFAOYSA-N 425.381 4.622 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1988846531 KGEQLZZHPYWGJL-IFXJQAMLSA-N 435.487 4.715 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(C)cc1Br 2116829552 NKNQNSPXSPJFQS-AEFFLSMTSA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)cc1 2124522668 WEZYKUZXLBMOFV-UHFFFAOYSA-N 442.365 4.827 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)cc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 2187940421 DCWMEJNPBGDNAP-ZDUSSCGKSA-N 436.350 4.542 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2235727765 KNSWSCAIBRGVIM-RTBURBONSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C 2235732922 SRTPLLDZWYMMBM-PWIZWCRZSA-N 437.422 4.964 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@H](O)C#Cc1ccccc1Br 2235741198 SRVFAHBZLWRRJW-IZBJGVDFSA-N 434.374 4.587 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2242587805 SRGPMVDSSZGOPC-NRFANRHFSA-N 443.385 4.826 30 10 IJEE COCCC1(Nc2c(Br)cccc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2285179211 OPLPISYEWSAGJQ-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE C=CC[C@@]1(COc2nc(C)c(N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2287764212 JYEGVGACLSOKLQ-HXUWFJFHSA-N 440.382 4.707 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@H](O)C#Cc1ccc(Br)cc1 2296277114 OQIYVPVXTGVOQB-QGZVFWFLSA-N 432.314 4.890 30 10 IJEE CC[C@]1([C@H](C#Cc2ccc(Br)cc2)NC)CCCN(C(=O)OC(C)(C)C)C1 2296289891 WSVGWMDKDBMFIA-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2296598841 XMSKRBXKPBYLFE-UHFFFAOYSA-N 431.282 4.786 30 10 IJEE O=C1C(=Cc2cc(Cl)cc3c2OCOC3)Oc2c1ccc(O)c2CN1CCCCCC1 2296608261 HZWXXPCRXKXTSW-UHFFFAOYSA-N 441.911 4.904 30 10 IJEE O=S(=O)(c1ccc(-c2csc(NN=CC=Cc3ccccc3)n2)cc1)N1CCCC1 2296715259 AEQOZXDAVAPZRI-UHFFFAOYSA-N 438.578 4.706 30 10 IJEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC1(C)C 2318403080 UVTDEEORNPEJFL-IXCJQBJRSA-N 432.656 4.929 30 10 IJEE C=C(COCc1ccccc1)[C@H](N[C@@H]1CCCC[C@H]1C)[C@H](O)CCNC(=O)OC(C)(C)C 2319220777 MOBUSUAGPYIPQE-CDIGIKMISA-N 446.632 4.572 30 10 IJEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323177740 LACCZKZWWXFJHD-UHFFFAOYSA-N 445.427 4.976 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2323466257 JPPCGEIXCUTBHE-HFZDXXHNSA-N 442.600 4.993 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)C(=O)Nc1ccccc1 2324398392 BRDLMCSUMUFTOU-HNNXBMFYSA-N 430.416 4.617 30 10 IJEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 2324652315 WXDDHMUMDYLHOK-KRWDZBQOSA-N 438.480 4.865 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1OCC 2325642664 GNIBNXMUYFDJOE-UHFFFAOYSA-N 432.314 4.776 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc1Br 2326589128 QKDWMGUWJKHNIF-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc(OC)c1 2326846257 PLFHEWKSTFOOON-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1F 2330147810 VWTQINCAXKFFSX-HNNXBMFYSA-N 444.507 4.636 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccco1 2330181753 SRESPTJGLNJMJB-UHFFFAOYSA-N 445.548 4.578 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OC)cc1 2330992555 ZGXSJIQXZDIXSJ-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c1 2330993302 RDUNBYHDDVWOKG-LJQANCHMSA-N 428.945 4.972 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2cccc(C)c2)o1 2331131577 RUPODFBQCRRHAS-UHFFFAOYSA-N 438.431 4.550 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)cc1 2331184464 COMICOYWSMBXFP-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE Cc1ccccc1C=Nn1c(SCc2nc(O)c3ccccc3n2)nnc1-c1ccco1 2331216497 GFVOTQVKBCTINO-UHFFFAOYSA-N 442.504 4.670 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C1CCC1 2331496371 PGFSLCZOQHFLAQ-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339544368 FQDCODZTMYJSPV-SFHVURJKSA-N 445.413 4.808 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339586416 FOCRPTVUOWVAJY-YLZCUGDYSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339602019 FDHBVOLDDPPSKC-KDURUIRLSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2341126982 GXUMTRXLFPVCDR-DITRBWIGSA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2360197610 QMYVDKJVJBHICX-JLEJFLCFSA-N 433.390 4.602 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197652 RHKAUJBDQOHBKA-GTAWCEEGSA-N 433.390 4.567 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)NC(c1ccccc1)c1ccccc1 21084565 DNYHMOFEGCWERF-UHFFFAOYSA-N 434.569 4.535 30 10 IJEE C=CCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1cccnc1Cl 101126773 WDQHPEAIKFDEBV-RBTRMTIVSA-N 426.885 4.989 30 10 IJEE CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1cccc(Cl)c1 169939043 XXTRVRRSEBAEQU-NRFANRHFSA-N 430.957 4.700 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 169961363 WQRVIGMHNRBNSC-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccccc2)c1 170054347 LDDDUFKYBYQXBS-XMMPIXPASA-N 443.499 4.872 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2OC)c(C)c1 170123637 KCMBEOWRTKMVJN-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170124774 RUSVYPMKXOVIRW-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(C)c1 170139209 BCNLLSCOELNWOO-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)c1 170154043 DDNNTIQWUCFVLJ-JLCFBVMHSA-N 447.512 4.863 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccn2)c1C 170172924 MLAXWHANZCIOKO-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccccn1 170181047 VRJDUWDFZFEGEK-FQEVSTJZSA-N 444.915 4.521 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2CCC)cc1 170216200 IHIMZIFDTOPDIP-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1 170218812 HJOBUJORQUJAIS-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(O)cc2)cc1OCC 170448854 IJVLWVLDHUADAV-NRFANRHFSA-N 439.508 4.705 30 10 IJEE C=C(Br)COc1c(Br)cc(/C=C/C(=O)O)cc1Br 236447533 UVFHVMPCXKDTKN-NSCUHMNNSA-N 440.913 4.597 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCC 406679898 YMODUMMVEBMDIS-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)sc2C1 435113354 JPQUWHYYEYDTJQ-HOTGVXAUSA-N 444.560 4.622 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1 443323676 XAQRNAIJBFUTMT-UHFFFAOYSA-N 445.441 4.882 30 10 IJEE Cc1ccccc1Cn1c(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)nc2ccccc21 504545232 FAVHHGDXVDNYAM-RUZDIDTESA-N 432.524 4.593 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccncc2)cc1OCC 526523648 ZZHNOMAQHNGZCM-XMMPIXPASA-N 441.487 4.808 30 10 IJEE COc1cc(Br)cc(/C=N\n2c(C)nnc2SCc2ccccc2)c1OC 526799462 KTEQPKVDPCNUQF-NHDPSOOVSA-N 447.358 4.541 30 10 IJEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526811177 DBYAERGZRSWJRP-NHDPSOOVSA-N 431.905 4.585 30 10 IJEE CCOc1cc(/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc(Cl)c1OCC 526823229 TWKQPLBZEYDPNP-ROTLSHHCSA-N 441.944 4.775 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 555220019 NVFJWFVIIOCSIL-UHFFFAOYSA-N 441.595 4.834 30 10 IJEE CN(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)cc1 586221362 LOCYOJZPJFSSKR-UHFFFAOYSA-N 425.941 4.673 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cc(C)ccc2C)c1 586246422 KLZZNYTUXBRUMH-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 588705156 DZTPVQWEDQCTPZ-MBSDFSHPSA-N 440.503 4.684 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1noc(Cc2ccc(Br)cc2)n1 609551362 JVXMYXORIQLHLE-UHFFFAOYSA-N 443.301 4.519 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)s2)cc1 610168303 TVKCJZWUYJLETK-ZBFHGGJFSA-N 428.489 4.722 30 10 IJEE C#CCCCCC[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 686703946 FZNNFPHXAHWVRF-RPWUZVMVSA-N 429.649 4.964 30 10 IJEE Cc1cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 687811123 WZRWSEOOPPRHPG-XMMPIXPASA-N 426.472 4.921 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 698487486 URWNBGPFLBXVBE-QHCPKHFHSA-N 431.533 4.730 30 10 IJEE COc1ccc(CCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(OC)c1OC 739594291 HHCSPVOPTRGUOH-UHFFFAOYSA-N 436.533 4.562 30 10 IJEE C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(N2CCCC2=O)cc1 740037056 ATWIKMSAMGUUGR-QGZVFWFLSA-N 444.560 4.974 30 10 IJEE CCCN(CC)Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 741337299 FXTNODDJPYZJKV-INIZCTEOSA-N 439.581 4.524 30 10 IJEE C[C@H](OC(=O)C1(c2cccc(Cl)c2)CCC1)C(=O)Nc1sc2c(c1C#N)CCC2 744536288 GWQFELQVPIOPTJ-ZDUSSCGKSA-N 428.941 4.754 30 10 IJEE Cc1cncc(/C=C/C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 772062232 SERIBBUFBNCGGE-HWKANZROSA-N 428.439 4.980 30 10 IJEE C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 780744761 ZGZPAHKDRSOTDZ-OXQOHEQNSA-N 426.923 4.881 30 10 IJEE CCc1c(NC(=O)NCc2ccc(OC)c(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1 792485261 CBFZBRHMAHHDKK-UHFFFAOYSA-N 443.429 4.655 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 1083864679 KSOVYKYAONZONF-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE Cc1ccc(-c2ncccc2NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)s1 1128225057 DTVLHRFZGUALJA-HNNXBMFYSA-N 436.924 4.635 30 10 IJEE C=CCn1c(SCC(=O)Nc2cncc(OCCC)c2)nnc1-c1ccc(Cl)cc1 1131180234 MRWZDSPSMAIWRD-UHFFFAOYSA-N 443.960 4.699 30 10 IJEE C#CCC1(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)CCCCC1 1134293465 NLFUHLLEKSTEBB-UHFFFAOYSA-N 425.550 4.527 30 10 IJEE C=CCc1cc(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc(OC)c1OC 1136461131 YUQSTVRXTDHNLE-UHFFFAOYSA-N 433.479 4.732 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 1137750924 PLJRCRZLTTZPAZ-GOEBONIOSA-N 436.421 4.934 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1166518094 KFDWXXZWRGEEDW-JPYJTQIMSA-N 442.581 4.751 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc(OC)c1OC 1186107668 VVLRGQQWSDQTIN-UHFFFAOYSA-N 447.500 4.523 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c1 1206047697 BTYMMSKITZJBFB-LJQANCHMSA-N 432.446 4.567 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)c(Cl)c1 1209898052 LEYQSCGAYXJMPN-KRWDZBQOSA-N 440.805 4.646 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1212008695 JIFQSFYTSNPYTF-UNMCSNQZSA-N 448.629 4.605 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCO[C@H](C(C)C)C1 1251218475 DCODHAIFLYAWFS-KXBFYZLASA-N 427.358 4.737 30 10 IJEE C=CCOc1ccc(OC(=O)[C@@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 1265465354 ZSZUMWVJBLUZKC-YDBYVANFSA-N 425.912 4.905 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(C)(C)CC=C)c1 1286309633 SXOICOXEEIKMOU-UHFFFAOYSA-N 431.540 4.505 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)C1CCCCC1 1286498359 GHAOXSLAIIUTMS-UHFFFAOYSA-N 439.448 4.904 30 10 IJEE C#CCSCCn1c(-c2cccn2C)nnc1N(CCC)Cc1ccc(F)cc1C 1286503961 LEEZYPHHYNLXIF-UHFFFAOYSA-N 425.577 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C 1286581913 WYAXSERYIPQKBF-IBGZPJMESA-N 449.640 4.815 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1286601759 URKVDRYLUBNQRY-UHFFFAOYSA-N 436.604 4.852 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1286617520 OHEMQGQASGJIPK-HXUWFJFHSA-N 437.975 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1286670598 HLWIDONQEUCXKL-WOJBJXKFSA-N 443.636 4.887 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCCC1 1286746187 RADDCSDNGRPEJR-QHCPKHFHSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OC 1286749176 MGYPTJRNGCUQLQ-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1)c1ccccc1 1289586599 LGXVLEKFTXYTLJ-LJAQVGFWSA-N 445.606 4.630 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCOCC2)C1)SC 1291915173 FAWAGKHLWBQMIM-UHFFFAOYSA-N 439.629 4.745 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1300348331 MOHHKKFFFMWKQY-QFIPXVFZSA-N 449.986 4.983 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2ccc(C)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1300376304 JHQFDCAGWFDHMI-JYFHCDHNSA-N 436.600 4.772 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccc(C)o1 1300391868 HCTQNRQTFPIDEV-UHFFFAOYSA-N 431.309 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1CCC(F)(F)CC1 1300556635 KQRKABOPLHKVJF-GOSISDBHSA-N 444.501 4.846 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCO[C@@H]1CCCC[C@H]1C 1300602079 NSXHPLNVQUYUGQ-SVFBPWRDSA-N 428.552 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1csc(CC)n1 1300606196 IPIOAONUVWVLMZ-MRXNPFEDSA-N 439.654 4.853 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1Cc1cccs1 1300754119 IWVONOZEHOAPKQ-QGZVFWFLSA-N 426.586 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OCC)cc1 1300877096 UKLLYHJOHKFWNX-OFNKIYASSA-N 436.556 4.863 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1OC 1300886124 WJAGVGQZVXCCDQ-CVDCTZTESA-N 442.604 4.502 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2ccco2)C1 1300972823 QHXAQVOEZHOODZ-JTHBVZDNSA-N 436.556 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301158773 OUASCFKMLSTRAV-LJQANCHMSA-N 441.645 4.538 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1301197309 RNENWGDXHCHERJ-MISYRCLQSA-N 431.625 4.887 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OCC(F)F 1301280155 DPATWXQLGJBXIW-UHFFFAOYSA-N 441.526 4.952 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(C)C 1301346852 KMYXIWIIUUCJOQ-UHFFFAOYSA-N 435.572 4.881 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2cc(Cl)ccn2)cc1 1301518314 ICGDQEXTPMAPIV-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE Cc1ccc(COc2ccc(C[C@H](C)NS(=O)(=O)c3cccc(C)c3C#N)cc2)cc1 1309147841 BHSOXJMSBIEGHQ-FQEVSTJZSA-N 434.561 4.664 30 10 IJEE COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)NC2(c3cccc(C#N)c3)CC2)c1 1310400748 GVTDXRNYLZHDCE-UHFFFAOYSA-N 441.487 4.735 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)C[C@@H](O)CC 1310862583 NZSDXVUVBYFDAE-SFHVURJKSA-N 433.346 4.819 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1 1311007982 AICVYYHROWRKID-LBPRGKRZSA-N 426.897 4.701 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br)C(C)C 1311387751 HSZXBVLBWQOFAG-RTBURBONSA-N 438.385 4.573 30 10 IJEE COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(Br)cc3C#N)n2)c1 1348684636 GBNNWIGTJPLSQM-UHFFFAOYSA-N 444.310 4.714 30 10 IJEE C#CCCCC(=O)Nc1sc2c(c1C(=O)c1cc(OC)cc(OC)c1)CC[C@@H](C)C2 1349121016 IGNXOHHNVVUMQG-OAHLLOKOSA-N 425.550 4.863 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CC(c2ccccn2)=NO1)c1ccc(C)c(C)c1 1350664059 VCFHMMBEVDENIK-SANMLTNESA-N 441.531 4.990 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(OC)ccc(F)c1OC 1352318602 NHSWSQNQXRBBNZ-UHFFFAOYSA-N 426.257 4.573 30 10 IJEE C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccc(OCc2ccc(F)cc2)cc1 1352676741 DPHFIMQJDCKXCH-GOSISDBHSA-N 440.478 4.953 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 1354563044 GYIJMGWAJMTHHP-UHFFFAOYSA-N 439.002 4.658 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)cc1 1356122718 DOKXCKYJOOYJKQ-UHFFFAOYSA-N 446.406 4.896 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C(C)C)CC1 1358982699 HKOCAHGDVYZHHE-UHFFFAOYSA-N 431.367 4.673 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1cccnc1)C(C)C 1359013908 PUCNESMXLIHOFR-DEOSSOPVSA-N 431.584 4.768 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1359080834 GASNQCHXSYJVLC-AWEZNQCLSA-N 447.406 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1c(F)cccc1F)C1CC1 1359098956 ICEKRQYKTCHTIF-HXOBKFHXSA-N 430.543 4.905 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(C(N)=O)CCCC1 1359108882 HBRUSBNGSSPUDJ-UHFFFAOYSA-N 436.387 4.700 30 10 IJEE C=C(C)Cn1c(N2CCCC[C@H](SCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125022 MZJJHTRHJOKPBI-OTWHNJEPSA-N 449.665 4.737 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1359126657 UVYRPNWIGAOTJC-HXUWFJFHSA-N 439.604 4.612 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1359160054 KVSLWHUMOJNTDS-ACRUOGEOSA-N 441.595 4.834 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)CCCO1 1359197322 LDMRJSKELCMGOU-XUZZJYLKSA-N 426.561 4.542 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1359202034 HRHOIZPZKLYQKZ-BGYRXZFFSA-N 448.615 4.904 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC(c2nccs2)CC1 1359224888 GGDYJBUIDSGNCE-UHFFFAOYSA-N 427.549 4.517 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CCC(OC)CC1 1359235219 RIRXNDVOVQBEOL-UHFFFAOYSA-N 436.556 4.945 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CCCS1)C1CC1 1359253715 RBQPSYLXXWGTKG-MBSDFSHPSA-N 447.649 4.791 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)c1 1359822551 KROKUOYMFSWITF-NRFANRHFSA-N 426.513 4.855 30 10 IJEE Cc1cc(Cn2c([C@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@H](C)CC#N)no1 1361070147 DHCMXRPHXIYXRI-WBVHZDCISA-N 442.951 4.771 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1435026986 CGCFNCYPPYLXDG-QHCPKHFHSA-N 431.536 4.788 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](C)c2cccc(C)c21 1436457371 CMWGKGCKGQGBHT-AWEZNQCLSA-N 443.341 4.947 30 10 IJEE C=CCCC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1ccccc1 1455294301 UYFWIZCRPNZABJ-LMGFAJPXSA-N 437.584 4.987 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)cc(OC)c1OC 1458322076 HGAVNDGGNNSDKG-VLIAUNLRSA-N 448.357 4.701 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1468427054 SIPCRWWERJEDTR-QRWLVFNGSA-N 445.332 4.860 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1470786279 HZJMXGIYLBTSDC-YZGWKJHDSA-N 427.593 4.562 30 10 IJEE C=C(CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])c1ccccc1 1472799427 UCKWZFRGEWNLMC-UHFFFAOYSA-N 429.542 4.577 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 1473163556 KTQPYXSKEUHPEQ-FDDCHVKYSA-N 447.595 4.698 30 10 IJEE CCC(C)(C)c1ccc(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 1478265395 AFDLYKPUIDGYJJ-UHFFFAOYSA-N 441.579 4.826 30 10 IJEE C[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1494548353 FCGAXBFKDKZUGU-OXJNMPFZSA-N 447.505 4.658 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1c(C)nn(C)c1C 1507576387 LLOJKYMQSZJOOO-UHFFFAOYSA-N 436.629 4.676 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1507783746 HLWYGJAQBVQYIJ-QZTJIDSGSA-N 449.368 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCC(F)(F)C1 1507808526 QBDQGACFQCQDSE-QGZVFWFLSA-N 432.519 4.543 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CCCCNC(=O)OC(C)(C)C 1507817720 PMCWSOOSWRABBF-UHFFFAOYSA-N 431.556 4.792 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1507825105 PVXPMEHQFAITPA-ACIOBRDBSA-N 437.632 4.917 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)Oc1ccc(C)cc1 1507826652 WSJOISNRKXCFCW-SFHVURJKSA-N 425.602 4.812 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)Cc1nccs1 1507860025 IDMWGPCUNHUYNT-UHFFFAOYSA-N 433.965 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C)N(C)C2CC2)CC1 1507879582 DTLSDSJMTJXNAJ-KRWDZBQOSA-N 444.421 4.655 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2snnc2C)CC1 1507892435 QQQWRMWAQZZMTJ-UHFFFAOYSA-N 433.006 4.588 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccnc(SCC)c2)CC1 1507903214 AYKLGEYMLNVUMB-UHFFFAOYSA-N 449.624 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1507912927 ZUTKFKIQPPAVMN-NRFANRHFSA-N 449.603 4.606 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1507927373 RYANTNBQCJUILP-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(CCC(C)C)CC1)C1CC1 1507988412 MEVIMDUOWCQIMC-UHFFFAOYSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCC1CCN(CC)CC1 1508005870 ZVSHJNDIKXKWEL-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CCCC2)C1 1508151224 WLFLQODHEAUORT-UHFFFAOYSA-N 428.602 4.652 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1CC1CC(F)(F)C1 1510271295 FBRQYXVTILBDAW-HNNXBMFYSA-N 433.478 4.733 30 10 IJEE C#CC[C@@]1(C(=O)OCc2ccc(SC(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1515148091 KADXGGINLULTMS-NRFANRHFSA-N 425.497 4.838 30 10 IJEE CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(C#N)cc1F)C1CC1 1522658268 CMWSXIBCARDCCD-LJQANCHMSA-N 435.282 4.913 30 10 IJEE Cn1nc2cc(Br)ccc2c1C(=O)Nc1sc2c(c1C#N)CCCCC2 1523655634 FCIZKWJALULVRN-UHFFFAOYSA-N 429.343 4.790 30 10 IJEE Cn1c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc2cc(Br)cnc21 1525010839 DTQPQSDGZQOGDT-UHFFFAOYSA-N 448.280 4.647 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 1526038875 GVAPJSSVSKZYDM-UHFFFAOYSA-N 433.508 4.536 30 10 IJEE C=CCC1(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)CCOCC1 1526271400 VAPLZLGRKTUFIE-QGZVFWFLSA-N 432.536 4.671 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2Cl)cc1 1526306600 FVLAVIIYQXDMSM-KRWDZBQOSA-N 431.879 4.996 30 10 IJEE COc1cccc(CCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1OC 1532370806 AOBREBJAQMOHIZ-UHFFFAOYSA-N 432.524 4.630 30 10 IJEE C#C[C@H](CC)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1535483526 MCYAEALMROXVJU-HXUWFJFHSA-N 432.593 4.852 30 10 IJEE C#CCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@@H]1CCCc2ccccc21 1536278529 AIYFKUQMOCMBQD-XMMPIXPASA-N 429.516 4.582 30 10 IJEE N#Cc1cc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cnc1C(F)(F)F 1537140598 BAXLIVCIBOYGQW-UHFFFAOYSA-N 431.805 4.552 30 10 IJEE CCOC(=O)[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1cccc(C)c1C 1537952135 AAKWFFXBOXVWKK-RUZDIDTESA-N 442.515 4.788 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cc(C(CC)CC)no1 1538970128 ACQFKCHGARHEJR-IAGOWNOFSA-N 439.535 4.955 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CCC)CC1 1538974118 RATNTZHFSURAEJ-MOPGFXCFSA-N 444.023 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)SC 1538976142 JFPIJTBZYHNVLN-HNNXBMFYSA-N 425.627 4.977 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1OCCC1(C)C 1538976741 PLIBTCWXTZAIDF-JPYJTQIMSA-N 431.584 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCc1nccs1 1538984809 QKEALECLLGGKHM-OAHLLOKOSA-N 444.402 4.563 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1539116646 MBEQLAUJMGTKFC-FCHUYYIVSA-N 442.991 4.537 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC1(N(C)C)CCCCC1 1539549772 RUYPNGSFHGSVQW-HSZRJFAPSA-N 426.008 4.855 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1539693597 PYAAOQPSUVASDI-UHFFFAOYSA-N 442.995 4.969 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@H]1CC 1539752252 GZZSSGPTHYILLC-LJQANCHMSA-N 443.642 4.802 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1539779325 UUHUJJDUVMFKRX-DOMZBBRYSA-N 426.790 4.814 30 10 IJEE C=CCCCn1c(N(C)Cc2ccc(F)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540019922 FJRNKFIPZHOSCA-PUZFROQSSA-N 443.567 4.791 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1c(CC)noc1C 1540048735 AECNYNIQTCNSJY-UHFFFAOYSA-N 434.569 4.906 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1Cc1nccn1C(F)F 1540133964 PTJNSMMOYYHLDU-UHFFFAOYSA-N 426.515 4.843 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1541118664 FJNBLRZMKOVHAW-SLSDLSHTSA-N 448.659 4.907 30 10 IJEE C=C(C)[C@@H](NC(=O)/C=C\c1cc(Br)c(O)c(OC)c1)c1ccc(F)c(F)c1 1556261459 KUROOHAIDJCHNI-BQHGXPCASA-N 438.268 4.888 30 10 IJEE C#CCN(C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@@H]1CCCc2ccccc21 1558542872 ZAVXIIAMEPDCOQ-DNQXCXABSA-N 430.548 4.573 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ncnc2[nH]cc(CC)c12 1559058971 PSGCPWDWIHVYOI-UHFFFAOYSA-N 426.933 4.681 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1)c1ccccc1 1562322354 WDZKEGQFMNRZGE-FTRWYGJKSA-N 431.458 4.815 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(OC)c1OC1CCCC1)c1ccc(Cl)cc1F 1564004543 LNBYIIPRDXDHTO-FQEVSTJZSA-N 430.907 4.983 30 10 IJEE C=CC1(CC(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)CN(C(=O)OC(C)(C)C)C1 1566980993 XABCJEQZINMYES-UHFFFAOYSA-N 430.936 4.586 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)c1 1570328121 JWJHZHVWEZHDCL-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 1583130143 DQLIHZISHVXJSN-FQEVSTJZSA-N 431.964 4.956 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(CCC)CC1 1587592337 BAHUWBJIPIWHMP-MRXNPFEDSA-N 434.415 4.832 30 10 IJEE C#CCCCCn1c(N(C)Cc2cc(OC)ccc2Br)nnc1C(C)(C)C 1587793089 GVICHFSYDOMLTO-UHFFFAOYSA-N 433.394 4.787 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)C1CCCCC1 1587921566 BQVGDIZZEGGUFJ-UHFFFAOYSA-N 448.640 4.711 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nnc(/C=C\c3ccco3)s2)CCCN1C(=O)OC(C)(C)C 1587926561 ZANZXCFRUCVARO-YUQDSPFASA-N 430.530 4.586 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1589287489 AFTPEQIZKLIKIK-RDTXWAMCSA-N 446.393 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCC1CC1 1589505648 NIHPUZRHRBTEFU-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1csc(CC)n1 1589515776 RVJRJGBFUOUFSI-AVRDEDQJSA-N 437.613 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCC)C1 1589516130 WZMFKNPMJQVYOG-LQWHRVPQSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1594455805 WGLCFNWRKRNAET-QGZVFWFLSA-N 431.654 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)=O)CC1 1594461252 ODGGAZZVYRTSEM-UHFFFAOYSA-N 441.645 4.546 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1594703134 CXQYWBBFJDAJBJ-UHFFFAOYSA-N 433.556 4.520 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1594923115 ICWKCOPEHDBTKW-KNQAVFIVSA-N 442.604 4.816 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCC1(F)F 1595134116 SHHLHDLGXVGZGD-RBUKOAKNSA-N 434.506 4.939 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC(F)F 1595191334 PKCFVLRYMYTVTH-UHFFFAOYSA-N 431.874 4.822 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(Cl)c2OCC(F)F)CCCN1C(=O)OC(C)(C)C 1596025127 BFTPHASXUCYVFS-OAQYLSRUSA-N 442.890 4.715 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)cc2)nc1 1597981677 DZEPGKITSAXYFT-QHCPKHFHSA-N 430.483 4.878 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](c2cccnc2)C(C)C)n1 1612198737 ACQUGJRARUIEER-QFIPXVFZSA-N 429.572 4.613 30 10 IJEE C=CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1cc(Br)ccc1F 1615387455 HLQNWFCAGZGIFB-UHFFFAOYSA-N 439.281 4.572 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2ccc(F)cc2)s1 1616285520 OJYDJWDQYIZNET-AWEZNQCLSA-N 425.913 4.924 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 1623647356 CMTRIMMREHEBJI-APWZRJJASA-N 446.979 4.613 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 1623668557 ZFDNMIOVBWNZET-UHFFFAOYSA-N 437.912 4.861 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1630441471 AXHYNRYFNLERHM-VEDPZOSTSA-N 449.532 4.843 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 1638002430 LUAJOBKDERQULL-UHFFFAOYSA-N 444.579 4.519 30 10 IJEE C=CC[C@@H]1CCN1C(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1640141560 MZGJWURZIYHBHI-RQNQAMLKSA-N 448.563 4.674 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@@H]2CC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640556463 WOFLUZSMDZVAFY-CVEARBPZSA-N 445.654 4.652 30 10 IJEE C=CCn1c(SCC[C@](C#N)(C(C)=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 1640686410 RUIBHEFWCDRNRU-DEOSSOPVSA-N 449.601 4.665 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 1641030464 YGYJISXZVNPDLE-GOSISDBHSA-N 436.556 4.980 30 10 IJEE COC(=O)C[C@](C)(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cccc(OC)c1 1641834941 DYENMLFZLVWUPU-SANMLTNESA-N 443.503 4.519 30 10 IJEE C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCC(F)(F)F)cc1 1642547717 APNDOOYPPAMCQX-ZDUSSCGKSA-N 425.838 4.832 30 10 IJEE C=CCn1c(SCCCC(=O)NCCC)nc2cc(-c3ccccc3)sc2c1=O 1643556999 FJMORUWNXFJLSN-UHFFFAOYSA-N 427.595 4.710 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 1644131968 PEBCBTRHZDKDJL-SWLSCSKDSA-N 436.858 4.798 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(Br)cc1OC 1645299958 JLMQPLXIJLNXSP-CABCVRRESA-N 437.403 4.773 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cscc1Br 1651118413 JJBKREVJRWQQAZ-UHFFFAOYSA-N 432.343 4.533 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 1651648515 UYKQYFHXQFKSDY-HUUCEWRRSA-N 433.643 4.508 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1ncc(Br)cc1F 1651666991 DRMQNBBTYKUVNV-UHFFFAOYSA-N 435.322 4.799 30 10 IJEE C=CCn1c(C)cc(C(=O)CN2C(=O)[C@H](c3ccccc3)N(Cc3ccccc3)C2=O)c1C 1652584967 ARPUOMZAQKAWTK-VWLOTQADSA-N 441.531 4.679 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1652915941 DBKAZLBSDSOIQY-QHCPKHFHSA-N 437.971 4.762 30 10 IJEE COc1cc(CN2CCO[C@](C)(c3ccccc3)C2)ccc1OCc1cccc(C#N)c1 1653767542 HGIZCOQQQRQBKK-MHZLTWQESA-N 428.532 4.893 30 10 IJEE C#CCN(CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)[C@H]1CCCc2ccccc21 1660323283 CKNQUCCHHFGTIJ-QFIPXVFZSA-N 443.469 4.615 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)cc1 1665211607 PUTAYFJPYZUXKY-UHFFFAOYSA-N 429.495 4.740 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1)c1ccc(Br)cc1 1674025234 AXTHNSVOSARMNB-YFVAEKQCSA-N 427.342 4.720 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1683106902 OVUNXFBOYYOFGW-FGZHOGPDSA-N 449.599 4.615 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 1685845864 NBNRKDUOJWNXAU-KKUQBAQOSA-N 428.580 4.557 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)[C@@H](C)CC(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1686922654 MYJQTDIZKJWPGJ-HRAATJIYSA-N 429.923 4.992 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCc1nc(C(F)(F)F)cs1 1689840316 XJVBTVMMGRRZJB-CQSZACIVSA-N 433.503 4.683 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1689919152 DUNQDLBTEZZCIE-HNNXBMFYSA-N 428.993 4.932 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCOC1CCCC1 1690257731 RXWFJFXRTRWCSX-UHFFFAOYSA-N 436.398 4.787 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCSCC1 1690305053 VUBYBLQZDHPIBN-UHFFFAOYSA-N 444.601 4.959 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690367426 OILOWMUOJHFURS-BCDXTJNWSA-N 432.515 4.907 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)C1 1690460183 BOEXIJWNOUYJMP-IBGZPJMESA-N 434.588 4.658 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(C)CCCO2)C1 1690690132 RVKHIJNXCJYXPT-IIBYNOLFSA-N 437.371 4.602 30 10 IJEE CCCN1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1695395976 CKTBUBISVMRSJP-QHCPKHFHSA-N 434.632 4.782 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705510049 NCCPQJACHBFBKX-RPWUZVMVSA-N 430.600 4.970 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1705655983 TVEWCOUAGRGXKA-FXAWDEMLSA-N 433.021 4.606 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)(C)C)CC1 1705721227 QTMYXZFPBHWNGK-NRFANRHFSA-N 425.621 4.922 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1705756263 WJWBPZRFRCZMFY-MAUKXSAKSA-N 447.744 4.920 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCC(C)(C)C)CC1 1705812692 JEJAFFRRCKXWDX-UHFFFAOYSA-N 449.441 4.560 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)c1ccccn1 1705835745 SILORCHNSAVLAZ-UHFFFAOYSA-N 426.362 4.703 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 1705868607 UUKUHOFLXLSTAL-UHFFFAOYSA-N 443.661 4.769 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1Cc1ncccc1C 1705879512 BGSGWWPUGMEUBH-UHFFFAOYSA-N 449.505 4.727 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)c2nc(C)cs2)C1 1705916573 LMAOHNDIGMZBMI-HNAYVOBHSA-N 444.004 4.948 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)C1 1705940715 NGPQZRBCNLYVEI-ZDUSSCGKSA-N 425.371 4.612 30 10 IJEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CCOCC1 1708879106 GNQPVLQAVGEEIM-IBGZPJMESA-N 447.505 4.802 30 10 IJEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(C)CCCS2)ccc1OC(C)C 1711640855 HMJIWADZDRMXIL-SBUREZEXSA-N 443.617 4.765 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCN1CCCC 1722362768 SPZRQINCKHFFGF-OAQYLSRUSA-N 425.646 4.603 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](c1cccnc1)C(C)C 1722406399 OOFHMWQCZIZJIG-JOCHJYFZSA-N 439.567 4.630 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCN(C)C1CCCCC1 1722417524 KJIASKWPZWEYJI-UHFFFAOYSA-N 425.596 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722505706 CEKJBTIEEWBIIF-ZVDOUQERSA-N 443.661 4.997 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(SC)CCOCC2)CC1 1722575455 KKMIILJAEQYZAT-UHFFFAOYSA-N 433.021 4.913 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN(C)c2ccccc2)CC1 1722575629 PVRDQDXKEGRWPJ-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1722617643 OGSWXOBSLCWYED-RCZVLFRGSA-N 431.584 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)SC 1722665792 HUDUWBQOBZYTEH-ZDUSSCGKSA-N 425.371 4.777 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC[C@@H](C)C2)c1C 1724062486 CCYYYQVUAWDEAZ-QJHDXQOESA-N 425.552 4.913 30 10 IJEE CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCN1CCC(C)CC1 1726897512 BRUZGFSUGIMUAC-NRFANRHFSA-N 434.632 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)c1nc(C)cs1 1740649551 XCEAECNDNSBOCB-SIKLNZKXSA-N 431.609 4.852 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(C#N)C1 1740804689 FGNKPANFONGFFZ-MRXNPFEDSA-N 426.771 4.652 30 10 IJEE C=C(Cl)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740808866 AONREXHTXDCNHD-UHFFFAOYSA-N 437.853 4.527 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(CC)CCC)CC1 1740837252 RVIDFCJMIGQSFU-UHFFFAOYSA-N 432.012 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1740849372 HPRAOGRGZLVMCH-UHFFFAOYSA-N 440.485 4.504 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 1740875394 BURPDSXLQBYTTN-AQNXPRMDSA-N 429.609 4.738 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1740908166 NBMRMZPBECKYMB-YOEHRIQHSA-N 449.368 4.553 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1740914028 YXVKSXHSSCUHKC-RDPSFJRHSA-N 449.599 4.725 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCO[C@H]1C(C)C 1740918359 OUBSXXQCHVQHOJ-SMIHKQSGSA-N 438.616 4.816 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740918497 QCLRZJDSYUWFBB-HXUWFJFHSA-N 449.565 4.944 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(C)C)C1 1744872221 CPFKTLZDNIAEJX-BJKOFHAPSA-N 434.632 4.954 30 10 IJEE CCOC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)CCCC1 1746746011 HHJRLDXAXNJBEI-ROUUACIJSA-N 429.540 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCc1nccs1 1748642461 PAIGAWNFSUGYBS-JKSUJKDBSA-N 429.977 4.619 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1748714450 ITNPFTXJWGTEHL-IFMALSPDSA-N 438.572 4.682 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(CC)CCOCC1 1748914616 HWZQVYZUDPOBPR-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1)c1ccccc1 1749384616 DWVGMZSTGNQOPD-QFIPXVFZSA-N 437.632 4.675 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](OCC=C)C1 1749396337 ZXOZXWWQEZWKOG-QGZVFWFLSA-N 431.378 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1nnc(C(C)(C)C)s1 1749553908 WZGDQBDUTWEHEC-MRXNPFEDSA-N 444.630 4.581 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1760275365 WIDBMXMISPNOKI-ABSDTBQOSA-N 431.005 4.817 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760277628 BFNWIMBBJKGKIQ-QFIPXVFZSA-N 433.021 4.606 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](CC)C1 1760311962 HBLDQACIQZQIRV-KRWDZBQOSA-N 433.394 4.955 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCC[C@@H]1CC 1760336967 BOQZDPVVKORUEV-UNMCSNQZSA-N 437.636 4.681 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(SC)CCOCC2)CC1 1760385676 UCISZSVIMXJJKQ-UHFFFAOYSA-N 436.984 4.806 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760411771 RIUGTZQMSMHGQV-UHFFFAOYSA-N 434.510 4.910 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1760455046 ZDYVLMUAGKFPHI-GOSISDBHSA-N 433.984 4.770 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H](O)C1 1760480376 SUUNEEIJYILGHJ-GMAHTHKFSA-N 447.608 4.546 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C(C)C 1760494099 PPFQQPITCHJBBW-SLFFLAALSA-N 429.609 4.788 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1760510746 MXDKQCVWYHTYSD-NMLBUPMWSA-N 429.609 4.594 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](CC)C1 1760560445 VSRDDYFOHPCDPR-SJLPKXTDSA-N 437.009 4.606 30 10 IJEE CCCN(CC)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1764302698 IFQXBLYENIJCFM-SANMLTNESA-N 445.615 4.664 30 10 IJEE CO[C@](C)(Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1769535620 GULQDONFBUIVKP-PONJGIIJSA-N 431.968 4.625 30 10 IJEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)c2cccs2)c1 1769898519 DJQSJKHOLICJTI-MRXNPFEDSA-N 439.585 4.597 30 10 IJEE COc1ccc(/C=C2\SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)cc1OC 1772739857 WMQXSWFQONGRSU-NVGQKUQCSA-N 444.582 4.800 30 10 IJEE COc1ccccc1C=NN=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccco1 1772756858 FNGOCYJNVYAQNV-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE CC(C)c1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Br)c3)CC2)cc1 1857956858 FTSVKALYGCXOHS-NRFANRHFSA-N 426.358 4.595 30 10 IJEE CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2)cc1 1859418436 ZCPRESSXJUTXKF-UHFFFAOYSA-N 435.487 4.681 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1OCC 1860728572 GHLVQZWYUNSEJK-WUXMJOGZSA-N 436.552 4.941 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)[C@H](C)CC 1861091387 YMMATYIRJLIVID-DVECYGJZSA-N 434.621 4.644 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1862452542 FGMARPAYYOQBSS-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(=O)O)cc2)ccc1F 1862503940 IVQVEKLEJJYLCB-NRFANRHFSA-N 437.467 4.743 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(=O)O)cc1 1862547433 VBVHRNNIYZZCNH-QFIPXVFZSA-N 433.504 4.642 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862596123 GJNKNQISWCSXAQ-QFIPXVFZSA-N 447.487 4.559 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(C)c2)c1 1862699522 UZTPKRIZHVYLGY-DEOSSOPVSA-N 427.500 4.825 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(OC)c2)c1 1862703844 YYROQMZFHBNGFM-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1Cl 1862711789 CLOGQRXKEWRPNG-QFIPXVFZSA-N 434.923 4.633 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 1862760701 UOWYQVHSVPWUGC-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2cc(F)ccc2F)C1=O 1862801490 QHQCSKWBGNNULI-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3F)C2=O)c1 1863031654 FHCSPULLJLJGNY-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)c1 1866731266 UZLSTSJWUZMNHN-UIOOFZCWSA-N 437.543 4.808 30 10 IJEE CC(C)C[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)c1cccc(Br)c1 1867198515 QXCNSPWSKRQZCS-YWZLYKJASA-N 442.357 4.594 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cncc(C)c2)n(-c2ccc(Cl)c(Cl)c2)n1 1870004001 QIVHXNSGWRROGN-UHFFFAOYSA-N 443.338 4.708 30 10 IJEE CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(C#N)nnn1-c1cccc(C(C)(C)C)c1 1870145301 VRKRTDIPKYNMMP-QGZVFWFLSA-N 431.540 4.966 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc(Cl)cc2)cc1=O 1870814145 YNGCKPIMFFCMHU-UHFFFAOYSA-N 440.927 4.766 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccc(C(C)C)cc1 1871029446 ZTMMBNVTGDMILP-UHFFFAOYSA-N 426.557 4.738 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc2c(c1)OCO2 1871220180 XBWWECMRDCQXEI-UHFFFAOYSA-N 448.519 4.531 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1OC 1871374445 KUJOJJJZFZBEGR-QRVIBDJDSA-N 434.419 4.607 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871421073 UEUNEMNNGSKPLT-NHDPSOOVSA-N 448.406 4.676 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872236516 FVQWLTBDWOYDPI-FQEVSTJZSA-N 434.989 4.859 30 10 IJEE C=CCn1c(C(=O)NCCCOCC)cc2c(N(CCCC)CCCCCC)ncnc21 1873591441 KHPCKHGROINMIW-UHFFFAOYSA-N 443.636 4.961 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2C 1873611551 GQRCEMKICFHZJK-UHFFFAOYSA-N 443.351 4.856 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccccc3C(=O)OCC)c(=O)oc2c1 1873951404 AEJMYEWXQGEXLS-UHFFFAOYSA-N 449.503 4.804 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccc(C)cc1 1874202213 QJZUTWQGVJUADD-KOEQRZSOSA-N 436.581 4.939 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874260848 UUPLFCFHKCNTMW-VULFUBBASA-N 439.491 4.680 30 10 IJEE Cc1cccc(CSc2nnc([C@@H]3CC(=O)N(C(C)(C)C)C3)n2/N=C/c2ccccc2)c1 1874275020 QTDAWZAXSJVSPV-YNYZQSIGSA-N 447.608 4.875 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1 1874379871 QRNZGPIQPCZIIV-CVKSISIWSA-N 446.507 4.881 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccco2)cc1 1874402075 HBEDKZLEANOOLL-HZHRSRAPSA-N 433.493 4.739 30 10 IJEE CCCSc1nnc(CCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874404898 VJHMSZNZJGROGF-HYARGMPZSA-N 445.386 4.916 30 10 IJEE C=C(C)CSc1nnc(CCCC)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874476572 QTXFHFALMUZNNR-KEBDBYFISA-N 439.379 4.648 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cccc(O)c1 1874481137 SJXAYHLJNRTOJU-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874535475 JEGNFJXRVJDZHI-LSHDLFTRSA-N 435.336 4.839 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCCCO)cc1Cl 1874588142 CBJOOZVLWXVFJQ-AATRIKPKSA-N 441.307 4.677 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OCC(=O)OCC(C)C 1874619128 KZBXTJUFSRJSRR-JXMROGBWSA-N 442.508 4.577 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OCC(N)=O 1874638052 GJBAJYDPQKIQRL-ZZXKWVIFSA-N 428.699 4.806 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)c1ccccc1 1875194961 HLDRSBZZFYTJFF-JLHYYAGUSA-N 448.471 4.836 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC[C@@H](C)C1)n2CCOC 1875225116 AOVCLNJTXFMPNT-LJQANCHMSA-N 429.609 4.722 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)cc1F 1894896257 WSXBHKFXOWDYSD-IRXDYDNUSA-N 431.321 4.685 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 1947957238 HTBPBBRZUIWLDJ-MWTRTKDXSA-N 431.533 4.728 30 10 IJEE Cc1cc(C#N)ccc1[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 1952854111 PZYDXIRNYKINDC-SHQCIBLASA-N 438.483 4.705 30 10 IJEE N#Cc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(F)(F)C(=O)O)c1 1979572928 FLCBWDBZFABZCG-JOCHJYFZSA-N 448.425 4.858 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(Br)cc1Br 1992854175 CVYDALCPJUUJCR-LSDHHAIUSA-N 448.199 4.551 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C)c(C#N)c2I)c(F)c1F 2079846457 DIZSVDRVSXEBBH-INIZCTEOSA-N 427.236 4.644 30 10 IJEE N#Cc1c(C2CC2)nn2c(Cl)cc(-c3cc(F)ccc3I)nc12 2081399386 UGTZLSWMOGLAMG-UHFFFAOYSA-N 438.631 4.542 30 10 IJEE C[C@@]1(C(F)F)CSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2105089486 UMXATZDGIPPLMC-NSHDSACASA-N 437.080 4.946 30 10 IJEE C[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)[C@H]1CNC(=O)OC(C)(C)C 2118191908 KCTARTKJYIAABE-SJCJKPOMSA-N 426.330 4.589 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cccc(OC)c2Br)C1 2142376782 YCHPAVJUSHZVMC-QGZVFWFLSA-N 425.367 4.579 30 10 IJEE C=C([C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(F)(F)F 2248456015 LSYPOCPNTFJDDA-LJQANCHMSA-N 442.522 4.927 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)c2ccccc2)n1 2267183391 FYDGOQHRIJBJST-UHFFFAOYSA-N 428.341 4.536 30 10 IJEE CC1(C)OB(c2csc(C(=O)NCc3cccc(OCc4ccccc4)c3)c2)OC1(C)C 2267546080 RDQOHRLASFQHKE-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC1(C)OB(c2cc(Nc3cc(Cl)c(Br)cc3F)ccc2N)OC1(C)C 2283004711 ALJDVSWMZNYKNK-UHFFFAOYSA-N 441.537 4.867 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2296268078 ABXMATJYIPWRME-XNFNUYLZSA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](C(=O)C#Cc3ccc(Br)cc3)C[C@@H]21 2296268827 IZZWZAGDASOOBP-SCTDSRPQSA-N 432.358 4.795 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2296274433 UQHINTSGQJQCDR-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 2296933395 JJEMAFPZOKLBBD-NRFANRHFSA-N 434.517 4.554 30 10 IJEE COc1ccc2ccc(OC)c(C=C3SC(=Nc4ccc(C(=O)O)cc4)N(C)C3=O)c2c1 2297453989 VGIHHJVFQWGWLE-UHFFFAOYSA-N 448.500 4.789 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(C)C)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301437979 SJOFOYPSEGMGCL-ZRBLBEILSA-N 428.617 4.904 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C1=O 2314438584 XWDSFPFLQVRXMT-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 2314522804 ZAPRFDMZWXZYES-DEOSSOPVSA-N 428.488 4.976 30 10 IJEE CC[C@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317346456 INRMXLDFKVGTDF-KAUXGEHWSA-N 432.370 4.751 30 10 IJEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323201724 HWKGYONGQSIRRT-UHFFFAOYSA-N 443.499 4.970 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1 2323628323 SPBCJFXICMLZLX-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1OC(=Cc1cccnc1)C2=O 2323701682 JHUMTQOWXACEJD-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OCC 2324119656 FGNYQJIDQPZOHJ-UHFFFAOYSA-N 449.906 4.688 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 2325261517 SIMMEWBCMDTNKJ-UHFFFAOYSA-N 449.390 4.796 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1C 2325738440 DSSQWZGVFUSHNV-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)c1OC 2325740068 INQOEQODFIHFMG-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Br)ccc1OC 2326730027 IOSRBVZUEBTRFV-UHFFFAOYSA-N 449.349 4.925 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(N(CC)CC)cc1 2326796516 BJMJZRSZYJHMBQ-UHFFFAOYSA-N 439.585 4.706 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(Cl)c(Cl)c1 2327849688 JTQRKTGVWRSNJI-ZDUSSCGKSA-N 440.400 4.694 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SC)cc1OC 2329150604 RJOYMMREMZHMFS-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2330970223 MDDWJZHRDVTSJV-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2)c1 2331496092 LMSNLHBGIMPKLR-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2cccc(Br)c2)cc1 2332187303 ICBUZCOKRBBZHQ-UHFFFAOYSA-N 436.313 4.677 30 10 IJEE CCN[C@@H](C#CC(C)(C)OC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2338223395 GHGDSJPNMMFMDR-INIZCTEOSA-N 425.367 4.875 30 10 IJEE COc1cc(OC)cc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 8783648 DSGVPNDPCXMTBI-WXFUMESZSA-N 441.531 4.720 30 10 IJEE biogenic CCc1cc[n+](/C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)=C(/S)Nc2ccc(F)cc2)cc1 10828563 YTDHOVDQQYOTRJ-UHFFFAOYSA-O 438.548 4.874 30 10 IJEE C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccc1OC 14082599 GGSIRILEGIGJMR-UHFFFAOYSA-N 436.581 4.995 30 10 IJEE O=C(O)COc1ccccc1/C=C1/S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 15774290 QORPWBHASHWDAW-KWZOLKRCSA-N 430.485 4.959 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCCC)cc2)S/C1=N\c1ccc(F)cc1 20101885 LHOQCAABFFVFRQ-HZYJKNPPSA-N 441.528 4.761 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)cc1OC 21260684 YWSCJBDAPUEAGL-FPOVZHCZSA-N 449.547 4.885 30 10 IJEE C=CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCC1)CC2 37603043 BMMZJMGPVRBWAJ-UIOOFZCWSA-N 446.591 4.811 30 10 IJEE C=CCc1ccccc1OCCCCn1c([C@@H](C)NC(=O)[C@H]2CCCO2)nc2ccccc21 40196323 LUAYJFPSGCSJFG-CJFMBICVSA-N 447.579 4.980 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)c(OC)c2)nnc1-c1ccccc1 59776481 AGIBEIXAQMWVHT-UHFFFAOYSA-N 428.945 4.914 30 10 IJEE COc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)N(C)C)cc1 72041244 DLTUZVVJRSTVHF-XMMPIXPASA-N 430.508 4.784 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccn2)cc1 169991834 LTDMPIBGRJUUMM-QFIPXVFZSA-N 443.459 4.896 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)cc1OC 170141264 VZLCGTDVZWPISZ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccnc2)cc1 170186341 XULFSRMGNIVFSV-QHCPKHFHSA-N 444.487 4.605 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)c(C)c1 170190525 RTCMSHNANFXTFN-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170239345 OMRYUCPVVWLZHN-HSZRJFAPSA-N 445.446 4.639 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1cccs1 170269883 DEKHOSDOYHBBMV-FQEVSTJZSA-N 434.473 4.743 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2C)cc1 170271847 LAEDUIHUCKLHJU-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2ccco2)cc1C 170284983 GSZZFEQEEUKMIX-HSZRJFAPSA-N 444.487 4.508 30 10 IJEE N#Cc1cc(F)c(CNc2ccc(I)c(Br)c2)c(F)c1 312285175 QAVHLRJHPRMNEL-UHFFFAOYSA-N 449.036 4.816 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(Cl)c1 426162928 UCZQQEKHIDOIDD-IBGZPJMESA-N 429.307 4.845 30 10 IJEE CN(Cc1cnccn1)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 438514892 NQDPMQVUGPMYPZ-UHFFFAOYSA-N 427.386 4.823 30 10 IJEE C=CCSc1ccccc1NC(=O)CN[C@H]1CCOc2c(Br)cccc21 501562578 SWISVNDBXFYISO-INIZCTEOSA-N 433.371 4.779 30 10 IJEE CN(Cc1ccccc1NC(=O)N1CCC(C)(C#N)CC1)C(=O)c1cc2ccccc2o1 506643595 RDBSXSNOYHZBSU-UHFFFAOYSA-N 430.508 4.863 30 10 IJEE CCCOc1ccc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)cc1OC 513489251 ADCMRFJQNMDCOK-UHFFFAOYSA-N 430.504 4.865 30 10 IJEE COc1ccc(OC)c([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526492309 WULNEQAJSITKGQ-XMMPIXPASA-N 426.472 4.941 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 549656252 CKQMTSFYEMVRTK-UHFFFAOYSA-N 443.473 4.536 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 558964472 CQEDJPIABDGGCE-INIZCTEOSA-N 429.565 4.775 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 566647805 OJKVZSAVXIJBQW-CQSZACIVSA-N 444.370 4.748 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3F)C2)c1 586003897 DSYCWYSVMXOHBU-QFIPXVFZSA-N 437.559 4.627 30 10 IJEE COc1cccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 586294586 HBTCXTTYZNFZQE-UHFFFAOYSA-N 448.544 4.900 30 10 IJEE CCOc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccccc2CC)cc1 586294881 DUDZISVCZSHVRV-UHFFFAOYSA-N 434.517 4.555 30 10 IJEE CN(C)Cc1cccc(/N=C(\c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1 618011665 ZGXOBLVQIVXKEB-AZPGRJICSA-N 440.547 4.806 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(CC#N)c1 687752648 DPNLBOZWOUVDNF-HHHXNRCGSA-N 440.499 4.981 30 10 IJEE N#CCOc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 727733641 LOGZHPBYGMIEQW-UHFFFAOYSA-N 442.450 4.739 30 10 IJEE C#CCOc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc3ccccc23)cc1 732487069 LEPOYIMSYZNWEP-SANMLTNESA-N 434.495 4.696 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCOc2ccc(Br)cc21 733335354 USEJJGATYFHCTR-DJJJIMSYSA-N 449.295 4.957 30 10 IJEE COc1ccc(-c2nc(SCc3cc(Cl)ccc3OCC#N)nc(O)c2C#N)cc1 735231275 YSCVOSYQAMLHCH-UHFFFAOYSA-N 438.896 4.578 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 759208426 ZEKDBXFLCYKUPL-VQTJNVASSA-N 441.572 4.638 30 10 IJEE C[C@@H](OC(=O)c1c(Cl)cc(F)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 763566350 DTJCNWLLMPCNQA-MRVPVSSYSA-N 427.284 4.738 30 10 IJEE COc1cc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)c(Br)cc1O 777470693 VBNOWKLFGHXFPO-RUDMXATFSA-N 428.204 4.790 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(Cl)cc1Cl 787043678 BMLARVKHYDCJLB-FBUXBERBSA-N 437.273 4.961 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccc(Br)c2ccccc12)c1ccc(Cl)cc1 810469828 BFDILRYCURRCKW-SFHVURJKSA-N 441.712 4.685 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 916209632 PCNCGHRXVKAECC-SFHVURJKSA-N 431.920 4.934 30 10 IJEE COc1ccc(C(C)=NNc2nc(SCC(=O)Nc3cccc4ccccc34)n[nH]2)cc1 1084025846 XZQTWCOTFUYFOU-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1126567386 BIVUHKDPQJLDBT-RXFWQSSRSA-N 425.532 4.991 30 10 IJEE CC(C)c1ccc2c(Cl)c(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)sc2c1 1127220068 HSIRRNWLSZJBOT-CQSZACIVSA-N 439.972 4.691 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc(OC)c1OC 1129077040 KXEUNXDDGINABV-UHFFFAOYSA-N 438.524 4.935 30 10 IJEE C#CC[C@@H](NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 1137622553 QGEBYKFPLCSBKA-LJQANCHMSA-N 429.467 4.864 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NCc3cccc(OCc4ccc(F)cc4F)c3)C2=O)cc1 1201970238 GIXQVBSWHGCGKH-VWLOTQADSA-N 447.485 4.701 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccc(F)cc1 1203737404 WCFDNENGQCZNJB-OAHLLOKOSA-N 431.290 4.603 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)c1ccc(Br)cc1 1208516801 LKNTWYAZSSPIDY-IAGOWNOFSA-N 436.231 4.598 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Br)cc3nc(C)oc23)c1 1216784240 BZMHSKINIFMHLA-HNNXBMFYSA-N 443.301 4.901 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1230509877 BXQWDCPUPYLXIU-TZIWHRDSSA-N 442.918 4.804 30 10 IJEE C#CCN(C(=O)Cc1coc2cc(F)ccc12)[C@@H]1CCOc2ccc(Br)cc21 1265211038 ZXOKEBDVMIWRLE-LJQANCHMSA-N 442.284 4.863 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccccc2I)C(F)(F)F)cc1 1272443019 HUYRLNMVZVGZGK-HNNXBMFYSA-N 430.163 4.733 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C(F)(F)F)cc1 1272443048 IOFRCKOOPSIUNA-SFHVURJKSA-N 431.391 4.981 30 10 IJEE C#CCCOc1ccc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc1 1273829111 QJBFEZNDJNJSKG-UHFFFAOYSA-N 432.745 4.966 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc([C@@H](C)O)cc1 1286279278 LIVHVXCOSZBMNB-QZTJIDSGSA-N 434.609 4.835 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286337331 DUMMRUHUXFUPCE-CYFREDJKSA-N 431.584 4.627 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cnc(C)s1 1286346109 OUUIVPVFNCWETB-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(OCc2ccccc2)CC1 1286509275 XRTKHZAONUUIMT-UHFFFAOYSA-N 438.641 4.563 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286542911 DXYHWLBWXJLDJQ-WMLDXEAASA-N 448.236 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](CCC)C1 1286560882 JZBOEFPGOQXUKI-LQWHRVPQSA-N 430.980 4.585 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1286652111 SFNYFRSWKSUSQO-QGZVFWFLSA-N 427.559 4.858 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)=O)C[C@H]1C 1286682859 WSBOIDYOBLXKIQ-GOSISDBHSA-N 441.645 4.689 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCc1nnc(C)s1 1286730946 ULYFEZHJUXUHCF-UHFFFAOYSA-N 440.617 4.570 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1286835285 RNFHDYXYJWSFQI-OALUTQOASA-N 430.593 4.932 30 10 IJEE C#CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 1289233888 YVZFEYRDAIWWQD-IBGZPJMESA-N 427.298 4.819 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1291413193 IBDFQWYJVBXHGD-NTKDMRAZSA-N 442.567 4.567 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccccc2OC)nnc1N1CCC(C#N)CC1)OC 1291950991 AJGBPSYPDACYQG-NRFANRHFSA-N 425.577 4.535 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 1291955986 QUJPUMZXMXUUEY-DEOSSOPVSA-N 447.510 4.932 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2csc(C)n2)cc1 1292405934 FGGSFIXQBSFLRU-KRWDZBQOSA-N 435.977 4.771 30 10 IJEE CCN(Cc1nc(O)c2sccc2n1)c1nnc(-c2cccc(C#N)c2)n1CCC(C)C 1295671646 VKAUMUBRMUNGIM-UHFFFAOYSA-N 447.568 4.600 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300373260 TZIQHUIICRNFCI-JOCHJYFZSA-N 448.640 4.930 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 1300429798 COLJLEWRKFEQGD-AWEZNQCLSA-N 427.961 4.523 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCCOC2)C1 1301018123 VHAZWSITWVSUJS-XXBNENTESA-N 430.980 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301140888 FKQVLXGEMZKYLG-UHFFFAOYSA-N 439.501 4.570 30 10 IJEE C=CCCCn1c(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC3CC3)C2)nnc1C(C)(C)C 1301237035 MFCPFFHBFXBCSU-RTBURBONSA-N 431.625 4.671 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCC1(C)C 1301294921 UTGFPYUXHGEDFM-IBGZPJMESA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCN(C)C1CCCC1 1301340578 JBTBVKSJXPGLGM-UHFFFAOYSA-N 444.583 4.785 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC=CCC2)C1 1301542152 KPVNXQFVSGAVEE-JKSUJKDBSA-N 449.418 4.907 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(CSC)c2)C1 1301565480 CQZBKEQULUGIKS-JOCHJYFZSA-N 426.630 4.703 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1cc(Cl)cc(Br)c1OC 1309600106 NXFKRGIZXHTBPI-UHFFFAOYSA-N 435.698 4.746 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2ccc(Br)cc2Cl)CC1 1310054344 BFWKKKOGAPGRCF-UHFFFAOYSA-N 433.737 4.765 30 10 IJEE COc1cc(NC(=O)NCc2cc(C)cc(NC(=O)OC(C)(C)C)c2)c(F)cc1C#N 1311032878 CEVSLXPQOQIXGE-UHFFFAOYSA-N 428.464 4.683 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@H](C)[C@@H]3CCNC(=O)OC(C)(C)C)cc2n1 1311235544 NLQCWQJMCXIBBW-UWJYYQICSA-N 441.576 4.770 30 10 IJEE COC(=O)[C@@](C)(NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1 1352690221 HLNSXSCHZAUIOU-DEOSSOPVSA-N 434.879 4.822 30 10 IJEE C=CC[C@]1(C(=O)NCc2cc(F)ccc2Br)CCCN1C(=O)OC(C)(C)C 1357987966 QJEJTZKXKWNROS-HXUWFJFHSA-N 441.341 4.550 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1OCCC1(C)C 1358972980 ACRKDOHHSFSEQM-JOCHJYFZSA-N 448.567 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1scnc1C 1359003410 JWPUQWFNPOQJDH-HNNXBMFYSA-N 425.627 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(CC)C1CC1 1359105012 ITOFLXGAPYSKNA-JTSKRJEESA-N 428.602 4.549 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ncnn2C(C)(C)C)CC1 1359162081 COPFZHLJJVPUNX-UHFFFAOYSA-N 446.386 4.803 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1359180050 PQYLYJCGWMIBBO-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359198558 UJCSJGUCQDASSK-QAPCUYQASA-N 442.457 4.681 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1359222772 RRAFFXGATTUBEY-QFBILLFUSA-N 448.409 4.787 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cc(COC(C)(C)C)on1 1359232517 WVRFWNWAGHFAPP-UHFFFAOYSA-N 435.572 4.722 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@@H](C)c1ncc(C)s1 1359256438 FQRVYNRBXZLFGY-QGZVFWFLSA-N 432.597 4.864 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCc1csc(C)n1 1359260443 FBICZRIBMLCYGR-IBGZPJMESA-N 441.576 4.511 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1359260701 LYZGZDUOOCDMFM-INIZCTEOSA-N 425.577 4.802 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCOc1ccc(Cl)cn1 1359264521 HFYCMJFDFTWOFD-GOSISDBHSA-N 445.976 4.511 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1Cc1ccc(OC)nc1 1359276836 RPANGNPPOQTZHU-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(Cl)nc1 1359276906 VOXQAROFWLXFMQ-UHFFFAOYSA-N 444.926 4.742 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1359280382 OWIGYPVHBIUVCQ-WIYYLYMNSA-N 444.595 4.953 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1359473498 CXHFFMIOLFODQA-SFGWALBWSA-N 444.023 4.959 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1435175929 OBCGZBZHRIVICS-KSSFIOAISA-N 448.744 4.855 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1435512100 DTOKVGHMEWSKPZ-GHTZIAJQSA-N 430.335 4.514 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1436652093 WLIRCAOQFLUBTF-GOSISDBHSA-N 428.717 4.701 30 10 IJEE C=CCc1cc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)cc(OC)c1OC 1437547854 UEKXEXWXMHPQPN-XMMPIXPASA-N 429.944 4.607 30 10 IJEE C[C@H](c1ccccc1)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccccn1 1438647753 DTOIAHMGAPDFPT-YLJYHZDGSA-N 444.922 4.754 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1cccnc1 1458880553 ZFFUELXZFPCLJE-INIZCTEOSA-N 434.443 4.551 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@H](CCO)c3ccccc3)c2C#N)C1 1459837718 GCFVADKXQLSPTK-WIYYLYMNSA-N 439.625 4.813 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 1464622285 JAYZGRVVFOIJJO-HKUYNNGSSA-N 427.426 4.742 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1468481000 JBMOYGGDCCHESY-CTNGQTDRSA-N 431.577 4.742 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 1468604543 XMUXSFULIWUEQW-JOCHJYFZSA-N 427.976 4.759 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2ccc(Cl)c(Cl)c2)CC1 1472995899 FDUPCYOKFQVMRF-LJQANCHMSA-N 438.355 4.634 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)c1ccccc1 1476542609 BCCNGEPRPVZEMN-CQSZACIVSA-N 427.327 4.854 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](Cc2ccc(OC)cc2)C1)c1ccc(Br)cc1 1478895970 HZNLIHHVNXVPNK-PGRDOPGGSA-N 441.369 4.796 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1sc(C)nc1C 1507522976 ZPGGTFXOMSGTNZ-KGLIPLIRSA-N 425.627 4.711 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1507757009 SVKLFPVMQQGHFY-OAQYLSRUSA-N 437.638 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cscc1C 1507763449 VOXXIZXHAXQDOG-XMMPIXPASA-N 436.581 4.763 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C#N)o1 1507764023 IQNDQZNXAFPBRT-QMHKHESXSA-N 435.915 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(OC(C)C)c1 1507800131 MCIRKYJRDCHIOF-OFNKIYASSA-N 435.572 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(Cl)=C(Cl)C1 1507805140 IUOZNKXORPBCIP-UZLBHIALSA-N 425.404 4.891 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCc1cccs1 1507807385 VORNXCWWDOULNZ-WMZHIEFXSA-N 440.588 4.730 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507905611 WPVJOOJZRFSZRW-QFIPXVFZSA-N 427.662 4.701 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCc2c(ccnc2O)C1 1507942020 OPOBCBKQWRRLSO-UHFFFAOYSA-N 447.583 5.000 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(-c2ccsc2)nc1 1507986882 XOODHHIPEFJIIG-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1C[C@@H](C(C)C)N1CCOCC1 1508007022 PTYKIXONDBBBAA-QFIPXVFZSA-N 443.661 4.547 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1508157973 CNVASDFYOSDWHY-YWZLYKJASA-N 434.556 4.841 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1509946202 GGKPWXBNCJEPSI-PKOBYXMFSA-N 442.514 4.683 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@]2(C)CCO[C@H]2C2CC2)o1 1510782938 ADOHGJBWSXSNQA-URXFXBBRSA-N 425.577 4.818 30 10 IJEE C[C@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCCCC2)CCO1 1512013220 ARSXNWKKMNYVCH-PMACEKPBSA-N 437.588 4.703 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)nn1 1519422459 UMPRSYUXQJYHEX-UHFFFAOYSA-N 431.265 4.800 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(S(=O)(=O)C(F)F)c2)c1 1520385381 SRLCSRJJCOVIMI-UHFFFAOYSA-N 431.485 4.573 30 10 IJEE C#CC[C@@]1(C(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)CCCN1C(=O)OC(C)(C)C 1521634111 JODHZKLZQQRXEY-AMGIVPHBSA-N 438.612 4.994 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2CSC2CCCCC2)C1=O 1524312646 DSJHQRQKULQWJX-HXUWFJFHSA-N 426.582 4.858 30 10 IJEE CC(C)(C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1cccc(C(F)(F)F)c1 1524847662 ASIFDVNFFYMLRV-UHFFFAOYSA-N 435.877 4.857 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)c2C#N)CC[C@H]1C 1527535009 HDSPOKIKYFGNSS-OLZOCXBDSA-N 436.986 4.761 30 10 IJEE CC(C)COc1ccc(C2(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CCC2)cc1 1527690505 DGNZFIVMUFFPLM-UHFFFAOYSA-N 435.543 4.503 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C(F)(F)F)cc1 1532559863 VGGDGWQRAVFPDW-IFXJQAMLSA-N 439.792 4.660 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Cl)cc1F 1535504279 AKIJMZGDUKGHJF-KSSFIOAISA-N 427.932 4.796 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)OCc3ccc(Cl)cc3Br)C2)c(F)c1 1537942246 BUNWZJLQNJJVRM-ZDUSSCGKSA-N 437.696 4.683 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(Br)c(F)c1 1538053493 TXNAPFBMEFDDIL-HNNXBMFYSA-N 428.302 4.504 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1539133793 LFVAWBCLKDSGLM-OAQYLSRUSA-N 428.527 4.759 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)CC1 1539134249 UKWXKVLFSLXWQQ-UHFFFAOYSA-N 426.870 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@@H](F)c1ccc(Br)cc1 1539295744 FARJIZFWQFDBHR-VQIMIIECSA-N 431.353 4.728 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C2CC2)ccc1F 1539346543 GCEXEDIXRUHMKX-UHFFFAOYSA-N 442.336 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC=C(C(C)(C)C)CC1 1539638239 YIZWCJFVCOGNIO-GCJKJVERSA-N 441.645 4.798 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1539915639 CNVNAIVDLHPSFT-HSZRJFAPSA-N 431.584 4.940 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1539940280 PMKFUGHRSZLZOR-UYAOXDASSA-N 442.567 4.686 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1539988988 LWBBHNWXCBNYNP-RTBURBONSA-N 449.368 4.961 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1540006769 XHRKKKRDXVKONP-NRFANRHFSA-N 449.643 4.618 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ncc(C)s2)CC1 1540028032 HMXZKXDQJUDHHW-UHFFFAOYSA-N 448.596 4.558 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1540111996 RJAYKSCMVQYIGV-MRXNPFEDSA-N 445.995 4.590 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)s1 1543074036 ZASJTZBNBXMLQO-SFHVURJKSA-N 444.601 4.860 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCC(F)(F)F 1545505452 GCLPFZMKLXOEOT-KRWDZBQOSA-N 434.510 4.722 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](C)SC 1546040364 CRTPKZKYTZWGNA-GAJHUEQPSA-N 438.593 4.728 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)CCOCC1 1546125476 FQKLESNALHHDOB-MSOLQXFVSA-N 429.540 4.502 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC[C@@H]1C 1547999043 BEWKHAZNAVOILD-PZJWPPBQSA-N 437.588 4.822 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1sc(C)nc1C 1555903520 DPQUEDJHVKWPFS-CQSZACIVSA-N 426.615 4.516 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nnc1C1CC1 1559332780 RZUTVEDGABZHMX-QGZVFWFLSA-N 447.402 4.700 30 10 IJEE N#Cc1ccc(NC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cc1Br 1562779023 GGXKBUIUMKGPNE-LJQANCHMSA-N 426.314 4.706 30 10 IJEE C#CC[C@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C)c1ccccc1 1564384796 GDEMTTYQFWLCNZ-CTNGQTDRSA-N 425.573 4.572 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1C#N 1566643286 AOFRYOHZZWDEJK-UHFFFAOYSA-N 425.448 4.994 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC(C)=C(C)C2)c1 1568319386 ZNQOVDIVWKUXJF-UHFFFAOYSA-N 444.984 4.904 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 1568673396 KVWWFLMVBVNOTL-KGLIPLIRSA-N 449.762 4.969 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1583696261 YZPAIXVKFRULFG-WIYYLYMNSA-N 431.363 4.902 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(SCCOC)cc1 1585662244 XQVGGMLLZDZGPL-CRAIPNDOSA-N 443.009 4.638 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1586182640 DWGZOKJXPPIFEC-CECAUBDESA-N 449.389 4.767 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCCCC[C@H]3CC(=O)c3ccccc3)C2)c(F)c1 1587483734 HJMHIPYMJUFEAP-VXKWHMMOSA-N 433.527 4.568 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1587754416 DGQXFGMDKWQLMJ-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@H]1C(=C)C 1588271296 HPXIVQOZYCCBMU-SFTDATJTSA-N 447.608 4.818 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](CC(C)C)N(C)C 1588281201 ZTNIXQXDRAVGPS-QUCCMNQESA-N 427.662 4.567 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCC(F)(F)C(F)F 1588284536 TZHNKPOFVATADV-UHFFFAOYSA-N 440.485 4.619 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CCN(CC)CC1 1588452793 WBCCOYIVIYQMPW-UHFFFAOYSA-N 446.064 4.805 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCN2CCC)CC1 1594409310 VLECBPMUGGMJQN-QHCPKHFHSA-N 437.632 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC2CC2)CC1 1594472185 AEGRCBDRUFHGJM-UHFFFAOYSA-N 429.996 4.991 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCCC1 1594857634 NFFPOJYWFLFTRD-NRFANRHFSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1CC2(CCOCC2)C1 1594885852 QNPHNWUSUXDZPD-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCC1)C1CC1 1595021430 ZXCJHYUGKUXVKZ-KRWDZBQOSA-N 430.980 4.758 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CC[C@H]1CCCCO1 1595133824 NCAXYTYXUSVWOQ-IFMALSPDSA-N 428.552 4.811 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ncccc2C)C1 1595700858 SNZLMLBTSZYGCY-KRWDZBQOSA-N 444.366 4.785 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCSC2)C1 1595844380 ALMJQXPHANUVOX-VGOFRKELSA-N 448.633 4.810 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1595860354 MRJZVZQEXXKLES-INIZCTEOSA-N 428.631 4.784 30 10 IJEE C=C[C@@H](CC(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1596042909 AUBIFDOZDQSBLF-JTHBVZDNSA-N 442.600 4.611 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 1597191559 VCIWAYBMQQDGOC-YADHBBJMSA-N 427.386 4.890 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1Oc1cccc(I)c1 1597752581 XAUCFHJHKBIOOR-WBVHZDCISA-N 435.261 4.613 30 10 IJEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](C)C[C@H]1C 1617376634 DEWYRGQKCBXNAA-FLFXDLLNSA-N 434.536 4.576 30 10 IJEE C=CC[C@@]1(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1618189588 HLWRXEJEAZPZLZ-IQOKHDRSSA-N 448.991 4.974 30 10 IJEE COC(=O)C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1623163835 GOEUMIFIRNJVKI-QGZVFWFLSA-N 447.413 4.929 30 10 IJEE C=CCC[C@H](NC(=O)/C=C/C(=O)NCc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1623620598 KRIIZZPKHUDGQV-JLVIMGNISA-N 446.469 4.710 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1 1625278080 QSEQITNIIUZUOT-UHFFFAOYSA-N 440.540 4.660 30 10 IJEE COc1cc(NC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)c(F)cc1C#N 1626517748 DIOJTOCZAHFIGQ-CWTRNNRKSA-N 437.393 4.719 30 10 IJEE C#C[C@H](NC(=O)NC1(C(F)(F)F)CCC(F)(F)CC1)c1ccc(Br)cc1 1628041152 SSVFOSLYFQBIPL-ZDUSSCGKSA-N 439.222 4.933 30 10 IJEE C=CC1(CC(=O)N(C)[C@H](C)c2ccccc2Br)CN(C(=O)OC(C)(C)C)C1 1631214830 XMRJHVXXZWQTDL-OAHLLOKOSA-N 437.378 4.782 30 10 IJEE C=CCCC[C@@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)c1ccccc1 1633305959 OCEKGLQFLDUPQZ-QLSBTUPBSA-N 439.600 4.727 30 10 IJEE C=C(C)CONC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1636607282 UFWHINNUSKSBBP-GOSISDBHSA-N 440.396 4.961 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 1637345114 KCYBLYSXFSJBMN-QFIPXVFZSA-N 436.527 4.585 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)s1 1643591152 XWOXWJAMASTFII-DOMZBBRYSA-N 445.050 4.665 30 10 IJEE CCN(Cc1ccccc1Br)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 1645406402 GMDICZWYDAOTCE-CYBMUJFWSA-N 432.387 4.720 30 10 IJEE C#C[C@@H]1CCCN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 1654037145 XBGUWLXTUUTEAB-VGSWGCGISA-N 446.532 4.743 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(Br)c(F)c1 1656338507 NCFQTOZDJIFMFO-UHFFFAOYSA-N 427.111 4.653 30 10 IJEE O[C@](CNCc1cnn(-c2ccc(F)cc2)c1)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1657165260 GVWUTWWCBXZTEL-GOSISDBHSA-N 447.354 4.570 30 10 IJEE C#CCN(Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12)[C@H]1CCCc2ccccc21 1660323485 FTHRYHCWWGJMJW-QHCPKHFHSA-N 430.504 4.874 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc1C(F)(F)F 1661872640 ADTMUQMHUWYTCU-FQEVSTJZSA-N 444.478 4.882 30 10 IJEE Cc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3ccc(Cl)cc3C#N)s2)cc1 1662185967 DGGOTULIXWTCNK-CQSZACIVSA-N 431.970 4.992 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 1664219276 HFUNTYPDGTZUOP-SFHVURJKSA-N 442.478 4.960 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1668424577 HGFCPSKHTIEFHP-GOSISDBHSA-N 447.457 4.816 30 10 IJEE CC(C)[C@]1(CO)CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1673090254 BITBXZNIQGFRMI-OAHLLOKOSA-N 430.364 4.848 30 10 IJEE CCCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1673927204 GNMITOYFEBWXJU-HXUWFJFHSA-N 436.512 4.873 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc(F)cc4F)CC3)cc2)cc1 1673927238 HEBHMMGWNXLBQU-UHFFFAOYSA-N 434.446 4.983 30 10 IJEE C=CCc1cc(CNC(=O)NC[C@@H](C)c2ccc(Br)cc2)cc(OC)c1OC 1676275043 MWWUFSHUESJSMZ-OAHLLOKOSA-N 447.373 4.798 30 10 IJEE CCC(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N1CCOCC1 1676856058 AWDIUMVKHASAED-FNZWTVRRSA-N 448.611 4.722 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1F 1679442077 ZYCTZXREDJKXMC-OAQYLSRUSA-N 442.899 4.808 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 1681755565 BDFKEOMEKJEFRK-JLTOFOAXSA-N 440.341 4.532 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682089515 FPWHNKWBVXYOLI-TZIWHRDSSA-N 443.563 4.506 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 1683814075 KMKKKJBNBWPPNI-XMSQKQJNSA-N 442.604 4.911 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br 1684300120 MMCQMLLDVVFNTE-WIYYLYMNSA-N 429.358 4.608 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1)c1ccccc1 1684989300 SILKEFBCUCWUTM-OALUTQOASA-N 427.570 4.916 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1689910498 HXFSHRFFIYXRQM-NHCUHLMSSA-N 439.629 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CCc1nc(C(F)(F)F)cs1 1690200401 WFSHFQIYPRQHTR-OAQYLSRUSA-N 445.514 4.964 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C(C)(C)C)C1 1690241930 ZBONOPNCAACSSK-BJLQDIEVSA-N 429.996 4.847 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1690467985 OJNNQROUZLDKGO-IRXDYDNUSA-N 449.393 4.590 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)OC(C)(C)C1 1690497385 OPEPWLROPVOLLN-PZJWPPBQSA-N 442.604 4.631 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1Cc1c(C)noc1C 1690561268 JJCGDWJRBWPJIY-UHFFFAOYSA-N 444.564 4.648 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@H](C)C1 1690571829 KHEWOCBKGOALPU-RXVVDRJESA-N 436.579 4.908 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(C)CCCS1 1690611473 NJLBIFDXMCKRLE-HSZRJFAPSA-N 426.630 4.673 30 10 IJEE Cc1cccc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)n1 1693207598 GFVQNRPWGDUNHR-UHFFFAOYSA-N 441.366 4.938 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@@H](C)C1 1695729244 HDUMHKFZSJPXNT-AZUAARDMSA-N 435.597 4.762 30 10 IJEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 1697397868 ADHUIURMFXLGHB-QRQLOZEOSA-N 449.521 4.961 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H](C)CC#N 1697645326 DYNOTYSZGBZPAP-XQBPLPMBSA-N 449.555 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705595438 SUNPRZQBMIHQBZ-RDPSFJRHSA-N 443.595 4.731 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1705686767 KFPPQYNPLOZGAP-UHFFFAOYSA-N 445.321 4.505 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SC)C1 1705739978 YBTAYRBCSXDSBU-QFIPXVFZSA-N 444.645 4.789 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCCOc2ccc(C)cc2)CC1 1705783791 USUZITROGROJCX-UHFFFAOYSA-N 431.584 4.834 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccsc1 1705827135 VWEZVRADURNYFN-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1C 1705864881 BJRMYRVQUYFUNC-GHTZIAJQSA-N 433.581 4.743 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C(=O)NCC 1705871606 PTJOHCJVCZEJOP-UHFFFAOYSA-N 436.387 4.593 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@H](C)C1 1705880292 AWWFEQZQZJMNSP-URVUXULASA-N 428.577 4.553 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1C[C@@H](C1CCCCC1)N(C)C 1711072620 GMFAPHFATVUGEH-DEOSSOPVSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCc2cc(OC)ccc21 1722281147 HNZINJSMLPIPJG-APWZRJJASA-N 435.959 4.580 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722320628 FDIBWLOVRGMKDW-DEOSSOPVSA-N 436.600 4.673 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1722336037 GUAFRHXXYAEQJY-IBGZPJMESA-N 445.405 4.621 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1722401511 AQHQXVSICCVEOF-FCHUYYIVSA-N 436.625 4.547 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722486256 UPJLNZGBAPWZEA-SFHVURJKSA-N 444.377 4.509 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(C)=C(C)C1 1722501846 QLACPELPPWQEMB-WIOPSUGQSA-N 436.600 4.947 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1722521664 XQLNKCZUCCRWOB-TZIWHRDSSA-N 439.604 4.959 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1C[C@]1(N(C)C)CCSC1 1722660492 WTKGTUHBWXGDCM-XMMPIXPASA-N 443.636 4.705 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCCCC1 1722665691 GLOXHZIZDANCAC-UHFFFAOYSA-N 429.996 4.662 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C(F)(F)F 1722669321 QJXFUANVJDUQDV-UHFFFAOYSA-N 430.478 4.898 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1722691115 LEHQFWXQNYNWGC-MRXNPFEDSA-N 427.549 4.585 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@@H]2CCCC[C@H]2C)C[C@@H](C)S1 1726670790 GUXFWDQQLQHHHL-NXWNEQKCSA-N 439.629 4.742 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2C)n1CC1CCC(C(F)(F)F)CC1 1730760809 BCZYRBQSFDFNAP-UHFFFAOYSA-N 449.521 4.989 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CCC1 1740614223 JXRHPMJSNXTNCJ-UHFFFAOYSA-N 425.385 4.519 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1740673010 DGFXLNPZRNCACQ-DENIHFKCSA-N 439.654 4.535 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCS1 1740724362 AQJJYHLMPWAEON-SNYIIPAISA-N 440.613 4.705 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1740788693 ZIKYZHKWYPFFAI-YLJYHZDGSA-N 432.515 4.908 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CCCOC 1740803229 RDKLRKXNHGERDJ-INIZCTEOSA-N 427.376 4.914 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1740819953 KSGUUNPUMVHFEC-UYAOXDASSA-N 445.405 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)C1CCCCC1 1740894415 SLZBMGUUAJMEIV-JOCHJYFZSA-N 447.421 4.970 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CCCc1nc2c(s1)CCCC2 1740919773 RKSFOYOTVUSXIU-UHFFFAOYSA-N 425.577 4.886 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1csc(COC)n1 1740923072 CGSGOGVPGKDTHQ-UHFFFAOYSA-N 431.631 4.772 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1c(CC)noc1C 1740928049 SGVAXQCKLOWTBQ-UHFFFAOYSA-N 442.361 4.793 30 10 IJEE C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1741860012 DBRRMIMPUUGMFN-GOSISDBHSA-N 425.552 4.747 30 10 IJEE COc1c(Cn2c(-c3ccccn3)nnc2N(CCC#N)CCC(C)C)oc2ccccc12 1748506628 BCIIVXHACSQRFU-UHFFFAOYSA-N 444.539 4.909 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(CCOC)CC1 1748647501 OLXQXTZPHGZQEP-QGZVFWFLSA-N 435.597 4.652 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1748701119 CYUJUXFSKAWNNQ-DHIUTWEWSA-N 449.643 4.755 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749024390 PCMQMYOBRPRRRJ-UHFFFAOYSA-N 436.581 4.502 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1749090727 XGESNKKUNNRCHP-SFHVURJKSA-N 438.329 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1749136504 OGAAFGXFMQLSTQ-DYZUWXGSSA-N 438.616 4.937 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1749311587 SRYOKCQUHOPWDD-GDLZYMKVSA-N 432.659 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1749358669 OGKJUGWIZFQCJP-FQEVSTJZSA-N 427.499 4.732 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C2CC2)C1 1749429220 JIPSHDXTFMRUNP-UXHICEINSA-N 429.609 4.595 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1749465524 FUFLEQUHAUBURM-AQNXPRMDSA-N 429.584 4.547 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 1749508272 MWYFVPHQPDGVNC-SPEDKVCISA-N 426.536 4.693 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C)no1 1749591255 OVWTVZCHGDCCJA-UHFFFAOYSA-N 437.931 4.695 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)C2CCC(C)CC2)cc1 1749685788 KGMLLDWMTKJTMW-UHFFFAOYSA-N 431.584 4.892 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1 1751828754 HWPWRYZVKKUUOH-UHFFFAOYSA-N 445.615 4.848 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCSC1(C)C 1760210019 MAGQCDXTRYTZFR-MOPGFXCFSA-N 440.588 4.552 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 1760350969 XXMKYXNOQWQUTC-WIYYLYMNSA-N 448.608 4.728 30 10 IJEE C=C(Cn1c(-c2cccn2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccccc1 1760362231 DKMPDIRGDAMYQB-IBGZPJMESA-N 445.489 4.545 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(CCOC)CCC2)CC1 1760381895 CZIIDOBEJAKWTM-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2sc(C)nc2C)CC1 1760383902 CNLWRAAMGQYZHB-UHFFFAOYSA-N 447.406 4.508 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](SC)C(C)(C)C)CC1 1760384629 AWUOVSBBXBNPTO-HXUWFJFHSA-N 430.618 4.896 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccnc(SCC)c2)CC1 1760404413 DWBNBBVPBULJAP-UHFFFAOYSA-N 440.642 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760413503 KFUFBXVVMFUMNN-HFZDXXHNSA-N 438.616 4.554 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C 1760486685 WLWKYUWVWZJVEX-AUSIDOKSSA-N 430.618 4.715 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CC1CC(F)(F)C1 1761520144 BNUQPPUEJILSTB-OAHLLOKOSA-N 433.478 4.733 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCC1CCOCC1 1761520337 FLHYISZJWOYKIC-GOSISDBHSA-N 441.551 4.504 30 10 IJEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCc1nc(C(F)(F)F)cs1 1764751225 CAOZJWXQCKJILO-UHFFFAOYSA-N 446.502 4.599 30 10 IJEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1770903789 FHYWYPRNHLMVLP-ZJSXRUAMSA-N 444.583 4.514 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCC(C)C)C1)C(C)(C)C 1771397905 GNRKKJGPRXRZSX-NHCUHLMSSA-N 441.645 4.846 30 10 IJEE CCCCCCCCn1cc(OCCOc2ccccc2OCC)c(=O)cc1C(=O)O 1857890762 CGZVHJZEWOCXBM-UHFFFAOYSA-N 431.529 4.764 30 10 IJEE Cc1cc(=O)c(OCC(=O)OC2CCC(C(C)(C)C)CC2)cn1Cc1ccc(C#N)cc1 1857915720 MBSBUYPYPYHQKC-UHFFFAOYSA-N 436.552 4.604 30 10 IJEE CC[C@@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)OCc1ccccc1 1860463797 UITZYKBGERVDMJ-GOSISDBHSA-N 439.924 4.988 30 10 IJEE O=C(/C=C/c1cccc2ccccc12)C(=O)Nc1ccc(I)cc1F 1860727448 NGASPIBCKNDVPA-DHZHZOJOSA-N 445.231 4.805 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1 1862412750 MRANGJUSHHRRRO-JOCHJYFZSA-N 442.506 4.665 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(OCC)c1 1862437121 JXTFXSNJWUEZSL-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 1862445101 OJLVDXGQPIPVPL-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446190 MMCZKFSKWNFLGU-NRFANRHFSA-N 438.911 4.562 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)cc1 1862483328 ZWLODLORCWUGLT-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2F)c1 1862555391 DMMBHUQCOIDYGK-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590477 JNEAEULXGSLGNH-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862614016 VTMLMRKHYFNMCJ-HSZRJFAPSA-N 443.547 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 1862715857 SNHFPUOYRDYMPF-QHCPKHFHSA-N 433.479 4.720 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2C)cc1 1862737376 VUHJHJKDKQKSJY-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O 1863077516 QVSLKSRIHOWRCJ-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccc[nH]1 1864933528 ILFIOQMTSDLOEI-FQEVSTJZSA-N 441.620 4.745 30 10 IJEE CCC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866776571 VIPWTWJTABZELH-XZOQPEGZSA-N 435.568 4.929 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870559437 ANRDRHYACLQCTB-UHFFFAOYSA-N 440.587 4.558 30 10 IJEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871062960 UYKATPRNWMASPJ-UHFFFAOYSA-N 435.499 4.631 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871349853 XTXCCVAHUOUFET-XKZIYDEJSA-N 444.934 4.979 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871422277 IOGFCMGMXOJUKP-UUYOSTAYSA-N 431.444 4.733 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)N[C@@H](C)c3ccccc3)c2C)C1=O 1871424258 CLYLKYRLFBBKIU-XHFXOGKZSA-N 443.499 4.876 30 10 IJEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871580429 MJOIPMDECZAWAB-GOSISDBHSA-N 428.600 4.915 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](C)CC)S(=O)(=O)CCC 1871826474 UKWLENPKJJZZBF-QAPCUYQASA-N 434.524 4.677 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871869743 YTTTWWVOZXVRFM-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCC 1872172101 LURHMPWXLHDIGK-JOCHJYFZSA-N 438.634 4.837 30 10 IJEE Cc1sc(C2=C(N)N(Cc3cccc(C(F)(F)F)c3)CC2=O)nc1-c1ccc(F)cc1 1872724549 LCYXMEYEPCTQDZ-UHFFFAOYSA-N 447.457 4.989 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2cccnc2)C1=O 1873076577 VECXLGIDPYAUCG-UHFFFAOYSA-N 429.605 4.707 30 10 IJEE CCCCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCCOC(C)C)C1=O 1873077295 SQRCFPMRFINGLG-UHFFFAOYSA-N 429.605 4.707 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCCN(CC)CC)ncnc21 1873624933 YXBLBGMUEUPQRI-UHFFFAOYSA-N 434.588 4.747 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccco1 1874234486 KHUVIQCJMAUWCO-PCLIKHOPSA-N 448.548 4.737 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccn1C 1874311418 KQLNYXAOPSPGQS-YZSQISJMSA-N 445.592 4.893 30 10 IJEE OCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl 1874369850 URTFERXASXYWLB-UFFVCSGVSA-N 427.744 4.872 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)c(O)c1 1874402926 PSGKGXSXGZSKJC-CVKSISIWSA-N 448.523 4.788 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])Nc1nccs1 1874608764 GJFGVAPOVUXOSQ-FNORWQNLSA-N 443.868 4.618 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 1875159781 KXBFYVDKPMHUMF-BJMVGYQFSA-N 436.395 4.643 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1F 1877008294 CZFSREHRGGZSKV-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Br)c(C#N)c1)Cc1ccccc1 1885552361 OMEHXPWSUVNNAE-UHFFFAOYSA-N 444.329 4.697 30 10 IJEE CSc1cc(Br)cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 1890197426 UIYAOMDJOKAWBR-UHFFFAOYSA-N 431.355 4.726 30 10 IJEE COc1ccc(NC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)cc1Cl 1890674684 WNAWPNYCBWMWDR-UHFFFAOYSA-N 442.928 4.792 30 10 IJEE Cc1nc(Cl)c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)c1Br 1891208489 QUTJIZJFGQQZAT-UHFFFAOYSA-N 432.749 4.812 30 10 IJEE COc1ccc(-c2ccc(C(=O)N3CCC(COc4ncccc4C#N)CC3)cc2)cc1 1891478511 VIINCTISBHMHPD-UHFFFAOYSA-N 427.504 4.560 30 10 IJEE C=CCNC(=O)c1nc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cs1 1891576183 UEHHYJOFAFOLIZ-UHFFFAOYSA-N 434.546 4.896 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1892137225 ZNCJEULGBMHPJC-RTWAWAEBSA-N 427.957 4.552 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3ccc(Cl)c(Br)c3)CC2)OC1(C)C 1963797183 VVSUSVUKKUBEOC-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE N#Cc1cc2c(nc1NCCNC(=O)OCC1c3ccccc3-c3ccccc31)CCCC2 1978828433 LWIRBSFCKASRDI-UHFFFAOYSA-N 438.531 4.783 30 10 IJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1987480428 UETYJWZZBFSLHH-YADHBBJMSA-N 432.681 4.736 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2079857206 YPDBCPAKCTVUDY-QGZVFWFLSA-N 447.320 4.809 30 10 IJEE CCOc1ccc([C@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1 2080070546 DRGKSOQKMZEBHU-INIZCTEOSA-N 441.313 4.638 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2cc(C(F)(F)F)ccc2F)c1I 2080875436 NCILNINQHFXYBA-UHFFFAOYSA-N 438.084 4.868 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(C)c(Br)s1 2082335477 ICKFBXRRIHVVKT-CQSZACIVSA-N 430.412 4.963 30 10 IJEE C[C@@]1(C2CC2)CN(c2cc(Br)c(C#N)cc2F)CCN1Cc1ccccc1 2151099884 GTJLMXYDYFUWCO-QFIPXVFZSA-N 428.349 4.951 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(c3cc(Br)cc(F)c3C#N)C[C@@]2(C)C1 2174810978 SEPUGRGJOFNWAG-PMACEKPBSA-N 438.341 4.543 30 10 IJEE C[C@H](NC(=O)c1cc(Cl)c(Cl)s1)c1cscc1B1OC(C)(C)C(C)(C)O1 2186628132 OUKNQRHADNNJSA-VIFPVBQESA-N 432.203 4.907 30 10 IJEE CCC1(CC)CSC(=Nc2ccc(Br)cc2I)N1 2223679659 SERZBDPRDAFKCD-UHFFFAOYSA-N 439.160 4.936 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2235730494 VIBIXYFWHOQZDZ-RBUKOAKNSA-N 435.406 4.720 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1ccc(N(C)C(=O)OC(C)(C)C)nc1 2235732819 SPLWLGWTCNGINK-SFHVURJKSA-N 430.346 4.528 30 10 IJEE COc1ccc(C#C[C@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2237737583 FYSSUDCLPVWKEK-SFHVURJKSA-N 431.330 4.856 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2262203023 CEOKHMLHIZJJMU-PXDATVDWSA-N 447.572 4.655 30 10 IJEE CC1(C)OB([C@H]2C[C@@H](C(=O)N3[C@H]4CCC[C@H]3CN(Cc3ccccc3)CC4)C2)OC1(C)C 2267115808 LQGQSNOYVUNUCL-BJESRGMDSA-N 438.421 4.514 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2296218295 CLTRMNFAGCNVIH-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2296221322 HRGCXCKEHGUAGM-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H](C#Cc2ccc(Br)cc2)NC)C1 2296293478 JZIYXYQXPKLBFG-UXPWSPDFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(C[C@H](N)C#Cc1ccc(Br)cc1)C(F)(F)F 2296301702 YDRDDRLHNGQKJI-CRAIPNDOSA-N 449.311 4.611 30 10 IJEE COc1ccccc1C=C1Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O 2296604943 KZGQIIARGVDVPX-UHFFFAOYSA-N 442.876 4.733 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 2322193423 PDZRICIIYQPOLA-UHFFFAOYSA-N 447.512 4.546 30 10 IJEE COC(=O)c1ccc(COc2c(C=CC(=O)c3ccc(F)cc3F)cccc2OC)o1 2322502620 SDIWPRFQESPVMW-UHFFFAOYSA-N 428.387 4.828 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2325740386 VATQSLFFDHEMEK-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2327635720 OPAKVYKERKKSQQ-UHFFFAOYSA-N 425.945 4.996 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)c1 2328618956 FEZBNOVTTHBBDD-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1cccn1C 2328691553 SWLHKKAAQADBFE-UHFFFAOYSA-N 449.555 4.724 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1ccccc1 2330209707 PIQVUJQVBHPTSE-UHFFFAOYSA-N 449.624 4.686 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1ccco1)Nc1ccc(F)cc1 2330235778 BDLZXPVWEVVPGU-UHFFFAOYSA-N 441.532 4.746 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2330804560 SGFZKTUVOYYLKS-UHFFFAOYSA-N 446.580 4.961 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 2330989893 SBKUUARMXGIDQE-IBGZPJMESA-N 428.945 4.966 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)c1O 2331071738 NDYFVBAPQSPCAM-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2cnccn2)c(OC)c1 2331351563 FIDQYUQEDXYBFN-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccc(F)cc1F)Nc1ccccc1F 2331485721 UUIDQYBNXZJQOJ-UHFFFAOYSA-N 445.470 4.576 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc(F)c1)c1ccccc1 2331543827 ZZOYSDAMABNCCJ-MRXNPFEDSA-N 437.544 4.536 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)c(OCC)c1 2331735272 BKERUGBPGWMVEZ-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(COC)c1 2337143806 BHUXUVJUJSFOTO-ROUUACIJSA-N 427.383 4.716 30 10 IJEE CCc1csc(C#C[C@@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)n1 2338593721 CYYUDHMBPHBBFB-MRXNPFEDSA-N 436.375 4.867 30 10 IJEE CC1(C)OB(c2ccc(NCC3(CCOCc4ccccc4)CC3)c(C#N)c2)OC1(C)C 2339440455 JNZPZDZLRIDWPI-UHFFFAOYSA-N 432.373 4.656 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339585352 NXOOUVQGVZFIMB-UBJZUDALSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@@H](O)C#Cc1ccccc1Br 2363476619 LYYFGSUYMFTBIX-OALUTQOASA-N 436.390 4.977 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364749416 NKOIMJHHSVQGGS-UHFFFAOYSA-N 449.360 4.817 30 10 IJEE CC1(C)OB(c2ccc(COc3ccc(F)c(Br)c3)c(F)c2)OC1(C)C 2369095056 VARGIDYHZSEVBL-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nccn1-c1cccc(C)c1C 25401786 HSPYIPHWMYOQPL-LJQANCHMSA-N 434.565 4.925 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(F)c2)Nc2cccc(C)c2C)c1C 32973386 LARMKBVLYAYRFR-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE C=CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 35871925 HKIZPQHMPAPCJL-PZJWPPBQSA-N 449.904 4.529 30 10 IJEE C=CCn1c(CCc2ccc(I)cc2)nnc1SCCC(C)C 59265394 DGLRGQIHOSXJEP-UHFFFAOYSA-N 441.382 4.992 30 10 IJEE C=CCn1c(SCC(=O)NCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 59775488 GZEKVSRHZAYMKA-UHFFFAOYSA-N 432.471 4.558 30 10 IJEE C/C(=N\Nc1nc(SCc2nnc(C3CCC3)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59879838 LILNBSMRXVTNQD-FSJBWODESA-N 427.578 4.752 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccc(Br)cc2)n[nH]1 59891171 RGWPCDFHRNVKBR-CIAFOILYSA-N 439.383 4.666 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1 66227307 SWXONHXTAQMJFY-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE COCCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)S/C1=N/c1ccccc1 96584972 KHQQAOOBRYIXIM-KWZOLKRCSA-N 448.500 4.895 30 10 IJEE Cn1c(CN(CC=O)C(=O)OCC2c3ccccc3-c3ccccc32)nc2ccccc21 98177533 GZOFDKAHQDHNKN-UHFFFAOYSA-N 425.488 4.523 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)c1 102710247 IZQSOHCCNUMCAG-RKKARLDVSA-N 432.476 4.741 30 10 IJEE Cc1nc(COc2cccc(/C=C/C(=O)N[C@H](C#N)c3ccc(F)cc3F)c2)cs1 111029670 DXCIKPCHILMJLX-WKOQKXSESA-N 425.460 4.703 30 10 IJEE CCCN1C(=S)N[C@H](c2cc(Cl)c(OC)c(Cl)c2OC)C2=C1CCCC2=O 169929818 HUSXTVLFKKYTCB-MRXNPFEDSA-N 429.369 4.659 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccncc2)c1 170015139 UORYAWWYNZZISU-DEOSSOPVSA-N 428.488 4.582 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@@H]1c1ccncc1 170021953 UYSLDJPHJNHDNG-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 170062219 RNQXUWZPSIMSDS-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2C)cc1 170088745 XMIVTNUCQDPLDZ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)c1 170090237 HCSTZLVTIWSCLS-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)c1 170154184 ZFZILDKIQVWFTR-LJQANCHMSA-N 441.530 4.605 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)cc1C 170204634 LUGLYNZODNNIOC-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2)c(OC)c1 170236980 MSAXPKPGEXBMEL-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1 170260656 JBHYPFYFLHXCFE-QHCPKHFHSA-N 447.487 4.799 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(C)o1 170299777 BMMNPAKVVJBIMA-NRFANRHFSA-N 437.423 4.527 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C)o1 170310318 WYHFABDBKKMDOM-HSZRJFAPSA-N 432.520 4.661 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccn1)c1ccccc1 170416666 KXSSUAINOOSKPU-HXUWFJFHSA-N 438.405 4.879 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCCOc1ccc(Cl)cc1 170536775 PYXYUNJKZRVXBH-UHFFFAOYSA-N 431.883 4.743 30 10 IJEE Cc1nc2n(N=Cc3ccc([N+](=O)[O-])cc3)c3ccccc3n2c1C(=O)c1cccs1 252624109 PGMKIGRNAFDAAM-UHFFFAOYSA-N 429.461 4.680 30 10 IJEE C=CCn1c(-c2ccc(OCC)cc2)csc1=Nc1c(-c2ccccc2)n(C)n(C)c1=O 254313073 ZUBXYKKESUDWGW-UHFFFAOYSA-N 446.576 4.738 30 10 IJEE CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(F)cc1 489681041 CQHOMTMZPIDRLK-GFCCVEGCSA-N 441.557 4.645 30 10 IJEE O=C(c1ccc(OCC(F)(F)F)cn1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 512372021 PKAAQFFHOJIBDA-KRWDZBQOSA-N 436.327 4.752 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])s2)c1 526606777 OPTKJKZMVUBEFF-NRFANRHFSA-N 447.472 4.984 30 10 IJEE COc1cccc([C@H](CNC(=O)Cc2cccc(C#N)c2)c2c[nH]c3ccccc23)c1OC 531149358 QAIKUSUSUAGEIG-QHCPKHFHSA-N 439.515 4.548 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3-c3ccccc3)n2C[C@H]2CCCO2)CC1 549517194 OPPKENKLUHHTSE-JOCHJYFZSA-N 430.552 4.860 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccccc2)CC1 549529968 YOFVVJPQPJRXOK-UHFFFAOYSA-N 436.357 4.886 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 559025533 CDSFOTMKSBBVTH-DVECYGJZSA-N 445.542 4.963 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)cc1 561030740 PYOMEUSICOOSDN-UHFFFAOYSA-N 445.548 4.785 30 10 IJEE C[C@@H]1CN(C(=O)Nc2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)C[C@@H](C)O1 586681708 GQZBXZGAOMHKNV-HUUCEWRRSA-N 440.569 4.811 30 10 IJEE CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1=O 609068022 FSKWYTJONAPYQS-ZBFHGGJFSA-N 427.451 4.665 30 10 IJEE C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F 614605014 QHLZFKHVESPZKL-UHFFFAOYSA-N 440.306 4.906 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 733201038 IXKAEZFNTJNDAS-QFIPXVFZSA-N 449.576 4.802 30 10 IJEE CC(C)c1nc(C(=O)OCc2cc(Cl)ccc2OCC#N)nn1-c1ccccc1Cl 735346419 NFHSAFKDCMJGTL-UHFFFAOYSA-N 445.306 4.957 30 10 IJEE CC(=NOCc1nc(C)c2ccccc2n1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 774807287 GCGCZBFOVKOCLQ-UHFFFAOYSA-N 440.429 4.787 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CCCN3c3ncnc4ccccc34)n2)cc1 783077432 QRPAORDJYPCGIC-UGKGYDQZSA-N 439.544 4.907 30 10 IJEE COc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1C#N 790782080 JXNTVEVYYKKKPR-OAQYLSRUSA-N 447.457 4.553 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 804454651 RWKJJWBPMLJUNK-OAHLLOKOSA-N 449.288 4.573 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2F)n[nH]1 1084197983 PDYCEVZPOODFQK-XETYBRLSSA-N 444.923 4.829 30 10 IJEE Oc1c(Br)cc(Br)cc1C=Nc1ccc2c(c1)OC(F)(F)O2 1084270242 CQHAJHBDWCBJRO-UHFFFAOYSA-N 435.018 4.989 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1nc(-c2ccccc2)cs1 1124353523 ZGZUHRKMZKEZTB-FQEVSTJZSA-N 449.551 4.559 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 1125540156 VOTGKWIUWUNTMU-UHFFFAOYSA-N 438.955 4.853 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)CC3CCN(CC(F)(F)F)CC3)c2)c1 1141690320 HSKXLKSVNKAHMI-UHFFFAOYSA-N 431.458 4.740 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 1148500451 YIULFZXGOQMJSD-UHFFFAOYSA-N 433.208 4.647 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)C1 1148643469 MMWIOYFKVGCLFI-QGZVFWFLSA-N 432.973 4.796 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 1183358621 DXYCSISTIKHTKN-INIZCTEOSA-N 439.606 4.734 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1-c1cccc(OC)c1 1185685863 XDJYPXMMBMIRHS-UHFFFAOYSA-N 447.314 4.962 30 10 IJEE CN(C)CCCn1c(S[C@@H](C#N)C2CCCCC2)nc2sc3c(c2c1=O)CCCC3 1188224387 AIIKVBKTAPLQBT-IBGZPJMESA-N 444.670 4.853 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C(C)C 1221031551 FFEYNDWNAGBXET-IRLDBZIGSA-N 433.552 4.664 30 10 IJEE C#CCN(C(=O)NCc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1230879294 NTVXUXLKQODYBJ-UHFFFAOYSA-N 440.371 4.538 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)NCCN(Cc1ccccc1)c1ccccn1 1248457518 CEQAKYFBAPJAID-UHFFFAOYSA-N 427.552 4.582 30 10 IJEE C#C[C@H](NC(=O)NC1(c2cc(Br)ccc2OC)CC1)c1ccc(Cl)cc1 1252449370 PIJZSCKHVYJZJW-KRWDZBQOSA-N 433.733 4.774 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2Cl)C1)c1ccc(Br)cc1 1252459309 QIQXUGQOLKZLRW-MOPGFXCFSA-N 433.733 4.560 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1 1264764801 WFFDIJRTZIVCQC-UHFFFAOYSA-N 444.469 4.920 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1 1265428304 LXIFMIHEKYJJEG-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H](C)SC 1286520233 BXSFDSMZIIEAIN-MHECFPHRSA-N 442.629 4.876 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 1286556611 DYFNZPKUCDFACM-RDPSFJRHSA-N 438.616 4.728 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286604454 TVRVECZJLDUMBY-SJLPKXTDSA-N 445.489 4.721 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2nc(C(C)(C)C)cs2)CC1 1286663111 GRYYKLKGLDLDDK-SFHVURJKSA-N 429.634 4.919 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1cccc(C)c1 1286724867 NJFVZCWQHFKCEO-NRFANRHFSA-N 439.604 4.566 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCN1CC=CCC1 1286763584 MUOYVMHVIMGPIF-UHFFFAOYSA-N 437.975 4.689 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)C1 1286809786 VNGHXAKWFNGQAJ-UTKZUKDTSA-N 430.980 4.838 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)CN(C(=O)OC(C)(C)C)C1 1290443923 ZJFJJBPFNZIZMZ-UHFFFAOYSA-N 430.545 4.768 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl 1295754250 ATVIDNVXDGIDIG-JQFCIGGWSA-N 431.360 4.568 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1csc(C)n1 1300284189 QGAKDQJJNWBYAE-LSDHHAIUSA-N 425.627 4.597 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CC1CCN(CCC(C)C)CC1 1300807690 DUPWNPPKQAXDCD-MUUNZHRXSA-N 447.671 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](OC)C(C)(C)C 1300896131 YUIPJDYNROAZEW-HXUWFJFHSA-N 427.593 4.611 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1300939168 QUCLMOLPQSVIRA-LJQANCHMSA-N 436.991 4.670 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301028890 DFMFXLZHINBJOV-DYESRHJHSA-N 432.996 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1301080847 WHSDBMDYNQESPP-DEOSSOPVSA-N 430.600 4.888 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCN2CC)CC1 1301105114 DQMYEPVTLVGKDK-DENIHFKCSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CCCC1 1301150287 QPDIFMRRAWQPEN-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1301166042 ORLCWRXXXVTZRF-LVXARBLLSA-N 446.599 4.736 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1 1301177084 RDKPJDXUTLLYGZ-UHFFFAOYSA-N 432.341 4.943 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1nc(C(F)(F)F)cs1 1301340009 BFVNKGCKRLMSGD-UHFFFAOYSA-N 446.502 4.989 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1C[C@H](C)O[C@@H](C)C1 1301359893 RDAZQZMADKOHSU-ROUUACIJSA-N 425.602 4.741 30 10 IJEE COCCC1(Cn2c(-c3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1301471460 HENSGXAUZRPKAA-HSZRJFAPSA-N 429.515 4.513 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCOC(C)C)C1 1301542608 PKCIKUCGPMLOPV-AZUAARDMSA-N 444.645 4.728 30 10 IJEE C=C[C@H](O)C(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 1303376705 KQYCMRJHAXQDNK-INIZCTEOSA-N 428.685 4.539 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2Br)C1 1306366463 FLLANZFCVSYIEO-CQSZACIVSA-N 442.386 4.925 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc(I)cc1)c1ccccc1 1309807170 LLIYPQULIQBXDI-SFHVURJKSA-N 441.334 4.667 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 1310573573 ORYHEGDXJYNLKE-UHFFFAOYSA-N 430.483 4.706 30 10 IJEE CC[C@@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccccc1OCC(=O)N(C)C 1310781590 FOOXNWHUIRZYNO-GOSISDBHSA-N 442.585 4.657 30 10 IJEE C#CCN(CC1CC1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1311360465 PSTGPGSTJYQBOO-OAQYLSRUSA-N 428.001 4.556 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(n2cnc3ccccc3c2=O)CC1)c1ccccc1 1313220440 VWFHSWLMCAZJGU-HSZRJFAPSA-N 430.552 4.841 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccccc2C(F)(F)F)CC1 1316537309 AXEXLBKJMRDVJZ-UHFFFAOYSA-N 428.462 4.665 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 1351623260 RIFROCSUXLMPOH-UHFFFAOYSA-N 430.504 4.893 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cnc(-c2ccccc2Br)s1 1353667254 LPRNWHGYRHUYJF-UHFFFAOYSA-N 427.323 4.515 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1358905698 ITQWTWRJOXVFRV-APWZRJJASA-N 430.394 4.998 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(C)(C)OC[C@@H]1C 1358923566 TYWDMERLGGABKX-IBGZPJMESA-N 434.540 4.534 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1[C@@H]1C[C@H]1C(C)C 1358996675 NTPMPQUQMWNVGH-FCHUYYIVSA-N 439.003 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CCOCC)CC1 1359066020 LBCSQALTLLJNAU-HSZRJFAPSA-N 444.526 4.745 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1scnc1C 1359110884 GGIWQWFFNHDFFG-UHFFFAOYSA-N 433.585 4.541 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(F)cc1)C1CC1 1359128968 LUCYJLFVIFTNTE-UHFFFAOYSA-N 441.938 4.894 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1359209684 WDDFNKAWPQAERZ-GOSISDBHSA-N 429.996 4.697 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccco1 1359219065 FZGQTPJJKXALGK-UHFFFAOYSA-N 431.334 4.815 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N(C)Cc1ccc(Br)s1 1359224172 IUWXHAKSANJVJL-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1Cc1ccc(-c2ccsc2)nc1 1359256016 RSUSEOAEOPDIEK-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C 1359257059 XZNXWWJRJWADMX-BKMJKUGQSA-N 449.599 4.525 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1359289491 KPQPMCQCKIUWQK-IRXDYDNUSA-N 431.378 4.822 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)CCCN1C(=O)OC(C)(C)C 1439499939 ICEBYUNAWIEZQN-QHCPKHFHSA-N 447.963 4.973 30 10 IJEE C#CC1CCN(C(=O)[C@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1452174044 FNEKUWBKWCRQNT-SANMLTNESA-N 442.559 4.732 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 1453968230 MSHQAWWJOGYORG-GOSISDBHSA-N 431.533 4.587 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3OCc3ccccc3)cc2C1=O 1458507338 OXCLVPBETGJHPK-SFHVURJKSA-N 440.499 4.539 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(Br)cs1 1458872272 FOBYZPDALSFKND-UHFFFAOYSA-N 427.437 4.609 30 10 IJEE CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1CCC(=O)Nc1ccc(C#N)cc1 1460166162 BYKVHLJHEMTRDO-DEOSSOPVSA-N 439.003 4.773 30 10 IJEE C=CCOc1ccc(CN[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1OC 1461095461 LXHHAUOVKCJFKZ-NRFANRHFSA-N 444.531 4.947 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)Cc2nc(C(F)(F)F)cs2)cc1 1464338330 GBZVLZUVCAGPOM-UHFFFAOYSA-N 431.439 4.988 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1nncn1C(C)C 1465633908 DPFVKFYQJACGIP-LJQANCHMSA-N 427.549 4.714 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@H](OC)c1ccc(OC)cc1 1466816713 LRADUBUUXAHUBO-VLIAUNLRSA-N 449.345 4.920 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCOC[C@@H]1c1ccc(CC)o1 1466817066 VBYCPXUFATXWCM-QGZVFWFLSA-N 435.318 4.775 30 10 IJEE C=CCn1c(SC[C@@H]2CCCC[C@@H]2C(=O)OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472908034 OOVFLXONYOXTPN-JYJNAYRXSA-N 446.638 4.840 30 10 IJEE C=CCCCSc1nc(C[C@@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1472978183 HCSYXTUYKRQUCX-ULQDDVLXSA-N 428.602 4.585 30 10 IJEE C=CCC[C@@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1473317234 MXCWWJKPTVZYOQ-GOSISDBHSA-N 432.895 4.803 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CC(N)=O)C3CCCCC3)cc2Cl)cc1 1476017144 FYQBFBQIBNGFSE-HXUWFJFHSA-N 440.931 4.950 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CC#N)N(C)C 1496627728 DHBOMFFFGRBQGG-CYFREDJKSA-N 447.631 4.907 30 10 IJEE C=C(Br)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1 1507776996 CHHPHPPYMCLVQD-UHFFFAOYSA-N 444.146 4.602 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)CCCc1ccc(OC)cc1 1507783861 HCRCNWMRTKQVEW-UHFFFAOYSA-N 433.394 4.922 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(Cl)=C(Cl)C1 1507805134 IUOZNKXORPBCIP-OXJNMPFZSA-N 425.404 4.891 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507827091 SFPHUSXPIRFZNN-SJORKVTESA-N 432.410 4.511 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(N(C)C)CCCC2)CC1 1507882195 XBSFVSPRMWNRGU-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1507914129 IMJYOZVVZBMXNI-UHFFFAOYSA-N 425.621 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1507917476 PKWXOJGTQPTWCZ-GOSISDBHSA-N 432.634 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2OC)CC1 1507918219 DAZQCNKSWKSMDY-UHFFFAOYSA-N 437.632 4.948 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccoc2CC(C)(C)C1 1507929989 XHOJCGDSJJNIDK-UHFFFAOYSA-N 427.593 4.735 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2ccccn2)CC1 1507944131 OWIGUHBLESYIHO-QFIPXVFZSA-N 446.599 4.723 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H]1CCCCO1 1507944584 UPROZMQITCUSBP-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1507959484 PXILFXGNIILGKM-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1sc(C)nc1C 1508004231 BLJAXFOMUTYHJJ-UHFFFAOYSA-N 434.544 4.793 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccn(C)n1 1508006739 VJCLFWXYYMPFJZ-QFIPXVFZSA-N 432.597 4.856 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1csc(-c2ccco2)n1 1508021753 QQRAWMYSTIPKLT-UHFFFAOYSA-N 438.582 4.577 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1508073307 JJNMEOOUIFSFDO-GOEBONIOSA-N 436.387 4.569 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCC[C@H]2C)C1 1508115348 IVNLIMXNFXANSK-DENIHFKCSA-N 444.023 4.644 30 10 IJEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1509365346 FFGXLBHGHMCZQX-NFBKMPQASA-N 439.604 4.662 30 10 IJEE C#CCN(C(=O)c1coc2c(OC)cccc12)[C@H]1CCOc2ccc(Br)cc21 1521818247 APOPFEOVTKRUSJ-SFHVURJKSA-N 440.293 4.803 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)CC)c1 1522716835 ASJQZNGPGLXLJN-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cc2cc(OC)ccc2Br)cc1 1523871961 ZNWRGQYGWILDAW-UHFFFAOYSA-N 432.314 4.648 30 10 IJEE C#CC[C@]1(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)CCCN1C(=O)OC(C)(C)C 1524910680 LUSVCPZXOMUZOA-XMMPIXPASA-N 428.960 4.749 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2cccc(OCc3ccccc3Cl)c2)c1 1525998318 QAYIGPYEODRBIQ-UHFFFAOYSA-N 446.934 4.540 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1527592084 MPFYVWWCFPLPGT-CYFREDJKSA-N 430.545 4.784 30 10 IJEE N#CCCN(C(=O)CCC(=O)Nc1cccc(OCc2ccccc2)c1)c1ccccc1 1531077124 BTLVYBAYUTVYEU-UHFFFAOYSA-N 427.504 4.931 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)OCC 1531649306 GPBJNECUGOHMNH-FQEVSTJZSA-N 434.458 4.945 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCCC)cc2Cl)cc1 1534001770 AHAJTZHHIXNENH-UHFFFAOYSA-N 436.961 4.578 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c(C#N)s1 1535488389 GVUNNHVEPFBOGN-GFCCVEGCSA-N 446.370 4.671 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(C(=O)OC)c3ccccc3c2)CCCN1C(=O)OC(C)(C)C 1536482920 DEXDCUGXGQXDKX-RUZDIDTESA-N 438.524 4.911 30 10 IJEE Cc1cc(OCc2ccccc2)c(C(=O)Nc2ccc(Br)c(C#N)n2)s1 1537244902 GPXSSLSGBBDPBI-UHFFFAOYSA-N 428.311 4.917 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Cc1ccc(I)c(Br)c1 1538891577 MCZJPNFPJSEDMV-CYBMUJFWSA-N 448.142 4.553 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1 1539087466 UWCORYHUZWIDNK-UHFFFAOYSA-N 429.977 4.960 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCSc1nccs1 1539148741 RKLQSJDYDSSZNO-GOSISDBHSA-N 441.626 4.743 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCc2cccnc21 1539194523 CCYQYGIHKPYWJX-NRFANRHFSA-N 443.595 4.739 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]32)c1 1539458074 IPCLMUCNQYECMI-KNXBSLHKSA-N 444.984 4.640 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@H]1C 1539533396 PMDKVBLSPGXXKH-STZQEDGTSA-N 438.641 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCc1c[nH]c2c(CC)cccc12 1539673944 AQKKJWDUDPGAFD-UHFFFAOYSA-N 428.584 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539910669 YWNWZTUGVYNXFE-SANMLTNESA-N 435.616 4.561 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 1539947496 KIERYAAYMCPKLN-GOTSBHOMSA-N 437.632 4.578 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)[C@@H](C)C1)c1ccccc1 1539947507 KJQFISLPLJIGKJ-MZLICYQSSA-N 432.616 4.982 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C)CC1 1540029116 MBWQDUCBNDLKOQ-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1csc(CC)n1 1540047865 NRAOBMXEZYQRGX-SFHVURJKSA-N 425.602 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1540058219 BFLZGBATXYPVDJ-YQQAZPJKSA-N 431.378 4.775 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCc1nccs1)C1CC1 1540102600 ZVSQLYHHKNVBNP-UHFFFAOYSA-N 429.977 4.851 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1CCCSC 1540121733 MHFRTQAVYZULRC-UHFFFAOYSA-N 438.988 4.811 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@]1(O)CCCC1(C)C 1540121925 XZEZIMJFSHNIEF-RUZDIDTESA-N 426.605 4.619 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC(C)CC1 1540139572 AYNMXRBNKFKVBO-UHFFFAOYSA-N 446.624 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCN1CCC[C@H](C)C1 1540147582 TUTRYLVROGGLNW-PZJWPPBQSA-N 429.634 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCO[C@@H]1C(C)C 1540174495 MZINWCHMAHFOTP-WIOPSUGQSA-N 433.600 4.911 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)cc1 1540674074 BVULMRMJTLETDZ-UHFFFAOYSA-N 433.430 4.953 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCC(=C)C)C1 1540885829 PUKRKKHJXQODBU-ICSRJNTNSA-N 442.629 4.505 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C/C=C\CC)C1 1540896165 HVHNKHUHTAWDQR-KEGWNNHHSA-N 437.371 4.911 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCCN(c2ccccc2)CC1 1540919207 JNSJGYXUEQMKCB-UHFFFAOYSA-N 425.646 4.647 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)CN(C(=O)OC(C)(C)C)C1 1542803954 TXNONLVANVJGIN-UHFFFAOYSA-N 446.551 4.992 30 10 IJEE C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 1544252639 AZHAKQUSZAJJHB-AUSIDOKSSA-N 443.522 4.957 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1544936892 ITWKMOPUMIXWEY-UHFFFAOYSA-N 437.418 4.639 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 1545339747 CNKZPJINLRAJSE-RHSMWYFYSA-N 448.951 4.817 30 10 IJEE C=CCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@H](Cc1ccccc1)C(=O)OCC 1556205028 MNJVCMRJUORRHE-RUZDIDTESA-N 430.548 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(OCc2ccccc2Br)c1 1556399381 LKXCEZYMJWYULD-UWJYYQICSA-N 430.342 4.739 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(CCC)ccc1Cl)c1ccc(Br)cc1 1561601676 UPFCHJDNWCKVJR-KRWDZBQOSA-N 426.763 4.708 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 1562760014 CLXPBNLPIXMHMG-UHFFFAOYSA-N 433.961 4.505 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1COc2cccc(Br)c2C1 1565259450 ZHAZDDBJBOUTDL-LBPRGKRZSA-N 441.778 4.865 30 10 IJEE C=CC1(CC(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)CN(C(=O)OC(C)(C)C)C1 1567696927 PMULEKROEFJITO-HNNXBMFYSA-N 438.952 4.505 30 10 IJEE C#C[C@H](CC)NC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1568624962 WMAHSWCLZPPFLR-VQTJNVASSA-N 430.548 4.566 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cn(C(C)(C)C)nc2Br)C(F)(F)F)cc1 1587315314 KKJOTEVNYROHHQ-CQSZACIVSA-N 429.236 4.842 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](CCC)OC 1587585609 CMKWWLLMBKQROW-DZGCQCFKSA-N 439.785 4.634 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1587837967 LNJSEXCYACSPKS-OAHLLOKOSA-N 444.992 4.845 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1587847845 UOGSRVZMLSDMSF-UHFFFAOYSA-N 447.558 4.752 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1587872891 YUOXIHBSHFRNBB-NRFANRHFSA-N 430.955 4.795 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC2(CCC2)C[C@H]1CC 1589116050 CBTNUORNHXELHH-OAQYLSRUSA-N 438.641 4.945 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(C)C 1589304464 HBEZWFDLUKBPNO-UHFFFAOYSA-N 428.172 4.708 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N(CC)CC1CC1 1589358366 UCXLMMFDMVZBLL-UHFFFAOYSA-N 440.183 4.853 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccccc1F 1589530649 XQZUMKPMCNGSFH-REWPJTCUSA-N 435.547 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H]1OC 1589626000 QPPDENRHPPYMBC-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C)C2(CCC2)C1 1593770099 VZSMFVBAKDXPAE-IBGZPJMESA-N 428.552 4.605 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCSC(CC)(CC)C1 1593923237 HCDJMIXQEFSMMC-UHFFFAOYSA-N 437.009 4.730 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(CCC(C)C)CC2)CC1 1594064637 RHIOPFJWQJYKKB-UHFFFAOYSA-N 443.039 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1594520924 GNPXWOXMMVOFOF-QFIPXVFZSA-N 432.616 4.913 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)CCO[C@H]1C1CC1 1595191744 WRGVTGSTVLLIDB-URXFXBBRSA-N 442.991 4.991 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1 1595964168 CVONFWTXLXENPC-OAQYLSRUSA-N 437.341 4.843 30 10 IJEE C=CCOc1ccc(CC(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1 1596151690 ZIVDTVMROGNWLZ-UHFFFAOYSA-N 436.552 4.798 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)cc1 1597600830 FBARCRANXKQAGC-UHFFFAOYSA-N 449.551 4.881 30 10 IJEE Cc1ccc([C@@H](NC(=O)COc2cc(Br)ccc2C#N)c2cccs2)cc1 1613844795 GDIYSVGCWBGAQL-OAQYLSRUSA-N 441.350 4.975 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc(Br)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1617356315 AEEGBHQUUKZWHC-HXUWFJFHSA-N 440.334 4.709 30 10 IJEE Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 1617824890 HSKWNSWULOOPIO-UHFFFAOYSA-N 446.454 4.990 30 10 IJEE C#C[C@H](NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1 1625105198 QPQLKFQMJHZKCP-KRWDZBQOSA-N 429.705 4.784 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)OC)c(F)c1 1627742502 FVYVUOFPVRMUDS-UHFFFAOYSA-N 439.256 4.734 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1628738630 CHAJBDGUCCQYRO-GFCCVEGCSA-N 426.344 4.630 30 10 IJEE C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1628851357 CPNWXXVXQVTKDC-LDQXTDLNSA-N 427.342 4.510 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 1632377891 ARQKNFHMXNKKCM-UHFFFAOYSA-N 439.140 4.590 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1643543227 LJTGODKFMTVJTM-KRWDZBQOSA-N 425.326 4.721 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C#N)cc1C(F)(F)F 1643573311 KWOOVBOGPWVYOA-UHFFFAOYSA-N 435.519 4.675 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(F)cc(I)c1N)c1ccccc1 1644570973 FEJKZDOQKYYGAT-QGZVFWFLSA-N 438.284 4.840 30 10 IJEE C=CCSc1ccccc1C(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 1648830970 PPVUBOBUORYAHT-MRXNPFEDSA-N 426.365 4.783 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(C3CCCCC3)C2)cc1OCC 1651345977 PMBKQZZHVCTZIQ-GOSISDBHSA-N 437.422 4.909 30 10 IJEE C=CCn1c(SCc2ncc(Br)cc2F)nc2cc(Cl)ccc2c1=O 1652365726 IQNBVSQJAAUOQR-UHFFFAOYSA-N 440.725 4.825 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(Cc2cccc(F)c2F)CC1 1653869083 HOQPRSCXGWKAMT-SFHVURJKSA-N 441.522 4.563 30 10 IJEE CCOC(=O)c1cccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)c1 1656514946 BYMUUXZJJAUFQX-UHFFFAOYSA-N 433.533 4.873 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1 1663486573 CLCUBEOHSCMVIM-UHFFFAOYSA-N 428.554 4.904 30 10 IJEE O=S(=O)(NCc1ccc(F)cc1C(F)(F)F)c1ccc(SC(F)(F)F)cc1 1666423088 HXOSNTNWACZFRI-UHFFFAOYSA-N 433.370 4.935 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1)c1ccc(Cl)cc1 1666534125 FSAAMOGQPPSJQZ-IBGZPJMESA-N 431.367 4.631 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1 1668746578 AEKNUFQVCIMDMP-OAQYLSRUSA-N 448.567 4.591 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 1668902118 BQJNKWXWWNASKN-UHFFFAOYSA-N 429.756 4.919 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 1669089487 XMKNFNHBJHAODC-UHFFFAOYSA-N 447.289 4.763 30 10 IJEE C[C@@H](CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1c(Cl)cccc1Cl 1676569851 GAVISXCXYOGPHE-AWEZNQCLSA-N 435.330 4.639 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1)[C@@H]1CCCc2ccccc21 1678719026 WZMCVVMIHMIDQI-SQJMNOBHSA-N 432.564 4.633 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cc(C(=O)OC)c(C)n1C)c1ccc(C(F)(F)F)cc1 1680633542 OXFMIQJLYPCVKE-IBGZPJMESA-N 437.462 4.646 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cc(C(F)(F)F)ccc1Br 1684067838 HTFBPTWPHINCGS-UHFFFAOYSA-N 443.238 4.952 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1689935886 WWMYYIZIECJEOQ-SANMLTNESA-N 447.671 4.815 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1Cc1nc(C(C)C)cs1 1690086167 UDEZZYSAMXVITA-UHFFFAOYSA-N 441.626 4.667 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CC 1690096257 QHYRFRYFPHQURG-UHFFFAOYSA-N 433.394 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@](C)(O)C(C)C 1690271543 TYUUFOBXKLRKRQ-NRFANRHFSA-N 441.403 4.973 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1 1690277315 NUVNIVWZSKACAO-ZIAGYGMSSA-N 437.407 4.623 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H]1CC=CCC1 1690309811 LBUGSIMCXCDOKD-HXUWFJFHSA-N 433.556 4.985 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1690430886 VZUHOUACEHFPDH-VQTJNVASSA-N 441.595 4.629 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1690464677 IIKDSWHRBRDRCL-UHFFFAOYSA-N 441.620 4.832 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2ccc(OC)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1690495863 HJLZBSRAGLTDIU-WIOPSUGQSA-N 440.588 4.635 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1690742542 UITCTWCKFVFIHP-PXNSSMCTSA-N 441.626 4.596 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@](C)(O)CCC(C)C)cc1 1693162146 HLUZCWLVBFRKPZ-PKTZIBPZSA-N 445.608 4.508 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1694844648 DEPAHGJFCCGHMK-VURPSTOHSA-N 439.629 4.885 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1705511238 MRVDSUPFIAJVDA-HOTGVXAUSA-N 433.419 4.841 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC1CCN(CCC)CC1 1705669496 OAKVALVOLFBIFQ-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(CCCCC)C(C)C 1705689451 MXAHUOUKRYYHAM-UHFFFAOYSA-N 426.428 4.947 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1 1705750707 MCGSCBRGQXKSMT-STQMWFEESA-N 427.799 4.790 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCOC2(CCCCCC2)C1 1705758870 DIBZJFIZMGVWSE-UHFFFAOYSA-N 446.979 4.548 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1705771683 BJUABXAASAYIRJ-RBUKOAKNSA-N 428.602 4.551 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705809361 PEZOVTFMKQYHCT-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(CCC)C(=O)C1 1705814482 QKPYWWHPVZQOCD-UHFFFAOYSA-N 441.645 4.690 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1CC1CCCC1 1705861161 VYEGEMMDXALJNG-UHFFFAOYSA-N 432.597 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1(CC)CCOCC1 1705866702 XFUCPNWJBFRVQP-LJQANCHMSA-N 430.618 4.633 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCO[C@H]2C(C)C)C1 1705915730 LMYFSNRBRXPDEW-YCAMKHIRSA-N 438.616 4.662 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2sccc2C)C1 1705917621 WVFIIEMKUUPWLB-GOSISDBHSA-N 446.523 4.746 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(CC=C)C1CC1 1705941763 VQNCSRXFQFXRQY-UHFFFAOYSA-N 437.382 4.921 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[C@H](C)N2CCCCC2)c2ccccc2n1 1707251166 DEVRCBULBIUNAD-SFTDATJTSA-N 445.615 4.805 30 10 IJEE C[C@H]1C[C@H](C)CN(C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1707959019 DOPWRARLJOKLBN-PMACEKPBSA-N 445.615 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(Cl)c1 1722282778 RNQAZKGTADXLLU-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H](OCC)C(C)C 1722284154 ZBKPUYGYBYNREU-LSDHHAIUSA-N 439.423 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CCc1ccc(Br)s1 1722287935 TYIKRJZQAWIYMV-OAHLLOKOSA-N 429.387 4.778 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCSC1(C)C 1722287961 ULPKVGNTTSCLEC-HUUCEWRRSA-N 433.419 4.697 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CC[C@@H](F)C1 1722401235 PZLFAIAQCIWFMQ-FGZHOGPDSA-N 436.575 4.890 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(CC(C)C)CC1 1722422259 PXCZYLQOSZSQDN-UHFFFAOYSA-N 445.405 4.620 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)CCC 1722496232 WHAMXULBDLAMDR-CRAIPNDOSA-N 436.398 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@](C)(O)C1CCCCC1 1722511961 RXYVZTKCAMJOKL-VWLOTQADSA-N 442.604 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCC[C@@H]1C 1722517005 JOVCNPZPBJKLCE-MBSDFSHPSA-N 430.618 4.533 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1722575635 QAARCVMXUZXIQD-HXUWFJFHSA-N 429.012 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1722584934 LDDQEIWLHLHEQZ-HXUWFJFHSA-N 439.560 4.709 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)C2CC2)CC1)c1ccccc1 1722595488 WRWZZABOVRLVQU-SIKLNZKXSA-N 435.616 4.647 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(F)cc1F 1722662278 HYZLGJFTVUMWIB-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1 1722676890 NRQYWSHQIUWJKA-UHFFFAOYSA-N 439.579 4.948 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccsc1)N(C)C 1727113841 DIDFOVUXLKQVKC-DHIUTWEWSA-N 448.640 4.924 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1728909449 GWJZBGUFLCZKME-AWEZNQCLSA-N 445.354 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C)s1 1740536395 GDFWYIHUPJWKNB-LBPRGKRZSA-N 433.350 4.723 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cnn(C)c1C 1740565497 BDRTYUBCFQLXBP-KRWDZBQOSA-N 436.629 4.613 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740567900 XGORLZXEWXDHLK-ZDXQCDESSA-N 436.600 4.986 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(CC)s1 1740632960 YXMVMKKZJNOWHS-QGZVFWFLSA-N 438.984 4.817 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1nccs1 1740633400 GUWFBDHFXBWTIQ-KRWDZBQOSA-N 435.622 4.609 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1740738467 IBAHFKWXFGKPIY-RDJZCZTQSA-N 432.366 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)CC(C)C 1740766903 LLLJZZMAQPEODL-PGRDOPGGSA-N 430.618 4.652 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)C(C)C)CC1 1740827911 OOKRFKWWLLXFIA-RUZDIDTESA-N 426.605 4.718 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1740856760 WQVRWUYNFKMNSW-NRFANRHFSA-N 449.565 4.911 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740860838 RTKDFEGNGHNADV-HXUWFJFHSA-N 440.588 4.857 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1csc(CC)n1 1740924442 RMLLUNPBICQJIR-UHFFFAOYSA-N 436.610 4.585 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)N1CCC[C@@H](C)C1 1743915403 DNVHMMXRLHTSMV-MQSCRBSSSA-N 436.648 4.926 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(C)c1 1748833499 SWFZONNUUKZWQC-UHFFFAOYSA-N 428.605 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1749136962 VHLPDJTVZVKQOJ-YDHSSHFGSA-N 442.579 4.850 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1749312381 KCLGQJANTYRVNC-HXUWFJFHSA-N 444.023 4.789 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1749324664 YJPJKJWSIDMTGP-MXVIHJGJSA-N 425.552 4.688 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1749459526 MDUFIGFXJMMGBS-FQEVSTJZSA-N 426.561 4.656 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCSCC(F)(F)F)C1 1749704032 UOOFEHDGIZULCR-CQSZACIVSA-N 446.926 4.675 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760225315 MZVISGXJRZPVLH-LSWJPFSZSA-N 437.632 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](CC(C)C)N(C)C 1760290003 UPNVTCKCTBRHOH-UMEGOILYSA-N 441.595 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCC1(F)F 1760329651 HCAGSGBAAADCEI-GHTZIAJQSA-N 426.552 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CSCCS1 1760331302 HJCSWSDIUWHGSP-SFHVURJKSA-N 425.627 4.744 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(F)(F)F)CC1 1760335629 PBUHWRFPELJMPX-OTWHNJEPSA-N 442.526 4.670 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1760378165 AQOLMFMSMLQVHL-LEWJYISDSA-N 445.007 4.869 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCSC1 1760419014 FFYOXNBBFWHJQN-HNNXBMFYSA-N 438.439 4.971 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@@H]1C 1760485582 JJLXNLMTOAQVCI-GHTZIAJQSA-N 433.581 4.743 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1ccc(NC(N)=O)cc1 1760486263 IOLRGZSXRICOFT-UHFFFAOYSA-N 436.585 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[C@@H]2CC)C1 1760536200 FELDQQWADULXJI-LZLYRXPVSA-N 448.409 4.643 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1OCC 1861353481 NENDIXNQHQHYNW-HSZRJFAPSA-N 440.584 4.609 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862413213 XWJASEWQQGDBAL-HXUWFJFHSA-N 425.456 4.847 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OCC)cc1 1862435666 BKDHBOVOOGZQAD-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862470827 WWVFCUNZCAUFKR-LJQANCHMSA-N 439.309 4.917 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(Cl)c1 1862527362 VZFXEPZRVINHNM-KRWDZBQOSA-N 432.701 4.867 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862536136 RQUMFTCYLPYFJQ-JOCHJYFZSA-N 449.528 4.543 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(F)c1 1862626873 HMTAWMCKWUVPCC-WNSKOXEYSA-N 445.446 4.894 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2F)C1=O 1862942989 GTJDHGKQOPGUBL-UHFFFAOYSA-N 445.425 4.550 30 10 IJEE Cc1cc(C)cc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)c1 1862954026 XVOSYONUXIGLFF-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2cc(C)ccc2C)C1=O 1863403361 HWVDUZSCMXFKPA-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)C(C)(C)NC(=O)c2cccc(Oc3ccccc3)c2)cc1 1867695077 FKTILQCLHGGKQU-QHCPKHFHSA-N 427.504 4.677 30 10 IJEE CC(C)COc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)cc1 1870111981 KNBQKAJQVLYXQI-UHFFFAOYSA-N 444.322 4.792 30 10 IJEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c1 1870145574 GWLLREXWVWJXMC-UHFFFAOYSA-N 431.540 4.851 30 10 IJEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CSc2ccccc2)cc1=O 1870300689 PWXMKUIQYWTOBD-JOCHJYFZSA-N 425.937 4.540 30 10 IJEE CCCCCCCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN(C)C)cc1=O 1870409452 STKWCDXDCMKNEI-UHFFFAOYSA-N 430.589 4.519 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN(CCCC)CCCCCC 1870444471 AXUPZJOFGMTRMA-UHFFFAOYSA-N 434.621 4.937 30 10 IJEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN(C)CCO 1870471208 WELLCVDZQCRQIT-UHFFFAOYSA-N 428.617 4.992 30 10 IJEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(Cl)cc2C)cc1=O 1870812430 UGJGKQDDPLXGOV-UHFFFAOYSA-N 429.992 4.863 30 10 IJEE Cc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccncc1 1871250741 UMDMKTCVIFCGMZ-UHFFFAOYSA-N 436.515 4.663 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)cc1)O3)CN(CCCn1ccnc1)CO2 1871349880 ZMPMCACDRHETLW-MTJSOVHGSA-N 435.911 4.703 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871415980 FHFZQIQDGNFKFM-OYKKKHCWSA-N 429.472 4.734 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1871754158 PJHHBHQQUNYDBH-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(Br)c1)S(=O)(=O)CCCC 1872002150 ALGUVORODQDFDI-GOSISDBHSA-N 445.423 4.564 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 1872365886 CSNBTEZISOGUQI-NRFANRHFSA-N 436.524 4.585 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872461757 ZVYHOJUDNBDZQI-HXUWFJFHSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872528245 STQYOHRNHPEEPZ-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE Cc1ccsc1/C=N/n1c(COc2ccc(Cl)cc2Cl)nnc1SCCO 1874205736 QIMBOLCFIZOMAN-AWQFTUOYSA-N 443.381 4.500 30 10 IJEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874205841 WHTUIZUQFMAMEQ-SSDVNMTOSA-N 436.368 4.834 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1c(Cl)cccc1Cl 1874274359 QZAHAULFFAGLAM-OWGFIJSYSA-N 440.400 4.694 30 10 IJEE Cn1cccc1/C=N/n1c(SCc2c(Cl)cccc2Cl)nnc1[C@H]1CCCO1 1874449000 PZJHJCOCAYFWPO-ZTBJCTOSSA-N 436.368 4.949 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2Cl)o1 1874481567 CFRZNXFVDHAZLU-SSDVNMTOSA-N 432.933 4.783 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(C)C)cc(OC)c1OC 1874512778 PNKFCSVHIZUGNJ-ZMOGYAJESA-N 440.569 4.910 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C(C)C)c1 1874514107 HTNNZRTYGGEKSH-BUVRLJJBSA-N 443.617 4.614 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1cc(C)ccc1C 1874521673 FTSKAPAGVYGUOZ-MFKUBSTISA-N 449.580 4.635 30 10 IJEE COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1OCC(=O)OCC(C)C 1874576019 SVLTXSXMEGHAON-ZHACJKMWSA-N 447.325 4.932 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)Nc1nccs1 1874592437 ZBTZIKATIKVAER-SOFGYWHQSA-N 428.897 4.719 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C#N)cc1 1891057787 RHFDNQXPEIMDAU-PMACEKPBSA-N 448.375 4.897 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C#N)cc1 1892130657 CLDGAYIUYIZYRI-XZOQPEGZSA-N 435.593 4.888 30 10 IJEE N#Cc1cccc(N2CCN(C(=O)Cc3cc(Cl)ccc3Oc3ccccc3)CC2)c1 1892326203 VOBQDIXCZRUHCM-UHFFFAOYSA-N 431.923 4.895 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCCC2 2017318628 RHXNTDAGLZUBJH-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1c(Cl)cccc1Cl)c1cccs1 2033813181 JWJRQEQLBVLRHE-CYBMUJFWSA-N 438.317 4.689 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)cc1 2057571217 CQRIFOYPGVATFY-IMWIBFENSA-N 443.544 4.728 30 10 IJEE CCc1ccc([C@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)cc1 2079035438 DRPKGWVIKHVAKF-YODDIOPGSA-N 425.314 4.802 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(O)c1 2079854097 FIHUYKDQHLWBKT-AWEZNQCLSA-N 448.239 4.576 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2116828379 IQOMQHWHPYZFNE-FUHWJXTLSA-N 427.358 4.854 30 10 IJEE C[C@@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 2174811032 SWMAWQRETTUIFM-ZIAGYGMSSA-N 440.357 4.980 30 10 IJEE CN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)c1cc(Br)c(C#N)cc1F 2174817225 MBZXNJKMTPTRFP-UHFFFAOYSA-N 435.297 4.838 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1(C)C 2181106622 YFHCGKBTWIAYJQ-CQSZACIVSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(C#N)cc2Br)CCCCC1 2181133299 QTJRTANYQMFQSW-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE CC1(C)CN(Cc2ccccc2)[C@@H](CNc2cc(Br)c(C#N)cc2F)CO1 2194647947 FVFOESLNQGLZKG-KRWDZBQOSA-N 432.337 4.551 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1cc(Br)ccc1C#N)C1CCCC1 2204170636 XNMUNHZJHVMQKD-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE C=C([C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229117740 CVRQGKATRKLDPM-ROUUACIJSA-N 441.486 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1cc(Br)c(C#N)cc1F 2234599259 NTLDLXDWEMSKJU-LBPRGKRZSA-N 448.283 4.907 30 10 IJEE C#C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919852 ZFFPNDZCCKDNHY-FTJBHMTQSA-N 444.575 4.810 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](N)C#Cc1cccc(Br)c1 2278791236 QXTCQONVJZYCTM-IAGOWNOFSA-N 441.435 4.553 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](N)(C#Cc2cccc(Br)c2)CC12CCCC2 2296232494 ODLTYOXRBPMJGA-OAQYLSRUSA-N 433.390 4.842 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2296266921 NFSKRWSEWUORJE-AQNXPRMDSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCCN1C(=O)OC(C)(C)C 2296290235 AEWMPBMOFQGVMS-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE C=CCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 2297349283 UHUGLHBIZHIGTE-UHFFFAOYSA-N 443.908 4.833 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 2314477254 DHKVEWXYAFOJNJ-XMMPIXPASA-N 440.455 4.773 30 10 IJEE COc1cc(C=NN=C2SC(=Cc3ccccc3C)C(=O)N2Cc2ccco2)ccc1O 2314818123 AESUKNNXBZTMBM-UHFFFAOYSA-N 447.516 4.809 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2317312943 OZLMTJJWWUZKLM-SDNWHVSQSA-N 429.370 4.538 30 10 IJEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C[C@H]2CCCO2)C4)c2ccccc21 2321961713 JNTGTLNXPCSUES-LJQANCHMSA-N 444.531 4.917 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)CN(CCCO)CO2 2322071209 IXUUFSUKNTWGCO-UHFFFAOYSA-N 427.500 4.813 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(CCCCN1CCCC1)CO2 2322379286 IIASZFORHXXXQB-UHFFFAOYSA-N 436.527 4.778 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)Nc1nccs1 2324260500 MVBNTMJYUWFZOZ-UHFFFAOYSA-N 444.459 4.734 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC(=O)OCCC 2324261167 NVXNJABPHTUVHW-UHFFFAOYSA-N 430.447 4.930 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325336879 GGTMETFXHFFFFH-QGZVFWFLSA-N 438.520 4.866 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Br)ccc1O 2325586874 AXVWECRGUNHHBZ-UHFFFAOYSA-N 435.322 4.622 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)OC)cc1 2328075318 VLLCCPNFCNNOEI-UHFFFAOYSA-N 440.956 4.664 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c(OC)c1 2328944871 NJNWPCXWEVWXCW-UHFFFAOYSA-N 436.581 4.945 30 10 IJEE Oc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 2329341329 IWGPFUOSWNFDSW-UHFFFAOYSA-N 430.533 4.875 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCO)nnc2[C@H](C)c2ccccc2)cc1 2330146518 RAKUXLXIFHDUCT-LJQANCHMSA-N 438.597 4.966 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)cc1 2330855590 GKAACCWVMCMTMV-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)COc2ccccc2)c(OC)c1 2331054900 QYBABEXGDOTJMH-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339584966 ISOUOLNGORXCND-RBUKOAKNSA-N 444.381 4.798 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339586440 FZSFHJJACQPINF-NZQKXSOJSA-N 433.405 4.906 30 10 IJEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339588515 JQMKDKHMNLMBMV-MJGOQNOKSA-N 443.397 4.784 30 10 IJEE Cc1cc(CN(Cc2ccccc2)CC2CCOCC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343697307 TULALTYVQLAXRD-UHFFFAOYSA-N 435.417 4.723 30 10 IJEE CC1(C)CCCN(Cc2ccc(I)c(Br)c2)[C@@H]1C#N 2349845459 PEJISFNTPGHSEP-CQSZACIVSA-N 433.131 4.568 30 10 IJEE Cc1ccnc(N(C)[C@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2357063507 LHPHSIRTOFFZBT-BJESRGMDSA-N 448.416 4.509 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(c3ccc(C#N)cc3Br)C1)C2 2358645704 GZAJQASMQNRHKT-KKSFZXQISA-N 434.378 4.937 30 10 IJEE C=CCC[C@@H](C)N(C)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2374483465 UQSDXLDQEZBKPE-YMTOWFKASA-N 425.186 4.859 30 10 IJEE Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 2501853 WACVFNOZAPGSHU-LJQANCHMSA-N 433.533 4.927 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 9697038 KJGWUMAIDAWPEC-UHFFFAOYSA-N 448.544 4.836 30 10 IJEE C=CCN1C(=O)[C@@H](C)Oc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081429 RKBMSQIENGCJHY-CHWSQXEVSA-N 435.307 4.699 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccncc2)c1 33382628 TYMNRDJWINDLOK-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C2=C1CN(Cc1ccco1)C2=O 34696036 PPHMOPALSPCAME-XMMPIXPASA-N 441.487 4.621 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C/c2cccc(C)c2O)C1=O 36301352 LZXRUIDZWXFLHX-QGOAFFKASA-N 425.506 4.643 30 10 IJEE CC(=O)/C(=N/Nc1ccc(Br)cc1)NCCOc1cc(C)ccc1C(C)C 59502462 NIHAJVDGJHWDAS-UHFFFAOYSA-N 432.362 4.864 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)c2ccccc21 102729680 CITIMMHFIWYFGL-FMCGGJTJSA-N 449.459 4.701 30 10 IJEE CCCCCCCN1C(=S)N(Cc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 104717935 BHBTXLBHKLENOW-JOCHJYFZSA-N 437.609 4.984 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169963573 HKRMPUTZFSVACO-JOCHJYFZSA-N 446.409 4.935 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@H]3c3ccncc3)nc2c1 170027169 MSCARMGLEJIYLD-JOCHJYFZSA-N 438.487 4.666 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc3ccccc23)cc1 170046069 JBJAXPTUXUGSDR-XMMPIXPASA-N 445.515 4.853 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC)c1 170112211 NZKFSGBPJJQFPI-HSZRJFAPSA-N 449.503 4.836 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1 170130219 MPBZEMJIHWYKDL-OAQYLSRUSA-N 449.528 4.858 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2)ccc1Cl 170222299 MLMMMALENGVWDV-NRFANRHFSA-N 443.927 4.742 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccccc1 170232500 VTNTUCVXAOGAHP-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(O)c2)c1 170258747 GPFSRSYXLBCZGF-QHCPKHFHSA-N 445.471 4.670 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)cc1C 170259959 IQPHBWAVRNGXFC-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(C)o1 170306224 RGZHEXPNJXRHPR-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE COC(=O)c1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1Br 469765450 SOFZBBCBZYYELU-UHFFFAOYSA-N 440.297 4.746 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508466200 SVUROCBTZLXGFV-GOSISDBHSA-N 447.514 4.663 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(OCC(C)C)CC1 508802921 UESCLORGEQTADK-UHFFFAOYSA-N 436.556 4.945 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 510662991 JARDMEHSBJOLNC-KRWDZBQOSA-N 436.491 4.715 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 555254019 ZNBLIJIZKRTDRC-SFHVURJKSA-N 439.585 4.591 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 567126814 WZAFUCWPJWGPCH-MRXNPFEDSA-N 444.967 4.928 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OCc2ccccc2)CC1 569627677 PKHDFBLQBIMYGU-UHFFFAOYSA-N 448.567 4.724 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccccc2)CC1 583250888 NPVFGQDZYHZMIU-UHFFFAOYSA-N 437.494 4.919 30 10 IJEE N#Cc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c(F)c1 585746704 SURBISSVKPCITE-HXUWFJFHSA-N 435.421 4.683 30 10 IJEE C=CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586136123 MAFHBKTXUXRGSP-UHFFFAOYSA-N 439.408 4.835 30 10 IJEE COc1ccc(CN(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)cc1 586169072 MLTCPGBRBQOWDP-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 711087336 MJLWJFQPVVTFGY-IIBYNOLFSA-N 436.557 4.853 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 727308908 CAYPDMHHOZUXSA-UHFFFAOYSA-N 441.560 4.648 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1cncc(F)c1)c1ccc2c(c1)OCO2 731961247 MWDQWDLQWLQGDF-JXMROGBWSA-N 432.451 4.761 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 733197726 RIINJEYLHBVLFX-GOSISDBHSA-N 445.466 4.689 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 735233400 VAECCCNSTQOKSF-QHCPKHFHSA-N 445.906 4.948 30 10 IJEE N#CCc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)c1 771668874 RXZCJLOJTZXHBR-HSZRJFAPSA-N 436.458 4.730 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N(C)C(=O)OCC)cc2)CCCN1C(=O)OC(C)(C)C 790489732 VLYBWCDGQPFIPV-HSZRJFAPSA-N 431.533 4.564 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 806331601 ODKFLWBSQFFVQG-LJAQVGFWSA-N 428.480 4.702 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1)c1ccc(C)cc1 1084266736 NYLGXTCRKODCPA-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)c2cccs2)n1 1084634648 SQZXIZWGMAZYCY-UHFFFAOYSA-N 432.600 4.545 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 1125240150 HIJANWAQIFFLNS-UHFFFAOYSA-N 434.467 4.581 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 1125486233 DGWUCXYAKOPKPF-QFIPXVFZSA-N 425.573 4.937 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3sc(N(CC)CC)nc3s2)cc(OC)c1OC 1125544054 AKDBIYSUQZSJBF-UHFFFAOYSA-N 445.610 4.880 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)CCCN2CCN(c3ccccc3)CC2)c1 1125713407 LWVWAQYHZZQEBS-UHFFFAOYSA-N 443.616 4.865 30 10 IJEE C#C[C@@H](NC(=O)c1cc(I)cc(C)c1C)c1ccc(Cl)cc1F 1129615558 BJYZEZWTAQKUKG-QGZVFWFLSA-N 441.671 4.805 30 10 IJEE C#C[C@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccc(Br)cc1 1129731058 PXELMUAQFGVXMF-SFHVURJKSA-N 431.305 4.677 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[C@@H](OC)C1 1138248295 AZHANVDVDCDHHP-CEYNDMKZSA-N 448.563 4.544 30 10 IJEE C=CCONC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1158208778 SAFYTHGVJTVYAV-LJQANCHMSA-N 434.536 4.662 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)n1ccc2ccccc2c1=O 1162667639 GGYWKPVUSASJNN-HOTGVXAUSA-N 427.426 4.522 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 1197283354 ARWJRXINOMVPJR-QAPCUYQASA-N 427.998 4.627 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 1209790172 DZQYSPJUGMTUMP-UHFFFAOYSA-N 439.899 4.926 30 10 IJEE N#Cc1ccc(NC(=O)NCCc2cnc(SC3CCCC3)nc2)cc1C(F)(F)F 1215474711 DIKGEVRMBCQSRR-UHFFFAOYSA-N 435.475 4.766 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)Cc1cc(F)cc(OC)c1 1219086690 KOQCJRUQCMYKCV-CYBMUJFWSA-N 437.309 4.914 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)[C@H]1CCCc2ccccc21 1221213433 TXITWHHSNHZDKH-IZZNHLLZSA-N 445.607 4.945 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1ccc(Cl)cc1F 1223444733 PZVIQIYMEULTHX-PMACEKPBSA-N 433.980 4.987 30 10 IJEE C=CCN(C(=O)c1coc(-c2ccnc(C)c2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1264216698 OYUDQBJGQNIBMG-UHFFFAOYSA-N 447.476 4.910 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C1(c2ccc(I)cc2)CC1 1264764526 JUCIQDDTTFCWCX-UHFFFAOYSA-N 435.280 4.677 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1275698948 LTZQBRFMYFBPBP-UPVQGACJSA-N 447.579 4.907 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCC1(F)F 1286400248 ABOSDNPCFJXSFG-LJQANCHMSA-N 433.506 4.700 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)[C@H](C)CC 1286402419 ZJRNIXPKGXKBJF-NQIIRXRSSA-N 447.608 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cc(C(C)(C)C)no1 1286404676 VUUIIVJDPONZCO-UHFFFAOYSA-N 442.350 4.659 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286632760 DZVNISKORTUYEC-JXFKEZNVSA-N 432.996 4.768 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCOC2(CCCCCC2)C1 1286667411 JTRMUPXOUFJXQX-FQEVSTJZSA-N 434.625 4.534 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCCOC)C1 1286668286 QUVMMZIFAINIDE-FQEVSTJZSA-N 432.996 4.833 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H]1CC 1286687009 LDVVAAISPVSWEK-MOPGFXCFSA-N 434.588 4.656 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C)CCCC1)C1CC1 1286738754 CAIJLQCEWMHZDG-HDICACEKSA-N 429.609 4.784 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCO[C@H](C)C1 1286747298 HZHRENXQAJVZEP-QUCCMNQESA-N 433.581 4.886 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCN1CCOC(C)(C)C1 1286770056 OOZPMYXTPAFPCY-UHFFFAOYSA-N 446.020 4.546 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1Cc2ccc(Br)cc2C1 1286832758 NYKHUBFLXJIXKW-SFHVURJKSA-N 449.418 4.722 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 1292642444 WRNYQQQPSNNTSJ-UHFFFAOYSA-N 442.672 4.560 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cc(Br)ccc2OC)n1 1298586317 UFJABDRMCCNRCE-INIZCTEOSA-N 449.370 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CC1(N2CCCC2)CCOCC1 1300901879 USZNUPATQYYYQF-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1301120482 SQSIQYJDHVLXGM-RZUBCFFCSA-N 429.653 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(C)C)C1 1301159968 JDNUIVQVUDCYJD-JOCHJYFZSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cn3ccccc3n2)n1CCC(C)(F)F 1301349049 JORUVZLYQHSKGX-UHFFFAOYSA-N 436.510 4.755 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1Cc2ccccc2C1)C(C)C 1301366800 IJSPIKVXEKTEDX-RPWUZVMVSA-N 435.616 4.739 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CCCCC3)C2)cc1 1301525441 ICKNXIFAYUEYBG-JOCHJYFZSA-N 437.632 4.544 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)SC)C1 1301541943 GXYSXYBOSYSGIU-FQEVSTJZSA-N 425.602 4.520 30 10 IJEE COc1ccc(CN(CCO)C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 1303032733 FEJAJCVNCLYOKI-UHFFFAOYSA-N 436.895 4.647 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)cc1 1310132691 VMRAEGIEVRERRQ-PKTZIBPZSA-N 441.597 4.602 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)CC1 1310854746 BBEZYGKPQWORMJ-SAZUREKKSA-N 435.753 4.661 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@H](CC)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1F 1312942037 JUFGFQGTQFRWHU-FGZHOGPDSA-N 431.914 4.771 30 10 IJEE CCOC(=O)c1sc(NC(=O)C2(Cc3ccccc3Br)CC2)c(C#N)c1C 1349989859 BDHSJANBWUZWNI-UHFFFAOYSA-N 447.354 4.829 30 10 IJEE CC(C)(C)c1ccc(Cn2nccc2NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1350826394 BEBGIWUHHVRNNG-FQEVSTJZSA-N 445.542 4.705 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c1 1356026579 OULAUMGTKKPCMD-UHFFFAOYSA-N 434.580 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@](C)(O)c1ccccc1 1358877346 CCGIJBIWAFJREX-DGUDUIIESA-N 448.636 4.887 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1358906764 RYFAOEIQYKJMHZ-IRXDYDNUSA-N 431.353 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCOC(C)C 1359066142 OVJLWCNQFJEPAR-RUZDIDTESA-N 432.572 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@H](c1ccco1)N(CC)CC 1359067779 ATYDTXMUNYJBPI-PXDATVDWSA-N 435.547 4.752 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C 1359089960 SDDVQEGOUGLDTQ-IRLDBZIGSA-N 439.604 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCOCC1 1359108388 LXPTXHHKDRZAKQ-UHFFFAOYSA-N 447.004 4.757 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCn2cc(C)cn2)CC1 1359169116 UVWFJTYVURSMFT-UHFFFAOYSA-N 428.993 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C 1359183531 NJZXGMRFSVQXNV-UHFFFAOYSA-N 432.012 4.946 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)=C(C)C1)c1ccccc1 1359195683 QCEPMIRWGRKUJH-HJOGWXRNSA-N 436.600 4.909 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC1COC(C)(C)OC1 1359209149 CBLJUPIWACICHB-UHFFFAOYSA-N 435.572 4.603 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359217845 OVUDIAOTKNYVIZ-NRFANRHFSA-N 439.604 4.589 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCC1(F)F 1359271861 FPFFOYRKFQSYRJ-YLJYHZDGSA-N 430.499 4.795 30 10 IJEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1359273681 JZNAHFWXPLDOSA-UHFFFAOYSA-N 427.474 4.704 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1435175927 OBCGZBZHRIVICS-KBXCAEBGSA-N 448.744 4.855 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1OC 1436548437 JJJHPFTYZYIGGS-POUQMFDLSA-N 434.536 4.668 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)n[nH]2)c1C 1448115852 FWWIJPYAZSMUTA-UHFFFAOYSA-N 438.491 4.992 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 1454272154 YQJKGWBXDYNSPN-LEWJYISDSA-N 443.588 4.578 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)cc1C#N 1458154167 GWFVRKPSUPVMRW-GFCCVEGCSA-N 448.292 4.846 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)C/C=C/c2ccc(Br)cc2)CC1 1459207971 FFMRHUBVVWZROQ-HNQUOIGGSA-N 440.341 4.625 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1c(-n2cccc2)sc2c1CCSC2)C(C)C 1464867616 CDCIIJAIDWXVCZ-LJQANCHMSA-N 429.655 4.757 30 10 IJEE C[C@@](O)(CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(F)c1 1466229291 DVSRRFFAIMITBT-NVXWUHKLSA-N 438.343 4.655 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccccc2Cl)CCOCC1)c1ccc(Cl)cc1F 1468610365 LFHYVGXTZYHRCM-FQEVSTJZSA-N 435.326 4.854 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C2CCC2)ccc1Cl 1469266660 OBLFGHUKMBFWDD-PZJWPPBQSA-N 444.984 4.640 30 10 IJEE C=CC1(CC(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)CN(C(=O)OC(C)(C)C)C1 1471281922 FHFBOUMLWCRZNC-UHFFFAOYSA-N 432.517 4.752 30 10 IJEE C[C@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 1473441370 CXNKWFPPESWJOY-NSHDSACASA-N 438.343 4.710 30 10 IJEE N#Cc1ccc(Br)c(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)c1 1473953626 BXSMJOFIQPHATD-HNNXBMFYSA-N 449.190 4.699 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n12)c1ccccc1 1476656228 BRWTURAONAUHGV-GOSISDBHSA-N 430.899 4.558 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1507747232 FYYOEFGTMYXXPZ-JKSUJKDBSA-N 433.419 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC1CC(F)(F)C1 1507806311 MPXRWURVJRLJAN-KNQAVFIVSA-N 446.542 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccoc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507919898 SLCYBOVUVRZSCN-KDURUIRLSA-N 443.592 4.881 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCN(CCC)CC1 1507975982 YYTHHQHEQOMWOA-UHFFFAOYSA-N 446.437 4.760 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(C)OCCc2sccc21 1507980411 IJLYNNFGGPYYKM-JOCHJYFZSA-N 428.989 4.694 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1nc(C)cs1 1507986610 QXIBPHPRGLUSMJ-WBVHZDCISA-N 446.621 4.541 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1CCCCS1 1507998527 CPEDHOHVAVNRAZ-OAQYLSRUSA-N 430.581 4.690 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)C)CC1 1508149486 AMLILFDNVIOTGN-UHFFFAOYSA-N 445.702 4.725 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCC2(C)C)c1 1510582841 HQKAWZIJUCCGRZ-DVECYGJZSA-N 425.552 4.742 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cc(Br)cs1 1512284546 GPPKQBDDDUUXGP-KGLIPLIRSA-N 442.386 4.924 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)/C=C/c2cccc(-c3ccc(Cl)cc3)c2)n1 1524968536 XIKBHYXBHFHDJM-KPKJPENVSA-N 433.939 4.525 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1525311475 BUZGQDVJZMPWNH-NHCUHLMSSA-N 440.609 4.572 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(F)(F)c2ccccc2Br)cc1 1528316646 PIUTVIQMNVPPHG-UHFFFAOYSA-N 449.295 4.994 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(F)c(COCCOC)c1 1528415347 AUWOOEQOWPGIOV-UHFFFAOYSA-N 438.293 4.568 30 10 IJEE C#CC[C@]1(C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1528968418 PRCXHUPDHUQTHL-LJFZDNNRSA-N 430.976 4.885 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1OC 1529299854 YMOOBEHFERFAAM-RMKNXTFCSA-N 441.890 4.949 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)C(C)(C)C)cc1 1529501538 VARQJJPXZLXLOS-JOCHJYFZSA-N 428.479 4.850 30 10 IJEE C=CC[C@@H](OC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 1530229001 ISBIKVJLEHLHGO-XMSQKQJNSA-N 447.318 4.621 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)cc1 1535020844 FBIDBSTVUYSBFM-UHFFFAOYSA-N 433.830 4.976 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CC=C(c2cccc(Br)c2)CC1 1536592341 XXCAOWRYFCUBHQ-UHFFFAOYSA-N 428.326 4.952 30 10 IJEE N#Cc1c(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)ncc2c1COCC2 1536735464 DVZCICRKWDDEDO-UHFFFAOYSA-N 427.432 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1CCCC[C@@H]1C 1539035098 MDKJWACAZYSALR-RTWAWAEBSA-N 425.646 4.601 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCC[C@H](C)C1 1539149579 YRHPVFIREWCWGX-VQTJNVASSA-N 444.023 4.653 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1CCCCC1 1539399466 MKXJADPFZKDTRA-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC(C)C)C(C)C 1539620876 NWICEWRLQRNYEW-FPOVZHCZSA-N 427.549 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1539659402 WDPMHRVFNJUIMW-UHFFFAOYSA-N 435.572 4.977 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1539734764 DUMLNALZLSZPML-UHFFFAOYSA-N 446.039 4.749 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1539742867 MQVBOCYWIONEPU-KRWDZBQOSA-N 447.505 4.808 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1539786834 BZFYMJDGPMCTAQ-HNNXBMFYSA-N 444.885 4.884 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 1539843907 GLTWQKQWNBSQJA-GOSISDBHSA-N 435.293 4.790 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1539952961 CDSOUZKUUVVNDG-UHFFFAOYSA-N 442.567 4.924 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 1540018770 WLJWWBLEWVTAQB-UHFFFAOYSA-N 428.554 4.706 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1CC(F)(F)C1 1540128667 OLMVMTIKZKYWGG-HXUWFJFHSA-N 427.499 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1CC(=O)Nc1c(C)cccc1C 1540147505 NAGIPIDGWDWZOW-UHFFFAOYSA-N 435.597 4.740 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccn(C)n1 1540155135 MFWJYQQPAUIZMT-GOSISDBHSA-N 440.979 4.649 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2CCc2nc(C(F)(F)F)cs2)C1 1541988963 CXNIGZZMRCIZLE-FQEVSTJZSA-N 446.502 4.793 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)OC 1545302422 CISDXOPQVLVSLW-RCZSKKKRSA-N 439.604 4.662 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 1556214602 UZMGVKQZXBMLFX-UHFFFAOYSA-N 440.503 4.965 30 10 IJEE C#C[C@@H](C)NC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 1556310488 ZARHBZJRXCUKDJ-MRXNPFEDSA-N 428.463 4.938 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1562083746 BZFDTMKGPAZLKO-NFBKMPQASA-N 441.597 4.764 30 10 IJEE C=CCNc1ncc(C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)s1 1565562194 LEOXZDYDRHQSSD-UHFFFAOYSA-N 429.549 4.583 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](c2ccc3c(c2)CCCC3)C(C)C)ccc1F 1586006974 AJSPGQBDLFVLRY-QHCPKHFHSA-N 445.556 4.723 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)C(F)(F)F)cc1 1587315720 VENYSJIAWDFHFQ-HXUWFJFHSA-N 432.373 4.945 30 10 IJEE C=CC1(CC(=O)N2CCC(Cc3ccccc3Cl)CC2)CN(C(=O)OC(C)(C)C)C1 1587471436 BNYBEGPQXRRAMQ-UHFFFAOYSA-N 432.992 4.934 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(OCC)c1 1587586780 SFNGZANPTGKPBU-CQSZACIVSA-N 445.386 4.674 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCc2cccc(Br)c2C1 1587770210 WHMLODPEVZFKNF-UHFFFAOYSA-N 429.406 4.995 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCC 1588020235 JOKPTQAVFRXQRR-LJQANCHMSA-N 432.037 4.558 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(C)C 1588604100 CDGFUMDLIDMSSI-UHFFFAOYSA-N 426.561 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)Cc1cccs1 1589224155 XJKNECFKPAJIPZ-KBMIEXCESA-N 434.609 4.810 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N(C)Cc1nc([C@H](C)OCC)no1)c1ccccc1 1593788880 DVJKCEFYEICSNU-SFHVURJKSA-N 436.560 4.766 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1594064493 OMDGTHMTXBOJHO-SJORKVTESA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1594236827 JPMJCYSIGIGDKA-IBGZPJMESA-N 436.478 4.869 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1594739441 VUYYSQLVJSXAQS-FQEVSTJZSA-N 444.023 4.620 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1594997192 ACYVNOZDKZHOCJ-NZQKXSOJSA-N 426.605 4.937 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCc1nnc(C)s1)C1CC1 1595037818 LDKUKLPMBJMETE-UHFFFAOYSA-N 444.992 4.555 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1CCN1CCC(C)CC1 1595076199 WTZPXWVNVVWJMQ-UHFFFAOYSA-N 437.632 4.869 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1cc(C(C)(C)C)no1 1595161476 BEUKFJWYDSTYRX-UHFFFAOYSA-N 448.596 4.852 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccccc2)C1 1595688670 MERPZMWQBZWPLS-INIZCTEOSA-N 445.386 4.599 30 10 IJEE C#C[C@@H](NC(=O)/C=C/c1ccc(OCC=C)c(OC)c1)c1ccc(Br)cc1 1596986042 YUKCSAZVFYGZKS-HBAHQKBISA-N 426.310 4.526 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3O)[C@H](C)c3ccccc3)cc2C1=O 1597567227 HMZLEHBWJLYPJP-GOSISDBHSA-N 440.499 4.578 30 10 IJEE Cc1cc(C(F)F)n2ncc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)c2n1 1598303312 CAAFIXVVBFMOQS-GFCCVEGCSA-N 437.372 4.549 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)CCn1nc(-c2ccc(Cl)cc2)n(CCCC)c1=S 1603640436 XXHWNAGKWKLXBV-LJQANCHMSA-N 431.005 4.939 30 10 IJEE CN(CCc1ccc(C#N)cc1)Cc1cccc(Br)c1OC[C@H]1CCCO1 1617259030 GZJMJCRQVDXLIB-HXUWFJFHSA-N 429.358 4.553 30 10 IJEE C=C[C@H](OC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1)c1ccccc1 1617550540 WPDAHVSTCCVFQK-KRWDZBQOSA-N 428.872 4.810 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 1623990748 ZLSMRCNGWDIHGQ-IBGZPJMESA-N 428.916 4.622 30 10 IJEE C=CC[C@@H]1N(C(=O)CSCC(=O)Nc2cccc(Br)c2)CCCC1(C)C 1626454514 RSNXOANLQDDYOQ-KRWDZBQOSA-N 439.419 4.714 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(Cc3cccc(OC)c3)CC2)CCCN1C(=O)OC(C)(C)C 1632152896 HBLDOFMGQFQIJX-SANMLTNESA-N 442.600 4.822 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 1634435843 SESMNVWKAMRLES-ILBGXUMGSA-N 425.523 4.890 30 10 IJEE CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1635451214 DVSDJOFVKFFKKT-XMMPIXPASA-N 441.531 4.985 30 10 IJEE C=CCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OCC 1635697605 CYGSBLLMCCEHQY-INIZCTEOSA-N 427.353 4.674 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccc(F)cc1 1635837209 WHBWZRLXXTXEHS-NRFANRHFSA-N 437.515 4.687 30 10 IJEE C=CCn1c(SCC(=O)NCC2(c3ccccc3)CCCCC2)nc2ccccc2c1=O 1640657671 SCOFOKQESQFCKQ-UHFFFAOYSA-N 447.604 4.693 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)CC1 1658830416 OBCVAVUCJHZENZ-BZSNNMDCSA-N 441.963 4.667 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)cc2)c1 1659179913 DNMLWVFLRKLFTK-JOCHJYFZSA-N 441.409 4.922 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 1660547578 KAPACSWVPKQJPF-FXAWDEMLSA-N 431.581 4.712 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 1667568432 VUAIBWSMCZBZQD-UHFFFAOYSA-N 439.487 4.775 30 10 IJEE CCOc1cc2c(cc1CNC(=O)Nc1ccc(Oc3ccc(C#N)cn3)cc1)O[C@H](C)C2 1667890981 HMCLZRUJOXGJPM-MRXNPFEDSA-N 444.491 4.789 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1)c1ccc(Cl)cc1 1670741829 DXROQQGPGWKWFG-OAHLLOKOSA-N 439.668 4.524 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 1672798939 CYENYVSSPFLCGY-IRXDYDNUSA-N 432.952 4.713 30 10 IJEE C[C@](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)(c1ccccc1)C(F)(F)F 1673409129 FKYDTQRLAWNQKD-FQEVSTJZSA-N 436.865 4.521 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2cc(Br)c(OC)c(OC)c2)CCCC1(C)C 1678346076 GYOLFMLPDIPGSR-KRWDZBQOSA-N 425.367 4.743 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@]1(CO)CCc2ccccc21)c1ccc(C(F)(F)F)cc1 1679305510 OQHKEAUBKSMIMI-FYYLOGMGSA-N 432.486 4.888 30 10 IJEE C=CCC1(CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCC1 1682500990 PIQIQJWRBRYOQK-VXGBXAGGSA-N 434.371 4.935 30 10 IJEE C=CCC1(NC(=O)N[C@H](CC)c2ccccc2OCC(=O)N2CCCC2)CCCCC1 1682651092 LOGGUMJULKAVBH-OAQYLSRUSA-N 427.589 4.717 30 10 IJEE CSc1ccc(Br)cc1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 1684420736 BRAVBCFRLCCYKQ-UHFFFAOYSA-N 444.398 4.959 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCC1(c2ccc(Br)cc2)CCCC1 1684570078 FOSNXBJJNBPHTH-UHFFFAOYSA-N 441.369 4.772 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)c1ccncc1 1684648317 HMNZWBQPLSVXBA-HXUWFJFHSA-N 430.593 4.671 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 1686924515 DVPRHTOKGBPALT-MOPGFXCFSA-N 425.342 4.634 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)c2ccc(O[C@H](C)c3ccccc3)cc2)n1 1686978037 NZVVTDLLYYLZMT-LEWJYISDSA-N 430.552 4.949 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(OC)CCC(C)CC1 1689829370 XSLZMDCSJIFRLZ-PYQXHLOTSA-N 428.552 4.610 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(OC)C1CC1 1690003718 VRLMLXPUFWSCMQ-QHCPKHFHSA-N 438.984 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1nccs1 1690036938 HBOYYZRBDDCLJR-GOSISDBHSA-N 449.649 4.684 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1cn(CCCC)nc1C 1690090067 UZQBOZPYJKXAOT-UHFFFAOYSA-N 434.563 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1690203002 NJHZDZBOHHDYPC-HOYKHHGWSA-N 435.959 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690248528 OJYFFORBBFLAQK-XZYOPWHXSA-N 444.570 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690422732 YPNHHKNUEILCKZ-WAIKUNEKSA-N 448.970 4.724 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC=C(C)CC1 1690460288 FZZOZCKKBNYPBD-UHFFFAOYSA-N 432.572 4.749 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC1(O)CCCCCC1 1690555926 HYVZNSKQKXDMBR-UHFFFAOYSA-N 449.599 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(C2CC2)CCC1 1705484575 RMUUBZCOBFGDLN-AWEZNQCLSA-N 431.353 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccccc1CN(CC)CC 1705670884 MMVKJONKMXNJCQ-AREMUKBSSA-N 431.584 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1cc(Br)ccc1OC 1705715097 RRNWORUXNFHKBO-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)c2ccc(F)cc2)CC1 1705775885 PTZSALVQFLRHIT-QGZVFWFLSA-N 427.568 4.542 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCN2CCCC)CC1 1705778602 CJVDJZNLQGVOMJ-XMMPIXPASA-N 432.616 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CCC)C1 1705787468 UAYXTLOJCVAVRL-NRFANRHFSA-N 439.604 4.755 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(Cl)=C(Cl)C1 1705807774 NVTMVEOYJBLGKD-UHFFFAOYSA-N 431.371 4.772 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 1705817075 BQMGCCBOMHDJJZ-RTBURBONSA-N 431.625 4.841 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@H]1C 1705825426 SVSVRIPQQFRBAW-NHCUHLMSSA-N 442.604 4.631 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCCOCC1 1705826216 RILMOWKYLASLJF-UHFFFAOYSA-N 442.560 4.632 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 1705851108 UZURQHOSLJLSHY-IIBYNOLFSA-N 428.964 4.743 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCc1scnc1C 1705865285 VHICIEFJSIHFGU-FQEVSTJZSA-N 441.576 4.859 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)cc1F 1705871085 XHTNDGZCJGMKSD-UHFFFAOYSA-N 434.288 4.541 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CCc1nc(C)c(C)s1 1705878267 WPPFJEFHTNEABD-UHFFFAOYSA-N 446.624 4.835 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCC2)c1 1707725244 DUZQTJJBLHAMDH-UHFFFAOYSA-N 434.613 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(C)CCCS1 1722390719 FJQAAYZLSLYJIR-OFVILXPXSA-N 436.625 4.784 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1c(C)coc1C 1722391872 XASJCUOIJCSRDV-NRFANRHFSA-N 446.551 4.538 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOC)CCC1 1722406397 OJASSOMFEQZMSQ-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1722414929 GBRRYTVQODSYGX-GHTZIAJQSA-N 430.980 4.565 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@H](COC)C1 1722495020 PIMSVNRYZIHYBT-XWGVYQGASA-N 438.616 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](OC)C1CC1 1722504187 FHOIMFNPRYNHRR-LJQANCHMSA-N 449.393 4.544 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(OC)CC1 1722528499 HPKCETUCIVAHPR-DHLKQENFSA-N 426.605 4.808 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1722602678 HUGZQUVRNSDYFY-IBGZPJMESA-N 435.576 4.895 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1722643422 NCMJQPHCLWAICG-VXKWHMMOSA-N 439.648 4.853 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C 1722666649 RIYHBAYIZVWESD-PZUNEJSGSA-N 444.627 4.894 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)c1ccccc1 1722694160 MWQBKORFFFPVOM-ZWKOTPCHSA-N 449.624 4.631 30 10 IJEE CO[C@](C)(Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1729820269 HSLAKFGWOGZVEZ-AVRWGWEMSA-N 439.604 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cnn(C)c1 1740768584 MPOUDLPKIUYMDJ-UHFFFAOYSA-N 426.977 4.997 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](SC)C1 1740785979 KYAOPAWQANPFIH-ROUUACIJSA-N 435.638 4.648 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740812723 ITSCFQCFEQOWSA-LPHOPBHVSA-N 425.791 4.836 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](OC)C(C)(C)C)CC1 1740821251 GGZWNCGSHWZGNV-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)CN2CCCC2)CC1 1740836770 SRIRFMOCIFBJIT-GOSISDBHSA-N 445.558 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740852315 LFLZFXXTABPCPB-SFTDATJTSA-N 425.621 4.687 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1nc(C)c(C)s1 1740935067 ARKGQUAGXXHZQR-OAQYLSRUSA-N 437.613 4.876 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCCC[C@H]2C1 1740942892 QREBFEBDEVBCBD-QUCCMNQESA-N 429.996 4.549 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(F)F)c2)C1 1740983745 PBXLQMIOUCLDTG-LJQANCHMSA-N 430.524 4.698 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)C1CC1 1748668705 OKMPXZNXVUJYOP-OALUTQOASA-N 443.636 4.677 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CCCO)CC1 1748735294 OQCAUVFALDAHDO-SFHVURJKSA-N 426.630 4.534 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1sc(C)nc1C 1748836087 PMVOFYBDIWMOFN-UHFFFAOYSA-N 447.608 4.564 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)c1ccccc1 1748902850 VHHJOSLOJRUPRL-GMKZXUHWSA-N 432.612 4.853 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)C(C)(C)C 1748912509 FNMNRFQZJLJFIC-LJQANCHMSA-N 437.613 4.898 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2ccc(Cl)nc2C1 1749023664 ZSDXCIXOMLMRSY-UHFFFAOYSA-N 444.391 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCCN1CCCC 1749073145 IJZKNKRGUMDUJO-YIXXDRMTSA-N 449.643 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1749155754 KCMVAJCMROFENS-PKTZIBPZSA-N 425.621 4.787 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCN1CCC[C@@H](C)C1 1749553098 NHYDJLZCMLHZNS-LJQANCHMSA-N 441.670 4.916 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1749620594 AJVJZIUHHLASIG-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCC[C@@H]2C)C1 1749696066 OWOCQXXBDUNBLQ-UGKGYDQZSA-N 444.023 4.644 30 10 IJEE CC(C)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccn1 1751276781 DXHNBKAMGSVLDK-VWLOTQADSA-N 432.547 4.511 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCC1 1751379644 FNERORKGGVLCMB-RTBURBONSA-N 445.011 4.523 30 10 IJEE CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1752084329 FTXRHNUPRCEWCH-KOSHJBKYSA-N 440.661 4.602 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760130470 KDEIKNMRSJYONW-UHFFFAOYSA-N 438.881 4.750 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nnc(C(C)(C)C)s1 1760228416 FWJYDANVDNVRDS-UHFFFAOYSA-N 436.629 4.899 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1cccnc1OCCCC 1760240308 NEXZGKRIEBJRDN-UHFFFAOYSA-N 449.574 4.977 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1760315178 AZBROMJMLLCWQS-FVJLSDCUSA-N 444.576 4.567 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](C)SC)CC1 1760399331 JAHXCOIUFJTOQT-QGZVFWFLSA-N 430.618 4.895 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760442705 GNEMFZWFKICYAV-UHFFFAOYSA-N 427.637 4.596 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1 1760448073 VSIGZDKWKZXQOM-UHFFFAOYSA-N 430.556 4.525 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCCn1ccnc1C 1760479235 IVAGBFRUTYRKHK-UHFFFAOYSA-N 429.572 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@H]1CC(F)(F)CO1 1760485681 NCDOKPCGRMCGIB-MRXNPFEDSA-N 446.523 4.632 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1sccc1C 1760489270 DWUFYZLRDRDFHJ-UHFFFAOYSA-N 435.597 4.938 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCN1c2ccccc2C[C@@H]1C 1760498427 QYJPNPCGQYZQJH-FQEVSTJZSA-N 433.600 4.855 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC=CCC2)C1 1760537693 QXSKRRDGSGHTSV-HKUYNNGSSA-N 428.964 4.745 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1(C)C 1762965857 CNOXIENRAYFVKU-IBGZPJMESA-N 448.615 4.528 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)CCO1 1765245497 ACIAURGFJSCKTL-AZUAARDMSA-N 429.515 4.648 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCCC1 1771449745 ATVGSYYBUQJSOD-IBGZPJMESA-N 440.661 4.659 30 10 IJEE CCCCCCCCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 1860193224 KYBOSCXJEKJDMP-HNNXBMFYSA-N 449.393 4.545 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc(Cl)cc1 1861104608 ZZFLHVNZHPZIGG-VECWOOENSA-N 435.008 4.572 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2n1C 1861394657 ONVKQTFLZJYTEI-QHCPKHFHSA-N 433.596 4.996 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1c(Cl)ccc(Cl)c1Cl 1861963334 TZZILHOSZGUHMY-CQSZACIVSA-N 435.804 4.699 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(C)c1 1862490216 QDUMLFOYNHLXRR-DEOSSOPVSA-N 434.580 4.922 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C)cc1 1862543423 GQJQNLOUXNMYKE-XMMPIXPASA-N 433.548 4.879 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(F)cc2)c1 1862556045 NZPMYECUEYSGKY-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2F)cc1OC 1862571284 IVCGTHGLLDVZGM-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862622933 JCIYWVHRPNLLIX-IBGZPJMESA-N 448.346 4.862 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1862677923 MJHKDUOGCVOGME-LJQANCHMSA-N 435.854 4.623 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862737086 RVBRVROYIXXHHY-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccccc1Cl 1864225886 YTVWVZPCLQKGAT-IBGZPJMESA-N 448.954 4.610 30 10 IJEE C[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866771877 KBHKHHDLCMKXHQ-KSFYIVLOSA-N 433.458 4.502 30 10 IJEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868221140 GIWXVJMYVPBWGG-HSZRJFAPSA-N 442.542 4.774 30 10 IJEE CCCN(CCCN(C)C)c1cc(Nc2cccc(C#N)c2)nc(-c2cccc(OC)c2)n1 1868496326 XRDWJDGCPYJRIV-UHFFFAOYSA-N 444.583 4.936 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H]2Cc2ccc(Br)cc2)nc(C)n1 1869290378 SVVRGCAOVPRDCE-FQEVSTJZSA-N 427.390 4.937 30 10 IJEE CC(C)(C)c1cccc(-n2nnc(C#N)c2NC(=O)COc2ccc(Cl)cc2Cl)c1 1870145987 ZEKAGAYGAUOVJB-UHFFFAOYSA-N 444.322 4.761 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870162197 OKEUZXVEORZRGT-CABCVRRESA-N 431.805 4.553 30 10 IJEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870794494 SBHIYEOZQWDGAI-UHFFFAOYSA-N 426.557 4.666 30 10 IJEE CCOc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1C#N 1871286941 KKDXHSXIWMPWPF-CQSZACIVSA-N 445.928 4.613 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=C(C)C)C3=O)c1 1871419814 JOIBPYJGBJTDIM-UHFFFAOYSA-N 437.492 4.838 30 10 IJEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871427569 KCCOZQWIPMKGNL-MTJSOVHGSA-N 434.879 4.986 30 10 IJEE COCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871438295 TUOXNZIVRDHRMW-CPEHUTGBSA-N 438.520 4.866 30 10 IJEE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(C)cs3)cc2C1=O 1872789383 HRXVZTMJEWLFQU-HXUWFJFHSA-N 443.528 4.867 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(C)cc2)c(NC(C)=O)s1 1873463090 APFWGGOEPDZWGQ-UHFFFAOYSA-N 437.521 4.659 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(NCc3ccc(OC)cc3)ncnc21 1873635896 BJXXJCRYCRZUCQ-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE Cc1ccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SCCCO)cc1 1874214603 UQDGSHYGNUAXKZ-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2/N=C/c2sccc2C)cc1 1874259153 VSJPBXDZMYNDBE-HYARGMPZSA-N 430.599 4.536 30 10 IJEE CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccccc1OC(C)C 1874261465 IMZDOMZRSRJRAL-WYMPLXKRSA-N 432.496 4.917 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(C(=O)OC)cc1 1874328031 SKYLQZUGQZSHOV-ZVHZXABRSA-N 438.553 4.645 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874390184 ZJJWQRZBOCNQRQ-FOKLQQMPSA-N 449.363 4.631 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccn2C)cc1C 1874426193 VWNVWSPOQDPTQN-MFKUBSTISA-N 444.564 4.513 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCCCO)cc1OC 1874479633 JSQXOTUYWDHAIC-HAVVHWLPSA-N 434.606 4.555 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CC2)cc1 1874520097 ATBPBWKSQYMZCK-YDZHTSKRSA-N 430.574 4.508 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccc([N+](=O)[O-])cc1 1874575368 JPSQYUUVLIQGSZ-NTEUORMPSA-N 434.404 4.987 30 10 IJEE CCCN(CCC)C(=O)COc1cccc(/C=C/C(=O)c2cc(OC)ccc2OC)c1 1874596940 LPXJNUFFCFVOEA-ZRDIBKRKSA-N 425.525 4.627 30 10 IJEE CCCCCCCCC(=O)Oc1ccc(C(=O)CCN2CCC3(CC2)OCCO3)cc1 1874747498 LJNWBUNUJZSYAJ-UHFFFAOYSA-N 431.573 4.754 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1[N+](=O)[O-] 1875145827 VOSCUAMGTIQADI-MDZDMXLPSA-N 427.453 4.912 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)C(F)(F)F 1875151633 VGKNNJLVYHLDED-FNORWQNLSA-N 434.366 4.516 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)N(CCCC)CCCCCC)n2CCCOC 1875221457 QCBFQWIZNUHCLR-UHFFFAOYSA-N 429.609 4.888 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1890232465 UXOKXRDZDRNKHH-UHFFFAOYSA-N 443.347 4.674 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc21 1890766264 HNFQGGPCFSRSTG-UHFFFAOYSA-N 442.943 4.912 30 10 IJEE CCCN(Cc1ccsc1)C(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1 1891217076 LQYXNZXQPLULAI-UHFFFAOYSA-N 440.594 4.991 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1930726946 QYHVZDKJWSRJDB-JSGCOSHPSA-N 434.172 4.681 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1944734014 PUIVLRCMAQAFQJ-APWZRJJASA-N 431.533 4.586 30 10 IJEE N#Cc1cc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)ccc1F 1963524426 HOMQROVGJIPPBV-UHFFFAOYSA-N 441.462 4.707 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NC 2028851858 UJVNTXCQXSDQGK-SJORKVTESA-N 429.786 4.540 30 10 IJEE CC(=O)Oc1c(I)cc(Cc2ccc(Cl)cc2Cl)cc1C#N 2060384076 MAVRVVPVYZZGNX-UHFFFAOYSA-N 446.071 4.986 30 10 IJEE C=C(I)COc1c(Br)cc(Cl)cc1CNC1CC1 2077482770 JURSOJYSEPIRFS-UHFFFAOYSA-N 442.522 4.682 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1C 2080036155 INJZSJOSOHGRKH-HNNXBMFYSA-N 445.251 4.859 30 10 IJEE CC(C)(C)c1nn2c(N)cc(-c3ccc(C(F)(F)F)cc3Br)nc2c1C#N 2081195971 BUGRRTNGTCENOC-UHFFFAOYSA-N 438.251 4.929 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2081876811 OZAMOUGXKFJXJK-SBUREZEXSA-N 449.523 4.532 30 10 IJEE C#CCN(c1cc(Br)c(Cl)cc1N)C1CCN(C(=O)OC(C)(C)C)CC1 2112690361 CXLRBFPWOBWVJD-UHFFFAOYSA-N 442.785 4.524 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2163694134 KAMUENBKGRNRAH-DYESRHJHSA-N 428.349 4.951 30 10 IJEE Cc1cc(Br)c(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)cc1Cl 2163720528 HLKAJFPJWMKAQL-VIKVFOODSA-N 440.574 4.575 30 10 IJEE C[C@@H]1C[C@@H](C)N(c2cc(Br)cc(F)c2C#N)C[C@@H]1CNC(=O)OC(C)(C)C 2174768620 UZMBIBNQDBXOND-MCIONIFRSA-N 440.357 4.835 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3cccc(Br)c3C#N)CC2)CCC1 2174811540 ZDASRHZUXVGIHZ-UHFFFAOYSA-N 434.378 4.985 30 10 IJEE N#Cc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(F)c1Br 2186707287 CUVXGNLWQBHUES-INIZCTEOSA-N 442.254 4.713 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1cc(Br)cc(C#N)c1 2226200552 DBRZQLCPASMIEG-OAHLLOKOSA-N 430.293 4.767 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)cc1 2232326056 PDLXWEWPLXEXPR-INIZCTEOSA-N 439.365 4.710 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2235717537 BETUETVVGJZKCF-IZBJGVDFSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1C(=O)C#Cc1ccccc1Br 2235729925 UGLHJOWJYVAOIS-LJQANCHMSA-N 446.366 4.966 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2235746003 GZVTVNIZLTUDIN-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](CC#N)C1 2243925198 RVPXDMWDGFQFLF-DFBJGRDBSA-N 445.563 4.702 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2245891908 ADPBIGZALPWALY-IFXJQAMLSA-N 435.487 4.858 30 10 IJEE C=CCCC1([C@@H](O)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2263742848 RADVIHDBEXXEQQ-AWEZNQCLSA-N 432.380 4.756 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCN[C@@H](C(F)(F)F)C1 2294628282 VLLPVALLSPZYDK-PBHICJAKSA-N 448.283 4.767 30 10 IJEE CCN1C(=C2SC(=Nc3nc[nH]n3)N(c3cccc(C)c3)C2=O)Sc2ccccc21 2295181981 OKVHBUQVYJLGOS-UHFFFAOYSA-N 434.550 4.682 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2296221324 HRGCXCKEHGUAGM-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](O)(C#Cc2cccc(Br)c2)C(F)(F)CC1 2296233498 YDLZILLMIFNRIO-IBGZPJMESA-N 444.316 4.588 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2296276814 MEXPZBYTICTQLT-IMFGXOCKSA-N 435.406 4.672 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1OC 2296771478 DUPQARZSTSKFSM-HSZRJFAPSA-N 429.472 4.639 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(F)cc2)C1=C(O)c1ccco1 2297053521 BCAHCUHTZCJDMV-GOSISDBHSA-N 438.411 4.794 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2305316870 PSAQDTYAUURZKF-JMOWIOHXSA-N 428.573 4.555 30 10 IJEE COC(=O)c1ccccc1-n1c(C)cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c1C 2313557441 CWGAVYBIDDXDLK-UHFFFAOYSA-N 449.507 4.911 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2OC)c1 2314429882 QWXZXBUNHQGGRD-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1N=Cc1c(C(=O)O)[nH]c2ccc(C)cc12 2321767429 RZHAAMAJVMDAND-UHFFFAOYSA-N 433.537 4.893 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(Cl)cc1 2322528426 YLWQZZGHCKBOBN-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC(C)=O)cc3)ccc2C1=O 2323627078 BEPJMEYPYAPWLM-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE COc1cccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)c1 2325751093 SGLBDPUWIZERNX-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(O)c(OC)c1 2327020168 OPFSQUBYOVDKJK-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 2331563343 GUJINKAYUVSUQV-UHFFFAOYSA-N 443.358 4.980 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)C)c(OC)c2)cc1Cl 2331696217 GBZWZFJZVPXDCO-UHFFFAOYSA-N 448.899 4.832 30 10 IJEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2342469472 HZLYKCOMCQXDCX-QGZVFWFLSA-N 444.381 4.904 30 10 IJEE Cc1cc(C)nc(NC(=NC(=O)C(F)(F)F)N(Cc2ccccc2)Cc2ccccc2)n1 2213571 MQMSOEDCPCOSFO-UHFFFAOYSA-N 441.457 4.653 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)CCCSc3ccc(Cl)cc3)c2C#N)C1 9910758 UTLRSCXDPLPPPM-UHFFFAOYSA-N 433.986 4.689 30 10 IJEE COc1ccc(/N=C2/S/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)N2C)cc1 33294037 LYMITISHXLHCNP-XATRHVNRSA-N 434.477 4.628 30 10 IJEE CC/N=C1/S/C(=C\c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C(=O)N1CC 33614768 VVMQZPKUIXJZLP-AMQQTSRNSA-N 446.576 4.901 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)C(=O)NC(C)(C)C 33751068 YACLROIYCJGUMG-UHFFFAOYSA-N 431.577 4.721 30 10 IJEE CCCN(CCC)S(=O)(=O)c1cccc(-c2csc(N/N=C/c3ccco3)n2)c1 33960041 MQSKRVRJPZGLEG-KGENOOAVSA-N 432.571 4.660 30 10 IJEE COc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3ccccc3C#N)C2=O)cc1 34734359 SFVMNHHCBIKIAI-UHFFFAOYSA-N 440.503 4.651 30 10 IJEE C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(C)cc3)csc21 64656716 HNUPJQCIZMCBKL-SFHVURJKSA-N 439.558 4.928 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(Br)ccc1Cl 90730402 JIBWUPZHRVSZMB-UHFFFAOYSA-N 446.650 4.934 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)OC(C)(C)C 100222677 YWWXPZPBBVOWOP-IBGZPJMESA-N 426.598 4.576 30 10 IJEE CCc1ccccc1N/C=C1\C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O 105338119 PUJPTGURHPBBDK-DEDYPNTBSA-N 442.537 4.936 30 10 IJEE C=CCn1c(-c2sc(NC(=O)c3cc4ccc(C)cc4nc3C)nc2C)n[nH]c1=S 111200399 WSBIGARGJINGKJ-UHFFFAOYSA-N 436.566 4.976 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccncc1 170019575 HFPYGZBYXWLBQM-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc2ccccc12 170046162 GBRVAFVQNSJBJK-DEOSSOPVSA-N 445.515 4.772 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)cc1C 170048044 ODCVTOWGWPMTKP-XMMPIXPASA-N 442.515 4.853 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@@H]2c2ccccc2)cc1 170056385 FJFAGZUFSFFZCQ-OAQYLSRUSA-N 427.435 4.793 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)cc2)ccc1F 170057121 UQUMGMRWAWYENV-FQEVSTJZSA-N 431.891 4.791 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1C 170058220 QPQBREOVUSKEDI-PZJWPPBQSA-N 425.912 4.714 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2)ccc1F 170064981 CUWDDPIHLXCDDT-NRFANRHFSA-N 429.463 4.667 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c[nH]c3ccccc23)cc1 170073191 DNECUBRXKUJOFJ-QHCPKHFHSA-N 432.520 4.734 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 170078316 INOANZGSHQRWRV-QFIPXVFZSA-N 445.475 4.987 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170118514 UNBIRJOTIRJTNB-GBXCKJPGSA-N 443.499 4.606 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(OC(C)C)cc1 170152511 DHJRXFSJCCTOMZ-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 170159707 RLHNSTHRKCBCQN-NRFANRHFSA-N 435.501 4.857 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1 170167019 KVBQIVBTRJLKLC-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1ccc(Cl)cc1N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 170179884 OMRIICSLMGGTHM-UHFFFAOYSA-N 432.332 4.842 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccncc2)cc1 170200436 GLNQNEFGRCIVDM-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccncc2)c(C)c1 170203610 XFGPSFUIIIJSNW-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC)cc1 170216047 OKXQEEFZMXAGOH-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2)cc1C 170241598 MFNIZLWDCIHOCX-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1cccc(O)c1 170262841 KSBWEXDITLZHKF-LJQANCHMSA-N 444.325 4.842 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170347302 WLWXNNVOQZARTH-QHCPKHFHSA-N 439.471 4.523 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170363693 SAJSQRAZNGYWAE-QFIPXVFZSA-N 432.476 4.527 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1O 170409209 DRGNTWVQSMOEIJ-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CC(C)COc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(O)cc2)cc1 170450600 YSVHDAAHBCTKJE-QFIPXVFZSA-N 437.536 4.938 30 10 IJEE C=CCc1ccc(OCCCCn2c(CCNC(=O)/C=C\C)nc3ccccc32)c(OC)c1 205722141 HSKPDUOCQLQYPL-WZUFQYTHSA-N 447.579 4.867 30 10 IJEE N#Cc1cc(Br)ccc1Nc1ccc([N+](=O)[O-])c(I)c1 232453656 ZHPBTTQVGUGCOK-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 253489170 DEJAHKJPCKIYLY-SFHVURJKSA-N 432.520 4.924 30 10 IJEE COc1cc(C=NNC(=S)Nc2ccccc2)ccc1OC(=O)/C=C\c1ccccc1 254408541 WRPVXURQAOJYQH-BMLZHFMOSA-N 431.517 4.635 30 10 IJEE N#Cc1ccsc1C(=O)Nc1ccc2c(c1)[C@@H](NC(=O)c1sccc1C#N)CCC2 410223734 HDQQJKHTNLUGCB-SFHVURJKSA-N 432.530 4.613 30 10 IJEE O=C(c1ccc(O)cc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436824253 GATRFQVXCJEENR-MRXNPFEDSA-N 437.311 4.783 30 10 IJEE C=C(C)CN(C)C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 482202538 VWMLIONVVDGUEG-UHFFFAOYSA-N 427.595 4.850 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 511015855 SOUVQOVSLPGMBG-HSZRJFAPSA-N 449.551 4.887 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1sc(C)nc1C(F)(F)F 544678150 GCVFFZKEUJJBGX-UHFFFAOYSA-N 431.553 4.569 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 549253285 RMHMJUCWXIWNNE-WMZHIEFXSA-N 436.531 4.581 30 10 IJEE CC(=O)c1ccc2c(c1)CCN(C(=O)C1(C)CCN(c3ccc(Cl)cc3C#N)CC1)CC2 553430304 PUMRZGUZNHDSIO-UHFFFAOYSA-N 449.982 4.648 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 559008268 VBNNGVUWFSAQOW-GBXCKJPGSA-N 427.552 4.824 30 10 IJEE C#CCN(c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 586235510 AKAAXAHDZJHFED-UHFFFAOYSA-N 445.581 4.664 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1 610304038 FTDHGGKJOMOGIC-XMMPIXPASA-N 436.515 4.585 30 10 IJEE COc1cc(Br)c([C@@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C)cc1OC 698827844 NHWGWCDSSRJURG-OAHLLOKOSA-N 427.339 4.924 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(Cc3cscn3)CC2)cc1 727588989 CPLXSKKYCJPIFK-QHCPKHFHSA-N 431.565 4.538 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)ccc1Cl 734914059 IFQWGUZBYDCHHS-CVEARBPZSA-N 432.854 4.520 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)ccc1Cl 734914061 IFQWGUZBYDCHHS-HZPDHXFCSA-N 432.854 4.520 30 10 IJEE COc1ccc(CNC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1C#N 747071816 UVJLLSZAKMWRRR-UHFFFAOYSA-N 444.878 4.867 30 10 IJEE C=C(C)[C@H](CC(=O)OC[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)OCC 756564129 YWPVBPFNCPUHRE-DJPFJPOOSA-N 427.463 4.529 30 10 IJEE Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)CCC2=O)cc1C 760968613 LCJHHHNGBVXMBC-SJLPKXTDSA-N 436.462 4.668 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)n1 788810337 RLFIKHNHCIZYHT-UHFFFAOYSA-N 439.968 4.610 30 10 IJEE COc1ccc(CCN2C(=O)CSC2=Nc2ccc(Cl)c(Cl)c2)cc1OC 1088697432 JUJZFYPCZUJWKX-UHFFFAOYSA-N 425.337 4.816 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)C(F)(F)F)cc1 1128970729 MPCATQMQUVBEFO-JGDYFIEFSA-N 441.449 4.767 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1ccc(F)cc1 1129716595 IJFXGQQQFDJWKK-NZQKXSOJSA-N 436.527 4.875 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2cc(Br)ccc2OC)n1)c1ccc(F)cc1 1129717806 XWINHGBVUBDLGM-MRXNPFEDSA-N 445.313 4.825 30 10 IJEE O=C(N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)c1ccc(OCC(F)(F)F)nc1 1130271982 BTMQTCJKRSMWDD-HNNXBMFYSA-N 435.299 4.677 30 10 IJEE C#C[C@@H](NC(=O)[C@@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1141643890 APIKRPHREFHWCU-YIXXDRMTSA-N 432.564 4.858 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Br)ccc1Cl 1155584569 BYSGWZSWZNSWHG-INIZCTEOSA-N 445.785 4.968 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1161580622 ORHIQQFQBLLIDN-UPVQGACJSA-N 445.563 4.696 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1OC 1180178373 VZNTXSJRTOHKHU-HXUWFJFHSA-N 444.959 4.834 30 10 IJEE C=CCSCCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 1186080242 ZXADMDOUAKYEMF-UHFFFAOYSA-N 426.611 4.522 30 10 IJEE CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)no1 1191380931 DEPIVTJMNSFOGV-WMZOPIPTSA-N 427.574 4.610 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1 1199534498 HZQTZEJZPUBQGO-HXUWFJFHSA-N 434.540 4.888 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccccc1 1214354524 OUYWNPWMVULLJN-HSZRJFAPSA-N 441.597 4.936 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](Cc2ccccc2)c2ccccn2)cc(OC)c1OC 1225351018 SJXXURRHSHEYMT-QHCPKHFHSA-N 431.536 4.611 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)c(OC)c1 1265004982 BXDWLEWAADMJGV-UHFFFAOYSA-N 431.488 4.765 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Br)ccc2N2CCCC2)c(OC)c1 1265942283 YMZQFJIKJUZJGW-UHFFFAOYSA-N 445.357 4.804 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOc1ccc(F)cc1 1286366006 QHJIUMKZKDVHLC-KRWDZBQOSA-N 438.572 4.809 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286619853 DTLVNQZSCCMPIS-RHSMWYFYSA-N 425.360 4.685 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(F)F)c1 1286747042 GREXWECXBGNCEL-UHFFFAOYSA-N 445.539 4.656 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC(=C)Br 1286762813 NCGXQDYGSZDHDW-LJQANCHMSA-N 431.378 4.663 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)c3ccc(F)cc3Cl)n[nH]2)c1C 1293458233 LPGLUAFTSBSWKP-UHFFFAOYSA-N 429.927 4.576 30 10 IJEE C=CCCCCCN(C)C(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1293770339 IOSFVPBRSWNCBB-LJQANCHMSA-N 439.369 4.788 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1298925281 YLPJPVSGPJRHLQ-HXUWFJFHSA-N 440.927 4.574 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc1OC 1299718941 USAFZDJMMLNHDS-MOCOYGLXSA-N 449.938 4.824 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C(C)C)C(C)C)CC1 1301095567 JNAFEIXQHSCANB-UHFFFAOYSA-N 432.012 4.786 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1CCC2(CC1)OCCO2 1301208768 DAPFINAZRJJQPZ-UHFFFAOYSA-N 446.979 4.695 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC2CCCC2)C1 1301541914 GKCISPYNQHYGNH-LJQANCHMSA-N 448.970 4.868 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1301555893 DNACWLCJAXWWHW-BJKOFHAPSA-N 449.574 4.624 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 1301605365 KVOSMTQBKPHPSW-UHFFFAOYSA-N 431.536 4.670 30 10 IJEE C=C(C)[C@H](CO)Sc1nnc2n(-c3ccc([C@H](C)CC)cc3)c(=O)c3ccccc3n12 1307268189 UYVIOOGFKIKOGA-IERDGZPVSA-N 434.565 4.576 30 10 IJEE COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 1309034801 ANGUILSZTDFKRO-UHFFFAOYSA-N 446.450 4.981 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 1310181292 DKQXGRICEJQACM-SFHVURJKSA-N 444.466 4.725 30 10 IJEE N#Cc1cc(NC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(F)cc1F 1311137190 CUJNUDVBLGHBKR-UHFFFAOYSA-N 439.293 4.929 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1311257342 VCAJVNMCIQDDHZ-IBGZPJMESA-N 444.329 4.510 30 10 IJEE CCN(CCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)OC(C)(C)C 1311899512 HYYVENCXZGADEG-GOSISDBHSA-N 436.556 4.842 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 1357175047 GGXAROGKEBTUAF-FQEVSTJZSA-N 435.326 4.952 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1358916491 MXHADRPTQBMYLQ-QPPBQGQZSA-N 438.616 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1Cc1ccc(C)cc1OCC(F)(F)F 1359072944 WPWPRFYOHCKWGY-JOCHJYFZSA-N 432.490 4.521 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCSCC(F)(F)F 1359114587 PRKFVAWMBHTCCE-UHFFFAOYSA-N 434.478 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1359163936 YIRZIGXLQLTWDB-NRFANRHFSA-N 430.600 4.934 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br 1359226846 OCBKNFFMEIYVPR-LJQANCHMSA-N 449.393 4.511 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)Oc1cccc(C)c1 1359263121 QDAVNBVUQRLTQO-IBGZPJMESA-N 448.596 4.709 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)CN1CCCC1 1359263864 ODEAVMXOCBQLHU-TZIWHRDSSA-N 429.634 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)[C@@H](C)CC 1359268683 ZKSNGNSVDCTXHJ-HTAPYJJXSA-N 447.421 4.992 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCC(C)CC2)cc1 1359269653 JYPZFPDXXZWCAE-UHFFFAOYSA-N 428.584 4.803 30 10 IJEE C#CCN(C(=O)c1cc(C)n(C(CC)CC)n1)[C@H]1CCOc2ccc(Br)cc21 1360311180 QKXLRKATBLHBRJ-FQEVSTJZSA-N 444.373 4.914 30 10 IJEE C=CCOc1ccccc1CNC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1 1360567299 WNBILVRQGSDMPU-DEOSSOPVSA-N 428.532 4.737 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)cc1 1443250534 HFZOJRAVJTWMSD-UHFFFAOYSA-N 432.499 4.768 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 1446033500 LUZZBJNDUVSGME-XZOQPEGZSA-N 436.552 4.598 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1457350383 NPMRVJOXFIOQTJ-BCHFMIIMSA-N 433.552 4.719 30 10 IJEE C=CCn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O 1458728533 GWYWYCXBOGWNDD-UHFFFAOYSA-N 431.901 4.705 30 10 IJEE CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1459321779 GLYNCBCYHNULRR-JOCHJYFZSA-N 429.476 4.646 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Br)cc1 1465577943 DQOXHDVJZLQCHJ-JOCHJYFZSA-N 430.305 4.740 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 1466914575 ADNLUCNRUFDKIN-GOSISDBHSA-N 433.335 4.883 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1468500742 LASLVUMXYOEWPS-NRFANRHFSA-N 438.591 4.817 30 10 IJEE C#CCN(C(=O)c1csc(-c2ccccc2C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882052 GUEJEXQKWRHCIU-UHFFFAOYSA-N 439.581 4.593 30 10 IJEE C=CCn1c(SC[C@@H](Cc2ccccc2)OC)nc2sc3c(c2c1=O)CCCC3 1472931217 HQCNLJPWKLGRJH-QGZVFWFLSA-N 426.607 4.873 30 10 IJEE C=CCn1c(SCC2CC(C)(C)C2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 1472933523 IYIGFKUZJUOPFH-UHFFFAOYSA-N 448.658 4.690 30 10 IJEE C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(N2CCNC2=O)cc1 1474188830 CKCKAOMODWDJMX-LJQANCHMSA-N 426.520 4.518 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cc(C)cc1Br 1475384815 IJBFMGNNLUDYLD-HNNXBMFYSA-N 428.779 4.877 30 10 IJEE C#CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCOc2ccc(Br)cc21 1476342016 DTVIVVNXLBHSOI-SFHVURJKSA-N 444.285 4.657 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccc(C(F)(F)F)cc1 1478272538 NMUAQUQTKYVODH-MOPGFXCFSA-N 431.458 4.600 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 1478482183 HIHLAKWVCXHGFK-ZVDOUQERSA-N 442.485 4.765 30 10 IJEE CN(C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)c1cccs1 1503379900 FBHHVGWYTGIOTN-PXDATVDWSA-N 448.640 4.558 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1ncc(C)s1 1507521542 AAVGNUNPBDHQDN-UONOGXRCSA-N 444.402 4.734 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1ccco1)N(CC)CC 1507682401 NBRCFHIAHPZMRT-HXUWFJFHSA-N 431.540 4.827 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(C)CCCS1 1507694141 JXLYLMXPZWKIJR-HSZRJFAPSA-N 447.048 4.997 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCCC(C)(C)C 1507706885 QRGIAFWTYWKXKO-UHFFFAOYSA-N 433.394 4.620 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1507749655 XYUAHRUXZAHKIA-JOCHJYFZSA-N 448.640 4.684 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)CC1CC1 1507800259 ZNELTORIAVHLMW-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(OCc2ccccn2)cc1 1507823229 DSWQMTFZOWXYCD-HSZRJFAPSA-N 433.556 4.554 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1507848295 OZQCFYZUNSGVSQ-UHFFFAOYSA-N 437.371 4.658 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1507899568 LRAQFAHWSPOZEJ-UHFFFAOYSA-N 430.600 4.633 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCSC2)CC1 1507900103 FRSDYBVKDKLEKZ-SFHVURJKSA-N 428.602 4.508 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](CCOC)C1 1507912754 UBCZEGXZKXGYEK-LJQANCHMSA-N 434.588 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1507919446 NOAKVDRTSHEFRK-JOCHJYFZSA-N 426.605 4.535 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnn(C)c1C 1507938951 FZQIPIFWIGBTBW-UHFFFAOYSA-N 443.599 4.997 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1507943004 YJEINSYRHMPAHH-GOSISDBHSA-N 428.577 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(=O)c1occc1C 1507975332 PHJVFAVCFBVNKR-UHFFFAOYSA-N 435.572 4.586 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 1507988173 KBBSHLZBJFHVRZ-FDDCHVKYSA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C(C)C)N1CCCC1 1508008780 TWIHOBSBVBJSOP-IFMALSPDSA-N 443.661 4.547 30 10 IJEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCCCCCC2)cc1 1508097765 UFKYJJJKEOEEGJ-UHFFFAOYSA-N 439.604 4.580 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@H]1C)c1cccnc1 1508850411 FTVLGUNFDWFTAT-PWHSHALESA-N 446.624 4.982 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(F)c(I)c2)cc1 1516447528 UGZSXRXBLSHUSE-UHFFFAOYSA-N 426.250 4.513 30 10 IJEE COCC(C)(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](F)(C#N)C1 1518666792 BRBJBLDYVLKDFG-OAQYLSRUSA-N 437.922 4.632 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ncc(-c3cccc(C)c3)s2)CCCN1C(=O)OC(C)(C)C 1520795257 YSDPZUFUWHVXRW-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)c(OC)c1 1526454923 DLDXTJFQTVJKAD-OAQYLSRUSA-N 436.405 4.843 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)c2c(c1)OCCO2 1529485330 IPRBFUZNHDZCSI-UHFFFAOYSA-N 440.696 4.841 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCc2cc(C)co2)c1 1534736590 BZCQFPDWOBNDQD-UHFFFAOYSA-N 445.924 4.980 30 10 IJEE N#Cc1ccc(OCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1Br 1536041858 FWCNAZVGPOVHRN-INIZCTEOSA-N 437.746 4.706 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1536549604 HUMMLNJZLDINAB-KPZWWZAWSA-N 433.733 4.935 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1)c1ccccc1 1537974273 DOIOMOXTLCIFRL-GJZUVCINSA-N 448.607 4.827 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CCCCC1)N(C)C 1538985583 BLGZJXHTIDBXIZ-UWJYYQICSA-N 444.023 4.576 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1539052347 NVNVQQHVBCUGTE-NRFANRHFSA-N 447.583 4.628 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C)C1 1539500143 UDIGYSYWMVMNHE-HNNXBMFYSA-N 433.419 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1539917986 ISGOKQVLHOZFCE-QHCPKHFHSA-N 442.567 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1539925680 AXTYCFHVZADRMC-JOCHJYFZSA-N 448.615 4.848 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1539953917 PVTLJFOAGVXLQS-UNMCSNQZSA-N 442.629 4.864 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1539955157 QZAMROVADVGSFR-UHFFFAOYSA-N 439.947 4.757 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1539989504 WNWLAQOIBGQJFT-GOSISDBHSA-N 429.996 4.697 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 1540087095 NSEGXXLASUPTEY-UHFFFAOYSA-N 435.572 4.717 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1csc(COC)n1 1540142858 PGDANAINUQOANP-UHFFFAOYSA-N 429.615 4.841 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1544401387 DOCIZOWAWQAPQU-QHCPKHFHSA-N 433.552 4.599 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 1545446761 UVVDTPZMCCJWMI-IAGOWNOFSA-N 438.952 4.660 30 10 IJEE CCOCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](C)(C#N)C1 1548065067 CUGYYHDHHGQCDS-RUZDIDTESA-N 439.604 4.667 30 10 IJEE CS[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1555851620 DQXYHZQQWAZCMV-XMSQKQJNSA-N 426.565 4.646 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@H](c3ccccc3F)C2)cc1 1559859520 FTBBYFYTXFRAJG-IBGZPJMESA-N 446.526 4.542 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1ccc(Br)cc1Cl)C(C)C 1563453326 FAGHYZBOGKLAHU-IBGZPJMESA-N 442.829 4.943 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(F)c(C)c1)[C@@H]1CCCO1 1564603950 VMNADRMTOPORMM-SFTDATJTSA-N 430.907 4.902 30 10 IJEE C#C[C@@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(Br)cc1 1584708046 JMPZULXCPNOZIH-LJQANCHMSA-N 439.309 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1587621715 XVQDYWMRBOJRPU-DYLHXGEVSA-N 446.599 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1589242630 CYPVVYFFQJIDBC-GDKKVTFASA-N 449.643 4.668 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC1CC(F)(F)C1 1589505370 LWFYHLUOGWHEIK-NHCUHLMSSA-N 430.543 4.970 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(CC)C(C)C 1589580326 NOYPUDRLISQDMV-XMSQKQJNSA-N 430.618 4.795 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(COC)CCC2)CC1 1594014574 STBZVQZODGYRLP-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1594478341 PJAGAJUQUMDYCD-UHFFFAOYSA-N 434.544 4.963 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](COC)C1 1594679238 BKGMATAMXIPXRJ-QUCCMNQESA-N 448.995 4.506 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)s1 1595239882 VVLRTPKCOLOELJ-SFHVURJKSA-N 428.989 4.780 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)(C)COC)C1 1595688975 QVIVBUWBTDBBJE-LJQANCHMSA-N 444.645 4.729 30 10 IJEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CCC(F)(F)CC1 1603678315 FCJSDUZYMMAIMM-UHFFFAOYSA-N 442.558 4.500 30 10 IJEE CCO[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1)C(C)C 1616107861 ACECBGWDTGXGQR-QFIPXVFZSA-N 437.588 4.560 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(Cl)ccc1OC 1621740377 HQQOJJGGRMNYNG-UHFFFAOYSA-N 448.741 4.627 30 10 IJEE C=CCOc1ccc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)cc1OC 1625401852 BLPXLESPFXKOIZ-UHFFFAOYSA-N 430.342 4.874 30 10 IJEE C=CC[C@]1(C(=O)NCc2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1627830001 YCDYHSLIDAMWJY-HXUWFJFHSA-N 428.451 4.547 30 10 IJEE C=CC1(CC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 1628120175 LOMIAYCRLNVTJN-UHFFFAOYSA-N 449.979 4.572 30 10 IJEE C#CCONC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)C[C@H](C)C2 1629149972 LSWGRNLPPXJHMQ-ONZPZFSWSA-N 425.532 4.718 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 1630066115 RPWQQVQNTJXLLG-KSSFIOAISA-N 440.943 4.828 30 10 IJEE C=CCN(C(=O)c1cnn(-c2cc(C)ccc2C)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1632978757 ZBCYLNJYCJHJHB-RUZDIDTESA-N 445.563 4.600 30 10 IJEE C=CCCC[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)c1ccccc1 1633305960 OCEKGLQFLDUPQZ-WRDKKKNXSA-N 439.600 4.727 30 10 IJEE Cc1cc(Br)cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1C 1635679571 FSRIWJCGYUMVRO-HXUWFJFHSA-N 446.776 4.742 30 10 IJEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(C)C)C2)s1 1649604408 FMECCTISAZSEGL-HXUWFJFHSA-N 434.613 4.951 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)CC1 1651215181 UCDTZVFRHXMNDJ-UHFFFAOYSA-N 448.972 4.626 30 10 IJEE Cc1cccc([C@@H]2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)C2)c1 1654119773 APNQJXHOOOPQPJ-XMMPIXPASA-N 426.564 4.761 30 10 IJEE Cc1nc(C#N)cc(Oc2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)n1 1655244445 CFAJUDNQQLNNKP-UHFFFAOYSA-N 434.253 4.929 30 10 IJEE Cc1cccc(-c2cc(Cl)ccc2NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1661257007 FVPSKUIIECSUMH-UHFFFAOYSA-N 431.927 4.936 30 10 IJEE COc1cc(F)ccc1S(=O)(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1661928685 BHSNQCAVCWCBMF-UHFFFAOYSA-N 445.356 4.693 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 1662653509 ASVZOTAILWUJKD-OXQOHEQNSA-N 448.972 4.541 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CC1 1669780093 SNRZLYNQZFQPAV-OAQYLSRUSA-N 432.536 4.889 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc(OC)c1OC 1670262933 SZYHIEMFHOXUQG-UHFFFAOYSA-N 440.931 4.902 30 10 IJEE C[C@@H](O)C[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1ccccc1 1671278829 DNTDSMLSFHHLAM-WIYYLYMNSA-N 445.567 4.718 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1 1671408087 BIWBWHRYFDZKOX-UHFFFAOYSA-N 435.446 4.715 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(I)cc1Cl 1672029637 HLVMBSKPQNZRGX-WBMJQRKESA-N 432.733 4.879 30 10 IJEE C#CCOc1ccc(CNC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)cc1 1672951945 NHOUFDWEPMJNDM-QFBILLFUSA-N 427.342 4.549 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 1673577729 KIAWWCGBHBQXQB-UYAOXDASSA-N 426.866 4.577 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1673749807 HCJJCZATHLYIPJ-NRFANRHFSA-N 429.351 4.774 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)NCCC(=O)N2CCCCC2)cc1 1678483772 BLXINXGRUFVFSO-UHFFFAOYSA-N 442.972 4.887 30 10 IJEE C#C[C@@H](NC(=O)NCC(F)(F)c1ccc(Cl)cc1)c1ccc(Br)cc1 1682384495 PMXKNLXPDAKRHF-MRXNPFEDSA-N 427.676 4.868 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)c1ccc(F)c(F)c1 1686174198 ZLMOOIFVWCRODD-SJORKVTESA-N 437.288 4.681 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(Cc1ccccc1)Cc1ccco1 1690173040 UPEMLSONOSKIGI-JOCHJYFZSA-N 436.581 4.686 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1690419519 UXRHERYNMGLGAH-SJORKVTESA-N 429.996 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CCC 1690432951 PIYLJFKESCDTLW-LJQANCHMSA-N 425.625 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1690435113 RNZJSIUHPRWQHU-NFBKMPQASA-N 431.584 4.833 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690486853 WCCZZIBOIXIQJD-UHFFFAOYSA-N 440.979 4.535 30 10 IJEE C=CCCCn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690493656 ODVMKIFGCXAHPW-HSZRJFAPSA-N 430.980 4.501 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(CO)c1 1690586240 IJOFRNDSUUYSKO-UHFFFAOYSA-N 434.609 4.995 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1690688413 UZMNSDUDGPCRKJ-WOIUINJBSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1690742446 QQCYKLVIGXLJIT-LJQANCHMSA-N 428.577 4.703 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1sccc1C 1705484077 IMKIPKMBWBWXBP-GOSISDBHSA-N 432.549 4.993 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)C(C)C 1705590624 RIBMKDCQBLQMQL-OAQYLSRUSA-N 447.608 4.511 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H](C)C#N 1705653983 UWNOIFUQGPWIFQ-YJBOKZPZSA-N 446.020 4.651 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1705658053 ALRSXKCWVUNHDF-GOSISDBHSA-N 439.654 4.525 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C1CCCC1 1705708215 ZOYAKGOGZVDIEY-BDKRGJGYSA-N 430.637 4.947 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC(F)F)c(F)c1 1705714161 HEJAVCRXJUTQCQ-UHFFFAOYSA-N 431.462 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](COC(C)C)C1 1705748968 GVTYECWZQALVGH-OAHLLOKOSA-N 445.778 4.635 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(Cl)c2)CC1 1705764317 UZFTUABLWGVXHZ-UHFFFAOYSA-N 432.753 4.894 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cn(CCCCC)nc2C)CC1 1705765342 HJVVWTHLLVMVLC-UHFFFAOYSA-N 439.995 4.893 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3c(C)cccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705802786 WFRAAGPKBSKBBQ-AREMUKBSSA-N 438.616 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1Cc1nnc(C(C)(C)C)s1 1705866475 RRWDJMYZWIHLBP-UHFFFAOYSA-N 428.631 4.997 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1 1705878937 GSDZQXMLPXZHNE-QFIPXVFZSA-N 433.581 4.931 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705888323 RCKOEDADNSTSGU-GMBSWORKSA-N 431.378 4.917 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705939149 AIPIQRRHHWXDFE-KRWDZBQOSA-N 437.654 4.547 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1706748161 GPUOCHWLNWSOHT-AZUAARDMSA-N 444.624 4.711 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H](c2cccnc2)C(C)C)cc1 1707531929 AJHJCOFHLAKZHA-OFNKIYASSA-N 432.572 4.596 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@@H]2CCCO2)CC1 1722328697 XJBZUZKPISOKPL-URXFXBBRSA-N 436.600 4.844 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722329006 AXARLEJIQJWNHI-VXKWHMMOSA-N 437.632 4.702 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722330544 VIYDQOCBILPVAH-PMACEKPBSA-N 446.599 4.664 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1722343494 HFQCRGLLUKKRLJ-MOPGFXCFSA-N 448.640 4.567 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Sc2ccccc2)CC1 1722388379 VSACWRPAJWRASB-FGZHOGPDSA-N 448.636 4.594 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722390519 SMAXPQYHMHZMBQ-RBUKOAKNSA-N 430.474 4.710 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](CC)C1 1722452490 PHDCVABCFQRJCI-SFHVURJKSA-N 437.638 4.980 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722453720 ADWYTOPQMSAKEK-FQEVSTJZSA-N 449.624 4.644 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCC(C(F)(F)F)CC1 1722504359 HIKQEZYJBDVIKN-WIXQSORDSA-N 444.542 4.701 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)[C@@H](F)C1 1722529018 SLUDPCMDNJWRGO-NQIIRXRSSA-N 440.519 4.504 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1722543907 ARJNCQHMAVLMKN-MRXNPFEDSA-N 447.992 4.931 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(C)(C)OCC)CC1 1722561872 BPWAISZYNJPUDS-UHFFFAOYSA-N 428.577 4.714 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCc2ccc(Br)cc2C1 1722629940 QEIKPBWZKNRBTA-UHFFFAOYSA-N 447.421 4.785 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1noc2c1CCCC2 1722635480 RLKZTGGVQLDXLB-UHFFFAOYSA-N 442.361 4.553 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(Cl)s1)C1CC1 1722645575 RODVMHKFTVKVLB-UHFFFAOYSA-N 430.961 4.880 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cscc1C(F)(F)F 1722666277 MNIXOWXGEKUKKY-UHFFFAOYSA-N 448.470 4.981 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1722682410 HPBUIAFAGJVJOH-LJQANCHMSA-N 442.361 4.962 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](CC)O[C@H](C)C1 1722683800 VUGHMZGYJCXGHW-OCCSQVGLSA-N 425.758 4.551 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1Cc1ccc(N2CCCC2)nc1 1722689920 JBMLRELEYYTXDY-UHFFFAOYSA-N 430.600 4.680 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCSC1 1740556805 JJFYMTKJKBJINQ-LSDHHAIUSA-N 439.412 4.765 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](CN(C)CCC)C1 1740582842 RZQXEBJMOGGSHH-UXHICEINSA-N 439.673 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1(CCC)CC1 1740650178 RIALIHFSRVEKDS-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1740731198 RAXYEADBDHILFJ-KBMIEXCESA-N 441.620 4.575 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1740787135 BBQOWYKXAUVPIH-SFTDATJTSA-N 449.599 4.559 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(F)F)C1 1740850816 KWAXFLMBOGEJKW-APWZRJJASA-N 432.515 4.874 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1740877119 YSFSXRHJNCYMQN-PMACEKPBSA-N 434.943 4.856 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCO[C@H](C)C1 1740879649 PFWBYRUXURRGEZ-LJQANCHMSA-N 432.996 4.833 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCc1csc(C)n1 1740916478 OIGFACWXKHXMFM-JOCHJYFZSA-N 448.596 4.592 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](c1cccs1)N(C)C 1741343492 FYBXFCQPMMNBHK-JOCHJYFZSA-N 446.624 4.931 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCc1cc(C(F)(F)F)ccn1 1748659194 DMULKHCGPOSJCK-AWEZNQCLSA-N 433.865 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1ccc(Cl)s1 1748662441 WQRSAZNCYIVWTI-INIZCTEOSA-N 436.972 4.546 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC2(CCC2)C[C@@H]1CC 1748701896 SNSBXRGVJNZYJZ-KRWDZBQOSA-N 430.394 4.998 30 10 IJEE C#CCCCCn1c(N2CCc3ccccc32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748730906 RAHRYXHLWAYXPT-BGYRXZFFSA-N 435.572 4.547 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOCC2(CCC2)C1 1749026485 CZUYZWGUXPSBCE-UHFFFAOYSA-N 438.641 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 1749121542 NJCSXZRFIKYKFE-LPHOPBHVSA-N 429.977 4.673 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1749297033 YFRVNQCNRFTRSU-UHFFFAOYSA-N 430.556 4.529 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749354570 UHWAUDQDWNIFSY-FCHUYYIVSA-N 437.632 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1749373802 VCHIETUAXBSWCN-GBESFXJTSA-N 441.645 4.887 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCOC1 1749390218 ATSDTRNABYTBCW-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1749448941 GEDMMTZLJSHGHB-UGKGYDQZSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1CCCCO1 1749545097 SCUPSEJSIINKSJ-RBBKRZOGSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H](C)CN1CCCCC1 1749550689 HECMDHOPQYFLGP-FQEVSTJZSA-N 436.629 4.716 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H]1C 1749595864 LMNRMOAWOMJUMB-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCC(CN(C)C(C)C)CC1 1749690446 RSDRNTVWERRNMX-UHFFFAOYSA-N 437.632 4.715 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(Cl)ccc1OC 1749755363 YGVUMIPIXINMOH-IBGZPJMESA-N 437.009 4.737 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1750228061 GRZNGBPOKQQOGO-DZFGPLHGSA-N 439.629 4.885 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CC1CCN(Cc2cccs2)CC1 1760107785 RZNICQYCANUCIH-FQEVSTJZSA-N 433.625 4.685 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(Cl)ccc1OC 1760333305 CUKHYPVPAGXOFP-IERDGZPVSA-N 441.963 4.553 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1760445999 CKKXYGMOXBSHFQ-QFIPXVFZSA-N 431.540 4.906 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cccc(COC)c1 1760485367 AIQNUDZEWXGZOV-UHFFFAOYSA-N 431.565 4.789 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCOc1ncccc1F 1760486006 ZQCRAOKAHULITR-UHFFFAOYSA-N 439.516 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C 1760486688 WLWKYUWVWZJVEX-XXBNENTESA-N 430.618 4.715 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC[C@H](C2CCC2)C1 1760560182 PKDZCBOEPZAUQH-PKTZIBPZSA-N 440.657 4.992 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C#N)c1)c1cccnc1 1760877359 FLTJKGQYJXZZJZ-XMMPIXPASA-N 437.551 4.683 30 10 IJEE CC[C@H](Oc1ccccc1/C=C1/SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(=O)O 1772763417 POMBFGGDMUYPIV-ZAJCZGOISA-N 440.521 4.567 30 10 IJEE Cc1cccc(C(C)C)c1NC(=O)COc1cccnc1NC(=O)c1cccc(C#N)c1 1858715335 FGMJRFUYJXHOMA-UHFFFAOYSA-N 428.492 4.655 30 10 IJEE Cc1c(Cl)cccc1-n1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)cc1C 1859648830 ZOGRCIGNVDOEEC-UHFFFAOYSA-N 438.940 4.567 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc2ccccc12)c1ccc(Cl)cc1Cl 1862384206 VSRNWMLQUDVRPQ-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Br)c1 1862409195 FCWLWIJSSTXZAR-LJQANCHMSA-N 444.325 4.754 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862450455 HPVUFKCXZUJMLN-RNODOKPDSA-N 429.900 4.821 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1ccccn1 1862456586 VOXVNQZUVBLDME-NRFANRHFSA-N 438.405 4.586 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862502268 VNRCTQFRBIFIDT-HSZRJFAPSA-N 430.479 4.870 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccc(O)c2)cc1 1862533051 KDLAPSNAPBHMRS-XMMPIXPASA-N 443.499 4.742 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862602492 DDAKOMAWLDOEBV-HSZRJFAPSA-N 429.472 4.569 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1Br 1862647225 YSYRXMYWODELSR-SFHVURJKSA-N 448.288 4.585 30 10 IJEE CN1CCCc2cc([C@H]3C(C(=O)c4ccc(F)cc4)=C(O)C(=O)N3Cc3ccco3)ccc21 1862679299 CCLKJKNQMAZILQ-QHCPKHFHSA-N 446.478 4.580 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Br)c1 1862696755 VTOULVBFQYTYFC-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(N(C)C)cc1 1862701697 LLDUHGXOGFDYHJ-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879451 QWXPZOWPMLXIQV-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccc(F)cc1 1864785385 NARDCYBGXKMNGF-HXUWFJFHSA-N 442.579 4.683 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc[nH]1 1864933317 GHOUPQIYYNUSDQ-FQEVSTJZSA-N 441.620 4.601 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccccc2C)n(-c2ccc(Cl)cc2)n1 1870002240 GVILXJFXCDHDNY-UHFFFAOYSA-N 435.959 4.979 30 10 IJEE C=CCn1cc(OCCc2ccccc2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870191710 PTIQLEJGJQJZGR-UHFFFAOYSA-N 431.561 4.966 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CN(CCCC)CCCC 1870418021 RVPIRIKHWSNQPW-UHFFFAOYSA-N 434.621 4.939 30 10 IJEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN(CCCC)CCCCCC 1870514896 KHUBBNCXKIMPJB-UHFFFAOYSA-N 447.664 4.854 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870766863 JYHZKRILYPNVRI-PMACEKPBSA-N 448.563 4.506 30 10 IJEE CCCCCCCOc1cn(CCCOCC)c(CNc2ccc3c(c2)OCO3)cc1=O 1870830733 XQDMBJSNISUFKT-UHFFFAOYSA-N 444.572 4.965 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871251013 JDJLEQJQXFAKTF-UHFFFAOYSA-N 430.552 4.777 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1)C3=O)CN(CCCCN(C)C)CO2 1871355016 NDNJRMNPAGCPAQ-MTJSOVHGSA-N 426.944 4.758 30 10 IJEE Cc1cccc(CN2CCN(Cc3c(O)cc(C)c4c3O/C(=C\c3ccco3)C4=O)CC2)c1 1871397909 XPDLKKKQJYUHII-IWIPYMOSSA-N 444.531 4.536 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871777034 QJEUOTADTWEIBS-OFNKIYASSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CC1 1871789234 XZYYHTBPOYJERP-GOSISDBHSA-N 433.401 4.861 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871874739 VZZPNROLHMRUED-XMSQKQJNSA-N 432.561 4.754 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872080566 UYQMQJJADQVNLQ-HSZRJFAPSA-N 428.598 4.706 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872088011 RDYVBPOPRZZBOR-VGSWGCGISA-N 432.561 4.754 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C)S(=O)(=O)CCC 1872113499 XBXJSLKLFRYUPT-MRXNPFEDSA-N 440.915 4.550 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCC 1872156653 POPROYCMIMWRKH-HSZRJFAPSA-N 449.661 4.648 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872556190 ZJPWKMSTZVBVOI-NRFANRHFSA-N 434.989 4.941 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccccc2)C1=O 1873415227 KFDBJUYWKQMFAV-UHFFFAOYSA-N 448.563 4.955 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(N(C)CCO)ncnc21 1873663573 GWJOPPRIVATMCR-UHFFFAOYSA-N 435.572 4.545 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)cc2)cc2c(N3CCCCC3)ncnc21 1873668510 ABVWQNOIMSTQJK-UHFFFAOYSA-N 440.345 4.622 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874249554 GMHTWCHDGUOVKF-XQNSMLJCSA-N 439.541 4.891 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2cccc(OC)c2OCC)cc1 1874256454 BVHXHOPQWIKLGP-BUVRLJJBSA-N 440.569 4.821 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1C(=O)O 1874436985 HYBBJYRPMFICCW-ZMOGYAJESA-N 426.517 4.879 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(F)cc2)nc2ccccc12 1874456208 GVRGBKBJCVNIGI-DHRITJCHSA-N 448.527 4.898 30 10 IJEE C=C(C)CSc1nnc(C2CCC2)n1/N=C/c1cc(Br)cc(OC)c1O 1874495500 OLHKOZZRGJBTEW-AWQFTUOYSA-N 437.363 4.573 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1c(F)cccc1Cl 1874503769 ZCAWAPJKVHRRBY-WYMPLXKRSA-N 445.951 4.945 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874528835 DNLAPPAVUSZYAX-FOKLQQMPSA-N 434.924 4.825 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(Cl)cc1Cl 1874530576 PYUMBUWKMSQLGT-LSHDLFTRSA-N 434.352 4.815 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc4cc(F)ccc4nc3C)cc21 1890701222 ABVYILXUKGCTNE-UHFFFAOYSA-N 433.483 4.872 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3cccc(OC4CCCC4)c3)n[nH]2)c1C 1892149065 MARBZFGVWDVSJF-UHFFFAOYSA-N 433.556 4.718 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F)NCC 1922115961 MBMHHMQIVAQGMZ-RTBURBONSA-N 430.511 4.925 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2002378789 SYLZZUJKATWBIG-JOCHJYFZSA-N 427.633 4.574 30 10 IJEE C=C(CNC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1)B1OC(C)(C)C(C)(C)O1 2020853217 MMMVMDSFANBLQC-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE C[C@@H]1[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC[C@]1(C#N)NC1CC1 2055575520 YSZVVLVRBDHJTE-KEKPKEOLSA-N 430.640 4.824 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 2063400248 JSZDJGFHZDZKHZ-UHFFFAOYSA-N 443.544 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](n2nc(-c3ccccc3)c(C#N)c2Br)C1 2080352053 DKRASXPRBWIXTN-HNNXBMFYSA-N 431.334 4.756 30 10 IJEE C=CCN(CC[C@H](Cc1cc(Br)ccc1F)NCC)C(=O)OC(C)(C)C 2099289428 ZBVUSCVYJLJCSV-QGZVFWFLSA-N 429.374 4.922 30 10 IJEE Cc1ccnc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2116079300 QEQYMBPZGKADEH-IFMALSPDSA-N 436.405 4.509 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CCC2(CC1)C[C@@H]2CN 2158292784 SDCFASJVQGNOBG-TVRCVXMWSA-N 434.378 4.992 30 10 IJEE C[C@H]1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)cc(F)c1C#N 2174768622 UZMBIBNQDBXOND-RDBSUJKOSA-N 440.357 4.835 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181143738 LONBOKCWKGFFQP-ZBFHGGJFSA-N 436.350 4.590 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2219977941 ZXPCFOCSUIKHQH-FQEVSTJZSA-N 440.462 4.532 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1ccoc1CNC(=O)OC(C)(C)C 2235730886 PHNISZKPAVTWGT-SFHVURJKSA-N 433.346 4.769 30 10 IJEE C[C@H](C[C@H](O)C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235741045 AWVNKURWQPVUDN-NZSAHSFTSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2CN1C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2267567432 KHFHFIRSDWUKQD-WGSAOQKQSA-N 442.365 4.553 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2cccc(Br)c2)CC12CCCC2 2296221128 FWYVQRNVTXJUCC-PKOBYXMFSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296224978 PSNNPXVFNVRVPW-BHIYHBOVSA-N 435.406 4.718 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H](C#Cc2cccc(Br)c2)NC)C1 2296225728 YJGGZAJXAGAKCD-NSISKUIASA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2296267396 SKFZSXCXTFNQBA-AZUAARDMSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@@H](N)C#Cc2cccc(Br)c2)CC1 2296270615 ADPPQBMUUOTBOS-QLOJAFMTSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@@H](N)C#Cc2ccc(Br)cc2)C1 2296307719 XZGZFEPNBHDDJV-YZGWKJHDSA-N 435.406 4.992 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)c1 2296565369 IZQSOHCCNUMCAG-JOCHJYFZSA-N 432.476 4.741 30 10 IJEE COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2296598255 QSNYIWOZCYUZHQ-UHFFFAOYSA-N 434.469 4.635 30 10 IJEE Cc1ccc(Nc2oc(C=C3SC(=S)N(Cc4ccccc4)C3=O)nc2C#N)cc1 2297455710 GKKDYADDLUUEFO-UHFFFAOYSA-N 432.530 5.000 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2305319346 LZLABCNUOPFEDV-BPYKYCOYSA-N 428.573 4.555 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 2306619060 YVUAIFZAINFHDQ-KEVCNVLYSA-N 428.573 4.840 30 10 IJEE O=C1Nc2ccccc2C1=C1SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 2314542161 HNVHRTCMVARWKP-UHFFFAOYSA-N 438.940 4.994 30 10 IJEE C#C[C@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CN(Cc2ccccc2)C2(CCCCC2)C1 2315324367 YGKGKEVBRZMYPG-AREMUKBSSA-N 437.628 4.520 30 10 IJEE O=C(C=Cc1cc(Br)c(OCCO)c(Br)c1)c1ccc(F)cc1 2324184797 UHFXPSRNEKNVSQ-UHFFFAOYSA-N 444.094 4.618 30 10 IJEE CCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O 2324879719 BHHAJWQFCIQJSC-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325481652 UYLJAELFXZBWQF-UHFFFAOYSA-N 444.443 4.927 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(NC(=O)C5CC5)cc4)ccc3C2=O)o1 2325649045 SVYRLLHUHQTIFX-UHFFFAOYSA-N 443.455 4.814 30 10 IJEE CCc1ccc(C(=O)C=Cc2cc(OC(=O)CCOC)c(OC)cc2Br)cc1 2325705164 LHCBVEIGEBJOTI-UHFFFAOYSA-N 447.325 4.858 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C=Cc1cc(OC)ccc1OC 2325731194 GKYADDLIOUKFNF-QFIPXVFZSA-N 432.605 4.869 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3F)c2)c1 2325743933 UKJVSZNZWIMOLZ-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330073613 VASCRHPRWQLZQE-OAQYLSRUSA-N 432.605 4.869 30 10 IJEE CCSc1nnc(Cc2cccs2)n1N=Cc1cc(Br)ccc1F 2330368331 NUIMQSBFFCNNBY-UHFFFAOYSA-N 425.352 4.826 30 10 IJEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc3c(c2)OCCO3)c1 2331187004 BDFQNWYMRIGFON-UHFFFAOYSA-N 432.505 4.792 30 10 IJEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1 2331440393 NQNOEYDACGGJKZ-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE C=CCN(C[C@H](NCCC)c1c(OC)ncc(Br)c1C)C(=O)OC(C)(C)C 2370555213 KMWMTCPYYMGFBS-INIZCTEOSA-N 442.398 4.625 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OCC 9697057 IBXOBTUNVOXESA-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 16128252 DRLZPODLILZIAB-UHFFFAOYSA-N 445.422 4.630 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2cc(C)n(C)c2C)=C(/S)NCCc2ccccc2)cc1 22735588 ZBZPCZAZFGPYNZ-UHFFFAOYSA-O 434.629 4.653 30 10 IJEE C=CCc1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c(OC)c1 33417753 OQVZRNFTFXUXNX-RCCKNPSSSA-N 441.574 4.713 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2)c1 33431254 XFCHNFWKYLNXDR-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 34943183 IHGXZMQJNLJRRY-IBGZPJMESA-N 434.319 4.835 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCC)c1 40099163 TZXWNKDKNXJVFQ-LJQANCHMSA-N 426.538 4.703 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(OC)cc4)c3C)C2=O)cc1 41358094 HQRTXCGNDSCOIZ-UCQKPKSFSA-N 430.456 4.777 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1OC 41657730 HLUJTYMKXFMIDZ-MYKKPKGFSA-N 447.462 4.811 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3)n2)cc1 58996483 LGGOHTFYRNYXLA-LJGKHRNASA-N 438.557 4.504 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1nc2cc(Cl)ccc2s1 60059160 LVTNYBVYPKTZGM-UHFFFAOYSA-N 425.926 4.738 30 10 IJEE O=C1/C(=C/c2ccccc2Br)CNC/C1=C\c1ccccc1Br 64437746 SRIXJFUIIDOCNK-KAVGSWPWSA-N 433.143 4.851 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c1 71838983 CFPLDJNIQLTUII-UHFFFAOYSA-N 434.835 4.687 30 10 IJEE C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 108985705 RAPOAACJERSVOL-OAHLLOKOSA-N 435.915 4.603 30 10 IJEE C#Cc1cccc(NC(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(=S)[nH]c3c2)c1 139752318 DXKFIEXCTJFNBD-UHFFFAOYSA-N 425.513 4.899 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)c(C)c1 169906698 GUNYKXAWWDBDGW-LSHDLFTRSA-N 429.369 4.957 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 169962046 BUZNGRPXFPXPPM-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccs2)c1 169989298 WZEPEQBFEHLFHW-GOSISDBHSA-N 440.546 4.609 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170041360 SEKVPPQMZATVRB-NRFANRHFSA-N 437.879 4.980 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170054236 WPDLCWDBVNIDEL-SANMLTNESA-N 441.527 4.835 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 170059231 ZPZMUKPSWAABPQ-QHCPKHFHSA-N 432.907 4.833 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 170064650 OGQMMAWDZWNGLI-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccc(O)c2)cc1 170080127 IRVKXWPDTQNHAM-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccc2C)c1 170086496 ZNDNNJAMFVGAJA-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccco2)c1 170097975 QYQXVGRKJLOQQC-LJQANCHMSA-N 438.505 4.530 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccs1 170164238 JZFGBQIQGACGRX-INIZCTEOSA-N 426.321 4.670 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1cccnc1 170185422 JUGUWIQZAYBVEP-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccnc2)c1 170186199 QKNASZFNNBWMDE-QHCPKHFHSA-N 444.487 4.605 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccncc3)oc12 170198357 SYJGSBLDKBRXHQ-HXUWFJFHSA-N 446.484 4.676 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)ccc1Cl 170207990 QYFLOVQODAJWFS-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)c1C 170225837 VUXMEQJWDMFPFD-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1C(C)(C)C 170229793 MLKJGSWMEVYVRL-XXBNENTESA-N 449.547 4.750 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccc(F)cc1 170243368 HUUCFLLULRQZPK-SFHVURJKSA-N 432.289 4.885 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2F)cc1C 170250939 FVNWAFJJBQODKQ-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1c[nH]c2ccccc12 170255406 VBSPZUOPKNJXTR-JOCHJYFZSA-N 434.492 4.564 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)c1 170264342 WIQJQJUEAAMELB-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC(C)C)cc1 170265264 IDCOZJHAGPUTPZ-XDHUDOTRSA-N 449.547 4.576 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2C)cc1 170272542 AYCSODCILLNRGJ-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)cc1Cl 170274398 LJOREPUPAJTNEU-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccncc2)o1 170307858 OXLOOQRJILQBCT-HSZRJFAPSA-N 428.488 4.640 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1sccc1C 170317848 FDEGPFZOJBDEBM-HXUWFJFHSA-N 443.565 4.706 30 10 IJEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170406849 NIEXOPOUMBXGFJ-QFIPXVFZSA-N 431.444 4.605 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccc4c(c3)OCO4)cc1)C2=O 210090841 NJRXGRXBUJZHHZ-FOKLQQMPSA-N 430.412 4.649 30 10 IJEE CC(=NOCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1)c1ccc2c(c1)OCO2 254494495 CQSYCYPDAGFBAR-UHFFFAOYSA-N 437.492 4.630 30 10 IJEE COC(=O)/C=C1/SC(=Nc2cccc(SC)c2)N(c2cccc(SC)c2)C1=O 254745328 NBBLJCUYSGGNTL-DBOKLQOQSA-N 430.576 4.955 30 10 IJEE C=C([C@@H](NCC)c1cc(Br)ccc1I)C(F)(F)F 385618167 PKYAQJVRCFQNRP-LLVKDONJSA-N 434.037 4.823 30 10 IJEE C=C(C)C[C@H](C)C(=O)N1CCCN(C(=O)c2cccc(NC(=O)[C@H](C)CC(=C)C)c2)CC1 467115825 DQBIYSZGOVSYHP-RTWAWAEBSA-N 439.600 4.504 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 475552674 CPUZIHUGROSMQO-UHFFFAOYSA-N 434.584 4.940 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)cc1C#N 476568377 QQAFSXQTKUYEPH-UHFFFAOYSA-N 428.473 4.974 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(OC)c1OC1CCCC1 503461507 HGIXOVIOARTDMJ-UHFFFAOYSA-N 439.512 4.823 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508506197 PKIFUTJOKOOWMN-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCc3c(F)cccc32)nnc1-c1ccc(Cl)cc1 511602338 AJGKALKKAZKDRC-IBGZPJMESA-N 442.947 4.819 30 10 IJEE COc1cc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)cc(OC)c1OC 526821421 RRZORHBZPRTCRJ-QFEZKATASA-N 448.548 4.940 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccc(OC)c1 526831352 OJXJCIKTJCQTOX-QRVIBDJDSA-N 442.541 4.572 30 10 IJEE C=CCn1c(SCc2nnc(-c3ccccc3)n2C)nc2sc3c(c2c1=O)CCCC3 532616811 XOUHOMKPHJJMKN-UHFFFAOYSA-N 449.605 4.611 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3cccc4nccnc34)s2)c(C(F)(F)F)c1 543467315 BEZSNGNFPLVSAK-UHFFFAOYSA-N 439.422 4.820 30 10 IJEE COc1ccccc1COc1cccc(NC(=O)c2cc(C#N)c(SC)nc2O)c1C 551056875 NZPRALPZMLMMHO-UHFFFAOYSA-N 435.505 4.529 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 555254633 RRMYLCXAGMVADG-UHFFFAOYSA-N 444.579 4.883 30 10 IJEE C=CCCN(c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586258758 YFSPELSFIXTFSU-UHFFFAOYSA-N 430.751 4.883 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCc2cc(Br)ccc21 700617582 ZSIPBEVSWAYTIB-OAQYLSRUSA-N 436.394 4.693 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 733200680 HJGGYEBXZPUBHU-LJQANCHMSA-N 425.941 4.632 30 10 IJEE C/C(=C/C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)c1ccccc1C(F)(F)F 741920679 TULVJJCUQZMFMA-LMICACPXSA-N 445.466 4.521 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C)cc2C)cc1C#N 747313568 DCJXOCPPMQKXOX-UHFFFAOYSA-N 443.482 4.890 30 10 IJEE COC[C@H](NC(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 752857070 PIYGFPCGMFVWLG-MXYBEHONSA-N 430.364 4.722 30 10 IJEE COc1ccc(/C=C(/C)C(=O)[C@@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F 755603565 VSPDVOCCRDMMKI-LPYTZGJOSA-N 430.863 4.556 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 805782395 KLMLFZOIVRECQJ-HYBUGGRVSA-N 425.532 4.934 30 10 IJEE C=CCc1ccc(OC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c(OC)c1 916040163 YMXMZVMWCHCYFZ-UHFFFAOYSA-N 445.441 4.788 30 10 IJEE Cc1cc(I)ccc1N=Cc1cc(Br)c(N(C)C)o1 1084379192 FWIHWKDUEBQJDQ-UHFFFAOYSA-N 433.087 4.772 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCc2ccccc2)C1 1122016681 YUWGDXFGQVBIFC-JOCHJYFZSA-N 425.536 4.517 30 10 IJEE N#C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CCN1Cc1ccccc1 1126036201 COYPFDYZQUISRX-GOSISDBHSA-N 439.437 4.816 30 10 IJEE C=CCOc1ccc(OC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)cc1 1126449696 BHDOHDBDPWHJKT-UHFFFAOYSA-N 439.309 4.908 30 10 IJEE Cc1noc(Cc2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc2)n1 1134587633 GESKNLDNGNUCBD-UHFFFAOYSA-N 449.942 4.739 30 10 IJEE CC(C)[C@H](C#N)N1CCN(C(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CC1 1136574824 DJMBBCLQRTYKSJ-NRFANRHFSA-N 438.641 4.872 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 1136718674 ASBLKEBTZJQJQX-QGZVFWFLSA-N 441.576 4.753 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C 1138258954 VBUFXPWLWXCHCH-QFIPXVFZSA-N 438.524 4.595 30 10 IJEE C#CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)C1CCCCC1 1142868869 BFEBSJLMCDEWQX-OAQYLSRUSA-N 428.573 4.836 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1158669761 JTFIORYBHABCLT-XYSIDCHVSA-N 434.602 4.899 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC2CCCCC2)C(C)C)nc2sc3c(c2c1=O)CCC3 1164588211 SOCOOVNAKGLVEW-IBGZPJMESA-N 445.654 4.698 30 10 IJEE C=CCc1cc(CNCc2ccc(I)cc2Cl)cc(OC)c1O 1178550157 XWLAFUPAYWIMTJ-UHFFFAOYSA-N 443.712 4.677 30 10 IJEE COc1cc(OC)c(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1Br 1203696849 BJQMAEINJJXWIC-MRXNPFEDSA-N 430.302 4.537 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@H](c4cccc(Br)c4)C3)cc2n1 1220157443 JZHYFDUODYIRGN-FQEVSTJZSA-N 441.329 4.590 30 10 IJEE CC(C)C[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccccc1 1220747307 DCIVAIBHHYQFAO-QHCPKHFHSA-N 442.567 4.567 30 10 IJEE C=CCN(C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H](C)COC 1221209729 RZPHZJSPPQZTED-YWZLYKJASA-N 435.337 4.910 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1251830597 IPGOOWBCHMOBNR-LEWJYISDSA-N 429.605 4.899 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1251830598 IPGOOWBCHMOBNR-NHCUHLMSSA-N 429.605 4.899 30 10 IJEE C=CC[C@H](CC)NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1270621823 CAHGQIFYOHSFSJ-HNNXBMFYSA-N 446.473 4.905 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(Oc2cnccn2)c1 1275388992 BIFWHPYSNKKTAL-UHFFFAOYSA-N 426.270 4.849 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCSC[C@H]1C 1286338592 DNBPZKCUMAEBEI-CYBMUJFWSA-N 439.810 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC2(CCCCC2)O1 1286418313 HBZKIRMATGGUKY-JOCHJYFZSA-N 436.987 4.943 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccsc1 1286505699 KEGJEXMTHAPOAY-FQEVSTJZSA-N 426.586 4.777 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCOC[C@@H](C2CCC2)C1 1286635979 HTEHBWGSQSDBLJ-SFHVURJKSA-N 449.020 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286674826 WKEITJVBLISGDB-FQEVSTJZSA-N 445.652 4.964 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286694668 XAMNHQIPVOECTG-ZWKOTPCHSA-N 446.437 4.901 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1286701478 VXBURXMAQPMKGT-RBUKOAKNSA-N 434.588 4.514 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1c(C)noc1C 1286742052 NDKWTAAAXFTMPV-QGZVFWFLSA-N 441.539 4.746 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1Cc1nc(C)cs1 1286747451 MGBLYMDSCJMJLY-UHFFFAOYSA-N 434.544 4.793 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CCc1nccc(C(F)(F)F)n1 1286748617 XXABIAKVIDRLGB-UHFFFAOYSA-N 446.452 4.539 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCS1 1286759625 DWBROCLMZXAOIC-GOSISDBHSA-N 449.418 4.694 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1286771034 UAHGLDPXJPUWCK-SFTDATJTSA-N 441.595 4.692 30 10 IJEE C=CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(CC)cc1 1286836388 MCPZNSFWRXQBDD-GOSISDBHSA-N 430.528 4.947 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1300342096 NUUWGFFCXWDKAE-UHFFFAOYSA-N 430.600 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1300900875 JHVDCGPXUDFUIL-DENIHFKCSA-N 440.579 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1ccc(C)nc1 1300907959 WFJVHIJAJIZAQE-UHFFFAOYSA-N 426.362 4.862 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1300958560 HCTCSBJAQOFGKY-FQEVSTJZSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1301114278 MWOISQMVRUHVIZ-FPOVZHCZSA-N 429.996 4.847 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2OCCC2(C)C)CC1 1301119583 OOBFRUUMHUVGPA-JOCHJYFZSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nccs2)C1 1301143619 LPSLLNIBBLNZTF-INIZCTEOSA-N 444.992 4.630 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301145976 NUNGKBJRIMBTRP-IBGZPJMESA-N 441.595 4.675 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 1301165999 NXTPMKHKHRFHSL-OFNKIYASSA-N 449.643 4.894 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cscn1 1301206631 HQCGGFDXEAWCLC-UHFFFAOYSA-N 448.390 4.775 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301214551 CHLPVAIKQYWNSG-JTHBVZDNSA-N 432.616 4.739 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 1301239717 RWWKXTPBSZIRSG-GOSISDBHSA-N 425.602 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(F)F)cc1 1301379279 FGIOBCDOMNWHEY-UHFFFAOYSA-N 431.874 4.822 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)C[C@H](C)C2)cc1 1301527116 UOYHQYQJILWQED-ROUUACIJSA-N 437.613 4.729 30 10 IJEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 1305604081 CCNRCOKYJJLTTE-GCJKJVERSA-N 434.613 4.950 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)OC 1305686557 HGXPJTZKLAUNJF-GOSISDBHSA-N 435.494 4.801 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1F 1312936658 JHDDMBAXHLJQJQ-CVDCTZTESA-N 449.954 4.586 30 10 IJEE C=CCO[C@H]1CCN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 1320184996 CABYIEKVEBUMRO-GJPUVDBCSA-N 449.532 4.939 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)CCc3ccc(Br)cc3)s2)cc1 1349631441 ACYWLJAEKCAQKQ-UHFFFAOYSA-N 426.339 4.939 30 10 IJEE CCc1c(C)sc(NC(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)c1C#N 1352441733 GFOJNNGRJLSSEQ-IBGZPJMESA-N 443.569 4.574 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)Cn2c(-c3ccccc3)c(C)sc2=O)c1 1358007604 SBVUXFIYIDAFDY-UHFFFAOYSA-N 428.513 4.693 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)c1nc(C)cs1 1359015379 RLLZXTXEFVUSJI-MRXNPFEDSA-N 425.577 4.923 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)C1 1359077915 OFZDHMYOLPFRSX-VQCLRJIVSA-N 441.320 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cc(C)nn1C 1359108662 XQTCQMSOLCMGEA-UHFFFAOYSA-N 447.612 4.870 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1)c1ccccc1 1359196018 VYXWGDDGFOOIEM-YADHBBJMSA-N 437.632 4.722 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(CCC)C(=O)C1 1359210703 DQFVWYMQSNNBFJ-UHFFFAOYSA-N 436.387 4.667 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1Cc1ccc(CC)s1 1359257320 HIMDAEJFEDENLA-JOCHJYFZSA-N 433.581 4.866 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCO[C@@H](C)C1 1359279195 WYQANQMZRUKYPO-GBESFXJTSA-N 444.645 4.585 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(Cl)cc2OC)C1 1359324152 DSUZIBYKVWWVEX-FQEVSTJZSA-N 430.980 4.502 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CC(F)(F)C1 1359344005 IKXNINXURAOTRR-UHFFFAOYSA-N 428.499 4.548 30 10 IJEE C#CCN(C(=O)c1ccc2scnc2c1)[C@H]1CCOc2ccc(Br)cc21 1360311024 OLXLUSWKAQFWQF-KRWDZBQOSA-N 427.323 4.658 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)C3(c4cc(F)cc(F)c4)CCCC3)CC2)c1 1360377225 BIWSWJDDAMUADU-UHFFFAOYSA-N 437.490 4.526 30 10 IJEE CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1435866675 DSXZGWSTDIFFJC-FQEVSTJZSA-N 445.544 4.611 30 10 IJEE N#Cc1cccc(C2(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4Cl)CC3)CC2)c1 1436189805 CBUMTFWFTKQGBN-UHFFFAOYSA-N 433.861 4.611 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3cc(C(F)(F)F)n[nH]3)s2)c(C(F)(F)F)c1 1441724796 DJNWNRWXNAFNTJ-UHFFFAOYSA-N 445.348 4.619 30 10 IJEE CC#CC[C@H](CO)NC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1 1452867708 YCYLZLHYBHZMSY-YMLINEMLSA-N 431.557 4.758 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1)c1ccc(Cl)cc1 1465790892 VUCXXEJJCVSYSR-FQEVSTJZSA-N 448.910 4.691 30 10 IJEE C#CCN(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCCc2ccccc21 1469775077 ATFKFEXWLDXACO-CMTIAEDTSA-N 434.555 4.622 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 1470490918 SMAZXZBZVOFIOV-VABKMULXSA-N 437.540 4.597 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(Cl)cc1 1470663637 VDXVNBRVSCSBOY-QUCCMNQESA-N 425.964 4.769 30 10 IJEE C#CCN(C(=O)CCCc1ccc(SC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882299 XUEGSPJBJFSPFE-UHFFFAOYSA-N 430.614 4.593 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=[S@@](C)(=O)CC 1471987029 SHSBUBNAKSARKJ-UVDDSOTQSA-N 440.565 4.504 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C(C)C)N2CCCC2)cc1 1492435872 BZGKQOHUXQHPEH-UNMCSNQZSA-N 440.661 4.738 30 10 IJEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCC1CC(OC(C)(C)C)C1 1503489957 DMBRFUNJJFBAHH-UHFFFAOYSA-N 444.583 4.832 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]2CCC[C@H]21 1507758001 FXRBNBGGYGNFRQ-RBUKOAKNSA-N 442.654 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1507798148 NFPREUTZRMQKTE-OFNKIYASSA-N 441.576 4.781 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507827313 HFWWDMHICBJPRW-RXVVDRJESA-N 439.604 4.823 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1507838733 HHZBTQFBBIRCLT-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cc(C(C)(C)C)no2)CC1 1507886031 UUSNYXKKAKHVHO-UHFFFAOYSA-N 427.499 4.637 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1507887181 ACOOUAQWWMMTOE-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCCCCO)CC1 1507887682 FDDXONQMQOLWTC-UHFFFAOYSA-N 439.387 4.873 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCCC[C@@H]2CC)CC1 1507889428 VHJVZWISJYDDEO-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1507905201 SCNDNNNGDISOGW-UHFFFAOYSA-N 441.501 4.928 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(F)F)C1 1507910892 GCIYBGBYFKIORH-KRWDZBQOSA-N 432.515 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(C(C)C)CC1 1507913375 YMOOFSKUCROSJV-UHFFFAOYSA-N 447.631 4.858 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCN(C)[C@H](C)CC)C1CC1 1507989285 ZALCTUFJLGYZOD-CQSZACIVSA-N 438.439 4.654 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 1520813263 YOPMJROOHWKOCF-LJQANCHMSA-N 432.442 4.916 30 10 IJEE Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)nn1 1521544601 GPTKCSFMBFNDOB-UHFFFAOYSA-N 429.480 4.990 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1 1524999088 DFSVROXUIUBXAW-UHFFFAOYSA-N 436.512 4.688 30 10 IJEE CC[C@@](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)(C(=O)OC)c1ccccc1 1525258854 AOEMNRFSKLOKOE-SANMLTNESA-N 446.478 4.740 30 10 IJEE Cc1nc(SCC(=O)Nc2nc3cc(Cl)c(Cl)cc3n2C)c(C#N)c(C)c1C 1528702684 BEKDSOVVNUPIBZ-UHFFFAOYSA-N 434.352 4.803 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)C(F)(F)F)cc1 1532559184 QKGKVKYVIKPCSR-FQEVSTJZSA-N 449.425 4.852 30 10 IJEE Cc1c(C#N)c(NC(=O)CC(C)(C)NC(=O)OCc2ccccc2)n(-c2ccccc2)c1C 1533610985 HUPJPRLSSQZRMO-UHFFFAOYSA-N 444.535 4.999 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(Br)ncc2Br)cc1 1537417148 YPZAHCTWTBBVFE-UHFFFAOYSA-N 441.144 4.689 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(CCOC)CCCCC1 1539021954 FVGBBHXZPRQGKX-FQEVSTJZSA-N 433.600 4.795 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cccnc1SCc1c(C)noc1C)c1ccccc1 1539187423 XDQIVLOENUJOEX-LJAQVGFWSA-N 427.551 4.832 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CC 1539351535 YEYLZACKPQXJTO-FQEVSTJZSA-N 425.646 4.609 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 1539801946 MEMRDKAGBCGAGC-SFHVURJKSA-N 436.000 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)cc1 1539912885 VVTBKQFEEVRYGJ-UHFFFAOYSA-N 441.377 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1 1539928772 IALWQKAXLIGHOD-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1540048990 DVDAGVICXITAQH-LJQANCHMSA-N 439.604 4.626 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1540119840 LGEMUOUHYKLUNA-KBMIEXCESA-N 435.955 4.833 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCOc1ccccc1C 1540146358 DPRLIMMKBVTSBK-HXUWFJFHSA-N 438.597 4.814 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2C[C@@H](F)c2ccc(Br)cc2)C1 1540882927 QPENFDVDVBFRNW-ZWKOTPCHSA-N 437.357 4.656 30 10 IJEE C=CCSCCn1c(N2CCC(CCN3CCCC[C@H]3C)CC2)nnc1C(C)(C)C 1540922145 FMWKQJBNFVLHJM-HXUWFJFHSA-N 433.710 4.976 30 10 IJEE C=CCOc1cccc(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1543745460 CTMXFJOVBKAILY-UHFFFAOYSA-N 428.488 4.729 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)cc1OC 1544182147 RVFVPYFYADVGFF-PKNBQFBNSA-N 441.531 4.870 30 10 IJEE C=CC1(CC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)CN(C(=O)OC(C)(C)C)C1 1545086563 QZPVJCVAUOQUBL-UHFFFAOYSA-N 438.568 4.973 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(O)CCCc3ccccc32)cc1OCC 1560325852 ANYNMCPNHBBEFH-QHCPKHFHSA-N 446.385 4.726 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C 1564719638 LGVBNFBTHUVFEF-KKSFZXQISA-N 448.380 4.977 30 10 IJEE C#CCN(C(=O)c1ccc2ccccc2c1O)[C@H]1CCOc2ccc(Br)cc21 1565764699 VOQHPELCJRMJEZ-FQEVSTJZSA-N 436.305 4.907 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 1583700462 NOKYJAOPKBWODZ-WXFUMESZSA-N 431.605 4.662 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1587599493 OFHJEKSFVXAPQF-CGTJXYLNSA-N 429.996 4.681 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1587718378 DUYWSHYSPAKQBZ-HZPDHXFCSA-N 433.419 4.841 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](COC)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1587764414 DCLHVRNCGWPBDV-JPYJTQIMSA-N 436.980 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C(C)C)N1CCCC1 1588280008 DINBDSQVWFSEPO-OAQYLSRUSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1sccc1Br 1588309708 ARMGRXMGKNWYAH-UHFFFAOYSA-N 440.370 4.758 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C2CC2)C1 1589116715 LLIOUIUXDNJEPW-HXUWFJFHSA-N 438.641 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N(CC)CC 1589178116 RPIPHEWLHYKPJK-OPAMFIHVSA-N 434.415 4.974 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cccs1 1589347458 OTCLIBDYPUEKLX-UHFFFAOYSA-N 438.782 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CC)Cc1c(F)cccc1F 1589515835 SLDTZMLNHUDMFG-XMSQKQJNSA-N 439.510 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCc1ccccc1OC 1589547991 XHURHKOEUYGQFV-OFNKIYASSA-N 426.605 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1cc(C)nc(N2CCCC2)c1 1589636683 CQWRYZHOGQYFAT-UHFFFAOYSA-N 446.599 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCc1ccc(Cl)c(OC)c1 1589675883 IBSUGDGIKSUDSB-UHFFFAOYSA-N 446.020 4.941 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1593729670 MPJRKSKNTZYXPI-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1594552067 GOTLSTJIFJCZQX-QFIPXVFZSA-N 446.624 4.969 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCC2CC2)C1 1594573788 YCSRMAFQGDTWHN-SFHVURJKSA-N 448.409 4.787 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1coc(-c2cccs2)n1 1594857132 JBMWOJXMYASZDZ-HNNXBMFYSA-N 439.516 4.944 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1595065019 GTFLPOHUZUMBSD-QHCPKHFHSA-N 430.980 4.607 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1ncc(C)s1 1595261624 SYAMVQLYWPRORI-XLIONFOSSA-N 441.601 4.916 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)CCCN1C(=O)OC(C)(C)C 1598508025 TZGRKGQUTSDVCD-MHECFPHRSA-N 430.545 4.565 30 10 IJEE C=CC[C@H](NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccncc1 1628149487 YMJUZTMVCAARBJ-FPOVZHCZSA-N 438.572 4.929 30 10 IJEE C=CC1(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)CN(C(=O)OC(C)(C)C)C1 1629149734 XUOYJICCEHWFQV-UHFFFAOYSA-N 441.553 4.752 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 1632367171 ICZHPIQXQUWZOY-KDOFPFPSSA-N 444.457 4.524 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@H](C)CCc2ccc(I)cc2)C1 1634918672 LSPSVISXCYLHDU-NVXWUHKLSA-N 426.342 4.610 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 1635739037 VXSWXRQFZWVOOM-UHFFFAOYSA-N 435.902 4.507 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C)c1ccc(Cl)cc1F 1636313310 WRZFBXBPAGKEJZ-VQTJNVASSA-N 430.907 4.844 30 10 IJEE C=CCC(C)(C)CNC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1636407964 XAENLLKKPJYQHU-UHFFFAOYSA-N 428.598 4.607 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 1638986635 HNTIZHJLPDSFOV-QFIPXVFZSA-N 438.524 4.544 30 10 IJEE COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 1642499666 HWUNDPVRFGHPSZ-MOPGFXCFSA-N 429.520 4.824 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3sccc3[C@H]2c2ccc(Cl)cc2)c1 1647798707 OQAAFLTZFDEDIM-HSZRJFAPSA-N 449.963 4.679 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cn(CC2CC2)c(CC)n1)c1ccc(C(F)(F)F)cc1 1654701990 BGXTXIYFEZFLSD-SFHVURJKSA-N 441.519 4.860 30 10 IJEE CCN(CCc1cccs1)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 1657080694 HZTDTVUXWRWVQD-UHFFFAOYSA-N 432.593 4.792 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)cc1 1658659106 LZBGYOHMMRAGLH-HHHXNRCGSA-N 446.595 4.535 30 10 IJEE COc1cc(CN(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)ccc1C#N 1659598209 FYQJNPULVWAPIY-FQEVSTJZSA-N 429.358 4.819 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1 1667540067 CZTWKVOHXLHORC-GHTZIAJQSA-N 437.540 4.969 30 10 IJEE CC(C)(c1ccccc1)c1nnc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)s1 1668305473 AKVFBNKUCLYKLV-UHFFFAOYSA-N 446.580 4.526 30 10 IJEE CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1672083447 DIDPENHNLVQGAM-JOCHJYFZSA-N 435.572 4.649 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 1680032908 GXMGHLOXVJDUES-OAHLLOKOSA-N 435.337 4.926 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 1681546601 NMWJGSGAXJXKHQ-PKTZIBPZSA-N 441.522 4.853 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)cc1 1682560527 VFOXSDFWUDDCAR-DCLXLUIPSA-N 448.563 4.964 30 10 IJEE N#Cc1ccc(CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C2CC2)cc1 1684208226 FWNJECSFZCPPIW-UHFFFAOYSA-N 434.284 4.787 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 1686332809 NBJXYGKRCZBATC-LJQANCHMSA-N 429.351 4.842 30 10 IJEE C#C[C@H](NC(=O)N1CC(Cc2ccccc2OC(F)(F)F)C1)c1ccc(Cl)cc1F 1686922801 QMLWNWVAAWNWEE-SFHVURJKSA-N 440.824 4.936 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(N(C)C)CCCCC1 1689830688 BRYGCNZLZXGBNH-HXUWFJFHSA-N 430.600 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H](F)c1ccc(Br)cc1 1689856470 QYIQULLUXJAXGE-KDOFPFPSSA-N 447.377 4.862 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(CC)CCOCC1 1689862745 FZJWMPATFHUDFD-NRFANRHFSA-N 438.616 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ncc(CC)s1 1690032450 BPJLUPRGWUDJPW-FQEVSTJZSA-N 447.608 4.565 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1690058737 AAWUGENJRGOZHA-IBGZPJMESA-N 433.531 4.534 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC(=C)Br 1690088056 AATGNYVERZKDGB-UHFFFAOYSA-N 429.293 4.534 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)Cc1cccs1 1690098228 ALAQKXZDXQCDPW-LJQANCHMSA-N 445.592 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)c1ncc(C)s1 1690212364 JMIHVGQRJUEJOX-HOYKHHGWSA-N 435.597 4.726 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(F)F)C1 1690224313 JQWMMOQVSVHZOH-GFCCVEGCSA-N 431.712 4.989 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCO[C@H](C)C1 1690271398 NVVIGXRGZJQIGV-RTBURBONSA-N 430.618 4.797 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1690305038 VFAOTZZMPKFCIG-LPHOPBHVSA-N 431.378 4.679 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1690335729 HXHRUJALHVCOBU-HNNXBMFYSA-N 425.335 4.743 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N2CCCCCC2)CC1 1690366160 RVYJKWXCOXFAAU-UHFFFAOYSA-N 427.980 4.548 30 10 IJEE C=CCCCCn1c(N2CCc3c(F)ccc(F)c3C2)nnc1[C@]1(OC(C)C)CCOC1 1690467858 KWPBHLQXEQYUAF-DEOSSOPVSA-N 446.542 4.516 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cccs2)CC1 1690474041 PIFUPMNAUBWVRE-UHFFFAOYSA-N 445.539 4.901 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)OC 1690575841 CJRQOHWSKBYFSY-HNNXBMFYSA-N 432.977 4.896 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(OCCC(C)C)CC1 1690655138 IITLRRZIMRKCCZ-FQEVSTJZSA-N 447.624 4.568 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)CC(C)(C)C1 1690683247 FTNRZWUOXMOHEI-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1705518068 DYPDGOMKPKNJBZ-INIZCTEOSA-N 442.658 4.962 30 10 IJEE C#CCCCCn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1cccn1C 1705521740 KIIXIRXSKVDEAT-DYESRHJHSA-N 425.964 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@H](C)Oc1cccc(Cl)c1 1705708178 YUIXCPQHNFDFQV-FTRWYGJKSA-N 442.951 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1705765627 VGQUFDSEFKYSSW-IBGZPJMESA-N 429.012 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705793627 DXKQYLJOVMAPSA-RUZDIDTESA-N 426.580 4.850 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@H](CC)C1)c1ccccc1 1705797724 BDGCLBBSWLXNLW-AGILITTLSA-N 431.584 4.628 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCC1(OC)CCC1 1705870681 NUUIZFKLHZGOHS-UHFFFAOYSA-N 431.378 4.845 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1705889085 KETKCMBBKFLXQU-MRXNPFEDSA-N 445.995 4.914 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1706943808 BBZKMCVKLHBKSL-INIZCTEOSA-N 445.409 4.992 30 10 IJEE CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1708794084 HXXOXDBQNNQXND-SIKLNZKXSA-N 441.551 4.646 30 10 IJEE CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1708875639 DRCRUEYXGVFFQX-XMMPIXPASA-N 438.551 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)Cc1cccs1 1722291977 LWHGVFLHLQANSM-MSOLQXFVSA-N 431.565 4.998 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCCC[C@@H](COC)C1 1722322499 MLXXJQVIZCIVHM-OAQYLSRUSA-N 426.630 4.935 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H]1CCCN1C1CCCCC1 1722417256 BBQLDTSOTOSUHZ-XMMPIXPASA-N 437.607 4.978 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCSC1 1722495876 IHIXTTMUAAKQBL-SYNHAJSKSA-N 449.020 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(O)c1 1722517015 JXKKSFVJBNMADF-FQEVSTJZSA-N 441.576 4.506 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722590141 ANTXTMAPWJQGAH-QFIPXVFZSA-N 437.632 4.718 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1724580545 HYHMEYWJLJWCKF-RXFWQSSRSA-N 434.632 4.894 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)CC(C)(C)C1 1726666180 GYZAMZANVUWGCR-KRWDZBQOSA-N 448.537 4.573 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1726964331 BZPHZRVNAXXZRF-JXQFQVJHSA-N 444.624 4.569 30 10 IJEE CCc1nc(C)c(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)o1 1727449263 BXVYCHWWFATBCQ-CPJSRVTESA-N 432.572 4.857 30 10 IJEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1740592755 GXFPYBJJPIJGGC-IBGZPJMESA-N 434.613 4.641 30 10 IJEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1740593046 QIVLLFKCNYMTMX-FQEVSTJZSA-N 434.613 4.641 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1csc([C@H](C)OC)n1 1740677743 ZYBCBRASDBTGAT-INIZCTEOSA-N 439.560 4.537 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740719700 QDQQNANGDQYWNV-HXUWFJFHSA-N 447.048 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(Br)n1 1740770384 QGHNBQJLCOEMSW-UHFFFAOYSA-N 447.768 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(SC)cc1 1740775742 IURIKQFEJFUWEK-UHFFFAOYSA-N 446.624 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCC[C@H](C)C1 1740777044 KSKVAUBAXAVTGO-VQTJNVASSA-N 429.584 4.519 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1740834057 HQYOVNDGUBNYKR-UHFFFAOYSA-N 425.646 4.580 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCN(CCC)CC2)CC1 1740841786 AKDJFHQDAMLAMY-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1740846959 RWQWMKYHKSEMJP-QUCCMNQESA-N 439.604 4.897 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740861340 JPZBWOQVVHOLNF-NRFANRHFSA-N 425.964 4.871 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1740873551 CFBPGFNBURZSKI-FCHUYYIVSA-N 428.552 4.575 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCc1cccc(C)n1 1740894131 JRZQPIPZGFTNRV-UHFFFAOYSA-N 426.362 4.666 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1csc(CC)n1 1740903991 SXWRNHYHVUDQGC-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)C)C1CC1 1740910231 ARDSXUAMVDDRRT-LJQANCHMSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@@H](C)N1CCCCC1 1740921585 ATHZBYGOSRUNGC-HXUWFJFHSA-N 438.645 4.802 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1741771326 FWVYRRYMJDMAQB-GBESFXJTSA-N 433.478 4.581 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCC(F)(F)C1 1741801493 CSQJOWFCWXBIOJ-HLIPFELVSA-N 445.514 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)OCC 1748651381 LPVWXFSVQZZDCN-ZDUSSCGKSA-N 439.785 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCC(C(F)(F)F)CC1 1748658826 YHCMHCSFKGIFPO-HPUBIQBYSA-N 434.462 4.500 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749043028 CHUDMHPWISCKES-HXUWFJFHSA-N 426.630 4.713 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 1749270933 LLQFQCGUPHRXJT-UHFFFAOYSA-N 446.933 4.500 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1749331365 YXVMOOCREDPLBO-GJZGRUSLSA-N 448.409 4.642 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1749474535 XYYLLBIMVQKVGN-HXUWFJFHSA-N 439.604 4.777 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1c(CC)noc1C)C1CC1 1749511635 MIRWSINNEFRNDK-UHFFFAOYSA-N 427.936 4.669 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1Cc1ccc(Cl)s1 1749532586 XTTHNEYQHPSJHE-UHFFFAOYSA-N 447.955 4.563 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC=C(C)C1)C(C)C 1749557691 LVFQRXFSEUINOB-XMMPIXPASA-N 430.600 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@@H](c1cccs1)N1CCOCC1 1749565232 JAXJRWUIOGMUPA-QFIPXVFZSA-N 449.624 4.567 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCN1CCCC(C)(C)C1 1749566016 UZJUJOHQLXJAIV-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)Cc1cc(Cl)ccn1 1749690053 MCHKMKAZQITMNY-UHFFFAOYSA-N 448.958 4.582 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1752066639 FTUUXPRUIHAVKA-NFBKMPQASA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(F)c1 1760103712 KSFABOAFUASAHV-ZDUSSCGKSA-N 433.350 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1ccc(Cl)s1 1760125593 ROHPELYSGDFNRN-AWEZNQCLSA-N 433.002 4.800 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)C)C1 1760131407 ROTDEYRFUFCXPG-GHTZIAJQSA-N 430.980 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCC1CC(OC(C)(C)C)C1 1760223694 IIVQZXHTAGCZGE-UHFFFAOYSA-N 448.611 4.612 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC[C@@H]1C 1760244634 BOOFEVFRRSQXNN-AZUAARDMSA-N 426.630 4.798 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)=C(C)C1 1760310752 MEXZUQFGIPQBOW-UHFFFAOYSA-N 426.362 4.736 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760343774 SILWVAABQRMFAP-KDOFPFPSSA-N 449.958 4.663 30 10 IJEE C=C(Cn1c(-c2cccn2C)nnc1N1CCC(C)=C(Br)C1)c1ccccc1 1760362278 FZCMIDZZQWIMAO-UHFFFAOYSA-N 438.373 4.876 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCc2oncc2C1 1760378828 YMPKPKJAIRWULE-UHFFFAOYSA-N 427.936 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCOC1 1760409351 RUDRKTUOUMLIED-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1760413167 ZMLRPBNDEDFHMY-UWJYYQICSA-N 446.542 4.631 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1Cc1nc(C(C)C)cs1 1760482192 RZBXOTPNLIONGP-OAQYLSRUSA-N 448.596 4.822 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C)c(OC)c1 1760501398 OUWVKIZTPLXGED-QFIPXVFZSA-N 436.556 4.713 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1761372990 CFNWBXGGZGQIHL-LJQANCHMSA-N 448.640 4.678 30 10 IJEE CCC(CC)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1)SC 1762120247 FKVKUNJQQJAQPH-IERDGZPVSA-N 449.571 4.921 30 10 IJEE CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1 1762812314 GRPZYIJMHUCVRD-SFHVURJKSA-N 440.661 4.602 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCSCC2)CCCCC1 1763669329 FLOJSYHQKAMTLA-REWPJTCUSA-N 444.693 4.673 30 10 IJEE CCCC1(Cn2c(CC)nnc2N2CCN(c3ccc(C#N)cc3Cl)CC2)CCC1 1765607841 IELBWAMQBZTPRL-UHFFFAOYSA-N 426.996 4.663 30 10 IJEE CO[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 1769674087 FTLCJAGBMOUYET-ZJSXRUAMSA-N 425.552 4.668 30 10 IJEE COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(Br)c(C)c3)nc2c1 1858204873 YJEIWVURWRIORH-UHFFFAOYSA-N 442.338 4.917 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)c1ccccc1 1861886561 MVCMTFZHNPZZAJ-QHCPKHFHSA-N 448.954 4.506 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862423320 ZOTRTNTZBDNBEB-NRFANRHFSA-N 443.446 4.525 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccccc1C(=O)O)c1cccc(O)c1 1862598718 YQEJSYJATMDLPJ-JOCHJYFZSA-N 449.503 4.782 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCCO)c1 1862649209 SFXWEHDRZBHSFP-XMMPIXPASA-N 429.516 4.889 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H](C)O)cc1 1862651393 RSRAXNDUTFEBLF-XDHUDOTRSA-N 429.516 4.922 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862674087 JHMSPRYTXMFIQL-HSZRJFAPSA-N 431.463 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2C)cc1 1862687635 NJYORZLJHAQNRK-QFIPXVFZSA-N 433.529 4.886 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C(=O)O)cc1 1862690970 GWEKYCDWNVFARQ-RBQRDFNRSA-N 449.503 4.550 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 1862738478 CBRIOOPMWLTVRB-FQEVSTJZSA-N 442.418 4.784 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(F)c1 1862748936 MKTDYKUXWAXMDF-FQEVSTJZSA-N 426.444 4.893 30 10 IJEE CCOc1ccccc1NC1=C(c2cc(C)ccc2C)C(=O)N(c2ccccc2C#N)C1=O 1863037114 XDFOUDRABGDLOE-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CC(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 1866969784 SKJSFANNTXXQJT-RPBOFIJWSA-N 443.522 4.803 30 10 IJEE C=CCN(CC=C)c1cc(N(C(=O)OC(C)(C)C)C2CCNCC2)nc(-c2ccccc2)n1 1867970572 ZATXYAITRBSPRA-UHFFFAOYSA-N 449.599 4.816 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868266889 DDZAJMTVJNRPMG-OAQYLSRUSA-N 449.942 4.512 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)CCCOc1ccc2ccccc2c1 1870106139 YTDSAEXADWGTHR-UHFFFAOYSA-N 445.910 4.802 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2)cc1 1870144767 LKAGSRJPBQPXMT-UHFFFAOYSA-N 437.503 4.912 30 10 IJEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCOCC1 1870691676 LCCYACYNGHWQIB-UHFFFAOYSA-N 426.601 4.663 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(CCc2nc4ccccc4[nH]2)CO3)C1=O 1871349029 NWEWLWYUUMSMPI-MTJSOVHGSA-N 443.528 4.944 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCN(C)C)C4)C2=O)cc1 1871355047 ORAAJVLIFKYGIL-UCQKPKSFSA-N 436.552 4.504 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)ccc3C2=O)c1 1871433981 MCEMDBMLBXHMCY-NYAPKIOYSA-N 445.427 4.965 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674477 UTCOKHPSGNUZQG-UHFFFAOYSA-N 427.483 4.571 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)cc1 1874292671 FYSZSKZCPNHPOY-CVKSISIWSA-N 445.548 4.744 30 10 IJEE Cc1cccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)c1 1874383698 INNYIOCTRROUSI-AFUMVMLFSA-N 446.532 4.751 30 10 IJEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)ccc1O 1874446026 QTMUOSJLSDKXCM-FINLKQIMSA-N 438.553 4.635 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C2CCCC2)cc1 1874452164 HIZXNMIVABCZHB-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE COCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccc(Br)c1 1874472202 RCHWKDORSBUMRT-LPYMAVHISA-N 445.386 4.712 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)cc1 1874473709 SUVNDKYOFHFBKZ-PCLIKHOPSA-N 432.549 4.803 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C(C)(C)C)cc1 1874482617 ISYUPOWNIOKTDE-ZVHZXABRSA-N 437.569 4.506 30 10 IJEE CCCOc1cccc(/C=N/n2c(C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)c1 1874530484 LPZZOHVNDNXCST-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)c([N+](=O)[O-])c1)c1ccccc1 1874614713 PWJDIARHUOJQDN-ZRDIBKRKSA-N 427.416 4.719 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)cc1OC 1875099607 PSUFJKWMBVIMJD-RMKNXTFCSA-N 427.453 4.850 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1C 1875147148 QPLATLDNUXGOOA-IZZDOVSWSA-N 444.483 4.955 30 10 IJEE COCCOCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1875156344 VSKUXWYCSOSOEX-BJMVGYQFSA-N 446.927 4.937 30 10 IJEE Cc1cc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)ccc1Cl 1892138174 ZDIHFJKYUBHIME-SFTDATJTSA-N 427.957 4.552 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1922069175 OQCOWZBMTNWJCL-NKKJXINNSA-N 440.584 4.585 30 10 IJEE C=C[C@@H](C)Nc1cc(Br)c(I)c(Br)c1 1931651812 WBMDUUVFDGGQCO-ZCFIWIBFSA-N 430.909 4.803 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1949122200 JOCWSQUSLPZDKE-IIBYNOLFSA-N 436.557 4.901 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CC(C)(C)[C@@H]1OCc1ccccc1 1950375297 RGRXAILJDFLECY-OFVILXPXSA-N 429.605 4.843 30 10 IJEE N#Cc1cccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](F)C(=O)O)c1 1957734598 NHBNDCQCMXCHRD-GOTSBHOMSA-N 430.435 4.561 30 10 IJEE CC1(C)C[C@H](Nc2cc(Br)c(C#N)cc2F)CN(C(=O)OC(C)(C)C)C1 1965632544 VPTARBGQKWECFP-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1991908310 BRTHCJWQIIJUFX-CVEARBPZSA-N 429.508 4.703 30 10 IJEE C[C@@]1(Nc2ccc(C#N)cc2Br)CCCN(C(=O)OCc2ccccc2)C1 1998959601 YTJSRRGBFAPRPP-OAQYLSRUSA-N 428.330 4.924 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cccc(Cl)c2Br)C1 2062969406 NZFVMXYOEPITFS-UHFFFAOYSA-N 429.742 4.902 30 10 IJEE Cc1ccc([C@H](n2nc(C)c(C#N)c2I)C(C)(C)C)c(F)c1F 2079849032 QYWVTGUWLYESAJ-HNNXBMFYSA-N 429.252 4.890 30 10 IJEE CCOC(=O)c1sc([C@H](C#N)C(=O)CSc2ccc(C)cc2)nc1C(F)(F)F 2084270803 JSXPALMBMBQJQQ-GFCCVEGCSA-N 428.457 4.616 30 10 IJEE C[C@@H]1C[C@H](Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)C1 2107451495 VNILGLGKTWMKJA-TZMCWYRMSA-N 426.330 4.907 30 10 IJEE Cc1c(Cl)cc(CN2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)cc1Br 2111258346 HHWJRFFCMXEWRD-HALDLXJZSA-N 426.591 4.935 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCCC 2126713448 YZKNICOWAVEGQZ-HOTGVXAUSA-N 433.337 4.717 30 10 IJEE N#Cc1cc(Br)ccc1N[C@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156285919 VUKREBCPQGGNJC-IRLDBZIGSA-N 426.358 4.556 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2159128722 VKANUCUHCBQQBP-CABCVRRESA-N 441.414 4.643 30 10 IJEE N#Cc1ccc(Br)cc1O[C@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2162012640 WSPAAIWTDSKLCT-PZJWPPBQSA-N 430.298 4.682 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)cc(F)c1C#N 2174768086 RMPJTKSQLLILIT-YOWGUQMCSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)cc1Br 2181138767 FVZXCNOIFGOSPR-HOCLYGCPSA-N 436.350 4.733 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(Cc2c(F)ccc(Br)c2F)C3)OC1(C)C 2194169301 WHRNHNHENBUHEG-BLVKFPJESA-N 428.126 4.786 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CCCC1CN(C(=O)OC(C)(C)C)C1 2235721688 RGKILPHDBVUMBL-LJQANCHMSA-N 435.406 4.816 30 10 IJEE Cc1sc(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)c(Br)c1C 2284371225 FVBZIBCOIOLTGN-UHFFFAOYSA-N 441.175 4.573 30 10 IJEE C=CC[C@]1(COc2c(Br)ccc(OC)c2N)CCCN1C(=O)OC(C)(C)C 2287691041 QSHZVESSCHFDES-HXUWFJFHSA-N 441.366 4.765 30 10 IJEE C[C@@](CC#C[Si](C)(C)C)(OCCN)c1cc(Br)c(Br)s1 2293611683 FWOCJURMXITZNP-AWEZNQCLSA-N 439.289 4.735 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](O)C#Cc1cccc(Br)c1)c1ccccc1 2296224234 IDIMLIFDRUCZFI-PMACEKPBSA-N 430.342 4.818 30 10 IJEE CC(C)n1ncc([C@H](N)C#Cc2cccc(Br)c2)c1NC(=O)OC(C)(C)C 2296274392 UHBDBBHPJLKJLW-QGZVFWFLSA-N 433.350 4.625 30 10 IJEE CCCC1([C@@H](N)C#Cc2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1 2296278517 FLJSDJRAVMOJIP-IBGZPJMESA-N 435.406 4.945 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2296283467 HFDLTVQHAVSROH-UAFMIMERSA-N 433.390 4.567 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)C1CCC1 2296296580 POAUOBNDFXBLJZ-LJQANCHMSA-N 435.406 4.958 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 2296760883 NPOASZLNGVPQFF-FQEVSTJZSA-N 449.532 4.605 30 10 IJEE O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccccc1 2297746676 YBVNZUFHNRNDAC-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 2314430074 VRTQUYFUYKXBTO-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE C[C@@H]1[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317346776 MWQUMYAGTROANL-AEFFLSMTSA-N 430.354 4.503 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318829627 OIAYRMLQLIXDLA-ZEVJAHDQSA-N 446.632 4.668 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cc(Cl)cc4c1OCOC4)O3)CN(CC(C)C)CO2 2322071692 ZYRNEDVYZGISQG-UHFFFAOYSA-N 441.911 4.939 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)cc1OC 2322781808 ZGJYQQUOJOKNHT-UHFFFAOYSA-N 437.870 4.770 30 10 IJEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2324688301 RHCMBLANFZMGJE-HNNXBMFYSA-N 426.444 4.995 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3c(OC)cccc3OC)c2)cc1 2325718153 MCAPEQQQTNHHMG-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(N(CC)CC)cc1 2328261617 ZTLOEPQSAMUKJB-UHFFFAOYSA-N 439.585 4.706 30 10 IJEE COc1cc(C=Nn2c(CCc3ccc(C)c(C)c3)nnc2SC)cc(Cl)c1O 2328920911 VZAUUHOYBVHPGP-UHFFFAOYSA-N 430.961 4.652 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccc(O)cc2)cc1 2330552115 LJNHPQHMESNCEA-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccncc1 2330619134 WLUQZSIAGJFSNI-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OC)c2)cc1OC 2330735952 ITTIEHFZZNWILR-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc2c(c1)OCCO2 2331376294 UVOMZLOCKJJZGR-UHFFFAOYSA-N 426.517 4.660 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NCCc2ccsc2Br)OC1(C)C 2339432902 QUFFTFYKZFWPQZ-UHFFFAOYSA-N 443.603 4.513 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]2(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339583440 WSXROTUSSKMWQR-IVAVGGPPSA-N 442.365 4.505 30 10 IJEE C=CCC1([C@H](N)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2339693506 JCYKRRVPJPRWIY-QGZVFWFLSA-N 425.367 4.579 30 10 IJEE CC1(C)C[C@@](C#N)(Cc2ccc(I)c(Br)c2)CCO1 2349877842 JSKYOGKIUGREMA-HNNXBMFYSA-N 434.115 4.695 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H](Nc1ccc(C#N)c(Br)c1F)C2 2358589428 CSVBMTQAPRNEDR-XNRPHZJLSA-N 438.341 4.907 30 10 IJEE C[C@@H](CCC(F)F)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377424421 ISYPGGYPQGRSGN-ZDUSSCGKSA-N 432.158 4.614 30 10 IJEE COc1ccc(CN/C(=N/C(=S)Nc2ccc(C)c(C)c2)Nc2nc(C)cc(C)n2)cc1 14156650 KFXFHLRLCYGOKX-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1ccccc1C(F)(F)F 59016246 NCAUMGHFICROKU-XKMLUPIFSA-N 446.458 4.665 30 10 IJEE Cc1c(C(=O)Sc2nc3ccccc3s2)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101110075 JKNNELZPJCSKLU-FMCGGJTJSA-N 444.607 4.640 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1C 102713738 ZOGNAWSSXYUINL-LCPUNJGISA-N 438.867 4.580 30 10 IJEE O=C1/C(=C\NCc2ccccc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 105336832 SEURUFMGLCVJMY-CPNJWEJPSA-N 444.965 4.565 30 10 IJEE CCC(=O)N1CCc2cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc21 108740080 CNMPWHADDOYSPZ-UHFFFAOYSA-N 441.506 4.839 30 10 IJEE C=CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@@H]12 169681497 HKIZPQHMPAPCJL-FPOVZHCZSA-N 449.904 4.529 30 10 IJEE CCCCOc1ccc(/C=N\Nc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)cc1 169895179 PCJIJEZSYIZQSF-OYKKKHCWSA-N 426.904 4.519 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921741 PCFQIYBFELWZJL-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2OC)c1 169946221 NWMDFRGOPZXVBB-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1OC(C)C 169976292 VWIZKTMZFDQSKB-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccnc2)cc1 170006882 WPGJTZBJJUPSBX-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1 170044169 ZYTYTEQZKYQZNQ-JOCHJYFZSA-N 425.912 4.886 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170058282 VJKJTISFGTZIER-DYESRHJHSA-N 437.879 4.844 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1 170097991 AZFMKNKBDXCEET-IBGZPJMESA-N 432.457 4.681 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccco1)c1c[nH]c2ccccc12 170099073 IDXAMKFRYPRIDB-FQEVSTJZSA-N 442.406 4.559 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170149586 ASXGVCNEQURNIF-JOCHJYFZSA-N 437.536 4.526 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccs1 170164336 KUYKTPKLZFEXHU-GOSISDBHSA-N 431.897 4.763 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1Cl 170166522 CNAJOSOQJOPPOE-LJQANCHMSA-N 447.940 4.940 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccccn2)c1 170172685 USQBQZSIHFUKJW-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170223558 VPQCRMDSUAETTO-QHCPKHFHSA-N 429.447 4.934 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1C 170251471 DCWZRMPPCHVRBT-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC)c1 170323884 XZKFVZSIEFJXKD-DEOSSOPVSA-N 443.499 4.629 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1cccnc1)c1ccccc1 170353619 TXYXBEAVBXPKIA-LJQANCHMSA-N 440.377 4.763 30 10 IJEE COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3cccc4ncccc34)N(C)C1=O)S2 254485851 OINHRKULVZOCGK-KNOSKDQYSA-N 434.546 4.847 30 10 IJEE C=CCN(C(=O)c1cc2cc(C(F)(F)F)ccc2n1C)c1nc(C(=O)OCC)cs1 443869296 PGZUEZZACZIYPQ-UHFFFAOYSA-N 437.443 4.663 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccccc1 507199677 KLASNOJOJJCYTQ-CLJLJLNGSA-N 432.608 4.781 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)c(O)c2)c1 526607635 ZTHVSUSNNRORIT-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 526772075 BNOZMNIQXKWYQA-NRFANRHFSA-N 447.874 4.910 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC1CCN(C(=O)C(C)(C)C)CC1 545131768 FLTSWHZIMXTCEO-UHFFFAOYSA-N 442.629 4.728 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 555268887 IXGJVASFMRHTAZ-UHFFFAOYSA-N 448.567 4.532 30 10 IJEE Cc1c(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc2n1C 556347257 RKVAYAGGILSEHR-UHFFFAOYSA-N 445.544 4.933 30 10 IJEE C=CCn1c(N2CCC3(CC2)OCc2ccccc23)nnc1C(F)(F)Oc1ccccc1 669812709 HVWPCQIXWGHLIV-UHFFFAOYSA-N 438.478 4.618 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3cccc(OC)c3)s2)c1 733799447 NOQDDGFSZKFJDH-GOSISDBHSA-N 436.537 4.745 30 10 IJEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 790562476 SWYNTLPIIKXSAC-KRWDZBQOSA-N 443.400 4.652 30 10 IJEE C#C[C@@H](C(C)C)N1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 798358162 JUJVSXUQLDUJFS-UNMCSNQZSA-N 449.576 4.622 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC2(CCCCC2)CC1 802555069 DSWXXYSTWZRAHF-UHFFFAOYSA-N 437.588 4.831 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccccc2OC(C)C)c(C(=O)OCC)c1C 1124756276 FIWMKXFDTHQNLJ-UHFFFAOYSA-N 445.537 4.544 30 10 IJEE COc1cc(C#N)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 1127878953 FCZPLHAOWQBQEL-SFHVURJKSA-N 449.429 4.790 30 10 IJEE C=CC[C@]1(C(=O)NCc2cc(Br)ccc2F)CCCN1C(=O)OC(C)(C)C 1129473661 BSKYXXYXWCZRHC-HXUWFJFHSA-N 441.341 4.550 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1134915850 OKGIRKGEEXCWQI-FQEVSTJZSA-N 448.950 4.857 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1141269237 ZPNDJXILBRPTST-UHFFFAOYSA-N 434.561 4.933 30 10 IJEE C#CCN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1155358630 AGIXULVUUKGODV-UHFFFAOYSA-N 437.584 4.940 30 10 IJEE COc1ccc2c(c1)OCCN(Cc1ccc(OCc3cccc(C#N)c3)c(OC)c1)C2 1193783800 DMSCPHYSZHFDSV-UHFFFAOYSA-N 430.504 4.549 30 10 IJEE CN(Cc1ccc(Br)cc1F)C(=O)Nc1ccc(C#N)c(Br)c1 1205019846 GRJZQXJZDSFXLD-UHFFFAOYSA-N 441.098 4.886 30 10 IJEE CC(C)O[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1(C)C 1215091277 ALNVRGDFVUKTJT-FGZHOGPDSA-N 425.504 4.990 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1cc(NC(=O)OC(C)(C)C)ccn1 1251121573 ZYCIRCMKUPARFZ-UHFFFAOYSA-N 426.517 4.648 30 10 IJEE C=CCCC1(CNC(=O)NCc2noc(-c3cccc(Br)c3)n2)CCCC1 1252469804 ZUVOXZADUPVWKB-UHFFFAOYSA-N 433.350 4.825 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 1264918905 BCFGLPSEKLOBLP-UHFFFAOYSA-N 428.473 4.670 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1265133836 YRXXVQUEQYJERR-BGYRXZFFSA-N 432.630 4.562 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(CC)cc1 1270243978 PDHYSFQDRSYLDS-DEOSSOPVSA-N 432.564 4.593 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCCC 1286300549 BEDDEGXZYOZOOX-FPOVZHCZSA-N 444.023 4.623 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC(C)(C)C1 1286333430 HBWWNKKBMJHLNT-UHFFFAOYSA-N 445.007 4.670 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cccc(Cl)c1 1286366073 SJIFSQLBQCFKOL-INIZCTEOSA-N 441.000 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](CCC)OC 1286516393 BYVNWUVUPIADQH-NBGIEHNGSA-N 440.588 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCOC1CCCCC1 1286517675 XMFXUFTTZKQGNQ-HSZRJFAPSA-N 427.980 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCCC)nc1 1286569277 KSIABMIXASPWSF-UHFFFAOYSA-N 426.952 4.628 30 10 IJEE C=CCCCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1286692043 YTSAIIMIIRSXOG-UHFFFAOYSA-N 435.616 4.552 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1CCN(CC)CC1 1286713322 DNWOAJJMZIOYHY-SFHVURJKSA-N 432.012 4.816 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1nnc(C(C)(C)C)s1 1286717236 SRDQBXRKASUYLX-UHFFFAOYSA-N 447.406 4.527 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1286719527 JGFFEXMPQZTUAH-UHFFFAOYSA-N 433.556 4.731 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)CN1CCCCC1 1286743812 UBPIUYCDZREYGL-QFIPXVFZSA-N 430.600 4.655 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CCc1cccnc1 1286747215 KNFPAAXUDZEEBW-UHFFFAOYSA-N 448.933 4.963 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1cccc(NC(=O)OC)c1 1286750002 LGEUKSWTXNXXOF-UHFFFAOYSA-N 439.585 4.957 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1Cc1sc(C)nc1C 1286761308 WQYWTSPXVISHDI-UHFFFAOYSA-N 430.581 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](OC)C(C)(C)C)C1 1286800487 LVDUBEBQLNXKJP-BHIFYINESA-N 426.605 4.662 30 10 IJEE C#Cc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)c1 1289988355 UENKDCMJURRXAR-GOSISDBHSA-N 429.314 4.635 30 10 IJEE Cc1cc(OCc2ccccc2)c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)s1 1290342222 DFIYOTPSCDFXTF-QFIPXVFZSA-N 449.551 4.797 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 1293501989 FCICNQJPSWMKDU-BGOLNKOXSA-N 446.613 4.513 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccccc2F)c1 1297473073 BLMCMWUUSVDWBL-IBGZPJMESA-N 443.519 4.879 30 10 IJEE C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 1298805963 OIMPROKTKJEDOU-UHFFFAOYSA-N 436.533 4.637 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1300275361 UEVGKKLPRHHTGE-FMRHZRETSA-N 438.616 4.944 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1300737881 SJCZEPNDMZMFRO-GCJKJVERSA-N 442.581 4.669 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H]1CSC 1300742853 CGCRXHDAHMOUOI-WMZOPIPTSA-N 446.711 4.830 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CC=CCC1 1300904807 HCKUVIHZXBSPPD-LJQANCHMSA-N 425.646 4.796 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1300930352 AMJIQHMVOBXFHP-OAHLLOKOSA-N 444.377 4.775 30 10 IJEE C=C(C)Cn1c(CC(C)C)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1300952305 QHHWQPSJBYVHHW-UHFFFAOYSA-N 425.577 4.962 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1300972672 OMGIFRKBGQQXIG-LVCYWYKZSA-N 448.995 4.525 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2ccncc2)CC1 1301112397 UUIQYOFLRBCGQQ-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(F)c(F)c2)CC1 1301129419 RQZGRFIDTGFUQP-UHFFFAOYSA-N 429.540 4.557 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1301174923 WNGGPUGBJHPYBF-UNMCSNQZSA-N 441.595 4.978 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](C)C1 1301239825 VEBBROVJWGLJMQ-OYRHEFFESA-N 449.599 4.559 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@@H]1CC 1301245361 BAANGTKDPFCCOZ-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1301281085 AXQKJRUWYIHCEU-PXNSSMCTSA-N 443.020 4.760 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1Cc1ncnn1C(C)(C)C 1301349339 JIKFOXZULQLKKZ-QGZVFWFLSA-N 425.556 4.518 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCC2CC(OC(C)(C)C)C2)C1 1301554128 YCGKFLSMRJARTI-IOJLRTSASA-N 442.579 4.849 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC(C)C)cc2)C1 1301557463 PDNKEFHYOXYKRC-JOCHJYFZSA-N 426.605 4.731 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1301802689 CBVDWUBPIDILFN-HOTGVXAUSA-N 425.455 4.507 30 10 IJEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCCS1 1302064975 FNNAMYGAIJEZMM-OAQYLSRUSA-N 439.629 4.781 30 10 IJEE C[C@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)C1 1304973373 FPCLMKKETBBOCI-PMACEKPBSA-N 444.583 4.726 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1307445051 SLHRIKMSMGYXKA-UHFFFAOYSA-N 444.554 4.833 30 10 IJEE C=CCC[C@@H](NCC(=O)NCc1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1307616727 BNERIBVOUVXFEQ-JOCHJYFZSA-N 442.485 4.804 30 10 IJEE C[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1309341383 AIVRMEDTAOHLND-LLVKDONJSA-N 436.377 4.505 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1348984627 COTTZAXQMOIESY-UHFFFAOYSA-N 430.595 4.700 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c(C(=O)OCC)c1C 1352792780 FGMGHAOGJINKIK-HIFRSBDPSA-N 449.475 4.596 30 10 IJEE C[C@H](OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)c1ccc(C#N)cc1 1354918350 IBOLJOVUMXTXGP-ROUUACIJSA-N 446.528 4.616 30 10 IJEE C=CCOc1cccc(NC(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)c1 1355563213 JZEZNBINSCTCOU-UHFFFAOYSA-N 428.451 4.770 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1358938713 IBYYZPPKWRNYNP-RXVVDRJESA-N 426.536 4.509 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1c(C)oc2ccccc12 1358942138 KLHPPJSCDBFUIN-UHFFFAOYSA-N 441.354 4.941 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(CC)CCC1 1358972982 AFOWLDVNCYLLLB-UHFFFAOYSA-N 428.536 4.770 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(C(C)C)CC1 1358987951 YCXNVAWEPUTKAU-UHFFFAOYSA-N 443.364 4.746 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1359163419 DMMWTQKIWJBTKG-UHFFFAOYSA-N 427.936 4.539 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(OC)CCCCC2)CC1 1359174983 VVXVBFIWBYRPJS-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2CN(C)C(C)C)CC1 1359177438 MIFAURMJMAVHHW-UHFFFAOYSA-N 444.627 4.939 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(Cn2cccn2)CC1)c1ccccc1 1359195470 MZJHJEODPVMVFY-DEOSSOPVSA-N 432.616 4.950 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1359202072 IFCRQTHYDKSDHM-QFIPXVFZSA-N 438.572 4.681 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 1359202801 BUWCXIPXFXBGKP-CQSZACIVSA-N 425.396 4.599 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1OC 1359276550 HLGISMXYDOOHNH-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCC1(C)C 1359279244 YKTOYNPCXJVUHF-HXUWFJFHSA-N 434.588 4.800 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2SCCc3ccccc32)C1 1359321834 MFGGBTDZCOXFHB-PZJWPPBQSA-N 426.630 4.679 30 10 IJEE C=CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C#N)CC1 1359338820 IZXPRNNEVWSMOI-UHFFFAOYSA-N 449.580 4.776 30 10 IJEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)cc1 1437345659 HGPNPGGUWKAGIU-IBGZPJMESA-N 443.503 4.982 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@@H](O)c2ccccn2)ccc1C 1448459102 LMXVCMDFDHJDAV-IFMALSPDSA-N 439.556 4.660 30 10 IJEE C#CC1(NC(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)CCCC1 1455183578 BCBRZNWYRNUUJA-UHFFFAOYSA-N 431.005 4.987 30 10 IJEE COc1ccc(C)cc1-n1c(SCC(=O)c2cccc(C#N)c2)nc2ccccc2c1=O 1458832317 AHSJKDMEUPICJM-UHFFFAOYSA-N 441.512 4.549 30 10 IJEE COc1ccc(CNc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1C#N 1461388548 FOUYEOABRAUZJG-UHFFFAOYSA-N 426.564 4.544 30 10 IJEE C#CCN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)[C@H]1CCCc2ccccc21 1463006444 FICLFTKMAJJUQL-QFIPXVFZSA-N 440.465 4.985 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)CCCN1C(=O)OC(C)(C)C 1464219850 QKHXPSBIPANZRI-SANMLTNESA-N 448.567 4.687 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)c3ccc(Br)cc3OC)cc21 1467381260 DPHREZXMYJGJER-ZDUSSCGKSA-N 429.318 4.876 30 10 IJEE CCCc1c(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cnn1-c1cccc(C#N)c1 1476433236 FPSICRKOTZDQFR-FJSLEZNWSA-N 449.599 4.880 30 10 IJEE CCOC(=O)c1c(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c(C#N)cn1CC 1476760305 DBNVPAXPVGTVDB-NJDAHSKKSA-N 434.540 4.746 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)C1 1493229257 CHEKOWHOZOOQLV-KDURUIRLSA-N 444.583 4.920 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)C1 1493229273 CHEKOWHOZOOQLV-RTBURBONSA-N 444.583 4.920 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC=CCC1 1507524860 WTHPPTYGUFMHQB-CVEARBPZSA-N 429.362 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1scnc1C 1507525390 ARMIKDMCTXCTBB-KRWDZBQOSA-N 447.564 4.583 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCC1CC(OC(C)(C)C)C1 1507692014 QWIDDLBOZVAENK-UHFFFAOYSA-N 430.543 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1507804096 JVQMZFCMMVOYEG-JLGINSKQSA-N 435.547 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)NC(=O)OC(C)(C)C 1507814671 CWKSGVTVAAFBNC-UHFFFAOYSA-N 438.576 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCC1 1507815591 HUFIPIOSMZOHDD-HXUWFJFHSA-N 446.599 4.995 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2c(CC)nn(C)c2CC)CC1 1507887328 NGMOYGHWPZSAAG-UHFFFAOYSA-N 432.616 4.516 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1507924400 MVKKMPDAJYYKSN-YADHBBJMSA-N 435.616 4.647 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCC[C@@H]1CCCCO1 1508006989 PEUZEKMPGTVZSU-IBGZPJMESA-N 425.602 4.887 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CC1(C)C 1512329862 AMGHKUCSXWZRSD-KOSHJBKYSA-N 439.629 4.887 30 10 IJEE C=CCCC[C@H](C(=O)NCC(=O)Nc1ccc(Br)cc1C)c1ccccc1 1521476107 RSXRHLDJYLRRME-IBGZPJMESA-N 429.358 4.952 30 10 IJEE COc1cc(-c2cc(C(=O)NCC(C)(C)CC#N)c3ccccc3n2)cc(OC)c1OC 1524952785 AVSKCYOMYAODRJ-UHFFFAOYSA-N 433.508 4.597 30 10 IJEE C=CCC(C)(C)C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1527591052 CDKDKRGKFJSNLE-UHFFFAOYSA-N 430.545 4.784 30 10 IJEE C#CCOc1cccc(OC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)c1 1528715878 VSAXQAGYXJWTQX-UHFFFAOYSA-N 429.303 4.956 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1I 1530533705 KHERGWYVBFNDKH-UHFFFAOYSA-N 431.726 4.763 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCCN1CCCC[C@H]1C 1538970172 AJXWOYDLWRUQSL-PWRODBHTSA-N 441.595 4.670 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1539134481 VEYWUKJARGVYRT-UHFFFAOYSA-N 443.595 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cccs1 1539306228 UMAHTHCAMNQRTH-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(OCC)CCCC1 1539539460 UWJLPIXEMAKPFD-NTKDMRAZSA-N 440.563 4.899 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1539616774 RXHQNASCKCZHRV-WMZHIEFXSA-N 442.579 4.707 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2cc(Cl)cn2)CC1 1539827837 AYKZBZWHGFVJLV-INIZCTEOSA-N 447.370 4.778 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1OCC[C@H]1C 1540136034 FTSLEEJXWFXIOZ-DYESRHJHSA-N 426.561 4.687 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1540172383 ZCPQOVDEUZXDFH-NBGIEHNGSA-N 425.596 4.697 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](CC(C)C)C1 1540912940 GCJNBIMVLRYEKX-HXUWFJFHSA-N 436.629 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 1542187615 HWDIZXFPRIJCSV-UHFFFAOYSA-N 427.888 4.809 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@H]2CCOc3ccccc32)n1 1542582298 HFVAOYKPZKGDKR-OAQYLSRUSA-N 444.583 4.981 30 10 IJEE Cc1nc(CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1542937697 AIXSZXUKOPPXPT-NRFANRHFSA-N 426.977 4.736 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccc(OC)cc1 1559321052 BEUFGONCXNGJLY-HXUWFJFHSA-N 441.528 4.545 30 10 IJEE C=CCn1c(SCC[C@@H]2COC(C)(C)O2)nc2scc(-c3ccccc3)c2c1=O 1559330558 GAJQCODOCMKKRI-MRXNPFEDSA-N 428.579 4.945 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3=O)c2)cc1 1562351746 HQDLQTMRKYMOIT-QFIPXVFZSA-N 446.894 4.931 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1563472724 ZXKZHOLTRMQPGU-SFHVURJKSA-N 425.495 4.661 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCCC2 1566156515 XPMWJRZMOVERCB-KSZLIROESA-N 429.001 4.609 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(ccc(OC)c2OC)[C@H]1CC 1583625921 LNHRJQBRXSPJLO-WOJBJXKFSA-N 446.588 4.789 30 10 IJEE C#CCO[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1Oc1cccc(Cl)c1 1584497728 RJYFEINMXAJUBM-AWEZNQCLSA-N 436.733 4.892 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1 1586616340 HQIMPZOGROVQSZ-HXUWFJFHSA-N 434.989 4.712 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(COC)CCCCC1 1588250896 KLNRGFZMONADKL-UHFFFAOYSA-N 448.611 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 1589515805 SGEGOXDZUIVQPV-QKLQHJQFSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(F)cc(F)c1 1589560439 ZLOHPXADGIYKEA-CVDCTZTESA-N 430.543 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@@](C)(CC)O1 1589608124 BZMQLOULELVCKI-OXQOHEQNSA-N 436.398 4.786 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1593757649 LAXAENCCOQEMPD-NQIIRXRSSA-N 437.613 4.609 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccco1 1593769377 MUACAARHZUBTGU-IBGZPJMESA-N 426.492 4.523 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nc(C)cs2)CC1 1594024041 QRTLUCPFXAYQTD-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(CCC#N)CC1CC1 1594454651 HBFDEOJOKLBYCQ-UHFFFAOYSA-N 445.409 4.778 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1594497653 LFHLYPIZQNUUDJ-PZJWPPBQSA-N 426.605 4.850 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)cc1 1595141035 CIAWGJATLJWXNP-XMMPIXPASA-N 438.597 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1595157143 WEABBMHPXKFTKT-NRFANRHFSA-N 425.577 4.852 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@](C)(CC)C2)cc1 1595639910 OEUYTXXRKFJYPJ-XMMPIXPASA-N 438.597 4.549 30 10 IJEE CCN(CC)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 1597706195 CMSPBXHELMETBY-OAQYLSRUSA-N 447.501 4.934 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c(Br)cccc21 1611454010 XKZMDYFZWCKMLF-QZTJIDSGSA-N 437.378 4.802 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCOCC1 1611896788 GOPSCHPBNQCOBF-YJBOKZPZSA-N 445.995 4.711 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1612777716 BJWOUQUTBAYHKK-RTWAWAEBSA-N 432.616 4.687 30 10 IJEE C#CCCOc1ccc(CNc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 1620930643 LKOQMHSAEDTRBX-UHFFFAOYSA-N 426.582 4.654 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1 1625078354 WLVKMLXNGHTDHF-JPYJTQIMSA-N 439.397 4.583 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cn(C)c2cc(Cl)ccc12 1625261050 AZBAZBNTBPOLMV-IBGZPJMESA-N 433.980 4.740 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cc21 1627044996 NGMLZCZGCBYTQS-IBGZPJMESA-N 443.334 4.772 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](c1ccc(CC)cc1)c1cccnc1 1627379099 KIDPNFKNQXNAQS-ZEQRLZLVSA-N 449.595 4.889 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 1636982901 ARHULLPALYDWFG-CYBMUJFWSA-N 443.356 4.833 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC(C)(C)C)C2CC2)nc2sc3c(c2c1=O)CCCC3 1640696913 WOISBWMYMGQLTO-KRWDZBQOSA-N 432.611 4.735 30 10 IJEE C=CCn1c(S[C@@H](CC(C)C)C(=O)OC)nc2cc(-c3ccccc3)sc2c1=O 1640772463 WYVWOQYUQFBIED-SFHVURJKSA-N 428.579 4.991 30 10 IJEE CCOC(=O)c1sc2nc(CN3CCCCC3)nc(NCC(C)(C)CCC#N)c2c1C 1642753667 BJMYRFLNBMWTJK-UHFFFAOYSA-N 443.617 4.904 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CCCC1 1645356789 OBFAEYJQJYBBAJ-UHFFFAOYSA-N 430.545 4.883 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnn(Cc3ccccn3)c2)cc1OCC 1649066309 YXXIYYFNKRFAKC-UHFFFAOYSA-N 443.345 4.665 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@H](N[C@H](CC)CC#N)c2ccccc2)sc2c1CCCC2 1654660980 DELLXULLSYWMME-DYESRHJHSA-N 439.581 4.765 30 10 IJEE N#Cc1cccc(Br)c1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 1655450200 DZNGSUCMIJYIPG-UHFFFAOYSA-N 425.248 4.828 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CCCC3 1656066821 GXDVVUQGWAYGEK-OWCLPIDISA-N 445.654 4.508 30 10 IJEE Cc1ccc(S(=O)(=O)N[C@H](CN(Cc2ccc(C#N)cc2)C(C)C)c2ccccc2)cc1 1657115144 BGVQVGQCOHFUEA-AREMUKBSSA-N 447.604 4.797 30 10 IJEE N#CC1(CS(=O)(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CCCCC1 1661298107 ABCGXXCGKXVXGO-QGZVFWFLSA-N 429.355 4.529 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)c1ccccc1 1665225698 AKIBNNRQTRIRNV-JMQGSBJISA-N 446.516 4.965 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)Cc1cc(Cl)ccc1Br 1666585290 FDDMBALVDFOSSZ-UHFFFAOYSA-N 444.778 4.629 30 10 IJEE C=CC[C@@H](NC(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccncc1 1669191467 HDNKPUSJRLKXIT-YKSBVNFPSA-N 428.577 4.664 30 10 IJEE C#CC[C@H](NC(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1)c1ccccc1 1670721879 NEYQPBSZCZSVBD-NRFANRHFSA-N 435.524 4.702 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1671424785 FQIZHIMUCPGHCR-ILBGXUMGSA-N 444.579 4.878 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)c1ccc(Cl)cc1F 1673320960 HIEZKEHYPAICSK-YADHBBJMSA-N 431.939 4.543 30 10 IJEE CN1CCC2(CCCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)CC1 1673627536 GIBDSRYXMOTQOR-UHFFFAOYSA-N 432.568 4.671 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1674035750 DWIDOUAXSWVRFQ-ZOCIIQOWSA-N 437.943 4.631 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C 1676223893 BIFULAGMONECME-NRFANRHFSA-N 448.380 4.897 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ncc(Br)cn1)c1ccc(C(F)(F)F)cc1 1680632234 ALXGTIBSTMUMAP-HNNXBMFYSA-N 443.267 4.765 30 10 IJEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1nc(C(C)(C)C)cs1 1689955348 DGUTUDYUJZKSKY-UHFFFAOYSA-N 430.581 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC(CC)(CC)SC 1690039404 DWBVWLHQUITZHC-UHFFFAOYSA-N 431.609 4.878 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C(CC)CC)N(C)C 1690209055 IOLHEGNKAOPIMJ-RPLLCQBOSA-N 446.643 4.709 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(C)C)C1 1690221929 DETNZPCJLGCTHQ-INIZCTEOSA-N 443.748 4.507 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1690288459 ZUIFSLMMILEKLM-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1C 1690736103 SUTSINGWMBLJJZ-ZDUSSCGKSA-N 425.371 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCN(CC(C)C)C1 1705478633 FDFMAPYEFRUDTB-XZOQPEGZSA-N 433.644 4.574 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1705528163 WMLQOTKOBXTOER-LJQANCHMSA-N 440.954 4.806 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(Cl)s1 1705573583 JUQDSUJCMAIKTH-HNNXBMFYSA-N 445.375 4.908 30 10 IJEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(Cl)s1 1705622485 JQPMMXVEHYKCTE-UHFFFAOYSA-N 441.000 4.597 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCSCc1ccccc1F 1705672045 INDZBRDQVQDORH-XMMPIXPASA-N 435.572 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(CCC)Cc1ccc(F)cc1C 1705699426 GUUASYBTBBQFFL-FUDKSRODSA-N 442.579 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1705718532 PJTUQPXCPORZCE-HXUWFJFHSA-N 427.612 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(c2ccccc2)CCC1 1705719864 NQKHYSPRDFPKHF-UHFFFAOYSA-N 449.624 4.794 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1705721254 RRHYAQPBSGXLEK-QZTJIDSGSA-N 446.979 4.654 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1Cc1ccccc1 1705723075 YMMQEJZSSVYAKS-SFHVURJKSA-N 426.362 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1705777511 CUPKOPAERZLASK-UHFFFAOYSA-N 439.604 4.777 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705790950 KCNBHZFTRQFELG-IEBWSBKVSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1ccc(Cl)s1 1705794740 RXDKBVRMWPJCDL-UHFFFAOYSA-N 436.025 4.744 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1705807128 UICJDWUCQXYLMI-UHFFFAOYSA-N 425.533 4.858 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1c(CC)noc1C 1705848039 DHXXVTYBAJLQLE-UHFFFAOYSA-N 436.343 4.693 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(C)cc1)N(C)C)C1CC1 1705851255 ZNOZDUJJGIDSPW-NRFANRHFSA-N 436.991 4.760 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1OC(F)F 1722345179 FOLWLEIZKQDVLJ-OAHLLOKOSA-N 442.535 4.851 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCO[C@H]1CCCC[C@H]1C 1722380270 XARIZVYSJFGBCF-QPPBQGQZSA-N 432.612 4.911 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](F)C1 1722401876 KZRXAQAYSGKUKN-MJGOQNOKSA-N 430.980 4.825 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)Cc2cccs2)CC1 1722570095 UNNWAARZWNJZFO-LJQANCHMSA-N 438.597 4.962 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1722574959 ULVQRFLJNDTCQP-WWNPGLIZSA-N 438.616 4.988 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1nncn1C 1722584789 XLJRYBJIEYJFIA-SFTDATJTSA-N 433.604 4.892 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(C)(C)C)C1)c1ccccc1 1722596521 KHKZWKXGKKCHHW-FGZHOGPDSA-N 435.616 4.633 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCCN(c2ccccc2C#N)CC1 1722602164 RFKNHORBHWGDJB-UHFFFAOYSA-N 430.556 4.791 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1cnccc1OC 1722672988 DUYWNBZWQGZINO-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)CN1CCCCC1 1740535021 MSUHGCNQJWRPKU-HSALFYBXSA-N 444.023 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCCN1CCC[C@@H](C)C1 1740536095 ZCPFMLBWMHBMPF-QHAWAJNXSA-N 441.595 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(C)cc(OC)c1 1740538753 JWYNRZONRPNDMI-AEFFLSMTSA-N 434.609 4.955 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ccc(Cl)s1 1740582918 SRDSIULMYVMTPY-UHFFFAOYSA-N 430.961 4.727 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC1(COC)CCCCC1 1740645209 IVQMJJMXPNEQMH-UHFFFAOYSA-N 436.625 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@](C)(O)CC 1740769077 GIKSXTMYAPUCBC-IBGZPJMESA-N 441.801 4.924 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1 1740787993 NQXPNQMVDKXCGN-UHFFFAOYSA-N 430.556 4.525 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C 1740853028 WVIIBASCLYKXOW-UHFFFAOYSA-N 444.023 4.794 30 10 IJEE C=CCN(c1nnc(-c2cccc3cccnc23)n1CCCN(C)CC(F)(F)F)C1CC1 1740908536 BAUKGGIFDJNGQW-UHFFFAOYSA-N 444.505 4.532 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H](C(C)C)N1CCCC1 1740921570 AHMHXXDDINZAAM-QFIPXVFZSA-N 436.629 4.715 30 10 IJEE C=CCn1c(N2C[C@@H](C)C[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)nnc1C(C)(C)C 1740950138 QDILACVKCFAZLT-XMHCIUCPSA-N 447.942 4.858 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(C)C)C1 1740970630 AQGSTLANHZJORS-JOCHJYFZSA-N 448.615 4.625 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740996862 JVAGXOAZNDLVLB-IEBWSBKVSA-N 427.574 4.789 30 10 IJEE C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2Br)C1 1743076907 FRRPBILTJFPYPH-AWEZNQCLSA-N 442.386 4.925 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1745834897 HEBCVTBNCSISGO-FQEVSTJZSA-N 429.515 4.648 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1748737147 YAMITHFXAGTXSZ-NFBKMPQASA-N 431.584 4.770 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC(C)CC1 1748908244 WJNXVXNNSZHKEK-JTHBVZDNSA-N 437.632 4.615 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749219282 BYUYEXRDBNDCBC-UHFFFAOYSA-N 431.540 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1749293165 DJWRLEUNEPUKND-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1749385843 UTUYOHZIFBDZLL-QHCPKHFHSA-N 435.616 4.648 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H]1CCCn2ccnc21 1749531439 KSMZKZIQTORHKV-DENIHFKCSA-N 429.572 4.630 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(Cl)s1 1749596475 ZBKIXMVDCFJOEK-UHFFFAOYSA-N 441.988 4.839 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCSC1 1760122312 JDZVIFCGQLEDOG-RTBURBONSA-N 426.630 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](SC)C(C)(C)C 1760299527 XZKVEFCXAWUTLI-ZVVFGRKBSA-N 432.678 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cscn1 1760321531 HSEJZKWCFAOIIC-UTKZUKDTSA-N 444.004 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1760410029 RAVBTOIEHVOORQ-LJQANCHMSA-N 434.563 4.797 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H](C)C1)C(C)C 1760488540 XWZGDXGOCUWIMB-WRALFONMSA-N 446.643 4.998 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ncc(CC)s1 1760508373 XQYWIYAIRGXESY-UHFFFAOYSA-N 432.391 4.857 30 10 IJEE CC(C)(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(Cl)ccc1OC(F)F 1760748384 GOYMTGCNTDQNKU-FQEVSTJZSA-N 441.885 4.612 30 10 IJEE CCC[C@@H]1C[C@H]1n1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@](F)(C#N)C1 1764654226 IEUHVHKGFMPXJI-XHDSLABCSA-N 427.524 4.620 30 10 IJEE CC(=O)OCCn1nc(C(=O)Nc2ccc(C#N)cc2)cc1-c1cc(Cl)ccc1Cl 1859389294 QALKTVIRMKEJDP-UHFFFAOYSA-N 443.290 4.544 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861208699 OAJPIPLFLCDMOC-VWNXMTODSA-N 447.639 4.799 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 1862099060 UINRWPIEGUBNCQ-SFHVURJKSA-N 444.579 4.846 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1c(F)cc(F)cc1F 1862460343 JXKZKJVVTAXONB-LJQANCHMSA-N 446.381 4.533 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CC2)cc1 1862525421 BSPJIJPTBMRAJE-LJQANCHMSA-N 442.309 4.589 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 1862611475 MHTSQYBKSHAART-LJQANCHMSA-N 446.286 4.505 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862614886 HCPYOQNMPUJGHL-JOCHJYFZSA-N 432.520 4.690 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862672389 BYOPEIQDMHSKTM-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862678586 OXLMYMKAJSDNPB-XWRIVVANSA-N 437.467 4.681 30 10 IJEE CN1CCCc2cc([C@@H]3C(C(=O)c4ccc(F)cc4)=C(O)C(=O)N3C3CCCC3)ccc21 1862680100 UMSXXXMIKZAQHM-HSZRJFAPSA-N 434.511 4.729 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 1862829115 WKENQOVATOTCPJ-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1C 1862881242 DGLCKRRECBKGRE-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCC3)C2=O)cc1 1863363066 KUBIABOVIGJTAW-UHFFFAOYSA-N 429.520 4.870 30 10 IJEE CSCC[C@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)Nc1ccc(C#N)cc1 1866794161 FEXGELMZQGYYNO-QFIPXVFZSA-N 437.609 4.801 30 10 IJEE CC(C)[C@H](C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(F)cc1 1866971072 IYKRGRJEAJWNOP-ZEQRLZLVSA-N 429.495 4.933 30 10 IJEE CCOc1ccc(CC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870148198 ADHBZNIYUSBNPZ-UHFFFAOYSA-N 431.540 4.966 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870233309 IVNXNYVQEQDBJP-UHFFFAOYSA-N 444.560 4.803 30 10 IJEE CCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccc(F)cc1 1870348419 XQCYHUYBYGNDCY-UHFFFAOYSA-N 433.527 4.523 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN(C)C 1870496262 ZCVBZWSRWPDYMD-UHFFFAOYSA-N 447.664 4.688 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc3cc[nH]c3c2)cc1=O 1870810724 OZUSFSCRANMEGI-UHFFFAOYSA-N 429.520 4.758 30 10 IJEE C#CCOc1cn(CCCCCCCC)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871007283 ULRBUIVFZQKDDT-UHFFFAOYSA-N 441.528 4.750 30 10 IJEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(F)c(F)c1 1871210076 VXNFWJFSQFOMIY-UHFFFAOYSA-N 426.463 4.691 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871874361 QXGGNWWFOKVNPV-MGPUTAFESA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872434985 YXPDMNXYCRTEEH-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872512207 RKQCSSWHYCTVOF-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872524276 WWDBELYWNUHGQT-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE COc1ccc(OCCCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872772438 CYEGIIIGXHBNRQ-SFHVURJKSA-N 436.489 4.583 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1C 1872782416 JKAOBKFMHMMUNE-LEWJYISDSA-N 429.545 4.652 30 10 IJEE N#Cc1ccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3ccncc3)C2=O)cc1 1873285623 LDOLXNHGMHSTPB-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccccc1Cl 1873504657 GHMQQKCIDITAKJ-BYWZACNXSA-N 444.944 4.542 30 10 IJEE C=CCn1c(C(=O)NCCCCCO)cc2c(N(CCCC)CCCCCC)ncnc21 1873593619 SJCAOHWTFOSQMX-UHFFFAOYSA-N 443.636 4.697 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)Nc2ccc(C)cc2I)c1C 1874184202 UVQJJFBFHJPOFN-UHFFFAOYSA-N 437.325 4.560 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccnc1 1874196407 IOHRMCNZHZHEPU-MFKUBSTISA-N 439.585 4.943 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(OC)cc1OC 1874246176 QLULDCWGYZPPCG-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE Oc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1cccc(F)c1 1874344644 YDKPJQWMLBWHBX-WGOQTCKBSA-N 448.523 4.919 30 10 IJEE COc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1O 1874375786 NAVSSIRBGWCSMA-CVKSISIWSA-N 448.523 4.897 30 10 IJEE C=C(C)CSc1nnc(CC2CCCCC2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874407771 OPQXZNNVUGSLFZ-ZVHZXABRSA-N 444.601 4.977 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2-c2cccs2)c1 1874424883 IDMFWPUJOXMBIQ-MFKUBSTISA-N 447.589 4.606 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccccc1F 1874436570 HQNCMNDFHAZTAP-FSJBWODESA-N 445.589 4.989 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2cccc(F)c2)nnc1[C@@H]1CCCO1 1874448349 ZHTNVJJXDANXFG-RIDKEVFESA-N 432.908 4.802 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1/N=C/c1cccc(Cl)c1)Nc1ccccc1 1874463824 DDRHJYBCUOXCEC-YDZHTSKRSA-N 437.912 4.805 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)c1 1874594082 QUQROWJHXZITOL-ZRDIBKRKSA-N 431.488 4.926 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)[C@@H]1CCCO1 1875137137 XTEROTVYDRKPDY-VQFGERMISA-N 445.309 4.747 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cnc(C)cn1 1875157996 ZOAUGVJIOWWMCY-FPYGCLRLSA-N 426.831 4.701 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1Br 1875167148 RDRRCBMLAWRYIR-VMPITWQZSA-N 447.325 4.913 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1922047206 PPYXQWQKZODAAX-PUHABZHSSA-N 434.624 4.686 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)s1 1962856347 PZRZFLYDVDDFHY-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CCOC(=O)c1c(C(C)(C)C)nn(-c2ccc(F)c(C(F)(F)F)n2)c1C(F)(F)F 2078899699 WVMJAVRDFDXBLQ-UHFFFAOYSA-N 427.320 4.918 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2F)C1 2106029834 HDRUQOANHZHACB-JSGCOSHPSA-N 426.330 4.955 30 10 IJEE N#Cc1c(F)cc(Br)cc1Nc1cccc(F)c1I 2107448424 WMKYXRANDBHUED-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)Cc2cc(C)c(Br)s2)C1 2137595548 YMERLVXHBDJUAU-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)cc1Br 2156285778 UUPZSNHPXPICAS-RBBKRZOGSA-N 426.358 4.556 30 10 IJEE C=CCN(CC(=C)Br)[C@]1(CN)CN(Cc2ccccc2)C2(CCCCC2)C1 2156289540 UQFFZLDDCRHOOL-HSZRJFAPSA-N 432.450 4.689 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2163696914 BSOOEUNNAUBPHH-LAUBAEHRSA-N 428.349 4.951 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCCC1 2181133633 VUJILKPDSUILLT-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181135685 RJYCMFZHKAVXPY-DYVFJYSZSA-N 436.350 4.685 30 10 IJEE CC(C)C1(C#N)CCN(C(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)CC1 2213566348 COKNNTPJPBRKDU-UHFFFAOYSA-N 427.589 4.992 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](CC(F)F)NC(=O)OC(C)(C)C 2235721362 AYVBARLSGFRCGZ-SJORKVTESA-N 445.348 4.717 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1CCC1 2235745491 CUFJELJGSJSVAI-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCc1ccc(C#C[C@@H](N)c2ccc(Br)cc2I)cc1 2239639759 BRMDLLAEQMBFAX-QGZVFWFLSA-N 440.122 4.668 30 10 IJEE CC(C)(C)C#CC=CC[C@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2248511971 DXTGOJFCWLUVEI-BKMJKUGQSA-N 426.601 4.513 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@@]4(CS3)C[C@H]3CC[C@H]4C3)COC2)cc1 2256610761 NDUAREAYZYCEQP-NLJOTIRTSA-N 447.648 4.709 30 10 IJEE C=CCCC1([C@@H](N)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2266298348 IUHQUTZWWOXAJY-INIZCTEOSA-N 431.321 4.930 30 10 IJEE O=C(C#Cc1cccc(Br)c1)c1ncc(Br)cc1Br 2278734177 BLLOFEWFXYJJOT-UHFFFAOYSA-N 443.920 4.604 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)ccc2C#N)[C@H](C(F)(F)F)C1 2281042384 RSELLGSDMRDQMO-HIFRSBDPSA-N 448.283 4.745 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2283009088 BYWNKJBXUXFHBO-DEOSSOPVSA-N 449.448 4.671 30 10 IJEE O=C1NC(=Nc2ccc(Br)cc2)SC1=Cc1ccc(Br)o1 2295491520 MYSFIOBUNHZCIM-UHFFFAOYSA-N 428.105 4.696 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 2296290616 FMJNFYLJISNPIA-UXHICEINSA-N 435.406 4.720 30 10 IJEE C=CCOc1ccc(C=C2N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OCC 2297328023 WDCVHAJLQWVLCZ-UHFFFAOYSA-N 428.828 4.556 30 10 IJEE CCOc1cccc(C=C2SC(=Nc3ccc(Br)cc3)N(C)C2=O)c1O 2297559806 KWTSHTBNADJRML-UHFFFAOYSA-N 433.327 4.787 30 10 IJEE COC(=O)C[C@H]1c2cccnc2Oc2ccc3c(c21)OC(=Cc1ccccc1OC)C3=O 2297591701 XCMQUERMTMMCBA-KRWDZBQOSA-N 429.428 4.507 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2305320329 UAKNMBOACXBREB-ZHVWDZEKSA-N 428.573 4.601 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 2314478105 QAZFWWFQQWSBRY-HSZRJFAPSA-N 430.891 4.913 30 10 IJEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 2318584773 PLBSATIYTZKSJG-CTNGQTDRSA-N 447.362 4.525 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2COc2cc(F)ccc2F)cc1 2322145829 HACDLBJRQFUWOT-UHFFFAOYSA-N 432.496 4.875 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)OCO2 2322698882 JWVJMESHJULPMQ-UHFFFAOYSA-N 443.927 4.992 30 10 IJEE O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2323434400 RVOKZEJMBLJYDB-UHFFFAOYSA-N 431.375 4.969 30 10 IJEE CCOC(=O)c1sc(NN=Cc2cccc(OC)c2OCc2ccccc2)nc1C 2323874547 WSZIMACHXSVTOW-UHFFFAOYSA-N 425.510 4.662 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3ccc4c(c3)OCO4)c2C)C1=O 2325182746 GDPFXYWYSDKMON-UHFFFAOYSA-N 449.484 4.727 30 10 IJEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2325327378 KICWVUFMZUDLFJ-UHFFFAOYSA-N 434.536 4.505 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cc(OC)ccc3OC)c2)cc1 2325719048 PSMFGHHLBWSHMX-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)c(OC)c1 2325740010 VKZUOLJGGPVWSS-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(OC)c(OC)c1 2328857541 FDGQMLCXVFKPKM-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE CCC(=CC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(OC)cc1 2329552277 SNIIMPBSCFLEJW-AREMUKBSSA-N 439.515 4.856 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1cccs1 2330471239 NDXFTWUFESWNRB-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)[C@@H]1CCCO1 2330893239 WWACCOAUVHKKIZ-FQEVSTJZSA-N 445.309 4.828 30 10 IJEE CCCOc1c(C=Nn2c(COC)nnc2SCc2cccc(C)c2)cccc1OC 2331562080 CBJLBKRYXJRMGO-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccc(F)cc1F 2331633306 GNYXIKQIMOLBIP-UHFFFAOYSA-N 443.523 4.684 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cccc(Cl)c1 2331688064 YBODKMLWRPSOBN-UHFFFAOYSA-N 427.961 4.976 30 10 IJEE CC#CCN(C[C@H](NCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 2337901964 TXVRBQQULAMSOO-HNNXBMFYSA-N 431.321 4.638 30 10 IJEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339535453 LZFSXQMVNPYKQF-HKUYNNGSSA-N 443.397 4.608 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2359707631 SZOCVXFOSWZRDB-PKICCIJUSA-N 434.374 4.635 30 10 IJEE Cc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3041285 LVQRXTXYODXRBY-QLYXXIJNSA-N 434.952 4.886 30 10 IJEE CCc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccc(F)cc4)c3O)c(C)c2c1 38624014 DAKRXBVGCFWPMJ-UHFFFAOYSA-N 444.462 4.769 30 10 IJEE CCSc1nc2ccc(NC(=O)CSc3n[nH]c(NN=C4CCCC4)n3)cc2s1 59040575 KDQFQJPKRYALSJ-UHFFFAOYSA-N 447.615 4.599 30 10 IJEE COc1c(Br)cc(Br)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1 169879181 VFKOTBWGCPBEFG-CAOOACKPSA-N 429.068 4.574 30 10 IJEE CCCCCCOc1c(OC)cc(/C=N/NC(=S)Nc2ccccc2)cc1[N+](=O)[O-] 169884497 YMXVAGAYBJUTPC-PXLXIMEGSA-N 430.530 4.883 30 10 IJEE CCOc1cc([C@H]2NC(=S)NC3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 169939049 UEHJFPGBMDSNFI-JOCHJYFZSA-N 442.968 4.844 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1O 169942741 NULHBOJFMAFUEU-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccc(O)cc2)cc1 169959548 CTGHVJPRQDQMAG-HSZRJFAPSA-N 447.462 4.885 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1 169988051 MKYNLKSGAQKUGN-IBGZPJMESA-N 445.418 4.957 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCCOC)c1 170112175 ZYUGGWYZTVWFRC-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)c1 170119151 JFXFDZOHHGBOJI-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccs2)cc1C(C)(C)C 170154532 GIIFVYVPJHQDRX-HXUWFJFHSA-N 443.565 4.669 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)c1 170177873 XLRKVKIDGOUZBC-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(O)c2)c1 170258757 FHUCGECAXXCAOP-HSZRJFAPSA-N 445.471 4.668 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1C 170270052 BUQZQLJVVVDDCZ-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2C)c1 170273405 SMUONJLLUFDTCI-REWPJTCUSA-N 435.520 4.541 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@@H]1c1ccco1 170295035 LGEJIYXPENGPRM-SFHVURJKSA-N 448.313 4.819 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl 170444138 GRVMMKHHZVQCDO-FQEVSTJZSA-N 428.916 4.540 30 10 IJEE CCOC(=O)c1sc(NN=Cc2ccc(OCc3ccccc3F)c(OC)c2)nc1C 254743436 ALBPIHNJOHKOOP-UHFFFAOYSA-N 443.500 4.801 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 406718691 SLPSOONWSRUBKM-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(N2CCC2=O)cc1 439960151 XMWMEKIBIIFDJN-UHFFFAOYSA-N 432.293 4.545 30 10 IJEE N#Cc1cccc(/C=C\c2nc(C3(c4cccc(Br)c4)CCOCC3)no2)c1 445396052 ZGUNTPYAFMCJFI-FPLPWBNLSA-N 436.309 4.971 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1csc(N(C)C2CC2)n1 469806524 KSVMSCQUGXTGTD-UHFFFAOYSA-N 431.562 4.530 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 475572947 QOVXLUIOEANQPK-UHFFFAOYSA-N 437.559 4.987 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)c(OC)c2)c1 526607540 XSKXGTLTHHHZSO-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE C=CCn1c(SCc2nnc(C3CCC3)n2C)nnc1-c1ccc(Br)cc1 543959670 NXRJWGQIRILSMK-UHFFFAOYSA-N 445.390 4.582 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)OC)c1c(F)cccc1Cl 544077242 PGAUARUKXJKMKS-IBGZPJMESA-N 431.920 4.854 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 549287647 LXGBXTOANWDVOQ-LJQANCHMSA-N 446.523 4.686 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccc(F)c(F)c3)C2)c1 586025217 IOAZDVGGLJXHGR-HXUWFJFHSA-N 441.522 4.837 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1OC 609506316 ZNUBVJWTBFUTEF-GOSISDBHSA-N 430.504 4.923 30 10 IJEE N#Cc1cccc(CC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1 750432861 OBIFFFSPDNXIOE-QFIPXVFZSA-N 449.850 4.586 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CCCF)C2=O)cc1 767722338 PKASSXCNUXXKQA-HXUWFJFHSA-N 441.528 4.518 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 789457091 RQBUIRPHUNYLJD-UHFFFAOYSA-N 425.548 4.960 30 10 IJEE CSc1ccccc1N/C(=N/C1CCC(CC2CCC(N)CC2)CC1)N1CCOCC1 1088665327 WPUXNOJMZIECSZ-UHFFFAOYSA-N 444.689 4.975 30 10 IJEE Cc1coc(-c2ccc(C)c(NC(=O)COc3cccc(Br)c3C#N)c2)n1 1127074458 FMBHYNFTFQLISB-UHFFFAOYSA-N 426.270 4.610 30 10 IJEE N#CCC[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccccc1 1127381750 FMGLIZGDXXZNOJ-LJQANCHMSA-N 431.496 4.910 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)C(C)(C)CC)c1 1128698618 IJJRFRNQFSPRCU-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(F)cc2nc(C)c(C)nc12 1129702787 LCVBBFDMURIZQZ-UHFFFAOYSA-N 430.277 4.965 30 10 IJEE C#CCN(CC1CC1)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1137599918 LOFKRPOGPFWCNC-SIBVEZHUSA-N 444.575 4.812 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1OC 1149573762 GCAGCDCNQWNWCQ-YRRMMHPESA-N 434.536 4.616 30 10 IJEE C=CCn1c(SCc2ccc(Cl)c(OC)c2)nnc1[C@H]1COc2ccccc2O1 1164611955 USBRCCKOKRAJGN-LJQANCHMSA-N 429.929 4.931 30 10 IJEE C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 1185029041 DOLBOFGPLOHGOY-UHFFFAOYSA-N 440.306 4.906 30 10 IJEE C=CCc1cc(CNCc2cc(Br)ccc2Br)cc(OC)c1O 1202050822 OAAGNDATDGSQRI-UHFFFAOYSA-N 441.163 4.944 30 10 IJEE C#CCOc1cccc(Cl)c1CNC1CCN(Cc2cccc(Br)c2)CC1 1202804632 LINHFDDSLYYHAF-UHFFFAOYSA-N 447.804 4.869 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 1229990379 UODOFKKGCZDIHN-IBGZPJMESA-N 439.357 4.621 30 10 IJEE CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)CC(=O)OC(C)(C)C 1231368426 FWDLLMPIAMEMCP-ILWGZMRPSA-N 427.589 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1246900640 WEAGNDKUEAUHHM-UGKGYDQZSA-N 428.573 4.512 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(Br)cc1 1251403142 JCXREZGPJDOCNP-LIRRHRJNSA-N 441.304 4.509 30 10 IJEE CCN(CC)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 1264204621 BUNGWZXXZCTOSV-AREMUKBSSA-N 427.548 4.950 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)NCCc3cc(Cl)c4c(c3)OCCO4)c2)cc1 1264310264 BXKZPVBSEANOEN-UHFFFAOYSA-N 448.906 4.534 30 10 IJEE N#CCCN(C(=O)CCC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)c1ccccc1 1277313551 BCTOPRMPAKZQOT-UHFFFAOYSA-N 439.821 4.904 30 10 IJEE C#CC[C@]1(C(=O)NCCCc2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1277625363 WTUABQZAJBWGAM-JOCHJYFZSA-N 439.383 4.835 30 10 IJEE C=CCCC1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCCC1 1279011577 REXQYGDCFWGWOM-GOSISDBHSA-N 434.527 4.783 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCCC 1286300551 BEDDEGXZYOZOOX-TZIWHRDSSA-N 444.023 4.623 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CC(C)C)CC1 1286378377 SDLOUXXQOHHJSN-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1sccc1C 1286420386 PHQBPZTXGOZJCL-HXUWFJFHSA-N 448.592 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCC[C@@H]1CCCCO1 1286517741 YHXZSWFTSJXKIU-YADARESESA-N 442.991 4.949 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](CC)O[C@H](C)C1 1286560729 IKBHKIHXEZGYJL-WIRSXHRWSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1C(C)C 1286566494 NCFSGYBKTXDKRR-JZWVFAODSA-N 428.552 4.602 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1286598807 DPKMDBRTSRMZHI-DNVJHFABSA-N 443.680 4.721 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1286659078 JEEFSNONLZOLDO-HXUWFJFHSA-N 431.625 4.526 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccccc1 1286679394 OWIIJGLOHRDDOR-BOMBAVFCSA-N 435.616 4.789 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1286724593 PJZLCVBLVOSZFO-ZJSXRUAMSA-N 435.641 4.944 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1CCC 1286741896 DDXRLVOIJUJVLU-UHFFFAOYSA-N 425.334 4.510 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H](OC)C(C)(C)C 1286744934 NXGVVIVTWAVAKA-JOCHJYFZSA-N 437.563 4.657 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCO[C@H]1C(C)C 1286746404 XCYYZVWLLYWTKW-NOZRDPDXSA-N 431.584 4.518 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1(c2ccccc2C)CC1 1286747136 IALDTIQFISIEGE-UHFFFAOYSA-N 449.624 4.711 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)[C@H]2C[C@H](OCC)C2(C)C)cc1 1286795162 XBIQKDIYYPPERV-GOTSBHOMSA-N 449.599 4.537 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)C[C@H](C)c2nccs2)cc1 1286795364 YUKOGTFVFDZKKU-SFHVURJKSA-N 446.580 4.650 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 1286831296 CNZFEUALSLUCLU-UHFFFAOYSA-N 446.064 4.506 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc3ccccc3o2)n1CC1(C(N)=O)CCCC1 1287597440 HRJKIOXHWXFWDK-UHFFFAOYSA-N 448.571 4.503 30 10 IJEE Cc1cc(C(=O)Nc2c(F)cc(Cl)cc2Br)nn1-c1cccc(C#N)c1 1288051040 CBZOLYRJJVLUBN-UHFFFAOYSA-N 433.668 4.860 30 10 IJEE C=C(CC(C)C)C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1292523920 MTLKIYSQDUPRPW-HXUWFJFHSA-N 430.545 4.784 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Nc4ccccc4)c3)CC2=O)cc1Cl 1292977272 HQEODSLIVGGOOQ-KRWDZBQOSA-N 430.895 4.947 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3c4ccccc4CC[C@H]3C(C)C)ccc2c1=O 1296138034 HHBFYYFBFJRENI-PGRDOPGGSA-N 433.577 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCCC1 1300324212 BLSDVJDKGVSOQQ-RXVVDRJESA-N 446.064 4.802 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1300325426 ZKVUSOAUOBFDLN-SFTDATJTSA-N 439.673 4.847 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1300348329 MOHHKKFFFMWKQY-JOCHJYFZSA-N 449.986 4.983 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](COC)C1 1301018473 DCIVZRLQIADVDF-KRWDZBQOSA-N 444.004 4.992 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)(C)C)CC1 1301056401 AZCYHBAFFQMVPR-UHFFFAOYSA-N 432.012 4.537 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cn(CCCC)nc2C)CC1 1301097246 SYBUZXZBYYMTTR-FGZHOGPDSA-N 440.636 4.706 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(C#N)o2)CC1 1301106176 QXOQMIPRNADRHR-INIZCTEOSA-N 437.931 4.987 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CN2CCCCC2)CC1 1301129793 BKGOHJBUFNPWGK-JOCHJYFZSA-N 437.632 4.690 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)c1ccccc1 1301164259 REOWCQRXBCYNBD-XMMPIXPASA-N 435.616 4.565 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1301208906 HYFVBXUUNZJJPU-QFIPXVFZSA-N 437.632 4.868 30 10 IJEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccs1)Cc1cccs1 1301216195 DXSVNAPVVUXVPM-SFHVURJKSA-N 427.599 4.525 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1301257601 BPUQJGDBIODULG-QFIPXVFZSA-N 439.648 4.560 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N[C@H](C)c1ccccc1 1301309555 FHMGJZFMSHSHKQ-CEMLEFRQSA-N 439.648 4.948 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1301341825 VVVKMCVVWSFFNY-VWLOTQADSA-N 433.556 4.583 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCOC1 1301365814 ZZBOMTHFAXPZIS-CEWLAPEOSA-N 444.645 4.877 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)C(C)C 1301410714 KQCCWCRYOAYLOO-SANMLTNESA-N 447.583 4.672 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](CC)C1 1301619926 AHVRPUMXINZVDX-QGZVFWFLSA-N 439.050 4.758 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3F)c2C#N)C1 1307400648 GQSQATVNTYAJLX-AWEZNQCLSA-N 448.585 4.712 30 10 IJEE C#CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 1307476068 OPYQEJAMVPPSQT-GOSISDBHSA-N 435.705 4.970 30 10 IJEE CC(=O)c1ccc2cc(OS(=O)(=O)c3cc(Br)c(C#N)cc3F)ccc2c1 1309267951 JCZMICJQCJARML-UHFFFAOYSA-N 448.269 4.583 30 10 IJEE C#CCN(C)CCCNC(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1310917957 GBTQMNPPMDJRIK-UHFFFAOYSA-N 446.414 4.818 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1349544901 CGJPSVGPKDCVFF-MHZLTWQESA-N 428.532 4.818 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCOC(F)(F)F 1358897280 WPCJMLGFKZZEGW-KRWDZBQOSA-N 438.494 4.673 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1358910246 IYVNTZSABFZQQR-UHFFFAOYSA-N 429.568 4.808 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1358915139 SSSYUNYSEVAEMD-QHCPKHFHSA-N 439.673 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](CC)OC 1358987263 YUWPOPWAPGCGFF-MRXNPFEDSA-N 426.973 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1359094355 ADXRDDLTKJNHGE-NRJQMVOHSA-N 441.526 4.740 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCc3c(F)cc(F)cc3[C@@H]2C)nnc1C(C)(C)C 1359104711 FHARECXBMKDJOS-MRUHUIDDSA-N 430.543 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCCCCC1 1359108429 NRUFEROGLWEFFN-UHFFFAOYSA-N 436.398 4.523 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(C)CCCO2)CC1 1359162244 JVNHGKHEHDXPJV-HXUWFJFHSA-N 435.341 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359175506 OMHAVEFOVYJPMY-OYRHEFFESA-N 437.632 4.724 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1ccc(OCCC)nc1 1359255290 UFEAKBZOFLIOTR-UHFFFAOYSA-N 444.583 4.872 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(OC)CC2)cc1 1359308783 YXEWSNDHAQLPKK-VWLOTQADSA-N 426.605 4.875 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](COCC)C1 1359309899 HBIUWIWSDRWOTE-OAQYLSRUSA-N 447.583 4.515 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[C@H]2OC)C1 1359316099 IANDWVPEERCKRW-YMPZKCBVSA-N 438.616 4.839 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCSC2(CCOCC2)C1 1359338587 AUCFZHGPPHYXHY-UHFFFAOYSA-N 444.670 4.529 30 10 IJEE Cc1nc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)ccc1-c1cnn(C)c1 1436410221 AHQTZOORLHSFFM-UHFFFAOYSA-N 427.439 4.846 30 10 IJEE Cc1nc(COc2cccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)C)C4)c2)no1 1436522900 HSYXLUHTQBPBIV-HNNXBMFYSA-N 436.537 4.903 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 1441502511 VRTIEIDGYKULNR-BBRMVZONSA-N 445.785 4.532 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 1443048130 FAGBXSLNNRJYFC-IBGZPJMESA-N 427.501 4.720 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C(F)(F)F)cc1 1460041675 MAROWVHBLPLWEZ-LJQANCHMSA-N 434.414 4.799 30 10 IJEE C=C[C@@H](CC(=O)N(C(C)C)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC)c1ccccc1 1462553758 MYFQXEADKOIDGD-ROUUACIJSA-N 442.581 4.767 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 1463539837 FHNNUVQFERZTEB-KRWDZBQOSA-N 444.475 4.503 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1464229593 DHZQXXRQPZRIOL-ZWOKBUDYSA-N 449.567 4.627 30 10 IJEE C#CCN(C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)C1CCCCC1 1464649352 KMQYFASIXNWVLZ-UHFFFAOYSA-N 431.602 4.666 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1cnccc1C)c1ccc2c(c1)OCCO2 1464953047 BTUSOTDVULHGMX-DHZHZOJOSA-N 442.515 4.973 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H](COc2ccccc2)c2ccccc2)n1 1466152372 BRJONNRKQUHQNP-QFIPXVFZSA-N 441.466 4.825 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)C1 1466532532 YFINJEQZGPBGIM-HXUWFJFHSA-N 439.581 4.559 30 10 IJEE C[C@H]1CN(c2cc(F)cc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)C[C@@H](C)O1 1466993046 DQTFLFDVCGDWKU-GRJZNYKUSA-N 436.531 4.743 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4c(Br)ccc(F)c4C3)cc2n1 1467353480 YIFRTQIPAMTCFZ-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3ccccc3Cl)c2CC)CN(C(=O)OC(C)(C)C)C1 1467742245 KGXVZEKLMSRZBK-UHFFFAOYSA-N 444.963 4.840 30 10 IJEE C#CCN(C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)[C@H]1CCCc2ccccc21 1470869500 IFRNOKQMCUURRM-AHWVRZQESA-N 432.564 4.605 30 10 IJEE CC[C@@H](c1ccc(F)cc1)N1CCN(c2c(C#N)cnc3c(OC)cc(OC)cc23)CC1 1472868365 CQBCIHDJFHXBIE-QFIPXVFZSA-N 434.515 4.536 30 10 IJEE C#CCC1(NC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)CCOCC1 1478171855 YBDIZGWADVHXLX-HXUWFJFHSA-N 445.332 4.549 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 1478842746 CSMQYVOSOCMIOG-OAQYLSRUSA-N 443.469 4.648 30 10 IJEE C=CCCSCCNC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 1478936409 XXBGBJALVPOAAF-SFHVURJKSA-N 425.639 4.555 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCCC2)cn1 1501253120 HMKMNZXQOWJAGL-UHFFFAOYSA-N 430.556 4.819 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507569412 FONIOWRDEXIMRD-HSZRJFAPSA-N 433.644 4.568 30 10 IJEE C#CCCCn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507600484 ZJCVKTJOVJZZFI-PUZFROQSSA-N 441.620 4.645 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC1(C)C 1507702250 SKWFDVRXJWNNNC-QFIPXVFZSA-N 431.559 4.869 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1507752917 GIWODDFHXYQVDF-KRWDZBQOSA-N 431.675 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H](CC)N1CCc2ccccc2C1 1507817691 RHWDLQIKWKOWCO-VWLOTQADSA-N 444.627 4.503 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCN(C(C)C)CC1 1507822826 KCXNPDHKXRMNOO-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)C2CC2)CC1 1507908714 CBYVLYVONFQJSF-SANMLTNESA-N 438.616 4.718 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)CN2CCCC2)CC1 1507909299 ZSKJKXHDIZGZNL-QFIPXVFZSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1507922697 GNKGXHZZZCAUNE-UHFFFAOYSA-N 426.590 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCC[C@H]1C 1508014110 VZGLAVRHHJDSGT-MRXNPFEDSA-N 448.384 4.509 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)c1ccc(C)cc1 1508021219 UXKFRONUASRDME-NRFANRHFSA-N 426.568 4.807 30 10 IJEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)CCO1 1514383317 ATWHOBQGFZDQNJ-OAQYLSRUSA-N 425.577 4.560 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1521820115 XQSCSFBZEWIOSU-UPTIQUDWSA-N 428.301 4.977 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1CCC)c1ccc(Br)cc1 1525055091 WRUQXXFOUOBRGQ-MZYLBHOOSA-N 439.397 4.788 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)cc2C1=O 1528035973 NPARMAYOJQZQMX-FQEVSTJZSA-N 436.920 4.703 30 10 IJEE C#C[C@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1ccc(Cl)cc1F 1528523468 MYAWTXAAXNXHFO-KRWDZBQOSA-N 429.282 4.695 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OCCCOC)cc1 1529485955 RHHRWKYSUXFYGC-UHFFFAOYSA-N 436.321 4.832 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)CC2 1529851571 YWMHABFCZITHMZ-UETJRYKRSA-N 427.548 4.718 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(c3ccc(C)c(Br)c3)C(C)C)cc2C1=O 1537968850 FRALMTCLIKGLTB-UHFFFAOYSA-N 441.325 4.595 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1539246705 PRWSCRHULKHNKP-VWNXMTODSA-N 432.612 4.767 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCC1CC(OCC)C1 1539392851 WCMVHFCFEHGRDD-UHFFFAOYSA-N 426.580 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCC[C@H](C)C1 1539652114 NXSWSVMWFHYJKA-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(COCC(F)(F)F)c1 1539678304 PAEIHSONIDTDDM-LJQANCHMSA-N 438.494 4.659 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539758451 NKYZDBISNCIQKT-LJQANCHMSA-N 447.505 4.653 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCCCOC)CC1 1539836517 VCXOBHWNRMFLOG-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539898043 OAGSWQXBCDHQBG-DEOSSOPVSA-N 445.007 4.854 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 1539973775 CVVOYUBYBQKNMQ-UHFFFAOYSA-N 432.012 4.787 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(OC)C1 1539974923 IOJLHJJQJOTXEI-CYFREDJKSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1539989346 UUZYIAPHBRQBPV-VQIMIIECSA-N 445.995 4.914 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COCc1ccccc1 1540092570 MVBAUOUGHFBXMU-KSEOMHKRSA-N 426.605 4.672 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(F)(F)Br)C1CC1 1540113998 GHOHPTYPDOZHCR-UHFFFAOYSA-N 441.320 4.616 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1Cc1oc(CC)nc1C 1540138037 ZHOCKHRWIDKWPR-UHFFFAOYSA-N 446.530 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1CC1CCOCC1 1540147748 NVNASGRTCXJQHJ-UHFFFAOYSA-N 438.597 4.846 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN(CC(C)C)C1 1540178101 XGYUTVQMLXYCEC-YTFSRNRJSA-N 443.680 4.743 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H](O)C1 1540184996 JIYOGNWQXBRIOS-GHTZIAJQSA-N 440.975 4.978 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1540865468 HZZBPRGEAHHJQA-IBGZPJMESA-N 435.616 4.561 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc3c(cc2Br)OCO3)C(F)(F)F)cc1 1544661205 BMWFYZCEWFSGKH-INIZCTEOSA-N 427.172 4.620 30 10 IJEE C#CC[C@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])c1ccccc1 1559143904 QEFLOYOBLGJUKE-XTXLOEGASA-N 441.553 4.628 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(C(F)(F)F)cc1 1561402769 SCJFMGQLQHVIDV-FQEVSTJZSA-N 426.504 4.753 30 10 IJEE CCC[C@@H]1CCc2nc(NC(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)sc2C1 1562698343 CBMSREIVPNQSIN-OAHLLOKOSA-N 434.569 4.642 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 1564406754 NGATVMUZELXHSY-UYAOXDASSA-N 437.506 4.946 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)c1ccc(F)c(F)c1 1567780561 KDIPBBSZUOZJQK-KRWDZBQOSA-N 444.356 4.828 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(Cl)c2)CCCCC1 1569348234 ROQWUTKGZFJALS-HXUWFJFHSA-N 432.992 4.965 30 10 IJEE C=C[C@@H](CC(=O)N[C@@H](CC(=O)OCC)c1cccc(Br)c1)c1ccccc1 1583273065 QBVHXKDQGUWDFD-JXFKEZNVSA-N 430.342 4.920 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1OC 1586814751 CUJXKCDWJRRTEG-ZRDIBKRKSA-N 432.545 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)c1cccs1 1587556868 VURWXMXPOSVBDC-SFHVURJKSA-N 435.597 4.644 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(CCC#N)CCC(C)C 1587813815 VVBXEFWUTMSHPG-UHFFFAOYSA-N 428.378 4.887 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Cc2c(C)cc(C)c(Br)c2C)cc1 1587964768 OZHZEOZOLVEBQZ-UHFFFAOYSA-N 430.346 4.863 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)C(C)C 1589171732 QJSRFEPHAWPMHV-RPWUZVMVSA-N 426.630 4.675 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1(OCC)CCCC1 1589242468 BAKGSDMZFRAWFJ-RUZDIDTESA-N 436.600 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCC(C)(C)C1 1589570108 TVTRPEOPOCEZEU-GCJKJVERSA-N 428.552 4.604 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1589581354 RMVQWMXFXQFGLY-OAIJQJBHSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC1CCOCC1 1593600278 DPJBCVWBSIQHNX-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](C)OC(C)(C)C1 1593712064 QYWXZWQHEDIBIJ-MSOLQXFVSA-N 444.645 4.728 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1594202617 SFROLIKNYAPTQQ-AOMKIAJQSA-N 447.421 4.907 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@@H](C)C1 1594559573 MVHCCGMKNRDLDS-WOJBJXKFSA-N 448.615 4.811 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1594830631 ZMERSKCHFVGFAE-QHCPKHFHSA-N 425.602 4.602 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCN1CCCCC1)C1CC1 1595037400 CHFISFKMWWTXPL-UHFFFAOYSA-N 429.996 4.638 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2ccccc2C1)C(C)C 1595165742 LKODYTQFLYJCME-VWLOTQADSA-N 442.611 4.601 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)Cc1scnc1C 1595658371 BSFRVNXZWGYDMG-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CC(C)(C)C2)cn1 1598357132 AWNVWONTFITFAR-UHFFFAOYSA-N 429.572 4.803 30 10 IJEE C=CCn1c(SCC2CCCCC2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 1613294542 GJSHJAMOSPEOQI-UHFFFAOYSA-N 448.658 4.834 30 10 IJEE C=C[C@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1618253501 OJFAWQVSSMNZAM-XXBNENTESA-N 437.584 4.795 30 10 IJEE CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 1622897418 DBIQDZNJAYEFMJ-TZIWHRDSSA-N 438.959 4.906 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl 1623168929 DGZXQCZMUOLTTJ-UHFFFAOYSA-N 431.678 4.998 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1 1625394685 NPLOUAPPNBTSKE-CZIWCDLHSA-N 428.872 4.971 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccc2)nc1 1626124481 BLXSGAIYWMMKDQ-HXUWFJFHSA-N 425.529 4.849 30 10 IJEE C=CCOc1ccc(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1OC 1630907572 IXHZMZQUHQXEGI-UHFFFAOYSA-N 425.312 4.549 30 10 IJEE COC(=O)c1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 1634169634 HXNHKMVCXQWNJI-GJZGRUSLSA-N 434.521 4.590 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1c(Br)cncc1Br 1635490839 XISGFXKVLUFNPP-UHFFFAOYSA-N 439.151 4.504 30 10 IJEE C=CCC1(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CCCC1 1636473652 CUAAQYGUNGQQLT-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE Cc1ccc(C#N)cc1C(=O)Nc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cs1 1641862744 IFCRPVYHJGRWEE-UHFFFAOYSA-N 426.542 4.690 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CCC[C@@]2(CCOC2)O1 1643491156 LWUYWXATVHJECB-NQIIRXRSSA-N 435.977 4.517 30 10 IJEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CCCCC1 1645275695 DNXGQJBSYMIPMU-UHFFFAOYSA-N 430.957 4.597 30 10 IJEE CC[C@H](CO)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)C1CCC(C(C)(C)C)CC1 1647855983 AGGOQQDKXHRLLK-JYAXOCDNSA-N 448.611 4.901 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSC(C)(C)C(C)C)c(C(=O)OCC)c1C 1652774488 SNDRFAKSSAJITD-UHFFFAOYSA-N 427.588 4.682 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)Cc2ccc(C)cc2F)c1 1653370528 FHZAPQGCKSHTHA-UHFFFAOYSA-N 440.492 4.839 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](CN(C)Cc2ccccc2)C(C)C)n(C2CCCC2)c1C 1653372288 GJLLJQBGAFEUKD-VWLOTQADSA-N 449.643 4.776 30 10 IJEE C[C@@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 1654361965 CXNKWFPPESWJOY-LLVKDONJSA-N 438.343 4.710 30 10 IJEE N#Cc1ccccc1S(=O)(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 1660830482 BJOFNXUJZIEBOP-HXUWFJFHSA-N 445.313 4.528 30 10 IJEE C=CCOc1c(Cl)cc(CNCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC 1663263759 IRSJKAQXVBPDTH-SJLPKXTDSA-N 438.996 4.896 30 10 IJEE C=CCN(Cc1ccccc1Oc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1663845534 UFQNEZBZMYGGNE-MRXNPFEDSA-N 426.365 4.961 30 10 IJEE Cc1cccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N 1666731933 GJUYZLUPKSYFBJ-HGHGUNKESA-N 440.565 4.611 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CCCC1 1667575089 FSPPUALZUMEHMB-YYADALCUSA-N 446.617 4.538 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2 1668335872 PJMSCEUVOGDSED-BLIXFSHQSA-N 428.577 4.720 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)c1 1668736337 FZMIPUMTBMRISI-FQEVSTJZSA-N 429.467 4.965 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1F 1674036068 KDTQNUYONWQFTF-YADHBBJMSA-N 449.904 4.910 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CC1 1675820338 YRKFYFVQTZGLIO-FQEVSTJZSA-N 448.419 4.962 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 1677501865 ZRKUOLJMYTZBIQ-HXUWFJFHSA-N 443.473 4.963 30 10 IJEE C#CC[C@H](NC(=O)NCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 1679190878 NKGGPQKLNYSAQC-PKTZIBPZSA-N 435.568 4.576 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1680405134 VSCRFJHVKGYXMZ-QAPCUYQASA-N 425.932 4.536 30 10 IJEE C=CCCC1(CNC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCCC1 1684101152 YZZXWHTVAJTKJR-UHFFFAOYSA-N 433.040 4.678 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1 1684602417 FYTBEDFWHHJVIF-GOSISDBHSA-N 447.366 4.706 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(C)CCCS1 1689839021 BUBMOVRVDOBKDB-HOYKHHGWSA-N 436.581 4.861 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCO[C@H]1C(C)C 1689973736 NYKPHMVVIPIOGD-BWKNWUBXSA-N 438.616 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1CC(C)(C)C1 1690263007 WORQKRXORGTNJV-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)CCOC)CC1 1690384063 BZJMOFZLFVRKOT-UHFFFAOYSA-N 430.618 4.798 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690452107 WVWSDMGLUZKIMH-QKNQBKEWSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1690463129 VXPSIEUTGBPRPU-QHCPKHFHSA-N 437.632 4.629 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690472742 UVVZVXHCCAHSAE-NHCUHLMSSA-N 441.595 4.836 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2c(ccnc2O)C1 1690476541 GNXLEMSHTWWHFG-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1c(C)noc1C 1690518243 BDHNKUQREQTQGP-LLVKDONJSA-N 436.379 4.800 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCC1 1690573718 AVRXVPBQJYQGCI-UHFFFAOYSA-N 446.523 4.716 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCc2cc(F)ccc2C1)C(C)C 1690581050 JYXAQYDJEUFISV-HSZRJFAPSA-N 425.596 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 1705697000 RUECZLLPTCXETR-PTLVVNQVSA-N 445.007 4.975 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1SC 1705706679 YIVCQLYMNOTTDG-ZJSXRUAMSA-N 449.624 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1705713248 YLKIEIXAOXIOGN-SFHVURJKSA-N 443.592 4.517 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705761091 ZXVNQMHGKLEKDG-ZJPYXAASSA-N 436.000 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1705766547 DPQJDMPFKIWUIA-GOSISDBHSA-N 442.336 4.970 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1705803198 IGDOHHIHYAEOMS-UHFFFAOYSA-N 447.583 4.910 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1705811909 NATFRZVALBEIGC-GOSISDBHSA-N 444.551 4.645 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1CCO[C@H](C)C1 1705863241 LOLXZYQIAFWXED-PKTZIBPZSA-N 448.615 4.538 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CC[C@@H]1CCOC1 1705878970 IKWICOPINQAHRS-GOSISDBHSA-N 426.948 4.853 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCc1c(C)cccc1C 1705880412 FEJPDTSNGHHKLJ-UHFFFAOYSA-N 429.568 4.971 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC2CCC(OC)CC2)C1 1705919773 KQGKPMUOTAXBDX-FOJYNEPKSA-N 438.616 4.884 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCOC[C@@H]1C 1705940732 NRUXJUYSFZVRLF-INIZCTEOSA-N 441.626 4.521 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)C1CC1 1706079224 GVQQOKCEWUEAST-OUFMZXHOSA-N 435.616 4.986 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1 1706908661 FLSNAGBFUHEHAL-UZLBHIALSA-N 429.565 4.583 30 10 IJEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1708036440 ALKSQARDSWOELZ-SZNDQCEHSA-N 434.371 4.543 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCS1 1722422593 ZYWNEEAUPBMNKD-MRXNPFEDSA-N 439.412 4.624 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1722497229 SVRBHFCYIRDNAI-YLJYHZDGSA-N 432.490 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(F)cccc1Cl 1722516196 WIDYRGDKHIPYSE-UHFFFAOYSA-N 447.967 4.513 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722586274 ASLCCROYXCVPNU-PMACEKPBSA-N 434.632 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC)(CC)C1 1722588610 BJBWZJGULZJNOS-UHFFFAOYSA-N 429.634 4.888 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](c3ccccc3)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1722593550 VPYJXXATWRRPMU-RQNQAMLKSA-N 438.616 4.915 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN1CCCC1 1722655814 RWHWPQCYNBQBFU-HXUWFJFHSA-N 444.583 4.643 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H]1C[C@H](F)C1 1722678883 GJHBBGUKSJIKQQ-LNLFQRSKSA-N 432.609 4.908 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(C)CCC2)C1 1722718724 VCYDULLVAVGHLU-HXUWFJFHSA-N 440.588 4.712 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1730355289 HDTZRYJLWDBJJT-NZSAHSFTSA-N 427.618 4.829 30 10 IJEE COCCN(CCC#N)c1nnc(CC2CCCC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1730763397 GFFOZVVGRSPPIC-AQYVVDRMSA-N 425.552 4.635 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740570333 PFHMYENXNOJWRE-GHTZIAJQSA-N 433.383 4.777 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@H](c1ccsc1)N(CC)CC 1740652381 ZJAWUEWFWMJSGO-XMMPIXPASA-N 445.636 4.861 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CC(F)(F)CO1 1740663619 NOIADOFSVUJWKM-ZDUSSCGKSA-N 436.915 4.697 30 10 IJEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CCCCC2)C1 1740719791 LNUPPISFPLSQQA-UHFFFAOYSA-N 438.641 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCOC1 1740768708 BMGBEQXQWDWGGB-CQSZACIVSA-N 439.785 4.800 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](c1cccs1)N1CCCC1 1740772722 LPABNTQFQQIXAK-WOJBJXKFSA-N 429.634 4.821 30 10 IJEE C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1740782707 MIOSSVUMASOWQI-YEJXKQKISA-N 433.915 4.513 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1740787133 BBQOWYKXAUVPIH-NHCUHLMSSA-N 449.599 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740849505 LBJXRQJPSZYNTG-HXUWFJFHSA-N 448.590 4.720 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740868250 HJOQEIDIAVAWEM-YYWHXJBOSA-N 442.007 4.843 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)C1CC1 1740939402 WDRNKSZRZSFCTM-JOCHJYFZSA-N 447.004 4.613 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(F)CCC2)C1 1740973088 RBCIIVFQWFFIAB-PXNSSMCTSA-N 432.515 4.621 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCCN2CCC)C1 1740975033 RDRFWSIBWNUWOU-FCHUYYIVSA-N 444.023 4.644 30 10 IJEE CCN(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)c1ccco1 1746080941 DEYPQWVFXGNPFY-CYFREDJKSA-N 426.609 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cc(COC(C)(C)C)on1 1748650694 CJWPEDMLUZXXEV-INIZCTEOSA-N 433.512 4.501 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1Cl 1748734158 ABNKWANSZHUAEL-UHFFFAOYSA-N 432.753 4.739 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1749033051 YICAPCYKLHFQFC-KNQAVFIVSA-N 434.613 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCC1(F)F 1749071801 RYPRSWFLEGPQIQ-WMZHIEFXSA-N 428.527 4.695 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1749091904 HPTGCKWLBGPKDR-KRWDZBQOSA-N 448.315 4.597 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cl)=C(Cl)C1 1749092348 TWSVMGLMWOFBAQ-UHFFFAOYSA-N 439.144 4.625 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1749214331 XLLJWBSXQIAMAV-OALUTQOASA-N 448.608 4.872 30 10 IJEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1749235050 NDHWUEPRVVEGBZ-LJQANCHMSA-N 429.634 4.787 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749281535 GIHFYHPWEPFHST-SFHVURJKSA-N 446.064 4.942 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCO1 1749386978 QMYNCGGIVPQTIY-UGKGYDQZSA-N 426.561 4.542 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1CSC 1749391747 SAGJVYFXXNMBEO-INIZCTEOSA-N 438.439 4.734 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1749447718 MFDNUEVPBPLCGV-QFIPXVFZSA-N 441.620 4.532 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1 1749537195 BRQNVPCRFUUBSP-FGZHOGPDSA-N 431.584 4.662 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)COC 1749563443 HMYHUNRHYUHUIW-UHFFFAOYSA-N 425.396 4.620 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC)C1CCCC1 1749746382 XRUIYPVRHHLFQW-UHFFFAOYSA-N 438.439 4.734 30 10 IJEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCCC2)CC1 1750481105 HXAVTWHKWDMAFR-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1c(C)noc1C 1760102008 XOGOQQVSDWYGIH-DOTOQJQBSA-N 428.540 4.668 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](c1ccccc1)N(C)C 1760104060 RFBFCTYHMOHPHO-DXIQSLLYSA-N 447.652 4.892 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C2CCOCC2)C1 1760141660 DLYJKOOONDFYCC-QHCPKHFHSA-N 436.600 4.530 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC=C)Cc1cccc(C#N)c1 1760148120 PGHFWRGATXNSQY-UHFFFAOYSA-N 449.356 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)C(F)(F)F 1760209723 HLCFHVJUBPMGST-MRXNPFEDSA-N 436.453 4.609 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)c1ncc(C)s1 1760214296 JBGLBNZWBMRMPM-SFHVURJKSA-N 440.576 4.525 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCC2(CC2)C1 1760286649 QLNKPRVVTWKTFY-UHFFFAOYSA-N 433.046 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC[C@H]1C[C@H](F)C1 1760299462 VQCDXNVDMYUJKU-PMAPCBKXSA-N 428.577 4.709 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H](C)N(C)C1CC1 1760331946 QSBRGHBBMZTYHX-MRXNPFEDSA-N 432.410 4.593 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCC(C)CC1 1760333788 JDHWSZUTBFVCGK-UHFFFAOYSA-N 434.632 4.961 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1760338671 OIGZOOPBGGJYKW-ZJSXRUAMSA-N 445.007 4.653 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1Cc1ccccc1 1760339236 ARJWJNGBALNZAB-HSZRJFAPSA-N 435.641 4.997 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)CC1 1760341648 NOECNNOMKLHRNF-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1760412490 LUJIYIPNOFKSEK-MSOLQXFVSA-N 430.980 4.695 30 10 IJEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1760440713 OWXDUFCJOSWSKI-VQIMIIECSA-N 437.371 4.633 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C)C1CC1 1760472305 DLQPHANBVLYBEP-UHFFFAOYSA-N 440.592 4.578 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCN1CCCC(C)(C)C1 1760486268 ISUPYSGYDMKYMV-UHFFFAOYSA-N 438.645 4.660 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1scnc1C 1760508016 BEJYKZXBVFCSKG-UHFFFAOYSA-N 438.782 4.948 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CCC)C1 1760537900 SVQLWAMMUAIBCD-IERDGZPVSA-N 439.387 4.584 30 10 IJEE CC(C)(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1(C)CCOCC1 1760745620 BWEJYCIAPGPDDG-UHFFFAOYSA-N 433.600 4.849 30 10 IJEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCCCC2)C1 1765412922 BONHMPPCMKGGDV-JOCHJYFZSA-N 448.615 4.530 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)CCCC1 1768237532 HZGVKAMJDGTDQP-IBGZPJMESA-N 437.588 4.560 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccccc3)n2Cc2sccc2Br)CC1 1770753098 BJCXSIZIXPOEAM-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE CCCCCCCCn1cc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)c(=O)cc1C(=O)O 1857890347 SJYWWAOGVSKYEO-LJQANCHMSA-N 442.556 4.930 30 10 IJEE COc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccccc2F)c1 1859405626 LEMJFRZDFBTMEB-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1C 1860304619 UGPMYGYMWVUPMM-VWLOTQADSA-N 441.579 4.985 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1C(=O)O)c1ccccc1Cl 1862434079 RBWATPULQNEXAV-OAQYLSRUSA-N 447.874 4.817 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862482646 POLQRPUTCSBCCD-FQEVSTJZSA-N 447.362 4.832 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccccc2C)cc1 1862515823 VTNBRWINPBEKEM-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862538099 DBRYWIFTGWZQSZ-BUXKBTBVSA-N 434.319 4.515 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591065 CMCCTHGMGSNKSC-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862601319 BIHPGIRLFNUQOR-QRQCRPRQSA-N 439.508 4.565 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862614804 FULPOTOATXGYTK-HSZRJFAPSA-N 445.563 4.605 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(O)c1 1862725825 SPXWYPNPWNBVPN-QHCPKHFHSA-N 429.472 4.753 30 10 IJEE Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862944861 JOYQKMHIOIHPDQ-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3cccnc3)C2)nc(-c2ccccc2C)n1 1869151459 CNBRIYNYLUGGND-QHCPKHFHSA-N 427.552 4.603 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)cn1CC 1870663803 XHALZYNEWUKREW-FQEVSTJZSA-N 437.584 4.573 30 10 IJEE CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871403584 ZYASZBPKFVDXEW-XYLCRUHJSA-N 444.487 4.811 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871807136 BQSZTIVTXGSRKA-IIBYNOLFSA-N 434.989 4.879 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872765194 JPMIKTWZZKRAMH-ZAOIQFLMSA-N 432.501 4.803 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 1873405123 LBJJGKBHEJPRPB-UHFFFAOYSA-N 447.416 4.969 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OCC)c(OCC)c1)n2CC 1873656124 NJDFIOPFHPFMTK-UHFFFAOYSA-N 449.555 4.679 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cccs1 1874205108 JUAGDIMAWKQTMF-KEBDBYFISA-N 443.381 4.582 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(OC)c(O)c1 1874249868 LUUWWQTXIPWEBI-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccc1OC(C)C 1874295026 GKKSPZNLUQXGGK-HYARGMPZSA-N 425.514 4.559 30 10 IJEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2/N=C/c2cccn2C)cc1 1874345732 CWLSKYBWBQMWQW-KOEQRZSOSA-N 431.565 4.721 30 10 IJEE CCOc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCC)cc1OCC 1874353684 WRFWCVDLEQRHPQ-BUVRLJJBSA-N 440.569 4.787 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2cccc3ccccc23)c1C 1874528725 XSJMSCVFAVBHSM-AFUMVMLFSA-N 429.549 4.970 30 10 IJEE C[C@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1)c1ccccc1 1874596993 OIHQULIZTQYUPG-RDELFYGPSA-N 443.499 4.610 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(OC)c2)c1 1874605984 PBNDLTCBHRRBKA-XUDAUXSOSA-N 445.515 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)C[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)CS2 1901458282 BKXXHECNYCDJIE-OAQYLSRUSA-N 437.606 4.555 30 10 IJEE C=C([C@H](NCC)[C@@H](O)c1cc(Br)c(Br)s1)[Si](C)(C)C 1922967759 INMSPNBQVFBXAG-RYUDHWBXSA-N 427.278 4.718 30 10 IJEE N#Cc1ccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c(F)c1 1952727222 WSPLSJSGQOSMPP-GJZUVCINSA-N 442.446 4.536 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959029870 IALKECHLBLKJOD-RDPSFJRHSA-N 439.487 4.918 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2cc(Br)cnc12 1963800544 AXAUEMJXLXGOOX-MRXNPFEDSA-N 434.334 4.795 30 10 IJEE C[C@@]1(Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OCc2ccccc2)C1 1999973100 ZNQMQTPFWZAUIJ-HXUWFJFHSA-N 432.293 4.673 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 2045248348 ICPKYNCQAWWOQB-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE C[C@@H]1CC[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@]1(C#N)NC1CC1 2055583367 IXEUPAMDKBAGTK-UIUQJESISA-N 430.640 4.824 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NC1(C#N)CCCCCCC1 2060784480 UYAWTDYJDVPPPC-NRFANRHFSA-N 443.588 4.609 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1)NCCC 2065379309 AFDMCMJVXJZKTF-GOTSBHOMSA-N 446.632 4.932 30 10 IJEE CC[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C)c(C=NO)c1I 2080037305 YXUAIQMQVMACPP-CYBMUJFWSA-N 437.203 4.622 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2102878594 SKZUUMDUBDWCMZ-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE C#CCN(c1cc(Cl)c(Br)cc1N)C1CCN(C(=O)OC(C)(C)C)CC1 2106714878 RUPPPEGUFLAYNF-UHFFFAOYSA-N 442.785 4.524 30 10 IJEE Cc1cc(C)c(C#N)c(Nc2ccc(Br)cc2I)n1 2231655475 JPMULEIWVOAVHU-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@@H](N)C#Cc1ccccc1Br)C2 2235747605 REJPRZXKNORGFB-FHWLQOOXSA-N 433.390 4.696 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1CC#N 2243925486 WQBPOYPGBVSLCZ-UQBPGWFLSA-N 445.563 4.844 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(OC)c1 2266736423 RFSIDXYKTQZXNA-FUHWJXTLSA-N 427.383 4.968 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H]2CC[C@@H]2OCc2ccccc2)c1 2281940484 PSUVQQBOJXXIEH-ZEQRLZLVSA-N 449.400 4.587 30 10 IJEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 2296124595 KEULLOFBYQLEAI-HSZRJFAPSA-N 426.472 4.581 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)C1CCCCC1 2296284865 VKRBZKBRKQMUFT-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2ccc(Br)cc2)CC12CCCC2 2296286241 JGMUZSJIQNSCQV-HKUYNNGSSA-N 434.374 4.731 30 10 IJEE N#Cc1cccc(CSc2cc(I)ccc2Br)n1 2316466268 WTKJYZSYNCDHRC-UHFFFAOYSA-N 431.096 4.613 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2317318297 OUAMIUZBMHXPRN-OBTVHEKISA-N 439.644 4.574 30 10 IJEE C=CCN1C(=O)COc2ccc(NC(=O)C=Cc3ccc(OCc4ccccc4)cc3)cc21 2320465783 YETSEQYWDYNILM-UHFFFAOYSA-N 440.499 4.829 30 10 IJEE Oc1ccc2ccccc2c1C=Nn1c(S)nnc1CCCOc1ccccc1Cl 2322234811 BVBAATBEXTXNHM-UHFFFAOYSA-N 438.940 4.973 30 10 IJEE O=C(COc1ccccc1C=CC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 2322667482 KXAWTZDNHHVUDF-UHFFFAOYSA-N 433.435 4.511 30 10 IJEE Cc1c(OC(=O)c2ccc(Br)cc2)ccc2c1OC(=Cc1ccccn1)C2=O 2322708343 XKFHACPTXGUXMN-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)c1 2324014900 POGJFHAIQZOVLE-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c1 2324851034 WDRCZIAMPHSXRS-UHFFFAOYSA-N 436.435 4.917 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2325302028 JKHUCXLVPJPTMR-HNNXBMFYSA-N 430.485 4.950 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)cc(C)c3C2=O)o1 2325528768 CCOQLYMEOLHUIU-UHFFFAOYSA-N 425.387 4.808 30 10 IJEE C=CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)cc1O 2326606400 KOFQUOAIBYAQGW-UHFFFAOYSA-N 430.533 4.788 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)n2N=Cc2ccccc2)cc1 2329936520 VQMUXHUQZMIEIF-UHFFFAOYSA-N 441.560 4.790 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)=Cc1cccc(Cl)c1 2330122115 SWYYSYRQIWUHGL-HSZRJFAPSA-N 440.946 4.811 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1cnccn1 2331834716 DLXLWNJQXDCVDW-UHFFFAOYSA-N 438.867 4.653 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 2331860834 WGMKWTCKVBVJMG-LJQANCHMSA-N 436.247 4.882 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339544281 DIHOKSFYONDYFI-RTBURBONSA-N 443.397 4.974 30 10 IJEE CC#CCN(C[C@@H](NC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2363118220 IUYFWWDFUYKZCR-LJQANCHMSA-N 437.378 4.511 30 10 IJEE CN[C@H](C#C[C@H]1CC1(C)C)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2365093810 QGYYZADJKLSFGS-QXAKKESOSA-N 435.406 4.522 30 10 IJEE C#CCCCCC[C@H](OCC(=O)O)c1sc(Cl)cc1I 2366709777 LRSAUCIKKVIFNG-NSHDSACASA-N 426.703 4.732 30 10 IJEE Cc1cc(CNc2cc(Cl)cnc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369612908 JWXHUEBTCIJJHD-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE CC1(C)OB(c2ccc(CO[C@@H]3CCCCC3(F)F)cc2Br)OC1(C)C 2377305992 FZVLDDXNCZZRFQ-MRXNPFEDSA-N 431.126 4.843 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(O)C#Cc1cccc(Br)c1 2381071913 HTVOKIXKVOMJSF-DVRVPYBTSA-N 434.374 4.635 30 10 IJEE Cc1cc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)ccc1[N+](=O)[O-] 2609984 PNIDCZXBBXWRGT-NSHDSACASA-N 429.523 4.708 30 10 IJEE COCC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccc1Br 15980039 FYDRKLSGNBUKJM-QQGUOSOASA-N 434.334 4.548 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)c1 33423678 FPLNBTPJNYZJQA-QFIPXVFZSA-N 435.451 4.986 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2cccc(OC)c2)C4=O)cc1 41656767 QLXFRPCSICRNDD-MYYYXRDXSA-N 443.499 4.715 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)no1 102505554 GVQABCUZZFYYQO-LYHOESIGSA-N 429.259 4.916 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccccc3)c(OC)c2)C2=C1CCCC2=O 169929966 GLLSUQAWUMCEAW-XMMPIXPASA-N 436.577 4.923 30 10 IJEE CCCCCCOc1c(OC)cc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc1[N+](=O)[O-] 169942014 ANRMBBXOGCZGSZ-MTJSOVHGSA-N 434.518 4.976 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(O)cc2)c(C)c1 169962972 BYMARNAREMXBJK-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)c1 170038663 ATHLOUJGTKBHAX-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)cc1 170059273 NJYCGTPRODPFAU-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2c2ccccc2)c1 170141693 QGBIKBJAICPHHZ-DEOSSOPVSA-N 440.499 4.607 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(OC(C)C)cc1 170152519 HQQPFZTZASUIFN-HJPURHCSSA-N 435.520 4.786 30 10 IJEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(OCC(C)C)cc2)C1=O 170154145 OVBQGRDZQKVOAQ-UHFFFAOYSA-N 440.927 4.761 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1C 170162209 VGZHJRNEYLKJDZ-LAUBAEHRSA-N 441.549 4.603 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)cc1 170184161 WWDOASOSVMFCAC-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)c1 170185117 VECBKQTUHYXYNP-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1cccc2ccccc12 170221181 QLLKGIFBQUIMAM-HSZRJFAPSA-N 431.488 4.845 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccccc3)ccc2O1 170221904 JEYMRYBXYSJSAH-NYHFZMIOSA-N 431.513 4.850 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)cc1 170237677 UVMDRMVEZUDUNC-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(F)cc1 170243770 CNADIJKQUPVVKE-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 170268601 LVGJQGDRANFPOY-DEOSSOPVSA-N 446.547 4.599 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccco2)c1 170285874 UDIGHADPGYOOHX-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170306007 CPSJWENXGDRNRW-QGZVFWFLSA-N 430.432 4.722 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Br)c3)[C@@H]2c2ccncc2)cc1 170358711 ZYQYSEDFDBSXDY-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE N#Cc1ccc(CNCc2cc(Br)ccc2OCc2ccccn2)c(F)c1 237709125 IGYLVSSRAYUXFV-UHFFFAOYSA-N 426.289 4.724 30 10 IJEE N#CC1(C(=O)Nc2ccc(I)c(Br)c2)CCCCCC1 380015327 FIIXOVSLVNUDCA-UHFFFAOYSA-N 447.114 4.856 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 460388059 NOOBMJIUZGEFET-UHFFFAOYSA-N 435.547 4.697 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(F)c(Br)cc2Cl)cc1 474420694 ZCLOEUDOOOQPSB-UHFFFAOYSA-N 426.673 4.801 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 476127398 BBPBLNNIGZVNEW-UHFFFAOYSA-N 444.572 4.717 30 10 IJEE CCN(CC)CC1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 481658808 NFFSWPLEFZDXKN-UHFFFAOYSA-N 438.547 4.862 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1cc(OCc3ccccc3)ccc1[N+](=O)[O-])CCCC2 486454529 ZMJIVVKIPMLZNR-UHFFFAOYSA-N 428.448 4.572 30 10 IJEE C[C@H](N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 487910019 GIGYIEYGQRWJKE-HOTGVXAUSA-N 432.549 4.974 30 10 IJEE COc1cc(C#N)ccc1OCCCC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 505216160 MPTXDPGIUQWVND-UHFFFAOYSA-N 444.413 4.569 30 10 IJEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 508812058 VBVGNNYNVJTQCS-HXUWFJFHSA-N 439.441 4.599 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 543884971 QENLFRQKTLEPFM-UHFFFAOYSA-N 436.859 4.526 30 10 IJEE CCN(CC)[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 609253175 RBMPCGGENHOFRK-FQEVSTJZSA-N 436.453 4.598 30 10 IJEE C[C@@]1(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCCN1C(=O)c1ccccc1 609727331 JODGEEISANXMGA-MHZLTWQESA-N 439.515 4.771 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 677811582 BTHSINWAQFRWPA-AWEZNQCLSA-N 438.452 4.599 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H]1c1cnn(C)c1 685539682 ZFBACFCDMVLCDW-XLIONFOSSA-N 440.979 4.949 30 10 IJEE C=C(COC(C)C)[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710541822 VOCIPTNFGBGFBD-HSZRJFAPSA-N 445.648 4.505 30 10 IJEE N#C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CCN1C1CC1 732698679 DQOQFIABNJNHHI-INIZCTEOSA-N 448.420 4.841 30 10 IJEE N#Cc1cc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)ccc1N1CCC(O)CC1 762242570 SDQRLTGEQJUPKJ-XDHOZWIPSA-N 449.860 4.757 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN(C[C@H]2CCCO2)C2CCCC2)c1=S 765039040 OSIKZQDTZOZKRH-OAQYLSRUSA-N 428.602 4.560 30 10 IJEE COc1ccc(-c2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)nc(O)c2C#N)cc1 769661033 STGHZYMRCSRSCF-ZDUSSCGKSA-N 431.477 4.633 30 10 IJEE C#CCn1ccc(CN(CCOC)[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)n1 789324788 RXJMUIDZFIDWOG-OAHLLOKOSA-N 433.339 4.688 30 10 IJEE Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 797977339 MJAZIODZIYNDPW-OAQYLSRUSA-N 428.410 4.855 30 10 IJEE N#CC1CCC(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 799735975 REMSCWGSHUDGDO-UHFFFAOYSA-N 440.887 4.560 30 10 IJEE C#CCC(CC#C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 806700848 WEPDOKRTIZFKDP-UHFFFAOYSA-N 426.391 4.614 30 10 IJEE CCc1c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O 920396118 SKDAENQDDUAXCD-UHFFFAOYSA-O 445.568 4.879 30 10 IJEE CC(=NNc1nc(SCc2nc3ccccc3[nH]2)n[nH]1)c1ccc(Br)cc1 1084235645 SRIUDYVTQWEGJZ-UHFFFAOYSA-N 442.346 4.572 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl 1125372786 NMIGBGIKRCHAEF-UHFFFAOYSA-N 438.812 4.907 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCc2ccccc2)c1 1140341053 XUMRJVCUBOUKST-OAQYLSRUSA-N 444.959 4.918 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1158492513 XNTBJDSZTXDQEO-XMMPIXPASA-N 426.582 4.625 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nc2sc3c(c2c1=O)CCCC3 1164598591 CQZMHRQQRRPHAI-UHFFFAOYSA-N 430.551 4.503 30 10 IJEE N#Cc1cc(Br)ccc1OCC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 1165825954 CGMLUIMYPUOIJG-UHFFFAOYSA-N 447.638 4.948 30 10 IJEE Cc1csc(SCc2ccccc2C(=O)N2CCN(c3ccsc3C#N)CC2)n1 1166617006 FDXBENRRPUVIOY-UHFFFAOYSA-N 440.619 4.639 30 10 IJEE C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)C1 1171848065 XCRPKPXTUNMFKU-MRXNPFEDSA-N 430.346 4.863 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc(SCc3ccc(C)cc3)n[nH]2)cc1OC 1180844024 RYJADZFHHOUTNK-ZRDIBKRKSA-N 436.537 4.631 30 10 IJEE C=CCC1(NC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)CCCC1 1204293461 GFNAYNMEDMZZNJ-UHFFFAOYSA-N 431.533 4.945 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Br)cc1 1214761200 NVMRNHGJDVPDFT-HXUWFJFHSA-N 440.341 4.571 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OC)c(OC2CCCC2)c1)c1ccc(Cl)cc1F 1226745459 BOOKZAFKDNZMCW-FQEVSTJZSA-N 430.907 4.983 30 10 IJEE CCn1c(=O)n(CC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)c2ccccc21 1265007792 FXQRBGBIZCEFAG-UHFFFAOYSA-N 444.922 4.581 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1286338308 BAVNLKKHOLMWJT-NZQKXSOJSA-N 431.584 4.749 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1286347294 JZNJBMXZPQLINK-FHAGJXEFSA-N 441.620 4.575 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CC)CCCC1 1286418646 NOAYATNXODWIFK-UHFFFAOYSA-N 426.511 4.980 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccco1 1286419963 IYAHWJCDPIMDBB-LJQANCHMSA-N 436.943 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@@H](C)C1 1286433702 JEVCZVAETCKSBV-XZOQPEGZSA-N 448.611 4.567 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCCN1CCC 1286438214 RVBKSPILONGKKY-CTNGQTDRSA-N 439.673 4.855 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1Cc1ccc(Cl)s1 1286454337 IQFCXXMFFCRFTM-UHFFFAOYSA-N 439.947 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)CN1CCCCC1 1286570874 CQQVTJWGWQZLQD-JOCHJYFZSA-N 447.631 4.655 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1286604469 UALYHWRLZCEBJD-OALUTQOASA-N 428.577 4.570 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1286697539 POCDXBZUIMPOPN-MOPGFXCFSA-N 427.568 4.572 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1ncccc1N(C)C 1286744782 MKDFKYAJRXJULQ-UHFFFAOYSA-N 448.590 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1nc(C)cs1 1286749794 DSWPKNDEIZHFKT-UHFFFAOYSA-N 427.624 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286753931 NEMFOQSJESJYME-FPOVZHCZSA-N 437.588 4.769 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1CC(=O)N(C)C1CCCCC1 1286762163 BXYJIAYPVOYHHS-UHFFFAOYSA-N 435.616 4.572 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C 1296463412 PCQOPNVXGICCGL-UHFFFAOYSA-N 440.540 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H]1CC 1300872287 AQDUCWGRFZJFKA-MZKRTTBSSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1300907743 QBAJHBFPZFWJBP-QHCPKHFHSA-N 446.599 4.588 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2C[C@H]2C)CC1 1301133901 BULXMHXXUGHVCU-WBVHZDCISA-N 431.378 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1301145820 HYCBMETVKGHHLS-UHFFFAOYSA-N 431.588 4.717 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1301153875 GYJMGVJLJNDLBR-OAQYLSRUSA-N 426.580 4.863 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCCN1CCC[C@@H](C)C1 1301270827 LYVLMKCCHZRCKS-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC1(CCOC)CC1)C1CC1 1301316309 AJKYCPCIRRFFKY-UHFFFAOYSA-N 437.407 4.741 30 10 IJEE CCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1Br 1307417419 CUUZPQXOEJSQOV-INIZCTEOSA-N 435.387 4.568 30 10 IJEE C[C@@H](c1ccccc1)N(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 1307665986 GVSQMIQJEJHFCG-XUZZJYLKSA-N 444.604 4.725 30 10 IJEE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)NCC1(C#N)CCC1 1310005310 DNBQHOQUMGVNTB-UHFFFAOYSA-N 436.512 4.552 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@H]2C)cc1)c1ccc(Br)cc1 1310778375 LTBJPOXXGGRTCY-PUCZYUMASA-N 440.341 4.706 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 1352566367 BZJXXWDPVHMBQB-SANMLTNESA-N 438.531 4.541 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)CCCN1C(=O)OC(C)(C)C 1355773208 CPUPGBAYFUZVAY-AREMUKBSSA-N 444.535 4.757 30 10 IJEE CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1358390377 HIRUQNLXQRDRQW-UHFFFAOYSA-N 441.503 4.766 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@H]1CCCO1 1358908946 PBIZVCIURJEORN-VQTJNVASSA-N 443.389 4.659 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1csc(C)n1 1358938842 KJHFVFQLJYHQOB-MRXNPFEDSA-N 444.004 4.765 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc2ccccc2s1 1358983785 WHQDAWHQKPGELO-IFMALSPDSA-N 432.593 4.533 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccoc1 1359102386 AUNPRAVHYSWXDB-ZJSXRUAMSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1359108310 ISEBFLVSUFVDLW-ZILOHOTNSA-N 428.552 4.590 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(C)(C)COC)CC1 1359161489 GDSUSFXIMVTVMK-UHFFFAOYSA-N 436.556 4.946 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2c(C)noc2C)CC1 1359176444 ZAVBELOKMAPEBO-UHFFFAOYSA-N 441.963 4.857 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)C[C@H](C)c1nccs1)c1ccccc1 1359195722 QOFDRWSWKPZTHY-TYPHKJRUSA-N 437.613 4.838 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1359209412 MEZSDMMPUBWSKS-RDJZCZTQSA-N 436.398 4.643 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H](C)c1ccccc1 1359232697 BJPRMEWKJMNDHN-MRXNPFEDSA-N 428.378 4.862 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1359247746 NNAZWWPAIOTRLZ-SFHVURJKSA-N 438.576 4.519 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCCS2)c1 1361031753 ACUHYIXTJLXCIW-ZJSXRUAMSA-N 439.629 4.890 30 10 IJEE C=CCNC(=O)CN(CCc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 1440566522 NSVVLPBGQLSHNQ-UHFFFAOYSA-N 440.543 4.782 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nccn1-c1ccc(OC)cc1C 1459042696 UIRRSPORIAIJNP-KRWDZBQOSA-N 427.595 4.946 30 10 IJEE C#C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Br)cc1 1460784071 IFOJZMXQVDAOHD-SFHVURJKSA-N 427.273 4.667 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N[C@@H]1CCCC2(C1)OCCO2 1466941304 DARMGJFRWLUAHD-CYBMUJFWSA-N 444.347 4.783 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 1468978826 DSKXFYFDEZUSNT-PZJWPPBQSA-N 449.576 4.791 30 10 IJEE N#CC[C@H]1CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1470048979 DLDZJBYSUFHBDW-QRWLVFNGSA-N 431.305 4.861 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 1470135292 BHCWUHOGKWXUMT-JOCHJYFZSA-N 446.469 4.685 30 10 IJEE C=CCSCCNC(=O)N1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1478416888 BFONJMFKLRYDEO-AZUAARDMSA-N 439.666 4.801 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)CC1 1479070759 HMQYZWPTQLDGCI-UHFFFAOYSA-N 429.351 4.822 30 10 IJEE CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1499350271 AWXAKEPFSABWTR-YJBOKZPZSA-N 435.601 4.639 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncccc1C 1507516410 KYJBQUXDTXWTIY-MOPGFXCFSA-N 437.975 4.898 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[C@@H]21 1507557027 GWHSKQFOQWHKIQ-KXBFYZLASA-N 429.362 4.508 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1507593789 GQZVBDGICYTACG-UHFFFAOYSA-N 434.506 4.654 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507653494 YEVKLQAOICZRLN-JKSUJKDBSA-N 436.428 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507667549 UHVQFUFCUFWZQR-MSOLQXFVSA-N 430.474 4.710 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(C)CCOc1ccc(Cl)cc1 1507781589 CZNTYPCXKKHXIJ-UHFFFAOYSA-N 425.758 4.623 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(CCC(F)(F)F)CC1CC1 1507794974 GRRWODOSSUKSEK-MJGOQNOKSA-N 438.494 4.997 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507877751 OGCGHRAYIBTZCK-MRXNPFEDSA-N 439.913 4.639 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H](C)C1)c1ccccc1 1507918984 ANPATCOVHCGBAO-TUNNFDKTSA-N 444.583 4.768 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(C)C)CC1)c1ccccc1 1507928958 NGMQOGPLBMXBAK-HSZRJFAPSA-N 435.616 4.633 30 10 IJEE C=CCCCn1c(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)nnc1C(C)(C)C 1507954454 SZWIPECCLHYGKU-UHFFFAOYSA-N 441.595 4.522 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@](C)(O)c1ccsc1 1507997839 GVWQVPAZXMDXHZ-HSZRJFAPSA-N 426.586 4.572 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@H](C2CCC2)C1 1508065591 MLNUCXOEIITJCH-MRXNPFEDSA-N 437.371 4.603 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](C(C)C)C2)cc1 1508106881 YNTYGSJIDUQTCH-HSZRJFAPSA-N 448.615 4.625 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1509187692 FCNHVKNJJVNMSX-OAQYLSRUSA-N 435.494 4.596 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2[C@H](C)CC[C@H]2C)c1 1516962669 MZWMQPOSHHGWGO-IAGOWNOFSA-N 432.973 4.734 30 10 IJEE CCn1c(NC(=O)c2ccc(Br)cc2OC(C)C)nc2cc(C#N)ccc21 1520825892 CKOKICSRBKJRKN-UHFFFAOYSA-N 427.302 4.730 30 10 IJEE C=CCC1(CNC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)CCCC1 1521322526 DCBQWDZXCXFMFZ-OAQYLSRUSA-N 425.573 4.856 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H](C)SCc2nc(O)c3ccccc3n2)C(F)(F)F)cc1 1521338226 UOOQPKFMQSLOLK-YJYMSZOUSA-N 446.450 4.785 30 10 IJEE CCCc1c(C(=O)Nc2ccc(C#N)cc2C(C)=O)nnn1-c1ccc(C(C)(C)C)cc1 1521710936 CNCDMLAMXDLCRI-UHFFFAOYSA-N 429.524 4.844 30 10 IJEE C[C@H]1CCc2sc(NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)c(C#N)c2[C@H]1C 1524019607 BWJMPLDRJCWDGH-QWRGUYRKSA-N 446.458 4.552 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cccc(Br)c1Cl 1524175840 HOCFIKKQYGDQAN-CYBMUJFWSA-N 430.730 4.628 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 1524675503 HLNRWRHZWNRCFM-UHFFFAOYSA-N 430.229 4.989 30 10 IJEE C=CCC1(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CCCCC1 1526048905 GOVLVKZUQRRHOY-PZJWPPBQSA-N 430.589 4.880 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1534606520 DZPVAJNZXGYXMV-NRFANRHFSA-N 427.372 4.998 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 1534738921 BTCOKVWLRNDXEC-UHFFFAOYSA-N 433.520 4.656 30 10 IJEE Cc1cc(C)c(N2C[C@H](C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)CC2=O)c(C)c1 1536405309 HFPGYLHGYYBTTE-LJQANCHMSA-N 430.533 4.599 30 10 IJEE C=C[C@H](OC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC)c1ccccc1 1538938504 LICHXNCXTGVHNF-QFIPXVFZSA-N 427.456 4.576 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCC 1539399442 LPNJKGOEHZDDGZ-UHFFFAOYSA-N 439.785 4.637 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1539506969 OZRSTWZSQTVDOX-IBGZPJMESA-N 442.629 4.591 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(C)C)CC1 1539580797 QFJJITUROVIRIR-UHFFFAOYSA-N 434.338 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1539677437 CDZVAACSSYEZRB-QFIPXVFZSA-N 425.621 4.688 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1539690921 UDYSVMFPRWXZAA-QGZVFWFLSA-N 425.964 4.893 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1539696747 CEDZCMJPLDTNHT-MRXNPFEDSA-N 444.292 4.779 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccc(F)cc1 1539759822 LKLJADVSEFFMIB-FGZHOGPDSA-N 444.595 4.955 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1CC 1540028070 IQNQHVPIEDIQLE-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1540094241 DVIRPMOCGHTMSN-GFCCVEGCSA-N 447.406 4.759 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCCC1 1540126404 GDQSTYKPDFGCCI-UHFFFAOYSA-N 437.975 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1C[C@](C)(O)c1cc(C)oc1C 1540143481 YWKFEFYNAKHDFK-QHCPKHFHSA-N 426.586 4.917 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C 1545774101 DIVHJEZLDHSYAG-INIZCTEOSA-N 444.580 4.526 30 10 IJEE COc1ccc(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1554884496 DDUNXTCKCMGZSM-NIYFSFCBSA-N 444.583 4.666 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(CNC2(c3ccc(C#N)cc3)CCOCC2)cs1 1560062848 HEKAUDQMVCSOBK-UHFFFAOYSA-N 446.576 4.803 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 1562528491 MHTCXRCULYGPIS-IBGZPJMESA-N 441.597 4.798 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 1564553895 HQCQPDXEXNEMGG-RSXGOPAZSA-N 437.559 4.639 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 1570279480 NEPPFOWETZPRKI-QHCPKHFHSA-N 434.561 4.713 30 10 IJEE COc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c(F)cc1C#N 1587092039 DMNJRYRNSMZJEL-UHFFFAOYSA-N 429.455 4.951 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCCc2sccc2C1 1587769651 KOZJLILPMYTZQL-UHFFFAOYSA-N 426.536 4.965 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(SCC)c1 1587915941 WIVIYCNEZPMHBB-LJQANCHMSA-N 435.597 4.660 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(C(F)(F)F)c1 1588198266 NBSMIXSOZFTSDC-UHFFFAOYSA-N 443.860 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1cccc(O)c1 1589559248 OZHMVWUIZAVUDV-LLBVYWAGSA-N 438.597 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(F)(F)F 1589589757 NLCNTDIIVWWQNX-UHFFFAOYSA-N 443.901 4.606 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(N(C)C)CCCC1 1589687790 OPISXFMDVKRKAA-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCC(C)CC2)CC1 1594013055 BJHKSMYZBRHPFE-RTWAWAEBSA-N 441.595 4.834 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC1 1594128772 VROMULMGSMUASX-UHFFFAOYSA-N 425.945 4.648 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@H]21 1594616509 QNKJXJXYVMWZLB-VAMGGRTRSA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCCN1CCC[C@H](C)C1 1594906702 KPEAMHJHZHFCFQ-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC=CCO1 1595120651 XSLHTDXOFOXLTA-YTFSRNRJSA-N 436.600 4.734 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cc(C)on1 1595191693 VRPWQUUAOBULCO-UHFFFAOYSA-N 428.334 4.539 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1595196057 JTCFYIAYWBYESA-KDURUIRLSA-N 444.023 4.665 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@@H](F)C1 1595275818 PUVFLTSLEBWBIV-UONOGXRCSA-N 443.386 4.546 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cnc(C)s2)cc1 1595613833 IUQXOYNIRGFDLM-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(F)(F)F)C1 1595699789 HGVYCCPAWXALMG-AWEZNQCLSA-N 432.849 4.861 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@H](CC)C1 1595854413 AIYKKVWKTWVRLD-RDJZCZTQSA-N 437.009 4.530 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)c1ccccc1 1598122280 OONCOPBBAKOMNA-RPWUZVMVSA-N 426.988 4.658 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2Cc2nc(C(F)(F)F)cs2)C1 1611767074 GSTMDALOGVXRMY-IBGZPJMESA-N 432.475 4.599 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@H](C)c3ccc(-n4cccn4)cc3)c2C#N)C1 1616737708 DNYGOLZWOIFMRL-DLBZAZTESA-N 433.581 4.610 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCc1cccc(Br)c1 1617260534 DVWWRDREJVTTBC-UHFFFAOYSA-N 440.341 4.562 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 1617867758 INJBRLGUPOQHDT-HXUWFJFHSA-N 436.478 4.546 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(Br)cc1I 1618323035 ATXZBOHDBSXIGR-LBPRGKRZSA-N 434.115 4.625 30 10 IJEE CC1(C)CO[C@H](c2cccc(F)c2)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1620423969 APJYUIDHMSZGAV-FQEVSTJZSA-N 441.572 4.818 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(OCC)c(Br)c2)cc(OC)c1OC 1623980964 WBUJEPPFZMKQHY-UHFFFAOYSA-N 449.345 4.915 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc3c(c2)SCC(=O)N3)s1 1624716557 IKZDSDVFXNKRRN-UHFFFAOYSA-N 425.988 4.522 30 10 IJEE C=CCc1cc(CNC(=O)Nc2c(OC)cccc2OC(F)(F)F)cc(OC)c1OC 1626985654 PXZDWKXTUSQQOS-UHFFFAOYSA-N 440.418 4.661 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](c3c(F)cccc3Cl)N3CCCC3)cc21 1627742680 MLHXDMUVEUPKPX-OAQYLSRUSA-N 441.938 4.973 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1627747611 ZVOBTXFPVMTIBT-KDOFPFPSSA-N 425.356 4.773 30 10 IJEE C#CCSCCNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1628385655 WZELSDUKXUOADT-IRFCIJBXSA-N 447.666 4.879 30 10 IJEE C=CC1(CC(=O)N2CC=C(c3ccc(OCC)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1636535672 QSXXANFFOZCERJ-UHFFFAOYSA-N 426.557 4.514 30 10 IJEE C#CC[C@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1ccccc1 1636574432 WACOODABWSRXTN-IBGZPJMESA-N 439.581 4.752 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N[C@H](c3ccccc3)C3(CO)CCOCC3)c2)cc1 1639176230 ICHNZSUIQOEKEG-RUZDIDTESA-N 442.515 4.611 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)c2ccc(Br)cn2)s1 1639885417 COYXLNFPBJYTOV-SNVBAGLBSA-N 446.823 4.874 30 10 IJEE C#C[C@@H](NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 1641283291 OUHLXTOOBCQGJZ-RPBOFIJWSA-N 431.507 4.955 30 10 IJEE C#CCN(CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCc2ccccc21 1644648095 ZAVAMXNVEMTTJJ-OAQYLSRUSA-N 429.333 4.930 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1646216484 PCYPLFLIGHDXQR-JOCHJYFZSA-N 440.609 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CCC)CC1 1649541070 CJJNQXPCCLIVQN-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(Br)cc1F 1652741441 JEKZSVYNZHHGCH-UHFFFAOYSA-N 449.349 4.940 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC([C@@H]3CCCCO3)CC2)n(C2CCCCC2)c1C 1655089857 HEPHVHWCLGVTLR-QHCPKHFHSA-N 426.605 4.701 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1OC 1656308691 UHJWWLATIWFNHM-IIBYNOLFSA-N 446.950 4.894 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H](CO)c2ccccc2C)cc1 1658869350 DVDLZECVCHQPCJ-QFIPXVFZSA-N 431.492 4.865 30 10 IJEE CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C12CCCCC2 1660573277 HRTPCZAZUFNNNV-VQTJNVASSA-N 432.611 4.830 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCN(Cc4ccccc4)C3)cc2)cc1 1668491516 ATXXRRJNODCWTM-JOCHJYFZSA-N 426.520 4.994 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 1670866659 PPWWGMKXZVXJHA-UHFFFAOYSA-N 449.551 4.916 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 1671362144 ZYHSYPKSQFGDLE-UHFFFAOYSA-N 427.551 4.807 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1cccnc1)C1CCCC1)c1ccc(Br)cc1 1674030376 FIRUIJODNGFZJB-LEWJYISDSA-N 426.358 4.619 30 10 IJEE CC(C)(CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1Cl 1679136934 DXOQBFRUFZRNSS-UHFFFAOYSA-N 442.966 4.592 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1Cc1cc(F)ccc1F)c1ccc(Br)cc1 1682356912 PASPBTPVEYPKTF-ICSRJNTNSA-N 433.296 4.818 30 10 IJEE C#CCN(C(=O)NCC1C[C@H](C)C[C@@H](C)C1)[C@H]1CCOc2ccc(Br)cc21 1682577649 CZZYOJYHGJJBDX-QINHECLXSA-N 433.390 4.990 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1)c1ccc(Cl)cc1 1683502934 YEONSUNZYDEEOB-XMSQKQJNSA-N 438.959 4.566 30 10 IJEE C#C[C@H](NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C)c1ccc(Br)cc1 1686919333 DMHYZTLKYWOBGJ-OALUTQOASA-N 429.362 4.790 30 10 IJEE C#C[C@@H](NC(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 1686919522 HGXGBVNJTDWEPA-RTWAWAEBSA-N 447.348 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCSCC=C 1689837624 JKCODBBPWVVYDW-ZDUSSCGKSA-N 439.810 4.738 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1689887186 RUNLZKGLCOHHRV-UHFFFAOYSA-N 430.512 4.529 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ncc(CC)s1 1690350221 BPGLSDPTOGFFSU-UHFFFAOYSA-N 426.977 4.758 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1690378994 HATOLBCNLVCQHF-UHFFFAOYSA-N 435.641 4.977 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1 1690439920 SLMNEXCUUJAXSM-WOJBJXKFSA-N 448.652 4.634 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1690490293 VSFWGDYJZNBBLU-QUCCMNQESA-N 435.597 4.618 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1Cc1cccnc1-n1cccn1 1690563569 WKWGEWDTMUKQKV-FQEVSTJZSA-N 427.556 4.613 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1690581563 ULSKIEVVDHDAHK-OZXSUGGESA-N 432.616 4.774 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1690744446 PJOOMMAVKBXFCE-CQGGRAHPSA-N 432.659 4.790 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)CC(C)(C)C1 1690747295 XOQICPAPCTXYJI-PXNSSMCTSA-N 428.602 4.582 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccc(OCC2CC2)nc1 1693992218 HGJIBJIQUQFTOO-GOSISDBHSA-N 430.556 4.532 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705515784 MJYHZZDZZIZQBL-UPVQGACJSA-N 441.664 4.804 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCSC1 1705573264 CPYPLWQQCDGMLN-RTBURBONSA-N 443.016 4.514 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C1CC(C(C)(C)C)C1 1705622425 IARBIRXCHQLHAI-UHFFFAOYSA-N 431.584 4.885 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCC(c2nccs2)CC1 1705683166 ATXYAMGISINRMS-UHFFFAOYSA-N 430.375 4.694 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)CC1CCC1 1705696838 IMIRQTZJTZGJEI-WMZHIEFXSA-N 440.588 4.570 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccs2)CC1 1705748874 CVMGLZBSFYPSMB-UHFFFAOYSA-N 438.359 4.878 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1705772591 VUIUBSYPAAUPJS-WKCHPHFGSA-N 440.588 4.616 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1705782672 DLOFYAKWJQXALL-FQEVSTJZSA-N 431.575 4.850 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1Cc1sccc1Br 1705858414 WTBZHYMUNJMUSE-UHFFFAOYSA-N 428.359 4.523 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1Cc1c(CC)noc1C 1705864597 GVXXKNUURPCGTL-UHFFFAOYSA-N 446.530 4.503 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCSC1 1705879885 OHESIPMFUFAGTH-GOSISDBHSA-N 443.642 4.605 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCOC(C)(C)C)C1 1705916623 QIKFCKDIAYZNPO-XLIONFOSSA-N 448.995 4.668 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccoc1 1706917267 BHYVQTZQCVKTHZ-INIZCTEOSA-N 425.920 4.843 30 10 IJEE Cc1cccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1707309712 BKKOUANOJCZTDU-NLFFAJNJSA-N 430.556 4.555 30 10 IJEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(CC)(CC)SC)C1 1709307807 BLRAYEALDTYLLE-GOSISDBHSA-N 427.618 4.887 30 10 IJEE COC[C@@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1 1712130039 FBESSJWMDXQMMA-IRXDYDNUSA-N 427.618 4.544 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@@](C)(CC)O1 1722283098 QHPMCRSMTKMHNL-WDUKFBBWSA-N 449.368 4.652 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722313515 AFHJECVIIKOSHX-HKUYNNGSSA-N 445.405 4.823 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1722319806 PPYOCKKQJVSQLO-IFMALSPDSA-N 438.547 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N(CC)CC 1722470212 RBTOXDFRAOERDX-UQBPGWFLSA-N 439.673 4.998 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1722480599 RHZJJTMSYNTNGP-INIZCTEOSA-N 446.349 4.921 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722521008 YGZOPFSGKAYINN-JOCHJYFZSA-N 433.604 4.869 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(OC)CCCC2)CC1 1722560809 JJFJQBMZFTYJQE-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(C)c2C)CC1 1722587191 GUAXGYJKJYKVAZ-UHFFFAOYSA-N 430.600 4.886 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722617086 FILYDYJASIHBHL-UHFFFAOYSA-N 435.547 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1sccc1C 1722661402 DPBZXMHWAKUDOF-JOCHJYFZSA-N 444.626 4.603 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@H]1OC 1722678077 KRCPGAUDEVQUQH-IFMALSPDSA-N 426.605 4.697 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1727712626 FKYSAHQWOSTUED-RBUKOAKNSA-N 436.585 4.648 30 10 IJEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)CCO1 1727994760 ANZIAZXZODVIKU-QHCPKHFHSA-N 437.588 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc(C(C)(C)C)cs1 1740557166 LSLSAUCWOVMRSP-SFHVURJKSA-N 437.613 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1cccc(NC(=O)C2CCCC2)c1 1740724388 BDYQLTQBEYMBQV-AFMDSPMNSA-N 433.600 4.961 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CC1CCN(Cc2cccs2)CC1 1740724538 FNUTUNXHZSXUEY-XMMPIXPASA-N 425.646 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)SC 1740725461 QOQIZKXKURKACG-MHECFPHRSA-N 442.629 4.951 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740757308 UOAXPRCXEPZAAS-NRSPTQNISA-N 445.007 4.831 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1CSC 1740778853 VBFHDIMFLDAMQP-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCOC(F)F)CC1 1740820739 PILZIEAPXQBAHU-UHFFFAOYSA-N 436.503 4.527 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1740835993 PYHCQIBEXNIMPA-UHFFFAOYSA-N 446.555 4.571 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cscn1 1740882222 DYAKFPDIQQZYKL-UHFFFAOYSA-N 438.384 4.938 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(Cl)nc1 1740904281 FLSURAOSCCZREE-UHFFFAOYSA-N 438.746 4.883 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(Cl)s2)C1 1740981267 MSXXAKFGHPIDLH-QGZVFWFLSA-N 432.952 4.553 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(C)(C)C)C1 1740996817 JCUQAVVPOCPAOO-CQSZACIVSA-N 438.439 4.827 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCC(F)(F)C1 1748842213 HHARDXWRNMSZDT-LJQANCHMSA-N 449.505 4.889 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCC1CC(OC(C)(C)C)C1 1748898898 XZIDWOHMILWPJY-UHFFFAOYSA-N 432.612 4.510 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)OC1CCCC1 1749024270 LESGSHBBZABRJG-MRXNPFEDSA-N 430.643 4.808 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(OC)CCC(C)CC2)CC1 1749309889 QUOQREGMQWQOCG-UHFFFAOYSA-N 438.616 4.824 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749417498 JGNVTOMVLNSKRI-UHFFFAOYSA-N 445.995 4.869 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(C)OCCc2sccc21 1749470792 CRXNUBGOVIPAJN-QFIPXVFZSA-N 446.523 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCCN1CCCCC1=O 1749553034 DQPVNKLFTFBMKQ-UHFFFAOYSA-N 429.634 4.523 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCOC2(CCCCCC2)C1 1749622533 CEUDLKPQHQLCOG-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCCS1 1760123453 GJASKRYHYFKATM-GDBMZVCRSA-N 439.412 4.908 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccccc21 1760138465 ZAJUORTXIPNVPL-OAQYLSRUSA-N 449.599 4.890 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1760158204 GMDVGZKYSHALDZ-PMACEKPBSA-N 442.991 4.567 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C(C)C)C1 1760277422 KJIVASBRABQXAR-FQEVSTJZSA-N 442.629 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCSCC=C 1760291541 SRHKQMDDQSIXGY-OAQYLSRUSA-N 445.430 4.927 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N(C)C[C@H]1CC=CCC1 1760310619 KQQZBCJGVILMKM-SFHVURJKSA-N 431.378 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C)(C#N)CC1 1760315112 ALNXSOJDQYESNS-VJBWXMMDSA-N 433.600 4.931 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)OC 1760320806 ZZOWPSMSHYOHML-OXQOHEQNSA-N 428.533 4.792 30 10 IJEE C=C(C)COCCn1c(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)nnc1C(C)(C)C 1760361616 OMYIRJCHLIEENQ-FGZHOGPDSA-N 426.605 4.772 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)CN(C)C)CC1 1760398420 XSMRRKYVDKJHRF-UHFFFAOYSA-N 446.437 4.698 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)C(C)C)CC1 1760398950 SSKAFQQLYVYQKD-QFIPXVFZSA-N 447.421 4.825 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1760426728 BWTLWVNMTLJPHG-RUZDIDTESA-N 449.574 4.709 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 1760433324 RPTICXKBQKNYHR-MSOLQXFVSA-N 446.979 4.654 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCCn1ccnc1C 1760479004 BLDDPNBPJHUJOV-UHFFFAOYSA-N 441.539 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCC1 1760490956 OQEFMWGEYUYRPI-UHFFFAOYSA-N 425.646 4.938 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(NC(C)C)CC1 1760507759 DBACKGMFOVXZSJ-UHFFFAOYSA-N 425.577 4.966 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC(C)(C)CC2)cc1 1760531299 KBEVABMIJSDVGX-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC=C(Br)C1 1760532035 JBBKZDLWHTVCRM-INIZCTEOSA-N 431.378 4.894 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CCC#N)CCOC 1765081996 ASUAYMMBTXABRN-RTWAWAEBSA-N 446.599 4.995 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCOC(F)F)CC1 1772554675 BGNVRXQQEWQOHG-UHFFFAOYSA-N 427.499 4.833 30 10 IJEE CC(C)c1nc(C#N)c(NN=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)o1 1772721947 KUXFUCVKSVTJSW-UHFFFAOYSA-N 441.451 4.877 30 10 IJEE COc1ccc(C=NN=C2S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)cc1 1772757128 AFBZLDUCXXIVJW-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)c(Br)c1 1858437989 QWMHMAHMSMAVRU-UHFFFAOYSA-N 443.326 4.569 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)c2cccc(C#N)c2)cc1Cl 1858719119 BBEKGZFINGFLSR-OAHLLOKOSA-N 434.883 4.573 30 10 IJEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)c1 1859036583 MYXGIJPRPODOMA-UHFFFAOYSA-N 446.890 4.710 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862476996 RFWLJTCGEYGCCJ-MWTRTKDXSA-N 429.472 4.746 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(O)c1 1862523497 IULNIYGGMPYFQS-XIKOKIGWSA-N 430.298 4.532 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2C)cc1OC 1862576657 YXSZUYRFCVKNJP-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862631594 DKHATJBEGWVQLF-IBGZPJMESA-N 448.302 4.956 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)OC)cc1 1862653685 UBEVKNXHPFDFRI-JOCHJYFZSA-N 429.472 4.615 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 1862675487 MADHWBZJUUXWSI-QHCPKHFHSA-N 447.462 4.632 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1862735037 AHZCREAAUHSISD-LJQANCHMSA-N 438.436 4.574 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C 1868658703 VOUXCLZVWCNXEJ-OAQYLSRUSA-N 437.584 4.585 30 10 IJEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)CCc1ccccc1 1870108035 LSTUMXNGQGBVNV-UHFFFAOYSA-N 434.714 4.730 30 10 IJEE CCCn1cc(OCCOC(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870300193 YXNCFWXUTDSNTL-UHFFFAOYSA-N 429.586 4.546 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1Cc1ccncc1 1870438943 FQRBTNZLXHWVMW-UHFFFAOYSA-N 435.955 4.698 30 10 IJEE CCOC(=O)c1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccco3)C4=O)C2)cc1 1871351525 WKBVUWRZMSBSJY-UUYOSTAYSA-N 445.471 4.733 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(=O)OC)cc2)C3=O)c1 1871387309 NZKFREWUXPTUIO-QRVIBDJDSA-N 444.439 4.707 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871442410 FRRCQSAMRMMVHM-MTJSOVHGSA-N 435.863 4.988 30 10 IJEE Cc1cc(OCC(=O)Nc2nc3ccccc3s2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871442426 MEZJMWLDTURTGC-ZDLGFXPLSA-N 432.457 4.831 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(O)cc4)cc(C)c3C2=O)cc1 1871442864 MYITUSHWKOCTGB-QRVIBDJDSA-N 429.472 4.897 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872442558 ZWHMAUFXHFLAEJ-WMZHIEFXSA-N 428.598 4.924 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccn1C 1874215903 HHZRMROYACXLNR-OEAKJJBVSA-N 429.977 4.832 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874342330 KRRKSWZLHAPMDS-WSDLNYQXSA-N 427.917 4.981 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874385130 ZTLNNMXCHHPIKV-SSDVNMTOSA-N 443.916 4.969 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccncc1 1874394092 YIHRVIRJZRPKEA-SCELWYEFSA-N 444.520 4.908 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cc(C)ccc2O)c1 1874452860 RHCDNZLAYBMKTL-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccccc1F)c1ccccc1 1874497400 ITBXAQHAXSSWSM-FRQJIFLKSA-N 437.544 4.536 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)cc1O 1874499658 VWHCZMDLBMXSLQ-AUEPDCJTSA-N 432.908 4.924 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1cccc(Cl)c1)Nc1ccccc1F 1874517787 LDAFKMPDMWJFTG-FOKLQQMPSA-N 429.908 4.561 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccccc1Cl 1874522509 XDJSTLPZUQZXEU-FSJBWODESA-N 427.961 4.724 30 10 IJEE CCCCOc1ccc(/C=N/n2c(S)nnc2CCc2cccs2)cc1OCC 1874561701 DTGLCEQJINSQOP-PXLXIMEGSA-N 430.599 4.873 30 10 IJEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2CCOc2ccccc2)cc1 1874562748 OWFORMKACDNYFA-YZSQISJMSA-N 444.560 4.958 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OC 1874571806 HEFQUEAVBCXOJA-GXDHUFHOSA-N 431.488 4.926 30 10 IJEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(F)c(F)c3)ccc2OC)o1 1874598640 XCAXLGIHJLTDML-FPYGCLRLSA-N 428.387 4.828 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)ccc1OCC(=O)NCc1ccco1 1874617763 RYFLZLLTTQFBSH-DHZHZOJOSA-N 433.504 4.886 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)c(OC)c2)CSc2nnc(CC)n21 1874835417 SNAGXBNCPKKTCR-GOSISDBHSA-N 446.617 4.920 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3ccc(OCC)cc3)n21 1875074911 PIUBLJPMQWYKCO-GOSISDBHSA-N 446.617 4.965 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)Cc2ccccc2)c(OC)c1 1875118028 NCPKWYYUODRQPY-BUHFOSPRSA-N 432.472 4.757 30 10 IJEE CCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 1875173053 TXWOYGSCHVCEPQ-BQYQJAHWSA-N 434.872 4.586 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(C#N)cc1 1892130654 CLDGAYIUYIZYRI-DHIUTWEWSA-N 435.593 4.888 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1922085488 IXJSRCBOEFTKKK-FXSPECFOSA-N 446.632 4.668 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1 2037375499 BDACJDNJJORBPJ-QUCCMNQESA-N 445.560 4.512 30 10 IJEE C#CCOc1ccc(C=C2CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1OCC 2040459478 UQKIKVNBZYTUBL-UHFFFAOYSA-N 442.515 4.720 30 10 IJEE C#CC[C@H](C)C[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076098986 MVMPLZKZQQHYMS-UPVQGACJSA-N 441.660 4.964 30 10 IJEE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1-c1nc(O)c(C#N)cc1CC2 2080385573 QUFCIGRZVHMCCM-UHFFFAOYSA-N 438.331 4.956 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(F)c(C(F)(F)F)c3)nc12 2081250848 IDXFEHYESRPSLX-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE N#Cc1c(C2CCCCC2)nn2c(N)cc(-c3ccc(I)cc3)nc12 2081432542 VSXLPEHAUQUDAC-UHFFFAOYSA-N 443.292 4.502 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCCN(c2ccc(C#N)c(Br)c2F)C1 2118202365 XZDMJQQFEQKAAK-CYBMUJFWSA-N 426.330 4.591 30 10 IJEE Cc1cccc(NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1C#N 2124697050 MRCSZHDKRQFOGW-SANMLTNESA-N 449.551 4.649 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2136313804 BDCABIWDVBBQQL-ROUUACIJSA-N 427.383 4.968 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 2159128821 WLKUCNPLSNBZBR-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNc2cc(Br)cnc2C#N)CC1 2178641844 PAFQOVWMYYNCJS-XVDXERDNSA-N 441.345 4.551 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1Br 2180957283 LQJPNJORIQHXKT-AWEZNQCLSA-N 449.267 4.713 30 10 IJEE CCC[C@@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCN(C(=O)OC(C)(C)C)C1 2181135331 PLFPHRZHCZFTDJ-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1c1ccc(C#N)cc1Br 2185154781 QRUYOVOOXXHITK-INIZCTEOSA-N 444.320 4.840 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1Br)[C@H]1CC=CCC1 2196084970 IGWCFMPKMRUJEQ-YOEHRIQHSA-N 434.334 4.509 30 10 IJEE C=CCC[C@@](C)(O)[C@H](N)c1sc(Br)c(Br)c1Br 2216401029 KFTMRCSAXSUDSA-MWLCHTKSSA-N 448.018 4.753 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1(C)CC1 2235720497 HKXVUBWHTUVEFR-RBUKOAKNSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235725342 WOHHMJUBYUBSKE-PKOBYXMFSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@@H](N)C#Cc2ccccc2Br)C1 2235746180 IHHWXILHVJDVSF-MJGOQNOKSA-N 433.390 4.555 30 10 IJEE C#CC[C@H](C[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237390599 LTPCBVBSYWQVIW-HOJAQTOUSA-N 436.390 4.685 30 10 IJEE C#CC[C@@H](C)C[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237406120 ZPSDWIAGODNQLW-NSISKUIASA-N 437.422 4.913 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255526291 RHHAGVWCLIURGR-SFHVURJKSA-N 425.353 4.812 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCC[C@H](CNC(=O)OC(C)(C)C)C1 2261982115 IANGVOYKJVSLDD-OFVILXPXSA-N 447.572 4.704 30 10 IJEE CC1(C)OB(c2sccc2C(=O)N(CCc2ccccc2)Cc2ccccc2)OC1(C)C 2267173495 LRILABRUVATKPX-UHFFFAOYSA-N 447.409 4.932 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CC1)C2 2267502153 JNMWZXUOYNROAU-UHFFFAOYSA-N 442.365 4.545 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1c(F)ccc(Br)c1F 2275806938 LASMECBBLZUXQM-IBGZPJMESA-N 427.241 4.643 30 10 IJEE C=CCCC1([C@H](N)Cc2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281055342 GQPWSAWWRQDJID-MRXNPFEDSA-N 445.348 4.800 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(N)C#Cc1ccccc1Br 2285907808 AKJSKMJURHWWNO-UGOXUNAQSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)[C@H](N)C#Cc1cccc(Br)c1 2296221762 LLHOIBOEQPPSOL-HUUCEWRRSA-N 449.311 4.610 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296289756 VDUJQOIJLNMSBK-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296310593 LJXOLONCJDYFCD-LEAZDLGRSA-N 433.390 4.567 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccccc3)sc2c1 2296923472 JPFKERHAONOHLX-HXUWFJFHSA-N 446.484 4.914 30 10 IJEE COc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccc(C)cc2)S1(=O)=O 2296957072 MUNFAMZHGCJNQC-UHFFFAOYSA-N 440.546 4.551 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc3c2[C@@H](CC(C)C)CC(=O)O3)C1=O 2297639856 MPKONUVXASHGLN-HNNXBMFYSA-N 438.476 4.767 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2306524078 TVGZGUCELCAUGY-SQJMNOBHSA-N 430.589 4.801 30 10 IJEE COc1ccccc1C=CC=C1Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2C1=O 2314437119 CXVFXJOCQFHYNI-UHFFFAOYSA-N 443.411 4.995 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2322687569 HGERTVLWWSTAAQ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC(=O)OCC(C)C 2323247710 DRHRZVRPWXVIJD-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1[N+](=O)[O-] 2323331441 FTTLYQAXBDPTRV-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(OC)cc1OC)C2=O 2325027792 VVYANOFMSCQNCM-UHFFFAOYSA-N 440.492 4.822 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1OCC 2325648570 GUTFDFQCVFBCSE-UHFFFAOYSA-N 445.899 4.535 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccc(C)cc1 2325893418 QJZUTWQGVJUADD-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1c(C)[nH]c2ccccc12 2326796675 WERXMSSWLHGLSQ-UHFFFAOYSA-N 447.564 4.981 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2330972073 CGUDMXJIPKOUOD-FQEVSTJZSA-N 430.884 4.728 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1sccc1C 2331086464 PKFFSBPGKWIZEN-UHFFFAOYSA-N 433.647 4.929 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2ccccc2F)nnc1C(C)C 2331698510 ICAFQHADIINWLA-UHFFFAOYSA-N 444.532 4.741 30 10 IJEE C[C@H]1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339584962 ISCPPBUBYRMSBD-AXDNMFEOSA-N 433.405 4.827 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2360196132 KLRCWBACYCAFTB-RLLQIKCJSA-N 435.406 4.720 30 10 IJEE CC[C@H](N[C@H]1C[C@H](C)CN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844073 NIQRIRNRUCBNIC-MZBJOSPHSA-N 448.460 4.937 30 10 IJEE C[C@@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1ccccc1Br 2364916008 MYFWNZPJZNGIHL-GFCCVEGCSA-N 437.574 4.970 30 10 IJEE N#Cc1c(NC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)sc2c1CCC2 10333418 AFRGEUHGCSSPPZ-UHFFFAOYSA-N 447.585 4.857 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(C)c(C)c2)NCCc2ccccc2)n1 14156944 WCPLYEKJUBCPGC-UHFFFAOYSA-N 432.597 4.707 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C(C)=O)C(=O)C(F)(F)F)cc1OC 15481630 ZMWQKRRHUOFJFJ-WOJGMQOQSA-N 444.409 4.660 30 10 IJEE O=C1/C(=C/Nc2cccc(F)c2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 20575851 IYEWUVVGFJQUTB-WQRHYEAKSA-N 432.473 4.513 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccoc1C 23519480 FAXBGFNHUDHCCC-OAHLLOKOSA-N 426.567 4.652 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cccc(Br)c2)no1 63381258 ALPSFWCDBAGSRU-UHFFFAOYSA-N 429.274 4.596 30 10 IJEE COC[C@H]1CC(=O)C=C2C(Cl)=C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@]21C 65743202 GXMMOJSSTKHQSR-IVEPIFGGSA-N 448.987 4.624 30 10 IJEE in-vitro CN(c1nc2ccccc2n1Cc1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 95074667 NVVCEMZXOYPYDI-UHFFFAOYSA-N 445.567 4.792 30 10 IJEE COc1cccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)c1 100369482 SJQILNZTCFUNLR-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE O=C(O)c1cccc(/N=C2/S/C(=C\c3ccc(O)c(O)c3)C(=O)N2c2ccccc2)c1 101133006 QVZRZMXYNQGUHZ-VNSYZNKPSA-N 432.457 4.605 30 10 IJEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3c(F)cccc3F)S2(=O)=O)cc1 104400851 BTAGBIBFHANQFQ-FYJGNVAPSA-N 440.471 4.759 30 10 IJEE Cc1cc(=O)oc2c1C=CC(=O)/C2=C1\C[C@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc2N1 135982330 CQTKKJLJCASCFK-CCCHMHNHSA-N 441.443 4.832 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2COc2ccccc2)cc(Cl)c1OC(C)C 169914307 FAOKHOPYEKCPMM-FMCGGJTJSA-N 446.960 4.867 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949830 CKGKESJSRBVYMX-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC)c1 170112200 SDYMVVPXWOKWCJ-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)c1 170134286 IJBHHDMVDCFFIK-JOCHJYFZSA-N 433.460 4.551 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccccc2C)c1 170142689 RMEMWJJIGFQXQK-XMMPIXPASA-N 441.483 4.858 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)cc1Cl 170144618 FXFZXCJAEASJDP-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@H]3c3cccs3)ccc2O1 170167099 WTCIECARUDKTBB-PEBXRYMYSA-N 449.503 4.989 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)c1 170187556 PGJGENNJNYQZGZ-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)c(C)c1 170188746 LRAKEBXIMFFKSU-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccnc1 170196694 JBOUQLBMGRKCKY-HSZRJFAPSA-N 430.504 4.628 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1 170204144 AYFMWTLFNZXMKP-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1 170224392 JIEGKESTEHQQQT-QHCPKHFHSA-N 427.456 4.761 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1 170235919 KXYHSDFQPCCHLB-QFIPXVFZSA-N 434.923 4.633 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3cccc(O)c3)ccc2O1 170258286 LLCPWXXFUOIIDI-QKFKETGDSA-N 445.446 4.638 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccco2)c1 170297462 URPYHBMBXKRTBG-LJQANCHMSA-N 449.850 4.601 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)c(OC)c1 170308166 SPUMZBANVSRHIU-OAQYLSRUSA-N 425.481 4.516 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1Cl 170339365 ISFHEWVNXFSFAI-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1OC 170411737 SCVVSLLLVCZREE-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(O)/C=C\c1ccccc1 254617912 XRKZTMHVSPJICB-PQWMMYABSA-N 426.428 4.777 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(NN=C(C)c2cccc3ccccc23)c([N+](=O)[O-])c1 254627857 BMWJXYAWUYNPCY-UHFFFAOYSA-N 440.525 4.615 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(OC)c(Br)c1)NCCC 406749798 GERXCQFNBKNYKH-ZWKOTPCHSA-N 441.410 4.838 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 460566557 LDGZUUJGUKGNOC-FQEVSTJZSA-N 447.495 4.542 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C 472824432 FUZWBZFLXARVLD-UHFFFAOYSA-N 430.552 4.849 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526818545 OEPVRWAXFYLNHN-UUYOSTAYSA-N 425.514 4.549 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526824983 DGUYVQQSFBUFOJ-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 555269735 TUMUGHSLYIZJSM-YKSBVNFPSA-N 432.568 4.614 30 10 IJEE Cc1ccn2cc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)nc2c1 604085370 AFIWETDCXHUELT-UHFFFAOYSA-N 425.492 4.610 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C#C)c1 733201414 TXBHHQUPXYKWDT-NRFANRHFSA-N 449.963 4.613 30 10 IJEE Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2oc3ccccc3c2C)c1 734300226 MRDOCLIYIKMSGM-QFIPXVFZSA-N 447.560 4.850 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCN(CC(F)F)[C@H](CC)C2)c1=S 765717274 PXPUDSSPBBCNSM-QGZVFWFLSA-N 441.979 4.539 30 10 IJEE N#CCCn1cc(C(=O)O[C@H]2CCc3sc(Cl)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 766534786 DXOTZYOCLLDMJC-INIZCTEOSA-N 442.884 4.931 30 10 IJEE CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)c2c[nH]c3ccccc23)cc1 780816019 SUQFUEBOJXUNAZ-JOCHJYFZSA-N 429.568 4.701 30 10 IJEE O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc2c(c1F)CCNC2=O 791355905 IMLPEIVGAZOSLG-RJRFIUFISA-N 446.322 4.801 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](C)[C@H]1c1cccc(F)c1 809920872 FUAQBVGBGZYNBP-MBSDFSHPSA-N 449.530 4.617 30 10 IJEE C#CCSc1ccc(COC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 1128145568 WDDXKEOHFLPMAV-UHFFFAOYSA-N 435.402 4.508 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 1128546127 HIMBKUVTMDENTB-SJORKVTESA-N 434.754 4.971 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1142000298 PUMVAQMOGJTKHV-QFIPXVFZSA-N 438.568 4.736 30 10 IJEE N#CCCN(C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(F)cc1 1144054705 ANYWNRFGRZETBO-LJQANCHMSA-N 437.418 4.522 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1)c1ccccc1 1163096401 DBIAAVUANANZDS-HSZRJFAPSA-N 437.499 4.661 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@H]2CC)nc2sc3c(c2c1=O)CCCCC3 1164444231 OLNZTCWWLLYMTR-MRXNPFEDSA-N 445.654 4.796 30 10 IJEE C=CCn1c(SCCOCC(F)(F)C(F)(F)F)nc2cc(Cl)ccc2c1=O 1187995614 UNLFLOWQPCLPPC-UHFFFAOYSA-N 428.810 4.542 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)OC 1204953317 BQCDPLMDJCONDR-UHFFFAOYSA-N 434.517 4.844 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1)c1ccc(F)c(F)c1 1226659102 HSQXRXISRCMELR-NRFANRHFSA-N 430.499 4.897 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 1230549272 GIPDOAKWXBHXPO-DHIUTWEWSA-N 431.536 4.826 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3c(c2)N(CCCC)CC3)CCCN1C(=O)OC(C)(C)C 1266159801 CIYJFTAEWQKBIK-RUZDIDTESA-N 425.573 4.581 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC(C)(C)C1 1286283300 QZJBVOGKDMIRNR-MRXNPFEDSA-N 434.415 4.832 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1286349186 UNOMCWUYUNKTBG-CTNGQTDRSA-N 433.556 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCOCC(C)C 1286518905 MLMQXTZAHQMLMK-NTKDMRAZSA-N 428.552 4.612 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1C(C)C 1286541046 VXZFTUZVQYGDDY-QGZVFWFLSA-N 425.321 4.681 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1286541919 FWCUNEZNLYFWDF-MJGOQNOKSA-N 431.378 4.761 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1286584499 LWYVUTAFSFOOJU-MRXNPFEDSA-N 444.352 4.755 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286591218 GEYHIWFRJXRKSU-LJQANCHMSA-N 448.571 4.563 30 10 IJEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1286618653 GBFPOKQODXBGLD-UNMCSNQZSA-N 438.597 4.722 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1286632360 KFDPIGQCBFXHFZ-QGZVFWFLSA-N 443.020 4.980 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCCC2(F)F)CC1 1286643194 DKFAKWVNYSRGJJ-GOSISDBHSA-N 432.515 4.944 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1286664899 LFZWTOXVMYBKSH-ZJSXRUAMSA-N 438.616 4.897 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1286666704 DJBQIBSWQDGIHD-RBUKOAKNSA-N 429.584 4.690 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286685578 XCFSATSQVJOYPR-LEWJYISDSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 1286691461 HTIXTCLMAWCBOQ-UHFFFAOYSA-N 448.615 4.540 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1cnn(CC(C)C)c1C 1286751688 SJYXFWLNCZLERO-OAQYLSRUSA-N 440.617 4.593 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](CCc2ccccc2)C1 1286832683 XKTQKBUBPZRFIF-OAQYLSRUSA-N 428.646 4.624 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCOC2(CCC2)C1 1286834213 APRQPYJYLDDZPT-UHFFFAOYSA-N 430.643 4.557 30 10 IJEE C=C(C)C[C@H](NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC 1288353879 AORDPUCRSXICJX-PBHICJAKSA-N 436.961 4.631 30 10 IJEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CCCC2)C[C@H](C)O1 1293636562 DHQSERUJQSAWGO-FPOVZHCZSA-N 437.588 4.703 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1csc(-c2ccccc2)n1 1294953856 LAORHVWIZZRODJ-IBGZPJMESA-N 429.586 4.718 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12 1299310587 XQKGRABCINDYLI-OXQOHEQNSA-N 431.552 4.614 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1300363326 YBTHLDQPOKJOPY-RTWAWAEBSA-N 428.964 4.555 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccccc2CC1 1300394182 NQJUUFRNMKUAMC-UHFFFAOYSA-N 441.398 4.788 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1300399412 LJCRMKDWUGUIOU-UHFFFAOYSA-N 430.396 4.988 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C1CCCCC1)N(C)C 1300563829 OFRXCOUKYOAHAZ-QHCPKHFHSA-N 443.595 4.665 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@H](C)C1 1300603734 XZZPOZCNRNBWDV-IRLDBZIGSA-N 431.584 4.627 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1300963280 REUUQALKLTUJNX-AUUYWEPGSA-N 437.371 4.744 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1scnc1C)c1ccccc1 1301010786 ZMGRQVXIGUODHM-UHFFFAOYSA-N 436.610 4.749 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1301016963 DHBBAEHYSWWFBE-GJZGRUSLSA-N 425.360 4.828 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC(C)(C)[C@H]1C 1301150273 QBPGDHYHHSDDFD-LJQANCHMSA-N 434.588 4.737 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1301176856 MGGBGBAIFYKQTK-UHFFFAOYSA-N 439.604 4.822 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1301214535 CDBSMXPLJRNESM-SFHVURJKSA-N 438.601 4.638 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(C)ccc1F 1301246308 QTXMHDSDRAOZMC-UHFFFAOYSA-N 429.927 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC 1301362950 MCHSVFWFVNVXLN-UHFFFAOYSA-N 448.596 4.729 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1301414782 IRNJQYBNJQJARR-UHFFFAOYSA-N 447.505 4.824 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCC2(C)C)C1 1301565996 INISECUUKWFMPE-GGAORHGYSA-N 438.616 4.680 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1301602278 NWRYATAFURJHMM-IHPCNDPISA-N 442.629 4.896 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 1309304053 HGPIFCQNCNJXJV-UHFFFAOYSA-N 438.524 4.675 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC2(CC1)CO[C@H](CNC(=O)OC(C)(C)C)C2 1310624136 JFTDDYLGSHRPHT-FQEVSTJZSA-N 443.588 4.733 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C)c(Cc2cccc(F)c2)s1 1310732418 IZESJSWDRLUIAP-UHFFFAOYSA-N 429.517 4.877 30 10 IJEE C#CCN(C(=O)Nc1cc(C)n(C(C)C)n1)[C@H]1CCOc2ccc(Br)cc21 1310894391 YKFXIADGNXAJGH-KRWDZBQOSA-N 431.334 4.526 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1)C(C)C 1311389251 XNLGJQMGXZSMSI-DHLKQENFSA-N 435.616 4.664 30 10 IJEE C=C(C)[C@H](NC(=O)NC1(c2ncc(Br)cn2)CCC1)c1ccc(F)c(F)c1 1312536563 PZAZMRIUCFYVTH-INIZCTEOSA-N 437.288 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C 1312615697 IBFDHYRBLPQVIO-RMSQTDAPSA-N 428.573 4.733 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 1312703588 XUHMIUDDWABYMW-UHFFFAOYSA-N 433.552 4.719 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O)[C@H]1CCCc2ccccc21 1312744124 AUBOHAXREQOIRG-WVQWTBLQSA-N 447.554 4.600 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21 1313193684 AZJCASARRUYJDS-PWRODBHTSA-N 443.389 4.653 30 10 IJEE C=CCN(C(=O)c1cnc(CC2CC2)s1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1348496534 BNYSXMRWQQXGKK-UHFFFAOYSA-N 426.523 4.960 30 10 IJEE C#CCN(CC#CC)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1354490812 OXAIHCAZHNFIND-UHFFFAOYSA-N 430.360 4.860 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CCOC)CCCC1 1358875535 ROHRRRWPTQUGBD-HXUWFJFHSA-N 431.584 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[C@@H]1CCCCO1 1358880011 CJYAAAWCAJBNOB-FPOVZHCZSA-N 440.588 4.548 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cn2ccsc2n1 1358896259 AGXMWENHJXMCAU-SFHVURJKSA-N 448.596 4.504 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1Cc1c(CC)noc1C 1359017645 MPXODLSHTYIIKH-UHFFFAOYSA-N 449.555 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CC[C@](C)(CC)O1 1359063915 HCJJFALTRLGUFB-XDESJKQVSA-N 440.563 4.897 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC(=O)NC(C)(C)C 1359117067 BOWIFUHLRVTVSK-QGZVFWFLSA-N 448.011 4.615 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1359202082 IKWRLZAFBOURJH-KDURUIRLSA-N 434.588 4.514 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1359209506 PNGDNZKKLJCRSK-SFHVURJKSA-N 442.951 4.649 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCC1CCN(CC)CC1 1359256585 KAGISBGVLMVHJX-UHFFFAOYSA-N 432.616 4.732 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1c(CC)nn(C)c1CC 1359261867 YHTOXYHHKIKODZ-UHFFFAOYSA-N 426.634 4.736 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1359265729 KWSDCRLUWSPEOV-MBDNFAEBSA-N 447.693 4.549 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)c1 1435005602 STDMKSQQKGEGGP-UHFFFAOYSA-N 431.492 4.585 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1 1435622615 TWSIRIIYVJNXPA-FPOVZHCZSA-N 430.470 4.878 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc2c(OC)cc(Br)cc2s1 1440042728 INKDTWIDJWWKPR-UHFFFAOYSA-N 449.326 4.893 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 1440618428 SBWCYHXVYZURIT-DEOSSOPVSA-N 433.596 4.526 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(F)c1 1441050824 RTFRRXAKNHNWKT-XZOQPEGZSA-N 438.543 4.900 30 10 IJEE C=CC[C@]1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1443269923 YIVQBSREHMCYHF-UQBPGWFLSA-N 429.605 4.578 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)s1 1443540105 PPVHBCGPAMRYTD-FQEVSTJZSA-N 432.549 4.971 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC)c(Br)c1 1448077556 ZIEJLZFHYHUSSA-AWEZNQCLSA-N 447.757 4.822 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1 1448922998 OVXSJMXETGGKEM-UHFFFAOYSA-N 428.458 4.751 30 10 IJEE C=CCONC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1449684902 BZTMRLKEMFHUBQ-VWLOTQADSA-N 442.515 4.890 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1OC 1457560926 FHBSGBRTDBSPAK-BYIMBKPRSA-N 434.580 4.546 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCOC3)nnc1-c1ccc(Cl)cc1 1461626198 ALRJWSYURAZYPP-UHFFFAOYSA-N 440.956 4.588 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)CNC(=O)OC(C)(C)C 1465762989 HTZWEFQJXLNOEQ-HNNXBMFYSA-N 442.491 4.772 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 1467944585 RZNRHNXDFXOUDZ-RUZDIDTESA-N 425.573 4.783 30 10 IJEE C=CCCCN(CC)C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1468787690 RXRGHGXRXLGUFR-HSZRJFAPSA-N 428.598 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cscc1C 1507531009 ZJRZEYATRWFYNY-SFHVURJKSA-N 432.549 4.993 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1507569391 ZLBFGKKRKZHVGX-UHFFFAOYSA-N 429.902 4.635 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](CC(C)C)N(C)C 1507765606 TYYKALVCAGNKFM-DZRGJMJISA-N 441.595 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1507798152 NFPREUTZRMQKTE-REWPJTCUSA-N 441.576 4.781 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1507910845 DANOUHHTXPCAAL-IBGZPJMESA-N 439.995 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1507917032 KHMKQYHUVDCZHH-IBGZPJMESA-N 431.669 4.846 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCC[C@H]21 1507927293 PITJJHJPFAZGNK-IEBWSBKVSA-N 426.561 4.706 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1507933489 OBFPXRZFGUDZEX-UHFFFAOYSA-N 443.611 4.693 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507946591 QQPPQKKQTXPOHE-OAHLLOKOSA-N 427.902 4.638 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCC(OC)CC1 1507974640 IOAQBXHJJNGBOE-UHFFFAOYSA-N 433.394 4.843 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1507995248 GPUCDIJKFOQULI-IBGZPJMESA-N 446.542 4.868 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1CC(F)(F)C1 1507998318 OQGPEGIKWXBPOB-UHFFFAOYSA-N 425.483 4.587 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CC1 1508160808 WUXQWAUYFIGPRV-LJQANCHMSA-N 449.665 4.548 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1)N1CCCC1 1508862529 DSHOSAYMLGSIHQ-ZJSXRUAMSA-N 441.023 4.849 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[S@@](=O)C(C)(C)C 1509947487 AMQOOGCHZQIITD-BEIWTESXSA-N 447.674 4.561 30 10 IJEE Cc1ccsc1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1 1510494188 DALFZFGNEOSPLB-MRXNPFEDSA-N 425.533 4.715 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCC2(C)C)c1 1510582837 HQKAWZIJUCCGRZ-CYFREDJKSA-N 425.552 4.742 30 10 IJEE CCN(CC)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N 1515575927 BZQXIOAAJHJLOX-GOSISDBHSA-N 428.650 4.603 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)c1 1518118446 FFJCGGVARNXFAR-UHFFFAOYSA-N 432.911 4.807 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCc2nc3c(s2)CCCC3)s1 1520507445 NQKZZGYVKWJMJT-UHFFFAOYSA-N 442.075 4.923 30 10 IJEE C=CCN(C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1522119137 KUWXFGXYCGDELA-PKOBYXMFSA-N 445.560 4.924 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 1522842839 HXXCCGDZWBGDSY-QRWLVFNGSA-N 427.342 4.616 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(-c3csc(C)n3)c2)CCCN1C(=O)OC(C)(C)C 1522931684 GQVSWNAQEVMUSO-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1C[C@]1(C)Br)c1ccc2c(c1)OCO2 1523443811 SFSUNDRJYOFQFC-JTSKRJEESA-N 444.325 4.687 30 10 IJEE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)cc1 1531508993 HKGNBHSMBKHHAO-IRXDYDNUSA-N 439.943 4.657 30 10 IJEE C=CCOc1ccccc1CNC(=O)CCCCc1ccc(I)cc1 1531574489 BQVCTUILTIYZKY-UHFFFAOYSA-N 449.332 4.885 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 1531574515 CDSWUUGCZRKCCW-OAQYLSRUSA-N 430.589 4.979 30 10 IJEE CSc1nc(O)c(C(=O)N2C[C@@H](C)Cc3cc(C(F)(F)F)cc(Cl)c32)cc1C#N 1534567866 JWHCMEYWHIHSNT-VIFPVBQESA-N 441.862 4.892 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1539077396 AAUZEWIFAREOFW-NRFANRHFSA-N 434.613 4.518 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539525881 DNFKKHTZVHRCQO-OAQYLSRUSA-N 438.641 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(C)C 1539629419 XFOUSIRKLDEIIQ-OFNKIYASSA-N 434.588 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1539636528 LBGRQXBTGZUHOI-LSWJPFSZSA-N 444.620 4.567 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1539684769 FGTPRIYDFGOGDK-SFHVURJKSA-N 428.577 4.787 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1539960209 ZMBAUIGQMOGVRA-ROUUACIJSA-N 444.421 4.737 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1540006919 HRIPAZNGICSMPU-QGZVFWFLSA-N 429.977 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)N1CCc2ccccc2C1 1540164677 TWJCJANJNGJJTD-XMMPIXPASA-N 442.611 4.664 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ccc(Br)s1 1540854885 LBSRJSFPOHHUTA-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CC)CCOCC2)C1 1540888272 MXTFKGQXPHHQBF-GOSISDBHSA-N 430.980 4.587 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)c1 1542298290 XJGCRGPLRMUUJZ-INIZCTEOSA-N 449.494 4.868 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1547497606 ICTGWJSCUDERNI-LJQANCHMSA-N 440.661 4.659 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)C1 1557169770 GGURYKOBAGPVDD-NRFANRHFSA-N 438.593 4.597 30 10 IJEE C#CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@H]1CCCc2ccccc21 1558542368 UDHUBSXRRNEACN-XXBNENTESA-N 447.579 4.953 30 10 IJEE C=CCNc1ncc(C(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)s1 1558616916 ZYDJRVATMLHQDV-SQJMNOBHSA-N 432.593 4.529 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Cl)cc1C)[C@H]1CCOc2ccc(Br)cc21 1559545197 RICKTGIWDWJHNZ-IBGZPJMESA-N 447.760 4.808 30 10 IJEE CCCc1c(NC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cnn1-c1cccc(C#N)c1 1562643317 DRJJWHVDRZLWLU-IBGZPJMESA-N 444.583 4.947 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 1563486777 OWQRVWUWCKJZBJ-ZILOHOTNSA-N 428.580 4.857 30 10 IJEE C=CC1(CC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1569279962 KZSAFQOHLUXNCD-UHFFFAOYSA-N 426.479 4.870 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CCCN1C(=O)OC(C)(C)C 1586102397 MAZFDDSOQKVACH-OAQYLSRUSA-N 448.976 4.534 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC)[C@@H](C)C1 1587706608 RMWOPNKYAUYKJR-QFIPXVFZSA-N 444.627 4.687 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1587808198 NURBDCGCVHQIPI-LEWJYISDSA-N 436.604 4.552 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCN1CCCC[C@H]1C 1588011448 BCOVJYADGDVCES-JOCHJYFZSA-N 437.632 4.623 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1594431063 UNFQGYKKMQMXLF-AREMUKBSSA-N 438.616 4.899 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1Cc1sccc1Br)C1CC1 1595033798 PZHTZSWXTRXKJW-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C1CC1 1595165487 ILAAGZSYKPZUPJ-YOSAUDMPSA-N 444.645 4.612 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H]1CCO[C@@H](C)C1 1595184828 DEZQYOIOCGNVCM-PMACEKPBSA-N 432.572 4.719 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H](C)c1ncc(C)s1 1595239416 JRQFPVVIALSGLJ-GOSISDBHSA-N 445.596 4.539 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](OCC)C2)cc1 1595639863 MTNKBWAZGIGGRL-JOCHJYFZSA-N 438.597 4.549 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](C)c2ccccc2)C1 1595700679 RASBCPXJXYJFOV-NQIIRXRSSA-N 437.975 4.969 30 10 IJEE C[C@H]1N=C(SCc2cccc(C#N)c2)N2[C@H](C)N=C(SCc3cccc(C#N)c3)N12 1615951693 VIPXNDHQZJPTJV-IYBDPMFKSA-N 432.578 4.547 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 1617120916 SRSQVFXIWZEGEI-OAQYLSRUSA-N 431.577 4.632 30 10 IJEE C=C(Br)CN1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1620606953 FPMJZJCHOHLBSA-IAGOWNOFSA-N 437.378 4.525 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc2c(Br)ccc(Cl)c2[nH]1 1623826713 ZQTWIPMUSBWVFT-UHFFFAOYSA-N 432.705 4.752 30 10 IJEE C=CC1(CC(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CN(C(=O)OC(C)(C)C)C1 1627396748 HHASMWDTYVZHNY-INIZCTEOSA-N 443.975 4.608 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(C)C 1628517366 QRUHQLJSNIYWBP-WIYYLYMNSA-N 440.415 4.855 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CCCC1 1641357703 WUKJBJZRFRZUQB-UHFFFAOYSA-N 442.581 4.752 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cccc(Br)c2[nH]1 1644383861 BTSSGUUTJJAKFB-CQSZACIVSA-N 437.338 4.514 30 10 IJEE C=CC[C@H](Sc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)C(=O)OC 1651532457 KTFQGSICFXDJSJ-KRWDZBQOSA-N 438.530 4.917 30 10 IJEE CCc1cccc(C)c1Nc1nnc(SCC(=O)N(C)C2(C#N)CCCCC2)s1 1652556661 FLOLVQBZOBDXRR-UHFFFAOYSA-N 429.615 4.930 30 10 IJEE COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(C#N)c(C)c2)cc1 1656507781 GOURTQVENNRXIC-RUZDIDTESA-N 425.488 4.632 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1)c1ccccc1 1656680317 VWVGKTDFEOYTMB-LJQANCHMSA-N 441.471 4.868 30 10 IJEE Cc1cc(N(CCC#N)C(=O)Cn2nc(Cc3ccc(F)cc3)nc2Cl)ccc1Cl 1656884809 DINRHAONOWLMDV-UHFFFAOYSA-N 446.313 4.570 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1 1659926652 GXYUNLAACKHZPJ-HXUWFJFHSA-N 431.355 4.551 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cnc3ccccc3c2)c1 1661061502 ZWOAFMNYSKFSNW-UHFFFAOYSA-N 445.496 4.798 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1OC 1662947420 TXGWHEWYRHXQCR-SFTDATJTSA-N 434.374 4.870 30 10 IJEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1668913125 APTVHIGPYRXWOZ-INIZCTEOSA-N 440.466 4.830 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)NCC(=O)Nc2cccnc2)cc1 1672876549 GCJUZGYEACUTGN-UHFFFAOYSA-N 437.912 4.518 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1)c1ccc(F)cc1 1673031984 XZIKHDCPOIIZSO-SFHVURJKSA-N 435.724 4.947 30 10 IJEE CC(C)CN(CCc1ccc(F)cc1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1683532649 CCLLXXJJXHQIMW-UHFFFAOYSA-N 436.575 4.572 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(CSC)c1 1689952627 NGMGKLZEDKLXJT-UHFFFAOYSA-N 447.427 4.750 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1690066179 AOXNJJWQIKBPEL-WOJBJXKFSA-N 428.024 4.816 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C)C1 1690306061 NVJHUUHDDGWLGK-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1)c1ccccc1 1690446945 HUYICMNGARJCPW-ZEQRLZLVSA-N 449.643 4.866 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](COC)C1 1690455769 NUMFZNKTFLIAJC-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)o2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1690519243 BTVFEHHIQRYCQY-GOSISDBHSA-N 429.565 4.648 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@H]1CCSC1(C)C 1690558137 FZDYVEPTMPMSOM-NRFANRHFSA-N 446.624 4.880 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1csc(C)n1 1690586530 OZYCIZSOTYPJID-UHFFFAOYSA-N 431.569 4.521 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1ccncc1Cl 1690590253 RZELPTMPVZCOLX-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1690705861 FDHSEFHZDYQABN-NPPFBWRTSA-N 445.007 4.507 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1690750463 KKZPPWSJRNMACQ-UHFFFAOYSA-N 448.608 4.699 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccc(OCC2CC2)nc1 1693992219 HGJIBJIQUQFTOO-SFHVURJKSA-N 430.556 4.532 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(Cl)=C(Cl)C1 1705514059 IREWGALOQOURLO-UHFFFAOYSA-N 441.366 4.834 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCc1nccs1 1705619170 JDFICKGJMSGIIC-UHFFFAOYSA-N 435.528 4.715 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2ccccc2Br)nnc1C(C)(C)C 1705690576 ANTJONJZUPVZGW-UHFFFAOYSA-N 442.199 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2sccc2c1 1705711550 OOSZJTUHHVFIIZ-DEOSSOPVSA-N 440.613 4.984 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCOCC(F)(F)C(F)F)CC1 1705777704 KZQSXABEDHSDNU-UHFFFAOYSA-N 440.485 4.827 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(Br)cs1 1705817323 HKNHLDGATLTAFE-MRXNPFEDSA-N 425.396 4.946 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1ccc(C)cc1 1705819482 MGHWLHSJUZHPHK-FQEVSTJZSA-N 441.576 4.629 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccsc1 1722325406 KKZSNFKPJTVBPP-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc2ccccc2s1 1722406318 XCQJUQRDAGMPAQ-UHFFFAOYSA-N 440.370 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)NC1CCCCC1 1722468198 GKLJFEQBGGPEBF-YIXXDRMTSA-N 447.627 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H](OC)c1ccc(Cl)cc1 1722473782 CXCCSESWUYHSRJ-NZQKXSOJSA-N 441.000 4.964 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)CC(C)(C)C1 1722492083 DIXAUVNTBPCLHH-LMNJBCLMSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCSCC1 1722496223 WFOXQBISKDYNJG-TZIWHRDSSA-N 426.630 4.777 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1722596264 GJQJNNWHYNKZAL-JOCHJYFZSA-N 437.632 4.674 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC(C)C)c1 1722644830 PTMLWVPOZVPBKC-FGZHOGPDSA-N 426.605 4.902 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCSCC(F)(F)F)C1 1722719014 WSHBRVPJKQRLGY-SFHVURJKSA-N 440.535 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCSC1 1740538004 BWEDVFFLSNMCEG-STQMWFEESA-N 439.810 4.572 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccsc1)N(CC)CC 1740541969 LLNMSDZEJFRZBD-LPHOPBHVSA-N 443.020 4.596 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 1740566540 AGNHEELVJJGZHY-IBGZPJMESA-N 444.023 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)c1nccs1 1740754003 BGTIPIUKTAMORZ-UWVAXJGDSA-N 441.576 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1740756157 NXADUQXUDDUKKR-RFWXGWTQSA-N 425.964 4.710 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740779300 ZMZOJPUAQJLLTP-VQTJNVASSA-N 444.023 4.960 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740783332 ALPRYFOEJZRYTF-DYESRHJHSA-N 432.996 4.689 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccccn1 1740788333 SBCRNNOPKWPNBY-UHFFFAOYSA-N 437.613 4.900 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H](OC)C(C)C)CC1 1740823570 DSANYPLNYNSQQO-SIKLNZKXSA-N 428.577 4.644 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N 1740848930 UPUJXGYGLFSIRR-OALUTQOASA-N 444.624 4.733 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCCC1(C)C 1740919342 CKDHNFVPUJZKJX-VWLOTQADSA-N 435.547 4.613 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740944684 WDAJHMQPKFIASD-DLBZAZTESA-N 431.378 4.537 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCO[C@@H]2CCCC[C@@H]2C)C1 1740982048 SECAAPFIAASIAR-QPTUXGOLSA-N 438.616 4.554 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1740996262 KFIKIPHHXYMJPM-HOTGVXAUSA-N 442.555 4.768 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(ccnc2O)C1 1740998732 TYWWGWCDAWKQDX-UHFFFAOYSA-N 449.624 4.825 30 10 IJEE C=CCSCCn1c(N2C[C@@H](C)C[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741005573 YZOJSRJSYIKVKC-OKYOBFRVSA-N 449.665 4.593 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2nc(C(C)C)cs2)n1 1742313681 HQXDOCVCMKMNCL-UHFFFAOYSA-N 443.580 4.785 30 10 IJEE CO[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 1748426968 BKDDLFRFHQFLGR-REWPJTCUSA-N 436.947 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCSC1(C)C 1748868214 TXTYOUQKNCJGDQ-MOPGFXCFSA-N 440.588 4.552 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCc1sccc1C 1748889251 GWPWKIGOXXAJOT-UHFFFAOYSA-N 425.561 4.569 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC[C@@H]1C 1748951456 VMOQNESWOKUEGV-REWPJTCUSA-N 445.611 4.875 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccccc1 1749049644 MVPMIZHLZZZQPT-YPAWHYETSA-N 438.641 4.905 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)C1CC1 1749123237 CGKCYYZWYBYYQD-HNAYVOBHSA-N 431.378 4.678 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[S@](=O)C(C)(C)C)CC1 1749293414 MNSNFDIXRXYSJR-PMERELPUSA-N 446.686 4.979 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749390490 GNYORMGALOHTHV-HXUWFJFHSA-N 438.576 4.522 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(CC(C)C)CC1 1749485770 ZWSHIOBDBUZCTO-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC1(N2CCC(OC)CC2)CCCC1 1749564531 BQPYANKODFNESF-UHFFFAOYSA-N 449.643 4.856 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N 1750243672 HKDKMACYTOWORE-OLZOCXBDSA-N 428.389 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1760102659 OBDVIVABRUJTAH-LEDOBFOHSA-N 449.624 4.556 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](COC)C1 1760129865 BCVKKWHFDPGANM-VQTJNVASSA-N 445.007 4.965 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1760158914 UJBWYOMGDJVGJD-UHFFFAOYSA-N 448.592 4.740 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC(C)C)C1 1760161512 KTYYXPCTJGLHLL-RTWAWAEBSA-N 443.636 4.678 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCc2cccc(Br)c2C1 1760280781 MMXJPYUOQILTJG-UHFFFAOYSA-N 445.430 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N1CCC(C)CC1 1760337948 BDWNFGPYHHCWOU-LJQANCHMSA-N 431.575 4.670 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(OC)nc2)CC1 1760396339 ASIVRIAVHCTNKP-HXUWFJFHSA-N 447.583 4.889 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760451204 BVSZCCXIEAPKPH-INIZCTEOSA-N 439.025 4.752 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCc1csc(C(C)C)n1 1760481357 UNWURIYREPCCJW-FQEVSTJZSA-N 437.613 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCC1 1760485895 UZPDKYJIIIHAQV-UHFFFAOYSA-N 444.988 4.776 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)cc1F 1760487194 LRECSQNOAWFCTP-GOSISDBHSA-N 442.560 4.622 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1760508606 YWSJMAOLHZOOHX-MRXNPFEDSA-N 431.968 4.526 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCCS1 1763709874 CLNUXLMCTNJFFZ-FPOVZHCZSA-N 438.645 4.666 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)C[C@@H]2CC)cn1 1764607501 AIJHUXZSJLZCBR-AVRDEDQJSA-N 430.556 4.674 30 10 IJEE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772728976 CYZOUOMXVNPTMM-UHFFFAOYSA-N 439.368 4.657 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@H](CC(C)C)C(=O)O)n2)ccn1 1857835215 IRMDYJYSRCAZAD-JOCHJYFZSA-N 431.540 4.781 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)c2ccccc2Br)cc1 1858866281 GMTLNIBOOCVDFN-UHFFFAOYSA-N 429.314 4.552 30 10 IJEE COC(=O)CCCCCCCCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2ccccc2n1 1859489446 JBIQYOBALRCZRH-UHFFFAOYSA-N 447.539 4.833 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCOC)cc1 1862385147 IRWRDKBCZJJHBH-LJQANCHMSA-N 434.319 4.781 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 1862441579 AHGWFSHVKKHJMC-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(F)cc1F 1862463707 KCRRVBUERYMHRP-SFHVURJKSA-N 425.353 4.761 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)ccc1O 1862481102 WXRMFRQGBZVBNA-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(OC(C)C)c(OC)c2)cc1 1862541549 NIMNFKMMOVCWRN-QHCPKHFHSA-N 435.520 4.786 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)c(OC)c1 1862551811 YNDCMQMRONWKRD-GYCJOSAFSA-N 449.547 4.959 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1F 1862650952 HSPUPWKYYDQZRJ-JOCHJYFZSA-N 437.442 4.733 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1OC 1862655147 AOMXCADWDFPFGL-QHCPKHFHSA-N 431.488 4.844 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc4cccnc34)C2=O)cc1 1862953240 JFPCVEXIUYQAAT-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCC)cc2Br)=C(c2ccc(C)cc2)C1=O 1863273296 YDIDJOZECZRUJO-UHFFFAOYSA-N 441.325 4.534 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2)=C(c2ccc(F)c(C)c2)C1=O 1863463089 DVBPBQVXIRAFRT-UHFFFAOYSA-N 429.289 4.583 30 10 IJEE C=CCNC1=C(c2ccc(OCC)cc2)C(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863573566 IGSGHAWAQZUKHZ-AWYKWWOESA-N 434.580 4.546 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C 1868705558 MSKQDKZYCOIXOK-LEWJYISDSA-N 437.049 4.908 30 10 IJEE Cc1ccc(CC(=O)Nc2c(C#N)nnn2-c2cccc(OCc3ccccc3)c2)cc1C 1870152203 GEBYSRMLHYZCMK-UHFFFAOYSA-N 437.503 4.516 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H]2CCCO2)cc1C 1871251998 GFIUIVIKCDCWMT-RUZDIDTESA-N 443.547 4.707 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2nc4ccccc4[nH]2)CO3)C1=O 1871348385 CAYCGWYCAOPPJX-OYKKKHCWSA-N 437.499 4.882 30 10 IJEE Cc1c(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1871371140 OZGYRFKBFPJGFL-NKVSQWTQSA-N 446.371 4.647 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871420622 GPCBRWKWODYGHK-CSNXJAGESA-N 425.484 4.863 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871763215 WJJBYUVAXSPHDS-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871763466 CKGMCNUFBMQIMT-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)c(C)c1 1872604955 ISJAXRXVYMZCBU-DEOSSOPVSA-N 444.641 4.670 30 10 IJEE CC(C)(C)c1csc([C@@H](C#N)C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 1872768297 OWKVLFRTCPVVTO-SFHVURJKSA-N 429.501 4.731 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1cc(Cl)cc(Cl)c1)n2CCCOC 1873613102 XGAXWXDNMUSKMU-UHFFFAOYSA-N 434.327 4.625 30 10 IJEE COc1ccc(/C=N/n2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)cc1O 1874201570 ISQDRXWSKBYAFZ-ZMOGYAJESA-N 440.569 4.781 30 10 IJEE CCCOc1cccc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SCC)c1 1874238162 UUYMVYPTGZZOIT-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)cc1 1874303816 SMQGVWZCGRKRBE-KOEQRZSOSA-N 431.565 4.781 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2O)o1 1874438009 FDGYONWLMSVRPA-YDZHTSKRSA-N 442.541 4.517 30 10 IJEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cc(Cl)ccc2O)c1 1874447469 CTKQJKLPOUNWCJ-AOOMUMSASA-N 428.945 4.972 30 10 IJEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874475913 YXAKEKYXRMFIKK-LPYMAVHISA-N 425.514 4.717 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccccc1F 1874478233 VLMLSCWPRSIJRU-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(O)c2)c(C)c1 1874486881 PAQRHQMPLHVCKN-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874517449 UODKMJYWSBNMII-CBFMJHRQSA-N 441.988 4.907 30 10 IJEE CCCCc1nnc(S)n1/N=C/c1ccc(OCc2ccc(F)cc2)c(OCC)c1 1874559250 GOTKTGLRNBYYJV-ZVHZXABRSA-N 428.533 4.908 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCCO)c2Br)cc1 1874596373 UOMGDNHPDRRBRX-YRNVUSSQSA-N 449.341 4.904 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(N(C)C)cc1 1874693231 UMHZVWRKKMGBFW-NTUHNPAUSA-N 446.459 4.785 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CCOC)c(Cl)c2)c1 1875172483 WTWDOYHBLRLNEU-RMKNXTFCSA-N 432.900 4.975 30 10 IJEE C=C(COC(C)C)[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479887 URKCPHSSJZTFGJ-DHIUTWEWSA-N 434.621 4.836 30 10 IJEE CC(C)(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)C(F)(F)C(F)(F)F 1951901751 VHVCATFMGJYHSD-NSHDSACASA-N 433.320 4.615 30 10 IJEE CC(C)(c1cc(C#N)cs1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952712962 LYSNJQAMAWFNPX-JOCHJYFZSA-N 446.528 4.889 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2ccc(C#N)cc2Br)C1 1957284179 JNGQKRVIOYWODB-UHFFFAOYSA-N 442.357 4.947 30 10 IJEE C#CCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CCC1 1984778118 BTBXWTKZODIYHE-AFMDSPMNSA-N 444.575 4.954 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C1CC1 1985179507 PNXVDTBQBYLPES-BVZFJXPGSA-N 445.563 4.844 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC23CN(C(=O)OC(C)(C)C)C3)cc1 2059128584 DNPQPXBUXZILFD-XMMPIXPASA-N 443.544 4.730 30 10 IJEE CC[C@@H](c1ccc(C)cc1F)n1nc(C(C)C)c(/C=N/O)c1I 2079061858 FTCVPSSBQDCBCS-FULVDIRDSA-N 429.277 4.866 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(Cl)c1C 2082812016 VHQOQZLPCCOGEI-AWEZNQCLSA-N 429.742 4.656 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2116076406 DQVMPUPJHHWHBM-YADHBBJMSA-N 436.405 4.509 30 10 IJEE CC(C)(C)C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1C#N 2181045547 HJEQVZSQAGDYPI-CQSZACIVSA-N 438.366 4.836 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2c(Br)cnn2C(C)C)C1 2183007325 ZZEHHYJKBSXLNF-KRWDZBQOSA-N 441.414 4.738 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(OC)ccc2Br)NCC)C1 2197751981 IQUFKZXAVZBPAN-SFHVURJKSA-N 439.394 4.592 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2218413053 AGJWKVSBIUXEDU-GSHUGGBRSA-N 448.568 4.853 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C(=O)C#Cc3ccccc3Br)CCC[C@H]21 2235721376 IIJNHWWXXHRKJN-ZIFCJYIRSA-N 432.358 4.795 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1C#N 2243924194 CRUJWMVKRYRFIB-MUEKUWCCSA-N 445.563 4.748 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 2247817209 KNCPSIXVDMEXFY-MRXNPFEDSA-N 425.403 4.797 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2262206223 NYGNXXTWLQUIQP-BWKNWUBXSA-N 447.572 4.655 30 10 IJEE C=CCCC1([C@H](N)Cc2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 2266313119 PMGAXQJMVUXEEW-QGZVFWFLSA-N 427.358 4.661 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@@]34CC[C@@H]3CCCN4Cc3ccccc3)CCC2)OC1(C)C 2267459844 GRKHWQIHNPNEMA-LVXARBLLSA-N 438.421 4.564 30 10 IJEE CC1(C)OB(c2cnc(Oc3ccc(Cl)cc3Br)c(F)c2)OC1(C)C 2269063116 DHANGZAFUDBUPO-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C=CC[C@]1(COc2nc(C)c(Br)cc2N)CCCCN1C(=O)OC(C)(C)C 2287698354 FKNZPHFRQKEACS-HXUWFJFHSA-N 440.382 4.849 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 2296219362 NGIMEMNRBSFXMM-UXHICEINSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2cccc(Br)c2)CC12CCCC2 2296221126 FWYVQRNVTXJUCC-IEBWSBKVSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2296297526 ZZHNIRINESWZCL-PKOBYXMFSA-N 433.390 4.568 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296301725 YGWOAFBMFHRLAR-YZGWKJHDSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OC)c2)c(OC)c1 2314430138 XFCHIAQDYGCQCS-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)o1 2320849878 TYYPUYKMKHLGJS-UHFFFAOYSA-N 430.917 4.753 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)N(CCC)CCC)nnc2C2CC2)cc1 2320879117 KUGITZAQNRUAJO-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2CCc2ccccc2Cl)cc1OCC 2322119880 XXRZVWADLITLNC-UHFFFAOYSA-N 430.961 4.685 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2Cl)c1 2322286522 CZFAFXUGCZFLSE-UHFFFAOYSA-N 437.352 4.776 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1c(OCC(N)=O)ccc2ccccc12 2322828408 IGRHNGWTHSLBEU-UHFFFAOYSA-N 430.287 4.915 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1cccc(OCC(=O)NCc2ccco2)c1 2323289172 HOPUSQOKOSHETO-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE COc1cc(C=NNS(=O)(=O)c2ccc(C)cc2C)ccc1OCc1ccc(C)cc1 2323419678 LTAUNYYTYWIUGX-UHFFFAOYSA-N 438.549 4.512 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc(OC)c2)cc1OC 2323511064 NKGAEBBDDMQNMZ-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)C(=Cc1ccco1)O2 2323557095 YUABZBGCCSGSPA-UHFFFAOYSA-N 426.428 4.983 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2OC)o1 2324010196 DBNQYWZEYQSHLR-UHFFFAOYSA-N 436.460 4.867 30 10 IJEE COC(=O)COc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2324282992 WDQJKFSVZQLVKY-UHFFFAOYSA-N 433.416 4.835 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2325715061 VLJYNMRKHSUNKQ-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE Cc1cc(C)c(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c(C)c1 2325736835 PBZNFRRYQUVLBX-UHFFFAOYSA-N 428.488 4.949 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(OCC)cc1 2326684077 IMHOPAYNZVMVPD-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(O)c(O)c2)CC1 2328195003 IFEHYCFKWJHJOO-UHFFFAOYSA-N 432.590 4.510 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(Br)cc1 2328371797 ZZNBTTOQZSMMFN-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cccc(Br)c1 2328575296 LWYDQYYFXNPSHB-UHFFFAOYSA-N 445.386 4.829 30 10 IJEE CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328683956 AVFLJPBLRSPWCJ-UHFFFAOYSA-N 445.932 4.628 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2329285384 FCXZPRJYXUSXDA-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccccc3)nnc2SCC)cc1OCC 2329902594 FBSASCHWVNULNJ-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@H]1CCCO1 2330989938 ZHLSQMMLWCLDFQ-GOSISDBHSA-N 443.916 4.866 30 10 IJEE COc1ccc(C#N)c(Oc2cc(Br)cc(I)c2)c1 2338675935 ZVQGOGCNDFIREB-UHFFFAOYSA-N 430.039 4.726 30 10 IJEE CC[C@H]1[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339540898 CZUPYPUHHUHLMQ-OALUTQOASA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(Nc2ccc(C#N)cc2Br)C1 2340390663 KMDBPVCOIPGFJB-UHFFFAOYSA-N 434.256 4.721 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)cc1 2345711883 FDQHUGRRFYWSFD-UHFFFAOYSA-N 443.328 4.635 30 10 IJEE CCCC#CC[C@@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366648715 UMXIQWLFHIYXAN-TZMCWYRMSA-N 425.763 4.601 30 10 IJEE C=C([C@H](NCCC)[C@@]1(O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1)[Si](C)(C)C 2370882579 GDFMVIJEOXCEHR-WPFOTENUSA-N 432.681 4.586 30 10 IJEE COc1ccccc1CN/C(=N\C(=S)Nc1cc(C)ccc1C)Nc1nc(C)cc(C)n1 14156151 AUTNFXYKIAQJTP-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE CCN1CCN(Cc2c(O)cc(C)c3c2O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)CC1 41514909 XTRPPCLYSQEVNN-KQWNVCNZSA-N 434.580 4.752 30 10 IJEE CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccccc1Cl 59500580 ZCPGCBLGYCXJIU-KGENOOAVSA-N 438.937 4.505 30 10 IJEE COc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1c(C)noc1C 104670189 FBHJJWMVQKMPDU-UHFFFAOYSA-N 437.521 4.943 30 10 IJEE CC(C)Cn1c(SCC(=O)NC2(C#N)CCCCCC2)nnc1-c1ccccc1F 105665841 IICWMQMARUJCSE-UHFFFAOYSA-N 429.565 4.565 30 10 IJEE CCOc1ccc(S(=O)(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 169904065 NEPORZCAFBHWDD-BUVRLJJBSA-N 444.940 4.630 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2-c2ccccc2)cc(Br)c1OC(C)C 169912093 GZAOEYOJNQPHAW-NHDPSOOVSA-N 447.358 4.674 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccncc1 170015980 CBNSAGFQQZGTAW-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc3ccccc23)c1 170044817 CQCOLQLLDHHKBJ-YKSBVNFPSA-N 443.499 4.606 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC)c1 170112213 NZKFSGBPJJQFPI-QHCPKHFHSA-N 449.503 4.836 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170114884 VVGSFCFLINNVCM-XMMPIXPASA-N 447.531 4.931 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC(C)C)c1 170117666 DXVPMQRJMNIMQH-XMMPIXPASA-N 445.515 4.852 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)c1 170167597 WXHBNNQVNFSCCS-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc(OCC)c1 170218000 MZPCUFNOUSBYSZ-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)cc1OC 170222700 NCHYWCORMSKXBW-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCCOc1ccccc1Cl 170536773 GDTVVYHMRYNGOO-UHFFFAOYSA-N 431.883 4.743 30 10 IJEE Clc1ccc(C=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1Cl 252624624 PRXIHXXVABLXJW-UHFFFAOYSA-N 434.375 4.605 30 10 IJEE CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1N=Cc1ccc(C)cc1 254397137 BPNOZMNCOADUJD-UHFFFAOYSA-N 434.565 4.994 30 10 IJEE Cc1cccc(CN2C(=O)C(=NNC(=S)Nc3cc(C)ccc3C)c3ccccc32)c1 254482521 TZMGHFGRKIHSDZ-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE C=CCCCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 303912674 UQZKVMWDBYWHBJ-UHFFFAOYSA-N 427.353 4.832 30 10 IJEE COc1cc(C)cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1C 427882687 AIECVVACPWTTRI-UHFFFAOYSA-N 429.476 4.862 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 442212109 GZYSLBGTFRAGTN-UHFFFAOYSA-N 429.402 4.767 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 460933369 PEFLETNWXCHHPZ-NRFANRHFSA-N 432.524 4.546 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CC2 475603388 SJIBDMHDVYLEPA-GOSISDBHSA-N 432.499 4.866 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 480133315 QSLVDAKFHRUQFC-GOSISDBHSA-N 449.368 4.621 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cc1Cl 492107221 OPNZVIBVHXHVAP-WMZOPIPTSA-N 431.870 4.628 30 10 IJEE C=CCN(C(=O)CN[C@@H](C)c1cn[nH]c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 494650953 DZQJCRCNKQXCOL-LBPRGKRZSA-N 436.368 4.710 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2Cl)cc1[N+](=O)[O-] 526817005 SUCMCUKHQBELHY-UUYOSTAYSA-N 445.932 4.975 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(OCC2CCCC2)CC1 555240413 IUCZYILDNQJRIB-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 558981087 VFJNXUOXYVSZQR-IBGZPJMESA-N 438.601 4.605 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 572425998 NMSRYQJCFVTEKG-XMMPIXPASA-N 448.567 4.637 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 586709573 YHLBIPTTYSEXFK-UHFFFAOYSA-N 429.904 4.815 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C 742215515 YMUDEZOELUVUEW-JOCHJYFZSA-N 433.577 4.986 30 10 IJEE COc1ccccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1 762436588 CNWXMFXBPDTBKX-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 764911493 SYXRGJAYAJYDSK-UHFFFAOYSA-N 433.581 4.523 30 10 IJEE O=C(/C=C/c1cncc(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769639044 GJGCPWDYKHXUPV-IMLGJKEDSA-N 448.338 4.872 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 783076846 JQSRCMXVKFVCAM-IFXJQAMLSA-N 432.442 4.945 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCCC[C@@H]2c2ccnn2C)c1=S 799149865 TVLFPMMYNFZSFG-LJQANCHMSA-N 428.993 4.839 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 800781164 XYNVXBMXGHECAV-UHFFFAOYSA-N 448.514 4.623 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)C2 802965023 OTHYGYVPBVCTSQ-WOLZVPSQSA-N 449.595 4.894 30 10 IJEE CCOc1cc(C=NO)cc(Br)c1OCc1cccc(Br)c1 1084278423 NNFXRGBWSUJNJS-UHFFFAOYSA-N 429.108 4.997 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 1139865308 DLQLDAFFUCROQF-NRFANRHFSA-N 431.374 4.536 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 1153568737 PWRFGKVMZNTMAG-MRXNPFEDSA-N 434.968 4.845 30 10 IJEE N#Cc1cc(C(=O)Nc2ccc3nc(Cc4ccc(F)cc4)[nH]c3c2)cnc1C(F)(F)F 1158692512 HRNQWBIGQCWEJU-UHFFFAOYSA-N 439.372 4.831 30 10 IJEE C=CCn1c(SCc2cc(Br)ccc2C(=O)OC)nnc1-c1ccccc1 1164453714 UBECVKUDFBTTOT-UHFFFAOYSA-N 444.354 4.973 30 10 IJEE N#Cc1cccc(OC2CCN(CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC2)c1 1167353028 CLGFOOXRLXRZMY-HHHXNRCGSA-N 431.580 4.839 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](Cc2ccccc2)C(C)C)n(-c2cccc(F)c2)c1C 1176129593 FORITDSXKLSBLL-XMMPIXPASA-N 432.543 4.900 30 10 IJEE C=CC[C@@H](CC)NC(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 1198630402 AXCRQDIPLORUQI-OAHLLOKOSA-N 437.359 4.758 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1201297470 HDSIBECCRQFMDP-VLIAUNLRSA-N 436.405 4.850 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2nc(Cc3ccccc3Br)cs2)c1 1202443974 NPQORZKPMCGNEV-UHFFFAOYSA-N 426.339 4.799 30 10 IJEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@](C)(Cc2ccccc2)c2ccccc2)cc1 1203384039 CHJCMISGUFNADQ-UQBPGWFLSA-N 447.560 4.652 30 10 IJEE Cc1cc(NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)c(C#N)cc1N(C)C 1219021763 GNYAIHKHWGAFBZ-UHFFFAOYSA-N 436.343 4.614 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 1230549275 GIPDOAKWXBHXPO-XZOQPEGZSA-N 431.536 4.826 30 10 IJEE C=CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(OCC)cc1)C(C)(C)C 1279621938 RWDFZZKHTKJYJJ-UHFFFAOYSA-N 440.569 4.831 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1286276700 YWBQNQZHIVSTTK-LLJLJFOGSA-N 445.558 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H](OCC)C1CCCC1 1286286334 WQPUICAZZLZXGU-GBXCKJPGSA-N 446.599 4.574 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1286316401 IJXMCRJKPZFLCA-AVRDEDQJSA-N 431.565 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1sccc1C 1286419790 FPIBXSPVHIIFHN-GOSISDBHSA-N 438.984 4.953 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccc(F)cc1C(F)(F)F 1286429073 CTUZCHIPMSQDMZ-UHFFFAOYSA-N 446.473 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCOC1CCCCCC1 1286523846 FDRMQOAXVCKYAZ-AREMUKBSSA-N 436.600 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)CCC(C)C 1286527912 MFRMDCBDZFPAHA-CLJLJLNGSA-N 438.616 4.653 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1286591221 GUSKEVJKWPNHCS-NRFANRHFSA-N 430.618 4.896 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1286623326 FTOZVMXJGYAWLN-UHFFFAOYSA-N 429.735 4.614 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@](C)(O)c2ccccc2)CC1 1286651042 QCGJIOICLVZRDP-DRLORSAXSA-N 438.616 4.651 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(Cl)nc2)CC1 1286659118 KLPUCTCUKAKIPF-UHFFFAOYSA-N 429.902 4.646 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1286664824 ISKBHLIFVHOSMI-SANMLTNESA-N 438.616 4.818 30 10 IJEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1286689721 ACIKIRVMZZLDFK-UHFFFAOYSA-N 433.556 4.589 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(SC)CCOCC1)C1CC1 1286732465 TZVWIMVCZPNWOS-QGZVFWFLSA-N 446.592 4.624 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1286772555 HGEXAGPOESNGAS-LPHOPBHVSA-N 443.979 4.620 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2csc(-c3ccccc3)n2)C1 1286799897 BOIXEQHBZVTMFH-GHTZIAJQSA-N 437.613 4.939 30 10 IJEE CC(C)C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1287330336 ATNCFTRNPPZSOG-QPPBQGQZSA-N 443.039 4.629 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(CC)C1 1294980402 ABPIAUJBYODSQW-RUZDIDTESA-N 430.556 4.675 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 1299459673 ASHWMFNGTKZAEE-RBUKOAKNSA-N 438.609 4.597 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1300347297 BYASZVFXWSKJAF-UHFFFAOYSA-N 447.627 4.540 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1300348216 KNBQEECFWIVQLI-MOPGFXCFSA-N 442.629 4.875 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@H]1C(=C)C 1300429700 AGTRQDDDJZUTEI-ZVDOUQERSA-N 442.991 4.739 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(OC)C1CC1 1300601927 LXXQIJJNGNVWDS-HOYKHHGWSA-N 445.007 4.963 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCCC[C@H]1C 1300609122 JZXPAUQCQRIIBU-LJQANCHMSA-N 444.023 4.721 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCC(C)CC1 1300650372 UMEDYTFNXKXLIS-OAQYLSRUSA-N 439.623 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC(F)(F)F)cc1 1300802014 YZGNYQQODVOIRI-JOCHJYFZSA-N 441.457 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(F)CCC1 1300901287 WXKYWPCYEIPBQX-UHFFFAOYSA-N 433.959 4.546 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCc2nccc(C(F)(F)F)n2)CC1 1301074623 DXUIDLNWYKJKMF-UHFFFAOYSA-N 448.880 4.806 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCOCC(F)F)CC1 1301096130 YLTGMFYBVGEHRZ-UHFFFAOYSA-N 447.313 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1ccc(C)cc1 1301354751 IKWXGTCBPFEPPJ-LJQANCHMSA-N 437.613 4.783 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1C(F)(F)C12CCC2 1301379765 SGCQKNCXDQTVPP-IBGZPJMESA-N 430.499 4.576 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1301475257 NUNWCDSVEWAOQT-WIYYLYMNSA-N 446.542 4.709 30 10 IJEE N#Cc1c(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)n[nH]c1C1CC1 1302305807 ADXWKDMIWCOQHC-LJQANCHMSA-N 437.297 4.680 30 10 IJEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)CCOC1(C)C 1305239480 BKIHKZNRUWOSEA-APWZRJJASA-N 429.515 4.646 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3)C(=O)OC 1307259313 OMKJKVVANGSCLE-SFHVURJKSA-N 440.590 4.926 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl 1310499108 QXJDUQISNOADAP-SCLBCKFNSA-N 442.869 4.956 30 10 IJEE C=CCc1cc(CNC(=O)NCc2c(C)cc(Br)cc2C)cc(OC)c1OC 1311747633 JAGIVUWPDVEYPG-UHFFFAOYSA-N 447.373 4.811 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1sc(C)nc1C)c1ccc2c(c1)OCCO2 1348530346 QQBMVALWEVRBBD-UHFFFAOYSA-N 436.533 4.943 30 10 IJEE CC(C)[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)n1nnc(-c2ccccc2)n1 1354724719 DDWBFNGDIMSDNQ-FQEVSTJZSA-N 434.569 4.768 30 10 IJEE C=CCN(C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1)C1CC1 1357798332 KKWXLRSKRVNVBQ-UHFFFAOYSA-N 448.592 4.732 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(CCOC)CCCC1 1358872748 YJUZOZJIIAHCTG-RBUKOAKNSA-N 428.552 4.612 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1359085107 BRPJQRZMABIPAL-AWEZNQCLSA-N 448.315 4.648 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1359125603 LOKNIDBPGBBNKI-CZTZKLFOSA-N 426.605 4.849 30 10 IJEE C=C(C)COCCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359130794 WJUIPSKVGQDUSB-UHFFFAOYSA-N 433.478 4.532 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1359146326 VEHQBJGDKFVWAZ-LJQANCHMSA-N 443.382 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C)C1 1359184751 ZCHMCENMMOZPLK-OAHLLOKOSA-N 449.393 4.544 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1)c1ccccc1 1359193775 JHUCURZJEPHJCP-NRFANRHFSA-N 434.563 4.622 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1359210920 MVUWAJSSNFYQAD-SFHVURJKSA-N 435.528 4.967 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC[C@H]1CCO[C@@H](C)C1 1359235841 PDWFBNUNFBWGRZ-OALUTQOASA-N 428.577 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccnc(SC)c1 1359264242 ZCEVOHCZAHZCTH-LJQANCHMSA-N 441.626 4.939 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2=CCCCC2)C1 1359314698 GNKNEUCJUUYMBV-NRFANRHFSA-N 438.572 4.634 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)CCc2ccc(OCCN(C)C)cc2)c1 1435004299 HCRYZMSUEDUSEF-UHFFFAOYSA-N 432.589 4.836 30 10 IJEE C#CCC1(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)CCCCC1 1439617679 MCTZRFYGOFNSIO-UHFFFAOYSA-N 433.577 4.666 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc2c(c1)OCCO2 1443633668 JSQJLOZEURAMHO-UHFFFAOYSA-N 447.535 4.890 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 1447957537 GRKJXORHMIASFF-GOSISDBHSA-N 442.934 4.929 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cccn3C3CCN(C(=O)OC(C)(C)C)CC3)cc21 1456536301 XPYMRGNWSCPCCM-UHFFFAOYSA-N 449.555 4.848 30 10 IJEE COc1ccc(-c2nc(SCc3ccc(C#N)cc3C(F)(F)F)nc(O)c2C#N)cc1 1458827308 HOPBONHOBSRRAL-UHFFFAOYSA-N 442.422 4.912 30 10 IJEE Cc1ccc(-c2cc(C(=O)N(C)c3snc(C)c3C#N)c3cnn(C(C)C)c3n2)cc1 1460786733 HHCIYHLOPGBOEC-UHFFFAOYSA-N 430.537 4.901 30 10 IJEE COc1ccc(CNC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1C#N 1461816735 AOIKLYMKEGLIFS-HXUWFJFHSA-N 428.458 4.805 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1cc(Br)ccc1Cl 1462792132 CMBBMOIXFRUYNY-UHFFFAOYSA-N 428.511 4.667 30 10 IJEE C[C@@H](C#N)CN(C)S(=O)(=O)N(C)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1 1464581531 GZYNQYPKYIOVDP-AWEZNQCLSA-N 442.368 4.554 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 1466000793 ZHPFKQYFJFNSGN-UHFFFAOYSA-N 427.259 4.814 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1467563975 RMQRZGYTGOGJSN-INIZCTEOSA-N 426.460 4.591 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 1468147898 OPTOBZBJGOSLNC-WAIKUNEKSA-N 433.458 4.952 30 10 IJEE CC(C)C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N[C@@H](C)c1ccccc1 1469350864 HPXCWXUDSFQOIY-DHLKQENFSA-N 447.627 4.545 30 10 IJEE C=CCCC1(CNC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CCCC1 1470083544 WHSRRLWUSKISRB-UHFFFAOYSA-N 440.588 4.704 30 10 IJEE C=CCCC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)c(Cl)cc1OC 1472907561 SQMMGVLICHTFII-UHFFFAOYSA-N 428.941 4.984 30 10 IJEE C#CCCCCNC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 1478202122 JUOWARVIGZUXPR-IBGZPJMESA-N 439.419 4.539 30 10 IJEE C#C[C@H](NC(=O)NCC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1478235729 LVIJMGQATDVVRP-FHJLPGHOSA-N 427.951 4.753 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)c1 1492645694 FTFVCIKUFTXGND-HSZRJFAPSA-N 449.605 4.792 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F 1502110723 CQGWZNLBJDULAS-UHFFFAOYSA-N 439.507 4.608 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C)C1CCCCC1 1503378422 ACNDBURFHOHTMA-QFIPXVFZSA-N 434.613 4.950 30 10 IJEE COc1ccc(Cn2c(CC(C)C)nnc2N(CCC#N)CC2CC2)c(C(F)(F)F)c1 1504274646 BTPIETULJRRCLU-UHFFFAOYSA-N 435.494 4.682 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H](C)c1ccccc1 1507519500 IAVSYDVMPWPJLW-SJORKVTESA-N 440.389 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507526093 KUIUKEHMTGBMRV-VQIMIIECSA-N 445.995 4.606 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H](C)c1ccco1 1507581079 QJXWWVRIHBGIMD-OAHLLOKOSA-N 443.345 4.920 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@H]1OC 1507764512 QRTGRRGUWKTBJB-BXTJHSDWSA-N 449.418 4.576 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1507783754 HLWYGJAQBVQYIJ-ZWKOTPCHSA-N 449.368 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C1CC1 1507806295 MLQCCJYJFKBUSB-JPYJTQIMSA-N 445.007 4.831 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1507843708 RIUORFMXNGVYSO-LJQANCHMSA-N 429.634 4.931 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCCCN2CCCC)CC1 1507889867 ZIFTXEWKZUVULF-QHCPKHFHSA-N 437.632 4.977 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)c1nccs1 1507973453 DTYPXHUDGULIQF-GFCCVEGCSA-N 436.354 4.729 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1508007701 FPGDNSDMWIFPGU-LJQANCHMSA-N 443.567 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCS1 1508012200 SGWZMGJBKXMADJ-CYBMUJFWSA-N 425.421 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1N1CCCCC1 1508021345 NBASSLGNQWXEIF-UHFFFAOYSA-N 448.640 4.851 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)OC(C)(C)C1 1508150658 GBCRVOZJZKRGDP-HNNXBMFYSA-N 437.009 4.530 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1508152535 NDMPYDJAFIZZTJ-JKSUJKDBSA-N 440.535 4.958 30 10 IJEE CC(C)c1ccccc1OCCn1c(-c2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1508873932 FXUCSGKNBLNDCR-RUZDIDTESA-N 430.556 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 1514690855 JYOUODIIJFKHRL-LPHOPBHVSA-N 426.314 4.912 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc(F)c(C)c1)c1ccc2c(c1)OCCO2 1522213074 WYFCZIONWYUUOB-UHFFFAOYSA-N 434.467 4.712 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)Cc2ccc(OC)cc2OC)s1 1524958469 AYMPPSVDMPWGHG-UHFFFAOYSA-N 441.018 4.905 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 1525488347 UNYWOMDJENNSJJ-UHFFFAOYSA-N 447.332 4.977 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cnn(C(C)(C)C)c2Br)C(F)(F)F)cc1 1525703614 AKCRKWRFDKCROQ-CQSZACIVSA-N 429.236 4.842 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1527592089 MPFYVWWCFPLPGT-NTKDMRAZSA-N 430.545 4.784 30 10 IJEE C#C[C@@H](CC)NC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1528089290 YKUSYFNYDGCZSE-QHCPKHFHSA-N 448.588 4.570 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(I)cc1OC 1532324706 JPQGDWCKGOQOQM-NHYWBVRUSA-N 433.717 4.818 30 10 IJEE C#CCN(C(=O)c1ccc(Cn2cc(Br)cn2)cc1)[C@@H]1CCCc2ccccc21 1536287910 IQZKHGLGNAGSBA-HSZRJFAPSA-N 448.364 4.847 30 10 IJEE Cc1ccccc1-n1cc(COC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nn1 1538232067 HDKINNCEKZBIQU-UHFFFAOYSA-N 428.423 4.736 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(F)(F)F)CC1 1539104578 LURUEPAKPCPVOE-UHFFFAOYSA-N 426.870 4.799 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCc1cccs1 1539637422 QLNOQXORTYBDTB-AUSIDOKSSA-N 440.588 4.730 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCOC(C)(C)C 1539731136 YSBPVULDAZLWSF-UHFFFAOYSA-N 437.588 4.646 30 10 IJEE C=C1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(OC)c(Br)c2)CC1 1539828749 OHENSDVWUMNCES-MRXNPFEDSA-N 433.394 4.962 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCO2)CC1 1539878270 YJZSWJCFSIMGSB-SFHVURJKSA-N 431.378 4.597 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1539938920 CRBSJDKJGPSTNI-HSZRJFAPSA-N 427.556 4.553 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1539939777 KCWYZAGFPNEIRY-PKTZIBPZSA-N 433.600 4.895 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1539948783 RYBDCEZFOOODBV-ILBGXUMGSA-N 449.643 4.675 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540019409 ASFXITHYEWRFSD-XPWALMASSA-N 449.599 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 1540119873 LQQKBEKAVPYQJQ-YYWHXJBOSA-N 430.342 4.667 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CCCC(F)(F)F 1540136759 KNDVOAKRVJBYCS-UHFFFAOYSA-N 433.453 4.938 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)C(C)C 1540139630 BZLRGKOXGIETNZ-UHFFFAOYSA-N 444.004 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1Cc1cccc(Br)n1 1540158402 GKGLOOJLTZAVMB-UHFFFAOYSA-N 438.373 4.892 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)CC1 1540470837 GOFKQBBLVLAEQI-NRFANRHFSA-N 439.437 4.603 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 1540531622 RHQSEVXSUCQQPG-QGZVFWFLSA-N 435.952 4.655 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)C)C1 1540907562 AOAHYFUJYFDPMU-LJQANCHMSA-N 427.618 4.549 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@H]2C1 1540920490 XFWJPSCSHZABQM-MOPGFXCFSA-N 430.593 4.932 30 10 IJEE C=C(C)COCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1544313876 VZEJTUOTHIPVBT-UHFFFAOYSA-N 429.523 4.678 30 10 IJEE C=CCn1c(SCC(=O)N2CCC(F)(F)C[C@H]2C)nnc1-c1ccc(Cl)cc1 1544481324 LAIZQFLKNJGBKO-CYBMUJFWSA-N 426.920 4.523 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(Sc2ccc(C)cc2)CCCC1 1545200524 OILZWBUOJNCPST-HXUWFJFHSA-N 430.614 4.823 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC#N)CC1 1546633769 HFJXYUHFZWUGNW-WOJBJXKFSA-N 437.588 4.919 30 10 IJEE C=CCOc1c(Br)cc(CNCC[C@@H]2OCCc3ccccc32)cc1OC 1560601921 UOWWFTJXOYQPNJ-FQEVSTJZSA-N 432.358 4.816 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nc(CC)n(-c3ccccc3Cl)n2)C(F)(F)F)cc1 1587315035 BQWKCJFMTKAROL-GOSISDBHSA-N 433.817 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1scnc1C 1587569559 ZBVNQGVMYYXYEW-HNNXBMFYSA-N 448.621 4.843 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1587707119 WOYBWOHHSWNHCN-AVRDEDQJSA-N 438.503 4.532 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1587718762 NPWKSLHVKWQEEF-IBGZPJMESA-N 449.555 4.598 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(C=C)cc2)nnc1-c1ccc(Cl)cc1 1588033227 CGQBIDOGGRSDFT-UHFFFAOYSA-N 438.984 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccsc1 1588250523 FZRDSLJNTOXLSU-UHFFFAOYSA-N 432.593 4.862 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1occc1C 1589151119 RNBCSYSEWVHUQP-UQBPGWFLSA-N 434.540 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](OC)C1CC1 1589242435 AFAVYOGKLVWZPR-DENIHFKCSA-N 449.382 4.581 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccoc1 1589494700 NNDDLGYWSSLFKX-UYAOXDASSA-N 444.482 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC1(C)C 1589658115 SSQPILYVMHRPMQ-RBUKOAKNSA-N 431.625 4.841 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1594014185 POOMDTCTLTWPME-PCCBWWKXSA-N 440.588 4.788 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(F)cc2Cl)CC1 1594246885 BFJORUFEWHHLBS-UHFFFAOYSA-N 425.939 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C)[C@H]1C 1594472329 DHAOWCRPCWUFDY-SJORKVTESA-N 428.602 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](CC)C1 1594473240 NXHDJXKWMVPUSG-QZTJIDSGSA-N 428.577 4.568 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1OCCC1(C)C)C1CC1 1595026004 BYGWJSBPOLNHPU-GOSISDBHSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCc1c(C)noc1C 1595127334 MPGGGSIAKAPWSY-UHFFFAOYSA-N 432.503 4.519 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1(SC)CCC1 1595127360 NFQIVTNPOLWDIH-UHFFFAOYSA-N 425.577 4.901 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccco1 1595149278 MIYLNJLKQWTJOC-UHFFFAOYSA-N 436.537 4.858 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CC1 1595149501 PJJLDBJUNGXOMV-UHFFFAOYSA-N 426.542 4.560 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC[C@](C)(CC)O1 1595200759 PKGPTLCSSYRAJL-RDGATRHJSA-N 432.572 4.657 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1 1595439880 QOQSGKMKIYWKKF-UHFFFAOYSA-N 434.536 4.706 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(CC)Cc2cccs2)cc1 1595613248 AUVPDKYHCMHGLR-HXUWFJFHSA-N 438.597 4.873 30 10 IJEE C=CC[C@@]1(C(=O)N2C[C@H]3CCCCN3c3ccccc32)CCCN1C(=O)OC(C)(C)C 1595890828 DMHVCYULJORAQY-CLOONOSVSA-N 425.573 4.738 30 10 IJEE Cc1nc(SCC(=O)Nc2nc3ccc4scnc4c3s2)c(C#N)c(C)c1C 1618300886 ADZUKVWVKZYVCE-UHFFFAOYSA-N 425.564 4.829 30 10 IJEE Cc1ccc2c(c1F)N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)CCC2 1618380550 DZXBUOSOOSQBJT-UHFFFAOYSA-N 434.490 4.944 30 10 IJEE COCCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC#N)CC1 1619758593 BSRDABZPHNYMFS-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1620297693 DWTQUHLDXOSJBK-FZEVHQGJSA-N 439.629 4.523 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 1622251670 ATQBQZMVSHAGLO-FQEVSTJZSA-N 430.957 4.746 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 1625487077 WXCBHFURGWRUHE-RBUKOAKNSA-N 432.973 4.914 30 10 IJEE C=CCn1c(SCC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nnc1-c1ccc(Cl)cc1 1631444021 CGFWCWIPHDIELV-SNRMKQJTSA-N 431.005 4.914 30 10 IJEE C=CCC[C@H](NC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1)c1ccccc1 1633418264 SNLPONJMONQQNQ-VWPQPMDRSA-N 428.479 4.570 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C1CCOCC1 1637128852 RTPCXHWDFJSTRB-NRFANRHFSA-N 448.897 4.980 30 10 IJEE C=C1CCC(CNC(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1 1637666480 UYVZGPJGLZCVQM-UHFFFAOYSA-N 433.618 4.809 30 10 IJEE C#CC[C@]1(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CCCN1C(=O)OC(C)(C)C 1640107743 UTFNZZCQVLKPGQ-RUZDIDTESA-N 436.556 4.727 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccsc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640555863 AUAVDZOBPNPEAW-YVEFUNNKSA-N 446.619 4.837 30 10 IJEE CC(=O)c1cc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)ccc1C 1643838640 CWRZASLIXINGMM-UHFFFAOYSA-N 429.325 4.902 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3ccc(C#N)c(Br)c3F)C[C@@H]21 1651678395 QFWVOEVBZVYKDR-SOUVJXGZSA-N 438.341 4.589 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C(C)C)nnc1-c1ccc(OC)cc1 1652409599 TYHNSDHKJQEQNO-WMQCIHAUSA-N 442.629 4.951 30 10 IJEE CC(=O)c1ccc(Cl)c(Cl)c1OS(=O)(=O)c1ccc(Br)c(C#N)c1 1653990419 HEWPZDCUJBULSB-UHFFFAOYSA-N 449.109 4.598 30 10 IJEE C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(Cl)cc1 1654150668 HBPMWUKQKSKDEB-DJCROIMJSA-N 428.863 4.906 30 10 IJEE C=CCOc1ccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)cc1Cl 1657672602 OZLNWIDRCUZORI-NRFANRHFSA-N 436.777 4.677 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(Cc3nc(C)c(C(=O)OCC)s3)CC2)c(Cl)c1 1664989722 LMOFXDOWUHNZJL-UHFFFAOYSA-N 445.972 4.750 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc(OC)c1OC)c1ccc(C(F)(F)F)cc1 1668176242 HFWLOPYQHCYXRV-INIZCTEOSA-N 429.460 4.708 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(c2ccc(Br)cc2)CC1 1669098225 BDQNPDCRJWAALK-UHFFFAOYSA-N 427.342 4.550 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCc2ccc(Br)cc2)n1 1669653493 GCKYOANLGQWJPD-UHFFFAOYSA-N 444.720 4.524 30 10 IJEE C#CCN(C(=O)Nc1cccc(SC)n1)[C@@H]1CCOc2ccc(Br)cc21 1669745982 WXDWSYHPSIPZGP-OAHLLOKOSA-N 432.343 4.557 30 10 IJEE C#CCOc1ccccc1NC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 1670331645 OOBHIGBBDGIAIG-UHFFFAOYSA-N 432.499 4.640 30 10 IJEE C[C@@](NC(=O)NC[C@H](O)c1ccccc1C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F 1674811068 HNPRCFWPDHCWSD-DOTOQJQBSA-N 438.343 4.655 30 10 IJEE C#CCN(C(=O)N[C@H](C)CC(C)(C)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1678038923 NYSSYHSWOMLLJQ-HXUWFJFHSA-N 441.616 4.787 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 1679223484 UHLSEFAZIKMQOR-UHFFFAOYSA-N 443.588 4.574 30 10 IJEE C#C[C@H](NC(=O)N(C)CCOc1ccc(Br)cc1)c1ccc(Cl)cc1F 1682366213 ATYCMRIIORFZOF-SFHVURJKSA-N 439.712 4.636 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(F)c(C)c2)nn1 1683483092 NNRJHYOSJDVMQJ-UHFFFAOYSA-N 443.910 4.699 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1683680530 DTMJNLMCRNZMAL-RBUKOAKNSA-N 433.733 4.640 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)N1CCCCC1)c1ccc(F)c(F)c1 1686173690 NIKXKFQHJYIPQA-NQIIRXRSSA-N 435.515 4.769 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 1686762649 YCPBDSXTZPLMDE-IRLDBZIGSA-N 434.515 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1scnc1C 1689827500 GEXOUDHZRGVINJ-GOEBONIOSA-N 429.977 4.537 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1690089514 CPWFZEJUSDIING-WOJBJXKFSA-N 437.607 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N1CCCCCC1 1690266999 PZOPPSNZOHRRMC-UHFFFAOYSA-N 444.023 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1690271209 HWRBKRTXFLZKJC-XMSQKQJNSA-N 432.996 4.974 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCc2cccs2)CC1 1690277128 DQILQVPBDPCSMZ-UHFFFAOYSA-N 428.005 4.601 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCC[C@H](C)C2)CC1 1690364855 YSHWPPPPMBHZBT-NZQKXSOJSA-N 437.632 4.923 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1690410862 ZYLWJYBTMHUXSE-DENIHFKCSA-N 428.552 4.919 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(CC)C1)c1ccccc1 1690444468 HQZWJROPEXGBGF-BVAGGSTKSA-N 431.584 4.629 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1690444761 LTLNSDACIBXTCY-QHCPKHFHSA-N 426.568 4.754 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)c1ccccc1 1690444963 PDKFTTCTZLQDOY-YVWKXTFCSA-N 445.489 4.789 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1)c1ccccc1 1690446940 HUYICMNGARJCPW-DNQXCXABSA-N 449.643 4.866 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690491658 GADDDYCYEOBSMD-HKUYNNGSSA-N 438.494 4.596 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(C)CC1 1690595585 ZJXWGZPAMIBXOM-LJQANCHMSA-N 429.609 4.761 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCC[C@H](C)C1 1690607758 SMJLYIJLHQUZTJ-NRFANRHFSA-N 448.615 4.679 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)CC1 1693695957 DIUCOMKCHUFXGZ-URXFXBBRSA-N 434.632 4.810 30 10 IJEE CC/C=C\Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1694978853 GAAQNUHZQUXILS-SREVYHEPSA-N 442.567 4.744 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1705510510 QXZAZIDNIOMWGD-MSOLQXFVSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 1705524851 TXZRIDVJMJZWGB-MOPGFXCFSA-N 430.980 4.574 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN(C)c1ccccc1 1705544676 AAMHVYJFTYBMNN-UHFFFAOYSA-N 433.625 4.871 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCn1cc(C)cn1 1705711730 RXFKKYMELVVLLS-UHFFFAOYSA-N 447.612 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cc(Cl)c(OC)c(OC)c1 1705714404 PPXZBQSRYWNHFD-UHFFFAOYSA-N 441.963 4.770 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1705735873 HAXSDHJKBCMSAQ-QHCPKHFHSA-N 433.556 4.591 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1705763425 VHFISGKVNCZFEB-JQVVWYNYSA-N 426.536 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705787946 KWQYJKJQEPJOIT-GOSISDBHSA-N 439.995 4.713 30 10 IJEE C=CCCCCn1c(N2CCCN(CCC)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1705810400 XECJUICGQMQHES-UHFFFAOYSA-N 435.616 4.553 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CCC)C1 1705862849 XURIQAZTTQYZLI-FQEVSTJZSA-N 437.563 4.910 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CC1(C2CC2)CCC1 1705869722 BZUSCFKTPMFNPI-UHFFFAOYSA-N 430.394 4.805 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1706076853 DGGPOXBUIGOPMK-HXUWFJFHSA-N 446.599 4.670 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)c1cccs1)N1CCCC1 1708780874 HXQNVWTYPJQUIH-NQIIRXRSSA-N 434.613 4.950 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OCCC)nc1 1722280686 LDTPCHJDUFSXRP-SFHVURJKSA-N 449.624 4.966 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(COC)c1 1722281866 PATNAHVSYBADHJ-SFHVURJKSA-N 434.609 4.928 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCSCC=C 1722376524 RHTPHCUYPFYUMJ-UHFFFAOYSA-N 426.998 4.805 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1cccs1 1722465070 XDXOCHKETIEEQT-WSTZPKSXSA-N 444.670 4.966 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722528310 YANCBKZGUVAGPN-ZDUSSCGKSA-N 428.421 4.705 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)CN2CCCC2)CC1 1722580605 WHSUFISOQAOORE-UHFFFAOYSA-N 435.660 4.978 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722590432 DJIRMNHWPFRGQB-LEWJYISDSA-N 446.542 4.978 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1722613647 LKFSIPZNWJSGRD-UHFFFAOYSA-N 437.563 4.939 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCC[C@@H]1C 1722636144 HNTCYMYBQWUVFJ-QMHKHESXSA-N 426.561 4.986 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CCc1cnc2c(Cl)cnn2c1 1722656542 XPFJBUIVUAOJMH-UHFFFAOYSA-N 449.990 4.707 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCc1cccc(C)n1 1722667671 HKEGDXDMXCDHFN-UHFFFAOYSA-N 438.373 4.832 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[C@@H]1OC 1722678080 KRCPGAUDEVQUQH-UNMCSNQZSA-N 426.605 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCC1 1740532707 KWFDCSJECVKCKG-RTBURBONSA-N 444.023 4.631 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C)s1 1740536394 GDFWYIHUPJWKNB-GFCCVEGCSA-N 433.350 4.723 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(COc2ccccc2)CC1 1740575973 WZDCQEYGIBIMSK-UHFFFAOYSA-N 449.624 4.733 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](COCC)C1 1740582929 SMVILRHXVKUHLV-GOSISDBHSA-N 445.405 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1Cc1cccs1 1740727665 UXTZRHBWBSLAIC-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1740821255 GJTGPMLKVWGEDE-GOSISDBHSA-N 441.551 4.640 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@@H](C)C2)CC1 1740830153 XTFUMZCWZIEDCT-AQNXPRMDSA-N 429.609 4.943 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OC)c(Br)c2)CC1 1740833787 ALAHHKVKDRSEHK-UHFFFAOYSA-N 447.421 4.992 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740863143 PUTJPGLQYQJBPL-QHCPKHFHSA-N 433.604 4.583 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCN1CCC[C@H](C)C1 1740917477 TZJUVWODWGVBEZ-QFIPXVFZSA-N 446.643 4.807 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccsc1 1740918324 OCSYUOAPCKXWBI-UHFFFAOYSA-N 449.605 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)cc1F 1740924104 GMJSQHYKHRRDHM-HXUWFJFHSA-N 428.533 4.580 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)OCC)C1 1740973661 BLQLHJOUYKLGJU-IEBWSBKVSA-N 444.645 4.728 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(C)CCCS2)C1 1740986368 YXSMGPWDTNWBJV-AUSIDOKSSA-N 444.670 4.946 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)CCCC1 1748504875 GAUAKGJHHICGOL-OAQYLSRUSA-N 437.588 4.560 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(c2ncc(C)s2)CC1 1749043613 IDKAXWAEEKXUEX-UHFFFAOYSA-N 429.659 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCC[C@@H]1C 1749147512 KHORGSQEVLMHMQ-KKSFZXQISA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCn2ccnc2C1 1749171268 UAPHRLQYTZGZRE-FQEVSTJZSA-N 436.629 4.740 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@](C)(O)c2cccs2)CC1 1749292986 ZXBUTHDBMCDBPX-GAJHUEQPSA-N 442.560 4.683 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC2CCOCC2)CC1 1749335107 ORIBTRJZFQZZLC-UHFFFAOYSA-N 448.970 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)o1 1749360026 RNCFLAZUASYRFY-UHFFFAOYSA-N 430.350 4.934 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749391838 SUQVMUQQRFFXRN-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)o1 1749404048 QBBPRTAPSHRNAQ-UHFFFAOYSA-N 430.350 4.612 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OCC2CC2)C1 1749409766 ZDMMIGRSSLMYKT-YPAWHYETSA-N 430.637 4.948 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1c(C)coc1C 1749528359 MORIGXOGRXHYEI-UHFFFAOYSA-N 429.524 4.799 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1749565386 LDIWSQQEWNTFJR-FQEVSTJZSA-N 437.588 4.771 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(N2CCCCC2)c1 1751091324 HBYMCKGEGGIFOE-SFHVURJKSA-N 449.990 4.770 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC(C)(C)C 1751258075 DHHUOMMCAJZZLX-QFBILLFUSA-N 431.968 4.627 30 10 IJEE Cc1cnc([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)s1 1751732853 BVMKNCJSLKKOAD-OAHLLOKOSA-N 441.004 4.831 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)Nc1ccccc1 1760104393 XRSKDCBCYIAYGH-GOSISDBHSA-N 447.608 4.762 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCCc2sccc2C1 1760304610 AIPORMHOWATEPF-UHFFFAOYSA-N 445.386 4.877 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1760403432 RUACRDFUDWTBBI-NRFANRHFSA-N 428.024 4.657 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1760440983 VNEBEWJWKUGEBL-UHFFFAOYSA-N 442.604 4.898 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(C)CCCS1 1760477473 BGTIVKRBCAXRPY-RDPSFJRHSA-N 442.629 4.659 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1CCc1ccn(C)n1 1760485436 CKTXKWOTLNIFGN-UHFFFAOYSA-N 432.597 4.738 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2oc(CC)nc2C)C1 1760537029 LJBYIUSLOGGNJC-RTWAWAEBSA-N 435.572 4.508 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)cc1 1772759532 SZSCZZFSLYYEAP-KGXKECERSA-N 446.532 4.558 30 10 IJEE Cc1c(Cl)cccc1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12 1858242655 FBRRUUJPIRTICX-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C 1862441567 ACCUDRWIKNGBOI-QFIPXVFZSA-N 440.971 4.959 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1862452514 DPZJVPCPWROORY-KRWDZBQOSA-N 432.701 4.867 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862477918 VONMHNSQVOLGKB-DEOSSOPVSA-N 444.506 4.979 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1862485360 BETXFUNLRAPTNL-HSZRJFAPSA-N 441.483 4.812 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2c(F)cccc2Cl)c1 1862494092 FMVHDLBPXIDXET-BTYIYWSLSA-N 443.902 4.853 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1OC 1862494676 FKORKUXDNDZVBY-HSZRJFAPSA-N 437.536 4.945 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862497511 MAUHMXFVLPRFTJ-LJQANCHMSA-N 428.872 4.853 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862537485 WRYWLTDXYPYUJA-XMMPIXPASA-N 447.531 4.931 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862539450 RXMMPRSYUINMJQ-IBGZPJMESA-N 434.319 4.517 30 10 IJEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1863634682 DAPAEOFAIGUAFZ-UHFFFAOYSA-N 445.346 4.545 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCC3)CC2)nc(-c2ccc(F)cc2)n1 1867984561 DNKLGTYNSKAXSL-UHFFFAOYSA-N 435.591 4.916 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1 1868119704 VXSZBJIVFHTJEV-UHFFFAOYSA-N 444.531 4.771 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1 1868949196 MKIMAZHPHZVZML-RLWLMLJZSA-N 440.534 4.972 30 10 IJEE CCCCOc1cn(C[C@H]2CCCO2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181428 SOHXHCAIBUBBBA-HXUWFJFHSA-N 441.597 4.690 30 10 IJEE CCOCCCn1cc(OCC(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870262734 XUHLADYFJOHOSV-UHFFFAOYSA-N 443.613 4.794 30 10 IJEE C=CCOc1cn(CCCCCC)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1870813283 DVIABVXXSWJBIO-UHFFFAOYSA-N 430.545 4.631 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1cccc(N(C)C)c1 1871225495 BABZSSVUNOEJRI-UHFFFAOYSA-N 447.579 4.950 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1871969179 QVUDYMHIWAPTGK-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871988772 NDGMFZVWLZGFTD-IIBYNOLFSA-N 436.524 4.585 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872137531 XOLQUABDQPBDHB-QFIPXVFZSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872249951 OCDCUFDTQKLYPW-QFIPXVFZSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1cccs1 1872296016 AKBGVAABJDIRQP-IBGZPJMESA-N 441.018 4.940 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)CCCC 1872429251 KBWHSRWNRAPSGT-LJQANCHMSA-N 447.066 4.717 30 10 IJEE COc1cc(-c2csc([C@H](C#N)C(=O)c3ccccc3OC)n2)c(OC)cc1Cl 1872783329 WVXYWKTWYSVXMZ-CQSZACIVSA-N 428.897 4.979 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCc3ccc(F)cc3)ncnc21 1873611641 KTGCLFYADAQLMT-UHFFFAOYSA-N 431.471 4.629 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874231189 XNJIJCCQEWCTTH-WSDLNYQXSA-N 443.916 4.887 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874282959 IKDMCGKRKIQMJY-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874327519 RILZQQFWELYTJL-FSJBWODESA-N 437.525 4.933 30 10 IJEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)ccc1O 1874416881 MWVCGXKGKRJXIA-PCLIKHOPSA-N 430.533 4.758 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccn2C)c1 1874452813 OJHSZPUQKIOJSB-ZVHZXABRSA-N 436.585 4.504 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc1C1CCCC1 1874457373 NBFYHSBYDQQGSK-BUVRLJJBSA-N 425.602 4.667 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1c(F)cccc1Cl 1874524116 XFHIZAVDNFVEJV-BHGWPJFGSA-N 445.951 4.863 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nncn1/N=C/c1ccc(C(F)(F)F)cc1 1874537003 HVCNVKOJIRFLRQ-KIBLKLHPSA-N 433.459 4.527 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2Cl)cc1 1874570782 ITBZTSDTCTVQQI-WSDLNYQXSA-N 437.352 4.776 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C)ccc1OC 1874581214 BWBMIDCVNIFWSM-SOFGYWHQSA-N 446.341 4.567 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2)c(Br)c1OCC(=O)OCC(C)C 1874595479 MYRIMPMNLYWKEZ-PKNBQFBNSA-N 447.325 4.932 30 10 IJEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c1 1874625074 KRZNONZLXUDFHL-VZUCSPMQSA-N 434.423 4.956 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)NCc1ccco1 1874630581 IYZDPNNHCKLIEY-VQHVLOKHSA-N 449.503 4.505 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccncc1 1875128244 AHDBUSNBUYKFDF-BQYQJAHWSA-N 438.277 4.968 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875149983 RPBNXLRKCYCXAR-AWNIVKPZSA-N 430.456 4.858 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC)c(C(F)(F)F)c3)cc21 1890701844 VVZNGNFYQWBTFN-UHFFFAOYSA-N 448.441 4.904 30 10 IJEE CN(CC#CCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Cc1ccccc1 1891791184 BGAYOLKTDIGEAO-UHFFFAOYSA-N 437.518 4.906 30 10 IJEE C=C(COCc1ccccc1)[C@H](COC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 1922054929 NOLNMOOSAGVAGA-QHCPKHFHSA-N 432.605 4.544 30 10 IJEE Cc1cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)ccc1C#N 1952855168 VBVCNBFVHOYJQT-RPLLCQBOSA-N 438.483 4.705 30 10 IJEE CCCCC#CC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024369364 FLXNLEJQBANYMR-QHCPKHFHSA-N 427.633 4.847 30 10 IJEE C#CC(C)(C)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2048679944 BOZUFFROMZOKQU-HSZRJFAPSA-N 441.660 4.964 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)c(O)c1 2079037901 RDPRZFHWGZIXNE-ZDUSSCGKSA-N 449.214 4.638 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079945961 ONAXXFOFJCKGGP-GOSISDBHSA-N 435.309 4.799 30 10 IJEE C=CCN(CC[C@H](NCCC)c1c(F)cncc1Br)C(=O)OC(C)(C)C 2099287307 INDKOXKERMWVDX-INIZCTEOSA-N 430.362 4.837 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](Nc2cc(Br)c(C#N)cc2F)C1 2106026139 PYVODZKCYOUTBV-INIZCTEOSA-N 426.330 4.907 30 10 IJEE C[C@H]1CCN(c2ccc(C#N)c(Br)c2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2118198318 FTNQPCZCGOACCC-GXTWGEPZSA-N 426.330 4.589 30 10 IJEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(c2ccc(C#N)c(Br)c2F)C1 2118200350 DOKAVHFNBHHZOJ-GXTWGEPZSA-N 426.330 4.589 30 10 IJEE C=CCC1([C@H](NCC)c2nc(C(C)C)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2143952211 TWKKOPTWTMBMOD-OAHLLOKOSA-N 441.414 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2ccc(C#N)c(Br)c2F)(C2CC2)C1 2162316888 UACCEAYMGRPZRV-FQEVSTJZSA-N 438.341 4.909 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2cccc(Br)c2C#N)C1 2174807741 FXBICJKTMVSJFK-CYBMUJFWSA-N 444.320 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(c3ccc(C#N)c(Br)c3)C2)C1 2174812088 HAFRXODJJGFRIY-OAQYLSRUSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(CC(=O)C#Cc1ccccc1Br)C(F)(F)F 2235720112 OWQPNURQYQTZHG-GOSISDBHSA-N 448.279 4.853 30 10 IJEE O=C(C#Cc1ccccc1Br)[C@H](O)c1cc(Br)c(Cl)s1 2235720657 PUUAWDLPDUJAMT-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2235748295 YDFUGMVNACZKNB-WDSOQIARSA-N 435.406 4.862 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243917607 VBJXRMLGEJIVPG-UHFFFAOYSA-N 443.478 4.955 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1C#N 2243924196 CRUJWMVKRYRFIB-RIEVBORMSA-N 445.563 4.748 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)(C#N)C1 2243926165 GFCYBLYQKMBIHS-YQXBWWBASA-N 445.563 4.748 30 10 IJEE COc1cc(C=C2SC(=Nc3cc(C)cc(C)c3)NC2=O)cc(Br)c1O 2294025421 WCDLVCIQABLUHW-UHFFFAOYSA-N 433.327 4.672 30 10 IJEE O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 2294217761 LHYUVRPWMPUVPW-SANMLTNESA-N 431.919 4.790 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(CC)CCCN1C(=O)OC(C)(C)C 2296265812 BNXZYIOGLMBSQC-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2(C(=O)C#Cc2ccc(Br)cc2)C1 2296275295 YVASOTIWIXSWKV-HTAPYJJXSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(N)(C#Cc1cccc(Br)c1)C2 2296289809 VTVPNCQWYFQOHN-UHFFFAOYSA-N 433.390 4.746 30 10 IJEE N#Cc1cc(N2CCC[C@H](CCc3ccnc(NC(=O)c4ccc(F)cc4)c3)C2)ccn1 2296587271 WWEQPCQLEMESLX-LJQANCHMSA-N 429.499 4.589 30 10 IJEE CCC[C@@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317308842 MYYAWQIYILSAEA-JKGDOXCYSA-N 431.386 4.832 30 10 IJEE CC(C)c1ccc(NC(=O)CSc2nncn2N=Cc2cc3ccccc3n2C)cc1 2321862574 BZWDCWXEAZANQE-UHFFFAOYSA-N 432.553 4.506 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1 2323358417 NBWOQBXIJLGFAZ-UHFFFAOYSA-N 427.957 4.679 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c(C)c1 2324882612 BSRYSKFIXRQBSS-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4nnc(CC)s4)ccc3C2=O)cc1 2325441831 HUJMEJLIORHEOF-CQSZACIVSA-N 449.532 4.685 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OC 2325683806 CKSAOCNFMCFVTD-UHFFFAOYSA-N 434.242 4.577 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)C(F)(F)F 2325715338 ICZSXKISQZCUOI-UHFFFAOYSA-N 429.188 4.822 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722148 UUFLAMUQWIIDNJ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2330023038 IRYMIAWLTGSMBN-UHFFFAOYSA-N 434.487 4.553 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(Br)cc1 2330507358 DEEXTFJUUWPOOB-HXUWFJFHSA-N 435.406 4.930 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)C1CC1 2330640017 KNLFVRNQAWGQEG-UHFFFAOYSA-N 446.253 4.577 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(N(C)C)cc2)c1 2330965652 MMCKWWICMRXWAK-JOCHJYFZSA-N 435.597 4.987 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)c(OC)c1 2331122863 VRUXTFKKFUCNAY-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)c(Cl)c1 2331232259 BPHWFCXTNMGATC-UHFFFAOYSA-N 439.324 4.772 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331245394 GPOCZQLVSDCILT-LJQANCHMSA-N 436.247 4.882 30 10 IJEE COCc1nnc(SCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331575264 HEAOEFVAJXHSAI-UHFFFAOYSA-N 435.322 4.501 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)C)cc1 2331685070 ZPPWHJQXPXLCQM-UHFFFAOYSA-N 437.569 4.722 30 10 IJEE CCN[C@H](C#Cc1cccs1)c1cc(Br)ccc1I 2338246109 NDUVFDOKPKENBM-OAHLLOKOSA-N 446.151 4.818 30 10 IJEE COC(C)(C)C#CC(=O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338377611 AGHFTIZTDYWXEL-HHHXNRCGSA-N 444.527 4.876 30 10 IJEE C=CCC[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339574461 IGRGMRYTMPCWHS-IBGZPJMESA-N 444.381 4.965 30 10 IJEE C[C@@H]1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339595833 LJHUMVDUXYRHBF-DEWHONNTSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@@H](N)C#Cc3cccc(Br)c3)CCC[C@H]21 2360196025 IKYLAZYELWNESY-FUMNGEBKSA-N 433.390 4.554 30 10 IJEE Cc1cc(CN2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369729065 XYVRZAHBKFTXSM-YTFSRNRJSA-N 448.460 4.778 30 10 IJEE C#CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1-c1cccc(C(F)(F)F)c1 3119501 SWKJFGJIEWEQPY-UHFFFAOYSA-N 433.455 4.619 30 10 IJEE O=C1/C(=C\NCc2ccccc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 20558987 YLIVEOACUSEJPO-PXLXIMEGSA-N 438.936 4.504 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2 20697102 UIZAOZGOVAMMNK-TZBSWOFLSA-N 437.609 4.824 30 10 IJEE COc1ccc(Br)cc1/C=N/Nc1nc(SCCCc2ccccc2)n[nH]1 21080609 YAILHEIQGURKBC-FYJGNVAPSA-N 446.374 4.747 30 10 IJEE Cc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)Nc2oc(C)c(C)c2C#N)cc1 40168121 DSQZGZQBFCOXNM-UHFFFAOYSA-N 428.444 4.867 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(C)c(F)c2)n[nH]1)c1ccc2ccccc2c1 59022314 PNNAEGGHAPUQLA-DICXZTSXSA-N 448.527 4.972 30 10 IJEE C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C\c2ccccc2F)cc1OC 96568753 AQQGHDGLVBDLJR-JNSUZQQQSA-N 425.500 4.620 30 10 IJEE CC(C)CCN1C(=O)c2ccc(C(=O)N3CCCS/C3=N/c3ccccc3)cc2C1=O 97676163 QXKOXMHIVMSRDF-OCOZRVBESA-N 435.549 4.596 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(OC)c(Cl)c1 100195139 KLGIQQPGKWCJCS-YQMDHOPXSA-N 431.945 4.637 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2cccs2)ccc1OCc1cc(C)ccc1C 169907398 QMZKNARDWDWLHD-OEAKJJBVSA-N 444.578 4.655 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(CC)C(C)=C2C(C)=O)ccc1OCc1ccccc1F 169933275 RGGSMSVJXMIGBY-QHCPKHFHSA-N 442.556 4.918 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccs1 169982728 NUSPXMLACGCZOD-QHCPKHFHSA-N 433.529 4.854 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2ccncc2)cc1 170022655 LGCWVWNWOILVNR-OAQYLSRUSA-N 434.879 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170076066 SGFPWRDDBZWTJW-HJPURHCSSA-N 442.471 4.671 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)c1 170154047 DDNNTIQWUCFVLJ-RCDICMHDSA-N 447.512 4.863 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1 170163534 VAORWMNTEUDVDD-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE Cc1sc(C2=C(N)N(c3ccc(C(=O)OCC(C)C)cc3)CC2=O)nc1-c1ccccc1 170181342 RZRNNQXUCOGXSW-UHFFFAOYSA-N 447.560 4.648 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccncc1 170204292 NZTPTPIRYIDXBM-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170214894 ZFTDRCYIEOGOGB-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 170231229 DJXAOMDHRVDKJL-HSZRJFAPSA-N 428.488 4.647 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)c1 170264209 IHXZQMPJCHDOLH-QHCPKHFHSA-N 435.520 4.948 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccc(F)cc1 170271235 FTNNBLQMKPOXGV-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)cc1C 170291005 ZPCCKMVGMCCGIP-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1OC 170434089 PTRLTWDKNYSSKV-IBGZPJMESA-N 433.863 4.621 30 10 IJEE N#C[C@@H](NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1F 208412005 AXCDEHROHPGLFO-JXOZOUPFSA-N 441.441 4.607 30 10 IJEE CCOc1ccc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(C)C2=O)c(OCC)c1 254763618 OTVHFNMNVZWDBK-JTKXPSIUSA-N 440.521 4.504 30 10 IJEE COc1cc(C)cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 427333965 DWTZCUXXZKFZKQ-GOSISDBHSA-N 427.504 4.667 30 10 IJEE CCCc1c(NC(=O)[C@@H](C)CC(=O)c2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 440088112 MHJRMUSDHPLANN-KRWDZBQOSA-N 430.508 4.553 30 10 IJEE CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)o1 442139516 VZNMVWAWLRTGGX-QRWLVFNGSA-N 448.548 4.775 30 10 IJEE N#CCCCn1cc(C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)c2ccccc21 444353583 UBUIAMPKRSOQQW-FQEVSTJZSA-N 438.535 4.750 30 10 IJEE N#Cc1c(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc2ccccn12 469560050 HEFDLVSXZMZJCL-MRXNPFEDSA-N 440.347 4.821 30 10 IJEE Cn1cc([C@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C(F)(F)F)cn1 487747838 IWYHYXFMSRFBQT-SFHVURJKSA-N 434.805 4.771 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 508930478 FCGYEINXHVDTTN-XMMPIXPASA-N 441.535 4.574 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@]2(C1)OCc1ccccc12 571823484 ICUWOYRQMPBVIU-SANMLTNESA-N 425.536 4.649 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1 585912454 ZGBWZYFVMLYKGB-UHFFFAOYSA-N 426.605 4.761 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(Cl)cn1 586214185 UZUGWLAMLNXIKG-UHFFFAOYSA-N 441.940 4.628 30 10 IJEE CCOc1ccc([C@H](O)C[C@H]2SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 606656202 DBOUZNQRYMHJIK-IAGOWNOFSA-N 425.337 4.735 30 10 IJEE CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=Nc2cccc(Cl)c2)S1 725386314 WGMQLHFTLMDWKM-QGZVFWFLSA-N 436.364 4.651 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)nc1C 755881958 ISKRTWJZJMQSFY-HNNXBMFYSA-N 431.562 4.702 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C(C)=C\c1ccccc1Cl 756286111 DUUVCURCLCYYHV-BHWVZIDZSA-N 426.900 4.630 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C(C)=C/c1ccc(Cl)cc1 758872920 IPPFWQLIIUQYKU-INFVRCAFSA-N 426.900 4.630 30 10 IJEE C#CCOc1ccccc1-c1noc([C@H]2CCCN(c3ncccc3C(F)(F)F)C2)n1 762000311 ABTFPWBGTVOTND-HNNXBMFYSA-N 428.414 4.546 30 10 IJEE CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(N(C)CCC#N)cc1 768179515 DYBBWXQEKQOVFQ-UHFFFAOYSA-N 432.490 4.904 30 10 IJEE CC1(C#N)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)CC1 781027667 FGMYNIHQTWYEDT-UHFFFAOYSA-N 446.551 4.820 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 794894532 YUOHSHCBOPLZBU-NRFANRHFSA-N 436.483 4.800 30 10 IJEE CN(C)c1ccc([C@H](CNC(=O)NCC2CCC(C#N)CC2)c2c[nH]c3ccccc23)cc1 799521481 NADIDVAQGSYPRZ-IMQCZEGASA-N 443.595 4.995 30 10 IJEE COCCn1c(-c2cc(-c3ccc(C)cc3)nc3ccccc23)nnc1N(C)C[C@H](C)C#N 802488868 CLBRCAPYISUERD-LJQANCHMSA-N 440.551 4.711 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 806273496 XUDJLNPURQHIIN-QXNWPYRLSA-N 430.573 4.892 30 10 IJEE C=CCn1c(N2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)nnc1C(F)(F)Oc1ccccc1 809922326 SWHWFFSDSJVPIQ-YOEHRIQHSA-N 429.298 4.613 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Oc2cccc(C(=O)NCc3ccccc3)c2)cc1OC 1124640695 DWTNUBHVBICWOA-FYWRMAATSA-N 443.499 4.809 30 10 IJEE Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cnc1N1CCCC[C@@H]1C 1127426512 DASQDQYTEDEFKI-SFHVURJKSA-N 435.547 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1OCc1ccccc1Br 1128537816 DNSANHZEHJYQLA-KKSFZXQISA-N 430.342 4.739 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 1136462734 UMDYSLNCDGMUPQ-YADHBBJMSA-N 442.506 4.672 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1cccc(O)c1)c1ccc2c(c1)OCCO2 1136698229 ZPCSKZSETCLNNQ-UHFFFAOYSA-N 445.515 4.894 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 1142996009 KKXXHGWWVDTOIN-LBPRGKRZSA-N 443.356 4.833 30 10 IJEE Cc1nnc(COc2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)o1 1144443681 HVKRGMBBNLDIPY-UHFFFAOYSA-N 440.459 4.660 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(F)ccc1I 1154367030 GMAZKCACKSRBGO-UHFFFAOYSA-N 425.241 4.580 30 10 IJEE C#Cc1cccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)Cc2ccccc2)c1 1168097784 ZZNROWUGUPCBBO-UHFFFAOYSA-N 438.571 4.539 30 10 IJEE C=C(C)CN(C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 1174742318 JOPXSXFFGGYMSS-UHFFFAOYSA-N 431.989 4.979 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)c2cnn(CC3CCC3)c2)cc1OC 1179764372 RTCKNULQCHAKFG-HNNXBMFYSA-N 434.378 4.870 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1OC 1180178372 VZNTXSJRTOHKHU-FQEVSTJZSA-N 444.959 4.834 30 10 IJEE CC[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1187798845 BPKKSDUIZGIXMC-MOPGFXCFSA-N 433.371 4.668 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 1190752207 JIKIECAVLFIKBQ-LBPRGKRZSA-N 426.355 4.677 30 10 IJEE C=CCOc1ccccc1CN(CCCN1C(=O)NC(C)(C)C1=O)c1ccc(C)c(C)c1 1192071640 WDTBQZGYSYKBJE-UHFFFAOYSA-N 435.568 4.595 30 10 IJEE CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1 1194664666 HWXXVXBDVVSZRW-QHCPKHFHSA-N 449.986 4.994 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccc(F)cc1 1216771634 IGGXRUBJCZEHAO-CTNGQTDRSA-N 444.432 4.905 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)CCCC1 1221933219 TYNCQEZWXIRHDA-HSZRJFAPSA-N 440.609 4.984 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1264263035 GLSGBKWHCRATRM-AREMUKBSSA-N 429.516 4.820 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC1CCCC1 1286299748 YOHBQHQNMMBYMU-CTNGQTDRSA-N 443.636 4.821 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286345212 VLSFDASHDHSFGG-KRWDZBQOSA-N 446.426 4.976 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286589655 BEVHDGFBPRXLQW-OAHLLOKOSA-N 438.359 4.543 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC2(C)C)CC1 1286648086 BUJOHPNPHSYFKQ-INIZCTEOSA-N 431.378 4.822 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1286685389 UAISJEJHJDQBBX-NRFANRHFSA-N 446.599 4.588 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C)C1 1286707704 HNAJUQLHQZOSOM-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@H]1C)C1CC1 1286731947 HEISAAJJXNNZCR-MSOLQXFVSA-N 429.996 4.711 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](OC)[C@H](C)CC)C1CC1 1286738784 CZWATQDFYJQXIM-YZGWKJHDSA-N 447.624 4.566 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCc1cc(C(F)(F)F)ccn1 1286756139 QJWJWPUUBVVFIL-UHFFFAOYSA-N 448.880 4.828 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(C)CCCS1 1286767915 KJINZXOIFYAKMM-HSZRJFAPSA-N 439.585 4.525 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1nn(-c2ccccc2F)cc1Br 1291878265 WUOYOGMUIZRYBA-UHFFFAOYSA-N 444.304 4.611 30 10 IJEE CCOc1ncccc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1296894394 HJTPCWALPDAFTK-UYAOXDASSA-N 448.571 4.615 30 10 IJEE C=CCC[C@@H](CO)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 1297803152 VIBASSBAFMOXMG-QQQXLFEASA-N 427.429 4.552 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCCC1 1298526548 GHWBKRNBYHPISI-UHFFFAOYSA-N 448.615 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCC1(F)F 1300561294 NBBHESJHRUHFRO-SFHVURJKSA-N 448.464 4.835 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1300602042 NOXLBXNEQIVNPA-KRWDZBQOSA-N 447.530 4.998 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nc(C(C)(C)C)cs1 1300619288 VAAIBPIKWUPXFR-UHFFFAOYSA-N 446.580 4.862 30 10 IJEE C#CCN(CCOC)c1nnc(CCCc2ccccc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1300675152 MMXCBVZMIHGVQA-RTWAWAEBSA-N 448.533 4.833 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1C 1300983452 ZMINAGDDOXBDSI-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1301119471 KCJFIHZSVYJDNQ-GOSISDBHSA-N 425.577 4.569 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCC(F)(F)C2)CC1 1301135652 MXRHXYHNYNGTQL-UFYCRDLUSA-N 438.563 4.620 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1csc(CC)n1 1301196427 BORDSYDFKXOMSO-UHFFFAOYSA-N 438.601 4.769 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCSC2(CCCCC2)C1 1301246219 QEPFYGIUEQGPFH-UHFFFAOYSA-N 442.629 4.803 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCN1CCCCCC1 1301280571 QMDAPXSAJYJQAC-UHFFFAOYSA-N 435.572 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1Cc1c(C)nn(Cc2ccccc2)c1C 1301403514 KQLQLQAGKLJQQX-UHFFFAOYSA-N 432.616 4.955 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2CCCCC2)C1 1301546709 UWJLCCGJWBVYIF-OAQYLSRUSA-N 440.588 4.714 30 10 IJEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1CC(F)(F)C1 1302064703 AAPIXSFZXCCRDW-UHFFFAOYSA-N 429.515 4.540 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1)OC 1306408666 CZRZFVOFYPVEIN-SXSPYAJSSA-N 439.604 4.662 30 10 IJEE CC1(C)CC(=O)c2cnc(SCC(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)nc2C1 1307367918 DQISCXJXLGRAMK-OAHLLOKOSA-N 448.573 4.724 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCO[C@@H](C(C)C)C2)cc1OCC 1308410228 OAMISDDLCXAEJR-QFBILLFUSA-N 426.395 4.953 30 10 IJEE Cc1cc(C#N)cc(NC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 1310871251 CEMBLXGGAWYNQI-FQEVSTJZSA-N 426.561 4.758 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1(C)C 1311548429 NOFTZXLHGBUGMU-KRWDZBQOSA-N 428.455 4.802 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C2(c3ccc(C)cc3)CCC2)c(C(=O)OCC)c1C 1352793917 ZHXIECHANUXEEI-UHFFFAOYSA-N 441.549 4.945 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CC(F)(F)C(F)F)c1ccc2c(c1)OCCO2 1355189265 AEXQMBUSTRGZHX-UHFFFAOYSA-N 439.405 4.846 30 10 IJEE C#Cc1ccccc1CC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1357120899 SFLXFHAYZHSSBT-DEOSSOPVSA-N 446.641 4.910 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 1357255448 WEDMIHMJMKCLSX-AOYPEHQESA-N 446.639 4.582 30 10 IJEE C#CCN(C(=O)c1cnc(-c2cc(Br)ccc2OC)s1)C1CCCCC1 1357291159 KHDYVILBOKFRAR-UHFFFAOYSA-N 433.371 4.989 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](c1cccs1)N1CCCC1 1358938815 KBPWUFJBTRLHOG-FCHUYYIVSA-N 433.625 4.788 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[C@H](F)C2)CC1 1359181957 NINMWMXGSZCTOO-UFYCRDLUSA-N 447.599 4.891 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359185042 JQYNSDTXZDAYQT-UHFFFAOYSA-N 443.599 4.841 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1359192479 GSNGDGRIUWCJHJ-OAQYLSRUSA-N 440.563 4.970 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359223842 XPUHTJFMSBLMFH-XZOQPEGZSA-N 438.616 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOC(F)(F)F 1359233253 XEPXZXCVXLKXRJ-UHFFFAOYSA-N 437.491 4.926 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1359234331 LOZPBOXHYXCGAH-IRLDBZIGSA-N 432.597 4.584 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 1360321073 CPAKARWNFVKDBO-JPYJTQIMSA-N 444.934 4.658 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1ccccc1OC)[C@@H]1CCOc2ccc(Br)cc21 1435174085 DISQZLQGBPTBSO-FZWACIFYSA-N 440.337 4.847 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c(OC)c1 1441355720 BUWKOCPHBMKZKX-UHFFFAOYSA-N 432.520 4.923 30 10 IJEE C#CCN(CC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1)C(=O)OC(C)(C)C 1443641774 GYTHULNQZOLLCR-UHFFFAOYSA-N 438.490 4.847 30 10 IJEE C=CCn1c(SCC(=O)N(C)Cc2cc(C)ccc2F)nnc1-c1ccc(Cl)cc1 1459661274 KPDCMPIHWJQTBL-UHFFFAOYSA-N 444.963 4.983 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1464229571 DHZQXXRQPZRIOL-FUHIMQAGSA-N 449.567 4.627 30 10 IJEE CN(C)C(=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(F)c1 1467086561 GYQQVVJXPYLDSZ-UHFFFAOYSA-N 448.473 4.773 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccc(Br)cc1 1469000473 QNXKJGMINTWSIR-HNNXBMFYSA-N 443.675 4.878 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1469756124 HHBANNDYNACFRE-IBGZPJMESA-N 428.511 4.957 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C(F)F)c2ccccc12 1470961836 YHFBBVSJICVTID-OAHLLOKOSA-N 427.879 4.689 30 10 IJEE C=C[C@H](CC(=O)NCc1cc(Br)cc(Br)c1N)c1ccccc1 1471955728 NOFCIZRYPJCAGB-GFCCVEGCSA-N 438.163 4.770 30 10 IJEE C#CCN(C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@@H]1CCCc2ccccc21 1473825666 BUKWBIIIGDKDHU-ISKFKSNPSA-N 438.612 4.805 30 10 IJEE CC(C)(C)OCc1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1477139321 BYGAVQGPANRGRW-UHFFFAOYSA-N 426.948 4.881 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1479204472 SMZNXPURWXVBKE-NRFANRHFSA-N 449.636 4.571 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(CC(C)C)CC2)c1 1504123754 CLXOKVINRHPVSQ-XMMPIXPASA-N 437.588 4.919 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CCC(C(F)(F)F)CC2)cc1 1504155169 CSDICFFTHMICGD-KLHKWILBSA-N 435.494 4.918 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC(F)(F)C1 1507523384 NUWILASJQMCHNT-CABCVRRESA-N 437.332 4.909 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1507593359 NFDSKLSHIUPXHS-OAQYLSRUSA-N 445.007 4.526 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C=C)CC1 1507749666 YGUMTDWUYAXRTG-UHFFFAOYSA-N 445.430 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H](C)CCC 1507797912 SYKMHVVUTGILGJ-LZNRXBQRSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H](C)CCSC 1507798122 URFNYECCQSVGDY-QFUCXCTJSA-N 430.618 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1507818048 KOOCJPCRRFYZPX-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1507872755 GMUDXONXCPSKQC-HXUWFJFHSA-N 430.980 4.870 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507901213 DHRAFOGQGFCDLA-QHCPKHFHSA-N 425.596 4.531 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1507924371 MDJLZFUBWUQYLX-NSHGMRRFSA-N 440.542 4.766 30 10 IJEE C#CC[C@]1(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)CCCN1C(=O)OC(C)(C)C 1521720316 KCGCAFQZHBXDBH-HSZRJFAPSA-N 436.955 4.666 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc(C)c(C#N)c2)sc2c1CC(C)(C)NC2(C)C 1521771115 FWJLEWRZDISSLW-UHFFFAOYSA-N 425.554 4.517 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 1523858775 MSNHEOCUUBFJPO-ALCCZGGFSA-N 449.334 4.725 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3)CC2=O)cc1 1526497518 FVYVLIWCSDZPCG-QPPBQGQZSA-N 443.934 4.665 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2)c1ccc(Cl)cc1F 1528108200 JKZQZRKLHWBWPF-LJQANCHMSA-N 425.866 4.705 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1535744036 MRJAEIXELDIXPB-JOCHJYFZSA-N 425.573 4.937 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccc(C(F)(F)F)cc1 1536398046 HPLRTIVPHHTAAX-LJQANCHMSA-N 430.426 4.946 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)cc21 1536839785 KTUOGIAWLORRGC-UHFFFAOYSA-N 427.295 4.671 30 10 IJEE C#CCN(C(=O)c1ccc(OC)c(C2CC2)c1)[C@@H]1CCOc2ccc(Br)cc21 1538198391 IRMKMBHPBFQMNN-HXUWFJFHSA-N 440.337 4.934 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(I)ccc2C)cc(OC)c1OC 1538845816 FIYGFICBXQMSIT-UHFFFAOYSA-N 437.277 4.598 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCC(C)CC1 1538983431 RTYCRZJGOCBLNJ-UFYCRDLUSA-N 439.673 4.710 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC1CCN(CCC(C)C)CC1 1539564177 WRNLLJAIQSHOGS-RUZDIDTESA-N 439.673 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)Nc1c(C)cccc1C 1539659255 PQZWBMJODJPMOP-UHFFFAOYSA-N 438.963 4.651 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cc(C)on2)CC1 1539835813 IKENFBMDJNGTPA-UHFFFAOYSA-N 428.334 4.517 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCOc2ccc(C)cc2)CC1 1539854283 AWWBVZHJARWPGY-UHFFFAOYSA-N 437.613 4.958 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2CCCC2)CC1 1539856293 XKPOCKVQUAVAKH-UHFFFAOYSA-N 431.378 4.966 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)CC1 1539875365 WSEWVDVIZDWEEM-QGZVFWFLSA-N 440.979 4.679 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCC2(COC)CCCC2)CC1 1539895784 ABFDDTUGMAHXBO-UHFFFAOYSA-N 442.579 4.996 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](CC)C1)c1ccccc1 1539948611 QPIPWHONDBACHD-BGWNEDDSSA-N 431.584 4.628 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCc1cc(C(F)(F)F)ccn1 1540084184 OWEAWBARVKULBH-UHFFFAOYSA-N 440.473 4.560 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCc1sc(C)nc1C 1540134017 NAOPDEJRFZEAHD-UHFFFAOYSA-N 448.571 4.988 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CCC(C)C 1540865304 BCDKUGSYLPMBGE-UHFFFAOYSA-N 441.576 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2CC(C)(C)C2)C1 1540886872 KRROQSGHYIKUAJ-GOSISDBHSA-N 430.980 4.825 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CCCN1C(=O)OC(C)(C)C 1542203583 MMJNPPLGHQYHNZ-UZUQRXQVSA-N 448.633 4.659 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C)(CC)C2)c1 1556728504 GUVASJIIUXRFHR-UHFFFAOYSA-N 432.973 4.593 30 10 IJEE C=CCNc1ncc(C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)s1 1556852798 JVRZGNULHQDOJQ-KRWDZBQOSA-N 430.574 4.517 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 1558020607 SDTXSHGMBUYEIB-LEWJYISDSA-N 438.572 4.607 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2cc(C)c(I)cc2C)cc1 1560338597 DXQWWERVFGCJGU-UHFFFAOYSA-N 435.309 4.828 30 10 IJEE C[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1564468139 HFIAHRWSOWGASI-FDDCHVKYSA-N 430.552 4.519 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Cc2ccccc2F)CC1)c1ccc(Br)cc1 1564999384 JGLBOEJTQFIZMM-OAQYLSRUSA-N 429.333 4.927 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1csc(C(C)C)n1 1587667737 MCQIEZHCBNIRDR-LJQANCHMSA-N 437.613 4.754 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H](C)[C@@H](C)c3ccc(Cl)cc3)n[nH]2)c1C 1587735343 ADBCOSIOWQUARW-GDBMZVCRSA-N 425.964 4.994 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCSCC(C)C 1588189193 FHTVUNQUDRTCNP-UHFFFAOYSA-N 431.609 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCc1nc(C(C)(C)C)cs1 1588210565 JPWIHGRRECXEDO-UHFFFAOYSA-N 435.572 4.544 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1588434215 WVQRBEWSWZCVKB-UHFFFAOYSA-N 433.531 4.845 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1589171589 KXPWVFRQRNJALB-NDBKNAECSA-N 444.526 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1cc(COC(C)(C)C)on1 1589223903 RYUGWSOMYGRDQT-AREMUKBSSA-N 447.583 4.521 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1589242631 CYPVVYFFQJIDBC-XCRWMPKNSA-N 449.643 4.668 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1589316463 CAYZUMCQYFXYEE-QZTJIDSGSA-N 446.418 4.836 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1589515491 OERKQPJJTGVKFV-UZLBHIALSA-N 429.927 4.683 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1593851860 GYFQCQBTHWJINA-INIZCTEOSA-N 436.869 4.754 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCC(C)(C)O)CC1 1594208351 GALGYROHIWYCDP-UHFFFAOYSA-N 436.556 4.681 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2cnn(CC(C)C)c2C)CC1 1594247699 OYZKMUJMSCUJJU-UHFFFAOYSA-N 436.579 4.620 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CCCO1 1595162062 UTMVFEDQPAXQBF-HSZRJFAPSA-N 444.551 4.970 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCOc1ccc(C)cc1 1595343168 DVBLBSLKSYZYIT-UHFFFAOYSA-N 433.375 4.779 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C)s2)C1 1595688702 MWUNNVKEUPXXDC-GOSISDBHSA-N 446.523 4.746 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1595860375 MZNZRDPOZSSQFU-UHFFFAOYSA-N 425.646 4.565 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccoc1C 1595866354 HSMKBRXVPXBIGF-UHFFFAOYSA-N 434.569 4.588 30 10 IJEE C=CCSCCn1c(N2CCC([C@H](O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1595906069 XILNLWGIESSIOV-HXUWFJFHSA-N 432.609 4.584 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1-c1ccc(Cl)cc1 1596968530 XIZOMCVBKCEFJG-UHFFFAOYSA-N 435.336 4.874 30 10 IJEE CC[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 1623285026 GUFHWRBWTSOMIB-NRFANRHFSA-N 448.958 4.698 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)on1 1623510005 OVABKRXTXYNHEZ-JOCHJYFZSA-N 431.492 4.795 30 10 IJEE C#C[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 1628629234 ZJQABHKSUZPCNU-QZFKAFNDSA-N 437.326 4.752 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCc2ccc(OCC)cc2)CC1 1629111273 DNXPPCQGZHKOOT-QHCPKHFHSA-N 442.600 4.563 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 1634738116 NKPKXLPKYCWOSX-OAQYLSRUSA-N 449.494 4.870 30 10 IJEE C#CC[C@@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1ccccc1 1636574433 WACOODABWSRXTN-LJQANCHMSA-N 439.581 4.752 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)C(=O)OCC 1636822549 QTUSHOQDZQGVAH-OAQYLSRUSA-N 434.540 4.615 30 10 IJEE C[C@H]1c2cc(Cl)cc(Cl)c2CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1644780585 CDLFMTAGKCEBRG-AWEZNQCLSA-N 440.334 4.609 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1658744008 HLGRVNQUDCCAPQ-QUCCMNQESA-N 442.560 4.600 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)C[C@H]2CCCC(C)(C)O2)c1 1659248758 RTAOJYZENGALFG-HXUWFJFHSA-N 444.549 4.539 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(N2CCOCC2)cn1)c1ccc(C(F)(F)F)cc1 1660841486 SFWHJHFYFQNPOL-IBGZPJMESA-N 434.462 4.766 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 1662513622 JJQKIVMHQRKUSO-DNQXCXABSA-N 444.641 4.895 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 1666587373 KMJYBRSOEHIFAV-UHFFFAOYSA-N 434.480 4.589 30 10 IJEE CCN(CC)[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)Cc1ccccc1 1670745410 GLHAUYSEGOWEKV-IBGZPJMESA-N 434.462 4.531 30 10 IJEE C=CCC[C@@H](NC(=O)NCCn1cc(Br)cn1)c1ccc(C(F)(F)F)cc1 1670826795 NPPYSJQJNRIXRG-MRXNPFEDSA-N 445.283 4.671 30 10 IJEE C#CCN(C(=O)NCc1ccc(Br)cc1OC)[C@H]1CCCc2ccccc21 1671944054 CMBCCTCOEJLJHF-FQEVSTJZSA-N 427.342 4.680 30 10 IJEE C=C(CC)CNC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I 1673614815 KUGKSRPBNJBOBH-SFHVURJKSA-N 438.284 4.785 30 10 IJEE C=C(C)c1cccc(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 1675378475 UQBPMLRHZLGXCR-NRFANRHFSA-N 433.474 4.934 30 10 IJEE C=CCC1(CNC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)CCCC1 1675398617 DDDOMUWENSRJCX-FXAWDEMLSA-N 437.987 4.677 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)NCCc3cc(C(F)(F)F)ccn3)cc2)ccn1 1678172372 DLRVIELSALZLJP-UHFFFAOYSA-N 427.386 4.524 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)c1ccccc1 1679252369 SESXEQBTOQTVTP-QUCCMNQESA-N 426.948 4.803 30 10 IJEE C=C(CNC(=O)N[C@@H](C)CCc1ccc(I)cc1)c1ccccc1 1682022316 YCLMQVMSPMDHGI-INIZCTEOSA-N 434.321 4.625 30 10 IJEE C#C[C@H](NC(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 1682352418 MQBBQTJYNUZMKZ-FQEVSTJZSA-N 444.000 4.802 30 10 IJEE C=CCCCCCCCNC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1683130668 KXJJGXFANIQRMB-RBUKOAKNSA-N 431.543 4.878 30 10 IJEE C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1685418231 CLLODYLLWKHNKK-OAHLLOKOSA-N 442.332 4.890 30 10 IJEE C=CCC[C@H](NC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C[C@@H](C)O2)C1)c1ccccc1 1685799368 VGNDDBILAPRDSS-BUALBWRZSA-N 433.596 4.769 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)[C@H](C)CC(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1686922656 MYJQTDIZKJWPGJ-IIBYNOLFSA-N 429.923 4.992 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 1687036813 WEHVKTAJPQTWNI-LPHOPBHVSA-N 448.405 4.944 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1687156689 OYJHPRDCYZZSOW-DFBJGRDBSA-N 443.588 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1nccs1 1689838197 UZEDZUYPBUMHMR-HNNXBMFYSA-N 437.569 4.970 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1689877124 QXIZKFGTOYXDTK-PZJWPPBQSA-N 440.563 4.614 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1689940265 SRRVIYFPVPOQDV-JOCHJYFZSA-N 434.540 4.776 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)c1cccs1 1690054406 VRTCJXZWTNYQSC-UHFFFAOYSA-N 446.620 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(NC(C)=O)cc1 1690063949 VQGHDLLROGRJFO-UHFFFAOYSA-N 447.608 4.742 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCCN1CCCC 1690067721 IFLCUXWBNUUMNC-JOCHJYFZSA-N 430.600 4.607 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1coc2ccccc12 1690086163 TYIXMGBLOYYDKQ-FQEVSTJZSA-N 449.555 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1690214677 RVDHZRCFFYCUPN-GRYUFTJMSA-N 436.625 4.852 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC(C)(C)C1 1690249102 TZXCRZJRSSRXKO-HTAPYJJXSA-N 430.543 4.755 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](C)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1690447641 UMKGWLJXWWCXMN-SYVJQLTCSA-N 438.616 4.917 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C)o1 1690483912 YUKNCGNVISPQQD-IBGZPJMESA-N 443.592 4.897 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1690550214 RTGJWDPJECMICL-UHFFFAOYSA-N 447.583 4.941 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1693709998 HKSHZYZZHKCIBE-KGLIPLIRSA-N 446.502 4.769 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2CC2C[C@H](C)O[C@@H](C)C2)c1 1697510505 HEUHEDBWMZQJHF-PMACEKPBSA-N 439.604 4.923 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1705505625 MHIKRJBKYWKLJG-JAXLGGSGSA-N 426.630 4.932 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(OCC)cc2C1 1705539956 IJMOTRAFZJVYGV-DHIUTWEWSA-N 436.600 4.572 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCc1nc2c(s1)CCCC2 1705557924 CQTGGJBAGHKZQO-UHFFFAOYSA-N 437.638 4.526 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)CN1CCCC1 1705606955 LYVWZVZWLLGEKM-IBGZPJMESA-N 439.673 4.713 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CC1CCC1 1705679057 ALYPXQNVAHFRSS-UHFFFAOYSA-N 446.393 4.682 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1705687435 CUMASKMFEFKWEQ-ZDUSSCGKSA-N 425.321 4.787 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2c(C)noc2C)CC1 1705785034 SWQDAHGXMAVRES-INIZCTEOSA-N 439.535 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCCC[C@H]2C1 1705794284 BNYQSRZBIUYXNI-QFIPXVFZSA-N 437.632 4.751 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705809245 LLBDHGXMPUWSTG-QGZVFWFLSA-N 448.036 4.543 30 10 IJEE C=CCCCCn1c(N2CCC[C@H]2c2ccc(C)o2)nnc1[C@]1(OC(C)C)CCOC1 1705810260 SJJMSCUDCPUQQG-RDPSFJRHSA-N 428.577 4.918 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1705815990 QPDDMTOBEKATDU-HXUWFJFHSA-N 426.458 4.580 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(Br)cs1 1705817322 HKNHLDGATLTAFE-INIZCTEOSA-N 425.396 4.946 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1CC 1705857435 VMFDWQYEOGBCBW-NHCUHLMSSA-N 432.572 4.763 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1705882597 CVMHYWXRMCTITB-SFTDATJTSA-N 439.648 4.649 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1705940109 VPBKOHWIRBDBFV-QGZVFWFLSA-N 441.645 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@H]1CC[C@H](F)C1 1722475721 VGZFIGAKGHDXHX-IUKKYPGJSA-N 428.577 4.709 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(CC)Cc1ccc(OC)cc1OC 1722477572 HSAFIIBOGLVFTA-AWEZNQCLSA-N 437.382 4.744 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCSC(CC)(CC)C1 1722493684 KSEHBUIHUDTADA-ICSRJNTNSA-N 430.618 4.940 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 1722495247 WFOIYSAPDUIHED-RCCFBDPRSA-N 437.426 4.898 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccc(C(N)=O)cc1 1722520914 RSWWYJYHMZFHIU-UHFFFAOYSA-N 435.597 4.587 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1722532638 RVGHWNBGWCAFFX-YADHBBJMSA-N 429.653 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722591304 NLRQETYGDLDUBZ-UHFFFAOYSA-N 435.576 4.500 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(C)c2)CC1 1722600849 BXEJYRILYQUQAK-UHFFFAOYSA-N 436.991 4.985 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1c(CC)noc1C)C1CC1 1722648451 SHFXBBWLIDPAJC-UHFFFAOYSA-N 442.361 4.770 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H](C(C)C)N1CCCC1 1722656955 MHKZVJBSPMMXIH-DEOSSOPVSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1ccc(OC)nc1 1722664039 OIFUFEMUZAHYEF-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCOC1 1722668415 PYXUWPQQIYHMET-AWEZNQCLSA-N 437.769 4.576 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](C)N2CCCCC2)C1 1722714596 IMGIKTYINYBLRR-VQTJNVASSA-N 444.023 4.644 30 10 IJEE CC(C)c1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccco2)cs1 1723128836 BJOCIZMHKHMWME-UHFFFAOYSA-N 432.553 4.869 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)C1 1729263862 CVFRDVPGNOFFLS-ILZDJORESA-N 445.658 4.591 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1nc(C)cs1 1740633384 GBPJORMKMSXTBE-SJORKVTESA-N 449.649 4.773 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCC(F)(F)C1 1740634155 HKCPEWHLWJPOQM-HXUWFJFHSA-N 440.538 4.878 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCCc2sccc2C1 1740719269 IZBDHVIYIPHQHU-UHFFFAOYSA-N 444.576 4.528 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1740746001 BPUQHFWEUADKQF-GOSISDBHSA-N 442.361 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1740762011 QPEFLXYTKNANCR-NOXFTYBFSA-N 442.604 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1oc2ccc(F)cc2c1C 1740769526 YSKNRSSHYQBYPE-XMMPIXPASA-N 442.535 4.575 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1740804979 HOQCQBOHAGFKQA-YOEHRIQHSA-N 440.922 4.940 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](SC)C2)cc1 1740967227 AAZGSPATVSRMPU-QHCPKHFHSA-N 449.624 4.599 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCCCC2)C1 1740972660 KXBKLVMPTINZIF-ICSRJNTNSA-N 428.552 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC=CO2)C1 1740975087 MAADEZLMUWMJPC-IAGOWNOFSA-N 435.355 4.726 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCC[C@H]2C)C1 1740978501 WMBODVANXCKIML-UXHICEINSA-N 444.023 4.644 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCC(F)(F)F 1741124618 GCWIXBCKPAAEAN-LLVKDONJSA-N 448.262 4.785 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@H]1C 1748702746 CETNVDZECOTUCS-HZPDHXFCSA-N 431.378 4.754 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Br)cc1 1748708076 URVCFPCSRBXXHX-UHFFFAOYSA-N 426.362 4.518 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CC1CCC(C(F)(F)F)CC1 1748934791 DZLKYDDXKNQUQI-UHFFFAOYSA-N 434.506 4.994 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C)CC1 1749136808 SCFSUNTWCVIKFW-HOKHCIIBSA-N 438.616 4.680 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCOCc1ccccc1 1749209021 JPPAUYKJJFDZNQ-FGZHOGPDSA-N 426.605 4.816 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCc2csc(C(C)C)n2)CC1 1749305421 VIKZWXXXNVXXIS-UHFFFAOYSA-N 425.577 4.987 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1749347947 VMCYYAILKVIXMO-SSEXGKCCSA-N 446.686 4.828 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749413057 ROWWZCINCTWUNH-JTAQYXEDSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)CCC)CC1 1749417777 OVSIUORUIVAAHX-UHFFFAOYSA-N 433.959 4.589 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749434643 ZQWHEFLOMBOWNS-JOCHJYFZSA-N 434.588 4.787 30 10 IJEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(COC(C)(C)C)c1)C1CC1 1749524783 COYPSARDAOPPAM-UHFFFAOYSA-N 448.615 4.658 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1c(CC)nn(C)c1CC 1749539376 ZZTNBQCSNRVDGH-UHFFFAOYSA-N 444.583 4.946 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCN1CCC(C)CC1 1749551243 SYJSSMGQKDUFCN-UHFFFAOYSA-N 436.629 4.635 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1OC 1749763992 PCDYJRAFUJRVIM-TZIWHRDSSA-N 444.645 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C(C)(C)C)cs1 1760102352 IPTJFADEXIXHTP-CQSZACIVSA-N 445.539 4.807 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC(c2nccs2)CC1 1760357778 ITLCMLRVUUOQIV-UHFFFAOYSA-N 437.613 4.611 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H](C)N1CCC(C)CC1 1760478748 QJUUXIIYPWGZLN-YADHBBJMSA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1CC 1760482039 QBVSPUDNMYWEKW-YADHBBJMSA-N 444.583 4.944 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCc1cc(C)cc(C)c1 1760483984 ISFZAYRVFHBDCJ-UHFFFAOYSA-N 437.613 4.530 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1760491488 JEXAVNYPILWFHO-KDURUIRLSA-N 429.012 4.540 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760692269 BYOYYHOZAAMIEL-IXFSTUDKSA-N 429.012 4.705 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)c(C)o1 1761653824 HBZJVGJBZNGRRS-AREMUKBSSA-N 447.583 4.734 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCC(F)(F)C2)C1 1770730653 BSUHDWXORZUEAH-KKSFZXQISA-N 435.469 4.666 30 10 IJEE CCCc1nc2ccc(C(=O)NCc3ccc(C(=O)Nc4ccc(C#N)cc4)cc3)cc2[nH]1 1860855335 LTQKPSLZLWXZGF-UHFFFAOYSA-N 437.503 4.569 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1 1862090314 FVNKBZSODWPBRJ-SFHVURJKSA-N 438.531 4.702 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862417552 UIWNEALTHUDLLX-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862447089 HQTCGZBFEBQQMD-LJQANCHMSA-N 425.868 4.559 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(Cl)cc2)cc1OC 1862569876 WXCGUDLRGWYGTJ-NRFANRHFSA-N 443.927 4.982 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2)cc1OC 1862576467 VHLIQBBJEQUXRU-ZDWFVDTJSA-N 435.520 4.861 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 1862583413 ASCHDDNGPMKMQT-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(O)cc2)cc1 1862590563 LGMQYRVDPYSNFB-GYCJOSAFSA-N 443.499 5.000 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862673767 ODIUPBGUVZRMED-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1862676264 FOBNGSQGXWGFFU-IBGZPJMESA-N 438.436 4.574 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(OC)c(O)c1 1862704623 DYBUSEJWGDOGNQ-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862760714 UTCZTGQTWQYUJR-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1 1862791008 RLBNGGWKTAONHQ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1 1863146209 QKRAOTDJCVIGLL-INIZCTEOSA-N 441.462 4.659 30 10 IJEE C[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc(C#N)c1)C1CCCC1 1867021046 JCTCJSCYZDKKSM-JPYJTQIMSA-N 435.593 4.741 30 10 IJEE Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871362856 NHRQZKLLBXADLD-NVMNQCDNSA-N 434.275 4.749 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@H](C)O[C@H](C)C3)C2=O)c2ccccc21 1871395318 NQAVKEZBOUZJBS-SJJGZAMRSA-N 432.520 4.592 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871411190 GCUZALOFGRQYOS-VRHSPDTKSA-N 433.435 4.857 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1Cl 1871453141 IXLQSPBFIIDYSE-JAIQZWGSSA-N 425.824 4.575 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)c1 1871460154 YCSLQTUFXDCKNF-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N(C)C)n1 1871480143 KRQBOLVDHVBRSO-UHFFFAOYSA-N 427.597 4.614 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 1871862058 XOHHFOJVYNWCMC-JOCHJYFZSA-N 432.561 4.898 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872513199 KZFWLQLBELQFQV-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CCC 1872581013 POIGUDOTIFRUDC-QFIPXVFZSA-N 437.650 4.566 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccccc2[N+](=O)[O-])n1 1872789008 WKZXUXAGNMGZKW-HNNXBMFYSA-N 427.869 4.799 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cc(OC)ccc1OC 1874264547 DIPIZFNTLKORRZ-YDZHTSKRSA-N 444.944 4.688 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccc(O)c2)cc1 1874349281 CUIKFYIMTMHDPN-CVKSISIWSA-N 448.523 4.897 30 10 IJEE O=C(CSc1nnc(CCc2cccs2)n1/N=C/c1ccccc1)Nc1ccccc1 1874368959 CHYCZHZCYYKKNA-LFVJCYFKSA-N 447.589 4.738 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(SCCO)nnc1-c1ccccc1Cl 1874369607 IVMCFUCPHNYXST-ZVHZXABRSA-N 438.940 4.727 30 10 IJEE C=CCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874390017 QBYQASOGLRBMGI-LPYMAVHISA-N 427.917 4.899 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccc(F)cc1F)NC1CCCCC1 1874455817 MEXBQUXSCXOQQE-DHRITJCHSA-N 447.555 4.637 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)cc1 1874523119 WZFHGZOLPOXTEU-BHGWPJFGSA-N 444.919 4.909 30 10 IJEE CCN(CC)C(=O)COc1cccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)c1 1874598838 HPQZBGUNMVOVRW-ZHACJKMWSA-N 431.916 4.501 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccccc2OCC)CSc2nnc(COC)n21 1874871757 GDXXTBGBGPNSET-IBGZPJMESA-N 446.617 4.885 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 1875112679 NYLOTWCENOPGEN-KPKJPENVSA-N 436.435 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c(Br)c2)cc1 1875113993 IUKGXYYXERWXIG-ONNFQVAWSA-N 438.277 4.968 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(F)cc1 1875151251 BYQPRGIXKTZYAZ-RUDMXATFSA-N 434.419 4.607 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc4c(c3)[C@H](C)CCN4C)ccc21 1890572135 YMEYWOGDJCHGJS-QGZVFWFLSA-N 433.552 4.820 30 10 IJEE COc1ccccc1OCC#CCNC(=O)CCc1cccc(Oc2ccc(F)cc2)c1 1891671392 DLEHSUUIMFYILC-UHFFFAOYSA-N 433.479 4.758 30 10 IJEE FC(F)(F)[C@H]1CCSC(=NCc2c(Br)cccc2Br)N1 1918520971 XZFCTMYGOJYKKO-SNVBAGLBSA-N 432.103 4.725 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(CC#N)CC1 1984689821 BPOKTUGHJVFEOD-RUZDIDTESA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2013355165 QIXIRUMUOOOIOB-WOJBJXKFSA-N 447.498 4.859 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038664529 DMMCWBVJOGEYEW-GJZUVCINSA-N 439.600 4.884 30 10 IJEE Cc1ccc(N2CCN(N=CC3=C(N4CCOCC4)C(=Cc4ccccc4)CC3)CC2)cc1 2042434397 AOUPAYSHMQFYPR-UHFFFAOYSA-N 442.607 4.567 30 10 IJEE C=CCC1(C(=O)Nc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2060607975 AKGJAFMQXGQQRD-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](O)Cc2ccc(Cl)c(Br)c2F)C1 2077089803 LSJKTRUDJUWKBL-ZDUSSCGKSA-N 434.733 4.759 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 2078849737 YTARYKLZXRFONO-CYFREDJKSA-N 445.560 4.976 30 10 IJEE C=CCN(CC[C@@H](Cc1ccc(Br)c(F)c1)NCC)C(=O)OC(C)(C)C 2099289535 ZWWAIJDOXRUMEP-INIZCTEOSA-N 429.374 4.922 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2136313805 BDCABIWDVBBQQL-ZWKOTPCHSA-N 427.383 4.968 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2cc(Cl)cc(Br)c2)C3)OC1(C)C 2194124294 KXLVMODUPBWQGT-ORAYPTAESA-N 440.574 4.801 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CC1CC1 2233309550 YOQLIEWTTKLUAV-MAUKXSAKSA-N 441.414 4.566 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 2235748161 XFNQONRQJLLGDG-JXFKEZNVSA-N 435.406 4.957 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC(F)F)sc2Cl)OC1(C)C 2243422298 BIVBSZDBHVHISQ-UHFFFAOYSA-N 441.736 4.608 30 10 IJEE CC(C)(C)OC(=O)NCCN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)c1ccccc1 2266991258 DIQLJJVDDHTNQX-UHFFFAOYSA-N 444.381 4.561 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2296218175 BKLZXJJETGLXSH-CMKODMSKSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)C#Cc2cccc(Br)c2)C1 2296221112 FRRBWUMMTQMQQP-JTSKRJEESA-N 432.358 4.797 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2296273532 PGFRFOGIIUZCCX-KNQAVFIVSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC(=O)C#Cc2ccc(Br)cc2)C12CCC2 2296276517 IUJAUQGQHBUFSR-QFBILLFUSA-N 432.358 4.843 30 10 IJEE COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1OC 2296938397 JKFDOINLEPFGLP-VWLOTQADSA-N 441.483 4.886 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 2305402884 JPDGQTAEMPIZIE-VWLOTQADSA-N 428.573 4.842 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2306612952 ORNAOFBZZYWXOE-JWQCQUIFSA-N 428.573 4.699 30 10 IJEE CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1SC(=Nc2cccc(Cl)c2Cl)NC1=O 2313541298 ABYNPXAYHTUOOK-ZDUSSCGKSA-N 445.331 4.767 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccccc1OC(=O)c1ccc3c(c1)OCO3)C2=O 2314527275 NFNJBLKISCLLAU-UHFFFAOYSA-N 430.412 4.649 30 10 IJEE COc1cc(C=NN=C2SC(=Cc3cccs3)C(=O)N2Cc2ccco2)ccc1O 2314818415 FNPDVYOJAHPYHT-UHFFFAOYSA-N 439.518 4.562 30 10 IJEE C[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN1C(=O)OC(C)(C)C 2317351395 HULWPMGTYOUDSY-FUHWJXTLSA-N 430.354 4.503 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 2321511729 OVURCWIHYVZJLL-UXHICEINSA-N 445.560 4.655 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(CCOc1ccccc1)CO2 2322038186 GXBALQGQOWERLA-UHFFFAOYSA-N 431.463 4.981 30 10 IJEE CCCOc1c(C=Nn2c(S)nnc2CCc2ccccc2Cl)cccc1OC 2322119849 OXNMTCOWHYAHCO-UHFFFAOYSA-N 430.961 4.685 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc5c(c4)OCO5)cc(C)c3C2=O)c1 2322775303 FWXDTHCMTYMPGA-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE COc1cccc(C=NNc2nnc(-c3ccccc3)c(O)n2)c1OCc1cccc(C)c1 2323286072 HQMNWZYSFWHBGF-UHFFFAOYSA-N 441.491 4.586 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1Br 2323466191 YYYMOJYROIUYKN-UHFFFAOYSA-N 430.342 4.813 30 10 IJEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)ccc2C1=O 2324305837 RBXUPIFSPIOYFG-HNNXBMFYSA-N 433.435 4.857 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2Cl)cc2c1C(=O)C(=Cc1ccccc1)O2 2325642723 PNZDAOUQQFIVFE-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3OC)c2C)C1=O 2325736175 FLQJBHSCPVEGCL-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2N=Cc2cccc(F)c2)cc(C)c1Cl 2326148900 WWNLJVUTMHSYRK-UHFFFAOYSA-N 448.951 4.623 30 10 IJEE CCCOc1ccccc1C=CC(=O)[C@H]1C[C@@H](NC(=O)CCCc2ccc(C)cc2)CCN1 2328263732 GYXGYYYSDPNNRU-LOSJGSFVSA-N 448.607 4.626 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)c1 2328610441 XDSGXNZXJPRLTD-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(F)c2)o1 2330835088 PLWFJBZMOIHOCE-UHFFFAOYSA-N 444.532 4.950 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1Cl 2331400235 YKGVMLZIRSDBNC-UHFFFAOYSA-N 434.009 4.652 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCCO)nnc2C(C)(C)C)cc1OC 2331405288 BWZMPJHUOLTPKI-UHFFFAOYSA-N 434.606 4.510 30 10 IJEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339602387 JNNTYHOLTLQEAE-DEWHONNTSA-N 443.397 4.608 30 10 IJEE Cc1ccc(C(=O)ON=C2C=CC(=NOC(=O)c3ccccc3Br)C=C2)cc1 3074209 HSHRHZCRGZYMAV-UHFFFAOYSA-N 439.265 4.609 30 10 IJEE CCCCSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 9856519 HRRYNAXRTYSGAG-KRWDZBQOSA-N 433.375 4.955 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(OC)cc2)Nc2cccc(C)c2C)c1C 32973392 HXPBVWRTCBHVON-UHFFFAOYSA-N 447.583 4.586 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(Cl)c2)Nc2ccc(F)cc2)c1C 32973415 UDQBASRNSSMDPE-UHFFFAOYSA-N 441.938 4.753 30 10 IJEE CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1cc(OC)c(OC)cc1OC)C2=O 37857906 HASGYEPKNZDRBL-YDZHTSKRSA-N 441.524 4.656 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 101486235 OVSAHXHJZHKWBY-LFIBNONCSA-N 430.869 4.792 30 10 IJEE COc1ccc(CC2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)cc1 109954483 BZGVEWZWXVMIPX-UHFFFAOYSA-N 430.504 4.834 30 10 IJEE CCc1cc(=O)[nH]c(N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)n1 169895467 LJMYYFODJSIZRZ-MYKKPKGFSA-N 447.322 4.673 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169963960 DJRKIDVXTTXDPJ-JOCHJYFZSA-N 446.409 4.935 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169971047 IWGUYWMEFAEEBJ-XMMPIXPASA-N 441.483 4.727 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1 169997602 OXFBKWHWLYNQPO-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccnc1 170005488 PFEFZZDQMNPZLS-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC(C)C)c1 170035257 QKNWPJYBMFEBPQ-QHCPKHFHSA-N 449.503 4.835 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)c1 170058699 HMMLAYFXYMSUJE-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2F)cc1 170071984 KGCVOYFKOFCYSU-QFIPXVFZSA-N 425.500 4.782 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170076064 SGFPWRDDBZWTJW-WAIKUNEKSA-N 442.471 4.671 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170114886 VVGSFCFLINNVCM-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 170163147 KLNWRTJRRJXVLQ-QFIPXVFZSA-N 430.529 4.800 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccn2)c1 170172561 HJGLLQWHKIQXRQ-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OCCC)cc1 170215359 NSBQCZDKIZFBPT-NRFANRHFSA-N 438.480 4.762 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1c[nH]c2ccccc12 170253867 WATZKOSUHQCHNJ-QHCPKHFHSA-N 448.519 4.525 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(O)c1 170321938 IQPQMPDCUFSXNT-QHCPKHFHSA-N 431.488 4.932 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(N(C)C)cc2)c1 170337408 XSGYBUCBULPGAK-QFIPXVFZSA-N 432.476 4.527 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1c[nH]c2ccccc12)c1cccs1 170383683 BPADQZBNDSEGRN-NRFANRHFSA-N 444.468 4.741 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(OCc2ccccc2C)cc1 170438691 JLQLFAMMHZNEKR-XMMPIXPASA-N 437.536 4.531 30 10 IJEE Cc1sc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)c(C#N)c1C 170578369 DPGSETZOOZSUFT-UHFFFAOYSA-N 440.528 4.917 30 10 IJEE COc1ccc(/C=N\N=C2/S/C(=C\c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 210530818 NSVAZYONSXKEMP-DOSRWIIRSA-N 447.516 4.803 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](C#N)c2ccccc2I)CC1 309750120 ZDPFPLHACNEHRN-HNNXBMFYSA-N 426.298 4.545 30 10 IJEE N#Cc1ccc(NC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(Cl)c1 426125374 DRBSEVUQQMQCSD-UHFFFAOYSA-N 444.244 4.633 30 10 IJEE O=C(NC1CC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 429066330 VYJDEYNWYQSRNQ-CYBMUJFWSA-N 432.311 4.605 30 10 IJEE N#CCCn1cc(CNc2cnn(-c3cccc(C(F)(F)F)c3)c2)c(-c2ccncc2)n1 433324764 CKJJDZHITBYDSQ-UHFFFAOYSA-N 437.429 4.675 30 10 IJEE CC(C)C[C@@](C)(C#N)NC(=O)c1cc(I)c(Cl)cc1Cl 486320549 UTEGKJBBTPOLEK-AWEZNQCLSA-N 425.097 4.656 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 508904974 XEXLZJSXBOTEJK-YJBOKZPZSA-N 445.976 4.600 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2nc(C)cs2)C1 549220364 WUHBAMJQPICLGS-KRWDZBQOSA-N 433.940 4.657 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 549637606 CPTDKMWJEVUEMP-GOSISDBHSA-N 448.036 4.541 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cc4c(s3)CCCCCC4)n2C[C@H]2CCOC2)CC1 555515496 OKUHOTARNBWQIW-GOSISDBHSA-N 439.629 4.832 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1Cc1ccccc1 558628046 BLURNFSWGHLKJO-UHFFFAOYSA-N 425.536 4.513 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 670201635 ASCXGKQWOUZDKC-QFIPXVFZSA-N 438.597 4.678 30 10 IJEE CSc1nc(-c2ccco2)nc(C)c1C(=O)OCc1cc(Cl)ccc1OCC#N 735341518 NGHSDVTVJQZMPZ-UHFFFAOYSA-N 429.885 4.680 30 10 IJEE Cn1cc([C@H](NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 773840984 VIWFMPFTBURKPT-SFAKSCPVSA-N 445.285 4.891 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 802562271 HVPSUGMNYHNOLZ-KRWDZBQOSA-N 443.592 4.861 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 806250300 VJYXFLCQRAGEHL-NRFANRHFSA-N 448.544 4.639 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccc(Cl)cc1 810472025 AXGSMSPGIUFEGQ-NRFANRHFSA-N 446.938 4.613 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCc2cccc(F)c2[C@H]1C 812187703 CUPJNRTYYDLYGX-GOSISDBHSA-N 449.530 4.543 30 10 IJEE O=C(C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 1083927176 HJWRJSQEZLGLPT-NRFANRHFSA-N 433.508 4.986 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 1125612255 KJXQRVVSESRVNK-UHFFFAOYSA-N 442.556 4.928 30 10 IJEE C=CCC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCCCC1 1125834316 FFMCORKSHJFERD-UHFFFAOYSA-N 425.451 4.789 30 10 IJEE Cc1cc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c2cnn(C)c2n1 1130331613 CXWIEUXJDBFOPF-UHFFFAOYSA-N 434.315 4.818 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 1130804439 SWDAOIHNLKVLIE-RHSMWYFYSA-N 449.473 4.872 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3CC)n[nH]2)c1C 1139915841 ORPYWEQHEFFMDI-UHFFFAOYSA-N 449.946 4.730 30 10 IJEE C[C@](O)(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 1142543866 GQXJMLHNSPIHNG-OAQYLSRUSA-N 427.382 4.611 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCN(CCc2ccccc2)C1 1142766750 HSPWXDYGZVPJBE-DENIHFKCSA-N 443.513 4.901 30 10 IJEE C=CCn1c(SC[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)nnc1-c1cccnc1 1165354107 QTBJRYGGMDAKKJ-FUHWJXTLSA-N 432.471 4.800 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1166454914 WBHYXTYATSYOCQ-JOCHJYFZSA-N 440.584 4.588 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 1191025063 AHCVXDFEBXMLIR-QFIPXVFZSA-N 440.952 4.757 30 10 IJEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@@H]1CCC[C@@H]1C(C)(C)C 1195277335 FHZRNELKNPERQQ-AVCGJXAMSA-N 440.632 4.503 30 10 IJEE C#CCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCCc2ccccc21 1198104625 QBDJMSCVWIQFDS-HSZRJFAPSA-N 436.602 4.726 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)cc1 1199058602 FHEGLLJBZUVZLQ-JOCHJYFZSA-N 425.479 4.978 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)CC1 1200638651 HCLYJRQFALHCDC-UHFFFAOYSA-N 432.318 4.571 30 10 IJEE O[C@@](CNCc1ccc(F)c2cccnc12)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1204127557 GLEJYPOXLBJNHP-SFHVURJKSA-N 432.339 4.932 30 10 IJEE Cc1ncc(-c2ccccc2)cc1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1216426249 HLLGEDOTYIZVLX-UHFFFAOYSA-N 425.536 4.715 30 10 IJEE CC(C)N1C(=O)C[C@@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 1264420579 FDWPRRTWABZEFJ-OHOGDBNVSA-N 427.907 4.526 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(-c3csc(C)n3)cc2)CCCN1C(=O)OC(C)(C)C 1264852718 DJKCIUPAWFIFHR-XMMPIXPASA-N 439.581 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1286278382 NOMNJNUUODBMKL-OSAZLGQLSA-N 430.980 4.877 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1286354622 QKHQJUKVZGNZDB-HTAPYJJXSA-N 435.597 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC=C(C)C1 1286560703 HXFSSZUZACLHRT-PXNSSMCTSA-N 443.389 4.845 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccccc1F 1286584888 VOYRMASRQLJSFE-AWEZNQCLSA-N 432.341 4.959 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(F)F)C1 1286600756 HDLLMMVUPHYKMG-AWEZNQCLSA-N 441.320 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCOC1 1286666718 DRYUGFBIEXLBIH-CQSZACIVSA-N 439.423 4.844 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286682943 YJAXIDYKVVZFSH-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1286763347 IBMFWYCWIXORJO-ISKFKSNPSA-N 443.551 4.626 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1Cc1occc1C 1286765979 MFZFFXVLLVJIMQ-UHFFFAOYSA-N 438.478 4.925 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1286772341 BLKHUYOGTHHBIH-UHFFFAOYSA-N 449.386 4.577 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2=CCCCC2)C1 1286800349 JWWYYRUNEFDKAX-AZUAARDMSA-N 426.536 4.839 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)s1 1289043368 GHDZXUFZNPCJEM-UHFFFAOYSA-N 436.002 4.850 30 10 IJEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1cccs1 1292291756 DUXMNCAVOHNXIM-KRWDZBQOSA-N 439.585 4.539 30 10 IJEE CO[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1)C1CC1 1299654107 CZUHAZMHLZGQJQ-IBGZPJMESA-N 434.371 4.807 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCOC[C@@H]1C 1300785588 ACMCPPDIWHFSMD-YRWQMTPXSA-N 436.600 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)C(C)C 1300789004 ULSJKXGFXKGETC-RUZDIDTESA-N 440.588 4.645 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCOCCC(C)C 1300789331 HSWVLXVJCHSOEQ-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1300876028 RCPPPVJUVRSWLE-PANQXIRQSA-N 427.420 4.793 30 10 IJEE C#CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1300993911 BTLMUHOLKRCHOI-NRFANRHFSA-N 444.984 4.746 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN(C)CCC)C1 1301017159 HBCRDCOUFCZRAC-SFTDATJTSA-N 446.039 4.956 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1301135771 RMSMKZGRYDLJIH-UYAOXDASSA-N 442.629 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1301158481 HBMQQBUWZYUBKT-VWLOTQADSA-N 442.579 4.623 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)[C@H]1C 1301246432 UMRYOHQYYBGWRQ-HZPDHXFCSA-N 437.009 4.530 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCCC(F)(F)F 1301340735 DANNRHUZTWUAPN-UHFFFAOYSA-N 440.473 4.671 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1301956250 HGQIHYCYGAWLHH-GBESFXJTSA-N 429.012 4.562 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Br)c(F)cc1F 1308998746 HVPYVNSVXIHECC-UHFFFAOYSA-N 442.734 4.819 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nc3c(s2)C[C@H](C(C)C)CC3)cc(OC)c1OC 1311295641 LUABCSQOLAKETE-MRXNPFEDSA-N 429.586 4.971 30 10 IJEE CC(C)(C(=O)NCc1cccc(OCC#N)c1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 1323549131 FRYCJDVALNJUTR-VWLOTQADSA-N 444.531 4.544 30 10 IJEE CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1358153082 DAVVXYPGVUSUFE-INIZCTEOSA-N 449.860 4.632 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1sc(C)nc1C 1358875912 YRWOOZGWFRFVFS-INIZCTEOSA-N 444.608 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@@H]1CCCCO1 1358896113 XLOBFHHBQZHQFF-FPOVZHCZSA-N 445.007 4.669 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1359001883 GMXADCYSSPVZCK-GXTWGEPZSA-N 444.299 4.789 30 10 IJEE C#CCSCCn1c(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)nnc1C(C)(C)C 1359061636 HUDXGBDZIUQWBI-SFTDATJTSA-N 426.630 4.546 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC1CC1 1359095862 SWHLNNBNNPGZSQ-NZQKXSOJSA-N 440.588 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC(C#N)CC1 1359146795 KCQRBPJIDCTTNU-UHFFFAOYSA-N 429.952 4.625 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1359176679 KBNHPMVVXZJTHI-DEOSSOPVSA-N 432.616 4.769 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359189425 KRPLNQBNVKHAPM-SFTDATJTSA-N 445.007 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359190237 JHSOTNPFNQHOBZ-GOSISDBHSA-N 426.590 4.608 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCCC)CC1)c1ccccc1 1359193485 FDIUKJBPULVKQC-UPVQGACJSA-N 448.615 4.824 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1359211959 UZGMXSSZSGNTJD-SFHVURJKSA-N 428.577 4.712 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCn2ccnc21 1359254471 SJJGKFZNFRCDSK-FPOVZHCZSA-N 434.588 4.767 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCC1 1359257374 IUPNDXHDAZWYGI-JYFHCDHNSA-N 436.600 4.868 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cc(C)oc1C 1359262899 IVOVQYRIEHGEJF-XMMPIXPASA-N 449.580 4.712 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@]1(C)OCCc2sccc21 1359273383 YIZSSDQWBRXCPH-DEOSSOPVSA-N 438.572 4.736 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc2n1 1439618745 ZZGYBMAJBQZXFE-IAGOWNOFSA-N 433.512 4.865 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 1449431368 YVCKCGHNCGAMCA-UETJRYKRSA-N 428.532 4.787 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1 1458258499 ZSGSAAXGYBAMON-GXTWGEPZSA-N 426.330 4.589 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N 1460781919 TZKVMSBZSPULNR-UHFFFAOYSA-N 426.270 4.830 30 10 IJEE C#C[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)C(C)(C)C 1460799671 CTYGAVUPTXVFBR-SFHVURJKSA-N 426.442 4.731 30 10 IJEE OC[C@@H](CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)Cc1ccc(F)cc1 1461097819 AIZWJLCITNWXSN-QAPCUYQASA-N 439.371 4.639 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nc(Cl)c(C#N)s1 1466806493 WGLALJXIYUYKQZ-UHFFFAOYSA-N 429.702 4.790 30 10 IJEE C[C@H]1CN(c2cc(F)cc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)C[C@@H](C)O1 1466993066 DQTFLFDVCGDWKU-LPQSXTOPSA-N 436.531 4.743 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3cccc(F)c3)C2=O)nc2cc(Cl)ccc2c1=O 1472911435 JABISFNCJAOIHF-LJQANCHMSA-N 443.931 4.663 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1cccc(OC)c1 1472999470 SEQFCMSFKOCSSG-QZTJIDSGSA-N 448.592 4.988 30 10 IJEE CC[C@@H]1COC(C)(C)CN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1473615484 CKBYZQTXWYOMEN-IAGOWNOFSA-N 431.646 4.989 30 10 IJEE C=CCOc1c(Br)cc(CNCC(F)(F)C2(O)CCCCC2)cc1OCC 1474294724 SGXCCAJMCXMLQM-UHFFFAOYSA-N 448.348 4.833 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCc2ccnc(N(C)C)c2C1)c1ccc(C(F)(F)F)cc1 1478272517 NBYVGHTXHNGLAH-HXUWFJFHSA-N 432.490 4.942 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1478806659 LXJXHXHCPXWIMS-NBYDKTAJSA-N 427.589 4.650 30 10 IJEE CCCC(O)(CCC)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@](C)(C#N)C1 1500166802 DBSCIHOCOUUFHQ-VWLOTQADSA-N 448.615 4.742 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1502034909 HGJLGYWCNIPCML-UHFFFAOYSA-N 439.495 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OCCC)nc1 1507518012 SMPHYZRAFNFUEO-FPOVZHCZSA-N 447.583 4.725 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507570570 QXMIHMYXINPYBS-DEOSSOPVSA-N 449.643 4.590 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507703361 VLOLLMDLSMGNBA-MUGJNUQGSA-N 442.991 4.594 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccco1 1507745712 FGDGPYXTVRVUIA-FXAWDEMLSA-N 440.544 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCOCCC=C 1507764354 LNYKZQHRDFJFTD-WZONZLPQSA-N 428.964 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1 1507816189 DNOUAOXMTHKUAI-NRFANRHFSA-N 439.604 4.843 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC=CCO2)CC1 1507896829 LVKMZTRFQDQKOQ-UTKZUKDTSA-N 428.964 4.819 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1507897975 UJDXQVWXRCCXOM-FUHWJXTLSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1507914158 FTMJRQUIXKDLDR-OALUTQOASA-N 448.615 4.760 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507926874 XKJMCCMCNHIJRY-FQEVSTJZSA-N 446.599 4.543 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1)c1ccccc1 1507930743 ZQBSAVNWOKUZGS-FCHUYYIVSA-N 433.604 4.660 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](CC)C1 1507947315 BNTQURBMHFWRPF-OALUTQOASA-N 449.665 4.691 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(Cn2cccn2)CC1 1507956744 RCMYKCWSQOLDSH-UHFFFAOYSA-N 436.629 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCN1CC=CCC1 1508008716 QMYHQCQHEDGIMJ-UHFFFAOYSA-N 437.588 4.524 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)(C)C 1519835880 DDVOARHTRSVHQY-QFBILLFUSA-N 427.618 4.598 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC2(c3ccc(C)cc3C)CC2)nnc1-c1ccco1 1523679699 YFARGGAXNVYPOV-UHFFFAOYSA-N 436.581 4.671 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(Br)cc2OC)cc1OC 1529111691 MZYIRACSMTZRLN-USYSOWRXSA-N 446.341 4.922 30 10 IJEE C[C@H](NC(=O)CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 1529654384 FUJNSKCAAFUBEA-SFHVURJKSA-N 445.494 4.872 30 10 IJEE C=CCCCCCN(C)C(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1532191041 AIHHXYFUEASHCE-LJQANCHMSA-N 432.561 4.575 30 10 IJEE C#CC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccccc1 1534188696 ZXHGBZCPZSHIAG-SANMLTNESA-N 435.527 4.971 30 10 IJEE C/C(=C\C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)c1ccccc1OC(F)F 1535026550 MPSNZJOFLMMIFA-VOTSOKGWSA-N 429.317 4.836 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(F)c(Br)c(F)c1 1535452162 IWIROERVWDSIBD-AWEZNQCLSA-N 446.292 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCC(C)(C)C1 1538984352 HDPVSUJYJQGURY-MOPGFXCFSA-N 439.673 4.711 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC)CCCC1 1539035284 OJWIFCHCCLUIHY-MOPGFXCFSA-N 429.609 4.778 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@](C)(CC)O1 1539153354 AWBGUGPESYNFTB-DVECYGJZSA-N 435.597 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1539336741 DYGYSWSHDBVWEN-MSOLQXFVSA-N 448.464 4.753 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@@](C)(CC)O1 1539350953 GUTMTSBAFVIGQW-IFXJQAMLSA-N 437.407 4.576 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1539721690 DGHPPMZEWULUTQ-BJLQDIEVSA-N 445.633 4.542 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539829012 RYRVIROQXJEWRB-NSHGMRRFSA-N 430.980 4.779 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539875438 ROJDPAKXIXQYCZ-BVZFJXPGSA-N 434.588 4.535 30 10 IJEE CC(C)(C)c1cc(NC(=O)COc2ccc(F)c(Cl)c2)n(-c2ccc(C#N)cc2)n1 1539917233 DGRMBNLYAKHYLV-UHFFFAOYSA-N 426.879 4.851 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1539939502 HLEPORGBNQBTPJ-UXHICEINSA-N 437.975 4.827 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)CCC(F)(F)F 1540027870 DRPMYWUICUOCJR-UHFFFAOYSA-N 447.299 4.689 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccccn1 1540048361 UQVKTCVDGJWGSY-GOSISDBHSA-N 425.964 4.948 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCSCC(F)(F)F 1540122490 VJYHQPFDRVSBBO-UHFFFAOYSA-N 446.502 4.633 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C1CC(C(C)(C)C)C1 1540138000 YAMZBBWVRVRLFH-AFMYVXGZSA-N 425.552 4.558 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1OC 1540140158 KNNNWEIYKCQXAU-IRLDBZIGSA-N 433.581 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CSCCS1 1540177952 WGUVEIPQQYHOLW-LJQANCHMSA-N 432.684 4.906 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C 1544280118 RSHLSOQMEHZPJE-BTYIYWSLSA-N 435.442 4.881 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(Br)c(C)ccc3[nH]2)cc(OC)c1OC 1544363990 ZPIPNEDAIXGYLX-UHFFFAOYSA-N 443.341 4.915 30 10 IJEE C=CCCC[C@@H](NC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 1559028988 MARNLBCAFIARLI-JOCHJYFZSA-N 441.535 4.668 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](O)c1c(Cl)cccc1Cl 1560486687 NMQADLBFKJSBLK-INIZCTEOSA-N 429.141 4.591 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1561744913 CQUUXAFQEAQPNV-CJNGLKHVSA-N 441.416 4.986 30 10 IJEE C=C(C)[C@H](NC(=O)N(C[C@@H](O)COc1cccc(C)c1)C(C)C)c1ccc(F)c(F)c1 1564596240 ATCRFQJKARBXKZ-XXBNENTESA-N 432.511 4.750 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 1564998718 AUSHYCQSYGSJPP-GOTSBHOMSA-N 449.348 4.823 30 10 IJEE C=CCc1cc(C(=O)OCc2cc(Br)cnc2Cl)cc(OC)c1OC 1583755932 DPXJGQAVXFHUEI-UHFFFAOYSA-N 426.694 4.600 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1585624396 FVMYXNCRLMNRIX-RKVPGOIHSA-N 439.478 4.592 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc3cc(Br)cnc3n2C)C(F)(F)F)cc1 1587315371 LZGPIPOFOUWDBR-INIZCTEOSA-N 437.215 4.778 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC2(CCC2)C1 1587823446 QUJIKUAKUFLGMT-UHFFFAOYSA-N 449.780 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C(F)(F)F)cs1 1589224102 VBVIIXGCNSNPNB-HXUWFJFHSA-N 449.477 4.524 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H](C)CCC 1589421748 WZVGLGWASHMIGF-ZDUSSCGKSA-N 427.337 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccc(OC)cc1 1589528897 JHUXYDBRDKJQAM-PUHATCMVSA-N 440.588 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCC1 1589658086 RTXXMBDCUDXNCK-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(F)(F)F)c2)CC1 1594248103 WMJDVSVCNGRSNU-UHFFFAOYSA-N 427.474 4.733 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1594456052 XMOZWQPPQHAVDF-QUCCMNQESA-N 427.637 4.527 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1594553416 ZWTJZKFUWIDILF-AQYVVDRMSA-N 439.579 4.955 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1594615549 JQFPBHLFXYAPJZ-GOSISDBHSA-N 446.542 4.854 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1595062445 QZRJBBJHCRGANR-RXVVDRJESA-N 443.636 4.811 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1595233969 BEUXNVKGVABLBO-LADGPHEKSA-N 429.568 4.556 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1595260379 IQSOXDRZJVZGDX-VWLOTQADSA-N 440.588 4.812 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C)s1 1595399037 QFGCFVPMPVQPDK-QGZVFWFLSA-N 431.606 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)Cc2cccs2)C1 1595699892 ISMCOBZBIWZYCJ-GHTZIAJQSA-N 438.597 4.675 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)C(=O)OCC 1596777408 AQVCZPPVKPVLHW-FQEVSTJZSA-N 427.884 4.816 30 10 IJEE CCc1cnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CC#N)CC2)s1 1613846783 FISNQUWQJOFYID-UHFFFAOYSA-N 444.967 4.935 30 10 IJEE COc1ccccc1/C=C1/S/C(=N/N=C/c2ccccc2O)N(Cc2ccco2)C1=O 1615301676 VNSKGZIZNPEEIJ-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE C=CCN1CCC(NC(=O)c2sc(-c3ccc(C)cc3Br)nc2C)CC1 1616331795 YMXCJJGVVCRRGL-UHFFFAOYSA-N 434.403 4.570 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 1616734632 HUIIISRPAOFUMR-NRFANRHFSA-N 448.346 4.917 30 10 IJEE C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1616806579 ATEBEIWROGNJGP-QGZVFWFLSA-N 432.911 4.750 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2I)cc1OC 1617753353 WXOUALVESODDSF-PKNBQFBNSA-N 449.288 4.825 30 10 IJEE C=CCCC[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 1620542613 FGWSOMKQBUIPHP-LJQANCHMSA-N 443.473 4.912 30 10 IJEE O=S(=O)(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)c(C(F)(F)F)c1 1622034074 GGBLWYGTKNJTLT-UHFFFAOYSA-N 441.368 4.873 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(F)c1I)c1ccc(Cl)cc1 1623401363 CESOIUOXXVETSO-CYBMUJFWSA-N 428.632 4.580 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 1623649076 JEFRGFGSVJWAEK-WMCNPTGISA-N 439.440 4.653 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4cccc(F)c4)nc3)n[nH]2)c1C 1624754167 RJDPEEDDIOHNCB-UHFFFAOYSA-N 432.459 4.655 30 10 IJEE CCCc1c(NC(=O)c2ncsc2Nc2cccnc2)cnn1-c1cccc(C#N)c1 1625514333 DJQCLEPIVGXMAH-UHFFFAOYSA-N 429.509 4.544 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(C(=O)NCCCC)cc1 1625646656 AEEQSZOVVUIAHW-UHFFFAOYSA-N 434.458 4.730 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)c1ccc(Br)cc1 1636562541 MUXTXQFAIJJROG-OALUTQOASA-N 443.341 4.687 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC)cc1N)c1ccc(C(F)(F)F)cc1 1636927022 QGROCNRBUQWIKG-LJQANCHMSA-N 440.487 4.519 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 1638491526 BDVKVYQSRJLXDA-IBGZPJMESA-N 447.645 4.978 30 10 IJEE C#CCN1CCC[C@H]1C(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1638815867 LZPPMELSHXYMLW-IBGZPJMESA-N 429.383 4.778 30 10 IJEE O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1c(O)cccc1F 1641323200 AZHANGKSXLRWRG-UHFFFAOYSA-N 427.272 4.666 30 10 IJEE C=CC[C@H]1CCN1C(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1648409294 FGZYLKZHJTZVFJ-INIZCTEOSA-N 439.364 4.514 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)cnc2n1 1651235295 IEBCAFWPARSNCY-OAHLLOKOSA-N 449.349 4.580 30 10 IJEE CC(C)(C)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1652883022 CPTMYGHIBAVTOK-BWAGFHJFSA-N 440.632 4.551 30 10 IJEE C[C@H]1Cc2cc(S(=O)(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)ccc2O1 1654196889 BJCOTDDOKGICLY-INIZCTEOSA-N 438.936 4.931 30 10 IJEE C#CCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1657338706 BUJLGKFBSZCEMG-SFHVURJKSA-N 435.705 4.970 30 10 IJEE C[C@](NC(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1)(c1ccc(F)cc1)C(F)(F)F 1665030506 HELYEYLQZYEQKV-RDJZCZTQSA-N 438.343 4.655 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)CC1 1668488613 TUHYFMQZFSXZIO-DEOSSOPVSA-N 447.067 4.622 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCCc2ccc(I)cc2)c1 1668760607 LZUKZEBZCVVFSJ-UHFFFAOYSA-N 436.293 4.610 30 10 IJEE C=CCOCCNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1669017531 HKKBJMCLXDHJRS-LBPRGKRZSA-N 438.290 4.829 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1)c1ccc(Cl)cc1 1669984514 SCZUOIGVYFBSTK-KRWDZBQOSA-N 439.924 4.675 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(F)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1673107343 LACAQDWBUVEBCN-OAHLLOKOSA-N 437.943 4.584 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1CC1(O)CCCCC1)c1ccc(Br)cc1 1674030292 CLGUXZSLECLJFL-VQTJNVASSA-N 433.390 4.773 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnc2ccccc2c1Br)C(C)C 1674257292 FJEWNWKDEXVPBI-IBGZPJMESA-N 431.378 4.817 30 10 IJEE C#C[C@@H](CCC)NC(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1676571202 DQIKNTGLWGTKQU-FPOVZHCZSA-N 433.552 4.808 30 10 IJEE C#CCN(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCCc2ccccc21 1682254288 GBALGWHYQCGKFC-QETWGEEDSA-N 433.518 4.514 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1683051781 SLLWJVSDFNRPLT-FDFHNCONSA-N 427.589 4.810 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CC(C)(C)OC1(C)C 1684345079 KDIGOBKYQPPFAB-OAHLLOKOSA-N 427.358 4.880 30 10 IJEE C=CCC[C@H](NC(=O)NCCNC(=O)OCc1ccccc1)c1ccc(C(F)(F)F)cc1 1685794787 ZZZXYVZNJRWBRI-FQEVSTJZSA-N 449.473 4.938 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CCC)CC1 1689835761 RZZUNXOLRISOMT-HNNXBMFYSA-N 431.378 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CCC(OC)CC1 1689840001 QQHUWIJGWWYBEM-HPUBIQBYSA-N 449.368 4.510 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](CC)C1 1689892212 APUVZCPBUBXXAF-HXUWFJFHSA-N 443.636 4.823 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1690166195 XWICKLGLZWRDNR-TZIWHRDSSA-N 449.624 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1CCN(CCC)CC1 1690212412 LDGZPUWWCNZOBJ-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1690279569 QEHRLMJRYPTVCO-UHFFFAOYSA-N 435.616 4.703 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@@H]2CCOC2)CC1 1690398907 JHXADZKRUBPCTL-IEBWSBKVSA-N 430.980 4.901 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1690406636 MXXYHGMGAWEDNM-QFIPXVFZSA-N 436.629 4.887 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1690412183 GYCLJAXLPUYOSJ-IBGZPJMESA-N 437.632 4.846 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1690422719 XWGCOPOIPPIALX-SFHVURJKSA-N 427.574 4.792 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1690430029 AYAXEUBKMCVEKW-UHFFFAOYSA-N 435.616 4.599 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCO[C@@H](C)C1 1690533673 RITAQOZZKNDWGP-JKSUJKDBSA-N 439.387 4.991 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1Cl)N(C)C)C1CC1 1690543581 JKKBZZLQHITFPZ-RTWAWAEBSA-N 429.996 4.631 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1N(C)CCCC1(C)C 1690571553 AMFCCMKAPWOFSV-YADHBBJMSA-N 441.595 4.582 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)N1CCc2ccccc2C1 1690594678 CQWSLFKSURADNG-ZEQRLZLVSA-N 435.616 4.535 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1690736666 LQNFCMJYNKKGCK-RTWAWAEBSA-N 437.613 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1705502547 XHYIFJSZSNIDBQ-NQIIRXRSSA-N 442.991 4.850 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCc2cccnc21 1705505847 OQAOQSSLUQJTJA-QUCCMNQESA-N 447.608 4.552 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)Cc1cc(Br)cs1 1705518740 QOBIHEVPBBCPOI-UHFFFAOYSA-N 444.402 4.528 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1705524923 VDHVCKHILCTVBB-PCCBWWKXSA-N 440.563 4.614 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCC(F)(F)F 1705576936 ADGDELSHQMAONY-UHFFFAOYSA-N 442.441 4.532 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1705798579 WHFKGUWPHJZGPS-WHSBFGAESA-N 438.616 4.915 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC(F)F 1705812610 FZEIWUALSGPJCD-UHFFFAOYSA-N 429.309 4.774 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1cc(Cl)ccc1OC(F)F 1705874498 OXHJNMACKKQZRA-OAHLLOKOSA-N 438.906 4.654 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1705882076 KGXGCECCEHFFET-YTQUADARSA-N 445.405 4.783 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2sccc2C)C1 1705914395 ANBUWRMHDSORNE-QZTJIDSGSA-N 442.560 4.757 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cccs2)C1 1708074153 BGRNVZHRUBNBSB-RTBURBONSA-N 434.613 4.635 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCSC2)cc1 1710533734 DUNBHBRHIHWHBF-OTWHNJEPSA-N 443.617 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCOC1CCCCC1 1722276637 JGCQEWWBFQXEER-MOPGFXCFSA-N 428.552 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC(C)C)CC1 1722304129 WHKQDDIWFHSEHO-OALUTQOASA-N 429.609 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC(C)(C)SC 1722469704 JVRBFFTUWQAHJB-GOSISDBHSA-N 439.448 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCc1cnn(C)c1 1722469780 LLIZIMQOHRCCQD-AREMUKBSSA-N 430.600 4.601 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C2CCOCC2)C1 1722584933 LDDQEIWLHLHEQZ-FQEVSTJZSA-N 439.560 4.709 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1722594813 RCPJGKZEAZLHBY-MOPGFXCFSA-N 442.489 4.874 30 10 IJEE C=CCCCCn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722609873 HREJKWJDKCDLEC-SQJMNOBHSA-N 442.579 4.808 30 10 IJEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1722613189 AIAQVVWCACANAU-QGZVFWFLSA-N 425.606 4.609 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1722620630 SRRRZUURXZVUGL-OAHLLOKOSA-N 445.539 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCN1CC 1722634988 LCTCENRYNNWJTQ-GOSISDBHSA-N 432.410 4.513 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)CCS1 1727339375 DJRXYTOCBMSTLQ-UHFFFAOYSA-N 449.628 4.593 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@@H]2C)c1 1730029198 CQHUVXQSSCDVNB-OWCLPIDISA-N 446.393 4.748 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1CCC(F)(F)CC1 1740540672 XWTHGRSPKUEGBU-CQSZACIVSA-N 437.332 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740542096 NZWLWSTZNIZYGL-QQMNAOGKSA-N 431.987 4.706 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(CC)CC1 1740680009 ONJFBUWNJWWUOP-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1740827658 FPCSQNCSVACMFI-HSZRJFAPSA-N 449.599 4.998 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2nccs2)CC1 1740877363 XHYDACHPTAAZAK-UHFFFAOYSA-N 429.540 4.954 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1Cc1ccnc(SC)c1 1740917896 AQYRIRIIVNLDQM-UHFFFAOYSA-N 428.565 4.698 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cc1 1741124948 HLZMZTJBXPBZBI-GFCCVEGCSA-N 434.338 4.552 30 10 IJEE Cc1nc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)sc1C 1742045983 HOADPKUTAQELGJ-QFIPXVFZSA-N 441.004 4.774 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1nccs1 1748641403 GOVZLIPOPQDQLI-JYJNAYRXSA-N 429.977 4.790 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1748780525 ANHQNTXYIKBRJI-FQEVSTJZSA-N 444.526 4.637 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCN(C(C)C)C(C)C 1748940266 GXMIXXSJUDBVDL-UHFFFAOYSA-N 427.612 4.863 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)C(C)(C)C1 1749046772 GBLWQNRWPQBBQI-FQEVSTJZSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC(F)(F)F)cc1 1749058255 DJKCAXANDXGVTN-OAQYLSRUSA-N 430.430 4.786 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1749072154 HGPFRLVBYMJEJI-QSEAXJEQSA-N 433.644 4.566 30 10 IJEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1cccc(C)c1 1749085672 CQAHNYKCRRLQRL-MJGOQNOKSA-N 449.393 4.561 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1NC(=O)CC1(C)C 1749384094 QKYFGUBXBCXNMP-JOCHJYFZSA-N 446.599 4.591 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(CC)CCCC2)C1 1749695593 FPOHDYRXFILYHE-FQEVSTJZSA-N 440.588 4.714 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOC(C)(C)C1 1749760097 BVCJKMITAVEUJU-UHFFFAOYSA-N 444.645 4.823 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)c1ccccn1 1751097040 CHQQYZCQTHDVLS-KRWDZBQOSA-N 438.963 4.622 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1nc(C(C)C)cs1 1760216524 QVZXCMGINQIESY-UHFFFAOYSA-N 428.565 4.518 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCOC)CC1CC1 1760302562 IIXDJEYZRKPXCM-UHFFFAOYSA-N 443.748 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1 1760408950 KBHCBHVTNDMXKM-UHFFFAOYSA-N 447.612 4.592 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C)CCCC1 1760419324 OOXHQBKORGYKTD-UHFFFAOYSA-N 448.615 4.955 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1760439423 GGTAMVFVFOGSQY-UHFFFAOYSA-N 425.596 4.677 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(=C)Br 1760458474 IBCPQKPELGMJJV-UHFFFAOYSA-N 429.318 4.648 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1760502624 GSJBWAYGHQTLGE-IYARVYRRSA-N 425.964 4.695 30 10 IJEE Cc1cc(C)n(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)n1 1762470186 AVUFRWOGTZIUAV-UGKGYDQZSA-N 449.603 4.677 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1772555025 RVDKZJDVGCYGSJ-WMZOPIPTSA-N 432.515 4.764 30 10 IJEE CCCCOc1ccc(/C=C2/SC(=Nc3nnc(C)s3)N(CC)C2=O)cc1OC 1772740187 ZCNOLWWQZKMADX-DBOKLQOQSA-N 432.571 4.658 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2O[C@@H](CC)C(C)=O)SC1=Nc1cccc(O)c1 1772762849 IMPDAKYQJWXKCS-UNQCLYRJSA-N 436.533 4.929 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1ccc(Br)cc1F 1860731430 PPTGSGAJHLBPSG-QHHAFSJGSA-N 445.057 4.711 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC)cc1OCC 1862454348 VVJQDWLASWKAIC-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2C(=O)O)cc1 1862477308 KOSAQGKERFAQIY-HSZRJFAPSA-N 441.483 4.780 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1O 1862481212 ZMFPZEBTWDKQHH-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862498704 ODZCEJGITBEGON-ORAYPTAESA-N 434.319 4.569 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862533017 JMVKOCLBJKUXGL-XMMPIXPASA-N 443.499 4.612 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862561785 TYQQWPQGMPAGOY-QFIPXVFZSA-N 436.552 4.570 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Br)c1 1862566354 UHCOREPCSMKTRZ-IBGZPJMESA-N 443.341 4.800 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC 1862580130 YGZFSSPDYBCOJP-IBGZPJMESA-N 448.302 4.751 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1C(=O)O 1862651221 NWLOSCJLQLEZNI-QFIPXVFZSA-N 429.472 4.916 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1O 1862677257 BTJAFABTQMZSLE-WNSKOXEYSA-N 447.462 4.879 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2C)cc1 1862687633 NJYORZLJHAQNRK-JOCHJYFZSA-N 433.529 4.886 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C(=O)O 1862726211 AOYRZPJXUYGCOP-QFIPXVFZSA-N 427.456 4.650 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863260793 HMWVQXMCGJRTFV-UHFFFAOYSA-N 435.527 4.918 30 10 IJEE C[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867117090 LUJAGOBVRHFENB-JXFKEZNVSA-N 433.458 4.502 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CSc1nccn1C 1870265969 VWIMVELOOCSJRO-UHFFFAOYSA-N 449.617 4.567 30 10 IJEE CCCCCCCOc1cn(CCC)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870409432 RWJBKBOHVUDBBM-UHFFFAOYSA-N 439.644 4.925 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)c2ccccc21 1871371008 MAXTWKRNZRBWHD-FMCGGJTJSA-N 440.411 4.922 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871386936 AAWPYLKHCHGCNK-KSEXSDGBSA-N 430.412 4.649 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)c1 1871424578 OCIFQJDQHKQIOH-PDESAOGPSA-N 429.472 4.568 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(Cl)cc2F)ccc2c1O/C(=C\c1ccncc1)C2=O 1871440641 ZMRFYQUJXCQGFN-JMIUGGIZSA-N 438.842 4.816 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)NCc4ccccc4Cl)c3C)C2=O)o1 1871445774 MLOUIKDVCBYNKI-NHDPSOOVSA-N 437.879 4.861 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 1871453725 OKDJABIXCZQENW-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871967170 XSWRQVKNKWXQRA-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872384879 PUMBXIRIMWQRFL-KKSFZXQISA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872516666 WYXFVFWLCRMQIM-NRFANRHFSA-N 434.989 4.941 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 1872769986 FOBSGAVBERNNAP-FQEVSTJZSA-N 443.528 4.861 30 10 IJEE CCN(CC)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)c(C)c1 1873527462 AFXKHKBYWBTXTO-UHFFFAOYSA-N 432.593 4.990 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NC[C@@H]3CCCO3)ncnc21 1873612457 SDQGNDUYLMJIAR-INIZCTEOSA-N 446.338 4.767 30 10 IJEE COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)cc1OCc1ccc(Cl)c(Cl)c1 1873792566 KTQPGCGHRWTQKG-FLUNURKVSA-N 443.294 4.693 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874266531 BKSPVZJKLZTDBB-FOKLQQMPSA-N 444.944 4.775 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874279284 CXPDWIDLLKZXHP-BUVRLJJBSA-N 442.972 4.872 30 10 IJEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 1874303107 IHPUKLLOVPQRLN-YDZHTSKRSA-N 446.960 4.629 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)c1 1874308207 LMEXCDIIEVPGHV-JVWAILMASA-N 447.539 4.781 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)c1 1874309547 BHWACJNXLTVGGL-JVWAILMASA-N 447.539 4.781 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)c1 1874310117 FMULESMKBQAJRF-CVKSISIWSA-N 435.528 4.714 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccccc1F 1874400874 BNKIULXSFDMCJH-GDQCRLHRSA-N 440.544 4.743 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874451293 WIEWMNXPTSHCDZ-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C(C)(C)C)cc1OC 1874485061 BWZMPJHUOLTPKI-XQNSMLJCSA-N 434.606 4.510 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1c[nH]c2ccccc12 1874514830 IXHPYFAVWHYFGJ-BRJLIKDPSA-N 443.536 4.706 30 10 IJEE Oc1nc(CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)nc2ccccc12 1874520364 FQMNWJLIPWNSJC-FOKLQQMPSA-N 436.928 4.632 30 10 IJEE OCCCSc1nnc(C2CC2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874520452 NJSJLLRAEOUWCT-ZVHZXABRSA-N 442.972 4.745 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])o1 1874618694 OJWBJPBQLSFWRD-FPYGCLRLSA-N 439.395 4.897 30 10 IJEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)ccc1F 1874618700 OREAHGXRGVBMRZ-YRNVUSSQSA-N 440.471 4.766 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 1874623372 ZQHBPTXDHRYYSQ-WYMLVPIESA-N 432.476 4.891 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OCC 1874633470 DLEMQKYIXSSBRH-VQHVLOKHSA-N 445.943 4.857 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(OC)ccc3OC)cc2)c1 1875100986 GDKITOCENSJVOW-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875163703 YGHFLHUNENULJV-TYOLEZHBSA-N 428.431 4.682 30 10 IJEE CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4ccc(C#N)c(F)c4)cc3)c2O1 1891544621 OWYQQBAGWSBJML-UHFFFAOYSA-N 430.479 4.920 30 10 IJEE CN(C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C1(C#N)CCCCC1 1902272464 UZZZBVUMNCFSKR-UHFFFAOYSA-N 443.547 4.743 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC12CN(C(=O)OC(C)(C)C)C2 2059140594 LBDURGNZPXYAOC-DEOSSOPVSA-N 443.544 4.730 30 10 IJEE COC(=O)c1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079197139 UCMHRMWECQRPCW-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2ccc(C#N)cc2Br)[C@@H](C(F)(F)F)C1 2163252863 DFXYRGLJUBPOBK-OLZOCXBDSA-N 448.283 4.778 30 10 IJEE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1c1cc(Br)c(C#N)cc1F 2174814297 GTBOATTZVBQIQT-GRDNDAEWSA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)cc1Br 2181138765 FVZXCNOIFGOSPR-GDBMZVCRSA-N 436.350 4.733 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C 2235731523 QLUUFXNWOCTGPM-OXJNMPFZSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@H](O)C#Cc1ccccc1Br 2235741313 SUVFKKVLGGAMRQ-WOJBJXKFSA-N 428.326 4.528 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@H](O)C#Cc1ccccc1Br 2235742940 ZXCVQJLZMCDJOL-RBUKOAKNSA-N 434.374 4.731 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)CC1(C)C 2261829917 RXFNVTVRUYUNNR-RUZDIDTESA-N 447.572 4.657 30 10 IJEE CC1(C)OB(c2ccnc(Nc3c(Cl)cc(F)cc3Br)c2)OC1(C)C 2266063102 VLESCEDSJSAAOF-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CCc1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=N)NC2=O)c(OC)c1 2293127132 SPBUDTKIXORSDK-UHFFFAOYSA-N 444.940 4.674 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@](C)(NC(=O)OC(C)(C)C)C1CCC1 2296224324 IUHFNEQASBYBOY-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(NN=CC=Cc2ccccc2)n1 2313601791 SKILRMHWDZNZKC-UHFFFAOYSA-N 426.933 4.608 30 10 IJEE CCCN1C(=O)C(=Cc2ccccc2O[C@H](CC)C(=O)O)SC1=Nc1nc(C)cs1 2314932751 PHLWRLSLESKOIB-OAHLLOKOSA-N 445.566 4.708 30 10 IJEE CCCCC1CCC(c2nnc(S)n2N=Cc2cc(OC)c(OC)c(OC)c2)CC1 2322106753 KHDLJSXEVODGGH-UHFFFAOYSA-N 432.590 4.939 30 10 IJEE O=C(C=Cc1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc2c(c1)OCCO2 2322667487 MCONJLAFBRRPSD-UHFFFAOYSA-N 440.455 4.582 30 10 IJEE COc1c(Br)cc(Br)cc1C=CC(=O)c1ccc2c(c1)OCO2 2322698820 KJDWBVVMEBHVDW-UHFFFAOYSA-N 440.087 4.845 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c3C2=O)c1 2323034970 AEYNSDGTXZLJFB-UHFFFAOYSA-N 427.667 4.895 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2c(C)cc(C)cc2C)cc(Cl)c1OC(C)C 2323379621 WKFJQKVGCXOPNJ-UHFFFAOYSA-N 438.977 4.764 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)NCc1ccco1 2323777792 VBMMZFITZMUCBB-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324451276 UULFBTRHFKOABZ-HNNXBMFYSA-N 433.435 4.857 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)cc2)c(OC)c1 2324464983 GOGFMTSTHSHWAS-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCC(=O)OCC(C)C 2324708457 VGNFPFRSSJRYAD-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2-c2cccs2)cc1 2330588834 CBPRUTATCSXAAB-UHFFFAOYSA-N 439.610 4.738 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccs1 2330611002 QBMNILHFWXLQCS-UHFFFAOYSA-N 447.589 4.606 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(C(C)C)cc1 2331154738 SPCDBNWWVPMCBO-UHFFFAOYSA-N 428.480 4.594 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccccn1 2331392315 PXJNEYNMYILEFZ-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2)cc(OC)c1OC 2331453779 JENLGLQBKDEOFH-UHFFFAOYSA-N 440.569 4.677 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cc(Cl)ccc1O 2331640484 NHZHNKADKBXPOX-UHFFFAOYSA-N 443.960 4.511 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCC3)c(OC)c2)cc1Cl 2331818913 DYPKVURDAPPLRQ-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339594237 QNAXDUNELLJZPU-LUOJLBBYSA-N 443.397 4.784 30 10 IJEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339596468 QIDGELOSBOQWDG-JKIKYLSZSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339598303 AQKAVCDKTUBYCK-OALUTQOASA-N 444.381 4.941 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360954536 GCKROBYIRNVJOC-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)COc3ccc(Cl)cc3)cc(C)c2c1 12241193 XKAYNALGJOHQBO-UHFFFAOYSA-N 445.910 4.888 30 10 IJEE COc1cccc(CN/C(=N\C(=S)Nc2cc(C)cc(C)c2)Nc2nc(C)cc(C)n2)c1 14156077 QIWVYIDZNHVEGF-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc([N+](=O)[O-])c2)cc1 21222206 JSNVAHXSVBFLRI-RXVVDRJESA-N 434.492 4.634 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 33379778 XMXGNVZGBNEIRW-JOCHJYFZSA-N 429.428 4.813 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 39848403 DVCNHHACMSQTKL-XMMPIXPASA-N 442.515 4.992 30 10 IJEE C=CCc1ccc(OCCCn2c(CCCNC(=O)C(C)C)nc3ccccc32)c(OC)c1 40204182 GEDHTZIFQNTTIT-UHFFFAOYSA-N 449.595 4.947 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccccc1I 41641718 XKWRPGMQFUCLAG-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1cccnc1)C3 41646471 CQRIKFNWGVMSLK-FMCGGJTJSA-N 428.488 4.757 30 10 IJEE CCCCCCCCOc1c(Br)cc(S(N)(=O)=O)cc1Br 59212195 ZYIJZQVPHYYQPN-UHFFFAOYSA-N 443.201 4.598 30 10 IJEE COc1cc(/C=C\C(=O)c2cc(Br)cc(Cl)c2O)cc(OC)c1OC 96576833 HGJOJJPHZGWPHR-PLNGDYQASA-N 427.678 4.730 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)cc(Cl)c1 100263018 VFUFUAWFMAWZAZ-YUCJCZDXSA-N 426.300 4.723 30 10 IJEE O=C1COc2ccc(-c3cs/c(=N/c4ccccc4F)n3/N=C/c3ccccc3)cc2N1 102960604 NJKJUIIMPQOLQS-DRIVEXFLSA-N 444.491 4.801 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1 103112608 NFNKNBQKPDQISE-AGGMBTAESA-N 442.496 4.931 30 10 IJEE CCOc1cc([C@H]2NC(=S)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 169939058 GZFWUYDYNMJWTQ-JOCHJYFZSA-N 442.968 4.844 30 10 IJEE CCOc1cc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 169939064 AYWGOVCEAJMGBF-QFIPXVFZSA-N 442.968 4.844 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 169987929 REYLOSYEVFZJFU-IBGZPJMESA-N 441.411 4.538 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N2CCC[C@@H](C)C2)C1=O 170055077 ZIUMFUWXFWITNO-LJQANCHMSA-N 442.600 4.876 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2c[nH]c3ccccc23)cc1C 170077830 XFRNYQMECFNMHC-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 170082979 DSJXGKLBLOIEHY-HSZRJFAPSA-N 431.463 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccco1)c1cccc(Cl)c1 170099203 CJXIFPOQGAJTMB-SFHVURJKSA-N 437.814 4.731 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc(OC(F)(F)F)c3)=C(c3ccccc3)C2=O)cc1 170129150 MAASJMQWXGBOJY-UHFFFAOYSA-N 449.388 4.853 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccs2)cc1OC 170155331 PQPVHWSHCDMNBR-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3cccnc3)ccc2O1 170189058 XIXGMTFJINXXBR-JLCFBVMHSA-N 446.890 4.841 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccnc1 170196924 WOZHYCGMPKGJHZ-QFIPXVFZSA-N 434.536 4.909 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)c(C)c1 170258379 NWSOUHSMZSAODT-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC(C)C)cc1 170265116 JDXYVNQECNVTTM-HSZRJFAPSA-N 433.504 4.999 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(CC)cc2)cc1C 170266064 POICFEJXBWCACE-QPPBQGQZSA-N 449.547 4.713 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1ccco1 170274220 ZHCNPOWAUXSUJL-QMHKHESXSA-N 429.472 4.690 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2ccco2)cc1C 170284981 GSZZFEQEEUKMIX-QHCPKHFHSA-N 444.487 4.508 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccco2)c1 170295349 MUUJVMQQKCLGTA-FQEVSTJZSA-N 447.915 4.725 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1c(C)[nH]c2ccccc12 170311811 DBPQRWCKWBZQOH-QHCPKHFHSA-N 448.519 4.872 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170361555 MGVFDDHGJLWIQI-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170452456 KTJXWBBBCIRWNE-OAQYLSRUSA-N 428.479 4.936 30 10 IJEE O=C1C(=NNc2ncnc3sc4c(c23)CCCC4)c2ccccc2N1Cc1ccccc1 254737072 XCLXMQAUMHLJPB-UHFFFAOYSA-N 439.544 4.933 30 10 IJEE O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O 254742097 VSXMJSFBNLNLBA-VKDKGKJGSA-N 442.456 4.726 30 10 IJEE C#CCOc1ccccc1CNc1ccc(I)cc1Br 383521531 IEFJJZCRIMCARK-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE C=CCN1C(=O)N(Cc2ccc(Oc3ccc(F)cc3)nc2)C(=O)[C@H]1Cc1ccccc1 430747196 KPLFOZRREUKBGV-JOCHJYFZSA-N 431.467 4.575 30 10 IJEE C[C@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](c2ccco2)C1 440836647 VGIXMDRHSVDQCD-QFBILLFUSA-N 434.496 4.615 30 10 IJEE CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(F)c(C#N)c1 488951321 YGJLBAINEIYKBA-ZDUSSCGKSA-N 425.323 4.622 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 508879377 FBGGWORUMMHCJI-MRXNPFEDSA-N 439.585 4.551 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 508905986 CCHWFNDGJSZOIE-UZUQRXQVSA-N 431.515 4.642 30 10 IJEE C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 508938064 GISCFFMDTYVEQX-IBGZPJMESA-N 447.587 4.806 30 10 IJEE CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 518995443 CTAPUPBUKHLGMC-QGZVFWFLSA-N 428.492 4.535 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 520704612 UTESUHYFXGALGA-UHFFFAOYSA-N 431.279 4.916 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)cc2)c(OC)c1 526606820 JLUIRUUWOSHUSS-XMMPIXPASA-N 426.472 4.941 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c[nH]c3cccc(Br)c23)cc1 536899081 BOSXVKRLTZPPCM-UHFFFAOYSA-N 438.325 4.997 30 10 IJEE C=CCCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 586205639 MHOCTMQUXRGPOY-UHFFFAOYSA-N 445.176 4.983 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1 609723792 BSQPMQYXAXJLNV-OAQYLSRUSA-N 431.879 4.539 30 10 IJEE C=CCC1([C@H](Cc2ccc(Br)c(F)c2)NCC)CN(C(=O)OC(C)(C)C)C1 722932532 FFUQMEDBASMOAJ-SFHVURJKSA-N 441.385 4.922 30 10 IJEE C/C(=C/C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 778111177 VIORKLSMDDVFLT-JXAWBTAJSA-N 427.470 4.783 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 789718780 DUPAHBAXZSHDQX-UHFFFAOYSA-N 432.561 4.960 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 1124510504 NAGMPXZANKXLIR-UHFFFAOYSA-N 446.894 4.954 30 10 IJEE C#CCN(C(=O)[C@H](C)Cc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1126150665 CZBWMRJTIOYJCW-UTKZUKDTSA-N 426.354 4.922 30 10 IJEE Cc1cc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)nn1-c1cccc(C#N)c1 1127286102 FLACWPPGDYCZLO-HZPDHXFCSA-N 426.442 4.993 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 1128600398 LJHFZJKEYDCMEA-LJQANCHMSA-N 441.369 4.715 30 10 IJEE Cc1cc(COc2ccc(C(=O)Nc3cc(C#N)c(F)cc3F)cc2Br)on1 1132470081 DANVMUXJJYUMTC-UHFFFAOYSA-N 448.223 4.727 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](C)C2)c1 1133786949 RWISBQRJCNYAHA-APWZRJJASA-N 432.973 4.640 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)cc1 1134286586 CFIWYMDLRMHRNY-UHFFFAOYSA-N 431.442 4.612 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1134514934 JNMHITZCFFFHRF-INIZCTEOSA-N 435.446 4.639 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccco2)nc2ccccn12 1137730851 VPRKCHBHLDJQIV-AWEZNQCLSA-N 430.892 4.569 30 10 IJEE C=CCN(C(=O)C1(c2ccc(C#N)cc2)CCCC1)[C@H](Cc1ccccc1)C(=O)OCC 1154300805 BYCSVINEJSSNGO-XMMPIXPASA-N 430.548 4.559 30 10 IJEE CSc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)N(C)C)cc1 1198033071 DAHIHYJSNUZCLJ-JOCHJYFZSA-N 447.564 4.892 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(C)OCCc2ccccc21 1206203846 WGIDKXWRRTVJIW-NRFANRHFSA-N 431.330 4.624 30 10 IJEE CC(C)CN(CCc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1208622311 GBRXNHVXSVYSOU-UHFFFAOYSA-N 428.451 4.606 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 1221966324 RJAPOHGMVPOMOT-QGZVFWFLSA-N 448.380 4.806 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)CC2)c(Cl)c1 1225555690 HGDIZWGHOCQJLN-SFHVURJKSA-N 447.391 4.934 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 1248108829 KDZYYBGDDXBPHD-SAABIXHNSA-N 433.296 4.818 30 10 IJEE CC1(c2ccc(Br)cc2)CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 1251891897 CDCOKWGENASSJI-UHFFFAOYSA-N 430.321 4.723 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)c1ccccc1 1254756091 VPRCUDLBFANALC-RUZDIDTESA-N 433.596 4.961 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C2CC2)nc2ccc(F)cc12 1264281085 RYUFXDBHZDNGGH-UHFFFAOYSA-N 435.451 4.994 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)cc1 1269744847 IXZIOXWWQJMZCC-NRFANRHFSA-N 434.536 4.695 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCCCNC(=O)OCc2ccccc2)C(F)(F)F)cc1 1272442109 AUCPSWUDMHFVFA-NRFANRHFSA-N 433.426 4.911 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3CCC(=O)N(c4cccc(F)c4)C3)c2C#N)[C@H](C)C1 1273946216 GOOUEBQHNGKESF-RRFJBIMHSA-N 425.529 4.826 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(C)(F)F)c1 1286276578 XQDJLWFCLJPIFX-CYBMUJFWSA-N 448.315 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOCC 1286548781 BTAOSUMOWLFDFB-KNQAVFIVSA-N 444.645 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCCC1 1286582792 FSADTBLFAWDAKX-UHFFFAOYSA-N 426.605 4.862 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccccc1 1286613534 APVITYZGSJUBPD-CEMLEFRQSA-N 426.605 4.987 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCO)CC1 1286654256 CUXYWTFVGDPEPM-UHFFFAOYSA-N 433.600 4.918 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1286679641 SAWLDESMZFRPSE-LJQANCHMSA-N 447.612 4.694 30 10 IJEE C=CCCCn1c(N2CCc3c(F)cc(F)cc3[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286706001 LIAJFHAKRHUFFD-BXKMTCNYSA-N 446.542 4.687 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1nc(C)cs1 1286719281 ZRIPXPWTNPGFCF-CYBMUJFWSA-N 432.391 4.898 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC[C@H]1CCCCO1)C1CC1 1286734035 NABMPUUQCLIYNO-LJQANCHMSA-N 431.378 4.822 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCc1ccccn1)C1CC1 1286734640 FMOQEGXMUXXPQQ-UHFFFAOYSA-N 430.375 4.562 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@H](F)c1ccc(Br)cc1 1286754630 BKFUVORBXMJZGW-KRWDZBQOSA-N 430.325 4.925 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@]3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)cc21 1289390707 OQIZBDWLXKIUMK-SANMLTNESA-N 446.551 4.740 30 10 IJEE CC[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1nccc(C(F)F)n1 1291480656 GPPILSYIKSINFE-MRXNPFEDSA-N 449.509 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 1293836447 CWJLWKONJIINHY-DNQXCXABSA-N 445.563 4.892 30 10 IJEE C=CCNc1ncc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)C[C@H]2CCC)s1 1295591532 GMAFVWWQJDKDDP-QGZVFWFLSA-N 438.519 4.891 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1301104938 BVOJALRQLGUUQA-SFHVURJKSA-N 429.609 4.761 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC)c2ccccc2)CC1 1301109485 JPXHMCQCVGYFSF-NVQXNPDNSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301174186 OAWFEPXNNSAQNL-GHTZIAJQSA-N 438.551 4.989 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301177912 AFGOXSHIFADUQC-UHFFFAOYSA-N 431.462 4.521 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301190712 XUUJJVWVTOEQBF-QAPCUYQASA-N 426.458 4.520 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCC[C@@H]1C)C1CC1 1301316460 LGWJOJSSBFBLQQ-QKKBWIMNSA-N 449.368 4.553 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCSC1(C)C 1301416131 CBSIXYMQWPIIJZ-OAQYLSRUSA-N 440.657 4.919 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1301595423 TWXYGPMJNPHXAM-IXDOHACOSA-N 437.009 4.604 30 10 IJEE CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1)Oc1ccccc1F 1305830396 FBMJZAWBTGGMAN-JLGINSKQSA-N 441.551 4.646 30 10 IJEE C=CCOc1ccc(CN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)C(C)(C)C)cc1 1307570482 LBBVMEZVXSPCSP-GOSISDBHSA-N 430.539 4.878 30 10 IJEE COCC[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)c(Cl)c1 1309489832 HYAOBFOHFYXKPY-INIZCTEOSA-N 433.744 4.575 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c1 1310188435 NDSJFNWEAKHDPD-DEOSSOPVSA-N 430.504 4.900 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1)c1ccccc1 1310395539 VRTWGFDPPSFZKS-QGZVFWFLSA-N 437.297 4.873 30 10 IJEE C#C[C@H](NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1)c1ccccc1 1312938155 XKYHQMCNKYQPJQ-NRFANRHFSA-N 427.342 4.514 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccccc2OC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1352033144 AMTYRRNOMYJWNJ-NRFANRHFSA-N 442.478 4.889 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccccc2OC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1354042846 MXPBJMCLRBZODS-HXUWFJFHSA-N 428.451 4.547 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C)c(C)s1 1358871673 IXQNEBJDJROPOA-HIFRSBDPSA-N 429.977 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)CN1CCCCC1 1358877718 JRVTVQPGXRPTDG-UFYCRDLUSA-N 439.673 4.711 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC1CCCC1 1358887790 CAFYCYDQEOGBDS-IBGZPJMESA-N 443.636 4.821 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@@H]21 1358918217 ODDZFJXTDWQVMZ-AABGKKOBSA-N 427.593 4.532 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCSCC(C)C 1358972457 FOXKNWUPOSSVOF-IBGZPJMESA-N 440.682 4.984 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359093079 JWCJHTSUMBVGFG-VABKMULXSA-N 438.616 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nccn1C(F)F 1359115708 KXEHJUFRFZMGLH-UHFFFAOYSA-N 430.503 4.516 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCCc1ccccn1 1359146151 OSOOSEKPCZXZEQ-UHFFFAOYSA-N 432.355 4.824 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 1359194910 CZMFGAFCYAHEDT-NZQKXSOJSA-N 431.584 4.628 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCC(C)(C)F)c1 1437480632 MXKCVDBPQVPUGU-UHFFFAOYSA-N 438.952 4.589 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(Br)c(Cl)cc1OC)C(C)C 1443431700 VYICGZBCHFIZFY-QGZVFWFLSA-N 429.786 4.540 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(Br)cc1 1450269620 FPCGUYLEVDCNRA-QGZVFWFLSA-N 439.334 4.867 30 10 IJEE Cc1c(Br)cccc1CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1458219427 AFUMAYOWLVNEIC-UHFFFAOYSA-N 429.705 4.650 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1C 1459605395 DBSGTOCDKGJEDE-GMAHTHKFSA-N 439.625 4.980 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1462637087 YJCOUGLVKOECAG-YKSBVNFPSA-N 438.612 4.923 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(Br)cc1 1465421853 CSTIQFPQLGJZDS-ZOCZFRKYSA-N 442.357 4.559 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C 1466817337 ZEVUXUJPSWGWDQ-RDTXWAMCSA-N 425.367 4.977 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc(Cl)ccc1Br 1469385943 COFYWLSQOVSUQG-UHFFFAOYSA-N 446.732 4.783 30 10 IJEE CC(=O)c1ccc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)c(F)c1 1471652304 YEDJBGQXHZQUDZ-UHFFFAOYSA-N 433.288 4.733 30 10 IJEE CN(Cc1ccccc1)C1(CNc2cc(Br)c(C#N)cc2F)CCOCC1 1472871804 PJBSLZJBOKKDDH-UHFFFAOYSA-N 432.337 4.553 30 10 IJEE C=CCOc1ccc(CNc2cc(S(=O)(=O)N(C)C)ccc2OC(C)C)cc1Cl 1474172480 QBFIXIRHJJYCPP-UHFFFAOYSA-N 438.977 4.554 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)[C@]12CCCO2 1476017120 FGWBFDMMNGTCRU-MQSCRBSSSA-N 441.915 4.852 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1478773310 BYZGLGQZQJEVRR-UHFFFAOYSA-N 449.661 4.527 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1507557884 OGLFRKPPXKGZBQ-UHFFFAOYSA-N 444.486 4.732 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2cc(C)ccc21 1507590810 HANOBKNNRMPJCE-UHFFFAOYSA-N 449.599 4.809 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507665241 TWAAWYBVINSXAX-OALUTQOASA-N 430.474 4.710 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1Cc1csc([C@H](C)OC)n1 1507699702 JOZXWMZWJMYPEF-IRXDYDNUSA-N 441.576 4.783 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1507765826 GBOQPPXDGMZIGS-DENIHFKCSA-N 443.448 4.953 30 10 IJEE C=C(Br)Cn1c(N(C)CC2CC(F)C2)nnc1C1(c2ccccc2)CCC1 1507792331 GIMLJSXUDTVAIN-UHFFFAOYSA-N 433.369 4.841 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N(C)Cc1cc(Br)cs1 1507835420 AEPYNMJUUMVNJU-AWEZNQCLSA-N 427.412 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1507912076 LVWDUROOSBUINO-IBGZPJMESA-N 436.579 4.740 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1507913865 FCQFIXBBHHVQMV-FTRWYGJKSA-N 445.435 4.625 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1507926717 UFGZXRXLIJMZKM-HXUWFJFHSA-N 429.996 4.840 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C 1507935350 PQFMLCDFXIOOKO-IBGZPJMESA-N 425.558 4.548 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@H]1C(=C)C 1508011576 HVCQHOWWTSFOSP-QAPCUYQASA-N 449.418 4.929 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1508167400 IRPBHRZCXFLPFJ-QGZVFWFLSA-N 426.508 4.704 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H](C)CC#N 1511915537 BXJOZEVLWFRDIG-RVKKMQEKSA-N 440.523 4.704 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C(F)(F)F)ccc2N(C)CCCC)c1 1516760660 GGFNWZCVUXQYKC-UHFFFAOYSA-N 445.485 4.634 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)CCCN1C(=O)OC(C)(C)C 1520560276 JTYBJLQJDUWZBM-ZDPRRSKRSA-N 429.586 4.778 30 10 IJEE Cc1cccc(N2CCN(Cc3ccc(NC(=O)[C@H](CC#N)c4ccccc4)cc3)CC2)c1 1525216248 HTHFEHVGMXUFNG-HHHXNRCGSA-N 438.575 4.953 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2ccc(C)cc2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1529014554 JQHCLDWCNQWZBC-HSZRJFAPSA-N 448.588 4.850 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)sc2c1CC[C@H](CC)C2 1530204143 FMISAMXJOOTYMJ-GJZGRUSLSA-N 426.538 4.717 30 10 IJEE CCOc1ccc([C@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C(C)C)cc1OCC 1531590557 HFLOBFQIXUTRDM-RUZDIDTESA-N 446.551 4.977 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 1535635065 FOUZFAMRRWGNRU-UHFFFAOYSA-N 426.463 4.623 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1 1538504304 NDMORTLFALXMKM-UHFFFAOYSA-N 431.517 4.658 30 10 IJEE C=CC[C@@H](CC)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 1538548301 OSZOXVYMVWJPRK-MRXNPFEDSA-N 428.508 4.776 30 10 IJEE Cc1c(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1538985392 CDPGIKJTNNPCES-QAPCUYQASA-N 427.570 4.989 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1539359766 RLVRAPHTPGSGRK-CVEARBPZSA-N 436.478 4.715 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCC[C@@H](O)C1 1539677493 FEXJUMZIDKWYBQ-RBUKOAKNSA-N 430.618 4.533 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1539774879 GEGZLFLGROLQCJ-HZPDHXFCSA-N 447.370 4.551 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)C(F)(F)F 1539815924 AKWQXGLHINELHO-AVRDEDQJSA-N 430.474 4.725 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C(CC)CC)no2)CC1 1539855358 VEFOACHNYXUCCK-UHFFFAOYSA-N 426.590 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCC(F)(F)F)CC1 1539882130 SMKVNTOESXJSQY-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C)(C)CC1 1539918501 NKYKYCRULBYPQY-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCSC(CC)(CC)C2)nnc1[C@@]1(OCC)CCOC1 1539930928 FJYOJEZVGNLOKY-HSZRJFAPSA-N 436.666 4.645 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1540012423 LXXQMGOFUHVUTJ-UHFFFAOYSA-N 429.977 4.625 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CC(C)(C)C(F)(F)F 1540119760 MLAXTWRAMPPIPT-UHFFFAOYSA-N 446.477 4.525 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC)n1Cc1ccc(N2CCCCC2)nc1 1540180476 OVPRPTGCDUYQAO-UHFFFAOYSA-N 430.600 4.509 30 10 IJEE C=CCC(F)(F)C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1540402303 DUNCHOWKYNEIOR-UHFFFAOYSA-N 434.386 4.656 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F)C(C)C 1542931967 BZBPKYXJKKPHEQ-HXUWFJFHSA-N 434.506 4.628 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 1542970680 XNSKUIJGSNQXLI-UONOGXRCSA-N 432.735 4.710 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 1544464170 FRJHWKACGCTZRY-HSZRJFAPSA-N 438.572 4.560 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1OCCN1CCCC[C@H]1C 1544465591 POANSHDYDONESM-JOCHJYFZSA-N 438.616 4.936 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3ccccc3Cl)CC2=O)cc1Cl 1544805362 ADIBPFZQNNNLJI-YWZLYKJASA-N 428.319 4.582 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 1546060580 CWYRKKCMZRANNJ-UHFFFAOYSA-N 449.389 4.824 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(CCOC)CCC1 1546626911 DLEVIYGOWCPABY-TZIWHRDSSA-N 437.588 4.560 30 10 IJEE COC1(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1554706493 AKIBJCLWSSMTPS-QFIPXVFZSA-N 445.514 4.636 30 10 IJEE C#CCN(C(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@H]1CCCc2ccccc21 1558542874 ZAVXIIAMEPDCOQ-ZEQRLZLVSA-N 430.548 4.573 30 10 IJEE CC[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC[C@@H]1NC(=O)OC(C)(C)C 1559158557 AYFDMZHMCZAANO-LRDDRELGSA-N 426.330 4.589 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 1561876759 QGIDNUHBUWJBQE-QGZVFWFLSA-N 439.331 4.733 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](CO)Cc2ccc(C)c(C)c2)cc1 1562304237 GGAYLZUDOHPXAZ-JOCHJYFZSA-N 445.519 4.701 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 1564912949 DPUMOIRQWMGOFJ-UNMCSNQZSA-N 438.547 4.556 30 10 IJEE CC(C)(C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cc(F)cc(C#N)c1 1565710265 AJCCNHCRJDNARB-HXUWFJFHSA-N 431.914 4.548 30 10 IJEE CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1566372566 ACJARWSDLPDTSS-UHFFFAOYSA-N 449.938 4.914 30 10 IJEE C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1569417043 FPFUTVUYDAAOAC-AWEZNQCLSA-N 429.517 4.574 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(OC)c(OC)cc2I)CCCC1(C)C 1586319371 GTXFECLHJULDGQ-QGZVFWFLSA-N 443.325 4.515 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCOCC)[C@H]1CCc2ccccc21 1587276484 AHQHVAQQCLDEDG-UXHICEINSA-N 436.980 4.575 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1C(F)(F)C12CCC2 1587587136 YHZUMYJFTUVNDO-WCQYABFASA-N 441.345 4.662 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCCc1nc(C)cs1 1587937042 GBLDQMHKLIWSAS-UHFFFAOYSA-N 444.402 4.565 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1588265582 DLSRTBNNPMPWON-XQBPLPMBSA-N 428.552 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)C(C)C 1589171731 QJSRFEPHAWPMHV-DNQXCXABSA-N 426.630 4.675 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1594698336 NQFNLPBZZYFQMN-OALUTQOASA-N 443.592 4.942 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C(F)(F)F)cs1 1594885702 MOLCNGHFOVIHIQ-UHFFFAOYSA-N 445.417 4.692 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(OC)C1CC1)C1CC1 1595033537 KDWISBBPRSQTPM-QFIPXVFZSA-N 445.405 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CCC 1595148872 ANOOQBXBLDNEOM-NRFANRHFSA-N 436.629 4.859 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1c1cccs1 1595398699 JRUIBUJARXVFLA-SFHVURJKSA-N 443.617 4.982 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(Cl)=C(Cl)C2)cc1 1595608487 SJMULGQLHPCCQP-UHFFFAOYSA-N 444.366 4.796 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(N2CCc3ccccc32)CC1 1595838634 XAEHGSHYWZWUHN-LJQANCHMSA-N 425.646 4.742 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1)c1ccc(F)cc1 1596936625 NLNNKJGIXGTKJN-HSZRJFAPSA-N 425.463 4.791 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC1(SC)CCC1 1613820166 BDQUEDJNOQEMBJ-UHFFFAOYSA-N 439.629 4.835 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2O[C@@H](CC)C(C)=O)S/C1=N/c1cccc(O)c1 1614237021 IMPDAKYQJWXKCS-ZMADGNTCSA-N 436.533 4.929 30 10 IJEE C#CC[C@]1(C(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C 1616467402 FMHACOOEOUQZMB-BXKMTCNYSA-N 430.976 4.621 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)Cc2cccc(OC(C)C)c2)n(Cc2ccccc2)c1C 1616905068 FHJAGXKYRSONAI-UHFFFAOYSA-N 444.579 4.883 30 10 IJEE C=CCC[C@H](NC(=O)CCCN1CCN(C(C)C)CC1)c1ccc(C(F)(F)F)cc1 1623620803 RREKNNLVFOAVBZ-NRFANRHFSA-N 425.539 4.635 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(Cl)cc1F 1623825268 BHTPRPPTWQHIIH-FUHWJXTLSA-N 425.674 4.770 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cc(Cl)cc(C(F)(F)F)c3)C2=O)cc1 1623854293 HPASGABQUHSVQM-QGZVFWFLSA-N 436.821 4.548 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)OCC 1624252319 WUARHFBCRXTUES-CYBMUJFWSA-N 432.851 4.633 30 10 IJEE C#CCN(CC)C(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1625501919 IFJGNNXTIOSWEO-UHFFFAOYSA-N 432.564 4.812 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 1630655313 DWCKNDCVNFVHOL-UHFFFAOYSA-N 434.580 4.656 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 1633670850 YPSLDFPFJXZZEO-CQSZACIVSA-N 449.857 4.552 30 10 IJEE CC#CCN(C)C(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1636787033 UKIRKCLBWBPNLE-UHFFFAOYSA-N 432.564 4.812 30 10 IJEE C#CCN(C(=O)NC[C@H](OC)C1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1637282653 LLGCMEWFGALMBK-CTNGQTDRSA-N 449.389 4.513 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Br)ccc1C 1640616033 WMTAEVMVSYWHIG-KRWDZBQOSA-N 425.367 4.623 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)OCC 1640862863 CEQMHIAUOZXTDX-PMACEKPBSA-N 446.341 4.583 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2cccc(OC)c2)s1 1644186102 IEUMJZBDSTZGGT-UHFFFAOYSA-N 446.532 4.745 30 10 IJEE C=C1CC(C)(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)C1 1650378514 YGRXTUAWEKIUKC-UHFFFAOYSA-N 426.557 4.534 30 10 IJEE CCOC(=O)c1oc2ccc(Br)cc2c1COc1ccc(C#N)c(OC)c1 1651953172 GCFJAVMUUYGUMX-UHFFFAOYSA-N 430.254 4.831 30 10 IJEE C[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1653690292 CABRGNFXYNINSJ-HMFYCAOWSA-N 445.485 4.803 30 10 IJEE C#C[C@H]1CCCN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 1654037143 XBGUWLXTUUTEAB-JTSKRJEESA-N 446.532 4.743 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1[C@H](C)C(=O)N(CCC#N)c1ccccc1 1657605794 FKNGAWLRFRQCMC-CTNGQTDRSA-N 442.007 4.973 30 10 IJEE O=S(=O)(N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1F 1663074411 DRCGEMJJIMJXQM-HNNXBMFYSA-N 429.357 4.687 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1scc(Br)c1Br 1663084954 RXPMHOITNMZCFG-KOLCDFICSA-N 443.226 4.686 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C)cc1 1664021557 ZSEJYJOVQXVKCO-LJQANCHMSA-N 448.629 4.605 30 10 IJEE C=CCCSCCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 1667442544 NQDPJLSGYYTVMD-IRXDYDNUSA-N 449.617 4.538 30 10 IJEE COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1668868744 GQFCKIYLJKGANW-GOSISDBHSA-N 434.970 4.743 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1 1669654258 FZJDMFLWXHKHOF-DEOSSOPVSA-N 434.923 4.927 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]1[C@H](O)c1ccccc1 1670845788 UKUUWQMQLUJLLZ-AZUAARDMSA-N 431.330 4.744 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1(c2cccc(F)c2)CCOCC1 1672209352 BMYVYWKSFPNPIU-UHFFFAOYSA-N 449.320 4.980 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C 1672708859 UZFKLNJRTOPNBL-OAHLLOKOSA-N 441.366 4.749 30 10 IJEE C#CCOc1ccc(CNC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)cc1 1672951944 NHOUFDWEPMJNDM-LPHOPBHVSA-N 427.342 4.549 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cnc(Oc2ccccc2C#N)cc1C 1673313501 ORZXWGGWUCFXLW-UHFFFAOYSA-N 432.480 4.750 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1ccccc1 1673499162 JNGFMYMOUPPPRX-MRXNPFEDSA-N 449.370 4.608 30 10 IJEE C#Cc1cccc(CNC(=O)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)c1 1673630702 HYFGCBNYBXFMSG-NRFANRHFSA-N 441.369 4.630 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1)c1ccc(Cl)cc1 1682352559 PGEZBTZFUPEXNB-LOSJGSFVSA-N 448.950 4.968 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OC)c1)c1ccc(Cl)cc1 1682352560 PGEZBTZFUPEXNB-RPBOFIJWSA-N 448.950 4.968 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](O)COc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1685817543 QQKSBDCAHWEKGV-ICSRJNTNSA-N 440.437 4.591 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173364 HABBBTWQKFBZEC-BTCOZLQPSA-N 435.515 4.671 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC)[C@H](C)C1 1689880118 RIFVAUOCSPSTBW-LJQANCHMSA-N 425.646 4.609 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCC2(CCCCC2)C1 1690184264 GKAZXYYQIICACN-UHFFFAOYSA-N 438.641 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OCC)C1 1690238266 HFNDBOZCJIIDIM-GIVPXCGWSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1690311222 FTUMWPPVRGRSHB-LJQANCHMSA-N 438.494 4.768 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCC[C@@H](C)C2)CC1 1690364856 YSHWPPPPMBHZBT-OFNKIYASSA-N 437.632 4.923 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN(CC)CC)CC1 1690367707 ZAWPOZOFGPPPER-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2CC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 1690417470 SRBHOLNSQXGBSE-ZJSXRUAMSA-N 437.632 4.518 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1690418940 BTVPBVPFESLKTC-HXUWFJFHSA-N 437.632 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1690424601 UHNHTNPVLQWMNF-IBGZPJMESA-N 436.560 4.632 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 1690445040 QOZRRDCQEFMTME-DEOSSOPVSA-N 444.627 4.786 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C)CC1)c1ccccc1 1690446759 FPARECXJRATFFM-VJBWXMMDSA-N 438.616 4.988 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@@H]1C(C)C 1690556353 UXRRKEPEPNMDCQ-ISKFKSNPSA-N 447.583 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CCc1ccn(C)n1 1690573959 JUMJOPWDLUZYFI-UHFFFAOYSA-N 438.988 4.829 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)c1ccc(C)cc1 1690613746 SCMIUASTMOFONS-GOSISDBHSA-N 425.964 4.744 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)[C@@H]1CCSC1 1705537151 WAAAOMICCKZNEW-LJQANCHMSA-N 433.021 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(C)CCCS1 1705668730 SEGNQWXAQRUTLZ-ZQMYSKGWSA-N 428.577 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCCOCC 1705677425 OBHOHHDQJPSPDX-AREMUKBSSA-N 438.616 4.963 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC[C@@H]1C 1705695295 BKXZMVNMVTUHQD-UDIDDNNKSA-N 438.616 4.805 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705723880 CFHBCJZGNIGVEC-IBGZPJMESA-N 428.886 4.704 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1705777660 JSVYPQWGPKEZPQ-NRFANRHFSA-N 436.991 4.699 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CC(=O)Nc2c(C)cccc2C)CC1 1705783323 BRZDLUMKLHQUGU-UHFFFAOYSA-N 435.597 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1705789290 FXUSESCQKNMLCO-UHFFFAOYSA-N 432.494 4.936 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CCCNC(=O)OC(C)(C)C 1705862995 DCPUATPWKVZAEC-UHFFFAOYSA-N 445.583 4.822 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705887964 UXESTIQCCCGGGA-CYBMUJFWSA-N 435.277 4.986 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](OC)c1ccccc1 1722279075 GIZQRIMRCOOPLR-LVCYWYKZSA-N 434.609 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722302327 HKBCMEDCVWRFEB-SVMVAKDDSA-N 445.007 4.810 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](CC)N1CCCC1 1722344335 INTPCBCFQOBWMR-FPOVZHCZSA-N 444.023 4.632 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCS1 1722402052 OESMXMYUKIBVJU-LJQANCHMSA-N 431.030 4.582 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCOC(C)(C)C1 1722453325 YFXAYTBNADYUDG-UHFFFAOYSA-N 447.029 4.795 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC 1722498846 FLUHDWVRJSSTNO-SLFFLAALSA-N 447.624 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 1722508670 KBUGGYRMKDDNQF-UWJYYQICSA-N 444.004 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722562726 JPRRWJWPJFVFRF-SZPZYZBQSA-N 437.632 4.868 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1722596214 FFJPTCXHDQGGTA-NRFANRHFSA-N 447.549 4.980 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1722646820 LWLVTBWXPGEHAN-PMACEKPBSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1 1722660201 OXPTWPMPLWLZAF-WOJBJXKFSA-N 430.593 4.790 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1722660734 FHPRHEIHDDYDLX-PMACEKPBSA-N 449.574 4.799 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCSC1(C)C 1722666808 YILLDKNUKBCBFU-GOSISDBHSA-N 428.602 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1nc2c(s1)C[C@H](C)CC2 1722670222 CQVHTKHSPQNIEM-QGZVFWFLSA-N 437.588 4.816 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)(C)C)CC1 1728233388 FQVIKPKWFCAJCH-VXKWHMMOSA-N 439.604 4.663 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(C(C)(C)C)CC1 1740570793 HRKKAHQIVRWBEU-UHFFFAOYSA-N 446.599 4.714 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCCS1 1740614019 CBNCRNGQFWKHBZ-OAHLLOKOSA-N 425.385 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cc(Cl)ccc2OC)nnc1C(C)(C)C 1740766141 GDQAYUSZFMUHBT-JXFKEZNVSA-N 432.996 4.855 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cccs1 1740778387 AQQOKOQBVFFDOK-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(F)F)C1 1740790147 PTDZBBTWCDCEKK-SFHVURJKSA-N 427.499 4.568 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2OCCOCC)CC1 1740828571 PCCQYXZRGYNBQN-UHFFFAOYSA-N 438.616 4.939 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(C)CCCO2)CC1 1740837647 ZDMMAWQQFZWIBO-RUZDIDTESA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C)(COC)CC1 1740850177 CXNCYUVNZCBYFH-OAQYLSRUSA-N 440.588 4.646 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)C)CC1 1740868080 DCMHPMOGKHQDEY-JOCHJYFZSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccnc(SC)c1 1740924405 PUMXWZSCJILDGF-GOSISDBHSA-N 427.599 4.549 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1740929856 BGIXHPLGTHYFPN-XMMPIXPASA-N 446.599 4.608 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1740969315 MVRBJAQUXHUZIT-VQTJNVASSA-N 437.613 4.997 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)N2CCCC2)C1 1740979026 ATDBNBLAPRADIM-VQTJNVASSA-N 443.661 4.547 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1741002396 MHRIKQDVSVKCIR-SFHVURJKSA-N 431.625 4.640 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)C1 1743029521 HXXCVJFBWNKZJV-TZIWHRDSSA-N 437.588 4.560 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccsc1 1748945392 SDBIPPSYPQOWHT-DEOSSOPVSA-N 438.572 4.684 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1749046590 CBMZGHDQARLVRX-SFHVURJKSA-N 426.630 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CCCn1cc(Br)cn1 1749149912 IWLJKOCAFXWGEU-UHFFFAOYSA-N 447.356 4.536 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1749276063 CCGWGOKHENFTJS-ZWKOTPCHSA-N 436.025 4.560 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1749287790 AWZVTDJSSCWKOG-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)(C)C)CC1 1749391712 ZXEAEUSQEYKTLV-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCCCn1c(N2CCO[C@H](c3ccc(Br)cc3)C2)nnc1C(C)(C)C 1749439966 OINUGSYHDQOVJD-SFHVURJKSA-N 433.394 4.882 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC1(C)C 1749449145 JBRVCQBZWWGDMY-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC2CC2)C1 1749701789 YQLSDLNBECSKNW-SFHVURJKSA-N 431.378 4.597 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(OC(C)(C)C)CC1 1749757823 CUTSCIPKEYPMHV-UHFFFAOYSA-N 444.645 4.581 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142898 QBFGCOIDRDPWCA-QHAWAJNXSA-N 441.620 4.621 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(C)(C)OC[C@@H]1C 1760352256 TZHHYBDUFOMVPK-SFHVURJKSA-N 444.645 4.872 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Br)o1 1760370962 KKYDKVWDGWTUMA-UHFFFAOYSA-N 443.132 4.738 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCCC[C@@H]2C)CC1 1760390293 CGTFVVWUDBLFDK-NRFANRHFSA-N 425.596 4.819 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1760436551 UNYNUCWQILMCCA-UHFFFAOYSA-N 442.608 4.713 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1760438408 GTDDHEMNVPNQTN-LJQANCHMSA-N 425.577 4.610 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC1(F)F 1760478382 FYRYJEYXXAKJPU-WOJBJXKFSA-N 446.542 4.809 30 10 IJEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)s1 1761777157 AEAGSXRDAIDDND-OALUTQOASA-N 439.560 4.873 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)C)n1CC1CCC(F)(F)CC1 1769818711 CGBIJCCQMMOXJW-UHFFFAOYSA-N 431.531 4.752 30 10 IJEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)c2ncc(C)s2)c1 1770330593 DYZCJPGOQLPAKT-INIZCTEOSA-N 436.585 4.652 30 10 IJEE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)c1 1772749601 CZMHCLZYZRNANL-UHFFFAOYSA-N 448.548 4.876 30 10 IJEE CCCOc1ccccc1C=NNc1nnc2c3cc(Br)ccc3n(C)c2n1 1772765335 RRHSYWJNAYJRKA-UHFFFAOYSA-N 439.317 4.514 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 1772790394 NRYFPFTUSRZHEH-IBGZPJMESA-N 442.254 4.868 30 10 IJEE COc1ccccc1CCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1 1859656997 MYQOUEKQSDGQLP-UHFFFAOYSA-N 439.519 4.797 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4cccnc4)nc3c2)c(C#N)c1C 1859736112 KMTTXNIFYRBELE-UHFFFAOYSA-N 432.461 4.560 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379815 LONFDUJRUHASQX-IBGZPJMESA-N 434.319 4.734 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C(=O)O)cc1 1862478137 ZRIOKTRBCBBFEQ-SAWYMBPVSA-N 433.504 4.850 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2c(Cl)cccc2Cl)c1 1862498601 LVZFTGULLYNSAI-YJYMSZOUSA-N 434.319 4.569 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2)cc1 1862554585 GMYOJJYKYUHMHJ-MWTRTKDXSA-N 428.488 4.617 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862592254 YUEZRPWDBBOZOC-IBGZPJMESA-N 425.893 4.886 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(O)cc2)cc1 1862686710 CPMBVOILCQUWSL-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862689041 HGAMNFWYIIWIGL-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 1862738479 CBRIOOPMWLTVRB-HXUWFJFHSA-N 442.418 4.784 30 10 IJEE CC(C)Oc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2)C1=O 1862765702 MFHQJBCMHBUPHL-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)nc(-c2cccnc2)n1 1869364306 YJSYCQDBWAQSCS-VXKWHMMOSA-N 440.595 4.821 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870416946 WOFPIEKRJGDXRD-NHCUHLMSSA-N 442.600 4.561 30 10 IJEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870540729 KVNDTVNCNWEVTP-SZPZYZBQSA-N 436.637 4.622 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCCC)cn1CCCCN1CCCC1 1870675144 WMQHSIYPRLWALS-UHFFFAOYSA-N 429.649 4.857 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1ccc(CC)cc1 1871159722 PBELYVSJXPCCLU-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE O=C(CCOc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871383975 JMJMADPJSNVXRT-HMAPJEAMSA-N 431.400 4.586 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)cc1 1871390827 LCFUGYXSBQXJFJ-HMAPJEAMSA-N 443.455 4.931 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc5c(c4)OCO5)ccc3C2=O)cc1 1871429438 HGWYDWMSYAQCLS-MYKKPKGFSA-N 443.455 4.611 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 1871432388 AVQADUOIQFMJQN-JJUBJSHISA-N 440.492 4.739 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cccs1 1872320511 MSUQMZUPYOYQBA-LJQANCHMSA-N 436.599 4.521 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872408106 KAWUGCNKPDIYEH-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 1872785117 GCSKHSRHUKFMDJ-MRXNPFEDSA-N 442.924 4.908 30 10 IJEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1872870432 AQZZDOMVQFAWOX-UHFFFAOYSA-N 436.552 4.687 30 10 IJEE Cc1cccc(N2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)cc3)CC2)c1C 1872874523 NHOFCHYLRPGJEV-UHFFFAOYSA-N 425.532 4.717 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@H](C)CC)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330956 XOFNANYFKCBWCR-LJQANCHMSA-N 446.547 4.945 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874305753 NJNXCTYNDJMJAL-YZSQISJMSA-N 444.560 4.952 30 10 IJEE Cn1cccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1 1874316976 TXSWXTZPGRHMBL-XIEYBQDHSA-N 431.565 4.803 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cc(Cl)ccc2O)cc1 1874443793 LBLYNCPDNJSXMQ-AOOMUMSASA-N 428.945 4.972 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C(C)C)cc1 1874509012 HFABSUKPZRWOQW-ZMOGYAJESA-N 441.532 4.552 30 10 IJEE CCOc1ccc(/C=N/n2c(CC)nnc2SCc2cccc(F)c2)cc1OCC 1874524306 IBJLQXYHCPMGSY-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2C2CCC2)cc1OCc1ccc(Cl)cc1 1874558744 VULIVZBZQLTWEJ-FSJBWODESA-N 428.945 4.958 30 10 IJEE CCCOC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc2c(c1)OCCO2 1874581881 KSRIMNPGBBLHKW-MDZDMXLPSA-N 432.472 4.839 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c(OC)c1 1874587790 FAEQBZDTSJGOEU-NRMGUKERSA-N 445.515 4.856 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3F)c2)cc1OC 1874693923 CXSFCRHNFVOGRI-DHZHZOJOSA-N 436.435 4.967 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874698220 MJLRYMSWLPOUEX-VZUCSPMQSA-N 448.387 4.627 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC 1874710360 YIOSGYLFJVXOMD-NTUHNPAUSA-N 436.435 4.723 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1 1875129762 RXJZPDPTSWWYPC-KPKJPENVSA-N 433.460 4.613 30 10 IJEE CN(CC#CCNC(=O)Cc1cc(Cl)ccc1Oc1ccccc1)Cc1ccccc1 1891671259 BWYAFMDSGNLTIM-UHFFFAOYSA-N 432.951 4.926 30 10 IJEE C#CCN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893242120 VPNPWECGFBRZNL-UHFFFAOYSA-N 440.122 4.689 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1902331402 DEXKTVKGNJMBBM-ZNMIVQPWSA-N 435.487 4.761 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1cc(Br)cc(Br)c1 1922086214 ONIKALMPEKVWNM-SFHVURJKSA-N 440.131 4.587 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CC(C)(NC(=O)OC(C)(C)C)C2)cc1 1947414376 CFDWIBCJYVWJNF-UHFFFAOYSA-N 431.533 4.776 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@@H]1C#N 1985179780 QYFQSWMOIRAKPL-ISNLERQRSA-N 445.563 4.748 30 10 IJEE CC(C)n1c(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O 2042441742 AINXMXFQDDPHRG-UHFFFAOYSA-N 433.577 4.950 30 10 IJEE C#CC[C@H](C[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C1CC1 2076090275 AZLWANSYDCEZNA-OASJLCFRSA-N 439.644 4.574 30 10 IJEE N#Cc1c(Br)cccc1N[C@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2156312371 IEDGMOSQPLXJBO-GOSISDBHSA-N 426.358 4.556 30 10 IJEE C[C@@H](C1CC1)N(CCC#N)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2181047455 VCNPLSVFPIZTEV-ZDUSSCGKSA-N 436.350 4.950 30 10 IJEE C[C@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)CN1C(=O)OC(C)(C)C 2181115198 RKUCWHQGSXLOCT-WWGRRREGSA-N 436.350 4.541 30 10 IJEE CN[C@H](C#Cc1cccc(Cl)c1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2216977677 POHVCGQCMDENPF-SXSPYAJSSA-N 442.987 4.778 30 10 IJEE O=C(C#Cc1ccccc1Br)c1cc(Br)c(Br)o1 2220257061 AODLFOILYWUJBQ-UHFFFAOYSA-N 432.893 4.802 30 10 IJEE Cc1c(Br)csc1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2226120252 FEPZGRBATTYRCD-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)CC#C[Si](C)(C)C 2229106541 WKJYIQAOHJQDMM-ZWKOTPCHSA-N 440.454 4.517 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1C 2235718715 DXZJOAKOYQWWDN-NBCNXNJRSA-N 435.406 4.862 30 10 IJEE C[C@@H](C#N)C1CCN(C(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)CC1 2236700198 NBTCAJAYUNNKDC-ZDUSSCGKSA-N 436.350 4.808 30 10 IJEE CN[C@H](CC=CC#CC(C)(C)C)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2248472406 AHHIUNSCIMHAKS-HSZRJFAPSA-N 427.633 4.597 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2262205583 LTQORNRTUDDASX-VWLOTQADSA-N 445.556 4.553 30 10 IJEE C[C@H](Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)c1cc(Br)cs1 2266057599 JUGKEVUFYNIFKW-JTQLQIEISA-N 427.148 4.517 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)CC(F)(F)F)cc(C)c1B1OC(C)(C)C(C)(C)O1 2267110500 FGBQLZMMMGXIFH-UHFFFAOYSA-N 447.306 4.807 30 10 IJEE C=CCCC1([C@@H](Cc2ccc(Br)c(F)c2)NC)CN(C(=O)OC(C)(C)C)C1 2281044601 DUNHUSKRCRJWHV-GOSISDBHSA-N 441.385 4.922 30 10 IJEE CC1(C)OB(c2ccccc2C(=O)N(CCc2ccccc2)Cc2ccccc2)OC1(C)C 2281947772 QMTWWPPFKUWMSH-UHFFFAOYSA-N 441.380 4.871 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 2296116299 YPGUQHRFLCYIHA-QFIPXVFZSA-N 446.890 4.925 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1CCN(C(=O)OC(C)(C)C)CC1 2296219354 NFCCEJGXKHJBGL-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 2296932722 JRZJLIIWTKBYAX-DEOSSOPVSA-N 434.580 4.882 30 10 IJEE CC(=O)c1ccc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(F)cc3)cc2)cc1 2297346460 ISMBVCFQNZNCEW-UHFFFAOYSA-N 438.480 4.638 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@@H]1c1ccccc1 2297456687 SUZNQNRXMHUOAS-HSZRJFAPSA-N 425.440 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 2307589211 ABPNCVRANUZPKG-QWAURFOWSA-N 433.593 4.999 30 10 IJEE CN1C(=O)C(=C2SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)c2ccccc21 2314540169 KJZSGGYGAULCME-UHFFFAOYSA-N 446.919 4.890 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 2322456835 FGJBZNHLWKDDCT-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCCCOc1cccc(C=Nn2cnnc2SCc2ccc(C(=O)OC(C)C)o2)c1 2326862828 GOXZGBCRUGZUHP-UHFFFAOYSA-N 442.541 4.790 30 10 IJEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(OCC)c(OC)c1 2329354558 BNLRUBXTGFMUDI-UHFFFAOYSA-N 440.569 4.787 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1ccc(Br)cc1 2330131471 ONPFKICUBSFRJW-HNNXBMFYSA-N 445.386 4.549 30 10 IJEE OCCCSc1nnc(Cc2cccs2)n1N=Cc1ccc(Cl)c(Cl)c1 2330423199 TVRASWZBLQTJPE-UHFFFAOYSA-N 427.382 4.594 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc(C)c2)o1 2330576701 YPOWWLOHZFLOHG-UHFFFAOYSA-N 438.534 4.869 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)cc2)cc1OC 2330707496 KCXHQUQPNUHNQK-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)cc1OC 2330718211 BWCDWYKWQCPYAF-UHFFFAOYSA-N 442.508 4.959 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccncc2)cc1C 2331030096 RGZISTRNDBUQBV-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccc(F)c1)c1ccccc1 2331412872 OVFORYDEBATLJR-INIZCTEOSA-N 439.560 4.566 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)c(OC)c1 2331716856 CMPTZDNWUXVLAB-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1 2331756868 GTPHOVWXKPOJKG-UHFFFAOYSA-N 443.761 4.929 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)c2cc(C)cc(Br)c2OC)C1 2339674809 NRECUESPXGNCMC-KRWDZBQOSA-N 425.367 4.627 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2363626744 BMQYYZAYKFKMCY-RBUKOAKNSA-N 449.414 4.586 30 10 IJEE Cc1cc(CN[C@@H](C)c2cc(Br)cs2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369687002 YUJWLDOYFGEXFN-AWEZNQCLSA-N 436.224 4.969 30 10 IJEE N#CC1(Cc2ccc(I)c(Br)c2)Cc2ccccc2C1 2377396851 NHTUNILQJUWFPU-UHFFFAOYSA-N 438.106 4.905 30 10 IJEE C=C(C)COc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696965 PJPIKHGKUYJXTI-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(Br)cc2)nc2c(C)cccc12 12240374 WCLRGQGAJKPZPM-UHFFFAOYSA-N 446.308 4.924 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1OC 33348185 BMIFDDVVNYWBCO-XDHOZWIPSA-N 439.895 4.791 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)c1 33408510 RTVBEGOGWFVXCW-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccccc3OC)C2=O)cc1OC 33448432 BQYDFPOOMRSWQY-LDADJPATSA-N 429.881 4.610 30 10 IJEE C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)SC1=S 35446282 IJCIMBSFTVUPCM-ZHZULCJRSA-N 433.558 4.935 30 10 IJEE Cc1c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cc3ccccc3oc2=O)cnn1C 96854174 VZHCDFGEWPOOQM-SEYXRHQNSA-N 436.471 4.584 30 10 IJEE Cc1cc(C)c(S(=O)(=O)/N=C2\C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)c(C)c1 103746638 GEVFFJYEEPSENG-HPNDGRJYSA-N 446.528 4.688 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1ccncc1 169921078 HKYMIIBGRCTCOQ-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169936174 UEEYVVBAPKPCGY-XMMPIXPASA-N 438.483 4.967 30 10 IJEE COC(=O)c1sc(N/N=C\c2cc(Cl)c(OC)c(OC)c2)nc1-c1ccccc1 169942389 HDWSMSKZNOHKCK-JJFYIABZSA-N 431.901 4.713 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1 170121420 SKSKBKNNBGQELH-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccn2)cc1C(C)C 170171309 WPWSPHRLTAEORL-QHCPKHFHSA-N 444.487 4.702 30 10 IJEE COc1cc(/C=C\C(=O)NCc2cccc(COc3ccccc3)c2)ccc1OCC#N 209298077 WCVGNDOJCTVGGT-QBFSEMIESA-N 428.488 4.506 30 10 IJEE CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2)C1=O 229649511 GTRWYNLHVZBXDV-PTHMFHIQSA-N 425.554 4.728 30 10 IJEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Br)c(C)c2F)c1C 447508363 BTUPHYQTXDKWMF-UHFFFAOYSA-N 427.277 4.823 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC 463731462 XLRQVVUNEYDPKW-UHFFFAOYSA-N 438.524 4.537 30 10 IJEE CC(C)(C#N)CNC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 512788937 UJNHVJOCYPUNFZ-IBGZPJMESA-N 444.535 4.510 30 10 IJEE CCOCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C)(C#N)CC1 521407317 HOFOWMVTTNAUAJ-UHFFFAOYSA-N 449.555 4.674 30 10 IJEE N#Cc1cc(NC(=O)C(=O)NCCCC2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 524763796 RAXOJGSQRCUEEX-UHFFFAOYSA-N 431.414 4.614 30 10 IJEE N#Cc1ccccc1N1C(=O)C(O)=C(c2ccc(Cl)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 526606722 NUJDTIVAIJGGJQ-OAQYLSRUSA-N 447.834 4.883 30 10 IJEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 526660772 ZQUBJNJVIODLCZ-UHFFFAOYSA-N 429.476 4.995 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(OC)c(OC)cc1OC 526818746 YOFFKYHCKCNRBA-CFRMEGHHSA-N 440.569 4.658 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1 544217815 BNWHSWSHWZRQHF-HNNXBMFYSA-N 434.359 4.795 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 559024233 DMFHYAUHAJQSNU-WZONZLPQSA-N 434.540 4.505 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@H](OC(F)F)C1 581640962 QTBCBCQGLKKQOE-UZLBHIALSA-N 428.483 4.965 30 10 IJEE CN(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)cc1 586225833 LNVUSKWWXJQATG-UHFFFAOYSA-N 425.941 4.673 30 10 IJEE Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)NCc2ccc(C#N)cc2F)n1 609253828 YBDFQSQAERPZFG-UHFFFAOYSA-N 431.393 4.840 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1cccc(Br)c1[N+](=O)[O-])C2 712803264 ACEWKGJETUZLCB-STQMWFEESA-N 436.306 4.681 30 10 IJEE C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1cccc(N2CCOC2=O)c1 740037719 FHNLJSZHRZJCIO-MRXNPFEDSA-N 446.532 4.804 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)[n+]2ccc3c(c2)CCCC3)cc1 762439714 HCMIUJWAAMICBY-HARLFGEKSA-O 430.597 4.714 30 10 IJEE C#C[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C 774258305 TZXKXBGILKBGFB-AVRDEDQJSA-N 449.576 4.766 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1cccc(C(F)(F)F)c1)[n+]1cccc(O)c1 783693809 GQBRYENRXYQGIN-UHFFFAOYSA-O 442.442 4.893 30 10 IJEE COc1ccc(N=c2scc(-c3ccc(NC(C)=O)cc3)n2CC2(CC#N)CC2)cn1 797422799 CLUASFPQYLGBHR-UHFFFAOYSA-N 433.537 4.505 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(C#N)cc1C(F)(F)F 811672533 CPKZEXUMGONUPE-SFHVURJKSA-N 435.858 4.750 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2CCC(=O)N(CC3CCC3)C2)no1 856546386 OKMUVJQGLHAIGA-OAHLLOKOSA-N 435.446 4.826 30 10 IJEE COc1ccc2cc(/C=C\C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)ccc2c1 857627100 GHVNHOOUEPMKFY-QARUFBMTSA-N 446.528 4.854 30 10 IJEE COc1ccc(-c2cc(C(F)(F)F)nc(NN=Cc3ccc(F)s3)n2)cc1OC 1081014314 CHVJPRLCPYMPLU-UHFFFAOYSA-N 426.395 4.826 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1ccccc1OC 1084472160 GEPJESOXCXAUMY-SFHVURJKSA-N 431.945 4.637 30 10 IJEE COC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c(N(C)C)c1 1127927628 AIYIHZGNEAZLLO-UHFFFAOYSA-N 433.439 4.595 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C(C)(C)C)cc1 1128252709 XQXNKTJASRRNMN-UHFFFAOYSA-N 448.523 4.845 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)s1 1128933958 LMQZFCGETIPJGI-DOMZBBRYSA-N 425.834 4.881 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)c1ccccc1 1132949003 PMSVCUMOWBXYRY-RTWAWAEBSA-N 429.358 4.840 30 10 IJEE C=CCn1c(SCC(=O)Nc2cnc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1 1134333756 KVSLQJAZCIUQIE-UHFFFAOYSA-N 438.315 4.703 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 1138322666 QNLPQHQMKURFHO-GOSISDBHSA-N 441.494 4.753 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1147166423 PZWOCKAHDCXZQP-WIYYLYMNSA-N 442.581 4.669 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 1148211163 UAJOIZIGCNQXQP-KRWDZBQOSA-N 438.952 4.545 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)C(=O)OC 1155475193 MMFPZYKEZRQJCI-GOSISDBHSA-N 437.471 4.534 30 10 IJEE C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1160210053 CFLQDOSNXDDJBZ-DVECYGJZSA-N 428.573 4.998 30 10 IJEE C=CCn1c(SCc2nnc(-c3cccc(O)c3)o2)nnc1-c1cccc(Cl)c1 1165889218 LWUURPSTPWXNLQ-UHFFFAOYSA-N 425.901 4.832 30 10 IJEE C=CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)Cc1cccc(C#N)c1 1190643912 QMCQTMDICIEKOK-RUZDIDTESA-N 438.531 4.826 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1[C@H]2CC[C@H]1c1cnc(CC)nc1C2 1206202518 FKHRUHXYZHVHIQ-KSSFIOAISA-N 443.345 4.660 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCN(c2ccccc2F)C1 1206203556 SCZRSOCRWUXOLM-OAHLLOKOSA-N 448.336 4.801 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1c1ccccc1Br)C(C)C 1220597383 BUGLZCPCKVQGFE-SFTDATJTSA-N 434.422 4.994 30 10 IJEE COc1ccc([C@H](NC(=O)NCCc2ccc(C#N)cc2)c2ccccc2Cl)c(OC)c1 1222480175 FMJZZHLJZVTJHH-XMMPIXPASA-N 449.938 4.860 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCCC[C@@H]2C1 1256706037 PXYKIHDCXSHZGW-WOJBJXKFSA-N 429.609 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCCC[C@@H]1C 1286281592 IJZOWTGYGUEKPM-MSOLQXFVSA-N 431.987 4.850 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1286283740 UMTYSMPTEQULNU-HARLFGEKSA-N 449.986 4.928 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C[C@@H](C)CC 1286347048 GMWHGHLCHHUYQM-VQTJNVASSA-N 431.625 4.678 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(C)C)CC1 1286499981 MSZDOLBHYKYHHF-UHFFFAOYSA-N 434.613 4.574 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1nnc(C)s1 1286570175 OQMMAIHTAYHFJM-UHFFFAOYSA-N 433.585 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CCCCn1cc(Br)cn1 1286570996 KRZLXEMSWSPGEY-UHFFFAOYSA-N 443.393 4.787 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1286588789 YHGUPRKFDDYZRE-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(OCCC)c2)CC1 1286662699 VURZOWFQWCLJJP-UHFFFAOYSA-N 431.584 4.698 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1286666702 DJBQIBSWQDGIHD-OALUTQOASA-N 429.584 4.690 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCCO1 1286685960 YHBUCUDIMVGDKH-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1286693199 VSXLTCDHNLXEHK-MJGOQNOKSA-N 426.561 4.706 30 10 IJEE C=CCCCn1c(COCC)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 1286705424 ALMQOCMNFFUPJN-UHFFFAOYSA-N 429.615 4.837 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@H](C)N1CCCCC1 1286719241 ZALWIYGHKVEYEC-HNNXBMFYSA-N 438.439 4.656 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1c(C)noc1C)C1CC1 1286735090 NHPAVXUENIEOKE-UHFFFAOYSA-N 442.361 4.824 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1CCc1nc(C)c(C)s1 1286742032 UFDDADJQMOULPE-UHFFFAOYSA-N 434.613 4.857 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1=CCCCC1 1286755762 BLUAYFSMCWRWJH-UHFFFAOYSA-N 444.583 4.744 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CCOC)Cc1ccco1 1286769919 CXUJYCBMPHJAPX-UHFFFAOYSA-N 431.540 4.785 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)CC 1286837360 VZSNZZYUEAEGAX-ROUUACIJSA-N 437.654 4.752 30 10 IJEE N#Cc1ccc(CSCC(=O)Nc2ccc(Br)cc2OC(F)F)cc1 1289652387 DFXAXCCMMGWQAN-UHFFFAOYSA-N 427.270 4.794 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1300353314 SXCVHESIYZMMGC-UHFFFAOYSA-N 448.489 4.855 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](c1cccnc1)C(C)C 1300441455 OUDWBAJELYMSRS-MRXNPFEDSA-N 444.402 4.673 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)ccc1F 1300517100 XPJHFXLLGFMHCJ-MRXNPFEDSA-N 436.531 4.531 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccc(C)cc1 1300642876 WQDGKFZRWOVBBC-FGZHOGPDSA-N 440.657 4.898 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(N2CCCCC2)c1 1300906297 MOQMQKIAZOSNHP-UHFFFAOYSA-N 446.599 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CC(C)(C)N1CCC[C@@H](C)C1 1300906934 AEGHOVWZBFJELR-HXUWFJFHSA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC[C@H]1CCOc2ccccc21 1300918929 MUTNWGAANBQPQW-IBGZPJMESA-N 437.613 4.993 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC2CCCCC2)CC1 1300963646 GOIPKYBJSQHMCM-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1301123772 DWZCRSNWVMOFCC-UHFFFAOYSA-N 437.510 4.654 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCn2ccnc2C)CC1 1301135878 VEUSDYTUMLGFDZ-UHFFFAOYSA-N 443.020 4.831 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1301208159 PDAFCAHLNVDXGO-UHFFFAOYSA-N 441.988 4.589 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(Cc2cccs2)CC1 1301232131 UVSCTNWRARUHTH-UHFFFAOYSA-N 437.613 4.515 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(C(F)(F)F)c1 1301273871 XVZSTYXTUSGYBU-AWEZNQCLSA-N 435.425 4.642 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1301294962 DBXFQXRPWLWPKJ-IBGZPJMESA-N 427.549 4.537 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1301313729 GHZMNRIHARGJNZ-PMACEKPBSA-N 441.595 4.832 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1301531601 RHLXRHYTOANLQT-QHAWAJNXSA-N 442.629 4.506 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1301618212 MWSKFRREJRTUEA-APWZRJJASA-N 429.461 4.950 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)c(I)c2)cc1 1311219752 NHAAJVPTJRKNEA-UHFFFAOYSA-N 444.194 4.613 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1312382339 SIXAMNFCAMHBNE-KRWDZBQOSA-N 434.367 4.979 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(-c3ccccc3OC)n(-c3ccc(C)cc3)c2=S)C1 1320307620 ADGFVGXNJRKZQI-HXUWFJFHSA-N 436.581 4.622 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(-c2cccc(Cl)c2)no1 1351585850 JAOLMYMJTWYWIQ-UHFFFAOYSA-N 427.840 4.738 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c1 1358017842 HJKRKOBHXJJWTB-UHFFFAOYSA-N 429.347 4.932 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CC(C)C)CC1 1358943834 XLTVQTPUSOFZOB-UHFFFAOYSA-N 431.378 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1=CCCCC1 1358989045 NIRUBDMJYBJASP-UHFFFAOYSA-N 432.568 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCC1(F)F 1359072828 RZZPLMAAJAPEQZ-HYBUGGRVSA-N 442.554 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1359116391 JLGIDGUCAKIYHG-NBGIEHNGSA-N 443.611 4.909 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359119224 COYUBRAYEJYZTN-MRXNPFEDSA-N 436.387 4.713 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(CCOC)CCC2)CC1 1359176069 LAMJOSWKJBWBDR-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCc2nccs2)CC1 1359176720 LQLBTHRMUDUODN-UHFFFAOYSA-N 444.402 4.809 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCC2CCOCC2)CC1 1359180784 SPHGLXRSCWTIJB-UHFFFAOYSA-N 438.616 4.681 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ncc(Cl)n1C 1359200619 LRNORSXACUWKAP-UHFFFAOYSA-N 435.963 4.873 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359224915 HBWRTNJFSDDBRE-OAHLLOKOSA-N 428.886 4.970 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN1C[C@@H](C)C[C@H](C)C1 1359234939 HDZPWDKJIPFGTO-ROUUACIJSA-N 432.012 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359272899 GRPVSJPSNHJVPN-OYRHEFFESA-N 439.623 4.943 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1Cc1ncccc1C 1359275826 HVOZJMSBIISGAM-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCC1(F)F 1359281985 OKWMPTJEVHQPQD-SFHVURJKSA-N 438.950 4.987 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(CC)Cc2cccs2)cc1 1359307479 LSSJUBHQXSGJBK-UHFFFAOYSA-N 433.581 4.985 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2c[nH]c3ccc(F)cc23)C1 1359321549 HUOIMGRQXKEHHT-LJQANCHMSA-N 425.552 4.511 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359345060 RHFQGCPPPHUAKW-HSZRJFAPSA-N 445.721 4.878 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(c3ccc(OC)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1361137455 BVOMINVEKAEHTR-RUZDIDTESA-N 428.573 4.747 30 10 IJEE C=CCCC[C@H](C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1436082883 NAEWBBQASFQTNK-SFTDATJTSA-N 441.369 4.811 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)cc1OC 1437876654 NSJSBJSSNNXDHP-OSVJCPFSSA-N 449.547 4.741 30 10 IJEE CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1C 1440100003 CQQJSFPPQYWLPL-ZVVFGRKBSA-N 434.536 4.576 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)CC#N 1443566889 CUAZXIRBOUPOHV-MHECFPHRSA-N 431.536 4.620 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 1456150329 PKJLOEMAAFWBMZ-VXNXHJTFSA-N 439.600 4.683 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(CC2CCCCC2)s1 1457627036 DXGHMNXDTOVACO-CQSZACIVSA-N 428.986 4.635 30 10 IJEE N#Cc1cc(Br)ccc1Cn1c(-c2cccc(Oc3ccccc3)c2)noc1=O 1458943776 BOTBTDCVNRIYIZ-UHFFFAOYSA-N 448.276 4.978 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCCNC(=O)c2ccc(F)cc2)C(C)(C)C)cc1 1459191852 QLKHABRVHNPDQU-UHFFFAOYSA-N 426.532 4.728 30 10 IJEE CCO[C@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C12CCCCC2 1459573058 CHNCEHRGSCADFX-YADHBBJMSA-N 432.008 4.955 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)cnc1F 1460782193 YVIIGDIHMGVERS-UHFFFAOYSA-N 430.071 4.563 30 10 IJEE C=CCCn1cc(C(=O)O[C@@H](c2ccc(Br)cc2Cl)C(F)(F)F)nn1 1461412414 NWLJJOPIURYCPH-ZDUSSCGKSA-N 438.631 4.731 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2ccc([Si](C)(C)C)cc2)s1 1461647499 HYUUTHCTBIAFFO-UHFFFAOYSA-N 439.122 4.743 30 10 IJEE C#CCC1(O)CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)CC1 1462528490 DYZABBIOWODMQP-UHFFFAOYSA-N 431.433 4.509 30 10 IJEE O=S(=O)(NC1(c2ccc(F)cc2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1463260841 BWMDRANPSQJBAM-UHFFFAOYSA-N 427.341 4.831 30 10 IJEE C=CCOc1cccc(NC(=O)N2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 1465382935 XILBTBHUTACYJB-UUOWRZLLSA-N 429.561 4.800 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1467563977 RMQRZGYTGOGJSN-MRXNPFEDSA-N 426.460 4.591 30 10 IJEE C=CCc1cc(CNC2CCN(Cc3c(F)cccc3Cl)CC2)cc(OC)c1OC 1473990236 LBPGDJAYDVTVRM-UHFFFAOYSA-N 432.967 4.979 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1477862615 OTBBJWGUPUKXSG-JOCHJYFZSA-N 429.967 4.884 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1478244968 CKFNHDZIVKFBRO-DHIUTWEWSA-N 439.600 4.820 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)C1 1499486745 DDVMFTIEVWJXLE-BHIFYINESA-N 434.632 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncccc1C 1507516416 KYJBQUXDTXWTIY-RBUKOAKNSA-N 437.975 4.898 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCOC(C)(C)C 1507795236 KIJWTVFDQFPTPE-OFNKIYASSA-N 449.599 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1C 1507803566 HSLRQUVZHKLYPY-WATLYSKOSA-N 431.584 4.751 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507846357 JIIJRDFSSIFUGT-UHFFFAOYSA-N 449.983 4.655 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(C)(F)F)cc2)CC1 1507895157 UKNXCOGQSAUVGH-UHFFFAOYSA-N 445.558 4.759 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2c(c1)OCO2 1507911085 IIQWDKDYTUJWHM-UHFFFAOYSA-N 439.947 4.961 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507942921 UXOPCOYXEZXNGU-UHFFFAOYSA-N 446.599 4.546 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1507960564 ZWBGQTLYBHNSPN-OAQYLSRUSA-N 448.596 4.558 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)N(C)C1CCCCC1)C1CC1 1507988959 UJHQOQBRONDDKR-UHFFFAOYSA-N 427.980 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)SC 1508015203 NDXYZUXAQUAAMA-CQSZACIVSA-N 437.407 4.646 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@H]1C 1508026392 UREHOKPGXMILFA-CJFMBICVSA-N 436.625 4.717 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1512171132 BDPJYFVIMMBQNG-NZQKXSOJSA-N 434.632 4.952 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1)c1ccccc1 1518872969 HRHCTEFIULYIHK-HSZRJFAPSA-N 433.529 4.566 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1520345422 JXHCLDDHVLTTAO-JQIJEIRASA-N 430.426 4.930 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)CCCN1C(=O)OC(C)(C)C 1521360401 BAWCJUHSEFFMQD-QHCPKHFHSA-N 442.585 4.722 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccnc1Cl)c1ccc2c(c1)OCCO2 1522213430 ZZBYRCNPGFLQKU-UHFFFAOYSA-N 436.895 4.918 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Br 1523655468 BMRQVFJQBFJQMX-UHFFFAOYSA-N 430.327 4.540 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C(C)(C)CNC(=O)OC(C)(C)C 1524983145 FGYQZWRZEXHYRN-UHFFFAOYSA-N 427.339 4.503 30 10 IJEE CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1525640697 CMCSBVLFZQAUAN-UHFFFAOYSA-N 440.499 4.907 30 10 IJEE COc1ccc(CCNC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)cc1OC(F)F 1527573276 AFSCSPQMEHJPAX-UHFFFAOYSA-N 425.300 4.566 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(F)cc1 1528461778 KAKZVFZOSOFHES-LJQANCHMSA-N 425.257 4.880 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc([Si](C)(C)C)cc1 1529485561 JRYZIFUYGMWWMY-UHFFFAOYSA-N 434.425 4.891 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)C1 1529816066 WCUMDLKMNJLVDF-QGZVFWFLSA-N 432.973 4.593 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)cc1OC 1530893786 OQJOGGJXXWYPDX-JARZOMNASA-N 435.442 4.796 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1532845788 QFKUULVOZJNNCQ-UHFFFAOYSA-N 448.588 4.795 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(CN3CCCC3)ccc2C)CCCN1C(=O)OC(C)(C)C 1533417485 BZRUQBGAGAJEPC-RUZDIDTESA-N 427.589 4.875 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)C(=O)OCC 1537003575 IWLONEQGIMSMJX-LJQANCHMSA-N 446.341 4.656 30 10 IJEE C=CCCOCCCCC(=O)N(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1538032943 IMQBLZCPGBCAAX-UHFFFAOYSA-N 436.515 4.540 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)n1 1538917742 QYMVFBJGYIEXSP-QJOMJCCJSA-N 435.474 4.707 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1539133968 NWIUKQLJROYNKG-UHFFFAOYSA-N 443.636 4.508 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCc1sc(C)nc1C 1539391392 CKAPAAHNWZSNAM-UHFFFAOYSA-N 439.604 4.962 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](SC)C1 1539634764 CWQCQVSLHSBUTP-NWSQWKLXSA-N 444.620 4.711 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C(C)C 1540134075 RSLMOSMXBPBMQT-DHIUTWEWSA-N 439.648 4.730 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1CC1CC(F)(F)C1 1540186982 KCFLYFDZDSRPFL-UHFFFAOYSA-N 433.528 4.507 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1540861563 WUHDNSRAQHMHPR-WOJBJXKFSA-N 427.549 4.706 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC(F)(F)F)C1 1540883872 GFPMVRWYKPCALO-CVEARBPZSA-N 442.457 4.681 30 10 IJEE C=CCSCCn1c(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)nnc1C(C)(C)C 1540922519 QATJLTLSXVUKCS-QGZVFWFLSA-N 443.617 4.649 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 1543040169 ZFOWEFQNXWSLOS-IEBWSBKVSA-N 432.973 4.914 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1561744912 CQUUXAFQEAQPNV-BBRMVZONSA-N 441.416 4.986 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)c(F)cc1C 1561960030 PGOOSHXFXXHZLR-LJQANCHMSA-N 436.346 4.598 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1csc(-c2ccccc2)n1 1566380816 XNWKUWWWPJXRCI-KRWDZBQOSA-N 435.977 4.505 30 10 IJEE C=CC1(CC(=O)Nc2cccc(CSC3CCOCC3)c2)CN(C(=O)OC(C)(C)C)C1 1585807343 FKVIVKSFLAXBOG-UHFFFAOYSA-N 446.613 4.851 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1587621542 WRNVYSHPDNODDN-HBMCJLEFSA-N 432.616 4.642 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cn(CCCCC)nc1C 1587921724 HIANVORSTHGZLY-UHFFFAOYSA-N 441.583 4.615 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1587926972 NXEUPQRNTCFJRI-SJORKVTESA-N 428.462 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)[C@@H](C)CC 1589150729 JTWQBUZKJULJCR-PMASJOIYSA-N 445.007 4.861 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1 1589171458 GXCMSYPIOQFZGE-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1c(C)nn(-c2ccccc2)c1C 1589216331 MHKDABKMCIVPSI-AREMUKBSSA-N 430.600 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1589503159 BSHIRVDYTYJEDW-KPFFTGBYSA-N 430.980 4.583 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1594071091 ZGFFJZOKAIHMNC-WMZHIEFXSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1594455556 RNDVZJAIEAMXCP-DXIQSLLYSA-N 442.604 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1594491673 HTUHZIDUWCHTCM-IRXDYDNUSA-N 445.633 4.719 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1cccs1 1595093563 FYEOLKCUVYPWQM-VWLOTQADSA-N 447.608 4.969 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1cc(F)cc(OC)c1 1595156385 KNCILYZYUPNQAD-SFHVURJKSA-N 442.560 4.622 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)c2nccs2)C1 1595699397 CYVPTDXBJLRGCX-ZBFHGGJFSA-N 447.967 4.779 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=C)Br)C1 1595754042 KQKDTLQFSHNUIG-QGZVFWFLSA-N 449.418 4.569 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1606951511 FTHMRLDZORIAEA-LJQANCHMSA-N 432.613 4.567 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1nc2c(s1)C[C@@H](C)CC2 1607672784 BSKAACSVXVJMHO-BBRMVZONSA-N 442.025 4.652 30 10 IJEE C#CCC1(C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)CCCCC1 1610410872 JIZYEMWKNFARRT-UHFFFAOYSA-N 433.293 4.594 30 10 IJEE CC(C)(Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 1611766950 FEBZVTRLQJFYAL-GBXCKJPGSA-N 425.552 4.767 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(C3CCC3)n2Cc2cccc(COCC(F)(F)F)c2)C1 1611767059 GNXHHMXRRNZGSP-QFIPXVFZSA-N 447.505 4.803 30 10 IJEE C=CCn1c(Sc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])nnc1-c1ccccc1C 1612096513 UFKDLGUCRVIHFN-BENRWUELSA-N 436.493 4.685 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nc2ccccc2c1=O 1613241339 ZQKIZBCBSMUEJZ-QZTJIDSGSA-N 447.604 4.819 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 1622907430 JRDPUJUNZMLXPE-JOCHJYFZSA-N 433.895 4.854 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(c3ccc(OCC)cc3)CC2(Cl)Cl)cc1 1629309885 CYAPUOLKGKZXSW-OAQYLSRUSA-N 448.350 4.847 30 10 IJEE CC(C)CCOc1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 1635679449 CHCAYCABDVWMRX-HSZRJFAPSA-N 425.960 4.788 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@H]2CCCN(CC(F)(F)F)C2)cc1 1636572180 CQIIPOJJOCZTMY-MRXNPFEDSA-N 433.499 4.714 30 10 IJEE C=CC[C@]1(C(=O)NOCc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1636968127 FGLUAPONCYVABB-HXUWFJFHSA-N 428.451 4.599 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)cc1OC 1640017022 NQPKETDHSSHLOZ-QGZVFWFLSA-N 434.355 4.740 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)C1 1640186438 JQFYCKKPVHPNLU-HXUWFJFHSA-N 444.556 4.640 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1cccc(OC)c1 1643757734 QIZRYKGXSXFYKK-HXUWFJFHSA-N 441.528 4.545 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cscc1Br 1644654833 KTVQQPWUOUJUPG-OAHLLOKOSA-N 431.396 4.719 30 10 IJEE C#CCN(C(=O)[C@H](C)Sc1ccccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1645454369 GUQCJVHSZIEZLB-INIZCTEOSA-N 437.005 4.682 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1OC 1648199020 QJGYPYDUHQEQMU-KCWNLEDOSA-N 446.591 4.644 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1649400785 DDCXDHGVXLTRGH-HXUWFJFHSA-N 441.572 4.590 30 10 IJEE COc1ccc(C#N)cc1CN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 1654553728 ADVMMLZEWWMBAC-AREMUKBSSA-N 426.564 4.629 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)c1ccccc1 1654690332 QRKFHWVBWWACPF-QGZVFWFLSA-N 428.337 4.766 30 10 IJEE C=CC[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(Cl)cc1)C(=O)OC 1655981913 NOQRILRPJREAGW-HNNXBMFYSA-N 434.970 4.927 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1OC 1658217562 KMOIOCCPIMDAMX-PKOBYXMFSA-N 436.980 4.745 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2c(CCCC)oc3ccccc23)c1 1659304810 WYMAJHAIEFCDPQ-UHFFFAOYSA-N 440.565 4.512 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 1667628195 DOTYYSCSBKBBFE-IBGZPJMESA-N 430.524 4.587 30 10 IJEE C=CCCC1(CNC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CCCC1 1668101079 JMLMCULZMJKUAR-HXUWFJFHSA-N 430.612 4.854 30 10 IJEE C#CCOc1cccc(NC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1 1669079521 SUWKWYRIGXFYCS-UHFFFAOYSA-N 432.351 4.792 30 10 IJEE CCCc1c(NC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cnn1-c1cccc(C#N)c1 1670352045 HDCXXEKRTFDDTB-FQEVSTJZSA-N 442.567 4.607 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CC)[C@@H](O)c1ccccc1F 1672708170 FYXCVEGRHHVPLW-LPHOPBHVSA-N 437.309 4.787 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 1673294750 MCRVWRVOMFLQKD-IBGZPJMESA-N 425.495 4.805 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 1674364696 WEAIBYCTCBNZKP-HMXCVIKNSA-N 435.572 4.686 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 1675444949 FTNCZBSXWHHFHG-SGNDLWITSA-N 436.987 4.958 30 10 IJEE Cc1cccc(COc2ccc([C@H](C)NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc2)c1 1678179884 CZACYHKBOOJLIJ-FQEVSTJZSA-N 441.531 4.980 30 10 IJEE Cc1cc(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C#N)cc1N(C)C 1678199308 HCKPTWRZRHQCPI-STQMWFEESA-N 436.400 4.964 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCN(C2CC2)CC1 1690085624 DNFXQVSZHKIJGC-UHFFFAOYSA-N 444.048 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H](CCC)OC 1690196731 VUHBUTVTLZODDP-GHTZIAJQSA-N 431.378 4.515 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1690224074 AHGQTFAAPSOLGL-WMLDXEAASA-N 442.188 4.874 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(F)(F)CC1 1690251719 YGYGPYMIQZWDRJ-SIKLNZKXSA-N 446.542 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(C)C)C1 1690253054 MCXIXFPKCXZUTN-REHUZNOOSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCCC1(C)C 1690271526 SJTDYXCHPUCSGX-RUZDIDTESA-N 426.605 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690434871 JXJJRFNKKHUGTF-PWRODBHTSA-N 429.008 4.843 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690465686 JLRFQZHJNQNQKH-VWLOTQADSA-N 426.605 4.875 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1Cc1snnc1C 1690576255 SRNWVOYTLAGVQS-UHFFFAOYSA-N 436.610 4.970 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN1CC 1690576340 WSJQZDQLTNQRPI-IBGZPJMESA-N 425.602 4.975 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C)CCCC2)C1 1690686764 TXHNABLSXKWKCW-NQIIRXRSSA-N 428.552 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](SC)C(C)(C)C)C1 1690709431 HGEISCZPJXHFKX-SFTDATJTSA-N 428.646 4.622 30 10 IJEE CC[C@H](C)NC(=O)c1cccc(Cn2c(C3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)c1 1694210900 DTPNRODGIGWSHK-AFMDSPMNSA-N 448.615 4.642 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(Cl)s1 1705483641 ZECPDARKDDIXJU-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1705608607 XTJIEEKTXLFNKM-KDURUIRLSA-N 446.014 4.955 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCCC1(F)F 1705609807 RKIOGZHAAYNFCB-SFHVURJKSA-N 432.515 4.637 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCCCCC[C@H]21 1705733105 ILQKDXAGRXLCPO-DENIHFKCSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cn(CCCC)nc2C)CC1 1705778237 OURIIRQTHZOLJX-UHFFFAOYSA-N 434.588 4.709 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705801782 RHCCHCCSICMWPM-QGZVFWFLSA-N 448.409 4.523 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1705803811 DWJIBMAUHSXVHX-UHFFFAOYSA-N 431.540 4.501 30 10 IJEE CC1(Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1706958813 DHLTZICZQAGGBB-HXUWFJFHSA-N 432.341 4.730 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)CC(C)(C)C2)n1 1707838891 DIFBYMBFPLYASD-GOSISDBHSA-N 431.588 4.593 30 10 IJEE C[C@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C#N)cc2)(N(C)C)C1 1708026654 BDGBCBWQRYCFMH-RXFWQSSRSA-N 436.648 4.885 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1722309257 WGJJBTJEOMYBKZ-PXNSSMCTSA-N 432.515 4.774 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(C)=C(Br)C1 1722316383 BUKJDJNMIUUVFD-UHFFFAOYSA-N 427.390 4.860 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN(C)C(C)C 1722471606 KOEYRBUMWDNOCQ-HHHXNRCGSA-N 442.611 4.529 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CC(F)(F)C1(OC)CCOCC1 1722656007 OQSTVBSDJFQIGA-UHFFFAOYSA-N 448.558 4.599 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCc2sccc2C1 1722742723 DZKNETDZPRKSMV-UHFFFAOYSA-N 426.611 4.709 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F)c1cccnc1 1723109109 COWRTGDCXHKVJB-LJQANCHMSA-N 428.462 4.650 30 10 IJEE CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728007267 TVQLEGFEJYEILS-NRFANRHFSA-N 430.556 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nc(C(C)C)cs1 1740548420 GIWMCPHJUQJRLB-INIZCTEOSA-N 432.553 4.686 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740567135 HHGPUONOQZOAMZ-VQTJNVASSA-N 443.389 4.659 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740672464 HKMYMGHSFAUCHY-IFMALSPDSA-N 438.616 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1c(C)noc1C 1740769503 NOYOOXJAHRKDNC-UHFFFAOYSA-N 430.350 4.763 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740817168 WBXDZRGKTVZYCR-OKZBNKHCSA-N 438.016 4.674 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCCC2)CC1 1740833894 ZBIPAPBZXUIWDE-QGZVFWFLSA-N 430.980 4.779 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1740864587 BYPCIZVJIXMQCY-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)N(C)C1CC1)C1CC1 1740907183 QUFMNKIAUWXKPZ-MRXNPFEDSA-N 444.421 4.654 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](CC)OC)C1CC1 1740907875 BKWHNNXCZAJBPW-HNNXBMFYSA-N 439.785 4.941 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](CC)OC)C1CC1 1740907876 BKWHNNXCZAJBPW-OAHLLOKOSA-N 439.785 4.941 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CCOC)CCCC1)C1CC1 1740913838 UYXDFSLPQXXAJK-NHCUHLMSSA-N 430.637 4.948 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1740923353 JZVGCHMTPWLAKU-QFIPXVFZSA-N 431.675 4.627 30 10 IJEE CC(C)(CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1741247277 FYIOTWKQZCHHOV-JOCHJYFZSA-N 433.478 4.815 30 10 IJEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1)c1cccnc1 1741319433 BWDLMPKBWAGDJK-JXALWOEJSA-N 444.583 4.656 30 10 IJEE Cc1ncsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1742055796 AKMMADFHTDGEQH-UHFFFAOYSA-N 441.004 4.660 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](SC)C(C)(C)C)C1 1747258661 HSYBOHDZGLWUDX-PZJWPPBQSA-N 441.645 4.847 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1OCCCC 1748655439 XYDDHXMBGQCWFZ-MRXNPFEDSA-N 441.938 4.818 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C(C)C)N1CCCC1 1748907977 QAFFODYQWNHGBC-SIKLNZKXSA-N 444.023 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC=C(Br)C1 1749124779 PEEIJWKQMCTHBO-XLIONFOSSA-N 443.389 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1749132900 FNHPRKAEELYBBR-KNQAVFIVSA-N 426.948 4.733 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCC1(F)F 1749148905 KEYIPDWMVBAAQN-GOSISDBHSA-N 432.515 4.944 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1749311332 MJWDSRNNKLWVND-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1749358499 AVTAGPKYFJZWOZ-FQEVSTJZSA-N 437.632 4.926 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1749395841 QCNWPSHSYXAXJO-JOCHJYFZSA-N 430.600 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1CCOC1 1749560738 ABIDKXQCGJOBSP-QFIPXVFZSA-N 431.584 4.958 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCC[C@H]1CC 1749582399 LXBVAZXEZWEJKJ-YPAWHYETSA-N 429.653 4.640 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCO[C@@H]1CCCC[C@@H]1C 1750062401 GJWLSJMXDABBDS-SELNLUPBSA-N 447.587 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCN1CC 1760098548 UDQDKGWDQPYNIQ-ZVDOUQERSA-N 444.023 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOCC)CCC1 1760103967 PEQWJDJLBKQNMX-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1(COC)CCC1 1760290173 YCUCZQHNPHYSNN-YADARESESA-N 440.563 4.756 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CCn1cccn1 1760341538 HQGAZMZQAPTTQD-GOSISDBHSA-N 428.968 4.597 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760379097 IIBQSYMQVZLQTL-APWZRJJASA-N 441.790 4.672 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(O)(CCC)CCC)CC1 1760392687 ZGNMHAMIBIXFPA-UHFFFAOYSA-N 426.605 4.962 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCCCC2)CC1 1760398992 VDHFWRJYWIQFJN-UHFFFAOYSA-N 430.980 4.705 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC2(CCOCC2)C1 1760422117 IKXLYLKITJZDJC-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1760436017 DXYOERBBHQQHFR-HXUWFJFHSA-N 447.587 4.586 30 10 IJEE C=CCN(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(N2CCCCCC2)nc1 1760467464 JSRNIHJVBKWUNT-UHFFFAOYSA-N 444.627 4.899 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@](C)(O)c1cccs1 1760478006 RIUFQKDWVTYNDM-DEOSSOPVSA-N 438.597 4.716 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)CC 1760482737 OQGOCSRYSJBBSH-OTPAQWSUSA-N 426.605 4.550 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCc1nnc(C)s1 1760485036 QQIXBZAVXFSURP-UHFFFAOYSA-N 426.565 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1760485796 QOPCCNYZEARBGO-AZUAARDMSA-N 433.581 4.886 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[C@@H]2CC)C1 1760537438 NXRHTCFWWKLROI-SESVDKBCSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(N2C[C@H](CC)O[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1760568419 IMWJHMLIHNLCRT-CTNGQTDRSA-N 426.630 4.671 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CC1(C)C 1761872169 GPELYQYJZNEZBC-SJLPKXTDSA-N 426.996 4.689 30 10 IJEE C[C@@H]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 1762790753 HKNRZRIMJKIMCW-IFMALSPDSA-N 434.632 4.811 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=NN=Cc2cccs2)N1Cc1ccco1 1772758260 ZCOLXRQOLVETJK-KLAVOZPOSA-N 438.490 4.756 30 10 IJEE O=C(Cc1sc(-c2cccs2)nc1-c1ccccc1)ON1C(=O)c2ccccc2C1=O 1772790645 FNWALGDZVUPAQI-UHFFFAOYSA-N 446.509 4.836 30 10 IJEE COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(Br)cc3)nc2c1 1858204895 ZLBIDLFRYVYUDL-UHFFFAOYSA-N 428.311 4.608 30 10 IJEE Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)c(C)c1 1858842636 TXNMJMYWENMTPD-GOSISDBHSA-N 443.507 4.929 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 1861889403 RJYMIKZGBBNSAO-LJQANCHMSA-N 436.943 4.592 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1C 1862379472 CGSSWUQEESAWNN-IBGZPJMESA-N 434.319 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccccc2Br)cc1C 1862409310 HURWWORAQNZRPX-IBGZPJMESA-N 442.309 4.507 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862435533 YAKAKCSXTTWIDJ-VBKZILBWSA-N 427.928 4.597 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCCC2)c1 1862557497 LYFIIYZPCZHIPY-QHCPKHFHSA-N 434.536 4.969 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC)cc1 1862645834 RMTIGAFPVAVDOX-NRFANRHFSA-N 427.472 4.611 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C(=O)O)c1 1862701596 IYVUXHTZJMDOSA-JOCHJYFZSA-N 449.503 4.695 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(F)c1 1862714682 FKROBYPOMDXYLP-QHCPKHFHSA-N 433.479 4.984 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)c(C(=O)O)c2)=C(c2cccc3ccccc23)C1=O 1863225646 DBXFTENANLBQFC-UHFFFAOYSA-N 432.863 4.569 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cccc(C#N)c2)sc(C(=O)OCc2ccccc2)c1C 1866100028 GZXORFFRIWJLQV-UHFFFAOYSA-N 448.500 4.714 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 1870139221 FLMLIAIJJDRYSW-UHFFFAOYSA-N 427.895 4.871 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)C(c1ccccc1)c1ccccc1 1870139402 OKZZDUVCJHPNQW-UHFFFAOYSA-N 431.858 4.702 30 10 IJEE C#CCOc1cn(CCC(C)C)c(CSc2nc3ccc(OC(F)F)cc3[nH]2)cc1=O 1870302020 CYTYXLANZGFQQU-UHFFFAOYSA-N 447.507 4.676 30 10 IJEE CC(C)OCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(F)cc1 1871254045 OWCURPBBEYNADO-UHFFFAOYSA-N 449.526 4.865 30 10 IJEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871388701 JDOVKYHKVWJRCC-QRVIBDJDSA-N 443.411 4.995 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c1 1871438876 WHQHYOWHHZCJTE-UUYOSTAYSA-N 431.444 4.733 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N(C)CCO)n1 1871585173 QKTRAFVDISZWCB-UHFFFAOYSA-N 428.625 4.581 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCC)cc2)=C(c2c(Cl)cccc2Cl)C1=O 1873289322 IAFPTILCVNZLQT-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE O=c1c(Br)c(N/N=C/c2ccccc2Cl)cnn1-c1cccc(Cl)c1 1873527410 XWTDWVFCTWVQGR-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N(CCO)CCCC)ncnc2n1CC(C)C 1873577129 IIXLJZFONIJCBX-UHFFFAOYSA-N 445.652 4.776 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccnc2)cc1 1874306039 CJQZMUKKOPINJO-JVWAILMASA-N 447.539 4.781 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c(O)c1 1874380100 WZOXZAXUCKFISL-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)ccc1O 1874447792 MJDSXSQYAKZCAP-NZYROCMPSA-N 442.516 4.548 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(C(C)C)cc1 1874468696 UMIKQLHYZQHKOT-FSJBWODESA-N 426.542 4.835 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874504992 LQIGLAOHUAIYJL-VULFUBBASA-N 446.580 4.942 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccccc1Cl 1874507147 NVIWKTGECUKNBC-WSDLNYQXSA-N 432.933 4.828 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874523855 KZADXOYDEYUARN-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874524283 GZCHBTXXWAQJEQ-FOKLQQMPSA-N 435.431 4.942 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874529719 XRTBCMOEVOBHHM-OPEKNORGSA-N 447.486 4.835 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccccc1F 1874594413 IUJQKPPNQGCJCA-ACCUITESSA-N 435.451 4.757 30 10 IJEE O=C(CCOc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875146952 MPNWNYLRGZDSGS-XYOKQWHBSA-N 430.456 4.728 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c2)c(OCC)c1 1875177353 HMBOPKFHMDWSFX-DHZHZOJOSA-N 443.452 4.612 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCN(CC)CC)ncnc2n1CCCC 1875215226 BGJCFVCYMMMLOL-UHFFFAOYSA-N 440.636 4.580 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)Cc1ccc(Br)cc1 1922059040 CWRPAWVZXYCHES-PKTZIBPZSA-N 432.402 4.884 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1944714915 CLXJXEMZSNMGHU-MOPGFXCFSA-N 431.533 4.728 30 10 IJEE C=C(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OC)cc1 1951602004 JEYMDKQGDJNXMM-DEOSSOPVSA-N 429.472 4.916 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCCC[C@@H]1C#N 1962933298 JGJSUDXIZXHRDL-XYHYBEPMSA-N 445.563 4.748 30 10 IJEE CCC#CC[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2005885939 OWKPEVGMAHJHIK-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE N#Cc1ccc([C@@H](OC(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CC3)C(N)=O)cc1 2065304402 YOICSXNYLHIDAQ-RUZDIDTESA-N 449.466 4.570 30 10 IJEE C#CCN1CC[C@@H](NC)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071343827 HQNZTTWJKBUJQP-LEAFIULHSA-N 426.560 4.813 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2110503403 JVBOXSUWFURNCU-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](Nc2cc(Br)c(C#N)cc2F)C1(C)C 2127901304 SUYFVSILRXYRHQ-MLGOLLRUSA-N 426.330 4.811 30 10 IJEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1ccc(C#N)c(Br)c1F 2174813268 UERFAZRPONAWDJ-OCCSQVGLSA-N 440.357 4.978 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2235729175 MQKMJRRNCDLGMR-ILZDJORESA-N 435.406 4.672 30 10 IJEE CC1(C)CC[C@@](O)(C#Cc2ccccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 2235739317 HGBUMNCKAQJECO-JTSKRJEESA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2255860526 DJDXYSRNXZAPBO-UHFFFAOYSA-N 430.354 4.522 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CN(C(=O)OC(C)(C)C)C12CCCCC2 2262205332 LCFVNRBYRJWSNW-VWLOTQADSA-N 445.556 4.553 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 2296012247 RQDPDDWHELXZBW-QHCPKHFHSA-N 426.428 4.777 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(CCF)CCCN1C(=O)OC(C)(C)C 2296305860 ZIVGSHGSVWVVGG-RXVVDRJESA-N 439.369 4.518 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C1CCC(CNC(=O)OC(C)(C)C)CC1 2296307232 RHRJXGLQXPZOIR-QLOJAFMTSA-N 435.406 4.720 30 10 IJEE CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccc(Br)cc2)C1=O 2297319964 BWFXEWBNIBFEFN-UHFFFAOYSA-N 426.266 4.749 30 10 IJEE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H]1C[C@H](S)C1 2300158663 WZOZXKMYXMQHHV-KBTIHESUSA-N 443.986 4.621 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCC2 2305317781 YDZFBSKMIZMBFL-RUZDIDTESA-N 428.573 4.842 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317353225 GDAJDHVVAUDFBN-BFRYPLHYSA-N 430.354 4.551 30 10 IJEE CCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O 2321839319 LEEUSLHPVFBNGA-ZDUSSCGKSA-N 431.282 4.704 30 10 IJEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC 2323081463 WFELTBOPCJLQTJ-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)cc1 2323299929 NPBSRTNPUVPRJX-UHFFFAOYSA-N 432.403 4.756 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2cc(OCC)c(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 2323544107 PREFJWALUSPXAI-UHFFFAOYSA-N 441.480 4.784 30 10 IJEE CCCNC(=O)COc1c(OC)cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 2324058917 VSNUSAADLIQKKM-UHFFFAOYSA-N 439.552 4.802 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)N[C@H](C)c3ccccc3)c2C)C1=O 2325019563 CLYLKYRLFBBKIU-GOSISDBHSA-N 443.499 4.876 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325571697 LRSKYTPTPVPQMU-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)c(OC)c1 2325761710 CTBNHLXADNSYPH-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccccc2OCC(C)C)o1 2326838604 GWKMRMUMWSHUTM-UHFFFAOYSA-N 442.541 4.566 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(O)c(O)c1 2327300204 LYIBUFNJZHBQEE-UHFFFAOYSA-N 426.542 4.578 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cccc(OC)c1O 2328567047 FJHYBOLTVSCSPD-UHFFFAOYSA-N 438.553 4.532 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(OC)c(O)c1 2328745037 JJSDBFCKVPNOST-UHFFFAOYSA-N 438.553 4.554 30 10 IJEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccnc1 2328746251 DMJGXKSRECJWGM-UHFFFAOYSA-N 447.539 4.998 30 10 IJEE COC(=O)c1ccc(OCCCON=C(c2ccc(Br)cc2)C2CC2)cc1 2330365899 OGFPAHNAGJWPLQ-UHFFFAOYSA-N 432.314 4.836 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COC)c(Br)c2)cc1 2331304987 BCKNDQJIQSPLMI-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccs1 2331373199 LHCDPQFPBCFIFH-UHFFFAOYSA-N 427.599 4.813 30 10 IJEE CCc1ccc(C=Nn2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)(C)C)cc1 2331393677 DTIMEGWDWOBPAN-UHFFFAOYSA-N 426.542 4.692 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc(F)c2)o1 2331512327 YLHNPSHJIZRFQR-UHFFFAOYSA-N 428.489 4.629 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)C)c1 2331687128 JISDCQPFXSWUAJ-UHFFFAOYSA-N 437.569 4.722 30 10 IJEE C=CCSc1nnc(C(C)C)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331704858 PTUWYAFKHOLENV-UHFFFAOYSA-N 436.537 4.790 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1cc(OC)c(Br)s1)C(=O)OC(C)(C)C 2337902850 BBSQMUPKTWFXRO-CQSZACIVSA-N 445.423 4.820 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2339546235 GFCSSHIIHFAWGW-ZRZAMGCNSA-N 431.389 4.579 30 10 IJEE C=C[C@]1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339577670 VUIMPTBQVWJNKG-ZOBSEURRSA-N 442.365 4.671 30 10 IJEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339596793 LZFSXQMVNPYKQF-ASLVEYIASA-N 443.397 4.608 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCC[C@H](CN(c3cc(Br)c(C#N)cc3F)C1)C2 2358294969 NESTWLCYXARVOG-RBZFPXEDSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@H](O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360194802 SAAHDPPRGVRYTC-VNTMZGSJSA-N 434.374 4.587 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@]2(O)C#Cc1ccc(Br)cc1 2381035318 WNUSNYPQVMUVTN-YVCBRDFCSA-N 434.374 4.635 30 10 IJEE CC(C)(C)c1nnc(CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)o1 20833850 CICXWEQKBNNBHO-FBCYGCLPSA-N 426.333 4.530 30 10 IJEE C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 21725987 OITFJCVFCASPNK-INIZCTEOSA-N 446.532 4.838 30 10 IJEE Cc1ccc(C)c(N/C(=N\C(=O)c2cccc(Cl)c2)NCCc2c(C)nn(C)c2C)c1 32973573 KCQMBVUWDQJKII-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE Cc1cc(C)cc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2cc(C)ccc2C)c1 32973577 PIYAWLCUUXNUSK-UHFFFAOYSA-N 431.584 4.711 30 10 IJEE O=C1/C(=C\c2cccc(Br)c2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 37857748 DINJYWJZPNTPCV-UFFVCSGVSA-N 449.304 4.812 30 10 IJEE C=CCOc1ccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CC=C)cc1OC 39912154 RGXXDWBMYLGCJY-DEOSSOPVSA-N 445.519 4.704 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3C2=O)cc1 41292914 LXVRDLCPKIRRAQ-MYKKPKGFSA-N 446.455 4.938 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)c1 41656742 IBUMZYDCXZDQCJ-OYKKKHCWSA-N 431.463 4.845 30 10 IJEE CCN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2F)C1=O 59490317 VNJUOXIDBVTOCH-INIZCTEOSA-N 440.327 4.795 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 111921232 UGHJXHWETGGXQG-RKKARLDVSA-N 445.446 4.629 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)c1OC 169951378 MJJTXPHZUMHQPX-QFIPXVFZSA-N 435.520 4.842 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(O)cc1 169962057 XJHAYRFTXUDRSH-QHCPKHFHSA-N 441.439 4.930 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccnc2)cc1 170191573 JOHBJKIRONFLSO-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)cc1 170227815 HNGSUIPEJXLFQN-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)cc2)cc1C 170235745 HPHZUHSZSSRWSU-NRFANRHFSA-N 443.927 4.662 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccc(O)c1 170259916 FBVQEWIBRNKBCU-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccco2)cc1Cl 170288302 VDMHZRJEOIYBFP-LJQANCHMSA-N 438.823 4.933 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccco1 170294836 YCCLZIWETSRWLK-OAQYLSRUSA-N 427.497 4.846 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(C)o2)ccc1Cl 170300927 MIQFBTGGUBODSC-FQEVSTJZSA-N 439.851 4.739 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2sccc2C)cc1 170315099 IRCKJMWHZGTZIH-OAQYLSRUSA-N 447.512 4.919 30 10 IJEE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)c1 170373159 SQKAPHKSNMBIEU-OAQYLSRUSA-N 431.444 4.629 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(O)c2)cc1 170385145 UETZXTRZPIHKSJ-JOCHJYFZSA-N 432.476 4.614 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(O)/C=C/c2ccccc2)[C@@H]1c1ccc(Cl)cc1 229205778 OXAJWMHQGZRGPP-SAPVJNCWSA-N 438.955 4.660 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCCC 407488564 FOJCTFJNLSQVMG-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE CCCc1c(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cnn1-c1cccc(C#N)c1 439677605 IJKBILDJFUHROS-KOSHJBKYSA-N 429.524 4.690 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)o2)cc1 505317917 BBPSGSZHCJCXPA-QGZVFWFLSA-N 430.291 4.971 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 508948072 ZBXYASFCWKFXFW-LSUHJGNXSA-N 430.552 4.676 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](c2cccs2)C1 509001469 WPWSMURMTPXSJE-HXUWFJFHSA-N 440.569 4.566 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 509012136 OWDODDPSTYFJKL-UHFFFAOYSA-N 445.489 4.644 30 10 IJEE C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 514364417 GXJQOFFDUAAXDF-JTQLQIEISA-N 430.942 4.931 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)cc1 519456400 GLIWGROZNUTFDR-ODOSVJCGSA-N 434.536 4.858 30 10 IJEE CCOc1cc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526519312 AYBPXMFDAMTLDP-HSZRJFAPSA-N 430.435 4.859 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccccc2)CC1 549533792 YONAKTUYZAGUFM-UHFFFAOYSA-N 428.359 4.557 30 10 IJEE C=CCOc1ccc(CNC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)cc1Cl 550269850 SERTXGKKAZSJHF-QHCPKHFHSA-N 441.015 4.923 30 10 IJEE CCn1c(-c2cc3c(C)nn(-c4ccccc4)c3s2)nnc1N1CCC(C)(C#N)CC1 558834833 ANAZLQMIGFWDHG-UHFFFAOYSA-N 431.569 4.804 30 10 IJEE N#CCCSc1ccccc1NC(=O)C(=O)NCc1ccc(COc2ccccc2)cc1 561210269 ZVQICPOIPDLONK-UHFFFAOYSA-N 445.544 4.526 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCOC1 571337461 PRXHWCDXNNGEPE-SFHVURJKSA-N 448.596 4.544 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](C)c2ccc(OCc3cccc(C)c3)cc2)cc1C#N 609045488 QIHWLHAOVMMHLJ-MRXNPFEDSA-N 433.533 4.759 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(OCC4CCCC4)CC3)n2C[C@@H]2CCCCO2)c1 619863055 SVNWXAGKWJZXIE-DEOSSOPVSA-N 449.599 4.561 30 10 IJEE Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 727589273 QTGAQKAHVQJECI-XMMPIXPASA-N 442.519 4.670 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1=S 728286643 TWEKFTZUEQAROF-IBGZPJMESA-N 438.528 4.929 30 10 IJEE C[C@H](OC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)NC1(C#N)CCCCC1 732680745 LGBNLWOVWCQSDE-HNNXBMFYSA-N 428.435 4.645 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)cc(C)c1 733202348 QMRQAVGUIIICOJ-FQEVSTJZSA-N 441.503 4.565 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccccc1OC)[C@@H]1CCOc2ccc(Br)cc21 733335607 ZFURQWJJPGMPLB-HNAYVOBHSA-N 443.341 4.687 30 10 IJEE C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735232697 SUDBEEQVFHTUOB-LJQANCHMSA-N 438.698 4.516 30 10 IJEE C=C(C)[C@@H]1CC=C(COC(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)CC1 747175554 AMDQDPIELHGIEE-HXUWFJFHSA-N 429.561 4.534 30 10 IJEE Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1Cc1cc2c(nc1O)CCC2 771905094 SFNNGFMPNHOIJZ-UHFFFAOYSA-N 443.532 4.563 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)CCCN1C(=O)OC(C)(C)C 791772604 CWJWLULMAWYOJI-DEOSSOPVSA-N 440.496 4.783 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 802585369 ANZUEZAFWXNSLH-UXHICEINSA-N 429.609 4.738 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3cccs3)n2)cc1 1084382397 ZKAKQZNZELRMFU-ZDUSSCGKSA-N 428.587 4.947 30 10 IJEE CCO[C@@H]1C[C@]2(c3ccccc3)C(=C(c3ccccc3)O1)C(=O)C(=O)N2c1ccccc1 1088741881 UARGELSDXPOUED-CUNXSJBXSA-N 425.484 4.692 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 1124884760 ICHYOFYTHFGBHL-IGSLEHJCSA-N 447.554 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1C#N 1125562342 DSEPTKGJPRQIBI-IBGZPJMESA-N 435.524 4.870 30 10 IJEE C#CCN(C(=O)c1ccc(F)c2occc12)[C@@H]1CCOc2ccc(Br)cc21 1126151118 LJZPGZUTCZIGHR-GOSISDBHSA-N 428.257 4.934 30 10 IJEE C=CCOc1ccc(CC(=O)OCc2ccc(I)c(Cl)c2)cc1 1127965179 JIJKIPUJSSDMEC-UHFFFAOYSA-N 442.680 4.795 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)cc1 1128752644 AJHNQYPSTBXBQW-UHFFFAOYSA-N 438.877 4.815 30 10 IJEE C=CCn1cc(C(=O)Nc2ccc(Br)c(OCCC3CCCCC3)c2)nn1 1134155978 ZUWLISYBLGWZSW-UHFFFAOYSA-N 433.350 4.828 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)c1ccccc1 1134654704 MJGKCXUQGGEBOX-PMERELPUSA-N 440.546 4.862 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(F)cc1F 1138286974 MEKGRNWJWHHWBF-AWEZNQCLSA-N 433.293 4.915 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(OC2CCCCC2)nc1 1177611985 NOZIXIHMCMZBFQ-UHFFFAOYSA-N 429.358 4.857 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 1187743708 AGVTXXKNVANYMO-UHFFFAOYSA-N 440.931 4.521 30 10 IJEE CC(C)OC(=O)c1ccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)cc1 1191780142 GWANQSIWLKMRQG-UHFFFAOYSA-N 440.503 4.912 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N[C@H](C#N)c1ccccc1 1195552424 WKUXNVLMMOKACY-QGZVFWFLSA-N 430.302 4.791 30 10 IJEE C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1198173273 BQPGLCHXSHGQDO-SVHPSLOZSA-N 437.609 4.924 30 10 IJEE C=CCC[C@H]1CCCN1CC(=O)Nc1c(Br)cc(C)cc1Br 1198406244 HHJCOXCDJQHMGH-ZDUSSCGKSA-N 430.184 4.889 30 10 IJEE C#CCN(C(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1)C1CSC1 1209816677 BYAMWVOSQNKRJJ-UHFFFAOYSA-N 437.403 4.991 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1ccccc1 1214123048 YEFPDQJWUSCCOA-QHCPKHFHSA-N 441.535 4.763 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c1 1214885621 HAAWTLSIWWFISB-VAMGGRTRSA-N 429.561 4.797 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1215091475 DNXQJYVDMGPJOZ-WMZHIEFXSA-N 425.504 4.849 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1222554365 SAYJJVLHWZAZMU-ZDXQCDESSA-N 438.593 4.635 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1233928506 QUKBFYYZIHPKNY-IRLDBZIGSA-N 448.485 4.895 30 10 IJEE Cc1nc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cs1 1271404023 FGTUZHAKTQNUFK-OAHLLOKOSA-N 436.924 4.635 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1c(C)noc1C 1286423805 PSNLTGOYWJWIRO-UHFFFAOYSA-N 429.568 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1286571421 PHRJYEBHNLTCDU-UHFFFAOYSA-N 434.544 4.571 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCS[C@H](C)[C@H]1C 1286588015 XWSHQPOUDISNFO-ZIAGYGMSSA-N 437.407 4.623 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1286701937 IEANCWUPRXIONG-UHFFFAOYSA-N 442.032 4.872 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H]1OC 1286748057 SFLHAXIUUWOHKB-NNWRFLSQSA-N 428.552 4.667 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@H]2C)C1 1290996454 GWHPILMRSSKQNV-PLACYPQZSA-N 434.632 4.808 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1291876748 HRAZBJNNPAFLAD-QHCPKHFHSA-N 436.552 4.744 30 10 IJEE CCCCCCC[C@H](C)CNC(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12 1291884874 KRRXMEYOANHKJC-INIZCTEOSA-N 425.529 4.719 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)C(=O)OC(C)(C)C 1293661921 XQTJIYDIJODSBX-UHFFFAOYSA-N 448.498 4.926 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 1297465825 YJJACDMMTHEDQL-HNNXBMFYSA-N 431.414 4.827 30 10 IJEE C#C[C@@H](NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccc(Cl)cc1F 1297712849 OJRPZAJJOJJVQH-OAHLLOKOSA-N 432.680 4.736 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1300367312 CHYDGCDWHQOACW-JOCHJYFZSA-N 435.597 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CC1(CCOC)CCCC1 1300816284 LHBOWYUNBQBAQS-XMMPIXPASA-N 440.563 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCOC2(CCCCCC2)C1 1300884426 KLXUEJINSVZZHP-RBBKRZOGSA-N 430.637 4.778 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN(C)C(C)C)CC1 1301069791 FRKQHCAAIPKMEB-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1301075303 CHRXIJQDWGSZPG-NHCUHLMSSA-N 437.632 4.552 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1301118880 NCYCHFNNEKBMRM-UHFFFAOYSA-N 447.583 4.738 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1301130350 XOMUMOLVXOOSGI-SANMLTNESA-N 434.584 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCSC1 1301136714 AQSZNRQFASXIHO-IBGZPJMESA-N 427.618 4.691 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301147115 AXBALGLLRSASOH-RTBURBONSA-N 447.624 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(C)C)CC1 1301160462 SAKIALYAASNISJ-UHFFFAOYSA-N 439.648 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1F 1301358996 BUHKMWWOPVLUNV-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)CCc2nccs2)cc1 1301519653 VIWQZFGWGDGQKE-UHFFFAOYSA-N 435.553 4.595 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC3(CCCCC3)O2)cc1 1304396112 HKBIWRLAZUJJMA-RBBKRZOGSA-N 437.588 4.786 30 10 IJEE N#Cc1ccc(NC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc1Br 1310712553 GIFUZNVFFNBBPO-NRFANRHFSA-N 436.309 4.843 30 10 IJEE C[C@H](NC(=O)N[C@H](c1cccnc1)C(C)(C)CO)c1ccc(-c2cccc(C#N)c2)cc1 1312478506 HHPMSPGAUFTGNU-MHECFPHRSA-N 428.536 4.740 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc2n(n1)CCCC2=O)c1ccc(C)c(C)c1 1351157792 GZEABFDOMMMQEX-UHFFFAOYSA-N 429.520 4.888 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1nn(-c2ccccc2F)cc1Br 1355280234 FOOCUSGNWNDJDZ-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1 1356275350 DORUEUBACRAYIP-HXUWFJFHSA-N 445.611 4.585 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2nc(NC(=O)CCC)sc2c1 1357636162 NGNQUAGKHDNDFL-UHFFFAOYSA-N 425.510 4.861 30 10 IJEE C=C1CCC(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)cs2)CC1 1357889880 NUXQAINTYQPGCJ-UHFFFAOYSA-N 433.599 4.526 30 10 IJEE CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1=O 1358011057 CBPDCXLBHGKYDQ-LJQANCHMSA-N 441.487 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1358871687 JBPOTIPYENWVJF-OALUTQOASA-N 433.531 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCC[C@@H]1C 1358986311 ULTAFQOUVFLKME-FDFHNCONSA-N 434.584 4.716 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC(C)(C)C1 1359000759 DJLLBMVSSHZFRD-JOCHJYFZSA-N 437.632 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OCC)cc1 1359098667 DLIAVRCXEYIEQJ-MZYLBHOOSA-N 440.588 4.536 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)C1 1359155633 FKIJRKPTIQJLOZ-LBPRGKRZSA-N 433.792 4.858 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCN2CCC)CC1 1359159163 ORTFZYCSQOTREM-IRLDBZIGSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1359160899 IUMKDZOTAXZRTD-XXBNENTESA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1359165973 AVYQANIXAWUDDK-XMSQKQJNSA-N 430.543 4.899 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1359181195 JKLATWHJLUDJDO-FCHUYYIVSA-N 437.632 4.688 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359208277 JELIUJBXUZHDGX-QFIPXVFZSA-N 449.559 4.732 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1359257209 CJHPSXAIWFMPIT-UHFFFAOYSA-N 427.593 4.635 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1359258713 ZUHZPCBMKWELIO-IBGZPJMESA-N 439.604 4.899 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C)C(C)C 1448622757 RODDUWRYCZBPGR-NRFANRHFSA-N 440.609 4.789 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cccc(C)c2)c1CC 1448840025 RLFASQPFNDHVSO-QGZVFWFLSA-N 432.952 4.718 30 10 IJEE CC(C)COc1ncc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1Cl 1458221418 GMZIRFGZIHLUGR-UHFFFAOYSA-N 430.295 4.733 30 10 IJEE O=C(Cc1ccc2c(c1)OC(F)(F)O2)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 1459686061 BHVOHQRGMIBLQB-UHFFFAOYSA-N 439.283 4.852 30 10 IJEE C#CC1(O)CN(Cc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2Br)C1 1462634989 BJCIWNRYMXRQTF-UHFFFAOYSA-N 427.125 4.728 30 10 IJEE C=CCC[C@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)c1ccccc1 1463376337 SLRNSARLHFCIEO-SOKVYYICSA-N 432.489 4.575 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccc1)C(F)F)[C@H]1CCOc2ccc(Br)cc21 1466618529 UOSVEPNMEXCMKI-HKUYNNGSSA-N 449.295 4.924 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCCCc3ccc(Br)cc3OC)cc2n1 1467353743 QLDUAAHIILODNU-UHFFFAOYSA-N 443.345 4.748 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1)C(C)C 1467491511 XBCUXLOEFNISKV-HSZRJFAPSA-N 432.572 4.549 30 10 IJEE CN(CCC(=O)Nc1cccc(CC#N)c1)C(=O)OCC1c2ccccc2-c2ccccc21 1468127585 FULTVHOESVSSIM-UHFFFAOYSA-N 439.515 4.962 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1470011745 VMXPRFKTVASRLD-UUOWRZLLSA-N 448.007 4.628 30 10 IJEE C#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c(Cl)c1 1477146951 JZRGPBICAOSNDP-GOSISDBHSA-N 437.696 4.828 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCOC1 1507517629 QVUROCCCJVPWAG-GBESFXJTSA-N 430.980 4.573 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)C)CC1 1507556576 BFBJKFXECHHVPI-UHFFFAOYSA-N 425.646 4.609 30 10 IJEE C#CCCCCn1c(N(C)[C@H]2CCC[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507575957 WXHWAYRMIRLBJR-BURNTYAHSA-N 443.636 4.867 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cc(C)cs1 1507745910 GPCKHUYFDPNJNO-QGZVFWFLSA-N 444.601 4.930 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)c1cccs1 1507818066 UWNLMCHPHUOHJZ-XMMPIXPASA-N 433.581 4.865 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1507925338 FQBAHBMRBWBXQW-KGVIQGDOSA-N 428.552 4.917 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1scnc1C 1507935353 PQFMLCDFXIOOKO-LJQANCHMSA-N 425.558 4.548 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1508117900 PDTMFPZHSIXIHT-MJGOQNOKSA-N 449.452 4.676 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCSC[C@@H]1C 1508151576 YPMQUNLPJUDELK-CVEARBPZSA-N 434.700 4.992 30 10 IJEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)C1 1512179778 HJTVQCFSHVPZMQ-VQTJNVASSA-N 448.640 4.678 30 10 IJEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)CCOC1(C)C 1512574895 GDQMKNCUBXUCBW-UYAOXDASSA-N 437.588 4.559 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(F)c(F)c1 1517408661 CWQXCZFMLLCCIY-QFIPXVFZSA-N 448.535 4.577 30 10 IJEE C=CCC[C@@H](C(=O)NCCc1cn2cc(Br)cc(C)c2n1)c1ccccc1 1521598727 CQFGPDCDODMSPQ-HXUWFJFHSA-N 426.358 4.814 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)on2)c1 1524865189 ADPQPCQADRRFJS-MRXNPFEDSA-N 427.291 4.529 30 10 IJEE C#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C(C)(C)C 1525076646 VKCUWRSHUUFQLE-DEOSSOPVSA-N 433.552 4.832 30 10 IJEE N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCCN(c4ccc(Cl)cc4Cl)C3)CC2)c1 1525493830 DGZBLOWOHYRGKG-GOSISDBHSA-N 432.326 4.821 30 10 IJEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1525937722 FJDIONRCQOUEKM-NQIIRXRSSA-N 434.536 4.720 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)C1 1526527308 SPCNLLBELUHGJN-QGZVFWFLSA-N 426.442 4.557 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 1526691346 DEMUFQFRZYRPJY-PGRDOPGGSA-N 429.907 4.987 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCNc1ccccc1[N+](=O)[O-] 1527807415 RWGRPQWYFOMEML-UHFFFAOYSA-N 436.281 4.513 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 1527974202 CDYSIBUDWGQRSN-IFMALSPDSA-N 425.406 4.976 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1529304693 BRUBMZUZPSEWQF-BGYRXZFFSA-N 432.630 4.562 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OCC(F)(F)F)nc1 1529485009 CDWPTLRIXMWRBD-UHFFFAOYSA-N 447.226 4.753 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(OC)cc1)c1ccc2c(c1)OCO2 1529763532 DYHORVIRVRFTBI-UHFFFAOYSA-N 431.488 4.765 30 10 IJEE C=C[C@@H](OC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC)c1ccccc1 1532387742 OERBDSCBFTTZNY-HSZRJFAPSA-N 441.483 4.966 30 10 IJEE COC[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(F)c(F)c1 1535395735 CTVCDOOORWLHJY-NRFANRHFSA-N 426.394 4.885 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1538971731 FANRXWHRTADGSR-OTWHNJEPSA-N 428.024 4.813 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC(C)(C)C1 1539066451 VGMOVMLOMKAEPD-FQEVSTJZSA-N 443.636 4.823 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1539524440 DOWOALSEBQHHBG-UHFFFAOYSA-N 434.993 4.726 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1539581060 WBILVIKYAFQGBG-VHSSKADRSA-N 446.349 4.777 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)C(C)C 1539625119 ZGMAKRDPVSBATD-NZQKXSOJSA-N 442.604 4.957 30 10 IJEE C=C(Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC(N)=O)c1ccccc1 1539764971 BQSVKHLPUCMASQ-FUHWJXTLSA-N 449.624 4.545 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCC[C@H](C)C2)CC1 1539881847 LXOKYWUZWLJWDZ-FQEVSTJZSA-N 425.596 4.999 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539908851 CMPNQMWGFFANRV-NRFANRHFSA-N 444.645 4.513 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539921326 VZNPEWQGUZOZEK-HXUWFJFHSA-N 436.579 4.728 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1539983557 ZKKKZLURYRRAQE-JOCHJYFZSA-N 434.563 4.647 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1540028924 USJTWXADPINASP-OAQYLSRUSA-N 437.975 4.889 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 1540043220 YOTAPNWIZSMZNR-NHCUHLMSSA-N 430.568 4.565 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC(F)(F)F 1540056863 XKBWOPQTAACAOZ-UHFFFAOYSA-N 433.272 4.565 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1540162044 KRWBRXSTDLDZAF-UHFFFAOYSA-N 444.486 4.713 30 10 IJEE CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1540470720 BILQWHQKFGFFOH-OAQYLSRUSA-N 449.551 4.976 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1540855895 FCGBUEKPULYDMI-FCHUYYIVSA-N 440.588 4.711 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)c2nccs2)C1 1540886233 YLEHYLMPXKMQIB-YJBOKZPZSA-N 429.977 4.640 30 10 IJEE C[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ccc(Cl)cn2)C1 1543765563 HRFJNQHVKGLKBJ-DLBZAZTESA-N 436.947 4.569 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 1556214526 QZBPNRDXJINWEG-JOCHJYFZSA-N 428.941 4.805 30 10 IJEE C=C[C@@H](C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1)c1ccccc1 1556219927 RAFVOUORAOIRGN-WOJBJXKFSA-N 444.369 4.935 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1557865257 OKEKNRNOPQQPCG-UHFFFAOYSA-N 435.593 4.650 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(-c4cnc[nH]4)cc3)o2)cc1 1559384401 IHQLAKKVPARCSR-HNNXBMFYSA-N 447.520 4.811 30 10 IJEE COc1ccc([C@@H]2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccc(F)cc3)C2)cc1 1559516752 BRJLFOMDKFYMFB-HXUWFJFHSA-N 446.526 4.542 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CCCCC1 1562111682 RDELZKWGIBNYPM-KDURUIRLSA-N 433.618 4.754 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 1563683584 CEIZAZMPRBROER-QFIPXVFZSA-N 430.379 4.822 30 10 IJEE C#C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1583579987 WRDGIEONOHCWSU-QUCCMNQESA-N 430.907 4.578 30 10 IJEE CCc1nc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)nn1-c1ccccc1F 1584393511 CRIYNVMQATWXRA-AWEZNQCLSA-N 445.420 4.542 30 10 IJEE C#CCOc1ccccc1CNC(=O)C[C@]1(CC)OCCc2c1[nH]c1c(CC)cccc21 1586246813 FJVBLQKFUKRULC-MHZLTWQESA-N 430.548 4.627 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 1586935691 KFMTYAZXTGASAZ-ZPHPHTNESA-N 443.503 4.952 30 10 IJEE C=CCC1(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)CCOCC1 1587256324 HYYNZNPJRMKEDF-SFHVURJKSA-N 432.914 4.754 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 1587484158 KMGZIFRSQAUMAL-UHFFFAOYSA-N 448.280 4.525 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)C1CCCCC1 1588105217 QFFFNTFZQDLNBB-HHHXNRCGSA-N 432.612 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1589614727 DTMCWESMANZXDZ-HSZRJFAPSA-N 449.599 4.631 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CN2CCCCC2)cc1 1589657665 IOGSHLUCFOXSCB-XMMPIXPASA-N 437.632 4.609 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC1(C)C 1589658116 SSQPILYVMHRPMQ-RTBURBONSA-N 431.625 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCc1ccc(OC(F)(F)F)cc1 1589668787 CFJIGJNWKKSSPZ-UHFFFAOYSA-N 445.489 4.808 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc2ccccc2o1 1593757753 NLJMABPBMOWJOD-UHFFFAOYSA-N 437.569 4.609 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2OCCC2(C)C)CC1 1594133616 ALHHJJNOEXZGCI-HXUWFJFHSA-N 428.602 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1594528093 FLFIAWXZZMIZLY-CPJSRVTESA-N 448.652 4.705 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCC=C(Br)C1)C(C)C 1595165239 DEEROIIQFLARQO-IBGZPJMESA-N 436.442 4.589 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1 1595901338 UHSWDIAFJGXBIE-HNNXBMFYSA-N 442.963 4.911 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cc1Br 1612093190 DSTUEKMOGUPDFB-UHFFFAOYSA-N 447.314 4.865 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(OCc2ccc(Br)cc2)CC1 1617590864 FWZPECAIRKTADX-KRWDZBQOSA-N 441.369 4.707 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nncs2)cc1 1626178168 CFYAFXARDGFTED-AWEZNQCLSA-N 440.978 4.664 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1631404130 LFZHTDKVIOZETB-ZROIWOOFSA-N 426.398 4.567 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C 1632409905 YQOZVEUGHGBUKU-FCHUYYIVSA-N 440.588 4.607 30 10 IJEE C#C[C@H](NC(=O)N(CCOC)Cc1cc(Br)cs1)c1ccc(Cl)cc1 1636556392 BIWKCPCBUUTAGM-KRWDZBQOSA-N 441.778 4.697 30 10 IJEE C=CCn1c(SCC(=O)N2C[C@H]3CCC[C@H]2C3)nnc1-c1ccc(Cl)cc1Cl 1640132110 GQDPILGDYFYHJU-ZFWWWQNUSA-N 437.396 4.931 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)Cc2cc(F)cc(OC)c2)cc1OC 1651201863 AXMTWQFVQAKDIE-AWEZNQCLSA-N 438.337 4.891 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(Cl)c2Cl)nc2ccccc2c1=O 1651611587 QWULIPCYFVNOSJ-KRWDZBQOSA-N 435.332 4.896 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(OC)n2)nc2scc(-c3ccccc3)c2c1=O 1651637911 PLNPNCBUYZXDQG-UHFFFAOYSA-N 449.557 4.690 30 10 IJEE C=CCn1c(SCCCN(CC)CC(F)(F)F)nc2sc3c(c2c1=O)CCCC3 1651638272 YDFXYWIKKCBDSM-UHFFFAOYSA-N 445.576 4.889 30 10 IJEE C=CCn1c(SCCOc2ccc(F)c(Cl)c2)nnc1[C@H]1COc2ccccc2O1 1656076877 QZESGXMHEASUEF-LJQANCHMSA-N 447.919 4.940 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 1666543507 AYLYPGJPXUMGKR-UHFFFAOYSA-N 435.549 4.696 30 10 IJEE C=C(CC)CNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1666831031 ZUXVFDSTXXTVJO-UHFFFAOYSA-N 443.569 4.741 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)c1ccc(Cl)cc1F 1669231303 IBDXFTGFZIZHDT-SFHVURJKSA-N 435.724 4.947 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)CC1 1671679905 PNHWLMCAZZCPSH-OAQYLSRUSA-N 429.561 4.863 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1 1672277988 IVTUSMDVPJFNCS-ZDUSSCGKSA-N 427.448 4.648 30 10 IJEE COc1ccc(NC(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)cc1C#N 1674302220 FHOQMLWERZJCKR-IBGZPJMESA-N 428.330 4.958 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)C1 1675159241 BGTDGQYBRBCBQX-CYBMUJFWSA-N 429.318 4.644 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1675326656 UNGZNQLRIOJMSA-LJQANCHMSA-N 447.624 4.587 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)CC1 1679470327 FYKTWMGRMFLCHZ-QFIPXVFZSA-N 444.959 4.559 30 10 IJEE C#C[C@@H](NC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 1679679997 CMLNIEDKTHVGLP-AREMUKBSSA-N 429.539 4.892 30 10 IJEE C=CC[C@@H](CC)NC(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1682087911 WKFXHCBFSPAMJC-HXUWFJFHSA-N 443.588 4.715 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)cc1 1682742399 HWXVHKGMPJWPIX-UHFFFAOYSA-N 434.536 4.718 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1)c1ccccc1 1683507987 KYEDEWQQLFLNGV-YADHBBJMSA-N 437.584 4.572 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC[C@@H](OCC)C(C)C 1689842818 JNDVHZAXKUTSNP-VQIMIIECSA-N 433.394 4.617 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccccn1 1690334111 DPIBXGMACANIHY-UHFFFAOYSA-N 432.753 4.800 30 10 IJEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(COC(C)(C)C)c2)CC1 1690364473 RBBXMDNQALPSCX-FQEVSTJZSA-N 442.604 4.522 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CCOC)CCCC2)CC1 1690365888 JXPKJIGRLBARSD-UHFFFAOYSA-N 448.409 4.789 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)c2ccccn2)CC1 1690378712 BISPKKFBCDHINY-UHFFFAOYSA-N 431.584 4.601 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2Cc2nc(C(C)C)cs2)CC1 1690382156 DMLJKLTZXMZKAE-UHFFFAOYSA-N 439.585 4.650 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2nc3cc(Cl)ccc3s2)C1 1690686692 RYHOOFCPZCKLOS-OAHLLOKOSA-N 431.993 4.668 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)c(C)o1 1692960005 HNMMWOXXRKKXAK-QUGAMOGWSA-N 447.583 4.807 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1705530611 QJBOFPZUWLOMDZ-UHFFFAOYSA-N 440.588 4.548 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)C[C@@H](C)C1 1705654527 LKBNKJHQDJJGDZ-RCCFBDPRSA-N 428.671 4.980 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1705654548 MCHRXVRXXQKBII-INIZCTEOSA-N 447.446 4.946 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1cscn1 1705706672 YIRNNURWJUEBAT-NFBKMPQASA-N 437.613 4.528 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1705721554 INZPJOSUMBKVHR-LJQANCHMSA-N 431.378 4.679 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705749494 YNAJUZHQZGDKMW-ZFWWWQNUSA-N 426.779 4.677 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC(F)C1 1705759888 VCZNARPSVWQYLZ-UHFFFAOYSA-N 443.748 4.556 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCCN(C)C)CC1 1705763697 BFTBGFUCHRMNJA-UHFFFAOYSA-N 446.020 4.548 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCOC2)CC1 1705779019 RQCOPZKLOHHQBG-QGZVFWFLSA-N 431.378 4.537 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1c(C)noc1C 1705814030 AVLDHRSOPWRVLW-UHFFFAOYSA-N 430.350 4.915 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(F)(F)F 1705860840 XAFCIYLNOCQCMT-LJQANCHMSA-N 447.505 4.825 30 10 IJEE CO[C@@](C)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N)C1CC1 1711492023 AWNWYTLBWPTYET-MWTRTKDXSA-N 427.618 4.686 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOc1ccc(Cl)cn1 1722404292 XRRJVLZRXBCZCR-UHFFFAOYSA-N 437.975 4.830 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCc1sc(C)nc1C 1722421604 JAZGYMMCBXRTOD-UHFFFAOYSA-N 425.577 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1c(F)cccc1N1CCCC1 1722516068 RFDZMWIMMVHJOR-QFIPXVFZSA-N 427.568 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(C)(C)O)c1 1722517428 RSYACPUFCFDLBV-FGZHOGPDSA-N 440.632 4.875 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CC=CCC1 1722528002 VEIXAQTVNBZUQV-NRFANRHFSA-N 437.588 4.532 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722529704 ZWTSXTORQREITL-FXAWDEMLSA-N 448.995 4.525 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1722534851 XTXOAAVYMUFNBZ-MRXNPFEDSA-N 444.551 4.925 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C/C=C/c2ccccc2)CC1 1722572046 JYWBWEVXEJGROB-CFVXRLLBSA-N 449.599 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nccc(C(F)F)n2)CC1 1722575512 MBKCNMFQNSZLSG-UHFFFAOYSA-N 430.890 4.777 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1728233384 FQVIKPKWFCAJCH-FCHUYYIVSA-N 439.604 4.663 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCC=CO2)CC1 1731185772 DIYDPQNEOSSBKP-SFHVURJKSA-N 429.977 4.656 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CCCC2)C1 1740709214 KNYUMRJCIIPALA-GOSISDBHSA-N 428.577 4.694 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1740712369 GDSBZFHIUWGVDO-JOCHJYFZSA-N 426.630 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCCCSC 1740727171 BUQVWINGOPCBPV-HXUWFJFHSA-N 433.419 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@@H](F)C1 1740774272 PLJXLFLHGFSJLT-UYAOXDASSA-N 449.615 4.933 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1740845056 CKQNOAFYMNCWSV-HXUWFJFHSA-N 432.996 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740850569 MBHIDRRAEGYOMZ-NRFANRHFSA-N 426.605 4.753 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1740854443 OWIGOXBAYTUEIB-JOCHJYFZSA-N 430.600 4.621 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1740855109 LKQQUYFMZIEZOU-VXKWHMMOSA-N 435.572 4.773 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CC1(c2ccccn2)CCC1 1740931290 IOEZEIPIICFPIR-UHFFFAOYSA-N 435.522 4.842 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1748699974 SZPQTDLHCODSMS-VXKWHMMOSA-N 446.599 4.566 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1748830039 NQSIWRDMVSLWKI-RCCFBDPRSA-N 448.464 4.924 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC[C@@H]1C 1749058875 RONJAWHGOPBJCF-PONJGIIJSA-N 433.383 4.917 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H](OC)C(C)(C)C1 1749085369 AXAMHKQPYPFPAU-ROUUACIJSA-N 433.394 4.590 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(OCC)c(OC)c1 1749283731 AJAHHTGKVOZFMS-UHFFFAOYSA-N 442.951 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCN(C)C(C)C)CC1 1749287880 DTWYUBPHQJVBBJ-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H]1CCOC1 1749390217 ATSDTRNABYTBCW-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1749398639 MWFAGLRFRKSWMX-NRFANRHFSA-N 435.616 4.938 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@H]1CCCOC1 1749415611 PVSGHUVCJBZUEN-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@H](c1ccco1)N(C)C 1749531507 IQCDOASLURLJBW-QHCPKHFHSA-N 444.583 4.896 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1749554173 PTINDYZRRHHXKR-UHFFFAOYSA-N 433.585 4.564 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2nc(C)cs2)C1 1749701420 UDWBEWCBPANJFL-HXUWFJFHSA-N 437.613 4.837 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1Cc1cccs1 1749762548 XWTRVHRHHGVARN-SFHVURJKSA-N 445.683 4.826 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C)CCOCC1 1750066013 FKSBJCSSDSHUON-IBGZPJMESA-N 449.555 4.530 30 10 IJEE C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N)c1ccc(F)cc1 1751208816 HROBHXLZIKXLDL-HRQSHJORSA-N 427.568 4.878 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(F)cn1 1751338219 DNTWYNABHOGOAU-OAHLLOKOSA-N 447.543 4.698 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@@H]2C)CC1 1760382330 ODYUTOWAICOHHA-OALUTQOASA-N 429.996 4.712 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1760390452 GZBDWEHLLCDPIU-NHCUHLMSSA-N 439.623 4.921 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2ccccn2)CC1 1760397178 OAMZBJXPJYLWOK-FQEVSTJZSA-N 447.583 4.857 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760441333 DQKGRLZXDBQGEK-QGZVFWFLSA-N 428.631 4.749 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1 1760480935 JFLMPLSXYNTAAZ-ATIYNZHBSA-N 438.616 4.696 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCOC1 1760487875 GEIXKSCSFMFNDF-HXUWFJFHSA-N 438.597 4.846 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)[C@@H]1C)C(C)C 1760488599 ZTPIWGHYESRNRM-IRFCIJBXSA-N 443.039 4.927 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 1760530232 MCMTYNKGGSMZGC-NRFANRHFSA-N 439.648 4.963 30 10 IJEE COc1ccccc1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N 1768950469 CGMPFIFQELTROL-DLBZAZTESA-N 435.597 4.927 30 10 IJEE Cc1cc(Br)cc2c1N(CCOc1ccc(Cl)cc1Cl)C(=O)C2=NO 1772729046 RYVWSWKPUINIIE-UHFFFAOYSA-N 444.112 4.668 30 10 IJEE Cc1c(C(=O)Sc2nc3ccccc3s2)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729239 JKNNELZPJCSKLU-UHFFFAOYSA-N 444.607 4.640 30 10 IJEE C=CCOc1ccccc1C=NN=C1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)S1 1772742051 WGSKGBAWQMKOLH-SFHVURJKSA-N 434.348 4.722 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C\c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 1772758911 HGFFKCUITZYALW-SRUQFNRKSA-N 448.523 4.991 30 10 IJEE Cc1cc(C)cc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(-c4ccccc4)cc3)n2)c1 1857807245 XOXWTSSWXDHDHT-DICXZTSXSA-N 425.561 4.990 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)c3ccccn23)c1 1858241871 IXVKAXZTXBQCEI-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE Cc1ccc(-n2ncc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c2C)cc1 1859656840 FJWRRWPVVZVIQZ-UHFFFAOYSA-N 447.502 4.655 30 10 IJEE COc1ccc(C)cc1NC(=O)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 1860728350 KQJKEVLZQGLFMI-ZRDIBKRKSA-N 431.488 4.812 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(=O)n(CCC)c1)[C@H](C)CC 1861243697 PBEIWTVLEAHTIT-OFNKIYASSA-N 433.637 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862431284 DFXUQNCXSDRBBV-FQEVSTJZSA-N 427.884 4.662 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 1862477094 SBYKQOISPOPUNC-JOCHJYFZSA-N 440.971 4.959 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1Cl 1862631539 COUZHZGLYWLPFR-GOSISDBHSA-N 434.275 4.709 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(OC)c(O)c(OC)c1 1862670229 OQVFWFOLYLWWFL-OAQYLSRUSA-N 439.508 4.521 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862676928 UVELMUKOIWVIHO-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3Cl)C2=O)c1 1862947307 HBOAILYOVLTVHY-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2ccc(F)cc2F)C1=O 1863320814 IXCLSRIIVBBKRK-UHFFFAOYSA-N 439.506 4.969 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(Cc2ccncc2)C1=O 1863392245 WCPDJCJWXJAUII-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(C)cc2)C1=O 1863619561 BWPGSUODHQXYBC-UHFFFAOYSA-N 427.633 4.757 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(CCC)C1=O 1863713628 CARZVFPAOZGUPV-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE CCCCCCCCC(=O)Nc1sc(C(=O)OCCOC)c(C)c1C(=O)OCC 1866090336 CFLQBDGLIOMQCL-UHFFFAOYSA-N 427.563 4.726 30 10 IJEE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)NC(C)(C)C(=O)Nc1cccc(C#N)c1 1867181608 LGENQYWMOGTPMI-UHFFFAOYSA-N 444.535 4.721 30 10 IJEE CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccc(F)cc1 1868095579 HAYGSCHGGYIPSS-KRWDZBQOSA-N 434.355 4.992 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CN(C)C 1870723000 JCIBHAYWDOBZAM-UHFFFAOYSA-N 441.616 4.850 30 10 IJEE CCCCCCCOc1cn(CCN(C)C)c(CNc2ccc(OC)cc2C)cc1=O 1870838167 RLIFLWPROHOLCT-UHFFFAOYSA-N 429.605 4.688 30 10 IJEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cc(OC)cc(OC)c1 1871266990 UASXVQDNCUKICG-UHFFFAOYSA-N 446.588 4.599 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccco1)C3=O)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 1871359719 XVPAZRJWHHEUPP-FUZNYIRFSA-N 437.879 4.743 30 10 IJEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871374081 PQMPSJAMADIEPJ-JMIUGGIZSA-N 446.371 4.647 30 10 IJEE Cc1cc(OC(=O)CCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871385580 BDXJPNYLIGNWDZ-QRVIBDJDSA-N 428.440 4.878 30 10 IJEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871394605 GTIOMFNCLUFAIT-QRVIBDJDSA-N 442.471 4.783 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCC(O)CC2)n1 1871479298 NXZSZRJYYDUTFI-UHFFFAOYSA-N 440.636 4.859 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872507882 NSPNKLPGCSRDGX-HRAATJIYSA-N 434.989 4.879 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc2n1CC(C)C 1873577435 RDZKURYVCKAKOZ-PMACEKPBSA-N 443.636 4.791 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCCCOCCCC)ncnc21 1873608179 NTPARMAZRFCHPC-UHFFFAOYSA-N 446.555 4.970 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCCCN(CC)CC)ncnc21 1873626318 TZQZKBFUMVUELV-UHFFFAOYSA-N 440.979 4.667 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N(CC)CC)cc1C)n2C 1873655861 ABLHWGZTKCSGQD-UHFFFAOYSA-N 432.572 4.554 30 10 IJEE C=CCOc1ccccc1OCC(=O)NCC1(Cc2nc3ccccc3[nH]2)CCCCC1 1873713041 LRDANTAALGVUKL-UHFFFAOYSA-N 433.552 4.816 30 10 IJEE C=CCOc1ccccc1OCC(=O)NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12 1873767159 DTDNLTGFVOLNQD-UHFFFAOYSA-N 448.441 4.677 30 10 IJEE CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1cn(C)c2ccccc12 1874240987 JLKJYJNOLNSTRY-ZVHZXABRSA-N 435.553 4.742 30 10 IJEE CC(C)(C)N1C[C@H](c2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)CC1=O 1874278292 OKLOMPRDXSZCOW-PXMCARDJSA-N 433.581 4.567 30 10 IJEE CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(OC)c(OC)cc1OC 1874366676 OLZRJHHYZRDQSH-WSDLNYQXSA-N 432.933 4.619 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1O 1874438635 KXGXTBUNDMPEDO-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2[C@H]2CCCO2)cc1 1874447434 BUXVOJUMXXUWNK-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C2CCCC2)cc1OC 1874456177 FEERTSPTQWNSOO-JJIBRWJFSA-N 446.617 4.870 30 10 IJEE COCCc1nnc(SCc2ccccc2C)n1/N=C/c1cccc(Br)c1 1874470095 NDTYZCRGORTVBY-LPYMAVHISA-N 445.386 4.712 30 10 IJEE Cc1ccc(OCc2nnc(S)n2/N=C/c2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 1874569445 XONRUYKPMOGGPN-WSDLNYQXSA-N 425.514 4.542 30 10 IJEE O=C(/C=C/c1cc(Br)ccc1OCCCO)c1ccc(Br)cc1 1874574239 CHTLZEQDRGEAKX-XBXARRHUSA-N 440.131 4.869 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)c1 1874596887 IHTJAHAVLLJBBP-ZRDIBKRKSA-N 442.471 4.828 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COCc3ccccc3)c2)cc1 1874696831 NPISSMBIXWCURO-RIYZIHGNSA-N 432.472 4.722 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c([N+](=O)[O-])c2)c1 1875101452 BKGNQEFTQROBID-ZRDIBKRKSA-N 447.443 4.656 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 1875101621 ULJKLKZQYHWUJD-BQYQJAHWSA-N 448.431 4.512 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)COCCOC 1875110677 WKSOSGYETSTDKI-ZHACJKMWSA-N 444.911 4.542 30 10 IJEE O=C(c1ccc(C(F)(F)F)cc1F)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1890918278 YDAOZHVFUHFTTM-UHFFFAOYSA-N 436.327 4.942 30 10 IJEE CN(C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1cccc(C#N)c1 1902269725 IZCAVASNWQELBA-UHFFFAOYSA-N 437.499 4.592 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)c1ccc(F)c(Br)c1 1922073436 DIGVKYOCJDCALX-VXKWHMMOSA-N 436.365 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 2008612758 CZUVSVUIYBMBOD-UFYCRDLUSA-N 442.522 4.925 30 10 IJEE CCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2034739190 IDSNTIAXEJIGRS-MUUNZHRXSA-N 426.608 4.649 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1 2040498070 BIOYSYONEDKMJZ-DEOSSOPVSA-N 445.519 4.668 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2cc(Cl)cc(Br)c2)C1 2063051671 GPILRMOMQJMHRS-MRXNPFEDSA-N 429.786 4.833 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](OC)C1CCN(C(=O)OC(C)(C)C)CC1 2067705360 KKZSDBWMCXCKPU-ZEQRLZLVSA-N 446.632 4.790 30 10 IJEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1O 2079979472 PUVWLQWRCCRDNE-AWEZNQCLSA-N 432.240 4.886 30 10 IJEE CC(C)[C@H]1[C@H](Nc2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2126372276 QSKLFBMCKBMEBX-WBVHZDCISA-N 426.330 4.906 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 2159127412 GIAZCKHSBGXDMZ-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(Nc2cc(Br)cnc2C#N)cc1 2167621702 GNGYTIBAWDCZQU-HZPDHXFCSA-N 429.318 4.840 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3ccc(Cl)cc3Br)c2)OC1(C)C 2178294744 ALUSWPGCYIZACE-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE Cc1cc(Br)c(C(=O)N2C[C@@H](C)CC[C@@H]2C=O)cc1NC(=O)OC(C)(C)C 2181019618 SFPJKXRXMRUABM-GXTWGEPZSA-N 439.350 4.544 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2C#N)CC1 2181106917 BHLPXYWVMJMWEV-XJKSGUPXSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181143737 LONBOKCWKGFFQP-HOCLYGCPSA-N 436.350 4.590 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)C=Cc2ccc(Br)s2)C3)OC1(C)C 2194119866 CJTLIWUBEXBLFA-DJJJIMSYSA-N 438.196 4.609 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2c(Cl)cccc2Br)C3)OC1(C)C 2194120057 GBZXJLOACIZYEV-HXPMCKFVSA-N 440.574 4.801 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2F)OC1(C)C 2266983932 IUKVQGDFHCBBGU-UHFFFAOYSA-N 435.304 4.561 30 10 IJEE CC1(C)OB(c2ccc(C(=O)NCc3ccccc3OCc3ccccc3)s2)OC1(C)C 2267198344 WQSOIOJYKDFTMG-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE C=CC[C@@]1(COc2nc(C)ncc2Br)CCCCN1C(=O)OC(C)(C)C 2272079735 FTMHWNPIRHVJPP-IBGZPJMESA-N 426.355 4.662 30 10 IJEE O[C@@H](C#Cc1cccc(Br)c1)c1ccc(Cl)c(I)c1 2278788212 BLYLKDAVNPBZHV-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@H]1C(=O)C#Cc1ccc(Br)cc1 2278790186 RFDVTVHVGZXAJH-QGZVFWFLSA-N 438.387 4.501 30 10 IJEE C=C([C@@H](OCCC(=O)O)c1cc(Br)c(Br)o1)[Si](C)(C)C 2290984000 JXQRLNMZVPAGGL-GFCCVEGCSA-N 426.177 4.771 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 2296132764 JDFNJFNOLUPQBB-JOCHJYFZSA-N 432.451 4.636 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296144546 DYSJNXVMRZVDAJ-PKOBYXMFSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296216109 HJXMXUKWXAWFTH-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)C#Cc1ccc(Br)cc1)C2 2296269455 OVLNVYGGEDWCEU-OALUTQOASA-N 432.358 4.938 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2296288872 LJXOLONCJDYFCD-NBYUQASBSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@H](N)C#Cc1ccc(Br)cc1 2296301697 YCTYGNUTJLOHST-RTBURBONSA-N 433.390 4.698 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2296311391 WPRRCUYTQUGLAG-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 2296775194 ZPAVAXIBKZURSV-JOCHJYFZSA-N 432.451 4.634 30 10 IJEE C#CCOc1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC 2297506283 SERXILKMJBOBGS-UHFFFAOYSA-N 439.558 4.507 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 2297741124 VRNCCTZLJRPATN-XMMPIXPASA-N 443.547 4.827 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC 2305315808 GTFBANLQDATLTD-OFVILXPXSA-N 430.589 4.945 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OC(=O)c2ccc(OC)c(OC)c2)c1 2314430025 URAPAHODDIYUBW-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C 2321346017 VPVLGNMWEAUMAI-WZOHSFFVSA-N 447.572 4.655 30 10 IJEE Cn1ncc(NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)c(Cl)c1=O 2322630946 RFVOKMLJBXBTJI-UHFFFAOYSA-N 436.874 4.751 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4ccccc4F)CC3)C2=O)c1 2324128430 WZAOXFSDOBSHCY-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325330371 ABYXSEAREZTTPP-LBPRGKRZSA-N 437.275 4.567 30 10 IJEE O=C(Cc1ccc(F)cc1F)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745288 JIHITQSRVQYSIF-UHFFFAOYSA-N 436.410 4.780 30 10 IJEE Cc1cc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)ccc1F 2325745425 MZKMCVMCSCXITP-UHFFFAOYSA-N 432.447 4.950 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2cccc(OC)c2OC)cc1 2327358455 MSGDWWVWKXSHBR-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccco1 2329819025 PIIWGVUGJWSMHC-UHFFFAOYSA-N 449.511 4.522 30 10 IJEE CCOc1cc(C=Nn2c(SCC)nnc2C2CCCC2)cc(Br)c1O 2331057063 SSFJOLRAMIZYGP-UHFFFAOYSA-N 439.379 4.797 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2331324526 LLCAHXLNKOUGQB-UHFFFAOYSA-N 437.370 4.974 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1cc(Cl)ccc1O)Nc1ccccc1 2331485743 WCVKFFLOLAFTJA-UHFFFAOYSA-N 441.944 4.518 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccccc1Cl 2331636767 YYJAEBZZWOYARB-UHFFFAOYSA-N 427.961 4.805 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339591885 IENJPMNHIPNZBK-IBGZPJMESA-N 443.397 4.832 30 10 IJEE C=C(CNC(C)(C)C)COCc1ccc(I)c(Br)c1 2350065001 OCBBMVOWISUWAB-UHFFFAOYSA-N 438.147 4.515 30 10 IJEE CC[C@@H](NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363841829 RWWXXNUUSHKRAD-SONWIMMPSA-N 446.444 4.547 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(N)C#Cc1ccc(Br)cc1 2380876488 WPWJTAAUJLBQMC-LFWOZUSOSA-N 433.390 4.602 30 10 IJEE CC(=NN=C1N=C(O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1)c1ccco1 1190568 YYGVLRXZYMZJPY-CQSZACIVSA-N 425.297 4.767 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 13644079 MTMNOVHODMEYGC-FXSPECFOSA-N 449.620 4.942 30 10 IJEE COc1ccc(COc2ccc(/C=N/Nc3n[nH]c(SC4CCCCC4)n3)o2)cc1 20424807 QVZSROTWDJKIDI-LPYMAVHISA-N 427.530 4.856 30 10 IJEE COC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)S/C(=C/c2ccc3c(c2)OCO3)C1=O 36257487 URBJGOVHMKKZLF-CXUHLZMHSA-N 449.406 4.588 30 10 IJEE CCCCn1c(O)c(C(=O)c2oc3ccc(Br)cc3c2C)c(C)c(C#N)c1=O 40522257 KZQPJRLFZKPMAW-UHFFFAOYSA-N 443.297 4.582 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(C)cc1 169944684 LPPZNPXJCAFLSP-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(O)cc2)cc1 169962588 DLOOUSRQFHSYDX-QHCPKHFHSA-N 445.471 4.588 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccncc2)c1 170025867 QCXROWKKRNDEAY-FQEVSTJZSA-N 433.533 4.550 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)c1 170169884 RHYNZZXWMSFNPV-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)c(C)c1 170228012 OFAZYBUXPDJWRD-XMMPIXPASA-N 441.483 4.858 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1 170234456 VTLLMZPTJHALLY-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170256671 BBBIYXOYIPPVRN-OAQYLSRUSA-N 430.485 4.714 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 170259240 BBWGDEOMENTIHU-HSZRJFAPSA-N 429.472 4.964 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cn(C)c2ccccc12 170269544 HTOGPYQPRGUVCO-OAQYLSRUSA-N 438.911 4.829 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2sccc2C)c1 170405069 JVMBYEJPLMFGTH-GOSISDBHSA-N 441.530 4.918 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCC 406135706 OWFVKKXAPDDTEQ-DLBZAZTESA-N 429.786 4.540 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446622651 FKQOLFZSMWSHLN-YMTQGWHGSA-N 426.948 4.569 30 10 IJEE C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1-c1ccc(Cl)cc1 506436401 FIHPIAAPRYQKQX-QGZVFWFLSA-N 431.923 4.714 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 508496397 DHZXLENGMVJMML-CYBMUJFWSA-N 447.406 4.625 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 508815196 YKDBQXCRWXDVBX-OAQYLSRUSA-N 440.494 4.543 30 10 IJEE N#CCSc1ccccc1NC(=O)CN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 549178296 RLWYYYVLBQYEMI-FQEVSTJZSA-N 437.462 4.830 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 609044543 IHIJJSXTGQRXIV-XMMPIXPASA-N 442.519 4.922 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)c1nc(C(=O)OCC)cs1 610225595 PHVZDFGCOVFEAL-CABCVRRESA-N 425.337 4.949 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Br 698460230 YOXAZMLXUXCXMT-ZDUSSCGKSA-N 440.338 4.607 30 10 IJEE Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)n1 732680192 AQEGALDYEHHNGZ-INIZCTEOSA-N 428.416 4.555 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN(C[C@H]2CCCO2)C2CCCC2)c1=S 742165641 JWVUDVFWIXOITB-LJQANCHMSA-N 446.592 4.699 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 745922271 JNQWTVUPSLSWFI-CQSZACIVSA-N 441.875 4.757 30 10 IJEE N#C[C@H]1CN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CCN1Cc1ccccc1 761745981 HXJFTPJOKDNKSV-GUBFPNNNSA-N 433.861 4.522 30 10 IJEE Cc1ccc[n+](/C(C(=S)N[C@@H]2CCc3ccccc3C2)=C(/O)c2ccc(C#N)cc2)c1 762437585 AXWVEWXOFPTODB-HSZRJFAPSA-O 426.565 4.513 30 10 IJEE CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)cc1 772645705 OODURKOQPNPUTL-QGZVFWFLSA-N 441.409 4.699 30 10 IJEE COc1ccc(CN[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1C#N 773084489 SNDKOVGITRGQNZ-RLWLMLJZSA-N 449.551 4.560 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(Cl)cc1Cl 787047899 DRYUCYWPLISJMQ-ZWMNYZCKSA-N 437.273 4.961 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(Br)s1 816913207 BSLHKYBFRDRKNN-UHFFFAOYSA-N 434.128 4.636 30 10 IJEE CCCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc3c(c2)OCO3)cc1 917612532 XAYKYSSVZZGSFZ-UHFFFAOYSA-O 444.536 4.850 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccccc1OC)c1ccc2c(c1)OCCO2 1124425990 OETKESRKQDGKSH-UHFFFAOYSA-N 445.515 4.807 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(OC)c(C3CC3)c2)c(C(=O)OCC)c1C 1124820576 IQOHJHMVRVQCMI-UHFFFAOYSA-N 443.521 4.714 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(OCC3CCCCC3)CC2)CCCN1C(=O)OC(C)(C)C 1126177266 BMKYJIWQHDJBFV-VWLOTQADSA-N 434.621 4.920 30 10 IJEE C=C(C)[C@H](NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)c1ccc(F)c(F)c1 1128248319 ABQARJCBOUPDPB-IBGZPJMESA-N 443.519 4.818 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1OCc1ccccc1Br 1128537813 DNSANHZEHJYQLA-HRAATJIYSA-N 430.342 4.739 30 10 IJEE CSc1nc(O)c(C(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2Cl)cc1C#N 1128549246 DISFBZYEWNYVHM-UHFFFAOYSA-N 435.889 4.600 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)COc2c(F)cccc2F)s1 1131012695 MMEPLPLVDLJKNF-LLVKDONJSA-N 432.945 4.701 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)CC2=O)cc1Cl 1136160452 GMAVHQIKKAQINU-JXFKEZNVSA-N 428.319 4.582 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1 1157857766 MTBOQCJKVXVUII-HNNXBMFYSA-N 442.478 4.647 30 10 IJEE C=CCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc([C@@H](C)CC)cc1 1165223081 TZLALUWUXGCTTG-HNNXBMFYSA-N 441.984 4.947 30 10 IJEE C=CCC[C@H](NCC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1168563603 MGYHZWVIRGPJQM-XXBNENTESA-N 445.529 4.945 30 10 IJEE C=CCn1c(SCC(=O)NCC2CCCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1187948855 XJSYITSVIZUSJX-HNNXBMFYSA-N 445.654 4.557 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)Cc1ccc(F)cc1 1190707838 OUEGOUFSUDIBDC-UHFFFAOYSA-N 438.506 4.752 30 10 IJEE C=CCOc1c(Br)cc(CNCc2noc3c2CC(C)(C)CC3)cc1OC 1203553461 HBFZDVHGBPFMNW-UHFFFAOYSA-N 435.362 4.815 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccc1 1213548911 SDYZUPRNMOFYCK-GOSISDBHSA-N 437.334 4.836 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H](C)CCc1ccc(I)cc1)c1ccccc1 1224390961 YTDWVPATYUUSCM-JXFKEZNVSA-N 446.332 4.676 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 1227880395 ILYBJVNHMRIVFF-UHFFFAOYSA-N 444.373 4.800 30 10 IJEE C=CCn1cc(CNC(=O)NCc2ccc(Cl)cc2Oc2ccc(Cl)c(C)c2)nn1 1230272127 PVKGLMYTQPGTDE-UHFFFAOYSA-N 446.338 4.871 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1 1230499297 UDRWCUYPKLXNIA-HKBOAZHASA-N 445.332 4.824 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1)c1ccc(Br)cc1 1252457868 GJBIGMRTLQIDDW-VQTJNVASSA-N 443.341 4.506 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cc(I)cc(Br)c1C 1270903003 FIVKJMCVYMXQOP-LBPRGKRZSA-N 434.115 4.543 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 1274101619 WHEJQQRNNYKYEC-QGZVFWFLSA-N 425.369 4.842 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccccc1[S@](=O)C(F)(F)F 1275389244 HZHIPWLTTRRUNB-SANMLTNESA-N 448.260 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCOC1CCCCCC1 1286280659 CMZLSWVDDVCKIY-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1286342867 FOUIBYJVQJTHTA-UHFFFAOYSA-N 447.627 4.540 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1286349189 UNOMCWUYUNKTBG-TZIWHRDSSA-N 433.556 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2cc(C)ccc2C)CC1 1286547048 MRUPRPHYFKPWSR-BKULYWANSA-N 437.632 4.716 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(F)(F)F 1286551816 NMURFDKEHFTHJJ-YLJYHZDGSA-N 445.489 4.863 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1286551924 JURZVRQPBMYCOE-NQAVQENRSA-N 437.588 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CCSC 1286560930 KKHUZRNBEJAEQS-FGSXEWAUSA-N 439.629 4.985 30 10 IJEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1286621938 KTQFJDAJZZKNSF-PKOBYXMFSA-N 443.979 4.620 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C)nc1 1286680521 CWGDCWNIDJLDHZ-UHFFFAOYSA-N 433.556 4.651 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1286739768 NVTNITUMHYQTLQ-NRFANRHFSA-N 437.632 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1nc(C)c(C)s1 1286748920 FXSDXGUDASOKHP-KRWDZBQOSA-N 429.615 4.548 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCO[C@H]1C(C)C 1286767054 DQYSWKHNALEUBH-QPPBQGQZSA-N 449.599 4.583 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286827745 YYXRQKGKNGFXBK-BEFAXECRSA-N 436.984 4.662 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)[C@@H]1C 1291175287 DMNZZDKRPKNLMQ-IAGOWNOFSA-N 429.515 4.789 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNC(=O)Cc1ccccc1)c1ccc(C)c(C)c1 1293122755 IUYYVOWZJAIFLG-UHFFFAOYSA-N 442.559 4.760 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1300338155 AEZNGMSOAVPDHP-OALUTQOASA-N 431.625 4.725 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 1300377451 VKFMSOUDCYYQCR-IBGZPJMESA-N 429.609 4.780 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C(C)C)N1CCCC1 1300430867 BFESZGQHABPMCS-RUZDIDTESA-N 444.627 4.542 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCOC[C@H]1C 1300569171 DUXQLDKQWUVGGV-ISKFKSNPSA-N 448.611 4.506 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1300733382 JRSFXFHOKQYVFL-RBUKOAKNSA-N 428.577 4.716 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2sccc2C1 1300746078 ODHROFHCVZQTIQ-UHFFFAOYSA-N 432.977 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(C)C)C1 1300893300 YKLSQIQIHSTZPN-FBLLAGFSSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1COc2ccccc21 1300900746 HLTUXQHQQNXDOZ-OAHLLOKOSA-N 442.361 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CC1(N2CCC(OC)CC2)CCCC1 1300907905 UBGPWCKLPWXSFB-UHFFFAOYSA-N 437.632 4.771 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1300960666 CLXBKPBQTIXBCX-HSZRJFAPSA-N 437.632 4.568 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1300971462 AGSQUEHFKSMKEQ-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)=C(Br)C1 1301026926 FFFOTZMNALAKQT-UHFFFAOYSA-N 429.149 4.625 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2ncc(C)s2)CC1 1301070077 LROBKFVAETVTNZ-ZDUSSCGKSA-N 447.406 4.761 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1301089054 PKCVSXKHXLQMNX-SFTDATJTSA-N 427.662 4.845 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 1301165997 NXTPMKHKHRFHSL-NFBKMPQASA-N 449.643 4.894 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1sc(C)nc1C 1301401358 AFABYYLUMYRAPC-UHFFFAOYSA-N 444.608 4.621 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCc1ccc(OC)c(F)c1 1301402126 JSYVVEMCUHDACY-UHFFFAOYSA-N 426.536 4.794 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2cccnc2)C(C)C)C1 1301545933 NTSPAPIVIYQDAE-ISKFKSNPSA-N 431.584 4.870 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1301615069 DVCLXZXAUUKKMC-IAGOWNOFSA-N 427.643 4.600 30 10 IJEE Cc1cc(N2CCC(CCNC(=O)OC(C)(C)C)CC2)n2c(nc3ccccc32)c1C#N 1307155090 GDJUDCAEWKEHIT-UHFFFAOYSA-N 433.556 4.799 30 10 IJEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1)C(C)(C)C 1315194594 GGLQHYKHKUYHQY-GOSISDBHSA-N 435.494 4.657 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)C1 1323758979 AQYUZEDXQWECGS-YLJYHZDGSA-N 433.321 4.664 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(I)cc1Cl 1350766309 WXYKJLUARZNFFM-UHFFFAOYSA-N 428.653 4.901 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4ccccc4)n3)cc2Cl)cc1 1358238059 HYLVHACCQMONNG-UHFFFAOYSA-N 429.867 4.901 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCn1ccnc1C 1358874054 RNDRCDOAHQDHHY-ROUUACIJSA-N 440.979 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(c2ccccc2)CC1 1358878389 VTGGHSZHQRTHJF-OAHLLOKOSA-N 441.398 4.959 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1358908279 ROEUGOQXOHXPAQ-YRWFTTLQSA-N 443.389 4.754 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1358909123 VCLXSSHPHIGUKB-GHTZIAJQSA-N 433.383 4.777 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1358916560 PIIVVDRELKREFQ-PKTZIBPZSA-N 436.600 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1359090757 GCDUZQDLTBVOMN-JTAQYXEDSA-N 440.588 4.741 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1359162182 HDTFJQQAPKUCBU-RBUKOAKNSA-N 444.023 4.884 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCN(CC)C2)CC1 1359168228 MJPHZCRFHYWPAC-JOCHJYFZSA-N 437.632 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N(CCO)Cc1ccc(Br)s1 1359183098 CRXKZZDUMRZEOS-UHFFFAOYSA-N 441.439 4.827 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(F)F)C1 1359201287 IVEGRMWVCJVJQI-SFHVURJKSA-N 426.515 4.969 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1359209385 LPQQDYYQAOPCGK-UHFFFAOYSA-N 442.514 4.630 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(F)F)cc1)C1CC1 1359248110 ASSMHTCCZGWTIB-UHFFFAOYSA-N 431.874 4.798 30 10 IJEE C=CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)CC=C)C1CC1 1359249887 UBFAFHRKFCUKAP-UHFFFAOYSA-N 446.599 4.993 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359310538 YVMKLYQYGCSOHI-UHFFFAOYSA-N 448.489 4.507 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)N(C)c2ccc(C#N)cc2)s1 1360679776 BWGKQEJMFBXPPZ-UHFFFAOYSA-N 428.311 4.729 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 1442182487 MUSKLDJXHNAPBO-WMZOPIPTSA-N 438.952 4.609 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1446786130 FTPFXPJXMHONAC-UHFFFAOYSA-N 445.951 4.667 30 10 IJEE N#Cc1ccc(CN2CC[C@H](NCc3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 1461470996 HOILFKGKDKNIGP-VWLOTQADSA-N 445.950 4.681 30 10 IJEE C=CCCCCCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1467873925 HCKVIEYHBYFNEU-IBGZPJMESA-N 439.369 4.836 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 1468478536 MUVBTEUJTHLPNK-JOCHJYFZSA-N 440.584 4.780 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(F)c(Br)cc1N 1468866969 IOGHHNIWXYVBLR-UHFFFAOYSA-N 444.098 4.750 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1sc(C)cc1Br 1470839225 LSNJJGSCCGGQID-UHFFFAOYSA-N 425.396 4.884 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 1478189097 HSQPZXAEXSKVSH-QGZVFWFLSA-N 430.483 4.852 30 10 IJEE CN(CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1)C1CCCC1 1503605286 HNBGBFLGBOEKSK-HSZRJFAPSA-N 426.996 4.603 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1505265908 AMGDTXMLKIMVNF-KRWDZBQOSA-N 437.979 4.772 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@H](C)C1CCC1 1507555297 LMJGRPOAWKYZGC-MRXNPFEDSA-N 432.410 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C(C)C 1507809246 IUWBWMKMFGWULP-UFYCRDLUSA-N 447.624 4.566 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCc1cccs1 1507815666 CNDPLSKQEDMORW-UHFFFAOYSA-N 434.407 4.753 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CCC(C)C)C1CC1 1507829822 HBINSBPOANRKQV-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)c2ncc(C)s2)CC1 1507886637 BPJIASYUFVFBIK-GOSISDBHSA-N 437.613 4.797 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1507892410 PRGOLQXZAPNHAO-OAQYLSRUSA-N 425.646 4.767 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1508032408 GEAUDIFTKAMUEK-GOSISDBHSA-N 443.592 4.677 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC(Oc2ncccc2F)CC1 1508165380 SZLCXGXIXNFLOH-UHFFFAOYSA-N 445.608 4.512 30 10 IJEE CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1CCCCC1 1508509905 CJQWZQSQNORFHH-UHFFFAOYSA-N 434.632 4.740 30 10 IJEE C=CCCCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 1518517229 PQGQLTHDUULEHR-UKILVPOCSA-N 436.552 4.661 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)cc2C1=O 1522209964 LIBGIVGOKJXHCE-UHFFFAOYSA-N 436.939 4.754 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1nn(-c2ccc(F)cc2)cc1Br 1522454579 RPUHHJNBGFOKEY-UHFFFAOYSA-N 431.261 4.730 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]2C2CCCCC2)nnc1-c1ccc(Cl)cc1 1524843107 KPRDBYBMRLURPB-RBUKOAKNSA-N 431.005 4.962 30 10 IJEE Cc1ncc(Br)c(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)n1 1526029702 DARJBZNYRRTLKK-UHFFFAOYSA-N 425.311 4.823 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 1529135531 NAGBJYILQQKBFC-UHFFFAOYSA-N 441.350 4.776 30 10 IJEE C=CC[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)c1ccccc1 1534268581 NBIDJXODKNWRCV-NFLAHJKKSA-N 439.581 4.578 30 10 IJEE C=CCC1(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)CCCCC1 1538497821 PHSQFKYVSGKMSM-OALUTQOASA-N 440.481 4.715 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 1539040544 WENOLHZPCODBMY-IEBWSBKVSA-N 445.489 4.505 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1539052701 RKTYBSQEXJKHSG-RXVVDRJESA-N 428.367 4.640 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1539103542 WVYDSEHVZNHFTO-AZUAARDMSA-N 442.007 4.533 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCSC(C)C 1539237693 IVPUAFFPZSALTF-UHFFFAOYSA-N 431.609 4.567 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@@](C)(CC)O1 1539250926 VHXQNIRHXSBJLJ-HTAPYJJXSA-N 431.367 4.672 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccccc2OC)n1C1CC(C(C)(C)C)C1 1539422772 KWBVGRVTRMRUPA-UHFFFAOYSA-N 442.629 4.662 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCC2(CCOCC2)C1 1539497453 MOKXQNRUKAZQBE-JOCHJYFZSA-N 438.641 4.583 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@](C)(CC)C1 1539729358 PGGNLGMLBHWUMX-HOYKHHGWSA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1539836869 YSIIHMQGCLSJTG-UHFFFAOYSA-N 444.482 4.856 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1539909190 IITYLOXYJBOQAU-IBGZPJMESA-N 429.996 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1539912423 IGGZYHKBLULECB-FQEVSTJZSA-N 433.556 4.609 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 1539931344 KHUYSBULXRVTEC-YTFSRNRJSA-N 435.616 4.793 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(F)c(F)c1 1539945351 NJJQHEPIQVGAAY-UHFFFAOYSA-N 443.498 4.515 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(F)cn2)CC1 1539959606 MEIBACZWKMWPHB-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NC1CCCCC1)C1CC1 1540112700 ZXERLHQCFLRBNA-UHFFFAOYSA-N 442.007 4.516 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)N1CCCC1 1541303232 CPJPWBQWARBXAY-NFBKMPQASA-N 434.632 4.810 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 1556476299 UQKOEOOPSQGDTI-WOJBJXKFSA-N 429.948 4.632 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C[C@@H](O)COc1cccc2[nH]ccc12 1559621602 BLHGOZHLMCZBMP-JOCHJYFZSA-N 429.495 4.934 30 10 IJEE C#CCOc1ccccc1NC(=O)N1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC 1562640298 JAGSAXRWSNPPKY-YADHBBJMSA-N 449.551 4.742 30 10 IJEE CC(C)(C)c1csc(NC(=O)N[C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1C#N 1562850890 DYFSEADGHFKZPJ-IBGZPJMESA-N 425.476 4.965 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1cc(C(F)(F)F)ccn1 1562929293 ORJFHAOBDPKRAX-UHFFFAOYSA-N 444.251 4.792 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2nc(Cc3ccccc3Br)cs2)c1 1583297773 AGMMQKMAHLCWRE-UHFFFAOYSA-N 441.354 4.686 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCC1(C)C 1588104908 CSVQUUFJMVGHFD-IBGZPJMESA-N 439.401 4.915 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(C)(C)O 1589162161 BMEJIAOQQSLUOR-AREMUKBSSA-N 431.584 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1cscc1C(F)(F)F 1589198003 NTELQYRAMPPEBI-HXUWFJFHSA-N 431.487 4.769 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCOC2CCCC2)CC1 1594202431 POHSDHRDNWISKN-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C1CCC1 1594461298 PKRXTSKAPYCYDV-NRFANRHFSA-N 442.629 4.720 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H]1CSC 1594497231 CXRIDHASWTXFNW-PXNSSMCTSA-N 428.602 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1594504466 SZGBZORTGWGSIR-UHFFFAOYSA-N 449.643 4.618 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1csc(CC)n1)C1CC1 1595021103 TYJSUSOOGXRGAJ-HNNXBMFYSA-N 427.549 4.779 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(C)nc1-c1ccccc1OC 1596886016 BJPBYHWHJJZYCQ-UHFFFAOYSA-N 442.313 4.675 30 10 IJEE CC#CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1597830973 ZTHYPQXETDUKNA-UHFFFAOYSA-N 426.582 4.545 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(F)cc(N3C[C@H](C)O[C@H](C)C3)c2)cc1OC 1616211568 ILCGJBPERFGERJ-CUIRVFPJSA-N 440.515 4.665 30 10 IJEE Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)nn1-c1cccc(C(F)(F)F)c1 1616384675 DDFRNTHQAZNEJZ-UHFFFAOYSA-N 428.414 4.867 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 1621787454 PDKRGSZYUIHDGH-UHFFFAOYSA-N 425.392 4.698 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@@]3(O)CCc4ccccc43)cc2Cl)c1 1623028403 IAVKZTITADUURN-VWLOTQADSA-N 447.922 4.746 30 10 IJEE C=CCn1cc(C(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(F)c(Cl)c2)nn1 1625780180 ITLNHLBUPRFVNL-UHFFFAOYSA-N 435.286 4.975 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1628462329 YDZDZHATZWCJIU-RRMPHLOHSA-N 435.524 4.837 30 10 IJEE C#CC[C@@H](NC(=O)N(C[C@H](O)COc1cccc2ccccc12)C(C)C)c1ccccc1 1633351034 JJELEYMKWOLLMJ-UKILVPOCSA-N 430.548 4.764 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1 1636558111 UPQCWFXEADBQGO-SBHAEUEKSA-N 445.991 4.693 30 10 IJEE C=CC1(CC(=O)Nc2cc(C)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 1636905431 HMXBSXSOYARCQV-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE C#C[C@H](NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1)c1ccc(Cl)cc1 1637296789 LZDIMDSOMWSACR-SFHVURJKSA-N 443.931 4.547 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1OCc1ccccc1 1637796303 FTZRMRHAGXTRFW-UGKGYDQZSA-N 436.552 4.750 30 10 IJEE CCc1nc(C#N)cc(N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 1642226492 DXSRCDWPPSOAET-JOCHJYFZSA-N 432.572 4.604 30 10 IJEE C=CCN(CC(=O)Nc1cc(-c2cc(C)cc(C)c2)nn1-c1ccccc1)[C@@H](C)COC 1643803255 PMARQSWGXVDHJB-NRFANRHFSA-N 432.568 4.618 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1 1644410606 DVJSGNNQPZTRCD-QHCPKHFHSA-N 443.595 4.873 30 10 IJEE C#CCN1CCN(C(=O)c2ccc(N[C@H](C)c3cc(Cl)ccc3Cl)c(C)c2)CC1 1648424901 CSGHCQVNZWZXQA-QGZVFWFLSA-N 430.379 4.866 30 10 IJEE C=CCn1c(SCc2ccc(Br)c(F)c2F)nc2sccc2c1=O 1652469203 GGEOXDRUCPWVKJ-UHFFFAOYSA-N 429.311 4.977 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1 1653113890 NNWVMQUAZWNTNZ-HXUWFJFHSA-N 449.860 4.729 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H]1CCN(c2ccccc2Cl)C1 1656610394 SCGCOXHIQUSABN-INIZCTEOSA-N 433.777 4.731 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(Br)ccc1OC 1657440940 JAWOKIRFCXHQAB-UHFFFAOYSA-N 439.147 4.522 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)c1 1658978843 CSRLDFWSFIUWJK-UWXQAFAOSA-N 434.536 4.921 30 10 IJEE CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F 1659807329 BLGDFQFZWJPEFC-UHFFFAOYSA-N 445.356 4.954 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br 1660552280 ZARKXUDSZWAOLH-PBHICJAKSA-N 439.350 4.507 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)cc1 1662540465 DGKLBCHXCGUJMG-UHFFFAOYSA-N 443.732 4.650 30 10 IJEE C=CCCS(=O)(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1664306065 OAFILIYSZNKZGB-UHFFFAOYSA-N 428.323 4.718 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 1668389477 NGBOOXBPKLDRGJ-OAQYLSRUSA-N 448.523 4.821 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1670826394 DTIMUVFZVVZSOF-MIALQEHNSA-N 427.511 4.510 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2n1 1675013162 UFZGRTKLCGSOPL-SFHVURJKSA-N 441.482 4.614 30 10 IJEE C#CCN(C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1)[C@@H]1CCCc2ccccc21 1675707953 OOZSPJVEXGFJSN-JOCHJYFZSA-N 432.503 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 1677148985 NSSZMTWTSVBRTI-BDTNDASRSA-N 445.604 4.656 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(C)cc1 1684426251 VLFMIUXNRUGZIL-LJQANCHMSA-N 445.357 4.730 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Cc2nc(CC)cs2)CC1)c1ccc(Br)cc1 1686921089 BBAYIXUHCFCLRQ-LJQANCHMSA-N 446.414 4.807 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOCCC(C)C 1689838285 XERALMFPNPQSAT-GOSISDBHSA-N 447.421 4.927 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1689940138 ORERAEAGBNZLDK-OXQOHEQNSA-N 431.005 4.641 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1690227689 FELNUZKMVIEQQB-UHFFFAOYSA-N 426.362 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)c1ccsc1 1690271057 BUODXTQHHADARL-HSZRJFAPSA-N 426.586 4.537 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1690294709 XHVCVFUJMFHREI-OAQYLSRUSA-N 438.616 4.984 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1690350674 RPZZOSKNGDYPLO-AWEZNQCLSA-N 441.409 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690419327 NSXFWXVGZPTLGZ-OAHLLOKOSA-N 429.531 4.578 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccs2)CC1 1690424575 SROJNLCJKTWFFP-UHFFFAOYSA-N 447.612 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1690426548 RRHWBNLVOGEUQO-JOCHJYFZSA-N 431.584 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1690435239 WAOHHQQBFKFQBX-NZQKXSOJSA-N 431.584 4.833 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690466126 YKNCVASGAXHMCK-UHFFFAOYSA-N 439.604 4.591 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690477864 JKEWAWOZBDKUAP-UXHICEINSA-N 439.604 4.959 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1690478971 PQXZRNXEOIJXFD-LJQANCHMSA-N 437.613 4.865 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1690508666 MWRDQUMXDSSOAA-FQEVSTJZSA-N 432.996 4.691 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC[C@H]1C[C@H](F)C1 1690560375 SPILKROIQJOEAL-XYWHTSSQSA-N 430.531 4.851 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1Cc1ccc(N2CCCCC2)nc1 1690589896 FWZINQKMJVOYEE-UHFFFAOYSA-N 428.584 4.866 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1690749524 GRVAKKOKRJJPEI-OAQYLSRUSA-N 440.638 4.736 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)C1CCCCC1 1690997210 GELKNNXAKUKSMD-FQEVSTJZSA-N 445.615 4.744 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCC1CCOCC1 1705509274 GDTHZNAGWAEPDK-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1Cc1csc(C)c1 1705590615 QXVCJSTVYGBYEX-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1705689311 JAWTZTKTCZBDLE-GOSISDBHSA-N 442.361 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C)[C@H]1C 1705695240 AWUXVWKPLQOCQL-QXOCSCLMSA-N 432.515 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1nc2ccccc2s1 1705703486 UVKUXFNLRWRBIY-HTAPYJJXSA-N 425.602 4.704 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccccc2)CC1 1705886191 ZXOPMIBILJOPLD-FGZHOGPDSA-N 438.616 4.567 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCC(C)(C)C2)c2ccccc2n1 1707251044 BFESZTNALKFZMJ-HXUWFJFHSA-N 445.615 4.662 30 10 IJEE CC1CCN(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H](C)CC#N)CC1 1708141342 BWQFRVLSHCEYDA-RBUKOAKNSA-N 445.011 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccsc1Br 1722275680 CYMWKBBWTNSHEE-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CCOC)CCCCC1 1722280715 XYFFACMDVRRWAB-SFHVURJKSA-N 446.542 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)CCC(C)C 1722304502 YMRWSVMKVNKUBC-IBVKSMDESA-N 440.632 4.800 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 1722318277 BSFMYVJHFYHXOW-NHCUHLMSSA-N 443.636 4.678 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1722332889 FFNMHWPWKJAXOV-HSZRJFAPSA-N 436.600 4.921 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCCSC 1722374620 YUEIKVHLQUZQAV-UHFFFAOYSA-N 431.609 4.569 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1722492902 FQHVGMUJFAMVJN-RHSMWYFYSA-N 431.334 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCn2ccnc2C1 1722500652 JYQJFRSIWCOHCO-FGZHOGPDSA-N 448.615 4.896 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1CC 1722512846 NAJODLFPFMQALP-PMACEKPBSA-N 448.615 4.904 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1 1722537045 UDHIOPLSSHUOQK-INIZCTEOSA-N 439.050 4.758 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCc2sccc2C1 1722553781 AYBIUXNJLFUMJK-UHFFFAOYSA-N 428.989 4.839 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H](C)N2CCCCC2)CC1 1722560645 HECYWFBEYHTCSG-IBGZPJMESA-N 445.558 4.967 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CC2=CCCOC2)CC1 1722575952 CVGRFYQFSRHXLM-UHFFFAOYSA-N 435.391 4.518 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)(C)C)CC1 1722608707 KRAUJENUHUXMNU-OAQYLSRUSA-N 425.621 4.922 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722622327 HYECOWPBLKIPJM-IBGZPJMESA-N 443.617 4.560 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2ccccn2)CC1 1722623025 POYMPUJXYDSCIO-UHFFFAOYSA-N 434.613 4.567 30 10 IJEE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCSCC1 1722732908 SEGDVVBNXHPGJU-UHFFFAOYSA-N 439.654 4.825 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](C)C2)CCS1 1726512574 DTXWUIFQTSFELQ-UZKOGDIHSA-N 439.629 4.743 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)COC 1740532244 CUUFUZPBUJYPFS-QZTJIDSGSA-N 432.996 4.819 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1ccc(C)cc1 1740540175 YJDUVOCAJMIJST-SJORKVTESA-N 440.389 4.616 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cccc(C)c1 1740664138 GAUMVCAAWPEUPB-IBGZPJMESA-N 434.609 4.978 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1C(F)(F)C12CCC2 1740664687 YWADNXKEPHJDMY-MRXNPFEDSA-N 435.316 4.603 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N(C)Cc1ccc(Cl)s1 1740720045 PEQDKBGQLBVMAM-UHFFFAOYSA-N 431.030 4.781 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1740822457 QOSASTBVJGFRMD-GOSISDBHSA-N 444.352 4.913 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCC(F)(F)C2)CC1 1740828876 BAYGXKPHABVQPC-SFHVURJKSA-N 432.515 4.848 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(C)CCCO2)CC1 1740837648 ZDMMAWQQFZWIBO-VWLOTQADSA-N 440.588 4.712 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740857022 ANTDEIFRKKEMSX-FGZHOGPDSA-N 437.588 4.651 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740866473 FGKULXASUFBGQB-AQNXPRMDSA-N 431.625 4.887 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1 1740879198 DLNIRKONYWGFKL-UHFFFAOYSA-N 440.979 4.594 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 1740905715 FWQDRZRSZSREQV-NJNPRVFISA-N 426.536 4.693 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2CCC(OC)CC2)C1 1740977070 CLFNJUHUVAVJBX-MHJFOBGBSA-N 445.007 4.975 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1741409241 DJAWUVUAXZJZSN-UTKZUKDTSA-N 445.970 4.929 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1ccccc1F 1748735400 RKGMZVMJNJYDDU-UHFFFAOYSA-N 430.325 4.615 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1748743416 ASMXAPKICQFJEC-MRXNPFEDSA-N 446.452 4.554 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1748943914 FRMISHALHVWGNM-ISKFKSNPSA-N 447.558 4.570 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(CCC)CCc1cccs1 1749105322 CRMCIHVXIFYOGP-UHFFFAOYSA-N 446.418 4.693 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CC2)n1CCc1ccc(OC)c(Br)c1 1749163310 GJKARVIOOXZYNW-UHFFFAOYSA-N 433.394 4.647 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1nccs1 1749217041 YFEMDTVRVJKDKM-INIZCTEOSA-N 443.642 4.817 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](C)N2CCCCC2)CC1 1749335664 SHPAXUBVRPKPAV-GOSISDBHSA-N 429.012 4.660 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749390489 GNYORMGALOHTHV-FQEVSTJZSA-N 438.576 4.522 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1COC 1749553206 GBVQJQVLCSGKNQ-JOCHJYFZSA-N 438.597 4.969 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(C)(C)C)C1 1749749756 PLCGAKAHXPNDGQ-GOSISDBHSA-N 428.602 4.508 30 10 IJEE C=CCSCCn1c(N2CCC(N3CCc4ccccc43)CC2)nnc1C(C)(C)C 1749763581 COFWNGXLGUKUKL-UHFFFAOYSA-N 425.646 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(NC(C)=O)cc1 1760103576 IGAFMQICPWNAKG-IAGOWNOFSA-N 447.608 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(O)CCCCCC1 1760122380 KOXXFZICEVWRJA-HXUWFJFHSA-N 438.616 4.698 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1coc2ccccc12 1760167047 AEOCLHZFAKUYQC-UHFFFAOYSA-N 427.327 4.633 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCC1=CCCCC1 1760178029 WLYKGJLAGKRVGL-UHFFFAOYSA-N 429.362 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1cccc(OCCC)c1 1760295544 DSABHCIWXZAONU-RUZDIDTESA-N 434.609 4.954 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1760308582 KWBLHNLOKSWVJW-OAHLLOKOSA-N 438.439 4.788 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCCCC1 1760319538 OKIGEICQHIAKTP-WMZHIEFXSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1760330166 UQJFQBVGYDAKAL-RBUKOAKNSA-N 444.551 4.503 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCc1ccc(OC)cc1 1760348541 BCVMWZYTKVIEDJ-FGZHOGPDSA-N 426.605 4.850 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCCOC2)C1 1760413244 BSGXNNKTKOQIRD-XMMPIXPASA-N 430.543 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccccc2N2CCOCC2)nnc1C(C)(C)C 1760416111 UZZIAYUCHKVYCO-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](COC)C1)c1ccccc1 1760418063 MEZQXPYZECHNQN-GMAHTHKFSA-N 431.584 4.871 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1760418575 VEZGQKDUBRLQLF-HSZRJFAPSA-N 441.583 4.861 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1Cc1cc(C(C)(C)C)no1 1760481882 KKJSEZFMPULFFN-UHFFFAOYSA-N 430.556 4.810 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(C)(C)O 1760487815 FANZLZKZVQMGRE-RTBURBONSA-N 432.634 4.612 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)OCCc2sccc21 1761358891 IBMOHWCHFKFLLQ-IVZQSRNASA-N 441.988 4.886 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1C(=O)O 1857890199 LYLSOJDXYVYSFJ-UHFFFAOYSA-N 428.529 4.541 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(N(C)C)cc1 1862545565 CVHWTYXTOGMDFJ-XMMPIXPASA-N 432.564 4.866 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862619828 CWEAENYXFXEMFU-NRFANRHFSA-N 435.520 4.759 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(Cl)cccc1Cl 1862633312 JPBHLWXTWVZENH-GOSISDBHSA-N 434.275 4.709 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1862736463 YLKBZZMHCCPCLN-OAQYLSRUSA-N 432.407 4.512 30 10 IJEE CCCCCCCOc1cccc2c1C(=O)N(CCc1ccc(OC)c(OC)c1)C2=O 1865810326 ATSWZAGQDFRALT-UHFFFAOYSA-N 425.525 4.892 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc(O)c3cccc(C(C)(C)C)c3n2)c(C#N)c1C 1866518489 FCIUHLFIKCHCAR-UHFFFAOYSA-N 437.521 4.909 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2c(F)cccc2Cl)cc1 1867929033 SUJBPBLSNGFPIM-YADHBBJMSA-N 449.913 4.510 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C 1868846342 BMMSDDNVSKITJF-KNQAVFIVSA-N 435.406 4.674 30 10 IJEE COc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1OC 1870137760 YURIZZLASNBNAG-UHFFFAOYSA-N 433.512 4.655 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1F 1870144925 NVVHZILBXSXHEA-UHFFFAOYSA-N 441.894 4.654 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870148091 VCTVTGXXZFXFOP-LJQANCHMSA-N 445.885 4.896 30 10 IJEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccccc1 1870232828 LSQCLSDCLOFHLL-UHFFFAOYSA-N 447.604 4.933 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1Cc1ccncc1 1870379932 VGCKTQVYGVPAKE-UHFFFAOYSA-N 443.591 4.970 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1Cc1ccc(F)cc1 1870623666 VDOMIIQWJLDGDC-UHFFFAOYSA-N 436.502 4.928 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccccc1 1870945272 KAAXPPKEETXRQF-UHFFFAOYSA-N 427.589 4.724 30 10 IJEE CCc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCOC 1871251203 SICHRSDZCVTQMN-UHFFFAOYSA-N 431.536 4.510 30 10 IJEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(OC)c(OC)cc1OC)C3=O 1871352090 OVQADTKVYSMWEZ-GRKWUUPQSA-N 439.508 4.587 30 10 IJEE COc1cccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)c1OC 1871396442 GAZXWKRZHYMZKP-DBYZZWJSSA-N 437.536 4.812 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2C1=O 1871435996 IZQRGMCGTJEPIF-OFNOZLENSA-N 430.485 4.950 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 1871763191 VTANABHWETVCIP-QFIPXVFZSA-N 432.561 4.898 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1cccs1 1871909295 XRHMPVCGRPOTOL-LJQANCHMSA-N 436.599 4.521 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(C)(=O)=O 1872215834 RSAAPXMELCBHLO-FDDCHVKYSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 1872319270 BBUSUAREACGCDA-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE CCCOc1ccc(/C=N/Nc2cnn(-c3ccc(C)cc3)c(=O)c2Br)cc1 1873526320 YWUYLGNQEXIUCW-YDZHTSKRSA-N 441.329 4.538 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCC)cc2)cc2c(NCCc3ccccc3)ncnc21 1873606775 CJDOHJFIPRXCPZ-UHFFFAOYSA-N 441.535 4.923 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccccn1 1874240897 FAGNAEMJAXNHAJ-WGOQTCKBSA-N 445.548 4.825 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccccc1OC(C)C 1874293757 SJCRZCQVUYUROP-BUVRLJJBSA-N 438.553 4.813 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(O)c(OCC)c1 1874299961 BENCFZUATJJPPD-ZVHZXABRSA-N 438.553 4.739 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccccc1 1874390213 AWAGPSRCVWVYKF-NLRVBDNBSA-N 449.624 4.800 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NCc2ccco2)cc1 1874580026 UOFBOTDQLMGXCJ-SDNWHVSQSA-N 449.503 4.668 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)COc1nc(Br)c(Br)s1 1893349087 WUSIMIUKVSVHFR-UHFFFAOYSA-N 442.173 4.518 30 10 IJEE C=C(C(=O)O)[C@@H](Cc1ccc(OC)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951600091 HQJZXKVVZZDJJD-RUZDIDTESA-N 443.499 4.786 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)ccc2Cl)C1 2062969196 JROGTWHXOHNGBH-UHFFFAOYSA-N 429.742 4.902 30 10 IJEE Cc1ccc([C@H](C)n2nc(C3(C)CC3)c(C#N)c2I)c(F)c1F 2079925504 NPMWENNWNQAOFN-JTQLQIEISA-N 427.236 4.607 30 10 IJEE CC(=O)Oc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080102731 XZIVHZNCLVGFID-AWEZNQCLSA-N 430.224 4.707 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2cc(Br)ccc2C#N)CC1 2106959373 ODTFIHCPVMBMSU-MRXNPFEDSA-N 426.330 4.718 30 10 IJEE CCN(c1cc(Br)cnc1C#N)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174709775 JQLXYOWFBNLYDK-RHSMWYFYSA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(c2cccc(Br)c2C#N)CC1 2174769130 XGXQPVRGVRVDCH-OAHLLOKOSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1 2180916945 COJYNYDMZFWALO-HIFRSBDPSA-N 436.350 4.733 30 10 IJEE C[C@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)cc2C#N)C1 2181142727 ZNGZZZHEKRKQKB-RNODOKPDSA-N 436.350 4.733 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2 2185919881 MJXJACPZXUMNQZ-KRWDZBQOSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C#Cc2ccccc2Br)C12CCCC2 2235734058 PYYFLKZOVITBRV-KRWDZBQOSA-N 432.358 4.940 30 10 IJEE C=CCCC1(C(=O)Cc2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266276529 LNLPSOHOBXIFBS-UHFFFAOYSA-N 426.326 4.903 30 10 IJEE C=C[C@@H]1COCCN1[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2269838888 LHZXVSSAIMVPFR-CLJLJLNGSA-N 444.575 4.731 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(Br)cnc2C#N)C[C@@H]2CCCC[C@H]21 2279684653 NLEGIUHFLDRHIA-YSVLISHTSA-N 436.350 4.663 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@@H](O)C#CC1CCCCC1 2289787178 QFAMTFPYXSJHTP-PMACEKPBSA-N 436.390 4.830 30 10 IJEE CCN[C@@H](C#Cc1cccnc1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2295832262 BWZNYXUZIHAHBU-SFHVURJKSA-N 430.346 4.893 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1(N(C)C(=O)OC(C)(C)C)CCCC1 2296277162 OWZIRTOMCNWVES-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H](C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2296280909 FPVFKTYYZGRRPS-SMOSDQRPSA-N 435.406 4.670 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](F)[C@@H](C)CNC(=O)OC(C)(C)C 2296299327 UDWSZMXFZSGTOX-KFKAGJAMSA-N 441.385 4.668 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2296307392 UBENSGHRDAIGET-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE C=CCC(CC=C)[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2301034631 PLZLVZAJUXTWIQ-QHCPKHFHSA-N 427.633 4.902 30 10 IJEE CCCCCCOc1c(OC)cc(C=NS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2318414906 IKIKKLNBXPKJQI-UHFFFAOYSA-N 434.514 4.679 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(NC(=O)OC(C)(C)C)CCOCC2)c1 2318701060 RGKUCMQYDAEMOB-LJQANCHMSA-N 445.560 4.703 30 10 IJEE CCCC[C@H](CC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319673394 BFSWSDKYMVXVQI-HXOBKFHXSA-N 438.418 4.545 30 10 IJEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 2321934999 HCGDUHSGDFGUJX-UHFFFAOYSA-N 444.506 4.903 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccc([N+](=O)[O-])c2)C4=O)cc1 2321944946 VVAYHSGJDTZDGB-UHFFFAOYSA-N 444.443 4.572 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2322687547 YVKGTVRUFKGRAO-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCOc1c(Br)cc(C=NNc2nc3ccccc3[nH]2)cc1Br 2323306855 UXDCTAZZUXFCRZ-UHFFFAOYSA-N 438.123 4.933 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2323721453 VPVRFTOQPLNISW-UHFFFAOYSA-N 446.450 4.797 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(Cl)c1)C2=O 2325075907 LLVWBVPHQISHLU-OAHLLOKOSA-N 430.884 4.612 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325627949 HKRDMZIOLGGGIH-ZDUSSCGKSA-N 436.445 4.679 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccco2)C3=O)cc1Cl 2325710679 IXLQSPBFIIDYSE-UHFFFAOYSA-N 425.824 4.575 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2326689066 XDWXQIGLPHCSAC-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccccc1C(=O)O 2328846267 ITXGASLDNZTDOS-UHFFFAOYSA-N 436.537 4.723 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2ccco2)cc1 2329258379 PWQGGFZOOFMUMK-UHFFFAOYSA-N 449.492 4.553 30 10 IJEE CCOc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 2329672138 ASVCYWIYVXQNJQ-VWNXMTODSA-N 449.595 4.907 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1c[nH]c2ccccc12 2330303115 AMXDSIKMKGOPFU-UHFFFAOYSA-N 439.585 4.810 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2)n1N=Cc1cc(Br)ccc1O 2330671385 IYSUJSRRVLNMMQ-UHFFFAOYSA-N 429.343 4.964 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2[C@@H]2CCCO2)cc1 2330929571 KWPRZWCZFCXMEM-NRFANRHFSA-N 449.580 4.613 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C2CCCC2)c1 2331020563 ZMRGHCBXYZXIOY-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Br)c1OC(C)=O 2331103613 GFYWESALGJVEKP-UHFFFAOYSA-N 425.225 4.947 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2-c2ccco2)ccc1OCCc1ccccc1 2331165460 NGGAYYQSYAHHNF-UHFFFAOYSA-N 434.521 4.772 30 10 IJEE COCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(Br)c1 2331259892 NZXKWOJEAMUDBW-UHFFFAOYSA-N 449.349 4.543 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)cc1 2331381144 OJGQMOFWQWFMCG-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(C)cc1 2331434170 FUTOSYFMRGFTBO-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE Cc1cccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C2CCC2)c1 2331535257 ATOLCTDAAULAKP-UHFFFAOYSA-N 430.537 4.677 30 10 IJEE CC#CCN(C[C@H](NCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 2337910039 MHPQHIHYHFOTOM-KRWDZBQOSA-N 427.358 4.808 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585777 UQOOCFOEYZPWNF-WKWPXIAWSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339595274 HXEXFRSNQBXDTE-HFDGNCGESA-N 443.397 4.974 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(C#N)(Nc2ccc(Br)cc2)C1 2340417401 IUBSULXOOUWCBJ-UHFFFAOYSA-N 434.256 4.743 30 10 IJEE Cc1scc(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c1Br 2343489571 XNDPPVZQZHBFBE-SGTLLEGYSA-N 426.185 4.517 30 10 IJEE CC1(C)OB(c2cc(Nc3cccc(Cl)c3Br)ncc2F)OC1(C)C 2345741450 QAHUUQUHPLLUAG-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CCC(CC=C)OC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2360214379 IAJGAZDRKIAXPP-GOSISDBHSA-N 438.362 4.949 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364735010 WJTKNLJDIPYXDZ-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c1 3042810 WSRUFKYXBUARDV-QYQHSDTDSA-N 432.524 4.680 30 10 IJEE N#CCCn1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc21 15598141 KMUAPOOUEHBBEG-CRWWQRIJSA-N 427.504 4.703 30 10 IJEE C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S/C1=N/c1cccnc1Cl 39863964 ZCGISVLSOHJLNX-YAGPLZKVSA-N 445.928 4.551 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 40844609 YUSHQSWAVWEKRO-UHFFFAOYSA-N 443.411 4.594 30 10 IJEE CCOc1ccc(/C=N/Nc2nc(SCc3cccc(Br)c3)n[nH]2)cc1 59014616 GFAPITYWARCEPV-RGVLZGJSSA-N 432.347 4.704 30 10 IJEE COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCc3nonc3N)n2)cc1 59392647 KAXNVVQFGMFCHX-UHFFFAOYSA-N 445.504 4.562 30 10 IJEE C/C(=N/OCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1)c1ccc2c(c1)OCO2 59857679 CQSYCYPDAGFBAR-ONUIUJJFSA-N 437.492 4.630 30 10 IJEE Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@H](C#N)c1ccc(F)cc1F 111029606 LSJCWCREISTIQQ-HXUWFJFHSA-N 449.288 4.998 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926133 ZBSKVHCIYSCDIY-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2OC)cc1 169946296 LSLRUJGXMYGWJX-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(O)cc2)c1 169959083 XWVCYUPECDCUHV-DEOSSOPVSA-N 441.483 4.727 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169959754 BJFCPHODMYVDPT-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@H]3c3cccnc3)nc2c1 170014322 NMJZUMHSRINFPE-HXUWFJFHSA-N 444.878 4.703 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2F)cc1 170069805 JRJJGVZPASYIBM-IBGZPJMESA-N 438.480 4.691 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)c1 170140494 ARNPTFBZVCEANU-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccs1 170160165 QSLOALVVERPZQM-KRWDZBQOSA-N 426.519 4.613 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccs2)cc1 170160398 YWVPUNLBWQKBKF-OAQYLSRUSA-N 435.501 4.944 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)c1 170161008 SNJUYYWIIAITLC-NRFANRHFSA-N 430.485 4.801 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccncc1 170206269 JTJRYEPIHKPWRA-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(OCC)cc1 170214534 ATZIOFHYEKAADC-IBGZPJMESA-N 428.554 4.927 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1C 170230199 GFAOHRKOGSSULJ-REWPJTCUSA-N 435.520 4.541 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3cccc(O)c3)ccc2O1 170258287 LLCPWXXFUOIIDI-LFVRLGFBSA-N 445.446 4.638 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccc(O)c1 170262209 CYEDABUAXKWIDP-QFIPXVFZSA-N 437.536 4.613 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccco2)cc1OC 170297028 PSBBNDMJRVLNJN-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccc(C)o2)c1 170297903 SVCJIOULPVPPJU-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1sccc1C 170317783 SDPASWBRZAITHA-FQEVSTJZSA-N 425.550 4.550 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170362463 VPIDSLSCBUWLFE-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CC(C)[C@@H](NC(=O)/C=C\c1cn(CCC#N)c2ccccc12)c1nc(-c2ccncc2)no1 207544888 YTWJZFUKBBNMLZ-UFTUAFODSA-N 440.507 4.527 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)ccc(F)c1Br 407124621 PWWINRXDMRITKV-PBHICJAKSA-N 431.321 4.685 30 10 IJEE C=CCN(C(=O)CN[C@H]1CCOC[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 433174324 MZHDRYCFRHHKJF-GUYCJALGSA-N 440.396 4.651 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCOC1 461678518 AQKAUEQGVRNFIX-HXUWFJFHSA-N 433.943 4.699 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1 523948412 WIFGHRZYVZQSRV-OAQYLSRUSA-N 431.879 4.539 30 10 IJEE COc1ccccc1[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 555152105 HJQWWLUWXBSCBU-HSZRJFAPSA-N 435.531 4.868 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 555262096 GIWPVSDXHCQQPJ-HXUWFJFHSA-N 448.958 4.888 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)CCN1 585826287 QNSLHIMYKNIPFC-HRZVIGLNSA-N 441.959 4.653 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 669807695 CNOYIHCGEMLUML-DHLKQENFSA-N 432.568 4.690 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(CN2CCCCCC2)CC1 669808730 RYSBQMNJZRXDGE-DQEYMECFSA-N 449.643 4.802 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)/C=C\c1cnc2ccccc2n1 749135839 OJLKBYWPQRYNGW-NTMALXAHSA-N 426.289 4.759 30 10 IJEE N#CC[C@H](CC(=O)OCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccccc1 795990859 MJOFNYPJWLROGG-BVAGGSTKSA-N 438.527 4.791 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1cccc2ccccc12 1084043641 SEKAAFODXXPCHV-FEXFLLFCSA-N 428.521 4.800 30 10 IJEE Cc1sc(NC(=O)COc2ccc(C#N)c(Br)c2)nc1-c1ccccc1 1124606291 GZTFTILDRTVTIZ-UHFFFAOYSA-N 428.311 4.770 30 10 IJEE C=CC1(CC(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)CCCCC1 1124619919 JFBCKVMCMALRCQ-UHFFFAOYSA-N 433.599 4.546 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)CCCN1C(=O)OC(C)(C)C 1128141731 OVLVPTBUIUPSNT-VWQFJMCTSA-N 448.991 4.974 30 10 IJEE COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cc(C#N)c2ccccc2n1 1128831937 IFNMJUOZANUASE-INIZCTEOSA-N 438.325 4.703 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)n(-c2ccc(C#N)cc2)n1 1128923486 CALZDNJECMFYLI-UHFFFAOYSA-N 445.914 4.528 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H](OC)c2ccccc2Br)C(F)(F)F)cc1 1128968387 KXTVDPIBAMAYNI-DLBZAZTESA-N 427.216 4.965 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccc(Br)cc1Cl 1129306910 GPTGRPKTCUCMAX-CYBMUJFWSA-N 435.749 4.835 30 10 IJEE C=CCc1ccc(OCC(=O)NC2(c3ccccc3Br)CCC2)c(OC)c1 1130684516 KEVPOCCOODDDNZ-UHFFFAOYSA-N 430.342 4.761 30 10 IJEE C=C[C@H](OC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1)c1ccccc1 1130934945 ZZBVICFMKLESAI-WMQCIHAUSA-N 443.565 4.636 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc3c2OC(C)(C)CC3=O)CCCN1C(=O)OC(C)(C)C 1131878541 KXLVCERBGNYJCY-XMMPIXPASA-N 428.529 4.715 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)cc2n1 1134291588 YOYRBLYCGGBFGJ-OALUTQOASA-N 446.551 4.643 30 10 IJEE C=C(C)CN(CC)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1136098811 LVABBLNVIZGJMW-HXUWFJFHSA-N 425.367 4.614 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1136307802 GKBKEJHSPQNUJB-KRWDZBQOSA-N 433.961 4.633 30 10 IJEE C#C[C@@H](NC(=O)c1c(-n2cccc2)sc2c1CCC2)c1ccc(Br)cc1 1141461576 YVZKMDDLZISYFV-QGZVFWFLSA-N 425.351 4.894 30 10 IJEE Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(Sc4ccccc4C#N)cc3)C2=O)cc1 1156528106 CCDMHJUPLQVSIM-HSZRJFAPSA-N 441.556 4.549 30 10 IJEE C=CCn1c(SCc2cc(Br)c3c(c2)OCO3)nnc1-c1cccs1 1165788604 AHAIQANBHPFCQR-UHFFFAOYSA-N 436.356 4.976 30 10 IJEE C#CCN(CCCOc1ccc(C#N)cc1)[C@H]1CCOc2ccc(Br)cc21 1167420448 FNNBWQVRENKKNZ-NRFANRHFSA-N 425.326 4.549 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 1181305286 OILDKAFCJQQSKU-UXHICEINSA-N 427.589 4.948 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 1201299680 XRIHWZBFIGOUPR-UHFFFAOYSA-N 434.467 4.747 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(C(C)(C)C)nc1O 1206203493 RHFUQQAWNKABCH-UHFFFAOYSA-N 434.334 4.734 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1)c1ccccc1 1224521682 IHCGNWKNLLMMEG-FCHUYYIVSA-N 425.960 4.951 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1)c1ccc(F)c(F)c1 1234556725 WFVSVMSQODGJFC-HXOBKFHXSA-N 445.510 4.885 30 10 IJEE N#Cc1ccc(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)cc1Br 1272170825 BYOVAZVANOOBRR-UHFFFAOYSA-N 437.175 4.642 30 10 IJEE N#Cc1sc(NC(=O)c2cc(Oc3cccc(Br)c3)ccn2)nc1Cl 1272289323 CHJFKSNWEFSRAV-UHFFFAOYSA-N 435.690 4.870 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC1(C)C 1286421467 FDLCQPZTKQQSSV-FQEVSTJZSA-N 429.593 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)C)CC1 1286564798 YVQKKTWRVSIAPH-KNQAVFIVSA-N 444.023 4.500 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC(c2ccsc2)CC1 1286610895 CXDHTYRMAOJGRX-UHFFFAOYSA-N 428.627 4.969 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2c(C)noc2C)CC1 1286640889 OTRARSYAKMEKHN-UHFFFAOYSA-N 442.361 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1286651709 JDXSLRSHSVHPQZ-UXHICEINSA-N 441.595 4.692 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1286699407 CALOBDMDPMWETR-GOSISDBHSA-N 433.641 4.963 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1ccc(Cl)nc1 1286740050 CARFACHCELKTTB-UHFFFAOYSA-N 448.958 4.582 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@H](C)C1 1286748605 XKZRGLPHFJXPOS-PMACEKPBSA-N 436.579 4.725 30 10 IJEE C=CCc1ccc(OCC(=O)N(c2ccc(Cl)cc2C)[C@H]2CCO[C@H]2C)c(OC)c1 1288051805 VJORKWYXKUHCDH-UWJYYQICSA-N 429.944 4.975 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1297798347 CDRLZXKYCGVSMW-KRWDZBQOSA-N 425.326 4.721 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](CC(C)C)N(C)C 1300274990 OLINJZHWSHOXOO-NLWGTHIKSA-N 432.012 4.506 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(F)cccc1SC 1300329608 RDNXJLBZRWNWRS-JXXFODFXSA-N 430.593 4.564 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCSC 1300513088 VMLROLMEIZKIPQ-SFHVURJKSA-N 431.005 4.514 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1300886040 VEXQWXNRUWGNCR-IRLDBZIGSA-N 439.560 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CC1(SC)CCN(C)CC1 1300905469 RJOGVJQXZLSEBI-UHFFFAOYSA-N 439.629 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC)c(OC)c1 1300905705 CZIHFRIFXLDQEE-UHFFFAOYSA-N 441.963 4.656 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1301000370 RZHJEUOUWJWELN-UHFFFAOYSA-N 442.604 4.542 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1301135003 QMWGQEZXXHHURU-UQBPGWFLSA-N 426.605 4.619 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301148110 LHKMSSDITQFBGJ-PMACEKPBSA-N 443.661 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1301153874 GYJMGVJLJNDLBR-NRFANRHFSA-N 426.580 4.863 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2Br)n1CC1(C)COC1 1301168059 KZTGCPWJTYVXGE-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1ccsc1 1301272130 BZBFDJKHWADCFS-JPYJTQIMSA-N 426.586 4.626 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1cscc1C(F)(F)F)C1CC1 1301329380 FMSKVZRERZNEET-UHFFFAOYSA-N 439.532 4.917 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCN1CCC[C@@H](C)C1 1301351629 WYKPIQNFFXEHFM-HXUWFJFHSA-N 425.596 4.999 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1 1301360227 YGHQNGYDBYFJOD-NRFANRHFSA-N 447.029 4.721 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1)C(C)C 1301367882 VGLOPPLJTMNJEZ-FGZHOGPDSA-N 442.677 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC12CCOCC2 1301375467 NUCQMEJHRWHKCO-GOSISDBHSA-N 443.389 4.703 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1301614958 BNMJIHNOPMETKR-HXUWFJFHSA-N 444.645 4.581 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)OC 1305700724 BEPIKHZJHLTYAI-GCJKJVERSA-N 439.604 4.662 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)cc1 1310304124 WNXNSJRGIARHOX-UHFFFAOYSA-N 432.430 4.613 30 10 IJEE COc1cc(OC)cc(Oc2ccc(CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)c1 1311725642 CBGPHQBQBAAUJR-KRWDZBQOSA-N 431.492 4.928 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CCc1sccc1C 1315322872 BNJUDDGQYFSTEK-UHFFFAOYSA-N 441.988 4.960 30 10 IJEE CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C#N)cc1)N(C)C 1355667814 HQOBWJYIAKOJJJ-JOCHJYFZSA-N 448.394 4.859 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C)cc1OC 1358972875 WLCBGNDWPKTNMJ-UHFFFAOYSA-N 444.604 4.714 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)c1cccs1 1358982063 IHXOQHKJRWEUHA-UHFFFAOYSA-N 432.593 4.586 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](c1ccco1)N1CCCC1 1359000888 GUKYJNOJPVTAIX-PKTZIBPZSA-N 431.584 4.710 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1cccnc1 1359004515 YYZPWPDGMKFEBW-UHFFFAOYSA-N 431.540 4.910 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CCCS1 1359016860 NTIMYWACSOFVGA-REWPJTCUSA-N 428.577 4.584 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C(C)(C)C)C1 1359053653 UBLDNSOCHDACSF-MRXNPFEDSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N(C)C1CC1 1359074841 SNTJTAIYXNLMQQ-GAJHUEQPSA-N 444.048 4.699 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1359145744 BCDUNMWPEGRTJD-INIZCTEOSA-N 432.330 4.954 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359148774 BZYJRPUJFBWUTR-MRXNPFEDSA-N 430.339 4.712 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359158909 HVWRPMDZKBAINA-SIKLNZKXSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1359187450 NSDUYJPVHMFMMB-OAHLLOKOSA-N 442.514 4.678 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1359198993 HTEDHNKPUIDYNH-UHFFFAOYSA-N 449.555 4.662 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359201754 YRIOGAIVGMBQSH-UHFFFAOYSA-N 445.611 4.887 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1359213408 UJNBPXYKIGLSSV-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SCC)C1 1359223324 IBCPXFXVRRUDFP-NRFANRHFSA-N 425.602 4.521 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1359223951 AZXOIULHKDYDOZ-LJQANCHMSA-N 441.938 4.719 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1359231940 JINGDGJJIXJKTG-RTBURBONSA-N 429.584 4.690 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[C@H]1C)C1CC1 1359250773 UHUKQYUHUZQZFZ-UYAOXDASSA-N 443.636 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(F)(F)F 1359268000 ZNOCEOJKLCGXNB-UHFFFAOYSA-N 432.288 4.803 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccnc(SCC)c2)C1 1359315696 ABUIGFFANDKWMS-JOCHJYFZSA-N 449.624 4.844 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 1360227721 FNHGDYSWFJQCJZ-OAHLLOKOSA-N 443.573 4.856 30 10 IJEE C=CCCCCCN(C)C(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 1360895187 SWGFXHQMKFNODI-UHFFFAOYSA-N 427.010 4.526 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)CN(C(=O)OC(C)(C)C)C1 1443655752 QMLVFWPVYQGOCD-GOSISDBHSA-N 439.556 4.733 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)COc3ccc(-c4ccccc4)cc3Cl)CCO2)c1 1447210213 CCAIGTVLGRVCQT-DEOSSOPVSA-N 432.907 4.858 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=C)C)c1 1448021242 HQZQXSPJRZDCKV-UHFFFAOYSA-N 439.364 4.681 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1448612443 KHDAGHIHLLVBKG-RPBOFIJWSA-N 432.564 4.714 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c(Cl)c1 1456612745 JKJDCVWBZNFNIA-UHFFFAOYSA-N 442.899 4.822 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)NC[C@H](NCc3ccccc3)C(F)(F)F)c2)cc1 1457812083 FMBCVEJONBZBAJ-QFIPXVFZSA-N 439.437 4.801 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 1458176516 UQHNNDOLEUFRBI-KUHUBIRLSA-N 430.426 4.514 30 10 IJEE N#Cc1cc(Cl)cc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 1459124728 HSDISLJDSHYJJI-UHFFFAOYSA-N 445.950 4.524 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 1460781358 NLOBKTFHBOZMEE-FQEVSTJZSA-N 445.357 4.715 30 10 IJEE C=C1CCC(CNC(=O)c2cc(Br)cc(I)c2)CC1 1462675203 PYRWHPMXGBOKKA-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE C#CCN(C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@@H]1CCCc2ccccc21 1463020375 SNRBYAXNDVVWCY-RPWUZVMVSA-N 432.564 4.867 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CCC1 1464001638 LBBSQSLGZGJHJO-QHCPKHFHSA-N 438.955 4.953 30 10 IJEE C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Sc1ccc(Br)cc1 1464914815 HURMVGOCXXVDQR-AWEZNQCLSA-N 433.371 4.775 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc(C(F)(F)F)no3)cc2Cl)cc1 1465349779 CNYRTTCWEGHOEG-UHFFFAOYSA-N 437.765 4.727 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)CCCN1C(=O)OC(C)(C)C 1467465013 WBZWMCAUSMZMHZ-BPYKYCOYSA-N 444.572 4.653 30 10 IJEE C=CCCCCCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1467873927 HCKVIEYHBYFNEU-LJQANCHMSA-N 439.369 4.836 30 10 IJEE C=CC[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1)c1ccccc1 1469846179 SPUFFSNCJQZWFY-MLCQCVOFSA-N 442.600 4.657 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 1471400027 SGOWUTQIIXELSH-XMMPIXPASA-N 444.579 4.564 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1 1476606222 ABNSLDXPONHOQL-PGRDOPGGSA-N 425.579 4.886 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1477864049 PPENXFVRZDKTST-VXKWHMMOSA-N 429.967 4.930 30 10 IJEE C#C[C@H](NC(=O)NCCCO[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1 1477920339 HMXBQLFVTHDHMW-FCHUYYIVSA-N 441.369 4.907 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)n1 1492636731 FRUUBYDJZHPHLD-QMHKHESXSA-N 431.569 4.515 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N1CCCC1 1500040325 IDDBFRIPAZNSKE-SIKLNZKXSA-N 432.572 4.872 30 10 IJEE CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(F)(F)F)cs1 1503582675 FJGQWYNEJQQVJB-UHFFFAOYSA-N 446.502 4.771 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1507659653 BZFGHSMVSSEKIN-UKILVPOCSA-N 431.628 4.557 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)c1nccs1 1507662206 FJNPWXIEFOGISO-ZWKOTPCHSA-N 449.649 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1507818389 WTALRUZESHBLBV-FDDCHVKYSA-N 448.970 4.868 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)CN1CCCC1 1507821561 GYTXTHHHERXVEA-UHFFFAOYSA-N 434.632 4.806 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H]1CC=CCC1 1507838157 LDJDMIZEDZTMLN-SFHVURJKSA-N 430.980 4.992 30 10 IJEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C/C(C)=C/c1ccccc1 1507870195 FUCNAGFETXBNNJ-FOWTUZBSSA-N 441.988 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C(C)C)C1 1507910791 ASBLLUKPVFIDMO-OAQYLSRUSA-N 442.629 4.896 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1507935330 NRFSSYQALMUIEY-UHFFFAOYSA-N 449.643 4.964 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1ncc(C)s1 1507976787 IJWNNPNWGNNUMU-ZDUSSCGKSA-N 432.391 4.898 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1507988181 KBBSHLZBJFHVRZ-WZONZLPQSA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507998691 IFHOZEYNCWOGMC-WNXIRNOKSA-N 449.599 4.788 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OCC 1508006634 ISLMCQWCTHFQTF-HXUWFJFHSA-N 439.585 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1cccc(Cl)c1C 1508006845 NEEGGHQLRNVDNX-UHFFFAOYSA-N 436.972 4.999 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@@H](O)C1 1508033777 OPKURJJNKSUNBS-FYYLOGMGSA-N 434.584 4.557 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCSC2)c1 1510584651 FXACLZUALGADHK-GBXCKJPGSA-N 439.629 4.747 30 10 IJEE CCN(CC)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N 1515575930 BZQXIOAAJHJLOX-SFHVURJKSA-N 428.650 4.603 30 10 IJEE C=CCCC[C@@H](C(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1)c1ccccc1 1524354042 IVQSZKZCMLUNPH-HYBUGGRVSA-N 440.609 4.571 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C(C)=O)o1)c1ccc2c(c1)OCCO2 1530677634 HVVRFRDZLAWPLR-UHFFFAOYSA-N 433.460 4.665 30 10 IJEE N#Cc1ccc(N(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C2CCC2)cc1 1533351646 DGRLQNJBRHBHBU-UHFFFAOYSA-N 426.307 4.704 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN(CC3CC3)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1533498501 QRRJOCCOZOIYKQ-VWLOTQADSA-N 425.573 4.595 30 10 IJEE C=CCc1cc(C(=O)N[C@H](CC)Cc2ccc(Br)cc2)cc(OC)c1OC 1533736369 MKIKTECXRKVULO-LJQANCHMSA-N 432.358 4.946 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCC[C@H]3c3ccccc3C(F)(F)F)C2)c(F)c1 1534016643 DRNVXPMWFAMQLM-MDKPJZGXSA-N 445.460 4.995 30 10 IJEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1535469877 DMBYOJLXHXGOAW-YADHBBJMSA-N 439.559 4.872 30 10 IJEE C#CC[C@@H](NC(=O)Cc1cc(OCC)c(OCC)cc1Br)c1ccccc1 1535926340 RYTITDCMGLGYEK-LJQANCHMSA-N 430.342 4.670 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 1538120349 HWLJUKCBITWXJH-HUUCEWRRSA-N 442.478 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)c1c(C)noc1C 1538983900 YTPRYABCRWGTJF-XHSDSOJGSA-N 437.613 4.998 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1539094736 URYBYRIGSZFMHB-AZUAARDMSA-N 442.991 4.738 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1539750122 HAZCITSSQYYLNK-UHFFFAOYSA-N 428.474 4.864 30 10 IJEE C=C(Cl)Cn1c(N2CCc3sccc3[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1539820776 QRMZLESHESNBOQ-UWJYYQICSA-N 437.009 4.647 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCC[C@@H]1C 1539945305 NBKLWSRWNJPKOP-KIVTUJJHSA-N 440.588 4.524 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](CC)C1 1540005371 KSBLMJKJUVEVPZ-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cc(C)cc(OC)c1 1540143547 ZRUCJNJXGAJWRM-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCCSC1 1541151848 HNYNNVULHDOVNU-LJQANCHMSA-N 439.629 4.638 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)C1 1541375775 BPNAZRFSYNLJOH-ZJSXRUAMSA-N 434.632 4.954 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1541379687 AFUOLAFBNZLRTD-SFHVURJKSA-N 435.601 4.639 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(F)(F)F)cc2)C1 1541989206 HXZUTCXNAJBBIX-OAQYLSRUSA-N 426.446 4.537 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 1543245427 ULXZGZCGUMQGHQ-QGZVFWFLSA-N 431.583 4.848 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)C[C@@H]1C 1544457717 HCQGCZGQESQRQQ-UXHICEINSA-N 444.583 4.584 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2F)nc2sc3c(c2c1=O)CCCC3 1559330673 KJZNIKROYNJQDB-GOSISDBHSA-N 444.553 4.668 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 1561074967 QSRZXZMTOUJMRY-IHPCNDPISA-N 426.534 4.627 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Cl 1561484770 AJCCQQWUQOKCEX-UHFFFAOYSA-N 430.751 4.801 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c1C#N 1562850892 DYWNQQKKCHDSQK-UHFFFAOYSA-N 438.597 4.616 30 10 IJEE C=CC[C@@H](NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)C(=O)OCC 1567456887 JPKTZEVCSJIODU-QGZVFWFLSA-N 446.334 4.634 30 10 IJEE C=CCN(C(=O)c1ccc(C(F)(F)F)c(OC)c1)[C@H](Cc1ccccc1)C(=O)OCC 1585014768 AKKJIYLOLPPTIW-LJQANCHMSA-N 435.442 4.517 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC(c3cccc(Br)c3)CC2)c(OC)c1 1586011423 RDPSTBXEGNGXKB-UHFFFAOYSA-N 444.369 4.971 30 10 IJEE COc1ccccc1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)s1 1586961796 DEQVOPVKUCWZTI-UHFFFAOYSA-N 437.546 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(CC)(CC)SC 1587556044 MEDBBCZPQJCOLA-SFHVURJKSA-N 427.618 4.527 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCO[C@H]1C(C)C 1587932709 ZKSZYNWWODWMQH-SVMVAKDDSA-N 426.630 4.652 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1593711836 JRTAMMLXECLORF-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)CN2CCCC2)CC1 1594133955 HKGACOCQPMLLKI-OAQYLSRUSA-N 425.646 4.767 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1594226991 WHBMJSLKRPITCJ-UHFFFAOYSA-N 443.473 4.818 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1594241468 RDTPUEYIDUATGJ-MBSDFSHPSA-N 428.527 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC=C(Br)C1 1594461355 QNYGBSVZJGEATI-UHFFFAOYSA-N 446.349 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1594522101 WCJWDSHVXJSDTM-QFIPXVFZSA-N 434.588 4.577 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1594704480 YGOWJSAZVPJTJX-HXUWFJFHSA-N 431.544 4.673 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1Cc1cc(COC(C)(C)C)on1)C1CC1 1595043758 DQTPTNRARHWGOL-UHFFFAOYSA-N 425.508 4.590 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1ccn(C)n1 1595178799 OYIODPRLGNVEKU-UHFFFAOYSA-N 438.988 4.968 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(F)cc2)n1Cc1ccnc(C(F)(F)F)c1 1595229084 MMUZLXNRIUIJBW-UHFFFAOYSA-N 447.436 4.637 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1595838161 MSQVFFQTTJLSDR-DFNIBXOVSA-N 449.665 4.687 30 10 IJEE C=CCn1cnnc1SCCCOc1c(Br)cccc1Br 1613374508 IFMKBHKHRGMSGC-UHFFFAOYSA-N 433.169 4.550 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccnc(Oc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1616631434 HBPYFGHMKNHIIG-RUZDIDTESA-N 437.540 4.836 30 10 IJEE C#C[C@@H](NS(=O)(=O)CCCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1F 1622121322 DOCBYGQDNCCHLC-GOSISDBHSA-N 433.854 4.724 30 10 IJEE C=C(CNC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)c1ccccc1 1625805076 GKOVWBCNYVQBMZ-GOSISDBHSA-N 448.485 4.759 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)c1ccccc1 1627436038 SETRJWDGWSCSED-HHHXNRCGSA-N 444.354 4.797 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(Cc3c(C)noc3C)Cc3c(C)noc3C)cc21 1627742647 LKUUQMLGRBMEKG-UHFFFAOYSA-N 434.500 4.666 30 10 IJEE C#C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1628400532 IJRRKDSRMQCZQP-UTKZUKDTSA-N 428.001 4.556 30 10 IJEE Cc1ccc(C2=CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)cn1 1631646420 CHAUECPNJARJEA-UHFFFAOYSA-N 425.536 4.714 30 10 IJEE Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@H](CC#N)C3)c2)cc1C 1632699736 HIQCCPXIBNRCNW-QGZVFWFLSA-N 445.972 4.524 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](O)c1ccc(Cl)c(Cl)c1 1643572874 GCPNICCCGHUPHB-SFHVURJKSA-N 441.428 4.625 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 1648409723 SCHLQPFNGKBEMZ-MRXNPFEDSA-N 432.492 4.809 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccccc2Cl)nc2sc3c(c2c1=O)CCC3 1652447058 DYBYBOWTCXTKSJ-KRWDZBQOSA-N 446.981 4.793 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1C(F)(F)F 1653545612 BKAWGRZGWYWUQG-UHFFFAOYSA-N 448.388 4.949 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(Br)cc(Br)c1OCC 1656162539 DURLYFZCTUHLSK-MLGOLLRUSA-N 433.184 4.681 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(C)nc2N2CCCC2)cc1OC 1657762463 AQXLEXWNBVEAGN-UHFFFAOYSA-N 446.389 4.616 30 10 IJEE C=CCCSCCNCc1nc(N(C)C)n(-c2ccc(Br)cc2)c1Cl 1658514862 JXIAKSFXDZYCHC-UHFFFAOYSA-N 443.842 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br 1660552283 ZARKXUDSZWAOLH-YOEHRIQHSA-N 439.350 4.507 30 10 IJEE C=CCOc1ccc(CNCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1 1662432938 NRDIFOHRCGPRAZ-FQEVSTJZSA-N 426.557 4.692 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 1662881426 AZNBXPMUKHFUJJ-UHFFFAOYSA-N 427.328 4.713 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2c3ccccc3CN2C)cc1OCC 1663091621 OMTFRHIMSUUCAW-FQEVSTJZSA-N 431.374 4.689 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@H](C)CCC[C@H]2C)C1 1665469046 HTVDMHDOIGIBKJ-GUDVDZBRSA-N 443.588 4.927 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1Cc2cccc(Br)c2C[C@@H]1CC)C(C)C 1665702192 ZBRIWZWHYVBDLU-SIKLNZKXSA-N 448.449 4.994 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1 1666555938 OFEUDXFDKWJCAE-NRFANRHFSA-N 444.325 4.637 30 10 IJEE C#CCC1(O)CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 1668778129 FMRAULSPFAUSBQ-NRFANRHFSA-N 449.353 4.976 30 10 IJEE CC(C)(C)c1csc(NC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c1C#N 1672201528 ATAPBCXPAVELPD-UHFFFAOYSA-N 433.537 4.886 30 10 IJEE CC(=O)c1cccc(NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 1672420983 PMQMYKDGNOSLRI-RYUDHWBXSA-N 430.295 4.524 30 10 IJEE C#Cc1ccc(NC(=O)NCC[C@H]2C(=O)N(Cc3ccccc3C)N=C2CC)c(Cl)c1 1673380407 AHIJVRHNUBZTJH-LJQANCHMSA-N 436.943 4.566 30 10 IJEE C#CCN(C(=O)Nc1ccc(Nc2ccccc2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1673699855 LHZXISBTLABVTN-UHFFFAOYSA-N 449.555 4.692 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC(c3nc(C)c(C(=O)OCC)s3)CC2)c1 1673782181 FRUATHZXNRPXST-UHFFFAOYSA-N 429.542 4.605 30 10 IJEE CCCC[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 1678225132 FVSKYTQVGNNXBQ-QFIPXVFZSA-N 437.519 4.617 30 10 IJEE C=CCCC[C@@H](NC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 1679651297 SJZHQPHEJWMRLU-RUZDIDTESA-N 433.596 4.865 30 10 IJEE C#CC[C@H](NC(=O)N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccccc1 1680515886 VFAORCDYTJLEAX-UKILVPOCSA-N 432.495 4.996 30 10 IJEE C=C(C)[C@H](NC(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1680709588 MLYIXJXMUFAKAG-IBGZPJMESA-N 437.531 4.918 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(OCCN2C[C@@H](C)[C@@H](C)C2)cc1 1685932450 WOAYMOBQKWBINB-BEZYRKKYSA-N 427.633 4.630 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)cc1 1686427473 QEKUBZYGURXNAT-GFCCVEGCSA-N 425.273 4.853 30 10 IJEE C#CCCCCn1c(N(C)[C@H](C)c2cc3ccccc3o2)nnc1[C@]1(OCC)CCOC1 1689907051 ZJOHJWXLCCYBJN-CLOONOSVSA-N 436.556 4.677 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OC)[C@@H](C)CC 1690037485 WPNGGHQBGWEAED-IRFCIJBXSA-N 438.641 4.655 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(N(C)C)CCCC1 1690060692 FTPFJBPQZYBFJZ-UHFFFAOYSA-N 448.640 4.711 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@@H]21 1690320572 XGKLBLTUKBJJKQ-YUMYIRISSA-N 430.637 4.948 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C)c1ccccc1 1690322475 GXOHRRRKICZFLD-NFBKMPQASA-N 435.616 4.780 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCSC2(C)C)CC1 1690367530 SAMAVZHQYYALLZ-GOSISDBHSA-N 428.602 4.650 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCCCCC2)CC1 1690414571 BRMVQOZBVUGOJQ-UHFFFAOYSA-N 438.616 4.560 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690467369 UYNRIECVYJZCSM-ICSRJNTNSA-N 436.522 4.966 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCN(CC)CC 1690518776 UYFSHSQYIKCNGT-UHFFFAOYSA-N 440.817 4.715 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCc1csc(C(C)(C)C)n1 1690533675 RLIXUZNVULBOMB-UHFFFAOYSA-N 429.565 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1690599068 LOFNKVCVAFDHMX-GBXCKJPGSA-N 448.640 4.587 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(F)(F)F 1690607183 GLCKHMUQCNYRJN-UHFFFAOYSA-N 443.429 4.991 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=C)Br)C1 1690686264 LCOITRAEZZTQJF-OALUTQOASA-N 431.378 4.510 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)c2c(C)noc2C)c1 1692974145 GSFJXVYSLHAWQA-GOSISDBHSA-N 448.571 4.622 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1694243408 DFPPBPSZKWKRBQ-XUVXKRRUSA-N 439.604 4.805 30 10 IJEE CCO[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)C(C)C 1696011851 BXYJYXQWRCJGLT-JOCHJYFZSA-N 439.604 4.806 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1 1696536564 APQBZEQLZUMCIM-SFTDATJTSA-N 441.645 4.990 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N(CC)C(C)C 1705683328 DIKJWXCSQUUGRF-UHFFFAOYSA-N 428.172 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cnc(C)s1 1705697749 NHCQKDXISJBOID-XLIONFOSSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(CCC)Cc1ccc(F)cc1C 1705699428 GUUASYBTBBQFFL-XJUOHMSHSA-N 442.579 4.627 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nccc(C(F)F)n2)CC1 1705777842 QRLDYFGKWWKJNM-UHFFFAOYSA-N 448.880 4.916 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705821429 WSNNWGHVGRVXPN-IRLDBZIGSA-N 427.662 4.987 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705822510 HQZDJEUPGBSIGH-QFIPXVFZSA-N 434.588 4.687 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705949215 RUCXHHPGFRTHKX-TZIWHRDSSA-N 444.670 4.803 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C(C)C 1706447698 DAZUNRMFAVVNFH-WIOPSUGQSA-N 439.604 4.541 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN1CCCC1 1712792643 BHXHJYROZNHABN-LJQANCHMSA-N 440.661 4.517 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)S[C@H](C)C1 1722339022 QFDIMBQKJSGPLC-KDURUIRLSA-N 447.048 4.995 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](OC)c1ccccc1 1722379848 NYSBHMLCEJISMZ-QFIPXVFZSA-N 444.604 4.736 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1 1722487454 QLOGVOMQQSZLDI-GOSISDBHSA-N 444.402 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@@H](C)C1 1722507036 WYGBAZRWPOPOIJ-QZTJIDSGSA-N 428.577 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(CCC)Cc1ccc(F)cc1F 1722580621 LOCCJEXQGXMPMK-UHFFFAOYSA-N 445.558 4.811 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCC[C@@H]21 1722623197 AUZMSOGJDSRUBJ-MJGOQNOKSA-N 431.378 4.597 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1nc(C)cs1 1722653730 CUUVJXXHXQHFGA-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)OC 1722674390 CAWSKODAXDDLHH-IBGZPJMESA-N 431.540 4.665 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2cccnc2)C1 1722716984 BESMSCCGDMSJDQ-SFHVURJKSA-N 444.366 4.671 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N 1723235075 AGGNEXXSUQGORC-WDYCEAGBSA-N 446.393 4.507 30 10 IJEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCSC2)cc1C 1724417585 GBHMXOLXFBVLON-NRFANRHFSA-N 439.629 4.747 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740567899 XGORLZXEWXDHLK-WPFOTENUSA-N 436.600 4.986 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(C)(C)C(F)(F)F 1740642341 VIPRDSKBBYMDMR-UHFFFAOYSA-N 446.517 4.950 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1CC 1740675597 SPMZBMQBKJJIFX-ZCNNSNEGSA-N 429.609 4.636 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CCC1 1740765977 FHWKXCZQDAGMBP-XMSQKQJNSA-N 430.980 4.728 30 10 IJEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCC(C(F)(F)F)CC2)CC1 1740824626 PSIDTVFJZQIBAA-AOCRQIFASA-N 430.515 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1740845247 JIYLUDFINREFEU-LJQANCHMSA-N 425.968 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1740851790 CNADCKYPDLHORO-HSZRJFAPSA-N 430.980 4.730 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](OCCC)CC1 1740859252 IJGYOMBMIKXFHP-FQEVSTJZSA-N 426.561 4.816 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@]1(C)CCCS1 1740915284 AGTHVYPCRWNTFG-DEOSSOPVSA-N 435.597 4.827 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCc2nccn2C1 1740926053 QOTNHJCUBFQTFP-VXKWHMMOSA-N 446.599 4.672 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C)c1 1740934342 YSAJCJLNCABCQG-NRFANRHFSA-N 437.588 4.885 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCc1sccc1C 1740938634 JLOYSPLPQLSXKL-UHFFFAOYSA-N 434.968 4.989 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@](C)(CC)O1 1748651034 HRFMHBMMDNQWIN-KSMMKXTCSA-N 437.407 4.575 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1748723934 DGFMLGOERNTCRB-HSZRJFAPSA-N 438.616 4.819 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(c2ccnn2C)CC1 1748738856 RGPFAABPIGDNBH-UHFFFAOYSA-N 443.382 4.783 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCc2sccc2C1 1748739943 LMYKKHOYTCWDAE-UHFFFAOYSA-N 433.400 4.807 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCN1CCCC[C@@H]1CC 1748867864 NKTIMLPHEKSJQI-LOSJGSFVSA-N 431.628 4.547 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(F)(F)Br 1748917680 ILNPDFBSCJZGQG-UHFFFAOYSA-N 425.321 4.690 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](OC)[C@H](C)CC 1749080304 LBJTWFZFJDEUHI-NHCICSSKSA-N 426.630 4.932 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ncc(CC)s1 1749132691 CDBZCNHSQZXOJK-DYESRHJHSA-N 443.642 4.567 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749252199 OTEGSIQFOYHZTF-KWCYVHTRSA-N 432.849 4.944 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1749366235 AHLFMDAXJDRFMC-VXKWHMMOSA-N 440.588 4.709 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnn2ccccc12 1749560646 SZTPEQLOFNCDCF-SFHVURJKSA-N 448.958 4.946 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1Cc1nc2cc(Cl)ccc2s1 1749576789 WHUORKARINWOKC-UHFFFAOYSA-N 436.972 4.754 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](N2CCCC2)C1 1749606427 XGJGAGOVFJHKPY-CTNGQTDRSA-N 444.023 4.939 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F)C1CCCC1 1750819212 BRIBNQGTZSJBHT-UHFFFAOYSA-N 439.514 4.862 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1ccsc1 1760223262 BJNHUXDEUVAXBY-UHFFFAOYSA-N 446.620 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(O)CCCC1 1760330695 BPDAUACBJFTITA-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760347090 BVXJVSWULIIDOO-VQTJNVASSA-N 446.039 4.747 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCCN2CC)CC1 1760385279 OWKJJEPXBMXHEX-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760433195 BICILWRPSVTSGG-MSOLQXFVSA-N 431.378 4.537 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC(F)(F)F 1760433546 IAOVDBHDAABGJD-UHFFFAOYSA-N 433.272 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(F)ccc2Br)n1CC=C 1760498343 NVXZELNRZYSYJK-UHFFFAOYSA-N 431.309 4.861 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccsc1 1760501291 MFJDJWJZPMDARM-HSZRJFAPSA-N 428.602 4.664 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCCC2(F)F)C1 1760549580 HOLOWDDNXMYECM-SFTDATJTSA-N 430.543 4.670 30 10 IJEE CC[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1NC(=O)OC(C)(C)C 1763489065 HEHAHBBQOGSFCH-IAGOWNOFSA-N 426.565 4.783 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C\c3ccccc3F)C(=O)N2Cc2ccco2)cc1 1772759776 YFRRKBYYPKONDT-SRUQFNRKSA-N 448.523 4.991 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)OCc3ccccc3)c2)sc2c1CCC2 1860134464 BUZSDKKVMIOYED-UHFFFAOYSA-N 447.516 4.875 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862475737 TUDNFKQQYRNFQJ-XMMPIXPASA-N 427.500 4.912 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862479235 BNOFRWSNGRXMFR-QHCPKHFHSA-N 435.520 4.925 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862666917 OMVKAIRSJIRPSR-MWTRTKDXSA-N 435.520 4.958 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCN2CCCC2)cc1 1862674093 JKRIDWXZWXVHDS-QHCPKHFHSA-N 436.527 4.588 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)ccc1O 1862677471 FSZFTVHGCKSRHU-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 1862687171 HIZXPAZWLZIEQD-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2Cl)cc1 1862688853 CGPFHJSWJQMSKI-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(F)c2)c1 1862702351 BTESSHRLIPADPB-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2F)c1 1862702775 LZGLZCSDUFCVFP-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)cc3C)C2=O)cc1 1862832977 QJGXAWRZKXIPOB-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866979939 MUWKBNHIRYPSPJ-JWQCQUIFSA-N 441.531 4.803 30 10 IJEE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccccc3C#N)nc(C)n2)cc1C 1868490294 CXHIVGICFLGGPM-NRFANRHFSA-N 427.508 4.569 30 10 IJEE COc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)cc1 1870140776 JQODNUZGDGOZLZ-CXUHLZMHSA-N 436.475 4.543 30 10 IJEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)C12CC3CC(CC(C3)C1)C2 1870160696 FVDHDVSBBMWTLH-UHFFFAOYSA-N 437.547 4.885 30 10 IJEE COc1cn(CCc2ccc(C)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870295429 RMBPHTPQBJWWJT-UHFFFAOYSA-N 433.577 4.892 30 10 IJEE Cc1c(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cccc1[N+](=O)[O-] 1871372128 AUPHIHQFOFHRLF-QRVIBDJDSA-N 444.443 4.805 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)c1 1871373891 JYGQPXQFUCTLDC-NHDPSOOVSA-N 431.400 4.747 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)c1 1871388728 AMDOUJASBOROKZ-QRVIBDJDSA-N 444.439 4.846 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2C)C3=O)cc1 1871443655 BQADOPVQUNJDBO-OYKKKHCWSA-N 443.499 4.623 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(Br)c1)S(=O)(=O)CCC 1872009338 ZVAUPLWGICKJAP-GOSISDBHSA-N 445.423 4.564 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccccn2)C1=O 1873113398 QRILSGDSRJJFDJ-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1ccc(N2CCCCC2)cc1 1873527533 DNKPXQOXELPMOO-UHFFFAOYSA-N 442.588 4.616 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1O 1874213910 LEJSUQVTVKNOMH-HZHRSRAPSA-N 428.945 4.809 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1c[nH]c2ccccc12 1874222253 LYNHHZZRZJEFRW-WGOQTCKBSA-N 447.564 4.722 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1cc(Cl)ccc1O 1874288532 KMTPLNVJXHCLQO-FOKLQQMPSA-N 444.944 4.775 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)c1 1874310421 VMBBIYCTWMZTKT-JVWAILMASA-N 447.539 4.781 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874362684 QUQIMGUQLBIJMY-YDZHTSKRSA-N 437.525 4.536 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874384926 PFBOAIKXZGZIQT-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)NCCC)nnc2C(C)(C)C)cc1 1874482796 OHDREJASCXAHCY-PCLIKHOPSA-N 445.633 4.645 30 10 IJEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCC(=O)Nc1ccc(F)cc1 1874487118 AHSKAIOKVYDSFP-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(Cl)cc2)o1 1874495678 YVSHLQNKYNPNAY-SSDVNMTOSA-N 430.917 4.753 30 10 IJEE CCCOc1c(/C=N/n2c(COC)nnc2SCc2cccc(C)c2)cccc1OC 1874497816 CBJLBKRYXJRMGO-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCc2ccc(Cl)cc2)ccc1OC(C)C 1874566066 ILCPANUYFWMSEZ-YDZHTSKRSA-N 430.961 4.683 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCCCO)c(Br)c1 1874639309 TXPWXYUVPTWPBH-ZZXKWVIFSA-N 425.706 4.768 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCc3cccc(OC)c3)n21 1875037455 AHLWRQSNOHWFSY-GOSISDBHSA-N 430.618 4.781 30 10 IJEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1 1875150969 NQNOEYDACGGJKZ-RMKNXTFCSA-N 445.427 4.676 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 1924224478 XDQSOKDXQXZAMW-RPWUZVMVSA-N 449.592 4.618 30 10 IJEE CC1(C)CC[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)N(C(=O)OC(C)(C)C)C1 1964761485 MPZNKDPEWUDKCB-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]23CCC[C@]2(C1)CN(c1c(Br)cccc1C#N)C3 1965686420 QMYHRDBFKUJZAJ-NHCUHLMSSA-N 432.362 4.548 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C=O 1985148976 YBQFYQBSMFKVCU-XHNVNVPESA-N 448.563 4.520 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NC 2047976154 KGZOHXQPSZDJCP-HZPDHXFCSA-N 429.786 4.540 30 10 IJEE NC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Cl 2080047613 HFKXGXIQPCJCFG-LLVKDONJSA-N 429.723 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNc1cc(Br)c(C#N)cc1F 2105975389 BUGQVVLXVINQMS-NSHDSACASA-N 434.256 4.516 30 10 IJEE CC1(C)OB(c2cnc(Sc3cc(F)ccc3F)c(Br)c2)OC1(C)C 2116132042 IMBJUBIXQBXJRM-UHFFFAOYSA-N 428.107 4.573 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1F 2124522835 YHRMLOJWWXZZGZ-OAHLLOKOSA-N 448.344 4.871 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ncc(Br)cc3C#N)CCC[C@H]12 2165306857 RKNIBVXGVYUQEF-OXJNMPFZSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CC1 2181107996 NVBIIRYDFZBZOT-DZGCQCFKSA-N 436.350 4.733 30 10 IJEE CCC[C@@]1(C(=O)Nc2ccc(Br)cc2C#N)CCCN1C(=O)OC(C)(C)C 2181136959 LAKBSFMAIQFTGF-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE CC1(C)CCC(CNc2cc(Br)cnc2C#N)(NC(=O)OC(C)(C)C)CC1 2201480532 PGWRGUIXRMARQC-UHFFFAOYSA-N 437.382 4.991 30 10 IJEE Brc1sc(C#CCCNC2CCC2)c(Br)c1Br 2216399154 ZZTRGLZEWXNOEB-UHFFFAOYSA-N 442.014 4.919 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C 2235731477 QCPORMDXDCVZRZ-AHRSYUTCSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)C#Cc3ccccc3Br)CCCC[C@@H]12 2235733377 UHTDMRRDVPJOMY-XMSQKQJNSA-N 432.358 4.940 30 10 IJEE CCCN[C@H](C#CC1CCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251410252 ADDCNNASXBEWOJ-RPWUZVMVSA-N 427.633 4.574 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2266703469 QDPKBDATCANGOI-AEFFLSMTSA-N 427.383 4.968 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)Nc1ccccc1OCc1ccccc1 2285199853 ZXVLAPMOFKQVKW-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](N)C2 2285955124 PKPDSWVXTBPRTO-ICYRRTCNSA-N 434.378 4.990 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@@H](N)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296222616 UDXNOOLYPVHQCB-AVRDEDQJSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)NCC1([C@@H](N)C#Cc2cccc(Br)c2)CCCCCC1 2296282897 APPFWVYQNUAUSO-IBGZPJMESA-N 435.406 4.993 30 10 IJEE CC1(C)OB([C@H]2CCN(Cc3ccc(I)c(Cl)c3)C2)OC1(C)C 2303104653 KFOOKSSAEKPNSX-ZDUSSCGKSA-N 447.553 4.613 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 2305402883 JPDGQTAEMPIZIE-RUZDIDTESA-N 428.573 4.842 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@@H]2C[C@H]1CC21OCCO1 2309250315 HWWDYDUSMOPODC-AVYPCKFXSA-N 449.345 4.626 30 10 IJEE CC(C=NN=C1NC(=O)[C@H](CC(=O)c2ccc3c(c2)CCCC3)S1)=Cc1ccccc1 2314835331 FIRIWSVVOGKCKR-QHCPKHFHSA-N 431.561 4.815 30 10 IJEE CC(C)[C@H]1C[C@@H](Oc2cc(Br)cnc2C#N)CN1C(=O)OCc1ccccc1 2321357638 PYAXOCUSVVLWPS-IEBWSBKVSA-N 444.329 4.530 30 10 IJEE Sc1nnc(CCOc2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2322024021 DACCWRDNTVBGOX-UHFFFAOYSA-N 430.533 4.650 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323422919 JYYDHQHMJRWUGY-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE Cc1cc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323556700 JHDDWKUJMVCBRC-UHFFFAOYSA-N 437.455 4.785 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O 2325265268 JZVNLNXHSNRLGF-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2F)ccc2c1OC(=Cc1ccco1)C2=O 2325532112 JYGPIBAALZJUGW-UHFFFAOYSA-N 429.350 4.639 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2325739346 HHQHOMHQPGFKEP-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cc(Cl)ccc1O 2326263304 AYMBMZGTVTZWGZ-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE CCc1ccc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SCCCO)cc1 2326550027 FAIBGGKLSJYVLR-UHFFFAOYSA-N 444.988 4.738 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1ccc(C(F)(F)F)cc1 2330132853 AGTHPNRFABPAMJ-OAHLLOKOSA-N 434.487 4.805 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)CCOc1ccccc1 2331081421 BKLGPDNJXHBVNA-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccc2ccccc12 2331225141 GLOJLFLZOYSQRZ-UHFFFAOYSA-N 434.521 4.865 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c(OCC)c2)cc1 2331310811 KLSIMIBKCYXCOO-UHFFFAOYSA-N 432.476 4.779 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1OC(C)C 2331410948 WCXVWSSKGLCLOH-UHFFFAOYSA-N 432.590 4.536 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(F)c2)cc1 2331439905 CKGKIHYPOJPRSW-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cc(Cl)ccc1O 2331445340 KQKBRQUXSGDQNX-UHFFFAOYSA-N 445.932 4.918 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OC 2331461144 PCIJFLBPKNPWDJ-UHFFFAOYSA-N 437.261 4.817 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1Cl 2331546280 FHUKQFJQFSJPIX-UHFFFAOYSA-N 427.357 4.780 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2ccc(C)cc2)nnc1C(C)C 2331669683 BDFKBHHGIGDTEP-UHFFFAOYSA-N 440.569 4.910 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C1CC1 2331721717 FZVJLZRWIIYBQO-UHFFFAOYSA-N 435.553 4.557 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc([N+](=O)[O-])c1OC(C)=O 2331750588 DDFLESVGDJBKJG-UHFFFAOYSA-N 433.844 4.785 30 10 IJEE C=C(CNC(C)(C)C)COCc1cc(I)ccc1Br 2341560851 WSINRCIGSUVXKG-UHFFFAOYSA-N 438.147 4.515 30 10 IJEE Cc1cc(CN2C[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369741331 KDUUKQVJQMOFGR-GMAHTHKFSA-N 448.460 4.637 30 10 IJEE CC(C)n1nc(Br)nc1C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 2382078724 QOPXPWKHCRCEFG-UHFFFAOYSA-N 435.322 4.865 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)N=C1SCC(=O)c1ccc(Cl)cc1 948007 QRPAOEBOESPVSE-UYRXBGFRSA-N 426.925 4.690 30 10 IJEE COc1ccccc1NC(=O)CCSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 20905437 ZEWJETWLSNPYAA-BUVRLJJBSA-N 446.536 4.533 30 10 IJEE CCOc1ccccc1N/C(=N/C(=O)c1ccccc1C)NCc1c(C)nn(CC)c1C 32972200 PWXQAFBMBHCQCJ-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE COc1cc(/C=N\N=C2\S/C(=C\c3cccs3)C(=O)N2Cc2ccco2)ccc1O 47137434 FNPDVYOJAHPYHT-ZKQHZWNYSA-N 439.518 4.562 30 10 IJEE CCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1 102586867 RMJCGIVVIGDMBE-GOBJLOIFSA-N 429.900 4.579 30 10 IJEE CC(C)c1ccc([C@@H]2/C(=C(O)\C=C/c3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 102910939 LZYQBJCMYUSPSN-UZQDSHSLSA-N 445.519 4.668 30 10 IJEE CCOc1cc(/C=N\Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccccc1Cl 169887364 FYYPDNPKGJFEJU-RMORIDSASA-N 433.295 4.500 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 169953564 RKFRZTFAXNRVKM-HSZRJFAPSA-N 446.478 4.683 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC)cc1 170033100 CKXKLKXKFQREQH-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 170052672 RXLOEUHUWCRMBC-JOCHJYFZSA-N 444.443 4.776 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)cc1 170185272 XRTUMXASZQBBPM-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(O)c1 170264441 GYSHPFKZBWCAHL-HXUWFJFHSA-N 441.911 4.884 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)ccc1Cl 170295962 VMKZPFADHSZLDX-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(OC(C)C)cc1 170335516 KAVCEJHGTMXFBL-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1 170383221 BNNOKPINCHVEGO-JOCHJYFZSA-N 427.460 4.610 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170455272 BBLKDDHABXACRZ-OAQYLSRUSA-N 432.524 4.534 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)c1C#N 170578021 ZUAWMDMEFUENPA-UHFFFAOYSA-N 442.427 4.580 30 10 IJEE O=C1C(=NNc2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccc2ccccc2c1 252511537 HVIYMKGSEMZRHL-UHFFFAOYSA-N 434.455 4.788 30 10 IJEE CCCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)SC1=Nc1ccc(OCC)cc1 252620603 MHSIXVGBAUAYQV-ZOAXWHFDSA-N 440.521 4.563 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 460384063 XHEYWGYXNCLAOL-HXUWFJFHSA-N 448.523 4.609 30 10 IJEE CCOCCCn1c(Cc2ccccc2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460723908 MCGQQSPZLWHMLK-UHFFFAOYSA-N 441.579 4.769 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 476162284 UDKMWZTVSJGVFD-NSYGIPOTSA-N 425.573 4.614 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 508496147 CKUNANBXSUHKHT-SANMLTNESA-N 425.536 4.562 30 10 IJEE Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 520740621 XJJJWBPVNHXAMY-LBPRGKRZSA-N 435.933 4.822 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccn2)c1OC 526608220 BERIITINOPVAHV-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1c[nH]c2ccccc12 526827908 NQNYARXCCCZENG-QFEZKATASA-N 433.537 4.673 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(O)c(Cl)c1 526831145 HKTUCSKXICEZFE-YVNNLAQVSA-N 448.932 4.532 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)c2cccc(C(F)(F)F)c2)cc1 586254601 RNLUJQCMUMZPQW-UHFFFAOYSA-N 426.460 4.992 30 10 IJEE CN(C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCSc2ccc(Br)cc21 609254579 SZYJQPZJYZCPLO-QGZVFWFLSA-N 434.334 4.838 30 10 IJEE CC(=NNc1nc(=Nc2ccccc2)nc(N2CCCC2)[nH]1)c1ccc2c3c(cccc13)CC2 725439567 KSJFVMYBVPBSEX-UHFFFAOYSA-N 449.562 4.725 30 10 IJEE N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1csc(-c2cccc3ccccc23)n1 786559545 PGTNWVLLKMEFMH-IBGZPJMESA-N 447.466 4.880 30 10 IJEE Cc1cccc2nc([C@@H](C#N)C(=O)C3C[C@@H]4CCC[C@H](C3)C4NC(=O)OC(C)(C)C)[nH]c12 797042405 IKFCCXMPODLJJR-YFZKKPHVSA-N 436.556 4.767 30 10 IJEE CNc1ccc(C#N)cc1NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1 803311541 QFYGQFJKXFLCSQ-DEOSSOPVSA-N 429.520 4.877 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1ccco1 809922728 VTKWOWUWPCQXHD-ROUUACIJSA-N 427.549 4.513 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1c1ccco1 812179559 VDPIPXMEIDVYLY-MOPGFXCFSA-N 441.576 4.903 30 10 IJEE N#CCCC[C@@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1 817318491 BGUKUZYUMSUIFU-GOSISDBHSA-N 434.565 4.760 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1 1084100454 NWRIVIHLSCNQFZ-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE CCOc1ccc(N=C2C(=O)N(CN3CC[C@@H](c4ccccc4)C3)c3ccccc32)cc1 1084291438 MPCQRFSKRKETHB-OAQYLSRUSA-N 425.532 5.000 30 10 IJEE CCCOc1ccc(C=NNc2cc(-n3nc(C)cc3C)nc(-c3ccccc3)n2)c(O)c1 1084525112 UQFHKTGFTNELIC-UHFFFAOYSA-N 442.523 4.887 30 10 IJEE O=C(NC1CCCCC1)c1ccc(N=C2C(=O)N(CN3CCCCC3)c3ccccc32)cc1 1084540252 WITSSTSTQCNYPZ-UHFFFAOYSA-N 444.579 4.660 30 10 IJEE N#Cc1ccc(OCC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc1Br 1126556569 HNGKNNNBZBTOAK-NRFANRHFSA-N 449.348 4.842 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1)c1ccc(Br)cc1 1129608507 FRIJYRKIBYDPAZ-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 1130626944 PHIVJZWHDCRNDA-UHFFFAOYSA-N 439.455 4.731 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 1134915890 PKAJVUMTGHAEPA-LJQANCHMSA-N 428.326 4.665 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCNc2ccc3ccccc3n2)s1 1143029919 SNKCGMHKVGEWLX-UHFFFAOYSA-N 433.002 4.615 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCC3)C2)c(F)c1 1148038413 HHQVUHOGNHXASV-QGZVFWFLSA-N 445.460 4.781 30 10 IJEE C=CCn1c(SCc2cc(O)nc(-c3ccccc3)n2)nc2cc(Cl)ccc2c1=O 1164458801 KSSQUCWGUWFFRU-UHFFFAOYSA-N 436.924 4.691 30 10 IJEE N#Cc1cc(Cl)ccc1SCC(=O)N1CCN(Cc2cccc3ccccc23)CC1 1165763659 DAUMYEHASZWWPJ-UHFFFAOYSA-N 435.980 4.801 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)c1cnn(CC2CCC2)c1 1219087022 WUBVNIWCAUXTNH-AWEZNQCLSA-N 433.350 4.893 30 10 IJEE COc1ccc(CN(C(=O)Nc2ccc(Br)c(C#N)n2)[C@H](C)C2CC2)cc1 1219696733 IFEBTMGWVYVKOX-CYBMUJFWSA-N 429.318 4.557 30 10 IJEE C#CCSCCNC(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1222087579 GWERHGDHUGOFTP-UHFFFAOYSA-N 449.414 4.768 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccc(C(F)(F)F)cc1 1230695073 YXKXBPDFQZVVJF-PKOBYXMFSA-N 425.495 4.659 30 10 IJEE C#CCOc1ccc(CNC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 1251291850 VXVXBQKWNZZQRP-NRFANRHFSA-N 446.469 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C1CC1 1286278021 KMAKWXUHVWTIEI-SQGPQFPESA-N 430.980 4.571 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N(C)Cc1cc(Br)cs1 1286354903 AQJDBWLHUHYPIG-UHFFFAOYSA-N 443.414 4.937 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1csc(C)n1 1286452577 RANAXAPFVCMMEG-OAHLLOKOSA-N 429.977 4.539 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1286530531 AVQPXUBPOPXTKM-QGZVFWFLSA-N 439.785 4.758 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1286578245 CDSMMSAGZOYNSZ-NBGIEHNGSA-N 427.612 4.921 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1)c1ccccc1 1286678440 WWCHSGPNRPGYSL-LADGPHEKSA-N 447.631 4.886 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286682930 YHFPPYHADHBBPM-UHFFFAOYSA-N 432.450 4.574 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CCOCC1 1286705135 RBMPWOVLJREQQP-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1Cc1ccsc1Br)C1CC1 1286734572 YRVUSTMYRDKNIN-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCOC1CCCCCC1 1286741163 HOPPBCAUTUQDBQ-XMMPIXPASA-N 449.599 4.933 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@@H]1C 1286750350 YREVJADTUUPFFN-ICSRJNTNSA-N 440.588 4.935 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC[C@H](F)C2)C1 1286802313 ABTVVWOYRLZYLN-ZYSHUDEJSA-N 449.368 4.627 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1 1287298377 AVUMKQUNAFIYOY-HBMCJLEFSA-N 425.602 4.524 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C2(C)CC2)c1 1289494181 PQULZVNYQNSLAY-INIZCTEOSA-N 432.973 4.640 30 10 IJEE COC1(Cn2c(C(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)CCCCC1 1299794588 GGZUKDSXKULEHH-UHFFFAOYSA-N 437.588 4.670 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2(C3CC3)CCC2)c1 1300334073 HRLZVFVILXXMIV-UHFFFAOYSA-N 433.600 4.503 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1300421547 JXJFNAZCSLUINT-RTWAWAEBSA-N 426.630 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1csc(CCc2ccccc2)n1 1300584222 SJUKNWBIEYCKNV-UHFFFAOYSA-N 445.636 4.620 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(CCCC)nc1C 1300905580 BGIZDYHKBZGQQC-UHFFFAOYSA-N 427.984 4.749 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)C 1300924651 GMYFBHQQPLFWCS-WMZHIEFXSA-N 430.568 4.850 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1)c1ccccc1 1301008930 DHQPBDKXCGCDFJ-UHFFFAOYSA-N 434.588 4.830 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1301232392 YMORXRFJICEEHQ-UHFFFAOYSA-N 425.621 4.690 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1301238976 IXUBGNWKKCMSBM-OALUTQOASA-N 437.613 4.725 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](c1cccs1)N(C)C 1301346935 LRXGBTIBCHKXTR-QFIPXVFZSA-N 446.624 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CC1CCN(C(=O)OC)CC1 1301362514 FIFGPRMTMINDOG-UHFFFAOYSA-N 445.633 4.599 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC=CCC1 1301414812 JFSZKVHJQKBMCR-INIZCTEOSA-N 449.368 4.842 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1301618215 MWSKFRREJRTUEA-LPHOPBHVSA-N 429.461 4.950 30 10 IJEE C=CCn1c(SCc2ccn(CCc3ccccc3)n2)nnc1-c1ccccc1OC 1307253279 SWOYWLOEMXLEPI-UHFFFAOYSA-N 431.565 4.871 30 10 IJEE COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC(c3ccc(C#N)cc3)CC2)cc1 1308113747 HKRPFGYWLRPXMF-SANMLTNESA-N 431.580 4.890 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(C)c(OC)c(C)c1 1309138882 MMSFCNVUGROLLM-UHFFFAOYSA-N 442.350 4.591 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3cccc(NC(=O)c4cccc(F)c4)c3)cc2n1 1311237273 GKTYNUASXIFTBL-UHFFFAOYSA-N 443.482 4.935 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1CCCCO1 1315331918 FFCHXEPUDLXHHT-FDDCHVKYSA-N 443.979 4.696 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)c(C(=O)OCC)c1C 1349733859 LRJAODSVWVTUGH-CQSZACIVSA-N 445.537 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCSc1nccs1 1358881420 GCVXJIOSXYLDNK-INIZCTEOSA-N 434.594 4.590 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1358916446 LQTWAPFNFJQMRL-CRAIPNDOSA-N 440.897 4.949 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1358930902 IVEAZSJLEMEQPW-DEOSSOPVSA-N 433.644 4.683 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCC[C@H]1C 1358973450 SEAKUSPVHJNHEN-NHCUHLMSSA-N 428.536 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1358985242 TVJFFIQYGOULLQ-MLCQCVOFSA-N 446.595 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1359003842 ZJLUVRDZQOYHJU-YLJYHZDGSA-N 445.405 4.762 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N(CC)Cc1nc(O)c2sccc2n1 1359120060 DYMVLTKXSOLCFP-UHFFFAOYSA-N 440.960 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C)C1 1359184981 HHXGGFYYEPWFJM-CYBMUJFWSA-N 425.396 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359185691 FPIJHPBIDGQLNW-UHFFFAOYSA-N 435.616 4.776 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359206135 VURZJESQADHIKM-QFIPXVFZSA-N 434.588 4.868 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359228813 OWCZPUFGSHCMIT-QFBILLFUSA-N 441.428 4.543 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1359232246 PSQGUPFESAJNDB-OTWHNJEPSA-N 432.012 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1359261226 AOPOXLNVTGSURF-FDDCHVKYSA-N 430.618 4.558 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccnc1)C(C)C 1359262673 AUBYQGUHKKSZNX-QFIPXVFZSA-N 447.612 4.768 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ncc(CC)s1 1359270139 CRBCXANVRGRSOL-UHFFFAOYSA-N 432.553 4.846 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccoc1 1359275823 HRYZPCXEBXXUTO-UHFFFAOYSA-N 442.317 4.505 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1=Cc2cccc(OCC)c2OC1 1360644056 MIESOEXXIKDTIU-UHFFFAOYSA-N 446.316 4.978 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 1441094550 RRCHJDQQBDKQII-HXUWFJFHSA-N 438.528 4.522 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 1442061930 JOSHPYVBTFRLGN-DHIUTWEWSA-N 443.632 4.825 30 10 IJEE COc1cc(CN(C2CC2)[C@@H](C)C(=O)OC(C)(C)C)ccc1OCc1cccc(C#N)c1 1460224913 BSSTXBPPEUXNHK-SFHVURJKSA-N 436.552 4.840 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1462590591 ZROURWILAHQALM-XMMPIXPASA-N 432.992 4.965 30 10 IJEE CCCc1ccc(Cl)c(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 1463663509 BVMUWYQEEFMZTO-UHFFFAOYSA-N 436.936 4.535 30 10 IJEE C#C[C@H](NS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1F 1463683103 GPARZDOHRQEZKA-INIZCTEOSA-N 441.336 4.909 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC 1468479222 REHBUMCZWCAAQS-UXHICEINSA-N 444.572 4.568 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OC2CCCCC2)nc1)c1ccc(Br)cc1 1468527674 JYROHIYAZUYVAA-HXUWFJFHSA-N 442.357 4.729 30 10 IJEE C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1476056538 GXEPTPYPTQWDJO-MKTHODDLSA-N 434.521 4.708 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccc(Cl)cc1 1477671821 UEKZFYXDHMOIAL-JOCHJYFZSA-N 428.923 4.912 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCc2ccc(I)cc2)CCCC1(C)C 1479032407 FIGPWKRGSYZWQF-KRWDZBQOSA-N 426.342 4.610 30 10 IJEE Cc1ccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(CCC#N)CC2CC2)cc1 1492294017 GGRDCHNCZQVIDX-FQEVSTJZSA-N 430.556 4.555 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)C[C@H](C)C2)C1 1499486747 DDVMFTIEVWJXLE-FDFHNCONSA-N 434.632 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCN(C(C)C)C1 1507521705 BFSHSONKYFSUSR-PMACEKPBSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(CC)(CC)SC 1507548971 XNENYVHQBCRJKJ-MSOLQXFVSA-N 449.665 4.730 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1CCN(CC)CC1 1507605673 XNKIFAYBWSONPT-UHFFFAOYSA-N 444.627 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(Cl)c1 1507800860 YUTVDRBRHVIVRD-JBACZVJFSA-N 430.980 4.791 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCCc2ccc(OC)cc2)nnc1C(C)(C)C 1507808252 GNIMJYMDAVQUAP-UNMCSNQZSA-N 426.605 4.634 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(OC)CC1 1507837006 GJCFBPXFGQFADI-YADARESESA-N 446.567 4.545 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](CC)N1CCCC1)C1CC1 1507990949 QBDKZPVCZCGMGX-GOSISDBHSA-N 429.996 4.636 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)CC 1508038170 RNGCGLZISOVJKG-UHFFFAOYSA-N 427.412 4.844 30 10 IJEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1509297276 HUNLHEFHDDFXDQ-LEWJYISDSA-N 434.632 4.952 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1509945023 AYNAFMUYBHJEKN-IBGZPJMESA-N 448.615 4.926 30 10 IJEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 1512106267 GNGULIHTSFQSMT-KSFYIVLOSA-N 447.505 4.537 30 10 IJEE C#CCOc1ccc(COC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 1521967710 FKHONRCQKJZIHP-UHFFFAOYSA-N 427.909 4.673 30 10 IJEE CC[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cc(F)cc(Br)c1 1523005537 DAAGJVRHUNRXHX-SFHVURJKSA-N 427.277 4.527 30 10 IJEE CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Br)c(C#N)c2)n1 1524011870 CORVHCLVIFRWJC-UHFFFAOYSA-N 425.286 4.921 30 10 IJEE C#C[C@H](NC(=O)CCCOc1ccc2c(c1)CCCC2)c1ccc(Br)cc1 1525054348 LZXHDAGBVUNLLA-QFIPXVFZSA-N 426.354 4.978 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](CC)Cc2ccc(Br)cc2)cc(OC)c1OC 1533736367 MKIKTECXRKVULO-IBGZPJMESA-N 432.358 4.946 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cc(Cl)ccc1Cl 1537886441 GWUXDTBYVWJGSA-WCQYABFASA-N 436.726 4.749 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 1538230294 CRPIWHWIKYYZAL-UHFFFAOYSA-N 435.459 4.507 30 10 IJEE C[C@H](NC(=O)c1cc(Br)cnc1N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1538235313 GGZCEZANKVGBJA-HNNXBMFYSA-N 449.352 4.940 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 1538703904 DKQSLUYDNXANRP-UHFFFAOYSA-N 433.529 4.698 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CSCCS1 1539652091 NCHYLUZDQOSFKK-QGZVFWFLSA-N 440.585 4.798 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCN1CC)C1CC1 1540095959 ZRWPTCMVANNFLH-RXVVDRJESA-N 427.568 4.586 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCc1csc(C(C)(C)C)n1)C1CC1 1540112357 WSAONOQHQOUTMG-UHFFFAOYSA-N 442.658 4.785 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1ccnc(OCc2ccccc2)c1 1540139517 AEEJBDFYCMTMSE-UHFFFAOYSA-N 431.565 4.863 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](O)c1ccc(Cl)cc1F 1542729552 IRJDNJHVUVUYPA-KRWDZBQOSA-N 430.676 4.629 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C#N)CC1)N(C)C 1545804955 FLWZVWQXDQXITD-NRFANRHFSA-N 434.588 4.798 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC(C)(C)[C@H](c4ccccc4)C3)ccc2c1=O 1558600046 OQLHLCOXPWTVJK-FQEVSTJZSA-N 433.577 4.527 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 1559845771 AFJILVZXHRPGGM-YFXJRYMSSA-N 437.609 4.993 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCc2cc(Br)ccc21)c1ccc(Br)cc1 1565000445 XKYPVUGBGQDYOF-ZWKOTPCHSA-N 448.158 4.873 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2Cl)c1 1585585285 QAGJGKLPWMGJFT-HNNXBMFYSA-N 425.316 4.500 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)cc1OC 1586634454 NLJQDOWHKRMKDG-HHKSNPGESA-N 427.928 4.915 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCC2(C)CC2)c1 1586721662 YDLLLFJYZVFITQ-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE CO[C@](C)(CNC(=O)c1ccccc1Oc1ccccc1C#N)COCc1ccccc1 1587066995 GBGCFNRMSGUNEG-AREMUKBSSA-N 430.504 4.702 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 1587179485 WQBCRLQJJNOKBE-UHFFFAOYSA-N 439.560 4.827 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)c1nc(C)cs1 1588266143 MAPGMUYVXZFPKL-WBVHZDCISA-N 427.549 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(CC)(CC)C1 1589559646 TZEPDKPWCAJCAA-XUZZJYLKSA-N 438.616 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-c2ccsc2)nc1 1589687511 HVDZFTNTKUUQGB-UHFFFAOYSA-N 447.612 4.714 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@H](C)[C@H]1C)c1ccccc1 1594552934 UGXKJNASBXOHCS-KCZVDYSFSA-N 433.625 4.954 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1594646293 VGFUERAKKWYJJY-FQEVSTJZSA-N 431.625 4.861 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CCc1csc(C)n1 1595076087 SSRDURCJJKTWQA-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1Cc1csc(C)c1 1595084314 JNJCAGSVRQHERB-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1595115225 GMUHVCXBIIIADP-GGAORHGYSA-N 448.615 4.713 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC1(C)C 1595120481 UQHKGYVHXNOTGW-IBGZPJMESA-N 435.597 4.508 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H](O)C1 1595134276 YDLVAUSROFYCMJ-WIYYLYMNSA-N 440.588 4.813 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCN1CC 1595239812 SWQCPCVZQKMHNW-ZEQRLZLVSA-N 437.632 4.629 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H](C)c1ncc(C)s1 1595281991 BSFSFLWRNYLQLU-HNNXBMFYSA-N 431.993 4.806 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1Cl 1597605916 NGPSEXKFLRAFDS-UHFFFAOYSA-N 430.932 4.942 30 10 IJEE Cc1cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2ccccc12 1615200012 RNXMLIUIRXWROJ-UHFFFAOYSA-N 441.271 4.678 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2Cc2sccc2C)cc1 1616396722 HFNCABYIVVGAAV-ROUUACIJSA-N 439.585 4.973 30 10 IJEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1 1616567102 ARJOSNSIIXXMBW-GOSISDBHSA-N 447.398 4.816 30 10 IJEE C=C[C@@H](CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1616912620 SUZBRMCZCCNPND-NDXORKPFSA-N 448.460 4.549 30 10 IJEE C#CCN(C(=O)c1ncc(C(F)(F)F)s1)[C@@H]1CCOc2ccc(Br)cc21 1617599412 FNNIGWNURYNKLQ-GFCCVEGCSA-N 445.260 4.524 30 10 IJEE CSc1cc(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@@H](C)CC#N)ccn1 1620231728 FDCQXKNHCIXYFG-INIZCTEOSA-N 445.552 4.504 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 1621596050 CBQCFWBSRMBEMC-IBGZPJMESA-N 435.936 4.803 30 10 IJEE Cc1cc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)ccc1C#N 1622369272 GXZQHYRBIPAZIQ-NRFANRHFSA-N 428.966 4.918 30 10 IJEE CC[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 1623285027 GUFHWRBWTSOMIB-OAQYLSRUSA-N 448.958 4.698 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)cc(OC)c1OC 1627088468 NQTBBGOZPBLOFZ-UHFFFAOYSA-N 446.425 4.635 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)c1 1627845258 NGGQCUHPBZOCCZ-UHFFFAOYSA-N 426.881 4.624 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(C)C 1628517007 HMPQJEOIDBSGER-YQQAZPJKSA-N 443.476 4.894 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@@H](C)C2)c1 1633274534 VSIPXBACDZCKSU-FPGHNAPASA-N 440.609 4.757 30 10 IJEE C[C@@H](CC#N)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1633299511 GOVVJBBVRSRAAD-AVRWGWEMSA-N 439.515 4.685 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)c1 1637924307 DEKYAKPUYNLUCC-RXVVDRJESA-N 429.969 4.593 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncccc2C)nc2cc(-c3ccccc3)sc2c1=O 1640771998 MKDQIYFROLGYKK-UHFFFAOYSA-N 448.573 4.745 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)c2c1 1644051584 GSHHDUHEWKEMNH-QFIPXVFZSA-N 435.499 4.927 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1646623489 GQQNIJIETPSDCM-WJOKGBTCSA-N 440.565 4.833 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CCCCCC)Cc3ccco3)ccc2c1=O 1647297130 RMDKXCCOAYHNFX-UHFFFAOYSA-N 425.554 4.687 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(C(F)(F)F)c2C1 1648444484 KTDQXZRVDGBQOD-INIZCTEOSA-N 432.870 4.626 30 10 IJEE C#C[C@H](N[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)c1ccc(Br)cc1 1658192857 GBURNQBSOSSBGF-YWZLYKJASA-N 433.777 4.804 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)cc1 1658320981 PRCPQRIDTIMIII-IWMITWMQSA-N 447.988 4.665 30 10 IJEE C#CCN(Cc1snc(OC)c1Cl)[C@H]1CCOc2ccc(Br)cc21 1658568642 AOYNKHSDYCYMSL-ZDUSSCGKSA-N 427.751 4.527 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCCN(CC)CC)cc1)c1ccc(Br)cc1 1659099089 VZRAGLDFDHDDEY-NRFANRHFSA-N 444.373 4.666 30 10 IJEE CCCN([C@@H]1C[C@H](OCC)C12CCCC2)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1662239914 GNMUYROFKGHVMO-MOPGFXCFSA-N 444.519 4.716 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2nc(Sc3ccc(OC)cc3)ns2)cc1 1662374570 UAQXQTUUCUCZLW-UHFFFAOYSA-N 428.539 4.584 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1OC 1662465710 GEMKWDJFOBRGSS-KRWDZBQOSA-N 446.922 4.648 30 10 IJEE CCc1ccc([C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)c2cccc(F)c2)cc1 1666174795 HWPPZOYVOCQBBB-OAQYLSRUSA-N 430.451 4.606 30 10 IJEE CC1CCC(N(Cc2ccc3c(c2)OCO3)S(=O)(=O)CC2(C#N)CCCCC2)CC1 1667016835 FTSXBOYUVHHZGV-UHFFFAOYSA-N 432.586 4.600 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1667228608 QWBBVAFXGFMMDT-UHFFFAOYSA-N 438.450 4.792 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 1671328652 FAPOJWGYJPDXDI-CQSZACIVSA-N 425.451 4.607 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 1671740867 FEWMOCYYRYUHPL-UHFFFAOYSA-N 443.285 4.800 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CC)c1nnc2n1CCCCC2 1672209468 DSHZDLXEWYBIQO-HNNXBMFYSA-N 448.365 4.605 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)C1 1673342212 HANJJBZCZWQCJM-INIZCTEOSA-N 446.320 4.600 30 10 IJEE C=CCc1cc(CNC(=O)N(C)CCOc2ccccc2C(C)(C)C)cc(OC)c1OC 1676275277 QNZOEUYPXCRILC-UHFFFAOYSA-N 440.584 4.950 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 1678356388 UGQISRKEOALINU-OAQYLSRUSA-N 429.314 4.677 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 1682155659 BZEPXDBYVJXVTL-SLYNCCJLSA-N 426.479 4.673 30 10 IJEE C#C[C@H](NC(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1)c1ccc(Cl)cc1F 1682366778 ILXDSIZXDLKUOC-OFNKIYASSA-N 428.935 4.895 30 10 IJEE C#CCCCCn1c(N(C)c2cccc(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689906547 NPQVPITYUMWGTJ-BGYRXZFFSA-N 437.588 4.929 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(F)c(F)c1 1689951385 VUMUCPYQTNHZSP-OAHLLOKOSA-N 426.536 4.722 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC1(CCOC)CCC1 1690090005 SOIUGWSVOSXVOG-JOCHJYFZSA-N 440.563 4.505 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1690155221 HWTDAYSGEMEPKT-MSOLQXFVSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@H](SC)C1 1690165912 NLTLDJBXKDALAX-IBGZPJMESA-N 437.638 4.582 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](COCC)C1 1690328263 IEEBNWCONRGBEC-HZPDHXFCSA-N 425.360 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1690372217 FHWOXGYCQKJYKO-XMMPIXPASA-N 430.600 4.670 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1690478890 MXPPIIWENKNIBK-UHFFFAOYSA-N 432.616 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCCC1 1690573767 CNSMEQNILFDZII-QHCPKHFHSA-N 430.618 4.763 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(Cl)s1 1690613488 JHUBBFSGFYGSCD-UHFFFAOYSA-N 438.384 4.590 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C 1690746618 FGEDLXIVYNXPSQ-UHFFFAOYSA-N 431.993 4.683 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)C1 1693660537 AAUOSZXIMZLLGD-AJTFRIOCSA-N 448.659 4.704 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)NC1CCCCC1 1705483044 MLLXUANLEUYBMF-LJQANCHMSA-N 435.616 4.540 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(OC)cc1 1705699975 NOJYQDDCPUWYAS-ZJSXRUAMSA-N 447.583 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](CCC)OC 1705717987 XFJYPWAVAONRBB-HXUWFJFHSA-N 449.640 4.610 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCN(CCC)C2)CC1 1705764827 OUXMDLCZPKISOY-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CC2)n1C[C@H]1CCSC1(C)C 1705858443 XTQIAYBMBSTGKS-HXUWFJFHSA-N 426.630 4.964 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCN1CCCC[C@H]1CC 1705867860 WQPQCLOERYNICR-TZIWHRDSSA-N 429.634 4.648 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C(C)C 1706447697 DAZUNRMFAVVNFH-RDGATRHJSA-N 439.604 4.541 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1712453269 HYWYAPZRXVFGGD-GOSISDBHSA-N 447.530 4.536 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOc1ccc(C)cc1 1722306276 QCLMLMFAVSSXFE-YMPZKCBVSA-N 438.616 4.822 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCC1(F)F 1722397706 VESRAORUBDLPQA-IBGZPJMESA-N 430.930 4.811 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(C)OCCc2sccc21 1722404320 YZKRKJLATVLXJQ-QFIPXVFZSA-N 426.973 4.608 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCCOC1CCCC1 1722498175 QWOHXPBXQMIEBH-AREMUKBSSA-N 436.600 4.761 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722544210 FQMHMHNRRRGBAM-INIZCTEOSA-N 446.363 4.862 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCc2nccnc2C)CC1 1722565132 WMJNODAYOBXBCK-NRFANRHFSA-N 432.572 4.532 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCC[C@@H]2C)CC1 1722569716 LENYUBNOAMOIER-SFHVURJKSA-N 432.037 4.865 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(OCCC)c2)CC1 1722579637 RUVIXCABZGWZLP-UHFFFAOYSA-N 448.615 4.574 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2csc(CC)n2)CC1 1722581750 CZPLMPYJIJXMSH-UHFFFAOYSA-N 425.577 4.672 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(COC)CC1 1722600508 OOVBWZKMQVOGKS-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](CCOC)C1 1722613490 YTARFIPIDALBPQ-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1Cc1sccc1C 1722655658 PLFFVZVNZIWDKP-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCc3cc(OC)ccc32)C1 1722719620 XJMYMSIFYZMASC-UNMCSNQZSA-N 438.616 4.777 30 10 IJEE Cc1cc(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)[C@@H](C)CC#N)no1 1724217655 FAOOLUXKZFOZBX-LBPRGKRZSA-N 426.933 4.896 30 10 IJEE Cc1nc(CCn2c(CSc3ccc(Cl)cc3)nnc2N(C)C[C@H](C)C#N)cs1 1725489442 AVBBPLSGUYBDDK-CQSZACIVSA-N 447.033 4.827 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CCOC)CCCCC2)cc1 1727379265 HSOXUKNYPHEYJL-VWLOTQADSA-N 439.579 4.936 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(CCC)Cc1ccc(F)cc1F 1740762483 DWOZNYUNQCKEHE-AUSIDOKSSA-N 430.543 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cc(C)on1 1740769944 ZZWZGBMETMQYBP-UHFFFAOYSA-N 430.350 4.763 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CCOC)C1 1740814718 AQTBHYRIGDLQEE-AWEZNQCLSA-N 445.778 4.779 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1740836415 KERCEKBZJCJBBP-AVRDEDQJSA-N 442.991 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740845314 KVQUTABMSSWOLE-LJQANCHMSA-N 435.572 4.598 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 1740858107 ILOVMZXVOUOYSK-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1740864583 BYPCIZVJIXMQCY-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1740881106 XIJJMUAJLXCHAW-PGRDOPGGSA-N 439.604 4.755 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCc2cc(Br)ccc2C1 1740885583 JZFLFARGFOJNPV-UHFFFAOYSA-N 445.405 4.854 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)C(C)C 1740927125 RHUKBRTVAOPLMA-GMAHTHKFSA-N 441.664 4.663 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1740936567 ZYLXPXFTXNKWJY-DEOSSOPVSA-N 433.581 4.931 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740949595 MEQQEKPTEDPIOC-HSALFYBXSA-N 430.980 4.614 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)C(C)C)C1 1740977554 VJUGCLBVDFKDCJ-JOCHJYFZSA-N 434.588 4.594 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCSC1 1741516043 FGKMNHGNAKAOLZ-SFHVURJKSA-N 441.601 4.583 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(C)C)cs1 1742060531 AFCINKVGXPHFEX-UHFFFAOYSA-N 432.553 4.983 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1748724969 OFJKCXFNIYGWAL-FQEVSTJZSA-N 432.490 4.631 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1748855768 KJYZNRSNBLNKRQ-VQTJNVASSA-N 444.501 4.840 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@H]1CC 1749048141 JRJBIKOKNBTCSY-QZTJIDSGSA-N 430.643 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CCOC)C1 1749124803 PMIYEJXMQZMQIM-FIKGOQFSSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1749141974 NVQCGJJDXDXZKU-UNMCSNQZSA-N 439.604 4.611 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 1749312414 KJGSEKMURAHXLR-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1749424843 PTBCIVJNCAFKHT-JOCHJYFZSA-N 447.505 4.922 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCS1)C1CC1 1749511555 KSRUNGYZIBWFIE-MRXNPFEDSA-N 449.418 4.767 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCc1csc(C(C)(C)C)n1 1760117188 XIJCWFCOUNDWOY-OAHLLOKOSA-N 443.567 4.602 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1SC 1760139671 KZDRNSKVXONLPG-UHFFFAOYSA-N 425.627 4.796 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@@H]1C 1760352746 XFUYOLSPEWSONV-SFTDATJTSA-N 442.604 4.631 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1760400415 AGMRHYIQEROYSI-XMMPIXPASA-N 437.975 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cccs1 1760411035 AKTDMZZAYQLJIN-UHFFFAOYSA-N 434.569 4.894 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1760429385 AQHKKPSXGVUPQR-WMZOPIPTSA-N 431.378 4.965 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccn(C)n1)C1CC1 1760471002 JKDQWIGUSUXRQO-KRWDZBQOSA-N 440.979 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1cccc(N2CCOCC2)c1 1760484245 RWTWIFOILCCUPC-UHFFFAOYSA-N 437.613 4.541 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760507816 IAYKXXUHUOSIAS-LBPRGKRZSA-N 434.293 4.511 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ncc(CC)s2)C1 1760536468 HPWMTJXAOMOHIK-CTNGQTDRSA-N 437.613 4.669 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCC2)s1 1761772796 HXFFWFWMRYLNOJ-UHFFFAOYSA-N 434.613 4.698 30 10 IJEE O=C1Nc2ccccc2/C1=C1/SC(=Nc2ccncc2Cl)N(C2CCCCC2)C1=O 1772735398 HNVHRTCMVARWKP-BNKCDGJYSA-N 438.940 4.994 30 10 IJEE CCCN1C(=O)/C(=C\c2cccc(O[C@@H](CC)C(=O)O)c2)SC1=Nc1nc(C)cs1 1772761853 KWTQYVMXDGUTBN-YYCKOHORSA-N 445.566 4.708 30 10 IJEE CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1ccccc1C(=O)O 1772762512 SWBMCPWBJUWQOR-CLEIAUBXSA-N 431.311 4.771 30 10 IJEE Cc1nc(N2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)nc(O)c1-c1ccc(Cl)cc1 1858554831 KDOGRJFMZYNOQK-UHFFFAOYSA-N 447.926 4.538 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1862096103 APOLOZMIECMSGV-JOCHJYFZSA-N 430.552 4.637 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 1862448030 DKOBEQRAQJLVDU-IBGZPJMESA-N 438.823 4.620 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc2cc[nH]c2c1 1862462902 BGYNJPDLCNZSJU-FQEVSTJZSA-N 428.410 4.820 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@H]2c2ccccc2F)cc1 1862474229 LJZDSZIXLVOZPO-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(OC)c1 1862549613 SVZJAVLKOGABBH-QHCPKHFHSA-N 435.520 4.658 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 1862605434 UCJZWFQSYDVDCT-DEOSSOPVSA-N 441.483 4.545 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2c(F)cccc2Cl)cc1F 1862644198 FUKYTMJCBXSZDE-IBGZPJMESA-N 435.854 4.861 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 1862689480 RRLDFIBLYHVNKM-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1cccs1 1864495631 TZSVXIGEVBNNIW-LJQANCHMSA-N 430.618 4.698 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868286203 BNIYSQVEYZURLO-UHFFFAOYSA-N 444.558 4.548 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)CCc2ccc(Cl)cc2)c(C)c1 1870155899 LLJMXNGFQAMAEF-UHFFFAOYSA-N 436.947 4.518 30 10 IJEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870813694 WVQTUZIUWYWPRW-UHFFFAOYSA-N 440.927 4.744 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CNc1cccc(Cl)c1C 1871002333 BYHBGWQMHXPCSC-UHFFFAOYSA-N 442.899 4.567 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)cc1 1871407931 QWQPPFCFDVEXKS-IWIPYMOSSA-N 430.456 4.856 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)NCc1ccccc1Cl 1871448260 MXWRTDBGNYTLOT-JJFYIABZSA-N 437.854 4.791 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872152003 RWKCONTUEBIPER-WZONZLPQSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872281753 MPIKJANBFIUGBH-MGPUTAFESA-N 438.952 4.709 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872365854 BYUZAWKGZGICKM-NRFANRHFSA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1 1872400683 XHXVBPVHEILRHM-QHCPKHFHSA-N 443.613 4.517 30 10 IJEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1[N+](=O)[O-] 1872767145 TYANVFNCKQDSNC-OAHLLOKOSA-N 426.885 4.928 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)c(Cl)c2)=C(c2cccc(Br)c2)C1=O 1873228395 NXNAYPWSTVGFPT-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE CCOc1c(/C=N/n2c(COc3ccccc3Cl)nnc2SC)cccc1OC 1874265701 KCZBEGPZGKBQGD-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE OCCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874282750 XULDDELMUXEUMY-MFKUBSTISA-N 439.972 4.555 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)c1 1874310978 XSGXGKSGLKMJPJ-ZXVVBBHZSA-N 443.576 4.684 30 10 IJEE OCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874344122 YAUVWMUCTINAJZ-WYMPLXKRSA-N 440.878 4.508 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)cc1 1874422180 YVTWVRUWHCXXCE-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1F)Nc1ccc(F)cc1 1874452892 SXSAJLUPSJQRCB-DHRITJCHSA-N 441.507 4.827 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccc1Cl 1874475180 NKWMHMZJCZTVHB-OEAKJJBVSA-N 427.961 4.887 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(OCC)cc1 1874485481 XZSFQMGPTBFLHV-LFVJCYFKSA-N 445.633 4.597 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(F)c2)c1C 1874489009 VRVGWGHGFODSOF-DHRITJCHSA-N 439.560 4.846 30 10 IJEE COc1cc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CC2)ccc1O 1874523145 YOEVOUYURKARRB-AUEPDCJTSA-N 432.908 4.837 30 10 IJEE CCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2cc(C)ccc2C)cc1 1874535322 YBGGOFYRYJYYOB-AFUMVMLFSA-N 437.569 4.687 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccco1 1874588950 MRMKABNRRWDEFT-MDZDMXLPSA-N 439.895 4.841 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1F 1874707308 ZDOZHDSFFLMICG-DHZHZOJOSA-N 436.435 4.967 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)c1 1874714838 QIANJHNVWRTLLV-JLHYYAGUSA-N 448.471 4.593 30 10 IJEE CCN[C@H](C#Cc1cccs1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1900756761 FZJHRPKMVCZPMU-QIJUGHKUSA-N 428.598 4.576 30 10 IJEE C=CCN(C[C@H](O)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1930723710 KFTNSPWSYYCSGA-ZDUSSCGKSA-N 435.156 4.668 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 1937324077 IAKLCLLZHLFNAU-UHFFFAOYSA-N 435.487 4.763 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1991568321 KNFKPPVTNFBMRO-FQEVSTJZSA-N 431.524 4.951 30 10 IJEE C=C(C[C@@H](NCCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)OC 2004194711 RRWBCLONNWTIFK-RDGATRHJSA-N 432.605 4.749 30 10 IJEE CN(CCN(Cc1ccccc1)Cc1ccc(F)c(C#CCCO)c1)Cc1ccccc1 2034751440 NEOMOAGBAGOAMU-UHFFFAOYSA-N 430.567 4.694 30 10 IJEE C#CC[C@H](C[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2075971094 RLYULAIOESNOCZ-DNQXCXABSA-N 440.628 4.737 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2080053180 RVIHBOJXMSJBKY-GOSISDBHSA-N 435.309 4.881 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1Br 2080184060 HEFXYTYOOHVFHF-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2C(F)(F)F)c1I 2080798527 NGGQBLCPFQPVMA-UHFFFAOYSA-N 438.084 4.868 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCNc2ccc(C#N)c(Br)c2F)C1 2106043276 UHSIDDXZOUPACY-TZMCWYRMSA-N 426.330 4.955 30 10 IJEE CCN(CC(C)(C)CNC(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2118191660 HWFJMERBBNNKTP-UHFFFAOYSA-N 428.346 4.837 30 10 IJEE N#Cc1ccc(Br)cc1N[C@@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2156350989 CIOIHFUTMLHUME-FQEVSTJZSA-N 426.358 4.556 30 10 IJEE CCN[C@H](C#CC(C)(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2213312496 AVHLBQMEPQZOEP-GJZUVCINSA-N 428.617 4.858 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(F)c2F)C1 2231319317 MMQOXUUXSUCLME-UHFFFAOYSA-N 431.277 4.527 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2235733217 ZTYXXXGLGWAYCC-KNQAVFIVSA-N 435.406 4.672 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404142 CIJKISVEMGZVRO-RTBURBONSA-N 437.422 4.913 30 10 IJEE C=CCCC1([C@H](N)Cc2ccc(F)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266311642 BSJNAZSQRZSDLB-QGZVFWFLSA-N 427.358 4.661 30 10 IJEE CC1(C)OB(C2(C(=O)NC3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)CCC2)OC1(C)C 2266991510 HOOKPADWSIILAT-FRIKZZABSA-N 438.421 4.705 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@@H](O)C#Cc1ccccc1Br 2283505421 DGGRGRJXAYJTEH-KRWDZBQOSA-N 432.314 4.890 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H](C)C1 2296267695 WGYNRIRGXCCHNQ-NBCNXNJRSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2296298945 PJQOGMHWVJFTDL-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CCN=C1SC(=Cc2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C(=O)N1CC 2313557172 WFJNECPZYSYCNF-UHFFFAOYSA-N 433.533 4.700 30 10 IJEE CCN[C@H](C#C[C@@H]1CC1(C)C)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2317330883 QQQDCMJNZBCBAL-NOTUOJBMSA-N 440.628 4.858 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cccc1OC 2322880673 JOGFBSILVOSLOY-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3ccccc3OC)cs2)ccc1OC(C)=O 2324455700 IOLMUVSAPCOVTD-SFHVURJKSA-N 448.500 4.642 30 10 IJEE CSc1ccc(C=CC(=O)C(=O)Nc2ccc(I)cc2C)cc1 2325576416 QAVMPRLPTXMBFQ-UHFFFAOYSA-N 437.302 4.543 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1cc(OC)ccc1OC 2325733715 LXGAPDRUWASBJQ-HSZRJFAPSA-N 444.616 4.965 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OC)c(O)c2Br)c(OC)cc1Cl 2325789017 JMRBJASCBSFOBV-UHFFFAOYSA-N 427.678 4.730 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cccc(OCC)c1 2326797645 IIOCLGLFSPBMOW-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C(=O)OC(C)C)o2)cc1 2326867736 KVIZQZMSOUEISP-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE C(=Nn1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)c1ccc[nH]1 2328746460 FGVPVJVBRPPMDV-UHFFFAOYSA-N 431.565 4.835 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1 2330045585 MUOGTTMWEICARX-UHFFFAOYSA-N 442.972 4.758 30 10 IJEE OCCCSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Br)cc1 2330284769 WVYIRXMVRULTOH-UHFFFAOYSA-N 437.407 4.520 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339588104 DAAYBBSFPWHBQB-IBGZPJMESA-N 444.381 4.752 30 10 IJEE N#CCc1cccc(NCc2ccc(I)c(Br)c2)c1 2349863332 WQRCTVCBYBRHLL-UHFFFAOYSA-N 427.083 4.732 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Br)cc(COC)c2)C1 2362290494 JMQLHTKQIICYND-GOSISDBHSA-N 439.394 4.860 30 10 IJEE O=C1/C(=N\Nc2cccc3ccccc23)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 27496988 KQEKOZKZFPKCIW-PNHLSOANSA-N 435.443 4.967 30 10 IJEE Cc1cc(C)cc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)c1 38623059 BPIZRIXIDNYFQE-RTBURBONSA-N 430.504 4.610 30 10 IJEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2OC)C4)cc1 41646719 YYSHZQFUHPCISH-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 102530360 TVKSCAWUSKTCBO-HMNTXPNISA-N 440.710 4.715 30 10 IJEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc3ccccc23)c1 108012001 JUGLTSJOKCRNFX-RWEWTDSWSA-N 435.549 4.685 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(OC)c2)cc1 169928552 FFWQMPREMHMWQS-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(O)c(OCC)c1 169974626 DBMVHGKPPPQMOR-IBGZPJMESA-N 444.553 4.633 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccncc2)cc1 170020030 GMVUCNFKBBMFSJ-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc(F)cc1 170041502 LFSNIDHIBHLFOK-LJQANCHMSA-N 427.815 4.556 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)cc1 170052676 KIKYVBNZOUXKRX-JOCHJYFZSA-N 444.443 4.776 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 170064157 IOFSDWOHNGCLEO-NRFANRHFSA-N 439.389 4.895 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccco1)c1cc2ccccc2o1 170099193 OBSBRYTWITYEKY-HXUWFJFHSA-N 443.390 4.824 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(C)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170146096 OXGUISMMQPAWFZ-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccs1 170154903 HEDKFVNJTBGQQC-FQEVSTJZSA-N 429.538 4.539 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)cc1 170175937 PUIMJNWQNGAGBG-HSZRJFAPSA-N 439.471 4.523 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccn1)c1cccc(Cl)c1 170176580 QDWIGLCXSUVQBS-LJQANCHMSA-N 426.806 4.796 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccnc1 170184686 VRYXCTZFASUSCZ-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccnc2)c(C)c1 170190507 KACDZLQETUMXGB-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170208848 VGMFONAHUSXHHS-NRFANRHFSA-N 445.862 4.655 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccco1 170291955 KCPWFXXKVJIJFQ-OAQYLSRUSA-N 435.476 4.957 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2CCC)c1 170324244 KVMLIJXWMLAEBE-NRFANRHFSA-N 441.911 4.902 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)ccc1O 170465964 ONHVAXSOINDQHG-JOCHJYFZSA-N 437.536 4.919 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1cc(Cl)ccc1OC 252627211 ROVSFDMUZJHHOP-LJQANCHMSA-N 445.972 4.946 30 10 IJEE CC(C)(C)c1ccc(OCCOc2ccc(C=NN3C(=O)CSC3=S)cc2)cc1 254397439 ANZHOZSRXHAAAE-UHFFFAOYSA-N 428.579 4.636 30 10 IJEE N#Cc1cccc(CNc2ccc(I)cc2Br)c1F 311713141 KHXAERBUMRXDIP-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE Cc1cc(C#N)ccc1CNc1ccc(I)c(Br)c1 311717505 LHHJDOLVUGDIAI-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE N#C[C@@H](C(=O)c1cccc(-c2cscn2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 442610030 NBFILGAQNVLCQZ-HNNXBMFYSA-N 432.530 4.889 30 10 IJEE C=C(C)[C@@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(F)c(F)c1 472187759 KPUMHGKIHBBVIE-LADRWXRNSA-N 431.449 4.687 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)o2)cc1 505317916 BBPSGSZHCJCXPA-KRWDZBQOSA-N 430.291 4.971 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 508957014 VZJTVISRYPGYQV-HTAPYJJXSA-N 440.494 4.769 30 10 IJEE O=[N+]([O-])c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 526800006 MAKLAKVUHVIVRH-JLPGSUDCSA-N 429.505 4.952 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(OC)c(OC)cc1OC 526804097 FUDXCONUEOZVQZ-OYKKKHCWSA-N 440.569 4.739 30 10 IJEE Cc1nnc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(C#N)c1C 545977953 AJYFOVOMCQAQNQ-MRXNPFEDSA-N 430.352 4.581 30 10 IJEE Cc1nc(-c2ccccc2)sc1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 589747593 GWLXORIXRSDIMW-UHFFFAOYSA-N 429.467 4.988 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(c2nc(-c3ccccc3)cs2)CC1 611556283 KOQVHSPWDQCNIC-DEOSSOPVSA-N 439.581 4.778 30 10 IJEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc(Br)c1O 698852405 DWWUFJFZHMHLSG-OAHLLOKOSA-N 425.323 4.908 30 10 IJEE CC[C@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 716138951 VIPHLSGOYBBTTH-DEOSSOPVSA-N 445.560 4.976 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc2ccccc2c1 733202767 XATYQNBNTRHJQT-QFIPXVFZSA-N 443.528 4.529 30 10 IJEE C=CCN1C(=O)N[C@H](c2cnc(-c3ccccn3)s2)C(C(=O)Nc2ccc(F)cc2)=C1C 753383191 NIQOBWWVCVEWOO-HXUWFJFHSA-N 449.511 4.509 30 10 IJEE C#CCOc1cccc(-c2noc([C@H]3CCCN(c4ncccc4C(F)(F)F)C3)n2)c1 761784533 FHWFOINVJCLREG-INIZCTEOSA-N 428.414 4.546 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 764545957 CFNCTSSAJVNCFK-GOEBONIOSA-N 427.998 4.745 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1=S 764961884 IKDVVPQALHHMRH-UGKGYDQZSA-N 436.581 4.599 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(C(F)F)nn(C)c2s1 796632985 MGYDWPKOTJEHAB-CQSZACIVSA-N 430.480 4.658 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(O)(c2ccccc2Cl)CC1 800777002 RLJDURUMTRLTMD-UHFFFAOYSA-N 447.970 4.764 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccc(F)cc1 812749684 XKTPIMAPJZFCJV-RBUKOAKNSA-N 445.922 4.629 30 10 IJEE CC(C)c1cccc(O[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 919449254 BYHFDBDXHNILKW-CABCVRRESA-N 426.538 4.570 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)cc1 1125155934 QJERLZMHBCNGHI-HSZRJFAPSA-N 448.588 4.848 30 10 IJEE C#CCN(C(=O)CCc1ccc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 1126151603 RLLGFLGBSKNADJ-NRFANRHFSA-N 426.354 4.984 30 10 IJEE Cc1nn(C)c(Br)c1C(=O)OCc1ccccc1Oc1ccccc1C#N 1128874621 GOKZTDASUCOVKU-UHFFFAOYSA-N 426.270 4.512 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1ccc(F)cc1 1129716596 IJFXGQQQFDJWKK-OFNKIYASSA-N 436.527 4.875 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1Br 1136581676 BMLYWKPXLWWFPE-QGZVFWFLSA-N 448.292 4.664 30 10 IJEE CCCc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc(O)n1 1141873572 BHSVERSOVLECHV-UHFFFAOYSA-N 446.454 4.930 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1(C)C 1142722334 CVDDQDKSIJGGNN-SFTDATJTSA-N 434.540 4.723 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1(C)C 1161809722 FUULLFACRVVCJG-NRFANRHFSA-N 434.540 4.820 30 10 IJEE C=C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1167008744 ZOVKXQMDYDVZIT-FGTMMUONSA-N 426.479 4.508 30 10 IJEE CN(C)S(=O)(=O)c1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 1178908651 CIPRPVXNOUPGIJ-UHFFFAOYSA-N 444.372 4.726 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1OC 1182203978 OLIZHJLFJQMBGU-SJLPKXTDSA-N 438.996 4.896 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 1186532899 JPLOATHXAZLVLW-QFIPXVFZSA-N 444.984 4.595 30 10 IJEE C=CCCn1cc(CNc2ncnc3scc(-c4ccc(Br)cc4)c23)nn1 1186757670 ZAIJNCHPNPRVQZ-UHFFFAOYSA-N 441.358 4.901 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1OCC 1201676139 MDLJTSJBLWFDAR-GOSISDBHSA-N 442.394 4.869 30 10 IJEE COc1cc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)ccc1Br 1202434353 FOAZHYCGOPLSQK-UHFFFAOYSA-N 446.692 4.812 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1)c1ccccc1 1224523706 WSIZAEHHCBKAFF-OAQYLSRUSA-N 435.959 4.755 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cc(Br)c2ccccc2c1 1248616096 TZWZHKQMKBWGHA-UHFFFAOYSA-N 443.341 4.976 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Br)nn1-c1ncccc1Cl 1271342982 QAGFPQNDFGLYNH-UHFFFAOYSA-N 445.748 4.902 30 10 IJEE C#CCO[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1Br)CCC2 1271573381 ICJPMYNJLHJFNP-CYBMUJFWSA-N 446.366 4.516 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1)c1ccc(Cl)cc1 1275447697 KIRGPNWDMOJSFI-YPAWHYETSA-N 435.980 4.503 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1)C(C)(C)C 1275502888 OTRMRKBXEGJOLR-NRFANRHFSA-N 448.592 4.508 30 10 IJEE C=CCc1ccc(OCC(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)c(OC)c1 1277655764 NANZMNINPFHQOY-UHFFFAOYSA-N 449.469 4.939 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCS1 1286421204 WHXVTNRLUXEMKZ-YADHBBJMSA-N 436.625 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286557516 IZFAFPAENIXRML-FQOCKNPQSA-N 426.580 4.790 30 10 IJEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2OC2CCCC2)CC1 1286637912 PENVRQYXAZMDCB-FQEVSTJZSA-N 440.588 4.528 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 1286679272 MWORYPMXPIXZLN-SYVJQLTCSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1286691319 DWIKNBAIMUTUAG-QFIPXVFZSA-N 449.020 4.576 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 1286796567 NCVMHONLJRYYIE-QFIPXVFZSA-N 426.605 4.874 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ncccc2C)c1 1289458795 FEFBIBGVNZRBOY-FQEVSTJZSA-N 432.572 4.779 30 10 IJEE Cc1cccc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)n1 1290016401 GYUFREDKNKUBQL-AWEZNQCLSA-N 429.355 4.794 30 10 IJEE CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCNc1ncc(Cl)cc1Cl 1294481074 IDTLTSIMPIJUBU-UHFFFAOYSA-N 444.370 4.867 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)ccc1Cl 1295083137 XXLTZOCLECEMCP-MSOLQXFVSA-N 447.000 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(O)(CCC)CCC 1300284897 VMIJVOOQUDSLCT-MSOLQXFVSA-N 428.646 4.921 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC2(CCCC2)C1 1300342110 OHAXSGDSOLKZHO-JOCHJYFZSA-N 436.600 4.988 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1300417201 PPPFDLGHDVNORZ-URXFXBBRSA-N 447.652 4.833 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 1300423148 IZEGXJYRUGBGAH-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCCC(C)C 1300564036 RIEMLCDLXFOTHT-UHFFFAOYSA-N 438.641 4.801 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1Cc1cccs1 1300930437 CPJVAXAZKPWSRY-OAHLLOKOSA-N 432.391 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOCC2(CC2)C1 1301143748 QDIKNAHZEHXHBN-UHFFFAOYSA-N 430.980 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301155924 ZSGPTOLKPVUUAA-UHFFFAOYSA-N 446.643 4.807 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SC)c1)C1CC1 1301313891 IQZBROZBWAQZEK-INIZCTEOSA-N 439.560 4.877 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC[C@@H](C)N1CCCCC1 1301351489 UICPMIPJYPWKIJ-OAQYLSRUSA-N 448.590 4.936 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1301415408 TZLOZHQCHKXRJT-FPOVZHCZSA-N 432.996 4.689 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1cccs1 1301417699 WHDZBUQRZKSUQB-UHFFFAOYSA-N 433.581 4.745 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1301474687 FVUBTUNCRHQQAI-GSPCLOLRSA-N 438.616 4.987 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(F)ccc(F)c2C1 1301602896 YLKSPEXOIHHMDO-UHFFFAOYSA-N 447.942 4.754 30 10 IJEE CC1(C)CC(=O)c2cnc(SCC(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)nc2C1 1307367917 DQISCXJXLGRAMK-HNNXBMFYSA-N 448.573 4.724 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)C3CCN(C(C)C)CC3)c2C#N)C1 1307448871 DHWLFUSGSMNFPO-SFHVURJKSA-N 444.689 4.904 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCc3cc(Br)ccc32)n(-c2ccccc2)c1C 1307592164 GDVBRIVJCMVADV-UHFFFAOYSA-N 449.352 4.730 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 1313065815 XATKUZVOTFYVKP-INIZCTEOSA-N 433.350 4.948 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1)c1nc(-c2ccccc2)cs1 1350012817 PHUVHGDDNRLVRW-HXUWFJFHSA-N 431.561 4.999 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(Cl)c(I)cc1OC 1353117301 GMKVSCVSZYSIOT-UHFFFAOYSA-N 441.696 4.782 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)c1 1358006981 IVYRINZVIHHZTN-UHFFFAOYSA-N 435.483 4.684 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@H](C)c1cc(F)ccc1C 1358153620 FZLFDDAURLNOOQ-CYBMUJFWSA-N 436.277 4.850 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(Oc2ncccc2F)CC1 1358925586 KRUKTEBVNQRYFQ-UHFFFAOYSA-N 439.922 4.594 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1scnc1C 1358943012 SBRWAAGHDLAHRB-UHFFFAOYSA-N 437.569 4.890 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1359083194 DHWGKWDELYIILT-INIZCTEOSA-N 436.423 4.993 30 10 IJEE C=C(C)Cn1c(N2CCC(C)(c3ccc(C)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359125310 XWHMTEBHWCRLCM-SANMLTNESA-N 438.616 4.761 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ncc(CC)s2)CC1 1359161066 OHBSKMZGMFSCGQ-UHFFFAOYSA-N 444.402 4.931 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[S@@](=O)C(C)(C)C)CC1 1359161929 VSLCCZGBVFUXLX-NOVUIFNWSA-N 446.686 4.835 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](F)C2)CC1 1359181955 NINMWMXGSZCTOO-AABGKKOBSA-N 447.599 4.891 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2C1 1359198074 HKEFQETYADZMPE-UHFFFAOYSA-N 440.389 4.965 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@H]1C 1359223866 YGDIZPCJTQZEAA-JKSUJKDBSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[C@H]1C 1359262014 DNDDBBZWPMALMO-ZIAGYGMSSA-N 432.391 4.946 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCC(=O)Nc1ccccc1 1359263310 XVDLAQVXUIVUKI-UHFFFAOYSA-N 444.564 4.623 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1)c1cccnc1 1359658354 AHSFBGYHZCNGGW-NRFANRHFSA-N 436.510 4.887 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(-n2ccc(C)n2)c1 1360644272 UUUIEPMCHIVAKA-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 1436641296 IQEISVBORJJJAQ-DZGCQCFKSA-N 439.350 4.598 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC(C)=O)C(C)C 1450240988 WLDXKXGCNCHCRL-RUZDIDTESA-N 448.563 4.686 30 10 IJEE CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1450291361 GIRITZQOFRRHMN-UHFFFAOYSA-N 438.531 4.565 30 10 IJEE C#CCSc1ccc(COC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 1459023873 JSRGNANKLRZYLJ-UHFFFAOYSA-N 441.508 4.565 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccc(CC)c(Cl)c3)CC2)cc1OC 1459984772 HGRGIFRTYYVVIP-YRNVUSSQSA-N 440.971 4.838 30 10 IJEE N#Cc1ccc2nc(NC(=O)[C@@H](Oc3ccc(Br)cc3)c3ccccc3)[nH]c2c1 1461916465 GWQUUDJJWSGBPY-FQEVSTJZSA-N 447.292 4.956 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCOC)Cc3cc(Br)cs3)cc21 1467381372 IZMZLPHJRIDJMA-UHFFFAOYSA-N 449.374 4.727 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)c1ccc(Br)cc1F)C(C)C 1467660191 JWIYHFWHQCULFC-HNAYVOBHSA-N 426.374 4.647 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(I)c2)cc1OC 1469236013 RSWKOEJPDVWCTA-UHFFFAOYSA-N 443.668 4.770 30 10 IJEE C=CCn1c(SCCOc2cc(F)cc(Br)c2)nc2ccccc2c1=O 1472924540 XODNOOABLFIWPU-UHFFFAOYSA-N 435.318 4.655 30 10 IJEE C=CC[C@H]1CCCN(C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)C1 1478360006 XOCGWTAEBPSIOT-ZDUSSCGKSA-N 435.284 4.844 30 10 IJEE C=CCC1(O)CCN(C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 1478772505 ZSKDXMSWLFGRTK-JOCHJYFZSA-N 428.960 4.711 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccsc1 1503478016 ACTWYJFYDWDNPE-NHCUHLMSSA-N 435.597 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1ccsc1)N(C)C 1507517740 JIYHOPHZXWLXCZ-SIKLNZKXSA-N 433.625 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(CC)C(C)C 1507518305 UCUQNRJYCLGAEE-WOJBJXKFSA-N 446.039 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCOC(C)C 1507660888 GSEXZAXMPKFOSQ-UHFFFAOYSA-N 426.973 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)c1c(C)noc1C 1507664237 IKHWYSRVIUAWNG-HNNXBMFYSA-N 439.922 4.609 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCN1CCC(C)CC1 1507701134 ZEZOUOLRNFDSPD-UHFFFAOYSA-N 449.574 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1ccccn1 1507763532 CLPKDBZCUOFEOT-QFQXNSOFSA-N 429.568 4.665 30 10 IJEE C=C(Br)Cn1c(N2CCC(COC)CC2)nnc1C1(c2ccccc2)CCC1 1507793838 UFTZMTSDNDQKAA-UHFFFAOYSA-N 445.405 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCN(C)c1ccccc1 1507810755 YBWVZKRZLQRZJG-RCZVLFRGSA-N 437.632 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1csc([C@H](C)OC)n1 1507814735 DKCMXZSSKNDZRO-INIZCTEOSA-N 429.565 4.623 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1507845922 TZQRNQJTGPVNIB-UHFFFAOYSA-N 431.528 4.571 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1)c1ccccc1 1507930656 YSKDTLHRHJDSTJ-HSZRJFAPSA-N 449.643 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccnc(SCC)c1 1507971435 SXXYCPJZPPTEAO-UHFFFAOYSA-N 444.402 4.885 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cn2ccsc2n1 1507986540 PQEMBYZPYBLKCY-UHFFFAOYSA-N 449.367 4.544 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnccc1OC)C1CC1 1507989132 YMSXOLPDBYCRFI-IBGZPJMESA-N 433.556 4.642 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@](C)(O)c1cccs1 1507999731 QIFOIITXPSQBHQ-XMMPIXPASA-N 435.597 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC1(c2ccccc2)CCOCC1 1508017659 FTWCCCWWZZODAF-UHFFFAOYSA-N 429.568 4.575 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1Cc1cccnc1OC1CCCC1 1508551777 DAYUDPJBPKWQGE-UHFFFAOYSA-N 436.604 4.761 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C)c1ccsc1 1515522641 FRCMKTFTIRITQY-AVRDEDQJSA-N 434.613 4.950 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2CC2CCC(C(F)(F)F)CC2)C1 1521069179 FSSUFLLXWWYJQE-OBFZPWGMSA-N 449.496 4.874 30 10 IJEE C#CCOc1ccccc1CNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 1521849589 NSUCIPPHEODOAF-UHFFFAOYSA-N 442.346 4.667 30 10 IJEE N#Cc1cc(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)ccc1OC(F)(F)F 1524180632 HHOGMSPOWRUMFB-UHFFFAOYSA-N 447.394 4.604 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(C)ccc2CC)nnc1-c1ccc(Cl)cc1 1528481257 RQSZPGPSUMWSRR-UHFFFAOYSA-N 427.961 4.781 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2cc(Cl)cc(Br)c2)c(OC)c1 1528482451 PZKPEJJSWPVBCE-UHFFFAOYSA-N 425.706 4.962 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1528528197 QGXVCFWBMWAJEF-LQWHRVPQSA-N 447.417 4.861 30 10 IJEE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(c2ccccc2C#N)C2CCC2)cc1 1528686191 CHWFITNYJXHXKO-UHFFFAOYSA-N 439.581 4.568 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCCc3ccccc32)cc1 1529847696 GNDSIQPFFCWKTO-UHFFFAOYSA-N 425.532 4.931 30 10 IJEE C#CCCOc1ccc(C(=O)N(C2CC2)[C@@H](C(=O)OCC)c2ccc(Cl)cc2)cc1 1531266691 MWEPTIWWFWJZEC-JOCHJYFZSA-N 425.912 4.651 30 10 IJEE C=CC[C@]1(C(=O)NCc2c(Cl)cccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1532265016 QSEGGFSFNQYNLZ-OAQYLSRUSA-N 444.906 4.903 30 10 IJEE C=C1CCC(C(=O)N2C[C@H](C[C@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)CC1 1536018697 VDUTWYQAUZDYDW-SFTDATJTSA-N 440.584 4.889 30 10 IJEE Cc1c(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1538426325 DGZXRGOZUXSIQL-WMZOPIPTSA-N 427.570 4.895 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCSc1nccs1 1538970725 FASATVKGWJRZPE-CVEARBPZSA-N 445.589 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCc1cccc(C)n1 1539306704 KBXMHQOJSPTWBQ-UHFFFAOYSA-N 435.934 4.537 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCC[C@H]1CC 1539338179 PQFPYMKWESRTPI-RTWAWAEBSA-N 436.625 4.868 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)N(CC)CC 1539344827 KWRODOZVCNYXGQ-SFHVURJKSA-N 436.629 4.567 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539735670 RKYNQLYRWBZFLL-RUZDIDTESA-N 426.605 4.742 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1539774595 CVYZMTZOJIGGEK-BBWFWOEESA-N 437.009 4.900 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1539925950 FKOBUHZVZIKPNG-GGAORHGYSA-N 448.615 4.708 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1Cc1nnc(C(C)(C)C)s1 1540187244 MLCAPJLWEWZQCS-UHFFFAOYSA-N 426.590 4.571 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCOc1cccc(Cl)c1Cl 1542247466 PJABJEVWBVENDF-UHFFFAOYSA-N 432.307 4.553 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cccc(CCCOC(C)=O)c2)s1 1546082423 RNDZEQGXYMTHEW-UHFFFAOYSA-N 439.002 4.973 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Cl)c(O)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1557586638 QNDKHUZDNCLUKE-HSZRJFAPSA-N 428.916 4.930 30 10 IJEE C#CCOc1ccc(NC(=O)c2nn(-c3cc(Cl)c(Cl)cc3Cl)cc2O)cc1 1558931246 CORJABOAVNVKJZ-UHFFFAOYSA-N 436.682 4.802 30 10 IJEE N#Cc1cn(Cc2cc(-c3ccccc3Cl)on2)c2ccc(Br)cc2c1=O 1559369488 CIBRRYFTWGLFTA-UHFFFAOYSA-N 440.684 4.992 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC)c1ccc(F)cc1 1564996521 ZNRHMTUJJCRQDB-RTBURBONSA-N 431.305 4.818 30 10 IJEE C#CC[C@H]1CCCN(C(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1570662125 RLDKRFHYRXTDCN-FQEVSTJZSA-N 430.548 4.519 30 10 IJEE C#CC1(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)CCCC1 1583333044 SINLRDYMXVFJOR-UHFFFAOYSA-N 430.504 4.603 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)c1ccc(Cl)cc1 1584688937 DUVFAGCZPWCMCU-QGZVFWFLSA-N 428.294 4.911 30 10 IJEE C=CCN(C(=O)c1c(F)cc(C(F)(F)F)cc1F)[C@H](Cc1ccccc1)C(=O)OCC 1585015513 LIBPCOPYEMHVQH-GOSISDBHSA-N 441.396 4.786 30 10 IJEE C#Cc1cccc(N(CC)C(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)c1 1585089987 KNIMOGWJGDASRW-QFIPXVFZSA-N 432.520 4.903 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1587707123 WOYBWOHHSWNHCN-XMSQKQJNSA-N 438.503 4.532 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@](C)(OC)C1 1587879608 XKXATUMCRBMIBB-XMMPIXPASA-N 445.007 4.670 30 10 IJEE C=C[C@H](CC)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1588118375 DNSBXCMWKOGZEX-HMHNVIDESA-N 427.353 4.748 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CCSCC 1589514159 DJBYMJYZDTZAQO-QIJUGHKUSA-N 439.629 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cscn1 1589515197 MALSDNYVZTUSDJ-KXBFYZLASA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ncccc1N(C)C 1589599691 JOPITYUPHADDKX-OAQYLSRUSA-N 448.615 4.947 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)N2CCC(C)CC2)CC1 1594127614 AYUIGSBWUMZONI-QFIPXVFZSA-N 437.632 4.696 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1594544859 NMXCZTWLOYWIIN-HSZRJFAPSA-N 444.627 4.975 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F 1594802545 CCLQBTTWFLRESI-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCc1nccs1 1594997656 JSQGCGOSCDQMJL-UHFFFAOYSA-N 425.602 4.866 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CCC(=O)N1CCCCCC1 1595127229 JOOQBIAPHYDLRL-FQEVSTJZSA-N 441.595 4.916 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN(CC(C)C)C1 1595190461 CKBYBUBEZBKFDA-IBGZPJMESA-N 429.012 4.540 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(F)c(N4CCOCC4)c(F)c3)c2C#N)C1 1595552833 BBRTUBGCQRCLIP-CQSZACIVSA-N 445.535 4.748 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2N2CCN(CCc3ccncc3)CC2)CCCCC1 1611257968 SLVHTDYUEFPVAN-UHFFFAOYSA-N 432.612 4.911 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1I 1617458829 OBBWWHUXDPDJCO-XHDPSFHLSA-N 448.142 4.918 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1 1623299520 DCGQQJQLFHHXBU-CBVHJVASSA-N 427.346 4.811 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cc2n1 1626671103 KDUZXLAHIJCTKO-UHFFFAOYSA-N 429.377 4.818 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1628462327 YDZDZHATZWCJIU-FQELHTAISA-N 435.524 4.837 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(C)C 1628517004 HMPQJEOIDBSGER-BFYDXBDKSA-N 443.476 4.894 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)c1ccccc1 1633305883 LINYBMXMEQOXIQ-GDBMZVCRSA-N 435.387 4.843 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(OC)cc1)c1ccco1 1642907573 PXEILTXLUOATFI-PZJWPPBQSA-N 428.529 4.743 30 10 IJEE C#CCN(CC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC)Cc1ccccc1 1643015386 KYMLNFVQXIEHMT-UHFFFAOYSA-N 446.572 4.974 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1644719114 OAKNADUKVFIOBZ-UHFFFAOYSA-N 438.418 4.546 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 1645353698 MUZSROXLBYFVHU-WMZHIEFXSA-N 426.582 4.969 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CCCC1(C)C 1649411667 DONZVJSVGLNCMD-VQIMIIECSA-N 425.495 4.940 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 1652234581 HQUPDVZJIWBFDM-CQSZACIVSA-N 437.327 4.629 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@H](C)C3 1652492449 LXFSQQBOOWKFBG-JXFKEZNVSA-N 440.634 4.855 30 10 IJEE CC(C)CN(CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 1653241533 CNOAQQUGASWNNM-QGZVFWFLSA-N 433.474 4.792 30 10 IJEE Cc1ccc(C)c(-n2c(SC[C@H](O)CC#N)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1655992160 FAWHEXDRSHBMAW-GDBMZVCRSA-N 439.606 4.556 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl 1660158090 HLSCOGNNPIRZGO-JOCHJYFZSA-N 444.915 4.736 30 10 IJEE CCCc1c(NC(=O)N[C@H](C)c2ccc(OC)cc2OC)cnn1-c1cccc(C#N)c1 1660854067 DKGWMVLFVTVJPH-MRXNPFEDSA-N 433.512 4.596 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CCCCC1 1669520996 RISIPWKCNQQMPN-UHFFFAOYSA-N 427.570 4.566 30 10 IJEE C#CCC1(NC(=O)N[C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)CCOCC1 1670958471 SEEBUGMXCDXUSR-NRFANRHFSA-N 446.469 4.675 30 10 IJEE CN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CCN(CCC(F)(F)F)CC1 1672087282 ARVXDFVVEFJUSV-UHFFFAOYSA-N 426.483 4.616 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1678533395 GSFAAUAWVLOKIJ-RUZDIDTESA-N 439.515 4.792 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1679193248 BFWZWIUYRPLSDC-SFTDATJTSA-N 429.561 4.958 30 10 IJEE C#C[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccc(F)cc1 1682348199 CACRHIHSJDUKML-GHTZIAJQSA-N 437.515 4.728 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@H]1CC 1689850273 ZBWPMHKKOJDZSW-DOIPELPJSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1689900628 LEBLZQJJIOAUAJ-XMSQKQJNSA-N 438.572 4.839 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C1CCCCC1 1689951189 ODGJMYPURZLLJY-UHFFFAOYSA-N 425.646 4.609 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690243319 JJFBLKRWCJNHBG-WIYYLYMNSA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)c1c(C)noc1C 1690261752 YRCACJANEGCQHS-GOSISDBHSA-N 445.571 4.942 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690280116 XZQPPNZEYIDRHY-MRXNPFEDSA-N 449.368 4.554 30 10 IJEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CN(C)CCCC)CC1 1690283119 YIYBFDISWMTJOB-UHFFFAOYSA-N 447.631 4.655 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccco1 1690437982 VYHYQJYDTOAZEF-QGZVFWFLSA-N 439.585 4.806 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccco2)C1 1690442332 QMEJIXWHZRYPRF-HLAWJBBLSA-N 442.604 4.970 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@H](CC)C1)c1ccccc1 1690444664 KOHJQQIMUAQBGV-DHIUTWEWSA-N 433.625 4.956 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[C@H](C)N2CCCCC2)C1 1690690151 SBAAWKAMFCZUIZ-URXFXBBRSA-N 437.632 4.553 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC2CC2)n1Cc1ccccc1Br 1692348622 BDWJIMTUQFVYNB-UHFFFAOYSA-N 430.394 4.808 30 10 IJEE CO[C@](C)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1697097142 GHGRZRWABCSPBS-GAZXMLTASA-N 441.551 4.502 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)N(CC)CC 1705591582 FUVOCABKLAHSHV-QFIPXVFZSA-N 449.986 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC[C@@H]1C 1705695292 BKXZMVNMVTUHQD-IZBOUPIGSA-N 438.616 4.805 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(Oc3ccc(C)cc3)CC2)nnc1C(C)(C)C 1705707474 LQZGEDFODZWLBT-NZQKXSOJSA-N 438.616 4.913 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)C1CC1 1705710052 HNNKSLYHBWXMNO-OAQYLSRUSA-N 430.556 4.522 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCC(F)(F)F 1705732228 RZLLRJFOKCUALJ-UHFFFAOYSA-N 447.299 4.689 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)OC)CC1 1705785927 BOFMDLFORMODNP-KRWDZBQOSA-N 444.551 4.549 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705800976 PGBRIUKJEKFLDB-MRXNPFEDSA-N 432.849 4.861 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1705804602 HAZVUFZCSMPOHF-YOFSQIOKSA-N 429.609 4.879 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1nc(C)cs1)C1CC1 1705851070 TZNLIPPRFDXJIK-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1705855200 XVKLAKPGRFXYCD-AWEZNQCLSA-N 438.906 4.630 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@H]1CCO[C@@H](C)C1 1705873558 NSUOHPKNYYCBAE-PMACEKPBSA-N 433.556 4.984 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1705946342 FUIVAHCSULLGII-UHFFFAOYSA-N 448.080 4.752 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCc1nccs1 1722303720 QUBFDSRKLRWVAB-SFHVURJKSA-N 437.613 4.702 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(Cc2cccs2)CC1 1722326221 FAXBBFZEIFETGR-QHCPKHFHSA-N 433.625 4.617 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC(c2ncc3n2CCCC3)CC1 1722477630 IESJJIQROZXAMV-OAHLLOKOSA-N 447.425 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1722505056 LZAUIWBFYWMEQR-NQIIRXRSSA-N 426.552 4.548 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ncc(CC)s1 1722505756 SEOCCTRSVFJSFO-XMSQKQJNSA-N 429.634 4.647 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1722594118 GENIFGUNADWPOW-NZQKXSOJSA-N 437.632 4.846 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCOc1ccc(Cl)cn1 1722658071 UPKIAKVUMRIHTC-UHFFFAOYSA-N 446.942 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1nc(C)c(C)s1 1722658766 LBSYZYBWMWSOGO-UHFFFAOYSA-N 430.581 4.578 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722684359 MSKYQJCVTBBRHJ-MRXNPFEDSA-N 449.393 4.686 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCCC[C@H](SC)C1 1722708256 NTXCYLFTSXSESY-QFIPXVFZSA-N 449.624 4.599 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](CC(C)C)N(C)C)c2ccccc2n1 1724203317 BFTBTUMNBHGQDV-WOJBJXKFSA-N 433.604 4.516 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)C1 1727304191 HJLDVBYRKXSOII-XUZZJYLKSA-N 434.613 4.808 30 10 IJEE C=C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](F)COC)CC1 1740819303 LLJAXJQAWNKZFN-GOSISDBHSA-N 427.549 4.518 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCSC2)CC1 1740834714 ADQJUZSMPNVQLT-DEOSSOPVSA-N 426.630 4.513 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCSC2(C)C)CC1 1740842103 MUHMOFPOHKALKM-GOSISDBHSA-N 430.593 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](CC)C1 1740845202 IEZFNXYFLVHSKQ-CQSZACIVSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(c2ccnn2C)CC1 1740849239 CLJKFBNBUKHFDZ-UHFFFAOYSA-N 432.616 4.897 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCc2cccnc21 1740893925 CCERDMCNAUAFHB-OAHLLOKOSA-N 444.402 4.906 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC1CCOCC1 1740901897 OYFQHRBOTMOZRE-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC=CCC1 1740919270 AHSQATAFAQUGNN-CPJSRVTESA-N 440.563 4.618 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)N(C)c1ccccc1 1740923668 RJJIWLQEMAJXLL-UXHICEINSA-N 437.613 4.561 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(N(CC)CC)CC1 1740944976 VLJUYRXOQHUFAY-UHFFFAOYSA-N 435.572 4.614 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ccsc2)C1 1740972323 GVDDAOUAQDHJEB-HKUYNNGSSA-N 442.560 4.643 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(C)CCCS2)C1 1740983885 RQKRBDNUXXHABD-YKSBVNFPSA-N 442.629 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1Cc1c(C)sc(C)c1Br 1748658127 NSFDPTRNJGTWAY-ZDUSSCGKSA-N 429.387 4.892 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCc1ccc(Br)s1 1749065991 FRVSJSJKNIFNPH-OXQOHEQNSA-N 449.418 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](CC)N1CCCC1 1749080483 OEXKINPGRQZJNQ-SQJMNOBHSA-N 437.657 4.745 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(Cl)s1 1749219529 LDBRCUWTKJNYHI-UHFFFAOYSA-N 432.977 4.898 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(C)(C)CN2CCCC2)CC1 1749294182 RCSABGWTRKUTJA-UHFFFAOYSA-N 444.023 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749368568 MIOBITMTSUPYSG-RTBURBONSA-N 433.641 4.818 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1OC 1749584741 PYPOEKZVXVRMOQ-ISKFKSNPSA-N 431.584 4.699 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C)s1 1749689541 GQVPZPQKSYEZBF-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749745667 DAPFLVKLZZNGOE-HSQYWUDLSA-N 442.629 4.896 30 10 IJEE CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 1750701345 GYLGMNNQMNDZHG-VQIMIIECSA-N 447.505 4.799 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCC1(F)F 1750792699 FNTSZXZJGUTJEY-FQEVSTJZSA-N 430.547 4.856 30 10 IJEE C[C@@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1752130273 HFKUQWRSFAEJIZ-NHCUHLMSSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1sc(C)nc1C 1760098093 OHTHKKWFXBODJF-UKRRQHHQSA-N 429.977 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCn1ccnc1C 1760103227 BBFMLHVWIHPUMR-GOSISDBHSA-N 436.629 4.719 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCc2sccc2C1 1760148711 JWDQOIVYSFLQBM-UHFFFAOYSA-N 445.361 4.884 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCC(F)(F)C1 1760222310 GCTILNWUSUTYEO-PWRODBHTSA-N 446.586 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC[C@@H](C)N(C)Cc1ccccc1 1760292558 DXEJEZAOMWNSIB-AJTFRIOCSA-N 442.611 4.551 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCOc1ccccc1Cl 1760296327 NFQZPAQLLIRQRA-JOCHJYFZSA-N 426.973 4.655 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C2CC2)C1 1760301656 GQNOEIOJECXJEK-OAHLLOKOSA-N 439.304 4.691 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](OC)C(C)(C)C)CC1 1760405150 MVUVRJPBRBIHJY-QFIPXVFZSA-N 426.605 4.937 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](COC(C)C)C1 1760433412 FNKIVXYMFKKMMF-ICSRJNTNSA-N 444.645 4.728 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCOC1 1760433630 JENOLKCPSLSUKQ-AWEZNQCLSA-N 439.785 4.800 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1760472150 XIJBAIUFNCZDDJ-GOSISDBHSA-N 441.576 4.648 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCOC[C@H]1C 1760477667 HMKINAPDNXDKET-WIYYLYMNSA-N 436.556 4.720 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC[C@H](O)C1 1760490888 MLUOZRNPXVEXRZ-NSHGMRRFSA-N 426.630 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)OCC 1760491053 RISMVOBAGUQHMV-UHFFFAOYSA-N 437.357 4.840 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2C)C1 1766795155 HBXHELFUGFZYEN-NRFANRHFSA-N 432.597 4.681 30 10 IJEE Cc1c(OCC(=O)OC2CCC(C(C)(C)C)CC2)c(=O)ccn1Cc1cccc(C#N)c1 1857918435 RGUHKKDOLADTMA-UHFFFAOYSA-N 436.552 4.604 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2c(F)cccc2Cl)cc1 1862397778 SBUURDNJAAHHTL-LHSJRXKWSA-N 445.918 4.781 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862414497 AYOWKYWDZRFPLN-GCJKJVERSA-N 441.474 4.846 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862447222 LJBGBOFTTSDBNW-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)cc1F 1862636649 LENWXAZVGYRMBP-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(F)c2)cc1F 1862637226 DPRUFGXQXOYTOU-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678083 NORFPXWVKVEGLF-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862741209 MYVZYLFARUEBJC-LJQANCHMSA-N 426.856 4.769 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862988504 QYDYRECIBIVSCE-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CC(=O)c1cccc(NC2=C(c3cc(C)ccc3C)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030467 FITPKRRXMAPUSF-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863123508 RHEYFNJSLCDIFM-UHFFFAOYSA-N 432.483 4.999 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1863211503 UNUVKXLFMIWIRK-HTAPYJJXSA-N 429.520 4.728 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccc(C(C)(C)C)cc1 1865125889 VYVSCOSRDSJYIZ-NRFANRHFSA-N 448.611 4.565 30 10 IJEE Cc1cc(OCCCC(=O)Nc2c(C#N)cnn2-c2ccccc2F)cc(C)c1Cl 1865935718 KRYUWOALPVONTE-UHFFFAOYSA-N 426.879 4.951 30 10 IJEE N#Cc1nnn(Cc2c(F)cccc2Cl)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870107152 VPLQNMLHMPOGLE-UHFFFAOYSA-N 427.911 4.536 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871428509 FMIWQVHEXPZBKU-UUYOSTAYSA-N 433.460 4.847 30 10 IJEE COc1cc(NC(=O)COc2ccc3c(c2C)OC(=C(C)C)C3=O)c(OC)cc1Cl 1871428760 QWFSSVAMERTUSR-UHFFFAOYSA-N 431.872 4.552 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)c(F)c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871442975 IEOIMYPOXMGIME-GRSHGNNSSA-N 427.428 4.968 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871462409 RQAZGDGQTHFIPK-STZFKDTASA-N 436.485 4.674 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871895853 DOUOWLJNBRLKBT-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872095702 UHMKAITZTJFYNE-JOCHJYFZSA-N 443.544 4.537 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872238028 SAXXJAFAEFZONZ-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872468209 YLEOKZVGLQXQCS-QFIPXVFZSA-N 432.561 4.618 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CCCC 1872579720 SWNAQJLFCBMGSG-JOCHJYFZSA-N 437.650 4.566 30 10 IJEE CC(C)CN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 1872766502 KISGFFZKXNCDKX-LJQANCHMSA-N 429.501 4.552 30 10 IJEE C=CCN(CC=C)c1nc(Nc2cccc(OCc3ccccc3)c2)c2cnn(C)c2n1 1873490804 SDMVKXVYBQKWJL-UHFFFAOYSA-N 426.524 4.864 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc(C(=O)O)cc1 1874201553 IAIOWOCHTCPAJT-ZMOGYAJESA-N 438.553 4.765 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874265114 WNQROTSFYYKIKU-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874320187 FHDVEMOUSVRIKX-FSJBWODESA-N 437.525 4.933 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2C)o1 1874460128 LBYCCZMEXSYQES-AUEPDCJTSA-N 438.431 4.550 30 10 IJEE CCOc1c(/C=N/n2c(COC)nnc2SCc2ccccc2Cl)cccc1OC 1874502251 YCJNOZZQIIBORR-FSJBWODESA-N 446.960 4.660 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(C)C)cc(OC)c1O 1874514859 KEQAAARHQIPLCM-FOKLQQMPSA-N 446.960 4.952 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)N[C@@H](C)c2ccccc2)c1 1874572503 QJVDPPGIPQMUEJ-VVLLFNJHSA-N 445.515 4.856 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c(Br)c1OCCCO 1874592928 JOXIYTWIOXHALO-PKNBQFBNSA-N 445.353 4.994 30 10 IJEE O=C(COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1)NCc1ccco1 1874593300 CNTMDLDKLWOMSL-IZZDOVSWSA-N 440.293 4.633 30 10 IJEE COc1cc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)c(OC)cc1Cl 1874719403 HARWNBSFOQTKPM-SNAWJCMRSA-N 427.678 4.730 30 10 IJEE C[C@@H]1SC(=NCc2scc(Br)c2Br)N[C@@H]1C(F)(F)F 1882706977 XYWYQMCXNCNYBN-NVNXEXLPSA-N 438.132 4.785 30 10 IJEE O=S(=O)(NC1(c2cccc(F)n2)CCC1)c1cc(C(F)(F)F)ccc1C(F)(F)F 1891820423 AAMPYYDDRXWCCU-UHFFFAOYSA-N 442.356 4.616 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 1950072945 OAXYQWZCJBXMCI-HOSQHVHZSA-N 431.508 4.859 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 1962794436 VZMXMBQWYOMBJN-QGZVFWFLSA-N 429.399 4.773 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NCCCB2OC(C)(C)C(C)(C)O2)c1 1999367096 XMVYMPITTSCMGK-SSEXGKCCSA-N 438.399 4.973 30 10 IJEE Brc1cc(N=C2N[C@@H](C3CC3)CCS2)ccc1I 2029985716 TWDIQJYXCHNTOR-GFCCVEGCSA-N 437.144 4.546 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)s2)cc1 2033813063 FVCSTMPLXUSLPF-IBGZPJMESA-N 425.531 4.905 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(-c2ccc(F)cc2C(F)(F)F)c1Br 2080184877 ASKYGVLXOUKBQI-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE Nc1c2c(nc3c(-c4cc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCSC2 2081396682 STZPLFFMOJGIII-UHFFFAOYSA-N 436.356 4.945 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(C#N)c(Br)c1F 2106010841 QCBZNYCOWGXMSC-OCCSQVGLSA-N 426.330 4.907 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1ccc(C#N)c(Br)c1F 2174771308 KDNNZSNQTFRJPS-XJKSGUPXSA-N 440.357 4.932 30 10 IJEE CC[C@H]1CCN(c2ccc(C#N)c(Br)c2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2174813818 AOXLMSJROCFQDE-DZGCQCFKSA-N 440.357 4.980 30 10 IJEE Brc1cccc(Br)c1CN=C1N[C@@H](c2cscn2)CS1 2175643626 NVCXQQKFXFGJAA-GFCCVEGCSA-N 433.194 4.602 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180863776 FHNGZLOQFOAVEM-IOASZLSFSA-N 436.350 4.541 30 10 IJEE C[C@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(Br)cc2C#N)CN1C(=O)OC(C)(C)C 2181114478 LEGWBBGCPMZFRJ-DVOMOZLQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181141150 IQNCPIGOOZLSIX-CVEARBPZSA-N 436.350 4.733 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 2235729183 MQKMJRRNCDLGMR-YVWKXTFCSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)C#Cc3ccccc3Br)CCCC[C@@H]12 2235733372 UHTDMRRDVPJOMY-GCJKJVERSA-N 432.358 4.940 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F 2238185813 UGFDUHIDKKPLGE-FOIQADDNSA-N 445.348 4.575 30 10 IJEE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247838050 BVGAHZUMUIQUSM-UHFFFAOYSA-N 427.781 4.998 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2249358268 VVJQWHSRJKNDRQ-FGYAAKKASA-N 437.625 4.519 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2258344352 GKSKFOXOSDRSFV-CZKAHXPPSA-N 443.544 4.586 30 10 IJEE CCN(Cc1cccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267095266 DDRBNKGTECTMJY-OALUTQOASA-N 444.381 4.864 30 10 IJEE C[C@H]1[C@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267115883 POXIYZPBIYEBDE-VXSCBNMQSA-N 440.437 4.664 30 10 IJEE CN[C@H](C#CC1CCCCC1)c1cc(Br)ccc1I 2273977503 PMPHSEGBZFPBKF-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2296217121 QTJCHBMDNBOTQB-LEAZDLGRSA-N 434.374 4.730 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296222005 OGVVSPLUSSOSBR-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2296222147 PFQFWLHNWYIVKV-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C1CC(N(C)C(=O)OC(C)(C)C)C1 2296267432 SVJXGSUBJKPLMQ-LYBXBRPPSA-N 435.406 4.814 30 10 IJEE COc1ccc2ccccc2c1C=Nn1cnnc1SCC(=O)Nc1ccc(C)cc1C 2321346690 AZBWWWVQRTWKEO-UHFFFAOYSA-N 445.548 4.670 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c(OC)c1 2321965267 YLRPTNFLGIDGGT-UHFFFAOYSA-N 435.501 4.734 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OC[C@@H]3CCCO3)cc(C)c2C1=O 2325690417 CIKXBBWSGSXPLX-INIZCTEOSA-N 445.309 4.940 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(F)c2)cc1 2331046361 JJYNMSZITGVQFX-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1 2331112501 IMZZHABBGXHGNR-UHFFFAOYSA-N 434.443 4.566 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C(F)(F)F)cc1 2331123470 BKYYGINCELDVHJ-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c(C)c1 2331432571 JVIGQNZTZSOFMG-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE C=C1CC(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)(NC(=O)OC(C)(C)C)C1 2339591745 GHTXAJJJDIPTHX-UHFFFAOYSA-N 442.365 4.719 30 10 IJEE COc1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1F 2377290080 HIUHZOFLKRCYMP-MRXNPFEDSA-N 436.281 4.998 30 10 IJEE C=CC1(Oc2nc3ccccc3nc2Br)CCN(C(=O)OC(C)(C)C)CC1 2381307774 AOJUCRNBBHJUBR-UHFFFAOYSA-N 434.334 4.727 30 10 IJEE COc1cc(OC)c([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3onc(C)c32)cc1OC 21660397 SVGYHWGMEHXASE-GYCJOSAFSA-N 446.503 4.967 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(OC)cc2)cc1 23437625 XXIUGSYDTSIVLH-UHFFFAOYSA-N 445.519 4.539 30 10 IJEE COc1cccc(N/C(=N\C(=O)c2ccc(C)cc2)NCCc2c[nH]c3ccccc23)c1 32943278 LWCQBLTZOFOEFO-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(OCC)c(OC)c1 39913389 OGMZGLOUWOHLLJ-NRFANRHFSA-N 439.895 4.893 30 10 IJEE N#Cc1c(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)sc2c1CCCC2 40321736 KYXHWJQYHNWZSN-UHFFFAOYSA-N 446.937 4.830 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1 59015338 ZBFWFQUMEQEBEA-SRZZPIQSSA-N 446.989 4.747 30 10 IJEE CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C/c2ccc(Cl)cc2)C1=O 100209179 QHRWKKWMZVPWQO-LFIBNONCSA-N 430.869 4.792 30 10 IJEE COc1ccc(C)cc1N/C=C1/C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O 104402207 IUJOPPRPLXZFSH-IWIPYMOSSA-N 448.544 4.798 30 10 IJEE CCCCCCCCc1nnc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)s1 104986788 MSEDQEJUSIDHHE-UHFFFAOYSA-N 439.541 4.536 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1cccc(F)c1 169940325 OLZOCISGIMVWRN-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170055213 NBFPGFUDCPVTCY-QFIPXVFZSA-N 446.434 4.555 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 170060353 XXQKZSSVRZRWFC-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 170081879 GXDVICJAUKFLQH-OAQYLSRUSA-N 430.847 4.700 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(OC)cc2)c1 170113418 WMPNPEKXMYWVAK-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1cccc(C)c1 170145701 UCBGLTQRYYXTKJ-HSZRJFAPSA-N 437.536 4.742 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccccc1OC(C)C 170151391 ACXPLOBBQNQEQG-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccs2)cc1 170157800 HLCHLIPXWJQTNE-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2cccs2)cc1 170157875 LWAUELOIKNWJAI-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3ccncc3)ccc2O1 170204231 NDFTUCQBHLWURK-PEBXRYMYSA-N 446.890 4.841 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccco2)c1 170297197 PAXREWUDZAHTFD-QHCPKHFHSA-N 429.472 4.610 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(C)o2)c(C)c1 170304034 MTTGTJOIUWUARJ-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2F)cc1Cl 170381262 XLLIMQONBFCVPT-IBGZPJMESA-N 427.815 4.864 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC)cc2)cc1 170426548 PYNMCMGXMWIFQG-QHCPKHFHSA-N 446.503 4.917 30 10 IJEE Cc1c(C#N)c(NC(=O)CSc2ccc(Cl)cn2)n(Cc2ccc(F)cc2)c1C 219826108 FSOVBCJHLILHRA-UHFFFAOYSA-N 428.920 4.943 30 10 IJEE Cc1ccc(NC(=S)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1C 254612480 JBOMJZODCBNALW-UHFFFAOYSA-N 432.524 4.680 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 379652872 YCIBTFCQCLTIDW-GCJKJVERSA-N 427.386 4.604 30 10 IJEE COc1cc(C)cc(NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C 427883167 DIBAXRGPLMFUEM-UHFFFAOYSA-N 443.503 4.534 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCCN(c2ccccc2C#N)CC1 460784050 QWKHMPSBVASLSY-UHFFFAOYSA-N 449.562 4.658 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 476124885 YXZKSXDGVGNXJR-QFIPXVFZSA-N 440.609 4.719 30 10 IJEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 509010689 HUWFYSVDHSNMCK-HXUWFJFHSA-N 439.441 4.599 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 523488881 FEHBWPKSXVZIDK-UHFFFAOYSA-N 446.469 4.552 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c(Cl)c1)c1ccccc1 526772827 LUCIDYONFZOBNS-OAQYLSRUSA-N 449.846 4.557 30 10 IJEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 549668454 WHYQUAUGKDOMDA-ZWKOTPCHSA-N 433.622 4.542 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)no1 554629961 GWWZVHTUJZYUAD-UHFFFAOYSA-N 442.523 4.742 30 10 IJEE CCc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(OC)cc2OC)cc1 586241763 PJGFOLKEOYIIAQ-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C=CCCN(c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251369 LXOCYUUMNGPGBC-UHFFFAOYSA-N 428.598 4.592 30 10 IJEE Cc1cccc(C(=O)OCc2cc(Cl)ccc2OCC#N)c1I 735344316 NFWCLIOWRHFFLF-UHFFFAOYSA-N 441.652 4.512 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@@H]1CCOc2ccc(Br)cc21 741565301 YJAMYFVEMPXGMK-XAUMDUMWSA-N 446.291 4.816 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)ccc1Cl 745229847 JUFFBMCCCYFPTL-WMZOPIPTSA-N 432.854 4.520 30 10 IJEE COc1ccc2c(c1)CN(C(=O)NCc1ccc(OC)c(C#N)c1)[C@H](c1ccccc1)C2 747431591 RUVQLVAOZXNOPI-DEOSSOPVSA-N 427.504 4.585 30 10 IJEE CC(C)(C)c1cc[n+](/C(C(=S)NC[C@H]2CCCCO2)=C(/O)c2ccc(C#N)cc2)cc1 762438501 HKSFNFZUKJEYHC-OAQYLSRUSA-O 436.601 4.513 30 10 IJEE C[C@H](OC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 766999606 CRTXPPKDGCQLAL-NEPJUHHUSA-N 447.354 4.545 30 10 IJEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 792750128 JTAXNAIYYDKXCF-OXJNMPFZSA-N 441.503 4.645 30 10 IJEE C#Cc1cccc(NC(=S)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)c1 811709423 ZVZMKKCABPDDDP-YLJYHZDGSA-N 429.383 4.573 30 10 IJEE Cc1nc(-c2ccccc2F)sc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1127329374 DBHDLGAWUMWZBB-UHFFFAOYSA-N 436.512 4.644 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccc(Cl)cc1F 1129616345 PRWWANYIFGCWSJ-GOSISDBHSA-N 432.680 4.532 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 1135862434 OAAHFXJQVLRYDK-UYAOXDASSA-N 436.980 4.959 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C)c1ccccc1 1158670659 WLOMTKYNJDVPQI-JCOAXYOVSA-N 440.565 4.901 30 10 IJEE C=CCn1c(SCC(=O)NCCO[C@H]2CCCC[C@@H]2C)nnc1-c1cccc(Cl)c1 1165888963 JABZYUADVVIITO-LPHOPBHVSA-N 449.020 4.588 30 10 IJEE CCC(CC)(C(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(Cl)c(Cl)c1 1177113984 GWMDHQPGIOINDA-UHFFFAOYSA-N 431.367 4.667 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CCC)CC[C@@H](C(C)(C)C)C3 1188037589 DEVQXZOVARTRPJ-HUUCEWRRSA-N 447.670 4.802 30 10 IJEE CC1CCN(C[C@@H]2CCCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)CC1 1190650316 AZWDOUWBIMYWFI-UXHICEINSA-N 442.673 4.660 30 10 IJEE C=CCCCCCN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1198299799 HNQDPZBXABTNMR-UHFFFAOYSA-N 425.614 4.523 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(Oc3ccccc3)cn2)ccc1OC 1216619472 HTDLIAKWKPAVQA-SFHVURJKSA-N 432.480 4.885 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1 1219417177 YZHWEVRLJYVFNV-UHFFFAOYSA-N 432.427 4.558 30 10 IJEE Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 1221718940 FEHXLQFTDBETFO-PTUXOGIPSA-N 436.987 4.956 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)NCC3(c4ccc(F)cc4F)CCCC3)CC2)c1 1226713434 FJNDJRSUJDDYAF-UHFFFAOYSA-N 439.506 4.901 30 10 IJEE C#CCN(C(=O)N[C@H](c1cccc(C)c1)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1254041884 RAKFOOPACQZHNR-QFIPXVFZSA-N 427.589 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCN1CCCC 1286304903 JNRJUNKUAVUEAC-VXKWHMMOSA-N 439.673 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(CC)CCOCC1 1286307041 ZCMUWBWJGJLPFR-QGZVFWFLSA-N 433.021 4.889 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCCCCC1 1286553808 RIBTVGDRVVHNJZ-TZIWHRDSSA-N 425.533 4.605 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1286563558 VMTSQEFAWWBNBL-AUUYWEPGSA-N 437.346 4.965 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCC)C1 1286603304 AJCXDXKXYLXYJO-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCCC[C@H]2C)CC1 1286638327 YTDBYWIQRBLQOA-RTWAWAEBSA-N 441.595 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286669204 XXVYPYCJBWDZEY-GOSISDBHSA-N 442.007 4.696 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCc1csc(C)n1 1286741981 MCEZSIBQBAMCGJ-UHFFFAOYSA-N 434.613 4.939 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1N(C)CCCC1(C)C 1286743728 PWPZCPWLHLMGJS-XMMPIXPASA-N 444.627 4.962 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)SC 1286750319 XMXUOMMRCRCVLV-UHFFFAOYSA-N 430.647 4.535 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](OC)C(C)(C)C 1286765085 ADTMIFVSBFFGLZ-NRFANRHFSA-N 446.661 4.975 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1286821970 AXCQMLTXZJAPOJ-IEBWSBKVSA-N 427.618 4.549 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1287358433 CMNIXWKOPJEAPM-OYRHEFFESA-N 436.648 4.741 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCSC1 1287597143 FDIPXSVNPKLKKS-LJQANCHMSA-N 449.628 4.854 30 10 IJEE C#C[C@H](NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C 1297150402 MJAYEYAKGMBWRS-IBVKSMDESA-N 444.575 4.812 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)[C@@H](C)CC 1300281726 LHAAESQDRNQYPE-URLQWDBASA-N 433.394 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc(C(F)(F)F)cs1 1300286936 QHMNJKUBRPJICC-LLVKDONJSA-N 425.867 4.580 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)C1CCCCC1 1300438612 OUNNBSTVCJTLAM-UHFFFAOYSA-N 444.627 4.687 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OC(C)C)nc1 1300556202 FDZYZQURRKLQHM-DEOSSOPVSA-N 441.579 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1OCCC1(C)C 1300789076 XACXGBQFOFFAAR-PGRDOPGGSA-N 443.389 4.515 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1300946297 XPBMSJFCGYQBCP-MOPGFXCFSA-N 434.588 4.656 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1300988276 ALHGCRKZCWPPFQ-LJQANCHMSA-N 438.494 4.768 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301148031 KHWDUUSFTMCHRF-LJQANCHMSA-N 447.624 4.616 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1301246822 XTDVBABTKFWRTM-IFMALSPDSA-N 441.620 4.530 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccccc1)C1CC1 1301271219 PLFJHRBBCATDGA-LJQANCHMSA-N 440.389 4.862 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)CN1CCCCC1 1301278221 HXJBPBIQYICOAU-RBUKOAKNSA-N 427.662 4.876 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[C@H](O)C1 1301358032 VKCDBFVOZRNSKN-ICSRJNTNSA-N 438.597 4.759 30 10 IJEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CC(C)(C)C1 1304097049 BSFJKEGMEGIYLS-UHFFFAOYSA-N 436.585 4.566 30 10 IJEE Cc1cc(NC[C@H](CO)Cc2ccccc2Br)n2c(nc3ccccc32)c1C#N 1307095035 CXKGDKKDZDXJHM-MRXNPFEDSA-N 449.352 4.693 30 10 IJEE Cc1c(Cl)ccc2c1N(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CCC2 1307543469 CDVFFMJXLMQXOJ-UHFFFAOYSA-N 436.943 4.971 30 10 IJEE C=CCC[C@H](NCc1cn(-c2ccc(Br)cc2)nc1C(C)C)C(=O)OCC 1308769059 CKQUNFDHURRWPH-IBGZPJMESA-N 434.378 4.746 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 1309216225 GCHDMYXOWYIVCB-RPBOFIJWSA-N 432.545 4.726 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1Br 1309583610 GKFRNQRLQUCOOH-CJNGLKHVSA-N 439.762 4.589 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(Br)cc1F)c1ccc(Cl)cc1F 1311928287 FZIQQGZTJCOYPE-QGZVFWFLSA-N 427.676 4.597 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OC 1354563105 ICSKOJPLPRZIJM-UCMWELRRSA-N 440.515 4.665 30 10 IJEE Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3csc(C#N)c3)cc2Cl)n1 1357733998 HIUWXUQZTOOSRD-CYBMUJFWSA-N 427.917 4.539 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1oc(CCC)nc1C 1358877657 INCCEUDBZVHPGV-LBPRGKRZSA-N 448.390 4.524 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCCC[C@H](SCC)C1 1358917681 YEJBFICQIMWQEY-IBGZPJMESA-N 430.593 4.912 30 10 IJEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(Cc1ccco1)C(C)C 1359059993 GMXWTIMPAAYHNW-UHFFFAOYSA-N 433.581 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCc1csc(C(C)C)n1 1359066382 YXDOQLGUQZTQPY-XMMPIXPASA-N 435.597 4.768 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359076608 GZPBLNWBMAAFRB-KXBFYZLASA-N 449.393 4.504 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1359088852 VYUJAPKORFDBFU-ABAIWWIYSA-N 445.789 4.927 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C1CCCC1 1359093299 LZUUZDHKCLXNCY-BEFAXECRSA-N 448.409 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1cc(C)ccc1OC(F)F 1359115249 QDCIZGYHYVNBIV-UHFFFAOYSA-N 447.555 4.994 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN(CC)C(C)C)CC1 1359160597 YEJXJIGSZJEEFZ-QFIPXVFZSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@H](F)C1 1359261220 AIWJUIHULARNKV-PZJWPPBQSA-N 440.542 4.610 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C)C1)C(C)C 1359264631 KIFKIHWOJOODGT-UNMCSNQZSA-N 449.599 4.615 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(C)C)C2)cc1 1359308403 NECAEBBIFAPDSQ-QHCPKHFHSA-N 431.584 4.749 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2C#N)CC[C@H]1C 1436545905 GSCPNGAKVTZKJG-IJEWVQPXSA-N 441.984 4.946 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C#N)cn1CC 1436858478 DGNLYFVKLJMAHR-UHFFFAOYSA-N 428.448 4.617 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1437072381 SLHCINMVESTBPI-RBDMOPTHSA-N 426.919 4.658 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](c3cccc(Br)c3)N3CCCC3)cc21 1439758112 VJFOTZQOXRGLLF-OAQYLSRUSA-N 439.357 4.760 30 10 IJEE C=CCc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC 1441447321 PCYJTWDEISHSML-PMACEKPBSA-N 436.596 4.840 30 10 IJEE CCOC(=O)c1c(NC(=O)COc2ccc(C#N)c(F)c2)sc(C)c1C[C@H](C)CC 1458946497 DESQXMIRHRXUGY-CYBMUJFWSA-N 432.517 4.850 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(CCc2ccccc2)Cc2cccnc2)cc1C 1460056661 FIUQDFWIFVYTES-UHFFFAOYSA-N 426.564 4.690 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cc(Cl)ccc1Br 1463863760 DGLUQKMSLOATNI-KRWDZBQOSA-N 428.779 4.709 30 10 IJEE C#CC[C@]1(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1464476840 NAUWAMOFLMLHNX-RBJSKKJNSA-N 444.575 4.954 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2ccc(Br)cc2Oc2ccc(C)cc2)CC1 1467070334 PUFUSTZCHGPBBT-UHFFFAOYSA-N 429.314 4.542 30 10 IJEE C#CCN(C(=O)NCc1ccnc(OCc2ccccc2)c1)[C@H]1CCCc2ccccc21 1467895050 FFWCBFGWOYNASR-VWLOTQADSA-N 425.532 4.883 30 10 IJEE CC1CCC2(CC1)OC[C@@H](CNC(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)O2 1476213428 BVWOUGWEBVKALD-HTQWRTEZSA-N 439.487 4.933 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@H]1C 1493840186 AKYMJNMWSDCUDH-LJQANCHMSA-N 434.613 4.778 30 10 IJEE CN(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)c1cccc(F)c1 1503379964 FKYOHIXQCUZNQA-WIOPSUGQSA-N 438.595 4.583 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCSC1 1503413352 AROVBXSQYJJZKE-PKOBYXMFSA-N 431.556 4.974 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507555064 FEVLACBIBUAQKC-HDICACEKSA-N 438.526 4.866 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1507596011 YPJMHRWDNMHNRL-XZOQPEGZSA-N 436.600 4.753 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCN1CCCC[C@@H]1C 1507606689 UOIFJCWERLRNQU-FQEVSTJZSA-N 439.673 5.000 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCC1 1507812479 MKQWXVHSXWUIIK-IBGZPJMESA-N 432.012 4.960 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1507894489 DLIHXTSXOHTQFA-IAGOWNOFSA-N 448.493 4.621 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOc2ncccc2F)CC1 1507897158 MMXLLZQZTHWFAK-UHFFFAOYSA-N 445.901 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCOC2(CCOCC2)C1 1507913244 WCUZPAZJWFEGIR-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507927566 YNMIQZFJYRPCGA-DENIHFKCSA-N 444.023 4.502 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1507966973 DZNABICYUOXMKJ-OAQYLSRUSA-N 430.980 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(OCC)CCCC1 1507975358 QBWZVFVNFDXQFN-UHFFFAOYSA-N 425.396 4.741 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)N(C)C 1508009498 QGDYIRSBZFEENT-HXUWFJFHSA-N 435.641 4.952 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCCC(F)(F)F 1508023610 DRLUUENSUXVUQJ-UHFFFAOYSA-N 429.446 4.987 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1508166482 AAZSLWPRYOYTQI-YYWHXJBOSA-N 430.593 4.930 30 10 IJEE Cc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N(C)[C@@H](C)CC#N)N2CCCC2)cc1 1510720262 FMUDMWOTQJYELG-URXFXBBRSA-N 434.632 4.895 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3c(Cl)ccc(C)c3n2)CCCN1C(=O)OC(C)(C)C 1520529878 GWZOBBXVWKSKLV-HSZRJFAPSA-N 427.932 4.928 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1=O 1520763155 CXFXMKNFUSTPGI-SFHVURJKSA-N 446.389 4.542 30 10 IJEE COc1cc(C#N)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1521682961 HYMQVRQRNINYJM-GOSISDBHSA-N 449.429 4.790 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)OCc2cc(Br)cc(C#N)c2)cc1OC 1524919099 QRKRGOGYVIDKGV-FNORWQNLSA-N 428.282 4.651 30 10 IJEE C#CC[C@]1(C(=O)NCc2cccc(OCc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1525521352 BOOVVNQHTPSONP-HHHXNRCGSA-N 448.563 4.675 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2cc(Cl)cs2)c(C(=O)OCC)c1C 1525887745 RNIBJIBPGYUWSG-UHFFFAOYSA-N 441.958 4.862 30 10 IJEE C[C@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-n2cccn2)c(F)c1 1526694288 GFXGFODPMFXTCT-KRWDZBQOSA-N 429.455 4.707 30 10 IJEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1)c1ccccc1 1529728530 NDBAOHFXAGLZNV-VWLOTQADSA-N 446.572 4.786 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c(OC)c1 1533587875 YRBMIPPIUVQESJ-UHFFFAOYSA-N 426.513 4.936 30 10 IJEE C=CCOc1ccc(COC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)cc1 1536714878 PLWVHUIQSKZGBH-UHFFFAOYSA-N 437.536 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1OCCC1(C)C 1538976740 PLIBTCWXTZAIDF-FDDCHVKYSA-N 431.584 4.626 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1539002352 CGFPJKVVEXTYKV-FJIJXJHWSA-N 429.568 4.583 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1ncc(C)s1 1539347030 NTMWAXQVTYXDFO-MRXNPFEDSA-N 430.581 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1539616481 RCMNCOITSCUQKJ-WFXMLNOXSA-N 430.980 4.694 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=CCC1 1539643211 LMPMICKLFSYEFN-RDPSFJRHSA-N 436.600 4.902 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cc(C)nn2C)CC1 1539897927 MOKRMKSOFQPGAR-UHFFFAOYSA-N 448.615 4.782 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H](C)C1CCC1)c1ccccc1 1539932199 YBEJTYSPBHEUMR-NZQKXSOJSA-N 435.616 4.889 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 1539948108 OGKCICKDHQTMQB-GGAORHGYSA-N 437.632 4.530 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC1(OC)CCCCC1 1540119391 JAUXEYRHCKFTMI-UHFFFAOYSA-N 435.572 4.824 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)C(C)C 1540134438 RZIJOVWUNWREGC-QHCPKHFHSA-N 443.954 4.732 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(Br)ccc21 1558142629 RLYLXBHGDODTMU-HZPDHXFCSA-N 443.769 4.589 30 10 IJEE C#CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@@H]1CCCc2ccccc21 1560171727 CYLRNXUABXPJKG-HSZRJFAPSA-N 443.572 4.952 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 1562929538 YIBKJKGGWXEMCO-YOEHRIQHSA-N 436.350 4.858 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 1567216074 IBXZFUWXXCXWHE-SFTDATJTSA-N 427.520 4.676 30 10 IJEE C#C[C@@H](NC(=O)C1(c2cc(Br)ccc2OC)CC1)c1ccc(Cl)cc1F 1583585624 YLPNDTROEYPWOC-QGZVFWFLSA-N 436.708 4.773 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1OC 1587153331 YGIQVKNPJFDLKL-CWSBKQHBSA-N 446.591 4.692 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc1OC 1587264909 FNGZGYAIUKBNCM-QBFSEMIESA-N 438.524 4.937 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(CC1CC1)C1CCCCC1 1589089417 RWBKYWILQYVWHB-UHFFFAOYSA-N 429.659 4.549 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC1CCOCC1 1589506313 UVVMODHBROVKBH-IFMALSPDSA-N 445.007 4.833 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1593859007 OLXFXQBMHHMVJQ-MRXNPFEDSA-N 429.977 4.855 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1)c1ccccc1 1594544145 HETPKEGXUHYQNB-VXKWHMMOSA-N 439.604 4.551 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCc2cccc(Br)c2C1 1594600326 RGIKSQHFBUMUMM-UHFFFAOYSA-N 440.389 4.965 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](COC)C1 1594687429 RABNJSCSZNVLJD-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)NCCCC)CC1 1594692627 AYKDBIWRXCAOCM-UHFFFAOYSA-N 435.572 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1595149648 RFBXVGJAWAEIIJ-GHTZIAJQSA-N 425.602 4.599 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CC=CCC1 1595658936 NSZYKROFFHWOAS-QFIPXVFZSA-N 429.568 4.670 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1595851243 ZHJKJBYQDQSNEF-FFZOFVMBSA-N 427.574 4.787 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)N(C)C 1611291664 BTHUOUJDTUCVEV-KKSFZXQISA-N 447.002 4.986 30 10 IJEE N#Cc1ccc(C2=CCN(C[C@H](O)COc3ccc(Cl)cc3Br)CC2)cc1 1616898554 CUAVSULOSBHTPE-IBGZPJMESA-N 447.760 4.503 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)sc2ccc(C#N)cc12 1621982445 IELRTTWHYLXIPD-NRFANRHFSA-N 437.521 4.683 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1623891178 LCCOQCBFANKIIY-PMACEKPBSA-N 444.576 4.796 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(SC(F)(F)F)c3)cc2C1=O 1626201647 FFSFZOSYSXQHSL-LBPRGKRZSA-N 434.439 4.572 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2csc(I)c2Br)C1 1628819829 BMNNKJILQGYNCL-SECBINFHSA-N 440.144 4.544 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccccc2n1Cc1ccccc1C 1633014100 DVDUSIAZAJRHFM-NRFANRHFSA-N 446.551 4.638 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1 1635621868 FBWCRMSXSLHEHG-HXUWFJFHSA-N 431.577 4.601 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c(OC)c1 1636418342 XPEVYZZQPDHPEN-UHFFFAOYSA-N 443.503 4.993 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1636631492 MYLRCQNOZHIIIG-VQTJNVASSA-N 443.588 4.627 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@@H]2CC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640556465 WOFLUZSMDZVAFY-HOTGVXAUSA-N 445.654 4.652 30 10 IJEE C=CCn1c(S[C@@H]2CCN(C)C2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1640602572 KLAOINCBCRZEBY-NVXWUHKLSA-N 430.643 4.666 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nnc(C(F)(F)F)s1 1643806454 UXDNWYNHMUJPRP-UHFFFAOYSA-N 427.477 4.514 30 10 IJEE C=CCc1cc(CNc2ncnc(C(F)(F)F)c2Br)cc(OC)c1OC 1650695870 HJBYDALWXGTNMP-UHFFFAOYSA-N 432.240 4.616 30 10 IJEE C=CC1(CC(=O)N2CC[C@H](c3ccc(F)c(F)c3)C2(C)C)CN(C(=O)OC(C)(C)C)C1 1651132946 NMOSFPZWTLJHMO-QGZVFWFLSA-N 434.527 4.873 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1653388747 NSELLDCDFPTMKU-SFHVURJKSA-N 433.733 4.500 30 10 IJEE C=CCN(Cc1cc(Br)cnc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1657776955 GDMOTKPBIVURAV-GOSISDBHSA-N 437.765 4.660 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(CN(C[C@H]3CCCCO3)C(C)C)cc2)CCOCC1 1660296575 NYMNNEDNZDEZQG-HSZRJFAPSA-N 429.605 4.713 30 10 IJEE CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1661015700 DTJPRKYPEDOBLM-UHFFFAOYSA-N 439.350 4.578 30 10 IJEE N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1 1666227188 GAPRADGMMHSFSG-UHFFFAOYSA-N 437.609 4.503 30 10 IJEE C#C[C@H](NC(=O)NCCCOc1ccc(Cl)cc1C)c1ccc(Br)cc1 1667436028 ZWUSRIOUEITTFD-SFHVURJKSA-N 435.749 4.854 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C)CN1Cc1ccccc1 1669625713 AEPAFUWLGSMXNW-ROUUACIJSA-N 448.958 4.524 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 1670844693 ALUPFVPWVSXZAT-AWEZNQCLSA-N 437.256 4.588 30 10 IJEE C#CC[C@H]1CCN(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 1671328651 FAPOJWGYJPDXDI-AWEZNQCLSA-N 425.451 4.607 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(Br)c(Br)c2)cc1F 1672554556 HQBDVEWLHYIAQA-UHFFFAOYSA-N 427.071 4.544 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)c1cccc(NC(C)=O)c1 1672708953 XRCSCHYZNFEEBB-CYBMUJFWSA-N 432.318 4.855 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(I)cc1F 1673410751 MPRPULFVLVSPQG-UHFFFAOYSA-N 428.220 4.790 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1674604745 RPFGNAQUUOEHQE-UHFFFAOYSA-N 437.540 4.866 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 1675444952 FTNCZBSXWHHFHG-WXFUMESZSA-N 436.987 4.958 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(F)c(F)c1 1681778701 DMSOJPQNWLJJIZ-OAQYLSRUSA-N 437.893 4.902 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1)c1ccc(F)cc1 1682345541 WVIRDNFRZKVVHG-DNQXCXABSA-N 436.527 4.659 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCc1cnc(SC2CCCC2)nc1 1682916033 HSZAURLDZIJVAL-UHFFFAOYSA-N 437.613 4.793 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(Br)c(F)c1F 1684372638 YTKZYKGIUURVLT-UHFFFAOYSA-N 425.273 4.634 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br 1684426273 VZCKKAYNCNGISN-KRWDZBQOSA-N 435.387 4.569 30 10 IJEE C#CCCCCn1c(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)nnc1C(C)(C)C 1689906563 NZASHFAREVEHNN-GOSISDBHSA-N 429.559 4.541 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1689920641 FSGZHYLYOVAEAN-DHIUTWEWSA-N 436.600 4.646 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@](C)(CC)O1 1689954061 JYSXCSQKIVSRFZ-NLFFAJNJSA-N 434.540 4.534 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1CCCCO1 1690065431 XCKUJSALJZWIKN-IBGZPJMESA-N 445.405 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nnc(C)s1 1690257929 YSNDAPDPRFXZAK-UHFFFAOYSA-N 447.612 4.963 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1690328067 DTDSMDZVICDTTP-ZVDOUQERSA-N 430.980 4.935 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1690394489 BHFHPPDLGJYDCT-SJLPKXTDSA-N 441.542 4.893 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 1690442562 WAJIHQFAKUJOGC-KSEOMHKRSA-N 444.645 4.555 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690457610 ZXORPAZTRIEGPS-UHFFFAOYSA-N 429.572 4.595 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1690595499 YCYDTYQCMZIOKM-LEWJYISDSA-N 429.996 4.654 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)O 1690605615 QWKMJSUQUFESKH-KRWDZBQOSA-N 440.613 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)c1nc(C)cs1 1705712526 XEVGADDCCXOXBO-MRXNPFEDSA-N 441.601 4.933 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1705733480 OSFSNWYTHVGZNF-SFHVURJKSA-N 448.970 4.583 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(OCC)cc2C1 1705761830 BWWYOFIRWJWHAP-NHCUHLMSSA-N 445.007 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@H](C)c2cccc(O)c2)nnc1[C@@]1(OC(C)C)CCOC1 1705802608 PRTIWVCNOPSJHJ-KBMIEXCESA-N 442.604 4.824 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1705887021 ZCXUDLBWXPKXGP-UHFFFAOYSA-N 434.288 4.669 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCN1C1CCCCC1 1706126423 AATODUKIRRLSBA-QFIPXVFZSA-N 426.653 4.794 30 10 IJEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(C)C)CC2)cs1 1708986878 CNQDZOPOPXKSMY-UHFFFAOYSA-N 434.613 4.951 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722308350 LHKTZGRJUKUJNP-YTFSRNRJSA-N 436.600 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCO[C@H]1CCOC1 1722502273 NCVMEEQRCZQKSC-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722617509 NCCZIHCBJCYGGF-UHFFFAOYSA-N 433.400 4.551 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1722648100 IZGGZTQSPGCAFO-UHFFFAOYSA-N 428.540 4.592 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCN1CCC 1722659676 ZGSDPMFREVZOJD-BJKOFHAPSA-N 437.632 4.629 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CC)C1 1740574040 COJCNDDPYHURKY-NHCUHLMSSA-N 443.636 4.823 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1740580531 ARXTYPPFPYQTSG-ICSRJNTNSA-N 445.007 4.963 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(c2ccsc2)CC1 1740586730 LOTKJWZSWIMOFY-UHFFFAOYSA-N 436.581 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCC(F)(F)CC1 1740776191 RGZTYWJPZUAJPO-UHFFFAOYSA-N 428.531 4.745 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740797689 SSBHZTDCBVIBCK-QKNQBKEWSA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1740849548 MYTQQQOKOBBHNH-WIYYLYMNSA-N 437.613 4.894 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(OC)ccc1Br 1740875536 FGUAGKYYSDWAMB-INIZCTEOSA-N 449.393 4.546 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CCN(CC)C(=O)OC(C)(C)C)C1CC1 1740906731 KYNFLDLJJQWETP-UHFFFAOYSA-N 439.604 4.919 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCC(F)(F)C1 1748915080 PBOAPGIQRNBBQA-AWEZNQCLSA-N 440.336 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1OC(F)F 1748939266 WNESIKIKOYQIKW-UYAOXDASSA-N 446.542 4.500 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCSC1 1749059710 CPOLZLZIGJLITN-OPAMFIHVSA-N 431.005 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1749120040 ZPQOCLBGMOWXLV-VXNXHJTFSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749400460 BSZUSHFSUUOLHK-HXUWFJFHSA-N 441.576 4.707 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1CCSC1(C)C 1749531237 IGTXQDMHNXMFHW-OAQYLSRUSA-N 444.608 4.936 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCOC[C@H]1C 1749537769 ALPOSQVETMONBX-WIYYLYMNSA-N 437.975 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@@H](C)C1 1749552911 KNOQQNQTFVMYGH-PZJWPPBQSA-N 437.613 4.723 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1CCC(C)(C)O 1749553232 GTHIBEKGFQWBLZ-UHFFFAOYSA-N 431.005 4.937 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1Cc1nc(C(C)C)cs1 1749584833 RZVNDVJSJRQJAV-HXUWFJFHSA-N 437.613 4.645 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](OC)C(C)(C)C 1749587141 JNEJABFLDKUFJV-JOCHJYFZSA-N 433.556 4.706 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1749754025 DSXGNRIBMLKOEL-RTWAWAEBSA-N 428.602 4.789 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1760130816 MPIOZIKQRKAUMY-MSOLQXFVSA-N 429.634 4.927 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](c2ccco2)C1 1760148785 MCSSLFCARWKBGS-OAHLLOKOSA-N 443.320 4.847 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1760229544 VSICGJLWXUQGIX-UHFFFAOYSA-N 442.611 4.647 30 10 IJEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1760306442 HHUPRBMWWUPBGP-ZBFHGGJFSA-N 431.334 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cc(C)on1 1760331587 NEDJXEPKKLGAJT-UHFFFAOYSA-N 433.512 4.864 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(OC2CCCCC2)c1 1760337506 HVPIZXRHKZPLDT-OAQYLSRUSA-N 439.604 4.729 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(Br)cs2)CC1 1760384742 GGQRLMMVUCWJGG-UHFFFAOYSA-N 440.370 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCSC2)C1 1760415837 MEEKFUJQJXCHTC-QHCPKHFHSA-N 430.593 4.932 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1)c1ccccc1 1760418067 MFUYESQUDUWTIA-PKTZIBPZSA-N 435.616 4.791 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1Cc2cccc(Br)c2C1 1760429241 WICCKXZESDDHPM-UHFFFAOYSA-N 438.373 4.903 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1760447973 UULTZETXLKDWJC-ZJOUEHCJSA-N 444.645 4.958 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1Cc1cn2ccc(C)cc2n1 1760478169 YBIKZCYOBBTQNH-HXUWFJFHSA-N 444.583 4.997 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1CCn1cc(Br)cn1 1760482152 RGRKSXZLTSMZPC-KRWDZBQOSA-N 443.393 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1Cc1ccc(-c2ccsc2)nc1 1760496068 HBSXYUSCAKNKAI-UHFFFAOYSA-N 428.565 4.614 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1762712721 ADIHEJOYFGFYJM-NJDAHSKKSA-N 434.632 4.810 30 10 IJEE Cc1csc(N=C2S/C(=C3/C(=O)N(C)c4ccccc43)C(=O)N2c2ccccc2)n1 1772733714 AHZUSIRHPLBREU-BSYHHBANSA-N 432.530 4.607 30 10 IJEE CC(=O)[C@@]1(OC(=O)C(F)(F)F)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1848432733 XQBRDDULCCLGOH-LHZXLZLDSA-N 426.475 4.952 30 10 IJEE Cc1cc(-c2nn(-c3ccc(Oc4ccccc4)cc3)cc2/C=N\NC(N)=S)ccc1F 1857806841 MIQGVAZGKIMPCK-VYYCAZPPSA-N 445.523 4.946 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccn23)c1 1858242159 SCTKTOQWJUVORB-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4sc(C)c(C)c4C#N)cc3C2=O)c1C 1859477914 PCVGHEMAZJFHEG-UHFFFAOYSA-N 429.501 4.906 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCCCC)cc1 1862420798 APDUBWZDUBRDFH-OAQYLSRUSA-N 427.447 4.908 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(F)cccc1Cl 1862459803 DYPXDZKQYDOEBI-QGZVFWFLSA-N 427.781 4.883 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccccc2Cl)c1 1862491265 OTGYORBLWXFJHM-OAQYLSRUSA-N 427.928 4.698 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 1862505838 TVDAZVUOECFYKT-NRFANRHFSA-N 427.472 4.617 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OC)cc1 1862524819 ONFKFNHKYZUABK-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862641885 CWWFCECVTDRQLK-QKKBWIMNSA-N 427.472 4.610 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc(Br)c2)cc1F 1862646618 KEUVTKUHRVPXNU-GOSISDBHSA-N 448.288 4.584 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 1862688374 WTOSOFSASOBIGG-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 1862736510 ZCXKNRGFRJYKBE-JOCHJYFZSA-N 446.434 4.555 30 10 IJEE CSc1cccc(NC2=C(c3ccc(C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862896544 SRZUUNBPPWQYSL-UHFFFAOYSA-N 425.513 4.985 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccccc1F 1864068220 COYMWNVKQIJMEG-FQEVSTJZSA-N 442.579 4.683 30 10 IJEE COc1ccccc1N(C(=O)c1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 1865853826 IXMKLRZXNLJIMR-UHFFFAOYSA-N 425.532 4.878 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2CCC(Oc3ccc(OC)cc3)CC2)n1 1868286341 FWYOPODTBQVLAY-UHFFFAOYSA-N 429.524 4.711 30 10 IJEE Cc1nc(Nc2ccccc2C#N)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868490762 RXQYMPFHZOUSFV-UHFFFAOYSA-N 428.496 4.768 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)c1cc2ccccc2o1 1870155734 BYOXNTTYAYUOHY-UHFFFAOYSA-N 435.443 4.716 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1cccc(C)c1C 1871191353 UTNLAJGETKBNKP-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN(CCOC(C)C)CO2 1871345409 RPXYREPQZURQAH-JMIUGGIZSA-N 431.891 4.981 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871447992 FQGRCJMNBANFEC-PXNCGERRSA-N 433.485 4.973 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520351 MLNQCJFVNSZDCQ-UHFFFAOYSA-N 443.596 4.766 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871982483 DMAYTRCZZAVGCI-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cccs1 1872527321 SYSOUBSIDGFIDN-HXUWFJFHSA-N 434.627 4.985 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872560235 WQPKXTGWMYZGAU-QHCPKHFHSA-N 428.598 4.904 30 10 IJEE N#C[C@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773677 USNAWZWBXPMTLA-GFCCVEGCSA-N 427.825 4.590 30 10 IJEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(C[C@@H]2CCCO2)C1=O 1873044084 YOGJDUNKDPKMJV-QFIPXVFZSA-N 442.600 4.684 30 10 IJEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n(/N=C/c2cccc3[nH]ccc23)c1=O 1873495560 VIDYYQXAYIOGQF-VULFUBBASA-N 431.565 4.900 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2/N=C/c2ccc(OCC)cc2)CC1 1874285085 OKAMCUIQJIXBCK-MFKUBSTISA-N 443.617 4.600 30 10 IJEE Oc1ccccc1/C=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1 1874355474 LUJBIIKJHYWHBJ-YZSQISJMSA-N 444.560 4.918 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2)cc1C 1874458608 XCFHSKUTCRZPKS-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE Cc1ccccc1COc1ccc(/C=N/n2c(CC(C)C)nnc2SCCCO)cc1 1874491170 CORLPLLAYUIMBY-PCLIKHOPSA-N 438.597 4.721 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2)nnc1C1CC1 1874516236 MZXBSHVOSCVKGS-MFKUBSTISA-N 447.564 4.642 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874521659 FKIOLDPTPVBMGF-SSDVNMTOSA-N 434.352 4.760 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cc1OC 1874567726 NKCXHMMSKWYEPW-PCLIKHOPSA-N 432.549 4.795 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3cccc(OC)c3)c2)cc1 1874701253 ITFSDQBYGZPIKM-XNTDXEJSSA-N 432.472 4.974 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1891020448 NCQYKDHUVLNLSW-UHFFFAOYSA-N 440.387 4.516 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1(C)C 1981684291 DOZZOMQCHCRICO-DJJJIMSYSA-N 435.487 4.619 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048649947 OMPWEBQAUKZHSI-DLBZAZTESA-N 429.786 4.587 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2060625546 LKTNPWXGMDRZTE-SFHVURJKSA-N 438.418 4.546 30 10 IJEE CCOc1ccc([C@@H](CC)n2nc(C(F)F)c(C=NO)c2I)cc1 2080117621 HYQWRDBUTPKWGO-CYBMUJFWSA-N 449.239 4.632 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(c2cc(Br)c(C#N)cc2F)C1 2118155952 FKCXIVVJTPSUNW-QWHCGFSZSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CO[C@H](C(F)(F)F)C1 2129096425 IKGZGHRIBVQFBG-XJKSGUPXSA-N 435.240 4.804 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2156367658 MLBFQANEUZMDBJ-IFMALSPDSA-N 428.370 4.935 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3ncc(Br)cc3C#N)C2)CC1 2162327081 GMOHPXIDOZNGGQ-INIZCTEOSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1c1cc(Br)cc(F)c1C#N 2174764714 BXIKIPSJTSRISL-JDFRZJQESA-N 438.341 4.732 30 10 IJEE Brc1ccc(Br)c(CN=C2N[C@@H](c3cscn3)CS2)c1 2175636861 PZRJYGUNISLPFL-GFCCVEGCSA-N 433.194 4.602 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1 2180916947 COJYNYDMZFWALO-ZFWWWQNUSA-N 436.350 4.733 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1cccc(Cl)c1 2212504593 XDCCKYLSDWMDMS-JTSKRJEESA-N 427.928 4.759 30 10 IJEE Cc1c(Br)csc1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2226123730 RQJQIOMVIPZYCW-KZULUSFZSA-N 426.185 4.517 30 10 IJEE CN(Cc1ccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1)C(=O)OC(C)(C)C 2232328834 SXQLACJIJXOXFQ-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE C#CC[C@H](C)C[C@@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237419867 JYKWJJMOIKUOPG-PWIZWCRZSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)ccc1F 2255369675 YCDHFOVYYHQFLA-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CCN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2255823781 XQHLRKAVZZRREW-UHFFFAOYSA-N 433.279 4.667 30 10 IJEE C=CCC1([C@@H](Cc2c(F)cccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2274035815 XFUMCNZKINFAFM-QGZVFWFLSA-N 427.358 4.532 30 10 IJEE C=CCCC1([C@@H](Cc2ccc(F)cc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281047151 FWOYWOFREILVLF-GOSISDBHSA-N 441.385 4.922 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1(CCNC(=O)OC(C)(C)C)CCC1 2296223206 ZWDYIGLASMKMDR-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2296289917 XBNCMPMEQYJKEN-MAUKXSAKSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)C12CCCC2 2296290800 HRQFNYHOMXXTMH-MOPGFXCFSA-N 434.374 4.731 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Cl)c1 2314478353 SEGFRYLEENEUEY-QHCPKHFHSA-N 447.922 4.605 30 10 IJEE COc1ccc(C=NN=C2SC(=Cc3ccccc3OC)C(=O)N2Cc2ccco2)cc1 2314818136 ANYXNCIZDGYOGM-UHFFFAOYSA-N 447.516 4.803 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318829624 OIAYRMLQLIXDLA-FXSPECFOSA-N 446.632 4.668 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cn(C)c2ccccc12 2320923288 SIQXOIWPVZMLMK-UHFFFAOYSA-N 446.580 4.562 30 10 IJEE CCCCOc1ccccc1C=NNc1cnn(-c2ccc(OC)cc2)c(=O)c1Cl 2322591610 PMXGAEAEOXRWRY-UHFFFAOYSA-N 426.904 4.519 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)OCC(C)C)c(C)c1C 2322825162 QJXSLMMMPJBGBI-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c1 2323494454 KDWPFVPVIMBVGO-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O)Nc1ccccc1 2325739971 CIPRSLGZMGGTCW-UHFFFAOYSA-N 437.398 4.922 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2cccc(Cl)c2)cc1Br 2326461231 JTDOKLMRCZNDJJ-UHFFFAOYSA-N 437.750 4.877 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2327760035 KCWFINSIAQTAEA-GOTSBHOMSA-N 444.616 4.544 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2327840060 VRXGNXWZBYXFJY-VYXDICFBSA-N 448.568 4.900 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccncc1 2328695533 SFZPUBNQKFOVEF-UHFFFAOYSA-N 443.576 4.684 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2328794476 OUGOXQSIQAMKNA-UHFFFAOYSA-N 439.302 4.677 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCC)c(OC)c1 2329761668 ZSYJXTQEPWIMBF-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE Cc1ccccc1COc1ccc(C=Nn2c(SCCO)nnc2-c2ccccc2)cc1 2330705152 KEPAETGRHLBVDI-UHFFFAOYSA-N 444.560 4.799 30 10 IJEE Cn1cc(C=Nn2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)c2ccccc21 2330959118 INFVXIOASBSTJD-OAQYLSRUSA-N 435.528 4.935 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)c1 2331164183 KTAROICKKMYIQO-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCOc1c(C=Nn2c(COC)nnc2SCc2ccc(C)cc2)cccc1OC 2331549970 QVMJVIXFIVSZOZ-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@H]21 2339589147 SIYXIEGNNGCKDC-FBQSWETPSA-N 441.381 4.536 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(OC)c(OC)c2)C3=O)c1 2155689 SPMRVLVUXYVXKS-FSJBWODESA-N 432.428 4.548 30 10 IJEE C=CCOc1ccc(Br)cc1/C=C1\C(=O)N(C2CCCCC2)C(=S)N1C 3662807 QCWZBCYFICFNCG-GHRIWEEISA-N 435.387 4.746 30 10 IJEE CCOc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)/C(=C\Nc1ccc(C)c(C)c1)C2=O 8857373 YDZUKXFBZWEOBU-FVECTHPASA-N 448.441 4.623 30 10 IJEE COC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)S/C(=C/c2ccc(C)cc2O)C1=O 36257508 ZSZDIWQVTRKDPC-MHWRWJLKSA-N 435.423 4.873 30 10 IJEE C=CCOC(=O)C1=C(C)N(Cc2ccc(F)cc2F)C(=O)C[C@H]1c1ccc(F)cc1F 37576781 ZRHGHYWFEZMTMM-SFHVURJKSA-N 433.401 4.762 30 10 IJEE COc1ccc(CCn2c(O)c(C(=O)c3ccc(C(C)(C)C)cc3)c(C)c(C#N)c2=O)cc1 38624536 IMLDTNIPFXHFPW-UHFFFAOYSA-N 444.531 4.514 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)S/C(=C\c2ccc(OC)cc2OC)C1=O 103170110 QTMCAOTTYFZNNZ-UNOMPAQXSA-N 425.506 4.556 30 10 IJEE O=C1/C(=C\Nc2ccc(F)c(Cl)c2)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 104400692 ZCKDSFFHDMULAW-FYJGNVAPSA-N 442.899 4.965 30 10 IJEE Cc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c(C)c1 105337807 OPZBCBQJLLKRSN-UDWIEESQSA-N 442.537 4.990 30 10 IJEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973326 FKRUEHBCRTWZQG-DEOSSOPVSA-N 437.499 4.973 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 170057135 PRKRSDZOJRYBJU-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)c1 170095695 NTWPRRPXYPJTSE-FQEVSTJZSA-N 436.851 4.674 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C)o3)nc2c1 170103636 CLOOZWIKJJQYDR-HXUWFJFHSA-N 431.423 4.695 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccco1 170123394 DHSITYGTKCDEFW-XMMPIXPASA-N 443.499 4.946 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(O)cc1 170137278 ZZMLASKCVUADKX-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170169079 XYPJHXGWQLRBLV-HSZRJFAPSA-N 428.463 4.882 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccn1 170170465 AXCHNFOKWUJDGB-QFIPXVFZSA-N 428.488 4.798 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)c1 170259448 LRIVOIQLZVEPTM-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2C)cc1 170272540 AYCSODCILLNRGJ-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)ccc1Cl 170279593 MZEDWHBTRBHDSE-GOSISDBHSA-N 429.881 4.782 30 10 IJEE CCCCCCC[C@H](NN)c1cc(Br)ccc1I 232937854 FPCTVPOTYMVOSI-AWEZNQCLSA-N 425.152 4.919 30 10 IJEE CCOc1ccccc1/N=N/c1c(C)c(C#N)c(=O)n(CCc2ccc(OC)cc2)c1O 256022874 DPLRQPDQEKHOII-CYYJNZCTSA-N 432.480 4.799 30 10 IJEE N#Cc1ccc(F)cc1CNc1cc(Br)ccc1I 311613249 FUQVPBQSHDUHPB-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE N#Cc1cccc(/C=C/c2nc(C3(c4cccc(Br)c4)CCOCC3)no2)c1 445396051 ZGUNTPYAFMCJFI-BQYQJAHWSA-N 436.309 4.971 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CCOC)Cc1ccc(C)o1 460376748 VABYKOOERBYCDL-GOTSBHOMSA-N 436.556 4.654 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nnc1-c1ccncc1 481356808 BMPKPDFDBHJMFR-LJQANCHMSA-N 447.608 4.836 30 10 IJEE CN1CCC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[C@H]1c1cccs1 524642758 FLYHCQMQIUNTKW-JPYJTQIMSA-N 435.549 4.605 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@@H]1c1ccc(C)o1 526522193 PKOCSMHSTNYMGQ-JOCHJYFZSA-N 430.460 4.924 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)c1 526660276 CNZBWXYPKJKHPI-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 549698251 HJWYDMOBLIQLSY-GOSISDBHSA-N 447.308 4.594 30 10 IJEE N#Cc1ccc(CN(Cc2ccncc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586134496 HMGYSJDYQANADM-UHFFFAOYSA-N 432.332 4.651 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)COc2ccc3nc(-c4ccccc4)oc3c2)nc1C 586473858 DMXXNRJOEKSFED-UHFFFAOYSA-N 449.488 4.620 30 10 IJEE CCC(=Nn1c(-c2cccs2)csc1=NCCOC)c1ccc(OC)c(OC)c1 606348025 TYDMGNQSYUQICF-UHFFFAOYSA-N 431.583 4.505 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c2c(c1)OCCO2 698830812 XRLMXKBYVIKBOO-OAHLLOKOSA-N 425.323 4.678 30 10 IJEE N#Cc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2ccc([N+](=O)[O-])cc12 742423343 HWBRSGIMBHDPFH-HNNXBMFYSA-N 439.422 4.697 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1OC 743804909 ZWJMRVPJHNJITI-UYAOXDASSA-N 428.529 4.817 30 10 IJEE C=CCn1c(-c2ccco2)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S 798179311 UVVGFHOVLWIIJU-SFHVURJKSA-N 426.542 4.672 30 10 IJEE CC(=NNc1ccc2c(=O)[nH]ccc2c1)c1ccc(Br)cc1Br 814924121 GYGVTXHHQGRTMY-UHFFFAOYSA-N 435.119 4.889 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](O)c2ccc(Cl)cc2)cc1OCC 913170280 TXUGIECIQNPIIN-GOSISDBHSA-N 440.765 4.889 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1 1084267770 FIRIXFLPSLAZBQ-MZMJOOCESA-N 426.933 4.608 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ccc(C)cc1Br 1124535910 WILDVZQWDUZLNI-UHFFFAOYSA-N 447.325 4.819 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1 1128905787 HSZDQVFXKJHMHK-QFIPXVFZSA-N 427.470 4.985 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)NC3(Cc4ccccc4)CCOCC3)c2)cc1 1129012371 GVCJTBMPWJQYNY-UHFFFAOYSA-N 426.516 4.659 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)Cc1cc(Br)ccc1Cl 1129284955 BEWXXVINRBZNTK-UHFFFAOYSA-N 429.705 4.650 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](C)CN1C(=O)OC(C)(C)C 1137901186 HTYSZCATYRCAFY-OALUTQOASA-N 449.551 4.607 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c(OC)c1 1141719780 RSGQWKAXNIJDIQ-OYRHEFFESA-N 436.596 4.597 30 10 IJEE C=CC1(CC(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)CN(C(=O)OC(C)(C)C)C1 1146798696 CJLVLELWCYKEQT-FQEVSTJZSA-N 441.616 4.579 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(Cl)c1 1157893335 HOTIRJRSBWKJNE-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)c3cc(OC)c4ccccc4c3)ccc2c1=O 1158407441 JJARAQSUBXNFRC-OAHLLOKOSA-N 445.544 4.524 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1161092982 ROSIYPOUWRNJQK-UHFFFAOYSA-N 444.940 4.605 30 10 IJEE C=CCC[C@@H](NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1168563602 MGYHZWVIRGPJQM-WMZHIEFXSA-N 445.529 4.945 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 1181372311 IFKFFUBVNGORKQ-URXFXBBRSA-N 447.023 4.559 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1OC 1181622803 ZPXQMFQADZWFDN-LJQANCHMSA-N 447.963 4.918 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1 1195947157 QTFMSCBPIWLGHS-QHCPKHFHSA-N 430.470 4.992 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1 1198072046 KYEMYJKYZDFFDQ-UHFFFAOYSA-N 444.944 4.984 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2cccc3oc(C)nc23)cc1OC 1203584146 WQKHVIOEKXSQCG-UHFFFAOYSA-N 431.330 4.804 30 10 IJEE C#C[C@@H](NCc1nc(N(C)C)n(-c2ccccc2)c1Cl)c1ccc(Br)cc1 1205988319 GHMZMUVJKYRJFI-GOSISDBHSA-N 443.776 4.818 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc23)C(Cl)(Cl)Cl)cc1 1211816932 YMJDPQKXDSGSCM-KRWDZBQOSA-N 427.740 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 1246899507 QPJJUEFRIZYHNT-CYFREDJKSA-N 448.567 4.688 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCc1cccc(C)n1 1286279788 XPWZWZALYFDAMC-MOPGFXCFSA-N 437.975 4.866 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286341656 HOBLHVKCTBRZNF-PMACEKPBSA-N 434.506 4.781 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C(F)(F)F)n1 1286366211 XXRHDPJXVJRFCP-CQSZACIVSA-N 445.514 4.663 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1286496302 POAHNZZPBQCBHB-KXBFYZLASA-N 436.984 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1286668287 QUVMMZIFAINIDE-HXUWFJFHSA-N 432.996 4.833 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 1286679273 MWORYPMXPIXZLN-WHSBFGAESA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1286684510 IOJVEMKSUHFXKT-ICSRJNTNSA-N 430.618 4.720 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286709346 QTPWCGNPBCEHKO-GDBMZVCRSA-N 428.886 4.826 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCO[C@@H]1CCCC[C@@H]1C 1286719621 AFDPVRBGFUIWKI-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)C1CC1 1286737599 ROONTMJDTVQRKM-OAQYLSRUSA-N 448.514 4.535 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)Oc1ccccc1 1286753573 DWYZANGSCSICHQ-INIZCTEOSA-N 442.361 4.682 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1cc(F)ccc1OC 1286764715 YEKGZOXELFZRQP-UHFFFAOYSA-N 447.514 4.673 30 10 IJEE C=CCSCCn1c(N2CCO[C@@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1286835773 BYYPKOAQZPXOCT-OAQYLSRUSA-N 426.630 4.529 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1CCNc1ncc(Cl)cc1Cl 1288529192 GRCCBVUYGURFRJ-AWEZNQCLSA-N 436.391 4.563 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCC[C@H](C)C1 1300438661 RCIAIHAOXBLNIF-INIZCTEOSA-N 428.005 4.615 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)N(C)c1ccccc1 1300441334 LBZARYZHNRMOJN-RTBURBONSA-N 433.625 4.726 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](c1ccco1)N(CC)CC 1300446746 RYKOHXWQUUUCRF-IBGZPJMESA-N 446.382 4.997 30 10 IJEE C#CCSCCn1c(Nc2ccn(C)n2)nnc1[C@@H](C)Oc1c(C)cc(Cl)cc1C 1300778013 JMZXIAUVHZZBLT-MRXNPFEDSA-N 444.992 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N(CC)CC)nc1 1300790156 KALMAVGDWBJASM-HHHXNRCGSA-N 442.611 4.789 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)c1ccco1 1300906318 NGTYFLPINQVAKF-QFIPXVFZSA-N 430.936 4.510 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)on1 1301167987 JAUHMKAORAYQJW-UHFFFAOYSA-N 433.354 4.563 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301177317 XPGIFVVKJSCNFH-QHCPKHFHSA-N 448.970 4.868 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301209029 JMLDNLSMNWDPLS-KRWDZBQOSA-N 443.020 4.904 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1301209396 SFJDDEBWELUHOU-UHFFFAOYSA-N 447.974 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCc1ccnc(C(C)(C)C)n1 1301287110 OJPBWCGMCMZKAY-UHFFFAOYSA-N 429.572 4.769 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1Cc1csc([C@@H](C)OC)n1 1301342271 UVXROOKNCOTTBY-QGZVFWFLSA-N 425.602 4.980 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2ccccc2[C@H]1C 1301458573 CJXRYYHWUDCXII-GOSISDBHSA-N 437.588 4.702 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1c(C)noc1C 1301602366 OQKQCKRYDNSBLA-UHFFFAOYSA-N 447.992 4.768 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(F)(F)F)C1 1302979352 IEJHOZYFTPTUTC-INIZCTEOSA-N 429.830 4.817 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1303293617 HBWWXQFGCQQXSB-MXVIHJGJSA-N 430.548 4.566 30 10 IJEE C#CCOCCC(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC 1354994470 HZURKYGMUIZEQH-UHFFFAOYSA-N 426.321 4.877 30 10 IJEE CCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)CC2=O)cc1 1357964304 AINVVOSTMIWUNI-FQEVSTJZSA-N 440.503 4.690 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)Oc1ccccc1 1358877762 KFDDPMXHAYSBNV-HUUCEWRRSA-N 445.386 4.695 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 1358898596 WPHCKDLXTGWCGM-FQEVSTJZSA-N 447.583 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1359001884 GMXADCYSSPVZCK-JSGCOSHPSA-N 444.299 4.789 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC(F)(F)C1 1359020652 LLYVCIKXRYFVAL-CQSZACIVSA-N 443.325 4.773 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(OC)C1CC1 1359063816 FEQDMJVIDGUKSC-LZYPDUGYSA-N 436.600 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC(F)F 1359066479 CIOQOTNYQNWOHP-OYHNWAKOSA-N 434.556 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1359186373 DGBPMZDUBSAMHD-ZQHDKMAOSA-N 425.602 4.810 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](OC)C1 1359198963 GUAXFYXGDJZUFB-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 1359252662 BJTRAFDGYCPISK-UHFFFAOYSA-N 444.988 4.804 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359290509 DPJNNQGDLLTMHG-CYFREDJKSA-N 427.593 4.863 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H](c1ccco1)N1CCCCC1 1359529081 HKEGTCLFQVKPNV-OAQYLSRUSA-N 438.620 4.817 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1437621950 MGCVDHCVQUXXCI-DENIHFKCSA-N 427.566 4.936 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 1439961040 NTTYWAQOVQIEDB-UHFFFAOYSA-N 440.528 4.558 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc1C#N 1450011462 GEIOSHLTVOLWPD-UHFFFAOYSA-N 440.975 4.540 30 10 IJEE C=CCN(C(=O)/C=C\c1cnc(C(C)(C)C)s1)[C@H](Cc1ccccc1)C(=O)OCC 1459003606 YVNRZNNUQMEWJT-CLEWGBKMSA-N 426.582 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 1459635307 UIQMNBAYGCFHJO-YWZLYKJASA-N 429.973 4.819 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C(F)(F)F)cc1 1460041274 MAROWVHBLPLWEZ-IBGZPJMESA-N 434.414 4.799 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 1466436674 WGFGEDNOPNCNRN-UHFFFAOYSA-N 427.327 4.635 30 10 IJEE C#CCN(C(=O)NCc1cc(OC)ccc1Br)[C@@H]1CCCc2ccccc21 1468128776 JXVZOUPBTFGVSI-OAQYLSRUSA-N 427.342 4.680 30 10 IJEE C[C@H](NC(=O)NCc1ccccc1OCCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1468316716 ALAKOEAKLGRXCY-FQEVSTJZSA-N 442.563 4.726 30 10 IJEE C=C(C)[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)c1ccc(F)c(F)c1 1469854318 RCAGHKDPYOELAZ-MOPGFXCFSA-N 439.300 4.720 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@@H]3CNC(=O)C3)c2)cc1OCC 1474078460 KDLLDMMKIQLQHR-KRWDZBQOSA-N 445.357 4.628 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)c1ccc(Br)cc1 1476180446 KMGMJTZHSQOYAY-GOSISDBHSA-N 427.277 4.578 30 10 IJEE C[C@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccc(Cl)s2)CCO1 1493310734 FLOXGZVKQUKOLI-RDJZCZTQSA-N 441.988 4.983 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1494973241 HYWGGZLYHGLXFX-FKRCVWNDSA-N 447.587 4.526 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1495099398 COVBMRMNFUYVLN-SFHVURJKSA-N 440.592 4.557 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)SC)[C@@H]1CC[C@@H](C)C1 1504860315 FXNLURKIQLLOBE-YLJYHZDGSA-N 427.618 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCOC1CCCCCC1 1507517375 PTDBZTOYFSZAJY-MOPGFXCFSA-N 428.552 4.755 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1F 1507555061 FARWUJBNUVQGCU-UHFFFAOYSA-N 444.352 4.657 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](SC)C(C)(C)C 1507641966 FZAHGRIZHMYVTI-UNMCSNQZSA-N 438.641 4.885 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)C)C1 1507779429 NWOUSICROLLFAH-JKSUJKDBSA-N 437.357 4.948 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507826924 JVXFHXHDVGGNCJ-UHFFFAOYSA-N 430.600 4.842 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)CN2CCCC2)CC1 1507909298 ZSKJKXHDIZGZNL-JOCHJYFZSA-N 437.632 4.608 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H]2C(C)C)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1507930209 UKGDGTQQGSPTND-JQYIIUTOSA-N 438.616 4.915 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COc1ccccc1OC 1507987162 RSHKCHFHNLUXAC-NNMXDRDESA-N 442.604 4.543 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(CCC(C)C)CC1)C1CC1 1507990290 JIVKGGIKDUATBQ-UHFFFAOYSA-N 443.039 4.906 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H]2CC[C@@H](SCC)C2)cc1 1508100543 LMFXAZFTHANENX-PZJWPPBQSA-N 437.613 4.997 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(=C)CC1 1508150293 ISVHGXYSAOULOC-UHFFFAOYSA-N 437.382 4.922 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1508160586 HFKXYCQMGQQQMW-NRFANRHFSA-N 441.689 4.887 30 10 IJEE C=CCC[C@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 1519576038 DMMHESQWMAYUHU-QFIPXVFZSA-N 427.386 4.843 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(Cc2ccccc2)n1 1520236175 IJMDEUIVFIFOKT-UHFFFAOYSA-N 428.305 4.661 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 1528060843 JMGOSXLQIMCSQZ-LEWJYISDSA-N 440.996 4.643 30 10 IJEE C#C[C@@H](NC(=O)[C@H](OC)c1ccccc1C(F)(F)F)c1ccc(Br)cc1 1528087907 IZPUUMOVTQIWBS-IAGOWNOFSA-N 426.232 4.646 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(-c3ccc(OC)cc3)cc2)CCCN1C(=O)OC(C)(C)C 1531176527 QUDIRLBUNSDTQT-MHZLTWQESA-N 448.563 4.771 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1531552250 BJNZQLXESCCBBB-JXFKEZNVSA-N 428.326 4.510 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(CC)C1CC1 1538974066 RIXYYKLSKICQRP-OAHLLOKOSA-N 428.005 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1oc(CCC)nc1C 1538974279 SDNWMPVKODTQJI-FXAWDEMLSA-N 435.572 4.790 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)Cc1cccs1 1539312413 PRLIYBPTQOYUGD-FQEVSTJZSA-N 441.604 4.840 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1539567396 WIPDQYGUPHTXLG-LPPUWEFUSA-N 436.600 4.814 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nc(C)nc2sc(C)c(C)c12)c1ccccc1 1539636099 RQACNMVFCXDKCQ-MUUNZHRXSA-N 431.608 4.948 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC1CCOCC1 1539691407 YWTBMPUUTUYLNQ-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1539749691 CSDCBMZISBWSSW-NJNPRVFISA-N 430.543 4.755 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2([S@](C)=O)CCC2)CC1 1539836007 LHTWMVOYUDYZIE-NDEPHWFRSA-N 439.412 4.710 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1539840447 SVDWYHUDFHHEBC-RTWAWAEBSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1539877773 FAQQLROBTPDJGD-FYYLOGMGSA-N 438.616 4.697 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1539888120 LNNMEIAOGOMRSU-UNMCSNQZSA-N 443.661 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1539910491 KBXOIANODXNZJD-JOCHJYFZSA-N 434.588 4.650 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1cc(C(C)(C)C)no1 1540182652 SLMCGDREQKQYRY-OAQYLSRUSA-N 435.572 4.699 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1557476799 OUHOYHORWNQIMR-JOCHJYFZSA-N 442.600 4.680 30 10 IJEE C=CCOc1ccc(CC(=O)N2Cc3cc(Br)ccc3OC3(CCC3)C2)cc1 1558411515 FUCOESOBRQBXSP-UHFFFAOYSA-N 442.353 4.900 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC2(CCOC)CCN(C(=O)OC(C)(C)C)CC2)c1 1562324822 GIIVDDMIFXAQEM-UHFFFAOYSA-N 447.576 4.569 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](O)c1cccc(OC(C)C)c1 1562928915 ALSJJMPAHAQBPP-IBGZPJMESA-N 449.345 4.656 30 10 IJEE C=CCC[C@H](NC(=O)NCC[S@](=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1564138402 AONFGBOCXLIFIU-WRGVRERRSA-N 438.515 4.961 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(Cl)cc1 1564997891 QBHMSLWPNPETTQ-XLIONFOSSA-N 438.890 4.793 30 10 IJEE C=CC1(CC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 1566503731 IBQCXSMMIXKFIX-HNNXBMFYSA-N 449.389 4.536 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 1569302143 CQTWDGNNGGPYNB-UHFFFAOYSA-N 437.561 4.633 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccc2F)cc1 1583599966 DVHCEXINBRFQJV-OAQYLSRUSA-N 426.488 4.650 30 10 IJEE C#CC[C@]1(C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1583689491 JRUWMJOPAXBZTJ-VGOFRKELSA-N 436.474 4.862 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)[C@@H]1CCCc2ccccc21 1585188927 HWLOVQYVPLNNEG-ZEQKJWHPSA-N 428.576 4.695 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(OCC(F)(F)F)cccc2s1 1586036157 DBRJJRFGPLAWIC-UHFFFAOYSA-N 435.427 4.905 30 10 IJEE C#CCN(C(=O)c1cc2c(C)ccc(F)c2[nH]1)[C@H]1CCOc2ccc(Br)cc21 1586216429 HKQFFICINTUPCU-IBGZPJMESA-N 441.300 4.977 30 10 IJEE COc1ccccc1Oc1ccc(C(=O)OCc2cc(Br)cc(C#N)c2)nc1 1586310476 ADQLMDDPFIIGES-UHFFFAOYSA-N 439.265 4.874 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(CC)CCC 1587568925 TWAYFJDIDNURCI-FQEVSTJZSA-N 432.616 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCc1nc(C)cs1 1587604845 ZRMRJTUDNMRFOO-GOSISDBHSA-N 430.581 4.739 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccs2)CC1 1587807645 HGCVEUOOWGYJRJ-OAQYLSRUSA-N 449.624 4.836 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(CCOCC)CCCC1 1587922334 ZJEGFMJZXREBCF-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(COC)CCCCC1 1588283691 BYDAGEWEWDYOBI-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(CC(C)C)C1 1589224389 ZGOKFWHDRFKTRE-WNCULLNHSA-N 433.644 4.537 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1589316461 CAYZUMCQYFXYEE-MSOLQXFVSA-N 446.418 4.836 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCc1ccccc1 1593683358 KKXKOOZQZJRQNS-NRFANRHFSA-N 439.604 4.995 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1593735406 FTEDMGGDGXCFND-NRFANRHFSA-N 434.588 4.596 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)N(CC)CC)CC1 1594192458 IPVQTQQJTHECDO-OALUTQOASA-N 429.584 4.690 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCN2CC)CC1 1594193595 SBUWTFOPXQEXKE-RXVVDRJESA-N 444.023 4.958 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1)c1ccccc1 1594544146 HETPKEGXUHYQNB-YADHBBJMSA-N 439.604 4.551 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1594914262 YZBHQKDZWFCXJJ-QDMKHBRRSA-N 437.357 4.673 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C)C1CC1 1595055004 WVJWDCGIUYNUDE-ROUUACIJSA-N 429.609 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)O 1595142638 TUKNFHPSMACWER-MRXNPFEDSA-N 430.549 4.582 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](F)COC 1595157149 WGQYXNWPHASVFF-KRWDZBQOSA-N 439.560 4.675 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCCOC2CCCCC2)C1 1595707527 XELUPAFCYAPHTI-HXUWFJFHSA-N 428.552 4.605 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)(C)C)CC1 1595860163 JFJZPNCWJHLYCG-UHFFFAOYSA-N 425.602 4.520 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccco1 1595860825 XMXMVNWVWSKLPI-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)CCOCC1 1613737065 AGTFYPUYSSGGCG-UHFFFAOYSA-N 427.980 4.935 30 10 IJEE COc1ccc([C@H]2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)C2)cc1 1615387302 COWUZDAYXMFPHA-NRFANRHFSA-N 434.584 4.918 30 10 IJEE C=CCN(CCC(=O)Nc1cc(F)cc(F)c1)Cc1cc(Br)ccc1F 1615387439 GUIYWWUTPRUKKR-UHFFFAOYSA-N 427.264 4.883 30 10 IJEE C#CCN(CC(=O)Nc1cccc(Cl)c1C)[C@H]1CCOc2ccc(Br)cc21 1615536321 SKZDMGPKWFOLNV-IBGZPJMESA-N 447.760 4.808 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 1617484500 MUQRGKMVROSACQ-PWRODBHTSA-N 432.561 4.557 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)C1CCCCC1 1617631756 AEZKXYBHVZPGNK-QHCPKHFHSA-N 434.632 4.954 30 10 IJEE Cc1cc(C)cc(C2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)c1 1622649806 CMDJDUCABDNMCS-UHFFFAOYSA-N 433.371 4.506 30 10 IJEE C=CC[C@]1(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1624162615 BFNGVQIWXTVZQK-RUZDIDTESA-N 435.653 4.691 30 10 IJEE N#Cc1cccc(CNC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1 1628359756 CVYNDNPNZWPIFS-RUZDIDTESA-N 444.966 4.828 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1628591795 NMOPPCWZNYTVOY-SFHVURJKSA-N 425.495 4.661 30 10 IJEE Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1628600525 HWOWLBWLSZSGFV-UHFFFAOYSA-N 441.500 4.548 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccncc1 1631877522 HPXQLEIGGZDANQ-FSSWDIPSSA-N 442.604 4.910 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc3c(c2)nc(C)n3C2CC2)CCCN1C(=O)OC(C)(C)C 1635109373 QFLLKOZGTOGNNW-VWLOTQADSA-N 438.572 4.642 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1640397082 GINJQINQIDMJAV-KNQAVFIVSA-N 426.582 4.969 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)nc2sc(C)c(C)c2c1=O 1640683553 FZYVTXCSTPPIFG-MRXNPFEDSA-N 445.997 4.812 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 1642656549 QPCBTZABDDDVPF-UHFFFAOYSA-N 443.569 4.742 30 10 IJEE C=CCN(CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@@H](C)COC 1643802179 BSIKANKOAZYOKK-INIZCTEOSA-N 433.346 4.703 30 10 IJEE C=CCOc1ccc(C(=O)NCc2cc(C(F)(F)F)ccc2Br)cc1OC 1645172600 QVZMDPUOENBOAL-UHFFFAOYSA-N 444.247 4.971 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)NC[C@H](O)c3ccc(Cl)c(Cl)c3)c2)c1 1646246410 FDABFUWBEYDRDS-QFIPXVFZSA-N 441.314 4.907 30 10 IJEE Cc1ccc([C@@H](NC(=O)Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)C2CC2)cc1 1652062618 BBKKAWKUFHWDQN-JOCHJYFZSA-N 437.952 4.678 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 1658618828 FSKDDJJLTLURGA-UHFFFAOYSA-N 428.330 4.915 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(F)c(C)c2)c1 1661061191 VDJDCZNACCTYKT-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE CN(C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)C1CCS(=O)CC1 1662729458 HAAFOQOJOZXBRQ-UHFFFAOYSA-N 433.986 4.738 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC)c1ccc(Cl)cc1F 1663910327 NHELKMVCVGSSLQ-GOSISDBHSA-N 443.906 4.747 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(C(=O)OCC)(C(F)(F)F)CC2)cc1OC 1665789648 IRAYRUQJQUMGFT-UHFFFAOYSA-N 435.870 4.621 30 10 IJEE C#CCN(C(=O)NCCCc1cccc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1668497440 WQKWXXNJELRGLX-HXUWFJFHSA-N 445.332 4.689 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1)C(C)C 1669598835 RUBFSISCECTXJH-SNVBAGLBSA-N 436.253 4.737 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 1669599049 WRBILRDAAHUWGH-UHFFFAOYSA-N 441.597 4.920 30 10 IJEE Cc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1S(=O)(=O)C1CCCC1 1670212254 DJIPHNJQIAWNBA-INIZCTEOSA-N 427.526 4.646 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2cccc(F)c2)CC1 1670845993 WMBFNYDZFFDJHD-UHFFFAOYSA-N 434.309 4.507 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cccc(Br)c1I 1671275038 VKZWLSGNQJKAJH-UHFFFAOYSA-N 437.119 4.920 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 1677287653 BADQEYNDXHOPEK-UHFFFAOYSA-N 425.960 4.882 30 10 IJEE N#C[C@@H]1CN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)CCN1Cc1ccccc1 1683406621 ADUMVIVVSFBWBE-JWQCQUIFSA-N 434.559 4.867 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 1683693944 XCQZGILXENDJNV-UHFFFAOYSA-N 447.624 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(SC)CC1 1689857756 BUTFNCBXEARDOQ-KRWDZBQOSA-N 433.021 4.605 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCO[C@H]1C(=C)C 1690036982 IHRPEUIVIDTQMS-SKPFHBQLSA-N 448.636 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CCC 1690063834 QGKNPVQSWFDFRK-OAQYLSRUSA-N 439.673 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCN(CCC)C1 1690198486 PSOLAUYCOVVCBV-UZUQRXQVSA-N 446.426 4.976 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccccc1C 1690227537 BINGUAHKYOZHPF-MJGOQNOKSA-N 431.378 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1690261557 QUACNIWSPRDVQD-ISKFKSNPSA-N 446.643 4.987 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccsc1 1690287595 JKWAZHGZMBSAFC-GOSISDBHSA-N 431.606 4.667 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1690502909 JUZXGCVUFVQULE-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CSCCS1 1690520745 BQYWXHHSYWNVOV-FQEVSTJZSA-N 432.659 4.841 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1 1690733930 QVCFYZBXRKCGTG-DOTOQJQBSA-N 439.050 4.932 30 10 IJEE CC(C)(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1nccn1C(F)F 1691131801 FGBHVMXAUAZGJF-UHFFFAOYSA-N 439.514 4.547 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC1(COC)CCCC1 1705481676 KZLSRZFYIXEFFF-QGZVFWFLSA-N 432.515 4.601 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 1705510720 XATDKWLEGUVSPX-OAQYLSRUSA-N 447.549 4.698 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CC2)C1 1705666827 XWNVURCVWHXNQZ-QGZVFWFLSA-N 433.046 4.827 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1705677328 KPGFIHHTWFLQEQ-XAJLNHFYSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)CCOc1ccccc1Cl 1705693630 IYQFUQBMQXWNCU-OPYAIIAOSA-N 432.996 4.941 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(C)(C)OC[C@@H]1C 1705731210 SXADVKPKCZRZQW-PZJWPPBQSA-N 442.604 4.631 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1705758200 MKKDCTLPQUJYDI-KRWDZBQOSA-N 434.878 4.747 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1705771682 BJUABXAASAYIRJ-OALUTQOASA-N 428.602 4.551 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2cccc(C)c2)CC1 1705776467 HEOUPNDTZQYUCM-QFQXNSOFSA-N 438.616 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnn(C)c1 1705787851 GZPKIANOVCYZFM-UHFFFAOYSA-N 428.968 4.579 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1705813876 VZXDSKLPGVGWKP-FQEVSTJZSA-N 425.964 4.828 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1705875308 OCEKTZVVOHIOGS-NOZRDPDXSA-N 429.568 4.610 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705886523 CBXKPIRBDLTHEE-ZWNOBZJWSA-N 433.247 4.667 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cccs2)C1 1705928313 OOOZLYZXWSDWEW-GOSISDBHSA-N 426.611 4.770 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705944916 WVNCDFMZQAPQDH-OAHLLOKOSA-N 426.508 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCN(CCC)C1 1722281844 WAXJYOPJWPKFTH-AZUAARDMSA-N 448.640 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCC1(C)C 1722303549 PJWUOTZCFDPZEO-QRVBRYPASA-N 429.609 4.634 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@@H](C1CCCCC1)N(C)C 1722421817 ODGBSHLYZRTWTM-DEOSSOPVSA-N 437.607 4.835 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1722523324 NFYQHMAFMXYPKW-HUUCEWRRSA-N 441.523 4.608 30 10 IJEE C=C(C)COCCn1c(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C 1722538886 ZRWWTIQAWOQPDY-LJQANCHMSA-N 436.959 4.539 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722585785 JHFDLPJWFUKMTR-OAQYLSRUSA-N 433.556 4.609 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1cccs1 1722590610 HCCQCSSDRKGKQL-OAHLLOKOSA-N 427.574 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722590971 CYBWRRBQYLDQIP-ISJBWFOZSA-N 438.616 4.552 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1722595383 NZMUBFONDUSDRQ-OAQYLSRUSA-N 434.588 4.524 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1c(F)cccc1F 1722599492 FULFIJULCIZCKN-UHFFFAOYSA-N 443.498 4.667 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1722602216 SOTDNMDMIDECDY-HSZRJFAPSA-N 441.938 4.587 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1722618703 MELWSDCLMVQXKV-UHFFFAOYSA-N 435.641 4.997 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCCS1 1722652811 NWXYQVGFISXYRX-OAQYLSRUSA-N 437.613 4.771 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722658709 INABFXJZFRTTRX-WOJBJXKFSA-N 443.611 4.621 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccccc1 1722685997 PTIUGMWOBGFXFY-HXUWFJFHSA-N 425.577 4.605 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1722740270 SDNZPRYNNPOAKE-QHCPKHFHSA-N 444.670 4.805 30 10 IJEE C[C@H]1CCCC[C@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1726670788 GUXFWDQQLQHHHL-JZJXAQOMSA-N 439.629 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC=CO1 1740538330 FTHHMPZZWKAHIH-ZFWWWQNUSA-N 435.753 4.512 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(Cl)ccc2C1 1740583031 LHMMJGXUPRWKHE-UHFFFAOYSA-N 444.764 4.665 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1740676020 NSKGTDGNVLZAFG-SFTDATJTSA-N 439.623 4.723 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1740737960 AUETZCMYFBMRCH-CQSZACIVSA-N 449.393 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(CCC(C)C)CC1 1740768741 BYVCDBGUBAMGJB-UHFFFAOYSA-N 434.632 4.977 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cccnc2OCCC)CC1 1740841891 DPRWCWFCTKNWRR-UHFFFAOYSA-N 447.583 4.800 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CC2)CC1 1740843877 RYZPDADWVJYJPP-LJQANCHMSA-N 441.595 4.692 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740844423 ZGGALRJETHEENE-VXKWHMMOSA-N 435.616 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740852425 NFHFUKDLZLZTRD-OAQYLSRUSA-N 448.615 4.749 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1740853900 JMYGFCDTGCTKGD-FPOVZHCZSA-N 435.597 4.595 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)c1ccccc1 1740856460 TVCSGCRBCZRIMM-UPVQGACJSA-N 448.615 4.631 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740861341 JPZBWOQVVHOLNF-OAQYLSRUSA-N 425.964 4.871 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCC1CCOCC1 1740928248 ZRGXOJDYZBKKKV-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(SC)cc1 1748775347 JIWQJLBXFCLHGZ-UHFFFAOYSA-N 447.427 4.803 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCO[C@H]1C(C)C 1748876895 XXNIZQMVNSAEHG-GCJKJVERSA-N 442.966 4.652 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)SC 1748881463 FBQYEHGCQPYSGY-KRWDZBQOSA-N 426.655 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749122704 ZLBKOPFGUAHFAP-JWWGGVBKSA-N 441.526 4.525 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1749196495 QVWPOXFQQNRZRJ-HXUWFJFHSA-N 426.561 4.831 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccnc2OCCCC)CC1 1749287769 ALYYRYGNNRRHOZ-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2CC2)CC1 1749342292 YELZQLLRCYYNOJ-HXUWFJFHSA-N 429.609 4.595 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@H](C)N2CCCCC2)CC1 1749343441 KCCHYXYHDHPTMQ-NRFANRHFSA-N 437.632 4.544 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOC)CCCCC2)CC1 1749347774 GZEAHEFVYHSRHB-UHFFFAOYSA-N 440.636 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1749375578 DPYJUYSOGSRURP-MOPGFXCFSA-N 449.640 4.547 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN2CCCC[C@H]2C1 1749391780 SQJKLKXRDFZSFJ-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)c1cccc(C)c1 1749506390 HVDSALGCYHZOER-SESVDKBCSA-N 439.604 4.783 30 10 IJEE Cc1cnc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1751731596 BRVYRJMMTHSORJ-HOYKHHGWSA-N 434.613 4.762 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC2(CCC2)C1 1760158476 MHYMNJDDZAETJV-UHFFFAOYSA-N 449.382 4.584 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C(C)C)C(C)C 1760214771 BCUFDCXJLLYAKC-UHFFFAOYSA-N 443.998 4.709 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1Cc1cc(C(C)(C)C)no1 1760230496 HRFZPGGCQHLXRV-UHFFFAOYSA-N 442.361 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCCCO 1760288425 BWNYVKMNPKBOND-WZONZLPQSA-N 430.980 4.616 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccoc1 1760302516 GPJBFDJZTPXNCJ-UHFFFAOYSA-N 437.725 4.745 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCCCC)C(C)C 1760304256 NZWWQSBVVYRATC-UHFFFAOYSA-N 435.366 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCC(F)(F)F 1760336232 WIPLMNZECXUFIZ-BEFAXECRSA-N 433.478 4.796 30 10 IJEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1760360986 CUQKPXBHAFJVMV-NFBKMPQASA-N 440.588 4.617 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-c2ccsc2)nc1 1760465734 RNBZXMHIOZCFBD-UHFFFAOYSA-N 431.565 4.672 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(C)C)C1CC1 1760469529 DFGCNQSGMPIVBU-UHFFFAOYSA-N 429.996 4.699 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CCCSC)C1CC1 1760470163 XBLNQPGHMHAKTQ-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCCCC1 1760477988 QVJKNVRAYZFPQG-UHFFFAOYSA-N 448.615 4.739 30 10 IJEE Cc1ccc(Cn2c(C3CC3)nnc2N2CCC[C@@](C)(C#N)C2)c(OCC(F)(F)F)c1 1761789762 DDSQRENUTZQOEC-NRFANRHFSA-N 433.478 4.583 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)C1(C)C 1766125890 DPDFQKIBHAGECF-WOJBJXKFSA-N 439.629 4.742 30 10 IJEE C=CCNc1nc(-c2ccnc(N3CCN(c4cccc(C)c4)CC3)c2)cc2cnccc12 1857831693 DOBCOTZXZIBGMJ-UHFFFAOYSA-N 436.563 4.925 30 10 IJEE CCCCOC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1858698851 XQRTTZDWWWGIJF-AWEZNQCLSA-N 442.541 4.506 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccccc2Br)cc1 1860880924 BXJHMXJURRAUDG-UHFFFAOYSA-N 434.293 4.503 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC)c1 1862436908 FEQUUHUOEWUETM-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(O)c1 1862457215 KYWWNXSYMJSTNR-HXUWFJFHSA-N 433.426 4.968 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 1862475414 KYBHFMHNCJBUPO-FYYLOGMGSA-N 447.918 4.960 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(Cl)cc2)ccc1F 1862502652 GKLUMXPHRLEONC-NRFANRHFSA-N 444.934 4.708 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Br)cc2)cc1 1862540659 SHTNQVXRHIKIDP-LJQANCHMSA-N 426.310 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862695214 BESFHHJFZHBNKQ-DEOSSOPVSA-N 446.547 4.599 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)cc3)C2=O)c1 1862900205 BXZMAZCYTUDGDU-UHFFFAOYSA-N 425.513 4.985 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)/C=C\c2ccc(Cl)cc2)ccc1Br 1870140641 BQDYJCJHEXRLQJ-WTKPLQERSA-N 442.704 4.515 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)Cc1ccc(Cl)cc1 1870147465 QVLOURVWMIAUTL-UHFFFAOYSA-N 440.212 4.646 30 10 IJEE N#Cc1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1NC(=O)c1cccc(F)c1 1870158913 VWQALGJVZDQCRS-UHFFFAOYSA-N 443.282 4.568 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2cc(C)cc(C)c2)cc1=O 1871006397 DIYNDQOSCSZAHQ-UHFFFAOYSA-N 425.532 4.813 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)cc1 1871350360 BVRCHTGORNZQCH-BDIWLQQYSA-N 433.504 4.820 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc(OC(C)=O)c4)c3C)C2=O)c1 1871390292 OUINQPKECDDBPP-QRVIBDJDSA-N 444.439 4.764 30 10 IJEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871665954 IBEANHTUCFHONA-UHFFFAOYSA-N 428.625 4.866 30 10 IJEE COc1cc(OC)cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 1872785007 CBWDCVYMNNYSOD-MRXNPFEDSA-N 428.897 4.979 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@@H](C)CC)cc2)=C(c2ccc(C)c(C)c2)C1=O 1873363822 AZEKURMVCGAYJX-SFHVURJKSA-N 432.520 4.637 30 10 IJEE O=c1c(Cl)c(N/N=C/c2ccc(Br)cc2)cnn1-c1ccc(Cl)cc1 1873526347 AEYFWYTVTFJQRO-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE COc1ccc(/C=N/Nc2ncnc3[nH]cnc23)cc1OCc1ccc(Cl)cc1Cl 1873793772 XGZPLJPZYFJJKD-FLUNURKVSA-N 443.294 4.693 30 10 IJEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1cccn1C 1874198534 GNDQPXRUIPEJCG-XIEYBQDHSA-N 431.565 4.942 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1/N=C/c1ccncc1 1874313893 SFZPUBNQKFOVEF-ZXVVBBHZSA-N 443.576 4.684 30 10 IJEE CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874315453 SUMJKFXVYCKISU-KGENOOAVSA-N 431.359 4.656 30 10 IJEE Cc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1cccc2ccccc12 1874363484 HUOFWWJLEUSQBO-NLRVBDNBSA-N 430.577 4.882 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2F)o1 1874428227 XSAUTALKKJHISJ-ZMOGYAJESA-N 436.468 4.638 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2F)cc1 1874472528 JXFKFWLGDZUWPD-PCLIKHOPSA-N 442.560 4.960 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cccc(F)c1 1874477785 HQWBMTRCXIMJMP-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cn(C)c2ccccc12 1874506756 SVALKRUIUDYHPJ-YDZHTSKRSA-N 434.525 4.805 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2)c1C 1874510139 IJTRKMZZJWTZJO-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE CCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 1874530349 DSYYWMOZYAKNPC-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874697213 WXDLLAFCHWBBNJ-QLKAYGNNSA-N 433.416 4.727 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(CCCOc3ccccc3C)nnc2s1 1874772296 WTXGGVNZEPVPJO-UHFFFAOYSA-N 443.617 4.873 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)COC 1875171103 GZRDXXLPVKTSKZ-BQYQJAHWSA-N 432.900 4.812 30 10 IJEE C[C@@H](C#N)c1cccc(C(=O)N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)c1 1890807303 SGACCFLDYNBGKO-INIZCTEOSA-N 430.474 4.716 30 10 IJEE N#CC1CCN(CCNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 1891475857 FFRCGTCXIUCOFK-UHFFFAOYSA-N 437.587 4.763 30 10 IJEE C=C[C@H](C)Nc1cc(Br)c(I)c(Br)c1 1931651811 WBMDUUVFDGGQCO-LURJTMIESA-N 430.909 4.803 30 10 IJEE C=CCN(CC(=O)Nc1ccc(Br)cc1Br)Cc1ccccc1 1968802554 CLJCRKFTGZLVGU-UHFFFAOYSA-N 438.163 4.838 30 10 IJEE CCc1nn([C@@H](c2ccc(C)cc2F)C(C)C)c(I)c1/C=N/O 2079047445 LPVNDJDHMDRREE-UGNSCYDZSA-N 429.277 4.551 30 10 IJEE COC(=O)c1sc(NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)cc1C1CC1 2087920363 KDDVDZFGBRZOFE-UHFFFAOYSA-N 432.548 4.608 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1cc(Br)cc(C#N)c1 2105982710 DFGMIXLLARMVDN-KRWDZBQOSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)c(Br)c1F 2174767880 OYXQWUOILZKXHJ-XMQYKBBCSA-N 438.341 4.732 30 10 IJEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(Br)cc1C#N 2181044783 JEZWMAQHHGHHOG-CQSZACIVSA-N 438.366 4.836 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CC(F)(F)F)C(=O)C#Cc1ccccc1Br 2227470768 AXAWHMDFVYUVQN-QGZVFWFLSA-N 434.252 4.606 30 10 IJEE Cc1ccc(C#CC(=O)c2cc(I)ccc2Br)cc1 2231238966 ZAVCPUZWQNSTGS-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@H](O)C#Cc1ccccc1Br 2232074695 ZKTMISIANOPZEI-DLBZAZTESA-N 442.419 4.587 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(c3ccc(Br)cc3C#N)C1)C2 2234940913 CSVUVKSEYFCHBS-QVKFZJNVSA-N 434.378 4.937 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 2235734135 WBJDBTDOGRONBT-NEWSRXKRSA-N 439.369 4.516 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@@H](O)C#Cc1ccccc1Br 2235735201 SUVFKKVLGGAMRQ-UXHICEINSA-N 428.326 4.528 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2245891910 ADPBIGZALPWALY-LIRRHRJNSA-N 435.487 4.858 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#Cc1ccccc1Cl 2245958524 RDSZRUYFMSYADV-MTNREXPMSA-N 429.944 4.551 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)N(Cc3ccccc3)CC(F)(F)F)c2)OC1(C)C 2255921706 WPQMXLRYWIGPRV-UHFFFAOYSA-N 434.267 4.582 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cccc(Cl)c3Br)cc2)OC1(C)C 2283200230 PIKGJKBUVQLHNC-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE O=C(C#Cc1ccccc1Cl)[C@H](O)c1scc(Br)c1Br 2295237896 TZTCOVHSVLIPAD-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(N)(C#Cc1cccc(Br)c1)CC2 2296282340 VRDJPLQSAWCBCN-YTXWROIDSA-N 433.390 4.603 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@H](N)C#Cc2ccc(Br)cc2)CC1 2296303249 TWVDDPWKTSKCLD-QWFCFKBJSA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296310433 JQRLEBNZGYRNIF-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 2296596510 AOURVNGSEHOJKZ-UHFFFAOYSA-N 430.412 4.649 30 10 IJEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc(OC)c1)C2=O)c1ccccc1 2296867263 FQECQSFSLPSTOO-VWLOTQADSA-N 430.456 4.995 30 10 IJEE C=CCOc1ccc(C=C2N=C(c3ccc(Br)cc3)OC2=O)c(OCC=C)c1 2297455698 AOSKFOCOYVOQOB-UHFFFAOYSA-N 440.293 4.923 30 10 IJEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 2304196755 WPIBHPUFYYHHPQ-WHSLLNHNSA-N 436.557 4.852 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1cccc(OC(=O)c3c(OC)cccc3OC)c1)C2=O 2314527384 UIOJXRCHIDTMOX-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COC(=O)c1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1 2321985669 KXOQGJJHLXKJBZ-UHFFFAOYSA-N 445.471 4.651 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2nccs2)cc1Cl 2322974842 RCWCFXCAWQHMGS-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2325669049 QCVSSNYBBOJNCQ-UHFFFAOYSA-N 428.326 4.848 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)cc1 2326783667 LRUPIOKTASYKGN-UHFFFAOYSA-N 434.443 4.566 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccc[nH]2)cc1 2328436716 PGMDXKCJPNUVQY-UHFFFAOYSA-N 432.509 4.588 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccco2)cc1 2329175537 HUUAUASYMBKPPI-UHFFFAOYSA-N 449.492 4.575 30 10 IJEE C[C@H]1CCCC[C@H]1NC(=O)COc1ccc2c(c1)OC(=Cc1cn(C)c3ccccc13)C2=O 2329926211 TXXDPNZXOKGEDM-HTAPYJJXSA-N 444.531 4.868 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OC(=O)COCCOC 2330949325 WKSOSGYETSTDKI-UHFFFAOYSA-N 444.911 4.542 30 10 IJEE CC(C)(C)c1nnc(SCCO)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331414484 KMHMCNYZHCRZQU-UHFFFAOYSA-N 444.988 4.775 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 2331448934 SQSJXILDSRYTHT-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CC#CCCC[C@@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366647321 FQUTWOYEARUOCG-TZMCWYRMSA-N 425.763 4.601 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)Nc1ccccc1Cl 21077714 XLZOWDWUMDSZOR-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(F)ccc2F)ccc1OC(C)C 21254163 DYNTVFIAHVJPCU-CRAIPNDOSA-N 441.474 4.765 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCOC)cc1 33522895 SUSWGUXBKPIQFA-JOCHJYFZSA-N 449.503 4.619 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N/CCc1ccccc1 33705329 XFXMNZFKJKCVGM-LNZAWAQUSA-N 425.579 4.600 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)c1 34953929 RFYCYFZFMBDYFE-DEOSSOPVSA-N 441.531 4.543 30 10 IJEE C[C@H](Oc1cccc(C#N)c1)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 108986724 WGEPQNCKOBXJAQ-FQEVSTJZSA-N 436.515 4.837 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(OC)c2)cc1 169932090 SQUAKPHHUQJSTJ-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1OC 169940736 HNOBLPUFTPLAII-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccnc2)cc1C 170009877 HSIVDIZLLAHQKQ-OAQYLSRUSA-N 434.879 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 170078322 ZSCVFCWJZJGAMH-QFIPXVFZSA-N 445.475 4.987 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)c1 170092575 QDSTZNGSWBJQHZ-LJQANCHMSA-N 427.815 4.864 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccs2)c1 170156456 XRUVFMAXYBWRSZ-OAQYLSRUSA-N 433.485 4.611 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1C 170158129 GAZSXTUGDCSJCN-NRFANRHFSA-N 433.485 4.877 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)c1 170167647 AFLOURRZQAPLQX-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)cc1 170183202 JFRJVSGKLKUZCQ-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccnc1 170192792 XDXXBYHXHGIYLF-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1cccc(F)c1 170270912 NCCYVJGUBBUQNX-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2C)cc1C 170275848 BWPHONBXYBRQRO-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccco1)c1ccc2c(c1)OCO2 170287351 BXVWQMOQHHPONJ-QHCPKHFHSA-N 439.423 4.944 30 10 IJEE CCOC(=O)c1sc(N=Cc2ccc(N(CC)CC)cc2O)c(C(=O)OCC)c1C 254798167 OOBXXAOSABWKSE-UHFFFAOYSA-N 432.542 4.712 30 10 IJEE N#Cc1cc(F)c(N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1Br 312928007 DOXZBVDTCLNNBE-UHFFFAOYSA-N 428.349 4.952 30 10 IJEE CC(C)[C@]1(C)CSC(=Nc2cc(Br)ccc2I)N1 398506231 KDUVDTUMGKKZND-ZDUSSCGKSA-N 439.160 4.792 30 10 IJEE C=CCCCN(C)C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 434124234 HNJYOAFTNQKAHS-UHFFFAOYSA-N 427.570 4.626 30 10 IJEE CCN(C(=O)Cn1c(-c2scnc2C)nc2ccccc21)[C@H](C)c1ccc(C#N)cc1 463143413 OPAYPAXMCILZDL-QGZVFWFLSA-N 429.549 4.950 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 487852826 HHZXNBTXVWBFHL-PMACEKPBSA-N 444.535 4.868 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3C[C@H]3c3ccc(OCc4ccccc4)cc3)[nH]2)c1 492053814 FMXDOSSGNDDVFL-LOSJGSFVSA-N 448.526 4.947 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 508866137 YREGZUDAIDMUIZ-SFHVURJKSA-N 440.979 4.679 30 10 IJEE CC(=O)Oc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526489321 QRSUHCMKMXBXHJ-QHCPKHFHSA-N 428.419 4.680 30 10 IJEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 526515550 JNVCJALNGMXMJU-NRFANRHFSA-N 447.834 4.883 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)cc1OC 526802858 OURZFLXVWHGCDR-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1OC 526812460 WRGGGVBQMKQRJO-MSXFZWOLSA-N 446.960 4.912 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2c[nH]c3cc(F)ccc23)CC1 555243880 OJUZZBFTYALWKZ-UHFFFAOYSA-N 430.531 4.844 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(n2cc(Cl)cn2)CC1 561008493 WFTJATCMKLUKKB-UHFFFAOYSA-N 435.963 4.704 30 10 IJEE N#Cc1ccc(COCC2CCN(C(=O)CSc3nc4ccccc4s3)CC2)cc1 585222252 UTWWICYRUDWSEH-UHFFFAOYSA-N 437.590 4.715 30 10 IJEE Cc1cccnc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244155 USXGOXPIMLNKQG-UHFFFAOYSA-N 432.332 4.964 30 10 IJEE C=CCOc1cccc(NC(=O)NC2(c3ccc(Br)cc3)CCOCC2)c1 592980132 HEOQZAVVFBBASH-UHFFFAOYSA-N 431.330 4.841 30 10 IJEE CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1=O 609068021 FSKWYTJONAPYQS-HOCLYGCPSA-N 427.451 4.665 30 10 IJEE S=C(NCc1ccccc1)NN=Cc1cn(CCOc2ccccc2)c2ccccc12 725400224 JTZKMRDNCFNAOV-UHFFFAOYSA-N 428.561 4.719 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C(C)=C\c1ccccc1Cl 756286115 DUUVCURCLCYYHV-FUYCXPICSA-N 426.900 4.630 30 10 IJEE COc1cccc(COc2cccc(NC(=O)NCc3ccc(OC)c(C#N)c3)c2C)c1 756506783 YHZZSIWWFLHNNH-UHFFFAOYSA-N 431.492 4.785 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)Cc1c[nH]c2cc(Br)ccc12 767592552 PPCFMIBDGCJHGG-UHFFFAOYSA-N 433.689 4.772 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCC(=O)Nc1nc2c(cc1C#N)CCCC2)c1ccccc1 776350264 QJUVOCYULYICDJ-OAQYLSRUSA-N 434.540 4.817 30 10 IJEE Cc1ccc(-c2csc3ncnc(NN=Cc4c(Br)cnn4C)c23)cc1 782170527 JTMHOZSUGMYDOR-UHFFFAOYSA-N 427.331 4.609 30 10 IJEE CC(=O)N(c1nc(/C=C2/CCc3cc(C#N)cnc3C2=O)cs1)c1ccc(F)cc1F 788362677 MSTBOGWSSNITPH-CHHVJCJISA-N 436.443 4.585 30 10 IJEE CC(=O)N(c1nc(/C=C\C(=O)c2ccc3nc(O)oc3c2)cs1)c1ccc(F)cc1F 794711936 GPNMXIOUDUDJMT-DAXSKMNVSA-N 441.415 4.849 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1cc2ccccc2nc1Cl 795484187 SJIJSLSUHOFZRS-UHFFFAOYSA-N 438.940 4.615 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 800784064 USAHPHDHTWOGPJ-KRWDZBQOSA-N 449.864 4.776 30 10 IJEE CC/N=C1\S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C(=O)N1CC 1083931803 BUKOSPUUZXANBJ-DBOFRQRBSA-N 431.945 4.758 30 10 IJEE CCNC(=S)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 1084254084 ICPACPLKUJMXTO-UHFFFAOYSA-N 426.369 4.789 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1125613380 ZOVKDOGHILTXPC-FXAWDEMLSA-N 430.545 4.784 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)Cc3ccccc3O[C@H]3CCOC3)cc2F)c1 1125772805 CQLWRCZSJUFHJH-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1127570780 ZCWSZHCJCIENTH-OFVILXPXSA-N 426.532 4.671 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CCc2nc(-c3ccccc3)no2)s1 1128917518 BMSOJDCAPRNZIY-UHFFFAOYSA-N 449.001 4.590 30 10 IJEE C=CC[C@@H](C(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 1135760480 NLFMVUIPIJUSSY-AREMUKBSSA-N 425.576 4.785 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 1137710824 VORDYIPIJQNUMZ-UHFFFAOYSA-N 431.399 4.685 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCCC2 1140505235 KXCSLVULAYIWSH-HXUWFJFHSA-N 430.593 4.548 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CCCC)Cc3c(C)oc(C)c3C)ccc2c1=O 1178530176 JEOBAXWDSPDTPI-UHFFFAOYSA-N 439.581 4.832 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)s1 1179398307 GWWYUPSEXUGBOH-UHFFFAOYSA-N 440.569 4.701 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1180234062 AHBPDBDUNDIOSS-RXFWQSSRSA-N 444.575 4.954 30 10 IJEE C#Cc1ccc(CNc2nc(CN3CCCCC3)nc3sc(C(=O)OCC)c(C)c23)cc1 1186509742 ONRNTWJLBHKSLY-UHFFFAOYSA-N 448.592 4.756 30 10 IJEE C=CCn1c(SCc2ncc(Br)cc2Cl)nc2sccc2c1=O 1188283186 WVJVGXNPOMYSKW-UHFFFAOYSA-N 428.764 4.747 30 10 IJEE C=CCn1c(SC[C@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1ccc(C)cc1 1189025739 XBDRBCLJBRETRO-HSZRJFAPSA-N 434.609 4.823 30 10 IJEE N#Cc1ccc(Br)c(OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1 1189901835 GUNJPEPKAANVPB-HXUWFJFHSA-N 427.323 4.667 30 10 IJEE Cc1c(S(=O)(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)sc2ccc(C#N)cc12 1208043363 FQKKUNRCNWFREY-NRFANRHFSA-N 442.562 4.528 30 10 IJEE C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccc(Cl)cc1 1209641467 BQQPJJUBTADEBI-DPZKZMLUSA-N 439.762 4.650 30 10 IJEE C[C@H](Oc1cccnc1NC(=O)N1CCN(c2ccsc2C#N)CC1)c1ccccc1 1216790058 AWGYAUXLQQFJKG-KRWDZBQOSA-N 433.537 4.509 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1228700917 BGVKZSWFHPTAAX-FKVLARQCSA-N 449.636 4.615 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 1251135305 NTRXDZJJXFFURT-UHFFFAOYSA-N 439.556 4.908 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 1251830791 LXRGYNSRDQETAL-QFIPXVFZSA-N 433.518 4.966 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1266808530 BBVCUGXRWGXELH-GDAGCXPBSA-N 429.192 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)C1CCCCC1 1286581173 LZZGCEYTZYVLQP-XMMPIXPASA-N 432.559 4.881 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286602847 BQGDLJWMTNQLDM-QHCPKHFHSA-N 432.996 4.833 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCn2cccn2)CC1 1286648912 HSJUHYDAGSEYQA-UHFFFAOYSA-N 434.588 4.598 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286682585 AVXYOAGKELQVCH-UNMCSNQZSA-N 437.588 4.509 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1286694391 QMCNQVZOWXOZSP-UHFFFAOYSA-N 449.643 4.949 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286706483 RCIYDPXJSJKLFT-HXUWFJFHSA-N 436.629 4.963 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1287270635 BABWPQIUMKKWCJ-PZJWPPBQSA-N 425.552 4.739 30 10 IJEE C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1288575878 BECOMTFJQQWYLU-KOSHJBKYSA-N 444.624 4.569 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCOC(C)C)c1 1289461735 IEHBQGPPXIVJSE-RUZDIDTESA-N 439.604 4.844 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1291913820 ZWMPVWQXDRZZFV-MJBXVCDLSA-N 446.432 4.825 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSC[C@H]1C 1300370943 IVFLSNSARXNGDM-LJQANCHMSA-N 447.048 4.997 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCO[C@@H]2C(C)C)c1 1300373669 BWFUBUBCFFNQAQ-NIRIFSCTSA-N 437.588 4.535 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cscc1C(F)(F)F 1300472527 CEQKBSKPXVGFAL-UHFFFAOYSA-N 434.487 4.672 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1300973262 UTSDUWCPZQXOOC-GOSISDBHSA-N 443.979 4.794 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CN(C)C1=O 1301167541 BLIPESGDMYUAON-AREMUKBSSA-N 437.632 4.904 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)OC(C)(C)O2 1301170432 VPESCIWRPVKZCD-FQEVSTJZSA-N 440.588 4.910 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301231830 RAIXWGBGCCAYPN-NRFANRHFSA-N 434.588 4.558 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)nc1 1301340180 WQLLODZFHIAJQU-UHFFFAOYSA-N 441.583 4.509 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(F)(F)F 1301359251 JGRIYWZGNKUMDQ-UHFFFAOYSA-N 444.486 4.947 30 10 IJEE CO[C@@H](C)c1nc(COc2c(Br)cc(Br)cc2C#N)cs1 1307403298 APAIFZAPSHCGFG-QMMMGPOBSA-N 432.137 4.826 30 10 IJEE Cc1cccnc1OC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 1307728873 GKBLLMHSSIPGFI-UHFFFAOYSA-N 449.599 4.667 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 1310939764 ZMRHABDEBWWDPL-LBPRGKRZSA-N 441.903 4.555 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@]2(C)Cc2ccc(I)cc2)cc1 1311302357 BCZHULAYWYVGDJ-OAQYLSRUSA-N 444.316 4.902 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccccc1 1312130258 LXFMAKOLFYLGEY-ZJSXRUAMSA-N 432.907 4.874 30 10 IJEE C#CC[C@H](NC(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1)c1ccccc1 1312322381 RBKQQIVNRIQQTC-VMODYCNZSA-N 447.579 4.675 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O 1312744849 FLAUXKRDKOGCNX-BEFAXECRSA-N 449.979 4.990 30 10 IJEE C=CCC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1 1348066189 LBBLAQZXVLRZIR-QFIPXVFZSA-N 426.582 4.858 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)cc1 1355007577 PLBLZLPCESTYCX-OAQYLSRUSA-N 429.923 4.561 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(Br)sc2C2CC2)cc1 1356331343 SQKGTVOINZXTAS-UHFFFAOYSA-N 446.370 4.850 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC[C@H](COC)C1 1358906472 ITCPCGGQXAHYGF-SFHVURJKSA-N 432.515 4.603 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1OC1CCCC1 1359004000 FGCKXQIMFKOLER-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccccc1C 1359020093 RBZCLUIOUURHKB-LJQANCHMSA-N 448.636 4.769 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1359020377 AMMVXJPNSLDRIK-WMZOPIPTSA-N 440.897 4.978 30 10 IJEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1359051740 ISGKPOFYYOPONP-UHFFFAOYSA-N 441.551 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1C[C@H](F)C1 1359066304 WJIRYBLWZIFJBJ-IUSZMWJPSA-N 449.343 4.977 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359094268 YXKRFAYZNATOKK-ZCNNSNEGSA-N 445.489 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(CC)C1 1359104004 WKFIDDBLICXXOB-RVSNTGDXSA-N 428.552 4.604 30 10 IJEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Cl)s1)c1ccccc1 1359137118 GBUBTYSBMVRYHL-UHFFFAOYSA-N 441.988 4.579 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](OCCOC)C2)nnc1C(C)(C)C)c1ccccc1 1359195504 NPIIETGROUHBLM-FGZHOGPDSA-N 426.605 4.567 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@H](SCC)C1 1359212075 YZOIKDSPJLXIOP-IBGZPJMESA-N 428.602 4.795 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359212410 KXVBZGZZJNMNAD-QUCCMNQESA-N 425.577 4.651 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1)C(C)C 1359265340 DELCWXAXJBRJOH-PCCBWWKXSA-N 433.710 4.896 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC2(F)CCC2)C1 1359326123 SUBAMBAFCNVQHH-LJQANCHMSA-N 430.593 4.942 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1359338943 NFLGCXHKOWGCPY-FQEVSTJZSA-N 432.037 4.582 30 10 IJEE C#CCCOc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1 1435900689 BTVGEYAZDHLNFC-UHFFFAOYSA-N 442.353 4.673 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cc1C 1437494907 FRISVIUCPYAKMQ-HXUWFJFHSA-N 448.489 4.701 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 1442073333 AZFBKUDBGLWVHH-STZQEDGTSA-N 446.563 4.535 30 10 IJEE C#CCN(C(=O)c1cc2c(OC)cccc2[nH]1)[C@H]1CCOc2ccc(Br)cc21 1444126645 XEIQAGXHYRBTGB-IBGZPJMESA-N 439.309 4.538 30 10 IJEE C#CCN(c1ncnc2nc(SC)sc12)[C@H]1CCOc2ccc(Br)cc21 1458194352 KBJAXAYFRQRORT-ZDUSSCGKSA-N 447.383 4.534 30 10 IJEE C=C[C@@H](CC(=O)NCc1ccc(Cl)cc1I)c1ccccc1 1459644176 LGAUXNPPLJGWMN-ZDUSSCGKSA-N 425.697 4.921 30 10 IJEE COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 1459861757 GVFVKNMVFNRKAG-GOSISDBHSA-N 430.529 4.913 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1462247693 NHIUEUIJBOXBHQ-RBUKOAKNSA-N 432.992 4.821 30 10 IJEE C#C[C@@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC)c1ccc(F)cc1 1462282310 WIFWHNWNGHASJP-LJQANCHMSA-N 432.282 4.569 30 10 IJEE C=C[C@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1)c1ccccc1 1469843077 DAOONXAZFFQUBO-PNJWGLBASA-N 442.600 4.657 30 10 IJEE C#CCC1(NC(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 1472002298 UQWHDLSXLHXRNL-UHFFFAOYSA-N 430.548 4.758 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CCCCCN2C(=O)OC(C)(C)C)cc1OC 1472269521 PSBDYNCITBTKAH-XYELWLDHSA-N 444.572 4.569 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)Cc2noc3ccccc23)c1 1474780747 YZDZSJLBIOVYOE-UHFFFAOYSA-N 449.484 4.532 30 10 IJEE CSc1cccc([C@@H](NS(=O)(=O)c2cccc(C)c2C#N)c2cc(F)ccc2F)c1 1475034909 FMTQJWVUNDOJOM-JOCHJYFZSA-N 444.528 4.935 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccc(Cl)cc1 1477671822 UEKZFYXDHMOIAL-QFIPXVFZSA-N 428.923 4.912 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1478244971 CKFNHDZIVKFBRO-XZOQPEGZSA-N 439.600 4.820 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 1478964180 JJPKSEXAZOTZSB-UYAOXDASSA-N 425.495 4.547 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@H](C)CC#N)C1 1493689138 HGUZANVMHWSEMZ-LEWJYISDSA-N 447.631 4.530 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1507560312 GCERDGHHIPQDFL-TZIWHRDSSA-N 428.602 4.570 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccccn1 1507571282 WDXZINFAIGIPNF-UHFFFAOYSA-N 431.584 4.990 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN1CCCC[C@@H]1C 1507604958 OUHUJVMUGCESHC-IBGZPJMESA-N 448.640 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1507819009 ZWXHORULZURTMR-GOSISDBHSA-N 442.608 4.554 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1507887237 ATXWUXJIXHRZBU-NVQXNPDNSA-N 437.632 4.832 30 10 IJEE C=CCCCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1507938037 XKNZKBKHLVZUPF-UHFFFAOYSA-N 449.643 4.799 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1507941842 NMLIIDIDUNDURH-UHFFFAOYSA-N 447.631 4.885 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1507949282 DIFIJDBJPQQSPL-UHFFFAOYSA-N 444.023 4.839 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CC1CCN(CCC)CC1 1508009245 WUAKOWUKFCQBCS-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(NC(=O)CCC)cc2)C1 1508127478 XVUHKGLZARWNFP-QFIPXVFZSA-N 437.588 4.504 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)OC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1508168724 TULHPIGLVZYNJW-IBGZPJMESA-N 426.630 4.671 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1515902156 NIBMQGPQGNKTPA-MOPGFXCFSA-N 439.364 4.542 30 10 IJEE COC1(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CCC(C)CC1 1517937773 CZWAMIZDFGCZDJ-ISISGCMPSA-N 439.579 4.733 30 10 IJEE C=CCC[C@H](NC(=O)CCOc1cccc(I)c1)c1ccccc1 1520010622 FONXNNFGWMMXRZ-IBGZPJMESA-N 435.305 4.884 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 1524185429 IDMMANBHLVNZJM-UHFFFAOYSA-N 439.496 4.930 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(OCC)c(OCC)cc2Br)cc1 1526633089 XCHDLPVGTFZTMW-UHFFFAOYSA-N 432.314 4.901 30 10 IJEE C=CC(C)(C)CCNC(=O)c1c(I)ccc(Br)c1F 1529931157 XUGSQPDJDFHILV-UHFFFAOYSA-N 440.094 4.525 30 10 IJEE CO[C@@H](C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)c1ccccc1Br 1530580680 HKQOXXRKSRYHDZ-HXUWFJFHSA-N 438.281 4.834 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cccc(COc2ccccc2C#N)c1 1538950088 DPXVCMZWQZZAAF-GOSISDBHSA-N 437.540 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1c(C)noc1C 1538983898 YTPRYABCRWGTJF-PMPSAXMXSA-N 437.613 4.998 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C)=C(Br)C1 1539104110 CHQWBTPHDORXJW-UHFFFAOYSA-N 449.780 4.900 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(N(C)C)cc1 1539350811 ZOVLAXFCGREJEM-LJQANCHMSA-N 447.652 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCOCC(F)(F)C(F)F 1539549445 FSKIBIKJLTWGKP-LJQANCHMSA-N 444.860 4.508 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCC(F)(F)F 1539621556 AOTNAVIEIZPLRX-YLJYHZDGSA-N 445.489 4.863 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](COCC)C1 1539731138 YSMVGZZJQRETCT-OAQYLSRUSA-N 449.599 4.647 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1539764689 APAUZMUFCSJTOY-UHFFFAOYSA-N 433.522 4.724 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](C(C)C)C1 1539952270 AHYGJHAIPRQUDG-QGZVFWFLSA-N 438.439 4.970 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C 1540139509 HJADXSONKUWMOE-KRWDZBQOSA-N 433.622 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@](C)(O)C1CCCCC1 1540141715 DXUFTZZSKXCEQF-DEOSSOPVSA-N 439.629 4.869 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1CC1CC2(CCOCC2)C1 1540174266 KIQNZIFXMDAHGY-UHFFFAOYSA-N 436.600 4.859 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCSC)C1 1540885924 RJCCFAYPXBYAGD-GOSISDBHSA-N 432.659 4.810 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)C1 1541490854 GSEKBKGCJCFVAC-VXKWHMMOSA-N 437.588 4.560 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1541512336 HGSOXPSLRLBPOG-LJQANCHMSA-N 446.640 4.741 30 10 IJEE C=CCCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1544262607 ALAINKFJPKWAQR-QGZVFWFLSA-N 439.369 4.693 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)CC1 1544272899 DQZJMRMBRBCTIP-OAQYLSRUSA-N 446.599 4.945 30 10 IJEE COCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1555215327 FBJLHXZWWGWYKT-BXKMTCNYSA-N 441.645 4.934 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(C#N)C1 1557620466 WYHFTMJXMUWWAI-RPLLCQBOSA-N 443.547 4.622 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](c2ccccc2OC)c2nccn2C)cc1OC 1560258421 ITQGJSCKKZDCEP-OAQYLSRUSA-N 427.932 4.535 30 10 IJEE COc1cc(CCC(=O)N[C@H]2CCCc3cc(C#N)ccc32)ccc1OCC(F)(F)F 1584094679 HGGHHFSYSADCAY-IBGZPJMESA-N 432.442 4.634 30 10 IJEE C#C[C@H](NC(=O)c1c(C)nc(C(C)(C)C)nc1SC)c1ccc(Br)cc1 1584707818 GHEXFWJKTLKDTF-HNNXBMFYSA-N 432.387 4.671 30 10 IJEE C=CCN(C(=O)c1ccc(C(F)(F)F)c(OC)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1585014765 AKKJIYLOLPPTIW-IBGZPJMESA-N 435.442 4.517 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)CCCN1C(=O)OC(C)(C)C 1586853369 FOSKWWMELNQXJB-NIYFSFCBSA-N 449.551 4.844 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc(OC)c1OC 1586864131 XFQDMMKTYXYIFN-IBGZPJMESA-N 446.588 4.588 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(Cl)c1C 1587574970 OKTMQTBGMOVIGJ-ZDUSSCGKSA-N 446.780 4.514 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](COC)C1 1587723141 ANIYCOYYGKPMLU-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1593741358 NCCVGIBXUBWLKL-HSZRJFAPSA-N 440.588 4.505 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](COC)C1 1594529720 XQNNJPQLVQSDGJ-IBGZPJMESA-N 430.568 4.851 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H](C)C1 1595093552 FTGVBYSRZWLUMN-HXUWFJFHSA-N 444.583 4.643 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCCN1CCCCC1=O 1595133644 KBMQRQIPEKLWRP-UHFFFAOYSA-N 441.595 4.601 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 1596004445 QTIOAIMGMRXNDC-UHFFFAOYSA-N 426.450 4.649 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 1596205671 OFUHYJWYTCXIIR-MSOLQXFVSA-N 447.000 4.839 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cn(C)c2cc(Cl)ccc12 1616354967 MZPRTCRHHVVHIV-KRWDZBQOSA-N 440.371 4.526 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)c1ccccc1 1617945280 LDUBIGJPTFABFO-HXUWFJFHSA-N 436.581 4.582 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1618708378 SRAJHWMYCKMHDL-RDJZCZTQSA-N 437.590 4.700 30 10 IJEE CN(C)C1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)Cc2ccccc2C1 1623159659 GPUHARAVZOYWNY-UHFFFAOYSA-N 444.510 4.710 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Sc2ccccc2)c(C(=O)OCC)c1)C1CCOCC1 1623284064 VXEACJOQEXWVSA-NRFANRHFSA-N 438.549 4.564 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]32)ccc1Cl 1623301810 GAXURUHTKFNDRY-NBHGPNQESA-N 444.984 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 1624625077 WFLNTJDKOJYYRI-ZLIFDBKOSA-N 430.763 4.860 30 10 IJEE C=CCCC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 1625197036 MSJLNGVTODWTSJ-RTWAWAEBSA-N 439.943 4.759 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(OC)c1OC 1627849893 HEHWVVWVDZBOGQ-UHFFFAOYSA-N 427.504 4.906 30 10 IJEE C=C[C@H](C(=O)Nc1ccc(Br)c(I)c1)c1ccccc1 1627884600 LBELREKMIOTBEJ-ZDUSSCGKSA-N 442.094 4.962 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1628844369 LFMRMGXDCFFXLR-RBBKRZOGSA-N 439.650 4.767 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)n[nH]2)c1C 1630334255 YZFDMPDQTXGLIU-UHFFFAOYSA-N 432.572 4.560 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2-c2ncc3n2CCCC3)CN(C(=O)OC(C)(C)C)C1 1634237300 NUUQIYXDJDBBER-UHFFFAOYSA-N 436.556 4.638 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 1635787532 JSZXSXLNICJAJG-HSZRJFAPSA-N 435.568 4.878 30 10 IJEE C#CCN(c1nccc(Oc2ccccc2)n1)[C@@H]1CCOc2ccc(Br)cc21 1651530806 NQAHOPIIHPXOHX-LJQANCHMSA-N 436.309 4.995 30 10 IJEE COC(=O)c1cccc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)c1C#N 1652531007 HPGRQAZQNZKZND-UHFFFAOYSA-N 446.557 4.870 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1652925287 AYVAPVATMYRCJH-IBGZPJMESA-N 449.661 4.620 30 10 IJEE C#CCCS(=O)(=O)N(C)[C@@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)C1=O 1655535184 AGHARLUDIVUKDS-DCCWQCMWSA-N 441.980 4.657 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 1662124292 RZIVHPBUKCEBDQ-UHFFFAOYSA-N 436.401 4.776 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2c[nH]c3ccc(F)cc23)cc1OC 1662319177 MNGHIPMRCYXQFZ-UHFFFAOYSA-N 433.321 4.975 30 10 IJEE CC(C)(C)[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)c2ccccc21 1663085755 DIKJTWYTWXGUBW-AWEZNQCLSA-N 437.334 4.798 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 1668205479 QZQSLNSGZIBWCT-FQEVSTJZSA-N 437.931 4.891 30 10 IJEE O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N1CCc2c(F)ccc(F)c2C1 1669041270 DNQXCCFCHMYBSV-INIZCTEOSA-N 436.327 4.938 30 10 IJEE C#CCN(C(=O)Nc1ccnn1CCC(C)C)[C@@H]1CCOc2ccc(Br)cc21 1669169298 ZBRKVGUHGYDZKG-GOSISDBHSA-N 445.361 4.683 30 10 IJEE COCCN(C(=O)Nc1cc(OC)c(C#N)cc1F)[C@H](C)c1cccc(C(F)(F)F)c1 1673761886 FYYSXDUQZGOOQD-CYBMUJFWSA-N 439.409 4.966 30 10 IJEE C#CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@@H]1CCCc2ccccc21 1676432509 JSERDHKDCPQJFI-HXUWFJFHSA-N 441.325 4.780 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(Br)ccc1OC(F)F)c1ccc(Cl)cc1 1678017225 MVLMAPOAXICGKX-HNNXBMFYSA-N 443.675 4.878 30 10 IJEE C#C[C@H](NC(=O)Nc1c(F)ccc(Br)c1F)c1ccc(Br)cc1 1680853830 IHXKWYBIRWFMGN-ZDUSSCGKSA-N 444.073 4.986 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1c(F)c(F)c(Br)c(F)c1F 1682192461 SUQNMQVGTOIPFT-UHFFFAOYSA-N 445.254 4.946 30 10 IJEE COc1cc(OC)cc(Oc2cccc(CNC(=O)NCc3cc(C#N)ccc3F)c2)c1 1682232801 AJXHDDNFTFKSQP-UHFFFAOYSA-N 435.455 4.506 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1683131758 WNDBBNJXSVYTPG-SFHVURJKSA-N 449.320 4.560 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1)c1ccc(Cl)cc1F 1683688759 HDDKMVBJUKHERV-HSZRJFAPSA-N 427.951 4.707 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Br)cc1F)c1ccc(Br)cc1 1686922012 XVOIXEKVDIMRQU-MRXNPFEDSA-N 440.110 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccc1OC 1689835338 KQDXMXQECBVTLF-SFHVURJKSA-N 434.609 4.985 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1689894893 BCPGVXVYXZVRBC-SFHVURJKSA-N 434.481 4.822 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(Cc1cccs1)C1CC1 1690177274 PKAQMTGAHNKSAR-UHFFFAOYSA-N 426.586 4.605 30 10 IJEE C#CCSCCn1c(N2CCC(c3nc4ccccc4s3)CC2)nnc1C(C)(C)C 1690185758 GHRUYZAEIYZTQJ-UHFFFAOYSA-N 439.654 4.936 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1nc(C)c(C)s1 1690258337 CMZDTRLCYKDGMB-UHFFFAOYSA-N 441.601 4.681 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccc(Br)s1 1690280470 QQIYTGRODCKRNH-UHFFFAOYSA-N 447.358 4.710 30 10 IJEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1690315479 BNKZCXPOAWTSEP-IBGZPJMESA-N 431.540 4.800 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1690331096 QCZILTBECCWWJT-VBNZEHGJSA-N 438.801 4.814 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1690452068 WBWKYYNUUZQYFV-UNMCSNQZSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCCCC2)CC1 1690467655 DQGHUBXQHSIWRX-UHFFFAOYSA-N 437.632 4.977 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1690534803 MCUIWDPUVCMEDD-SFTDATJTSA-N 427.662 4.869 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1Cc1c(C)sc(C)c1Br)C1CC1 1690542067 AFKKWIYBXVLSJD-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 1690573803 DWQLVGTWJHUTBE-IBGZPJMESA-N 439.541 4.677 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CCc1nc(C(F)(F)F)cs1 1690579596 OWHZWHJMEGSXBC-UHFFFAOYSA-N 427.521 4.813 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=C)Cl)C1 1690714788 VBKOZDLRLKACER-MRXNPFEDSA-N 425.385 4.758 30 10 IJEE C=CCSCCn1c(COCC)nnc1N1CCC[C@H]1c1nc2ccccc2s1 1690750124 ANYCCHVQZXHIAF-KRWDZBQOSA-N 429.615 4.685 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCSC1 1692836095 DSVCWODIBQRCPJ-IUKKYPGJSA-N 443.592 4.830 30 10 IJEE CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1694410171 FEJWWRFKDKNCPG-HXUWFJFHSA-N 436.387 4.933 30 10 IJEE CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)N(CC)CC 1694868988 CDFRZYGLYZDELI-FCHUYYIVSA-N 432.572 4.872 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H]2OC)C1 1696536988 DHCRTTDZXGWWNG-MBDNFAEBSA-N 439.629 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC(C)CC1 1705668217 HEAZDMONEQAMKF-YIXXDRMTSA-N 449.643 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC1(CCOCC)CCCC1 1705670805 JVKHIJQIHIMXRN-HSZRJFAPSA-N 442.007 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCCn1cccn1 1705677472 PUOMNHSHBULGDH-AREMUKBSSA-N 446.599 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705698209 QXIBVKMESOMGIH-ISQZKQDNSA-N 438.616 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1705714875 KASDRNWFCVBYTR-GOSISDBHSA-N 436.457 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H]1CCOC1 1705789079 YFWJZCIVHOULEW-KRWDZBQOSA-N 433.394 4.843 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705801183 WQBROQYKLQXMFN-UHFFFAOYSA-N 439.604 4.921 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1705818207 CPGSVRGRIHQPND-LJQANCHMSA-N 434.588 4.684 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(CC)C1 1705864975 DBQIOEKGKZFKTK-IBGZPJMESA-N 437.613 4.550 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1705867901 XSWXTNURTVPDBW-FUPPJEDESA-N 439.673 4.974 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccsc1Br 1722275671 CYMWKBBWTNSHEE-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722311305 UVMSCIOYJHIEFE-FQEVSTJZSA-N 435.597 4.906 30 10 IJEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@H](F)c1ccc(Br)cc1 1722385163 BVCXSRXFSTXABQ-FQEVSTJZSA-N 443.364 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCc1cccc(C)n1 1722474809 LAXSZSPFDXBPNQ-RUZDIDTESA-N 431.609 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)=C(C)C1 1722500594 CIJYYHHXGNCXCE-DHLKQENFSA-N 436.600 4.600 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1722590393 DDZDOSUFFDEGMH-HKBQPEDESA-N 437.613 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1scnc1C 1722590816 IGYATQMSJBFEHN-UHFFFAOYSA-N 449.584 4.598 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1csc([C@H](C)OC)n1 1722635171 UZSXZQFMNWWPNJ-CABCVRRESA-N 447.992 4.906 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCc1csc(C(C)(C)C)n1 1722647273 FTZPHVKMZPXQTK-UHFFFAOYSA-N 434.613 4.900 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H](C(C)C)N1CCCC1 1722656956 MHKZVJBSPMMXIH-XMMPIXPASA-N 432.616 4.730 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1csc(C)c1 1722689857 IELXXNUHIGTQOQ-KDURUIRLSA-N 443.617 4.645 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CC)CCC2)C1 1722713254 CJIRCIOMRJFRSK-LJQANCHMSA-N 432.515 4.908 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccsc1)N(C)C 1727113842 DIDFOVUXLKQVKC-GOTSBHOMSA-N 448.640 4.924 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1740577135 SUYIKMJOELPTSF-UHFFFAOYSA-N 443.636 4.555 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740799206 HWJIEHXCSIPMDL-GXRSIYKFSA-N 430.637 4.806 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1740849556 NDZMTWYPOPXNOP-QHCPKHFHSA-N 430.600 4.947 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(F)cc1Br 1740853218 ZLAUNZBJGNNWFD-UHFFFAOYSA-N 433.329 4.926 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)CC[C@@H]1C 1740883190 LYMNCQRHPRJOSK-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)c1nccs1 1740916833 YPFBFZWUYRXWRF-WIYYLYMNSA-N 448.596 4.844 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1)C(C)C 1740926947 NPLQIVSDNSNAFM-FGZHOGPDSA-N 445.696 4.817 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1Cc1nc(C(C)C)cs1 1740938340 DPYNDQOJUNFQFQ-UHFFFAOYSA-N 448.596 4.760 30 10 IJEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](C(C)C)C1 1749091748 GCGVSRRJZIYWRH-QGZVFWFLSA-N 426.362 4.884 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1c[nH]c2ccccc12 1749102531 NJUFKERYPUGPFM-MRXNPFEDSA-N 444.377 4.589 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(N(C)C)CCSC1 1749144219 UCMPVRFVDNFHLD-XMMPIXPASA-N 439.673 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(SC)CCOCC1 1749161633 CFQUCPIUTZAOHX-UHFFFAOYSA-N 435.037 4.837 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCCOCc2ccc(OC)cc2)CC1 1749343277 ZDKKWPZDKBRWCW-UHFFFAOYSA-N 426.605 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749366426 FROLGTRAKSRLDE-UHFFFAOYSA-N 435.616 4.562 30 10 IJEE COCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H](C)CC#N)CCCCC1 1749406252 DLUUSEPQHCLCER-QGZVFWFLSA-N 447.530 4.882 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1C[C@H]1CCC2(C1)OCCO2 1749528608 WJFSDNSWZTVPSN-FPOVZHCZSA-N 440.588 4.536 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C)c1)C1CC1 1749528670 XOZSMGVZQKDOBN-BGYRXZFFSA-N 437.588 4.560 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@@H]1C 1749586110 MCFXUWZFBJIMTE-HOTGVXAUSA-N 444.377 4.530 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1749745666 DAPFLVKLZZNGOE-BULFRSBZSA-N 442.629 4.896 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCC1(F)F 1750060372 GVBYRTRXALLEDU-IKGGRYGDSA-N 435.494 4.979 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](C)OC(C)(C)C1 1760132308 HDFBNMVXMSNBJV-MSOLQXFVSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCc2ccc(Br)cc2C1 1760132535 OINQRWJANIEIJX-UHFFFAOYSA-N 439.357 4.975 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1760133954 VMKFQOQCMUVPKZ-OALUTQOASA-N 442.629 4.876 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)s1 1760222560 PFBUKQSSCOOUFK-UYAOXDASSA-N 445.032 4.617 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CC=CCC1 1760278310 QLAYWWUMHPYANO-KRWDZBQOSA-N 445.430 4.867 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCCOC1CCCCC1 1760297104 HGWSHAFXEZFTSD-AREMUKBSSA-N 436.600 4.631 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760303208 GQEVXILZDLNGMN-HOTGVXAUSA-N 433.394 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1760313071 IMLXXUNIMSSURY-VIZSFHNOSA-N 440.563 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@H](C)C1 1760330883 FTUXVIRUFUCIQK-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 1760471418 VFSZASMYFGRHPZ-BLIXFSHQSA-N 442.526 4.767 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC(F)(F)Br 1760500988 DMXKNNUXYCCAHM-UHFFFAOYSA-N 431.325 4.683 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(F)(F)CC1 1760563010 CZEYNYNACLECRR-UHFFFAOYSA-N 438.544 4.507 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](COC)C2)s1 1762625821 HKEZVBRIPSBCJF-IBGZPJMESA-N 435.597 4.742 30 10 IJEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1 1767214491 AKCYVSHGYJBFRJ-NRFANRHFSA-N 425.602 4.641 30 10 IJEE COC(=O)c1ccc(N(c2ncc3c(c2C#N)CCCC3)C2CCCCC2)c([N+](=O)[O-])c1 1859864941 NMJMPTIBZPELQI-UHFFFAOYSA-N 434.496 4.998 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)Cc3c(F)cccc3F)c2)c1 1860460341 GKTALUZDKFBIGI-UHFFFAOYSA-N 425.822 4.923 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862411346 FLDXLTNSKMDUCC-NRFANRHFSA-N 439.389 4.588 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)cc1 1862431712 NAJXDQGWJKYJOL-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478770 QISGNIONNFNQCB-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)cc1OCC 1862510739 DJESNDPLHHRUEP-QFIPXVFZSA-N 441.499 4.918 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862521198 BQUMNLQQHVDMFB-DEOSSOPVSA-N 446.547 4.599 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862554535 FJNVHJUIJPJQKV-XMMPIXPASA-N 426.516 4.973 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(F)cc2)c1 1862555459 FCUBOIXRGSPPSC-TVQFERKRSA-N 446.522 4.955 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC)c(OC)c1 1862586440 STVYYMSPYINGFZ-IBGZPJMESA-N 448.302 4.775 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2)cc1 1862590248 FCTOEQBGTCHVRN-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862593986 NVEHHDIMJMEOSV-OYHNWAKOSA-N 444.443 4.640 30 10 IJEE CCCOc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862925867 JRYHFYZKRKIDKU-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863337069 WOOGRIHUQTZVDP-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2cc(Cl)ccc2Cl)C1=O 1863394360 YHQCWKZIFIGQQF-UHFFFAOYSA-N 427.209 4.789 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC(C)C)cn1CCCCCCCC 1870423634 GCPNNVNWNKCZMB-UHFFFAOYSA-N 446.632 4.961 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O3)CN(CCN(C)C)CO2 1871346774 WMDWDRXQSYITQJ-GRSHGNNSSA-N 433.335 4.632 30 10 IJEE O=C1/C(=C/c2ccccn2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 1871395579 WYKZLWUHFGGKLD-UQQQWYQISA-N 426.516 4.858 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)C(=O)Nc1ccc(F)cc1 1871400907 OIZYMXUZJZIFHP-HJRTWQQASA-N 447.418 4.577 30 10 IJEE Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc2c1C(=O)/C(=C/c1ccco1)O2 1871434714 UGCCGACIFDKAEC-ZBKNUEDVSA-N 435.388 4.558 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)/C(=C/c1ccccc1Cl)O2 1871442749 SAODNUXOQHVUJS-MFOYZWKCSA-N 426.881 4.739 30 10 IJEE O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(OCCN3CCCCC3)ccc21 1871451402 SYBWRAOPPWFROG-STZFKDTASA-N 428.326 4.930 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccccc2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871640457 AHYQXPXSQMTFAN-UHFFFAOYSA-N 442.611 4.590 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(OCC)cc1 1872534516 WEDHJSQMQLVSTM-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2[N+](=O)[O-])=C(c2cccc3ccccc23)C1=O 1873183413 MBNDLUAPRXMDDT-UHFFFAOYSA-N 433.851 4.779 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C)cc(C)c2)cc2c(NCCCCN3CCCC3)ncnc21 1873634051 CCJJQKQFCSIBFW-UHFFFAOYSA-N 446.599 4.774 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nccc(-c2ccc(Br)s2)n1 1873680183 QQHALYSQAJHWKG-UHFFFAOYSA-N 446.326 4.550 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1/N=C/c1cccnc1 1874314365 PJZHBWGQNULRGO-JVWAILMASA-N 447.539 4.781 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)cc1 1874348813 DZVUFIKCOGZEEQ-PCLIKHOPSA-N 431.565 4.699 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccco2)c1 1874394326 JUCHTBOEFIFWCG-BFTFCADCSA-N 445.548 4.944 30 10 IJEE CCCc1nnc(SCCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874507960 FJVMSBWOIJVARX-HYARGMPZSA-N 445.386 4.916 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(S)nnc1CCCOc1ccc(C)cc1 1874566606 FNSUFAPHVSBQEE-PCLIKHOPSA-N 432.549 4.931 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 1875100914 KMZSRJGQIQNMKP-MDZDMXLPSA-N 448.431 4.512 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)C(F)(F)F 1875117280 MPDKSTLARIWEKK-FARCUNLSSA-N 429.734 4.621 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(Br)c(OC(=O)C2CC2)c(OC)c1 1875119324 OKMWBJRQOITBNA-JXMROGBWSA-N 431.282 4.678 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 1875135839 KCJUYLDKVBFOKA-UUILKARUSA-N 432.388 4.927 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)[C@@H]1CCCO1 1875193688 VRHHIBABGVHFHX-JLXBBBJOSA-N 430.884 4.728 30 10 IJEE Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N2CC=C(c3cncc(C#N)c3)CC2)cc1 1890773100 CXWNMQUJDBNGFP-UHFFFAOYSA-N 447.542 4.743 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@H]1c1ccc(C#N)cc1 1890994738 HYWKFRRZMQFPTM-UXHICEINSA-N 448.375 4.897 30 10 IJEE N#Cc1ncccc1OC1CN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)C1 1891549393 GSPQPQRVVVIGLJ-UHFFFAOYSA-N 439.393 4.668 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(C3CCC3)cc2)[C@@H]1c1ccc(C#N)cc1 1892140414 WGEPHGGNCDREPZ-ZEQRLZLVSA-N 433.577 4.858 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(C#N)c1 1901534588 KWNXPSRLPAKGBH-DEOSSOPVSA-N 443.478 4.953 30 10 IJEE C=C(COC(C)C)[C@@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947485765 URKCPHSSJZTFGJ-DHIUTWEWSA-N 434.621 4.836 30 10 IJEE CCCN[C@@H](CC#C[Si](C)(C)C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2014167705 BJZPWIHRVAJYJS-XZOQPEGZSA-N 445.724 4.651 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(O)[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 2037991497 XYUHBPWEQUDODR-DPZBCOQUSA-N 436.640 4.647 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2057574608 XNVZTSURPKFCPN-YLNUKYHNSA-N 443.544 4.728 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079935443 OPCKXABVBDEPSA-HNNXBMFYSA-N 443.235 4.613 30 10 IJEE CC(=O)Oc1ccc([C@H](n2nc(C3CC3)c(C=NO)c2Br)C2(C)CC2)cc1 2080070315 CGAOOKKDNKGADQ-SFHVURJKSA-N 432.318 4.646 30 10 IJEE C=C1C[C@H]2CC(NC[C@H]3CN(C(=O)OC(C)(C)C)CCN3Cc3ccccc3)C[C@@H](C1)C2 2084737511 LTXBELJHBBRGKE-NPZNXQLHSA-N 439.644 4.832 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNc2cc(Br)cc(F)c2C#N)C1 2107449918 MQIIDAOQHZTFHZ-SFHVURJKSA-N 430.293 4.611 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cc(C)cc1Br 2116828380 IQOMQHWHPYZFNE-SJLPKXTDSA-N 427.358 4.854 30 10 IJEE C[C@H](CCCN(C)C(=O)OC(C)(C)C)N(C)c1cc(Br)c(C#N)cc1F 2118207505 LFUBVMKOIKNJSS-CYBMUJFWSA-N 428.346 4.932 30 10 IJEE N#Cc1c(Br)cccc1N[C@@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2156312372 IEDGMOSQPLXJBO-SFHVURJKSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(C#N)c(Br)c2)cc1 2162419854 NEOATIORDTWEGT-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2163701228 ZORYYARCIJETNS-MSOLQXFVSA-N 428.349 4.808 30 10 IJEE CN(C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 2181045359 GHLCXKTTZNGOAV-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(Br)cc2C#N)CC1(C)C 2181112241 MJUVEXXIPITEDU-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE CN[C@H](C#Cc1cccc(Cl)c1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2216909753 POHVCGQCMDENPF-CDNPAEQRSA-N 442.987 4.778 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1CCC 2224264034 YBJKPSRJNWAHRS-WMLDXEAASA-N 429.403 4.566 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2235729971 OCIZYVLIWNXKNP-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2235735091 YQTVCGIWOINYCT-YTQUADARSA-N 435.406 4.672 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2267460296 ISLLGKFBARPDCJ-OAQYLSRUSA-N 440.437 4.810 30 10 IJEE CC1(C)OB(C2CC(C(=O)N[C@@H]3CN(Cc4ccccc4)C4(CCCC4)C3)C2)OC1(C)C 2267575547 FHBYKYFHHPAABT-HRTMPFAESA-N 438.421 4.562 30 10 IJEE CC(C)(C)OC(=O)NCc1nc(CNc2cc(Br)cc(F)c2C#N)cs1 2271179287 OUGXWRDZGZMBEU-UHFFFAOYSA-N 441.326 4.553 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(Nc3cc(Br)c(C#N)cc3F)C2)C1 2280144235 UFXHTWPZYCDVMK-OPFPJEHXSA-N 438.341 4.907 30 10 IJEE C=C([C@@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1)C(F)(F)F 2281278782 FLVXKUYQOXTTCU-KOLCDFICSA-N 437.119 4.577 30 10 IJEE C=CCOc1ccc(C=C2SC(=Nc3ccccc3)N(CCOC)C2=O)cc1OCC 2293571058 JEIZWNHOFIUQGD-UHFFFAOYSA-N 438.549 4.901 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@]2(C(=O)C#Cc2cccc(Br)c2)C1 2296221114 FRRBWUMMTQMQQP-VGSWGCGISA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)C#Cc2ccc(Br)cc2)C12CCCC2 2296230211 RBCLCAIFLODWBS-GOSISDBHSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296266806 MHKBOGSDOAGOMC-RTBURBONSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296290900 IRPWTFSVZLCEIC-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2306619058 YVHKCUHIRBCXOX-NBGIEHNGSA-N 430.589 4.993 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2313436111 NSDHUNXTGXNFBK-BPYKYCOYSA-N 447.572 4.703 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)cc1OC 2318574290 JMABBZIADQXXJC-UHFFFAOYSA-N 440.569 4.739 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])NC1CCCCC1 2323721470 YVZSGMDQEYKNGI-UHFFFAOYSA-N 444.434 4.597 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)NCc2cccc(C(F)(F)F)c2)cc1OCC 2325716932 HQDUSYFAIJKPNE-UHFFFAOYSA-N 435.442 4.792 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)cc1 2325731541 ANUSAOZRATVGPG-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(O)cc1O 2325831137 PEDPQPXUTBDHNX-UHFFFAOYSA-N 440.569 4.603 30 10 IJEE CCCOc1c(C=Nn2c(COc3ccc(Cl)cc3)nnc2SC)cccc1OC 2327506858 LGDLPHPEKNQJHO-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)c1 2331081267 SHOKWXPHYGZYGE-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(O)cc1 2331320431 MNTNKHKOFTYCAX-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2331443833 BMMXZZMSMCZNDM-UHFFFAOYSA-N 425.514 4.568 30 10 IJEE COc1cccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccc(F)cc3)cc2OC)c1 2331519391 QWFZULHSHVMVPC-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CC1 2331733077 NNHOXGHEMKWGPZ-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE C[C@@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339582807 SHBZPGZWHBFQEV-IEBWSBKVSA-N 444.381 4.751 30 10 IJEE Cc1cc(Br)c(F)cc1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364848457 HOAJLHUXNCDOFK-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)cc1 2364933515 RMBJVZQJCBCPRI-UHFFFAOYSA-N 449.360 4.626 30 10 IJEE CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Br)cc2)c1=O 8398014 PBEBYTWSVFEKNL-BJMVGYQFSA-N 437.131 4.900 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)S/C1=N/CCCCCCC(=O)OC 13175142 ABZLJDPAEHRVLR-LNZAWAQUSA-N 447.626 4.863 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccccc2C)N2CCc3ccccc3C2)n1 14159995 YPKWSSAXYXPYGK-UHFFFAOYSA-N 430.581 4.625 30 10 IJEE O=C(/C(=N\Nc1ccc(Cl)cc1)c1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1 15188176 AYWSTXDLWSKKTE-USHMODERSA-N 437.286 4.929 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc1 20833579 HXTYSNTZGZIQAZ-QKIXXSFTSA-N 438.557 4.591 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Br)c2)cc1 20884973 JDBVQRHOVYKUNC-APWZRJJASA-N 440.337 4.852 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(Cl)cc3)n2)c(C)c1 21077971 UXWIITOEBVAARK-WSDLNYQXSA-N 428.949 4.642 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(OC)c2OC)cc1 21660444 FDZDZKXLGGKUBH-WAIKUNEKSA-N 446.503 4.967 30 10 IJEE Cc1nnc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)s1 39866571 RQIJFSKPFNPSGQ-KQHCDTJNSA-N 428.539 4.512 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(OC)c1 40098309 RYQHAIJQQAXGON-NRFANRHFSA-N 435.476 4.828 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c[nH]c4ccccc34)n2)cc1 59006403 KDPVWKLQUSVWAL-SQAVSUBZSA-N 447.568 4.976 30 10 IJEE O=C1/C(=N/N(Cc2ccccc2)c2ccccc2)c2ccccc2N1CCN1CCCCC1 59157693 FCQOCDKSEZMPBU-ORIPQNMZSA-N 438.575 4.930 30 10 IJEE CC(C)n1ncc2c(C(=O)N[C@@H](C#N)c3ccc(F)cc3F)cc(-c3ccccc3)nc21 111029345 HIMZMMJHKLZUOH-QFIPXVFZSA-N 431.446 4.952 30 10 IJEE CCCCCCCOc1ccccc1/C=N/Nc1nnc(-c2ccc(OC)cc2)c(=O)[nH]1 169898997 DIOQUSNZJMBXRF-KOEQRZSOSA-N 435.528 4.636 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 169983323 CQWWJHMSRHKDGJ-OAQYLSRUSA-N 433.485 4.822 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccs2)cc1 169988725 RCIISWMKQFKPHV-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccccn2)cc1 169991929 FLOKJXJXMKDRGO-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)c1 170144900 TWLGJFUAHGQXDD-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccccn2)c1 170170806 HPGCEHQXELBPMT-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 170208812 VQJLNRIZFOFMKA-HSZRJFAPSA-N 441.531 4.861 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)o1 170306651 POFKDVJGXXLYKD-FZKQIMNGSA-N 436.291 4.652 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(O)c(Cl)c2)c1 170367422 WFPLGXHXGGDEFW-OAQYLSRUSA-N 434.879 4.840 30 10 IJEE COc1ccc(N=C2S/C(=C\c3ccc(OC)c(OC)c3)C(=O)N2CC(C)C)cc1 252588608 ACXWKVCECXLKFW-RSWGBMCDSA-N 426.538 4.972 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2 253567398 JZPIPCHGBPNOHA-SELVFMLMSA-N 436.625 4.901 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cc1 441474994 HPGVPYPCBADVGT-UHFFFAOYSA-N 428.414 4.684 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)o1 442164631 WCGNYLBNATWXON-JXFKEZNVSA-N 444.491 4.585 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCO1 461164762 RJVVBLOOQAKBHD-OAQYLSRUSA-N 429.524 4.500 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 464107878 BCDSOGOGOZWZMX-RUZDIDTESA-N 443.551 4.509 30 10 IJEE CC1(C#N)CCN(C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)CC1 509407687 RHYYNKWJFIRMRF-LJQANCHMSA-N 431.305 4.861 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 525594045 DPCMOPGXDLOABG-MRXNPFEDSA-N 434.467 4.868 30 10 IJEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OCC2CCCC2)CC1 555266872 IOXHQRBPBSCCCX-UHFFFAOYSA-N 446.599 4.883 30 10 IJEE CCc1ccc(S(=O)(=O)N(CCc2ccc(OC)cc2)Cc2ccc(C#N)cc2)cc1 586130646 HFYUDBMUPOOKLR-UHFFFAOYSA-N 434.561 4.563 30 10 IJEE CCCCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1[C@H](CC)N(C)C 596224249 DKVXELRSPHWWTK-ZVLZEYJHSA-N 448.681 4.502 30 10 IJEE CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1=O 609068019 FSKWYTJONAPYQS-GDBMZVCRSA-N 427.451 4.665 30 10 IJEE COc1ccc(N=C2S[C@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2C)cc1Cl 725401937 HZNPMPCGUOOWKE-SFHVURJKSA-N 431.945 4.556 30 10 IJEE Cc1ccc(F)c(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(Cl)c2)c1 762440247 LVXVTOINALYVNP-UHFFFAOYSA-O 440.907 4.976 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1=S 765031440 BMGGPJMPSDHDNW-MAUKXSAKSA-N 430.574 4.887 30 10 IJEE N#CCc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)cc1 771666252 LEKAMOANULNNOW-QHCPKHFHSA-N 436.458 4.730 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)ccc1OC 779914925 YYLHDBQZLUPYSY-HNNXBMFYSA-N 443.475 4.708 30 10 IJEE N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1ccc(F)cc1F 786560779 CPDWRMFOPXXNEV-CRNMQVKPSA-N 442.771 4.589 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1cccs1 1083892462 GDSQJGVQTPGXCZ-UHFFFAOYSA-N 441.369 4.740 30 10 IJEE C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 1124841122 FAUURPUUMHVPCQ-CYBMUJFWSA-N 432.833 4.966 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3ccccc3n2-c2ccccc2OC)c(OC)c1 1126290978 VHZHXBBMXBZCMD-UHFFFAOYSA-N 443.503 4.789 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)c1ccccc1 1127932320 KNYODNPMGVLOAS-JOCHJYFZSA-N 438.568 4.501 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)nnc1-c1ccc(Cl)cc1Cl 1129745087 USTPGRIHJMSXKA-PVUWLOKVSA-N 437.396 4.835 30 10 IJEE C#C[C@@H](NC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1141799312 IDLNZEPENUFEQG-HXUWFJFHSA-N 441.959 4.818 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 1144004099 RQDBCQDUIPKEGF-KBPBESRZSA-N 432.735 4.710 30 10 IJEE C#CCN(C(=O)c1cc(F)c(O)c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1146862424 SRIJYOIZJOGCFX-MRXNPFEDSA-N 438.680 4.546 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)OC 1177958283 DQOLARMCQMXLIX-WOJBJXKFSA-N 446.341 4.583 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cc1OC 1200830093 IMLTYLBBYCUADL-KUHUBIRLSA-N 430.932 4.874 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(Cl)cc1F 1211070181 VPPLBVAGSRLDQL-RTWAWAEBSA-N 434.342 4.943 30 10 IJEE N#Cc1cc(S(=O)(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)ccc1C(F)(F)F 1211538471 HEMMJRWSGGYDRH-UHFFFAOYSA-N 448.388 4.606 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCOCC1 1220684731 ZPUJLAAWHZWVIM-NFBKMPQASA-N 435.955 4.681 30 10 IJEE C#C[C@@H](NC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21)C(C)C 1251644850 BSQOTSCUQSMCTQ-HSZRJFAPSA-N 445.563 4.544 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 1264834176 RYOQZRRWLQTGBA-CQSZACIVSA-N 433.733 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC(C)CC1 1286279302 UNIOJXKEUZGYQV-XJUOHMSHSA-N 437.632 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CC[C@@H](OC)C(F)(F)F 1286519393 WTTYOWXAWQLFEM-NNMXDRDESA-N 434.506 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(OC(C)C)CC1 1286560870 JXKLMICCERGBJS-AVRDEDQJSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@@H](CN3CCCCCC3)C2)nnc1C(C)(C)C 1286565199 YTCJIOBVYRVVIC-VABKMULXSA-N 443.680 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)cs1 1286568486 ZSDONAJMWYMGRA-UWJYYQICSA-N 443.642 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCOC1 1286674499 FJRDLCGMTVXAPP-FQEVSTJZSA-N 426.605 4.982 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286691101 UJUSWLCPJCVXGR-OAQYLSRUSA-N 434.588 4.639 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](OC)[C@@H](C)CC 1286719316 FSERSDFAMSEWQC-GUYCJALGSA-N 425.346 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1C 1286746795 DOEDISUYZIQDCC-MSOLQXFVSA-N 436.585 4.616 30 10 IJEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@]1(C)CCCS1 1287199804 DMHSZFRCAQPCEJ-QHCPKHFHSA-N 425.602 4.607 30 10 IJEE C=C(Cl)C[C@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)OCC 1287777026 MFDSQPNVKNYEIJ-FQEVSTJZSA-N 436.335 4.652 30 10 IJEE C=CC[C@@]1(C(=O)NCCCOc2ccc(Cl)cc2C)CCCN1C(=O)OC(C)(C)C 1292087853 ZCMXPPJXHOKABB-QHCPKHFHSA-N 436.980 4.879 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1300363317 YALLGAYMIBLEGJ-NRFANRHFSA-N 444.526 4.919 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC1CCOCC1 1300521958 YDUADWYNLDGEHZ-UHFFFAOYSA-N 448.567 4.702 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)Cc1cccs1 1300602743 TWECJFUDSBRJQY-ROUUACIJSA-N 426.561 4.957 30 10 IJEE C=C(Br)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1300839681 NKLCRBZLSLTIRA-MRXNPFEDSA-N 428.378 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1N(C)CCCC1(C)C 1300920831 GECWPTBWLBSXMA-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1301138678 CCONHRHHZIZYSB-RDTXWAMCSA-N 448.409 4.642 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 1301188597 LFVLVGNSJWJRGE-LJQANCHMSA-N 447.624 4.569 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@H]2CCCO2)CC1 1301246843 XRWWLOKPULFEGY-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1)C1CC1 1301330488 ODKICKPGFYTLIF-HKUYNNGSSA-N 431.625 4.696 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)N(C)C1CC1 1301379587 PAYJITOVWWSGBG-OAHLLOKOSA-N 448.384 4.508 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(Cl)s2)C1 1301566552 QLPYFPOKVUIOPT-GOSISDBHSA-N 444.988 4.710 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(CC)cc2)nc2sc3c(c2c1=O)CCC3 1307259576 YJMHRDWIDGEGSV-CQSZACIVSA-N 439.606 4.814 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CCC2CCCCC2)cc1Br 1309309015 HWGHFIJSFKYMPG-KRWDZBQOSA-N 425.392 4.834 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1 1312789672 RGZDQOULRPSSMH-UHFFFAOYSA-N 434.367 4.882 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Cl)cc(Br)c1 1351080385 PBNNHDYSTUSCCI-UHFFFAOYSA-N 439.689 4.845 30 10 IJEE C=CCN(C(=O)[C@H]1CCOC2(CCCC2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1351450923 NIWQDBYCLLIIPH-KRWDZBQOSA-N 427.526 4.977 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@]1(c2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)C1 1351977308 ZAECACALCNBSDI-OGAOHHHESA-N 426.582 4.888 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)COc2cccc(Br)c2C#N)c1 1352428633 BXMYBSAZVHCLQD-UHFFFAOYSA-N 435.277 4.507 30 10 IJEE C=CC[C@@]1(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1355698095 IERXVHVSSYRHFL-NRFANRHFSA-N 442.478 4.546 30 10 IJEE C=CCCn1cc(C(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)nn1 1356004659 GIUWQFJRDHHFNP-UHFFFAOYSA-N 443.429 4.686 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc3c2CCCC3)c(C(=O)OCC)c1C 1357817605 PGGWFIJMFXPDCU-UHFFFAOYSA-N 427.522 4.707 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(CC)CC 1358871926 LZPPYUONQGUJPR-XUVXKRRUSA-N 446.039 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CCOCC)CC1 1358877785 KMGAMCADMMJBHT-QZTJIDSGSA-N 426.630 4.796 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCSC(C)(C)C1 1358906666 PDKDWWPERBMEAZ-UHFFFAOYSA-N 433.419 4.843 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1358920560 BMOXQHPUQPMNFE-JTHBVZDNSA-N 449.643 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC(F)(F)C1 1358970126 GHFGATVEZZEKTQ-OAQYLSRUSA-N 447.533 4.861 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1359076370 ACTFDEHTWZUHKM-HNNXBMFYSA-N 432.410 4.644 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccoc1 1359094080 WZDPRUBPTCSCRP-OXJNMPFZSA-N 430.911 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)[C@@H]1CC 1359094765 FSUWLRVLBZOQQG-IOGOZDDNSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)CC1CCC1 1359106237 ZGUYIQOCFMDVIQ-AUSIDOKSSA-N 442.629 4.797 30 10 IJEE C=C(C)Cn1c(N2CCC(C(=O)NCCCCC)CC2)nnc1C1(c2ccccc2)CCC1 1359125236 UTOYNLZPQGUJDN-UHFFFAOYSA-N 449.643 4.847 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1359127303 NJZANCDLCDDYEI-SJORKVTESA-N 448.409 4.645 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359168124 IRNATNCZIINJHG-NRFANRHFSA-N 444.023 4.787 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CN(C)C(C)C)CC1 1359199927 MPODUAHCSRWKDU-UHFFFAOYSA-N 439.604 4.587 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1359209505 PNGDNZKKLJCRSK-GOSISDBHSA-N 442.951 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1359262672 AUBYQGUHKKSZNX-JOCHJYFZSA-N 447.612 4.768 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1ccncc1Cl 1359275830 HWVGMJGHRDWZCD-UHFFFAOYSA-N 444.970 4.596 30 10 IJEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N[C@@H](C)[C@H](OC)c1ccccc1Cl 1359288561 LIHBDJSEEFPYJZ-AOMKIAJQSA-N 436.947 4.544 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCc2cccc(C)n2)C1 1359312886 CEQXHMACZBKRFF-BJKOFHAPSA-N 431.584 4.547 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C2CC2)C1 1359337807 AYAUSVHLWKDLES-KRWDZBQOSA-N 433.419 4.863 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1359338656 CPSNLRBDMWEUCG-JOCHJYFZSA-N 439.673 4.739 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CCCc2ccccc2)n1CCc1nc2c(s1)CCCC2 1360480632 DIMXAQJWEJJSSF-LJQANCHMSA-N 448.640 4.770 30 10 IJEE C#CCN(C(=O)[C@H](C)OCc1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1360557205 QEPKQRKEONMCQD-LAUBAEHRSA-N 442.353 4.648 30 10 IJEE CC1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)C1 1360807976 FDLXTRRYIQYWDK-UHFFFAOYSA-N 439.507 4.608 30 10 IJEE COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1OC)CCO2 1361223243 IDOCAPNHFUCXAT-QHCPKHFHSA-N 428.488 4.742 30 10 IJEE C=C(CC)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1451450709 JYIZUBUIWWFZST-VWLOTQADSA-N 425.532 4.745 30 10 IJEE C=CC[C@@]1(C(=O)OCc2cccc(OC)c2OC(F)F)CCCN1C(=O)OC(C)(C)C 1456768024 DHQHINMNLQLMNT-QFIPXVFZSA-N 441.471 4.686 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1 1457863447 WZDAMYQIIRNRJK-ZDUSSCGKSA-N 428.069 4.768 30 10 IJEE C=CCn1c(SCC(=O)c2cnn(-c3ccccc3)c2)nnc1-c1cccc(Cl)c1 1459002882 SWFHUYUKJNCTNE-UHFFFAOYSA-N 435.940 4.945 30 10 IJEE C#CCC1(NCC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CCCCC1 1460827779 JLWHDMWSSCSRLK-OAQYLSRUSA-N 431.580 4.774 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1I 1461530505 IXIZZLPKARMGPV-SMDDNHRTSA-N 448.142 4.918 30 10 IJEE C=CCC[C@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)c1ccccc1 1463376333 SLRNSARLHFCIEO-CBZJRKILSA-N 432.489 4.575 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)cc1 1465398720 IXHCHWMWYYQKCT-SFHVURJKSA-N 429.442 4.727 30 10 IJEE Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)c1 1465431364 FLZMLQKQBHTNPS-UHFFFAOYSA-N 429.524 4.650 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)nn1 1470585052 ZZUHSNJBKFWZDZ-UHFFFAOYSA-N 447.873 4.530 30 10 IJEE N#Cc1ccsc1NC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 1473503125 FYYLVMUNQUQJSR-UHFFFAOYSA-N 430.455 4.674 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)c(F)cc1I)c1ccc(Cl)cc1 1476213098 PSRVTSZCHLMRMQ-AWEZNQCLSA-N 446.622 4.719 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2c(C)cccc12 1507545137 BQROBFGJXOEFPT-JMUQELJHSA-N 433.600 4.687 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCC1(C)C 1507668513 GRVGMPBTWYAMEN-SFHVURJKSA-N 439.401 4.997 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C1CC1 1507783206 CSSDFGMXLOQXAN-GOSISDBHSA-N 435.341 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(C)s1 1507794127 GNTBTJPVCRCXJS-GCJKJVERSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1507799463 ZALQFLNTQVABGI-UTKZUKDTSA-N 443.954 4.849 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccc(C)cc2)CC1 1507878389 WISSPUBTGABNGE-UHFFFAOYSA-N 442.361 4.580 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccsc2Br)CC1 1507901315 IUDGHOQVLZPCBG-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1507925342 FQBAHBMRBWBXQW-SPEDKVCISA-N 428.552 4.917 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCO[C@@H](C)C1 1507940724 AASGMSLNVHEHCD-KRWDZBQOSA-N 449.393 4.591 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1cn2ccccc2n1 1507986538 POKMTUAYBWNWJO-UHFFFAOYSA-N 438.988 4.736 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@](C)(CC)O1)C1CC1 1507991851 VQLCGSQWOHCFSB-OFVILXPXSA-N 437.588 4.650 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1OC 1508015092 JRILGEUKCAWYQY-PKOBYXMFSA-N 431.378 4.701 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(Br)cs1 1508153935 SCJCURBFAFASFU-UHFFFAOYSA-N 438.420 4.653 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1nc(C)cs1 1512923946 CCKDZOYMIANUNB-MRXNPFEDSA-N 436.585 4.524 30 10 IJEE C=CCOc1ccc(COC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 1514994587 RPLKSBPUXJQKHN-UHFFFAOYSA-N 447.516 4.928 30 10 IJEE C=C[C@H](CC)CC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 1519942888 RYWFKWPKCNYTPU-JLTOFOAXSA-N 433.321 4.987 30 10 IJEE C=CC[C@H](C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1521721074 ZCAUQHHAYFILAW-FPOVZHCZSA-N 441.369 4.729 30 10 IJEE C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1 1523261403 BKBISDDWSDIIJN-JLTOFOAXSA-N 434.433 4.982 30 10 IJEE Cc1c(Br)cccc1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1526840051 BEMBNNMQPINKSB-UHFFFAOYSA-N 425.282 4.731 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)C1 1529683202 AKVXKRYZQTZIMM-NKPLSRDGSA-N 444.575 4.750 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCCN1C(=O)OC(C)(C)C 1535497284 SWTCLLOZXMUNMD-QHCPKHFHSA-N 425.554 4.905 30 10 IJEE C#Cc1ccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)c(Cl)c1 1538774528 BXMDNKORHDKAOQ-XMMPIXPASA-N 440.927 4.635 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C[C@@H]1CCOC1)C1CC1 1539140004 QFNHLKNOZHVXDK-INIZCTEOSA-N 449.382 4.583 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1c(C)noc1C 1539343285 IVBZKNPDSSOQNQ-CRAIPNDOSA-N 441.963 4.940 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](Cc1ccccc1)OC 1539350681 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448.652 4.562 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1540029308 PMNZMQOCIVBXJT-AUSIDOKSSA-N 438.616 4.839 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(F)cccc1SC 1540051731 LWMGXKGGVPLGSW-UHFFFAOYSA-N 436.354 4.567 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CCCn1cc(Br)cn1 1540140102 QCGNADNGNOOQGL-UHFFFAOYSA-N 449.422 4.705 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC2(C)CC2)C1 1540885377 HMBPNPTXQGLFRD-SFHVURJKSA-N 445.405 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2(COC)CCC2)C1 1540887519 YIVFTLFEXKMJBY-SFHVURJKSA-N 448.970 4.726 30 10 IJEE C#Cc1ccc(CNC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)cc1 1544045941 SRKBUKAEYCIMBX-UHFFFAOYSA-N 448.185 4.737 30 10 IJEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1 1547683470 FYNNLKYRVWHGOJ-NRFANRHFSA-N 434.613 4.698 30 10 IJEE C=C(C)CNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1556277502 TUBIULRYCFZYAR-RUZDIDTESA-N 426.516 4.959 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2ccc(OC)cc2)C1 1556707551 APBQAYDSXFQSPO-UYAOXDASSA-N 436.980 4.512 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C3)C2)c1 1557670635 YGCFFPSETUMCIX-ROUUACIJSA-N 444.984 4.593 30 10 IJEE C=C(Cl)C[C@@H](Nc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-])C(=O)OCC 1559256587 NQWHDXTYIKDXKV-GOSISDBHSA-N 431.876 4.642 30 10 IJEE Cc1ccccc1NC(=O)Cc1nc(COc2cc(C#N)ccc2Br)cs1 1559451046 AYHNWTKXQILFCP-UHFFFAOYSA-N 442.338 4.846 30 10 IJEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccc(-c2ccccc2)c1 1561471304 VATZHESMVTWFSW-RUZDIDTESA-N 449.572 4.705 30 10 IJEE C#CCN(C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C)[C@@H]1CCCc2ccccc21 1562331808 AXGOVIXHPRJVAK-HSZRJFAPSA-N 439.581 4.691 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1Cc2ccc(O)cc2C2(CC2)C1 1562929263 NLZSAQWMTHWCDE-UHFFFAOYSA-N 429.314 4.799 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)c1ccc(Cl)cc1F 1565002542 LFYMTUXSQDYXRG-FHWLQOOXSA-N 441.717 4.760 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1565183730 ISOLJIFSYCRAEM-AZUAARDMSA-N 433.568 4.820 30 10 IJEE C#CCN(CC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1)C(=O)OC(C)(C)C 1566267661 GBCDACYJHIHCJT-QFIPXVFZSA-N 438.955 4.836 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)OCc2cn(CCc3ccccc3)nn2)cc1 1583192399 BSPDZKOOTGVNKJ-UHFFFAOYSA-N 442.450 4.681 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccccc1OCc1cn2ccccc2n1)c1ccccc1 1586027067 FUZGHCIGFHTPFY-WJOKGBTCSA-N 431.517 4.767 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(O)(CC)CC 1587562090 LAQYHYYVNFWNFR-QZTJIDSGSA-N 432.996 4.697 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1587817885 JZFONRLSEQZISG-SFHVURJKSA-N 438.373 4.518 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1OC 1588193701 JINQUWVSGHOGDI-UHFFFAOYSA-N 444.604 4.795 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cscc1C 1588289084 XAFODHIAVYMSHY-UHFFFAOYSA-N 432.549 4.995 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCSC1(C)C 1588549894 AUMSJNKOKCUUSX-OAQYLSRUSA-N 449.599 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccccc1C 1589544837 KGGBAIAXMQIGFP-NZQKXSOJSA-N 426.605 4.672 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCCCC1 1589569622 PQGKUROPTZXNFK-RCZVLFRGSA-N 449.599 4.726 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCC2(C)C)CC1 1594202772 UFCZWQBMPOOOAK-HXUWFJFHSA-N 442.629 4.577 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cnc(C)s1 1594559102 DXYMKGSYGCVILB-UHFFFAOYSA-N 425.558 4.670 30 10 IJEE C#CCN(C(=O)CSc1ccc(C(C)(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1596142124 PRRJCWJUCSDCJA-UHFFFAOYSA-N 444.641 4.938 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CCCO1 1606966229 GBPHZKJVUJLQRF-YOSAUDMPSA-N 431.625 4.532 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 1612233149 COEATYFFGXRWJB-ZRCGQRJVSA-N 439.604 4.745 30 10 IJEE C=C(C)Cn1c(SCc2cccc([N+](=O)[O-])c2Br)nnc1-c1ccncc1 1613604427 MCIPQMHXOUNQSJ-UHFFFAOYSA-N 446.330 4.879 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCc3cc(Br)cc(F)c3C2)cc1 1616676466 CJQWGXNQYZVBSK-MRXNPFEDSA-N 444.348 4.590 30 10 IJEE C#Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 1616908591 VTUMRLAGJPPXHF-UHFFFAOYSA-N 437.499 4.849 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1OC 1618111027 LPSGBLJVISLSTP-SWDTZWKESA-N 437.536 4.781 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 1622836403 ZHYQBCBJMQYXRP-RHSMWYFYSA-N 441.475 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 1627031240 GXZGOYNNJJHZMG-LIRRHRJNSA-N 435.307 4.871 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)NC3CCCCC3)cc21 1627746245 DIYQJOOZJVRIHD-OAQYLSRUSA-N 439.560 4.668 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1)c1ccc(Br)cc1 1628707049 GVZCGBNGPALLPI-DNVCBOLYSA-N 445.357 4.980 30 10 IJEE 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4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC(C)(C)c1ccccn1 1690575898 FLYVSGYFKKCOMH-UHFFFAOYSA-N 430.581 4.967 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690579635 PYGTXMQSQLZBLP-WIYYLYMNSA-N 432.634 4.910 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nccs1 1692346371 CJAGJSZWLAMVMI-UHFFFAOYSA-N 447.568 4.871 30 10 IJEE Cc1ccc(SCc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 1693161839 GRTUVMVRJTUYBK-NHCUHLMSSA-N 439.629 4.560 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 1705510719 XATDKWLEGUVSPX-NRFANRHFSA-N 447.549 4.698 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)c(C)c1 1705696300 MUDJMLSPFUXCOE-NFBKMPQASA-N 436.556 4.781 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1705736825 DOJRQOATDXZZJH-FQEVSTJZSA-N 432.996 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(COC)CC1 1705789350 IIULFLWMKDPSKQ-UHFFFAOYSA-N 434.588 4.596 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1705811070 PZWWULISWRHCJE-UHFFFAOYSA-N 425.577 4.507 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1708875618 DNTTZXFFMDTDIA-MSOLQXFVSA-N 429.540 4.502 30 10 IJEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)CCO1 1709551167 BHSVUSYFPOSHHC-VQTJNVASSA-N 429.515 4.648 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1CCC[C@@H](C)C1 1722403872 HWTLZQSONJRVKM-GOSISDBHSA-N 444.023 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1c(C)sc(C)c1Br 1722470307 QDFOPCFPEHBYFQ-HXUWFJFHSA-N 444.402 4.754 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722515612 VLFGBGZQNKVLMD-JOCHJYFZSA-N 446.020 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cccc(Br)n1 1722515764 XRWBXZXUHNHGKK-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCSC2)C1 1722521014 YLPSQQNVJXUCIU-QGZVFWFLSA-N 425.421 4.679 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1722526445 FOVUVOQIEIZPHK-QHCPKHFHSA-N 434.588 4.521 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1722579538 HVFGCMGNAZWWFD-INIZCTEOSA-N 435.380 4.994 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722600277 MCWYFXDFJWVBNY-GOSISDBHSA-N 427.980 4.546 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1722604756 KAGQKWAENKEOKL-OAQYLSRUSA-N 437.632 4.869 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(OCc2ccccc2F)CC1 1722617794 SIJWWVPNZSPGJF-UHFFFAOYSA-N 435.547 4.555 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCN1CC 1722634989 LCTCENRYNNWJTQ-SFHVURJKSA-N 432.410 4.513 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)c1ccc(F)cc1)C1CC1 1722654239 SKZKTUHPYFSFMD-YPAWHYETSA-N 442.579 4.878 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC1(C)C)C(C)C 1722665848 OQIIOTVPAMVEAR-HSZRJFAPSA-N 432.616 4.894 30 10 IJEE CCSc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1729256527 DTXANYHXYNWYLL-DEOSSOPVSA-N 432.597 4.554 30 10 IJEE COC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)CCC(C)CC1 1729942856 BBJWKURBNKPJAJ-BXFSZVDSSA-N 433.959 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC[C@@H]1OC 1740724398 BQFMNPQYWNTWLU-ZDWBCWQTSA-N 436.600 4.842 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1740761113 UJMVNVKRSYRFDR-USHXRURQSA-N 442.579 4.563 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1740829283 RBORCWLAARMCGI-MOPGFXCFSA-N 430.980 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](OCC(C)C)C1 1740844225 FWNFILWZJVMPSV-HXUWFJFHSA-N 427.549 4.707 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1cccs1)c1ccccc1 1740853732 IJOPSIPDJDZWQA-CTNGQTDRSA-N 435.597 4.677 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740871776 NSWKSGCIZSFREG-JPYJTQIMSA-N 440.588 4.711 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1cnc(C)s1 1740903547 ZGRQMOMTSSRPGK-UHFFFAOYSA-N 431.993 4.687 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1C[C@H](C)O[C@@H](C)C1)C1CC1 1740908015 HNJSUIILVXVMET-HOTGVXAUSA-N 432.515 4.905 30 10 IJEE C=CCSCCn1c(N(C)Cc2ccc(Br)s2)nnc1C(C)(C)C 1741005324 VWPGJHCNMPNFJF-UHFFFAOYSA-N 429.453 4.955 30 10 IJEE CCc1cnc(CCn2c([C@H](CC)c3ccccc3)nnc2N2CCC(C#N)CC2)s1 1744404135 FASMXRDYRLKSMM-OAQYLSRUSA-N 434.613 4.822 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(C(C)C)CC1 1748876314 BFDRQFIMOHCTOK-UHFFFAOYSA-N 434.584 4.640 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1748916831 FYCMJFZGSMCSTL-HOTGVXAUSA-N 425.886 4.822 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CC1CCN(Cc2cccs2)CC1 1748917515 BHLDRITYRFMLRQ-UHFFFAOYSA-N 447.652 4.941 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1C(F)(F)C12CCC2 1748954021 ZTDAXPHYDXXUJC-HXUWFJFHSA-N 442.554 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749118989 LYEFBYCNVOOJRD-PTLVVNQVSA-N 449.599 4.692 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(c2ncc(C)s2)CC1 1749119278 PSCLFKFZWDXMRM-VDGAXYAQSA-N 429.634 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)N(C)C1CCCCC1 1749144253 VJTZHPNYYFMRDR-UHFFFAOYSA-N 449.643 4.942 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1749148199 ZKKKTXMDEUQPPX-RDGATRHJSA-N 440.588 4.570 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCCCCO 1749252733 GDEYYKRGFBZSGZ-UHFFFAOYSA-N 427.980 4.704 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@](C)(O)c2cccs2)CC1 1749292989 ZXBUTHDBMCDBPX-UZUQRXQVSA-N 442.560 4.683 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1749356009 VMTKDCJLUOYISK-LJQANCHMSA-N 439.585 4.590 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@H]1C 1749356258 ZUFIJKQQHIVDGN-CQSZACIVSA-N 437.357 4.674 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1749428825 BSGZGRSDFWOBLF-UHFFFAOYSA-N 437.588 4.607 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCN1CCC[C@@H](C)C1 1749528520 SVAPBLXPQIRNPE-HXUWFJFHSA-N 425.621 4.509 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1749572743 BJYGMXWLBLJING-WKCHPHFGSA-N 432.572 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(CC)CC 1760116772 SXMOURKRHYCBMU-GHTZIAJQSA-N 439.991 4.656 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C)(C#N)CC1 1760131457 SPJUUFGLCFOCAX-HXUWFJFHSA-N 435.572 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC(F)F)c(F)c1 1760291172 DWQHWVAVTVHCQR-JOCHJYFZSA-N 430.430 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1760316361 QNSHIYCNCAGDJJ-JLMWRMLUSA-N 439.560 4.850 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCCCC1)C1CC1 1760471357 TYTHPOMGSNKPDD-IBGZPJMESA-N 441.595 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1760491490 JEXAVNYPILWFHO-RTBURBONSA-N 429.012 4.540 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H](C)c2ccccc2)C1 1760546873 XYYVHOFOIWPHII-PGRDOPGGSA-N 437.613 4.609 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(C)C)CC1 1760561825 NEOWVJRIEUMGIF-UHFFFAOYSA-N 430.618 4.754 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)C1 1761544546 GRTTUFGXMIAPSN-YADHBBJMSA-N 430.021 4.938 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)CCCCC1 1770991864 GIAZZCCKENRMSS-UHFFFAOYSA-N 432.572 4.544 30 10 IJEE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746998 GNVVUYISNSPALK-UHFFFAOYSA-N 432.480 4.921 30 10 IJEE O=C(/C=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860729334 FFDCIDDTGGDATB-HNQUOIGGSA-N 438.305 4.915 30 10 IJEE N#Cc1c(NC(=O)CSc2nc(-c3ccc(N)cc3)cs2)sc2c1CCCC2 1860820238 PWMUYQIBVRWSCW-UHFFFAOYSA-N 426.592 4.935 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)COc1ccc(Cl)c(C)c1 1861643438 YIFGODFHYBYVAH-FQEVSTJZSA-N 443.053 4.742 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862415103 PFQMLSBOVRHWIM-OAQYLSRUSA-N 426.463 4.552 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2Cl)c1 1862490894 GPMRDSYSOSFIDI-HRAATJIYSA-N 425.912 4.714 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(OC)c1 1862524318 BVZZTHIWORRUEF-ORAYPTAESA-N 444.325 4.835 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(CC)cc2)cc1 1862529202 CNKTYCSNPKZUCR-XMMPIXPASA-N 443.547 4.677 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccccc2)cc1 1862531638 ALFNMRLOUGCDCM-XMMPIXPASA-N 432.564 4.703 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862563115 VUKSUMMTEQDUQP-LJQANCHMSA-N 449.334 4.579 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1862582824 NIVXZAHZYKPFAO-GOSISDBHSA-N 448.302 4.926 30 10 IJEE CCc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(O)c2)cc1 1862589262 HSWFYMPPCDUINB-UPCLLVRISA-N 443.499 5.000 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2cc[nH]c2c1 1862715506 WOKWWQCIKRBLKX-HSZRJFAPSA-N 426.472 4.546 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CC(C)C)c1 1862756677 PWHVKYNCGANOMB-NRFANRHFSA-N 438.480 4.618 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2Cl)C(=O)N(c2ccc(C#N)cc2)C1=O 1863059209 XQLQEJHISAJJFM-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(Cl)cc2OC)=C(c2ccc(OCCC)cc2)C1=O 1863345864 QXTIOQNFIXJJSM-UHFFFAOYSA-N 440.927 4.824 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc[nH]1 1864920756 VIBWGQCJDDKYHE-FQEVSTJZSA-N 447.583 4.587 30 10 IJEE CCCC[C@@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1ccccc1C#N 1866602752 UYJVYOBVVMDUHB-JOCHJYFZSA-N 435.572 4.507 30 10 IJEE CC[C@@H](C(=O)N[C@H](CCSC)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 1866957548 URYODFMRILALII-WOJBJXKFSA-N 429.973 4.582 30 10 IJEE C[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867117349 PHPANFYFCGJVAO-IERDGZPVSA-N 433.458 4.502 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1cccc(C)c1C 1871190882 MVJDEEFEWKITCC-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE Cc1c(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cccc1[N+](=O)[O-] 1871372234 GWVBQXBRRMVXTQ-NHDPSOOVSA-N 446.371 4.647 30 10 IJEE N#Cc1c(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)sc2c1CCC2 1871461363 IZOHNUNTLLIZPN-GRSHGNNSSA-N 448.525 4.804 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871859746 PLLJFZBDQMJPGI-NRFANRHFSA-N 432.561 4.735 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccccc1CC 1872708057 UQKPLECVXYXNHA-UHFFFAOYSA-N 430.549 4.520 30 10 IJEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c(OC)c1 1872766676 JGPYSNPSJSAZDC-IOMDMTNGSA-N 426.444 4.995 30 10 IJEE CCCCCCCCCCNC(=O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1873934846 AOASAXIDGASBCV-UHFFFAOYSA-N 433.612 4.902 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1)c1ccccc1 1874430835 ZTGWEJVVMBKEFC-SYXCRGJESA-N 447.589 4.858 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2F)cc1OCC 1874501346 CRCPGLZIEUPMBB-ZMOGYAJESA-N 444.532 4.536 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C2CC2)cc1 1874521431 SFJZZRIVAPUHLQ-ZVHZXABRSA-N 425.602 4.702 30 10 IJEE Fc1ccc(COc2cccc(/C=N/n3c(S)nnc3Cc3ccc(F)cc3)c2)cc1 1874561717 FUAHKEAPDKVVAW-VULFUBBASA-N 436.487 4.897 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)cc1 1874575850 JXMPROAZTINJSN-NTCAYCPXSA-N 431.488 4.926 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)c1 1874597095 UKHPPRFPMCBWJF-ACCUITESSA-N 431.488 4.926 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)Nc1nccs1 1874603498 ZLEOVYNFJUWJPG-UXBLZVDNSA-N 448.544 4.944 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1OC 1874694331 XYLXOMLWDLEYNS-NTUHNPAUSA-N 446.455 4.744 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)C1CCCC1 1875116886 XPSWQCHFOQJLRS-KPKJPENVSA-N 425.437 4.604 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)c1 1875144134 GQBGSTAHFZDMJZ-VQHVLOKHSA-N 430.884 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)c(OC)c1 1875178796 CMPTZDNWUXVLAB-XNTDXEJSSA-N 432.472 4.722 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c1 1879743278 LFYWKJIACZAQMO-XDHUDOTRSA-N 442.365 4.732 30 10 IJEE Cn1nc(-c2ccc(-c3ccccc3)cc2)cc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1891355056 QKXBDCFQWOUOBA-UHFFFAOYSA-N 447.542 4.588 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)cc1F 1895030915 YLIRKHHZOFQRCA-IRXDYDNUSA-N 431.321 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)c1nc(CCNC(=O)OC(C)(C)C)sc1C 1922079960 JZQFSTBZRXHJEJ-FQEVSTJZSA-N 431.602 4.552 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1cnc(NC(=O)OC(C)(C)C)nc1C 1922095844 YEZXJPYHTTUMMM-NRFANRHFSA-N 426.561 4.946 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC2)C1 1923331229 VOOJOFPUPKEGLV-UHFFFAOYSA-N 447.498 4.859 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)C1CCCC1 1984691647 CUSUBTLFEOJSIB-VWLOTQADSA-N 445.563 4.844 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](Cc1nccs1)NC(=O)OC(C)(C)C 2004746886 FMEGYFRSWNRAAV-UNMCSNQZSA-N 445.629 4.720 30 10 IJEE C#CC[C@H](C[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076094709 HRRBRARCNHUUOF-RPWUZVMVSA-N 439.644 4.703 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C#N)(c1ccccc1)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2076789700 CIWXCABJTNWGOG-JOCHJYFZSA-N 444.536 4.868 30 10 IJEE CC(C)(C)c1nn(-c2nc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1C(=O)NC1CC1 2078840756 HSFSOPURLUOISH-UHFFFAOYSA-N 438.347 4.634 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cccc1Br 2116837902 BGQJUSPLSMYBFF-SJLPKXTDSA-N 427.358 4.936 30 10 IJEE C=C([C@@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221685083 MRALNGPUACAYQN-DLBZAZTESA-N 427.459 4.646 30 10 IJEE CN[C@H](C#Cc1ccccc1Cl)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2252760964 HXQOYOAAGVQTGD-SXSPYAJSSA-N 442.987 4.778 30 10 IJEE CN[C@@H](C#CC1CCCC1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2260980895 UNCTXKRKHALICW-DEOSSOPVSA-N 439.644 4.718 30 10 IJEE C=CC[C@@]1(COc2cc(F)cc(Br)c2N)CCN(C(=O)OC(C)(C)C)C1 2272234275 NBYCESRSRZXWTK-LJQANCHMSA-N 429.330 4.753 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(CC)n2)CCCCN1C(=O)OC(C)(C)C 2287731490 NOGYFRNOWGLCJW-HXUWFJFHSA-N 440.382 4.916 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)C(=O)C#Cc1ccc(Br)cc1 2296279829 SUKUAZIRKPVHSL-OAHLLOKOSA-N 448.279 4.852 30 10 IJEE CCC[C@]1([C@@H](C#Cc2cccc(Br)c2)NC)CCN(C(=O)OC(C)(C)C)C1 2296288673 JOOCAWNKRGOAME-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CCC[C@@]1([C@H](C#Cc2cccc(Br)c2)NC)CCN(C(=O)OC(C)(C)C)C1 2296288674 JOOCAWNKRGOAME-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1OC 2297745602 RRZTXLCOJOZSNB-QFIPXVFZSA-N 449.890 4.984 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2306613820 YNGGUSNOFZRNDY-RUZDIDTESA-N 428.573 4.699 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(Cc2ccc(F)cc2)CO1 2322051932 DEGDETRPYJMJKC-UHFFFAOYSA-N 432.407 4.702 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2C)c(OC)c1 2322904166 LUGGPTGNRBWSHW-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 2323381573 QYUVSPOLRUFKCA-UHFFFAOYSA-N 432.432 4.517 30 10 IJEE Cc1cccc(C=C2Oc3c(CN4CCN(c5ccccc5)CC4)c(O)cc(C)c3C2=O)c1 2324169448 MMXMHSDQJDKJMB-UHFFFAOYSA-N 440.543 4.947 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 2324693565 NDRLSWJOOUGVOY-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2324969543 BKNQZVFEFKVRPQ-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 2325721227 NCAJOGPNUMAKRB-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1cc(OCCCc2nnc(SCCO)n2N=Cc2ccccc2)cc(C)c1Cl 2325815129 YOKKHIQMDKPHCI-UHFFFAOYSA-N 444.988 4.527 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(OC)c1O 2326514790 ZYJZDARLCMEBIW-UHFFFAOYSA-N 432.933 4.527 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCCO)cc1 2328098934 OTRHOIIKIOKBIV-UHFFFAOYSA-N 443.016 4.981 30 10 IJEE COc1ccccc1CCc1nnc(SCCCO)n1N=Cc1cccc2ccccc12 2328703999 QZLWIUBMGHLEMJ-UHFFFAOYSA-N 446.576 4.582 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc[nH]2)o1 2330098216 BMPPEBDEGMOPRI-INIZCTEOSA-N 449.536 4.702 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2330638186 DAEWPGGVXVSSGZ-UHFFFAOYSA-N 442.424 4.749 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccs1)c1ccccc1 2330700810 ZTGWEJVVMBKEFC-QGZVFWFLSA-N 447.589 4.858 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccccc3F)nnc2C(F)(F)F)ccc1O 2331138172 HECVSZVPTWWHIA-UHFFFAOYSA-N 440.422 4.715 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c(F)cccc1Cl 2331429727 XBXIPGGVCDBLMH-UHFFFAOYSA-N 445.951 4.882 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2331663865 BQFIJGKZPNJCTO-INIZCTEOSA-N 441.988 4.736 30 10 IJEE CC(C)CN(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339590532 OBBZSWGDIJWANB-UHFFFAOYSA-N 446.397 4.998 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339599101 KLVRFKXUWXVZCF-XUDAUXSOSA-N 444.381 4.798 30 10 IJEE Cc1sc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c(Br)c1C 2342566498 RRIPDBYNUACJFK-GOSISDBHSA-N 428.201 4.826 30 10 IJEE CCN(CC)CCN(Cc1ccccc1)Cc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343695815 AHFJCPFDNUXDCS-UHFFFAOYSA-N 436.449 4.638 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2365216617 WDXOUKVLSNPUMM-ZWKOTPCHSA-N 439.394 4.723 30 10 IJEE C=CCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nc2cc(Cl)ccc2c1=O 11322001 HHIULFILWGXLMA-UHFFFAOYSA-N 443.985 4.732 30 10 IJEE CCOc1ccccc1/N=C1/SCCN1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 13095581 OHBIUCBWZYSICA-ZXIWMGDTSA-N 431.901 4.923 30 10 IJEE COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1OC 33321213 HAXQYPBSXHWOJQ-IQMFZBJNSA-N 432.476 4.664 30 10 IJEE CC(=O)Nc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1 33321229 WOVYXZVKACBIJP-WAIKUNEKSA-N 429.476 4.605 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 34955566 LFPVZZFLQJDZNQ-KAMYIIQDSA-N 448.471 4.836 30 10 IJEE N#Cc1ccc(NC(=O)CSc2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1 35426758 WFUSTCRLYZHTKR-UHFFFAOYSA-N 436.500 4.547 30 10 IJEE C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C/c1cc(Cl)cc3c1OCOC3)C2=O 37857921 MFTMMLJPJKJNHH-YVJZOELXSA-N 441.911 4.903 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(N(C)C)cc1 40079488 STEASCYVFZISGP-QHCPKHFHSA-N 436.552 4.918 30 10 IJEE Cc1c(S(=O)(=O)Nc2ccc(C#N)cc2)cc(-c2nc(-c3ccccc3)cs2)n1C 65008685 VOSWGJPSNFTCON-UHFFFAOYSA-N 434.546 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2ccccc2n1Cc1ccccc1C#N 95085912 LWBLYKUVOYHXKV-FQEVSTJZSA-N 432.524 4.735 30 10 IJEE Cc1ccc(/C=C\c2nc(C#N)c(N3CCN(C(=O)c4ccccc4Cl)CC3)o2)cc1 102887444 ZIDNMYXBVSZOEV-KHPPLWFESA-N 432.911 4.641 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1 169961928 HLFAFCXSLNYIBK-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccc(C)c2)cc1 169970987 YZPBOWYDOUIHEO-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccncc2)cc1 170019917 HNZXGVYRUCKFSL-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCOC(C)C)c1 170035322 RKKIERMIQQOXMD-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)c(C)c1 170058675 CCVHLSYNAPZLAE-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)c1 170076743 QLTJIVNGVUQPGQ-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@H]1c1ccccc1C 170087442 QHAIQAUDYCWTOI-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)ccc1Br 170173024 PUVGXDDGZFGSMQ-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)c1 170207972 QQIGDBSRBMMXEU-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2)cc1 170231757 WYKPIZVKGRCZJQ-QHCPKHFHSA-N 437.536 4.870 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)ccc1OC(C)C 170260709 GNFSYMNVQOGWHN-HSZRJFAPSA-N 447.487 4.859 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@@H]1CCCO1 170273601 FRZGTJHMRYDLAV-YADARESESA-N 427.500 4.906 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cc(F)ccc4F)[C@H]3c3ccco3)ccc2O1 170290973 LGMJSUOHQBICMG-QKVFXAPYSA-N 437.398 4.664 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccco2)cc1C(C)C 170291412 KJWITKGGPBUNSG-VGOFRKELSA-N 439.508 4.559 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccco2)c1 170295347 MUUJVMQQKCLGTA-HXUWFJFHSA-N 447.915 4.725 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)c1 170295994 CDLAUYOQMFRKTM-QFIPXVFZSA-N 435.451 4.986 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c(OC)cccc3OC)[C@@H]2c2ccc(C)o2)cc1 170300803 GHMYLVKRIJYVAD-QHCPKHFHSA-N 447.487 4.951 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)OCCO2 170325923 WXIZFKQFMUBOQD-XMMPIXPASA-N 443.499 4.989 30 10 IJEE C=CCn1c(SCCCCOC(=O)C(F)(F)F)nnc1C12CC3CC(CC(C3)C1)C2 253573643 RRDSDFOXJOBZFC-UHFFFAOYSA-N 443.535 4.910 30 10 IJEE COc1ccc(C#N)cc1CNc1cc(I)ccc1Br 312876484 ZUZJPYQRRCBQJM-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE C=CCN(C(=O)c1cc(OC)c(OC)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 445670047 KTYKOAOYUWETDJ-UHFFFAOYSA-N 439.493 4.877 30 10 IJEE C=CCN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nc(C(=O)OCC)cs1 466305520 DNMRFFOBPUGWTI-UHFFFAOYSA-N 427.913 4.868 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1noc(-c2ccsc2)n1 481368222 IAUYMOOTJZOQSJ-UHFFFAOYSA-N 425.539 4.755 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508479822 BUWQEHBKMPFQRW-UHFFFAOYSA-N 439.563 4.944 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 508897982 ZYFAEIDPOCCNFN-UHFFFAOYSA-N 433.581 4.990 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508921679 MKKXXFYZSYWVDW-UHFFFAOYSA-N 439.563 4.875 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)c1 526772603 KRDXLYAITILTRA-JOCHJYFZSA-N 445.446 4.785 30 10 IJEE COc1cc(Br)cc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)c1O 526809142 ZQHLKTXWKMIEMG-FBHDLOMBSA-N 447.358 4.546 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc1OC 526817104 HELURYDPOYXVJV-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cccs1 559159597 DPQRNODERBJBLY-CYBMUJFWSA-N 436.368 4.870 30 10 IJEE COc1ccc(CCN(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586156540 UISJLBYPYBTJDJ-UHFFFAOYSA-N 440.952 4.654 30 10 IJEE Cn1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c(Br)n1 712427466 YMFLWNXICYDRDE-AWEZNQCLSA-N 425.714 4.842 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)o1 742693738 DUXWPQUBTSTQMG-UHFFFAOYSA-N 437.521 4.834 30 10 IJEE COc1ccc(/C=C(\C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1F 754007359 KOKCGYNSVQKNOU-UKTHLTGXSA-N 440.525 4.892 30 10 IJEE C#CC[C@H](OC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccn1 788353720 KEHKKNYHEQERMM-MOPGFXCFSA-N 443.931 4.702 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccsc1 790285637 RQQGCPDEDIPSIL-KRWDZBQOSA-N 435.521 4.953 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(-c3cccnc3)n(-c3ccccc3C(C)C)c2=S)C1 1116539415 UTKCKWGMEKZWKK-FQEVSTJZSA-N 435.597 4.823 30 10 IJEE C#Cc1cncc(C(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)c1 1135616212 YQOFHYPDIKAYSP-UHFFFAOYSA-N 440.934 4.900 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@H]2[C@H]3c4cc(Br)ccc4C[C@H]32)cc1 1136611809 DEMMVYIVPHACBS-QHAWAJNXSA-N 425.326 4.680 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1(C)C 1142722332 CVDDQDKSIJGGNN-NHCUHLMSSA-N 434.540 4.723 30 10 IJEE C#CCN(CC1CC1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1151195157 LRJXNIOZFFCEQH-UHFFFAOYSA-N 438.593 4.624 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](Cc3ccccc3)C2)n(Cc2ccccc2)c1C 1167331966 DTADJRVFQDSZIZ-RUZDIDTESA-N 440.591 4.918 30 10 IJEE N#Cc1ccc(CN(CC(=O)Nc2ccc(Cl)c(F)c2)c2ccc3nc(O)[nH]c3c2)cc1 1167788868 HHQSXJHODNYSFU-UHFFFAOYSA-N 449.873 4.578 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)C1CCOCC1 1204189495 URAJUHCMBZIKMT-IBGZPJMESA-N 447.304 4.930 30 10 IJEE CC(C)N(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(Br)ccc1C#N 1208400491 BKSJAAWZUZPEEI-UHFFFAOYSA-N 427.751 4.573 30 10 IJEE C=C(Br)CNC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 1221566601 XROHUOGIFCHJIS-AWEZNQCLSA-N 427.140 4.516 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 1227237773 AVVIWAGHVMKDSC-UHFFFAOYSA-N 440.053 4.913 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CCN(CCC)CC1 1286423814 PVJXLYOTRVLZKM-UHFFFAOYSA-N 445.655 4.828 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(C)C)C1 1286497980 ZYVJTPRBYLRGQS-RTWAWAEBSA-N 426.630 4.884 30 10 IJEE C#CCSCCn1c(N2CCc3cc(OCC(C)(C)C)ccc3C2)nnc1C(C)(C)C 1286513247 RXXDYHMXHOEBHW-UHFFFAOYSA-N 440.657 4.930 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC)(CC)C1 1286553907 WBLFMQOIFALRSU-UYAOXDASSA-N 429.996 4.991 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(F)cc(F)c2C1 1286556188 BJEOIJBVIOIOSX-HTAPYJJXSA-N 430.543 4.689 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCN(C(C)=O)CC1 1286684542 IXUFCPMOTSENCK-GOSISDBHSA-N 441.645 4.546 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1cccs1 1286714865 USYBKCPEGBXAOW-MBSDFSHPSA-N 426.586 4.626 30 10 IJEE C=CCN(c1nnc(CCc2ccc(OC)cc2)n1Cc1cc(C(C)(C)C)no1)C1CC1 1286736791 IGGBZFJWVBXFNG-UHFFFAOYSA-N 435.572 4.561 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1Cc1nnc(C(C)(C)C)s1 1286739013 MAQOCFQTEFPTKN-UHFFFAOYSA-N 440.617 4.800 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)cc1 1295855687 IQNBTUJEFMKGPL-HXUWFJFHSA-N 445.300 4.671 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1300422343 LAJFGYXHXZUZRU-UHFFFAOYSA-N 449.643 4.588 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(Cl)s1 1300510983 FFGFAMVXHSOJOC-SFHVURJKSA-N 438.984 4.871 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)CCC(C)C 1300786670 HFUFANGXNBVRKT-QTLGCAHFSA-N 442.579 4.737 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1300881641 QBEDRFMESDVFLA-IZIIKQMZSA-N 449.599 4.578 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCSC2(CCCCC2)C1 1300981284 XCSLPEKMQNWPGR-UHFFFAOYSA-N 442.629 4.803 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC2CCOCC2)CC1 1301069298 CCAQEAFQCFYOOZ-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1301183277 UWSBBMQTHGTOOD-SFHVURJKSA-N 445.493 4.753 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1301229572 UHZTVEZNHAZXHY-JPYJTQIMSA-N 434.588 4.702 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CCSC(F)(F)F 1301348492 BWFMPCVLKVRBKJ-UHFFFAOYSA-N 433.503 4.710 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C 1301367702 RTCBERZMQFWQKA-RCZVLFRGSA-N 443.705 4.968 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2C)C1 1301614940 AVVADYBSNCVWAM-LJQANCHMSA-N 439.654 4.855 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 1303445346 UUQYGMKLMGOSAA-UHFFFAOYSA-N 438.528 4.644 30 10 IJEE C[C@H]1CCCN(CCn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)C1 1305047415 GFSWERAGMJDGSA-ROUUACIJSA-N 447.052 4.694 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nccs1)SC 1305686154 BINXHGYMPAQKKK-UHFFFAOYSA-N 426.615 4.831 30 10 IJEE CCc1nc(CCn2c(-c3ccccc3Cl)nnc2N(CCC#N)CC2CC2)cs1 1306017928 GRDAPVHZPRDWNP-UHFFFAOYSA-N 441.004 4.990 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1 1306318128 FDQPCEHMPKMUQH-DENIHFKCSA-N 432.572 4.872 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)Cc3ccc(Cl)cc3Cl)ccc2c1=O 1306472173 IYHLBUUIQDDGGZ-LBPRGKRZSA-N 448.375 4.539 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H]3Cc3ccc(F)cc3)c2C#N)C1 1307425464 GRBOOSMZCLHICM-QFBILLFUSA-N 425.573 4.919 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1310585457 ZXUCDCXJJCSDBH-KRWDZBQOSA-N 430.348 4.820 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1312382340 SIXAMNFCAMHBNE-QGZVFWFLSA-N 434.367 4.979 30 10 IJEE C=C1CCC(CNC(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CC1 1312663582 WXEHDQNERQTTJX-IBGZPJMESA-N 448.405 4.607 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1312852771 GCWIBSJTPKZNEC-OZXSUGGESA-N 439.559 4.870 30 10 IJEE C#CCN1CCC(C(=O)Nc2cc(-c3ccc(Cl)cc3)sc2C(=O)OCC)CC1 1351090154 HJVJKVXCIJRJCY-UHFFFAOYSA-N 430.957 4.529 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)C(C)(C)C 1358878676 BEOYVKAYKUWQLY-QAPCUYQASA-N 433.394 4.535 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](COCC)C1 1358906720 QGHNTLXDWLIPNR-RTBURBONSA-N 426.630 4.798 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@@H]1CCO[C@H](C)C1 1358951837 NSRVQYAJHPPOLR-WOJBJXKFSA-N 445.007 4.526 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](SC)C(C)(C)C 1358972918 YDTPGBCOVOUVNM-SFHVURJKSA-N 445.430 4.558 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1358998027 NJZGBILQCXJQOO-IEBWSBKVSA-N 448.464 4.753 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1Cc1nc(C)c(C)s1 1359073999 MNBOPMZBUKELBO-XMMPIXPASA-N 435.597 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1359091584 PAOGDPIGSAGWPE-VIZSFHNOSA-N 439.604 4.524 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCCCCC1 1359095517 PFBLEFYJKRXINS-NFBKMPQASA-N 440.588 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](OC)C(F)(F)F 1359116346 IBFYPLCQNNJDLA-BRWVUGGUSA-N 432.531 4.567 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC2(CCCCC2)C1 1359127149 JOTCWCNIHKSIBZ-QHCPKHFHSA-N 438.616 4.952 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1359195278 JSGAAVSTWIRIJX-BJKOFHAPSA-N 438.616 4.785 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1359197198 HEALUQBPSSZLAY-LJQANCHMSA-N 434.544 4.779 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359198873 DBXQILBYVMPOHB-XMMPIXPASA-N 441.645 4.594 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359212558 PKNFUWLYNXMTIJ-MOPGFXCFSA-N 431.378 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1ccccc1Cl 1359268588 VRTKLDCTGIJJEV-QFIPXVFZSA-N 444.366 4.733 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCCCC2)CC1 1359339774 QIOAIXNZRINXNU-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)CC1 1360363911 GEBVKHNZFKFOEM-UHFFFAOYSA-N 444.583 4.583 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1360649215 DHPGJZTWEMVZTL-HXUWFJFHSA-N 435.524 4.788 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2Cc3ccccc3C(C)(C)C2)n(-c2cccc(F)c2)c1C 1459873533 CYWGFJCAGDTFQW-UHFFFAOYSA-N 430.527 4.837 30 10 IJEE C=CCN(Cc1ccc(OC)cc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1459949012 BVOOSDLVNXNYOE-NRFANRHFSA-N 432.358 4.620 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccn(C3CCOCC3)n2)cc1OCC 1461643494 YRYKHWLZOPDEBA-UHFFFAOYSA-N 436.350 4.573 30 10 IJEE C=CCn1c(SCC(=O)Nc2cnn(C3CCCC3)c2)nnc1-c1ccc(Cl)cc1 1462889974 TVBYYBBNXZSASH-UHFFFAOYSA-N 442.976 4.827 30 10 IJEE C#CCCOc1ccc(C(=O)N(CCCN(C)C)Cc2ccc(Cl)c(Cl)c2)cc1 1464492553 OREKLZYGLXEBCX-UHFFFAOYSA-N 433.379 4.990 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 1464716054 CJWMFVWAMCBBNV-UHFFFAOYSA-N 444.304 4.815 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)Nc3cc(C#N)c(F)cc3F)C2)C1 1467184887 FQJAPAQLDXPGFC-CVEARBPZSA-N 448.514 4.727 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1)c1ccccc1 1468348149 QKOBEMWHOHWIDI-BJKOFHAPSA-N 428.532 4.970 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CC[C@@H](N4CCCCC4)C3)c2C#N)C1 1473170086 DUYZLAALFFVNMZ-RBUKOAKNSA-N 442.673 4.660 30 10 IJEE COC(=O)c1cccc(CN2CCCC[C@H]2Cc2cccc(Br)c2)c1C#N 1473569068 GTIGEADHHUHEJS-IBGZPJMESA-N 427.342 4.705 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](c2ccccc2)N2CCCC2)cc1OC 1473913879 OMDXGOZQVGFSPX-NRFANRHFSA-N 445.401 4.949 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 1475833504 NDNWBVOUIBIAKN-UHFFFAOYSA-N 428.414 4.533 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1476040303 GMWPLARDEJSYCI-IPMKNSEASA-N 442.560 4.503 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)c1 1476104361 RNXLMFUYADUBTA-CTNGQTDRSA-N 429.561 4.896 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(Cl)=C(Cl)C1 1507583043 MPFPDWIITXLLAP-UHFFFAOYSA-N 428.323 4.913 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H](c1ccsc1)N(C)C 1507700000 MYZDABGQTCZVDO-NRFANRHFSA-N 425.577 4.545 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C)C(C)(C)C1 1507748951 NUJAWQKDHXTIBJ-INIZCTEOSA-N 433.021 4.846 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 1507825350 VJEWZEHMKXKQOO-NYLDSWQDSA-N 441.595 4.834 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1507845100 ATBRRHRGAVCZAZ-SFHVURJKSA-N 448.558 4.524 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCCS2)CC1 1507879934 YWMXJAVXQDFDLM-LJQANCHMSA-N 428.602 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(c2nc(C)no2)CC1 1507912910 RMIURJBFRJQWKK-UHFFFAOYSA-N 436.560 4.631 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2ccsc2)CC1 1507926035 NFQHCDRMTGPYNS-UHFFFAOYSA-N 432.597 4.557 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1 1507947675 IEERGOKUMQFTEA-SFHVURJKSA-N 429.565 4.588 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCc1sc(C)nc1C 1507970069 DBICWJDGOIBOSL-UHFFFAOYSA-N 432.391 4.646 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCO[C@H]1CCCC[C@@H]1C 1508003895 FTTDCCXIPFJCFK-REWPJTCUSA-N 432.572 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cc(F)ccc1OC 1508008671 IIROZGKMQVIQST-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1nc(C)c(C)s1 1508026998 KLLCUFJRMBFRKK-UHFFFAOYSA-N 434.569 4.598 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(CC(C)C)C1)C1CCCC1 1515392694 DJJXTUVWNSPCBV-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc3cc(Br)cnc3n2C)cc1 1517880033 SORHNHDZHFEFOD-UHFFFAOYSA-N 442.313 4.598 30 10 IJEE C=CC[C@@]1(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)CCCN1C(=O)OC(C)(C)C 1524978774 UBBAABQDMXKYIZ-DEOSSOPVSA-N 443.975 4.983 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)OCc2cc(Br)cnc2Cl)cc1OC 1527133878 TYYDBRYUNCKJTA-ALCCZGGFSA-N 438.705 4.828 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)c1ccc(Cl)cc1 1528060547 FIXHAFXPOZYGGV-HSZRJFAPSA-N 429.907 4.979 30 10 IJEE C=CCN(C(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)[C@@H](Cc1ccccc1)C(=O)OCC 1529014105 AZMDPQQCPCFZPX-CVDCTZTESA-N 448.567 4.513 30 10 IJEE C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1529439741 CZPLFFOUBUCKOB-AVRDEDQJSA-N 434.536 4.720 30 10 IJEE Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C)c(C#N)cn3)[C@@H]2c2cccs2)cc1 1530645698 BOXXDVYQXIULNQ-AUSIDOKSSA-N 430.533 4.755 30 10 IJEE CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 1532076188 DUFHHHDVMNQGDJ-UHFFFAOYSA-N 435.593 4.963 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C 1535744638 QSZXSDSWJFAEDF-VABKMULXSA-N 437.584 4.889 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1C(F)(F)C12CCC2 1538993834 SJQPYBYYVQUPPE-CZUORRHYSA-N 435.316 4.601 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1539097875 YXNMHMJLJZVKPO-UHFFFAOYSA-N 440.498 4.510 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](c2ccco2)C1 1539607269 AZGNRDCLVHRGEY-KRWDZBQOSA-N 443.345 4.661 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1539627164 IBDHIOVDCZCBQC-OXJNMPFZSA-N 429.927 4.683 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1539632193 PYEDWUJVFJEGNJ-CKUXNOBLSA-N 438.616 4.993 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2sc(C)nc2C)CC1 1539836560 UTENXAGTKSBNTH-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(OC(C)C)CC1)c1ccccc1 1539940627 TXFYGKLIEOFQEI-PKTZIBPZSA-N 438.616 4.926 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC(F)(F)C1 1539944614 DFATYPMUSXEGAY-INIZCTEOSA-N 435.519 4.624 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccccc1 1539947078 HSLURIDLCCQEII-XMSQKQJNSA-N 436.522 4.730 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1539966901 NESPLETVFWBGIV-WOJBJXKFSA-N 447.624 4.569 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC1CCC(OC)CC1 1540180395 MWJISYMWRBKPTN-UHFFFAOYSA-N 431.584 4.780 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2cscc2C(F)(F)F)C1 1540890142 AOZMIPVSSSHRMY-INIZCTEOSA-N 426.508 4.846 30 10 IJEE C=CC1(CC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2OC)CN(C(=O)OC(C)(C)C)C1 1556552450 DWYSKHXCVCIJEV-QUCCMNQESA-N 428.573 4.808 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3F)cc2n1 1558514861 UWKVEEXDHHIHQZ-FQEVSTJZSA-N 442.466 4.705 30 10 IJEE CC[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)Oc1ccccc1C(F)(F)F 1560365539 BJLLLIIQGJVCJM-IBGZPJMESA-N 428.458 4.925 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 1562255710 NQJVZIFWYACEQA-FQEVSTJZSA-N 447.457 4.583 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1563056227 BRGYPGHMDHNONK-GFCCVEGCSA-N 426.357 4.999 30 10 IJEE Cc1cc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1Oc1ccc(F)cc1 1563803901 GBLCNWSDCJFPNG-QFIPXVFZSA-N 446.482 4.556 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C 1583149600 MKQUSKCNRIVCMJ-QFIPXVFZSA-N 433.508 4.904 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cl)c(I)c1)c1ccc(Cl)cc1F 1583579522 SFNGWMQVADHICY-HNNXBMFYSA-N 448.062 4.841 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1583695725 NAFYEUJTXKBACE-FQEVSTJZSA-N 431.985 4.730 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1584398573 QIAYNEYNYIRHEL-DENIHFKCSA-N 447.604 4.793 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C 1587336196 FSSCKCPQOQRNLZ-IFMALSPDSA-N 429.605 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(COC(C)(C)C)c1 1587593543 MAWUOKMIQKXWPM-KRWDZBQOSA-N 437.975 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cccnc1OCCC 1587679262 YXEWKZFMHZJURF-LJQANCHMSA-N 435.597 4.569 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1587723290 HMNVLMYUNNHUNO-QFIPXVFZSA-N 436.531 4.975 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3c(C)c(O)nc4ccccc34)c2)c1 1587855244 BPCYWHBNKLLTQC-UHFFFAOYSA-N 436.467 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H](C)c1nc(C)cs1 1589251662 QADPBEVHSPOKCW-AVRWGWEMSA-N 449.624 4.980 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1589394451 GASMPAWREJTITP-MOPGFXCFSA-N 426.362 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCC)C1 1589504344 HJBJJOSWVUCZHM-TYPHKJRUSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCC1 1589658085 RTXXMBDCUDXNCK-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2nccs2)CC1 1594218223 ABQSEUVYWVHJME-UHFFFAOYSA-N 439.585 4.650 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCCO1)c1ccccc1 1594552205 JDXUMRFRJIDHMN-RPWUZVMVSA-N 448.615 4.505 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1595062862 ZWSJNBXQESDVQP-UHFFFAOYSA-N 439.532 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCSC1 1595149554 QFFMTCCHIHHMMZ-QGZVFWFLSA-N 426.611 4.961 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1Cc1csc([C@@H](C)OC)n1 1595190856 JVZKSQMLSYQLRC-OAHLLOKOSA-N 429.977 4.989 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1595200338 ANDURMZQOKKWDV-AREMUKBSSA-N 445.567 4.733 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C)CC1 1595845317 RMZSOOXCCWPNGZ-HNNXBMFYSA-N 438.439 4.592 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(F)cc2C1 1595905865 SPMRARWCUCNAPA-NHCUHLMSSA-N 444.620 4.818 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)CCCN1C(=O)OC(C)(C)C 1611116925 IQJKWBBZBPMLGK-VLIAUNLRSA-N 427.467 4.623 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccco2)C1 1612659173 ARUHMQKUNPGANZ-WOJBJXKFSA-N 446.599 4.803 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(=Cc4ccc(F)c(F)c4)CC3)n[nH]2)c1C 1625772049 USRIUXVYRXAOML-UHFFFAOYSA-N 437.494 4.674 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1c(Cl)n[nH]c1C)c1ccc2c(c1)OCCO2 1627421532 SLOGTMVJESOBCE-UHFFFAOYSA-N 439.899 4.555 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1NCC)c1ccccc1 1630286332 AVUIUZHDGAFEQW-CQSZACIVSA-N 426.460 4.710 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 1634574517 HZBHUYWVKUPZLE-PKTZIBPZSA-N 431.536 4.551 30 10 IJEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)CC1 1636777422 FFUOGBXLTKKGTQ-UHFFFAOYSA-N 434.952 4.720 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1638439826 ILCMFNVSTWNHPE-PCCBWWKXSA-N 430.589 4.941 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1651144617 ZHRNHSXJJWZXQK-ICSRJNTNSA-N 442.581 4.669 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2nc3cc(Br)ccc3o2)CC1 1653479588 AJQFNUITBGJPFA-SFHVURJKSA-N 445.748 4.626 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)c1 1657585359 NIPAQJVDXQTDLC-UHFFFAOYSA-N 449.942 4.565 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2CCSCC2)c(C)c1 1657692500 OUPDBGHWFSJCRF-UHFFFAOYSA-N 431.399 4.935 30 10 IJEE COc1cc2c(cc1OC)[C@H](C)N(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)CC2 1665855255 GPDIIPSBCVJENU-INIZCTEOSA-N 444.491 4.914 30 10 IJEE CN(c1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1F)C1CCCCC1 1667973751 AGAITWOOMJHTKG-UHFFFAOYSA-N 449.574 4.816 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1ccc(Br)cc1Cl 1669535990 GSLFIIOVFXHXKJ-UHFFFAOYSA-N 425.685 4.918 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)c1ccc(Br)cc1 1676358894 WQQLJYJQQYYNDS-VXKWHMMOSA-N 440.385 4.568 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1CC2(CCOCC2)CO1)c1ccc(C(F)(F)F)cc1 1680633597 QESUNMXSPMNURW-MOPGFXCFSA-N 426.479 4.598 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(N(C)C)CCCCC1 1681315686 IABNWZZICVSXPT-UHFFFAOYSA-N 426.374 4.550 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1)c1ccc(F)c(F)c1 1681778913 HVKLPWGIPVSWHF-HXOBKFHXSA-N 429.511 4.679 30 10 IJEE C#C[C@@H](NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1683688340 BBEQSGHLXJTQFB-YUBNGQEKSA-N 449.954 4.725 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1685548351 KMANHZYEQGNISH-SBHAEUEKSA-N 429.333 4.872 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC1(C)C 1690053848 JMQPIOLOVKIFEF-INIZCTEOSA-N 431.367 4.673 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cscc1C 1690065323 STIOIVNWSVBOKC-UHFFFAOYSA-N 429.387 4.894 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)CN1CCCC1 1690214714 STYDUGGKFZLXHK-SQJMNOBHSA-N 437.657 4.603 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](C)(CC)C1 1690222971 ANYIVBIARLMRDH-NRFANRHFSA-N 449.393 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@H](C)Cc2ccc(OC)cc2)nnc1C(C)(C)C 1690252189 AVUDUGVTCWTOIL-LSWJPFSZSA-N 440.632 4.880 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CC=CCC2)CC1 1690404399 CBOPPJUQZQMXQL-UHFFFAOYSA-N 432.399 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(Cl)cccc2C1 1690437792 PDUZNKNJRRUBEF-UHFFFAOYSA-N 439.007 4.958 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)OC1CCCC1)c1ccccc1 1690446967 IJODQYSCTGVVME-JOCHJYFZSA-N 434.588 4.810 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc2c(s1)C[C@H](C)CC2 1690519339 GPBANSWUHICBMB-CYBMUJFWSA-N 431.968 4.989 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1(N(C)C)CCCC1 1690553708 DJJRVBUMTNYULS-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC=CO1 1690578982 CHPCFBVZJUAYPF-HXUWFJFHSA-N 436.581 4.824 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn2ccsc2n1 1690588287 QBBIYLCEDSUMNJ-UHFFFAOYSA-N 440.960 4.543 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1sccc1Br 1690615675 OGHBEZHNQNDHRU-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@H](COC)C1 1690738782 YHDQSJSXEYSPEF-IBGZPJMESA-N 437.613 4.665 30 10 IJEE C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 1692731989 GRVPZMZCKIGVGJ-UFRIGAJXSA-N 443.542 4.581 30 10 IJEE CCN1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1695842001 ADIRMHRJALXYGK-VGOFRKELSA-N 447.414 4.866 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1705480585 TXWMEGBWTVGTLI-XLIONFOSSA-N 444.526 4.886 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccco1)N(CC)CC 1705486154 YAEVMFKEAZAKJZ-AUSIDOKSSA-N 442.567 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccc(Cl)cc1 1705506257 UODKEPRAZNIYFQ-DEPWHIHDSA-N 445.007 4.776 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCCC[C@@H]1C 1705546096 AECBCRUOTLMGSW-NRFANRHFSA-N 430.600 4.526 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCCC1(C)C 1705617940 NBMBMBGHVOKKHP-QFIPXVFZSA-N 433.021 4.625 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1705656817 KHORFBLARDQVLQ-KRWDZBQOSA-N 445.514 4.638 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCCC[C@H](COC)C1 1705701376 BHGDTIINHVBJAH-JQVVWYNYSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1C(C)C 1705705753 KZAZNYKIAQIJLE-VTZPFEBOSA-N 438.616 4.678 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1705796234 BMROHKLUXPBKIE-GGAORHGYSA-N 434.588 4.558 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)[C@@H]1CC 1705801910 VUYIGFQRTGSWAO-HKUYNNGSSA-N 444.649 4.528 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cccc(Cl)c1 1706462569 GODWNIZKXLRCFR-HSZRJFAPSA-N 432.012 4.903 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](OCCC)CC1 1722326359 RDJXTMRMACFXRE-FQEVSTJZSA-N 445.405 4.907 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CCSC2)C1 1722327587 GSJLLQRRJZZPGJ-NRFANRHFSA-N 445.430 4.763 30 10 IJEE C#CCCCn1c(Cc2cccnc2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1722334877 MFGICJCJOKTXFE-UHFFFAOYSA-N 431.565 4.847 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(CCOC)CCC1 1722375202 JBEZTJFCWRJJNX-UHFFFAOYSA-N 431.367 4.532 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(C)s1 1722379763 MJGVCUDNUUIUGJ-UHFFFAOYSA-N 439.382 4.507 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(Cl)ccc2C1 1722518677 GEUUMBRTRULWJT-UHFFFAOYSA-N 432.753 4.828 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722519988 PRGAOXODJLYNEC-QFIPXVFZSA-N 445.615 4.636 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2([S@@](C)=O)CCC2)CC1 1722575052 WLKREROCRHKIJK-URAOTHONSA-N 426.630 4.524 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOCC)CCCC2)CC1 1722579543 QTJGAFRXNJLECW-UHFFFAOYSA-N 440.636 4.529 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1Cc1cnccc1OC 1722664413 ZCVPHIFAGURBDQ-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1722671079 IFEIQRBTMOAZTM-ONTIZHBOSA-N 441.645 4.843 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722687876 QJOUMZNGRKXXNU-HXUWFJFHSA-N 438.597 4.907 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCC 1722730784 CRCFSHZUVJVXGA-UHFFFAOYSA-N 444.377 4.885 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCC[C@H]1C 1723532727 HYEWTAMEYOSIFJ-HOYKHHGWSA-N 435.597 4.844 30 10 IJEE Cc1cscc1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1725146460 DPVFTWXPQQMBCM-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1740590942 OYTFPTJUTQPFEU-QFIPXVFZSA-N 426.992 4.953 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)OCC 1740646926 LYERVNMKPLKMAL-UHFFFAOYSA-N 447.608 4.655 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@@H]1CCCN(CC(C)C)C1 1740677262 SFZYUALYGYFBOW-JOCHJYFZSA-N 437.607 4.693 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)CC(C)(C)C1 1740724184 YHUGDXWFTJNFHG-IBGZPJMESA-N 426.630 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)CCc1cccs1 1740755160 YHXJYIYMEMZWSU-GMAHTHKFSA-N 447.608 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1740760851 LCPFWSUIKXOOOD-LAUBAEHRSA-N 430.980 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)c3cccs3)CC2)nnc1C(C)(C)C 1740767783 RCNXOVLVUANOHA-GHTZIAJQSA-N 442.629 4.718 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(O)(CC)CC)CC1 1740828010 STCKNTYIVRYDMX-UHFFFAOYSA-N 426.605 4.996 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCN2CCC)CC1 1740834740 AZOOGZDFQTYTFG-QFIPXVFZSA-N 438.576 4.520 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(C)(C)O)cc1)C1CC1 1740913900 WKOMPDGYWYOKHQ-FGZHOGPDSA-N 438.616 4.627 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@@](C)(O)c1ccccc1Cl 1740934450 FLAQXFPDKTUSBZ-HSZRJFAPSA-N 428.964 4.791 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740945343 ZWGCONFXOBLCNB-NRFANRHFSA-N 428.577 4.570 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)CC1 1745835108 AAWPVJQVOHSSPH-QPPBQGQZSA-N 439.629 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1CCC(OC)CC1 1748649910 UWIUNVUHBHWBPO-HPUBIQBYSA-N 449.368 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCC(C(F)(F)F)CC1 1748651351 LAZRWJHESXOEFT-UQPPLGOBSA-N 435.450 4.680 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1748723977 FTCCDRKKUGENSB-KDURUIRLSA-N 443.389 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC[C@@H](C)C1 1748912490 FBSMTBXTAJVVNK-LJQANCHMSA-N 448.640 4.568 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCC1CCOCC1 1748946324 FSIYZEOELFFQHF-UHFFFAOYSA-N 438.572 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749120515 FOJZKFXDBDWJQP-DYXWJJEUSA-N 428.577 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]1C 1749126050 ZUICORXMRPSCND-NOXFTYBFSA-N 440.588 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1749131022 PLTHKJINTTXITH-WPYKKVEZSA-N 442.579 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)c1cccs1 1749149024 OHJKMMDFLYZBMP-JOCHJYFZSA-N 447.004 4.979 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CC(C)(C)C1 1749154422 SKLMRXGWSZKSFH-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1749390594 HGXUXOSOPSTIFP-UHFFFAOYSA-N 442.510 4.969 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1749401976 GTMOMDPDYCDQRG-HSZRJFAPSA-N 438.616 4.698 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCCCCC1 1749573322 ODLDNROAAIIGJJ-UHFFFAOYSA-N 433.556 4.864 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1749593933 CXRHLLSKRNJDDJ-UYAOXDASSA-N 430.593 4.715 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc(OC)cc2C1 1749614029 OCINLNFLCSWQDT-UHFFFAOYSA-N 431.359 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCC1(F)CCC1 1760121066 RQWRITHZSBCYAL-SFHVURJKSA-N 432.971 4.992 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1760231268 NCVAEQLSOUIDLM-UHFFFAOYSA-N 446.624 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCC[C@H]1C 1760289596 RAFXYZCADGJUPN-NTKDMRAZSA-N 426.008 4.855 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1760344455 RXNNHFFPMXGAPB-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](SC)C1 1760352074 OBGNUTYYJKPWOX-RXVVDRJESA-N 448.608 4.872 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1760392235 JBTRGWHXGWMKTN-XMMPIXPASA-N 438.597 4.600 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)C)C1 1760407408 CKSSIYBVUVYREO-NRFANRHFSA-N 439.604 4.611 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCCC)nc1)C1CC1 1760475645 OXOUVOWALMDZDG-IFMALSPDSA-N 439.604 4.584 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](c1ccsc1)N(C)C 1760482398 VVBKSRLDAGKCLI-QHCPKHFHSA-N 444.608 4.897 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCc1cc(Br)ccc1F 1760493490 FXFCOHFEUPMYQA-LJQANCHMSA-N 449.368 4.842 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOC(C)(C)C)C1 1760536475 BVLLDUCHQWMIKI-INIZCTEOSA-N 439.387 4.848 30 10 IJEE CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1762126093 HKWUISLBZWGOJP-DEOSSOPVSA-N 432.572 4.829 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(CC)cc2)CC1 1772554948 YYNGDJFFBSEAHQ-SANMLTNESA-N 438.616 4.526 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(=O)cc1C(=O)O 1857890367 UCPYJGIMAZYVOD-UHFFFAOYSA-N 448.947 4.886 30 10 IJEE CC(C)(C)NC(=S)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1860498747 PZAWHDGZYYXBTG-ZVHZXABRSA-N 428.989 4.970 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c1 1860620429 TZJYYZPTBGGXMI-UHFFFAOYSA-N 437.543 4.639 30 10 IJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H](CCOc1ccccc1)C(=O)N1CCC(C=O)CC1 1860623035 SFYUYGCYWRYMSP-ZBCONREDSA-N 429.601 4.739 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)c(Cl)c1 1861929206 SQYOEMCCBHOGOA-FQEVSTJZSA-N 435.326 4.674 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1862448838 WPQSUOLPKKTVED-IBGZPJMESA-N 438.823 4.620 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2Cl)c1 1862491512 VPBWPKRYEROEBU-NRFANRHFSA-N 427.928 4.960 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1C(=O)O)c1cccc(O)c1 1862598796 ZPBLKOUUQGHNNV-JOCHJYFZSA-N 447.487 4.559 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862682635 QRIVLZZNPSRGTG-NRFANRHFSA-N 437.467 4.523 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 1862748722 IKARPYLEGQRMQX-JOCHJYFZSA-N 446.434 4.555 30 10 IJEE Cc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc(OCc3ccccc3)cc2)cc1C 1870152449 STPJZAZHVDPZBX-UHFFFAOYSA-N 437.503 4.516 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(OC)c2)cn1Cc1ccc(F)cc1 1870606383 HWIHNNUWGVMAKO-UHFFFAOYSA-N 448.538 4.797 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN(CCCCN(C)C)CO2 1871348502 IVWHQDCCEIYUIA-MTJSOVHGSA-N 444.934 4.897 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871392715 NVJIZSNWOQRGPQ-STZFKDTASA-N 443.927 4.827 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)c1 1871424345 GJIAAZGBJUOIRZ-SMNNTEATSA-N 443.499 4.876 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871860938 UCDRXISQEKZXAA-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871870216 KFGCFWLMBOUFPI-GFCCVEGCSA-N 447.771 4.851 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872098504 JEFYPIFQTKGBSX-HSZRJFAPSA-N 439.581 4.625 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1cccs1 1872137966 JUNBRDSZXRCJJE-NRFANRHFSA-N 426.563 4.695 30 10 IJEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)COc3ccccc3)n2)cc1Cl 1872783226 UYBJMCWUSAMESJ-HNNXBMFYSA-N 428.897 4.736 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc2c(NCCOC)ncnc21 1873603776 RNTIGPXGGQDNCU-UHFFFAOYSA-N 442.523 4.672 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(NCc3ccc(C)cc3)ncnc21 1873641894 RQYJGNUPKWEJRI-UHFFFAOYSA-N 442.479 4.698 30 10 IJEE CCCCCCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1873934857 AZBSHWWRLLWGIY-UHFFFAOYSA-N 443.053 4.998 30 10 IJEE CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874245838 ZBMYODUSVALZDJ-LPYMAVHISA-N 445.932 4.764 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(O)c(OCC)c1 1874300300 NENBQOGBUZANDO-ZVHZXABRSA-N 440.569 4.963 30 10 IJEE CCSc1nnc(CCOc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874345358 LAMPZIDXDVWBMK-LPYMAVHISA-N 449.349 4.795 30 10 IJEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874362642 OVSCSICHVHLPMB-WGOQTCKBSA-N 444.560 4.957 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)c(O)c1 1874413357 PMCJHORCZLBJCN-HZHRSRAPSA-N 436.562 4.559 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cc(OC)ccc1OC 1874502653 SKQPVHPUJQPYEN-AFUMVMLFSA-N 448.548 4.769 30 10 IJEE CCCCOc1c(Br)cc(/C=N/n2c(SC)nnc2C2CC2)cc1OC 1874514514 BOGCDABQRQGXPO-RGVLZGJSSA-N 439.379 4.710 30 10 IJEE Oc1ccc2cc(Br)ccc2c1/C=N/n1c(S)nnc1Cc1ccccc1 1874558893 GJNIORHEBPOKKP-WSDLNYQXSA-N 439.338 4.661 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCCO)c(OC)c2)cc1 1874617210 QJKGRRVTAJHJGC-RUDMXATFSA-N 435.314 4.514 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)c1 1874696050 GDJUDWWWKHHLKH-ZRDIBKRKSA-N 432.472 4.893 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] 1875116566 HULPYQNZOMOAJJ-UUILKARUSA-N 448.387 4.627 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 1875118534 BKTDXEJNGKXYGZ-XYOKQWHBSA-N 435.407 4.787 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875126870 FQEGJWQMMGDJJK-ZRDIBKRKSA-N 432.388 4.547 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1F 1875152941 MYBLPIWVLUPUFC-CSKARUKUSA-N 428.456 4.843 30 10 IJEE CN(CC1CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1)c1ccc(C(F)(F)F)cn1 1891363317 IBXJIGDLFLTQKR-UHFFFAOYSA-N 449.370 4.645 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCC#N)C1 1900607450 NBRBULKVUJMUDB-CJAUYULYSA-N 445.563 4.702 30 10 IJEE CN[C@@H](CC#CC1CCCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1944819257 JPKFZZIFFWVRNF-BJKOFHAPSA-N 427.633 4.574 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)cc(Br)c1 1985091089 DVQJCALJMWDDNY-ZDUSSCGKSA-N 448.155 4.620 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2037991498 XYUHBPWEQUDODR-JZTSUELASA-N 436.640 4.647 30 10 IJEE CC(=O)Oc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080077545 GJXXYODBGCWHQU-LJQANCHMSA-N 434.334 4.892 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(CCOC)CCCN1C(=O)OC(C)(C)C 2082241191 VKZFQEOZSOWACJ-OZXSUGGESA-N 446.632 4.934 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(C)cc1Br 2116838284 GABZKHSBKRMSFE-FUHWJXTLSA-N 427.358 4.854 30 10 IJEE C=C[C@@]1(Oc2ccc(N)c3cc(Br)cnc23)CCN(C(=O)OC(C)(C)C)C1 2198944936 ZWSZZZRDSJMBEL-HXUWFJFHSA-N 434.334 4.524 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3ccc(Cl)cc3Br)c2)OC1(C)C 2199711944 VQKRTBDXWOCEKU-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Br)nn2CCC)C1 2232455678 PAXJFWPIOCVJDK-QGZVFWFLSA-N 441.414 4.710 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](Oc3cc(Br)cnc3C#N)CCC[C@H]2C1 2233836256 JTHWYGLMDFIISF-LXZKKBNFSA-N 436.350 4.520 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C12CCC(CC1)CN2C(=O)OC(C)(C)C 2235749658 MDZITMAMQKPQFC-UEUGHCDMSA-N 433.390 4.568 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(F)F)cc1Cl 2255829383 OEHJTGKUSUCOGN-UHFFFAOYSA-N 449.734 4.855 30 10 IJEE C=C(COCc1ccccc1)C1(OCC(=O)O)C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 2262204170 HIJMWPMPQDSMFJ-KEVCNVLYSA-N 445.556 4.551 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)N(Cc3ccccc3)Cc3ccco3)c2)OC1(C)C 2267634357 HRALXELPJSLTEZ-UHFFFAOYSA-N 432.329 4.813 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)ns2)OC1(C)C 2282596299 AXYCPWPVACUDOT-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE C=CCC1(COc2oc(C(=O)O)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2287724991 NTUGSUVPNVBEAZ-UHFFFAOYSA-N 444.322 4.713 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(N)C#Cc2ccc(Br)cc2)C1 2296220281 WLSMOLOXTXNBNS-SFGWALBWSA-N 433.390 4.555 30 10 IJEE CC1(C)CC[C@@](O)(C#Cc2cccc(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2296221562 JUUFAVVOYVHFJN-VGSWGCGISA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](O)C#Cc3cccc(Br)c3)CCC[C@H]12 2296233544 YMEFBCPFIHNKNQ-CNNODRBYSA-N 434.374 4.731 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296276702 KVEVDEOCLGEQLJ-UFYCRDLUSA-N 436.390 4.691 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2296280087 WLQSZXJNOWDLNP-GCJKJVERSA-N 433.390 4.616 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H](C)C[C@H](C)CN1C(=O)OC(C)(C)C 2296280906 FPVFKTYYZGRRPS-FEHORTKBSA-N 435.406 4.670 30 10 IJEE CC(C)[C@@](NC(=O)OC(C)(C)C)([C@H](N)C#Cc1ccc(Br)cc1)C(F)(F)F 2296303581 XUVLLGNBDVWGJV-CRAIPNDOSA-N 449.311 4.610 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 2297741123 VRNCCTZLJRPATN-DEOSSOPVSA-N 443.547 4.827 30 10 IJEE CCOc1cc(C=C2SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)ccc1O 2314819294 XLRMRLOXSHCZMZ-UHFFFAOYSA-N 447.516 4.891 30 10 IJEE C#CCN(C[C@@H](NCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2315459837 DAJGOIFFLHCVNM-OAHLLOKOSA-N 433.749 4.763 30 10 IJEE CCCSc1nnc(CC)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2321027693 GKDYVZODTDGWEZ-UHFFFAOYSA-N 441.395 4.783 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2321985516 IQOGRBAKTZIEQZ-UHFFFAOYSA-N 445.446 4.581 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4OC)ccc3C2=O)cc1 2323767604 WVMCHPATSXKDLY-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2324406108 YOVUGMZJMOTBQG-INIZCTEOSA-N 443.455 4.746 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OC)c1OC 2325514196 SYYKAWBEQICDCJ-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(OC)c(O)c1 2326541093 QZTRNSKZNGFEKX-UHFFFAOYSA-N 444.944 4.693 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(O)c(OC)c1 2327208132 SHPUIBJOBTXYDJ-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)c1 2330785854 FSSMUHZXSPVVGD-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C(C)C)cc1 2331703699 RLPCGVAORWSQGK-UHFFFAOYSA-N 427.618 4.948 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)cc2)c(OC)c1 2331717145 WCFRCXZWHKZZIE-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1 2331747130 ULPLXNMHJKVETG-HXUWFJFHSA-N 445.855 4.546 30 10 IJEE Cc1cc(Oc2cc(Br)cc(I)c2)nc(C)c1C#N 2338664365 DGMDTKFRUOFKPN-UHFFFAOYSA-N 429.055 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2339547538 RDCXINPGSXLPSA-HOYKHHGWSA-N 441.381 4.538 30 10 IJEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585572 QRZZEWGFDIHVTH-LJQANCHMSA-N 444.381 4.822 30 10 IJEE COC(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)C(C)(C)C 3441168 LHHLMBZRUFPUAW-UVTDQMKNSA-N 436.258 4.789 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)s1 35568500 FODCKDZAKJPKRE-UYAOXDASSA-N 440.565 4.641 30 10 IJEE CN(C)c1ccc(/C=N\N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 47139197 VVJZTPJYNQUGQZ-QXZAMSPYSA-N 446.532 4.558 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59310742 TXJQCEJRRYNGEB-LGJNPRDNSA-N 442.564 4.679 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 62897811 SXZNGLWABUEYHA-UHFFFAOYSA-N 440.887 4.836 30 10 IJEE CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)cc([N+](=O)[O-])c1O 101013476 OJGDLVSMHUCHBH-STCVOBJUSA-N 433.873 4.586 30 10 IJEE CCc1ccccc1N/C=C1\C(=O)c2sccc2N(Cc2ccc(F)cc2)S1(=O)=O 105337512 YTEYLGKMSLAACG-DEDYPNTBSA-N 442.537 4.936 30 10 IJEE CCCCCCCCCCCCCCCCCC(=O)NCC[N+](C)(CCO)CCO 163694654 LCLCYUOSXLMHPA-UHFFFAOYSA-O 429.710 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(OC)c2)cc1 169929018 VFAUGCBFRQCQDM-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972447 YUTHKUSNCSRQEE-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 170050076 SJINSSFRAMAJNL-QHCPKHFHSA-N 443.455 4.597 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccc(O)c1 170082790 VTZWROICWGSIPX-HSZRJFAPSA-N 435.426 4.772 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccco3)nc2c1 170098472 HMGXKUNPXSPMJW-OAQYLSRUSA-N 439.427 4.993 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c(C)c1 170102752 VJFVJQBFOUCZOQ-HSZRJFAPSA-N 449.478 4.865 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(C)c2)cc1C 170148298 AIMKRHFKYLWZLA-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccnc1 170196986 XKWBMUNYDRCVJA-SFHVURJKSA-N 447.318 4.918 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccncc2)c1C 170203160 RASGJXWOFTXDAH-XMMPIXPASA-N 440.499 4.806 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)c(Cl)c1 170219813 MPPKPLIUIGBKOY-FQEVSTJZSA-N 429.900 4.741 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccco2)cc1 170280729 SKPDXBBMIQSPNC-JOCHJYFZSA-N 441.524 4.852 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(C)o2)cc1 170301099 OZMPJIYLZHILNI-QFIPXVFZSA-N 433.460 4.865 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)o2)cc1 170307635 GGRCPDAOVHYVQU-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE CCC(CC)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(OC)c1 254480817 LMHXWKAWPFYCDH-HXUWFJFHSA-N 425.554 4.844 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1CC 407426567 SHRJULRGZGIVFP-JKSUJKDBSA-N 429.403 4.566 30 10 IJEE CCc1ccc([C@@H]2C[C@@H](C)CCN2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 437709086 OHJWGUWUYMFDRG-GUYCJALGSA-N 426.460 4.894 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(C3CC3)n2)nnc1-c1ccc(Cl)cc1 498148624 WSKDAPIUOZCDIT-UHFFFAOYSA-N 425.945 4.788 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@@H]12 504240378 ZXKJZOJZCOHWGC-GPUWNAPISA-N 429.004 4.776 30 10 IJEE biogenic C=CCn1c(SCC(=O)NCc2ccc(SC)cc2)nnc1-c1ccc(Cl)cc1 511375653 CYQAMMVOVMQEMJ-UHFFFAOYSA-N 445.013 4.915 30 10 IJEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(F)c3)C2=O)cc1 526660427 SBNISHTUBXLVOR-UHFFFAOYSA-N 429.476 4.995 30 10 IJEE CCn1c(C)c(/C=N\n2cnnc2SCc2cccc(C(=O)OC)c2)c2ccccc21 526826494 RZMXIKUGRGIAQP-MXAYSNPKSA-N 433.537 4.522 30 10 IJEE C=CCc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc(OC)c1OC 549175529 HJAKQKDOEIITHI-GOSISDBHSA-N 426.479 4.696 30 10 IJEE N#Cc1cc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1F 552426629 SLOJPQSGCIYIHH-KRWDZBQOSA-N 446.322 4.949 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccc(F)cc1 556318445 FRZOZXCHSZXFPM-OAHLLOKOSA-N 448.527 4.780 30 10 IJEE Cc1ccccc1OCCCC[S@](=O)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 586348414 LYXMBDDEWVFMNX-DFYVNMARSA-N 444.622 4.599 30 10 IJEE COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N 609379141 VOZXUTJNTIODJS-LBPRGKRZSA-N 441.372 4.510 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C 642252613 JYDWLEUERLMNKY-FQEVSTJZSA-N 434.609 4.973 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C2)cc1 698982578 BZFDRKVXXJJNEU-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE N#CC[C@H](c1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 700360820 WFEUMBFZYYQKCA-KOSHJBKYSA-N 426.472 4.676 30 10 IJEE C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735230202 GDZGJTMXNIMRCT-LJQANCHMSA-N 438.698 4.516 30 10 IJEE COc1ccc(CCCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740038524 LNGCMKBGVNTYNY-UHFFFAOYSA-N 435.549 4.736 30 10 IJEE CCCc1cc[n+](/C(C(=S)NCCc2ccccc2)=C(/O)c2ccc(C#N)cc2)cc1 762445231 KBCBHIBBAPLWAS-UHFFFAOYSA-O 428.581 4.842 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1OC 771045477 BBGZLJSYMHMZFB-LJQANCHMSA-N 446.544 4.717 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 806331600 ODKFLWBSQFFVQG-GDLZYMKVSA-N 428.480 4.702 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1ccc(Cl)cc1 810210716 BYEPXVCUSRDSIG-QGZVFWFLSA-N 435.833 4.678 30 10 IJEE COc1cccc(NN=C2C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2C)c1 1084408147 JVLPRDHTCQQRIX-UHFFFAOYSA-N 425.901 4.663 30 10 IJEE Clc1ccc(-c2nnc(CSc3n[nH]c(NN=Cc4cccc(Cl)c4)n3)o2)cc1 1084525097 OYRSIGUJKXSMEO-UHFFFAOYSA-N 446.323 4.900 30 10 IJEE N#Cc1ccccc1OCc1nnc(-c2cc(OCC(F)(F)F)c3ccccc3n2)o1 1118065380 MFCPCIKRVFTGQL-UHFFFAOYSA-N 426.354 4.677 30 10 IJEE C=CCCOCC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1125044927 YGHUQNHDJFLJHY-IBGZPJMESA-N 439.408 4.863 30 10 IJEE C=CC1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)CC1 1126181863 RQECFTXMSMKOTB-BVAGGSTKSA-N 432.564 4.913 30 10 IJEE C#CCN(C(=O)C[C@H]1CCc2ccccc2C1)[C@H]1CCOc2ccc(Br)cc21 1126228968 LSPHUFBAPYWSCQ-JTSKRJEESA-N 438.365 4.930 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CCCC1(C)C 1128572655 BYDMYJNUGGANDB-NRFANRHFSA-N 428.960 4.788 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)c1ccc(I)cc1)c1ccc(Cl)cc1F 1129738834 MBNDOEMBOOKAGC-PIGZYNQJSA-N 441.671 4.678 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1131106170 PIPZMIZBHVITEI-ZJSXRUAMSA-N 440.609 4.832 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl)C(C)(C)C 1131324502 ISBNAMRKYIDYPF-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 1137809132 TXDCSYGHOGAELP-AEFFLSMTSA-N 436.984 4.743 30 10 IJEE C=CCC1(NC(=O)Nc2nc3ccc(I)cc3s2)CCCC1 1216807823 VBOPCGRKRKCSTE-UHFFFAOYSA-N 427.311 4.911 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc2cc(C(=O)OC)sc12)c1ccc(Br)cc1 1218774313 SVPFVHVUOHFWGG-OAHLLOKOSA-N 443.322 4.946 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1c(C)nn(C)c1C)c1ccc(C)c(C)c1 1264254872 FXHGZBUDVNTEKP-UHFFFAOYSA-N 433.552 4.831 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)cc1 1272015171 MHODPEROCWWYGJ-QFIPXVFZSA-N 430.589 4.979 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1nc(-c2ccccc2)no1 1275389209 HBHPBUATCLCYJY-UHFFFAOYSA-N 428.286 4.635 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cl)c(Br)c1)c1ccc(Br)cc1 1275475009 UGEXTMAWVTWNQB-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286415571 HEHJMFLPZCLDRU-VQTJNVASSA-N 444.501 4.840 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1Cc1nc(C(C)C)cs1 1286455994 KTVHRKCLIBCBHQ-UHFFFAOYSA-N 446.555 4.747 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1csc(C)c1 1286457635 SMHSYXDYHSJOKU-QGZVFWFLSA-N 444.988 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C(C)(C)C)n1 1286518609 XFJWNFKPQAPPOZ-RUZDIDTESA-N 444.608 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCSC1 1286518763 JMZUZNJDJBDPQX-IUKKYPGJSA-N 428.577 4.693 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccc(C)o1 1286584975 YYZZFMJZELFJMU-INIZCTEOSA-N 430.350 4.865 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(Cn2cccn2)CC1 1286601619 RGIKPMCKCQDGJZ-UHFFFAOYSA-N 448.615 4.844 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1286640175 GYSJTTTVOKQANK-UWJYYQICSA-N 430.980 4.825 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc(Br)cc2C1 1286687577 QLSUGAVIIIGTDH-GOSISDBHSA-N 445.405 4.854 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccncc1Cl 1286718703 BAKFWGOZJAVCLE-UHFFFAOYSA-N 432.753 4.735 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccco1 1286738751 BSKIXUBTPYMPBO-VWLOTQADSA-N 448.523 4.548 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1ccncc1Cl 1286739185 SEDVWQFMOQFLEY-UHFFFAOYSA-N 425.964 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@@H]1C(C)C 1286748275 UTJIZPJIAMGNNP-NFBKMPQASA-N 437.563 4.676 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1286828664 PSDVZMAPYRESLD-UHFFFAOYSA-N 425.602 4.739 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1287358435 CMNIXWKOPJEAPM-SFTDATJTSA-N 436.648 4.741 30 10 IJEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1291077367 AMMXBHHUEBCJPX-YDFBLROQSA-N 448.398 4.933 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1(C)C 1291105195 GIVYLOYLTGNQDU-QHAWAJNXSA-N 434.632 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cn2ccc(C)cc2n1 1300286739 NQHCZMROYBIZTI-OAHLLOKOSA-N 439.350 4.714 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1300372143 NZDXIABSQYRLIK-QZTJIDSGSA-N 445.405 4.905 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)[C@@H](C)CC 1300603351 PMWMWRSFZRSXDI-SFHVURJKSA-N 436.629 4.567 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1300743095 YKJVWFFIUYZLJY-VQTJNVASSA-N 445.032 4.749 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1300829411 BVUMXBIFDKANKB-VXGBXAGGSA-N 440.183 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[S@](=O)C(C)(C)C 1300901533 ZURKNKWQOWMVHF-QJWGWKRISA-N 446.661 4.985 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1300936524 DFMPGNZIWCTORG-DYVFJYSZSA-N 439.785 4.798 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)cc2OCCCOC)CC1 1301086066 GIYBMTWDRRYXDY-UHFFFAOYSA-N 426.605 4.795 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@](C)(O)C(C)C)CC1 1301105094 CTHAOZSYLNAFGY-NLFFAJNJSA-N 426.605 4.844 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC=CO2)CC1 1301114359 PYSSXKDXSPUZIM-QGZVFWFLSA-N 447.352 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301142191 XRSBWGQEXXCWQX-RUZDIDTESA-N 440.588 4.918 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301155767 UYYVVWJXKQOURR-INIZCTEOSA-N 441.567 4.606 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301198740 QDPUGGLHOJDCKU-HKUYNNGSSA-N 438.494 4.678 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1cccs1 1301218353 NDNIZUPUYJXIAM-KRWDZBQOSA-N 448.596 4.900 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCN(CC)C1 1301374949 HPBALQGDQDYBLN-RTBURBONSA-N 425.646 4.652 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCOCC1 1301375948 URTBCMLBILIGGS-UHFFFAOYSA-N 431.378 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCN(C)C(=O)OC(C)(C)C 1301384570 RDTPAXJPDXTCOS-UHFFFAOYSA-N 448.571 4.539 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1301600532 BYUJKCRERCYKKE-CHWSQXEVSA-N 439.448 4.923 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)c2ccccn2)c1 1304166685 FDXUCRDKVVWYRL-FQEVSTJZSA-N 432.572 4.585 30 10 IJEE C=CCN(Cc1cccc(Br)c1OC)[C@H](Cc1ccccc1)C(=O)OCC 1308687380 AJWJCGKOYJXMQY-HXUWFJFHSA-N 432.358 4.620 30 10 IJEE COc1cccc([C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)c2ccccc2Cl)c1 1309197687 DOWCQPLNAUWAHK-NRFANRHFSA-N 447.343 4.942 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 1309216224 GCHDMYXOWYIVCB-LOSJGSFVSA-N 432.545 4.726 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(NC(=O)OC)cc1)c1ccc(C(F)(F)F)cc1 1309333526 BYBDAVYIPRREJE-SFHVURJKSA-N 442.459 4.870 30 10 IJEE COc1ccc(CCNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 1310583324 HSCBFZUJIXYAQT-MRXNPFEDSA-N 438.343 4.998 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1312840439 IKOWNAMNQJBITL-MISYRCLQSA-N 431.552 4.559 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 1352719365 LEXVUFHNASZFDN-UHFFFAOYSA-N 448.485 4.627 30 10 IJEE COc1ccc([C@@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c2ccc(F)cc2)cc1 1355457159 IFDSENHMJKSDKY-VWLOTQADSA-N 440.478 4.720 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 1357728928 LRIBDZCGBXKWMF-UHFFFAOYSA-N 445.437 4.971 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(CC)c(CC)c2)c(C(=O)OCC)c1C 1357818701 WXDFURHWDHCCDS-UHFFFAOYSA-N 429.538 4.953 30 10 IJEE C=CCc1cc(CNC(=O)CSc2cccc(Br)c2)cc(OC)c1OC 1358049307 OSWIHYORQAZLIG-UHFFFAOYSA-N 436.371 4.603 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCOC(F)(F)F 1358897281 WPCJMLGFKZZEGW-QGZVFWFLSA-N 438.494 4.673 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CCOC(C)(C)C 1359018880 FIDPBSLAFLKEAE-UHFFFAOYSA-N 447.004 4.714 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H](C)c1nccs1 1359050034 DLTHLOYESUFEFS-OAHLLOKOSA-N 432.018 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)N[C@H](C)CC 1359108893 HLQWBPPNHBPBGD-GOSISDBHSA-N 443.661 4.983 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1359164045 CLDBHQWNABDYKP-AZUAARDMSA-N 429.609 4.738 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](Cc2ccccc2)OC)CC1 1359169354 DRPOHRRRJIULRS-DNVJHFABSA-N 438.616 4.611 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(CSC)c2)CC1 1359172735 GLMYUOJIHHHFJR-UHFFFAOYSA-N 441.645 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359190745 BJFWTKFYIWNSAM-QUCCMNQESA-N 445.652 4.963 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 1359195002 FGRPOJSHCPHUJL-LJQANCHMSA-N 436.522 4.730 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1359203988 ZUOVEMVGNFKMDB-HXUWFJFHSA-N 440.588 4.585 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C(C)C)CC1 1359206179 WYRNKFLDNYSEQQ-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC(C)CC1 1359260232 XKWWJTDATZDENS-HXUWFJFHSA-N 436.579 4.725 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)nn(C)c1C 1359267063 UCDHKWZAECTILJ-SFHVURJKSA-N 440.979 4.649 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCc2cccc(C)n2)C1 1359312888 CEQXHMACZBKRFF-RPWUZVMVSA-N 431.584 4.547 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[C@@H]2C)C1 1359317725 OUJJQBPTXHPWQE-SESVDKBCSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS[C@@H](C)[C@H]1C 1359338192 OGMHLIDYELWPCC-SJORKVTESA-N 440.642 4.585 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1359341697 FMIPJJPTYYMNOA-UHFFFAOYSA-N 433.021 4.606 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCO[C@@H]1CCCC[C@@H]1C 1359469386 DCIIZBWKUQRCRN-GQIGUUNPSA-N 433.959 4.929 30 10 IJEE CC(C)OCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1360396265 CDSFXDNROHQNLG-VGOFRKELSA-N 431.968 4.627 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(OC(F)(F)F)cc2)o1 1361197945 CJFZQGPGLIGJAZ-UHFFFAOYSA-N 431.418 4.533 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)CNC(=O)CC2CCCC2)cc1 1451652627 DEJZEKXANVSBDV-UHFFFAOYSA-N 427.957 4.998 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 1457087712 DVTYWGLMKBYXMK-IDISGSTGSA-N 439.559 4.778 30 10 IJEE N#Cc1c(N[C@H]2CCN(c3ccccc3OC(F)F)C2)nc2c(c1C#N)CCCCCC2 1458177717 DSBNKPIEKDBTCN-INIZCTEOSA-N 437.494 4.776 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)c1ccc(Br)cc1 1460784424 JKTWIEAVAZTVIC-ROUUACIJSA-N 433.143 4.732 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1467613643 KOINFCKMLUMLCA-SFTDATJTSA-N 428.001 4.698 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 1468454355 IIQAOGKEUVLIDX-YLJYHZDGSA-N 435.406 4.931 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1cc(OC)c(OC)cc1Br 1468573044 DYIISMLGHIKEDX-UHFFFAOYSA-N 449.345 4.686 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccccc3F)C2=O)nc2sc(C)c(C)c2c1=O 1472929476 XBQDZMFSCHSPEO-QGZVFWFLSA-N 443.569 4.688 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@H]2Cc2cccc(Br)c2)cc1 1473569843 SQGCQTIXUAQNRF-QFIPXVFZSA-N 425.370 4.856 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](CN(C)C)c3cccc(C(F)(F)F)c3)cc2n1 1477121785 CDZAXWRZRUIHHH-FQEVSTJZSA-N 431.462 4.666 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507538043 ZKCRORWKJOOJHW-QHAWAJNXSA-N 442.051 4.738 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1507555314 MDRQMGCEEAKRAQ-ICSRJNTNSA-N 440.588 4.789 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCSc1nccs1 1507761260 FCTCVIDBXKJOKT-HXUWFJFHSA-N 445.017 4.625 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1507814061 BKKVDJDKNCLDGX-KBMIEXCESA-N 439.604 4.587 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1CCC[C@H](C)C1 1507816504 NZGOFDMUCHIESZ-SFHVURJKSA-N 431.028 4.906 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1507838538 CYISLCXLLJQNEF-ZIAGYGMSSA-N 437.407 4.597 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)COc2ccccc2OC)CC1 1507905950 DNWDEQLEKRFVFX-LJQANCHMSA-N 447.583 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1507913998 DIRSGGWNXWCDRC-JKSUJKDBSA-N 438.601 4.526 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C=C)CC1 1507928740 IBLPTFPHMUUDMI-UHFFFAOYSA-N 427.980 4.620 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ncc(CC)s2)C1 1508116964 POPPSOCIJNEMOL-OAHLLOKOSA-N 447.967 4.586 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)CC(C)C)ccc1Cl 1520147359 SYBPXNVLJINHOS-QGZVFWFLSA-N 434.989 4.886 30 10 IJEE COC[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 1521955095 FYFNSCRXUDAGQL-QFIPXVFZSA-N 434.923 4.951 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cc(Cl)c(I)cc1OC 1522908246 ZDHGJCVAIGZJCS-UHFFFAOYSA-N 447.725 4.843 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)C[C@H](C)n3cc(Br)cn3)c2C#N)C1 1523678122 CBXGZNCENFTJSH-QWHCGFSZSA-N 435.391 4.929 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 1525731380 XHWDPVMTWUMCQS-LEWJYISDSA-N 430.593 4.547 30 10 IJEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C#N)c2C)cc1 1526122780 USXQIQULJWMTAR-HNNXBMFYSA-N 429.314 4.557 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)c1ccc(Cl)cc1 1528062364 ZRIATDGNBGUXQK-ZCYQVOJMSA-N 432.951 4.667 30 10 IJEE C#C[C@H](NC(=O)c1cnc(-c2ccc(OC)cc2)s1)c1ccc(Br)cc1 1528082388 XJPAOWMCRFVYGN-KRWDZBQOSA-N 427.323 4.686 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)CCCN1C(=O)OC(C)(C)C 1538318056 GUVKMZXYQPWBEP-NPMXOYFQSA-N 434.964 4.798 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1539071533 WCQJYKZADSXVCI-RTWAWAEBSA-N 430.543 4.590 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1539115642 FTLHGXDGKOAOJI-UHFFFAOYSA-N 446.599 4.522 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CC(F)C1 1539527051 SBSPGEYVKDFDEW-UHFFFAOYSA-N 444.620 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1539556615 TUWITMYFGWYNIN-XZWCOCNFSA-N 428.621 4.742 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1539603168 MSCZIYIPENJBIR-MRXNPFEDSA-N 439.423 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(OCC)CCCC1 1539670142 XSIWVORKQRZRNH-OAQYLSRUSA-N 426.561 4.542 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(CCCC)CCOC 1539693716 VTVHRXXJWXYZLY-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1539758591 OZTCHVVYLSGEAD-JOCHJYFZSA-N 444.645 4.644 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCN(CC)CC)CC1 1539828879 QKDGUTLOGJCZOY-JOCHJYFZSA-N 425.621 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1539908846 CFASELZOFOKAQC-MOPGFXCFSA-N 445.970 4.587 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2nccs2)C1 1539988745 BYFNQUCVIUGEDE-SFHVURJKSA-N 445.976 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21 1540119368 CIKIUQBMQFSBEB-JOCHJYFZSA-N 443.599 4.722 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(SC)CCC2)C1 1540883908 GWOXZNKLEVGDGS-LEWJYISDSA-N 426.630 4.887 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCO[C@@H]2CCCC[C@@H]2C)C1 1540888512 RITLHQFCYYBGPF-NNMXDRDESA-N 445.007 4.975 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)cc1 1544862968 LKMGYDZIQKAFQT-UHFFFAOYSA-N 436.870 4.954 30 10 IJEE CCCC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1546928874 BQTGYSOBJLRPPM-FXAWDEMLSA-N 443.979 4.771 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC2CCCCC2)C(C)C)nnc1-c1cccc(OC)c1 1559381082 DSKYCSDNZFVVNC-HXUWFJFHSA-N 428.602 4.705 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(C(=O)NCCCN(CC)CC)c(Cl)c2)CC1 1562489080 UQNTVNXGYKMBJF-UHFFFAOYSA-N 435.012 4.670 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCCO)[C@@H]1CCc2ccccc21 1562928968 BXTGLDJVMCXWJF-HXUWFJFHSA-N 445.357 4.918 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 1564081820 IWARDTZIPFGRFT-IBGZPJMESA-N 428.374 4.816 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 1583075728 GEJRSKFUOOOMRI-FOIQADDNSA-N 431.870 4.817 30 10 IJEE C#C[C@H](NC(=O)c1cc2ccccc2n1Cc1ccncc1)c1ccc(Br)cc1 1583565129 BZRHRCSRLIHOKY-NRFANRHFSA-N 444.332 4.951 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1587712075 LQTSTVIDBRIVEF-IBGZPJMESA-N 442.007 4.535 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1587738840 JPBYAWZISPGXRZ-GCJKJVERSA-N 436.581 4.785 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1587837875 KKQPUKXJTSIHOQ-FQEVSTJZSA-N 444.366 4.582 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1csc(C(C)(C)C)n1 1587909144 DREBYCMWBYXGEJ-INIZCTEOSA-N 441.576 4.623 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1589395740 ZIIIDLLKQFAUPN-QFBILLFUSA-N 449.393 4.591 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)C1 1589506523 XLJVGFZWYGEITM-KHYOSLBOSA-N 449.368 4.674 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1cccc(F)c1)C(C)C 1589558981 NECKFDZWWKCHKR-RCZVLFRGSA-N 449.574 4.799 30 10 IJEE C=C(C)COCCn1c(C2CC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1593735422 GCWXWAARHWSBAR-GOSISDBHSA-N 437.357 4.658 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1c(C)noc1C 1595275917 SQGYQNOJCGQECJ-UHFFFAOYSA-N 437.588 4.729 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](SCC)C1 1595658495 FOFNVZBQCGHHGD-NHCUHLMSSA-N 442.629 4.507 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1)C(=O)OCC 1596778081 PJWAOJDJEQCEAV-IBGZPJMESA-N 439.899 4.516 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CCCS1 1611734512 HQLQCOXXNDCAFJ-ZHRRBRCNSA-N 429.565 4.583 30 10 IJEE CC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(C)CC2)CC1 1612728410 DXXLKNWDFFZMKA-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE CCN(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCC(CC#N)CC1)c1ccsc1 1615372514 DNKRIJQOEDGQAK-NRFANRHFSA-N 428.650 4.751 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@@H]1C 1619460252 FMXZERZITVVTCB-HKUYNNGSSA-N 425.602 4.755 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1620252873 AWWKYPMXFMYZNK-FQEVSTJZSA-N 432.597 4.521 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC(C)(C)C1 1620260914 CEYVHZMARJPHSN-LJQANCHMSA-N 440.661 4.517 30 10 IJEE Cc1ccc(F)c(CCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1622141697 BLBBILIVHGZVRV-UHFFFAOYSA-N 429.357 4.693 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@H](CO)CC3CCCCC3)cc2F)c1 1623023735 BEFWNBSWMYLBRS-NRFANRHFSA-N 425.504 4.729 30 10 IJEE N#Cc1cnn(-c2ccccc2NC(=O)c2ccc(CSc3ccccc3)cc2)c1N 1627131801 AKGWSRXUMRQETF-UHFFFAOYSA-N 425.517 4.871 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])c(Cl)c1 1627142080 IYEJUOJVSZRRIG-UHFFFAOYSA-N 443.868 4.526 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 1629278629 VIBKCWSXFJTJQT-UHFFFAOYSA-N 428.554 4.706 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2c(c1)NC(=O)CCS2 1630579036 AQKZUYMPJSBDCO-CYBMUJFWSA-N 433.455 4.694 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3cccc(Cl)c3)c2CC)CN(C(=O)OC(C)(C)C)C1 1634698100 NQNQMTMUMFEGAP-UHFFFAOYSA-N 444.963 4.840 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1CC 1635565286 PIVBACJEERPKGR-OAHLLOKOSA-N 431.758 4.986 30 10 IJEE C#C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc(Br)cc1 1636563367 XSENDIPJPHYHNL-NRFANRHFSA-N 427.342 4.514 30 10 IJEE CC1(C)CN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1641633312 FHRWUJKBSLUDBQ-FQEVSTJZSA-N 428.454 4.987 30 10 IJEE COC(=O)C[C@@](C)(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cccc(OC)c1 1641834940 DYENMLFZLVWUPU-AREMUKBSSA-N 443.503 4.519 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl 1644617652 FTJORCIGAQBVJA-DLBZAZTESA-N 445.387 4.735 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)c1ccc(F)c(F)c1 1645343905 HCQTUFIKCXGPCS-ZSEKCTLFSA-N 448.535 4.783 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 1654620759 HJUJKPWCJFYMAE-UHFFFAOYSA-N 438.524 4.675 30 10 IJEE COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C#N)cc2Cl)CC1 1658457925 DIZYCRNTEYRXAE-LJQANCHMSA-N 438.742 4.555 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(c2ccsc2C#N)CC1 1659411806 DBRHFDVJKLNFDM-GOSISDBHSA-N 448.617 4.920 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C 1659604773 TZQSTSNRQGXHLX-UHFFFAOYSA-N 428.504 4.588 30 10 IJEE CCOc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C(C)C)cc1OCC 1661173519 HPOYJINNAPSABW-OAQYLSRUSA-N 436.961 4.685 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 1662025475 DGDIHNBKWISRCK-KRWDZBQOSA-N 447.944 4.830 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 1663408809 MYDSQYQDUBTRHL-UHFFFAOYSA-N 442.581 4.534 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2ccccc2)cc1 1664988720 HAMWCQKASPGLFG-OAQYLSRUSA-N 446.450 4.654 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 1670422045 BTHDXPVJPDNAMM-UHFFFAOYSA-N 447.560 4.772 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(C#N)n1)CC(C)(C)O2 1672592713 BOIUFZZIZYOXHD-QGZVFWFLSA-N 437.500 4.724 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1)c1ccccc1 1674026443 ZOIVWNJLDMTROO-QHCPKHFHSA-N 433.552 4.756 30 10 IJEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCCc2ccccc21 1677300351 DOJCTHOIESJWSX-ZYLNGJIFSA-N 449.570 4.662 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccnc(Oc2ccccc2)c1)c1ccc(Br)cc1 1682356326 FMAOHDSJAFNRNO-HXUWFJFHSA-N 436.309 4.810 30 10 IJEE C#CCN(C(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1687355886 POIYDQRSNKTECQ-WMZHIEFXSA-N 439.600 4.744 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1689937367 XWCIDIRSSGPOAB-DHIUTWEWSA-N 436.600 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCCOC 1690198120 CZBIGKWQFFJGCP-RUZDIDTESA-N 434.540 4.536 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC[C@@H](OCC)C(C)C 1690211305 YCZZRCGLUXELMA-ZEQKJWHPSA-N 438.616 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1690212735 RTZKKNLAVKAGPC-HSZRJFAPSA-N 439.510 4.546 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)C[C@H](C)C1 1690223097 DUENHIUSUWGTPW-STQMWFEESA-N 439.785 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)C1CC1 1690240085 BNHMQNQKAVPZHH-XXBNENTESA-N 440.588 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(F)(F)CC1 1690251717 YGYGPYMIQZWDRJ-DENIHFKCSA-N 446.542 4.691 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(CC)C2CC2)CC1 1690402956 WJUGKOALAOQFPC-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1690414731 IGKYPFMFDOUKMJ-HXUWFJFHSA-N 430.543 4.910 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2ccnn2)CC1 1690454896 ATMNPVSZFLFULI-UHFFFAOYSA-N 443.958 4.602 30 10 IJEE C=CCCCCn1c(N2CCC[C@H]2c2ccc(O)cc2)nnc1[C@]1(OC(C)C)CCOC1 1690467968 NZEALMUBZQSYEP-DHLKQENFSA-N 440.588 4.722 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690475546 WAQNSVGYESECSK-LJQANCHMSA-N 445.405 4.805 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1690549915 MWJSPQZIJPIVRU-DFBJGRDBSA-N 441.595 4.662 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CCN1CCc2sccc2C1 1690579613 PIMCFYLHZWLSDR-UHFFFAOYSA-N 441.670 4.851 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOC[C@H]1C 1690586364 LQQJETGODYWNIU-CABCVRRESA-N 437.407 4.620 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)c1c(C)noc1C 1690613752 SFKQMVSMZDORID-MRXNPFEDSA-N 435.528 4.739 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2Cc2cccc(C(F)(F)F)n2)C1 1692842588 CURDZCSORSJREZ-NRFANRHFSA-N 426.446 4.537 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCC(C)CC1 1705506080 QPXFAUUFMQJWEY-JOCHJYFZSA-N 439.673 4.849 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705521266 WDZZCIOCZMHWLT-HSZRJFAPSA-N 446.599 4.624 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705661802 JHEYBPWVEDMYKG-UHFFFAOYSA-N 448.583 4.559 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705690636 COOXTXVKHCGPHP-SJORKVTESA-N 449.368 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1705706987 CFSPUTIKOGXOLQ-XGAFWQRZSA-N 427.568 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@@H]1C 1705710513 NDWVMOLITBUVTM-RBUKOAKNSA-N 432.012 4.958 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)CC[C@@H]1C 1705733392 SAUFWWBBFGKHAT-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCSC2(CCCCC2)C1 1705794474 JTJSKKIQLZFYIP-UHFFFAOYSA-N 442.677 4.998 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(OCCOC)CC2)nnc1C(C)(C)C)c1ccccc1 1705798737 ZPRPCXFGTPIHDQ-NRFANRHFSA-N 426.605 4.567 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N(C)CCc1ccc(Br)cc1 1705815629 DGBYKVMNBACIQR-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1Cc1ccc(C#N)o1 1705879534 CKGVQEZJMKGHEQ-UHFFFAOYSA-N 427.508 4.518 30 10 IJEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1708036439 ALKSQARDSWOELZ-SPLOXXLWSA-N 434.371 4.543 30 10 IJEE CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1708307105 BMUNVHJVHGMDIX-JOCHJYFZSA-N 430.556 4.534 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1710624709 HVKSJVTXXIVFLR-QHCPKHFHSA-N 445.995 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722298352 BLTWALFYHOFJSL-HBFSDRIKSA-N 434.506 4.992 30 10 IJEE C#CCCCCn1c(N2CCCN(C(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1722322688 MMPBBIVLFKDETP-UHFFFAOYSA-N 433.644 4.862 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1722324269 ODTKPTBJBHYISF-VQTJNVASSA-N 434.540 4.817 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1csc(C)c1 1722406776 VKWMXMXOQMEWIZ-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1722464163 WUWILWUVRDDBSZ-UHFFFAOYSA-N 446.045 4.720 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2C[C@@H]2C)CC1 1722575690 RWHYCSINTRGKFB-WMLDXEAASA-N 431.378 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1722591851 NNXVCXLQCBMSPY-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC2(CCOCC2)C1 1722622202 HNULCAWAOXXGBE-UHFFFAOYSA-N 428.602 4.552 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](F)COC 1722663218 WXDWCSIHOMJDCF-MRXNPFEDSA-N 425.533 4.665 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H]1CCOC1 1722736220 XYGDITAOEHDMHK-CQSZACIVSA-N 435.018 4.958 30 10 IJEE CC(C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1)c1cccnc1 1723123985 DWUZNTAPXGWNEI-OZXSUGGESA-N 446.574 4.730 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1723236702 BAHORSIGYOLPHQ-REWPJTCUSA-N 442.007 4.713 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2)C1(C)C 1728919119 FOBMIWSDRXNBGB-PCCBWWKXSA-N 439.629 4.742 30 10 IJEE CS[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1731055600 BNVMSLJNULJDMI-AUSIDOKSSA-N 445.608 4.694 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCc1cccc(F)c1 1740541441 ZHBJDAYYPHRNSD-CQSZACIVSA-N 447.377 4.999 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSC[C@H]1C 1740568177 ZSBUHKXQOSOVQM-RTBURBONSA-N 428.602 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1 1740728046 KGWBZBUQJZMXLO-YADHBBJMSA-N 426.973 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1740757109 SMVYSHALPYLMMD-UDKICSLYSA-N 426.630 4.819 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(N3CCCC3)cc2)nnc1C(C)(C)C 1740766202 GQEMEKHFMUSRCT-GGAORHGYSA-N 437.632 4.793 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1740813712 GNSJYYCYNJXHFK-OAHLLOKOSA-N 442.901 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740850570 MBHIDRRAEGYOMZ-OAQYLSRUSA-N 426.605 4.753 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC2(CCN(C)C2=O)CC1)c1ccccc1 1740854316 MZUBXTJPNVLVAT-IRLDBZIGSA-N 435.616 4.600 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CCCc1nnc(C)s1 1740921608 BUNYLYWBMYHCCY-UHFFFAOYSA-N 436.610 4.992 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CCSC 1744872410 FCEGVJNAMJLIBQ-UGKGYDQZSA-N 440.661 4.659 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(SC)CCOCC1 1748654853 MHEXLPGCSVQKIK-CQSZACIVSA-N 439.412 4.622 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1748656258 OWQMNVAZRUUKRA-VGWMRTNUSA-N 431.353 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)c1ccccc1 1748902852 VHHJOSLOJRUPRL-QPTUXGOLSA-N 432.612 4.853 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCSCC(C)C 1749079096 XGZSXMNPTPKYAC-XMMPIXPASA-N 426.630 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1749136507 OGAAFGXFMQLSTQ-ZNNUDVHBSA-N 438.616 4.937 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1749218008 GGMZXKZZAXUDQI-PMACEKPBSA-N 432.996 4.831 30 10 IJEE COCC(C)(C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1749271682 DHYQTOXFFRQYNU-DEOSSOPVSA-N 427.568 4.591 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)c2ccccc2C1 1749370138 CTPWNOQVULEZJJ-UHFFFAOYSA-N 436.629 4.693 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749391976 WPJHGPLOXUSREC-ZVDOUQERSA-N 428.552 4.919 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCCN1C[C@H](C)O[C@H](C)C1 1749539175 VTYHJHRXJURMSB-SZPZYZBQSA-N 449.599 4.538 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1749572741 BJYGMXWLBLJING-PMACEKPBSA-N 432.572 4.513 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccncc1Cl 1760099796 LTAKHJAYFUYXTR-QGZVFWFLSA-N 444.970 4.907 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1760130821 MPIOZIKQRKAUMY-ROUUACIJSA-N 429.634 4.927 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760157436 PEXFKOLAWOQECG-QFIPXVFZSA-N 446.599 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760322425 SOCZGBBYPLISCO-DBQGFPOUSA-N 444.645 4.876 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1760379874 KRDJMUXPOWULKD-LJQANCHMSA-N 428.920 4.861 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1760392444 QDEDGIZIZBGJTH-REWPJTCUSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1760401494 KKDVLIWVLZSFIG-FQEVSTJZSA-N 448.514 4.580 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1760412492 LUJIYIPNOFKSEK-ROUUACIJSA-N 430.980 4.695 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCCC2)C1 1760422313 FGZNDPNSBNJKRM-UHFFFAOYSA-N 425.533 4.749 30 10 IJEE C=CCCCCn1c(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C 1760430855 WHDLBEJBWPMCKK-UHFFFAOYSA-N 429.996 4.548 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1CC 1760481964 NMBANWNOLUZODD-OAQYLSRUSA-N 436.991 4.670 30 10 IJEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCC(C)(C)C)cc1OC 1768490170 GPQAPYJSTDEVJV-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE CCOc1ccc(CCn2c(C)cc(OCc3ccccc3C#N)cc2=O)cc1OCC 1857923044 KRNRYXNIFMLXKF-UHFFFAOYSA-N 432.520 4.648 30 10 IJEE N#Cc1ccccc1NC(=O)c1nc(C(=O)Nc2ccc(F)c(Cl)c2)n2ccccc12 1858242807 HLYRVONAXAKNED-UHFFFAOYSA-N 433.830 4.503 30 10 IJEE Cc1nc(SCC(=O)[C@H](C#N)c2nc3ccccc3s2)nc(O)c1Cc1ccccc1 1859433299 RKZNXKMNSGPMSW-KRWDZBQOSA-N 446.557 4.660 30 10 IJEE Cc1sc(NC(=O)c2c3c(nc4ccc(Br)cc24)CCOC3)c(C#N)c1C 1859647561 WHYJDKRLKAZCOH-UHFFFAOYSA-N 442.338 4.872 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)c1C 1860323137 XBOLQLLRMWOCDW-UHFFFAOYSA-N 428.964 4.537 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(C)cc1C(C)(C)C 1862171894 OVOGESCSJGEBAF-XMMPIXPASA-N 448.607 4.599 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(Cl)c2)cc1 1862392167 QVJCELKIITYPPY-OAQYLSRUSA-N 427.928 4.907 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862433011 SFZPYUQEWDUXMX-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862556125 PKXRXCALROJQTG-XMMPIXPASA-N 426.516 4.918 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2F)cc1 1862614438 ARWBCXCCONBVKD-GCJKJVERSA-N 437.511 4.881 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862726258 BLSYHMUFJNVBLI-JOCHJYFZSA-N 427.456 4.650 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(F)cccc1Cl 1862737300 FSQUZPDXCRELSQ-GOSISDBHSA-N 432.835 4.766 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862989584 HARNDCPGGPAVLF-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(C(C)(C)C)cc1 1864160581 YAVWAJPTWCZMQF-HXUWFJFHSA-N 436.600 4.540 30 10 IJEE CC(C)[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(F)cc1 1866972219 YBEXCBANDCZHPR-RPWUZVMVSA-N 429.495 4.933 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868401310 VYEYBGLFOMPRBQ-JOCHJYFZSA-N 430.531 4.677 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CN(CCC)CCCC 1870748843 UIPLZIHKSIWJQV-UHFFFAOYSA-N 439.600 4.626 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C)c1 1871251269 VXGBLUNRQXTAOH-UHFFFAOYSA-N 431.536 4.646 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(CN(C)C4CCCCC4)c(O)cc(C)c3C2=O)cc1 1871393398 JVSXLULHJHCLMB-HMAPJEAMSA-N 435.520 4.868 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCCOc4ccccc4F)cc(C)c3C2=O)cc1 1871417379 QXIJLLOCRVYSLB-UCQKPKSFSA-N 448.446 4.995 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O)C(=O)O 1871422790 DBLXOIUBCJZKQJ-UOIFGXKSSA-N 426.465 4.651 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871441414 CGCSYTAUHYFXLG-CFRMEGHHSA-N 427.456 4.831 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871443045 XHMYOYZTQYMZDE-MFOYZWKCSA-N 444.871 4.878 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871761965 POUIOZYTCDZQOL-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871803421 WYCYFYCIMNDPSU-HXUWFJFHSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872420144 FEOLAGOFLJRQCP-NRFANRHFSA-N 444.597 4.605 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 1872771040 KPAGNYMYWKVSFU-VQFGERMISA-N 432.501 4.803 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874246172 QIKFYNQQTVGVLQ-PXLXIMEGSA-N 425.514 4.501 30 10 IJEE CCCOc1ccccc1/C=N/n1c(COc2ccccc2OC)nnc1SCC 1874289714 SJMYDDHBXXHYDG-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2/N=C/c2ccccc2)cc1C 1874358947 HYHRDNCUJRJAET-AFUMVMLFSA-N 436.581 4.659 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccn1C 1874393926 XDBPAVRTBDLDQP-HIQXPHMNSA-N 446.536 4.851 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874483415 UVOMZLOCKJJZGR-ZMOGYAJESA-N 426.517 4.660 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccs2)c1 1874489526 WLLQAYPQWFXCAM-WSDLNYQXSA-N 427.599 4.768 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCC)nnc1SCC(=O)Nc1ccc(C)cc1 1874503465 IYHAPALLZFUXMY-PCLIKHOPSA-N 449.580 4.717 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CC2)cc1 1874519104 BMDQOQPEPZPZMS-AFUMVMLFSA-N 433.581 4.948 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)cc1OC 1874581632 YLPYHCBBRZXWAJ-BQYQJAHWSA-N 432.900 4.894 30 10 IJEE CCCNC(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OCC)cc1OCC 1874589279 CWGSROLCQOCJEX-YRNVUSSQSA-N 445.943 4.939 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1874610127 CACGTYVUOSWMEE-WUXMJOGZSA-N 440.496 4.527 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1 1874659436 BMRRGMRWLPFJJK-QHCPKHFHSA-N 439.625 4.976 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)cc1Cl 1875186791 CKXYNPNKZSACSI-GQCTYLIASA-N 444.789 4.730 30 10 IJEE CN[C@H](CC#CC(C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997456981 UTYCTCFDCDSHTK-ATIYNZHBSA-N 428.617 4.858 30 10 IJEE Cc1nn([C@@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(I)c1/C=N/O 2078995244 UCMHXIZHJPELFG-RYFGYPJOSA-N 435.309 4.871 30 10 IJEE Cc1cc(O)c([C@@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1C 2079944876 XYSMXQLFNGAQJP-MRXNPFEDSA-N 441.313 4.562 30 10 IJEE CCCc1ccc([C@@H](C)n2nc(C(C)C)c(C=NO)c2I)cc1 2080054261 NXBMUSNLYJHBCA-CYBMUJFWSA-N 425.314 4.981 30 10 IJEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080102819 ZEEXGMWYGJLKBW-HNNXBMFYSA-N 442.235 4.851 30 10 IJEE CC(C)c1nn2c(Cl)c(C#N)cnc2c1-c1c(F)cccc1I 2081226919 FVQBOMDBDMLEBZ-UHFFFAOYSA-N 440.647 4.788 30 10 IJEE Cc1cc(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)ccc1NC(=O)OC(C)(C)C 2124520526 WGJJOIMXTYGRBE-DZFIZOCASA-N 442.365 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2ccc(Br)cc2C#N)(C(F)(F)F)C1 2167681599 ZYICDGCFDHWIME-QGZVFWFLSA-N 448.283 4.922 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174814851 MNRYILCJXGWZSI-DYVFJYSZSA-N 440.357 4.980 30 10 IJEE CC[C@H]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2174815422 SUYIZKHSIJXNFL-DZGCQCFKSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC(=O)Nc2ccc(Br)cc2C#N)C1(C)C 2186214363 OUULJJCKJIKWMJ-CZUORRHYSA-N 436.350 4.589 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)[C@@H](O)c1scc(Br)c1Br 2187473333 IHONCHGVOCDUQG-DGCLKSJQSA-N 439.289 4.556 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)c(CC)nn1C 2192405864 UUWWODBOTCYQQT-DOTOQJQBSA-N 443.430 4.645 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CCNc2ccc(C#N)c(Br)c2F)C1 2205242436 PAHIKLNUARPDMZ-XOBRGWDASA-N 438.341 4.909 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235732811 SPDVJJPKZQFKNM-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@@H](O)C#Cc1ccccc1Br 2235735199 SUVFKKVLGGAMRQ-PMACEKPBSA-N 428.326 4.528 30 10 IJEE C=CC[C@@]1(COc2ncc(Br)cc2F)CCCN(C(=O)OC(C)(C)C)C1 2272148219 HCCJTZQXQXAODD-LJQANCHMSA-N 429.330 4.955 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2278809622 OLWBJXLCRUPYRS-FUHWJXTLSA-N 435.387 4.716 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3cc(F)c(Br)cc3Cl)C2)OC1(C)C 2282972226 MVUUVEAOEVCBGU-LLVKDONJSA-N 446.553 4.940 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(O)C#Cc1cccc(Br)c1 2296225734 YKQWKWARXRYXNR-HTAPYJJXSA-N 434.374 4.637 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2296285427 AODRRCLINVLYOB-AVRDEDQJSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC1CC(CNC(=O)OC(C)(C)C)C1 2296299345 UHZQUAKECYIWOB-QLOJAFMTSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C12CCC(CC1)N2C(=O)OC(C)(C)C 2296307864 ZUVGTOWNDPNDDP-LVIWNVNYSA-N 433.390 4.711 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCN1C(=O)OC(C)(C)C 2296309438 VTTAXWPNKBUVSK-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE C=CCSC1=NC(=Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(OCC)cc1 2297337858 ORPGRQSONMGYHU-UHFFFAOYSA-N 449.576 4.585 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 2307589213 ABPNCVRANUZPKG-ZERDBPEESA-N 433.593 4.999 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2313368912 FCERTWRCJFJYFT-MOUTVQLLSA-N 444.616 4.542 30 10 IJEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 2313602152 UEHHKVVDZRRKPV-UHFFFAOYSA-N 426.933 4.690 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2314028141 GAFNVECGIMQYPI-MJGOQNOKSA-N 445.560 4.974 30 10 IJEE C[C@@H](Oc1ccccc1C=C1SC(=Nc2cccc(Cl)c2Cl)NC1=O)C(=O)O 2314931513 GNMJHSKOVWVOSB-SNVBAGLBSA-N 437.304 4.737 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2317353234 FNLWAKNZWYXNDD-SDNWHVSQSA-N 429.370 4.586 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317353772 JWANXUNUSJYHAB-MQASROKSSA-N 430.354 4.503 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CC2)n1N=Cc1c(Cl)cccc1Cl 2320885540 QTEXHFCYENYCRG-UHFFFAOYSA-N 427.357 4.636 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2N=Cc2ccc(C(F)(F)F)cc2)c(C)c1 2321340017 UQFITCULTYOEMM-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2C)C4=O)cc1 2321997541 FUEMWPFDJSLZNU-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE COc1cccc(CCc2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 2322071773 LHBVXPCACOROGD-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(Cl)c1)O3)CN(CCCn1ccnc1)CO2 2322106985 WKKBYNQNWTYTAY-UHFFFAOYSA-N 435.911 4.703 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1cccc([N+](=O)[O-])c1 2322307657 BZFLCGJGLJPCMI-UHFFFAOYSA-N 448.269 4.585 30 10 IJEE O=C(Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)c1cc2ccccc2o1 2322842600 LAKKRHRKTBTVKV-UHFFFAOYSA-N 426.380 4.997 30 10 IJEE Cc1c(OC(=O)c2cnccn2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2323202986 HANDULBONUPNOC-UHFFFAOYSA-N 427.243 4.927 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1OC(=Cc1ccccn1)C2=O 2323302626 DKIUTRPOTWAKSD-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] 2323631104 RKPSBWQXUFBBSE-UHFFFAOYSA-N 440.496 4.527 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)c1 2324023709 JBUDLFJVNDMIOD-UHFFFAOYSA-N 443.499 4.978 30 10 IJEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 2324035246 PTNQBPRUIIODLU-IBGZPJMESA-N 443.499 4.610 30 10 IJEE COc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3OC)ccc2C1=O 2324471023 IROOAMQBENVKOJ-INIZCTEOSA-N 445.471 4.726 30 10 IJEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC 2325721153 XBNQDNFSLPICHH-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325731666 YPJZGNCTZNFOND-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COc1cccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SC)c1OC 2326038574 VSPMYXSWMCWZJZ-UHFFFAOYSA-N 446.960 4.564 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2c(OC)ccc3ccccc23)cc1 2326783505 UDDYJUIEMGUGKM-UHFFFAOYSA-N 446.532 4.709 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccn1C 2328675356 VKKRTAKIDNTZJB-UHFFFAOYSA-N 449.555 4.724 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(C(C)C)cc1 2330448695 RFNPJLVCEBKYOQ-UHFFFAOYSA-N 442.610 4.981 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1F 2331373270 SZOKSRGKGGNIKR-UHFFFAOYSA-N 439.560 4.890 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CCCCCN(Cc3ccccc3)C2)n1 2337027937 KWDAJMKVJPBXOX-HSZRJFAPSA-N 435.421 4.546 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2339544959 NWWVQPVNWMOIIJ-GOSISDBHSA-N 441.381 4.538 30 10 IJEE C=CCOc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)cc1 9925649 XKSDOMIWVUNSFJ-GOSISDBHSA-N 432.314 4.824 30 10 IJEE CCc1ccccc1OCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1 12241349 UGZQUPFCNLYOEH-UHFFFAOYSA-N 439.519 4.797 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)NCc2cccnc2)n1 14157746 GOHAUWXDBDBJFV-UHFFFAOYSA-N 444.326 4.585 30 10 IJEE Clc1ccc(/C=N/Nc2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)n[nH]2)cc1 20833573 HPXRJZOMIYCJGL-ZVBGSRNCSA-N 446.323 4.900 30 10 IJEE Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc1[N+](=O)[O-] 21255728 CFKJPDHLQRMEGG-CTNGQTDRSA-N 448.519 4.942 30 10 IJEE COc1cc([C@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1cccc(C)c1 35531325 RTXUUVKRPWZDCW-VQIMIIECSA-N 427.547 4.797 30 10 IJEE C=CCc1ccccc1OCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21 40184003 QZACEPVFJLLSRT-UHFFFAOYSA-N 440.547 4.901 30 10 IJEE N#Cc1cccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc(Cl)cc4)nc32)c1 44441651 SRPNOUJYIPJVJW-QGZVFWFLSA-N 436.924 4.979 30 10 IJEE Cc1ccc(C(=O)/N=C(/NCc2ccccn2)Nc2cccc(Br)c2)cc1C 46126721 UUIMXWDBYSCJQF-UHFFFAOYSA-N 437.341 4.859 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(C)cc2)n1 59019619 QZPJJHJSHQMOEI-LPYMAVHISA-N 440.598 4.792 30 10 IJEE CCCOc1c(Br)cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1OC 96767084 AKJHUSXCHXDLLF-XQRVVYSFSA-N 433.298 4.914 30 10 IJEE COc1ccc2c(c1)N(C)/C(=C1\S/C(=N/c3cccc4ncccc34)N(C)C1=O)S2 106210209 OINHRKULVZOCGK-FZBJWRKTSA-N 434.546 4.847 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccccc2F)cc1 108119080 UOUANPRDIDIDAM-RKKARLDVSA-N 445.446 4.629 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2OC)cc1 165870531 MVBCUACASUBGIH-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(-c2csc(N/N=C\c3ccc(O)c(Br)c3)n2)c(OC)c1 169942121 DUHQLVRTVBGOMP-UKWGHVSLSA-N 434.315 4.741 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccc(O)cc2)cc1 169959546 CTGHVJPRQDQMAG-QHCPKHFHSA-N 447.462 4.885 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccccn2)c1 170000006 TUMJBVTVINBILK-JOCHJYFZSA-N 438.487 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c(OC)c1 170140538 ADBKFXSCDJZJJK-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1cccs1 170160041 IQFVEGVAEQJGHE-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccs1)c1ccc2c(c1)CCCC2 170163453 GSFTVZCFIPDOID-QFIPXVFZSA-N 430.529 4.800 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1ccccc1 170227495 KWKGNICQKWAPPG-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccccc1F 170252565 JOBMDGFNPNMZEF-FQEVSTJZSA-N 447.890 4.875 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1C 170274943 YOLDEMRUDBVQDJ-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1cc(/C=C2\S/C(=N\N=C/c3cccs3)N(Cc3ccco3)C2=O)ccc1O 210559012 UDCGJFJKTMWWLO-OKHNFXMLSA-N 439.518 4.562 30 10 IJEE COc1ccc(N=C2S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)N2C)cc1 252620162 LYMITISHXLHCNP-HNNYNVTISA-N 434.477 4.628 30 10 IJEE Cn1cc(CN2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(C(F)F)n1 462905943 LQIINNSEFACECJ-AWEZNQCLSA-N 443.338 4.969 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)Cc1c(C)c(C)c(C)c(C)c1C 507530180 KSVMFCHKUMXKCO-UHFFFAOYSA-N 439.581 4.559 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 508489800 OSCSCDPHLSYJSU-LEWJYISDSA-N 440.906 4.511 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](c2cccs2)C1 508491380 SUOTZCXKJVEYKF-FXAWDEMLSA-N 440.569 4.642 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2OC)c1 516677117 PGTYXGWKXVJEDS-TZYHBYERSA-N 434.536 4.672 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)NCc3nc(-c4ccncc4)cs3)c2)cc1 522387969 OHTUJHBHKOQXDG-UHFFFAOYSA-N 426.501 4.586 30 10 IJEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526663516 NYKZLZSQDYINPC-UHFFFAOYSA-N 436.496 4.728 30 10 IJEE CC(=O)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)cc1 526744094 JGDRNOCFEGCFAP-QFIPXVFZSA-N 449.409 4.673 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cccc(OC(C)C)c1 526828113 XUUKMVZWFZKUNQ-OYKKKHCWSA-N 438.553 4.589 30 10 IJEE N#Cc1c(NC(=O)C[S@](=O)Cc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 526859740 YHDPYOOPERYJGA-AREMUKBSSA-N 427.378 4.693 30 10 IJEE Cc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1NC(=O)c1cccs1 533941175 CJDBOIKIKNFTQU-UHFFFAOYSA-N 445.544 4.864 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 540486110 UQPWSOGMQPTMAW-YCRPNKLZSA-N 436.524 4.502 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 555241068 YFWVCJHABNPMQX-IBGZPJMESA-N 444.505 4.810 30 10 IJEE Cc1ccc(CCCC(=O)N[C@@H]2CCN[C@H](C(=O)/C=C/c3ccc(C(C)C)cc3)C2)cc1 585841220 SDINIBFWLNPNRU-WDXRYWIVSA-N 432.608 4.960 30 10 IJEE O=C(C(=NN=Cc1ccccc1I)c1ccccc1)c1ccccc1 606346915 BJJXBRGIOGSDRT-UHFFFAOYSA-N 438.268 4.997 30 10 IJEE N#Cc1ccc(F)c([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687755674 YJQLOJLNGYLIFG-QHCPKHFHSA-N 430.435 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 699670586 YJWQWHBYJAPPSQ-IFXJQAMLSA-N 435.487 4.715 30 10 IJEE N#CCOc1ccc(Cl)cc1CSCC(=O)N1CCC(Cc2ccccc2)CC1 735317552 CKDIOYQOPIXHQM-UHFFFAOYSA-N 428.985 4.957 30 10 IJEE CCCCCCCOc1ccc(/C=C/c2nc(O)c3cnn(-c4ncccn4)c3n2)cc1 746519310 BUAQILSFYPMTJC-JLHYYAGUSA-N 430.512 4.831 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 788847624 NKGRUVQBVGWYAF-UHFFFAOYSA-N 426.460 4.840 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)CCCN1C(=O)OC(C)(C)C 790571253 JCRQPCPOGNMZOR-QFIPXVFZSA-N 448.470 4.959 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(c2ccccc2)CC1 802565257 PHYLPLRJBUCHKX-UHFFFAOYSA-N 445.567 4.665 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2C2(CC2)C1 809908952 KIGVAMLOMPVIBV-FQEVSTJZSA-N 449.599 4.630 30 10 IJEE CCc1nnc(NS(=O)(=O)c2ccc(N=Cc3c(Cl)cccc3Cl)cc2)s1 1083897981 MZQDWILQIXAHFN-UHFFFAOYSA-N 441.365 4.959 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)C2)c(F)c1 1126274735 DTGYDGVDBPGZCM-NOZRDPDXSA-N 443.522 4.598 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N1CCN(Cc2ccccc2)c2ccccc21 1127248980 HEXKWIRFAFPTLS-UHFFFAOYSA-N 432.321 4.988 30 10 IJEE C#CCOc1ccc(C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)cc1 1127331359 ZPBFYRVHCSHMPH-KRWDZBQOSA-N 438.499 4.624 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CC=C(c4ccc(Cl)c(Cl)c4)CC3)cc2C1=O 1127963518 PDNYITVEKMNRGT-UHFFFAOYSA-N 441.314 4.705 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)OCc1ccc(Cl)cc1-n1cncn1 1128632333 AKYJFPBWFDRZAL-UHFFFAOYSA-N 430.851 4.942 30 10 IJEE C=CCc1cc(C(=O)N2CCc3c(ccc(OC)c3OC)[C@H]2CC)cc(OC)c1OC 1130550938 TWEWYCWPNVURES-HXUWFJFHSA-N 425.525 4.599 30 10 IJEE C=CCn1c(SCC(=O)N2CCC(c3ccco3)CC2)nnc1-c1ccc(Cl)cc1 1131102907 OFJDZIQLAZWUAO-UHFFFAOYSA-N 442.972 4.876 30 10 IJEE C#Cc1ccc(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c(Cl)c1 1134652160 CPEJGBVRIDACER-UHFFFAOYSA-N 445.828 4.964 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 1134862078 OFDNOZIQVONAPZ-LJAQVGFWSA-N 444.607 4.673 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)c2ccc3ccc(Br)cc3c2)CC1 1136603574 CZXCMWGMRSQOBD-UHFFFAOYSA-N 434.337 4.826 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cn(C(C)C)cn1)c1ccc2c(c1)OCCO2 1136698157 WZSUMGHKETZPIH-UHFFFAOYSA-N 433.508 4.647 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl 1137416710 OKJZDFUOHPXODT-QANKJYHBSA-N 445.387 4.781 30 10 IJEE C=CCN1CC[C@@H](N(C)[C@H](c2ccc(Cl)cc2)c2ccc(Br)cc2)C1=O 1167607888 DQWDZIZYNRDTBB-UXHICEINSA-N 433.777 4.911 30 10 IJEE C=CCN(C(=O)CN1CCOCC1(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1169929272 WFQVBHUXAYZGLB-UHFFFAOYSA-N 440.396 4.747 30 10 IJEE C=CCOc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1Cl 1178904114 PAMBPGZTYJLBQK-NRFANRHFSA-N 427.976 4.683 30 10 IJEE C[C@@H]1CCc2ccccc2N1CCNC(=O)c1cccc(COc2ccccc2C#N)c1 1182379453 HCIYVZBPROCHJX-HXUWFJFHSA-N 425.532 4.708 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c3cccnc23)c1 1186557330 NSUPJJNYGPVPQN-UHFFFAOYSA-N 428.513 4.620 30 10 IJEE C=CCn1c(SC[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nnc1C1CC1 1188268596 CUKMBCBYXYKRDV-QGZVFWFLSA-N 432.565 4.881 30 10 IJEE CC1CCN(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)CC1 1190650308 AZWDOUWBIMYWFI-PMACEKPBSA-N 442.673 4.660 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@]1(C)Cc1cc(F)c(F)c(F)c1)C(C)C 1211221291 CJDKJPHNAUVHBT-XUZZJYLKSA-N 437.550 4.909 30 10 IJEE CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1216826863 ADOPUWZMFSZFKH-UHFFFAOYSA-N 434.540 4.899 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](OC(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1 1224641442 KHVSWBVKKJHSNP-ROUUACIJSA-N 427.467 4.585 30 10 IJEE C=CCCC1(CNC(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)CCCC1 1225532331 OUJRRIYYYCRRQR-UHFFFAOYSA-N 427.589 4.516 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)c1ccc(Cl)cc1F 1227018624 YTLHGOLZPMKVRQ-YADHBBJMSA-N 427.951 4.753 30 10 IJEE C#CCOc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1265135145 VVWBNUIGQIASHG-UHFFFAOYSA-N 428.319 4.989 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c(OC)c1 1273572846 KULCELNAKGKNPV-IBGZPJMESA-N 444.369 4.656 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C[C@H]1CCCCO1 1286343657 LPUVCBFFMWHYAD-OAQYLSRUSA-N 434.540 4.536 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286428540 NFVDNDARVUHBCU-UXHICEINSA-N 444.501 4.634 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1286458395 SLXWOMOCAUYHSN-WOJBJXKFSA-N 446.517 4.777 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C(C)C)CC1 1286460959 SVSMXLNOBBUQOD-UHFFFAOYSA-N 445.405 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1Cc1sc(C)nc1C 1286527944 UODOFCREPUYKHO-XMMPIXPASA-N 435.597 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CCC 1286546336 IMAFUQUCDCJMJH-ONTIZHBOSA-N 439.604 4.753 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1286601171 HVSIVGSMFQCRRR-UNMCSNQZSA-N 437.588 4.509 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCCCC[C@@H]21 1286608909 VIZYWMHKJIBACT-GCJKJVERSA-N 430.543 4.899 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN(CC)C(C)C)CC1 1286640515 JLFFHNBRTICTRV-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCN(CCC)CC1 1286685192 OYECDJZHZSEPJH-UHFFFAOYSA-N 449.441 4.703 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C1CCCCC1 1286697504 APIFIWYMKNOQDU-UHFFFAOYSA-N 434.588 4.971 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1286711112 JCVSQTYLNMQPQL-UHFFFAOYSA-N 432.355 4.918 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@H]1C 1295784802 AQAICFBJNONNPV-WIYYLYMNSA-N 435.597 4.620 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC[C@@H](F)C2)cc1OC 1296750717 IFLVSPPEUDDYDJ-ROMRWMGNSA-N 441.551 4.621 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1csc(CC)n1 1300601019 CWZOHLWCIOSLFP-INIZCTEOSA-N 444.004 4.793 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(CC)[C@H](C)C1CCC1 1300861754 MKGZGMQWMYTWDG-OAHLLOKOSA-N 437.357 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CCc2ccccc2)C1 1300906893 UPXLTOWAFAHIOH-QHCPKHFHSA-N 433.600 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCC(C)CC1 1300909236 PHVNWIYPSSYREP-UHFFFAOYSA-N 447.631 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1Cc1ccc(F)cn1 1300925390 UKWXSJVMEWAKLF-UHFFFAOYSA-N 427.549 4.564 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1301127864 WCIFKLSFNYGGRT-VQTJNVASSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301143003 AXKNLOUKLMPLBB-IBGZPJMESA-N 437.632 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CC(C)C)C1 1301143423 KGYKMJNMNLYRKW-LJQANCHMSA-N 444.645 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@]1(OCC)CCOC1 1301158515 HUNSRMZDUWOWNN-NLFFAJNJSA-N 442.579 4.666 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)CC 1301241216 PICTXZAGBVWZEG-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1 1301261557 ISJLQZSEKBIPLX-FQEVSTJZSA-N 447.624 4.713 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC(N2CCCCC2)CC1 1301529871 NSODKLGAFOTGTI-OAQYLSRUSA-N 437.632 4.859 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CCCC)c3ccc(OC)cc3)ccc2c1=O 1306522862 XEFYNGRDQSOIQH-FQEVSTJZSA-N 437.565 4.541 30 10 IJEE C=CCOc1ccc(CNc2nc(C(F)(F)F)ccc2I)cc1 1307119148 UYPHUXYOPMXTPD-UHFFFAOYSA-N 434.199 4.882 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C(=O)NCCC)c2)cc1OC 1308317620 AQCNAIVSFTVWSN-UHFFFAOYSA-N 433.346 4.774 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cccc3c2CCN(CC(C)(C)O)C3)cc1OC 1308368313 TVRDAXUQNOGLTG-UHFFFAOYSA-N 430.976 4.655 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1OC(F)F)c1ccc(F)c(F)c1 1310281538 WTOUVZFPZSREBC-KRWDZBQOSA-N 426.366 4.792 30 10 IJEE N#Cc1nc(NC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)ccc1Br 1311071431 BSLHWODDBTZMBW-ZDUSSCGKSA-N 437.750 4.768 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)C1 1311219943 QQKAISVKPDWDJC-LLVKDONJSA-N 436.215 4.577 30 10 IJEE COc1cc(OC)cc(Oc2ccc(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)c1 1311725643 CBGPHQBQBAAUJR-QGZVFWFLSA-N 431.492 4.928 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc34)oc2=S)C1 1325205733 GGYFIPLXYWDIBU-QGZVFWFLSA-N 445.548 4.717 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1F 1349193629 WSRFXRZNZVYTEX-UHFFFAOYSA-N 442.537 4.694 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Oc1ccc(NC(=O)c2ccccc2OC)cc1 1349900084 RKHKLKIMIMEJJC-UHFFFAOYSA-N 433.460 4.740 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H]1CCc2cc(Br)ccc21 1351585493 GFDLDAAOMOZLIS-SFHVURJKSA-N 445.309 4.608 30 10 IJEE C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccc(OCc2ccc(F)cc2)cc1 1352676744 DPHFIMQJDCKXCH-SFHVURJKSA-N 440.478 4.953 30 10 IJEE C#CCN(C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)c1nccs1 1355155971 MKOKCHFSFMTFLB-UHFFFAOYSA-N 426.954 4.844 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C=C)CC1 1358924411 VXIVCKKGIQFROB-UHFFFAOYSA-N 429.362 4.532 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1358933236 MQYZWEYXSACBPA-SANMLTNESA-N 447.671 4.959 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1sc(C)nc1C 1358987648 NSWLFSJFXJLYRY-INIZCTEOSA-N 449.649 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(COC)CCCCC1 1359002389 XVSIHXWVTAEDQG-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1359097652 RMHQPIFAOPEJGU-CECAUBDESA-N 439.510 4.797 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359101424 OCIAQGHYUYHMLT-NQIIRXRSSA-N 434.506 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(C(F)(F)F)c1 1359114210 CCSUOINHINLMDB-UHFFFAOYSA-N 433.453 4.873 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359120172 MNIZENNMRSATFZ-GOSISDBHSA-N 448.571 4.515 30 10 IJEE C=C(C)Cn1c(N2CCC(C)(c3ccc(C)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359125309 XWHMTEBHWCRLCM-AREMUKBSSA-N 438.616 4.761 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@@H](C(F)F)C2)nnc1C1(c2ccccc2)CCC1 1359136792 VAVPRTKJRJCKQU-LJQANCHMSA-N 430.543 4.822 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cnccc2OC)CC1 1359173575 JBCFRFVPNZOFQF-FQEVSTJZSA-N 447.583 4.889 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(CC2CCCCC2)CC1 1359205430 XHNSJXCZWIKXST-UHFFFAOYSA-N 427.662 4.989 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1Cc2ccc(Br)cc2C1 1359218261 CQBYJAUZAQQPHP-UHFFFAOYSA-N 444.402 4.883 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1CC(=C)Br 1359277906 ZXTZHRCAOOVNBV-UHFFFAOYSA-N 445.336 4.745 30 10 IJEE CC(C)OCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1360396263 CDSFXDNROHQNLG-HTAPYJJXSA-N 431.968 4.627 30 10 IJEE C#CCO[C@@H](C)C(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1435164182 NHXDUOJNCHLFFQ-JXFKEZNVSA-N 430.342 4.634 30 10 IJEE C=C(C)c1cccc(NC(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)c1 1439925821 RZTMOOZRIBYSTM-UHFFFAOYSA-N 426.538 4.597 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)CN(C(=O)OC(C)(C)C)C1 1441495972 MZANRSCYWCONMO-UHFFFAOYSA-N 436.556 4.638 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 1448919366 GXIUWQHYYZLPJO-XPWALMASSA-N 442.600 4.786 30 10 IJEE C=CCC[C@@H](NC(=O)c1nnn(-c2ccccc2Br)c1C)c1ccccc1 1458133150 GFWIDVLARDAXOC-GOSISDBHSA-N 425.330 4.776 30 10 IJEE C=C(C)C[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)C(=O)OCC 1462504136 XNCAFPWHOSRKMT-LBPRGKRZSA-N 430.751 4.945 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(Cn4cc(Br)cn4)s3)cc21 1463119779 TYQNMTRORCSTMP-UHFFFAOYSA-N 442.342 4.543 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)CCCN1C(=O)OC(C)(C)C 1466059063 CPDGCSMRFWUBNT-JOCHJYFZSA-N 429.542 4.800 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1468411663 NUOAWNIODCJTOJ-RTWAWAEBSA-N 445.485 4.813 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1469491183 KOBDACMTOQSRQU-QUCCMNQESA-N 431.458 4.817 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC 1474413395 IKZJLKCPBSOEQN-UHFFFAOYSA-N 435.351 4.525 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCCN1CCC[C@H](C)C1 1507519111 YBSUWRYGJWYIEX-ACRUOGEOSA-N 441.595 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccc1F 1507819122 OFLICGKCHVAPOQ-UHFFFAOYSA-N 432.341 4.820 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C)s2)CC1 1507890863 VBJVXKVVBKKICJ-HDICACEKSA-N 443.617 4.623 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1507909897 WTEGINMVZIVZJC-QTDDQOEGSA-N 430.637 4.947 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnc(C)s1 1507914171 GBULTPFRIMCKRQ-UHFFFAOYSA-N 449.584 4.598 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1507945503 CBYAWDBZRXFTQA-GOSISDBHSA-N 444.023 4.942 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507955131 CFCLHJYMIYZFFL-JOCHJYFZSA-N 427.662 4.989 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H](C(C)C)N1CCCC1 1507998037 JJLSGZRHXDTFKV-HSZRJFAPSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1C[C@H](C)O[C@@H](C)C1 1508008170 LFUROMSUAWGJDA-CMKODMSKSA-N 430.618 4.630 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CC2)n1Cc1cccc(C(F)(F)F)n1 1508026735 VTCIUYYCBISEHB-UHFFFAOYSA-N 441.501 4.928 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H](C)CC#N)c(C)o1 1510550584 FUROJCRIAYLQRS-DMZKTXOQSA-N 445.926 4.594 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC(F)(F)F 1513983926 AWIOWWVMINZWLC-FXAWDEMLSA-N 448.537 4.716 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](SC)C(C)(C)C)C[C@@H](C)O1 1514137468 GZSZQTWGYNNXTI-AHRSYUTCSA-N 427.618 4.598 30 10 IJEE COC(=O)Nc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)ccc1F 1521185285 GTLQUGQRMGOABB-UHFFFAOYSA-N 435.459 4.611 30 10 IJEE C=CCN(C(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1522118978 JKDRINHYYIOAPQ-MOPGFXCFSA-N 442.581 4.856 30 10 IJEE C=CC[C@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(Cl)c1 1524010675 MKSGSPWZRBOGAS-INIZCTEOSA-N 437.235 4.670 30 10 IJEE CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1526237788 HRVAFLTZTOAGDU-SFHVURJKSA-N 444.348 4.723 30 10 IJEE C#C[C@H](NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1528496897 GORLVFQQJOEHDU-IBGZPJMESA-N 443.341 4.829 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CSCCS1 1538991548 ASYMIOZVTVWLGS-WIYYLYMNSA-N 444.670 4.677 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccnc(SCC)c1 1539195158 OFNMDUGUQWEXSD-UHFFFAOYSA-N 449.624 4.779 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCC1(F)F 1539390398 OMELTQSYEKDKHS-GOSISDBHSA-N 427.474 4.878 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(=C)CC1 1539586865 PTVPFPPOMMHJOG-UHFFFAOYSA-N 447.377 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1539631538 MAAJLEICBOGIFX-VGYLUTEMSA-N 446.542 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C 1539643181 UZDLNJXUQZOOQQ-ONTIZHBOSA-N 426.580 4.765 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1539835973 KHXMSBTXAOZFGI-UHFFFAOYSA-N 437.588 4.531 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539840312 RFLUNMDKUYCHCV-NVXWUHKLSA-N 449.368 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539910091 DUAJMERMSDQFLR-LJQANCHMSA-N 439.604 4.959 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1539974696 FIWDRRHROZAWQR-FGZHOGPDSA-N 442.629 4.619 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1539982745 QIGOVMSILSSKSE-UXHICEINSA-N 427.568 4.588 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCC1CCOCC1)C1CC1 1540098920 MLOSDFBHIYUZEI-UHFFFAOYSA-N 449.368 4.818 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1540139907 HRISYBGRJVAFAH-UHFFFAOYSA-N 435.597 4.515 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCCc1nc2c(s1)CCCC2 1541118658 FGEOFMVBXXMYEL-IBGZPJMESA-N 448.640 4.627 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@]2(C)Cc2ccccc2F)ccc1OC 1564024971 FDGFJPMMFDYYLO-CJFMBICVSA-N 439.531 4.822 30 10 IJEE COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1564110696 ADJWDEXKRBETRZ-OAQYLSRUSA-N 427.932 4.780 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 1564913777 UFDHEKFBGTVZCU-DHIUTWEWSA-N 427.589 4.797 30 10 IJEE C#C[C@@H](NC(=O)NCCc1c(OC)ccc2ccccc12)c1ccc(Br)cc1 1564998822 CRCVSSDGJVRFSK-OAQYLSRUSA-N 437.337 4.827 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccc(Cl)cc1F 1568898260 OTYRTUNCLIHZOJ-YOEHRIQHSA-N 439.701 4.630 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F 1570419369 BIPWOGDWZQNBSH-NHCUHLMSSA-N 441.478 4.596 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2=CCCCC2)c1 1583974733 RKCMPDKNWKQTQE-UHFFFAOYSA-N 444.984 4.952 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(OC)c(I)c1)c1ccc(F)c(F)c1 1585435714 NMOWNSDCJHQPNC-QGZVFWFLSA-N 443.231 4.625 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cc(Cl)ccc1Cl 1585531343 GWUXDTBYVWJGSA-YPMHNXCESA-N 436.726 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)C1CCCC1 1589570072 SSCAZPTZTYWZIT-JPYJTQIMSA-N 428.552 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(C)cc1C 1589599103 BISCRWTWVFTJIA-RUZDIDTESA-N 426.605 4.581 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1593671986 WFUVDHWTYUVWDT-NRFANRHFSA-N 438.616 4.984 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)COCC)CC1 1594202239 IKAVVWSATKDDHU-UHFFFAOYSA-N 436.398 4.501 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H](C)N(C)C)CC1 1594218950 YYMKPNBECLBVGK-FQEVSTJZSA-N 425.621 4.723 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1594248183 YCWOOYSPUWEKMS-QFIPXVFZSA-N 444.627 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1594520953 HMNONCDCCULDRM-UNMCSNQZSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@H]1C(C)C 1595149650 RFBXVGJAWAEIIJ-NQIIRXRSSA-N 425.602 4.599 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 1595885365 MMVGYKMXCPKIMD-HXUWFJFHSA-N 434.334 4.605 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCS1 1596789112 FVQVUAODSXVLPI-GJYPPUQNSA-N 434.009 4.953 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(C)cc1OC 1611155759 NYTWSIFKJGEWTR-OAHLLOKOSA-N 441.366 4.954 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2)c1CCC 1611515858 MZRKBIZLNWYUQT-QGZVFWFLSA-N 432.952 4.799 30 10 IJEE C#CCOc1ccccc1OS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1621771570 BUTQJVCOWVJNFV-UHFFFAOYSA-N 436.110 4.536 30 10 IJEE C#C[C@@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 1622180465 SNCJRANHIHLDRP-MRXNPFEDSA-N 433.154 4.550 30 10 IJEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)C2 1628044826 HTGPWJXPDGUGDG-MZNJEOGPSA-N 438.911 4.809 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 1629831580 CJJBJQMGRQZWTN-IRLDBZIGSA-N 435.653 4.739 30 10 IJEE CC(C)[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccc(C(C)(C)C)cc1 1634632697 DAJOGLNJAHOUMA-JOCHJYFZSA-N 449.599 4.950 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 1634683715 JUCZXBFFBWEQME-UHFFFAOYSA-N 426.563 4.767 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)CCc2ccc(I)cc2)C1 1634918671 LSPSVISXCYLHDU-DOTOQJQBSA-N 426.342 4.610 30 10 IJEE C=C(CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccccc1 1635923770 VDXWFWGMSAQZFD-LJQANCHMSA-N 432.305 4.851 30 10 IJEE N#Cc1c(NC(=O)CCNC2(c3cccc(Br)c3)CCC2)sc2c1CCC2 1642150006 CWSISSOPASNTIC-UHFFFAOYSA-N 444.398 4.869 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCc1ccc2c(c1)CCO2 1643491085 KMNRKNVUYLQCNL-UHFFFAOYSA-N 427.957 4.966 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 1653271641 KIUYAPKGKOKMTF-SANMLTNESA-N 438.999 4.868 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN[C@@H](c3ccccc3)C3(CO)CCC3)c2C#N)C1 1653693474 AFXCXUOAONMVAV-HXOBKFHXSA-N 437.609 4.567 30 10 IJEE C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl 1653908514 ASEFKMSQMGZLPK-UHFFFAOYSA-N 425.175 4.713 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCC[C@@H](c2ccccc2)O1 1656154233 CFUCBQGNIXKABS-VXKWHMMOSA-N 426.630 4.895 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CC)[C@H](CC)Cc2ccc(C)cc2)cc1 1658320580 KLDQPOAGWAXXAC-JOCHJYFZSA-N 443.613 4.677 30 10 IJEE C=CCc1cc(CN[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc(OC)c1OC 1661353776 ILGYBTNLKWAGJZ-PCCBWWKXSA-N 430.589 4.558 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnn(-c3ccccc3C)c2CC)cc(OC)c1OC 1671467589 YKVTVIQTAQOEKF-UHFFFAOYSA-N 434.540 4.811 30 10 IJEE CC(C)CN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1671576230 GDVZNQSKSNSPRV-JOCHJYFZSA-N 438.959 4.575 30 10 IJEE Cc1cc(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(C#N)cc1N(C)C 1672555221 GLJLFAVTFQIMNM-OAHLLOKOSA-N 432.355 4.640 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 1672712846 XRFUWWNFYWUJHL-AWEZNQCLSA-N 439.350 4.600 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 1674014623 DMTKNBVEKKVCNE-RTWAWAEBSA-N 443.563 4.759 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C(C)C 1674145638 NLDDOWIFGPYFQE-CTNGQTDRSA-N 430.662 4.610 30 10 IJEE C#CCN(C(=O)NCCc1ccc(F)cc1C)[C@H]1CCOc2ccc(Br)cc21 1678677810 VAANJAVMEKOHOL-FQEVSTJZSA-N 445.332 4.608 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](C)Oc1ccc(Br)cc1)c1ccc(Cl)cc1F 1679357511 STYCURHDWURUNZ-XIKOKIGWSA-N 439.712 4.683 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC(F)(c4cc(OC)cc(OC)c4)CC3)cc21 1680806035 JWKRELNWFMKFNW-UHFFFAOYSA-N 438.503 4.732 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1680831748 LPFDAEALGPXEAC-QGZVFWFLSA-N 437.378 4.958 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1)c1ccc(Cl)cc1F 1683517251 UBVVIQKFUNOMBS-HXUWFJFHSA-N 438.890 4.793 30 10 IJEE C=CCC[C@@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)c1ccc(C(F)(F)F)cc1 1684129557 JCWYNOLHOSMAHC-GOSISDBHSA-N 425.495 4.661 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccco1)N(CC)CC 1689844918 LEQWBABKJAZECN-WMZHIEFXSA-N 444.583 4.571 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1690365852 IYPBXUZYTCTHGB-KDURUIRLSA-N 444.023 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1690369638 RYFKXFKAIPWSQK-JOCHJYFZSA-N 442.604 4.960 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1690379027 IIRYRDKSOIRJME-UHFFFAOYSA-N 431.437 4.627 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](CC)OC)CC1 1690402634 KEPRGHRKOQEAPY-INIZCTEOSA-N 437.357 4.674 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(C)[C@@H](C)CC)CC1 1690404410 CNXMVLPGMLPAMK-KRWDZBQOSA-N 432.012 4.740 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1690406544 KERIKUWKLMPLJH-ICSRJNTNSA-N 428.552 4.893 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CCC)C1 1690419913 FJZLBEPCUBBQFG-MRXNPFEDSA-N 436.398 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)CCC3CCCC3)CC2)nnc1C(C)(C)C 1690439644 LJRPUJTWMBOWGV-UHFFFAOYSA-N 429.653 4.797 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690478082 MVUZWKQNQAJKFU-QZTJIDSGSA-N 443.567 4.790 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCSC(F)(F)F)C1CC1 1690536955 HXPPQGTZKLQMHS-CYBMUJFWSA-N 430.471 4.965 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1690636352 VHJZQSMDMXXFIA-UHFFFAOYSA-N 446.599 4.580 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1690649576 BEBSFFWLZVRNAF-SFTDATJTSA-N 438.616 4.984 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1693641422 FUMNALAEURHIQY-PFAUGDHASA-N 431.625 4.530 30 10 IJEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1705538400 NEKIBUJXORMLRW-UHFFFAOYSA-N 428.527 4.719 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)N1CCC(C)CC1 1705668402 LBMFDYJEQWHZDW-WFIHMLKPSA-N 433.644 4.933 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(Cl)c1 1705703763 OSDNDBZHAGBCAE-WIYYLYMNSA-N 425.964 4.555 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(OC)ccc1Br 1705726861 LNXBKGGFLIXERD-UHFFFAOYSA-N 433.394 4.994 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1Cc2ccc(Br)cc2C1 1705757794 YBECMLPAJWOCHS-UHFFFAOYSA-N 435.778 4.966 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCCN2CCC)CC1 1705763329 SVYVPCVCJLWJLY-NHCUHLMSSA-N 441.595 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705790275 PBSNCYCNSGFCPX-GAJHUEQPSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1Cc2cccc(Br)c2C1 1705791964 JJDLQEVWSJMPSJ-INIZCTEOSA-N 431.378 4.667 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ncccc1N(C)C 1705837604 IDHAOQCQDAPMMQ-UHFFFAOYSA-N 448.571 4.944 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCCC1(C)C 1705846322 AMAPHMFSRSIXFP-VWLOTQADSA-N 426.605 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1705865144 GTDABSXDOVIFNU-UUOWRZLLSA-N 438.597 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCCCC1 1705866610 VFNRODHYIVCVFJ-FQEVSTJZSA-N 430.618 4.859 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2Cc2noc3c2CCCC3)c1C 1706972594 AFMFMSWBLXIROH-PKOBYXMFSA-N 448.571 4.688 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C 1710402667 HEMGBODBCQOTQP-WAOWUJCRSA-N 427.618 4.598 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCCCCC1 1722281570 UZYSHJFFPLCPNY-SFHVURJKSA-N 449.624 4.920 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)(COC)CC1 1722325022 CVMVDJHBLLCYMX-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1722328540 WAJBJVJCSFLKCU-YADHBBJMSA-N 445.567 4.501 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)N1CCCCC1 1722344228 NQTVMOVXIBSFCL-UHFFFAOYSA-N 444.627 4.687 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(CC(C)C)c1C 1722347428 IDRYBTXNNWJHEY-UHFFFAOYSA-N 431.371 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCNc1ncc(Cl)cc1Cl 1722473034 NDAMSPRKTCMVBX-OAQYLSRUSA-N 435.403 4.673 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1722479108 FNUMGSVFCQPZIL-HNNXBMFYSA-N 448.340 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC(C)(C)N1CCC(OC)CC1 1722513082 QNFIUUCIDHYHEK-UHFFFAOYSA-N 425.621 4.545 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SC)C1 1722543380 HMVBFGSMGUZKMJ-SFHVURJKSA-N 434.009 4.622 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H](C)N2CCCCC2)CC1 1722559935 MIMHGNQPFAECPI-SFTDATJTSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2cccc(C)n2)CC1 1722583360 UABAAPQMODNUQJ-UHFFFAOYSA-N 435.547 4.735 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCOCC2(CC2)C1 1722601442 WMNZSYUMKHEFHA-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(N(C)C)cc1)C1CC1 1722653494 FEEVVPRXTXDKMD-DHIUTWEWSA-N 437.632 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722656463 VQDJPTMQRNHCBP-OAQYLSRUSA-N 439.604 4.994 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCCc2sccc2C1 1722740829 ZRLNVJZCLOQHQH-UHFFFAOYSA-N 444.601 4.930 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(CCSC2)C1 1722742882 KCTPIPQOLPOSBJ-HSZRJFAPSA-N 444.670 4.727 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1726962508 BUISIGOJAMKKJI-PMAPCBKXSA-N 432.613 4.567 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1727682009 AFRNTGIQJJKBGM-XJKSGUPXSA-N 446.502 4.965 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1cccs1 1740560314 GFEQAKZMCAGUNR-KRWDZBQOSA-N 428.989 4.819 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740605919 YXMDRUMYMRDGRN-ZDUSSCGKSA-N 446.407 4.951 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740719305 JURAEBDWXGREMJ-XGHQBKJUSA-N 430.568 4.528 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740757306 UOAXPRCXEPZAAS-JBACZVJFSA-N 445.007 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740844871 XCRBEDUQUFFBFI-GCJKJVERSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](OC)C1 1740845496 QYNRVZJBHDDJJR-INIZCTEOSA-N 449.393 4.544 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](C(=O)NCCC)C2)nnc1C(C)(C)C)c1ccccc1 1740854795 JCWMJGMDWAZFPT-YADHBBJMSA-N 437.632 4.678 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1740862058 IUZQTJWLZLNIDC-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1748701675 NSVWCMSRQQTHOY-GMAHTHKFSA-N 446.599 4.774 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1748717987 BDWKYXKWHAINLF-DEOSSOPVSA-N 429.568 4.808 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1748744135 SWAVZYKCFHXFKR-KRWDZBQOSA-N 439.922 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H](C)c1nccs1 1749123484 DWIYPJKYIORNGO-SBHAEUEKSA-N 437.613 4.931 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)CC)CC1)c1ccccc1 1749383019 QZZVUODIJSIMMF-JOCHJYFZSA-N 432.616 4.944 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@H](C)C1 1749393442 VIOIPLZDJHLTIO-GASCZTMLSA-N 437.357 4.817 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1749445030 IFPDPFMYYWAXBQ-SFHVURJKSA-N 446.567 4.544 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1Cc1cccnc1OC1CCCC1 1749499784 MXTCSXNAZVPEIW-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC1(F)F 1749550616 DYSYWSIHLZSTDU-KRWDZBQOSA-N 432.544 4.758 30 10 IJEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1750481075 GTBGLNVRTROOEV-IRLDBZIGSA-N 438.595 4.513 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)s1 1751732851 BVMKNCJSLKKOAD-HNNXBMFYSA-N 441.004 4.831 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCC1(C)C 1760195119 WVSVMVFJKDIOPK-SFTDATJTSA-N 434.584 4.716 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@](C)(O)C1CCCCC1 1760240565 VBRGQFITKFEGFM-VWLOTQADSA-N 426.580 4.686 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)S[C@H](C)C1 1760274156 GUIDHSBJLKWUFX-GGPKGHCWSA-N 444.670 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)C/C(C)=C/c1ccccc1 1760317937 BGJRIQJTFVRQOO-VCVZTXPMSA-N 429.568 4.861 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1760356566 QWHPMZHAPXKANV-URXFXBBRSA-N 437.632 4.628 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccco1 1760360581 HACGNVUKGVIQPO-SVFBPWRDSA-N 428.577 4.724 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 1760420717 UUORUVJBYKBXMP-FYYLOGMGSA-N 437.632 4.579 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](OC)C1 1760422774 LOAYWHQJOYDPOC-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1cccs1)N1CCCC1 1760494602 PRZIJIBHLPUQGL-NRFANRHFSA-N 434.613 4.726 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760568284 DVGQNQIOVUYIAO-MSOLQXFVSA-N 432.659 4.981 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1763326230 AOOSVJJDQKXPPN-REWPJTCUSA-N 434.632 4.954 30 10 IJEE CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(Br)cs1 1767298237 DLDPCEBQEJJZLX-UHFFFAOYSA-N 442.386 4.925 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)COc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858833347 FYCWHRJWJMVZIB-UHFFFAOYSA-N 435.871 4.577 30 10 IJEE N#Cc1c(N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)ncc2c1CCC2 1859821690 RJMCCCUXZMOZPR-UHFFFAOYSA-N 428.319 4.753 30 10 IJEE Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc(C#N)c4)C3)n2)cc1C 1860664741 AKZBHEHYAADFLQ-OAQYLSRUSA-N 444.560 4.790 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CC 1861028956 STCBQSJAMFBVAV-KXBFYZLASA-N 425.957 4.869 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861762908 AONFRCAHFFVUTL-LXKWBGADSA-N 430.589 4.638 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 1861960008 DKEJLLACZIJXGL-QFIPXVFZSA-N 443.012 4.501 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCN(C)C)cc1 1862414828 JQDLTUDOMJGOIE-JOCHJYFZSA-N 442.506 4.618 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCO)cc1 1862435389 VFUBKRFQWNQYGF-HXUWFJFHSA-N 427.928 4.598 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478426 HBNMGOOTZDYFRV-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 1862497831 UEVYCQIDYDMSLS-LJQANCHMSA-N 426.856 4.606 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)c1 1862556645 BJEOOYWEKJBYKO-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(N(C)C)cc1 1862594581 GORJSDHUJPGLQA-HNKPZJSLSA-N 434.536 4.615 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2F)cc1F 1862639507 ZZZFMCNRKTWADX-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649724 FEXCJMFQULQBMD-HSZRJFAPSA-N 433.479 4.720 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc(OC)c1O 1862656873 PFVRSTZRZXVWDT-QFIPXVFZSA-N 447.487 4.549 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678071 NFPIGUZWNWKMDR-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 1862705244 SXJVECPJEXRPNH-GMAHTHKFSA-N 449.547 4.750 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc2cc[nH]c2c1 1862739149 RMHYFVZZPUISLO-OAQYLSRUSA-N 433.464 4.845 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc4cccnc34)=C(c3ccc(F)cc3)C2=O)cc1 1862768649 YWCHJWGSYHKEAC-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(C)ccc3C)C2=O)c1 1863027827 IDLULBFWARSUHI-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(F)c(C)c2)C(=O)N(c2ccccc2C#N)C1=O 1863100213 BPORPIJFTSRMBN-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE COc1ccc(/C=C(/C(=O)Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccccc2)cc1OC 1865913419 OUCLGKPOKUCSGT-XDHOZWIPSA-N 429.432 4.663 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccncc3)C2)nc(-c2ccc(Cl)cc2)n1 1869264306 QPHJYJWQBJFLRN-JOCHJYFZSA-N 447.970 4.948 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)/C=C\c1ccc(Cl)cc1 1870107770 XSXIRRQTDFKKHK-YWEYNIOJSA-N 432.698 4.810 30 10 IJEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CNc2ccccc2CC)cc1=O 1870813236 CMXCWSWGZHDOOX-RUZDIDTESA-N 447.579 4.596 30 10 IJEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(F)c(F)c1 1871118411 OWCOOQGBUJZOPI-UHFFFAOYSA-N 449.542 4.743 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CNc1cccc(C)c1 1871185802 VKCZGCWAGFLPAL-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871367382 IVJJKRCSIKRIPE-UCQKPKSFSA-N 434.444 4.760 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)c1 1871391022 KTPZIHQXQYXCJQ-UUYOSTAYSA-N 443.455 4.931 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871922828 DIQOGKGFBMCCHN-WMZHIEFXSA-N 444.597 4.624 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871949484 QYBRKJOGJGGMGR-IBGZPJMESA-N 441.380 4.896 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCc3ccc(O)cc3)ncnc21 1873641375 OYSGSVZDQXXELC-UHFFFAOYSA-N 433.899 4.841 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874247500 HXWBFWGIMHDTIB-XQNSMLJCSA-N 439.541 4.891 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874264523 BYHYUZRIIYGMOB-OEAKJJBVSA-N 427.961 4.737 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccco1 1874297339 WLOUAXMPQAAXHW-YDZHTSKRSA-N 437.456 4.684 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874300118 JAIFCJNWSWBYPW-LPYMAVHISA-N 425.514 4.766 30 10 IJEE Cn1cccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1ccc(F)cc1 1874352854 FEYBNPIKLHZAHX-AFUMVMLFSA-N 435.528 4.647 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1sccc1C 1874360420 FUTFNMCXQGDCPJ-YDZHTSKRSA-N 442.610 4.783 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1F 1874423766 DHYRPPXYABBEBX-OEAKJJBVSA-N 445.589 4.769 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2F)cc1 1874494262 IPJCZWRCIRITMB-FOKLQQMPSA-N 429.452 4.907 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874710204 WZGQQWULGFTNDE-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE CC#CCCSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320427 DMEDBSPWCJHFFA-QFIPXVFZSA-N 437.561 4.904 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 1903084815 TYBSGFMNOOUDHP-IFXJQAMLSA-N 435.487 4.856 30 10 IJEE Cc1cc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1C#N 1951665567 RXVVAFZBAJGVOX-QHCPKHFHSA-N 426.472 4.574 30 10 IJEE C#Cc1ccccc1[C@](C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952222946 YJBYFIFFIMPWNS-MHZLTWQESA-N 425.484 4.897 30 10 IJEE CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)O)C(F)F 1952561579 DLBLNQUXDGSIGD-YLJYHZDGSA-N 449.519 4.958 30 10 IJEE C[C@@]1(C2CC2)CSC(=Nc2cc(Br)ccc2I)N1 2029955043 SFAQNHKDTVKCHN-ZDUSSCGKSA-N 437.144 4.546 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CN(C(=O)OC(C)(C)C)CC[C@@H]1CC 2045214668 XJMFHVVUSPRPDC-FXSPECFOSA-N 446.632 4.526 30 10 IJEE C=CCC1(C(=O)N[C@@H](C)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2066551355 UYJDOQBJEKTKDF-LBPRGKRZSA-N 429.380 4.501 30 10 IJEE C#CC[C@H](C[C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2076092707 QWPINYVYZREBIM-DXBVXKBHSA-N 440.628 4.858 30 10 IJEE C=CCN(C[C@@H](NCCC)c1nc(CCC)[nH]c1Br)C(=O)OC(C)(C)C 2087655178 MNXUQPUHGCGUDO-CQSZACIVSA-N 429.403 4.589 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)[C@@H](C)c2cc(Br)cs2)C1 2130039266 SVPSDNSAPUDIPK-ZDUSSCGKSA-N 443.407 4.891 30 10 IJEE N#Cc1c(Br)cccc1N[C@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156295219 GOSKAQCSJCQOLS-XMSQKQJNSA-N 426.358 4.556 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCC 2159126016 QRKXZBVYTKAORN-HZPDHXFCSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](Nc3cc(Br)cc(F)c3C#N)[C@H]2C1 2163687627 FVJYFHOFVNSMTL-NUTKFTJISA-N 438.341 4.907 30 10 IJEE CC1(C)OB(c2ccccc2CN2[C@H]3CCC[C@H]2CN(Cc2ccccc2)CC3)OC1(C)C 2166725758 WXANVSAGEAZNKX-DQEYMECFSA-N 446.444 4.615 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(c3ccc(C#N)cc3Br)C2)C1 2174813271 UFPISRZSBNHAIO-NRFANRHFSA-N 434.378 4.938 30 10 IJEE Brc1cccc(Br)c1CN=C1N[C@H](c2cscn2)CS1 2175643627 NVCXQQKFXFGJAA-LBPRGKRZSA-N 433.194 4.602 30 10 IJEE C[C@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(Br)ccc2C#N)CN1C(=O)OC(C)(C)C 2181114727 NGSPZVAPMNLALH-DVOMOZLQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2ccc(C#N)cc2Br)CC1 2181135475 QPPIXQZELALFPH-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE Cc1cc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c(C)cc1Br 2203829736 KVBIFTYLUYRPKM-INIZCTEOSA-N 438.366 4.982 30 10 IJEE O=C(C#Cc1ccc(Cl)cc1)c1cc(Br)ccc1I 2231079678 MOGRBBSUFVFKFO-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC1(C)CC[C@](N)(C#Cc2ccccc2Br)[C@@H](CNC(=O)OC(C)(C)C)C1 2235734551 RIMFZYIQEZPKHD-VGOFRKELSA-N 435.406 4.849 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@H](O)C#Cc2ccccc2Br)cn1 2235741110 SAHWUUMIXIUIKH-GOSISDBHSA-N 431.330 4.691 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247906233 NCUPXPCHAXYNEM-MRXNPFEDSA-N 428.407 4.519 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2249564686 VXMAWMIEVODVBQ-MICWEPACSA-N 431.508 4.716 30 10 IJEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)c1 2260817342 YHQSWNZMZMPLPZ-JLHYYAGUSA-N 430.354 4.513 30 10 IJEE C=CCN(C[C@H](NCCC)c1cc(OC)c(Br)s1)C(=O)OC(C)(C)C 2263745154 ZHLFIFCEUVTHID-ZDUSSCGKSA-N 433.412 4.983 30 10 IJEE C=CCC1(COc2nc(Cl)ncc2Br)CCN(C(=O)OC(C)(C)C)CC1 2272076842 NKNMHYNVMVFHGU-UHFFFAOYSA-N 446.773 4.865 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)C#Cc2ccc(Br)cc2)cc1 2296286104 HXBCBXVVFXVMSE-UHFFFAOYSA-N 428.326 4.751 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC1CC1)NC(=O)OC(C)(C)C 2296295877 IDLVHQUDTAKAHN-UXHICEINSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(=O)C=Cc2cn(C[C@H](O)CN3CCCCCC3)c3ccccc23)cc1 2297359440 SFTBTYLQZYDNTR-HSZRJFAPSA-N 432.564 4.783 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(C(=O)O)[nH]c2ccccc12 2321779718 CRRCFPQQNXQQOZ-UHFFFAOYSA-N 433.537 4.893 30 10 IJEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccncc1)C3 2321978195 HSYGYULSBNTTOY-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccccc1F 2322485513 RHQZVEHSZLYEGN-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2323201584 NLAFPARTEMZWLW-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323310365 ZCBNFBKEGMIPCL-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1OC 2323921482 CWIRTVFYVDJTSK-UHFFFAOYSA-N 445.943 4.939 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])o1 2324186209 NNMUZVANWFSNHB-UHFFFAOYSA-N 439.395 4.979 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326266828 SYDCLQHIAIWZDM-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cc(Cl)ccc1O 2327476112 FDRKTVMCKXRVHN-UHFFFAOYSA-N 436.871 4.655 30 10 IJEE CCCOc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SCC)cc1 2328278703 PLMWJAFEAHRCFY-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2cccnc2)cc1 2329966147 YEBUWDVYXAGKIV-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1c(Cl)cccc1Cl 2330276125 VWMOUHFRGCNRSP-UHFFFAOYSA-N 441.384 4.855 30 10 IJEE COc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1ccc([N+](=O)[O-])cc1 2330844883 MLMSKQSLNYPNHA-UHFFFAOYSA-N 439.541 4.958 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 2331170247 UDRRSDAVRYFLQU-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(C)cc2)o1 2331201152 TVXPOMHWHLMVOM-UHFFFAOYSA-N 436.493 4.791 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3OC)cc2)cc1 2331885491 UQOLPORUDIKYBU-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)n1 2337022200 NONIUWBQHRNVBX-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575394 WCZNXHRQPKLZBK-CXISOLTFSA-N 443.397 4.974 30 10 IJEE CCCN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2339575745 ZEDVODXSRIJSSO-OUKQBFOZSA-N 443.397 4.562 30 10 IJEE C[C@@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1Cc1ccccc1 2339575871 BKRRKRKCVLULID-YBYKEUDPSA-N 433.405 4.825 30 10 IJEE C[C@H]1C[C@@H]1N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339598923 JSPXYHXAEZMSSE-HKUYNNGSSA-N 444.381 4.751 30 10 IJEE O=C(C#Cc1cccc(Br)c1)c1ccc(Cl)cc1I 2340061968 TZNKRXSSWJIRME-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3ccc(Br)c(Cl)c3)C2)OC1(C)C 2342485956 QEWWNVNJRSBIDO-GOSISDBHSA-N 428.563 4.801 30 10 IJEE CCCN[C@H](C#CC1CC1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2362736590 LFNDUEPGAIQSRC-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)C#Cc2ccnn2C2CC2)c1 2367774269 YKPKSQNEPPJGEI-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)Cc3ccc(Br)cc3Cl)C2)OC1(C)C 2368438174 NFABLHDMWNIGRD-IBGZPJMESA-N 442.590 4.730 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccccc3OC)c(OC)c1)C2=O 8823783 FNWDRWWMLPQZIG-OYKKKHCWSA-N 446.455 4.938 30 10 IJEE Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1 20091810 PEJIXHAWVNGEQW-OAQYLSRUSA-N 447.520 4.809 30 10 IJEE O=C1/C(=C/Nc2ccc(F)cc2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 20575852 HRGAQFYMZGSBIY-WQRHYEAKSA-N 432.473 4.513 30 10 IJEE COc1ccccc1[C@@H](CNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)N1CCCC1 23982380 VKOZSRAWIMGDKB-AKNQKSQZSA-N 442.563 4.530 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1ccc(Br)cc1 39898630 AWXDQGFEVZVTHG-IBGZPJMESA-N 444.716 4.929 30 10 IJEE C=CCNC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(C[C@@H]2CCCO2)c1C 43251577 VPFPZDJOMIITFY-IBGZPJMESA-N 437.565 4.690 30 10 IJEE COc1ccc(/C=C2/S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)cc1Br 59432572 NJQJXBSTHNFDDT-VCHYOVAHSA-N 431.355 4.835 30 10 IJEE c1ccc(C/N=C2/Sc3nc4cc5c(cc4cc3CN2C[C@@H]2CCCO2)OCO5)cc1 101506703 YJLBDOISCUTFFU-ZFZZVZNFSA-N 433.533 4.606 30 10 IJEE N#Cc1cc(Br)ccc1Nc1ncc(Br)cc1Br 128974203 BFFYDLHOHGEGHS-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCC[C@@H](C)C2)C1=O 169979146 GVIUBPGHXZAXLT-GOSISDBHSA-N 427.545 4.767 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 169983324 CQWWJHMSRHKDGJ-NRFANRHFSA-N 433.485 4.822 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccnc2)cc1C 170009882 HSIVDIZLLAHQKQ-NRFANRHFSA-N 434.879 4.840 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCN(C)C)cc1 170068330 MUINQNZEUVZOTK-XMMPIXPASA-N 445.563 4.821 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(O)cc1 170133609 KPXDNOHJZINOFO-UPCLLVRISA-N 441.483 4.807 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCOC(C)C)[C@@H]3c3cccs3)oc12 170155162 HWRLGXGBVYBANY-LJQANCHMSA-N 441.505 4.506 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccs2)cc1 170161155 NBBBLBGZWXDORV-NRFANRHFSA-N 430.485 4.801 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)cc1 170203062 PDOBIZVJGBUQMW-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 170238571 IPXIHSZYVXQJKD-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2)cc1C 170241599 MFNIZLWDCIHOCX-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccco1 170282747 BEJNJWUMPWYVMH-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1sccc1C 170313103 NSVHKJAWKLBKHD-GOSISDBHSA-N 449.956 4.722 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccc(O)c1)c1ccncc1 170387995 CHDDIHBPEWVBSI-LJQANCHMSA-N 440.377 4.589 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC)cc2)c1 170409621 NHYBJJHUYYDKAQ-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(O)cc1 170448337 JIPGTRMIZKUQFE-IBGZPJMESA-N 435.398 4.806 30 10 IJEE COc1cc(CNc2cc(Br)ccc2I)ccc1C#N 312791954 PMEXMCDWKJKGDL-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1 489630411 DTZGQGJEEYUQJZ-HNNXBMFYSA-N 443.960 4.519 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cccc(Br)c1Cl 510471857 KGXWEQMXOKUBHV-UHFFFAOYSA-N 446.798 4.647 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)c1OC 526491711 OMQLCNWZYMOAJB-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-n2cccn2)cc1 538235156 AWPFIROBRWABKN-QGZVFWFLSA-N 433.581 4.754 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2Cc2ccccc2)cc1 549132423 CIYPDYJAPWXUBW-UHFFFAOYSA-N 441.457 4.556 30 10 IJEE C=CCN(CCOc1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1OC 586153090 HZHBVXAHXRQUGV-UHFFFAOYSA-N 431.941 4.758 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C)c(C)c2)c1 586246399 JLWIUFDAYGNMIR-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 586715576 HOKBENXXNFXICD-UHFFFAOYSA-N 429.904 4.815 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 698986975 LHZRIUZJUVDGCO-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE COc1ccc(Oc2cc(Br)ccc2C#N)cc1I 712930322 NAEZEVSTXDUAKJ-UHFFFAOYSA-N 430.039 4.726 30 10 IJEE Clc1ccc(N=C2NC3(CCSCC3)CCS2)c(I)c1 719673618 DPGSEBSCOPKTLI-UHFFFAOYSA-N 438.787 4.924 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 741533364 BHDQLDSLEGWZDS-QZTJIDSGSA-N 436.512 4.768 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1 774571103 PDHWIPRMZXEZQS-XMMPIXPASA-N 448.563 4.634 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)c1cccc(F)c1C#N 778373947 FVYJIEHKMSUGGM-UHFFFAOYSA-N 433.277 4.652 30 10 IJEE C=CCn1c(Sc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 931415900 LZDSWUSWDQRBNE-WZUFQYTHSA-N 440.456 4.516 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(NN=Cc2ccccc2Cl)n1 1084631021 MYWQENRUYILOGT-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 1115895328 FWNKERYPTVXLDX-CYBMUJFWSA-N 447.516 4.825 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(-c3ccc(F)cc3)n2C)c1C#N 1124545442 HAXWVZPIHMWWEX-UHFFFAOYSA-N 431.496 4.863 30 10 IJEE C=CCN(C(=O)c1ccc(Br)cc1C)[C@H](Cc1ccccc1)C(=O)OCC 1128110563 BPYUMVPLNOXOEE-HXUWFJFHSA-N 430.342 4.560 30 10 IJEE C#C[C@@H](CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1129609912 BMAIJQIMWRFHLI-KRWDZBQOSA-N 445.375 4.861 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(Cl)c(I)c2)cc1 1129965406 BMHPMUKYHYPHRG-UHFFFAOYSA-N 427.669 4.691 30 10 IJEE O=C(Nc1nn(CC(F)(F)F)cc1Br)c1cc(C(F)(F)F)ccc1F 1130007092 GGGMAMJSQNNCJR-UHFFFAOYSA-N 434.109 4.618 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 1142075777 ODGWIJXDXVGDJU-NRFANRHFSA-N 434.561 4.713 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C 1166575776 ANUHFOPXBBLGJS-UHFFFAOYSA-N 430.467 4.646 30 10 IJEE C=CCC[C@@H](CO)NCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1178709438 GATIFLZDHRQHCC-FQEVSTJZSA-N 426.358 4.719 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1OCC 1201473212 IZOJKKGBORZFSO-ZLGUVYLKSA-N 436.390 4.850 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O)c1ccccc1 1211118626 RFRINYSDLGWTLM-QFIPXVFZSA-N 426.582 4.707 30 10 IJEE N#Cc1cc(NC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)ccc1F 1215096056 ASYGNZVLUGGAEM-UHFFFAOYSA-N 438.503 4.915 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 1216743970 RGLKKGKNNAOMJP-NRFANRHFSA-N 441.572 4.780 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1 1229292367 RSAUMCFAPZKSNW-UHFFFAOYSA-N 434.367 4.882 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 1265464041 AFSNJSQJZLGIES-INIZCTEOSA-N 449.956 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cscc1C 1286422689 OGDGOTWEDIEBRI-UHFFFAOYSA-N 425.561 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCc2ccccc21 1286424779 KJCQCXBNMCHJAO-HXUWFJFHSA-N 429.955 4.577 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1cccs1 1286513086 QJGQRGYZUAMTCW-ZHALLVOQSA-N 432.659 4.822 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCCC 1286553159 UKLNMIBCHHFTPZ-RHSMWYFYSA-N 439.423 4.987 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC1 1286554609 YOOMAYPSTCXBMY-RHSMWYFYSA-N 437.407 4.597 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2ccc(OC)c(OC)c2)CC1 1286663506 MYMZQUUWGOARJG-JOCHJYFZSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccn1 1286667569 LVUGHCLNDNCQRX-UHFFFAOYSA-N 443.393 4.680 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1286699752 WBTFLFZLQWRZHY-FCHUYYIVSA-N 428.552 4.811 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1286703427 ARJXDXJOEYPNKF-IBGZPJMESA-N 430.980 4.730 30 10 IJEE C=CCN(c1nnc(-c2cc3ccccc3o2)n1CCCNC(=O)OC(C)(C)C)C1CC1 1286734819 IGNGNMXJGVWYLM-UHFFFAOYSA-N 437.544 4.761 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H](C)CN1CCCCC1 1286741879 LSSHSVCSFMBKHZ-NRFANRHFSA-N 432.616 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N(C)C 1286756048 PAUWGGRTHOAIAF-LJQANCHMSA-N 429.927 4.812 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCCOC2)C1 1286827107 CXNASANWFKDYPY-QFIPXVFZSA-N 449.020 4.533 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COc1c(C)cccc1C)C(C)(C)C 1295060677 PMLNWXPEAUYSOU-UXHICEINSA-N 430.589 4.520 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3c4ccccc4CC[C@H]3C(C)C)ccc2c1=O 1296138022 HHBFYYFBFJRENI-AVRDEDQJSA-N 433.577 4.561 30 10 IJEE C=CCCc1ccccc1NC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 1296893406 ZCNYHXWOTLINLR-UHFFFAOYSA-N 428.598 4.654 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1300362960 VVGZSHVCZDTXBM-CQSZACIVSA-N 438.416 4.644 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)COC 1300565212 MCFZSJNZVQUMDA-SFHVURJKSA-N 436.556 4.558 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)Cc1cccs1 1300602741 TWECJFUDSBRJQY-QZTJIDSGSA-N 426.561 4.957 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1300890493 GYTDZIJBOJYJIY-LLZJGCNPSA-N 433.600 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(Cc3cc(F)ccc3OC)CC2)nnc1C(C)(C)C 1301158678 MBZJKYYXMHUKQW-UHFFFAOYSA-N 443.611 4.648 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301160945 ZGDBFNXKTCFXSQ-YLJYHZDGSA-N 432.996 4.974 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1301173010 BGXFKJHEIXGTKE-SFHVURJKSA-N 427.568 4.816 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN(CC(C)C)C1 1301380714 JDHUIYJVWYONSP-NRFANRHFSA-N 432.616 4.973 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(CC)CC)cc2)C1 1301542463 OFRPOTQIPAIGNH-JOCHJYFZSA-N 435.572 4.522 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CC(F)(F)C2)C1 1301567472 WZYDWUKHECXGLR-SFHVURJKSA-N 434.556 4.705 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)c1cccnc1 1302512075 BCWCRDSXUAUAIJ-CVDCTZTESA-N 444.583 4.655 30 10 IJEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1306702583 HZJCWSUUUVOKEY-KRWDZBQOSA-N 427.961 4.910 30 10 IJEE COc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1S(C)(=O)=O 1310879014 CFTDASWJIJCLDA-MRXNPFEDSA-N 449.532 4.520 30 10 IJEE CC(C)(C(=O)NCc1cccc(OCC#N)c1)[C@H](O)c1ccc(OCc2ccccc2)cc1 1323549128 FRYCJDVALNJUTR-RUZDIDTESA-N 444.531 4.544 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(I)cc1Cl 1350317650 ILCFVLUZQBDYMT-UHFFFAOYSA-N 443.668 4.770 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 1358372280 XRYCPHMVTNNKCH-UHFFFAOYSA-N 427.548 4.638 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(CCSC2)C1 1358923849 DDBNCZNWNIFXMM-FQEVSTJZSA-N 449.393 4.594 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1358933145 JJFONZUPBXSTFN-UGKGYDQZSA-N 447.410 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(C=C)cc1 1358998507 HUFJPENMMNGZRB-DNQXCXABSA-N 430.596 4.545 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]2CC[C@@H]21 1359087865 SSWGCOKWUBMSKV-MSOLQXFVSA-N 431.378 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](CC)C1 1359092746 FSNJYATWKSZLCK-QRFRQXIXSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1359097651 RMHQPIFAOPEJGU-CDMIOBSGSA-N 439.510 4.797 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OCC)cc1 1359098668 DLIAVRCXEYIEQJ-PMVMPFDFSA-N 440.588 4.536 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1Cc2cccc(Br)c2C1 1359134264 QILHLVNGBLPYOE-UHFFFAOYSA-N 433.394 4.742 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(c2nc3ccccc3o2)CC1 1359134547 ZIGICBBYGTXOOP-UHFFFAOYSA-N 437.588 4.985 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359146734 IHRUPADBUKBXSA-PZJWPPBQSA-N 444.023 4.795 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)CN2CCCC2)CC1 1359166234 KRWDOBXXRLHBRI-UHFFFAOYSA-N 428.024 4.801 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359189767 UPADLIJZRLBFMG-QZTJIDSGSA-N 433.641 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359190973 JNQTWWIUINNPLA-FQEVSTJZSA-N 429.653 4.744 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1359201556 RQTMZFWLLRXCMV-ZJSXRUAMSA-N 447.631 4.524 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359206134 VURZJESQADHIKM-JOCHJYFZSA-N 434.588 4.868 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(OC2CCCC2)nc1 1359243688 ANGCFJBRJBKSAY-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1359252825 HUABVGNUHIBJJC-QFQXNSOFSA-N 437.632 4.831 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@H](C)C1CCC1 1359342857 GISWUWHJALUBSW-UTKZUKDTSA-N 428.602 4.725 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ncccc1OCC(F)(F)F 1360644346 YKSSQUXQPDOWRB-UHFFFAOYSA-N 447.226 4.753 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 1435135441 WNNSVXBOZIWESL-GOSISDBHSA-N 433.390 4.705 30 10 IJEE C=CC[C@@]1(C(=O)NC/C=C/c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1436449814 PMGIWKZUMKJQFA-IMAOXBOFSA-N 449.389 4.924 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 1458505665 LXLIPKUHGWYTCP-ZBEGNZNMSA-N 447.347 4.645 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCC(c4ccc(Br)cc4)CC3)C2=O)cc1 1460010186 ARPJEVMHXLHBEU-JOCHJYFZSA-N 438.369 4.696 30 10 IJEE C#C[C@H](NC(=O)CCc1cccc(F)c1Br)c1ccc(Br)cc1 1460787377 QASVAFDRNKVYIM-INIZCTEOSA-N 439.122 4.774 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H]2CCC[C@H]2C2CC2)nnc1-c1ccc(Cl)cc1 1460906725 NCYXPXBTCLXHOK-HKUYNNGSSA-N 431.005 4.819 30 10 IJEE CN(C)C(=O)N1CCC(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CC1 1460968194 DPQRQKABOYQXFW-UHFFFAOYSA-N 442.972 4.695 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(N(C)C)CCC[C@H](C)C2)cc1OC 1461093298 WNGFSDFWNVHMIN-HRAATJIYSA-N 425.411 4.623 30 10 IJEE O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 1468673509 DHPNLPMOMGPUDM-INIZCTEOSA-N 437.311 4.957 30 10 IJEE C=CCCC1(CNC(=O)NCc2c(Br)cncc2Br)CCCC1 1470255717 QKPHUTPXEJQIKW-UHFFFAOYSA-N 445.199 4.932 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](c2ccccc2)N2CCCC2)cc1OC 1473913880 OMDXGOZQVGFSPX-OAQYLSRUSA-N 445.401 4.949 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)cc1 1475973981 PYJLYCZQAVRJCE-HSZRJFAPSA-N 441.597 4.986 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@H]3COC(=O)N3CCCC3)cc2)c1 1476140913 FLHHRIACRIYRAI-NRFANRHFSA-N 448.523 4.969 30 10 IJEE COC(=O)Cc1sc(NC(=O)N[C@@H](CCC#N)c2ccccc2)nc1-c1ccccc1 1476593982 ADCJEIQXHHKAPK-SFHVURJKSA-N 434.521 4.692 30 10 IJEE C#C[C@H](NC(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1478656580 ODTHZYHJZICODZ-APWZRJJASA-N 437.943 4.632 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@H]1C(C)C 1507525752 CVJJEVCTAXAQNP-ROKPMTFOSA-N 448.567 4.636 30 10 IJEE C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CCOC)Cc1ccc(C)o1 1507823013 STSNZKUSEZCALH-UHFFFAOYSA-N 431.540 4.932 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)C)CC1 1507927255 ZTOKKLIOSLTGOH-HXUWFJFHSA-N 429.584 4.834 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCC(F)(F)CC1)C1CC1 1507988137 JGHPRQURGPGPTQ-UHFFFAOYSA-N 432.515 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1CCC1CCN(CC(F)(F)F)CC1 1508022337 WWRGSNOEBPFHCR-UHFFFAOYSA-N 427.559 4.710 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C)CCC2)C1 1508114979 DAMQRUNLRCFIRF-GOSISDBHSA-N 431.378 4.679 30 10 IJEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCCC1 1517185089 AYMIHUXOCIXTQW-UHFFFAOYSA-N 436.585 4.792 30 10 IJEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1517200518 HNNINVXVQNVTNP-ROUUACIJSA-N 433.478 4.869 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)cc1 1519993068 HBNMYNCIPXWCDN-XWFZLUIHSA-N 449.507 4.553 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 1521365083 HDCVPADPMGXJAS-POHAHGRESA-N 449.334 4.677 30 10 IJEE C#CC[C@@]1(C(=O)NC2CCC(c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1521612725 WAKYGYNERJQCQI-AJPKXHFHSA-N 428.548 4.761 30 10 IJEE C=CCOc1ccc(CNC(=O)c2c(-c3cccc(Br)c3)noc2C)cc1 1525535908 YSIMKMVVGYIRHL-UHFFFAOYSA-N 427.298 4.907 30 10 IJEE C=CCCOCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1526683148 CAQITGZEZWYGFU-LJQANCHMSA-N 439.408 4.863 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1 1528200866 WWNKODMFRQAEBB-UHFFFAOYSA-N 446.572 4.544 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)CC(C)(C)O2)[C@H]1CCOc2ccc(Br)cc21 1529626715 DDTYXHFNZPHNNA-IBGZPJMESA-N 440.337 4.762 30 10 IJEE CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1533265835 BTPLYBYBBUYYCV-UHFFFAOYSA-N 436.552 4.967 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)C1 1534784503 IYTZOUSZONGLPP-OAHLLOKOSA-N 430.335 4.814 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)CCCN1C(=O)OC(C)(C)C 1537895065 LWLPJQFLPFUMEN-PIXQIBFHSA-N 440.584 4.853 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@](C)(CC)C1 1539052836 JHMDNJAZLKFLNH-FDDCHVKYSA-N 430.980 4.880 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2Cl)CC1 1539077477 CXKKLHHPBCCHNV-UHFFFAOYSA-N 426.008 4.794 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3c(s2)C[C@@H](C(C)C)CC3)CCCN1C(=O)OC(C)(C)C 1539105799 GAJVMINCQCKLTG-HJPURHCSSA-N 431.602 4.636 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)cc1C 1539158704 IHNLRGRHTAVPFF-UHFFFAOYSA-N 433.350 4.529 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(N(C)C)CCCC1 1539376916 CIQBQESUHHRGKA-UHFFFAOYSA-N 437.632 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1539549730 QQFKDWKRXIDXPK-BORKOYIJSA-N 436.600 4.787 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1539712224 TZFZHBCLGABYQE-QUCCMNQESA-N 432.996 4.831 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1539785925 GONUKHMJLIMMSM-UHFFFAOYSA-N 428.024 4.961 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](OC)C(C)C)CC1 1539836604 VJGVNQXKKZYHQN-IBGZPJMESA-N 433.394 4.843 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC=CO2)CC1 1539882136 SQVTYLWVOAOPOK-KRWDZBQOSA-N 429.362 4.803 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1539889867 CQKZSUBSAOVWAZ-UHFFFAOYSA-N 426.605 4.874 30 10 IJEE CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1540045498 HTEJSRBIEGSFGG-UHFFFAOYSA-N 426.513 4.560 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCc1ccncc1 1540127098 BLWLBLSFBOLUFL-UHFFFAOYSA-N 426.568 4.713 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCC[C@@H]1C 1540139679 DMQISCQHGBABOR-UUOWRZLLSA-N 433.581 4.622 30 10 IJEE C[C@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCSC1)c1nccs1 1541827863 DFJHSMGAWANUDH-SJLPKXTDSA-N 438.626 4.656 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC2(C)C)CC1 1542023351 HVCUUJKVEBWXQE-KRWDZBQOSA-N 426.362 4.742 30 10 IJEE C=CC1(CC(=O)N2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCCC1 1543688516 RRTYUWIVZQQIJN-OAQYLSRUSA-N 434.621 4.778 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN(CC)CC)C1 1546633558 GCWOSUORVGBNQQ-WMTXJRDZSA-N 434.632 4.811 30 10 IJEE COc1ccc(/C=N\N=C2/S/C(=C\c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 1554646261 WURNRXJBTRCRAY-VBARTGPDSA-N 435.480 4.934 30 10 IJEE N#Cc1ccc(Sc2nnc(-c3ccco3)n2Cc2ccco2)cc1Br 1559133415 DTDNAHAXRACSQG-UHFFFAOYSA-N 427.283 4.965 30 10 IJEE C=CCN(CC(=O)Nc1cc(-c2cc(C)ccc2C)nn1-c1ccccc1)[C@@H](C)COC 1559993440 XEFMZLSEVHRFGP-NRFANRHFSA-N 432.568 4.618 30 10 IJEE C#CC[C@H]1CCN(CC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)C1 1560135940 GJPXZJJFVVYRFN-HNNXBMFYSA-N 430.957 4.529 30 10 IJEE CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1562673234 CHLMISZSNQLPMF-ZWKOTPCHSA-N 436.512 4.729 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1563429088 HCHVHGKLAQCDGG-GCJKJVERSA-N 442.028 4.946 30 10 IJEE C=C1CCC(CNC(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)CC1 1565321089 CVDIIYVECBFDPR-UHFFFAOYSA-N 437.559 4.983 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](C(F)(F)F)c4ccccc43)CC2=O)cc1Cl 1583689120 FDSPHJQMFTYARE-YOEHRIQHSA-N 447.844 4.647 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc(F)c(F)c1 1585434770 HTIJHPIUMKMMFP-RPWUZVMVSA-N 448.469 4.954 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCc3cc(C(C)C)ccc3C2)nnc1-c1ccco1 1586657155 NAGYQXTXVOKUTB-UHFFFAOYSA-N 436.581 4.915 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2ncc(C)s2)CC1 1587718986 SAPJGECHFMAPMF-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)c(Cl)c1 1587931995 IPXBCQUPVIKTQD-HNNXBMFYSA-N 441.000 4.911 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC[C@@H]1CCCCO1 1588189839 SIPAWANAOFKZGV-QFIPXVFZSA-N 441.579 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCN(C)CC(F)(F)F 1589599123 BNMLWOIBYNLRLU-UHFFFAOYSA-N 435.538 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCNC(=O)[C@@H]1CC 1594461756 XSAWPJSHAZJKPF-SFHVURJKSA-N 441.645 4.593 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1594498084 QARWBXUMQHWUBI-SFHVURJKSA-N 433.641 4.820 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(Cn2cc(C)cn2)CC1 1594634269 KCNDOKHKSPEFCJ-UHFFFAOYSA-N 436.579 4.786 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1594704072 RJVHGSQRSNEDRK-MOPGFXCFSA-N 428.602 4.793 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)[C@H](C)CC 1595093118 AIZIZXHVAKVKTF-NIYFSFCBSA-N 444.583 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1595191095 NGJHGQZMCZZNKC-SFHVURJKSA-N 429.565 4.574 30 10 IJEE Cc1ccc(-c2nc(CCn3c(-c4cccc(C)n4)nnc3N(C)[C@H](C)CC#N)co2)cc1 1612008324 BLKKVGOGGUHANS-LJQANCHMSA-N 441.539 4.593 30 10 IJEE C[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)Oc1cccc(Br)c1 1612054790 GZHTUPOKSNOPNC-AWEZNQCLSA-N 425.286 4.782 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CC[C@@H](C)C2)cc1OC 1616351107 FBAJPAFEVZJFRP-HHJKRLRDSA-N 437.588 4.919 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)n[nH]2)c1C 1618151005 IWECKIXKJPSNRZ-WMLDXEAASA-N 430.339 4.669 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 1623171663 IWZIHEHCUTUDOI-UHFFFAOYSA-N 448.473 4.845 30 10 IJEE C=C1CCC(CNC(=O)c2cccc(Br)c2I)CC1 1625699505 GSEAEIRHXWDZNT-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1629235370 HDNAOQLMUASATH-FHWLQOOXSA-N 436.980 4.727 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 1633417670 PFYDINQCUKXWCV-QFIPXVFZSA-N 437.975 4.522 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)c(C)c2c1 1633529614 WFVNGUACWOWDRL-UHFFFAOYSA-N 439.361 4.961 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3ccc(F)c(C#N)c3N)c2)cc1 1634589366 CJMBEDCWNGDRFF-UHFFFAOYSA-N 431.467 4.632 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CCCC1(C)C 1635479179 XQJOKRGJODJWAG-DYESRHJHSA-N 428.527 4.919 30 10 IJEE C=C[C@H](C(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccccc1 1636942195 XMSUOFSBPYQXCR-DVBNTOJCSA-N 448.563 4.976 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)n2)c(Cl)c1 1637066525 DXMIOOISZLINCS-UHFFFAOYSA-N 426.863 4.881 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc([C@H]3CCCO3)n2)nc2cc(Cl)ccc2c1=O 1639164339 IXHLOGZSZAFRPC-CQSZACIVSA-N 435.336 4.682 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1644868207 QOVWHBDBAOIJCG-XMMPIXPASA-N 425.594 4.900 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 1654503525 JFSDTPAASZXMFV-MSOLQXFVSA-N 448.972 4.507 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)ccc1OC 1656758674 BUSFLGUQVOGHSJ-KCLUMXDGSA-N 430.589 4.916 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCc3c(C)cccc32)cc1 1657306607 DXUXTPANKSDLSX-UHFFFAOYSA-N 428.536 4.674 30 10 IJEE C=C(Cl)CNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1657950992 GUQCOMABTDXSGP-UHFFFAOYSA-N 449.960 4.528 30 10 IJEE C=C(C)CN(C)[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)c1ccccc1 1659512575 ZNRJVDSQXCBLOJ-NRFANRHFSA-N 426.582 4.991 30 10 IJEE CSc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 1660949821 FCDUAVWQXQQRHJ-UHFFFAOYSA-N 426.538 4.810 30 10 IJEE C#C[C@@H](NS(=O)(=O)Cc1cc(Cl)sc1Cl)c1ccc(Br)cc1 1664134142 XPJOZXCXDYSFOA-GFCCVEGCSA-N 439.183 4.611 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc2c(ccn2CC(=O)OCC)c1)c1ccc(F)c(F)c1 1674376972 HJRAXZJSXSZORY-JOCHJYFZSA-N 427.451 4.922 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)C1 1676391258 FNIQALFFBWPICE-OAHLLOKOSA-N 447.992 4.500 30 10 IJEE CC1CCN([C@H](CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c2ccccc2)CC1 1677172306 HFWQHMBMIHFHRO-TWJOJJKGSA-N 430.596 4.941 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C(F)(F)F)cc1 1679306246 WBWNYXJMRLQBJB-UXHICEINSA-N 449.521 4.723 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(Sc4ccccc4)cc3)CC2)c(F)c1 1680576456 AMIVMBXRKUWWRM-UHFFFAOYSA-N 446.551 4.880 30 10 IJEE C=CCC[C@H](NC(=O)N(C)CC(C)(C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1 1680854303 FBFGQXGMNREFOA-FQEVSTJZSA-N 441.538 4.713 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCCC1 1683984420 ALDAOYNGQSJRMK-FQEVSTJZSA-N 441.620 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1689864623 FOVGBJVPFUBXGX-ULQDDVLXSA-N 438.469 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCN(C)C1CCCCC1 1690033327 VKKFNSXWKZXICO-RUZDIDTESA-N 431.628 4.547 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C(C)C)cs1 1690067199 UNYPWYJBVICUJM-UHFFFAOYSA-N 429.977 4.695 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1690182698 DMKRGEMKDNTSIX-HXUWFJFHSA-N 426.630 4.713 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1690408811 YFBOBDNJDKIGSG-UHFFFAOYSA-N 447.583 4.783 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC(Oc2ncccc2F)CC1 1690486256 BVVNBHCZRGVRJV-UHFFFAOYSA-N 439.510 4.556 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C1CC1)N(C)C 1690515737 SCLGFNZPIJVLSW-YLJYHZDGSA-N 432.012 4.651 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC[C@@H](C)N1CCCCC1 1690521124 QZQQCMHRCDNICW-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCCC1(C)C)C1CC1 1690553876 LDYPDCDWDLULSR-XMMPIXPASA-N 442.629 4.675 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1N(C)CCCC1(C)C 1690576001 KCKAPEMJHOUTCC-OAQYLSRUSA-N 438.645 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1c(CC)noc1C 1690577482 IAAIPWPMJYASPR-FQEVSTJZSA-N 427.574 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCOc1cccc(F)c1 1690580933 IJZLPTQBHIKWSN-HXUWFJFHSA-N 428.533 4.602 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CCC(=O)N1CCCCCC1 1690586961 XFYZJAXYBWOKRC-UHFFFAOYSA-N 433.556 4.662 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(C)C)C1 1690607284 JITWDAGWCUPSGO-OAQYLSRUSA-N 425.621 4.884 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CC(C)(C)C2)C1 1690685577 ADWQKERZENUCDS-UTKZUKDTSA-N 428.552 4.775 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CCC(OC)CC1 1705501980 BLSDONDMHLFJLZ-HWELCPFYSA-N 438.616 4.952 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1csc(C)c1 1705589551 RZNGVYDQRRIGDD-HXUWFJFHSA-N 448.592 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCOc1ccc(C)cc1 1705670635 CRYJFRAMIWZQOK-XMMPIXPASA-N 435.959 4.763 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)C(F)(F)F 1705671421 JTDBNTUBHHGMKC-OAQYLSRUSA-N 436.478 4.543 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2oncc2C1 1705684333 MMQBULMHMUUCAA-UHFFFAOYSA-N 442.361 4.702 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CC1(N2CCC(OC)CC2)CCCC1 1705712479 VGQGVFJHIYJWJX-UHFFFAOYSA-N 441.620 4.673 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 1705731544 WQSCWDOXKQXTMW-ICSRJNTNSA-N 448.995 4.506 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C(C)C)CC1 1705782023 MXEZWAPFARVZKU-UHFFFAOYSA-N 437.636 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705794547 MAEFKWHOFYMCJH-VXKWHMMOSA-N 437.632 4.749 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CSc2ccccc21 1705836522 WFMBQPCXXVMEMX-ZDUSSCGKSA-N 430.375 4.547 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC[C@@H](C)N1CCCCC1 1705836612 YZJXDVLGLUFSLR-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCSC1 1705878801 APZUYXOWZZYRNY-INIZCTEOSA-N 429.977 4.575 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1F 1705889730 ABSNFGKQFNFCNB-ZWKOTPCHSA-N 443.567 4.915 30 10 IJEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)CCO1 1708855602 ANKPREITJQZGQE-JYFHCDHNSA-N 444.583 4.657 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722321195 YOUNUBUBJRPRCD-UHFFFAOYSA-N 449.643 4.670 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722325651 BPVINUBHZDDAEU-OAHLLOKOSA-N 448.379 4.700 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1CC 1722504534 ZUXTYBMLRVDXEO-YYDVJCTNSA-N 442.629 4.939 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(OC)cc(OC)c1 1722510227 SFXLPUHFIORXHY-CVDCTZTESA-N 442.604 4.502 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722524431 NPXRLQQJBLKEOM-LJQANCHMSA-N 426.561 4.831 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1722642719 MPRHTTPRMSJIAC-OALUTQOASA-N 432.012 4.501 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CCC(C)(F)F 1722652331 CXSZBPKCUIWKDT-UHFFFAOYSA-N 427.499 4.895 30 10 IJEE CC(C)SCCn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1723731331 FESKTYIEQXLCNM-UHFFFAOYSA-N 430.581 4.647 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@@H]1CC 1740633943 ZFFZPMGRKKDHKP-JKSUJKDBSA-N 431.403 4.668 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CCC)OC 1740647714 YYJWTMVBSUSDPD-DEOSSOPVSA-N 443.595 4.631 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1740675738 VZXWQVCBMRZWJK-GOSISDBHSA-N 432.515 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1Cc1ncc(CC)s1 1740734346 ZJPWAEOTBLJFTF-XMMPIXPASA-N 435.597 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1Cc1ncccc1C 1740735097 JTNXGDAPTRIRHZ-HSZRJFAPSA-N 438.000 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCS[C@@H](C)C1 1740754357 RUHUOBGCRKSRRL-FKVLARQCSA-N 426.630 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](OC)c1ccc(F)cc1 1740776161 QNXHUCWNQHFBEE-FQEVSTJZSA-N 429.565 4.563 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(COC)CCC2)CC1 1740823517 CRODZDJGBMCRBW-FQEVSTJZSA-N 440.588 4.790 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C)nc2)C1 1740972774 MRRFZIXHCGCNIE-JTHBVZDNSA-N 447.583 4.568 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2[C@@H]2C[C@H]2C(C)C)C1 1740974418 LYXYRMJEJLNLQM-TXPKVOOTSA-N 449.368 4.845 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCN(C(C)C)C(C)C 1749078915 SXHIGHWCJIVOPW-AREMUKBSSA-N 437.632 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)C1CCC(C)CC1 1749141072 WRMIVRYDQCJVQU-YZISKIKGSA-N 442.579 4.992 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1 1749239937 QALKHMFDGNODPY-QZTJIDSGSA-N 448.658 4.502 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCSC2)CC1 1749330980 ANLFKAQOAOWPEE-MRXNPFEDSA-N 433.419 4.863 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccs1 1749690080 MWIJLSPRDGCWFS-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2CCC[C@@H]21 1749749978 USUOECSAILWJIR-GUYCJALGSA-N 437.382 4.755 30 10 IJEE Cc1csc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(CCC#N)CC2CC2)n1 1751748981 DDAFTJYEKKTCPJ-UHFFFAOYSA-N 430.940 4.681 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@@H](F)C1 1760211515 JAMQPTDGMILMNU-PZJWPPBQSA-N 447.583 4.978 30 10 IJEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1760306441 HHUPRBMWWUPBGP-HOCLYGCPSA-N 431.334 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC)(CC)C1 1760324488 KERQQHZRBPOPHD-RXVVDRJESA-N 429.634 4.632 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1760326560 XINZGQYLHACHSL-HYBUGGRVSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760331709 PVROMKCKAAHVEI-KRWDZBQOSA-N 432.597 4.849 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2cnc(C)s2)CC1 1760382817 YYOXNHOLWFUUHO-KRWDZBQOSA-N 439.585 4.786 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCCOCC2CCOCC2)CC1 1760386267 QPKONBXOEKMHLW-UHFFFAOYSA-N 430.980 4.588 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 1760399144 ARWCJGFVCNXPHS-OAQYLSRUSA-N 437.613 4.721 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C1CC1 1760483461 QHJMCNXKMIFWNG-FQEVSTJZSA-N 441.938 4.750 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCSCC(F)(F)F 1760484371 XEMBSWNANRKACP-QGZVFWFLSA-N 444.498 4.757 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2ccco2)C1 1760559855 LNOQEFHHGSJOIG-IFMALSPDSA-N 438.597 4.910 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@H](C)C1CCC1 1760563831 FRJDMWRUIZHNRR-MRXNPFEDSA-N 438.601 4.528 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(F)F)C1 1760564415 YPDRAMKSJVCPLE-KRWDZBQOSA-N 444.555 4.532 30 10 IJEE CCC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1765552704 GGJOMNVUDVLUPW-AVRDEDQJSA-N 425.577 4.526 30 10 IJEE COCC1(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C#N)cc2)CCCCC1 1769325572 HJPPBVSUVSOCLY-UHFFFAOYSA-N 433.556 4.952 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(NN=Cc3ccccc3Cl)n2)cc1 1772721307 GUPDHMYFKULFSX-UHFFFAOYSA-N 449.001 4.940 30 10 IJEE CN(C)S(=O)(=O)c1cccc(-c2csc(NN=Cc3cccc4ccccc34)n2)c1 1772723559 GDEJGUGFRCYIQV-UHFFFAOYSA-N 436.562 4.660 30 10 IJEE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=Nc1nc(-c2ccccc2)cs1 1772734976 GAEHAIFKPZWAOL-KMYLBQJISA-N 444.541 4.922 30 10 IJEE O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)ON1C(=O)c2ccccc2C1=O 1772789531 AMTGMZRTDMSXJD-OAQYLSRUSA-N 437.904 4.917 30 10 IJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](C)Oc1cccnc1NC(=O)c1cccc(C#N)c1 1858752807 BSIFODUGNGNEBP-JHBZICRXSA-N 449.551 4.977 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 1860734599 HOWVXDXRYAINMQ-IRBHKUKESA-N 433.548 4.797 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862385101 HOCISAKCHHUYPW-SFHVURJKSA-N 436.291 4.783 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1862435878 HHYKOGPGPKTZPZ-IBGZPJMESA-N 438.823 4.620 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(N(C)C)cc1 1862459262 GGBHNLVIIVKXAR-NRFANRHFSA-N 446.469 4.938 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862505702 RLRPSCMJXAHSGE-QFIPXVFZSA-N 439.483 4.674 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862534961 VQZSMPZPYMNTDT-QHCPKHFHSA-N 432.520 4.735 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862617518 HPGLWIHNHXSKBV-JOCHJYFZSA-N 435.520 4.916 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C(C)C)cc1 1862645254 DMKAWTHPNPJZBW-JOCHJYFZSA-N 440.515 4.667 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(F)c2)cc1 1862702943 PNSKOKNLWORTPF-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)c1 1862713465 PJDWDWLFIGDCSE-XMMPIXPASA-N 429.516 4.889 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862717888 NWGHMUMCISEONH-JOCHJYFZSA-N 430.460 4.982 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(Cl)c2C)C(=O)N(c2ccccc2C#N)C1=O 1863065499 QSPJKDKASOUUDE-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Cl)C1=O 1863074208 SBIZNOWDYSSEHJ-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CN(C)c1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863076443 NZMANXMJWRXTMV-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1 1863446660 HNRIWULKUTWLOZ-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1cccc(C#N)c1 1866652182 STZMLFSPJUMBSS-JOCHJYFZSA-N 444.535 4.686 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)/C(C)=C/c1ccccc1 1868748116 IABIBTRETLRLFU-XGMDJLNPSA-N 434.605 4.709 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1Cc1cccnc1 1870406239 NVDNIFPHEYGKDK-UHFFFAOYSA-N 435.955 4.698 30 10 IJEE C#CCOc1cn(CCCCN2CCCC2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871007411 BNBJTXVPQOAODW-UHFFFAOYSA-N 448.394 4.655 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871411591 PNGXVJJPFYDRJP-QRVIBDJDSA-N 449.503 4.926 30 10 IJEE C=CCN(CC=C)c1nc(=Nc2ccc(Cl)c(Cl)c2)nc(N(CC=C)CC=C)[nH]1 1871732720 CUKVVAHQXBCWFQ-UHFFFAOYSA-N 431.371 4.701 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872005442 UYADFTRSPKEADM-OFNKIYASSA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872454604 YFRXKKXGODRJRJ-FQEVSTJZSA-N 438.952 4.628 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3C)cs2)c([N+](=O)[O-])cc1OC 1872772795 TUMUERYISUZYOC-INIZCTEOSA-N 437.477 4.842 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccc[nH]1 1874196519 OFAOMNVHELVIJX-ZVHZXABRSA-N 427.574 4.876 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874310562 CEYZXIHRLUOFQY-NLRVBDNBSA-N 431.565 4.617 30 10 IJEE Cn1cccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccc(F)cc1 1874344913 LGPRGEGPUGJGNT-PCLIKHOPSA-N 435.528 4.552 30 10 IJEE CCCSc1nnc(CCc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874404566 DWXPXCCAVOXJRG-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2)c(C)c1 1874469067 MHDVCDJPJCOHJS-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(F)cc1F 1874482970 XHHISSGOXJDEAD-FOKLQQMPSA-N 431.468 4.937 30 10 IJEE CCCCCOc1c(Br)cc(/C=N/n2c(CC)nnc2SC)cc1OC 1874522624 CLSJTSZJUMQHBI-UDWIEESQSA-N 441.395 4.785 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OCC(=O)N(CC)CC 1874609412 PYMASEFLCPCZKG-MDWZMJQESA-N 445.943 4.891 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1874634083 KMEXVHDSHCMIKY-SOFGYWHQSA-N 432.900 4.894 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3)c2)c(OC)c1 1874714050 BCFCYAGBEUDGSV-UKTHLTGXSA-N 448.471 4.593 30 10 IJEE O=C(Cc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875118143 UNMPISUAJFDSPC-WUXMJOGZSA-N 432.388 4.547 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2cc(Br)c(C#N)cc2F)CC1(C)C 1878905715 OKXKLNAHKAOSCB-GFCCVEGCSA-N 426.330 4.907 30 10 IJEE CC(C)c1cc(C(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)c2cc(F)ccc2n1 1890313341 MSXFSOVPRLFVJF-UHFFFAOYSA-N 431.515 4.505 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1902371598 KGBOSNOXXSVQMY-UHFFFAOYSA-N 437.499 4.877 30 10 IJEE C=C1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 1903861699 ALTRINCJVPIQNK-JHHKTOMPSA-N 428.613 4.605 30 10 IJEE C=C([C@@H](NCCC)[C@@H](O)c1cc(Br)c(Br)o1)[Si](C)(C)C 1922926195 IBFWCNVDYCQFQZ-OLZOCXBDSA-N 425.237 4.640 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1937518460 AFTCCAUVUZOYAJ-IFXJQAMLSA-N 435.487 4.715 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1ccc(F)c(F)c1 2033813312 NVIRIIHZKNGEPR-LJQANCHMSA-N 429.419 4.944 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CN(Cc2ccccc2)[C@]2(CCOC2)C1 2038664250 BRXGZBPQSRDEJC-FTJBHMTQSA-N 439.600 4.884 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(Cl)c(Br)c1F 2047969842 FENFTAWXOZXQPW-UONOGXRCSA-N 435.765 4.971 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080005257 JTNWVMICDZESRR-CQSZACIVSA-N 432.240 4.789 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1F 2080119662 OEOFZGKBWQRSCJ-ZDUSSCGKSA-N 438.219 4.866 30 10 IJEE CCc1nn2c(Cl)c(C#N)cnc2c1-c1cc(C(F)(F)F)cc(Br)n1 2081531210 JGWULFIHJPVAEH-UHFFFAOYSA-N 430.615 4.660 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2118192712 RTJQBLAHNSTSCV-ZIAGYGMSSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181045752 NPOMFCKVOQFPBN-UZLBHIALSA-N 436.350 4.733 30 10 IJEE CN(C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)c1ccc(C#N)cc1 2181052152 CPRRRISAESLZHV-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE C[C@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(C#N)cc2Br)CN1C(=O)OC(C)(C)C 2181114367 JWRYOKQALJNRQE-VNHYZAJKSA-N 436.350 4.541 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2235730377 OLLZBEFXNCKKTE-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCN)CCC(F)(F)C[C@@H]1OCc1ccccc1 2252543037 FQSNPVCEBBXUFP-ZCYQVOJMSA-N 431.523 4.878 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(F)cc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2266991854 LQCIHESOYJYOAM-UHFFFAOYSA-N 448.344 4.805 30 10 IJEE C=CC[C@]1(COc2cc(F)cc(Br)c2N)CCN(C(=O)OC(C)(C)C)C1 2272234274 NBYCESRSRZXWTK-IBGZPJMESA-N 429.330 4.753 30 10 IJEE N[C@@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)c(I)c1 2278770560 FLTGCBSVLZVKAO-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)o1 2278787479 ZMXVWLMVHGPJNW-GFCCVEGCSA-N 447.952 4.879 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1c(F)cccc1I 2282787066 MGIUXRZSPCACAE-OAHLLOKOSA-N 444.085 4.505 30 10 IJEE C=CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)SC1=S 2294028591 YIMJRXDMRLIOLF-UHFFFAOYSA-N 426.563 4.576 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C12CCC(CC1)CN2C(=O)OC(C)(C)C 2296306893 NFDZFMACQQWQDD-OZWAEMERSA-N 433.390 4.568 30 10 IJEE O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Br)cc2)C1=C(O)c1ccccc1 2296936170 DIDIEVUXBIJBPG-MRXNPFEDSA-N 441.306 4.532 30 10 IJEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353204 FTZOPOLGQBBILJ-SJLPKXTDSA-N 432.370 4.797 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)cc1 2322698839 RAOUTTBHRHEVML-UHFFFAOYSA-N 444.439 4.626 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)NC1CCCCC1 2323168556 IHNYLYSDKNZMGS-UHFFFAOYSA-N 425.500 4.867 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)c([N+](=O)[O-])c2)c1 2323494616 RKDILYRBJWYMLO-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE Cc1c(OC(=O)CCOc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323686514 IUHHRTWAEZKQBD-UHFFFAOYSA-N 445.427 4.894 30 10 IJEE CCOc1cc(C=NNc2nc(-c3ccccc3OC)cs2)cc([N+](=O)[O-])c1OC 2323866083 PBQRJAQABYSBKU-UHFFFAOYSA-N 428.470 4.580 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1cccc(OCC)c1 2325552456 RYPQEMADXJOVDD-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)c(OC)c1 2325726938 SYCRBMLWBAHOMC-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCOc1ccc(C=Nn2c(CCCOc3ccc(OC)cc3)nnc2SCC)cc1 2326256479 MMFQHTFJHZIWEH-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(Cl)c2)cc1[N+](=O)[O-] 2326467659 TWIMFYDTEYHHBT-UHFFFAOYSA-N 431.905 4.721 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cc(Br)ccc1O 2328542614 ISDSWVLZYRTASW-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(F)cc1 2329459653 DSIWOYJXPDQDIU-UHFFFAOYSA-N 440.544 4.552 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1c(F)cccc1Cl 2330872428 CXNRZXZRTXUDAM-UHFFFAOYSA-N 440.972 4.833 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1OC(C)C 2330873270 FQLCQFQBRJHDKX-UHFFFAOYSA-N 446.617 4.827 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)(C)C)cc1 2331394007 SEQQPNICUWWWNE-UHFFFAOYSA-N 442.541 4.528 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccs2)c1 2331424657 DMVGIYFOXWUXFJ-UHFFFAOYSA-N 427.599 4.768 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCC(=O)Nc1ccccc1F 2331430398 PSMYELMZLKKFDY-UHFFFAOYSA-N 431.562 4.599 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)c1OC 2331492945 DIMWMPZIRSZQDR-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C(C)C)cc1 2331709600 OEMKYJRSOCTSOH-SFHVURJKSA-N 435.597 4.816 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2F)c(C)c1 2331712793 LVUURHKKHSLDMH-UHFFFAOYSA-N 443.523 4.910 30 10 IJEE CC(C)(C)C#CC[C@H](OCCCN)c1sc(Cl)cc1I 2366650470 OAGKSNUOPRIYLI-LBPRGKRZSA-N 425.763 4.852 30 10 IJEE C=CCN1C(=O)COc2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 16661246 HZZFMWPPMKWTOG-UHFFFAOYSA-N 444.331 4.888 30 10 IJEE Cc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCCCC(=O)O)cc1 33411084 AZGFIOJAYMTYNX-LFRSYBKYSA-N 433.504 4.618 30 10 IJEE CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C1=O 34719725 MPDMMYBNLJZURQ-DAMKXSJNSA-N 443.544 4.867 30 10 IJEE Cc1ccc2c(Cl)c(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccco4)c3O)sc2c1 38619164 HCMUQBBHHUGBQI-UHFFFAOYSA-N 438.892 4.783 30 10 IJEE CN(C)c1ccc(/C=N\N=C2\S/C(=C\c3ccccc3F)C(=O)N2Cc2ccco2)cc1 47139253 YFRRKBYYPKONDT-DOPZRVNGSA-N 448.523 4.991 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc1 100153983 OPHHNPJAGRXTGZ-UHFFFAOYSA-N 431.514 4.776 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 102718888 PTIIHZGVJZQKFD-HQMFNGAOSA-N 432.457 4.524 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 103109464 ACZBLHXKIFAVBZ-GOBJLOIFSA-N 434.517 4.703 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 169906948 RUKGSTRJAHIVIH-ZVHZXABRSA-N 432.586 4.617 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)cc1 170011032 SUKRUGRRZHWFPJ-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)c1 170051575 MIBGOXAZRHPTMH-NRFANRHFSA-N 447.874 4.910 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)cc1 170161253 PMWMLUKTTLQDET-JOCHJYFZSA-N 442.496 4.728 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)c1 170175079 MWDOOTHDAWVFMN-DEOSSOPVSA-N 440.499 4.757 30 10 IJEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)cc1Cl 170182041 DXDYLHRXAAUMNB-SFHVURJKSA-N 447.318 4.918 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccnc1 170191049 CDPAJDWJGHAPME-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1C 170241211 ALYCHPOPOBMCNR-JOCHJYFZSA-N 435.451 4.904 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC(C)C)cc1 170265259 IDCOZJHAGPUTPZ-MZNJEOGPSA-N 449.547 4.576 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(C)o2)c1 170300021 HHMHIMJNRFERLG-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(F)cc1 170313924 PDGVREFNLJLSGE-SFHVURJKSA-N 438.436 4.887 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2sccc2C)c(OC)c1 170314857 MIAXNIHOIPHNNR-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Cl)ccc1I 406087792 DGYPLYRBMFEOJP-CQSZACIVSA-N 449.716 4.526 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C 439220412 DTRHBYIRJYTZIQ-QGZVFWFLSA-N 430.512 4.983 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 476115668 YYWWKQHYBFWCRG-UHFFFAOYSA-N 440.609 4.886 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccnc2)cc1OCC 526607688 SZTMTTFWSLWIAR-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(Sc2ccccc2)C1=O 526658399 JFIFJLMVTFMSOU-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1Cc1ccccc1OC 567314049 WAZWSKXVCYOYBT-LSQMVHIFSA-N 444.579 4.929 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)c1 585911177 JMDVUFWIUIKTMH-UHFFFAOYSA-N 434.584 4.628 30 10 IJEE COc1cccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)c1 586090649 DNNXDLCJKMSJLV-JQTZQCRZSA-N 435.568 4.517 30 10 IJEE CCCCS(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(N2CCC(C)CC2)cc1 586192921 YONKBQUPXHIPAZ-UHFFFAOYSA-N 425.598 4.931 30 10 IJEE COCCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc2cc(Cl)ccc21 598583422 AAUZMACGGBVFEZ-JXORXQGFSA-N 449.020 4.748 30 10 IJEE C=C(COCCC)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686824088 VOEYRKWHIRYIMV-HSZRJFAPSA-N 445.648 4.507 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cn(C(C)(C)C)nc2Br)cc1 774571276 QSDKOZSLXXSBJF-UHFFFAOYSA-N 434.334 4.662 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nn(-c2c(F)cccc2F)cc1C 786931349 XDHOHIVCDKEPNV-KRWDZBQOSA-N 436.462 4.545 30 10 IJEE Cc1ccc(-c2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)cc1C#N 809243302 DGPJPCJASYMBJB-UHFFFAOYSA-N 425.473 4.885 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2cccc(C)c2)ccc1F 1124388361 HXGOMLMLSQIEQE-UHFFFAOYSA-N 440.496 4.643 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc(C(F)(F)F)cc2C(=O)OCC)c(OC)c1 1129411415 JFYZZNJHHJYSBJ-UHFFFAOYSA-N 443.443 4.698 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 1129663674 JOLATSXZDKXYKR-RTWAWAEBSA-N 431.363 4.902 30 10 IJEE C#C[C@H](CCC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 1129727759 HNUSCJKURKNXIJ-OAHLLOKOSA-N 439.412 4.918 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)N2CCc3cc(C#N)ccc32)[C@@H]1c1ccc(Cl)c(F)c1 1129758390 BZGUQKKXDWJRGY-JTSKRJEESA-N 439.918 4.628 30 10 IJEE C=C(C)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)c1 1134838340 WPRJFGGHEQFFBW-UHFFFAOYSA-N 446.326 4.965 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1 1140312951 IFYWFSQCICLOIN-UHFFFAOYSA-N 436.519 4.605 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(OC)CCC1 1142242184 FCZKXLJSPIZZEF-DEOSSOPVSA-N 448.563 4.545 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Sc1ncccn1 1144709280 OUJDPVZOABAXRG-KRWDZBQOSA-N 428.558 4.816 30 10 IJEE C=CCn1c(SCc2ccc(OCC(F)(F)F)nc2)nc2sc(C)c(C)c2c1=O 1164584090 QIGREKZWLMTGCT-UHFFFAOYSA-N 441.500 4.889 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 1215094086 NOLCYEIVGGNRJB-UHFFFAOYSA-N 449.482 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)C1 1219030510 AYTSNLOPGMLZSO-SFHVURJKSA-N 430.524 4.588 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(SCC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1227108711 MJPPYZTZSPQPNY-GOSISDBHSA-N 445.629 4.904 30 10 IJEE C=C(CC)CNC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1230063246 PHDFRHOXCOJUGN-IBGZPJMESA-N 429.561 4.545 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)C1 1252682400 DAEWEFIZIKWDNX-FPOVZHCZSA-N 425.573 4.578 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC/C=C/c2ccc(Br)cc2)cc1OC 1273800228 VKTRDHXZQGSIPP-CCKNLQGCSA-N 428.326 4.865 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1286356108 APGIOHZVCLGRMH-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC=CCC1 1286469734 XWWIVEANLQDCDU-KRWDZBQOSA-N 449.382 4.606 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(F)ccc2OC)CC1 1286650620 GQCDTBCYWFGQSO-TZIWHRDSSA-N 428.552 4.549 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CSCCS2)CC1 1286664541 YXGMCWGKZNPCIL-FQEVSTJZSA-N 444.670 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C#N)C1 1286668223 PYXZTECBVRKLBG-GOSISDBHSA-N 425.602 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286674872 XIDBLNXQDACOIT-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286691868 STINRPHOMOGTCR-HYBUGGRVSA-N 442.629 4.619 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(C)C)C1 1286707457 CUAVASQIJMKMEI-OAQYLSRUSA-N 434.588 4.800 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2noc3c2COCC3)n1CCC=C(C)C 1286740395 LFLIKUGSHOCSKB-UHFFFAOYSA-N 449.555 4.563 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1286747889 OMUFRNLJLBSVBD-VQTJNVASSA-N 438.645 4.658 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(COCC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286765613 GVUGMTRZZOSTRB-SJORKVTESA-N 426.483 4.936 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1286834327 DFWBBVPKRJJAJZ-OALUTQOASA-N 428.671 4.998 30 10 IJEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1287610447 FHTMWTOLRNKJQP-HSZRJFAPSA-N 434.632 4.811 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccccc1 1289587020 PUCFFNKAZKCRAA-MMTVBGGISA-N 432.954 4.509 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCCCC2)CCS1 1293559493 BSZOFXNRFIMNMK-NRFANRHFSA-N 439.629 4.745 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2Cc2ccc(Cl)s2)c1 1300331255 HDIJHZBFMLLKOF-HNNXBMFYSA-N 441.988 4.611 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](OC)C(C)(C)C1 1300349277 XQFAHVZYNOKLJX-HSZRJFAPSA-N 448.567 4.782 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1300371428 SFUAOJFPRYTUPH-PMACEKPBSA-N 445.007 4.669 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)CCCCC)CC1 1300394514 RFAYOMRNQNAXAF-UHFFFAOYSA-N 447.583 4.770 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)c1ccc(C)cc1 1300408820 NZPKCJUUJXCALA-HXUWFJFHSA-N 437.588 4.882 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@H](C)C1 1300569666 PQSUOMYESPERTJ-DLBZAZTESA-N 443.364 4.746 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@@H](C)C1 1300742255 BYVWUCFFJTWGKI-INIZCTEOSA-N 432.684 4.584 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@H](C)COc1ccccc1OC 1300789422 LUUGYHCGUWHGJY-AVRWGWEMSA-N 434.540 4.562 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)(C)C)CC1 1300878067 ZRVVWTGLMGWVEZ-GGAORHGYSA-N 449.599 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1300881798 RDCGSMLCSFSBBQ-KKSFZXQISA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cccn(CC)c1=O 1300900004 LLJMLNYBDSMGRT-NRFANRHFSA-N 449.599 4.667 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H](C)CC 1300980563 KIEQOKPROOURES-HNNXBMFYSA-N 439.373 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1301159576 BYRKHATXMLWEKS-JOCHJYFZSA-N 447.539 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1301160208 NZEOOUZWPCETEY-FCHUYYIVSA-N 439.648 4.995 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](CC)C1)c1ccccc1 1301167848 GLWPRQAMFRVMCN-QPTUXGOLSA-N 448.615 4.503 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1301170384 TZMDPJIWMIKUJM-AZUAARDMSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1301190243 PEXGPIFRVXGCGB-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1301397608 XYKULTNGTJDAEK-KAOXLYBCSA-N 443.680 4.743 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@H](C)C1 1301415700 ZYXCEFKFZVTKAL-RTBURBONSA-N 444.645 4.729 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CCCC2)C1 1301618287 NXXFBUAPJUWBQZ-UHFFFAOYSA-N 426.630 4.762 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1303063194 CSLWAADZZKGEDY-JYFHCDHNSA-N 446.599 4.788 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 1307452004 BSDKLXXZAIOTLK-FDDCHVKYSA-N 443.950 4.805 30 10 IJEE COc1ccc(C[C@H](C)CN(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)cc1 1309364730 HQUXBPFLCMNGBF-HNNXBMFYSA-N 428.579 4.589 30 10 IJEE C=CCC1(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CCCCC1 1309501790 UIIXXYLXLJBZLX-GOSISDBHSA-N 427.994 4.845 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)cc1 1310168647 VAUVNWBRMRXECE-UHFFFAOYSA-N 425.532 4.631 30 10 IJEE Cc1ccc(C2=NO[C@H](CNC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)cc1 1310283563 FDSKRMPDJAUZAO-QHCPKHFHSA-N 426.476 4.974 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)C1 1310646928 MRTRMIFAXNHIIF-KRWDZBQOSA-N 431.533 4.755 30 10 IJEE CCCc1ccc([C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)c2cccs2)cc1 1311551982 ANADHCBTMLBYJW-XMMPIXPASA-N 445.592 4.588 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)NCc2ccccc2SC(F)(F)F)CC1 1313394781 FLHFFQMEMURPOU-UHFFFAOYSA-N 434.487 4.592 30 10 IJEE C=CCN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1348496541 BSGPDDJBKPFEMR-GOSISDBHSA-N 425.554 4.943 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2oc(C(F)F)cc2C)c(C(=O)OCC)c1C 1352793745 VYSGJIQIFLVWIH-UHFFFAOYSA-N 427.425 4.667 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 1358007747 XXSZAUVFDZRLEY-BKMJKUGQSA-N 434.536 4.831 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC1CCCC1 1358887791 CAFYCYDQEOGBDS-LJQANCHMSA-N 443.636 4.821 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCCC1 1359001213 OHMXQNNSXZXVSA-JOCHJYFZSA-N 437.632 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCn2cc(C)nc21 1359115916 QSUZJJQNFWBARL-QHCPKHFHSA-N 432.616 4.938 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359185207 OLZTZBBTJZEBMM-UHFFFAOYSA-N 443.592 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1[C@@]1(OCC)CCOC1 1359193004 UPFZQOZCCJBQFS-CJFMBICVSA-N 442.579 4.666 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359200338 BAFZFDYPJTVFEL-GOSISDBHSA-N 425.964 4.951 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1359213684 CRQLKWGRGTXRAB-UHFFFAOYSA-N 428.540 4.534 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(OCCC)c1 1359232912 JYVNYJUWBHYBPS-UHFFFAOYSA-N 444.377 4.689 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(OC)C1CC1 1359260999 UFINJFQKOVRYES-RUZDIDTESA-N 435.547 4.795 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2ccccc21)C(C)C 1359265250 BUDUZQFOTIAFHU-LADGPHEKSA-N 435.616 4.565 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F 1359275475 VEDYMVRLRJGDOC-RTWAWAEBSA-N 430.543 4.843 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)CC2=O)cc1 1434923746 BRHGBNJVCSVFDM-KRWDZBQOSA-N 431.879 4.996 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c1 1435005965 XBIMVKGMLUCSDH-UHFFFAOYSA-N 436.393 4.707 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCCC1(C)C 1436084218 UKFRUVSRALJHQU-XLIONFOSSA-N 434.527 4.734 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)c1 1446801625 FYSLLOGOCVKBIE-AWEZNQCLSA-N 436.360 4.550 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2cncc(Br)c2)cc1OC 1456072730 ZWEWBACKXRIMCC-XSBJJCPUSA-N 443.341 4.794 30 10 IJEE C=CCn1c(SC[C@@H]2CNC(=O)C2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1458750020 DDTLFOIKRKCDAC-HOCLYGCPSA-N 430.643 4.572 30 10 IJEE Cc1c(C#N)c(NC(=O)CSCC(=O)OC2CCCCC2)n(-c2ccccc2)c1C 1459051810 DEXHPUUOPZMGLE-UHFFFAOYSA-N 425.554 4.513 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]2c2ccc(F)cc2)n(Cc2ccc(F)cc2)c1C 1460360946 BWBHDOJHXWSZHE-QHCPKHFHSA-N 434.490 4.689 30 10 IJEE C#C[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1F 1460787520 LMNWGLVMQWONBG-SFHVURJKSA-N 432.282 4.996 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 1461527585 CZCPINYVASJTOB-FXAWDEMLSA-N 439.021 4.769 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3C)cc21 1463119725 RYVMRLINRVQXBB-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE CC(C)(C)Oc1ccc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C(F)(F)F)c1 1463183228 CWMIOEUJKAOPNH-UHFFFAOYSA-N 446.878 4.886 30 10 IJEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 1463726661 PEOHTLALQSKSBQ-UHFFFAOYSA-N 427.909 4.623 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 1466817233 XAEMOWCWSXJIRU-AAEUAGOBSA-N 437.256 4.588 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC3CCN(C(=O)[C@@H](CC)c4ccccc4)CC3)cc2n1 1467353663 OSVPHMBUBLQYAD-QHCPKHFHSA-N 445.567 4.529 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O 1470270333 QNVDIIPMUBDGCE-AUSIDOKSSA-N 439.531 4.597 30 10 IJEE C#C[C@H](NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 1470661566 AEMJNTNMLMXSBS-QFIPXVFZSA-N 430.379 4.975 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3F)cc21 1472163474 QCWULBJPZXIRMF-FQEVSTJZSA-N 442.466 4.705 30 10 IJEE C=CC[C@H](C)NCc1ccc(OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OCC)c1 1474005687 DUUTWZZTVNGERJ-UTAZYMRLSA-N 428.617 4.946 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 1475900220 MKRMSTTZGUNJCZ-IAGOWNOFSA-N 431.577 4.831 30 10 IJEE Cc1cccc(-c2cc(Cl)ccc2NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1476505803 GXZAMNSVBGGHMA-UHFFFAOYSA-N 431.927 4.936 30 10 IJEE C=CCc1cc(CNC(=O)N(C)Cc2cscc2Br)cc(OC)c1OC 1477657147 FXJGGRQUXZMCCS-UHFFFAOYSA-N 439.375 4.598 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1477912083 CSFHKONIFGPUEZ-IERDGZPVSA-N 434.458 4.942 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1478438752 UILULHGLVQBEKX-UHFFFAOYSA-N 439.531 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1507543852 RVXGZLYURQYESG-LPHOPBHVSA-N 449.624 4.561 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](OC)C(C)(C)C 1507544162 SMCFNPGFIIQDJX-NQIIRXRSSA-N 426.605 4.674 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1507566561 KUMKOHJYLOSHEN-NRFANRHFSA-N 449.624 4.830 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N[C@H](C)[C@@H](OC)c1ccccc1Cl 1507589948 SYCQTAYWYKUNDJ-QVKFZJNVSA-N 444.004 4.889 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1507590785 GMGSYDGBEFLQOO-LJQANCHMSA-N 437.588 4.824 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@](C)(O)C1CCCCC1 1507699790 KVZJIBJOUZDOBX-CLOONOSVSA-N 426.580 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)c1ncc(C)s1 1507814079 BVILZCZYWRDAFA-INIZCTEOSA-N 441.601 4.933 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 1507924321 LLWOUZVRGHBOIE-RBUKOAKNSA-N 426.515 4.520 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(C#N)C1 1507958893 JUWGFHLINSCPBX-DEOSSOPVSA-N 439.629 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CSCCS1 1508012501 YMFJFFSGXPBVOE-INIZCTEOSA-N 437.034 4.634 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccc(F)cc1 1508019844 HXJWBHMHDRLZEF-VLCRHTCISA-N 442.579 4.982 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1cccc(OCC(F)(F)F)c1 1508421936 DQHZWBNDOFVAET-INIZCTEOSA-N 435.494 4.596 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CCS1 1513599322 AXRBUCNMWTVLTI-WIYYLYMNSA-N 439.629 4.601 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3CCCc3ccccc3)CC2=O)cc1Cl 1517443812 ICORMDSYPCVVGA-SFTDATJTSA-N 435.955 4.578 30 10 IJEE Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(Br)c2)c(Br)c1 1521093085 FUPWBSDCUWLOLM-NSHDSACASA-N 438.119 4.798 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)C(F)(F)F)cc1 1521343607 GAKYKOTZEQVAFO-OAQYLSRUSA-N 444.409 4.546 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)cc1 1523486024 HNPCLLIOQRUIGG-INIZCTEOSA-N 426.538 4.774 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H]2CCCc3c(F)cccc32)nnc1-c1ccco1 1523953500 HRTATPTWMPWKCE-SFHVURJKSA-N 426.517 4.539 30 10 IJEE C#C[C@@H](NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)c1ccc(Br)cc1 1525054317 LNBXVIMIGSKUAR-JOCHJYFZSA-N 434.337 4.681 30 10 IJEE Cc1c(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)nnn1-c1ccc(F)c(F)c1 1527037388 BQPUBDGZISVFDZ-QWRGUYRKSA-N 427.480 4.725 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)c1 1527974795 INANRGXPINKDNR-UHFFFAOYSA-N 440.450 4.946 30 10 IJEE C=CC[C@]1(C(=O)OCc2ccc(OC)cc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1531296715 ZDRPDUCGYOWNFR-JOCHJYFZSA-N 441.471 4.686 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccc([C@H](C)CC)cc2)C(C)C)ccc1F 1531421434 HAEQXSPVCBQKBA-HXOBKFHXSA-N 446.588 4.931 30 10 IJEE N#Cc1sccc1C(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 1532226377 GNEBZQVGHXXABW-UHFFFAOYSA-N 430.312 4.634 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)c(Br)c3)CC2)c(F)c1 1532852210 GLSLBSQQSACLOR-UHFFFAOYSA-N 436.712 4.968 30 10 IJEE CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1533294853 BVRVYNSRWNWQTD-AWEZNQCLSA-N 436.726 4.530 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC2(C)CC2)c1 1539118400 SDCABIXGANZOBK-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)c1ccccc1 1539187128 UDVWZIHUPPWMLH-GDLZYMKVSA-N 426.416 4.737 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(C)s1 1539291740 XFWSDUOUYFDTLZ-UHFFFAOYSA-N 432.593 4.780 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccsc1 1539607329 CEZBIVZDSNEIGZ-UHFFFAOYSA-N 433.375 4.772 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C2(CCC2)C1 1539723701 YCFXPYHFEDWJGN-OALUTQOASA-N 429.609 4.943 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539749960 FLOHRRIGFMBEJN-CALCHBBNSA-N 438.950 4.843 30 10 IJEE C=C(Cn1c(N(C)C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1539771589 YWQWPJDJRDQVMV-BGYRXZFFSA-N 437.588 4.751 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C(C)(C)C)no1)C1CC1 1540115123 UBAYAUHIQFSZAJ-UHFFFAOYSA-N 435.572 4.963 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1540147925 XKQLTTDWYOYMSW-MJGOQNOKSA-N 445.633 4.740 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCC1 1540154704 BRVOEVXTPAQADT-SFHVURJKSA-N 430.980 4.782 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@@H](C)C1 1540180797 VFZQFYIKUMYLPE-UNMCSNQZSA-N 436.625 4.981 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCS[C@@H](CC)C1 1540882014 ZLQUCWHIKJRCNQ-FQEVSTJZSA-N 440.638 4.875 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCOC1 1542128430 AGIKOEKKLXYNGE-GUDVDZBRSA-N 445.995 4.853 30 10 IJEE C=CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1OC 1544309459 KDZAQSVHAPOCSR-UHFFFAOYSA-N 434.580 4.921 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCOc1ccc2ccccc2c1 1545695073 DQQCUNSVQWDDKH-UHFFFAOYSA-N 427.504 4.789 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1546069074 CRUMIDWJNNQQRI-OXQOHEQNSA-N 449.507 4.798 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CCCc3ccccc3)c2)cc1 1546216365 PCKRVQSDAWVUHI-UHFFFAOYSA-N 434.561 4.579 30 10 IJEE C=CCn1c(SC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1-c1cccc(OC)c1 1559382007 PWVBEBAILMCHRS-FUHWJXTLSA-N 444.601 4.925 30 10 IJEE C#CCCOC(=O)Oc1c(Br)cc(Br)cc1Br 1561080547 PIKLAJXWTMJXGM-UHFFFAOYSA-N 426.886 4.513 30 10 IJEE C=CCC[C@@H]1CCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1561989176 JDRABKDDMWDTAA-DSNGMDLFSA-N 442.600 4.554 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccnc(Oc2ccccc2Br)c1 1562389635 HCRIBDOMBRCVDX-AUUYWEPGSA-N 432.318 4.739 30 10 IJEE C=CC[S@@](=O)(=NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 1586026812 BSKIXZYDKICRCI-DEOSSOPVSA-N 428.735 4.721 30 10 IJEE C=CC[C@@]1(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CCCN1C(=O)OC(C)(C)C 1586934275 PETYJFQMBRCNAQ-BTYIYWSLSA-N 440.993 4.647 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 1587591973 CBQHQLKUVWPGNL-LBPRGKRZSA-N 425.259 4.916 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 1587775842 AIRBTLRSPAMNPU-UHFFFAOYSA-N 429.524 4.857 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCSC(C)C 1588089343 IWWXYRRKRGGNKF-UHFFFAOYSA-N 435.622 4.591 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1CCOCC1 1588271490 KCLAJWJHLWFVRJ-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 1589078629 USJYKAJFCFJMBS-GOSISDBHSA-N 439.654 4.837 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1589316423 BOEJUPIHKULSRA-ZWKOTPCHSA-N 449.393 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(Cl)nc1 1589608913 QKAQZTSDWFKBFU-UHFFFAOYSA-N 435.757 4.535 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OCC2CC2)C1 1593611136 NIKZSHCKWHVANM-QGZVFWFLSA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CCC=CO2)CC1 1594035316 HTMSJZBCRVWOSZ-KRWDZBQOSA-N 445.361 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CC=CCC1 1594492274 XIZGCEOKNZDTKP-GOSISDBHSA-N 432.572 4.989 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H]1CCCOC1 1594573566 UPMGJALSZKMLKU-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1595319174 DAQQBLPJVYVPHU-GGPKGHCWSA-N 430.980 4.880 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1 1595598899 IQAXPMGGANEBSJ-DOTOQJQBSA-N 440.968 4.697 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H]1CSC 1595871274 LUZDPRWBQLYLOP-SFHVURJKSA-N 441.626 4.851 30 10 IJEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)cc1 1595890922 GCFTZTXDTBDIOM-ILXRZTDVSA-N 445.610 4.635 30 10 IJEE C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2Cc2ccc(Br)cc2C#N)C1 1617790875 CGKLDLRFZVKCSW-OXQOHEQNSA-N 434.378 4.544 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc2c(n1)CCCC2 1618150334 BFSBYEXDDDLCKX-UHFFFAOYSA-N 440.473 4.527 30 10 IJEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)ccn1 1620230880 CRXTVFRGFLLASH-KRWDZBQOSA-N 432.597 4.854 30 10 IJEE CC[C@H](C#N)C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 1624569532 FEDYYVWVCHTFBL-ZEQKJWHPSA-N 428.532 4.878 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 1633471378 PQCWFSQUCIRBEI-NHCUHLMSSA-N 431.458 4.959 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1634453955 QSUYERNPSIKINP-IBGZPJMESA-N 429.467 4.705 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1638565743 ZFRYJWBOWVCGCE-DLBZAZTESA-N 442.478 4.692 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1nc(O)c2c3c(sc2n1)C[C@@H](C)CC3 1638988250 WHSQWJGLXYYCQD-WMZOPIPTSA-N 435.593 4.758 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 1639902306 DOTCHSUJNLEWGS-OAQYLSRUSA-N 438.936 4.554 30 10 IJEE C=CCn1c(SCC(=O)N(CCC)CCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643337852 GFUUVIIRTIUIEZ-OAHLLOKOSA-N 433.643 4.510 30 10 IJEE C=CC[C@]1(C(=O)N(C[C@H]2CCCc3ccccc32)OC)CCCN1C(=O)OC(C)(C)C 1645896950 UWHRYRPTXCLLPA-CJFMBICVSA-N 428.573 4.842 30 10 IJEE C=CCn1c(Sc2cc(CCC(=O)OCC)nc(C)n2)nnc1-c1ccc(Cl)cc1 1649987775 DRIGZUPNOFKDEM-UHFFFAOYSA-N 443.960 4.530 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 1652322139 MAHQKULCGAOABH-HXUWFJFHSA-N 428.532 4.941 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)CCCC(C)C)nc2sc3c(c2c1=O)CCCC3 1652458848 RKIRMRUOMOZYSO-MRXNPFEDSA-N 447.670 4.946 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1OC 1653240727 BOBIPZUBWWZWHO-SBUREZEXSA-N 436.980 4.793 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)s2)c1 1654015968 HNQHVMHXCMRTOD-UHFFFAOYSA-N 432.364 4.887 30 10 IJEE C=CCN(Cc1cc(Br)cc(F)c1F)[C@H](Cc1ccccc1)C(=O)OCC 1654155530 SOMZXTXUWXFHJT-LJQANCHMSA-N 438.312 4.890 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(F)c(Br)cc1F 1657821914 XOJHCFJNQZKBTO-UHFFFAOYSA-N 445.101 4.792 30 10 IJEE CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN1CCN(Cc2ccccc2)[C@@H](C#N)C1 1658695041 CFGYXEHFOVZXSL-QHCPKHFHSA-N 448.014 4.918 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1659398350 NDUHHLUJQYFULR-HXUWFJFHSA-N 429.586 4.901 30 10 IJEE Cc1cc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cnc1N1CCCC[C@H]1C 1660117491 BJKOCNAJPOGOFE-HOHBBMLPSA-N 448.571 4.547 30 10 IJEE CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)CCC2 1662580177 AJSDCWGMLVGRDS-LJQANCHMSA-N 433.371 4.800 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cccnc2OCc2ccccc2)cc(OC)c1OC 1667475134 LXSVSMXOIDWCDF-UHFFFAOYSA-N 433.508 4.728 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)Cc3cc(OC)c(OC)cc3SC)cc2n1 1673220892 RTBLYYVEWKYKCC-UHFFFAOYSA-N 426.542 4.625 30 10 IJEE C=CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1)C(C)C 1674296180 KTVAMJILAOZJOT-VXKWHMMOSA-N 445.604 4.784 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(OCCc4ccccc4)c3)CC2)c(F)c1 1676985498 BNTITVUQTQEFHS-UHFFFAOYSA-N 444.510 4.673 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1)c1ccccc1 1683734267 RXNBFATXUYPLJM-QFIPXVFZSA-N 438.568 4.920 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC1CC(OCC)C1 1689833256 GLWKLMNKQDFTMP-UQPPLGOBSA-N 449.368 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(Cl)nc1 1689834849 AMFJGHSLJNOMBW-HNNXBMFYSA-N 425.989 4.830 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(C)(C)OC(C)(C)C1 1689878519 LEXQQCZZGCIJFE-UHFFFAOYSA-N 432.572 4.533 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1689882428 ADDFEWQVQRFTBO-IRLDBZIGSA-N 431.584 4.938 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)C(C)C 1690009042 VLFAUCBOGJLQRT-UHFFFAOYSA-N 431.353 4.602 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCCCN1CCC 1690033525 ZSPADCXLKRAMNQ-DQEYMECFSA-N 431.628 4.547 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1690273127 HXHQRMGFRNMBOS-UWJYYQICSA-N 448.398 4.743 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCc1nc(C)cs1 1690514109 UOCRSAGQTFGDMM-UHFFFAOYSA-N 438.601 4.557 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCN(C)C1CCCCC1 1690578137 RDQUDSMBPAZKTI-FQEVSTJZSA-N 443.661 4.691 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690649788 UORPYRBMTISKLD-VQIMIIECSA-N 438.494 4.631 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](c2ccco2)C1 1690750427 JHMIYVIWBJVNBD-KRWDZBQOSA-N 428.533 4.502 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC2CC(C)(C)C2)cc1 1696133892 ANGGMAOXDDZOAP-QZTJIDSGSA-N 425.577 4.991 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(C)s1 1705590167 DGAFEFPZDMKJNP-UHFFFAOYSA-N 425.561 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](SC)C(C)(C)C 1705600693 JBENMANQGPZMNX-JOCHJYFZSA-N 433.625 4.522 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCSC2)CC1 1705779087 UTRQEROFLJJZPV-GOSISDBHSA-N 428.602 4.508 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCCC(C)(C)C2)CC1 1705784909 ODKPSCRSWZIZOD-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@@H](COC)C1 1705788778 MSNJIFDHADBQCN-LJQANCHMSA-N 442.604 4.818 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705812008 PHKXNFQHTUNLLD-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1nccn1C(F)F 1705865831 YKGFQOSXOAWOOI-UHFFFAOYSA-N 444.486 4.978 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(CC)C1 1705868605 UUHVEECDLUYNMB-IBGZPJMESA-N 427.643 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(C)(F)F)cc1 1722276612 FHPPGIQQETVPDW-ZDUSSCGKSA-N 448.315 4.654 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1722325315 HTLYOHIFPHAUJU-FXAWDEMLSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1cccs1)C(C)C 1722326638 SMKQJZYHFXLCOI-UHFFFAOYSA-N 432.391 4.926 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCCc1nc2c(s1)CCCC2 1722356266 UQHIUUQSUGCVQN-UHFFFAOYSA-N 449.624 4.511 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC(F)(F)C1 1722421950 PNRFNGGMJZAOPJ-ICSRJNTNSA-N 432.490 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC1(C)CCOCC1 1722469129 UROBGQVHDGCULP-JOCHJYFZSA-N 443.389 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(OC(C)(C)C)nc1 1722503700 CDXOUTMWXHJLHZ-UHFFFAOYSA-N 435.572 4.977 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722543533 QPACOMREOUTOPN-WQANXHIZSA-N 437.371 4.543 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1722564778 GOJLGDIAXBFRSR-UHFFFAOYSA-N 428.890 4.546 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C(C)C)CC2)CC1 1722566593 VEUPVENNWVSRFV-UHFFFAOYSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](COC(C)C)C1 1722587157 DXXCYMHIGXPILV-OAQYLSRUSA-N 449.599 4.726 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1722624783 GKUAXOHUXPSERY-DNVCBOLYSA-N 449.368 4.818 30 10 IJEE C=CCCOCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(Cl)c1 1722627933 UCGBETLWTBIZFI-QGZVFWFLSA-N 434.878 4.711 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCC1CCOCC1)C1CC1 1722643881 FFPJIFQWVIYZGR-UHFFFAOYSA-N 437.588 4.509 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1740591548 UFQVQEABGIBKBN-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(C)C1CCCC1 1740600268 KFZJCHZNGSYQHI-LJQANCHMSA-N 444.023 4.632 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1740673246 MLUWZSAZMVUDSV-GGAORHGYSA-N 447.652 4.691 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 1740854460 PEQCNJARMQTGNS-YMPZKCBVSA-N 446.599 4.735 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740862789 FDPKQGNOFPRFPO-KDURUIRLSA-N 431.625 4.526 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nc(C(F)(F)F)cs1 1740892004 OWAVEUUHKWAJOY-UHFFFAOYSA-N 433.503 4.894 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@H](C)C1 1740913190 AAHIMBORKWAVPP-CTNGQTDRSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(C)CCCS1 1740913790 HMRGXACHNZGINC-NFBKMPQASA-N 428.602 4.617 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC1(C)CCOCC1 1740914551 HADYNMHHGXBFAV-UHFFFAOYSA-N 442.567 4.530 30 10 IJEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H](c1ccccc1Cl)N(C)C 1741452407 CYEHBCXFGJQEOP-NRFANRHFSA-N 429.012 4.563 30 10 IJEE Cc1ccoc1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H](C)CC#N 1742072815 GNAMANYHTSLHRJ-SFHVURJKSA-N 431.496 4.805 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1748908501 ZMCSGEFMXSUZRA-IBGZPJMESA-N 427.474 4.742 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C1CC(C(C)(C)C)C1 1748950222 GBRWICFCWFLUSR-UHFFFAOYSA-N 432.515 4.630 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@H](C)C1CCC1 1749189755 QYDOADACQQMWRZ-UYAOXDASSA-N 431.625 4.984 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1749220842 RGOAHBYQJGQNNI-BJKOFHAPSA-N 447.583 4.537 30 10 IJEE C=C(C)COCCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1749225742 JPTLDBPQQIIPDN-LJQANCHMSA-N 437.371 4.633 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(C)C)C1 1749417486 IVCQCKCLLGWDPB-CQSZACIVSA-N 425.396 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1cc(C)nn1C 1749587313 PDBKGNDPSAMJOL-UHFFFAOYSA-N 436.947 4.517 30 10 IJEE C=CCn1c(N(C)Cc2nc([C@H](C)SCC)no2)nnc1C1(c2ccccc2)CCC1 1749642978 AJDKQPINHUSJKW-KRWDZBQOSA-N 438.601 4.768 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H](c1cccs1)N1CCCC1 1760115920 LKJMUWAMAHFTAV-IFMALSPDSA-N 433.625 4.534 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H]1CSC 1760276098 SQBRIZQUSNYNKQ-GOSISDBHSA-N 446.711 4.974 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1760310386 CYAIBJZCOIXAOS-INIZCTEOSA-N 444.377 4.652 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccn(Cc2ccccc2)n1 1760339296 CWCQTXDERMTBII-UHFFFAOYSA-N 432.597 4.626 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1760427762 IDYJUGWKCORYRA-UHFFFAOYSA-N 444.645 4.666 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](c1ccco1)N(C)C 1760455683 WHIZLSBRDOZTMU-HSZRJFAPSA-N 444.583 4.871 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCS1 1760763056 DOPZNYHTCLMHIY-RTWAWAEBSA-N 439.629 4.602 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N(C)[C@H](C)CC#N)c1cccnc1 1760880301 DMWDOLKWHCXXFC-QUCCMNQESA-N 436.535 4.569 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1761613551 DDELVWSEHBWTFJ-HKUYNNGSSA-N 435.597 4.824 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCc2c[nH]nc2C)cc1 1761870708 BLSPNRQASXXRIF-DEOSSOPVSA-N 449.628 4.673 30 10 IJEE CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1765139692 GZGUYMCIVBTXDM-MRXNPFEDSA-N 446.502 4.914 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2csc(C)c2)CC1 1772554647 DGIMBEOFQPXDSL-UHFFFAOYSA-N 446.418 4.867 30 10 IJEE COc1cc(C=NN=C2S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 1772758610 ZZRWYGJIIRBPEL-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE NC(=S)N/N=C\c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nc1-c1ccc(F)cc1 1857806930 OJGLSMVPOLNGCD-JAHAZDFLSA-N 441.841 4.518 30 10 IJEE COc1ccc(-c2c(C(=O)Nc3oc(C)c(C)c3C#N)oc3cc(OC)ccc3c2=O)cc1 1859760648 OORIPQZUFYSHRU-UHFFFAOYSA-N 444.443 4.811 30 10 IJEE COc1cc(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc(OC)c1OC 1860729427 HEEAZGURZVUJLT-OUKQBFOZSA-N 447.487 4.512 30 10 IJEE N#Cc1c(O)nc(SCC(=O)Nc2ccccc2Cl)nc1-c1ccccc1Cl 1860827551 URXLLVMSGCKXEH-UHFFFAOYSA-N 431.304 4.758 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1862145936 JOITVJDDOALUFQ-HSEDLZSMSA-N 446.591 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862444353 ZSXWSAZUBXVCCE-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 1862448581 QIIWHBBZVMUWEQ-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)ccc1O 1862480226 AOZJYNWUTVDAMG-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862510155 XVMBTUBMIGBEHO-QRQCRPRQSA-N 441.499 4.918 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1C 1862545267 VVOJJGQKJFGJNQ-XMMPIXPASA-N 433.548 4.879 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862561522 VTEZCPJUGODQNS-HSZRJFAPSA-N 427.504 4.566 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862637657 JFKDTGMDMPQWON-QHCPKHFHSA-N 446.478 4.570 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 1862724742 SHIWXGSGNPFNIK-DEOSSOPVSA-N 443.499 4.674 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1 1862967844 SOKDPVHVZOBJPF-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1865978261 ZNQHBSIQNKYZDD-FQEVSTJZSA-N 447.535 4.683 30 10 IJEE N#Cc1c(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)sc2c1CCC2 1865995898 FIUCBTIWAHDXKH-NRFANRHFSA-N 445.544 4.585 30 10 IJEE Cc1ccc(OCCCC(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)cc1 1870105762 HQAVHHYEWFVFFZ-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCc2nc3ccccc3[nH]2)C4)o1 1871348604 IRTMCQQXPSDJRL-UUYOSTAYSA-N 441.487 4.784 30 10 IJEE O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc1c2CN(CCCCN2CCCC2)CO1 1871349586 XYDRRXYCOBWSGG-HAHDFKILSA-N 438.955 4.984 30 10 IJEE Cc1cc(OC(=O)CNC(=O)c2ccccc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871366811 NNLJJXXXJNZEER-POGMTIRKSA-N 439.467 4.503 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871390302 PEEPCJZTBNWBIJ-UUYOSTAYSA-N 432.403 4.895 30 10 IJEE N#Cc1c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)sc2c1CCC2 1871461349 IGPUNOYOBQQPPT-NHDPSOOVSA-N 442.496 4.742 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)C(C)C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872127208 GCOYVFTVLWPBIT-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872305067 VZYUAVLZGXQLKK-HXUWFJFHSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)CCCC 1872443121 VMNMOVWJGICLEL-OAQYLSRUSA-N 440.675 4.878 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872572908 WBADREUHUVNZDJ-DYESRHJHSA-N 434.627 4.985 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1OC 1874219030 RBPCFRPXCREFOR-WGOQTCKBSA-N 447.564 4.583 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2[C@H](C)c2ccccc2)cc(Br)c1O 1874391567 LNFSANRJLZFUIZ-KIHMUJGBSA-N 447.358 4.511 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C2CCCC2)cc(OC)c1O 1874455053 YNORSYHZUYASPK-ZVHZXABRSA-N 438.553 4.833 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)C)cc(OC)c1OC 1874512211 MNAABMHKIOQFTC-WYMPLXKRSA-N 444.532 4.741 30 10 IJEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1[N+](=O)[O-] 1875173496 HLXFTCHRUTWKMS-SOFGYWHQSA-N 433.844 4.867 30 10 IJEE Cc1c(C(=O)N2CCN(c3cccc(C#N)c3)CC2)c(-c2ccccc2)nn1-c1ccccc1 1891354941 HMPCNTQNHJKPKR-UHFFFAOYSA-N 447.542 4.682 30 10 IJEE COc1ccc2ccccc2c1CCC(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891633913 WMEQSURFMZQYSL-UHFFFAOYSA-N 441.449 4.998 30 10 IJEE C#Cc1cc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OC 1903075429 PFESDOXJOURRCI-QGZVFWFLSA-N 440.499 4.542 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1cc(Br)ccc1Br 1927789726 HMBBVZZXGOBPLO-AWEZNQCLSA-N 434.172 4.635 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)CNC(=O)OC(C)(C)C)cc1 1948383132 XGNGFKJAGYGLEQ-SFHVURJKSA-N 433.549 4.880 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H]2CNC(=O)OC(C)(C)C)cc1 2006112970 LLQQJPJIAWHXNM-WAIKUNEKSA-N 431.533 4.634 30 10 IJEE CCc1nn([C@H](c2ccc(OC)cc2F)C(C)(C)C)c(I)c1C#N 2080023206 VENBIYMTRYDFSD-MRXNPFEDSA-N 441.288 4.705 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCCC 2159124131 GGRHZDKESNESGP-RTBURBONSA-N 441.385 4.806 30 10 IJEE C[C@H]1CCCN(c2cc(Br)cnc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174716079 PVHHTNDVYPJCKQ-WMLDXEAASA-N 437.382 4.626 30 10 IJEE C#CC[C@H](C[C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196730939 CDEYUJBKTKZNFH-MISYRCLQSA-N 436.390 4.685 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C12CC(C)(CN1C(=O)OC(C)(C)C)C2 2235750821 ZAZXRTGTFBXLJW-OSFYOIPJSA-N 433.390 4.568 30 10 IJEE C#CC[C@H](C[C@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237424476 JAVLLVYJLLVOCZ-LSTHTHJFSA-N 435.406 4.652 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)N(CCC(F)(F)F)Cc2ccccc2)OC1(C)C 2247863562 SUBVRVWZZOLFKX-UHFFFAOYSA-N 439.308 4.642 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@@H](CCC)CNC(=O)OC(C)(C)C 2252013987 YRHUYUKSEVMPIC-UNMCSNQZSA-N 435.561 4.560 30 10 IJEE C#CC[C@H](C[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C1CC1 2256708258 ZIHTYDMVPITRNG-DNQXCXABSA-N 440.628 4.858 30 10 IJEE N#C[C@H](C(=O)c1c(F)cccc1I)c1cccc(Br)c1 2282784102 LWEHVVRBLMYQPH-NSHDSACASA-N 444.041 4.683 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1C 2296308600 KJWMMMDSUYUKKL-DKZVUGQWSA-N 435.406 4.862 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 2296552746 KFBDUFQJFUDAOZ-OAQYLSRUSA-N 436.439 4.537 30 10 IJEE COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2296601268 XRPWGTCINHUAAL-UHFFFAOYSA-N 442.876 4.733 30 10 IJEE SC[C@@H](COc1cc(Br)cc(I)c1)CC1CC1 2301131299 JYDWXSJMMUVMBP-SNVBAGLBSA-N 427.145 4.779 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317350199 OVYFPYZRIUXWJE-IZGBJUCLSA-N 429.370 4.584 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CC2)cc(OC)c1O 2320886455 JAAFFLPNHNUZLX-UHFFFAOYSA-N 444.944 4.706 30 10 IJEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)c(OC)c1 2321962566 NQEIQKHVBOKSHP-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(OC)cc1 2322442889 FWILMDDSZOLELK-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c1 2322781529 DUDQFSHDXVCKOM-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(OC)c2)cc1 2323647668 HFJHTPNKZAFIII-LJQANCHMSA-N 445.515 4.856 30 10 IJEE CCCN1CCC(=O)C(=Cc2cc(OC)c(OCc3cc(C)ccc3C)c([N+](=O)[O-])c2)C1 2323854711 RSSFTLZENFNLEG-UHFFFAOYSA-N 438.524 4.867 30 10 IJEE Cc1cc(O)c(CN(CCO)Cc2ccccc2)c2c1C(=O)C(=CC=Cc1ccccc1)O2 2324010159 UDZLWHCZGLSWSP-UHFFFAOYSA-N 441.527 4.868 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2324807462 HYXKIEMZMMEQCB-HNNXBMFYSA-N 449.459 4.627 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1nc2ccccc2s1 2325417871 TWLVITBPYRQWAT-ZDUSSCGKSA-N 432.457 4.912 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2326992037 QIKFYNQQTVGVLQ-UHFFFAOYSA-N 425.514 4.501 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2329278050 CIYUBDUQQODGEP-UHFFFAOYSA-N 430.533 4.758 30 10 IJEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2330615451 PXEBFWPZMVAJNM-UHFFFAOYSA-N 446.499 4.827 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)c1 2330786136 RTQKIGVLENIADU-UHFFFAOYSA-N 447.443 4.622 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)NC2CCCCC2)cc1 2330854704 KPJSNTYYUOPUGA-UHFFFAOYSA-N 441.645 4.852 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCCC2)c1 2331045396 LJFSDXFEBFHELP-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(CCOC)nnc2SCCC)cc1OC 2331295601 HGODFQRLUYJIQM-UHFFFAOYSA-N 434.606 4.819 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)CC(C)(C)C)c([N+](=O)[O-])c2)c1 2331389169 ZVHMUBLYXGQTOA-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)cc1 2331484540 HXPSBDZULBGLKQ-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE C=C(C)CSc1nnc(C(C)C)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331698325 IFBXYMUSBKNPSX-UHFFFAOYSA-N 439.379 4.819 30 10 IJEE C=CCN(C[C@@H](NC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2337521910 WZQXEKJANKUBJW-GOSISDBHSA-N 425.367 4.674 30 10 IJEE CC1(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC(NC(=O)OC(C)(C)C)C1 2339597487 XWFHBGDEUFLNES-VAWYXSNFSA-N 443.397 4.832 30 10 IJEE Cc1cc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c(C)c1 3041454 WELZTZDSCOYKPP-VYIQYICTSA-N 428.561 4.849 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(N(C)C)cc1)N2 13644076 MTMNOVHODMEYGC-JCYRPKCISA-N 449.620 4.942 30 10 IJEE C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 14877708 JYHCVZMPAPIRKB-LJQANCHMSA-N 447.482 4.702 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)c1 39839114 PNRRCSKHAGHTQI-QHCPKHFHSA-N 433.504 4.718 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1)c1ccc(F)cc1 59021591 LVIIRKMNMJIRIN-ROTLSHHCSA-N 427.549 4.513 30 10 IJEE Cc1ccc(-c2noc(-c3ccnc(SCC(=O)Nc4cccc(C#N)c4)c3)n2)cc1 65185614 MEBLBFRXMAUAJW-UHFFFAOYSA-N 427.489 4.710 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OCC(=O)c4ccccc4)ccc3C2=O)c(OC)c1OC 97528357 LIUCROLEAGBXJC-YDZHTSKRSA-N 446.455 4.590 30 10 IJEE COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2C)cc1Cl 100293048 WSBKVZOUDBRIQM-VFOOBRQFSA-N 438.336 4.592 30 10 IJEE COc1cc(/C=N\Cc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100317610 LSBSCLPSOBJSRV-QQXSKIMKSA-N 435.476 4.559 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 102569444 IHUUHOKTRCGFBS-FEYWKWKCSA-N 429.472 4.639 30 10 IJEE COc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)c1OC 137158134 CGOWMPNLFWCSCL-NHDPSOOVSA-N 447.358 4.541 30 10 IJEE CCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 169902256 XADQVARHDZGBDR-YDZHTSKRSA-N 438.977 4.666 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1cccc(F)c1 169940090 PGONQRKYKZMMJT-NRFANRHFSA-N 448.406 4.525 30 10 IJEE CCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1[N+](=O)[O-] 169942912 GJUCJBLBDGPZSO-NHDPSOOVSA-N 428.470 4.580 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 170011583 VANAKXVZWUKNQI-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170042267 JZYWCVAFORKMTF-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)C2CCN(C)CC2)C1=O 170069822 JHBLELLOYBZNMW-UHFFFAOYSA-N 446.035 4.806 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)cc1 170102086 JYUDUOSGZQRRHY-HSZRJFAPSA-N 431.488 4.938 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)cc1 170174376 XKTDBGUYURRDCQ-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)cc1 170189172 QFVSLRQFHQSIDE-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccncc1 170211000 BMPMGTAWYBLBJY-HXUWFJFHSA-N 428.916 4.902 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCC2)c1 170218607 VUJWCZZUTWMZEQ-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(O)c(Cl)c1 170219844 DVXUVMXOULPABU-OAQYLSRUSA-N 441.911 4.749 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12 170256646 LBFSPMFDOGXOSL-JOCHJYFZSA-N 434.467 4.837 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccc(C)o2)c1 170297901 SVCJIOULPVPPJU-NRFANRHFSA-N 437.423 4.527 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 170328843 IYSYWXXKADSJEH-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CSc1nc(-c2cccc(Cl)c2)c(C#N)c(N2CCN(c3ccc(F)cc3)CC2)n1 242896692 GPDNCCAPSWWKQH-UHFFFAOYSA-N 439.947 4.856 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 475575736 SFVKIECRYIPFQI-XMMPIXPASA-N 437.584 4.742 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1cc(F)ccc1C 481367962 DGUICVVIUYXGDP-QGZVFWFLSA-N 440.544 4.918 30 10 IJEE Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)sc1Cc1ccc(F)cc1F 487601800 FGJGBUFUARYRDA-NRFANRHFSA-N 435.496 4.521 30 10 IJEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 505830393 CFEOIKKFFJPENQ-XMMPIXPASA-N 446.595 4.629 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)O[C@H](C)C2 505916604 GPJHIHJPHACAEO-IKTSWFPUSA-N 444.453 4.912 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508879632 HENYHFQLIFRUGT-UHFFFAOYSA-N 446.551 4.556 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 508956392 PJYLQVZNOZPXLB-UHFFFAOYSA-N 425.533 4.603 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccc(O)cc1 526490539 HSYLGTJTRDRZJX-QHCPKHFHSA-N 442.471 4.728 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2Cc2cccs2)cc1OC 549573714 QTVWETDWYUAEEH-UHFFFAOYSA-N 437.569 4.592 30 10 IJEE N#Cc1cccc(OC2CCN(c3nnc(C4CCCC4)n3Cc3ccccc3)CC2)c1 555185317 YRLXIAXMYBLONU-UHFFFAOYSA-N 427.552 4.903 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 558994001 APIFONYEJBBVJH-YADARESESA-N 427.552 4.893 30 10 IJEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 583111702 APRZXUHLTFARAZ-QGZVFWFLSA-N 431.521 4.811 30 10 IJEE C=C(C)CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(Cl)ccc1OC 586155355 QHSKFLXZUULHAK-UHFFFAOYSA-N 449.016 4.580 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 684783146 UDHQQHZFUYJSNH-SWLSCSKDSA-N 447.379 4.621 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCc2ccccc2)nc1 729187560 FCRAITVIMBPAGA-QFIPXVFZSA-N 427.504 4.747 30 10 IJEE C#CCCCNC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 742784339 NUFHMTNMVFXJHV-UHFFFAOYSA-N 429.364 4.542 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760965363 JGDKMTPCFFWGHU-GGAORHGYSA-N 445.563 4.519 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccsc1 790758832 YHAZHRKBYVHPCU-HXUWFJFHSA-N 433.558 4.885 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 790837964 JZGUUNSQEWWLJD-VWLOTQADSA-N 446.563 4.679 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 812184093 KNVSDKCTQPQSRM-OFNKIYASSA-N 445.567 4.663 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccoc1C 832022555 DDIUVTPNXPOKKM-QGZVFWFLSA-N 437.569 4.752 30 10 IJEE Cc1cc(O)ccc1N/C(=N/Cc1ccccc1Cl)N1CCC(N2CCCC2)CC1 1088652343 GXTIHXLQCHSOQO-UHFFFAOYSA-N 426.992 4.882 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(F)cc2I)cc1 1128035328 QAKBWVNZNCDUNO-UHFFFAOYSA-N 426.250 4.513 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)C(F)(F)F)cc1 1128867043 QTXGBTOPGHJEFP-SQNIBIBYSA-N 425.447 4.850 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1129603341 SWNMDXAYVUEXQU-MRXNPFEDSA-N 427.482 4.754 30 10 IJEE COc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc1OC(F)F 1129974106 COBZBMXXZXCQEV-GFCCVEGCSA-N 428.357 4.870 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1OC 1130785657 RFLBOZCDOUJHJB-UIQDTEBTSA-N 441.955 4.835 30 10 IJEE COc1cccc([C@H](CNC(=O)c2cc(C#N)ccc2C)c2c[nH]c3ccccc23)c1OC 1136093021 HXHOWDDPRIHYSJ-QHCPKHFHSA-N 439.515 4.927 30 10 IJEE C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)OCc1ccccc1 1144131190 IDVJDPZFIHCTAM-SFHVURJKSA-N 430.529 4.712 30 10 IJEE C=C(CC)C(=O)N[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1149261841 GJAROJHJNLPLIH-JWQCQUIFSA-N 448.588 4.838 30 10 IJEE C=CCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cc(Br)ccc1F 1190752150 HMCCKIWGCFLXKE-UHFFFAOYSA-N 446.364 4.815 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1193346842 YUPZWSKSWCGBSO-UZLBHIALSA-N 438.515 4.744 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2n1 1209582501 SAEZRCKMOFIJCA-UHFFFAOYSA-N 447.539 4.795 30 10 IJEE N#C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)C1 1214118868 CDWUTPGWUYTQFC-CYBMUJFWSA-N 434.393 4.864 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(SCCC(=O)OC)c1)c1ccc(Br)cc1 1216323255 JZMYLHJVMDWPTI-SFHVURJKSA-N 447.354 4.600 30 10 IJEE C=CCc1cc(CNC(=O)N2CC(Cc3c(F)cccc3Cl)C2)cc(OC)c1OC 1221552282 LHPVJIVTRPBSBM-UHFFFAOYSA-N 432.923 4.609 30 10 IJEE C#CCN(C(=O)NCCc1cc(Br)ccc1F)[C@H]1CCCc2ccccc21 1225166408 KKJYGJSXMOKIRT-NRFANRHFSA-N 429.333 4.853 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1286316812 MIBNUPIQXIPMPJ-UHFFFAOYSA-N 447.549 4.730 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1286339574 OOFQPRNUYGNZAO-IYBDPMFKSA-N 433.419 4.760 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCO[C@@H]1CCCC[C@H]1C 1286433635 IGMFBUZSAXYSFF-RCZVLFRGSA-N 448.611 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1Cc1ccc(CC)s1 1286441237 KBIVCUWSLVJXAB-UHFFFAOYSA-N 429.387 4.839 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1286444353 WBNLOJJQJGUNRI-RXFWQSSRSA-N 446.599 4.570 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C(C)C)cs1 1286450417 FPPNGMFGGTVOTQ-UHFFFAOYSA-N 429.977 4.598 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@]1(C)C#C 1286497835 YEZXIXWTPAIODO-XMMPIXPASA-N 447.633 4.736 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286588440 GBUHMJKRUHLREI-SFHVURJKSA-N 449.393 4.544 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286593529 OAFMPIRVJDZWSZ-KRWDZBQOSA-N 432.952 4.877 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1286667985 NYDZNOLRYIPDQM-ROUUACIJSA-N 444.551 4.549 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCc1sccc1C 1286742328 OXAWVDLHJDBNFR-QFIPXVFZSA-N 447.608 4.849 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)C1 1287230356 DNNOTPLJMKPEDK-FQEVSTJZSA-N 435.597 4.905 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1300349802 ZPTQICMQEGNEGM-HXUWFJFHSA-N 445.405 4.762 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cn(CCCC)nc1C 1300440944 BVZKTYCTYZTQKA-UHFFFAOYSA-N 436.629 4.698 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)Cc1cccs1 1300446692 QCCWKXGWEVTIJC-AWEZNQCLSA-N 447.377 4.856 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1300907481 KMSGBNWMKWBGSV-UHFFFAOYSA-N 435.519 4.508 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1300916222 VAEXFCWITLGUKO-ROUUACIJSA-N 426.458 4.806 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNC(=O)[C@H](C)CCC)CC1 1301111904 IYYVQOQDAZSDTA-GOSISDBHSA-N 435.572 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 1301145786 HAGROSYRGKESDO-UHFFFAOYSA-N 434.632 4.960 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1301185252 ADHCZZFPOUJXRL-HSZRJFAPSA-N 431.584 4.843 30 10 IJEE C=CCCCn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1301235291 YYRKSZNEAWLRLH-PKOBYXMFSA-N 434.506 4.870 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCN(CCC)C1 1301270929 NEUOXRDFEJGKJU-IBGZPJMESA-N 436.629 4.731 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1cnn(CC(C)C)c1C 1301278798 RIACMQCSIJRLCP-UHFFFAOYSA-N 443.393 4.539 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1301280194 FTANHBTVIYZGMB-HKUYNNGSSA-N 431.378 4.619 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)C 1301350145 SBJXNMZGMZBQGQ-UHFFFAOYSA-N 430.325 4.944 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCCC1(C)C 1301374866 FVRYDOZKMSMUJL-QHCPKHFHSA-N 432.515 4.666 30 10 IJEE CCc1ccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)s1 1305961368 FRBUYKPLURWLBB-CVEARBPZSA-N 427.549 4.968 30 10 IJEE C#CCOc1ccccc1OS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)cc1 1309169942 JDLJVQKSQKZMPJ-UHFFFAOYSA-N 426.515 4.981 30 10 IJEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 1309195353 YCOPHYWROAHKTK-UHFFFAOYSA-N 427.909 4.623 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 1310181291 DKQXGRICEJQACM-GOSISDBHSA-N 444.466 4.725 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCc3nc4c(s3)CCCC4)cc2F)c1 1310247644 CJYCZSIBAXSLNK-UHFFFAOYSA-N 436.512 4.933 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1312131588 OPXBVEJTIFUELO-JOCHJYFZSA-N 428.598 4.643 30 10 IJEE C=CCN(C(=O)c1cn(C)nc1COC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1348921582 FPUZCXKYNWKACL-UHFFFAOYSA-N 437.352 4.830 30 10 IJEE CC(C)(CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc2c(c1)OCO2 1351671809 IBKOVPDEWAPHQW-UHFFFAOYSA-N 432.451 4.926 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccccc3F)cs2)CCCN1C(=O)OC(C)(C)C 1355791880 WHWCLYMSGNETJS-JOCHJYFZSA-N 429.517 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCO[C@@H]1CCCC[C@H]1C 1359108728 ALNUBJKVNLCXAS-WIYYLYMNSA-N 427.549 4.851 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359119164 YGYNDSQDUGMKJN-GOSISDBHSA-N 437.544 4.713 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(OC)CCC(C)CC2)CC1 1359161271 XCEXGEJOHOCPJK-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1359186340 CIJDDLBGAGOMPF-SFHVURJKSA-N 437.592 4.776 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1359211800 PAUWTJJSPGJIQZ-RUZDIDTESA-N 440.588 4.714 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@H]1C)C1CC1 1359250306 HDOMFGNUPBUJQM-VAMGGRTRSA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC[C@H]1CCO[C@H](C)C1 1359254457 SEPYEAFFFXAAQJ-RTWAWAEBSA-N 447.583 4.747 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(N(C)C)CCSC1 1359268048 BIYMHPHWKQPKQS-VWLOTQADSA-N 439.673 4.858 30 10 IJEE C#CCOc1cccc(OC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)c1 1359925616 JDKYHAJZWRXJAG-UHFFFAOYSA-N 435.520 4.871 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)C1 1360138235 BYWFOWSTNAJQNV-GOSISDBHSA-N 444.986 4.598 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)NCC3(N4CCSCC4)CCCCC3)c2)c1 1360147571 ATRXXIRLKNFVJH-UHFFFAOYSA-N 449.620 4.619 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cc1 1360469370 BLXPDHUWOCCVTG-LBPRGKRZSA-N 434.338 4.695 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(F)c1 1441050811 RTFRRXAKNHNWKT-DHIUTWEWSA-N 438.543 4.900 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 1443522885 WXTRKXUIYHUHRM-UHFFFAOYSA-N 442.947 4.631 30 10 IJEE C=CCC1(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)CCCC1 1444560075 BYOJLOLQQYAIGB-UHFFFAOYSA-N 425.533 4.571 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(CN2CCCCC2)c1 1458871627 CLSYZKAFSUXUDL-UHFFFAOYSA-N 439.673 4.771 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCCN(c2ccccc2C#N)CC1 1459434912 DANHZFNJVBAGAK-NRFANRHFSA-N 440.547 4.890 30 10 IJEE C#CC[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 1459848768 JHSGAOFIEHECFL-QFIPXVFZSA-N 431.923 4.885 30 10 IJEE C#CCn1ccc(CN(CC)CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1 1460049779 VHYKASAUJVCWDN-UHFFFAOYSA-N 438.984 4.782 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C(=O)c2ccccc2Cl)CC1 1460916669 ILRBROYFQUFIIP-QGZVFWFLSA-N 431.001 4.900 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)c1 1465535734 UZBJWHHQAOVOMS-OAQYLSRUSA-N 429.561 4.896 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(OC)cc2I)CCCC1(C)C 1466442521 ZPYYHQAKQHMYLK-MRXNPFEDSA-N 428.314 4.898 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)COc1cccc(F)c1 1468192889 VWIBAEBYBIDVFG-CQSZACIVSA-N 439.300 4.892 30 10 IJEE C=CCOc1ccc(CNC(=O)N(CC)CCOc2ccc(Br)cc2)cc1 1470123449 NZIQYTZYFPZYJQ-UHFFFAOYSA-N 433.346 4.624 30 10 IJEE COc1ccccc1O[C@H](C)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1476581321 FDBSXDLCZNQMID-QGZVFWFLSA-N 447.539 4.639 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCc2ccccc21 1507847625 BBPULLOBRKTWEK-XPWALMASSA-N 438.616 4.913 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1nc2cccc(Cl)c2n1C 1507928656 IRGYOCOZNBGEJI-KRWDZBQOSA-N 442.995 4.553 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCSC1 1507929479 RAQXPQONXAOGAK-QHCPKHFHSA-N 426.586 4.742 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nccc(C(F)F)n1 1507974043 QXCFCTAXIBPNMA-UHFFFAOYSA-N 425.270 4.650 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1CCCSC1 1508000684 YQWGXZYYKOVGFZ-OAQYLSRUSA-N 430.581 4.548 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCC[C@H](C)C1 1508003022 QQNXAFSAGIFXKC-GOTSBHOMSA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(Cl)nc1 1508006309 AWOFFECUNZHXKE-GOSISDBHSA-N 429.977 4.871 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCSCC(C)C)C1 1508120157 ZEMMCDIQPBFGOH-LJQANCHMSA-N 426.586 4.862 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1515902158 NIBMQGPQGNKTPA-OALUTQOASA-N 439.364 4.542 30 10 IJEE COc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)[C@H](C)[C@H](C)CC4)n2)cc1 1527163652 HWTWYFVNPNAHQZ-ZIAGYGMSSA-N 436.537 4.935 30 10 IJEE N#Cc1ccc(CNC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)cc1F 1528987927 GHPGEWRIBFMKQH-OAQYLSRUSA-N 439.284 4.896 30 10 IJEE C#CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 1529626176 ADPHAMIHFDJOHB-KKSFZXQISA-N 442.353 4.937 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(OCc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1530703269 BSRVWWIOEYMORV-SANMLTNESA-N 435.520 4.964 30 10 IJEE N#Cc1ccc(CNC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)cc1F 1536227547 CHKGDZRINGGBAK-UHFFFAOYSA-N 437.515 4.581 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)CCCN1C(=O)OC(C)(C)C 1537421320 IQJKWBBZBPMLGK-XOBRGWDASA-N 427.467 4.623 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(C)noc1C 1538973976 QLLWLOKJIIOAQL-LBPRGKRZSA-N 425.945 4.924 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](Cc1ccccc1)OC 1539153903 CHWGDPAYQYNNJA-OAQYLSRUSA-N 434.609 4.603 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N(CCCC)CCOC 1539579702 BNAXMDUGCZSZQP-UHFFFAOYSA-N 427.774 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1ccc(Cl)cc1 1539676140 JZFDIRDJFWGOIE-UHFFFAOYSA-N 444.004 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1539835343 CPOJHUDNQXBAEK-JOCHJYFZSA-N 435.572 4.786 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1539888117 LNNMEIAOGOMRSU-IFMALSPDSA-N 443.661 4.719 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C 1539917010 QDSVVONLSOUEDS-MOPGFXCFSA-N 431.625 4.984 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1539939961 MMZAAZSNHDCRAX-VQTJNVASSA-N 437.613 4.797 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1540855898 FCGBUEKPULYDMI-YADHBBJMSA-N 440.588 4.711 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)OCCc2sccc21 1541109095 AVENYGOPRVVETK-IVZQSRNASA-N 441.988 4.744 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1541379686 AFUOLAFBNZLRTD-GOSISDBHSA-N 435.601 4.639 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1 1541513005 DLNOBMBALQZMOK-LJQANCHMSA-N 441.601 4.726 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC=CCC1 1541513378 QSNNYYGZWNUMMS-IBGZPJMESA-N 445.571 4.716 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H]2CCCOc3ccccc32)nnc1-c1ccco1 1544757292 KUAJAPGXDSBMQP-GOSISDBHSA-N 425.510 4.663 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCc3ccc(C)cc3)Cc3ccco3)n[nH]2)c1C 1545086727 VVXYUBBBTXOZFM-UHFFFAOYSA-N 443.551 4.863 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1555844903 DCDDFRMLMJVRMA-OXQOHEQNSA-N 439.610 4.883 30 10 IJEE C#C[C@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C1 1559947588 XEFDUGJOSBAQJD-IBGZPJMESA-N 433.552 4.828 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 1562174875 GPGKKNWQZAFVKF-UHFFFAOYSA-N 440.499 4.760 30 10 IJEE CCCNC(=O)Cc1csc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 1563195765 CFWHMKKZLUTTKZ-INIZCTEOSA-N 447.564 4.633 30 10 IJEE C#CCOc1ccccc1NC(=O)CCCCc1ccc(I)cc1 1567741839 RQTTUJBOIBLMGF-UHFFFAOYSA-N 433.289 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1567931959 CASMLGXWODQUFA-ULQDDVLXSA-N 437.380 4.605 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(Br)cs1 1587574337 GLNKCVAHLMBLAQ-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCC(F)(F)C1 1588593559 BKOJSYPQKQRPSX-SJORKVTESA-N 448.583 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC1CCCC1 1589559526 SNDCHFRTUVJLON-DHLKQENFSA-N 438.616 4.680 30 10 IJEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1593752826 QUMZQKQVOHIGPM-UHFFFAOYSA-N 445.489 4.512 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)[C@H]1C 1593825617 BRUCRUFLUDLVPK-NEPJUHHUSA-N 445.789 4.929 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C)CCOCC1 1594559396 KIJYQXNLKIDUEW-UHFFFAOYSA-N 426.561 4.673 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC1(C)C)C1CC1 1595038355 VBDFQTOBWIWTCB-HNNXBMFYSA-N 431.378 4.917 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@]2(CCOC2)C1)C(C)C 1595166230 RMQWDYBAFUNCDT-IGKIAQTJSA-N 449.643 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1C[C@H](C)C[C@@H](C)C1 1595200968 XEVSDGUIICUFGG-FGZHOGPDSA-N 446.643 4.983 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1CCN1CCCC(C)(C)C1 1595260696 KZVKPMRXDLYOOC-UHFFFAOYSA-N 425.621 4.886 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 1595476032 GVEHKQJZVVLQPD-IYARVYRRSA-N 436.512 4.768 30 10 IJEE C=C(C)C(C)(C)C(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1596467512 OROXADGCLNVGQC-OAHLLOKOSA-N 436.478 4.563 30 10 IJEE CC[C@@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@@H](C)C3 1613394137 ALYBIFDMHXRDNM-KGLIPLIRSA-N 425.579 4.975 30 10 IJEE COCCC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1619790082 BKSAZSSDPSUYMN-HSZRJFAPSA-N 442.007 4.859 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1Cl 1621872913 DPFBESSMEOUJMR-CQSZACIVSA-N 445.755 4.751 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)Nc3ccc(Br)c(C(F)(F)F)c3)C2)cc1 1622777570 DUBSOQPFXMAJEB-UHFFFAOYSA-N 440.219 4.635 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OCc1ccccc1 1625960084 PKWVULPTSNAMFZ-HXUWFJFHSA-N 444.959 4.918 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 1627338773 YATMEUUMEDAQCS-BPUTZDHNSA-N 432.870 4.713 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(Cc2ccc(C)cc2)s1 1627676562 JDOCMFFBACGQLT-QGZVFWFLSA-N 430.574 4.625 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)n(C[C@H]3CCCOC3)c2C)cc1 1631143253 YWSIFAHHZIZUDF-OAQYLSRUSA-N 435.568 4.598 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 1631950095 FMYVSFVXPWMMSD-FQEVSTJZSA-N 449.913 4.938 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1)c1ccc(F)c(F)c1 1633019668 NKSTVSGMVYVFQS-XXBNENTESA-N 430.495 4.948 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)C(C)(C)C 1636944097 NWMOQXOFXUHWBA-JOCHJYFZSA-N 426.582 4.608 30 10 IJEE C=CCCC[C@H](C(=O)N[C@H](Cc1ccccc1Br)C(=O)OC)c1ccccc1 1639983054 TYOVZLWVQRDMNV-PZJWPPBQSA-N 444.369 4.790 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)[C@H](C)CC)nc2sc(-c3ccccc3)cc2c1=O 1640814027 RIURTKLCYOQUMY-KDOFPFPSSA-N 428.579 4.991 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C=CCC1 1643605149 FLNOYFMOBQCHCQ-KBMIEXCESA-N 430.548 4.942 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@@H]1CCc2ccccc21 1657069113 QRNHYJXSFHPJOP-AREMUKBSSA-N 436.559 4.586 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[C@@H](C(=O)OC)c2ccccc21 1662577652 WIWVULMNYNFHDJ-SJORKVTESA-N 445.313 4.537 30 10 IJEE COc1cc(Cl)ccc1S(=O)(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1662725268 DNETWZGNXWPLEN-OAHLLOKOSA-N 426.925 4.927 30 10 IJEE C[C@H](NC(=O)Nc1ccnc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 1663858223 DZOQJSSFIWBTNA-NSHDSACASA-N 428.315 4.722 30 10 IJEE C#C[C@H](NC(=O)Nc1c(SC)cnn1-c1ccccc1)c1ccc(Br)cc1 1669374350 IZSFCFURIQGKBK-KRWDZBQOSA-N 441.354 4.853 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OCC)c2)C1 1669649391 CZFXRHVBLUJCLY-SFHVURJKSA-N 426.538 4.823 30 10 IJEE CC(C)CCOc1ccccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1671273806 GFHROVLTYLYOMU-UHFFFAOYSA-N 434.540 4.866 30 10 IJEE CCN1CCC[C@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1=O 1674986802 AUEHIXRHALWLEX-SFHVURJKSA-N 446.429 4.502 30 10 IJEE CC(C)CC[C@@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(Cl)cc1 1682772553 BOENMSZSLRVKJH-OAQYLSRUSA-N 425.964 4.616 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ncccc1C)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1685689581 DACKRTOKSMAWLV-NRFANRHFSA-N 442.604 4.522 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(COC)CC1 1689877267 UYEVFHRHVPHOFW-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690062607 WGLZTDIYGLADJH-NZQKXSOJSA-N 446.599 4.636 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1690159623 HKXWTCNXSFMUOR-DBVUQKKJSA-N 446.567 4.928 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCc1ccc(Cl)c(OC)c1 1690202753 DBHNGQZTFREXHK-XMMPIXPASA-N 435.959 4.545 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1c(F)cccc1Cl 1690243156 HSSZGYNYHNPKJH-DYESRHJHSA-N 441.938 4.750 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690280115 XZQPPNZEYIDRHY-INIZCTEOSA-N 449.368 4.554 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)CCc1ccc(Br)cc1 1690291611 ICPKIZITFDNWKA-UHFFFAOYSA-N 431.403 4.948 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(O)CCC(C)C)CC1 1690365713 DVVHJJOGBLAZTL-HSZRJFAPSA-N 434.531 4.890 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(OC)CCCC2)CC1 1690369421 JPRCWBOHTJDPSC-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2Cc2nc(C(C)C)cs2)CC1 1690382622 WRWGWNJYRUWLJZ-UHFFFAOYSA-N 427.549 4.781 30 10 IJEE C=CCCCCn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)ccc1Br 1690469024 AZTCXXFWNMPGHM-UHFFFAOYSA-N 431.338 4.550 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1COc2ccccc21 1690519280 DKRJSKRKIBFNGJ-ZDUSSCGKSA-N 431.359 4.568 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccccc1C 1690526116 XULPASMXPJNGJE-NRFANRHFSA-N 439.604 4.566 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cn2ccsc2n1 1690533884 ZVQJRLVEPFQJLE-UHFFFAOYSA-N 436.585 4.534 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1C[C@@H]1CCN(CCC)C1 1690570007 RZRYVNCQIRWFKO-HXUWFJFHSA-N 425.596 4.999 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CC(C)(C)OC(C)(C)C1 1690750916 RJLFIDVMTAKYAB-UHFFFAOYSA-N 444.645 4.733 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1692346346 BRADJRKPQBOTLI-DFBJGRDBSA-N 434.588 4.744 30 10 IJEE CCOc1cc(C)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1696105841 HQWAXDXEKXINHJ-CZTZKLFOSA-N 439.604 4.691 30 10 IJEE CCSc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)c1 1696534151 AXVYJAXJFCHPEI-NZQKXSOJSA-N 425.602 4.810 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCC(C)CC1 1705604064 DQNCSOUHAABOQK-SZTYLXMGSA-N 428.552 4.612 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@H](C)C1 1705604217 HYCDGFBCZJVBJG-HSALFYBXSA-N 445.007 4.963 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCC1CC(OCC)C1 1705625762 VWCQIBBFTRKGIS-UHFFFAOYSA-N 447.558 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCC(C)CC1 1705670787 JJALEXLPPWKLAE-HSZRJFAPSA-N 446.426 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CCC(C)C)CC1 1705713925 YMUHJFJAJJDASO-UHFFFAOYSA-N 434.632 4.977 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC(C)C)C1 1705724990 DGQPCGSLBHCEMS-PMACEKPBSA-N 431.625 4.841 30 10 IJEE C=C(C)Cn1c(N(C)Cc2ccc(C(F)(F)F)cc2)nnc1[C@]1(OC(C)C)CCOC1 1705729602 IXFVIHIXDQFDDQ-NRFANRHFSA-N 438.494 4.550 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(Cc2cccs2)CC1 1705745101 AECGJEYZHOBSQZ-OAQYLSRUSA-N 442.032 4.956 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(OC)CCCC2)CC1 1705776997 VMHHUTHQCCMLOV-GOSISDBHSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cscn1 1705786434 OAGXJEVMFBYLJW-UHFFFAOYSA-N 449.422 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2)CC1 1705793958 PMWPFNHHTIRDKJ-UHFFFAOYSA-N 436.629 4.563 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705820780 ZAFRREMCZVESFQ-JOCHJYFZSA-N 436.648 4.711 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1705858275 JYHAKWMYVBVOPH-IBGZPJMESA-N 441.595 4.662 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC=CCO1 1705871072 WXPOEWLEMPPPTG-MRXNPFEDSA-N 449.780 4.885 30 10 IJEE C=CCn1c(N(Cc2cccc(C)c2)Cc2ccco2)nnc1[C@]1(OC(C)C)CCOC1 1705893674 NWJVAOITFSYMSA-VWLOTQADSA-N 436.556 4.613 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(Cc1ccco1)C(C)C 1705912718 RNFAJHUZPCTZED-UHFFFAOYSA-N 429.524 4.961 30 10 IJEE Cc1noc(C)c1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1707936490 BQRAHRWECZWZNX-UHFFFAOYSA-N 428.899 4.521 30 10 IJEE CCCCN(C)CCn1c(CC2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1709608713 ATDWUTYVYVHLNY-UHFFFAOYSA-N 446.643 4.908 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1722337484 BKHXKPVMTJEXHO-IAGOWNOFSA-N 431.378 4.515 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(CC)CCC2)CC1 1722440627 CHKDOXHXWOBIQC-UHFFFAOYSA-N 444.048 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1OCCCOC 1722469360 ACVDXPKQWGSLAT-AREMUKBSSA-N 448.567 4.611 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC(F)(F)F 1722528042 FJVWYUIMCNRAHH-UHFFFAOYSA-N 432.874 4.588 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(CCOC)CC2)CC1 1722575977 FFLLIDJXAVQINT-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1722586468 GOQFHDUNYOCDJA-HSZRJFAPSA-N 430.600 4.653 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](COCC)C1 1722588124 KUBSRAXGRXESGX-DENIHFKCSA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1722603341 SDCICKLBGRUEBF-QFIPXVFZSA-N 439.604 4.559 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](N2CCCC2)C1 1722610712 BYTKXPZXSQBCNO-SFHVURJKSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1CCc1ccncc1 1722660654 BOJLXDHPTSZWLG-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1cccc(F)c1 1722692659 SXSLYHMAAWUSGW-NHCUHLMSSA-N 428.552 4.593 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1723358700 FOBRDXBGLUMLIW-SIKLNZKXSA-N 449.521 4.783 30 10 IJEE C[C@@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1cccs1)c1nccs1 1723802238 HZEBHFJQAAQOGV-INIZCTEOSA-N 434.594 4.817 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCOC(C)(C)C 1727710320 AYYADQPCCXLXCX-NHCUHLMSSA-N 439.604 4.806 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCCS1 1740634149 HFDJGQOAOQLWFO-QHCPKHFHSA-N 436.625 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](OC)C(C)C 1740726963 VCVJYBSTZQLMHA-ROMRWMGNSA-N 426.630 4.795 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1740872138 ZETAFSIRHBIICA-IFXJQAMLSA-N 449.368 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CCC[C@H]1C)C1CC1 1740907062 OIIJSGPRAZWPNG-ZHRRBRCNSA-N 445.405 4.722 30 10 IJEE C=CCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cc(F)ccc1Br 1740949684 OYBVIEPQUBRINK-UHFFFAOYSA-N 431.313 4.773 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCCCC2)C1 1740970180 GKGRXOWANFHPMD-QFIPXVFZSA-N 437.588 4.509 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)(C)C)CC1 1740998939 XJTNJWPCLMKRPD-UHFFFAOYSA-N 438.016 4.577 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccccc1 1748735413 SNVXJAIBMHWKPO-IBGZPJMESA-N 438.373 4.801 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1749096173 HJXDALFLULCGIU-OKILXGFUSA-N 432.391 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)Cc2ccccc2OC)nnc1C(C)(C)C 1749140785 SKRJBGGYDUCVCC-DWLFOUALSA-N 426.605 4.633 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCC(C)C)CC1 1749343214 DIFXWYGILLSXQH-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749401326 XSUPTSSXAXPWEJ-LJQANCHMSA-N 435.538 4.606 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)c1nccs1 1749402714 QYCNNQALMSHETI-YLJYHZDGSA-N 439.585 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1CCOc1cccc(C(F)(F)F)n1 1749564941 GHDQMWMAPSLZDB-UHFFFAOYSA-N 429.446 4.616 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C1CC1 1749590445 YANYOEZZDGFZSL-IBGZPJMESA-N 427.549 4.513 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1749751022 IMNWDNWTYOPPSG-KRWDZBQOSA-N 440.642 4.662 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1760122865 UAEJUQJZKDZYJR-VXKWHMMOSA-N 436.600 4.814 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC(C)C)C(C)C 1760318997 KKSGPSFRJLVLGE-DENIHFKCSA-N 426.561 4.526 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760346452 AZQZSIVXJHRZTL-UXHICEINSA-N 443.586 4.814 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1760385732 WLOFEMIVURMIAA-RUZDIDTESA-N 439.673 4.836 30 10 IJEE C=CCCCn1c(N2CCCC[C@H](SC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760444719 OWGILTYGQQLPCS-OTWHNJEPSA-N 449.665 4.737 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2nc(C(C)(C)C)cs2)C1 1760537911 TVIGUQSQQMHMON-KRWDZBQOSA-N 441.601 4.625 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC)c(Cl)c2)C1 1760549496 FUVLYVKPKALYQE-LJQANCHMSA-N 430.980 4.502 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(n1)CCCC2 1761531985 HHDUOUOUWQIWOL-ROUUACIJSA-N 448.546 4.618 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1769840987 BMIWYZIMQBMWKD-SFHVURJKSA-N 447.530 4.536 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCN2C2CCCCCC2)cc1OC 1772569598 NBCUINIKUSQUAO-LJQANCHMSA-N 437.422 4.909 30 10 IJEE Cc1cc(Br)cc2c1N(CCOc1ccc(C(C)(C)C)cc1)C(=O)C2=NO 1772729114 YCPRKQMEFBYWJU-UHFFFAOYSA-N 431.330 4.659 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12 1858241813 GGFRLIWIIVRXAL-UHFFFAOYSA-N 437.503 4.509 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478400 GNEDYYNVUBYMBL-FQEVSTJZSA-N 433.485 4.533 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480802 PFYSQHQSCXVOAJ-FQEVSTJZSA-N 434.473 4.743 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1C(=O)O 1862503942 IXTPVFQVUKISCC-NRFANRHFSA-N 439.483 4.991 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2)cc1 1862534461 UHFHWODSLOWHNU-XMMPIXPASA-N 427.500 4.906 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862555547 FTDZKDXESONUQE-XMMPIXPASA-N 426.516 4.652 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862560475 IKPKBBKIMKAMBW-QHCPKHFHSA-N 427.504 4.566 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2Cl)c1 1862700082 ALVZDBTVNVSYQF-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862703078 QPVMLYQSKWBARL-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1863144442 KULYNTLWZGFCPU-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863429771 MNFZOEHPBZZUGV-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2ccc(OC)cc2[C@H]1c1ccccc1 1868119352 QYTMUZBUTSATPB-HHHXNRCGSA-N 429.516 4.813 30 10 IJEE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(C#N)cc3)nc(C)n2)cc1C 1868496564 CHHGKGYCJDADRY-NRFANRHFSA-N 427.508 4.569 30 10 IJEE N#Cc1nnn(-c2ccc(OC(F)(F)F)cc2)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870140429 QWYAYCIXGHCAOH-UHFFFAOYSA-N 445.445 4.583 30 10 IJEE C=CCOc1cn(CCC2=CCCCC2)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870387634 MTFUXIOCMCCIDL-UHFFFAOYSA-N 433.596 4.626 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2C)c(CN2CCC(CO)CC2)cc1=O 1870413281 YBXBCKVYWGJBBY-UHFFFAOYSA-N 440.628 4.759 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2C)c(=O)cc1CN(CC)CCCC 1870639058 GHEFMCDSHZNHTC-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870833559 NZVZHDAGXPZJFC-QFIPXVFZSA-N 443.544 4.897 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870861657 NWHDPCXVRKKGGL-UHFFFAOYSA-N 440.927 4.896 30 10 IJEE COC(=O)c1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1 1871345752 KXOQGJJHLXKJBZ-JJFYIABZSA-N 445.471 4.651 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1 1871362996 ADEITDYPUHPCKI-SXGWCWSVSA-N 426.683 4.644 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871370673 YVUSREYWYGNKIE-UCQKPKSFSA-N 430.456 4.913 30 10 IJEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871373021 XJKNDXONPBIMFS-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1)S(C)(=O)=O 1871847347 BCRIYTRJGIXWSE-QHCPKHFHSA-N 436.533 4.606 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871910316 IVMBMXMZZHRMBW-OPAMFIHVSA-N 432.561 4.673 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCSC[C@H]2c2ccc(OC)cc2)CC1=O 1872976801 SASXVZVGNMRTSW-IRLDBZIGSA-N 432.630 4.521 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)NCc3cccc(Cl)c3)c(=O)oc2c1C 1873905721 CQKAARICGWUOJY-UHFFFAOYSA-N 425.912 4.877 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(C)cc1 1874443348 ZMZXGDVXXQTSFH-XAOCGEIJSA-N 449.580 4.613 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C2CCCC2)c1 1874455655 CZGRXXLSNZQBPA-BUVRLJJBSA-N 425.602 4.667 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C2CCC2)c1OCc1cccc(Cl)c1 1874558430 CUYNGOQTYCYOFR-FSJBWODESA-N 428.945 4.958 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1OC 1874619271 SABSOHKEORZKED-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 1875140393 DLJLBTRNWKRMGS-GLCJEOIMSA-N 439.464 4.591 30 10 IJEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 1891400526 WIECEXSVJVLNGD-UHFFFAOYSA-N 434.517 4.583 30 10 IJEE N#Cc1ccccc1S(=O)(=O)NCCSc1cn(Cc2ccccc2)c2ccccc12 1891881672 FPWUVEBGWNXVPP-UHFFFAOYSA-N 447.585 4.632 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC(C)(C)[C@@H]1C#N 1901486719 YJONYOFVUUZJEU-ZEQRLZLVSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCOC2)C1 1934841056 BFRJHWAEDRVRAZ-SVBPBHIXSA-N 447.579 4.751 30 10 IJEE C=C(COC(C)C)[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947485767 URKCPHSSJZTFGJ-PKTZIBPZSA-N 434.621 4.836 30 10 IJEE CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)O)C(F)F 1952561578 DLBLNQUXDGSIGD-XLIONFOSSA-N 449.519 4.958 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1976223123 PGKAFRZSHLOOSQ-DZGCQCFKSA-N 447.167 4.552 30 10 IJEE C#CC[C@H](C[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C1CC1 2076090276 AZLWANSYDCEZNA-ONBPZOJHSA-N 439.644 4.574 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNc1cc(Cl)c(Br)cc1[N+](=O)[O-] 2076358433 DHCHPZANFKRMKZ-UHFFFAOYSA-N 434.718 4.894 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]2(C)COCCN2C(=O)OC(C)(C)C)c1 2081188773 WKJJZRGMBRYKHG-DVECYGJZSA-N 445.560 4.655 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCNc2cc(Br)c(C#N)cc2F)C1 2106041674 IRDYPHOMINYJMU-OCCSQVGLSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1ncc(Br)cc1Cl)C2 2127195060 JPXTZJPJOJMSHP-KBPBESRZSA-N 443.769 4.787 30 10 IJEE N#Cc1c(Cl)cccc1N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2162288690 VKTIBFZLZUDIFJ-GOSISDBHSA-N 425.916 4.584 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2cccc(Br)c2C#N)(C(F)(F)F)C1 2167679263 SRGVFQHVVUVWFG-QGZVFWFLSA-N 448.283 4.922 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1cc(Br)c(C#N)cc1F 2174770706 ABYBOVYOTXRJBX-UGSOOPFHSA-N 440.357 4.932 30 10 IJEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)c(Br)c1 2181045037 KYQXBNURBSVCNK-CQSZACIVSA-N 438.366 4.836 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1(C)C 2186199531 CQQDVGVCYJMQDK-CJNGLKHVSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CC=CCC1 2196078599 CHYOTFVNTNKQQR-SUMWQHHRSA-N 434.334 4.509 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](N)C#Cc1ccccc1Br 2209250556 TUDHSNQINWHKBP-LJQANCHMSA-N 429.358 4.565 30 10 IJEE CN(Cc1cccc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2232307588 URNBWPNABLLJSZ-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)C1CC1 2235749702 MSXMPELZIKJZIU-MOPGFXCFSA-N 435.406 4.720 30 10 IJEE C=C(C[C@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)OC 2237423971 FTUPCCDLHUEFMA-OALUTQOASA-N 441.410 4.803 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2245893537 NRWOJANKPDUHEV-LIRRHRJNSA-N 435.487 4.856 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#Cc1ccccc1Cl 2245956506 RDSZRUYFMSYADV-BULFRSBZSA-N 429.944 4.551 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CC3)c(Cl)c2)OC1(C)C 2247985197 DBXQKXIURPLQQJ-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE CCC(CC)(CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)N(C)Cc1ccccc1 2255862137 QJZCKFVNWMXHNA-UHFFFAOYSA-N 428.426 4.666 30 10 IJEE CCN(Cc1ccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267581181 OCGHFZBWJIVRMN-MOPGFXCFSA-N 444.381 4.864 30 10 IJEE Cc1c(C#N)[nH]ccc1=Nc1cc(Br)c(Br)c(Br)c1 2272752353 LTEXEDQGNUCADK-UHFFFAOYSA-N 445.940 4.715 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(N)C#Cc1ccccc1Br 2285883587 AKJSKMJURHWWNO-RPIYSHSISA-N 433.390 4.602 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2296215844 DZHYVNHXMCIMHV-YZGWKJHDSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCCN1C(=O)OC(C)(C)C 2296219113 KZSZBCWYGFJHFD-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@H](O)C#Cc1cccc(Br)c1 2296231635 GLOQKJWBCGLHAU-RTBURBONSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C1(N(C)C(=O)OC(C)(C)C)CCCCC1 2296289328 QKQMWOOFPFXUMQ-LJQANCHMSA-N 435.406 4.958 30 10 IJEE Cc1nnc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@H]2c2cccc3ccccc23)s1 2296551097 VXZKNDCZJQQXBV-HXUWFJFHSA-N 445.475 4.765 30 10 IJEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(OC)cc1)C2=O)c1ccccc1 2296867574 YFUMDNDXHJZYNE-RUZDIDTESA-N 430.456 4.995 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 2297746785 BXAIPTZQVSXACH-JOCHJYFZSA-N 433.891 4.971 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(F)F)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302312977 MPENTKGCWVFWIP-NJDAHSKKSA-N 436.543 4.513 30 10 IJEE Cc1ccc(COc2cccc(C=C3SC(=Nc4ccccc4C(N)=O)NC3=O)c2)cc1 2314557158 PQGMXZILVTWSCG-UHFFFAOYSA-N 443.528 4.565 30 10 IJEE CC[C@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317349764 INRMXLDFKVGTDF-GOSISDBHSA-N 432.370 4.751 30 10 IJEE CCC(=NOCC(=O)OC1CCC(C(C)(C)C)CC1)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 2318633263 QCWHLXCSRNUPRH-IPJUCJBFSA-N 444.572 4.709 30 10 IJEE COc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc3[nH]ccc23)cc1 2321823700 OQQHJUZBTXXRHH-UHFFFAOYSA-N 448.552 4.504 30 10 IJEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323154048 OCTDCTOMZBKGCW-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(OC)c2)cc1F 2324123963 RVCDQGXCJYFIBC-UHFFFAOYSA-N 441.499 4.567 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc(OC)cc2)c1 2325719235 WASWYQLDKMTTJU-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCC)c([N+](=O)[O-])c1 2326251912 VDIUNSSMYDLYDP-UHFFFAOYSA-N 443.504 4.851 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC)c(OCC)c1 2326674338 WZLIWLAPHANSMD-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE Cc1ccccc1C=Nn1c(SCc2ccccc2)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 2327861065 TWMSGCPRIYETBB-OAQYLSRUSA-N 447.608 4.875 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccn1C 2328691563 VPWZZZAKPOQYEA-UHFFFAOYSA-N 431.565 4.585 30 10 IJEE Cc1ccc(C=Nn2c(Cc3cccs3)nnc2SCC(=O)Nc2ccccc2)cc1 2330324774 UEXPQXPQSGRFSK-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE C=CCSc1nnc(CCOC)n1N=Cc1ccccc1OCc1ccccc1Cl 2331293596 DAPYFZJNGYVJOC-UHFFFAOYSA-N 442.972 4.860 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)C=Cc3ccc(Br)s3)C2)OC1(C)C 2342482538 XBPAFNYUPPRHGB-GOSISDBHSA-N 426.185 4.609 30 10 IJEE Cc1cc(CN2C[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369736866 FJWRQTUNCAUALH-DHIUTWEWSA-N 448.460 4.637 30 10 IJEE C=CCc1ccccc1OCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 1284846 ROUKKKJPBCYMCM-UHFFFAOYSA-N 446.503 4.702 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(OC)cc2)Nc2ccc(C)cc2C)c1C 32972248 UDEHTWLYFJATLV-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE C[C@H](Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)C(=O)N(C)C 59816700 DAABTVSVYIAVPR-XHCMJAMOSA-N 442.548 4.717 30 10 IJEE COCCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96527947 GWZLAYXGQBANFS-UHFFFAOYSA-N 435.936 4.887 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 169955191 JAMUHWHGGWHBJA-OAQYLSRUSA-N 436.895 4.778 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 169975701 VFNNSHMXUCEVRN-NRFANRHFSA-N 440.971 4.777 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(O)cc2)cc1 170133216 NQVOLYIPTFSQCU-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170149565 WNCVHLMGHVHSFR-NRFANRHFSA-N 425.500 4.656 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccncc2)c1 170202802 KTHDKGZEBDEDPN-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170214584 PAUPCJBKTHUQFV-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1cccc2ccccc12 170220421 LRYDMXYOXHGZIS-HSZRJFAPSA-N 445.515 4.690 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1cccc2ccccc12 170221011 DDIAFYOJVOWTCB-HSZRJFAPSA-N 431.488 4.845 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1 170234336 LNEYGWMTIFOZBZ-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 170239622 NXWVEWDGHWBRMJ-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 170248185 UXMCSYZRGVLWOF-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccco2)ccc1Br 170295638 LSNIZJBCCAXLOO-GOSISDBHSA-N 430.298 4.871 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC(C)C)cc1 170472995 QJTIQFJOHVRCDC-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)NCC2(CC#N)CC2)cc1C 431046369 CXLXNAKIMJISKP-UHFFFAOYSA-N 427.552 4.991 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C(C)(C)O1 442404818 UIRNPBUKVYMKIP-FQEVSTJZSA-N 439.943 4.525 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 470333310 GPGZPYPQWWNHAI-IBGZPJMESA-N 444.881 4.768 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(O)c2)ccc1OC 526487312 XIQMKRAKIGKJKR-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(O)c1Cl 526803325 VFMQLMCONZONHD-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE N#Cc1ccc(CN(c2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 586203476 XKFKYWHCNAXIAV-UHFFFAOYSA-N 435.524 4.693 30 10 IJEE C=CCCCN(C)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 605645039 RXOBIILWJHFXPN-UHFFFAOYSA-N 426.582 4.845 30 10 IJEE CCOc1ccc([C@@H](O)C[C@H]2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 606657331 OAVODPVNABZKCN-JKSUJKDBSA-N 425.337 4.735 30 10 IJEE CN(C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCSc2ccc(Br)cc21 609254578 SZYJQPZJYZCPLO-KRWDZBQOSA-N 434.334 4.838 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1 619817639 RSKCIZHSRLFEFT-DEOSSOPVSA-N 433.581 4.757 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccccc2)C1 619818497 RFJQHDLTWQEZSW-OAQYLSRUSA-N 427.936 4.714 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 619834534 OBWYMROTHNJMIM-DEOSSOPVSA-N 435.478 4.681 30 10 IJEE COc1cc([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)cc(Br)c1O 698963447 XULGBCMKEZGGMT-CYBMUJFWSA-N 440.298 4.665 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2cccc(C)c2)cc1 729669267 UMCCVSMJUFUQFY-UHFFFAOYSA-O 437.541 4.666 30 10 IJEE O=C(/C=C\c1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc(C(F)(F)F)nc1O 732714601 VTVAUFMHUBTJHW-VURMDHGXSA-N 438.203 4.855 30 10 IJEE CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(O)nc2ccc(Br)cc12 737476465 XRTCPNRBRWUIPC-UHFFFAOYSA-N 447.672 4.846 30 10 IJEE Cn1cc([C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccc(F)cc2)cn1 773315609 GNTPDAJELRKSCG-HSZRJFAPSA-N 445.523 4.748 30 10 IJEE C#CC[C@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccn1 788353723 KEHKKNYHEQERMM-OALUTQOASA-N 443.931 4.702 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H]3C[C@H]3C3CC3)C2=O)cc1 797423941 ARWBPAWYLOZHHQ-BDTNDASRSA-N 447.560 4.648 30 10 IJEE C=CCn1c(Sc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 931415898 LZDSWUSWDQRBNE-VZUCSPMQSA-N 440.456 4.516 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2c(C)nn(C)c2Oc2cccnc2)s1 1125670847 CBEKRDQZLWMAON-UHFFFAOYSA-N 449.989 4.707 30 10 IJEE Cc1cccc(-n2c(C)c(C)c3c(NC(=O)[C@H](C)Oc4ccc(C#N)cc4)ncnc32)c1 1127959908 DXHANZWQHHFRJQ-SFHVURJKSA-N 425.492 4.623 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(F)c(I)c1)c1ccc(F)c(F)c1 1128249467 UNYZCJRHCWHLPN-MRXNPFEDSA-N 431.195 4.756 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 1136228938 ZLAIRNZVMKBOPP-OFNKIYASSA-N 443.632 4.927 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2ccccc2Cl)s1 1136315116 LKRMDJJZSRQHPH-QGZVFWFLSA-N 447.988 4.941 30 10 IJEE C=CCc1cc(CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc(OC)c1OC 1136461053 WADRDFMQGSRGGQ-NRFANRHFSA-N 448.604 4.624 30 10 IJEE C=C(CCN(C)C)C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1143229368 BZIJEXTUTBSEAA-UHFFFAOYSA-N 428.401 4.900 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccn2c(I)cnc12)c1ccccc1 1153523329 FLSBFTKKUJQMRQ-KRWDZBQOSA-N 445.304 4.766 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1155359438 PVVYEVLGCBWKNB-HXUWFJFHSA-N 442.600 4.747 30 10 IJEE C=CCn1c(SCC2(C(=O)OC)CCCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164431318 WTIUIJBOKLXEGW-CQSZACIVSA-N 432.611 4.594 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@]2(C)CCCc3ccccc32)n(-c2ccc(F)cc2)c1C 1168423253 GCVXNBKUOYSKJH-AREMUKBSSA-N 430.527 4.885 30 10 IJEE C=CCn1c(SCc2cc(C)c(C(=O)OC)o2)nc2sc3c(c2c1=O)CCCCC3 1187972306 LEKXLEVQKUGBFL-UHFFFAOYSA-N 444.578 4.893 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N(CCC(=O)OC(C)(C)C)C1CCOCC1 1200392813 GGGVDULBIVTPJF-QGZVFWFLSA-N 447.601 4.826 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)cc1 1214912153 OEGPUVXBHWNBNS-LJQANCHMSA-N 448.350 4.663 30 10 IJEE C=CCCCCCCNC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12 1220063490 UQSVRJYISOUQPD-UHFFFAOYSA-N 437.338 4.532 30 10 IJEE C#CCN(C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)[C@H]1CCCc2ccccc21 1227238053 FSNOFVUSTOLQGV-DEOSSOPVSA-N 437.628 4.523 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)cc1 1228011079 RTFCKLZHVCQIGX-OAQYLSRUSA-N 440.385 4.515 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1229990551 WPAWAQOZPOBWMK-RPWUZVMVSA-N 449.595 4.835 30 10 IJEE C#CCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1266129629 SSCRQIOSMZDLQC-UHFFFAOYSA-N 436.939 4.762 30 10 IJEE C#Cc1cccc(CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1 1275917174 HGXSZRBNDSTYDS-UHFFFAOYSA-N 437.343 4.821 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1286450837 ZMWMNSCJURYYRN-UHFFFAOYSA-N 447.530 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCN(C(C)C)C1 1286528413 ZQVSJCNWKWNSAF-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](COCC)C1 1286553876 VWTGVOCJXFQEPW-XWGVYQGASA-N 438.616 4.742 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1Cc2ccoc2CC(C)(C)C1 1286584295 DIQARDCJAQTFKE-UHFFFAOYSA-N 444.377 4.804 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C)[C@@H]1C 1286588322 BEIUNYCOFWJGAR-STQMWFEESA-N 425.371 4.753 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1286658999 GQXRWPSDVIHWIG-HXUWFJFHSA-N 425.596 4.531 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC2(CC2)C1)C(C)C 1286751597 QWTPOJUWXMYOFI-QHCPKHFHSA-N 434.632 4.728 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccc(CN2CCCCC2)cc1 1286754634 BMPVNTDTJOSYTB-UHFFFAOYSA-N 428.584 4.553 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1Cc1ccc(F)c(Cl)c1 1287602587 GDGPYDFVKIKDDB-UHFFFAOYSA-N 440.954 4.871 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)CC1 1291142292 BFXIPAPJRHJEBL-PMACEKPBSA-N 432.572 4.728 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)SC 1292602663 DGJOJIDUDPQHOV-HSZRJFAPSA-N 427.618 4.691 30 10 IJEE C#CCCCCn1c(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)nnc1C(C)(C)C 1300377032 QZTRIIRGZFSHCJ-LJQANCHMSA-N 432.515 4.558 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1300891176 JTNRVQYZUGFMKR-XAISMOLKSA-N 438.616 4.937 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cl)=C(Cl)C1 1301001828 NZBDHOMGHBSHTL-CRAIPNDOSA-N 443.419 4.689 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCSCC(F)(F)F)CC1 1301126942 FOYVJABBAKIVEQ-UHFFFAOYSA-N 446.489 4.845 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2(C)C)CC1 1301134969 PJBWWWRDJVLLBE-HXUWFJFHSA-N 437.613 4.663 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301194628 MLLDDNSEIGYOMI-FQEVSTJZSA-N 436.560 4.597 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1301259218 ICKHZFWGEXDYFB-NQIIRXRSSA-N 430.618 4.631 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1 1301354828 KFOPCKOSRUZEAC-LJQANCHMSA-N 425.596 4.683 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cnc2cc(Cl)ccc2n1 1306921278 WTZWRQUAYUHQBX-UHFFFAOYSA-N 427.892 4.930 30 10 IJEE C#CCOc1cc(F)ccc1NCc1cc(Br)c(OC)c(Br)c1 1308293305 RTKYFNQSHJLMHO-UHFFFAOYSA-N 443.110 4.983 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 1310314615 CLWWXIDHTWIGSP-FQEVSTJZSA-N 429.442 4.655 30 10 IJEE COc1cc(C#N)ccc1C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 1353212351 BMTYQSJBRGQWDQ-SFHVURJKSA-N 432.307 4.507 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)CCCN1C(=O)OC(C)(C)C 1357152300 IFMXTYSULGQSCO-RUZDIDTESA-N 442.556 4.748 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nnn(Cc3ccc(OC)cc3)c2C)c1 1358372074 VPJHISXISBAMPT-UHFFFAOYSA-N 442.544 4.533 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cnn(-c2cccc(Br)c2)c1C 1358376978 BPFDKUPYWFCBNP-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CC 1358899525 PAJSJMULGIJIKR-IEBWSBKVSA-N 432.037 4.556 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](OCCC)CC1 1358922092 SYBOMZWSOSFZGL-NRFANRHFSA-N 432.572 4.534 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)Cc1cccs1 1358976406 CWSPMPROKHULDS-IBGZPJMESA-N 441.560 4.613 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@H](C)C1 1359017983 YWZVJJHTPFDBEM-YLJYHZDGSA-N 437.588 4.849 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359083839 SCNGCLRBOLCJPC-XJKSGUPXSA-N 434.209 4.864 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359158908 HVWRPMDZKBAINA-KNQAVFIVSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1359186896 WLOKBTISSYWTHB-FQEVSTJZSA-N 448.571 4.696 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOc1ccc(Cl)cn1 1359232407 UHIMHGLBOPRHDV-HNNXBMFYSA-N 448.354 4.821 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(COCC(F)(F)F)cc1)C1CC1 1359249695 MCFZDJOECPGXGM-UHFFFAOYSA-N 431.462 4.555 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(OC)c(OC)c1Cl)C1CC1 1359251599 PUQSKIMQFJGZTI-UHFFFAOYSA-N 432.996 4.935 30 10 IJEE C=CCOc1ccc(OC(=O)c2c(Cl)ccc(I)c2F)cc1 1361117937 NEOSWVAMRGBXBC-UHFFFAOYSA-N 432.616 4.868 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cn(-c3cccc(Cl)c3F)nn2)c1 1435005166 PFVNYBFPJDGUEZ-UHFFFAOYSA-N 436.899 4.950 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)C(F)(F)c2ncccc2Br)cc1 1435978246 YDGQDURJMYSMDE-UHFFFAOYSA-N 439.256 4.584 30 10 IJEE COc1ccc(Cl)cc1C[C@@H]1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 1459523333 DITWUZCYRRJRPU-RDJZCZTQSA-N 429.948 4.712 30 10 IJEE C#C[C@H](NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CCOCC1 1461711369 LJPHTGAYYSOLEN-QDUHJBTASA-N 446.572 4.780 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCCN(c3cccc(F)c3F)CC2)cc1 1468184878 DXOAQPHKNDKMPZ-UHFFFAOYSA-N 447.485 4.768 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](O)c2cc(C)cc(C)c2)cc1OCC 1474123965 PDKRABYFZLPCPD-HXUWFJFHSA-N 434.374 4.853 30 10 IJEE CCCc1c(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cnn1-c1cccc(C#N)c1 1476433238 FPSICRKOTZDQFR-NGCSHXQWSA-N 449.599 4.880 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)cc1 1476599705 ITHCDKIYWKQKFF-UHFFFAOYSA-N 445.466 4.793 30 10 IJEE CC(C)(C)c1csc(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1C#N 1476646666 CFQBFHWNXUQTCL-HNNXBMFYSA-N 434.924 4.637 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3C[C@H]4CC[C@@H]([C@H]3C)N4C(=O)OC(C)(C)C)cc21 1477134592 JFVIPMSIGKBKLE-OBZTUIKSSA-N 439.560 4.520 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CC1 1478476026 GZVYMIYYWLMWEL-UHFFFAOYSA-N 445.350 4.718 30 10 IJEE CCOc1c(Cl)cc(Cn2c(N3CCC(CC#N)CC3)nnc2C(C)(C)C)cc1OC 1502765667 DJDKZUPRCNNCHO-UHFFFAOYSA-N 445.995 4.815 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)cs1 1503921211 ASJRHWGEOIDBCL-CHWSQXEVSA-N 448.955 4.546 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1507548084 QZCOGPHSVSWFKC-YADHBBJMSA-N 439.673 4.705 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1507556395 IEWGUVLPDYBQGY-WPFOTENUSA-N 436.600 4.844 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1c(C)nn(C)c1C 1507556598 JQFDAKVLQYJETK-QFIPXVFZSA-N 448.615 4.825 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507703359 VLOLLMDLSMGNBA-FYQPLNBISA-N 442.991 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccncc1Cl 1507805974 FOKYEFVVSGDWLS-UHFFFAOYSA-N 438.963 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1507808134 XUGKVYADEIJMFM-KSPVPNAGSA-N 429.008 4.986 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1C1CCC1 1507837169 JUCAVBKDILNGCK-GCJKJVERSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(F)cc2)CC1 1507909958 ANMPRDUYZIBJSA-UGKGYDQZSA-N 442.579 4.521 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nnc(C)s1 1507968057 OPGGPOSYMJCJDS-CQSZACIVSA-N 432.981 4.519 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@H]1C 1519149747 BJNYWKBZIRFRPY-YKSBVNFPSA-N 435.616 4.972 30 10 IJEE CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1521101720 HWWIPAPSXKVKLN-UHFFFAOYSA-N 441.369 4.959 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2 1521115282 MWIWNUGSPVSNHD-UHFFFAOYSA-N 435.547 4.886 30 10 IJEE C=CCN(C(=O)c1ccc([C@H]2CCC(=O)N2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1522118373 CLGNZNBPFOIWPX-LJQANCHMSA-N 448.504 4.502 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)cc1 1524019907 DKDNZMAPCLSHII-CABCVRRESA-N 430.595 4.670 30 10 IJEE N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1525055841 GOWMLGVFVIQEBN-LJQANCHMSA-N 448.375 4.728 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)c1ccc(C(F)(F)F)cc1 1526559978 CRCLHGMFIDUNDC-INIZCTEOSA-N 437.462 4.832 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCC)[C@H](C)c2cc3ccccc3o2)ccc1F 1526668756 KSTLVRVCEXOLLA-MRXNPFEDSA-N 444.528 4.650 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CCCN1C(=O)OC(C)(C)C 1526865555 ZOOUWCIEWVJHMR-VWLOTQADSA-N 428.548 4.547 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(F)cc(Br)c3C2)cc1OC 1530889837 NSFJTRAMFRWYHB-FNORWQNLSA-N 446.316 4.760 30 10 IJEE C/C(=C\C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)F 1537418729 OGTQPSYRBJYRCV-TYZQSYOASA-N 426.341 4.971 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2csc3ccccc23)CC1 1539832582 VRCJZFVSOHFPFX-GOSISDBHSA-N 426.586 4.616 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(COC)CCCCC2)CC1 1539855740 FHMSDBPJABRYKR-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN(C(C)C)C(C)C)CC1 1539856299 XRZNDCORSZDSBM-UHFFFAOYSA-N 425.621 4.749 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1539878217 WBEKGEISXWZLPT-UHFFFAOYSA-N 449.643 4.951 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN(C(C)C)C(C)C 1540056349 CZTLMYLWBLVFEX-UHFFFAOYSA-N 434.426 4.839 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1ccc(NC(=O)c2ccco2)cc1 1540140753 SJAFVBYCMFQWAM-UHFFFAOYSA-N 433.537 4.734 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(CCCC)cc2)C(C)C)c1 1540430697 VVBLZZTVTVFPRW-DEOSSOPVSA-N 425.594 4.953 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1540885813 PITXTEZJUSJXJY-CBGDNZLLSA-N 430.980 4.583 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCc1cc(Br)ccc1F 1541805012 HYDVNQASJBQUAH-CQSZACIVSA-N 436.373 4.749 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(CC)(CC)C2)c1 1556756714 ZJEBRRFOSMFOGY-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)OC 1558383415 TZYXWPAHBCPMBO-FQEVSTJZSA-N 438.528 4.517 30 10 IJEE C=CCn1c(SCc2cc([N+](=O)[O-])ccc2Cl)nc2sc3c(c2c1=O)CCC3 1559328845 OYQZCDQMJVHPOU-UHFFFAOYSA-N 433.942 4.987 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 1562423760 UIQCFHZDARVNKN-WMLDXEAASA-N 425.476 4.855 30 10 IJEE CC#CCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1569822679 IYBISUQQHLLJKG-AREMUKBSSA-N 444.575 4.956 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nccs1 1587561626 FWEJXSCXKVFURW-CVEARBPZSA-N 429.977 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(OCC)c1 1587586779 SFNGZANPTGKPBU-AWEZNQCLSA-N 445.386 4.674 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1587769724 MPVFQNXMJQNCCE-UHFFFAOYSA-N 426.580 4.995 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@](C)=O)CCC1 1588276796 ZIPIWTCJAHDVSD-LJAQVGFWSA-N 447.029 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCc2cccnc21 1588280466 LITXSDCKYBIQGF-LJQANCHMSA-N 437.494 4.521 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(F)cccc1Cl 1589515678 RATRONBJUFSJJW-FOIQADDNSA-N 429.927 4.683 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CCn1cc(Cl)cn1 1589694840 UUDAUMFCADPSGP-UHFFFAOYSA-N 431.009 4.831 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1cccc(O)c1 1589715726 RWTKUICBVLPDAH-AWEZNQCLSA-N 430.350 4.525 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C1CCC(C)CC1 1593620985 KEUJHWPXDPCRAL-UHFFFAOYSA-N 434.588 4.827 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC[C@H](C)C1 1594559560 MVHCCGMKNRDLDS-PMACEKPBSA-N 448.615 4.811 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1594559884 SNSSXEYYKSNNCN-OFVILXPXSA-N 439.604 4.559 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(C)C)C1 1594573532 SVQZHRWELZRYFG-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1594744583 UWHSMXQWHLJMRM-NRFANRHFSA-N 435.641 4.997 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1594788264 JLWCCUURTYCTHN-CALCHBBNSA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1ccnc(SC)c1 1595127131 GEMXDARCQSILHK-UHFFFAOYSA-N 448.571 4.781 30 10 IJEE N#Cc1cc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)c(F)cc1F 1595645466 AOMJEFCLMSAEQK-UHFFFAOYSA-N 441.434 4.959 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1595854716 KUKSQJCVDRWXJN-GOSISDBHSA-N 448.658 4.603 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 1595945616 PHVDDCMWIDAQRR-KRWDZBQOSA-N 443.507 4.541 30 10 IJEE C=CCc1ccc(OCC(=O)N(c2ccc(C)c(Cl)c2)[C@H]2CCO[C@H]2C)c(OC)c1 1597280959 LTWHCWHLNDOCOQ-UWJYYQICSA-N 429.944 4.975 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 1612233147 COEATYFFGXRWJB-TXTKFYIRSA-N 439.604 4.745 30 10 IJEE CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1615527522 DMAOXFXAFGYYGD-UHFFFAOYSA-N 426.446 4.515 30 10 IJEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@H]1CCCc2ccccc21 1617567391 YZEIDLAECFNYKI-QFIPXVFZSA-N 447.535 4.616 30 10 IJEE C#CCN(CCCOc1cccc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1620580182 ODJGQLULEZDIDY-UHFFFAOYSA-N 440.506 4.809 30 10 IJEE C=CCCCCNC(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1634469340 GQNUBIDTJZEESF-QINSGFPZSA-N 442.368 4.685 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1)c1ccc(Br)cc1 1635130341 FZWMHVDXQAGGFD-ROUUACIJSA-N 431.330 4.591 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1scc(C2CC2)c1C(=O)OCC 1640244149 GUUDJIFAFXMBJG-MRXNPFEDSA-N 436.574 4.990 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)c1 1643270008 MGVQGAMCPRSWQM-FQEVSTJZSA-N 445.485 4.582 30 10 IJEE Cc1ccc(-n2c(SC[C@H](O)CC#N)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1C 1643437956 FHBOVEMSONFLJN-SUMWQHHRSA-N 439.606 4.556 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)C(=O)OC 1644819968 VGLFBOOKDPOBBH-KRWDZBQOSA-N 427.526 4.504 30 10 IJEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)C(C)C 1648397419 DFFJGMXMLMYCPE-UHFFFAOYSA-N 444.000 4.815 30 10 IJEE COCCC1(Cn2c(Cn3ccc4ccccc43)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1649682841 FONMHWUFDZQLRI-NRFANRHFSA-N 448.615 4.864 30 10 IJEE O=C(CNC(=O)C1CCCCC1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1651090821 BOAIAJMREUZGIM-UHFFFAOYSA-N 428.348 4.611 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3ccc(C#N)c(Br)c3F)C[C@H]21 1651678393 QFWVOEVBZVYKDR-RBSFLKMASA-N 438.341 4.589 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 1652403236 IQWSZZLJNUHCBC-VWLOTQADSA-N 427.548 4.996 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCOc3c(Cl)cc(Br)cc3C2)cc1 1653381180 CRAFQTOIOVOCRF-UHFFFAOYSA-N 434.717 4.539 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C(C)C)[C@@H](O)c2ccccc2)cc1OC 1657279563 BAOBDMNLJMEBMA-RTWAWAEBSA-N 434.374 4.870 30 10 IJEE C#CCN(Cc1cc(Cl)cc(OC)c1O)[C@H]1CCOc2ccc(Br)cc21 1657513474 JCNCQOJJUGZPKS-KRWDZBQOSA-N 436.733 4.776 30 10 IJEE C#CCN1CCC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1 1658596663 KBQBINJMNDIIHI-DEOSSOPVSA-N 428.580 4.514 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nc(C(F)(F)F)cs1 1662573852 OUISBKPXRRBKSJ-UHFFFAOYSA-N 436.253 4.811 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3c(F)cccc3F)CCCC2)cc1C(F)(F)F 1666985335 AICUMMRHMUUGPI-UHFFFAOYSA-N 444.425 4.646 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1667060930 IKXXGJVRZMDWBQ-RYLXDESZSA-N 433.618 4.513 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CCCC1(C)C 1672803903 IZEWIMROAZXZJK-JQVVWYNYSA-N 447.645 4.952 30 10 IJEE COc1ccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1NC(=O)C1CCCCC1 1674564514 GMXQEYDVMIHQDV-UHFFFAOYSA-N 432.524 4.896 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](c3cncc(Br)c3)C3CC3)cc21 1674679703 PPZBBIDRWVSTRP-LJQANCHMSA-N 426.318 4.653 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(Br)cc1 1676962404 BROVNVZZYLRSSV-RXVVDRJESA-N 443.341 4.591 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2cccc(Br)c2I)C1 1678780094 XGCZXPVOWIYKKU-NSHDSACASA-N 449.130 4.874 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CC)(N2CCCCC2)CC1)c1ccc(Br)cc1 1683512830 RETHVSJDXYIBJB-FQEVSTJZSA-N 432.406 4.564 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccccn1 1689828433 NYRHXZXREHDUFC-RTBURBONSA-N 437.975 4.784 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CCCO)CC1 1689938191 DEKAGUGOBQBHOY-UHFFFAOYSA-N 438.616 4.557 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1690155265 IHPIDJCMDDAZBU-AWEZNQCLSA-N 443.564 4.627 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1690222328 RQAXIEGBCOZKHV-MRXNPFEDSA-N 425.321 4.898 30 10 IJEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC(OC(C)(C)C)CC1 1690493203 AAXBXUZBVGCYCP-UHFFFAOYSA-N 428.577 4.616 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCc1cccs1 1690569602 KHEWEANGCGJZTF-IBGZPJMESA-N 426.561 4.808 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCC1CCN(CC)CC1 1690590931 CYGPXGVNXJYSDS-UHFFFAOYSA-N 432.616 4.737 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cccs2)C1 1690686699 RZURMVMZUXHQOK-APWZRJJASA-N 444.988 4.963 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC(F)F)C1 1690690203 TUZUINUWZZLHBO-CQSZACIVSA-N 447.313 4.663 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)CN2CCCCC2)c2ccccc2n1 1692986369 HNVHRYFFMVPSOB-PMACEKPBSA-N 445.615 4.520 30 10 IJEE CO[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cccc(C#N)c1 1697110269 GYJOXGFHRHLTSE-DLBZAZTESA-N 435.597 4.674 30 10 IJEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C(C)C 1697634929 FZCSECUXDCBUKC-UHFFFAOYSA-N 444.564 4.745 30 10 IJEE CS[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCOC(C)(C)C)C(C)(C)C 1698347081 DXHIVEIAHWSMFN-IBGZPJMESA-N 429.634 4.846 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)CC[C@@H]1C 1705690016 HXZFNCRLOQCATH-ZBFHGGJFSA-N 428.378 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC(C)CC1 1705710208 VTRUTLAGDPGYSV-WMZHIEFXSA-N 442.629 4.797 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1705732317 VLVSMPAAGPAMKN-DLBZAZTESA-N 433.394 4.783 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N(C)Cc1ccc(Br)s1 1705732490 APBFIDRRKJHEIL-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CC2=CCCOC2)CC1 1705766190 PYWDMXBTAVCDDR-UHFFFAOYSA-N 438.572 4.636 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@H]1C 1705787098 HYDWKEXUEXEDSA-LJQANCHMSA-N 439.604 4.753 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1705811095 QTQMNLICDWXAGP-SFTDATJTSA-N 439.604 4.753 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1705824915 DMNXHNJTPFIZMJ-OAHLLOKOSA-N 443.539 4.854 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705847925 BPBXOHBSUSZNCJ-OFNKIYASSA-N 426.605 4.883 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(OC)CCC(C)CC1)C1CC1 1705854631 XLTBIJFGJCSEPX-UHFFFAOYSA-N 430.543 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCC2)n1CCc1ccc(OC)c(Br)c1 1705874742 VNQQAUUSCXHIAX-UHFFFAOYSA-N 431.378 4.738 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705877391 FPCBZDCAUOBNRA-BKMJKUGQSA-N 431.584 4.923 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC(F)(F)C1 1705879773 LCOHSGYPSXRVPW-IBGZPJMESA-N 427.499 4.527 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1 1705880372 CZTKYVBYOCNMIV-GOSISDBHSA-N 441.576 4.556 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 1708039962 AWUCSUXEKNFWGA-HIFRSBDPSA-N 434.407 4.945 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1722451586 LVKCCHJYBNKSLB-BZSNNMDCSA-N 433.021 4.920 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cccs1 1722465237 GUASLHKHYYOVRO-LJQANCHMSA-N 442.585 4.766 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1722481999 DFRZSYWQDFKJKQ-SJLPKXTDSA-N 435.341 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)OC1CCCC1 1722491712 BLQLLDHJNYGDRY-PXNSSMCTSA-N 448.514 4.838 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)CC(C)(C)C1 1722511169 XJCJUCAHQYVWJZ-IZIIKQMZSA-N 438.616 4.731 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@H](C)N2CCCCC2)CC1 1722559932 MIMHGNQPFAECPI-LEWJYISDSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1722562582 DYQWPOYLCKPCJJ-NLFFAJNJSA-N 440.588 4.857 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCOC[C@H]2C)CC1 1722577121 XWTWQXSZRSMKEH-SJLPKXTDSA-N 445.405 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(c2ccnn2C)CC1 1722591825 MTWGWPSGTPSDKA-UHFFFAOYSA-N 436.579 4.728 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1722601188 FOSXWEXTHGVWRL-GOSISDBHSA-N 429.565 4.554 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1722646867 MSBGYBGUXGEMTN-RDGPPVDQSA-N 428.552 4.916 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)COC1 1722666485 GRCKSYCARVKYOU-SFHVURJKSA-N 430.980 4.903 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(C)(F)F)cc1 1722678799 YQPUUDQBTDHOKD-UHFFFAOYSA-N 447.917 4.792 30 10 IJEE CC(C)SCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1 1723735570 AWUHVLJVQYAQFU-QHCPKHFHSA-N 436.585 4.872 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2ccco2)C1 1727958919 AIDHKQOIOFNZBI-NRFANRHFSA-N 433.556 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OC)CCCC1 1740539178 BIJDLISDQZPNJI-LJQANCHMSA-N 434.540 4.534 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@](C)(C#N)C1 1740804687 FGNKPANFONGFFZ-INIZCTEOSA-N 426.771 4.652 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cn(CCCC)nc2C)CC1 1740835380 LRSZLYKANLFYRK-UHFFFAOYSA-N 449.559 4.609 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C)CC1 1740848928 UPTORKNOTHRVOI-HXUWFJFHSA-N 437.636 4.681 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(N(C)C(C)=O)CC1 1740870465 ORGUGYVHCBCXNE-KRWDZBQOSA-N 441.645 4.545 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC(C)(C)COC)C1CC1 1740907537 WPPIQHZDGUYYLS-UHFFFAOYSA-N 425.396 4.597 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1C(F)(F)F)C1CC1 1740908582 DCHUYNCSNKHIBV-UHFFFAOYSA-N 429.446 4.571 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF 1740919805 SMLLQMXHVTWUBN-KBXCAEBGSA-N 448.315 4.898 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CC(=O)N(C)C1CCCCC1 1740926276 YBXKSXZODXQNSF-UHFFFAOYSA-N 427.980 4.568 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1OCC[C@H]1C 1740935691 UFOLBINTAVLKFC-WIYYLYMNSA-N 437.975 4.654 30 10 IJEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(CC)(CC)C1 1745433029 CPFSYWNNLRMGGL-UHFFFAOYSA-N 440.661 4.661 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 1748727740 SPNSPBNSUKCSDD-HXUWFJFHSA-N 439.560 4.906 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCC1(F)CCC1 1748901829 AUORSWRYOBPQFK-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCCC1(F)F 1748902772 KSBINRCWTHHNMG-NRFANRHFSA-N 440.538 4.708 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccccn1 1749028097 ZPXDIJZYELVMET-UHFFFAOYSA-N 432.380 4.650 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N 1749122576 YAAYPQMYUWHDLE-JUXOCIIHSA-N 439.629 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C 1749364338 QMRZAWKIAMDVJC-RTBURBONSA-N 448.615 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1749366821 MOZBVXCCOQVNKS-UHFFFAOYSA-N 427.637 4.767 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1C[C@@H](C)C[C@H](C)C1 1749466196 LYCFKZGPJGUIAI-UFYCRDLUSA-N 429.584 4.547 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1sc(C)nc1C)C1CC1 1749508707 XXDHEKZBUKVHEE-HNNXBMFYSA-N 427.549 4.834 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CCCC2)n1Cc1c(C)nn(C)c1C 1749585764 CVRIPDJVIQHZLL-UHFFFAOYSA-N 432.616 4.645 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760285357 CSNVFSMTXAVCFM-WIYYLYMNSA-N 426.630 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@H]1C(C)C 1760291281 JDBKGRJIWYNYKJ-CODAWKSHSA-N 442.991 4.660 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOCC1CC1 1760302454 DKXSBVBUAZHNLQ-UHFFFAOYSA-N 443.748 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H](C)c1ccco1 1760324402 KDSWZOXCYKHCJD-STSQHVNTSA-N 440.519 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](CC)N1CCCC1 1760330781 MGOCBOJYKZPUMY-HXUWFJFHSA-N 446.437 4.984 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1760350233 AFMCHFHPZNEKHT-WOJBJXKFSA-N 432.996 4.831 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(N(C)C)CCCCC2)CC1 1760392395 OKVXPZQWRFCYJY-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1760408607 PULPMEUQVKPFND-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760410022 QTRUEZDAIKYRCT-YJBOKZPZSA-N 433.478 4.575 30 10 IJEE C/C(C=NN=C1NC(=O)[C@@H](CC(=O)c2ccc(Cl)c(C)c2)S1)=C\c1ccccc1 1772760046 MVBWGLILEHMUGD-FOZAYOCWSA-N 425.941 4.898 30 10 IJEE COCCCN(C(=O)CCc1ccc(OC)cc1)[C@H](C#N)c1cccc(Br)c1 1857958631 VLDVGQPSKCKWMW-OAQYLSRUSA-N 445.357 4.520 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c1C#N 1860668120 VDERFZAPGHEWTB-KRWDZBQOSA-N 425.554 4.905 30 10 IJEE O=C(/C=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(I)cc1 1860727137 SMXLXLXLVUQWRX-KRXBUXKQSA-N 446.071 4.819 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Cl)ccc1Cl 1862258766 LHIPHBUJLSDDAC-FQEVSTJZSA-N 435.326 4.674 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOC(C)C)cc1 1862431498 ILQFSANIDLJCRO-NRFANRHFSA-N 427.928 4.906 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(F)cc1 1862501479 CYYLFBASILJIGO-QFIPXVFZSA-N 442.506 4.583 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 1862519495 LNWINMRKIYFBKQ-QHCPKHFHSA-N 436.552 4.776 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 1862593798 LHXJQJUYSXJEPK-NRFANRHFSA-N 436.464 4.602 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 1862605681 ZXGLQJSTKMTDRR-ZDWFVDTJSA-N 433.504 4.615 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(C)c3C)C2=O)cc1 1862828870 TXUHAVMDQOARHR-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(SC)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863058916 MXIQYPCNRJEWKW-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE Cc1cc(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094969 JUAABHKUWKDDDI-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCCN(CC)CC)C1=O 1863509368 PHLUVXJRFAZGEE-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866724079 MHLMCVKXMVYSLG-BJKOFHAPSA-N 449.620 4.935 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CSc2ccc(C)cc2)cc1=O 1870259732 GOPCHDJCXDEJDX-UHFFFAOYSA-N 430.614 4.934 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2)c(CN2CCC(N(C)C)CC2)cc1=O 1870410660 ADMLBOKNNFJKNP-UHFFFAOYSA-N 439.644 4.772 30 10 IJEE C=CCn1cc(OCC2CCCCC2)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1870913647 YDGGYRHQVISPCE-UHFFFAOYSA-N 442.556 4.631 30 10 IJEE CC(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCCN3CCCC3=O)CO4)C2=O)cc1 1871350175 OJRPLVQMEFCKTQ-IWIPYMOSSA-N 446.547 4.591 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1[N+](=O)[O-] 1871371926 POWHDERMNVAOJJ-NKVSQWTQSA-N 446.371 4.647 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)c3C)C2=O)o1 1871448477 RCIASTUQEWIEAK-RANIVTSPSA-N 448.431 4.827 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872245473 SSFATXHIENVHFS-JOCHJYFZSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1872289880 BNTXVNYQUWELEF-NTKDMRAZSA-N 440.609 4.611 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872488942 SIJXFAMAFWFPBO-FQEVSTJZSA-N 438.952 4.628 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(Cl)c1 1874222432 QKIJVWRQKMIHHM-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1ccc(F)cc1F 1874226818 FGBZCRSBHWUEBN-ZMOGYAJESA-N 430.480 4.694 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cc(C)ccc1O 1874243259 VVNFVPJTLUHSLK-OEAKJJBVSA-N 426.542 4.654 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CC(=O)N(C(C)(C)C)C3)n2/N=C/c2ccccc2)cc1 1874272796 RBPIUDFOJWEOFE-YYHBXHNPSA-N 447.608 4.875 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(C)C)cc1 1874359732 WNKRUOGVELSFKU-AFUMVMLFSA-N 436.581 4.756 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2O)c1 1874421847 HNJSQXSDMZJORD-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccccc1C 1874479220 PDEOGGVMCNEXCO-ZVHZXABRSA-N 432.553 4.752 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccs2)c1C 1874483084 CSUUUHAUOTVKLB-WSDLNYQXSA-N 427.599 4.867 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874486101 APPFOXSEWQVIJU-SSDVNMTOSA-N 442.416 4.626 30 10 IJEE C=C(C)CSc1nnc(CC(C)C)n1/N=C/c1cc(Br)cc(OC)c1O 1874490069 YKOTUZTWDONWNH-AWQFTUOYSA-N 439.379 4.504 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccs1 1874492896 LDLBJUCBZBEZGX-WSDLNYQXSA-N 425.583 4.837 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCC(=O)Nc1ccccc1C 1874582666 ZXHMESJZUXCCIQ-ZRDIBKRKSA-N 445.471 4.646 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c([N+](=O)[O-])c2)cc1 1875138247 KMXRKTRDZHODLF-ONNFQVAWSA-N 447.447 4.597 30 10 IJEE Cc1c(S)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C#C[Si](C)(C)C 1887522912 YKPJFFGPXHYOBO-UHFFFAOYSA-N 432.706 4.874 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2020316724 FHGFLKOLIAWPGA-DVECYGJZSA-N 437.625 4.617 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 2023553698 VLWREAFIXVEMBE-MRUHUIDDSA-N 436.557 4.900 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCN(Cc2ccccc2)C2(CC2)C1 2042184280 ANKAFJLBSLQRCY-IXCJQBJRSA-N 434.624 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCN(CCCB2OC(C)(C)C(C)(C)O2)C1 2044524210 CEONRYJAQLISPY-VQTJNVASSA-N 436.446 4.970 30 10 IJEE C=C(Br)CCOc1c(Br)cc(Br)cc1CNCC 2045031467 KELLZCHAWMNSGW-UHFFFAOYSA-N 441.989 4.999 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(O)c1 2079006392 YMCGDKDUUZUTRZ-INIZCTEOSA-N 435.309 4.670 30 10 IJEE Cc1nn(-c2cc(C(F)(F)F)ccc2F)c(I)c1C(F)(F)F 2079671120 SGMSRNLGGFGYMB-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)cc1 2101329135 OOLGXIHKHFVJAE-MRXNPFEDSA-N 442.365 4.777 30 10 IJEE Cc1cc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2116068934 KMWFPCHBCCOEOW-GGAORHGYSA-N 436.405 4.509 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1cc(Br)cc(F)c1C#N 2118151288 OADWNMBUGGDELV-SJCJKPOMSA-N 426.330 4.542 30 10 IJEE C=CCN(CC[C@H](NCC)c1cccc(OC)c1Br)C(=O)OC(C)(C)C 2142379871 KFEJINVDCYENQW-INIZCTEOSA-N 427.383 4.922 30 10 IJEE CCN(c1ccc(C#N)c(Br)c1F)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2174811210 VGKMMQRIFDAIMP-GJZGRUSLSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(C1)CN(c1cccc(Br)c1C#N)C3 2174816013 ZBCLQCDFLHQPEQ-SFTDATJTSA-N 432.362 4.548 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1sccc1I 2227473664 OTXABBJXUAQSFU-AWEZNQCLSA-N 446.151 4.818 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)c(C)c1Br 2229403206 OHGDWSZDLKHURN-CQSZACIVSA-N 445.423 4.945 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(N)(C#Cc1ccccc1Br)CC2 2235722777 SUJQLYXGXHZHPD-PPNDLDFTSA-N 433.390 4.603 30 10 IJEE C#CC(C)(C)C[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237431761 XGLKVDHHAXZEMZ-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE COc1ccc(C#C[C@@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2237746949 IEWUMIUUHSHWPK-GOSISDBHSA-N 431.330 4.856 30 10 IJEE CN[C@H](C#Cc1ccc(C)cc1)c1ccc(Br)cc1I 2239637643 FYMLUJLWLZSWSP-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE CCC1CCC(C#N)(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243928185 DMSQMPFDIXLWNO-UHFFFAOYSA-N 445.563 4.894 30 10 IJEE CC1(C)OB(c2sccc2C(=O)N(Cc2ccccc2)CC2CCCC2)OC1(C)C 2247901301 IJALKLHVDQOKAQ-UHFFFAOYSA-N 425.403 4.880 30 10 IJEE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2267124238 ZSLAPTYCKLKLHH-IYARVYRRSA-N 444.381 4.864 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCC(F)(F)F)Cc1ccccc1 2267603088 XFBXBUMJNBXYMG-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE C=C([C@H](OCC(=O)O)c1scc(Br)c1Br)[Si](C)(C)C 2275826028 YKWWLKJYELAYCW-NSHDSACASA-N 428.218 4.849 30 10 IJEE N#C[C@@H](C(=O)c1cccc(I)c1)c1ccc(Br)c(F)c1 2287144403 WPGKIAMKNRKDLG-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)sc1C 2296132992 TVGDWDDPHYHZSH-SFHVURJKSA-N 440.908 4.745 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CC1(N(C)C(=O)OC(C)(C)C)CC1 2296217071 QGKIIKIYILMBOG-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2296303608 YBZKUBQDULGVGA-YZGWKJHDSA-N 435.406 4.862 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 2297745549 NNPMODGESVDNNE-XMMPIXPASA-N 427.500 4.668 30 10 IJEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2300005944 CKVNAZALAJELSQ-NHCUHLMSSA-N 436.557 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C 2321299710 BGJCGDWFJVGIER-PMIMVTRFSA-N 446.632 4.524 30 10 IJEE C=CCOc1c(OC)ccc(C=CC(=O)c2cc(OC)ccc2OC)c1Br 2323177694 DIGDRHCJWMRLIQ-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2323854459 DVVNUBWVRJWIFN-UHFFFAOYSA-N 442.423 4.816 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Br)cc2)cc1OCC 2325648598 LAEWRJSHGOVHDY-UHFFFAOYSA-N 432.314 4.858 30 10 IJEE CCOc1ccc(CCNC(=O)C(=O)C=Cc2cccc(Cl)c2Cl)cc1OCC 2325715593 PJYRKNGNLDFQSX-UHFFFAOYSA-N 436.335 4.732 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1OC 2325790226 NQLCDXIEQQEQHE-UHFFFAOYSA-N 442.103 4.831 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2N=Cc2c[nH]c3ccccc23)cc1OC 2325885121 AHJGEOIGKPGYAM-UHFFFAOYSA-N 435.553 4.556 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc1OC 2326730008 DJWGZAYWVIDKNJ-UHFFFAOYSA-N 444.532 4.570 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(OC)c(OC)c1 2329336639 LOLLQUQYAXULAP-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE Cc1ccsc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCC(=O)OCC(C)C 2329860268 GZRHRSBCECNCQT-UHFFFAOYSA-N 446.573 4.551 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 2330578225 AYVYLCFIKHNEPD-DEOSSOPVSA-N 437.540 4.942 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)c1 2330643597 WPPAJJCWQBSJEA-UHFFFAOYSA-N 427.533 4.867 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)c1 2330785843 CXPMIELICLTNBM-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)cc1 2331468138 COAFCJIOTKUQFQ-UHFFFAOYSA-N 436.025 4.753 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(Cl)cc1 2331640427 DLBVPNHHZOJMGA-UHFFFAOYSA-N 427.961 4.805 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2339589424 XFQQGDGTHIJKBA-QYZOEREBSA-N 441.381 4.536 30 10 IJEE CSC1(C#C[C@@H](OCCN)c2scc(Br)c2Br)CCC1 2361294333 MVZLDZNBCJVXEO-LLVKDONJSA-N 439.238 4.579 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2366226703 IHSAPXKPWPBZIL-DXIQSLLYSA-N 433.390 4.568 30 10 IJEE Cc1cc(C)c2c(c1)/C(=N/Nc1ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc1)C(=O)N2 23322331 RBRIOSWVFLAIDJ-IBGZPJMESA-N 440.547 4.823 30 10 IJEE Cc1ccc(-c2ccc(CCC(=O)NCCCN(C)C)n2-c2ccc(CC#N)cc2)c(C)c1 23336020 GSBWZFAORTVVGD-UHFFFAOYSA-N 442.607 4.828 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CCc3sccc3[C@@H]2C)c1=S 23854539 KRMHIHARQWMLKQ-HNNXBMFYSA-N 430.574 4.956 30 10 IJEE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)/C1=N\Nc1ccccc1Cl 27497363 SNNZHRJNUJGDGJ-QJOMJCCJSA-N 440.872 4.562 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c1 33404928 UXVFPFJJNNCMSN-QHCPKHFHSA-N 428.488 4.649 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3ccccc3n2Cc2ccccc2C#N)C1 95084817 PIOKXRBARASJLE-HXUWFJFHSA-N 432.524 4.735 30 10 IJEE Cc1ccccc1NC(=O)c1sc2nc(C)n(Cc3cccc(C#N)c3)c(=O)c2c1C 96523012 WKGMOIIDJFRBLG-UHFFFAOYSA-N 428.517 4.556 30 10 IJEE COc1ccc([C@@H]2/C(=C(O)/C=C\c3ccccc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 103117858 NDBNRVXRKGIGMS-CQZCMCKUSA-N 441.483 4.886 30 10 IJEE COc1c(Br)cc(/C=N/Nc2ccc(F)cc2)c(OC)c1Br 169879111 ZILLQFKLECXSON-UFWORHAWSA-N 432.087 4.814 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2O)c1 169931986 VNMWIDAGOFVFJM-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972449 HLNQXPFPZCVRNT-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccnc1)c1cccc2ccccc12 170013758 SQOIIRAOUKNJJH-HSZRJFAPSA-N 446.466 4.894 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2)cc1C 170065053 OHEHOTUCDSOZJV-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc(OC)c1 170120394 KVZNJHWCPOZDRU-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(C)c2)c1 170145614 YMKULRMUCQKXIH-OAQYLSRUSA-N 443.927 4.662 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)cc1 170162889 FCMLBWWTQQDKHL-NRFANRHFSA-N 434.517 4.709 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)c1 170170612 ZFHJHZCVOJVCJH-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccn1 170181722 PTLNRJMIGVWVQK-HSZRJFAPSA-N 430.504 4.628 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)c1 170221541 ATRGKYGKTGNJQX-GYCJOSAFSA-N 441.483 4.802 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)c1 170250454 YCROHPBWPFKRPF-JOCHJYFZSA-N 435.451 4.984 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2c2ccccc2C)o1 170305518 CBFXTYDWRGFKBP-QHCPKHFHSA-N 444.487 4.508 30 10 IJEE C=CCn1c(C(=O)NCCCn2ncc3c(C)cccc32)cc2oc(Br)cc21 223721859 VETDYBKGJFOJCS-UHFFFAOYSA-N 441.329 4.661 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 442270450 HCXZVUBAOWLSLG-ICSRJNTNSA-N 437.506 4.757 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460934648 UCQYUMKHOJNPID-UHFFFAOYSA-N 425.536 4.641 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 508911283 HXSONMURKLDJEQ-MBSDFSHPSA-N 434.540 4.505 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)c(OC)c2)cc1 526604482 NAPDFFDZLFAOHF-XMMPIXPASA-N 442.471 4.728 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(SCc3ccco3)C2=O)c1 526668781 RPCWYCRQXVAJQJ-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)cc1[N+](=O)[O-] 526808339 RZKGTIWJIYKVQJ-XKZIYDEJSA-N 425.514 4.766 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C(=O)OC)cc1F 530282258 FCVCDJORYBUXIX-UHFFFAOYSA-N 427.501 4.570 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc([C@H]3CCn4c(cnc4C4CCCCC4)C3)n2)c1 544396951 SJYNOKFCWXONMO-FQEVSTJZSA-N 431.540 4.627 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2ccsc2)C1 563228233 SJTKBTUTWUAZHF-OXJNMPFZSA-N 428.533 4.773 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730933034 UACMNALXCDJQLB-UHFFFAOYSA-N 441.988 4.568 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1c(-c2ccc(F)cc2)noc1C 744694773 GWWDKEAOGQYGNO-OAHLLOKOSA-N 428.485 4.611 30 10 IJEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 746147414 UTXYHXIORKRMLZ-MRCUWXFGSA-N 430.291 4.515 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)N[C@@H](C)CC)cc1 749887852 AFQSMGMRRZTYEE-SFHVURJKSA-O 440.633 4.932 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccc(F)cc1 916211253 NBNFBULUTQKWHC-HXUWFJFHSA-N 441.528 4.761 30 10 IJEE COc1cc(OC)cc(Oc2ccc(/C=C\C(=O)c3ccc4c(c3)NC(=O)CO4)cc2)c1 920863834 DUHJRQMFUIIWJL-UITAMQMPSA-N 431.444 4.723 30 10 IJEE CSc1ccccc1N/C(=N/C[C@@H]1CCC[C@@H](CN)C1)N1CCC(N2CCCC2)CC1 1088652407 MYTGTRSMUFTVAM-NHCUHLMSSA-N 443.705 4.502 30 10 IJEE C#CCN(C(=O)c1ccc(F)c2cccnc12)[C@@H]1CCOc2ccc(Br)cc21 1126150634 CAJSLMHLBUTGSX-LJQANCHMSA-N 439.284 4.736 30 10 IJEE C=CCC[C@H](NC(=O)CC1(C(=O)OCC)CCOCC1)c1ccc(C(F)(F)F)cc1 1127418375 JFBSTOBHTMQEED-SFHVURJKSA-N 427.463 4.579 30 10 IJEE C#CCOc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCCCC2)cc1 1129123281 FGHPGBIWRIIEFP-UHFFFAOYSA-N 426.354 4.979 30 10 IJEE C#C[C@H](NC(=O)c1cc(Cl)ccc1Br)c1ccc(Br)cc1 1129609593 XQRSLAXUEIQTMX-HNNXBMFYSA-N 427.523 4.969 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Br)c(F)c1C)c1ccc(Br)cc1 1129610588 NEYKZZNOVXMSEL-OAHLLOKOSA-N 425.095 4.763 30 10 IJEE C#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C1CCOCC1 1131256660 DWAJXBAJUGIYNW-IBGZPJMESA-N 430.913 4.558 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(Br)c1N 1161580137 FUIBZERAOMJKET-AWEZNQCLSA-N 438.163 4.711 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@]2(C)Cc2ccc(C(C)(C)C)cc2)c1 1171815848 XIAHZJMZCLQRCK-MHZLTWQESA-N 431.580 4.711 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)NCCc2ccc(-c3ccccc3)cc2)c1 1187965661 FQMNBCIEHUOCRQ-UHFFFAOYSA-N 441.350 4.509 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(COC)ccc1OC)c1ccc(C(F)(F)F)cc1 1188469237 HMKWQMVHFILASM-SFHVURJKSA-N 443.487 4.846 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)[C@@H](c3ccc(Cl)cc3)c3cnccn3)cc21 1220204191 DUNRWIJLSIVGPD-QFIPXVFZSA-N 432.915 4.919 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)c1ccc(F)c(F)c1 1220879410 AZMYGITYCIGBRM-NXMSCROESA-N 443.538 4.691 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOC)CCC1 1286283382 RNLWTZFQTRMUQK-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](N2CCCC2)C1 1286318820 WGEFCHAZPWGIKP-ZEQRLZLVSA-N 449.643 4.903 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1c(C)noc1C 1286341773 IOUQXIMKMPCDKM-QGZVFWFLSA-N 427.936 4.726 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(OC)CCC(C)CC1 1286440736 JTSHXSUTSBPRAK-UHFFFAOYSA-N 430.980 4.662 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1286607906 LQLCSWHZKIILRM-QFIPXVFZSA-N 439.648 4.560 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1286647700 KTCZZRYBAWWYOZ-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1286649080 IVEPPQNCMFORMB-CPJSRVTESA-N 441.595 4.663 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1286657040 YZNOWOROVRNUGI-XLIONFOSSA-N 429.996 4.991 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1)c1ccccc1 1286679084 JYNJWWJVIMUTDV-PKTZIBPZSA-N 431.584 4.889 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1286689351 MWOQEDRELJICIJ-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](Cc2ccccc2)C1 1286708219 QUNDVPVINGZTKR-HXUWFJFHSA-N 437.975 4.655 30 10 IJEE COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(F)cc(C#N)c2)c1 1287796033 FGHMSBCORNAKMR-UHFFFAOYSA-N 442.450 4.820 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H]2CCCCO2)C1 1288974477 FWDKJIQYRIUJIW-HTAPYJJXSA-N 431.943 4.827 30 10 IJEE N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cc1O 1291814030 BJDUQIICIXNIOI-FQEVSTJZSA-N 425.257 4.685 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1nccs1 1300344692 HKIUCAWGHAVAMB-UHFFFAOYSA-N 448.365 4.743 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccsc1 1300516390 MYYDUDGQJRPXKV-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1300635060 BJCKZVXLDBIIEH-NRFANRHFSA-N 445.007 4.526 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CC[C@@H](F)C1 1300650706 XEYJIYVLZZYTAN-GHTZIAJQSA-N 426.536 4.848 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCOCC1CC1 1300786540 GMGLQNKGZGGQAT-MHECFPHRSA-N 442.991 4.880 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1300979770 GLWKFUKSDJDWKV-FCHUYYIVSA-N 438.616 4.698 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC(F)(F)CC1 1300981144 ZOTDMOBJUQUNFF-UHFFFAOYSA-N 447.349 4.597 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1300997319 UCXKRPUUKPOBQP-XMMPIXPASA-N 438.616 4.744 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCOCC(C)C)CC1 1301112293 PQDREUIZGMLQLZ-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccc(C)s1 1301141923 SKSILINOQXEXDZ-UHFFFAOYSA-N 448.600 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccs1 1301159780 GERYZVURKVBHSB-UHFFFAOYSA-N 429.615 4.570 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1301176248 UHQJEBDOPQEXOL-SIKLNZKXSA-N 444.023 4.502 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1Cc2ccccc2[C@H]1C)C(C)C 1301366978 JJMDHROEAVJRRF-NMVJMZGASA-N 449.643 4.952 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@@H](C)C1 1301415698 ZYXCEFKFZVTKAL-RBUKOAKNSA-N 444.645 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1301542203 LELNHDMPGMDSNZ-NYUBLWNDSA-N 430.980 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCC(F)(F)CC2)C1 1301564975 BPNUUOTXOOIXGD-OAQYLSRUSA-N 446.542 4.772 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1307281359 PSESZAMFFJDEBX-PCCBWWKXSA-N 448.677 4.589 30 10 IJEE C#Cc1cncc(C(=O)N2C[C@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)c1 1352314725 PNNDMZURANQTMF-JOCHJYFZSA-N 442.500 4.898 30 10 IJEE C=CCC[C@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)c1ccccc1 1354283891 RNOXHFLBSQUJSH-IBGZPJMESA-N 429.358 4.904 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCc1nc(C(C)(C)C)cs1 1358972237 YOQLTQUIFWIOTI-UHFFFAOYSA-N 438.000 4.668 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)C(C)C 1358982627 DLIYVZKQJDPSAV-UHFFFAOYSA-N 433.383 4.919 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC[C@@H]1OC 1359001795 DEGFRDSFHPRXAY-UXHICEINSA-N 435.597 4.652 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(C#N)CC1 1359096050 WCVIOYGMTZUSKW-UZLBHIALSA-N 443.954 4.849 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(F)(F)F 1359104876 GYQSSNATMNGGFD-BSDSXHPESA-N 444.542 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCc2ccccc21 1359107449 MKWFTCGGARXFIQ-BKMJKUGQSA-N 438.616 4.841 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CC2)CC1 1359178133 JTXZDCHXGZUCNP-IBGZPJMESA-N 429.609 4.595 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)CN(C)C)CC1 1359181657 CDMUVDVUIWQAIE-UHFFFAOYSA-N 432.012 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)C[C@H]1CC 1359188051 FMTLMRLZFLJXPZ-PZJWPPBQSA-N 437.636 4.679 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1359195366 LHQQPPCWDNDDHQ-PMACEKPBSA-N 437.613 4.797 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C(F)(F)F 1359196630 NMKOKPZHCLCUSH-UHFFFAOYSA-N 432.494 4.928 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1359204509 RTJSPNARGWLUSS-UHFFFAOYSA-N 438.620 4.782 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)COC)C1CC1 1359248120 AZUREKNABMHACJ-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1Cc1ncnn1C(C)(C)C 1359255096 NWUQBVGUYCZHGB-UHFFFAOYSA-N 449.603 4.532 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1Cc1ccc(-c2ccsc2)nc1 1359279845 VGNZZQQEJMYXNS-UHFFFAOYSA-N 431.565 4.756 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCOC2(CCCC2)C1 1359336934 GDIOITBQATXKBR-OAQYLSRUSA-N 426.630 4.889 30 10 IJEE Cn1c(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nc2cccc(Cl)c21 1435939492 FHLVQYDITNMIBZ-UHFFFAOYSA-N 434.858 4.960 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(COc2ccccc2Br)cc1 1436070556 BDWPJCWOWPWRRQ-WIYYLYMNSA-N 430.342 4.739 30 10 IJEE C=CCC1(NC(=O)c2csc(I)c2Br)CCCC1 1437729372 NJAAAOAJQJBRFS-UHFFFAOYSA-N 440.144 4.734 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2cccc(Cl)c2)CC1 1448825215 YIXQPYVQACAYJK-GOSISDBHSA-N 425.356 4.992 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNCc2cn(-c3cccc(Br)c3)nc2C)c1 1461217256 CRDVWQOZFNZGNS-NRFANRHFSA-N 439.357 4.914 30 10 IJEE C#CCN(Cc1cc(-n2ccnc2)cs1)[C@@H]1CCOc2ccc(Br)cc21 1461985906 AZNOAFDLDRBHAM-LJQANCHMSA-N 428.355 4.655 30 10 IJEE Cc1cc(Oc2cc(Cl)ccc2CNS(=O)(=O)c2ccc(C#N)cc2)ccc1F 1475627983 GGWKDXPZXCAGMY-UHFFFAOYSA-N 430.888 4.930 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(Cl)cc1F 1478483107 XFBKNGKYUUIKAB-KDOFPFPSSA-N 439.840 4.750 30 10 IJEE Cc1ccccc1[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1CCC(C)CC1 1478914586 HUWPFFUWILRULM-BPOAOHNVSA-N 431.584 4.661 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)Cc4cccc(C#N)c4)n3C[C@H](C)N(C)C)cc2C1 1493491778 FKWAPYNWPDFURO-ROUUACIJSA-N 448.640 4.590 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)CC[C@H]1C 1493919374 BZDXTDSZPRTJEX-OPYAIIAOSA-N 434.613 4.663 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1507828054 QIKSQENVKLJAGC-FPOVZHCZSA-N 437.588 4.665 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCC(CC(=O)N2CCCC2)CC1)c1ccccc1 1507853140 AMCNEOCTVOOYBD-HXUWFJFHSA-N 435.616 4.734 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C(C)C)N2CCCC2)CC1 1507880781 MMUTTXLGYBXZPX-OAQYLSRUSA-N 444.023 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1507913575 ZZCYHSOHVOFSJS-NRFANRHFSA-N 430.600 4.653 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CCC(N)=O)CC1 1507926241 QOPNRXWRYDGEIH-UHFFFAOYSA-N 433.959 4.576 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(Cc1ccccc1)C1CC1 1508060606 BABFLRTYAJUECW-HXUWFJFHSA-N 437.588 4.748 30 10 IJEE C=CCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508066889 YKJOFOKXUSDYQV-FGTMMUONSA-N 429.590 4.638 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCCC[C@H]2C)C1 1508118412 VKKOYIOSEBKZOV-QPPBQGQZSA-N 437.632 4.553 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2ccsc2)C1 1508132527 VSGQDRGAXQXQGM-JOCHJYFZSA-N 438.597 4.559 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(CC)(CC)c2ccc(Cl)cc2)cc1 1515902025 LLSMWPIDEFHWPW-UHFFFAOYSA-N 434.989 4.843 30 10 IJEE COc1ccc(CCn2c(C(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc1Br 1518221109 DHLISLYDONWHHK-NRFANRHFSA-N 446.393 4.545 30 10 IJEE C=CCc1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc(OC)c1OC 1523890754 GCIPXVXWKJTUOC-HXUWFJFHSA-N 428.598 4.697 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2ncccc2C)cc1 1525056941 YBJKPXVCXWSUAO-UHFFFAOYSA-N 433.460 4.925 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)C1 1529683341 DYEMJAKJAGKXFF-SFHVURJKSA-N 439.353 4.506 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 1538239957 FCIPURBWAQFYPI-UHFFFAOYSA-N 429.455 4.721 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1csc(CC)n1 1538982534 FXEPDOOYRQKRSN-HUUCEWRRSA-N 425.627 4.657 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 1539034153 BSZNOKATQMTUAM-UHFFFAOYSA-N 434.989 4.635 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](OC)C1 1539052570 GFOROOUUCKTMIL-QUCCMNQESA-N 430.980 4.717 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1539325314 GRTSYYICSXNVSR-UHFFFAOYSA-N 445.611 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](c3nc(CC)cs3)C2)nnc1C(C)(C)C 1539639801 BJSJWZDVXQUURO-HBFSDRIKSA-N 443.661 4.960 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](OC)C(C)C)CC1 1539836606 VJGVNQXKKZYHQN-LJQANCHMSA-N 433.394 4.843 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1C(C)C 1540029565 VARPKVCTKHVROJ-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H](O)C1 1540120617 UIAUANZPWXIBGL-RTWAWAEBSA-N 436.556 4.599 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)cc1C 1540142468 LFQPYFTXVRUEOU-UHFFFAOYSA-N 436.560 4.623 30 10 IJEE Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1S(=O)(=O)Nc1cccc(Cl)c1 1540354020 AREISJCBTGPLGX-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE C=C[C@H](C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1540851912 GBKYRRNRSLBZSP-QHCPKHFHSA-N 445.529 4.694 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C(C)C)C1CCCC1 1541546221 FOFVKOIKLDSOSQ-VWLOTQADSA-N 439.604 4.541 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C#N)cc1)N(C)C 1545807311 GCJWOFLHGUTELP-JOCHJYFZSA-N 434.588 4.721 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@@H](C)CC#N)o1 1546937303 ACGIVVFCTPWELP-KRWDZBQOSA-N 443.555 4.837 30 10 IJEE C/C(=C\C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)c1ccccc1OC(F)F 1556454125 SRYYMKAKRJRRSL-MQMQVCBVSA-N 445.897 4.754 30 10 IJEE C#C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccc(Br)cc1 1556782014 UJROKMABDJCWIS-IBGZPJMESA-N 431.289 4.548 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1559307563 LCYAHZPSTCLNOV-CLCXKQKWSA-N 447.670 4.800 30 10 IJEE C=CC[C@@H](CO)NC(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1562362624 SGOUKDLCZRXHKU-ZDUSSCGKSA-N 425.710 4.953 30 10 IJEE C#CC[C@]1(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCCN1C(=O)OC(C)(C)C 1585662669 FECSOVDPFPRLDX-JOCHJYFZSA-N 437.367 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1587679298 ZRWPSTUIDUAEHQ-UNMCSNQZSA-N 449.624 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)Oc1cccc(F)c1 1589669170 NARBQXJSXRZUGF-LJQANCHMSA-N 448.546 4.526 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCc2nc(C)no2)CC1 1594064844 UFUPBQJJBUXIIU-UHFFFAOYSA-N 433.343 4.733 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1595343205 GPONPVAGOHQUAV-CVEARBPZSA-N 440.370 4.699 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2CCCCO2)C1 1595681824 VBUMRGOIDYBEAX-SFTDATJTSA-N 430.980 4.729 30 10 IJEE C#CCN(CC(=O)Nc1nc(C)c(Cc2ccccc2Cl)s1)C(=O)OC(C)(C)C 1596725208 IMRSFZBBZDLBIP-UHFFFAOYSA-N 433.961 4.505 30 10 IJEE C#C[C@H](NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1)c1ccc(Br)cc1 1596984672 FBJULTFJLSEQAR-KRWDZBQOSA-N 425.248 4.638 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2cc(OC)ccc2Cl)no1)c1ccc(Br)cc1 1596985020 KMWNXENEHVSBQU-QGZVFWFLSA-N 445.700 4.870 30 10 IJEE CCC(CC)(Cn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)NC(=O)OC(C)(C)C 1613492606 HTLPKJOQVRAXPX-UHFFFAOYSA-N 444.624 4.759 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]2c2cccc3c2OCCO3)ccc1Cl 1615405276 AYIFTBBZMDEWSR-NRFANRHFSA-N 439.943 4.503 30 10 IJEE C#CCONC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)C[C@@H](C)C2 1629149971 LSWGRNLPPXJHMQ-GMQRBVGNSA-N 425.532 4.718 30 10 IJEE C=CCC[C@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)C(=O)OCC 1636820776 AOJMYIGBURWNOX-CPJSRVTESA-N 436.577 4.811 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 1639938879 KCRCQFAWRLOFCX-GFCCVEGCSA-N 433.814 4.821 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1OC 1640147689 IOGHJMZTCLVVGD-KRWDZBQOSA-N 435.351 4.966 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(Cl)c2)nc2sc3c(c2c1=O)CCC3 1643465069 WJEOGOOZTUNDSY-KRWDZBQOSA-N 446.981 4.793 30 10 IJEE C#CCC1(C(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)CCCCC1 1650886847 QXPUYEWXJPJBAP-OAQYLSRUSA-N 428.617 4.988 30 10 IJEE Cc1ccccc1-n1nc(C)c(CN(C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1C 1652346943 DYXGUNABAKGTQA-NRFANRHFSA-N 447.558 4.704 30 10 IJEE CCCN(CCN1CCCCCC1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1653761159 FKCCIRYMUKTMLI-IBGZPJMESA-N 430.662 4.804 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 1657182798 DVKHLYHXPBRJJO-IIBYNOLFSA-N 439.369 4.833 30 10 IJEE C#CCOc1ccc(NC(=O)N2Cc3cc(Br)ccc3OC3(CCC3)C2)cc1 1667082643 DVPJIWSSOBMORF-UHFFFAOYSA-N 441.325 4.810 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cc(OC)c1OC 1669160298 KPQBMJNUMYETKM-UHFFFAOYSA-N 448.523 4.990 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 1674364692 WEAIBYCTCBNZKP-GIVPXCGWSA-N 435.572 4.686 30 10 IJEE C#CCN1CCC(NC(=O)NCc2ccc(Cl)cc2Oc2ccc(Cl)c(C)c2)CC1 1675594247 AAKSNWRJHHKPIY-UHFFFAOYSA-N 446.378 4.991 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)c(Cl)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1677046430 IBXOYEHPVGBALZ-UHFFFAOYSA-N 444.334 4.999 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1685062159 FFKSCPFHTGQING-QFIPXVFZSA-N 428.598 4.780 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C)CCOCC1 1689859120 WORIGLPWMOCEIK-IBGZPJMESA-N 445.007 4.526 30 10 IJEE C#CCCCCn1c(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)nnc1C(C)(C)C 1689906564 NZASHFAREVEHNN-SFHVURJKSA-N 429.559 4.541 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCOC1CCCCCC1 1690074010 OPCRYUDKGIKFJM-UHFFFAOYSA-N 433.556 4.799 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1ccncc1Cl 1690092453 JCTICVLSEJHTJI-UHFFFAOYSA-N 437.950 4.886 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cl)=C(Cl)C1 1690223294 LNICCBGRPOJIHB-UHFFFAOYSA-N 449.567 4.801 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1690251171 QBIOGNZYODURMV-SIKLNZKXSA-N 446.517 4.743 30 10 IJEE C=C(Cn1c(N2CCN(CCc3cccs3)CC2)nnc1C(C)(C)C)c1ccccc1 1690325661 DVZDAQSDAOYSCC-UHFFFAOYSA-N 435.641 4.715 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCSCC(F)(F)F)CC1 1690382484 QDMYAKSDCXPREU-UHFFFAOYSA-N 426.508 4.617 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C)CC1 1690499789 AEYMHGHCWOZWPG-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc2c(n1)CCCC2 1690516234 CCCZTBWCVZVWQP-UHFFFAOYSA-N 438.373 4.652 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCC[C@H]1C)C1CC1 1690538872 QRPOYBHDCHJKMO-SJORKVTESA-N 426.561 4.562 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1690655337 PJFOPJDWHSXNNR-YZGWKJHDSA-N 448.970 4.753 30 10 IJEE C[C@H]1CC(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)C[C@H](C)O1 1693579311 GVFAOJYLBZIVFW-IRXDYDNUSA-N 427.980 4.932 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1705511579 YDHZFLBKPVXABR-FQEVSTJZSA-N 442.007 4.535 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1705524924 VDHVCKHILCTVBB-PWRODBHTSA-N 440.563 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1Cc1sccc1C 1705590952 AQGQCJJPHDVWSG-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(CC)CCOCC1 1705616422 HPTQTGRETOSUQV-UHFFFAOYSA-N 438.616 4.955 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(COC)CC1 1705696338 GBARXTRZTZEJPB-SMIHKQSGSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1705707416 KWBIYXMDDAKYGA-NSISKUIASA-N 434.943 4.540 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1705762811 IZJSRPSKMKPSRH-NHCUHLMSSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCc2cccc(C)n2)CC1 1705770362 BMDQAWUQKLYBGZ-UHFFFAOYSA-N 431.584 4.565 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2cccc(F)c2)CC1 1705770737 SBJCXXAYUMHURY-UHFFFAOYSA-N 425.577 4.907 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)[C@H](C)CCC)CC1 1705777887 SLDSYNVIVFQQMZ-MRXNPFEDSA-N 447.986 4.692 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CCC(F)(F)CC2)C1 1705808617 SKFLWMUDIYZNQW-UHFFFAOYSA-N 432.563 4.902 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC1CCCC1 1705843139 YKWYXUMLOYAJKI-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CC(=O)N(C)C1CCCCC1 1705865204 SMFAJNTTXMKYTP-UHFFFAOYSA-N 441.595 4.599 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)cc1 1705868733 ZFLPYGHFGJMBSY-UHFFFAOYSA-N 432.597 4.751 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO[C@H]1C(C)C 1705882372 VEJKLAQTFWIKNB-OFNKIYASSA-N 438.572 4.781 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN2CCCC2)s1 1707484831 DWMIYJFMOOHVHI-UHFFFAOYSA-N 448.640 4.945 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1709068352 FNHZKNHTSPGOIA-VWNXMTODSA-N 433.600 4.847 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)Oc1ccccc1C 1722345921 KEOUSQACYWDVIV-MJGOQNOKSA-N 434.609 4.977 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](OC)C(C)(C)C1 1722520681 FKBHDHVMERCZRF-INIZCTEOSA-N 439.785 4.798 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cccc(F)c2F)CC1 1722575544 MZTILTHUCQOMOX-UHFFFAOYSA-N 429.902 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1722585821 KFQHCBZYFFAJJG-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](COC(C)C)C1 1722587156 DXXCYMHIGXPILV-NRFANRHFSA-N 449.599 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(Cl)s2)nnc1[C@@]1(OCC)CCOC1 1722593219 KGBMIUIZORZMPJ-OAQYLSRUSA-N 439.025 4.884 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCc2ccccc21 1722633607 WGLHSHOLAYIFSO-QGZVFWFLSA-N 440.389 4.788 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(OCC)cc1 1722662850 MSUUJVDWGSTXNA-UHFFFAOYSA-N 433.581 4.985 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1c(C)nn(C)c1C 1722676004 WZNOXROYTUFIOS-UHFFFAOYSA-N 446.624 4.564 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)CCC)C1 1722717131 FACAAOQNVLRNLR-BWKNWUBXSA-N 426.605 4.575 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CC(C)(C)OC(C)(C)C1 1722736056 VIGYRLUKKYNRPT-UHFFFAOYSA-N 437.613 4.806 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCCCC1 1723772175 HQNXVAMAOQFESN-MRXNPFEDSA-N 432.975 4.740 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCC[C@@H]2C)c1 1724248662 AEDJPSSYORYANW-DFIYOIEZSA-N 439.604 4.578 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnc1C 1728442312 AFVYEFVXTOULJP-UHFFFAOYSA-N 431.569 4.500 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCc1ccc(OC)c(OC(F)F)c1 1740731955 MUYVMHZPPONKSZ-XMMPIXPASA-N 446.542 4.712 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)C1CCCC1 1740755925 MLZJGBKSXIGIPK-WZONZLPQSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2)CC1 1740761093 MAIVKZCYZNBHRP-URXFXBBRSA-N 437.632 4.565 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1740783610 NABQAFPJTJPDPB-UHFFFAOYSA-N 442.677 4.663 30 10 IJEE C=C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(F)(F)Br)CC1 1740822504 RYQMDORYVYFGKK-UHFFFAOYSA-N 436.304 4.581 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2csc(CC)n2)CC1 1740824507 NEFPWFMUKIRXEX-KRWDZBQOSA-N 441.576 4.975 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCC(F)F)CC1 1740835328 LBQSDMBJYHEKAK-UHFFFAOYSA-N 436.572 4.960 30 10 IJEE C=CCCCCn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@]1(OCC)CCOC1 1740866718 LZIKMFWLKVEHMK-KOSHJBKYSA-N 428.552 4.549 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccccc2F)C1 1740871336 ARAJHGZCGQDARY-IBGZPJMESA-N 427.911 4.677 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(CCC)C1 1740929533 XZWVGBUSNCFIDH-GOSISDBHSA-N 444.421 4.618 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccsc2)cc1 1740968044 YYOOCNITOZBNTC-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCCC[C@H](SCC)C2)cc1 1740968351 IEOOOJUZNWGIEA-FCHUYYIVSA-N 442.629 4.855 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](OCC)C1 1741000924 YALHYKPQRKAGQC-IBGZPJMESA-N 439.585 4.525 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 1747492364 BEPJLJVQROBGMJ-QUCCMNQESA-N 427.643 4.682 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F)C1CCCCC1 1747656298 HQBXSVJNQICIDK-UHFFFAOYSA-N 439.507 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCc1cccs1 1748648802 DHWYSRWKOOFYNL-CYBMUJFWSA-N 433.350 4.609 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1COC 1748651994 VMIGWQRHEADSPH-QZTJIDSGSA-N 434.609 4.784 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(-c2ccsc2)nc1 1748898186 FDWXURGESMSHCS-UHFFFAOYSA-N 429.593 4.646 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCC1(F)F 1748913177 QNJGXPGPIRFXNR-MRXNPFEDSA-N 437.332 4.993 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 1748953801 UJAWSOMNQXGOMN-UHFFFAOYSA-N 435.380 4.642 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(OC)cc1OC)CC1CC1 1749189571 LTUCKKAECWQVAC-NRFANRHFSA-N 426.561 4.530 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CC)(CC)C1 1749255634 FJDBDIZEBZNIGB-UHFFFAOYSA-N 434.968 4.740 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2Cl)CC1 1749288013 KFEALNDQLKNHRS-UHFFFAOYSA-N 446.780 4.904 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)c1nccs1 1749402712 QYCNNQALMSHETI-PXNSSMCTSA-N 439.585 4.843 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1N(C)CCCC1(C)C 1749538775 LZLOMMHCKWHUKJ-HSZRJFAPSA-N 430.600 4.653 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2CCC[C@@H]21 1749746307 WMAVCVRCPXLGHO-GUYCJALGSA-N 437.382 4.755 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC2CCCC2)c1 1750381843 HNXISHITBABSQS-LJQANCHMSA-N 433.478 4.555 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1752748776 FYAPLDRESAYHLB-CYFREDJKSA-N 440.661 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760123616 AGTJFKYRTOMHRV-FJIDUMEYSA-N 433.021 4.885 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1760144778 BAWDMXPLWFCDLI-APWZRJJASA-N 431.378 4.545 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(F)(F)F 1760163191 OIBPJDNXKYUZAM-HNNXBMFYSA-N 444.885 4.684 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2=CCCCC2)CC1 1760256966 XTGUCSNJOSLWKX-UHFFFAOYSA-N 430.383 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1760313070 IMLXXUNIMSSURY-QTEQDKRBSA-N 440.563 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(CC)CC(C)C 1760322991 ACIRREOVDYJRCP-QPPBQGQZSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1sccc1C 1760330550 HBQXZXIZWAMIET-UHFFFAOYSA-N 434.407 4.867 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCN(CC)C(=O)OC(C)(C)C 1760455258 LMTANFMXKAVVPL-FQEVSTJZSA-N 427.593 4.699 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@@H]1C 1760477666 HMKINAPDNXDKET-RXVVDRJESA-N 436.556 4.720 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)Cc1cccs1 1760495042 DBQLNLDOKLSVJL-AVRDEDQJSA-N 436.581 4.909 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)cs1 1762774007 BKMIYEUUYOGELV-UHFFFAOYSA-N 434.491 4.815 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCSCC2)CCCCC1 1763669327 FLOJSYHQKAMTLA-NZQKXSOJSA-N 444.693 4.673 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)CC 1766083902 BCFWVEPLLPOMOU-XMMPIXPASA-N 425.577 4.822 30 10 IJEE CCCCCCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1859454213 HLGHOYVJTFEZCF-UHFFFAOYSA-N 436.552 4.624 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccc(Cl)cc1 1859559141 OFFKBSQZYVLBAU-UHFFFAOYSA-N 448.910 4.965 30 10 IJEE C/C(=N\O)c1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 1860472001 JOXRDNQHOHGBGZ-FYHAJLKWSA-N 435.436 4.991 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1 1860596243 NTIVGUIWCHEBIF-AWEZNQCLSA-N 446.334 4.510 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 1862391269 XCTKPWANJVHBIT-GGAORHGYSA-N 437.511 4.926 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862419581 UMQKFNCYXXAKTN-OAQYLSRUSA-N 429.463 4.988 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862444768 GUNNMVBQDVFBTD-IBGZPJMESA-N 441.892 4.591 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OCC)c1 1862447058 HGPNQIWQFCAKRA-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc([N+](=O)[O-])c1 1862459643 MFVRFRDVKDQGMX-IBGZPJMESA-N 448.397 4.781 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c(F)cccc2Cl)ccc1F 1862504829 CZMOWOUNYYEQKI-HXUWFJFHSA-N 449.881 4.930 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc3ccccc23)cc1OC 1862573472 DFGVNLCFDPOXPO-HSZRJFAPSA-N 429.472 4.598 30 10 IJEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccc(O)c1)c1cccc(O)c1 1862590026 ZIMZXOQQQPPSFM-PHDLEGTPSA-N 445.515 4.645 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)cc1 1862625206 ASSKAGWJSLKUNA-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)O)cc1 1862654815 SJKOKRDAHFTBPD-NYHFZMIOSA-N 429.472 4.915 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715725 QVKKMPYCJYVMDP-HSZRJFAPSA-N 433.479 4.720 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 1862828111 XMSFUVPDWXYDSZ-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN2CCc3c(F)cccc3[C@H]2C1 1868095556 GIMUMMFGBRNKMF-GOSISDBHSA-N 446.366 4.919 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CSc1nccn1C 1870224835 QJLCTKBNANSNHO-UHFFFAOYSA-N 439.581 4.607 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN1CC(O)C1 1870340697 TZDKEBPGFIFOBM-UHFFFAOYSA-N 432.992 4.618 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)cc(C)c3C2=O)cc1 1871365161 PTXCGLQSYQFKPK-FMCGGJTJSA-N 443.455 4.797 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N(CC=C)CC=C)n1 1871735940 ZRTBGTRWPIQMFA-UHFFFAOYSA-N 446.477 4.871 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1871856009 JTIPYYXJKYKTAC-XMSQKQJNSA-N 430.570 4.670 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871875307 HOFAOMNDBQMIKM-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871891447 LFLBCCADBCLJQE-RDTXWAMCSA-N 426.991 4.632 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)C1CC1 1872145256 VMYUTHFQYFPTCI-QHCPKHFHSA-N 441.597 4.764 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(F)cc1 1872251909 AUORXDBEOMEMJI-QFIPXVFZSA-N 432.561 4.898 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872252214 JELKFXBMOFIQFB-JOCHJYFZSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)CCCC 1872331532 PSKLCSQDCVNYQL-HSZRJFAPSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872448924 VKCIKNJXYDNQOZ-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE CC[C@H](C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 1872775902 CWJNICRVFRZCSS-DJJJIMSYSA-N 447.491 4.834 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)cc1Cl 1872785984 YGRZRWUACWPORV-KRWDZBQOSA-N 439.924 4.849 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccccc2C)C1=O 1873103325 BIKHFKSPRXRENT-UHFFFAOYSA-N 427.633 4.757 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2ccc(OCCC)cc2)C1=O 1873374693 HOSJJHXJMHDDHR-UHFFFAOYSA-N 434.536 4.888 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1cccc(OC)c1O 1874222827 DWNYXYGZLCDJPU-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2/N=C/c2cccc(OCC)c2)CC1 1874284924 GHXUFLYAZILUHX-MFKUBSTISA-N 443.617 4.600 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 1874371591 HCUXACGXUGBOBS-BUVRLJJBSA-N 448.573 4.998 30 10 IJEE Cc1ccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874411419 RPHFBTMFPLOWOM-YDZHTSKRSA-N 436.562 4.825 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1cccs1 1874422963 NLRMXVBRGMUIJJ-HZHRSRAPSA-N 434.546 4.922 30 10 IJEE CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874442303 YJOIQTODOSZERP-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1/N=C/c1ccc(OCCCC)c(OCC)c1 1874470639 GAWCSUHXGNZMQP-HZHRSRAPSA-N 432.590 4.595 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(C)cc1 1874475071 HXWCRXBGMLGAHQ-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(OCC)cc1 1874475989 CPAMEZNEVWHTDB-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2/N=C/c2cn(C)c3ccccc23)cc1 1874524093 WMKFCBNPXKSMFD-AFUMVMLFSA-N 446.580 4.508 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccccc1O 1874542264 QXKLRYFORAVMEF-YDZHTSKRSA-N 430.961 4.870 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1F 1874582588 VWPZBEWBWHEDSF-ACCUITESSA-N 435.451 4.757 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2cc(OC)ccc2OC)CSc2nnc(C)n21 1874829197 UXCHBQHXDUQAHU-IBGZPJMESA-N 432.590 4.666 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)COc3ccccc3)c(OC)c2)cc1 1875112379 FUUSXDREMMSMCF-NTEUORMPSA-N 448.471 4.593 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C1CCC1 1875147251 ULNLIDNTAPVPML-FNORWQNLSA-N 428.868 4.721 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)c(C)c1C 1875167758 MRFNEQCPOFWJSA-SOFGYWHQSA-N 438.398 4.693 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Br)cc1C#N)Cc1ccccc1 1885610907 PVDDXGWDJXQCGZ-UHFFFAOYSA-N 444.329 4.697 30 10 IJEE O=C(NCC#CCN1CCCCC1)c1cc2ccccc2c2cc(Br)ccc12 1891580310 SIEHKNZYAUUHGQ-UHFFFAOYSA-N 435.365 4.975 30 10 IJEE C#Cc1ccccc1[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1951648728 OXNNPQCAWARBSR-LJQANCHMSA-N 425.484 4.765 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2000547916 KUJTVJGLRNUQPN-KGWSRGFLSA-N 434.541 4.509 30 10 IJEE CC(=O)Oc1ccc([C@@H](n2nc(C3CC3)c(C=NO)c2Br)C(C)(C)C)cc1 2080070576 FDUDZLLKLRBWGK-GOSISDBHSA-N 434.334 4.892 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151267793 VZXNBQVBMFVJML-IQCGEYIDSA-N 446.444 4.613 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(OCCNc2ccc(C#N)cc2Br)CC1 2162413794 GYYBQNNANAQLHP-UHFFFAOYSA-N 438.366 4.585 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181101964 ZSVMNEBSRSSCSM-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3cc(Br)c(C#N)cc3F)C[C@H]2C1 2206331047 VZHKIKLUSDEYGN-NWANDNLSSA-N 438.341 4.589 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2235728127 QFCOXFGVRYZNTP-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CC1(C)OB(c2cscc2C(=O)N(CCC(F)(F)F)Cc2ccccc2)OC1(C)C 2247910363 LRZRDNIFAOQVIT-UHFFFAOYSA-N 439.308 4.642 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(C)c2)C1 2255152917 GMGRLUMBYLXBRL-UHFFFAOYSA-N 443.544 4.587 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)cc1 2267103142 DOIVLBHXEPAATK-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE CN(Cc1ccccc1NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267552871 KDVNYTDOIISTJA-HDICACEKSA-N 444.381 4.864 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2cccc(Br)c2)cs1 2278732069 FFLXRAPRWWSYSD-WBMJQRKESA-N 437.359 4.576 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@@H](O)C#Cc1cccc(Br)c1 2278743726 JMGSIWPYGSAOLT-IRXDYDNUSA-N 442.419 4.587 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@@H](O)C#Cc1cccc(Br)c1 2296216911 OXYYVLBUNLIPNP-ZRNYENFQSA-N 434.374 4.587 30 10 IJEE NCCO[C@@]1(C#Cc2ccc(Br)cc2)CCCC[C@@H]1OCc1ccccc1 2296221182 GPIHRCJDLABGLB-XZOQPEGZSA-N 428.370 4.674 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 2296280980 GIWHIAQHVHZWND-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@H](O)C#Cc2ccc(Br)cc2)C1 2296284667 TUHRPOMBJBXPCJ-PKOBYXMFSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@@H](N)C#Cc1ccc(Br)cc1 2296288560 ILSLFIQELDRHTD-ZRNYENFQSA-N 433.390 4.554 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ccoc1CNC(=O)OC(C)(C)C 2296291658 QYWMCLKPAVITLH-SFHVURJKSA-N 433.346 4.769 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@@H](C)C[C@@H](C)CN1C(=O)OC(C)(C)C 2296299748 YVKWETWBGLPFFY-GJJHYRHESA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296306021 AYDFIHKINUWGNR-FFGOWVMKSA-N 433.390 4.696 30 10 IJEE CCCCCCCCOc1ccc(C=C2SC(=S)N(N3CCOCC3)C2=O)cc1 2296348645 AAXXZXSWBULPDG-UHFFFAOYSA-N 434.627 4.874 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2N=Cc2c[nH]c3cc(Cl)ccc23)c(C)c1 2321789693 KVFSZXLQZSYPJS-UHFFFAOYSA-N 438.944 4.643 30 10 IJEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccncc2)C4)cc1 2321978193 HRGZVMWUZKXAOJ-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)OC2CCC(NC(=O)c3cccc(C#N)c3)CC2)c1 2325873201 PRJAIPDTGXFLSI-UHFFFAOYSA-N 432.520 4.643 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326238727 ZWTPCIDLGMDPIE-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE Cc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1 2330452797 WEAMKUGYCNVJRA-UHFFFAOYSA-N 441.560 4.790 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1 2331051807 NSSVOOHZURNQCQ-UHFFFAOYSA-N 442.467 4.957 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)c1 2331081683 CCOIULUXIPNPSG-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(F)cc1 2331319867 VDVSDVHUVDFXBN-UHFFFAOYSA-N 429.496 4.512 30 10 IJEE CC[C@H](N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511758 GVAQHQSWPUMNRS-YNJKOYDBSA-N 434.433 4.547 30 10 IJEE CCC[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338519449 PZJBFDFSEVXCCM-SFTDATJTSA-N 446.441 4.720 30 10 IJEE CCN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339534819 INLQQYWQEIMNHZ-IBGZPJMESA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339586848 LQQFNNMXCAMIBS-LJQANCHMSA-N 443.397 4.928 30 10 IJEE CC(C)[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2341386612 KWECWINWRRLKRW-IBGZPJMESA-N 446.397 4.997 30 10 IJEE N#Cc1ccc(F)cc1COCc1cc(I)ccc1Br 2367271578 PIJZXPRGXQKBGC-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE COc1cc(C#N)ccc1NCc1ccc(I)c(Br)c1 2377334026 FSMAAQWTEYQMDX-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE CC(C)CCOc1ccc(C(=O)NC(=S)Nc2ccc(C#N)cc2)cc1Br 14645781 CPBLFZORTCYTBB-UHFFFAOYSA-N 446.370 4.872 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)cc1 15904568 JBGVFRKZSHANOS-NTCAYCPXSA-N 439.581 4.713 30 10 IJEE Cc1c(NC(=O)[C@H](C)Oc2ccccc2C#N)cccc1C(=O)N1CCc2sccc2C1 29826589 RAHOKPXVPAPHMW-KRWDZBQOSA-N 445.544 4.533 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(F)cc1)c1cc2ccccc2o1 33380747 SUVYZEHBZDHIEN-QFIPXVFZSA-N 428.419 4.745 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c(OC)c1 33904341 LMFTUCGSCRFBMF-QBHVTHSDSA-N 428.440 4.939 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OCC)c2)cc1 34918799 KGENHGMSAATXCH-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 34955321 QBANJABARZWULN-UKTHLTGXSA-N 448.471 4.836 30 10 IJEE Cc1c(C(=O)C(c2ccccc2)c2ccccc2)c(O)n(Cc2ccccc2)c(=O)c1C#N 38619821 POHCJTSQAPNHOG-UHFFFAOYSA-N 434.495 4.797 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 41358212 INVTUPSGAMMCJN-QRVIBDJDSA-N 430.456 4.777 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)n[nH]1)c1ccccc1 59020512 LLMLGBPGYYSXGZ-JLPGSUDCSA-N 432.912 4.554 30 10 IJEE C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c12 96925852 ASUWAZOSSUJYGM-KHPPLWFESA-N 446.463 4.605 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc2c(c1)OCO2 101189375 HMURTSFUQSZFEA-UHFFFAOYSA-N 444.516 4.744 30 10 IJEE COc1ccc(/C=C2/CC/C(=C/c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC 104375039 FIXSNVIGQYWEGE-VMNXYWKNSA-N 440.492 4.568 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2O)c1 169931739 BAPAUODIFSJVID-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccc(C)c2)cc1 169967322 MXIRPJPGQMKSNE-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)s1 170005849 GMHQVIAAVDLXPG-SFHVURJKSA-N 439.924 4.900 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccncc2)c(C)c1 170025396 DOHMJCPXAZJOHT-XMMPIXPASA-N 442.515 4.794 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2c[nH]c3ccccc23)c1 170077453 LXEJWGPYZATLQJ-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)ccc1Br 170173022 PUVGXDDGZFGSMQ-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccncc2)cc1 170201954 XLTRANUVVDZNEF-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccncc2)cc1C 170204917 PWYDMJZZFBYUMD-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 170235093 VJEOKKXFFZZXRK-QFIPXVFZSA-N 447.874 4.894 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccco1 170284052 RJPRKMUQINBJFT-FQEVSTJZSA-N 437.835 4.753 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1C 170289861 YWAMSCRDNASWQP-QFIPXVFZSA-N 428.444 4.641 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(C)o2)cc1 170300712 OQYQHMGWGHCYEU-OAQYLSRUSA-N 432.432 4.842 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170328643 XPZIQRCJDLLHPQ-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE COC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2C)cc1 170398136 IDKNKUJEBHZWLS-QFIPXVFZSA-N 447.512 4.555 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)o1 170401251 DVMSULXWXPDHJT-KRWDZBQOSA-N 433.338 4.863 30 10 IJEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)cc(C)c2)cc1 170406848 NIEXOPOUMBXGFJ-JOCHJYFZSA-N 431.444 4.605 30 10 IJEE CCCCOc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1OCC 252590621 ATUFXAKMQCSLES-UHFFFAOYSA-N 426.538 4.730 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)[C@@H]2C 439883987 RGWCCGNRUWIGHT-OAHLLOKOSA-N 435.915 4.936 30 10 IJEE N#Cc1ccc(CN(Cc2ccn(-c3ccc(F)cc3)n2)c2ccc3nc(O)[nH]c3c2)cc1 440741224 NDULRVNTBUUXHF-UHFFFAOYSA-N 438.466 4.672 30 10 IJEE COC(=O)[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cc(Cl)cc(Cl)c1 469320040 SGALBICIBXGGPV-OAQYLSRUSA-N 446.334 4.903 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1C 487867305 ADNAWYJQJZLOLW-QHCPKHFHSA-N 447.627 4.809 30 10 IJEE CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1sccc1C#N 504777261 WRIRRSUIHIVZBB-UHFFFAOYSA-N 429.851 4.781 30 10 IJEE C=CCn1c(N2C[C@H](C)O[C@H](c3ccccc3)C2)nnc1C(F)(F)Oc1ccccc1 508998687 NYEYYQTYCIHQQP-PXNSSMCTSA-N 426.467 4.559 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(Sc3ccccc3)C2=O)cc1 526660497 HIQUWCVUVSHKOV-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE Cc1ccc(SC2=C(N3CCc4ccccc43)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526685193 AEBLHFAWHALGET-UHFFFAOYSA-N 437.524 4.807 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(C)o2)cc1 526828814 QBGOPWLSTYWVQI-MYYYXRDXSA-N 446.532 4.731 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1Cl 581445407 AMJIWPMVDMJIDU-XJUOHMSHSA-N 447.897 4.745 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3cccc(OC)c3)C2)c1 586000721 BMZPXFGHVZHFRV-QFIPXVFZSA-N 435.568 4.567 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccc(F)c(F)c3)C2)c1 586025215 IOAZDVGGLJXHGR-FQEVSTJZSA-N 441.522 4.837 30 10 IJEE CCOc1ccc(CCN(CC#N)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 586143144 BDQHOJNVWARUDH-UHFFFAOYSA-N 444.597 4.538 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)NCCNc2cccc3ccccc23)cc1 586663099 FUJSYGUDLBVVHO-UHFFFAOYSA-N 428.536 4.888 30 10 IJEE C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1ccc(C#N)cc1F)OCCO3 609254559 SCRXYQUWVJJGQM-MRXNPFEDSA-N 435.499 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 741871428 BTFNCLBETARYGL-GOSISDBHSA-N 430.961 4.764 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 743999056 LMSPNPSRCAJKNS-DYTRJAOYSA-N 446.572 4.970 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@H]1c1cnc(-c2ccccn2)s1 753386575 CKJIMSKQJGSXBW-NRFANRHFSA-N 448.523 4.821 30 10 IJEE C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)N[C@H](C)c1cc2ccccc2o1 758121272 CVDGLZNIPMQJNK-OLZOCXBDSA-N 430.382 4.746 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1)c1ccccc1 816986420 FMDNNKAIENUOQK-SDUSCBPUSA-N 432.564 4.900 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCC)cc2)SC1=Nc1ccc(Cl)cc1 1084453959 SBNRGOKAJMLYKU-IBGZPJMESA-N 443.956 4.885 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)CCCN1C(=O)OC(C)(C)C 1127499092 YYWLHWKBEVHDJR-QHCPKHFHSA-N 428.508 4.604 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1127890487 FNLNUJWBYAYCOR-VGSWGCGISA-N 427.479 4.595 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(Br)cc(C(=O)OC)c2C)cc(OC)c1OC 1129853504 IEHVWLHLASWMML-UHFFFAOYSA-N 448.313 4.542 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)cc1OC 1136228092 BWZWVTRQJFMDTL-UACNQURRSA-N 434.580 4.964 30 10 IJEE C=CC[C@@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccncc1 1136820501 XDDHURPNYGKWOX-IQGLISFBSA-N 441.531 4.742 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 1141017543 OGAWFLYLGSLAPG-UHFFFAOYSA-N 425.410 4.786 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C 1141378834 IJYQTZVLMUDJTI-OAQYLSRUSA-N 426.944 4.951 30 10 IJEE C[C@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H]1CNC(=O)OC(C)(C)C 1141802846 GDBKLECPUYCKJK-GHTZIAJQSA-N 448.567 4.925 30 10 IJEE C=CCc1cc(CNc2ncnc3cc(F)c(Br)cc23)cc(OC)c1OC 1162308093 NQZUYXLKBBBOLB-UHFFFAOYSA-N 432.293 4.889 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)n2)c1 1162523553 HRCRCXDXUBZSAG-MRXNPFEDSA-N 441.413 4.730 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 1163713266 YBXGTYGTIOAAQF-SFTDATJTSA-N 442.943 4.667 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(F)(F)F 1167379070 LCBYXVSUGATBKJ-YCRPNKLZSA-N 446.469 4.927 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@@H](CC)Oc2ccccc2C(F)(F)F)cc1 1210500322 YEDOYTPDHMYDAG-QGZVFWFLSA-N 427.488 4.960 30 10 IJEE COc1ccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1O 1215111756 DZVRVJJXLKSSEG-UHFFFAOYSA-N 431.492 4.524 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1)c1ccc(F)c(F)c1 1216122429 RXDJWHWVQVXNPQ-LJQANCHMSA-N 430.434 4.777 30 10 IJEE C#CCC1(NC(=O)N[C@H](c2ccc(OC)cc2C)c2ccccc2Cl)CCOCC1 1222318327 WWKPSTBISVCYOZ-JOCHJYFZSA-N 426.944 4.618 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1ccc(Cl)cc1F 1223066812 RRESHHUSUGNUFQ-UXHICEINSA-N 431.298 4.592 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCCC1 1286453408 SHEUXMWVZSZEFF-OAQYLSRUSA-N 446.064 4.804 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1CC(F)(F)C1 1286521025 ZNOCXKBKHKYTJS-HSZRJFAPSA-N 444.526 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cc(Cl)ccc1OC 1286559181 UUUVDDVRCSDVSU-VGSWGCGISA-N 432.996 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1COCCO1 1286569188 GVWGRACVAQXZJJ-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCC[C@H](C)C2)CC1 1286663377 BAQCIQNCYPTHSI-IBGZPJMESA-N 444.023 4.645 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1286688223 VNGZEGBKLZNZED-IBGZPJMESA-N 428.602 4.689 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1286696385 CAJNMJSMOKBMFQ-IBGZPJMESA-N 439.579 4.525 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286719799 RMFZVFYZOITOIP-NQIIRXRSSA-N 439.604 4.775 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC2(CCCCC2)C1)C(C)C 1286750726 GFTKSGUMSNNMLH-HSZRJFAPSA-N 449.647 4.594 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCCCCC2)C1 1286770560 GUJIBGNAXWAFGR-HXUWFJFHSA-N 440.588 4.932 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](COCC)C2)cc1 1286795441 BGZWMJKSAKMNCY-NRFANRHFSA-N 426.605 4.733 30 10 IJEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1287220297 HTZBKMPSXRWCPX-RTBURBONSA-N 446.521 4.893 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1297859669 GEQQZNVVZXVINP-RTWAWAEBSA-N 440.661 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(OC2CCCC2)c1 1300611867 MYUKKKKIHGURJS-UHFFFAOYSA-N 429.568 4.732 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1300634121 UYPPHUSTZUVWDU-SZPZYZBQSA-N 446.643 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCC1=CCc2ccc(OC)cc21 1300921536 QUNBPRDIOXYJPP-UHFFFAOYSA-N 446.599 4.581 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CC=CCC1 1300925576 XXCCQJBAEJKLGB-UHFFFAOYSA-N 432.037 4.888 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1301063981 LYBYGFNXKUUBFY-PMACEKPBSA-N 442.007 4.844 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)c2nccs2)CC1 1301064527 WXUVYFSQOROLFU-GOSISDBHSA-N 436.585 4.564 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2scnc2C)CC1 1301075678 NXCSNGGTQUBNBI-UHFFFAOYSA-N 429.977 4.771 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCc2cccc(C)n2)CC1 1301091462 FHZBYFIZIMJNKH-UHFFFAOYSA-N 431.584 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)CC1 1301153867 GLWAYMNBOYWXCH-UHFFFAOYSA-N 431.575 4.527 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301178417 LASOTWSZGRYDSK-QXAKKESOSA-N 445.405 4.783 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](COC)C1 1301207944 JSTZMXHIGTUVQM-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C)CC1 1301240492 ALEPVIHXYJPZPN-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CCCc1nnc(C)s1 1301351410 SIMRNCYQDAZGIO-UHFFFAOYSA-N 426.565 4.670 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301603547 BOQBTVTYPNQJNQ-LJQANCHMSA-N 428.993 4.593 30 10 IJEE N#Cc1c(NC(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)n[nH]c1C1CC1 1302305806 ADXWKDMIWCOQHC-IBGZPJMESA-N 437.297 4.680 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC[C@@](C#N)(c3ccccn3)C2)cs1 1307991279 XOVSNXFWHORVOF-DEOSSOPVSA-N 431.565 4.589 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1309136253 HYXOBVXQIKVEOL-SNVBAGLBSA-N 437.270 4.793 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)cn2)cc1C 1310133854 DMIUWVYNAMQZFT-UHFFFAOYSA-N 445.498 4.856 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C(C)=O)ccc2Br)cc1 1311139833 OZPUSTNCZHBZNR-UHFFFAOYSA-N 431.290 4.603 30 10 IJEE C=CC(C)(C)CCCNC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 1313239859 PBJALODMEUGWKR-VKAVYKQESA-N 435.977 4.668 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1 1313903413 BUCULKPJJVFDGT-OAQYLSRUSA-N 426.996 4.603 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C1CCN(C(=O)OC)CC1)c1ccc(C)c(C)c1 1352114280 OLJVCJIPKQVELX-UHFFFAOYSA-N 436.552 4.880 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@]1(OC(C)C)CCOC1 1358918029 JAZRWUZMXRMURA-XXBNENTESA-N 428.602 4.525 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1C[C@H](C)O[C@@H](C)C1 1359002559 DTIBPOPFHUJZAU-GJZGRUSLSA-N 449.368 4.510 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1359006822 KCFLQBPTCQULGN-WMZHIEFXSA-N 433.600 4.738 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCCCC1 1359112174 AVEBPGMTVMABDA-XMMPIXPASA-N 437.632 4.609 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(COC)CC1 1359128796 GDPLMLBAQJOUJH-UHFFFAOYSA-N 436.959 4.583 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1359161112 PVPMJTSIVZNWEP-QUCCMNQESA-N 430.499 4.684 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359205742 JBVZJGVAARMESG-UHFFFAOYSA-N 437.632 4.504 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1359247158 UJQYDESMSIPNLX-BZSNNMDCSA-N 430.980 4.899 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 1359248316 IRLSVTAAKCQYAS-QFBILLFUSA-N 445.405 4.722 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1C[C@H](C)O[C@@H](C)C1 1359261597 ONPTYTSHUUGNAT-PMACEKPBSA-N 449.574 4.799 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCN(C(C)C)CC1 1359283422 PLPHWNWGZIPSIZ-LJQANCHMSA-N 432.012 4.795 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1359284633 CACCBOSFGKHFTJ-FQEVSTJZSA-N 435.572 4.790 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2ccccc2)nn1C 1360644173 QJHAAWOMTVHXHY-UHFFFAOYSA-N 428.305 4.817 30 10 IJEE COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 1436226212 BGUIAKADKSPUFX-GCJKJVERSA-N 444.556 4.860 30 10 IJEE C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCc2nc(C#N)ccc21 1437268467 BJWYJDFIBSOPFR-AWEZNQCLSA-N 438.940 4.863 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1ccccc1 1439955210 RUEMMVPHHKZHRD-WJOKGBTCSA-N 435.545 4.927 30 10 IJEE C#CCN(CC)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1442138940 QTAHJWFDGYUAIC-SANMLTNESA-N 438.527 4.748 30 10 IJEE C=CC[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccncc1 1444210497 PKNDXEFLVSILQS-NHCUHLMSSA-N 439.556 4.870 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1ccc(F)c(F)c1 1459179797 BBHZJIDZXMEKEV-LJQANCHMSA-N 432.268 4.960 30 10 IJEE C=CCCC[C@H](NC(=O)COc1ccc(I)cc1)c1ccccc1 1462500196 BIWRBBZIVDIPMS-IBGZPJMESA-N 435.305 4.884 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 1464938579 VHSZGSCOEFTZFP-UHFFFAOYSA-N 432.377 4.995 30 10 IJEE CC(C)(CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1(O)CCCC1 1465516166 DPNITCUDYCDASM-UHFFFAOYSA-N 425.504 4.729 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cn(-c2ccccc2)nc1C(C)C 1465998288 UALVWRAJNVUXKC-UHFFFAOYSA-N 441.535 4.676 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1467931978 ISZMCYDVUIVUEV-QIJUGHKUSA-N 446.588 4.635 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)C(F)F 1468857050 LLXPJZHGOPSCCL-VFNWGFHPSA-N 428.479 4.630 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1 1470664218 ZXXGKLYQYVYWHJ-FCHUYYIVSA-N 431.914 4.771 30 10 IJEE N#Cc1c(NC(=O)CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)sc2c1CCCCC2 1473144095 IFXZIQILDNMULX-IBGZPJMESA-N 447.963 4.693 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3ccccc3)C2(C)C)n(Cc2ccco2)c1C 1473558800 AJHXSFKDLXFYMA-QHCPKHFHSA-N 430.552 4.825 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1478247804 FEOUDEHDFZQJGM-HNNXBMFYSA-N 437.943 4.584 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)c1ccc(F)c(F)c1 1478470645 IQLDDGPKQPIKOZ-XMMPIXPASA-N 427.539 4.932 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C)c1ccc(F)c(F)c1 1478472830 VIYZMXGHCUCNHP-UXHICEINSA-N 432.421 4.683 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@H]2CSCCS2)c1 1504331041 FLVNBBMQCLFKCF-FQEVSTJZSA-N 445.658 4.568 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@](C)(CC)C1 1507559202 YMBBCVFYWHVLOU-MHECFPHRSA-N 426.630 4.940 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@H]1C 1507705645 VJHKSDYEOITXBC-VQIMIIECSA-N 445.405 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCc1nccs1 1507769465 HSYRFOSAXHIDOD-XMMPIXPASA-N 435.597 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)N1CCc2ccccc2C1 1507818193 VGFKKRCORODVPE-XMMPIXPASA-N 444.627 4.888 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCCCCC[C@@H]21 1507849039 UCABQMFPZBZGOW-RTWAWAEBSA-N 440.588 4.617 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1507885472 BZHZKWALCWRYPI-QHCPKHFHSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccco2)C1 1507938024 WZTSECQRVFEWDT-HLAWJBBLSA-N 428.577 4.724 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1Cc1cccs1)C1CC1 1507988489 NHGZRTYEUXPTLB-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC(C)=C(Br)C2)cc1 1508096803 KLXSKTRVHXCWIK-UHFFFAOYSA-N 431.378 4.894 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCSC2)cc1 1508096922 LLEMLKGIICUQIO-GOSISDBHSA-N 441.988 4.548 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(OCCOC)c3ccccc3n2)c1 1520385430 VDAOOPIQTSWDPF-UHFFFAOYSA-N 426.472 4.681 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC2CC2)CC1 1521109565 CPLFFIXNJRNDNR-UHFFFAOYSA-N 434.769 4.901 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2ccc(C)cc2C)c2c1CCC2 1521114553 FFUIHDCTCKRJAJ-UHFFFAOYSA-N 431.584 4.974 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1cccc(OC)c1)c1ccc2c(c1)OCO2 1521284715 YQZOZQKJERWALX-UHFFFAOYSA-N 447.487 4.601 30 10 IJEE O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc(F)c1O 1522539483 FJYQEKKIBQRSSW-UHFFFAOYSA-N 427.272 4.666 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 1527473944 UFRYAOAAKXQTHZ-UHFFFAOYSA-N 425.866 4.568 30 10 IJEE C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1533188217 DTCBKQRGVBHGAT-GOEBONIOSA-N 442.346 4.970 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ncc(Cc2cccc(F)c2)s1 1533438936 DSICJWRAOJQEIS-UHFFFAOYSA-N 446.301 4.525 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1OC 1534887810 IVFKBUBYWHGKRN-BHMZLHOFSA-N 444.934 4.803 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)C(=O)OCC 1535090906 JYOSTWXLHSOHRO-AWEZNQCLSA-N 431.703 4.761 30 10 IJEE COc1cc(CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc(OC)c1 1538050488 FYTORLKLNVNDFA-UHFFFAOYSA-N 436.895 4.994 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)C1CCCCC1 1538974729 YPHFGTCTXAUHKK-SIBVEZHUSA-N 431.584 4.591 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CSCCS1 1538991547 ASYMIOZVTVWLGS-RXVVDRJESA-N 444.670 4.677 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Br)cc1 1539104646 NJYLECWUOYGZBA-UHFFFAOYSA-N 444.764 4.806 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCN(CC(C)C)C1 1539155080 RDQKNHQBODAUAQ-HXUWFJFHSA-N 439.673 4.713 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OCCC 1539160862 CGCCPMMAVRZFDF-UHFFFAOYSA-N 430.339 4.553 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCOC(C)C 1539305704 MEDZAWXEIRHPNP-UHFFFAOYSA-N 433.383 4.920 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1(OCC)CCCC1 1539566320 GEZUJYFNJYLKIO-RUZDIDTESA-N 436.600 4.815 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)C1CCCC1 1539638394 YYCWQIIQDYDSAI-GAJHUEQPSA-N 430.543 4.897 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2sccc2C1 1539723082 NVOKWLLZDZEOFV-KRWDZBQOSA-N 429.590 4.550 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N(C)Cc1csc(Br)c1 1539735129 FWNTUQOMYUCNAC-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCN(CCC)C2)CC1 1539896215 JPEJRPZBLSVCKJ-JOCHJYFZSA-N 437.632 4.554 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1539948447 XLXZWZRIEKOIRP-SFHVURJKSA-N 427.568 4.686 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1539963524 WKVPHFKKMBWIRT-KNQAVFIVSA-N 427.568 4.730 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2nccs2)C1 1539974190 MSCJWHAYABLRGC-FQEVSTJZSA-N 439.585 4.556 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccoc1 1540019744 CZODSCGGIYVLFY-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C)C1CC1 1540098356 AGPDMDZNKBXZPS-FXAWDEMLSA-N 445.405 4.924 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC[C@@H](OC)C(F)(F)F 1540127885 WJDOFIQASSDYMG-LJQANCHMSA-N 431.462 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(SC)CCC2)C1 1540883909 GWOXZNKLEVGDGS-NHCUHLMSSA-N 426.630 4.887 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1540910494 IJCKGUSRAWZQJM-BBRMVZONSA-N 446.926 4.674 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1541404693 FETKWFLOVPOKLA-REWPJTCUSA-N 442.007 4.713 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC(F)(F)C2)c1 1542679733 HHEPVNQAFPHYCX-AVRDEDQJSA-N 429.515 4.731 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1544878251 SAPBNKZLAYKVHF-LJQANCHMSA-N 449.551 4.860 30 10 IJEE CC#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 1557364725 XBPJXAFGOJRROJ-POLXVDLBSA-N 430.935 4.879 30 10 IJEE COc1ccc2c(c1)CN(S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](C1CCCCC1)C2 1561357921 FEBKTCBQMBHAHR-JOCHJYFZSA-N 444.984 4.916 30 10 IJEE CCOc1ccc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)c2cccc(Cl)c2)cc1 1561400273 FTIYWDSFMBCXKE-JOCHJYFZSA-N 426.925 4.678 30 10 IJEE C#C[C@@H](NC(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1)c1ccc(Br)cc1 1564999660 NFNWFVQDGWNBSY-GKVDFNDUSA-N 431.374 4.503 30 10 IJEE C#CCC1(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCCC3)CCOCC1 1584619781 CEPADNRRCBIDDR-UHFFFAOYSA-N 446.378 4.750 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)cc1OC 1586130098 OJYONWCFCAWGAQ-VAHIEPGXSA-N 443.584 4.782 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC(F)(F)C1 1587818094 QODXEVXFGAVOGB-UHFFFAOYSA-N 441.295 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1oc(CC)nc1C 1589150944 OEDJHVRFNHDKPD-RXFWQSSRSA-N 447.583 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCCCC1 1589151157 SQQLLGXKCKSREX-YADARESESA-N 440.563 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)CC(C)(C)C1 1589559453 RPOFACZQDMFDII-LGVFNWMJSA-N 438.616 4.753 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2ccnc2C)CC1 1594127801 FSJISXKWHDAOSM-UHFFFAOYSA-N 434.588 4.516 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C 1594498476 VVWDXDPLWYXFLK-GOSISDBHSA-N 447.624 4.568 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)c1cccc(C2CC2)c1 1595430564 AGSMNTDRVVJHOS-AWEZNQCLSA-N 443.341 4.853 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)CNC(=O)Nc3cccc(Cl)c3)c2)c1 1595998366 BHPDXVUYBSPBPL-UHFFFAOYSA-N 434.883 4.551 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C)C(C)C)nc2cc(-c3ccccc3)sc2c1=O 1613380188 GPJOAQWXYKKYTL-HNNXBMFYSA-N 427.595 4.658 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 1615366396 YVCDGMKXIYGYQJ-LJQANCHMSA-N 439.581 4.934 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(F)c(Br)cc3C)n[nH]2)c1C 1617043285 ZWULVTUAZIMWAJ-UHFFFAOYSA-N 432.297 4.538 30 10 IJEE C#CC[C@@H]1CCCN(CC(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)C1 1618799465 XUKWWIQBMLGDEH-LJQANCHMSA-N 438.593 4.882 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(Br)cc2SC)cc1 1621062861 NYMGYJKRHFQXNG-UHFFFAOYSA-N 441.416 4.590 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(I)c1C)c1ccc(Cl)cc1F 1623632973 RZJAYPPESBWKNT-OAHLLOKOSA-N 442.659 4.888 30 10 IJEE C[C@@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CN1Cc1ccccc1 1630157829 CYMINVNGZHDKDB-NLFFAJNJSA-N 425.532 4.530 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCCC[C@@H]3/C=C\c3ccccc3)ccc2c1=O 1630404368 ULDAYNPUTWJAAG-KXXOPMGUSA-N 445.588 4.969 30 10 IJEE C[C@@]1(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCN(Cc2ccccc2)C1 1632052206 DGWNNVBLFUIJNH-SANMLTNESA-N 444.604 4.998 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 1640482775 CFVALCBPSLWRHI-NRFANRHFSA-N 432.609 4.842 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)CN2CCC(C)CC2)cc1OCC 1651321715 ALXUDOOQTKNNQK-QGZVFWFLSA-N 425.411 4.623 30 10 IJEE C=CCn1c(SCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccccc1OC 1651596592 HFJVXAGZSCUEJO-KRWDZBQOSA-N 444.601 4.879 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C2CC2)cc1OC 1651829229 HCXBGOKNVPNKIA-TZFPEKMQSA-N 449.547 4.826 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccc1OC 1655746321 SIEXFTSHEOHJPP-SFHVURJKSA-N 434.458 4.564 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)C(=O)OC 1656072075 MCNZYNHTOLMUAR-HNNXBMFYSA-N 446.981 4.799 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C 1660340033 JVXKFMHCVPXDHP-UHFFFAOYSA-N 434.366 4.527 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2cccnc2Oc2ccc(OCCC)cc2)c1 1667078256 OIUKJGVLWZVLCM-UHFFFAOYSA-N 431.492 4.996 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C)c1ccccc1 1667298229 ZIIVTUAGKCSKDZ-HXUWFJFHSA-N 429.586 4.901 30 10 IJEE CCOC(=O)C[C@H](NC(=O)Nc1scc(C)c1C#N)c1cccc(Br)c1 1671651233 DLYBYCNWNISOPX-HNNXBMFYSA-N 436.331 4.507 30 10 IJEE C[C@H]1CN(c2ccncc2)CCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1671955030 GOXWOCWURCTFDL-SFHVURJKSA-N 429.549 4.847 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2cccs2)C(CC)CC)cc1 1673393798 SQXBNWZVJUAFFQ-FQEVSTJZSA-N 435.615 4.854 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc1 1677519263 YXWXVPKRNFIMEJ-UHFFFAOYSA-N 447.511 4.815 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@H]2Cc2ccccc2F)cc(OC)c1OC 1677966646 JBGIVZSYXOBHTG-NRFANRHFSA-N 426.532 4.878 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Br)cc1 1679159794 KNWMXXAOCTVTNZ-NDXORKPFSA-N 427.342 4.591 30 10 IJEE COc1ncc(NC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)cc1C#N 1680425756 CXZBWAJQEMFOGN-JXXFODFXSA-N 436.512 4.549 30 10 IJEE C#CC[C@@H]1CCN(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)C1 1685490466 FEDMNMRLZFBLFL-HUUCEWRRSA-N 432.387 4.997 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN1CCCC1 1689827406 DSMGCORAFXJLRR-IRLDBZIGSA-N 437.632 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1690193563 MSTPBKDPFJEFPW-AJGMTHFWSA-N 440.563 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CC)C1 1690242652 AVGFXTMWNIXCTA-HLIPFELVSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC(F)(F)Br 1690260213 CJFBBHANTHOQRK-UHFFFAOYSA-N 436.304 4.883 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1690281262 DOWNQDSPHMMTPX-CRAIPNDOSA-N 431.968 4.524 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2CCO[C@H](C)C2)CC1 1690417187 IEZOOERHLBLUSX-FVTFTPSCSA-N 430.637 4.804 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690456177 YDDDDUCWFCQXCX-FQEVSTJZSA-N 448.571 4.761 30 10 IJEE C=CCCCn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1690493783 SGHMUWGIKXRXHI-SBUREZEXSA-N 434.531 4.761 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1690519723 VJZKXAZPCQFHLN-FQEVSTJZSA-N 439.604 4.777 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1690632895 WNRKKETUUBRAOS-HZPDHXFCSA-N 431.378 4.919 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705514488 YNBMRJAUBIHNMS-PKTZIBPZSA-N 433.600 4.880 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc([C@@H](C)OC)n1 1705577545 KIBIELGUDNGYAZ-GOSISDBHSA-N 447.608 4.528 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H](c3nc(C)c(C)s3)C2)nnc1C(C)(C)C 1705692257 DJERNCRRONFTHD-HNNXBMFYSA-N 438.439 4.942 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1705692871 WDLNHDSHZQBULP-MLGOLLRUSA-N 427.293 4.514 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1Cc2cccc(Br)c2C1 1705693572 ICNHNIINWHSKIV-VQIMIIECSA-N 431.378 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1705716398 JRMCFXUMPTUQQS-NRFANRHFSA-N 439.648 4.538 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1705758678 CUTKRMYNRCWPLF-UHFFFAOYSA-N 447.370 4.813 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1705822365 BRQWGEXGULIYLH-UHFFFAOYSA-N 446.979 4.599 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705826098 NFWLRAHVKUUBHG-KNQAVFIVSA-N 426.605 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCOC1 1705867664 SEAZUBKZBHHRFK-SFHVURJKSA-N 442.560 4.677 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCCC1(C)C 1705869731 CCBWUFNLXGMPJG-MHECFPHRSA-N 428.552 4.677 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1705876659 FRFKWYAMYOCSSB-QFIPXVFZSA-N 446.599 4.735 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](COCC)C1 1722310937 QAZKQADOWXBLDK-SFHVURJKSA-N 445.405 4.764 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC2CCCC2)CC1 1722575462 KLXUUHXMUNWVTQ-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722587356 LLNAXJZWAFXCCU-UHFFFAOYSA-N 443.599 4.841 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)CC(C)(C)C1)c1ccccc1 1722593845 BMXDQRHLLVNKLO-IFMALSPDSA-N 435.616 4.746 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CCC(N)=O)CC1 1722606528 BCVSHNMYXUQMSH-QGZVFWFLSA-N 441.645 4.580 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C2CC2)c1 1722644858 REJRLPKAFAYZDC-NRFANRHFSA-N 437.588 4.898 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@H]1OC 1722678646 ULULVSDOAMCAPG-DNVCBOLYSA-N 439.387 4.706 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740596744 KXGVGOBUVWKGAW-HKBOAZHASA-N 441.620 4.780 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(SCC)c1 1740603030 DFDPFFHMZFYDDA-UHFFFAOYSA-N 447.427 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccccc1Cl)N(C)C 1740729989 PFXOXTZNNIZXFD-WIOPSUGQSA-N 449.002 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)c1ccc(F)cc1 1740770496 UXPJMYGRMHGTGP-IBGZPJMESA-N 429.927 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(COC)CC1 1740851666 AKGSVBAPEXMOOE-UHFFFAOYSA-N 432.996 4.976 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740860371 BNYNAGOCBQBSLB-SFHVURJKSA-N 429.565 4.696 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CCOc1ccc(Cl)cn1 1740914159 AIDUMZSZODUFEF-UHFFFAOYSA-N 436.947 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@H]1C 1740924084 GAYDDFCOUXNXSF-JTJHWIPRSA-N 430.618 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1 1740924433 QTZPOTFPGGBRGQ-UHFFFAOYSA-N 433.512 4.775 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@@H]1C(C)C 1740933644 AKAOTVHZRVCPJR-GXRSIYKFSA-N 430.637 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H](CCC)OC 1749061533 YLDCYKSQTSTECU-IIBYNOLFSA-N 431.378 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](CCOC)C1 1749118119 CSHNHTJLKODUOX-BUZMGHMJSA-N 438.616 4.664 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(N(C)C)CCCC2)CC1 1749286425 KVOPBPZXGISDLB-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1749433452 KNCMTTMYACIYGS-FPOVZHCZSA-N 442.677 4.691 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1749436982 ARLBOJHQBFFEEO-JOCHJYFZSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCCC1 1749540747 AWENONSUHISNEI-RUZDIDTESA-N 442.579 4.841 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1749754281 JFJANRPXGCDHFY-WOJBJXKFSA-N 449.020 4.670 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1750305504 BUUQHDHYKBBWDY-VGSWGCGISA-N 445.658 4.592 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(CC)(CC)SC 1760215271 UMORZQJEBISUOB-UHFFFAOYSA-N 445.032 4.992 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)OCC 1760288560 GIEXAIAVNKNZFC-UQBPGWFLSA-N 440.588 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2nc(C(F)(F)F)cs2)nnc1C(C)(C)C 1760327668 KRGHEOQUVXKSOA-CJNGLKHVSA-N 443.539 4.669 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC(OC(C)C)CC1 1760370220 KLKSQQQRYWJGSZ-UHFFFAOYSA-N 439.785 4.854 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCC(OC)CC2)CC1 1760405373 RARNYQQYDMIAGD-UHFFFAOYSA-N 449.599 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1760407894 TUYAVJIREWLKRY-INIZCTEOSA-N 443.542 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCc2ccccc21 1760415115 ONSRYSSCQRNHDK-HXUWFJFHSA-N 449.624 4.996 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](OCCC)CC1 1760436307 OQIRJVOCPDSWRS-QHCPKHFHSA-N 434.588 4.883 30 10 IJEE C=CCn1c(Cc2ccccc2OC)nnc1N(C)Cc1cc(Br)cs1 1760511124 JJJHBSJSCVRLRM-UHFFFAOYSA-N 433.375 4.524 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CC=C(C(C)(C)C)CC2)cc1 1760530010 OGUKXILHMSIUOL-UHFFFAOYSA-N 430.556 4.531 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1760559161 DGJVZDUZGBDKJX-HTAPYJJXSA-N 429.565 4.606 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N(C)Cc1cc(Br)cs1 1760568081 XIPOJCPVGBKDPD-UHFFFAOYSA-N 427.437 4.610 30 10 IJEE Cc1c(N=Nc2ccc([N+](=O)[O-])cc2Br)c(O)n(C2CCCC2)c(=O)c1C#N 1772740779 HOORRKSEVUZSSO-UHFFFAOYSA-N 446.261 4.935 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2c(C)cccc2C)c(=O)cc1C(=O)O 1857889985 CQZXLJFKHMQXPQ-UHFFFAOYSA-N 428.529 4.541 30 10 IJEE CC(C)(C)c1ccc(/C=C/C(=O)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1860723089 ZNAUCVOYCRMLQB-XNTDXEJSSA-N 437.495 4.981 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCO3)n(Cc2ccccc2Cl)n1 1862365418 MOEBEJVNWRHFFU-UHFFFAOYSA-N 435.911 4.795 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 1862383938 ZDBQBORXLWWLQA-GOSISDBHSA-N 438.282 4.747 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862478433 HDSPCYRMTONNKY-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)c(O)c2)c1 1862489369 VEFYBRFVZZLLCW-NRFANRHFSA-N 435.501 4.555 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cc(Br)ccc1F 1862513439 VZCQEGGRWNRXQK-QGZVFWFLSA-N 436.252 4.634 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862519153 CMLCKOANKWAAIE-QFIPXVFZSA-N 449.503 4.695 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862561084 PXQJLUMPLKLLJR-DEOSSOPVSA-N 437.499 4.837 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2Cl)c1 1862561663 WGHDHLKDHHZRGQ-QFIPXVFZSA-N 448.906 4.580 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862600200 KSEVCVXHWRZGGP-HSZRJFAPSA-N 447.487 4.943 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862614805 FULPOTOATXGYTK-QHCPKHFHSA-N 445.563 4.605 30 10 IJEE Cc1c(C(=O)Nc2c(Br)cc(C#N)cc2Br)cccc1[N+](=O)[O-] 1866044097 XOQDFCXEGOLWQG-UHFFFAOYSA-N 439.063 4.552 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868261837 ACRMMBDQYKHSLE-NRFANRHFSA-N 449.942 4.512 30 10 IJEE CCCCN(C)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccc(Cl)c(Cl)c2)n1 1870034143 CBLANYJUQVQCMY-UHFFFAOYSA-N 443.338 4.934 30 10 IJEE CCc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 1870145111 TYSKKFIWYYWYIN-UHFFFAOYSA-N 437.931 4.769 30 10 IJEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870165139 JCZZFMOYHKGUDR-UHFFFAOYSA-N 447.560 4.932 30 10 IJEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc2c[nH]nc2c1 1870791578 CHLIGUDRZHFRNH-UHFFFAOYSA-N 440.588 4.849 30 10 IJEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870810165 PCVQHZCYQFHIKB-UHFFFAOYSA-N 440.927 4.744 30 10 IJEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2cccc(C(=O)OC(C)C)c2)[nH]1 1871295004 ACXRRECUXHOQGW-UHFFFAOYSA-N 438.576 4.866 30 10 IJEE O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 1871348444 FTUCNQAPVTUTRX-MTJSOVHGSA-N 429.501 4.635 30 10 IJEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871395338 OBERVGTZYURPSI-XXHSQQAKSA-N 431.891 4.719 30 10 IJEE CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871401049 SFKRKJJUCIAXNG-XTBHVRTMSA-N 431.282 4.784 30 10 IJEE CCc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871410824 ICVDKNVWNDMHGC-XYLCRUHJSA-N 428.488 4.975 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871845783 KLKASZTXHBBQOX-QHCPKHFHSA-N 442.581 4.812 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871988542 MNLZPUUMFJVCLS-JTSKRJEESA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 1872528244 STQYOHRNHPEEPZ-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE Cc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1873296609 FCSPTCDJOVIRRO-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccccn1 1874196486 MLOQBNKNVWDMLM-MFKUBSTISA-N 439.585 4.943 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(C)c1 1874218762 CBRSKVDZZJSOAK-MFKUBSTISA-N 436.581 4.939 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccccc1OC 1874235510 MPXRRPRBFSENAM-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874279125 VKBXLMUDOUUERN-ZMOGYAJESA-N 440.956 4.965 30 10 IJEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(O)c(OCC)c1 1874346360 LGCGZFRVNPDPQM-BUVRLJJBSA-N 438.553 4.554 30 10 IJEE COC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874371107 JFAKOOUKRPQEGM-OEAKJJBVSA-N 442.610 4.570 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2/N=C/c2sccc2C)cc1 1874390219 BBAFTFNJLPOJNY-FSJBWODESA-N 442.610 4.721 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(OCCC)c1 1874457995 RXJQHIUSRMPQKU-HZHRSRAPSA-N 430.574 4.652 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2c[nH]c3ccccc23)o1 1874481979 SOJZOBNDAIPVAK-WYMPLXKRSA-N 437.525 4.611 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)C)nnc1SCC(=O)Nc1ccc(F)cc1 1874487994 UYUICLJZYQRJRX-SSDVNMTOSA-N 431.562 4.599 30 10 IJEE C=CCSc1nnc(C)n1/N=C/c1cc(Br)c(OCCCC)c(OC)c1 1874533276 ALTVTQBMTLOXJW-UDWIEESQSA-N 439.379 4.697 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2-c2ccccc2)c1OCc1ccccc1F 1874558909 HTTZYOZELKKQMA-AFUMVMLFSA-N 434.496 4.843 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)OCC(C)C)c1 1874572484 PFEXXFZZODSNNU-CMDGGOBGSA-N 432.900 4.831 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1OCCO 1874601288 BYKQBYYRQLOZCV-MDWZMJQESA-N 433.460 4.928 30 10 IJEE CCOc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c1 1874705899 FZDISYGYOCVNLW-PKNBQFBNSA-N 430.456 4.972 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875112530 CGUDMXJIPKOUOD-HSSRVXSRSA-N 430.884 4.728 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccnc1 1875117277 MLTCXUJZOPJSBU-VQHVLOKHSA-N 438.277 4.968 30 10 IJEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875147037 OGZACPFNSZQAHY-XYOKQWHBSA-N 444.483 4.955 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCOc1ccccc1 1875152958 WEYJVFSAOSIHCA-JXMROGBWSA-N 446.455 4.695 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)ccc1OC(=O)COCCOC 1875154391 BSHBJKKKTAJGDB-ACCUITESSA-N 434.488 4.703 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)cc2)c(OC)c1 1875178854 GAVSCSMXXQGVDH-XNTDXEJSSA-N 432.472 4.757 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1)c1ccc(C(F)(F)F)cn1 1890822435 MKFIOBRNJJFGAN-UHFFFAOYSA-N 442.485 4.644 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)cc1Cl 1892136935 IXRQGKUBARMXBH-LEWJYISDSA-N 427.957 4.552 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(I)c1 1900421055 IAQIPOUBBJXZPS-CQSZACIVSA-N 449.716 4.526 30 10 IJEE CCCCC#CCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1903042240 ALUWMLVBOKZLCS-QHCPKHFHSA-N 437.561 4.905 30 10 IJEE N#CCc1cccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1963536328 UDMPTIMMCCJBOC-UHFFFAOYSA-N 437.499 4.762 30 10 IJEE CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)NCB2OC(C)(C)C(C)(C)O2)cc1Cl 1985103264 SEOXGPKZNBCLQE-UHFFFAOYSA-N 445.152 4.702 30 10 IJEE CC[C@H](c1ccc(OC)c(C)c1)n1nc(C2CCC2)c(C#N)c1I 2079972138 QOWXGPMGPNJCKQ-MRXNPFEDSA-N 435.309 4.943 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(Cc2cccc(C(F)(F)F)c2F)c1Br 2080184757 XSFSMMCZGBHATK-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CO[C@@H](C(F)(F)F)C1 2129108416 ZJBKDRUDVOEGHG-CJNGLKHVSA-N 435.240 4.804 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)cnc2C#N)c2ccccc21 2174711112 VFFSBKDTQYCRRG-OAHLLOKOSA-N 429.318 4.823 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@@H](C(C)(C)C)C1 2174768875 GLWXAFOJDGSRRK-QGZVFWFLSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(Nc2cc(Br)cc(F)c2C#N)C[C@H]2CC[C@H]1C2 2188303466 CBWFEGVXDCVDNP-KQHSUYLTSA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CCN2Cc1ccc(Br)cc1C#N 2197343205 TYLDCODRAATKAL-LAUBAEHRSA-N 434.378 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@H](N)C#Cc2ccccc2Br)C1 2235746182 IHHWXILHVJDVSF-PKOBYXMFSA-N 433.390 4.555 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCN)c1cc(Br)c(Br)o1 2245843514 CITDCJUJCCQVCG-MRXNPFEDSA-N 445.151 4.594 30 10 IJEE O=C(NCCCCC[C@@H](O)C#Cc1cccc(Br)c1)OCc1ccccc1 2253244561 CASMUGZCLHTNLB-OAQYLSRUSA-N 430.342 4.648 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCC(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2261832496 PDVOBYXOKFEZGR-WATLYSKOSA-N 447.572 4.703 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3scc(Br)c3Cl)c2)OC1(C)C 2264616798 RFVKCKBWPMEVNJ-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE CC1(C)OB(c2ccc(F)c(C(=O)N(Cc3ccccc3)CC3CCCC3)c2)OC1(C)C 2266975283 CKRODTBNDCKYDG-UHFFFAOYSA-N 437.364 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2ccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)cc21 2267187045 RZGGHPVZLLPSIB-UHFFFAOYSA-N 442.365 4.939 30 10 IJEE C=CC[C@@]1(COc2nc(Br)ccc2OC)CCCN(C(=O)OC(C)(C)C)C1 2287854610 LVFVSJDEDWXQAE-HXUWFJFHSA-N 441.366 4.825 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCc2cc(Br)ccc2C1 2291121545 QOELOKDQZQOESQ-JOCHJYFZSA-N 431.326 4.551 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2296267309 ROKZOMOXGVJSHE-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC1CC1)NC(=O)OC(C)(C)C 2296295876 IDLVHQUDTAKAHN-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 2296297001 USILXPOZDHJDDU-DFQSSKMNSA-N 433.390 4.638 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 2296297189 WIGGETSGTYBRCN-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE COc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2296871055 DSPKZSBVBPFOHM-UHFFFAOYSA-N 442.876 4.733 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(Cl)cc1 2297746711 ZAHFJAYMRVDUQM-OAQYLSRUSA-N 443.927 4.585 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=CC=Cc2ccccc2)n1 2313601749 LKCQEESKYMWDIY-UHFFFAOYSA-N 438.582 4.759 30 10 IJEE CCC1(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2317349573 FLGXKUBJGUGTHH-OUKQBFOZSA-N 429.370 4.538 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)cc1)c1ccccc1 2320897151 PHBVYTXDHQRUPU-OAHLLOKOSA-N 439.972 4.661 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(OC)c(C)c1 2322413102 ZZOVOEWLNUBHRX-UHFFFAOYSA-N 446.341 4.567 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(OCC)cc2)cc(Cl)cc1OC 2322557040 GXLZTJZATHVXSV-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC(=O)NC1CCCCC1 2323106064 YAPNWSLMPGPMES-UHFFFAOYSA-N 429.463 4.697 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccccc2)cc1OC(=O)c1cccnc1 2325731953 UVHZIOYMTDPCQE-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325735771 BPPUZGVTWNYZJH-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cccc(OC(C)C)c1 2326784177 XUUKMVZWFZKUNQ-UHFFFAOYSA-N 438.553 4.589 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2N=Cc2ccc(C(C)(C)C)cc2)cc1C 2328977698 VNQCDRMXVJUSNV-UHFFFAOYSA-N 436.625 4.944 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(O)cc2O)c1 2329817033 APPGPDADYRWACF-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1 2330133674 FQSNLRFNSISXCZ-QGZVFWFLSA-N 440.544 4.743 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(N(C)C)cc1 2331048428 DODXGAVDLCFQFV-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331071887 WWFZPNDEEFRQJT-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1OC 2331108766 MMYQJQIBSGBJAN-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)c1 2331472831 ZBIAMTRIXBEUBO-IBGZPJMESA-N 435.597 4.637 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(C)C)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2331700371 DSUKWDNRFFTRHM-UHFFFAOYSA-N 425.514 4.807 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339584863 HMFJOPLURKLUGE-KOSVWKSTSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587225 RHRUZJUZIFITGS-GBESFXJTSA-N 442.365 4.503 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)c1 2345725242 VFQMRESPDDRPSU-UHFFFAOYSA-N 443.328 4.635 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2359701611 RJJNSOATISHQGJ-PKICCIJUSA-N 433.390 4.602 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccccc4C)ccc3C2=O)c(OC)c1OC 2108163 XRFHCDHOYVJDTL-LPYMAVHISA-N 446.455 4.856 30 10 IJEE O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc(Br)cc1 13301986 BDVAJADXDUWBQL-LYBHJNIJSA-N 426.701 4.900 30 10 IJEE Cc1ccc(C(=O)C[C@H]2S/C(=N\c3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1 15054971 XDLQOVBCJNRQRV-RXFRQMQLSA-N 432.501 4.815 30 10 IJEE CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@H]1c1ccc(C#N)cc1 32997238 MGVIZAONVUEYOH-QFIPXVFZSA-N 431.521 4.747 30 10 IJEE O=S(=O)(c1ccc(-c2csc(N/N=C/c3cccc(Cl)c3)n2)cc1)N1CCCC1 33790640 AMHMKJRXSDIEMD-LPYMAVHISA-N 446.985 4.694 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1I)c1ccc(Br)cc1 36930744 IXMITZXJPHRBQC-CYBMUJFWSA-N 426.051 4.544 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)o1 102482996 LSSLWGZZRFZJLO-HQMFNGAOSA-N 434.448 4.963 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(O)cc2)c1 169962496 JVYSPUHZFKXILF-QHCPKHFHSA-N 429.472 4.806 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170022711 JHIVULOBGWFFJK-OAQYLSRUSA-N 446.846 4.970 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc2ccccc12 170046052 DHNNGHURDZEUNT-QHCPKHFHSA-N 433.479 4.902 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)s1 170080908 QSKILRJGWMXLKM-FQEVSTJZSA-N 434.517 4.865 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)cc1 170114620 CAKYCKNAIQLPKJ-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(O)cc1 170134082 VWTZYESCPRGJTA-NZQKXSOJSA-N 449.547 4.755 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 170188406 MYBIXSPQHZXBNU-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)o2)c1 170297620 VKWYMBWFRCWIDQ-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302432 SYQBJQVRTUKYKP-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)c1 170308129 IBGOPPOQTVIGDT-OAQYLSRUSA-N 425.481 4.516 30 10 IJEE CCCN1C(=O)C(=NOCC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc21 254568056 WGLSLPQJVCXDGA-UHFFFAOYSA-N 435.549 4.575 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ncccc1Br)NCCC 407815883 NYXHWZHKYIMEFC-WMZOPIPTSA-N 426.399 4.614 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 436440487 XPZVGFQKRYCDJI-XUEUYAKLSA-N 429.545 4.702 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 438506765 GYWCZKJBTXREME-UHFFFAOYSA-N 449.467 4.654 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CC1 443356173 XKNLYEHNQGXMSL-UHFFFAOYSA-N 445.441 4.882 30 10 IJEE C=CCn1c(SCc2cncc(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 460862088 OTRXVNKZZWKQNG-QGZVFWFLSA-N 434.443 4.683 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 476124884 YXZKSXDGVGNXJR-JOCHJYFZSA-N 440.609 4.719 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)nnc1-c1ccco1 482040896 VHTFNEQRVUIJPY-HNNXBMFYSA-N 442.507 4.643 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 482169665 NLCHYNUNDIVWRC-CABCVRRESA-N 429.590 4.737 30 10 IJEE C=CCN(C(=O)c1ccc(COc2ccc(C)cc2C)o1)c1nc(C(=O)OCC)cs1 501965693 ZOAHQMLVPCSEIV-UHFFFAOYSA-N 440.521 4.941 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H](c2ccccc2)O1 549954278 BQMBYQKFWJEHEA-MBSDFSHPSA-N 441.560 4.893 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cc(C#N)ccc1NC1CC1 552245901 YOIMTRTZBLDFOQ-UHFFFAOYSA-N 428.521 4.553 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[S@](=O)C(CC)(CC)C1 555258867 UAJFWKJZKFRLGM-PMERELPUSA-N 440.535 4.668 30 10 IJEE COc1ccc(CCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1OC 609643199 CAMGKJGJCVCRKO-UHFFFAOYSA-N 430.504 4.517 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccccc2)C1 619820202 YIPJLVOTNHUMKB-HXUWFJFHSA-N 442.386 4.947 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727430909 GRIUDLGVDNPXJS-LJQANCHMSA-N 444.004 4.536 30 10 IJEE CCCCCCCCc1nnc(NC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)s1 727587179 WUXCPYWZRSWZKM-UHFFFAOYSA-N 447.605 4.769 30 10 IJEE O=C(/C=C/c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(C(F)(F)F)nc1O 731563014 KMBAMNAYYSUQGQ-XVNBXDOJSA-N 433.338 4.572 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 745229249 ILYAJNSMYQNALB-KMFMINBZSA-N 430.476 4.502 30 10 IJEE CC(=NNc1ccc(C(F)(F)F)cc1)c1cc2c(cc1Br)NC(=O)CO2 767387734 LKYQZUJAYZBUIW-UHFFFAOYSA-N 428.208 4.635 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)COC(=O)c2ccc(Br)c(C)c2F)c1C 789075218 RFPGJUPCCJBKAZ-UHFFFAOYSA-N 447.304 4.617 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(C)(=O)=O)ccc1Br 789720137 UWQDAOIHJHWEAE-UHFFFAOYSA-N 436.371 4.957 30 10 IJEE CN(C)c1ccc([C@@H](CNC(=O)NCC2CCC(C#N)CC2)c2c[nH]c3ccccc23)cc1 799521485 NADIDVAQGSYPRZ-ZSHKSDETSA-N 443.595 4.995 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](CC(C)C)C1 802561542 MEUBVSIKRLRAKL-OAQYLSRUSA-N 425.577 4.543 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C/C(=O)c2cn3c(n2)CCCC3)cs1 806564175 LEDKLOFESOOVPV-JXMROGBWSA-N 426.929 4.910 30 10 IJEE C=CCOc1c(Br)cc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc1OCC 914795489 NXEYBIALKXNZFP-GOSISDBHSA-N 437.721 4.920 30 10 IJEE COc1cccc(C(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)c1 1084575221 LCHQYRQPGMJXEG-UHFFFAOYSA-N 436.324 4.541 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nn(-c3ccccc3C)c3c2CCC3)cc1 1128301988 QMKLJBCXKBWODF-UHFFFAOYSA-N 429.520 4.931 30 10 IJEE C[C@]1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCN(Cc2ccccc2)C1 1128605680 FESNSEQFPRUQCJ-MUUNZHRXSA-N 439.559 4.779 30 10 IJEE C#Cc1ccc([C@H](OC(=O)COc2ccc(Br)cc2F)C(F)(F)F)cc1 1128971241 QIUJDABXYGLXPZ-KRWDZBQOSA-N 431.179 4.795 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1 1129590852 JDJJIYFTRISYRW-UHFFFAOYSA-N 433.302 4.617 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccccc1 1158670174 OPODCKNBPYUZMW-QTEAWJPNSA-N 426.538 4.765 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1167251963 PCEBMWIWYAEEID-AREMUKBSSA-N 445.588 4.575 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(Cl)c(CN2CCOCC2)c1 1202221127 ZLHPCZAIIZQOIT-UHFFFAOYSA-N 449.776 4.559 30 10 IJEE C=CCOc1c(Br)cc(CNC(C)(C)c2cn(C(C)C)nn2)cc1OCC 1202870402 RDBYJFLJVSUQEZ-UHFFFAOYSA-N 437.382 4.610 30 10 IJEE C#CCN(C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCc2ccccc21 1224839771 YCPZFFWBFSLDTE-NVQXNPDNSA-N 439.600 4.746 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1cc(F)ccc1Oc1ccc(Cl)cc1)[C@H]1CCCO1 1226724838 OBQUWOBQCDPCET-RBBKRZOGSA-N 430.907 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 1246370149 JGECJLAKXMAAAZ-SFHVURJKSA-N 432.337 4.565 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1 1254599143 LVJRMIYWPPNYCS-QGZVFWFLSA-N 433.430 4.767 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)O[C@H]2CCc3cc(Br)cnc32)cc1OC 1274606382 LOGYIKCYAGILDZ-ZETNRXDVSA-N 430.298 4.661 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@](C)(CC)O1 1286280604 ARHCXLKVXSCRSV-UTAZYMRLSA-N 448.567 4.923 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC2(CCOCC2)C1 1286335424 SSTPZMKZANZRSS-UHFFFAOYSA-N 436.600 4.674 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286501045 KRXIHVAQLXHXNU-UHFFFAOYSA-N 441.004 4.515 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(C)(C)C 1286535384 IAOBIDLAENCZRI-AWEZNQCLSA-N 425.346 4.948 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(C)cc2)nnc1N1CCSC[C@H]1C 1286546794 FKDPCNJWZIEOTR-OAHLLOKOSA-N 439.448 4.729 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1286679665 SGALMIFWFQJYLQ-QHCPKHFHSA-N 437.632 4.579 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1286685455 UYBCINPFLQWSFT-UHFFFAOYSA-N 435.547 4.878 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Br)o1 1286694835 ZAAJCQURBKXSMC-UHFFFAOYSA-N 426.318 4.775 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1286696006 QCXVOYCTMLKWLS-QGZVFWFLSA-N 441.967 4.850 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1286729454 VIIYYXGJQCDPOR-FNAHDJPLSA-N 431.669 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@@](C)(CC)O1 1286753349 BDSBHVFFLCFVMU-OXQOHEQNSA-N 434.382 4.562 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 1286825268 IGDASBPPSOOGKH-ZIAGYGMSSA-N 439.398 4.858 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cscn1 1286831326 YNQCUNCHVLLJRI-UHFFFAOYSA-N 438.582 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1oc(CC)nc1C 1300513687 ZGTXSHFZHBVCIX-UHFFFAOYSA-N 449.967 4.793 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC1(COC)CCCCC1 1300642621 LOUWQVOAYWXZTE-UHFFFAOYSA-N 447.558 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1300788580 FGXBIHVLAKOXTI-HOOSLVGPSA-N 444.526 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCN1CCCC(C)(C)C1 1300789090 XMKLYSNYZXPHBC-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(C)C)CC1 1300899599 GZEASIOVLYSEMK-UHFFFAOYSA-N 429.996 4.700 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccccc1OC(F)F 1302150597 DBYHXRPBNXKREU-QHCPKHFHSA-N 431.531 4.841 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1306726683 BELDORRVLYNBQA-RDGATRHJSA-N 426.653 4.795 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1c[nH]c2c(Br)cccc12 1309891164 ZSMQUZBCZGATLZ-IBGZPJMESA-N 443.366 4.632 30 10 IJEE C=C[C@H]1CCCCN1C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1310118920 UWRGAQJVDIFLJV-HNNXBMFYSA-N 436.434 4.640 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 1310195363 HBSSQJCGSGPBBW-QUCCMNQESA-N 434.323 4.774 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1310796985 AWXFAQFIIFUMCA-UHFFFAOYSA-N 445.585 4.918 30 10 IJEE Cc1ccc(-n2nc(C)c(Cc3nnc(COc4ccc(C#N)cc4)o3)c2C)cc1Cl 1345613120 IBMBGCWMJIPYND-UHFFFAOYSA-N 433.899 4.875 30 10 IJEE O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc(OC(F)F)cc(OC(F)F)c1 1353418869 GYJSKWQMAOAFKO-UHFFFAOYSA-N 441.299 4.761 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)C1(c2cc(Br)ccc2OC)CC1 1356352069 KTRZEXLOMKEORH-UHFFFAOYSA-N 425.326 4.576 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)c1 1358273893 IIJCXAFGSLEHJH-UHFFFAOYSA-N 443.446 4.808 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1358908945 PBIZVCIURJEORN-UXHICEINSA-N 443.389 4.659 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1358908947 PBIZVCIURJEORN-WOJBJXKFSA-N 443.389 4.659 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOC)CCCC1 1358941944 CQGJMERAJPMGGT-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccs2)CC1 1359117610 JSGFEPPUOKOEEM-FQEVSTJZSA-N 437.613 4.999 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccc(OC(C)C)nc2)CC1 1359168592 AWDLHQRXJUVGJN-UHFFFAOYSA-N 447.583 4.806 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCOCC2(CCC2)C1 1359192012 SWDQQYWNZAUOEY-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCN(CCC)C(=O)C1 1359210343 QQVGBWYJRMDPHH-SFHVURJKSA-N 441.645 4.546 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359210781 HNLKPLDYDGYNJH-NRFANRHFSA-N 444.645 4.612 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1359259738 GLMYDBFIRJCBHI-UWJYYQICSA-N 443.567 4.564 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1359268555 UPIYYZGOPHMJHS-LJQANCHMSA-N 433.522 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCC1(F)F 1359271156 MUIUAJHFJRIWAJ-MRXNPFEDSA-N 440.498 4.598 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359284710 HSFDHGKLSYGLDY-GOSISDBHSA-N 437.544 4.713 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCc1nc(C(C)(C)C)cs1 1360477845 BZTMFEZFGQIUSZ-INIZCTEOSA-N 440.592 4.743 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 1435841965 ALJGJZIZQMREKY-UHFFFAOYSA-N 443.565 4.562 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 1440714453 OEZLRRMSUUIIEK-GOSISDBHSA-N 449.910 4.665 30 10 IJEE N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1C(F)(F)F 1456940732 BYVHAGDAKYQPLS-UHFFFAOYSA-N 439.372 4.945 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(CC)cc2)c2c1CCC2)c1ccc(Br)cc1 1460785287 LVZYPFDLYPAILM-NRFANRHFSA-N 448.364 4.790 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)nnc1-c1ccco1 1461741947 BQRYYUQMQZPISB-UHFFFAOYSA-N 446.895 4.514 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1462957091 XGXMPQBRPNXTBW-UHFFFAOYSA-N 434.819 4.676 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 1463640614 DFEQNWJOZNCBFG-UHFFFAOYSA-N 444.380 4.786 30 10 IJEE C[C@@H]1CCCCN1Cc1ccc(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 1466153646 GISSQUBGPQXDEH-GOSISDBHSA-N 446.530 4.579 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(C(F)(F)F)c(I)c1 1467319951 CXEONXPEEYOTMO-UHFFFAOYSA-N 444.260 4.741 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)c1 1467490024 AAZYKAFPATVURT-NRFANRHFSA-N 440.507 4.732 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 1468641112 YGSBIIVHFXIBQZ-UHFFFAOYSA-N 425.495 4.515 30 10 IJEE CCCOc1ccc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c(OC(F)F)c1 1469242392 DRMTXIACRYRBET-HXUWFJFHSA-N 429.467 4.825 30 10 IJEE Cc1cccc(C)c1OC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 1475076885 DVFQPRNTRJYUFH-NRFANRHFSA-N 440.952 4.927 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 1476482546 CTIHJZIFWAXZJL-INIZCTEOSA-N 435.337 4.680 30 10 IJEE COc1ccccc1CN(CCO)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1476605561 BSDLOWMKJNTBSX-UHFFFAOYSA-N 433.533 4.744 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1507799449 WKYOLIKUFXDMGW-LVBDUCALSA-N 440.588 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1507827027 OUFVKRPCOBLUHE-NRFANRHFSA-N 437.632 4.951 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@@H](C)c1nccs1 1507870374 HRAQBXHENWCTEN-MRXNPFEDSA-N 431.993 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1507911094 HBFAKRDXRZVMCQ-JOCHJYFZSA-N 448.615 4.552 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1507915953 HSWVDGYRRZTJCH-LEWJYISDSA-N 426.609 4.777 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)S[C@H](C)C1 1508150544 DPYLUIQHRCFWQH-ZIAGYGMSSA-N 427.014 4.987 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OC(C)(C)C)C2 1515309745 QFZPTYZXGKBHKB-JOCHJYFZSA-N 436.574 4.759 30 10 IJEE Cc1ccc(-c2ccc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(F)c2)cc1C 1515370982 FOJPLJPLKBBZCY-VWLOTQADSA-N 441.506 4.907 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(I)cc2)cc1 1517876880 CGAXXVSOOHQQON-UHFFFAOYSA-N 435.261 4.553 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc1OC 1519706882 BZQQRMCYCXTKRD-WCLQSUPFSA-N 448.332 4.922 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(-c3c(F)cccc3F)no2)n1 1520486462 HENAUIVQXFJVOH-UHFFFAOYSA-N 425.782 4.583 30 10 IJEE Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1 1523946577 AOBNSZAXEPJKRK-IBGZPJMESA-N 429.904 4.547 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccc(Cl)cc1F 1528524128 VSPDXMWWZKDKMR-IBGZPJMESA-N 435.724 4.946 30 10 IJEE N#Cc1cc(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)ccc1Oc1ccccc1 1529906780 IBRPNXIJHTVIQN-JOCHJYFZSA-N 427.460 4.873 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@]2(C)CC2(C)C)ccc1Cl 1533094751 OXYQWOLYGHSBLC-JOCHJYFZSA-N 432.973 4.640 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC2(CC)CC2)c1 1533669694 BVISWFLSMOIXPZ-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE CCC[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1Cc1ccccc1 1534880540 HZKJDKMIGICWFG-QHCPKHFHSA-N 443.547 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1cnn(C)c1 1538971469 BDKCRRKCTRXLDT-HNNXBMFYSA-N 438.988 4.637 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1 1539140692 AVUJJQCVPOQDFW-XPWALMASSA-N 436.600 4.578 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](CN(C)CCC)C1 1539691131 JRTOAHYTQZQXAG-SFHVURJKSA-N 446.437 4.760 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cc(C)cn2)CC1 1539855930 NDPMIYFGYNOQQJ-UHFFFAOYSA-N 434.588 4.516 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(C)CCC2)CC1 1539856204 UHUJKANRGZDIKP-UHFFFAOYSA-N 431.378 4.966 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1539917404 VBEREFWFHBSMBL-LEWJYISDSA-N 428.552 4.839 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 1539952547 GDOGXNGMKPZCJH-QFIPXVFZSA-N 444.004 4.871 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1540116575 WYLPKGOOGZKLLP-IBGZPJMESA-N 441.595 4.662 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc(Oc2cccc(F)c2)nc1 1540189623 XQQUJTQTGBVMSR-UHFFFAOYSA-N 439.535 4.589 30 10 IJEE CCN(C(=O)c1nnn(-c2ccccc2Br)c1C)c1ccc(C#N)c(Cl)c1 1544757096 IBUBEJHMYGPEIZ-UHFFFAOYSA-N 444.720 4.530 30 10 IJEE CCOc1ncccc1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1548008719 ACBTXTFAJGEJJJ-GJZUVCINSA-N 444.583 4.792 30 10 IJEE COc1ccc(/C=N\N=C2/S/C(=C\c3ccccc3OC)C(=O)N2Cc2ccco2)cc1 1554646030 ANYXNCIZDGYOGM-DOSRWIIRSA-N 447.516 4.803 30 10 IJEE CC[C@H](C)Sc1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)c1 1562290154 FBAYQZMGJSTLIZ-FRQCXROJSA-N 432.590 4.766 30 10 IJEE C#CCOc1ccc(NC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1 1562370039 BUWYCRVBRQWRBU-UHFFFAOYSA-N 432.351 4.792 30 10 IJEE C=CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1)[C@@H](C)COC 1563961834 BHDSEAQPRWBVRK-GHTZIAJQSA-N 433.593 4.608 30 10 IJEE C#CC[C@]1(C(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1569399658 OJVFFTYSLKZNHL-IQMFZBJNSA-N 444.963 4.529 30 10 IJEE C=C(C)CONC(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1583438691 GXJZDNSJAHESGV-UHFFFAOYSA-N 436.552 4.954 30 10 IJEE C=CC1(CC(=O)N(CCCn2ccnc2)c2ccc(Br)cn2)CCCCC1 1585707046 ISIQKBPKLSOEIN-UHFFFAOYSA-N 431.378 4.991 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1OC 1586814750 CUJXKCDWJRRTEG-BENRWUELSA-N 432.545 4.982 30 10 IJEE CCn1c(SCC(=O)N(c2ccccc2C#N)C2CCC2)nnc1-c1cccc(C)c1 1587309811 FBLQWUXLNYSXAF-UHFFFAOYSA-N 431.565 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1587656435 IHJCVBHKCVPUGC-WRALFONMSA-N 433.644 4.769 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1588266115 LSZKFSPYSFDBSO-VQTJNVASSA-N 441.595 4.527 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccccc1C 1589427187 CPMDDCZAIMUXGP-HXUWFJFHSA-N 438.373 4.822 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC(=O)N(C)C 1589608494 IWXWUKOIYOKMQB-UHFFFAOYSA-N 429.634 4.546 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1cccc(OC)c1 1589614754 FPJCJFMFZQCSSG-QGZVFWFLSA-N 441.963 4.872 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(OC)CCC(C)CC2)CC1 1594128190 NLZRTYMLFXPROF-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN(C(C)C)C(C)C)CC1 1594201854 AUFZBARCXFDKNX-UHFFFAOYSA-N 425.621 4.865 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCCCCC2)CC1 1594225783 DOCKGIFVHVBBSW-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1594236507 DLKVUHYVSQDNKU-RTWAWAEBSA-N 445.558 4.503 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)c1ccccc1 1594552145 IBCIPVCNHVUXGB-RPWUZVMVSA-N 448.615 4.829 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1594687036 CDXGKWDISRGHHX-SFHVURJKSA-N 429.996 4.553 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCC[C@@H](C)C1 1594896303 VMANUJNHLRTEAB-OTWHNJEPSA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)[C@@H](C)CC 1595093116 AIZIZXHVAKVKTF-AFMDSPMNSA-N 444.583 4.510 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2csc(-c3ccco3)n2)cc1 1613758913 DNWRCNVWMYODMA-INIZCTEOSA-N 432.553 4.868 30 10 IJEE COc1ccc([C@H]2/C(=C(O)\C=C\c3ccccc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 1615019727 NDBNRVXRKGIGMS-KBUPGINTSA-N 441.483 4.886 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 1618045742 XDZOZMIJWMDBRT-LMSSTIIKSA-N 440.587 4.968 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 1622984798 AXUBPEMALRPMFN-UHFFFAOYSA-N 437.393 4.958 30 10 IJEE C#CCCCCC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 1623620630 LMRAXLVDIASUKZ-OAQYLSRUSA-N 428.532 4.971 30 10 IJEE Cc1c(C(=O)N(CCN2CCOCC2)c2ccccc2Cl)sc2ccc(C#N)cc12 1624395844 FGDRTUWOECNWMG-UHFFFAOYSA-N 439.968 4.714 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1628408197 BVRSUEIAZQLENF-UHFFFAOYSA-N 439.364 4.917 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 1631877548 ICRHHJHRSSNDBE-FCHUYYIVSA-N 442.604 4.768 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1F 1635778906 JLVOEGPCWWSSRM-ZDUSSCGKSA-N 425.715 4.785 30 10 IJEE N#Cc1cnc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c(Cl)c1 1638132843 HEZTYFVCFYQIKF-UHFFFAOYSA-N 430.939 4.799 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1640487705 JSELTGNIXQJUQU-JPMGXVIASA-N 430.593 4.572 30 10 IJEE CCC[C@@]1(C(=O)OCC)CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1642933471 FWTNIDNEYJILND-VWLOTQADSA-N 442.604 4.618 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1F 1648777636 VUDSNXGTQUHCSB-ZDUSSCGKSA-N 446.059 4.908 30 10 IJEE C#CCC1(O)CCN(CC(=O)N(CCCCCC)c2nc(-c3ccccc3)cs2)CC1 1654620493 XMDAASHBFFLJOJ-UHFFFAOYSA-N 439.625 4.574 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1)c1ccc(F)c(F)c1 1655031176 JMNFWTCMZXDJMQ-HXUWFJFHSA-N 441.459 4.764 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc(CNc3cccc(C#N)c3C)cc2OC)cc1 1657458460 HZNIRBLOMNIIPK-UHFFFAOYSA-N 445.519 4.904 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cc(OC)c1OC 1659834163 VKLACHPXCQACGG-UHFFFAOYSA-N 444.380 4.834 30 10 IJEE Cn1cc(CNC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 1661291905 HVYVAIFCLWJVAX-DEOSSOPVSA-N 433.987 4.756 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1666452788 LAIKARBCXHSWNT-ILZLQZNLSA-N 445.629 4.752 30 10 IJEE C#CCC1(NC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CCOCC1 1667740768 SVWJOSWPHOGTHE-UHFFFAOYSA-N 445.441 4.652 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1670132459 QAVHVTCUQIIRRR-SECBINFHSA-N 448.264 4.977 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F)c1ccc(Br)cc1 1670941397 UHGFVPQFCUVFBX-DLBZAZTESA-N 441.247 4.735 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F 1674143784 BQXANSQSHQMROF-KRWDZBQOSA-N 436.430 4.723 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 1675154973 YIHGVSWXZMVAPC-IBGZPJMESA-N 442.566 4.773 30 10 IJEE C=CCC1(CNC(=O)NCC2(c3cccc(Br)c3)CCOCC2)CCCC1 1682822829 PQDHAQXDFDHCCZ-UHFFFAOYSA-N 435.406 4.933 30 10 IJEE CN(C)C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(C(F)(F)F)c1 1683258801 GYSYSPNXIYQFAT-RTWAWAEBSA-N 430.474 4.557 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)CCCC1(C)C 1683577979 MTWBZXAVGZDFPR-SFHVURJKSA-N 436.394 4.862 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 1684569939 APZZMCZCXJSRDE-OAQYLSRUSA-N 435.524 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1CCO[C@H](C)C1 1689838980 BEGYFKLWQOIFGG-XHSDSOJGSA-N 449.368 4.510 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OC(C)(C)C)CC1 1689919464 OUQZKOIFEIOZBY-UHFFFAOYSA-N 430.980 4.804 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCS1 1690095769 CACORDQBIBVRIV-IBGZPJMESA-N 444.670 4.647 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1ccccc1C 1690240259 CXKDEWVABNHZBI-NZQKXSOJSA-N 436.556 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCOCC1(C)C 1690258349 CTAXUMCDXQFBSZ-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccc(Cl)cc2C1 1690276056 HCQMGVCAXMOJJV-UHFFFAOYSA-N 446.780 4.838 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](C(C)C)C1 1690287421 ACUNIFJBWVPBKB-MOPGFXCFSA-N 449.665 4.547 30 10 IJEE C=C(C)COCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccccc1Cl 1690319951 DTJZZECJBVTCIN-KRWDZBQOSA-N 434.878 4.711 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(N(C)C)CCCCC2)CC1 1690402832 RGUHLVWYDFVFBD-UHFFFAOYSA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](OC)C1 1690421014 VXXZFXPNWWEMRG-HNNXBMFYSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690437610 JQWOZAKIVQGMLF-UNMCSNQZSA-N 426.605 4.937 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1690461156 VLZWLLXLIOSTED-HXUWFJFHSA-N 436.604 4.858 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690465533 DWWZFUOCXAAOHC-GOSISDBHSA-N 440.485 4.912 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCN(CC)C1 1690515905 WTAMBUIBATYCFW-RBUKOAKNSA-N 432.012 4.652 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1690519724 VJZKXAZPCQFHLN-HXUWFJFHSA-N 439.604 4.777 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@H]1C 1690555854 GDZFLGCBYFEIML-KNQAVFIVSA-N 447.583 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](CCC)OC)C1 1690690120 RQUZZLFDJHNJJW-DLBZAZTESA-N 439.387 4.848 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCOC2(CCCCCC2)C1 1690749895 SXVMQIKYVFKDGQ-UHFFFAOYSA-N 432.659 4.779 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705528217 YSTPCYIVIWPXGA-OAHLLOKOSA-N 444.860 4.699 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1705531324 FZZHLZPXNWEOSW-FQEVSTJZSA-N 446.599 4.522 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1705537363 DANGMZLZMROSQE-KRWDZBQOSA-N 431.005 4.643 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCC1(C)CC1 1705669996 DYPHUPLMAMKZEC-JOCHJYFZSA-N 443.389 4.899 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1705809389 PYYHGVQTSJMRDO-IBGZPJMESA-N 438.494 4.598 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1705824271 LIGYSADWCNTLRW-MXEMCNAFSA-N 430.637 4.947 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC=CCC1 1705865546 ZSBPHHFZGQUJTH-NRFANRHFSA-N 434.563 4.828 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@@H](C)c1ccc(F)cc1 1705880376 CZZNPXCNSMWYLA-GOSISDBHSA-N 432.503 4.506 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1708055624 FILJBTLOORILCR-FQEVSTJZSA-N 448.640 4.822 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)SC)CC1 1709875269 AQXTVAZLXXHKRG-HXUWFJFHSA-N 427.618 4.744 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2cccs2)CC1 1712761348 FCSIAHFDBNXYFD-INIZCTEOSA-N 439.610 4.883 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H](OCC)C(C)C 1722467852 HLYPVZOMIKRIMD-JYFHCDHNSA-N 446.599 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@@H](COC)C1 1722494340 LYBCXJKDLVPUQN-CBQOVEMMSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC)CC1 1722499769 ASHRHWWUXZZEBT-WMZHIEFXSA-N 428.552 4.604 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Cl)s1 1722510337 QXHMTYBOEURJBA-DYESRHJHSA-N 444.004 4.596 30 10 IJEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(CCC)Cc1ccc(F)cc1C 1722526038 PCDZBYXUVOLWMD-UHFFFAOYSA-N 432.547 4.957 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722543187 MPZHKZLUNLYWBB-OPAMFIHVSA-N 436.959 4.951 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1722600329 NHWKOICFYVTNCM-QFIPXVFZSA-N 444.583 4.860 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](CCOC)C1 1722606517 AUVOETNRGHSQMT-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccnc(SCC)c1 1722672088 JUOPYCVYPFKOOQ-OAQYLSRUSA-N 449.580 4.524 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCc2cc(OC)ccc21 1722674872 JPKSPZWHHDRZBW-JOCHJYFZSA-N 429.568 4.571 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722677042 RIAQTTYLJHCLDT-XUZZJYLKSA-N 449.599 4.928 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@H](C)C2)C1 1722716943 AGDHVOOPMZCGKQ-TXTKFYIRSA-N 438.616 4.839 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)C1 1729268981 DJELSBOMEWJQFL-XUZZJYLKSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCSc1nccs1 1740558315 RVXBSWUZWDJWCQ-SFHVURJKSA-N 441.626 4.571 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1740576585 AMGQSKGPSSJXJT-FQEVSTJZSA-N 433.383 4.919 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@@H](C)C1 1740636059 PAKHALDFIBMZGC-RTWAWAEBSA-N 428.536 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740652348 YSDBQBBMLCJIJA-GBESFXJTSA-N 437.385 4.607 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740673690 CNASTKBAYOEXGF-XUZZJYLKSA-N 433.600 4.582 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC[C@H]1C 1740680953 UACNPLIVYOGRFJ-IPMKNSEASA-N 426.630 4.654 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCCCC2)CC1 1740833151 LYXANGQOOPSXAB-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740869876 CUCYTNHRPBWZQG-UHFFFAOYSA-N 441.988 4.589 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1=CCCCC1 1740917577 XGZXNFYRRANCRR-ZEQRLZLVSA-N 447.583 4.567 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccc(F)cc1 1740923693 RXPPPJXMAPAYLX-HSZRJFAPSA-N 428.577 4.778 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C 1740935004 YOPILELDOMTJPZ-UHFFFAOYSA-N 445.608 4.707 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740998345 KZCZJPZGBGIGGB-HSZRJFAPSA-N 430.618 4.514 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2cccs2)C1 1745681287 FYKWQWZWTSXFSR-ICSRJNTNSA-N 434.613 4.808 30 10 IJEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)C)C(=O)OC(C)(C)C 1746318729 BLPMIOIUNPOZCZ-UHFFFAOYSA-N 440.592 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCCC1=O 1748654524 JJOXWSOHPIXDOP-INIZCTEOSA-N 448.398 4.503 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCO[C@@H]1CCCC[C@H]1C 1748775297 IFEIYQQJYAWOJO-NLWGTHIKSA-N 426.630 4.796 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1749023015 OVLWREPXOSRPSD-RDPSFJRHSA-N 437.613 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CC(C)(C)COC 1749072996 BPKJMVPAZDSRBX-AREMUKBSSA-N 438.616 4.954 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749122705 ZLBKOPFGUAHFAP-KJNZLNQQSA-N 441.526 4.525 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cl)=C(Cl)C1 1749123525 FJGRZWLEZJGFBO-XLIONFOSSA-N 444.366 4.697 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cccs1 1749212900 ARWWRKOZGNWXJM-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749219433 HNGXKYUGPBXSQZ-HDICACEKSA-N 441.526 4.814 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)CC1 1749260872 FBVLZGNYQQPXLA-JOCHJYFZSA-N 434.968 4.500 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@@](C)(O)C(C)C)CC1 1749331626 RAJUTPFAKCSIFP-BXKMTCNYSA-N 428.646 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749359378 JVGPVEKZJFXKHX-GHTZIAJQSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749366738 KQSGPSXXPLAXSU-WOJBJXKFSA-N 445.652 4.501 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1749545218 YBJZBMRHUFLNNN-UHFFFAOYSA-N 435.641 4.755 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1749755221 XFJQUXSUQIGPHA-NHCUHLMSSA-N 431.694 4.946 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1750243433 FAVRTBWZYFHTCB-LMNJBCLMSA-N 425.602 4.639 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)[C@H](C)CC 1760099784 LRNWIXHBUUERDL-UXHICEINSA-N 432.616 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CC)CCOCC1 1760103840 NAACYNMCKBSJPJ-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760106374 BRKCGUMOEREBHA-QHAWAJNXSA-N 444.627 4.708 30 10 IJEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cccc(C)c1 1760140932 DRRWBNYGOQDBEJ-NRFANRHFSA-N 447.608 4.723 30 10 IJEE C#CCCCCn1c(N2CCC3(CCN(Cc4ccccc4)C3)CC2)nnc1C(C)(C)C 1760142754 MHCLURYTJGVABZ-UHFFFAOYSA-N 433.644 4.872 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN(C)c1ccccc1 1760173239 OTABMCNOMDXHQN-IBGZPJMESA-N 433.625 4.727 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760274273 HWUDSYVPLNTOMQ-YADHBBJMSA-N 440.657 4.970 30 10 IJEE C=C(Br)Cn1c(N(C)CCOc2ccc(Cl)cc2)nnc1C(C)(C)C 1760313865 GFXCEYVMJVUXCJ-UHFFFAOYSA-N 427.774 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1ccccc1CC 1760409853 JZNQSBWFKNILJY-UHFFFAOYSA-N 434.588 4.523 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCCN1CCCC[C@H]1C 1760454782 SMLQOASSXZAXBE-GOSISDBHSA-N 446.437 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(OC)CCOC1 1760485748 PDCJUUHQVHMVBO-JOCHJYFZSA-N 444.988 4.658 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC2(OC)CCC(C)CC2)C1 1760546151 JPPIYWNKVUFDMY-BAOIDCNMSA-N 438.616 4.554 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(F)(F)F)cc2)C1 1760546584 RGJWWHOBCXLZIY-LJQANCHMSA-N 448.514 4.779 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)CC1 1765397991 DUSLQQPUVZEZIA-UHFFFAOYSA-N 448.615 4.672 30 10 IJEE CC[C@H](Oc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(=O)O 1772763415 POMBFGGDMUYPIV-WLYWTPGKSA-N 440.521 4.567 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccc(OCC(C)C)c1 1861761890 SGCAYUMZHDNSGU-ISKFKSNPSA-N 446.632 4.554 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1862383199 JDYHRDNSPZZVGG-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1862433238 XRTBIJSQHXIQBZ-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456430 RPECWXCZVJEFJE-IBGZPJMESA-N 429.419 4.944 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2c(F)cccc2Cl)c1 1862494334 KVQQKWBBUVXTPX-NRFANRHFSA-N 445.918 4.837 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 1862507981 VYLSDRWSLJPIAC-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(F)c1 1862545135 SUPFSOPZKUBACQ-QHCPKHFHSA-N 437.511 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3cc[nH]c3c2)cc1F 1862640396 HXHDZTSLJHPPND-JOCHJYFZSA-N 434.467 4.837 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)cc1 1862653577 RTPQDUMFZSJESR-XMMPIXPASA-N 445.515 4.853 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862659848 BZXBPUPGAAECQH-JOCHJYFZSA-N 440.971 4.993 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC)cc1 1862669237 RDJUJHJPRWIFOH-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1862675735 SBLQSDFLTITXDR-RCDICMHDSA-N 433.435 4.576 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 1862828486 KPQXWVVXMQNYOV-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3Cl)C2=O)cc1 1862964741 CXCCEZVCZNMYCZ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3Cl)C2=O)cc1 1862965045 PVVOYQOAAXAZTC-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCN(C)C)C1=O 1863605372 PJUPKPKBSCPACL-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE C=CCNC1=C(c2c[nH]c3ccccc23)C(=O)N([C@H](C)c2ccc3c(c2)CCCC3)C1=O 1863822325 GWVOMDXPERXVIX-QGZVFWFLSA-N 425.532 4.663 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)cc1 1870145287 YQHTXDBMKDSTBJ-UHFFFAOYSA-N 444.322 4.806 30 10 IJEE CC1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCc2ccccc2)CC1 1870348986 VHTCGESBEUYOHY-UHFFFAOYSA-N 441.575 4.774 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(=O)OCC)cn1CCCCCCCC 1870452403 JEKBGWPMEVSZNF-UHFFFAOYSA-N 432.605 4.715 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1C[C@H]1CCCO1 1870470969 ZNQBAGRKTDTMDC-RUZDIDTESA-N 436.596 4.904 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(F)c(F)c2)cc1=O 1870810399 ARYSAJUYYBAUKO-UHFFFAOYSA-N 426.463 4.555 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870830424 OEMBAMAQHPMDMW-UHFFFAOYSA-N 426.561 4.722 30 10 IJEE C#CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(CCCC)cc2)cc1=O 1871007606 JYJOPIDIRHJSEF-UHFFFAOYSA-N 435.612 4.691 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(-c4ccccc4)cc1)C3=O)CN(C[C@@H](C)O)CO2 1871355056 PQJWIKLHQOWRIG-SAMUYDCASA-N 427.500 4.811 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)CCOc3ccccc3)cc(C)c2C1=O 1871384020 KLNCXRDLYLVKCF-HAHDFKILSA-N 430.456 4.994 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 1871396622 OYCRCLVMTYJNRA-NNMJQWOPSA-N 435.520 4.581 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871432296 CCJLQVGJYXGSOC-MXAYSNPKSA-N 427.456 4.831 30 10 IJEE COc1ccc(CNC(=O)COc2cc(C)c3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 1871446940 SQNWNAFQJGLWEF-MTJSOVHGSA-N 449.528 4.685 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCC[C@H](C)C2)n1 1871629466 MHBOUNBMUVKUDI-SFHVURJKSA-N 436.608 4.922 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872319715 XFRBFQALFSXZFS-QFIPXVFZSA-N 444.597 4.605 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872526333 WVRKCRDPXUPBLR-QHCPKHFHSA-N 428.598 4.904 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)c(OC)c3)n2)cc1Cl 1872785547 PQLKWCKXMKFODE-CQSZACIVSA-N 428.897 4.979 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c(OC)c1 1872787353 HVOIXMWGSRGBLU-LJQANCHMSA-N 436.533 4.872 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N(CC)CC)cc1)n2Cc1ccco1 1873614831 DZFGTFLOGHBGBP-UHFFFAOYSA-N 444.539 4.769 30 10 IJEE CCc1ccc(OCCCc2nnc(SCCCO)n2/N=C/c2ccc(C)cc2)cc1 1874224215 ZBRLIHZCFAUGPC-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(C)cc1 1874360405 FFFZNWDBFRYLAO-MFKUBSTISA-N 436.581 4.722 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(Cl)cc1 1874415105 YJZWPJMTSWFWFY-CIAFOILYSA-N 434.974 4.511 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1c(F)cccc1Cl 1874468829 ZNMMINSAGXEDOH-LSFURLLWSA-N 436.896 4.504 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1c[nH]c2ccccc12 1874478915 YYHXXSJUTUSMEI-MFKUBSTISA-N 438.601 4.525 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2cccc(OC)c2)CSc2nnc(CCOC)n21 1874905207 NSZLTTVXIUSCBG-FQEVSTJZSA-N 446.617 4.538 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)Cc2cccs2)c(OC)c1 1875118195 PWDFHRPJRVNCFC-ZHACJKMWSA-N 438.501 4.818 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1 1875143637 JUQPZMAZSIFWGB-SDNWHVSQSA-N 432.472 4.893 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1 1875193321 CXKJZGPTDBGKPT-VMPITWQZSA-N 438.823 4.767 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CCO1 1922113601 SDIDZXPHUMWAGD-WRALFONMSA-N 432.605 4.590 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1C#N 2010542411 DLXSJDSHOAJKJM-MGPUTAFESA-N 443.931 4.649 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NC 2041203532 XVMGPBDXBSCNEH-SJORKVTESA-N 429.786 4.540 30 10 IJEE N#Cc1c(C2CC2)nn(-c2cc(C(F)(F)F)cc(Br)n2)c1Br 2080281103 MEYXLDBYAASJIU-UHFFFAOYSA-N 436.029 4.560 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)c1ccc(CNC(=O)OC(C)(C)C)cc1 2174568617 RHSUEXARQKQFME-UHFFFAOYSA-N 430.346 4.982 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@]1(C(=O)Nc1ccc(Br)c(C#N)c1)CC2 2180994836 GPEISBPQYQZYMF-YWZLYKJASA-N 434.334 4.581 30 10 IJEE CC1(C)C[C@@](Oc2ccc(C#N)cc2Br)(C(=O)O)[C@@H]1OCc1ccccc1 2197254894 ZYBSSXASADLSSF-NQIIRXRSSA-N 430.298 4.538 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(F)cc1Br 2225591665 XAGYUSBERWNHCU-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CCC1CCC(NC(=O)OC(C)(C)C)([C@H](N)C#Cc2ccccc2Br)CC1 2235720644 HTPHKSMOXMNXHL-COFLGROHSA-N 435.406 4.992 30 10 IJEE N#Cc1ccc([N+](=O)[O-])cc1Nc1cc(Br)ccc1I 2237604340 XGMCVNWPTOSEQA-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE N#Cc1ccc([N+](=O)[O-])cc1Nc1ccc(Br)cc1I 2240325689 PSANSTGPRSJDOW-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 2245893535 NRWOJANKPDUHEV-IFXJQAMLSA-N 435.487 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@H](N)CC#CC2CCCC2)C1 2251485253 QFBHISNACVREKW-ZEQKJWHPSA-N 426.601 4.741 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267000549 ZEMDXYYCIHOOKJ-CBQGHPETSA-N 438.421 4.657 30 10 IJEE CC1(C)OB([C@H]2C[C@H](C(=O)NCCc3ccc(OCc4ccccc4)cc3)C2)OC1(C)C 2267563767 CPQZJUJFIKKQFF-HZCBDIJESA-N 435.373 4.797 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268713425 XQNYAASFXFWTTA-LJQANCHMSA-N 442.365 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCCC(=O)Nc2ccc(C#N)c(Br)c2)C1 2296142081 KMGJVHXSGNYPJE-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296284464 RAQYYWVXNGJIFX-FFZOFVMBSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@H](O)C#Cc2ccc(Br)cc2)CC1 2296288459 HITRYQUPPHWTIQ-FQEVSTJZSA-N 436.390 4.979 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 2297060235 KFIAOMMIUNWASG-XMMPIXPASA-N 442.515 4.801 30 10 IJEE CCCOc1cccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 2297740485 YQRGWDXYTJCPNT-XMMPIXPASA-N 442.515 4.801 30 10 IJEE CN[C@H](C#CC1(SC)CC1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2314651281 FBFDDGDRUXKXFG-MRXNPFEDSA-N 425.392 4.956 30 10 IJEE Cc1cccc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2319682147 GYCSPRRQSKVWHF-MRXNPFEDSA-N 430.354 4.650 30 10 IJEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1 2321958814 VHMITOSHCYYKTR-CYBMUJFWSA-N 432.303 4.941 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2cccc(Br)c2)cc(Cl)cc1OC 2322460379 NUEXYOBPAWAIMY-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 2324652316 WXDDHMUMDYLHOK-QGZVFWFLSA-N 438.480 4.865 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325072540 SFKQHPNDTUEJFD-OAHLLOKOSA-N 430.884 4.612 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cc(OC)ccc1OC)C2=O 2325079416 PXLWNIWNUVRGAP-LJQANCHMSA-N 440.492 4.739 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325718190 WXDLLAFCHWBBNJ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1cc(C=Nn2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)ccc1O 2325901320 SLVFOWOIQDVCFG-UHFFFAOYSA-N 440.569 4.781 30 10 IJEE OCCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)cc1 2328091377 NBVABEMGUSSUBV-UHFFFAOYSA-N 435.380 4.727 30 10 IJEE CCCOc1ccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CCCc3ccc(C)cc3)CCN2)cc1 2328263772 RNEMLCKXZNGIGG-AHWVRZQESA-N 448.607 4.626 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)cc1 2328576625 OTMAWZMWQNWYSN-UHFFFAOYSA-N 429.549 4.641 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(SCCCO)nnc1[C@H](C)c1ccccc1 2330132749 VZWFIAONQCTCOE-GOSISDBHSA-N 446.576 4.948 30 10 IJEE C[C@@H]1[C@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339578341 FUSXTVQVVBRAAE-RIBQSRIRSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CC(C(C)(C)Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339590412 MLFQACCOARKTPX-UHFFFAOYSA-N 444.381 4.751 30 10 IJEE N#Cc1ccc(N[C@@]2(C(=O)O)CCCC[C@H]2OCc2ccccc2)cc1Br 2374914755 HEQOKIYLMXBCOK-CTNGQTDRSA-N 429.314 4.715 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 2470823 WLHGTQIAQAACEB-QHCPKHFHSA-N 430.479 4.670 30 10 IJEE C=CCn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccco1 22133774 CUHKTFDYOUOKCH-UHFFFAOYSA-N 444.314 4.829 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O 23559698 UFMUQQSCIJKYAM-HOCLYGCPSA-N 427.595 4.619 30 10 IJEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(OC)c2)cc1 32943280 NEGLYBVTZODZNO-UHFFFAOYSA-N 442.519 4.626 30 10 IJEE biogenic C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCOC)c1 39912951 MENLULCUTUFUAB-NRFANRHFSA-N 439.895 4.511 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1ccc(C)cc1 59021423 GAHUCXQGIJZORC-MSXFZWOLSA-N 449.367 4.987 30 10 IJEE COc1ccc(-c2csc(N3N=C(C)/C(=N\Nc4ccc(Cl)cc4)C3=O)n2)cc1 100341554 PSDQWXWXZIACML-HKOYGPOVSA-N 425.901 4.663 30 10 IJEE C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O)C(=O)O 118925164 PEIQVFBLXUEBGA-GJKGPBNHSA-N 446.628 4.603 30 10 IJEE in-vitro O=c1[nH]c(N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)nnc1-c1ccccc1 169898704 TUBPBBDIDMQEKS-AFUMVMLFSA-N 431.883 4.510 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(CC)C(C)=C2C(C)=O)ccc1OCc1ccc(F)cc1 169933291 JJABXSVUFYWKCV-HSZRJFAPSA-N 442.556 4.918 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(O)cc2)c1 169959130 JNPYXBUVSVNIRV-HXUWFJFHSA-N 434.517 4.865 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC)cc1 170033097 CKXKLKXKFQREQH-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170040923 XFDXGHJXCHBRAS-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 170058216 NEOIOMMJMBCPAW-FPOVZHCZSA-N 425.912 4.660 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12 170076776 VUENPPXDBYPHDW-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccco2)s1 170092715 SMEQLRYYJTXXSW-MRXNPFEDSA-N 432.860 4.928 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(O)cc2)cc1 170132433 YLUKJHJAHPMSKC-HSZRJFAPSA-N 445.471 4.668 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2cccs2)c1 170139103 BQOKOGLYHIEAMH-FQEVSTJZSA-N 434.473 4.743 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccccn2)c1 170144185 SIYSRASIPGDTLQ-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccncc2)cc1 170204848 HPZXXVJLHKJOMI-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(C(C)C)cc1 170244565 KWKWNKQUHTXSIS-JOCHJYFZSA-N 449.503 4.790 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)o1 170401562 SWYCMQGUHNQRMJ-KRWDZBQOSA-N 433.338 4.863 30 10 IJEE Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(CC(=O)OC(C)C)cc2)c1 170459819 YNGLOFOGHYAKEC-QHCPKHFHSA-N 435.520 4.614 30 10 IJEE CCOc1cc(C=NN=C2NC(=O)CS2)ccc1OCc1ccc(Cl)cc1Cl 252592802 BHPUBBLEANWHIO-UHFFFAOYSA-N 438.336 4.524 30 10 IJEE COc1ccc(N=C2S/C(=C/c3cc(Br)ccc3OC)C(=O)N2C)cc1 254441040 OMYQKPIYIWCNFZ-XADZQOGUSA-N 433.327 4.700 30 10 IJEE COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 254558425 IOQNREOOOIMXAI-IBGZPJMESA-N 445.972 4.564 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCC(F)(c3ccccc3)CC2)nnc1-c1ccco1 434043403 STNFYKWSKDTOAW-UHFFFAOYSA-N 440.544 4.694 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(Cl)c1F)c1nc(C(=O)OCC)cs1 435527944 UEDVOCAQIFCAAJ-UHFFFAOYSA-N 447.713 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 438073553 LAJATWGHTGPBAD-CVDCTZTESA-N 428.552 4.551 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 441466367 NNOXFHUCPNWNLV-UHFFFAOYSA-N 432.377 4.514 30 10 IJEE C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 511003784 VHJIHQZQHPHOBF-INIZCTEOSA-N 442.357 4.505 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(SCc3ccco3)C2=O)cc1 526666545 IXWHCQKFTNRXME-UHFFFAOYSA-N 429.501 4.844 30 10 IJEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(=O)OC)cc2)cc1 526827291 NMVNYVIUPUUKNG-MYYYXRDXSA-N 438.553 4.808 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C4CCOCC4)CC3)n2Cc2ccccc2)c1 549511488 VKSAHMRCGOEYIL-UHFFFAOYSA-N 427.552 4.508 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 558998292 NOHFDYOZERPRAX-HXUWFJFHSA-N 446.473 4.829 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)N(C)Cc2ccccc2)no1 577376193 UEQALXWTOFYUER-UHFFFAOYSA-N 431.414 4.521 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 583706249 UWXUXSRARNYURW-JKSUJKDBSA-N 449.368 4.676 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nnc1-c1cccnc1 623014763 HPMQPYCRPJHVBX-CVEARBPZSA-N 433.537 4.630 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(F)c1F 689648692 XSPNDXHXAIAOTC-WMLDXEAASA-N 431.321 4.685 30 10 IJEE CCCN[C@H](CC#CCOC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 698964874 ZDKGALHJCLRWJB-QGZVFWFLSA-N 425.367 4.877 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 699670592 YJWQWHBYJAPPSQ-LIRRHRJNSA-N 435.487 4.715 30 10 IJEE C[C@@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709339043 BRTZDWNHLOBASD-DXEZIKHYSA-N 434.541 4.604 30 10 IJEE CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732697318 YVWYXCQENIDZSB-SFHVURJKSA-N 440.931 4.735 30 10 IJEE Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c(Cl)c1 744841550 YTNRRBGFFBVULU-IERDGZPVSA-N 428.916 4.802 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1C#N 752195880 KALVKQPUUZDRQE-JKSUJKDBSA-N 433.386 4.767 30 10 IJEE N#Cc1ccc(N2CC[C@@H](OC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)C2=O)cc1 764050410 HUIGPVZBWVRSSF-ZKTNYTPDSA-N 434.801 4.506 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)nc1 782058131 JPXPLAUUAFNQMZ-UHFFFAOYSA-N 430.855 4.664 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1C 799211317 KQESAJYWFLUGIN-GOSISDBHSA-N 445.466 4.607 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 800778023 WRAZWDLXEPMSRF-DEOSSOPVSA-N 445.542 4.712 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1nnn(-c2ccc(F)cc2)c1C 814769694 GBDHISZPJPFVGN-UHFFFAOYSA-N 429.381 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccnc1SCc1cccc(Br)c1 1128537781 CXCYEYDTNWEMRV-QFBILLFUSA-N 447.398 4.847 30 10 IJEE C=CC[C@H]1N(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CCCC1(C)C 1128572993 FMYJCTKJOWAHDR-GOSISDBHSA-N 442.419 4.596 30 10 IJEE C=CCCOCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 1133194070 XCOAQWIQLUICAC-JOCHJYFZSA-N 446.588 4.579 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2ccccc2Cl)s1 1136315115 LKRMDJJZSRQHPH-KRWDZBQOSA-N 447.988 4.941 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC)c1cccc(C(F)(F)F)c1 1136563074 OXAMDFHDCXOZJR-QZTJIDSGSA-N 426.479 4.970 30 10 IJEE C=CC[C@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)C(=O)OCC 1138145859 BSZBAXRVCDQWRQ-SFHVURJKSA-N 448.382 4.979 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 1141500283 CSIYGRMRRONQTN-KRWDZBQOSA-N 436.339 4.892 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3OCC)[nH]n2)cc1 1142298805 UBQKGLJDYIXCBR-UHFFFAOYSA-N 430.508 4.542 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](c2cccs2)C2(CO)CCC2)c1 1163484373 BSLGYEHGCZKJRZ-QHCPKHFHSA-N 432.545 4.832 30 10 IJEE C=CCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc([C@H](C)CC)cc1 1165223364 TZLALUWUXGCTTG-OAHLLOKOSA-N 441.984 4.947 30 10 IJEE C=C(C)[C@@H](NCC(=O)N=c1cc[nH]n1Cc1ccc(C(C)C)cc1)c1ccc(F)c(F)c1 1169472092 FHSWQUJSRJNABB-RUZDIDTESA-N 438.522 4.600 30 10 IJEE Cc1cccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c1C#N 1185140922 FCLVIHDJKLYLPV-UHFFFAOYSA-N 445.588 4.608 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)s2)nc2sc3c(c2c1=O)CCCC3 1188253294 YHSVBSZFDDZKIZ-UHFFFAOYSA-N 432.592 4.663 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)sc2ccc(C#N)cc12 1189701296 FTSFDUMIQKTULG-VIFPVBQESA-N 431.486 4.596 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1 1196158021 CQZKTHOFSWDILQ-QHCPKHFHSA-N 428.557 4.934 30 10 IJEE C=C(C)COc1cc(CNc2nc3ccc(I)cc3[nH]2)ccc1OC 1203215950 OMJLHSRZLNBEPL-UHFFFAOYSA-N 449.292 4.743 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(OCCN(CC)CC)c1)c1ccc(Cl)cc1 1215082954 VMGIYVGRDKQWNY-HXUWFJFHSA-N 429.948 4.565 30 10 IJEE C=CCC[C@H](NC(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1230693157 COBNJXSORRTACP-NZQKXSOJSA-N 445.485 4.551 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2ccc(NC(C)=O)c(F)c2F)s1 1272435452 OIJNEFRWPOCGOE-UHFFFAOYSA-N 432.901 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1286277499 DHIVJVMWGPEYEF-GJZGRUSLSA-N 432.952 4.973 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1286316410 IJXMCRJKPZFLCA-PGRDOPGGSA-N 431.565 4.648 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1286326281 AAYSNANUHPQXKT-FQEVSTJZSA-N 434.613 4.525 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(-c2ccsc2)nc1 1286368613 WQKKXAGAIQZHEM-UHFFFAOYSA-N 437.931 4.979 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@@H]1C(=C)C 1286423400 LGNIMHAIVUYTMA-DYESRHJHSA-N 443.378 4.696 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286554762 IFROYKBOJZHJTO-RHSMWYFYSA-N 441.523 4.639 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286674536 RRYAVFOEEHPYLN-UHFFFAOYSA-N 443.039 4.988 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccco1 1286695577 YJOKFIKSYYDHLF-MRXNPFEDSA-N 430.350 4.947 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1OC 1286741540 IQVBMBIVDJUNGL-ISKFKSNPSA-N 442.567 4.528 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1C 1286746801 DOEDISUYZIQDCC-ZWKOTPCHSA-N 436.585 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CCC(=O)N1CCCCCC1 1286748407 USJBMXFFDOXOOQ-UHFFFAOYSA-N 449.624 4.992 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 1296743001 YRTQVTKRTFTOQW-IBGZPJMESA-N 436.955 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCCC1 1300324210 BLSDVJDKGVSOQQ-GHTZIAJQSA-N 446.064 4.802 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCC(F)(F)C1 1300513228 WJSSFZZPQRTUCH-RTBURBONSA-N 444.501 4.846 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCC1(F)F 1300606739 SMOBMIYYSQUYHZ-INIZCTEOSA-N 437.332 4.993 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1CC1CCN(c2ccncc2)CC1 1300920973 KHDIGGQWGWDKBH-UHFFFAOYSA-N 444.627 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc(CC)n1 1300925214 QYEFOEHFVKROQQ-UYAOXDASSA-N 431.650 4.861 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1301075305 CHRXIJQDWGSZPG-SFTDATJTSA-N 437.632 4.552 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@H]2CC)CC1 1301112678 ZAXLMIFIKUYQIL-CTNGQTDRSA-N 442.629 4.577 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2nccs2)CC1 1301134178 DUIFKFBIWVTVMM-UHFFFAOYSA-N 429.977 4.612 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccco1 1301246955 ZRVCBJKAOOWURY-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1c(C)coc1C 1301365228 KMEZRCZRGSWFNU-UHFFFAOYSA-N 436.585 4.652 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC(C)(C)c1ccccn1 1301365283 LFOMTPGONJCMGR-UHFFFAOYSA-N 444.608 4.891 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc(F)cc1F 1301365604 UABPLUGWAMBTCJ-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCC1(F)F 1301394900 UNLNTGBQOWFYQA-GOSISDBHSA-N 426.515 4.521 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(F)c1 1301410705 KNDRWYSOFUJJNN-QFIPXVFZSA-N 440.519 4.544 30 10 IJEE C=CCn1c(SCc2cc(OC)ncc2Br)nnc1-c1ccc(F)cc1 1307260577 UPWQMCZRVLPVDA-UHFFFAOYSA-N 435.322 4.729 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2COC(C)(C)O[C@@H]2c2ccccc2)cc1 1310195914 HFPABDZVQCBFQU-DHIUTWEWSA-N 449.551 4.515 30 10 IJEE C=CC[C@H]1CCN1C(=O)Nc1cc(Br)cc(I)c1C 1311065248 ZGHASVFLPMARPS-NSHDSACASA-N 435.103 4.544 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CC)c1cccc(OC)c1OC)c1ccc(Br)cc1 1312936163 GLSNEIUXVWCKKP-ROUUACIJSA-N 431.330 4.591 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)C1(C)C 1314248676 GUPAUXDOILBXCB-FGZHOGPDSA-N 437.588 4.559 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(Br)c(C)c3)s2)C1 1323603597 KBINHBQLKVGDLN-HNNXBMFYSA-N 436.375 4.614 30 10 IJEE C=CCN(C(=O)CCS(=O)(=O)Cc1cccc(C)c1)c1nc(-c2ccccc2)cs1 1350013061 SDJUZBYCCKIECM-UHFFFAOYSA-N 440.590 4.643 30 10 IJEE COc1ccc(Cl)cc1C(F)(F)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 1350486112 HBYDUZHZKULALC-UHFFFAOYSA-N 432.776 4.903 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 1351046240 FQCVRCATHUEZRP-GMAHTHKFSA-N 426.582 4.661 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 1352316644 FAUMPYLYFHRZIH-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1354035607 DGCZWLGLNHYWMA-QKKBWIMNSA-N 425.356 4.964 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)C1CCC(C)CC1 1359061157 SZGQPTVEAHSQHL-UHFFFAOYSA-N 426.630 4.855 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359061348 ZHRQZSMMONNBAP-RMNGQBEXSA-N 438.641 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](OC)c1ccc(Cl)cc1 1359114254 DZXSXWFDGPKZDO-OAQYLSRUSA-N 425.964 4.707 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[S@@](=O)C(C)(C)C)CC1 1359161928 VSLCCZGBVFUXLX-BJLXPSRBSA-N 446.686 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCN(CC)CCC(F)(F)F)CC1 1359163467 FZBSAIAYAVWAAE-UHFFFAOYSA-N 446.521 4.857 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)c2cccs2)CC1 1359175180 BSCCLMSIGLQAPF-QFIPXVFZSA-N 428.989 4.970 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cnn(C)c2C)CC1 1359181554 WUTRBUUTFBOZII-UHFFFAOYSA-N 448.615 4.647 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359191922 PWCQQHNGMKMNOD-NRFANRHFSA-N 448.615 4.570 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359207932 BIXWDOZOSHRTCI-AZUAARDMSA-N 435.538 4.859 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)(C#N)CC1 1359209351 KQATXUOCLLZLRM-UHFFFAOYSA-N 432.341 4.943 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1cc2ccccc2o1 1359232939 LEPODYGNTOUABG-UHFFFAOYSA-N 440.345 4.657 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCO[C@H]1CCCC[C@H]1C)C1CC1 1359247872 RUVXCDGZGWJVLT-UTKZUKDTSA-N 425.533 4.603 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@@H](C)C1 1359254012 BCABPGQEHHIJCP-RTWAWAEBSA-N 448.615 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H]1N(C)CCCC1(C)C 1359263357 ZETBGDMNPQKLOS-OAQYLSRUSA-N 436.629 4.715 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@@H]1C 1359275082 JTSHWUMUFCVMOR-QFBILLFUSA-N 440.389 4.862 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1nc(C(C)(C)C)cs1 1359280163 HEIWWFRBOBGPKX-UHFFFAOYSA-N 425.602 4.695 30 10 IJEE C=CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1359287345 XQRCMEUWZIYODW-QGZVFWFLSA-N 439.551 4.593 30 10 IJEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccsc2)CC1 1359954214 GTQMQYIDMDHMMR-UHFFFAOYSA-N 435.597 4.958 30 10 IJEE C#CCOc1ccccc1CNC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 1360337742 UMDLPERLTVLBNY-UHFFFAOYSA-N 448.563 4.582 30 10 IJEE C#CCOc1ccc(COC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1435848143 PWKXVVHCDGASBO-WMZHIEFXSA-N 443.902 4.533 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CCCC1(C)C 1436084335 WUMBYCQPUCIGHJ-GOSISDBHSA-N 427.010 4.624 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 1436486944 KSZSPADHXZITSL-UHFFFAOYSA-N 438.952 4.636 30 10 IJEE C=CCC[C@@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccc(C(F)(F)F)cc1 1458171698 FFJDDXGCAKPHDR-GOSISDBHSA-N 431.458 4.573 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(OC)c(OC)cc2F)cc1OC 1461404083 ADTNRBZKFITULF-UHFFFAOYSA-N 426.282 4.791 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2)nc1 1464627130 JILIFTKQOLGGSF-SFHVURJKSA-N 431.920 4.526 30 10 IJEE C=CCn1c(SC[C@@H]2COCCO2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1472916574 UKZCXQPCLAXABE-IRXDYDNUSA-N 433.643 4.851 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nc2sccc2c1=O 1472934570 GEXWAECNTNHUBH-AWEZNQCLSA-N 440.468 4.669 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1474198884 IEDGUIOSWZAIBZ-SFHVURJKSA-N 426.944 4.808 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)C1=O 1475857210 HIRRZAXOOHTJTA-SFHVURJKSA-N 433.936 4.881 30 10 IJEE C=CCCSCCNC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1476663852 OFBOLSHLWVAQFI-UHFFFAOYSA-N 433.599 4.535 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC(=O)N(C(C)C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 1478273134 SDNKHHBLFPCUEK-GOSISDBHSA-N 425.495 4.754 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1478915643 NFSYIWOIVUBTGO-FQEVSTJZSA-N 439.531 4.890 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCCC2)C[C@@H](C(F)(F)F)O1 1494235440 GVDIMHVERZNXAY-QAPCUYQASA-N 433.478 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCC1(F)F 1507519642 IWQQEMRREUHLAT-HOCLYGCPSA-N 437.332 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1c(C)coc1C 1507539742 AXEQSVFNFYJKMN-GOSISDBHSA-N 440.975 4.968 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(C(F)(F)F)c1 1507601550 HKXWUPRFFKCESR-AWEZNQCLSA-N 449.864 4.603 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC2(CCCCC2)O1 1507704231 UIFQGZAXQZRXTG-OAQYLSRUSA-N 442.991 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCN1CCCC(C)(C)C1 1507771267 BBIVCZZQDDMCJD-HHHXNRCGSA-N 449.643 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1c(F)cccc1F 1507795775 FLQNVCBRHYTUNP-WTOYTKOKSA-N 446.542 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl 1507798129 GAHRISHSRXAROM-IIBYNOLFSA-N 441.938 4.750 30 10 IJEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCC(F)(F)F)CC1CC1 1507828774 HDAYQCIWXMXURX-UHFFFAOYSA-N 430.478 4.876 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](CCC)C1 1507942026 LJSITRAWRYHOKV-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1507986321 MGBVHMJMVZSSJY-ZWKOTPCHSA-N 434.053 4.966 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(c2ccccc2F)C1 1508021639 OQKQWSZVOKKDJY-FQEVSTJZSA-N 437.588 4.774 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(F)(F)F)CC1 1508067687 OFMGISUMQSKBHV-INIZCTEOSA-N 443.514 4.705 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1Cc1csc([C@H](C)OC)n1 1513200786 DWIXEVDLMQLNGK-FUHIMQAGSA-N 438.601 4.771 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1)C1CCCC1 1516104402 CJUIODIGKHOZHI-HSZRJFAPSA-N 432.572 4.542 30 10 IJEE C#CC[C@@]1(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1516521266 YSTYVQXHLKLQTJ-NRFANRHFSA-N 425.356 4.745 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C(C)C)cc2C1=O 1520118236 WUCNQZNUMJMKNN-IBGZPJMESA-N 430.426 4.615 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)c1 1520377832 VQOZRLNDJNCLKG-UHFFFAOYSA-N 447.560 4.996 30 10 IJEE CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1520770054 CABQGNDFABRKAN-UHFFFAOYSA-N 442.515 4.907 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 1520908150 FSTMMDUMOVOKHX-QHCPKHFHSA-N 432.564 4.907 30 10 IJEE Cc1nn(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1-c1ccccc1 1521185314 HVNXCSLOBRRKDP-UHFFFAOYSA-N 438.535 4.852 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1523244598 HSAPGZQYUVLDIR-IRLDBZIGSA-N 445.600 4.906 30 10 IJEE CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1=O 1524133179 DSNDOMAQNMYACQ-IBGZPJMESA-N 441.487 4.741 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)c1ccc(Cl)cc1 1525039562 YODNBWHJKQDACQ-HSZRJFAPSA-N 428.923 4.854 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(C(F)(F)F)c(F)cc2C)CCCN1C(=O)OC(C)(C)C 1527411733 LRACUAWSJNLAFC-HXUWFJFHSA-N 428.426 4.884 30 10 IJEE COc1cccc(N2CC[C@@H](NC(=O)c3ccc(Sc4ccccc4C#N)cc3)C2)c1 1527994589 HTLIDKUERVMJTQ-HXUWFJFHSA-N 429.545 4.727 30 10 IJEE N#Cc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(F)c1 1529742443 CNJSOUILXRVZMD-UHFFFAOYSA-N 441.384 4.898 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1531923103 KVRPNTAOIJLDKS-BDKRGJGYSA-N 430.589 4.736 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)C1 1533315264 WFWODOFMVKJYAT-HXUWFJFHSA-N 426.582 4.720 30 10 IJEE C=CCN(C(=O)Cc1c(C)nc2ccccc2c1C)[C@H](Cc1ccccc1)C(=O)OCC 1538619024 UVSNZLNYGOMMAB-RUZDIDTESA-N 430.548 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(C)C 1538974260 SACDAJNKUSDDCA-OALUTQOASA-N 432.996 4.961 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1539141771 XXXHWWTVMFPLJL-HXUWFJFHSA-N 444.048 4.702 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1OCCC1(C)C 1539337407 OBCRZQUVDOIARP-HXUWFJFHSA-N 443.016 4.502 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC=C(C)CC1 1539498571 VEQUSARXGXKEIL-UHFFFAOYSA-N 435.622 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC[C@H]1CCCCO1 1539542178 UYOYDOKURRZYCP-DENIHFKCSA-N 443.389 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1cccs1 1539624162 QMUSBUWBVIXHPF-UNMCSNQZSA-N 433.581 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[S@](=O)CC 1539652170 OOJMTKXEYLIZMH-WJOKGBTCSA-N 439.629 4.524 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)(C)C)CC1 1539730072 WGGOZJNUDOHXTA-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(C(F)(F)F)CC1 1539780911 YMMNWBSRZQOXPC-UHFFFAOYSA-N 434.796 4.998 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1539918026 ZJNNRVFCOBXEMV-MOPGFXCFSA-N 429.634 4.923 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 1539946588 CJESSUWDZZXCGY-MZLICYQSSA-N 432.616 4.982 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCOC2)C1 1539954060 RDEGLBRMXWHJET-JOCHJYFZSA-N 445.405 4.989 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539982662 POKUFMAPJDVXCS-LEWJYISDSA-N 439.604 4.890 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540005673 LSPWVXIXNKJZCW-MRXNPFEDSA-N 441.929 4.561 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCN(C)[C@H](C)CC)C1CC1 1540098888 LFZHZUSMCTWGEE-MRXNPFEDSA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1C[C@@H](C)O[C@H](C)C1 1540134005 MXEJLQFFFMPVMA-RTBURBONSA-N 437.563 4.819 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C 1540147864 OLZVVRJHADTVHM-SFTDATJTSA-N 441.620 4.549 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(Cl)nc1 1540184615 GTSLDGRHFWOROF-UHFFFAOYSA-N 434.931 4.573 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@@H]2CCCCO2)C1 1540896822 UPNWJCVQLKEBKR-LEWJYISDSA-N 442.629 4.619 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1540911564 VMDFSOOZZZQUFY-LJQANCHMSA-N 433.021 4.771 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)C1 1557634885 QQTUVKCFNKCAIG-FQEVSTJZSA-N 448.592 4.671 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 1585672296 AKGDKNNLCBXZAO-BSKAQADGSA-N 444.531 4.670 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)c(OC)c1 1586174492 PFEIPWRQBQHFFG-UHFFFAOYSA-N 427.928 4.577 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(CC)CCC 1587568931 TWAYFJDIDNURCI-HXUWFJFHSA-N 432.616 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(OC)CCCCC1 1587600213 VWXFFNGWWLSFJN-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(-c4ccc(OC)cc4)s3)n[nH]2)c1C 1587747364 LJWZGQFGILHGNL-UHFFFAOYSA-N 447.564 4.743 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1587783463 QWAGCLUBISUZIV-QFIPXVFZSA-N 426.630 4.855 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)CCC(C)C 1587921519 ADAOIDMUKINHTA-SANMLTNESA-N 433.600 4.609 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@H](C)C1 1588198549 YDDSFAUAILMHIC-IAGOWNOFSA-N 431.367 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1589228470 OEPKNNWMDYJQAE-NHCICSSKSA-N 426.630 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)CN(C)C 1589599586 IPOVCBPAQVXENQ-UHFFFAOYSA-N 434.426 4.698 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1594651074 FZJKBKMLZMXEII-IBGZPJMESA-N 438.494 4.768 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(c2ncc(C)s2)CC1 1594793026 DUDOYDCJORRJPG-UHFFFAOYSA-N 427.574 4.588 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC(C)(C)C1 1594855810 CRCPOVLMJWMZSM-NRFANRHFSA-N 425.621 4.779 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC1(F)F 1595134117 SHHLHDLGXVGZGD-RTBURBONSA-N 434.506 4.939 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1CC1CC1 1595148879 AWWTWGYSDHKPIM-UHFFFAOYSA-N 432.391 4.710 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1595845633 XPTBYEFCXVFBFC-UHFFFAOYSA-N 447.612 4.574 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@]23CCC[C@@H]2C3)c1 1617294362 ZVWRWPORVNOVRV-JPYJTQIMSA-N 444.984 4.641 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCCS1 1619456312 ATNMTXJRUXLJRU-IRXDYDNUSA-N 431.631 4.603 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@@H](CCOC)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1623502824 VQTPQQHNHVSVQR-UQBPGWFLSA-N 428.573 4.889 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3nn(-c4ccccc4F)cc3Br)cc2n1 1626675857 HRZJIIHTDOXSIB-UHFFFAOYSA-N 440.276 4.562 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2cccc(OC)c2)CCCC1 1628808916 VHVNNDKSHCVVQT-UHFFFAOYSA-N 431.536 4.688 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1 1630085096 DUYIQUDUNAOJKN-MRXNPFEDSA-N 440.924 4.975 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)C1 1631292840 CXEDQSBZTMUOHD-IBGZPJMESA-N 438.593 4.579 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 1632268957 WNZLYPTUYBOBAI-IBGZPJMESA-N 441.597 4.944 30 10 IJEE C#CCN(C(=O)c1cc2cccc(Cl)c2nc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1634818487 RSOKSNMAAOCMIR-UHFFFAOYSA-N 441.959 4.672 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 1636098625 KZVUGQPMHKSSAB-QFIPXVFZSA-N 441.616 4.995 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(F)CC1 1636755695 FUYHNTGUDSUABA-XMMPIXPASA-N 436.527 4.820 30 10 IJEE CC(C)(C[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1)C(N)=O 1637013954 GZRSXSWGTSZQAS-MRXNPFEDSA-N 439.943 4.758 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC[C@H](C#N)C1)c1cccc(Cl)c1Cl 1637736145 CAQWLPDCXZASHG-CXAGYDPISA-N 426.344 4.664 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 1639337378 OMANLXDRNOCBLU-UHFFFAOYSA-N 440.590 4.640 30 10 IJEE CCn1c(SCC(=O)[C@H](C#N)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640709444 FLSIHWUHGBYNET-WMLDXEAASA-N 437.590 4.571 30 10 IJEE N#Cc1ccc(N2CCN(CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c(Cl)c1 1642905670 GODGKKMNRYKRJN-UHFFFAOYSA-N 430.939 4.639 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@H]2C3)ccc1Cl 1646489178 QGZJJNQDXFLWTC-PXNSSMCTSA-N 444.984 4.736 30 10 IJEE COC(=O)c1csc(-c2cccc(CNc3ccc(C#N)c(Br)c3)c2)n1 1651743878 DDPZPFZFBRUSLR-UHFFFAOYSA-N 428.311 4.843 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C(C)C)nnc1-c1ccc(OC)cc1 1652409600 TYHNSDHKJQEQNO-YYWHXJBOSA-N 442.629 4.951 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](Cc2ccccc2)C2CC2)n(-c2ccc(F)cc2)c1C 1653030729 FCLWLARVAUDRIA-DEOSSOPVSA-N 430.527 4.654 30 10 IJEE C#C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)c1ccc(Br)cc1 1659304082 GLDMLGABGYTKNW-CYBMUJFWSA-N 430.121 4.645 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 1659609000 YFRCZSQTOPLKNE-UHFFFAOYSA-N 449.526 4.889 30 10 IJEE CC(C)(C)c1cc(NC(=O)NCc2ccccc2-n2ccnc2)n(-c2ccc(C#N)cc2)n1 1661695222 DRBMEGHAWCVKKG-UHFFFAOYSA-N 439.523 4.549 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC(C)(C)COc3ncccc3C(F)(F)F)cc2n1 1664849853 NHSKXSQEUWYBHW-UHFFFAOYSA-N 433.434 4.615 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OCC)c(Br)c1 1665746583 VCZXPKHJQFWSMR-FQEVSTJZSA-N 448.382 4.549 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@H]2COc2ccc(Br)cc2)c1 1668518620 AAHUEQKAXJPRSR-SFHVURJKSA-N 429.314 4.536 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2Oc2ccc(OCCC)cc2)cc1 1668818841 TVWMUZYDTGBVOY-DQEYMECFSA-N 436.552 4.677 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)CCCCC1 1670422397 DWCKIZIMCQWQOQ-UHFFFAOYSA-N 439.581 4.952 30 10 IJEE Cc1ccc([C@@H](NC(=O)Nc2sccc2C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 1672812199 BQNJOIDMLDDYCM-FQEVSTJZSA-N 439.562 4.551 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CC[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]3C4)cc2n1 1673220312 FMSOUCSWHNKQBN-LRQRDZAKSA-N 439.560 4.522 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1673322336 RECCEZUSYUKPFA-UHFFFAOYSA-N 430.479 4.528 30 10 IJEE C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(c1ccccc1)c1ccccc1 1676319494 BUUDLWJRKJDDQY-FQEVSTJZSA-N 442.538 4.750 30 10 IJEE CC1CCN([C@H](CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c2ccccc2)CC1 1677172305 HFWQHMBMIHFHRO-KKUQBAQOSA-N 430.596 4.941 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)cc(OC)c1OC 1677637561 VPYLAMNZLIJWEV-ZDUSSCGKSA-N 438.446 4.733 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)c1ccccc1 1679252370 SESXEQBTOQTVTP-UYAOXDASSA-N 426.948 4.803 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CCCCOC)c1ccccc1)c1ccc(Br)cc1 1682303753 UAWSDPGTUPSUHJ-NHCUHLMSSA-N 429.358 4.981 30 10 IJEE CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 1685894308 HKYRVECEJMOFSV-MDOVXXIYSA-N 430.346 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCS1 1689838148 UBISHBYKYVLZSK-TZMCWYRMSA-N 439.810 4.715 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)c1cccs1 1690159414 ABURRULQZDQPSW-KRWDZBQOSA-N 448.621 4.961 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H]1CCSC1(C)C 1690214541 NQEBOFRYGLAWAG-UZUQRXQVSA-N 428.577 4.520 30 10 IJEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCCSC 1690224134 CLSREEKBUSWJLO-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1690236236 KDHDSTSPVRAYIB-MXNKGDRCSA-N 428.577 4.551 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cscn1 1690238979 PWWSYYWGJJDXPZ-VQIMIIECSA-N 429.977 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)CCSC 1690248632 OXUJXEXHKSCSCI-LSWJPFSZSA-N 428.646 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CCN(C(C)=O)CC1 1690258564 KOPDGXGQNGLDEM-UHFFFAOYSA-N 437.632 4.904 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@@H](CC(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690359226 WFLCKCAGKXFMOC-OKZBNKHCSA-N 438.016 4.674 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2nnc(C)s2)CC1 1690369715 UXUJIEAWEMGMKB-UHFFFAOYSA-N 438.601 4.735 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NC(C)C)CC1 1690424196 HEHHEDYUUZVJGD-UHFFFAOYSA-N 441.620 4.531 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCC[C@H](SC)C1)c1ccccc1 1690444145 BOAZQOPCHUJBGA-SFTDATJTSA-N 434.613 4.817 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1690649687 KABLQNWAHWLMNM-MRXNPFEDSA-N 431.378 4.822 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](OC)C1CC1 1695670866 HUAKTVRBYLAUTC-LJQANCHMSA-N 441.988 4.983 30 10 IJEE CCN(CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1695749681 BYHUOIQGFYZOGS-JOCHJYFZSA-N 447.414 4.866 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1c(C)noc1C 1705606045 IYAMISCFDVZMIZ-MRXNPFEDSA-N 428.540 4.670 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1=CCCCC1 1705613525 IPVAFNXPFOXACN-OAQYLSRUSA-N 441.620 4.743 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1705663509 KPCPRXAEOGWUDD-QGZVFWFLSA-N 431.675 4.902 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCN1CCCC[C@H]1C 1705675311 KFNUERVVYQGKDQ-YIXXDRMTSA-N 433.644 4.824 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN(CC)CCC 1705677902 HDZYPVCJDUDHSS-HSZRJFAPSA-N 446.064 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1705716646 QSHSGOWNMJCSEF-IBGZPJMESA-N 433.641 4.916 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1Cc1cccs1 1705722657 CPJVAXAZKPWSRY-HNNXBMFYSA-N 432.391 4.885 30 10 IJEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@H]2CC2(F)F)CC1)c1ccccc1 1705741021 DILJXPBAMHQACA-WIYYLYMNSA-N 446.542 4.587 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1ccccc1F 1705745516 CEBCPZPLRRJCDR-UHFFFAOYSA-N 438.732 4.606 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCCCC)CC1 1705778204 NOGGOLWZNSEKGS-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1705786458 ONFSCHNKEMLTQE-HOYKHHGWSA-N 441.551 4.861 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccccc1 1705787291 NLWWLLHIKAWNPL-HXUWFJFHSA-N 430.556 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1705793246 QMGMUUAPOWECCC-HXUWFJFHSA-N 431.584 4.869 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1C(C)(C)C)c1ccccc1 1705797975 HXDHVNGQNJRNEQ-QFIPXVFZSA-N 448.615 4.554 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705824617 VDOFEUGDPOVKIV-DENIHFKCSA-N 440.588 4.571 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1705825010 GSMXAYIKWWFTQE-NLFFAJNJSA-N 437.588 4.509 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1CCn1cc(Cl)cn1 1705856778 FJLFPPVFUSABHS-UHFFFAOYSA-N 440.979 4.687 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H](C)c1nccs1 1705868313 INFUFXDRMSPDGQ-KRWDZBQOSA-N 436.610 4.778 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](SC)C(C)(C)C 1705883049 TWLDOCYJKUHJNB-HXUWFJFHSA-N 439.629 4.910 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cnn(CC(C)C)c1C 1722361910 KDQNDFQOISEREK-UHFFFAOYSA-N 443.020 4.502 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1CC 1722422790 QQLHDWALIIGMAN-GOTSBHOMSA-N 431.559 4.869 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CC 1722467049 KWWGLDZLOZLYCI-VMODYCNZSA-N 449.643 4.901 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1722494080 LLVMIIZUSCCAOV-HRAATJIYSA-N 446.473 4.881 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C)cs1 1722502248 MJZHISNJJFHGFH-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCCC1(C)C 1722505308 NAURBQYYIOUZCP-HSZRJFAPSA-N 434.531 4.890 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1722529886 GRJNNWWYDIPPIQ-UHFFFAOYSA-N 438.494 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)C[C@H]1C 1722585817 KBGBVZJCROTTBU-QGZVFWFLSA-N 441.645 4.545 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCSCC1 1722597390 LLZZUTLTSPUEOM-UHFFFAOYSA-N 437.407 4.626 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722610232 NDGHRTDEOHOOAE-FQEVSTJZSA-N 446.599 4.653 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1722611680 VPQOEDVPSPLHKB-UHFFFAOYSA-N 441.645 4.682 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cc(Cl)ccn1 1722735080 LYBXDAQQMGZOGY-UHFFFAOYSA-N 429.977 4.558 30 10 IJEE CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1723170876 AQRGQLXDXIEFQK-ZEQKJWHPSA-N 434.632 4.834 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1724580541 HYHMEYWJLJWCKF-FQRUVTKNSA-N 434.632 4.894 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCCCCN1CCCC1 1740727681 VHYPJMJNZFADHR-XMMPIXPASA-N 426.008 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1cn[nH]c1 1740769921 YVGJTLXEAYBGEC-UHFFFAOYSA-N 449.784 4.729 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1740795604 YYDIYCMDBZTTCV-OAQYLSRUSA-N 448.970 4.899 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CC=CCO2)CC1 1740828518 NKEMJQFXXFXVNM-OAQYLSRUSA-N 442.991 4.753 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740835749 VLALILGHLHIWGN-LJQANCHMSA-N 439.604 4.851 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cn(CCCC)nc2C)CC1 1740836507 WDACXXNSCMDUBN-UHFFFAOYSA-N 429.572 4.573 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1740854444 GUWOBIHIOTYZHK-VJBWXMMDSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1740864666 NJKMQTQDBDFNEM-DEOSSOPVSA-N 431.584 4.761 30 10 IJEE C=CCCCCn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1740866720 LZIKMFWLKVEHMK-UUOWRZLLSA-N 428.552 4.549 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1cccnc1OCC(F)(F)F 1740891718 HMWZUGKSGCEVLV-LJQANCHMSA-N 445.489 4.827 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1740922242 ZBGOUCMQQOGBSV-UHFFFAOYSA-N 436.585 4.551 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)Cc1cccs1 1740930671 OQAFHNYRJVTSAC-QGZVFWFLSA-N 446.580 4.713 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)cc1OC 1740937198 CBIPPVVAJZVZKI-UHFFFAOYSA-N 443.551 4.842 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1cccc(F)c1 1740938533 IJYJVJAGZCAVAJ-UHFFFAOYSA-N 443.954 4.749 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1csc([C@H](C)OC)n1 1748687687 PDTZWFUYBQFLOB-SJORKVTESA-N 441.626 4.549 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 1749086143 HRYHWSCMWLFFGM-IBGZPJMESA-N 446.437 4.649 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 1749125743 XMYZXKXFEFGXEX-HNAYVOBHSA-N 447.352 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 1749137254 XEMOECNWLZOCPF-GCJKJVERSA-N 447.410 4.944 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1OCCC1(C)C 1749146630 KEDITSMVXKWVCY-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cccs1 1749355810 QNIZXCFIOFXYQJ-UHFFFAOYSA-N 444.626 4.649 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749416159 UVWSKLXVFNMEGZ-LJQANCHMSA-N 431.462 4.535 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)NC(=O)OC(C)(C)C 1749473621 DHWOZHCIRPRGQX-UHFFFAOYSA-N 437.947 4.663 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1Cc1ccc(OCC(F)(F)F)nc1)C1CC1 1749515029 PKVYTRZODPFVPI-UHFFFAOYSA-N 447.436 4.623 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1 1749530969 AUZZJFIZPBFDNP-FGZHOGPDSA-N 437.613 4.522 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1CC 1760245240 WSWMJJWSNWQNLJ-MJGOQNOKSA-N 445.405 4.620 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1cc(COC(C)(C)C)on1 1760330846 NYHSLTXHOSZDCP-UHFFFAOYSA-N 439.560 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCO[C@@H]1C(=C)C 1760331825 ZSTOETZBZJFVJF-NFBKMPQASA-N 432.572 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCCCC2)nc1 1760339769 VKVDBSSGFZKHDJ-UHFFFAOYSA-N 436.629 4.766 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1760341911 DNSOGKCTYYSYSW-IEBWSBKVSA-N 430.980 4.901 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCCN2CCC)CC1 1760406065 QKHUYIXWCDYTIE-QHCPKHFHSA-N 437.632 4.696 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1760420691 UFJSZJFSFCXKOW-SGIRGMQISA-N 444.627 4.543 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1760441608 OGPUQNXCDJWEEF-UHFFFAOYSA-N 436.629 4.543 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@@H]1CC 1760456874 ZBTGMVQWZRGUHC-VXKWHMMOSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1csc(C(C)C)n1 1760457431 RQHIYEWCYDWBQH-UHFFFAOYSA-N 433.528 4.991 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1760470199 XNKPILNIDWPCLW-SFTDATJTSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCSC(F)(F)F 1760481208 PXZRSZLHHLLAKH-QGZVFWFLSA-N 426.508 4.618 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCCc1cccc(C)n1 1760485059 QZYROVQBTFQOQH-QFIPXVFZSA-N 449.574 4.840 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOC(C)C 1760491361 DIOSNZULSZDWNC-UHFFFAOYSA-N 439.785 4.964 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCSC1(C)C 1760492839 IGEGAABDLVOXDD-HXUWFJFHSA-N 434.613 4.841 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1Cc1ccncc1Cl 1760497366 CHWLWTDYUIXCBX-UHFFFAOYSA-N 430.943 4.672 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760569531 QZIKYRYZOYZTLD-QHCPKHFHSA-N 448.608 4.557 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)C1 1761542392 HBJLJSNUOFWBHS-VFNWGFHPSA-N 434.371 4.809 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H]2C)CCC(C)CC1 1769782020 GGBADPFIUCZKKL-PXRUUTNOSA-N 437.588 4.559 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 1772793350 XNRCHAIFYNQHCX-UHFFFAOYSA-N 429.215 4.549 30 10 IJEE COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c1 1858203011 GYLGMBBYCYMYCU-UHFFFAOYSA-N 425.897 4.586 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc3c(c2)OCCN3C(=O)c2c(F)cccc2Cl)c1 1858473997 SLYHUNYWXXGYRH-UHFFFAOYSA-N 435.842 4.642 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4cccc(F)c4)cc3)CC2)c1 1860705645 AWLVFDIUFYFUPU-UHFFFAOYSA-N 428.463 4.936 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430618 NWLXPDXTUCVECH-IBGZPJMESA-N 425.893 4.886 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862451207 ZMBRSZYSKAHXGK-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2c(F)cccc2Cl)ccc1F 1862505866 UECJPQCQLVONME-JLTOFOAXSA-N 447.865 4.684 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862596153 SNJGNFNQWWYCAQ-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(F)(F)F)cc1 1862633559 MTEKIIAXXXPQJZ-LJQANCHMSA-N 447.409 4.668 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOc2ccccc2)cc1 1862674328 MALJHTJUGURCOT-HSZRJFAPSA-N 431.463 4.791 30 10 IJEE C=CCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2cc(Cl)ccc2Cl)C1=O 1863391565 PWQWJZVGEIVAPF-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccccc2OC)C1=O 1863766612 RGNBJWRWHFHAND-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(-c2ccccc2)n1 1867972303 NIKKKYCFHODNHO-UHFFFAOYSA-N 425.580 4.957 30 10 IJEE COc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccccc2C(C)C)c(C(C)(C)C)c1 1870145101 RYMUKSSHANFBQO-UHFFFAOYSA-N 447.539 4.586 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(CCOc1ccccc1)CO2 1871352537 OVCMJCJTFPNWDJ-UCQKPKSFSA-N 431.463 4.981 30 10 IJEE O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(C[C@@H](O)c2ccc(Cl)cc2)CO1 1871352948 IYMFLTPFALIYEX-IVZMSFFOSA-N 433.891 4.842 30 10 IJEE COc1ccc([C@H](C)N2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1OC 1871354083 GPJWGAUHEZTRRZ-WQKDKYNYSA-N 433.460 4.826 30 10 IJEE CCOC(COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)OCC 1871416189 QKTUZLGAZQYDMP-UKWGHVSLSA-N 446.883 4.601 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N(CC)CCO)n1 1871479520 XKDVIUZDCPDGIO-UHFFFAOYSA-N 428.625 4.717 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871966519 PBAODUGIOYGMCO-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE COc1cccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 1872762475 NWOBMMQWQYADHS-LKUPVBHCSA-N 445.544 4.605 30 10 IJEE Cc1cc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)ccc1F 1872772216 LQTMRYMMBSBHLX-SFHVURJKSA-N 447.491 4.752 30 10 IJEE C=CCOc1ccc(-c2nonc2NC(=O)COc2ccc(OC)cc2C(C)(C)C)cc1 1873438982 MZXBUNMVCBAEIY-UHFFFAOYSA-N 437.496 4.625 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1c(C(=O)O)[nH]c2ccccc12 1873500487 YAKRONBBYSNRBG-WYMPLXKRSA-N 437.500 4.724 30 10 IJEE CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cc(Cl)ccc1O 1874208326 BUJRUTSCDOSVCR-KEBDBYFISA-N 437.750 4.595 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cccc(OC)c1O 1874216586 XBIFUNCEYMPLMT-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE CCCCOc1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SC)cc1 1874287129 OZOFTWPJUQOYMV-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874291913 BYLSWHDVWXBDIG-DHRITJCHSA-N 447.564 4.908 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc(OCCC)c1 1874296655 LRKBRLBQJYMORE-XQNSMLJCSA-N 437.525 4.726 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874447266 XTNGZAIWESYPFS-WQZUMXOESA-N 430.574 4.868 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2F)c1 1874493946 MQDALKKCOFWFNE-DHRITJCHSA-N 437.544 4.915 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874530160 UPEVANPTOBLLOU-LSFURLLWSA-N 438.315 4.645 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccccc2)c1OCC(=O)NCc1ccco1 1874578215 BTKDGUXRJGCLMD-MDZDMXLPSA-N 425.868 4.533 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)cc2)cc1 1875129841 WLCCANXXTKJXQE-LICLKQGHSA-N 432.472 4.974 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Br)c1OC(C)=O 1875146814 DTZKIPWECYTGAZ-SOFGYWHQSA-N 449.297 4.686 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CCC3)c(OC)c2)cc1Cl 1875186861 DYPKVURDAPPLRQ-VQHVLOKHSA-N 430.884 4.967 30 10 IJEE COc1ccccc1OCC#CCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)on1 1891825712 IEEAXZJTCGVYTO-UHFFFAOYSA-N 438.483 4.829 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)cc(Br)cc2F)C1 1892683902 GHDJWZKYUYEKQM-MRXNPFEDSA-N 431.321 4.991 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)cc1F 1894896256 WSXBHKFXOWDYSD-IAGOWNOFSA-N 431.321 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCc2ccc(Br)cc21 1922073650 GDUHOESSMVOJGZ-DHIUTWEWSA-N 430.386 4.724 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3cc(Br)ccc3Cl)C2)OC1(C)C 1965474651 GWXUQGGLNAHVPQ-LBPRGKRZSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccc(C#N)cc2Cl)OCc2ccccc2)C1 1982822498 BXSPKQBPDOWUHZ-UHFFFAOYSA-N 427.932 4.765 30 10 IJEE C#C[C@H](C1CCC1)N(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1993810657 BHVHBPFEYPHKJR-FTJBHMTQSA-N 444.575 4.810 30 10 IJEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@@H](C#N)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022144398 JWEHNHJLGDPTEI-BTYIYWSLSA-N 436.557 4.852 30 10 IJEE CC(=O)Oc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080095087 OSJYXJCUKZAIBB-QGZVFWFLSA-N 436.350 4.922 30 10 IJEE O=c1cc(-c2cc(F)ccc2C(F)(F)F)[nH]c2c(Br)c(C(F)(F)F)nn12 2080948281 GPVYLBPBZPAANW-UHFFFAOYSA-N 444.104 4.629 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]2(C)COCCN2C(=O)OC(C)(C)C)cc1 2081184273 CMYVYVGLCAOMPW-NTKDMRAZSA-N 445.560 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](Nc2ccc(C#N)c(Br)c2)(C(F)(F)F)C1 2105981699 OQBROGYNGCJTAS-INIZCTEOSA-N 434.256 4.675 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2110495262 OJELMPXQFXXNLZ-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2118198915 MEHVWDZTOPZXRJ-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)CN(c1ccc(C#N)c(Br)c1F)C2(C)C 2174808789 RUYBQQUYRNKSDA-UONOGXRCSA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C)C(=O)Nc1cc(Br)ccc1C#N 2181043353 AUNOUSBOTBORJM-OXJNMPFZSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(Br)ccc1C#N 2181138903 HCMKDOGHIVIJLJ-XJKSGUPXSA-N 436.350 4.733 30 10 IJEE CCCc1ccc(C#C[C@H](O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2231181187 RPUUTXIWDPPBSN-LSYYVWMOSA-N 448.607 4.521 30 10 IJEE CCN[C@H](C#CC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408221 BTRHIFFRLKBJHC-RTBURBONSA-N 437.422 4.913 30 10 IJEE C=C(c1ccccc1)[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237418469 MSEFJPKKVPKOOD-PMACEKPBSA-N 431.374 4.926 30 10 IJEE CCc1ccc(C#C[C@@H](N)c2ccc(I)c(Br)c2)cc1 2239647016 QUYOIIHGDULDQD-QGZVFWFLSA-N 440.122 4.668 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2243924234 DCQPJBXHRCTSHF-CLJLJLNGSA-N 444.575 4.858 30 10 IJEE CC1(C)OB(c2ccccc2NC(=O)N(CCC(F)(F)F)Cc2ccccc2)OC1(C)C 2267631888 SPIQMQORLYVVPV-UHFFFAOYSA-N 448.294 4.972 30 10 IJEE C=CC[C@]1(COc2ccc([N+](=O)[O-])c(Br)c2)CCN(C(=O)OC(C)(C)C)C1 2287695816 UDNAACDWVNGYPI-IBGZPJMESA-N 441.322 4.939 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(OC)c(O)c2)C1=O 2293367053 FFZAHGTTWKYRAE-UHFFFAOYSA-N 431.897 4.598 30 10 IJEE N#Cc1ccccc1CN1C(=O)SC(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 2293779515 YCALJELHMLCQMB-UHFFFAOYSA-N 430.441 4.753 30 10 IJEE CC(C)c1ccc([C@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)cc1 2296098993 NVXOZJGJEZJESP-QHCPKHFHSA-N 432.520 4.540 30 10 IJEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)sc1C 2296132991 TVGDWDDPHYHZSH-GOSISDBHSA-N 440.908 4.745 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 2296223289 OOUMLGFZGTUFDQ-HSZRJFAPSA-N 429.472 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)C#Cc1ccc(Br)cc1 2296230120 QBYLMFFUOJHSOU-LJQANCHMSA-N 428.326 4.506 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(C)c(I)c1 2296253026 FPSONCGVULFVJR-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2296294780 XRMJOEMZRUMFJM-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@@H](N)C#Cc1ccc(Br)cc1 2296304423 HEBXOVUUJGGGRR-PKOBYXMFSA-N 447.398 4.724 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@]1(C)CCN1C(=O)OC(C)(C)C 2296306602 JHSJCVYPQZPGOD-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC)c(OC)c3)ccc2C1=O 2314438125 IGAMWPJNTGLWDD-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1cccc(NC(=O)CSc2nncn2N=Cc2c(Cl)cccc2Cl)c1C 2321229922 BLFBCODSQAOWKU-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE O=C(Oc1ccc(C=Nn2cnnc2SCCc2ccccc2)cc1)c1ccccc1 2321286840 AXHCYFPFOBGFAX-UHFFFAOYSA-N 428.517 4.714 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 2322238494 DAQFZNFPTUDGJO-UHFFFAOYSA-N 444.004 4.960 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccco3)C4=O)C2)cc1OC 2322421265 YPXYGWYXQMUZCJ-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323422664 BMDIZXKVQTWRAO-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE CCCOc1c(Br)cc(C=NS(=O)(=O)c2ccc(C)cc2)cc1OCC 2323456915 SPHQLANCYYKWSP-UHFFFAOYSA-N 440.359 4.753 30 10 IJEE COc1ccc(-c2csc(NN=Cc3cc(Cl)c(OC)c(OC)c3)n2)cc1OC 2323858676 ZYPKGNIHHFNIFV-UHFFFAOYSA-N 433.917 4.944 30 10 IJEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324077545 BWYYTZYFUCNONN-UHFFFAOYSA-N 430.460 4.857 30 10 IJEE CC(=O)c1sc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)nc1C 2325254657 UPFCWMPHUAWMOA-UHFFFAOYSA-N 448.500 4.596 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(OC)c4)c3C)C2=O)c1 2325575246 YLBVFJJELLOTNU-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OC(C)C)cc1 2326816713 ZZSWBWFXYCHGNL-UHFFFAOYSA-N 425.514 4.710 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc[nH]1 2330082068 KNZAKQMWRXNYMU-MRXNPFEDSA-N 432.509 4.841 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1cccs1 2330503130 ZTPNSPKLNBYYGV-UHFFFAOYSA-N 441.626 4.553 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 2330687345 BODRGMLFJTUETP-UHFFFAOYSA-N 428.444 4.984 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2331029883 BJJJADBDEDGNBI-UHFFFAOYSA-N 444.159 4.721 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2)cc1C 2331173978 UTBPNAZHGXRMAR-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)o1 2331201015 CXNNQUFJTJKLSJ-UHFFFAOYSA-N 440.456 4.621 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)cc1 2331306053 DUDFONUBCVLDTQ-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)(C)C)cc(OC)c1O 2331359071 XPAXNKMMYDOADB-UHFFFAOYSA-N 440.569 4.781 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339578192 DAAYBBSFPWHBQB-HYSAVQALSA-N 444.381 4.752 30 10 IJEE C[C@H]1C[C@H]1N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339599996 JSPXYHXAEZMSSE-KAZAESRKSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)NCCCC1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339601788 AZZGFXIDJHZYTG-RVDMUPIBSA-N 444.381 4.943 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197269 JAFPZPGIZSNIOF-GTAWCEEGSA-N 433.390 4.567 30 10 IJEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)c(Br)cn1 2362198401 HDPXDNCQCLIYEJ-INIZCTEOSA-N 436.281 4.998 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2ccco2)cc1 5921366 HTUPMZOYDLVEJF-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OCC)c1OC(=O)N(CC)CC)C2=O 7390351 FYXFOLSIXALUPB-STZFKDTASA-N 425.481 4.941 30 10 IJEE Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 20327854 YTHAIRYGJLQYGL-NRFANRHFSA-N 447.520 4.809 30 10 IJEE Oc1c(Br)cc(Br)cc1/C=N/c1ccc2c(c1)OC(F)(F)O2 59478050 CQHAJHBDWCBJRO-KPSZGOFPSA-N 435.018 4.989 30 10 IJEE CCCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1F 102770816 SZYOAAYHZWORAA-QZTJIDSGSA-N 426.598 4.583 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(N(C)C)cc1 169952781 JGZPYIPQYRFPIG-XMMPIXPASA-N 442.515 4.853 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccnc2)c1 170011598 IXTYAAJWNWBWEI-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc2c(c1)CCO2 170041107 AMGNIMFTDXANMO-QFIPXVFZSA-N 447.874 4.763 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1F 170073016 XFQNZABHLQRQRL-HSZRJFAPSA-N 441.462 4.804 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(O)c2)cc1 170080329 ANFLPZUOGNEDCZ-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2C)cc1 170087274 ISRDKFAGPLMIKQ-XMMPIXPASA-N 442.515 4.853 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OCC(C)C)cc1 170167308 DYBPOVUSLDCTLA-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1cccnc1 170195937 LNJOVSDDQVZJIA-HXUWFJFHSA-N 444.915 4.521 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)cc1Cl 170264269 VISBLFUIVYIRRM-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccco2)c1 170291082 KVPOLPGOGIBTQA-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303132 QCSZVQQXUDVOJB-IBGZPJMESA-N 438.823 4.933 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(C)[nH]c2ccccc12 170311891 OYPPLGCAIJNUED-OAQYLSRUSA-N 433.464 4.763 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2sccc2C)cc1Cl 170313221 GJVDVMFMNRBDCI-SFHVURJKSA-N 449.956 4.722 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1sccc1C 170316946 LXCLVYNTVZFDAA-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccccn1)c1cccs1 170350512 IVRGECGUNLDALU-KRWDZBQOSA-N 446.406 4.825 30 10 IJEE O=c1c2c3nc4ccccc4nc3n(N=Cc3ccco3)c2ncn1CCC1=CCCCC1 254516308 DDOIMADFVLGKHN-UHFFFAOYSA-N 438.491 4.660 30 10 IJEE N#CCOc1cccc(CNc2ccc(I)cc2Br)c1 380052252 RKPKURZYFCNZPD-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)CC1 446626200 BIMUYQQEWGGNQZ-AFMYVXGZSA-N 440.931 4.510 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@H]1CCCO1 461055598 JZEXIRYJVFPRAW-DSITVLBTSA-N 444.579 4.895 30 10 IJEE Cc1c(Br)ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1F 469214081 WFFDSSTYIPQFNL-UHFFFAOYSA-N 444.304 4.732 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 508498719 URYCFFRBDGGVMN-UHFFFAOYSA-N 441.535 4.585 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OCC2CCCC2)CC1 508897922 ZTGUVLROXQJUDL-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1 508955721 JCCFSSAXCAKUKV-UHFFFAOYSA-N 431.515 4.979 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccnc2)cc1OC 526604367 IIPZPYHARZHLEI-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)cc2)cc1OC 526607332 VAMCKCOFEWJZHS-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccc([N+](=O)[O-])c1 526820972 SJWQBUZJLUVIMX-JAIQZWGSSA-N 446.330 4.686 30 10 IJEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(C(=O)OCC)o2)c1 526829835 BXGFASVSRABTSB-UCQKPKSFSA-N 442.541 4.710 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(C2CCOCC2)CC1 549274222 MKSXQLNTWSFKRI-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2ccnn2C)CC1 549665879 ZXUCMBMFAXXKHQ-FQEVSTJZSA-N 434.588 4.729 30 10 IJEE N#Cc1cccc(Cc2nc(-c3cc(Br)sc3Br)no2)c1 562559964 RPXBAIWOKKPCFO-UHFFFAOYSA-N 425.105 4.786 30 10 IJEE CCc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 586229191 PRYUHBGBLJUQHC-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE COc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2F)c2c[nH]c3ccccc23)cc1 609253908 BEBVOUUYZHNCTH-JOCHJYFZSA-N 442.494 4.819 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 672239833 UWSGGRURFXEQOZ-IBGZPJMESA-N 449.521 4.699 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@]1(C#N)CCc2cc(Br)ccc2C1 698461582 ZHABYTFEVZZOGG-WIYYLYMNSA-N 435.362 4.616 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(NC(=O)c2ccc(F)cc2)cc1 728247181 NPWYBQMULPILQC-QHCPKHFHSA-N 432.451 4.959 30 10 IJEE C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(N2CCCC2=O)cc1 734321482 YYZXPPVGELTGFS-IBGZPJMESA-N 439.515 4.755 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 735343512 IOZVARXKKPDQLD-HNNXBMFYSA-N 441.940 4.812 30 10 IJEE N#Cc1cnc2ccccc2c1OCCOC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741435953 LUTGIDSHNYGUKO-QZTJIDSGSA-N 442.393 4.731 30 10 IJEE C[C@H](OC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)NC1(C#N)CCCCC1 764060045 VHMHZMOECAORPM-XDUBLRSXSA-N 428.838 4.560 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)Nc1ccccc1F)=C(/O)c1ccc(C#N)cc1 777511317 PCYXRYCYRDIAHK-UHFFFAOYSA-O 440.907 4.976 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)c1 782830549 BWOYDKYFOBPLGP-UHFFFAOYSA-N 440.503 4.918 30 10 IJEE N#Cc1ccccc1N=c1scc(-c2ccc3nc(O)oc3c2)n1CC1=CCCOC1 804888726 ZTMUMUQIINGUPN-UHFFFAOYSA-N 430.489 4.514 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 812178468 BLQUTWYTUBSARK-NLFFAJNJSA-N 437.588 4.686 30 10 IJEE C[C@H](OC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 919509915 FABRXJCQBLOHPW-NWDGAFQWSA-N 434.970 4.813 30 10 IJEE C#CCCCC(=O)Nc1sc2c(c1C(=O)c1cccc(OC)c1OC)CC[C@H](C)C2 1124089802 IWFGGSIJZAJFIE-HNNXBMFYSA-N 425.550 4.863 30 10 IJEE C#CCCOc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)cc1 1125289560 KJFIUNUPJHJACI-OAQYLSRUSA-N 428.326 4.677 30 10 IJEE C=CCn1c(SCC(=O)Nc2cnc3c(c2)CCCC3)nnc1-c1ccc(Cl)cc1 1128025965 PISOSKVRGSQEKL-UHFFFAOYSA-N 439.972 4.789 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(C#N)c2)[C@H](c2cccc(Cl)c2)C1 1128417310 GSVCAVBRYGEPDK-FQEVSTJZSA-N 443.906 4.785 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(OCc2csc(C)n2)c1)c1ccc(Br)cc1 1129608596 GXSQZHBRGSPAHD-HXUWFJFHSA-N 441.350 4.897 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)COc1ccccc1Br 1129702949 SMIWNHDFXUVIQE-UHFFFAOYSA-N 441.119 4.794 30 10 IJEE CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1136193038 DGWVIZLQBAHCBH-QHCPKHFHSA-N 444.491 4.635 30 10 IJEE C=CC1(CC(=O)N2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)CCCCC1 1141808749 RBFIGWYXRYKRFT-IFMALSPDSA-N 434.621 4.824 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1143719742 FLCORYZRQBUYSC-WNJRYGEDSA-N 429.442 4.597 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1152319418 HLNMFUFFCJMDOX-RDTXWAMCSA-N 443.371 4.705 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1Cl 1156300218 KDEDXEQUDWTLSK-KRWDZBQOSA-N 448.972 4.720 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)cc2n1 1161854145 IJZCERWZRPUKIX-UHFFFAOYSA-N 435.665 4.799 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@@H](C(=O)OCC)c1ccc(Br)cc1F 1167251132 AXSNDTRFSXRUHK-HXUWFJFHSA-N 431.305 4.752 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@@H]1C 1188063112 TYTMLRRCXNJDHQ-BBTUJRGHSA-N 425.598 4.686 30 10 IJEE C=CCCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)OCc1ccccc1 1193564477 SJJHZNXGNRDLSB-UHFFFAOYSA-N 437.323 4.728 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC(CC)(NC(=O)OC(C)(C)C)CC3)cc21 1220204155 CPXOFHJUVREZBT-UHFFFAOYSA-N 427.549 4.524 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1 1224523232 STBBSJPSNCUIGL-PMACEKPBSA-N 431.458 4.595 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)CC1 1226797038 JQZRENIPOFNGKW-NRFANRHFSA-N 434.422 4.500 30 10 IJEE C#CCN(C(=O)NCc1ccc(Br)c(Br)c1)C1CCCCC1 1255829692 INTWBZSHENNFCP-UHFFFAOYSA-N 428.168 4.689 30 10 IJEE C=CCC1(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCC1 1272417066 SDXUCFVHWJVZTF-SAPNQHFASA-N 434.652 4.982 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CSCCS1 1286362279 DBHDLOXBTCRFRN-ZDUSSCGKSA-N 435.043 4.731 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1286456765 VJTBRLQSVCAAPK-NZQKXSOJSA-N 449.574 4.893 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](OC)C(C)C 1286458748 BJMWFUSAIZXSEA-KRWDZBQOSA-N 447.004 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(CC)[C@H](C)C1CCC1 1286563745 DWYYLILLBBBFTR-FPGHNAPASA-N 442.579 4.992 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286584506 MBDHCAJADJZLBB-LEWJYISDSA-N 435.547 4.978 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1286663951 MRTHERAFKRAVTB-FQEVSTJZSA-N 441.595 4.521 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286705294 XBJHNRGHZKMOTE-WOJBJXKFSA-N 447.027 4.854 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1286721687 CQRNGHHTUKOBAH-DENIHFKCSA-N 434.588 4.594 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C)C1CC1 1286731610 BSABQCSXSHGRDS-ZWKOTPCHSA-N 432.012 4.793 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)[C@H](C)CC)C1CC1 1286734728 FYYHISDGFVKFSJ-VFNWGFHPSA-N 433.394 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(OC)CCCCC2)C1 1286800737 PXOXNRJKYMIDAD-PKTZIBPZSA-N 438.616 4.951 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1sc(-c2ccc(OCC)cc2)nc1CC)C(=O)OCC 1287776335 ISRDLVXXNYFVEO-KRWDZBQOSA-N 436.961 4.575 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)s1 1292550691 DLJJYJPDWHOEMR-JTSKRJEESA-N 435.597 4.913 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCC1CCOCC1 1300790544 SFCRYVYGFXZCNJ-XMMPIXPASA-N 442.991 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCC1(C)C 1300914072 BBNBLRMFPCSVGG-OAQYLSRUSA-N 437.636 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@H]1C 1300925850 HDRKLJHRWUDUHC-WTGUMLROSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1301148303 NNXFUHQJWLAFSE-DHIUTWEWSA-N 437.632 4.833 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1301164588 BFSIXVFERHQDFE-UPVQGACJSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C2CCOCC2)C1 1301197351 IUKWMONATUOJHI-YPAWHYETSA-N 430.637 4.806 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)C(F)(F)F 1301305232 STZMAGRXCYSXSI-UHFFFAOYSA-N 447.299 4.830 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1301438528 UAGBFIGALCFMJZ-FQEVSTJZSA-N 445.386 4.707 30 10 IJEE COc1ccc([C@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCN2)cc1 1302181744 BUGJQJBWIYYSAY-HSZRJFAPSA-N 447.922 4.799 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(SC(F)(F)F)c1 1303777083 KCLFMJPRLWTYIO-CJNGLKHVSA-N 430.492 4.782 30 10 IJEE CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)c1ccc(C#N)[nH]1 1303785962 BWLIZVBMNQIVTE-UHFFFAOYSA-N 428.261 4.852 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1307313556 AIIMYBMKLLWYLE-LJQANCHMSA-N 448.592 4.933 30 10 IJEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1314756671 GQIWRNCAARBXIW-UHFFFAOYSA-N 438.413 4.508 30 10 IJEE CC[C@H]1[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1C(=O)OC(C)(C)C 1355839818 GJZLBLJNTLKVLP-UXHICEINSA-N 436.512 4.720 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 1357804479 XFAUQRALYJQPAW-LBPRGKRZSA-N 428.248 4.849 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1359049526 RFIMUVGORDVMDE-PXNSSMCTSA-N 428.602 4.517 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1359086471 XTABHXMKGDHGMC-UHFFFAOYSA-N 448.365 4.507 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1359168750 HSARPGPADQZDTP-YADHBBJMSA-N 437.632 4.696 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOCC2(CC2)C1 1359183365 JMKGPUMEWBWIQK-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccnc(SCC)c1 1359264219 YQHZZZRTXRAEBQ-SFHVURJKSA-N 441.626 4.591 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC(F)(F)F)cc1 1359270759 ARSJVTQIOOQETE-IBGZPJMESA-N 436.478 4.839 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3ccccc3n2)n1CC(F)(F)F 1359276365 AJXQURKHJNRMQE-UHFFFAOYSA-N 427.430 4.884 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1CC1(O)CCCCC1 1359277664 SCIGYGQCXAESLO-UHFFFAOYSA-N 438.547 4.531 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1359289956 XGBIZDFWJBGDJJ-DOTOQJQBSA-N 439.387 4.991 30 10 IJEE Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1359925583 HYNVEFGJYZEWIW-LJQANCHMSA-N 445.542 4.954 30 10 IJEE C[C@H](NC(=O)c1cc2ncc(Br)cn2n1)c1ccc(-c2cccc(C#N)c2)cc1 1435858276 DRMGRPZOGBDKLQ-AWEZNQCLSA-N 446.308 4.521 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)cc1Br 1436134047 GOMZKCHNBGZVGG-UHFFFAOYSA-N 428.305 4.992 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 1443629205 HHRWSXURCRYTJV-ROUUACIJSA-N 436.524 4.572 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(c3c(Br)cccc3C#N)C2)C1 1458385253 HWWKLOROFWVNQS-SJORKVTESA-N 434.378 4.794 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(COc4ccccc4)CC3)c2C#N)C1 1459341283 CIIYJIVJOXXYPH-GOSISDBHSA-N 437.609 4.864 30 10 IJEE N#Cc1cccc(N(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C2CCC2)c1 1461558933 IECLIBCWRDVQSZ-UHFFFAOYSA-N 427.957 4.711 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1OC 1462554489 HGNIGWSHRPABDN-XXBNENTESA-N 436.980 4.935 30 10 IJEE C#CCN(C(=O)c1nc(Br)ccc1Br)[C@@H]1CCCc2ccccc21 1463022617 XWGJBTKWRAVFTQ-MRXNPFEDSA-N 448.158 4.760 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 1466914945 PBGPJNJIEILKGU-NRFANRHFSA-N 445.357 4.553 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 1467639899 XDAZQXARTLFHFT-WNCULLNHSA-N 446.639 4.943 30 10 IJEE C=CCC[C@H](NC(=O)C1(c2ccc(Br)c(C)c2)CCCCC1)C(=O)OCC 1468127916 NVBWAVUFEZESDN-IBGZPJMESA-N 436.390 4.974 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 1475972437 DFCKXTNGHKPSQJ-QFIPXVFZSA-N 445.560 4.685 30 10 IJEE C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1477256912 GIWBWQNDJWZKAK-IFXJQAMLSA-N 436.408 4.817 30 10 IJEE C#Cc1ccc(CNC(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc1 1477759404 SCKMCOHANZMIEG-UHFFFAOYSA-N 434.923 4.779 30 10 IJEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1)C(C)C 1503969858 CWVNEEKARCFUKT-IBGZPJMESA-N 435.494 4.657 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)CCOCC1 1505188901 FODNIZVCFLAWCH-SFHVURJKSA-N 439.629 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC(C)CC1 1507548532 VDIRXIZZEPZGIO-OALUTQOASA-N 446.064 4.802 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(C)C)CC1 1507579034 JJUZYZZKVSNZAN-UHFFFAOYSA-N 428.005 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@H](SC)C1 1507793605 FAHFXQBNWNOYTI-BJLQDIEVSA-N 448.036 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCSC1 1507815857 LYFHIJOZKUIFBS-SFHVURJKSA-N 430.618 4.898 30 10 IJEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1507842792 LMWKKPKULUXYTP-UHFFFAOYSA-N 437.441 4.660 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC2(CCC2)C[C@H]1CC 1507857405 MIDWXUAUWWMFLC-OAHLLOKOSA-N 438.801 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1507858687 HOTALMJDRWCGKQ-FQEVSTJZSA-N 444.023 4.736 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC=C(C)C)CC1 1507898455 RUTLYYWJEHRGLE-UHFFFAOYSA-N 426.561 4.730 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](c1ccco1)N1CCCCC1 1507981118 MPQFLAUXBDZBOC-OAQYLSRUSA-N 441.526 4.590 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)c1ccsc1)C1CC1 1507995338 IDBOAKJTRAKBFW-DEOSSOPVSA-N 438.597 4.598 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1508038705 BUJIXGWPOPVEGB-IRXDYDNUSA-N 438.494 4.886 30 10 IJEE CC[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCOc1ncccc1F 1512853254 FEOSDFIRKHTVNS-SFHVURJKSA-N 446.530 4.570 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(OC)ccc1Br 1516589082 YOZWDGAYXUMKSK-UHFFFAOYSA-N 444.247 4.971 30 10 IJEE COc1cc2c(c(OC)c1)N(C(=O)c1ccc(OCc3ccccc3C#N)cc1)CCC2 1525531857 CRSPIOAYRUSOSF-UHFFFAOYSA-N 428.488 4.747 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)nn1-c1ncccc1Cl 1528714240 HWOOMUSQEQUORD-OAHLLOKOSA-N 445.748 4.600 30 10 IJEE C#CCOc1ccc(C(=O)N2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)cc1 1535299939 VMSXQLMAYBTVLR-MHZLTWQESA-N 430.592 4.996 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cc(C(CC)CC)no1 1538970126 ACQFKCHGARHEJR-DLBZAZTESA-N 439.535 4.955 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(CC)s1 1539295676 DVYODOZSWNVESS-GOSISDBHSA-N 436.556 4.692 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccc(C)s1 1539320590 WIHPGRBWTGSKOZ-UHFFFAOYSA-N 448.592 4.624 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1Cc1ccccc1 1539504494 IDPKPRRZUMUFRW-HXUWFJFHSA-N 438.000 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1539654872 GUJPSGHGRNMFSB-KKSFZXQISA-N 433.394 4.661 30 10 IJEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 1539729016 CEYDXLKQWYQLNL-FQEVSTJZSA-N 437.268 4.990 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1539811064 ACWDUIBVIJZXPX-NRFANRHFSA-N 442.032 4.784 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC2CCCCC2)CC1 1539916807 OEBYXVJJZKWGQC-JOCHJYFZSA-N 429.653 4.824 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](COC)C1 1539952941 BRXIOUDGBXKHSY-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1539990024 CKAUBZKHWRXGGK-KRWDZBQOSA-N 444.505 4.532 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)c1ccccn1 1540182656 SMHHYNGEEKSMKQ-JOCHJYFZSA-N 431.584 4.738 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCC[C@@H]2C)C1 1540885185 DBGJDHSZAIQPTO-NZQKXSOJSA-N 437.632 4.508 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2cc(C)ccc2OC(F)F)C1 1540891666 XYJZAFZPQBWRPO-IBGZPJMESA-N 432.515 4.675 30 10 IJEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCC(F)(F)C1 1541452169 FAPKGWGVNCNBJJ-LJQANCHMSA-N 443.542 4.831 30 10 IJEE C#CCCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1543419069 XWNKCMPXLPUDOH-RUZDIDTESA-N 430.548 4.614 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(Cl)cc2SCCC(=O)OC)cc(OC)c1OC 1544092845 MMJLWKDTVUFOFA-UHFFFAOYSA-N 449.956 4.993 30 10 IJEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)Nc1cccc(Cl)c1 1548414380 SNBDXNUWDLMPCK-KDOFPFPSSA-N 437.849 4.568 30 10 IJEE C=C[C@@H](CC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1556356812 JQDOQSGCVFOOFY-SCLBCKFNSA-N 442.275 4.977 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 1557129545 ABNRHFFTXIISIO-INIZCTEOSA-N 449.436 4.970 30 10 IJEE C=CCC[C@@H](NCc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(C(F)(F)F)cc1 1559687759 WJZKLNMRWRNZSS-QGZVFWFLSA-N 432.533 4.814 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 1562352191 YHUDXSQTUHXCRR-LRDDRELGSA-N 429.439 4.765 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](CC)Oc1ccccc1Cl)c1ccc(Br)cc1 1564247814 DEYSCMZYPZKATK-AEFFLSMTSA-N 435.749 4.934 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 1564798414 KEESJOKFLWVFNR-HSZRJFAPSA-N 432.499 4.665 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C 1585342150 YVPZBFLQDFSRCB-QGZVFWFLSA-N 444.494 4.939 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1C1CCC1 1588983687 BOPVYVRBJZVNHX-UWJYYQICSA-N 428.577 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOc1ncccc1F 1589177563 LIIKLZKHBDYHSQ-AREMUKBSSA-N 447.558 4.848 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cscn1 1589506550 XWACINGXJYZUCH-LPHOPBHVSA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1589657368 AYIMMQWVNRPZCJ-LJQANCHMSA-N 442.604 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCCc1nc2c(s1)CCCC2 1589657496 DYOGAYHPFGJTNC-SFHVURJKSA-N 429.634 4.543 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1593722500 RSTTVDHSLGOJJK-GOSISDBHSA-N 432.996 4.975 30 10 IJEE C=C(Cn1c(COCC)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1)c1ccccc1 1593796476 TVTHYPAVYLZZDP-HXUWFJFHSA-N 437.613 4.931 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1594608520 NLNOAJAAXGDVSX-UHFFFAOYSA-N 448.615 4.866 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cc(C)cs1 1595500674 BABMUQPNCSLYLB-UHFFFAOYSA-N 437.613 4.551 30 10 IJEE CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1602714708 HCNRMHZBRBNOAT-WHSBFGAESA-N 434.632 4.832 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(CC)[C@H](C)Cc3ccc(C(F)(F)F)cc3)cc2C1=O 1618348900 HEABVTJEHNUJBC-OAHLLOKOSA-N 444.453 4.581 30 10 IJEE N#CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccsc2Br)CC1 1620354471 GBQLFGXSYDJALA-UHFFFAOYSA-N 434.407 4.623 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)CCC1 1622922380 KMOZMFXUEBPIFR-UHFFFAOYSA-N 429.879 4.808 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)cc1 1623010524 BWHMKYLSFPFZKD-NRFANRHFSA-N 439.512 4.847 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC)ccc1Br)c1ccc(Br)cc1 1623013297 XEBMSGPTGXTNMU-HNNXBMFYSA-N 438.119 4.716 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccccc2F)C[C@@H]1C 1625539266 UMTYYESALYJYLV-HNNXBMFYSA-N 448.336 4.896 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O 1626325149 PTGAMYOCNFYCHK-FQEVSTJZSA-N 436.458 4.840 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1629187132 XVRIESLQBHPSCJ-FXAWDEMLSA-N 426.561 4.519 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3NCCc3ccccc3)n[nH]2)c1C 1632633936 OWXFQQDYIHBWIX-UHFFFAOYSA-N 440.551 4.983 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1633697205 KBXPRGUZZGGKBS-OXQOHEQNSA-N 432.351 4.585 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c1 1633779992 HWEJZWLDYBMQPM-HSZRJFAPSA-N 425.594 4.908 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC(F)(F)F 1634498553 OTIAJITYQWAGBW-OAQYLSRUSA-N 446.469 4.929 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)c1ccc(Br)cc1 1636541277 BSDJZRACUAJMOF-UXHICEINSA-N 431.761 4.558 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CN(CC1CC1)C(=O)OC(C)(C)C 1637678635 PBDWAPSBJGGGHK-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE C=CCNc1ncc(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)s1 1640059067 KALFKXLGGVHCTE-IBGZPJMESA-N 425.476 4.877 30 10 IJEE C=C(Cl)C[C@@H](Nc1nc(-c2cccnc2)nc2sc3c(c12)CCC3)C(=O)OCC 1640271628 ACHYFTAWVJBBCB-OAHLLOKOSA-N 428.945 4.728 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1643543228 LJTGODKFMTVJTM-QGZVFWFLSA-N 425.326 4.721 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)C)nc2scc(-c3ccccc3)c2c1=O 1652458601 KXXAEJJFZVBRLK-UHFFFAOYSA-N 427.595 4.565 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cc(Br)ccc2Cl)cc1 1656933053 BOZIVPMDDSMRBY-UHFFFAOYSA-N 429.767 4.521 30 10 IJEE CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNS(=O)(=O)N(C)CCC#N)CCC[C@]21C 1660114516 GJODQLWJWKXVLI-WXFUMESZSA-N 431.646 4.500 30 10 IJEE C=CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)[C@@H](C)COC 1665560254 MUMFJKIWVQXOMY-LAUBAEHRSA-N 448.032 4.733 30 10 IJEE CSc1cccc([C@H](NS(=O)(=O)c2ccc(C#N)s2)c2cc(F)ccc2F)c1 1667649227 CDOBDKQQSUGEJR-IBGZPJMESA-N 436.530 4.688 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Cl)c1OCCOC)c1ccc(Br)cc1 1667962191 FFSOZBIVYWZBGD-MRXNPFEDSA-N 437.721 4.624 30 10 IJEE C#CCC[C@@H](O)CNC(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 1669605062 VQYJPXYIOZQBLI-OAHLLOKOSA-N 437.721 4.791 30 10 IJEE COC(=O)CC1(NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCC1 1673090498 GMIUPFPQLYSBRX-UHFFFAOYSA-N 430.320 4.583 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(C)C 1675585381 WEBUPGHMOBVVTL-OAQYLSRUSA-N 439.431 4.524 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 1680303275 RAZSSZXOJQOMBO-OAHLLOKOSA-N 430.321 4.789 30 10 IJEE C=CCC[C@H](NC(=O)NCc1nc2c(s1)COCC2)c1ccc(C(F)(F)F)cc1 1680633584 QADCAGIQEHUCTE-HNNXBMFYSA-N 425.476 4.741 30 10 IJEE C=CC[C@H](CO)CNC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 1684301774 SGNXNCQYYKHQOB-XOBRGWDASA-N 425.331 4.900 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1689933968 FGONQBQJMJIRDZ-QFIPXVFZSA-N 435.597 4.787 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)OCCc2sccc21 1689953852 BQFDCVDLTPWOOU-OAQYLSRUSA-N 447.391 4.871 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1690180631 IJPJETXGUZHKOL-UHFFFAOYSA-N 438.641 4.733 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1OC 1690196776 XPFHONSCUKUTDV-LRXVAGHRSA-N 443.389 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1690244867 ABJQOAQPLVOBTF-XKRYSZRTSA-N 434.650 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc2c(n1)CCCC2 1690259779 WJUUTXRQUFXLKO-UHFFFAOYSA-N 447.583 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nccs1 1690259866 ZSVGHPHVLBTXKT-UHFFFAOYSA-N 448.390 4.623 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690294618 QZVQSGSFEYKNPI-UHFFFAOYSA-N 448.615 4.780 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)[C@@H](C)C1 1690319066 BWTNXPZDMVGLNG-HOTGVXAUSA-N 439.387 4.849 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1690444707 KZXCGANWGPCTGD-ZRCGQRJVSA-N 433.625 4.954 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccco2)C1 1690472624 ROAZRINVYUUZQD-HNNXBMFYSA-N 430.350 4.599 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1Cc1ccccc1 1690502605 AMEBQTFYGALSLR-NRFANRHFSA-N 437.975 4.798 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC2CCCC2)nc1 1690586443 MSRHAQQZOSYJLB-UHFFFAOYSA-N 440.551 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1690588329 RKDVLPNPOLPMIU-QGZVFWFLSA-N 429.565 4.670 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1Cc1ccc(F)c(Cl)c1 1690607985 XTYNWWQEOOIXON-UHFFFAOYSA-N 439.922 4.953 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)(C)C)CC1 1705511859 IFDUROVQTJCFCR-UHFFFAOYSA-N 434.415 4.976 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1nc(C(C)(C)C)cs1 1705550045 RLXWOKRKUMGTQK-UHFFFAOYSA-N 446.580 4.666 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCCS1 1705585344 CNNDHHOIJIZLLS-OAQYLSRUSA-N 449.407 4.522 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@H]1C 1705604112 FOODBLMPHNFRKM-FYYLOGMGSA-N 437.632 4.759 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H](C)c1nccs1 1705689468 NKKJXRTYJLUFNB-GFCCVEGCSA-N 438.420 4.535 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1705778135 LBSYSCTUKMAZSM-IFMALSPDSA-N 439.560 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1705788551 DYXQDCFWDZQWPY-QFIPXVFZSA-N 437.632 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1705793404 WTLCLGJDGUKQSK-UHFFFAOYSA-N 427.612 4.921 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@@H](F)C1 1705856815 GXXXJAHLTXFSPU-FCHUYYIVSA-N 435.547 4.603 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCC[C@@H]1OC 1705882382 VJBRTAGEQFRSFI-NSHGMRRFSA-N 444.645 4.585 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1Cl 1705889836 HEFFVSUEZAFZRP-GOSISDBHSA-N 445.995 4.868 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1CC 1722421860 UYPFOXOWMTYNRK-IBGZPJMESA-N 448.636 4.828 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1722451120 GGETWMJPKQJLQZ-ZWKOTPCHSA-N 430.593 4.796 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1722569701 KTTCPOHREFBVFV-AUSIDOKSSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722586803 ARWWTYPFXANKEZ-GDBMZVCRSA-N 436.478 4.911 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC1(C)C)c1ccccc1 1722595510 WZTSIFIHZABUDY-FQEVSTJZSA-N 430.556 4.664 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2sc(C)nc2C)C1 1722713495 CCWGCZHOYZSJJL-KRWDZBQOSA-N 444.004 4.696 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1 1722736189 XNMQBPKQGBXGQQ-NRFANRHFSA-N 437.613 4.582 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1726841979 FAKLHVPKHLCTDX-VWKPWSFCSA-N 436.025 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)Cc1ccccc1 1740539606 QEFWFOGNLSMOPB-WOJBJXKFSA-N 447.652 4.721 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(c2ncc(C)s2)CC1 1740574260 XEEGPUHNTSSMMV-UHFFFAOYSA-N 437.588 4.960 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C 1740575402 NTFVLJWNQWMMGV-PMACEKPBSA-N 443.636 4.821 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740739831 BMKLVCGMLQNEFE-NRFANRHFSA-N 449.393 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1740842718 JUWJAMAFPVXTEZ-UHFFFAOYSA-N 449.643 4.983 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1740849555 NDZMTWYPOPXNOP-HSZRJFAPSA-N 430.600 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1cccc2c1OCCCO2 1740923590 PVEIGXLFXNXRKG-UHFFFAOYSA-N 438.597 4.940 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1N(C)CCCC1(C)C 1740923792 VYOGZHJCGSURIS-CTNGQTDRSA-N 443.661 4.547 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740944686 WDAJHMQPKFIASD-IRXDYDNUSA-N 431.378 4.537 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC(c2nc3ccccc3o2)CC1 1741002170 JBRHNIIMPQDYPA-UHFFFAOYSA-N 425.602 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CCOC)CCCC1 1748667688 YIEHYBLBERYZFT-IBGZPJMESA-N 433.556 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCc1nccs1 1748687424 JUAWWSCDVMRZAO-HNNXBMFYSA-N 432.018 4.771 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1C 1748833704 WTEGBZMHHRXGAF-IBGZPJMESA-N 428.605 4.869 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1oc(CCC)nc1C 1748908199 VQADGVHVECFESK-HXUWFJFHSA-N 435.572 4.792 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1749102137 JLNDUGMXOGMCNI-AWEZNQCLSA-N 443.748 4.510 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749130497 MBLVMMMPEVLSHF-WMZHIEFXSA-N 444.645 4.825 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1749255667 GSWRGKTYFLRCBF-DYVFJYSZSA-N 437.769 4.848 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749355460 JLDBGRJEHGLVGT-XFAGBWLFSA-N 445.007 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1749369215 YVMMLHKOVOXZNB-UXHICEINSA-N 431.669 4.990 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CCC1 1749430354 SANMJWSFSKPDPG-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCSC1(C)C)C1CC1 1749511332 VADIFOLGPYCNRJ-KRWDZBQOSA-N 428.602 4.649 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 1749710704 ZXTVOAOEVBVLFO-ZEQRLZLVSA-N 437.632 4.582 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H]2CCC[C@H]21 1749749980 USUOECSAILWJIR-SUMWQHHRSA-N 437.382 4.755 30 10 IJEE N#Cc1ccc(-c2nnc(N3CC[C@H](c4ccco4)C3)n2CCSC(F)(F)F)cc1 1750382147 BMEMFHPIPCLIHO-INIZCTEOSA-N 433.459 4.657 30 10 IJEE Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCSC(C)C)C2)n1 1751829895 HBNKZQIKCMIILH-JOCHJYFZSA-N 449.628 4.613 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1760136645 AXCKGRVBXULPCW-WOJBJXKFSA-N 441.645 4.940 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C(CC)CC)no1 1760220442 JBJXCAJKZRMNIJ-UHFFFAOYSA-N 449.986 4.925 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCN(C)C(C)C 1760297763 HPUXRGQRCGVJCJ-XMMPIXPASA-N 425.646 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC(C)C)C(C)C 1760319000 KKSGPSFRJLVLGE-UGKGYDQZSA-N 426.561 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CCc1nc2c(s1)CCCC2 1760338679 OQGDZXPOUZZKFY-UHFFFAOYSA-N 439.604 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)N2CCCCC2)CC1 1760385260 OGZDSDKRLVDSJS-UHFFFAOYSA-N 435.616 4.802 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760422517 JBNFDDFGNQDAHT-SFHVURJKSA-N 435.538 4.937 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1760442081 FPDYECYSFYNWLF-LJQANCHMSA-N 439.560 4.716 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N[C@@H](C)CC 1760454932 USYCMXUPXQALHV-AWEZNQCLSA-N 431.993 4.740 30 10 IJEE CC(C)c1nc(CCn2c(-c3cccn3C)nnc2N(C)Cc2ccc(C#N)cc2)cs1 1760885902 CRNNXDMAAMBBSC-UHFFFAOYSA-N 445.596 4.614 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@H](C)OC)n2)C1 1762450221 BWCOEJUNFASEEF-HJPURHCSSA-N 436.585 4.655 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCOC(C)(C)C)CCC1 1762541936 DNVAYGRKRVEOFL-UHFFFAOYSA-N 425.577 4.560 30 10 IJEE CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 1765601175 CRCBNWTVRXFLJM-NRFANRHFSA-N 448.615 4.528 30 10 IJEE COc1cc(/C=C2/SC(=Nc3ccccn3)N(C3CCCCC3)C2=O)cc(OC)c1O 1772731155 KGGYNYLLSVSPDX-ZWPOCWBHSA-N 439.537 4.741 30 10 IJEE CN(C(=O)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cn1 1858263431 YAQOFCYBJWZOED-UHFFFAOYSA-N 425.275 4.789 30 10 IJEE COc1ccc(-c2nc3cc(C(=O)Nc4c(C#N)cnn4-c4ccccc4)ccc3o2)cc1 1859744220 WOEZTOMNVSWSJK-UHFFFAOYSA-N 435.443 4.813 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)c(O)c1 1862385100 HOCISAKCHHUYPW-GOSISDBHSA-N 436.291 4.783 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1C 1862401685 GXMXQFNDCHDZBW-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862421144 VFJURNYMZCZGHT-SBUREZEXSA-N 449.453 4.875 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862480890 QXGYYVNXDSUWCN-FQEVSTJZSA-N 431.891 4.791 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3c(c2)OCCO3)ccc1F 1862511459 OUJTWVMCWUDHBT-QFIPXVFZSA-N 439.483 4.530 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cccc3ccccc23)cc1 1862518989 YMIKHXIUAXGWQE-XDHUDOTRSA-N 445.515 4.588 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2F)cc1 1862614442 ARWBCXCCONBVKD-XMSQKQJNSA-N 437.511 4.881 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680785 KNLUDHUPERWMDZ-SFHVURJKSA-N 432.835 4.766 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862704313 XHLUWILMRMMLGI-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862716380 FSMFUHKFVPBMPS-PEBXRYMYSA-N 446.459 4.830 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2ccc(N)cc2Cl)c(Br)c1 1865949457 FACQQHOELGWXMH-UHFFFAOYSA-N 429.499 4.571 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871351264 RTXUQZLULQBFLU-BKUYFWCQSA-N 426.944 4.758 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871368692 OEBQBXRPNYSAMY-UUYOSTAYSA-N 436.847 4.949 30 10 IJEE CCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Br)cc1)C2=O 1871418595 BHHAJWQFCIQJSC-WQRHYEAKSA-N 431.282 4.706 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)s1 1871444302 XARAWONOJSQYGY-BJZWWFBTSA-N 447.516 4.679 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871457069 NTGLDNJQJVUEKT-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872167410 SMDGXLNFAKQSHU-NFBKMPQASA-N 449.661 4.648 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872511652 LGPTXVXZZNLCSO-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872766088 CIUHLOAVSGXHOZ-MRXNPFEDSA-N 430.316 4.723 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872770184 MRYJEOGBKIGZDG-DUXKGJEZSA-N 429.545 4.905 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c1 1872787348 HTSKQOUWRIUXHU-IBGZPJMESA-N 436.533 4.872 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(C2CCCCC2)C1=O 1873199462 DHZDOZHNTIBNJT-UHFFFAOYSA-N 436.515 4.874 30 10 IJEE CC(=O)N1[C@@H](c2ccccc2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)Nc1ccc(C#N)cc1 1873864426 IVQJPWMHMWDJPC-RSXGOPAZSA-N 434.499 4.541 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(C(=O)OC)cc1 1874230164 VVPJWPMTALBNNI-FSJBWODESA-N 444.944 4.600 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1C(=O)O 1874255656 CJLLKLLFAOOXNQ-ZMOGYAJESA-N 436.537 4.641 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccc[nH]2)c1 1874309599 FBTXETMDJGKWND-WGOQTCKBSA-N 431.565 4.883 30 10 IJEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874400523 SFGPDBPXWVUZEZ-WTJYETQFSA-N 440.569 4.840 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 1874445834 MGYOOQYALFFUDM-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(F)(F)F)c1 1874458753 DDBZGHPDVWWZGK-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCOc1c(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CC2)cccc1OC 1874518149 DWQDQHRQUDYIDS-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)cc1OC 1874574496 PLMKYSJEOGHZQP-VMPITWQZSA-N 439.689 4.559 30 10 IJEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(F)cc3F)ccc2OC)o1 1874594262 APQAPPNZUVCYRR-FPYGCLRLSA-N 428.387 4.828 30 10 IJEE CC(C)[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CN1C(=O)OCc1ccccc1 1892826070 RPLMVUBELCXYJF-GBXCKJPGSA-N 429.561 4.961 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([C@H](C)C#N)CC1 1901537122 MLWHKBGWKHLXLH-IQGLISFBSA-N 445.563 4.702 30 10 IJEE COc1ccc(CN(Cc2ccccc2)Cc2ccco2)cc1B1OC(C)(C)C(C)(C)O1 1915090693 NVYCUUUMTAVMMC-UHFFFAOYSA-N 433.357 4.790 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 1941496841 LQTWNRNLTKLVNV-QMHKHESXSA-N 431.533 4.728 30 10 IJEE N#Cc1ccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)s1 1951631287 JPYZRSXWRXXMDX-SFTDATJTSA-N 444.512 4.669 30 10 IJEE N#Cc1ccccc1[C@H]1[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952859737 UXUVIQUMGOATLD-ZCYQVOJMSA-N 438.483 4.955 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)C=Cc3ccc(Br)s3)C2)OC1(C)C 1965482639 USTSBTIJTDWQLG-ZDUSSCGKSA-N 426.185 4.609 30 10 IJEE CCc1ccc([C@@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1 2079112591 WPRFPHWSVCFKNV-ZICWZVMQSA-N 425.314 4.765 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@H](NC(=O)OC(C)(C)C)COC2(C)C)cc1 2081877409 SXFAXWMRRXGJIE-HOYKHHGWSA-N 445.560 4.701 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)[C@@H](NC(=O)OC(C)(C)C)COC2(C)C)cc1 2081877412 SXFAXWMRRXGJIE-UUOWRZLLSA-N 445.560 4.701 30 10 IJEE C=CCN(CC[C@H](Cc1ccc(Br)cc1F)NCC)C(=O)OC(C)(C)C 2099286711 BPPVDGUAOBYVDH-QGZVFWFLSA-N 429.374 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2cc(Br)cc(C#N)c2)CC1 2106959888 SLSFXJWCURLUIE-QGZVFWFLSA-N 426.330 4.718 30 10 IJEE NN[C@@H](CC#CC1CCCCC1)c1cc(I)ccc1Br 2149855802 QLRROZZOPRNFOE-INIZCTEOSA-N 447.158 4.532 30 10 IJEE Cc1csc(CNC(=O)c2cc(Cl)sc2Cl)c1B1OC(C)(C)C(C)(C)O1 2157015506 KFBXYZAXGOUYCM-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](Nc1ncc(C(F)(F)F)s1)C(F)(F)C(F)(F)F 2162404140 YMSAIRFMDCVZCO-ZCFIWIBFSA-N 429.333 4.665 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)CC1(C)C 2180932193 MSHKGIWYQMMYMX-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181053572 NAHJNVLZUGQONW-KBPBESRZSA-N 436.350 4.590 30 10 IJEE CN(C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)c1ccccc1C#N 2181054895 CEUFYCJICVDAFR-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Br)cc1C#N 2181138696 DYGDKIFQYLCFNY-CJNGLKHVSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CCC1(C)C 2193422897 SNUCHSBSZZFEAT-CQSZACIVSA-N 436.350 4.685 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2219977942 ZXPCFOCSUIKHQH-HXUWFJFHSA-N 440.462 4.532 30 10 IJEE CCCc1ccc(C#C[C@H](NC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2231151000 AYDJVLHBSLVLES-UIOOFZCWSA-N 449.639 4.604 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2ccccc2Br)CC(C2CCC2)C1 2235726498 FJBULOYVCCCGGY-IMYXXEESSA-N 434.374 4.635 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C 2235731525 QLUUFXNWOCTGPM-UZLBHIALSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C(=O)C#Cc3ccccc3Br)C[C@H]21 2235734110 VZVAUSHYJAMXCE-JENIJYKNSA-N 432.358 4.795 30 10 IJEE C=C(COCCC)[C@@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256707972 YJOBRWUEOTULQI-HSZRJFAPSA-N 446.632 4.791 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)c(O[C@H]3CCN(Cc4ccccc4)C3)c2)OC1(C)C 2272115406 NDOUBGUJWRRMLK-IBGZPJMESA-N 447.306 4.658 30 10 IJEE CC1(C)OB(c2ccc(O)c(C(=O)Nc3ccccc3OCc3ccccc3)c2)OC1(C)C 2282978857 RVCVHGYPKMJWDN-UHFFFAOYSA-N 445.324 4.523 30 10 IJEE C=CC[C@@]1(COc2nc(C)c(N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2287839585 FYYBXXJBIMUBMJ-FQEVSTJZSA-N 440.382 4.849 30 10 IJEE C=CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)SC1=S 2293163887 JFJCYZCYENURRX-UHFFFAOYSA-N 430.482 4.700 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 2296132765 JDFNJFNOLUPQBB-QFIPXVFZSA-N 432.451 4.636 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1 2296777434 FALLUFXCCVFCIL-OAQYLSRUSA-N 434.517 4.552 30 10 IJEE CCCCOc1ccc(C(=O)C=CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1 2296876031 RQLGJEUURFVPPJ-UHFFFAOYSA-N 437.584 4.746 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CCC 2305399610 HIXVSJCFKGTVSU-PXDATVDWSA-N 430.589 4.945 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCN(CC)CC)cc1 2314477057 ALPPWQDBBSBOBM-RUZDIDTESA-N 432.564 4.569 30 10 IJEE CCOc1cc(C=C2SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)ccc1O 2314548256 RRQHPTZUEMDZEH-UHFFFAOYSA-N 438.534 4.759 30 10 IJEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1cc(Br)c(O)c(OCC)c1 2320851393 UPRPIGRNTUJVMI-UHFFFAOYSA-N 437.363 4.573 30 10 IJEE CCCOc1cccc(C=Nn2c(CC)nnc2SCC(=O)Nc2ccc(C)cc2)c1 2320969082 DDMGUQGWXSJLLZ-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)cc1C 2321086004 YSZDADKXRMXAHS-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)OCO2)NC1CCCCC1 2322698907 ACRCRTLLHOJBDJ-UHFFFAOYSA-N 441.911 4.793 30 10 IJEE COc1cc(C=NNC(=S)Nc2ccccc2)cc([N+](=O)[O-])c1OCc1ccccc1 2323047741 UTBWFGIVXFUVNH-UHFFFAOYSA-N 436.493 4.503 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC(=O)NCc1ccco1 2323259941 BVZWIIGJXHKVMK-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2cccc(OCC(=O)OCC(C)C)c2)cc1Cl 2323279993 WSJJPDNYGYFHEV-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OC(C)=O 2324652212 LQTXPIDOBAUFFK-GOSISDBHSA-N 436.464 4.773 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O)NC1CCCCC1 2325325471 RJSARGXUPRQVID-UHFFFAOYSA-N 443.446 4.732 30 10 IJEE O=C(C=Cc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 2325621856 UGBAXTIMHBVCRH-UHFFFAOYSA-N 425.238 4.732 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(F)cc1)C2=O 2325736186 HZEHYWSRWUDJIC-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1F 2326603896 MYKXAWROECWGLB-UHFFFAOYSA-N 448.523 4.503 30 10 IJEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(O)cc1O 2327003147 OSMIHTHUKSXZAV-UHFFFAOYSA-N 438.553 4.560 30 10 IJEE CCc1ccc(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SCCCO)cc1 2327217219 SUOQONOMZUJIAH-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccn1 2328681828 YKYDXKDFLXPMLL-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1cccs1)NC1CCCCC1 2330276103 RDVCDJJEMORSTG-UHFFFAOYSA-N 445.658 4.886 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3nccs3)nnc2C2CCC2)cc1 2331509648 CJSKJMKULFYQSE-UHFFFAOYSA-N 440.598 4.739 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1Cl 2331835204 UXXUIKWHJHTERS-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339545471 WRMSPFPNXINQJY-MHECFPHRSA-N 441.381 4.538 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339580711 FXDGHZZFPZXPDX-WTWCKAPFSA-N 444.381 4.751 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)CC1 2362557363 JQCJJZGZNCELAD-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 21761450 CQQHICRSOJDOEJ-NSHDSACASA-N 443.985 4.677 30 10 IJEE CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)c(Cl)c1)=C(/S)NC[C@H]1CCCO1 22691081 LPKRVFIOELEUNZ-MRXNPFEDSA-O 438.400 4.551 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2cccc(C)c2C)c1C 32971603 DWZIGXIJDDAVRL-UHFFFAOYSA-N 446.599 4.601 30 10 IJEE Cc1cc(Cl)ccc1N/C(=N\C(=O)c1ccccc1F)NCc1c(C)nn(C)c1C 32972429 NKVMUVZUNCCCHG-UHFFFAOYSA-N 427.911 4.536 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)c1 33423677 FPLNBTPJNYZJQA-JOCHJYFZSA-N 435.451 4.986 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)cc(C)c3C2=O)cc1 41292817 GSCVRZGOEPCNKT-RMORIDSASA-N 446.455 4.856 30 10 IJEE CCN(CC)C(=O)CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1 59517734 VRMQBLORRQHIMY-CIAFOILYSA-N 428.539 4.916 30 10 IJEE CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Br)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 65734985 ZNELXLYMMBIRSK-DFXBJWIESA-N 449.385 4.908 30 10 IJEE in-vitro COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2C)cc1Cl 100293051 WSBKVZOUDBRIQM-BWORXHKJSA-N 438.336 4.592 30 10 IJEE COc1ccccc1[C@H]1/C(=C(/O)c2ccco2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1 102537106 GVHDDYWVXCYEEQ-LCPUNJGISA-N 446.484 4.833 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cccc(C(=O)O)c3)[C@@H]2c2ccc(C)cc2)cc1 102548801 VMVHMJCPOWVXHA-RKKARLDVSA-N 427.456 4.628 30 10 IJEE N#Cc1c(-c2ccccc2)nc(S/C=C2\NC3(CCCC3)Cc3ccccc32)[nH]c1=O 102781494 ZVPRWMGXAJYDDS-PGMHBOJBSA-N 426.545 4.858 30 10 IJEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)sc1C 103092014 STGDWCHDFZZSSI-LYHOESIGSA-N 426.444 4.664 30 10 IJEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1 105538315 KVEBKNMIVTVMLM-FEYWKWKCSA-N 429.472 4.547 30 10 IJEE COc1cc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)ccc1O 107365852 LHWQRKLSVSLESV-RCZVZRIZSA-N 441.483 4.892 30 10 IJEE C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 110277879 SHZJQXCNNPWREO-CQOCVSQPSA-N 435.955 4.862 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921879 BYMWXSBSFGYERD-IBGZPJMESA-N 438.480 4.691 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccncc1 169947572 RXIBRXKYKJNXDM-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccn2)c1 169998420 GKIOLDPPLWZFSE-HSZRJFAPSA-N 430.479 4.659 30 10 IJEE CCCOc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170091164 WBSVHOQQQTYCDR-UHFFFAOYSA-N 449.510 4.694 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)cc1 170098225 BKURUGANMGQAGM-LJQANCHMSA-N 432.457 4.681 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccccc1OC 170125795 JPNXLJBZZIWLMO-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccccc1OC 170125852 QXFKIXJRMZXLIE-NRFANRHFSA-N 427.472 4.611 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1cccc(C)c1 170139606 WRKXOGMTUHWYNY-HXUWFJFHSA-N 425.868 4.619 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142585 JDVUDBQDVFUOPF-DEOSSOPVSA-N 436.467 4.585 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2C)c1 170142901 PUHKRSNTEHHFII-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)c1 170160510 IBDKIZVDBOXJIJ-RCDICMHDSA-N 447.512 4.868 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170257933 WIZUVKGVQNIEFI-HSZRJFAPSA-N 445.446 4.639 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cn(C)c2ccccc12 170269425 XUVCPAHLFZHNCL-NRFANRHFSA-N 438.911 4.829 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)ccc1Cl 170292266 PWVOEFXUXYHWOQ-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C)o1 170304287 YRFDBCGETUXLNF-NPMXOYFQSA-N 445.471 4.703 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccs2)cc1OC 170411657 BIAWTILMELOOGN-IBGZPJMESA-N 441.530 4.605 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 170434606 BOUSGONRGNYHIB-NRFANRHFSA-N 439.508 4.618 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)nc2c(C)cccc12 170536838 CVFJLISXQLJNDR-MRXNPFEDSA-N 445.910 4.968 30 10 IJEE N#Cc1ccc(NC[C@@H](O)c2ccc(Cl)cc2)nc1NC[C@H](O)c1ccc(Cl)cc1 302677496 NLKUNVAPQUNHCB-UXHICEINSA-N 443.334 4.551 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 406956604 IFDXRLGUUXZEJA-ROUUACIJSA-N 429.374 4.968 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]2C 439884406 UGSOBWAGPAIWCW-QGZVFWFLSA-N 431.565 4.782 30 10 IJEE N#CC1CCC(CNC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC1 442721182 MJOSAUJRQNHEHX-UHFFFAOYSA-N 437.415 4.931 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(CC)nc(-c2ccccn2)n1 481838691 LZDROZXTWUXFCO-UHFFFAOYSA-N 444.564 4.917 30 10 IJEE C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCC4)nnc1-c1ccc(C)cc1 489633081 LIEQVIVFKHCXDF-UHFFFAOYSA-N 435.578 4.931 30 10 IJEE C=CCN(C(=O)CCc1nc(C(C)(C)C)no1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 512170231 JYYFZFZJAWBKRS-UHFFFAOYSA-N 441.513 4.551 30 10 IJEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1OC(C)=O 526490429 WVHTUZOIZSYUIC-QFIPXVFZSA-N 446.484 4.611 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccn2)cc(Cl)c1OC 526609678 RQWSKZLVASFPPY-NRFANRHFSA-N 447.878 4.681 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526806213 ZRVYXYQWDNBYBA-OYKKKHCWSA-N 440.569 4.739 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccc(C)cc1 526830277 FVPKFYGUEVAIKF-UCQKPKSFSA-N 426.542 4.873 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 532380901 COIKGSKSWSIXEM-FQEVSTJZSA-N 434.536 4.721 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)cc1C 586505701 GELABDDRSZEMPK-UHFFFAOYSA-N 436.961 4.795 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)[C@@H]2CCCN(C(=O)[C@H](C)CC)C2)c1 726320719 XOABGUAOLRAIID-TZIWHRDSSA-N 449.547 4.673 30 10 IJEE N#C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CCC3)CCN1C1CC1 732649810 SRUAAHHPFHCNFN-FLVWFLKISA-N 448.570 4.924 30 10 IJEE C#CCN(C(=O)NC/C=C\c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 733348033 FQNHFLPEYPIKFX-NSDNCLLMSA-N 425.326 4.631 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=S 742172690 URPGRKZQOXQPFI-UGKGYDQZSA-N 435.597 4.698 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C/Sc1cc(F)ccc1F 797943103 NEEFQPKLYKKEAI-URWSZGRFSA-N 436.867 4.889 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2ccc(C)cc2C)c(C(=O)OCC)c1C 1124756031 AKFPSKJZWJYLAS-UHFFFAOYSA-N 429.538 4.764 30 10 IJEE C#C[C@H](NC(=O)c1cccnc1Oc1cccc(Br)c1)c1ccc(F)cc1 1129603434 WZOSUDWREWHXOV-IBGZPJMESA-N 425.257 4.880 30 10 IJEE C#C[C@@H](NC(=O)c1cccnc1Oc1cccc(Br)c1)c1ccc(F)cc1 1129603435 WZOSUDWREWHXOV-LJQANCHMSA-N 425.257 4.880 30 10 IJEE C#C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1ccc(F)cc1 1129716270 CTWMLGZLXYLOSA-INIZCTEOSA-N 449.322 4.812 30 10 IJEE C#CCN(C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)[C@@H]1CCCc2ccccc21 1134316531 SVNNUDCZNGAQGY-LJQANCHMSA-N 439.581 4.629 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)ccc1O)c1ccc2c(c1)OCCO2 1136697860 JQBKUZASSASIHV-UHFFFAOYSA-N 431.488 4.884 30 10 IJEE C=CCCC[C@H](C(=O)N1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1153975898 KRKYJSISSZEVTQ-YBXDKENTSA-N 442.600 4.753 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccc(F)c(F)c1 1189412949 POWPUJRVAAMTFY-AWEZNQCLSA-N 426.794 4.628 30 10 IJEE C=C(C)[C@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)c1ccc(F)c(F)c1 1193574988 KTNSQZIHZQAEDS-BEFAXECRSA-N 430.264 4.513 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1 1198640059 MMOOEJWYCUGFPN-KRWDZBQOSA-N 439.953 4.851 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)c1ccc(Cl)cc1F 1211815230 FSAIBWXBKHFYAQ-HNNXBMFYSA-N 437.117 4.548 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 1216995317 OVIMGEAZUGBPFK-UHFFFAOYSA-N 435.293 4.884 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cccc(COC(C)(C)C)c2)cc(OC)c1OC 1221553961 YTLOJOCUWLSEHP-UHFFFAOYSA-N 426.557 4.747 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC 1251830854 NIYZTRJJBVGRFV-QGDZQMKYSA-N 434.628 4.819 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCc3cc(Br)ccc32)cc1 1264801467 DLODQBAMJGVKNK-OAQYLSRUSA-N 439.353 4.932 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1)OCC 1270183595 LBPIZEWPUPMWMN-PMACEKPBSA-N 436.980 4.832 30 10 IJEE C=CCn1c(SCC(=O)NCCc2cc(C)ccc2F)nnc1-c1ccc(Cl)cc1 1272881391 AQZZCDAFCSNNAS-UHFFFAOYSA-N 444.963 4.683 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ncc(CC)s1 1286281610 IMSFLWHDAQNXTQ-QGZVFWFLSA-N 447.564 4.642 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(C)s1 1286438798 GUPYQCBDZGEPOO-UHFFFAOYSA-N 432.549 4.995 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2F)CC1)c1ccccc1 1286680355 YDKPUEHKMFFJQR-QFIPXVFZSA-N 448.590 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CC1([S@](C)=O)CCC1 1286747605 LUTWMPPVYXIQIL-PMERELPUSA-N 440.638 4.809 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CC1CCC1)CC1CC1 1286770411 KFNXXTLCAPCGTE-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286771610 AIMYXHZRYKERGS-IAGOWNOFSA-N 437.357 4.673 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1286829127 DIDWWPIQSLIOGH-IRXDYDNUSA-N 425.627 4.743 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286831941 GBXQHRMJZXOLLA-UHFFFAOYSA-N 427.618 4.606 30 10 IJEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1290117959 FXIKNNSUJFRFOH-NRYAXDJKSA-N 425.552 4.537 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 1292582499 SVYYDEZNWCOHCA-LJQANCHMSA-N 436.980 4.712 30 10 IJEE CCOc1c(Cl)cc(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2C(C)(C)C)cc1OC 1296695445 CLERZYLDPIKPPC-HSZRJFAPSA-N 445.995 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(COC)CCC1 1300271631 INZABNPLTBUFSN-RTBURBONSA-N 445.007 4.963 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2Cc2ccc(Cl)s2)c1 1300331257 HDIJHZBFMLLKOF-OAHLLOKOSA-N 441.988 4.611 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300611458 FEKJBSZHDUKOKH-GOSISDBHSA-N 439.604 4.615 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1ncc(CC)s1 1300649418 MJSTUGWGZYVEJU-UHFFFAOYSA-N 437.588 4.857 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSCC(C)C)CC1 1301119212 ABFTXZSJFQRJKO-UHFFFAOYSA-N 428.602 4.508 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1301145971 NOXGQAGAUQVUAI-NRFANRHFSA-N 435.572 4.680 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1301187432 VSBGXBLLLKYECY-HSZRJFAPSA-N 439.604 4.601 30 10 IJEE C=CCCCCn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@]1(OCC)CCOC1 1301198880 SVMVFWWWKAVKKG-QHCPKHFHSA-N 430.980 4.503 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CCOCC2)C1 1301208364 UGSXWMJHWGISAI-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1301238914 HJOSBRUTFHSJED-ROUUACIJSA-N 447.649 4.716 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1[C@@H]1C[C@H]1C(C)C 1301415315 QPMICPXXUQBZBW-FUHWJXTLSA-N 437.357 4.703 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1301438451 SBYWCLLNXKWXMI-FPOVZHCZSA-N 437.588 4.529 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1OC 1308425451 ITQNHTBSNOEPAO-DYESRHJHSA-N 445.401 4.775 30 10 IJEE COCC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)c(Cl)c1 1309489834 HYAOBFOHFYXKPY-MRXNPFEDSA-N 433.744 4.575 30 10 IJEE COc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1S(C)(=O)=O 1310879013 CFTDASWJIJCLDA-INIZCTEOSA-N 449.532 4.520 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nnsc3Cl)c2)cc1 1311042908 SYBUECYRCQYANB-UHFFFAOYSA-N 428.905 4.810 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C)c1ccccc1 1312334044 GPKBZNUGDDRSDB-PGRDOPGGSA-N 445.401 4.915 30 10 IJEE C=CCC1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)CCCC1 1312685534 FTNOOJCRLTXOOB-IRXDYDNUSA-N 447.542 4.858 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CCC(C)C)C1CCCC1 1350035995 FJERNLDCCGJEJR-UHFFFAOYSA-N 437.378 4.916 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 1350084503 CFGOPQYQFVAAGE-UHFFFAOYSA-N 426.472 4.741 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(F)c(F)cc1I 1355346757 MKNLHGRSJFCTCD-UHFFFAOYSA-N 430.188 4.526 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1oc2ccccc2c1C 1358988860 GJGLBZVVUYWGRK-UHFFFAOYSA-N 429.911 4.559 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCN1CCCCCC1 1359017664 NMDCEJQCOZHSRV-UHFFFAOYSA-N 437.607 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(Br)cs2)CC1 1359163822 UKNFKZPWVGVQCE-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccsc2)CC1 1359175035 XKBSWBQGCAQIPT-UHFFFAOYSA-N 446.418 4.753 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1CC1CCC(F)(F)CC1 1359277564 PKJFXFPMJFKNIN-UHFFFAOYSA-N 441.526 4.918 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCSCc2ccccc2F)C1 1359322329 TWQXKKRDFMPDGK-LJQANCHMSA-N 432.609 4.721 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)c1 1359822601 LGNAQJVPQDWZOA-INIZCTEOSA-N 443.341 4.704 30 10 IJEE C=CCn1c(SCC(=O)Nc2c(C)ccnc2CC)nnc1-c1ccc(Cl)cc1 1440029907 HEUOSKUTFYNQHC-UHFFFAOYSA-N 427.961 4.781 30 10 IJEE CN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1465165959 GRNLWOJHSDJMDJ-UHFFFAOYSA-N 433.581 4.638 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@]3(CO)CCCc4ccccc43)cc2F)c1 1465516188 FFDDLNOTMXTKDJ-SANMLTNESA-N 445.494 4.622 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1Oc1ccccc1 1467366500 GJPRDALMGIWSCB-CAOCKLPOSA-N 446.478 4.844 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1470667170 PUWISNFSEHQLTK-OFNKIYASSA-N 427.951 4.897 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)c(C(F)(F)F)c1 1475308243 GJEGBLMUCSXDCA-KRWDZBQOSA-N 432.826 4.799 30 10 IJEE C#Cc1cccc(NC(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c1 1475846784 JOIGRBKQKCTGQK-FQEVSTJZSA-N 426.358 4.838 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1477863418 JXYKESHQWMSISR-OAQYLSRUSA-N 433.568 4.997 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1494738944 BJIXMYIBCWVXMY-FQEVSTJZSA-N 448.546 4.835 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1494973243 HYWGGZLYHGLXFX-PZGSVQSZSA-N 447.587 4.526 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCC2CCCC2)CC1 1507720388 DCIAPMIXKIIOOK-QHCPKHFHSA-N 449.643 4.761 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1507789448 WVEYPTNSKDLUTM-OAHLLOKOSA-N 443.361 4.711 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ncc(CC)s1 1507946568 SWEUIKYEZPTWFK-UHFFFAOYSA-N 433.585 4.752 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCN1CC)C1CC1 1507989849 IYBVBCYVXCVPDB-GOSISDBHSA-N 444.421 4.737 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCCCC1 1508003424 YPGHBKFIQLAGKK-UHFFFAOYSA-N 444.627 4.721 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1cccc(OC)c1 1508008388 NWKNITJWJALCAH-FQEVSTJZSA-N 438.597 4.678 30 10 IJEE Cc1csc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2occc2C)c1 1511465420 DFNUKPZZQGJWCW-UHFFFAOYSA-N 433.537 4.685 30 10 IJEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1)C(C)C 1517824540 BLXWQHRUJYBFHQ-IBGZPJMESA-N 435.494 4.657 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)COc2ccc(C#N)c(Br)c2)c1 1520385213 MZMWCBJKAUNWGV-UHFFFAOYSA-N 435.277 4.507 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2C)CCCN1C(=O)OC(C)(C)C 1526122420 QETPOYKTTUBZBU-OAQYLSRUSA-N 448.361 4.914 30 10 IJEE C=CCOCCCNC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1529053369 CYUVRVLBFLNSHI-QGZVFWFLSA-N 431.360 4.610 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(I)cc2F)cc1 1529134948 FRTWESNERUEBNA-UHFFFAOYSA-N 426.250 4.513 30 10 IJEE N#Cc1cccc(NC(=O)Cc2cc(Br)ccc2Cl)c1Br 1529427491 DXHDDQPRKFDFIE-UHFFFAOYSA-N 428.511 4.918 30 10 IJEE Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2=O)cc1C 1529898754 AGLQHJZNURITRP-HXUWFJFHSA-N 425.488 4.959 30 10 IJEE COc1ccc(CN(C(=O)c2ccc(C#N)cc2OC)c2ccc3nc(C)[nH]c3c2)cc1 1530315438 ASPBKJBQYKAUSV-UHFFFAOYSA-N 426.476 4.607 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(CC(C)C)co2)nnc1-c1ccc(Cl)cc1 1535302168 YRKJJMVOKRAOIA-UHFFFAOYSA-N 431.949 4.702 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 1535433572 XOEBGZUJNPBWJJ-UHFFFAOYSA-N 430.277 4.520 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)cc1 1537825348 JLAZQWJYDLHEGT-VQTJNVASSA-N 430.545 4.670 30 10 IJEE CC(=O)c1ccc(Br)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 1538293965 DFGLKCLCTIVXLU-UHFFFAOYSA-N 437.297 4.681 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1539087543 WGTZWBRUHHYHRL-RTBURBONSA-N 446.064 4.946 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1ccsc1)N(C)C 1539246803 RCNQUUBEZZTQPN-HSZRJFAPSA-N 445.636 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1539559216 YRMUMCYEABONKS-PXDATVDWSA-N 440.035 4.635 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(Cl)c(I)c1)c1ccccc1 1539635633 PMKZBQHJUBBFAY-JOCHJYFZSA-N 445.709 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539659597 CZDWKFAHZHJVSB-FQEVSTJZSA-N 425.577 4.747 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1539662228 QMCJWVORWZOVJJ-VXKWHMMOSA-N 447.631 4.654 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1539712222 TZFZHBCLGABYQE-ICSRJNTNSA-N 432.996 4.831 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)NC(C)(C)C)CC1 1539836295 PAEUBGHDMNJOJW-KRWDZBQOSA-N 441.645 4.593 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1539855404 XDTSASYGTJBICX-PMACEKPBSA-N 427.662 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3ccccc3CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539931354 KJDNCZTZHHICMM-AREMUKBSSA-N 438.616 4.526 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1539982648 YQMQMSKXPUCNDV-LJQANCHMSA-N 429.996 4.697 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](C)C1 1540029161 YCESQNLEVHKBQA-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1Cc1ncc(CC)s1 1540135929 DBMRDVRIFUHYEL-UHFFFAOYSA-N 448.571 4.663 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1540139248 BFTDQTUBCFSVHU-XZDHIHRUSA-N 428.552 4.809 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc(F)cc(F)c1 1540176331 AORGCBPLGWUZIW-NHCUHLMSSA-N 430.543 4.896 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 1540487425 YGWPPEYAPDAQIM-HOTGVXAUSA-N 435.977 4.996 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1540631391 APKAORHLIWOVKQ-UHFFFAOYSA-N 434.561 4.933 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@H](C)[C@@H]1C 1540880928 UEIOFKQFJIJKBT-RBUKOAKNSA-N 435.597 4.592 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2sc(C)nc2C)C1 1540886635 GXZAKFXNGIPZST-LJQANCHMSA-N 444.004 4.696 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N1CCC[C@H](C)C1 1541106707 AWSWFVOEQRKLOX-GVDBMIGSSA-N 449.430 4.968 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 1542502987 BTAHBEPWPDJKNE-IERDGZPVSA-N 444.551 4.747 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C(F)(F)F)cc1 1544661249 CXLLAPYXLNGBFT-HNNXBMFYSA-N 435.295 4.803 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)C(C)C)CCS1 1546114707 CQQSNFVMWINIAC-UHFFFAOYSA-N 440.661 4.659 30 10 IJEE C#CCOc1ccccc1NC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C 1556243308 PIUDNKNXOUQXSC-UHFFFAOYSA-N 426.398 4.812 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Br)c1ccc(Cl)cc1 1561629675 XEGGWVSKADXANW-CQSZACIVSA-N 437.117 4.548 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 1561662190 BYVVKRVAHHYDFG-YOEHRIQHSA-N 439.762 4.589 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1562083748 BZFDTMKGPAZLKO-OFNKIYASSA-N 441.597 4.764 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2cc(-c3ccco3)nn2-c2cc(C)cc(C)c2)CC1 1562553043 GLUFLLCEUNLPJL-UHFFFAOYSA-N 433.556 4.911 30 10 IJEE C=CCC1(CNC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CCCC1 1564748082 RYZNHBARXQQGHM-UHFFFAOYSA-N 438.385 4.552 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2cncc3ccccc23)CC1 1567771112 AFJMEXIDOFERRJ-UHFFFAOYSA-N 441.453 4.781 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCCN1C(=O)c1cccc(C)c1 1583505548 FHHHPRITBLOUQM-LJQANCHMSA-N 443.341 4.566 30 10 IJEE C=CCC1(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)CCOCC1 1583687019 SPHGXCWYLDZQCO-HXUWFJFHSA-N 428.573 4.622 30 10 IJEE C=CC1(CC(=O)N2CC(C)(C)c3ccc(Br)cc32)CN(C(=O)OC(C)(C)C)C1 1584779351 BPPLLKBKBWGIGQ-UHFFFAOYSA-N 449.389 4.887 30 10 IJEE COc1ccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c(Cl)c1OC 1585624628 GUDLECBHPFAJJP-CYBMUJFWSA-N 440.849 4.859 30 10 IJEE CCC(CC)Oc1ccc([C@@H](C)OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 1587382248 FXDBEDQYAMGJNN-MRXNPFEDSA-N 425.529 4.943 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1Cc1cscc1C 1588194156 PTFWTZAPSBRPJS-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CC(C)(C)C1 1588574889 VMNBDGPLLCPTAZ-QGZVFWFLSA-N 430.980 4.594 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCCSC)CC1 1588769631 VNNREZLVMAJDQX-UHFFFAOYSA-N 439.673 4.531 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1589026752 ISDBDMLQLRRACQ-LJQANCHMSA-N 433.021 4.749 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@H]1CC 1589459898 GHHMQPOELUSSDA-RKTXRCNFSA-N 425.415 4.730 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccsc1 1593717323 DHIAKMXMEAAYGJ-UHFFFAOYSA-N 432.977 4.898 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2nnc(C)s2)CC1 1594208343 FZDWSXWYJSGTQL-UHFFFAOYSA-N 446.983 4.933 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1594720300 IGZRDDZDNQAEOF-HXUWFJFHSA-N 448.615 4.904 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 1594767169 OUCZNIAXTQNCBC-GJZGRUSLSA-N 425.360 4.744 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC(F)F)c(F)c1 1595009169 BGUSJTHKGRCXNY-CRAIPNDOSA-N 438.494 4.608 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CC1(c2ccc(F)cc2)CCOCC1)C1CC1 1595058931 XJDHGCOMNIIBQY-UHFFFAOYSA-N 426.580 4.909 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OCC(F)(F)F)cc1 1595204347 AFYRPCYUMRPMHS-UHFFFAOYSA-N 443.473 4.816 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1595223349 SMCILFSJGTUHJN-UHFFFAOYSA-N 428.024 4.965 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1cccs1 1596806109 CRLFXDXXUIKBNA-CYBMUJFWSA-N 448.365 4.747 30 10 IJEE CC(F)(F)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1 1611644054 BSWOTPGECAYPFZ-UHFFFAOYSA-N 426.471 4.775 30 10 IJEE C=CCn1c(C)nnc1SCCCOc1c(Br)cccc1Br 1613294743 MKINWCZVGHGMHP-UHFFFAOYSA-N 447.196 4.859 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1OC)c1ccccc1 1621946492 VDXXPKUSIZJUKQ-INIZCTEOSA-N 428.323 4.583 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(I)c1)[C@H]1CCCc2ccccc21 1626710492 LWILPJNJTLNHGW-FQEVSTJZSA-N 429.301 4.753 30 10 IJEE CCc1nc(-c2ccc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)cc2)n[nH]1 1630579068 CDHMEEPXUBZRSA-CQSZACIVSA-N 427.430 4.607 30 10 IJEE C=CCCONC(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1630753788 QLMUDQIBNVMFSJ-UHFFFAOYSA-N 436.552 4.954 30 10 IJEE C#CCSCCNC(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 1632028165 QWPUCRBOBXZKBS-UHFFFAOYSA-N 439.650 4.653 30 10 IJEE C#C[C@H](NC(=O)NCC(F)(F)c1ccc(Br)cc1)c1ccc(Cl)cc1 1636557664 ROONHJIYKXPOCQ-INIZCTEOSA-N 427.676 4.868 30 10 IJEE C=C(C)CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1641758546 FATGPKWAZBHKJS-UHFFFAOYSA-N 427.353 4.751 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)Cc2cccs2)c1 1644883173 JIWQCYSZFBNEJF-UHFFFAOYSA-N 426.444 4.696 30 10 IJEE CN(C)c1cc(Cl)cc(Cl)c1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1651854251 BMSHOEQAQWWEFS-UHFFFAOYSA-N 431.367 4.782 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3cccc(F)c3)C2=O)nnc1-c1cccc(OC)c1 1652701384 MGOLBGDGRQDYMT-HXUWFJFHSA-N 438.528 4.567 30 10 IJEE Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC[C@@H](O)COc1ccccc1C#N 1654052700 BUJIBFVOVSDBJE-IFXJQAMLSA-N 427.957 4.734 30 10 IJEE C=CCOc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1Cl 1656052823 KBNSISFBJWFFSB-KRWDZBQOSA-N 438.877 4.814 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2cc(Cl)c(OC)cc2Br)CCCC1 1663088976 MEUBQDDILWFUBJ-UHFFFAOYSA-N 436.799 4.916 30 10 IJEE C#Cc1ccc(NC(=O)NCc2ccc(Oc3c(OC)cccc3OC)nc2)c(Cl)c1 1664985869 RJJLUCQEPFXSPQ-UHFFFAOYSA-N 437.883 4.848 30 10 IJEE C[C@H]1[C@@H](C)N(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H](C)N1Cc1ccccc1 1669823313 DPOYSALKUMXOPR-IXDOHACOSA-N 441.373 4.836 30 10 IJEE C#C[C@@H](CCC)NC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1670132342 MKHIWMLPQWBDNU-QMMMGPOBSA-N 436.253 4.881 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3OCC3CCC3)CC2)c(F)c1 1670794281 BKDWLXCJEMBMHT-UHFFFAOYSA-N 442.922 4.884 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 1672149621 CHYQFPHCWNVHGO-UHFFFAOYSA-N 438.837 4.901 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)NCCc3ccccc3OC(F)(F)F)s2)cc1 1673104130 HXCCETLSUPUUDJ-UHFFFAOYSA-N 446.454 4.868 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(c2ccccc2Br)CCCCC1 1682155597 BBQHFGBGGNOUGU-YLJYHZDGSA-N 435.406 4.931 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC/C=C/c1ccc(Br)cc1 1683019834 RKDOUTJKXOVZSY-HWKANZROSA-N 433.346 4.726 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccc(F)c(F)c1 1686173994 UHRPNGAARAGFHH-REWPJTCUSA-N 430.495 4.777 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 1686532924 HEPIIUDCRFUOTK-FSSWDIPSSA-N 448.485 4.684 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)[C@@H]1CCCc2ccccc21 1686588661 USBLJWBSIYWGNT-UKDVSSAZSA-N 447.554 4.600 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 1686761945 DFNFFDGOPFBJSP-FGZHOGPDSA-N 431.536 4.524 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 1686761947 DFNFFDGOPFBJSP-YADHBBJMSA-N 431.536 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cscc1C(F)(F)F 1689858026 GUDSCYVPGISCPV-HNNXBMFYSA-N 448.514 4.658 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H](c1cccs1)N1CCCC1 1689858417 LWJXKANWNYLKME-GGAORHGYSA-N 447.652 4.810 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCC2)C1 1689904344 SJAVRUZAXHXQCC-UHFFFAOYSA-N 436.600 4.717 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](SC)C(C)(C)C 1690035715 HYJDYMXXWZIGFZ-JOCHJYFZSA-N 446.624 4.576 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN(C)CCCC)CC1 1690363924 DZHSLEBWEHVFPV-QFIPXVFZSA-N 425.621 4.923 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nnc(C)s2)CC1 1690404364 ATRMWFCYSAXFBV-UHFFFAOYSA-N 435.384 4.863 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccnc(SCC)c2)CC1 1690406332 BMTPADICYGYUON-UHFFFAOYSA-N 435.597 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690435030 OOFMTJRMOJCPQT-JOCHJYFZSA-N 437.632 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)CC1 1690437927 UMGRDCFZPTXQHM-UHFFFAOYSA-N 439.648 4.854 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)c1ccccn1 1690607160 FXKHCDJUCLTNTH-OAQYLSRUSA-N 435.572 4.721 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690733519 GXIWYQWTINHVPC-DYESRHJHSA-N 432.609 4.800 30 10 IJEE CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)Oc1cccc(F)c1 1694394878 GAFMEPWWASTSHF-CYFREDJKSA-N 427.568 4.993 30 10 IJEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(C)(C)C)cc1OC 1696116813 HZBJQFSUNIAUFC-HSZRJFAPSA-N 429.540 4.621 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)(C)C)CC1 1705721228 QTMYXZFPBHWNGK-OAQYLSRUSA-N 425.621 4.922 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCCCCC[C@@H]21 1705733106 ILQKDXAGRXLCPO-KNQAVFIVSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1705791299 SFFGBFDDKWALMK-RTWAWAEBSA-N 437.588 4.572 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CC)C1)c1ccccc1 1705797772 CBIQNTHHVRVFQM-UNMCSNQZSA-N 437.613 4.609 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN1CC 1705877313 BWAQVUJDRLOZHL-QHCPKHFHSA-N 433.600 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnn(CC(C)C)c1C 1722285719 WTWZYQODPJETRC-IBGZPJMESA-N 432.616 4.910 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)C[C@@H]1CCCO1 1722311133 SYKILRSRRQDLPQ-QUCCMNQESA-N 426.630 4.940 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC(F)F)cc1 1722345214 GEYSQLJAWBGZPO-UHFFFAOYSA-N 442.535 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC=C(COC)CC1 1722490673 BUBWYUXKPTYRKL-SMIHKQSGSA-N 436.600 4.584 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(COc2ccccc2)CC1 1722527806 BXMNEXSHOIGSSD-UHFFFAOYSA-N 436.556 4.735 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1 1722558037 BHMRPGSWWYFGBL-IRXDYDNUSA-N 438.016 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1722589099 KLTVJFDSOPTDGD-UHFFFAOYSA-N 439.579 4.501 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC2(CCCC2)C1 1722598853 PWIHMTQZPGOOPY-UHFFFAOYSA-N 437.588 4.653 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCC(C)(C)C)CC1 1722601085 UXDFKCSEEYOABR-UHFFFAOYSA-N 439.604 4.588 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](CCOC)C1 1722611410 IXSNMFQDVMOJQV-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1722626844 HFDKJCVUDFWSMH-HSZRJFAPSA-N 442.579 4.618 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCSC1)C1CC1 1722648616 VKGLXUWGIQAPCK-KRWDZBQOSA-N 428.602 4.650 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H]1CCO[C@H]1C(C)C 1722661780 AFYNGANUPROFIY-OFNKIYASSA-N 437.613 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC[C@H](C)N1CCCCC1 1722662268 GRNIQMXQJOFEIU-FQEVSTJZSA-N 436.629 4.859 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1cn(C)nc1-c1ccccc1 1722675028 IRVQRWQHKKNPCC-UHFFFAOYSA-N 430.556 4.678 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2csc(-c3ccccc3)n2)o1 1724287763 HUADZVLZJWSHCR-INIZCTEOSA-N 432.553 4.809 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3cccs3)n2CC(F)(F)F)cc1 1731181392 AZSHWVGDNMXBMI-MRXNPFEDSA-N 433.459 4.694 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](OCCC)CC1 1740584391 GHYIAXSPYXHWBX-PMACEKPBSA-N 428.552 4.756 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCCc1cccc(C)n1 1740658911 HOJAOUMFZMNOOC-UHFFFAOYSA-N 443.620 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(Cc1ccco1)C(C)C 1740757368 VLBLYJIGGVZUIE-OFNKIYASSA-N 436.556 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C[C@@H](C)CC 1740758544 YXVBHMHYDJHQJX-IMSXRSKXSA-N 448.615 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN(CC(C)C)C1 1740776805 CESAYVPHRKLGPQ-DNVJHFABSA-N 445.696 4.967 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1740869417 MOOLYKSUIPUVDD-FQEVSTJZSA-N 444.482 4.992 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@](C)(C#N)C1 1740871883 RPLLAISZDADOQW-FQEVSTJZSA-N 432.341 4.943 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1nccs1)C1CC1 1740907210 VQENSXWEXUEKOD-HZPDHXFCSA-N 427.549 4.972 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740944521 NEEWBUUCACNJCS-XHDOVSQSSA-N 440.638 4.691 30 10 IJEE CC(C)c1nc(CCn2c(Cn3ccc4ccccc43)nnc2N(C)[C@@H](C)CC#N)cs1 1741326273 DOOGFQMGVMAQDN-SFHVURJKSA-N 447.612 4.842 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ncc(CC)s1 1748640980 CDKLFOVPPZRBNB-HUUCEWRRSA-N 429.977 4.597 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CC=C(C(F)(F)F)CC1 1748736188 ZWRDKDVNQRBCGM-UHFFFAOYSA-N 439.279 4.820 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(Cl)s1 1748902217 DGVFHJLHVFTEGD-UHFFFAOYSA-N 445.375 4.737 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C(C)C)C1 1749026130 FOBQYCKSNBJPOE-FQEVSTJZSA-N 442.629 4.591 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCC[C@@H]1C 1749148203 ZLSVQAPNBJQGOB-ROUUACIJSA-N 428.577 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC1CCN(CCC)CC1 1749165922 SOHJETLALGIWAK-UHFFFAOYSA-N 434.632 4.806 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2snnc2C)CC1 1749312139 BWLUWPSPIBCCRH-UHFFFAOYSA-N 438.601 4.519 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nc(C)c(C)s2)CC1 1749347378 PEQKMMIEXJVWHT-UHFFFAOYSA-N 427.549 4.520 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccc(C)cc1 1749450429 GMOCZCCKZWINCW-FGZHOGPDSA-N 426.605 4.987 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]2CCC[C@H]21 1749764085 QZFDOCXRAZUWOF-RBUKOAKNSA-N 428.602 4.554 30 10 IJEE N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CCC2CCOCC2)c1 1750378214 DXDVGVVMRKFXPB-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE CC(C)CC1(Cn2c(N3CCN(c4ccc(C#N)cc4F)CC3)nnc2C(C)(C)C)CC1 1750701118 BTBGVXKCOZEDBP-UHFFFAOYSA-N 438.595 4.739 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1760103957 OTQSGKXALFYDTN-MJGOQNOKSA-N 449.555 4.549 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1760135421 VLFBPBXJDZQIMV-FQEVSTJZSA-N 435.597 4.699 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1nc(C)c(C)s1 1760172916 DAHZNGPFFQWEQA-CQSZACIVSA-N 425.627 4.517 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760451987 AFCRDHVWPCWSQK-FQEVSTJZSA-N 429.634 4.752 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)OC(C)(C)C1)C(C)C 1760488217 OWAGWEMHNCSJFG-RTWAWAEBSA-N 441.620 4.549 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(F)F 1760534410 XXOVVAUIQIJISV-WIYYLYMNSA-N 448.558 4.901 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(C2CCCC2)n1CCc1cc(Br)ccc1F 1761362247 AUGOEPRWVWHUKD-CQSZACIVSA-N 434.357 4.818 30 10 IJEE CCc1nc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)cs1 1762781197 CSEJXILZKDGMFT-UHFFFAOYSA-N 436.585 4.574 30 10 IJEE CCC[C@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N)OC 1763855537 CXSYBXMMFQDZRA-VQIMIIECSA-N 438.601 4.788 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](CC)C1)OC 1765245913 CMPGTSREVFMEMF-FCHUYYIVSA-N 441.645 4.990 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C(C)C 1766510073 DFPBXMCOYDBQRC-OFNKIYASSA-N 439.604 4.805 30 10 IJEE Cc1cc(Br)cc2c1N(CCOc1ccc3ccccc3c1)C(=O)C2=NO 1772729155 ZXTSLGSQFFHRLW-UHFFFAOYSA-N 425.282 4.515 30 10 IJEE O=C(O)c1cccc(N=C2S/C(=C/c3ccc(O)c(O)c3)C(=O)N2c2ccccc2)c1 1772737422 QVZRZMXYNQGUHZ-KRCJOYDVSA-N 432.457 4.605 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 1862111405 BFVRKXGRQAGJMK-NRFANRHFSA-N 426.944 4.556 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CC2)cc1OCC 1862437836 AALZALJTBBBIIX-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862452455 CHUUFWRMFJNOPL-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1c(F)cccc1Cl 1862480413 GFBSMADCGBAVDS-OAQYLSRUSA-N 444.934 4.708 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)c(O)c2)ccc1F 1862503554 ZRXKPSZWXJQDMP-PFDOBSCMSA-N 439.483 4.702 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(O)cc1 1862529922 LKDUAVBPVAYADU-HSZRJFAPSA-N 437.536 4.740 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2cccc(O)c2)cc1 1862534743 XNGXOUJWEAWDGE-DEOSSOPVSA-N 443.499 4.742 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(F)c1 1862544922 NZNUAIHGSSPTDZ-HSZRJFAPSA-N 437.511 4.708 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2Cl)cc1OC 1862569337 KKFOHIOGMIDZRL-OAQYLSRUSA-N 443.927 4.982 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)cc1 1862613508 JKVZJZCYSDORJY-JOCHJYFZSA-N 437.536 4.695 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(OCC)c1 1862655483 JNGUAEUYCZZOQH-QHCPKHFHSA-N 429.472 4.708 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862708238 PWBXWXARLUTMMH-SBUREZEXSA-N 436.552 4.918 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863074241 UFNPISPWPJGOCA-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866778867 HODZXXJHKDDPLA-ZEQRLZLVSA-N 447.485 4.892 30 10 IJEE CCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1 1870141831 MPFGOHVCLFRJBA-UHFFFAOYSA-N 425.448 4.582 30 10 IJEE CCCCCCCOc1cn(CCCCCO)c(CNc2cccc(OC)c2)cc1=O 1870838102 OQQMLMZMCKQWMM-UHFFFAOYSA-N 430.589 4.981 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871389465 XGCLXKHOSYFPCK-UCQKPKSFSA-N 444.439 4.846 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1OC 1871447454 UINAOLZCCJMBNJ-IWIPYMOSSA-N 445.471 4.728 30 10 IJEE Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc2c1C(=O)/C(=C/c1ccco1)O2 1871461209 ALHMVEUEYIDOQV-OCKHKDLRSA-N 446.484 4.644 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(C[C@@H]2CCCO2)C1=O 1873102319 NMLMKUMELCLMNV-NRFANRHFSA-N 426.601 4.984 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccc(Cl)c2Cl)C(=O)N(C2CCCC2)C1=O 1873338180 KPXXTXVBPYDDSP-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE N#Cc1ccccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 1873868384 AFHSRBGFSIHPQD-UHFFFAOYSA-N 432.281 4.549 30 10 IJEE C[C@H]1CCCC[C@H]1NC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1873870456 TXXDPNZXOKGEDM-OKBFXZSESA-N 444.531 4.868 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc(OC)c1OC 1874261046 GAEXJHVTNYCGGU-WYMPLXKRSA-N 448.495 4.537 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 1874403582 HTEAEDYQFMJLDG-LGUFXXKBSA-N 428.561 4.986 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1sccc1C 1874476639 QEVFSHYSMJRPIK-WSDLNYQXSA-N 431.562 4.743 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874478370 WZEOHYTUGPWTBU-ZMOGYAJESA-N 444.532 4.657 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)cc1OC 1874483193 JBJSUHKAQLSCIQ-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE CC(C)(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(F)cc1 1874485247 LBUZSQNJNQHTKU-WYMPLXKRSA-N 436.516 4.538 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccccc1Cl)NC1CCCCC1 1874495847 ITUNFPRSXJFQRB-YDZHTSKRSA-N 431.993 4.622 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)cc1C 1874517716 IHPWPRYSXJHWRS-LGJNPRDNSA-N 444.564 4.867 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1c(F)cccc1Cl 1874522424 SKKNQPQMDWEVKV-BHGWPJFGSA-N 445.951 4.863 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1OC 1874603316 SJSYYOPLLCCIMS-GXDHUFHOSA-N 431.488 4.926 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OCCCO)c(OC)c2)cc1C(C)C 1874627143 FNMNXRASIXXVGF-CMDGGOBGSA-N 428.525 4.802 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OC)c2)c1 1875147147 NCGRNTWDRCZWOH-FMIVXFBMSA-N 448.471 4.593 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(OC(F)(F)F)c3)cc21 1890690918 KJRSJWWEVQKMPC-UHFFFAOYSA-N 434.414 4.775 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2ccc(Br)c(F)c2F)C1 1892685087 VRCXDUBXMGRVEI-MRXNPFEDSA-N 431.321 4.991 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 1903072003 GJSOVRDQTOIPSN-VQTJNVASSA-N 435.501 4.577 30 10 IJEE C=C([C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[Si](C)(C)C 1923025984 CSIQOWRTUIUVQE-ZJSXRUAMSA-N 431.697 4.568 30 10 IJEE C[C@H](C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)c1 1957733003 GRFCSJURYITZKY-UPCLLVRISA-N 426.472 4.859 30 10 IJEE C=CC1(C[C@@H](NCC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCC1 2002629969 JARUEBKWHVHTDU-ATIYNZHBSA-N 427.633 4.880 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022278971 GSQDVVLAQMHTSO-OFVILXPXSA-N 427.589 4.739 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@]1(O)CCN(Cc2ccccc2)CC12CCC2 2037432711 RLXSAEXAGCVEMC-IAPPQJPRSA-N 434.624 4.545 30 10 IJEE N#CCCN(C(=O)COC(=O)C(=Cc1ccc(F)cc1)c1cccs1)c1ccccc1 2040422539 XPADRKWFPKRWFN-UHFFFAOYSA-N 434.492 4.918 30 10 IJEE CC[C@@H](C)[C@H]1CSC(=Nc2cc(Br)ccc2I)N1 2081319022 JLAGJFWZQAXOQX-PRHODGIISA-N 439.160 4.792 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)c(Cl)cc2C)C1 2082754061 UTAADXLTSSEWQG-UHFFFAOYSA-N 429.742 4.963 30 10 IJEE CCCCCCC[C@@H](NN)c1ccc(Br)cc1I 2086144901 GETVGVOFZDXJLP-CQSZACIVSA-N 425.152 4.919 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)CCCc3ccc(Br)s3)CC2)OC1(C)C 2150480366 GGHNKUROWSULOS-UHFFFAOYSA-N 440.212 4.623 30 10 IJEE C=C(CNCCC)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2165102828 TXOORQKLKHCWGC-UHFFFAOYSA-N 440.426 4.726 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Nc1cc(Br)cnc1C#N 2167614618 URAQKJWSELUULK-GUYCJALGSA-N 435.366 4.601 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3Nc1cc(Br)c(C#N)cc1F 2169552213 PBBKNFCAOJNENC-BAXBYIJNSA-N 436.325 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(Br)cc1C#N)CC2 2174808513 PBFIAFHDWWCAIR-UHFFFAOYSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](O)C#Cc1ccc(Cl)cc1 2212477066 YVGHAGAGFHBUEA-YADHBBJMSA-N 429.944 4.553 30 10 IJEE CCCc1ccc(C#C[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223326782 QZDKYEVDZSPIFO-KSNOWIBYSA-N 436.596 4.817 30 10 IJEE COc1ccc(C#N)c(Nc2ccc(Br)cc2I)c1 2231656313 NXUNSAOKWWWJGZ-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE C=C[C@@]1(Oc2ncc(C(F)(F)F)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2232224673 ZVBNAFNVCBQWAY-MRXNPFEDSA-N 437.256 4.807 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@H]2CNCC[C@@H]21 2233794941 MQCFJCBVSIGECK-XERREHJYSA-N 434.378 4.863 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 2235716129 DQGSWASQMHRQBL-MJGOQNOKSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2235749832 OHTJWXDWUOTEDZ-YNVMFWSZSA-N 435.406 4.670 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2247810803 AUYOJKRIGMQHBD-MRXNPFEDSA-N 425.403 4.797 30 10 IJEE C[C@H](C[C@H](O)C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296228656 BCODRRFSCLGOCF-YVWKXTFCSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](N)C#Cc2ccc(Br)cc2)C12CCCC2 2296288115 CGNMRKDLQCEDPH-RTBURBONSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@H](N)C#Cc1ccc(Br)cc1)C2 2296288911 LVZZUAIPSXVSOP-AABGKKOBSA-N 433.390 4.696 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2296291804 SEYOCHQGJUPMLM-HKUYNNGSSA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H]1CCCN1C(=O)OC(C)(C)C 2296300301 GJILCRQAYMKULT-RTBURBONSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@H](N)C#Cc1ccc(Br)cc1 2296302770 NUZRELADRLFMGE-DENIHFKCSA-N 429.358 4.568 30 10 IJEE CCCCCCCC1=NN2C(=N)C(=Cc3ccc(OC)c(OC)c3OC)C(=O)N=C2S1 2297463094 DOIYWYOBXIIKFZ-UHFFFAOYSA-N 444.557 4.692 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 2314522805 ZAPRFDMZWXZYES-XMMPIXPASA-N 428.488 4.976 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3C)cc2)cc1 2314548633 JTPWRUAFLYJHBL-UHFFFAOYSA-N 445.544 4.943 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317346266 GDAJDHVVAUDFBN-QZTJIDSGSA-N 430.354 4.551 30 10 IJEE CCc1ccccc1NC(=O)CSc1nncn1N=Cc1c(OC)ccc2ccccc12 2321239486 SJUXZJVVKDODCX-UHFFFAOYSA-N 445.548 4.615 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)CN(CCN(C)C)CO2 2322037203 JROLDTWEOUANBT-UHFFFAOYSA-N 440.543 4.992 30 10 IJEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2323387787 JBGBNNPZJYZYPK-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)c([N+](=O)[O-])c2)cc1 2323629819 OTWBKAJQFFRJGP-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OCC(=O)OCC(C)C 2323718621 IOMNXTYIYZUYHB-UHFFFAOYSA-N 438.520 4.906 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OC 2324107368 OWNVKGCEVONXPV-UHFFFAOYSA-N 449.906 4.640 30 10 IJEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NCc1ccco1 2324567776 AFBUYCOEJPOCJT-UHFFFAOYSA-N 433.504 4.805 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(Cl)c3)ccc2C1=O 2325716992 WOIVRDXSWIPPPQ-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(F)c2)c(Br)cc1OC 2325748313 GPZXQQSAAQZSFZ-UHFFFAOYSA-N 437.261 4.817 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccccc3OCC)nnc2SCC)cc1 2326823546 XLIJAPCAIBWCPM-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc[nH]1)Nc1ccccc1 2329524636 WMEHDMMCLJWRSH-UHFFFAOYSA-N 436.928 4.540 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccn2)c1 2330531920 ZWOAOMAJIDFXGW-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1sccc1C 2330684806 JNBRYNOZIWZFCK-UHFFFAOYSA-N 441.626 4.938 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)cc2)c(C)c1 2331101044 SQAPPRBNWQJTCM-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 2331174051 KXTFYJOKLYRKMM-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 2331472610 ICJQNCMPZSKOHH-IBGZPJMESA-N 435.597 4.637 30 10 IJEE COCCOCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2331489064 VSKUXWYCSOSOEX-UHFFFAOYSA-N 446.927 4.937 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccc(F)cc1F 2331645349 JDYJYSQESKZMIY-UHFFFAOYSA-N 443.523 4.684 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)C#Cc1cccs1 2338393917 XUPLPXALJDDLSU-QGZVFWFLSA-N 434.355 4.567 30 10 IJEE C#CCCCCCCC(=O)Nc1cc(I)ccc1Br 2352581752 CBUAXHLKHPWQIT-UHFFFAOYSA-N 434.115 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(Cc3ccc(Br)cc3C#N)C[C@@H]21 2361312442 SCQMXHSVZQFUFX-BEFAXECRSA-N 434.378 4.542 30 10 IJEE CC#CCCC[C@@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366647320 FQUTWOYEARUOCG-OCCSQVGLSA-N 425.763 4.601 30 10 IJEE Cc1cc(CN[C@@H]2CCCCCN(Cc3ccccc3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369686455 VDZWSLFQCRAHOG-AREMUKBSSA-N 448.460 4.829 30 10 IJEE C=CCN(C[C@@H](NCCC)c1c(OC)ncc(Br)c1C)C(=O)OC(C)(C)C 2370555214 KMWMTCPYYMGFBS-MRXNPFEDSA-N 442.398 4.625 30 10 IJEE CCOc1ccc(/N=C2/C(=O)N(CN3CC[C@H](c4ccccc4)C3)c3ccccc32)cc1 16691474 MPCQRFSKRKETHB-GCFMKTMMSA-N 425.532 5.000 30 10 IJEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)ccc1O 21241454 JEUOUKNXYABYJQ-AZUAARDMSA-N 435.520 4.582 30 10 IJEE CC[C@H](Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n([C@@H](C)c2ccccc2)c1O 38623238 JUOHCXJJXZGDRJ-JXFKEZNVSA-N 434.467 4.523 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)OCc4ccccc4)c3C)C2=O)cc1 41432513 WFQPWZMQMJEXSY-UCQKPKSFSA-N 430.456 4.742 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CCCCC3)C4)C2=O)cc1 41587299 PGQYIWIYIJVBAW-UUYOSTAYSA-N 433.504 4.882 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](COc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95084096 KCUHAKLFGWMVGX-FQEVSTJZSA-N 432.524 4.592 30 10 IJEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 102530348 TVKSCAWUSKTCBO-FXBHHXAOSA-N 440.710 4.715 30 10 IJEE CN/C(=N\c1ccc(C)c(C)c1)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 105534883 CFMHBSXVVBHRGB-QGZVFWFLSA-N 436.364 4.882 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(C)c1 169970593 OMCJBNVQRPENGY-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccn1 169996849 LYYXYFHZCKJLNQ-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccc(O)cc1 170136719 SJEGURZYEIFXSQ-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1cccc(O)c1 170263266 RMEWPNAOFGEYBC-IBGZPJMESA-N 441.867 4.789 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1C 170271244 SXABBSHPWWXGDJ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2C)c(OC)c1 170272098 FNWBTXWVLRFZSD-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(C)o2)cc1Cl 170301031 AFHKKCMORIDSOD-HXUWFJFHSA-N 439.851 4.739 30 10 IJEE CCOC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 170372056 PYOMWZFFTWHPAP-DEOSSOPVSA-N 441.483 4.575 30 10 IJEE CC(C)COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)c1 170420037 GPICWLRLPPGFIT-DEOSSOPVSA-N 442.515 4.895 30 10 IJEE CN(C)c1ccc(/C=N/N=C2/S/C(=C/c3ccccc3O)C(=O)N2Cc2ccco2)cc1 210654339 SZSCZZFSLYYEAP-WTGMLGSZSA-N 446.532 4.558 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1nc(C(=O)OCC)cs1 483369668 DUKLLQYJLFQIOY-LSDHHAIUSA-N 440.443 4.541 30 10 IJEE Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)sc1Cc1cccc(Cl)c1 504074375 VKXXYZTXAGYFBI-NRFANRHFSA-N 433.961 4.896 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 508884597 ISRSOCAFHJHPQK-JOCHJYFZSA-N 429.499 4.705 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 509013817 VAZZQBLVCVMRAJ-UHFFFAOYSA-N 443.595 4.748 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2cc(OC)c(C(=O)O)cc2Cl)c1 586014117 VEIABLWSKHFRET-UHFFFAOYSA-N 443.887 4.505 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 608941467 PKIOFXOBHNLCME-SDHSZQHLSA-N 427.548 4.546 30 10 IJEE Brc1cc(N=C2N[C@@H](C3CCC3)CS2)ccc1I 717649535 NSYUEYSQGPRUJY-GFCCVEGCSA-N 437.144 4.546 30 10 IJEE N#C[C@H]1CN(C(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)CCN1C1CC1 732650938 MSTHAWAWHWQYFB-NRFANRHFSA-N 432.527 4.867 30 10 IJEE COc1ccc2c(-c3ccccc3)cc(=S)n(CN3CCN(C4CC4)[C@@H](C#N)C3)c2c1 732672276 GZMXTQZWQWESLD-FQEVSTJZSA-N 430.577 4.676 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 742214361 DLNUBOHQOYFGDK-LJQANCHMSA-N 425.941 4.714 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(SC(=O)N(C)C)cc1 753062107 SIVWWCSTDNSOSU-UHFFFAOYSA-N 445.658 4.559 30 10 IJEE CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)n1 770436968 NMJKAFSPRWZLJE-BFTHVDOESA-N 428.819 4.795 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@]3(C2)OCc2ccccc23)c1=S 774704608 WGLCNZDKYHCMFW-RUZDIDTESA-N 432.593 4.670 30 10 IJEE C=CCn1c(SCC(=O)OCC(F)(F)F)nc2sc(-c3ccccc3)cc2c1=O 788480401 PQSHNZYIJKLBDT-UHFFFAOYSA-N 440.468 4.509 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@H]3CC[C@H]3C)C2=O)cc1 795181627 CYNDSJCRJHJKCR-VMDGZTHMSA-N 441.578 4.710 30 10 IJEE C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807247739 DVVUBPZGMFMMPA-INIZCTEOSA-N 443.528 4.869 30 10 IJEE C=CCOC(=O)c1sc2[nH]c(Cc3csc(-c4ccc(C)cc4)n3)nc(=O)c2c1C 917511898 RUBJWIQBCDPRPB-UHFFFAOYSA-N 437.546 4.659 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2CCCN(c3ccccc3OC)CC2)c1=S 1120464501 BKMHENVWWMVMHU-UHFFFAOYSA-N 449.624 4.754 30 10 IJEE C=CCN(C(=O)[C@H](C)N1CCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124352085 BODFOQLMBOXLGC-INIZCTEOSA-N 434.521 4.689 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(F)c(F)c1 1128248524 DUQIXFPFCBZQRZ-RHSMWYFYSA-N 430.442 4.591 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)cc(OC)c1 1137974447 NEIKHKYUTISLIE-INIZCTEOSA-N 427.339 4.646 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1139595374 XTNIUVQQTTTWRN-JOCHJYFZSA-N 441.616 4.503 30 10 IJEE Cc1cc(N2CCC(F)(c3ccccc3C(F)(F)F)CC2)n2nc(C(F)(F)F)nc2n1 1163159111 GQQVNRAZTHJUSN-UHFFFAOYSA-N 447.358 4.936 30 10 IJEE Cc1c(S(=O)(=O)NCc2ccnc(OC3CCCCC3)c2)sc2ccc(C#N)cc12 1186228885 BNLOXOADMTWPAY-UHFFFAOYSA-N 441.578 4.666 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCCC3)C(=O)OC 1188113989 CMTWWDAWYJNXQF-KRWDZBQOSA-N 440.590 4.763 30 10 IJEE C=C(C)[C@@H](NCC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1 1193574093 DFFHDPGUNUQXKK-RNODOKPDSA-N 428.401 4.948 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cc1F 1199533506 BRYXXRYSXRSZFX-UHFFFAOYSA-N 435.480 4.941 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1ccccc1 1213548846 PXLLLYOKFXOQNK-KRWDZBQOSA-N 439.331 4.733 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 1214728955 AOBACEDTDMWGFB-QGZVFWFLSA-N 430.483 4.852 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C 1219084480 NPWJOKZSJUKFNO-HNNXBMFYSA-N 448.336 4.896 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1 1224476495 AJJBNGYGQZLYOM-BBWFWOEESA-N 440.401 4.652 30 10 IJEE C=CC[C@@H](NC(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1)c1ccncc1 1228097291 IFOSJXWAWMJUFL-HXUWFJFHSA-N 438.528 4.650 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C)[C@@H]1CCOc2ccc(Br)cc21 1246754287 DCIVMHWYYJEDKK-OGNFBWPZSA-N 433.390 4.990 30 10 IJEE C=CCN(C(=O)CCc1cccnc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1264216010 MQOSVILPSPQCIX-UHFFFAOYSA-N 428.901 4.919 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCC[C@@H](C)C1 1286281924 JOEDFRWBGBSZBR-FGZHOGPDSA-N 437.632 4.560 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCCC 1286324690 OZALOCUSFVLQRL-HXUWFJFHSA-N 431.625 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCO[C@H]1C(C)C 1286419660 CFCGVLKBBBQOON-SDHSZQHLSA-N 432.612 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1286519925 PDMXZTKAGIXPGQ-GHTZIAJQSA-N 431.437 4.887 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1286534725 CNUNEFHEQBITKX-GUYCJALGSA-N 439.785 4.932 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1286538906 UAGXJTPCUSEHGC-AEFFLSMTSA-N 435.366 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1286671199 UMEZYIIFDXWSRH-UHFFFAOYSA-N 431.588 4.574 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1286694872 IZKZQECUFFQGNA-OALUTQOASA-N 428.577 4.787 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1286702009 JRBUJXNYFCELDP-UHFFFAOYSA-N 436.629 4.989 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCCn1ccnc1C)C1CC1 1286735258 SYGWNQHDHHPZHO-UHFFFAOYSA-N 428.943 4.878 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1286776873 ITVCSUQENZBHPJ-QHCPKHFHSA-N 437.632 4.608 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCc2ccc(Cl)s2)C1 1286804587 MURDIJWVSOEZAM-HNNXBMFYSA-N 432.952 4.823 30 10 IJEE CC#CCCCC(=O)Nc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc(Cl)c1Cl 1287339202 FSQGFMSBXDTKNS-KRWDZBQOSA-N 440.415 4.832 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291351197 UUBPEXOZAOKLFJ-UHFFFAOYSA-N 436.947 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1cccc(C)n1 1300289169 GLYNVTADJSLZPF-OAQYLSRUSA-N 431.584 4.774 30 10 IJEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CN(C)CCCC)CC1 1300403521 LBKLRELNFYNCQW-UHFFFAOYSA-N 432.616 4.788 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC(C)C)C(C)C 1300409871 VUZMHTDEFNIEQF-HXUWFJFHSA-N 431.625 4.677 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCO[C@H]1C(=C)C 1300650010 QURTUFZVJUVDIJ-RDGATRHJSA-N 436.575 4.771 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1[C@@H]1C[C@H]1CCC 1300654575 ZUBZCYDYFLARFH-ZJSXRUAMSA-N 431.584 4.800 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1300881792 RDCGSMLCSFSBBQ-HRAATJIYSA-N 441.938 4.750 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1300944691 DPCBMCDYPQTCDB-FDDCHVKYSA-N 440.588 4.712 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1300983881 RLXQCSQERIAYLT-UHFFFAOYSA-N 445.571 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2ccncc2)CC1 1301070674 SLLGOFVKSYOEFE-UHFFFAOYSA-N 442.336 4.641 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2CCC(C)CC2)CC1 1301092188 SCKJFZUQNSZSSI-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1301119486 KQFWODNYURUPDK-QFIPXVFZSA-N 437.632 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(OC)cc1 1301154929 BYOVEYUVRNRCIA-UHFFFAOYSA-N 444.583 4.764 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CC=C(C(F)(F)F)CC1)C(C)C 1301366705 HOPKRPHAHYYHIA-IBGZPJMESA-N 425.543 4.799 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1301428380 HDAQQJTXFFWGOZ-FQRUVTKNSA-N 444.575 4.812 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(Cc2ccsc2)CC1 1301433175 MBRRZQDSQOAUAG-QGZVFWFLSA-N 444.004 4.641 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1301435911 ZWFXZUVDKQGKRN-IBGZPJMESA-N 445.558 4.825 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1301469035 WGFFGQBDMHKBQT-UHFFFAOYSA-N 436.581 4.821 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCSC[C@@H]2c2ccccc2)n(-c2ccccc2)c1C 1307475539 BWUMXICLJVBZMT-HSZRJFAPSA-N 430.577 4.694 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1OCC 1308185358 MHTATNPDDBMLGF-FQEVSTJZSA-N 445.401 4.777 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1OC 1308332765 DCXBEYNXFXBFOV-CTNGQTDRSA-N 449.364 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 1310357816 SBQFGJLKPYUDRD-PBHICJAKSA-N 436.375 4.599 30 10 IJEE C#C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)C1 1311453025 ZKXYUWTZRXZANL-GCJKJVERSA-N 439.650 4.624 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)c1ccc(F)c(F)c1 1312180712 WJULHXSTYOBODD-LPHOPBHVSA-N 425.520 4.821 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H](O)C1 1314729338 FWRSEIQWJRQOIW-AEFFLSMTSA-N 441.988 4.719 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1CCSC(C)C)[C@H]1CC[C@H](C)C1 1316075312 BLNOIXARMSPFOO-RXVVDRJESA-N 427.618 4.600 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)C1 1342262605 HYKIQFZIXIJOAR-HXUWFJFHSA-N 431.330 4.837 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCC[C@H](OC)C1)c1ccc2c(c1)OCCO2 1350583126 MEVVPNDOHXLWHJ-UGKGYDQZSA-N 437.536 4.761 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 1351335399 BVSYDDYDBPUFDU-UHFFFAOYSA-N 447.000 4.978 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(I)cc2C)cc1OC 1351742284 YNORROPSNMMPMZ-POHAHGRESA-N 449.288 4.825 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 1352428568 ARQOIZJWTZYBIH-UHFFFAOYSA-N 425.238 4.779 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H](C)N1C(=O)OC(C)(C)C 1353555421 CHLKFYPZUAAILX-KDURUIRLSA-N 449.551 4.607 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)CN1CCCCC1 1358877719 JRVTVQPGXRPTDG-ZCNNSNEGSA-N 439.673 4.711 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 1358898597 WPHCKDLXTGWCGM-HXUWFJFHSA-N 447.583 4.552 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359053788 YJKOFUIOUQFGGS-FXAWDEMLSA-N 435.424 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(C(F)(F)F)c1 1359110085 ZSMASMKMXDFRPD-UHFFFAOYSA-N 431.462 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(Br)s1 1359112492 LLKDTWSEDNUZJW-INIZCTEOSA-N 439.423 4.989 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1359117493 CPOUAZGELMMNIC-RTWAWAEBSA-N 433.556 4.664 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359190108 FGFFZJSZIUVJGR-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl 1359197500 QYZWIJLODQLEBU-UHFFFAOYSA-N 442.926 4.711 30 10 IJEE C=CCCOCCn1c(N2CCC(CCN3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C 1359229808 VSQCQYMVADMANE-NRFANRHFSA-N 431.669 4.649 30 10 IJEE C=CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCNC(=O)OC(C)(C)C)C1CC1 1359249058 MWZFRLMPCBAZMA-UHFFFAOYSA-N 448.571 4.563 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C#N)o1 1359268888 GWFTXOALBKVQPD-UHFFFAOYSA-N 442.292 4.538 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H](F)c1ccc(Br)cc1 1359269694 MCWXUYCRVMAGFF-GOSISDBHSA-N 442.336 4.992 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1359312292 RBIDOYLVOLFVDP-XUZZJYLKSA-N 437.632 4.858 30 10 IJEE C#CCN(C(=O)Cn1c(C)cc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 1360557348 VMQVNAAJNWGFPH-NRFANRHFSA-N 437.337 4.698 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/C1(C)CCOCC1)c1ccc2c(c1)OCCO2 1443632008 HLUKZYOSZWCRHJ-ZHACJKMWSA-N 449.547 4.929 30 10 IJEE C#CCN(C(=O)c1cc(Cl)nc(CC)c1)[C@H]1CCOc2ccc(Br)cc21 1456450466 RLGYDPSREMGEKR-KRWDZBQOSA-N 433.733 4.659 30 10 IJEE CCc1nnc(N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c(C#N)c1CC 1458668635 AETLANKIVPIOKB-UHFFFAOYSA-N 449.599 4.536 30 10 IJEE C=CCn1c(SC[C@H]2CCCC[C@@H]2C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 1458722478 BSINFDZXYJUSTC-CVEARBPZSA-N 446.638 4.984 30 10 IJEE C=CCc1cc(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)cc(OC)c1OC 1459266149 RNIKXGFBWBUXIY-UHFFFAOYSA-N 448.544 4.861 30 10 IJEE CCCc1c(NC(=O)NC[C@@H](C)COc2ccccc2OC)cnn1-c1cccc(C#N)c1 1466215426 AZSZZTJUCSYXNP-GOSISDBHSA-N 447.539 4.542 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1468411665 NUOAWNIODCJTOJ-SFTDATJTSA-N 445.485 4.813 30 10 IJEE C#CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCOc2ccc(Br)cc21 1473169431 XJCVFVHZJMKNND-IEBWSBKVSA-N 449.389 4.607 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 1476103547 XVZYPILSFHDMAX-KRWDZBQOSA-N 430.346 4.804 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1 1476113644 NMASUABJKIUIRC-UHFFFAOYSA-N 436.899 4.874 30 10 IJEE CCCc1nc(C)c(Cn2c(CSc3ccc(C)cc3)nnc2N(C)[C@H](C)CC#N)o1 1500222529 CVDCHEAYFHBIKH-QGZVFWFLSA-N 438.601 4.914 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1Cc1ccc(Cl)s1 1504873603 HUJHGMXGPCSQPZ-UHFFFAOYSA-N 441.988 4.833 30 10 IJEE COCCN(CCC#N)c1nnc(CC(C)(C)C)n1Cc1ccc(C(F)(F)F)cc1C 1504888029 HFCKSLYRZQPZEP-UHFFFAOYSA-N 437.510 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ncc(CC)s1 1507547161 NDKYRLXKCZGKMD-AWEZNQCLSA-N 432.018 4.749 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)[C@@H](C)CC 1507679042 QFDNELJSXZUVFQ-FQEVSTJZSA-N 432.616 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCSC 1507761738 JPJRWJPGKATXDU-XMMPIXPASA-N 436.581 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CC(F)C1 1507793314 CYFWPSUUTDUDLW-RNFLVTLCSA-N 436.934 4.903 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)c2cccs2)CC1 1507831049 YTSJKYBQELXBLF-UHFFFAOYSA-N 436.581 4.614 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1507832602 HJIRNHIQOWDDAU-GCJKJVERSA-N 445.007 4.831 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=C)Br)CC1 1507895955 FYHURZTXESVWQT-HNNXBMFYSA-N 435.341 4.868 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1507915532 CEDDMKSRMZFOGU-RTWAWAEBSA-N 428.577 4.901 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1507939915 VDIUQKSAYINVFR-NRFANRHFSA-N 437.613 4.762 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507956803 RWRJIZZEBQGSPL-LJQANCHMSA-N 444.023 4.787 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCSC1(C)C 1508000757 DIAAITPQQMHNBM-NHCUHLMSSA-N 437.613 4.726 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC2(CC1)C(F)(F)C21CCC1)C(C)C 1508011582 TXOARPDHJNLFHE-FQEVSTJZSA-N 433.591 4.691 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)c1c(C)noc1C 1513216067 CLBSQIQUYBYRJP-SRDOKRBCSA-N 436.535 4.671 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1=O 1519602681 IPSIZSRMRLATRO-WOJBJXKFSA-N 432.948 4.558 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 1522393189 UGBYNJNCUOQYFR-GOSISDBHSA-N 447.478 4.523 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)C1=O 1524314670 SAJULIQNOMYSCF-NRFANRHFSA-N 446.572 4.853 30 10 IJEE C#C[C@@H](NC(=O)CN(C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 1525054416 MYTZKFCPDKJNDM-JOCHJYFZSA-N 447.332 4.587 30 10 IJEE C=CCc1cc(CNC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 1527046312 CJYRXGVOAQUKPS-UHFFFAOYSA-N 437.458 4.925 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)ccc1Br 1527158339 GVQWHXBMKGXWOL-LSDHHAIUSA-N 425.204 4.962 30 10 IJEE C=CCN(C(=O)COC1CCN(C)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1531353829 HDZSEEJUJMEWIM-UHFFFAOYSA-N 440.396 4.747 30 10 IJEE CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cccc(COc2cccc(C#N)c2)c1 1534865811 DEEIPQYSMBPWCB-VWLOTQADSA-N 442.515 4.904 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)cc1 1537696801 ADCUPDLNIGRTNX-UHFFFAOYSA-N 441.484 4.828 30 10 IJEE CN(C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)c1ccc(C#N)nc1 1537998278 FSPUIOCTSGEMRC-UHFFFAOYSA-N 445.832 4.576 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](CC(C)C)N(C)C 1538977003 RQVFIUYKYGTAPY-HYBUGGRVSA-N 446.643 4.787 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC1CCC(OC)CC1 1538985476 AGRCUSPYRJZPJT-MUYFXNHWSA-N 430.980 4.660 30 10 IJEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1539084965 GMDBEYCEUNUZJG-LEDOBFOHSA-N 436.556 4.749 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@@H](F)c1ccc(Br)cc1 1539325303 GJPQKRMKIMRFEZ-LJQANCHMSA-N 445.380 4.803 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C)[C@@H]1C 1539524921 QLPRSHVPXJYJLA-HKUYNNGSSA-N 447.048 4.853 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@]2(CCCOC2)C1 1539586725 UWYURXDPUPCLIL-IBGZPJMESA-N 437.769 4.514 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1539744365 JSVARCSPMPGFHZ-UHFFFAOYSA-N 440.563 4.767 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)C2CCCCC2)CC1 1539878070 QJIQRRJEKMCWBK-UHFFFAOYSA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C[C@@H]1CCCO1 1539912419 IFCGOJUFFLLHDQ-QFIPXVFZSA-N 434.588 4.738 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCCCC2)CC1 1539955446 XYMLLPFDFPNMQP-UHFFFAOYSA-N 429.012 4.805 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1539986084 SZNJJBNLPHYFLY-IBGZPJMESA-N 443.345 4.845 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CN(C)CCC)C1 1539991710 QOWMITLKHCFFJD-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C(C)C 1539999787 RPBDJSJUWPGJQO-OAQYLSRUSA-N 434.588 4.827 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C1CCC(C)CC1 1540000100 YVNOLCHIFYCOJQ-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCN1CCCC 1540057621 ANTJOAUKSOEUBF-LJQANCHMSA-N 432.012 4.884 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1540101991 DNLJQYFWHFXFAK-UHFFFAOYSA-N 435.475 4.632 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1546688063 FSKBQKKJNPQADE-FNZWTVRRSA-N 434.632 4.954 30 10 IJEE C=C[C@@H](CC)CC(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1556981786 PQIJRHNLCZEGJY-SFHVURJKSA-N 444.620 4.833 30 10 IJEE C[C@H]1CN(c2ccc(NCc3cccc(OCc4cccc(C#N)c4)c3)cn2)C[C@@H](C)O1 1560458704 BVXGYWKKVRTDKY-BGYRXZFFSA-N 428.536 4.758 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 1561745352 PCZXDYHXPSLPLB-NZSAHSFTSA-N 427.994 4.701 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](CN(C)C)c3cccc(C(F)(F)F)c3)cc21 1563315729 PDKRFLVCDLCQHE-IBGZPJMESA-N 431.462 4.666 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 1563953880 SLGQOZWHNXKOBU-UHFFFAOYSA-N 445.822 4.519 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cc2cc(Br)ccc2o1 1565287453 CCVRBWLKXJTBCH-UHFFFAOYSA-N 433.302 4.569 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 1568492151 CVHAUVSRHQFGEH-JOCHJYFZSA-N 432.911 4.550 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)o1 1584154424 BHYMUDAXXTVJPJ-UHFFFAOYSA-N 435.505 4.876 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCS[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 1586670910 OYNCQIWJDUGQFM-NHYWBVRUSA-N 443.425 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1587594397 VYZWGSIMKDBQBP-KRWDZBQOSA-N 445.995 4.704 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(C)(C)C)CC1 1587812740 AVARWMWPPOOOTA-UHFFFAOYSA-N 448.640 4.711 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(C)CCCS1 1588006969 WCOPNYAVMUMFHY-JOCHJYFZSA-N 433.021 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1C[C@@H](C)O[C@H](C)C1 1589242498 BTYVUOATHMYFTJ-IPVFLDMMSA-N 436.600 4.670 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1594738602 AZNFJFKZXVBIFJ-OAQYLSRUSA-N 428.024 4.801 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1 1594783785 ITFRMHPYUZKHLC-DLBZAZTESA-N 437.009 4.606 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N(C)c1ccccc1 1594907127 PELHNAQYCKYBMF-HNNXBMFYSA-N 446.418 4.916 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCn2ccnc21 1595191129 NPWPCSHSPRYEAQ-INIZCTEOSA-N 426.927 4.690 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@H]1C 1595233959 AWGBXGJRTXFLOK-AEFFLSMTSA-N 440.389 4.927 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1ncc(C)s1 1595261623 SYAMVQLYWPRORI-PXNSSMCTSA-N 441.601 4.916 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1595343339 JOVWQFDNAOGKFC-SFHVURJKSA-N 441.377 4.548 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(C)cs1 1595884064 GUQJSEKLUKPZNH-HXUWFJFHSA-N 442.610 4.716 30 10 IJEE C#Cc1ccc(NC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 1598568194 RFAPSTVWQVPCMH-UHFFFAOYSA-N 427.932 4.947 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CCC(=O)NC(C)(C)C 1606951345 CQUNUHWRXNAVHH-UHFFFAOYSA-N 445.011 4.669 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)CCc2cccs2)C1 1614811647 BSBNYZJQSHYATE-NRFANRHFSA-N 448.640 4.679 30 10 IJEE C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1616285230 USHCUQHIASTGDY-DNMVVKLTSA-N 431.298 4.858 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CCCC1 1617474900 PNIFWVMWNRFYKD-UHFFFAOYSA-N 448.629 4.516 30 10 IJEE COCC1(CCn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@H](C)C#N)CCC1 1619636799 FPDUGDJZWSKUMF-ZWKOTPCHSA-N 441.645 4.934 30 10 IJEE COc1cccc2c1OC[C@H](NC(=O)Nc1ccc(Sc3ccccc3C#N)cc1)C2 1624848515 CSGWKIXODVRJEK-LJQANCHMSA-N 431.517 4.843 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCc1cccc(C(F)(F)F)c1 1626790288 IIROPAYYAWMHSI-UHFFFAOYSA-N 429.442 4.819 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(O)cc2Cl)nnc1-c1ccc(Cl)cc1 1629187794 UQZQPAOYXXESOM-UHFFFAOYSA-N 435.336 4.874 30 10 IJEE C#CC1CCN(C(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1630856438 JULLRGFZUMLALZ-SANMLTNESA-N 444.575 4.764 30 10 IJEE C=CCC[C@@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1ccc(C(F)(F)F)cc1 1633471893 WKRUPCBRZSZZMS-GOSISDBHSA-N 425.495 4.838 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 1633662166 GPICKMJJJTXFNW-JXFKEZNVSA-N 443.906 4.635 30 10 IJEE C#CCN(C(=O)/C=C\c1csc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1634817339 AGPRACVIRMNPPQ-SREVYHEPSA-N 442.503 4.641 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccccc1)c1ccccn1 1637747931 MSMOQMZQLKVCNG-PZJWPPBQSA-N 443.975 4.560 30 10 IJEE C=CCN(C(=O)Cc1nc(C2CCCC2)cs1)[C@@H](Cc1ccccc1)C(=O)OCC 1638617690 ODXWOEAYTCJNFM-NRFANRHFSA-N 426.582 4.532 30 10 IJEE CCOC(=O)c1c(NC(=O)CN2CCC[C@@](C)(C#N)C2)sc(Cl)c1-c1ccccc1 1645005361 GUMMXKBDSRZFTB-QFIPXVFZSA-N 445.972 4.809 30 10 IJEE C#CCN(CC(=O)NCc1cccc(COCc2ccco2)c1)[C@H]1CCCc2ccccc21 1648423971 KULONLOKXVCRFJ-MHZLTWQESA-N 442.559 4.625 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1650972044 GGDYTCVQCXVBML-XUDLPTGHSA-N 437.521 4.579 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1650974947 WHDZZWYCILCFQV-CUXKYVRBSA-N 447.641 4.840 30 10 IJEE C=CCn1c(SCCOc2ccc(Cl)c(F)c2)nnc1[C@H]1COc2ccccc2O1 1656074715 VWVGUAYPWQGDRC-LJQANCHMSA-N 447.919 4.940 30 10 IJEE C=CCn1c(SCc2cc(Cl)n(C)n2)nc2sc(-c3ccccc3)cc2c1=O 1656183860 XTZYESCKAUYCLN-UHFFFAOYSA-N 428.970 4.990 30 10 IJEE CCCCN([C@H](C)c1ccc(C)o1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1659802922 HPNSCQGWKOQLHN-CYBMUJFWSA-N 443.338 4.913 30 10 IJEE C=CCCCCCN(C)S(=O)(=O)c1cc(Br)ccc1Br 1660369141 ZVRLGOMTRXUXIQ-UHFFFAOYSA-N 425.186 4.579 30 10 IJEE Cc1cccc(NS(=O)(=O)c2cc(NC(=O)N[C@H](C)c3cccc(C#N)c3)ccc2C)c1 1662184312 AOFDSCPSABUFAL-GOSISDBHSA-N 448.548 4.859 30 10 IJEE C#C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)c1ccc(Cl)cc1 1662357526 GZXFLJNXDVQQBG-MRXNPFEDSA-N 433.154 4.550 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1OCC(F)(F)F)c1ccc(Br)cc1 1667107252 WMXHICQNYFCBEX-INIZCTEOSA-N 441.247 4.564 30 10 IJEE C#CCN(C(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)C1CSC1 1671502327 HIEDRWIZAPRSRP-UHFFFAOYSA-N 435.318 4.963 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCCC[C@H](NC(=O)OC(C)(C)C)C3)cc2n1 1673220917 SRUQLFQFAKPDKA-IBGZPJMESA-N 427.549 4.524 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(F)c(Br)c1F)c1ccc(Br)cc1 1673731667 RDVACSFQHOQARG-GFCCVEGCSA-N 444.073 4.986 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc1 1673819851 NDXQUBFUZCHCPI-HHHXNRCGSA-N 443.547 4.973 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 1675668321 ZXITUNVSYPCRTA-UHFFFAOYSA-N 430.346 4.566 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)NCCc2ccc(OC(C)(C)C)cc2)ccc1OC 1679046702 HCDKSHRHZGZUNP-HXUWFJFHSA-N 439.556 4.595 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(C(F)(F)F)cc1 1679968282 NLKQPNNBAMJLKN-PCCBWWKXSA-N 439.522 4.655 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1)c1ccc(F)c(F)c1 1680280436 NLBIQPYZKFFCNP-JWWGGVBKSA-N 449.542 4.917 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CSc2ccc(Br)cc21 1680741096 BFZCFHIYMFCYOB-ZWKOTPCHSA-N 428.355 4.844 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1680822958 DNIDKYZEEJJDDI-HRAATJIYSA-N 429.351 4.821 30 10 IJEE C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 1681283078 BWRSTNCBEWSCTO-IBGZPJMESA-N 425.536 4.781 30 10 IJEE C#C[C@@H](NC(=O)N(CC)CCOc1ccc(Br)cc1)c1ccc(Cl)cc1 1683676790 VSTLQABLNOCZLW-LJQANCHMSA-N 435.749 4.887 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 1683765131 FKYSSPWDIOTSNG-IBGZPJMESA-N 429.996 4.732 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC(C)=C(Br)C1 1689939839 FCBGDJPTYVIHMX-UHFFFAOYSA-N 443.389 4.712 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@@H](C)C1 1690036928 GRNFTXNMZAMHCU-HZPDHXFCSA-N 431.403 4.668 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690220899 DPQVAIIVMKEYRH-RDJZCZTQSA-N 437.769 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CC)CC1CC1 1690241421 SABGIXBVXBLCPQ-UWJYYQICSA-N 430.980 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1690248819 PYMHWDLYLPSJAE-XMSQKQJNSA-N 426.948 4.733 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1690260482 MNPLJSULXBHVEO-FGZHOGPDSA-N 434.632 4.977 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC(c2ccsc2)CC1 1690307076 NXFKAZLXIBDTEP-UHFFFAOYSA-N 438.597 4.992 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1690455374 HGXUQECGZZABAB-MFEFFIJZSA-N 448.970 4.867 30 10 IJEE C=CCCCCn1c(N(CCO)Cc2ccc(Br)s2)nnc1C(C)(C)C 1690467646 DLTURYDOJSDYKA-UHFFFAOYSA-N 441.439 4.755 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCN(CC)C1 1690515903 WTAMBUIBATYCFW-MOPGFXCFSA-N 432.012 4.652 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H]1C 1690558165 GZUDOFGTLIPMHA-KUHUBIRLSA-N 437.345 4.681 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C)c(C)s1 1690601070 PSZRVTIYEPPRTP-UHFFFAOYSA-N 429.977 4.811 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCS2)C1 1690690413 YDPMJAQUGKNSGO-NHCUHLMSSA-N 426.630 4.920 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1693631070 DLJOGXVDENHJFW-NSISKUIASA-N 447.505 4.801 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@](C)(CC)C1 1705513503 OJRHPXCGENXRFS-NRFANRHFSA-N 431.378 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)C1CCCCC1 1705710572 YMHZUTBNSHMCOQ-FDDCHVKYSA-N 428.552 4.746 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC1CC1 1705710732 ZKWAKXCDXGGXHK-XMSQKQJNSA-N 430.980 4.728 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 1705722741 YFEYVAZLXOBHHZ-CYBMUJFWSA-N 441.320 4.774 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1705726741 CMIVXMLLYHOBRJ-HXUWFJFHSA-N 445.405 4.927 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1705732307 VGDHQLNZMLZDSJ-FQEVSTJZSA-N 437.500 4.689 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1705763826 GGDCGXTXYCNBPE-LPHOPBHVSA-N 448.409 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705790577 ACCWTEBEROXHGR-UHFFFAOYSA-N 436.579 4.875 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705793712 HJHZJQVDUDFTOO-QFIPXVFZSA-N 444.627 4.577 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](c1cccs1)N(C)C 1705834093 DHIGCFXABJOMNC-SJLPKXTDSA-N 429.565 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C1CCCCC1)N(C)C 1705836021 BFLVZAKGXMYIAZ-FQEVSTJZSA-N 433.547 4.679 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1oc(CCC)nc1C 1705859130 IWGPHBICEUMWML-UHFFFAOYSA-N 428.540 4.830 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C)C(C)C 1705867728 UMENIJOCNUOXGD-WXFUMESZSA-N 444.627 4.608 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(O)(CC)CC)C1 1705920004 OHVGZTYLPYKDOT-LJQANCHMSA-N 444.645 4.608 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCSC1 1706079249 HHAPZSYMJPFYMF-MOPGFXCFSA-N 441.645 4.894 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(OC2CCCC2)nc1 1707636863 FZRGQXXURVMCTO-IBGZPJMESA-N 430.556 4.757 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCn2ccnc21 1722417003 UCQUUYWXIINHLL-NRFANRHFSA-N 446.599 4.523 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1722490373 WGPSEBPHIRPBEJ-QGZVFWFLSA-N 447.377 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCS[C@H](C(C)C)C1 1722495831 IDDCOMHGKKOSIE-HJNYFJLDSA-N 426.630 4.813 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1CC 1722504533 ZUXTYBMLRVDXEO-YDHSSHFGSA-N 442.629 4.939 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722583869 REAFCXSLSFPWTD-IBGZPJMESA-N 444.645 4.837 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1722597478 SXIILRCXESQRRX-HSZRJFAPSA-N 442.567 4.865 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCCCC1 1722654520 PEQHAPORGQGTSJ-OAQYLSRUSA-N 434.632 4.762 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H](C(C)C)N1CCCC1 1722662848 MSTNBHKBRNZKOH-JOCHJYFZSA-N 438.645 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCN1CCCC 1740533720 CRYLEQCVKPZIPI-PCCBWWKXSA-N 441.595 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)c1ccccn1 1740534787 KDGWOYCHUXRNCN-PMACEKPBSA-N 447.583 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(c2ccccn2)CCC1 1740557988 BPBKYRDOTMRMGO-FQEVSTJZSA-N 431.609 4.854 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1740571473 ZQXWCVVLPAQTKH-GOSISDBHSA-N 426.977 4.903 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(F)cc1C(F)(F)F 1740657393 XXFXSDWNGIVQRZ-UHFFFAOYSA-N 432.465 4.680 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)[C@H](C)CC 1740663221 CRLVQDZHRVTZAL-YLJYHZDGSA-N 437.613 4.898 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H]1C 1740687999 JZCIXLGIOUOSME-ZWKOTPCHSA-N 433.021 4.746 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CC(C)C)C1 1740708947 GRQLIZNHCQCGSP-OALUTQOASA-N 430.593 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](CC)C1 1740764156 UVKXJEOKZRHEMG-KJWPAHLWSA-N 438.616 4.680 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(C#N)CC1 1740788289 RFDVGJZXPUUROJ-NRFANRHFSA-N 437.588 4.758 30 10 IJEE C=C(Cn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1740800018 DAKJYHKJLIGNHN-ZEQKJWHPSA-N 438.616 4.905 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](OCCC)CC1 1740802610 AXWWKAKKKHBOOP-IBGZPJMESA-N 440.979 4.873 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1740827704 HNPOWUFBXZPOGV-KRWDZBQOSA-N 449.571 4.642 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1740861286 ICBCHIQTOMLTLW-KRWDZBQOSA-N 429.977 4.989 30 10 IJEE CC(C)(C)Oc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1741983866 FYYQZCSHWQZLEB-VWLOTQADSA-N 448.546 4.835 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CCOc2cccc(Cl)c2)n1 1742318350 AEFMKDHHURZFNC-UHFFFAOYSA-N 436.947 4.511 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2cccs2)ccc1OC(C)C 1748513695 DLIOGBRUIOLRPD-QGZVFWFLSA-N 439.585 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)CN1CCCCC1 1748651540 OQBPQNZTMMGNBP-UXHICEINSA-N 439.673 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CC(C)C)CC1 1748684402 IQXWSGXWXCYCME-QGZVFWFLSA-N 445.405 4.904 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCC(F)(F)CC1 1748876658 OSAUFWDEPUOZLA-UHFFFAOYSA-N 446.929 4.896 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H](C)Cc1ccc(OC)cc1 1749072492 PHFJRYVHUUQVCJ-UQBPGWFLSA-N 434.609 4.810 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1749101668 FHXPXDFQHJPTIX-HXUWFJFHSA-N 445.405 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccccc1C 1749135901 JKJONZFRBXSZAF-FBLLAGFSSA-N 448.615 4.627 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC1(C)C 1749218403 NTMOLTRKRKUEAA-UHFFFAOYSA-N 433.394 4.988 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2ccccc2)C2CC2)CC1 1749323755 LCQWHLLVSCKDIV-HSZRJFAPSA-N 435.616 4.793 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)CCC)CC1 1749331101 VCDGEYJGGVTTGK-OAQYLSRUSA-N 433.394 4.661 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1CC1C[C@@H](C)O[C@H](C)C1 1749529559 HOAALYLTYUEGPZ-WOJBJXKFSA-N 426.605 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1nc(C)cs1 1749550720 HNMRPBWPKZQMBS-HNNXBMFYSA-N 439.614 4.501 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CCNc1ncc(Cl)cc1Cl 1749552875 CEQMBTXUFXGDBA-UHFFFAOYSA-N 437.400 4.909 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC1(COC)CCC1 1749564961 GUUXJZPTRMTWLS-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)OC2CCCC2)cc1 1749686550 VRKRWQGNLBXCLI-UHFFFAOYSA-N 439.585 4.557 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(C)C)C1 1749749077 GMRHVPUMRKLFEU-IBGZPJMESA-N 428.602 4.508 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)C(C)(C)C 1750252357 GVJBHFUIQVNKNM-ZCNNSNEGSA-N 439.629 4.599 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccsc1)N(C)C 1751090755 AHMSMNSQVUKFEV-KXBFYZLASA-N 428.993 4.701 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1cccnc1)C(C)C 1760123369 DSKDUKZIQBFWKA-PGRDOPGGSA-N 437.975 4.803 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccoc1C 1760309033 ZNHNFFAFNQVUHL-UHFFFAOYSA-N 437.288 4.594 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(CC)C1 1760350839 UOJNVONZYKHRPP-NRFANRHFSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cccc(C(F)(F)F)n2)CC1 1760390428 GAPLZUPPELBVHB-UHFFFAOYSA-N 449.427 4.766 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2ccnc2C)CC1 1760392617 XKXLVLHIXGWHQM-UHFFFAOYSA-N 434.588 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](COC)C1 1760408200 FXKKFBSJPBUMJL-MRXNPFEDSA-N 439.387 4.706 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCSC1 1760424965 AKRGURRCZRJMQM-MOPGFXCFSA-N 449.665 4.691 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1Cc1ccc(N(C)C)nc1 1760499369 WMLQGKJVWXGPIA-UHFFFAOYSA-N 430.600 4.680 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 1760566980 LYLTUXBTVXSXQE-INIZCTEOSA-N 428.499 4.706 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 1760569537 REFQIXRKIPFERN-UHFFFAOYSA-N 425.602 4.520 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21)N(C)C 1760980137 GTOJYECSVJFGPV-UQAQOTMJSA-N 434.632 4.808 30 10 IJEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)CCO1 1764356533 DASZCTJGGMVPRO-BVAGGSTKSA-N 444.583 4.657 30 10 IJEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1768777126 HFPZMAFHQPNTOG-HSZRJFAPSA-N 425.602 4.641 30 10 IJEE CCOc1ccc(CCn2ccc(=O)c(OCc3ccc(C#N)cc3)c2C)cc1OCC 1857909547 BDAXSRBBWKHFGD-UHFFFAOYSA-N 432.520 4.648 30 10 IJEE CC(C)c1ccccc1NC(=O)COc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858829804 ZLYFQZBOGUBKIX-UHFFFAOYSA-N 429.480 4.738 30 10 IJEE C[C@H]1CN(C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)C[C@@H](C)O1 1858955116 WMNDVRDKINKLFY-CALCHBBNSA-N 429.476 4.572 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)c1ccccc1 1861949368 LYCKTOVHMUNFHQ-GLBTYYSXSA-N 439.353 4.520 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1862222377 MCIROXRMSOCEIW-OAQYLSRUSA-N 435.008 4.991 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379645 HHSFYXAIQLYDFZ-DNVCBOLYSA-N 432.303 4.751 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1862446091 KYRKUOUTVPPEDG-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)cc1 1862455834 DAYYOFZLBAVCHF-FQEVSTJZSA-N 427.378 4.784 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862476471 AQMUXXPFXHZCRY-QFIPXVFZSA-N 432.545 4.901 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862479284 CNALSMQJYXQUBW-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(F)cc1F 1862491618 XOODUUDNADEZRX-JOCHJYFZSA-N 442.506 4.502 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862537058 NDKWGLVXTQQCNT-HSZRJFAPSA-N 437.536 4.978 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)c1 1862597199 SHTMLCWIKUJFRF-JOCHJYFZSA-N 433.460 4.553 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862667526 DKSWAWWZOIRORY-IBGZPJMESA-N 434.319 4.687 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(O)c2)c1 1862699322 SJNLGIBGJJSZNR-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE Cc1cc(C)cc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862946180 AKNICWCOVDIBRD-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1ccccc1C 1865010572 HNTIHHVIZTUCAW-NRFANRHFSA-N 438.616 4.945 30 10 IJEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868242761 QZWSFBLBDNPLIC-QHCPKHFHSA-N 442.542 4.774 30 10 IJEE CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C#N)nnn2-c2cccc(C(F)(F)F)c2)cc1 1870145583 HIERBPBVXZXKDJ-AWEZNQCLSA-N 443.429 4.687 30 10 IJEE CCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccc(C)cc1 1870348275 QTNZNPIBJUZVPI-UHFFFAOYSA-N 429.564 4.692 30 10 IJEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870791380 RZRSMIBXJREMDQ-UHFFFAOYSA-N 445.560 4.880 30 10 IJEE Cc1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871382369 RMEJGSVICQKMKZ-VIBAAIGISA-N 428.400 4.533 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871443644 BMTDAFURFUHJMS-FMCGGJTJSA-N 449.890 4.660 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871448415 KVXAQYDANSKMGE-VRHSPDTKSA-N 446.459 4.569 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 1871455838 YEXJDXMLHMRQPD-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 1871949700 UUQZOQLUMBGLKC-HNNXBMFYSA-N 433.382 4.649 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871965700 FQBNLEXEZNWJNG-JOCHJYFZSA-N 446.588 4.981 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872236060 SXDLZWXJLQENFV-FQEVSTJZSA-N 446.981 4.958 30 10 IJEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2cccc(Br)c2)cs1 1872762956 AVBGFOVATQYTKC-HNNXBMFYSA-N 443.322 4.836 30 10 IJEE CCCCCCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2c(C)cc(C)cc2C)C1=O 1873123749 PALLQLOJXPJGGX-UHFFFAOYSA-N 439.644 4.736 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(N(CCC)CCCC)ncnc21 1873659448 RRSZPHYHHUYNSX-UHFFFAOYSA-N 434.588 4.952 30 10 IJEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccccn1 1874344696 BAOLYAMTXULIGK-YZSQISJMSA-N 429.549 4.778 30 10 IJEE CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cccc(Br)c1 1874349989 OPXPIZNMLWETBQ-FYJGNVAPSA-N 431.359 4.634 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874352115 RWJDSGABTRBLTB-LPYMAVHISA-N 443.916 4.599 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccnc1 1874393562 QJBUHZWRFFOESF-SCELWYEFSA-N 444.520 4.908 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2O)c1 1874426756 YYZKAJHFVSFYCC-MFKUBSTISA-N 443.532 4.572 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccs1)c1ccccc1 1874430834 ZTGWEJVVMBKEFC-HIQXPHMNSA-N 447.589 4.858 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1cccc2ccccc12)NC1CCCCC1 1874521369 PFDOOJQRDQGFJV-MFKUBSTISA-N 433.581 4.732 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1ccc(C)cc1 1874524324 IORJCAOGLJATBR-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OCC(N)=O)c(OC)c2)cc1 1874624457 DYXVPDOESAOURF-RIYZIHGNSA-N 425.525 4.805 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccccn1 1875110951 LKPKFWLRGDAMBR-VZUCSPMQSA-N 438.277 4.968 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)c1cnccn1 1875186101 DLXLWNJQXDCVDW-QPJJXVBHSA-N 438.867 4.653 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C(C)C 1875195152 QNPRBAHYIPXFBA-DHZHZOJOSA-N 428.481 4.569 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2O1 1922086282 OVUABJVPSRLOEY-ZEQRLZLVSA-N 438.568 4.940 30 10 IJEE N#Cc1ccc([C@H]2C[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)o1 1952601679 PIOICGCKIVSOBE-QMHKHESXSA-N 442.471 4.938 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(CCOC)CCCN1C(=O)OC(C)(C)C 2023624753 PFMUCYMOCDHCSL-DHLKQENFSA-N 432.605 4.544 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N(CCCC)C[C@@H]2CCCN3CCCC[C@H]23)c1C 2068810006 NPEFVXKCAXKTLP-UKILVPOCSA-N 428.665 4.902 30 10 IJEE N#Cc1ccc(CNc2cc(Br)c(Br)c(Br)c2)nc1 2125920815 SZOZWCBMMGOKLZ-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(OCCNc2cc(Br)cnc2C#N)c1 2167617316 QKLBLDKJPAUPSR-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE C=C([C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221680936 JDYNVDDRJVYRDI-IRXDYDNUSA-N 427.459 4.646 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2235734542 XLWUDVASBUURAC-HNJRGHQBSA-N 433.390 4.567 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC1CCC(NC(=O)OC(C)(C)C)CC1 2235748291 YDFUGMVNACZKNB-KVZIAJEVSA-N 435.406 4.862 30 10 IJEE C=C(c1ccccc1)[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237396024 YNOUCZGHVUJACG-WOJBJXKFSA-N 432.358 4.959 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 2296132665 BVHHMHSSOLMHJK-IQGLISFBSA-N 439.511 4.940 30 10 IJEE CCCOc1cccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 2296132960 RMMWGMZWMUHDJD-QHCPKHFHSA-N 446.478 4.631 30 10 IJEE CC(C)(C)OC(=O)NCC1(C[C@H](N)C#Cc2ccc(Br)cc2)CCCCC1 2296309540 WYIURYUNXQTIQP-LJQANCHMSA-N 435.406 4.993 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Br)cc2)cc1 2296362872 GQWYFYDUNGREQR-FQEVSTJZSA-N 449.304 4.779 30 10 IJEE CCCCOc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2296875788 GCZBWONAEVAIJV-UHFFFAOYSA-N 442.581 4.849 30 10 IJEE C[C@H](C#CC(=O)Nc1cc(Cl)c(Br)cc1Cl)NC(=O)OC(C)(C)C 2302425873 KWFVOBMQQNJGMC-SECBINFHSA-N 436.133 4.611 30 10 IJEE Cc1nnc(N=C2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)s1 2314547706 KEIVXJFEGFKVCH-UHFFFAOYSA-N 429.527 4.691 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1c(Cl)cccc1Cl 2321094588 NFKBQFKAHZQBHI-UHFFFAOYSA-N 438.315 4.645 30 10 IJEE CC(C)[C@@H]1C[C@@](O)(C#Cc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321362880 WBEAOMQUJHJXML-GMAHTHKFSA-N 442.353 4.599 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(CCc2nc4ccccc4[nH]2)CO3)C1=O 2322171084 NWEWLWYUUMSMPI-UHFFFAOYSA-N 443.528 4.944 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc(OC)c(OC)c3)c2C)C1=O 2322748333 YKIBXDPGNMRPMQ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2322801153 OVPNBQGUDBPWTG-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCc1ccc(C=C2Oc3cc(OC(=O)COc4ccccc4OC)ccc3C2=O)cc1 2323118089 KGQGDTJQNKUFNL-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE COc1cc(C=NNc2nc(O)cc(C(C)C)n2)ccc1OCc1cccc(Cl)c1 2323258899 BTWPMFFRWPOVLG-UHFFFAOYSA-N 426.904 4.993 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(C=CC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 2323864891 TYCVUNNKSALBKP-UHFFFAOYSA-N 441.480 4.838 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)cc1 2323887671 PVTGRCLUBLEJMA-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323890191 RXTQRZUJIHLRAE-VWLOTQADSA-N 432.605 4.869 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324140729 KFBPOPZVHRXDMO-SFHVURJKSA-N 427.928 4.707 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)cc1O 2326127331 KLNVAFUMTRFQLF-UHFFFAOYSA-N 432.933 4.533 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(OCC)c1OC 2326251945 JGTDHFVHPRZZRA-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2cc(F)ccc2F)nnc1SCC=C 2327476157 OJXCHDQJAKMWAK-UHFFFAOYSA-N 442.491 4.860 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(OCC)cc1 2328514721 KLSFPHRDDBGYJE-UHFFFAOYSA-N 425.514 4.560 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(OCC)c(OC)c1 2329351797 DCKMOENWVPVOMF-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(O)c(O)c2)cc1 2329700853 JGCQKTDQXQJQBR-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(OC)c1OCC 2329761433 QKQCIFAOFWUEGT-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2330540034 BYWTYBSQELGWCN-JOCHJYFZSA-N 443.374 4.935 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccncc2)c(C)c1 2330616539 MWUGBCADCVVUQX-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccc(F)cc1 2330645757 VDIUBYBKZSMXMB-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccco1 2330665074 IXAIAZPNJOLATL-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE Cc1cccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2331183427 KBSFKVZHELJFHB-UHFFFAOYSA-N 435.465 4.635 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccccc2F)o1 2331451241 GJUZTAKDWKXEJT-UHFFFAOYSA-N 430.505 4.560 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)cc1 2331734153 OIPYPPNXRMADHI-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(Nc2cc(Br)cc(F)c2C#N)C1 2336516063 GZBSNIJCLQTZTA-MRXNPFEDSA-N 434.256 4.516 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339598305 AQKAVCDKTUBYCK-RTBURBONSA-N 444.381 4.941 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2360195724 BKAZWINHRGVSIU-SLFFLAALSA-N 435.406 4.862 30 10 IJEE C=CCCC1([C@@H](NC)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2364624902 CJSHZGYLTPPVBW-SFHVURJKSA-N 439.394 4.922 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1OC)N2 14546114 SSHBKEXWFGRVLJ-ZYLNGJIFSA-N 436.577 4.884 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)cc2C1=O 14604038 KLTRIRUQVREEOP-UHFFFAOYSA-N 439.496 4.998 30 10 IJEE CC(=O)Nc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 32984272 KVKFLBAFJHXNNC-UHFFFAOYSA-N 446.528 4.912 30 10 IJEE CC(C)NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccc(Br)cc3)C1)C2(C)C 38288367 XNQJDMPUEXOWQI-LCGWOLBCSA-N 435.362 4.703 30 10 IJEE Cc1c(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(O)n(Cc2ccccc2)c(=O)c1C#N 40523083 LCTGESMIHWUIFF-YJBOKZPZSA-N 431.319 4.556 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 63390864 ZHXCDYORWJDOEH-UHFFFAOYSA-N 448.479 4.798 30 10 IJEE C/C=C\C(=O)OCC(=O)Nc1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N 96838952 WCELNMWDCKLLLR-PLNGDYQASA-N 446.459 4.560 30 10 IJEE COc1cccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1 102512727 WSOXTTRKSXBLPB-LAFOYAEKSA-N 438.480 4.534 30 10 IJEE COc1ccccc1/C=C/C=C1/Oc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2C1=O 103023925 XFMUPZCGYNMXLK-OMWDWZJHSA-N 448.496 4.944 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@@H]3c3ccccc3)sc2c1 103229682 WJKBRXZPOGJMOR-HQMFNGAOSA-N 448.525 4.993 30 10 IJEE CCCN1C(=S)N[C@@H](c2cc(Cl)cc(OC)c2O)C(C(=O)c2ccccc2)=C1C 169928688 TXXASWPRPOWKMU-IBGZPJMESA-N 430.957 4.852 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)c1 170047497 OJFRSFQMKKERRA-QFIPXVFZSA-N 444.443 4.776 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1OC 170091880 JLEMTWDVIXBNBS-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)cc1 170144688 NAEOLHYWGXBQFM-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccn2)cc1 170175161 FCQREIYJUMYLEF-HSZRJFAPSA-N 444.487 4.667 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1 170237112 FSXFIENUPICYAQ-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170244868 HNNPZLXDBWGDPN-QFIPXVFZSA-N 441.499 4.573 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 170256438 CPBMCRKGJFCPME-NRFANRHFSA-N 431.448 4.597 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2C)cc1Cl 170270498 VSJYSNXKDSGLGW-NRFANRHFSA-N 443.927 4.660 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2ccco2)c1C 170285965 RMZVFYUWSLJTMQ-QHCPKHFHSA-N 444.487 4.508 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(C)o2)cc1 170300663 QOQSGEWULQUURT-QHCPKHFHSA-N 447.487 4.951 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1sccc1C 170313011 ZFRAEMLYUAXTJY-LJQANCHMSA-N 427.566 4.887 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1sccc1C 170316836 XVHRSNKWXMDFRH-HXUWFJFHSA-N 448.544 4.855 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCN(C)C 170318091 FCMGCARYOVEQPA-NRFANRHFSA-N 434.561 4.740 30 10 IJEE COc1ccccc1NN=C1C(=O)N(c2nc(-c3ccc(Cl)cc3)cs2)N=C1C 252602726 FJXQZHPUHWELTO-UHFFFAOYSA-N 425.901 4.663 30 10 IJEE N#Cc1ccc(Nc2cc(Br)ccc2I)c(F)c1F 311789234 ZTFATXPUMLJCCY-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC1(C)OB(CCC[C@@H](N)c2c(Br)ccc(Br)c2O)OC1(C)C 396439600 CWYDHZHSEIMLTI-GFCCVEGCSA-N 448.992 4.789 30 10 IJEE CC(C)[C@@]1(C)CSC(=Nc2cc(Br)ccc2I)N1 398506229 KDUVDTUMGKKZND-CYBMUJFWSA-N 439.160 4.792 30 10 IJEE C=CCC[C@H](NC(=O)N1C[C@@H](CC)O[C@@]2(CCOC2)C1)c1ccc(C(F)(F)F)cc1 474565054 XLRXSXQIUWBFKY-DYXWJJEUSA-N 426.479 4.692 30 10 IJEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 506959345 AEFMYCUTGSAVSQ-ZDUSSCGKSA-N 444.900 4.567 30 10 IJEE COc1cc(C(=O)N2CCC(C)(C#N)CC2)ccc1OCc1ccc(Br)s1 507836024 DGSYAJSJVSJLFI-UHFFFAOYSA-N 449.370 4.864 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 508920674 VLPAHOTYZAZFBG-HXOBKFHXSA-N 429.499 4.785 30 10 IJEE COC(=O)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526522298 QVAKQNCORPDCEX-JOCHJYFZSA-N 428.419 4.541 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(SCc2ccco2)C1=O 526666605 LMPNOBBRZJPIOF-UHFFFAOYSA-N 445.500 4.680 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@](C)(O)Cc1ccc(OC)c(OC)c1 576745714 WYSPQKIQKHGLOP-RUZDIDTESA-N 426.557 4.671 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 580630200 MTQSODFFEYFKIV-UHFFFAOYSA-N 441.988 4.635 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c(F)c1 609228918 LBRXUHHUIGCCPR-UHFFFAOYSA-N 426.245 4.577 30 10 IJEE N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccc1Br 610158190 XNJZJIFBTYDRBQ-DZKIICNBSA-N 439.231 4.832 30 10 IJEE Cn1cc(CNC2CCC(Oc3ncccc3C#N)CC2)c(-c2cc3ccccc3o2)n1 614993342 HWNLRHDDIJLLLM-UHFFFAOYSA-N 427.508 4.580 30 10 IJEE CCCCCCCCCCCCCCC/C=C/C(=O)NCC[N@+](C)(CCO)[C@@H](C)CO 642772005 HTGPYUKKIPCACT-RHLBCSIOSA-O 441.721 4.960 30 10 IJEE COc1cc([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)cc(Br)c1O 698825281 OGOJKUKXJGBGOW-NSHDSACASA-N 439.228 4.527 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CCC(Cc3ccccc3OC)CC2)c1=S 726592157 VEUSMUCYMHAZKZ-UHFFFAOYSA-N 435.597 4.583 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccccc1F 733196716 GAIUNTYXFVJCHP-GOSISDBHSA-N 447.894 4.602 30 10 IJEE Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCc1cc(Cl)ccc1OCC#N 735338848 BJBHNGXWQAMEMQ-UHFFFAOYSA-N 448.910 4.731 30 10 IJEE CC1(C#N)CCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1 752772705 TVIHCDUPVNERSM-UHFFFAOYSA-N 440.569 4.847 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(CC(F)F)[C@H](CC)C2)c1=S 765714684 HISWWISBOCKUBG-QGZVFWFLSA-N 441.979 4.539 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@@H](c3ccccn3)C2)c1=S 799158367 JVJMPBUHYVPQNE-QGZVFWFLSA-N 441.988 4.674 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 812180315 HQKJBURDAZIDBT-KRWDZBQOSA-N 435.528 4.885 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1)c1ccc(C)cc1 1084366003 BKQVXWLOPQGJGE-UHFFFAOYSA-N 448.474 4.699 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)c(OC)c1 1124199033 OQBUYIVRUMBXLO-UHFFFAOYSA-N 429.538 4.558 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(SC)n1)c1ccc2c(c1)OCO2 1124212186 IPZTUXBTMMEWLI-UHFFFAOYSA-N 434.517 4.944 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Oc1ccc2c(c1)c(C(=O)OC)c(C)n2C1CC1 1124618687 URNXOERWHCPOBR-UHFFFAOYSA-N 435.476 4.864 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1126702533 OSCVMUGITHIGTP-VWLOTQADSA-N 444.572 4.604 30 10 IJEE C#C[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1129609299 RNUSFIXERADDJL-GOSISDBHSA-N 429.701 4.791 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(c2ccccc2C#N)C2CCC2)nnc1-c1ccco1 1131150067 QRZGBEIJWXHLHD-UHFFFAOYSA-N 433.537 4.664 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)C[C@H](C)c3ccccc3C(F)(F)F)c2C#N)C1 1131405491 GPEBDAPZSOOROQ-LBPRGKRZSA-N 435.471 4.675 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)cc1 1131935256 CDTDFXUMYGCDLU-INIZCTEOSA-N 444.347 4.991 30 10 IJEE Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc(Br)cc3C#N)cc12 1134940309 AJYHCHLWBZWFON-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)CCCC1(C)C 1139512156 YUZRITZUVLJOFO-CGXNFDGLSA-N 434.621 4.774 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccccc3C)c2CCC)cc(OC)c1OC 1142605049 WUYKRKAHDWIYRQ-UHFFFAOYSA-N 433.552 4.809 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 1153523349 GDWZVVLOXYWCNG-KRWDZBQOSA-N 429.314 4.607 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(Br)cc1 1159633906 DQNCGMOSAKSBPN-GOSISDBHSA-N 438.325 4.724 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2I)cc1 1205501316 QACWSSYCFWLWIZ-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(Br)ccc1Cl)C(C)C 1211223116 QOQSDQCACMVUGD-GOSISDBHSA-N 428.802 4.600 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1226661184 RCBDKWIHUGBQGF-AQNXPRMDSA-N 435.515 4.765 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1 1264609465 SSUJWWVXBKCBTQ-UHFFFAOYSA-N 430.595 4.537 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCCN2Cc2cccc(C)c2)cc1 1264800858 IAKYFHCZXURUDL-RUZDIDTESA-N 431.580 4.802 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(Oc2cnccn2)c1 1276765996 GQFAUJGXDDBHQI-OAHLLOKOSA-N 426.398 4.842 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@@H]1C 1286283494 XQIJANIZIBTSIO-MSOLQXFVSA-N 437.588 4.755 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1286347716 QALJVYGMTUBMLG-MOPGFXCFSA-N 449.368 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCc1nc(C(C)(C)C)cs1 1286432628 RFNGTAKTGFDXMG-UHFFFAOYSA-N 445.636 4.523 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1286499002 HHIWJBHHGBJROM-WOJBJXKFSA-N 426.630 4.971 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccc(C)s1 1286500788 YTQYZKVBCDKISE-UHFFFAOYSA-N 448.621 4.708 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1286539601 ANVNURFRPAGANI-OAHLLOKOSA-N 430.325 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1cc(COC(C)(C)C)on1 1286570992 KPQDYRKXZFYUGU-UHFFFAOYSA-N 427.524 4.838 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccnc(N2CCCCC2)c1 1286578905 KCFLJDUTAJQLGQ-UHFFFAOYSA-N 436.629 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCCSc1ccccc1 1286579198 NDYXSEVELHPMFI-UHFFFAOYSA-N 439.585 4.591 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1286593228 GAUWWSYMKGBDCS-SFHVURJKSA-N 425.577 4.987 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1286632479 ATYXDLIVBBYVCJ-OCCSQVGLSA-N 425.758 4.607 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1286687047 MGKSZRBLXQTJLB-IBGZPJMESA-N 445.007 4.670 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(C)C)CC1 1286694768 XWLYPKSANWFROA-UHFFFAOYSA-N 435.572 4.614 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1cccs1 1286714861 USYBKCPEGBXAOW-FDDCHVKYSA-N 426.586 4.626 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC1(N(C)C)CCC1 1286743680 OUJVLNAMNHDLKA-UHFFFAOYSA-N 436.991 4.670 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@@H](C)C1 1286748606 XKZRGLPHFJXPOS-UXHICEINSA-N 436.579 4.725 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1286763357 IBMFWYCWIXORJO-UPVQGACJSA-N 443.551 4.626 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C/C=C\CC 1286763423 IWTYSQOJCHASHK-WAYWQWQTSA-N 430.350 4.830 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccncc1Cl 1286764941 GQVSPDHASQJRLR-UHFFFAOYSA-N 448.958 4.537 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](c2ccco2)C1 1286835303 UEWMZGPSVZKAAL-FQEVSTJZSA-N 438.597 4.980 30 10 IJEE C=CC[C@@]1(C(=O)NCc2coc(-c3ccc(C)cc3)n2)CCCN1C(=O)OC(C)(C)C 1288695043 RYDDNSLVIOGQMH-DEOSSOPVSA-N 425.529 4.612 30 10 IJEE COc1ncc(NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1C#N 1289070996 FXZAYIKPJXVIMY-UHFFFAOYSA-N 431.839 4.585 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@@H](C)C2)cn1 1294952114 CNQWHEPUYKCOFI-OALUTQOASA-N 430.556 4.531 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 1295551035 CRCLACHCWJMSBU-FCHUYYIVSA-N 429.605 4.672 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(-c4cncc(F)c4)ccc3C)n[nH]2)c1C 1296845348 XLZJVVZUIQUKNZ-UHFFFAOYSA-N 430.487 4.838 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(NCC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1297035206 OLETUIINNYZNNL-FQEVSTJZSA-N 427.467 4.945 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1300315140 RFKOIUAFCHGVKU-HXUWFJFHSA-N 433.625 4.673 30 10 IJEE C#CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)Cc1cnn(C)c1 1300391862 GZYJXAQDPYEQDR-UHFFFAOYSA-N 434.544 4.596 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)C1CCC1 1300875702 NZKPYJXUJRJKFS-AUSIDOKSSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N1CCCC1 1300907847 SQKSLTHSWCMPKB-QFIPXVFZSA-N 430.556 4.649 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1300944287 HYKGWGPCFSYWFV-QGZVFWFLSA-N 429.996 4.552 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1300969805 DXJGIOCBDNVPGX-RSPOEFSDSA-N 430.618 4.801 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1301044106 CHXALQLKDNMVSL-UHFFFAOYSA-N 436.293 4.511 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(OC)nc2)CC1 1301114412 SDCWTXUPYHWNHR-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N(C)CC1COC(C)(C)OC1 1301153739 BLVVHQIEQRVPFT-UHFFFAOYSA-N 426.605 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(N(CCNC(C)=O)Cc2ccc(C)s2)nnc1C(C)(C)C 1301158582 JHCDPJJKKYWTKU-UHFFFAOYSA-N 431.650 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 1301160492 SXQJJDSARUJHME-FQEVSTJZSA-N 437.588 4.620 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CC)C1)c1ccccc1 1301165035 YWGKXIGNTRKMEV-SFTDATJTSA-N 437.975 4.969 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1301173552 HVROYRFIQXOXHE-PZJWPPBQSA-N 442.007 4.987 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1301208472 XRQCHWHOKQWIHB-NRFANRHFSA-N 449.643 4.949 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301212022 RFAFBNOCECPAOI-GOSISDBHSA-N 443.567 4.886 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1301258867 CQZKSKFUGFHDKE-KNQAVFIVSA-N 428.552 4.748 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1301259110 DOIRZWHELXZBPL-RTBURBONSA-N 430.543 4.756 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)c1nccs1)C1CC1 1301317565 XVYFLVJKUQLGRG-CQSZACIVSA-N 431.512 4.962 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1301402014 JLRRJXUUPFAHKU-IBGZPJMESA-N 443.592 4.629 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CCc2nccs2)cc1 1302988950 FJHXCUVAKNUZLW-UHFFFAOYSA-N 446.502 4.685 30 10 IJEE CCc1nnc(Sc2nnc(-c3cc4c(s3)CC[C@@H](CC)C4)n2C)c(C#N)c1CC 1306920397 FVVSOKXYGPVESG-CYBMUJFWSA-N 438.626 4.996 30 10 IJEE COCc1cc(Cl)cc(S(=O)(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 1309208957 FLESBNMHWIWXEO-UHFFFAOYSA-N 432.954 4.565 30 10 IJEE CSC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1316370854 DBLCXGUMZIJCRJ-UHFFFAOYSA-N 444.608 4.571 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)n1nnc(-c2ccccc2)n1 1351170458 FEDYUEWIWQLGNY-HNNXBMFYSA-N 444.882 4.857 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](OC)C1CCCC1)c1ccc2c(c1)OCCO2 1351530933 HKEJXQAQMIXDML-VWLOTQADSA-N 437.536 4.761 30 10 IJEE C=CCc1cc(CNC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 1351766649 TWIXVMSEHVCBAG-OAHLLOKOSA-N 437.458 4.826 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)Cc2ccccc2)c(C(=O)OCC)c1C 1355006964 AFWJEMKSQZVAOR-QGZVFWFLSA-N 429.538 4.783 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cccs1 1359061189 UMIOZEZUUUQJNV-UHFFFAOYSA-N 433.002 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](c1cccs1)N(C)C 1359068255 UEHXSAHZYWHYRP-AUSIDOKSSA-N 440.016 4.955 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1CC 1359129302 YFDAVBPBELRGMA-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1359136595 PAYUBHUPHOWVOZ-MOPGFXCFSA-N 432.659 4.802 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(CC)[C@H](C)C1 1359154885 GDUKICLMBXXCIN-LJQANCHMSA-N 432.012 4.572 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCN2CCC)CC1 1359168328 PODMEVVDENGWRS-NRFANRHFSA-N 444.023 4.931 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359258827 DDYBRFWLPFAFLW-LJQANCHMSA-N 441.620 4.973 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCCC1CCCC1 1359261707 SPBOEBGXSASZCB-UHFFFAOYSA-N 427.618 4.739 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCO[C@@H](C)C1 1359276459 DJDXPNJXHMVWAK-PMACEKPBSA-N 436.556 4.597 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccccc1 1360378726 YYGCZBOMJMTNAU-GMAHTHKFSA-N 427.566 4.718 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1360478277 HLEUJKMQODWFAY-LZNRXBQRSA-N 427.568 4.588 30 10 IJEE C=CCN(C(=O)/C=C\c1ccsc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1435900347 OBNYPBXMBKKZMT-LENZSSGSSA-N 437.483 4.969 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1439305608 FRZBWZDXTOLBAD-AWEZNQCLSA-N 431.330 4.668 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H](Cc3ccccc3)c3ccccn3)o2)cc1 1440180746 GITIWFQNHFXRRV-JOCHJYFZSA-N 437.499 4.882 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(CCc2ccc(OC)cc2)CC1 1440767417 CVKCAAUFDLAWBR-UHFFFAOYSA-N 445.563 4.931 30 10 IJEE C=CC1(CC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1450079187 OICSMDOZOCOPDU-UHFFFAOYSA-N 434.842 4.990 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCN2CCN(c3ccccc3)CC2)c1 1455948847 MDNNIUFJLKOSPX-UHFFFAOYSA-N 437.587 4.804 30 10 IJEE C#CCCCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1457888343 XKOWANFOBFHONY-UHFFFAOYSA-N 426.495 4.819 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCc3cc(Br)ccc3OC)c2c1 1458243663 BQUGWELXUZZEHU-UHFFFAOYSA-N 428.286 4.507 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1458333020 IJSGEZYZKJMADJ-XMMPIXPASA-N 447.526 4.687 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(COc4ccccc4)cc3)CC2=O)cc1Cl 1458394244 FPMISXQLRKLHLB-IBGZPJMESA-N 445.906 4.782 30 10 IJEE C#Cc1cccc(N(C)CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)c1 1459450211 HIGUFJJWHAZERC-UHFFFAOYSA-N 428.557 4.914 30 10 IJEE C[C@H](CC#N)NCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 1460313660 FDKVLJIAMZCFFB-ROPYLXEWSA-N 448.517 4.980 30 10 IJEE C#CCN(Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCOc2ccc(Br)cc21 1473167154 FHUCDLQXRGSEHI-JOCHJYFZSA-N 436.353 4.653 30 10 IJEE C#CCCOc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)cc1 1474205649 WVONMGBCQUJITQ-JWQCQUIFSA-N 434.580 4.972 30 10 IJEE CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1476606718 HJTBOSQMEJEPGO-GOSISDBHSA-N 436.581 4.870 30 10 IJEE CCOC(=O)c1c(NC(=O)NCC2(c3cccs3)CCCCC2)c(C#N)cn1CC 1476760496 HDGNNPVSAVHNHF-UHFFFAOYSA-N 428.558 4.641 30 10 IJEE CCc1ccc([C@H](NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c2cccc(F)c2)cc1 1477334804 AZXXXDZQFTYQSN-VWLOTQADSA-N 429.495 4.822 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1 1478806782 QQWJTXXHHMGDCV-JOCHJYFZSA-N 445.567 4.592 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1503151362 GDARHKSFCJNOLO-PMACEKPBSA-N 443.542 4.895 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)C1 1507790306 DWZOAECSWPZYCL-LLVKDONJSA-N 446.176 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl 1507798124 GAHRISHSRXAROM-IERDGZPVSA-N 441.938 4.750 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1507837161 JRTXOSHGURDBGX-WBVHZDCISA-N 436.398 4.643 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1507859382 UNJOWDOZMDCBLF-OLZOCXBDSA-N 443.798 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1507878379 WBGHWHTZWLWVCJ-LJQANCHMSA-N 443.498 4.599 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1507917069 XZRWPEFLLSUSQB-GOSISDBHSA-N 430.618 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1507917539 RRNDGSXRSJBRDU-UHFFFAOYSA-N 437.632 4.868 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C 1507953583 KTXBHOSPPMXYOP-SQNIBIBYSA-N 435.638 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(C)CCCS1 1507973307 ZGRTWXKHRIUBGZ-IBGZPJMESA-N 437.407 4.624 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)COC 1508009223 MWFUCBKXCIBNGE-UHFFFAOYSA-N 440.569 4.601 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N1CCCC1 1517079408 AOVQWTNOQHTXIN-NRFANRHFSA-N 432.572 4.729 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1521933549 XNIUCEZSXIVVJQ-UHFFFAOYSA-N 445.940 4.692 30 10 IJEE C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1 1523261412 BKBISDDWSDIIJN-VLIAUNLRSA-N 434.433 4.982 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1 1523870813 CHEHNXYAQXHQEL-UHFFFAOYSA-N 440.450 4.806 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)c(C)cc1OC)c1ccc(Br)cc1 1525054784 RKJWQMIYEJXJJI-INIZCTEOSA-N 437.131 4.633 30 10 IJEE C=CCCC1(CNC(=O)c2cnn(-c3ccccc3)c2I)CCCC1 1528542262 XURVKKZNOFXOPG-UHFFFAOYSA-N 449.336 4.733 30 10 IJEE CC(C)(CNC(=O)COc1ccc(C#N)c(Br)c1)c1cccc(Cl)c1F 1529978609 IFGNFCCNQXZXNT-UHFFFAOYSA-N 439.712 4.586 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@](C)(O)c1ccc(F)c(Br)c1 1538509398 LYOJMENJFBWFOX-KRWDZBQOSA-N 432.742 4.725 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1539111530 XQECHYQBSUTOPA-GOSISDBHSA-N 426.973 4.960 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1539246701 PRWSCRHULKHNKP-LADGPHEKSA-N 432.612 4.767 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)c(F)c1 1539350100 AGLJBCAEYCUOTC-HNNXBMFYSA-N 426.536 4.917 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1CC(F)(F)C1 1539376786 HBSXUYJRBDNYCM-UHFFFAOYSA-N 436.934 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1539567401 WIPDQYGUPHTXLG-RMUDUWAUSA-N 436.600 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1539632957 VZPJUPHJENDLPB-VIZSFHNOSA-N 426.580 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(C)oc2ccccc12 1539650514 RJGOTYWJWHHSND-VWLOTQADSA-N 438.572 4.824 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1540006607 FIVIZGCTRJAGAP-RCZVLFRGSA-N 444.627 4.719 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1cccnc1)C(C)C 1540051264 BJJYGORIDHNSKJ-GOSISDBHSA-N 443.393 4.503 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1540101222 ACZPDLVDFDAHSK-HNNXBMFYSA-N 439.913 4.638 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CSCCS1 1540135963 DRNIDXMPPHUZRZ-QUCCMNQESA-N 448.633 4.700 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)NC)c1 1540140755 SJOOSEKJYAPDRU-UHFFFAOYSA-N 447.564 4.509 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 1540487426 YGWPPEYAPDAQIM-HZPDHXFCSA-N 435.977 4.996 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1540911603 WROHUEQETRFFOO-LJQANCHMSA-N 430.961 4.689 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 1541125734 AXDWISVPKWVNDV-SFTDATJTSA-N 426.944 4.852 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 1556492659 KKTGRGAXRXZPMD-OAQYLSRUSA-N 434.552 4.583 30 10 IJEE COc1ccccc1[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1559558663 ATJRIBPVVZXODD-IBGZPJMESA-N 446.526 4.542 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCSC[C@@H]3c3cccc(C(F)(F)F)c3)C2=O)cc1 1559761627 CNISEVSZPMISEP-NHCUHLMSSA-N 445.510 4.863 30 10 IJEE C#CCCN(CCOC)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1560023962 SJRRDQSCGANECD-UHFFFAOYSA-N 438.369 4.774 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1564913227 IRKVAKZRXWMZIQ-NRFANRHFSA-N 441.547 4.837 30 10 IJEE C=CCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1568585424 OKGYUDFNNQTHIW-VWLOTQADSA-N 425.532 4.745 30 10 IJEE C#CC1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)CC1 1570659764 YXWATPTXQDAXHM-UHFFFAOYSA-N 431.005 4.796 30 10 IJEE C=C[C@@H](CC(=O)N[C@H](CC(=O)OCC)c1cccc(Br)c1)c1ccccc1 1583273067 QBVHXKDQGUWDFD-OXJNMPFZSA-N 430.342 4.920 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCc2c(Br)cccc21 1584785043 NEZOFMXCOVEMPR-IBGZPJMESA-N 438.325 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CCOC)CCC1 1587579837 KPQFXIOJLCFYLT-ROUUACIJSA-N 426.630 4.796 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CC)CCC1 1587600100 UUNVCQBXTCDJRO-HNNXBMFYSA-N 431.378 4.754 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCCC[C@@H](SC)C1 1587894727 YJABCBDWPRCUQN-GOSISDBHSA-N 430.643 4.714 30 10 IJEE COc1cc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c(F)cc1C#N 1588232189 DUGCMPIJJUFPOG-UHFFFAOYSA-N 432.480 4.898 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cn2ccsc2n1 1589687373 CREFIPJURVJPCS-UHFFFAOYSA-N 436.585 4.634 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCOC2(CCCC2)C1 1593768222 BPTQFCNKLQDCCP-UHFFFAOYSA-N 442.629 4.621 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](OCC2CC2)C1 1593817448 CDFGBHSBKPREBP-SJLPKXTDSA-N 434.943 4.705 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2cccc(C)n2)CC1 1594192293 HFJNLRZPDQSRCN-IBGZPJMESA-N 435.547 4.906 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnc(C)s1 1594498562 XBYMHBLJJXUTLO-FQEVSTJZSA-N 439.585 4.794 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1594766750 BXSQRESFZCUUJJ-RDPSFJRHSA-N 442.629 4.619 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCSCC(F)(F)F 1594885438 GSNOSUHIHHNUTQ-UHFFFAOYSA-N 435.313 4.625 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCSC(F)(F)F 1594913897 QVKLKISBOHZRHO-UHFFFAOYSA-N 439.276 4.722 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C1CC1 1595099858 JZSNVIQNUCNQSL-NRFANRHFSA-N 448.571 4.749 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC(C)(C)CN1CCCC1 1595108904 OCGVJVGEPASNQX-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](CC)Oc2ccccc2F)C1 1595723170 SMEOGMZGCLNZHR-PMACEKPBSA-N 428.552 4.714 30 10 IJEE C=CCC[C@H](NC(=O)/C=C/C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(C(F)(F)F)cc1 1597058225 ODKGIQVWIYPLAM-CVTTXWKISA-N 442.441 4.900 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 1611137725 SFFUWYCGQWQWHR-UHFFFAOYSA-N 427.264 4.884 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Br 1622044378 CGKROAYHDSYLPY-UHFFFAOYSA-N 430.751 4.801 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccccc2Cl)CC1 1623266854 TXMBVKZGLHXMIU-GOSISDBHSA-N 425.356 4.992 30 10 IJEE CCn1c(O)nc2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc21 1626276986 GVFVCKQCMOWMAU-UHFFFAOYSA-N 426.476 4.659 30 10 IJEE C#CCSCCNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1628385656 WZELSDUKXUOADT-QKNQBKEWSA-N 447.666 4.879 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccccc3)c3cccc(F)c3)ccc2c1=O 1629864360 HQONEWQXDBGNLN-JOCHJYFZSA-N 445.519 4.530 30 10 IJEE N#Cc1cc(NC(=O)c2cc(Br)cc3nc(O)[nH]c23)ccc1Oc1ccccc1 1633573745 DXERNYOPXAPZDP-UHFFFAOYSA-N 449.264 4.947 30 10 IJEE CC(C)(C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)c1cccc(Cl)c1F 1634564340 BPFSZSRSDHFKOQ-LJQANCHMSA-N 434.342 4.819 30 10 IJEE C=CCC1(NC(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CCCC1 1635091863 ARHNDCSUHRGMIR-SFHVURJKSA-N 448.405 4.749 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O 1635395599 SKEGZYRRHJGIQV-OKZBNKHCSA-N 426.985 4.553 30 10 IJEE C=CCCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1ccccc1 1636852039 UJRCQRXKQFTORM-HXUWFJFHSA-N 439.499 4.779 30 10 IJEE C=CCCCN(CC)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1636854447 AYINMQCRKFTLLX-QGZVFWFLSA-N 425.367 4.830 30 10 IJEE Cc1nc(-c2ccnc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)c2)n[nH]1 1637403293 FQRHBHTYJGXZCH-UHFFFAOYSA-N 430.855 4.745 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccc(Cl)cc1 1642103440 ZRUJKOSCMHIDRV-OALUTQOASA-N 434.870 4.675 30 10 IJEE C=CCCC[C@@H](NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccccc1 1644332525 IYDQCBFLKMXMGS-HSZRJFAPSA-N 437.609 4.501 30 10 IJEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1ccc(-n2c(C)cnc2O)cc1 1644358774 STIBHBGOAISFCK-UHFFFAOYSA-N 425.448 4.506 30 10 IJEE N#Cc1cccc(CN2CCC(NCc3cc(Cl)ccc3OC[C@H]3CCCO3)CC2)c1 1651276140 CSPRCHPLRFYTKU-XMMPIXPASA-N 439.987 4.524 30 10 IJEE CCNc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc12 1651705338 DWSLQBSXMGMAHY-UHFFFAOYSA-N 437.594 4.994 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)Cc1nnnn1-c1c(C)cccc1C 1652791002 HRMPJAVIICNBKO-UHFFFAOYSA-N 426.499 4.805 30 10 IJEE C=CCC[C@H](NCc1noc(CNC(=O)OC(C)(C)C)n1)c1ccc(C(F)(F)F)cc1 1653041851 QYEPAESUFDCMTP-INIZCTEOSA-N 440.466 4.910 30 10 IJEE COc1cccc(CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC(C)C)c1 1653223155 HOQREOLZSYZTFJ-UHFFFAOYSA-N 425.598 4.994 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1654439425 FPJYTWMCQVRARS-QGZVFWFLSA-N 426.542 4.870 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O 1658625985 BNBGXKJSAJZHJY-OAHLLOKOSA-N 447.404 4.895 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)[C@H]1CCCO1 1659480794 HJDLHLTXAQCJBF-DGCLKSJQSA-N 426.382 4.662 30 10 IJEE CN(C)CCN(Cc1cccc(C(F)(F)F)c1)Cc1cc(C#N)ccc1Br 1659690863 DOILTCNRNYKOAV-UHFFFAOYSA-N 440.307 4.903 30 10 IJEE N#Cc1ccc(Br)c(CN[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 1661410959 BOWFVFOTFIRZKS-SFHVURJKSA-N 436.756 4.867 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)Cc3ccc(Br)cc3)c2)s1 1661666892 DVNWHGKSNKSITQ-UHFFFAOYSA-N 447.379 4.669 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 1664951354 NXNGBPIPCBAZDS-ICSRJNTNSA-N 433.618 4.896 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C)[C@H]1CCCO1 1666426419 FBVKPEPXIWXTEN-UYAOXDASSA-N 445.441 4.568 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@@H](c4cccc(OC(F)(F)F)c4)C3)cc2n1 1675018208 UTBVNZHDGWYQPC-HXUWFJFHSA-N 446.429 4.726 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)[C@@H]1CCCc2ccccc21 1676665456 OOHPBGOTNFNVGP-DHIUTWEWSA-N 434.490 4.510 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1(c2ccccc2)CCOCC1 1678351631 QQPFIOMFIRSABJ-UHFFFAOYSA-N 431.330 4.841 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1679560886 UUHVBMOPBRLYOZ-HOJAQTOUSA-N 437.506 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 1682155625 BLIYHSNFZMHQJV-MJWYBRSISA-N 432.362 4.588 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1689892299 CCUNOFZBUWLYGL-UHFFFAOYSA-N 431.625 4.506 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](c1ccco1)N1CCCC1 1689946002 LZFTUKGBXLKDKH-VXKWHMMOSA-N 447.583 4.534 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690026679 IIHNKLHBOQTHRN-UXHICEINSA-N 444.501 4.840 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(Cl)=C(Cl)C1 1690165891 MTGFBIHVEMSMHP-UHFFFAOYSA-N 444.391 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(CC)CCc1cccs1 1690241564 UIQCAMZCRZTIFA-RXVVDRJESA-N 426.586 4.958 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cnn(CC)c2)CC1 1690398718 FJXPNTCNTFPKAK-HXUWFJFHSA-N 434.588 4.702 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1690467321 SMOLIGDHPJTTMO-UHFFFAOYSA-N 431.625 4.861 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690467371 UYNRIECVYJZCSM-UYAOXDASSA-N 436.522 4.966 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCO1 1690558133 FRJAPUHVJBPLPX-OAQYLSRUSA-N 448.958 4.627 30 10 IJEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1690719545 OUNANGPQOWDIMC-IBGZPJMESA-N 444.645 4.513 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](COCC)C1 1690737576 QFPICUAGPRGNOF-LJQANCHMSA-N 437.613 4.665 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1690753064 YZJWJTITSZQCPC-YPAWHYETSA-N 442.629 4.653 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](CCC)OC 1705477465 OJMWATRJBMHHHE-BJLQDIEVSA-N 432.996 4.961 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1705519068 XICLPOQJHSQLQD-YKSBVNFPSA-N 429.568 4.664 30 10 IJEE C#CCSCCn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCCCO1 1705665029 IICBTDOTFZJIGW-LSTHTHJFSA-N 449.020 4.728 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1705800856 LVPYHTPKPDZIBW-UHFFFAOYSA-N 443.592 4.944 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705801022 QNRPJKNOUBFCNC-MSOLQXFVSA-N 430.980 4.826 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C(C)(C)C)no1)C1CC1 1705851563 KQRWPMWPANTHFN-UHFFFAOYSA-N 445.365 4.524 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CC(F)(F)C1 1705859597 VMRRUPUUDJKNCR-HSZRJFAPSA-N 446.542 4.557 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccsc1)N(C)C 1705871361 HHXSLJHTPYTSOO-GOSISDBHSA-N 428.993 4.536 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C)c(C)s1 1705871425 JNWJMRLXUVGJEG-UHFFFAOYSA-N 429.977 4.907 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(F)F)C1 1705913656 UOJNLVBICLOUBK-ICSRJNTNSA-N 432.515 4.614 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(C)C 1711641802 BPCMOAYINFANQN-JKBKZWBZSA-N 437.588 4.773 30 10 IJEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CC1 1712260881 FZESSSDIWAKCNK-UHFFFAOYSA-N 429.515 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1ccco1)N(CC)CC 1722274828 ALYVUTKORWLGJG-GMAHTHKFSA-N 445.611 4.882 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([C@@H]2CCCO2)CC1 1722328696 XJBZUZKPISOKPL-QPPBQGQZSA-N 436.600 4.844 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCN1CCC[C@@H](C)C1 1722345747 JQOQERBNKDSKOL-HXUWFJFHSA-N 439.673 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1csc(Br)c1 1722493289 XTEJIWRFKHHIGR-RDJZCZTQSA-N 439.423 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCS[C@H](CC)C1 1722503481 LHUWHUNOOYSHEQ-ZDXQCDESSA-N 440.657 4.766 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccsc1 1722503593 WUVSPKIXVUTKAT-PGRDOPGGSA-N 442.560 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1=CCCCC1 1722517358 KCHUJRBGLSZHPX-UHFFFAOYSA-N 435.620 4.745 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CCSCC 1722542954 CCXRFOOZIXCKDO-KRWDZBQOSA-N 436.025 4.868 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](OCC(C)C)C1 1722548988 YGXNSFOQEGXIHQ-OAHLLOKOSA-N 439.785 4.711 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1722579054 HNYYBVHGGYHHBC-YKSBVNFPSA-N 449.599 4.726 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1722619260 WUKDBHQPFUYXMQ-KRWDZBQOSA-N 436.510 4.958 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCc2ccccc21 1722633605 WGLHSHOLAYIFSO-KRWDZBQOSA-N 440.389 4.788 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722633885 KINXWLDRQUADDN-SFTDATJTSA-N 441.620 4.992 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCCCCC2)nc1 1722637289 RONZNBHSHXCYJN-UHFFFAOYSA-N 430.600 4.953 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1722654079 PWEHVWMCRDLTHN-WZONZLPQSA-N 442.579 4.992 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1CC(F)(F)CO1 1722661250 YJCNNXVRKMYRNN-GOSISDBHSA-N 448.514 4.686 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722743258 VNCITXIKOBSDPS-OAQYLSRUSA-N 444.645 4.644 30 10 IJEE CC1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCCC2)CC1 1726630778 BGFZESOOJDJLJA-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1nc2c(s1)CCCC2 1740604909 MYIUPJIWLTZUQO-UHFFFAOYSA-N 433.625 4.890 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1740714481 ZUGOUJWTTXHXNU-GHTZIAJQSA-N 438.622 4.648 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2OCCC2(C)C)CC1 1740819050 BOSPSSXAVSCHCO-SFHVURJKSA-N 449.368 4.818 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1740828030 UEMHEAGFKQMFRM-UHFFFAOYSA-N 447.583 4.943 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)C)CC1 1740843383 GBABDGMQAXHFLN-LJQANCHMSA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740843703 NXRBDEYLUDIYLD-KRWDZBQOSA-N 445.558 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1740849356 GWBFHPHYBTYBNA-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H](OC)C(F)(F)F 1740893943 CQJUODXMQURHDC-GUYCJALGSA-N 428.524 4.721 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(C)c1ccccc1)C1CC1 1740913131 GCTVBPLECPBTNL-UEVCKROQSA-N 437.632 4.876 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(Br)c1 1740930588 MIDKFSJYKJHYBK-IBGZPJMESA-N 447.377 4.518 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC[C@H](C)C2)C1 1740977059 CGGYBGPBVFMCAF-GMAHTHKFSA-N 437.632 4.547 30 10 IJEE CC(C)c1csc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@](F)(C#N)C2)n1 1741323076 CYDGPVIXUBTXCB-HXUWFJFHSA-N 448.930 4.808 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC(OC(C)C)CC1 1748708791 GQQHMONVKCJXLF-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCc1nccs1 1748937359 IICUKSXPKVAOBT-UHFFFAOYSA-N 437.613 4.703 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(OCC)CCCC1 1749079161 ZTHNRPRCFFDSJL-RUZDIDTESA-N 436.600 4.815 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](CC(C)C)C1 1749103584 CHUUBKBIPMNHBJ-OAHLLOKOSA-N 439.348 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)[C@@H](C)CC 1749150304 TWCCEUFWQBMFAH-HRAATJIYSA-N 435.410 4.907 30 10 IJEE C=C(Cn1c(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1749246609 GREQQDRDXGILIU-FQEVSTJZSA-N 437.632 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 1749359212 VUANTSMJGLTWTG-UHFFFAOYSA-N 434.632 4.817 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1749403562 DZOJVEUHAJBVJI-UHFFFAOYSA-N 441.645 4.827 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)c1ccccc1 1749426496 CZLIHOASRQXBCM-OAQYLSRUSA-N 445.615 4.658 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749434130 ITWLQMNWCXNRSU-NRFANRHFSA-N 437.613 4.762 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1OC)C1CC1 1749510465 HKQGJDGMMABVHM-UHFFFAOYSA-N 442.361 4.556 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749528408 OIMHPDCVLGLVNT-RXFWQSSRSA-N 437.632 4.867 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1749563448 HSVIFZDXIJPRAR-IBGZPJMESA-N 427.499 4.606 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCC(C)(C)C1 1749578512 AGIZJSRUEJOROX-UHFFFAOYSA-N 432.616 4.582 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H](C)CC)n1CC1CCN(C(=O)OC)CC1 1749584180 ITDXBQMJKXBAGB-HXUWFJFHSA-N 439.604 4.505 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H]1C(C)C 1749584945 SSLGXTQQCKDBRR-UPVQGACJSA-N 433.600 4.580 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCc1cc2ccccc2s1 1749599941 ONWTWZKHUPTBAY-FQEVSTJZSA-N 426.586 4.616 30 10 IJEE CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1nnc(C(C)(C)C)s1 1750615903 HONXCPFHMNFJQN-UHFFFAOYSA-N 435.601 4.639 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1Cc1cc(-c2ccccc2)no1 1750791983 GVIDDRKVTNRFFS-UHFFFAOYSA-N 443.555 4.753 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760145141 ITPLBDJFEJWNKR-PKTZIBPZSA-N 446.599 4.795 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1760163793 BUBDKXKGVTWYJV-LMDPOFIKSA-N 428.552 4.610 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1C(F)(F)C12CCC2 1760167131 DDLBEONNTNQORI-INIZCTEOSA-N 435.316 4.521 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCCC1(F)F 1760167913 HSAXRUWUVLIBKU-GOSISDBHSA-N 432.515 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCCCO 1760288424 BWNYVKMNPKBOND-FDDCHVKYSA-N 430.980 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1760416162 VSSTWWFGTLJGKC-UHFFFAOYSA-N 441.595 4.716 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1760430081 YPYVBKMHECKMFS-UHFFFAOYSA-N 446.599 4.595 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccsc1 1760481530 BGOAQTDJFQWRNT-DEOSSOPVSA-N 431.565 4.502 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1Cc1nccc(C(F)F)n1 1760497317 AFYFARSZKCLHIN-UHFFFAOYSA-N 426.515 4.587 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1Cc1ccc(C)cc1F 1760501451 QEWGKNZYTVFZGM-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760569409 NSDKTLRCLBAZGR-LJQANCHMSA-N 442.629 4.801 30 10 IJEE C[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 1763207037 BBTBXCGWQGUHIP-OXJNMPFZSA-N 447.505 4.658 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1765143482 DTWZJELVCCQKAL-IBVKSMDESA-N 434.632 4.954 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2C)C1(C)C 1767665863 FOPOVLUDSHDSBY-RTWAWAEBSA-N 435.597 4.875 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNc1ncc(Cl)cc1Cl)C1CCC1 1768542783 AEWDBVIUEDSBOA-UHFFFAOYSA-N 442.354 4.619 30 10 IJEE CCCCCCCCCOc1cccnc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1858750027 HYUTYVFOTHWBND-UHFFFAOYSA-N 447.601 4.714 30 10 IJEE CCc1cccc(CC)c1NC(=O)COc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860132270 BQXRCQGKLZLQRJ-UHFFFAOYSA-N 427.504 4.953 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862470849 XIFUAJFSWUVVIH-LJQANCHMSA-N 444.325 4.692 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(F)(F)F)cc1 1862494385 AAFZRWDRRQDRBM-HXUWFJFHSA-N 447.453 4.937 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1Br 1862510067 VSWHTRFFDDYPQL-SFHVURJKSA-N 432.289 4.885 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591567 JMNBYSBSNCEJPH-HXUWFJFHSA-N 439.920 4.928 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(O)c1 1862652447 ITZYADYBJYXWLZ-IQMFZBJNSA-N 431.488 4.931 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc1OC 1862680016 RXWPZTAQOINGFV-JOCHJYFZSA-N 441.499 4.857 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOC)cc1 1862680900 MXLADNAVCJJMJJ-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(Cl)cc2)C1=O 1862805052 PFCGFCWKQDPDBI-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1863173967 YTCXOYLQMFUYBN-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccc(C#N)cc1 1866658642 YBZBZIYQMOVHGR-OAQYLSRUSA-N 448.498 4.517 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N 1866945990 JWKSZMIDAWRLDY-YWZLYKJASA-N 442.357 4.738 30 10 IJEE CCCOc1cn(CCCOC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181903 ZMLBFFIIGPTOBB-UHFFFAOYSA-N 443.613 4.936 30 10 IJEE C#CCOc1cn(Cc2ccncc2)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870560199 LTKKRQRVZLOHRR-UHFFFAOYSA-N 449.554 4.506 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN(C)C 1870730915 IWHXDYALGLTUDD-UHFFFAOYSA-N 427.589 4.596 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccccc4OC)c3C)C2=O)cc1 1871370448 MENIFLWLBOHFGW-UCQKPKSFSA-N 446.455 4.613 30 10 IJEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccco1)O2 1871390708 KGXUIXOJCJXZPV-MTJSOVHGSA-N 432.428 4.985 30 10 IJEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626663 QTGHSIVIHNXJJX-UHFFFAOYSA-N 438.624 4.734 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1)S(=O)(=O)CCCC 1872105922 GXYYDTOSQSUMDJ-HSZRJFAPSA-N 439.581 4.856 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(N3CCOCC3)ncnc21 1873645591 YDNPYHGAZYABFG-UHFFFAOYSA-N 447.583 4.953 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(N3CCCCC3)ncnc21 1873669434 WTVYOQOYMFHEKG-UHFFFAOYSA-N 432.572 4.706 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3c(C)cccc3C)nnc2SCC)cc1OC 1874299697 OJKKQKXDOADMTJ-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874317816 MEXXTDSJMHBRJS-CJLVFECKSA-N 425.514 4.582 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1O 1874379256 JJQDOYAVXQIEQS-VULFUBBASA-N 448.523 4.902 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2[C@@H]2CCCO2)cc1 1874442976 PKEFAJWSVZSLIR-XAOCGEIJSA-N 449.580 4.613 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(F)cc1 1874456268 JORLWVFRVLBJDJ-BUVRLJJBSA-N 431.581 4.698 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OC)nnc2C2CCCC2)cc1 1874456702 GIHZHUQPWLVAJY-HZHRSRAPSA-N 430.574 4.652 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(O)c1 1874481589 DIINUQNNPIVEEB-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1c(F)cccc1Cl)Nc1ccccc1 1874493297 FKDAOOGZHPMKMD-WYMPLXKRSA-N 443.935 4.951 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874510239 ISYPINAGQDSYJX-FSJBWODESA-N 446.960 4.781 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1/N=C/c1c(F)cccc1Cl 1874532596 QUROAYSNEQMORM-AUEPDCJTSA-N 431.924 4.609 30 10 IJEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874533525 NKKZGMDGKHXXSC-LSHDLFTRSA-N 435.336 4.839 30 10 IJEE COC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC 1874601387 IZVYVJYXEBPHRB-NTEUORMPSA-N 432.472 4.819 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1 1874619039 GVUKRXCVBQWRJY-UKTHLTGXSA-N 425.525 4.627 30 10 IJEE C#CCN(C[C@@H](NCCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 1894938454 KVTDERQDYJCKJU-QGZVFWFLSA-N 431.321 4.638 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1c(Br)cccc1Br 1916313955 ATXKRKUQZMHCFF-UHFFFAOYSA-N 437.957 4.748 30 10 IJEE O=C(N[C@@H](CCCC1(CS)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1951651869 LCFDUJCXJOPDDQ-NRFANRHFSA-N 425.550 4.859 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(I)c([C@H](C#N)C(F)(F)F)c1 1952395104 BRTQUCBXDHILMA-JTQLQIEISA-N 426.176 4.808 30 10 IJEE C=C([C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 1976563951 DPFPNECCQAXDGB-NQIIRXRSSA-N 428.495 4.537 30 10 IJEE CC[C@H](c1ccc(C)c(C)c1)n1nc(C(F)F)c(/C=N/O)c1I 2079025509 NPXMQRRZNRJVJR-GNZXAGPDSA-N 433.240 4.850 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C2CCC2)c1N 2079969371 BTEMIOIWSBVEJC-ZDUSSCGKSA-N 439.331 4.818 30 10 IJEE CCOc1ccc([C@H](CC)n2nc(C(F)F)c(C#N)c2I)cc1 2080117318 CKCXQRZGPFLALZ-ZDUSSCGKSA-N 431.224 4.695 30 10 IJEE N#Cc1c(C2CCOCC2)nn(Cc2cc(F)ccc2C(F)(F)F)c1Br 2080338262 DURHXVDCMMRROX-UHFFFAOYSA-N 432.215 4.617 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1nc(CCC)[nH]c1Br 2087651903 FINXLNJNFMMSSL-DZGCQCFKSA-N 429.403 4.635 30 10 IJEE C=CCN(CC[C@@H](NCC)c1c(Br)cnn1C(C)C)C(=O)OC(C)(C)C 2099293855 YHSRTEBOVAAJSI-MRXNPFEDSA-N 429.403 4.690 30 10 IJEE CN(CCN(CC(F)(F)F)c1ccc(Br)cc1C#N)C(=O)OC(C)(C)C 2118202376 YAHLFHSTFURAJN-UHFFFAOYSA-N 436.272 4.556 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2124450063 VYRUQENATKWVGX-DLBZAZTESA-N 429.399 4.773 30 10 IJEE C=CCN(C[C@@H](NCC)c1ccc(Br)c2nsnc12)C(=O)OC(C)(C)C 2137383480 NXFMGEKBIYEMKH-CQSZACIVSA-N 441.395 4.528 30 10 IJEE C=CCCC[C@@H](NN)c1sc(Br)c(Br)c1Br 2212190566 YYAJXKAYCSPWHZ-ZCFIWIBFSA-N 433.007 4.896 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2215767944 UXOXBUQZXKYMQG-FQEVSTJZSA-N 447.498 4.859 30 10 IJEE C=CCN(CCOc1ncc(C(F)(F)F)cc1Br)C(=O)OC(C)(C)C 2224053559 IQIBVNPYBPETGV-UHFFFAOYSA-N 425.245 4.665 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1C(C)C 2224257460 GRKHJWXOEJEUED-PBHICJAKSA-N 429.403 4.737 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2255535353 UFROKBGLFVMHSW-UHFFFAOYSA-N 430.354 4.666 30 10 IJEE C=CCCC1([C@H](O)Cc2cc(Br)ccc2F)CN(C(=O)OC(C)(C)C)C1 2266317935 MKHYEEAWLAKWPK-QGZVFWFLSA-N 428.342 4.695 30 10 IJEE C[C@@H](CC(=O)NCC=CB1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2268645947 HFSXDRORAQMNNI-KRWDZBQOSA-N 444.381 4.831 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)c1cc(Br)cc(OC(F)(F)F)c1 2273096573 ZDDDIDKCIZZVKP-ZDUSSCGKSA-N 438.240 5.000 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2)SC(=Nc2ccccc2)N1CCCN1CCOCC1 2293069290 ZAJKJXAUTYOMBX-UHFFFAOYSA-N 441.984 4.666 30 10 IJEE COCCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccccc1 2293618943 ASWXZMVWKCEQJX-UHFFFAOYSA-N 448.500 4.895 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC1CCN(C(=O)OC(C)(C)C)CC1 2296274407 UJVICFXRDGEYSU-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CCC1CCN(C(=O)OC(C)(C)C)CC1 2296288769 KGLXRZLWPBOEIZ-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2296306496 HXTYXGAULJDIOY-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)OC(=Cc1cccnc1)C3=O 2297595874 QXEUUWXYDRATTF-IBGZPJMESA-N 427.456 4.926 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2304626666 VRAZWHRHDOIOBB-BPYKYCOYSA-N 428.573 4.698 30 10 IJEE CCOc1cc(C=C2SC(=Nc3cccc(C)c3)NC2=O)ccc1O[C@@H](CC)C(=O)O 2314934630 JAPRFJSDJXNKTK-KRWDZBQOSA-N 440.521 4.527 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(CC1CCC1)NC1CC1)Cc1ccccc1 2318403668 ZYJLYYFRSUENCN-NDEPHWFRSA-N 430.640 4.825 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(CCCN(CC)CC)CO4)C2=O)cc1 2322107736 RFLLCWGYTUIMAS-UHFFFAOYSA-N 436.552 4.585 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2COc2ccccc2Cl)ccc1OC(C)C 2322141803 QQPLHKSQTMUINC-UHFFFAOYSA-N 446.960 4.867 30 10 IJEE COc1ccc(OCc2nnc(S)n2N=Cc2ccc(O)c(Cl)c2)c(C(C)(C)C)c1 2322284189 UWEWKAASBBFRII-UHFFFAOYSA-N 446.960 4.693 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCC(=O)OCC(C)C 2323647916 FDURVQCWBDHKSJ-UHFFFAOYSA-N 438.520 4.906 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4OC)cc(C)c3C2=O)cc1 2323767951 QMJWIFAGEPFVRV-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2324451240 QRBHVEAQRJJTSG-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)s1 2324803856 LWLZXBFOODNGGQ-SFHVURJKSA-N 449.532 4.821 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1C 2325737849 ZDECZYNZITUFPZ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2326002878 YAPHPVYZYQFWGI-UHFFFAOYSA-N 445.932 4.846 30 10 IJEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC1(F)F 2327274299 JIATWAROKGQKGJ-JWQCQUIFSA-N 440.582 4.536 30 10 IJEE OCCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(Cl)c(Cl)c1 2329686963 DYCKNXKLSZQRCR-UHFFFAOYSA-N 441.409 4.788 30 10 IJEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(OC)c(OC)cc1OC 2330121847 SFGPDBPXWVUZEZ-INIZCTEOSA-N 440.569 4.840 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c2)c(OCC)c1 2331736420 HMBOPKFHMDWSFX-UHFFFAOYSA-N 443.452 4.612 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(Nc1ccc(C=CB3OC(C)(C)C(C)(C)O3)cn1)C2 2339543595 SYTDIAVAKBQTNM-RKDDFOCISA-N 441.381 4.584 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339602835 QLNZYXRUHMHRNN-JXOMPUQVSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CC[C@@H](C)CC1 2362552300 SXBOGJCNRDGIJQ-UWELNFAVSA-N 436.350 4.733 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2363625211 ZGGXKCSTGNEHRW-RBUKOAKNSA-N 449.414 4.586 30 10 IJEE Cc1cc(CNc2cnc(Cl)c(Br)c2)ccc1B1OC(C)(C)C(C)(C)O1 2369693609 DNXDFDQCNLVUQM-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE COc1ccc(Cl)cc1NC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCC[C@@H](C)C1 14160232 HTVSEGMUJNKXAX-CYBMUJFWSA-N 447.008 4.652 30 10 IJEE CCOC(=O)[C@@H]1CCCN(CN2C(=O)/C(=N/c3ccc4ccccc4c3)c3ccccc32)C1 16682703 DGRCNJRWVIWWFB-NHUUCQDUSA-N 441.531 4.540 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)cc1 59014798 LOZZFFVPCXXCNI-CHOFVFFHSA-N 426.521 4.634 30 10 IJEE CC(C)n1ncc2c(C(=O)N[C@H](C#N)c3ccc(F)cc3F)cc(-c3ccccc3)nc21 111029348 HIMZMMJHKLZUOH-JOCHJYFZSA-N 431.446 4.952 30 10 IJEE COc1c(Cl)cc(/C=N\n2c(S)nnc2CCc2ccccc2)c(OC)c1Cl 169911366 CTJKTHNQNFAZRK-JJFYIABZSA-N 437.352 4.558 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccc(C)c2)c1 169966892 XFDKULCUJUIWOY-XMMPIXPASA-N 442.515 4.853 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccncc2)c1 170014807 GTJWLOGVWILSRB-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)c(C)c1 170055091 NUFFZZTYQCKJKW-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccco2)cc1 170097244 ZSZBDTOXNDTDIE-DEOSSOPVSA-N 431.488 4.776 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(N(C)C)cc1 170129756 VBWRASWSDLYGJY-LJQANCHMSA-N 427.570 4.594 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)c1 170163232 OGBARFKISQGLDV-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)cc1C 170183263 CBZMRPQVPXHRAH-NRFANRHFSA-N 434.517 4.629 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccc(OCC)c1 170218516 NMBJLOWBCRIYRY-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)c1 170228703 NAFMOBLRIGTZRQ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1Cl 170231182 XPCNORPARWLEBM-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@@H]2c2ccco2)c1 170278613 UIOXUYYQVSVGNJ-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)c1 170296331 JIFFUKAHTVVGRZ-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1sccc1C 170318481 NRGWIJXRPBOROC-FQEVSTJZSA-N 440.609 4.802 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(F)c(Cl)c1 170333944 CLSWHNSZPRGRDU-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CC[C@@H](C)NC(=O)CSc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1 253571630 PFKPGOUTBBRQGN-GMJSKMFWSA-N 432.553 4.564 30 10 IJEE COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccccc3)SC2=Nc2ccccc2)cc1 254500226 CVMVRSWYYAUVNB-JOCHJYFZSA-N 445.544 4.856 30 10 IJEE Cc1ccc(C)c(NC(=S)NN=C2C(=O)N(Cc3ccccc3C)c3ccccc32)c1 254863417 PTZSCLXYTNKXQB-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE Cc1ccc(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c(C#CCCO)c1 390657908 PETRXBZYZWTLBS-UHFFFAOYSA-N 440.587 4.551 30 10 IJEE C=C(C)[C@H](NC(=O)c1c(F)cccc1I)c1ccc(F)c(F)c1 484446572 XPQOSZWCBLRQFC-INIZCTEOSA-N 431.195 4.756 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H]1CCN(C(=O)c2ccccc2)C1 509074246 HYQIQXIQVAUOJH-FQEVSTJZSA-N 448.592 4.606 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 526517606 VOHPJNXAQNVSOI-QHCPKHFHSA-N 441.443 4.922 30 10 IJEE COc1ccccc1NC1=C(Sc2ccc(C)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 526639625 BIVYZHBBYAGRJI-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC)c(Br)c1 526800218 VIVBRIAHDQUCHA-MTJSOVHGSA-N 431.359 4.786 30 10 IJEE COc1cc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)ccc1O 526800572 UEJGNMNUDSQSPK-ONUIUJJFSA-N 444.560 4.952 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 553054642 DOIXTVVSNZXGOG-VXKWHMMOSA-N 445.519 4.714 30 10 IJEE CCc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 586228579 XYYMURYDLTUQJX-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)ccc2I)CCCC1 690749461 PAPXJGDRVPGSRR-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE N#CCOc1ccc(Cl)cc1CONC(=N)c1ccc(Oc2ccc(F)cc2)nc1 735303612 XSXHXIYCMMBQEI-UHFFFAOYSA-N 426.835 4.616 30 10 IJEE COC(=O)N(C)Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740454673 DNSARXGMOVFKNR-UHFFFAOYSA-N 434.521 4.807 30 10 IJEE N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1ccc(F)c(F)c1 786573107 VETAXHUSKWGWEX-GFKDLEGOSA-N 442.771 4.589 30 10 IJEE COc1ccc(CN[C@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C#N 796338789 OULHEBBXTSXONS-GFCCVEGCSA-N 425.838 4.746 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 800776793 IKNLJAWYKQTZIO-DQEYMECFSA-N 443.595 4.653 30 10 IJEE N#Cc1ccc(N=c2scc(-c3cnccn3)n2[C@@H]2CCO[C@@H](C3CC3)C2)cc1Cl 803193610 AXMVXQUGTARIIE-DYESRHJHSA-N 437.956 4.894 30 10 IJEE C#CCOc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 1126141373 KOBHVCWTZLFEOT-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE CC(C)Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc1 1144758575 HYIZETPGIMTRCP-QFIPXVFZSA-N 440.385 4.670 30 10 IJEE C=CCC1(NCC(=O)Nc2c(C(=O)OCC)sc3nc(C)cc(C)c23)CCCCC1 1175371953 OPHJJTZWJHVGRM-UHFFFAOYSA-N 429.586 4.897 30 10 IJEE CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1179393613 CLPBIQPRZLBDAM-UHFFFAOYSA-N 429.545 4.916 30 10 IJEE C=CCn1c(SCCC2CN(C(=O)OC(C)(C)C)C2)nc2cc(Cl)ccc2c1=O 1187994192 HKZPDICEWKHBDL-UHFFFAOYSA-N 435.977 4.585 30 10 IJEE C#CCN(C(=O)Nc1cccc(OCC(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1214750785 GYOSRLDVPGPAKN-UHFFFAOYSA-N 429.561 4.588 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Br)cc1 1214761199 NVMRNHGJDVPDFT-FQEVSTJZSA-N 440.341 4.571 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](C)Oc3cccc(Br)c3)cc2n1 1220157279 DSFCIZNCKZVJTP-CQSZACIVSA-N 429.318 4.574 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(c2ccc(Br)cc2)CCCCC1 1222276582 CZHFLIMQVCVCEU-YLJYHZDGSA-N 435.406 4.931 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1 1227437042 XUNPELYCLFNOBI-OAQYLSRUSA-N 431.577 4.524 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 1229989354 IHHITGGAKRJVFG-OAQYLSRUSA-N 447.501 4.600 30 10 IJEE C#C[C@H](NC(=O)N1CCOc2ccc(Br)cc2C1)c1ccc(Cl)cc1F 1252478720 FGWMAHXTAHVTTE-KRWDZBQOSA-N 437.696 4.520 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C)nc1OCC)c1ccc2c(c1)OCO2 1264077438 BGXPQNNNIQCGLV-UHFFFAOYSA-N 446.503 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 1270659993 VZRAUMZDLZWLFJ-JRGCBEDISA-N 430.342 4.667 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1286333244 ADTOSPKOJHAFEU-LJQANCHMSA-N 433.369 4.944 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@H]1C(=C)C 1286423403 LGNIMHAIVUYTMA-UTKZUKDTSA-N 443.378 4.696 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@@H](C1CCCCC1)N(C)C 1286458265 OQPGJHZYQUPKMD-DEOSSOPVSA-N 437.607 4.520 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1286495673 BUZUWBRYNKLTPC-QZTJIDSGSA-N 443.686 4.877 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)cc1 1286554820 IKPIZCVLKZYCBH-ICSRJNTNSA-N 445.405 4.926 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 1286619694 UTQPZZRVFQFLRD-UHFFFAOYSA-N 448.514 4.537 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1286640562 LNQVSSQBUOIYSS-SFHVURJKSA-N 433.556 4.580 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)c2c(C)noc2C)CC1 1286649562 POHPNBMZIVTVTF-MRXNPFEDSA-N 425.508 4.561 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1286684512 IOJVEMKSUHFXKT-QUCCMNQESA-N 430.618 4.720 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1286758789 DLAHZULZBKEDNE-LEWJYISDSA-N 432.616 4.649 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)OCCc2sccc21 1286758821 WBSQKBZZAGOZFW-DEOSSOPVSA-N 438.572 4.736 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1286763359 IBMFWYCWIXORJO-VWNXMTODSA-N 443.551 4.626 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 1286801013 VCESGOFCVQOGQV-DYQZNNLLSA-N 443.661 4.718 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H]1CSC 1286825869 QMRNXVAETBTGKA-SFHVURJKSA-N 440.642 4.586 30 10 IJEE CC(C)C(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1287138027 DXHRNIXTTRPBMP-UHFFFAOYSA-N 438.595 4.955 30 10 IJEE CC(C)C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1287338245 CZIBWNZRZFSDSW-ZEQKJWHPSA-N 436.648 4.560 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 1287739565 ACEKTQUIRGNCMB-WIOPSUGQSA-N 426.653 4.509 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1 1289845154 WVRWLRORNPLAHW-OAQYLSRUSA-N 442.600 4.728 30 10 IJEE C=C[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 1294989419 UJTSMQSNHIVZAB-ZUOKHONESA-N 445.350 4.898 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1Cc2cccc(Br)c2C1 1300361588 HNQGZANOPKFQDQ-LJQANCHMSA-N 429.362 4.606 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCCN1CCCC[C@@H]1C 1300643758 MLQMMHNTNOWDPN-NRFANRHFSA-N 425.646 4.603 30 10 IJEE C=CCN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O)[C@@H](C)COC 1300717741 MJVOOHFJYQRZJJ-ZDUSSCGKSA-N 437.323 4.614 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cc(C)cs1 1300743696 YFIDAIJDLRAAMW-UHFFFAOYSA-N 448.564 4.919 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)c1ccccn1 1300816954 YSMIBGQUADOWGS-HHHXNRCGSA-N 443.595 4.839 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1300843142 CGWMNKFJBSZSPI-DOTOQJQBSA-N 435.366 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1300879135 AKMYGCJGLIPTNU-KUDFPVQQSA-N 427.499 4.730 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1300944553 WWGAFOFYSQDADO-FXAWDEMLSA-N 443.567 4.790 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 1300950966 TXXJJVTYRGJFOR-LJQANCHMSA-N 431.625 4.841 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1300979902 HZRVKEIXURDYEA-MRXNPFEDSA-N 428.483 4.841 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1301127347 JNDCKYUJOSEFER-UHFFFAOYSA-N 432.996 4.988 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1301164904 XVYBQKJGDFOODV-OAQYLSRUSA-N 449.624 4.880 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1301208062 NBQGTSJMTSAUKL-BEFAXECRSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCCc1c[nH]nc1C 1301346412 BYDILYDABXKJNS-UHFFFAOYSA-N 447.974 4.850 30 10 IJEE CC(C)(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1302185261 HOUUCLRAWFAQSV-HXUWFJFHSA-N 433.398 4.992 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)C(=O)OC 1303687785 SCVBGHIZRBPULX-NRFANRHFSA-N 434.540 4.615 30 10 IJEE C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1ccc(Br)cc1 1307264185 SDWCSARQWNHVCV-UHFFFAOYSA-N 428.315 4.722 30 10 IJEE COc1cc2c(cc1Cl)CN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)nc1)CC2 1310113245 CKVQWQSDLKEIFS-UHFFFAOYSA-N 434.883 4.998 30 10 IJEE C=C1CCC(CNC(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)CC1 1313258233 MVNGUFKEORAEAD-UHFFFAOYSA-N 439.369 4.726 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC2(COC(C)(C)C2)C1 1313386587 IGSPCZJCQUBDHR-UHFFFAOYSA-N 425.342 4.634 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC(C)C)nc1 1313794052 HVMGSARTALKGRT-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(F)c1F 1320072762 XZQZRDHFKQDAFL-LJQANCHMSA-N 441.503 4.565 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCSC1(C)C 1358953426 XDDZWNNVZNCIQV-LJQANCHMSA-N 426.630 4.890 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)c1nccs1 1359015809 GBIBWDVCJHRHIW-KRWDZBQOSA-N 446.555 4.688 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(CC)CC(C)C 1359102549 CKGIVNPUXSJGRK-XUZZJYLKSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@@H](Oc3ccccc3Cl)C2)nnc1C(C)(C)C 1359105193 LBVCGTUCYGEKBF-UEXGIBASSA-N 445.007 4.868 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1359109623 IQYNZTMLPZMNJL-UGKGYDQZSA-N 440.588 4.918 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1359160700 ALTJBCLGPBPEAQ-FQEVSTJZSA-N 445.995 4.916 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN(C(C)C)C(C)C)CC1 1359181014 BFGGESMIUPJQBV-UHFFFAOYSA-N 439.648 4.995 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2csc(CC)n2)CC1 1359181976 NVXBWKRGERQYBX-UHFFFAOYSA-N 437.613 4.889 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1359183899 XICBBYYKNNPLNV-IBGZPJMESA-N 428.556 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(OC)CC1 1359190352 NAGRMNXYHAPTQL-VWLOTQADSA-N 436.604 4.514 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 1359194178 QMUGHMWAEFEEBZ-DNQXCXABSA-N 437.632 4.658 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1359216757 CPVWJUXPOGRFQW-MOPGFXCFSA-N 430.543 4.756 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CCN(C(=O)OC(C)(C)C)C1CC1 1359236436 LMWFTXRCBOMPSH-UHFFFAOYSA-N 448.571 4.515 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@H](C1CC1)N(C)C 1359262544 XAQGGBXSJYGCGJ-NRFANRHFSA-N 425.577 4.679 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1359339978 XCVISADOPLIIKD-ROUUACIJSA-N 446.642 4.703 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1435136561 MANRJGJWHQUTKJ-AVRDEDQJSA-N 442.918 4.818 30 10 IJEE CCC(CC)CN(CCC#N)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1443561025 BOBNLUBPGHQOJO-UHFFFAOYSA-N 432.565 4.581 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 1450080915 MNONJLFSCGZSSV-GKVSMKOHSA-N 442.490 4.543 30 10 IJEE C#CCN(C(=O)CCc1ccc2[nH]ccc2c1)[C@@H]1CCOc2ccc(Br)cc21 1456451190 TXBOSNDYGWLHHR-OAQYLSRUSA-N 437.337 4.849 30 10 IJEE N#Cc1cc(NC(=O)CSc2ccc(Br)cc2)ccc1OC(F)(F)F 1459528027 AIGPJNIQRMUIKV-UHFFFAOYSA-N 431.233 4.950 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1470615612 RAWRQCMHBPCFNH-PEZBUJJGSA-N 429.442 4.963 30 10 IJEE N#Cc1c(NC(=O)CN(Cc2ccccc2)CC2(O)CCCC2)sc2c1CCCCC2 1473271416 AJNXNLFILRFHGL-UHFFFAOYSA-N 437.609 4.634 30 10 IJEE C[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1494548355 FCGAXBFKDKZUGU-UZLBHIALSA-N 447.505 4.658 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCCC2)CCCCC1 1504057159 HTYBUQFOXWOVFF-UHFFFAOYSA-N 437.588 4.849 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1507568754 ZJPPMNXCYGISGP-UHFFFAOYSA-N 435.616 4.632 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 1507578390 ZXFIQZCRZBHFHG-CYBMUJFWSA-N 441.295 4.742 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCCN1CCC[C@H](C)C1 1507618574 AIBWAWZPCRDIMQ-IBGZPJMESA-N 446.064 4.805 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1CCO[C@H](C)C1 1507762612 WSQKMXAZFXYAJG-NXMSCROESA-N 442.991 4.804 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1ncc(CC)s1 1507794925 JNVRSSCJAKSUNJ-IIBYNOLFSA-N 441.576 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1507800292 UXFILGGKVHJAFN-QLDGJZPUSA-N 446.542 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC(C)(C)C)nc1 1507826225 JXGQWVQZKKNYSC-UHFFFAOYSA-N 440.617 4.657 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1507879021 NYDUWZOLOSUCLG-UHFFFAOYSA-N 431.874 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1507880249 IVCKUDGQACRCNS-VGSWGCGISA-N 447.421 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CCC)C1 1507912373 UKOZXQQISQHGJV-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)c1ccccc1 1507974527 HRVVHWHFDDWAAK-OAHLLOKOSA-N 433.375 4.779 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](OC)C(C)(C)C 1508037018 HVWQIOPLJVWETK-QFIPXVFZSA-N 437.588 4.502 30 10 IJEE CC(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(C)C)CC2)CC1 1509836765 DAQYDFVEHYQGAP-UHFFFAOYSA-N 437.588 4.559 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(C#N)C1)OC 1512768562 AREVWZDOXUUQRO-QRJOEMBSSA-N 439.604 4.665 30 10 IJEE C=CCC(CC=C)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OC(C)(C)C)C2 1515310351 UEZQYMFSUSBIGP-UHFFFAOYSA-N 448.585 4.925 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1)[C@H]1CCCO1 1517656890 NZUVCRBXQXEEPP-QZTJIDSGSA-N 448.375 4.672 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)cc1 1523871716 WCFMQLCILLOMBX-UHFFFAOYSA-N 429.520 4.931 30 10 IJEE Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 1525715318 GMLXASWCLXSAQB-UHFFFAOYSA-N 427.439 4.763 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1525767004 GOXDITPCPHZFMF-FGZHOGPDSA-N 425.573 4.916 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2ccc(C)s2)ccc1F 1535315352 HCZLAUXVPVINRF-UHFFFAOYSA-N 430.526 4.579 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cnc(C)s2)c1 1536384547 XIZQNONCIGZOSY-UHFFFAOYSA-N 447.969 4.739 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(Br)ccc1N(C)CCN(C)C)c1ccccc1 1537042314 LVHHFOJTXHJISB-KRWDZBQOSA-N 430.390 4.745 30 10 IJEE CCC(=O)N1CCc2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc21 1538650441 GVUVOEZYHXKLSX-UHFFFAOYSA-N 425.488 4.689 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c(OC)c1 1538946220 MGDUJXTUVUMECK-UHFFFAOYSA-N 425.525 4.716 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C1CCCCC1)N(C)C 1538985580 BLGZJXHTIDBXIZ-DYESRHJHSA-N 444.023 4.576 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(C#N)C1 1539053029 YAWBDFCYKKRDKA-LJQANCHMSA-N 432.391 4.703 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](CC(C)C)N(C)C 1539160762 AGDSZZYLEXBPCT-HXUWFJFHSA-N 439.604 4.858 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1539643992 CQUWDYIZHZQKBH-JKMAKKBCSA-N 432.515 4.586 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)c2ccco2)CC1 1539828394 JOZSZQPAWPBOOV-SBUREZEXSA-N 442.947 4.729 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1539917049 QOSLOBQUWGHRIX-GOSISDBHSA-N 428.602 4.545 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 1539921261 TVKOZEFHZHLCCI-OFVILXPXSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1539981144 FALCOCKIHUQUEL-RTBURBONSA-N 449.368 4.961 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1540052135 YLPZPUVOFNROFD-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540909470 IFYNWFKVAMBFAB-VXKWHMMOSA-N 436.629 4.814 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccccn2)CCC1 1546935669 ICSQIHAWKOPFQX-UHFFFAOYSA-N 430.556 4.731 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1556618095 AFSVAWMKHGMLEP-HXUWFJFHSA-N 435.549 4.955 30 10 IJEE C=CCCC1(CNC(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CCCC1 1557475269 LQPMTSCXDLCGEJ-RUZDIDTESA-N 434.621 4.562 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 1559182644 OWERQQWSHXDLIT-UHFFFAOYSA-N 434.849 4.882 30 10 IJEE C#CC[C@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1ccccc1 1559702046 IUSZQZBCBCOUSC-GMAHTHKFSA-N 431.923 4.965 30 10 IJEE C=CCc1cc(CNCc2c[nH]nc2-c2ccc(Br)cc2)cc(OC)c1OC 1560321936 JCSQTLFZGXSRQM-UHFFFAOYSA-N 442.357 4.875 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)c1 1561220854 LIBNNKGVSAUWED-UHFFFAOYSA-N 439.920 4.503 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 1561546374 RWWJIDAWWVTSKN-NRFANRHFSA-N 439.499 4.504 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(Cl)c1 1563327746 WYXSOZWIFLELSU-LZQZEXGQSA-N 431.964 4.867 30 10 IJEE COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 1565883997 FZOMMILWCXWISB-IBGZPJMESA-N 448.954 4.809 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(SCc4ccccc4)cn3)C2)c(F)c1 1567065818 DYTMGSILALRXGY-LJQANCHMSA-N 432.524 4.850 30 10 IJEE C=CCC[C@H](C(=O)N1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1)c1ccccc1 1583624936 IGLXXYNUFGELQF-QFIPXVFZSA-N 430.552 4.971 30 10 IJEE COC(=O)C[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1cccc2ccccc12 1584293189 CTJODJGMAYYKMD-JOCHJYFZSA-N 447.560 4.544 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)C(C)C 1585128737 KEDWKDDFEVUOBM-YPAWHYETSA-N 435.653 4.665 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccn1Cc1ccccc1Cl 1586064364 VBDZRRJCCJTBTA-INIZCTEOSA-N 439.343 4.559 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1nccs1 1587813271 KQSQHRGNMOGKGP-UHFFFAOYSA-N 434.594 4.883 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)CCC 1587855771 AWYJGOHRVWFEPJ-IBGZPJMESA-N 431.625 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCC(F)(F)C1 1588245518 HKSRDBDHKSGNTE-OAQYLSRUSA-N 440.538 4.578 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@@](C)(CC)O1 1588288725 JQCFXROBBCUIAU-HRAATJIYSA-N 449.368 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1589228474 OEPKNNWMDYJQAE-XZDHIHRUSA-N 426.630 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1589545628 OHLBUOKBTNYKNW-QQMNAOGKSA-N 430.543 4.860 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H](CC)N1CCCC1 1589626589 YKZQUJUMRSAFRA-SFHVURJKSA-N 446.437 4.984 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1)c1ccccc1 1594545378 SXDZTJYMTJFNNQ-RPWUZVMVSA-N 438.616 4.926 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1=CCCOC1 1594552425 NLEQQHSGTZNWCW-UHFFFAOYSA-N 434.382 4.565 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cc(Cl)ccn1 1594627172 SDRCSEYRMQSWGM-NRFANRHFSA-N 439.947 4.832 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1594687060 CSJDSLVMRIEHGK-VWLOTQADSA-N 434.588 4.943 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C(F)(F)F)C1 1594693361 XQXMUYWTDIUQPK-KSSFIOAISA-N 440.535 4.865 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1594788859 UXQJWVZRUGBURF-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCCCO1 1594793055 FRNZLZUDJCQIBC-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCc1c[nH]nc1C 1594866119 ABQQIUVOPSTZLZ-UHFFFAOYSA-N 433.585 4.664 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(N2CCCCC2)c1 1595010257 UKKQPYLXEOGUAJ-UHFFFAOYSA-N 448.640 4.935 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH]c3c(CC)cccc23)CC1 1597024326 GRNCHVTWPFJSFZ-QFIPXVFZSA-N 437.584 4.743 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3cccc(Br)c3[nH]2)cc1OC 1597549455 PZBRNMMZVVBRKM-NTMALXAHSA-N 428.286 4.551 30 10 IJEE C=CCc1cc(C(=O)N2CC(Cc3ccc(Br)cc3)C2)cc(OC)c1OC 1598644434 MSWFMTLRGCNIEE-UHFFFAOYSA-N 430.342 4.510 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)cc2n1 1611188569 UOIUESSQBUUREK-UHFFFAOYSA-N 425.414 4.738 30 10 IJEE C=CCn1c(SCC(=O)c2c[nH]c3ccc(F)cc23)nc2cc(Cl)ccc2c1=O 1613135940 HACCZQRHJMWGMH-UHFFFAOYSA-N 427.888 4.831 30 10 IJEE C=CCn1c(SCC(=O)NCCC2CCCCC2)nc2sc3c(c2c1=O)CCCC3 1613284354 WZVALXOPCMKDRN-UHFFFAOYSA-N 445.654 4.702 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)s1 1618322811 PPGUKNYMWUVXDA-INIZCTEOSA-N 445.013 4.828 30 10 IJEE C#C[C@H](NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1)C(C)C 1626398193 XQBBEEGEYLAPGM-DEOSSOPVSA-N 442.515 4.706 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccccc3SC(F)(F)F)ccc2c1=O 1626658408 YKBVDZWMMWGMGY-UHFFFAOYSA-N 437.468 4.735 30 10 IJEE C=CCN(C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1)C1CC1 1631526915 IUJLUBMOGVOJNR-UHFFFAOYSA-N 426.582 4.884 30 10 IJEE CC(=O)NCCN(CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccc(C)s1 1642842180 BDOUKLLWCYRHND-UHFFFAOYSA-N 431.605 4.895 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1OC 1645299964 JLMQPLXIJLNXSP-LSDHHAIUSA-N 437.403 4.773 30 10 IJEE C=CCN(C1CC1)S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 1654748306 TUPMZBHTOHGMAC-UHFFFAOYSA-N 426.307 4.720 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccccc1CN1CCC(C)CC1 1657913371 HJQSMGAIJHWPKJ-UHFFFAOYSA-N 441.413 4.983 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NCCc3cccc(Br)c3)c2)nc1 1659473408 AGVONGAXVRHREE-UHFFFAOYSA-N 437.297 4.872 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCCc3c[nH]c4cc(Cl)ccc34)n2)c(Cl)c1 1660131285 CXWBBFNVLMGQDU-UHFFFAOYSA-N 439.306 4.896 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(Br)c(OC(C)C)c2)cc1 1667590141 XZNMBVKAVNBGDC-UHFFFAOYSA-N 432.318 4.796 30 10 IJEE C[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1Oc1ccccc1 1668001776 HVKPSXXBDQWCCA-RXVVDRJESA-N 428.492 4.669 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1 1668636980 GSGRXIBHCWDUTQ-FQEVSTJZSA-N 434.540 4.603 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1)[C@H]1CCCc2ccccc21 1670519850 JSBXKCXNMXZASP-VGSWGCGISA-N 432.499 4.968 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 1671889812 OXXUSBWHEIWBPO-LRQRDZAKSA-N 426.358 4.619 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1Oc1cccc(I)c1)C(C)C 1674436808 BIYSZCDTAKWROV-MRXNPFEDSA-N 434.277 4.863 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1679539052 SQWXQTJKHLRONC-MISYRCLQSA-N 431.374 4.886 30 10 IJEE Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NC1CCN(c2ccccc2C#N)CC1 1682634701 DKOBPPRZPWLEDB-UHFFFAOYSA-N 432.612 4.983 30 10 IJEE C#CC[C@H](COC)NC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br 1684426274 VZCKKAYNCNGISN-QGZVFWFLSA-N 435.387 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(C(C)(C)C)no1 1689835312 KAYDFQZPGDIJES-HOTGVXAUSA-N 437.613 4.923 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1689882733 KCEJJTWDBYECNQ-HXUWFJFHSA-N 449.624 4.702 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCn2ccnc21 1690256137 FASALMDTOHMXKL-MOPGFXCFSA-N 438.551 4.734 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(C)o1 1690319812 ZKDUBRQRBKDJSP-HXUWFJFHSA-N 440.519 4.832 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCCS2)CC1 1690414805 LDFHLFNXFKDOBE-JOCHJYFZSA-N 426.630 4.760 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1690419765 AVHAXSHXSYXDRG-ZJOUEHCJSA-N 441.595 4.832 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690456615 IZWLOGPMRMDFML-UHFFFAOYSA-N 442.629 4.548 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)CC1 1690472660 SOVONBSTZGWWQG-SFHVURJKSA-N 429.996 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CCc1cccnc1 1690573898 HULYUSMKZMPMQV-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCSC1 1690738466 NSAJOBZIYXWZOQ-CQSZACIVSA-N 439.448 4.569 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1)c1cccnc1 1693677228 HENKRCMFMSHEIX-RDPSFJRHSA-N 444.583 4.800 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](OC)C(C)(C)C)C1CCCC1 1695567003 BACHVOVKFGZDOI-OAQYLSRUSA-N 425.577 4.559 30 10 IJEE CCOc1cc(CCCn2c(C3CCC3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1OC 1696104147 BMXQBJKDOQHMRS-VWLOTQADSA-N 437.588 4.716 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nccc(C(F)F)n1 1705482018 QVMYJKRYUPPLEY-CQSZACIVSA-N 442.539 4.509 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1705543878 WISDZCRMMJKTBW-QHCPKHFHSA-N 449.643 4.767 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1705585357 QCPCSMQKCXYOBR-DNQXCXABSA-N 446.639 4.756 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705795571 MWIDGBOOEUSNOS-MXEMCNAFSA-N 430.637 4.804 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](OC)C1 1705814600 UREFKAXSNGCEHN-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CC1(C)CCC1)C1CC1 1705858705 SSODZJPCDPLJJV-UHFFFAOYSA-N 431.378 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCSC1(C)C 1705871728 VLHJIIKEHXHILK-KRWDZBQOSA-N 428.602 4.672 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@@H](C)C1 1705879538 CQABZOOGISRZOL-RBUKOAKNSA-N 426.586 4.574 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1Cc1nc(C(F)(F)F)cs1 1711072619 GKRIEYNOAQPJCY-UHFFFAOYSA-N 446.502 4.967 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722312006 RBWATSBTMLYPQO-NVXWUHKLSA-N 449.368 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@H](C)C1 1722388649 GVSHRTTXHWSVAK-UXHICEINSA-N 436.625 4.554 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1722620306 QOXXWOHAMPJPNV-FQEVSTJZSA-N 435.597 4.886 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cn3ccccc3n2)n1CCC(C)(F)F 1722663237 SOOWJHIBNYDYIT-UHFFFAOYSA-N 442.539 4.816 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(C)ccc21)C(C)C 1722665219 LLVHCCOJCCWWQD-ILBGXUMGSA-N 449.643 4.873 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(F)(F)F 1722675067 JCSQMLFXDVHVJJ-OAHLLOKOSA-N 438.425 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC1(C)C 1722688421 BWPLKHOCAOMDII-MRXNPFEDSA-N 431.378 4.844 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H]1C 1740687998 JZCIXLGIOUOSME-ROUUACIJSA-N 433.021 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](c1ccsc1)N(C)C 1740733906 NVOBYSGIZWRVDG-RCZVLFRGSA-N 449.624 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC[C@@H]1OC 1740767110 PMWXZOBOXHQAAN-WFXMLNOXSA-N 448.995 4.525 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N(CC)Cc1nc(O)c2sccc2n1 1740806277 KYHWRBMTCOXMPU-UHFFFAOYSA-N 444.923 4.574 30 10 IJEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCCCSC)CC1 1740826008 WKWFDDYUFWBISN-NRFANRHFSA-N 428.602 4.870 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)Sc2ccccc2)CC1 1740835544 GSNOLRBOBFTZLA-YADARESESA-N 442.629 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCN(CCC)C2)CC1 1740837659 ZIYGJXRAXISMQR-SFHVURJKSA-N 431.987 4.872 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)s1 1740916311 JOBGEQIBWBPFGU-OAQYLSRUSA-N 433.581 4.655 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1csc(-c2ccco2)n1 1740928849 XTDJPZZMZOWVCZ-UHFFFAOYSA-N 428.521 4.760 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1741001190 NMIVKATXJVMLEJ-LJQANCHMSA-N 436.984 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCSC1 1748654811 LHUYQLOQJUZLCR-HOTGVXAUSA-N 433.419 4.617 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC(C)C)C1CC1 1748750411 GAHQTBVQGVWURT-FQEVSTJZSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCCO1 1748873438 OTFGGZUGEDJVDH-NRFANRHFSA-N 448.567 4.845 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(OC)C1 1749024441 QMRWOJFQXVXBME-HXOBKFHXSA-N 444.670 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749130495 MBLVMMMPEVLSHF-CVDCTZTESA-N 444.645 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCn2ccnc21 1749165566 JFWCBPPLLJNOBW-NRFANRHFSA-N 434.588 4.650 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1749198733 SYFNCCBMGHYMHO-FQEVSTJZSA-N 444.366 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@H](COC)C1 1749357121 JVMMTXRHHHUDHN-IBGZPJMESA-N 442.604 4.818 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cccs1 1749434404 RHHIYGDNGDUNGT-INIZCTEOSA-N 427.599 4.639 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC(CC(F)(F)F)CC1 1749459232 CDVDHIFJEQNWHA-UHFFFAOYSA-N 428.524 4.692 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)C1 1749701429 UGGRTQCPUZGGGX-NNMXDRDESA-N 444.023 4.500 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(NC(C)=O)cc1 1760104357 XFBKNNKISLQJOK-KRWDZBQOSA-N 447.608 4.740 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1760237713 SGANPJGRWLRVPV-XUZZJYLKSA-N 438.616 4.775 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCC1=CCCCC1 1760244781 HBORBJFEHDIZOR-UHFFFAOYSA-N 449.418 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760409804 IGTDKAIFAYSGJJ-UHFFFAOYSA-N 449.559 4.802 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760451988 AFCRDHVWPCWSQK-HXUWFJFHSA-N 429.634 4.752 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCc1cc(Br)ccc1F 1760493489 FXFCOHFEUPMYQA-IBGZPJMESA-N 449.368 4.842 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCOC(C)(C)[C@@H]1C 1760563724 ARQOBTSEKJMJKM-KRWDZBQOSA-N 439.585 4.523 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1764622873 AJZJYNDPNJUPDR-QFIPXVFZSA-N 444.583 4.921 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1C 1771110151 GIRNLAPEMXKXTG-WMZOPIPTSA-N 446.393 4.510 30 10 IJEE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNc1ccc(F)cc1)CCC2 1772750030 VUBGUVCDUUEZHB-UHFFFAOYSA-N 435.455 4.919 30 10 IJEE COC(=O)c1ccc(Cl)c(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)c1 1858865317 CQGOXYMYALQABU-UHFFFAOYSA-N 436.855 4.616 30 10 IJEE COc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4cccc(C#N)c4)cc3)CC2)c1 1860670407 PKKWBCLMXJWGPC-UHFFFAOYSA-N 438.483 4.716 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(O)c2)c1 1862489551 CHMVZVQWJZRNDE-DEOSSOPVSA-N 443.499 4.666 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862534010 QFEVKFMHSVNVAO-QHCPKHFHSA-N 442.471 4.936 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC)c(OC)c1 1862585766 DKMKXFMZKFPCOK-GOSISDBHSA-N 436.291 4.609 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(OC)c1 1862653628 SZGICZKRRRTNKV-IQMFZBJNSA-N 431.488 4.931 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1862675734 SBLQSDFLTITXDR-PEBXRYMYSA-N 433.435 4.576 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 1862680417 BFHJBMCXMZCLKC-LJQANCHMSA-N 444.846 4.908 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680784 KNLUDHUPERWMDZ-GOSISDBHSA-N 432.835 4.766 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2F)c1 1862702454 CKCJPZDGLVGGIY-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862737084 RVBRVROYIXXHHY-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(Cl)cccc1Cl 1862759879 ACTUNJWSZXBWEK-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE CCc1ccccc1OCC(=O)Nc1c(Br)cc(C#N)cc1Br 1866094446 GETNJNUMNYPJPV-UHFFFAOYSA-N 438.119 4.663 30 10 IJEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)C(c1ccccc1)c1ccccc1 1870105277 KAJJJKPQRATEMB-UHFFFAOYSA-N 427.895 4.622 30 10 IJEE CCCCCCCCNC(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1O 1870128333 PVKIKURKBOOZAI-UHFFFAOYSA-N 426.435 4.532 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1Cc1ccc(F)cc1 1870690451 HXYKWCTYQWDYRT-UHFFFAOYSA-N 432.539 4.831 30 10 IJEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Cl)cc1 1871250893 BSRWXNSECIEMDA-UHFFFAOYSA-N 437.927 4.601 30 10 IJEE CC(C)(C)c1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCO)c1 1871254405 VMIOXXRDPJYXNR-UHFFFAOYSA-N 445.563 4.591 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)c1OC 1871372051 XKRNLWKWZFJNFL-HMAPJEAMSA-N 448.446 4.916 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 1871389325 PVTGRCLUBLEJMA-MTJSOVHGSA-N 429.428 4.541 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(O[C@H](C)C(=O)OC(C)C)ccc3C1=O)cn2C 1871401219 WYJDPPSDRMXDHA-VEKQOBIDSA-N 435.476 4.522 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871891035 KITVIMPQWFVIIK-LAUBAEHRSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872078109 HEIOZSNBAMSIDQ-QHCPKHFHSA-N 428.598 4.788 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OC)c(OC)c1)n2CCCC 1873656854 PBAXLUQNUZEMTF-UHFFFAOYSA-N 449.555 4.679 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2O)cc1 1874421242 BMIQHHSCLYYDLV-CIAFOILYSA-N 437.506 4.795 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)NC2CCCCC2)cc1 1874439611 KPJSNTYYUOPUGA-PCLIKHOPSA-N 441.645 4.852 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2)o1 1874466226 CXNNQUFJTJKLSJ-FSJBWODESA-N 440.456 4.621 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c(O)c1 1874469080 MVGXEDWHNFBXDX-AUEPDCJTSA-N 444.875 4.916 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3nccs3)nnc2C(C)(C)C)cc1 1874482072 INMWLKUQJWSNQX-FSJBWODESA-N 442.614 4.769 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)o1 1874519217 HXEFEDKWEJNYHJ-SSDVNMTOSA-N 430.917 4.753 30 10 IJEE CCCOc1cccc(/C=N/n2c(CC)nnc2SCC(=O)Nc2ccccc2C)c1 1874524551 TZBWCLFPWJEFBH-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)N[C@H](C)c1ccccc1 1874577045 UCBZEXFZVHMMEM-BMINWGARSA-N 445.515 4.856 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2cccc(OC)c2)CSc2nnc(CCOC)n21 1874905208 NSZLTTVXIUSCBG-HXUWFJFHSA-N 446.617 4.538 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1C 1875186897 MZQYIMLOVIMZOR-VOTSOKGWSA-N 447.487 4.840 30 10 IJEE C=CC[C@H](COc1nc(Br)c(Br)s1)NC(=O)OC(C)(C)C 1886308263 WNPMJZIOMSQHEU-MRVPVSSYSA-N 442.173 4.516 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccc(Br)c3)cc21 1890549282 HCVUAFCZIFILGB-UHFFFAOYSA-N 443.341 4.568 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cccc3ccccc23)[C@H]1c1ccc(C#N)cc1 1892020579 LNUTZKPIKPNEJY-DNQXCXABSA-N 429.545 4.744 30 10 IJEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1938190008 AUVXMTMWNDUMPA-LSDHHAIUSA-N 437.503 4.865 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC[C@@H]21 1940541110 IVDKTOJJRDRUKB-SIFCLUCFSA-N 447.498 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)C(F)F)NCCC 1984701620 UNQOLNNGARNELJ-VQTJNVASSA-N 426.548 4.924 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Cl)c(Br)c1F 2035952585 BLIWXVLRNJUKQI-CZUORRHYSA-N 433.749 4.809 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2067829006 XURDYRSLOCKFJD-VVZHRXSXSA-N 446.632 4.524 30 10 IJEE CC[C@@H](c1ccc(C)cc1C)n1nc(C(F)F)c(/C=N/O)c1I 2079101487 UKOYOHSZJYFBPK-NXSNIQIJSA-N 433.240 4.850 30 10 IJEE Fc1cc(Cn2nc(I)cc2C(F)(F)F)ccc1C(F)(F)F 2079173058 ISHARKPVMVNJGR-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE CCOc1ccc(C(F)(F)F)cc1-n1nc(C(F)(F)F)c(C#N)c1Br 2080326362 LWNDCRXXJLXBDK-UHFFFAOYSA-N 428.130 4.943 30 10 IJEE N#Cc1cnc2c(-c3c(F)cccc3I)c(C3CC3)nn2c1Cl 2081443936 LNMIXGPJXKZHIL-UHFFFAOYSA-N 438.631 4.542 30 10 IJEE Cc1c(C#N)c(N)n(-c2cc(Br)c(Br)c(Br)c2)c1C 2095437274 MMQXHIXZRUMIEL-UHFFFAOYSA-N 447.956 4.836 30 10 IJEE CCN(c1ccc(C#N)c(Br)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 2118192393 ORXAWCBRTFJKKS-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE N#C[C@@]1(Nc2ccccc2Br)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156278379 MGXFOYCBUNLALX-YADHBBJMSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(OCCNc2ccc(Br)cc2C#N)CC1 2162416572 VHMKBAGIYFKPCE-UHFFFAOYSA-N 438.366 4.585 30 10 IJEE C#CCC1(C(=O)N(CCCNC(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 2173473642 NJXVNEAHXLCYOI-UHFFFAOYSA-N 435.362 4.500 30 10 IJEE CCC[C@]1(C(=O)Nc2cc(Br)ccc2C#N)CCCN1C(=O)OC(C)(C)C 2181136566 ISLAMGPVJHYKRT-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE Cc1sc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c(C)c1Br 2234513314 PKDMPLSPGSZZJY-UHFFFAOYSA-N 436.180 4.679 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@@H](N)C#Cc1ccccc1Br)C2 2235724924 WGSMJNADRKEERZ-IBGZPJMESA-N 433.390 4.555 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)[C@H](NC(=O)OC(C)(C)C)C(C)C 2251935734 PICGQIUOQFPXTF-ZJSXRUAMSA-N 435.561 4.559 30 10 IJEE CC1(C)OB(c2ccnc(NCc3cc(Cl)ccc3Br)c2F)OC1(C)C 2280756665 JOPIVMXKJBLWBQ-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE C=CCC1(COc2ncc(N)c(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2287753374 RGOBSZQQSTVAOY-UHFFFAOYSA-N 440.382 4.707 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)o1 2295979454 XWFXLLCVDOFSJT-JOCHJYFZSA-N 430.504 4.902 30 10 IJEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1 2296110655 UJTLHHGZQRSTDU-DEOSSOPVSA-N 440.499 4.577 30 10 IJEE CCC1CCC(NC(=O)OC(C)(C)C)([C@H](N)C#Cc2ccc(Br)cc2)CC1 2296298304 IVPGDWAWKBFIIF-COFLGROHSA-N 435.406 4.992 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2296298944 PJQOGMHWVJFTDL-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1cccc(Cl)c1Cl 2313601823 ZABMPLCAIJYOGB-UHFFFAOYSA-N 447.351 4.953 30 10 IJEE COc1ccc(C=C2Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)c(OC)c1 2324077585 KGXRTPBBVVOJFP-UHFFFAOYSA-N 445.515 4.966 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)cc2)c(OCC)c1 2324478411 ZIBOPUZELCPBJW-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326810225 XHOBJHIJZDZRAQ-UHFFFAOYSA-N 438.296 4.682 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330624009 DDICRLDNYZXJIF-JOCHJYFZSA-N 429.561 4.856 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccccc1OC 2331325099 JQORWAAXXLILTP-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(F)c2)c1C 2331364390 AWNWIGDVTCAGQN-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331460088 KQYRZWSZVGAKGI-UHFFFAOYSA-N 445.443 4.989 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)N(CC)CC)nnc2C2CC2)cc1 2331716772 LSDUKTRBAWISSJ-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cc(Br)cc(OC2CC2)c1 2337408901 PIQWTQSMGRFODE-ROUUACIJSA-N 426.351 4.883 30 10 IJEE C=CCCC1([C@H](O)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2339204680 KGHBGNFQRAJWCX-QGZVFWFLSA-N 426.351 4.694 30 10 IJEE CC(C)(C)OC(=O)NC1CC(CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339584693 FDHBVOLDDPPSKC-ZRDIBKRKSA-N 444.381 4.798 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(NC1CC1)[C@@H]1CC12CCC2)Cc1ccccc1 2345020329 BTQXSSMUQDLSHK-PXJZQJOASA-N 442.651 4.825 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2cc(Br)cc(F)c2F)n1 2362179990 LRNHHXFJUSBYMA-UHFFFAOYSA-N 426.066 4.522 30 10 IJEE Cc1cc(Br)c(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)cc1Cl 2371994664 ZEOIAYHJQAJIHU-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc([N+](=O)[O-])c1 11762969 AHEZZXYWPAPCHD-UHFFFAOYSA-N 445.504 4.923 30 10 IJEE Cc1cc(Br)cc2c1N(CCOc1cccc3ccccc13)C(=O)/C2=N\O 39854038 ORWBRNAPQIBWJS-NMWGTECJSA-N 425.282 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95084752 DIEMFPJAUYSTTN-HXUWFJFHSA-N 431.540 4.768 30 10 IJEE Cc1sc2[nH]c(=O)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1ccc(Cl)c(Cl)c1 96535990 HNLDZACPGLFERN-UHFFFAOYSA-N 442.327 4.954 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 103103806 YHLUVWYEUKHOCN-VFJWVMJUSA-N 444.443 4.538 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 165442855 AQTPFVQXADMOFQ-GXDHUFHOSA-N 431.488 4.926 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OC(=O)c3ccco3)c2)NC(=S)N1C 169934935 YUGXZXLLFBCXLA-NRFANRHFSA-N 432.501 4.517 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)s1 169960345 IMVCKAUGTVQIOA-HXUWFJFHSA-N 434.517 4.865 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2cccs2)cc1 169989126 UHJDYZJKRKRKSE-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccc(O)c2)c1 170083486 DIMNLYMQKQIICG-JOCHJYFZSA-N 439.471 4.668 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(C)o2)cc1C 170103365 MLTRUJVGJQOATC-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170118873 LJEQCQUMJWNNMX-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2cccs2)c1 170154095 YDOZNPLTYOTMKI-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3cccs3)ccc2O1 170157477 JKQCLUJPVBVZMU-LRTDBIEQSA-N 433.485 4.560 30 10 IJEE CCOc1ccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)cs3)=C2N)cc1OCC 170180012 YCEMETIRCHMSNO-UHFFFAOYSA-N 435.549 4.633 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC)c1 170217074 GNUVQXCQPSBHGB-DEOSSOPVSA-N 449.547 4.579 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1 170231098 UEGSDZZYBXWALJ-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccccc1C 170275843 LJXHKOFRSHHGMR-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)o1 170307928 OJESQHDKWPOUKJ-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)ccc2O)cc1 170454226 XWOVCRLLXXVPIB-HSZRJFAPSA-N 446.503 4.923 30 10 IJEE COC(=O)C(=NNc1ccccc1C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 254395265 MMZACXVISZTUBR-UHFFFAOYSA-N 443.532 4.933 30 10 IJEE CCOC(=O)[C@@]1(C)C(=NNc2ccccc2)C(=Nc2ccccc2)C(=O)N1c1ccccc1 254761575 GFTJGGHFCYGVKW-AREMUKBSSA-N 440.503 4.596 30 10 IJEE CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccccc2SCCC#N)o1 442116449 RBFGNYDVCQJYCE-QFBILLFUSA-N 425.554 4.786 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464239024 XOMKDEWGVMCJRR-QMHKHESXSA-N 443.544 4.704 30 10 IJEE Cc1nc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1C#N 469757254 LGEDHCDLXIXTAJ-KRWDZBQOSA-N 443.347 4.513 30 10 IJEE C=CCN(C(=O)CN(C)Cc1cnccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 471175722 GBLCJOQWNCFUQF-UHFFFAOYSA-N 448.379 4.558 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 483856601 SUIGPIHOXKFUJB-QHCPKHFHSA-N 429.476 4.662 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2nccn2C)cc1 517474313 ZZJOONWXGIONSP-KKSFZXQISA-N 435.553 4.592 30 10 IJEE COc1ccccc1Oc1ccc(NC(=O)c2cc(C#N)c(SC)nc2O)cc1F 520974713 FCEUVDHJTZRJEF-UHFFFAOYSA-N 425.441 4.573 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)o2)cc1OC 526606463 ZZMXTFLEXFRCMP-HSZRJFAPSA-N 430.460 4.924 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC)c(O)c1 526816681 BPGYQICXVBWQBB-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE CCOc1ccc(/C=N\n2cnnc2SCc2c(F)cccc2Cl)cc1[N+](=O)[O-] 526817051 OADWUXAHFXYMAT-AFPJDJCSSA-N 435.868 4.552 30 10 IJEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526819593 YULNUMSXBCSWQM-UUYOSTAYSA-N 425.514 4.636 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(N(C)c2ccccc2)CC1 549675822 SGRZVJSFCOPSNS-UHFFFAOYSA-N 447.583 4.644 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 555255495 GWOWVKXUDZYIOJ-JPYJTQIMSA-N 434.540 4.505 30 10 IJEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 565332447 QMQHTRMBALGCGH-LJQANCHMSA-N 442.489 4.876 30 10 IJEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1 580457629 CVHYZLVKQVOVMH-UHFFFAOYSA-N 430.478 4.658 30 10 IJEE Cc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1C 586300434 CRIROEHZADAFOK-UHFFFAOYSA-N 448.544 4.998 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1OC 609644055 HYLZMDMLRHBDHD-GOSISDBHSA-N 430.504 4.515 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CC[C@H](O)C(C)(C)O)C[C@H](O)C[C@H]1O 669678955 WFZKUWGUJVKMHC-NNXMLAGASA-N 432.645 4.676 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]1C 698488392 XYBNQWPLUYEWLJ-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE CC(C)(C)OC(=O)N(C1CC1)[C@H](C#N)c1ncc(Br)cc1Br 698848928 CVPVWILSOUUAOC-GFCCVEGCSA-N 431.128 4.571 30 10 IJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702472612 UPSKJTLMOLMMBA-XZOQPEGZSA-N 429.649 4.820 30 10 IJEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)c(F)c1 729884708 NDFOKBHVKKWRKO-UHFFFAOYSA-N 442.277 4.926 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(C2CC2)C(=S)N[C@@H]1c1cccc(OCC#N)c1 731432701 KXUFOLOKLIMPFW-OAQYLSRUSA-N 437.952 4.636 30 10 IJEE CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2oc3ccccc3c2C)C1=O 734295322 DTSDQEVMDVLIOX-ODZCJOBESA-N 441.578 4.500 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)OCc2cc(Cl)ccc2OCC#N)cc1 735329186 HYQWERRAKMRLIZ-UHFFFAOYSA-N 430.888 4.875 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 789116528 IWBMRFQNXZHRJX-CLJLJLNGSA-N 426.564 4.909 30 10 IJEE C#C[C@@H](C(C)C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 798359534 MORFFHBGGHYJLE-VQTJNVASSA-N 441.503 4.583 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Cl)c(Cl)cc1OC 1124606650 AMTONTMNASDEPF-UHFFFAOYSA-N 425.264 4.745 30 10 IJEE C=CCn1cc(C(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)nn1 1124625180 BBCVFOWSRVNXHZ-UHFFFAOYSA-N 426.524 4.867 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(-c2ccccc2F)n1 1125737261 ZRHKZGNBNHDDBJ-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3F)C2=O)cc1 1127911286 BOQDHLKKJPJYDN-HSZRJFAPSA-N 447.897 4.943 30 10 IJEE C#CCSc1ccc(COC(=O)CSc2nnc(-c3ccco3)n2CC(=C)C)cc1 1128035233 NVHIBVFPORYSAI-UHFFFAOYSA-N 439.562 4.675 30 10 IJEE CC(C)S(=O)(=O)c1ccccc1C(=O)OCc1ccccc1Oc1ccccc1C#N 1128978090 DZMQEPTXYTVWEA-UHFFFAOYSA-N 435.501 4.890 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)c1ccc(Cl)cc1 1129601885 CQMDOZXOJIOHNC-GOSISDBHSA-N 443.931 4.547 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1130302705 HJDJPNHUQUVFMC-HRAATJIYSA-N 430.317 4.970 30 10 IJEE CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 1131437438 AVCYZODBFJYHAN-UHFFFAOYSA-N 446.507 4.876 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)C(C)C 1138583144 XQJMAAHPQOBCMK-DNQXCXABSA-N 431.536 4.524 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)OCC 1140929506 JYFPMNITMLDIIF-LJQANCHMSA-N 449.334 4.873 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](CC)c2ccccc2)CC1 1148143282 WLTBIGINEMIQAH-YADHBBJMSA-N 429.605 4.532 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCSCc2ccnc(Cl)c2)s1 1152225828 CLOYEPIELVFFJS-UHFFFAOYSA-N 448.466 4.937 30 10 IJEE CC(C)(CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)Oc1cc(F)cc(F)c1 1202433853 BGTZOCTYGVCBIX-UHFFFAOYSA-N 445.857 4.655 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 1205215449 CTFJNBXOWXBFQQ-CVEARBPZSA-N 436.375 4.660 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)c1 1209117454 MKIUDRWUHJAGBG-IEBWSBKVSA-N 443.512 4.566 30 10 IJEE CCN(CC)[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1 1214628726 AWODZICYRIOCRK-HSZRJFAPSA-N 429.524 4.950 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1ccc(Br)cc1 1230499437 WHPUQXMMGMNNMH-OAQYLSRUSA-N 445.332 4.653 30 10 IJEE C#CCCCCC(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1264110980 STIVUXNSKPADIG-MBSDFSHPSA-N 447.984 4.827 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(Cl)s1 1286283129 VBUCBMXKDHNFJY-JTQLQIEISA-N 441.807 4.990 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCCC2)CC1 1286341639 HKWIYZLYMKVHIZ-JOCHJYFZSA-N 435.616 4.513 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CCOC)CCCCC1 1286368700 XYZAWUFOJQCLMD-UHFFFAOYSA-N 430.980 4.664 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1c[nH]nc1C 1286439250 SVBGFGYSAUZKDH-UHFFFAOYSA-N 448.571 4.937 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)CC[C@@H]1C 1286510157 KKAVGUKRRBVTNY-MSOLQXFVSA-N 430.643 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN(CC)C1CC1 1286527754 QMSMZRAPPDBHBI-HHHXNRCGSA-N 449.643 4.631 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1286550146 YQQBSWPOUJTGML-IAGOWNOFSA-N 437.382 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC12CCOCC2 1286568210 QVNIJOKGVFSPDJ-OALUTQOASA-N 428.552 4.776 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(=O)NC(C)(C)C)CC1 1286637403 DAGZHUCKTFIAGK-KRWDZBQOSA-N 445.995 4.533 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1286678723 CNVZFHYSHCZRRZ-NHCUHLMSSA-N 426.630 4.864 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1nc(C)c(C)s1 1286715399 YLKHKWGBQUGCRP-GOSISDBHSA-N 425.602 4.973 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc(C(C)(C)C)n1 1286729639 YYCJUAASNYKANM-QZTJIDSGSA-N 431.650 4.816 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCCO[C@@H](C)C1)C(C)C 1286750593 DNCUVHFUVBIZKW-UPVQGACJSA-N 437.632 4.567 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1C(C)C 1286757191 IAIGSDRHTZWQLE-VQTJNVASSA-N 429.609 4.788 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)c1nc(C)cs1 1286758411 MNUWXPRNAQJMPC-JXFKEZNVSA-N 437.569 4.538 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCC1 1286763717 QWCPYNMHUNOPHB-UHFFFAOYSA-N 434.584 4.986 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2CCCCO2)C1 1286803871 HUOFTTMJWKGDKE-RBUKOAKNSA-N 430.980 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2c(F)cccc2OC(F)F)C1 1286807732 GDKAYOKFMIPCJQ-INIZCTEOSA-N 436.478 4.506 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)S[C@H](C)C1 1286829121 DIDWWPIQSLIOGH-CALCHBBNSA-N 425.627 4.743 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1290090324 KPEVVVPSFKFRRX-UHFFFAOYSA-N 426.582 4.844 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CCSCC2)cc1C 1292325819 YXHKPTLPCQLOAB-OAQYLSRUSA-N 447.645 4.732 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 1295408966 PTUAHCMYBBSLAF-QUCCMNQESA-N 440.588 4.827 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 1296528515 AAXKIYTUXVRVAQ-BLLLJJGKSA-N 434.886 4.961 30 10 IJEE C#C[C@@](C)(CC)NC(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1298085746 IZFBKCXWAMXAOE-IGKIAQTJSA-N 432.564 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1300283453 UQWBBUFFUCCYDX-INIZCTEOSA-N 431.471 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nc(C)c(C)s1 1300284150 PRDJZMQIFDOBLH-KBPBESRZSA-N 425.627 4.711 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)CC1 1300393473 FFFYXTNLFNCITI-RUZDIDTESA-N 440.588 4.551 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)C(C)C 1300563253 GNJDCTWZFBDETM-UHFFFAOYSA-N 427.390 4.853 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CCCCC1 1300743489 RWNDEYLXEMTZKN-UHFFFAOYSA-N 434.556 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@@H]1C(C)C 1300786422 GLLKTKPUWVRZJU-DKYNXLSCSA-N 440.563 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H](C)N1CCC(C)CC1 1300813256 FDJBOMVYSOACHZ-WNCULLNHSA-N 433.644 4.566 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(F)(F)F)C1 1301618762 XXNXDOIWVOVKNG-SFHVURJKSA-N 449.546 4.979 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@H]1C 1303908352 BVZQENPUYIMFDJ-VLMPBXDWSA-N 431.943 4.950 30 10 IJEE C[C@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1cccc(Br)c1C#N 1309072621 HCSWGFHBMAPWIH-GFCCVEGCSA-N 439.762 4.888 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C 1310862760 VBIVDWXCJOABMH-QRWLVFNGSA-N 432.362 4.827 30 10 IJEE CC(C)(CC#N)CNC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1311358287 AORZXCUUZVPNPR-IBGZPJMESA-N 431.005 4.740 30 10 IJEE C=CC[C@H]1N(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1(C)C 1311548430 NOFTZXLHGBUGMU-QGZVFWFLSA-N 428.455 4.802 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](COC)Cc1ccccc1 1312176276 QJJULOPQOBNXOO-IBGZPJMESA-N 435.337 4.544 30 10 IJEE N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCS2)CC1 1316535092 DLUGCALHUZYSHC-GOSISDBHSA-N 434.034 4.859 30 10 IJEE CC1(C(=O)Nc2ccc(Br)c(O)c2)CCN(c2ccc(Cl)cc2C#N)CC1 1324350210 LFEOTRKQRYTRLO-UHFFFAOYSA-N 448.748 4.925 30 10 IJEE C=CCN(C(=O)c1cscc1Cl)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1349333820 YEQJPBOMUCGHGU-UHFFFAOYSA-N 438.983 4.761 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 1356044435 VCPBGHBTLDCOFC-UHFFFAOYSA-N 428.517 4.769 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CSCN1C(=O)CCCC)c1ccc(C(F)(F)F)cc1 1357299031 YLYIHGNPPUKPFG-ZWKOTPCHSA-N 428.520 4.921 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC=C)Cc1cccc(C#N)c1 1358908299 SCWPUTBLHZLRLS-UHFFFAOYSA-N 430.943 4.861 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(OC)CC1 1358923085 BFNZWIFJVNIWBP-IBGZPJMESA-N 437.407 4.578 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1358934552 FRDYPEGQXXAVHO-DHIUTWEWSA-N 436.600 4.530 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1358934922 QRQHJDRCNDMLGP-QUCCMNQESA-N 449.382 4.725 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[C@@H]1CCCCO1 1358973166 ICEYYPNJRPWOLP-NRFANRHFSA-N 448.567 4.845 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CCCS1 1359003709 VAYLXTQSAKYECI-KRWDZBQOSA-N 425.421 4.514 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359052183 XBMPQBOPZPEWQF-IAGOWNOFSA-N 445.430 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OCC=C 1359074772 QWALXJGZKQWNKK-WHCXKFMVSA-N 448.611 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCOC(C)(C)C 1359096192 XWVWHTIWGSLDKB-REWPJTCUSA-N 449.599 4.726 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCC1(C)C 1359276220 VXVHVYMJPDSXNV-LJQANCHMSA-N 448.571 4.580 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCCN(C)C(=O)OC(C)(C)C 1359276313 YLLTUHKFAFSAAR-UHFFFAOYSA-N 445.608 4.661 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359343808 BYRHZYZRDAYRDU-IBGZPJMESA-N 435.037 4.693 30 10 IJEE CC(C)COc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1360053699 DFEKYQOTHMPMBZ-HSZRJFAPSA-N 437.588 4.733 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 1445026884 GRJVIMLKGMPZLF-UHFFFAOYSA-N 437.854 4.740 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1449419350 AOZFTHZBTOYOMC-QFIPXVFZSA-N 441.531 4.758 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1OC 1449536703 DFBXJDHGBYDBTN-IOOHMRRSSA-N 436.335 4.604 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccc(F)cc1 1450076953 FHXQYYKSVUTRPX-OAQYLSRUSA-N 436.280 4.924 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2CC3(CCC3)C2)ccc1Cl 1452761204 WXWXDYSEIUDKDQ-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C=CCc1cc(C(=O)N2CCc3cc(F)c(Br)cc3C2)cc(OC)c1OC 1463006472 PBFBUXXQQKQFKF-UHFFFAOYSA-N 434.305 4.532 30 10 IJEE C#CC[C@@]1(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1464476861 NAUWAMOFLMLHNX-YWEHKCAJSA-N 444.575 4.954 30 10 IJEE N#Cc1nc(NC(=O)NCc2ccccc2Oc2cccc(F)c2)ccc1Br 1467109541 CZLDBIGKQLZLIH-UHFFFAOYSA-N 441.260 4.969 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)NC1CCCCC1)C(C)C 1473008948 NAQPOPKRRFKMAL-QFIPXVFZSA-N 442.629 4.917 30 10 IJEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccccn2)c1)[C@H]1CCCc2ccccc21 1477541858 LCYZWDMQGJVNIN-VWLOTQADSA-N 438.531 4.556 30 10 IJEE C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)N1CCCN(c2ccccc2C#N)CC1 1477569584 IDZDNNGBFGKERZ-HXUWFJFHSA-N 434.584 4.545 30 10 IJEE C#CCC1(O)CCN(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 1478031939 OIHUPGHROPUBSX-UHFFFAOYSA-N 432.442 4.558 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1507537360 UVGKXAGAMJNLEO-JKSUJKDBSA-N 440.016 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](CC)N1CCCC1 1507540808 DBHWIMZFXLBCBY-FCHUYYIVSA-N 437.632 4.621 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507680231 AJPVTDLXJARTEL-HRCADAONSA-N 431.353 4.742 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCc1nc(C(F)(F)F)cs1 1507700087 NEPLDAHOJXKWOG-UHFFFAOYSA-N 449.477 4.652 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@H](c1cccnc1)C(C)C 1507703378 VEDLHUHPYZGWDJ-DEOSSOPVSA-N 431.559 4.844 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CCC(OC)CC1 1507765289 REBPGZJMIHZDPM-RFPWRWETSA-N 440.563 4.755 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1507784041 HPMPRIQUKNGZLC-INIZCTEOSA-N 443.748 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507821482 DHSCNBQEYWPTKU-FGZHOGPDSA-N 425.621 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1507923375 SJZURPGQCVYXFU-KRWDZBQOSA-N 436.526 4.890 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507977162 XAYWWRITQWQERS-SFHVURJKSA-N 433.984 4.770 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1Cc1ccc(C)nc1 1507995761 CSYFGVCYCGYWCT-UHFFFAOYSA-N 431.584 4.964 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1Cc1ccc(-n2ccnc2C)nc1 1508006343 PCYWLLKZXRHEPN-GOSISDBHSA-N 447.612 4.983 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(SC)CCOCC1 1508009958 GYMFGVFQMKHKQX-UHFFFAOYSA-N 438.641 4.839 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1508010581 ALUDKDQTFKJAFE-UHFFFAOYSA-N 445.633 4.788 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1508021349 RSLMYVFMCHJDFD-VWNXMTODSA-N 435.641 4.966 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCO[C@@H](C)C1 1508028863 WERYADRDZMJYEL-SFTDATJTSA-N 445.567 4.850 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(N2CCCCC2)c1 1509281232 DWOCDOZEYKHORB-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1514664771 BHQUNBHPQZBNSY-WAOWUJCRSA-N 442.346 4.988 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1)C1CCCC1 1516104403 CJUIODIGKHOZHI-QHCPKHFHSA-N 432.572 4.542 30 10 IJEE C=CCN(C(=O)/C=C\c1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1522165355 HDNWNAMAQPKLTR-NALLFNBYSA-N 431.454 4.908 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](CC)C2CC2)ccc1Cl 1529133948 YLIXBQOLIAOEHM-HXUWFJFHSA-N 432.973 4.640 30 10 IJEE CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1533294854 BVRVYNSRWNWQTD-CQSZACIVSA-N 436.726 4.530 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1csc(I)c1Br 1534588717 PFQVUMJWXQZCDP-UHFFFAOYSA-N 442.160 4.837 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1535483302 IAWZQKCXXPFOPS-QZTJIDSGSA-N 437.378 4.569 30 10 IJEE C=CCCC[C@H](C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1537636070 ZRKGNKKSKAUWAX-YPHDTHBOSA-N 427.585 4.912 30 10 IJEE C#CCN(C(=O)c1ncc(Cl)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1538199673 XFRPJMSQRFRSCZ-HNNXBMFYSA-N 440.124 4.750 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ncc(CC)s1 1538985237 YSGFKJAAYKNVFD-HOTGVXAUSA-N 439.654 4.851 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCC(F)(F)C1 1539026458 VDFWEBSRXGYFAB-RTBURBONSA-N 425.527 4.955 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1ccccc1 1539187123 UCZCFEKQDUXLOJ-HHHXNRCGSA-N 444.354 4.797 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)[C@H](C)C1CCC1 1539491399 PGOOTHFOEAIYAT-LJQANCHMSA-N 439.629 4.529 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)OC1CCCC1 1539496500 GUUDEMJYSWQMRG-LJQANCHMSA-N 428.602 4.712 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cccs1 1539497821 PGSWPIXIVRWZEQ-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC(C)(C)COCC 1539569272 NFLCWAIWXFTZPF-XMMPIXPASA-N 442.629 4.634 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1539603460 QGQGNPFUUDJSGS-RDJZCZTQSA-N 436.423 4.701 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(CC1CC1)C1CCC1 1539607362 DEZOEDQISHUKPL-UHFFFAOYSA-N 435.341 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCCC1(C)C 1539659090 IPFWIOMZGVOAEU-QHCPKHFHSA-N 432.996 4.951 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1539722198 BIMGABQSJPXFEM-DENIHFKCSA-N 442.604 4.817 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)c2nccs2)CC1 1539790170 DQYKWASRVMCVJZ-OAHLLOKOSA-N 449.411 4.691 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCc2ccncc2)CC1 1539882302 VZMKZHWCEKWBNL-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1539908860 CURKPLNRVJJBQD-PMACEKPBSA-N 440.588 4.711 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@H](C)[C@H]1C)c1ccccc1 1539949514 YTEUPYIJFTYUGK-TXTKFYIRSA-N 433.625 4.954 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1540076773 AHYMAMKXYDJPHN-UHFFFAOYSA-N 445.995 4.544 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1540116536 VSXBCDDUWJQEAD-LPHOPBHVSA-N 433.021 4.930 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1 1540122496 VRCUKESTEWKDAS-LEWJYISDSA-N 442.567 4.610 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1Cc1nccn1C(F)F 1540185033 KESUCDQFSGFJMO-UHFFFAOYSA-N 442.445 4.552 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1Cc1ccc(Cl)nc1 1540186994 KPHLTSVIXSSPJR-UHFFFAOYSA-N 425.964 4.936 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2C[C@H](C)S[C@@H](C)C2)cc1 1540877871 ILNKIZOOGJIRIK-OALUTQOASA-N 435.597 4.592 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(F)(F)F)c2)C1 1540886382 BXPMQKDIASUKOB-GOSISDBHSA-N 432.446 4.695 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccsc1 1552853042 BKQYUJAKUGMZSI-OAQYLSRUSA-N 434.613 4.808 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 1558054051 NWPJWMIRGPASNG-DHIUTWEWSA-N 443.632 4.749 30 10 IJEE C=CCn1c(S[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nc2sccc2c1=O 1559333348 OEIYIPOFHQVTPW-IBGZPJMESA-N 439.606 4.888 30 10 IJEE CCN(CC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1)C[C@@H](C)C#N 1559507858 AEEVYBJJKLYDQN-FQEVSTJZSA-N 441.579 4.838 30 10 IJEE C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 1560021302 GZAHLQXZENUNGN-AUUYWEPGSA-N 430.371 4.514 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc(OC)c1OC 1562693545 VOOHUDFCOJFTSG-UHFFFAOYSA-N 442.409 4.834 30 10 IJEE N#Cc1ccc(NC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1F 1562909005 GWLGQLQRDQCLJO-UHFFFAOYSA-N 428.265 4.543 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1564083041 IUBRTYWODFTJMN-AHRSYUTCSA-N 437.531 4.965 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)c1ccc(-c2cccc(C#N)c2)cc1 1584715932 CKUWANUHRSLLAV-CMJOXMDJSA-N 431.442 4.874 30 10 IJEE C=C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)C[C@H](C)C2 1585421803 NPCBMTKXHYTTKU-CGRMDZLBSA-N 428.532 4.643 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)nnc1-c1ccc(Cl)cc1 1585715098 NGXRBQPTPCVQEG-RTBURBONSA-N 449.020 4.587 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1587861270 IZYQZULLCFYWOG-LJQANCHMSA-N 445.405 4.621 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC2(CCC2)C[C@@H]1CC 1589116049 CBTNUORNHXELHH-NRFANRHFSA-N 438.641 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1589186250 VFXXLFULVJIHED-FQRUVTKNSA-N 449.599 4.584 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CCC(F)(F)F 1589559635 TXFBIYBRGXRXCL-PZJWPPBQSA-N 436.522 4.823 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCC(F)(F)CC2)CC1 1594192032 CLOQHIHDKHFZFB-QFIPXVFZSA-N 438.563 4.547 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(COC)CCC2)CC1 1594431050 UBZZLMLRZVIZAR-UHFFFAOYSA-N 430.980 4.730 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 1594544649 LUSWFSQCOMFIJZ-HSZRJFAPSA-N 435.616 4.599 30 10 IJEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1594560230 ZNVKHFFSFFJFBR-UHFFFAOYSA-N 435.616 4.737 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCN1CCCCCC1)C1CC1 1595043705 BKSJQAUUNLWVJY-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1595058120 BDQXFXXQMPAOEP-IEBWSBKVSA-N 431.625 4.667 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1595108575 CXDWNOLRZNWHRP-OALUTQOASA-N 449.521 4.903 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1nncn1-c1ccccc1 1595161828 MRMYLMUFQFDXTB-UHFFFAOYSA-N 447.612 4.750 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@H]3CCCCN3c3ccccc32)CCCN1C(=O)OC(C)(C)C 1595890831 DMHVCYULJORAQY-KBMIEXCESA-N 425.573 4.738 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1595896091 UUDYRRMPNOSWEC-NRFANRHFSA-N 441.670 4.847 30 10 IJEE CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2)c1 1596041028 BGTVOWMCBZATMU-VWLOTQADSA-N 431.492 4.528 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(OC(C)(C)C)nc2)o1 1612034496 CVJXGYKLOMHSHH-XMMPIXPASA-N 434.544 4.597 30 10 IJEE COc1ccc([C@@H](C)CCn2c(Cc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1619154167 BMSQOUHNLNKDDB-RXFWQSSRSA-N 444.583 4.596 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccc(Cl)cc1F 1623603475 BXQDUOYHMMYMRF-KRWDZBQOSA-N 425.895 4.853 30 10 IJEE C=CCN1CCC(NC(=O)c2cn(CCOc3ccccc3Cl)c3ccccc23)CC1 1628374855 AZXBWIXYRGMLGA-UHFFFAOYSA-N 437.971 4.754 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br 1635242994 GXVMLIKXENNECH-RYQLBKOJSA-N 437.378 4.671 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O)c1ccccc1 1638029678 OTSCMSDSCZYNDA-VJBMBRPKSA-N 428.598 4.866 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(Br)ncc1Br 1638664257 HNHSLTKFMPMQMH-UHFFFAOYSA-N 440.135 4.757 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2c(C)[nH]c3ccc(F)cc23)CCCN1C(=O)OC(C)(C)C 1642319462 SRDNFXATAHILSG-DEOSSOPVSA-N 429.536 4.620 30 10 IJEE C#CCN(C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H]1CCc2ccccc21 1644410554 CBFIKHPWSJVDLJ-RRPNLBNLSA-N 444.600 4.637 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCCC[C@H]3CC(=O)OC(C)(C)C)c2C#N)C1 1646781103 GWBMCTLCJQMLEU-SJORKVTESA-N 445.629 4.659 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)cc1 1647857216 QKZJGVBXLHCEPD-UHFFFAOYSA-N 431.511 4.796 30 10 IJEE COC(=O)c1ccc2[nH]cc(C(=O)CSc3nc(-c4ccccc4)ccc3C#N)c2c1 1652658011 DWRJALVQYBSIOJ-UHFFFAOYSA-N 427.485 4.863 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H](C)CCCCNC(=O)OC(C)(C)C 1656345815 ZVTGAHWDCZCQCB-INIZCTEOSA-N 439.394 4.634 30 10 IJEE N#CCCn1cc(CNCC(F)(F)c2ccc(Br)cc2)c(-c2ccncc2)n1 1656678458 GTFWWBDDVUEQQS-UHFFFAOYSA-N 446.299 4.503 30 10 IJEE CCCc1c(NC(=O)N(Cc2ccccc2)[C@H](CC)CO)cnn1-c1cccc(C#N)c1 1660854065 DEBZMFJKQDKLSA-OAQYLSRUSA-N 431.540 4.501 30 10 IJEE CN(C[C@@H](O)c1cccc(Br)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1668913138 AVHRAYMYGMMRJV-MRXNPFEDSA-N 442.235 4.537 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](CCc2ccccc2)C1 1672708851 UODGNBLIJBDKFO-LJQANCHMSA-N 445.357 4.879 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)c1 1674975332 GVDWVCHLUMCQOP-UHFFFAOYSA-N 432.337 4.971 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1675286113 AIPGMWMTUDZTGO-DEOSSOPVSA-N 430.939 4.833 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1)c1ccc(Br)cc1 1682356690 LPHQBKXTFMHVEH-LJQANCHMSA-N 449.389 4.667 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@](C)(CC)C1 1689879815 IEBFUZLCNOUXCD-JOCHJYFZSA-N 445.405 4.825 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1689895066 IBBZINDJLFFHOI-FGZHOGPDSA-N 441.019 4.969 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccccc1 1690159926 QYPVDKLOBYLZBU-HNNXBMFYSA-N 444.402 4.600 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(Cc1ccc(F)cc1F)C1CC1 1690228751 FCCFYXDDRNPHQS-UHFFFAOYSA-N 425.321 4.832 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1690384191 ILRCPFYUMDWOEU-YPAWHYETSA-N 443.680 4.864 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(F)(F)CO1 1690449435 GTXRMHSDYJWSTB-GUDVDZBRSA-N 440.579 4.804 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C#N)CC1 1690500242 PBEJTXGUUXLZIK-UHFFFAOYSA-N 425.602 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1690561233 IHKFKPMIQJSMMC-SMIHKQSGSA-N 449.599 4.645 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@@H](C)C2)C1 1690706252 HAAHGTVHTVTHBK-RCZSKKKRSA-N 445.007 4.509 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)cn1 1692478946 FXDFYSLFVIFERE-UHFFFAOYSA-N 432.528 4.876 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(COCC(F)(F)F)cc1 1705499794 YXNFCZVLTOIEIK-KRWDZBQOSA-N 434.506 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1(OC)CCC(C)CC1 1705505085 HATDTECCPQUSRU-SZTYLXMGSA-N 442.629 4.632 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1C 1705666046 MCYMRLCATPSCQC-AWEZNQCLSA-N 425.385 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC[C@H]1C 1705712607 ACBOERPZUBQSGI-HUUCEWRRSA-N 439.423 4.844 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1705726157 UTYHYJXOUZUUKV-AZUAARDMSA-N 444.023 4.620 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2sccc2C1 1705739256 AACQUJLTFQCIRD-UHFFFAOYSA-N 444.988 4.727 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](OC)[C@@H](C)CC)CC1 1705766405 ZFHBNRCTLGXODG-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](N2CCCC2)C1 1705809302 NIZOUPFTOITFJC-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705816105 UXQBJXALWIXHHP-UHFFFAOYSA-N 435.547 4.996 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)[C@H](C)CC 1705870429 IIHHKXOAECCBAM-IERDGZPVSA-N 433.394 4.683 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnn(C)c1 1705870804 YMINYOJXVRNSOA-SFHVURJKSA-N 440.979 4.649 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1705892195 KESLLDUKPJUGST-HXUWFJFHSA-N 437.613 4.605 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705892244 PFMBJLPHTRYIRB-IPELMVKDSA-N 431.378 4.821 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCSC1 1706079251 HHAPZSYMJPFYMF-RBUKOAKNSA-N 441.645 4.894 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1sccc1Br 1706135727 ALWLXJZGDGRBIE-IBGZPJMESA-N 436.423 4.869 30 10 IJEE Cc1ccc(SCc2nnc(N(CCC#N)CC3CC3)n2Cc2nc(C)cs2)cc1 1707563171 GBCSPSFGTNIEDK-UHFFFAOYSA-N 438.626 4.822 30 10 IJEE CCOC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)CCCC1 1710492757 GGAPHYBZNSMXSU-QZTJIDSGSA-N 429.540 4.645 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCC1(F)F 1722287892 SDPAKQQXRQNLSS-HUUCEWRRSA-N 437.332 4.991 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1cccs1 1722346096 MOTBBEDREKAYKZ-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](CC)C1 1722479328 CLAKYGYSLKVDRA-ZDUSSCGKSA-N 425.758 4.752 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Oc2ccccc2OC)CC1 1722578507 PFLCZYZZIGHUNP-IBGZPJMESA-N 433.556 4.527 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](F)COC)CC1 1722579380 OXDUAHRUYSQPNI-HXUWFJFHSA-N 430.568 4.676 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722579802 TWYZLBJXVIGUBB-WIOPSUGQSA-N 436.600 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722588251 NYVWRQJQCNWSSC-OAQYLSRUSA-N 435.547 4.663 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722596958 CHVGPNVTGRTIOM-FQEVSTJZSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1COC(C)(C)OC1 1722602243 UJWCYNZGWWOHNZ-UHFFFAOYSA-N 436.959 4.929 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1 1722673529 VKOBQQXCUCHFJJ-GOTSBHOMSA-N 444.627 4.696 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1722675727 SMLRKLXNBKQHGI-UHFFFAOYSA-N 432.616 4.611 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1722679412 ZOFDAFZIXYQUIZ-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1722682409 HPBUIAFAGJVJOH-IBGZPJMESA-N 442.361 4.962 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(c2cccs2)CC1 1722688163 PIBRAUKLLUUMOJ-UHFFFAOYSA-N 437.613 4.863 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1726420272 GHIVHSYLNMQPLT-INIZCTEOSA-N 436.535 4.547 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@@H]2C)CC(C)(C)C1 1726670584 GNSQULNTAPCOJV-SFTDATJTSA-N 434.632 4.954 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC=CCC1 1740754377 RWZXDZIBOGBPRM-WMLDXEAASA-N 435.391 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740763863 QRYGHVYFTVQJMT-VWPQPMDRSA-N 444.645 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC[C@@H]1CCOC1 1740768898 CMXPMTCUPYRISG-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 1740796646 FHSVKTPCCIFBOE-PBHICJAKSA-N 443.350 4.551 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C)CC1 1740882912 CFRGAALOGFUYBT-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@@H]1C(C)C 1740915912 XKCPOLVTWJLKJI-NZQKXSOJSA-N 435.572 4.536 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@H](SC)C(C)(C)C 1740916715 VYJHAOXTVWGWIP-SFTDATJTSA-N 439.629 4.624 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1740947546 JZJADNVDKMGIOS-PZJWPPBQSA-N 428.024 4.799 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCSC1 1740969228 VRUIMTZTYSXGJR-GOSISDBHSA-N 441.988 4.548 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CC2(c3ccccc3C)CCOCC2)C1 1740972930 OOCDIFSWYAPUEA-UNMCSNQZSA-N 438.616 4.630 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2nccs2)C1 1740975923 RFQOYEACEDUSCR-MRXNPFEDSA-N 447.967 4.608 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1741006472 JQRHZSGPMXAKDN-NHCUHLMSSA-N 428.602 4.789 30 10 IJEE CCOc1c(Cl)cc(Cn2c(C3CCCC3)nnc2N(C)[C@@H](C)CC#N)cc1OC 1746757297 BLVDERMXTZHORV-HNNXBMFYSA-N 431.968 4.783 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCC=CO1 1748950887 QXYUEGZLOHMNIO-MRXNPFEDSA-N 442.972 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCCC(C)(C)COC 1749072746 VOXULXYEINBUKR-AREMUKBSSA-N 433.600 4.795 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(C)cc2)nnc1N(CCC#N)CC1CC1 1749112104 BEFGYUHUEQLUEF-UHFFFAOYSA-N 446.418 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1nc(C2CC2)cs1 1749162574 QEGMLVVIIVGDOQ-UHFFFAOYSA-N 429.540 4.932 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1749294091 NMMDEODMMJMSCJ-UHFFFAOYSA-N 449.864 4.939 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749413449 VNLDODXOGIHYAJ-CMKODMSKSA-N 429.996 4.711 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749418143 YMXHOUDITJZHPP-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC=C(Br)C1 1749421206 NEJPLMMJUXGBEJ-UHFFFAOYSA-N 439.361 4.586 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1 1749532639 VDXQNOZQVDSHCQ-SFTDATJTSA-N 441.526 4.672 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H](c1ccccc1)N(C)C 1749551401 ZFEPAEBMLOIHNA-HSZRJFAPSA-N 444.608 4.897 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC1CC(F)(F)C1 1749690065 MMYMTIMTNHIQPE-FQEVSTJZSA-N 432.515 4.614 30 10 IJEE CC1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)C1 1751288685 FNUJLUPZQFNPJQ-UHFFFAOYSA-N 446.502 4.967 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCO[C@@H]1CCCC[C@H]1C 1760105882 IFKOBQVNTMMCPL-FUHIMQAGSA-N 430.980 4.660 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1CCC(F)(F)CC1 1760125586 RJNHEYGNEJRYEU-MRXNPFEDSA-N 434.556 4.862 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760151335 YNSRIDLFEGUPIJ-KRWDZBQOSA-N 438.963 4.902 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)Oc1cccc(F)c1 1760173017 HDCHUCDSAAOWAX-IAGOWNOFSA-N 438.572 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)C/C(C)=C/c1ccccc1 1760325047 NVHSPVOPBSTPEZ-CACRALIXSA-N 443.595 4.785 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1760356460 OBLAOLWGNHLAQP-HXUWFJFHSA-N 434.943 4.509 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C)cc2OCCOCC)CC1 1760385242 NUFJHDAMLDRFOE-UHFFFAOYSA-N 436.556 4.775 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1sc(C)nc1C 1760486154 FCBWIEOYUZSSSP-QGZVFWFLSA-N 429.615 4.548 30 10 IJEE CCO[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N)C1CCCC1 1765797403 BTJCEYSHGMUQJF-PSWRPDDJSA-N 445.652 4.920 30 10 IJEE Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)ON1C(=O)c2ccccc2C1=O 1772790221 LJJFHIZLEPFIID-UHFFFAOYSA-N 432.379 4.505 30 10 IJEE CC(C)c1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(Br)cc3)n2)cc1 1857807204 VQPMMVJTVSFQMN-KSEXSDGBSA-N 442.386 4.592 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc3cc[nH]c3c2)c1 1862491517 VQBCSTLRCPTSPH-QHCPKHFHSA-N 432.520 4.788 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(C)cc2)cc1 1862589546 NHUVSYGIEWTPNL-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2F)cc1 1862614440 ARWBCXCCONBVKD-PGRDOPGGSA-N 437.511 4.881 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCc2cccs2)c1 1862626119 VIZZDFSXDBTDSZ-QFIPXVFZSA-N 447.512 4.606 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1 1862662747 LUASGTIVVFNZFY-QHCPKHFHSA-N 438.543 4.869 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862663287 QOAJTVDOCWPHGH-QHCPKHFHSA-N 437.536 4.560 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862691290 JVEKPHCLBUNEFR-NRFANRHFSA-N 437.492 4.552 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862721426 FBTPPKMJZZXTGW-HOYKHHGWSA-N 427.500 4.621 30 10 IJEE Cc1cc(C)cc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862945108 XIQMWMJCRBFPOC-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccc(Br)cc2)C1=O 1863198735 MLOPUIMEWLCYBM-UHFFFAOYSA-N 425.326 4.951 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1863315068 BINNQUIDWINBDE-HNNXBMFYSA-N 429.426 4.790 30 10 IJEE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866780561 FWCOEIQGJDATQF-DHIUTWEWSA-N 429.495 4.753 30 10 IJEE CC[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867739977 HHNLMMQHOZZETE-HZPDHXFCSA-N 438.742 4.845 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3[C@H](C)COC[C@H]3C)n2)cc1 1868535525 QAIVCTUTBZIEHE-QZTJIDSGSA-N 429.524 4.771 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2)n(-c2cccc(Cl)c2)n1 1870002652 TWHTUYSPPBKJEK-UHFFFAOYSA-N 429.858 4.630 30 10 IJEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1CN1CCN(C(C)=O)CC1 1870436826 IAIPOODWGWEVIZ-UHFFFAOYSA-N 447.664 4.688 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1Cc1ccc(F)cc1 1870615270 SQIUYYJYVRJLGI-UHFFFAOYSA-N 436.502 4.928 30 10 IJEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1cc(Cl)cc(Cl)c1 1870847218 FVJLZPKXNXFQJY-UHFFFAOYSA-N 439.339 4.531 30 10 IJEE Cc1cc(O)c(CN2CCOc3ccccc32)c2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871395896 BBFZATBLVILASQ-IWIPYMOSSA-N 442.515 4.782 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871403868 BUNXZKPQAAZUBD-YOBACFSGSA-N 443.455 4.746 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)Nc1ccc2c(c1)OCO2 1871427997 CFKKHLRQOJPDRP-AFPJDJCSSA-N 449.846 4.702 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2C1=O 1871447688 BQIXTMLGKVWHRE-YOBACFSGSA-N 444.443 4.925 30 10 IJEE CCCCCCCCCCN=c1nc(N2C[C@H](C)O[C@@H](C)C2)[nH]c(=Nc2ccccc2)[nH]1 1871601851 QYWLBJDWEOONJM-SFTDATJTSA-N 440.636 4.625 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872080313 OMCLUQCMZALZOM-QHCPKHFHSA-N 428.598 4.788 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872229900 JRSIOSKDZDPMAS-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872410764 IDJRVHHJISKGHL-NRFANRHFSA-N 444.597 4.605 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2CC(C)C)cc1OCc1ccccc1Cl 1873502595 QSCOGKJJTIENIT-FSJBWODESA-N 430.961 4.889 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccnc1 1874207308 HMJCBGDXWUCKEV-WSDLNYQXSA-N 428.359 4.577 30 10 IJEE CCc1ccc(/C=N/n2c(COc3c(C)ccc(C)c3C)nnc2SCCCO)cc1 1874256178 XHFOSJKNQKFXOF-MFKUBSTISA-N 438.597 4.701 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)ccc1O 1874427844 DYCSBMNDNIMFDH-OEAKJJBVSA-N 431.477 4.733 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CC2)cc1 1874517061 QWVQCXDIHVBNBD-AFUMVMLFSA-N 433.581 4.948 30 10 IJEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874528262 ZIGALMVJHUCWSO-FSJBWODESA-N 446.960 4.694 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(Cl)c(Cl)c1 1874528439 KAYPACYUCXPAHD-LSFURLLWSA-N 438.315 4.645 30 10 IJEE Fc1cccc(Cl)c1COc1ccc(/C=N/n2c(S)nnc2[C@H]2CCCO2)cc1 1874560485 ZLZUVPOJBTULHU-TYLRVVQJSA-N 432.908 4.672 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OCC(=O)N(CC)CC 1874611356 JMDUHLVVXPIJBF-OUKQBFOZSA-N 445.943 4.891 30 10 IJEE CCCNC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 1874624290 VJDDKGXATODENM-KPKJPENVSA-N 425.525 4.628 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccncc1 1875151539 PGEGWIWFOCZCPR-FNORWQNLSA-N 443.455 4.663 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(OC)c2)c(OCC)c1 1875179726 XMVNNYOECJWWQH-UXBLZVDNSA-N 438.398 4.856 30 10 IJEE N#Cc1csc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951594065 ZEPKGRLGELCPPB-INIZCTEOSA-N 432.501 4.717 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2002711940 QUYKKWXFGJCSFG-DHLKQENFSA-N 434.621 4.526 30 10 IJEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022144401 JWEHNHJLGDPTEI-YCRPNKLZSA-N 436.557 4.852 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(Cl)cc(Cl)cc1Br 2024058406 ARGKKVPZVKBZDE-LBPRGKRZSA-N 436.133 4.611 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048504311 VDDXBEWTYNEKTK-SJORKVTESA-N 430.770 4.621 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2055774844 MCNVCRZLPNSGQU-ZMPRRUGASA-N 448.568 4.852 30 10 IJEE CCOc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080103705 ADXDRIMRMUUNLR-QGZVFWFLSA-N 447.320 4.809 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CNc1cc(Br)c(C#N)cc1F 2105998472 PKXTUGVPQVEBBT-WBMJQRKESA-N 426.330 4.955 30 10 IJEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1c1cc(Br)c(C#N)cc1F 2118192819 SUAJTNGABZWFBU-STQMWFEESA-N 426.330 4.589 30 10 IJEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)N(C)c1cc(Br)c(C#N)cc1F 2118207506 LFUBVMKOIKNJSS-ZDUSSCGKSA-N 428.346 4.932 30 10 IJEE C=CCC1([C@H](NCC)c2nc(CCC)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2143945723 DYIJXROUALBXJH-MRXNPFEDSA-N 441.414 4.589 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 2180925747 MYPYZIUDSJTPLM-QGZVFWFLSA-N 435.362 4.839 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181141061 HVBLTMBNYMSTTA-RDJZCZTQSA-N 436.350 4.733 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2cc(Cl)ccc2Br)C3)OC1(C)C 2194119949 DKTIOHLQWRFXSA-BUXKBTBVSA-N 440.574 4.801 30 10 IJEE C=CCCCCCCCn1cnc(I)c1I 2211147830 YLJHLOKKYCGHMC-UHFFFAOYSA-N 444.098 4.619 30 10 IJEE Cc1ccc(CNc2ccc(Br)cc2I)cc1C#N 2231682283 OHKYBZQIFJPQDG-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](N)(C#Cc2ccccc2Br)C[C@H]1C1CCC1 2235717007 AHZSHQRRDZRLFP-UGKGYDQZSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235733791 UYEIEIWJPUPHDU-SJLPKXTDSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](N)C#Cc1cccc(Br)c1 2242577082 ZPPISFTUUMOAMX-HXUWFJFHSA-N 429.358 4.565 30 10 IJEE CCCN[C@H](C#CC1CCCC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2260980765 LJGLSKIPYAIEOJ-SQHAQQRYSA-N 439.644 4.718 30 10 IJEE C[C@H](Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)c1ccc(NC(=O)OC(C)(C)C)cc1 2266741440 AMQPCSFIPDOFPO-INIZCTEOSA-N 439.365 4.901 30 10 IJEE Cc1ccc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2267229099 SYMUCZXUMPVLRM-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2289691793 FJMZPTJAWNSUMJ-PMACEKPBSA-N 435.406 4.667 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296218859 IYRSHJVNISDZFY-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CN(Cc1ccc([C@@H](O)C#Cc2cccc(Br)c2)cc1)C(=O)OC(C)(C)C 2296227443 OSMLSLKZNNOUNH-FQEVSTJZSA-N 430.342 4.901 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1CC2(CCN2C(=O)OC(C)(C)C)C1 2296279375 OISCKHMRFPZJKY-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CCN(C(=O)OC(C)(C)C)C1CC1 2296282328 VKRZIWDJXRXYHD-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)C#Cc2ccc(Br)cc2)C1 2296283476 HIFUZIMROWBWLD-GOSISDBHSA-N 432.358 4.797 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)C1CCC1 2296285218 ZOAMCISWHDNWSW-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 2296309289 SYLUUOLAZWFHKN-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1OC 2296769456 ROFPTKCGVSBWDP-JOCHJYFZSA-N 449.890 4.984 30 10 IJEE C=CCc1cc(C=C2SC(=S)NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 2297306598 XADZBCZPFGOPKH-UHFFFAOYSA-N 441.574 4.679 30 10 IJEE C=CCC(CC=C)[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2301015081 KSIWXUTXQGBFNK-JYFHCDHNSA-N 427.633 4.902 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2cccnc2)c1 2314477064 ANSAXLZDYHSYLI-VWLOTQADSA-N 440.499 4.658 30 10 IJEE C[C@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317358197 JBYKBPOUIWCYIX-XBOKISCZSA-N 430.354 4.503 30 10 IJEE CCn1cc(C=C2Oc3cc(O[C@H](C)C(=O)OC)cc(C)c3C2=O)c2cc(OC)ccc21 2321836059 AVZXHRURYSBOIZ-OAHLLOKOSA-N 435.476 4.535 30 10 IJEE O=C(C=Cc1cc(Br)ccc1OCCCO)c1cccc(Br)c1 2322457473 KPUNTCSQUYACKK-UHFFFAOYSA-N 440.131 4.869 30 10 IJEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2323688243 XAWFSNKTCZUQPQ-UHFFFAOYSA-N 444.439 4.714 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccccc1 2325652642 VSUFLJWNIRZFRO-UHFFFAOYSA-N 430.504 4.561 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2327649397 HQJUPKCEXDHARN-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2C)o1 2330577076 LBEPMDYVOCBPLY-UHFFFAOYSA-N 438.534 4.869 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1cccs1 2330587581 NLRMXVBRGMUIJJ-UHFFFAOYSA-N 434.546 4.922 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OC)nnc2-c2cccs2)cc1 2330588848 DTUWGOWQMHSDNY-UHFFFAOYSA-N 444.582 4.723 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc2ccccc12 2330659003 DMVXDCSESDAMCJ-UHFFFAOYSA-N 429.549 4.599 30 10 IJEE CCOc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)ccc1O 2330919486 DDTWOFIPAGSVQK-FQEVSTJZSA-N 438.553 4.717 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1CCCO1 2330989939 ZHLSQMMLWCLDFQ-SFHVURJKSA-N 443.916 4.866 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccc2ccccc12 2331165571 AWIYZWGGSHJBML-UHFFFAOYSA-N 433.537 4.534 30 10 IJEE CCc1ccc(C=Nn2c(CCOC)nnc2SCc2c(F)cccc2Cl)cc1 2331312527 HXRLAPGBINJPSX-UHFFFAOYSA-N 432.952 4.996 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)c1 2331489305 QRXZOWIJGFEHAA-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331661783 QQEBEUUQSRFOJN-UHFFFAOYSA-N 429.373 4.711 30 10 IJEE C[C@@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339589960 GARBXPNWCCWEKF-QFQMRYFISA-N 443.397 4.562 30 10 IJEE C[C@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339594667 XUVAYWMKFMWHRU-QGUQWCRPSA-N 443.397 4.784 30 10 IJEE N[C@@H](C#Cc1ccccc1Br)c1ccc(Cl)cc1I 2340065806 WTHRHCDGVKDDQZ-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668576 ITZTYLFBVABDDX-UHFFFAOYSA-N 449.370 4.928 30 10 IJEE CC[C@H](C)c1ccc(N/C(=N\C(=O)c2ccc(NC(C)=O)cc2)NCc2ccncc2)cc1 35481068 YKYREVNGHXPLRK-SFHVURJKSA-N 443.551 4.952 30 10 IJEE C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)Cc1ccc(F)cc1 35765483 BGSCIIIYAPEHAQ-UHFFFAOYSA-N 434.511 4.513 30 10 IJEE C=CCc1ccccc1OCCn1c(CNC(=O)COc2ccccc2)nc2ccccc21 40192319 FGNMIFFLRGYYGM-UHFFFAOYSA-N 441.531 4.539 30 10 IJEE C=C(C)n1c(=O)n(CC(=O)N(c2c(C)cccc2CC)[C@H](C)COC)c2cc(C)c(C)cc21 40311304 GIPVGWPGQZJQDN-OAQYLSRUSA-N 449.595 4.849 30 10 IJEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(C[C@H]3CCCO3)C4)C2=O)c2ccccc21 41589088 DJJBCGGQOVHWAO-AYUJEJKZSA-N 444.531 4.917 30 10 IJEE COc1cccc(/C(C)=N\Nc2nc(SCc3cccc(Br)c3)n[nH]2)c1 59039529 IOBKEZZCROVVQY-MTJSOVHGSA-N 432.347 4.704 30 10 IJEE COC(=O)c1ccc(N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 59165910 KNCGFZIYSRUQOM-LPYMAVHISA-N 436.380 4.528 30 10 IJEE C=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N(C)c3ccccc3)c2)c1 66091886 CBLVNDSORHLYNB-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE N#CCOc1ccc(Br)cc1/C=C1/S/C(=N/c2ccc(Cl)cc2)NC1=O 96576985 XITMCLJJMLTSDT-MHWRWJLKSA-N 448.729 4.896 30 10 IJEE CC(=O)c1cccc(NC(=O)N2CCC[C@@]3(C2)Nc2ccccc2N/C3=N\C(C)(C)C)c1 97096118 NYOTWQGMCZZEII-VWLOTQADSA-N 433.556 4.990 30 10 IJEE COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)/C(=N/c2ccc(Cl)c(Cl)c2)S1 100294609 YUDQKLSVDGTUGN-VFOOBRQFSA-N 438.336 4.592 30 10 IJEE Cc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)cc1F 105337267 OCLPZABLKCQTAR-YBFXNURJSA-N 446.500 4.821 30 10 IJEE CCOc1c(Br)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Br 169879306 CAXDJNMAVJUOQY-GIJQJNRQSA-N 443.095 4.965 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1OC(C)C 169976430 HBUCNOZKJHVQID-HSZRJFAPSA-N 449.503 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)c(C)c1 169982060 PYWIYRRTJSHXHK-QFIPXVFZSA-N 448.544 4.914 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)c1 169982082 AXDUQBKHKOFQIC-JOCHJYFZSA-N 448.544 4.996 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccnc1 170006441 RYEHPTJSGOHMHH-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(O)c2)c1 170079229 NFOQBQFTTAXHNQ-XMMPIXPASA-N 429.472 4.503 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2C)c1 170086255 GGFSOJWHVDAQQG-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(C)o2)c1 170103209 IVCIIWAKPKUPCH-OAQYLSRUSA-N 427.460 4.864 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)cc1C 170119040 NKNCJMNUDXESCD-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccs2)cc1 170157735 JAGOGUJJTRHGBB-NRFANRHFSA-N 435.501 4.938 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccs2)cc1C 170157934 GNCJPNFGAQUZGA-QFIPXVFZSA-N 447.512 4.919 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccs1 170160117 MZJNVYLPNWAYNO-QFIPXVFZSA-N 447.512 4.865 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)cc1C(C)(C)C 170177867 DWAKLVYCJLZDGV-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)cc1C 170206457 JHFUTVKSVMEWHD-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c1C 170225927 DAXYKCQUSGFCMI-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)cc1C 170275252 RUUGVAPHJQEYFH-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE Cc1noc2nc(-c3ccco3)cc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c12 196407427 WXZWQUSMNWCXPZ-UHFFFAOYSA-N 425.366 4.592 30 10 IJEE C=CCc1ccc(OCCCn2c(CCCNC(=O)/C=C/C)nc3ccccc32)c(OC)c1 205731020 QXOKCKRBEJCMTB-VZUCSPMQSA-N 447.579 4.867 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)N1CCN(Cc3ccccc3)CC1)n2C/C=C/C 210617053 QWNWZRCWUJTOAC-HWKANZROSA-N 429.564 4.740 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1C12CC3CC(CC(C3)C1)C2 253572295 QACFGZNXRIUNNY-UHFFFAOYSA-N 438.597 4.671 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(c2nnc3ccccn23)CC1 460783630 PQEBRWFBTZHVHF-UHFFFAOYSA-N 433.947 4.601 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3noc(C)n3)CCCCCC2)cc1 465146113 AABYMUMSYCBFPY-UHFFFAOYSA-N 437.544 4.563 30 10 IJEE Cc1nnc(Sc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(C)c2)s1 502997533 XWVKJSXSMUCWKT-HXUWFJFHSA-N 432.571 4.506 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508496509 DTXHQCARUFQJOU-UHFFFAOYSA-N 449.942 4.616 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@H](C)OCC(C)C)no1 508939250 RQSZCDFGYIDPSS-HNNXBMFYSA-N 430.940 4.538 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])o2)c1 526487306 XFNKNMIWLFRQRB-JOCHJYFZSA-N 445.431 4.905 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccc2C(=O)O)c1 526607388 VSRXIOKSOFJJAV-QHCPKHFHSA-N 440.455 4.712 30 10 IJEE COc1cc(Br)cc(/C=N\n2cnnc2SCc2cc(C)cc(C)c2)c1O 526808947 SAORCSIKFBIMJT-AFPJDJCSSA-N 447.358 4.546 30 10 IJEE CCc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 586250203 XQXWTTPQZHOQPW-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccccc2)c1 619818784 KUILRDOKHIFVCO-RUZDIDTESA-N 433.531 4.779 30 10 IJEE C=CCC1([C@@H](Cc2ccc(Br)cc2F)NC)CN(C(=O)OC(C)(C)C)C1 722929737 NYHISGZXHLHNAR-QGZVFWFLSA-N 427.358 4.532 30 10 IJEE C=C1CCC(CNC(=O)c2cc(I)ccc2Br)CC1 724459889 XWGCZZPQAHMPKT-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 741569138 YGYHANRAYCUZLC-DENIHFKCSA-N 430.470 4.530 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccc(C(F)(F)F)cc1 749770500 GEKREIBFUOPLFQ-IBGZPJMESA-N 429.446 4.793 30 10 IJEE Cc1cc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)ccc1NC(=O)c1cccs1 758686365 XFZRWYCHJUTLLY-UHFFFAOYSA-N 444.472 4.588 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H](C(=O)OC)c3ccccc32)c1=S 766363767 HIGIZGPSOBFNSG-FQEVSTJZSA-N 434.565 4.700 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC(F)F)cc1 799218492 HCFDUXAPKQMZGN-GOSISDBHSA-N 447.507 4.885 30 10 IJEE C#C[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1F 804420465 JBGDGFFBLSOYGR-SFHVURJKSA-N 427.932 4.796 30 10 IJEE CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1124748840 BVFIEDMGTARJSI-UHFFFAOYSA-N 445.494 4.577 30 10 IJEE C=CC[C@@]1(C(=O)NCCOc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1125906556 BBVZVTSRSVIYHO-NRFANRHFSA-N 442.478 4.546 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 1130627305 UDUVLXBSHIHRIN-UHFFFAOYSA-N 439.455 4.731 30 10 IJEE C=CCC1(NC(=O)CCCCCc2ccc(I)cc2)CCOCC1 1130901846 BAUDIURFUASHOQ-UHFFFAOYSA-N 441.353 4.636 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl)c1ccccc1 1134861971 LQRWJKIJQXUVKB-AREMUKBSSA-N 446.377 4.640 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C)cc1 1136097035 BHAKCYXZORBIFS-HXUWFJFHSA-N 438.528 4.507 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1 1153934461 OVGAXFABVJYTMB-UHFFFAOYSA-N 448.371 4.720 30 10 IJEE C#C[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CCC2 1159765130 XMSVGNYTTJFOMG-KGAUPUERSA-N 434.898 4.628 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)C1 1165744264 NIXNRBZWWHSIDF-HXUWFJFHSA-N 427.589 4.683 30 10 IJEE Cc1cc(Br)c2c(c1)CN([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 1169518167 CGJFPQXKQZIMOL-CYBMUJFWSA-N 432.749 4.668 30 10 IJEE CC(C)Cc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)N(C)C)cc1 1199740608 FYUBNQYSFVCOQJ-HXUWFJFHSA-N 430.499 4.783 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(Br)cc3nc(C)oc23)c1 1216784241 BZMHSKINIFMHLA-OAHLLOKOSA-N 443.301 4.901 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)c1 1264919616 YYWQBZVJFZWTRJ-UHFFFAOYSA-N 428.488 4.866 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC1CCCC1 1286299754 YOHBQHQNMMBYMU-PZJWPPBQSA-N 443.636 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCOCC 1286439227 SEFVDWBUFDBGRI-UHFFFAOYSA-N 439.785 4.637 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccco1 1286497417 RWRIJAJIDVJMEF-IEBWSBKVSA-N 440.544 4.858 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1286498994 HHIWJBHHGBJROM-PMACEKPBSA-N 426.630 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OC(C)C)nc1 1286515965 UPKPCMPSQBSJCK-XMMPIXPASA-N 435.959 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCOC(C)C 1286518229 RDRVDQUGKJTYEY-OAQYLSRUSA-N 431.378 4.515 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1286584773 TXNQZUNMZQBZRN-QAPCUYQASA-N 426.362 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286668391 QPDYNBXSVKXEGG-PGRDOPGGSA-N 434.588 4.799 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(C)C 1286672111 GPOHUNYPJDHOHI-IBGZPJMESA-N 449.640 4.671 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1286681877 WBCMJSBMYYDUMV-VXKWHMMOSA-N 437.632 4.677 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@H](SC)C1 1286827054 BEINWHJWQQIFOS-SFHVURJKSA-N 448.658 4.603 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)c1 1287948214 FXWPKQDTIQKPTI-UHFFFAOYSA-N 445.596 4.660 30 10 IJEE C#C[C@H](NC(=O)c1cc2cc(Br)sc2[nH]1)c1ccc(Br)cc1 1298537920 FJEDJMFSQZEIQO-LBPRGKRZSA-N 438.144 4.859 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1300317085 JORNBTZODNTIEZ-NQIIRXRSSA-N 445.007 4.525 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1300868802 HTICGKADVHCDLM-ZXGKGEBGSA-N 438.616 4.805 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1300944990 MNIZENNMRSATFZ-SFHVURJKSA-N 448.571 4.515 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[C@H]2C[C@H](F)C2)CC1 1301085160 FRSDPGFOQYLOOQ-KESTWPANSA-N 447.599 4.687 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)N(CC)CC)CC1 1301134374 JHHWGAXASLYMCH-GOSISDBHSA-N 432.012 4.643 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=C)Br 1301169847 IHMXGJBZJJSRFE-LJQANCHMSA-N 447.377 4.882 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1301187676 AHIQJNZTDLGSLC-UHFFFAOYSA-N 429.653 4.888 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(Cc1ccco1)C(C)C 1301218308 MBAXYGFIKDXWIL-UHFFFAOYSA-N 446.555 4.649 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1301594893 LIXURKMBTDWFIH-KRWDZBQOSA-N 448.608 4.870 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2CCC[C@@H]21 1301601099 AJGLNHOVIZUXMT-MOPGFXCFSA-N 428.602 4.649 30 10 IJEE C#CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656455 YTNCFCZIAQUCFK-UHFFFAOYSA-N 438.490 4.656 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)n1 1304454068 FNLKFMIURRKDEJ-UPVQGACJSA-N 444.583 4.608 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)cc1 1308516513 KKENULWADBZJMB-UHFFFAOYSA-N 440.540 4.823 30 10 IJEE C#CC[C@H]1CCN(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)C1 1310007080 ZAEYNBZWFMIMKF-SFHVURJKSA-N 435.524 4.613 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1312731547 BTFAUHZBMIPNDR-FQEVSTJZSA-N 436.506 4.583 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C1CCCCC1 1314796382 AFCOBKOUUQCIAO-UHFFFAOYSA-N 448.615 4.624 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@H](C)C1 1316091324 HBWMTESFPCEBCQ-WIYYLYMNSA-N 433.556 4.807 30 10 IJEE COc1cccc(C2=NO[C@H](C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)C2)c1 1347983569 DQHQANSULKYPQT-YWZLYKJASA-N 437.565 4.911 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OCC 1350869555 FDNAFEAQPSISAW-UHFFFAOYSA-N 446.528 4.648 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 1352421779 GUGSFPQKCGQQIO-NRFANRHFSA-N 435.321 4.800 30 10 IJEE C#CC[C@]1(C(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1352682618 NQHRLXJVXLFCAI-JOCHJYFZSA-N 438.490 4.847 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 1356181375 HYYLMXXKJNBWMO-UHFFFAOYSA-N 430.325 4.727 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1358925845 UHBSYDXQSUBHJG-LJQANCHMSA-N 442.336 4.663 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCCCc1nc(C)cs1 1358972601 KWWJDBYJUPLCKD-UHFFFAOYSA-N 429.549 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1359002301 VENIJPACQSBRIN-LEWJYISDSA-N 449.624 4.898 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CC(F)C1 1359079677 RTWVRWFEBCIESL-UHFFFAOYSA-N 443.748 4.700 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)Cc1cc(Cl)ccn1 1359146713 HGBYOWRRABHALI-UHFFFAOYSA-N 448.354 4.790 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359156837 RAFPNHASSSCSHP-MAEOIBBWSA-N 449.958 4.577 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2c(C)noc2C)CC1 1359168949 OIBAEJINSMVDKD-UHFFFAOYSA-N 448.354 4.973 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H]1CC)c1ccccc1 1359193329 CFVCGNWZXFBVJG-KSEOMHKRSA-N 444.583 4.910 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 1359194179 QMUGHMWAEFEEBZ-RPWUZVMVSA-N 437.632 4.658 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359208093 FPVCYGASMBWPNA-UYAOXDASSA-N 435.538 4.859 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359211017 PQTOYOWEFTXMSQ-FQRUVTKNSA-N 438.616 4.983 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359220300 UOYKIDKIQYPCSU-WMLDXEAASA-N 444.885 4.633 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CCc1ccsc1 1359254670 ZCPVJZNIZQHESC-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1359258763 AYLXYUCEMWHCOY-SFTDATJTSA-N 431.584 4.660 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCS1 1360744777 ALGYWOMAWWKIIA-NBCNXNJRSA-N 429.565 4.583 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)cc1 1435909343 OQPYZAKMAFOMPD-IZZNHLLZSA-N 442.584 4.766 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1 1436254993 FFORVWHXXHWSPE-HSZRJFAPSA-N 441.556 4.882 30 10 IJEE Cc1ccc(Oc2ccccc2CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1 1436725288 DZJCLMJGEONPJY-VWLOTQADSA-N 425.532 4.987 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)C1(CO)CCCC1 1452443508 ZELQXYCGIXICQB-NHCUHLMSSA-N 430.589 4.646 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)c1 1456137608 WYRKLLXPXBNBPQ-UHFFFAOYSA-N 434.801 4.835 30 10 IJEE C=C(C)Cn1c(SCc2ccc(C(=O)OC)c3cccnc23)nnc1-c1ccncc1 1458992400 HPSLNWITFSTSQO-UHFFFAOYSA-N 431.521 4.543 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 1460787002 HGJPPHBTFKRLEY-FTXBEZFBSA-N 441.358 4.878 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)CN(C(=O)OC(C)(C)C)C1 1464582814 RXBUZPUKJGVCHA-UHFFFAOYSA-N 446.551 4.836 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)CC2)cc1 1465786521 AOGNEDYPWBVZCQ-UHFFFAOYSA-N 433.899 4.753 30 10 IJEE C[C@@H]1C[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1Cc1ccccc1 1466342611 HRURFNPKXATDTP-DNVCBOLYSA-N 432.446 4.631 30 10 IJEE CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1466867524 CGCFJHOLIVQZFP-IBGZPJMESA-N 442.972 4.741 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1)C(=O)OCC 1471580316 FVNTYXFDYYVUFI-LJQANCHMSA-N 431.916 4.555 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(Cc2ccccc2OCc2ccc(F)cc2F)CC1 1474307215 GHBXOKUDNDVLLI-VWLOTQADSA-N 433.502 4.926 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CCC(CCC(N)=O)CC2)cc1 1476754853 GVPAOWXTTVSGMP-UHFFFAOYSA-N 442.972 4.872 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)c1 1477923799 FZZACYPTLUUNOQ-FQEVSTJZSA-N 438.528 4.714 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1499453053 FTEOSSDYEFXBNC-FUPPJEDESA-N 437.588 4.560 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CCC)C1 1507558844 LQGMTJSHKHMLQW-QGZVFWFLSA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@@H](SC)C1 1507571036 OUXYVYDGDHQQHN-OAQYLSRUSA-N 426.630 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCCSCC(C)C 1507763274 SWXGAXRNQDGZQV-XMMPIXPASA-N 442.629 4.734 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1507779708 FYLSFFRMARFPPP-SFHVURJKSA-N 445.361 4.623 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1 1507795492 LIQFFHVQSHCUDP-WIYYLYMNSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507799006 QAOXAXBNKBNOEV-UIFIKXQLSA-N 448.970 4.930 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1)c1ccccc1 1507850894 CWKHBXDZKSXGNJ-UHFFFAOYSA-N 444.505 4.816 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCCC[C@H]2C)CC1 1507885430 ABLMEMVPNHVSNN-JOCHJYFZSA-N 437.632 4.689 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC=CCO2)CC1 1507896831 LVKMZTRFQDQKOQ-UWJYYQICSA-N 428.964 4.819 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507904449 QDQVEXGQRPMPFJ-HXUWFJFHSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1507910289 MMFMJBYEBSDWSF-NRFANRHFSA-N 444.583 4.830 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@](C)(CC)C1 1507910711 BETDVXXHKMDOFB-VWLOTQADSA-N 434.588 4.943 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507933718 RUOPQRBKSBISTD-LJQANCHMSA-N 435.538 4.606 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1507935674 TYTAFZTXXOSOKM-ISKFKSNPSA-N 437.632 4.629 30 10 IJEE C=CCCCn1c(C(C)C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1507942461 CXQPEKBWLZVNPI-QGZVFWFLSA-N 441.567 4.839 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1507945013 ZHDFDDDSZKAFAE-UTKZUKDTSA-N 438.551 4.771 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1507959187 JJEHOKNTLGLLKT-DWLFOUALSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCCOC(F)(F)F 1508000709 YZPRAXPXNIZPKU-UHFFFAOYSA-N 433.478 4.926 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nccs1 1508007394 AZDWYYVAFPSCKT-IEBWSBKVSA-N 441.576 4.764 30 10 IJEE C#CCN(C(=O)[C@H](C)OCc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1521819842 USXNIXAYCJCZDV-LAUBAEHRSA-N 442.353 4.648 30 10 IJEE COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(C#N)cc2OC)cc1OC 1523901103 DMIMVBVRDKGQCX-UHFFFAOYSA-N 436.533 4.531 30 10 IJEE N#Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1Br 1525276934 GYISHKRYJGIIMB-JOCHJYFZSA-N 439.284 4.744 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1528088754 PZZCCCGKQUWLEX-QZTJIDSGSA-N 437.378 4.569 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1C 1528415532 FQWHKUKSZAEPDW-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C=C(C)[C@H](NC(=O)Cc1ccc(I)cc1)c1ccc(F)c(F)c1 1529492221 NHACEPNIUIPWKK-SFHVURJKSA-N 427.232 4.546 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2Cl)c1 1529715477 AQWIKCUCKFNBIZ-LJQANCHMSA-N 431.879 4.855 30 10 IJEE CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1530082073 IBWXHEYUXPCEAB-GCJKJVERSA-N 435.955 4.785 30 10 IJEE C#CCN(C(=O)c1ccc(COc2ccccc2Br)cc1)c1nccs1 1532066546 FGKBFIVIGFUMOT-UHFFFAOYSA-N 427.323 4.765 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)CCC)ccc1Cl 1534151523 BRTBHHILURVVNF-OAHLLOKOSA-N 438.952 4.779 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1)[C@H]1CCCO1 1537763075 OIFFYDOPMWBXCY-QZTJIDSGSA-N 448.375 4.672 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(C)OC[C@@H]1C 1539055800 IHJMQOVHETWYNC-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCCCC1 1539384575 KOAMYKXRPWIVSP-UHFFFAOYSA-N 449.574 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C)CC1 1539620692 MTMFVHBPHKMBJR-FCEWJHQRSA-N 448.409 4.643 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N(CC)CC)CC1 1539828322 HUYVBEGNSIVMKE-RBUKOAKNSA-N 432.012 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1539841777 KPCQQBLSJLTLCC-INIZCTEOSA-N 439.913 4.639 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1539940198 OOTMPQSQAMAOJI-CQOQZXRMSA-N 444.627 4.927 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539960937 JVDSJLRJZLTYHS-HXUWFJFHSA-N 448.615 4.534 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)CC1 1539974610 RVBWAMGUKAURPC-UHFFFAOYSA-N 441.595 4.807 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1540036250 LKTRRQQJLFDPFM-KRWDZBQOSA-N 437.009 4.821 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C(F)(F)F 1540072751 VSEYZOOWDRSVIH-UHFFFAOYSA-N 445.530 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc([C@H](C)O)cc1 1540141061 YIXJVLACOLEUKB-SFHVURJKSA-N 431.565 4.696 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCn2cc(C)nc21 1540174526 NNUBYWJAJVNCNI-JOCHJYFZSA-N 446.599 4.735 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCCCC2)cc1 1540536803 SCUDRRHKMWSADQ-JOCHJYFZSA-N 429.605 4.538 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 1542190802 YWJWKQOLEDAEJG-FPOVZHCZSA-N 440.588 4.877 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc(-c4cccc(C)c4)c3)ccc2c1=O 1542718633 FBUCJQJACVUDLK-UHFFFAOYSA-N 441.556 4.777 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](C)SC)cc1OC 1547264387 GEQMSVYOZZSTPJ-KRWDZBQOSA-N 443.617 4.624 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)CC(C)C)cn1 1547441549 BIUZXTCEZRDIMV-UHFFFAOYSA-N 431.588 4.589 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCCC[C@@H]3[C@H](O)c3ccccc3)c2C#N)C1 1559642944 HNCRRGRHHRZBQV-NYQDVAGCSA-N 437.609 4.661 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C 1559885569 RZELVLHJZILXFG-SJORKVTESA-N 435.996 4.654 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@](C)(CO)c1cccc(Br)c1)c1ccc(F)c(F)c1 1564595670 CJAMBVNJKAVNIV-QUCCMNQESA-N 439.300 4.551 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 1565630560 FITAFTKFJWUMDD-SJORKVTESA-N 425.451 4.636 30 10 IJEE C#C[C@H](NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)c1ccc(Br)cc1 1569673964 QOHHSBGYPPSQJG-KRWDZBQOSA-N 446.251 4.545 30 10 IJEE C#C[C@@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1CCC)c1ccc(Cl)cc1F 1584727492 OBBXGSAMECCUDY-GOSISDBHSA-N 431.298 4.770 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1587788153 XNKTVJNXLOVWND-QFIPXVFZSA-N 442.991 4.709 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCOC1CCCCC1 1588200426 PDTITBRNBZOONY-UHFFFAOYSA-N 442.966 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1ccncc1 1589242687 FXPHAIXSMWSYSW-HHHXNRCGSA-N 443.595 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)CCOCC 1589495926 UVKSCVNNRWZEQJ-RDPSFJRHSA-N 449.599 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(c2nc(C)no2)CC1 1594461135 JRMINGQBGHXDJZ-UHFFFAOYSA-N 436.560 4.631 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(CC)C1 1594727209 LUCPXOHPGKYUBQ-NTKDMRAZSA-N 431.625 4.985 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1coc(-c2cccs2)n1 1594855934 FOVHAIDOFCZLQU-OAHLLOKOSA-N 439.516 4.944 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)s1 1595099776 ILHUZLYCLHHCPY-GOSISDBHSA-N 439.972 4.609 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc3cccnc23)nnc1N1CCCC1)C(C)C 1595166551 USJYRRUOCXAXSV-HSZRJFAPSA-N 430.600 4.792 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(=C)C)C1 1595687699 CGLBAJFLDGIAGN-HNNXBMFYSA-N 437.769 4.718 30 10 IJEE CN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(C#N)c(Cl)c1 1596376265 CMYDBLHOPSWIGW-UHFFFAOYSA-N 437.887 4.937 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(c2nc(-c3ccccc3)no2)C1 1597227616 CJWJFZONPDAUBV-UHFFFAOYSA-N 429.398 4.560 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1598379691 LBOAIQJILLIRLV-OAQYLSRUSA-N 447.000 4.952 30 10 IJEE Cc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@](C)(C#N)C2)c(OCC(F)(F)F)c1 1612083350 FBYVBYWHXGFBKE-JOCHJYFZSA-N 449.521 4.905 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1613137255 BSLAVCGFYBLSTN-TZYHBYERSA-N 437.588 4.621 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 1616751971 ITCPRQHFBZQHGO-ROUUACIJSA-N 442.581 4.647 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@](C)(CO)c3ccccc3)c2C#N)C1 1617282635 DOLQTDLIRIHVNM-IQGLISFBSA-N 439.625 4.597 30 10 IJEE C=C(C)[C@@H](NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)c(F)c1 1617338885 NKNLWSOSECWSGV-ISKFKSNPSA-N 447.957 4.778 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](F)C1 1619110233 DWXBKQKUFLLCQA-ULYRPOKDSA-N 431.943 4.875 30 10 IJEE CSCc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)cc1 1620247763 HEZPYBIYDFYUPS-NRFANRHFSA-N 425.602 4.561 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@]1(C(F)(F)F)CCC[C@@H](C(C)C)CC1 1625631611 XNXLXRMWBSRKOK-IIBYNOLFSA-N 425.495 4.862 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cnn(C2CCN(C)CC2)c1)c1ccc(C(F)(F)F)cc1 1626891615 JUUSHOGJKXXMLX-FQEVSTJZSA-N 435.494 4.998 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CCC2)cc1 1630938170 GGZPYYOJMAUMRU-QFIPXVFZSA-N 432.568 4.535 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1 1631950096 FMYVSFVXPWMMSD-HXUWFJFHSA-N 449.913 4.938 30 10 IJEE Cc1c(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)sc2ccc(C#N)cc12 1635183556 FAUVTNFJQFYXSF-MRXNPFEDSA-N 440.366 4.853 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)[C@H]1CCCc2ccccc21 1635885588 WIVNPPKEEYNUIV-RDGATRHJSA-N 429.564 4.778 30 10 IJEE C=CCC[C@H](CO)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1640585093 JQWWDLKRKOLLMY-VJSYINPZSA-N 437.521 4.579 30 10 IJEE CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1645663975 DVSDJOFVKFFKKT-DEOSSOPVSA-N 441.531 4.985 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H]1CCC[C@H](C(F)(F)F)O1 1651886425 CGWFKTSENLBPIB-DLBZAZTESA-N 427.492 4.944 30 10 IJEE C=CCCC[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 1654659429 ANINFIYJIZMVDD-GHTZIAJQSA-N 445.485 4.980 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(NC(=O)C3CC3)cc2)cc1OC 1655223934 VKWQWPKJEABAPE-UHFFFAOYSA-N 445.357 4.661 30 10 IJEE C=C(C)Cn1c(S[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 1656352354 SBBAEQDERYUTOT-KRWDZBQOSA-N 448.470 4.941 30 10 IJEE C=CCOc1ccc(CNCCc2cn3cc(Br)cc(C)c3n2)cc1Cl 1657144179 XNAXMUYUJNZYJJ-UHFFFAOYSA-N 434.765 4.956 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NCCN(Cc1ccccc1)c1ccccn1 1658658898 FFHQERKSQPVXQN-UHFFFAOYSA-N 429.524 4.569 30 10 IJEE C=CCCc1ccc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OCC)cc1 1659167580 CQSKCAYEPQSKIZ-UHFFFAOYSA-N 436.327 4.606 30 10 IJEE COc1cc([C@@H](C)NC(=O)Nc2cc(C#N)c(F)cc2F)ccc1OCc1ccncc1 1664250732 HJXYWSZMHYDATF-CQSZACIVSA-N 438.434 4.702 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1666571220 WCHCUAAMPZWVEF-UHFFFAOYSA-N 440.397 4.562 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(CSCc4ccccc4)c3)CC2)cn1 1668584614 BSRZHDWAWFKSGM-UHFFFAOYSA-N 443.576 4.741 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ccc(Cl)cc1 1669583555 ZPRLBBVNAOPCGN-CQSZACIVSA-N 437.117 4.548 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1681459045 RDETXFBZIKUYED-XZOQPEGZSA-N 441.641 4.597 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCNC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 1685816905 BVSJIKTUJQEAAC-QGZVFWFLSA-N 439.503 4.894 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)c1ccc(F)c(F)c1 1686174147 YHJWYSGNIBTSQV-VQTJNVASSA-N 432.421 4.683 30 10 IJEE C#CCSCCn1c(Nc2cnn(C)c2)nnc1[C@@H](C)Oc1c(C)cc(Cl)cc1C 1690186451 QKZGTTDLOBUGLZ-MRXNPFEDSA-N 444.992 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cccs1 1690238119 FQDPMRAAZZMNNT-PXNSSMCTSA-N 439.541 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1cccs1 1690250459 HXJBSEQEYDXIBM-CEQIKUNHSA-N 443.642 4.874 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCSC2)CC1 1690406377 DDTHEUCALFTXJC-MRXNPFEDSA-N 433.419 4.863 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2CN(CC)CC)CC1 1690408294 CUFIBLMTPAVTQH-UHFFFAOYSA-N 430.600 4.633 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690419764 AVHAXSHXSYXDRG-SVFBPWRDSA-N 441.595 4.832 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(OC(C)C)nc2)C1 1690690026 PWVNSOOMSLCRFR-HSZRJFAPSA-N 447.583 4.519 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690736208 WSTWVLLJLMEGPJ-ROUUACIJSA-N 440.535 4.507 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(F)cc1 1691328551 DTUOIWJUTDQDLC-NHCUHLMSSA-N 425.552 4.514 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCCCC1 1696782678 ICYLEJWSFOVKJD-UHFFFAOYSA-N 448.640 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCCN1CCCC 1705503426 WOLPNEQGBUNTND-DHIUTWEWSA-N 437.632 4.586 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1705524922 VDHVCKHILCTVBB-HBMCJLEFSA-N 440.563 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC1(OC)CCC(C)CC1 1705588442 FOLAETFSNHLPOK-AFCFIKFXSA-N 432.612 4.878 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[S@](=O)C(C)(C)C 1705710495 MWENLSBMNGMLAQ-ZOKDDAQRSA-N 436.597 4.507 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@](C)(C#N)C1 1705740058 AGMHVXXSENSQDN-HSZRJFAPSA-N 425.602 4.602 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N(C)C1CCC(NC(C)=O)CC1 1705803071 DQVLATUEIBZYRU-UHFFFAOYSA-N 429.996 4.838 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1705805387 GHESLRWROHRBRJ-IBGZPJMESA-N 433.641 4.964 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1705824270 LIGYSADWCNTLRW-IVAOSVALSA-N 430.637 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@H](C)C1 1705866560 UBWGDHSUQZFACX-DYXWJJEUSA-N 430.618 4.979 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1705887233 UXPOAGZINAFOSM-FUHIMQAGSA-N 430.980 4.878 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCCCCC2)C1 1705921683 XFGRTMNASOLLAE-GOSISDBHSA-N 448.970 4.604 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C#N)cc1 1705950403 ZTZHUJGCANFXBD-NHCUHLMSSA-N 439.629 4.624 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722313833 YIOBTEZWNZSAGO-JOCHJYFZSA-N 434.632 4.625 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCOC1CCCCC1 1722344481 KATBVKWLBFDBDL-GOSISDBHSA-N 430.980 4.880 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC=CCC1 1722426776 HDBPZRPVCZBTSH-NRFANRHFSA-N 436.600 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(C)=C(C)C1 1722501843 QLACPELPPWQEMB-DHLKQENFSA-N 436.600 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(C)(C)C)C1 1722504314 YYLQLWKRCMGAIX-PWHSHALESA-N 442.579 4.850 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1722561993 HEURMOCJMLJLEF-FPOVZHCZSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1ccco1 1722620853 SLNLVYYRRLUGJV-NRFANRHFSA-N 449.555 4.674 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSC[C@H]1C 1722626603 GFNUKVRHXMUWEH-LJQANCHMSA-N 444.645 4.689 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCc1nccs1 1722665342 KFNSDZRCCLPCFG-UHFFFAOYSA-N 430.375 4.585 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1C1CCCCC1 1722666143 LMQJBHCFUCASRJ-XMMPIXPASA-N 430.600 4.792 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1722684044 OSOQUEIDEUKSAQ-IBGZPJMESA-N 429.996 4.697 30 10 IJEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)C1 1723967719 HPSPHMNHXLPSGV-DVECYGJZSA-N 435.597 4.658 30 10 IJEE CCN(CC)[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1cccc(C#N)c1)c1ccsc1 1728375033 ARCAYCLCDPUPKR-QFIPXVFZSA-N 434.613 4.808 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)Cc2cccs2)C1 1729107233 CTYBCMSIHXVYHT-QUCCMNQESA-N 435.597 4.620 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](CCC)C1 1740568788 PMNVDLODQYFJHF-LJQANCHMSA-N 431.378 4.516 30 10 IJEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1740713934 NTRABZVITYORED-OAQYLSRUSA-N 431.565 4.680 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1740721749 SEPMINUPULFQQO-GMAHTHKFSA-N 438.641 4.999 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740757304 UOAXPRCXEPZAAS-GIVPXCGWSA-N 445.007 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1740776858 DRXKPIVQWQFUJU-MUUNZHRXSA-N 439.050 4.537 30 10 IJEE C=C(Cn1c(N(C)Cc2nc(O)c3sccc3n2)nnc1C(C)(C)C)c1ccccc1 1740800126 HOMYHYPBFPFEAL-UHFFFAOYSA-N 434.569 4.636 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)CN2CCCC2)CC1 1740818501 LDEZRGLLGJQZPU-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(CC)CC2)CC1 1740825764 UFZKMBSDLOPXKF-UHFFFAOYSA-N 429.609 4.739 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCn1cc(Cl)cn1)C1CC1 1740907634 YJBBCVQEDOZFPY-GOSISDBHSA-N 440.979 4.740 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC1=CCCOC1 1740922638 NRDKAXYSBWWGJS-UHFFFAOYSA-N 427.961 4.594 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740997471 UDTHKOUJUVXTMG-LJQANCHMSA-N 446.064 4.830 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC(=C)C 1741003221 PRVFCISLISHPTR-IBGZPJMESA-N 449.665 4.714 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccsc1Br 1741433299 DWGTXFCVPHVHKC-UHFFFAOYSA-N 444.402 4.857 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1748706525 LQDDQERZUNNOLV-HSZRJFAPSA-N 449.643 4.706 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1c(C)coc1C 1748917263 SFCJLCXNICKMLC-UHFFFAOYSA-N 431.309 4.564 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1748937590 MIRRPLZEODPXMK-NHCUHLMSSA-N 438.616 4.819 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@](C)(OC)CC1 1749048530 PIRGHOIROOCREM-QHCPKHFHSA-N 444.670 4.641 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C[C@H](C)CC 1749103533 ASGABPIQKRHFIG-KDOFPFPSSA-N 435.366 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(c2ccccc2OC)C1 1749157974 BPIDXCLXANVPMS-FQEVSTJZSA-N 425.621 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CCO[C@H]1C1CC1 1749161591 BCGUYZPDOFBACT-LADGPHEKSA-N 430.543 4.755 30 10 IJEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1749267241 PRMZMURRMSVOMI-UHFFFAOYSA-N 438.016 4.914 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C)OC)CC1 1749293211 FOFDAIRSOMJZEY-ZDUSSCGKSA-N 425.758 4.552 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(SC)CCOCC2)CC1 1749293692 DUFRZCLLPJVGGD-UHFFFAOYSA-N 449.020 4.676 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C)[C@@H](C)CC)CC1 1749331452 KKIJGLGBQJUWBZ-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749376378 XZYWUUFIMXGDBI-QUCCMNQESA-N 428.552 4.604 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1749386399 DUDNVNXTYITESB-CTNGQTDRSA-N 425.577 4.507 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cc(F)ccc1F 1749550812 JIHPIARPAAFNPQ-UHFFFAOYSA-N 425.508 4.864 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2sccc2c1 1749561456 NUQHKPLREMGCQT-XMMPIXPASA-N 438.597 4.760 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1749608005 COGRBZKNRZQKLQ-GFCCVEGCSA-N 436.304 4.708 30 10 IJEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCSC1 1750733200 IBNUXDPHDGREOX-FQEVSTJZSA-N 439.629 4.539 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H](C)CC#N 1752128878 AAQTXKNJZJPDGR-ROUUACIJSA-N 446.546 4.549 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@](C)(CC)C1 1760132632 LNCXIKZZHPGOTE-NRFANRHFSA-N 431.378 4.516 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1760159155 XUCRVIGJLJVPTH-PKTZIBPZSA-N 436.600 4.530 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(COC)CCC1 1760197925 QCBQQXZQLFQMLM-UHFFFAOYSA-N 448.567 4.702 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1Cc1ccnc(OC(F)F)c1 1760240706 ZPSXFNYWYAJLBC-INIZCTEOSA-N 443.473 4.615 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccccc2Cl)CC1 1760315422 FIASVNJJFXJDDX-IPJJNNNSSA-N 444.023 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1760317663 IRUOBCKBUFJTFO-HJNYFJLDSA-N 442.629 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(CC)C1 1760318963 JRSGWLRSAARMRA-PZGSVQSZSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCCCC2)CC1 1760399309 IPJJYNPJAKLZDS-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2csc(C)n2)CC1 1760405898 LGGRZOVJHKYJDW-WOJBJXKFSA-N 429.634 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC(C)(C)C1 1760408944 JVRWNDMCOQEFLA-UHFFFAOYSA-N 438.439 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cscn1 1760409503 WUAHNWXGCZMZIF-UHFFFAOYSA-N 435.395 4.731 30 10 IJEE C=CCCCCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1760430194 BLFWGGFPXDTVRP-IBGZPJMESA-N 434.506 4.872 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1760445810 WLHQTXIXSXWLND-LJQANCHMSA-N 438.494 4.591 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCC(OC)CC1)C1CC1 1760471098 MIGBUJAFQAAMJZ-MPQSDHOMSA-N 428.552 4.917 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](F)C1 1760482054 QNFHQGDLEGNDOA-SLSDLSHTSA-N 442.579 4.650 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C)C1)C(C)C 1760488077 LERYSSDAGFDWMI-UGKGYDQZSA-N 444.023 4.522 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1cc(C)nn1C 1760499691 GRWJANKYYOPGNF-UHFFFAOYSA-N 436.947 4.517 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@@H]1C 1760501014 DXCLNQCDRFEZCE-YSIASYRMSA-N 441.576 4.759 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C)s1 1760502392 XOEYJUUNWVJMAG-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)CCCO2)c1C 1761584408 APESEDLFBUOLMU-NLFFAJNJSA-N 437.588 4.734 30 10 IJEE Cc1ccc(-c2ccc(/C=C3\SC(=Nc4nccs4)N(C)C3=O)o2)c([N+](=O)[O-])c1 1772735722 HWMURSVYDULDJP-NOPVENIWSA-N 426.479 4.854 30 10 IJEE C[C@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)Nc1ccc(F)cc1 1860463821 VKKQLKRDORNMSU-NSHDSACASA-N 428.876 4.633 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C(=O)O)cc1C 1862407552 QQYAJQKXUVXHAH-JOCHJYFZSA-N 449.503 4.613 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862416178 DRHJDTZHWQCYOD-IBGZPJMESA-N 429.806 4.990 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc(Cl)cc(Cl)c1 1862444468 ZDYVDFHTYPGDAG-BMLIUANNSA-N 440.710 4.606 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(C(C)C)cc2)c1 1862493024 GMLNCQLJKVFDNA-DEOSSOPVSA-N 443.547 4.971 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2c(F)cccc2Cl)ccc1F 1862505870 UECJPQCQLVONME-VLIAUNLRSA-N 447.865 4.684 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862539991 CUTFLUMEKKFJPK-RNODOKPDSA-N 443.927 4.993 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862559072 GWDMZXSMXWUAGJ-HSZRJFAPSA-N 446.478 4.585 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 1862583088 SRHCJNAMVNZJRH-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)cc2Cl)cc1F 1862645383 HFKZMUSDCICXDL-SFHVURJKSA-N 436.266 4.882 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc(Cl)c1O 1862681076 QXMKNOYEHAJBDI-IBGZPJMESA-N 447.890 4.818 30 10 IJEE CC(C)Oc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2)C1=O 1862766543 YQGMSOHVPFIYEK-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863315960 ZPWZSIHCCGVRGL-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1cccc2ccccc12 1865131211 JTRTYRRMSSOHKG-QHCPKHFHSA-N 442.563 4.650 30 10 IJEE CC[C@@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 1867048619 HSPZBOUUPWYJJB-XMMPIXPASA-N 432.549 4.538 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](c1ccc(C)cc1)C(C)C 1868844301 VIARYMNRWPWUPP-DQEYMECFSA-N 436.571 4.802 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)COc2ccc(Cl)cc2Cl)n(C(C)(C)C)n1 1870000563 SCSLBZRPERKCGT-UHFFFAOYSA-N 438.359 4.536 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCC(O)CC2)cc1=O 1870414708 XIQFUJNRASDISX-UHFFFAOYSA-N 447.019 4.856 30 10 IJEE CC(C)OCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Br)C3=O 1871345429 UQAJOAIVGPBTKT-JAIQZWGSSA-N 444.325 4.642 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(Cc2ccccc2F)CO1 1871346846 CFVMBGBIQNNZKA-JJFYIABZSA-N 432.407 4.702 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871382130 NTTQOMQFWRNDDH-OYKKKHCWSA-N 443.455 4.513 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4OC)ccc3C2=O)cc1 1871386445 VFDKEVUGTPTOCT-FMCGGJTJSA-N 432.428 4.548 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)c1 1871387247 LIINTIOLTQIYTB-OYKKKHCWSA-N 446.455 4.938 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(N4CCCCC4)CC3)C2=O)c1 1871398194 BWFKQDDCJNHQGC-UQQQWYQISA-N 432.564 4.767 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871448224 ITQAOGANQGYPAE-GLFIFPSUSA-N 431.444 4.813 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)CCC 1872228545 IAFGELSISSKNDO-QFIPXVFZSA-N 428.598 4.892 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872236745 IMOOKMIAAPMCJX-SFHVURJKSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccs1 1872367414 ZVBOTWFIHKQCHV-GOSISDBHSA-N 442.553 4.647 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872452493 DLAUZHCPOMLOJI-SFHVURJKSA-N 441.018 4.940 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c1 1872779046 AFTFMFNISFOJOG-RRGWEWPQSA-N 426.444 4.995 30 10 IJEE CCCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874347143 YJCTXYBLSPLYLD-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874376179 JAMUEGMWCWJUSJ-MFKUBSTISA-N 440.544 4.964 30 10 IJEE C=CCSc1nnc(C2CCCC2)n1/N=C/c1cc(Br)cc(OC)c1O 1874457044 XKNYZNZXPYGIJU-RGVLZGJSSA-N 437.363 4.573 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2C)c1 1874458986 QRKYXNBXSJJRQK-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C(C)(C)C)ccc1OCc1ccc(F)cc1 1874559290 IVFQINZPSIJNTB-ZMOGYAJESA-N 428.533 4.863 30 10 IJEE Oc1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)cc2Cl)cc1Cl 1874569275 PITNQWQDADURMU-IFRROFPPSA-N 429.716 4.694 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 1874669047 VJHRBSQPVFRUKD-RUZDIDTESA-N 449.595 4.994 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(F)(F)F)c2)c(OCC)c1 1874714753 MGDUJAIUJXOIIL-UXBLZVDNSA-N 438.398 4.856 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccc(Oc4ccc(F)cc4)cc3)C2)c1 1891514621 WNBZRLVAUHYCND-IBGZPJMESA-N 431.467 4.816 30 10 IJEE C[C@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)c1 1891881988 RHTSGVVODSXRFE-GOSISDBHSA-N 448.530 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C#N)(Oc2ncc(Br)c3ccsc23)CC1 1903152092 PZMFROGGEUJDFU-UHFFFAOYSA-N 438.347 4.731 30 10 IJEE N#Cc1cnc(Nc2ccc(I)cc2Br)c(Cl)c1 1917229629 BDTKKATZDLZFOM-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1 1941496839 LQTWNRNLTKLVNV-HJPURHCSSA-N 431.533 4.728 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)[C@@H](C)C1 1949368277 ZELMYCRNLOFEKN-SQJMNOBHSA-N 428.621 4.512 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 1990171150 JMKOFOOZEOFPJT-NHCUHLMSSA-N 434.646 4.869 30 10 IJEE C#CC[C@H](C[C@H](O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2019972390 JHHOCCWFTJIMEK-UMFSSWHCSA-N 427.585 4.631 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C#N)c2I)c(O)c1 2079006394 YMCGDKDUUZUTRZ-MRXNPFEDSA-N 435.309 4.670 30 10 IJEE CC[C@H](c1ccc(C)cc1F)n1nc(C(C)C)c(/C=N/O)c1I 2079061859 FTCVPSSBQDCBCS-UPWAIKHBSA-N 429.277 4.866 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@]1(C)COCCN1C(=O)OC(C)(C)C 2081189079 XVVDDPMKHLEXFB-YADARESESA-N 445.560 4.655 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(Br)c1F 2089287295 WKZWUADIAJFTKC-FUHWJXTLSA-N 427.358 4.936 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2124521986 NQKMXVZWFZOSBF-VNCLNFNDSA-N 444.381 4.627 30 10 IJEE CN1C[C@@H]2CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccc(Br)cc3)[C@H]2C1 2152859502 ZCWZMTLOLCLBKU-XERREHJYSA-N 434.378 4.815 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 2159128333 QRKXZBVYTKAORN-HOTGVXAUSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1cccc(Br)c1C#N 2162301043 KGXQQFPKZVGTBP-RTBURBONSA-N 428.330 4.923 30 10 IJEE CCN(c1cc(Br)cc(F)c1C#N)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2174809661 CIGBDIUOMKPUDW-GUYCJALGSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(c3cc(Br)ccc3C#N)C2)C1 2174812798 OXYBZNIEXAUANV-OAQYLSRUSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2c1cc(Br)cc(F)c1C#N 2174813520 XHQVWTNZMFUFFS-GOOCMWNKSA-N 438.341 4.874 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)Nc1ccc(Br)c(C#N)c1 2180925036 ZJVYZZVZOLJBRT-OXQOHEQNSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)Nc2cc(Br)ccc2C#N)CC1 2181107570 JSOFIZSSQZJFRV-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CC1(C)CN(Cc2ccccc2)[C@@H](CNc2cc(Br)cc(F)c2C#N)CO1 2194657334 LZYXBHMGLHRTIV-KRWDZBQOSA-N 432.337 4.551 30 10 IJEE C=C[C@]1(Oc2ccnc3cc(Br)cnc23)CCCN(C(=O)OC(C)(C)C)C1 2198826286 DRSPHPSTSOACAU-FQEVSTJZSA-N 434.334 4.727 30 10 IJEE Cc1c(Br)csc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2234516610 JYRKHUCXGVPWON-UHFFFAOYSA-N 440.143 4.510 30 10 IJEE CCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C#Cc1ccccc1Br 2235749575 LONQXIKQYXZJDM-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CN[C@H](C#CC1CCCCC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2260978618 JSSQUACANSKHAO-XMMPIXPASA-N 439.644 4.718 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2261831806 JENZAAHXAARDJG-PXDATVDWSA-N 447.572 4.655 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2262200116 OFOWWOKJOQQOIJ-OFVILXPXSA-N 447.572 4.799 30 10 IJEE C=CCCC1([C@H](O)Cc2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266318982 XWWXSJGMJXNJQH-QGZVFWFLSA-N 428.342 4.695 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(CNC(=O)OC(C)(C)C)cs1 2278730193 LHMRHVMTFXNMTO-QGZVFWFLSA-N 435.387 4.848 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)cc2Br)[C@@H](C(F)(F)F)C1 2281039305 BAKLUIYJMFBFAT-SWLSCSKDSA-N 448.283 4.745 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2289529474 WWAQVRJDGFJGFK-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296222360 RCWJMAJYFUBCQG-NBCNXNJRSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@@H](N)C#Cc1cccc(Br)c1 2296225829 ZFBMDNNIISNNQP-RBUKOAKNSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296276813 MEXPZBYTICTQLT-ILZDJORESA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2296290350 BSCBMODTWAWCKZ-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CCC[C@H]2N1C(=O)OC(C)(C)C 2296299558 WQWQBVREOFVUGR-AFYVEPGGSA-N 433.390 4.567 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2296310922 PMQWREYVGKQYBW-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@@H]2C[C@H]1CC21OCCO1 2309252890 UVEMPOJRCPHPTK-AUSJPIAWSA-N 449.345 4.626 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)c1 2314474750 LRRYBTBSJXSWSN-JOCHJYFZSA-N 444.512 4.890 30 10 IJEE C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN1C(=O)OC(C)(C)C 2317346385 HULWPMGTYOUDSY-LGNMEBTLSA-N 430.354 4.503 30 10 IJEE COc1cc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc(Cl)c1O 2318571561 NKVFMHCSRGZGBI-UHFFFAOYSA-N 427.288 4.613 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 2321106730 DSYYWMOZYAKNPC-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE Oc1ccc2ccccc2c1C=Nn1c(S)nnc1Cc1ccc(Br)cc1 2322238813 UFESZIJSKDQDID-UHFFFAOYSA-N 439.338 4.661 30 10 IJEE COc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCC(=O)NCc1ccco1 2322339280 YYVJQCSSXXWOCD-UHFFFAOYSA-N 445.515 4.758 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(N(C)C)cc1)C2=O 2322698806 FPDKTIAQJLFIJR-UHFFFAOYSA-N 429.472 4.905 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323603470 IJKPSALTAPTGQJ-UHFFFAOYSA-N 444.414 4.847 30 10 IJEE O=C(CCOc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323679876 JMJMADPJSNVXRT-UHFFFAOYSA-N 431.400 4.586 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl 2324084391 HBUQFMFSOPICKN-UHFFFAOYSA-N 443.927 4.992 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325571954 FGRNJSRYDOXXAM-UHFFFAOYSA-N 449.895 4.811 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)cc1 2325761245 LZHQNTTWILXKDI-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccccc1OC 2326272316 POZWYGCBUGWZSB-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE CCOc1cc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SC)ccc1O 2326492347 JIMBCRWGEKPZLJ-UHFFFAOYSA-N 432.933 4.527 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2N=Cc2c(C)n(CC)c3ccccc23)o1 2326835015 VTQIFWZXCXXOJH-UHFFFAOYSA-N 437.525 4.505 30 10 IJEE C=CCSc1nnc(CCc2ccccc2OC)n1N=Cc1cc(Cl)ccc1O 2328698210 WJQUKNUDOVUXTJ-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE Cc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2328992232 GIFAQDUHFKIOLC-JOCHJYFZSA-N 447.608 4.794 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329120761 DGRMOUQYAXUXKZ-UHFFFAOYSA-N 431.905 4.520 30 10 IJEE CC(C)(C)Cc1nnc(SCCCO)n1N=Cc1cccc(OCc2ccccc2)c1 2330867488 YSDAATJSZSJFDU-UHFFFAOYSA-N 438.597 4.802 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1sccc1C 2331123194 PNGYGRQUASCOQX-UHFFFAOYSA-N 439.488 4.588 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)c1O 2331151998 UCCYGOXYJYLHOD-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C(C)(C)C)cc1 2331382192 ISYUPOWNIOKTDE-UHFFFAOYSA-N 437.569 4.506 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1OC 2331391983 BOFOCUQHEIEMPX-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(OC)c1 2331611781 DACQNCXJUPWHEV-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2334272373 KNNAPUSGJYGYAA-GUDVDZBRSA-N 442.365 4.619 30 10 IJEE C[C@H]1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339595834 LJHUMVDUXYRHBF-QZASHXROSA-N 443.397 4.926 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2358672198 UKLAGVSGTUZFOH-FRYIKTPZSA-N 433.390 4.567 30 10 IJEE CC[C@@H](NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363842913 CKSHDQRJFLERTC-ZEQKJWHPSA-N 448.460 4.939 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21 9171329 PUHZHLUFVHRALG-UHFFFAOYSA-N 436.533 4.578 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 23739135 UVVWRGPRQXZNRZ-SAPNQHFASA-N 438.574 4.989 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(CC)s2)cc1 35490637 VEKDDWRAZIJVTQ-HXUWFJFHSA-N 445.500 4.522 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc3ccccc23)s1 35568537 DEJHLTMHXMXRTD-UTKZUKDTSA-N 448.544 4.670 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)c3oc4ccc(F)cc4c3C)c(C)c(C#N)c2=O)cc1 38624488 CVICXDDXMZKMBS-UHFFFAOYSA-N 430.435 4.515 30 10 IJEE Oc1ccc(Br)cc1/C=N/Nc1nnc(SCc2ccc(Cl)cc2)[nH]1 59016941 YGQMPBCDAMBDCC-UFWORHAWSA-N 438.738 4.665 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C2/CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 59607541 NQNGZVUKAFQWRI-SYXQGRFGSA-N 438.593 4.891 30 10 IJEE Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cccnc2N/C3=N\C2CCCC2)c(C)c1 96309734 WFAFBXKMYUNWDI-UHFFFAOYSA-N 432.572 4.944 30 10 IJEE biogenic CCOCCN1C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)S/C1=N/c1ccccc1 101645967 RNMFSXGIINYFAT-FTNPDODUSA-N 433.533 4.823 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 102492502 QEAYSRDIFDOMEN-RKKARLDVSA-N 444.443 4.620 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(O)/C=C/c2ccccc2)[C@H]1c1ccccc1Cl 103088885 GORRAJAFVGSUAJ-IONABEHBSA-N 438.955 4.660 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)cc1 169957123 NOKNDHWMEOQUPM-XMMPIXPASA-N 446.547 4.599 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)cc1 169963221 UOBKDGNDGQKVQY-HSZRJFAPSA-N 435.439 4.528 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccncc1 170015982 CBNSAGFQQZGTAW-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1 170023857 YAGCQTBYJGBRDV-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(F)cc2)s1 170065896 WNWPJWNHHALJJV-SFHVURJKSA-N 448.479 4.558 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccc(C(C)C)cc1 170065911 CRBYISJGHMLDLM-QHCPKHFHSA-N 437.536 4.822 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)c(C)c1 170098025 JJBKIRPZUGGXIJ-HXUWFJFHSA-N 446.484 4.989 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccccc1 170227837 NGYXBWVRSNQOME-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@@H]1CCCO1 170273603 FRZGTJHMRYDLAV-CYFREDJKSA-N 427.500 4.906 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccco2)c1 170279292 CUVGLJLSTBGHLX-QFIPXVFZSA-N 432.476 4.527 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 170442553 GRKJMSFSJOLTSR-JOCHJYFZSA-N 437.536 4.531 30 10 IJEE CCOc1ccc(/C=C2/SC(=Nc3ccc(C(=O)O)cc3)N(CC)C2=O)cc1OCC 254506181 NFIHLFPFUHWHEZ-ZOAXWHFDSA-N 440.521 4.806 30 10 IJEE N#Cc1ccc(Nc2ncc(Br)cc2Br)cc1Br 310962702 DXLBTLJLPVJHPJ-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE C=CCC[C@H](NC(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccccc1 435743515 AKOMRHPMUNAPOO-FQEVSTJZSA-N 442.441 4.653 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SC[C@H](O)Cc1ccccc1C(F)(F)F 443459073 BVVFIRYBKDBXQG-GOSISDBHSA-N 433.499 4.769 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCCC[C@@H](CCOC)C1 460951409 WNRRWZAIBGYSOW-IBGZPJMESA-N 430.618 4.798 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 460959716 NZTSPZFTJWBJBO-LJQANCHMSA-N 428.993 4.875 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO1 461045355 QGBSFRJNFOKOMT-MRXNPFEDSA-N 429.977 4.735 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 508812586 LGTCTBCQAMQMSZ-JTSKRJEESA-N 429.499 4.785 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 508863426 INUOOHZGSKHQED-NQIIRXRSSA-N 436.581 4.731 30 10 IJEE CCOc1cc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526604254 MGXBQKNEXHVPRF-XMMPIXPASA-N 442.471 4.728 30 10 IJEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccc(OC(C)C)c1 526831126 HEDCWOUJXZDKPA-FMCGGJTJSA-N 442.541 4.706 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H]2CCCO2)CC1 549879664 ICOWSAWJGYLWHN-FQEVSTJZSA-N 435.597 4.958 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)cc1 555147591 OYJMVTSOLDECLW-IBGZPJMESA-N 431.540 4.605 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 579617298 MPERVCXTQUZHIQ-UHFFFAOYSA-N 447.583 4.572 30 10 IJEE Cc1csc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 609053921 YPLQGPSCFYQDAN-KBXCAEBGSA-N 438.940 4.576 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670234516 BHRCFHYPWMTBAR-PMACEKPBSA-N 438.551 4.788 30 10 IJEE COc1nsc([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c1Br 690151302 MQBPJXBLGLMFSW-LLVKDONJSA-N 444.376 4.978 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)CSCc1ccc(Br)cc1F 741643073 LRCBBMGSIUUCIZ-UHFFFAOYSA-N 426.282 4.611 30 10 IJEE Cc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c(C)n1-c1ccc(C#N)cc1 741710736 HIMYTDNADTVVJN-GBXCKJPGSA-N 432.593 4.840 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccccc1NC(=O)c1ccccc1 744568294 TZTFYSLEFPKESW-GOSISDBHSA-N 448.544 4.761 30 10 IJEE Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)c1cc2ccccc2n1CC#N 770779138 SKWPANUXXLAEGE-UHFFFAOYSA-N 444.535 4.871 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@H]1CCc2cc(Cl)ccc21 803238328 YRTGRPMQSNWPIX-AWEZNQCLSA-N 428.819 4.654 30 10 IJEE C[C@@H](Sc1n[nH]c(NN=Cc2cccc(Br)c2)n1)c1nnc(C2CCC2)o1 1084134003 RFJHLFCXAUKCKE-SNVBAGLBSA-N 448.350 4.517 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)C(F)(F)c1ccccc1OC(C)C 1124533823 GXCZXRWTXCZRLM-UHFFFAOYSA-N 434.435 4.695 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 1124882032 HDALATAPSMUWJO-UHFFFAOYSA-N 435.376 4.870 30 10 IJEE Cc1nc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)sc1Cc1c(F)cccc1F 1128441416 ACQRQFGTBKLBKV-UHFFFAOYSA-N 449.486 4.939 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1 1129115563 NTWWVQHDJCNNJX-UHFFFAOYSA-N 436.851 4.960 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(I)c(Cl)c1 1129784890 UXZNCNUVQDJSLF-HNNXBMFYSA-N 425.697 4.862 30 10 IJEE Cc1ccc(Oc2ccccc2CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1129836565 AIEWQJDMVXNIDN-JOCHJYFZSA-N 443.522 4.983 30 10 IJEE N#Cc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cnc1C(F)(F)F 1132146145 HEQHIJYVMQVEOA-UHFFFAOYSA-N 442.319 4.592 30 10 IJEE C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)C(=O)OCC 1132192350 FDABSORVSQILQI-BDTNDASRSA-N 427.928 4.560 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C 1141402785 ZWSGSOKDHGMPSK-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C=CCc1cc(CNC(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1142602483 AMKYSGRPZXQVLU-QFIPXVFZSA-N 425.569 4.860 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)C(=O)OC(C)(C)C 1143500293 QZVVFJWUQQTBPW-UHFFFAOYSA-N 449.482 4.975 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 1151423147 CNTJKPNDJQCONF-LJQANCHMSA-N 437.005 4.730 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3ccc(Cl)cc3F)C(C)C)n[nH]2)c1C 1153950523 NHVUWIPCKHJZLM-NRFANRHFSA-N 429.927 4.996 30 10 IJEE C#CCN(CCCC(=O)Nc1c(C)cc(C)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1176129985 PFYABRVPSWUMAE-UHFFFAOYSA-N 441.616 4.665 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(C)(C)C 1183636063 IZMLRHBPUSMRST-SFHVURJKSA-N 439.364 4.572 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2ccc(/C=C/c3cccc(OC)c3)cc2)c1 1190688749 XINRXGRKOYVRPP-ZHACJKMWSA-N 449.528 4.549 30 10 IJEE COc1ccc(CN(CC2CC2)C(=O)Nc2ccc(C#N)c(Br)c2)c(OC)c1 1205019592 DBSBSZLMDRMFNK-UHFFFAOYSA-N 444.329 4.782 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1 1208012764 ZPJBRJMJJWSOEQ-KRWDZBQOSA-N 429.948 4.794 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)c1c(Cl)cccc1Cl 1208089357 FUZACKFPZJTARP-SECBINFHSA-N 428.117 4.948 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(F)c(F)c1 1222254779 SEBGPAFQOSHRQJ-QUCCMNQESA-N 433.886 4.730 30 10 IJEE C#CCOc1ccc(CNC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 1251291851 VXVXBQKWNZZQRP-OAQYLSRUSA-N 446.469 4.779 30 10 IJEE C#CCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1251568596 VWVPNFUZTQCQMY-DENIHFKCSA-N 427.589 4.792 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1 1264929201 BUGLGJPQDOJDNA-UHFFFAOYSA-N 449.392 4.799 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCSCC 1286361226 ZAZDQGXDHBYZJD-OALUTQOASA-N 449.665 4.731 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC=CCC1 1286459519 NYVGABLGUUMVAH-FQEVSTJZSA-N 447.608 4.819 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCC(=O)NC1CCCCC1 1286567347 UPKNTCXAIGYBPH-UHFFFAOYSA-N 435.572 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1nnc(C(C)(C)C)s1 1286582659 BPZYPISSAMYREB-UHFFFAOYSA-N 449.628 4.881 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC(OC(C)(C)C)CC1 1286613001 MYJWUPXWLIESDW-UHFFFAOYSA-N 442.604 4.542 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 1286680996 HMGKYOJJKPFJPZ-ZVDOUQERSA-N 449.624 4.722 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(F)F)CC1 1286693990 HZEPDDRBNHSQMG-UHFFFAOYSA-N 435.588 4.629 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnc(C(C)C)nc1 1286702899 TYGKJKVGQZOOSR-UHFFFAOYSA-N 426.515 4.663 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1286730747 MNVGJDWDXILLEF-NRFANRHFSA-N 437.613 4.686 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1C)C(C)C 1286752089 WUTOSQIPKQAFEB-AZUAARDMSA-N 429.012 4.681 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2sccc2[C@H]1CC 1286769070 OSIBWMZOPKBHET-GOSISDBHSA-N 441.988 4.623 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1286971245 GUOVLFOKGCDSIW-VIQWUECVSA-N 443.567 4.576 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@](C)(OC)CC2)CCCCC1 1299754542 FBRMYRPZXZLNQM-XMMPIXPASA-N 437.588 4.561 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1ncc(C)s1 1300324445 FPBHQOZAOXHWCG-DLBZAZTESA-N 425.627 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC(F)(F)F 1300799264 ZLNBDOSOTBWGJK-OAQYLSRUSA-N 436.478 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](OC)C(C)(C)C)CC1 1301073209 YCLAIVVKQCRWEJ-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1301169911 IVBCTKSICIRRGJ-QFIPXVFZSA-N 434.588 4.558 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1301420989 MTQZAAYPUDVHAT-RTBURBONSA-N 433.478 4.749 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1301618713 WNOATSBPUCPIOJ-OAQYLSRUSA-N 439.673 4.641 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(CC)cc1)C(=O)OC 1303685438 CQPJBAFYFNXELV-QHCPKHFHSA-N 431.536 4.729 30 10 IJEE Cc1oc(NC(=O)CN(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C#N)c1C 1307441703 AFXCAUIGHDHSCX-VWKPWSFCSA-N 437.540 4.762 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 1307594494 FKOJLRGSCXWMIB-FZTQNYJHSA-N 442.551 4.661 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1OC 1308332767 DCXBEYNXFXBFOV-PZJWPPBQSA-N 449.364 4.697 30 10 IJEE O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H]1c1cccc(F)c1 1309238785 AGWZHVJPHVQFPQ-HNNXBMFYSA-N 427.341 4.999 30 10 IJEE C=CCCC(C)(C)CNS(=O)(=O)c1c(Br)cc(C)cc1Br 1309746074 FSGCAHNSQVZKOB-UHFFFAOYSA-N 439.213 4.791 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)CC2)cn1 1310217503 GFOHGFLNDGRALK-UHFFFAOYSA-N 433.899 4.753 30 10 IJEE CN(C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1c(F)cccc1F 1314649994 FWJIRQYIUJCPPM-YKSBVNFPSA-N 442.558 4.647 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)cc1 1356330056 NMPVMQUBILKJLK-UHFFFAOYSA-N 440.956 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCSC1 1358881374 FHAWBMMQNSWOIX-PMACEKPBSA-N 426.630 4.971 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C2CCOCC2)C1 1358907880 DZJQWRDAJNDHJO-LJQANCHMSA-N 442.991 4.664 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1358909852 UMPJQYWGDCELSD-JOCHJYFZSA-N 431.540 4.502 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)CCC(C)C 1358940426 XELWYDFTXXIMQL-DEOSSOPVSA-N 437.613 4.634 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1OC 1359003260 FEASTPYOACWFCI-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N(C)C1CC1 1359064576 WAEKFACKOZBJBC-LLJLJFOGSA-N 442.007 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(F)(F)F 1359065391 PPCBOKPAJXKRIT-JOCHJYFZSA-N 427.474 4.907 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(F)c1F 1359074490 GJHRGSWKMQDVEJ-IOZGHAEBSA-N 442.554 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N(CC)CC)nc1 1359109998 WVDFNGZIAGALOP-UHFFFAOYSA-N 439.995 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1359114212 CJJZQOAYCVBAQK-UHFFFAOYSA-N 445.583 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cc2ccccc2s1 1359116909 LJVQPJMMQWUVBZ-UGKGYDQZSA-N 440.613 4.862 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCCCC2)CC1 1359159476 XDKCMUGPLPQXQF-HXUWFJFHSA-N 427.568 4.590 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1359192859 QILFPQGGNPWJLY-DUXKGJEZSA-N 428.552 4.837 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1359193503 FKGFYYYHYBOUEM-JSRBNTPPSA-N 437.632 4.799 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 1359195399 LSIWXWRJQQDRKW-RTBURBONSA-N 436.522 4.994 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1359234592 UMWKOUHBHDIAHN-FUHWJXTLSA-N 446.437 4.759 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1CC1CCN(C2CC2)CC1 1359255755 JHWGZXBPLIDBCM-FQEVSTJZSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CC(F)(F)F 1359260300 ZGRITPZUESYBPX-UHFFFAOYSA-N 425.817 4.888 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(Br)cc2)C1 1359314106 WCEYSMJUWDCYFH-QFBILLFUSA-N 433.394 4.578 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N[C@H](C)c2ccccc2)C1 1359316781 WJXXNCGREQCFIC-IRLDBZIGSA-N 449.599 4.757 30 10 IJEE C=CCCn1cc(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)nn1 1435496882 HWRSSKJKPTVEOU-LBPRGKRZSA-N 446.374 4.540 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 1440652858 UWPKMEKNNCHZEP-UHFFFAOYSA-N 434.992 4.937 30 10 IJEE C#C[C@H](NC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)c1ccc(Br)cc1 1450279234 XQLKGAIWQPXIPF-SFHVURJKSA-N 441.256 4.538 30 10 IJEE CCOc1ccc(-c2nc(CC)c(C(=O)N(CCOC)Cc3ccc(C#N)cc3)s2)cc1 1455937715 CLUDWPKZBWGPKH-UHFFFAOYSA-N 449.576 4.932 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@]2(C)Cc2ccccc2F)n(Cc2ccco2)c1C 1460288277 AQGWVVKIJPXMLU-SANMLTNESA-N 448.542 4.793 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccc(Br)cc1 1463773792 GZOQGLGSGVVHEL-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE C#CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCCc2ccccc21 1468794154 KVSTWGIWRSBGMM-ZEQRLZLVSA-N 447.579 4.975 30 10 IJEE C=CCn1c(SCc2cn(-c3ccc(Cl)cc3)nn2)nnc1-c1cccc(OC)c1 1472999337 NDRXFPDNWKSVAD-UHFFFAOYSA-N 438.944 4.666 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 1474919499 AOAPGSXQBABACS-KRWDZBQOSA-N 426.460 4.651 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(Cl)c1 1507566700 KLIZVYULIGKCEC-UHFFFAOYSA-N 432.959 4.610 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507566888 MPAOQDVDOKLAPG-XMMPIXPASA-N 430.600 4.636 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccsc1 1507676039 IDNAKNUSVZKDEW-UHFFFAOYSA-N 445.375 4.737 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCN1CCC[C@H](C)C1 1507701904 CTHFOLNCVIKWIY-NRFANRHFSA-N 437.607 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(CCC)C1 1507763764 FOIPXDPGHKRCHQ-QHWMMSMNSA-N 449.643 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC1CCCC1 1507797254 RSITUTAOHQSGJT-CVDCTZTESA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)c2cccc(OC)c2)CC1 1507901194 CULHKUSNNCKQRQ-UHFFFAOYSA-N 431.584 4.653 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2ccsc2)N(C)C)CC1 1507902655 ZJAUGIZKTNDIOO-QHCPKHFHSA-N 435.641 4.944 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC(F)F)cc2)CC1 1507904202 LAZHCZFDGAZEKO-UHFFFAOYSA-N 445.539 4.686 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1SCCc2ccccc21 1507928026 BSBUFKDVXYQIPV-RBBKRZOGSA-N 426.630 4.995 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(C)(C)C)cs1)C1CC1 1507989648 GSESQMKDADFNSU-UHFFFAOYSA-N 432.597 4.968 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCCC2)C1 1520129718 AMNHTFGMOVILMY-NRFANRHFSA-N 439.629 4.624 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)CCCN1C(=O)OC(C)(C)C 1526600641 NJEMBBPTRTXVIH-HFZDXXHNSA-N 442.600 4.822 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 1526883091 DOMBQAJFKFIUJX-HNNXBMFYSA-N 432.442 4.888 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2cc(Br)ccc2OC)n1)c1ccccc1 1529738477 YJBXTSIYCBJJAH-MRXNPFEDSA-N 427.323 4.686 30 10 IJEE C=C[C@H](OC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC)c1ccccc1 1532387743 OERBDSCBFTTZNY-QHCPKHFHSA-N 441.483 4.966 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1ccccc1C(F)(F)F 1532997722 FWKWBUKWZKMFPH-HSZRJFAPSA-N 445.485 4.851 30 10 IJEE C=CCCC[C@@H](NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccccc1 1537027300 WOFMEQUWIHHURA-LJQANCHMSA-N 445.489 4.906 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)[C@@H](Cc1ccccc1)C(=O)OCC 1537317245 NZHWVCZEQWFNBS-DEOSSOPVSA-N 434.511 4.634 30 10 IJEE Cc1c(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1538426318 DGZXRGOZUXSIQL-AEFFLSMTSA-N 427.570 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(N(C)C)cc1 1538984148 CAOPNPTUBOESGA-MOPGFXCFSA-N 447.652 4.898 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC=C(C)CC1 1539081586 CHZQNANRIKWCOJ-UHFFFAOYSA-N 429.362 4.580 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccccc1 1539185333 CAKSHYVCPTUICX-YTTGMZPUSA-N 445.544 4.947 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC=CCC1 1539278740 KGYNUICCLVZEET-KRWDZBQOSA-N 429.351 4.593 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Oc2ccc(NC(=O)c3cccnc3)cc2C)cc1OC 1539538299 IIWDBURGVZOZPY-XYOKQWHBSA-N 444.487 4.835 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)[C@@H]1CC 1539600918 VCNMMQVSYNRMOI-SJCJKPOMSA-N 425.321 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cscc1C 1539682076 GLIXGYNPBKHATN-IZAXUBKRSA-N 445.633 4.869 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc(C)c2C)CC1 1539723730 ZARGBZQXYBBFDG-FYYLOGMGSA-N 437.632 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)CC 1539902350 FHCILTJSGWYCQL-KRWDZBQOSA-N 446.665 4.631 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)C1CCC(C)CC1)c1ccccc1 1539946596 CMSKDBIZXWSNDQ-APKLWFBNSA-N 435.616 4.775 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1540035531 DPMWZRIHTGYNEU-UHFFFAOYSA-N 429.512 4.640 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1N(C)CCCC1(C)C 1540134058 NKMGYUIEIAAEAF-HSZRJFAPSA-N 448.590 4.792 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSCC1)C(C)C 1540147137 JCMMQIJDWORSGC-OAQYLSRUSA-N 446.064 4.850 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCC1 1540155600 YYCOVVNGBSDIQZ-UHFFFAOYSA-N 430.600 4.627 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)CNC(=O)Nc3cccc(Cl)c3)c2)cc1 1543115969 BLSRCKHKECPWDK-UHFFFAOYSA-N 448.910 4.745 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]32)s1 1544144307 CYXFSJVCJAIZGI-FSPWUOQZSA-N 425.406 4.947 30 10 IJEE C#CCN(CC#CC)C(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 1544750153 DRDFYZQKRSALAV-UHFFFAOYSA-N 429.545 4.590 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1(C)CCCC1 1545845402 FSEMLXBFVPRALO-UHFFFAOYSA-N 448.615 4.817 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)c1ccccc1 1557749700 QYGZPWFINOQJSD-DLBZAZTESA-N 429.358 4.566 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(OC)cccc1OC(F)(F)F 1558002232 FHTXHARIGJTIHI-LLVKDONJSA-N 438.830 4.568 30 10 IJEE COc1ccc(C(=O)CC(C)(C)CC(=O)Nc2ccc(Br)c(C#N)c2)cc1 1558554413 AOVWGIPUQHBNBX-UHFFFAOYSA-N 429.314 4.957 30 10 IJEE C=CCN(C(=O)CN1CCCC(=O)[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1560195398 QRXNLAKROMHUBX-CYBMUJFWSA-N 438.380 4.689 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3cccc(Br)c3)CCCCC2)cc1 1561323889 ICXYAYBGIDSWCO-UHFFFAOYSA-N 433.371 4.501 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc23)c1 1561776486 ZBVDQQHVPHSUDI-SANMLTNESA-N 448.588 4.542 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1563678824 VSSCKUGPMVPCJL-PMACEKPBSA-N 441.547 4.659 30 10 IJEE C#CCN(C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1)[C@H]1CCCc2ccccc21 1564025031 GGGWGBRELWXGPR-GMAHTHKFSA-N 431.536 4.599 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2cc(Cl)ccc2Oc2ccccc2CC)C1 1565346690 VWDAPOQSIBEBFZ-JOCHJYFZSA-N 439.987 4.934 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2c2ccc(F)cc2F)nnc1-c1ccco1 1584984376 BETBJUWRTQSZLZ-SFHVURJKSA-N 444.507 4.848 30 10 IJEE C#CCN(CC(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1587528528 YSNUNAKHFKGXCX-JOCHJYFZSA-N 444.934 4.897 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)C)cs1 1587561950 JFAUCPMJILHGHR-HOTGVXAUSA-N 427.549 4.643 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1588276672 VAPRRBMHAKNHFP-DCFHFQCYSA-N 444.627 4.772 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C/C=C\CC)CC1 1588768300 DHLMIDDAQXSPOA-WAYWQWQTSA-N 435.572 4.534 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1593620541 DPJPIUQTXRRBSD-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1594492177 UMRJXTKTFVGXDF-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1cc(C)oc1C 1594857812 QOHWPHAXMQHREP-NLFFAJNJSA-N 438.572 4.775 30 10 IJEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1594961623 DHIVGSCONBRWKA-JRGCBEDISA-N 440.588 4.643 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCS1)C1CC1 1595021061 RNGQFAKWHHAJEV-FQEVSTJZSA-N 425.602 4.588 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[C@@H]1CC 1595276323 ZDAAIGIZCYHQFW-JKSUJKDBSA-N 436.398 4.501 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 1595613872 JYBPLBKKJXSNHI-UHFFFAOYSA-N 439.648 4.648 30 10 IJEE Cc1ccc(Oc2ccc(OCC(=O)NC3CCN(c4ccccc4C#N)CC3)cc2)cc1 1596109582 GQOXWGGYQGFGME-UHFFFAOYSA-N 441.531 4.823 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccccc1OC 1613215517 OIVPBXDRPHWLIV-HXUWFJFHSA-N 441.528 4.545 30 10 IJEE C=CCN(C)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(NCCCC)nc3[C@H](C)[C@@H]2[C@@H]1O 1616132393 DNQGGGGKIZJULK-JXHOVXJOSA-N 433.662 4.689 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1623360185 RJDMNFXATVNGLK-CLOONOSVSA-N 430.548 4.778 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1)c1ccccc1 1623956934 DAUMEMMIVVAGMP-HSZRJFAPSA-N 437.584 4.885 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)OCC 1625185005 YPFCAYDJFZXERL-QGZVFWFLSA-N 432.860 4.668 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2cccc(C)c2)CC1 1625539254 TXTGUGZMRLSOTQ-UHFFFAOYSA-N 430.346 4.676 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)c1 1625596863 KZXUFITWYOIHHO-HXUWFJFHSA-N 436.360 4.672 30 10 IJEE C#C[C@@H](C)NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1625828768 XFXHDNVJZJNWEH-BCHFMIIMSA-N 438.527 4.794 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2(C)CC2)c1 1627235158 BUJPXKSSRUSIRM-INIZCTEOSA-N 432.973 4.640 30 10 IJEE C=CC(C)(C)NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1627533500 UJALBPPXJGOERR-UHFFFAOYSA-N 432.446 4.515 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 1628895142 MTTTXFBDVPPBOI-AREMUKBSSA-N 438.531 4.655 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)CCCC1 1629246610 BRPROCXZEJADPX-UHFFFAOYSA-N 440.609 4.730 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2nc(O)n(C3CC3)c2c1 1630579196 HXJKFXAPXNBFHV-CYBMUJFWSA-N 428.414 4.650 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1 1633040999 YVZXRFYJUSSIRQ-FQEVSTJZSA-N 442.357 4.819 30 10 IJEE C=CCC[C@H](NC(=O)NCc1nc(CN(C)C)cs1)c1ccc(C(F)(F)F)cc1 1633471093 MLQDEFMJBTXYTM-KRWDZBQOSA-N 426.508 4.730 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c1 1636158373 NXEKQZKYGSQQPG-SANMLTNESA-N 426.516 4.542 30 10 IJEE C#C[C@@H](NC(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 1636547544 CPBCKXRMNBOEJF-RUZDIDTESA-N 432.495 4.799 30 10 IJEE C=CCN(C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)[C@H](Cc1ccccc1)C(=O)OCC 1638618127 WFBOVVJKGIYJKT-OAQYLSRUSA-N 444.453 4.989 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@@H]3CCN(c4cccc(Br)c4)C3)n2)c1 1639841259 DFRRUFWANRXLJI-QGZVFWFLSA-N 436.313 4.594 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1c(C)nn(-c2ccccc2C)c1C 1641591708 IIEMPZFHCOYHJG-NRFANRHFSA-N 436.625 4.894 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(c3ccc(Cl)cn3)CC2)CCCN1C(=O)OC(C)(C)C 1644149512 HAWPIFBKXOERKA-QHCPKHFHSA-N 433.980 4.787 30 10 IJEE C#Cc1ccc(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)cc1 1648498808 SHFXKSDNHXWZTQ-UHFFFAOYSA-N 432.526 4.936 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)C[C@H]2c2cccnc2)n(-c2cccc(F)c2)c1C 1653379547 DNMDZOGYGOUQAF-MWTRTKDXSA-N 431.515 4.522 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCN1Cc1ccccc1 1658965881 CJYSGHITXUTUBT-DEOSSOPVSA-N 440.547 4.842 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)cc1 1665970077 VSYBNRYUVKNJMH-NRFANRHFSA-N 429.586 4.710 30 10 IJEE C=CCN(C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)[C@@H](C)COC 1667161358 ISLLJCSCRVHTFP-INIZCTEOSA-N 449.473 4.690 30 10 IJEE C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1Oc1ccccc1 1668001775 HVKPSXXBDQWCCA-NQIIRXRSSA-N 428.492 4.669 30 10 IJEE COc1cc(OC)cc(Oc2cccc(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)c2)c1 1677825487 AAGXFRXNZCWSTC-QGZVFWFLSA-N 431.492 4.928 30 10 IJEE C#CC[C@H](NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 1681648925 QNVKASMKQSTTSD-LADGPHEKSA-N 426.495 4.981 30 10 IJEE C#C[C@@H](NC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1)c1ccc(Cl)cc1F 1683517084 POFQPCQYXWCBKL-MRXNPFEDSA-N 427.690 4.933 30 10 IJEE C=C(C)[C@H](NC(=O)NC1CC2(C1)CC(NC(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1686173127 BVPCRZADQJWBAC-NUELFQHUSA-N 435.515 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)C(C)C 1689828562 PIZKEUCDHLXRJO-YZZKKUAISA-N 432.996 4.553 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C(F)(F)F)cs1 1689839468 HPFFWJVHTYEFHB-SNVBAGLBSA-N 443.857 4.719 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCSc1nccs1 1689843632 ZJKZPPUDNKWVBR-MRXNPFEDSA-N 434.594 4.590 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1689900897 UOIWKBWGZWSZJW-NRFANRHFSA-N 441.000 4.965 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccoc1 1690033515 ZKRFFABGEJEZOK-LJQANCHMSA-N 436.943 4.793 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(CC(C)C)c1C 1690066670 LONVGVDMFRQFER-UHFFFAOYSA-N 445.398 4.921 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C)C1CCCCC1 1690070749 GNDQTYSSPONUHU-UHFFFAOYSA-N 432.616 4.551 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCCc1nc(C)cs1 1690079224 YPMMGMXREXQYPK-UHFFFAOYSA-N 428.005 4.770 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCOc2ccc(F)cc2)CC1 1690379006 HRWSVOJHYBEDCR-UHFFFAOYSA-N 441.576 4.789 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1c(C)noc1C 1690420601 PWHKPQZQADMOTE-UHFFFAOYSA-N 439.560 4.806 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@@H](C)C1CCC1 1690460956 RMWGCFWOVATVOQ-SFHVURJKSA-N 434.588 4.563 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690611390 KRTMQBRRDWCBNM-MSOLQXFVSA-N 438.494 4.886 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(C(F)(F)F)c1 1705483925 FRWQNQFYVNTALR-GFCCVEGCSA-N 437.828 4.658 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1705511515 WXSMWYKTFSXSRX-QUCCMNQESA-N 438.572 4.543 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1705695239 AWUXVWKPLQOCQL-HNAWSFBYSA-N 432.515 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1705707417 KWBIYXMDDAKYGA-PWIZWCRZSA-N 434.943 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C)=C(C)C1 1705708593 DYRCALVPHNRUCR-CVDCTZTESA-N 426.536 4.524 30 10 IJEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1705725630 LNANZJFHRWYBBY-QFBILLFUSA-N 439.585 4.891 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC[C@@H](C)N2CCCCC2)CC1 1705783797 UWTNBCXGNWIAPH-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CC(C)C)C1)c1ccccc1 1705797922 GPSJJKMKZSLPSL-GGAORHGYSA-N 435.616 4.633 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705801044 QZCKAVVGFMYYPQ-UHFFFAOYSA-N 434.519 4.540 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCN1CCC[C@@H]1C 1705860568 KDNQYTYVNBDOKW-NRFANRHFSA-N 432.616 4.559 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1705949418 YICZNVMVDBTEIB-WIYYLYMNSA-N 428.602 4.554 30 10 IJEE CC(C)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C#N)c1cccnc1 1706077200 GVWIHWDPDMOAME-CVDCTZTESA-N 441.583 4.781 30 10 IJEE CC(C)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 1706370383 DVHLEDFVHMNPSA-UHFFFAOYSA-N 447.505 4.537 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1722347252 FIWOVZYMBNLGBN-UHFFFAOYSA-N 439.604 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@@H](C)C1 1722388650 GVSHRTTXHWSVAK-VQTJNVASSA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1722416776 SJDCLMILNHFMHS-IAGOWNOFSA-N 433.021 4.887 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1722470595 VWKZUJSOQMCOQQ-HSZRJFAPSA-N 426.008 4.855 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCc2sccc2C1 1722521765 VHPFPEGPEVSQGK-UHFFFAOYSA-N 445.386 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](C#N)C1 1722584703 IGBBIKIHDWJNAE-LJQANCHMSA-N 448.596 4.708 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](COCC)C1 1722607466 VAUQSHVTTGEZNW-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)cc1F 1722611465 XYQCMEQLFLMLMK-UHFFFAOYSA-N 436.304 4.917 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1cccc(OC)c1)C1CC1 1722646118 IRYTVRSQDJPRFC-INIZCTEOSA-N 439.947 4.624 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1CCC(OC)CC1 1722655256 KJJUSVUVJAZGFC-UHFFFAOYSA-N 444.583 4.553 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccsc1 1722663680 FJIMPTXYLAFSOB-SIKLNZKXSA-N 444.626 4.743 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccc(F)cc1)N(C)C 1722674723 GMFNHOZYQDWSPJ-QFIPXVFZSA-N 439.579 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cccs1 1740559032 ZUAMZMUWXGRMJT-CQSZACIVSA-N 435.380 4.926 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCCCC2)C1 1740585024 NIBBCGIWCNYBRG-FQEVSTJZSA-N 440.563 4.900 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1740713430 LGADMMBOJFVTIY-RBUKOAKNSA-N 442.629 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1740774077 LEYLTMFRAQEMNG-IBGZPJMESA-N 437.519 4.559 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2cccc(Cl)c2)CC1 1740841154 SBGJJJIWRRLTFX-UHFFFAOYSA-N 444.004 4.769 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1740842352 WIRHGCXTACCZAA-RDPSFJRHSA-N 442.579 4.850 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)S[C@@H](C)C1 1740846518 BPMZAHCXWCNBBV-IRXDYDNUSA-N 430.618 4.895 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(C#N)o1)C1CC1 1740913999 YBKIPTKVTGBFLX-UHFFFAOYSA-N 425.945 4.892 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N 1741123930 CDXTYKBQZMWGIH-WKRCXCSHSA-N 445.995 4.728 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@](F)(C#N)C1 1743438240 DPBITWPBKLRRIN-DEOSSOPVSA-N 437.519 4.995 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F 1748722195 VGSIYDJYOAKWKU-UHFFFAOYSA-N 427.474 4.723 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCC(F)(F)C1 1748944030 IZWIHVAHJWAGQF-SFHVURJKSA-N 425.458 4.554 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CC1CC1 1749026613 FBEMNRGLVBDNFV-UHFFFAOYSA-N 433.419 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC1CCOCC1 1749080906 XNHVVRIXULOIPR-JOCHJYFZSA-N 431.005 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749357416 POCMJWBXXLIXCG-OALUTQOASA-N 442.604 4.957 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1749375900 KXYPMJWBPPNRLY-XMMPIXPASA-N 437.613 4.664 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C(=O)OC)CC1 1749391645 ZARPJLLQJUNQCM-KRWDZBQOSA-N 442.629 4.877 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1749414199 AXHOACKVPQQELR-IBGZPJMESA-N 431.531 4.577 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2csc(C)n2)CC1 1749419787 PODKAQATRKIREK-UHFFFAOYSA-N 443.020 4.652 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C2CC2)C1 1749448277 XNOWRGFWGDVLTR-SFHVURJKSA-N 431.378 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1749473241 BXUKAPIMUZQPKA-SGXKBVARSA-N 445.405 4.579 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749763929 NLXQYBNMMLSDCK-ICSRJNTNSA-N 432.659 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ncc(CC)s1 1760104094 RSMZCNMJIJBIPH-GJZGRUSLSA-N 425.627 4.657 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760247126 PETBDAMZYAGCLC-BKMJKUGQSA-N 438.616 4.676 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCSC2(CCCCC2)C1 1760276593 IYNKYFSSQPJOIR-UHFFFAOYSA-N 448.061 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC1CC(F)(F)C1 1760293567 ZOHNEWSXEHURHB-LJQANCHMSA-N 435.316 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)CCOc1cccc(Cl)c1 1760316747 WPARSNVQRAHKOZ-UEXGIBASSA-N 432.996 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1760340593 GBAJSQSXHVHDTR-NZQKXSOJSA-N 439.648 4.997 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1760398512 BBWDRDKUZICONP-FQEVSTJZSA-N 441.526 4.830 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccccc1C 1760420963 ACHCRTHHJQDCJW-NRFANRHFSA-N 430.556 4.932 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)CC1 1760447636 OOPVNTPZFSHFHE-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1761069409 CWUQTLPPWZIAAM-SFHVURJKSA-N 440.592 4.554 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N 1766349755 CPVCXQOHMDDNDN-IIDMSEBBSA-N 432.366 4.577 30 10 IJEE Cc1cc(I)ccc1NC(=O)C(=O)/C=C/c1ccc(C(C)C)cc1 1860722810 TYIHTKSBWSLADE-IZZDOVSWSA-N 433.289 4.944 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)Cc3cnccc3-c3csc(S)n3)c2C#N)C1 1860812379 CEPFBMHSKDPALF-LLVKDONJSA-N 426.592 4.733 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446191 MMCZKFSKWNFLGU-OAQYLSRUSA-N 438.911 4.562 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862448734 UDKZJAJQDRMEMK-NRFANRHFSA-N 441.911 4.965 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)ccc1O 1862481157 XZTCQXANFRAFMY-OAQYLSRUSA-N 435.501 4.549 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862624814 QNLQKYQXXQRCTD-IBGZPJMESA-N 443.927 4.950 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862720127 WJHFNNUSGZRVOM-HXUWFJFHSA-N 437.879 4.806 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862746882 KKNSGLFMXVMLEI-HXUWFJFHSA-N 434.473 4.743 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc(C(=O)OC2CCCCC2)c1C 1866125174 GWPAEYBIKKKRFL-UHFFFAOYSA-N 440.521 4.847 30 10 IJEE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 1866967941 GLTMKDWXMCEWDL-LOSJGSFVSA-N 443.522 4.803 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccn3)CC2)nc(-c2ccccc2Cl)n1 1867978740 PAXFQFITXAXOSE-UHFFFAOYSA-N 446.986 4.697 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1CCCn1ccnc1 1870491435 VCSOMWAREMTCLD-UHFFFAOYSA-N 446.595 4.505 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)nc(Nc2ccc(Cl)cc2C)[nH]1 1871572016 OACSEKKQJGZUOA-UHFFFAOYSA-N 438.938 4.929 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cccs1 1872103597 YRMKDWZCHIXAEM-LJQANCHMSA-N 431.583 4.604 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 1872265332 IKMLWDAXLDZBRA-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE CCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccccc1 1872605295 RFFXCUDWASDKIX-HSZRJFAPSA-N 430.614 4.800 30 10 IJEE COc1ccccc1-c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872762978 BIYZBOKEWPMPSI-ILZDJORESA-N 445.544 4.605 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NC[C@H]3CCCO3)ncnc21 1873612458 SDQGNDUYLMJIAR-MRXNPFEDSA-N 446.338 4.767 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCC)cc1)n2Cc1ccccc1 1873613002 RNCFCHCREMYKML-UHFFFAOYSA-N 427.508 4.729 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(CC)cc1 1874405806 PUFOSYNOKOCELO-KOEQRZSOSA-N 436.581 4.553 30 10 IJEE CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874441821 JSCVIHWNJUEOKC-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)cc1OC 1874444208 UHVXRNCDPULPNR-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1/N=C/c1cccc2ccccc12 1874531884 HFEPSHATBXNVOY-AFUMVMLFSA-N 429.549 4.970 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])NC1CCCCC1 1874612427 UOYFUFFGJDIFPE-PKNBQFBNSA-N 442.899 4.972 30 10 IJEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OCCCO)c([N+](=O)[O-])c2)cc1Cl 1874637096 ITSGKAKPHYAKON-HWKANZROSA-N 426.252 4.568 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)c1 1874692726 VCGICMDMBJOXKW-PKNBQFBNSA-N 447.443 4.656 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(C)c3)c2)cc1 1874696036 FSBZGTXAQOTIKB-NTUHNPAUSA-N 432.472 4.893 30 10 IJEE C=CCn1c(C(=O)N2CCC(C)CC2)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1875227801 MKOYVKAWQDMSTO-UHFFFAOYSA-N 442.567 4.625 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 1926705937 BBDDYNVHVAWYQZ-SJLPKXTDSA-N 427.358 4.854 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983939733 BMYOKZUGGDXEPI-ZWKOTPCHSA-N 427.463 4.907 30 10 IJEE CCCCC#CC[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2024367365 JLWBNDPRFYMTMW-ZEQRLZLVSA-N 429.649 4.964 30 10 IJEE Cc1c(NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)ccc([N+](=O)[O-])c1C#N 2026350018 UNUJEISJTJCSSU-UHFFFAOYSA-N 426.473 4.556 30 10 IJEE Cn1cnc(Cl)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 2054878223 BERUYQDRRGVEQU-ZDUSSCGKSA-N 425.714 4.842 30 10 IJEE Cc1ccc([C@H](C)n2nc(C3(C)CC3)c(C=NO)c2I)c(F)c1F 2079929301 SFKQUNZGTWUYIY-JTQLQIEISA-N 445.251 4.543 30 10 IJEE CC(C)(C)OC(=O)NCC1(CNc2cc(Br)c(C#N)cc2F)CCCC1 2106021801 KISJVCNNVSONBP-UHFFFAOYSA-N 426.330 4.957 30 10 IJEE C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2118201652 SOXKSIKANAPSIC-QWHCGFSZSA-N 426.330 4.542 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2180051099 QFHVJYMPHGZCPT-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F)NCC 2212102152 BBGIVYBFDYBBLN-WMZHIEFXSA-N 426.548 4.924 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 2235734131 WBJDBTDOGRONBT-BHIYHBOVSA-N 439.369 4.516 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C#Cc1ccccc1Cl 2245956509 RDSZRUYFMSYADV-WTOYTKOKSA-N 429.944 4.551 30 10 IJEE CN[C@H](C#Cc1ccccc1Cl)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2252755543 ZTWPJIUWIRPEPK-FGZHOGPDSA-N 442.987 4.780 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)c2C1 2255820899 WOWZKJRHPBUIOC-UHFFFAOYSA-N 428.338 4.502 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1 2267015199 KQMLQYGHNBATAP-UHFFFAOYSA-N 437.389 4.683 30 10 IJEE CC1(C)OB(C2(C(=O)NCC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)CCC2)OC1(C)C 2267455354 AYALFOYCPLQKIV-FRIKZZABSA-N 438.421 4.562 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2268639479 PUORHQNBFIGJOS-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(Cc1ccccc1)C1CCCCC1 2269711238 LPISQVKWAFNDEW-UHFFFAOYSA-N 434.389 4.664 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](N)C#Cc2ccc(Br)cc2)cs1 2278809372 LPGWATUMHSQFCA-SWLSCSKDSA-N 436.375 4.543 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2cccc(Br)c2)CC12CCCC2 2296219416 NXZRIDXANVLDAG-IEBWSBKVSA-N 433.390 4.698 30 10 IJEE O=C(C=CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Br)cc1 2297451309 CIHFUCYTJBHFBA-UHFFFAOYSA-N 439.275 4.987 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1OC 2297745416 CZKLIHOYSKHTFD-DEOSSOPVSA-N 443.499 4.634 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2305322422 LCMOPRYAVQRTOB-VWLOTQADSA-N 428.573 4.842 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2306619507 DMICNEKONZUGJY-KSNOWIBYSA-N 428.573 4.555 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)c1 2314429198 APFMJXNVBCWIFP-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CC[C@@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317336468 WFBNXFGZFDGQOM-ZVQQDINOSA-N 432.370 4.798 30 10 IJEE C=CCSc1nnc(C2CC2)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 2320867759 JZOKGEFCKJZKGI-UHFFFAOYSA-N 434.565 4.946 30 10 IJEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)c1C 2322667452 FVAIRPYNHKHQQJ-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323197090 LSPUODXGXYOACI-UHFFFAOYSA-N 445.427 4.812 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1)Nc1nccs1 2323652160 SMFQHFRKTYPCQY-UHFFFAOYSA-N 443.322 4.819 30 10 IJEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)c1 2324471021 IOQONKIKKFTJCH-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OC)c2)cc1C 2325715078 YNCDSRSJPNXUOA-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)OCCOc4ccccc4)c3C)C2=O)cc1 2325745038 FWWYNPRCWWRLLP-UHFFFAOYSA-N 444.483 4.921 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccccn1 2325820904 MLOQBNKNVWDMLM-UHFFFAOYSA-N 439.585 4.943 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2)cc1[N+](=O)[O-] 2326219118 SLAJLTWQLAWEPW-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(N(C)C)cc1 2326323670 WWICSVAGIVTASC-UHFFFAOYSA-N 437.613 4.912 30 10 IJEE CCOc1c(C=Nn2c(COc3ccc(Cl)cc3)nnc2SCC)cccc1OC 2327542360 OPWFKUDVFXHMPA-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE COc1cc(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)cc(OC)c1OC 2327702816 PQYOOFFRFOABQI-UHFFFAOYSA-N 448.548 4.652 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc[nH]2)c1 2328603773 ICNJLTVVQGAUBU-UHFFFAOYSA-N 431.565 4.883 30 10 IJEE OCCSc1nnc(-c2cccs2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330615999 QEBDMXBIMVPCPA-UHFFFAOYSA-N 436.562 4.552 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccncc2)c1 2331018203 JXTSTZAAMQWVJT-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)COCc2ccccc2)c([N+](=O)[O-])c1 2331069219 MEJOAVFYDNDDIH-UHFFFAOYSA-N 447.443 4.622 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cn(C)c2ccccc12 2331092462 BNOWIGIJFRICKW-UHFFFAOYSA-N 439.585 4.601 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 2331170252 JQFPZFCZJYPVQE-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)cc1O 2331356075 KXNHHDLEKVETID-UHFFFAOYSA-N 434.924 4.999 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(Cl)cc1 2331659307 FMQZEYHEDKCQQS-UHFFFAOYSA-N 438.944 4.707 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCc2ccc(C(=O)OC)o2)nnc1C(C)C 2331695959 VDXVOMYIWLYELH-UHFFFAOYSA-N 440.525 4.520 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)cc2)c(OC)c1 2331716726 GAVSCSMXXQGVDH-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE C=CCC(CC=C)[S@@](=O)CC(=O)c1cc(Br)sc1Br 2335209542 HKNWCYWBWGLUBK-IBGZPJMESA-N 426.195 4.725 30 10 IJEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339599807 OQNFHGJTSKQSES-HYSAVQALSA-N 446.397 4.902 30 10 IJEE C[C@H](C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2342475595 RJUVBLJEZWGSFL-WMZOPIPTSA-N 444.381 4.832 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)C#Cc3cccc(Br)c3)C[C@H]21 2360196773 XGLCEBXUODZXSB-QSNWEANLSA-N 430.342 4.548 30 10 IJEE CCc1ccccc1NC(=S)/N=C(\NCCc1cccs1)Nc1nc(C)cc(C)n1 14159050 WVHGASQTBIAZDY-UHFFFAOYSA-N 438.626 4.715 30 10 IJEE CC(=O)c1cccc(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)c1 16740646 NIWPYHFNRRXOCM-UHFFFAOYSA-N 430.888 4.929 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)cc1 20908066 AIAMSAZXOZDTBW-SSDVNMTOSA-N 449.367 4.987 30 10 IJEE C/C(=N\Nc1n[nH]c(SCCOc2ccccc2)n1)c1ccc(Br)cc1 21081816 HCLDECOQWLRIFL-FYJGNVAPSA-N 432.347 4.574 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(OC)c(OC)c3)ccc2C1=O 27097668 IGAMWPJNTGLWDD-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE Cc1ccc[n+](/C(C(=O)c2ccccc2Br)=C(/S)NCc2ccccc2)c1 28777370 DKMZNMJRKXSOPP-UHFFFAOYSA-O 440.386 4.774 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2)Nc2ccc(Cl)cc2C)c1C 32973482 LSJBAKAQIISGCD-UHFFFAOYSA-N 437.975 4.922 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O 35074121 UVVXKQLHJKYCKL-FSJBWODESA-N 438.476 4.814 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 41292892 GGEGYRDCTUWUGW-FMCGGJTJSA-N 432.428 4.548 30 10 IJEE CCCCOc1ccc(C(=O)/N=C(/NCc2ccncc2)Nc2ccccc2OC)cc1 45940671 HRLXBNFMOXABPV-UHFFFAOYSA-N 432.524 4.667 30 10 IJEE C=C(C)COc1cc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1OC 60947728 KGYKXSWUUKEEOE-UHFFFAOYSA-N 435.490 4.823 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1csc(COc2ccc(C)cc2)n1 62887641 ZXAXMBOYGXIQIB-UHFFFAOYSA-N 437.521 4.696 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 102495499 YIAZBYHMCITRBZ-FEYWKWKCSA-N 446.478 4.631 30 10 IJEE CCCCCCCCNS(=O)(=O)c1ccc(Br)cc1Br 147305590 JMTNHMHKGIJCIJ-UHFFFAOYSA-N 427.202 4.850 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921877 BYMWXSBSFGYERD-LJQANCHMSA-N 438.480 4.691 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169921896 DXENLKQJLQHPSQ-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCN1C(=S)N[C@H](c2ccc(OCc3ccccc3F)c(OC)c2)C(C(C)=O)=C1C 169933111 GKPSTUOENUTLDP-JOCHJYFZSA-N 428.529 4.527 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 169960371 AVOAKDMXGJXBGV-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccc(C)c2)c1 169973220 PNOLJKJTAHIVQP-QFIPXVFZSA-N 439.471 4.663 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccco2)c1 170089728 RNKWTHDHSCEFCB-OAQYLSRUSA-N 448.431 4.760 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OC)c2)cc1C 170119038 NKNCJMNUDXESCD-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccccc1OC 170124877 YXINWZPTCKRWKB-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3ccccn3)ccc2O1 170173684 NIXNIUWJFYAOLE-RCDICMHDSA-N 446.890 4.841 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)c1 170233509 AIJKCIMIUWHEBW-HSZRJFAPSA-N 437.536 4.869 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)c1 170256720 LBCNHYQPFJBIOZ-OAQYLSRUSA-N 435.501 4.631 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2)cc1 170265527 CVIBYEFPLYOMQO-HSZRJFAPSA-N 427.456 4.761 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCO2 170282108 LWIBFFWIOSGUOP-OAQYLSRUSA-N 437.398 4.666 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2ccco2)c(C)c1 170289399 VVOORQFGXGPUTA-QHCPKHFHSA-N 444.487 4.508 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)c(F)c2)o1 170299514 QWXBGRLHPZCMIM-KRWDZBQOSA-N 430.432 4.722 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299810 ALBHLAILKOEVGJ-JOCHJYFZSA-N 433.435 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)c(OC)c1 170319591 NXWNORMWDXPRBB-IBGZPJMESA-N 427.522 4.595 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccco1 170420668 WHBYXNXGVNMJKC-LJQANCHMSA-N 427.815 4.556 30 10 IJEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 170428599 BLWIQIXNZSIXAH-FQEVSTJZSA-N 440.496 4.959 30 10 IJEE COc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC 170436363 XUJPBQAMCHETFD-FQEVSTJZSA-N 439.508 4.536 30 10 IJEE CCCNC(=O)C1=C/C(=N\c2ccc(N(CC)CC)cc2OCC)c2ccccc2C1=O 196142737 MHSZVBOHIAAPSZ-WEMUOSSPSA-N 433.552 4.701 30 10 IJEE CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2N=C(C)c2ccccc2O)cc1OC 254756575 VIWVPWQVUAFPGG-DEOSSOPVSA-N 431.492 4.790 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)c2cc(C(F)(F)F)on2)cc1 432768824 QKCDQQQOTJKDJL-UHFFFAOYSA-N 436.434 4.564 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)nnc1-c1ccco1 437398232 WBFLNNCXSPTXGX-SAABIXHNSA-N 442.972 4.922 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 473773619 OPNFTXFUFJTZNJ-KRWDZBQOSA-N 433.545 4.894 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OC)c1OCC 526802320 CZLYXHDKUXQLRR-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(F)(c2ccc(Cl)cc2)CC1 549248375 PEGJKUQBWJINBF-UHFFFAOYSA-N 442.970 4.834 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCOc1ccccc1F 572775210 WCXNFZQCDMCLDQ-REWPJTCUSA-N 436.531 4.754 30 10 IJEE N#Cc1ccc(CN(c2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 586194892 VUUHPQCAEYTFNX-UHFFFAOYSA-N 431.561 4.944 30 10 IJEE N#C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CCN1C1CC1 740457407 GNWVXFLWKPNEKX-SFHVURJKSA-N 430.430 4.702 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 745234791 XFTSQVQHJFLANE-SCWSEQNSSA-N 426.463 4.564 30 10 IJEE C[C@@H](CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 749880561 DGXXHPYNWIVGIL-KRWDZBQOSA-N 439.581 4.884 30 10 IJEE C=CC[C@@H](CO)NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 756677051 NXVFVENUAFGYPJ-KRWDZBQOSA-N 443.619 4.622 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)Cc1ccccc1 767980325 HUPNRLXWIAFVIK-DEOSSOPVSA-N 445.563 4.700 30 10 IJEE N#Cc1cc(N(Cc2ccccc2)C[C@H](O)c2ccsc2)nc2ccc([N+](=O)[O-])cc12 785834481 GDHZXZLYKUZPGQ-QFIPXVFZSA-N 430.489 4.816 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(OCc3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 790837630 CNLGQHAYVZUVCB-RUZDIDTESA-N 446.563 4.679 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1=S 799942539 NJHUWUIRQOIEJG-KRWDZBQOSA-N 440.642 4.698 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 803523809 KVHWNDVFNGRZGX-HXUWFJFHSA-N 448.592 4.886 30 10 IJEE Cc1nc(SCC(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)c(C#N)c(C)c1C 1125222122 DNHPKUUWZJPCOP-INIZCTEOSA-N 425.598 4.895 30 10 IJEE COc1ccc2onc(CC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)c2c1 1125234726 DEYSVBNWYRVYCG-UHFFFAOYSA-N 427.460 4.663 30 10 IJEE C#CCN(C(=O)[C@@H]1Cc2ccc(Cl)cc21)[C@@H]1CCOc2ccc(Br)cc21 1126231429 PNZDKTJVHZPFLP-IEBWSBKVSA-N 430.729 4.728 30 10 IJEE C=CC[C@H]1N(C(=O)COc2c(Br)cc(C#N)cc2OCC)CCCC1(C)C 1128575622 QEOIOKSPTJJWKZ-GOSISDBHSA-N 435.362 4.692 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1ccc(OC)cc1Br 1128908247 YGEDCSXMFAKFNZ-UHFFFAOYSA-N 434.378 4.773 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)C2CCN(c3nc4ccccc4o3)CC2)C(F)(F)F)cc1 1128967923 COLJMKXOIIFTLB-HXUWFJFHSA-N 428.410 4.872 30 10 IJEE C=CCn1c(SCC(=O)N(CCOC)c2ccccc2)nnc1-c1ccc(Cl)cc1 1129034436 XXQHFOCMPBZIMU-UHFFFAOYSA-N 442.972 4.556 30 10 IJEE N#CC1(CC(=O)N(CCc2ccccn2)c2ccc(Br)cn2)CCCCC1 1130013142 HGTPOSYVEXOUBQ-UHFFFAOYSA-N 427.346 4.679 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)Cc1ccncc1 1136569166 GZJVACIHQQBWCF-NRFANRHFSA-N 443.975 4.689 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)CC#N 1141962238 OBWCGYJLKDLBKA-XMMPIXPASA-N 445.563 4.916 30 10 IJEE C#CCOc1ccccc1CNC(=O)[C@H](Cc1cccc(Br)c1)CC(C)C 1146920629 VVCMPKJBVVCVDH-FQEVSTJZSA-N 428.370 4.982 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(CC)[nH]n1 1162743499 KCOPDGNMRBKNOH-QHCPKHFHSA-N 444.535 4.784 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1178634667 QFIKDKPPKNRXKU-UHFFFAOYSA-N 443.219 4.678 30 10 IJEE N#Cc1ccc(NC(=O)NCC2(c3ccc(Br)cc3)CC2)cc1Br 1205019858 HANMXGGBLKEPJN-UHFFFAOYSA-N 449.146 4.937 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12 1215510432 RQSIVTGLKWLUOE-UHFFFAOYSA-N 446.457 4.922 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)c1ccccc1 1230625768 RXWZTFDCFHRAJN-OAQYLSRUSA-N 445.485 4.767 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1234972880 VGGJGKWTYOYCTR-KOUNCHBCSA-N 427.589 4.605 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cc(C)cc(NC(=O)OC(C)(C)C)c1 1248681148 YUMDXHMWOZKCMX-UHFFFAOYSA-N 425.504 4.826 30 10 IJEE CC(C)Oc1ccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C(F)(F)F)c1 1264904281 AUMUNRCYSLVCNG-UHFFFAOYSA-N 429.398 4.949 30 10 IJEE C=CCOc1ccccc1CNC(=O)Cc1ccc(Br)c(Br)c1 1265216389 HXYLJAUMTMAGKU-UHFFFAOYSA-N 439.147 4.635 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)cc1OC 1265664722 QKNOAVYHVYYPCM-VWGZWLCUSA-N 425.428 4.539 30 10 IJEE C[C@H]1CSc2ccc(Cl)cc2N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1268941091 HGFNCGNATPBJTC-ZBFHGGJFSA-N 429.948 4.952 30 10 IJEE COc1cc(C)c(Br)cc1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1270382163 FHNNMZYFRUQQPY-UHFFFAOYSA-N 429.192 4.789 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2C#N)[C@@H](C)C1 1273945980 FJAIMCWNQOLUHD-OFQRWUPVSA-N 441.984 4.946 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1c(C)noc1C 1286368374 KBZMUZPECACWLK-UHFFFAOYSA-N 435.528 4.730 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCOC1CCCCCC1 1286516404 CMKDPNPYAWJLFP-HSZRJFAPSA-N 427.980 4.725 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N[C@@H](C)[C@@H](OC)c2ccccc2Cl)nnc1C1CC1 1286561905 HHIQJRCTBIOUAI-APMMZXSISA-N 430.980 4.978 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2nnc(CC)s2)CC1 1286637867 OACPHDYMJKEJOD-GOSISDBHSA-N 438.601 4.654 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2OCC[C@H]2C)CC1 1286640556 LHSSLDDRQMUAIG-VQIMIIECSA-N 431.378 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2cccc(C)n2)CC1 1286641191 UCMONPFCVWBSLO-UHFFFAOYSA-N 447.583 4.843 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1286649081 IVEPPQNCMFORMB-NBGIEHNGSA-N 441.595 4.663 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@](C)(O)CC)CC1 1286654111 DXVHTTLRCWYCLS-VWLOTQADSA-N 436.556 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)CC[C@@H]1C 1286672197 JADGCYAXEPSKLQ-UXHICEINSA-N 437.636 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1286674807 IZJPFUPXTXIJEH-FQEVSTJZSA-N 444.023 4.787 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1286699057 NOHMFNWEVNRROV-CTNGQTDRSA-N 426.536 4.724 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC[C@@H]1C 1286745450 UDKDOMZPZRYRFJ-AZUAARDMSA-N 440.588 4.935 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1 1286778908 LYMNWHAUQJCPIS-MSOLQXFVSA-N 444.605 4.643 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1287270634 BABWPQIUMKKWCJ-FPOVZHCZSA-N 425.552 4.739 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)s1 1289126359 IXDNDCKYBRMYKG-JTQLQIEISA-N 430.929 4.931 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 1292314040 VNHCTZNKEPZOJU-HNNXBMFYSA-N 425.316 4.500 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12 1295454785 DGVSPHCARZKHSO-WREZULKGSA-N 433.658 4.839 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1CC 1300511699 BOUKETWDWYDCKQ-MJGOQNOKSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1300635040 ARRYJRYDAGUZJL-ICSRJNTNSA-N 434.506 4.728 30 10 IJEE C=C(C)Cn1c(C2CC2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1300949322 SJHZWDISVLOSEE-UHFFFAOYSA-N 425.886 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)N(C)C)CC1 1301119747 UYZQQHSUBHYADR-FQEVSTJZSA-N 425.964 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C2CCC1(C)CC2 1301137260 OTRYZTGDHNFLDD-UHFFFAOYSA-N 442.007 4.985 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301178500 NEAGEUNDDMFTOX-QGZVFWFLSA-N 429.540 4.544 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301246916 YRGZYTBQORILAI-VXKWHMMOSA-N 438.616 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CC1(N2CCSCC2)CCCCC1 1301358035 VRVNFVUUJHOCCZ-UHFFFAOYSA-N 431.675 4.592 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1301368166 YHAMHXJGBQOHGU-JTHBVZDNSA-N 438.664 4.855 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCC(C)CC1 1302719044 FSJAUFGPRYOUBU-UXHICEINSA-N 440.661 4.515 30 10 IJEE C=CCNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 1307274726 RLORMJZFVVDWNO-HNNXBMFYSA-N 440.956 4.685 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)C2(CO)CCCCC2)c1C 1307840340 BANXDVWCTBARLT-SANMLTNESA-N 433.596 4.824 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 1309384483 HFAYGXZDQAZMHD-AZUAARDMSA-N 433.371 4.559 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3ccccc3Br)CCCCC2)s1 1309498463 AFCSKIZCBGBHQV-UHFFFAOYSA-N 425.373 4.520 30 10 IJEE C=CCO[C@H]1CCN(Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)C1 1320156222 IQTGEXJCGWXZAO-SFHVURJKSA-N 425.476 4.623 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CN(C)C(=O)OCc1ccccc1 1350075678 AEFXHJWJICAAEI-UHFFFAOYSA-N 445.494 4.808 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)s1 1350714779 HAEHFFJYAGCOAF-OAHLLOKOSA-N 448.017 4.639 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CCCN1C(=O)OC(C)(C)C 1356575922 GXCCDMHNLJUNOZ-AREMUKBSSA-N 448.567 4.618 30 10 IJEE COc1c(Cl)cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1Cl 1357867691 GCGDIJBGBFHKFK-NSHDSACASA-N 438.698 4.519 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](C)N1CCCCC1 1358878448 WVCBMMCPBLGAJT-PMACEKPBSA-N 439.673 4.998 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nc(C(F)(F)F)cs1 1358942154 KYACQBKSAHEFAD-UHFFFAOYSA-N 433.503 4.836 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1358953839 LPOKHMIVFVDUFE-UHFFFAOYSA-N 432.037 4.558 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1cccs1 1359058756 OTHIINZTPLVHPE-LJQANCHMSA-N 426.586 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(OCC)c(OC)c2)nnc1C(C)(C)C 1359105148 KPQSHUQUFMIECQ-KNQAVFIVSA-N 442.604 4.601 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1359122821 BGWYOUUTASUYEZ-IBGZPJMESA-N 447.967 4.580 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cnc(C)s1 1359127174 KCBRGALOIKLDSY-UHFFFAOYSA-N 448.596 4.796 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359145134 GUYOZDJEFWOFCQ-WCQYABFASA-N 443.798 4.525 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1C[C@]1(C)OCCc2sccc21 1359272799 CGHQHYKUFMMHJL-VWLOTQADSA-N 434.609 4.905 30 10 IJEE Cc1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc(Cl)c1Br 1435959259 ALPWKMCAVGAAMU-UHFFFAOYSA-N 448.748 4.798 30 10 IJEE N#Cc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1Br 1436211328 HBDGMOMCJZHHSL-UHFFFAOYSA-N 440.160 4.955 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C)c2C#N)C1 1436522855 HGJPBMQKHYEPLD-ARFHVFGLSA-N 431.602 4.965 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 1436641182 DTUNURMYFSQSCE-UHFFFAOYSA-N 428.242 4.723 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1446507740 WBGWJMCHKUNVBQ-PMACEKPBSA-N 427.342 4.626 30 10 IJEE C=CCN(Cc1ccc(OC)cc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1459949013 BVOOSDLVNXNYOE-OAQYLSRUSA-N 432.358 4.620 30 10 IJEE OC[C@@H](CNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)Cc1ccc(F)cc1 1461097808 AIZWJLCITNWXSN-CRAIPNDOSA-N 439.371 4.639 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 1466816248 CATIODDUNIOINZ-WFASDCNBSA-N 437.256 4.635 30 10 IJEE CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1469321645 CRROTVUYNDKJEQ-OAQYLSRUSA-N 428.577 4.531 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cscc1Br 1471624660 VUEWYXMEVZJXPI-ZDUSSCGKSA-N 437.787 4.505 30 10 IJEE C#CCN(Cc1cnn(Cc2ccccc2)c1)[C@H]1CCOc2ccc(Br)cc21 1473167155 FHUCDLQXRGSEHI-QFIPXVFZSA-N 436.353 4.653 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1CCC2(CCOCC2)CO1)c1ccc(C(F)(F)F)cc1 1478273385 WRVMSOMAOXVLTR-UXHICEINSA-N 440.506 4.988 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC[C@@H](O)C2)cc1 1492461362 CYVHXRGPXLYGNV-DCLXLUIPSA-N 439.629 4.560 30 10 IJEE C[C@H]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 1493452464 DPLJNLOTJKJTCR-OALUTQOASA-N 438.595 4.640 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@H](F)C1 1504447073 BKAJUQXKAHJTRC-OALUTQOASA-N 443.592 4.847 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC1CCOCC1 1507523152 LUIMFPAAQFULSP-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1507555610 CHNNIAQOJZGWTN-RBUKOAKNSA-N 427.980 4.581 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)C[C@@H]1CCCO1 1507557123 SPVDSURNVWKZIK-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1507756607 WUEXYILSHAGZAS-WMZHIEFXSA-N 438.641 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1C(C)(C)C 1507811230 OUBQOURWCQVHCW-RXVVDRJESA-N 439.560 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1nccc(C(F)F)n1 1507817269 RNIJQVOGSIYHJU-UHFFFAOYSA-N 435.482 4.672 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCc2cccc(F)c2[C@H]1C 1507846418 LEOYKUSBNUFFLW-QGZVFWFLSA-N 426.561 4.786 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCSC[C@H]1C 1507847521 IHISKDJOGSBINC-HXUWFJFHSA-N 444.645 4.823 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC(C)(C)C1 1507934765 JHNBZMPGLBUQMY-FQEVSTJZSA-N 426.561 4.541 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1507945586 ILLNIGJEZGZQSQ-UHFFFAOYSA-N 445.615 4.753 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@H]1CC 1507954588 ODOSGIYTLUDDRW-AZUAARDMSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC([C@@H]2CCCO2)CC1 1507956437 NMHJMORWFGDGTR-FQEVSTJZSA-N 442.629 4.941 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1ccsc1 1507967368 FFBHWHYZILWREM-VFNWGFHPSA-N 432.977 4.663 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507985671 AMRRAOSZPJHLPL-OYRHEFFESA-N 439.648 4.798 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCN(CCC)C1 1507998231 NYMLPZUBTVGTOE-NRFANRHFSA-N 425.621 4.509 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1508160587 HFKXYCQMGQQQMW-OAQYLSRUSA-N 441.689 4.887 30 10 IJEE CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC#N)CCC(C)C 1514815953 FERCXZSPGBVLOT-LJQANCHMSA-N 432.613 4.569 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 1528060845 JMGOSXLQIMCSQZ-NHCUHLMSSA-N 440.996 4.643 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1c(F)cccc1F)[C@H]1CCOc2ccc(Br)cc21 1529626756 FPQYPYVVHTWFGC-UGSOOPFHSA-N 434.280 4.816 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3OCc3ccccc3C)c2C#N)C1 1529938118 FSCFWFUJJLQLLD-UHFFFAOYSA-N 445.544 4.664 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1530086662 PCBOWDLLATUWRH-CVEARBPZSA-N 437.590 4.557 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1530117101 ZBKVNRUBZPMFOU-RTBURBONSA-N 426.582 4.724 30 10 IJEE C#CCOc1ccc(CNC(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1 1533419105 KIEPUPLFHRKWLB-JOCHJYFZSA-N 442.600 4.959 30 10 IJEE CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1537396216 DCIOXIYRUULTPN-KRWDZBQOSA-N 433.449 4.680 30 10 IJEE C=CCC1(NC(=O)c2cc3cc(Br)cc(Br)c3o2)CCOCC1 1538509563 BUJCPWUDLUSDMO-UHFFFAOYSA-N 443.135 4.813 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C(CC)CC)N(C)C 1539350871 BUUCGBQBHPIXHR-FQEVSTJZSA-N 446.437 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1539534733 YFGVWDGECAALCQ-RUZDIDTESA-N 437.588 4.963 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2CC[C@@H]21 1539579440 MCVKSBYZMOBRQD-UXLLHSPISA-N 435.341 4.845 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(F)cc(F)c1 1539603643 SXRRNLHHXZLDCT-UHFFFAOYSA-N 439.329 4.754 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)OC(C)(C)O2 1539659348 STOYWZNGCHQJCQ-UHFFFAOYSA-N 439.947 4.952 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCOc1ccc(Cl)cc1 1539673928 ADLBRQPUSWRIKM-UHFFFAOYSA-N 431.993 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(CSC)c1 1539674278 PMOWLABZWDPCLT-UHFFFAOYSA-N 427.643 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cc(C)nn1C 1539677993 MKYQTCNHPRMCRD-UHFFFAOYSA-N 431.009 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1539902253 CFEJOPAJXQPJSP-UHFFFAOYSA-N 436.503 4.970 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539961485 WPYKVJFTKAFZEX-HXUWFJFHSA-N 448.615 4.536 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1539998610 LWXIAEDCUBKPLC-OAQYLSRUSA-N 442.579 4.828 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1C 1540134478 SMHRTJRDEPZHGF-OALUTQOASA-N 448.546 4.693 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1coc2ccccc12 1540852948 CLSFMXZTRVKXQP-IFMALSPDSA-N 438.572 4.630 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1540855481 VVZNOCXUQQAUMT-IBGZPJMESA-N 441.645 4.594 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCOCC2(CCC2)C1 1540922738 WWGBLEWQAYULHW-UHFFFAOYSA-N 444.670 4.805 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCSC(C)(C)C2)s1 1542833889 HPQWFUJTLONZQN-HNNXBMFYSA-N 438.626 4.717 30 10 IJEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1NCCCC)C(=O)OC(C)(C)C 1543454195 CFJBYXNEOVEEKI-UHFFFAOYSA-N 427.467 4.726 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C 1545342592 SYCGFRHWNZWWHL-MRXNPFEDSA-N 434.924 4.582 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCCCC1 1555436015 ICVBDWYPMJMJGC-VWLOTQADSA-N 446.599 4.934 30 10 IJEE C=CCOc1c(Br)cc(CNCCCN2CCc3ccccc3C2)cc1OC 1560264256 UVYKPMLMOWDCTN-UHFFFAOYSA-N 445.401 4.561 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 1564226185 IIVRAPAVGWDOJR-QUCCMNQESA-N 431.458 4.817 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F 1570419370 BIPWOGDWZQNBSH-RTWAWAEBSA-N 441.478 4.596 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1CCCCO1 1588284633 XFBCQYBAMJGZMN-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1csc(C)n1 1588445128 HCNONOPCDPREQC-UHFFFAOYSA-N 437.613 4.756 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCS1 1588559767 JTULLNKMDUDHHK-OAQYLSRUSA-N 440.613 4.995 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC=C(COC)CC1 1589304557 HVLWMXZGDMIGIJ-IBGZPJMESA-N 431.378 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(C2CC2)C1 1589600285 ZQJDCOVLRROHMC-MOPGFXCFSA-N 444.023 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC2(CCOCC2)C1 1593840446 HWPZUPLYHAJHMN-UHFFFAOYSA-N 425.335 4.887 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(C)C)CC1 1593840452 HXTCEXLNJPHKLJ-UHFFFAOYSA-N 428.795 4.782 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCCC2)CC1 1594430356 LMRYSNRCCCOXTK-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1594504021 DHFHPFPBKNBDRF-KRWDZBQOSA-N 430.597 4.553 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]2CC[C@@H]21)c1ccccc1 1594535097 QMJBPKUYWGSUMI-XPNTWCBSSA-N 435.616 4.935 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 1594552276 KLTKFDQOJNOMNL-NFBKMPQASA-N 437.632 4.578 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1noc2c1CCCC2 1595190692 FTHKZFCZLMTCCT-UHFFFAOYSA-N 427.911 4.831 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)OCc3ccccc3SCc3ccccc3)CC2=O)cc1 1595480346 FCSSZSLCILOCTM-QFIPXVFZSA-N 442.540 4.947 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1595845158 NFUULVAGAXJCNF-FQEVSTJZSA-N 446.418 4.757 30 10 IJEE C=CCCC[C@@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C)C(=O)OC 1596242652 BITKPVXVORIIFX-OAHLLOKOSA-N 426.460 4.765 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 1597620935 QGXKCFFJJXGVAA-UHFFFAOYSA-N 431.521 4.825 30 10 IJEE CC(C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 1622110456 HDNXLNOVWIWUGH-KRWDZBQOSA-N 430.879 4.949 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1622413719 FVXXDVZXVVBPLF-UHFFFAOYSA-N 447.438 4.551 30 10 IJEE CNc1ccc(C#N)cc1NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 1626028669 CXIYVPVCVRNEEZ-UHFFFAOYSA-N 434.540 4.805 30 10 IJEE N#CC[C@@H](CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1)c1ccccc1 1627049602 CVZMDEUNFRCGON-FDDCHVKYSA-N 449.352 4.734 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(Br)c(OCC(C)C)c1 1627749714 GANXFGUNKGZWFF-UHFFFAOYSA-N 431.330 4.818 30 10 IJEE C=C(CC)C(=O)Nc1cccc(NC(=O)c2ccccc2I)c1C 1630682371 AISUNNNZWLIKGA-UHFFFAOYSA-N 434.277 4.757 30 10 IJEE C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)CN(C)C(=O)OC(C)(C)C 1633850186 AOYKFHQZEZSHIW-INIZCTEOSA-N 441.503 4.722 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(Sc3ccc(C)cc3)CCCC2)c1 1635033343 UBAYJVMNWIQKOD-UHFFFAOYSA-N 441.618 4.627 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 1636098277 DZUUBGSAVFUZHC-LEWJYISDSA-N 429.358 4.719 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 1637862026 BLEUPRAPOAHMDR-QGZVFWFLSA-N 438.952 4.925 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)C2)cc1 1638191069 BNCZNIDOANWSBM-UHFFFAOYSA-N 444.343 4.821 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3)C(=O)OCC 1640684020 OGKUNENTPADNAG-UHFFFAOYSA-N 440.590 4.928 30 10 IJEE C=CCN(Cc1ccccc1F)[C@@H](C(=O)OCC)c1nc(Br)sc1C 1641568828 HERFZZBTJOOLKU-MRXNPFEDSA-N 427.339 4.646 30 10 IJEE C#Cc1ccc(C(=O)N2CCN(c3ccc(Sc4ccc(C)cc4C)cc3)CC2)nc1 1646417675 LBGMDHVSZARZFU-UHFFFAOYSA-N 427.573 4.793 30 10 IJEE CO[C@@H](C)c1nc(CN2CCCN(c3c(C#N)cnc4c(Cl)cccc34)CC2)cs1 1651592388 ALZUVWVZKNGVAS-HNNXBMFYSA-N 441.988 4.636 30 10 IJEE C=CCN(Cc1ccc(S(=O)(=O)CC)cc1)Cc1cc(Br)ccc1F 1652424348 WOLOMCSLHRSISB-UHFFFAOYSA-N 426.351 4.570 30 10 IJEE CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 1655474494 CTTKBGBWDGUFKC-HNNXBMFYSA-N 435.902 4.850 30 10 IJEE C#CCOc1cc(F)ccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 1655734763 UOOGHUFWABNHDL-UHFFFAOYSA-N 436.439 4.946 30 10 IJEE C=CCCC(C)(C)CNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1656319143 WFNWWYIBVJLAQN-UHFFFAOYSA-N 429.405 4.843 30 10 IJEE COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)CC2(C#N)CCCCC2)cc1 1660008090 CDLDHENKEITGTH-UHFFFAOYSA-N 426.582 4.544 30 10 IJEE C#CCN(C(=O)Nc1ncsc1C1CC1)[C@@H]1CCOc2ccc(Br)cc21 1664449380 PUSVODKVQJSGBV-OAHLLOKOSA-N 432.343 4.774 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 1666187550 ASHMKDGQENDBCU-NRFANRHFSA-N 442.899 4.808 30 10 IJEE C#C[C@@H](NC(=O)NCCCOc1ccc(Cl)cc1C)c1ccc(Br)cc1 1667436026 ZWUSRIOUEITTFD-GOSISDBHSA-N 435.749 4.854 30 10 IJEE CC[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1674171373 CHWGJDMUXAIWMP-INIZCTEOSA-N 439.409 4.755 30 10 IJEE C=CC[C@@H]1CCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)C1 1675813259 DHMDHTFTSFMFPK-JOCHJYFZSA-N 435.568 4.900 30 10 IJEE C=CCc1cc(CNC(=O)N(Cc2nc3ccccc3s2)C2CC2)cc(OC)c1OC 1677641788 SYPSLVNNSWSESR-UHFFFAOYSA-N 437.565 4.916 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 1686919361 DXRAVMSEQOCXLS-SFTDATJTSA-N 425.573 4.620 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1690319832 ZXOLUXAHAGRPJO-QFIPXVFZSA-N 444.645 4.644 30 10 IJEE C=C(Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690326302 YYKQTAJSOFCIQL-CJFMBICVSA-N 436.556 4.823 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)COCCO1 1690447455 PMRXNMYQSOVXJM-JOCHJYFZSA-N 436.959 4.726 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1690483896 YLHZGTYEHVRHPJ-UHFFFAOYSA-N 442.007 4.908 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690496672 VFOVPCMAAQDLQW-KZNAEPCWSA-N 444.542 4.711 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1690539861 OZGIEHIQIKLNJN-WIYYLYMNSA-N 439.560 4.849 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1690561264 JFPHGZRDGVXNNC-UHFFFAOYSA-N 441.583 4.706 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](C(F)F)C2)cc1 1690678808 AXXXUZWAXDYIJH-SFHVURJKSA-N 428.483 4.941 30 10 IJEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC1(F)F 1695717014 CNIANEZXMPVUBJ-UXHICEINSA-N 429.515 4.648 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCCCC2)CC1 1698491519 DXFDMAIWNRMCCZ-UHFFFAOYSA-N 426.996 4.605 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1705508966 ACIOVQCAKNBBKB-QHCPKHFHSA-N 434.544 4.623 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1705510780 YDZXRUXTRQPBMI-PMACEKPBSA-N 440.588 4.624 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(CCC)Cc1ccc(F)cc1C 1705536161 JPMKIXKJEYGRQY-UHFFFAOYSA-N 425.577 4.911 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2[C@H]1C 1705540037 LJXXNACFANYOEU-NQIIRXRSSA-N 435.572 4.845 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1705604618 PTSSRUAMKSZOSP-UYAOXDASSA-N 445.007 4.963 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C1CC1 1705605055 ZVQWXUPMTHCMID-PXNSSMCTSA-N 430.980 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 1705701599 HFNXGRDMTNHUMV-JGXXCWGCSA-N 443.680 4.549 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(CC)CCOCC2)CC1 1705762736 GZBYKTMCTYFOBT-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1705785682 RYSZIHIPEYXIPL-GXRSIYKFSA-N 430.637 4.660 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1705785889 AMBPVQNWGNBLLQ-UXHICEINSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2Cl)CC1 1705806789 MHJQTQIIQAMBNA-OAQYLSRUSA-N 429.996 4.856 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1705819228 HHVBDWMMWLVADZ-UHFFFAOYSA-N 426.996 4.685 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1CCC(C(F)(F)F)CC1 1705848948 XVORMFSLUDIYGY-UHFFFAOYSA-N 438.494 4.857 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1ccccc1Cl)C1CC1 1705851102 UTSLLHMTOZQUKE-QFIPXVFZSA-N 444.366 4.709 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(NC(=O)CCC)cc1)C1CC1 1705852817 GEUKITUFIPWWTL-UHFFFAOYSA-N 430.556 4.590 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCOc1ncccc1Cl 1705872783 KRKHDHIXOYZWNP-UHFFFAOYSA-N 446.942 4.799 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(C)C 1705880506 HLURGIOEYDJHSV-NZQKXSOJSA-N 435.572 4.538 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1c(C)noc1C 1705940514 HPXQRMBLNUVFFW-UHFFFAOYSA-N 448.596 4.962 30 10 IJEE CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(C)(C)C)CC2)CC1 1706370487 CVNNCYXMAPEURS-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1 1708022209 FZEZXTLVNIBBTE-OSPHWJPCSA-N 441.645 4.668 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2ccco2)C1 1722311821 KXARNKRDMWZLPH-FQEVSTJZSA-N 428.895 4.712 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@H](C)C1 1722418085 DOYAVOUQZSAWDQ-FQEVSTJZSA-N 448.590 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1ccnc(Oc2ccccc2F)c1 1722527016 VKRUJPAKARJTIV-UHFFFAOYSA-N 445.502 4.512 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2OCCC2(C)C)CC1 1722560880 FXKPVFPYHDQGHA-IBGZPJMESA-N 445.405 4.988 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)Cc1cccs1 1722657376 ZSKHSMHYYQRLKQ-UGKGYDQZSA-N 447.608 4.787 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCCc1ccccc1F 1722662866 NEIGQFHYNNIBOF-UHFFFAOYSA-N 436.560 4.705 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(O)cc1 1722674416 CJOMPHVSQZYOHY-UHFFFAOYSA-N 449.942 4.770 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1722733423 ACOOADFWQTXKCD-YJBOKZPZSA-N 440.535 4.583 30 10 IJEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCC#N)CCC(C)C)sc1C 1724080596 ATNUPEQPUHXBRC-UHFFFAOYSA-N 447.612 4.899 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](COC)C1 1740584358 FXHNIXUQGDYWKF-JOCHJYFZSA-N 431.584 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1Cc1ccncc1Cl 1740734318 YOEBLUGJWWIMIY-XMMPIXPASA-N 435.959 4.563 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(N3CCCC3)cc2)nnc1C(C)(C)C 1740766203 GQEMEKHFMUSRCT-GMAHTHKFSA-N 437.632 4.793 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1740814903 HKDKQKJJAZZJRM-MOPGFXCFSA-N 434.943 4.533 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN1C1CCCCC1 1740904548 NVKUQULFPRPJBE-HSZRJFAPSA-N 437.632 4.893 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CC)CCCC2)C1 1740985468 QJQONLFDZMZOJM-PWRODBHTSA-N 430.637 4.948 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1741000046 SHYWLCKMZIYSDD-OAQYLSRUSA-N 437.613 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1cccs1)N(C)C 1748646970 GQDZTPITKNKNAU-AVRDEDQJSA-N 444.608 4.624 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1748771967 LUPKOPBFGNPQOL-QFIPXVFZSA-N 430.600 4.610 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCC[C@@H]1C 1748915030 RUXTZNAOBPVRKN-UXHICEINSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1cccnc1Oc1cccc(F)c1 1749051564 JRZMLTONAAISNU-RUZDIDTESA-N 433.531 4.942 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CC(F)(F)F)nnc1C1(c2ccccc2)CCC1 1749140630 RRDLGQMKSUFZTG-MJGOQNOKSA-N 434.506 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)CC(C)C)c1 1749156256 SQIMKQKYMVXJDC-NRFANRHFSA-N 439.604 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCCCCC1 1749165602 KKNQBIBUXUBRKD-UHFFFAOYSA-N 426.605 4.560 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](C)COC)CC1 1749310324 ZWEZYANCSMYYJB-SFHVURJKSA-N 432.996 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1749376454 ZHTQKJNPRKWCKE-FQEVSTJZSA-N 442.579 4.851 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](CC)C1 1749445675 VOYZKZNNACPKGK-HSZRJFAPSA-N 449.599 4.561 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC1(O)CCCCCC1 1749531474 LJMHPQJQCDHARK-UHFFFAOYSA-N 445.567 4.996 30 10 IJEE Cc1cccc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)n1 1751631304 IEBRPXCHXZYQGW-UQBPGWFLSA-N 448.546 4.633 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)CCCS1 1760209596 GHFLDDVDALVNIF-NRFANRHFSA-N 431.030 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(C)(C)C)cs1 1760291458 PMAPDMLWIJRNRP-XMMPIXPASA-N 430.581 4.611 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760301600 FJZPAALKILWNGM-VAMGGRTRSA-N 445.405 4.591 30 10 IJEE C=C(Br)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=CCC1 1760302732 NTTSEUVIZVXJQG-UHFFFAOYSA-N 442.130 4.522 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(C)CC1 1760319956 VKBHANQUKKNTRY-UYAOXDASSA-N 430.499 4.684 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(Cn2cccn2)cc1 1760339647 PPKBMOJYAVGRBY-UHFFFAOYSA-N 432.597 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1OC(F)F 1760339773 VQDOGANWKQBUON-UHFFFAOYSA-N 433.528 4.686 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](OC)C1 1760368136 XREMKVOLAOAFRJ-FQEVSTJZSA-N 425.964 4.720 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C2CC2)C1 1760446113 HRASSUIGYXUTAZ-OAHLLOKOSA-N 437.407 4.598 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1760478394 GGYOTUWOQBDDPT-RUZDIDTESA-N 438.572 4.569 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@](C)(CC)O1 1760480605 ZKKRQVVFZILENZ-UMFSSWHCSA-N 449.599 4.932 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C(C)C)C1 1760486034 AWABKSXMPURYOE-FQEVSTJZSA-N 436.629 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H]1CCCCO1 1760491667 OVXPTBJOCMXUSL-HNNXBMFYSA-N 437.407 4.907 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@@H](C)C#N)n1CC12CCC(CC1)C2 1770525314 CLNZMLCPYNJPHD-VVESCEMWSA-N 425.602 4.755 30 10 IJEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4ccco4)n3)c2)C1 1772724494 YCZOWDHLPBNCQX-HOTGVXAUSA-N 444.582 4.516 30 10 IJEE CCN1C(=O)/C(=C/C(Cl)=C\c2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772761608 BAPYZQIJTDILHF-AROWCSPUSA-N 428.897 4.837 30 10 IJEE CCCCCCn1c2ccccc2c2nnc(NN=Cc3ccc(OC)c([N+](=O)[O-])c3)nc21 1772764975 LWKKEHUNQKVTFG-UHFFFAOYSA-N 447.499 4.923 30 10 IJEE C[C@@](C#N)(NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 1858042053 KNBMXELMNCMMFA-KRWDZBQOSA-N 428.113 4.690 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C(C)C)cc1 1862408460 MIAOZHMHEUOHAP-HSZRJFAPSA-N 436.552 4.837 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 1862475671 RPYBFLKSJMNUKG-XMMPIXPASA-N 427.500 4.830 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1 1862476722 NMUIKHIWQKOLNT-DEOSSOPVSA-N 443.499 4.802 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccccc2)cc1 1862616291 SWVBQUPDWIMWRR-JOCHJYFZSA-N 429.520 4.528 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862617229 HHRGFVRYRZKVSA-VBKZILBWSA-N 427.928 4.597 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c1 1862621580 UQNRGNIKWIUKNJ-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862668690 FORDTLWOTNAFHP-NRFANRHFSA-N 438.480 4.658 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1 1863083836 WBOCWWIELGIUDG-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE CC(C)Oc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccs2)C1=O 1863107286 GXJQLQBSLSXKSN-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863477782 HZQCLKZOMMBLEX-OAHLLOKOSA-N 429.501 4.582 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2cccnc2)C1=O 1863770472 FKQOKNBVAQMWNS-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2nc3ccccc3s2)c(Br)c1 1866261356 KPOCYZNKCHMDQX-UHFFFAOYSA-N 437.116 4.945 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870147954 OFQIBETUHPJJQB-OAQYLSRUSA-N 427.895 4.757 30 10 IJEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCC(C)CC2)cc1 1870350759 UWRBWBDAXCIMFF-UHFFFAOYSA-N 441.575 4.888 30 10 IJEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 1871281908 KACYFQUQTZYMOO-UHFFFAOYSA-N 441.818 4.995 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(CC)c2ccccc12)C3=O 1871350903 ZOGQDYVDWGMIAP-OYKKKHCWSA-N 432.520 4.856 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)cc1OC 1871366628 IZZVVRFCAUWJRE-ZHBGJKQSSA-N 443.455 4.642 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871408109 UULFBTRHFKOABZ-KSJDGYIASA-N 433.435 4.857 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(Br)cc2)nc(N(CC=C)CC=C)n1 1871734738 AWOJHQLEXUBWLY-UHFFFAOYSA-N 441.377 4.735 30 10 IJEE CCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc(Br)c2)C1=O 1873226294 UGIUYAHPTGLGBA-UHFFFAOYSA-N 438.325 4.703 30 10 IJEE C(=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1)\c1ccccn1 1874355151 CYIGBZNMWJLNLI-YZSQISJMSA-N 429.549 4.607 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2/N=C/c2cccs2)cc1C 1874359107 OZFNTYRIRJJYQO-FSJBWODESA-N 442.610 4.721 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccco1)NC1CCCCC1 1874365400 ADHPOFNTSGBQMY-YDZHTSKRSA-N 443.960 4.615 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(SCCO)nnc1[C@H](C)c1ccccc1 1874397824 LBRIZCDCFXQJHT-GZPJKGAFSA-N 432.549 4.558 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc[nH]2)c1 1874406696 VMYPNSCAMLJIKP-MFKUBSTISA-N 436.585 4.650 30 10 IJEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)c1O 1874437339 WDFWCIRSYUUTRR-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(N(CC)CC)cc1 1874479482 CDIRYNFTDQGAMY-BUVRLJJBSA-N 445.633 4.640 30 10 IJEE CCSc1nnc(COC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1874501008 LDZJBHHBDHTKJY-FSJBWODESA-N 446.960 4.660 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccc(Cl)cc1 1874503326 BZUICSCZUZWQCQ-YDZHTSKRSA-N 427.961 4.805 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1c[nH]c2ccccc12 1874521807 MTCCTJDIFGSANZ-DHRITJCHSA-N 432.553 4.552 30 10 IJEE O=C(COc1ccc(/C=N/n2c(S)nnc2CC2CCCCC2)cc1)Nc1ccccc1 1874560560 DJSGOUGHVAEWOX-PCLIKHOPSA-N 449.580 4.589 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)NCc1ccco1 1874615398 VZFZRPSCUHRZOW-CSKARUKUSA-N 449.503 4.505 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(OC)c1OCC(=O)OC 1874633787 UQERGOGEDCKWQR-CMDGGOBGSA-N 444.911 4.842 30 10 IJEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(OC)c3)ccc2OC)c1 1874694285 VNICJWQCSBFUIZ-DHZHZOJOSA-N 448.471 4.836 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] 1875151892 HTPWUBLRDOBKND-VQHVLOKHSA-N 431.416 4.743 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1978260649 KSQIRSRKMVAUDC-AUUYWEPGSA-N 435.487 4.715 30 10 IJEE C=C([C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 1997456903 UMGBTOLDNBSHTN-DENIHFKCSA-N 442.522 4.927 30 10 IJEE C#CC[C@H](C)C[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020081663 IPCISPUUENZTDN-POGFHVCPSA-N 428.617 4.858 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c(Cl)c1F 2041205683 YYYGUUODFVEHNG-CZUORRHYSA-N 433.749 4.809 30 10 IJEE CN[C@@H](CC#C[Si](C)(C)C)c1cc(I)ccc1Br 2067290935 ZGACYZHBDHBEPK-AWEZNQCLSA-N 436.207 4.585 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)[C@H](C)c2cscc2Br)C1 2077089523 IFFMAWUKONAWJH-GFCCVEGCSA-N 429.380 4.644 30 10 IJEE CC[C@@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079031317 JHWNORDEJZJZCQ-ANKPHQHTSA-N 441.313 4.607 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(Cc2cc(C(F)(F)F)ccc2F)c1Br 2080185258 KGCGDMGQTODNIX-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2F)NC)C1 2126683341 AARRSTJRSHMWOY-QGZVFWFLSA-N 427.358 4.580 30 10 IJEE N#Cc1ccc(Br)cc1O[C@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2162012641 WSPAAIWTDSKLCT-TZIWHRDSSA-N 430.298 4.682 30 10 IJEE CC(C)[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCN(C(=O)OC(C)(C)C)C1 2180960771 GTXWWXJUWCUSPM-FQEVSTJZSA-N 436.350 4.542 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)[C@@H](O)c1cc(Br)c(Br)s1 2187470045 FRDWFJGRENJGQD-DGCLKSJQSA-N 439.289 4.556 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2219965248 YVHLSZNMXCFLLG-VXKWHMMOSA-N 441.446 4.863 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](N)C#Cc3ccccc3Br)CCC[C@H]12 2235725281 JDWLQJTYHJNIKH-IPJJNNNSSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2235727490 QOGHKOOPBDFWAQ-IEBWSBKVSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2235728398 LNNMCYGYKURVQU-XNFNUYLZSA-N 435.406 4.670 30 10 IJEE Cc1ccc(I)c(C(=O)[C@H](C#N)c2ccccc2Br)c1 2240904906 DFQCUHKVCWKGPH-CYBMUJFWSA-N 440.078 4.852 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267111155 NVZSVWZYUGELCM-IBGZPJMESA-N 437.389 4.681 30 10 IJEE CC1(C)OB(c2cnc(Oc3cc(Cl)ccc3Br)c(F)c2)OC1(C)C 2269067371 QAQPSZQVLSFNBC-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE Cc1ccc(COc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1NC(=O)OC(C)(C)C 2278722011 VSOSIPLPKQFENF-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2282179350 LQIYSZWTJYRSEG-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1CCCCC1 2282579945 MDPKFBMDLSDVKE-UHFFFAOYSA-N 449.400 4.970 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)CC1CC1 2296218647 GITABNKNROJYIM-UYAOXDASSA-N 435.406 4.720 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)C#Cc1cccc(Br)c1 2296224785 NYNHDDKSDHEASI-RBUKOAKNSA-N 434.374 4.899 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@H](O)C#Cc2cccc(Br)c2)C1 2296231150 ANKNZTKPAYWTQI-IEBWSBKVSA-N 436.390 4.835 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296268034 ZOHNWFCIUPAOGT-RNQOJCNYSA-N 433.390 4.567 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2296298420 KCOQHXJSINAVBI-YZGWKJHDSA-N 435.406 4.862 30 10 IJEE N#Cc1sc(Oc2cc(Br)cc(I)c2)nc1Cl 2301129882 OZDQNTAIOUWUHW-UHFFFAOYSA-N 441.475 4.828 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(ccc3c2CN(C(C)C)CO3)C1=O 2322064111 LNSJRSZCFSDNPD-UHFFFAOYSA-N 430.298 4.634 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)c1OC 2322216620 RBQICMQFXHQVPX-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(C)c4)c3C)C2=O)cc1 2322884177 RTGXHKADMNKBNS-UHFFFAOYSA-N 428.440 4.925 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)C(=Cc1ccncc1)O2 2323302436 HOSYYQFMSPFDES-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc(O)c3CN3CCOc4ccccc43)C2=O)cc1 2324154469 RFZIXLJAHAAKQJ-UHFFFAOYSA-N 429.472 4.806 30 10 IJEE COc1cccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)c1 2325301823 YYWGPYQTATZEIY-MRXNPFEDSA-N 440.455 4.589 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCCO)n2N=Cc2cccc(Cl)c2)cc1 2327217215 SLECIFJHUGAIIB-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccc(OCCC)c1 2328499629 LRKBRLBQJYMORE-UHFFFAOYSA-N 437.525 4.726 30 10 IJEE C=CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1O 2330008256 GHIRAMBTCVMWMB-UHFFFAOYSA-N 443.370 4.806 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cccc(F)c1 2331318673 MWVVCTJIFUWAQG-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C(C)(C)C)cc1 2331408964 CKWANEYZSSPILT-UHFFFAOYSA-N 432.590 4.538 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2F)c(C)c1 2331416520 GLBRGAQMHGPOII-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CC2)c1 2331734025 VRMQKUYLWIYFFL-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1 2339590020 HFHCKPLLISHLBH-CCEZHUSRSA-N 445.413 4.645 30 10 IJEE CC[C@H](N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836016 JMUDSRSCQQLIKJ-CVJWPJSTSA-N 448.460 4.937 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)N 2381199282 YGRHMYPFYKGPKQ-CALQCPNCSA-N 434.378 4.990 30 10 IJEE C=CCN(C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ccccc1 12135450 RZTCCEAIFDNLRV-UHFFFAOYSA-N 447.608 4.565 30 10 IJEE C[C@H](OC(=O)c1ccccc1OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 22665322 DIWAUTUWJNJIBF-INIZCTEOSA-N 446.528 4.871 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)S/C1=N/c1ccncc1Cl 39864441 BPDAPLLBFXNCMW-ANVDJJBOSA-N 445.928 4.551 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)c(OC)c1OC 41250069 LIXGUBYPJYZROQ-PDGQHHTCSA-N 426.465 4.589 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1ccc(Cl)cc1Cl 59016311 WPXFWHUPELSPGG-CXHGCJEXSA-N 447.351 4.953 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Oc2ccccc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59832778 CGULZECRUHLMAI-ZVHZXABRSA-N 425.558 4.507 30 10 IJEE CCOC(=O)c1c(NC(=O)CSCc2cccc(C#N)c2)sc2c1CC[C@H](C)C2 96549415 WBAVXBMCLCYPQO-AWEZNQCLSA-N 428.579 4.793 30 10 IJEE COc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)cc1 97993047 JICZPLVHNBKPQY-YHYXMXQVSA-N 445.471 4.646 30 10 IJEE CCCCCOc1c(OC)cc(/C=N\n2c(S)nnc2C(CC)CC)cc1[N+](=O)[O-] 169910334 DRWDZTJWHLSYRV-BKUYFWCQSA-N 435.550 4.838 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(OC(C)C)c(Br)c2)C(C(C)=O)=C1C 169930023 HQSXMCCZYVNRKX-GOSISDBHSA-N 425.392 4.741 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccccn2)cc1 169999967 JBUOYADKZGAPEW-JOCHJYFZSA-N 438.487 4.612 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2C[C@@H](C)O[C@H](C)C2)C1=O 170001555 YYLRYWPYFLQVRG-NHCUHLMSSA-N 426.601 4.853 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2cccnc2)c1 170009484 JVCNHMMACIJGAI-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066874 FRNCMFKXIGZIPZ-RCZVLFRGSA-N 433.548 4.886 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 170068767 NGEGTWIBMIMFJE-IBGZPJMESA-N 434.319 4.781 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccc(C)o2)cc1 170102186 HYBOZUJCPALSJF-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2ccc(Cl)cc2Cl)C1=O 170134879 DQCMZASHXYAHMA-UHFFFAOYSA-N 442.346 4.972 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccn1)c1c[nH]c2ccccc12 170169325 GWFBPVVZMNZHOT-NRFANRHFSA-N 431.398 4.624 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccn2)cc1C 170175314 RANVALUVGCFLDC-QHCPKHFHSA-N 444.487 4.504 30 10 IJEE Cc1ccc(-c2nc(C3=C(N)N(CCc4c[nH]c5ccccc45)CC3=O)sc2C)cc1 170179211 XCHRLUGUSFXSJR-UHFFFAOYSA-N 428.561 4.663 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)cc1 170189306 HTYWFPYNFWJRQE-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OCC)cc1 170214433 BGAKBTWYHDGEET-QFIPXVFZSA-N 437.492 4.583 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170256858 HJIGBBTXVNHYBD-LJQANCHMSA-N 425.893 4.886 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170258279 PQRAPFHPLCVCFU-QHCPKHFHSA-N 445.446 4.639 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1OC 170258448 GWPGODPSEKVXGP-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1cccc(O)c1 170263110 MQLFQUCHZJULSH-KRWDZBQOSA-N 436.291 4.696 30 10 IJEE COCc1cc(C)nc(NN=Cc2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)c1C#N 252602104 FFLCJYJLLGUANN-UHFFFAOYSA-N 438.871 4.554 30 10 IJEE C=CCn1cc(Nc2ccc(Cl)cc2)n(CC(=O)c2ccc(OC)nc2OC)c1=S 334162424 NSWIDJTVLWHPFT-UHFFFAOYSA-N 444.944 4.897 30 10 IJEE C=CCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1nc(C(=O)OCC)cs1 409826350 PMNJMRDWUYZWKL-UHFFFAOYSA-N 426.519 4.774 30 10 IJEE C[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)sc2C1 435113356 JPQUWHYYEYDTJQ-JKSUJKDBSA-N 444.560 4.622 30 10 IJEE C=C(C)C[C@@H](C)C(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 466836124 DTENPNLJTNKAIS-CVEARBPZSA-N 436.478 4.563 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)nnc1-c1ccc(C)cc1 481356304 BBLWMPYSFAUQAG-ROUUACIJSA-N 436.581 4.806 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N1CCCc2ccccc21 489612930 FXIOZYQLDMWQGH-LJQANCHMSA-N 448.592 4.812 30 10 IJEE Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s1 503040887 XMBTXWQMQNAXKP-OAQYLSRUSA-N 433.961 4.896 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 508800470 GIYSGSXYLPNVGT-JPYJTQIMSA-N 431.515 4.573 30 10 IJEE CN(C)CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 519988687 GJWSDEBZAXOXBI-UHFFFAOYSA-N 430.508 4.613 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c(OC)c1 526489280 QDRRIBRBZZTDLQ-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 540486104 UQPWSOGMQPTMAW-BTYIYWSLSA-N 436.524 4.502 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cnc1O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 548942021 UAFZAGSNQHDJSL-INIZCTEOSA-N 437.315 4.927 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](CC(F)(F)F)C1 549302311 VLJPATPAIFFRMV-HNNXBMFYSA-N 426.508 4.934 30 10 IJEE CCOc1cc(Br)c(NC(=O)NCc2ccc(C#N)cc2F)cc1OCC 609252540 PQHAPXDFBWFPHU-UHFFFAOYSA-N 436.281 4.579 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 683740477 PKJLOEMAAFWBMZ-TZRRMPRUSA-N 439.600 4.683 30 10 IJEE N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CCC3)CCN1C1CC1 732649811 SRUAAHHPFHCNFN-RVQWUSFHSA-N 448.570 4.924 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 742214921 NKMZRWUKPXBAAB-LJQANCHMSA-N 425.941 4.714 30 10 IJEE C#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 758653487 QBNSQVJUAUGDFF-QFIPXVFZSA-N 444.560 4.631 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@]3(C2)OCc2ccccc23)c1=S 774705495 SZTJMHKBYPHBBG-VWLOTQADSA-N 448.592 4.755 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2\COc3ccc([N+](=O)[O-])cc3C2=O)cs1 788358537 IEDUZBUSCBNBQE-OQLLNIDSSA-N 435.461 4.703 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 802585371 ANZUEZAFWXNSLH-WOJBJXKFSA-N 429.609 4.738 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N[C@H](CCC#N)c1ccccc1)C2 802834136 HWEIDVXNZWVWJS-AKBOATIKSA-N 425.573 4.867 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1ccc(F)cc1 812931422 MRLKYXKFRILARS-JOCHJYFZSA-N 438.480 4.518 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cc(Cl)ccc2C)n[nH]1)c1ccc(C)cc1 1084193321 HSHMJPMGMVYRMR-UHFFFAOYSA-N 428.949 4.642 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccc(F)cc1 1084513362 MTSHJSRKKYQMSC-UHFFFAOYSA-N 434.500 4.664 30 10 IJEE C=CC[C@]1(C(=O)N=c2sccn2Cc2ccccc2F)CCCN1C(=O)OC(C)(C)C 1124540984 RYAZFQYJJHCUPQ-HSZRJFAPSA-N 445.560 4.510 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 1126177241 AOHYEKLJOOIWMR-RUZDIDTESA-N 445.950 4.646 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1127890485 FNLNUJWBYAYCOR-JTSKRJEESA-N 427.479 4.595 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)cc1 1128194087 VLPMSOPNBJVZOF-UHFFFAOYSA-N 447.285 4.927 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]21 1128908040 UMAUCMSMZXSSKX-PCCBWWKXSA-N 428.374 4.717 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cnc1C1CC1)c1ccc(Br)cc1 1129610228 IMSZALCWJGZFEP-MRXNPFEDSA-N 434.131 4.588 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(COc2ccccc2F)on1 1129702986 USOSKIMQEJFIEQ-UHFFFAOYSA-N 447.260 4.972 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1134915851 OKGIRKGEEXCWQI-HXUWFJFHSA-N 448.950 4.857 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(CCCC)[nH]n2)nnc1-c1ccc(Cl)cc1 1143794180 NSIGNGYJDACAKO-UHFFFAOYSA-N 430.965 4.581 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2nc1O 1147578395 KRHNYPLXMFKFMV-UYAOXDASSA-N 425.410 4.871 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)cc1 1150718881 FIJCHDCZIGYESN-JOCHJYFZSA-N 447.000 4.856 30 10 IJEE C=CC[C@H](NC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12)C(=O)OCC 1154004223 KTCFYONGFAXDCA-IBGZPJMESA-N 431.517 4.749 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(Oc2ccc(C(C)(C)CC)cc2)cc1 1214133569 OTYMONXNRXWRBG-UHFFFAOYSA-N 430.570 4.889 30 10 IJEE N#Cc1cc(NC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)ccc1OC(F)(F)F 1217007693 BQRFDWCMUDZZAF-ZDUSSCGKSA-N 442.800 4.650 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1ccc(F)c(Br)c1 1224108509 FCAAXHMMLCNZDN-PXNSSMCTSA-N 430.321 4.612 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 1226706335 MPNXMGYRGYJSEM-PMACEKPBSA-N 428.374 4.514 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)CC(C)(C)O2 1229369507 ANOVBNIFEOSFSY-QFBILLFUSA-N 442.560 4.971 30 10 IJEE C#C[C@@H](NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1ccc(Cl)cc1F 1275498141 MIZSXTXUSUQMIE-QGZVFWFLSA-N 437.689 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@@H](C)C1 1286433700 JEVCZVAETCKSBV-GOTSBHOMSA-N 448.611 4.567 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)CC=C)CC1 1286474998 PPOCWMFKLSDSEF-UHFFFAOYSA-N 432.399 4.609 30 10 IJEE C=C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCOCC(F)(F)C(F)F)CC1 1286641606 ZDAQSBTWARJYAC-UHFFFAOYSA-N 438.425 4.765 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CC2(OC)CCC(C)CC2)CC1 1286662318 GBHBXSIKLLINLN-UHFFFAOYSA-N 429.634 4.632 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)c2ccccn2)CC1 1286664666 ALQYFXKUCLVQED-UHFFFAOYSA-N 445.611 4.847 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1286689183 XUJVNPRAVKUSJZ-UHFFFAOYSA-N 425.625 4.535 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1286693196 MZXVOFIKQVNUMF-XLIONFOSSA-N 429.996 4.843 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1CC1CCN(Cc2cccs2)CC1 1286724717 RTMMCPRSCOGQFI-UHFFFAOYSA-N 435.641 4.773 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](OC)c1ccc(Cl)cc1)C1CC1 1286736810 IUVGDSAJONOCBJ-HXUWFJFHSA-N 444.004 4.830 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1Cc1nc(C)cs1 1286740172 DDIZHHNSOSCJAA-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1sc(C)nc1C 1286743574 LNJLYEKFPPYNNN-UHFFFAOYSA-N 430.581 4.963 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1C[C@H]1CCSC1(C)C 1286765228 APDDKDOPBGIBTD-HXUWFJFHSA-N 437.613 4.624 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccccc2C)C1 1286813896 FKZRRYQFPGXUQM-YTFSRNRJSA-N 438.616 4.529 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1288557490 DOCDVZSRBWRKDR-QZTJIDSGSA-N 435.597 4.761 30 10 IJEE CCOc1ccc(CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 1289507870 BTOVRHZERRQUEY-UHFFFAOYSA-N 425.960 4.576 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 1290541300 OGMZSDGSWHNRHF-KRWDZBQOSA-N 432.952 4.737 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)c1nc(C)cs1 1300287097 UBPVWKDCEQFJPZ-ZFWWWQNUSA-N 429.977 4.634 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C=C)CC1 1300362118 LEANYTPNARKLJI-UHFFFAOYSA-N 441.620 4.599 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1300384609 SUAORFHZQOKTIQ-YYWHXJBOSA-N 428.964 4.633 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(COC)CCC1 1300430892 QIMYRPNQXVTXFN-GOSISDBHSA-N 430.980 4.574 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1ccsc1 1300602338 QHBGLMYYPRMUJD-OPAMFIHVSA-N 444.988 4.500 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)s1 1300647185 BHRCGKLRUOYCQC-QGZVFWFLSA-N 444.963 4.519 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 1300836790 BYQMTEKDEYRTSB-UHFFFAOYSA-N 431.231 4.692 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCOC[C@@H]1OC 1300905030 JOTIUWVLVYNIST-UXHICEINSA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1301097363 VFPYNBSSUQAQHO-JTSKRJEESA-N 433.021 4.931 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(F)c(C)c1 1301294884 UHRUUBYYIFSSFG-UHFFFAOYSA-N 443.567 4.511 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCCC1 1301309937 IWZKQUJRJNLXGH-SFHVURJKSA-N 434.053 4.968 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCSC1 1301375480 OJJNWFRHLJCDNI-CYBMUJFWSA-N 425.421 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC[C@@H]1C 1301375733 SANMGKMLGPRZGV-WMZOPIPTSA-N 431.378 4.559 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCCc2sccc2C1 1301614988 CQDMSWXIKSTYAI-UHFFFAOYSA-N 428.602 4.942 30 10 IJEE CS[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(CCC#N)CC1CC1)C(C)(C)C 1302587372 BCMQTFDOTDEMGF-FQEVSTJZSA-N 429.609 4.916 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(C)(F)F)cc1 1303094717 ICBYLKXBBFAAIQ-QFIPXVFZSA-N 435.494 4.857 30 10 IJEE CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(N2CCC(C)CC2)nc1 1305404875 CIYRISJJVXHYHY-HXUWFJFHSA-N 435.620 4.601 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1305575570 BWNKZIQEUSVBKV-SFHVURJKSA-N 440.592 4.556 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1ccc(S(=O)(=O)C(F)(F)F)cc1 1307310053 GYFFHCYCGNWWSS-ZDUSSCGKSA-N 449.541 4.737 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 1310316554 KRZDKBOLGWHFEU-KRWDZBQOSA-N 442.357 4.809 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CC1 1313236670 OYOJTBJSUPWORB-OPXMRZJTSA-N 435.999 4.949 30 10 IJEE CN(C)[C@@H](Cn1c(N(Cc2ccc(C#N)cc2)C2CC2)nnc1C(C)(C)C)c1ccco1 1314653631 GGRVKNFJALEUBF-NRFANRHFSA-N 432.572 4.512 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COCC1CCCC1)c1ccc2c(c1)OCCO2 1355189418 DGFDFGBEBPDYCB-UHFFFAOYSA-N 437.536 4.763 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)c1 1358381111 AHLREYDKVQSSNB-RUZDIDTESA-N 426.516 4.865 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1358921779 IUVINLJKBKYADK-WMZOPIPTSA-N 438.373 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC1CCCCC1 1359074372 APDFOKHESMYFAM-XLGIIRLISA-N 442.648 4.928 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)CCSCC 1359085155 DHYZMVCVHVMHID-HNNXBMFYSA-N 441.414 4.885 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C 1359089962 SDDVQEGOUGLDTQ-UNMCSNQZSA-N 439.604 4.611 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359127275 MSNLEOBUULOMTQ-RPWUZVMVSA-N 438.616 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1359160897 IUMKDZOTAXZRTD-CVDCTZTESA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCOc1cccc(C)c1 1359263278 WQHWQEQIGZGVSX-UHFFFAOYSA-N 431.565 4.982 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CC1CCC(F)(F)CC1 1359277561 PIGLGBZBIKTXAB-IBGZPJMESA-N 434.531 4.826 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nc(C)cs1 1359278860 JFHJQWRLKXWAJX-UHFFFAOYSA-N 443.642 4.728 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCC(F)(F)F)C1 1359326390 YZKCUKGBTLBRNC-IBGZPJMESA-N 438.494 4.598 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1359926771 AXZQIKGDNYVQKE-VQTJNVASSA-N 434.588 4.744 30 10 IJEE C#CCN(C(=O)[C@@H](CC)c1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 1360557246 RNNJQCXAAZEKEU-FPOVZHCZSA-N 442.353 4.937 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@H](C)n1cc(Br)cn1 1436641526 SCJXZMFFSRDJHH-LLVKDONJSA-N 443.139 4.563 30 10 IJEE C#CCOCCC(=O)N(C)Cc1ccc(Br)cc1Oc1cccc(Cl)c1 1439305672 HTNPCCSPTOBYBU-UHFFFAOYSA-N 436.733 4.893 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3ccccc3F)nc2)CN(C(=O)OC(C)(C)C)C1 1448718328 KUKDWLWGDTZADI-UHFFFAOYSA-N 427.476 4.765 30 10 IJEE COc1ccc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c(OC(F)F)c1 1458402107 BBWOTPWIXCPJRS-AWEZNQCLSA-N 441.299 4.931 30 10 IJEE C#CCOc1ccccc1CNCc1cc(Br)c([C@H](C)OCOC)cc1F 1461205265 JTVUTMHAOSUJLQ-HNNXBMFYSA-N 436.321 4.572 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CCC 1464571950 DUZNKGMWCYOLMJ-UUOWRZLLSA-N 431.536 4.668 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)cc(Br)cc1C 1464587230 RPFQXJNPGCBJIN-MRXNPFEDSA-N 445.785 4.718 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)CCC(=O)c1ccc(I)cc1 1464654785 ZAGXEFXOBFWKOJ-UHFFFAOYSA-N 447.316 4.511 30 10 IJEE CN(C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1466272829 BCSRNZFPNATWRM-IBGZPJMESA-N 436.512 4.824 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCOC12CCCCC2 1471503523 YQMKWFWXRUBMBM-GOSISDBHSA-N 425.342 4.778 30 10 IJEE C=CCOc1c(Br)cc(CNc2nc3ccccc3n2CCOC)cc1OC 1474254296 ZTSFRAKWZBXRSG-UHFFFAOYSA-N 446.345 4.631 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cc(Br)c(Cl)s2)cc1 1474261806 DMUGOAPYZNRXRT-UHFFFAOYSA-N 435.796 4.583 30 10 IJEE COC(=O)c1c[nH]c2cc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)ccc12 1476881561 AUWFAZLDYARHKD-UHFFFAOYSA-N 430.489 4.876 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(CC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1492988590 DGZKLWHWXGQFIL-QGZVFWFLSA-N 432.572 4.926 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(F)F)C1 1507578396 ZXFIQZCRZBHFHG-ZDUSSCGKSA-N 441.295 4.742 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1507594498 QCZJCGGLULCTKN-NZQKXSOJSA-N 434.609 4.895 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1507939599 OUWCCFAUYMBITD-KRWDZBQOSA-N 428.577 4.810 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1C 1507998045 JODPLHPRDUXUFK-AUUYWEPGSA-N 442.361 4.818 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1Cc1ccc(C)cc1F 1508035004 YYCZTSWQDNFZLO-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)c1ccccn1 1508037250 IBEJRYPTILBABS-UHFFFAOYSA-N 442.567 4.505 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCC[C@H]2C)C1 1508116163 IFZNVKHMCMZDFM-KCVHQNEMSA-N 438.616 4.575 30 10 IJEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCc2ccc(Cl)s2)c1 1511185011 HYJDREAFXKCLAR-INIZCTEOSA-N 429.977 4.719 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1519727745 FDZBPQXKRXBJRZ-HXOBKFHXSA-N 434.964 4.666 30 10 IJEE C=CCC[C@H](NC(=O)CN(CCc1ccccc1)C(C)=O)c1ccc(C(F)(F)F)cc1 1520114733 YJBXNBRJRPPYJI-QFIPXVFZSA-N 432.486 4.920 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 1521544546 FJHURLBJCRQART-QGZVFWFLSA-N 431.492 4.840 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)c2C#N)CC[C@H]1C 1524019605 BWJMPLDRJCWDGH-MNOVXSKESA-N 446.458 4.552 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1)C(C)(C)C 1525076284 QKYHQEWXSCYZEG-FQEVSTJZSA-N 430.342 4.814 30 10 IJEE C=CC(C)(C)CNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1525707850 GQFNWKKHJQGIMK-UHFFFAOYSA-N 446.473 4.763 30 10 IJEE Cn1c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c(F)cccc21 1525885246 BSSKVTJLAMEDMG-UHFFFAOYSA-N 435.299 4.768 30 10 IJEE Cc1nc(SCC(=O)N(C)[C@@H](C)c2ccccc2Br)c(C#N)c(C)c1C 1536433206 IDRHFQRUBYMKPW-HNNXBMFYSA-N 432.387 4.953 30 10 IJEE C=CCN(C(=O)c1cnc(-c2ccccc2Cl)nc1)[C@H](Cc1ccccc1)C(=O)OCC 1537317485 WAEANCGVRKSNBT-JOCHJYFZSA-N 449.938 4.600 30 10 IJEE C#CC[C@]1(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)CCCN1C(=O)OC(C)(C)C 1537431760 KCDWDUAHAIWIAZ-UZUQRXQVSA-N 433.618 4.887 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 1538198275 GHGMIFRRTGGCSU-ZVDOUQERSA-N 440.337 4.547 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1539026500 VXXIPNYWHQEFHF-XPWALMASSA-N 435.660 4.668 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cc4c(s3)CCCCC4)n2CC=C)c1 1539040499 UQPRLTOPVUSMPP-UHFFFAOYSA-N 445.592 4.518 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCNc1ccccn1 1539161907 QHYFMZAVHYFBNT-UHFFFAOYSA-N 446.555 4.779 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CCC)CC1 1539343101 DTPFVKOENQDDFS-LJQANCHMSA-N 444.023 4.653 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(Cl)s1 1539519204 FBXQFHUDNCKRJZ-UHFFFAOYSA-N 434.993 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCCCC2)nc1 1539659683 HZAPDWCKXDDMBJ-UHFFFAOYSA-N 441.583 4.653 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1539803177 GLPDTWXJXZWJHS-UHFFFAOYSA-N 448.011 4.717 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1539840584 YJCNMMMAIDOCQV-JOCHJYFZSA-N 442.604 4.958 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1539856227 UZMYRAHVWKTRSX-QHCPKHFHSA-N 441.595 4.663 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCOC2CCCCCC2)CC1 1539894249 CVWDGJRBTNVQPE-UHFFFAOYSA-N 429.634 4.776 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1539975571 WOSPVYFIAZVMBG-HSALFYBXSA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1540140144 JWFNTEHSTXJZQJ-UHFFFAOYSA-N 430.512 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)CN1CCCC1 1540154260 SXNOYMBTECAEMF-FQEVSTJZSA-N 430.600 4.712 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1540855809 YSKFAKVFOIMADZ-SJLPKXTDSA-N 445.995 4.914 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1556558160 OCOHSIAUMSQLKE-AVRDEDQJSA-N 442.556 4.579 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 1557910122 LTWWSTPNPDQONH-PKTZIBPZSA-N 443.632 4.797 30 10 IJEE C=CCC[C@@H](NCc1cn(C)nc1I)c1ccc(C(F)(F)F)cc1 1560409786 UIFKPZBMTOXKRO-OAHLLOKOSA-N 449.258 4.841 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1cc(C)cc(NC(=O)OC(C)(C)C)c1 1562440494 HBVNOPTXOHPSMK-UHFFFAOYSA-N 427.476 4.815 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC3(Cc4ccc(F)cc4Cl)CCOCC3)cc2n1 1563301457 BJXGKSOXCAHKLP-UHFFFAOYSA-N 442.922 4.928 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)c2C#N)C1 1586957952 BEPYTLXMCFQFHV-HOTGVXAUSA-N 434.348 4.573 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H](CC)Oc1ccccc1F 1589228196 KPUYONZNJLEPFM-NTKDMRAZSA-N 438.572 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 1589515806 SGEGOXDZUIVQPV-UWVAXJGDSA-N 430.980 4.583 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1593659930 FCJRYMXHPIGPME-SFHVURJKSA-N 444.988 4.769 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 1593752392 HXPQVXMOYQNGRQ-QHCPKHFHSA-N 432.996 4.510 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC2(C)C)CC1 1594236886 KDSVRYAUTFMDEC-FQEVSTJZSA-N 443.636 4.841 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1594491789 KWHINUHUYJKZHI-GOTSBHOMSA-N 437.632 4.833 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1594559631 OKXJXUYTFYWSBD-BZSNNMDCSA-N 441.542 4.781 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCOC1 1594573567 UPMGJALSZKMLKU-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1594687675 WJLFOIAMBUNRIV-LJQANCHMSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1594720675 TWAVEJBCCYCRHC-UHFFFAOYSA-N 433.531 4.853 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CC2)n1C[C@H]1N(C)CCCC1(C)C 1595085252 SMSNUADJPKQCLF-HSZRJFAPSA-N 437.632 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1Cc1nccc(C(F)F)n1 1595134018 QHBJQQADBVNYGH-UHFFFAOYSA-N 430.478 4.584 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccnc(SC)c1 1595162179 YOPGYJMAJDPHHX-UHFFFAOYSA-N 448.621 4.683 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1595845298 QZUQTGQKZOKLQO-XLIONFOSSA-N 448.608 4.728 30 10 IJEE CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1CC1CCN(Cc2cccs2)CC1 1597024228 CIIVGTVOJHNYQM-UHFFFAOYSA-N 440.661 4.679 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C 1624519637 LLUZKQZDUXDODW-REWPJTCUSA-N 443.632 4.927 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N(CCC#N)C(C)C)ccc2C)cc1 1626076594 AQIFXJFWVUWWLI-UHFFFAOYSA-N 441.597 4.903 30 10 IJEE N#CCOc1ccc(CNC(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1 1627858543 GDPGGKZPQKYFAJ-UHFFFAOYSA-N 431.439 4.585 30 10 IJEE C=CCCCCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1633648199 ANKNAQFDFJSUOT-UHFFFAOYSA-N 441.380 4.809 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(Br)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1634817996 LJXAABCNAVTPIR-UHFFFAOYSA-N 449.389 4.541 30 10 IJEE C=CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1635397744 QMHOGZDPQADLNM-BQUCVHFLSA-N 428.532 4.787 30 10 IJEE C=CCCCCCCCNC(=O)N1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1635936681 ADUPDVCFHBTKFT-HXUWFJFHSA-N 437.625 4.713 30 10 IJEE C#CCN(C)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)C[C@H](C)C2 1636805531 HWVDYRNXZRJZMN-WOOAAIBNSA-N 427.548 4.636 30 10 IJEE N#Cc1ccc(Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1Br 1639330121 DHYAMDKMLZWCTI-UHFFFAOYSA-N 448.368 4.782 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CCCC1 1640400651 CDADPPKNWHZBTC-UHFFFAOYSA-N 437.565 4.504 30 10 IJEE C#CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCCc2ccccc21 1644647107 IWPPWUWDQZTWLZ-OAQYLSRUSA-N 436.353 4.936 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 1645353762 OUKKMLHNKMZSQO-VGSWGCGISA-N 430.545 4.800 30 10 IJEE C=CCn1c(SCc2cc(C)c(C(=O)OC)o2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540624 VZNZVUGWGGMFDO-GFCCVEGCSA-N 444.578 4.749 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(Br)cc1F 1653330729 OXUTZSZGOGUTTK-UHFFFAOYSA-N 438.771 4.821 30 10 IJEE N#Cc1ccc(CCNC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cc1 1657500503 BJUAEBOLNBKWCK-UHFFFAOYSA-N 437.297 4.872 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cnc2onc(C)c2c1)c1ccc(C(F)(F)F)cc1 1661028875 LONQXIPUFIULPQ-QGZVFWFLSA-N 425.432 4.536 30 10 IJEE C[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1661073291 ARRRKILMIQQWBS-LLVKDONJSA-N 436.377 4.505 30 10 IJEE COc1cccc(C2=CCN(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)C2)c1 1671797588 GSOQYJKAGQCQRO-UHFFFAOYSA-N 441.535 4.981 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(-c2ccccn2)nc2ccccn12)c1ccc(Br)cc1 1672445563 BUTKRTPTISCCDZ-QGZVFWFLSA-N 446.308 4.655 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Nc1cccc(C#N)c1C 1675320360 GRIMGRLITSZAJE-VXKWHMMOSA-N 434.540 4.910 30 10 IJEE C#CCN(C(=O)N[C@H](CC)c1ccc(Cl)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1678907064 OITLMZIYODRULI-MRXNPFEDSA-N 440.009 4.897 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 1679595138 KRFZLFPOYMVBRZ-XMSQKQJNSA-N 448.535 4.598 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1682436658 KBHZKLQEDSKGBT-URVUXULASA-N 429.358 4.550 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1683289220 PUDUZHPSNQGOBO-IBGZPJMESA-N 433.474 4.841 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1cccs1 1690032409 ATUDMUWYMDCSAQ-NRFANRHFSA-N 432.593 4.802 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCn2cc(C)nc21 1690066214 BWYINUXCVGXXFY-INIZCTEOSA-N 443.382 4.794 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C=C)CC1 1690163527 IFJPNABFJVNZJG-UHFFFAOYSA-N 448.592 4.886 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C[C@H](C)CC 1690234404 CRDVQSRDFQWRLI-DJIMGWMZSA-N 427.431 4.978 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1690281463 YBYDGIRVONGSRW-INIZCTEOSA-N 441.929 4.885 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)[C@H]1C)c1ccccc1 1690445425 XNCXGAQZLLZORO-IRLDBZIGSA-N 431.584 4.628 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1690479115 VMZHISUKLKNRCU-UHFFFAOYSA-N 444.505 4.595 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1690530602 RRXYAVMHBFZQLM-SFHVURJKSA-N 439.482 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)c(F)c1 1690585692 SHEPFURWMAYKFK-UHFFFAOYSA-N 448.315 4.735 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC(C)C)cc2)C1 1690710555 SZUPIRTYFSABBX-QFIPXVFZSA-N 438.597 4.547 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCSC1 1692827653 HFZUYRVDXLCPSZ-WMZOPIPTSA-N 446.020 4.955 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)[C@H](C)CC)CC1 1695469082 HHDZHWNEGHXNBW-PTUXOGIPSA-N 439.604 4.663 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nc(C(C)C)cs1 1705480414 RPXMAVWEMWGAQF-QGZVFWFLSA-N 430.581 4.888 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)c1nccs1 1705528901 WMZBNSLKDLINHI-HNNXBMFYSA-N 444.402 4.817 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)S[C@@H](C)C1 1705543309 BUHGCNIPQLBJTF-GJZGRUSLSA-N 439.412 4.908 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1Cc2cccc(Br)c2C1 1705693571 ICNHNIINWHSKIV-QFBILLFUSA-N 431.378 4.665 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(F)cc(F)c1 1705695854 KGKMQFQOYMVMSP-LAUBAEHRSA-N 428.483 4.742 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1705704722 YQWAPNXOXCTLCB-NFBKMPQASA-N 435.547 4.875 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CCC)CC1 1705768676 YILIAYCUOPJCML-VAMGGRTRSA-N 429.609 4.910 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1705778734 ILHIGRXPWAMIMD-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCc2oncc2C1 1705800608 CMRWUYBTXXIWEJ-UHFFFAOYSA-N 434.363 4.676 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705800612 CQZVLJXCPDSSFA-HXUWFJFHSA-N 435.572 4.790 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705800794 JSBCIUMQNUOVOR-HXUWFJFHSA-N 444.023 4.503 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1OC1CCCC1 1705844408 CXCSDNYWJYCGGQ-UHFFFAOYSA-N 437.975 4.909 30 10 IJEE C=CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](F)c1ccc(Br)cc1)C1CC1 1705856558 WYPJMAVBBASXPY-QZTJIDSGSA-N 435.341 4.758 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2cccc(COC(C)(C)C)c2)C1 1705924362 VHZJHAVNBYSHDV-QFIPXVFZSA-N 426.605 4.621 30 10 IJEE CN(Cc1ccc(Br)o1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCCC1 1711071676 HZEMKXUXALBFRV-UHFFFAOYSA-N 440.345 4.999 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1722314418 NBYJGMFDEOQZSZ-JOCHJYFZSA-N 435.959 4.683 30 10 IJEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1ccsc1)N(CC)CC 1722350380 XTHSPAQTGBFKLY-QFIPXVFZSA-N 432.597 4.640 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1722408227 YUHGIBISWOLJFY-DEOSSOPVSA-N 442.611 4.713 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCO[C@H](C)C1 1722418303 MJIXIXJWFVAXOK-UXHICEINSA-N 436.531 4.831 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](C)N1CCC[C@@H](C)C1 1722470537 HBRMIADTQJIXRD-YDIMBITNSA-N 426.008 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(CN2CCCCCC2)CC1 1722492292 RMYRSWMHCFPFNO-NHTMILBNSA-N 443.680 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1722511940 RHTYASDFCURNIF-LJQANCHMSA-N 443.592 4.659 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H]1CCOC1 1722528529 IECXNTISNCYJSB-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2ccsc2)N(C)C)CC1 1722566879 BMAKBOZRTDHRRY-OAQYLSRUSA-N 425.577 4.529 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCSCC(C)C)CC1 1722575806 XWUVEVQRYJBEAM-UHFFFAOYSA-N 442.629 4.898 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722587067 XZNJODKMVJTKTM-IBGZPJMESA-N 440.617 4.528 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722608002 QDJZTRKPBHSRIZ-SLFFLAALSA-N 447.624 4.616 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C1CCCCC1)N(C)C 1722657757 NRRKYWXOECLFNO-XMMPIXPASA-N 432.616 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1oc(CC)nc1C 1722661451 GAWYBIPNXJBJAL-UHFFFAOYSA-N 444.564 4.978 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722691369 UGNHBWCVRLSRQD-RVKKMQEKSA-N 437.009 4.676 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1ccnc(C(F)(F)F)c1 1723419060 ARSPQMCAGQUXRO-UHFFFAOYSA-N 443.477 4.568 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(Cn2cccn2)CC1 1740580409 XJLUXDINUWQJAX-UHFFFAOYSA-N 448.640 4.795 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)NC(=O)OC(C)(C)C 1740664743 AXFWMQKKMWIISU-UHFFFAOYSA-N 449.958 4.500 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCC(N(C)C(=O)OCC)CC1)c1ccccc1 1740796560 BTNAPJONNHEQMH-SFHVURJKSA-N 425.577 4.562 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CC 1740850489 HNOBFGLBJTWJMK-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740859347 KUWGPJPVAOCQPI-HDICACEKSA-N 428.577 4.810 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](CC)C1 1740863792 GNPBMBGINCICEQ-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(F)cc(F)c2C1 1740864137 FQHCYCRMVKGGQV-UHFFFAOYSA-N 429.540 4.831 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(C)C)C1CC1 1740909868 BNQUSJSJDBUKRA-UHFFFAOYSA-N 431.625 4.984 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCSC2)C1 1740997330 YJTGOOGNFVPZGF-JTSKRJEESA-N 448.633 4.810 30 10 IJEE CC(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1csc(CCc2ccccc2)n1 1741444677 DWHCUIWRSZBEEK-UHFFFAOYSA-N 434.613 4.507 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1748777197 CDKWNFQTEIVCMW-UHFFFAOYSA-N 429.568 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCOc1ncccc1Cl 1749072739 VHSFRNDJHVKAOE-RUZDIDTESA-N 449.986 4.573 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](CCOC)C1 1749085578 BVQXIKINYHOATK-IEBWSBKVSA-N 433.394 4.591 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(F)(F)CC1 1749109876 BITBGJZGXFWRRG-UHFFFAOYSA-N 441.320 4.618 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)CC#N 1749110109 GSYYJYLERCXJES-MRXNPFEDSA-N 446.393 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1749135859 IQOWAZPTRQUAIS-RSTDESCWSA-N 448.970 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cscc1C 1749147436 IYBXBYBYERHSFC-UHFFFAOYSA-N 434.407 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN1CCC(C)CC1 1749150284 SFHKGAHRYQGKIF-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1cc(COC(C)(C)C)on1 1749162999 ZRQZBFCOJASFLE-UHFFFAOYSA-N 441.551 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nccn1C(F)F 1749165281 BVMBXDMPJXNTCJ-UHFFFAOYSA-N 430.503 4.516 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C(C)C)C1 1749174231 KJJKMVGNQJRBGB-RXVVDRJESA-N 430.618 4.971 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC(C)C)C(C)C 1749367176 RHHBXGKCFIWCIY-UHFFFAOYSA-N 439.652 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCc3sccc3C2)nnc1[C@@]1(OCC)CCOC1 1749377721 ZSGUIJVWGAFCNM-HSZRJFAPSA-N 430.618 4.547 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccs1 1749459291 FDAWOJBNNAUYIC-SFHVURJKSA-N 429.615 4.630 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](c1ccco1)N1CCCC1 1749499769 MPIMFXHRXVJUHI-JOCHJYFZSA-N 435.572 4.526 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCC[C@@H]1C 1749591780 YKZWSCYIXPWJMB-LVXARBLLSA-N 434.584 4.557 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CCCS1 1751256989 BEQJHGBRNRVGIV-IWMITWMQSA-N 449.983 4.799 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760130904 RCOBOLJEBQCEFN-KRWDZBQOSA-N 448.409 4.623 30 10 IJEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1ccco1)Cc1ccco1 1760147652 WKOZSHZJZOVLSG-UHFFFAOYSA-N 431.452 4.660 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(C)C)C1 1760161926 RXAKPJHEGTXVEV-PMACEKPBSA-N 429.609 4.636 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCC1(F)F 1760221735 IGNNOLNGIKANGK-NRFANRHFSA-N 435.522 4.570 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CC1(C)C 1760242845 QAIVRRASNSMVHK-RTBURBONSA-N 445.007 4.820 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1760381187 BVTUEWCSDHQWQU-UHFFFAOYSA-N 449.521 4.728 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760447486 OOWADDFNVLHFLZ-QZTJIDSGSA-N 448.995 4.668 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)C(C)(C)C 1760498907 ILSUVCBESDWNFV-HSZRJFAPSA-N 433.600 4.945 30 10 IJEE CC(C)(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(C)(C)c1cccs1 1760734156 AKKTUDLYLISYHL-UHFFFAOYSA-N 448.640 4.813 30 10 IJEE CC(C)(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCCC1(F)F 1760734173 BURITTIRFNRNJH-IBGZPJMESA-N 442.558 4.599 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCCc1ccccc1F 1760804892 BOIMKNOAKCDCGU-IFMALSPDSA-N 439.579 4.709 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1)SC 1764021461 DPELFQNIYCQDCM-NHCUHLMSSA-N 439.629 4.744 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2C)C1(C)C 1767665862 FOPOVLUDSHDSBY-NHCUHLMSSA-N 435.597 4.875 30 10 IJEE COC(=O)c1c(NC(=O)c2oc3c(c2C)C(=NO)CC(C)(C)C3)sc2c1CCCC2 1772728426 DXSYUPZPJBEHEJ-UHFFFAOYSA-N 430.526 4.718 30 10 IJEE C=CCNC(=O)Oc1ccc(CNC(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 1858887221 DRFPLSAYVYVCRD-DTQAZKPQSA-N 442.515 4.870 30 10 IJEE Cc1cc(I)ccc1NC(=O)C(=O)/C=C/c1cccc(OC(C)C)c1 1860729198 BBNWPCSIZPILTN-JXMROGBWSA-N 449.288 4.608 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(CC)n(Cc2ccccc2)n1 1860999892 CDFKBSYCWNZNQJ-DEOSSOPVSA-N 438.616 4.575 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)/C=C/c1ccc2c(c1)OCCO2 1861568813 PPZOMACUHIQQEL-AXDNMFEOSA-N 430.589 4.623 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862412893 PMSYZFSXCNXYMW-QFIPXVFZSA-N 445.425 4.620 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1F 1862415914 BFLCMURHEKQQBX-IBGZPJMESA-N 431.341 4.615 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(C)c1 1862429830 VYYIENWJEGAVGR-JOCHJYFZSA-N 440.971 4.959 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1 1862494371 LTXCGNJVJISVBK-QFIPXVFZSA-N 435.520 4.714 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc2ccccc12 1862631450 PRNNZLANBBYZCI-HSZRJFAPSA-N 429.472 4.803 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCCO)c1 1862649208 SFXWEHDRZBHSFP-DEOSSOPVSA-N 429.516 4.889 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862736557 ZWEXOLIJQSKOMZ-NRFANRHFSA-N 448.500 4.997 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)c(C)c2)C1=O 1863092383 GDWWKCZJQKZCNS-UHFFFAOYSA-N 441.462 4.719 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2ccc(OCC)cc2)C1=O 1863212286 DXUJZYIOMDYMPU-UHFFFAOYSA-N 441.325 4.534 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(CCC2=CCCCC2)C1=O 1863430724 LDQYANJFPSAGKF-UHFFFAOYSA-N 427.504 4.649 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@@H](C)c3ccccc3)C2=O)ccc1F 1863460825 GJJJJPNBFMZZTH-KRWDZBQOSA-N 425.463 4.959 30 10 IJEE N#Cc1cc(Br)c(NC(=O)Cc2c(F)cc(F)cc2F)c(Br)c1 1866139271 LESRDIXSJGPKSU-UHFFFAOYSA-N 448.036 4.682 30 10 IJEE COc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)C(C)C)cc1 1866979944 MUWKBNHIRYPSPJ-RPBOFIJWSA-N 441.531 4.803 30 10 IJEE CCCCCCOc1ccc(C(=O)N[C@@H](CC)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc1 1867570101 XRQTXBYUVOMQSL-ZEQRLZLVSA-N 435.568 4.844 30 10 IJEE O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 1871379457 RVDNLIHLPNNJFT-JJFYIABZSA-N 428.371 4.768 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(F)cc1)C2=O 1871392541 BZLYRMSFCOZIEM-STZFKDTASA-N 441.499 4.621 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(C)c4)c3C)C2=O)cc1 1871456110 MPRWQNVGCUSTAW-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871460808 FYAUGQSAPPWSJO-ODLFYWEKSA-N 444.325 4.621 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871824762 GHRAUZFAJNTAQE-CRAIPNDOSA-N 434.524 4.677 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871861305 DSLLQPQLYXPGSH-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872375555 PFWFXHUNQACBMI-HXUWFJFHSA-N 448.516 4.583 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1[N+](=O)[O-] 1872777403 MWRRGEFURAKLCZ-AWEZNQCLSA-N 447.432 4.906 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@H](C)CC)c2)=C(c2ccc(Cl)cc2)C1=O 1873357535 PNUYIKJNCCKWCB-OAHLLOKOSA-N 438.911 4.673 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@H](C)c3ccccc3)n2/N=C/c2ccco2)cc1 1874393890 WASCDNYIHCDNLC-BFTFCADCSA-N 445.548 4.944 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2)c1 1874463801 CAXHXCPTDWOAJQ-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874482551 GIQIGTWHLNBRKA-SSDVNMTOSA-N 429.477 4.503 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)c1 1874516245 NVMMWYLJXHWVST-FSJBWODESA-N 425.945 4.730 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C(C)C 1874516712 CTMALQQETWLYGP-LTNVFZTJSA-N 427.599 4.623 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1/N=C/c1ccccc1OC(C)C 1874520322 COZFHFJWJZKKIY-BUVRLJJBSA-N 443.617 4.566 30 10 IJEE CCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 1874532527 NXDYOSOLOIXEOZ-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2CC(C)(C)C)c1OCc1ccc(F)cc1 1874560165 JQRFLJDRCYNSKP-ZMOGYAJESA-N 428.533 4.764 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OCC 1874604947 AZPDNGCHCKKXGZ-MDZDMXLPSA-N 431.916 4.548 30 10 IJEE CCN(CC)C(=O)COc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1OC 1874614845 STRJYWMMDYZSLB-VAWYXSNFSA-N 446.341 4.601 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1nccs1 1874620318 SUCNDZXLIAFOPV-XBXARRHUSA-N 440.496 4.903 30 10 IJEE C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(Oc2ccccc2)c1 1874667615 KSZFIAXPCSNLOY-VWLOTQADSA-N 439.515 4.604 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)CC(C)C 1874717253 HYVQPWXBFMUKGR-JXMROGBWSA-N 428.481 4.569 30 10 IJEE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)o1 1952067438 GJMJOQYQAHOGLE-QFIPXVFZSA-N 430.460 4.842 30 10 IJEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1987805028 RPZMNMKRZJKNTG-IFXJQAMLSA-N 435.487 4.714 30 10 IJEE N#Cc1cc(Br)cc(N[C@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)c1 2156311504 COTRVKRJJYBLMV-OAQYLSRUSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CCC(OCCCNc2cc(Br)cc(C#N)c2)CC1 2162422354 MLSLPBNLHKABTL-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2ccc(Br)cc2C#N)c1 2181099744 DTKHZGSEILGSIX-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE C[C@@H]1SC(=NCc2c(Br)cccc2Br)N[C@@H]1C(F)(F)F 2195325361 ZLZAOBGVUOQVIQ-WKEGUHRASA-N 432.103 4.723 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H](CN(c3ccc(C#N)c(Br)c3F)C1)C2 2207033919 HTLSYDVBJKTWSH-ZUOKHONESA-N 438.341 4.734 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#Cc1ccc(Cl)cc1 2212453489 UVOHINKKUMOOJJ-MTNREXPMSA-N 429.944 4.551 30 10 IJEE C=C([C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(F)(F)F 2229111414 XVRIAYXITQWKGW-GJZGRUSLSA-N 437.300 4.591 30 10 IJEE Cc1sc(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c(C)c1Br 2234512586 MVIITZMLCPIFLM-YJYMSZOUSA-N 440.212 4.826 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C(=O)C#Cc1ccccc1Br)c1ccccc1 2235724400 ICTBYZWKGSWGLT-QFIPXVFZSA-N 428.326 4.810 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2245891909 ADPBIGZALPWALY-KUHUBIRLSA-N 435.487 4.858 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)CC3CC3)c2Cl)OC1(C)C 2247915635 GWICQZRHXHOWDJ-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(F)c(F)c(Br)c(F)c1F 2267846256 UCGVUEDKXNTXSP-VXJOIVPMSA-N 441.263 4.735 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCCCN1C(=O)OC(C)(C)C 2296215797 DRLCNGIRDJJYIP-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 2296272892 MRGRKAZDJIYCPC-MOPGFXCFSA-N 449.414 4.586 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@@H](N)C#Cc1cccc(Br)c1 2296281107 HTXDKJVEESYKEM-INIZCTEOSA-N 431.330 4.856 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@H](N)C#Cc1ccc(Br)cc1 2296297564 AHAYZSTURMSXCV-DFQSSKMNSA-N 435.406 4.992 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296299685 YGWOAFBMFHRLAR-YSIASYRMSA-N 435.406 4.862 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2306524073 TVGZGUCELCAUGY-BWKNWUBXSA-N 430.589 4.801 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(C)cc1 2314477518 ILGBBSWLVIEAEP-RUZDIDTESA-N 432.564 4.705 30 10 IJEE O[C@H](C#CC1[C@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319049101 YUFBSRGANKLFCN-TWJOJJKGSA-N 426.512 4.774 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 2321511728 OVURCWIHYVZJLL-PMACEKPBSA-N 445.560 4.655 30 10 IJEE CCOc1ccc(C=Nn2cnnc2SCc2cccc(C)c2)cc1Br 2326374751 HJCMCYNNYBFVNI-UHFFFAOYSA-N 431.359 4.922 30 10 IJEE CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328003409 KHKMZWWFDCWFTB-UHFFFAOYSA-N 436.324 4.882 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2cccnc2)c1 2328453823 CHPMNYFHRHNFPC-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCCO)cc1 2329859224 MLUAKXXYMZODKI-UHFFFAOYSA-N 442.560 4.544 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1C 2330684703 JANJJFSVHHQQMQ-UHFFFAOYSA-N 435.597 4.876 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cc(C)ccc2O)cc1 2331046506 JFQLHAPORYCOOJ-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)cc1C 2331172950 RUZQLLIBIKJSEJ-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE COCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Br)cc1 2331251050 IGCOTSOHHYLEMZ-UHFFFAOYSA-N 445.386 4.712 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccccc1Cl 2331734156 OYTBCFYUFPBTHQ-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE CC1(C)OB(c2ccc(COc3cc(Br)ccc3F)c(F)c2)OC1(C)C 2369067625 AGBICIQYKNFPKP-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE COc1cccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 1009943 WHTGMCUSFQBFFU-QHCPKHFHSA-N 431.536 4.641 30 10 IJEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 3041866 CJLRGTMGGQHQTO-QLYXXIJNSA-N 434.952 4.886 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)(C)C)cc1 35002948 NCAXNALPHVIGOE-HJPURHCSSA-N 449.547 4.532 30 10 IJEE CC(=O)Nc1cccc(C(=O)/N=C(/NCc2ccncc2)Nc2cccc(C(C)C)c2)c1 35481047 NFGLLZRLZACTOC-UHFFFAOYSA-N 429.524 4.562 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 36627091 DMZHBPZHLKNPNK-CQSZACIVSA-N 430.936 4.893 30 10 IJEE COc1ccc(CCn2c(O)c(/N=N/c3ccc(C)c([N+](=O)[O-])c3)c(C)c(C#N)c2=O)cc1 39870765 DDANFWRCCNMDPM-OCEACIFDSA-N 447.451 4.617 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCOC)c1 39912950 MENLULCUTUFUAB-OAQYLSRUSA-N 439.895 4.511 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCC)c1 40085448 SNCPOMPGCXYPNE-QHCPKHFHSA-N 435.520 4.947 30 10 IJEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2)CC1 41585164 QBRKZXUEVQBQMP-UZPVMOQGSA-N 438.527 4.887 30 10 IJEE COc1cc2c(cc1OC)/C(=C\C(=O)CCCOc1ccc(Cl)cc1Cl)NCC2 102602207 CIZFEGHKCZHXRP-XDHOZWIPSA-N 436.335 4.926 30 10 IJEE CCOc1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102738159 BQSUYNZWWMXDTC-LCPUNJGISA-N 438.867 4.661 30 10 IJEE COc1ccccc1/C=C/C=C1/Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C1=O 102738985 XLZQWHQXKOESII-FHGPVCLNSA-N 434.469 4.635 30 10 IJEE CCCN1C(=S)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169928854 RQGDFBYNZBJRMF-OAQYLSRUSA-N 440.565 4.511 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2OC)cc1C 169939747 AJBOWZQOTSOOCR-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1c1ccc(C#N)cc1 169945637 PPGDXROPVHOSAO-XMMPIXPASA-N 438.483 4.967 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(O)cc2)cc1C 169962683 SKNKCBCFYBCYAF-HSZRJFAPSA-N 445.471 4.506 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccccn2)s1 169996661 QVRSHALSBSXIJH-SFHVURJKSA-N 439.924 4.900 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccncc1 170022193 WPOSCZVPWDBSGE-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCOC(C)C)c1 170035209 MEXIXAITXPPNHL-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)c1 170039513 UDLZNPZCRNBFQK-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)cc1 170081561 OSTNJBXOBAPFDY-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3cc(C)ccc3[nH]2)[C@H]1c1ccco1 170098555 KCQCPOZZRJGMPK-NRFANRHFSA-N 443.459 4.564 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170099971 YHTUWOMATDGDLO-JOCHJYFZSA-N 434.467 4.884 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170114014 RGTUSUZDGPRKRM-GBXCKJPGSA-N 443.499 4.606 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1C 170131775 HLLSLZFZZJEAOB-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccnc1 170196717 YWYSLLMWZIVAQD-LJQANCHMSA-N 449.334 4.782 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)c1 170199177 VOYKGFZIIFDYDE-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1ccncc1 170317082 PBBMHLIPCKAKGS-HXUWFJFHSA-N 429.501 4.711 30 10 IJEE COc1ccc(/C=C2\S/C(=N\N=C/c3ccccc3F)N(Cc3ccco3)C2=O)cc1 210628914 CEPXXIMYXPOWPA-VBARTGPDSA-N 435.480 4.934 30 10 IJEE C=CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccc2ccccc2c1 253568496 LHHMVQLRLZASHV-UHFFFAOYSA-N 429.501 4.988 30 10 IJEE Cc1cc(C#CCCO)cc(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c1 390617037 DHJVUBXNIICMPS-UHFFFAOYSA-N 440.587 4.551 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC(c2nccs2)CC1 508720782 ZKQBTSZICCTZSY-UHFFFAOYSA-N 430.375 4.734 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508729762 JNMJYHMHTQLGGG-IBGZPJMESA-N 436.560 4.550 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](CC(F)(F)F)C1 508809925 AVUHLXGRSIXKEU-LBPRGKRZSA-N 445.283 4.681 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508838827 AMEKZGMDWBTADE-BCHFMIIMSA-N 448.567 4.532 30 10 IJEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1[N+](=O)[O-] 526802189 BHQBOPZZEYUORL-UUYOSTAYSA-N 429.477 4.597 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](c2cccnc2)C2CC2)nnc1-c1ccc(Cl)cc1 535449604 DGCQBXMWPCNDCG-HXUWFJFHSA-N 439.972 4.539 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 549292298 RIMLGUSVFVHIAQ-KRWDZBQOSA-N 434.475 4.687 30 10 IJEE C=C(C)CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 586206179 JCEVRKSBZWIGNX-UHFFFAOYSA-N 435.387 4.821 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669815884 CIFGRBDBAIPBFQ-LJQANCHMSA-N 429.524 4.611 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 693765638 WTUVQKPWTXBRNM-VVBPWWLESA-N 448.568 4.852 30 10 IJEE C=CCC1([C@@H](NCC)c2c(Br)cnn2C(C)C)CN(C(=O)OC(C)(C)C)C1 722921183 ULUFYYJHAAHSNP-KRWDZBQOSA-N 441.414 4.690 30 10 IJEE Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)OCc1cc(Cl)ccc1OCC#N 735349005 DZJYUOJPUCLRJA-UHFFFAOYSA-N 439.851 4.892 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(OCC(F)(F)F)c(C)c1 743477281 IEDLLYFIQFINFI-MRXNPFEDSA-N 435.446 4.692 30 10 IJEE N#Cc1ccsc1N1CC[C@H](OC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1=O 764056157 LLYGKNKTAIJQPL-MZLJFPOFSA-N 440.830 4.568 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1=S 764963496 NOAAHROPSDZZSJ-AVRDEDQJSA-N 436.581 4.695 30 10 IJEE CC1(C#N)CCN(Cn2nc(-c3cccc(Cl)c3)n(Cc3ccco3)c2=S)CC1 779879916 TYPGBNXIPZCPDW-UHFFFAOYSA-N 427.961 4.959 30 10 IJEE C#CCN(C(=O)Cc1cnc2ccccc2c1)[C@@H]1CCOc2ccc(Br)cc21 784410583 JDWBZDCGSZVYHZ-OAQYLSRUSA-N 435.321 4.525 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1=S 794662330 RFIQOFLPUSLNIE-KBPBESRZSA-N 430.471 4.548 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1 807470738 UQCMVYRUBURVLF-IBGZPJMESA-N 436.943 4.545 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)[C@]23CCCC[C@@H]2C3)nnc1-c1ccc(Cl)cc1 1132374428 TZGHOCYQAQNNCG-ZDPZECHZSA-N 431.005 4.962 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)Cc2ccc(Br)cc2)cc1 1136097218 FTBRJEWVBDBEAA-UHFFFAOYSA-N 430.346 4.964 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C)n(-c2ccon2)c1C 1143300558 UKBNLVFKPKCLSZ-UHFFFAOYSA-N 432.293 4.812 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(OCCN(C)C)c(C)c2)s1 1161290984 CAEDABGFMXXPTP-UHFFFAOYSA-N 440.034 4.726 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 1178974385 LOELFXQUPCUUMP-PBHICJAKSA-N 448.951 4.817 30 10 IJEE N#Cc1cnc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(Br)c1 1185028352 HCXZPYORYJPZEL-UHFFFAOYSA-N 440.263 4.895 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O 1204044829 LYSVBGVXDYTXBL-IBGZPJMESA-N 428.330 4.643 30 10 IJEE COC(=O)[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)Cc2ccccc21 1214602318 DFJKUCOGYDGRPV-ZEQRLZLVSA-N 425.488 4.646 30 10 IJEE C=CC[C@H](NC(=O)N[C@@H](C)CCc1ccc(I)cc1)c1ccncc1 1222021440 IFRNMSMRCXXRMX-KXBFYZLASA-N 449.336 4.624 30 10 IJEE CC[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)Oc1ccccc1Cl 1223004783 BRAWUFZVWOREGO-KRWDZBQOSA-N 447.366 4.554 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1252449139 NNMGVSIKGIWWOK-UXPWSPDFSA-N 433.980 4.739 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1F 1252480689 ZXDMHEIFCNROTI-CABCVRRESA-N 426.801 4.509 30 10 IJEE CC(C)(CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccc2c(c1)OCO2 1264818538 IFJZHDQRXQJVQX-UHFFFAOYSA-N 428.488 4.981 30 10 IJEE CCCCc1ccc(N2C[C@@H](C(=O)Nc3cccc(C#N)c3Br)CC2=O)cc1 1276487605 AGIIRZFZIASZGR-KRWDZBQOSA-N 440.341 4.655 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1 1286314964 AODKJZTVWHHTFM-NQIIRXRSSA-N 430.593 4.939 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCc1csc(C(C)(C)C)n1 1286451261 WUACCMYKCXOMNN-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC=C(C(C)(C)C)CC1 1286540210 KVQPOUWKYHCSAT-UHFFFAOYSA-N 445.405 4.969 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCc2cccnc21 1286565274 COOQHOSIMUDHJV-FQEVSTJZSA-N 432.528 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1C(C)C 1286566495 NCFSGYBKTXDKRR-ZEYPLWLESA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)Nc1ccccc1 1286583288 QTTBGHCNIHRKII-IFMALSPDSA-N 439.604 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1286669759 RQGHSTFZWPNLLU-UHFFFAOYSA-N 432.572 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2cccs2)CC1 1286674879 XLBIRPLLFCZJGU-UHFFFAOYSA-N 441.670 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC(OC(C)C)CC1 1286676281 JBPJBBPRQCMTKD-UHFFFAOYSA-N 430.568 4.992 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1286684688 LNRREXBPOFBNBR-UHFFFAOYSA-N 435.597 4.715 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1286699060 NOHMFNWEVNRROV-TZIWHRDSSA-N 426.536 4.724 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1CCN(C2CC2)CC1 1286714400 OTSPNTGCUHASDE-QGZVFWFLSA-N 429.996 4.568 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1 1286746277 UOJBJUUZUFBJPV-UHFFFAOYSA-N 437.632 4.708 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCSC(CC)(CC)C2)cc1 1286796554 MJEJYKCBPQPNBL-FQEVSTJZSA-N 442.629 4.507 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCSC2(C)C)C1 1286809088 ZQFCQZJBEXGEEW-UYAOXDASSA-N 447.048 4.835 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)CCCN1C(=O)OC(C)(C)C 1289672170 AHKOURKFQUGHDA-VWLOTQADSA-N 447.539 4.909 30 10 IJEE C#CCCCCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1290617499 UWLGJMJJNJATPY-ATVHPVEESA-N 439.364 4.730 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](OC)C(C)(C)C1 1300349731 YJTWYLVHTKKZHJ-NRFANRHFSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1300361334 FLYIAJXPJKMGQV-GOSISDBHSA-N 434.510 4.796 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccccn1 1300422050 DMJHERRBCLJVNL-UHFFFAOYSA-N 430.339 4.609 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC1(C)C 1300564587 FTYHDDKGYYSKRM-HXUWFJFHSA-N 428.536 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC(C)C)nc1 1300606927 XCVNZZOBURHYDO-UHFFFAOYSA-N 449.624 4.966 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C 1300776153 FIOVNTIZYWNTQB-OAHLLOKOSA-N 439.075 4.532 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(C)o1 1300777124 RIXONKVCUJXJRP-LJQANCHMSA-N 440.544 4.606 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N(CC)[C@@H](C)C1CCC1 1300857454 UZQPOLYHFBISIM-KRWDZBQOSA-N 433.394 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CC=CCC1 1300873555 HHZGBUIDOMVOSP-DSKINZAPSA-N 427.980 4.767 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1301109621 NALGAMMKBPTMQQ-CGTJXYLNSA-N 430.515 4.698 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)NCCC)CC1 1301176340 XFLSQTIKFCGNNQ-UHFFFAOYSA-N 435.572 4.790 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301225746 KDZBPUMYPNETFX-OAQYLSRUSA-N 440.485 4.504 30 10 IJEE C=CCOc1ccc(C(=O)N(C)[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)cc1OC 1301350592 QKQKQURMVGDKIS-LJQANCHMSA-N 438.307 4.553 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCN1CC 1301351168 LOSPATAGVOXYGK-JTHBVZDNSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CCc1csc(C)n1 1301355272 UCWHUPGXGFMXJQ-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1cc(C)cc(C)c1 1301359815 PULGKGTVJHFSTK-UHFFFAOYSA-N 432.597 4.792 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)c(C)o1 1304149582 GGFBMSHYTRESMY-VJBLKOIQSA-N 447.583 4.949 30 10 IJEE Cc1ccccc1C1(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2C(C)(C)C)CCOCC1 1304520784 GCUMHCSCMXKMPL-RUZDIDTESA-N 435.616 4.763 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)on1 1305713752 CCWOQACSVUGQMO-UHFFFAOYSA-N 430.512 4.986 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)C1CCOCC1 1310351846 IIZJSGOCIDDPGC-CYBMUJFWSA-N 440.409 4.910 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc(OC)c1OC 1310451146 JILBPAJCCUOFSP-UHFFFAOYSA-N 444.503 4.848 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1311257344 VCAJVNMCIQDDHZ-LJQANCHMSA-N 444.329 4.510 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1312943264 OXYPQIZRGRCVOH-IDHHARJASA-N 437.943 4.536 30 10 IJEE C=CCn1c(-c2ccc(C)cc2C)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 1340391462 ZELGXTNAQRPDHO-UHFFFAOYSA-N 425.577 4.584 30 10 IJEE COc1cccc(-c2cc(NC(=O)c3ccc(C#N)cc3OC)n(-c3ccc(C)cc3)n2)c1 1350544880 FDRYGTICYOPXCA-UHFFFAOYSA-N 438.487 4.989 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3cccc(OC)c3)cn2)ccc1OC 1353363811 DTSNINSURMFGNP-GOSISDBHSA-N 447.491 4.502 30 10 IJEE C=CCCCC(=O)N[C@@H](C(=O)OCC)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 1353757892 ZLEDVDZSNSZUAV-HXUWFJFHSA-N 437.462 4.585 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCCC(C)C)c1 1358470354 HEXNNQUEGSKXMR-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nc(C)c(C)s1 1358897063 SEXZWXALJNZBCD-QGZVFWFLSA-N 437.613 4.868 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1359055925 SIHLUYNZNLYFEC-HXUWFJFHSA-N 431.005 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1359091582 PAOGDPIGSAGWPE-MZKRTTBSSA-N 439.604 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359095018 JAOBWPXUFQVOHT-VJBWXMMDSA-N 449.599 4.582 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(F)(F)F)CC1 1359129147 SJJNQNKHLQAURP-UHFFFAOYSA-N 443.901 4.755 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)N(CC)CC)CC1 1359173542 IPVQTQQJTHECDO-MOPGFXCFSA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 1359188944 XMEODDZUMMKPLW-IBGZPJMESA-N 429.609 4.761 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C(F)(F)F)C1 1359323103 IHFVBBLIYBTOMC-QGZVFWFLSA-N 442.913 4.892 30 10 IJEE Cc1cc(C)c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(C)c1Br 1435857024 ALWJUMGBFZPUQG-UHFFFAOYSA-N 427.277 4.823 30 10 IJEE Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1436067781 GXPPWNVTSXKPQQ-SFHVURJKSA-N 425.960 4.760 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@](C)(Cc2ccccc2)C(C)C)nnc1-c1ccco1 1438478717 BHCFMUWPTRRQHN-XMMPIXPASA-N 438.597 4.980 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(CC)on2)c1 1440290762 STGUURKRNKKZCG-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1460784642 AYHOXMZEXXMBML-LJQANCHMSA-N 429.879 4.728 30 10 IJEE CC1CCC(N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 1463002016 AUTFGVBRKBGVGP-UHFFFAOYSA-N 446.956 4.710 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)C1 1465609637 AYVVKXVCMMQSIW-UHFFFAOYSA-N 448.523 4.825 30 10 IJEE C#CC[C@H](COC)NC(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1466933986 LEDDGYMCUQNDGC-QGZVFWFLSA-N 433.371 4.901 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1C(F)(F)F 1476211036 BEIJLSJVTKTTBQ-GOSISDBHSA-N 431.414 4.772 30 10 IJEE C=CCc1cc(CNC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1477334848 SCYLAKWDUQNGKR-UHFFFAOYSA-N 426.557 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1cc(Br)cs1 1507524821 DNMQELWPGXAKGZ-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC(C)(C)OC(C)(C)C1 1507559493 TUBHZDKALVEKAP-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507681168 TVAGIYJHPXQYRZ-UYAOXDASSA-N 439.560 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ncccc1C 1507766043 YAQYIHDFLNBWTA-FQRUVTKNSA-N 445.567 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1507792781 AMRGJUVFEVIUKB-QUCCMNQESA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)CCSC 1507806819 TVHFHHUARSARBS-JUXOCIIHSA-N 432.609 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1507819022 ZXANFLPXTFGBBM-RCZVLFRGSA-N 431.584 4.834 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C(C)C)C(C)C)CC1 1507878227 URYQPVMPVJBSDD-UHFFFAOYSA-N 433.547 4.822 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 1507897633 PYGWUEOZOPPSRE-UHFFFAOYSA-N 439.510 4.955 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1507899538 KTROAJLXXVSURJ-UHFFFAOYSA-N 430.556 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1507911281 JDRBWZFFBKIGCN-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)C1CCN(CCC)CC1 1507917497 QCRDUNPYTOOBJL-UHFFFAOYSA-N 427.612 4.921 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1507943387 XVEDECOFXINNFR-NRFANRHFSA-N 438.551 4.600 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CC[S@@](=O)CC 1508009557 RXRFZOZLRORUIY-NDEPHWFRSA-N 435.018 4.621 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1 1515636846 ICCFWFNPWJEKQW-MOPGFXCFSA-N 439.560 4.955 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(C)C)C1 1516358610 CESUZMSXFYPRKQ-OAQYLSRUSA-N 430.556 4.531 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@H](C)N1CCCCC1 1518000908 GYSUMAKRKCWUFS-ROUUACIJSA-N 445.011 4.610 30 10 IJEE CCc1c(C)sc(NC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1C#N 1520399401 HORUNGGAZMIWRK-GOSISDBHSA-N 431.480 4.619 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1cccc(Cl)c1OCC(F)F 1524155170 HWSDGFXQKQVUOW-UHFFFAOYSA-N 445.647 4.636 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)C2(c3ccc(Br)c(C)c3)CCCCC2)n1 1524967657 COTWFRDLCYJRLP-UHFFFAOYSA-N 442.401 4.838 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)c1ccccc1 1526452938 QEZUYRGDDJZAQV-DHIUTWEWSA-N 438.568 4.955 30 10 IJEE C#CCN(C(=O)c1cc2cc(F)ccc2o1)[C@H]1CCOc2ccc(Br)cc21 1529627042 JJHUNODZHYGRDW-KRWDZBQOSA-N 428.257 4.934 30 10 IJEE C=CC[C@@]1(C(=O)NCc2c(Cl)cccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1532265015 QSEGGFSFNQYNLZ-NRFANRHFSA-N 444.906 4.903 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 1532298421 WPSJBIYKSZDCGM-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3ccc(Br)cc3C2)cc1OC 1532498370 KRNROXSYWBKCSJ-UITAMQMPSA-N 428.326 4.621 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)c1ccc(Br)cc1 1535479624 VJQOWLLVHNWIQU-IBGZPJMESA-N 425.351 4.914 30 10 IJEE C#CCN(C(=O)c1cccc(Br)c1)[C@H]1CCOc2ccc(Br)cc21 1538198065 FGUNNBHWSAPXQD-KRWDZBQOSA-N 449.142 4.811 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)cc1 1538703980 GPOHQXXRIWLEDP-DHLKQENFSA-N 435.545 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)c1nc(C)cs1 1539566398 JQJLEYIXOYAANE-HOYKHHGWSA-N 435.597 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC1CC1 1539614792 CFXFYTXDRSWHJZ-KPLVRAHFSA-N 428.552 4.775 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1539749695 CSDCBMZISBWSSW-NPPFBWRTSA-N 430.543 4.755 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(F)(F)Br)CC1 1539831728 KTOXITFFXALVDP-MRXNPFEDSA-N 425.321 4.964 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C(C)(F)F)cc2)CC1 1539832416 UPRJPSXVPBQXNM-XMMPIXPASA-N 446.542 4.635 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1)c1ccccc1 1539949506 YMLIFLJLGWOKFL-UPVQGACJSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1539959723 PRYQHCPJMHZZRV-UHFFFAOYSA-N 428.462 4.673 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1540137280 QMMYREIBDWIQSN-LJQANCHMSA-N 425.596 4.998 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1Cc1nnc(C)s1 1540185968 YEXNBMGNGHPXDP-UHFFFAOYSA-N 434.569 4.544 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(OCC)cc3)cc2)c1 1540382574 CEPXKUOZXOVEPN-UHFFFAOYSA-N 449.528 4.927 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)c1ccncc1)c1ccc2c(c1)OCCO2 1543115831 WAVBCRSWNZIAOH-IBGZPJMESA-N 430.504 4.755 30 10 IJEE CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(Cl)c1 1543250932 BVKHFZOCDNWGFH-UHFFFAOYSA-N 441.896 4.628 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1scc(Br)c1Br 1545086172 GJIHWRUMTVPMFS-UHFFFAOYSA-N 433.096 4.677 30 10 IJEE C=CCN(C)C(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1556274936 YSBFBMJYOITESJ-UHFFFAOYSA-N 426.516 4.983 30 10 IJEE C=CC1(CC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2OC)CN(C(=O)OC(C)(C)C)C1 1556552451 DWYSKHXCVCIJEV-UYAOXDASSA-N 428.573 4.808 30 10 IJEE C=C1CCC(CNc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])CC1 1559275859 XCFPVADPPVYYLH-UHFFFAOYSA-N 429.542 4.968 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(OC(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1563771375 UFROXFAMCDHPRH-LJQANCHMSA-N 443.588 4.579 30 10 IJEE C#C[C@H](CC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1568623369 GNJJKAZMSZJTDT-IBVKSMDESA-N 438.527 4.794 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnc2c(cnn2CC(C)C)c1 1583506241 OAHKOPLOFINCRA-UHFFFAOYSA-N 429.318 4.667 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1 1584690221 RDDYBSDXQSTGQQ-GOSISDBHSA-N 428.717 4.701 30 10 IJEE C=C[C@H](C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[C@@H](C)CC)c1ccccc1 1585704627 JLAWZPHCIXONOO-OUIFVKKZSA-N 432.608 4.968 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C)c(C)c2)C[C@@H]1C 1587336198 FSSCKCPQOQRNLZ-RBBKRZOGSA-N 429.605 4.590 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1587718377 DUYWSHYSPAKQBZ-HOTGVXAUSA-N 433.419 4.841 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(C)C)C1 1587766710 XUQJPIPBPBMRNM-NRFANRHFSA-N 443.636 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CCC(F)(F)F 1589569924 SDRGXCQLAJZHHE-PXNSSMCTSA-N 438.494 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)c1ncc(C)s1 1589687367 CPBNOYKGFHHXPY-INIZCTEOSA-N 429.565 4.967 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCC2(C)C)CC1 1594202771 UFCZWQBMPOOOAK-FQEVSTJZSA-N 442.629 4.577 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cccs2)CC1 1594788559 PFPOCTZWOCVOSE-UHFFFAOYSA-N 444.004 4.579 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)C 1595166569 VCDFEZRLWIKWRT-FYYLOGMGSA-N 436.648 4.911 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC(F)(F)CO1 1595178906 RPBPAVBQNAFIFZ-RTBURBONSA-N 432.515 4.638 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1ncc(C)s1 1595261551 RKMMTKGFJYGOLM-HKUYNNGSSA-N 441.601 4.569 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(N(C)C)CCC2)C1 1595687682 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C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1749393092 JXVAQALMMASTLL-HSZRJFAPSA-N 441.938 4.587 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749395650 MROPQWYEMAECLR-SFHVURJKSA-N 430.980 4.729 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1OC 1749550618 FARGUEYWVZJIDD-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(C)cc1C 1749578906 IAQQAVMGGKEMFO-UHFFFAOYSA-N 426.568 4.555 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1751944007 FDWYWAGZXAWAON-MRXNPFEDSA-N 448.571 4.619 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCOCC1 1760133850 RNDDWVUJICHTFD-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CC)CCCC1 1760177096 CRMHBONORRWLSC-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](SC)C(C)(C)C 1760240998 LIOUACAKNQCGCQ-FQEVSTJZSA-N 425.577 4.830 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@@H](C)C1 1760244329 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4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CCN(C)C(=O)OC(C)(C)C 1760491574 MBUCTXPPTNQCQS-UHFFFAOYSA-N 425.577 4.553 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CCCNC(=O)OC(C)(C)C 1760492474 URYHCFHYFJAHBJ-UHFFFAOYSA-N 431.968 4.692 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1nc(C2CC2)cs1 1760504108 KXTXNMXZYOWEEZ-UHFFFAOYSA-N 429.977 4.620 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2nc(C(C)(C)C)cs2)C1 1760549827 NJYOVLXBPWJPGY-GOSISDBHSA-N 429.634 4.594 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1760565141 OOMLSLPFUXYWHC-UHFFFAOYSA-N 437.613 4.774 30 10 IJEE C[C@@H](NC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1761461441 HPFWZMUHWMBILL-KBMIEXCESA-N 438.595 4.582 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](F)COC)CC1 1772555247 MQKAJDDFDUIVNW-NRFANRHFSA-N 437.563 4.740 30 10 IJEE O=C(O)c1ccc(N=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2CCc2ccccc2)cc1 1772728036 GODMVDMQIBYPJU-JOCHJYFZSA-N 448.519 4.941 30 10 IJEE 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CC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867131456 GGRKFJSAJNWPCN-OFNKIYASSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C 1868987354 MWUBOWBVSKVXOU-QFIPXVFZSA-N 437.584 4.631 30 10 IJEE CC(C)c1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN(C)C 1871253474 BHQVHOZCLTWCDF-UHFFFAOYSA-N 444.579 4.596 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCc3nc(O)c4ccccc4n3)cc(C)c2C1=O 1871430183 CDNNPGABHDQPHM-UUYOSTAYSA-N 440.455 4.848 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CC 1872112572 OAVAHFDVNOPPKM-INIZCTEOSA-N 440.915 4.550 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCCCC)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872175825 WXNDHRJZMLPTAN-UGKGYDQZSA-N 438.634 4.837 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1872217459 ORGUWEICTPINJZ-KOSHJBKYSA-N 440.609 4.995 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872226446 MATSGUUUWZXIDY-NRFANRHFSA-N 432.561 4.717 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 1872265766 KPRGIOOXNNLZGV-KRWDZBQOSA-N 444.981 4.915 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(OC)c1OC 1872766493 HDZZXMAHACIJFW-HNNXBMFYSA-N 428.897 4.979 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccccc2)C1=O 1873159891 OLRVSGMSBSBSLT-UHFFFAOYSA-N 425.617 4.593 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(OC)c(OC)c2)cc1 1874257794 SYMZROZXGSOYJH-BUVRLJJBSA-N 440.569 4.821 30 10 IJEE CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874414895 OXXUZQJYYTZIEA-KOEQRZSOSA-N 428.517 4.692 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccnc1 1874427964 KMPJHAFUGLJVLQ-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc(C)c2)cc1 1874442652 HVIJWJUAOBIOCI-XAOCGEIJSA-N 449.580 4.613 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(O)c2)c1 1874451864 SHSACPVOGWTNPE-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2)cc1C 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N#Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)on3)CC2)c1 1891449839 FPFBPUWDROCRPI-UHFFFAOYSA-N 434.499 4.843 30 10 IJEE CC(C)[C@@H]1[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CCN1C(=O)OC(C)(C)C 1962927209 APSGBHPAEARJBO-NVXWUHKLSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1(C)C 2005339040 HSSBDMORAMKNAD-YCRPNKLZSA-N 436.557 4.757 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(C#N)(N(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)CC2 2030099441 DZSVRVCPQGDHLA-JSODFGIGSA-N 449.592 4.522 30 10 IJEE C#CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)C1CCCCC1 2059471818 DMAOUZDDSQZNTP-OFNKIYASSA-N 442.600 4.670 30 10 IJEE Fc1cc(Cn2ncc(I)c2C(F)(F)F)ccc1C(F)(F)F 2079128082 YXAWWVLRVJWMSH-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080029785 DEWCNJKLVKZZND-GOSISDBHSA-N 433.293 4.635 30 10 IJEE CCOC(=O)c1c(C(F)F)nn2c(Cl)cc(-c3c(F)c(F)c(F)c(F)c3F)nc12 2081273690 AJMBBOLHKSZYOS-UHFFFAOYSA-N 441.690 4.860 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1ccc(C#N)c(Br)c1 2105982864 GQEKAKUKHJSCMM-KRWDZBQOSA-N 430.293 4.767 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cccc(OC)c1Br 2142388779 NMSUGYLHOHPBDS-YJBOKZPZSA-N 427.383 4.968 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCCC 2159126610 WTXOFFBCGPTACQ-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC1(C)OB(c2cnc3c(N(Cc4ccccc4)Cc4ccco4)ccnc3c2)OC1(C)C 2172783132 AIJCPAZJMBVYHF-UHFFFAOYSA-N 441.340 4.729 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)C(=O)C#Cc1ccccc1Br 2232046755 YFFQWFYTQMTDFI-INIZCTEOSA-N 440.403 4.795 30 10 IJEE CC[C@](NC(=O)OC(C)(C)C)([C@H](C#Cc1ccccc1Br)NC)C(F)(F)F 2235723377 KPNPLHABDFZPEA-YJBOKZPZSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@@H](N)C#Cc3ccccc3Br)CCC[C@H]21 2235726539 OWLPIZOVIAPIAP-IZBJGVDFSA-N 433.390 4.554 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C=CCCN1C(=O)OC(C)(C)C 2235727163 GADQGZHERXECLM-PMACEKPBSA-N 433.390 4.734 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2235735618 ZTNXAWDYRZYKEN-MAUKXSAKSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](O)C#Cc3ccccc3Br)C[C@H]21 2235739750 JVLTZFUAJNQIDI-RAUXBKROSA-N 434.374 4.587 30 10 IJEE CSc1ccc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)cc1C 2236028351 PCSPUVJMADGIRQ-UHFFFAOYSA-N 436.180 4.966 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2245893534 NRWOJANKPDUHEV-AUUYWEPGSA-N 435.487 4.856 30 10 IJEE CC1(C)OB(c2cnc(Nc3ccc(Br)c(Cl)c3)c(F)c2)OC1(C)C 2269004811 DNSPOOXLFYRVTG-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)NCCOc1cccc(Nc2c(Br)cccc2C#N)c1 2285180136 BZLMIQISNBCVCO-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE C=C([C@H](OCCC(=O)O)c1scc(Br)c1Br)C(F)(F)F 2291850720 LAVHKHBAVIMXRV-VIFPVBQESA-N 438.059 4.924 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCc2c(Br)cccc21 2292198269 FFLBUTYEVGDJKS-JOCHJYFZSA-N 431.326 4.855 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296219494 OWJGEZVFMDTTJL-IEBWSBKVSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(CNC(=O)OC(C)(C)C)CC=CC1 2296225552 WIYYTPAGUSIBAW-IBGZPJMESA-N 433.390 4.640 30 10 IJEE Cc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)cc1 2297060262 MDJWOBLRNRCBCW-NRFANRHFSA-N 432.407 4.669 30 10 IJEE C[C@H](CCCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317358295 KPJQCUDDIXCBTP-TUQDCPSNSA-N 432.370 4.798 30 10 IJEE CCCCOc1cccc(C=NNc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)c1 2318415410 PUJCCBYLVHSXJR-UHFFFAOYSA-N 426.904 4.519 30 10 IJEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCc2nc3ccccc3[nH]2)C4)o1 2322174730 IRTMCQQXPSDJRL-UHFFFAOYSA-N 441.487 4.784 30 10 IJEE Cc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccc3c(c2)OCO3)C4=O)cc1 2322220556 FEYIHAZQHPTUNW-UHFFFAOYSA-N 441.483 4.735 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN(Cc1ccccc1F)CO2 2322350283 SXKFPJXHYKOGPY-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE CC[C@@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cc(OC)c(OC)c(OC)c2)C3=O)C1 2322368898 YOSYVJGJPIBZBK-CQSZACIVSA-N 439.508 4.587 30 10 IJEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(OC)c(F)c3)ccc2OC)o1 2323201750 LDEJQSGJWJENJN-UHFFFAOYSA-N 440.423 4.698 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1nccs1 2323985636 NOVNMPXECQEYPR-UHFFFAOYSA-N 426.469 4.513 30 10 IJEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1ccc(OC)c(OC)c1OC)C2=O 2324120601 ATFVEONZWSUSLE-UHFFFAOYSA-N 441.524 4.656 30 10 IJEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)cc(OC)c1OC 2324588893 QHNNQOAPPMABCD-CQSZACIVSA-N 426.519 4.787 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC 2325558962 ZWZOLEBUIIKFJO-UHFFFAOYSA-N 432.476 4.677 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2325589399 SEDDHWJNPDMQSB-UHFFFAOYSA-N 445.500 4.577 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccccc3)ccc2OC)cc1 2325731546 BMDPUJHOWVXOGA-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2cc(C)ccc2C)c(Br)c1O 2326589114 JWHNSYVXMVKXMY-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc(OCC)c1 2326846251 NKJKMSZLGNKQLT-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2329115620 CLSOTUDMNQURBZ-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE CC(=O)NCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(C)cc1 2330777053 IEXDCGNFKXKUGR-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)c1 2330786150 VLBGWPIVWNUYKE-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccnc1 2331009068 MLTCXUJZOPJSBU-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C(C)C 2331687259 FAJHMDFQZYXDNK-UHFFFAOYSA-N 449.580 4.888 30 10 IJEE O=C(O)C(=CC(=O)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2336064751 LMCLDPSGPFXYPW-UHFFFAOYSA-N 429.188 4.784 30 10 IJEE CC#CCN(C[C@H](NCCC)c1c(F)cccc1Br)C(=O)OC(C)(C)C 2337917192 ZLVHGDJTFLYJGX-KRWDZBQOSA-N 427.358 4.889 30 10 IJEE CN(C(=O)OC(C)(C)C)C1CC(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339575671 APNBGYRCGJOMIG-VAWYXSNFSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339585834 VHCDQMFKBSFTRL-KQDNUWKFSA-N 444.381 4.798 30 10 IJEE COc1ccc(C#N)cc1COc1cc(Br)cc(I)c1 2364275084 ZKBDANQQLRNKBK-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE Cc1cc(CN(C)Cc2ccc(Br)s2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369741281 JPPQIIZKVRCQJH-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2cc(OC)ccc2OC)C3=O)cc1 2099403 SNSCIRVPUJHIGG-ZMOGYAJESA-N 446.455 4.686 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C#N)C1 9630285 BGGLMRHXFKECNC-UHFFFAOYSA-N 449.985 4.909 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 19853334 KBJMGFOBPIYPGZ-UHFFFAOYSA-N 443.916 4.814 30 10 IJEE Cc1ccc(NC2=C(N3CCN(c4ccccc4)CC3)C(=O)c3ccccc3C2=O)c(C)c1 20060300 GKTNKFOTKDOMMW-UHFFFAOYSA-N 437.543 4.828 30 10 IJEE C=CCc1ccccc1OC[C@H](O)CSc1nnc(-c2ccco2)n1-c1ccccc1 24095264 STHBOYFDRICDOU-FQEVSTJZSA-N 433.533 4.788 30 10 IJEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(N/N=C/c4ccco4)n3)c2)C1 33960044 YCZOWDHLPBNCQX-QBNDSOGLSA-N 444.582 4.516 30 10 IJEE C=CCc1ccccc1OCCn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 40181127 UKCUNRHDFVMXEF-UHFFFAOYSA-N 426.520 4.511 30 10 IJEE C=CCn1nc(SCC(=O)N(C)C2CCCCC2)nc1-c1ccc(Br)cc1 72264442 DPEWVFRBKRVCSO-UHFFFAOYSA-N 449.418 4.777 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2C)c1 169937014 XCATTZMGWUUESJ-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccccc1C 169946174 SAORDKDVQOYPLY-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 169962045 BUZNGRPXFPXPPM-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170031314 DSOPBBATQRGIHN-QFIPXVFZSA-N 435.451 4.904 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170031851 OJKDNEIZBQKISR-QHCPKHFHSA-N 449.503 4.725 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccn2)c1 170175014 GIHXBQPXOGSJBM-HSZRJFAPSA-N 444.487 4.667 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)ccc1Cl 170189137 UZKJNQGYLKMHPY-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1ccc(F)cc1 170243772 KEPBNYDNDRKHPX-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)c1 170289656 VVNKLMMPUCQXIJ-JOCHJYFZSA-N 428.444 4.721 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 170446435 ROESAHFRXCUSGP-HSZRJFAPSA-N 446.503 4.523 30 10 IJEE COc1ccc(O)c(-c2cc(-c3ccc(C#N)cc3)cc(NCC[C@@H]3CCCN3C)n2)c1 247894495 NVUIMEIKVHVZMB-NRFANRHFSA-N 428.536 4.898 30 10 IJEE C=CCN1C(=O)[C@H](Cc2ccc(Br)cc2)SC1=NN=Cc1ccccc1 254305787 WYDJBTQIEVTJIP-SFHVURJKSA-N 428.355 4.512 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1cccc(C(C)=O)c1 254346099 AFNDUNQKUOUOFK-CUCKYGFWSA-N 439.562 4.892 30 10 IJEE CCN[C@H](C#Cc1ccccc1)c1cc(I)ccc1Br 313560675 HZFNSOANQRDJJD-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@]2(CCOC2)O1 431901810 KCIUZOKQMZWYCS-GBXCKJPGSA-N 439.943 4.797 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 508739347 JLTAEBPUMVCMLA-QGZVFWFLSA-N 427.549 4.640 30 10 IJEE C[C@@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCN1C(=O)c1ccccc1 523944339 DJSZUJOSJXEHPS-SANMLTNESA-N 425.488 4.984 30 10 IJEE CN1CCC[C@@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H]1c1cccs1 525551737 DZJLVUJRFPHAAK-FDDCHVKYSA-N 435.549 4.605 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1c1ccco1 572890076 MZJLWJBLFZKBOR-QGZVFWFLSA-N 429.318 4.837 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1F 586245392 DLLUEFFCOHFIBA-UHFFFAOYSA-N 428.460 4.549 30 10 IJEE CCCCCCCCC[S@](=O)CC(=O)NCCc1ccc(OCC)c(OCC)c1 586301033 RITOGDKAQLTRGL-LJAQVGFWSA-N 425.635 4.642 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3cccc(OCc4ccccc4)c3)c2F)OC1(C)C 690100173 MDOHKKQOBYGFQS-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 699586260 XTPOBZVSXMNEFZ-DVECYGJZSA-N 445.560 4.655 30 10 IJEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)c1ncc(Br)cc1Br 712358127 PWTGHVWXDUGQRT-CYBMUJFWSA-N 445.155 4.961 30 10 IJEE C#CCN(C(=O)C[C@H]1CCOc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 735440540 GJOIWSKOIJOVHX-UZLBHIALSA-N 440.337 4.691 30 10 IJEE Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)c1 738955113 OZWCRWSUWIIZDP-QHCPKHFHSA-N 432.568 4.902 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 742160218 VROIEPSSTBGXDG-IERDGZPVSA-N 442.535 4.965 30 10 IJEE Cc1c(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccsc2)oc2ccccc12 790736442 RMJNGJIVSSQISX-LJQANCHMSA-N 439.562 4.603 30 10 IJEE C=CCOC(=O)N1CCC(OC(=O)c2csc(-c3ccc(OCCC)cc3)n2)CC1 790843490 DIYODWFUTGAZDF-UHFFFAOYSA-N 430.526 4.543 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C 804464950 XKCUXTZPFLQWGY-NHCUHLMSSA-N 434.577 4.540 30 10 IJEE C#CCOc1cccc(NC(=O)c2cc(I)cc(C(F)(F)F)c2)c1 1126141400 KXXRNOJALXBJJL-UHFFFAOYSA-N 445.178 4.574 30 10 IJEE COC(=O)c1cc(Cl)c(Cl)c(NC(=O)c2ccc(Br)cc2C#N)c1 1132484390 HMYYMULUMGOHAV-UHFFFAOYSA-N 428.069 4.666 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(Cl)c1 1134652946 PUXSAOUJIQXWBC-OXQOHEQNSA-N 434.845 4.888 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCC2CCCCC2)CC1 1136782022 GNAPDESZUMBALT-LJQANCHMSA-N 429.001 4.610 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC(OCc3cccc4ccccc34)C2)cc1OC 1136995703 BFLCPRUDXMMOPR-OWBHPGMISA-N 429.516 4.854 30 10 IJEE C/C(=C/c1ccccc1)CN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1138232129 YTHBRABIUZYPNG-JQCGEVGXSA-N 445.563 4.954 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)C[C@]1(CC)OCCc2c1[nH]c1c(CC)cccc21 1141302779 SDMLMSSGNFHBFI-MHZLTWQESA-N 445.563 4.853 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)C(C)C 1144197386 GSLXRPHYLBYWOS-NRFANRHFSA-N 434.506 4.628 30 10 IJEE C=CCn1c(SCC(=O)N2CCCC[C@@H]2CC)nc2sc3c(c2c1=O)CCCCC3 1164444230 OLNZTCWWLLYMTR-INIZCTEOSA-N 445.654 4.796 30 10 IJEE N#Cc1cc(Br)ccc1OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 1165825949 CCZHJZSJHCSBCU-FQEVSTJZSA-N 445.313 4.806 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](C(=O)OC)C2CCCCCC2)s1 1178562685 OFAANFFIMOYYFY-INIZCTEOSA-N 445.050 4.714 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@H](c3ccc(Cl)s3)C2)c1 1191231053 BJTNOJDZBURUEU-PKOBYXMFSA-N 431.989 4.727 30 10 IJEE CCOc1ccccc1CN1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 1201178713 HORDGIINHITPER-INIZCTEOSA-N 446.473 4.714 30 10 IJEE C=CCCCC[C@@H](C)NC[C@H]1CCCN1Cc1ccc(I)cc1 1205531026 URUFOANGQLXDKM-YLJYHZDGSA-N 426.386 4.980 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1)c1ccc(Cl)cc1F 1214412632 IXEZQAKNAYUSSN-HNNXBMFYSA-N 430.785 4.925 30 10 IJEE C=CCC1(NC(=O)NCCSCCOc2cccc(Br)c2)CCCC1 1221994110 KMCBCBNZLDTXSV-UHFFFAOYSA-N 427.408 4.749 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1ccc(Oc2ccccc2CC)cc1Cl 1229292326 RDLPTRKQMPGSTE-UHFFFAOYSA-N 427.976 4.791 30 10 IJEE C#C[C@H](NC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1 1230489418 PWZBGVSJFKBTBI-GBXCKJPGSA-N 426.944 4.613 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(F)c(F)c1 1234555992 NVHGHVXGRVEADI-HKUYNNGSSA-N 448.819 4.985 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1)c1ccccc1 1254754352 IPFPRVANKMJXEQ-UYAOXDASSA-N 425.602 4.888 30 10 IJEE C#C[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1275462217 ALCSBRXXGJGQQT-KRWDZBQOSA-N 426.232 4.771 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1C[C@H](C)C[C@@H](C)C1 1286284064 WRMDKCWKKLLJCH-KURKYZTESA-N 431.987 4.564 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](OCC=C)C1 1286315596 AQJSZTHTVFAAEM-IBGZPJMESA-N 443.389 4.601 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H]1CCOC1 1286318420 UOUYJWYKVXWKBV-LJQANCHMSA-N 435.597 4.653 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ncc(CC)s1 1286421038 MFILIGNWRQNJIV-QGZVFWFLSA-N 449.649 4.662 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(CC)CCC2)CC1 1286474561 HNSFKGACOSLEDI-UHFFFAOYSA-N 432.399 4.587 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCCC=C 1286527648 OMCQNFPXZDXXFT-AREMUKBSSA-N 436.600 4.739 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCC1 1286528704 LQRTVKLVIPXIGJ-OHUGHZGNSA-N 439.604 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOCC 1286551527 MHLWRQWVRCBCFI-SPEDKVCISA-N 444.645 4.585 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1286607893 LKMUANDWJAJVNP-FQEVSTJZSA-N 432.996 4.691 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1286699348 RJTDIXLGGFSGER-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 1294181139 VPPAGZCUKHBGMN-UHFFFAOYSA-N 427.838 4.557 30 10 IJEE C[C@@H](C[C@@H](C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1)NC(=O)OC(C)(C)C 1299875057 ATLSNHMIJXWKBG-MSOLQXFVSA-N 437.540 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1300574915 PEKQJZCRNQLXLC-AQYVVDRMSA-N 429.955 4.884 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCO[C@@H]1C(=C)C 1300650008 QURTUFZVJUVDIJ-RCZVLFRGSA-N 436.575 4.771 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H]1CCCCN1CCC 1300650097 YGKSSSGFNMWLPE-XMMPIXPASA-N 437.607 4.979 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C)=C(C)C1 1300852892 FKFURPNLVFOEIP-UHFFFAOYSA-N 426.362 4.805 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C)CC1 1300979917 IISGIRLQYIPZQJ-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1301141066 IGHMJKMQMRZBEZ-KRWDZBQOSA-N 428.577 4.568 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)[C@@H](F)C1 1301176210 SJANWGCRXJTPJB-KDOFPFPSSA-N 437.357 4.867 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1301196698 IAKVPRRJMKJXKW-NRFANRHFSA-N 446.555 4.632 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(C)(F)F)cc1)C1CC1 1301329621 LAWMOZPXTQCNNI-UHFFFAOYSA-N 429.540 4.949 30 10 IJEE C#CCC1(NC(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)CCC1 1303937271 VYAUPJBROSDGGY-UHFFFAOYSA-N 431.005 4.987 30 10 IJEE CC(C)[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCN1Cc1ccccc1 1307167551 FXLYKTGDLCECAU-AREMUKBSSA-N 427.596 4.831 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCCC1CN(C(=O)OC(C)(C)C)C1 1307264004 MMASICICFQWSAC-UHFFFAOYSA-N 448.564 4.531 30 10 IJEE Cc1cc(NC(=O)N[C@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)nn1CC(F)(F)F 1310901905 AUEHHCMFEXKNMA-CQSZACIVSA-N 437.319 4.799 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 1337635175 CTRKWNPFMBEGLU-INIZCTEOSA-N 431.414 4.634 30 10 IJEE COc1cc([C@H](C)NC(=O)c2ccc(Br)cc2C#N)ccc1OCC(C)C 1353408198 GTUAAWLEHZJLKR-AWEZNQCLSA-N 431.330 4.855 30 10 IJEE N#Cc1ccc(OCC(=O)O[C@@H]2CCc3c(OCC4CC4)cccc32)cc1Br 1356457015 CLCFZWKGXQMSHP-OAQYLSRUSA-N 442.309 4.719 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOCCCC 1359065894 GZSXKLWQFTXYRH-RUZDIDTESA-N 432.572 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1(CC)CCOCC1 1359071166 GNCBNKJRUHWKAS-HSZRJFAPSA-N 426.992 4.721 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1359120193 NTDITLLZVAHZDH-HNNXBMFYSA-N 425.558 4.775 30 10 IJEE C=C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[C@H](OC)C(F)(F)F)CC1 1359163931 YEATYGXOCZCHFT-IBGZPJMESA-N 433.478 4.561 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1359199126 LPEVIGUETSDZNA-IAGOWNOFSA-N 446.617 4.657 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccs2)CC1 1359206160 WNYHCENVXUMMKS-UHFFFAOYSA-N 441.576 4.741 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)c1cccc(C)c1 1359279847 VHXVWWUBSNMQBE-SFHVURJKSA-N 425.964 4.744 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359283428 PUASTCJMJQWABA-NQIIRXRSSA-N 428.577 4.787 30 10 IJEE C#CCN1CCC(C(=O)N(CC)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)CC1 1456447634 LTAQJHWXQBWGJL-UHFFFAOYSA-N 432.608 4.885 30 10 IJEE C#CCN(C(=O)C1CCc2ccccc2CC1)[C@@H]1CCOc2ccc(Br)cc21 1456451179 TVOQPTJUDFIIEF-JOCHJYFZSA-N 438.365 4.930 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1457060672 IIHNZBVJZQXPMD-PVAVHDDUSA-N 440.462 4.540 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1 1459580341 FBTFLNYCILOUHJ-UHFFFAOYSA-N 433.533 4.749 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1ccc(N2CCCCC2)cc1 1461083088 NTVZWPWHOVJRSV-UHFFFAOYSA-N 427.386 4.784 30 10 IJEE N#Cc1ccc2c(n1)CCCN2C(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 1461261520 HOWKIZVVCSVNIV-UHFFFAOYSA-N 428.439 4.612 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](CO)c3cccc(Cl)c3Cl)s2)cc1 1465165777 CZBUUGYOXJAVGX-KRWDZBQOSA-N 447.347 4.767 30 10 IJEE C#CCN(C(=O)Nc1c2c(cc3c1CCC3)CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1466754335 ATYRMIIFVWSANH-UHFFFAOYSA-N 437.584 4.531 30 10 IJEE CC(C)C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N[C@H](C)c1ccccc1 1469350866 HPXCWXUDSFQOIY-RDGATRHJSA-N 447.627 4.545 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1 1470662836 KWEGVPYKFPTEQO-FOIQADDNSA-N 446.776 4.603 30 10 IJEE C#CCN(C(=O)CCCCCc1ccc(OC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882440 ONGMQAVKOGGYPA-UHFFFAOYSA-N 442.600 4.659 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(c2ccc(F)cc2F)CCCC1 1475153711 DYTBCCQOCPPSOJ-UHFFFAOYSA-N 430.398 4.603 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1476040300 GMWPLARDEJSYCI-CEXWTWQISA-N 442.560 4.503 30 10 IJEE CCC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCN(c4ccccc4C#N)CC3)sc2C1 1476567587 BOVWCVSGLXQDSC-GOSISDBHSA-N 437.613 4.910 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H](c1ccco1)N1CCCCC1 1507540907 GSJADIJTPYAYLU-LADGPHEKSA-N 445.611 4.732 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](OC)C(C)(C)C1 1507559120 XRSUPBWGTPBRRA-LAUBAEHRSA-N 426.630 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(F)(F)Br 1507663436 BYRUVSZKQHZBEU-UHFFFAOYSA-N 449.343 4.693 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1507749782 ZUFMMNMCNZGPEN-ROUUACIJSA-N 428.671 4.939 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1507782308 ZSWBSWYKEHYPHL-IBGZPJMESA-N 440.389 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCN(C)C(C)C 1507816403 FKWNKCDQUHTSAC-UHFFFAOYSA-N 438.389 4.589 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1507819029 ZXANFLPXTFGBBM-WIOPSUGQSA-N 431.584 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1507899577 MAPCPHCAXOYDKF-NRFANRHFSA-N 430.600 4.653 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(Cc2cnc(C)s2)CC1 1507932685 YHVCMPNFCJYUOK-UHFFFAOYSA-N 440.592 4.528 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507938892 DMZDEJYYYVEVMT-TZMCWYRMSA-N 446.315 4.647 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCC1 1508007071 QYPNIWUXQCHZLM-HXUWFJFHSA-N 429.634 4.648 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CC=CCC1 1508009684 WVIJEMKWHNRRGZ-UHFFFAOYSA-N 441.004 4.510 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCc2ccccc21)C(C)C 1508014988 ZISCUJMLFULFMX-XMMPIXPASA-N 428.584 4.733 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC=C(C)C 1508017695 UTTBYFZMMNTNII-HXUWFJFHSA-N 429.609 4.927 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1508039807 QSLHAGYNGAAXQA-GUDVDZBRSA-N 430.980 4.583 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1508161995 JCAHDVIUDLYXBW-UHFFFAOYSA-N 433.572 4.589 30 10 IJEE CCOc1cccc(Cn2c([C@@H](C)CC)nnc2N2CCC(CC#N)CC2)c1OC(F)F 1516318597 BDKCTEJCDIVFCR-INIZCTEOSA-N 447.530 4.970 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(Br)ncc2Br)c1 1520540033 ICYZNXHBZOIAJP-UHFFFAOYSA-N 426.108 4.814 30 10 IJEE CCCn1c(=O)n(CCC(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)c2ccccc21 1527162899 BYEBQAHOOJATLY-JKSUJKDBSA-N 436.581 4.861 30 10 IJEE C=C[C@@H](COC)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1529848725 FTJFBJJNUSUCQV-KRWDZBQOSA-N 449.498 4.513 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C(F)(F)F)cc1 1532570258 NZWLLWJDFRMGJW-HXUWFJFHSA-N 436.451 4.845 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(F)cc2OCC(F)F)CCCN1C(=O)OC(C)(C)C 1537239769 AVZHFPYUTWAWPN-NRFANRHFSA-N 428.451 4.754 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(S(=O)(=O)CCOC)cc1)c1ccc(Cl)c(Cl)c1 1538191039 KSICSWJMNMEBDH-LJQANCHMSA-N 443.348 4.888 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1539049800 UFAMJOLKRPZVDF-UHFFFAOYSA-N 432.515 4.744 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nc(C(C)C)cs1 1539196317 JJWAKPXXCUBNDV-UHFFFAOYSA-N 432.018 4.921 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCC=CO1 1539566684 NIQXIVCCYIZZEX-HFZDXXHNSA-N 434.584 4.974 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCCC 1539622794 YAGUHWQPHWHIMW-IEBWSBKVSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539903109 SMZRGMIXAWHHEY-GYPIEGGISA-N 442.579 4.757 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539959673 NYCFCYABRFNYSK-KDURUIRLSA-N 432.012 4.500 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1539988908 JNLDTJYDOZWGSK-MRXNPFEDSA-N 428.943 4.506 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1540137093 PKXIUROUHKSLLO-UXHICEINSA-N 425.596 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1540153768 KRYJXWYBXKFBGI-NTKDMRAZSA-N 438.576 4.542 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1540885339 GSQSJSZZONEXLD-SFTDATJTSA-N 444.023 4.500 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H](C)N2CCCCC2)C1 1540887011 NPSLUKPKRFYUHM-UGKGYDQZSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(C)C)CC1 1540910888 OXKXGPJKWZLSPF-UHFFFAOYSA-N 425.602 4.577 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc(OC)c1OC 1543350921 IEKDZUMNEMVASP-HXUWFJFHSA-N 446.950 4.619 30 10 IJEE CCSc1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)ccn1 1552485409 FAKGBMOELAFYBF-MRXNPFEDSA-N 441.004 4.816 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)c(OC)c1 1557019278 QYEKRQFPOUMNTO-UHFFFAOYSA-N 427.544 4.825 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccccc2)C(=O)NC)nnc1-c1ccc(C(C)(C)C)cc1 1559321865 LQBZZKJSIVFJTB-NRFANRHFSA-N 434.609 4.878 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1Cl 1560335006 VGUFUEBMSOVOCT-LJQANCHMSA-N 436.886 4.791 30 10 IJEE C=CCCCCCCNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1564727519 TUEQISZWEAYFND-OALUTQOASA-N 443.485 4.508 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCc2cc(Br)ccc21)c1ccc(Br)cc1 1565000443 XKYPVUGBGQDYOF-QZTJIDSGSA-N 448.158 4.873 30 10 IJEE C=CC1(CC(=O)N2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCCC1 1570325662 SJRVTTBVSUWKTL-NHCUHLMSSA-N 434.621 4.824 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)n(-c2ccccc2Br)n1)c1ccc(Cl)cc1 1584690723 WVXIETHAYHKFGP-QGZVFWFLSA-N 428.717 4.701 30 10 IJEE C=C(C)[C@H](NC(=O)c1nn(-c2ccccc2)cc1Br)c1ccc(F)c(F)c1 1585439113 NRZWDWHDEXFPIL-SFHVURJKSA-N 432.268 4.960 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCSC1 1588181085 OKTQCQMGJHBLPF-MOPGFXCFSA-N 443.016 4.678 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC2(CCC2)C[C@@H]1CC 1589116389 HGDDFFAHVAQJBL-SFHVURJKSA-N 428.577 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC=CO1 1589251292 LBMUQBUGQZPSDN-PGRDOPGGSA-N 428.989 4.909 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)C1 1589505942 PUFAUOLINURUAD-WDYCEAGBSA-N 431.378 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)c1ncc(C)s1 1589625572 IWWXWIOAMNHEIA-MRXNPFEDSA-N 441.601 4.933 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1)c1ccccc1 1593788709 CUHZQZLMNRDFSL-GMAHTHKFSA-N 437.632 4.711 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCc1ccc(OC)cc1 1593844533 BWZCCUSOLMDVJG-UHFFFAOYSA-N 432.355 4.824 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1594436717 DAFNOCDSLUQKNY-OAQYLSRUSA-N 425.646 4.623 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC)C1 1594608158 GXHNGPLRVSQPPU-LJQANCHMSA-N 434.588 4.658 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CC1 1595044233 PRUDDLXIODURST-QZTJIDSGSA-N 444.023 4.641 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1595142219 PIUPBGZGUXBWIV-SLFFLAALSA-N 445.677 4.934 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC12CCOCC2 1595191667 VHMOLLJMBFHHQH-HNNXBMFYSA-N 449.418 4.764 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)c1nc(C)cs1 1595291921 SUHXLUKNVPCRGC-MRXNPFEDSA-N 436.585 4.634 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2ncc(CC)s2)cc1 1595608534 SYOBJOJNYRLDSA-UHFFFAOYSA-N 448.596 4.552 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](OCCC)CC2)cc1 1595613978 LTSQJPUQSPSNTK-QHCPKHFHSA-N 447.583 4.739 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cc(Cl)ccn2)cc1 1595614275 QZWRHJVIBUHTHX-UHFFFAOYSA-N 434.931 4.571 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1595845565 WHINOZNILAFQOW-LJQANCHMSA-N 433.021 4.771 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 1596874793 PUXWQGJSDDFPKX-INIZCTEOSA-N 449.370 4.709 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(C)CCCO2)C1 1611765190 GVFOXZKKJKJHTJ-NHCUHLMSSA-N 434.371 4.951 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)c2nccs2)c1 1612242423 CUJRMLVXFIRIAE-MBSDFSHPSA-N 436.585 4.556 30 10 IJEE C[C@H]1C[C@@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1612705648 CNPZWKOFDJFLDT-FZMZJTMJSA-N 429.368 4.719 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1618972187 FBJNLODWXGAHGY-GPMSIDNRSA-N 433.984 4.728 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 1621753308 MJSZPEZIABUFRN-UHFFFAOYSA-N 440.908 4.933 30 10 IJEE CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](COC)Cc1ccccc1 1622983422 FXXMPYOUMVAYLS-JOCHJYFZSA-N 430.508 4.857 30 10 IJEE CN(C(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1)C1CCCCC1 1626513305 HTXPFQWCIROIGD-UHFFFAOYSA-N 446.551 4.710 30 10 IJEE Cc1csc(Nc2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2)n1 1628283628 CZYQUMNLZQWUDT-UHFFFAOYSA-N 443.326 4.847 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)C(C)C 1632734284 FONQFKVLBZGLAL-GPJHCHHRSA-N 447.664 4.617 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)c1ccccc1 1633305885 LINYBMXMEQOXIQ-HOCLYGCPSA-N 435.387 4.843 30 10 IJEE C=CCC[C@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2n1)c1ccccc1 1633419362 ZPFIWLPGKVUZKS-FQEVSTJZSA-N 441.373 4.954 30 10 IJEE C#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)cc1 1635314865 RDBGPJLKTVZDEI-UHFFFAOYSA-N 432.545 4.916 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(Br)cc(C)cc2C1)c1ccc(Cl)cc1F 1636567651 WLJRFGYHNQBNJN-IBGZPJMESA-N 435.724 4.992 30 10 IJEE C#CCN(C(=O)c1cccn1[C@@H](C)Cc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789363 DZPQYOGSZGGBME-NRFANRHFSA-N 449.595 4.767 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cc(O[C@@H](C)CC)nc(C)n1 1649609592 SYUTWWBOWKTVOU-AWEZNQCLSA-N 429.521 4.609 30 10 IJEE CC(=O)[C@](C#N)(CCSc1nnc(COc2ccccc2Cl)n1C)c1ccccc1 1651653525 HNZGITKGXCAXOC-JOCHJYFZSA-N 440.956 4.580 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCC(C)CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652349320 UTKSXZWXZKOINM-HOTGVXAUSA-N 445.654 4.508 30 10 IJEE Cc1ccc([C@H]2CCC[C@@H]2N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 1654328469 FDTUTAHCSGKTKP-UXHICEINSA-N 433.371 4.586 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@@H](N[C@H](CC)CC#N)c2ccccc2)sc2c1CCCC2 1654660982 DELLXULLSYWMME-UTKZUKDTSA-N 439.581 4.765 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C(F)(F)F)cc1 1654702965 UVUMMSONQDPYIS-MRXNPFEDSA-N 428.432 4.908 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCN2C2CCCCC2)cc1OCC 1658297267 AQZSOSQADIWFJZ-LJQANCHMSA-N 437.422 4.909 30 10 IJEE C#CCC1(NCC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)CCCCC1 1660314305 DSXIRHPZIHFEJY-UHFFFAOYSA-N 442.357 4.891 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)cc1 1666389410 FYJZUDNAYSEMAR-HNNXBMFYSA-N 432.446 4.797 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)c1ccccc1 1670776380 YGFZYFJAEQJSJR-HSZRJFAPSA-N 442.567 4.574 30 10 IJEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1671271695 AOVJRZVPQNYYRP-LJQANCHMSA-N 444.454 4.518 30 10 IJEE Cc1cccc(-c2cc(Cl)ccc2NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1671324215 CCGPELNQHDWFOZ-QGZVFWFLSA-N 446.942 4.720 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NCCN(Cc2ccccc2)c2ccccn2)cc1C#N 1671570042 GRYKGOQIYQTLFJ-UHFFFAOYSA-N 443.551 4.959 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 1675014207 IMMXQORCZFOECS-VWLOTQADSA-N 449.570 4.992 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1cccc(F)c1F)[C@H]1CCOc2ccc(Br)cc21 1680787467 OALBDNXQXWUVLD-ACJLOTCBSA-N 449.295 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)ccc1F 1689836148 ZDBUFQTXCFVKBW-GJZGRUSLSA-N 426.536 4.916 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1689919326 JYZIALZQZPWQMS-RBUKOAKNSA-N 442.991 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCN(C)C1CCCCC1 1690033328 VKKFNSXWKZXICO-VWLOTQADSA-N 431.628 4.547 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2ccccc21 1690086292 YOVMBJUGASYQOE-UNMCSNQZSA-N 449.599 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1COCCO1 1690259366 GVWGRACVAQXZJJ-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1690284527 GJOVMOPZCYROTL-GGAORHGYSA-N 430.600 4.714 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(F)F)c2)CC1 1690394752 LCJYLUXYQNHHPN-UHFFFAOYSA-N 431.531 4.585 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)CN2CCCC2)CC1 1690405079 ZLRRVVISRHSAIX-QGZVFWFLSA-N 431.987 4.872 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)[C@H]1C)c1ccccc1 1690445424 XNCXGAQZLLZORO-IFMALSPDSA-N 431.584 4.628 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1690447885 ZGPRRKVOGLTXGQ-DHIUTWEWSA-N 449.643 4.722 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690560221 QQKVKRPDODAHJZ-KMDXXIMOSA-N 447.583 4.565 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC[C@H](OC)C(F)(F)F 1690562951 ATWCVTMABVZQAC-IBGZPJMESA-N 431.462 4.500 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1690595569 ZDAHVXMYERWOGP-IBGZPJMESA-N 429.609 4.761 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690737564 PYGYZEZXIAMAJH-KRWDZBQOSA-N 444.992 4.593 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)CC(C)(C)C1 1690747294 XOQICPAPCTXYJI-FXAWDEMLSA-N 428.602 4.582 30 10 IJEE Cc1noc(C)c1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1693524998 HLTDDJZVZLVGDN-PBHICJAKSA-N 442.951 4.657 30 10 IJEE C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)C1 1693662166 BGZBDSYNLIKJAJ-PCCBWWKXSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccnc1OCCCC 1705485536 KQLHCLOCTSPBLO-IBGZPJMESA-N 440.551 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc([C@H](C)OC)n1 1705577546 KIBIELGUDNGYAZ-SFHVURJKSA-N 447.608 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cccc1Cl 1705670808 KBDSECVDWQMTQL-OAQYLSRUSA-N 430.314 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC[C@@](C)(CC)O1 1705677657 XDGNRBSGOXRMEH-LPPUWEFUSA-N 436.600 4.814 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705687332 ASZVEVGEGOVPIJ-ZYSHUDEJSA-N 445.405 4.801 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)c1cc(OC)cc(OC)c1 1705697930 YXRWXTRRUQDOQR-HTAPYJJXSA-N 438.528 4.613 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCCCC1 1705706869 ADOZFAAOBZQGTI-ZHHKINOHSA-N 430.637 4.947 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705731752 BRLWAVMNINTIIL-SIKLNZKXSA-N 426.605 4.697 30 10 IJEE C=C(C)COCCn1c(N2CCSC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1705740412 KKMJYQXEKRRPOL-UHFFFAOYSA-N 426.630 4.673 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1705766674 JRMQEZUKRMBHMK-UHFFFAOYSA-N 434.563 4.961 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCOC[C@H]2C)CC1 1705777589 HHYBPXCYFWOQQW-SJLPKXTDSA-N 430.980 4.682 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 1705796764 JXCIILYHLDBFDJ-IRLDBZIGSA-N 437.632 4.579 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1705804005 MGFCFRDXPMMKHP-QHCPKHFHSA-N 435.547 4.786 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705812103 QZGIPNFGBHZMPR-DNQXCXABSA-N 448.615 4.505 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC1(O)CCCCCC1 1705866611 VFNRODHYIVCVFJ-HXUWFJFHSA-N 430.618 4.859 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705888439 YJCKTODGSSJRQX-OAHLLOKOSA-N 431.378 4.919 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1C 1705890527 VFUNHDGLVCZNID-UHFFFAOYSA-N 425.577 4.523 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CC2(C)C)C1 1705921185 NHSFJDBJWAAFOI-VQTJNVASSA-N 440.588 4.568 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCCCC2)cn1 1710024540 ACRDGHLCWAJJSV-UHFFFAOYSA-N 443.599 4.875 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1coc(-c2cccs2)n1 1711084367 FROWEMSWZCHWFM-UHFFFAOYSA-N 432.553 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CCc1ccc(Br)s1 1722287934 TYIKRJZQAWIYMV-HNNXBMFYSA-N 429.387 4.778 30 10 IJEE C#CCCCCn1c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1722322704 OSAWGKTXIAIFEO-OAQYLSRUSA-N 429.008 4.983 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCC 1722455552 SSWCHFAKHJIUPS-UHFFFAOYSA-N 427.799 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H]1N(C)CCCC1(C)C 1722474628 PEXLXAWSQPURHM-WNCULLNHSA-N 433.644 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)CC1CC1 1722494502 CFKLUGQQBOUCHL-PXNSSMCTSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](F)C1 1722517721 XHAXLKCUGBIEQI-YRXWBPOGSA-N 435.588 4.589 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722605056 UADQFDRCYKNZHI-VQTJNVASSA-N 431.625 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1csc(CC)n1 1722669025 JPASPWQSAXCMBQ-UHFFFAOYSA-N 432.553 4.846 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722703667 YZJVELMPRRVYNI-JKSUJKDBSA-N 431.968 4.524 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(CC)CCC2)C1 1722710432 ITBYDWMCXDXNCD-WIYYLYMNSA-N 428.552 4.919 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCCN(Cc3ccccc3)C2)o1 1724287361 DLDUVZYXZYFEAN-NFBKMPQASA-N 446.599 4.745 30 10 IJEE COc1ccccc1[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@H](C)CC#N)N1CCCC1 1730257329 DGSHUEIIUVITDA-KNQAVFIVSA-N 436.604 4.520 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@H](SCC)C1 1740595756 YAQOYZHFKQAGSR-NRFANRHFSA-N 426.630 4.999 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1[C@@H]1C[C@H]1CF 1740648406 GJTBXQOEVSDFFM-CMKODMSKSA-N 428.939 4.682 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(CC)C(C)C 1740663303 FXARIFRAKXTBDX-UHFFFAOYSA-N 436.629 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(F)cccc1SC 1740769569 ZDCHIQIBTIYWJJ-HSZRJFAPSA-N 448.608 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC1(O)CCOCC1 1740769714 RXJWGZKGUMUOSC-UHFFFAOYSA-N 426.605 4.577 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccccn1 1740789776 QJQMEOQTUQISTP-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cc(F)cc(C)c3C2)nnc1[C@@]1(OCC)CCOC1 1740851676 BQDWDXXRYLXVKV-RUZDIDTESA-N 442.579 4.543 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(CC)C1)c1ccccc1 1740855158 UGIDTCMKXKTQGB-RLWLMLJZSA-N 444.583 4.912 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1740861242 GRRKZCDRDOGVCA-QFIPXVFZSA-N 430.600 4.797 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740869689 VUVHVIFMOFWOGB-RBUKOAKNSA-N 441.576 4.552 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740944283 WVMAGCMEGFKFLZ-HNNXBMFYSA-N 444.004 4.742 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740944520 NEEWBUUCACNJCS-JTBPQFFMSA-N 440.638 4.691 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 1740997372 ZCNJXRKNPXLYGF-XLIONFOSSA-N 448.608 4.728 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CC#N)c1ccsc1 1746077031 BUYHJQQIMMIUHS-LAUBAEHRSA-N 440.592 4.967 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1ncc(C)s1 1748913473 WBVAYRVTKNGYPM-AWEZNQCLSA-N 444.402 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)CCC(C)C 1749061126 LFWNTWAHGHVXAA-CLJLJLNGSA-N 431.584 4.673 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CCOC)CCCC2)CC1 1749317652 WRHXPUDHONNXNP-NHCUHLMSSA-N 430.637 4.950 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1749393201 NVNDOFAKMYMFGM-IBGZPJMESA-N 444.023 4.943 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1749433325 GFTRQARCTPZEEI-IBGZPJMESA-N 431.378 4.537 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](C(F)(F)F)C1)C(C)C 1749557967 PNNUTFDLQVPIRV-RTBURBONSA-N 425.543 4.633 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC(C)(C)C1 1752311572 CYRKGMKENHKBLT-NQIIRXRSSA-N 432.572 4.585 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1C1CCCCC1 1760120642 NHLXODIPXGYEDC-WIOPSUGQSA-N 433.644 4.708 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1oc(CCC)nc1C 1760227478 FYJNYQIDBSENQW-KRWDZBQOSA-N 441.963 4.828 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1cccs1 1760229202 IPZBHMUJURWPAG-UHFFFAOYSA-N 432.549 4.881 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C=C)CC1 1760285332 CFPIMIIUGXFCSD-UHFFFAOYSA-N 438.641 4.923 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@]2(CC=CCC2)C1 1760287258 LSRRBFKZSSYVIB-DNRQZRRGSA-N 442.673 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CC(O)(CCC)CCC 1760293315 RHMJODKRWKGHNE-RUZDIDTESA-N 433.600 4.760 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOCC1CC1 1760319085 QSAMQIKCJXCTPB-UTKZUKDTSA-N 448.970 4.582 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1nccs1)c1ccccc1 1760418691 WSSLFGBFBWRLGJ-FQEVSTJZSA-N 430.581 4.835 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1760420690 UFJSZJFSFCXKOW-OTNCWRBYSA-N 444.627 4.543 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(SCC)c1 1760458605 MSUXHUDTPHTHRQ-UHFFFAOYSA-N 429.977 4.785 30 10 IJEE C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1763206902 AQPXZMORBJAJRX-XCGNWRKASA-N 431.943 4.540 30 10 IJEE CCC[C@@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N)OC 1763855535 CXSYBXMMFQDZRA-LPHOPBHVSA-N 438.601 4.788 30 10 IJEE CO[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccc(C#N)cc1 1769564532 GIHOBRQXHDAWKO-DLBZAZTESA-N 435.597 4.674 30 10 IJEE CO[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 1769640783 APJRRKGTOPMXIL-NZQKXSOJSA-N 436.947 4.511 30 10 IJEE COc1ccc(/C=C2\SC(=NN=Cc3ccccc3O)N(Cc3ccco3)C2=O)cc1 1772756837 DXMWZBJOGLDEOZ-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE COc1cc(C=NN=C2S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 1772758611 ZZRWYGJIIRBPEL-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE C=CCc1ccccc1OC[C@H](O)CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 1772765731 CZQVWTBBQUKDBF-ZHRRBRCNSA-N 440.342 4.674 30 10 IJEE COc1ccc(N(C(=O)c2cccc(C#N)c2)C2CCN(Cc3ccccc3)CC2)cc1 1859967404 GDTIAEQLSSVLFW-UHFFFAOYSA-N 425.532 4.878 30 10 IJEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)c3ccc(Br)cc3)c2)c1 1860132965 LBJCSJWXJNEJRT-UHFFFAOYSA-N 435.277 4.835 30 10 IJEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1860577557 PBQOGYZUSJTQDO-AWEZNQCLSA-N 434.323 4.609 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1861125238 LVABPCDLOFKNDN-GQRCBVMOSA-N 437.540 4.942 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)ccc1O 1862386808 WTJLXJNXACMQPW-GOSISDBHSA-N 436.291 4.696 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862448616 QXPCDUDBXNNASY-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862488094 QQALNVMZKBBKOP-IBGZPJMESA-N 428.872 4.935 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862540164 HXTUHNLAFCVESS-FQEVSTJZSA-N 443.927 4.995 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 1862583089 SRHCJNAMVNZJRH-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862596535 IKXKRSSMULDXAW-QFIPXVFZSA-N 449.528 4.673 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862600654 OSSZJAQEAOIYLD-HSZRJFAPSA-N 434.536 4.759 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862758179 YGQKKQISLLYALX-NRFANRHFSA-N 433.464 4.845 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 1862948667 ZOXMDEORIHCOMO-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2cccc(SC)c2)C1=O 1863062431 CZJDYOPIHSOAAV-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863124773 PZBDHUOGUGENAW-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCCN(C)C)C1=O 1863644366 HHYANIFUWHPUIY-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN1CCCC1 1870462165 MDAFQZUYTDBUSW-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2CN(CCC(C)C)CO3)C1=O 1871353523 SXLKSTCKBJJCGR-KSEXSDGBSA-N 439.508 4.527 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871798793 RQGZYRFQRLWFBJ-KDOFPFPSSA-N 435.417 4.965 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871876704 UVLGKZJBGQBAKU-FQEVSTJZSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCCCCCC)cc1)[C@H](C)CC)S(C)(=O)=O 1872175264 SFIUEYZTRHCRGK-DENIHFKCSA-N 438.634 4.837 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)CCCC 1872348298 DAGHQCVHOHIELB-HSZRJFAPSA-N 449.661 4.792 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872523936 KIGGBIRDUXFRSV-IIBYNOLFSA-N 434.627 4.985 30 10 IJEE Cc1ccccc1OCCCC(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773295 MRYUJPZCNURCIK-GOSISDBHSA-N 434.517 4.925 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(OC)c1 1872783660 FNEYURPTCARTML-HNNXBMFYSA-N 443.868 4.879 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(NC(C)=O)cc2)n1 1872788547 KWNMWSZOVWPJPQ-SFHVURJKSA-N 439.924 4.849 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)Cc1ccc(Cl)cc1 1873685216 CIUGYYFLVLDJPI-UHFFFAOYSA-N 442.968 4.958 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1cccc(F)c1 1874202190 PBQKHZFYFBSMSY-PCLIKHOPSA-N 442.560 4.994 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccn1C 1874289843 ZVNJGOAXULFVPR-MFKUBSTISA-N 447.564 4.687 30 10 IJEE C(=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1)\c1ccncc1 1874315676 FDEOZOJGAPNRJZ-NLRVBDNBSA-N 429.549 4.859 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccc(O)c2)c1 1874421979 OAZFUNVANUSFTH-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)ccc1O 1874462916 KUDSWAQNUYWFEP-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1c[nH]c2ccccc12 1874509714 QWSYIEXVJFMUNK-VULFUBBASA-N 446.580 4.942 30 10 IJEE COc1ccccc1CCc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874563979 HXKXMYGZYJYKJP-YZSQISJMSA-N 444.560 4.822 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(OCC)cc2)cc(Cl)cc1OC 1874577811 GXLZTJZATHVXSV-DHZHZOJOSA-N 432.900 4.975 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)cc1OC 1874580672 AJODGTGRFOGSRT-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 1875100635 HFAOFYVRLHAANM-VAWYXSNFSA-N 439.464 4.994 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875169528 LZZVIEOYVVZRKM-AQKVLALTSA-N 444.911 4.955 30 10 IJEE C[C@](Cc1ccc(C#N)s1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951801804 XXITWQNQPVDLLI-XMMPIXPASA-N 432.501 4.544 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 1963648991 RODUSBREFIRKKG-IGCXYCKISA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3c(Br)cccc3C#N)CC2)CCC1 1965666901 NELQSSDYFICDQY-UHFFFAOYSA-N 434.378 4.985 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2032368175 HRUNCBIUOZHRGL-MJGOQNOKSA-N 445.560 4.976 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1O)c1ccc(Cl)cc1 2033813660 FASOFBCHBWVLCD-LJQANCHMSA-N 425.893 4.886 30 10 IJEE Cc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)c(O)c1 2078999891 XGNXTERGZGFZPB-KRWDZBQOSA-N 435.309 4.886 30 10 IJEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)c(F)c1 2080089171 UYGJINYYQNLCGH-AWEZNQCLSA-N 432.240 4.929 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(F)c1Br 2089289475 QPBUAMHYSPJTBR-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE C#CCN(C[C@H](Cc1cc(Cl)c(C)c(Br)c1)NCC)C(=O)OC(C)(C)C 2111272394 JSPIZEVZUORKMQ-INIZCTEOSA-N 443.813 4.802 30 10 IJEE Cc1nc(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2116073031 LMGCSMZPQWNNIS-FYYLOGMGSA-N 436.405 4.509 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c2nsnc12 2137379121 YPFACNIJIKRNMR-KGLIPLIRSA-N 441.395 4.574 30 10 IJEE C=CCC1([C@@H](NC)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2142389948 ZETZNZLKMWLGRM-KRWDZBQOSA-N 425.367 4.531 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)CC1(C)C 2181112113 LZLVWVAXKUCOOT-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE Cc1sc(Br)c(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c1C 2194129068 SDRTZQYMTJCDJN-ORAYPTAESA-N 440.212 4.826 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(Br)c(C#N)c2)C1 2203262399 QJVOLXNRMYJBGH-DZGCQCFKSA-N 436.350 4.733 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cn(CCN(C)C(=O)OC(C)(C)C)cn1 2218298889 FWMZTUFWQHTEIK-HSZRJFAPSA-N 442.604 4.564 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CN(C(=O)OC(C)(C)C)C1CCOCC1)NCCC 2250675430 ZOXKCJAOYIXQSL-HSZRJFAPSA-N 432.605 4.544 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](F)[C@H](C)CNC(=O)OC(C)(C)C 2296299325 UDWSZMXFZSGTOX-ATZDWAIDSA-N 441.385 4.668 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(F)cc1I 2296305457 UJUWFTZWBLXBSF-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE COC(=O)C=C1SC(=Nc2cccc(SC)c2)N(c2cccc(SC)c2)C1=O 2297562259 NBBLJCUYSGGNTL-UHFFFAOYSA-N 430.576 4.955 30 10 IJEE CC(C)(C)OC(=O)N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2317348946 UTIMPNUTGQEGNW-UHFFFAOYSA-N 430.354 4.505 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(CN3CCCC3)c(O)cc(C)c2C1=O 2323984968 QGBOQCPTTQVYHJ-UHFFFAOYSA-N 444.325 4.684 30 10 IJEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2324081048 UFVVCXWENPMNPF-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)C(=O)Nc1ccc(F)cc1 2324306772 RQIASAPEILXCMX-CQSZACIVSA-N 448.406 4.756 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc5c(c4)OCO5)c3C)C2=O)c1 2325182552 HZUDOQBYCXECPV-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)cc1 2325301878 LGYLPTVUWJXFMA-INIZCTEOSA-N 440.455 4.589 30 10 IJEE CCOCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325652906 LRIRLBUAUANCGD-UHFFFAOYSA-N 438.520 4.867 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(=O)O)cc1 2326943783 SVVYOQDAKITAQF-UHFFFAOYSA-N 436.581 4.896 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329918228 ZTLNNMXCHHPIKV-UHFFFAOYSA-N 443.916 4.969 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2[C@H](C)c2ccccc2)cc1 2330133871 WSNWPKKWUINZPN-LJQANCHMSA-N 436.581 4.912 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCO)cc1OC 2330297143 QOXBXJFDJSHABV-UHFFFAOYSA-N 446.617 4.555 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)cc2)cc1 2331039582 UQIBNCFEZOPMOZ-UHFFFAOYSA-N 449.580 4.817 30 10 IJEE CC[C@@H](NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338510746 AHEKEPVVCBGPPX-WIYYLYMNSA-N 446.441 4.530 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339593516 HGGQZVLYTLDXHE-WTWCKAPFSA-N 443.397 4.832 30 10 IJEE Cc1cccc2c1N(C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)CCN2C(=O)OC(C)(C)C 2352853779 ZBGPFPPCFIMEFQ-IRXDYDNUSA-N 442.365 4.565 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C3\Oc4cc(OC)ccc4C3=O)cc2OC)c1 8823831 BMFKJSHMEHWXAO-FMCGGJTJSA-N 432.428 4.548 30 10 IJEE Cc1nn(C)c(C)c1CN/C(=N/C(=O)c1ccc(C(C)(C)C)cc1)Nc1ccccc1F 32972327 SBOLBLLZIJKOCC-UHFFFAOYSA-N 435.547 4.872 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2ccccc2F)c(C)n1 32972992 CPLFFGLPLXOEAJ-UHFFFAOYSA-N 427.911 4.792 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 33935782 BSFNBAVXBFNRNX-QFIPXVFZSA-N 431.419 4.835 30 10 IJEE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(N/N=C/c4cccs4)n3)c2)C1 33960113 WXLWNIPBDAYCCL-VRCTWVPOSA-N 446.623 4.738 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 41285301 YVKGTVRUFKGRAO-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)N[C@@H](C)c2ccccc2)n[nH]1)c1ccc2ccccc2c1 59022242 VEGQTBWPPQQSIT-OSMCOOEVSA-N 444.564 4.764 30 10 IJEE C=CCn1c(SCCCOc2cccc(I)c2)nnc1C1CC1 63415614 DVFOPLANXJEVNC-UHFFFAOYSA-N 441.338 4.507 30 10 IJEE C=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1 66096232 JKMVQMYAQWZWEL-UHFFFAOYSA-N 443.547 4.964 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2cccc3cccnc23)n(C2CCCC2)c1C 98003479 YZZKJNIYHLVVRT-SEYXRHQNSA-N 442.519 4.835 30 10 IJEE Clc1ccc(/C=N/c2ccc3c(c2)OCCOCCOCCOCCO3)c(Cl)c1 100393554 JUYOEGPECWGAAD-BUVRLJJBSA-N 440.323 4.565 30 10 IJEE O=C(O)/C=C1\S/C(=N/c2ccccc2Cl)N(CCc2c[nH]c3ccccc23)C1=O 101379799 FSGMUPNEMYIEIF-USFSGSQCSA-N 425.897 4.595 30 10 IJEE CCCOc1ccc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 169902075 LNBVSPUFNOPIBZ-LFVJCYFKSA-N 432.586 4.792 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(OC)cc2)cc1 169921766 DBSIISLSDAQFIS-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2O)c1 169931784 CTOZGPWMWAYKLB-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)cc1 169960629 NNPZEASZNGTQBG-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccn2)c1 169998000 GGQVCVBNXURLJM-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccncc1 170019423 ZIPDZZUMFBKBAG-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)cc1 170049695 QYWVGVRYIVRHMA-QHCPKHFHSA-N 427.456 4.549 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1 170068485 AFXPYOHTDFKCJE-QFIPXVFZSA-N 440.971 4.993 30 10 IJEE CCCOc1ccc(C2=C(N3C[C@H](C)C[C@@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170091124 INOHIJQYCXTHIF-RTBURBONSA-N 443.547 4.609 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)cc1 170162070 GFHWGSDHTVKPGD-RXVVDRJESA-N 441.549 4.540 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)cc1 170168090 DPXYGUIYUQFLCB-NRFANRHFSA-N 434.517 4.710 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)c(C)c1 170248727 OFTGORYUYZJTQT-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccco2)cc1C(C)C 170280612 UOYQXVYAMWWIBA-QFIPXVFZSA-N 441.524 4.723 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2ccco2)cc1 170285207 FNSADNMFRQJDLA-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccc(C(=O)O)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170468255 LPDMZHOPHSQQMD-NRFANRHFSA-N 435.520 4.803 30 10 IJEE N#C[C@H](C(=O)c1ccc(F)cc1I)c1ccc(Br)cc1 236207880 UFPAHTXSVMYBTF-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE COc1ccc(Nc2nc(NN=Cc3ccccc3O)nc(Nc3ccccc3)n2)cc1 254406232 TZBDAIDEGKNHJW-UHFFFAOYSA-N 427.468 4.519 30 10 IJEE C=CCN(C(=O)CCc1ccc(Br)c(C)c1)c1nc(C(=O)OCC)cs1 433415375 SJJDTDOVRKJRTC-UHFFFAOYSA-N 437.359 4.543 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 441438697 KBDJTWHCBXOCIA-UHFFFAOYSA-N 428.414 4.569 30 10 IJEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCC[C@@H]1c1csc(C)n1 460541666 APEXYAGZZSXCML-JOCHJYFZSA-N 434.613 4.913 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)c1c(F)cccc1I 471781525 QDPMDPNYVHSPHZ-NSHDSACASA-N 440.281 4.934 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2onc(C)c2C)c1 478530331 PJDZYAJOOJUNGH-UHFFFAOYSA-N 445.928 4.578 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503100565 CRQMZDZKKZVAHU-JLCFBVMHSA-N 431.533 4.697 30 10 IJEE C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 508940013 WASSIEWERFTMHY-CQSZACIVSA-N 437.491 4.702 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2OC)c1 516677118 PGTYXGWKXVJEDS-YSZBQJHXSA-N 434.536 4.672 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(N(C)C)cc2)c1 526606204 IVBDVQLJZXJYPF-XMMPIXPASA-N 425.488 4.690 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(OCc2ccccc2OC)CC1 549655184 OUYDSWQQLYVPBL-UHFFFAOYSA-N 438.597 4.701 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 578486559 UECMUJIKFCVEII-VWLOTQADSA-N 434.515 4.598 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](COCc2ccccc2)C1 579737556 NSHCDFVBBQHQQS-URXFXBBRSA-N 430.552 4.574 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 581576168 UAFAWFAFYXCYTB-SFHVURJKSA-N 432.509 4.991 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cc(C)cc(C)c2)cc1OC 586207965 RWIPUCRKGCGQQV-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)Nc1cccc(C#Cc2cccs2)c1)c1ccccc1 608273060 DOYZEOSMXQBKJF-QHCPKHFHSA-N 426.545 4.987 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 698426923 HKVWHOIIZNWYQJ-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE O=S(=O)(c1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1)N1CCOCC1 725427151 JEQQTALAHRRLKZ-UHFFFAOYSA-N 430.529 4.765 30 10 IJEE C=CCOc1ccccc1CN(C(=S)Nc1cnn(CC)c1)c1ccc2c(c1)OCO2 726122970 BLPGQIYAPDSBFQ-UHFFFAOYSA-N 436.537 4.600 30 10 IJEE Cc1cc(COc2ccc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)cc2)oc1C(=O)O 731564515 HUARWMNVJMXOSR-YWEYNIOJSA-N 447.365 4.881 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(F)cc1 733201068 JHRFGCBVYCCRDF-SFHVURJKSA-N 447.894 4.602 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C(=O)OC)cc2)cc1 766290804 YWDCKOAZKAZFTI-UHFFFAOYSA-O 444.536 4.518 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)c1cn(C)c2ccc(F)cc12)c1ccc(Cl)cc1Cl 796891257 FERISLIXBOFDLF-MEDUHNTESA-N 432.282 4.824 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NCC3CCC(C#N)CC3)c3ccccc3O2)C1 799724897 AQMFAIFFBWTEOS-XUBYPOIRSA-N 425.573 4.809 30 10 IJEE COc1ccc(C(C)=NNc2nc(SCc3cccc(Br)c3)n[nH]2)cc1 1084263257 RAKQQEQBJKHVKB-UHFFFAOYSA-N 432.347 4.704 30 10 IJEE C=CC[C@]1(C(=O)N2CCCN(C)c3ccc(Cl)cc32)CCCN1C(=O)OC(C)(C)C 1126486463 ZJOQUEOLWOWTAP-HSZRJFAPSA-N 433.980 4.859 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1128664806 YVOHEOFJBTVIHZ-INIZCTEOSA-N 435.351 4.966 30 10 IJEE N#Cc1ccc2c(c1)N(C(=O)Cc1csc(-c3c(Cl)cccc3Cl)n1)CC(=O)N2 1129604280 AZOFPMBJATUQCF-UHFFFAOYSA-N 443.315 4.516 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1129728139 KREXZLOFKVSTNU-NRFANRHFSA-N 426.495 4.817 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OC)cc1OCCC(C)C)c1ccc(Br)cc1 1129730304 FLTCFHHNJKUUCS-FQEVSTJZSA-N 430.342 4.987 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 1135612598 CRMUYRKYOBFDFG-AREMUKBSSA-N 425.532 4.704 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1148674577 LNCAWYIILGGVTJ-IAGOWNOFSA-N 441.450 4.516 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1OC 1154571310 HQLMMNJWMDEHER-AEZSJILPSA-N 431.891 4.666 30 10 IJEE C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CCN1C(=O)OC(C)(C)C 1154653727 GVRRUKJUZRJUEJ-KRWDZBQOSA-N 437.565 4.791 30 10 IJEE C=CCC1(CNC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CCCC1 1157766149 CLROQERGDLWYQX-UHFFFAOYSA-N 442.581 4.671 30 10 IJEE Cc1ccc(SCc2cccc(C(=O)N3CCN(c4cnccc4C#N)CC3)c2)c(C)c1 1160050709 FXOTVUCLOWINRH-UHFFFAOYSA-N 442.588 4.825 30 10 IJEE COc1ccc([C@H](C)NC2CCN(Cc3ccc(C#N)cc3)CC2)c(Br)c1 1178355218 CCLKAQKQPVJFBV-INIZCTEOSA-N 428.374 4.645 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 1192687244 GYYMUTVRIRVSJW-OAQYLSRUSA-N 428.966 4.918 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1205644357 OLINNAAZQNFQKC-UHFFFAOYSA-N 431.558 4.671 30 10 IJEE C#CCC1(NC(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CCC1 1214212069 COZVMKVOBPEBJB-UHFFFAOYSA-N 435.524 4.804 30 10 IJEE C=CCC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCC1 1272417067 SDXUCFVHWJVZTF-VKAVYKQESA-N 434.652 4.982 30 10 IJEE C#C[C@H](NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccc(Cl)cc1F 1275499134 VVQPEMLRLSBCTL-KRWDZBQOSA-N 443.824 4.852 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N1CCC[C@H](C)C1 1286278456 DAIZJCDYTBBBON-UFYCRDLUSA-N 439.673 4.854 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)[C@@H](C)CC 1286402422 ZJRNIXPKGXKBJF-RXVVDRJESA-N 447.608 4.511 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(C)C)C1 1286500904 GYBJOMJTWKPGSR-KRWDZBQOSA-N 433.021 4.846 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)CC1 1286548983 CSXUNDVUHUGPFB-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N 1286549602 GCQQIEFCPXYSTI-CLCXKQKWSA-N 434.371 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC(F)(F)F 1286550226 CMAYGLXTOHPNAR-DAYGRLMNSA-N 442.457 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CCSC 1286560931 KKHUZRNBEJAEQS-HMFYCAOWSA-N 439.629 4.985 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1286596086 TXGYMYLJGDCKON-RUZDIDTESA-N 435.660 4.978 30 10 IJEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1286631208 CUOBNMHWNCDHAQ-KRWDZBQOSA-N 427.763 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCCO2)CC1 1286657210 VMAIPHSCWXKXNW-LJQANCHMSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC(C)(C)C1 1286671958 CPBIHZKATBQKFI-UHFFFAOYSA-N 437.636 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2Cc2ccccc2)nnc1[C@]1(OCC)CCOC1 1286677082 XNZJULMRDYZZDN-NVQXNPDNSA-N 438.616 4.744 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286696261 YUBVYYXMLMNUME-RTWAWAEBSA-N 440.588 4.712 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](COC)C1 1286704178 LSKOPLPRFWZUFP-FQEVSTJZSA-N 426.605 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CCCC(=O)N(C)C 1286746971 BTBAIKNFJNNHOJ-UHFFFAOYSA-N 444.004 4.721 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286772589 KDMZZFRXIYFPLO-SJORKVTESA-N 445.995 4.914 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N(C)Cc1cc(OC)ccc1Br 1286775212 QLCVKWNZICFSRX-UHFFFAOYSA-N 433.375 4.524 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CC[C@H](F)C2)C1 1286800110 GFBUAXDHHHFKER-MYGLTJDJSA-N 442.579 4.954 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(C)(C)C1CC1 1288943846 BHESKOCRVCKJTP-JXFKEZNVSA-N 443.979 4.627 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1295134644 LJQXKEFEDCFIMH-QRQLOZEOSA-N 438.490 4.764 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)C1 1297859002 AEGRSSFOYAEEER-FCHUYYIVSA-N 432.597 4.565 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(C(=O)c2ccccc2)c[nH]1 1299169598 IIFQRZRLMOKVBB-UHFFFAOYSA-N 425.282 4.825 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCC(C)(F)F 1300606460 LLSGHICCHAMPIG-UHFFFAOYSA-N 431.712 4.866 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1300806851 BQGAOCDCAYIBQO-WIOPSUGQSA-N 433.625 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)C/C(C)=C/c1ccccc1 1300884934 NAOVTINNKLLZDG-QIIIAQOASA-N 436.600 4.693 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)CN2CCCC2)CC1 1301092153 RSYDYEWVMBXGER-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1301149547 AGVGYQLGPWJPKF-SFHVURJKSA-N 437.617 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCCCC1 1301150140 NJWNZOUCYCSBCP-UHFFFAOYSA-N 444.649 4.609 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1301196849 KSALCPJQUJUXBQ-SJORKVTESA-N 430.984 4.661 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H]1CCCCO1 1301207713 FQTWKWLEVIHSCM-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1301412593 FDYPMTNTGZNGJZ-UHFFFAOYSA-N 445.571 4.528 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCCN3Cc3cccc(F)c3)s2)cc1 1306262934 BCTRKZLLGCUIQN-QFIPXVFZSA-N 434.540 4.738 30 10 IJEE C=CCCC(C)(C)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1309746156 GNTFRDOBYJQDJK-UHFFFAOYSA-N 430.286 4.618 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCSC[C@H]2c2ccccc2)cc(OC)c1OC 1311747653 JNVBYFYNSNEJEX-NRFANRHFSA-N 426.582 4.822 30 10 IJEE COCCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCC1(C)C 1316101252 FVMYRNCGRNVIDQ-IBGZPJMESA-N 429.996 4.715 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCCC[C@@H]1C 1358873501 JZNYJZIOCKNFKY-GOTSBHOMSA-N 433.644 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CCC(OC)CC1 1358876307 HKUJYQCYYDUXBG-MUYFXNHWSA-N 432.515 4.600 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1358916726 UZVOFDIMBMHQAZ-NRFANRHFSA-N 445.592 4.805 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1358996593 KJHGPJNJEMQPPL-AHKZPQOWSA-N 444.623 4.950 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@H]1CCCCO1 1358997254 LLUUWOVIAKESJL-QHCPKHFHSA-N 448.611 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)CN1CCCCC1 1359001666 ZRGCVRXDOCWZLU-WOJBJXKFSA-N 444.023 4.653 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@@H](C)C1 1359084310 DFVOCCNQDMCNKP-CYBMUJFWSA-N 425.321 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1359106692 NPZSGCHQAZGPCD-JOCHJYFZSA-N 425.621 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(c2ccccc2F)C1 1359112370 HWMIVSUYSNBZPK-DENIHFKCSA-N 427.568 4.588 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1359188355 MAJXPZJUOJGNMP-QFIPXVFZSA-N 437.632 4.718 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1359198309 NKGOJJVVVOQTPW-LEWJYISDSA-N 440.588 4.781 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1359231938 JINGDGJJIXJKTG-OALUTQOASA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(C)C)nc1 1359257442 KSGAETVTVUZBTN-UHFFFAOYSA-N 428.540 4.548 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC(C)(C)CN1CCCC1 1359258021 DECUOKFFPNXYON-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359284163 VPMVXSDWBHGHGK-WMLDXEAASA-N 442.188 4.914 30 10 IJEE Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CCN(c3ccccc3C#N)CC2)cs1 1360173662 HSPBUKIHFKXHJM-UHFFFAOYSA-N 448.567 4.756 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(=O)n(C)cc1Br)c1ccc(C(F)(F)F)cc1 1435635504 RMYPFZSILKYJME-MRXNPFEDSA-N 443.263 4.604 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc(-n2nc(C)cc2C)cc1 1436641334 JYGUBKSULHKYFT-UHFFFAOYSA-N 440.341 4.998 30 10 IJEE N#Cc1ccc(CCNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 1437614667 DYHISCAYAONAKC-UHFFFAOYSA-N 448.320 4.546 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCC)cc1OC 1447576909 SDWCRFYINIXJSC-ZQGDAAQZSA-N 444.572 4.521 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cccc(Sc2cccc(Br)c2)n1 1448882676 KXQBJVGZXLUYRX-UHFFFAOYSA-N 434.403 4.575 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)cc1 1455107127 DRRMAMNYBCYBHY-UHFFFAOYSA-N 438.524 4.562 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(Br)cc1Br 1456447586 LQOOSQLNASTCMW-UHFFFAOYSA-N 425.120 4.706 30 10 IJEE CCN(C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccc(C#N)c(Cl)c1 1458032979 DTXMLIAOBQYKIW-INIZCTEOSA-N 449.860 4.632 30 10 IJEE O=C(Nc1nc(CC(F)(F)F)cs1)c1cnn(-c2cccc(F)c2)c1C(F)(F)F 1460436820 WRHHLDALQCMTBJ-UHFFFAOYSA-N 438.328 4.844 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)CN(C(=O)OC(C)(C)C)C1 1464935939 WFFNVHGCGWUKRW-INIZCTEOSA-N 427.570 4.801 30 10 IJEE CC(C)(C)OC(=O)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccccc1 1465220431 AXJXKBYMZUJSBM-QFIPXVFZSA-N 444.491 4.950 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F 1466816246 CATIODDUNIOINZ-IUODEOHRSA-N 437.256 4.635 30 10 IJEE CSc1cc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1Cl 1466843490 ACCKQJHNADSCHL-UHFFFAOYSA-N 443.916 4.536 30 10 IJEE Cc1cccc(Oc2ccc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)nc2)c1 1467699183 FRKRTZKLQKZHQC-DEOSSOPVSA-N 446.938 4.858 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCCC(=O)N[C@H](C)c2ccc(OCC)cc2)CCCC1(C)C 1469281044 HHYRPWSDBBKBEI-KNQAVFIVSA-N 429.605 4.819 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1 1471590453 FFEWCZADJIKNPE-UHFFFAOYSA-N 425.529 4.940 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1507557628 ROXRCLLOUUCXIR-CTNGQTDRSA-N 440.563 4.614 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@H](SCC)C1 1507561850 DWQIOJZNPGMDNY-FQEVSTJZSA-N 442.629 4.878 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1507583994 ZMRZHCIQQPIICK-VWNXMTODSA-N 442.611 4.551 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOCC)CCCC1 1507685939 YEGAKFRSWOKSGF-UHFFFAOYSA-N 431.584 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCc1scnc1C 1507762814 YNCNTPFTHHXCAP-JOCHJYFZSA-N 441.988 4.607 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1ccccc1C 1507787539 FHTJXWXLUHFRLU-UHFFFAOYSA-N 446.418 4.877 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1N(C)CCCC1(C)C 1507816068 KATRNMPPCQHHOR-HSZRJFAPSA-N 434.632 4.960 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCSCC 1507819839 VJTLATBGNLPQRF-UHFFFAOYSA-N 426.428 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1Cc1cn2ccc(C)cc2n1 1507822201 QOVKAIFARJGQLO-UHFFFAOYSA-N 430.556 4.572 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1507827077 RLPPWLYGLFWMRO-LJQANCHMSA-N 441.645 4.737 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCO[C@H]2CCOC2)CC1 1507898327 XAZHDGHEALBNCT-QHCPKHFHSA-N 438.616 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507918244 DKNIDEWCEKNFDD-FGZHOGPDSA-N 439.648 4.995 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(Cc1ccnn1C)C1CC1 1507941432 GOIVZQUASFCPDX-UHFFFAOYSA-N 447.406 4.638 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@H](C)C1 1507957603 IQIKYQFNAJKUTN-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)c2ncc(C)s2)C1 1508119935 XYVPYRSLRNPVLY-HNAYVOBHSA-N 444.004 4.948 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(Cl)s2)C1 1508125793 IYYJKSUTUPQCCB-INIZCTEOSA-N 435.018 4.669 30 10 IJEE C=CCN(C(=O)c1csc(Cc2ccc(C)cc2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1516156059 NNHGHPRIGSNVGI-HSZRJFAPSA-N 448.588 4.845 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cnc1OCC1CC1)c1ccc(Cl)cc1F 1525069544 DXQMILLBBGZLFW-QGZVFWFLSA-N 437.696 4.530 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1 1525761039 JZXLDIZEUAAHIX-GOSISDBHSA-N 435.442 4.676 30 10 IJEE Cc1c(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cnn1-c1ccc(Cl)cc1 1525823196 HABQDIICMFPQTP-UHFFFAOYSA-N 427.895 4.948 30 10 IJEE Cc1c(C(=O)Nc2cc(Br)ccc2-n2cncn2)sc2ccc(C#N)cc12 1527036132 BADPKGQCKKLFOT-UHFFFAOYSA-N 438.310 4.677 30 10 IJEE CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2=O)cc1 1535625928 FPAHIAJZGSURBZ-LJQANCHMSA-N 441.487 4.741 30 10 IJEE C=CCN(C(=O)c1cc2cccc(C)c2nc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1537317638 YJKHRJQJOAMDFL-NRFANRHFSA-N 436.939 4.999 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnn(C(C)(C)C)c2Br)cc1 1537824608 ARWCZSVNTJZOLK-UHFFFAOYSA-N 434.334 4.662 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1CC(OCC)C1 1538975072 XHWVJVGMWUXAID-DQOAATFDSA-N 430.980 4.735 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2cccc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1539086502 HEOQOUXVSOIEHS-WIOPSUGQSA-N 440.563 4.603 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cccc(C(F)(F)F)n1 1539147272 FKFMJEAQSQJAIH-CQSZACIVSA-N 449.864 4.603 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1539382972 VUHULEUEOHOTDU-DYESRHJHSA-N 433.021 4.744 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OCC(C)C)C1 1539693757 YMYDMCKJFQGQFZ-MRXNPFEDSA-N 437.357 4.674 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCN2CCCCC2)CC1 1539842541 VBWYNLTZGNVDPX-UHFFFAOYSA-N 444.421 4.740 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2cc(OC)ccc2OC)CC1 1539884490 LMVVQOXTZMPZBS-UHFFFAOYSA-N 447.583 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539921311 VKLAEQWLNZLIDB-SFHVURJKSA-N 433.641 4.915 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCCC1 1540118795 BFBYVWRGPYHDQG-HXUWFJFHSA-N 425.621 4.509 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCN(C(C)(C)C)CC1 1540855753 RXALFFGFIGDFJT-UHFFFAOYSA-N 435.572 4.614 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 1543416345 KABYWSVTHCOJKT-UHFFFAOYSA-N 439.625 4.784 30 10 IJEE C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1OC 1544117921 GCRMNSMXJRDHDL-JOCHJYFZSA-N 448.588 4.851 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN(CC)C(=O)OC(C)(C)C 1545621258 DNAMJZUSAYHWHL-SFHVURJKSA-N 440.592 4.556 30 10 IJEE CN(CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)C1CCCC1 1554293171 DWHUCHVFUXJXTR-UHFFFAOYSA-N 441.023 4.527 30 10 IJEE CO[C@](C)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1554578647 ATAKIOCKVFUKFQ-FCHUYYIVSA-N 431.943 4.683 30 10 IJEE C#CCN(Cc1ccc(-c2cnn(C)c2)cc1)[C@H]1CCOc2ccc(Br)cc21 1560702548 VXJYZYHNJDOJJO-QFIPXVFZSA-N 436.353 4.809 30 10 IJEE Cc1nc(C)n(Cc2cccc(NC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)c2)n1 1562279968 FZBYISHCWKUXFM-UHFFFAOYSA-N 439.479 4.646 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C)C(C)C 1563453448 HYMUODGRZWVBHW-LAUBAEHRSA-N 434.422 4.604 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1564182063 LYTASOHBJKYXKM-IFMALSPDSA-N 447.000 4.973 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1566763978 HFMACRVONDRMDX-INIZCTEOSA-N 443.935 4.516 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 1568336713 AFIVKDCSYZRDMO-RCCFBDPRSA-N 437.378 4.671 30 10 IJEE C=CCc1cc(C(=O)N2CCCSC[C@H]2c2ccccc2OC)cc(OC)c1OC 1583915275 AGNHFQNTXCXPGR-FQEVSTJZSA-N 427.566 4.761 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CC(=O)N(CCCC)[C@H]3c3ccc(OC)cc3)cc21 1585547414 YUWWFQXMUTZWTR-RDGATRHJSA-N 446.551 4.559 30 10 IJEE C=C(Cl)C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OCC 1588122064 MANZACWBKBKMLX-HNNXBMFYSA-N 447.771 4.850 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1589078381 NCYGBGGHVROJQF-UHFFFAOYSA-N 428.499 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C)nc1 1589150726 JQYJPVMJSAPUNC-MHECFPHRSA-N 435.959 4.815 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC=CO1 1589251293 LBMUQBUGQZPSDN-XMSQKQJNSA-N 428.989 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCSC(C)C 1589252068 YCINYIWKAXITAB-JOCHJYFZSA-N 430.643 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC(F)(F)CO1 1589615221 NHSNPZGIMGIDJN-LBPRGKRZSA-N 447.349 4.596 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1594544946 OTOQKSNBCVMXJL-UIFIKXQLSA-N 437.975 4.561 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(F)cc1F 1594559695 QJVAZDDWOQAIOB-UHFFFAOYSA-N 443.498 4.515 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1594573241 PSKPBUDLINZTBZ-MPCCHNLFSA-N 438.616 4.949 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1594581899 FWROYXMLJGQOGM-QGZVFWFLSA-N 448.970 4.868 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1594651334 IQHNSPHIYDMQQI-QFIPXVFZSA-N 448.615 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@H](SC)C(C)(C)C 1595120144 OARXSPHQUIKPNK-IBGZPJMESA-N 447.624 4.526 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1nccs1 1595649019 KZDUEGJRIARMAJ-UHFFFAOYSA-N 435.553 4.595 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCC 1595879454 WJSDBUBFHACSDX-GOSISDBHSA-N 437.654 4.548 30 10 IJEE C#C[C@H](NC(=O)c1c(Br)ccc(OCC)c1F)c1ccc(Cl)cc1F 1597002587 KMHQHWNZMZRQQI-AWEZNQCLSA-N 428.660 4.884 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 1611603952 DQUIAFWULGNJDH-CALCHBBNSA-N 434.920 4.603 30 10 IJEE CC[C@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(SC)c1 1614118958 FTSTXTYMGSWAFA-PXNSSMCTSA-N 448.596 4.519 30 10 IJEE N#CCCN(C1CCCCC1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1614950715 UBVBTCOIPAZFGW-UHFFFAOYSA-N 428.398 4.961 30 10 IJEE C=CCC1(C(=O)N2C[C@@H]3CC[C@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 1616448607 DTZWYVSIGRKFMQ-SZPZYZBQSA-N 445.648 4.588 30 10 IJEE Cc1nc(SCC(=O)Nc2cc(F)ccc2N2CCC(C)CC2)c(C#N)c(C)c1C 1618130954 FOJMSSFVAYMAMC-UHFFFAOYSA-N 426.561 4.985 30 10 IJEE C#CCN(CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)[C@H]1CCCc2ccccc21 1620613320 CKSQZDVJYBOXCM-DEOSSOPVSA-N 429.589 4.994 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)s1 1626840485 YLMDIPXTIMARSD-INIZCTEOSA-N 426.508 4.573 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1)C(C)C 1627127522 IUTHIIDFTILVLS-MRXNPFEDSA-N 449.311 4.776 30 10 IJEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1627617739 GXDFBXKEVOZJSR-SFHVURJKSA-N 441.553 4.578 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4cc(Br)cc(F)c4C3)cc2n1 1627664509 RPVCPQXLQLYQJR-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(n2c(CC)nc3ccccc32)CC1)C(C)C 1628516837 BBZXFSBXSBVDRO-DEOSSOPVSA-N 437.632 4.644 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 1630119899 VAQAXDGFYVCDOJ-GASCZTMLSA-N 429.314 4.642 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 1630121793 BXIFIKAOTAIUCR-UHFFFAOYSA-N 427.382 4.708 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 1630714009 XKVMANXJPXHIQS-GOSISDBHSA-N 425.356 4.791 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN(CC(F)F)C3)cc2Cl)c1 1632309517 HAWICUANGWEFRQ-QGZVFWFLSA-N 433.886 4.706 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)c1ccccc1 1636820409 GMMNKENFEFHALF-LJQANCHMSA-N 442.562 4.692 30 10 IJEE C=CC[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(=O)OCC 1638326518 SHNCTYSGORUROI-GOSISDBHSA-N 426.563 4.826 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1(C)C 1638563076 DLJNWCQUUANDMT-RTWAWAEBSA-N 435.524 4.772 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F 1643051561 FXYPCYUGXVBOQG-AEFFLSMTSA-N 428.907 4.534 30 10 IJEE CC[C@H](c1ccccc1)N1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 1644703792 BTJFCUBOIBBRIC-XMMPIXPASA-N 439.003 4.664 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(-c4nnsc4Cl)c3)n[nH]2)c1C 1647870979 MIWWOIQCOMEVDJ-UHFFFAOYSA-N 439.932 4.500 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)C)C1 1649663211 FXRKSDZVEPUSSL-NJYVYQBISA-N 427.618 4.598 30 10 IJEE C=CCn1c(SCc2ccccc2C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 1651548982 YPGVOXZPSQHMLX-UHFFFAOYSA-N 440.590 4.992 30 10 IJEE COCCN(Cc1cc(Br)cs1)c1nccc(Oc2cccc(C#N)c2)n1 1651824036 AWORQEVAVYHEKQ-UHFFFAOYSA-N 445.342 4.618 30 10 IJEE Cc1c(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)sc2ccc(C#N)cc12 1653395204 DEOJINONOOTMPM-UHFFFAOYSA-N 431.627 4.549 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 1658659244 RVPYXFKMSQLXJD-QFIPXVFZSA-N 439.943 4.839 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccc(-c2ccncc2)cc1 1662010442 BOLIGHSSCGUZLV-AWEZNQCLSA-N 431.439 4.679 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC 1662574117 WDNUFZKPCBVLCV-VHSSKADRSA-N 425.367 4.975 30 10 IJEE C#C[C@H]1CCCCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 1664710404 KEKAJXGSXSNSJQ-HNNXBMFYSA-N 438.318 4.557 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(c3cccc(Br)c3)CC2)c1 1666768029 BMGSAQBFAKHEJD-UHFFFAOYSA-N 430.346 4.758 30 10 IJEE Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 1668217435 CFXAWQDBPCYLPO-AUSIDOKSSA-N 449.942 4.995 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCCC1 1670287537 FFSZASHQOSKMBQ-SFHVURJKSA-N 431.581 4.710 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc2c(c1)CN(C(C)=O)C2 1672708788 SEGCBIOUUKKPKU-UHFFFAOYSA-N 430.302 4.520 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 1673285942 SQEKHSFXPGAVPK-IBGZPJMESA-N 444.457 4.828 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1683106151 AJEOZJKIXZAUCO-IRLDBZIGSA-N 434.515 4.952 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 1683106919 PGEMYHDTTYTHNX-RTBURBONSA-N 445.485 4.556 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1689888778 QKMLCDDMAAWFIX-XZOQPEGZSA-N 440.563 4.648 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCC1CCC(OC)CC1 1690091445 UFTXMYYNQILCOG-UHFFFAOYSA-N 426.580 4.851 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690301131 PUIIRHXZNWTSEC-DNQXCXABSA-N 448.615 4.759 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690334298 JWHHYDQFNJZREG-MRXNPFEDSA-N 439.785 4.630 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2c(C)noc2C)CC1 1690396504 DVTLAATWSOLBCV-KRWDZBQOSA-N 425.508 4.613 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1690419090 HITVZGHMNLAPTK-CTNGQTDRSA-N 444.583 4.910 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1690452204 ZIFAGDPCSZJKKG-WOJBJXKFSA-N 427.568 4.588 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCc2cccnc21 1690515763 SVZCWBTVFFPSLB-TZIWHRDSSA-N 447.583 4.954 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1cscc1C 1690563581 WQJAZCDKYBUNJK-DEOSSOPVSA-N 438.597 4.541 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1690590244 RRUGITDRIFOKPU-OYRHEFFESA-N 437.632 4.889 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cccs2)CC1 1690736342 AVEJSBIARKFTBZ-UHFFFAOYSA-N 439.654 4.815 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)CCC(C)C 1705541320 GANHROJNPKEPNR-CYFREDJKSA-N 447.023 4.945 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCC1(C)C 1705612501 HWMODVIDXYJZBM-FQEVSTJZSA-N 443.636 4.678 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1705654432 IDELMABLVLTASP-KRWDZBQOSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](OC)C(C)(C)C 1705668684 RHEPLIJVMNUFMD-GERBCZOESA-N 428.552 4.610 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C1 1705690734 FXEUYJKLXARDLT-LBPRGKRZSA-N 427.799 4.979 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1705696744 QBHQRPRGEYYBPC-DWXLDPMZSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1cccc(C)c1 1705705284 GAHXGOAPLTTZCY-DHLKQENFSA-N 438.616 4.816 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1705770655 PGYUFWVNKCSBNW-IBGZPJMESA-N 449.624 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)F)CC1 1705789066 XLASIDBEKFLAAA-UHFFFAOYSA-N 429.515 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)[C@H](C)C1CCC1 1705789237 DARFDWOGGDAXMA-GOSISDBHSA-N 448.615 4.809 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705821292 QSLLRGYXWZTELY-DNVCBOLYSA-N 429.615 4.628 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)OC 1705863660 AQSMOVXYZZZKIG-OAHLLOKOSA-N 447.402 4.997 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCO[C@H]2C(C)C)C1 1705915724 LMYFSNRBRXPDEW-KEZOAJOQSA-N 438.616 4.662 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cn2ccccc2n1 1722403960 KNVKPRHYWIBGMJ-UHFFFAOYSA-N 439.350 4.602 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1722462544 WAINFGRRQHJGFG-NQIIRXRSSA-N 426.630 4.829 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccccc1F 1722488277 FDTIQTGLYWPGCH-HNNXBMFYSA-N 430.325 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC 1722498847 FLUHDWVRJSSTNO-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1722536706 QNJKNVLLYCFABN-GOSISDBHSA-N 442.947 4.690 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1722613115 TUDQNZBMRXJBEM-QGZVFWFLSA-N 433.940 4.738 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722634427 OIXOJMDKWKIHIK-IBGZPJMESA-N 439.604 4.531 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCCC[C@@H](SCC)C2)cc1 1722706172 POVYTEGGVSHYNN-OAQYLSRUSA-N 437.613 4.998 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(OC)CCCC2)C1 1722717174 FOFYPFYIDFMGNM-QFIPXVFZSA-N 438.616 4.983 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](C)C2)c1C 1724062485 CCYYYQVUAWDEAZ-CDNOPDGFSA-N 425.552 4.913 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1)C1CCCC1 1728736474 CRYNDLYVRNSGBT-PGRDOPGGSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N2CCCC2)nc1 1740540109 HFWGOTJFTQVSTC-FQEVSTJZSA-N 442.611 4.744 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1740590659 HPBYUQOTECPJCQ-QFIPXVFZSA-N 429.008 4.884 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC1(C)C 1740650324 WKQGYJISHAGZRG-OAHLLOKOSA-N 445.792 4.870 30 10 IJEE C#CCSCCn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1740722783 JZEIZLVKRZDIQB-KDURUIRLSA-N 444.595 4.842 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC1CCCCC1 1740739885 DKNDPACAENFLCY-UHFFFAOYSA-N 449.393 4.887 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(OC(C)C)c1 1740743598 ADNYMWVSJLCVPZ-LJQANCHMSA-N 449.393 4.852 30 10 IJEE C=C(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCC)CCC)c1ccccc1 1740798238 CUIKIRZKYCMORZ-UHFFFAOYSA-N 445.615 4.792 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC)C1 1740844802 VIRWFINEPMGNJT-GOSISDBHSA-N 430.618 4.577 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@H](C(=O)NCCC)C2)nnc1C(C)(C)C)c1ccccc1 1740854794 JCWMJGMDWAZFPT-VXKWHMMOSA-N 437.632 4.678 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)c1ccco1 1740901882 NZRFKFMWTBZWDW-QHCPKHFHSA-N 438.528 4.936 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1Cc1cc(Br)cs1)C1CC1 1740908928 QUTLOEHPQNEDKJ-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)N(C)C 1740934548 JGLCQGUJERFFEO-HXUWFJFHSA-N 444.583 4.580 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCc1cccs1 1740936491 WOMUKHIVAYTGAU-UHFFFAOYSA-N 429.549 4.949 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 1740996304 LDOWSQPCZMAMQV-QGZVFWFLSA-N 440.617 4.608 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@](C)(CC)C1 1741001278 PZBWIHPAXSQXIL-QHCPKHFHSA-N 439.585 4.525 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1748907458 KQRDWBHHDWXFSE-DNQXCXABSA-N 447.671 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCCN1C[C@H](C)C[C@@H](C)C1 1749061448 VSVRANZKPKTERU-UMEGOILYSA-N 440.035 4.959 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749203667 HYNKHSSQUMTZAB-GDBMZVCRSA-N 425.360 4.744 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1F 1749416195 WAAVFEITJDYGQW-UHFFFAOYSA-N 432.341 4.788 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1749474036 JEZLGIGZOQCMDN-UHFFFAOYSA-N 448.914 4.509 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCOC1 1749544412 HFFTVFQYPYMRNZ-SYYKKAFVSA-N 442.579 4.565 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1749587021 FMVQZOVWTOQYHX-VTYHHJSWSA-N 445.567 4.848 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCCCCC1 1749690096 QWANQCCGHHCKJS-UHFFFAOYSA-N 434.588 4.523 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@@H](C)C1CCC1 1749746092 REIGYNXOGCVSHO-AWEZNQCLSA-N 438.439 4.970 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]2CCC[C@@H]21 1749764084 QZFDOCXRAZUWOF-OALUTQOASA-N 428.602 4.554 30 10 IJEE CCC(C)(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C#N)C1 1752492311 GNQMEWTWQSSNIG-CQSZACIVSA-N 429.977 4.978 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1760097692 ITJGWXHWSNNSOU-HQHQBECKSA-N 442.579 4.999 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)CN1CCCC1 1760098879 ASSBCVPJNVKBFY-NHCUHLMSSA-N 444.627 4.542 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](OCCC)CC1 1760141318 QDDUKEVWZFOYBG-QHCPKHFHSA-N 433.600 4.870 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1760382826 ZBYLFHHJKUEEMY-SFTDATJTSA-N 441.595 4.834 30 10 IJEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1760461978 MWGGRBDYFXKPKC-YOEHRIQHSA-N 446.477 4.585 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCC1(F)F 1760501038 FQJJFHOUNHQQNL-HXUWFJFHSA-N 441.526 4.918 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCc2sccc2C1 1760561828 NLBALCOXVGOBIR-UHFFFAOYSA-N 432.018 4.927 30 10 IJEE CCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=Nc1nc(-c2ccccc2)cs1 1772738271 PJFXKAKZGMMVPK-QLQOOBLBSA-N 432.530 4.756 30 10 IJEE CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccc(C(=O)O)c1 1772739625 VBFABFCLPUJUAN-PTOVGEMASA-N 449.444 4.787 30 10 IJEE COc1ccc(Cl)c(CC(=O)Nc2ccc(CC(=O)Nc3ccccc3C#N)cc2)c1 1859126042 NBQVNKSAFZKOQC-UHFFFAOYSA-N 433.895 4.583 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C2(Oc3ccc(OC)cc3)CCCCC2)nc1C 1859737198 RPKLBIWQQJLTMR-UHFFFAOYSA-N 430.526 4.523 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc(Cl)c1O 1862497551 NBDRQXTXIGMWAJ-HXUWFJFHSA-N 443.927 4.905 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(Cl)cccc1Cl 1862499158 ZPFQFXILQFTIFR-IBGZPJMESA-N 434.319 4.835 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2F)ccc1F 1862502625 GBMCBGNDFJCPCO-OAQYLSRUSA-N 447.453 4.806 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)cc1OCC 1862510738 DJESNDPLHHRUEP-JOCHJYFZSA-N 441.499 4.918 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2Cl)cc1OC 1862569276 JITFRSYUDOMPJC-NRFANRHFSA-N 441.911 4.878 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)cc1F 1862639506 ZZZFMCNRKTWADX-NRFANRHFSA-N 427.447 4.884 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)cc1 1862661740 GQAUFKPYFGPWCV-HSZRJFAPSA-N 428.488 4.689 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862680538 DWTODJSEZBHUOE-GOSISDBHSA-N 433.863 4.572 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862688154 SLXZIUPVJYBYLJ-HJPURHCSSA-N 429.472 4.740 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(F)c2)cc1 1862688161 SNJCCTHZGYFGOH-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1C(=O)O 1862726518 IKBWESYIYUWMFW-HSZRJFAPSA-N 439.467 4.816 30 10 IJEE COc1cc(Cl)c(C)cc1NC1=C(c2cccs2)C(=O)N(c2ccccc2C#N)C1=O 1863119676 ADBXCKBDRORCRW-UHFFFAOYSA-N 449.919 4.987 30 10 IJEE CN(C)c1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863129270 FTXZQVCNTNYTRT-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863270361 LAMAPLSNUIOXTM-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863354384 DUFBQTGINWNBCH-UHFFFAOYSA-N 434.536 4.887 30 10 IJEE CCCCCOc1ccc(/C=C(/C(=O)N=C2CCN(C)C(=O)N2)c2ccccc2)cc1OC 1865909837 UTFXUWWROZODHP-HEHNFIMWSA-N 449.551 4.775 30 10 IJEE CC[C@@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccccc1C#N 1866883103 DUOGZIUHJNPQCI-HXUWFJFHSA-N 438.487 4.822 30 10 IJEE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867132383 RKHJSHLMNIQIOR-URXFXBBRSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2)n1 1867969934 KKYZFGTYYFFEHD-UHFFFAOYSA-N 429.543 4.788 30 10 IJEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC(Oc2ccc(F)c(F)c2)C1 1869921350 NDIYBZHVQYQIGL-UHFFFAOYSA-N 425.275 4.906 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)COc2ccc(C)cc2C(C)(C)C)c(C)c1 1870109191 MHBZEKOKEFTNEA-UHFFFAOYSA-N 445.567 4.747 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CSc1ccccn1 1870212169 NFVHLLHBIWBXHF-UHFFFAOYSA-N 449.576 4.664 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1c(F)cccc1Cl)O3)CN(CCCN(C)C)CO2 1871346074 CEFLPGUWZRPTGX-JAIQZWGSSA-N 430.907 4.507 30 10 IJEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871369812 ZRSOOKWJJBLERH-HMAPJEAMSA-N 444.443 4.805 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCC 1871805600 CCFWOSGNJZSCNM-GOSISDBHSA-N 434.524 4.677 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872080185 QKLDUWWISBQFBP-QHCPKHFHSA-N 428.598 4.706 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1)S(=O)(=O)C1CC1 1872432533 CTTSGULOOQESSE-OAQYLSRUSA-N 432.973 4.699 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cc(C)ccc1O 1874209945 YNWDMFWFZBPXBG-LPYMAVHISA-N 443.370 4.806 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccs1 1874364914 AZSJAOGZMARBAK-CIAFOILYSA-N 433.990 4.503 30 10 IJEE OCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1c(Cl)cccc1Cl 1874369807 SERNJWGMQVDJJJ-UFFVCSGVSA-N 427.744 4.872 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(C(C)C)cc1 1874478040 QBAHZESUUSBGAK-AFUMVMLFSA-N 439.585 4.628 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2)cc1C 1874489094 ZMCDXDBROJNLQH-DHRITJCHSA-N 439.560 4.846 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nncn2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874535145 SOXVIZOINCLCNW-KIBLKLHPSA-N 433.459 4.527 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2F)cc1 1874575944 ONTQHOADERXSQA-NTCAYCPXSA-N 435.451 4.757 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1 1875112781 ONYQXSTWKXAJGF-BJMVGYQFSA-N 433.460 4.531 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c([N+](=O)[O-])c2)cc1 1875129940 AZFFFGFKCMEUTA-RIYZIHGNSA-N 447.443 4.874 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccco1 1875150394 LNCLRKYEZCGPRF-GQCTYLIASA-N 426.808 4.786 30 10 IJEE COc1ccc2cc(C(=O)NCC#CCN(C(C)C)C(C)C)c3ccc(OC)cc3c2c1 1891578715 CHNPLPRWIVARED-UHFFFAOYSA-N 432.564 4.862 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)C[C@@H]1C 1926491025 OGLWGICOVVCUAF-HJPURHCSSA-N 431.533 4.586 30 10 IJEE C#Cc1cccc([C@]2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 1951716359 ZCSSBDAARNTZLD-NDEPHWFRSA-N 437.495 4.645 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073116026 RFKOMJOHPAAROU-VJBWXMMDSA-N 446.632 4.524 30 10 IJEE CC[C@@H](c1ccc(C)c(F)c1F)n1nc(C2CC2)c(C#N)c1I 2079893586 QTPPFJFVTXXYAN-ZDUSSCGKSA-N 427.236 4.823 30 10 IJEE O=c1cc(-c2ccc(C(F)(F)F)cc2F)[nH]c2c(Br)c(C(F)(F)F)nn12 2081056222 GBFNIYAGAAQUBH-UHFFFAOYSA-N 444.104 4.629 30 10 IJEE CC1(C)OB(c2cnc(SC3CCC(F)(F)CC3)c(Br)c2)OC1(C)C 2116081678 BIEIMHXCSASGBJ-UHFFFAOYSA-N 434.155 4.813 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)n1 2116150245 NSWXTXCMVZSSIJ-FCHUYYIVSA-N 436.405 4.509 30 10 IJEE C=CC1(NC(=O)c2cc(Br)ccc2I)CCCCC1 2121651056 UZBGFQLUQAXZOC-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3ccc(Cl)cc3Br)C2)OC1(C)C 2132681465 FFSJGIRTYKPVEZ-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE N#C[C@]1(c2ncc(I)cc2Br)CCCCC12CCC2 2133370382 AHUWLCMEUUPMLX-HNNXBMFYSA-N 431.115 4.954 30 10 IJEE COC[C@]1(CNc2cc(Br)ccc2C#N)CCCCN1C(=O)OC(C)(C)C 2162418605 UCTOTQPOOZWLMI-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE CN(Cc1ccccc1CNc1cc(Br)cnc1C#N)C(=O)OC(C)(C)C 2167621501 CQMWOPGJAYCKQV-UHFFFAOYSA-N 431.334 4.695 30 10 IJEE Cc1cc(Br)c(C(=O)N2C[C@@H](C)CC[C@H]2C=O)cc1NC(=O)OC(C)(C)C 2181019621 SFPJKXRXMRUABM-JSGCOSHPSA-N 439.350 4.544 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N(CCC#N)CC1CCC1 2181047364 OTISVEKQSGAAON-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE C[C@H]1SC(=NCc2c(Br)cccc2Br)N[C@H]1C(F)(F)F 2195325357 ZLZAOBGVUOQVIQ-LHLIQPBNSA-N 432.103 4.723 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(F)(F)F 2229119657 XVRIAYXITQWKGW-CABCVRRESA-N 437.300 4.591 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234697751 QUGOEWSCRMWUJW-WMPKNSHKSA-N 446.444 4.533 30 10 IJEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@H](N)C#Cc2ccccc2Br)CC1 2235720652 HTPHKSMOXMNXHL-ZWDAVXSWSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2235735197 ZDDIUTZJWKNZPG-YVWKXTFCSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2(COc2cc(Br)cnc2C#N)C1 2239191256 GJQQNJJYAILWTR-XOBRGWDASA-N 436.350 4.522 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](N)C#Cc1ccccc1Cl 2245950373 IIIZPRJBXVFSPU-SFTDATJTSA-N 428.960 4.519 30 10 IJEE CCCN[C@H](C#CC(C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248458052 ISZGSFRROKSITD-JOCHJYFZSA-N 428.617 4.858 30 10 IJEE C=CCCC1([C@@H](O)Cc2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2273837664 DSWREWKPHHUINS-KRWDZBQOSA-N 428.342 4.695 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](N)C2 2285831871 VKHYPSYXNHSCOE-QUUZMZQQSA-N 434.378 4.990 30 10 IJEE C=CC[C@]1(COc2nc(OC)ccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2287840587 ZIVMUZRAHAKJNM-FQEVSTJZSA-N 441.366 4.825 30 10 IJEE C=C(C(F)(F)F)[C@@](C)(OCC(=O)O)c1cc(Br)c(Br)s1 2290834962 RBKQBHZJVWPXAA-SNVBAGLBSA-N 438.059 4.708 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccccc3C#N)c(OCC)c2)SC1=S 2295178728 SILQXMFOVXPMPJ-UHFFFAOYSA-N 436.558 4.923 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@@H](O)C#Cc1cccc(Br)c1 2296225499 VVYHPWPMCPEYSP-UGKGYDQZSA-N 430.342 4.602 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2296311295 VKVFZITZUZNIPF-RTBURBONSA-N 435.406 4.957 30 10 IJEE COc1ccc(C=C2SC(=Nc3ccccc3Cl)NC2=O)c(Br)c1O 2297365321 CNXJHQCUMAEMSJ-UHFFFAOYSA-N 439.718 4.708 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 2305197820 RPROUJPMAIBTOS-BINBFKAUSA-N 428.573 4.696 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@@H]2C[C@H]1CC21OCCO1 2309250791 MKAIGDODZUECID-AVYPCKFXSA-N 449.345 4.626 30 10 IJEE N#CCCCCC[S@](=N)(=O)c1cc(I)ccc1Br 2316466450 YTPIPUKQNSCMOA-SFHVURJKSA-N 441.132 4.543 30 10 IJEE COc1ccc(Cc2nnc(S)n2N=Cc2ccc(OCc3ccccc3C)cc2)cc1 2322016469 QXWAWBXKQQSCHQ-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccncc3)C4)C2=O)cc1 2322312178 NFNYAEPSBPRSRS-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)C(=Cc1ccccn1)O2 2323232100 BIBCVGUEPKWLQO-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)cc1 2323301525 DQGVQNRUAVLRIT-UHFFFAOYSA-N 432.403 4.756 30 10 IJEE CCOc1c(Br)cc(C=Nn2c(S)nnc2C2CCCCC2)cc1OC 2323485316 PQVRYYDWWBIEAK-UHFFFAOYSA-N 439.379 4.667 30 10 IJEE CCOc1cc(C=Nn2c(COc3ccccc3)nnc2SC)ccc1OC(C)C 2323585308 ZYNNEFCTYNUQBT-UHFFFAOYSA-N 426.542 4.647 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)NCc1ccco1 2323959747 VCJDCJPKEYZNOY-UHFFFAOYSA-N 433.504 4.886 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2F)CC1 2324128333 LTXJMRJMWQBYCC-UHFFFAOYSA-N 448.469 4.609 30 10 IJEE Cc1cc(O)c(CN2CCC[C@@H](CO)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324209909 KOHHFYGBLJFBDK-CQSZACIVSA-N 448.346 4.828 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)o1 2325394803 LLHWHKDMLJGOMV-UHFFFAOYSA-N 433.460 4.718 30 10 IJEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)c(O)c2)cc1 2325435316 AJLHQCINHADJDC-UHFFFAOYSA-N 444.560 4.957 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)s1 2325442006 UURPRPANDNSNNN-HNNXBMFYSA-N 449.532 4.740 30 10 IJEE COc1cccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(C)cc3)ccc2OC)c1 2325737925 LXZQYTAYAVVAEQ-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccccc1[N+](=O)[O-] 2325901319 SEPICAXTWLDKOF-UHFFFAOYSA-N 439.541 4.975 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccccc1O 2326252259 IFRDHOMLYZHUJA-UHFFFAOYSA-N 438.553 4.554 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(Cc2cccc3ccccc23)nnc1SC 2327702744 WFMWXVRREWRVEB-UHFFFAOYSA-N 448.548 4.652 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)c1 2328647893 RJFGNEKEYAZSFE-UHFFFAOYSA-N 443.576 4.684 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc([N+](=O)[O-])cc1 2328687677 STGDDVUYZWJQPS-UHFFFAOYSA-N 437.525 4.531 30 10 IJEE C(=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1)c1ccncc1 2328745074 FDEOZOJGAPNRJZ-UHFFFAOYSA-N 429.549 4.859 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccc(O)cc1O 2330334267 OUQUEVLOEBKODR-UHFFFAOYSA-N 436.562 4.825 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(O)cc1 2331352295 CRZBONPYXSNSGU-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE Cc1cccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2331440493 ZTTDWUMTVGAHGJ-UHFFFAOYSA-N 425.514 4.573 30 10 IJEE O=C(COCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 2331530120 BBJZAPNQJIHKTP-UHFFFAOYSA-N 435.407 4.752 30 10 IJEE COCCC(=O)Oc1c(OC)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2331645535 KMBWWGPCGFOFQA-UHFFFAOYSA-N 426.509 4.775 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339595965 FXDGHZZFPZXPDX-MOPGFXCFSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CC2CC1(CNc1ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn1)C2 2339597653 YTKCZSLHXDRIHH-ZHACJKMWSA-N 441.381 4.538 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(Br)cc1F)NCCC)C(=O)OC(C)(C)C 2363122907 ACMSIOVSCQTDEH-SFHVURJKSA-N 441.385 4.759 30 10 IJEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12493126 DLOJZLRLZRIRKK-OEAKJJBVSA-N 443.912 4.820 30 10 IJEE CC(=O)O[C@@H]1CC[C@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(C)=CC(=O)[C@@H]2C1(C)C 13485705 TXEAVXYHQMQTHQ-JKWAAVNQSA-N 438.520 4.691 30 10 IJEE biogenic CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)c(OC)c2)C3)c1 21226086 SWHCOOZXLMOEAG-CTNGQTDRSA-N 449.547 4.885 30 10 IJEE C=CCc1ccc(OCCCn2c([C@H]3CCCN3C(C)=O)nc3ccccc32)c(OC)c1 21524503 OXUOTHDOBHMORZ-HSZRJFAPSA-N 433.552 4.926 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2C)Nc2cc(C)ccc2C)c1C 32973240 CVOOGSXKCDHCOX-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 39848404 DVCNHHACMSQTKL-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 41502108 CFULQOURVZRXSF-UUYOSTAYSA-N 445.427 4.885 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 62897879 TZCMDYLFTCUPIQ-UHFFFAOYSA-N 429.476 4.984 30 10 IJEE COc1ccc2c(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)c(C#N)cnc2c1 65034337 VTRXZTHSMAEMLL-UHFFFAOYSA-N 432.549 4.692 30 10 IJEE O=C1/C(=C\c2ccccc2F)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 103022554 FVPCVRCEDBEGCZ-RGVLZGJSSA-N 430.840 4.863 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccncc1)c1cccc2ccccc12 170026678 BKTOOKIEPZIURD-HSZRJFAPSA-N 446.466 4.894 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170031928 FDGRANIQNYCEMF-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 170054173 KWCAINBHPBTNIQ-XMMPIXPASA-N 443.499 4.525 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccs2)c1 170138985 ZPCSBVAMTSKIAL-JOCHJYFZSA-N 447.512 4.606 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(C(C)(C)C)cc1 170150087 JRMGAYPXZQWJAL-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE NC1=C(c2nc3cc(N4CCCCC4)ccc3[nH]2)C(=O)CN1c1cccc(Cl)c1Cl 170178709 FMBBXYKRJGFEHF-UHFFFAOYSA-N 442.350 4.577 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170184447 BCLMQLNZZSCNKI-OAQYLSRUSA-N 432.382 4.889 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCN(C)C)cc1 170267435 XHSYTLTZPALHHA-DEOSSOPVSA-N 428.532 4.542 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)ccc1Cl 170292856 ZRGCJJOCIIDYCB-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)c1ccc(OC)c(OC)c1)C2=O 210089578 MTNFSVBNNHXPFP-ZMOGYAJESA-N 446.455 4.938 30 10 IJEE CC[C@H](C)NC(=O)CSc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1 253571631 PFKPGOUTBBRQGN-MMTYYTLLSA-N 432.553 4.564 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)SC1=Nc1ccc(Cl)cc1 254402883 LXPDZJVQBZEZRJ-GFCCVEGCSA-N 428.945 4.513 30 10 IJEE CCCNC(=O)c1c(N=Cc2ccc(COc3c(Cl)cccc3Cl)o2)cnn1C 254881166 GJBZAQXXSLQFEL-UHFFFAOYSA-N 435.311 4.789 30 10 IJEE CC1(C)OB(CCC[C@H](N)c2cc(Br)cc(Br)c2N)OC1(C)C 383817294 CLLGAJIDNNRSIK-ZDUSSCGKSA-N 448.008 4.666 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCCC 406715314 SSNGCWRJRYCOMT-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 436456647 KZNUVKKSHSZSDK-XUEUYAKLSA-N 429.545 4.845 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 460544380 OYCONGVPJLMCSX-MRXNPFEDSA-N 444.988 4.776 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(C3CC3)[C@@H](C)c3cccc(C(F)(F)F)c3)cc2C1=O 502857506 GFKBHVWKDDDNMJ-AWEZNQCLSA-N 442.437 4.853 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 515666753 NBMQCVUMYDVZBZ-GOSISDBHSA-N 433.474 4.540 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)cc2)c1 526489359 HLDMZAKIPNDUFZ-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE N#Cc1cccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1 530680821 AJFXEDCLOHIQHC-UHFFFAOYSA-N 429.907 4.872 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2cccc(C)c2)CC1 549301806 FHHRGYUUPMFWOG-DQEYMECFSA-N 443.595 4.734 30 10 IJEE Cc1ccccc1[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CCO1 556979570 JBJIPQKRLJFHFC-VWLOTQADSA-N 435.531 4.751 30 10 IJEE CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 559090521 DQOAOVFMDYWRFW-UHFFFAOYSA-N 437.494 4.799 30 10 IJEE CC1(C(=O)NCc2cc(-c3ccccc3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 573810970 DOXPRYOADDHIHS-UHFFFAOYSA-N 434.927 4.790 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)Cc3c(Cl)cccc3Cl)c2C#N)C1 586301997 WLOLXKZBNDKBQT-RNUGCUGFSA-N 441.405 4.939 30 10 IJEE COc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)n1 669991343 MXXMRULYILKTEO-OCAPTIKFSA-N 439.278 4.704 30 10 IJEE CCCn1c(SCC(=O)OCc2cc(Cl)ccc2OCC#N)nc2ccccc21 735329189 IEMQPKKMGLXBKK-UHFFFAOYSA-N 429.929 4.838 30 10 IJEE COC(=O)[C@H](OC(=O)c1csc(-c2cccc3ccccc23)n1)c1cccc(C#N)c1 778190140 YAXAUSOJBMXBEZ-OAQYLSRUSA-N 428.469 4.906 30 10 IJEE N#Cc1cc(NC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)ccc1OC(F)(F)F 799772020 VQTJRNFEAIYKKY-UHFFFAOYSA-N 433.317 4.694 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 804924675 UCTGXGCESVIFNL-HYBUGGRVSA-N 443.547 4.664 30 10 IJEE Cc1cc(N=Cc2cc(Br)c(N3CCOCC3)o2)ccc1Br 1084163620 YREZRDIHYQIFJL-UHFFFAOYSA-N 428.124 4.700 30 10 IJEE CCOc1cc(Br)c(CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OCC 1124359260 BVQYEFWSEGJZJY-UHFFFAOYSA-N 437.721 4.953 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)cc1OC 1131723677 BEIDJQQDIUBZQH-XBMZPMPPSA-N 442.943 4.790 30 10 IJEE C#C[C@@H](CC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1161267112 RTZGKIXRYFBXGP-KRWDZBQOSA-N 432.973 4.625 30 10 IJEE CN(C[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1)C(=O)OC(C)(C)C 1162237827 AZSWOVPGEIQRJD-CYBMUJFWSA-N 426.330 4.543 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2CCc2ccccc2)n(Cc2ccco2)c1C 1167070288 FTLFLIVSHVJUIK-JOCHJYFZSA-N 430.552 4.654 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)OC1CN(C(=O)OC(C)(C)C)C1 1186582090 GORJNVLXUKMGBF-UHFFFAOYSA-N 439.487 4.768 30 10 IJEE C=CCn1c(SCc2nc(CCC(C)C)no2)nc2sc3c(c2c1=O)CCCC3 1188252194 HEXTYLCTJZBXBH-UHFFFAOYSA-N 430.599 4.787 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2c(F)cc(Br)cc2C1 1192185123 WIPWBFBFUYESRK-CQSZACIVSA-N 437.378 4.611 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 1201424035 BIUOLUXOSAVDGD-UKILVPOCSA-N 428.511 4.796 30 10 IJEE COc1cc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)ccc1OC1CCCC1 1208385540 HAKSXZNCYAHUOK-CQSZACIVSA-N 434.945 4.581 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)cc21 1209775065 SVFTZKHKZZHBPV-ZYSHUDEJSA-N 426.561 4.736 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)cc2n1 1220157757 UUYNMBUOMZZVJV-QGZVFWFLSA-N 429.446 4.642 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccccc1 1246657083 ZNQJPBPLICBGLT-JOCHJYFZSA-N 425.960 4.905 30 10 IJEE C#CCSc1ccc(COC(=O)c2c(Cl)ccc(S(=O)(=O)CC)c2Cl)cc1 1269308696 SAVZDQFPAIBCLO-UHFFFAOYSA-N 443.373 4.869 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1cnn(-c2ccccc2)c1 1275389712 NXBYPUWPSDUANN-UHFFFAOYSA-N 426.314 4.771 30 10 IJEE N#Cc1ccc2c(c1)CCN2C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1275604299 DWCLBKPFDXHPGZ-UHFFFAOYSA-N 446.304 4.776 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1c(C)sc(C)c1Br 1286286171 VFVUWRFXBVDCIF-ZDUSSCGKSA-N 444.402 4.596 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(CCOC)CCC1 1286421458 PFXDVXPTYITTQR-UHFFFAOYSA-N 432.612 4.912 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(C)CC1 1286499674 UFFFAWGPZTYMGS-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCc1ccccc1OC(F)F 1286516816 LIUCCEBJGKHHHU-HSZRJFAPSA-N 426.467 4.683 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCCO 1286566965 QLRPJYDHEXIVJQ-UHFFFAOYSA-N 441.801 4.926 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286621283 BBICNSIUPCOMQB-RBUKOAKNSA-N 444.004 4.915 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(F)cc2C)CC1 1286638691 JMFMFMFZQYMODS-UHFFFAOYSA-N 444.352 4.882 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccsc1)c1ccccc1 1286678551 ZJZBZQFZILSXNL-NRFANRHFSA-N 435.597 4.572 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1286680134 AJHSEGNKRISUFQ-PLXFJCCSSA-N 438.616 4.772 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CC)C1)c1ccccc1 1286681992 ZNQOZGMWYIBCRK-TZIWHRDSSA-N 449.624 4.866 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1286687576 QLAQSJZUKZAPMU-UHFFFAOYSA-N 439.579 4.784 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286744098 CTPFAKJMPPIKHN-ZJCBTPCYSA-N 442.579 4.852 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CC[S@@](=O)C(C)(C)C 1286744993 RBXISDXLDZGGRF-SSEXGKCCSA-N 442.654 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)CN(C)C 1286746778 AKMZNBCCSHBMAS-UHFFFAOYSA-N 434.613 4.659 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCC2(CC1)OCc1ccccc12)C(C)C 1286751205 CKDYLNDCYMQYMR-DEOSSOPVSA-N 449.643 4.565 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC 1286762100 AFVGWFUAFGWNKM-NRFANRHFSA-N 439.604 4.995 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC(C)C)C1CCCC1 1286782017 HZSWWOGVYZFVON-UHFFFAOYSA-N 437.632 4.950 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2sccc2Br)C1 1286810187 OGXFVPNKNBZMTE-CQSZACIVSA-N 439.423 4.520 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cscc2C)C1 1286813509 WEYXXOXQEVIGRD-QFIPXVFZSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1286834564 ILRQHWZKOYVLAA-LJQANCHMSA-N 441.670 4.991 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1293371375 FNMKERCTEOSOLP-SHQCIBLASA-N 448.659 4.848 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1300384606 SUAORFHZQOKTIQ-DZFGPLHGSA-N 428.964 4.633 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1300416390 FBHSJXOJKFWWKZ-JOCHJYFZSA-N 429.593 4.675 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1ncc(C)s1 1300606613 PHDIMFHLXCAWMJ-AWEZNQCLSA-N 444.402 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)SC 1300816104 IKYSKBNDLQYIEH-JLTOFOAXSA-N 439.412 4.908 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(c3ccccc3Cl)CC2)nnc1C(C)(C)C 1300896991 MQPVOEUFOAGSRK-GHTZIAJQSA-N 444.023 4.537 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1300972674 OMGIFRKBGQQXIG-WFXMLNOXSA-N 448.995 4.525 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(F)(F)Br)CC1 1301075989 WUHGQUVUWFWBCR-UHFFFAOYSA-N 447.711 4.751 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)N(C)C)CC1 1301130144 PSDROKHVEPOCLV-LJQANCHMSA-N 446.039 4.604 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1301190462 SYIAAAUHDSBJDC-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCS1 1301337576 IQLUOINKWSHCOV-RTWAWAEBSA-N 428.602 4.617 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1301566011 IXJQWBUAFKBSQL-MOPGFXCFSA-N 436.572 4.927 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1301608959 BVXQYCGXAZGRQL-QFIPXVFZSA-N 425.646 4.566 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1nc(C(C)(C)C)cs1 1303065344 CAWPUHCSUWWYKI-UHFFFAOYSA-N 437.617 4.909 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C)N2CCc3ccccc32)cc1OCC 1308236657 GQAVRMIEDMDMPA-KRWDZBQOSA-N 445.401 4.953 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 1309086757 FNLOOUDZMKXIAG-UHFFFAOYSA-N 432.879 4.881 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C)c1I)c1ccc(Cl)cc1F 1311335617 MCXRJSLIRJDMOP-AWEZNQCLSA-N 442.659 4.888 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1312270269 JDEUNLSXFKSOPU-ICSRJNTNSA-N 431.577 4.535 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1312371542 UVDMWLRZKPRBKQ-WMZOPIPTSA-N 436.394 4.605 30 10 IJEE COc1cccc(C2=NO[C@H](C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)C2)c1 1347983567 DQHQANSULKYPQT-QRWLVFNGSA-N 437.565 4.911 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(-c2cc(C)n(-c3ccc(C)cc3)c2C)cs1 1349600462 ISZPOFJBBQGCGJ-OAQYLSRUSA-N 436.581 4.935 30 10 IJEE C=CC1(CC(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)CCCCC1 1353885047 GTSDSMXYJHGMFU-UHFFFAOYSA-N 441.597 4.851 30 10 IJEE C=CCOc1ccc(CC(=O)N(CCC)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 1354032071 PQVSLMRURRCDND-UHFFFAOYSA-N 435.351 4.978 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2[C@@H](c3ccccc3)[C@H]2C)c(C(=O)OCC)c1C 1355007258 CRUJXRAHQHRNRT-KBRIMQKVSA-N 427.522 4.564 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(Oc2ccccc2)nc1 1358954810 XMSGNUHLXQAMPU-FYYLOGMGSA-N 445.567 4.502 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCCCN1CCCC[C@@H]1C 1358988907 HXNDJDNZEWQXOS-QHCPKHFHSA-N 431.628 4.625 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)c1ncc(C)s1 1358989962 VWFRSQXKNJNLDP-GOSISDBHSA-N 440.576 4.525 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC1CC1 1359095861 SWHLNNBNNPGZSQ-NFBKMPQASA-N 440.588 4.568 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCCOC)CC1 1359182127 UEZYLCDAVUVIAM-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359192990 UGOBXHNCSPWCJH-SRHPJPHMSA-N 430.637 4.518 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1359197550 SKHQCKSMQARSKZ-HXUWFJFHSA-N 434.588 4.638 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359208334 KDIYUDVIMYMZPK-CTNGQTDRSA-N 438.551 4.870 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1C[C@@H](C)O[C@H](C)C1)C1CC1 1359245967 LAXVXEYLFULJFF-RTBURBONSA-N 437.588 4.506 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCCC(F)(F)F 1359256746 ORMPKHWIIXEIIM-IBGZPJMESA-N 433.478 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCSC1 1359265157 ZTWGZCSMCVTYLA-LJQANCHMSA-N 425.627 4.661 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCC1 1359271626 ZPKOKVPCKNFXBW-HXUWFJFHSA-N 429.609 4.761 30 10 IJEE CC(C)(C)n1cc(C#N)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1435380092 AQWPALXEEDDDME-UHFFFAOYSA-N 434.340 4.565 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1ccccc1 1438195031 YBIUUONZRUKKIS-QGZVFWFLSA-N 448.382 4.858 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1446507754 WBGWJMCHKUNVBQ-WOJBJXKFSA-N 427.342 4.626 30 10 IJEE C#C[C@](C)(CC)NCC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 1460133867 WNAAJFQMKAYANL-HHHXNRCGSA-N 426.564 4.748 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C(=O)OC)c2ccc(OC)c(Cl)c2)cc1OC 1462117865 NNAUBVLNGVARHJ-LJQANCHMSA-N 440.323 4.579 30 10 IJEE CC(C)(CC#N)CNC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 1465655559 CCQJQNHMLVFWKR-UHFFFAOYSA-N 432.446 4.697 30 10 IJEE C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)Oc1ccc(Cl)cc1 1465979781 DUHWQPAAKAQJLY-ZDUSSCGKSA-N 430.295 4.640 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CC(=O)Nc1c(C)cccc1C 1466816965 RNBHWGMMQAJOOM-UHFFFAOYSA-N 446.345 4.733 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N(C)Cc3ccc(Br)c(F)c3)c2c1 1472755740 AGQOXRJNJGQJIC-UHFFFAOYSA-N 430.277 4.662 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccc(F)cc1 1472930913 OCQULUTUFOQLHE-LJQANCHMSA-N 429.492 4.676 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)cc1OCC 1474216532 XHVDKSWULAQXEM-DZFGPLHGSA-N 432.333 4.980 30 10 IJEE C=CCN(C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)[C@H](C)COC 1475832821 WJNKTARJVBNLJR-CYBMUJFWSA-N 425.407 4.606 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1 1475973621 ONPGKRZOJKKQKE-FQEVSTJZSA-N 435.977 4.665 30 10 IJEE N#CCC[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccccc1 1477860960 CGBDWGQALVOPOC-RBBKRZOGSA-N 428.939 4.788 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1501973712 IBVODJPCQQETLR-QGZVFWFLSA-N 448.537 4.716 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC(C)(C)C)cc1OC 1504186684 BTIQTKVVESOADX-DEOSSOPVSA-N 425.577 4.919 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1507560943 PETIIDCVHSSNKX-XZOQPEGZSA-N 434.632 4.543 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1507601460 FYXCKABXWUUFFH-AXHZCLLHSA-N 444.023 4.651 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(C)CCOc1ccc(Cl)cc1 1507775033 GSZPYOLOETVOBX-CYBMUJFWSA-N 427.774 4.869 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 1507795779 KBUKTMWQDLZCNP-PZJWPPBQSA-N 444.023 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)CC[C@@H]1C 1507811295 PNYCHXQLXAFORF-QANWUKQVSA-N 430.637 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)[C@H](C)c1ccco1 1507811351 QAPYHFBWHKEMLU-STSQHVNTSA-N 440.519 4.768 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1507826821 DTPMTSYLEYVKOI-IYOUNJFTSA-N 440.535 4.864 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2ccc(CC)o2)nnc1[C@@]1(OC(C)C)CCOC1 1507875145 NVUPVSQTXFGMIT-XMSQKQJNSA-N 434.968 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC2CC(OCC)C2)CC1 1507877424 BJHRTRIRYFTSCV-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCSC2)CC1 1507900634 SHAKLNFJGCHISQ-IBGZPJMESA-N 442.629 4.896 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OC)C(C)(C)C 1508038590 UOUCKTNMJKEGMT-UWJYYQICSA-N 446.661 4.831 30 10 IJEE N#Cc1cnc(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)c(Cl)c1 1515117682 HYWUSUMTRBDABJ-UHFFFAOYSA-N 434.858 4.591 30 10 IJEE CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1515537982 GXEREPDWYAVOBK-UHFFFAOYSA-N 430.556 4.818 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2c(-c3ccccc3)noc2C(=O)OCC)cc1OC 1521434252 FZLJWUIYJQBFBB-OWBHPGMISA-N 448.475 4.744 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)c1ccc(F)c(F)c1 1523232721 OICXQPZNWAUVLH-QFIPXVFZSA-N 429.394 4.683 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2ccc(C(=O)OC)c(Cl)c2)s1 1524195156 IUQQCJMCGZKEPR-UHFFFAOYSA-N 432.350 4.884 30 10 IJEE Cc1cc(C#N)cnc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1525262440 FMWKNESIOHILHG-FQEVSTJZSA-N 436.968 4.506 30 10 IJEE C/C(=C\C1CCC(C)CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1526183708 JWCYHHBJBVSANF-KOURPSBDSA-N 445.629 4.991 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)cc1 1530915403 DEXGLKINRZZAPG-DEOSSOPVSA-N 425.532 4.658 30 10 IJEE CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1537067236 COEWVIJKCFGPRZ-NIYFSFCBSA-N 427.548 4.614 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccccc3OC)cn2)ccc1OC 1537916421 HARZJJVUMGRSSQ-GOSISDBHSA-N 447.491 4.502 30 10 IJEE COC(=O)[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cc(C)cc(C)c1 1538040324 CYVQSXQIOGTHRM-HSZRJFAPSA-N 430.529 4.970 30 10 IJEE Cc1c(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)sc2ccc(C#N)cc12 1538225897 FBSSMJVCPVKFAC-HNNXBMFYSA-N 431.286 4.847 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2ccco2)C1 1539094674 SOSCZCFKVJEAKA-REWPJTCUSA-N 434.540 4.619 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1539132612 OQHREHICMQBDJE-WOJBJXKFSA-N 426.992 4.757 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2[C@H]3c4cc(Br)ccc4C[C@H]32)cc1 1539198171 SOKGOXIHVJHKRV-BAGYTPMASA-N 440.337 4.983 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)OCC 1539299323 HGJFJEQGZWCDPH-UHFFFAOYSA-N 443.595 4.631 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(CCC)CCC1 1539661905 MQIRLJREBVIWCS-UHFFFAOYSA-N 444.649 4.611 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(Cc1cccs1)C1CC1 1539685994 BHFOCQVQSMOXSK-UHFFFAOYSA-N 432.391 4.853 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1539691360 WVGUQLOUAQWLSH-SFHVURJKSA-N 445.405 4.724 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1539701954 USVFHADIGCREKV-QFIPXVFZSA-N 439.535 4.959 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC=CO2)CC1 1539874436 GHBIMVZELLORSO-IBGZPJMESA-N 429.362 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1539906825 UAYXGNOEFZVGGW-HKUYNNGSSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C)cc2)CC1 1539923514 AZJWHOADANVWSC-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C1 1540893080 WNCVTQKJPDOMIF-PMACEKPBSA-N 433.021 4.589 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@H]2C)o1 1542299907 GPPLJDLETRNJLC-XMSQKQJNSA-N 433.556 4.950 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 1542919799 ZCIXOQGGOYCTET-UHFFFAOYSA-N 432.545 4.752 30 10 IJEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1ccc(Cl)s1 1545129152 GKPDQZSEISFBLW-CQSZACIVSA-N 430.002 4.716 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl 1557620216 RWDVAQNPYFTLEE-HDICACEKSA-N 430.957 4.772 30 10 IJEE C=C(C)[C@@H](NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccc(F)c(F)c1 1559767301 WUDVXZHKAAABSW-WIYYLYMNSA-N 436.543 4.978 30 10 IJEE Cc1ccc2ncccc2c1S(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1561678273 CKBWYPHAIZLELA-HNNXBMFYSA-N 433.455 4.665 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)CC1 1563320267 NPDHGUSVYWTXRK-UHFFFAOYSA-N 448.405 4.627 30 10 IJEE C=C(CC)CNC(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 1564920564 IGLBACNVWKCCNY-UHFFFAOYSA-N 448.430 4.971 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2)c1ccc(Cl)cc1F 1583579208 PAHCWPOZUZGHJI-BNPMJZEOSA-N 427.903 4.795 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 1584415045 IBZJNLDPCHUORA-KRWDZBQOSA-N 443.532 4.711 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)C(C)(C)C)cc1 1585443340 OFRPTTHSDJKKES-QFIPXVFZSA-N 443.632 4.846 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1 1587383453 YJVANKPDRZDWOA-IBGZPJMESA-N 444.915 4.880 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C 1587564763 ZADODGUNVGUYLS-WFXMLNOXSA-N 425.529 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(Cc2ccccc2)CC1 1587574443 HZJIAIXREGAMEO-INIZCTEOSA-N 438.373 4.517 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)Cc1cccs1 1588245707 OGPSFMUVDRLBBP-NRFANRHFSA-N 441.604 4.684 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(Cl)=C(Cl)C1 1589529956 QVCDIZBYMMKLKQ-HNAYVOBHSA-N 434.371 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1589615307 PCBVYIYMLQPFQY-KRWDZBQOSA-N 448.999 4.699 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cnc(C)s2)CC1 1594218486 HMZHYQWENSGPTQ-UHFFFAOYSA-N 439.585 4.568 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)c2c(C)noc2C)CC1 1594430100 JCSKAMICFFHJEC-GOSISDBHSA-N 435.572 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1594472707 HPMXFHQPUJUIAU-DEOSSOPVSA-N 445.007 4.975 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1 1594572583 GLNHOAZEFHDIIA-UHFFFAOYSA-N 433.604 4.612 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1594698436 QZALAQMHTTXDGA-UHFFFAOYSA-N 435.616 4.845 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CC=CCC1 1594720810 XRQKXWILYJJKKZ-FQEVSTJZSA-N 446.599 4.824 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1595120680 YPAUFEPBEMSCBW-SFTDATJTSA-N 439.604 4.707 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1csc(CC)n1 1595126966 AEJPYBZRETUYGX-UHFFFAOYSA-N 434.544 4.739 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC(C)(C)CN1CCCC1 1595148962 DWKKHUMWDMUXJP-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H](O)C1 1595149154 KRRNMKRTVVIEFU-PZJWPPBQSA-N 433.581 4.622 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CC[C@H](C)C2)C1 1595707348 VRKBMUAWCQTMBM-OKZBNKHCSA-N 445.405 4.925 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC(F)(F)F)C1 1595744949 PLRVUGATFVUJND-SFHVURJKSA-N 438.494 4.598 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1595851247 ZHJKJBYQDQSNEF-PWIZWCRZSA-N 427.574 4.787 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1595896367 XUWNMVJVRSSLJB-FQEVSTJZSA-N 432.584 4.854 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 1596342957 GAPDOUNHHHEKBG-TZIWHRDSSA-N 449.494 4.569 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C)(C)c3ccccc3Br)n[nH]2)c1C 1596358493 MTVRYBKOBJEBKW-UHFFFAOYSA-N 442.361 4.504 30 10 IJEE C=CCn1c(Sc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 1612165056 KYYMDHZBIGOPNS-XYOKQWHBSA-N 436.493 4.685 30 10 IJEE CC#CCCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F 1613118283 NFFXBXLCLIDXID-UHFFFAOYSA-N 427.501 4.605 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2Cc2occc2C)cc1 1616402190 DPYVRIPNIMFGBW-GOSISDBHSA-N 435.528 4.507 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C)(C)C1 1618656600 YNSRCKJWDUOSLO-QFIPXVFZSA-N 438.955 4.905 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H](C)CC#N)C(C)(C)C 1619006441 FCJOCGGELXHBPW-RXVVDRJESA-N 441.620 4.954 30 10 IJEE C=CCCn1cc(CN[C@@H](c2ccccc2)c2ccc(OC)c(Br)c2)nn1 1620788478 MFSXLSUKAPUNQK-NRFANRHFSA-N 427.346 4.505 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c1 1623029103 HAQBDBNCEVQWNX-UHFFFAOYSA-N 441.265 4.821 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(NCC)c(Cl)c1 1626553783 GAQAGODMDCJBRN-UHFFFAOYSA-N 426.717 4.897 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1)C(=O)OCC 1627751997 KRKBTIJDVCLMLP-HSZRJFAPSA-N 431.536 4.535 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)C 1628845097 VYYLZXCCBBXQHY-NHCUHLMSSA-N 427.639 4.526 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O 1633043590 OAWDRYRJZWCCIS-UHFFFAOYSA-N 432.398 4.577 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)c1ccccc1 1634135028 RHTGPGTZIUAPAC-QHCPKHFHSA-N 429.568 4.723 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1F 1636567494 RZCUCTCQSPETHM-RTBURBONSA-N 425.262 4.729 30 10 IJEE C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1642940469 BSVBNCDKBAMKGB-FOIQADDNSA-N 442.350 4.987 30 10 IJEE COc1ccc(Cl)cc1C[C@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)C1 1644674495 HAVAEZFVLRBHNX-MRXNPFEDSA-N 431.989 4.792 30 10 IJEE C=CCn1c(SCCOCC(F)(F)C(F)F)nc2sc3c(c2c1=O)CCCC3 1651637745 KWDBBULSPPRMMQ-UHFFFAOYSA-N 436.496 4.532 30 10 IJEE C#CCC1(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 1652532744 JZFPVUFKEDKWSD-LJQANCHMSA-N 430.548 4.756 30 10 IJEE C=CCCC[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1 1654659431 ANINFIYJIZMVDD-RXVVDRJESA-N 445.485 4.980 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1)c1ccc(F)c(F)c1 1655031175 JMNFWTCMZXDJMQ-FQEVSTJZSA-N 441.459 4.764 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Br)c(OCC(C)C)c2)cc1 1664937110 AOECLWWHRSYUMZ-UHFFFAOYSA-N 431.330 4.818 30 10 IJEE CC1=C(Br)CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 1671797577 GAKFDQCLHYEOBN-UHFFFAOYSA-N 442.361 4.948 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 1671889813 OXXUSBWHEIWBPO-OZOXKJRCSA-N 426.358 4.619 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(Cc4ccc(C)nc4)C[C@@H]3[C@H](C)CC)cc21 1673311388 GYNLPSAJXJGNQF-KBMIEXCESA-N 446.599 4.690 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@]2(CC)Cc2ccccc2)cc1 1673393362 ODAMZZNGXGYRBH-DEOSSOPVSA-N 441.597 4.512 30 10 IJEE C=CCC1(CNC(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1679811586 NYXCGMHVXCOVPE-QHCPKHFHSA-N 440.609 4.924 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)C1 1681903160 WDGPYYOFJJFYLF-GOSISDBHSA-N 428.964 4.938 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)c1ccccc1 1686919895 NVFUZTVGYGWNIZ-OAQYLSRUSA-N 427.342 4.514 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H](C)c1nccs1 1689914703 AGVBJYJCJIHJGZ-QGZVFWFLSA-N 430.581 4.912 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccccc1OC 1690225585 DQHOUOPPBIIKMN-SFHVURJKSA-N 440.345 4.599 30 10 IJEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1690340122 FZJQOPSOYCQONB-CYBMUJFWSA-N 444.764 4.979 30 10 IJEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnc(C(C)C)nc1 1690350992 DSCVGRQGOSBPNA-UHFFFAOYSA-N 435.963 4.583 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1F 1690358579 FCDLBOTVONBCFJ-VQIMIIECSA-N 436.959 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC1CC1 1690428603 WILSNHWKIARLLT-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CCC 1690432950 PIYLJFKESCDTLW-IBGZPJMESA-N 425.625 4.679 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 1690441569 BBPUBDZWXAAJAC-NFBKMPQASA-N 433.604 4.660 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(C)n(C)c1=O 1690446991 JBKQPWZMFPRTOH-UHFFFAOYSA-N 439.991 4.837 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC1(O)CCCCCC1 1690579746 RMRKDYVBGMWJCR-UHFFFAOYSA-N 437.613 4.603 30 10 IJEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1698491413 AQNKVKGPPNMFLM-MOPGFXCFSA-N 432.494 4.688 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(Cl)nc1 1705483666 ZNFKNPPSGSPUFV-CQSZACIVSA-N 444.764 4.571 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2(CC)CCC2)c1 1705508537 XPIVJSZVQCXIQA-UHFFFAOYSA-N 433.600 4.647 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](OC)C(C)(C)C 1705589830 WIKOJMZTCWNAMH-GGAORHGYSA-N 436.600 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCS1 1705591122 GMLFJOBWWMWXES-HNNXBMFYSA-N 449.443 4.518 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)C2(CCC2)C1 1705664791 BHCPAMYYGGHBCO-XUVXKRRUSA-N 430.662 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(C)C)C1 1705696982 RRANNKGLTVNDSJ-URVUXULASA-N 439.560 4.707 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705733589 RFQWHZWCDZQNQS-TYPHKJRUSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2c(C)noc2C)CC1 1705776258 BTORWAQJQDRMLF-KRWDZBQOSA-N 425.508 4.613 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1705781619 DPQLLYVINYGJJP-GOSISDBHSA-N 431.625 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC)C1 1705789607 QFNMTEUHXADWED-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](COC)C1 1705801879 UTTMJCSXPGFNGK-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCOC2(CCCCC2)C1 1705827945 WJUVGZYADPYKES-UHFFFAOYSA-N 430.980 4.731 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)CCCO2 1705877050 SNMPRKQBTPRKAV-FYYLOGMGSA-N 436.600 4.748 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(C#N)o1 1705879101 MVZNXZQNJARHOV-UHFFFAOYSA-N 433.899 4.940 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccccc1C 1722283065 TZINMJMMWRRXFO-HKUYNNGSSA-N 434.609 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCC1(C)C 1722303539 PJWUOTZCFDPZEO-FHWLQOOXSA-N 429.609 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](SC)C(C)(C)C 1722401403 WNSWBDGWFNFGOA-QFIPXVFZSA-N 438.641 4.715 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1C(C)C 1722453906 GGZWJTMEQLHJPF-AWEZNQCLSA-N 439.448 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCOCC1 1722514623 DIZGKHGRNDRALY-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1snnc1C 1722516347 YEMQALAHAMOIIP-UHFFFAOYSA-N 440.617 4.765 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722553096 CKZBARZZESZVLG-HXUWFJFHSA-N 425.646 4.766 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1cccc(NC(=O)OC)c1 1722662979 QCSHMFROYVLJHN-UHFFFAOYSA-N 448.552 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC=CO1 1740538324 FTHHMPZZWKAHIH-HIFRSBDPSA-N 435.753 4.512 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(CC1CCC1)CC1CC1 1740567240 IREJQAGWFPEYGY-UHFFFAOYSA-N 444.421 4.866 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)C1CCCCC1 1740603369 QFXRICCASUHDAD-MZNJEOGPSA-N 426.630 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCSC1 1740724424 CBAJBBMOBAVBLC-IUKKYPGJSA-N 428.577 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740760009 NKTUVBXNKZFBEU-WPYKKVEZSA-N 445.007 4.689 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(CCN(CC)CC2CC2)CC1 1740780516 VODPLIAOLBMZAI-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](CC)OC)CC1 1740836834 NRVAFHMWLVAWLC-HXUWFJFHSA-N 436.556 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(C)(C)C 1740844788 USWUSOPZNKECHD-UHFFFAOYSA-N 446.665 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCCCO1 1740847085 WNNUTVNUDVCFSV-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740871200 UJHQFMDSZYZVBO-QHCPKHFHSA-N 435.616 4.625 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(F)cc1)N(C)C)C1CC1 1740912349 ANYPUFIXGWFNDD-OAQYLSRUSA-N 425.577 4.527 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CC1(N(C)C)CCC1 1740920253 JZJBVYLNKCZIQJ-UHFFFAOYSA-N 425.596 4.827 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@H](O)C1 1741516084 GHSFDPOXWJMMBA-OALUTQOASA-N 429.996 4.916 30 10 IJEE CCC1(Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)[C@H](C)CC#N)CC1 1744290626 ANNIMNJAFYFUFQ-CQSZACIVSA-N 432.366 4.645 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C#N)cc1)C1CCCC1 1746627051 CWSNMKLUYFNRHP-QHCPKHFHSA-N 432.572 4.767 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1748734377 FQKQGATVSCHFTP-ICSRJNTNSA-N 442.007 4.533 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cccc(C#N)c1 1748740085 NERAKORBNZBOMH-UHFFFAOYSA-N 440.370 4.691 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1nc(C(C)(C)C)cs1 1748799935 PKMZKUNMEPWGSR-UHFFFAOYSA-N 437.613 4.540 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1748917669 HYPREZATAJIESM-UZUQRXQVSA-N 431.987 4.708 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC[C@H]1C 1748951454 VMOQNESWOKUEGV-OFNKIYASSA-N 445.611 4.875 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)c1cccs1 1748956956 PSTOQGCJNXNQQY-UHFFFAOYSA-N 445.592 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)CC 1749064864 MDLMILUPPBYERC-AREMUKBSSA-N 446.599 4.664 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCN(C)C1CCCCC1 1749078786 PUJZTPPLWVJYKP-HHHXNRCGSA-N 449.643 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@H]1CCCCO1 1749079903 CGHZTXUGYDUDGN-QTDDQOEGSA-N 428.621 4.538 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1Cl 1749134518 ZVZSYJCIEUMRGU-NZQKXSOJSA-N 437.975 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1 1749141123 WYQFIWCONIABJS-MKUJHJDCSA-N 448.677 4.508 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1749174425 PJCNQDSIRVMLKS-HSZRJFAPSA-N 435.616 4.625 30 10 IJEE C=C(Cn1c(-c2cccn2C)nnc1N1CCC(CN(C)CCCC)CC1)c1ccccc1 1749242149 DEKMGKIWOZSBAF-UHFFFAOYSA-N 446.643 4.945 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCCC(C)C)CC1 1749342891 RIFPHSCIJBPGHG-HSZRJFAPSA-N 440.588 4.646 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](CC)N2CCCC2)CC1 1749347094 ITYITYFIRCSEKS-HSZRJFAPSA-N 437.632 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749359760 PLUKCNBKXSGKTQ-OAQYLSRUSA-N 440.588 4.570 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CC2(O)CCCCC2)cc1 1750382234 CMXNGYXYPHQBER-UHFFFAOYSA-N 447.505 4.681 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1760132035 GWKLRJMHPPFLNG-UHFFFAOYSA-N 440.016 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@@H](C)C1 1760326826 YHMOTDIFUVWHML-PWHSHALESA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCO[C@H]1C(C)C 1760340700 KSLLZRMQADNZLG-QPPBQGQZSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCC[C@@H](C)C1 1760340724 LSNKWPFWAGQPIL-HXUWFJFHSA-N 425.621 4.608 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(C)(F)F)c1 1760341032 XAPWKSKIXNBVPY-UHFFFAOYSA-N 428.531 4.702 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1760349934 JAVSDNBRGIEPJM-UHFFFAOYSA-N 438.597 4.867 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCOCC)c1ccccc1 1760362805 VZZFFCIYQTYWNZ-UHFFFAOYSA-N 444.377 4.612 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC2(C)C)CC1 1760387748 VBSWCVAWVFCKSV-RBUKOAKNSA-N 429.609 4.595 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCN(C(C)C)C(C)C)CC1 1760406029 PFTMJDGHXURKAM-UHFFFAOYSA-N 429.584 4.517 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1760420662 TWBQTJIWAOCLHQ-FGZHOGPDSA-N 426.605 4.958 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1C(C)C 1760447844 STDZEIVBBRZJOX-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC(c2ncc(C)s2)CC1 1760452077 CVWXSYIVBGTJGA-UHFFFAOYSA-N 443.642 4.672 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC1 1760488831 GQELFMHOTMQJLI-MOPGFXCFSA-N 430.980 4.903 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@H]2C[C@H](F)C2)C1 1760538135 WFBGWZUGXDOZGY-SZMVWBNQSA-N 434.943 4.527 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cc4ccccc4o3)nnc2N(C)[C@@H](C)CC#N)c(C)o1 1761649496 GHYSLQKXOAKKRM-IZHWHUGBSA-N 433.512 4.547 30 10 IJEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 1770312053 CVSUQGTZXPWVIB-QFUCXCTJSA-N 425.577 4.533 30 10 IJEE Cc1csc(N=C2S/C(=C3/C(=O)N(C)c4ccccc43)C(=O)N2C2CCCCC2)n1 1772740547 ZBXXEOJEYFDWQA-BSYHHBANSA-N 438.578 4.735 30 10 IJEE Cc1cc(O)cc(=O)n1CCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 1859743775 IMDIHMMUQYHMDQ-UHFFFAOYSA-N 439.471 4.690 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)CCCOc1ccc(C)cc1 1861688954 ARXTUTJUSRNFJR-JOCHJYFZSA-N 436.662 4.869 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446339 PYNJHDQKZODDNH-PKOBYXMFSA-N 432.303 4.751 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862493494 QTQUZDXBGFEYJS-JOCHJYFZSA-N 433.504 4.913 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)c(OC)c2)cc1 1862531460 OAZYHLAPGRDZRR-JOCHJYFZSA-N 449.528 4.803 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cccc(Br)c1 1862540389 MTSIPYPGFJMRLW-LJQANCHMSA-N 428.326 5.000 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 1862613983 VBBGETGUJOHZRN-QHCPKHFHSA-N 434.580 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862674089 JHMSPRYTXMFIQL-QHCPKHFHSA-N 431.463 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862695483 GBPMBAHLPCSOFD-XMMPIXPASA-N 448.563 4.702 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Br)cc1 1862709670 AVTJEKSKEDUHNO-ORAYPTAESA-N 444.325 4.835 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)c1 1862919751 FPOCHSTULGEAIE-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(Cl)cc2C)C(=O)N(c2ccccc2C#N)C1=O 1863065654 YXZPOQUWYWSJAZ-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 1863078198 BJCUQSHVOPJVEE-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863495480 VBHQSORKGDQZMF-UHFFFAOYSA-N 432.483 4.740 30 10 IJEE CC[C@H](C(=O)N[C@H](CCSC)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866953811 DOMQTUOVQDJFPM-VQTJNVASSA-N 429.973 4.582 30 10 IJEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc(Cl)cc1 1870146993 RUWBEUMUQFPCMH-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870233346 LBCHWARQNBXYOW-UHFFFAOYSA-N 440.952 4.891 30 10 IJEE C=CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(Br)ccc1OC)C3=O 1871350366 BYMYJDKPBHYHLC-GRSHGNNSSA-N 442.309 4.720 30 10 IJEE COc1cc(/C=C2\Oc3cc(OC(=O)CC(C)C)cc(C)c3C2=O)cc(OC)c1OC 1871386221 KGFJCPMHWMZDNH-NVMNQCDNSA-N 426.465 4.589 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccnc2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871554609 ODGNHVVZRQWVTL-UHFFFAOYSA-N 429.572 4.520 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871874363 QXGGNWWFOKVNPV-YWZLYKJASA-N 438.952 4.709 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)C(C)C)S(=O)(=O)CCCC 1872286157 LQVYEQQKYJHSQO-QHCPKHFHSA-N 449.661 4.504 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1)S(=O)(=O)CCCC 1872515042 OTALKJRQDRBTSM-HSZRJFAPSA-N 428.598 4.991 30 10 IJEE CCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(Br)cc1 1874309458 XANIFMYIDGXDLQ-HYARGMPZSA-N 445.386 4.829 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccncc1 1874313294 NNVGQTSLWOTTCP-JVWAILMASA-N 447.539 4.781 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)cc1 1874442622 HGHVBRJBBQXPFN-PGLVWIQMSA-N 426.517 4.842 30 10 IJEE CCCCOc1ccc(/C=N/n2c(S)nnc2CCOc2ccccc2)cc1OCC 1874562880 XFAVGWWVZPBYPI-JJIBRWJFSA-N 440.569 4.648 30 10 IJEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)cc1OC 1874698299 PJZXOGDPTDOLHS-FMIVXFBMSA-N 448.471 4.836 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3cc(C)ccc3OC)c2)cc1 1874704781 ZPGLUFAIBFCMMC-MDWZMJQESA-N 432.472 4.893 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 1874725926 VMXRDOLCGKIPOY-UHFFFAOYSA-N 427.888 4.747 30 10 IJEE CCCCCCCCC(=O)NCCCc1nn2c(CCc3cccs3)nnc2s1 1874796005 UAGBGODBBHCYMH-UHFFFAOYSA-N 433.647 4.832 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccccc2OC)cc1[N+](=O)[O-] 1875119087 DGRSJRLACWEGQL-OUKQBFOZSA-N 427.453 4.994 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875144008 BGEJYCMXRSTBND-YSESTWPTSA-N 436.504 4.721 30 10 IJEE CCc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150603 WAEAZEBIDOCEEE-UKTHLTGXSA-N 430.456 4.858 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cnccn1 1875161887 MMPPXOMOHXONPE-GORDUTHDSA-N 430.794 4.532 30 10 IJEE N#Cc1cccc(S(=O)(=O)NCCSc2cn(Cc3ccccc3)c3ccccc23)c1 1891882164 YNOCAPUQBHTFJD-UHFFFAOYSA-N 447.585 4.632 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1949711528 AZCNFNAQJHBWHN-MOJGAOKDSA-N 426.565 4.974 30 10 IJEE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(C#N)cc1F 1951721764 MMSIFDNMFLIXCO-VWLOTQADSA-N 430.435 4.536 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](CC#N)C1 1985178868 MDSHXQQCNGCYNL-QAAIKFCJSA-N 445.563 4.748 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)C=Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 2041023465 UOVMDDWPTZEHCW-UHFFFAOYSA-N 433.861 4.588 30 10 IJEE CC[C@@H](c1ccc(C)cc1)n1nc(C(F)(F)F)c(/C=N/O)c1I 2079048725 FNLLBIRDKOVCSA-WUWVFJBVSA-N 437.203 4.622 30 10 IJEE C=CCC1([C@@H](NCC)c2nc(CCC)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2143945722 DYIJXROUALBXJH-INIZCTEOSA-N 441.414 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1Nc1cc(Br)ccc1C#N 2162303993 XJGRDCJKQOSAFP-RBUKOAKNSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)ccc2C#N)[C@@H](C(F)(F)F)C1 2163264528 UJOGLTPADNHLCK-JSGCOSHPSA-N 448.283 4.778 30 10 IJEE CCCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1C#N 2174813615 YJZOLTYMKMSVHH-KRWDZBQOSA-N 437.382 4.722 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Nc1cc(Br)c(C#N)cc1F)C2 2193304429 ZYUVDKSDYCDGHX-GNCDUGFZSA-N 442.304 4.750 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@@H](O)c1cc(C(F)(F)F)ccc1Br 2228061182 XYXCPGGRXYJVCJ-MSOLQXFVSA-N 430.264 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(N)C#Cc1ccccc1Br 2235734527 WPUCPXSDSCAWMK-CDMIOBSGSA-N 433.390 4.554 30 10 IJEE COc1ccc([C@H](O)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1 2235739409 HXWDTERVPNAXDH-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2235750251 SQEGNQPMFGZOEP-FTEYMNFISA-N 433.390 4.567 30 10 IJEE CCc1ccc(C#C[C@H](O)c2ccc(I)c(Br)c2)cc1 2239676978 PYXNUIPBAPIDKQ-KRWDZBQOSA-N 441.106 4.701 30 10 IJEE C#CC[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2244548010 JGEPFJNUVKJHPO-FQRUVTKNSA-N 444.575 4.954 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(C(=O)N(Cc3ccccc3)C3CCC3)c2)OC1(C)C 2247782285 STBOZETUPVJHKT-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2267097567 PUURHUVSYHMSDN-HRTMPFAESA-N 440.437 4.666 30 10 IJEE C=CC[C@@]1(COc2nc(OC)ccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2287840588 ZIVMUZRAHAKJNM-HXUWFJFHSA-N 441.366 4.825 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@@H](N)C#Cc1ccc(Br)cc1 2296296504 OTLFTLVDZFZILN-FQEVSTJZSA-N 435.406 4.945 30 10 IJEE CC1(C)OB([C@@H]2CCN(Cc3ccc(Cl)c(I)c3)C2)OC1(C)C 2303124690 SLANOGQWBPOJPU-CYBMUJFWSA-N 447.553 4.613 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c1 2314429598 KQCLBSMURPFHCB-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COC(=O)c1ccc(C=C2SC(=Nc3nc(-c4ccccc4)cs3)N(C)C2=O)cc1 2314543856 NXWLEPPTEKXVSM-UHFFFAOYSA-N 435.530 4.831 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317310916 HZZLLUPQMXDBAN-SFHVURJKSA-N 429.370 4.538 30 10 IJEE COc1cccc(C(=O)C=CC(=O)N[C@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)c1 2320927437 ILLMYHNVMFXCKV-XMMPIXPASA-N 444.531 4.757 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)cc1OC 2322216592 MJBWMESEAPYJSU-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1ccc(CCc2nnc(S)n2N=Cc2c(Cl)cccc2Cl)cc1OC 2322232029 JGFZYPZGGGRXST-UHFFFAOYSA-N 437.352 4.558 30 10 IJEE CC(C)COC(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc2c(c1)OCCO2 2322671577 NWEBDORVZWCIBU-UHFFFAOYSA-N 430.884 4.585 30 10 IJEE CCCOc1c(Cl)cc(C=NNc2nc(C)c(C(=O)OCC)s2)cc1OCC 2323874543 WIANAPWKHYGPTH-UHFFFAOYSA-N 425.938 4.915 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl)NCc1ccco1 2324241463 MQRSFCKOBIPCIY-UHFFFAOYSA-N 431.822 4.803 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)N[C@@H](C)c3ccccc3)c2C)C1=O 2325019564 CLYLKYRLFBBKIU-SFHVURJKSA-N 443.499 4.876 30 10 IJEE COc1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)c(OC)c1 2325474506 LJXCPQLCUBGRNC-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1 2325652818 UJBXEHHPWBXAGF-UHFFFAOYSA-N 446.459 4.712 30 10 IJEE N#Cc1c(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)sc2c1CCC2 2325744128 IZOHNUNTLLIZPN-UHFFFAOYSA-N 448.525 4.804 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc2c(c1)OCCO2 2326103563 NTAHFESUECMUKE-UHFFFAOYSA-N 444.944 4.503 30 10 IJEE Cc1ccc(COc2ccc(C=Nn3c(SCCCO)nnc3C(C)(C)C)cc2)cc1 2331405130 UOPKCNCEEPNCBR-UHFFFAOYSA-N 438.597 4.820 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cnccn1 2331569449 ANPUKZHUUGKHKP-UHFFFAOYSA-N 436.414 4.607 30 10 IJEE Cc1cc(CNC[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369683208 XAWGXBVLNNUUOC-XMMPIXPASA-N 448.460 4.685 30 10 IJEE CC1(C)OB(c2cc(Nc3cc(Br)c(Cl)cc3F)ncc2F)OC1(C)C 2371999085 UYKCWWXJOXSLIY-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)cc1)N2 13635429 YVVXDWCTFHCCED-WRALFONMSA-N 436.577 4.884 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1C 14092523 SZHYNAQFWFLDSR-UHFFFAOYSA-N 426.973 4.942 30 10 IJEE Cc1cc(C)cc(NC(=S)/N=C(\NCCc2cccs2)Nc2nc(C)cc(C)n2)c1 14158966 LNCRSRHGTGVRLK-UHFFFAOYSA-N 438.626 4.769 30 10 IJEE Cc1ccc(C)c(N2CCN(/C(=N\c3ccc(F)cc3)NC(=O)c3ccccc3)CC2)c1 21151807 RHJSMXOYOVCPRI-UHFFFAOYSA-N 430.527 4.682 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 33375420 MVZGHOSEGYWZDC-QFIPXVFZSA-N 428.419 4.745 30 10 IJEE O=S(=O)(c1cccc(-c2csc(N/N=C/c3ccccc3F)n2)c1)N1CCCCC1 33960199 IOGWXRWUVTZQDS-OEAKJJBVSA-N 444.557 4.570 30 10 IJEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc2c(c1)OCCCO2 72460664 YFNILULGSWNQRW-QFIPXVFZSA-N 448.548 4.610 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(C)o3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 102707140 BVWLNZLTCSQAAU-FXBHHXAOSA-N 433.247 4.818 30 10 IJEE CCCCOc1ccc(/C=N/NC2=NC(c3ccccc3)=C/C(=C3\C=CC=CC3=O)N2)cc1 137929898 SPSBDBJDTVUIFJ-VRMQKUBYSA-N 438.531 4.739 30 10 IJEE COc1cc(/C=N\NC(=S)NCc2ccccc2)ccc1OCc1cc(C)ccc1C 169942172 WDRDEXWUNUDBQT-YUMHPJSZSA-N 433.577 4.889 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccs2)c1 169987419 ZZBRXQVJOJZTLI-IBGZPJMESA-N 441.892 4.899 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccn1)c1ccc2ccccc2c1 169999689 BYVWBRIAGKSADV-QHCPKHFHSA-N 446.466 4.894 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccnc2)cc1 170002987 LDCQVUSIKOTRPK-DEOSSOPVSA-N 440.499 4.923 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2)cc1 170053934 QOMGZTWTJKGUDO-DEOSSOPVSA-N 443.499 4.525 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 170068810 TXWNWTDNTFMSLL-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2F)cc1 170069257 PLTODTZOYMFHIY-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2C)cc1 170088815 QYWWDINBNUQGQL-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)c(C)c4)[C@@H]3c3ccco3)nc2c1 170098515 SRAAQDKSASVWAM-FQEVSTJZSA-N 431.423 4.695 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCCC2)cc1 170114896 IWRHSXMOGBGDIE-UPCLLVRISA-N 447.531 4.930 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1 170138588 PVASETGXHQEAAP-FQEVSTJZSA-N 441.911 4.884 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)cc1 170183193 LTCCOVWMFJEFJC-NRFANRHFSA-N 434.517 4.710 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(C(C)C)cc1 170244389 MQDPNISZSVCVPB-JOCHJYFZSA-N 437.536 4.660 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2CCOC)cc1 170264959 BIAQGCOYPQTLEA-OAQYLSRUSA-N 439.895 4.873 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCN(C)C 170276068 BKBGPNAGUGAXRK-DEOSSOPVSA-N 428.532 4.678 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)cc1 170296143 HJAXOMGFFHKVJY-QFIPXVFZSA-N 435.451 4.984 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccc(C)o1 170304667 CFQWXFCQBAWMSI-OAQYLSRUSA-N 437.423 4.533 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(OC)c(O)c1 170322455 MOKUWKBKIHMTNU-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1cccnc1)c1cccs1 170355770 XOTJAOKCYRVTDT-QGZVFWFLSA-N 441.306 4.689 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2C)cc1 170398733 AKOWZSNEYFWILK-NRFANRHFSA-N 431.444 4.548 30 10 IJEE COc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccccc2C)cc(OC)c1OC 170436890 IBFFSNSDIJZHRJ-HXUWFJFHSA-N 439.508 4.536 30 10 IJEE N#Cc1cc(Br)cnc1Nc1c(Br)cccc1Br 310875300 GVAHFOPHXTVKPG-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CN1CCC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1cccs1 442222595 ZSAAQHSYTSVJBE-ACJLOTCBSA-N 438.475 4.723 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC=C(c2cccc(OC)c2)CC1 460797910 KQYKLYMQADFYBE-UHFFFAOYSA-N 430.552 4.873 30 10 IJEE Cc1onc(-c2cccc(Cl)c2)c1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 481078495 HGXCQPASLFNSRC-UHFFFAOYSA-N 436.899 4.690 30 10 IJEE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H](C#N)c1ccc(Br)cc1 485638579 NIHZQVQLYRZLBO-SFHVURJKSA-N 425.282 4.630 30 10 IJEE C=CCN(C(=O)c1c(C)n(CCC)c2ccc(OC)cc12)c1nc(C(=O)OCC)cs1 501947213 QNLCRAWVDUQCKY-UHFFFAOYSA-N 441.553 4.834 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](c2cccs2)C1 508919920 HXBOYRSEIPEDST-OAQYLSRUSA-N 448.548 4.943 30 10 IJEE C[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541069127 SUNZSRQHUIHZEH-IQGLISFBSA-N 439.515 4.834 30 10 IJEE CC#CCN(C)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C 550491018 HHWHEMRSYOANNJ-KHPPLWFESA-N 430.577 4.686 30 10 IJEE Cc1ccccc1N(C(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(OC(C)C)cc1 586307921 HQURWWIEBGARSM-UHFFFAOYSA-N 434.517 4.690 30 10 IJEE CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccc(C#N)cc1F 609253585 CHVYHUHIKZAHBG-UHFFFAOYSA-N 439.494 4.892 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 612941631 HUVNLIHDURKLKC-GOSISDBHSA-N 447.903 4.736 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 618732610 XHPYLDSWXORQKD-FQEVSTJZSA-N 447.564 4.811 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)c1ccccc1 757616698 FOYVNVAMYZTRBC-QIDLBESASA-N 430.529 4.594 30 10 IJEE CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(S(C)(=O)=O)cc1 758106961 KJMXWZWREFIPRW-UHFFFAOYSA-N 430.961 4.673 30 10 IJEE C[C@@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1)c1ccccc1 762442161 XRKKUHPAOPUQRA-OAHLLOKOSA-O 436.944 4.767 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnc(OCC2CC2)c(Cl)c1 784832068 YJGYDRUUONALTK-SFHVURJKSA-N 425.916 4.610 30 10 IJEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 792747457 KDOWMXMOFJFJLX-CTNGQTDRSA-N 437.540 4.815 30 10 IJEE N#Cc1ccc(N=c2scc(-c3cnccn3)n2[C@H]2CCO[C@@H](C3CC3)C2)cc1Cl 803193611 AXMVXQUGTARIIE-LAUBAEHRSA-N 437.956 4.894 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(C2CC2)C(=S)N[C@H]1c1cnc(-c2ccccc2)nc1 917929118 NAPMPQDXAMUSNW-QFIPXVFZSA-N 444.535 4.677 30 10 IJEE Cc1cccc(CSc2nnc(NN=Cc3ccccc3OCc3ccccc3)n2N)c1 1084185513 KAINCTYAZCFZGB-UHFFFAOYSA-N 444.564 4.618 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1 1116572807 ZOCZUOMPQTZVMR-NHCUHLMSSA-N 434.458 4.790 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccc2Cl)on1)[C@H](Cc1ccccc1)C(=O)OCC 1128112016 PSBNOVPMGBYJHO-OAQYLSRUSA-N 438.911 4.798 30 10 IJEE C#C[C@H](NC(=O)c1cn(C)nc1-c1ccccc1Cl)c1ccc(Br)cc1 1129731724 YISLJIJXZGSOMV-SFHVURJKSA-N 428.717 4.607 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 1136210259 ZNBJAFDBNWUTPD-GOSISDBHSA-N 446.588 4.720 30 10 IJEE CC(=O)N/C(=C/c1cccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1136286029 ZOFURAKTKIOOAO-HZHRSRAPSA-N 431.517 4.509 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1conc1C 1164197569 CSJKZCIUQVVVHY-JOCHJYFZSA-N 431.492 4.795 30 10 IJEE CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Nc1nc(Cl)c(C#N)s1 1206135809 BBVJNZBJROEAEN-SNVBAGLBSA-N 425.739 4.799 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1224982843 QAJWATSZKJALLR-LJQANCHMSA-N 443.341 4.578 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccc(F)cc1 1230478120 CRMGBIAEGYMSAK-VWNXMTODSA-N 436.458 4.745 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3sccc3-n3ccnn3)cc2Cl)c1 1264926082 HBQLRDFDBHGSBM-UHFFFAOYSA-N 435.896 4.685 30 10 IJEE C=CC1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)CC1 1265169528 GLLCEUWYQKAWOZ-AOYPEHQESA-N 432.564 4.913 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO[C@H]1C(C)C 1286571326 OLBPYJQSAMOWKR-UGKGYDQZSA-N 426.561 4.527 30 10 IJEE C=Cc1ccc(CCn2c(N3CCC(C=C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1286653587 LCTJWOQYAOOAAS-AREMUKBSSA-N 436.600 4.607 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1286657039 YZNOWOROVRNUGI-PXNSSMCTSA-N 429.996 4.991 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OC(F)(F)F)CC1 1286663100 GOEUHVAWYVSDAU-GOSISDBHSA-N 436.478 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286668849 VPPMHWINUVDKBW-KOSHJBKYSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCCCC2)CC1 1286674716 UPFSJFFZGQODML-UHFFFAOYSA-N 427.662 4.987 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1)c1ccccc1 1286677641 GTZUGBQLOVPIEP-GOTSBHOMSA-N 435.616 4.504 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(N3CCCC3=O)CC2)nnc1C(C)(C)C)c1ccccc1 1286681816 UJZMOJPGKSIFEA-OAQYLSRUSA-N 435.616 4.527 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286685582 XCFSATSQVJOYPR-RTWAWAEBSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(C)cc1C 1286744530 IQEDLCFFMHGONE-UHFFFAOYSA-N 449.624 4.628 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1ccc(Cl)s1 1286758551 QAXFEZSEERFRFN-IBGZPJMESA-N 442.972 4.927 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(F)(F)F 1286762795 MRRABMHHBFNFRQ-UHFFFAOYSA-N 447.461 4.538 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1286764315 LQMFEVISWJBHDA-UGKGYDQZSA-N 437.588 4.943 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCOC1)c1cccnc1 1287155111 AEKWAGKZSPQNQK-XUZZJYLKSA-N 444.583 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCC1CCC(OC)CC1 1300324489 GMQWCVMCPSBDEZ-MWXLCCTBSA-N 426.630 4.932 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCSC2)C1 1300352417 KSPOTJSKHUOKAX-NRFANRHFSA-N 445.430 4.845 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@H](C)[C@H]1C 1300742803 AHPGGHKQSYIKSW-GVDBMIGSSA-N 446.711 4.828 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 1301096811 GKKVTCVSLUCTNS-HXUWFJFHSA-N 439.560 4.681 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301147368 DXSLBTLMIMENRY-QFIPXVFZSA-N 440.636 4.504 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCC(C)C)C1 1301150898 DCTJUICDFHIPIM-SIKLNZKXSA-N 440.588 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1301159577 BYRKHATXMLWEKS-QFIPXVFZSA-N 447.539 4.502 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1CC 1301348913 CPULMGZCEKDOFP-VQTJNVASSA-N 439.579 4.672 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1301372260 VUDVIOVHCTUVPR-BHDDXSALSA-N 429.653 4.701 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1301621076 QDWYQHAVQCSYGB-SFHVURJKSA-N 432.659 4.802 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1303294514 LZCVGIWLHGJRCV-WGSAOQKQSA-N 430.548 4.612 30 10 IJEE CC(C)OCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](F)(C#N)C1 1303556085 HXZFWHTZLHFPHR-FQEVSTJZSA-N 433.940 4.680 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)[C@@H]1CCCc2ccccc21 1304067732 RNPXMWPKNUXHTR-GBXCKJPGSA-N 433.527 4.609 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CCC2CCCCC2)cc1Br 1309309019 HWGHFIJSFKYMPG-QGZVFWFLSA-N 425.392 4.834 30 10 IJEE C#CCN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCCc2ccccc21 1310217188 FFZFYWWKWOLZJK-RUZDIDTESA-N 433.621 4.823 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1cccc(Cl)c1)C1CCOCC1 1313043078 MGBMXEBSWJLGNU-NRFANRHFSA-N 430.907 4.841 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)c1 1350922536 CPUWQOXESCLDOM-UHFFFAOYSA-N 435.527 4.846 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CCCN1C(=O)OC(C)(C)C 1355679667 PHVQYLKCOGGIJA-HYBUGGRVSA-N 430.545 4.529 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccccc1 1358900102 BJVAXGGMMYVJBI-CEWLAPEOSA-N 426.630 4.588 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1358912382 POWQPKOHYYBXQR-RUZDIDTESA-N 449.643 4.672 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccc(F)cc2F)CC1 1359014734 UPEJPVURTFFTHU-WIYYLYMNSA-N 442.554 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCCC(C)(C)COC 1359068332 WWCCKEVFVWBOIX-AREMUKBSSA-N 431.584 4.938 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CC=C(C)CC1 1359080078 FMMXNGYGQIEWRL-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1C1CCC1 1359087322 AUTMRNLVYMETOL-IBGZPJMESA-N 447.377 4.543 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccoc1 1359091744 RIVXDIBHYQLDJH-LZNRXBQRSA-N 440.519 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1359108309 ISEBFLVSUFVDLW-PTLVVNQVSA-N 428.552 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1ccc(C)cc1 1359108635 WEQBVKQRYAGFOS-UHFFFAOYSA-N 444.377 4.826 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2nc(C)c(C)s2)CC1 1359169461 IUYFNBPPHCTBHB-UYAOXDASSA-N 429.634 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cccc(F)c2[C@H]1C 1359183693 RFMLDTQSKSZIEU-QGZVFWFLSA-N 448.546 4.791 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOCC2(CC2)C1 1359184163 FCRVMCUUDQUNQK-UHFFFAOYSA-N 432.515 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359185336 SQZPSNMLWAYNRB-HXUWFJFHSA-N 448.596 4.762 30 10 IJEE C=CCn1c(C2CCCC2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1359287344 XQRCMEUWZIYODW-KRWDZBQOSA-N 439.551 4.593 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCc2ccc(Br)cc2C1 1359340358 KPRJOPRCOUVSLB-UHFFFAOYSA-N 444.402 4.518 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(OCc2ccccc2F)CC1 1359342521 ZMIYOUUJARPWRG-UHFFFAOYSA-N 430.593 4.790 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccc(OC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1435632539 OCWCEXREIFMUCH-RUZDIDTESA-N 430.589 4.868 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCc3ccccc3C(C)(C)C2)nnc1-c1ccco1 1437578869 JCQTVTVERRILLT-UHFFFAOYSA-N 436.581 4.569 30 10 IJEE C[C@H](c1ccccc1)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccccn1 1438647746 DTOIAHMGAPDFPT-XLIONFOSSA-N 444.922 4.754 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 1441502524 VRTIEIDGYKULNR-CZUORRHYSA-N 445.785 4.532 30 10 IJEE CC#CCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1446921503 FHAYOLLJBSJPLJ-UHFFFAOYSA-N 428.923 4.943 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)nc2ccccc21 1458759637 PYROBNOAZHFISW-QHCPKHFHSA-N 437.565 4.599 30 10 IJEE CN(Cc1ccccc1OCc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1460619141 CAIPFZGWWDBJDU-VWLOTQADSA-N 425.532 4.765 30 10 IJEE CSCc1nc2ccccc2n1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1461064399 FUGABQRPRXOKEE-HNNXBMFYSA-N 446.498 4.859 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1464925062 COHMCWQKUJFSFV-UHFFFAOYSA-N 449.532 4.558 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCc2cccc(-c3ccccc3)c2)n1 1466152388 CIQNTPZHLOUEBK-UHFFFAOYSA-N 425.467 4.914 30 10 IJEE C#CCN(C(=O)NCC(C)(C)c1cccc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1468338629 NFAFJNQNKJYCHO-UHFFFAOYSA-N 448.007 4.662 30 10 IJEE C#C[C@@H](NC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)c1ccc(Cl)cc1F 1468497987 HXPQWLYMHVLSEY-GOSISDBHSA-N 437.943 4.680 30 10 IJEE C=CCC1(NC(=O)NCCc2ccc(OCCN3C[C@@H](C)[C@H](C)C3)cc2)CCCCC1 1469602771 WJJAUNJDGWZWOW-FGZHOGPDSA-N 427.633 4.774 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)[C@H]1CCCO1 1469868227 PCXJRGZAJFHJQW-PZJWPPBQSA-N 432.442 4.820 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H]3c3cc(F)cc(Br)c3)C2=O)cc1 1473363689 DBOCJATWZKEGLF-LEWJYISDSA-N 442.332 4.792 30 10 IJEE C#CCN(C(=O)NCCc1cccc(OCC(F)(F)F)c1)[C@H]1CCCc2ccccc21 1478505843 TVDWWJMVUHQDOU-QFIPXVFZSA-N 430.470 4.893 30 10 IJEE CCCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1500825531 ADEUPCIUBIDDMV-RTBURBONSA-N 437.588 4.559 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC2CCCC2)CC1 1507568961 VASOGNBQTQJHFG-UHFFFAOYSA-N 442.554 4.879 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOCC(F)F 1507609529 ZQNDARDWGYCTDC-UHFFFAOYSA-N 434.487 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC1(O)CCC1 1507663496 DJDKBPDZROGWSZ-UHFFFAOYSA-N 448.567 4.581 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1507680916 LOSNIUXVMRMZNR-GHTZIAJQSA-N 431.378 4.515 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)c1nccs1 1507746627 DVMOZZXGRYNFJJ-KRWDZBQOSA-N 448.621 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C(C)C 1507793689 FOCJXQZKVPGATB-GMAHTHKFSA-N 431.540 4.806 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CN(C)CCCC)CC1 1507822963 RKBVZOUKEZKYML-UHFFFAOYSA-N 447.631 4.860 30 10 IJEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(CCC)CCc1cccs1)c1ccccc1 1507847931 DUNSXOXPXXAFCL-UHFFFAOYSA-N 449.624 4.748 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCCC2)C1 1507942481 DEXXBNSDWJGLQV-FQEVSTJZSA-N 440.588 4.932 30 10 IJEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1507959284 AJKWTDFARYHBSQ-UHFFFAOYSA-N 440.979 4.600 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Br)cnc2C2CC2)cc1 1518643068 PPWQBRJVETUDKU-UHFFFAOYSA-N 440.341 4.788 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1529305987 PCGSXXORYDFPIO-UHFFFAOYSA-N 432.630 4.848 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1OC 1530155081 KAZRYJUOTYVVCF-NJDMILDMSA-N 431.536 4.992 30 10 IJEE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=NNc1ccc(-c2cccc(C(=O)O)c2)c(O)c1 1531855389 VQISBSGDYUCBJK-UHFFFAOYSA-N 442.475 4.565 30 10 IJEE COc1cc(Br)ccc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1532150147 BQRWXRPFQCRXGI-UHFFFAOYSA-N 427.323 4.988 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCCN1C(=O)OC(C)(C)C 1535282070 IERLDYYXKHDYRA-QFIPXVFZSA-N 438.490 4.936 30 10 IJEE CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1537067234 COEWVIJKCFGPRZ-AFMDSPMNSA-N 427.548 4.614 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)n1 1538918836 WGLJWHYUAXYJLE-UHFFFAOYSA-N 448.394 4.700 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCC)CCC1 1539241720 ITIHIQXUXGODMO-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCC[C@H]1OC 1539305264 VDPOPEAKTZXTDR-LEWJYISDSA-N 436.625 4.554 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](CC)C1 1539500275 WOKJMHJBBBGBHT-FQEVSTJZSA-N 428.671 4.941 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1539506529 KGVLVLPBPHSDPN-SFHVURJKSA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCOC1CCCCC1 1539566704 OHRUDAUWQPSWBX-AREMUKBSSA-N 436.600 4.897 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC)CC1 1539622934 IXSQFYSVZAWMHK-WMZHIEFXSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1cccs1 1539624160 QMUSBUWBVIXHPF-RBBKRZOGSA-N 433.581 4.886 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1539789943 BXZBICKJNVLAII-NRFANRHFSA-N 428.024 4.954 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CCC[C@H]2C)CC1 1539855882 LJHPBUAOZZFQEB-JOCHJYFZSA-N 437.632 4.930 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1539882643 SCRKWGCBGOQIJH-JOCHJYFZSA-N 437.632 4.724 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCC(C(F)(F)F)CC2)CC1 1539889004 XONQIPHVBAJRNZ-XBMUEBEBSA-N 426.527 4.943 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1539982815 RSDMMZMPIIXKAF-AZUAARDMSA-N 428.552 4.655 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1540051901 SSYFXODRBZYMHU-JSGCOSHPSA-N 446.315 4.962 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCc1ccccn1 1540127200 COZUMDSUOYKIJB-UHFFFAOYSA-N 440.576 4.632 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1Cc1ncccc1C 1540187140 LRJIPAOKGTZROE-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(F)c1 1541799216 AFZVILQJSJMROU-LBPRGKRZSA-N 434.338 4.695 30 10 IJEE C#CC[C@@H](COC)NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1543467019 ADWSBEGCSWLKSZ-HNNXBMFYSA-N 434.348 4.676 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2cc(F)ccc2n1CCOc1ccccc1 1559399376 FSNXJZQTUVAXSZ-UHFFFAOYSA-N 427.545 4.771 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCc4ncsc4C3)c2C#N)C1 1559761036 GWKNMXZHDTWKQE-CQSZACIVSA-N 428.627 4.614 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1OC 1560534317 WPUMHXNPZSDGMU-LJQANCHMSA-N 437.367 4.562 30 10 IJEE CC(C)(NS(=O)(=O)c1cccc(Br)c1C#N)c1cccc(C(F)(F)F)c1 1561579725 HLOLJDDDFXVNRU-UHFFFAOYSA-N 447.276 4.553 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)cc1C#N 1562845070 GQVWFCPHMWMOOI-QKKBWIMNSA-N 435.484 4.532 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCCCc1ccc(Br)cc1OC 1564422057 AZLPKKVAMCCXHS-UHFFFAOYSA-N 431.374 4.831 30 10 IJEE C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN1CCOCC1 1565535456 NEHOOTOVVLNUDJ-KUSCKROYSA-N 429.601 4.996 30 10 IJEE C=CCC[C@H](NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)C(=O)OCC 1569184237 MFAHBSLJBJKXLX-FQEVSTJZSA-N 440.565 4.507 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1 1583539300 QYPFTSXVVMZUMA-OBDYRVMHSA-N 440.518 4.796 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cc(Cl)ccc1Cl 1585531342 GWUXDTBYVWJGSA-DGCLKSJQSA-N 436.726 4.749 30 10 IJEE Cc1ccc(COc2c(C)cc(CN(C)C(=O)CNc3ccc(C#N)cn3)cc2C)cc1 1586039553 CINITCQYTNZPTO-UHFFFAOYSA-N 428.536 4.528 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1586720154 LSLAFZQEOKHRKK-UHFFFAOYSA-N 437.459 4.748 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1587705472 DXZAREZCSGTDGN-VQTJNVASSA-N 440.588 4.624 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1587706713 SPBGPQHXKYDOJJ-LJQANCHMSA-N 442.007 4.601 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)cc1OC 1587965320 YTEWBNPFZDUSAL-BENRWUELSA-N 440.565 4.674 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)F)C1 1589026607 HXUBTZUZBCFKGC-CYBMUJFWSA-N 428.911 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N(C)C)nc1 1589177168 FBQPMZGWTIYMLR-HHHXNRCGSA-N 442.611 4.744 30 10 IJEE C=C(Br)Cn1c(N(CCCc2ccccc2)CCOC)nnc1C(C)(C)C 1589459711 CHSAGCRPYZBHKN-UHFFFAOYSA-N 435.410 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)cs1 1589504639 IQCBIMTZAOPHSJ-IFMALSPDSA-N 433.581 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(=O)N(C)C 1589615100 KARYUCMFWDULMN-UHFFFAOYSA-N 441.576 4.693 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1593712272 XAWGYYGTAJSWCD-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C)COC)CC1 1594065133 ZJWIHUNSASEAEY-CQSZACIVSA-N 439.785 4.800 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CC1(c2ccccn2)CCC1 1595009173 BIEPNNIVRMWHND-UHFFFAOYSA-N 435.597 4.718 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1Cc1cn2ccc(C)cc2n1 1595100668 RXQYLBPNIFPTKE-UHFFFAOYSA-N 439.567 4.545 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C1CC1 1595165486 ILAAGZSYKPZUPJ-REHUZNOOSA-N 444.645 4.612 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)Cc2cccs2)cc1 1595639945 OXZICICPJJZBED-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=C[C@H](C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1 1595702417 KIBRRCAGWJPDFG-MHZLTWQESA-N 425.576 4.595 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1595866647 SHATXRUIGLWXGR-UHFFFAOYSA-N 449.624 4.895 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1596613125 OSUASHCTDXSQDV-FQEVSTJZSA-N 432.561 4.730 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2CCOC2CCCCCC2)C1 1611766710 AXKNEZPQVWRADK-DEOSSOPVSA-N 425.552 4.954 30 10 IJEE CCO[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1616108898 GGUADZQYQDXGIA-MZKRTTBSSA-N 439.604 4.662 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(Cl)cc1OC 1621740725 XGCUZBGULABUEH-UHFFFAOYSA-N 448.741 4.627 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC(CC)(CC)C(=O)OCC 1625543321 ZHECYUCLRJTSEM-UHFFFAOYSA-N 427.339 4.505 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(OCC)c(OCC)cc2C1 1631784496 KXTICQVCHIMWHJ-HXUWFJFHSA-N 446.588 4.618 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1635227086 VTGPAFTYXCKTHC-ZBFHGGJFSA-N 438.362 4.592 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1OC 1636145711 YEKJBMPRTWQLJA-LHUXKHBRSA-N 435.442 4.532 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 1636373883 YGRFLTRCYUHXSC-UHFFFAOYSA-N 439.556 4.931 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Cc2cccc(OC)c2)CC1)c1ccc(Br)cc1 1636562764 OLRMWSHUSJSTDZ-JOCHJYFZSA-N 441.369 4.796 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H]3c3ccc(Br)c(F)c3)C2=O)cc1 1642905528 BNGJZGWDTJUSBY-NHCUHLMSSA-N 442.332 4.792 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C 1646181462 FVVMMAGHMYIBTH-QAPCUYQASA-N 438.490 4.505 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@@](N)(c3cccc(F)c3)C(F)(F)F)cc2)c1 1648522098 CBWZZPXENDTOEB-QFIPXVFZSA-N 443.400 4.631 30 10 IJEE C=C(C)COc1cc(CNCCOc2ncc(C(F)(F)F)cc2Cl)ccc1OC 1650374571 JVRQDVUHYYBEMK-UHFFFAOYSA-N 430.854 4.886 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2Cl)nnc1-c1ccccc1OC 1651596459 BMXPZKPWFNKCFT-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1652322367 WKNBILORFQUGAH-JOCHJYFZSA-N 432.486 4.893 30 10 IJEE Cc1ccc(CN(Cc2ccco2)C[C@H](O)c2ccc(C#N)cc2)c(Br)c1 1654268427 GMFPTAVJHYJIKX-QFIPXVFZSA-N 425.326 4.958 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@H]1O 1654431486 UNPOQSODPMFDCR-DHIUTWEWSA-N 440.588 4.699 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC(CC)CC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1655970449 VBFPYCAZODWZMT-ZIAGYGMSSA-N 433.643 4.554 30 10 IJEE C#CCN(Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12)[C@@H]1CCCc2ccccc21 1660323484 FTHRYHCWWGJMJW-HSZRJFAPSA-N 430.504 4.874 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 1662577026 HCODVUOHQUXPGF-QFIPXVFZSA-N 444.373 4.800 30 10 IJEE C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Nc1ccc(Br)c(C#N)n1 1663862428 FENZEGAALDFJLL-CYBMUJFWSA-N 431.334 4.602 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(F)c(F)cc1I 1667499794 FLTJHKTWAGUNNI-ZDUSSCGKSA-N 442.247 4.878 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 1667563012 IYZWOHJXRGLRHK-UHFFFAOYSA-N 434.467 4.747 30 10 IJEE COc1cc(C#N)ccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 1669952769 BESVGYVKRVPFAD-UHFFFAOYSA-N 437.503 4.800 30 10 IJEE COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1671797613 HMBFUWORONPPHN-JOCHJYFZSA-N 445.567 4.763 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cn1 1672592771 FBKVEDUSCBMNHS-UHFFFAOYSA-N 425.304 4.701 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 1677638856 JXOVKODNODZRRC-NRFANRHFSA-N 441.369 4.672 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1)c1ccc(Cl)cc1F 1678592852 QEACNTXWUGKROZ-FQEVSTJZSA-N 443.906 4.752 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1)c1ccc(Cl)cc1F 1680396613 IYLMQEAQBANFSP-GHTZIAJQSA-N 430.907 4.519 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1682368377 ZRJLMGISUXJESO-LPHOPBHVSA-N 437.943 4.584 30 10 IJEE C#C[C@H](NC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1)c1ccc(Cl)cc1F 1683517083 POFQPCQYXWCBKL-INIZCTEOSA-N 427.690 4.933 30 10 IJEE C#C[C@H](CCC)NC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 1683680872 IKRACXUYUIXFLD-NHCUHLMSSA-N 443.547 4.762 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nccs2)C1 1689876804 IZDAYPXXOZLHHT-RTWAWAEBSA-N 435.597 4.658 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N(C)Cc1ccc(Br)o1 1689894889 AZTVCSHTTHWZJL-UHFFFAOYSA-N 441.373 4.973 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cccs1 1689916263 DYVBECUHHQPWDP-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(Cl)ccc1OC 1689950889 FQYCGRGFCIJTMB-OAHLLOKOSA-N 441.000 4.911 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)c(OC)c1 1690063963 VZUAQOLPJMIBAU-QGZVFWFLSA-N 434.609 4.956 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1nc2c(s1)C[C@H](C)CC2 1690088825 XRNZBXDYOLGGNL-QGZVFWFLSA-N 437.588 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1nccs1 1690193693 PLECYYLKZUDUSQ-KSFYIVLOSA-N 441.988 4.763 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1OC 1690196778 XPFHONSCUKUTDV-ZWCUEREDSA-N 443.389 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(COC(C)(C)C)c1 1690265615 QZCHOXWLXADSDJ-JOCHJYFZSA-N 426.605 4.938 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2cccc(C)c2)CC1 1690414559 BGEUWUIHYFNPRY-LJQANCHMSA-N 449.624 4.784 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccco1 1690437981 VYHYQJYDTOAZEF-KRWDZBQOSA-N 439.585 4.806 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1690457043 PRPAEHYUHJMMLL-HXUWFJFHSA-N 448.615 4.550 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(C)(C)O)c1)C1CC1 1690553934 NGLJKELVKAEDFO-FGZHOGPDSA-N 438.616 4.627 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=C)Cl)C1 1690711953 LDLQKQCHEFKXHL-HXUWFJFHSA-N 430.980 4.688 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1CCc1ccccn1 1692343425 GHIHAQYLXCYLTM-UHFFFAOYSA-N 439.567 4.897 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1697190767 BRQRDRVDPASYDY-QFIPXVFZSA-N 437.588 4.560 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 1705524852 TXZRIDVJMJZWGB-OALUTQOASA-N 430.980 4.574 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705536247 KTIHGHHOUDDCAH-IBGZPJMESA-N 425.627 4.801 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Cc1cccs1 1705602777 CCWDMSUJGXPWDU-CEMLEFRQSA-N 438.641 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(SC)CC1 1705668115 FCPUZNKIIUXFEZ-HRAATJIYSA-N 431.005 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(C)C)C1 1705705258 FQFHJKDQNMVPTI-RQTOMXEWSA-N 438.616 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CCN(CC)CC1 1705720976 UBGYLIYRPWVIMW-FGZHOGPDSA-N 431.669 4.721 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)C(C)C)CC1 1705765533 QEJBAVRTMWVBAC-OAQYLSRUSA-N 433.394 4.579 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1705779090 UXMZMQVVOFWMLN-UHFFFAOYSA-N 447.583 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(C)=C(Br)C1 1705793136 NMTOXYXBXGORGV-UHFFFAOYSA-N 430.394 4.745 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705822803 RBOGPFSZPLNEFI-LEWJYISDSA-N 438.616 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](SC)C(C)(C)C 1722304328 YKKKKQNGXKTJNJ-QFBILLFUSA-N 432.659 4.815 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCSC[C@@H]1C 1722454507 MGEYMSXZFVRDQT-INIZCTEOSA-N 432.684 4.584 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722457140 RIOYFCNAIBZPPW-HXUWFJFHSA-N 438.622 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCOCC 1722493252 IRNNDOREWHRBRD-IRLDBZIGSA-N 426.605 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)C1CCCCC1 1722510546 SKLVEDQEXXIKHR-GCJKJVERSA-N 429.634 4.774 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1722537391 NOZKZAKVONMNEG-IERDGZPVSA-N 432.515 4.514 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722548247 XWPGLJRWGGLQAM-CRAIPNDOSA-N 427.763 4.726 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2ccnn2C)CC1 1722556488 BLGKBCPXLKRRNX-UHFFFAOYSA-N 443.020 4.749 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1722574587 NQYATIQZCRKDSV-KRWDZBQOSA-N 428.577 4.658 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc2c1OCCCO2 1722595856 WGZAJXKTCGAOCV-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCOC(C)(C)C)c1ccccc1 1722596595 LFFVJSCDTQUZJT-FGZHOGPDSA-N 426.605 4.783 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1F 1722741961 CFIRLGCCFRSUIL-HNNXBMFYSA-N 431.606 4.890 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(N2CCCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1727713278 HQPWDDAEWDHAND-RBBKRZOGSA-N 434.632 4.990 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1C(C)C 1740754275 DGYQWIKCEDOHRK-MZKRTTBSSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1740757108 SMVYSHALPYLMMD-OSZJIOELSA-N 426.630 4.819 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C)COC1 1740769606 OVOSVDIHPGIFHH-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)nc(N2CCCC2)c1 1740770847 INUKAEZGGOAJJB-UHFFFAOYSA-N 441.583 4.571 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740778892 GJANTNPMJJQOKJ-KRWDZBQOSA-N 430.478 4.632 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1740779812 BXYLJOFEZFRANL-UHFFFAOYSA-N 436.629 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740845653 WVUOINJKTJLAGO-LJQANCHMSA-N 449.599 4.987 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C(=O)NCCC)CC2)nnc1C(C)(C)C)c1ccccc1 1740855911 PLMNLLHPUJIWQB-QFIPXVFZSA-N 437.632 4.678 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1740866994 UNYBLQKGTJVEIA-UHFFFAOYSA-N 429.584 4.663 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1740874863 JQIRRUUJBQNBSM-NRFANRHFSA-N 433.556 4.973 30 10 IJEE C=CCCCn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740881647 NDVQDHRBTDONTE-QRVBRYPASA-N 431.625 4.887 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCC1CCC(OC)CC1 1740918594 MLSCRJUADSNPLA-UHFFFAOYSA-N 432.572 4.523 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1coc(-c2ccccc2)n1 1741805756 FCIGZYOZKSQGMB-DUXKGJEZSA-N 448.571 4.638 30 10 IJEE C[C@H]1CCC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)C1 1743029520 HXXCVJFBWNKZJV-PZJWPPBQSA-N 437.588 4.560 30 10 IJEE CCc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)CC#N)s1 1744359634 FXVXZZXFINPVRV-KRWDZBQOSA-N 436.585 4.558 30 10 IJEE CCc1cnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)s1 1744408831 AUUORQLTKLNNRL-UHFFFAOYSA-N 432.553 4.616 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOCC)CC1 1748655910 IEAMWPMJPXHPKZ-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748727406 RESQIVDCFGNZPV-AQNXPRMDSA-N 443.636 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H](O)C1 1749147486 JVUNCEPIUVOSSG-LPHOPBHVSA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCCO2)CC1 1749331591 QELACGBOVCHIFP-HNNXBMFYSA-N 437.407 4.741 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OCCCC)CC1 1749336366 ZCDVJRLFSNABMJ-UHFFFAOYSA-N 442.567 4.841 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C(C)(C)C)CC1 1749406646 LDWJSFCJFUKUMV-UHFFFAOYSA-N 427.618 4.809 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1Cc1ccc(OC(F)F)c(F)c1)C1CC1 1749525906 XYRFKZBOTJHGIB-UHFFFAOYSA-N 434.487 4.874 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(COc2ccc(Cl)cc2)n1CC(F)(F)F 1749590241 USUKZZUCKFCPAC-UHFFFAOYSA-N 440.853 4.901 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H]2CCO[C@H](C)C2)C1 1749700609 LRIJTTBJNSBZLN-ZHALLVOQSA-N 448.970 4.724 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1750737297 ALGUSALQOKWNIP-RUZDIDTESA-N 448.546 4.981 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCc1nc(C(F)(F)F)cs1 1760103762 LRODPEIVKGMFFO-ZDUSSCGKSA-N 445.470 4.867 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760150953 PGNJCYDRLZMELA-OAHLLOKOSA-N 426.870 4.560 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CCOCC)CCCC1 1760170638 KHWZXCNODAUSQU-UHFFFAOYSA-N 433.556 4.657 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCOCCOC 1760291113 BNZHUMJHRJJLJU-AREMUKBSSA-N 438.616 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)C[C@H]1CC=CCC1 1760324874 NQVFFKYNJXYKTG-SKPFHBQLSA-N 440.563 4.770 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760347833 BCGSKJDHFNIWKO-OAQYLSRUSA-N 441.595 4.665 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1760348848 OCVCRFWWUBROER-YLPWQGQNSA-N 444.645 4.708 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCCC2(C)C)CC1 1760396702 IEUQVYXRRFWNMG-CJAUYULYSA-N 442.579 4.901 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 1760397366 RLUZSUJUYMENCW-NRFANRHFSA-N 433.604 4.617 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCOc1ccc(OC)cc1 1760484330 VTZVVJAWZRKNAC-UHFFFAOYSA-N 426.586 4.917 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(CCC)C1 1760490615 CLQCFNVAXOKGKZ-SFHVURJKSA-N 444.421 4.618 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)s1 1761772638 AYGOVGUSFYCLMZ-RTBURBONSA-N 448.640 4.944 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCC(C)(C)C 1762658188 HJQOLODYJCIBHQ-UHFFFAOYSA-N 436.560 4.796 30 10 IJEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCCC2)CCC1 1769753944 IFODYXDDTAFUJO-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE COc1ccccc1[C@@H](Cn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)OC(C)C 1770384716 FSDXYWDFMKTEJZ-HSZRJFAPSA-N 437.588 4.851 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N(CC)c2cccc(C)c2)c(=O)cc1C(=O)O 1857891573 XOOCJYQSDWMDIB-UHFFFAOYSA-N 442.556 4.647 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862396268 GLMTWPMPJZGFBW-QFIPXVFZSA-N 435.520 4.804 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(CC)cc1 1862413780 KUTHJWBCXJRNLU-NRFANRHFSA-N 429.463 4.532 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446496 UIASUVMDQUUKNP-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C(C)C)cc1 1862468423 PBLRGGUMRKEEPT-LJQANCHMSA-N 428.326 4.998 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1C 1862489780 GQXUQCTWJPRUDV-DEOSSOPVSA-N 434.580 4.922 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862502649 GICTXOYZFKQZMG-YLJYHZDGSA-N 429.875 4.545 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc3ccccc23)c1 1862560804 JHYFAMJBUFLFMN-DEOSSOPVSA-N 435.483 4.596 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(F)(F)F)cc2)c1 1862562792 OCVWMTBYURLMJA-IBGZPJMESA-N 442.393 4.659 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862577990 BVLWJDJEYKNVSC-IBGZPJMESA-N 448.302 4.775 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1cccc(F)c1)c1cccc(O)c1 1862590541 KWGZJTAFNRUHMK-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1F 1862607724 VZXVZYBZWCNAAL-NRFANRHFSA-N 443.446 4.505 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862623998 YFYIGMBFQRSQJQ-IBGZPJMESA-N 447.453 4.574 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCO2 1862626075 TUSMTHNOSWFPAA-QFIPXVFZSA-N 437.467 4.856 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2)cc1 1862626179 XBGUMXDKGUPDAY-QHCPKHFHSA-N 427.456 4.502 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862674037 RLNWPEHAJOBFGP-HXUWFJFHSA-N 425.456 4.847 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862682618 BSAZCUMSMNDOBC-OAQYLSRUSA-N 427.472 4.608 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862684530 YRCVWRGHZGNCIH-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 1862716030 WQNFLNBZNPJYEB-HSZRJFAPSA-N 432.495 4.509 30 10 IJEE COc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 1862927249 OBNZUUHCZHSVSM-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1c[nH]c2ccccc12 1864548603 QZMAPZCTCAXVAL-QFIPXVFZSA-N 449.599 4.864 30 10 IJEE CCCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nccn1C 1870232960 QRCZAFVXIBHRBO-UHFFFAOYSA-N 436.581 4.905 30 10 IJEE C=CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870386888 IMBDKJNYSTVEME-MVERNJQCSA-N 449.639 4.728 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(OCC)cc2)cc1=O 1871006460 HOUJSOLXANKYBR-UHFFFAOYSA-N 441.531 4.595 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC[C@H]3CCCO3)cc(C)c2C1=O 1871449908 CIKXBBWSGSXPLX-HSGPEQJXSA-N 445.309 4.940 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(OC)cc3)ccc2C1=O 1871457002 JEPFVIGBPRQGJV-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1871960077 XICUXHUYFSNDAY-RDTXWAMCSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872313939 ODJPRMFZFLVCFB-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1cccs1 1872422677 IAEJGSHCNGKJAN-LJQANCHMSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872517472 RHWMUMARRBQVQB-HNNXBMFYSA-N 441.380 4.814 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872761298 KHVPNAJLDBZOOO-LJQANCHMSA-N 448.460 4.995 30 10 IJEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCc3nc4ccccc4[nH]c3=O)n2)c(C)c1 1872786031 CAJBDRBFIWCQOA-QGZVFWFLSA-N 442.544 4.781 30 10 IJEE Cn1ncc(N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1=O 1873526213 SOTIGYGNLOBZFE-NUGSKGIGSA-N 437.714 4.766 30 10 IJEE CCCCCCCCCCNC(=O)CCC(=O)Nc1nc(C)c(C(=O)OCC)s1 1873936981 VHZNVPIIHFENIL-UHFFFAOYSA-N 425.595 4.604 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(O)c(OC)c1 1874256019 LCZQTJXQJFILKS-ZMOGYAJESA-N 438.553 4.657 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccn2C)cc1 1874303461 ZXIJVQPTAIBYGE-LGUFXXKBSA-N 445.592 4.823 30 10 IJEE CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cc(Br)ccc1O 1874329623 WZDXXGRYUGEHKC-WSDLNYQXSA-N 445.386 4.752 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874389987 OVVZSTCLWBZYAK-MFKUBSTISA-N 436.581 4.622 30 10 IJEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874397836 LKNVFFJBFKYWFR-AEIQVQRHSA-N 447.564 4.839 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cccc(Cl)c2)cc1 1874444720 JDLUQCPDPQRCGZ-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)OC)cc1 1874507501 GOTXYLKUVXQMAX-YDZHTSKRSA-N 428.945 4.845 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2ccccc2)nnc1C(C)C 1874513121 INTDQPIHVMSFTD-YDZHTSKRSA-N 426.542 4.602 30 10 IJEE Cc1cccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c1C 1874596787 CUBIMOWLEWYPDY-PKNBQFBNSA-N 443.499 4.988 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc(OC)c1OCC(N)=O 1874627581 VMSURGSPVCAUTM-MDZDMXLPSA-N 437.536 4.624 30 10 IJEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OC 1874698256 NWHMQZIDKPZUOF-JXMROGBWSA-N 448.269 4.968 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)c1ccccc1 1874717504 YTCJMVAAPWHIJK-JLHYYAGUSA-N 448.471 4.836 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)COC)c(OCC)c2)cc1 1875138481 PUKDVXODTNEPEA-IZZDOVSWSA-N 432.900 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]2C[C@H]21 2008450002 WWHHHJZJCDAXTO-OMXJDXKCSA-N 431.508 4.859 30 10 IJEE C=C1CC(C[C@H](CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)NC)C1 2011045088 BDLHAZVHKDOKJN-HSZRJFAPSA-N 427.633 4.880 30 10 IJEE Cc1c(C(=O)C=Cc2cc(Cl)c3c(c2)OCO3)cnn1-c1ccc(C(F)(F)F)cn1 2040500924 RBYIYGTWYGWBCU-UHFFFAOYSA-N 435.789 4.873 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NC 2041202244 FJOSGAWCXNBCCF-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Cl)cc2Br)NC)C1 2077087963 OFNPZTGINHBGTN-INIZCTEOSA-N 429.786 4.847 30 10 IJEE N#Cc1c(C2CCCCC2)nn2c(N)cc(-c3cc(F)c(F)cc3Br)nc12 2081223214 VOWRLEVWGXVYGA-UHFFFAOYSA-N 432.272 4.939 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 2102882844 RTFSXXSVACPIBO-DLBZAZTESA-N 443.813 4.930 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)c1cc(Br)c(C#N)cc1F 2118151746 UDYTVHKNONYRMO-MLGOLLRUSA-N 426.330 4.542 30 10 IJEE Cc1cc(C#N)c(NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)nc1C 2130840492 TVUTWJCSUGHCLD-UHFFFAOYSA-N 449.599 4.542 30 10 IJEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1cc(Br)c(C#N)cc1F 2174813553 XSHWXDZWOSWSIV-WBMJQRKESA-N 440.357 4.978 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1Br)c1ccccc1 2181136508 VZTRXWDZODWAED-KRWDZBQOSA-N 430.302 4.525 30 10 IJEE CCC[C@@]1(C(=O)Nc2ccc(C#N)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2181136652 WNCBLQWZSVDEFH-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1Br)c1ccccc1 2181142403 VZTRXWDZODWAED-KRWDZBQOSA-N 430.302 4.525 30 10 IJEE N#C[C@@H](C(=O)c1cccc(I)c1)c1ccc(F)cc1Br 2185185739 FKZISOJLIZCHPE-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@]34CCC[C@@H]3CCN4Cc3ccccc3)cc2)OC1(C)C 2197366032 YUIPFPHGXFOSMM-UFHPHHKVSA-N 446.444 4.520 30 10 IJEE CCC#C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2213317543 YPYNMSSGGWPMHV-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1cc(Br)ccc1C#N 2226201912 OYCVNOSJSXSBFA-CQSZACIVSA-N 430.293 4.767 30 10 IJEE Cc1cc(C#N)ccc1CNc1ccc(Br)cc1I 2231674452 OJBNNASRMDZUKR-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@@H](C)N1C(=O)OC(C)(C)C 2235735635 ZWCSVFMAQUTOAG-AHRSYUTCSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)NC1(c2cccc(NC(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)c2)CC1 2267581250 OYUKUNWBZLMLHM-MSOLQXFVSA-N 442.365 4.621 30 10 IJEE CN[C@@H](C#CC1CCCCC1)c1ccc(I)c(Br)c1 2274072174 MUSGRDYIUKVPFO-INIZCTEOSA-N 432.143 4.898 30 10 IJEE C[C@H](c1cscc1Br)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284358738 KJRPWAYMWSIJKI-LLVKDONJSA-N 441.175 4.541 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2296223117 ZBHRZXRLUPYOJQ-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(CCF)CCCN1C(=O)OC(C)(C)C 2296228036 VIOJXXYYBCCONH-NQIIRXRSSA-N 439.369 4.518 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)C#Cc1cccc(Br)c1)c1ccccc1 2296229991 OTHDGTYDVPYWTB-LJQANCHMSA-N 428.326 4.678 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](O)(C#Cc2cccc(Br)c2)C[C@@H]1C1CCC1 2296231378 CQTFQGFXIFETCJ-KNQAVFIVSA-N 434.374 4.731 30 10 IJEE C[C@H](C[C@@H](O)C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296281789 OICDVEUYWCKCPG-KPFFTGBYSA-N 436.390 4.835 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F 2296305996 ATVQUWVYAIDMPC-JXFKEZNVSA-N 445.348 4.575 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@H](N)C#Cc1ccc(Br)cc1 2296308712 LSSSTLHEQMWTSN-MRXNPFEDSA-N 431.330 4.856 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2298496747 NKEJKCKJJKBVBB-KZDUYQQSSA-N 447.498 4.761 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1OC 2321940445 ADUFASBXVIBADZ-UHFFFAOYSA-N 443.499 4.715 30 10 IJEE CCn1cc(C=C2Oc3c(ccc4c3CN(CCCCN(C)C)CO4)C2=O)c2ccccc21 2322122709 ZTVMBYJESQOMGF-UHFFFAOYSA-N 445.563 4.771 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 2322415635 SNJJSMYSQBSWAN-UHFFFAOYSA-N 441.462 4.979 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1 2325427049 ITQAOGANQGYPAE-INIZCTEOSA-N 431.444 4.813 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722084 GPRNAGMOWLSOTL-UHFFFAOYSA-N 432.388 4.547 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2N=Cc2sccc2C)ccc1Cl 2326546588 UYBBMIHZMRYVHK-UHFFFAOYSA-N 436.990 4.546 30 10 IJEE CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1c(F)cccc1Cl 2327457983 JYSUOCBPRNHNOH-UHFFFAOYSA-N 426.851 4.922 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccccn1 2328691520 LQFDHTPYFQCSCK-UHFFFAOYSA-N 429.549 4.641 30 10 IJEE CCOc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCCCO)cc1OCC 2330284643 CJMZKZDSDUQFLY-UHFFFAOYSA-N 446.617 4.555 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(C)c2)o1 2330482140 NYVMIFPOHAXHRI-UHFFFAOYSA-N 446.532 4.731 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)[C@H]1CCCO1 2331007017 ZTVUAYVDXDDFGS-HXUWFJFHSA-N 445.309 4.828 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(O)cc1 2331335807 OOVLTJDFWRRLIA-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(C(F)(F)F)cc1 2331469884 GWPDSXQYRGFHPG-UHFFFAOYSA-N 442.507 4.669 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nnc(SCC=Cc2ccccc2)s1 2331685029 VABRKCVVQBCFPS-UHFFFAOYSA-N 439.562 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2339541742 RDCXINPGSXLPSA-JEAMOKKESA-N 441.381 4.538 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339592638 SQJBRPLRFXVWJY-ZOBSEURRSA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)C#Cc3ccccc3Br)C[C@@H]21 2358671958 PVYRYBVOFGBIEQ-QKZPVBNUSA-N 430.342 4.548 30 10 IJEE CC1(C)OB(c2ccc(COc3c(F)cccc3Br)c(F)c2)OC1(C)C 2369071337 ZYWAJBJOAMRADC-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=CCCC(C)(C)N[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376315218 SUTZWCOAWOHQRS-CQSZACIVSA-N 425.186 4.907 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)C2CC2)nc2scc(-c3ccc(C)cc3)c2c1=O 18349468 WWDQVUAQIHLBCX-OAHLLOKOSA-N 439.606 4.626 30 10 IJEE CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)cc1 20595545 XNCQHHNTLMKXOC-KHUIZHDGSA-N 425.554 4.682 30 10 IJEE O=C1CCCC2=C1[C@H](c1ccco1)N(S(=O)(=O)c1ccc(F)cc1)c1ccccc1N2 21356308 QVAJRSGFFPBBCM-QHCPKHFHSA-N 438.480 4.788 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nccn1-c1cccc(C)c1C 25401792 HSPYIPHWMYOQPL-IBGZPJMESA-N 434.565 4.925 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccccc3Cl)n2)cc1 33790507 GUPDHMYFKULFSX-LPYMAVHISA-N 449.001 4.940 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCOC)c1 35488027 SXRNOPJWZYCCRE-QHCPKHFHSA-N 433.504 4.556 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)C(=O)CC 36040838 SBZYIMYKVUTAIV-UHFFFAOYSA-N 446.551 4.528 30 10 IJEE CCCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(C)cc2)c1O 38624429 BNOVUGXPMKZNSM-UHFFFAOYSA-N 430.504 4.501 30 10 IJEE C/C(=C1/S/C(=N/c2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 39866476 YPDHYMJNKJYEIL-WIQPNEMMSA-N 437.506 4.953 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)ccc1Cl 40522888 LCCKXZLGFYJRIO-HNNXBMFYSA-N 428.916 4.851 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 63340838 WHTBVIZUJYEGCO-UHFFFAOYSA-N 442.475 4.650 30 10 IJEE COc1ccc(N/C(=N\C(=O)c2ccc(OC)cc2)NCCc2c[nH]c3ccccc23)cc1 85581311 BXODZJRYXFUZRC-UHFFFAOYSA-N 442.519 4.626 30 10 IJEE biogenic CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(C#N)cc2)c1C 85711081 KUTFUACQSKQKDS-UHFFFAOYSA-N 429.520 4.831 30 10 IJEE COc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 97447341 QSGAXGVGIZOIFV-ATVLDSSTSA-N 441.483 4.886 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1cccc(OC)c1 100196282 KLDQRESSXIUNKO-YQMDHOPXSA-N 431.945 4.637 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922891 VBUPNYQIOZYKGJ-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1cccc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)c1OCc1cccc(Cl)c1 169936664 YYSUKVPZVXWWIZ-OAQYLSRUSA-N 442.968 4.796 30 10 IJEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3cccc(OC)c3)cs2)cc1[N+](=O)[O-] 169940950 XVPVAFZFOLQTRF-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968014 FVHOIXUAWPBSLZ-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccs2)cc1 169982181 FNBFAKFPMBUYEN-FQEVSTJZSA-N 449.488 4.505 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)ccc1F 170050058 LZNNUBMLLRLUJJ-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103268 VWFRJGBBKXUPJK-HXUWFJFHSA-N 431.423 4.695 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 170113549 ITPJUJTZNXRNLL-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)cc1C 170145187 AESGKXKWUWWNKW-XMMPIXPASA-N 442.515 4.794 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2ccccn2)cc1 170170943 ZLPLERUEDFWFRH-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccn1 170175718 IUGUWRYVMIIDQD-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccnc2)cc1 170184515 ZWSZEIHGFJWTOK-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)c1 170205808 UZTCRYJPHCYYNV-QHCPKHFHSA-N 439.471 4.523 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(O)c2)c1 170256722 LBCNHYQPFJBIOZ-NRFANRHFSA-N 435.501 4.631 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1 170261698 WRLVQRAUBUEAMG-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccc(O)c1 170263307 DHFKAJIBTIVDIZ-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(O)c2)c1 170264196 LACIIZOLDJADID-NRFANRHFSA-N 441.911 4.965 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1C 170271982 ZDVXVCCYNITCBK-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)c(OC)cc1Cl 170293176 SJAXWUAXDBSGPQ-HXUWFJFHSA-N 445.899 4.861 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)cc1OC 170300322 TYLLIHSAGORACT-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC)c(O)c1 170322556 FUZDRXRZIJQYLR-NRFANRHFSA-N 427.472 4.617 30 10 IJEE CCOC(=O)c1sc(NN=Cc2ccc(OCc3ccccc3C)c(OC)c2)nc1C 254459062 XZGDKBWAESLCHL-UHFFFAOYSA-N 439.537 4.970 30 10 IJEE N#Cc1ccc(Br)cc1Oc1ccc([N+](=O)[O-])cc1I 308071297 BZGWRYHSULSOMR-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE N#CCOc1ccc(CNc2cc(I)ccc2Br)cc1 380073351 YMXDAFTVKLDQJY-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1csc(Br)c1 404922590 WSRYDYMKPIPJKX-UHFFFAOYSA-N 436.180 4.625 30 10 IJEE CC(C)Oc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1C#N 427047093 ZGTSSLMJIGVQDO-UHFFFAOYSA-N 441.557 4.602 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2[nH]c3ccccc3c2C1 460538352 IFBNOQDJHKRPBJ-UHFFFAOYSA-N 429.524 4.582 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@H]1CCOC1 461526979 VCCCZVDWMMXGBN-VJTSUQJLSA-N 444.579 4.752 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCCNC(=O)c1cccc(Br)c1 475566270 SRFCURVVRVUDFP-UHFFFAOYSA-N 444.373 4.853 30 10 IJEE Cc1c(C(F)(F)F)nn(C)c1NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 480209208 YLNJPJAOAOSUDV-MRXNPFEDSA-N 438.347 4.869 30 10 IJEE CC(C)(C#N)c1ccccc1CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 502341778 VMDKSCJZZZZPKL-NRFANRHFSA-N 427.552 4.843 30 10 IJEE C=CCn1c(N2C[C@@H](C)O[C@H](c3ccccc3)C2)nnc1C(F)(F)Oc1ccccc1 508998688 NYEYYQTYCIHQQP-XLIONFOSSA-N 426.467 4.559 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC)c(O)c2)cc1 526514230 DJHZESHINKSEQO-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(C(F)(F)F)cc1 546922842 CKLCHLMDUDMEIH-FQEVSTJZSA-N 443.473 4.511 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 549680309 FNDZMOATWKGPET-UHFFFAOYSA-N 449.624 4.522 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)NCc3ccc(C)cc3)CC2)c1 586097521 KRWGLLNPIXTNFJ-UHFFFAOYSA-N 448.611 4.937 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@@H]1C 916564546 ARAUSMXSUHUASL-DZGCQCFKSA-N 448.972 4.842 30 10 IJEE C=CCN1C(=O)/C(=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 1084523993 HOYAVLPKJNCADN-ZCXUNETKSA-N 426.950 4.957 30 10 IJEE CCO[C@H]1C[C@]2(c3ccccc3)C(=C(c3ccccc3)O1)C(=O)C(=O)N2c1ccccc1 1088741880 UARGELSDXPOUED-AMGIVPHBSA-N 425.484 4.692 30 10 IJEE Cc1sc(NC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c(C#N)c1C 1124142687 DQYTZSHXQUUALK-UHFFFAOYSA-N 430.530 4.591 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)cc2C1=O 1124505423 NDTLBTHJEUMBMJ-QFIPXVFZSA-N 430.891 4.641 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@]1(c2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)C1 1125570815 CVUZTZSIRFLNCO-JIBACQESSA-N 434.580 4.869 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)c1ccccc1 1127361776 YSOYFYBAIXLEJX-HXUWFJFHSA-N 445.376 4.982 30 10 IJEE N#Cc1cnc(C(=O)N2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)c(Cl)c1 1129568646 HKWMIYDIWIRYPF-GFCCVEGCSA-N 449.711 4.528 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc1OC 1130027475 JGVQESCPJNNBAI-SDNWHVSQSA-N 425.488 4.773 30 10 IJEE C#CC[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccccc1 1137622802 YROAOGPHWDXNBT-VXKWHMMOSA-N 436.552 4.922 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1OC 1143153902 YQJNYMXEQTVLIB-LUAWRHEFSA-N 434.580 4.822 30 10 IJEE CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccccc1F 1174603038 HVWDZOJIHIROBM-UHFFFAOYSA-N 448.542 4.964 30 10 IJEE CC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)c(F)c1 1196696466 XLXXAKUKLBUCMM-UHFFFAOYSA-N 441.506 4.782 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2nccnc2c1Br)c1ccc(Cl)cc1F 1217664992 KYQZPGMOOPWQKZ-CYBMUJFWSA-N 433.668 4.681 30 10 IJEE C=CCCC[C@@H](NC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1 1221415330 FBOSVKZJCGTKBX-JOCHJYFZSA-N 436.552 4.860 30 10 IJEE C#Cc1ccc(CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)cc1 1221813175 ZWUGRWJFKXRIPH-HSZRJFAPSA-N 435.568 4.857 30 10 IJEE C=CC[C@H](NC(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1)c1ccncc1 1228097290 IFOSJXWAWMJUFL-FQEVSTJZSA-N 438.528 4.650 30 10 IJEE C=CCCCCCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1248566358 ONXREPIUURWEMV-UHFFFAOYSA-N 428.455 4.582 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H]2Cc3c(F)cc(C)cc3N2C(=O)OC(C)(C)C)cc1 1272015188 MYAORSPLOWEBBL-JOCHJYFZSA-N 440.515 4.682 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[C@@H]1CCCCO1 1286278980 IMHLPFCQAICRND-HBFSDRIKSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccc(Cl)s1 1286318136 LOSCUAMUYOZRLT-UHFFFAOYSA-N 428.945 4.829 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(CC)C[C@H]1CCCO1 1286319376 ZPXAIPRFKROSHM-LJQANCHMSA-N 431.378 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=CCC1 1286552899 SMQOTBIEXIRQNX-QUCCMNQESA-N 443.389 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1286560806 JBYCUWUNPDFZIE-BPXKWBHBSA-N 439.510 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1cc(Cl)ccc1OC(F)F 1286571942 VCZBLKFRXHBCSE-UHFFFAOYSA-N 435.906 4.989 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOC(C)(C)C 1286581294 HNWCKEZTHANKGP-UHFFFAOYSA-N 449.640 4.610 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C1CCC2(CC1)OCCO2 1286589870 JHTJIEQQEGMVBK-UHFFFAOYSA-N 437.371 4.950 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](c2ccco2)N(C)C)CC1 1286664407 XALRJGGVGUTATI-JOCHJYFZSA-N 449.599 4.718 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 1286681689 QVEYNDVHKCEUMM-JXNNMWDUSA-N 438.616 4.844 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1sc(C)nc1C 1286718776 CHDMZBILOAXPPX-UHFFFAOYSA-N 438.420 4.707 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC(C)(C)CN1CCCC1 1286748422 VAFUUSZSBOWWJM-UHFFFAOYSA-N 438.645 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCCNC(=O)OC(C)(C)C 1286748429 XUYGRMNGKWGXBD-UHFFFAOYSA-N 433.622 4.745 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(Cl)nc1 1286763750 SCQTZUWATQAFRL-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCOc1ccc(Cn2c(N(CCOC)[C@H]3CC[C@H](C)C3)nnc2C(C)(C)C)cc1 1286796366 JYQXATRETVRRRP-FPOVZHCZSA-N 426.605 4.830 30 10 IJEE C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)Sc1ccccc1 1288641870 HMEAQMQJMCDPNX-NQIIRXRSSA-N 425.602 4.831 30 10 IJEE C#CCN(C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)[C@@H]1CCCc2ccccc21 1289233541 SERFWNKGOGVHAQ-WIYYLYMNSA-N 428.985 4.695 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1293256286 FYYULDIWDIXZIW-JCTONOIOSA-N 434.632 4.810 30 10 IJEE COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1 1297713033 DINHYPYVTQQLAX-XMMPIXPASA-N 429.520 4.700 30 10 IJEE C#C[C@@H](NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)c1ccc(Cl)cc1 1298924182 BKWKRYAHXCJSKV-CGDJFSCRSA-N 449.016 4.700 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 1300275603 XAZKAMCKNWLNJV-CABCVRRESA-N 441.988 4.912 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1300565990 ZNJMRBOZXJQXOC-NOZRDPDXSA-N 442.563 4.786 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2ccccc2)nc1 1300587642 RZKRXGCCUGHLNE-UHFFFAOYSA-N 439.563 4.709 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H]1C 1300979552 CIZWSCDOQCPWKJ-KGLIPLIRSA-N 425.396 4.597 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN(C)CCCC)CC1 1301030129 FWHIVHZGBBCXRJ-UHFFFAOYSA-N 426.996 4.518 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccn2C)n1Cc1ccnc(C(F)(F)F)c1 1301168527 QZZAPVZZRNRNPW-UHFFFAOYSA-N 432.494 4.928 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1301203600 XKTWKKIGXIDKCJ-DLBZAZTESA-N 432.410 4.593 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@]2(CCSC2)C1)C(C)C 1301367704 RTCBERZMQFWQKA-RDGATRHJSA-N 443.705 4.968 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CC)C1 1301595247 QNUZPPDCLXPJON-LJQANCHMSA-N 427.618 4.693 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(C)CCCO1 1304134927 BIFUYNQYFSITAL-PNCHPQGNSA-N 445.995 4.996 30 10 IJEE CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)o1 1306003098 DGIZQGGEFQTPQI-QGZVFWFLSA-N 444.461 4.503 30 10 IJEE C=C(C)[C@@H](CO)Sc1nnc2n(-c3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc3n12 1307268188 UYVIOOGFKIKOGA-HRAATJIYSA-N 434.565 4.576 30 10 IJEE C#CCC1(NC(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)CCOCC1 1310964786 GELMAOKQADHDCC-UHFFFAOYSA-N 429.314 4.935 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccccc2)C1 1321789306 RBCCRYMCISOXDR-JTHBVZDNSA-N 432.568 4.865 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21 1353352964 GKYAYKZRXLYGST-OCCSQVGLSA-N 444.354 4.908 30 10 IJEE CCc1cc(Br)ccc1NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1355701084 KVNFJOPMUWGKTO-KRWDZBQOSA-N 438.366 4.927 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](OC)C(C)(C)C 1358879124 LOKUWWWGIYPRHO-AVRDEDQJSA-N 436.556 4.636 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1cccs1)N1CCCC1 1358879189 MLRHSTJORZXIMS-YLJYHZDGSA-N 440.016 4.955 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OCCC)CC1 1359050343 OEJQTJKPMFSKTG-FQEVSTJZSA-N 433.021 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1CSC 1359104621 DLJAJFNMMXVLGX-JRSUCEMESA-N 448.677 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1nc(C)cc1C 1359115315 UAKHZYVFTLILBW-UHFFFAOYSA-N 431.588 4.656 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1359165954 ANUBORUYISAWRY-NLFFAJNJSA-N 425.596 4.675 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@@H](SCC)C1 1359212076 YZOIKDSPJLXIOP-LJQANCHMSA-N 428.602 4.795 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359229578 MZQNUEUOJMGAKE-FCGDIQPGSA-N 440.579 4.517 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1C[C@@H](C)O[C@H](C)C1 1359261599 ONPTYTSHUUGNAT-WOJBJXKFSA-N 449.574 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)c1ccccc1 1359263124 QDGSSRFSYVUOQA-VWLOTQADSA-N 445.592 4.810 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)C(F)(F)F)cc1 1436241188 YENXCSOQMBRETQ-QGZVFWFLSA-N 429.316 4.558 30 10 IJEE N#Cc1cc(C(=O)NCc2cc(Oc3cccc(Cl)c3)ccn2)cnc1C(F)(F)F 1439901290 APZYOPLSRBPMBJ-UHFFFAOYSA-N 432.789 4.743 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@@H]1C)c1ccc(Cl)cc1 1450846644 JXUAZGASZZIRBG-VAFVZNMKSA-N 434.967 4.915 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 1455284613 VBGFSPUIXWZVEK-ARFHVFGLSA-N 432.870 4.713 30 10 IJEE Cc1nc(SCC(=O)N[C@@H](COc2ccccc2)c2ccccc2)c(C#N)c(C)c1C 1456160552 ASORVDIOSBCAST-QHCPKHFHSA-N 431.561 4.907 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1456308393 QAEWILSEDXCWSO-NRFANRHFSA-N 425.400 4.962 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C 1460781869 SBXPDNSKSRBYKP-MRXNPFEDSA-N 426.351 4.956 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)cc1 1460796493 YQRSCXGILFOSDU-PNCHPQGNSA-N 438.955 4.613 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2sccc2Br)CCCN1C(=O)OC(C)(C)C 1462465863 FOLWLLAWMCCRDK-IBGZPJMESA-N 443.407 4.515 30 10 IJEE C=C/C=C/CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccc(F)cc2)c1 1462549932 OEIYYNMBFUWYRJ-AATRIKPKSA-N 448.947 4.723 30 10 IJEE Cc1noc(C[C@@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)n1 1465529003 DHWJZGKANOXRBA-FQEVSTJZSA-N 445.523 4.624 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1468411661 NUOAWNIODCJTOJ-NHCUHLMSSA-N 445.485 4.813 30 10 IJEE C=CC[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c1ccncc1 1468884303 MURFLAFJUKBWOX-SFTDATJTSA-N 442.604 4.766 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 1470875710 MVWGXJCQOLWXRD-GOSISDBHSA-N 437.943 4.869 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(OCC)cc2)c2cccc(Cl)c2)cc1 1475121143 TWBVBBFHRLMWNE-HSZRJFAPSA-N 425.937 4.788 30 10 IJEE N#Cc1cc(NC(=O)NCC2CCN(CC(F)(F)F)CC2)ccc1Oc1ccccc1 1476463203 GMFZOIHSZWAUOE-UHFFFAOYSA-N 432.446 4.746 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cccc(COCCOC)c1 1476729697 YENWFZHCFRZVMC-UHFFFAOYSA-N 435.318 4.821 30 10 IJEE C#CCN(C(=O)Nc1ccc(Cl)cc1SC)C1CCN(C(=O)OC(C)(C)C)CC1 1476855207 POTITQVVCRZGJL-UHFFFAOYSA-N 437.993 4.929 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br 1476877794 KHIUQSPFMWGVSM-YMTOWFKASA-N 441.219 4.590 30 10 IJEE Cc1cccc(C)c1CN(CC(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478419783 DCBKYQCQWXTTBW-DEOSSOPVSA-N 432.568 4.538 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)C1 1479313506 OKROPYNEGMUZPC-SFHVURJKSA-N 447.913 4.650 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](c2ccco2)N(C)C)cc1 1497901199 DWWZUXTZGZOELM-QFIPXVFZSA-N 432.572 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)[C@H](C)CC 1507517003 FBFAFGYDDHPPFB-MSOLQXFVSA-N 436.629 4.565 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1nc(C)c(C)s1 1507603493 BGWSKHGUWLKGGS-UHFFFAOYSA-N 444.608 4.738 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1507676475 MGAQZEVJBYPXDJ-PXDATVDWSA-N 436.625 4.689 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1507682238 KXDFRZBLWQUCCC-NHCUHLMSSA-N 433.600 4.909 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)[C@H](C)CCc2ccc(O)cc2)nnc1C(C)(C)C 1507811521 RWEIYZRUEOKKLC-CBQOVEMMSA-N 426.605 4.720 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1507822231 YZTCTYGMHUSJCD-NHCUHLMSSA-N 437.588 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1507911709 NACZZPNEJMQYOE-GOSISDBHSA-N 429.996 4.553 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)C1CC1 1507990133 MDJYHECYDAMAFF-GOSISDBHSA-N 425.577 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)SC 1508009509 QNQSGFHWGJHZPL-HNNXBMFYSA-N 428.583 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC1(COC)CCC1 1508015332 RRJCVICRVWJGGB-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1508164123 YTOFTPVYQCXZFW-SFNQZPIRSA-N 434.675 4.721 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCOC2)CCCC1 1513622549 GTZLFTQHYNWNIT-NRFANRHFSA-N 437.588 4.562 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CCC1 1519986539 KWCBRQAZWNNKBE-HXUWFJFHSA-N 442.556 4.928 30 10 IJEE CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(C#N)cc1F)C1CC1 1522658267 CMWSXIBCARDCCD-IBGZPJMESA-N 435.282 4.913 30 10 IJEE C=CCC[C@@H](C(=O)Oc1cc([N+](=O)[O-])ccc1I)c1ccccc1 1523338133 BJAXDOGBHVGDFD-OAHLLOKOSA-N 437.233 4.855 30 10 IJEE C=CC[C@@H]1N(C(=O)CCOc2cccc(I)c2)CCCC1(C)C 1524696632 NVGQDTQDMQOTDN-KRWDZBQOSA-N 427.326 4.653 30 10 IJEE C#C[C@H](NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)c1ccc(Br)cc1 1525054318 LNBXVIMIGSKUAR-QFIPXVFZSA-N 434.337 4.681 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)c1 1527163112 DBQJUVUCKFNJSV-HZPDHXFCSA-N 430.595 4.558 30 10 IJEE C=CCc1ccc(OC(=O)c2nn(-c3ccccc3F)cc2Br)c(OC)c1 1529605646 YOLSBQZDSJRCSI-UHFFFAOYSA-N 431.261 4.730 30 10 IJEE C#CCN(C(=O)[C@H](C)c1c(F)cccc1F)[C@H]1CCOc2ccc(Br)cc21 1529626753 FPQYPYVVHTWFGC-ACJLOTCBSA-N 434.280 4.816 30 10 IJEE C#CCCCCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 1530610833 OBLRNINXFSJSOF-JZJYNLBNSA-N 426.582 4.720 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1 1536694805 QBPMSQJXMUYNPG-OAQYLSRUSA-N 445.332 4.913 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(C)c1Cc1ccccc1 1536695242 URFPBTPRPQDVCQ-UHFFFAOYSA-N 442.332 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CCOC)CCCCC1 1539002509 TZDMZWUVEPTFAY-OAQYLSRUSA-N 446.599 4.576 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H]1CCCN(CC(C)C)C1 1539385376 YZSOUUNUQUGKOY-FYYLOGMGSA-N 439.623 4.939 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(C)C)C1 1539510154 FMPOIHCUMXZIPT-HXUWFJFHSA-N 435.597 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H](C)CC 1539621652 SBCAAWUGKIIMIL-RFWXGWTQSA-N 434.588 4.799 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2ccn(C)n2)CC1 1539895894 CVTNYTSJMBICHF-UHFFFAOYSA-N 443.020 4.602 30 10 IJEE C=CCCCCn1c(N2CC[C@@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539975175 NMZWLPTURAQZBZ-HAGHYFMRSA-N 429.609 4.784 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(C#N)o1)C1CC1 1540115671 IHIBUCZBPOGCBK-UHFFFAOYSA-N 444.322 4.832 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540855443 UCVKTPAUBASLPN-UHFFFAOYSA-N 447.583 4.601 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC(C)(C#N)CC2)cc1 1540878834 JPWNWUATLRBAPR-UHFFFAOYSA-N 433.581 4.674 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1540917795 CYUXFGCFCDAPCS-FQEVSTJZSA-N 447.048 4.694 30 10 IJEE CC(C)[C@H]1CC[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CC1 1543136562 AIMSJFXUMHVWJN-CUWPLCDZSA-N 432.406 4.620 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1OC 1543517521 DBVAIXHNFLRFMT-CWSBKQHBSA-N 434.580 4.863 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@]2(CO)C[C@H]2c2ccccc2)c1 1556840216 CIVUYIWSMIUEAC-OFVILXPXSA-N 432.907 4.900 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(-c2ccccc2OC)c1C 1558797288 PUASQOQBNCINTR-KRWDZBQOSA-N 428.533 4.582 30 10 IJEE C#CCOc1cccc(NC(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)c1 1562370443 GBUQPCIJYKEQBC-UHFFFAOYSA-N 429.561 4.780 30 10 IJEE C=CCn1cc(CNC(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)nn1 1564006800 RKVWJGZSTZRAIM-FQEVSTJZSA-N 448.329 4.693 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 1567216071 IBXZFUWXXCXWHE-LEWJYISDSA-N 427.520 4.676 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1584753711 RINHVJAIBCLKDG-NZSAHSFTSA-N 440.506 4.898 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)cc2n1 1585161798 RFTCXCSQNFEORP-AGHHOFFYSA-N 438.572 4.977 30 10 IJEE N#CC[C@@H](CC(=O)Nc1nc(-c2ccc(Br)cn2)cs1)c1ccccc1 1587105756 HXHZDWUGHUGCEC-AWEZNQCLSA-N 427.327 4.994 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2(C(C)C)CC2)CC1 1588791003 KALUBGIXCKQJQK-UHFFFAOYSA-N 449.643 4.561 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1588993446 IMYYKXGADWRIJI-INIZCTEOSA-N 434.556 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@@H](C)C1CCC1 1589559398 QYEAQJYCKBHNRZ-JTJYXVOQSA-N 438.616 4.874 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(Cc2ccsc2)CC1 1593600321 GYOJZMUQYRFIJC-UHFFFAOYSA-N 444.004 4.567 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCSC2)CC1 1594071064 XWJZZVVPBYCMOU-OAHLLOKOSA-N 449.418 4.626 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCOC(F)(F)F)CC1 1594193538 QZYRLMOXEMMLQY-HNNXBMFYSA-N 442.457 4.886 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccs2)N(C)C)CC1 1594248128 XNJMZSAXFUSPBY-LJQANCHMSA-N 427.643 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1594504374 QGSAGMDJNOEVCF-UHFFFAOYSA-N 439.648 4.790 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1CSC 1594727173 LLGQKMDUXQOPEO-MOPGFXCFSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccc(OC)cc1OC 1595141868 NHMSOXSGXNRILQ-UHFFFAOYSA-N 426.586 4.895 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1CCO[C@H](C)C1 1595190485 COTBDTIZXULARZ-MSOLQXFVSA-N 430.980 4.991 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(Br)cs2)C1 1595688612 LQIHIJWOPFKMMM-OAHLLOKOSA-N 449.374 4.500 30 10 IJEE C[C@H]1C[C@@H](CCn2c(N3CCC(C#N)CC3)nnc2C(C)(C)C)CN1Cc1ccccc1 1612678990 AGJIHVWMXWZZQH-NZQKXSOJSA-N 434.632 4.616 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1616855344 ZFJFAMUERNFVPJ-FXAWDEMLSA-N 446.498 4.568 30 10 IJEE C#CCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1CCCc2ccccc21 1617566444 JNPZJEPLJYMQQX-NRFANRHFSA-N 434.337 4.788 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 1622836402 ZHYQBCBJMQYXRP-PBHICJAKSA-N 441.475 4.735 30 10 IJEE C=CCC1(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCCC1 1623128320 JGEJGAKCWCRBEP-UHFFFAOYSA-N 433.618 4.898 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)CCCN1C(=O)OC(C)(C)C 1623873000 WQQCKPDIQUWEMO-QFIPXVFZSA-N 438.490 4.936 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(I)c1)[C@@H]1CCCc2ccccc21 1626710495 LWILPJNJTLNHGW-HXUWFJFHSA-N 429.301 4.753 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 1629138925 AQDORUGEWPUZBT-UHFFFAOYSA-N 426.344 4.737 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 1633089677 SRHKFPGFTVBOAM-GHTZIAJQSA-N 434.422 4.848 30 10 IJEE C=CCC[C@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1ccc(C(F)(F)F)cc1 1633471894 WKRUPCBRZSZZMS-SFHVURJKSA-N 425.495 4.838 30 10 IJEE C#CCN(C(=O)NC[C@H](C)CC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1636253739 ALKWWIAPWKQMGD-DOMZBBRYSA-N 433.268 4.506 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1ccc(F)cc1 1636548108 LDJQKIZOHYMKGB-AREMUKBSSA-N 443.522 4.611 30 10 IJEE C#C[C@@H](CCC)NC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 1636563082 SCAISVRIILBVAA-HKUYNNGSSA-N 439.419 4.537 30 10 IJEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1 1641397668 AQASQQHJKRBEIP-JOCHJYFZSA-N 438.936 4.635 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccco1 1642907571 PXEILTXLUOATFI-CTNGQTDRSA-N 428.529 4.743 30 10 IJEE C=CCn1c(SCc2cccc(Br)n2)nc2sc3c(c2c1=O)CCCC3 1643476118 DKKOXQPTTVRCPQ-UHFFFAOYSA-N 448.411 4.973 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)NCc2ccccc2)nnc1-c1cccc(Cl)c1 1643805963 OFWGELOXXGSAAX-LJQANCHMSA-N 426.973 4.972 30 10 IJEE C=CCCN(OCc1ccccc1)c1ncnc(CC(C)C)c1I 1650983986 ULMGGAZWXGADOY-UHFFFAOYSA-N 437.325 4.794 30 10 IJEE CCOc1ccc(-n2c(Sc3cncc(C#N)n3)nnc2-c2ccc(Cl)cc2)cc1 1651336703 CBCGVMIIUCOUHB-UHFFFAOYSA-N 434.912 4.799 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2cc(Br)cc(C(F)(F)F)c2)c1 1651911332 MVLBAGKBMFYKHQ-UHFFFAOYSA-N 425.248 4.520 30 10 IJEE C=CCn1c(SCc2cc(OC)ncc2Br)nnc1-c1ccccc1OC 1652408845 GDEOEFSLWZQTTG-UHFFFAOYSA-N 447.358 4.598 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC([C@H]3CCCCO3)CC2)n(C2CCCCC2)c1C 1655089856 HEPHVHWCLGVTLR-HSZRJFAPSA-N 426.605 4.701 30 10 IJEE COc1cc(OC)cc(N2CC[C@H](NCc3cccc(OCc4cccc(C#N)c4)c3)C2)c1 1656651934 CWUAVKKJGKQZBI-QHCPKHFHSA-N 443.547 4.523 30 10 IJEE C#CCN(C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCOc2ccc(Br)cc21 1658569130 RTLBHZYYCRAAPI-HHXXYDBFSA-N 449.389 4.511 30 10 IJEE COCCN([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)CC1(C#N)CCCCC1 1661705199 GRSJMVPJKCNUBB-MRXNPFEDSA-N 432.508 4.519 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@](C)(c1ccc(Br)cc1)C(C)C 1662782700 FXWSNQWVKITNCT-LJQANCHMSA-N 439.350 4.618 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(F)ccc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1668171647 DENQJEGWHSYUNG-QGZVFWFLSA-N 445.434 4.617 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cnc(OC)c(Cl)c1)c1ccc(C(F)(F)F)cc1 1668175990 BWYFPHXMOWCBOW-MRXNPFEDSA-N 434.867 4.748 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)cc21 1673311872 MTZUUINATTVWNQ-KRWDZBQOSA-N 429.446 4.642 30 10 IJEE Cc1ccc(NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1C(=O)c1ccccc1 1673877653 AWDLKKCKIOSOQQ-UHFFFAOYSA-N 449.514 4.820 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(F)(F)[C@@H](C(=O)OCC)C1)c1ccc(C(F)(F)F)cc1 1679305949 SWGRTYPRFWWRNE-IAGOWNOFSA-N 448.432 4.943 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OC2CCCC2)cc1)c1ccc(Br)cc1 1682255705 ROXKXSYAYGNKBG-NRFANRHFSA-N 427.342 4.944 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(OCCOCC)CC1)c1ccc(C(F)(F)F)cc1 1685817374 MWZXIJFZBXGBFU-HXUWFJFHSA-N 428.495 4.940 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1COc2cc(F)cc(F)c21 1686083417 AREQRCMKMZCVOA-INIZCTEOSA-N 441.247 4.698 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccnc(SCC)c1 1689953901 DANFJDBDNVMYPA-UHFFFAOYSA-N 432.380 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cccs1 1690054346 TVQODTDXAVFRDD-UHFFFAOYSA-N 432.593 4.727 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1scnc1C 1690086120 RLXKRDLWSDGUGZ-UHFFFAOYSA-N 432.018 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1csc(CC)n1 1690198487 PTKCAKLEEFRHTB-JOCHJYFZSA-N 441.988 4.666 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(C)C)C1 1690219440 DWAILYBXEPWDDW-JKSUJKDBSA-N 437.357 4.948 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](COCC)C1 1690304499 DTDCTUMWMQOLFM-HXUWFJFHSA-N 426.605 4.698 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690406838 VEJQPMXFGDQZJL-SFTDATJTSA-N 437.632 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690424584 TUNYYERWNBUXRC-QFIPXVFZSA-N 432.616 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690435167 TYSQUVBPBMKUDZ-KOSHJBKYSA-N 445.007 4.509 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690464783 KKFGCEPLPONAHT-PMACEKPBSA-N 433.641 4.963 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OC(C)(C)C)CC1 1690465714 KCIUJXXLPNONFM-UHFFFAOYSA-N 436.604 4.657 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 1690467939 NAQVQLSCJLVHIG-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCN(C(C)C)C2)C1 1690687474 CAJSSEJPSSUYMQ-UGKGYDQZSA-N 444.023 4.500 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)Cc2cccs2)C1 1690706303 IDCXPBKYXRZXQM-NQIIRXRSSA-N 440.588 4.730 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1csc(C(C)C)n1 1705477480 OOFBIYNMLAVXIX-SJORKVTESA-N 441.576 4.838 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1705526834 MUYTUPMWPUVEJG-CTNGQTDRSA-N 447.583 4.626 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705660840 IQJXQXKJIYTDTM-HSZRJFAPSA-N 447.048 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)CC(C)(C)C1 1705708597 DZPCCKOIJLIBPV-PWHSHALESA-N 442.579 4.850 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1705784055 GEJABQMWAHWKQP-HSZRJFAPSA-N 425.596 4.855 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CCSC(F)(F)F)C1CC1 1705858315 LLMKMAOBNYAARE-UHFFFAOYSA-N 426.508 4.882 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(CC)C[C@@H]1CCCO1 1722314341 KWFOLVWEQPPKCK-HNNXBMFYSA-N 437.407 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCSCC1 1722496220 WFOXQBISKDYNJG-CTNGQTDRSA-N 426.630 4.777 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1722528782 ONSYTMMUYUJCHQ-IBGZPJMESA-N 426.605 4.839 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@H]1C 1722546982 GAANDRDLCYPMSG-LLVKDONJSA-N 431.762 4.541 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCN(C)C(C)C)CC1 1722562171 ODHFYGVUABKBQT-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN(CC)C2CC2)CC1 1722574170 GSBCIHZMTJJBIH-OAQYLSRUSA-N 437.632 4.922 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 1722597133 QUXISYGUPLOXNK-GMAHTHKFSA-N 448.615 4.503 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(CC)CCC2)C1 1722711656 WFCXSPOVGJCASK-RTBURBONSA-N 428.552 4.919 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)C1 1729268980 DJELSBOMEWJQFL-URXFXBBRSA-N 439.629 4.744 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cccc(C)c1 1740664139 GAUMVCAAWPEUPB-LJQANCHMSA-N 434.609 4.978 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC[C@@H](OC)C(F)(F)F 1740676883 AWQOZRDWZJOJJG-MAUKXSAKSA-N 426.458 4.538 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@H]1CCCN(CC(C)C)C1 1740677263 SFZYUALYGYFBOW-QFIPXVFZSA-N 437.607 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CC1(N2CCSCC2)CCCCC1 1740726186 YVKHLIHXIQEUFM-NZQKXSOJSA-N 429.678 4.535 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1740741054 CZAYQUQFWZDJPO-GOSISDBHSA-N 428.309 4.729 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(OC(C)C)c1 1740758427 XMASANLAAZOOBT-URXFXBBRSA-N 447.583 4.745 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CC1CCN(CC(F)(F)F)CC1 1740775399 ZCPXEXVUWQILNH-UHFFFAOYSA-N 449.565 4.854 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1)c1ccccc1 1740854122 LIBVYZNGSDXBLT-QFIPXVFZSA-N 447.583 4.555 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740868882 VQKNHLVAJYXEPQ-WOJBJXKFSA-N 438.551 4.870 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1CC(OC(C)(C)C)C1 1740893195 ANEYXRNEDSMQGM-UHFFFAOYSA-N 428.577 4.568 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CCc1nnc(C)s1 1740919084 ZFIRMSFSYASMRR-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1nccn1C(F)F 1740925785 RNBYOCOIVNWZQA-UHFFFAOYSA-N 449.303 4.526 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)c(C)s1 1740935066 ARKGQUAGXXHZQR-NRFANRHFSA-N 437.613 4.876 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)Oc2ccc(Cl)cc2)C1 1740974359 FFAWKOOHUIWKSM-FXAWDEMLSA-N 442.947 4.749 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1748649184 KYHGNSVYNFMEAL-DLBZAZTESA-N 445.995 4.559 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1748773263 VLKLKFNWTDGXKE-BXWFABGCSA-N 438.469 4.995 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCCC[C@H](C)C1 1749239265 HJUQRSPOQWYUGT-IBGZPJMESA-N 430.618 4.798 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2CCN(CC)CC2)CC1 1749343733 QTLDRLCODWUISY-UHFFFAOYSA-N 443.586 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749355837 RARZCWIEHXCBQD-QGZVFWFLSA-N 448.514 4.538 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1749456728 KVZOXQNOJAXAAX-FCHUYYIVSA-N 429.653 4.619 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCC[C@H]1C 1749591781 YKZWSCYIXPWJMB-QFQXNSOFSA-N 434.584 4.557 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1749608121 MXHYTIIMBRTQGE-UHFFFAOYSA-N 449.773 4.813 30 10 IJEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1749609305 MSEWUBZXPURTDG-UHFFFAOYSA-N 448.514 4.563 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1749760188 FCWOBKVRRICCAP-UHFFFAOYSA-N 438.519 4.518 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCCC(C)C)CC1 1760132848 TYMCGNCXDZVCKN-UHFFFAOYSA-N 429.996 4.829 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760132984 VVLHYVDEZDTSJB-XMMPIXPASA-N 430.600 4.966 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1c[nH]c2ccccc12 1760238636 DFXUYODRNRYYFO-FYYLOGMGSA-N 433.600 4.770 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)C/C(C)=C\c1ccccc1 1760284193 IKUWGRXKBYAPFY-JXAWBTAJSA-N 437.638 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1-c1cnn(C)c1 1760331193 IXQADZBUBSHUJI-UHFFFAOYSA-N 447.974 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)CCOC)CC1 1760385942 FDOPHWCJABVXAI-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760426592 XZPYCLVVLKEZBN-QGZVFWFLSA-N 446.521 4.856 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760433763 MABBZSLHSMUBGI-JOCHJYFZSA-N 434.588 4.520 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CCC)C1 1760484882 NDMLZUNTUIBMGM-HXUWFJFHSA-N 427.612 4.930 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1ccc(F)c(Cl)c1 1760500026 AUNYBGIUEXOHIE-HXUWFJFHSA-N 430.911 4.799 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCCC[C@@H](COC)C1 1760532866 HQPLNYXVYUANJS-HXUWFJFHSA-N 426.605 4.733 30 10 IJEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@H]2CCCC[C@H]2C)[C@@H]1C 1762845116 AWJPJZQARSUCJI-IWQHBPENSA-N 439.629 4.742 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C(C)C 1766510071 DFPBXMCOYDBQRC-NFBKMPQASA-N 439.604 4.805 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C)CCCC1 1770536917 HMSWPBRVISVURO-QFIPXVFZSA-N 429.565 4.601 30 10 IJEE CC(C)CCNC(=S)N/N=C/c1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 1860499411 OTCCYENUQLVZTB-KTZMUZOWSA-N 433.931 4.974 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862382524 CXTAXDCWAVJLBS-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C(=O)O 1862434295 WAORMNAEFHIMTL-LJQANCHMSA-N 427.884 4.807 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)c(O)c2)ccc1F 1862503555 ZRXKPSZWXJQDMP-XJDIIYGHSA-N 439.483 4.702 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862539817 YRCQAKSYTIPFLW-HXUWFJFHSA-N 447.453 4.883 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)C)cc1 1862608776 VYHQIUBWZLTLRI-HSZRJFAPSA-N 435.520 4.816 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 1862614173 ZNFQAHXJBNODLV-QHCPKHFHSA-N 442.515 4.863 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(OC)cc1 1862638006 REEOADYZROTXRE-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862643214 MTXWUSSJEZAJPB-OYHNWAKOSA-N 441.499 5.000 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1 1862905184 ALAHEQIEAPQLOS-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2cccc(Cl)c2)C1=O 1862940710 OAWYSUCCJXQFEM-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 1870139248 GWEUPYSSZRQOSQ-UHFFFAOYSA-N 429.867 4.720 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870159877 UPGQLPCPFNMVBN-CHWSQXEVSA-N 432.698 4.841 30 10 IJEE CN(C)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1ccccc1 1870233217 YWUXSJQLNHXHAE-UHFFFAOYSA-N 447.604 4.684 30 10 IJEE CCCCCCCOc1cn(CCCO)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870251981 ZTPWXDLPWDWHBW-UHFFFAOYSA-N 443.613 4.890 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1CCCOCCCC 1870614886 HGDLDCDGDOTJNR-UHFFFAOYSA-N 442.575 4.947 30 10 IJEE COc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)cc1 1871254937 MFZOQLWISFUNQM-UHFFFAOYSA-N 431.536 4.966 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871802712 FODCBANDZMTUGX-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871844930 NQRZWKUUYGXNLU-JOCHJYFZSA-N 430.570 4.814 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872215412 AANYMKBHYDSKGN-FDDCHVKYSA-N 428.598 4.853 30 10 IJEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1 1872870634 KSOHJCVPSSRJNJ-UHFFFAOYSA-N 442.559 4.965 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(=O)OCC)=C(c2cccc(Cl)c2Cl)C1=O 1873341500 KBQUYPMUXCTSLP-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE Cc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccccc3C#N)CS[C@@H]2c2ccccc2)cc1 1873868394 ASJOCGKRUCTLBC-RCZVLFRGSA-N 427.529 4.762 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(C)cc1 1874405177 KOLUHTZBTAWPQR-LFVJCYFKSA-N 427.618 4.552 30 10 IJEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(F)c3)ccc2OC)cc1 1874707567 LFUUGKNMMPFUQN-NYYWCZLTSA-N 436.435 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(C)=O)c(OC)c2)c(C)c1C 1875166790 SVVRFQWDAZRNEY-SOFGYWHQSA-N 433.298 4.905 30 10 IJEE CC(C)(C)OC(=O)N(CCOc1cc(Br)cnc1C#N)Cc1ccccc1 1883783270 VSRGGDVTAIPOKV-UHFFFAOYSA-N 432.318 4.532 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2 1976482278 UDDQZBCOQGUWQK-HBCWATKFSA-N 433.471 4.610 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 2102882376 LZYPGZHSNHXDMJ-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Br)cc(F)c2C#N)C(C)(C)C1 2107453112 GQPVGJUCBZQVLE-INIZCTEOSA-N 426.330 4.907 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1Br 2145269799 GZAYJSYCOIMKIT-RTBURBONSA-N 428.349 4.951 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1Br)C1CCCCC1 2181114755 NLIJGFHLJUXRIO-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccc(Nc2cc(Br)cnc2C#N)cc1 2203174067 AMTLBYKOIWSTGC-UHFFFAOYSA-N 431.334 4.917 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1cn(CCN(C)C(=O)OC(C)(C)C)cn1 2218298890 FWMZTUFWQHTEIK-QHCPKHFHSA-N 442.604 4.564 30 10 IJEE CC1(C)CN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)CCCN1Cc1ccccc1 2220080071 PBMAXPKAHILMKI-UHFFFAOYSA-N 440.462 4.534 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)C#Cc1ccccc1Br 2235719658 BCRAFFWJXHXASE-ROUUACIJSA-N 434.374 4.899 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@H](N)C#Cc1ccccc1Br 2235720009 GZSJRQCJLBJQMK-MJGOQNOKSA-N 447.398 4.724 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C 2235728394 LNNMCYGYKURVQU-XAMWDVODSA-N 435.406 4.670 30 10 IJEE C=C(c1ccccc1)[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237416630 AJLRQBJFJFUUBO-UXHICEINSA-N 431.374 4.926 30 10 IJEE O=C(C#Cc1cccc(Cl)c1)[C@@H](O)c1cc(Br)c(Br)s1 2239556477 JLZLAYQLLDEPPO-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@H](O)C#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2260937097 MVZWSOFKEWLPGF-XMMPIXPASA-N 440.628 4.881 30 10 IJEE C=CCCC1([C@@H](O)Cc2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266239289 VGXLMRIIPOTCFH-KRWDZBQOSA-N 428.342 4.695 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2267116474 SWCAMOIXDZVXAC-MAEOIBBWSA-N 444.381 4.831 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3cccs3)c(O)c2)OC1(C)C 2267687944 QBJVUKKVENKMBG-UHFFFAOYSA-N 449.381 4.596 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(F)cc(Br)c2F)C1 2272733927 OHNGDZOKCMRDCI-MRXNPFEDSA-N 431.321 4.849 30 10 IJEE C=CCCC1(C(=O)N[C@H](C)c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 2281015359 VKUTXILNSHOZIG-OAHLLOKOSA-N 437.378 4.830 30 10 IJEE CC(C)(C)C#CC=CC[C@H](NN)c1cc(Br)ccc1I 2284074151 YPAHYQJLZGOIGU-HNNXBMFYSA-N 447.158 4.554 30 10 IJEE CC1(C)OB(c2cnc(Oc3cc(F)c(Cl)cc3Br)c(F)c2)OC1(C)C 2284463208 SPFNVIMYXMOPJE-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE CC(C)(C)OC(=O)N1CCCC12CCC(O)(C#Cc1cccc(Br)c1)CC2 2296228272 XLLDVLMEVKDDKM-UHFFFAOYSA-N 434.374 4.875 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](C#Cc2cccc(Br)c2)NCCC)C1 2296274464 UIJOGBIYMMGHIU-LJQANCHMSA-N 433.390 4.782 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CC=CCN1C(=O)OC(C)(C)C 2296292427 YIFJYSNZARUWMQ-VQTJNVASSA-N 433.390 4.734 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 2297062035 HDDXGUBFYVPAFJ-FQEVSTJZSA-N 434.517 4.703 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 2314429587 KKWOMYCKWNMAOA-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Sc2ccc(Br)cc2)OC1(C)C 2317227139 RMWFHVDGDBDPFF-UHFFFAOYSA-N 426.572 4.948 30 10 IJEE CC(C)(C)OC(=O)NC1(CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2317357617 AKGQSTGYXABQGS-GXDHUFHOSA-N 430.354 4.552 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1cccnc1 2321359085 ZRAZKTYKYYTQRW-UHFFFAOYSA-N 436.368 4.986 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccccc2C)cc1OC 2322170815 DCEHNNAUAIQFNT-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1OCC(=O)NCc1ccccc1 2322575316 QNWYORGFSLGQBC-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE COc1cc(C=NNc2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2322922981 XSGMIIKESQBOOT-UHFFFAOYSA-N 435.436 4.635 30 10 IJEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)Nc1nccs1 2324567787 CYPOCDLJELAKQU-UHFFFAOYSA-N 436.533 4.991 30 10 IJEE COC(=O)COc1c(OC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2324571086 CGJVZZJSDZIZSD-UHFFFAOYSA-N 426.509 4.758 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2324745063 GHMGCWXITWGPHA-UHFFFAOYSA-N 431.400 4.577 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3Cl)ccc2C1=O 2325717734 ACEHZUDLLBFUAW-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE Cc1ccsc1C=Nn1c(CCc2cccc3ccccc23)nnc1SCCCO 2326618510 BFIIXLAIPDSSPW-UHFFFAOYSA-N 436.606 4.943 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1cn(C)c2ccccc12 2328754034 BHEKUWVXRXVYLU-UHFFFAOYSA-N 431.565 4.942 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SCCO)cc1 2328764299 WGIFGYXDZCIVAU-UHFFFAOYSA-N 438.597 4.554 30 10 IJEE CCCOc1c(C=Nn2c(CC3CCCCC3)nnc2SCCCO)cccc1OC 2330288433 OPPJARZQXLWLQL-UHFFFAOYSA-N 446.617 4.555 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1Cl 2331376283 UFOODKVHICCHAB-UHFFFAOYSA-N 445.951 4.981 30 10 IJEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1OC 2331443734 NRDZBINPISKNOQ-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)c1 2331493299 UEDQOHJRKJZPFL-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cn(C)c3ccccc23)o1 2331512982 TTZZWFLVXGKFIM-UHFFFAOYSA-N 449.536 4.591 30 10 IJEE C=CC[C@@H](Oc1cc(Br)nc(CCC)n1)[C@@H]1CCN1C(=O)OC(C)(C)C 2335742228 HNYPOXVLWQKRSF-UONOGXRCSA-N 426.355 4.525 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(COC)c1 2337136242 CROBGRRSIIRELW-MSOLQXFVSA-N 427.383 4.716 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339536488 KUDIKBMDZLKMQM-IBGZPJMESA-N 443.397 4.928 30 10 IJEE CCCC1(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339579356 VAGQMSAIIWJPRS-UHFFFAOYSA-N 443.397 4.928 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339586203 BASVLGZOGSVLGP-ASLVEYIASA-N 443.397 4.784 30 10 IJEE O[C@@H](C#Cc1cccc(Br)c1)c1ccc(Cl)cc1I 2340049843 KKFSULJXMOSVBL-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2358671074 DZINGPJKRXLULR-IHPCNDPISA-N 435.406 4.862 30 10 IJEE COCc1ccc(CNC2(C#N)CCC(C)(NC(=O)OCc3ccccc3)CC2)s1 2368042374 OHRLKUZITLEKIX-UHFFFAOYSA-N 427.570 4.506 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)C2 2370219828 NQERKOKYAIJHRE-QIJUGHKUSA-N 433.390 4.616 30 10 IJEE C=CCOc1ccc(/C=C2\SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2365616 WZZPVGXOCTYGBE-PGMHBOJBSA-N 439.968 4.697 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccc(C(C)=O)cc1 20291057 JYRDIQDGANMIQB-UHFFFAOYSA-N 449.580 4.708 30 10 IJEE C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 36306494 PKVUGGAUXLHVNB-HSZRJFAPSA-N 449.595 4.963 30 10 IJEE Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NC2(C#N)CCCC2)c(C)c1 39593048 NGUBHPHAIMSIEM-UHFFFAOYSA-N 445.592 4.520 30 10 IJEE CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)c2c1 64473958 FPGQFDGDZNMYKT-UHFFFAOYSA-N 428.536 4.977 30 10 IJEE CCOc1ccc(NC(=O)c2ccc(NC(=O)/C=C\C(=O)c3ccc(F)cc3)cc2)cc1 96838963 CEPDQFVRPNBMJB-NXVVXOECSA-N 432.451 4.854 30 10 IJEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs/c1=N\c1ccc(C)cc1 101051069 RBFBNIVBYFAXAQ-VHXPQNKSSA-N 439.606 4.728 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCC)cc2)S/C1=N/c1cccc(Cl)c1 101613719 VYBZQDHLRJILHQ-YPYXJLKGSA-N 443.956 4.885 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 104985107 DTBGMLRLVKGLJD-VQTJNVASSA-N 449.378 4.552 30 10 IJEE CCN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2F)C1=O 105615232 BOUAKAQOOAFLIW-MRXNPFEDSA-N 440.327 4.795 30 10 IJEE CCCCCCOc1ccc(/C=N\n2c(S)nnc2COc2ccccc2)cc1OC 169914407 WDJPWWOIMUBHNJ-JLPGSUDCSA-N 440.569 4.996 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(C)cc1 169944939 ZNVGJLFXWUWMMB-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(O)cc2)cc1 169959381 KUEVSNPNBNFLIA-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccs2)cc1 169982654 IBPIDADODGIUMZ-NRFANRHFSA-N 435.501 4.544 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1 170055277 LRSNKFZMYJLABS-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)cc1C 170131409 QETJRBSXOBQADR-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)cc1 170133495 MEZPQKAYYFYXFP-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2cccs2)C(=O)N(c2ccc(C#N)cc2)C1=O 170157474 CBXAKCXFKXWZKX-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccn2)cc1 170176992 YIBQGISIDWFSCP-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccnc1 170197367 CHEQQCIXKIAJOW-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccncc2)ccc1OC(C)C 170201657 WJIKKIXZHSDSQU-QHCPKHFHSA-N 444.487 4.666 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2)cc1 170224926 SAZHRQSKTWEGJH-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)cc1OC 170282610 JTGYFTJZOLRULG-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 170346985 ZJNZWLVNYIGANP-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE Cc1nc(COc2ccccc2/C=C\C(=O)Nc2ncccc2OCCCC#N)cs1 209646042 YPLQUEVGDVLDBV-KHPPLWFESA-N 434.521 4.760 30 10 IJEE C=C[C@@H]1c2cc(OC)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)c1ccccc1 248007335 HKRFSMQWEVNGKI-QPPBQGQZSA-N 433.529 4.734 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(NN=C(C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 254823076 FOURCGZOVFVXMT-UHFFFAOYSA-N 440.525 4.615 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCC 406679909 YMODUMMVEBMDIS-ROUUACIJSA-N 429.374 4.968 30 10 IJEE Cc1c(-c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)sc2ccc(C#N)cc12 426448625 CWFSGHYRIBHJMD-UHFFFAOYSA-N 429.910 4.759 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)cc(OC)c1OC 433615427 IOSGABNUYZMEES-SFHVURJKSA-N 426.410 4.516 30 10 IJEE N#Cc1cccnc1OC1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 437106834 NMNMERPJUJPCLT-FOJYNEPKSA-N 428.492 4.931 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cc(OC)c(O)c(OC)c1)c1ccc(C(F)(F)F)cc1 441503490 SPLSXKJVWWFSJS-KRWDZBQOSA-N 438.446 4.935 30 10 IJEE Cc1nc(C2(NC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CCCCCC2)no1 465180223 XZANKMGTRKELJZ-UHFFFAOYSA-N 436.541 4.668 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 475548550 BZBVPEUCAQCRHB-HSZRJFAPSA-N 425.548 4.873 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCCc1nc(-c2cccnc2)cs1 479650247 FDOSMIAKJUGBOC-HSZRJFAPSA-N 434.565 4.619 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 508861147 BHWVMEXMVBCCPZ-OAQYLSRUSA-N 442.922 4.819 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](c2ccsc2)C1 508906522 GJNIZPHNAQZOLW-NRFANRHFSA-N 440.569 4.568 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)CC1 519271014 FCWISZBRSIRCHY-UHFFFAOYSA-N 434.515 4.677 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)c(OC)c2)c1 526488238 GEMBNJDSMTVPGP-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)cs1 551925875 IXLMQPFJOOHMIW-UHFFFAOYSA-N 434.540 4.662 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 578371975 ILHQGOKLEIZVQK-HXUWFJFHSA-N 438.503 4.541 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccc(C)cc1 671164243 XCDPKLOAWABNGI-QGZVFWFLSA-N 444.564 4.949 30 10 IJEE C=CCn1c(COc2ccccc2Cc2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1 685532699 NIDVPLLBGDJIQB-MHZLTWQESA-N 444.579 4.641 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 724090145 CGWAXDHSZQLJCW-HRAATJIYSA-N 436.557 4.901 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cccc1C 742212798 ZOSPQJZXALDZOP-FQEVSTJZSA-N 437.540 4.816 30 10 IJEE COc1ccc(CNC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1C#N 747446872 KSWBYJDLVRCEEJ-UHFFFAOYSA-N 441.487 4.834 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN(C)Cc2nc3c(s2)CCCC3)c1=S 765051130 JMKBBSBRHHFSDM-UHFFFAOYSA-N 441.626 4.700 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)cc1OC 779702679 HDDBZNVAGUYLFV-BPOBUFBUSA-N 425.529 4.924 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C#N)cc3F)cc2OC)o1 781108895 UTTAAQIZTZTMJQ-XBXARRHUSA-N 435.407 4.561 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 802586660 CXQYROWXVKYLSQ-SFHVURJKSA-N 430.339 4.801 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 807468485 VLUQVEJXCPSZGW-IBGZPJMESA-N 428.479 4.605 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccccc1O 1083997467 IVQFIWNWZSFMRX-UHFFFAOYSA-N 446.536 4.621 30 10 IJEE C[C@@H](NCC#CCN[C@H](C)c1nc(C(F)(F)F)cs1)c1nc(C(F)(F)F)cs1 1117097081 KEXQLOKMWPINJC-NXEZZACHSA-N 442.454 4.642 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1oc2c(C)cc(Br)cc2c1C 1124583705 STTCBNKXDZVTMG-UHFFFAOYSA-N 427.298 4.980 30 10 IJEE C#CCOc1cccc(OC(=O)C[C@H](C)CCc2ccc(I)cc2)c1 1125909284 OAZUKOOPLFUMOM-MRXNPFEDSA-N 448.300 4.868 30 10 IJEE N#Cc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)cc1Br 1128803428 GFAQIVBYMBPILI-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H](CCOC)Cc2cccc(Br)c2)cc1 1129378942 DZCHQTUVJGPVDF-IFMALSPDSA-N 443.385 4.930 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)s1 1137724404 HSCXZENLYZYFHO-BLLLJJGKSA-N 428.982 4.606 30 10 IJEE N#Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2O)ccc1Oc1ccccc1 1155062987 GUVJNRYCQKIFAW-UHFFFAOYSA-N 432.386 4.772 30 10 IJEE COc1cccc([C@H](CNc2nc3c(c(C#N)c2C#N)CCCCCC3)N2CCCC2)c1 1184562564 AWNUERLJRFTPHP-VWLOTQADSA-N 429.568 4.742 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cccc(CN2CCOC2=O)c1 1219084217 HWCHSBOGLOPUAE-UHFFFAOYSA-N 446.301 4.610 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)c(Cl)c1 1220235252 RPXVPCPVYAJUGL-HXUWFJFHSA-N 433.733 4.599 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 1223818274 FORFMKSMDOEMRI-HJNYFJLDSA-N 427.589 4.573 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(SC)cc2)C1 1255363623 LRGLEZPAIUONLU-HXUWFJFHSA-N 441.572 4.579 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(-n3ncc4ccccc43)cc2)CCCN1C(=O)OC(C)(C)C 1266546481 RTVHEJLKEOZWDU-AREMUKBSSA-N 445.519 4.724 30 10 IJEE N#Cc1ccc2c(c1)N(C(=O)c1csc(-c3ccc(Cl)cc3Cl)n1)CC(=O)N2 1274999409 COHKZEHAYLIOIE-UHFFFAOYSA-N 429.288 4.587 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCC 1286303796 DAHZUOYIVSJCTE-ICSRJNTNSA-N 446.064 4.946 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1286431386 WXNPCQXAYBBWHC-AZGAKELHSA-N 430.596 4.642 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1csc(C)n1 1286437746 LPAYZQASOZZVBC-HNNXBMFYSA-N 425.627 4.599 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(c2ccccn2)CCC1 1286454440 XFOXIJMDAPQPIW-LJQANCHMSA-N 433.531 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](CC)C1 1286554200 SQJXHXRXDQGMON-MSYCTHLASA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCN(C)C1CCCCC1 1286583914 SJJXUAXOIRHBAB-UHFFFAOYSA-N 434.632 4.948 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CCOC)C1 1286603061 KQZKAOJDFXHWGV-MRXNPFEDSA-N 439.387 4.707 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1286661590 HKYVPUQTLFIDQS-UHFFFAOYSA-N 441.963 4.589 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)C1CCCC1 1286717383 WEMLIHYQAUJUEC-UHFFFAOYSA-N 432.616 4.849 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C#N)cc1)c1cccnc1 1287154981 CIPOCMAWGXNCEH-QHCPKHFHSA-N 439.567 4.626 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1288557901 GUWVGXURZMVNBW-ICSRJNTNSA-N 435.597 4.620 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C(C)C)N1CCCC1 1300275502 VMDAMHGRAVSBNP-MDNUFGMLSA-N 437.632 4.613 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC(C)C)C(C)C 1300409869 VUZMHTDEFNIEQF-FQEVSTJZSA-N 431.625 4.677 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CC[C@H](F)C1 1300509614 QJKGBEUDFDQQLM-ZVDOUQERSA-N 442.966 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1300780300 PAOUMLOTXJNBKC-VAPDBKPJSA-N 435.616 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(CSC)c1 1300790551 SHDSMNLZZLAQSN-HSZRJFAPSA-N 438.000 4.897 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1300971463 AIRSGGMVFLJCDK-JPYJTQIMSA-N 437.563 4.740 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C2CCCCC2)N(C)C)CC1 1301086361 IXRHSDSMOHABAX-HSZRJFAPSA-N 443.586 4.814 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCc2oncc2C1 1301177328 XXDNFCKLZYQITQ-UHFFFAOYSA-N 442.361 4.923 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@@H]1C 1301186422 YEMIYIASAUYDDI-MOPGFXCFSA-N 434.588 4.656 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 1301267617 FYNZKKDTGDKBSW-BGYRXZFFSA-N 430.957 4.772 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1CC(F)(F)CNC(=O)OC(C)(C)C)C1CC1 1301321175 YKKUPIJAXJRULB-UHFFFAOYSA-N 447.530 4.568 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1(O)CCCCCC1 1301354645 FMOWXODOCYPEBX-UHFFFAOYSA-N 449.574 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)C(C)C 1301406139 ONVRNNJSMOSNOF-SANMLTNESA-N 445.567 4.728 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1CC(C)(C)C1 1301416090 AMAPDJCVEDIMPZ-UHFFFAOYSA-N 433.394 4.783 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@H](OC)C(C)(C)C)C1 1301543976 ROINWAQPBLLPBA-CVDCTZTESA-N 449.599 4.644 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301618761 XXNXDOIWVOVKNG-GOSISDBHSA-N 449.546 4.979 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CC)C1 1301619925 AHVRPUMXINZVDX-KRWDZBQOSA-N 439.050 4.758 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)C(=O)OC 1303686809 MOGSOWWMXVRVOO-HXUWFJFHSA-N 437.927 4.820 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H](CC)C2)cc1 1310129711 CADCWSAVIHUHAA-XXBNENTESA-N 441.597 4.541 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1310462192 AEFXPGSRJDPRHO-CQSZACIVSA-N 428.464 4.785 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(OCC2CC2)nc1 1310862716 SLRZMSPCZLMVAA-UHFFFAOYSA-N 432.318 4.519 30 10 IJEE C=CCCC1(CNC(=O)NCCc2ccc(I)s2)CCCC1 1311831287 MPONUHZNKARNHN-UHFFFAOYSA-N 432.371 4.721 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@H](C)c2ccccc2F)c(C(=O)OCC)c1C 1353746772 SLXBPAYFKLZONB-ZDUSSCGKSA-N 433.501 4.847 30 10 IJEE C#Cc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)nc1 1354039988 SDHKRCGZTPTTIO-DEOSSOPVSA-N 429.589 4.777 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 1354182623 FIUBHLLZHHTSJS-UHFFFAOYSA-N 431.923 4.962 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(OCC)nc1)c1ccc2c(c1)OCCO2 1355190864 UHSBOLBWTWVGLI-UHFFFAOYSA-N 446.503 4.663 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C)c1ccccc1 1357221017 VVCCJUZLABGKCW-YKSBVNFPSA-N 440.609 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCSc1nccs1 1358872418 ULECCLQOKCJCAM-CVEARBPZSA-N 445.589 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccncc1 1358872588 WMEQSXBIKMDYBL-MOPGFXCFSA-N 437.975 4.784 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1358913919 CGKMDKZMZVGXQC-RTWAWAEBSA-N 429.008 4.966 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1358923356 KYFKPHDFFMDNLI-VQIMIIECSA-N 434.506 4.812 30 10 IJEE C#CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccccc1Br 1358936022 AIDUBMFCJNSKTC-INIZCTEOSA-N 447.287 4.641 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1359094122 XITPRWZPPLIJIX-YTXYEVPYSA-N 445.405 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359095020 JAOBWPXUFQVOHT-ZRBLBEILSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCC2)n1CCc1ccc(OC)c(Br)c1 1359112450 KCIIBLIJSJWFOL-UHFFFAOYSA-N 433.394 4.962 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cc(Br)ccc1OC 1359112686 QFUKCLKPRQMHRE-IBGZPJMESA-N 449.393 4.742 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359146735 IHRUPADBUKBXSA-TZIWHRDSSA-N 444.023 4.795 30 10 IJEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1359168489 WPSABIHABLTONY-OALUTQOASA-N 436.526 4.665 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(Br)c1 1359188497 OWHWUVHJLLAQSV-KRWDZBQOSA-N 433.394 4.783 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 1359220950 NNDDPRKDGLQAKZ-FQEVSTJZSA-N 430.618 4.797 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)CN1CCCC1)C1CC1 1359247688 LVQSNZICFXJTJD-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H](OC)C(C)(C)C 1359255948 PGLMPNRCHSKGCR-QFIPXVFZSA-N 433.556 4.972 30 10 IJEE CSc1nc(O)c(C(=O)Oc2c(Cl)cc(Br)cc2Cl)cc1C#N 1360167328 OPYZBUDAORFOMM-UHFFFAOYSA-N 434.098 4.669 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2[C@@H](C)CC[C@@H]2C)c1 1435510243 PEVSFBKDPVOJIO-IRXDYDNUSA-N 432.973 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(COc2ccccc2Br)cc1 1436070551 BDWPJCWOWPWRRQ-NQIIRXRSSA-N 430.342 4.739 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CCOC)Cc1cccc(Br)c1)c1ccc(Cl)cc1 1436647340 BKSBBTURNAHWBX-FXAWDEMLSA-N 434.761 4.788 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 1440890825 CEJYZODSFGKADB-OAQYLSRUSA-N 427.504 4.698 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 1455951603 XYVAOCSSGUHXJW-UHFFFAOYSA-N 435.527 4.928 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)c1ccccc1 1456900557 YPZWHFFWNFNILB-PMERELPUSA-N 442.924 4.960 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(-c2ccncc2)cc1 1457339288 AWULNYXLEZZGKY-KKSFZXQISA-N 444.922 4.504 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)cc1C#N 1458154170 GWFVRKPSUPVMRW-LBPRGKRZSA-N 448.292 4.846 30 10 IJEE N#Cc1cc(Br)cnc1N1CCC(Oc2cccc(Br)c2)CC1 1458308042 CGEJFHAONUXMEE-UHFFFAOYSA-N 437.135 4.526 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1460792840 YLECOWFFSBBFRU-SXGZJXTBSA-N 443.906 4.974 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C)C(C)C 1467586935 DWLHYYUILYTKSS-BJKOFHAPSA-N 432.564 4.714 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1468788241 VTQXUTZRTMCVRG-JOCHJYFZSA-N 428.598 4.698 30 10 IJEE C=C1CCC(CNC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 1469114481 NUXJIPCYMWHFTC-JOCHJYFZSA-N 448.535 4.503 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 1478461152 IJKGDYUYQOBZTE-RUZDIDTESA-N 428.532 4.911 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)c1ccc(F)c(F)c1 1478472828 VEIZFLUFSZHEIN-WMZOPIPTSA-N 441.247 4.917 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1 1478480043 ZVLXPGQZXZPICE-DHIUTWEWSA-N 448.954 4.515 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 1478896773 QGKDNNXPXYSYDI-BJKOFHAPSA-N 434.923 4.626 30 10 IJEE Cc1cccc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CC#N)CC2)n1 1492530418 CUGDYTYFNZGEOS-UHFFFAOYSA-N 434.975 4.599 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(CC)CC)CC1 1499441664 FKWSTKAUPHLAHX-JTHBVZDNSA-N 434.632 4.954 30 10 IJEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1504479821 BICQXVIZBMIXCT-CEXWTWQISA-N 433.478 4.726 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCC[C@H]1C 1507680384 AINYDLUEGPMTCW-MRXNPFEDSA-N 428.005 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCn1ccnc1C 1507681951 DZVUYWSNQWTFAB-UHFFFAOYSA-N 436.629 4.720 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)Cc1cccs1 1507699285 BEVZYOIBPWLFPU-GOSISDBHSA-N 433.556 4.992 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC[C@H](C)C2)CC1 1507878356 VIMADYXKURRPAR-ROUUACIJSA-N 426.561 4.564 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1507902066 BFSMQTUPXDVYBS-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCSC1 1507929756 UYWUXUCBXZCRCF-SFHVURJKSA-N 428.602 4.652 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1507988116 PPDMNKXAQQMONH-PMACEKPBSA-N 441.595 4.832 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CC)CCOCC1)C1CC1 1507991312 UWLYPXNSEPUGDS-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1508038396 IZODKBIFOLCAQQ-LADGPHEKSA-N 440.632 4.657 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)CCc1nccs1 1508105246 QFXKAAXFYGKPAF-UHFFFAOYSA-N 425.602 4.615 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCOc2ccc(F)c(Cl)c2)C1 1508129811 FJIYKZKHIGKHSW-IBGZPJMESA-N 448.970 4.664 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccc(C)o1 1508147485 KTESHMVFXPWKNX-UHFFFAOYSA-N 439.585 4.604 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC=C(COC)CC1 1508151143 VSAVAZFXRBNJLM-QGZVFWFLSA-N 444.670 4.834 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCc2sccc2[C@H]1CC 1508163167 UGHAXROIUYYTIW-LJQANCHMSA-N 425.627 4.758 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CCCS1 1510271379 FLZVBSIVLUTKLG-ZHRRBRCNSA-N 429.565 4.583 30 10 IJEE O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 1523465576 HFESYMPGKFFRJJ-HOCLYGCPSA-N 448.338 4.657 30 10 IJEE CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1scc(C(C)(C)C)c1C#N 1527545359 DNROSHPFJSICEV-HXUWFJFHSA-N 436.581 4.721 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C(C)(C)C)cc1 1529499133 CIBDNWLKTCLMCK-HSZRJFAPSA-N 434.580 4.931 30 10 IJEE C=CCC[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 1534435218 SBJVLULNINTNBL-GOSISDBHSA-N 432.442 4.645 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(I)c(Cl)c1)c1ccc(Cl)cc1 1535469396 ZGHHNVIEMLXHMI-OAHLLOKOSA-N 430.072 4.702 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)C3CCCCC3)CC2=O)cc1 1536888980 CCIYOYAQUZNKNK-QPPBQGQZSA-N 449.982 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OCC 1538970608 CVUQMGNEGLAUFC-ZWKOTPCHSA-N 432.996 4.961 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1CCCC[C@@H]1C 1539359643 MRHRWFMGJVBXJJ-NRFANRHFSA-N 430.600 4.607 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C)[C@@H]1CC 1539607267 AYISXQUZXYABKJ-YJBOKZPZSA-N 433.394 4.953 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 1539621672 SFDYBTZWRKJBTA-QFBILLFUSA-N 448.409 4.787 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1539840651 ZLTXXCIDUOSZKA-NFBKMPQASA-N 440.588 4.570 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(COC)CC1 1539952444 CXGFWERVMVOEFL-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@H]1C(=C)C 1540133905 PHYMWARKVJIYAS-URXFXBBRSA-N 449.624 4.808 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)C[C@H](C)c3nccs3)nnc2C(C)(C)C)cc1 1540878588 BQGRZBJQHRUQPH-KRWDZBQOSA-N 425.602 4.885 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1c(C)noc1C 1540910427 AYKCPEMUFGANJZ-UHFFFAOYSA-N 435.956 4.898 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2nc(C(C)(C)C)cs2)o1 1542330213 BJCPCOGVDVNUHH-QHCPKHFHSA-N 438.601 4.973 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1545619079 AFNMLQUOYAMGFQ-SFHVURJKSA-N 440.592 4.556 30 10 IJEE CCOc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CC1CCC(F)(F)CC1 1547995689 BZPCHKOXDXYKGO-KRWDZBQOSA-N 447.530 4.677 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1556782000 UCERGJDVBVCSHL-SPEDKVCISA-N 449.389 4.713 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)OC 1558381397 ISLRXHRSKOYRRM-UXHICEINSA-N 446.341 4.583 30 10 IJEE C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1562302416 QFVMNDXESJCGFM-FQEVSTJZSA-N 445.560 4.673 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(OCC3CCCCC3)c2)cc1 1565872952 MOODCKBTOAARLF-UHFFFAOYSA-N 442.581 4.671 30 10 IJEE CCOC(=O)CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H](C)c1ccccc1 1584238990 HGBUXVDNEAKOLB-HXUWFJFHSA-N 442.515 4.904 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1cccs1 1588280003 DHZIIJNDGYRKFD-HSZRJFAPSA-N 440.638 4.704 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(C(C)C)CC1 1589557122 GTNPJRZIGBQAGY-RDGATRHJSA-N 438.616 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC(C)(C)N1CCC[C@@H](C)C1 1589669081 JNFBPMXPOUVPNS-OAQYLSRUSA-N 439.648 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1CCN(C2CC2)CC1 1589687448 GECQICPSCIXESG-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1589687832 QBHFVUKHHRNGTH-YADHBBJMSA-N 425.621 4.688 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1594014183 POOMDTCTLTWPME-ACRUOGEOSA-N 440.588 4.788 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCCN2CC)CC1 1594035078 BKRJCVQENUADFF-LJQANCHMSA-N 431.531 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1594511996 YWYZPSLTPPPFQN-UHFFFAOYSA-N 439.995 4.558 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1cccc(F)c1)C1CC1 1595062099 HXNODTUSQQQBMY-UHFFFAOYSA-N 425.577 4.906 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1CC 1595148867 AIBYKYLPWVXXSZ-SFHVURJKSA-N 443.020 4.732 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCOC[C@@H]1C 1595161866 NZJIKDCMIVVQBW-WMZOPIPTSA-N 443.642 4.561 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1595700763 RLRKNNPXPYARFZ-WAOWUJCRSA-N 430.980 4.585 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccccc1Br 1595814703 MLKFYBADZVVIBV-BBRMVZONSA-N 445.785 4.532 30 10 IJEE C#CCSc1nc2sc3c(c2c(=O)n1-c1cc(Cl)ccc1OC)CC[C@@H](C)C3 1613128736 AMBKWRYCVWXGEU-GFCCVEGCSA-N 430.982 4.959 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2sc(C)c(C)c2c1=O 1613269857 PCUSGXKOFRLKKX-BQGCOEIASA-N 433.643 4.682 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2cccc3c2OCCO3)ccc1Cl 1615405277 AYIFTBBZMDEWSR-OAQYLSRUSA-N 439.943 4.503 30 10 IJEE COC(=O)C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccc(Cl)c1 1618420344 FIOIXBIDPQHFHB-QHCPKHFHSA-N 448.906 4.825 30 10 IJEE CC#CC[C@@H](CO)NC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(OCC)cc1 1622766051 PZYMIZZADKRWCJ-INIZCTEOSA-N 436.430 4.792 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)ccc1OC)c1ccc(Br)cc1 1622936895 HNUBIFKXCKQMBU-AWEZNQCLSA-N 438.119 4.716 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC(Cc3nc(C)c(C(=O)OCC)s3)CC2)c1 1622954786 VETNENYVJFCRSI-UHFFFAOYSA-N 443.569 4.680 30 10 IJEE C=CCOc1ccc(C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)cc1OC 1623005600 PYNSKJICZZHRKS-UHFFFAOYSA-N 446.588 4.950 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCCCC1 1623170406 LEXUSYLCFLGGIX-UHFFFAOYSA-N 433.524 4.529 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CN(C(=O)OC(C)(C)C)C1 1624615761 NOWNKMOOHAGAFC-GOSISDBHSA-N 448.991 4.771 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)CCC#N 1625356099 CDDPLRXFHAICIB-DEOSSOPVSA-N 431.536 4.622 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN3Cc3ccc(F)cc3)cc2)c1 1627919298 DCUIXWULXDCYRH-RUZDIDTESA-N 429.495 4.879 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 1630314327 LNTNHUWIDLHLMT-UHFFFAOYSA-N 432.167 4.751 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 1636337034 VVYOICJWYZQIFO-UHFFFAOYSA-N 447.605 4.805 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1649538246 BADDWBOSJIQZNH-RUZDIDTESA-N 433.556 4.946 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 1650669711 BRDURHHXULZKSB-SFHVURJKSA-N 436.622 4.563 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540605 VNMWNOQKTVDBEU-GFCCVEGCSA-N 444.578 4.749 30 10 IJEE C=C(C)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1-c1ccc(OC)cc1 1651640278 MIDKAJZKIQSQLT-UHFFFAOYSA-N 445.610 4.733 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@H](Cc3ccc(F)cc3)C(=O)OCC)o2)cc1 1652714759 KPNPCYGGBOZLTH-LJQANCHMSA-N 428.485 4.707 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@](CC)(C(=O)OC(C)(C)C)C2)cc1OC 1653032716 HHOMUGDHOCJGRJ-BMGIKKBBSA-N 429.557 4.634 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCSC[C@@H]3C3CC3)c2C#N)C1 1653665713 HPMKUSHZFBWZMU-QFBILLFUSA-N 431.671 4.927 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](CC)c2cc(F)cc(Br)c2)cc1 1658516196 IJIKYSVUMLPWCW-GOSISDBHSA-N 434.309 4.777 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OCCCCC)cc1)c1ccc(Br)cc1 1663548523 MKNAOTINYARKAQ-HXUWFJFHSA-N 436.371 4.671 30 10 IJEE CCN(Cc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C#N)c(Br)c1 1666660192 HPUKRKNNOBCOOO-UHFFFAOYSA-N 429.339 4.685 30 10 IJEE CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1667907682 HACYUCCOSJRKAD-FQEVSTJZSA-N 436.512 4.825 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc2ccccc2cc1C(=O)OC)c1ccc(F)c(F)c1 1668689340 LFZLZISNRWSGLN-OAQYLSRUSA-N 431.460 4.500 30 10 IJEE C=CCCCCCCCNC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1 1673407214 XJHPCFRWPOVAEI-UHFFFAOYSA-N 437.304 4.716 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(Br)s1)c1ccc(Br)cc1 1674025809 NEORGNHYQWLVRI-AWEZNQCLSA-N 442.176 4.789 30 10 IJEE C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 1675797573 CEEMXIRBTBKPLF-NHCUHLMSSA-N 430.596 4.910 30 10 IJEE CC(C)CC[C@H](CO)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1677312185 BLLLNMGCFVUVSO-OAHLLOKOSA-N 440.491 4.543 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCOC[C@H]1c1ccc(F)cc1 1678356094 LKGSENFDBJPBMB-SFHVURJKSA-N 435.293 4.758 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2ccc(OC)cc2C)c2ccccc2Cl)CC1 1679340217 RQUDQNIQHQYHHV-QFIPXVFZSA-N 428.960 4.859 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)c1ccc(F)c(F)c1 1681779777 RNACHXBAASMVEC-JOCHJYFZSA-N 449.929 4.642 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1683106397 GHLIDYUPRJBNLG-HSZRJFAPSA-N 437.584 4.910 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CCSC 1689918219 VKIZINFUTMBTCA-CYBMUJFWSA-N 427.437 4.760 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1C 1690088713 ULMKQUXYXUTMKC-UHFFFAOYSA-N 446.917 4.524 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@@H](C)C1 1690095988 KVXABNRMCMZIRM-QYZOEREBSA-N 426.630 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ncc(CC)s1 1690193929 VYDYJJKUCURRIE-WAIKUNEKSA-N 439.560 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1690236514 NWNZZIJPODYBHV-TYPHKJRUSA-N 430.980 4.614 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690457164 SCIWDEAHOUEJGB-QZTJIDSGSA-N 446.437 4.983 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690602315 LRPPNQGWVOYZKN-FGZHOGPDSA-N 432.616 4.629 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 1692369376 CINRLEBFIUXHNB-SFTDATJTSA-N 434.632 4.810 30 10 IJEE CCc1cnc(Cn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)s1 1694571198 FFMWXXPPQPKNPU-UHFFFAOYSA-N 432.597 4.808 30 10 IJEE CCOc1cc(C)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1696105842 HQWAXDXEKXINHJ-SYYKKAFVSA-N 439.604 4.691 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CCc1ccc(Br)s1 1705499277 OMEYXABSXVDVMO-MRXNPFEDSA-N 443.414 4.588 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1705527155 RUBQNQMPLFBXLM-UHFFFAOYSA-N 430.600 4.774 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC1CCCCC1 1705611803 PSMQJOGWSDUXEC-UHFFFAOYSA-N 433.556 4.799 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](OCCC)CC1 1705654465 JOLODVRRFUQWJT-HXUWFJFHSA-N 438.597 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)CCc1cccs1 1705699375 GFZWLAJRTRATBD-KNQAVFIVSA-N 437.613 4.760 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1cccc(C)c1 1705705287 GAHXGOAPLTTZCY-WIOPSUGQSA-N 438.616 4.816 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](OCC)C1 1705722505 PDQGVBXENJBXEQ-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1705734846 COWMJUDBOVVHNM-DEOSSOPVSA-N 437.632 4.629 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](SC)C(C)(C)C)CC1 1705772317 MLPBTMVMNCPSCJ-FQEVSTJZSA-N 430.618 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1705791562 ZCNYZIWOMVMIHW-UHFFFAOYSA-N 439.579 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCCN(Cc2ccccc2)CC1 1705793071 LJHPLJKNODIVIV-UHFFFAOYSA-N 444.627 4.579 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC[C@@H]1C 1705817194 FBWUBENGVKXKDZ-HSALFYBXSA-N 431.625 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC[C@H](C)N1CCCCC1 1705836611 YZJXDVLGLUFSLR-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCSC1(C)C 1705858409 WQQDKPLPDPPICE-PZJWPPBQSA-N 442.629 4.863 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cc(C(C)(C)C)no1 1705875374 PQVQKWFJOMLAFX-UHFFFAOYSA-N 430.556 4.862 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[C@@H](C)C1 1705942198 KBTLCKAMWCWQTG-STQMWFEESA-N 427.437 4.781 30 10 IJEE CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC1CCN(CC(F)(F)F)CC1 1709593725 GILGZXTWFRQHLC-UHFFFAOYSA-N 448.537 4.717 30 10 IJEE CS[C@H](Cn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)(C)C 1712741004 ALUOFGAKCUIQPO-HXUWFJFHSA-N 444.624 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnccc1OC 1722285780 XKGKAINABKGBOJ-INIZCTEOSA-N 447.539 4.723 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722310563 LTZPYXMCQGTWEW-DHIUTWEWSA-N 446.599 4.779 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1722340642 DLNGMNFKUQEDIV-DNQXCXABSA-N 449.643 4.554 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCO[C@H]1CCCC[C@H]1C 1722414930 GBRRYTVQODSYGX-NQIIRXRSSA-N 430.980 4.565 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC=C(Br)C1 1722542995 JYQCDDARULTVNZ-CYBMUJFWSA-N 441.732 4.799 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1Nc1cnn(CC2CCC2)c1 1722554366 NPSJNNSWYIQHRF-UHFFFAOYSA-N 426.952 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1722562658 HIKVWZXVESFRJB-MBSDFSHPSA-N 429.012 4.660 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1722604531 CVVRQAVWIKVVAC-QHCPKHFHSA-N 447.631 4.659 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1722651338 JCCSVDNAVUFETF-UHFFFAOYSA-N 436.629 4.806 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCc1sc(C)nc1C 1722658654 ZHJFJBICGUEVRM-UHFFFAOYSA-N 432.597 4.792 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1726965438 FSEIUJGFNIUJJX-BTYIYWSLSA-N 435.494 4.997 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)CC1CC1 1740753459 KGGVXVHTEBPTDS-VQIMIIECSA-N 448.409 4.643 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cc(C)on1 1740869456 NUFYKBJOLPHNNT-UHFFFAOYSA-N 430.350 4.915 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCOC[C@@H]2C)c1 1742150657 AFMBCJKZQFQDNT-HBMCJLEFSA-N 439.604 4.700 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1748751087 BQIITEWCOINBQS-UHFFFAOYSA-N 430.618 4.656 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N(CCC(F)(F)F)CC1CC1 1748753676 RFERBSGFCJFWSC-UHFFFAOYSA-N 426.433 4.729 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CCO[C@@H]1C1CC1 1748834324 JHNNGYWRKFDKAJ-OFNKIYASSA-N 443.378 4.530 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749280266 FWAKOJCJKJCEOW-FQEVSTJZSA-N 440.979 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)s1 1749359300 ZIAWIHXHOVUBKD-UHFFFAOYSA-N 449.422 4.741 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749408407 IJMDPCMNPVMVCV-VQTJNVASSA-N 447.624 4.569 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1CC1(C)CCOCC1 1749591232 OOXVMJGRZZGEIW-UHFFFAOYSA-N 438.547 4.653 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749745014 TWIXMVIECJKBBR-KAGYGMCKSA-N 444.645 4.815 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccco1 1751258181 FVGIKSJQMKTKLI-INIZCTEOSA-N 425.920 4.843 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760141583 ZXWOGMXEAWMFJB-UHFFFAOYSA-N 446.517 4.605 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(OC)CCC(C)CC1 1760211924 ONAIZVFSJGMYGS-UHFFFAOYSA-N 444.623 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(N(C)C)nc1 1760334589 FUQVKQOAJIBSMG-UHFFFAOYSA-N 443.555 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCO[C@H]1C(C)C 1760336861 KNNRXWOEWXZOET-OIBXWCBGSA-N 440.588 4.644 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)[C@@H]1C 1760342234 BQTCQJVOSNKHJM-STQMWFEESA-N 425.371 4.753 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCCOC1 1760351779 LVGQQVCSEUDOIN-LJQANCHMSA-N 444.645 4.731 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1760388469 NNYCRWUYGSMXRL-JOCHJYFZSA-N 430.600 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1760414390 PJOGEDDXNZFRQG-JOCHJYFZSA-N 431.584 4.869 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1760422044 HPMKUKBCAIBPFV-MJGOQNOKSA-N 426.561 4.706 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1760444178 ZLXQYNMDYWNLAP-PMACEKPBSA-N 449.020 4.574 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1760457742 FLDWKZPTOYAVPV-HXUWFJFHSA-N 427.593 4.679 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCC[C@H](C)C1 1760478798 SAEMPOBCAHCBJW-LEWJYISDSA-N 434.632 4.760 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1Cc1cccs1 1760479786 APRFTBCVAACCSB-UHFFFAOYSA-N 446.605 4.808 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCS1 1760480304 QTJKJVKNOQGZPG-RUZDIDTESA-N 444.608 4.614 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@H](C)C1 1760499491 ZSHWUSIHDIJQAH-FYYLOGMGSA-N 433.600 4.724 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](COC(C)C)C1 1760507758 DAJWJDDXTAGHLR-LJQANCHMSA-N 442.560 4.629 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCc2cccc(C)n2)c1 1761710436 DGGBBZWVIKGURU-FQEVSTJZSA-N 446.599 4.831 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCc2ccccc2C1 1763605808 FMYRGFBLFTWQNQ-HXUWFJFHSA-N 434.632 4.759 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(CC)(CC)OC 1765071341 HNTJERNGFYVDCA-UYAOXDASSA-N 425.577 4.559 30 10 IJEE COc1cc(/C=C2/SC(=Nc3cccnc3)N(C3CCCCC3)C2=O)cc(OC)c1O 1772732509 XQANGVKIKNWMDB-UFDKDONYSA-N 439.537 4.741 30 10 IJEE Cc1ccc(-c2ccc(/C=C3/SC(=Nc4nnc(C)s4)N(C)C3=O)o2)c([N+](=O)[O-])c1 1772736188 JXEKNOKSGKLGOD-DKJPCFDGSA-N 441.494 4.557 30 10 IJEE CC[C@@H](Oc1ccccc1/C=C1/SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(=O)O 1772763410 POMBFGGDMUYPIV-JMBBSIAXSA-N 440.521 4.567 30 10 IJEE CCCCCCCCn1cc(O[C@H](C)C(=O)Nc2ccccc2C)c(=O)cc1C(=O)O 1857890435 WPLRZTJGVSIRLX-GOSISDBHSA-N 428.529 4.621 30 10 IJEE COc1ccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccc([N+](=O)[O-])c2)cc1 1859412190 PJRLFTRWUPPOQU-UHFFFAOYSA-N 439.431 4.580 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C 1862379473 CGSSWUQEESAWNN-LJQANCHMSA-N 434.319 4.917 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc(F)cc1F 1862414509 BHQMTMAPBXJETL-HXUWFJFHSA-N 441.430 4.574 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862477012 RJEJKXANSUTHHY-DEOSSOPVSA-N 443.499 4.617 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)ccc1F 1862503042 OIKLHONDRFKFHC-NPMXOYFQSA-N 447.462 4.885 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1c(F)cccc1Cl 1862528414 WKKISCPDUUYQJS-INIZCTEOSA-N 438.680 4.840 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2F)cc1 1862534376 RHQUWXSRHWRFFR-JOCHJYFZSA-N 434.442 4.701 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862597453 MYPAGLYIIZRAEA-OAQYLSRUSA-N 435.501 4.631 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862659718 CVLAAEUNQGJWPY-HSZRJFAPSA-N 429.520 4.663 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 1862686995 DVBTZZSLEIPHIB-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(CC)cc3)C2=O)cc1 1862827907 NIYNJMJTEOKFOL-UHFFFAOYSA-N 437.499 4.916 30 10 IJEE CCCC[C@@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867709035 YZMHVMSDJVEWFW-RPWUZVMVSA-N 435.568 4.700 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)/C=C/c1ccc(F)cc1 1870141443 RJELWIYZQQIFQK-OVCLIPMQSA-N 439.450 4.509 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871371198 SASUALZUVALSJB-XKZIYDEJSA-N 444.443 4.805 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3C2=O)cc1 1871453997 CVIMQCMONAMPCR-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@H](C)CC)cc2)=C(c2ccccc2Cl)C1=O 1873194689 DTWWDJOGUMZPJV-OAHLLOKOSA-N 438.911 4.673 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874334106 HHKWLIVZGUVCDU-RVWJGDDESA-N 447.608 4.794 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874381321 NCVCHVPYMHPRCX-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1F)Nc1ccccc1 1874415630 ZUFQRRYVVYKDJN-WGOQTCKBSA-N 445.523 4.621 30 10 IJEE Cc1cccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2cc(Cl)ccc2O)c1 1874447470 CTKQJKLPOUNWCJ-DOUQRPAJSA-N 428.945 4.972 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C)cc1 1874456340 MIPUFFZTBVDFPL-LFVJCYFKSA-N 427.618 4.867 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 1874466087 QPZXAUKHXAQOIT-OEAKJJBVSA-N 448.508 4.687 30 10 IJEE COCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874470119 OAOWHOUHQLAQPT-BRJLIKDPSA-N 438.450 4.799 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2c[nH]c3ccccc23)cc1 1874483702 INCUMOHKUZAAFM-VULFUBBASA-N 446.580 4.978 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2F)c1C 1874510286 KWUCSWYQFHKHKB-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874528697 WZNSCEPAPGPUGT-LSFURLLWSA-N 438.315 4.645 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)c1 1874594190 XJJIOUDUHDRDIB-WUXMJOGZSA-N 435.451 4.757 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1874609262 HMOGYCYFPMAPHI-WLRTZDKTSA-N 446.459 4.825 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c1 1874610455 SZLJPCGBLONLFX-MDZDMXLPSA-N 432.900 4.831 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2ccccc2Br)c1 1874721624 ZATQBXALWFKIHT-UHFFFAOYSA-N 427.342 4.948 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)c1 1875102562 XDVGNWXLGRRJFW-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 1875118036 NHJAYQQHSUXJKH-XNTDXEJSSA-N 446.459 4.785 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(Br)c1OC(=O)COC 1875139811 BGESPOVOWZNXIP-CMDGGOBGSA-N 447.325 4.913 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3ccc(Br)cc3)n[nH]2)c1C 1892118844 WYEYIEVGDULTLV-ZDUSSCGKSA-N 442.361 4.720 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 1922057893 QRQPGPLQTUBHEI-PMIMVTRFSA-N 446.632 4.524 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1997233352 KMNJFHBQHQZNKX-IERDGZPVSA-N 436.557 4.853 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CC[C@@H]2CNC(=O)OC(C)(C)C)c1 2006111436 GCJKLCTYYJNTHF-WAIKUNEKSA-N 431.533 4.634 30 10 IJEE CCc1nc(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(C#N)cc1C 2037906296 GKUXNZJNXVFRGF-UHFFFAOYSA-N 426.564 4.707 30 10 IJEE CC1(C)OB(C2CC(NC(=O)C3CC4(CC(OCc5ccccc5)C4)C3)C2)OC1(C)C 2045334807 LSLFSTDGEBNORS-UHFFFAOYSA-N 425.378 4.503 30 10 IJEE CC1(C)OB(c2cnc(N(Cc3ccccc3)C3CCC3)c(C(F)(F)F)c2)OC1(C)C 2052616920 WRJAFNCREDERSR-UHFFFAOYSA-N 432.295 4.959 30 10 IJEE CN(C)Cc1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079172883 FFNPAVUFJYSOFG-UHFFFAOYSA-N 448.180 4.932 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc(Br)c2C#N)C(F)(F)CC1 2106010416 NIIVKRMGXAVVPR-OAHLLOKOSA-N 430.293 4.767 30 10 IJEE N#Cc1cc(N[C@@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)ccc1Br 2156351462 HRHWIARIWBPCBP-FQEVSTJZSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cccc(Br)c2C#N)[C@@H](C(F)(F)F)C1 2163252856 DEVZHZIVMLPQOH-AAEUAGOBSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(c1cc(Br)c(C#N)cc1F)CC2 2174769581 KZFODTLQIWRSTJ-GJZGRUSLSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CC1 2180986860 IIUCAGIKPGOXCG-UKRRQHHQSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@@](C#N)(C3CC3)C2)ccc1Br 2181053417 LESJTBXGFVDORI-FQEVSTJZSA-N 434.334 4.562 30 10 IJEE CN(C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)c1cccc(C#N)c1 2181055983 OJTYJJIILXZHNV-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE C=C([C@@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221688179 LGZQLDFNYDVMMZ-DLBZAZTESA-N 427.459 4.646 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](N)C#Cc1ccccc1Br 2235721435 INBJIMHQOXXLSH-BJLQDIEVSA-N 435.406 4.657 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C#Cc1ccccc1 2237413440 GILCQLMSZUFHQU-IBGZPJMESA-N 428.326 4.506 30 10 IJEE C#CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243924604 IVNGHQJOSCULNR-FTJBHMTQSA-N 444.575 4.858 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 2249368410 RAFHOGKGQRURPN-HQWLIXQVSA-N 433.593 4.999 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255523908 LQZJBDOKRTVVBA-UHFFFAOYSA-N 425.353 4.813 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@H](O)CC#CC1CCCC1 2289924188 HVMZNIVSOYAHCM-VQTJNVASSA-N 436.390 4.830 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2294938844 YVCKRDIWGLQOAG-PIKOESSRSA-N 433.390 4.567 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296225753 YQJXPFYEHQKEKN-QRVBRYPASA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296288460 HITRYQUPPHWTIQ-HXUWFJFHSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(O)C#Cc1ccc(Br)cc1 2296288591 IYBSUDJAGDHWKK-HTAPYJJXSA-N 434.374 4.637 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296299260 SSIUGKAKUPOHLL-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccccc2F)cc1 2297063403 IAUQXWDJDFJBGH-LJQANCHMSA-N 438.480 4.696 30 10 IJEE O=C1C(=CNc2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 2297375503 XOJAOSJVBPACQF-UHFFFAOYSA-N 442.899 4.965 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)c1C 2321086085 DASUTJJBRVZTMY-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1ccc(C)cc1 2323561200 PACIONHKURUFDQ-UHFFFAOYSA-N 436.459 4.754 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)CCOc4ccccc4)c3C)C2=O)c1 2323683623 PBZMBHUDMAPPBA-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324405532 MCXMUDGLWWOFAT-INIZCTEOSA-N 444.443 4.925 30 10 IJEE Cc1cccc(OCc2nnc(SCCO)n2N=Cc2ccc(C(C)(C)C)cc2)c1C 2328869752 OFYMTRZFVURMHC-UHFFFAOYSA-N 438.597 4.738 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1cccc(OC)c1OCC 2329673672 MTBMYTONZZDYCV-UHFFFAOYSA-N 428.583 4.692 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(CC)cc1 2330045365 PIZYQOZXJCIFAK-UHFFFAOYSA-N 436.581 4.667 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)cc1O 2330979967 VMZZWIDJKYASOG-JOCHJYFZSA-N 446.532 4.869 30 10 IJEE COCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(C)C)c(OC)c1 2331577563 GOMKJPGLEZOFTB-UHFFFAOYSA-N 444.532 4.534 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CC1 2331725135 SGJKFLDNRFZSNJ-UHFFFAOYSA-N 425.583 4.755 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)C=Cc1cccc(Cl)c1 2332147646 PBZMHGDDMABLBU-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339584967 ISOUOLNGORXCND-RTBURBONSA-N 444.381 4.798 30 10 IJEE N#Cc1ccc(OCc2ccc(I)c(Br)c2)c(F)c1 2349803620 MMULBRKEICFMKP-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](C(=O)C#Cc3ccccc3Br)(C2)C1 2358671498 JEWFZSIGHMXXGW-OPAMFIHVSA-N 432.358 4.797 30 10 IJEE Cc1cc(CN2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369729066 XYVRZAHBKFTXSM-ZRBLBEILSA-N 448.460 4.778 30 10 IJEE CCCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)OCC)C3)cc1 9347635 MVBPCNPXPSHMGJ-UHFFFAOYSA-N 441.553 4.956 30 10 IJEE COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)c(Br)c2)c1 20886101 XIJULNQAXDZVSZ-HOCLYGCPSA-N 444.300 4.601 30 10 IJEE O=C(O)CCn1cc(/C=C\C(=O)c2ccccc2)c(-c2ccc(Br)cc2)n1 33875606 RLXSILDRJINLMU-FLIBITNWSA-N 425.282 4.683 30 10 IJEE C[C@@H](Nc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C#N)c1ccccc1 36627682 BIHSCBBIEUYMDP-QGZVFWFLSA-N 436.537 4.561 30 10 IJEE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(N)=S)CCC2 40824454 DNDMIPASHYJHMY-NLRVBDNBSA-N 434.521 4.506 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 100209074 GNHINPINJOCSLH-MHWRWJLKSA-N 430.869 4.792 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)no1 102697553 JMEKKGMBZSPFDF-LYHOESIGSA-N 429.259 4.916 30 10 IJEE O=S(=O)(N/N=C/c1c(Cl)ccc(Cl)c1Cl)c1ccc(Br)cc1 169902619 QHVFBPQNQUMFGX-CNHKJKLMSA-N 442.549 4.722 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)c1OC 169951445 RONCRKNLQVPYGY-OAQYLSRUSA-N 439.483 4.672 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OCC(C)C)cc1 169990272 CRMXTYRXYUIMGW-QHCPKHFHSA-N 449.503 4.692 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1 170043679 GSUNIAUHZJXTQA-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)c1 170051556 YATHXWVMBDFTOD-HSZRJFAPSA-N 441.483 4.873 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)cc1C 170144825 XKJBETNHMBAHMO-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)c1 170161821 SCPLGESKMBLLPQ-NQIIRXRSSA-N 441.549 4.540 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)cc1C 170163018 KKADXDOSZDIIPN-NRFANRHFSA-N 434.517 4.547 30 10 IJEE COc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170169369 IGKCXQJTYHHOGZ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCO2 170174066 HKUXROPGPJXREC-JOCHJYFZSA-N 446.890 4.843 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)cc1C 170174439 YYPWWMBXYQIYKC-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)c(C)c1 170203971 MZLUOXNHQVKWDA-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1 170236610 ACNVKJHBBIUBFV-OAQYLSRUSA-N 441.911 4.880 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1c[nH]c2ccccc12 170255665 SRXCZACVHYHEGF-IBGZPJMESA-N 439.309 4.919 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(O)c1 170259126 OFKWBFJMSNQIHR-JOCHJYFZSA-N 429.472 4.801 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccco2)cc1C 170280220 DHYBGPQORZRNNM-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1 170286702 FUBCPKDPNLZCDN-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2)ccc1OC 170337110 ISYXBZPMNZGIGO-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(NC(C)=O)c2)cc1 170393852 UCTQBHCELITHMC-QFIPXVFZSA-N 430.460 4.583 30 10 IJEE N#C[C@H](C(=O)c1cc(Br)ccc1I)c1ccc(F)cc1 236252453 MFAYZZKEYDFWTJ-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(O)c(N=Cc2ccc(N(C)c3ccccc3)cc2)c1 254296051 XACYZJBKIBHVLT-UHFFFAOYSA-N 437.565 4.941 30 10 IJEE CC1(C)OB(c2csc(CNC(=O)c3cccc(OCc4ccccc4)c3)c2)OC1(C)C 404928254 AYEAHAGLSVIZOD-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1cccc(C)c1 468110347 UUQIGQHWPSDXTP-QGZVFWFLSA-N 444.564 4.949 30 10 IJEE COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 478831098 DTLNPTSXTIHXGC-VWLOTQADSA-N 435.483 4.564 30 10 IJEE C=CCN(C(=O)[C@@H]1CSCN1C(C)=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 494111164 FOADSJYNLPCTMH-INIZCTEOSA-N 442.393 4.557 30 10 IJEE COc1cc(C#N)ccc1CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 500877273 VQQWNNNOEQHFIJ-QHCPKHFHSA-N 440.952 4.503 30 10 IJEE C=CCN(C(=O)c1cc(Cl)c(-n2cccc2)cc1OC)c1nc(C(=O)OCC)cs1 508603480 JONABJDXFQEHHM-UHFFFAOYSA-N 445.928 4.605 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)ccc1O 526707176 DTCBAYOUQMAFTH-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2c(Cl)cccc2Cl)cc1 526827265 MJQQAYWKQMAULQ-YVNNLAQVSA-N 435.336 4.854 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(OCC)c1 526828753 LQMQAOPYHQFOQB-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 527187943 FWCKPKDGJALTIJ-UHFFFAOYSA-N 430.426 4.825 30 10 IJEE C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)Cc1cnn(C)c1C 559003058 XXIBCXZZFHWTBP-UHFFFAOYSA-N 442.567 4.779 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C 571718631 KHEYEDZRMLLDOO-UHFFFAOYSA-N 425.876 4.962 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccccc1 574260002 SBHALHRJIJSWIU-LJQANCHMSA-N 427.508 4.761 30 10 IJEE CN[C@H](C#Cc1ccccc1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686823420 IEFOASNNYVMCLA-RUZDIDTESA-N 447.623 4.576 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1=S 728285135 IHGWDUFXUBPWRM-FQEVSTJZSA-N 434.565 4.714 30 10 IJEE CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 732065804 DIBGNYCRVKBAOX-UHFFFAOYSA-N 449.551 4.922 30 10 IJEE N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CCN1C1CC1 732698846 KXDFFNORBIUBOS-QGZVFWFLSA-N 430.430 4.702 30 10 IJEE C#CCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 733246274 LBBARYQWGNKLEB-JXAWBTAJSA-N 442.515 4.501 30 10 IJEE C=CC[C@]1(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)CCCN1C(=O)OC(C)(C)C 753423824 UGRQCMOBKHVOJG-MZNJEOGPSA-N 441.528 4.995 30 10 IJEE Cc1cncc(/C=C\C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 772062233 SERIBBUFBNCGGE-HYXAFXHYSA-N 428.439 4.980 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 779425176 CYLDXQQTCQTVEW-BRWVUGGUSA-N 432.590 4.990 30 10 IJEE COc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3ccccc3)CC(=O)O4)C2=O)cc1OC 1081804441 XAFZCTQPDQHWQI-ZFJBLLOBSA-N 428.440 4.761 30 10 IJEE C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1127561433 AILFIXGESDWPEI-VFZGTOFNSA-N 425.300 4.753 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1131708234 CQTWBMLNXRWQER-SFHVURJKSA-N 444.560 4.616 30 10 IJEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)c1ccccc1 1143127193 UZPWNCMBRHDELG-VWLOTQADSA-N 446.572 4.934 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1150621223 NAVDARJMGVTTNI-UHFFFAOYSA-N 438.531 4.903 30 10 IJEE C=CCC[C@@H](NC(=O)CCSc1ncnc2[nH]cnc12)c1ccc(C(F)(F)F)cc1 1151867887 ROQQWFVQXFANJG-OAHLLOKOSA-N 435.475 4.678 30 10 IJEE CCc1ccc(Br)cc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1156559387 CLLKWFUQXNWDKP-FQEVSTJZSA-N 446.776 4.688 30 10 IJEE C=CCC1(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CCCC1 1166840119 ZYDDZTNREXFVPN-UHFFFAOYSA-N 436.936 4.899 30 10 IJEE CCC[C@@H]1CN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CCN1Cc1ccccc1 1168434954 AXASGUMSAKMWAK-AREMUKBSSA-N 432.612 4.537 30 10 IJEE C#C[C@H](NC(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1)c1ccc(Cl)cc1F 1220502885 LDVZVZSLZOEKSJ-NRFANRHFSA-N 439.874 4.849 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)CC1 1226797040 JQZRENIPOFNGKW-OAQYLSRUSA-N 434.422 4.500 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1264038616 UALMGBRMAPNEPN-QZTJIDSGSA-N 444.622 4.884 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)Oc1ccc(Cl)cc1Br 1264834175 RYOQZRRWLQTGBA-AWEZNQCLSA-N 433.733 4.956 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OC(F)F)c(Br)c1)c1ccc(Cl)cc1F 1275498499 OPBJFWQIIGXMLO-CQSZACIVSA-N 432.623 4.947 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286295719 KIJQTZLXWSMPNN-YLAKUSLOSA-N 448.489 4.617 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286318899 SAHUEJARFLBRHY-NRFANRHFSA-N 437.588 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1scnc1C 1286560533 FYIAGMKLVUNCID-UZLBHIALSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1286561185 LYSQBDGYKCDGSP-RFWXGWTQSA-N 433.556 4.527 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1286626527 YVBDOCOPTWIJQA-HSZRJFAPSA-N 446.979 4.502 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@H]2C)CC1 1286654192 BWKPUONUQFSQIB-RTBURBONSA-N 444.023 4.958 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1286664923 LWBVQQVABQFTCT-GOSISDBHSA-N 437.613 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C#N 1286675578 PVUWERXSLLBABR-INIZCTEOSA-N 446.393 4.818 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286772233 VMMPHJDXFKXLBS-CYBMUJFWSA-N 425.396 4.739 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2CCC=CCC2)ccc1Cl 1288947034 OOSAHAOCHDRWGU-UHFFFAOYSA-N 444.984 4.950 30 10 IJEE C#CCSCC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1292774075 QFJUNJPAOJIFOV-UHFFFAOYSA-N 433.404 4.593 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1293256289 FYYULDIWDIXZIW-KIFXHHALSA-N 434.632 4.810 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1293346667 CORRFDZGIFCGJE-HKUYNNGSSA-N 437.979 4.666 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)S[C@H](C)C2)CCC(C)CC1 1299800356 CANHZXQXUHKKHO-JHFJLTJKSA-N 439.629 4.742 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1300395296 YSKDBPIDQGSPJL-QGZVFWFLSA-N 432.446 4.652 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1300422013 WIPBRAABUMPXQG-FCHUYYIVSA-N 437.632 4.621 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300443750 LIITYRJUKVQRPV-SFHVURJKSA-N 439.604 4.567 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC)(CC)C1 1300733946 ORFYNJYCTSZOPA-GOSISDBHSA-N 430.593 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCC[C@H](C)C1 1300900064 MLWNJLRIHVNJMP-VQTJNVASSA-N 429.584 4.692 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC2CC2)CC1 1300980090 KJAIXOCNQCTJLE-UHFFFAOYSA-N 448.970 4.726 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(C)C)C1)c1ccccc1 1301166187 QSXRYSXOPZGNQC-DHIUTWEWSA-N 435.616 4.633 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@@H](SC)C1 1301202061 DDHBZPVDMYCMRT-MRXNPFEDSA-N 438.439 4.734 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@](C)(O)CC 1301376252 YSZSRHMPPGZARJ-LJQANCHMSA-N 439.785 4.700 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)c2nccs2)C1 1301542001 HSKLEMFARLAVRB-CRAIPNDOSA-N 429.977 4.640 30 10 IJEE CCCCn1cc(Cn2c(-c3ccccc3Cl)nnc2N(C)[C@@H](C)CC#N)c(C)n1 1306716037 CTADFVRPUGOVSD-INIZCTEOSA-N 425.968 4.690 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nc2ccccc2c1=O 1307256009 RKFKWUWYKDFPSG-VGSWGCGISA-N 433.577 4.677 30 10 IJEE CCOC(=O)c1cccc(NC(=O)c2cccc(N[C@H](C)CC3(C#N)CCOCC3)c2)c1 1308797658 HSPIAWDSGPYOIB-GOSISDBHSA-N 435.524 4.626 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)CC1 1315251134 HWDLPEKCQSWMNO-VWLOTQADSA-N 439.604 4.950 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1 1319168699 BSSGMLDZOBESEV-LEWJYISDSA-N 441.572 4.523 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1358913840 ZRDWAQXTMNLPHD-OAQYLSRUSA-N 437.632 4.562 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OCCC)nc1 1359003564 PKINIDLCWKHPHD-UHFFFAOYSA-N 449.624 4.967 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)Oc1ccccc1F 1359014374 HCKNCEQCUHXBLV-WOIUINJBSA-N 442.579 4.653 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCCOCC2CC2)CC1 1359174608 IZXFRDXLVSDGLV-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCOC(C)(C)C)CC1 1359174954 VCUJHGNLXYOTNI-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1359185129 MCTPUFMYVJZVFS-KRWDZBQOSA-N 445.970 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1359191692 JQXJJWLREKIBFU-ZWKOTPCHSA-N 425.602 4.661 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)[C@H](C)C1CCC1 1359214106 RPNYLZQCYDPHCW-GOSISDBHSA-N 434.588 4.656 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1359229243 CFIVIIARKXGXCD-PMACEKPBSA-N 428.552 4.605 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCc1cccs1 1359276810 QOAXZOXGOOPYFJ-UHFFFAOYSA-N 429.549 4.949 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 1435028230 QJVRMAGXOPXTDL-UHFFFAOYSA-N 446.572 4.592 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2c(Br)cccc2cn1 1436214131 QOCVKWMTBJRMBE-UHFFFAOYSA-N 427.346 4.993 30 10 IJEE C=CC[C@]1(C(=O)NC/C=C\c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1436449816 PMGIWKZUMKJQFA-IOOHMRRSSA-N 449.389 4.924 30 10 IJEE C[C@@H](c1ccccc1)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccccn1 1438647727 DTOIAHMGAPDFPT-FXAWDEMLSA-N 444.922 4.754 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)OCC 1441185112 GDILTZYCSFYFOX-GOSISDBHSA-N 440.924 4.590 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 1445047133 GRBCXDRZDYBNCY-AVRDEDQJSA-N 436.552 4.846 30 10 IJEE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)(C)CCC#N)c1C 1450756684 GECHQHJLUOBVHL-UHFFFAOYSA-N 441.597 4.781 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N(Cc3ccccc3)C[C@@H](O)C(F)(F)F)c2)cc1 1466790519 HWCLKZWFPPFSMP-JOCHJYFZSA-N 439.437 4.867 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](c2ccccc2C)C1 1466816773 NMLZAEQDTAASHK-FQEVSTJZSA-N 431.330 4.928 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(I)c(Cl)c1 1467405607 PICMTYSVYGZRLB-UHFFFAOYSA-N 444.631 4.740 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1)c1ccc(Cl)cc1F 1467935203 MMWRWINIQIJFGF-NRFANRHFSA-N 438.886 4.956 30 10 IJEE C=C(CNC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c1ccccc1 1470421044 VSDMBWNFSNZIIK-NRFANRHFSA-N 427.589 4.767 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 1478478282 HSVUYOGBQLSTBG-JOCHJYFZSA-N 434.337 4.609 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 1478806380 ZABSSFXMNYROPK-NHCUHLMSSA-N 429.358 4.719 30 10 IJEE CCN1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1502291681 FLIVFVVKIJPKKT-WSTZPKSXSA-N 445.011 4.684 30 10 IJEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1503520439 HCGWOETWRADXAP-HKUYNNGSSA-N 444.461 4.810 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507653490 YEVKLQAOICZRLN-HOTGVXAUSA-N 436.428 4.514 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H](C(C)C)N1CCCC1 1507699386 GGLJLWLIBYCHGN-OFNKIYASSA-N 425.596 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1507795059 BRWXDDNZGGGDKK-PTLVVNQVSA-N 440.632 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCN(C2CC2)CC1 1507817535 PPGUXYRRHIVOOR-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nc(C(C)C)cs2)CC1 1507896246 ATUYURJRDXRWJK-UHFFFAOYSA-N 438.557 4.884 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(F)cc2Cl)CC1 1507909134 SEVUDKJJNXRMJO-UHFFFAOYSA-N 442.970 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCc1cnccn1 1507911697 MWTDQSJFDVQMMH-UHFFFAOYSA-N 441.583 4.873 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccccc1N1CCOCC1 1508006209 MGOMZCKTRHVLIC-UHFFFAOYSA-N 437.613 4.541 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(F)cn1 1508009961 HBHXRNKYIZJRSO-INIZCTEOSA-N 427.911 4.832 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1CC)c1ccc(Br)cc1 1525054887 UEQKSCHAZCJRIH-SFHVURJKSA-N 442.744 4.955 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)c1ccc(Br)cc1 1528081201 MCDQWKOYFYNGRG-LJQANCHMSA-N 432.745 4.641 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H](C)Sc2ccccc2S(=O)(=O)CCC)cc1 1529136076 RGFABJWUCZAISM-QGZVFWFLSA-N 448.631 4.820 30 10 IJEE Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cc2)cc1 1529665569 FPQTYRWHWVQJJT-IBGZPJMESA-N 432.545 4.674 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1532324751 KRPLRLNUAKRRMM-URXFXBBRSA-N 440.609 4.832 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(N(C)c3ccccc3)CC2)s1 1533805489 FADNBCZBRTZLPQ-UHFFFAOYSA-N 436.046 4.966 30 10 IJEE Cc1ccc(SC2(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCC2)cc1 1536961759 BOSJIWILABRKBR-JOCHJYFZSA-N 433.577 4.583 30 10 IJEE C#CCN(C(=O)c1cnc(Br)c(Br)c1)[C@H]1CCCc2ccccc21 1538607382 UNVJYELBWPCNMC-KRWDZBQOSA-N 448.158 4.760 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ncc(CC)s1 1538985238 YSGFKJAAYKNVFD-HZPDHXFCSA-N 439.654 4.851 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)Cc1cccs1 1539031472 JIFTUMDAXXWFIK-IRXDYDNUSA-N 428.989 4.909 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1539094738 URYBYRIGSZFMHB-QUCCMNQESA-N 442.991 4.738 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 1539136157 UYJCKAJGUBZTQR-UHFFFAOYSA-N 438.501 4.855 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(C)C 1539497998 RXOIQMLIHRDZMS-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)C[C@H]1CC=CCC1 1539641244 DOPWYWRBEGQMCN-HWBMXIPRSA-N 436.600 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](CC(C)C)C1 1539643075 KUUCSQWFZQNMJP-SLSDLSHTSA-N 438.616 4.753 30 10 IJEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC(C)(C)C)CC1 1539849663 ZXFSYZFHEXBYKT-LJQANCHMSA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1539854535 SBZFQVMEOBFYOI-XUZZJYLKSA-N 438.616 4.897 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1539887689 FYOGZRTUAMQNBK-UHFFFAOYSA-N 432.515 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1539923528 BTLFZOZSGNPFJX-NRFANRHFSA-N 435.572 4.947 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)C2(CCC2)C1 1540029053 XHTUYKDNVPNGDD-LJQANCHMSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@@H](C)c1nc(C)cs1 1540133421 FVTAJZJPNDYORI-MRXNPFEDSA-N 449.559 4.635 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1oc(CC)nc1C 1540180117 GYVKOTQEDRLPBI-NRFANRHFSA-N 435.572 4.662 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C 1540360288 LTFSICUXKPOCGY-UHFFFAOYSA-N 433.961 4.923 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC=CO1 1541972801 BRJJDIISGYMHGK-UTKZUKDTSA-N 441.963 4.894 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)c2nc(C)cs2)c1 1542157692 CJAGGECRMYAFKL-IEBWSBKVSA-N 438.601 4.781 30 10 IJEE C#CC[C@]1(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1543122281 QXKRBBWPHKSAHJ-FQRUVTKNSA-N 435.568 4.667 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1Cl 1543445762 CAVJJZTXCNQYTR-DGCLKSJQSA-N 436.726 4.749 30 10 IJEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCC(F)(F)C1 1545129108 FLVXUVURKJRXEK-WMZOPIPTSA-N 431.556 4.974 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 1561226605 DYHXSAOPFIAHCI-UHFFFAOYSA-N 432.261 4.664 30 10 IJEE CC[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)Oc1cccc(F)c1 1562533093 CWLBGXFNTVHNEZ-MRXNPFEDSA-N 427.867 4.516 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C 1564512862 DBXPIRVRWJSSMT-ROUUACIJSA-N 427.358 4.878 30 10 IJEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CN[C@@H](C)C(=O)OC 1565535346 DCXYEWBJSCNEGI-ADWVRYLQSA-N 445.600 4.815 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1583129728 XEMBSIJBNSHQHE-GOSISDBHSA-N 436.386 4.838 30 10 IJEE N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)n1 1584320541 HJIVGZXKWFZGRQ-UHFFFAOYSA-N 433.830 4.976 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)ccc1OC 1587579491 HAYLAQNTNPVCEA-HOTGVXAUSA-N 438.572 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1ccco1)N1CCCC1 1589626585 YIRLRXWWRXIXDD-JOCHJYFZSA-N 435.572 4.786 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OCC2CC2)C1 1593611135 NIKZSHCKWHVANM-KRWDZBQOSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1594460688 AHQYKOFQCWGPIW-UXHICEINSA-N 425.533 4.603 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnc(C)s1)c1ccccc1 1594544023 GZJSZLJDUGTZPY-LEWJYISDSA-N 437.613 4.933 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC1(C)C)C1CC1 1595055005 WVJWDCGIUYNUDE-ZWKOTPCHSA-N 429.609 4.594 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC)OC 1595109424 ZHMDURAFRMISIN-SFHVURJKSA-N 444.377 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CCCC1 1595204580 GARVMJXMCMLEJS-UHFFFAOYSA-N 432.572 4.605 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2CCCCO2)C1 1595681821 VBUMRGOIDYBEAX-LEWJYISDSA-N 430.980 4.729 30 10 IJEE CN(C(=O)C1CC1)c1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1598355968 IETOAHJBBGQNHH-UHFFFAOYSA-N 425.488 4.762 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H](C)c1nccs1 1613295101 AUYCZQHMJOQPBM-OALUTQOASA-N 449.628 4.640 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N(CC)C[C@@H](C)C#N)ccc2C)cc1 1624820635 AIQGEJIVTSSGRR-SFHVURJKSA-N 441.597 4.760 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)c1 1625596862 KZXUFITWYOIHHO-FQEVSTJZSA-N 436.360 4.672 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C)C(C)C 1627131700 WMRQPOCUKNHTQD-NRFANRHFSA-N 434.506 4.628 30 10 IJEE C#CCN(CC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1)C(=O)OC(C)(C)C 1629095390 HNKMXLIJPRHRDB-LJQANCHMSA-N 436.552 4.752 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1cccc(F)c1)[C@H]1CCOc2ccc(Br)cc21 1629238053 CXGITALPLGCRQE-LFDGNKEFSA-N 428.301 4.977 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 1629739826 SGNDIEZMVNKKMX-LJQANCHMSA-N 436.474 4.628 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 1630066114 RPWQQVQNTJXLLG-KDOFPFPSSA-N 440.943 4.828 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@]1(C)CCCO1 1635633616 WGAQJJUGAXUXOA-SQHAQQRYSA-N 448.563 4.545 30 10 IJEE C=C(CNC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1635927841 KOWNAKAVIILVSD-OAQYLSRUSA-N 427.589 4.959 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1636098378 HATRFGGSUILPLK-SQJMNOBHSA-N 427.589 4.606 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 1636098624 KZVUGQPMHKSSAB-JOCHJYFZSA-N 441.616 4.995 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)CCC#N 1637167878 COKBJGWVMWJAFE-DEOSSOPVSA-N 447.579 4.996 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C(F)(F)F)CC[C@@H]2C)n(-c2cccc(F)c2)c1C 1642684645 APGLBEFTKTZKFL-XJKSGUPXSA-N 436.453 4.706 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1643338219 MQIQSDAFFGRTHP-DZGCQCFKSA-N 434.627 4.981 30 10 IJEE C#Cc1cccc(N(CC)CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)c1 1644927261 GPAUZOMHGCZIKN-MHZLTWQESA-N 437.543 4.881 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2Nc1nc2c(c(C#N)c1C#N)CCCCCC2 1651909348 HJOBDZHEGAAHAS-NRFANRHFSA-N 435.572 4.685 30 10 IJEE C=CCOc1ccc(CNC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)cc1OC 1655304829 MJUWCECGAIOKIT-DYESRHJHSA-N 448.966 4.604 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CCCCC3 1655979655 RZXCXMVWNXWAMB-UHFFFAOYSA-N 439.606 4.952 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)nc2cc(Cl)ccc2c1=O 1655984269 NXYPPNORECQBBB-OAHLLOKOSA-N 427.957 4.972 30 10 IJEE C=CCN(Cc1cc(Br)cnc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1657776956 GDMOTKPBIVURAV-SFHVURJKSA-N 437.765 4.660 30 10 IJEE Cc1cccc(COc2ccc([C@@H](C)N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2)c1 1657931678 DAFICAYBUIXLRD-IBVKSMDESA-N 425.532 4.902 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCc2cc(C)cc(Br)c2C1)C(C)C 1665701748 OWHPUBAQRBIBQS-OAQYLSRUSA-N 434.422 4.524 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 1667018290 FRVYFOYZVWDCAD-ATZDWAIDSA-N 444.601 4.896 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)c1 1667082816 JRJJPVYATMUIGW-NRFANRHFSA-N 441.572 4.588 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)c1cc(F)c(Br)cc1F 1667558403 ADAWQEHEWMQQOY-SNVBAGLBSA-N 427.220 4.761 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cnn(Cc2ccccc2)c1 1670846090 ZZBMOTDVDGEFQH-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)cc1 1670853195 GOFMXGBTCOUPHJ-UHFFFAOYSA-N 428.357 4.683 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1)c1ccc(Br)cc1 1672590597 ZNMBKSANSRIZIJ-QGZVFWFLSA-N 445.267 4.717 30 10 IJEE C=CCC1(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CCCC1 1674291459 HCOCVMQPBQPXNX-NHCUHLMSSA-N 427.589 4.968 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)CC1 1677105348 GWHLBFGIONCFNT-UHFFFAOYSA-N 441.616 4.571 30 10 IJEE C#C[C@@H](NC(=O)N1CC(Cc2ccccc2Br)C1)c1ccc(Cl)cc1F 1683516776 ISERCALUMGKEER-LJQANCHMSA-N 435.724 4.800 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C1CC(C(C)(C)C)C1 1689949708 OZXGALTVNJWBAQ-UHFFFAOYSA-N 431.378 4.783 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC=C(C)C 1690204251 DVBRFFMFENNRLW-NBGIEHNGSA-N 441.620 4.741 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690354676 XKKUPBNYCNYCFV-GUYCJALGSA-N 427.401 4.838 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@](C)(OC)C2CC2)CC1 1690364096 JLDFIIQODYGCDW-CLOONOSVSA-N 440.588 4.788 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H]1C)c1ccccc1 1690447530 QZZFRJHVTYIVBD-SVFBPWRDSA-N 449.624 4.864 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1csc(CC)n1 1690515556 PEASYTHHKPZWHE-OAHLLOKOSA-N 431.993 4.955 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCc1ccc(OC(F)(F)F)cc1 1690592988 OXVBPERJHHAKNE-UHFFFAOYSA-N 443.473 4.968 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1(C)C 1696192330 GRBQETWOFVRJFZ-MOPGFXCFSA-N 429.515 4.502 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H]1C)C(C)(C)C 1698356674 GHTXSIJEVHPYHQ-ABSDTBQOSA-N 427.618 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1ncc(C)s1 1705481092 ZOPLWPNXCMZVNK-KGLIPLIRSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1705514931 NPGHQYZZZWBBRX-UHFFFAOYSA-N 445.542 4.690 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705537815 RSFOFUNCVWUMES-LJQANCHMSA-N 445.032 4.769 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705595439 SUNPRZQBMIHQBZ-YKSBVNFPSA-N 443.595 4.731 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705661194 VEMSXPHRCZQPQT-WMQCIHAUSA-N 429.033 4.904 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCO1 1705713226 XKKIIUXYBYSQDJ-HXUWFJFHSA-N 437.357 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCCC2)CC1 1705794458 JHHGDTKNTRSAJC-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H](C)C#N 1705801388 DGORCZAQJLJAFL-OAHLLOKOSA-N 432.366 4.668 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC[C@H](OC)C(F)(F)F 1705862099 YSPQLCYOOQLKHA-OALUTQOASA-N 438.494 4.680 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCc1csc(-c2ccccc2)n1 1706077007 FIFJXVFKWWGPTF-GOSISDBHSA-N 434.613 4.973 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@H](C)CC#N)C1 1708062270 FFYAOKVRFPZXGF-ZWKOTPCHSA-N 429.012 4.847 30 10 IJEE CCC(O)(CC)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1708817912 BXMPKLOIWPQAAF-HXOBKFHXSA-N 441.645 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C)CCCC1 1722277971 ONBMZTCIGLNFLV-HNNXBMFYSA-N 431.378 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1c(CC)noc1C 1722303762 RETUBGIQFGOKNE-CYBMUJFWSA-N 448.354 4.529 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1722325938 CSFKXYOLQHDIAL-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1722458695 QHWNAWKLQMPSGM-QFIPXVFZSA-N 442.604 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1722517040 KQBDCCUWRBNCAG-HXUWFJFHSA-N 429.584 4.519 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 1722529444 SRMAOFXDWXWQEX-HNNXBMFYSA-N 426.895 4.510 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722580157 HWAFFYFWVFERLL-DXBBTUNJSA-N 428.621 4.580 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1cn2ccccc2n1 1722634471 PFANADMOHUISBW-HXUWFJFHSA-N 430.556 4.548 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1C[C@@H](C)O[C@H](C)C1)C1CC1 1722646866 MSBGYBGUXGEMTN-KURKYZTESA-N 428.552 4.916 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1Cc1cccc(Br)n1 1722659062 PYLUOKFSXYPMSG-UHFFFAOYSA-N 438.373 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(F)cn1 1722661359 BZLWJMVETGBSGW-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CCOc1ncccc1Cl 1722668684 WTDGCCRBBZJYJD-UHFFFAOYSA-N 435.915 4.997 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1)c1cccnc1 1723108588 BAJLWNJFMYNANX-BJKOFHAPSA-N 444.583 4.657 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCc2ccccc2C(F)(F)F)C1 1724002680 HYTWBSIDHRKATR-QFIPXVFZSA-N 440.473 4.732 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)o1 1727978048 IBUKQTUDSCLKSI-MSOLQXFVSA-N 448.571 4.651 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1740574274 XJKHSWGEJPAVHG-JOCHJYFZSA-N 426.992 4.721 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)CC 1740647000 HSROBUOREFNTRC-UHFFFAOYSA-N 443.389 4.615 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1(OC)CCC1 1740648714 OKUUENZVLCUYFG-UHFFFAOYSA-N 431.367 4.674 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC(C)(C)C(F)(F)F 1740666410 OSEGBZJZLNFAKS-UHFFFAOYSA-N 429.284 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1740767017 MBGDERRRMBIGNS-JTSKRJEESA-N 446.979 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1740774078 LEYLTMFRAQEMNG-LJQANCHMSA-N 437.519 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740851167 WTNUKKXSBQMNHD-KRWDZBQOSA-N 427.559 4.686 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@H]1CCCOC1 1740851670 AKJZEZLIMQALGD-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCCS1 1740895140 SJGVFQXUESKEEQ-CQSZACIVSA-N 425.371 4.755 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1740915778 RYAXBAIAKBMXAS-SFTDATJTSA-N 425.621 4.723 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1C 1740923175 FGOZVERWULOXIN-WOJBJXKFSA-N 438.597 4.812 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCC(C)C 1740938213 BWQVHCFKSFQJBA-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740944385 FJTUMFVODBHEJA-LJQANCHMSA-N 441.377 4.548 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCCC3)nnc2N2CCC(N(CC)CC)CC2)cc1 1740965594 CAQBFSDGERQDIR-UHFFFAOYSA-N 437.632 4.859 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)CN2CCCC2)C1 1740978111 OMHFCLUZLALWKO-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCCOC1 1740996435 BXKMGRFJOYUFGF-MSOLQXFVSA-N 446.686 4.913 30 10 IJEE CC(C)(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCSC(F)(F)F 1741159275 AMXUJMOCMWPHKE-UHFFFAOYSA-N 435.519 4.994 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)n1 1742339086 FKQBTCQTTKDZTI-UHFFFAOYSA-N 442.592 4.893 30 10 IJEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CCC[C@@H]1CC 1744690824 BOHPQIBTDCLSSJ-RBUKOAKNSA-N 426.996 4.518 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2Br)C1 1744936004 FUXIFGRIZREWMB-CQSZACIVSA-N 442.386 4.925 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1748699976 SZPQTDLHCODSMS-YADHBBJMSA-N 446.599 4.566 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)c(COC)c1 1748775132 DWRTUTUQSRNQTO-MRXNPFEDSA-N 438.572 4.535 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1748935361 QFIHYILTQODYED-ZJSXRUAMSA-N 438.616 4.775 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1749023011 OVLWREPXOSRPSD-GBXCKJPGSA-N 437.613 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](COCC)C1 1749124235 LMCRONUQGMMINN-JQVVWYNYSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1749157990 CCUSHASCKWPWRX-UHFFFAOYSA-N 437.632 4.944 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cnccc2OC)CC1 1749294081 MSAFWRMRSNVEAK-UHFFFAOYSA-N 447.583 4.978 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C(C)C)C1 1749392899 CUUZZQCHNAWGGS-OAQYLSRUSA-N 428.602 4.650 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC)c(OC)c1)C1CC1 1749512198 UYEJAIMXUQPLTE-UHFFFAOYSA-N 439.947 4.604 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1749539056 RVFRVSZCJLTJKT-GOSISDBHSA-N 425.577 4.651 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1Cc1ccnc(SC)c1 1749584195 JIVLANOHDKIJBQ-UHFFFAOYSA-N 442.592 4.740 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccccc2OC2CCCC2)n1 1751599657 CLXVGSHZHRMJGC-LJQANCHMSA-N 430.556 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760099509 HSTSUQNNBIYOAU-QUCCMNQESA-N 439.604 4.581 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H](C)N1CCCCC1 1760126100 XZHHGWJBVSYBFA-RTBURBONSA-N 446.064 4.946 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCCCC2)CC1 1760141328 QLUHTMUSPIRIRB-UHFFFAOYSA-N 449.643 4.732 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCc2ccc(Cl)nc2C1 1760142003 OJEHVFSVKMOZRR-UHFFFAOYSA-N 449.986 4.889 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](COC)C1 1760159546 JREILMJAFDWHMY-GOSISDBHSA-N 433.021 4.890 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1760390779 SJJFMWGCXCWEPA-UHFFFAOYSA-N 445.901 4.723 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1760400407 ZWYABHFYHXEHKU-NRFANRHFSA-N 425.964 4.727 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1760453014 UXBJJLYIJCOHFH-UHFFFAOYSA-N 437.632 4.547 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cc(Br)cs1)C1CC1 1760469587 KICSOJQYCUWDQH-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1760508336 VXTZKMJHBILPDV-CRAIPNDOSA-N 433.394 4.843 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](CC)C1 1760560444 VSRDDYFOHPCDPR-FUHWJXTLSA-N 437.009 4.606 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 1760568905 WUMMTJALSQHRQH-FHWLQOOXSA-N 449.665 4.752 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCc2ccccc2C(F)(F)F)n1 1761931868 AIIHEGYCYFBBGF-UHFFFAOYSA-N 440.473 4.650 30 10 IJEE O=C(C[C@H]1SC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)NC1=O)c1ccccc1 1772741733 AAXRZFKKIQYRCL-HXUWFJFHSA-N 437.908 4.795 30 10 IJEE CCc1ccc(CCC(=O)N(CCOC)[C@H](C#N)c2cccc(Br)c2)cc1 1857960517 LMRYTUOAQGGRMT-OAQYLSRUSA-N 429.358 4.684 30 10 IJEE N#Cc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n(Cc3ccc(F)cc3)n2)cc1 1859412472 CYOGWQPKZPBTLX-UHFFFAOYSA-N 441.422 4.770 30 10 IJEE CCOc1ccc(CCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1 1859657018 NTEYCDAGJFDBHH-UHFFFAOYSA-N 425.492 4.571 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(Cl)cc1 1861133201 LCAIIUPZAMAPQY-QHCPKHFHSA-N 445.003 4.792 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(O)c2)cc1C 1862400537 HCKUXGHUCXSHTR-ZFUCPZCZSA-N 435.520 4.866 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862502646 GICTXOYZFKQZMG-FXAWDEMLSA-N 429.875 4.545 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1OC 1862575583 ABZBXDPHFILDFG-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1OC 1862720911 IDLWBBLKNOBPAK-XMMPIXPASA-N 443.499 4.988 30 10 IJEE Cc1cc(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100325 IIYPAYSSOQOPGP-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2c[nH]c3ccccc23)C1=O 1863495319 NBTKTDLMEVWKRS-QGZVFWFLSA-N 432.483 4.993 30 10 IJEE CCCCc1ccc2[nH]cc(C(=O)Nc3sc(C(=O)OCC)c(C)c3C#N)c(=O)c2c1 1866434017 IQDUMACXSYLLLF-UHFFFAOYSA-N 437.521 4.541 30 10 IJEE CSCC[C@H](NC(=O)/C=C(/c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866692272 NCYIGHAXFVBMCQ-BCGDRIGESA-N 447.604 4.845 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1 1868715852 RMPGXBRBCTZFQW-UHFFFAOYSA-N 426.507 4.582 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1F 1870145462 BCPYNEAHHYMPGQ-UHFFFAOYSA-N 435.503 4.682 30 10 IJEE CCCCCCCCCCn1cc(OC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870554321 ZCMBPXZVMOAYQE-UHFFFAOYSA-N 440.632 4.715 30 10 IJEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(OCC)cc1 1871085280 LUQGFWXBZISCSD-UHFFFAOYSA-N 434.536 4.893 30 10 IJEE COc1ccc([C@@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccncc3)C4=O)C2)cc1 1871359379 NACUWSGODWYNOI-NSTHGIQOSA-N 428.488 4.928 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)c(OC)c1 1871364902 ZASRUEZXESZBHN-FMCGGJTJSA-N 446.455 4.613 30 10 IJEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871438179 PUVYCXWIGZJKMD-CFRMEGHHSA-N 444.531 4.931 30 10 IJEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871449667 RERBESJKWRKQMJ-NHDPSOOVSA-N 441.911 4.606 30 10 IJEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871453662 LJBISORQURUBRU-KSEXSDGBSA-N 443.455 4.666 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)cc4)ccc3C2=O)c2ccccc21 1871456841 ZYSONLDWGZVCAU-MSXFZWOLSA-N 442.446 4.951 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871459892 JRXFUUKMSGPSHG-QRVIBDJDSA-N 446.478 4.834 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 1872278791 XOEAOKQIBVRSEW-NRFANRHFSA-N 448.588 4.790 30 10 IJEE CCCCN(CCC)CC(=O)[C@H](C#N)c1nc(-c2ccccc2)c(C(=O)OCC)s1 1872800264 PMRXQGTUOASVEG-SFHVURJKSA-N 427.570 4.675 30 10 IJEE C=CCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2c(Cl)cccc2Cl)C1=O 1873096563 MEWFWLIVSBVQPQ-UHFFFAOYSA-N 445.346 4.545 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N(CCC)CCC)ncnc2n1CCOC 1873589935 WXCCKNQJGIWFHX-UHFFFAOYSA-N 431.625 4.794 30 10 IJEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(O)cc1O 1874206368 YBICNCSFQGRITQ-ZVBGSRNCSA-N 439.324 4.569 30 10 IJEE COc1cc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SC)ccc1OC(C)C 1874262724 NJYBKCMJEIHTPD-FSJBWODESA-N 446.960 4.910 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1cc(Cl)ccc1O 1874314284 LNFSZJZPFIPBHQ-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)cc1 1874348941 LNYUYKJYHRXJGP-WGOQTCKBSA-N 429.549 4.755 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)c1O 1874428571 PLKULDRLVGJVHU-AFUMVMLFSA-N 434.496 4.973 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(C(=O)O)cc2)c1 1874446069 RXKTWEKLGILLCR-AFEQLLIESA-N 436.537 4.619 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2/N=C/c2cccc3ccccc23)o1 1874525327 IECDVBOBMDZECG-ZVHZXABRSA-N 434.521 4.938 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2COc2ccc(C)cc2C(C)(C)C)cc1OC 1874569269 PDAADQIONJUGAV-ZMOGYAJESA-N 440.569 4.651 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)c(Br)c1OCCO 1874597614 WCSHSAFGDDQHDZ-PKNBQFBNSA-N 427.294 4.878 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)NCc1ccco1 1874628604 LUFVQFDBLOQBJN-JXMROGBWSA-N 449.503 4.505 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1F 1875153170 UAVJTESTORMDRI-WWPOYFSUSA-N 449.272 4.577 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)c1 1875172303 NYZAFNTUYYVJOU-DHZHZOJOSA-N 439.464 4.994 30 10 IJEE C[C@H](C1CC1)N(CCC#N)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1902260404 BXYORJPYJNAWFC-GOSISDBHSA-N 443.547 4.598 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12C[C@H]3CC[C@@H]([C@@H]1C2)N3C(=O)OC(C)(C)C 1906026927 SHZZAUHOJCAVGZ-SQSAXNKISA-N 426.601 4.916 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CCO1 1922113599 SDIDZXPHUMWAGD-OTNCWRBYSA-N 432.605 4.590 30 10 IJEE C#C[C@@H]1CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1965442874 MFRAGMJYHWVGIN-GOHWNWGWSA-N 444.575 4.858 30 10 IJEE C#CC(C)(C)C[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2002378790 SYLZZUJKATWBIG-QFIPXVFZSA-N 427.633 4.574 30 10 IJEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 2020324651 OXTFDMQQFHXFER-JPYJTQIMSA-N 431.533 4.728 30 10 IJEE CC[C@@H]1[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@]1(C#N)NC1CC1 2058747920 XWHZWUYLFKPNBB-JCYYIGJDSA-N 430.640 4.824 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2cc(Br)ccc2Cl)C1 2063051580 DMPHGQMCTZVQRW-INIZCTEOSA-N 429.786 4.833 30 10 IJEE N#Cc1c(C2CCOCC2)nn(Cc2ccc(F)c(C(F)(F)F)c2)c1Br 2080340511 BTVPWSLYSJYULT-UHFFFAOYSA-N 432.215 4.617 30 10 IJEE CC(C)c1nn2c(Cl)c(C#N)cnc2c1-c1cc(F)ccc1I 2081221446 KCZLFXAMFHHSRE-UHFFFAOYSA-N 440.647 4.788 30 10 IJEE Cc1cc(I)cc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 2094849111 LEIJSYVAWCZOFK-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](Nc2cc(Br)c(C#N)cc2F)C1(C)C 2127901302 SUYFVSILRXYRHQ-BLLLJJGKSA-N 426.330 4.811 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(C[C@@H](O)c1ccccc1Br)C2 2169752811 ZZKIAMHAAWCVQI-RLFYNMQTSA-N 438.362 4.620 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(c3cc(Br)ccc3C#N)C2)C1 2174812797 OXYBZNIEXAUANV-NRFANRHFSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(c2cc(Br)ccc2C#N)C1 2174815731 WNPHWYRVYLTBIA-AEFFLSMTSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 2181136634 JLBWVWVTTDCQJA-UHFFFAOYSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1ccc(Br)c(C#N)c1)C1CCCC1 2204168284 DIOADFAUKKKHJB-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1cc(Br)cc(F)c1C#N 2234591559 SLLDECYMHQZJAB-LBPRGKRZSA-N 448.283 4.907 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2248028048 DMQPAIZIVZWIFJ-UHFFFAOYSA-N 431.744 4.829 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(CCCCNC(=O)OC(C)(C)C)OCCC(=O)O 2252113492 LXOYPRUFDMZKOB-XMMPIXPASA-N 435.561 4.704 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H](C(C)C)N(Cc2ccccc2)C1 2261819287 ICIPLSWNNDVMNT-BDYUSTAISA-N 437.580 4.920 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCC[C@H](CNC(=O)OC(C)(C)C)C1 2261982117 IANGVOYKJVSLDD-SQJMNOBHSA-N 447.572 4.704 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2266991930 MTLYNRKNXSKASC-UHFFFAOYSA-N 444.381 4.975 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c1 2267232414 QZWMIPYMRZJUFD-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)c1 2268652312 FTISRQYXJGYHRH-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE C=CC[C@]1(COc2c(N)cncc2Br)CCCCN1C(=O)OC(C)(C)C 2272094246 ZJUVYGAKQSNQLP-LJQANCHMSA-N 426.355 4.541 30 10 IJEE CC1(C)OB(c2c(F)cccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2282137601 HMZMFUVKZFPUJY-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3cccc(OCc4ccccc4)c3)cc2F)OC1(C)C 2282474742 FBHQONIRXWUANF-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)o1 2296073511 LSSLWGZZRFZJLO-LJQANCHMSA-N 434.448 4.963 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)C(C)C 2296216306 JDJAFDLJTHSLKV-UYAOXDASSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@@H](N)C#Cc1cccc(Br)c1)C1CCCC1 2296271250 DUNRJQHDTNSUCM-QUCCMNQESA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2ccc(Br)cc2)c2ccccc21 2296290079 YUQIHQSYHINDDW-RBUKOAKNSA-N 427.342 4.667 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296294501 VAJDOCUYJHAAQK-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1(C)CC(NC(=O)OC(C)(C)C)C1 2296295416 COYKLFBGRKQJLF-LVIWNVNYSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 2296310684 MSCNSYGWYJRVIM-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE C=CCOc1cc(Br)c(C=C2N=C(c3ccccc3)OC2=O)cc1OCC 2296908773 FHYBBVMXPMRZGQ-UHFFFAOYSA-N 428.282 4.757 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCOC)cc1 2314477892 NUNUZYISADDFLR-RUZDIDTESA-N 449.547 4.880 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317355218 BJPPWGWJZRJZEZ-QFQMRYFISA-N 429.370 4.538 30 10 IJEE Cc1cccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)c1 2322667431 ALSAQHXRIGIAQF-UHFFFAOYSA-N 429.472 4.680 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1 2323144464 KCCTXLJYUNHXTR-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325204172 OINOKSXZCCHFJI-UHFFFAOYSA-N 428.419 4.978 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)NCc1ccccc1Cl 2325632666 MXWRTDBGNYTLOT-UHFFFAOYSA-N 437.854 4.791 30 10 IJEE COc1cc(C=Nn2cnnc2SCc2cccc3ccccc23)cc(OC)c1OC 2325666364 VORFMVGKWIDOHP-UHFFFAOYSA-N 434.521 4.632 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(O)c1 2327576059 WNQROTSFYYKIKU-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1c[nH]c2ccccc12 2328383594 UDUCLHWBWHVBMN-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(OC)cc1OC 2328754324 QKAVUOXOHDMHLR-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE Cc1ccc(Cc2nnc(SCCO)n2N=Cc2c(Cl)cccc2Cl)cc1C 2329459759 KPKNRDYETRNNTC-UHFFFAOYSA-N 435.380 4.759 30 10 IJEE CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(OC)c(OC)cc1OC 2329560932 OLZRJHHYZRDQSH-UHFFFAOYSA-N 432.933 4.619 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)c1 2330642789 ZSADWHNBOPKICS-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1F 2330824554 LISJGRJEPHRJOJ-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2O)c(C)c1 2331100884 VFSHGHBMJUBIAZ-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C2CC2)cc1 2331729203 MFVQDINSGVOEPC-UHFFFAOYSA-N 433.581 4.893 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339536092 OYIWQPVDLWCJML-NRFANRHFSA-N 433.405 4.827 30 10 IJEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576570 JNNTYHOLTLQEAE-PKOBYXMFSA-N 443.397 4.608 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2360196208 LXGONPXZGSPFQF-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)c1 2364942677 MQDIQARDIMKTOP-UHFFFAOYSA-N 449.360 4.817 30 10 IJEE N#Cc1c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)sc2c1CCCC2 10592525 VQUQNWOOAFJAGX-UHFFFAOYSA-N 430.536 4.747 30 10 IJEE C=CCNC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21 14461022 GDLOSKPMDZBLHF-ZJTDPSCFSA-N 425.326 4.897 30 10 IJEE CCCO/C(=N/C(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(OC)c(OC)c1 16531137 QAMPCLQIPDODKS-UHFFFAOYSA-N 439.339 4.766 30 10 IJEE O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1cccc(C(F)(F)F)c1 20836490 MJIMUMBECPHOCJ-UHFFFAOYSA-N 426.468 4.676 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC)cc2)C3)cc1OC 20882861 PNOSEJXDXUCPED-PZJWPPBQSA-N 449.547 4.887 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccccc2C)c1C 32973169 NMNHEMZLVJKESB-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1cccc(Br)c1 39912068 YAUQLFCTTAWJKS-FQEVSTJZSA-N 438.325 4.893 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1ccc(OCC)c(OC)c1 39912081 BLGAAKMPERAUIK-QHCPKHFHSA-N 433.508 4.538 30 10 IJEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CC(=O)N([C@@H](C)CC)[C@H](C)CC 40219880 ZJXWNVXDZZYZGS-OYRHEFFESA-N 440.632 4.867 30 10 IJEE COc1ccccc1/N=C1\S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1C 58945807 GYBKZXFNXADZJW-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE CCCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)cc1OCC 97998933 ARQVIILQGSBDHY-NJBZPOFQSA-N 442.556 4.504 30 10 IJEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1c1ccc(F)cc1 105533822 PMPQMXBESWZEJL-OAQYLSRUSA-N 433.508 4.668 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 170072829 OIEUKZQCICTWCF-HXUWFJFHSA-N 431.398 4.624 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)c(C)c1 170076572 DPMJYPXMRBLRQC-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OC(F)(F)F)c2)=C(c2ccc(OCCC)cc2)C1=O 170142867 AMYWKGHZQSESNH-UHFFFAOYSA-N 446.425 4.752 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)cc1 170162880 FUSZHNGWOZLTIL-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)cc1C 170185768 LMGLOHBTQLJPJE-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)c1 170202561 KARZAMCTKAHOOY-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)c1 170224655 DRPQULUVZXKODS-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)cc1C 170258606 BAPDLAWDMCARPJ-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170296462 JWBXBEQLWYUTEE-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2cccc(F)c2)o1 170299135 CCRYALMERXWKRQ-FPTDNZKUSA-N 433.435 4.833 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301727 AGHBGAFXTNZVMV-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2C)cc1 170398520 XBOURBDXIFXOBJ-QHCPKHFHSA-N 441.483 4.955 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)ccc1OC 170441672 NUJFSZYBGDKUDY-HXUWFJFHSA-N 445.462 4.887 30 10 IJEE CCOC(=O)COc1ccccc1/C=C1/SC(=Nc2ccc(Cl)cc2)N(C)C1=O 252621343 MWCCMYCRJJARBC-OKZFSLEBSA-N 430.913 4.516 30 10 IJEE C=CCn1c(Sc2ncnc3c2oc2ccccc23)nnc1[C@@H]1COc2ccccc2O1 301080472 JILUHZVWZKRRBF-SFHVURJKSA-N 443.488 4.817 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@]2(CCOC2)O1 431981359 MCYCCGNNNPTYHV-QHCPKHFHSA-N 441.915 4.806 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC2CCC(C#N)CC2)cc1 441141760 MIGZMDQDSIUCNX-UHFFFAOYSA-N 428.536 4.667 30 10 IJEE N#Cc1ccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1C#N 460106040 JNRVHGULAWYGNX-UHFFFAOYSA-N 437.228 4.771 30 10 IJEE N#Cc1cc(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)ccc1C(F)(F)F 480116297 LNXSTPZNZNTULK-HNNXBMFYSA-N 431.462 4.813 30 10 IJEE CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)n1 483224173 NHBMLJYIUYLHKE-HNNXBMFYSA-N 428.416 4.880 30 10 IJEE CCOc1ccc(-c2nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)sc2C)cc1 502574744 BZKGMEKCYZLYPY-QFIPXVFZSA-N 429.542 4.717 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 508869039 YRPMIHKEKNZNAA-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(c2nccs2)CC1 508940486 YLTACZKGUIFFLQ-UHFFFAOYSA-N 427.599 4.606 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)cc2C1=O 512004802 AJPTVECSBSWFJY-INIZCTEOSA-N 431.345 4.596 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 517524956 CNNHBCOEMPAKOY-KRWDZBQOSA-N 446.576 4.907 30 10 IJEE Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3cccc(C#N)c3)C2=O)c(C)c1 526645974 YJTHWUHTDUACAD-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc1OC 526801408 OUDHMVMXTQFPLO-CFRMEGHHSA-N 444.532 4.706 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(O)c1Cl 526825571 ZRPOZPDGDPFLQQ-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE CC1(C(=O)NCc2cccc(OC(F)F)c2)CCN(c2ccc(Cl)cc2C#N)CC1 557472024 YIWLWURVOFBLNA-UHFFFAOYSA-N 433.886 4.736 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N3C[C@@H](C)C[C@@H](C)C3)C2)c1 585967851 UXFLNBKZYFHRGY-MZKRTTBSSA-N 440.632 4.816 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C)ccc3SCC(F)(F)F)cc2C1=O 605634446 UOUDDNSPIWKBIY-UHFFFAOYSA-N 434.439 4.684 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C 717984283 ZNMDZRKSHJKYSU-VXKWHMMOSA-N 428.370 4.935 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 735337977 UMPYRFKOOQJJPV-UHFFFAOYSA-N 445.906 4.926 30 10 IJEE CCCc1nc(C(=O)OCc2cc(Cl)ccc2OCC#N)nn1-c1ccccc1Cl 735346353 MCHOUQMFUPAQPE-UHFFFAOYSA-N 445.306 4.786 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccn(-c2cccc(Br)c2)n1 735350003 NKWCVJHFNSAUPX-UHFFFAOYSA-N 446.688 4.548 30 10 IJEE N#Cc1cnc2ccccc2c1OCCOC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741435954 LUTGIDSHNYGUKO-ROUUACIJSA-N 442.393 4.731 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c[nH]c4ccccc34)n2)cc1 1084602038 RXSRGQRKSNADQP-UHFFFAOYSA-N 447.568 4.760 30 10 IJEE C#Cc1cncc(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 1125455515 LFGXIRRCWMKIBP-UHFFFAOYSA-N 426.907 4.542 30 10 IJEE C=CCN(C(=O)[C@H](C)c1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)OCC 1128110882 FVLIGEGKOWOWRS-DYESRHJHSA-N 444.369 4.742 30 10 IJEE C#CCSc1ccc(COC(=O)C2(c3ccc(I)cc3)CC2)cc1 1128145537 VGQMZYUSJWURCB-UHFFFAOYSA-N 448.325 4.792 30 10 IJEE C#C[C@H](NC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1)c1ccc(Cl)cc1 1129601886 CQMDOZXOJIOHNC-SFHVURJKSA-N 443.931 4.547 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 1131105077 AVPHBPYMBFWYJG-WMLDXEAASA-N 433.936 4.591 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1131932882 JADYICILMWVXSY-JOCHJYFZSA-N 438.490 4.936 30 10 IJEE C=C[C@H](CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1134621439 USJFJMNOCRZSJU-XBFCOCLRSA-N 427.335 4.976 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 1136431857 UMIDPJRJWQQBJW-DENIHFKCSA-N 441.616 4.678 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1ccccc1 1136543822 BRJKWLSVOZYUIG-QFIPXVFZSA-N 432.568 4.516 30 10 IJEE C=CC1(CC(=O)NCc2sc(-c3ccccc3)nc2C)CN(C(=O)OC(C)(C)C)C1 1155183550 CULJJYIPFKXLQF-UHFFFAOYSA-N 427.570 4.548 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CCO)c2cccc(C(C)C)c2)n(Cc2ccccc2)c1C 1171705592 CIRULCOOUJYODC-UHFFFAOYSA-N 444.579 4.586 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCCOc3ccc(C(C)C)c(C)c3)nnc12 1188022335 ODIIPRXSNFDTPN-UHFFFAOYSA-N 434.565 4.833 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1F)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 1199731306 FTRJDJJVEXPMBB-CYBMUJFWSA-N 449.326 4.790 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1 1216376648 OYOKKYBPICDDDL-UHFFFAOYSA-N 444.944 4.902 30 10 IJEE COc1cc([C@@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)ccc1OC(C)C 1217645803 GRLZPCGOVVIMSE-CYBMUJFWSA-N 432.318 4.999 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1ccccc1 1264039144 ZJNOUZFZFUIZSC-YYDVJCTNSA-N 426.582 4.652 30 10 IJEE CC(=O)N[C@](C)(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(C)C 1265535635 BLBGFBFDNLOFDY-NRFANRHFSA-N 433.430 4.859 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)c1ccc(Cl)cc1F 1275498746 RVABURPXHIOKJL-QGZVFWFLSA-N 446.707 4.840 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCOCCC(C)C 1286273417 HNXOPNOCRRVHBF-QGZVFWFLSA-N 433.394 4.618 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1csc(CC)n1 1286338760 DXSWAKBEDXDCFT-UHFFFAOYSA-N 431.512 4.615 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(CC)CCC 1286369030 ZSVYTROKIWMJEX-UHFFFAOYSA-N 425.577 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@](C)(OC)C1CC1 1286515173 FJZNINGAKUCACR-YADHBBJMSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1286536855 STRKVBAKZQXFCX-RRFJBIMHSA-N 435.341 4.701 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1286539801 DMXREMHISXRMKZ-UHFFFAOYSA-N 434.769 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1c(C)noc1C 1286570287 SLLXTGKZSGFHIP-CYBMUJFWSA-N 447.381 4.847 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1286621341 CADFSRWZDFUPLP-WMZOPIPTSA-N 434.943 4.563 30 10 IJEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1286625032 GTASTPGHGHGQJM-LBPRGKRZSA-N 442.898 4.885 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCCCOCC)CC1 1286654595 DZIRXVXGEGZGNP-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286667190 HQNGFBKUQRYGME-PKTZIBPZSA-N 432.616 4.599 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](OC)C1 1286668889 WUSWGRQGKNEHNM-CQSZACIVSA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1286728677 FIUXTFNHTZIXRO-UHFFFAOYSA-N 448.640 4.853 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1csc(C)c1 1286740016 BCGSISRMWYSHRZ-OAQYLSRUSA-N 438.597 4.792 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CC[C@H](OC)C(F)(F)F 1286742503 QITNXAFNZROCDY-IBGZPJMESA-N 449.521 4.898 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C(C)C)N1CCCC1 1286743802 TVGPNEZTHAAVQY-DEOSSOPVSA-N 432.616 4.597 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1CCC1CCN(CC(F)(F)F)CC1 1286745337 CQHWNWPCHKXFFA-UHFFFAOYSA-N 435.538 4.698 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@@H]1CCSC1(C)C 1286747970 RCHCWVNCGMJCPU-SFHVURJKSA-N 438.576 4.599 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)C2(CCC2)C1 1286827546 SNBUTIQIKCUOKW-GOSISDBHSA-N 442.629 4.898 30 10 IJEE C[C@H]1CCC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)C1 1291075392 ASCXUTIJISSOIO-SIKLNZKXSA-N 437.588 4.560 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1)C(=O)OCC 1298020996 PSNPDRXTNVMALG-CQSZACIVSA-N 445.566 4.738 30 10 IJEE O=C(N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)[C@H](O)c1ccccc1C(F)(F)F 1299832346 AFCGETPQSQCWBR-HZPDHXFCSA-N 434.311 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(OC2CCCC2)c1 1300282157 NEWPQZVCOVHIEP-IBGZPJMESA-N 429.568 4.730 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1nc2c(s1)C[C@H](C)CC2 1300324545 HFNGYWOELFYRQO-MSOLQXFVSA-N 449.624 4.507 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCC2)C1 1300342988 WSEXBXKHMZPMHV-SFHVURJKSA-N 428.964 4.634 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1300349212 QYXFLSJONUQSLN-UHFFFAOYSA-N 432.568 4.532 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1300423414 OXCBRQQRTHBKJO-MSOLQXFVSA-N 431.005 4.500 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCC[C@H]1OC 1300591369 OWYYMJSLJVTXIA-LADGPHEKSA-N 448.611 4.567 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1300980772 NXASXBAQUCBTRY-GOSISDBHSA-N 445.489 4.865 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1300983822 QINBJEOWAOGLMH-UHFFFAOYSA-N 429.927 4.670 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](c2ccco2)N(C)C)CC1 1301075665 NDUFTAJMKPPILK-IBGZPJMESA-N 429.927 4.790 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1OC 1301349239 LQMFVEXINNDJRU-IFMALSPDSA-N 437.613 4.642 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](C)C[C@@H](C)C1 1301482351 VRQUCRVYMXMKRX-GASCZTMLSA-N 444.004 4.598 30 10 IJEE C=CCCONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 1301633422 VMEWFBJIYXUSEW-UHFFFAOYSA-N 429.373 4.624 30 10 IJEE C=CCC1(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)CCOCC1 1304266812 OUNPAAIFIMOVKY-FQEVSTJZSA-N 434.621 4.635 30 10 IJEE CC(=O)c1ccc(OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c(Br)c1 1307365859 OAKRYHIILLXTPE-MTJSOVHGSA-N 428.326 4.911 30 10 IJEE C=C(C)COc1cc(CNCc2ccccc2CNC(=O)OC(C)(C)C)ccc1OC 1308235944 SRQVCCTXSIWQEG-UHFFFAOYSA-N 426.557 4.965 30 10 IJEE C[C@@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1cccc(Br)c1C#N 1309072622 HCSWGFHBMAPWIH-LBPRGKRZSA-N 439.762 4.888 30 10 IJEE C[C@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1310210512 AQWNDHVTFLIKAM-KRWDZBQOSA-N 431.471 4.627 30 10 IJEE CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1310465787 FRKJODQYUUMABQ-LJQANCHMSA-N 425.895 4.925 30 10 IJEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1)C1CC1 1310726973 UUYAKPQXDZFMDK-UHFFFAOYSA-N 427.570 4.864 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)Nc1cc(C)cc(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1310871537 BDIVWNGUNRVLFW-CJFMBICVSA-N 446.595 4.884 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCCN(Cc4ccc(F)cc4Cl)C3)cc21 1311252598 RCMIOYJHLNJQBL-FQEVSTJZSA-N 441.938 4.801 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1348069144 UAGMMQWBMJHFOM-LJQANCHMSA-N 432.973 4.813 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2ccc(C#N)c(Cl)c2)(c2ccccc2)C1 1348338316 HJKOEGYFENLPON-QHCPKHFHSA-N 425.916 4.729 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1OC 1352401348 ITESTBLIGQMICD-UITAMQMPSA-N 447.560 4.931 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C1SCCCS1)c1ccc2c(c1)OCCO2 1352836892 COFNQLOKMMFNDU-UHFFFAOYSA-N 443.590 4.752 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1F 1356159507 ZRASSUBVLGSLSQ-UHFFFAOYSA-N 440.496 4.643 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 1358079908 HHIUEDBBIFQFAS-QFIPXVFZSA-N 431.923 4.799 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCCCC1 1358875494 QVFCCKSTQCWFRC-IBGZPJMESA-N 431.584 4.506 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)c1nccs1 1358876337 HSZYLTFPSHGHOH-OLZOCXBDSA-N 448.365 4.565 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1Cc1ccnc(OC2CCCCC2)c1 1358893410 UFRJUMIBGUJXIM-IBGZPJMESA-N 447.558 4.621 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1359134667 CVSUCQGSFMFFLV-NRFANRHFSA-N 438.597 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359184664 WGBPYVGQIGEEAE-OAQYLSRUSA-N 449.559 4.802 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H]1CC)c1ccccc1 1359193328 CFVCGNWZXFBVJG-FCEUIQTBSA-N 444.583 4.910 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](C(=O)OC)C1 1359198312 NKGOJJVVVOQTPW-SFTDATJTSA-N 440.588 4.781 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1359252303 MTPGDEYPZISGGB-SFHVURJKSA-N 443.586 4.812 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1359283486 UPPFTOSUHZIZMO-QFIPXVFZSA-N 448.615 4.951 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 1360321074 CPAKARWNFVKDBO-MBSDFSHPSA-N 444.934 4.658 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CSc3ccc(Br)cc32)cc1OC 1436129166 SRCSMUACJBRNAJ-OOYWPUHTSA-N 446.366 4.999 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1436304046 ZPRUGDRDTYKSKP-UHFFFAOYSA-N 435.907 4.870 30 10 IJEE C#CC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccccc1 1446337317 MMJCFASMKJLXBW-FCHUYYIVSA-N 432.520 4.749 30 10 IJEE C=C[C@H](CC(=O)NCc1ccc(Cl)cc1I)c1ccccc1 1459644168 LGAUXNPPLJGWMN-CYBMUJFWSA-N 425.697 4.921 30 10 IJEE C=C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1 1461549529 NGBXBBHTDJZMLS-FQEVSTJZSA-N 428.326 4.772 30 10 IJEE C=C1CC(C)(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)C1 1463972340 WWXAPUMALMZPJQ-CHHVJCJISA-N 425.337 4.502 30 10 IJEE COC(=O)C[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c1ccc(Cl)cc1 1466607818 GAMBAKLHQIRXSR-SFHVURJKSA-N 429.904 4.815 30 10 IJEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1)C(=O)OC(C)(C)C 1468081052 OZMJKOUSQNAGDO-FQEVSTJZSA-N 449.576 4.567 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 1470075030 RRUBPUGUNQPNEM-DNVCBOLYSA-N 437.540 4.678 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cc3cc(Br)ccc3[nH]2)c1 1476099067 GUCNAOZIBYKKEW-UHFFFAOYSA-N 435.228 4.725 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(OC)c(Cl)cc2C1)c1ccc(Br)cc1 1478897347 XYNGGRFMNUHZJV-GOSISDBHSA-N 433.733 4.553 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCCC(F)(F)C2)cc1 1492319532 CJEDPJHXQWAZRP-RTBURBONSA-N 431.531 4.977 30 10 IJEE C[C@@H]1CC(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1493309905 CAUHCTKJBWBPGO-KZNAEPCWSA-N 441.551 4.501 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1(OCC)CCCC1 1507701148 ZKZKFFFKGDZNDV-UHFFFAOYSA-N 436.531 4.975 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCCN1CCC(C)CC1 1507770180 LISGYKPZEGWFFK-AREMUKBSSA-N 437.607 4.512 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1507910929 AFMMZMOVJKANDV-UHFFFAOYSA-N 438.645 4.551 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCc1sccc1C 1507985527 HGDNZOBPALUWFG-UHFFFAOYSA-N 447.402 4.854 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(CC)Cc1c[nH]c2ccccc12 1508160015 RDQYPAINIHMWFP-OAQYLSRUSA-N 425.602 4.947 30 10 IJEE C#CCN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nccs1 1515867036 WCJQCHGNIJVHFG-UHFFFAOYSA-N 430.316 4.982 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(Cl)cc1 1525038681 NLSCRCFSDTVCGU-GBXCKJPGSA-N 430.935 4.836 30 10 IJEE C#Cc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 1525549492 SRLWZZXFOQMSTN-UHFFFAOYSA-N 438.405 4.957 30 10 IJEE C#C[C@H](NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)C1CCOCC1 1533500781 LEPZQDDFFKXFMD-SFHVURJKSA-N 442.346 4.555 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)OCc3ccc(Cl)cc3Br)C2)c(F)c1 1537942242 BUNWZJLQNJJVRM-CYBMUJFWSA-N 437.696 4.683 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 1538889727 CBVNXZABBYKUAD-WMLDXEAASA-N 431.514 4.504 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCC(C)CC1 1538977514 WQBSBWJZMBLIRV-HSZRJFAPSA-N 433.644 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C)CCCC1 1538992828 YYWNWSKPUJSGKX-HNNXBMFYSA-N 431.378 4.754 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCCOC1 1539051691 DYEBLMNJULOBKX-RBUKOAKNSA-N 426.630 4.798 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H](c1ccsc1)N(C)C 1539384978 RIAVPVBDSOGCGS-AVRDEDQJSA-N 439.604 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccccc1COCCC 1539563684 MYOYOMGWQPSQLJ-RUZDIDTESA-N 449.624 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)CCSC 1539636647 LNDAWTOFWRDBDG-KPLVRAHFSA-N 432.609 4.567 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCN(C2CC2)C1 1540046895 AYDMAVDFLZFOAP-MOPGFXCFSA-N 444.023 4.795 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1Cc1cc(Br)cs1)C1CC1 1540111979 RFAQFTONKWMTCY-UHFFFAOYSA-N 435.416 4.958 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCCC1(C)C 1540155467 XAPJIVOSMZBHHV-UUOWRZLLSA-N 428.552 4.677 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 1540829046 QJWVKSAUYVLZLP-NVXWUHKLSA-N 440.968 4.696 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2CC2CC(C)(C)C2)c1 1554802975 FLTXSQVJCUQSDQ-CQSZACIVSA-N 446.393 4.891 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1 1556942215 VFEUXNHDCQAMSO-LAUBAEHRSA-N 434.349 4.605 30 10 IJEE C=CCCC(C)(C)NC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1557637694 MSMZIEKUAICNNG-UHFFFAOYSA-N 441.984 4.862 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(-n2cnnn2)c(C)c1)c1ccc(C(F)(F)F)cc1 1562126047 WWHQJHMDDFSWLJ-SFHVURJKSA-N 430.434 4.819 30 10 IJEE C#C[C@@H](NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F 1564840803 CCHLEFOBRBMMPV-QGZVFWFLSA-N 442.705 4.788 30 10 IJEE CC(=O)CCc1ccc(O[C@H](C)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cc1 1584393456 ARDRDXCYGMISTD-FUHWJXTLSA-N 446.469 4.935 30 10 IJEE CCCOc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(OCCC)c1 1585483795 DZFMMDZWLXGSCI-UHFFFAOYSA-N 437.540 4.651 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1587711856 IHWGZOSVVHEBCF-GOSISDBHSA-N 440.588 4.647 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccccc1Cl 1587932587 WJHVQPPDLOUAFF-MRXNPFEDSA-N 441.000 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C)(C)CC1 1589503397 CKBYZQCAPGDKAX-AVRDEDQJSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccc(OC)cc1 1589528896 JHUXYDBRDKJQAM-PMVMPFDFSA-N 440.588 4.536 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 1593683053 FKRWVTJNAVCOAP-IBGZPJMESA-N 429.540 4.702 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)CC1 1593703662 LXZUKVUMZRENLX-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3ccccc3C)C2)nnc1[C@]1(OCC)CCOC1 1594529819 YWRKMDODUBROEB-RLWLMLJZSA-N 438.616 4.835 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1594679664 HDKPALUGOLJMCB-OTWHNJEPSA-N 430.980 4.901 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC(C)CC1 1595075589 ILVZPESJOOGNHA-NRFANRHFSA-N 448.615 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cccc(NC(C)=O)c1 1595149812 VTMVLHRWWUSJRP-UHFFFAOYSA-N 444.564 4.601 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(F)CCC1 1595212013 KKFOAJLLJVPUQX-LJQANCHMSA-N 447.599 4.853 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC(F)F)c2)n1CC(F)(F)F 1595243640 CVPLUQJVFJQRBT-UHFFFAOYSA-N 442.388 4.937 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2ccc(Cl)s2)C1 1595700893 SVAIUCAMKNFEHP-SFHVURJKSA-N 444.988 4.693 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cc3sc(Nc4ccccc4C)nc3s2)c1 1596871668 VBRFJYTUJYIAIQ-UHFFFAOYSA-N 446.557 4.760 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1)C(C)C 1616084383 BQPNAGQSJOZXSL-FGZHOGPDSA-N 441.645 4.990 30 10 IJEE C=CCC[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cc1 1616676885 GKALZIFTCHZBBR-FPOVZHCZSA-N 448.485 4.627 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC1(OC)CCC1 1619110448 HSBBDDDATBPFJP-JOCHJYFZSA-N 443.979 4.696 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NCC3(CN4CCOCC4)CCCCC3)c2)cc1 1623064828 ALSMPCJKYRUQGD-UHFFFAOYSA-N 448.567 4.755 30 10 IJEE C=CC[C@]1(C(=O)Nc2c(C(=O)OCC)[nH]c3ccccc23)CCCN1C(=O)OC(C)(C)C 1624572518 RMMHIPWCAJELNT-XMMPIXPASA-N 441.528 4.629 30 10 IJEE CC(=O)N/C(=C/c1cccs1)C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 1627430735 FZROBJJTKLWDSE-LPYMAVHISA-N 433.508 4.778 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(C/C=C\c3ccccc3)CC2)s1 1628761828 AFYXLOKFODBJLL-TWGQIWQCSA-N 448.057 4.696 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H](Cc1ccccc1)c1ccccc1 1634699040 DPPVWQZRDVHKBO-DEOSSOPVSA-N 425.532 4.810 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC(C)(C)C)CCCCCC1 1639773856 JXJCFHUGSKUERH-SFHVURJKSA-N 438.609 4.787 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1ccc(C)cc1 1641018989 GUFPYEDSVCKHRF-SZTYLXMGSA-N 437.613 4.851 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1644462853 RXZSHIPKAOUOFC-ZDUSSCGKSA-N 438.380 4.818 30 10 IJEE C=CCN(C(=O)CN1CC[C@]12CCOC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1646253374 GQAATBBOUCBXGE-HXUWFJFHSA-N 438.380 4.501 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(OC(F)(F)F)c1 1652545033 DBNKVPMGVQMRCU-UHFFFAOYSA-N 426.508 4.683 30 10 IJEE C#Cc1cccc(N(CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)Cc2ccccc2)c1 1652883851 VCYMQVAZUPICDE-NRFANRHFSA-N 442.559 4.878 30 10 IJEE C=CCN(Cc1ncc(Br)cc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1653296280 KZEGMFCFIWTIEC-LJQANCHMSA-N 437.765 4.660 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(SCc2ccc(C)cc2)n[nH]1 1653707356 DWIVLFKLQPPABE-KRWDZBQOSA-N 445.589 4.594 30 10 IJEE C#CCN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCCc2ccccc21 1654898053 QCCODVVBZPNMDN-IBGZPJMESA-N 433.296 4.679 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(-c3n[nH]c(C)n3)c2)cc1OC 1655858216 IDHGESILQKFOPW-UHFFFAOYSA-N 429.318 4.728 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C)N2CCC[C@H](C)C2)cc1OCC 1656044559 FXCPDUJAJOSQRI-IRXDYDNUSA-N 425.411 4.623 30 10 IJEE C#Cc1ccc(S(=O)(=O)N(C)Cc2cc(C)c(OCc3ccc(C)cc3)c(C)c2)cc1 1660231203 QUVGQXUAKKJCAQ-UHFFFAOYSA-N 433.573 4.993 30 10 IJEE C=CCc1ccccc1OS(=O)(=O)c1cc(Br)cc(Br)c1 1660990137 XSDNRCSKXDNCMI-UHFFFAOYSA-N 432.133 4.708 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)Cc2ccc(C)c(F)c2)c1 1661060644 IYVIFDDBUAGZQV-UHFFFAOYSA-N 440.492 4.839 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1)c1ccc(F)c(F)c1 1661498519 HCHMDIFDXHYYMX-SFHVURJKSA-N 444.297 4.526 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 1669690733 NRCLDHOZXLPLHS-UHFFFAOYSA-N 427.398 4.590 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H]2CC3(CCC3)Oc3ccc(Br)cc32)cc1 1672887889 OIKXBKHXQQAWNC-IBGZPJMESA-N 425.326 4.676 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)c1ccc(F)c(F)c1 1673281482 YBSSBJNOONPQHW-JOCHJYFZSA-N 429.467 4.929 30 10 IJEE COC(=O)COc1ccc(N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 1673927113 FKJLSOMRGZXCSD-UHFFFAOYSA-N 431.448 4.571 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Oc2cc(C)ccc2C)CC1)c1ccc(Br)cc1 1674025573 IABAPQNJUOPUDA-NRFANRHFSA-N 441.369 4.993 30 10 IJEE O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@H](CCO)c1cccc(C(F)(F)F)c1 1676032841 BNERUWBNEANPEC-MRXNPFEDSA-N 438.343 4.786 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(CC)CC)Cc1ccc(Cl)c(Cl)c1 1681943380 IMNUVUMHAZHPRS-WIYYLYMNSA-N 442.431 4.828 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)c1ccc(F)c(F)c1 1686174196 ZLMOOIFVWCRODD-IAGOWNOFSA-N 437.288 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1689833845 RHGZSWVPAUHRJO-GREBRCKQSA-N 446.599 4.634 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1690248818 PYMHWDLYLPSJAE-PGRDOPGGSA-N 426.948 4.733 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCO[C@H]1CCCC[C@H]1C 1690268471 MNFBKZCZUGCVCU-IRLDBZIGSA-N 436.604 4.514 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCC(C)CC2)CC1 1690279778 DJIBKZYJDWTTDK-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(OC)C2CC2)CC1 1690384335 NOUOFBRBZNKCLQ-QHCPKHFHSA-N 428.602 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690426752 ZMTIVIWLEWVIFW-QGZVFWFLSA-N 443.567 4.790 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)CC(C)(C)C)cc1 1690680006 GJTOKTYGPCWISR-UHFFFAOYSA-N 425.602 4.729 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705722150 WTDHKHYEBQSDQQ-FQEVSTJZSA-N 437.632 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1 1705787385 QYEOYIBUHWBLJR-UHFFFAOYSA-N 434.588 4.880 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705803557 UQWYEGUAWDTJLY-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC[C@@H]1CCO[C@@H](C)C1 1705862066 XWNAKMAVGJXDFD-FCHUYYIVSA-N 431.584 4.662 30 10 IJEE CC(C)SCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC#N 1706712444 AVELTPAKSHGRMS-ZDUSSCGKSA-N 440.386 4.727 30 10 IJEE CCC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)CCOCC1 1708879768 CSIITDGVFMVVHY-UHFFFAOYSA-N 431.943 4.684 30 10 IJEE CO[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C#N)CC1)C(C)C 1711577394 DHSHUIZXNXKLMR-QHCPKHFHSA-N 439.604 4.700 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722340306 UEERHNFCIRRLHG-XMMPIXPASA-N 449.643 4.527 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C)c1 1722420866 MGCCSKSUYMJLGD-LJQANCHMSA-N 434.609 4.574 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1(F)CCC1 1722422483 XIQWVVQKLKGPRZ-UHFFFAOYSA-N 425.335 4.620 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1C(C)C 1722456887 IKAQVBKHPXTYOY-GOSISDBHSA-N 433.419 4.699 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722533192 KSYZYPQEVQUOLP-OAQYLSRUSA-N 442.510 4.983 30 10 IJEE C=C(Cn1c(COCC)nnc1N(C)Cc1csc(Br)c1)c1ccccc1 1722540655 GJHJCYHWHSXUSC-UHFFFAOYSA-N 447.402 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1722562580 DYQWPOYLCKPCJJ-CPJSRVTESA-N 440.588 4.857 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722566878 BMAKBOZRTDHRRY-NRFANRHFSA-N 425.577 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCn1cccn1 1722590249 BDGCVAKMYZSQLJ-UHFFFAOYSA-N 431.544 4.535 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722592626 WXQZMDWENYUQSY-CYBMUJFWSA-N 440.432 4.705 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCc2cccc(F)c2[C@H]1C 1722629207 NBNVSOZHMFGLSR-QGZVFWFLSA-N 426.561 4.786 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC(C)CC1 1722657860 QIPDAVUISKZGIG-DEOSSOPVSA-N 437.632 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC(F)(F)CO1 1722664208 SKYRINYRKDMMAM-GOSISDBHSA-N 448.514 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)CC=C 1740538575 IFMPGHVLFVVBAV-OAHLLOKOSA-N 431.378 4.776 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1CCC(F)(F)CC1 1740540669 XWTHGRSPKUEGBU-AWEZNQCLSA-N 437.332 4.991 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1740569184 DKYDQMPGFAWUTM-LADGPHEKSA-N 444.627 4.576 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC(F)(F)C1 1740643587 KYMIFHLIDLIJPG-LJQANCHMSA-N 440.538 4.663 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1740675001 ATXLRKZFQGENJD-GGAORHGYSA-N 445.032 4.889 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1740712382 GMKIORUIZWPMFS-OAHLLOKOSA-N 432.018 4.661 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC[C@H](OC)C(F)(F)F 1740729991 QOEXITJZMKNQQE-QFBILLFUSA-N 426.870 4.558 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CCC)CCc1cccs1 1740758242 VMMKCBINSXYJEE-DENIHFKCSA-N 437.613 4.842 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740792780 LUJZUIJMUSVIPN-QGZVFWFLSA-N 442.913 4.894 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2N(C)C)CC1 1740824557 OFBRYOHVEOTILL-OAQYLSRUSA-N 446.599 4.701 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)c2nccs2)CC1 1740841071 QJOIUQJMXNEGHD-GOSISDBHSA-N 437.613 4.735 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccco1 1740850310 GURJJKSKAOQCIE-MRXNPFEDSA-N 427.574 4.662 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740865898 TWKJPCPBQPIOJX-PKOBYXMFSA-N 438.494 4.678 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCC(F)(F)F)cc1)C1CC1 1740911136 OHMFYHLYMDXHPE-IBGZPJMESA-N 436.478 4.664 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1740912992 ADQHCBNLAAGDGS-ATZDWAIDSA-N 429.634 4.920 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CC1(O)CCCCCC1 1740936514 XLZSFBPXCOZGRF-UHFFFAOYSA-N 438.547 4.998 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cc(Cl)ccc2OC)C1 1740983392 HLJOPJDEIUMQOC-FQEVSTJZSA-N 430.980 4.502 30 10 IJEE CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)c1ccco1 1746080945 DEYPQWVFXGNPFY-NTKDMRAZSA-N 426.609 4.673 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(O)CCCCC1 1748655507 ZXFFUOGHJQBVJQ-QGZVFWFLSA-N 438.572 4.966 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-c2ccsc2)nc1 1748677958 ODZRZRWJVZQNHM-GOSISDBHSA-N 443.576 4.507 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1749096096 GKMOBZAJJJDKDD-UHFFFAOYSA-N 426.309 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CCSC1 1749139497 GFMBGHUTVMHBMQ-IPJJNNNSSA-N 444.670 4.802 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1749196514 SNUXHGXVXYXKNX-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1749218031 GYBYVUXZQSDGFY-IBGZPJMESA-N 441.601 4.897 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCN2CCCC2)CC1 1749286106 FKFSECMNYSOQDX-HXUWFJFHSA-N 444.023 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1 1749355178 CMFDIASUODJOBO-UHFFFAOYSA-N 447.631 4.858 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C)C1)c1ccccc1 1749384443 BPRRLBFAHXAIFB-CWKRKGSWSA-N 438.616 4.782 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1C(F)(F)F 1749408785 LQSLSEPUIHNTAV-UHFFFAOYSA-N 444.461 4.547 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](OC)C1 1749415882 VXMANXZSZLXXTF-CQSZACIVSA-N 425.758 4.552 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1749417329 BRZYYEJUGWVESE-HXUWFJFHSA-N 436.560 4.558 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2cccn2)CC1 1749417352 CPIYVZHTAWDFQU-UHFFFAOYSA-N 428.943 4.817 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCOC1 1749420667 JDMLNZWQYNNSDU-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1cccs1)N(C)C 1749470765 BZUHPQNJPVWCAN-KRWDZBQOSA-N 433.528 4.533 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCCS1 1749528140 FALCQNXIMOYUAM-JOCHJYFZSA-N 435.597 4.827 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCSC1 1749529250 AKQOZRXFGARYLE-UNMCSNQZSA-N 442.629 4.864 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1sccc1C 1749573113 LDTROCGZDXSEKY-UHFFFAOYSA-N 430.581 4.922 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCn2ccnc21 1749595007 XVBLYDDJYSBAKK-NRFANRHFSA-N 448.615 4.656 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CC)C[C@H](C)CC 1749653193 YBACSWOTBQNLEQ-OAHLLOKOSA-N 446.020 4.988 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCS[C@H](C(C)C)C1 1749689599 HRYIGDQVVCDXRY-VXKWHMMOSA-N 442.629 4.711 30 10 IJEE Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(CCC#N)CC2CC2)on1 1751976899 CAMUZCWYSQSBNK-UHFFFAOYSA-N 448.571 4.629 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1760134605 SJTLATCKHMYYOW-UHFFFAOYSA-N 442.489 4.805 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)C1CCCCC1 1760225462 QFJQYQQFZRHKPT-MHECFPHRSA-N 445.007 4.862 30 10 IJEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)c1cccs1 1760244247 OPKMMYFQSNTUSZ-UHFFFAOYSA-N 448.636 4.873 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1760308581 KWBLHNLOKSWVJW-HNNXBMFYSA-N 438.439 4.788 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760326433 XNJWTKJCFYDPCV-DYZUWXGSSA-N 438.616 4.874 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1760352176 QYBCJTAHNWIRCA-IAGOWNOFSA-N 433.394 4.701 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1760391336 ZENFSKIYQISDGR-JOCHJYFZSA-N 437.563 4.841 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](OC)C2CC2)CC1 1760397813 CVGTYBHQGSALSL-IBGZPJMESA-N 449.368 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(N2CCCCC2=O)CC1 1760409742 FWYMRGVBMKDHMR-UHFFFAOYSA-N 439.579 4.668 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC[C@H]1C 1760425388 LCYADQJQDLVBHX-RTBURBONSA-N 449.665 4.691 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760427236 UBYHVRITEONDTB-HSZRJFAPSA-N 436.648 4.713 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2ccnc21 1760478265 BFJAFPZXPUHKIN-NRFANRHFSA-N 448.615 4.842 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(N(C)C)nc1 1760491185 WJXZPFKQERPHET-UHFFFAOYSA-N 448.640 4.963 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H](C)c2ccccc2)C1 1760546871 XYYVHOFOIWPHII-AVRDEDQJSA-N 437.613 4.609 30 10 IJEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1 1767214492 AKCYVSHGYJBFRJ-OAQYLSRUSA-N 425.602 4.641 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OC)c2)SC1=Nc1nnc(C)s1 1772736890 JZRQUFMBZQLUKY-CTNAHEIOSA-N 444.582 4.824 30 10 IJEE CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccc(C(=O)O)c1 1772739622 VBFABFCLPUJUAN-OCFWRVAFSA-N 449.444 4.787 30 10 IJEE CCOc1ccc(Br)cc1C=NNc1nnc2c3ccccc3n(CC)c2n1 1772764813 FJTVYAKKULRDNK-UHFFFAOYSA-N 439.317 4.607 30 10 IJEE COc1ccc(Cl)cc1NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N 1858204665 IQFGFPNRYZBBIE-UHFFFAOYSA-N 443.912 4.516 30 10 IJEE CCOc1cc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 1860728845 OQOLEXJDAUNEDV-XBXARRHUSA-N 427.806 4.987 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C)cc1 1862380110 TXWGWXOZPKWSEJ-IBGZPJMESA-N 434.319 4.917 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862421785 PMARRFOUBCYAQO-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)c(O)c2)cc1 1862616363 BLUCEYYKVCPCKV-QFIPXVFZSA-N 447.487 4.767 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680702 IFXOJUAUMIMGAC-ADLMAVQZSA-N 432.835 4.764 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1Br 1862708544 XYSCWXBVPFCJBH-ORAYPTAESA-N 444.325 4.835 30 10 IJEE CC/C(=C\C(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(OC)cc1 1866688522 QWXYJSNCFYRPHQ-GHZVVNKJSA-N 439.515 4.856 30 10 IJEE CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(C#N)nnn1Cc1c(F)cccc1Cl 1870108985 FWVVBNOQLCSJIQ-AWEZNQCLSA-N 441.894 4.520 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)cc1C 1870146367 OYJUBRJISIANPB-UHFFFAOYSA-N 438.491 4.517 30 10 IJEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CN(CC)CCc1ccncc1 1870339503 CDRQJBPCYTTWAC-UHFFFAOYSA-N 437.971 4.726 30 10 IJEE N#Cc1ccc(COc2cn(CCc3ccccc3)c(CN3CCCCC3)cc2=O)cc1 1870349087 ZNZYGKYVOUKGGE-UHFFFAOYSA-N 427.548 4.528 30 10 IJEE CCCCCCCOc1cn(CCc2ccccc2)c(CN2CCC(CO)CC2)cc1=O 1870409379 QIKYSSULKQYMKJ-UHFFFAOYSA-N 440.628 4.645 30 10 IJEE C#CCOc1cn(Cc2ccco2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871008069 FQZXXGKHCXWQCH-UHFFFAOYSA-N 426.472 4.906 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)c(OC)c1 1871370862 CSBIAXHZNBLGTB-MSXFZWOLSA-N 446.455 4.613 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871436441 ZAJZBYYFSLYKQU-RANIVTSPSA-N 430.485 4.950 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)o1 1871439332 TVWIWHNRHNSQPL-MTJSOVHGSA-N 449.415 4.868 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871750989 PBHWTILLWMJMRN-CQSZACIVSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871757498 AEIKOZHMDFMIEV-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871964206 RVDJXMUCNMGENN-ZDUSSCGKSA-N 445.343 4.727 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872253288 CJCWWKUQJSSSQF-IBGZPJMESA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872560234 WQPKXTGWMYZGAU-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE C=CCNC(=O)c1ccc2nc(-c3cccc(OC)c3OCc3ccccc3F)[nH]c2c1 1872730081 JWXDWELJIMNTHZ-UHFFFAOYSA-N 431.467 4.872 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874303064 GFWAZJBCIWPPPT-NLRVBDNBSA-N 431.565 4.813 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OCC(=O)Nc1ccc(C)cc1 1874582247 FQHWYKFROLVHBX-XYOKQWHBSA-N 445.471 4.646 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)c(OC)c1 1874632386 GOGFMTSTHSHWAS-NTEUORMPSA-N 435.451 4.757 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1874702967 SOLMDJPJJRMQBQ-UKTHLTGXSA-N 431.444 4.956 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875109033 SLROEYXKFWCPGT-BDTMADQZSA-N 436.504 4.721 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CSc3cccc4cccnc34)ccc21 1890768937 VBEXOJIKGVLWOO-UHFFFAOYSA-N 447.560 4.903 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922100834 ADFNTNBMCMWYNC-XZOQPEGZSA-N 432.605 4.544 30 10 IJEE N#Cc1cc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)ccc1F 1951452662 XCTVHHGARVIIDL-GOSISDBHSA-N 444.462 4.794 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1955674408 NUUSIENROIUMBQ-GBXCKJPGSA-N 427.545 4.907 30 10 IJEE CC(C)[C@H]1[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CCN1C(=O)OC(C)(C)C 1962927210 APSGBHPAEARJBO-RDJZCZTQSA-N 436.350 4.541 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)[C@H](C)c2cscc2Br)C1 2130044722 PVUCTWRURTWOKU-CYBMUJFWSA-N 443.407 4.891 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CN(c1ccc(C#N)c(Br)c1F)C2 2174810023 HNZWNWRYBCSVQR-JLTOFOAXSA-N 438.341 4.591 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2184354673 LUHVNUXBMHPYLB-VWLOTQADSA-N 448.460 4.766 30 10 IJEE CN(Cc1ccccc1)[C@@H]1CCCCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2219964584 OTJQBDYVZYVGTG-JOCHJYFZSA-N 440.462 4.534 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1cncc(NC(=O)OC(C)(C)C)c1 2235721546 IZKIBMNRRSGCDF-LJQANCHMSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2ncc(Br)cc2C#N)C[C@@H]2CCCC[C@H]21 2240974081 WITPRSJGMFRZEY-RRQGHBQHSA-N 435.366 4.696 30 10 IJEE C=CC[C@]1(COc2c(N)ccc(F)c2Br)CCCN1C(=O)OC(C)(C)C 2272241594 CHUZNOWIOIQJJZ-LJQANCHMSA-N 429.330 4.895 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)ccc2C#N)[C@@H](C(F)(F)F)C1 2281042386 RSELLGSDMRDQMO-UKRRQHHQSA-N 448.283 4.745 30 10 IJEE CC1(C)OB(c2cc(NCc3cccc(Cl)c3Br)ccc2N)OC1(C)C 2282994983 OCISIAJZOQKCCG-UHFFFAOYSA-N 437.574 4.596 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(c3ccc(C#N)c(Br)c3F)[C@@H]2C1 2290258685 JDFRCCBZYUFXTJ-XJKSGUPXSA-N 438.341 4.686 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC12CCC(CC1)N2C(=O)OC(C)(C)C 2296218268 CHQXQIQOYXSTIS-FLPIEVNYSA-N 433.390 4.711 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc(C(=O)C#Cc2cccc(Br)c2)c1 2296232058 KBLZJBSZBFLAOQ-UHFFFAOYSA-N 428.326 4.751 30 10 IJEE CCC[C@]1([C@H](N)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296232990 SPHHFOJYJKYBPF-KNQAVFIVSA-N 435.406 4.945 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)CC1CC1 2296310498 KMDHOMBWJNLDQZ-UYAOXDASSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#CC1(SC)CCC1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299652408 VPCQEYVMWHFNHV-VXKWHMMOSA-N 446.657 4.754 30 10 IJEE COc1cc(C=C2SC(=NN=Cc3ccccc3C)N(Cc3ccco3)C2=O)ccc1O 2314818445 GBIWMSSXTFTBTP-UHFFFAOYSA-N 447.516 4.809 30 10 IJEE CCCN1C(=O)C(=Cc2ccccc2O[C@@H](CC)C(=O)O)SC1=Nc1nc(C)cs1 2314932750 PHLWRLSLESKOIB-HNNXBMFYSA-N 445.566 4.708 30 10 IJEE CC#CCN(C[C@@H](NC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2316103710 PQCTZTMNEPOTGG-CQSZACIVSA-N 433.749 4.763 30 10 IJEE CC1(C)C[C@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@H]1OCc1ccccc1 2317245317 RAZFUXKFZMQVAA-VQTJNVASSA-N 442.796 4.830 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3C2=O)c1 2323433506 OZFMNKHKKKRURU-UHFFFAOYSA-N 443.411 4.838 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)c(OC)c2)c1 2323510913 ADFKEYNAQFRFDJ-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)cc3C)ccc2C1=O 2324882837 OSOOJRNWYJJWLV-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(C(=O)OC)cc1)C2=O 2325086321 CIQOWRGCGYHCKP-LJQANCHMSA-N 438.476 4.508 30 10 IJEE O=C[C@@]1(Cc2ccc(I)c(Br)c2)CCC(F)(F)C1 2325224007 SANXLVHYXNZMPD-GFCCVEGCSA-N 429.042 4.601 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325721490 MJLRYMSWLPOUEX-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3cccs3)c2)c(OC)c1OC 2325786279 PPAHXPLPHSAVPP-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1c(F)cccc1Cl 2326766332 GLYISQFUYOHDJD-UHFFFAOYSA-N 446.935 4.839 30 10 IJEE O=C(N[C@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 2328098957 WXOMKTBRRMWWNS-HKUYNNGSSA-N 437.754 4.780 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1 2330700946 FBSKDVYIHFPSPO-UHFFFAOYSA-N 447.589 4.606 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1OC 2330721894 OGJICXQJHCNDTH-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2331051549 KASRNYJLBSYSDO-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccc1Cl 2331459734 QFIUJTXTQVCBIA-UHFFFAOYSA-N 434.009 4.553 30 10 IJEE CCCN(CCN[C@@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2338517264 DVBXZCLPQMJVDD-NRFANRHFSA-N 446.441 4.674 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2339539385 GZEDJITUAOGPKP-OTWHNJEPSA-N 441.381 4.536 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3ccc(Br)c(Cl)c3)C2)OC1(C)C 2342485957 QEWWNVNJRSBIDO-SFHVURJKSA-N 428.563 4.801 30 10 IJEE COc1nc(Oc2ccc(Br)cc2Cl)ccc1B1OC(C)(C)C(C)(C)O1 2365379088 FRDMVXKCEBROFQ-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE C=CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)Nc1ccc(C)cc1 15835344 BPNKYIWVUDYYDN-UHFFFAOYSA-N 431.565 4.884 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 35515185 XVNKRGJPCARKCA-QHCPKHFHSA-N 442.446 4.950 30 10 IJEE C=CCOC[C@H](O)CN(CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC 36248930 HPTDTPLSOVLANW-JOCHJYFZSA-N 429.605 4.599 30 10 IJEE CC[C@@H](/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H]1OC(=O)c2ccccc21 48548047 OKDODCRMNCLQOW-UEFSRMGGSA-N 448.544 4.616 30 10 IJEE CC(C)CCC[C@H](C)[C@@H]1CC[C@H](C2=C[C@H](O)[C@@H]3C[C@H](O)CC[C@]3(C)C2=O)[C@@]1(C)CCO 85967355 JBBOTAYOANLXIB-GLTBLYTASA-N 434.661 4.901 30 10 IJEE biogenic CCCCCCCCC(=O)N1CCC2(CC1)NC(=O)c1cc(Br)ccc1N2 102995965 FUXYTSMLZBLGIG-UHFFFAOYSA-N 436.394 4.674 30 10 IJEE CCCOc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2cccs2)cc1OCC 169913993 GJXXFCDRBUNBGS-MTJSOVHGSA-N 436.990 4.942 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2C)c1 169937210 MBOHSUPSDMVKNU-XMMPIXPASA-N 441.483 4.721 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 170053386 FRKNABSIJSAASB-HSZRJFAPSA-N 444.462 4.875 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2F)c1 170068983 LGWLTTKYMXRRGZ-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2sccc2C)cc1C 170107797 HHLZHBFTBOPFNY-FQEVSTJZSA-N 443.565 4.767 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(O)cc1 170132213 XRRFHZSYJJDBIO-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE CC(C)Oc1ccccc1N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 170179742 MGEVFANNNGBQJP-UHFFFAOYSA-N 425.941 4.967 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1ccccn1 170181030 ZRJWIYHFCMSYSW-HXUWFJFHSA-N 428.916 4.902 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(OCC)c1 170218190 MPKPMVNCLNUDTD-NRFANRHFSA-N 435.476 4.828 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 170224314 BRNOROFOFQUBGV-QFIPXVFZSA-N 428.444 4.940 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273776 MEPCBZQGQHEZGP-XUZZJYLKSA-N 427.500 4.906 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)cc1C 170274860 IPJKLFAETILBRS-XMMPIXPASA-N 442.515 4.876 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccco1 170296022 SUXFTCHVCVADGY-OAQYLSRUSA-N 435.451 4.823 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C)o2)cc1Cl 170310822 IAMRWPALFYJFSJ-FQEVSTJZSA-N 445.899 4.780 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(C)[nH]c2ccccc12 170311977 JXBMGDQVQNJZHT-JOCHJYFZSA-N 432.476 4.583 30 10 IJEE Cc1nc(NC(=O)/C=C\c2c(C)nn(-c3ccc(F)cc3)c2C)sc1SCC#N 208158406 BDHWWTCMXFETJH-HJWRWDBZSA-N 427.530 4.661 30 10 IJEE CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1ccc(C(=O)OC)cc1 252624952 PYYUBFNTSIZORH-UBLAJHMLSA-N 445.338 4.860 30 10 IJEE C=C(Br)COc1c(Br)cc(Br)cc1CNCCC 311071652 ZFJRXQYAXRDUMZ-UHFFFAOYSA-N 441.989 4.999 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCC 406679903 YMODUMMVEBMDIS-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE CC(C)n1nc(-c2ccco2)cc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 433906504 FTLHFELBWCNLJW-UHFFFAOYSA-N 434.500 4.502 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460933736 QTFJFISBXNBYHU-MHZLTWQESA-N 446.595 4.581 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 475548219 NHXKUFVQHXLHAN-UHFFFAOYSA-N 427.501 4.828 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H](C#N)c1ccc(OCc3ccccc3)cc1)CC2 475599932 CKXCQWPUGGGDSI-YKSBVNFPSA-N 428.536 4.598 30 10 IJEE COc1cc(C)cc(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C 488387282 NSTFMNMZBHDHFN-UHFFFAOYSA-N 425.539 4.972 30 10 IJEE C=CCn1c(N2CC[C@H](c3ccccc3OC)C2)nnc1C(F)(F)Oc1ccccc1 508928983 DQAYJFWRPDEXPK-KRWDZBQOSA-N 426.467 4.595 30 10 IJEE CCCCCCC[C@@H](C=O)/C(=N/N)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 514278049 SRZWDTFFRWQWJO-QJOKQGFGSA-N 440.540 4.761 30 10 IJEE C=CCn1c(SCc2ccn(-c3ccc(F)cc3)n2)nnc1[C@@H]1COc2ccccc2O1 525623168 ITRLHOZIBBZDJM-NRFANRHFSA-N 449.511 4.594 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2/N=C\c2ccc(C(C)C)cc2)o1 526830000 KIMUSGYZZFJHHE-QRVIBDJDSA-N 426.542 4.908 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 558994243 VDODAGYUIDTVCS-UHFFFAOYSA-N 428.483 4.558 30 10 IJEE CNc1ccc(C#N)cc1NC(=O)c1cccnc1Oc1ccc(F)cc1Br 560712313 XDGSFIPHNLNHTO-UHFFFAOYSA-N 441.260 4.941 30 10 IJEE O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1c([N+](=O)[O-])cccc1C(F)(F)F 563342199 RSNRZJAUMICHMF-UHFFFAOYSA-N 441.259 4.540 30 10 IJEE COc1cccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3cc(Cl)cc(Cl)c3)S2)c1 725389069 ZBZONPDIOQYHDE-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1 733200679 HJGGYEBXZPUBHU-IBGZPJMESA-N 425.941 4.632 30 10 IJEE C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807247779 FOMCRSYEBOCCGJ-HNNXBMFYSA-N 437.952 4.776 30 10 IJEE C#CCOc1c(CC=C)cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc1OCC 1083859543 ULWJRVDIXHOSFU-QNGOZBTKSA-N 436.508 4.857 30 10 IJEE CCOC(=O)c1ccc(N=Cc2cc(Br)c(I)o2)cc1 1084314104 MGHQBSRLNSQRQP-UHFFFAOYSA-N 448.054 4.574 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1127994994 REJBEWLOGZULCT-RVDMUPIBSA-N 440.425 4.577 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCC1(c2ccc(Br)cc2)CCC1 1142066327 UXBACBASWFVZBW-UHFFFAOYSA-N 430.342 4.874 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[C@@H]1C 1157137989 VQRXMMNVVTUNAW-MPMWTEJESA-N 438.955 4.951 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2)cn1 1163542716 MUHZQATXACTNLN-LJQANCHMSA-N 431.920 4.526 30 10 IJEE COc1ccccc1C[C@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1167543872 GDNJYDWXRYVMAZ-IBGZPJMESA-N 444.579 4.535 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)cc1F 1170229287 VVDCCHBMGLSDNK-QGZVFWFLSA-N 443.357 4.796 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)CCCc2cc(-c3cccc(F)c3)n(C)n2)cc1 1185719617 AZDRYHPOLHBBEU-UHFFFAOYSA-N 441.572 4.598 30 10 IJEE COc1ccc(Oc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cc1 1186086851 HSBODTIHDQPABW-UHFFFAOYSA-N 436.533 4.958 30 10 IJEE C=CCn1c(SCc2csc(Cc3ccccn3)n2)nnc1-c1ccccc1OC 1188123116 ZVHKCFJIPYMHBN-UHFFFAOYSA-N 435.578 4.874 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Cl)cc1-n1cccn1)c1ccc(Br)cc1 1203500365 MGDABBLIWBWQIF-INIZCTEOSA-N 429.705 4.784 30 10 IJEE C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1228452201 AZJRHYFRQBVAKC-LPHOPBHVSA-N 439.581 4.796 30 10 IJEE C=CCc1cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)cc(OC)c1OC 1273891730 MWFXWWBCJFRHMU-UHFFFAOYSA-N 442.313 4.633 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1286318310 NCWFVPFMJUGOQE-RTBURBONSA-N 426.586 4.588 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1286335302 JCQJADQJWKNMHH-WOJBJXKFSA-N 449.382 4.818 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCOc1ccccc1C 1286357812 BDOQOXHIEPQILX-FYYLOGMGSA-N 438.616 4.824 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCCC1 1286752976 PEKNHZQQKVAILU-UHFFFAOYSA-N 444.421 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC[C@H]1C 1286754066 PINOLGWFESQSHX-SJORKVTESA-N 431.378 4.559 30 10 IJEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1298376860 DVQULHDWAJLYGG-UHFFFAOYSA-N 438.413 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1(c2ccccn2)CCC1 1300557252 RKHSLYLCCYCJQB-DEOSSOPVSA-N 437.591 4.800 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1300603332 ZNFCJHLCKOOEEY-LJQANCHMSA-N 444.023 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1300897532 SFMDYYMCICBUCU-GCJKJVERSA-N 442.560 4.675 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1300979772 GLWKFUKSDJDWKV-VXKWHMMOSA-N 438.616 4.698 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301023030 ALVOXXDAKFSAPV-WBMJQRKESA-N 426.826 4.600 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1301029070 GHUMCZWAYMOWSL-UHFFFAOYSA-N 444.023 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1301150111 MWFHAMGMEQPKMC-JOCHJYFZSA-N 444.627 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1301155278 LEWHYAUTCJXPEK-NRFANRHFSA-N 430.637 4.635 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301246918 YRGZYTBQORILAI-YADHBBJMSA-N 438.616 4.698 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCC[C@@]2(CC=CCC2)C1 1301258844 BVVWMZXNEYFOST-VWLOTQADSA-N 440.563 4.916 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1Cc1ccc(COCC(F)(F)F)cc1)C1CC1 1301323159 FXTRRHSWBIMTMW-UHFFFAOYSA-N 443.473 4.622 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](C)c2nccs2)C1 1301540019 YURFEAQVZBRMJN-NRSPTQNISA-N 437.613 4.862 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[C@@H]2CC)C1 1301568915 ZBLHPLYJBYFXQG-ZSYZGHEHSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 1311828778 GDQBPZJVFKDZIW-QHCPKHFHSA-N 427.976 4.501 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1ccccc1COc1ccccc1Cl 1311973623 GCSLXNBUKSSYJD-UHFFFAOYSA-N 434.923 4.930 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 1312600714 DZLUKPDQQLNWBR-FQEVSTJZSA-N 439.357 4.621 30 10 IJEE CCCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1313508529 HPLZIFWLGDFUSN-KOSHJBKYSA-N 425.577 4.767 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCCN(c3ccccc3F)CC2)c1=S 1346099045 HOENMOHEIVTPGK-UHFFFAOYSA-N 441.551 4.715 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 1350952506 KWAOHFOIIKFESF-UHFFFAOYSA-N 440.478 4.847 30 10 IJEE C=CCC(F)(F)C(=O)Nc1sc(Cc2ccc3c(c2)OCO3)c(C)c1C(=O)OCC 1351526296 GWHCBRUKKCJXFE-UHFFFAOYSA-N 437.464 4.703 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3nc(NCc4ccco4)ncc3Cl)cc2)nc1 1357156649 HCYUJXLXCFAPDT-UHFFFAOYSA-N 446.854 4.646 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC1(CCOCC)CCCC1 1358882174 UUODOYXYSUXQJX-FQEVSTJZSA-N 431.584 4.938 30 10 IJEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N(CCC(F)(F)F)CC1CC1 1358933639 ZYRSOXOHYGMFHW-UHFFFAOYSA-N 429.490 4.863 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCC[C@H](C)C1 1358938976 NEDOHZMZWJYHMQ-UGKGYDQZSA-N 437.632 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1scnc1C 1359003411 JWPUQWFNPOQJDH-OAHLLOKOSA-N 425.627 4.599 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](CC)C1 1359052101 USQNVTICBUCBLA-INIZCTEOSA-N 433.419 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OCC=C 1359067300 ILHCUSQDTBDKKE-XMMPIXPASA-N 433.943 4.599 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1359161201 UHJOGLNYOCGCSV-AEFFLSMTSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2cc(OC)ccc2OC)CC1 1359178321 OMHXJLCQNKOGHN-QHCPKHFHSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCSCC(F)(F)F)CC1 1359181691 DJVPWFVZEVVLAN-UHFFFAOYSA-N 444.498 4.694 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCn1cccn1 1359184413 OHJCSWOUGNBWBS-UHFFFAOYSA-N 429.572 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC)[C@@H](C)C1 1359191560 DYUZRLUEICMDEW-NRFANRHFSA-N 425.621 4.607 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1359195469 MYROUDYKXLWYEP-ZEQRLZLVSA-N 431.584 4.629 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@H](OCCOC)C2)nnc1C(C)(C)C)c1ccccc1 1359195505 NPIIETGROUHBLM-VXKWHMMOSA-N 426.605 4.567 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1359213843 JDHUHLJPPIILEO-NRFANRHFSA-N 441.938 4.985 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCC[C@@H]1CCCCO1 1359256014 RSKGZFLNFGJSJN-DEOSSOPVSA-N 442.567 4.754 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCC1 1359256540 JFFZBNMTSRWBOU-QFIPXVFZSA-N 435.572 4.543 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1ncc(C)s1 1359274291 IHLLVCYKXAGGCJ-BHIYHBOVSA-N 429.634 4.944 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C)o1 1359310076 MCZHBVFDARQFKX-UHFFFAOYSA-N 429.524 4.799 30 10 IJEE C#CCN(C(=O)/C=C\c1cccc(OCC)c1)[C@@H]1CCOc2ccc(Br)cc21 1360557095 NBZINVBUINXDFF-ZRKSWWEUSA-N 440.337 4.847 30 10 IJEE Cc1nc(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@H](C)CC#N)sc1C 1360902217 DECUAQLGEURUSJ-ZIAGYGMSSA-N 440.642 4.991 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CCOc2ccc(Cl)cc2)o1 1361191019 DGQJXZDZQJKTND-UHFFFAOYSA-N 425.920 4.709 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(Cn3cc(Br)cn3)s2)cc1 1435909125 NYXDPUBZZFLKIU-UHFFFAOYSA-N 447.379 4.838 30 10 IJEE C=C(C)[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(F)c(F)c1 1435950299 CQMFTCMQYCQGNT-QHCPKHFHSA-N 445.469 4.770 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCC)cc1OC 1447576903 SDWCRFYINIXJSC-RPAADVPWSA-N 444.572 4.521 30 10 IJEE C=C[C@H](COC)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1459312757 LFZQGIFVXDWPIO-ANTGDGSKSA-N 433.614 4.714 30 10 IJEE C#Cc1ccccc1CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1460631056 AEVVTOJVQWCWBI-OAQYLSRUSA-N 434.536 4.976 30 10 IJEE CC#CCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1466461674 QTVBJRJBBORXIB-ISLYRVAYSA-N 426.516 4.882 30 10 IJEE C#CC1(NC(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1471525134 HMWHTEXJWYWFBE-LJQANCHMSA-N 430.548 4.614 30 10 IJEE C#C[C@@](C)(CC)N[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 1473488861 TVSFYSBYESQZDE-OFNKIYASSA-N 434.521 4.790 30 10 IJEE C=CCN(C(C)C)S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 1474885776 JAULNDCGJUIWTI-UHFFFAOYSA-N 428.323 4.966 30 10 IJEE CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1C#N 1475630458 GLSDTVFBFKXRKD-UHFFFAOYSA-N 430.888 4.964 30 10 IJEE CCc1cc(Br)ccc1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1476257851 BEYVCDJJMJHNPU-UHFFFAOYSA-N 427.346 4.674 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cc(OC)c1OC 1477657587 JLMCPGCYWARHND-IBGZPJMESA-N 430.932 4.799 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](Cc2ccc(OC)cc2)C1)c1ccc(Br)cc1 1478895971 HZNLIHHVNXVPNK-XMSQKQJNSA-N 441.369 4.796 30 10 IJEE Cc1ccccc1[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C1CCC(C)CC1 1478914585 HUWPFFUWILRULM-AJPKXHFHSA-N 431.584 4.661 30 10 IJEE C[C@H]1C[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1493309903 CAUHCTKJBWBPGO-DMUMMCEESA-N 441.551 4.501 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(CC(C)C)CC2)c1 1504123750 CLXOKVINRHPVSQ-DEOSSOPVSA-N 437.588 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1507541349 JFLFKLARTHBKNO-INIZCTEOSA-N 447.530 4.629 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCN1CCCC 1507680830 JJPYUFJHGWALDV-JOCHJYFZSA-N 444.627 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1Cc1ccco1 1507763275 SXHHEEWVFXRZEG-RUZDIDTESA-N 434.540 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCOC 1507796547 MHFLIOCGHCMBEW-SPEDKVCISA-N 444.645 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)c1ccc(F)cc1 1507812456 LWRGMJNTSPXRMD-RUZDIDTESA-N 444.595 4.838 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(Cc1ccnn1C)C1CC1 1507824415 BWXUDGLPZTZLSG-INIZCTEOSA-N 426.952 4.550 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(Cl)c1C 1507826453 OQFPOOUVXHMOSA-UHFFFAOYSA-N 434.975 4.929 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC=CO2)CC1 1507877467 BSHUEMHFMLQROU-QGZVFWFLSA-N 445.361 4.565 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(SC)CCOCC2)CC1 1507885644 JFQHLSXUWZLZPY-UHFFFAOYSA-N 433.021 4.591 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1507908822 HHGXYFBAWONIRH-SANMLTNESA-N 438.616 4.818 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1C 1507946497 RFHCKSZMUCZZCG-UHFFFAOYSA-N 446.555 4.740 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CCC(F)(F)F)CC1CC1 1507954977 SXNRKHDNSNRCJU-LJQANCHMSA-N 436.478 4.926 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1508009170 YDHZJQQFBOEHIJ-FQEVSTJZSA-N 438.597 4.619 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1508047257 AHZJORBFPKITEG-INIZCTEOSA-N 439.947 4.614 30 10 IJEE C=CCc1cc(CNC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)cc(OC)c1OC 1519361283 MNWBUIGYSAFFMB-UHFFFAOYSA-N 449.526 4.566 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](CC)[C@@H]2C)ccc1Cl 1529576379 YSIVQWGCLRNCNE-ROUUACIJSA-N 447.000 4.982 30 10 IJEE C=CC1(CC(=O)N[C@@H](C(=O)OCC)c2ccc(OC)c(Br)c2)CCCCC1 1536926686 LQIDJTMEZMQXAL-LJQANCHMSA-N 438.362 4.705 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCOCCC(C)C 1538976654 NZVPLLQCQVAFKA-GOSISDBHSA-N 437.613 4.898 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1539616960 SVWJZCCWDFBMHB-CDIGIKMISA-N 438.616 4.913 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1539686072 DHYBUVVBZOQPBQ-FQEVSTJZSA-N 445.489 4.696 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539688592 KEFQEMQTOTUNAC-GOSISDBHSA-N 449.393 4.544 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CC=C(C(F)(F)F)CC1 1539757965 FLCJSVZQAUKYCS-UHFFFAOYSA-N 445.489 4.573 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1539805727 OVTOVBGWUCLFOT-VQIMIIECSA-N 425.791 4.950 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1539974191 MSCJWHAYABLRGC-HXUWFJFHSA-N 439.585 4.556 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@H](SCC)C1 1539999877 UEZGJGRGSJUVOZ-KRWDZBQOSA-N 438.601 4.672 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCc1nc(C)c(C)s1 1540134335 QYLXJXCWCGKDAY-UHFFFAOYSA-N 448.571 4.988 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(Cl)s1 1540854611 SUAHZXCWDHHTGR-UHFFFAOYSA-N 426.771 4.583 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCc3c(cnn3-c3ccccc3)C2)s1 1541045262 GTMMFJXQYVYGFB-UHFFFAOYSA-N 445.013 4.609 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cccs1 1541991634 GUZLBUKAJDMQGN-DNVFCKCGSA-N 427.618 4.631 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(CC)CCC#N)c2)cc1 1542209437 BMBLHDFQCKTPAD-UHFFFAOYSA-N 427.570 4.514 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2[nH]cc(I)c2c1 1543381555 JPZPBNPJUIOENH-UHFFFAOYSA-N 446.288 4.610 30 10 IJEE CN(CCCn1c(CCc2ccccc2)nnc1N1CCC(CC#N)CC1)C1CCCCC1 1554280128 GRWPXYJWLBGDQF-UHFFFAOYSA-N 448.659 4.848 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 1556399283 IKLFELVUCXTYDQ-JYFHCDHNSA-N 429.564 4.926 30 10 IJEE C=CC1(CC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2OC)CN(C(=O)OC(C)(C)C)C1 1556552448 DWYSKHXCVCIJEV-AZUAARDMSA-N 428.573 4.808 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1558731227 UPPNUBKYZFAWRS-JOCHJYFZSA-N 438.593 4.766 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2ccc(Br)cc2OC)cc1 1559996813 GTCGWMPQSFAJFO-FQEVSTJZSA-N 427.342 4.605 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1562580689 BIFWKEDJUKYSGJ-NRFANRHFSA-N 431.492 4.690 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1564913348 JWFLMYMEMCDVFK-SFTDATJTSA-N 429.605 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H]1CC[C@H](F)C1 1587600248 WODJJEDWHBGKLR-BJLQDIEVSA-N 428.552 4.729 30 10 IJEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N(Cc1cccs1)Cc1cccs1 1587765861 MAEZFEABNXMBRF-GOSISDBHSA-N 426.611 4.915 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@](C)(O)[C@H](C)CC 1589251669 QNUOVUIWPZVHPZ-CTUHWIOQSA-N 426.630 4.668 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCCSC 1589305141 NHIWVCTXQSGJSZ-UHFFFAOYSA-N 446.418 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(CC)Cc1c(F)cccc1F 1589515832 SLDTZMLNHUDMFG-AVRDEDQJSA-N 439.510 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H](C)Oc1ccc(Cl)cc1 1589668838 DAWBYTRDYSHRIP-SFHVURJKSA-N 425.964 4.787 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2scnc2C)CC1 1594013002 APZLZMSFRJPPAA-KRWDZBQOSA-N 427.549 4.721 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(=O)N[C@@H](C)CC)CC1 1594035253 GDZZJIDSJBOCBE-ROUUACIJSA-N 441.645 4.593 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1594544538 KVOGUYBSAURLAS-HSZRJFAPSA-N 444.627 4.929 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1594732456 DLGSBPSWFFGQSN-LJQANCHMSA-N 441.620 4.931 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CCSC2)C1 1594829091 CHOQOORNQYPAFZ-QHCPKHFHSA-N 444.670 4.805 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1595034213 XYWRWUHJAZWXND-RDJZCZTQSA-N 431.378 4.535 30 10 IJEE C=CCN(c1nnc(COc2ccccc2CC)n1CC(F)(F)Br)C1CC1 1595070459 AAISIJNYLOQDGI-UHFFFAOYSA-N 441.320 4.562 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSc1ccccc1 1611319201 CUOAFVQUIAENLA-DFQSSKMNSA-N 427.618 4.727 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)cc1OC 1615601053 WPQOZBZHKKKECE-WQLSENKSSA-N 446.551 4.774 30 10 IJEE CNC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c(OC)c1 1618300755 IFZGAEVVZCLSPU-UHFFFAOYSA-N 435.867 4.624 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(Cc2cccc3ccccc23)C2CCCC2)c1 1621751855 QOWREMUKBWLUGJ-UHFFFAOYSA-N 448.588 4.889 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)ccc2c1 1622096428 OOJDVTMYULTRAW-GOSISDBHSA-N 431.330 4.848 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)CCCN1C(=O)OC(C)(C)C 1626339808 HWCWWICALPTQHM-RUZDIDTESA-N 446.538 4.539 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1CNC(=O)OC(C)(C)C 1628145829 PIPFUZMHMLVPMP-UHFFFAOYSA-N 425.529 4.940 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H](COC)c1cccc(Br)c1 1637869940 XZWIGBJSOFWNRF-HXUWFJFHSA-N 433.346 4.856 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 1640462843 CDHZGCVVGGCVLD-NRFANRHFSA-N 434.577 4.540 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 1642218850 FHKQAKSGUXXTCI-PMACEKPBSA-N 436.625 4.845 30 10 IJEE CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1642732705 HLRLMMFXNSDBIY-LJQANCHMSA-N 433.512 4.665 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC2(CCOCC2)[C@H]1c1ccccc1 1643425177 BZPBBTJGZBJCGJ-NTKDMRAZSA-N 435.593 4.731 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(C(=O)NC(C)(C)CC)cc1 1651183801 HMRLXYFDLUNOOB-UHFFFAOYSA-N 429.358 4.992 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCc3cc(F)cc(C)c32)cc1 1652760862 DSTIPGINZHFJOH-UHFFFAOYSA-N 446.526 4.813 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 1653814782 GNEAXOLFGAJXJO-IBGZPJMESA-N 428.323 4.907 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2ncc(Cl)cc2Cl)CC1 1654039282 FCCPRIVKRDDXCZ-GOSISDBHSA-N 440.172 4.533 30 10 IJEE CC1(C)CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 1664168126 IFSGLNSKNLDDFW-GOSISDBHSA-N 444.519 4.661 30 10 IJEE Cc1ccc(C[C@H](CO)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C 1666028343 FYLJPALCVOOLDG-RUZDIDTESA-N 443.547 4.674 30 10 IJEE CCOc1ccc([C@H](NS(=O)(=O)c2ccccc2C#N)c2cccc(Cl)c2)cc1 1668159999 CHSNZFMLSUKVCD-QFIPXVFZSA-N 426.925 4.678 30 10 IJEE C#CCN(C(=O)Nc1ccc(CSCC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1670089391 PBRZREOBODKDCF-UHFFFAOYSA-N 431.602 4.806 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)NCC[C@@H](O)C(F)(F)F)cc1 1670991776 DXAZUCBUDBAUBC-MRXNPFEDSA-N 429.851 4.798 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 1674189811 OLPNKHLBUMMKLX-UHFFFAOYSA-N 432.568 4.559 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC(C)(c3cccc(Br)c3)CC2)CC1 1678668825 VWUBKRUAYLNONZ-UHFFFAOYSA-N 434.422 4.553 30 10 IJEE C#CCOc1ccc(CNC(=O)NC(Cc2ccccc2F)Cc2ccccc2F)cc1 1679211027 MCMYRLDZKNLLDV-UHFFFAOYSA-N 434.486 4.630 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 1680097651 YBCANKAXDNQFLN-ZIAGYGMSSA-N 438.391 4.568 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(C)C 1681568416 XDOWCSSCFQUSDF-LAUBAEHRSA-N 439.431 4.570 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@H](OC)C1(CC)CC 1685832628 BXMPDBUQZGJAIX-ROUUACIJSA-N 427.358 4.880 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)c1ccc(Cl)cc1F 1686922813 QSDJDGOOWXEETP-FUHWJXTLSA-N 436.712 4.858 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1689881234 KMEXDZDTHWUOMP-UHFFFAOYSA-N 433.625 4.695 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(COC(C)(C)C)c1 1689976834 ZUCSVVKKMJAKTE-FGZHOGPDSA-N 438.616 4.630 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCS1 1690064920 CZZFRGVKCDTEJE-CQSZACIVSA-N 439.810 4.716 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cnccc2OC)CC1 1690364715 VYSYUQBTJWJDBA-HXUWFJFHSA-N 433.556 4.643 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H]1C)c1ccccc1 1690447529 QZZFRJHVTYIVBD-SFHLNBCPSA-N 449.624 4.864 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](F)COC 1690586025 DMSNCQGYFQZVBU-CQSZACIVSA-N 443.748 4.524 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1691529397 ABYKNJQWMAAPBK-UHFFFAOYSA-N 433.398 4.848 30 10 IJEE CCOc1ccc(CCn2c(CC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc1OCC 1696123061 ACNHXMKFFOEYJS-VWLOTQADSA-N 439.604 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1csc(C(C)C)n1 1705477479 OOFBIYNMLAVXIX-IRXDYDNUSA-N 441.576 4.838 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1705540354 WLWICJIBXLUVPI-JMJGKCIBSA-N 436.600 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(CC)s1 1705594162 SDQIXIUDQZPSJN-UHFFFAOYSA-N 425.561 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(C)CCCO1 1705671655 SBFZKTOKAINXGT-FTJBHMTQSA-N 436.600 4.931 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCCCO 1705696285 MMCVNIKZJMLAPB-GGAORHGYSA-N 440.632 4.823 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C)CC1 1705730268 GKUKBRYRBFSWBA-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@H]2CC2(F)F)CC1)c1ccccc1 1705741019 DILJXPBAMHQACA-NQIIRXRSSA-N 446.542 4.587 30 10 IJEE C=C(Cn1c(COCC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1 1705743556 AOULAXNFYAQTLD-UHFFFAOYSA-N 448.411 4.849 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C)CC1)c1ccccc1 1705797687 AGLCHGKPNUESIA-AZOUXBGGSA-N 438.616 4.988 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1705800069 NLYDTWKUDRBDCP-YJBOKZPZSA-N 442.457 4.681 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1705818206 CPGSVRGRIHQPND-IBGZPJMESA-N 434.588 4.684 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCCN(C2CCCC2)CC1 1705912351 HKTSOJQUJXUWBQ-NRFANRHFSA-N 437.632 4.859 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1705915450 KDTHQTNQLKPGDR-UWXQAFAOSA-N 438.616 4.805 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCN2CCC)C1 1705918543 LJYLBTMKIDMGKR-VQTJNVASSA-N 444.023 4.644 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1722452809 WUJZVQZXFWEFHO-QZTJIDSGSA-N 440.544 4.511 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCc2ccccc2[C@@H]1C 1722487163 LBMSSXVNXFOTMS-AWEZNQCLSA-N 444.402 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1cccs1 1722510963 WDOVJWMORTZAMA-UTKZUKDTSA-N 443.642 4.703 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ncc(CC)s2)CC1 1722559868 KLSRSFSMBKABPW-MRXNPFEDSA-N 427.549 4.781 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](CC)OC)CC1 1722575232 BFRWQVPXRIRIOC-HXUWFJFHSA-N 428.577 4.568 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)CCC(C)C)CC1 1722579291 NEBAADYGFXMJIF-RUZDIDTESA-N 426.605 4.755 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCOCC 1722607545 WYAJHAZWOVAUKV-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1(OC)CCCCC1 1722657948 CEPSQJAWPOXGRD-UHFFFAOYSA-N 448.615 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CCc1cc(C(F)(F)F)ccn1 1722670084 XRHQTTYGMCVBMS-UHFFFAOYSA-N 431.437 4.919 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1722671081 IFEIQRBTMOAZTM-URVUXULASA-N 441.645 4.843 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@@H](C)c1ccc(C)cc1 1722676917 OYYHFEZNONMYBL-HXUWFJFHSA-N 428.540 4.675 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1722741119 AJWUDIZVUHWCET-NRFANRHFSA-N 446.064 4.506 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCCc2cccc(C)n2)c1 1724175445 GEZPSWGOXFBQGP-OAQYLSRUSA-N 432.572 4.549 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1Cc1sccc1C 1730749799 CFLMDABOKZGXAV-UHFFFAOYSA-N 447.564 4.789 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)C1CCCCC1 1740713652 OMMBFVNNEQMLCU-UHFFFAOYSA-N 442.629 4.876 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCCCN1CCCC1 1740733914 OGYJQNPCOIADFE-HHHXNRCGSA-N 449.643 4.732 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(CC)CCc1ccccc1 1740745994 BLNKMEITWJUMRC-UHFFFAOYSA-N 446.418 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CC=CCC1 1740753485 KQEXCDWYMKBZLO-DWLFOUALSA-N 437.544 4.627 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740884384 ZHJXFLMGRBDREZ-SFHVURJKSA-N 441.601 4.842 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(F)(F)F)CC1 1740889206 XBXBUYKWRSYERH-UHFFFAOYSA-N 438.494 4.537 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2(F)CCC2)C1 1740973504 YNTNDYILCPXTSC-MSOLQXFVSA-N 432.515 4.621 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2ccncc2)C1 1740975837 QMXLJCOYGLQMAG-HSZRJFAPSA-N 431.584 4.662 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C1 1740984868 LBZHUVOHUUKRQQ-DENIHFKCSA-N 449.020 4.578 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC(=C)C 1741003222 PRVFCISLISHPTR-LJQANCHMSA-N 449.665 4.714 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1741005217 FPPPTJFKIIFHOX-HXUWFJFHSA-N 428.646 4.864 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)C#N 1741127381 AUCPYBNRXWQVKH-GUXCAODWSA-N 433.959 4.785 30 10 IJEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1743175587 DDQUHCFFKZIPGA-XMMPIXPASA-N 444.583 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCC[C@H]1C 1748640917 YNRNXQBNYDDEFE-XUMLPFHTSA-N 430.980 4.571 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC1CCC(OC)CC1 1748667319 RIIDCHIHHRTWJO-LWEYNCJUSA-N 433.556 4.653 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1748730454 MZMFTOGYIFQVDD-VAMGGRTRSA-N 434.575 4.872 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC(C)C)C1CC1 1748750412 GAHQTBVQGVWURT-HXUWFJFHSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1coc(-c2cccs2)n1 1748829360 AIRZJYNALHUHNG-NRFANRHFSA-N 441.560 4.658 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1749032873 SNGVAOBDGFLAHR-ICSRJNTNSA-N 435.597 4.981 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCSC(C)(C)C1 1749134980 AVGFDCKBDWUELG-JTHBVZDNSA-N 440.657 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1c[nH]c2ccccc12 1749373172 GJBCISLCBXESQI-UHFFFAOYSA-N 434.588 4.511 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1C[C@@H]1CCC2(C1)OCCO2 1749528610 WJFSDNSWZTVPSN-TZIWHRDSSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1ccc(OC)nc1 1749545171 WCZCHJKJXFGIFK-UHFFFAOYSA-N 435.547 4.794 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc(C(F)(F)F)cs1 1760164695 YDBDWXCZPQWJMK-HNNXBMFYSA-N 449.502 4.628 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1CC 1760245239 WSWMJJWSNWQNLJ-IEBWSBKVSA-N 445.405 4.620 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1760320317 XBHFILWAFCBQIR-GREBRCKQSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1760323289 BVHYYFDBYJAQAD-OFNKIYASSA-N 439.560 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1760400267 URDPBZINXKSEMW-NRFANRHFSA-N 430.600 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@@H](C)c2ccc(F)cc2)nnc1[C@@]1(OCC)CCOC1 1760416301 ZSJPILZZJATHNM-MHECFPHRSA-N 430.568 4.869 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1760423137 XYFMFHSYMIDVQN-FQEVSTJZSA-N 442.514 4.978 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760433096 QDXXGGQOXGXLRF-QYZOEREBSA-N 432.012 4.957 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)C(F)(F)F 1760460037 ONHNJJHVYUEKFX-UHFFFAOYSA-N 426.483 4.953 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C)(C#N)CC1)C(C)C 1760490525 YZQBJFIRXCRNAX-OAQYLSRUSA-N 426.653 4.695 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1[C@@H]1C[C@H]1CF 1760503536 ABSOTBJIWJIDGM-FUHWJXTLSA-N 430.524 4.982 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCOC[C@H](C2CCC2)C1 1760560179 PKDZCBOEPZAUQH-DHIUTWEWSA-N 440.657 4.992 30 10 IJEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1765197635 DEVQONHDQIWOPY-RDPSFJRHSA-N 444.583 4.800 30 10 IJEE CCOc1ccc(CCn2c(C3CCC3)nnc2N2CCC(CC#N)CC2)cc1OCC 1767554345 ASLXCBOZTYCOOV-UHFFFAOYSA-N 437.588 4.716 30 10 IJEE COc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC(C#N)CC2)c(C(F)(F)F)c1 1768680219 HKVNDROSFKZGLC-UHFFFAOYSA-N 447.505 4.826 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCOC)cc1 1862385146 IRWRDKBCZJJHBH-IBGZPJMESA-N 434.319 4.781 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 1862474789 UZZGNZYGMTXLOR-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862518790 TXCYPWADEJWUMN-BTYIYWSLSA-N 438.480 4.760 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862686685 BSCZGMNBTKIWOL-XMMPIXPASA-N 427.500 4.825 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1F)c1ccc2ccccc2c1 1862711966 GVHNOBBLBHYXRF-WMZHIEFXSA-N 449.453 4.875 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl 1862739263 VBWZPAHHCWRTBL-LJQANCHMSA-N 428.872 4.873 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C(C)C)cc1 1862760110 HAEXHSGGLSBEAM-OAQYLSRUSA-N 438.480 4.760 30 10 IJEE CCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCCCN(C)C)C1=O 1863739974 GKONNQMTABMWRQ-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE CN(CCc1cnc[nH]1)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2Cl)n1 1868426602 ZABXDSDBRBDPGC-UHFFFAOYSA-N 429.915 4.814 30 10 IJEE C=CCN(CC=C)c1cc(N2CCCc3ccc(N4CCCC4)cc32)nc(CCOC)n1 1869112439 LHQBRAQUQZJKCH-UHFFFAOYSA-N 433.600 4.528 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)CCCOc2ccccc2Cl)c(C)c1 1870105987 RIGDKRAFHMCEIN-UHFFFAOYSA-N 437.931 4.574 30 10 IJEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3nc5ccccc5[nH]3)C4)C2=O)o1 1871355824 YHIVFXRGMSGYAO-FBHDLOMBSA-N 427.460 4.741 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1C)C2=O 1871392678 MFOZUNFBVACMIW-JCMHNJIXSA-N 437.536 4.790 30 10 IJEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666264 DNLAUDRJJYIDJH-UHFFFAOYSA-N 448.615 4.876 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871990756 KDLBDUWWJFUICD-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872257379 FRXWAPYTNFETAW-MRXNPFEDSA-N 438.952 4.608 30 10 IJEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1 1872761591 QUFSGJBXDNNAFV-INIZCTEOSA-N 437.477 4.788 30 10 IJEE COc1cc(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SC)cc(Cl)c1O 1874281576 QACNYJSKBGZSRJ-SSDVNMTOSA-N 437.352 4.688 30 10 IJEE Cc1ccc(CSc2nnc(COc3ccccc3)n2/N=C/c2ccc(O)cc2O)cc1 1874382447 PWLAMWFNBCHXSV-AFUMVMLFSA-N 446.532 4.751 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(O)cc1O 1874410345 OUQUEVLOEBKODR-YDZHTSKRSA-N 436.562 4.825 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cc(C)ccc2O)cc1 1874454285 JFQLHAPORYCOOJ-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(F)c2)cc1 1874454288 JJYNMSZITGVQFX-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)c1 1874467198 WSLQEJKOWIHOHO-LFVJCYFKSA-N 434.521 4.772 30 10 IJEE COCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(F)cc1F 1874475790 RXDAHYLUMPMDKC-YSURURNPSA-N 440.878 4.712 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1c[nH]c2ccccc12 1874508733 SBABKHHOSDDHMX-DHRITJCHSA-N 443.536 4.535 30 10 IJEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(SCCCO)nnc2C(C)C)cc1 1874515975 ZDRDRRXBJWOBMI-KOEQRZSOSA-N 437.613 4.785 30 10 IJEE CCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 1874528426 JGVCBKDMUIPDKH-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875085084 OMKMAUAKYOTUBF-OVCLIPMQSA-N 447.443 4.874 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cc(OC)ccc3OC)cc2)c1 1875145408 KWOJSFCALXXKKL-UKTHLTGXSA-N 448.471 4.593 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1890836137 FADYXOXSVNCJPB-UHFFFAOYSA-N 447.542 4.909 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCC[C@@H](c3ccccc3)C2)CC1 1892315737 ZRQWDONQTWPJGI-HXUWFJFHSA-N 446.576 4.897 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cc(Br)ccc1Br 1916313925 AHVJPHQCMXZCFZ-UHFFFAOYSA-N 437.957 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cccc(OC)c1Br 1927271335 RNKUXFRSRVJDIB-FGZHOGPDSA-N 434.374 4.632 30 10 IJEE C#Cc1cccc([C@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951840363 WERJDOIYGJYUBF-MHZLTWQESA-N 425.484 4.897 30 10 IJEE Cc1cc([C@]2(C(=O)O)C[C@@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 1952773287 UZIOEIIGCGBMGY-RPLLCQBOSA-N 438.483 4.500 30 10 IJEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)c1ccccc1 1984696034 TWHDJAPBNDIYAE-LJQANCHMSA-N 439.515 4.860 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)O1 2018244411 ZINCFTBFAKLDFU-ZLNRFVROSA-N 432.605 4.590 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C2=Cc3ccccc3C2)CCN(Cc2ccccc2)CC1 2028572868 RDJGCUQMKWNESS-UHFFFAOYSA-N 432.564 4.755 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(C#N)(N(C[C@H]1CCCO1)C(=O)OC(C)(C)C)CC2 2030099443 DZSVRVCPQGDHLA-QCIQUOFJSA-N 449.592 4.522 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1C 2079021829 AKCDTRCIDPBYPJ-SJTXTDJHSA-N 445.251 4.850 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)c(F)c1 2079089464 DNEBBHNHWVPAFP-MRXNPFEDSA-N 435.284 4.858 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1 2118192975 VMEAWZRRVYSQFT-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1c(F)cc(Br)cc1F 2170705144 DKNBHRPTNZFFIQ-NHCUHLMSSA-N 440.328 4.902 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CN(c2cc(Br)cc(C#N)c2)C2CC2)C1 2174811690 BGZVCRDOBHGKQH-HNNXBMFYSA-N 434.378 4.937 30 10 IJEE C[C@H]1[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](C)CCN1C(=O)OC(C)(C)C 2200693445 NBLVYGBKEKTDJZ-IGCXYCKISA-N 436.350 4.541 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2211274353 NSTCFTNIBUFCFW-CKFHNAJUSA-N 435.487 4.714 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](CC1CC1)NC(=O)OC(C)(C)C 2235722511 AHMKBHXUMGUBJX-UXHICEINSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C 2237103945 SJUXWLVMESKEPM-DENIHFKCSA-N 433.390 4.734 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O)C(C)(C)C 2267802519 UXSIQDIFYLGYRB-GOSISDBHSA-N 437.389 4.768 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@@H](N)C#CC1CCCCC1 2289692247 HAFAYZOUTXANLY-VQTJNVASSA-N 435.406 4.796 30 10 IJEE CCOC(=O)c1sc(NC(=O)C=Cc2ccc(OCC)c(OCC)c2)c(C#N)c1C 2293190735 PQMLPMGZIAZOAL-UHFFFAOYSA-N 428.510 4.554 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](N)(C#Cc3cccc(Br)c3)C[C@@H]21 2296226700 HXZOSSAKPGEJGM-ZWCUEREDSA-N 433.390 4.698 30 10 IJEE O=C1SC(c2ccccc2)=CC1=CNCCNC=C1C=C(c2ccccc2)SC1=O 2297227433 FGHLAHKYCWIRQI-UHFFFAOYSA-N 432.570 4.562 30 10 IJEE O=C1C(=CNc2cccc(F)c2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 2297378382 IYEWUVVGFJQUTB-UHFFFAOYSA-N 432.473 4.513 30 10 IJEE Cc1cccc(N=C2SC(=C3C(=O)N(C)c4ccccc43)C(=O)N2c2ccccc2)n1 2314540384 OXEDTJAOBJOOOL-UHFFFAOYSA-N 426.501 4.545 30 10 IJEE COc1cc(C=C2SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc(OC)c1O 2314540607 UNMTXLLKQSRYPR-UHFFFAOYSA-N 447.516 4.921 30 10 IJEE CCCCOc1c(Br)cc(C=Nn2c(C)nnc2SCCC)cc1OC 2321173243 AMLJHAJJYKEWRE-UHFFFAOYSA-N 441.395 4.921 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2C(C)C)cc([N+](=O)[O-])c1OCc1ccccc1 2323580556 HLXKDJPPNASZOO-UHFFFAOYSA-N 441.513 4.501 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccccc2OC)cc1OCC 2323702427 BPHKINVKZUBDQX-UHFFFAOYSA-N 431.916 4.548 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O)C(=O)O 2324781236 WFUXZSNXCZYPBK-OAQYLSRUSA-N 435.476 4.825 30 10 IJEE O=C(COc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)Nc1ccc2c(c1)OCO2 2325182189 JYZHORSRTDDRHU-UHFFFAOYSA-N 441.439 4.605 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)cc1OC 2325739941 YJYVOGQPPXSSCR-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccc(C)c1 2325919252 GEARASLNEIUYED-JOCHJYFZSA-N 445.592 4.653 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2327674315 BVYQRDGFRCLAEH-UHFFFAOYSA-N 429.889 4.579 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccc2c(c1)OCCO2 2330845685 PAJHRQLTILBGMJ-UHFFFAOYSA-N 440.544 4.952 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)c1 2331122597 JGXZWGHTSXOSOM-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2)cc1C 2331364791 WYFLENSHRPLTHI-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339577568 UREVINGMPSXDEM-IEBWSBKVSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(Br)cc1C#N 2355483809 GYOIYYWKJUMUGP-KYNGSXCRSA-N 434.378 4.588 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364786076 KOYLFVXJWAMOIO-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE CCCCC#CC[C@H](OCCCN)c1sc(Cl)cc1I 2366685505 JNZZHQAEPWSFGF-ZDUSSCGKSA-N 425.763 4.996 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 2459092 JMYQJSLOTYTSRC-FQEVSTJZSA-N 429.900 4.679 30 10 IJEE C=CCNC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1C 8621084 LESCFWZQBWKAQX-UHFFFAOYSA-N 447.585 4.817 30 10 IJEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/c2ccc(Cl)cc2)[C@H]1N1CCOCC1 15861710 XVZRZSOZALFLCW-KZLURRSOSA-N 438.984 4.816 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)c1 33407333 KIXBNURMVBOJMB-NRFANRHFSA-N 434.517 4.710 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c1 34954236 JEGFSXPDQOMZKA-TWGQIWQCSA-N 432.428 4.548 30 10 IJEE C=CCc1ccc(OCCCn2c(CCCNC(=O)CC)nc3ccccc32)c(OC)c1 40204041 RFFTVRQVGPGFAX-UHFFFAOYSA-N 435.568 4.701 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4C)cc(C)c3C2=O)cc1 41284842 HPAJOCYHDIHGOO-XKZIYDEJSA-N 428.440 4.925 30 10 IJEE O=C(COc1ccc(Cl)cc1Cl)NCC#CCOc1cccc(C(F)(F)F)c1 90730423 LHWDGVCHDCAHDE-UHFFFAOYSA-N 432.225 4.590 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)c1 169957540 NMFXIYDQTSZKON-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169962469 DSFVBFOWEONRJU-QHCPKHFHSA-N 429.472 4.806 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972542 DZBHOGRDJYHUDW-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccs2)c1 169989120 RQWCROOJXDPRDG-NRFANRHFSA-N 435.501 4.544 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccnc2)c1 170012466 FSUWLDFNQBWTAF-XMMPIXPASA-N 437.499 4.958 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccncc1)c1ccc(F)cc1 170018339 HAOUXZKRLYKSHX-IBGZPJMESA-N 426.806 4.796 30 10 IJEE O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170053053 DBSUEMSGVOOBNH-JOCHJYFZSA-N 447.874 4.750 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccccc1OC 170125494 BKIAFAZIAWWIMO-IBGZPJMESA-N 429.900 4.654 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1OC 170133039 QZFNCHJCGUQRFX-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccn1 170169741 ZVHYIFMHALJYPK-OAQYLSRUSA-N 432.451 4.629 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccccn3)oc12 170173338 LVPLJJNWDNLMIR-NRFANRHFSA-N 426.428 4.619 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1 170173738 QBQCDJAYCRDQRC-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)c1 170183211 FXAPWYUWHGCJSO-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccnc2)cc1C 170186424 NHFAVYPACWCGKI-QHCPKHFHSA-N 444.487 4.667 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)c(OCC)c1 170203339 MICFHWHZBJEBHN-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170229510 HKFIJWHNWVHGRE-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1 170260663 QHRTUWYLPJOIGG-QFIPXVFZSA-N 433.460 4.551 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1cn(C)c2ccccc12 170269663 GJLWFDJHGSTRMD-HSZRJFAPSA-N 432.520 4.874 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170445378 WDJLVRXLPHPIKL-QHCPKHFHSA-N 446.503 4.916 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1c1cccnc1 217191495 MRLYYDSAWQANQH-IMSXRSKXSA-N 444.922 4.549 30 10 IJEE Cc1nn(-c2ccccc2[N+](=O)[O-])c2c1C(=NNc1ccccc1[N+](=O)[O-])CC(C)(C)C2 254871808 ASGNNFWOAZHBRF-UHFFFAOYSA-N 434.456 4.786 30 10 IJEE C=CCn1nnc(CSc2ccc(OC)cc2)c1CC(=O)Nc1cccc(Cl)c1 334163031 UTURXDWUWCFFLI-UHFFFAOYSA-N 428.945 4.600 30 10 IJEE CC1(C#N)CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CC1 436587372 YJOGKMYCWFNTFK-UHFFFAOYSA-N 432.307 4.717 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC2(CCOCC2)c2ccccc21 460375126 XOHLTJXXJFRWBT-UHFFFAOYSA-N 446.551 4.738 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)N1CCC[C@H](C)C1)C(C)C 489679606 BGYSIULEYUBMLB-UGKGYDQZSA-N 442.629 4.727 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)O[C@H](C)C2 505916605 GPJHIHJPHACAEO-ISHJAKKSSA-N 444.453 4.912 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 509009447 BYPACDUBMNFPGY-AWEZNQCLSA-N 432.981 4.542 30 10 IJEE C=CCN(C(=O)c1sc(-c2ccc(OC)cc2)nc1C)c1nc(C(=O)OCC)cs1 522181644 LNZCGWHCTZOKGZ-UHFFFAOYSA-N 443.550 4.593 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526772172 DZEYZIBFQITACC-QFIPXVFZSA-N 448.906 4.895 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc(OCC(C)C)c1 526828695 LDFAGZOFSRIIMK-QRVIBDJDSA-N 439.541 4.958 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OCC2CCCC2)CC1 549261617 CHXJWKOHSKSMTG-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC(n2cc(Cl)cn2)CC1 549263208 UNRATPQLQZYDGK-UHFFFAOYSA-N 431.009 4.782 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 571228368 DVTSRHWRCAFQOP-FQEVSTJZSA-N 439.903 4.661 30 10 IJEE N#Cc1ccc(CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586208566 LGTQCJYPTLJNDD-UHFFFAOYSA-N 445.859 4.654 30 10 IJEE C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1cccc(C#N)c1 610356285 NQIMBQYZWUIDMQ-IFXJQAMLSA-N 445.304 4.771 30 10 IJEE O=C(N[C@H]1CCC(F)(F)C1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 681095151 ULLNPKLNEKLTHK-UONOGXRCSA-N 446.338 4.995 30 10 IJEE C=CCC1([C@H](Cc2cc(F)cc(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 722918375 NLKYWDPDNQLRLM-SFHVURJKSA-N 441.385 4.922 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 733202660 VFVIPBVWLXIQIH-GOSISDBHSA-N 447.894 4.602 30 10 IJEE Cc1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc1NC(=O)NC(C)(C)C 741050119 CRRQESXLSREGPP-UHFFFAOYSA-N 429.904 4.828 30 10 IJEE C#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 758653479 QBNSQVJUAUGDFF-JOCHJYFZSA-N 444.560 4.631 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@]3(C)[C@@H](C2)C3(F)F)c1=S 793522123 CYRHITYJLPAIJY-VQIMIIECSA-N 440.947 4.767 30 10 IJEE CCN1C(=O)COc2ccc(/C(=N/OCCCOc3ccc(Cl)cc3)C3CC3)cc21 821233417 WXCLTYNMSQNGQG-WJTDDFOZSA-N 428.916 4.685 30 10 IJEE C=CCc1cc(OCC)ccc1OC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 918484207 VIHBAUBYQFVYEI-UHFFFAOYSA-N 433.957 4.987 30 10 IJEE C=CCCC[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccccc1 1124235301 HVDXUFBUZLKKST-YUIBMZAKSA-N 434.561 4.979 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccc(OCCCC)cc2)CCCN1C(=O)OC(C)(C)C 1125168325 YFDJDSZZZVBWRJ-RUZDIDTESA-N 430.589 4.870 30 10 IJEE C#CCN(C(=O)c1ccc(C(C)C)nc1C)[C@@H]1CCOc2ccc(Br)cc21 1126227681 CYLPQUKMKQDILA-HXUWFJFHSA-N 427.342 4.875 30 10 IJEE C=CCN(C(=O)c1cncc(-c2ccc(OC)cc2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1128004139 FNVDKUWZCQYGAM-RUZDIDTESA-N 444.531 4.560 30 10 IJEE N#C[C@]1(F)CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Br)cc23)C1 1128018932 HRIKRWVKIFQSDL-JOCHJYFZSA-N 440.316 4.994 30 10 IJEE COc1ccc(-c2ncc(C(=O)OCc3cc(Br)cc(C#N)c3)s2)cc1 1128461904 CECKRNQVAXSEEH-UHFFFAOYSA-N 429.295 4.810 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21)c1ccc(Br)cc1 1129610100 DXFCAIHBHRCWFJ-INDMIFKZSA-N 445.154 4.588 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1141708669 PWDZMZMWRMAVSC-OFNKIYASSA-N 433.017 4.846 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4c(ccc(Cl)c4Cl)C3)n[nH]2)c1C 1142947793 BCYHZLBPVLZDJT-UHFFFAOYSA-N 430.339 4.581 30 10 IJEE C=CCOc1ccc(C(=O)N(CC=C)Cc2cc(Br)ccc2F)cc1OC 1143300424 NZWUZPHIJIXVFV-UHFFFAOYSA-N 434.305 4.990 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1OC(F)F 1162567557 CAZBIGKHAFMRDZ-LBPRGKRZSA-N 425.259 4.916 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 1176863554 FGCLWGWNYRQYPX-UHFFFAOYSA-N 427.451 4.531 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nccc(C)c1C(=O)OCC 1189024715 FSDATJFMUBBGOF-UHFFFAOYSA-N 438.553 4.524 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@H](c3ccc(Cl)s3)C2)c1 1191231050 BJTNOJDZBURUEU-MJGOQNOKSA-N 431.989 4.727 30 10 IJEE COc1ccc(NC(=O)CN(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1OC 1191852815 DOSPFHSKPDEQFE-UHFFFAOYSA-N 433.483 4.668 30 10 IJEE CN1CCC(N(Cc2ccccc2Br)C(=O)Nc2cccc(CC#N)c2)CC1 1218102752 CZWGAYJZYYSMLS-UHFFFAOYSA-N 441.373 4.643 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccc(F)cc1 1252433146 YPRABFSUVULQQT-LJQANCHMSA-N 426.879 4.825 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 1252970832 LWCVMELZHXZOCX-OXQOHEQNSA-N 448.405 4.944 30 10 IJEE CC(C)COc1ccc(C(C)(C)NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1253866808 DLWSUNNKMBUSIG-UHFFFAOYSA-N 434.584 4.796 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 1254072463 BHTAMLDALGMDEK-CYBMUJFWSA-N 446.338 4.661 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)nnc1-c1ccco1 1277016860 KDQDFAATJAUVAW-QZTJIDSGSA-N 428.602 4.881 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCc1cccc(C)n1 1286279793 XPWZWZALYFDAMC-OALUTQOASA-N 437.975 4.866 30 10 IJEE C=C(Br)Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(OCCC(C)C)cc1 1286547256 FZNWEICPRAWWQH-UHFFFAOYSA-N 445.365 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](CCC)C1 1286551606 MPUQKXMFWPGRHG-MDKPJZGXSA-N 448.970 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1c(C)nn(C)c1C 1286566791 JFAMXRDMVVBZAG-NRFANRHFSA-N 436.604 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)c1ccc(F)cc1 1286582839 GBDACQMTLKVYPE-DNRQZRRGSA-N 444.595 4.646 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1286586039 UUIWIFMYHMINNN-DZFGPLHGSA-N 428.552 4.917 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCCC2(F)F)CC1 1286648660 GUUJVVMQQGRLJX-GOSISDBHSA-N 432.515 4.848 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1286665166 UZPHUDYUYDMSCT-RUZDIDTESA-N 435.660 4.976 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286669247 YZVVIMJQABKHJV-PZJWPPBQSA-N 439.604 4.699 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCSC(F)(F)F 1286763273 HJSRHGOZUKCYEG-UHFFFAOYSA-N 447.486 4.898 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286824093 TXPUOJJDLWSUTM-LJQANCHMSA-N 431.625 4.562 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1286827220 HLEBJKBNSGOSCG-IEBWSBKVSA-N 428.602 4.650 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCO[C@@H](C)C1 1287602962 HTFYCHSGIIYNBA-VXKWHMMOSA-N 448.615 4.862 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)c1ncc(C)s1 1292580293 FNXUZCXDOUSZDP-DLBZAZTESA-N 438.601 4.584 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCSC[C@H]3c3ccc(Cl)cc3)n[nH]2)c1C 1293282811 LNHKFXRCKLWWEH-FQEVSTJZSA-N 441.988 4.660 30 10 IJEE C#C[C@H](NC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1298925268 YJJODFISGJKVNA-SFHVURJKSA-N 443.931 4.547 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cc(C(CC)CC)no1 1300316807 DZFPEFSWYVKJRU-QGZVFWFLSA-N 430.556 4.748 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1300372262 OHXPNBRKRAJJCA-QFIPXVFZSA-N 438.616 4.819 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1csc(C(C)C)n1 1300521525 YCAZZUWAZSNCTP-UHFFFAOYSA-N 441.963 4.633 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC1(OC)CCC(C)CC1 1300548034 VPZOIAZTDAOWSZ-UHFFFAOYSA-N 436.625 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](c1cccs1)N(C)C 1300557209 QTVVUVSPRYXJIV-DHIUTWEWSA-N 445.636 4.647 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@H]1C(C)C 1300564323 CPFNIKGOQXRJLG-UTKZUKDTSA-N 445.394 4.776 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccccc1OC(F)(F)F 1300807447 KYBUQRPYNPBPPG-JOCHJYFZSA-N 432.490 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCCCC 1300816588 POONQBHAHSBATO-AREMUKBSSA-N 438.616 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC(F)(F)C1 1300816987 ZYKGZFWAHMDQJY-HRAATJIYSA-N 434.918 4.938 30 10 IJEE C=C(Br)Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnc1C(C)(C)C 1300861877 OOAVKIASBXGLFO-UHFFFAOYSA-N 436.354 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([S@@](C)=O)CC1 1300906906 UTFOHMHNDVEUOH-HHHXNRCGSA-N 427.401 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1301155800 VUQBGDIRVBMQJI-QFIPXVFZSA-N 438.616 4.755 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 1301163635 LAQMZLZBEPERTM-WWNPGLIZSA-N 437.632 4.893 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(Cl)ccc2C1 1301165003 YQSMPQLPCWYKOV-FPOVZHCZSA-N 445.007 4.821 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CC(C)(C)C1 1301170274 QOGLQBCNMFIFTP-UHFFFAOYSA-N 448.615 4.811 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1c1nncn1C 1301198561 MTQDWNNNGUFTNS-FQEVSTJZSA-N 437.617 4.705 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@](C)(C#N)C1 1301207389 VLSNGXJDOJPELH-OAQYLSRUSA-N 444.377 4.812 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(CC)C1 1301238903 HGKJUWFLGOZGLW-OAQYLSRUSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1 1301273975 ZKQZFRZUFVJNHV-AWEZNQCLSA-N 435.425 4.642 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCCN1CCCCC1)C1CC1 1301321054 TVQMDZPASHEONX-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1c(C)nn(-c2ccccc2)c1C 1301394188 KOHQUGPJSVGQPF-UHFFFAOYSA-N 444.608 4.960 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCS2)C1 1301538808 KYQFXMNHGFDIAR-HBMCJLEFSA-N 442.629 4.712 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)N2CCC(C)CC2)C1 1301543511 ZQVQSMXHIYXRFB-DENIHFKCSA-N 444.023 4.500 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2Cl)n1Cc1nccc(C(F)F)n1 1303013607 GUYNLBKPXRPKSO-UHFFFAOYSA-N 443.889 4.504 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(c2ccc(F)cc2)CCOCC1 1305438506 HUWNIPWPIYYSOH-LJQANCHMSA-N 439.579 4.809 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(F)c(Br)cc2F)cc(OC)c1OC 1310437195 BHMJSWJQLWMHOE-UHFFFAOYSA-N 441.272 4.795 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1311807809 HMLGBBRHWGGVIP-SFHVURJKSA-N 436.556 4.528 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 1357998035 XHKISDOXJTUMEG-OAQYLSRUSA-N 428.557 4.933 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1358924695 FIZWHEZRBDIOOW-QFIPXVFZSA-N 444.627 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCOC 1359065530 SUXWCWHOHCKWBD-XMMPIXPASA-N 435.597 4.796 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCOC(C)(C)C 1359096189 XWVWHTIWGSLDKB-NFBKMPQASA-N 449.599 4.726 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1359161310 YMMBHMVGKMYQMD-ZWKOTPCHSA-N 432.515 4.908 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(CCOC)CC2)CC1 1359169049 RRZZTCQTTUXAGV-UHFFFAOYSA-N 428.602 4.552 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1359180604 LITSKIJLYHAEKI-PMACEKPBSA-N 438.616 4.678 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359218458 JYLPAKAKPAESMZ-NRFANRHFSA-N 439.604 4.523 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C(C)C 1359258718 ZVDILRMISCQJGK-HXUWFJFHSA-N 425.964 4.857 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1360465887 CKXMKGCJRHEICL-FUHWJXTLSA-N 439.610 4.741 30 10 IJEE Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)o1 1360766085 GATYTSDKEBEHJM-XLIONFOSSA-N 425.916 4.610 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1OC 1434918427 FPOYMSKEULZRNR-POHAHGRESA-N 439.512 4.936 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)c1ccc(F)c(F)c1 1435951007 LIDVIISDZQTCRR-WPWBMXPQSA-N 440.490 4.747 30 10 IJEE CCOc1ccc(-c2nc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)cs2)cc1 1435959496 DGWWDRWCQSOFSX-UHFFFAOYSA-N 448.548 4.595 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)cc1OC 1452964604 YJQGUZNHKOGYPB-SXAWMYDMSA-N 436.335 4.772 30 10 IJEE C=CCn1c(SC[C@@H](COC)c2ccc(Br)cc2)nnc1-c1ccccn1 1458982632 AFOXMUYAHSHWHY-MRXNPFEDSA-N 445.386 4.811 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(C)(C)C 1460799147 BUMDCDLZJIBIMR-IBGZPJMESA-N 438.984 4.844 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N(C(C)=O)[C@@H]2C[C@@H]2C)cc1 1461528511 DFYUFWYCECKUOO-YCRPNKLZSA-N 427.342 4.835 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCN3C3CCCC3)s2)c(C(F)(F)F)c1 1464288939 BCPQVAMNXRWNLF-GOSISDBHSA-N 434.487 4.580 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C 1465626614 ASNDWDMGYOHVCH-ZACQAIPSSA-N 432.590 4.990 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@@H]1CCCO1 1465771462 JYULWRWQDWPNLJ-ICSRJNTNSA-N 429.398 4.672 30 10 IJEE CC1(C)C[C@](C)(NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C(=O)O1 1466867459 ABNPPZHYJGJRAB-NRFANRHFSA-N 429.929 4.969 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C(=O)OC 1471894582 BRDULCZMQAXBPS-HNNXBMFYSA-N 427.444 4.941 30 10 IJEE CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)no1 1473204949 AGOMWXZLFMRSFP-KRWDZBQOSA-N 427.574 4.561 30 10 IJEE Cc1ccc(COc2c(C)cc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)cc2C)cc1 1474965865 CTFNDWQDSDUZAM-UHFFFAOYSA-N 434.561 4.883 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC)Cc1ccc2c(c1)OCO2 1476728844 LZODOSXLIMFKSY-UHFFFAOYSA-N 433.302 4.797 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(C)(C)SC 1495732426 CMWYSKBUONDJBI-INIZCTEOSA-N 447.052 4.785 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](c1cccnc1)C(C)C 1498882158 CZGGKUSXZMHJHQ-XMMPIXPASA-N 426.568 4.841 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cccs1 1507672987 MJMXCNQFTOUPGR-UHFFFAOYSA-N 432.593 4.862 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(CC)CCC1CC1 1507749738 ZHEFZFLTLGRZMJ-UHFFFAOYSA-N 439.448 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)CC 1507764179 JTTNLBFKNNCZDC-DQMJNTIXSA-N 445.007 4.841 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cnc(C)s1 1507798502 VSEBRZLPJRPZLH-OXJNMPFZSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@](C)(OC)CC1 1507807486 VTIFOTIRJZGNMI-LLZJGCNPSA-N 438.616 4.554 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCC2(COC)CCC2)CC1 1507909359 BYAGMALPMBUDOH-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1 1507935068 MHPRVESVHKCDOI-MRXNPFEDSA-N 439.423 4.989 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1507948163 NXDIHXWNLWKJMA-UNMCSNQZSA-N 445.007 4.742 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1507950787 YQMAULMPRQKIOC-UHFFFAOYSA-N 446.039 4.687 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1507958938 DMVPJFVLNOTVOP-DENIHFKCSA-N 438.597 4.874 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1CCOc1ccc(Cl)cn1 1508018692 XYGZFGGCVGMGNA-UHFFFAOYSA-N 434.931 4.732 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1508047860 REAZTPUCRYBSHL-HNNXBMFYSA-N 445.386 4.958 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1508051190 SFHGLXMGPFGOIF-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1511929193 FUVQNLPTRKFFAT-QGZVFWFLSA-N 432.572 4.927 30 10 IJEE C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1515233759 BGXGFDSZPPAYBD-KRWDZBQOSA-N 440.478 4.725 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)c3ccccc3OCC#N)c2C(=O)OC(C)(C)C)[C@@H](C)O1 1517267978 AOMSXIVPYZENFR-ZIAGYGMSSA-N 442.537 4.880 30 10 IJEE COc1ccc(CCn2c(N3CCC[C@](C)(C#N)C3)nnc2C(C)(C)C)cc1OC(F)F 1518231895 DVWIYHRYHKRNPL-HSZRJFAPSA-N 447.530 4.558 30 10 IJEE C#CCSc1ccc(COC(=O)c2nc(CCC)n(-c3ccccc3Cl)n2)cc1 1522392447 IYHYLRZLSDFOBJ-UHFFFAOYSA-N 425.941 4.956 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@@H]2C)c1 1524420883 MTUUBNKVBLWADP-HKUYNNGSSA-N 447.000 4.887 30 10 IJEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CCCCC1 1526184807 VIBKZRYBYUWHPT-NJNXFGOHSA-N 431.602 4.745 30 10 IJEE C=CCN(C(=O)c1csc(N(C)c2ccccc2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1529014434 HDCVBWZVEUUXIW-QFIPXVFZSA-N 449.576 4.714 30 10 IJEE C#CC[C@@]1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CCCN1C(=O)OC(C)(C)C 1531611722 FXBSWBVMPPKEDQ-SANMLTNESA-N 435.568 4.503 30 10 IJEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CCCC1 1531944834 YILNWEGRZFEWTJ-UHFFFAOYSA-N 427.010 4.673 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@@H]1C1CCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531951996 DNCCXLCTXLYTER-MOPGFXCFSA-N 430.595 4.559 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2cccc(Cl)c2F)c(C(=O)OCC)c1C 1532544946 FNLILKJGILSBAW-UHFFFAOYSA-N 439.892 4.550 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCc2ccnc(OC3CCCC3)c2)c1 1533814760 ACGCSIUIOKYJSJ-UHFFFAOYSA-N 427.504 4.784 30 10 IJEE Cc1cccc(COc2ccc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)c1 1538464953 AKKAKKIYYRWUEO-UHFFFAOYSA-N 425.410 4.790 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCc1ccccc1 1538985141 WUXZWXCMKFTIHT-LJQANCHMSA-N 434.609 4.950 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC(C)C)CC1 1539369305 JIRBTMMFFOMGEC-UHFFFAOYSA-N 443.636 4.678 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCc1cc(C(F)(F)F)ccn1 1539385081 WKFUSNQJNDMSGI-UHFFFAOYSA-N 445.464 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCC[C@H]1CC 1539546703 JWROYMMLDQJQQB-NTKDMRAZSA-N 443.998 4.994 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@H](C)C1 1539620570 MBGXWZRRAGDRFT-YDHSSHFGSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)C(C)C 1539625121 ZGMAKRDPVSBATD-OFNKIYASSA-N 442.604 4.957 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccccn1 1539638269 YPJMSDNUYHTSDG-XXBNENTESA-N 437.975 4.535 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1539735540 PNYNOWJJEKKYKV-OAQYLSRUSA-N 433.581 4.682 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(Br)c2Cl)CCCN1C(=O)OC(C)(C)C 1539844537 MFCFMOQGOBRZKY-IBGZPJMESA-N 441.753 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539908832 BRPRYBIZJSVOEL-QGZVFWFLSA-N 447.986 4.645 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1C(C)C 1540029567 VARPKVCTKHVROJ-LJQANCHMSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CC1(SC)CCOCC1 1540133053 DPORUWHKACAGBO-UHFFFAOYSA-N 428.646 4.972 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCO[C@H]1C(=C)C 1540133903 PHYMWARKVJIYAS-QPPBQGQZSA-N 449.624 4.808 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1540134550 UNRBIDRXOCUOTF-RTBURBONSA-N 435.547 4.875 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1Cc2ccc(Br)cc2C1 1540913504 VUYVUEYGMGXNKO-UHFFFAOYSA-N 442.386 4.542 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\N=C/c2ccccc2)N1Cc1ccco1 1554646093 HDTNWDSDIPFFPN-IZXFVBNXSA-N 432.461 4.694 30 10 IJEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)ccn1 1555871382 GJWRTVRUIJOCQS-UHFFFAOYSA-N 432.578 4.680 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1n(CC)c2ccccc2n1CCC 1556197884 NUTZUZPEBFHGBQ-SFHVURJKSA-N 428.577 4.550 30 10 IJEE C#C[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CCC2 1556310440 XMNARNPHOSISQN-STZPCZCHSA-N 426.516 4.880 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 1557540624 VJRXFTWEENLJDC-GDBMZVCRSA-N 427.463 4.710 30 10 IJEE C=CC[C@H](CO)CNCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1560423013 QQZQWNUYEFBYGI-KRWDZBQOSA-N 426.358 4.576 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](c2ccccc2OC)C1 1562928972 CEYDOYJSXPAEEP-HXUWFJFHSA-N 447.329 4.628 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC)c1ccccc1 1564397088 XFYIRSAVABZVNL-FPOVZHCZSA-N 447.501 4.617 30 10 IJEE C#CCOc1ccc(CNC(=O)N(CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)cc1 1564798923 UVEKFDFKDWXNFA-QGZVFWFLSA-N 434.458 4.637 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc2Cl)C1 1583960839 KVDZCOJCNIFUNY-LSDHHAIUSA-N 447.428 4.889 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1587777733 PKXKRERRIJKDET-FYYLOGMGSA-N 439.673 4.825 30 10 IJEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CN(C)CCCC)CC1 1587835181 OIASWXGWNDJJEA-UHFFFAOYSA-N 444.627 4.855 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC(F)(F)C1 1588084703 VAZQSYZUXQXQQX-UXHICEINSA-N 426.511 4.543 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(C)cc1C 1588258601 FFNKUDUAAAQLRY-DNQXCXABSA-N 432.612 4.519 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CC)CCOCC1 1588280164 HMHUINOSPIGFAI-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1CC(OCC)C1 1588284174 NGZBSAJLYUATPN-UHFFFAOYSA-N 445.405 4.681 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1588298234 YLOFNFJOUFUSAX-UHFFFAOYSA-N 443.313 4.547 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@@H](C)C1 1588445541 OVSJZJNYRYAFJY-IAGOWNOFSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1cccc(F)c1 1589176936 CRMBCHSTLMBJKF-QMHKHESXSA-N 439.922 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CC(C)(C)c1cccs1 1589233190 FCOHKOUVBZOLMH-RUZDIDTESA-N 434.609 4.931 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC)CCC 1589496741 ZIKYWWLTMOEUQF-NZQKXSOJSA-N 434.588 4.943 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1594036422 ULFHZPIGWPEBJN-UHFFFAOYSA-N 444.023 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1594461689 VVFDRKPMXPRFKC-FQEVSTJZSA-N 431.382 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1594473502 UCQXHMYCNZYEIS-UHFFFAOYSA-N 445.615 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCC(C)CC2)CC1 1594484209 OKZWXKMEYMBQPP-UHFFFAOYSA-N 436.648 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1594491659 HLBTZPQBNNKZOO-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CCC)C1 1594569080 XZFFSYNIUDUNFE-NRFANRHFSA-N 425.577 4.509 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(F)F)C1 1594572747 JSKDCSUVSWMWPA-CYBMUJFWSA-N 428.325 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cc(C)ccc1OC 1594907389 VMWXIEJFFVGBOY-UHFFFAOYSA-N 447.402 4.951 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@]2(CCOC2)C1)C(C)C 1595166233 RMQWDYBAFUNCDT-SQHAQQRYSA-N 449.643 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1Cc1ccc2c(n1)CCCC2 1595229917 XAFFQGZZSRBJJX-UHFFFAOYSA-N 429.568 4.666 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1595243633 CTFFNZYONOSPQR-DENIHFKCSA-N 425.602 4.559 30 10 IJEE C#CC[C@]1(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CCCN1C(=O)OC(C)(C)C 1610984794 ZEUDURAQSJEFEJ-OAQYLSRUSA-N 446.960 4.590 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC(F)(F)F 1611896804 GSUSJPDMLFFIOY-ZIAGYGMSSA-N 429.874 4.989 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)C[C@H](C)O1 1614215668 ADPOEXRFVAOJIM-IEXUWNMDSA-N 444.583 4.655 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC#N)c1ccsc1 1615369733 AFASOTWWSOWOCA-WIYYLYMNSA-N 437.617 4.532 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 1616398601 CPKIZMGMMLXTCE-UHFFFAOYSA-N 445.556 4.839 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCn1c(C)cc(O)cc1=O)c1ccc(C)c(C)c1 1616627274 JTQVPKAKBZWDSA-UHFFFAOYSA-N 446.547 4.667 30 10 IJEE C=C(C)[C@@H](NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)c(F)c1 1617338886 NKNLWSOSECWSGV-LADGPHEKSA-N 447.957 4.778 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)C1 1622958029 XMWWPCRMYQOGGL-HXUWFJFHSA-N 436.987 4.539 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)cc1 1622964440 COFLFRRLYZUPOJ-QFIPXVFZSA-N 446.595 4.860 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 1624442651 PRFUQGBQSVZGDJ-DNVCBOLYSA-N 434.378 4.942 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1O 1624989344 GRGIZGOXWUCBAP-QFIPXVFZSA-N 443.503 4.599 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1 1625197733 XYOSKXYINIPZRN-ISKFKSNPSA-N 440.609 4.610 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 1627304041 BFSNIAMIGKPNQZ-KRWDZBQOSA-N 435.883 4.987 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1634040041 NXGJVCNTEDAMFF-LSDHHAIUSA-N 436.833 4.505 30 10 IJEE C#CCN(C(=O)N[C@@H](C)CCc1ccc(I)cc1)C1CCCCC1 1634919213 VIPNDKYQZZEXTN-INIZCTEOSA-N 438.353 4.590 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)C(=O)OCC 1635607104 POJUSJDQSHZRCP-LJQANCHMSA-N 443.956 4.659 30 10 IJEE C=CCC[C@@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)C(=O)OCC 1636820775 AOJMYIGBURWNOX-CJFMBICVSA-N 436.577 4.811 30 10 IJEE C=CCCN(C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)OCc1ccccc1 1642774001 KCHUBFMNJWBPSQ-QFIPXVFZSA-N 430.589 4.803 30 10 IJEE CC(C)(CCCc1ccccc1)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1644614593 ICVWQURIXVGPBM-UHFFFAOYSA-N 441.579 4.646 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C(C)C)cc1 1651602083 SNSNJXMKOKAUGJ-UHFFFAOYSA-N 433.577 4.802 30 10 IJEE Cc1ccc(C(=O)N2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1F 1652300997 BARIJYYZWIANOM-UHFFFAOYSA-N 441.550 4.792 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(N3CCCNC3=O)c2)cc1OC 1656807948 VITPGYZVSIWRJY-UHFFFAOYSA-N 446.345 4.554 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 1658385226 GQOCTSYEEVYLSF-LJQANCHMSA-N 425.523 4.863 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1659553971 CUTCHHOEEAVSDH-LJQANCHMSA-N 443.341 4.829 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1661044793 SVXKJZPMFDWPCL-HZPDHXFCSA-N 447.348 4.826 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@H](C)COC1CCCC1 1661282526 SRIJKNNQOGQSKL-OAHLLOKOSA-N 448.398 4.501 30 10 IJEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1667890639 AUPYLEXLLBNDKA-AEFFLSMTSA-N 436.512 4.720 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(Cc2csc(Br)c2)C2CC2)cc1 1668165802 DXDMMJXMTSDWLA-UHFFFAOYSA-N 426.401 4.983 30 10 IJEE C=CCC1(NC(=O)Nc2ccnc(Oc3ccccc3Br)c2)CCOCC1 1668645411 KKDRUGUBIQLAAU-UHFFFAOYSA-N 432.318 4.883 30 10 IJEE CC(C)CCOc1ccccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1672637343 GPZABSVBUWGCFF-UHFFFAOYSA-N 443.551 4.885 30 10 IJEE Cc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2sccc2C#N)c(Br)c1 1672812264 FDCSNLVKQRLUMY-MRXNPFEDSA-N 434.359 4.904 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)CCOCC1 1673365128 GCNMVLNENLLLAA-UHFFFAOYSA-N 437.418 4.798 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1c1cccc(Br)c1)C(C)C 1674145758 QOAJFFPKZGRQFW-SFTDATJTSA-N 434.422 4.994 30 10 IJEE C#CCN(CC#CC)C(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1678050523 ALTHTQDBHAIKCL-UHFFFAOYSA-N 436.380 4.944 30 10 IJEE C=CC[C@H](CC)NC(=O)N1CCC[C@]1(C)Cc1ccc(I)cc1 1680634504 HXAUQURRMMNRRE-PKOBYXMFSA-N 426.342 4.753 30 10 IJEE C=C[C@@H](COC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1681668168 XFZFVCOKGMNQCC-KRWDZBQOSA-N 437.309 4.723 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc(Br)cc1 1682150000 KXZMFSRCWZSZHM-MRXNPFEDSA-N 447.201 4.920 30 10 IJEE C=CCCCCCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1682209453 NULBGVHMKWYEFL-UHFFFAOYSA-N 428.455 4.582 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CCCC1 1682311379 DLEPVFBGMLCRPJ-GOTSBHOMSA-N 439.600 4.859 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1CN1CCC(C)CC1)c1ccc(Cl)cc1F 1682327910 NHVAYPDMRUTEKF-HSZRJFAPSA-N 427.951 4.885 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 1685817657 TWDHRSZQSHMRSH-YOEHRIQHSA-N 437.428 4.991 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1689880949 ADTFONLQYMVOFB-VQTJNVASSA-N 428.964 4.558 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC(C)C)cc1 1690039335 BOUZFIHDMVEKML-UHFFFAOYSA-N 447.970 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1690244864 ABJQOAQPLVOBTF-MJCUULBUSA-N 434.650 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)C[C@H]1CC=CCC1 1690250819 LVURXAZKFQACIO-FBLLAGFSSA-N 436.600 4.939 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1690472532 PGBHFJHIATZZOI-RBUKOAKNSA-N 428.577 4.787 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1690490014 LOPUWWIMBWUXKG-UHFFFAOYSA-N 437.632 4.616 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@](C)(O)c1ccccc1)C1CC1 1690553900 MCRPUSUMXLYNJR-DRLORSAXSA-N 438.616 4.649 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCCC1 1690605757 WEIGHWDGUDPENA-UHFFFAOYSA-N 444.583 4.521 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1693951577 HVDCXAPAJLOJEP-MRUHUIDDSA-N 436.025 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705705511 IIXWXLLBHSWSCQ-OFVILXPXSA-N 449.574 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nc(C)cs2)CC1 1705777757 NFFIQCLDHCZSMY-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(F)c1)N(C)C 1705878878 DPSUHKSHOGPASJ-QFIPXVFZSA-N 439.579 4.846 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1705888236 MFKXXMPRJWCGGI-QGZVFWFLSA-N 437.544 4.618 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCC1(F)F 1708133859 HYCJIKFDGDWXFC-AOIWGVFYSA-N 429.515 4.789 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(F)F)C1 1722310882 QORWAFNIIWNJSQ-INIZCTEOSA-N 437.332 4.993 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H]1CCCCO1 1722391063 ZQIVVWSEDBVWIW-PZJWPPBQSA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1722416777 SJDCLMILNHFMHS-IRXDYDNUSA-N 433.021 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(C)C)C1 1722496386 KWKAYBKRQJMJKB-NDXORKPFSA-N 448.970 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(C)(C)C 1722503972 MLXBIIMNRWTLHF-REWPJTCUSA-N 426.605 4.535 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722546833 BBEZTCDCKVSCJD-ZIAGYGMSSA-N 428.795 4.923 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1722577787 QNEYELVZVFGTMA-FCHUYYIVSA-N 444.023 4.878 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722615913 CUDSMUFDDISGGV-RTBURBONSA-N 433.641 4.963 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1722627883 SIQFNUMQVHNPBF-CYFREDJKSA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C1CC(C(C)(C)C)C1)C1CC1 1722645549 QPWSCZCRVQFKIB-UHFFFAOYSA-N 428.602 4.501 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1722654479 YCULNDJBQWDVLU-UHFFFAOYSA-N 441.576 4.953 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)o1 1724291871 GKLROGUJGRWFMJ-FYYLOGMGSA-N 433.556 4.806 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC(F)(F)F 1740555918 DGALTIMHCUALPJ-INIZCTEOSA-N 438.494 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)C1 1740756845 RGYHYBSXLLUPFE-GJYPPUQNSA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1740757738 XGIREHKLRXUPAV-NYDSKATKSA-N 425.964 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CC(C)(C)NC(=O)OC(C)(C)C 1740771050 QETIMEXZXKTLJA-UHFFFAOYSA-N 443.592 4.659 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC=C(Br)C1 1740808948 DDJYSNMHEXXNAD-UHFFFAOYSA-N 446.736 4.842 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)OC)CC1 1740835536 GPRASRSEYQQQER-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(COCC)cc1)C1CC1 1740913297 IZVSMXOZKMRIPB-DHIUTWEWSA-N 438.616 4.936 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)s1 1740913804 HQGKBFRDHDNSNQ-QGZVFWFLSA-N 444.988 4.746 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@H](C)C1)C1CC1 1740915497 JAOLSZZINNJYLH-MKXGPGLRSA-N 429.609 4.640 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCC[C@@H]1C 1740923376 KUWSQLPMMYYEFR-NBGIEHNGSA-N 436.625 4.983 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1)C1CCCC1 1741543875 GMZWZSCOLQPXDT-VWLOTQADSA-N 433.556 4.722 30 10 IJEE CCCC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H](C)C#N)CC1 1745315509 GZBNRXLFHXZBRF-MSOLQXFVSA-N 430.597 4.526 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cscc1C 1748917327 VCKZLRXIWVWXQC-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1749060973 HDQKRRXSDPOTEK-JDRJUVJTSA-N 449.599 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749124370 NAKJEWYGWDGLNL-QTISVLPJSA-N 438.616 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCc2nccn2C1 1749146784 NDRQASBGXLEHHS-MRXNPFEDSA-N 428.943 4.599 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C)CC1 1749213916 RUYZWTZZSJMCON-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1749511077 RUJODEZOGNZIFJ-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCCC[C@@H](SC)C2)cc1 1749683901 JTHXYCYAHSIASB-OAQYLSRUSA-N 437.613 4.619 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCC2(C)C)C1 1749695672 HAERMXCEVXPECP-UXHICEINSA-N 440.588 4.570 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](CCC)OC)C1 1749696905 YGHDTPKCVBZJKR-PMACEKPBSA-N 444.645 4.872 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCC1(F)F 1750792654 DDMVFKZTNWHUJU-IBGZPJMESA-N 430.547 4.856 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCN1CCCC1 1760105324 CSOKXVIZMJJQKL-GOSISDBHSA-N 437.588 4.757 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@@H](OC(C)C)c1ccccc1OC 1760219417 DOLONZKHGVBHGG-HSZRJFAPSA-N 436.600 4.505 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760240410 QDKAXKMTOFMTRP-NLFFAJNJSA-N 425.596 4.691 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760242073 RSJBCTRCFNIWLI-IBVKSMDESA-N 437.607 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1nc(C(F)(F)F)cs1 1760293401 VITALNJOIDPACP-LJQANCHMSA-N 435.450 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@H](C)C1 1760321009 AINIQWUJSYEROM-NWFVXXGESA-N 430.543 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1760326403 XCEUMMUXPGEOCT-HRAATJIYSA-N 444.004 4.596 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1760386668 FXMPKVWWLJZBLP-RCCFBDPRSA-N 439.412 4.695 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CCCNC(=O)OC(C)(C)C)CC1 1760400302 VXQJERYYTYMZHW-UHFFFAOYSA-N 425.577 4.571 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccon1 1760424057 UUSYFWMPLLJTDC-UHFFFAOYSA-N 446.349 4.697 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1C[C@H](F)C1 1760477956 PNRBTPFCAKTLAL-ONTIZHBOSA-N 428.552 4.859 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCC(F)(F)CC1 1760491191 WXJQLHOCJCNXRT-UHFFFAOYSA-N 432.515 4.966 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(F)cn1 1760491895 YIWKAMDFYFUHQW-UHFFFAOYSA-N 446.299 4.608 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760500107 SJJPJGHQNJZUBB-QFQXNSOFSA-N 448.615 4.679 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCOC2(CCCCC2)C1 1760567331 XCYHWEZAFJDSIR-UHFFFAOYSA-N 448.583 4.606 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1csc([C@H](C)OC)n1 1763872674 HVRCRYSIKXTDKJ-IRXDYDNUSA-N 438.601 4.901 30 10 IJEE COc1ccccc1[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C#N)CC1)OC(C)C 1770383727 HVMIUOXRGVENMH-QHCPKHFHSA-N 449.555 4.761 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccccc3)n2Cc2ccsc2Br)CC1 1771539690 HWNQTZORWBVTKT-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE Cc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(-c4ccccc4)cc3)n2)cc1C 1857806972 QUYOHACSAQIQDE-DICXZTSXSA-N 425.561 4.990 30 10 IJEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc(Nc3ccccc3)cc2)n1 1858764376 CFNMTHXFBCIBMB-UHFFFAOYSA-N 444.491 4.525 30 10 IJEE CCOc1ccc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)cc1OCC 1858865447 DSTHDCNUEJWDQY-UHFFFAOYSA-N 432.480 4.974 30 10 IJEE C=CCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1 1861422879 CSNVRGACCKIITL-QHCPKHFHSA-N 440.547 4.974 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1Cl 1862144778 LWLZPDPJAWURCX-SDNYCIMKSA-N 443.374 4.935 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1[N+](=O)[O-] 1862418811 LROAIXJWPWROLH-IBGZPJMESA-N 430.407 4.642 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862441270 DDIDTDYAPDXZSF-JOCHJYFZSA-N 447.874 4.847 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862443857 UVKHGLLZNBBMKH-QFIPXVFZSA-N 449.890 4.703 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862483275 YLVLHEMMJNECQV-HXUWFJFHSA-N 447.362 4.832 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862492165 KZMGZOUADLEZAS-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862552485 JAXZESOVQXBDHI-HXUWFJFHSA-N 441.911 4.531 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2c(F)cccc2Cl)c1 1862561826 UXMHHGKNQJBGPL-IBGZPJMESA-N 442.899 4.901 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(N(C)C)cc1 1862595702 OTTKRUXGVRNYGW-BXKMTCNYSA-N 442.515 4.798 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862628455 YYFXXILLRUSUCL-NFHUAXAMSA-N 449.503 4.581 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862687438 KUOPBKWABDVEQI-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCN(C)C)cc1 1862713469 PJMQFQNVSRMDPN-XMMPIXPASA-N 428.532 4.678 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(C)c(C)c2)C1=O 1862877475 QQDKJBCRRLWXFA-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccs3)C2=O)cc1 1863343509 BRPUWKWFRSNYRE-UHFFFAOYSA-N 443.528 4.801 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCN(Cc2ccccc2)Cc2ccccc2)nc1C 1866048742 CAOHUOLVQCPFIT-UHFFFAOYSA-N 449.576 4.825 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2ccc3ccccc3n2)c(Br)c1 1866146034 SKJVGYZNDRZLOM-UHFFFAOYSA-N 431.087 4.884 30 10 IJEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)CCCOc1ccc2ccccc2c1 1870145340 ZMYAKNJCBLDKQY-UHFFFAOYSA-N 436.475 4.571 30 10 IJEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CN1CCc2ccccc2C1 1870360221 FBIROHSJJAZFEJ-UHFFFAOYSA-N 426.601 4.528 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1CC 1871251078 MDHDWMGVFHNGLL-UHFFFAOYSA-N 445.563 4.900 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)c1 1871389303 OUOBJGFGKTWEQB-NHDPSOOVSA-N 429.428 4.541 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871430613 MKSUAUOKBWERFY-BKUYFWCQSA-N 438.480 4.547 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871441869 NKSBSPKUZGKKGR-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871776244 MNXCKCZJMLHPPB-AVRDEDQJSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1872183973 LVCLHJZNTUUYQD-XMSQKQJNSA-N 436.618 4.589 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872295547 SGYBNNVQXDZRKT-NZQKXSOJSA-N 449.661 4.504 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872441861 UKBDANHCKIZCTE-IERDGZPVSA-N 434.989 4.879 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Oc3ccc(CC)cc3)[nH]c2c1 1872816724 SILQVLZGAALZDB-UHFFFAOYSA-N 435.549 4.637 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc(OC)c1O 1874247773 VOYCVTGEKVBEHJ-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)c1 1874459357 JGXZWGHTSXOSOM-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1 1874462948 MDPSEEAIHXTLHL-NUGSKGIGSA-N 440.834 4.823 30 10 IJEE Cn1cc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)c2ccccc21 1874480811 FJQSJKHNNQVWBQ-AFUMVMLFSA-N 446.580 4.680 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OCC(=O)OCC(C)C 1874601089 SGHWAOXTKFDECC-VMPITWQZSA-N 432.900 4.831 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1OC 1874603278 RPJLGLJUHFDAHC-UKTHLTGXSA-N 442.471 4.828 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OCC(=O)OC 1874636497 DBAAEDNUDFEUDO-BQYQJAHWSA-N 432.900 4.812 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c(Br)c2)c1 1875102170 OGBSDXOEPNHAFQ-FNORWQNLSA-N 438.277 4.968 30 10 IJEE Cc1cc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)ccc1F 1875147303 VLAJSVGWZDGQDT-BJMVGYQFSA-N 432.447 4.950 30 10 IJEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 1875194849 BKMSROCAFNQFJF-FMIVXFBMSA-N 428.481 4.713 30 10 IJEE CCCCCCCCCC[S@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882591190 HINLHWLLGCTAET-WRONEBCDSA-N 425.591 4.646 30 10 IJEE C#CC1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CC1 1962741932 ZCTXCCRBOIZGDH-BCHFMIIMSA-N 444.575 4.812 30 10 IJEE CC(=NOCC=CCl)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 2053539380 LRWILQKGFFGGOI-UHFFFAOYSA-N 443.308 4.715 30 10 IJEE O=C(NC1CC1)c1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Cl 2079242857 GUOJYMXWFKPNTP-UHFFFAOYSA-N 429.723 4.654 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(C)c(Br)s1 2082346187 GWKSLEHQXUYTHL-CQSZACIVSA-N 431.396 4.637 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)ccc(Br)c1F 2089289748 TYSIATCZGFCAIA-YJBOKZPZSA-N 427.358 4.854 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(F)c1Br 2102884092 NHTPWDUSEKPLSX-PBHICJAKSA-N 431.321 4.685 30 10 IJEE CN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)c1cc(Br)cc(F)c1C#N 2174819425 LXYVUKCJJGTYRB-UHFFFAOYSA-N 435.297 4.838 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)Nc1ccc(C#N)cc1Br)C1CCC1 2181106177 SNDHKQAZCHCLEW-OAHLLOKOSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1 2181153714 GNSOYACFIYQRSK-KGLIPLIRSA-N 436.350 4.590 30 10 IJEE N#Cc1cc(Br)ccc1Oc1ccc(I)cc1[N+](=O)[O-] 2186486941 ORSDODCHKSQGCI-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE O[C@@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)o1 2220254160 CDFHLPVWBGSSQV-NSHDSACASA-N 434.909 4.652 30 10 IJEE CCCc1ccc(C#C[C@H](O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223334290 UZFSZGKKLWORDX-RPBOFIJWSA-N 437.580 4.852 30 10 IJEE N[C@@H](C#Cc1ccc(Cl)cc1)c1cc(I)ccc1Br 2230994694 ZMHDJUPQTJNETQ-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)C1(C#N)CCC(NC(=O)OCc2ccccc2)CC1 2241910762 VNDJGPAGHBUMSJ-UHFFFAOYSA-N 427.545 4.765 30 10 IJEE COc1ccc(Nc2ccc(C#N)cc2Br)cc1I 2265736131 QFFYAOCWMBETIP-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)Cc3ccco3)c2F)OC1(C)C 2266976602 GBIUXWOUFOPBBS-UHFFFAOYSA-N 435.304 4.561 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@H]3CCN(Cc4ccccc4)C4(CCC4)C3)CCC2)OC1(C)C 2267463040 YRJMUTPPHROGLM-NRFANRHFSA-N 438.421 4.706 30 10 IJEE C=CCCC1([C@@H](N)Cc2ccc(OC)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2281041061 LZIQTBKESBOGAD-SFHVURJKSA-N 439.394 4.531 30 10 IJEE C=CCCC1(C(=O)Nc2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2281047996 LRUFHXSEQHUXMS-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(OC)c1 2281477500 NAXWRZCWQUCJRQ-HKUYNNGSSA-N 439.394 4.805 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2296220745 BFFCGOJILCOIOP-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2296268387 DCACBRANXDOLKY-YZGWKJHDSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC[C@H](N)C#Cc2cccc(Br)c2)CC1 2296280238 YDPAWWLLMQQBJS-AJPWXKBRSA-N 435.406 4.992 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 2296573986 QVAWUGQAMPNHQP-HXUWFJFHSA-N 438.867 4.661 30 10 IJEE CCN1C=C(C(=O)C=Cc2ccc(Br)cc2)[C@H](c2ccc(OC)cc2)NC1=O 2296615758 UFASMALKCXKATE-NRFANRHFSA-N 441.325 4.710 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 2296935707 AYLIWWLDKCRROO-FQEVSTJZSA-N 447.362 4.757 30 10 IJEE O=C1C(=CNc2cccc(Cl)c2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 2296957061 DRAZFIURQLFMFP-UHFFFAOYSA-N 430.938 4.888 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(F)F)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2302299121 BBRNLUCVSXSRLC-OYNPSCLESA-N 436.543 4.512 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1cnnc1SCc1cccc2ccccc12 2318572051 ZBYQBZFQLDFGGT-UHFFFAOYSA-N 434.521 4.632 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC(=O)Nc1ccccc1C 2323044401 FQFSUXRWSTYLBV-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)c1OC 2323289237 QKMAINUQIVFCMC-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCC(CC)c1nnc(S)n1N=Cc1cc(Br)c(O)c(Br)c1 2323485747 DVWJQXUEHMAKFF-UHFFFAOYSA-N 448.184 4.583 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)NCCC 2323799676 HOIPOBYHPTUUKZ-UHFFFAOYSA-N 427.928 4.878 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C(C)=O)c4)ccc3C2=O)c1 2325382868 QXOHCFGQMLEZKG-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2325736375 OEURNUCPSUGOAX-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2ccccc2)c(Br)c1OC 2326211778 DINCIAQPZPQHSQ-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccco2)cc1 2331170372 DBKLVAZLMHCGOJ-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(C)cc1 2331449072 IVTPFIXBBCLYCX-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2331709314 DAGKURZYEALYQM-MRXNPFEDSA-N 441.988 4.907 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@@H](O)C#Cc1ccccc1Br 2358963837 KRBZNBSXCMVGAG-FFGOWVMKSA-N 434.374 4.730 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2365228459 PSRKGTMREKCTAV-ROUUACIJSA-N 439.394 4.723 30 10 IJEE Clc1cccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1Cl 8872282 AVYUKXLHRTUDIV-OEAKJJBVSA-N 434.375 4.605 30 10 IJEE Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)cc1 10442174 DVASQRQEIWRHGC-QGZVFWFLSA-N 440.528 4.685 30 10 IJEE Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N3)c1 20134242 NSHVIPONEOGEHQ-NRFANRHFSA-N 447.520 4.809 30 10 IJEE Cc1ccccc1CSc1nnc(N/N=C/c2cccc(Oc3ccccc3)c2)n1N 20292475 IPZUPTOEYTXMDI-MFKUBSTISA-N 430.537 4.831 30 10 IJEE C=CCNC(=O)Nc1cc(C)ccc1N1CCCN(Cc2cc(F)ccc2Cl)C1=O 34737477 AGXUXJSECMLBNW-UHFFFAOYSA-N 430.911 4.927 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)c3c(OCC)ccc4ccccc34)c2C#N)C1 38805379 VCCXJHHESURWHM-UHFFFAOYSA-N 449.532 4.939 30 10 IJEE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)cc1 40823891 GGQIMKSGHZKUGA-TURZUDJPSA-N 435.455 4.919 30 10 IJEE CC(C)c1ccccc1/N=C1/SCCCN1C(=O)c1cccc(N2C(=O)CCC2=O)c1 61704067 LSJGXTGGSQMHAK-OCOZRVBESA-N 435.549 4.730 30 10 IJEE CCc1ccc(-c2csc3nc(CCOC)n(Cc4cccc(C#N)c4)c(=O)c23)cc1 96528269 RXWPPAIMHOVKEO-UHFFFAOYSA-N 429.545 4.796 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 100315691 OHKHGVYZSQIXON-UHFFFAOYSA-N 441.597 4.864 30 10 IJEE CCCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1F 102770811 SZYOAAYHZWORAA-HDICACEKSA-N 426.598 4.583 30 10 IJEE CCOc1ccc(NC2=C/C(=N\S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 103746309 FAHXMXYJADTHIA-LYBHJNIJSA-N 438.530 4.517 30 10 IJEE Cc1cccc(N/C=C2\C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c1 105337620 DZXRWIGKHJHMBM-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE N#C[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(F)cc1F 111219396 KGWWBSRYZWEKHG-SFHVURJKSA-N 433.867 4.577 30 10 IJEE C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(F)cc3)ccc2O1 138267950 NQRSFWNHGCQANF-BJQPZEFESA-N 443.474 4.771 30 10 IJEE COc1cc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 169905215 FHFVZHVEFJZUOX-MFKUBSTISA-N 438.549 4.512 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 169962113 KCXFKWAKGYPEBP-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccncc2)cc1 170015427 RGFAIQBUQGYBER-NRFANRHFSA-N 433.895 4.584 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OC)c2)cc1 170118972 PUQFEJJLWAMPIJ-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)c1 170131920 GEAYGAMLVKGUBR-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)c1 170144349 DWNXJSGVVIDWEU-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)cc1C(C)C 170203357 MKBYROCKTSUODW-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)c(OC)c1 170223385 HXONUXWVMYETPZ-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1 170241678 NURAZFOUXPJJAK-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3cccc(O)c3)ccc2O1 170257942 WAHLWMHGRPHIIM-LFVRLGFBSA-N 445.446 4.638 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C 170275767 JMGFYHUBHLRJRG-LJQANCHMSA-N 434.319 4.917 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC)c(O)c1 170322558 FUZDRXRZIJQYLR-OAQYLSRUSA-N 427.472 4.617 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(N2CCCC2)cc1 170396428 MUQTXVQOKMMFOD-HSZRJFAPSA-N 428.488 4.971 30 10 IJEE CC(C)COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)c1 170420036 GPICWLRLPPGFIT-XMMPIXPASA-N 442.515 4.895 30 10 IJEE N#Cc1cc(Cl)nc(Nc2cc(I)ccc2Br)c1 394164295 QCVBCWSJHIQDRB-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460785999 HZFABZYWHLSHGK-VWLOTQADSA-N 436.625 4.622 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 476081573 UQUKDPFXTSAETB-UHFFFAOYSA-N 426.582 4.965 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1(CC)CCN(Cc2ccccc2)CC1 500596687 XPXQSFPETTXNCA-UHFFFAOYSA-N 439.600 4.552 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 508811838 IYJUEFOSDCTUMI-ZCYQVOJMSA-N 442.563 4.809 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 508847893 LXRWGYCPLWUKAD-DEOSSOPVSA-N 443.595 4.539 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@@]2(C1)OCc1ccccc12 508954947 COMANOBHYVJQIA-QFIPXVFZSA-N 437.341 4.529 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)c(OC)c2)cc1 526516169 NYHBAGGKGLECPN-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526605050 SRNCDXREETYNPE-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC(C)=O)cc1 526807140 JUYBMPFFMIMGEB-QRVIBDJDSA-N 428.945 4.984 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C)cc1OCC(F)(F)F 531534330 WOWLSXOANQVCBM-UHFFFAOYSA-N 437.418 4.742 30 10 IJEE C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 581956392 LSITYJQCXLXZJB-NOMHHCBYSA-N 446.595 4.761 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]1C 698488399 XYBNQWPLUYEWLJ-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(C)C(=S)N[C@@H]1c1cnc(-c2ccccn2)s1 753385379 UQFBBZRDLOGOSI-GOSISDBHSA-N 440.981 4.720 30 10 IJEE Cc1ccnc(C2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC2)n1 775518334 DSOASYGVXKXDIL-UHFFFAOYSA-N 441.535 4.842 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccsc1 790285038 MWRBHOFKPGHDNX-SFHVURJKSA-N 429.567 4.683 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 809921233 KFBJSGWNHYMETF-GOSISDBHSA-N 445.523 4.834 30 10 IJEE CCOC(=O)c1sc(N=Cc2cc(Br)c(OC)cc2OC)c(C#N)c1C 1084538847 KHFDIGIVEUOTTK-UHFFFAOYSA-N 437.315 4.635 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1124442799 QBVRAIKBABXSNP-FQEVSTJZSA-N 428.554 4.634 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccsc2C(F)(F)F)c(C(=O)OCC)c1C 1124756321 GFYJOFNLSLAEKL-UHFFFAOYSA-N 447.456 4.909 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)s1 1125210551 CZXAAKPKYRETSO-UHFFFAOYSA-N 445.997 4.687 30 10 IJEE C=CCc1cc(C(=O)NC2(Cc3ccccc3Br)CC2)cc(OC)c1OC 1129292238 HEYDUWMACIYZKQ-UHFFFAOYSA-N 430.342 4.700 30 10 IJEE CC(C)c1nc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)nn1-c1cccc(F)c1 1129842613 CONDNAQBVMRWJH-UHFFFAOYSA-N 440.482 4.643 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 1131968453 SFKKNXRYJLXIEI-UHFFFAOYSA-N 440.565 4.868 30 10 IJEE C=CCn1c(SCC(=O)N(CC)[C@H](C#N)CC)nnc1-c1ccc(Cl)cc1Cl 1134208037 BLBGWAPLRWAFEW-AWEZNQCLSA-N 438.384 4.681 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccccc1 1134654386 FCXVJZMFAQRIRS-HHHXNRCGSA-N 448.317 4.627 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 1136697508 TXIQQQLEXJONIK-ISKFKSNPSA-N 448.563 4.524 30 10 IJEE CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1137763797 GWWDRZBPNPHPPS-UHFFFAOYSA-N 427.848 4.590 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 1142075567 JCBAMEASDSVFCK-QFIPXVFZSA-N 434.561 4.713 30 10 IJEE C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 1160625050 NUFJGDGYPDWGFX-UHFFFAOYSA-N 442.924 4.958 30 10 IJEE C=CCn1c(S[C@H]2CCN(C(C)C)C2=O)nc2scc(-c3ccc(C)cc3)c2c1=O 1187948153 MPLYOVXXLCIZSY-SFHVURJKSA-N 439.606 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1nc(Cc2ccccc2Br)cs1 1216109963 DTDZYFDCNKVBLC-PBHICJAKSA-N 436.375 4.599 30 10 IJEE C#CC1(O)CCN(C(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]32)CC1 1221833183 ONJPOYCUHLMMIF-FXVJXKIMSA-N 436.640 4.990 30 10 IJEE CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[C@H](CC)CN1C(C)=O 1233981446 GOEMEAOJAGUZMZ-PISWEHOVSA-N 432.568 4.717 30 10 IJEE C=CCOc1ccc(OC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 1265465352 ZSZUMWVJBLUZKC-HRAFRWSSSA-N 425.912 4.905 30 10 IJEE C=C(CNC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)c1ccccc1 1274941060 AOQYJJFGKTWDSG-UHFFFAOYSA-N 444.535 4.995 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1 1278998680 NPHFPRMRSOLDDH-WIYYLYMNSA-N 443.565 4.718 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCc1nc2c(s1)CCCC2 1286367417 JJODGTCONFXTGL-UHFFFAOYSA-N 443.979 4.775 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C(F)(F)C12CCC2 1286454462 XXCIDBVJQFZDLK-FXAWDEMLSA-N 444.526 4.712 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCOC1CCCC1 1286528081 WRVVAARJCKZVKE-AREMUKBSSA-N 436.600 4.815 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCC1 1286532068 VOZJGGZCIONOMS-UHFFFAOYSA-N 426.362 4.861 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)C)C1 1286558749 QQLLWOPXBJCPGI-QTEQDKRBSA-N 429.008 4.986 30 10 IJEE C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1286585075 VAUFMEYCIQXNNJ-IRXDYDNUSA-N 441.567 4.839 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286685539 WDKAINQLLDJNHS-LJQANCHMSA-N 441.595 4.819 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1286703718 QXQAWBXFWFSKOC-ILBGXUMGSA-N 448.615 4.710 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1cnn(CC(C)C)c1C 1286741996 GFUQTQBFRFJTOK-UHFFFAOYSA-N 445.615 4.849 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1CCCCO1 1286742627 RDXQSZMYOSHNOK-ZEQRLZLVSA-N 449.599 4.933 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1286771114 XSIPGNAIRTXWJY-SFTDATJTSA-N 441.595 4.836 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[C@H]1C 1291083419 BHFWUOQCXSDNJE-WSTZPKSXSA-N 444.624 4.567 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 1293449455 PLZNYOMYWWZGFS-OAQYLSRUSA-N 432.973 4.562 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(OC)CCC(C)CC1 1300325053 RQMWKBMLZLMYDY-ITGJCUMNSA-N 426.630 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Cn2cncn2)CC1 1301143747 QALIYSWNAKJMHP-UHFFFAOYSA-N 439.995 4.709 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCO[C@@H](C)C1 1301177358 YPKXPIRJVZQXOS-KRWDZBQOSA-N 433.394 4.988 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCO[C@H](C)C1 1301177359 YPKXPIRJVZQXOS-QGZVFWFLSA-N 433.394 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccc(F)cc1 1301359503 LBNZIDXDNLXFJP-XMMPIXPASA-N 449.555 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C(C)(C)C)no1 1301397395 ULGAWGKDJZYAFN-UHFFFAOYSA-N 435.572 4.986 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1301615588 PYEVUCHUERGONM-INIZCTEOSA-N 429.540 4.659 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1301620284 DQEZJNXOIIUUBM-KNQAVFIVSA-N 442.629 4.944 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(C)CCCO1 1304134925 BIFUYNQYFSITAL-IXFSTUDKSA-N 445.995 4.996 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCOCC3)cc2)cc1OCC 1308211912 OFXSSCKGPGNVHA-UHFFFAOYSA-N 447.373 4.861 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1319168701 BSSGMLDZOBESEV-RTWAWAEBSA-N 441.572 4.523 30 10 IJEE C#CCN(C(=O)c1cc(Cl)nc(C2CC2)c1)[C@H]1CCOc2ccc(Br)cc21 1353634930 OQUHQUVNQAQPQU-SFHVURJKSA-N 445.744 4.974 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1358934923 QRQHJDRCNDMLGP-UYAOXDASSA-N 449.382 4.725 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCCC1 1359019170 MGYSIVKTYDGUHJ-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccc(OC(F)F)c(OCC)c1 1359071207 IBDGXKJARXNRHH-HSZRJFAPSA-N 432.515 4.517 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C)C1 1359128676 BOQOELSWFSLDNE-MRXNPFEDSA-N 433.394 4.845 30 10 IJEE C=C(C)COCCn1c(N2CCS[C@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1359137601 UNYLCBQQIQLTAN-OAQYLSRUSA-N 426.630 4.673 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(C)C)C1)c1ccccc1 1359139809 FCJMKJYZPMRBNR-OAQYLSRUSA-N 449.624 4.855 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1359182476 HUPQZBAPCNOBQZ-WTGUMLROSA-N 447.599 4.589 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C1CCC(C)CC1 1359209579 RMVDJKXLWKDYLN-UHFFFAOYSA-N 444.649 4.528 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1359212698 UUWVCRSCZWSBOO-UHFFFAOYSA-N 439.579 4.525 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1359222548 LEJMOJFAULDCFR-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1C1CCCCC1 1359268818 DNONWKVAWZLETA-HSZRJFAPSA-N 435.616 4.929 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C#N)CC2)cc1 1359309178 KNWGTKVTGKQFGD-DHIUTWEWSA-N 449.599 4.550 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)c1nccs1 1359339176 VPLZZZVERCQPNU-CQSZACIVSA-N 435.022 4.609 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(c3c(Br)cccc3C#N)C2)C1 1458385251 HWWKLOROFWVNQS-IRXDYDNUSA-N 434.378 4.794 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1ccc(F)cc1 1458824247 MXZCMZVQPMWRPT-LJQANCHMSA-N 426.492 4.697 30 10 IJEE CC(=O)[C@@](C#N)(CCSc1n[nH]c(-c2ccccc2Br)n1)c1ccccc1 1458849203 DLPVSPYCLYGZRS-FQEVSTJZSA-N 441.354 4.767 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)c1 1460092794 HPKMFYUSUMQVGI-JOCHJYFZSA-N 426.545 4.948 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 1460387331 FYANTFUXGOZEOJ-UHFFFAOYSA-N 425.536 4.874 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(Br)cc1 1465421851 CSTIQFPQLGJZDS-QYWGDWMGSA-N 442.357 4.559 30 10 IJEE COCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(OC)c(OC)c1 1465609834 HVIOPXIBGVJCEU-INIZCTEOSA-N 429.542 4.640 30 10 IJEE C#CCOc1ccccc1NC(=O)N(C[C@@H](O)COc1cccc2ccccc12)C(C)C 1466207620 SQJWMZBSQYCHNN-OAQYLSRUSA-N 432.520 4.534 30 10 IJEE COc1ccc(NC(=O)N2CCCC[C@H]2Cc2ccccc2Br)cc1C#N 1467164238 CYFKNSXTKORXAP-SFHVURJKSA-N 428.330 4.958 30 10 IJEE C=CC[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1)c1ccccc1 1469846178 SPUFFSNCJQZWFY-GSPCLOLRSA-N 442.600 4.657 30 10 IJEE C=C(C)[C@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(F)c(F)c1 1469855015 BQMSEQBIMLASMC-MOPGFXCFSA-N 425.520 4.821 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)C1 1469921584 WNIXFLKHDUECBM-QGZVFWFLSA-N 432.973 4.593 30 10 IJEE CCC(CC)CN(CCC#N)C(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 1472522806 CLPZWRMCFFJYPZ-UHFFFAOYSA-N 430.552 4.814 30 10 IJEE Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 1472634956 COHAGTSWPLQFBL-UHFFFAOYSA-N 439.262 4.866 30 10 IJEE C[C@@H](CN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCCC1 1473705684 DZRYLKMZVPHROZ-FPOVZHCZSA-N 440.632 4.504 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(Br)ccc2C)cc1 1476042084 ZHQMGAUWBPFAHL-UHFFFAOYSA-N 442.357 4.893 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(Cl)s1 1507522154 BDMZZXANHODYAG-HNNXBMFYSA-N 444.988 4.962 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1COCCC 1507548920 XIKYYPRMNYOPHK-UEVCKROQSA-N 438.616 4.630 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(CC)C[C@H]1CCCO1 1507557732 AXJKPVDGWSGLML-QGZVFWFLSA-N 431.378 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30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1673915457 GLFIGJQCEHWVHI-DZWOVHDNSA-N 434.540 4.929 30 10 IJEE C#CCN(C(=O)NCCCNc1ccc(C(F)(F)F)cn1)[C@H]1CCCc2ccccc21 1674145791 QXYJHABGKPPJQN-FQEVSTJZSA-N 430.474 4.625 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1 1674326821 OPAJCXZARGWQMC-GOSISDBHSA-N 429.495 4.549 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1677251017 ULXKLSRXOLNJIB-OAQYLSRUSA-N 445.991 4.835 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1ccc(Br)cc1Cl 1682948013 OLPJRFSVRHAJME-UHFFFAOYSA-N 432.749 4.914 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1684462044 PMSAZXANHQVFDX-FQEVSTJZSA-N 435.515 4.561 30 10 IJEE C=CCC1(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CCCC1 1686451422 GVOBIKZVTDDDRB-INIZCTEOSA-N 449.311 4.937 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)[C@@H]1CCCc2ccccc21 1686588660 USBLJWBSIYWGNT-QTLGCAHFSA-N 447.554 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)C(C)C 1689837190 ANDFLHYCKUPQFP-MWTRTKDXSA-N 426.561 4.678 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(C(C)C)CC1 1690003723 VRWALLAOEYYFGT-UHFFFAOYSA-N 425.580 4.862 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690008310 DGEFUUUYOLDHGY-BJWYYQGGSA-N 431.367 4.528 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1690059896 ZPMHYBNRTADENE-HXUWFJFHSA-N 439.604 4.583 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](CCC)OC 1690192550 BEYSTNWIBAKNPG-XTQVGHSUSA-N 430.980 4.879 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 1690344737 YOULEUZOJVXGDX-ZWKOTPCHSA-N 438.016 4.627 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690419763 AVHAXSHXSYXDRG-IRFCIJBXSA-N 441.595 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1CC(F)(F)C1 1690424478 PULPLMWEUWKWRY-UHFFFAOYSA-N 432.515 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](COC)C1 1690437987 VZABHPZBLMRKNK-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OCC(C)C)C1 1690496200 LVPVRZKFUKZCIM-PMACEKPBSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1690533711 SSJQZOZUTMUUCG-WIYYLYMNSA-N 442.604 4.718 30 10 IJEE C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(SC)CCN(C)CC1)C1CC1 1690537374 NUMPQABKHYGUCT-QFIPXVFZSA-N 439.673 4.802 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)C(C)C 1690581618 VNPZYWDFJGTAQW-NHCUHLMSSA-N 447.693 4.550 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCO[C@@H](C)C1 1690605658 SNQCYDBJIZNAMZ-PMACEKPBSA-N 436.556 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=C)Br)C1 1690689403 CVARTJNEBUYGQF-LJQANCHMSA-N 445.405 4.933 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1690740190 MEPUHNIMZFZPNF-LJQANCHMSA-N 436.629 4.922 30 10 IJEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)C)N(C)C(=O)OC(C)(C)C 1692696485 GCEWSZRCGVFOTQ-QGZVFWFLSA-N 440.592 4.554 30 10 IJEE CCc1cnc(CCn2c([C@@H](CC)c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)s1 1694551592 CPQNDKVVTKNWJD-WMZHIEFXSA-N 438.576 4.524 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705533455 NAUGKLAHQHUWNB-JOCHJYFZSA-N 440.563 4.623 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1705593674 HEADDBZZMJSZGF-QNWVGRARSA-N 446.595 4.642 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCS1 1705619979 IDSVLYMSQNOTFW-LEWJYISDSA-N 428.577 4.584 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCNc1ccccn1 1705620568 XRCLJYKSZLVJLL-UHFFFAOYSA-N 434.563 4.543 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1 1705697687 WRXJPWNJTBKKGW-WIYYLYMNSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Cl)s1 1705701304 AIONUNZQPGNHMJ-HNAYVOBHSA-N 431.993 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCc1ccncc1 1705712247 NCYWUFGOAWUMKI-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705766648 IPYFCXXXKRMDBT-LJQANCHMSA-N 440.592 4.609 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1705820363 JXFULXXQNJTRRC-UHFFFAOYSA-N 430.666 4.519 30 10 IJEE C=CCCOCCn1c(CC)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 1705830852 CIWIPYRDSVMRLK-UHFFFAOYSA-N 429.952 4.612 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CCC1(O)CCC1 1705868474 PCYLSBBSKZOASC-UHFFFAOYSA-N 444.551 4.706 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCSC2(CCOCC2)C1 1705912548 NECVILVGYHESPL-IBGZPJMESA-N 442.629 4.507 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1705942037 GESPCXFOWPQLBB-FXAWDEMLSA-N 448.423 4.756 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCCCC1 1706070153 IAVKACYDUVIHJM-INIZCTEOSA-N 432.975 4.598 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722310768 OOYVGQPGLUNCFE-NLWGTHIKSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1 1722322678 MJEBYCGKBYKQSN-FGZHOGPDSA-N 442.579 4.655 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722338803 SRSGWGFGXSXRNN-RDPSFJRHSA-N 436.600 4.706 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C(C)C 1722402332 LJHIAZWSGASGFM-UYAOXDASSA-N 432.996 4.819 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](CC)C1 1722464059 UDTXBKYFGKFQBS-GOSISDBHSA-N 432.684 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCn2cc(C)nc21 1722514941 HYMKGBXGHYQODU-JOCHJYFZSA-N 448.615 4.959 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC(C)C 1722530056 LFXXTSHLWJZRFY-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2cnn(C)c2)CC1 1722559809 JENMNHYFHHYLQZ-SFHVURJKSA-N 440.979 4.627 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1722584856 YRCDKFNEOFRFQA-LJQANCHMSA-N 444.668 4.995 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1722603375 UXDLILWMVBGKAE-UHFFFAOYSA-N 440.592 4.580 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(CC)CCCC1 1722638565 GDQSAWFBRNPVBI-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1722652564 IPAIFBKRZCCLIJ-BKMJKUGQSA-N 449.599 4.833 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1Cc1ccc(N2CCCCCC2)nc1 1722672866 AZOTZEOQMRCXFT-UHFFFAOYSA-N 430.600 4.645 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722683799 VUGHMZGYJCXGHW-JSGCOSHPSA-N 425.758 4.551 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCCC1(C)C 1722863133 HYJIOECAGAXTCJ-DGGJZMOXSA-N 445.995 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740560249 FMFFPLYJOJKINK-OALUTQOASA-N 433.625 4.541 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1740591811 WUOTWTKRAMXWEK-VQTJNVASSA-N 449.382 4.818 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1740780936 VMWJBRZGDAILNH-KGLIPLIRSA-N 437.407 4.623 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2(SC)CC2)CC1 1740820778 QTVHFCSQMXCRTD-UHFFFAOYSA-N 449.418 4.768 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1740834406 VKOSDOSLSPKRMJ-VGSWGCGISA-N 439.604 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)c2ccccc2)CC1 1740849552 NARWYJAYQMIKNR-UHFFFAOYSA-N 444.627 4.971 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740860481 GGUGDMHPFNBBOS-LJQANCHMSA-N 429.012 4.662 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC(C)(C)c1cccs1 1740937697 MMJZFBNBWSHADK-UHFFFAOYSA-N 434.569 4.603 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@@H]1CCCC[C@H]1C 1748649209 LGCDAOPPDNYGQG-FUHIMQAGSA-N 432.515 4.600 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1748738404 BGRCIMGXYJQSHI-QFBILLFUSA-N 443.389 4.899 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C(CC)CC)N(C)C 1748834455 ONTOPEZALFAMMR-NRFANRHFSA-N 446.426 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1749071316 BSYWDZSZUJBOCU-RXFWQSSRSA-N 437.607 4.511 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(=C)CC1 1749092404 VEVSSFMIQCBZSN-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1ccc(Cl)cc1 1749132033 XJYBFEMOTGBGEB-BVSLBCMMSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nnc(C)s1 1749143342 GQFIZQAORGNLCT-CQSZACIVSA-N 432.981 4.682 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1749404342 WRLLKYGGNFIBHO-QFIPXVFZSA-N 447.558 4.859 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2CCCC[C@H]2C1)C(C)C 1749557047 FUFOZDCLZIHCST-WPFOTENUSA-N 436.648 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(SCC)c2)C1 1749706305 OIPFQUVMKYJFOC-FQEVSTJZSA-N 435.597 4.590 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1760130203 FKQDGDMDENIYQP-ZCNNSNEGSA-N 442.629 4.951 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CC1(C)C 1760242844 QAIVRRASNSMVHK-RBUKOAKNSA-N 445.007 4.820 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCC[C@@H]2C)CC1 1760398996 VJNPASOSGGUQEC-IBGZPJMESA-N 438.576 4.520 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1760401762 BRVAWVDWIDYJOE-IEBWSBKVSA-N 430.543 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CCOC2)C1 1760407043 SKYGUXVBKZGOHI-QFIPXVFZSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1760414813 DGICWCNOAMRTCL-HSZRJFAPSA-N 449.599 4.726 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1760429169 UKCRPBLZLJCJNO-QFIPXVFZSA-N 435.616 4.856 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CC)CC1 1760440777 PYZKUBDPIPQUQC-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCc1ccccc1 1760464510 IUMYHQZXJGTXNB-UHFFFAOYSA-N 439.604 4.648 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@H]1CCCn2cc(C)nc21 1760477830 MDRVUGNSWURZES-OAQYLSRUSA-N 434.588 4.685 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1Cc1ccc(OC(C)C)nc1 1760480843 GXQYLCRBGNPAKL-UHFFFAOYSA-N 440.551 4.763 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C 1760488266 PYKHQIDTRXZSBS-VJTSUQJLSA-N 444.627 4.894 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)CC1CC(F)(F)C1 1760567577 GKNBKLRSEVSHOY-UHFFFAOYSA-N 431.556 4.682 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cscn2)on1 1764071102 GWWSLWGFLPALQF-UHFFFAOYSA-N 447.568 4.850 30 10 IJEE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(N)=S)CC(C)(C)C3)c1 1772729605 XFPQCBGYEHSNAT-UHFFFAOYSA-N 427.570 4.749 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nccs1 1772738577 VBNXLTAUWAYOKS-CLEIAUBXSA-N 426.479 4.935 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1 1861138018 UMQQYMAEWDXSFG-VWLOTQADSA-N 438.612 4.919 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2Cl)cc1 1862391896 KTZMFMQYKDUNOK-NRFANRHFSA-N 427.928 4.907 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2C)cc1 1862475758 UGPIYPOWZCAKRM-DEOSSOPVSA-N 427.500 4.961 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)ccc1O 1862481103 WXRMFRQGBZVBNA-XMMPIXPASA-N 443.499 4.796 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862554746 JVPGNMBQSBUPAF-HSZRJFAPSA-N 430.479 4.537 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCCN(CC)CC)cc1 1862555435 DVUZTFYGYHAYRQ-DEOSSOPVSA-N 449.595 4.532 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2Cl)cc1 1862595699 OQSXGKRNBJCRHA-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1c(Cl)cccc1Cl 1862646145 YOYWDROFQUGMTB-SFHVURJKSA-N 436.266 4.905 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Br)cc2)cc1F 1862646225 AJAYKBANHXILCD-SFHVURJKSA-N 448.288 4.584 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(F)cc2)c1 1862702328 BGPIGULKZLKMBI-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)cc1 1863321727 YNRMKHZMJKUWQX-UHFFFAOYSA-N 443.453 4.580 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1sccc1C 1865337977 YASJEVXLCNBMMY-LJQANCHMSA-N 440.613 4.511 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCc3cc4cc(C)ccc4nc32)n1 1868262548 YKEZJCJMRWYAPH-UHFFFAOYSA-N 436.519 4.832 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868266946 FBIISRFBEBEUMH-UHFFFAOYSA-N 448.596 4.738 30 10 IJEE N#Cc1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1NC(=O)c1ccc(F)cc1 1870137340 IMTVIDZTPNTWQK-UHFFFAOYSA-N 443.282 4.568 30 10 IJEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2Cl)cc1 1870144756 KXMFPUOICDSPDP-UHFFFAOYSA-N 437.931 4.888 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 1870162417 STJSSMZNCYIFGK-RTBURBONSA-N 435.915 4.713 30 10 IJEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CNc1ccc(C)c(C)c1 1870832327 DZKRSNLDGOPSTN-OAQYLSRUSA-N 445.563 4.519 30 10 IJEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870833586 OQINYRQALZZFNU-NRFANRHFSA-N 442.556 4.717 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccccc1CC 1870872506 IZTVNHZFAJRXSR-UHFFFAOYSA-N 428.573 4.935 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)cc1OC 1871429564 SEJFUQYJTPGKCY-UCQKPKSFSA-N 440.492 4.678 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871861052 XLJDQHJOPSINFW-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)CC 1872203165 JVVKKKYZSZJLKE-QHCPKHFHSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1872250671 UUVBCCXFBSTMRA-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872402223 DRIUTRRRWPXPKZ-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1 1872769691 XVEMILPHVCREJG-CTNGQTDRSA-N 429.545 4.652 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c2c1 1872816460 KTZLZGCITZWVNO-UHFFFAOYSA-N 440.956 4.761 30 10 IJEE N#Cc1cccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3ccco3)C2=O)c1 1873335753 NDDSPMGKSMVHKK-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)cc1 1874236080 OAVPZWGSMVPNHK-PCLIKHOPSA-N 447.564 4.769 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)OC)cc1 1874283705 VLLCCPNFCNNOEI-BUVRLJJBSA-N 440.956 4.664 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)c1 1874310332 QAEDLDADUFQKTQ-YZSQISJMSA-N 444.560 4.952 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(OC)cc1OC 1874324801 OBFFJVDKWXVBRO-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCCCO)nnc2-c2ccccc2Cl)c1 1874367879 IWONGTBUFFRXOT-HZHRSRAPSA-N 430.961 4.744 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874469241 USKHREUGVXVUHL-OEAKJJBVSA-N 426.542 4.763 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874504428 RAGAJXCLLOTBHN-ZMOGYAJESA-N 444.532 4.570 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1c(F)cccc1Cl 1874515186 QKKPBJGBHIUDMD-FSJBWODESA-N 439.988 4.817 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCc2nc(O)c3ccccc3n2)c1 1874572374 KBGDXDHZUFHCES-BUHFOSPRSA-N 442.471 4.828 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)cc1 1874574931 MHXFKOYMEDGJEG-UXBLZVDNSA-N 433.298 4.686 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)NC1CCCCC1 1874602221 ZZHIQPZRWUTECL-PKNBQFBNSA-N 442.899 4.972 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])o1 1874625130 NNMUZVANWFSNHB-XCVCLJGOSA-N 439.395 4.979 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706276 YJZXMQYDTLXSJL-PKNBQFBNSA-N 446.455 4.590 30 10 IJEE Cc1c(Br)cccc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891026663 PSJRSEGGDHPJCE-UHFFFAOYSA-N 426.232 4.589 30 10 IJEE CC1(C)OB(c2cc(Cl)ccc2NC(=O)CCCOCc2ccccc2)OC1(C)C 1997695879 FVJLLVMOARYUDW-UHFFFAOYSA-N 429.753 4.575 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2023408645 RGVHJYPEYYQPBJ-GAJHUEQPSA-N 437.581 4.521 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=CC(=O)c1cccc(N2CCOC2=O)c1 2042453062 FXUNABIAHLITNQ-UHFFFAOYSA-N 425.847 4.826 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c1 2057574332 WBRLRDUCQUSZJY-JXQFQVJHSA-N 443.544 4.728 30 10 IJEE CCOc1ccc([C@H](CC)n2nc(C(F)F)c(C=NO)c2I)cc1 2080117622 HYQWRDBUTPKWGO-ZDUSSCGKSA-N 449.239 4.632 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(F)c1Br 2102880292 NHTPWDUSEKPLSX-WMLDXEAASA-N 431.321 4.685 30 10 IJEE CC[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2174813934 BLUFOVHRQLYJNW-UKRRQHHQSA-N 440.357 4.980 30 10 IJEE CC(C)N(C[C@H]1CCCN(c2ncc(Br)cc2C#N)C1)C(=O)OC(C)(C)C 2174814747 LBJALTKNWLQHEP-HNNXBMFYSA-N 437.382 4.578 30 10 IJEE Cc1c(Nc2ccc(Br)cc2I)ccc(N)c1C#N 2231444946 ZWTOGAMIMPIIAS-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2243384538 RMUNKIJVGBZSTE-UHFFFAOYSA-N 433.810 4.999 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)C2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2258046329 CWKWDBHTTVRDMV-HFEAXUOCSA-N 448.568 4.900 30 10 IJEE C=CCCC1(C(=O)N[C@@H](C)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2266314103 ANMHWAWWLKYHOT-ZDUSSCGKSA-N 443.407 4.891 30 10 IJEE C=CC[C@]1(COc2ncnc(C)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2272229630 PVYUKBNYZQVPQD-IBGZPJMESA-N 426.355 4.520 30 10 IJEE CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)C#Cc1ccc(Br)cc1 2278804305 VRDAZFAAKUXSCV-UHFFFAOYSA-N 434.252 4.559 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@@H](O)C#Cc1ccc(Br)cc1)C2 2296276962 NHHPVMFGLAOYPN-IBGZPJMESA-N 434.374 4.589 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296288914 LWDUCPMJTHIKNT-UEUGHCDMSA-N 435.406 4.849 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296289298 QDGNCXAFLXDGLT-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2296295458 DDGQVTCPKFKNON-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Br)cc2)C1=C(O)c1ccccc1 2296924051 OQMQIDVQZUMSDY-IBGZPJMESA-N 438.277 4.664 30 10 IJEE C[C@H](Oc1ccccc1C=C1SC(=Nc2ccc(Cl)cc2Cl)NC1=O)C(=O)O 2314932942 QJJGPGRCLQWFNP-JTQLQIEISA-N 437.304 4.737 30 10 IJEE CC(C)(C)OC(=O)Nc1ncccc1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317256752 PXHOLKNRZMXRAO-UHFFFAOYSA-N 446.744 4.520 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc5c(c4)OCO5)c3C)C2=O)c1 2322774925 IPIIXZQGNINUBR-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE C#CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2323173555 FAXRWGNJUJHKBB-AREMUKBSSA-N 440.584 4.679 30 10 IJEE CCc1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 2323379817 RXPXVOSLRHNVQY-UHFFFAOYSA-N 429.428 4.922 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1 2323628234 IGDSGYVJKDNUFP-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCC(=O)NC1CCCCC1 2323647324 BMBVAHGRCBCZOV-UHFFFAOYSA-N 437.536 4.818 30 10 IJEE Cc1ccc(C=C2Oc3c(CN4CCN(c5ccccc5)CC4)c(O)cc(C)c3C2=O)o1 2324169576 HXFZQBNXXHCKHY-UHFFFAOYSA-N 430.504 4.540 30 10 IJEE CCCCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC 2325785034 FYOWCZDMSUWELX-UHFFFAOYSA-N 428.481 4.713 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(C(F)(F)F)cc1 2328471433 WJAMCKXDFFCIOL-UHFFFAOYSA-N 435.431 4.790 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2ccc(C(F)(F)F)cc2)cc1C 2329446474 QENOZWDDZNAYJT-UHFFFAOYSA-N 448.514 4.861 30 10 IJEE COc1ccccc1C=Nn1c(CC2CCCCC2)nnc1SCC(=O)OCC(C)C 2330288143 LMUGEFRGPXMHBT-UHFFFAOYSA-N 444.601 4.583 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 2330784235 VVSLGLMYWADVIA-UHFFFAOYSA-N 449.967 4.895 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)c1 2330786147 UWXJGAPIDRXMRG-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)c1 2331396545 LZRZJHVXMRQXNT-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE CC(C)(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccc1F 2331403759 DPDMECNCBUSZRH-UHFFFAOYSA-N 436.516 4.538 30 10 IJEE CC(C)Cc1nnc(SCCO)n1N=Cc1ccccc1OCc1ccccc1Cl 2331473870 KXJHKHNLNXSFQR-UHFFFAOYSA-N 444.988 4.676 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1c[nH]c2ccccc12)Nc1ccccc1F 2331485552 FXZYTENSNJTQIX-UHFFFAOYSA-N 448.527 4.779 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2F)cc1 2331502848 AFXFJFFSCPELBS-UHFFFAOYSA-N 441.507 4.745 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3c(Cl)cccc3Br)C2)OC1(C)C 2342481585 ITDNYCDKAUEGHP-GOSISDBHSA-N 428.563 4.801 30 10 IJEE C=CCCC1(C(=O)NCc2csc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2343700706 UOTOIWHAZSRUNQ-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2344002703 KFERYNLPDKAVSH-JKSUJKDBSA-N 429.399 4.629 30 10 IJEE Cc1cc(CN[C@H]2CCN(Cc3ccccc3)C3(CC3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369618955 PLBLWXVCEAOHAX-DEOSSOPVSA-N 446.444 4.581 30 10 IJEE CCCCCCCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F 3020921 SZELNIZFFBCYTB-UHFFFAOYSA-N 432.561 4.667 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(Nc3cccc(F)c3)s2)CC1 26526012 HBRZCPLKTNOZJN-DMAKZNTKSA-N 433.578 4.832 30 10 IJEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 64656741 QJIXBPZKALDSNO-IBGZPJMESA-N 439.558 4.928 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 102696098 KFBDUFQJFUDAOZ-AGGMBTAESA-N 436.439 4.537 30 10 IJEE CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1 169904160 FLKURNGACRDQCU-BUVRLJJBSA-N 444.940 4.630 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169926053 VFPCKOBYMQICGH-XMMPIXPASA-N 438.483 4.912 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccc(C)c1 169970642 KZWGAMMSWGOVJI-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCOC(C)C)cc1 170027589 RACUTKYTMQQNHH-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)cc1C 170063678 IEMXCOMFJUDJAD-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccco2)cc1 170097155 UNBDRNKNZHVXPF-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)cc1 170113253 WVLNJYOQKZVYHE-XMMPIXPASA-N 445.515 4.852 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143465 SFNAWOJEEJPJDA-GMAHTHKFSA-N 435.520 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1C 170203849 MVCZHFXDOJGQER-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214812 VWVRNVGORNFUMG-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 170229280 MMUJRNZBNAZUSH-QFIPXVFZSA-N 433.410 4.683 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)c1 170249610 IRSWFQCHRPCUJH-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(C)o2)cc1 170300842 RQYKYJVPKYMOQP-QHCPKHFHSA-N 429.472 4.868 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1ccc(C)o1 170304205 VWPQVVFRLVOQMW-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Br)c3)[C@@H]2c2cccnc2)cc1 170355907 ANRSSOXAMQGOOW-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C\c2ccc(N(C)C)cc2)C1=O 206888202 LOORAOMZQOZYDN-HKWRFOASSA-N 438.549 4.695 30 10 IJEE N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)NC(c3ccccc3)c3ccccc3)CC2)nc1 238820734 COXJFNGLEOXNFC-YHBQERECSA-N 426.520 4.732 30 10 IJEE Cc1ccccc1-c1nc2cc(N=Cc3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3O)ccc2o1 252593094 BJJLELZFYNMMBV-UHFFFAOYSA-N 434.364 4.781 30 10 IJEE Cc1cccc(CN2C(=O)C(=NNC(=S)Nc3c(C)cccc3C)c3ccccc32)c1 254624023 XEDXMMSPLNNKLC-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE COc1cc(C=NNC(=S)Nc2ccc(F)cc2)ccc1OC(=O)/C=C\c1ccccc1 254905797 ORUIQUCSBHZSCH-KUUXEYHESA-N 449.507 4.774 30 10 IJEE C=CCCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 410347981 FSIKIYOHNBEPEW-UHFFFAOYSA-N 448.588 4.998 30 10 IJEE Cc1ccccc1CN(CC(=O)N(CCC#N)c1ccccc1)c1ccc2nc(O)[nH]c2c1 440729065 UMHXSCNMFKJCQB-UHFFFAOYSA-N 439.519 4.530 30 10 IJEE C=CCn1c(SC[C@@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1cccs1 443411379 DVEGGPLSJUIGGU-AWEZNQCLSA-N 425.501 4.907 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N(C)C1CCN(c2cnccn2)CC1 460791311 NYPXYNJSHOSYSW-UHFFFAOYSA-N 439.567 4.570 30 10 IJEE C=CCC[C@@H](NC(=O)NC(C)(C)c1cc(C(=O)OC)on1)c1ccc(C(F)(F)F)cc1 460943442 LKUKROPIEDANNC-OAHLLOKOSA-N 439.434 4.722 30 10 IJEE Cc1nc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1C#N 469757255 LGEDHCDLXIXTAJ-QGZVFWFLSA-N 443.347 4.513 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 475575500 ZZZGGHLDVGFUIE-UHFFFAOYSA-N 449.595 4.902 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 476800624 ZKSCUHIAYXODJS-UHFFFAOYSA-N 426.582 4.551 30 10 IJEE C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1cccc(OC)c1 488923831 WSLGMIPOAOJUCS-UHFFFAOYSA-N 445.504 4.827 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 513617443 RZLSKAHIBAMDRZ-SFHVURJKSA-N 437.477 4.735 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2nccn2C)cc1 517474311 ZZJOONWXGIONSP-IERDGZPVSA-N 435.553 4.592 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)c(OC)c2)c1 526607625 ZMZDZKZJQFPALM-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccccc2)cc(Br)c1O 526800011 UJWWQAFTTOKMHR-NHDPSOOVSA-N 447.358 4.628 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2)c1 586005546 NVXGDOQPTJSFFS-FQEVSTJZSA-N 440.975 4.607 30 10 IJEE Cc1ccc(CN(C)C[C@@H]2CCCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 719940982 FJIZGTAXUVSNDY-VWLOTQADSA-N 448.460 4.638 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc1C#N 752303676 RRNFUOMEYPDJND-KRWDZBQOSA-N 447.539 4.574 30 10 IJEE CC(=NNc1nc(-c2ccccc2)cs1)c1cc2c(cc1Br)NC(=O)CO2 767360858 MOXJJWQVHPFGPS-UHFFFAOYSA-N 443.326 4.740 30 10 IJEE C=CC[C@]1(C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)CCCN1C(=O)OC(C)(C)C 791718681 UKOUUFXOPNAJRY-SPLOXXLWSA-N 433.530 4.748 30 10 IJEE C#C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1 812350770 ANYNFFMAFNHQSB-HXUWFJFHSA-N 448.872 4.702 30 10 IJEE C=CCn1c(SCc2cc(=O)oc3cc(O)c(Cl)cc23)nnc1-c1ccccc1 1087330800 JWLHOKJOIIEPHA-UHFFFAOYSA-N 425.897 4.889 30 10 IJEE O=c1cc(C(F)(F)C(F)(F)C(F)(F)F)nc(O)n1-c1c(Cl)cccc1Cl 1088692008 QIWHSNZBPBIGKW-UHFFFAOYSA-N 425.087 4.534 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2csnn2)cc1 1125735794 JTFMJKLWHJRTEZ-UHFFFAOYSA-N 432.318 4.935 30 10 IJEE C#CCN(C(=O)[C@@H]1Cc2ccc(C)cc2S1)[C@H]1CCOc2ccc(Br)cc21 1126229951 UINZNBONZFPEMO-RXVVDRJESA-N 442.378 4.760 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(COc2ccc(C)nc2)c1)c1ccc(Br)cc1 1129730082 CSSQAAHTUVNQGZ-JOCHJYFZSA-N 435.321 4.836 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 1136957058 KHDLRBBIDWAFML-IEBWSBKVSA-N 435.996 4.675 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 1138264074 JHCMSVIBVSUDMT-FFZOFVMBSA-N 436.980 4.878 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C12CCC2 1143911293 FZUGLGHPDPBYDC-FCHUYYIVSA-N 446.551 4.868 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1159426984 LFAWGINPLKENIR-OAQYLSRUSA-N 443.385 4.568 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)cc21 1179493948 HNOFIWPFIXJZKE-HHHXNRCGSA-N 446.370 4.511 30 10 IJEE CN(CCOc1ccc(Br)cc1)C(=O)CSc1ccc(C#N)cc1Cl 1188970225 HOIIHKGQNAKONW-UHFFFAOYSA-N 439.762 4.604 30 10 IJEE C=CCC[C@@H]1CCCN1CC(=O)Nc1c(Br)cc(C)cc1Br 1198406242 HHJCOXCDJQHMGH-CYBMUJFWSA-N 430.184 4.889 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 1203540924 PURQQRGSWOGXAI-NRFANRHFSA-N 441.572 4.780 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c1 1215117266 GDTIRJDSTTWLJT-UHFFFAOYSA-N 442.991 4.629 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 1224913511 DOUGJZAUUKRHIH-DOTOQJQBSA-N 426.342 4.610 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1)c1ccc(F)c(F)c1 1234556207 QKCCKYZLQDONFH-VJBWXMMDSA-N 439.510 4.849 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 1275699108 MWPWBSBUTPTNDA-FQEVSTJZSA-N 444.560 4.923 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCC(OC)CC1 1286361494 PQMGLCYMIWCYMR-LWEYNCJUSA-N 445.007 4.963 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1(COC)CCCC1 1286380166 IZZQHNPCLOAFDN-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1286402512 DHCKCZITUNWZTK-UWJYYQICSA-N 442.966 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1286527660 GTVQVFIMJYDLJD-ISJBWFOZSA-N 436.600 4.670 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCCSC 1286535246 MXPVOIHGKVLSIX-UHFFFAOYSA-N 445.814 4.705 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1286622013 QQTIYOVQZXOTPS-UHFFFAOYSA-N 437.334 4.911 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2CCCCC2)CC1 1286658867 ADZAROBZVIPJBS-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286685423 REKUJKYEXQGFSZ-PKOBYXMFSA-N 448.409 4.550 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1286728336 WCUBJJWNTKSFAO-UHFFFAOYSA-N 433.622 4.636 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H]1CCCCN1CCC 1286741468 HRHMOYDOFRDFQO-DEOSSOPVSA-N 432.616 4.874 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccsc1 1286764476 QHUNVVCPFNVFCQ-QHCPKHFHSA-N 426.586 4.733 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 1291058866 FXCMZYOWJJYHFN-UHFFFAOYSA-N 448.615 4.624 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1300349215 RCKXRIZMZOCMOG-NRFANRHFSA-N 426.467 4.506 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccnc1OCCC 1300606139 GORKPKUXWCPBSK-SFHVURJKSA-N 449.624 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1Cc1c(CC)nn(C)c1CC 1300787600 MAZPAAPWZUDWME-KDYSTLNUSA-N 444.627 4.719 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1Cc2ccccc2[C@H]1C 1300853591 RSCLGMYONNLTMY-CYBMUJFWSA-N 430.375 4.624 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1300956194 QZVKMDNFDFNURL-SFHVURJKSA-N 425.577 4.529 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCOC2)C1 1301177339 YBYLRWPZNSJTTK-LJQANCHMSA-N 437.407 4.742 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccc(C)o1 1301239344 NSXOYUFYLFKDCP-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1csc([C@H](C)OC)n1 1301346925 LLRSPRRPIZEYAN-SFHVURJKSA-N 446.580 4.745 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1ccnc(OC(F)F)c1 1301347249 RJLMGIAWTOWPSB-UHFFFAOYSA-N 448.477 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCC(C)CC2)nc1 1301375475 NYWCXPCJRFDHPR-UHFFFAOYSA-N 432.572 4.705 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1301412832 KPRHAFBMRMKMEQ-NRFANRHFSA-N 427.637 4.815 30 10 IJEE C=CCn1c(N(CCC)CCc2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301474274 XPJMLRRXWFKQPI-HDICACEKSA-N 445.633 4.755 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)F)C1 1301594829 JUDCFUSMDLONEK-JKSUJKDBSA-N 440.535 4.958 30 10 IJEE N#Cc1cccc(Br)c1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1306967299 HIEOWNSHQKGKLI-CYBMUJFWSA-N 426.236 4.910 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 1307163264 CRCNWTSSWNIUKL-NIAPBTPMSA-N 435.590 4.999 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2sc3c(c2c1=O)CCCC3 1307260706 FHVDITGMHYNCCQ-HLLBOEOZSA-N 445.654 4.556 30 10 IJEE C=C(C)[C@H](NCc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1308377102 UYIDKVYKSQGSIQ-UWJYYQICSA-N 447.530 4.535 30 10 IJEE C=CCC[C@H](NS(=O)(=O)C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(C(F)(F)F)cc1 1309334106 IJFKASAWRKVWSA-OWCLPIDISA-N 445.425 4.742 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4c(Br)cc(C)cc4C3)cc21 1311251658 FRLYVHRMVUPCTR-UHFFFAOYSA-N 425.330 4.883 30 10 IJEE C=C(C)[C@@H](NC(=O)NC1(c2ncc(Br)cn2)CCC1)c1ccc(F)c(F)c1 1312536577 PZAZMRIUCFYVTH-MRXNPFEDSA-N 437.288 4.513 30 10 IJEE C#CCC1(NC(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(C)c2)CCOCC1 1313216850 WCJMTFGBLZCSEO-UHFFFAOYSA-N 430.907 4.952 30 10 IJEE CO[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1)C(C)C 1315194205 FCYABLNIBSLKBL-YLJYHZDGSA-N 441.645 4.932 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(I)cc1OC 1348450069 MICCNAIQVSECGV-UHFFFAOYSA-N 447.725 4.843 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 1353676819 DQZAXSUDWGAFIB-UHFFFAOYSA-N 430.895 4.847 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1 1357290894 IVCYFZDOECOTOZ-RRPNLBNLSA-N 425.576 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCN(C(C)C)C(C)C 1359064178 NCUBUIWFBINJIX-NBGIEHNGSA-N 441.595 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H](OC)c1ccc(Cl)cc1 1359114528 NNKUMZRKRMGFPR-NRFANRHFSA-N 425.964 4.707 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC2(CCC2)C[C@H]1CC 1359136131 AHUJMYXWTYOAJD-LJQANCHMSA-N 428.552 4.748 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1359203569 RBWIUYZZEGFLBY-FYYLOGMGSA-N 442.579 4.618 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359223840 XPUHTJFMSBLMFH-GOTSBHOMSA-N 438.616 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1359238751 VNOXNKJRLVNTKT-BGYRXZFFSA-N 434.588 4.590 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCCN1CCCCC1 1359258665 YOAXKUPNJYXYOM-UHFFFAOYSA-N 430.600 4.717 30 10 IJEE O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)n1 1360533662 HHVODXVKQWWQMX-UHFFFAOYSA-N 448.298 4.619 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCSC(C)(C)C2)nnc1-c1ccc(Cl)cc1 1439676405 NLDWKFFNIRYAFF-MRXNPFEDSA-N 437.034 4.667 30 10 IJEE C#CCN(C(=O)CCc1ccc(F)c2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1455811878 SCZCHEVGBVYOPE-UHFFFAOYSA-N 438.543 4.773 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1457715306 LLXXLVMMJYNURQ-OAHLLOKOSA-N 432.933 4.656 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3cc(Br)ccc32)CCCN1C(=O)OC(C)(C)C 1458130065 FFFANFQYZXHNQM-NRFANRHFSA-N 435.362 4.684 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCCC3 1458776503 HXLSXDQYUDOYKK-IBGZPJMESA-N 426.607 4.972 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1 1459930956 HPSAAJUNTHTXGK-YOEHRIQHSA-N 448.489 4.576 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21 1459978616 BESIDNHJQBPCCR-PCCBWWKXSA-N 428.374 4.717 30 10 IJEE COC(=O)c1cn(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)c2ccccc12 1460442798 FQPVHQLAVZMTBG-HNNXBMFYSA-N 435.549 4.761 30 10 IJEE C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1463794869 LGSWPDQWSZUSNQ-UACNQURRSA-N 432.326 4.945 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1467944625 TUGNKSDKQGBULU-SFHVURJKSA-N 449.382 4.729 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C 1469297200 VBSYVXQHWZGVFE-RTBURBONSA-N 438.609 4.739 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br 1470787147 SWMDWOHULCVQLY-KQTLUZQSSA-N 434.216 4.659 30 10 IJEE C=C[C@@H](CC(=O)NCc1cc(Br)cc(Br)c1N)c1ccccc1 1471955729 NOFCIZRYPJCAGB-LBPRGKRZSA-N 438.163 4.770 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1472800019 GKMWIURTOOCDRJ-CTNGQTDRSA-N 442.604 4.539 30 10 IJEE CSc1cccc([C@H](NS(=O)(=O)c2cccc(C)c2C#N)c2cc(F)ccc2F)c1 1475034910 FMTQJWVUNDOJOM-QFIPXVFZSA-N 444.528 4.935 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1 1477130279 JDCYZHCFRUCOKR-NRFANRHFSA-N 437.544 4.566 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 1478963941 DPVZYAKMFMOQDA-UZLBHIALSA-N 438.385 4.550 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](CC)C(=O)OC(C)(C)C 1479386904 POCGKCNORPFOEE-AWEZNQCLSA-N 443.357 4.654 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CC1CCC(C(F)(F)F)CC1 1503461828 HPYVDEBCCFMFNY-IOJLRTSASA-N 447.505 4.659 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccccc1)C1CC1 1507520971 UFYZKHYGXVPMEK-BEFAXECRSA-N 438.373 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1CC 1507521956 DOFDRCNTPIHNNH-AWEZNQCLSA-N 429.387 4.838 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC23CCC(CC2)C3)c1 1507551789 ZFRDOEDDWQWOCZ-UHFFFAOYSA-N 433.600 4.503 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1507606637 SIZXGMJAJWDSPH-CLOONOSVSA-N 439.673 4.855 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]2CCC[C@H]21 1507758002 FXRBNBGGYGNFRQ-RTBURBONSA-N 442.654 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C#N)o1 1507764026 IQNDQZNXAFPBRT-WAIKUNEKSA-N 435.915 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)N(CC)CC 1507765090 XSMLWSQRAPBAQL-HHJKRLRDSA-N 439.673 4.854 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1 1507779286 MWOSRVMBQUSJEB-UGKGYDQZSA-N 445.405 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC1(N2CCSCC2)CCCCC1 1507819402 QPNCSZYTAAEQHO-OAQYLSRUSA-N 447.693 4.674 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCC(F)(F)C1 1507997563 BIGWJQFZBIJRKD-LJQANCHMSA-N 441.526 4.920 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OCC)C1 1508109081 ODZICIVPCOLNJP-OAQYLSRUSA-N 438.597 4.549 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCCC(F)(F)F)C1 1508111907 KQXYAGRWPHHWQU-QGZVFWFLSA-N 431.462 4.617 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCc2sccc2C1 1512692382 GJKLUEXQELROQX-BXKMTCNYSA-N 435.597 4.628 30 10 IJEE CC(C)[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H](C)NC(=O)OC(C)(C)C 1515746048 AFBKRSNPXKTSSX-IERDGZPVSA-N 438.528 4.869 30 10 IJEE C=CCN(C(=O)Cc1ccc2c(c1)CCCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1522119893 UAUPIKHLXDSWLC-UHFFFAOYSA-N 435.505 4.805 30 10 IJEE C=C[C@H](CC)CC(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1523059969 UHPYBTKPVLMTTP-QJMZJAKPSA-N 427.353 4.748 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)C(C)(C)C)cc1 1523656920 HQGHGOQWIQYWNU-QHCPKHFHSA-N 443.609 4.597 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2sc(-c3ccc(C)c(C(F)(F)F)c3)nc2C)n1 1525225959 SPWAUODDWFEDLO-UHFFFAOYSA-N 446.498 4.938 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(Br)cc1 1528498692 ZMDMVLUHJQQILW-LJQANCHMSA-N 428.717 4.701 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)c1ccc(F)c(F)c1 1529493394 XTQKVJBYOFUGQX-LJQANCHMSA-N 432.268 4.960 30 10 IJEE Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(C)c(C#N)cn3)[C@H]2c2cccs2)cc1 1530645702 BOXXDVYQXIULNQ-CVDCTZTESA-N 430.533 4.755 30 10 IJEE C#CCN(C(=O)CO[C@@H]1CCCC[C@@H]1CC)[C@H]1CCOc2ccc(Br)cc21 1531554526 VXZRXOLFVDSWCG-FFZOFVMBSA-N 434.374 4.720 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnc3ccccc3c2Br)c(OC)c1 1534178479 LFTVITOHCHKIHW-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)ccc1OC 1537916245 DRABSGWVRZEWBV-AWEZNQCLSA-N 442.821 4.858 30 10 IJEE C#CCOc1cccc(NC(=O)c2cnc(-c3cc(Br)ccc3OC)s2)c1 1537950068 SAHNIHPBHWVZSM-UHFFFAOYSA-N 443.322 4.846 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 1538889725 CBVNXZABBYKUAD-PBHICJAKSA-N 431.514 4.504 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1Cc1ccnc(OC2CCCCC2)c1 1538994506 DBYXASOBBHLEII-IBGZPJMESA-N 445.567 4.566 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)CN1CCCCC1 1539154594 QKVGLSNLLJHOQW-NRFANRHFSA-N 444.627 4.544 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1539279121 UTLHRYZILJPUFA-UXHICEINSA-N 444.501 4.786 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCN(CCC)C1 1539391648 GPSWEHXNIGPOLZ-HSZRJFAPSA-N 437.607 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC)(CC)C1 1539619962 IUBRGDQNMLZKKD-FPOVZHCZSA-N 439.560 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(N(C)C)CCCC1 1539651743 JYXDZDHNXCVTDS-UHFFFAOYSA-N 433.604 4.612 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccccn2)CC1 1539855978 PJOMMLPFIKNYFD-UHFFFAOYSA-N 431.584 4.949 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2N(C)CCCC2(C)C)CC1 1539856282 XDVQHLNNAJHGDU-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1539938911 CQSRIPQQEHLRGH-TZIWHRDSSA-N 435.597 4.595 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2ccnn2C)CC1 1540014008 GBIULRPGGUOODB-UHFFFAOYSA-N 436.629 4.963 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(OC)CCC(C)CC1)C1CC1 1540115101 BBUTZAFGQURERS-DHYJKAKLSA-N 430.637 4.947 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCSC1 1540180741 UJUQRGBXQBVCLT-VXKWHMMOSA-N 426.630 4.898 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1540919856 YHTJTBCMUZGIJN-NRFANRHFSA-N 440.638 4.897 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1540922438 ODRXXHYDWCHXCS-VQTJNVASSA-N 444.670 4.661 30 10 IJEE CC(C)(C)OC1CC(CCn2c(-c3ccccc3F)nnc2N2CCC(C#N)CC2)C1 1541223812 GYXFTSIYBCHUDB-UHFFFAOYSA-N 425.552 4.808 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(Br)cc2)CC1 1544770036 GKRREMQIJSREER-OAHLLOKOSA-N 443.769 4.590 30 10 IJEE N#Cc1ccc(NCC(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cc1 1544960260 AJBHOQZXAIJVOF-UHFFFAOYSA-N 426.358 4.794 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1cccc(C)c1 1545025026 CUUMOLLKGLAYSY-ZCYQVOJMSA-N 440.503 4.602 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)C1 1546656059 FSMKRUCRTAPNRF-XMSQKQJNSA-N 434.613 4.808 30 10 IJEE C=C[C@H](CC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1ccccc1 1556857927 NRRGRGQNYWUROY-XLIONFOSSA-N 425.878 4.994 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1558670786 ZPRJSSGRYPFTAR-KRWDZBQOSA-N 436.936 4.851 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCC2(c3ccccc3Br)CCC2)cc1 1562235681 NJQMIVBWBJOQKA-UHFFFAOYSA-N 442.357 4.608 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 1562929159 JGGDBWQVSUHIOQ-MRXNPFEDSA-N 443.700 4.662 30 10 IJEE C=CCN(C(=O)NCc1ccc(Br)cc1Oc1ccccc1)[C@@H](C)COC 1564016982 SMFNWMZRSRIGML-INIZCTEOSA-N 433.346 4.974 30 10 IJEE C#CC[C@]1(C(=O)N2C[C@@H](C(C)C)Cc3cc(OC)ccc32)CCCN1C(=O)OC(C)(C)C 1584277917 UPFNZXSFGRPNHS-RXFWQSSRSA-N 440.584 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CC=CCC1 1587594718 XXQAWSVDPBWTCZ-GOSISDBHSA-N 435.572 4.533 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1C 1587724016 YZJSLCKFPKNEJS-UHFFFAOYSA-N 431.371 4.734 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CCC1 1587738483 CYWIPTOANLBOHO-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CCC 1587847057 CMBPZBXPTWJLET-IBGZPJMESA-N 434.588 4.522 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl 1588063542 VWAUOKCHPUWIRA-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1nc(C)c(C)s1 1588099705 WTVDXFIYCNSOKE-UHFFFAOYSA-N 449.649 4.664 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cccc(C(F)(F)F)n1 1588288720 JMACHUYORQNHGK-UHFFFAOYSA-N 449.864 4.529 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC1(COC)CCCCC1 1588451910 JLDJNAOYRAWODB-UHFFFAOYSA-N 426.630 4.935 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCCC1 1588480774 CXCNWISRRPSFIY-UHFFFAOYSA-N 447.558 4.513 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCCCSC 1588482940 YUMWSFRBNIKSIO-UHFFFAOYSA-N 443.979 4.916 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC[C@H](C)C1 1588575006 XEMVSLHFCKABKD-FHWLQOOXSA-N 430.980 4.594 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1588984656 INYHTUMULSWGCL-OFVILXPXSA-N 440.657 4.828 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1593677816 LUAVKJXJRRZAPJ-QGZVFWFLSA-N 439.551 4.528 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCN2CCC(C)CC2)CC1 1594133602 AJEOGFZEANNKMY-DHIUTWEWSA-N 443.680 4.865 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1594247015 DYACSYHLJYCMEW-VQTJNVASSA-N 425.596 4.531 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1594693185 SDJDVJOSHPWUHZ-IEBWSBKVSA-N 441.645 4.593 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1594698717 WNNDFVMNHIQWPH-UHFFFAOYSA-N 425.964 4.788 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](Cc2ccccc2)C1 1594775348 SDHPUXZAHKPSIP-DNVJHFABSA-N 438.616 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC1CCCC1 1594907004 OGZVESCOEJTTCH-UHFFFAOYSA-N 433.394 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1nc(C)cs1 1594907316 SLSYGTUJOQYKEJ-LLVKDONJSA-N 438.420 4.960 30 10 IJEE C=CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)CC)C1CC1 1595050303 FGPJYLBMQKTRRE-UHFFFAOYSA-N 434.588 4.827 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1OCCC1(C)C 1595196625 YYNDBIULHSGAJD-SFHVURJKSA-N 431.378 4.701 30 10 IJEE C#C[C@H](NC(=O)c1cc(OC)ccc1OCC(F)(F)C(F)F)c1ccc(Cl)cc1 1596960650 FNWWPCXJVUVPDO-INIZCTEOSA-N 429.797 4.732 30 10 IJEE C=CCn1ncc2ccc(NCc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)cc21 1621087429 LQSRMTHLTHKDHX-IBGZPJMESA-N 436.556 4.986 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)Cc1ccc(C(=O)OC)cc1)c1ccc(C(F)(F)F)cc1 1621949308 KFKLTPZRFXKTAA-LJQANCHMSA-N 441.471 4.619 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1 1622870448 FWGMLRPBJSOIDB-UHFFFAOYSA-N 434.496 4.591 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c1 1623033739 LLZVIGIWJPIWJI-HYBUGGRVSA-N 429.561 4.943 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 1623648901 GGUSOBCKBIGQRL-MRXNPFEDSA-N 425.579 4.618 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2cc(C(=O)OC)sc12 1625148650 VXAPXDJVQQYNPK-MRXNPFEDSA-N 432.542 4.876 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCc1ccc2nc(O)[nH]c2c1 1638808184 LYOZIGVSQKTWQT-UHFFFAOYSA-N 430.302 4.557 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 1640698770 UCFZYVKWTIRTGL-MRXNPFEDSA-N 432.870 4.667 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 1645232754 YNJQUSHWAGPFFM-HKUYNNGSSA-N 435.996 4.532 30 10 IJEE C#CCOc1cccc(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 1649401639 SEKHGRWHLNGKPU-SFHVURJKSA-N 435.524 4.749 30 10 IJEE C=CC(C)(C)CCCNc1c([N+](=O)[O-])cnc2c1ccn2S(=O)(=O)c1ccccc1 1651392194 XTNCABKEJWHXEZ-UHFFFAOYSA-N 428.514 4.586 30 10 IJEE C=CCn1c(SCc2ccc([N+](=O)[O-])cc2OC)nc2sc3c(c2c1=O)CCCC3 1652458323 GEZSKGHJZSDKCN-UHFFFAOYSA-N 443.550 4.732 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCC(C)CC2)nc2sc3c(c2c1=O)CCCCC3 1655979685 TZFUHWLNYXHHBF-INIZCTEOSA-N 445.654 4.652 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 1655981925 NSUFRWCPPJIIDM-MRXNPFEDSA-N 441.984 4.944 30 10 IJEE C=CCc1cc(CNCc2c(F)c(F)c(Br)c(F)c2F)cc(OC)c1O 1658165293 YXJFDYFIDBQEGQ-UHFFFAOYSA-N 434.227 4.738 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1ccc(Cl)cc1F 1658319980 DKBCFCLSHJXLSQ-YRVVQQKDSA-N 433.886 4.728 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)c(F)c1 1658779773 LKCYQBLZCOFQQP-NRFANRHFSA-N 449.523 4.578 30 10 IJEE C[C@@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 1659825367 FSWMLANWGUEIOX-NSHDSACASA-N 447.276 4.721 30 10 IJEE COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(C)c1)CCO2 1660522588 FDKGVWDFMXSNLI-DEOSSOPVSA-N 448.544 4.590 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 1661348030 REPUBESOKLZTFA-UHFFFAOYSA-N 431.435 4.804 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1669272573 SQJJURQUGFPZJL-IBGZPJMESA-N 433.549 4.732 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)cc1 1672605454 USJMXUYLZLDENM-UHFFFAOYSA-N 437.540 4.866 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(Br)cc1 1674026030 QNVGZCIOERMLFP-WMZOPIPTSA-N 437.341 4.589 30 10 IJEE CC(C)CC[C@@H](CO)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1677312184 BLLLNMGCFVUVSO-HNNXBMFYSA-N 440.491 4.543 30 10 IJEE C#CCN(C(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1)[C@@H]1CCCc2ccccc21 1677604795 NLBBHNSVEZTKST-OAQYLSRUSA-N 443.469 4.718 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl 1678937921 YXVITYRMLHRMQB-UHFFFAOYSA-N 427.715 4.537 30 10 IJEE N#Cc1ccc(CCNC(=O)NCC2(c3cccc(Br)c3)CCCC2)cc1 1680538261 AUMHAPFMZVYALB-UHFFFAOYSA-N 426.358 4.674 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 1681553399 XXNLWHOGNGAJGR-MGPUTAFESA-N 442.428 4.751 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1689833848 RHGZSWVPAUHRJO-NOXFTYBFSA-N 446.599 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1Cc1c(C)coc1C 1689841843 OZNGFTYXGJIFGG-GOSISDBHSA-N 436.556 4.849 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1689894864 ADSKPVDMPJIJIW-WIYYLYMNSA-N 435.374 4.832 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCc1sccc1C 1689971937 BFXZZZAITYMITC-UHFFFAOYSA-N 443.016 4.934 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC[C@@H](C)N1CCCCC1 1690089729 KYCYPISDXFKYDO-OAQYLSRUSA-N 437.607 4.979 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(=C)CC1 1690221506 XXWQJMHTLJMTEV-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)(C)CC1 1690240761 KJVWGWMRLGWYJH-UGKGYDQZSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)C(=O)NCC 1690258329 CIPSRACJTOQDGN-QGZVFWFLSA-N 443.661 4.696 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1691934187 DLMJLGLKDBWVCJ-IBGZPJMESA-N 440.473 4.904 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)C1 1692845037 BSDYNTWNUFYSBK-KNQAVFIVSA-N 446.020 4.926 30 10 IJEE C[C@H]1CCCC[C@@H]1OCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1693639197 CKICMHFXMOUXHR-CVDCTZTESA-N 439.579 4.733 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC1CCCC1 1705526527 LQJHIJYOESRUNU-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC(F)(F)C1 1705625513 NLJYBJGWNRMBHR-IBGZPJMESA-N 439.485 4.863 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@@H](COC)C1 1705697737 XMTNFFHBQRGCLS-UZKOGDIHSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1Cc2cccc(Br)c2C1 1705701458 GPZKSVUIYQDSBG-UTKZUKDTSA-N 445.405 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC1CC1 1705710727 ZKWAKXCDXGGXHK-AVRDEDQJSA-N 430.980 4.728 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1705796655 IHKAGYGKVAHZKH-IBGZPJMESA-N 445.958 4.780 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1705815362 UDNBYMAGULVCEN-PMACEKPBSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1705829036 FMAMDFRPNJYIEQ-LJQANCHMSA-N 437.371 4.633 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCO[C@@H](C)C1 1722280523 KGZVCYSTSBVZQR-GBESFXJTSA-N 426.630 4.939 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722408070 YIZCFHRDSCLNMA-SJORKVTESA-N 436.478 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 1722587397 MWGDZOKDNXJLFF-UHFFFAOYSA-N 430.593 4.789 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCSC2(CCOCC2)C1 1722588831 GDHDCMRMOITNCX-UHFFFAOYSA-N 432.659 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722591141 FOSRHQBSQQEOJK-KRWDZBQOSA-N 446.521 4.898 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722605644 OEKUBNKIKXKGIA-QUCCMNQESA-N 431.625 4.717 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1722611091 VJTCFGVCINLKPL-SFHVURJKSA-N 431.968 4.668 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cccc(F)c1 1722635983 WVOXVIKDKSLHEI-INIZCTEOSA-N 426.561 4.972 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NC1CCCCC1)C1CC1 1722646893 YIOORTWYELSODE-UHFFFAOYSA-N 427.980 4.592 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCC1CCOCC1 1722656210 RVFVTRDUKFZUKA-UHFFFAOYSA-N 433.600 4.892 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)s1 1722681552 MIPHZQQUOSMHSS-UHFFFAOYSA-N 437.396 4.924 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1722686916 UGBYOHSQOHWGBV-KRWDZBQOSA-N 428.005 4.653 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)CC(C)(C)C1 1726670582 GNSQULNTAPCOJV-NHCUHLMSSA-N 434.632 4.954 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](F)(C#N)C1 1726820927 ANPCLHNQDHJONY-IRBZQWRBSA-N 445.608 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCSc1ccccc1 1740733191 FUMCYWUYIGQFLE-HSZRJFAPSA-N 437.638 4.808 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H](C)CN1CCCCC1 1740733787 QTGWOILGJXGHHM-WNCULLNHSA-N 433.644 4.568 30 10 IJEE C=C(Br)Cn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1740748506 GTADLXOGKOHMTK-LPHOPBHVSA-N 445.405 4.518 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nc(C(C)(C)C)cs1 1740776229 SCPZNGCHBPHPFQ-UHFFFAOYSA-N 449.628 4.721 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)NC2CCCCC2)CC1 1740821289 HQBPILSGCBNPPL-UHFFFAOYSA-N 427.980 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](SC)C(C)(C)C)CC1 1740834547 AZTRYWYUMRPQKC-HXUWFJFHSA-N 428.602 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1740849175 AIUJMPFCWHSAGC-UHFFFAOYSA-N 446.599 4.558 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@@H](C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740852745 RGMBPSFFCRQRCA-MKXGPGLRSA-N 431.625 4.743 30 10 IJEE C=CC[C@@H](Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1740855997 QJXBZDZQCBPNMG-QFIPXVFZSA-N 437.632 4.630 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1c(C)noc1C)C1CC1 1740908856 NZTAIVKZBSPMIQ-UHFFFAOYSA-N 428.334 4.516 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1740927050 QFWZFTPUGZJBLK-BHIFYINESA-N 429.653 4.701 30 10 IJEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC2(CCCCC2)C1 1748734467 DFWXJBISTLMAHH-UHFFFAOYSA-N 425.558 4.523 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1748907057 FRXVLOMMKLDJGN-UYAOXDASSA-N 433.625 4.909 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1ccc(C)cc1 1749120490 DXVMLBAHZGLVBI-REWPJTCUSA-N 436.556 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(Cc1ccco1)C(C)C 1749132572 AMEWNTPINFOYEF-UGKGYDQZSA-N 426.586 4.920 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCc2sccc2C1 1749218705 UBGDAGHYSJFPSY-UHFFFAOYSA-N 429.977 4.601 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2cccc(OCC)c2OC(F)F)CC1 1749342546 IKCKXEMQTCNUOA-UHFFFAOYSA-N 434.531 4.927 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(N(CC)CC)nc2)CC1 1749343172 BZTNIYJGQGDNOJ-UHFFFAOYSA-N 444.627 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1749355382 GZGBQCHDPFTSQB-XMMPIXPASA-N 442.629 4.898 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](NC(=O)CCC)C2)nnc1C(C)(C)C)c1ccccc1 1749386366 ZXVMJNMVSBIIQN-YADHBBJMSA-N 437.632 4.821 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749418079 WVJXOVPIWVNOSX-JOCHJYFZSA-N 437.632 4.950 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1749447797 OAMAUJHYUWXTOQ-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC1CCOCC1 1749448225 VUOJXKZRVUXBFV-SFHVURJKSA-N 444.645 4.587 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC12CCOCC2 1749498953 OITKIBZQYBUIRP-IBGZPJMESA-N 445.007 4.690 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2CCOCC2)C1 1751273635 HNAYNODXFOBNOI-QFIPXVFZSA-N 431.943 4.684 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CSCCS1 1760105056 ALSLINQYUDCHSS-GXTWGEPZSA-N 427.426 4.558 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760130422 IHAHOVSCXZMVMN-ZCNNSNEGSA-N 444.023 4.794 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CN(C)C(C)C)CC1 1760146121 CHIHSRZSRFJRGZ-UHFFFAOYSA-N 444.627 4.772 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760158082 JMJWJURQQFAPIJ-SIKLNZKXSA-N 436.581 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)C(C)C 1760213964 XMDHEZHAZKHOTO-UHFFFAOYSA-N 449.599 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCS1 1760291455 PLIVMXQIKPFZFK-HTAPYJJXSA-N 431.005 4.885 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cccc(OC(C)C)c2)nnc1C(C)(C)C 1760328648 ZBAMAKBJXQSZRH-IRLDBZIGSA-N 426.605 4.980 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1760336224 WHRYIQVWFLLRFD-AZUAARDMSA-N 432.515 4.765 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1N1CCCC1 1760370967 KUHXYULJVCFOOX-UHFFFAOYSA-N 443.382 4.983 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1760399647 AVEGPBHVPODSLW-IBGZPJMESA-N 425.596 4.997 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC(=C)Br)CC1 1760406277 ZHIMLMGJAFTXMH-UHFFFAOYSA-N 449.418 4.890 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1760432404 LFYCDZDLTBBKKI-GOSISDBHSA-N 446.617 4.659 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1760445276 FJUNIGXCIOFGAF-IRLDBZIGSA-N 437.588 4.509 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 1760560520 XVGCIXIHBFWGSB-CQSZACIVSA-N 428.936 4.836 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(Cc2ccsc2)CC1 1760563219 KRIJCGDFAANUPT-UHFFFAOYSA-N 439.654 4.556 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCO[C@H](C)C2)C1 1762462143 GFTZGVLWTCGJGC-UMEGOILYSA-N 437.588 4.560 30 10 IJEE CCCN(CCC)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1764352709 DFYAJNICLGWJPT-WOJBJXKFSA-N 440.661 4.659 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1764921534 ICBCXTRXTCPMJO-PGRDOPGGSA-N 436.629 4.994 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](CC)C1)OC 1765245916 CMPGTSREVFMEMF-YADHBBJMSA-N 441.645 4.990 30 10 IJEE O=C1/C(=C/c2cccs2)SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 1772759587 VPRYJTJDMSYDIH-KLAVOZPOSA-N 438.490 4.756 30 10 IJEE Cc1ccc(/C=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C#N)cc2)cc1 1860912455 CJHOQSKPCXRUJL-UMEWRJQLSA-N 448.526 4.727 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1OCC 1861353482 NENDIXNQHQHYNW-QHCPKHFHSA-N 440.584 4.609 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862445764 CYQHVFSWRWJHHT-IBGZPJMESA-N 434.319 4.997 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(OC)c1 1862470749 VNKUANGUIDQWEJ-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCC4(CC3)OCCO4)[C@@H]2c2ccccc2C)cc1 1862475892 WSZMHHYFDGOLJQ-HSZRJFAPSA-N 447.531 4.567 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2C(=O)O)cc1 1862477819 SEOVOUQPTJYITH-OAQYLSRUSA-N 447.512 4.576 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862490933 HTQNBCBHIZWDAB-XMMPIXPASA-N 437.499 4.958 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(OC)c1 1862524316 BVZZTHIWORRUEF-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862604446 DOJYJXNPXNRGNQ-GERBCZOESA-N 447.531 4.923 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(F)c1 1862615340 JOGZCBQUXBLLMN-NRFANRHFSA-N 425.500 4.738 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862669276 RXKVTQKLAZZKAZ-GAJHUEQPSA-N 437.536 4.558 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862676722 PPSZKHLIPOULNA-MMACOIQUSA-N 438.455 4.891 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2C)c1 1862698243 DSSPHTKAYUTGJW-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2F)c1 1862700153 BWQZKGBQBXISDG-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)cc1C 1862938137 USPQDBMTMZWOMQ-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCOC(=O)c1c(NC(=O)C2(C#N)CC2)sc(C)c1-c1ccc(Br)cc1 1866213455 HTJPUIHOCISTBA-UHFFFAOYSA-N 433.327 4.905 30 10 IJEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1ccc(C(F)(F)F)cc1 1870137020 WKUXGQDILBBUAA-UHFFFAOYSA-N 449.820 4.607 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(C)c(F)c1 1870872453 GTWYCUQWHLTRAP-UHFFFAOYSA-N 432.536 4.820 30 10 IJEE CCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)C1 1871355862 JWMUONQQOTUKRQ-QRVIBDJDSA-N 432.520 4.681 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871763214 WJJBYUVAXSPHDS-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1872144450 KWWSQMNJAVWABD-JOCHJYFZSA-N 429.586 4.621 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1872171674 LAWAXTYIHHYAMN-SFHVURJKSA-N 448.560 4.599 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1872252595 SGAHCQRJNILKST-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872291749 MJYUCIOSBZDCIL-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 1872405804 BHCAUCCHDKTQJZ-QHCPKHFHSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872445001 SWIMOGALHSSXRT-QFIPXVFZSA-N 432.561 4.933 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872534004 QIHZHUAOYPXQKI-DEOSSOPVSA-N 434.561 4.860 30 10 IJEE CCCc1ccc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872774659 YJMUHVHIKDJAAL-IBGZPJMESA-N 434.517 4.789 30 10 IJEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872779791 RHCMBLANFZMGJE-MIOHMZDASA-N 426.444 4.995 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(NCCc3ccccc3)ncnc21 1873607463 RSPLQSURGHEGBO-UHFFFAOYSA-N 440.551 4.590 30 10 IJEE CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccc2ccccc12 1874207047 DJXWOXFKJAKLDE-YNYZQSIGSA-N 441.560 4.552 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(Cl)cc1 1874222317 PQAQQEQFILDZPI-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(OCC)cc1 1874296627 KLSFPHRDDBGYJE-PXLXIMEGSA-N 425.514 4.560 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(C(=O)OC)cc1 1874300518 SWOHSDMESHWFCE-ZVHZXABRSA-N 438.553 4.645 30 10 IJEE O=C(CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccccc1)Nc1ccccc1 1874379293 KRTQURDGQQCECV-WGOQTCKBSA-N 445.523 4.621 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1)NCc1ccccc1 1874409796 NGBFVJMVPMFQTB-OVVQPSECSA-N 447.608 4.692 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2C)cc1 1874442445 BYSHKQAGJURSBP-JAMLUQCHSA-N 449.580 4.613 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccc(F)cc1 1874476253 HLVDQAVVKSQACN-MFKUBSTISA-N 439.560 4.935 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc(F)c2)o1 1874493164 YLHNPSHJIZRFQR-FSJBWODESA-N 428.489 4.629 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)cc1)c1ccccc1 1874523415 PHBVYTXDHQRUPU-GMJSKMFWSA-N 439.972 4.661 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874529174 VPTJADTXBPKWBG-FOKLQQMPSA-N 432.908 4.579 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1 1874594856 HFWFKXKCJWZXPB-RNYZQXAPSA-N 445.515 4.856 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)c1 1874596743 BADSJORYIFYWJG-UKTHLTGXSA-N 431.488 4.926 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1874610027 XHIGQDKCXNWGBO-SOFGYWHQSA-N 448.269 4.585 30 10 IJEE COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C#N)c4)CC3)c3ccccc3n2)cc1 1891402907 MUNMPIVXROBBFI-UHFFFAOYSA-N 448.526 4.744 30 10 IJEE C[C@](CC(=O)O)(Cc1ccc(C#N)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951848779 OETCQNJMWLZWES-HHHXNRCGSA-N 440.499 4.873 30 10 IJEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2014634485 FXBOIZOOLUHEJC-IERDGZPVSA-N 436.557 4.852 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2016223682 HNINYGBEBCPZLX-IIBYNOLFSA-N 436.557 4.853 30 10 IJEE C#CC(C)(C)C[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2048683952 LRAZSFJMZFASDC-HSZRJFAPSA-N 441.660 4.964 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC 2063099441 YNTVESZZKARNEN-ZIAGYGMSSA-N 435.765 4.842 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)c1 2124523567 HWEKOYDXPDPQCJ-IZZQQSIFSA-N 442.365 4.506 30 10 IJEE C=CCN(CC[C@H](Cc1cc(OC)ccc1Br)NCC)C(=O)OC(C)(C)C 2155517910 ZPSXWZHPJZXJRX-QGZVFWFLSA-N 441.410 4.792 30 10 IJEE CCCN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C)C1CCN(Cc2ccccc2)CC1 2172714950 DZDBSKDQNHKQBA-UHFFFAOYSA-N 449.448 4.570 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3cccc(Br)c3C#N)CC2)C1 2193611392 XWBPNKPASNLDDU-INIZCTEOSA-N 434.378 4.794 30 10 IJEE Cc1sc(Br)c(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c1C 2194129066 SDRTZQYMTJCDJN-DJJJIMSYSA-N 440.212 4.826 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#Cc1cccc(Cl)c1 2212455270 SVXVDPGGQASPMX-MTNREXPMSA-N 429.944 4.551 30 10 IJEE Cc1cc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C 2224124689 OLBVDZDLVJMJGH-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC12CCC(CC1)N2C(=O)OC(C)(C)C 2235718258 CSYBBPWLHGHQPS-PDDLGQBUSA-N 433.390 4.711 30 10 IJEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C1CCCC1 2267014112 TZKYURRZCSLTFG-UHFFFAOYSA-N 436.405 4.782 30 10 IJEE C=CCCC1(C(=O)Cc2ccc(OC)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2280955962 XUUJIQXNHDBLKS-UHFFFAOYSA-N 438.362 4.773 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2296219310 MRVZMTZSINTNPI-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@H](O)C#Cc3cccc(Br)c3)c2C1 2296219792 RKCSIDCJBBURQG-HXUWFJFHSA-N 428.326 4.785 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@]12C[C@H](CN1C(=O)OC(C)(C)C)C2 2296223899 FDNGUJQZJRSXLP-LQBOVUBWSA-N 433.390 4.568 30 10 IJEE CCCC1([C@H](N)C#Cc2cccc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2296279041 KPWBLMVGIDKLSC-LJQANCHMSA-N 435.406 4.945 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2296300933 OQYHVULTCNVGEE-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296310163 FXTAIJIQZQGRHJ-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1 2297059769 HSYQGXQUIWRJOP-XMMPIXPASA-N 442.515 4.836 30 10 IJEE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@H](O)C(C)(C)O)C[C@@H](O)C[C@@H]1O 2297732183 WFZKUWGUJVKMHC-QZEFAAEISA-N 432.645 4.676 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1C 2297741384 FBJALLSSFPCMJB-QFIPXVFZSA-N 448.906 4.674 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@](C)(C(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2306620042 JSEVJLZCLBDCRA-DNRQZRRGSA-N 430.589 4.992 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccc(Br)cc2)cnn1-c1cccc(Cl)c1 2322607200 JUBKQUZMHZPRDF-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC 2323106028 JBVOWOIHGZNRFE-UHFFFAOYSA-N 431.479 4.897 30 10 IJEE Cc1c(OCCN2CCCC2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2325669402 JELNBNZQMUMPNP-UHFFFAOYSA-N 441.911 4.606 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(N(C)C)cc1 2325721505 OXAYPAFUVSVWMX-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1Cl 2326185992 BOBZUHWYWRJDMX-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1cc(Cl)ccc1O 2328687849 LNFSZJZPFIPBHQ-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE Cc1ccccc1CCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccccc1 2329510634 DRKQRSXWYPXYBZ-UHFFFAOYSA-N 436.581 4.545 30 10 IJEE CC(C)(C)OC(=O)N1CCC(=NOC(=O)C=Cc2ccc(OCc3ccccc3)cc2)C1 2329921956 NGPSAQHOJGAUGJ-UHFFFAOYSA-N 436.508 4.819 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccco2)o1 2330267367 DJXGNFLFSCDJRX-UHFFFAOYSA-N 442.541 4.938 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccn2)c(C)c1 2330705563 QDNMUQOPQWXXCB-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1C 2330866743 SOSOFPIGQYFGJB-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccccc1 2331436135 KDBMSBWCPFDIMN-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1C 2331835199 TVTOMXHPCRIKFP-FQEVSTJZSA-N 444.911 4.955 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339593357 DZEVRGHINRLKIA-FEFOKTNTSA-N 443.397 4.641 30 10 IJEE CC1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC(NC(=O)OC(C)(C)C)C1 2339596192 HRWRLMXBRRWMLI-VAWYXSNFSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)C#Cc3ccc(Br)cc3)C[C@@H]21 2360196865 ZDEQGHCJFLPYCM-BZDHPDOMSA-N 430.342 4.548 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)c2cc(Br)cc(OC3CC3)c2)C1 2362788727 LVNYNEVBELOFII-SFHVURJKSA-N 438.362 4.885 30 10 IJEE CC[C@H](NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363842912 CKSHDQRJFLERTC-OZXSUGGESA-N 448.460 4.939 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)COc3ccccc3C)cc(C)c2c1 12241670 YCMNRDIDRIHJQW-UHFFFAOYSA-N 425.492 4.543 30 10 IJEE N#Cc1c(NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)sc2c1CCC2 14041767 HKCIFKPDVHOQFS-UHFFFAOYSA-N 447.585 4.857 30 10 IJEE CCCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(CCC)c2O)cc1Cl 38616535 FIYKDQATYKIMQT-UHFFFAOYSA-N 437.323 4.861 30 10 IJEE CCCCOc1ccc(C(=O)/N=C(/NCc2ccncc2)Nc2cc(C)ccc2OC)cc1 45940711 BZLIWLKGWDJIJL-UHFFFAOYSA-N 446.551 4.976 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 66227328 JXSQSWASVJEFAZ-IBGZPJMESA-N 429.520 4.793 30 10 IJEE COc1c(Cl)cc(/C=N\n2c(Cc3ccccc3)nnc2SC)c(OC)c1Cl 169916197 INYZHUUINVNTPW-JJFYIABZSA-N 437.352 4.797 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2O)c1 169932231 KRZYMVGEMXYCRR-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945896 WSCLVHFWLJUPEC-RUZDIDTESA-N 438.483 4.669 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972647 AADKATGRHAAROU-FQEVSTJZSA-N 436.508 4.986 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccc(C)o2)c1 170099413 AGAKRBKLNBHURV-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)c1 170224518 XRUQMAWRNORDBB-QHCPKHFHSA-N 429.472 4.964 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)c1 170224529 AWNUZZBDWSCKOZ-HSZRJFAPSA-N 429.472 4.962 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccco2)cc1 170281079 HMALQEAIEPWTKP-JOCHJYFZSA-N 431.444 4.915 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccco2)cc1 170291708 NNVQDTZWCWNVII-KNQAVFIVSA-N 439.508 4.606 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(C)o2)cc1 170301430 UYVOHFSXCRSHPX-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1cccc(F)c1 170313666 KYTZOTKNRGZWBH-LJQANCHMSA-N 437.448 4.707 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccccn1)c1ccccc1 170350537 XEYZSZXLWCBOCF-LJQANCHMSA-N 440.377 4.763 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(CC(=O)O)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 170469119 PXBXNLXJIYKXQG-QFIPXVFZSA-N 435.520 4.736 30 10 IJEE CCCCCCOC(=O)CSc1nnc(N/N=C/c2ccc(Cl)cc2Cl)[nH]1 253560374 ASIPGDSYYQYLSR-KEBDBYFISA-N 430.361 4.773 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ncccc1Br)NCCC 407815881 NYXHWZHKYIMEFC-FUHWJXTLSA-N 426.399 4.614 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCc2ccnc(O)c2C1 460964219 SEIUAMMOQHPGNL-GOSISDBHSA-N 441.535 4.811 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])s2)cc1 526603258 BQQDDGNRWDJIMK-NRFANRHFSA-N 447.472 4.984 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(C(F)(F)F)cc1 526827995 RGQMAXOJUULSKI-ROTLSHHCSA-N 448.470 4.820 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 555270015 VXXVSBGLJRRMLD-SFHVURJKSA-N 430.581 4.834 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 608812803 KKKKNRGEUXNTAA-IBGZPJMESA-N 441.531 4.786 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN(C)Cc2cc(C)c(OC)c(C)c2)c1=S 725785471 FPNFBLLIFVOGSN-UHFFFAOYSA-N 438.597 4.991 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 730137491 DYFGMACXTAAAIY-OAHLLOKOSA-N 427.998 4.746 30 10 IJEE Cc1oc(NC(=O)COC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)c(C#N)c1C 732680252 CGXDDFIBLNMXGU-UHFFFAOYSA-N 426.375 4.634 30 10 IJEE COc1ccccc1N=C1SCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741171963 DQBPURUVFVUMDI-CABCVRRESA-N 436.455 4.960 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2cccc(OC)c2)s1 745260690 FLQAUGOQHSBXTP-UHFFFAOYSA-N 438.509 4.871 30 10 IJEE CCS[C@@H](C)c1noc(CN(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 765797698 GCISYUXLGILVJG-AWEZNQCLSA-N 441.582 4.825 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2C(=O)OC(C)(C)C)ccc1OC 775361205 JASZXOZBHTZGKM-KRWDZBQOSA-N 439.512 4.653 30 10 IJEE C=CCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 779746879 JLONOVFNFKVZBR-IBGZPJMESA-N 443.956 4.503 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N\[C@@H](C)c1cccs1 790284686 FPYTWWSPEXGDIZ-CJCAPXLESA-N 443.594 4.810 30 10 IJEE CNc1ccc(C#N)cc1NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1 803311544 QFYGQFJKXFLCSQ-XMMPIXPASA-N 429.520 4.877 30 10 IJEE COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccccc2C#N)c1 863939613 FNKXNUFSRCCDFK-QGZVFWFLSA-N 442.471 4.504 30 10 IJEE COc1ccc(C(=NN(C)C)[C@@H](c2ccc(OC)cc2)[C@@H]2OC(=O)c3ccccc32)cc1 1088659291 MZHQVBWZGDKTKN-ILBGXUMGSA-N 430.504 4.665 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1156084144 JNLPTZCFEBEGBC-DQEYMECFSA-N 430.548 4.564 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncccc1OCc1ccccc1 1161358149 VXBWGEIOKFLTGX-IBGZPJMESA-N 425.529 4.849 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)c3ccc4ccccc4c3)n[nH]2)c1C 1170110903 BFYQPQUTJSMHIH-UHFFFAOYSA-N 427.552 4.937 30 10 IJEE N#Cc1ccc(N2CCN(Cc3cc(F)ccc3Oc3ccc(Cl)c(F)c3)CC2)nc1 1180378749 GFMRSKXKWNWGCZ-UHFFFAOYSA-N 440.881 4.999 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)cc1OC 1183663628 YVOMVLOBMHHYIA-SFHVURJKSA-N 443.849 4.936 30 10 IJEE CC(C)N(Cc1ccc(Br)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1190509852 HKHJLRWKMPZKDR-NRFANRHFSA-N 426.358 4.727 30 10 IJEE C#C[C@H](C)N(C)CC(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC 1193919835 FNLBWHAZXIONHV-LBPRGKRZSA-N 439.364 4.791 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc(CN2CCOC2=O)cc1 1206193924 ARUSTDGVVRTPEU-UHFFFAOYSA-N 446.301 4.610 30 10 IJEE CCS(=O)(=O)Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 1206396559 ATFVDLHBNHEECZ-UHFFFAOYSA-N 439.562 4.543 30 10 IJEE CC(C)(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1213387836 GDVBYOKCGIGADQ-INIZCTEOSA-N 433.371 4.734 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 1216884634 UMFBHONDNYLNOB-VWLOTQADSA-N 427.548 4.854 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1221032368 RHELZDNNIAYJNE-UNMCSNQZSA-N 445.563 4.904 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C)c1ccncc1 1222021629 MEMYYJAGJMFJPJ-HMXCVIKNSA-N 430.593 4.814 30 10 IJEE C#CC[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)C1 1222481543 MTJWOQUDFFJCIW-SBUREZEXSA-N 426.944 4.892 30 10 IJEE C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCCc2ccc(C#N)cc2)[C@@H]1C 1252977382 IDADPZQDBQLPDW-PWHSHALESA-N 433.552 4.866 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 1254091976 CJRDXHUBLKMIMY-HXUWFJFHSA-N 447.457 4.530 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1264591704 ICUFKIHXDWTEOK-CYFREDJKSA-N 429.589 4.714 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccco1 1286315870 PFURBHJZQWKMJE-KRWDZBQOSA-N 442.361 4.784 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(CCOC)Cc1ccc(C)o1 1286337375 GAOOAVNSFQYQAW-UHFFFAOYSA-N 443.551 4.770 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCc1ncc(CC)s1 1286458204 MODVWAPKVMFILM-UHFFFAOYSA-N 439.604 4.907 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C)CC1 1286497736 WXLISWDFJDWIFB-MRXNPFEDSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1csc(CC)n1 1286527172 CVPYNGPLSVKWLR-XMMPIXPASA-N 435.597 4.533 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(F)(F)F)CC1 1286587494 LJNXAIGVPICFOP-UHFFFAOYSA-N 439.551 4.536 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1286616647 AOXVQWDQCZUILO-UHFFFAOYSA-N 430.581 4.633 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(Br)s2)CC1 1286646821 WOHYTCVGQSAAIL-MRXNPFEDSA-N 437.407 4.743 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(C)C)C1)c1ccccc1 1286677961 NATZXRUKXFXIDU-GOTSBHOMSA-N 435.616 4.746 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1286678833 FQXULKLHFQCTNO-QHCPKHFHSA-N 447.583 4.535 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCCN(c2ncccc2F)CC1 1286690106 CXNSZILJIMPJKV-UHFFFAOYSA-N 440.592 4.538 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1C1CC1 1286728767 HEZBNELTVSSCLU-IBGZPJMESA-N 432.037 4.863 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccnc1OC)C1CC1 1286740099 XBIRGIVTHKBQLL-UHFFFAOYSA-N 441.988 4.831 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@@H](SC)C2)cc1 1286795462 BNVFILZOMIYXPG-IFMALSPDSA-N 442.629 4.507 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286795658 LJCACINZYHFFQD-QHCPKHFHSA-N 447.583 4.513 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1300338154 AEZNGMSOAVPDHP-MOPGFXCFSA-N 431.625 4.725 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1300365966 CJLGNLOHXMTREE-QFIPXVFZSA-N 447.652 4.926 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1ccccc1C 1300386173 MCSCQFQCALKMGX-UHFFFAOYSA-N 426.362 4.784 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)[C@H](C)CC 1300648639 GQSZAPQXEOPBKK-HOYKHHGWSA-N 440.588 4.506 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1300830331 FMNUWVULIBZYEV-INWMFGNUSA-N 425.396 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1nccs1 1300900203 ABYBXDMXMPFVSS-CYBMUJFWSA-N 435.395 4.698 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCO1 1300905808 WHCPAPRWCNFUSR-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC=CO2)CC1 1301114358 PYSSXKDXSPUZIM-KRWDZBQOSA-N 447.352 4.942 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC(N2CCCCC2)CC1)c1ccccc1 1301168000 JKLOACPTPZMUGZ-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1301173333 FXFYUJRUPAYRBV-DVECYGJZSA-N 442.007 4.987 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1301207383 VJAHMDJGCLSBSB-HNNXBMFYSA-N 442.361 4.789 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)s1 1301258619 WPIOKLMHMPUFBM-UHFFFAOYSA-N 441.439 4.920 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)CN1CCCCC1 1301278220 HXJBPBIQYICOAU-OALUTQOASA-N 427.662 4.876 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOCC(F)(F)C(F)F 1301280595 RIQFGCCKFLVGAB-UHFFFAOYSA-N 428.474 4.782 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(F)(F)F 1301294076 LXWFVYVEJAZBIN-HNNXBMFYSA-N 445.530 4.603 30 10 IJEE CCN(CC)[C@H](CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C)c1ccsc1 1309052623 CITBOKGWFVBTIW-GOSISDBHSA-N 433.624 4.504 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(F)c1F 1344097638 FMROZIKLJALVPP-GOSISDBHSA-N 445.491 4.597 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)sc2c1CC[C@@H](C)C2 1347864645 BAZPQGZSJJRXHY-SNVBAGLBSA-N 437.443 4.587 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@H](C)c2ccc(OC)cc2)c(C(=O)OCC)c1C 1349733858 LRJAODSVWVTUGH-AWEZNQCLSA-N 445.537 4.717 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccccc1C)c1ccc2c(c1)OCCO2 1351531275 IUMHVFGTKWIXHV-UHFFFAOYSA-N 445.515 4.943 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(Oc2cccc(Br)c2)nc1 1353667888 SATHUBLLPXNZHT-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(Br)ccc2F)CCCN1C(=O)OC(C)(C)C 1355163626 IOENBKIKYWYCMV-IBGZPJMESA-N 427.314 4.873 30 10 IJEE C=CC[C@]1(C(=O)NCC2(c3ccccc3OC)CCCC2)CCCN1C(=O)OC(C)(C)C 1356251323 CMALIDCIXXUSTM-AREMUKBSSA-N 442.600 4.969 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCCN(CCC)CCC 1359068118 OMUUAGMNKRNTKT-HHHXNRCGSA-N 444.627 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](COC)C1 1359090533 CMGZARVHGQQCIX-AZOUXBGGSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1359090562 CRGOVWBSUHIENR-NWSQWKLXSA-N 426.605 4.706 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC(C)C)CC1 1359092412 AQIQFWGXNYXZFE-KNQAVFIVSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1OC 1359102072 VZUWAOQEGCYJGA-NZQKXSOJSA-N 438.597 4.557 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[C@@H]2C)CC1 1359174744 NQAOQUXSYIJDDS-RDJZCZTQSA-N 432.410 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 1359190909 HSBJMDRIEUOCJE-UHFFFAOYSA-N 437.632 4.503 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359191867 OFOZMWYGSKRTIF-AZUAARDMSA-N 444.023 4.786 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(CC)C1)c1ccccc1 1359196100 XGNLNPLATBTDTP-ZEQKJWHPSA-N 448.615 4.505 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1359204369 MMLIRKPNABBMIZ-FQEVSTJZSA-N 425.621 4.947 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(OCc2ccccc2)c1 1359234967 IOGRINKAFRZEOS-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(OC)CCC1 1359244871 UDNIKMOJCRATCZ-UHFFFAOYSA-N 425.360 4.745 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1nnc(C)s1 1359276412 BVRRDRPHDXBECG-UHFFFAOYSA-N 440.960 4.635 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CCC1CC1 1359278607 AIVFWHQODBJWSQ-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCC1(F)CCC1 1359280261 KJKXUBJYLGYOJT-UHFFFAOYSA-N 437.357 4.629 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)CN2CCCCC2)C1 1359315586 XHVCVQZVQZXFNT-SIKLNZKXSA-N 444.023 4.502 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1ccc(F)cc1 1359477674 CRGWXMYOYRSANK-DEPWHIHDSA-N 427.568 4.735 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)C1CC1 1360466264 BIMFAZKOPPQSCR-ZSEKCTLFSA-N 429.977 4.713 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1434893288 CBNBGOGLEYKZIC-HXUWFJFHSA-N 447.457 4.676 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)c3cccc(OCc4ccccc4)c3)cc2C1=O 1458984098 YNYCPIOLNIGFSE-SFHVURJKSA-N 441.483 4.966 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cccc(C)c2Br)CCCN1C(=O)OC(C)(C)C 1459071264 ABYVYLPEDLGYIB-NRFANRHFSA-N 437.378 4.720 30 10 IJEE C#CCCCCCC(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1462971909 DTZXKWFGUIVSRZ-SFTDATJTSA-N 440.584 4.727 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1 1465529027 DNUXASZCVYITQP-ZVDOUQERSA-N 434.584 4.934 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C 1465545668 PKPLCXFMBXPSFK-UHFFFAOYSA-N 444.388 4.951 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C 1466355925 LFLCVUHCGKIBJN-SFHVURJKSA-N 431.533 4.897 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 1470229017 HWGPDOHJCRUWNM-SANMLTNESA-N 443.978 4.938 30 10 IJEE CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1473396928 FUGGXMIXLSYJAB-YADHBBJMSA-N 440.613 4.567 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 1476355777 YMTGMVPNSRHAQV-UHFFFAOYSA-N 437.341 4.919 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@]1(CO)c1ccccc1 1476728731 BMLIDWJWSZPSEG-OAQYLSRUSA-N 431.330 4.529 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CCCCC3)cc21 1477135846 OJIHZAHYCQSDEI-HXUWFJFHSA-N 441.576 4.817 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)C1 1507595608 SWPKQZWOLGZKQL-CQSZACIVSA-N 425.385 4.519 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1csc(C)c1 1507707780 ZZPCWSSNBQGLAV-UHFFFAOYSA-N 440.638 4.780 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1507780403 BIKUEGADHIUMMI-QAPCUYQASA-N 445.386 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)CC1CC1 1507800265 ZNELTORIAVHLMW-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1507837851 GMCNQYBXMMOSQE-SFHVURJKSA-N 448.970 4.583 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1507846611 QXSFFAMUKLQAKT-UHFFFAOYSA-N 436.581 4.522 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC(C)(C)[C@@H]1C 1507944448 RLOQUDKAAMLJOF-AWEZNQCLSA-N 437.357 4.817 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2)CC1 1507944894 WVHZPRCQNLYQCX-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C)C(C)C 1508010987 JLNDNJHYJXWHBE-MQSCRBSSSA-N 437.607 4.875 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCS[C@@H](C)[C@H]1C 1508108884 NBCZAGDVQBHPJI-MSOLQXFVSA-N 440.638 4.874 30 10 IJEE CC(C)(O)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1508733707 ACFAUIYTLDYNHE-NRFANRHFSA-N 434.009 4.515 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1coc(-c2cccs2)n1 1509296934 FSMXSBJSHLVZNW-UHFFFAOYSA-N 447.568 4.871 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)C1=O 1519602679 IPSIZSRMRLATRO-UXHICEINSA-N 432.948 4.558 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1OCc1ccc(Br)cc1 1519750462 SIITUTXHXQBEGX-UWJYYQICSA-N 430.342 4.739 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)CCCN1C(=O)OC(C)(C)C 1527381923 XACYAAZLKLJIFD-RXFWQSSRSA-N 439.600 4.793 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 1528415596 GRXVWMMVHVEWTN-INIZCTEOSA-N 443.341 4.622 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Oc1cccc(C(=O)N2CCc3ccccc3C2)c1 1529301479 IDUMXKNYDUCOHK-UHFFFAOYSA-N 443.499 4.678 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 1529485746 NOBMMVRIKYFMNR-LLVKDONJSA-N 434.231 4.579 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(I)cc(Br)c1C 1529650035 BNWAQUSUDQAQLK-BETUJISGSA-N 446.126 4.685 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 1532640962 PTTNREGZMVKRIA-GOSISDBHSA-N 435.347 4.616 30 10 IJEE C=C/C=C/CCNC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 1533948139 IMTHOOLOZBPILG-AATRIKPKSA-N 430.957 4.583 30 10 IJEE C#CCN(CC1CC1)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1534108162 CKMFLFUTQDFMCZ-UHFFFAOYSA-N 448.950 4.715 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(COc2ccccc2F)on1 1537041790 FDVKDHAMQDBHJV-AWEZNQCLSA-N 447.388 4.966 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1OC 1538828430 CSQHYDOGFUELGU-QKYXPGDISA-N 447.362 4.975 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCN1CCC 1539153856 JRPWQOJWMVQWMX-INIZCTEOSA-N 428.005 4.757 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(Cl)s1 1539320114 OIZYYUBGQQEKEE-UHFFFAOYSA-N 431.952 4.719 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1Cc1cccs1 1539787526 OYVWLUQIFCPKGJ-MRXNPFEDSA-N 444.988 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1539928726 GNEIABONCOIZDL-ROUUACIJSA-N 433.641 4.917 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1CN(C)C(C)C 1540091860 AYPZYBNLSHRFDR-DHIUTWEWSA-N 439.648 4.707 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](N2CCCC2)C1 1540912030 KLUXGZBEARTAAF-GOSISDBHSA-N 432.037 4.582 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4cccc(Cl)c4)CCCC3)n[nH]2)c1C 1543835435 QWMUZQGJWZQAHH-UHFFFAOYSA-N 437.975 4.971 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1)OC 1545302546 DRDJCPIEFRHZCO-PXRUNISOSA-N 439.604 4.805 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cscc1Br 1559347121 MZQUPZCKILEAHB-UHFFFAOYSA-N 427.437 4.609 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccccc1SC(F)(F)F 1562002704 HRECHIMJEPYZLB-UHFFFAOYSA-N 440.390 4.667 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](CCOC)c1cccc(C(F)(F)F)c1 1564756595 WSJBDELACJKNTG-HXUWFJFHSA-N 440.462 4.656 30 10 IJEE C#C[C@H](CCC)NC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1568601822 IXACYGPSQZQPRX-HXUWFJFHSA-N 430.548 4.566 30 10 IJEE CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2-n2cnc(C#N)n2)c(C(C)(C)C)c1 1583136923 HUXYRYISHDHPSS-UHFFFAOYSA-N 431.540 4.751 30 10 IJEE CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCCC[C@H]1c1ccccc1 1583894579 FAWSSUOHVHECPA-FXAWDEMLSA-N 427.342 4.884 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(Br)cc(OC)c2)CCCN1C(=O)OC(C)(C)C 1583978683 ILTRBWDBXRNHGE-FQEVSTJZSA-N 439.350 4.742 30 10 IJEE C#CC[C@@]1(C(=O)N2C[C@H](C(C)C)Cc3cc(OC)ccc32)CCCN1C(=O)OC(C)(C)C 1584277916 UPFNZXSFGRPNHS-IBVKSMDESA-N 440.584 4.650 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1585562344 WXUTUQQCECNTEV-AWEZNQCLSA-N 432.860 4.664 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1OC 1586569266 ZCFIZUMDAPSBGY-UXBLZVDNSA-N 425.435 4.591 30 10 IJEE C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)c2N1 1586723573 DLWVYVATXHPSRR-SJKOYZFVSA-N 442.401 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1587657120 PFBBMVVBITWZOR-QGZVFWFLSA-N 447.539 4.763 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1587723324 IRSAWXGPGSOEPL-IAGOWNOFSA-N 433.383 4.918 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccccc1Cl 1587932585 WJHVQPPDLOUAFF-INIZCTEOSA-N 441.000 4.933 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1589287488 AFTPEQIZKLIKIK-KSSFIOAISA-N 446.393 4.681 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCCSC 1589383428 UDHFWIBNIIKBKL-UHFFFAOYSA-N 448.390 4.698 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NC(C)C 1589608700 LZXJKPNRNADSFE-UHFFFAOYSA-N 429.634 4.593 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(Br)C1 1589701327 XUVLLCIXNOFHLZ-UHFFFAOYSA-N 444.377 4.602 30 10 IJEE C=C(C)Cn1c(N(C)C[C@H](C)c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593678099 WNDIWQISWKOFCZ-SESVDKBCSA-N 439.604 4.865 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cc(C(C)(C)C)no2)CC1 1594430842 QOJRWSUCFXVBSF-UHFFFAOYSA-N 435.572 4.902 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(OC[C@H]2CCCCO2)CC1)c1ccccc1 1594552234 JRXPHYFJVDGBSE-ISKFKSNPSA-N 438.616 4.755 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC[C@@H]1CCO[C@@H](C)C1 1595070748 LAERBORIWGFDHU-VQTJNVASSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H](C)C1 1595093551 FTGVBYSRZWLUMN-FQEVSTJZSA-N 444.583 4.643 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCC[C@]2(C1)OCc1ccccc12)C(C)C 1595171094 QADXSLMLYYSLBR-RPLLCQBOSA-N 449.643 4.565 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl 1595452169 WLOOGJWIRFXTPL-BBATYDOGSA-N 431.813 4.915 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CCC)C1 1595664284 AEUAIXDTDGVOBZ-NRFANRHFSA-N 438.597 4.549 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1595890356 QXAPXYOBECIUSB-UHFFFAOYSA-N 443.979 4.538 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4ccc(C(F)(F)F)cc4)CC3)n[nH]2)c1C 1616450395 AXSSVZYBBZIMSP-UHFFFAOYSA-N 443.473 4.556 30 10 IJEE CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1cccc(F)c1C#N 1621657567 ATSVEFRCKLVSCE-ZDUSSCGKSA-N 425.323 4.622 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1 1625105199 QPQLKFQMJHZKCP-QGZVFWFLSA-N 429.705 4.784 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1OCc1ccccc1 1626069274 XQVALZSHSVTZLQ-SFHVURJKSA-N 431.920 4.635 30 10 IJEE C=C[C@@H](C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1626096656 NKWHRWNAYDADJJ-RHSMWYFYSA-N 428.248 4.587 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCC(=O)Nc1c(F)cccc1F 1626172824 ZUBCLAPYPJFRGR-UHFFFAOYSA-N 439.256 4.650 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1631513404 DRRGMIMFODCSJV-HNNXBMFYSA-N 440.487 4.981 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 1634866925 RDTCPYRBUMNTFE-NRFANRHFSA-N 445.991 4.789 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21)C(C)C 1635870024 SSGXQTKZNSVEBB-YKSBVNFPSA-N 443.547 4.618 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(OC)c(Cl)cc3C3CC3)ccc2c1=O 1640502188 YBCJSHOHZAUOJC-UHFFFAOYSA-N 441.940 4.663 30 10 IJEE C=C(C)CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1cnn(C(C)C)c1 1643063572 GYFVSBYOZIWWON-UHFFFAOYSA-N 427.549 4.743 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=[S@](=O)(CC)c1cccc(Cl)c1 1647901568 PUKHCJRJRUNFHW-HPGBDJQBSA-N 428.982 4.963 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN=S2(=O)CCCC2)c1 1650692514 GJOVQHFTYDELLR-HXUWFJFHSA-N 449.617 4.637 30 10 IJEE C=CCn1c(SCc2nnc(-c3cccc(OC)c3)o2)nc2cc(Cl)ccc2c1=O 1651552635 MKGKVJJNYIEVIG-UHFFFAOYSA-N 440.912 4.587 30 10 IJEE C=CCN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1cc(Br)ccc1F 1651725892 ISLBDFYDTITPBH-UHFFFAOYSA-N 433.365 4.738 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1ccc(F)cc1 1652407083 JLBZYLOGDHCNRQ-QHCPKHFHSA-N 449.913 4.885 30 10 IJEE C=CCn1c(SCc2c(Cl)cccc2C(=O)OC)nc2sc3c(c2c1=O)CCC3 1652447671 QUKUWXDNOHSLHK-UHFFFAOYSA-N 446.981 4.865 30 10 IJEE COc1ccc(COc2cc(C#N)ccc2Br)c(Br)c1OC 1653011434 GDIVHHCLHORWSR-UHFFFAOYSA-N 427.092 4.679 30 10 IJEE C=CCC[C@@H]1CCCN1Cc1nc(O)c2cc(Br)cc(Br)c2n1 1655794128 IMIIYAKQBNZOKO-GFCCVEGCSA-N 441.167 4.791 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)C(=O)OC 1656072076 MCNZYNHTOLMUAR-OAHLLOKOSA-N 446.981 4.799 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@]3(C)COC(=O)N3)c2)cc1OC 1656861794 XPIJGRHAQYDRLC-NRFANRHFSA-N 447.329 4.590 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1 1664087808 XWMBLYVBISLUPU-KKSFZXQISA-N 439.499 4.975 30 10 IJEE C=CCCCCCN(C)S(=O)(=O)c1cc(Br)c(C)cc1Br 1667423877 SBEUKGMZRZIUDF-UHFFFAOYSA-N 439.213 4.887 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Nc2sccc2C#N)C1 1673282450 GLWMFVAHYGIHJV-QZTJIDSGSA-N 444.532 4.674 30 10 IJEE C=CCCC(C)(C)CNC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1673996057 BOVLQLHFYJHABV-QFBILLFUSA-N 425.976 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 1680700841 TZVTVSREYHMVHQ-NQIIRXRSSA-N 440.415 4.582 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(F)cc1Br)c1ccc(Br)cc1 1681606187 JOFQMDMLMJAAPC-MRXNPFEDSA-N 440.110 4.524 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1684424940 HXOQJRZTMWVWLR-KRWDZBQOSA-N 449.320 4.560 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)cc1 1686525355 IKIBFDBSKFGKNW-UHFFFAOYSA-N 438.531 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(O)CCCC1(C)C 1689831566 MXPMKHDWZDCRLN-WINIVTDRSA-N 445.611 4.752 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1689900134 BNOFEAYSHQDEQY-DEOSSOPVSA-N 430.600 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1690244360 WOVXOTWUTBTGMM-JLHGSKIFSA-N 439.510 4.797 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@H](C)C1 1690250599 JIRPBBBFQJKONF-HOKHCIIBSA-N 438.616 4.680 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1690309556 DDULIUAGEMCKLI-CYFREDJKSA-N 447.583 4.837 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2ccco2)C1 1690319020 AEBWGJGKNZJQMR-NRFANRHFSA-N 436.556 4.654 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690422373 MZXARWIJHJRKKD-NRFANRHFSA-N 433.556 4.609 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1690428577 UYIXTWUXSRIEHF-HXUWFJFHSA-N 438.963 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1690434909 LEYBSVPULKYDMI-SFTDATJTSA-N 430.543 4.897 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1690455136 DKKMLAJZCLDJGP-VWLOTQADSA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1690488645 REBMMPALWNSSJW-QFIPXVFZSA-N 436.648 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)NC(=O)OC(C)(C)C 1690590098 NDQVSKBQCDTQBP-GOSISDBHSA-N 448.571 4.585 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1690604498 VPZWONJVKPIVKH-GOSISDBHSA-N 445.608 4.565 30 10 IJEE C=CCSCCn1c(N(C)[C@H]2CCCN(Cc3ccccc3)C2)nnc1C(C)(C)C 1690750489 LMKPDBKISZMJMQ-NRFANRHFSA-N 427.662 4.596 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCC1(C)C 1698058257 CZWXJHHDELTRIE-FQEVSTJZSA-N 446.599 4.995 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1705478371 AJFXHQWKWRZVLH-ZLNRFVROSA-N 447.671 4.963 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1c(C)noc1C 1705542358 DRNLBHUNQCZHAI-WMLDXEAASA-N 427.936 4.549 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1ncc(CC)s1 1705547082 QTMWQGSPMWMMSS-UHFFFAOYSA-N 448.621 4.708 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCCN1CCC(C)CC1 1705619097 HLHUSCMJEPBKCU-NRFANRHFSA-N 425.596 4.693 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCCc1nc2ccccc2[nH]1 1705718304 IAFHMZNWQWLSLC-UHFFFAOYSA-N 435.601 4.545 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1705722930 PGYKBRVOORRDFB-PKOBYXMFSA-N 426.561 4.706 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 1705796766 JXCIILYHLDBFDJ-UNMCSNQZSA-N 437.632 4.579 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705806514 GKIRTELUDMPZGJ-SLFFLAALSA-N 443.636 4.841 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1705819424 LCFNWUSHWDFKRU-NRFANRHFSA-N 438.620 4.789 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1Cc1cccs1 1705827392 CSCUSASOOBRBBA-NRFANRHFSA-N 433.581 4.682 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](CC)N1CCCC1 1705835415 JZGWNFOUPBZKNK-FQEVSTJZSA-N 436.629 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)c1c(C)noc1C 1705838490 QWPWLVOVHDXRNX-GFCCVEGCSA-N 448.340 4.877 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCCC1(C)C 1705869730 CCBWUFNLXGMPJG-KOSHJBKYSA-N 428.552 4.677 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1705887235 UXPOAGZINAFOSM-ZWOKBUDYSA-N 430.980 4.878 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)C1 1705926365 CBMQJXRZAXMVBC-QNWVGRARSA-N 443.680 4.549 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1722304450 XPDZPVHFFVFPGD-ZWKOTPCHSA-N 432.515 4.539 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCC(C)(C)C1CC1 1722421554 IKJIKWMNKXNDSY-UHFFFAOYSA-N 431.559 4.869 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC(F)(F)CO1 1722469549 ICEQGJPIQICNIT-WMZHIEFXSA-N 428.527 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(Cl)nc1 1722476156 NLLAGBLGOPIUAR-XMMPIXPASA-N 435.959 4.563 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1722527343 GTSFBLDBVQALLG-OALUTQOASA-N 447.574 4.546 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722583133 MJUGNFRTMVKYDQ-QRVBRYPASA-N 431.625 4.697 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1ccco1)N(C)C)C1CC1 1722645985 FCVCYBYEECNXKS-LJQANCHMSA-N 441.963 4.658 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CC(F)(F)CO1 1722675904 SJQNUYTUTXQKAO-LJQANCHMSA-N 448.901 4.851 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722736303 YBOQOTJPILXEIR-QGZVFWFLSA-N 440.535 4.720 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722742974 MGACRWCKFCJMMV-FQEVSTJZSA-N 448.583 4.956 30 10 IJEE CO[C@@](C)(Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)CC#N)C1CC1 1729820271 HSLAKFGWOGZVEZ-CJAUYULYSA-N 439.604 4.708 30 10 IJEE CSC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H](C)C#N)CCC1 1731055804 DQCZSBUXQZJGNT-HZPDHXFCSA-N 434.009 4.953 30 10 IJEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1740692137 FKUARYRLNPYRBP-GOSISDBHSA-N 447.961 4.569 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCOC(C)(C)[C@@H]1C 1740754882 WOTSPFKHPVVOOC-MALNDZBISA-N 438.616 4.805 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC=C(C)CC1 1740755323 JRGOEWOEGFHTLA-LAUBAEHRSA-N 428.964 4.745 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1740774860 CZAMNXUDWYIMPS-LJQANCHMSA-N 425.621 4.846 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740843873 RXJFZEPQTOAEMZ-UWVAXJGDSA-N 432.996 4.881 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccsc2)CC1 1740851280 ZOSUVRADNNABDF-UHFFFAOYSA-N 441.670 4.916 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740858230 LYTBIFYLNROZPA-FCHUYYIVSA-N 444.645 4.580 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CCCC(C)C 1740922181 XJZVQGFPNVDSLB-UHFFFAOYSA-N 427.574 4.696 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ccccc2C(C)C)C1 1740980612 QOIGSIOPETZZBR-NFBKMPQASA-N 440.588 4.503 30 10 IJEE Cc1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCC#N)CC2CC2)c1 1742345340 DPCGCKVCEWJXSS-UHFFFAOYSA-N 439.361 4.523 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(CC)CCC(F)(F)F 1748654479 IQIRKVMKVVIDQP-SFHVURJKSA-N 449.565 4.975 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1748740127 LRDJBUMXLZKPSI-IBGZPJMESA-N 440.588 4.550 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(Cc1ccco1)C(C)C 1749091754 GESINIAWFPZFNG-UHFFFAOYSA-N 431.334 4.870 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)=C(C)C1 1749133987 SPKUFICNRJADFU-FDDCHVKYSA-N 428.527 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CC1(N2CCOCC2)CCCCC1 1749150121 MFIGECHJZSORFD-UHFFFAOYSA-N 441.595 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)N1CCCCC1 1749155937 NEQSURJAGRDIEN-RBBKRZOGSA-N 427.593 4.742 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1749175228 AGCFIRBWPNWIOR-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749280267 FWAKOJCJKJCEOW-HXUWFJFHSA-N 440.979 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749368844 RLBACIYGBZCYFP-UHFFFAOYSA-N 430.666 4.869 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C)(C)CC1 1749391003 NTXZQZXBWIHKME-UHFFFAOYSA-N 428.577 4.954 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1749393070 JEDQQYMGOJAWQC-HSZRJFAPSA-N 428.602 4.652 30 10 IJEE COCC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1749416652 CLGWLMFPQWGFDZ-SFHVURJKSA-N 429.996 4.715 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC#N)CC1 1749444722 DDSFJFLCRADJBN-UHFFFAOYSA-N 430.556 4.525 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@H]1C(C)C 1749501539 BQQQDAKVUBADBK-QRWLVFNGSA-N 439.387 4.847 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H](C)c1nccs1 1749541153 JDRJUBFBYBRRRG-QGZVFWFLSA-N 436.560 4.876 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)C1)C(C)C 1749558881 ZEIBZVGUQJQFBL-ICSRJNTNSA-N 429.012 4.538 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCCCC1)C1CC1 1750789655 HXLLRQCESFQUFZ-OAQYLSRUSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(NC(C)=O)cc1 1760103578 IGAFMQICPWNAKG-SJORKVTESA-N 447.608 4.596 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC2(CCC)CCC2)c1 1760125809 MCVYWZZIIVKJET-UHFFFAOYSA-N 445.567 4.873 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1760136962 MLKSIACRGOEHCC-RTWAWAEBSA-N 446.954 4.694 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@H](C)C1CCC1 1760161860 MUONVNLGHGXWNP-TZIWHRDSSA-N 443.636 4.821 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C(CC)CC)N(C)C 1760173076 JALYQXGGLVWLEJ-FQEVSTJZSA-N 427.662 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cscc1C 1760214534 SNLOGMHCFUMNSR-UHFFFAOYSA-N 448.592 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1csc(C)n1 1760289219 MWBFHPWWOKIYKA-WAIKUNEKSA-N 439.560 4.557 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC=C(C)C1 1760302703 MQTMLESSVUIHPV-UHFFFAOYSA-N 447.377 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCSC 1760330794 MRYQYEYVIUQUNX-UHFFFAOYSA-N 439.423 4.872 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@H]1C 1760352743 XFUYOLSPEWSONV-LEWJYISDSA-N 442.604 4.631 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1760381625 SVMKQZCFWQEKNA-PXDATVDWSA-N 437.588 4.651 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCOC(C)(C)C 1760413069 XOAAISPRQUPADW-FQEVSTJZSA-N 428.577 4.644 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1760423278 VAQDBKUYFDTYIY-FQEVSTJZSA-N 426.483 4.733 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](c1ccco1)N(C)C 1760455684 WHIZLSBRDOZTMU-QHCPKHFHSA-N 444.583 4.871 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1760568068 WZONIJNTIUOSHB-FQEVSTJZSA-N 439.654 4.855 30 10 IJEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(C)(C)C)cs1 1768712257 CAHTWOCBJOHCDB-UHFFFAOYSA-N 432.553 4.848 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccccc1 1861140725 DDOQLZRVFICTJB-RUZDIDTESA-N 433.596 4.915 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccc(Cl)c2)cc1 1862391803 IRTCIDKEPGUQCO-QVKFZJNVSA-N 427.928 4.642 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2)cc1C 1862401414 AHTNGYYSMJNWCI-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2c(Cl)cccc2Cl)c1 1862498792 QWDIZYOGZINSIF-FQEVSTJZSA-N 447.362 4.750 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2F)ccc1F 1862503182 SBMJTSNCLQEURH-NRFANRHFSA-N 438.405 4.586 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 1862548833 ALJPBMNXNWTBIH-MZNJEOGPSA-N 447.575 4.822 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591770 NIHXEQYTKZFBAZ-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862633508 LSWULMPHEAZPOZ-OYHNWAKOSA-N 437.492 4.581 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccc(O)cc2)c1 1862703318 UKAZNWTVDWGWLB-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1862795433 DNSZKQYJAHSAAG-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccc4ccccc34)C2=O)c1 1862850044 JSTPXSDSXRLKEG-UHFFFAOYSA-N 440.462 4.980 30 10 IJEE COc1ccc(C)cc1NC1=C(c2cc(C)ccc2C)C(=O)N(c2ccccc2C#N)C1=O 1863036709 BERBFRMEGGILGP-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868378924 XDHCRZGZQLQQIF-JOCHJYFZSA-N 430.531 4.677 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C 1868839243 KSGRZIXQVUMURQ-DHIUTWEWSA-N 430.658 4.988 30 10 IJEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(OCC)c(OCC)c2)CC1 1870153998 KIIVONDXHZBGQV-UHFFFAOYSA-N 439.560 4.871 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1CCCOCC 1870406458 SJDPJILEHIGIFM-UHFFFAOYSA-N 430.976 4.681 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CCCOC(C)C 1870625314 YVQMOFWQDHHNSC-UHFFFAOYSA-N 428.548 4.556 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C)cc1 1871042475 QHQZRYFPDGPMQJ-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CNc1cccc(F)c1 1871185839 XLOGTAWWNSXGCN-UHFFFAOYSA-N 449.526 4.728 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871366924 SYTDPOSBGVYCKN-XKZIYDEJSA-N 434.444 4.896 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)c3C)C2=O)o1 1871382261 QFEQQNGXYMSMCS-HTMSNVIRSA-N 430.412 4.830 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 1871414738 MPYVTNZSQLFQNP-MYYYXRDXSA-N 448.471 4.786 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c1 1871426772 YHLBMXFIPHRIOC-ICODJCHTSA-N 442.471 4.615 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc(NC(=O)C2CC2)cc1 1871445495 BUGAICXPRQVYAV-QRVIBDJDSA-N 445.496 4.975 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)C1CC1 1871843507 DWPACBISOPSPGA-QHCPKHFHSA-N 426.582 4.860 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872133311 BNSFNJOWPMMLQS-LJQANCHMSA-N 441.380 4.978 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872168711 MGWQZVVSXQVYOX-HXUWFJFHSA-N 444.597 4.686 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c(OC)c1OC 1872787910 AUUDMLWORVFVDB-HNNXBMFYSA-N 444.459 4.533 30 10 IJEE COc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc3cc[nH]c3c2)cc1 1873503554 OYHNQTUIGOEOCQ-DHRITJCHSA-N 448.552 4.504 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2[C@H]2CCCO2)ccc1OCc1cccc(Cl)c1 1873504806 MMNNEOXPCOEIBL-BYWZACNXSA-N 444.944 4.542 30 10 IJEE CC(C)(C)n1ncc(N/N=C/c2cccc(OCc3ccc(F)cc3)c2)c(Cl)c1=O 1873526476 HLAGOSMRSLSZLC-BRJLIKDPSA-N 428.895 4.816 30 10 IJEE O=c1c(Cl)c(N/N=C/c2c(O)ccc3ccccc23)cnn1-c1ccc(Cl)cc1 1873526495 INQBKFZDCZEETM-BHGWPJFGSA-N 425.275 4.844 30 10 IJEE CCCOc1c(/C=N/Nc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cccc1OC 1873526828 YOHJODHFYFSVEF-WYMPLXKRSA-N 447.322 4.783 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccc(C(=O)O)cc1 1874225851 GFHPRYBGUHEZMR-BUVRLJJBSA-N 438.553 4.599 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874246138 OPFOWYIAUYSXDE-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccc(OC)c1O 1874270356 RSJIELXGYIOACM-PCLIKHOPSA-N 430.533 4.897 30 10 IJEE CCCCOc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SC)cc1OC 1874352540 PAUIJOYHWJBZCC-BUVRLJJBSA-N 440.569 4.787 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2C)c1 1874459558 UCHVYWOREMROKI-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(C)cc1 1874487210 FUTOSYFMRGFTBO-MFKUBSTISA-N 435.597 4.960 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccc(F)c2)c(C)c1 1874498576 PODAHZJEXSNCEW-DHRITJCHSA-N 437.544 4.915 30 10 IJEE C=CCSc1nnc(CCC)n1/N=C/c1cc(Br)c(OCC)c(OC)c1 1874507978 GJCFQFHLINVYCY-UDWIEESQSA-N 439.379 4.561 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C(C)C)cc1 1874512047 JIRIRRJUDIHZOK-ZVHZXABRSA-N 437.569 4.722 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccccc1Cl 1874515407 WSJZHCPNRKRWHH-FOKLQQMPSA-N 438.944 4.878 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1ccccc1Cl)Nc1ccc(F)cc1 1874516083 FNSGDXYOUPPZOM-FOKLQQMPSA-N 429.908 4.561 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 1875113895 DDCWPFPUMAUGAI-WLRTZDKTSA-N 447.443 4.656 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc([N+](=O)[O-])c1OC(=O)C1CC1 1875167194 UACJYESHRAMVEB-UXBLZVDNSA-N 439.464 4.830 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2cccc(-n3ccc4ccccc43)c2)CC1 1891418063 BSQSGPZAYURCLH-UHFFFAOYSA-N 435.531 4.638 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CCC1 1987026009 VVYSMPJOWAIRCB-ATANMQQVSA-N 444.575 4.858 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 2038676440 HAJYDQKDUNLEHM-AREMUKBSSA-N 439.600 4.884 30 10 IJEE C=CCC1([C@@H](N)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2047971773 WQSGRJVAHJRWJK-HNNXBMFYSA-N 429.786 4.786 30 10 IJEE Cc1cc(Br)cc(Br)c1OCc1nc2ccccc2n1CC#N 2060446789 QYQXZHWOKXEZHE-UHFFFAOYSA-N 435.119 4.972 30 10 IJEE N#Cc1c(C2CCCC2)nn(Cc2c(F)cccc2I)c1Cl 2080379791 INOWKBIZBDTZJG-UHFFFAOYSA-N 429.664 4.858 30 10 IJEE C=CCN(CC[C@@H](Cc1cc(Br)ccc1F)NCC)C(=O)OC(C)(C)C 2099289427 ZBVUSCVYJLJCSV-KRWDZBQOSA-N 429.374 4.922 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)c(F)c1 2142155817 LTWPGBBQLKXOMM-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(Br)cc2C#N)CCCCC1 2181132391 GNULUWKDZNHFLP-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE N#Cc1cc(F)c(Cl)cc1NC1CC2(C1)[C@H](NC(=O)OCc1ccccc1)C2(F)F 2207112658 AMWAEFDQNODTQD-JMARDNNUSA-N 435.833 4.855 30 10 IJEE C=CCC[C@H](N)C(=O)c1sc(Br)c(Br)c1Br 2212188746 DMOWXSGOZUTBOX-YFKPBYRVSA-N 431.975 4.512 30 10 IJEE CCCN[C@@H](C#CC(C)(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2213312701 CGKGGDIVAATPMI-BKMJKUGQSA-N 427.633 4.574 30 10 IJEE CC1(C)OB(c2cccnc2Nc2cc(F)c(Br)c(Cl)c2)OC1(C)C 2232329068 VTQONLBMZXCBFS-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2235747537 QSQYEDYLMUJTCX-NZSAHSFTSA-N 435.406 4.862 30 10 IJEE C=C(C[C@@H](NCCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)OC 2237415142 NUZWGFACNHBDLS-RTBURBONSA-N 441.410 4.803 30 10 IJEE CC1(NC(=O)OCc2ccccc2)CCC(N)(C#Cc2ccccc2Br)CC1 2258960411 FZDFMRKYHIJJJI-UHFFFAOYSA-N 441.369 4.757 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](Nc2c(Br)cccc2C#N)(C(F)(F)F)C1 2269739828 XWYKIBQERXFUGZ-MRXNPFEDSA-N 434.256 4.675 30 10 IJEE CC(C)[C@H]1[C@H](C(=O)Nc2cc(Br)ccc2C#N)CCN1C(=O)OC(C)(C)C 2279331203 OGEAWAHZYUHKBV-WBVHZDCISA-N 436.350 4.541 30 10 IJEE CC1(C)OB(c2cnc(NCc3cc(Br)ccc3Cl)c(F)c2)OC1(C)C 2284364846 ZKMZPPZHRGYGTE-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296276701 KVEVDEOCLGEQLJ-SLFFLAALSA-N 436.390 4.691 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2296309119 QSROTKREXVVBRH-RTBURBONSA-N 435.406 4.672 30 10 IJEE O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 2296605677 OONJKHBSUSWLEK-UHFFFAOYSA-N 449.304 4.812 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2296926567 UQLQICAJUHQNDN-HSZRJFAPSA-N 442.471 4.568 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 2314524271 IIYWFJCUVHOFSP-VWLOTQADSA-N 432.564 4.740 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)cc1F 2323202012 SGJTYMQIJYMGAR-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3C2=O)o1 2323302391 YCPGLTSRMHMGDJ-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(CC)cc2)cc(Br)c1OCC(=O)OC 2323481610 FDVWVURLSQCMKB-UHFFFAOYSA-N 447.325 4.858 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)C(=O)O 2324777900 CGCMSEOXDHEGAU-GOSISDBHSA-N 444.867 4.845 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccccc1F)C2=O 2324972521 YCQQJPHHTGOBRK-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE COc1cc(C=Nn2c(CCCOc3ccc4ccccc4c3)nnc2SC)ccc1O 2325882582 YAPNFMWOYAVJLZ-UHFFFAOYSA-N 448.548 4.761 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cc(C)ccc1O 2326681569 CGDRFAJFZRHSKN-UHFFFAOYSA-N 438.553 4.820 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2327757873 APOLJCRIHAHTEZ-YGKRLXNZSA-N 442.600 4.992 30 10 IJEE CCCOc1ccccc1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SCCC 2328507818 RZSFBVZGCJTEME-UHFFFAOYSA-N 439.541 4.950 30 10 IJEE CCSc1nnc(COCc2ccccc2)n1N=Cc1cccc(Br)c1 2329335691 MUBHINYKOBQAEY-UHFFFAOYSA-N 431.359 4.752 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1sccc1C 2329523158 OCXSGWWSNVZYPX-UHFFFAOYSA-N 448.017 4.811 30 10 IJEE CCC(=NOCc1ccc(Br)cc1F)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 2330272800 PSIWIPGMSRYIDL-GFCCVEGCSA-N 435.293 4.663 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(C(C)C)cc1 2331649090 YYCIQGZKKZEOTH-UHFFFAOYSA-N 426.542 4.908 30 10 IJEE CCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331653905 GKTJAFIYHXNWEX-UHFFFAOYSA-N 441.645 4.951 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc2c(c1)OCCO2 2331661549 DVNVPELBVJMXKQ-UHFFFAOYSA-N 428.945 4.830 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2Cl)cc1 2331687225 XWTGVUIFSNMZNM-UHFFFAOYSA-N 427.961 4.976 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339588105 DAJJDIPPNQENHQ-XUDAUXSOSA-N 443.397 4.928 30 10 IJEE CC1(C)C[C@@](Nc2ccc(Br)c(C#N)c2)(C(=O)O)[C@H]1OCc1ccccc1 2378357447 SMLBCTNQRKJVBA-RXVVDRJESA-N 429.314 4.571 30 10 IJEE COC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccc(O)c(OC)c2)C1=O 9721132 UOYZDRIILJCQGE-MOSHPQCFSA-N 433.485 4.708 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 34934714 PDRDGOMUUIXWHV-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)c1 34953930 RFYCYFZFMBDYFE-XMMPIXPASA-N 441.531 4.543 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)cc1OC 41430616 CZJOKWYPVMJHBF-JJFYIABZSA-N 434.419 4.987 30 10 IJEE O=C1/C(=N\Nc2ccc(F)cc2)c2cc(Br)ccc2N1CCc1ccccc1 59166789 MAAZPNAOFYPWBU-QLYXXIJNSA-N 438.300 4.994 30 10 IJEE CCN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 59446608 WPVKZLDZVVHSAA-INIZCTEOSA-N 440.327 4.795 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)c(C)c1 102735910 RUIAUKSAMPMNPW-VFJWVMJUSA-N 448.906 4.674 30 10 IJEE CCOc1ccccc1-c1csc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)n1 111198194 TYANAQAZJHGPAU-UHFFFAOYSA-N 448.548 4.874 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925563 KKOMKKXSPCTSBH-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC(C)C)cc1 169928088 OKSXZTPNVJDGFS-QHCPKHFHSA-N 449.503 4.835 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)c1 169952994 ACYDFFWMWDPBGA-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)cc1 169968012 WSULPNBASUQHTA-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccnc2)cc1Cl 170009123 KSTHEUWIGMGVPL-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cccc2ccccc12 170046266 GNQXQBLFCBYXBK-QHCPKHFHSA-N 449.478 4.602 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2)cc1 170054270 GRAYPLMGXUKDHG-NRFANRHFSA-N 448.544 4.590 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 170081559 OSTNJBXOBAPFDY-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2C)cc1 170088956 PODUZBWNNXZPTP-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccco2)cc1 170095126 XNIXMNCSDPIYRN-HSZRJFAPSA-N 445.471 4.785 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2OC)cc1C 170126139 UQXGGUKFDFJKBJ-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccc(O)cc3)oc12 170132886 CVJUAOKOCADQDB-JOCHJYFZSA-N 441.439 4.930 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)cc1Cl 170184091 MFRBZOFRCJXZHQ-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1 170231328 WLMOEUUZGNGYMH-NRFANRHFSA-N 448.906 4.831 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccc(F)cc3)ccc2O1 170239663 ISAIHBITKVQISW-IQMFZBJNSA-N 429.447 4.932 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccco1 170284101 ZRBRQWPIRQGLRB-NRFANRHFSA-N 435.863 4.959 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2sccc2C)cc1C 170316995 JBKKKIURJHFTCR-OAQYLSRUSA-N 448.544 4.937 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(F)c(Cl)c1 170333945 CLSWHNSZPRGRDU-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccs2)cc1OC 170411656 BIAWTILMELOOGN-LJQANCHMSA-N 441.530 4.605 30 10 IJEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccc(O)cc3)sc2c1 170451109 PIUHRFCWVAGYLJ-HXUWFJFHSA-N 438.505 4.526 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccccn3)sc2c1 170479060 JECUOFUUBDIBLX-SFHVURJKSA-N 437.521 4.605 30 10 IJEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3ccccn3)nc2cc1C 170479236 QWYVBYIXGPMHBE-SFHVURJKSA-N 437.521 4.524 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NCc3cc(O)nc4ccccc34)c2)cc1 443699323 OYVGVIZFKBFNEJ-UHFFFAOYSA-N 438.487 4.907 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2cccc(Oc3ccncc3)c2)CC1 446153430 HAOFPHJIGYXGMX-UHFFFAOYSA-N 429.480 4.652 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CC)c1c(C)nn(C)c1C 466288969 MTMPFVWSPAKZTF-GOSISDBHSA-N 437.357 4.787 30 10 IJEE CCN(C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)[C@H](C)c1ccc(C#N)cc1 495097234 GHJSRCDWHGDKCT-MRXNPFEDSA-N 439.585 4.786 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](CC)c2nccs2)nnc1-c1ccc(Cl)cc1 523093234 PKZJFKHNYRMSPA-OAHLLOKOSA-N 433.990 4.601 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc(C(F)(F)F)cc1 542410547 QTHZEWMLJFUOGZ-WOJBJXKFSA-N 446.473 4.603 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 555255518 HFMXGFNHOPTZDB-UHFFFAOYSA-N 434.466 4.788 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1cc(OC)cc(OC)c1 559023826 ROPZUEQHPPQLAF-ZEQRLZLVSA-N 448.567 4.753 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(c2ccc(O)cc2)CC1 582693189 AZPQPUSPAXKZSB-ZEQRLZLVSA-N 430.552 4.799 30 10 IJEE CCOc1ccc([C@@H](O)C[C@@H]2SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 606657400 PESFUAQVTCAEJX-IRXDYDNUSA-N 425.337 4.735 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 685551704 DUDHALKWTYKEIK-VQTJNVASSA-N 447.587 4.531 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/Oc2c(ccc3c2[C@H](CC(C)C)CC(=O)O3)C1=O 725389247 MPKONUVXASHGLN-SBUZPKSBSA-N 438.476 4.767 30 10 IJEE CCc1cccc[n+]1/C(C(=S)N[C@@H]1CCc2ccccc2C1)=C(/O)c1ccc(C#N)cc1 762440115 QGLYEYZAMDWRCQ-HSZRJFAPSA-O 440.592 4.766 30 10 IJEE CC(C)(C(=O)Nc1cccc(OCC#N)c1)[C@H](O)c1ccc(OCc2ccccc2)cc1 778603882 KUISYTKWEHCPAC-XMMPIXPASA-N 430.504 4.866 30 10 IJEE Cc1cccc2nc([C@H](C#N)C(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)[nH]c12 789376563 BPOAACFNRPKXNQ-HXUWFJFHSA-N 444.535 4.697 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2CC1 789820028 JRHHNYKELYIWRI-HSZRJFAPSA-N 433.552 4.797 30 10 IJEE C=CC[C@@]1(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)CCCN1C(=O)OC(C)(C)C 791719467 HONCWLHHBLOKMI-KOSHJBKYSA-N 430.545 4.519 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1)c1ccc(Cl)cc1 810470472 GNPKTRPWVBHROB-VSDWSMLSSA-N 438.955 4.865 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)cc1OC 920772762 HGMYSENZOFXDON-LJQANCHMSA-N 430.342 4.870 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccc(F)cc2)n1)N(c1ccccc1)c1ccccc1 1084442607 KAWVSUXZKOOKFH-UHFFFAOYSA-N 446.511 4.847 30 10 IJEE C=CCN(C(=O)[C@@H](CC)CC(F)(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124608135 IBVZIGXGTJSXIE-ZDUSSCGKSA-N 446.516 4.711 30 10 IJEE C#CCCOc1ccc(C(=O)O[C@@H](C)c2ccc(F)c(I)c2)cc1 1128895936 YIIGKGMYZMIORK-ZDUSSCGKSA-N 438.236 4.750 30 10 IJEE N#CCOc1cccc(CC(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)c1 1131912715 GZDBCFBTGBGVJO-UHFFFAOYSA-N 441.409 4.654 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](c2ccccn2)C2CC2)nnc1-c1ccc(Cl)cc1 1133949619 NGJOLBFJBWWDBJ-HXUWFJFHSA-N 439.972 4.539 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)c3cc4ccc(C(F)(F)F)cc4nc3O)CC2)c1 1144762642 CEBZUPBBIGPDQF-UHFFFAOYSA-N 441.409 4.514 30 10 IJEE COC(=O)c1cc2c(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)ccc(OC)c2o1 1201644297 BSODELLFQUGRNF-UHFFFAOYSA-N 436.855 4.551 30 10 IJEE CCNC(=O)C1(CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCC1 1219156810 DNELMOVOWJZVJI-UHFFFAOYSA-N 442.972 4.791 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)CCCN1C(=O)OC(C)(C)C 1264775475 OYGPTAQRGFOSLB-RUZDIDTESA-N 435.524 4.914 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1)c1ccccc1 1265300282 GIKWEIZQCXDXDU-ILBGXUMGSA-N 448.607 4.882 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)c2)s1 1265351029 GFOMVNDQLVZHBJ-UHFFFAOYSA-N 443.450 4.646 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1 1275389221 HKLXOWVPVYNYRC-HNNXBMFYSA-N 430.346 4.898 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CCOC)CC1 1286277399 CPQQYLDELVAWTL-MOPGFXCFSA-N 445.007 4.963 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(-c2ccsc2)nc1 1286362608 ZQKHIJXCKBYVOD-QGZVFWFLSA-N 447.539 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC(C)(C)C1CC1 1286516211 YKOGQFFPMRLOBY-JOCHJYFZSA-N 444.421 4.865 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C2CCC1(C)CC2 1286630205 VSRRCIZJVXIJQQ-CSZIGFGKSA-N 436.000 4.666 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(C)CCOCC2)CC1 1286637453 FHZBFUSITOEAOK-HXUWFJFHSA-N 440.588 4.790 30 10 IJEE C=CC[C@H](Cn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1C(C)(C)C)c1ccccc1 1286681545 ORGCPQDMDNIYLE-OAQYLSRUSA-N 448.590 4.796 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1286695553 CPCFCVVPPSIJSH-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCc1cc(C(F)(F)F)ccn1 1286729006 JYGZIKGPBDCNGA-UHFFFAOYSA-N 445.489 4.753 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@H](C)C1 1286742463 ZSPLLGTXIJNNMM-NZQKXSOJSA-N 426.568 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCC)C1 1286811971 HSICVPBMVSRQDX-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCSC1 1288924658 CCJYUWRATFJYRK-YZZKKUAISA-N 443.592 4.830 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)n[nH]2)c1C 1290468846 MGZJPZUTNZBDMY-UHFFFAOYSA-N 446.536 4.642 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)CSc2nccn2-c2cc(C)ccc2C)cc1 1292822230 HUYCDMAAUSENKL-UHFFFAOYSA-N 434.565 4.927 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1294989983 AWBWOWJKLJKXDI-KSEOMHKRSA-N 425.552 4.740 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCCCC2)nc1 1298225366 IDVJOXZUUDMLEI-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCCC1 1300275644 XNYWTZAJGQNKMQ-IRLDBZIGSA-N 437.632 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)c1ccccn1 1300283540 NMGVRVLXZNILFJ-ZWKOTPCHSA-N 433.625 4.962 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1300363322 YBTHLDQPOKJOPY-LEWJYISDSA-N 428.964 4.555 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCC1(F)F 1300443547 JMELKQDGGAHDCH-MRXNPFEDSA-N 437.332 4.911 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1300755120 LVXYHXVKPWZNQI-ZWKOTPCHSA-N 439.654 4.903 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@](C)(CC)C1 1301017044 GBMHRGXSPFMJGW-FOIQADDNSA-N 425.360 4.829 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1301055148 FMFLXTSRWSAUST-LJQANCHMSA-N 430.961 4.802 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1301169705 GLUQMJUXXVPURQ-UHFFFAOYSA-N 435.563 4.569 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301199281 ZQLHPFXVLUTUJD-SFHVURJKSA-N 440.979 4.594 30 10 IJEE C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CN(C)C(C)C)CC1 1301228024 ZPQZYNAPDAZPDH-UHFFFAOYSA-N 434.632 4.873 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1301229713 YHBKWHRMNIDDLM-OAQYLSRUSA-N 440.567 4.517 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1301405787 KRFIVXTWXMXLHF-ISKFKSNPSA-N 445.567 4.706 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1 1302891022 UELCJRDJVOXGLA-VWLOTQADSA-N 430.589 4.583 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCCCC2)c1 1304268309 GSAMQHMILSREMQ-HXUWFJFHSA-N 439.604 4.580 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C 1304958629 BGBPKBSRZFQYFY-LQWHRVPQSA-N 434.613 4.806 30 10 IJEE C=CCn1ncc2ccc(NCc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc21 1308537886 SVXAARVIGHZYBZ-UHFFFAOYSA-N 425.558 4.584 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2CCCc2ccccc2)cc1 1310129705 BZNPYNXGNYBNON-JOCHJYFZSA-N 441.597 4.512 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCC2)cc1 1310196514 RRAGLRXNULDAQK-QHCPKHFHSA-N 433.552 4.526 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)CCCN1C(=O)OC(C)(C)C 1352948527 SXYNCOIRVKHYAW-XDHUDOTRSA-N 439.581 4.780 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4Cl)on3)CC2)c(F)c1 1358079999 GILQEOXOMJWCEW-UHFFFAOYSA-N 445.281 4.622 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1OC 1359003288 GCHAGFWSBAXELX-QGZVFWFLSA-N 434.609 4.956 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CCCNc1ccc(C(F)(F)F)cn1 1359064304 PPFKQRGBYJGGMU-IIBYNOLFSA-N 434.510 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC1(c2ccccc2C)CCOCC1 1359071198 HWOGKUMRWXZOIK-AREMUKBSSA-N 434.628 4.916 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)CC1CCCCC1 1359103515 PERLLFQTGFDYCV-DHLKQENFSA-N 438.616 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cc2ccccc2s1 1359108562 STVFPIQYYNJNRW-DEOSSOPVSA-N 440.613 4.790 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1359167903 YZTLEOBTUKGDJD-NRFANRHFSA-N 439.604 4.523 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1 1359194133 PWNDJQXVUODDJC-HSZRJFAPSA-N 448.615 4.688 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N(C)Cc1cc(Br)cs1 1359226839 NRLVKHPEJYDPCH-UHFFFAOYSA-N 439.423 4.989 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H](OC)C(F)(F)F)C1CC1 1359248117 AXRRCAHDCPYHKB-KRWDZBQOSA-N 444.885 4.729 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(F)F)C1CC1 1359250428 KGOUTVPOXGBUQM-MRXNPFEDSA-N 439.551 4.593 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1359309728 CEJVDAUPQPNEBJ-UHFFFAOYSA-N 449.502 4.880 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@H]2CCCC[C@@H]2C)C1 1359316894 YHBSMNCUZQSWGI-BWAGFHJFSA-N 445.007 4.975 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 1436684822 FHERMFILTFETEE-RPWUZVMVSA-N 426.560 4.996 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(OC(C)C)nc1)c1ccc(C(F)(F)F)cc1 1463377908 JYPFKVWLZAXZIG-SFHVURJKSA-N 428.476 4.873 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1ccccc1Br 1465992880 VUPLKOKRIMHLRM-INIZCTEOSA-N 440.341 4.561 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1470787641 YIIQLVCGZJCFRF-AVRDEDQJSA-N 427.589 4.914 30 10 IJEE C=CCn1c(SC[C@@H]2CCCC[C@H]2C(=O)OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472908035 OOVFLXONYOXTPN-OWCLPIDISA-N 446.638 4.840 30 10 IJEE C=CCC1(NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CCCCC1 1476573071 JPRPZFQNEVKZIO-UHFFFAOYSA-N 429.258 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC(F)(F)C1 1507523394 NUWILASJQMCHNT-LSDHHAIUSA-N 437.332 4.909 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCO[C@@H]1CCCC[C@H]1C 1507606630 SGRVCWXVRHKHHC-UYAOXDASSA-N 426.630 4.940 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2CC[C@H]1C2 1507781288 SZBSISYHFHKOHS-STQMWFEESA-N 438.167 4.605 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1 1507794367 FJVTZBRPFCEZPZ-RBBKRZOGSA-N 438.616 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1C 1507816802 OGISMPNXQMSWBK-PMACEKPBSA-N 448.615 4.904 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCc1cccnc1)C1CC1 1507988481 NGBNVMJUWUEVEE-UHFFFAOYSA-N 442.336 4.639 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1CCC(OC)CC1 1507997818 GJKJDZCYLXXDFN-UHFFFAOYSA-N 447.583 4.747 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=C)Cl 1508009331 OHUGMMYDNGOZOM-UHFFFAOYSA-N 430.961 4.969 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1508023114 ANZRYSIUEVVQNQ-IUTQVRIDSA-N 431.584 4.779 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1508162665 RLONVDARHVPALK-DEOSSOPVSA-N 426.630 4.812 30 10 IJEE Cn1cccc1-c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC(C)(C)C 1517403541 BUXQJHCGSZXDBF-QFIPXVFZSA-N 432.572 4.559 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)C(C)(C)C)cc1 1523247530 YJLFWODUOYTLPY-FQEVSTJZSA-N 438.543 4.879 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)c(OC)c1 1523846601 PVOJDDLBBMLFFE-UHFFFAOYSA-N 438.524 4.739 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C 1524982977 BCZOGYXNIAMHMH-INIZCTEOSA-N 425.367 4.529 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H]1n1cccn1 1525926820 HWQNXVZAXSTBRK-VXNXHJTFSA-N 444.535 4.669 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1528714870 ZCORRBFKUKVMAU-YADHBBJMSA-N 426.532 4.738 30 10 IJEE COc1cccc(N2CC[C@@H](NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)C2)c1 1529670545 GWGRSISNRAZXMZ-OAQYLSRUSA-N 427.504 4.676 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1530343602 CPJDRZCORCTLEL-VWLOTQADSA-N 445.950 4.646 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccc(OC)c1 1530534004 SMITUNKHBSBXBF-KNQAVFIVSA-N 444.984 4.677 30 10 IJEE CC[C@](C)(C#N)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1533142088 AYIRLSFSXDVKQV-RUZDIDTESA-N 431.536 4.643 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(Br)cc(F)c3C2)cc1OC 1537040869 FAWKDYPSYPDTCO-FNORWQNLSA-N 446.316 4.760 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN([C@H](C)c3ccsc3)CC2)s1 1537909287 HEHCXAJMJJAAMY-OAHLLOKOSA-N 442.075 4.806 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Br)cs1 1539127324 HCXNBIOXSIYWNJ-UHFFFAOYSA-N 435.416 4.804 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)c1ccccc1 1539187608 YEBFULKOHVQHMI-PMERELPUSA-N 426.538 4.838 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c1 1539458078 IPCLMUCNQYECMI-URZJWIJPSA-N 444.984 4.640 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)c(C)c2c1 1539535633 PFQKSCSFOBQPHT-UHFFFAOYSA-N 430.504 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)Cc1cccs1 1539566018 BREDPKTYTPERQP-UQBPGWFLSA-N 445.592 4.661 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@H](C(C)C)C1 1539727969 ASMHYIPWNBYOCE-NRFANRHFSA-N 426.586 4.862 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cscn1 1539729017 NGJUDDYFPLQWMO-UHFFFAOYSA-N 443.642 4.961 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1539898530 VCWIOSZNJRUSQK-IEBWSBKVSA-N 430.980 4.586 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)C(F)(F)F)C1 1540892680 QCCDQCNPKAOVKD-AWEZNQCLSA-N 444.448 4.517 30 10 IJEE C[C@H]1CCC[C@](Cn2c(-c3ccccc3F)nnc2N2CCC(CC#N)CC2)(N(C)C)C1 1543874207 CQITZNAEKCMTKV-DFBJGRDBSA-N 438.595 4.725 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 1544464171 FRJHWKACGCTZRY-QHCPKHFHSA-N 438.572 4.560 30 10 IJEE N#CCC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CSCCS2)CC1 1555993927 DAUQCQVPRKWDEY-GOSISDBHSA-N 434.034 4.577 30 10 IJEE C#CCN(CC(=O)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1)C(=O)OC(C)(C)C 1557933217 VWNYREOQDJLKKI-KGLIPLIRSA-N 445.507 4.788 30 10 IJEE C=CCN(CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1)[C@H](C)COC 1559992598 DLUQYJFQRCGBNZ-JOCHJYFZSA-N 446.595 4.926 30 10 IJEE CC[C@H](C)Sc1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)c1 1562290155 FBAYQZMGJSTLIZ-TXPKVOOTSA-N 432.590 4.766 30 10 IJEE C=CCC1(CNC(=O)N[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CCCC1 1564515376 FZDVONBAZKRNTE-IBGZPJMESA-N 448.405 4.689 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1564913740 STCZRYUUEBOSTE-ISKFKSNPSA-N 434.584 4.726 30 10 IJEE CC#CCNC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1567047355 VSPFUELZXMXAQG-HXUWFJFHSA-N 430.548 4.567 30 10 IJEE N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1584702522 CZPXXJXBJGUGSS-IFXJQAMLSA-N 427.298 4.941 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCC[C@H]2CSc3ccccc3O2)s1 1585865713 PJWZOMUTTHFSIO-AWEZNQCLSA-N 441.043 4.898 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cc(C(CC)CC)no1 1588275941 DJOAFRKJNAUVGQ-UHFFFAOYSA-N 443.555 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1589234433 SACDFXSUUOIEDI-AREMUKBSSA-N 448.615 4.581 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1589294780 ABJVCSIZBWVMLB-UHFFFAOYSA-N 446.437 4.659 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(COC)CCCCC1 1589625732 OFCNCSIUUWBPFR-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(=O)OC)CC1 1594473647 VZZXRXPMAYVGIZ-UHFFFAOYSA-N 446.979 4.599 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1595239744 RFIOVIOTCQSUMM-VXNXHJTFSA-N 438.616 4.816 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1595838203 NGTWQFVKURSBCH-GOSISDBHSA-N 440.535 4.917 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)N[C@H](C)c2cccc(C#N)c2)s1 1616334048 FBVOKWHFXXSCLI-GFCCVEGCSA-N 442.338 4.944 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 1618002942 SRZRLXQZYBQQPU-UYAOXDASSA-N 444.620 4.681 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccncc1OCc1ccccc1 1620932182 AUBBJEBZSPRMPX-UHFFFAOYSA-N 437.337 4.725 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](CC)c2ccc(F)cc2)CC1 1633874044 YQCSCHUEMDKJEW-VXKWHMMOSA-N 447.595 4.671 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-c3nc(CC)no3)cc2Cl)CN(C(=O)OC(C)(C)C)C1 1633875310 VSCHXHZRFBXBDQ-UHFFFAOYSA-N 446.935 4.704 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(C)(C)[C@H]1CCCCO1 1637459197 UNEWEGQXCBHGDF-GOSISDBHSA-N 427.358 4.881 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1640186445 JZULBAITMHVXLJ-AWEZNQCLSA-N 430.455 4.500 30 10 IJEE C#CCN(Cc1ccn(-c2cccc(F)c2)n1)[C@H]1CCOc2ccc(Br)cc21 1641795993 TWOCJDISHOPJGX-NRFANRHFSA-N 440.316 4.733 30 10 IJEE C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1642940470 BSVBNCDKBAMKGB-MGPUTAFESA-N 442.350 4.987 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](C(C)C)CC2 1646563326 HSBPKUBTZIUXHH-HIFRSBDPSA-N 427.998 4.878 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1CCCN(c2ccc(C)cc2)C1=O 1651889436 KRQAQXGMDIZNEN-JOCHJYFZSA-N 448.592 4.948 30 10 IJEE CCc1csc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)n1 1652129637 FXSODLXAXURNGO-UHFFFAOYSA-N 428.558 4.914 30 10 IJEE C=CCn1c(SCC(=O)NCC2CC2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1652385599 QHBBQTXINXZWKM-KRWDZBQOSA-N 444.670 4.962 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 1654239320 HOQNRODOIXFOOO-HNNXBMFYSA-N 426.925 4.927 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN([C@@H](C)c2nc3ccccc3s2)CC1 1657649290 PPWBSSRMMRMRAE-KRWDZBQOSA-N 425.985 4.841 30 10 IJEE CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1659133009 GDFBWNHFUPZPMN-FQEVSTJZSA-N 436.512 4.825 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCN(CC3CCCCC3)CC2)n1 1660157591 HUIFFIJRVQOTLK-UHFFFAOYSA-N 440.979 4.517 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)cc1Cl 1663074682 CMUQHFPFFAETQX-UHFFFAOYSA-N 429.756 4.919 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 1668370748 PLUWXNDAPBGZNE-VWLOTQADSA-N 427.548 4.968 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 1669147681 UPBOHCJVSCWLTE-UHFFFAOYSA-N 447.940 4.985 30 10 IJEE COc1cc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)c(F)cc1C#N 1673761849 DRANRRAPSRDLSG-QHCPKHFHSA-N 433.483 4.782 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Oc2cc(C)ccc2C)CC1)c1ccc(Br)cc1 1674025574 IABAPQNJUOPUDA-OAQYLSRUSA-N 441.369 4.993 30 10 IJEE COc1ccc([C@H](NC(=O)N2CCC[C@@H](CC#N)C2)c2ccccc2Cl)c(OC)c1 1679470193 BUOUNRWKYVBILA-KSFYIVLOSA-N 427.932 4.782 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1681783398 JWPGIYJPPQJHKG-WMZHIEFXSA-N 435.515 4.767 30 10 IJEE C=C(C)[C@H](NC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1681784857 WZRTYZXSQAWOOI-FQEVSTJZSA-N 435.515 4.839 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(F)ccc1OC 1681891572 RTDHQGBBETTWHY-UHFFFAOYSA-N 425.273 4.634 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccc(F)cc1 1683498869 XKYVLLCFXVVXAY-MOPGFXCFSA-N 425.262 4.729 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1CCCCO1 1689833856 RJQKYFKPSKWSND-WBVHZDCISA-N 449.368 4.654 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1689880140 SCPZZDJLUFPVBP-IBGZPJMESA-N 445.405 4.762 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC[C@H](C)C1 1689886782 GRHNMYGSRRCODE-FQEVSTJZSA-N 446.599 4.666 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)CCOCC 1689918089 QFYNNFISQBBELM-UHFFFAOYSA-N 439.785 4.637 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](SC)C1 1690157767 OVSCHOKTMQMNMW-FXAWDEMLSA-N 448.633 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1690419841 CULZTLKCNSPFMZ-RUZDIDTESA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1cc(C)cs1 1690424410 NRWUSCQFJLJTBX-UHFFFAOYSA-N 448.600 4.529 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1690452203 ZIFAGDPCSZJKKG-VQTJNVASSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690472378 MIQBLFMUCSHWHF-PKOBYXMFSA-N 438.494 4.769 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CC1(N(C)C)CCC1 1690579190 HKDMFIMNWOZYBQ-UHFFFAOYSA-N 439.604 4.746 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCCC[C@@H](COC)C2)cc1 1690680932 ADHYWDZHGWPBFF-HSZRJFAPSA-N 438.616 4.877 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCSC1 1692836094 DSVCWODIBQRCPJ-BSRJHKFKSA-N 443.592 4.830 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ncc(CC)s1 1705543352 CUQCJFKVJYLQSM-UHFFFAOYSA-N 429.977 4.579 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCO[C@@H]1C(C)C 1705577222 WIIXWVRNRBIGRT-DYESRHJHSA-N 445.394 4.776 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CC(C)(C)C1 1705624157 RWIHANHNQJSHNE-UHFFFAOYSA-N 445.405 4.538 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1705797620 ZCIKJRWFPTUYGC-LJQANCHMSA-N 449.990 4.667 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705803102 FPYQINRMQAKETR-UHFFFAOYSA-N 436.478 4.658 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1)c1cccnc1 1708175183 BCSVSPZLMLBJGL-XXBNENTESA-N 444.583 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)COC 1722283701 GTOBMSBBVHSJLR-INIZCTEOSA-N 426.561 4.943 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1722336120 SEPSQMVIGDMMKE-HXUWFJFHSA-N 436.581 4.703 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)CN1CCCC1 1722415467 AIACBCPMVHCJKP-UHFFFAOYSA-N 446.064 4.805 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCS1 1722422591 ZYWNEEAUPBMNKD-INIZCTEOSA-N 439.412 4.624 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1722465330 JHCHRHPUQYVBRY-SFTDATJTSA-N 438.641 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1cc(Br)cs1 1722469384 AWWIULMIOWBORI-LJQANCHMSA-N 431.359 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)CC1 1722491571 ATFJXULGFBCDSN-IZIIKQMZSA-N 445.007 4.975 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCCC(C)(C)C1 1722536162 KUIIQBHZNQPICD-UHFFFAOYSA-N 430.618 4.798 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1722562640 GZAXERHIIYPBGT-JOCHJYFZSA-N 444.366 4.711 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1722576272 DQCLTCPOYYRCTI-SFHVURJKSA-N 443.567 4.790 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722576632 RKFLKOFASMSADW-KSFYIVLOSA-N 445.405 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1722581334 SYKBSCUFAJPKMS-KRWDZBQOSA-N 444.649 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722586382 ZYSNGKIEEDHPCY-APWZRJJASA-N 447.421 4.825 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722618783 NWPPDRBOLIDHFT-IBGZPJMESA-N 445.633 4.732 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1722624786 GKUAXOHUXPSERY-KXBFYZLASA-N 449.368 4.818 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCSC(C)(C)C1)C(C)C 1722665767 NZNXUYVWIHJKRO-NRFANRHFSA-N 431.694 4.966 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=C)Br 1722669136 NMHFJDNMGFMJBW-UHFFFAOYSA-N 426.318 4.687 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](CC)C1 1722733268 YRIMEMWYZDSRRU-LPHOPBHVSA-N 436.622 4.808 30 10 IJEE Cc1ccc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)cn1 1724368461 CONBERBAGKPYLG-HNNXBMFYSA-N 426.977 4.571 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CCOCC)CCC1 1740551061 SETRYIWKROEXPT-IBGZPJMESA-N 433.556 4.655 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCc2cc(Br)ccc2C1 1740593926 VIKMBXLJBGAXJC-UHFFFAOYSA-N 441.398 4.669 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCC[C@H]1C 1740923374 KUWSQLPMMYYEFR-CJFMBICVSA-N 436.625 4.983 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC2(CC2)C1)C(C)C 1740927042 PXFYVZPTEYYRSO-YADHBBJMSA-N 427.637 4.599 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2cccnc2)C(C)C)C1 1740974752 PFWZYUPWQTWSPI-ZEQRLZLVSA-N 447.583 4.570 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1741002569 OFMDZTITVSZXIS-GOSISDBHSA-N 449.615 4.557 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1748657812 JRIQYYQLDUIPHS-MJGOQNOKSA-N 442.629 4.732 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1N(C)CCCC1(C)C 1748915403 YBXPNUSVZAUIJU-GCJKJVERSA-N 439.673 4.711 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1749040181 QDILUVYIDPHSGV-GOSISDBHSA-N 429.033 4.905 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1Cc1cccs1 1749102438 MIUJGHMLSQJFDY-RDJZCZTQSA-N 437.407 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1CC 1749118634 HTDOTFCTQSOYFA-IKLNAOFOSA-N 428.552 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749358591 BUNPCGNGIAKSRZ-XMMPIXPASA-N 444.023 4.502 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C 1749558501 WUHLQDQKPNKULX-MISYRCLQSA-N 439.570 4.879 30 10 IJEE CC(C)N(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1)C(C)C 1750892761 FSBCIQVHAJRFHH-VWNXMTODSA-N 434.632 4.952 30 10 IJEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)C2CCCCC2)s1 1751867357 FFTDLBLIKFJFTF-INIZCTEOSA-N 435.601 4.624 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1Cc1nc(C(C)C)cs1 1760210644 SDAICDQWOSMSSR-UHFFFAOYSA-N 435.622 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCC[C@@H]1C 1760289597 RAFXYZCADGJUPN-YADARESESA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C1CC1)N(C)C 1760291678 YCRUPVVFUJHODE-SIKLNZKXSA-N 432.399 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(CC)C[C@H]1CCCO1 1760320751 XMYNCXUMBYYLCM-OPYAIIAOSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1760337240 OQIMIPSCSKQVRI-NRFANRHFSA-N 426.605 4.794 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1760392212 INFMIDCIRGJGQX-JOCHJYFZSA-N 444.023 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760398610 FEGGZHHEADWLJO-AOMKIAJQSA-N 447.421 4.907 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C)C1CC1 1760475293 BLLVDNPKTSIZCV-HTAPYJJXSA-N 430.980 4.726 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCOC[C@@H]1C 1760478704 PKEAXTSJPBLSOI-NZQKXSOJSA-N 438.616 4.885 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccsc1 1760479515 RONRYYRPYIHZIF-XMMPIXPASA-N 433.581 4.579 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C(C)C)C1 1760483254 KRSSMYHBTHOHJY-NRFANRHFSA-N 448.590 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1c(F)cccc1SC 1760501650 XQSSJFZOUVEVJN-KRWDZBQOSA-N 442.560 4.519 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2C[C@@](C)(O)c2cccc(Cl)c2)C1 1761544404 CPCRDWOSBDCSIF-DNQXCXABSA-N 442.007 4.702 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCCC1(C)C 1761992118 DCADQFGUJXUTFQ-CLOONOSVSA-N 439.604 4.542 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC(C)(C)C2)c(C)n1 1764136211 AOLZWKRPODQALY-UHFFFAOYSA-N 431.588 4.797 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)cn1 1766286836 BIEWBOLMQWEUKA-HNNXBMFYSA-N 442.926 4.566 30 10 IJEE CO[C@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1)C1CC1 1769539273 CTBHLEAHXUKCFE-JOCHJYFZSA-N 447.505 4.801 30 10 IJEE CO[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1769625617 GILLLROSEHMBHR-QFIPXVFZSA-N 447.587 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCO[C@H]1C(C)C 1772522776 KTTGEQFGIQGZDG-ITSWEJNFSA-N 430.955 4.791 30 10 IJEE CCOc1ccccc1N=Nc1c(C)c(C#N)c(=O)n(CCc2ccc(OC)cc2)c1O 1772740707 DPLRQPDQEKHOII-UHFFFAOYSA-N 432.480 4.799 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12 1858242185 TUNZFKJAZRCDSA-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE Cc1cccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccc([N+](=O)[O-])cc2)c1 1859414524 VXOOQIJBIFGJLI-UHFFFAOYSA-N 437.459 4.939 30 10 IJEE C=CCNC(=O)[C@H](CCC)NC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 1861427015 BYMUZYBLENZCKG-QFIPXVFZSA-N 426.520 4.584 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 1862515572 SZTOSJPVXXHTDQ-GMAHTHKFSA-N 435.520 4.541 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862561500 VGLNNMFMCOXOSI-DEOSSOPVSA-N 437.499 4.571 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)cc2)cc1OC 1862575616 AZTBFOQMWRDZKI-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862591344 HJUGFZQBWUBUBU-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2Cl)cc1 1862662517 YAJXCFSTYLIJTL-OAQYLSRUSA-N 426.944 4.603 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccc(F)c2)cc1 1862688048 RLFYDVIZUHJLLS-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(C(=O)O)cc2)c1 1862701637 JXTPNACBHCFNPN-QPJICYPMSA-N 449.503 4.550 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862704173 SZENRLVHZNSCSM-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC(C)C)c1 1862757803 PSWFKINYOAGLER-NRFANRHFSA-N 438.480 4.618 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2ccc(Cl)cc2)C1=O 1863054116 CAJFOMYABKRJPD-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE Cc1cc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863095221 LXGZCULNBZXIFS-UHFFFAOYSA-N 448.457 4.951 30 10 IJEE N#Cc1c(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)sc2c1CCC2 1865995899 FIUCBTIWAHDXKH-OAQYLSRUSA-N 445.544 4.585 30 10 IJEE CC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867697092 OFWDJJGLVAJRRY-ZEQRLZLVSA-N 427.504 4.677 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)c1ccc(C(C)(C)C)cc1 1870157700 KCHDPDNJNQRAHI-UHFFFAOYSA-N 438.329 4.760 30 10 IJEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CNc1ccc(C(C)C)cc1 1870887288 XJMNCPXUXHXALT-UHFFFAOYSA-N 439.600 4.797 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 1871346350 AZPYQSCZYIQTOU-XYGWBWBKSA-N 442.515 4.600 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)cc1OC 1871367269 CGDZZPIDJVLRKW-UCQKPKSFSA-N 445.471 4.562 30 10 IJEE C[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O)c1ccccc1 1871424370 HNDGNTQSVBVHNX-SDPDQUOZSA-N 442.515 4.625 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)cc(C)c2C1=O 1871429863 QRZKPEZRXPKWMV-JMIUGGIZSA-N 449.484 4.727 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(NC(C)=O)cc4)ccc3C2=O)cc1 1871433274 ZVYQVIDRXMYOSD-MXAYSNPKSA-N 443.455 4.532 30 10 IJEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)c1 1871436437 YYWGPYQTATZEIY-XLFQKYORSA-N 440.455 4.589 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872145910 ZURXYJQGPCUMHC-HSZRJFAPSA-N 441.597 4.764 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872507298 KNIRLCUXHVUTSC-AUUYWEPGSA-N 441.018 4.940 30 10 IJEE CCCCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872721897 ZTLVIIIYZLNHNH-UHFFFAOYSA-N 446.613 4.555 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341275 CCTKRMRNEIGDBW-UHFFFAOYSA-N 442.346 4.972 30 10 IJEE O=c1c(Br)c(N/N=C/c2ccc(Cl)cc2Cl)cnn1-c1ccccc1 1873526291 XHJHOLUTAFPXRQ-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE C=CCOc1ccccc1OCC(=O)NC[C@H](c1ccc(C)o1)c1c[nH]c2ccccc12 1873678771 WFGRLOSYIREKHU-NRFANRHFSA-N 430.504 4.961 30 10 IJEE CCc1ccc(/C=N/n2c(CCCOc3ccc(C)cc3)nnc2SCCCO)cc1 1874254046 SUOQONOMZUJIAH-XIEYBQDHSA-N 438.597 4.517 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2/N=C/c2ccccc2Cl)CC1 1874284968 ILEUYQNMZZYFCS-ZMOGYAJESA-N 434.009 4.855 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1ccc(Br)cc1 1874399392 ONPFKICUBSFRJW-QQHUYRGFSA-N 445.386 4.549 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccn2)c(C)c1 1874425132 SQNOIUIXCNMRQL-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 1874445752 KAKWORWQCDMNMQ-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(F)c2)o1 1874454584 LKNNTCRCOQGZGD-FSJBWODESA-N 428.489 4.629 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(C)cc1 1874477629 FVPKFYGUEVAIKF-OEAKJJBVSA-N 426.542 4.873 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)OCC(C)C)cc1 1874579788 IIDWTAKLWGGDKF-SDNWHVSQSA-N 426.509 4.958 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1OC 1875126963 IGVNHFGYYUVXSO-DHZHZOJOSA-N 433.416 4.727 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)CC(C)(C)C 1875146860 JQDOUPNJSQNVIP-SOFGYWHQSA-N 440.492 4.713 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1cccnc1 1875147558 ZHFORYMIDGMLDF-JXMROGBWSA-N 433.460 4.613 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 1892792330 DEFCMZXPPARACH-RDPSFJRHSA-N 427.545 4.739 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3cscc3OCc3ccccc3)CC2)OC1(C)C 1950319765 IZRIQKVGBAOAEW-UHFFFAOYSA-N 425.359 4.731 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c(Br)c1 2043997567 KNZRYMGHENNCFT-HXUWFJFHSA-N 440.341 4.924 30 10 IJEE CC[C@H](c1ccc(C)cc1F)n1nc(C(F)F)c(/C=N/O)c1I 2078977792 OPIVASBOVHYOCB-WCRSTISQSA-N 437.203 4.680 30 10 IJEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)cc3Br)c(C3CCC3)nn2c1N 2081247810 ILGADUOOIHGBRK-UHFFFAOYSA-N 436.235 4.899 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c2ccccc12 2180956489 GNUSSVSBEPBONA-SFHVURJKSA-N 431.330 4.848 30 10 IJEE CC1(C)CC[C@H](Oc2cc(Br)cnc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2198815409 LWGPOYIAHIPGRF-BBRMVZONSA-N 438.366 4.814 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#Cc1cccc(Cl)c1 2212453068 PCVNOGCVMUSTMJ-WTOYTKOKSA-N 428.960 4.517 30 10 IJEE CCC[C@@]1([C@@H](C#Cc2ccccc2Br)NC)CCCN1C(=O)OC(C)(C)C 2235721375 DILVGEPCCLFGTE-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(N)(C#Cc1ccccc1Br)CC2 2235722782 SUJQLYXGXHZHPD-YTXWROIDSA-N 433.390 4.603 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](C(=O)C#Cc1ccccc1Br)C2 2235724700 MUFHMPFYXRHNGM-RYQLBKOJSA-N 432.358 4.653 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@@H](O)C#Cc1ccccc1Br 2235738989 DVRQJVRWCGKOBM-OALUTQOASA-N 434.374 4.731 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2249562632 GNHYEJWNRVEUES-PFWHTEFJSA-N 427.545 4.886 30 10 IJEE CCCN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)C1CCN(Cc2ccccc2)CC1 2267113010 OKWGXSKFGUEDAE-HZCBDIJESA-N 440.437 4.762 30 10 IJEE C=CC[C@@]1(COc2nc(C)ncc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272147567 DWWKZWUUVJWPBF-LJQANCHMSA-N 426.355 4.520 30 10 IJEE O[C@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)c(I)c1 2278770589 FWCHRRGCBUPOSB-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC1(C)OB(c2csc(C(=O)Nc3ncc(Cl)cc3Cl)c2Cl)OC1(C)C 2281938937 AYTQJOAFEZFZMU-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C1CCCN(C(=O)OC(C)(C)C)CCC1 2289765603 HSVJTHYOTQTVLT-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE Cc1cc(N2CCOCC2)ccc1C=C1SC(=Nc2cccc(Cl)c2C)NC1=O 2293998750 CGJALBUALNQYCP-UHFFFAOYSA-N 427.957 4.685 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCCCN1C(=O)OC(C)(C)C 2296215798 DRLCNGIRDJJYIP-UXHICEINSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C#Cc1cccc(Br)c1 2296222323 QRZVEUGSRSKFFH-IBGZPJMESA-N 428.326 4.506 30 10 IJEE CC(C)(C)OC(=O)NCCC1([C@@H](N)C#Cc2cccc(Br)c2)CCCCC1 2296282268 UTWBYUIIZIEBQF-IBGZPJMESA-N 435.406 4.993 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2296291806 SEYOCHQGJUPMLM-MJGOQNOKSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2296309941 CJZWHGAPQPQBOF-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCOC(=O)c1ccc(N=C2SC(=Cc3ccc(OC)c(Cl)c3)C(=O)N2C)cc1 2296390114 NUMDIEVYSRLMBR-UHFFFAOYSA-N 430.913 4.759 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)C=Cc1ccccc1 2296927875 DXRNOFPZWAOQQM-QHCPKHFHSA-N 426.428 4.777 30 10 IJEE CCCN[C@H](C#CC1(SC)CC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2299643961 VWJJIBTYAJSFKA-KSEOMHKRSA-N 446.657 4.752 30 10 IJEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317347538 ZBTBBPLOUSTVGJ-QFQMRYFISA-N 432.370 4.654 30 10 IJEE O[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319723257 YUFBSRGANKLFCN-XDZVQPMWSA-N 426.512 4.774 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2COCc2ccccc2)cc1OCC 2322016107 SYWQTRZMIHLIKS-UHFFFAOYSA-N 440.569 4.743 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)Nc2nccs2)c1 2322374094 YKFPMHAURHXFPV-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE O=C(COc1ccccc1C=CC(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1F 2322667657 SJOMLBVOFDRODW-UHFFFAOYSA-N 433.435 4.511 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2322748848 HIPBOBADSJIPQL-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE O=C(C=Cc1ccc(F)cc1)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2323044183 GZZWJMYCIDPSMT-UHFFFAOYSA-N 430.387 4.789 30 10 IJEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2323154050 OJKKDPTTZVSOBY-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)cc1 2323229832 AECDPWIHDKIXTR-UHFFFAOYSA-N 446.430 4.685 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)cc1OC 2323378899 JESYRQDTYNLPOM-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 2323900791 SMPFJNQZXRYYFD-UHFFFAOYSA-N 434.423 4.956 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc(OC)c1OCC(N)=O 2324288488 FVMIBIDMBMZNRG-UHFFFAOYSA-N 443.499 4.976 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccccc3OC)ccc2C1=O 2325735791 MYIKARUGBKJKQS-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)c(OC)c1 2327770670 ULZTYNBHORGMGZ-UHFFFAOYSA-N 430.533 4.897 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccn2C)c1 2328607672 ASYLFGGIUYOXBH-UHFFFAOYSA-N 449.555 4.724 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)c1OC 2330887197 ORJBTLQZPRLLQI-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1OC(C)C 2331092798 INODPLOEZVRAMO-UHFFFAOYSA-N 444.601 4.896 30 10 IJEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)c(OC)c1 2331211205 NJQOZSINACVLAF-UHFFFAOYSA-N 434.521 4.772 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(F)c2)cc1 2331377205 XFINDIXUKNODJR-UHFFFAOYSA-N 439.560 4.890 30 10 IJEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)c(OC)c1 2331453964 GLDSRJBECKVNTD-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccccc1F 2331630701 GIXRDAZJKJFAKY-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)c(OC)c1 2331724953 CTXSPQLADSAQJM-UHFFFAOYSA-N 445.493 4.557 30 10 IJEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC 2331864335 NFYYVTOQOXBWHM-UHFFFAOYSA-N 440.879 4.958 30 10 IJEE CC#CCN(C[C@@H](Cc1cccc(Cl)c1Br)NCC)C(=O)OC(C)(C)C 2337910639 QKWHCYDYUXYFAW-MRXNPFEDSA-N 443.813 4.884 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2339537844 RDCXINPGSXLPSA-KOSHJBKYSA-N 441.381 4.538 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339541024 FMJNALMYDBFSGK-GUDVDZBRSA-N 441.381 4.536 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574892 OQYCTPPLGSQZAO-MJGOQNOKSA-N 444.381 4.608 30 10 IJEE CC#CCN(C[C@H](NCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2365216642 WLNZZYHIQXLPCV-SFHVURJKSA-N 439.394 4.677 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@H](O)C#Cc2ccccc2Br)C1(C)C 2370076335 MHXHRXIAUDICML-YQVWRLOYSA-N 436.390 4.881 30 10 IJEE C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@@H]1C 19362743 LBLDMHBSVIVJPM-WOVHNISZSA-N 435.612 4.544 30 10 IJEE in-vitro C=CCn1c(CNc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccc(F)cc1 20831069 YHZCMGLPTNBPAS-UHFFFAOYSA-N 425.533 4.645 30 10 IJEE N#Cc1cccc(C(=O)N2CCCN(c3nc4ccccc4nc3-c3ccccc3)CC2)c1 25141910 HXEPYYUGFPNYFE-UHFFFAOYSA-N 433.515 4.521 30 10 IJEE CCOc1ccccc1N/C(=N\C(=O)c1cccc(C)c1)NCc1c(C)nn(CC)c1C 32971867 VWFWCTYSGRGPAR-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE C#CCOc1c(CC=C)cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 33457829 BVLFFKVLISBJNK-MOSHPQCFSA-N 436.895 4.577 30 10 IJEE CC(=O)Nc1ccc(NC(=O)CSc2nc3c(cc2C#N)C[C@H](C(C)(C)C)CC3)cc1 33467912 BAPCMWVUEHLOQM-GOSISDBHSA-N 436.581 4.793 30 10 IJEE COc1ccccc1/C=C\C(=O)c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 34955441 OVLQXMNBUWDFJQ-KAMYIIQDSA-N 448.471 4.836 30 10 IJEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCN(c2ccc(F)cc2)CC1 41585574 AIRZPORCFREFOL-IWIPYMOSSA-N 448.469 4.609 30 10 IJEE O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 100046205 UMVGBDJACXRDDL-WSDLNYQXSA-N 433.848 4.939 30 10 IJEE Cc1ccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2nccs2)cc1 102696030 ZQEBLLGGILAWHY-LCPUNJGISA-N 434.517 4.865 30 10 IJEE COc1ccc(Br)cc1/C=N\n1cnnc1SCc1ccccc1Cl 139675080 AAXZRRZEYLAHBE-NKVSQWTQSA-N 437.750 4.877 30 10 IJEE CN1C(=S)N[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)C2=C1CCCC2=O 169936455 UJWFORGIDZJEPO-NRFANRHFSA-N 430.932 4.926 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)c1 169962508 MDBGBTXNFINDAY-QHCPKHFHSA-N 441.439 4.935 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccn2)ccc1F 169999045 FFVKENMNELBCNB-FQEVSTJZSA-N 445.475 4.922 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2)c(C)c1 170048218 WHOIMTHAPABSLQ-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccco2)c(C)c1 170098374 WFBLWMSIEWCALD-NRFANRHFSA-N 443.459 4.564 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103274 LRIBIGACXOPDQC-IBGZPJMESA-N 433.851 4.901 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(N(C)C)cc1 170129269 PPVLWWPLCPMUOU-HSZRJFAPSA-N 436.552 4.776 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1C 170132844 DPGCNBVYJMAUFX-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)cc1Cl 170138367 KCYZWHVXANYKIM-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142446 SWDZGGRNGGQXES-QFIPXVFZSA-N 439.427 4.558 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)c1 170144904 WAZCJVXAPGZSBE-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccs2)cc1C 170155125 BNLSMQVVQJCWCU-OAQYLSRUSA-N 443.565 4.849 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccs2)c1 170159878 LKYSGICYLVKVKM-NRFANRHFSA-N 435.501 4.938 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170182394 XNLZVXVTEKSOMM-XMMPIXPASA-N 442.490 4.878 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1 170230757 ZKXBLEXMUBMPAX-XMMPIXPASA-N 442.515 4.895 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1c[nH]c2ccccc12 170255844 XPQVNIAEFQNUTH-OAQYLSRUSA-N 430.460 4.911 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265856 YUMHWCDSDZWVBH-AUSIDOKSSA-N 431.488 4.753 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccco2)cc1C(C)C 170280611 UOYQXVYAMWWIBA-JOCHJYFZSA-N 441.524 4.723 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364668 MNFUTMISIKPLOA-HXUWFJFHSA-N 425.387 4.739 30 10 IJEE CC(C)COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccncc2)c1 170420212 LYWARMSXSGFKDV-XMMPIXPASA-N 442.515 4.895 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 170471756 WKKSFHNDMXKYCU-JOCHJYFZSA-N 435.520 4.834 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OC)N2 250405945 SSHBKEXWFGRVLJ-OHUGHZGNSA-N 436.577 4.884 30 10 IJEE CCCCNC(=O)c1c(N)n(N=Cc2ccc(C(C)C)cc2)c2nc3ccccc3nc12 254295571 WPZRKEXFIOTGJQ-UHFFFAOYSA-N 428.540 4.702 30 10 IJEE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNS(=O)(=O)c2ccccc2)c1 263631049 XLWSAKFNCQSYOL-UHFFFAOYSA-N 444.512 4.680 30 10 IJEE N#CC1CCC(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)CC1 442719968 IGQMWOFCIXCKMQ-UHFFFAOYSA-N 449.530 4.867 30 10 IJEE N#Cc1ccc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c(Cl)c1 444908262 FVOGZORJRWRZDK-UHFFFAOYSA-N 439.821 4.938 30 10 IJEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(Br)cc1 460563737 VITNNHZMOLBALT-LPHOPBHVSA-N 449.393 4.682 30 10 IJEE C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 471003668 FSTRJUGLOSSIRS-FOIQADDNSA-N 442.350 4.987 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1csc(N(C)C2CC2)n1 489629943 CQTYKSDTPWUUDQ-UHFFFAOYSA-N 427.599 4.699 30 10 IJEE N#C[C@H](C(=O)c1cccc([C@H]2CCCOC2)c1)c1nc(O)c2c3c(sc2n1)CCCC3 500453104 UYRSQTHVRXITCD-FUHWJXTLSA-N 433.533 4.660 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 507278684 ITTGTKRHVOYJMV-QFIPXVFZSA-N 436.621 4.623 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 508864476 OTAJCPKGXBXXID-NRFANRHFSA-N 434.588 4.687 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(OCc2ccccc2OC)CC1 508874754 SFDGSONDUGVHGA-UHFFFAOYSA-N 436.531 4.773 30 10 IJEE N#Cc1cccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)cc3F)C2=O)c1 526669131 KLMAIIFWEHILOP-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE C[C@@H]1CCCN(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)C1 526690482 YVKSKYOLNDWLKF-OAHLLOKOSA-N 437.952 4.821 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc1OC 526824988 DJWGZAYWVIDKNJ-CFRMEGHHSA-N 444.532 4.570 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2ccccc2)C1 555262492 OZKABOHHECSXBS-HJOGWXRNSA-N 430.552 4.677 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cccs2)C1 558992179 SZPBGRZBNUPWGT-VQIMIIECSA-N 428.533 4.773 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2cc(OC)c(C(=O)O)cc2Cl)cc1 586011930 GPRCCJIUCNGKCZ-UHFFFAOYSA-N 443.887 4.505 30 10 IJEE C=CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(CC)cc1 586240220 QNXDBKJZWXKLOY-UHFFFAOYSA-N 445.540 4.796 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 733197577 PGKVXMPIOQGTMQ-QFIPXVFZSA-N 445.519 4.963 30 10 IJEE N#Cc1ccc([C@H](OC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)C(N)=O)cc1 734555676 BWXKNHMXFHGSJV-JFLYLQGUSA-N 434.854 4.661 30 10 IJEE Cc1ccc(-c2csc(CC(=N)NOCc3cc(Cl)ccc3OCC#N)n2)cc1 735307442 KKJBMMHRLMPTAH-UHFFFAOYSA-N 426.929 4.915 30 10 IJEE CCN1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 743221732 VXFONEINGPMVQO-HNNXBMFYSA-N 432.446 4.833 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1OCc1cn2ccccc2n1 745058694 KPWLFQTYKBTYNB-UHFFFAOYSA-N 442.475 4.650 30 10 IJEE C=C(C)[C@H](CC(=O)OC[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)OCC 756564131 YWPVBPFNCPUHRE-MDKPJZGXSA-N 427.463 4.529 30 10 IJEE Cc1cc(C(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)ccc1NC(=O)c1cccs1 774315652 DASABPJKXJOROI-QGZVFWFLSA-N 426.444 4.879 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 917707162 OLKGIEIHIVRTER-QFIPXVFZSA-N 440.528 4.858 30 10 IJEE COc1cccc([C@H](CNC(=O)/C=C/c2cn(CCC#N)c3ccccc23)N2CCCC2)c1 1086846547 MJAOWSGNUWEGCP-JYSHFMIGSA-N 442.563 4.530 30 10 IJEE C#CCN(C(=O)c1ccc(Cl)c(OC)c1)[C@H]1CCOc2ccc(Br)cc21 1126229533 PYVLWDKYDNDBCX-KRWDZBQOSA-N 434.717 4.710 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H]1c1ccc(Cl)c(F)c1 1126564174 GGWKAUNRZBUQOU-FZKQIMNGSA-N 439.796 4.528 30 10 IJEE CC[C@H](C#N)N(CC)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 1134208115 DTIPDFPZPRMHMU-GOSISDBHSA-N 428.330 4.774 30 10 IJEE C=C[C@H](C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1137046206 KXCGILLBBJHMLX-XZOQPEGZSA-N 439.964 4.919 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 1137688129 ILSZJEJNVHBJSV-VQTJNVASSA-N 432.536 4.639 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3ccc(Cl)cc3F)C(C)C)n[nH]2)c1C 1153950524 NHVUWIPCKHJZLM-OAQYLSRUSA-N 429.927 4.996 30 10 IJEE Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)CC(=O)Nc2sc(C)c(C)c2C#N)c1 1167927181 GOPLBUWPZXJEKO-UHFFFAOYSA-N 446.576 4.937 30 10 IJEE C=CCCCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1184416170 MOYVMVNHBLNFTG-UHFFFAOYSA-N 436.961 4.578 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc3c2OCCC3)c1 1187063484 DQTRIMZIGWSFSH-UHFFFAOYSA-N 438.936 4.932 30 10 IJEE C#Cc1ccc(S(=O)(=O)N(C)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)cc1 1209724822 GMACUYGVDSHOPD-UHFFFAOYSA-N 433.573 4.993 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCCOc3ccccc3)C3CCOCC3)cc21 1209768100 RXTSHNBYVONARX-UHFFFAOYSA-N 434.540 4.704 30 10 IJEE CCN(C[C@@H]1CCN(C(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)C1)CC(F)(F)F 1220258696 GJYSPWYMTGIVAL-SUMWQHHRSA-N 443.407 4.519 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 1226724932 PQCOUQVJHTVTOR-MOPGFXCFSA-N 437.298 4.905 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCCCS1)c1ccc2c(c1)OCCO2 1264221316 PJIPGMWDZLXQGG-HSZRJFAPSA-N 425.550 4.842 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)CSc4ccc(Cl)cc43)cc2C1=O 1268941301 NSUDSVPGXGQRRJ-CYBMUJFWSA-N 426.925 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@@H](OCC)C(C)C 1286283723 ZHBZLJBWJYKNHG-VQIMIIECSA-N 433.394 4.617 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286319912 ZFTLGNVLLBRJFM-IBGZPJMESA-N 435.597 4.906 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H](OCC)C1CCCC1 1286404959 XTFMJWWEFXKBCV-JOCHJYFZSA-N 442.966 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](CC(C)C)N(C)C 1286421139 NIQKBFIQLOWTEE-XMMPIXPASA-N 433.644 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOCC 1286423273 JFNFPOYRXMFYAA-UHFFFAOYSA-N 436.556 4.702 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCSC(F)(F)F 1286456214 OIWWEHXSWNBQNP-QGZVFWFLSA-N 442.482 4.552 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](COC)C1 1286533200 FBBCJPWLFVAABE-GFCCVEGCSA-N 446.176 4.633 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCOC 1286533976 NQUJZQGIGRXELN-UHFFFAOYSA-N 434.165 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)N1CCc2ccccc2C1 1286579466 PCJYENHPGNIGCJ-ZEQRLZLVSA-N 437.632 4.759 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(Cc1cccs1)C1CC1 1286622970 AJJFBLKDNZRRPP-UHFFFAOYSA-N 430.961 4.945 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)CC1 1286645914 JDLRTMQDJLUYDW-HXUWFJFHSA-N 443.636 4.985 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1286648992 OJVLSGRRLSDTRM-PSWAGMNNSA-N 435.660 4.978 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCOc2ccccc2C)CC1 1286662671 UNQIHMCBRHWMNL-UHFFFAOYSA-N 437.613 4.814 30 10 IJEE C=CC[C@]1(C(=O)NCCCOc2ccc(Cl)cc2C)CCCN1C(=O)OC(C)(C)C 1292087852 ZCMXPPJXHOKABB-HSZRJFAPSA-N 436.980 4.879 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OCC2CC2)nc1 1293904297 FXUHKIWOQVETKG-GOSISDBHSA-N 430.556 4.674 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(Br)c1N 1299168610 DSNWXDVLNNSDJE-UHFFFAOYSA-N 426.108 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OCC2CC2)nc1 1300282356 OFDUYKMTVMWTON-IBGZPJMESA-N 443.595 4.933 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1300387104 ZCRDMAIPMBXCFR-GOSISDBHSA-N 449.343 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2ccccc2OC)C1 1300886391 XNSKJECFWBRQDE-NMMYMHLASA-N 438.616 4.850 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1301066450 PDZVTXUSBZXTLY-UWJYYQICSA-N 429.996 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](OC)C2CC2)CC1 1301110085 SZFLYONEVOTRAF-LJQANCHMSA-N 431.378 4.535 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)C(C)(C)C1 1301186587 CPSMMSVQLFYPAB-FQEVSTJZSA-N 437.636 4.681 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC1(CCC)CCC1 1301340255 XQPSKRCSYVSVGI-UHFFFAOYSA-N 429.572 4.713 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC[C@H]1C 1301375729 SANMGKMLGPRZGV-AEFFLSMTSA-N 431.378 4.559 30 10 IJEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1301423931 DUOHXQJVSNQFHZ-HMXCVIKNSA-N 430.980 4.931 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC=CO2)C1 1301537555 BVMIOZFVESTJEZ-BHDDXSALSA-N 438.572 4.509 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(NC(=O)C2CCC2)c1 1302151024 GKAYKRYMONPESL-SANMLTNESA-N 448.615 4.784 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(Oc4cccc(C#N)c4)CC3)n2CCC(C)(F)F)o1 1304314399 CPMWMKVUEKWINX-UHFFFAOYSA-N 441.482 4.811 30 10 IJEE N#Cc1ccc(CN(CC(=O)N(Cc2ccccc2)C2CC2)Cc2cccc(F)c2)cc1 1307534754 DRONSFBRGKWQGG-UHFFFAOYSA-N 427.523 4.891 30 10 IJEE CS[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1316390891 BYQCHOIILCKKCU-KXBFYZLASA-N 442.633 4.521 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccc(Br)cc2)n1 1348449562 FSDZYVRJRZDEON-UHFFFAOYSA-N 437.750 4.573 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1ccccc1 1348518594 GQDLSNBQRMJBEU-ZCNNSNEGSA-N 426.582 4.652 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1348903393 PJLYOCAGCYPTRW-OAQYLSRUSA-N 426.479 4.710 30 10 IJEE CC[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc2c(c1)OCCO2 1351169679 BQPZDKIPYHAGDZ-JOCHJYFZSA-N 428.488 4.790 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c1 1352420584 ZASGVDCVBPFSAO-HXUWFJFHSA-N 444.556 4.633 30 10 IJEE CC(C)CN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccc(C#N)cc1 1353221115 CKBNDFKJWPNUSL-INIZCTEOSA-N 430.335 4.907 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CCCN1C(=O)OC(C)(C)C 1353993445 KTPKMKZRIQKRQO-DEOSSOPVSA-N 439.487 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(CC)(CC)OC 1358879668 WASXUSIQQPXQSD-INIZCTEOSA-N 433.394 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C(C)C 1358888428 MTJWXCYZXZPPCF-GOSISDBHSA-N 431.625 4.533 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@H]21 1358918220 ODDZFJXTDWQVMZ-ZCNNSNEGSA-N 427.593 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCc1cc(C(F)(F)F)ccn1 1359067858 FFHVSNQMXUYZHU-JOCHJYFZSA-N 443.448 4.733 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccccc1C(F)(F)F 1359073016 YUQZVRJSKDPBNN-OAQYLSRUSA-N 430.499 4.990 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(C)nc1 1359073086 BSVRJAOZXRQKQW-HHHXNRCGSA-N 443.595 4.898 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1Cc1ccccc1 1359111705 JYKFEKDPGXPSEA-HSZRJFAPSA-N 430.600 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCSC1 1359116401 JQECMGIUNBHVSG-MSOLQXFVSA-N 435.638 4.506 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN(C)CCCC)CC1 1359146071 MMNZXCSOBXZKAG-UHFFFAOYSA-N 437.419 4.694 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[C@H]2CCCCO2)CC1 1359161335 ZMNZZKCUVXTOFL-GOSISDBHSA-N 448.409 4.552 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1359175773 YUEDBGCUBMKLIN-UHFFFAOYSA-N 442.007 4.792 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1359212700 VASIOBBBABHCIG-UHFFFAOYSA-N 435.616 4.839 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCCCC1=O 1359268166 GMUFEWYPHNBFAP-UHFFFAOYSA-N 427.980 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359273779 NUTNOUHPGSPRDV-PMACEKPBSA-N 427.662 4.865 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359309013 FUWMFYMGGYBWSW-JOCHJYFZSA-N 436.556 4.711 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1359342813 FWINXOCSNJUKHU-OPYAIIAOSA-N 428.602 4.725 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-n2cccn2)c(C)c1 1360643981 JBCGOMXOEOZVAU-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cl)cc1Br)c1ccc(Br)cc1 1436652154 WZVMZUWXTLZFPN-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)c1ccccc1 1437066711 BBMLLPRTJSUOPZ-VNSJUHMKSA-N 430.592 4.667 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1 1437717570 QLBFZASEXPHNBH-UHFFFAOYSA-N 437.322 4.611 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1cc(Br)c(Br)s1 1450368377 YWUGIQPFOBUXOO-CYBMUJFWSA-N 449.208 4.732 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)OCC 1454711337 JJSKVSRQGLXMPE-HXUWFJFHSA-N 428.920 4.972 30 10 IJEE Cc1nc(SCC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c(C#N)c(C)c1C 1458338605 BXWTVUNPHSLMFZ-HNNXBMFYSA-N 449.407 4.673 30 10 IJEE COc1cc(C(=O)Nc2c(C#N)c(C)nn2C)ccc1OCc1ccc(Cl)cc1Cl 1461442736 FCIWWPKPDYDJQM-UHFFFAOYSA-N 445.306 4.747 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 1464272396 VOHWBGMAXGAEEC-AZUAARDMSA-N 446.588 4.604 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1464361266 ROJSJEYZSDVMTN-PZJWPPBQSA-N 430.589 4.883 30 10 IJEE CC(=O)c1ccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 1465516094 BDHJRHOGDXHNKD-UHFFFAOYSA-N 431.467 4.843 30 10 IJEE C#CCCCCNC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1466030270 CLQAVEVNZOHZSA-UHFFFAOYSA-N 426.582 4.563 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Nc1ccc(C#N)c(F)c1 1466772773 GBHGAFJECBGGEQ-SFTDATJTSA-N 438.503 4.741 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(Cl)c(Cl)c1 1468509178 KNZMNYLCOHFYKF-OAHLLOKOSA-N 437.751 4.524 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCc1ccc(I)s1 1468517391 AJYJHTASUVFJSB-UHFFFAOYSA-N 440.350 4.683 30 10 IJEE C=CCN(C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)[C@H](C)COC 1469312428 DWSOVXSZAFJVLY-FOIQADDNSA-N 435.337 4.910 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F 1470490224 AGJFYNWXASIZCC-GFCCVEGCSA-N 445.254 4.992 30 10 IJEE C#CCNC(=O)C1CCN(Cc2cc(F)ccc2Oc2ccc(Cl)c(Cl)c2)CC1 1474470708 CHNODTNULXPHGR-UHFFFAOYSA-N 435.326 4.886 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 1474560954 MMONVKLGZPSJGM-FQEVSTJZSA-N 425.834 4.824 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCN(CC2CC2)C1 1476100055 GRQWZEAMFPKVKJ-HSZRJFAPSA-N 432.568 4.689 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2Oc2ccc(OCCC)cc2)CC1 1477803545 UYZXIUDYTYIIMW-DNQXCXABSA-N 429.605 4.505 30 10 IJEE CCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OC(C)C)CC2)CCCC1 1502750423 CBTNNSKWNQHHSX-UHFFFAOYSA-N 437.588 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507797652 PWVHKCYCFGEFKG-HNAWSFBYSA-N 432.515 4.620 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCC1 1507819664 ULXWVTFUTLOMFR-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nc(C)cs2)CC1 1507881469 URKWZXZSQYYBGG-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN(C)[C@H](C)CC)CC1 1507909166 UKKJIJALJXPCPR-OAQYLSRUSA-N 425.621 4.607 30 10 IJEE C=CCCCCn1c(N2CCS[C@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507937255 OTRDSSBSKKRAJK-CEXWTWQISA-N 449.665 4.737 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCCC1 1508036006 IWZMUDUJSDGLQA-UHFFFAOYSA-N 447.004 4.757 30 10 IJEE CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H](COC)Cc1ccccc1 1516282301 GWJZZWZMLFDPCR-VWLOTQADSA-N 428.532 4.857 30 10 IJEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cc(Br)cs2)c1 1518354457 BDDKQTFPUZSBLA-ZDUSSCGKSA-N 446.374 4.564 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(COC)cc1)c1ccc2c(c1)OCO2 1521283701 FWMTTYQEGUQSBG-UHFFFAOYSA-N 431.488 4.974 30 10 IJEE C#CCOc1ccc(COC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 1521967430 BJLZTURUXPDZRZ-UHFFFAOYSA-N 439.467 4.983 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1523896530 UJEQQYUNMNTPAG-UHFFFAOYSA-N 432.973 4.886 30 10 IJEE CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c2cccc(Cl)c21 1523935559 BFLVLRZRACEEIG-AWEZNQCLSA-N 428.319 4.542 30 10 IJEE C=CCN(C(=O)[C@H]1CCc2cccc(OC)c21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524296439 RNPZCIAZWJMRBV-SFHVURJKSA-N 435.505 4.976 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CSC(F)(F)F)c1ccc2c(c1)OCCO2 1524358027 MXKGWEIKFVVKGS-UHFFFAOYSA-N 439.455 4.809 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)on2)c1 1524865188 ADPQPCQADRRFJS-INIZCTEOSA-N 427.291 4.529 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2sccc2Br)s1 1525248810 CJUQCVHTKGNVKD-UHFFFAOYSA-N 437.837 4.979 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 1529563095 ISNXZXJEYBUHCU-OAQYLSRUSA-N 434.561 4.806 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2c3ccccc3CC[C@H]2N2CCCC2)cc1OC 1529906260 KWZZOIVIHHOWIA-JVNCJYQFSA-N 432.564 4.541 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)C(C)(C)C)ccc1Cl 1530471890 ASYZYZNWJYXAMQ-MRXNPFEDSA-N 434.989 4.886 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12)C1CCOCC1 1533500546 IZFHOMSYIZRDOX-SFHVURJKSA-N 437.590 4.618 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)cc1 1537417117 YHOYWLYBLLHKAS-UXHICEINSA-N 427.522 4.719 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1539615721 KUXOLOKUOPJXQN-WWMYMODYSA-N 445.995 4.501 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CC)Cc1c(F)cccc1F 1539629723 XZHLFLBUXXGKQK-HTAPYJJXSA-N 441.526 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1F 1539634887 DHWZWNBRWALDFD-IMWIBFENSA-N 435.547 4.582 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)c2nccs2)CC1 1539696657 UUVHCNCRWXHLFT-MRXNPFEDSA-N 428.993 4.514 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(C)COC2)CC1 1539828101 FENMFUOXMZZMCF-GOSISDBHSA-N 430.980 4.881 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[S@@](=O)C(C)(C)C)CC1 1539874941 RXRDPXXZOXUBGU-AUMHUTNHSA-N 448.608 4.507 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nccs1 1540120013 IEAUAHFGEKUXOI-YLJYHZDGSA-N 439.585 4.591 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC1)C(C)C 1540152398 TYZLYGOARQKXRL-DEOSSOPVSA-N 432.616 4.736 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@H](CC(C)C)C2)cc1 1540878926 MUYWZQSYSHGUHI-HSZRJFAPSA-N 431.584 4.749 30 10 IJEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1Cc1cccnc1Oc1cccc(F)c1 1541445956 BPFSYGIDBXVWSS-UHFFFAOYSA-N 448.546 4.981 30 10 IJEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cccs1)C1CC1 1541510687 GOOFEARUQRIGDS-XMMPIXPASA-N 435.597 4.801 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CC[C@H](C)C2)cc1C 1542423852 ALEZSBPXPMXBHV-UWJYYQICSA-N 434.588 4.714 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC(C)C)C(C)C)cs1 1554585476 BUMYBCRXUUGAFV-QGZVFWFLSA-N 438.601 4.900 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3cccc(F)c3)C2)n(-c2ccc(F)cc2)c1C 1559796226 BTTVRAMUYFYBOU-IBGZPJMESA-N 434.490 4.672 30 10 IJEE COCC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1561560992 CADRAQOAMPCJKN-QGZVFWFLSA-N 433.744 4.575 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1562086695 XSWUTECRWILTMR-IBGZPJMESA-N 433.618 4.707 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCCC1(C)C 1564515463 HATOPPOCBQNCCF-HKUYNNGSSA-N 437.506 4.583 30 10 IJEE C#CCOc1ccc(CNC(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)cc1 1564799124 YWDXAGGCUIWUAS-UHFFFAOYSA-N 429.358 4.590 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1586560635 IPMBNXBLUZPZGM-UHFFFAOYSA-N 440.528 4.967 30 10 IJEE CN(C)[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 1587292552 BYKQONOPQGZSBN-XMMPIXPASA-N 433.939 4.823 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)c1cccs1 1587556867 VURWXMXPOSVBDC-GOSISDBHSA-N 435.597 4.644 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]2CCC[C@H]21 1587798391 JBVJZDIAAIAWOC-NJYVYQBISA-N 441.620 4.923 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H]1CCO[C@H](C)C1 1594907097 OSLFRKDIIPVZCW-IAGOWNOFSA-N 433.394 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1595170418 CDGUBQIEDNDJNA-SQJMNOBHSA-N 437.588 4.673 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1CC1CC1 1595234254 MLFSFCYKGHXJSP-UHFFFAOYSA-N 440.389 4.691 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1)N1CCCC1 1598264737 HGAWTEGFBDJYAN-HSZRJFAPSA-N 448.640 4.678 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1602995613 FGPKBGZDNJZCJP-IBGZPJMESA-N 440.473 4.904 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@H](CN3CCCC3)c3ccccc3)cc2)c1 1611406248 DYRYCYKIWMUWGA-AREMUKBSSA-N 425.532 4.955 30 10 IJEE Cc1n[nH]cc1CCCn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1611850461 BFMWDEWBEJPANE-UHFFFAOYSA-N 431.588 4.572 30 10 IJEE Cc1ccsc1Cn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1611874347 GLGGFHIEBKSGHV-UHFFFAOYSA-N 441.004 4.671 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1624859563 KRNJODXKEJPPIY-BTYIYWSLSA-N 435.442 4.881 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 1632422246 XBDRZXVWTVXPFC-AWEZNQCLSA-N 426.989 4.910 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)C1 1632527156 ACXMWXZIQDUCHQ-UNMCSNQZSA-N 433.552 4.506 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 1633586039 XOPYXJCCPNFKHR-NQIIRXRSSA-N 431.577 4.743 30 10 IJEE C=CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 1634303166 YAOZKWJOJMDFTH-YWXUCKCNSA-N 443.503 4.687 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)c2c1 1639815677 GBTDBSCERBOFSU-IBGZPJMESA-N 444.457 4.857 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 1640052968 BBZVHPQMTNEKDH-UHFFFAOYSA-N 434.989 4.635 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3c3ccc(Cl)cc3)ccc2c1=O 1640714029 DWKKMDZOSOZFMG-FQEVSTJZSA-N 439.968 4.892 30 10 IJEE CCc1ccc([C@H]2COCCN2Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)o1 1641827606 ALPWWPNDGBYKSQ-HSZRJFAPSA-N 432.520 4.875 30 10 IJEE N#Cc1ccsc1N1CC[C@@H](Sc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)C1=O 1643727692 FJYLRSKYRUNPMM-CYBMUJFWSA-N 436.349 4.609 30 10 IJEE C=CCN(Cc1ccccc1F)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1652329536 QSYGYGPUNNHKKX-QGZVFWFLSA-N 442.490 4.616 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN[C@@H](COc2ccccc2F)C(C)(C)C)cc1C 1657952193 HVXJINDZTNDLKY-QHCPKHFHSA-N 425.548 4.773 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCC2=Cc3cc(Cl)cc(Cl)c3OC2)cc1 1658570331 YHBMATDYRQWVDF-UHFFFAOYSA-N 439.364 4.688 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C12CCC2 1661979606 CYEBXUXAVIMLEX-RTBURBONSA-N 442.560 4.693 30 10 IJEE C#C[C@@H](NCc1cc(Br)c(O)c(OCC)c1)c1ccc(Br)cc1 1664837852 JVXUQZZBJJHNMW-MRXNPFEDSA-N 439.147 4.780 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 1666095703 UJJSPSYEBQZCCW-UHFFFAOYSA-N 448.418 4.667 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 1671072039 DGBNJTXBPWUMMT-NHCUHLMSSA-N 429.923 4.981 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1)c1ccc(F)c(F)c1 1671956719 IPDKTSNNPKTLKG-SFHVURJKSA-N 434.487 4.677 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@H](CC)c2ccc(Br)cc2)CC1)c1ccccc1 1674025370 CYYPMRMUGMAPMJ-FGZHOGPDSA-N 440.385 4.602 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC([C@H](O)c4ccc(OCC)cc4)CC3)cc21 1674679672 ORPURRJWMVXROZ-XMMPIXPASA-N 434.540 4.599 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(Br)cc1 1676191196 NRELPGZTIAXJIB-OAHLLOKOSA-N 431.290 4.603 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)c1ccc(Br)cc1 1676358890 WQQLJYJQQYYNDS-FCHUYYIVSA-N 440.385 4.568 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(Cl)cc1 1677274117 IGTWBBPMXAYWCT-YWZLYKJASA-N 446.776 4.603 30 10 IJEE COc1ccccc1[C@@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)c1noc(C)n1 1677860055 CXRFCGQXEVVLGV-QGZVFWFLSA-N 425.514 4.528 30 10 IJEE C=CCN1CCC(NC(=O)N2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1678692752 WGJWCVJIQPJGLD-OAQYLSRUSA-N 427.486 4.602 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(F)c(C(=O)OC(C)(C)C)c1Cl 1679592682 VNVNUQFLOKXTIS-UHFFFAOYSA-N 432.879 4.768 30 10 IJEE C#CC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 1680515636 RLHDCAYSNGSIKX-OALUTQOASA-N 430.335 4.553 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 1681941497 ASKNBSNXOHBUFT-IFMALSPDSA-N 441.616 4.995 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)cc1 1682560454 SXSLBSMEQDOXCD-QFIPXVFZSA-N 429.358 4.832 30 10 IJEE C=CCN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C1CC1 1682715528 GYZYBARTNHPIGI-WIYYLYMNSA-N 431.552 4.526 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1F 1683688429 CPOGKFWTABIYMZ-GHTZIAJQSA-N 449.954 4.586 30 10 IJEE C#CCN1CCC(NC(=O)NCc2cc(Cl)ccc2Oc2ccc(C)c(C)c2)CC1 1683734060 OUAHSCZYRFOGJP-UHFFFAOYSA-N 425.960 4.646 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)CC(F)(F)F 1690182873 HVDLOSONUWXADI-UHFFFAOYSA-N 440.535 4.654 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@]2(CCSC2)C1 1690277437 VYNDPPRUIOXYNQ-FQEVSTJZSA-N 449.418 4.626 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690455785 OJBPLIGSWFVSDL-SFHVURJKSA-N 429.996 4.648 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1690496003 JJRKEBQVSLRMTA-BHDDXSALSA-N 440.636 4.818 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1690503147 RRPKBTMVTUCCJZ-INIZCTEOSA-N 429.927 4.923 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@H]1C 1690572173 VPMVGVAXRZNLFT-QRICJDHISA-N 442.579 4.770 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccoc1 1690682411 OAQZVSOBQPCPHN-UHFFFAOYSA-N 435.915 4.836 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C(CC)CC)no2)C1 1690689975 PAYMJTGDXZAJAE-OAQYLSRUSA-N 446.555 4.538 30 10 IJEE Cc1ccc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1693021488 IYAJNMKABGYJEL-GOSISDBHSA-N 444.583 4.514 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@](C)(O)c2ccsc2)o1 1693047710 BXTOQLHFJUASEH-JOCHJYFZSA-N 427.574 4.582 30 10 IJEE Cc1ccc(SCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1693162864 CFLWEANWYFLODR-OFNKIYASSA-N 425.602 4.751 30 10 IJEE COCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)CCC1 1697804602 IBTNFOBJWNZEJE-UHFFFAOYSA-N 434.371 4.809 30 10 IJEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1698491414 AQNKVKGPPNMFLM-OALUTQOASA-N 432.494 4.688 30 10 IJEE C=C(Br)Cn1c(N2C[C@H](C)S[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1705692248 DCZVAHWJSFRJJF-CALCHBBNSA-N 447.446 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)CCC 1705696645 PQAQKMIRCRHRSZ-LZNRXBQRSA-N 426.561 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1cccc(C)n1 1705720556 GDTSTWQXGUJICJ-FGZHOGPDSA-N 425.621 4.935 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1705736633 YHWAXDKRPVIZKB-UHFFFAOYSA-N 432.355 4.918 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1705765217 CPFOSMXJZDZLRP-UHFFFAOYSA-N 436.556 4.998 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705814006 ZZSYTNZXCJDWHD-HXUWFJFHSA-N 437.519 4.502 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1(SC)CCOCC1 1705856441 SJOXCAJWESWOJQ-UHFFFAOYSA-N 444.645 4.689 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCCOC(F)(F)F 1705872842 NIPQXGBYXOOKRH-UHFFFAOYSA-N 445.283 4.813 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(F)(F)F)c1 1705874747 VQXLKJIEQHHOJA-LJQANCHMSA-N 436.478 4.688 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1Cc1cc(Br)cs1 1705881058 ZNNZUGVIBGDVSF-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](OC)C(C)C)C1 1705920150 RHHWSESOOLJEKS-FGZHOGPDSA-N 426.605 4.695 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(C)C)CCS1 1708871154 CBIDJECBHNBIPU-UHFFFAOYSA-N 440.661 4.659 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(CC(C)C)C1CCCC1 1722462750 XTCTXEXMTJZKQX-UHFFFAOYSA-N 432.584 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCCCC1 1722493297 XTPLWGKZZCOXHL-IPJJNNNSSA-N 428.552 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1722562657 HIKVWZXVESFRJB-JPYJTQIMSA-N 429.012 4.660 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC[C@@H]2CCOC2)CC1 1722576500 JSBMRZSWBXBXOV-QGZVFWFLSA-N 431.378 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1722592101 VBBZUQKTJGGSOC-UHFFFAOYSA-N 447.505 4.922 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722625110 KZOSYHOEBRHROY-AREMUKBSSA-N 449.599 4.727 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1nc(C)cs1 1740538713 ONWALPXSIDJYSO-CRAIPNDOSA-N 430.581 4.828 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1740594211 FIKMSPVLPANDLJ-OAQYLSRUSA-N 444.526 4.604 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOCC)CCC1 1740605013 OVVHYDMQLTVQCD-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCc1nc(C(C)(C)C)cs1 1740634893 HUDWLQSEIGEVTE-UHFFFAOYSA-N 438.000 4.668 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCN(C)C1CCCCC1 1740677909 UZAAVKBEHXBEIO-FQEVSTJZSA-N 425.596 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740757989 YNTMVBUXNKVLIP-ICSRJNTNSA-N 445.007 4.974 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOCC2(CCC2)C1 1740801441 ABGUJAAYYPQWIS-MRXNPFEDSA-N 437.371 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1740845890 FQNNNPQFSVNREL-GOSISDBHSA-N 440.979 4.592 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1740859137 HIXHOMOPMPTCAO-OAQYLSRUSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccccc1OC 1740924584 WOVSDQKSOMNFOB-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740997368 ZCNJXRKNPXLYGF-FXAWDEMLSA-N 448.608 4.728 30 10 IJEE CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)CC1 1741389342 FKPDFLQHLYBOFJ-UHFFFAOYSA-N 448.537 4.573 30 10 IJEE Cc1cccc(-c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CC(C)(C)C(C)C)n1 1742335125 GGAQUDMNQWABME-QHCPKHFHSA-N 444.583 4.780 30 10 IJEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1743368055 HOWSIUNFYLDYQI-AWEZNQCLSA-N 430.002 4.716 30 10 IJEE CCC(C)(C)Cn1c(N2CCN(c3ccc(C#N)cc3Cl)CC2)nnc1C(C)(C)C 1743437710 COMLXZHDPIYCAB-UHFFFAOYSA-N 429.012 4.863 30 10 IJEE COc1ccc(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1748699908 DQXWVQPEUISNHF-KIVTUJJHSA-N 437.588 4.537 30 10 IJEE C#CCCCCn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@H]1CCCOC1 1748729874 DNIQOYHQSSWNSC-LVCYWYKZSA-N 430.980 4.817 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1749023430 VFEJHKZSHDNPGO-IYBDPMFKSA-N 433.419 4.556 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccccc1 1749049643 MVPMIZHLZZZQPT-BHIFYINESA-N 438.641 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCCc1ccc(OC)c(OC)c1 1749072261 KBIPOTGBLYHXLM-AREMUKBSSA-N 436.600 4.653 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CCOC)CCC2)CC1 1749335703 TWCMBAXXVSBSRT-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1749358169 GQLSLOXDERQDLR-UHFFFAOYSA-N 448.615 4.614 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1749547834 XSRDZKMNGDBVKG-OWHZGTRUSA-N 426.580 4.750 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@H]1C(C)C 1749584946 SSLGXTQQCKDBRR-VWNXMTODSA-N 433.600 4.580 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)cc1 1749746912 PTLJNBWCPOIDFK-UHFFFAOYSA-N 429.977 4.558 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CC1 1749754184 GYKKJJZZDWLBMM-IBGZPJMESA-N 449.665 4.548 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)C1 1750378024 DTLDFJAUAPOQIZ-QFBILLFUSA-N 437.997 4.561 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1752606975 GSTDENFRPJQASA-OAHLLOKOSA-N 428.462 4.762 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnc(C)s1 1760225755 XVPBPMFIKUSFTD-MRXNPFEDSA-N 444.004 4.961 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCSCC(C)C 1760228985 ZRNZDOIZETUMHM-UHFFFAOYSA-N 427.437 4.618 30 10 IJEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCC(C)(C)C)CC1 1760265761 IROGYQQJPNCPPZ-QHCPKHFHSA-N 449.643 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760317314 DRFXEDYGWLEABZ-RQGSJKACSA-N 439.560 4.849 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1760346446 ARPOJFQBUDYQJN-UHFFFAOYSA-N 428.024 4.801 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(CC)C1 1760350840 UOJNVONZYKHRPP-OAQYLSRUSA-N 433.394 4.927 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760376619 XIUIHUZYGBZYOT-CRAIPNDOSA-N 429.754 4.781 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)N2CCCCC2)CC1 1760392703 ZZPNBGZUSSTWFT-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1760417283 AOVRWNCERUAIBQ-RBBKRZOGSA-N 437.632 4.893 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC=CO1)C1CC1 1760469692 MPQQFQQBQRXJOT-MRXNPFEDSA-N 433.325 4.694 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1761069408 CWUQTLPPWZIAAM-GOSISDBHSA-N 440.592 4.554 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1 1761354505 GWYKADFSHMFTRK-SFHVURJKSA-N 444.564 4.625 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C(C)C)CC1 1771110230 ICCMRUZCBKLUTN-GOSISDBHSA-N 441.645 4.934 30 10 IJEE Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4oc5c(c4C#N)CCCC5)cc3C2=O)c(C)c1 1859483117 SJKCYUXAVNRSNX-UHFFFAOYSA-N 439.471 4.700 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861198749 VDHRCUCRDBHJAJ-UPVQGACJSA-N 445.623 4.505 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1OCC 1862422864 OWKVGSBVIRDTSW-NRFANRHFSA-N 443.446 4.503 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862437306 ODTIQEQRCSZYQY-IBGZPJMESA-N 444.871 4.578 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 1862474201 LEODQYHWDODXLO-QFIPXVFZSA-N 425.500 4.919 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862539546 YJFAXMLZSNLDNN-BLVKFPJESA-N 434.319 4.515 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1cccc(O)c1 1862589957 XMKYFGVMFIRKIB-OAQYLSRUSA-N 435.863 4.530 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Br 1862600257 QHNUPOYVIJCVSN-LJQANCHMSA-N 444.325 4.779 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1F 1862639207 SUXSHTRHQMMVBH-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2ccc(OCC)cc2)C1=O 1863568954 YFTDMEBFAVPLAD-AWYKWWOESA-N 434.580 4.546 30 10 IJEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3Cc3ccc(Cl)c(Cl)c3)c(C)c2c1 1870111092 XOOPREHZESRJLW-UHFFFAOYSA-N 439.306 4.855 30 10 IJEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(OCC)cc2)cc1 1870143771 AZLAIPOGVQPSNF-UHFFFAOYSA-N 433.512 4.749 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2C)c(=O)cc1CN(CCC)CCC 1870725089 VNEPLUQIOGRUBK-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870813920 KXFDNNDJHUTVFG-UHFFFAOYSA-N 446.425 4.678 30 10 IJEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccccc2C(C)C)cc1=O 1871009250 MBUORSRIDWPLEG-UHFFFAOYSA-N 446.547 4.683 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(=O)cc1CNc1ccccc1 1871160436 QCSWHLYEMZYMNX-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871226085 STGTWEIJYNBHRX-UHFFFAOYSA-N 444.535 4.761 30 10 IJEE Cc1c(OC(=O)N2CCOCC2)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871362859 NRCKDFRPXYKABM-WQRHYEAKSA-N 434.275 4.749 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)COc3ccccc3OC)ccc2C1=O 1871368664 MUDBLFYYZBBDHB-OYKKKHCWSA-N 446.455 4.695 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871432614 DZHSHAFGXIALQW-BDBXIWDTSA-N 425.437 4.630 30 10 IJEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)/C(=C/c1ccccc1Br)O2 1871444679 QCVSSNYBBOJNCQ-MOSHPQCFSA-N 428.326 4.848 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)cc1 1871456417 DBRCKJSBECOSLO-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(C)c3C)ccc2C1=O 1871459684 XPYJCNYWGSBMAG-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1 1872362297 UCRBWAFWBRKTBE-MRXNPFEDSA-N 446.516 4.751 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NS(=O)(=O)c1cc(C)c(C)cc1OC 1872605314 RSAUZLUWXMEOHK-FQEVSTJZSA-N 440.650 4.626 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1cccc(OC(F)(F)F)c1 1872724332 BRSHISGJYOGRBN-UHFFFAOYSA-N 443.450 4.524 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873244220 YVRWGSDAIUTLGD-AWEZNQCLSA-N 447.416 4.929 30 10 IJEE CCOc1cc(/C=N/Nc2oc(-c3cccs3)nc2C(=O)OC)ccc1OC(C)C 1873463227 FLUIRQZIBRWOGO-WSDLNYQXSA-N 429.498 4.822 30 10 IJEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(O)cc1O 1874223728 ADCLQMBXZHHRNI-LFVJCYFKSA-N 440.569 4.648 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)cc1 1874292932 SVPJYKYENHFDEJ-VULFUBBASA-N 449.511 4.574 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)c1 1874309604 FEZBNOVTTHBBDD-JVWAILMASA-N 447.539 4.781 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccnc1 1874393563 QJBUHZWRFFOESF-STPJHCLOSA-N 444.520 4.908 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)c1 1874465898 HKGCNCLLAYGKNA-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874518217 IHKLYIJFDLDNQV-DHRITJCHSA-N 430.537 4.558 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Br)ccc1OCCO 1874589239 AYDAWUSKWWYMCB-HWKANZROSA-N 425.706 4.687 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2)cc1 1875103080 WNJHEFIAGSNQLT-CXUHLZMHSA-N 432.472 4.974 30 10 IJEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875117788 NDPWILNWTMJRIL-WUXMJOGZSA-N 432.388 4.927 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1OC 1875159665 VFHFHKMQKOIIRO-NYYWCZLTSA-N 436.435 4.967 30 10 IJEE COc1cc(C(=O)/C=C/c2cc(Cl)c(OC(C)=O)c(OC)c2)c(OC)cc1Cl 1875172817 MWCWXDSHPOQWGO-AATRIKPKSA-N 425.264 4.841 30 10 IJEE C#CCC[C@@H](CNC(=O)OC(C)(C)C)Oc1ncc(Br)cc1C(F)(F)F 1903150851 BDTLDXMAWIJTSB-LBPRGKRZSA-N 437.256 4.548 30 10 IJEE Cc1cc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)ccc1C#N 1951525468 UOQOTQCSXGKNLQ-HXUWFJFHSA-N 440.499 4.964 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3Br)C2)OC1(C)C 1965478522 AHGOXXMDYSBCHI-GFCCVEGCSA-N 428.563 4.801 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983945439 XTUVORCUBYPQQB-OTWHNJEPSA-N 428.495 4.665 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](Nc1cc(Br)cc(F)c1C#N)C1CCCC1 2107451574 PWHUWNVUZYYNJP-QGZVFWFLSA-N 426.330 4.955 30 10 IJEE C[C@H](Nc1cc(Br)cc(F)c1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2107452428 XPEPIQXNYHBGBF-QWHCGFSZSA-N 426.330 4.907 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181147973 PECGCPHVZSPQDA-IGCXYCKISA-N 436.350 4.541 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(Br)cnn2CC)C1 2183006038 GFIQWDKJBKWDDG-KRWDZBQOSA-N 441.414 4.567 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2235729400 SKQYPJMIYKQBAF-MJGOQNOKSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](N)(C#Cc1ccccc1Br)C2 2235748269 XXWLBQQOKSHJBM-QFIPXVFZSA-N 433.390 4.699 30 10 IJEE Cc1ccc(CN2CCN(Cc3ccccc3)CCC2(C)C)cc1B1OC(C)(C)C(C)(C)O1 2239858493 KARBZBZWSPXMCP-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE CCCN[C@@H](C#CC1CCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2251412410 WLXKCWVKGTVYJA-DEOSSOPVSA-N 427.633 4.575 30 10 IJEE CN(Cc1ccccc1)[C@@H]1CCCCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)C1 2255802016 SXTNGZOVNMINBS-OAQYLSRUSA-N 426.410 4.516 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CCCC3)n(C3CC3)c2)OC1(C)C 2267500834 OYGKNPHAHSEOGR-UHFFFAOYSA-N 434.389 4.707 30 10 IJEE C=CC[C@@]1(COc2ncc(N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2272224879 FRSYIYHTSHKKBP-IBGZPJMESA-N 426.355 4.541 30 10 IJEE Cc1ccc(COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc1NC(=O)OC(C)(C)C 2278715852 ZHKMZRCBINJLIA-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)c1ncc(Br)cc1Br 2278738234 SVJDRIFKXOMUMO-UHFFFAOYSA-N 443.920 4.604 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](N)C#Cc2ccc(Br)cc2)cs1 2278796143 LPGWATUMHSQFCA-SWLSCSKDSA-N 436.375 4.543 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1csc(CNC(=O)OC(C)(C)C)c1 2278810268 VGIDYGJLTDBNRA-GOSISDBHSA-N 435.387 4.848 30 10 IJEE CN[C@@H](c1c(F)cc(Br)c(F)c1Br)C(F)(F)C(F)(F)F 2288557098 GAYNDNOSPFESRK-QMMMGPOBSA-N 432.959 4.948 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CC12CCC(CC1)N2C(=O)OC(C)(C)C 2296218269 CHQXQIQOYXSTIS-PGFLUOATSA-N 433.390 4.711 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296282854 ACTFQDKHAPTDHH-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@H](N)C#Cc1ccc(Br)cc1)C1CCCC1 2296302777 NVVHKVDEDOACDD-UYAOXDASSA-N 435.406 4.849 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2296305384 SVYHQQNXYXBUCS-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE O=C1C[C@@H](c2ccncc2)c2c(ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)O1 2297590562 OOQLCUDDCQIQLX-INIZCTEOSA-N 435.382 4.740 30 10 IJEE COc1ccc(OC)c(C=CC(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c1 2314429517 IVXCIAOWZXLCIU-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317351524 JWANXUNUSJYHAB-IYARVYRRSA-N 430.354 4.503 30 10 IJEE CC1(C)OB(c2cc(N(Cc3ccccc3)CC(F)F)nc(C(F)(F)F)c2)OC1(C)C 2317352946 DINXZPUZJVBHGF-UHFFFAOYSA-N 442.237 4.671 30 10 IJEE C[C@H](CCN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317356402 IVUKCKCQLKCHAH-ABDJAZHISA-N 432.370 4.751 30 10 IJEE CC[C@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317357303 VYZAZQUHXAQKAA-GOSISDBHSA-N 432.370 4.798 30 10 IJEE COc1ccc(CCc2nnc(S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 2322078986 ZTNUXCZCSUNVHV-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCN(CC)CC)C3)C1=O 2322408253 CMMKTKQUBFCJOI-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc(OC)cc(OC)c4)c3C)C2=O)cc1 2322799221 DLGLUVQJHWWZRM-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)cc1 2323840355 QOSUPWXOONIVLX-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNc1nc(-c2ccccc2OC)cs1 2323850859 RVZNSEZIPKWPNQ-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1F 2324107422 YJFPOFLNVMIYJT-SFHVURJKSA-N 433.479 4.987 30 10 IJEE Cc1cccc(C=C2Oc3cc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)ccc3C2=O)c1 2325263444 MCEMDBMLBXHMCY-UHFFFAOYSA-N 445.427 4.965 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2325704855 JLGNZILWHOAHSP-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1c[nH]c2ccccc12 2326868155 XFDKBBNNBMMMFX-UHFFFAOYSA-N 437.525 4.655 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccco2)c1 2328607927 ZDGRGAHQJSAFHE-UHFFFAOYSA-N 436.512 4.979 30 10 IJEE Fc1ccccc1CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccccn1 2328746258 KCTOMDCFRCVTSD-UHFFFAOYSA-N 447.539 4.998 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(O)c1 2328904701 GGTPMFALDAXYOO-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1OC(C)C 2331101203 ZJGHGFWIZJKEMU-UHFFFAOYSA-N 430.574 4.650 30 10 IJEE CC[C@H](NCC[C@H](C)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514334 VFEWKXKZMRYXFQ-OFVILXPXSA-N 436.449 4.937 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2364628977 DJNZHRGOGJXQSP-MJGOQNOKSA-N 439.394 4.805 30 10 IJEE COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc(OC)c(OC)c3)cc1)C2=O 8823866 QMEYXJONCZZXOR-FMCGGJTJSA-N 432.428 4.548 30 10 IJEE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C#N 14650897 OHFLRZQAGILCLL-UHFFFAOYSA-N 446.370 4.872 30 10 IJEE O=C(C[C@H]1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 20522735 HJWRJSQEZLGLPT-LQUAGZSJSA-N 433.508 4.986 30 10 IJEE C=CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OC 21725544 IHAOUGJHMKXVGJ-OAHLLOKOSA-N 432.505 4.530 30 10 IJEE COc1cccc(/N=C(O)/C(Cl)=C(\Cl)S(=O)(=O)Cc2ccccc2Cl)n1 33336577 ZYUQHZNSCVZPGD-PFONDFGASA-N 435.716 4.593 30 10 IJEE C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)C(C)(C)NC(C)(C)C4)c1ccc(C)cc1 33342787 XSAGUYFAUDEGKH-MBTHVWNTSA-N 448.596 4.748 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C(C)C 36316030 WPVDFAKUJMOHSC-QHCPKHFHSA-N 449.595 4.962 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccccn1 169994657 IQNPXSKWVDPRJP-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccncc2)c1 170015074 ZIZKZRDPHQSZAN-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170053013 SBFCXZAOGBWTPD-QFIPXVFZSA-N 447.874 4.750 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)o2)c1 170102917 FFOJTYMYDCRMTN-QFIPXVFZSA-N 435.451 4.557 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)c1 170117894 WWCXJNRXRSNBAJ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170134775 SWCKTXRCXWRYHN-XMMPIXPASA-N 436.467 4.719 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(C)c2)c1 170139708 BDSQZQQAVNAVBM-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)ccc1OC(C)C 170173296 GRGMYWXEVKJCGX-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccc(N2CCCCC2)cc1 170179503 FJCBMVJTNUBNMB-UHFFFAOYSA-N 434.540 4.656 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccccc1F 170249815 RFZCVKRTZSMOJV-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)cc1 170285419 KXYFRQREISJMEI-WNSKOXEYSA-N 445.471 4.785 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302575 PYLHFJHDTOPJLP-QHCPKHFHSA-N 429.472 4.923 30 10 IJEE C=CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 201553077 FYICAVFHXYZRAA-RUZDIDTESA-N 443.499 4.571 30 10 IJEE CCCc1c(NC(=O)CCc2cc3ccccc3nc2O)cnn1-c1cccc(C#N)c1 440090586 UHSDOFHBGPZMDU-UHFFFAOYSA-N 425.492 4.522 30 10 IJEE COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)NCC1CCC(C#N)CC1)CC2 442715904 BZNGNNWLKFIJQK-PVWAMWICSA-N 439.581 4.752 30 10 IJEE CCCc1c(NC(=O)Nc2cccc3c2OCC[C@@H]3OC)cnn1-c1cccc(C#N)c1 448037995 HQRGKSODCYMDDR-QFIPXVFZSA-N 431.496 4.810 30 10 IJEE C[C@@H](Cc1ccccc1F)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 509329803 BEVNRAUTIAHBPH-KRWDZBQOSA-N 447.535 4.789 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 512842835 DCPGZDAFAJQNDQ-XMMPIXPASA-N 425.488 4.902 30 10 IJEE N#Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 526667116 JLBILLAFTBKFJL-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE N#Cc1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 526669160 LVNIJQMLSTZJQQ-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CC1CCN(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)CC1 526688584 IOYMUAKFOOISSX-UHFFFAOYSA-N 437.952 4.821 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccc1O 526820772 GYFPEQLZKUNBJD-MTJSOVHGSA-N 431.359 4.873 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 549250497 WMMFBCZGDTYXFG-HXUWFJFHSA-N 444.482 4.910 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 568667755 DUAGROSAANXUJB-GCJKJVERSA-N 449.020 4.574 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccccc1C 586259253 UJWGWYKFPFXNDO-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE CN(C(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Br)cc1F 608806846 VWZDDYCFTOTZAH-UHFFFAOYSA-N 429.245 4.908 30 10 IJEE Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609257092 SJXBPPPJNMKMTA-UHFFFAOYSA-N 437.858 4.706 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(I)c(Br)c1 721357393 VREANAXMIVCPJR-IAQYHMDHSA-N 448.142 4.918 30 10 IJEE C=CCC1([C@@H](Cc2ncccc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722937714 JBBMVNNRVPCEAN-GOSISDBHSA-N 438.410 4.568 30 10 IJEE CC[C@H](Oc1ccccc1C(C)C)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 733548633 IBSDFXWFTQDNJK-KXBFYZLASA-N 440.565 4.960 30 10 IJEE CC(=NOCc1ccc(F)cc1)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 758145250 VXDMUKUDSWMIQM-QHCPKHFHSA-N 446.482 4.528 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1sc2ccc(F)cc2c1C 920552295 AJNDMYVOHUPSOP-OAHLLOKOSA-N 440.496 4.850 30 10 IJEE CCCNC(=O)C1(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCCCC1 1125712413 FUAPAIIWSMKOCC-UHFFFAOYSA-N 439.943 4.963 30 10 IJEE C=CCOc1ccc(CNC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1 1128766092 WYFKRBNWNRCHJU-UHFFFAOYSA-N 428.467 4.568 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccc1 1134655231 ZQZSHTBELJHSHU-FWUCURJTSA-N 431.513 4.994 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 1136611023 WMNSYILJMJNKJY-ROUUACIJSA-N 434.968 4.802 30 10 IJEE N#Cc1ccc(CCNC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 1147172020 FSUAOLQSGJVCSJ-UHFFFAOYSA-N 435.321 4.872 30 10 IJEE COc1ccc([C@@H](Cc2ccc(F)cc2)NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 1168800244 AENSRPYOMMXUFW-JOCHJYFZSA-N 437.902 4.871 30 10 IJEE CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(CCCC2(C#N)CCOCC2)CC1 1176629073 DOPXCSPXQIXPRZ-UHFFFAOYSA-N 441.616 4.645 30 10 IJEE Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)c1C 1187228612 FEHDJVFRUHDIIF-GOSISDBHSA-N 437.334 4.603 30 10 IJEE C=CCn1c(SCC[C@@](C#N)(C(C)=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 1187994794 KZZKPISDLWXHIF-HSZRJFAPSA-N 437.952 4.769 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccco2)n1[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 1188244695 YQDDTGVOHKXPEI-CADBVGFASA-N 426.586 4.828 30 10 IJEE Fc1cccnc1-n1ccc(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)n1 1201511967 CVLKROPNYSIIEW-MRXNPFEDSA-N 434.315 4.891 30 10 IJEE C#CCN(Cc1ccc(C(=O)OC)c(C)c1)[C@H]1CCOc2ccc(Br)cc21 1204924635 YUUSCYMNEUAWIV-FQEVSTJZSA-N 428.326 4.503 30 10 IJEE COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(C)c1 1208671539 GCMTYGFFGBOFNT-FQEVSTJZSA-N 434.561 4.697 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 1214969800 ASGRTACLXCNPNS-LJQANCHMSA-N 436.512 4.872 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 1216743617 DZCMZEJGFPKQKQ-KRWDZBQOSA-N 431.355 4.860 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](C)Oc3cccc(Br)c3)cc2n1 1220157278 DSFCIZNCKZVJTP-AWEZNQCLSA-N 429.318 4.574 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1221986609 KYNOYVWPYDPBPV-VWLOTQADSA-N 443.588 4.574 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 1223848258 LKGCTWRXSIMLHS-OALUTQOASA-N 425.529 4.825 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1229158103 MULXPOIEHRKRJN-ZCYQVOJMSA-N 448.588 4.666 30 10 IJEE C#CCN(C(=O)/C(C)=C\c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1265210992 YDXRXBVIAMNKRF-TXUZILRVSA-N 428.301 4.977 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC1CC(OC(C)(C)C)C1 1286448971 FOILNVZNCXGMHA-UHFFFAOYSA-N 433.600 4.794 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@](C)(CC)C1 1286498553 JLMDYKPQSXODQW-SBUREZEXSA-N 444.670 4.503 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1286499663 NVAPYGXOXYLPIO-TZIWHRDSSA-N 449.624 4.501 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1286505113 YVBUTKYXKKKKMV-UHFFFAOYSA-N 433.503 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1286578460 ISJWGODMIWVBLW-DEOSSOPVSA-N 437.632 4.629 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635261 NTVMNYBLLPJUNC-KSZLIROESA-N 436.000 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN(C(C)C)C(C)C)CC1 1286654287 FLNDPSJDFCTYAH-UHFFFAOYSA-N 449.441 4.557 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccco1)c1ccccc1 1286677511 CPZWCCBJLYQYMV-CTNGQTDRSA-N 433.556 4.664 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286695524 BRMIQPKPWYDHHS-LJQANCHMSA-N 437.613 4.865 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1286703058 YVJCGINVTPZLFD-UHFFFAOYSA-N 430.980 4.610 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1286775139 FTTAONUDROJIPO-LJQANCHMSA-N 431.378 4.537 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)c2ccc(F)cc2)C1 1286809953 XCLSPLBWKOWNHI-OAQYLSRUSA-N 435.547 4.547 30 10 IJEE C=CCN(CC=C)C(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1290090506 SPWAMJFBNGGVPI-UHFFFAOYSA-N 430.548 4.848 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 1291531336 ARWXUHRESFIMHC-DFBJGRDBSA-N 436.604 4.955 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)OCC 1296822360 CWNURYDNKFXPTR-DLBZAZTESA-N 439.396 4.995 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1ccsc1 1300286215 GFLYIQMXDZKOOL-RNODOKPDSA-N 435.380 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC1CCCC1 1300327313 BFNXAUYAMURDAU-ICSRJNTNSA-N 429.609 4.778 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(C)(F)F 1300509630 QUNCEAHPESZSMQ-KRWDZBQOSA-N 434.918 4.806 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCC(F)(F)C1 1300513227 WJSSFZZPQRTUCH-RBUKOAKNSA-N 444.501 4.846 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)[C@@H](C)CC 1300603946 YWYZQUUYTVWWKJ-XDHUDOTRSA-N 437.613 4.634 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOC(F)(F)F 1300603955 ZAWUWNVNBONWDZ-UHFFFAOYSA-N 449.502 4.763 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1(CC)CCC1 1300638603 SJUUQZCUQJXQIV-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccoc1C 1300897885 VSJXUOMONULPAR-AUSIDOKSSA-N 440.519 4.515 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N(C)Cc1ccc(Br)o1 1300982520 LATWSFMVLDKFRQ-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC(C)(C)C1 1301143258 GOQOEJRDBAUHFO-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301145927 MJSUFJIZZNAOIC-YJBOKZPZSA-N 438.494 4.712 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1ccco1)C1CC1 1301313551 BEHOJKHSGXYQFW-QMHKHESXSA-N 442.947 4.727 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccsc1)N(C)C 1301402576 NPQLDTKIZGGROJ-FQEVSTJZSA-N 427.618 4.768 30 10 IJEE CC#CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1306819513 MTBSENHGFGYGOW-UHFFFAOYSA-N 432.973 4.627 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C)c1noc(COCC)n1)c1ccc(C(F)(F)F)cc1 1312343305 RJDAKOYBTZYMPO-CJNGLKHVSA-N 426.439 4.693 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1F 1312943268 OYAJEXYVLMKQEO-IBGZPJMESA-N 440.733 4.992 30 10 IJEE COc1ccccc1Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N 1315640785 HITONHUWTKXXPJ-CYBMUJFWSA-N 446.374 4.564 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnc(Cl)c1)c1ccc2c(c1)OCCO2 1351531272 ISVMOKJVZJUWFX-UHFFFAOYSA-N 436.895 4.918 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)CCCN1C(=O)OC(C)(C)C 1352903637 AVSDKDHESOEKOA-AREMUKBSSA-N 449.551 4.968 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 1357283724 DMUALBLYDFATES-UHFFFAOYSA-N 427.460 4.874 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCCCCO 1358879507 SJFPMNQUZMNZFM-QGZVFWFLSA-N 426.561 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1CCCCO1 1359001960 IOVJYGREOHAIIL-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(C)(C)C 1359098127 XVVBLYFTJYGIFQ-SIKLNZKXSA-N 434.588 4.594 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCC(F)F)nnc1C1(c2ccccc2)CCC1 1359104778 FUPUSBZEDVAEFN-WIYYLYMNSA-N 430.543 4.821 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359199155 MSYAEDWQEUUCRX-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359229682 QZCFVTLSVLUAFG-JPYJTQIMSA-N 430.980 4.872 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCOC1CCCCCC1 1359260574 ISXCQQGDZWAJKU-OAQYLSRUSA-N 442.579 4.853 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2sc(N(C)C)nc2Cl)cc1 1360081258 GMWXBWJKPWBGIC-UHFFFAOYSA-N 428.901 4.787 30 10 IJEE C=CCC[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(C(F)(F)F)cc1 1435635238 PPPKDFIFHSKMFS-SFHVURJKSA-N 432.442 4.645 30 10 IJEE Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1S(=O)(=O)N1CCCCC1 1435746598 GKOCKVDBHDNPST-UHFFFAOYSA-N 445.610 4.653 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 1436685684 GYHHYYZUEFHAQU-VPUSJEBWSA-N 428.576 4.827 30 10 IJEE CCc1ccc([C@@H]2CCCCCN2C(=O)COc2ccc(C#N)c(Br)c2)o1 1456594948 GWDCGIFDFCSSCA-IBGZPJMESA-N 431.330 4.999 30 10 IJEE CC(C)CCn1c(NC(=O)COc2cccc(Br)c2C#N)nc2ccccc21 1457196531 GLBCDDBJMMKRIE-UHFFFAOYSA-N 441.329 4.734 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)C1 1461143142 WYEDYBVBGCBZLU-CQSZACIVSA-N 441.314 4.670 30 10 IJEE CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1C 1463495098 AHIDWCQQBUABDL-SFHVURJKSA-N 448.544 4.750 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)cc1 1465259570 YBDMEUXUEGFAQK-ZDUSSCGKSA-N 442.368 4.683 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1465406846 MWEKVLJUBPNANM-SFHVURJKSA-N 435.446 4.715 30 10 IJEE C=CCCC(C)(C)NC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1467777605 HOCBJQFHVPDTQQ-UHFFFAOYSA-N 440.554 4.652 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)cc(OC)c1OC 1468362245 VAERAGRRYHBRPR-YCRPNKLZSA-N 432.948 4.661 30 10 IJEE C=CCCC1(CNC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)CCCC1 1468530771 HROKWPMMAFHKNB-UHFFFAOYSA-N 441.597 4.813 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c1ccncc1 1468884302 MURFLAFJUKBWOX-RTWAWAEBSA-N 442.604 4.766 30 10 IJEE C=CCC[C@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1473317235 MXCWWJKPTVZYOQ-SFHVURJKSA-N 432.895 4.803 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)CCCC1 1475878685 WWGXSMZSZAHKIP-UHFFFAOYSA-N 449.617 4.518 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCN(c4ccccc4F)C3)cc2)nc1 1476056495 FMCYRUBDFIDCCL-LJQANCHMSA-N 431.471 4.675 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1477299703 RIEXWGJGPIUBIZ-LSTHTHJFSA-N 437.506 4.803 30 10 IJEE C[C@H](CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N(C)Cc1ccccc1 1477971612 IAWOXQUINJYCPS-LJQANCHMSA-N 432.593 4.997 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(N(CC)CC)cc1)c1ccc(Br)cc1 1478896628 PQXYERRBHGUQLU-NRFANRHFSA-N 428.374 4.811 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1478971470 QWULIIXVWKEJMX-RUZDIDTESA-N 443.522 4.921 30 10 IJEE CCN(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@](C)(C#N)C1)c1ccsc1 1501822856 FOYARZMBEMHPTA-NFBKMPQASA-N 426.634 4.820 30 10 IJEE C#CCCCCn1c(N(C)[C@H](C)c2cc(F)ccc2F)nnc1[C@]1(OC(C)C)CCOC1 1507576491 YHKHTZWVJYQVBK-KOSHJBKYSA-N 446.542 4.598 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1507578044 WPJAOHITXLAHKI-KRWDZBQOSA-N 426.870 4.560 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1507585799 NDKOXYATASZWBD-GOSISDBHSA-N 442.489 4.724 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507671124 ZPGJRHKRHFIFMX-SFTDATJTSA-N 428.502 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1csc(C)n1 1507812135 IWKDAPKVFVQDNZ-INIZCTEOSA-N 429.565 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507814103 JSCDEGVGOYGIEH-VXKWHMMOSA-N 434.632 4.977 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507824292 WTROZAPEIGLOLV-HXUWFJFHSA-N 441.576 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C)CC1 1507923378 SKUZLPHOMVCSGH-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCCCCn1c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nnc1C(C)(C)C 1507936399 AMDDIIIYBNCZSP-UHFFFAOYSA-N 447.986 4.687 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1507939264 OGQXBBPHBDGGGN-PMACEKPBSA-N 429.634 4.633 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1507947693 IKHDNJIPGBVGTA-ROUUACIJSA-N 445.633 4.818 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N(CC)CC)C1CC1 1507988061 IHLMRUZNZJAKOD-CQSZACIVSA-N 438.439 4.654 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@H]1C(C)C 1507999094 IUMGKJAWEKXXCA-VWNXMTODSA-N 444.583 4.789 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(C)C 1507999390 MMIUCHRJLAVILV-UHFFFAOYSA-N 445.615 4.886 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1C1CCCCC1 1508038757 DHDJYUPIJUTUQP-NRFANRHFSA-N 441.595 4.520 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCSC(CC)(CC)C1 1508108813 LZCJGDXQNVDJCM-UHFFFAOYSA-N 426.630 4.956 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCCCC1 1509918171 GGFJSZUUTZIWFF-IBGZPJMESA-N 432.572 4.872 30 10 IJEE C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1520125417 ATVUOLOOCBIQNB-NSHDSACASA-N 446.301 4.989 30 10 IJEE C=CCCn1cc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)nn1 1521445126 MVKLRVLCFLPWPO-UHFFFAOYSA-N 441.369 4.557 30 10 IJEE C#Cc1ccc(CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 1522546980 HYWMYSGJVAHQMZ-UHFFFAOYSA-N 447.332 4.542 30 10 IJEE CC[C@](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)(C(=O)OC)c1ccccc1 1525258847 AOEMNRFSKLOKOE-AREMUKBSSA-N 446.478 4.740 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(I)c(F)c2)C(F)(F)F)cc1 1525856717 YJICHAPTJKBUDH-HNNXBMFYSA-N 448.153 4.872 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 1526199581 ADGYHRJEYLOCLQ-UHFFFAOYSA-N 427.176 4.674 30 10 IJEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCCC1 1528534693 OUAOUDMGRCXDMA-UHFFFAOYSA-N 439.021 4.771 30 10 IJEE COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1530503050 BMPTXIGJVYGGGM-UHFFFAOYSA-N 428.488 4.945 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCc1ccc(C#N)cc1)c1ccccc1C(F)(F)F 1531928281 AODBXTULBYONNF-LJQANCHMSA-N 447.457 4.502 30 10 IJEE C=C(CC)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1536091998 FGDVLCMXVWCYCW-BWKNWUBXSA-N 436.552 4.579 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 1537528306 OOUDQOKEPWGXOC-HNNXBMFYSA-N 434.355 4.726 30 10 IJEE C=CCn1cc2ccc(NC(=O)Cc3ccc(OCCOc4ccccc4)cc3)cc2n1 1538314153 CJVWOFSATHGUDI-UHFFFAOYSA-N 427.504 4.861 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCC(F)(F)C1 1539350474 MVDGTMLVUCBTGN-KRWDZBQOSA-N 432.515 4.637 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1539379383 ONNBYDZCTHEAEE-XLEIFJPLSA-N 447.432 4.537 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC1(C)C 1539623577 MQHPALBCWIMIFD-OXJNMPFZSA-N 430.980 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccsc1 1539665884 IBVGOYZPYUCCQD-UHFFFAOYSA-N 448.596 4.748 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCSC2(C)C)CC1 1539840032 KILOOUPMJHWRPI-KRWDZBQOSA-N 428.602 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1539924744 YGEXJEFZMLTRKG-VWLOTQADSA-N 436.625 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1scnc1C 1539928780 IIHVDHHHGMSFMT-UHFFFAOYSA-N 429.565 5.000 30 10 IJEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C1CCCCC1 1540037707 PIHGUUSZDDYTCD-JOCHJYFZSA-N 426.561 4.542 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1csc(CC)n1 1540047864 NRAOBMXEZYQRGX-GOSISDBHSA-N 425.602 4.919 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@H](O)C1 1540120618 UIAUANZPWXIBGL-SFTDATJTSA-N 436.556 4.599 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(Cl)cc1 1540154269 SYIYLCXCHHBQQE-UHFFFAOYSA-N 446.780 4.926 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(C)nc1 1540194735 YYEFJPQHYFDFOE-UHFFFAOYSA-N 432.355 4.642 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2ccc(F)cc2)C1 1540893469 DLMYBAKNLMQAGV-OAQYLSRUSA-N 440.588 4.829 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCSC[C@H]1C 1540911269 VURAGWSWCQKUEV-CQSZACIVSA-N 439.448 4.569 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)c1nccs1 1540922315 KPJKYFXPOGPNBL-KZNAEPCWSA-N 449.690 4.812 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 1543285390 VHLGRBNQTVUJOX-ICSRJNTNSA-N 436.568 4.985 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1OC 1556982188 ZYLXPIXAXPLYCL-AZICWWPKSA-N 443.490 4.524 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C3CCC(CCCC)CC3)[nH]n2)c1 1557281621 NDHODQHBQCWAQQ-UHFFFAOYSA-N 444.601 4.590 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1561654003 CTUUOGCLAWUZDJ-UKRRQHHQSA-N 439.762 4.589 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccc(CCNC(=O)OC(C)(C)C)cc3)cc2n1 1563300328 KXGAWXQITXECPH-UHFFFAOYSA-N 449.555 4.611 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl 1565063371 MFYBTUPHAOVDIC-UZLBHIALSA-N 426.388 4.776 30 10 IJEE C#C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 1583550350 XTSAZNIJOOPPNP-CQSZACIVSA-N 428.819 4.850 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12)C(C)(C)C 1584733932 XESDFQBPROMZNQ-HSZRJFAPSA-N 432.520 4.705 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccn1)Cc1ccccc1C 1584878107 DZNDNUZSHNQEIK-NRFANRHFSA-N 443.975 4.955 30 10 IJEE COc1cccc([C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)N2CCCC2)c1 1586838917 DZOAFPYBSICKED-DEOSSOPVSA-N 441.531 4.926 30 10 IJEE C=CCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1586901867 VHLRVGXYTJUBLO-UHFFFAOYSA-N 437.359 4.791 30 10 IJEE CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1587190637 BYIWMDBNKLAKCO-KRWDZBQOSA-N 441.915 4.745 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CC(=O)N(c3ccc(CCC)cc3)C2)C(F)(F)F)cc1 1587315398 MQQHGZMVCAXYNH-KNQAVFIVSA-N 429.438 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCC[C@H]1OC 1587662176 LWLACPOATZIGNW-NNMXDRDESA-N 445.007 4.525 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(CC)C1CC1 1589151253 VQJSFKJRMVNMPL-QFQXNSOFSA-N 435.616 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1589250886 DFDRORUABKUCFC-QUURXOELSA-N 438.641 4.932 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1593678107 XSTSLSBFFNUJHS-GOSISDBHSA-N 430.618 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1594461327 QGPVAYXGFJMVIM-UHFFFAOYSA-N 437.613 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1594473151 NIDAWDDURQPKNB-JOCHJYFZSA-N 429.572 4.766 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1594744176 KUFYPRPLPDYNOI-UHFFFAOYSA-N 449.624 4.604 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1594829090 CHOQOORNQYPAFZ-HSZRJFAPSA-N 444.670 4.805 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1Cc1ccc(OC)nc1 1595149010 HAIYBYRSIZGPGV-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(C)C)CC2)c(C)o1 1611902944 DEVSJZIGPIPMDN-SANMLTNESA-N 447.583 4.807 30 10 IJEE C=CCOCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 1613096363 ASGKCSHXNZFPBC-XDHOZWIPSA-N 444.940 4.994 30 10 IJEE Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)s1 1613913393 UZSQVNBYKVYNJN-HMNTXPNISA-N 425.535 4.658 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 1616817754 JYVVLPFJDPATDQ-HKBQPEDESA-N 428.517 4.788 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1OC 1617065718 KQVQZCRGLPDOFJ-ZAHGZRRWSA-N 448.485 4.711 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1cc2ccc(C(=O)OC)cc2o1 1617120347 WTYWJJTWGIFCSR-UHFFFAOYSA-N 447.409 4.776 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1 1618572991 JFORCDOJKXTCPD-HNNXBMFYSA-N 428.945 4.697 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1625567207 DWOHRWDYRHCICF-UHFFFAOYSA-N 427.526 4.564 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C)n(-c2cnn(C)c2)c1C 1626742303 FICRZJFYDLIHFR-UHFFFAOYSA-N 439.519 4.839 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(Br)cc1C 1632385900 NBVQFACEYYLUTM-AWEZNQCLSA-N 429.742 4.656 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCC[C@H](c4ccccc4)CC3)ccc2c1=O 1639589725 SXBNZVRHSJKWJI-ICSRJNTNSA-N 433.577 4.718 30 10 IJEE C#C[C@@H](NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 1641283289 OUHLXTOOBCQGJZ-JWQCQUIFSA-N 431.507 4.955 30 10 IJEE C=CCN(C(=O)CN(C)Cc1ncccn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1644308152 AZJFWEOZAWPIJV-UHFFFAOYSA-N 448.379 4.558 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(Nc3nc(C)cs3)c2)CCCN1C(=O)OC(C)(C)C 1645118961 ZWGAMTWHCJTSKO-HSZRJFAPSA-N 440.569 4.927 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)C(=O)OC)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1652384365 DAJGEAUGZHTHHF-HIFRSBDPSA-N 447.626 4.566 30 10 IJEE COc1cc(CN(C)Cc2ccc(CN(C)C)cc2)ccc1OCc1cccc(C#N)c1 1653138469 BQJTXRNJLVPIAT-UHFFFAOYSA-N 429.564 4.839 30 10 IJEE C=CCn1c(SC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nnc1-c1ccc(OC)cc1 1656025846 VLNYXUWNRUFCJI-AEFFLSMTSA-N 444.601 4.735 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2oc3ccccc3c2Br)cc1 1657965528 BBDPCOPBQLPSPU-UHFFFAOYSA-N 435.343 4.614 30 10 IJEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCC1CCCCC1 1660260873 NACRSUWASSMETF-IBGZPJMESA-N 440.403 4.508 30 10 IJEE C=C(C)CN(CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1665087168 FMFITKJXMJPDTP-UHFFFAOYSA-N 445.585 4.939 30 10 IJEE C#CCOc1cccc(NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C(C)C)c1 1669079661 YIWFULJAUKEXGF-JOCHJYFZSA-N 432.520 4.534 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)cc1 1671013950 AGHDFCDIXHTYKR-QRWLVFNGSA-N 433.346 4.589 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCOc1ccc(OC)cc1 1672209826 KUCHWSPEUUBMGB-UHFFFAOYSA-N 435.318 4.613 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(Cl)c1 1675173308 NUBSECUFLXRULR-AWEZNQCLSA-N 435.833 4.526 30 10 IJEE C=C[C@H](COC)NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1677561416 BLWMVOSEOFADAD-OAHLLOKOSA-N 425.476 4.953 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 1678432808 NVIBDTOSDMEMRU-INIZCTEOSA-N 433.320 4.920 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1678849660 FCAZECPMTMBKGP-LPHOPBHVSA-N 425.520 4.965 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@]1(CO)C[C@@H](OCC)C1(C)C)c1ccc(C(F)(F)F)cc1 1680854282 DRVJEHHDZWOBFD-WAOWUJCRSA-N 428.495 4.578 30 10 IJEE C#C[C@H](NC(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 1682275603 VVMBULNVIGRWCB-KRWDZBQOSA-N 441.247 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1CCC[C@H](C)C1 1689831688 PLMVIGLXRTVXNA-VXKWHMMOSA-N 433.644 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(SCC)c1 1689865676 ZRHMRZCMYDSJFW-GOSISDBHSA-N 437.638 4.892 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1690157374 FHTMZZVKMKSHCN-HLIPFELVSA-N 431.005 4.817 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1ccnc(SC)c1 1690270220 XXKJWEWQPQXOPH-UHFFFAOYSA-N 432.597 4.849 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H]1CC=CCC1 1690309810 LBUGSIMCXCDOKD-FQEVSTJZSA-N 433.556 4.985 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1690320571 XGKLBLTUKBJJKQ-LNRXMEIDSA-N 430.637 4.948 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1690347419 DNXSCXBEXMRNAT-LJQANCHMSA-N 430.911 4.539 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCCCCC2)CC1 1690430565 NRBLHCWVSNSCTK-QHCPKHFHSA-N 443.680 4.867 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690456062 ULUGUMDJNOYBFC-UHFFFAOYSA-N 435.572 4.742 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1690502906 JSIFAURPWUONCQ-UGKGYDQZSA-N 426.605 4.839 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1OCC[C@H]1C 1690556021 LBHSKKZUCWCSLQ-XMSQKQJNSA-N 438.597 4.557 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H](C)c1nccs1 1690556443 XGNOZIHECAAFEW-SFHVURJKSA-N 446.580 4.802 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1690581841 ZQDDSHJXDIEFIQ-JJTGBXKASA-N 434.632 4.808 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1C 1690609672 WTBKTGVSBJNFNC-IEBWSBKVSA-N 425.602 4.898 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCc2ccccc21 1692346558 IBSPDRBTRHGJDK-NRFANRHFSA-N 431.588 4.565 30 10 IJEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)c2cccs2)c1 1693217742 CNSJLFFRMPKULB-QHCPKHFHSA-N 439.560 4.647 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC[C@H](COC)C1 1705524421 LQLSVUVXHNWZAY-MOPGFXCFSA-N 430.980 4.738 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC2(CCCCC2)C1 1705526566 MMWSOTLFMYHXFM-UHFFFAOYSA-N 448.434 4.705 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](CCC)OC 1705577729 RBFWCKWVZQCXEM-FQEVSTJZSA-N 436.556 4.701 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1Cc2cccc(Br)c2C1 1705663909 SCAPFEUEHGASDH-UHFFFAOYSA-N 445.430 4.660 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705690634 COOXTXVKHCGPHP-IAGOWNOFSA-N 449.368 4.921 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(F)(F)CC1 1705705508 IIRUQOYXUVXABF-RBBKRZOGSA-N 430.543 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 1705707154 GBCGJIXQDMNKEB-LJUYRKFLSA-N 430.637 4.803 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCOC2(CCCC2)C1 1705745302 GFXXGYJYIYLUEB-LJQANCHMSA-N 430.980 4.937 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCCC2)CC1 1705777229 AGQVYDPBTLBDJF-UHFFFAOYSA-N 448.409 4.523 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1705779551 NFBCHVXTVKJZFR-UHFFFAOYSA-N 429.446 4.531 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1705803182 HXNBZRJEXMDJSU-UHFFFAOYSA-N 435.616 4.920 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCSC(F)(F)F)C1CC1 1705858762 VJGLWOTVJNVFSG-UHFFFAOYSA-N 426.508 4.882 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CC(F)(F)C1 1705859598 VMRRUPUUDJKNCR-QHCPKHFHSA-N 446.542 4.557 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1(C)CCCC1 1705877760 CWICQIJEKLDTOY-UHFFFAOYSA-N 432.616 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(C)(C)C 1722294211 PVVDRONVQBRFNY-SFHVURJKSA-N 434.588 4.520 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1c(C)noc1C 1722346270 VPDSODVVBOPMIB-SFHVURJKSA-N 441.963 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)C1CC1 1722504208 FWYNJULTNQXFFK-DEOSSOPVSA-N 437.613 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CSc2ccccc21 1722515427 RPQAQJOSDJKARJ-KRWDZBQOSA-N 425.627 4.926 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1722525800 IXJSZYKVQMWANO-GUDVDZBRSA-N 442.608 4.663 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cccnc2OCC(F)F)CC1 1722562921 QPMLRLJKZLDIKZ-UHFFFAOYSA-N 445.901 4.842 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722581593 DXOOVBDMDHUUJX-GMAHTHKFSA-N 449.643 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC=C(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722593199 JZEBGEFZIRRGGX-KDURUIRLSA-N 429.609 4.808 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1722595106 UCCCGYWXCUJFSX-JOCHJYFZSA-N 427.556 4.553 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722613130 UELYASYIAZTHCB-NQIIRXRSSA-N 439.604 4.823 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccc(F)cc2F)CC1 1722645051 YSMGIIVBGFJOCS-YLJYHZDGSA-N 430.543 4.829 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)C[C@H](C)S1 1726722060 CJPLDEIYIIAOBS-ROUUACIJSA-N 427.618 4.885 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1727758582 FUQKJOOJSHDKJS-RXFWQSSRSA-N 434.632 4.954 30 10 IJEE CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1Br 1728028667 FFJIKOQHSPZDET-UHFFFAOYSA-N 430.375 4.925 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1740587611 PNEAWNPECWJHKY-VWNXMTODSA-N 429.568 4.666 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCc1nc(C)c(C)s1 1740677968 WEFBMOWZHDMJDO-UHFFFAOYSA-N 449.555 4.941 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCc1csc(C)n1 1740678707 IDTUHLUQBZSYDX-UHFFFAOYSA-N 437.588 4.797 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1740738466 IBAHFKWXFGKPIY-NVXWUHKLSA-N 432.366 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CC1(SC)CCN(C)CC1 1740770929 LTFXECDUXQUKBE-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740779301 ZMZOJPUAQJLLTP-WOJBJXKFSA-N 444.023 4.960 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740785622 QGMNQAUHBAFCNV-QAPCUYQASA-N 437.371 4.745 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1740843701 NVRNNEAYVYXBPG-FQEVSTJZSA-N 437.588 4.501 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 1740855372 UXNRCBJTXZSTST-QHCPKHFHSA-N 437.632 4.845 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1740856158 QUWCZWIHARPSJM-FQEVSTJZSA-N 449.565 4.911 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCCN(CC(F)(F)F)CC1 1740862920 IRINNFADZBUDLP-UHFFFAOYSA-N 435.538 4.608 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C(C)C)CC2)C1 1740972988 PJODVINVBPSORZ-NQIIRXRSSA-N 428.552 4.775 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1csc(CC)n1 1748651876 SRQLXDXNVRCOHY-HOTGVXAUSA-N 439.654 4.851 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1748709408 UIYHULCKCHMYNY-QFIPXVFZSA-N 445.592 4.867 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1748710313 MEMJFXWWMJKFHG-LJQANCHMSA-N 443.636 4.869 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1748734229 CANWIIFQDHWCDH-GOSISDBHSA-N 442.361 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCC(F)F 1749059274 ZTBWERHZIHGPSW-JOCHJYFZSA-N 434.556 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCSC1 1749078501 LCEFLRKQAQSPJV-KBMIEXCESA-N 438.641 4.900 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCc2c(F)cc(F)cc2C1 1749089695 CWDPDDDWDKPUOW-UHFFFAOYSA-N 435.272 4.596 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749184177 KMOYVZKOZPJTPQ-UHFFFAOYSA-N 441.988 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(=O)NC(C)C 1749356134 XVUHBLFJFOMATB-KRWDZBQOSA-N 443.661 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749357014 GPMVNVCIEXIMFG-IEBWSBKVSA-N 444.023 4.882 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1749368135 BQSZBDHQIAPZPT-UHFFFAOYSA-N 429.653 4.744 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1749375973 MYYGNBJMZLXFBZ-UHFFFAOYSA-N 442.604 4.862 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1749381622 FUBODMRLBCVCDE-RLWLMLJZSA-N 448.615 4.680 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1749416007 SGGCLMQKTQRCEQ-HNNXBMFYSA-N 440.336 4.874 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCc1cccnc1 1749528432 PFIWNHCKUPKJJU-UHFFFAOYSA-N 429.524 4.685 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1cc(C(C)(C)C)no1 1749539085 SKJPVNDRUYPHIX-UHFFFAOYSA-N 428.540 4.867 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC[C@@H](C)C2)C1 1749719273 RMEFSJCQQCBKOF-VAMGGRTRSA-N 442.629 4.797 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cn2ccccc2n1 1760106934 PNMKVWFBAOHCJP-OAHLLOKOSA-N 439.350 4.600 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@@H]1CC 1760138254 VDKGGRHCSMETDD-CTNGQTDRSA-N 443.636 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCCN1CCCC 1760230994 RILBOPJTSQTMHM-JOCHJYFZSA-N 430.600 4.607 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C)C1 1760285689 OKASCUMYOZIVIK-IBGZPJMESA-N 426.630 4.757 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@@H]1C 1760304062 HWYOFMOXOUKCDL-AAEUAGOBSA-N 440.183 4.851 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(F)(F)Br)CC1 1760391351 ZSHNGJBDFHRBIP-UHFFFAOYSA-N 431.712 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760409502 WRTSHGHDNDUXGM-UHFFFAOYSA-N 444.023 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760416043 SLHVAIUUZMINGH-LAUBAEHRSA-N 428.552 4.602 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(=C)CC1 1760425867 XSLKSEKHXZSZKI-FQEVSTJZSA-N 429.609 4.905 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1760441221 ATXZTDVUNVHFJB-FQEVSTJZSA-N 444.004 4.831 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CCC(C)(C)O)C1CC1 1760470025 UNMUQUYFZXKNHB-UHFFFAOYSA-N 439.785 4.677 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)CC[C@H]1C)C(C)C 1760490558 ZRNFXFZKRADLEM-ODAXIHTASA-N 429.653 4.843 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCS1 1761357546 FBWQBZYCBVWPMK-OLZOCXBDSA-N 440.436 4.793 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)C1 1762821934 BBXCRQLYXJOUJI-NFBKMPQASA-N 434.632 4.954 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](F)(C#N)C1 1765081991 ASAFWAZEICOWCC-ULYRPOKDSA-N 433.478 4.815 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCc1sc(C)nc1C 1771457586 AGTCKYWQFAWJMS-OAHLLOKOSA-N 440.642 4.711 30 10 IJEE CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2)cc1 1859418353 VEBLPQLVKKLQMX-UHFFFAOYSA-N 435.487 4.681 30 10 IJEE CCc1cc(Br)cc2c1O[C@@]1(C=C2)CCN(c2ncc3c(c2C#N)CCC3)C1 1859827888 AADZVJVTZPKZKF-QHCPKHFHSA-N 436.353 4.822 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OC)c(OC)c1 1862385937 BMJQTQKLGCESEE-SFHVURJKSA-N 436.291 4.609 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)cc1 1862457796 YJGYTVAPWHFWAM-CECALHEMSA-N 445.437 4.967 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(O)c1 1862489593 CWGPUFMIIGEOFQ-XMMPIXPASA-N 443.499 4.796 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503105 PRCQIUSWYKTZLI-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(O)cc2)cc1 1862614043 WLQWQQCOFYZWOR-QHCPKHFHSA-N 442.515 4.863 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862637656 JFKDTGMDMPQWON-HSZRJFAPSA-N 446.478 4.570 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(O)c1 1862652446 ITZYADYBJYXWLZ-CMJOXMDJSA-N 431.488 4.931 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1862678676 UKUUFKQWEOEJCX-HSZRJFAPSA-N 433.479 4.984 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1Cl 1862744761 UJMBLZZKWSHEOP-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1ccccc1F 1862747285 OMZNFACXFWLCEM-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(F)c(F)c2F)C1=O 1862776841 JATNWELNKLGKRN-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cc(C)ccc3C)C2=O)cc1 1863336497 HHVACQJJTWZZKL-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE O=C(C[C@@H](CNC(=O)C(F)(F)F)c1ccccc1)Nc1cccc(C(F)(F)F)c1F 1865983426 OJNQJGGEOFRMOC-LBPRGKRZSA-N 436.327 4.635 30 10 IJEE COc1cccc([C@@H](C)CC(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)c1 1867111644 AUZSOWDISARDPI-BVZFJXPGSA-N 427.504 4.557 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)c1ccccc1 1868905359 DTWICMHTFLBRCR-DEOSSOPVSA-N 445.588 4.801 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccncc3)C2)nc(-c2ccc(C)cc2)n1 1869171034 AXKFUZYYHWLCEQ-QHCPKHFHSA-N 427.552 4.603 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2Cl)c(=O)cc1CN(C)CCO 1870340483 KUTZNDPKCIVBOO-UHFFFAOYSA-N 435.008 4.865 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1sccc1C)C3=O 1871348329 FGXRWCXWOLLCIQ-STZFKDTASA-N 426.582 4.947 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(C)(=O)=O 1872203328 ATUGBMHLTDLUDK-JOCHJYFZSA-N 446.638 4.560 30 10 IJEE CCCOc1ccc(-c2csc([C@H](C#N)C(=O)c3cnc(C)cn3)n2)cc1OCCC 1872766628 IVEIMXYENFLMKR-QGZVFWFLSA-N 436.537 4.976 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872775611 VOCZWYSTRKHANG-HFTQHKIXSA-N 436.464 4.634 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2cc(F)cc(F)c2)C1=O 1873109508 RRIJRVHSPGTCPC-UHFFFAOYSA-N 436.543 4.812 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2cc(F)c(F)cc2F)C1=O 1873239737 WFSOFDMGXVHDLE-UHFFFAOYSA-N 430.426 4.579 30 10 IJEE CCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421950 YIBPTRZIMOUOQW-UHFFFAOYSA-N 438.531 4.958 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)c(Br)c2)[nH]1 1873469960 QAXUCCPJZVCUSH-UHFFFAOYSA-N 435.329 4.650 30 10 IJEE C=CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N(C)Cc3ccccc3)ncnc21 1873591469 LZEZJWXMVKAMJR-UHFFFAOYSA-N 445.954 4.837 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2c(NCC(C)C)ncnc21 1873603213 YQNMXWRVNNXUEN-UHFFFAOYSA-N 432.572 4.928 30 10 IJEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCCC)C12CCN(C)CC2 1873885975 BPXPWSDCUAWKOB-XMMPIXPASA-N 441.660 4.967 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c1 1874217094 UXJRPGZQZNOBFI-FOKLQQMPSA-N 446.960 4.749 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2C2CCCC2)c1 1874458114 XNVDMFWULFMACL-WGOQTCKBSA-N 433.581 4.535 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)(C)C)cc1 1874487013 VMZMBVRRMPGDSI-BFTFCADCSA-N 435.597 4.736 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(C)C)cc(OC)c1O 1874509035 IBFAYBRLFXPKPM-FSJBWODESA-N 426.542 4.607 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(C)C 1874509897 AYFQDYCUPGQYIZ-WYMPLXKRSA-N 444.532 4.741 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1874633731 RKYPKRLOLLCGJH-CSKARUKUSA-N 445.943 4.809 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCSC)c2)cc1OC 1874694037 IVLOIKKOESTBPB-JXMROGBWSA-N 430.522 4.657 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC(=O)C(C)C)c(OC)cc2Br)cc1 1874697130 UPDWRIZFRGABDY-JXMROGBWSA-N 433.298 4.924 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OC)c2)c(OC)c1 1874714126 FRYIZPBSBKOHSI-SDNWHVSQSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1F 1875152159 GQXCQWKXOILYHN-PKNBQFBNSA-N 436.435 4.967 30 10 IJEE C#Cc1c(F)cc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 1903072538 MGCZSBBRSLAEPG-OAHLLOKOSA-N 446.453 4.812 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CNC(C)C)c1Cl 1914945840 CYAAQAXMLXNEMD-UHFFFAOYSA-N 427.397 4.868 30 10 IJEE Cc1cc(C#N)cc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951522492 VYYOXZPGMCUHOV-FQEVSTJZSA-N 440.499 4.964 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(C1)CN(c1ccc(C#N)c(Br)c1)C3 1965685871 MOMKJVXTYMKBQP-OYRHEFFESA-N 432.362 4.548 30 10 IJEE C[C@@]1(C2CC2)CSC(=Nc2ccc(I)cc2Br)N1 2029954953 RIEWLIVZEUHKFX-ZDUSSCGKSA-N 437.144 4.546 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077975070 GFSRCYWWEUVBRM-VJBWXMMDSA-N 446.632 4.524 30 10 IJEE CCc1nn([C@@H](c2ccc(OC)cc2C)C2CCC2)c(I)c1C#N 2079843305 FBBGXRDQBSLGOE-GOSISDBHSA-N 435.309 4.628 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1F 2102880365 OBHZHFGCJAOZAP-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1C#N)c1cccs1 2124723989 LLCOXVCTOLSGPQ-OAHLLOKOSA-N 436.331 4.587 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2c(F)cc(Br)cc2F)C1 2126683930 DTEQERRRGOLGQB-INIZCTEOSA-N 431.321 4.849 30 10 IJEE N#Cc1cc(Br)cc(N[C@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)c1 2156296693 QCWHCTICBVKIAB-YADHBBJMSA-N 426.358 4.556 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)cc1OC 2165551617 PCQISMBHEKJAHK-KRWDZBQOSA-N 440.382 4.601 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(F)cc(Br)cc1F 2170705479 RJKGFACOWLLFTG-MRXNPFEDSA-N 446.336 4.871 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2N1Cc1ccc(Br)cc1C#N 2174596469 GYOIYYWKJUMUGP-MDASCCDHSA-N 434.378 4.588 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2201017741 VBLVMKZCRJBNMF-MOPGFXCFSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2218413054 AGJWKVSBIUXEDU-JKSBSHDWSA-N 448.568 4.853 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2232467224 NEJDIJRWCMFGDK-MAUKXSAKSA-N 441.414 4.574 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2235749942 PNLPYMGNPNAKPN-MSOLQXFVSA-N 435.406 4.814 30 10 IJEE C[C@H]1[C@@H](C)N(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)C[C@@H](C)N1Cc1ccccc1 2255534125 CKLBQKHTRQCPAB-HSALFYBXSA-N 426.410 4.513 30 10 IJEE COc1ccc(Nc2cccc(Br)c2C#N)cc1I 2265800538 NEIIQPDUECGXGJ-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCCN)CCOc2ccc(Br)cc21 2293322119 KXHOBDNHGRIRPE-JOCHJYFZSA-N 432.358 4.565 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296221062 FJQSBIYBEWABDD-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@@H](O)C#Cc1cccc(Br)c1 2296233477 YAVDKZLNHCKNLW-FQEVSTJZSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@H](N)C#Cc3ccc(Br)cc3)C2)C1 2296296459 NWJQUMDGNLPUBT-IMYXXEESSA-N 433.390 4.555 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C 2296301721 YFYHQAIGLAJNRE-WOUAJJJCSA-N 435.406 4.670 30 10 IJEE O=C(CCSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1cccc(Cl)c1 2313800459 GBIXQWAPVFLZNL-UHFFFAOYSA-N 426.933 4.690 30 10 IJEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317350817 YMKTWBWMJVWZAC-GOSISDBHSA-N 431.386 4.687 30 10 IJEE C[C@H](CCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317355974 YRTRMOCQGRAHJG-TUQDCPSNSA-N 432.370 4.798 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(OC)cc3)CO4)C2=O)cc1 2321944927 OFQYMMUELUGZER-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE COc1ccc(CCc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2)cc1 2322078767 ADZMJDNBHZKATL-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cc(OC)c(OC)c(OC)c2)C3=O)C1 2322368897 YOSYVJGJPIBZBK-AWEZNQCLSA-N 439.508 4.587 30 10 IJEE CCc1ccc(C=NNc2cnn(-c3ccc(Br)cc3)c(=O)c2Cl)cc1 2322617274 NYKRMDDTUNBVID-UHFFFAOYSA-N 431.721 4.657 30 10 IJEE O=C(C=Cc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2323149478 DNTYNIOUNZALEQ-UHFFFAOYSA-N 444.962 4.856 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1OC(=Cc1ccco1)C2=O 2323282899 CPENWXGQSGLQSR-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2324474137 UEMVZAOLJASAIM-MRXNPFEDSA-N 433.460 4.927 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2325575174 ATPAFVGGHSIPCQ-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)cc3OC)c2)cc1 2325761749 LKSQJKUSHPJTHT-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(OC)c1OC 2326514658 JHGCVKJPZCJGDE-UHFFFAOYSA-N 446.960 4.830 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2327383564 ZWNKMPNKRAABDZ-UHFFFAOYSA-N 437.525 4.878 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)c1 2327470793 SNJNVZPPURSUQC-UHFFFAOYSA-N 440.475 4.945 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)C=Cc2ccccc2OCCC)cc1 2328888174 FSJYBKXKFHMPHD-UHFFFAOYSA-N 434.536 4.978 30 10 IJEE C=CCSc1nnc(CC2CCCCC2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330277589 ZDZMGNITSWEYHM-UHFFFAOYSA-N 430.574 4.587 30 10 IJEE C[C@@H]1Oc2ccc(C(=NOCc3ccc(Br)cc3F)C3CC3)cc2N(C)C1=O 2330342606 VAUKKRXCCNXXCM-LBPRGKRZSA-N 447.304 4.663 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(C(C)(C)C)cc1 2330738589 FUXZHOKTRSNOQF-UHFFFAOYSA-N 435.597 4.695 30 10 IJEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2nc(O)c3ccccc3n2)c1 2330862793 LEUFTAHKJXLBBI-UHFFFAOYSA-N 446.580 4.998 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2F)c([N+](=O)[O-])c1 2331066146 PDRWHESNHHRVCK-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cnc(C)cn1 2331510352 ZOAUGVJIOWWMCY-UHFFFAOYSA-N 426.831 4.701 30 10 IJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(I)c(Br)c1 2339576436 IDSBPUADTOXLCB-WFASDCNBSA-N 432.143 4.754 30 10 IJEE CCN(CCC(F)(F)F)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377290703 JHDSVYVXKPPRFX-UHFFFAOYSA-N 436.121 4.523 30 10 IJEE C=CC/N=C\C1=C(Sc2ccccc2)C2=C(CC1)[C@H](C(=O)OCC)[C@H](NC(C)=O)S2 9943246 YHDZICAALBNHPU-FPSAGYTBSA-N 442.606 4.726 30 10 IJEE CN1CCN([C@H]2/C(=N\C3CCCCC3)N(c3ccccc3Cl)C(=S)C2(C)C)CC1 22938514 PHFWHRMVACZCDR-MEQARESCSA-N 433.065 4.861 30 10 IJEE Cc1ccc(C)c(N/C(=N\C(=O)c2ccc(C)c(F)c2)NCCc2c(C)nn(C)c2C)c1 32973582 LDRAETXANBVQOY-UHFFFAOYSA-N 435.547 4.542 30 10 IJEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccccc1OCC 40219778 RYBPBFKBOHMXBZ-UHFFFAOYSA-N 435.568 4.919 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3ccccc3F)s2)cc1 109887949 GESIEAVPGKMEII-SFHVURJKSA-N 437.521 4.580 30 10 IJEE N/C(=N/O)c1ccc(CNc2cc(Br)ccc2Br)c(Cl)c1 163222739 QOOOFMMQVVDMBB-UHFFFAOYSA-N 433.531 4.572 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccc(C)c2)c1 169973014 YMJHZMWQHXHORK-NRFANRHFSA-N 448.544 4.855 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 170064944 ANHPNNOCUBQXSM-HXUWFJFHSA-N 431.891 4.873 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)c1 170117625 VCUWTXZHVBPTOT-DEOSSOPVSA-N 449.547 4.577 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 170135286 LNRWYGKMPOFSKS-XMMPIXPASA-N 436.467 4.719 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)ccc1Cl 170167915 WAYMOBKKVFFSCT-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)c1 170169722 RETLDSKUEBXMMU-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccn2)c(C)c1 170175674 SAGUGOVIIAOFEQ-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccccc1C 170277394 AIABVAASEGEOPZ-QHCPKHFHSA-N 434.536 4.592 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)o2)c(C)c1 170311104 ZVQOFLUOIFMQPS-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170362226 MHRKDSAZRRKGKQ-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE Cc1ccc(NC(=O)c2c(N)n(N=Cc3ccccc3)c3nc4ccccc4nc23)cc1C 254480645 BGRSSKPYOBDICT-UHFFFAOYSA-N 434.503 4.918 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 460935550 KEAXJTNRRQEFCR-JOCHJYFZSA-N 434.588 4.806 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(c2nccs2)CC1 508728945 GHVPFEHGGGKNLA-KRWDZBQOSA-N 439.585 4.843 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508902966 MUFWOPFQLAZVJB-UHFFFAOYSA-N 435.535 4.940 30 10 IJEE Cc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)ccc1NC(=O)c1cccs1 533963805 XZNUVTDWLDIMEV-UHFFFAOYSA-N 428.564 4.942 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(N(C)C)c2C)nnc1-c1ccc(Cl)cc1 538351541 DJJKTDNEFZIAHB-UHFFFAOYSA-N 441.988 4.890 30 10 IJEE COc1ccc(S(=O)(=O)N(CCC2=CCCCC2)Cc2ccc(C#N)cc2)cc1OC 586175685 ZVVDFXOUNSTHKA-UHFFFAOYSA-N 440.565 4.657 30 10 IJEE CCCCCCCCC[S@](=O)CC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 586344635 BAMDURNGQZTBFW-LJAQVGFWSA-N 434.627 4.952 30 10 IJEE CC(C)Cn1c([C@H](C)Oc2cccc(Br)c2)nnc1N1CCC(C)(C#N)CC1 619848605 LLEJJLOUIVHDHT-INIZCTEOSA-N 446.393 4.967 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 730871083 BMCGOOHPNHHWTN-NMNUPHIUSA-N 442.515 4.830 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(Br)c1 731071144 PRKFNELHPCNSAG-NSHDSACASA-N 439.356 4.558 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(OCc2nc(C(C)(C)C)no2)cc1 741589982 WKUBNEIQVCJMOU-QFIPXVFZSA-N 449.507 4.827 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 744839144 HDRHMHXFLHYDDI-BFUOFWGJSA-N 435.307 4.839 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 744840217 NRFKTOTYWRADAH-DGGJZMOXSA-N 434.492 4.517 30 10 IJEE C=CCc1cc(CNC2(c3ccc(Br)cc3)CCOCC2)c(O)c(OC)c1 754722050 AWRFGMAFXRMNOK-UHFFFAOYSA-N 432.358 4.687 30 10 IJEE N#C[C@@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1ccc(F)c(F)c1 786573108 VETAXHUSKWGWEX-QDECMSLZSA-N 442.771 4.589 30 10 IJEE CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)SC1=Nc1ccsc1 790741121 GJUUEWYVSFELLS-INIZCTEOSA-N 437.974 4.780 30 10 IJEE N#Cc1ccnc(N2CCC[C@@H](OC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)C2)c1 791983592 RDAPIIVBSXEIRT-AUUUKSDWSA-N 435.833 4.765 30 10 IJEE C#CC[C@]1(C(=O)OCc2nc(-c3ccsc3)oc2C)CCCN1C(=O)OC(C)(C)C 808598375 PXBBWIZLGVPTFZ-JOCHJYFZSA-N 430.526 4.548 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)c1ccc(Cl)cc1 810472113 CUTJPFRXZUGEIZ-HXUWFJFHSA-N 448.954 4.561 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN(C)CCc2ccc(F)cc2)c1=S 919947862 DMCDMVPOINODLY-UHFFFAOYSA-N 430.524 4.589 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccccc2Cl)n1)Nc1cccc(Cl)c1 1084197462 ZLTSBZVRTOSTFX-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)c1ccccc1 1125306211 SQIBMNMPBZOPQT-HGFVNXKRSA-N 439.581 4.578 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 1125735871 KTBHGHJCSRZGEX-UHFFFAOYSA-N 448.336 4.796 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)c1ccc(F)c(F)c1 1128248897 JXVFIAHEKGQPPV-KSFYIVLOSA-N 448.535 4.575 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C=C)ccc1Cl 1128496420 VVGJKCPRAUTQDB-LJQANCHMSA-N 444.984 4.902 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)cc1OC 1133944185 RHTSAIDKMCDAOP-DHDCSXOGSA-N 426.476 4.646 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1ccccc1 1134861504 ADCQOTLLVDZNIK-LJAQVGFWSA-N 436.871 4.712 30 10 IJEE COC(=O)[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)Cc1ccc2ccccc2c1 1162482362 HSBCCUQDNMGJJY-JOCHJYFZSA-N 438.487 4.738 30 10 IJEE CC[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1187929284 APCPUROLBKYQGB-GOSISDBHSA-N 425.579 4.501 30 10 IJEE C=CCn1c(SCCCNC(=O)C2CCCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1187948813 WELSWBGCIMCJMI-OAHLLOKOSA-N 445.654 4.557 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)C(C)C 1211221857 IRTCNGPZFMKTOQ-NRFANRHFSA-N 428.552 4.555 30 10 IJEE COC(=O)[C@@]1(C)CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1C 1214721309 BVEWGFMGHTYWOD-YWBKXGLFSA-N 425.916 4.658 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1214886401 ZXSZSMRXQFTEDU-RBBKRZOGSA-N 445.922 4.916 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1226647094 OQWWHJOIMIQBAV-IBGZPJMESA-N 435.515 4.625 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 1251384423 SIODSADHXIQEKW-CVDCTZTESA-N 439.531 4.597 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)CCCC1 1252983578 HJKVPMYLAIKACD-UHFFFAOYSA-N 427.589 4.861 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 1254362761 LZMJJJUZCUNFEL-UHFFFAOYSA-N 432.899 4.851 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1265894670 ZUAWYPCSZVSUHD-IBGZPJMESA-N 441.753 4.834 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)COCC 1286368928 VSIDJSHMYOZRPO-UHFFFAOYSA-N 426.561 4.945 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286452714 KIAVQLINLCQILM-IRXDYDNUSA-N 436.478 4.619 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCCC2(CC2)C1 1286499380 QPEKDJGJKIEYET-UHFFFAOYSA-N 437.432 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1CCC(OC)CC1 1286527662 GTZKYGKOWJPWBA-AJEPASEPSA-N 436.600 4.671 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SCC)C1 1286532404 DCUWTQCAZOYHRQ-SFHVURJKSA-N 446.418 4.837 30 10 IJEE C=CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CC1)c1ccccc1 1286678357 VOSNANFKCKPOTH-MRXNPFEDSA-N 426.362 4.994 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H]1CCCO1 1286682204 GXBZXJQVPJAWMG-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)[C@@H](C)C1CCC1 1286694576 FZFDEDDAVBVWOJ-SFHVURJKSA-N 444.649 4.528 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCn1cc(Cl)cn1 1286716417 FBSBTVDGDYAHDR-UHFFFAOYSA-N 433.368 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CCC)C1 1286749495 UDSYMNMJAKHEKB-CTNGQTDRSA-N 429.634 4.506 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(CC)CCOCC2)C1 1286801804 IHUTULBLCHXMGA-SFHVURJKSA-N 448.970 4.726 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 1290020333 HUEIUWGEGBOTSY-NRFANRHFSA-N 436.961 4.617 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2cccc(C3(C)OCCO3)c2)cc1 1298667447 CTEWDWOIJNYVTE-UHFFFAOYSA-N 428.488 4.809 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC1COC(C)(C)OC1 1300348956 OSONESVJDWFROF-UHFFFAOYSA-N 438.616 4.881 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1300349249 SFPGGXPROROENT-CVEARBPZSA-N 433.419 4.841 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(OC)C1CC1 1300602749 IRNHLJFTCKLHIT-SANMLTNESA-N 431.584 4.627 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C)=C(C)C1 1300858332 NKHRPCLYFLYTGD-UHFFFAOYSA-N 437.769 4.966 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301143625 LVJIEMVCBIHKMQ-MRXNPFEDSA-N 425.499 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1301149126 XGNPMNJKKKRSOW-UHFFFAOYSA-N 442.007 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1301154259 NRDMKSXSLWYKJE-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](COC)C1 1301207325 UCVICIBRVKKGDA-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H](C)CN1CCCCC1 1301359764 ORLQZRNEYIDMRD-HXUWFJFHSA-N 436.629 4.716 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1301410297 BHXYFKNMWUQHJE-WOJBJXKFSA-N 425.621 4.740 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@H](O)C2)CC1 1303009056 DCZNWXGCDJIJQS-WMZOPIPTSA-N 448.398 4.933 30 10 IJEE N#Cc1cc(NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)ccc1Br 1304094642 HLNHZMNEKJQPNN-UHFFFAOYSA-N 425.286 4.743 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)CN(C)c3ccccc32)n(-c2cccc(F)c2)c1C 1307534241 ABMDHFFPPVNCPA-QGZVFWFLSA-N 445.542 4.636 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)Nc2cc(F)c(Br)cc2OCC)cc1 1310168275 OEFVBRURYABFGZ-UHFFFAOYSA-N 436.281 4.547 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C 1310573915 TZHCAKHPEHRZSH-OAQYLSRUSA-N 441.572 4.588 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccccc3CN(C)C(=O)OC(C)(C)C)cc21 1311253016 YXWBWHHITFIJRA-UHFFFAOYSA-N 449.555 4.911 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c(Cl)c1 1311263286 UYMAXCDSUFEPAJ-ZDUSSCGKSA-N 443.256 4.789 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(F)cc1 1311438684 RGLPAIMPBXCCKW-JWQCQUIFSA-N 432.495 4.800 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1312536724 QOWOYBCBQHSTEM-FUHIMQAGSA-N 435.515 4.765 30 10 IJEE CN(Cc1ccsc1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C 1314765371 CTHGNVCYDXVJQI-HXUWFJFHSA-N 448.621 4.879 30 10 IJEE Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)n(C2CCOCC2)n1 1350075792 BEEHERMNDNUWKO-UHFFFAOYSA-N 432.499 4.709 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1cccc(C)n1 1359002344 WCGHUUUKBCGCRT-UHFFFAOYSA-N 438.579 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCSC1 1359066988 WZOYTZXOUJLHGY-IIBYNOLFSA-N 445.430 4.761 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1359117903 BQXGAVZWHYFLLT-HOTGVXAUSA-N 438.439 4.733 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](OC)C(C)(C)C1 1359127957 FPHUWLVUNBKRMY-NRFANRHFSA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCO[C@H](C)C2)CC1 1359161491 GFXCQTVVMYZQFI-CABCVRRESA-N 437.407 4.741 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359177120 AYIBXPVGYKAWEA-OYRHEFFESA-N 436.648 4.809 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1359194963 DOTZSZATANZDST-XLGIIRLISA-N 438.616 4.783 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1)c1ccccc1 1359196017 VYXWGDDGFOOIEM-VXKWHMMOSA-N 437.632 4.722 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1359201408 MRIQBYUOWSJTIN-QHCPKHFHSA-N 436.648 4.953 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCn2cc(C)nc21 1359232306 RGRJSFIIMMRCHA-RTWAWAEBSA-N 434.588 4.740 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@H]1C(C)C 1359235442 ZUWKCDADXCLXBZ-CVDCTZTESA-N 436.556 4.800 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1359248741 ACLKFYAFMNTDSX-QFIPXVFZSA-N 445.405 4.804 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@@H](C)[C@H]2C)cc1 1359307820 WCJASIPIWJSUAM-MOPGFXCFSA-N 435.597 4.592 30 10 IJEE C=CC[C@@H](CC)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1448567273 XMCULXMCWLWNGZ-OXQOHEQNSA-N 425.367 4.660 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 1449532904 OTTPNHDBWIGNHO-GOSISDBHSA-N 426.479 4.881 30 10 IJEE O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccccc1S(=O)(=O)C(F)F 1459777935 GFHJRJZLBFCVIK-UHFFFAOYSA-N 445.312 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 1460045506 FNBXAXMMFQQTMU-KNQAVFIVSA-N 447.023 4.559 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 1462955546 NNIIBQANHPELKS-UHFFFAOYSA-N 444.549 4.963 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)c3cccc(Cl)c3F)n[nH]2)c1C 1467362036 DVVKPGRNVIOROF-UHFFFAOYSA-N 429.927 4.576 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1 1467888604 JAVKXSXAAPBCIS-XMMPIXPASA-N 430.504 4.535 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1468505892 BYFXOPAYPXOAQZ-YWZLYKJASA-N 432.442 4.723 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1468938379 IMBCCDVADFTLEP-HNNXBMFYSA-N 431.851 4.877 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](OC)C1CCCCC1 1470927527 YZYNPFJATBSLEI-LJQANCHMSA-N 427.358 4.881 30 10 IJEE C[C@@H]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 1493452468 DPLJNLOTJKJTCR-RTBURBONSA-N 438.595 4.640 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1C)N(C)C 1496633125 AHNCMPHCUNAPFP-QHCPKHFHSA-N 434.588 4.721 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1503969538 DVNOUSJCFULKQW-AYPBNUJASA-N 443.979 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H](C)c1ccccc1 1507519499 IAVSYDVMPWPJLW-IRXDYDNUSA-N 440.389 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1507529796 RELZGHFZMNSNAG-GCJKJVERSA-N 426.008 4.854 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CC)(CC)C1 1507590065 BRDLMDCKNHPCKY-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1507772745 UAUUVURTNFOETH-KIVTUJJHSA-N 440.563 4.584 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)CC1 1507796143 LBUSJENUQLPANL-UYAOXDASSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)s1 1507803297 GJMKKRWOJABPAR-CVDCTZTESA-N 440.588 4.996 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(NC(C)=O)nc1 1507813169 VJDNNHGEXWPZCB-JOCHJYFZSA-N 432.572 4.624 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCN2CCCC)CC1 1507886993 KFKIKQWWTXMVLE-HSZRJFAPSA-N 437.632 4.711 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@](C)(O)CCC)CC1 1507896563 HYZGGUUQIPBBAG-QFIPXVFZSA-N 447.421 4.970 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2cc(COC(C)(C)C)on2)CC1 1507899836 VYNSXZPMERWDOS-UHFFFAOYSA-N 439.535 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1507909991 BKENFNSCEAFRMY-KRWDZBQOSA-N 436.535 4.864 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1507917096 YLYVEXWTCPMKDI-FQEVSTJZSA-N 426.561 4.877 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCN(C(C)=O)CC1 1507939836 SHPPMFDMVMTOTQ-UHFFFAOYSA-N 444.004 4.838 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1507967579 HVMSQJGETDGIKJ-SFHVURJKSA-N 432.012 4.958 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1508150609 NRLDWVIVZKISOJ-HXUWFJFHSA-N 432.037 4.582 30 10 IJEE COc1cc(NC(=O)c2cc(C#N)ccc2C)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 1514924060 AMNJWYVRMVVFSI-IRXDYDNUSA-N 435.524 4.539 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 1518227892 XCILYULGFSIYEH-JOCHJYFZSA-N 435.524 4.807 30 10 IJEE C=CC[C@H](OC(=O)Cn1cc(Br)ccc1=O)c1ccc(Cl)c(Cl)c1 1519080646 DUCKBBOBBRZUFX-HNNXBMFYSA-N 431.113 4.778 30 10 IJEE Cc1nc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)nn1-c1ccccc1C(C)C 1519838465 DDCYVADDXPZHMW-UHFFFAOYSA-N 445.914 4.662 30 10 IJEE C#Cc1cccc(N(CC)C(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 1520812922 TUNNOQQFSGWSCA-UHFFFAOYSA-N 446.572 4.615 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc1OC 1520860960 KAPMWTXYSLTBHO-RPAADVPWSA-N 444.572 4.569 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 1521898508 TTZOTBHVBAKWTK-PMACEKPBSA-N 437.536 4.777 30 10 IJEE C#CC[C@H]1CCCN(C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)C1 1526527136 QNJUDSSFRHTOEI-NSHDSACASA-N 440.206 4.701 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 1527932694 RDLAKVHZKRDBMD-LJQANCHMSA-N 444.572 4.526 30 10 IJEE N#C[C@H]1CCC[C@@H](OC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 1528079410 BGNLSGIEEHXYLZ-WMLDXEAASA-N 428.330 4.753 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C 1529485572 KNSJMBNBIAPANB-AWEZNQCLSA-N 443.357 4.748 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)c1 1529637853 HQVBAVUUBFLCBY-QGZVFWFLSA-N 436.483 4.594 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC2(C)C)ccc1Cl 1532000260 YXYXFRDLVOTESK-HXUWFJFHSA-N 432.973 4.640 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CC1 1534035681 UGDCVFWOMSBMDU-CTYIDZIISA-N 435.877 4.955 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3c[nH]c4nccc-4c3)ccn2)cc1 1535141618 MOJFPKHJTCPOEW-UHFFFAOYSA-N 437.503 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)cc1F 1539652507 WBDXCTNZZFTBKL-UHFFFAOYSA-N 446.368 4.944 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)Cc1csc(Br)c1 1539744234 GFZQCWQCIJCKJO-UHFFFAOYSA-N 439.423 4.989 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1539848408 OBFKIDGOPXMNLL-UHFFFAOYSA-N 427.559 4.688 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539982270 NIYSKWFRYCBMPL-VQTJNVASSA-N 441.595 4.834 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539990707 PDIURLYLZJIZBM-UHFFFAOYSA-N 429.572 4.513 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1540049489 MVSBQSPLSGXYEK-AXHZCLLHSA-N 429.584 4.690 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccsc1)N(C)C)C1CC1 1540111867 PPLXKQLMKULZNR-NRFANRHFSA-N 425.577 4.527 30 10 IJEE C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1540517878 QNGZEAGSLUNREN-UHFFFAOYSA-N 434.945 4.856 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1540880658 NDMLKZPECLYJHT-IBGZPJMESA-N 434.588 4.697 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1540910546 JPXDAZQSHKZEJX-IBGZPJMESA-N 433.021 4.649 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(COc2ccccc2F)nnc1N(C)[C@H](C)CC#N 1541817815 AQEXOHQZRPYSHY-DLBZAZTESA-N 427.549 4.675 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1 1542276825 HWUUPKQETAUJRB-UHFFFAOYSA-N 440.547 4.659 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1544254032 OZABYVJJXSUQDI-FQEVSTJZSA-N 436.512 4.934 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1555556305 BNDMTMUBJNROFD-OALUTQOASA-N 435.494 4.680 30 10 IJEE C#CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@H]1CCCc2ccccc21 1558540408 BXLBPBHIHDYVMK-QHCPKHFHSA-N 426.520 4.696 30 10 IJEE C=CCn1c(SCc2ccc(OCC(F)(F)F)nc2)nc2cc(Cl)ccc2c1=O 1559311662 DACMZBAJCBWYKT-UHFFFAOYSA-N 441.862 4.864 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cnc(Br)c(Br)c1 1562488490 IIGDQWKXQCZHFS-CYBMUJFWSA-N 439.151 4.916 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1563500501 ZAELPFOBSXLKIF-QHCPKHFHSA-N 435.593 4.881 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1563953174 HVRCOLQSDNAODC-QFIPXVFZSA-N 441.513 4.992 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)CC1 1564600864 AEDFVTQZFHWQOL-KBWCOIMZSA-N 438.959 4.713 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 1565032197 OLHJASXYIQCAHD-PMACEKPBSA-N 436.552 4.874 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)C(C)C 1565607797 JRIGVMWXJBDMFB-QFIPXVFZSA-N 444.982 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)c1nc(C)cs1 1587561701 HFWHWRDHYPYCGY-XIRDDKMYSA-N 427.549 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(=C)Br 1587677118 CPMBXUFOWVNLKP-ZDUSSCGKSA-N 425.783 4.590 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 1587810485 SCQZZRZFHRXHPM-GOSISDBHSA-N 427.426 4.873 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCSC1 1588181087 OKTQCQMGJHBLPF-RBUKOAKNSA-N 443.016 4.678 30 10 IJEE C=C(Cl)Cn1c(N2CCc3cc(C)ccc32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593932764 OWUGXUSOFPUIBP-HDICACEKSA-N 443.979 4.804 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)C)c1ccccc1 1594535582 TYLNEPUCHZQZFS-HXUWFJFHSA-N 432.572 4.768 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1594600100 IOZLWLDGJVAGPY-MRXNPFEDSA-N 426.458 4.988 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)C1 1594783786 ITFRMHPYUZKHLC-IAGOWNOFSA-N 437.009 4.606 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1ccsc1)N(C)C 1594885405 GHJQJLXZFWIPMU-QFIPXVFZSA-N 432.597 4.788 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCOCC(=C)C)C1CC1 1595026008 BYTIFRQXVKFBBO-UHFFFAOYSA-N 435.341 4.594 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCCOC1CCCC1)C1CC1 1595027059 XEOOWSQEWNGSLH-UHFFFAOYSA-N 448.409 4.550 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H]2OCCC[C@H]2C1)C(C)C 1595170408 BVJGWISHDYLQLA-RBZQAINGSA-N 441.664 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(C)(F)F)c1 1595261709 ULBJKVWBNDUXBX-LJQANCHMSA-N 442.510 4.770 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCc2cc(OC)ccc21 1595275973 UQIGITPQASYWIZ-HXUWFJFHSA-N 436.556 4.614 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(CCC)CC2)C1 1595665391 UEAWXHQZMQXGGY-NRFANRHFSA-N 437.588 4.509 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cc2C1=O 1596957568 CSQDPVWNXVHXQB-UHFFFAOYSA-N 446.890 4.953 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccccc2Br)CC1)c1ccc(Br)cc1 1596985653 STNDCSNEKCGEHQ-QGZVFWFLSA-N 433.143 4.734 30 10 IJEE C[C@]12CC/C(=N/OCC(=O)NCc3ccco3)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 1614467921 VUKILELVYWEYTE-MCPQPFTLSA-N 440.584 4.592 30 10 IJEE C=CC[C@@]1(C(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)CCCN1C(=O)OC(C)(C)C 1617684879 IAVWOUJYVFPJTB-CYFREDJKSA-N 430.593 4.816 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1OC 1618111026 LPSGBLJVISLSTP-PEBGULEFSA-N 437.536 4.781 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCCO)Cc3ccc(Cl)c(Cl)c3)cc21 1627746294 FQVQFNPXEKMRBS-UHFFFAOYSA-N 433.339 4.946 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)cc1 1628500148 GCHORTIPODQWEH-HSZRJFAPSA-N 436.552 4.818 30 10 IJEE C=CCC[C@H](NC(=O)C[S@](=O)c1cccc(OC)c1)c1ccc(C(F)(F)F)cc1 1631195279 RSAHQHVUKHUZNO-SLQAJWMNSA-N 425.472 4.645 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)c1 1633307709 OPMRIEDTRQUWAU-HSZRJFAPSA-N 426.582 4.642 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)C1 1641029740 KJPIPNQKOIQQCF-IBGZPJMESA-N 425.573 4.984 30 10 IJEE CC(C)(C)c1ccc(C#N)c(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1 1641219959 FSOUMAHMZOZZPE-UHFFFAOYSA-N 431.540 4.751 30 10 IJEE C#C[C@@H](NC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1641834953 FECURXGKTYZYQW-XMMPIXPASA-N 432.564 4.860 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CCCC3 1643476509 LXYQYINRKKIVSO-NVXWUHKLSA-N 445.654 4.652 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2cccc(C)c2)c(C(=O)OCC)c1C 1643669104 VYRWYIRMRXPRQB-UHFFFAOYSA-N 433.551 4.615 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1644134990 GCKCAQGTGLUTDF-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(-c2ccccc2Br)no1 1648559913 UEPFFUBADQRNRS-UHFFFAOYSA-N 429.270 4.930 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 1648878395 XWDAPVLMQKNROE-XMSQKQJNSA-N 438.490 4.850 30 10 IJEE C#CC[C@@H]1CCCN(Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 1652719003 HAJPYYLHQNDDJH-OAHLLOKOSA-N 435.797 4.590 30 10 IJEE CCc1ccc2c(c1)CCN2CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1655054324 BDUCPMINULHSSJ-UHFFFAOYSA-N 430.527 4.728 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC2CCCC2)c2ccccc2)cc1 1658320819 NYARGIKOOAENGN-HSZRJFAPSA-N 441.597 4.936 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)c1 1660064301 PWKMXZWJDKZPNC-UHFFFAOYSA-N 447.379 4.769 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)CCc2ccccc2F)c1 1660301373 BCFZSGLEVWJCCW-UHFFFAOYSA-N 428.916 4.930 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCc4c3ccc(F)c4Br)cc21 1664933786 YHRBWAVISYWBHQ-KRWDZBQOSA-N 429.293 4.933 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)c1 1665093818 SCGWYFIYQZRQFR-UHFFFAOYSA-N 449.894 4.882 30 10 IJEE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)NCC(C)(C)CC#N 1665130636 AJWKNFPWEGZRTF-UHFFFAOYSA-N 438.528 4.798 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1cc(F)c(I)c(F)c1 1666668656 IMRRGVRUNYTZRZ-UHFFFAOYSA-N 428.220 4.790 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)ccc1OC(F)(F)F 1670745326 CNZIAMWBVPPZOR-CQSZACIVSA-N 442.800 4.650 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 1672210569 XXOCOFICRWTBCK-SFHVURJKSA-N 436.325 4.577 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1673340387 OLYIKYCWCSTXDW-FKBYEOEOSA-N 429.605 4.804 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)cc1 1673905254 YRDCDFDTAIJIKL-UHFFFAOYSA-N 434.467 4.747 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3CCNC(=O)OC(C)(C)C)cc21 1675098133 COIXLINDKJNXON-YLJYHZDGSA-N 441.576 4.770 30 10 IJEE COc1cc(NC(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)c(F)cc1C#N 1679428082 HERGAAZYZSPINI-SFHVURJKSA-N 441.503 4.742 30 10 IJEE CN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCCC[C@H]1c1ccccc1 1686929061 BMFPHSFKPIDPAA-UIOOFZCWSA-N 430.596 4.890 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCC(C)(C)COC 1690006575 TZZFLAHXBAOEOI-UHFFFAOYSA-N 438.641 4.801 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1690155549 LECDILBCTBRKEY-INIZCTEOSA-N 430.574 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)CCC(C)C 1690195312 IPBXEZXJPWPMDP-DNQXCXABSA-N 446.542 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@](C)(CC)C1 1690241198 PPPWWSUNQVDFTC-GREBRCKQSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(Nc2ccccc2Cl)CC1 1690249298 WRKRAJDSNPUDDZ-VGOFRKELSA-N 429.996 4.556 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1690305796 IFDNCDMDUOKHQD-WIYYLYMNSA-N 437.975 4.969 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)c1ccccc1 1690321541 FDIQMZJLSWJAPF-SZUKKWSHSA-N 437.588 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1690422565 SOKYDEANDLYGTI-LJQANCHMSA-N 441.620 4.826 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1690444970 PEYFNPXRFCACHT-FQEVSTJZSA-N 425.621 4.578 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1NC(=O)CC1(C)C 1690447579 SFKPVYKAIMIVAA-LJQANCHMSA-N 447.986 4.835 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1690458986 MHKJMTXQFHAEKU-UHFFFAOYSA-N 435.416 4.961 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1OCC[C@H]1C)C1CC1 1690549468 DHYDMNGEAHJYRX-AUUYWEPGSA-N 437.371 4.744 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1C 1690558163 GZUDOFGTLIPMHA-AUUYWEPGSA-N 437.345 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1cccc(Cl)c1C 1690607089 CBXHIBWEEXIYRV-IBGZPJMESA-N 426.948 4.620 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(Cc1ccco1)C(C)C 1690682552 RYFFHPAHTKQEKT-UHFFFAOYSA-N 429.524 4.961 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1690711615 DVHJAOLKPMEZJS-NHCUHLMSSA-N 444.645 4.725 30 10 IJEE CC(C)(C)OC1CC(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1692851648 GENDWIGUSNKVGS-VTVQOIPASA-N 429.609 4.634 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C2CCC1(C)CC2 1705517518 XIBIPUDICMJXNI-UHFFFAOYSA-N 441.620 4.717 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(OC)CC1 1705526268 CSITZRXZXBGUQS-HOYKHHGWSA-N 426.630 4.940 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705548729 RUFQLENSNKDSBV-VQIMIIECSA-N 445.405 4.618 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1C 1705620448 UCGYMYDSPATJHO-PXNSSMCTSA-N 437.588 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccccc1CN(CC)CC 1705672136 LYRSGPJIXXYAAS-HHHXNRCGSA-N 442.611 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1705693441 GPWMHRXZFQGQBY-YYWHXJBOSA-N 448.970 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C)C1 1705710020 UPQRZAYSSLKIBC-YDHSSHFGSA-N 442.629 4.797 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOC[C@H]1C 1705732106 NKULHPQZONOUTH-QGZVFWFLSA-N 442.560 4.631 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCCC[C@@H]2CC)CC1 1705784997 RQEBSZRJISACGW-QHCPKHFHSA-N 437.632 4.832 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(Cl)cc1)C1CC1 1705851746 QIEIUGVFVVYAJL-UHFFFAOYSA-N 446.780 4.903 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCO[C@@H](C)C1 1705878973 IMYUIOJLXAEVGB-PMACEKPBSA-N 436.556 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccnc(C(F)(F)F)c1 1705879296 UDFISTVFKGRLCW-UHFFFAOYSA-N 433.478 4.866 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCc2ccc(Cl)nc2C1 1722321057 UDTFUQNYPOEJQU-UHFFFAOYSA-N 435.959 4.580 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N(C)Cc1cc(OC)ccc1Br 1722333070 HAIAHISJENJITR-UHFFFAOYSA-N 431.378 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1csc(CC)n1 1722467870 XDIOWWGMWJPLMM-QMHKHESXSA-N 439.560 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(Cc1ccco1)C(C)C 1722493002 HZSXMIHUYBGAFR-REWPJTCUSA-N 436.556 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)CC1CC1 1722494503 CFKLUGQQBOUCHL-XLIONFOSSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(C)cc1 1722507329 HZEXSPVETQUXLV-NZQKXSOJSA-N 426.605 4.672 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](CCC)OC 1722515941 PNUVLTCUMCJQID-UXHICEINSA-N 449.640 4.610 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1722565952 GFCRFQLGGVODHB-HKUYNNGSSA-N 449.368 4.802 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1722592344 URFMSYROXQVLHH-UHFFFAOYSA-N 427.568 4.622 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@]2(CCOC2)O1 1722595881 WXXVUAOQTRFNLF-CJFMBICVSA-N 442.579 4.995 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722601113 VEWQMDSGIAPLEL-UHFFFAOYSA-N 427.637 4.911 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1722609814 GNIXGJJYNVJPNI-UHFFFAOYSA-N 446.599 4.509 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1cccnc1 1722635971 WMNSAYQIQSPNJM-UHFFFAOYSA-N 432.753 4.621 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1722663721 GLRUKWXXILKAQJ-QGZVFWFLSA-N 433.622 4.598 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC(C)(F)F 1722678781 YJIVGKFICDELJW-UHFFFAOYSA-N 443.336 4.700 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@@H](C(C)C)C1 1722707793 ZENANAUWSDSQDP-HSZRJFAPSA-N 449.624 4.839 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC(c2ccnn2C)CC1 1722733360 WTHMUQZTCYVCJA-IBGZPJMESA-N 434.588 4.522 30 10 IJEE COCCC1(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@H](C)CC#N)CCC1 1730640063 CGMVSSOOAFDSMY-LJQANCHMSA-N 432.572 4.747 30 10 IJEE CSc1cccc(F)c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1731078588 DQIDFWFHUFFIQG-RZQQEMMASA-N 445.608 4.844 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1740590345 CQAGPTSTCALMRY-DYESRHJHSA-N 441.000 4.964 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CC[C@@](C)(CC)O1 1740642107 RMXHBLCOMUIFDS-AJTFRIOCSA-N 448.611 4.709 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC=CO1 1740647169 OSOZARVMVXVRPJ-NRFANRHFSA-N 443.576 4.533 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 1740794029 YXPMSEZYSKULBX-IBGZPJMESA-N 437.588 4.985 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC2(CCCCC2)C1 1740806652 CGJCXQMKYVKVHK-UHFFFAOYSA-N 446.979 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCc2ccc(OCC)cc2C1 1740849386 HXDYKLLKEKEYGB-UHFFFAOYSA-N 431.584 4.828 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1740862700 CCUOULRVVZOQMA-UHFFFAOYSA-N 443.611 4.693 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)C2(CCC2)C1 1740887182 DWIQLMUNJLHOOH-GOSISDBHSA-N 430.543 4.756 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](OCCC)CC1 1740969264 LSMGKRKHCKCWOK-JOCHJYFZSA-N 447.583 4.739 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)C1 1740973603 AEOFVKJIRHMZHN-NNWRFLSQSA-N 445.007 4.831 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1743067559 AQRYXONVSSIJEC-FQEVSTJZSA-N 426.653 4.651 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N)OC 1743518372 DFLYRQGEZLVPTR-MELADBBJSA-N 440.411 4.569 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCC(=C)CC1 1749091620 AWUSZWCPPWEWJG-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1749142177 RSHVJDSJNRUGLG-UFYCRDLUSA-N 442.007 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)c1ccc(F)cc1 1749170385 FMDJAVDMAMJISU-RXVVDRJESA-N 430.568 4.521 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1749406964 RCFMQWKFAOETMJ-HSZRJFAPSA-N 430.980 4.874 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC2(CCCC2)C1 1749416121 ZAAQWUOQOJXXNA-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(C)C)C1 1749454918 MJYJKBNZWBJOLA-NRFANRHFSA-N 434.588 4.596 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCO[C@H](C)C1 1749746234 BFBOUGDRFXAKSH-CQSZACIVSA-N 427.401 4.786 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1749750773 CKCYWTVUCGQTGV-LJQANCHMSA-N 439.585 4.551 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@](F)(C#N)C2)s1 1751730142 IBYGSYUVICXPSO-RNODOKPDSA-N 430.940 4.609 30 10 IJEE C[C@H]1CCC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)C1 1752089033 BFJBBEVVHPDLCQ-REWPJTCUSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1c(CC)noc1C 1760100268 TTYUPIPILKJSPA-QGZVFWFLSA-N 442.567 4.718 30 10 IJEE C#CCCCn1c(N2CCC(C(=O)C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1760159429 HAKQXLRDWCNDGZ-UHFFFAOYSA-N 444.501 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(C)CCCO1 1760331298 HGKVSNGSIQIGCE-OAQYLSRUSA-N 449.393 4.688 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCCCCC1)C1CC1 1760471527 YAZZNDYOYXZSIN-SFHVURJKSA-N 428.552 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1760491943 AAQJIUSYEZYPTL-HXUWFJFHSA-N 437.588 4.831 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(OCC)CCCC2)C1 1760542319 FXOFOKQWVWOJPE-NRFANRHFSA-N 445.007 4.653 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCCC2(F)F)C1 1760549577 HOLOWDDNXMYECM-LEWJYISDSA-N 430.543 4.670 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCCO[C@H](c2ccccc2)C1 1760567647 IOJLBVMQZGQXOE-QFIPXVFZSA-N 426.630 4.898 30 10 IJEE C[C@H]1CCCN([C@H](C)Cn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1 1762882820 BSANFHOLAKMWFP-LEWJYISDSA-N 446.643 4.861 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4ccc(F)cc4)oc3c2)nc1C 1859737350 ZIHNGAFLXPVHCC-UHFFFAOYSA-N 437.452 4.994 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1 1860734521 DNONKQNLFMZSSZ-UKTHLTGXSA-N 435.907 4.826 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1OC 1862482394 PYFLFEHXHWJZMA-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2Cl)c1 1862561331 SXOKLXBEYNMZCO-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862568752 XLPRGNKVVHAWDB-DEOSSOPVSA-N 440.499 4.612 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(F)c2)cc1OC 1862571442 KBJUILMQTKIOQE-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621775 YHBYGOFQBKGWKS-XMMPIXPASA-N 441.483 4.626 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)O)cc1 1862654817 SJKOKRDAHFTBPD-QRQCRPRQSA-N 429.472 4.915 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)CCCN2C 1862658604 SNXONAAIGPRIJL-RUZDIDTESA-N 438.527 4.987 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862663876 COBZWUHJAQTXAA-LADGPHEKSA-N 448.563 4.633 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 1862672370 BNPPSXLYIVHBJR-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(C)c1 1862674562 OXPHZRVIQKMWRO-JOCHJYFZSA-N 425.500 4.919 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862701558 IAJLBKMAIQZQEO-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 1862724493 NROYTSXEUPHQAX-QHCPKHFHSA-N 431.463 4.717 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862989949 PAOONXVVECMKCS-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@@H]1c1cccc(OC)c1 1868119919 YVECXZXLNZMLOX-MHZLTWQESA-N 429.516 4.813 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN(C)CCCC 1870530303 ZZXHSRXWCGMCNO-OAQYLSRUSA-N 435.653 4.734 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(Cl)cc1C 1871015608 QFEMUQXZUHRYPF-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)cc1 1871167573 BEIAGYJCCRTEDW-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE CCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871411609 QWXGSWCFCPRQSR-WQRHYEAKSA-N 431.282 4.706 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872243790 ZBQUBCPCGHSGNV-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872246406 HSHJIKIZZMGFFA-KBXCAEBGSA-N 426.991 4.632 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)cc1 1872469907 ANTPVQMBJTUTHZ-OAQYLSRUSA-N 434.989 4.887 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)C1CC1 1872587269 CKKKECZBKRKVKV-HSZRJFAPSA-N 449.661 4.709 30 10 IJEE Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872779445 KDCWDQVLCSPAJF-CYBMUJFWSA-N 444.375 4.703 30 10 IJEE CCCCN(CCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 1872797389 JQUCBQCERVYQML-HXUWFJFHSA-N 426.586 4.765 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3ccccn3)ncnc21 1873632969 DYOCZFALHPKNHK-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874207284 GWENQLPRUOLPRT-UDWIEESQSA-N 446.330 4.534 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1c[nH]c2ccccc12 1874288537 KQBAPYFAOMWGIR-DHRITJCHSA-N 433.537 4.897 30 10 IJEE Oc1ccccc1/C=N/n1c(Cc2ccc(F)cc2)nnc1SCCc1ccccc1 1874380954 UIEAKMMMBGUQHF-YZSQISJMSA-N 432.524 4.931 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1 1874416772 HFEHPDSDNRQFBV-PCLIKHOPSA-N 428.517 4.742 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)c1 1874443606 GUTDJQOKGJEQDY-JHXRPTDYSA-N 438.553 4.630 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874471567 WCQDJEMRQRVRON-HZHRSRAPSA-N 432.590 4.595 30 10 IJEE COCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cccc(Br)c1 1874502155 SHKBSWNZUVYHRM-SSDVNMTOSA-N 445.386 4.978 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(F)c2)c1 1874509018 HJDBEDZVFPZLNR-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2/N=C/c2ccccc2Cl)cc1 1874523913 OIZWVBDKLLGOPW-YDZHTSKRSA-N 427.961 4.669 30 10 IJEE COCCc1nnc(S)n1/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1874559800 PJAGTTVBXYPUMC-SSDVNMTOSA-N 437.352 4.524 30 10 IJEE COC(=O)c1ccc(COc2ccc(Cl)cc2/C=C/C(=O)c2ccc3c(c2)OCO3)o1 1874582771 GUCCKUPZVYBJAG-QHHAFSJGSA-N 440.835 4.923 30 10 IJEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1Br 1874597057 ROUGYIQIUZXUJO-QPJJXVBHSA-N 431.282 4.690 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC(=O)OCC(C)C 1874599565 SNSDLHLXYJGNTD-VQHVLOKHSA-N 426.509 4.795 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c(Br)c1)c1ccc(F)cc1F 1875120921 QAAMMACDDLIOTI-CZXUKVBWSA-N 437.236 4.708 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-] 1875127046 MBRYRMDAEZPXOX-WYMLVPIESA-N 447.443 4.874 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N(C)CCO)n2CCCC 1875212048 PTDJVOJCYSEFAF-UHFFFAOYSA-N 431.625 4.848 30 10 IJEE C#C[C@@H]1CCCN1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)s1 1891770953 YHAOXANTZBSGMC-CQSZACIVSA-N 426.339 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Cc2cc(I)ccc2Cl)C1 1905004143 WZQAAYPJFBVDCY-KRWDZBQOSA-N 446.716 4.638 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(c1ncc(Br)cc1C#N)C2 1965549817 GEGNEIFYXQZKAY-UHFFFAOYSA-N 429.318 4.625 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(Br)c2)C(F)(F)CC1 1965668041 NAEWQURSPXYCHG-OAHLLOKOSA-N 430.293 4.767 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983939732 BMYOKZUGGDXEPI-ROUUACIJSA-N 427.463 4.907 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCCC[C@H]1C#N 1984694341 JGJSUDXIZXHRDL-PISWEHOVSA-N 445.563 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)NCCC 2014403300 FOXRZKKTUGXKLQ-VJBWXMMDSA-N 432.605 4.590 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2c2ccc(Cl)c(Cl)c2)o1 2033813170 JOXATWKJYSUKDX-CQSZACIVSA-N 436.276 4.529 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(Br)o2)o1 2033813215 LESFTXDUCDJPRO-INIZCTEOSA-N 448.294 4.784 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NC 2047967722 LNAAISWZJCRXNO-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE N#Cc1cc(Nc2ncc(I)cc2Br)ccc1Cl 2069523451 KJPVAHBEXNQAAO-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=C(COCC)[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345574 JTBVWEHCYSMSPJ-RRPNLBNLSA-N 433.548 4.798 30 10 IJEE N#Cc1cnc2c(-c3ccc(I)cc3)c(C(F)(F)F)nn2c1Cl 2081444109 OROQZXDHZKZOII-UHFFFAOYSA-N 448.573 4.545 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(F)c(Br)c2F)C1 2126626085 NNTKAQQWVDTBJL-UHFFFAOYSA-N 431.277 4.527 30 10 IJEE Cc1c(NCc2occc2B2OC(C)(C)C(C)(C)O2)ccc(Br)c1Cl 2138175105 FPPYSFXSIMFOHV-UHFFFAOYSA-N 426.547 4.915 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCCC 2159120628 JQJWBTDTTZMSPQ-VQTJNVASSA-N 437.422 4.975 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2159124711 JGFGTUJHVLYLBY-RTBURBONSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CN(c3cc(Br)cc(F)c3C#N)CC[C@@H]21 2174810476 MXQMJBHUSVYWBG-GUYCJALGSA-N 438.341 4.686 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)CC1CN(Cc2ccc(Br)cc2C#N)C1 2199519023 BNPZMUCGYWXSHR-UHFFFAOYSA-N 436.394 4.694 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2224093346 MLNQQLKHBMEOGR-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2235732379 RTGMVPMQTUFOPP-MJGOQNOKSA-N 435.406 4.816 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(N)C#Cc1ccccc1Br 2235733940 PQUMMFFYDFMVDU-GCJKJVERSA-N 435.406 4.801 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C 2235749092 GQXJCCUJXTYJEP-IXIUHKBRSA-N 435.406 4.670 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404141 CIJKISVEMGZVRO-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1ccccc1Cl 2245957946 KPRQOWASHIPPSQ-VGOFRKELSA-N 427.928 4.759 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(CCCN(C)C(=O)OC(C)(C)C)OCCC(=O)O 2252114829 RBSQXPKQKBHIBM-DEOSSOPVSA-N 435.561 4.657 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CCC 2261818665 FYJCTGQFJVPJOU-PXDATVDWSA-N 447.572 4.657 30 10 IJEE CC1(C)OB(c2cnc(Nc3cc(Br)ccc3Cl)c(F)c2)OC1(C)C 2269006398 JDQBEQZQZJLSAM-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CCCC1([C@H](N)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2272732881 KFBPGPPMQSSQCH-MRXNPFEDSA-N 431.321 4.930 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)c1cc(Br)cc(OC(F)(F)F)c1 2273103263 ZDDDIDKCIZZVKP-ZDUSSCGKSA-N 438.240 5.000 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2296221662 KOIRFNLZIPZKJQ-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@H](O)C#Cc1cccc(Br)c1 2296225497 VVYHPWPMCPEYSP-KNQAVFIVSA-N 430.342 4.602 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)C1CCCC1 2296288851 LAXJJKGMMJWUOO-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H](C)C1 2296298745 NHITXYRHDMFMRG-PERKRYKHSA-N 435.406 4.862 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@H](c3ccco3)CC(=O)O4)C1=O)cn2C 2297639980 YILJYBHEJZGGMR-SFHVURJKSA-N 441.439 4.837 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2308473988 WAUMXIBEPACZOX-LSRZYVKLSA-N 443.544 4.728 30 10 IJEE CCN=C1SC(=Cc2cc(OC)c(O[C@@H](C)CC)cc2Br)C(=O)N1CC 2313557077 SPCNTZMSMDHTPL-LBPRGKRZSA-N 441.391 4.947 30 10 IJEE CC(C=Cc1ccccc1)=NN=c1[nH]nc(SCc2ccc(Cl)c(Cl)c2)n1N 2313707902 VDGHTICUOOILET-UHFFFAOYSA-N 433.368 4.514 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 2314429844 QBANJABARZWULN-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc4c(c3)OCO4)cc1)C2=O 2314527276 NJRXGRXBUJZHHZ-UHFFFAOYSA-N 430.412 4.649 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CC2)n1N=Cc1cccc2ccccc12 2320885558 UQZOQVMBBLXEPK-UHFFFAOYSA-N 435.597 4.932 30 10 IJEE CCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2321014725 XXGXEHMCEJYDGT-UHFFFAOYSA-N 440.400 4.571 30 10 IJEE CC(C)[C@H]1C[C@](O)(C#Cc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321508892 SWJDUUXQBGSNAM-FYYLOGMGSA-N 442.353 4.599 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2-c2ccco2)ccc1OCc1ccc(F)cc1 2321911879 NSHHGTQQHVKWHJ-UHFFFAOYSA-N 438.484 4.826 30 10 IJEE COc1ccccc1OCc1nnc(S)n1N=Cc1cccc(OCc2ccccc2)c1 2322104261 XVTHHCGHXYSXPH-UHFFFAOYSA-N 446.532 4.616 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323149293 GSONGURCARXMRY-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE CCOC(=O)c1sc(NN=Cc2ccc(OC(C)C)c(Br)c2)nc1C 2323870704 RABNWWUTCMSRPU-UHFFFAOYSA-N 426.336 4.624 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)cc2Cl)C3=O)C[C@H](C)O1 2324017421 OARVIZJMKPNOIM-STQMWFEESA-N 434.319 4.924 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OCCOc4ccccc4F)c3C)C2=O)cc1 2324857784 LMRLDMWKVHKKJK-UHFFFAOYSA-N 448.446 4.995 30 10 IJEE CCn1cc(C=C2Oc3cc(OCC(=O)NCc4ccco4)ccc3C2=O)c2ccccc21 2325563058 OLBNMMXMFHPZFX-UHFFFAOYSA-N 442.471 4.566 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(OC)cc4)cc(C)c3C2=O)cc1 2325731413 MBEMNMOAPJCYTE-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCOc1c(OCC)cc(C=Nn2cnnc2SCc2ccccc2)cc1[N+](=O)[O-] 2326204342 ORMZHNDXBVLPAG-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(O)c(OC)c1 2326539941 VHXNJIQLZDPQNY-UHFFFAOYSA-N 444.944 4.693 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2327679023 MZCOGOHGOMRGDO-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2N=Cc2cccnc2)CC1 2328142865 SNDQKUXUEUVGQJ-UHFFFAOYSA-N 442.633 4.638 30 10 IJEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2cccnc2)c1 2328724604 OIFURZJLXYAAON-UHFFFAOYSA-N 447.539 4.998 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2N=Cc2c[nH]c3ccccc23)cc1C 2328966535 IJIFANVPUDCJRL-UHFFFAOYSA-N 433.581 4.518 30 10 IJEE CC(=Cc1ccccc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 2330494816 MWTVJQHVLFVFSM-XMMPIXPASA-N 443.934 4.981 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)o1 2330664673 UBMXCPWLSYXHJY-UHFFFAOYSA-N 438.534 4.951 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccccc1C 2330786096 JKPLEFUDTFDNMT-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cccc(F)c1 2331325959 IZZQEXCPPSKJIW-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccc(F)c1)c1ccccc1 2331412873 OVFORYDEBATLJR-MRXNPFEDSA-N 439.560 4.566 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(F)cc1 2331449017 BYQPRGIXKTZYAZ-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1F 2331453426 SCWYOPAVXIZFCA-UHFFFAOYSA-N 426.396 4.560 30 10 IJEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)c1ccsc1Br 2337339616 VXRPYSOGRSMWAZ-UHFFFAOYSA-N 426.185 4.693 30 10 IJEE N#Cc1c(F)cc(Br)cc1NCCC12CC(I)(C1)C2 2353312562 YSAHUILLRSGTCV-UHFFFAOYSA-N 435.078 4.620 30 10 IJEE Cc1cc(F)c(Br)cc1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2368435409 QXMQWQXCRSHBQI-LJQANCHMSA-N 426.135 4.595 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCC)cc2)S/C1=N\c1ccc(Cl)cc1 2729390 SBNRGOKAJMLYKU-NWIBBQCFSA-N 443.956 4.885 30 10 IJEE C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1cccc(OC)c1 14082875 RXNCNMDZCCPOBP-UHFFFAOYSA-N 436.581 4.995 30 10 IJEE O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21251679 AOGUESSFWQDPRA-HIFRSBDPSA-N 431.275 4.906 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)nc1C 32528353 VBQHCDASJXFBGR-CQSZACIVSA-N 427.551 4.770 30 10 IJEE O=C1/C(=N\O)c2cc(Br)ccc2N1CCCOc1cccc2ccccc12 39854100 YKRSMIQTNQYIAS-ATJXCDBQSA-N 425.282 4.596 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1ccccc1OCC 59263878 QKDCZWUQBAZPFJ-UHFFFAOYSA-N 436.581 4.769 30 10 IJEE CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 111275734 OBCWFDNHJFCPBY-QQYUXEJHSA-N 442.515 4.882 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(C)c(Br)s1 123696421 RDLBUGUSBSLGBF-UHFFFAOYSA-N 426.810 4.911 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cccc(OC(C)C)c1 169980125 XYDKWDMYOIOISA-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccn1 169994108 WTHWGLCPHMOTQC-NRFANRHFSA-N 448.862 4.555 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)c1 170047603 IUPAZRNMMPMOFV-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 170051619 SILCPPZOAJVYCZ-OAQYLSRUSA-N 447.874 4.910 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2)c1 170054874 WAIUMGXBZBWOEN-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c[nH]c3ccccc23)c1 170073141 OTLMOYOCTGGJSS-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170076077 GOCSIBVKJPJGDL-HRAATJIYSA-N 436.895 4.579 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170178368 RCFVYZKOWGUDFC-LJQANCHMSA-N 440.286 4.562 30 10 IJEE CC1CCN(c2ccc(N3CC(=O)C(c4nc(-c5ccc(F)cc5)cs4)=C3N)cc2)CC1 170179505 DWKOSFOWNRAKJH-UHFFFAOYSA-N 448.567 4.902 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccncc2)cc1C 170205328 BDOOTEAYGLRJKJ-QHCPKHFHSA-N 444.487 4.504 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)c1 170231235 BPDPHKMIVZZYPK-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1cccc(F)c1 170270830 FPOQFAWZHRSDOI-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccco2)cc1C 170289143 WQSDKRGMIBAKST-QFIPXVFZSA-N 433.460 4.784 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@H]1c1ccco1 170297159 FRHSIZPPMCKYOZ-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 170297367 HPLPLLQDKOWPRJ-JOCHJYFZSA-N 439.471 4.818 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(C)o2)cc1 170304523 AVHYPHZVPVETFL-JOCHJYFZSA-N 433.460 4.784 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2sccc2C)cc1C 170317361 OXBSWTQAWUODRI-OAQYLSRUSA-N 448.544 4.855 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170455270 IEFAKJJDULUMTO-OAQYLSRUSA-N 446.551 4.924 30 10 IJEE N#Cc1c(NS(=O)(=O)c2ccc(C(=O)O)cc2)oc(-c2ccccc2)c1-c1ccccc1 170550215 IANZWZPPGZEMPG-UHFFFAOYSA-N 444.468 4.984 30 10 IJEE CN(C)c1ccc(N=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 254771952 SNVLAOAKFYWCNH-UHFFFAOYSA-N 434.408 4.539 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NC 407386552 DRFVKEZDDMETBN-JKSUJKDBSA-N 433.337 4.717 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC[C@H]2c2ccnn2C)cc1 439520321 UTVGVYXUKVDLJG-NRFANRHFSA-N 431.496 4.852 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 476150867 LVCIRZFVFBGBBN-UHFFFAOYSA-N 439.515 4.982 30 10 IJEE CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 480719648 RVQDGOCQVUGXMT-UHFFFAOYSA-N 439.487 4.728 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1 487852829 HHZXNBTXVWBFHL-WOJBJXKFSA-N 444.535 4.868 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccc(O)cc1 526490538 HSYLGTJTRDRZJX-HSZRJFAPSA-N 442.471 4.728 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cc(OC)ccc2OC)cc1 526605042 SOJYVRBIRMSDFR-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 554594390 AHCLTUQGZHGWEW-UHFFFAOYSA-N 430.483 4.780 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 580454760 CDPCLHOGIIWNBD-QHCPKHFHSA-N 440.551 4.791 30 10 IJEE N#Cc1c(F)cccc1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687736468 NHUUKXIWQMCMFN-QHCPKHFHSA-N 430.435 4.752 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1Cl 733202374 QVAVHCGKVKMXHX-IBGZPJMESA-N 425.941 4.632 30 10 IJEE Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)cc1 739115773 FCJSIIHSTXXCQM-NLFFAJNJSA-N 425.532 4.679 30 10 IJEE Cc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cnn(-c3ccccc3)c2)cc1 743052177 FYCAWOSEDRMUHR-UHFFFAOYSA-O 438.536 4.663 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN(C)C[C@H](C)c2nccs2)c1=S 784036735 GTAGIPZXOHKHKV-KRWDZBQOSA-N 429.615 4.637 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-c3nnc(CC)o3)cc2)CCCN1C(=O)OC(C)(C)C 790688302 BJAWYZUDAUBDEN-QHCPKHFHSA-N 426.517 4.583 30 10 IJEE CCc1ccc(C(=O)CCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916845930 WYCTZNROLYPREJ-KRWDZBQOSA-N 433.533 4.677 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 1125367435 CBVVHPMLLYNDMW-KRWDZBQOSA-N 431.879 4.996 30 10 IJEE C#CCN(C(=O)c1cc2cc(Br)cc(Br)c2o1)c1nccs1 1126810286 XQJDNYTVLYJNSO-UHFFFAOYSA-N 440.116 4.694 30 10 IJEE CC(C)COC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)CC1 1129396918 CBULEGHCCBBHOF-KRWDZBQOSA-N 431.602 4.824 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCc2ccc(Cl)cc21 1131944346 CXAIKXUNFJJWIY-QGZVFWFLSA-N 449.732 4.555 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1C 1143750248 JKMQMGNYFBGTGB-KRWDZBQOSA-N 425.367 4.623 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C)c12)C(C)C 1144198036 SBCGHYWHOSOBPV-QHCPKHFHSA-N 432.568 4.935 30 10 IJEE C=C(CCN(C)C)C(=O)Nc1nc2cc(Br)ccc2n1-c1ccc(C)cc1 1147866905 DPZIRGMLNXQXBC-UHFFFAOYSA-N 427.346 4.543 30 10 IJEE C=CCn1c(S[C@H](C)c2nc(C)cc(O)n2)nc2sc(-c3ccccc3)cc2c1=O 1165434966 WTLOUBSPHLKNQF-CQSZACIVSA-N 436.562 4.968 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N([C@@H](C)COC)[C@@H]1CCc2ccccc21 1169954825 XKFUJDIKSMWGLY-YUXAGFNASA-N 430.589 4.787 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(N3CCN(C)CC3)cc2OCC)cc1OC 1200791453 KNAWHCMNQPICOF-UHFFFAOYSA-N 445.991 4.676 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](CCO)c2ccccc2Br)cc1OC 1201954373 NJSIMDMIPBKNNI-SFHVURJKSA-N 440.765 4.889 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 1229989642 MTZGUBPGSDLFPS-FQEVSTJZSA-N 441.597 4.705 30 10 IJEE C#CC[C@H](NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1230566014 NTPPTFBICFWGBO-OFVILXPXSA-N 425.573 4.574 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1)c1ccc(Cl)cc1F 1252479530 OOTOJNGFMRTQHX-HXUWFJFHSA-N 444.938 4.858 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1ccccc1 1264039142 ZJNOUZFZFUIZSC-SELNLUPBSA-N 426.582 4.652 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1scc(C)c1Br 1264280798 GVWYAUCUZTTXBZ-UHFFFAOYSA-N 425.300 4.562 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCS1 1286421188 WHXVTNRLUXEMKZ-FCHUYYIVSA-N 436.625 4.784 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(C)C)CC1 1286511839 PARHGPMUGZQDMX-UHFFFAOYSA-N 426.630 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOCC 1286551524 MHLWRQWVRCBCFI-FGSXEWAUSA-N 444.645 4.585 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC(C)CC1 1286593365 LPTRZNYPESJRLD-IOJLRTSASA-N 431.625 4.984 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286605476 XOPUMFKBDZBEEW-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286670337 GQVXYEJGQHEOAJ-LJQANCHMSA-N 448.615 4.914 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286684884 LMZJCXACFYZPSH-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1286737494 QDWJXQYUKDFCNB-FQEVSTJZSA-N 431.625 4.715 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC1(COC)CCC1 1286742423 KMTRRLIPTRQXQH-UHFFFAOYSA-N 431.540 4.728 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 1288551517 FDWPDLDVUQUYRR-UHFFFAOYSA-N 440.565 4.868 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1)OC 1291940973 AKPJSTCOJIKKMG-FQEVSTJZSA-N 431.531 4.894 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C1CCCC1 1295780980 DNHIJTSOENBEPL-UHFFFAOYSA-N 448.640 4.822 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCc4ccc(C(C)C)cc43)ccc2c1=O 1295952725 NLMLJVDKNZNHGB-OAQYLSRUSA-N 433.577 4.802 30 10 IJEE C#Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)c1 1299356691 ULZBRCRACDXSEL-UHFFFAOYSA-N 446.572 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1300561466 SCUQAQDAZMAFLT-FYYLOGMGSA-N 448.611 4.646 30 10 IJEE C=C1CN(C(=O)CSc2nnc(COc3ccc(Cl)cc3C)n2C2CCCCC2)C1 1300667365 XZFSGZZSFSNAJI-UHFFFAOYSA-N 447.004 4.815 30 10 IJEE C=C(Cl)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@H]1CCCOC1 1301061316 SCQDXNWZCQMTKI-VKJFTORMSA-N 425.360 4.766 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1301074719 HSQHPLGNMLYELL-KRWDZBQOSA-N 429.540 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1301144077 UTOHPHBSVKDIBG-UHFFFAOYSA-N 443.498 4.802 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCCCC2)C1 1301155565 PZKHBLPMBIDVPF-HXUWFJFHSA-N 442.677 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccccc2F)nnc1[C@@]1(OC(C)C)CCOC1 1301158540 IELBTJNDWWVKJT-XMMPIXPASA-N 430.568 4.697 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 1301164409 SRJQJMFPGMQPRZ-URXFXBBRSA-N 449.643 4.990 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCO[C@H](C)C1 1301167867 GRICTVZHVQJMDJ-WOJBJXKFSA-N 440.588 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCN(C(C)C)C(C)C 1301270251 FPWPWMVQEQHSKM-UHFFFAOYSA-N 438.389 4.588 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCN1CCCC(C)(C)C1 1301351120 KBNCWRAAYGHYMF-UHFFFAOYSA-N 436.579 4.727 30 10 IJEE C=CCc1cc(CNCc2cc(Cl)cc(Br)c2O)cc(OC)c1OC 1308255980 YXTWOXINJMWSDF-UHFFFAOYSA-N 426.738 4.844 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C 1310862759 VBIVDWXCJOABMH-MGPUTAFESA-N 432.362 4.827 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(C)(F)F)cc1 1314197456 FYPPWPJFXHCQMM-VGSWGCGISA-N 447.530 4.992 30 10 IJEE CN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCc1cc(C(F)(F)F)ccn1 1314839918 HFXHLMMIXDTPOS-UHFFFAOYSA-N 440.473 4.710 30 10 IJEE C=CCN(C(=O)c1c(Cl)nn(C)c1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1348496486 AKLDCLQJRFFIIT-UHFFFAOYSA-N 438.296 4.591 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)CCCN1C(=O)OC(C)(C)C 1352948526 SXYNCOIRVKHYAW-OSPHWJPCSA-N 439.581 4.780 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@H](COC)C1 1358910846 DAEAGSJMMNNJCJ-FQEVSTJZSA-N 433.556 4.657 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1358969933 AKXUIGNUMYVXNB-QHCPKHFHSA-N 441.579 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCOC(C)C)CC1 1359175929 GBBNHMVCPVKSBS-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1359186902 WTPOTNJNGDDZHI-GGAORHGYSA-N 446.599 4.942 30 10 IJEE C=CCCCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359206015 RBZROCDBAJTHIF-PXNSSMCTSA-N 447.505 4.793 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359217062 MPHSUODRDJCTTC-UHFFFAOYSA-N 440.979 4.738 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1359229245 CFIVIIARKXGXCD-VQTJNVASSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCN1CCCC[C@H]1C 1359234729 YYAISKXIQDUONH-OAHLLOKOSA-N 438.439 4.656 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCCc1nc2c(s1)CCCC2 1359271086 KQKMRRWNGMVINI-LJQANCHMSA-N 427.618 4.666 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1359337735 ZAVRFBYCRMSTJE-KRWDZBQOSA-N 429.565 4.606 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 1360589682 NXPLKHFBIWAQCI-UHFFFAOYSA-N 426.925 4.626 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@H]1CN(Cc2ccccc2)C[C@]1(C)c1ccccc1 1435177098 SQMMPGAZTRFUSZ-GGXMVOPNSA-N 440.587 4.958 30 10 IJEE Cc1cc(F)c(Br)cc1NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1436130183 YKJKQDSVTJFDFS-OAHLLOKOSA-N 442.329 4.812 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)cc1OC 1452964591 YJQGUZNHKOGYPB-CKDFRHGISA-N 436.335 4.772 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(C(F)(F)F)c2C1 1454536415 GKQCAKKOYIKTLA-GOSISDBHSA-N 426.479 4.840 30 10 IJEE C#CCN(C(=O)COc1cc(C)ccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1456449324 PHOFOUSSDREXII-SFHVURJKSA-N 448.744 4.775 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 1460086691 APCGHWRLYUPRKV-UHFFFAOYSA-N 434.565 4.576 30 10 IJEE Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1460087310 FFWMBEUYAUIFMT-UHFFFAOYSA-N 427.533 4.940 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@@]2(c3ccccc3)CCCCC2=O)sc2ccc(C#N)cc12 1463697817 ICPGCJWZZDRSIZ-HSZRJFAPSA-N 438.574 4.741 30 10 IJEE C=CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1464950648 LMASJSIVXGPPPT-UHFFFAOYSA-N 431.558 4.596 30 10 IJEE C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1465485803 ZNFBNNZYEKPRSS-QUCCMNQESA-N 445.560 4.719 30 10 IJEE CCCOc1ccc(C(C)(C)NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 1469863121 BEWQGLGDYWRDEJ-UHFFFAOYSA-N 436.556 4.667 30 10 IJEE C=CCONC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1470185752 PLAHRVXUOKEAMW-QGZVFWFLSA-N 427.701 4.942 30 10 IJEE C=CC[C@@H]1CCN(C(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1470435717 SOTAZILOUXJNRQ-UXHICEINSA-N 432.564 4.976 30 10 IJEE C=CC[C@H](C(=O)NCc1cc(Br)cc(Br)c1N)c1ccccc1 1471956252 XEHCFHWKDKDINP-HNNXBMFYSA-N 438.163 4.770 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 1473313561 BEWOTWOBUZUJTI-DOAHWQAKSA-N 425.960 4.971 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)C1 1476005506 AFVLYFYPRWGUHO-OAHLLOKOSA-N 449.370 4.712 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1476151013 SCMBRTAZUIBERI-SIKLNZKXSA-N 441.572 4.732 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 1507596693 NCMJOMDDLWKVSQ-ISKFKSNPSA-N 449.643 4.847 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1nc(C(C)(C)C)cs1 1507618158 IMWSRXAALKSYCU-UHFFFAOYSA-N 437.613 4.540 30 10 IJEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507673178 OIGUDDHHQRSQAN-UXHICEINSA-N 444.501 4.656 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccccc1OC 1507681007 PSKGSZQPWSMYAO-SFHVURJKSA-N 434.609 4.842 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC[C@H]1C[C@H](F)C1 1507702139 FLQHSPXNBHMIMR-XGAFWQRZSA-N 426.536 4.848 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(F)(F)CC1 1507837155 JQHHIZYMFAOQHM-UHFFFAOYSA-N 427.499 4.630 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507847042 DUTWHLCQJLASHL-FQEVSTJZSA-N 436.522 4.825 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOC2CCCCCC2)CC1 1507877220 CUFLUBJLXNSNFK-UHFFFAOYSA-N 448.409 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1CSC 1507910715 BKTIFPDHBRDTJS-OAHLLOKOSA-N 438.439 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1507922722 GSSVTFXGHIMALH-JOCHJYFZSA-N 435.547 4.583 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1507925824 JDKVIXSSTHLQGM-UZUQRXQVSA-N 448.970 4.868 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](CCOC)C1 1507931946 JIEWJKJELBVUTB-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1ccc(OC)nc1OC 1508007299 ZHSVZIAQZKYWTN-UHFFFAOYSA-N 439.585 4.650 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1508050776 KSCQTFQOUGOQRF-SFTDATJTSA-N 428.577 4.567 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1508832100 BBDJVGXSRMLESE-UHFFFAOYSA-N 444.583 4.942 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Sc4ccncc4)cc3)CC2=O)cc1Cl 1519992780 HWHCRBHJIWJKIP-MRXNPFEDSA-N 448.935 4.749 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(N2CCNC2=O)c(C)c1)c1ccc(C(F)(F)F)cc1 1526560007 DONHITBJLAREGY-LJQANCHMSA-N 431.458 4.981 30 10 IJEE C#C[C@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)c1ccc(Br)cc1 1528491414 YQPLFOVMEMVIOY-SFHVURJKSA-N 442.744 4.760 30 10 IJEE C=CCc1cc(CNC(=O)c2nn(-c3ccccc3Cl)cc2C)cc(OC)c1OC 1528662455 WRIJAGKBTQDCOL-UHFFFAOYSA-N 425.916 4.510 30 10 IJEE C=CCCSCCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 1531713828 XJZVEQQKVSSWQQ-UHFFFAOYSA-N 434.403 4.553 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c1 1534422217 PQGCDYHNNGGBNX-UHFFFAOYSA-N 427.504 4.521 30 10 IJEE C#C[C@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)n1)c1ccc(Br)cc1 1535484091 WIPZSCAYBPFTEQ-AWEZNQCLSA-N 425.248 4.631 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 1537443695 BCKSCJKVZIVEHB-UHFFFAOYSA-N 442.494 4.710 30 10 IJEE C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1538945840 HSLSCOAVJIPZSU-IBGZPJMESA-N 429.495 4.627 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1539127773 PCLOOMRIRXJJMS-GOSISDBHSA-N 440.642 4.505 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)CN1CCCCC1 1539154599 QKVGLSNLLJHOQW-OAQYLSRUSA-N 444.627 4.544 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(CC)CCC(F)(F)F 1539160933 FUHKSZZLSASSTF-UHFFFAOYSA-N 448.320 4.596 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1csc(C(C)C)n1 1539350280 GHVZAPNTXVCJEF-UHFFFAOYSA-N 445.539 4.829 30 10 IJEE C=CCc1cc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)cc(OC)c1OC 1539404842 DRQCELBGUZGQKK-UHFFFAOYSA-N 444.369 4.948 30 10 IJEE C=C(Br)Cn1c(N(CCOC)CC2CC2)nnc1C1(c2ccccc2)CCC1 1539609425 NKCUVJODRIWNDG-UHFFFAOYSA-N 445.405 4.520 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OCCC)nc2)CC1 1539874334 DLQQHSQEHNYDSV-UHFFFAOYSA-N 433.556 4.588 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1C1CCC1 1539947372 LFJINICNOHWDID-NRFANRHFSA-N 442.007 4.987 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)C1=O 1539964876 RVKUHQPHNXBFES-QGZVFWFLSA-N 437.298 4.784 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](c2nccs2)C1 1539988744 BYFNQUCVIUGEDE-GOSISDBHSA-N 445.976 4.608 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1540041917 GLQIPNNXOWOQOQ-IBGZPJMESA-N 428.552 4.605 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCc1nccs1 1540180616 RNTMMAXIQWIASZ-UHFFFAOYSA-N 430.581 4.583 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCSC1 1540185089 LVXGJIRLIBZCEF-LJQANCHMSA-N 438.597 4.925 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1540360548 WJPLSFQSURHZPV-UHFFFAOYSA-N 429.851 4.848 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)C1 1543765458 GTKDZXUZXKHCQE-QZTJIDSGSA-N 448.571 4.793 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)/C=C\c1ccc(F)cc1 1561208788 PNQCRXUHYLBOIW-LUAWRHEFSA-N 428.298 4.716 30 10 IJEE C=CCC[C@H](NC(=O)NCCNC(=O)c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1564406217 BJYSHDYWALEAIF-FQEVSTJZSA-N 433.474 4.750 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CSc1nncn1-c1cccc(Cl)c1 1567637170 ILHRLYXJDJMOFM-UHFFFAOYSA-N 428.945 4.549 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1ccc(F)c(F)c1 1585435351 MKDDMVVBUMGIJO-KSFYIVLOSA-N 448.535 4.575 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C(F)F)nc2)nnc1-c1ccc(Cl)cc1 1586666668 RBSBEALKUNGODV-UHFFFAOYSA-N 435.887 4.848 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 1587008264 GLXFRSWUVFZEIQ-UHFFFAOYSA-N 431.923 4.962 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCSC2(CCOCC2)C1 1587827839 ZQEBXCZBUHFFKO-UHFFFAOYSA-N 438.641 4.758 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)c(F)c1 1588099146 IAUKZYAWBCBSMI-INIZCTEOSA-N 436.531 4.531 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCCS1 1588180541 HKNHIANEGAWCLI-WZONZLPQSA-N 443.016 4.820 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1589546789 RJTQVKVPDOTEPA-RRPUWOKSSA-N 442.604 4.627 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 1589715061 AFTLGKJVLLYVFT-IBGZPJMESA-N 429.584 4.692 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)c1cccs1 1593735488 IFKPMDXHBAANOC-IBGZPJMESA-N 448.596 4.982 30 10 IJEE C=C(Cl)Cn1c(CC)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1593889143 BOIQDIMVVDTUIF-UHFFFAOYSA-N 434.293 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1594483713 AFLNLTYLSRLPJI-UHFFFAOYSA-N 432.494 4.936 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1594608084 DZLHMPSJVSCGOA-FZYZMVIOSA-N 437.613 4.940 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@H](C)O)cc1 1595250831 JYXOOVRHMBBAAY-FQEVSTJZSA-N 443.551 4.578 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc(C)cc(C)c1 1595307483 AIVDKWOELAEUTF-DHIUTWEWSA-N 440.632 4.695 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)c3cc(F)c(N4CCOCC4)c(F)c3)c2C#N)C1 1595552832 BBRTUBGCQRCLIP-AWEZNQCLSA-N 445.535 4.748 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)C(C)(C)C1 1595658704 JBRZPISRGCEXTB-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cn(-c2ccc(Br)cc2)nc1C 1597010474 MFLDLTXYBOXCAY-UHFFFAOYSA-N 440.341 4.780 30 10 IJEE C=CCn1c(SCCCN2CCN(c3ccccc3)CC2)nnc1-c1ccc(F)cc1 1613279761 OIGGOTKUBUDDAP-UHFFFAOYSA-N 437.588 4.575 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1615819669 DUUOBDQDBFAZGG-PKOBYXMFSA-N 447.052 4.837 30 10 IJEE C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1616285303 USHCUQHIASTGDY-KPRDYVAISA-N 431.298 4.858 30 10 IJEE COC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc(F)c1Cl 1617160552 ATLIQAKTHKIOGG-UHFFFAOYSA-N 438.842 4.969 30 10 IJEE CO[C@@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1618973765 FANLHLBMGFHAJL-WIOPSUGQSA-N 432.572 4.603 30 10 IJEE C=CCCCN(CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 1622796219 BWFRHFXLYJGCOC-QZTJIDSGSA-N 431.577 4.927 30 10 IJEE CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 1622956837 CQTDEQOAGPVGJH-HKUYNNGSSA-N 436.512 4.729 30 10 IJEE C[C@@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1624981841 CKEQMCGBZFPDEY-DVECYGJZSA-N 444.579 4.767 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@H](C)CC)CN(C(=O)OC(C)(C)C)C1 1626054207 OGMUAKJWZGLTBP-OXQOHEQNSA-N 426.561 4.580 30 10 IJEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 1628370869 TYZRAAWPZPDILF-UHFFFAOYSA-N 442.475 4.562 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 1634390027 WGCQDOBBJLGLKQ-QHCPKHFHSA-N 434.561 4.973 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1638874956 XMQBVOSBYYLZPR-HXUWFJFHSA-N 430.548 4.519 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1640186231 DEHHDMLVLWVEFS-PPHZAIPVSA-N 430.548 4.566 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1ccccc1F 1640706528 TUJCYILFDWPBIS-LJQANCHMSA-N 426.492 4.697 30 10 IJEE CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C1CCN(CCC(F)(F)F)CC1 1642569038 HDCKVBYIIBJLFI-UHFFFAOYSA-N 430.474 4.791 30 10 IJEE C#CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1650883746 UAUSUUBJCSQQOW-UHFFFAOYSA-N 439.364 4.636 30 10 IJEE Cc1ccc([C@H]2C[C@@H](C)N(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)C2)cc1 1653462801 HGJQBQUMXKDTLR-GCJKJVERSA-N 430.552 4.743 30 10 IJEE CCN(C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 1657036755 GIVQYGKLXMDFBK-HFZDXXHNSA-N 447.604 4.969 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1cc(F)c(Br)cc1F 1659604364 LSYFWJLFWKJUJU-JTQLQIEISA-N 427.220 4.761 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 1661260877 JIRBECVLTNVREH-HNNXBMFYSA-N 439.478 4.997 30 10 IJEE Cc1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1NC(=O)OC(C)(C)C 1663575274 GYLNYBTXADQQKY-UHFFFAOYSA-N 449.555 4.958 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1F 1669489347 CVKPBYBRBHSGHR-UHFFFAOYSA-N 433.468 4.595 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)CC1 1673342221 HETDSWZWRPXUGJ-UHFFFAOYSA-N 446.320 4.600 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1)c1ccc(Cl)cc1F 1678963851 AXISRJHDERPRQF-YJYMSZOUSA-N 426.879 4.826 30 10 IJEE C[C@@H](NC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1)c1cccc(C#N)c1 1684082693 FWDMFCPCWCJTSW-KUHUBIRLSA-N 430.371 4.958 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 1686606127 UOUNYLDPNNCXRD-IBGZPJMESA-N 439.560 4.660 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCSC1(C)C 1690009198 XOTPZEWFATYSBE-HNNXBMFYSA-N 433.408 4.856 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN1CC 1690192495 ALVYTPHRTYVWIR-VVZHRXSXSA-N 435.616 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1690251169 QBIOGNZYODURMV-DENIHFKCSA-N 446.517 4.743 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cc(Cl)ccn1 1690500306 QVDVITKXLVVBCP-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1C[C@]1(C)OCCc2sccc21 1690609748 YXHCURYVIMCHRL-DEOSSOPVSA-N 440.613 4.854 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2c2ccsc2)nnc1[C@@]1(OC(C)C)CCOC1 1690752537 LJJRJQPUMBFSEI-SIKLNZKXSA-N 448.658 4.641 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705528216 YSTPCYIVIWPXGA-HNNXBMFYSA-N 444.860 4.699 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1705689191 FEGVAXUEVMAUSV-JKSUJKDBSA-N 441.464 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](C)C1 1705709647 CMKDGFYWVOBLIR-PKOBYXMFSA-N 429.996 4.700 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](SCC)C1 1705720410 VVLKIUHIQYTVSA-LJQANCHMSA-N 448.036 4.550 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccco1 1705789525 NULPTYPVKGFJSU-UHFFFAOYSA-N 446.555 4.507 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(C)no2)C1)c1ccccc1 1705797475 XCKLVKVDQDRVIF-FCHUYYIVSA-N 434.588 4.912 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1705816107 UZXFTKXMFYDFED-QFIPXVFZSA-N 437.975 4.910 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1705818025 YKZIKORZLTUOQJ-FXAWDEMLSA-N 434.943 4.509 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@@H](F)C1)C1CC1 1705853685 DGQDCRUGVJSQIT-PKOBYXMFSA-N 447.599 4.686 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CCOc1ncccc1Cl 1705877339 CSIFSZUIOIECCN-UHFFFAOYSA-N 439.991 4.938 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)nc1 1705877796 DOENSEMIKRIAFN-UHFFFAOYSA-N 444.627 4.755 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccccc2Cl)C1 1705921767 YXBIHCNAMAPBAG-GOSISDBHSA-N 444.366 4.671 30 10 IJEE CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCN(CC)C(=O)OC(C)(C)C 1709612426 HQTVRCKRGYTUFK-UHFFFAOYSA-N 440.592 4.700 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cscc1C(F)(F)F 1722342989 AXUHPYKVIQYJDD-UHFFFAOYSA-N 430.499 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC1CCOCC1 1722501777 JXONUCFMZMSWNG-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1 1722501932 HEYKGOHYAKYQCY-KXBVSRLSSA-N 449.599 4.725 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1722521424 KUYBALBIECWRDP-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](CC)c2ccccc2)CC1 1722568303 GSZHXHOXEFIHKU-IBGZPJMESA-N 435.597 4.620 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722585921 NKBQITXZHFDTTI-LMMKCTJWSA-N 428.646 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1722586161 VMIYUAAIIYGPPG-RUZDIDTESA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722602099 POZUJFLPHWYEKY-BSRJHKFKSA-N 430.980 4.728 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)SC)C1CC1 1722645490 OMPDMCIIJMGJTE-ZDUSSCGKSA-N 437.407 4.623 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC(F)(F)C1 1722652472 GUXOCKBFQKZATM-LJQANCHMSA-N 439.510 4.977 30 10 IJEE CN(Cc1ccsc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1729440341 GHVNPMMNSZXMGG-JOCHJYFZSA-N 439.610 4.712 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1740581127 QEAJJRWZWDFQPY-HTAPYJJXSA-N 429.927 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC[C@@H]1OC 1740767106 PMWXZOBOXHQAAN-UEXGIBASSA-N 448.995 4.525 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCN(CC)C(=O)OC(C)(C)C 1740770370 PUVJILNGBNZRCW-UHFFFAOYSA-N 448.999 4.653 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCCC1 1740781481 KCBDKHHBXLDSPU-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccccc1OC 1740857617 SPSZVSAZGRQXSH-HXUWFJFHSA-N 446.555 4.632 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)CC1 1740863698 DIZSCSHWGGUXHC-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1740886733 QOCZMIWWUVKXFD-YLJYHZDGSA-N 444.626 4.551 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SC)c1 1740892747 ZDKUNIWRKSYEDC-HNNXBMFYSA-N 429.977 4.859 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)c1c(C)noc1C 1740894968 ODSYDBKSQDQVCG-INIZCTEOSA-N 439.560 4.772 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)SC)C1CC1 1740913676 RAUUWWXEUZDDFN-KRWDZBQOSA-N 435.638 4.647 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N1CCCCC1 1740927307 DYTHZFQYWRUCFF-UHFFFAOYSA-N 448.398 4.833 30 10 IJEE C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccc(Br)o1 1740946459 SAXRGJVVPWAZHI-UHFFFAOYSA-N 440.301 4.778 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 1740997359 YWADVUJAQQHPTB-OAHLLOKOSA-N 426.508 4.712 30 10 IJEE Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)sc1C 1742041341 DXPZIFYINUDJIG-ZBFHGGJFSA-N 442.564 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1748641165 DRNCLEWTIGCRAX-WCIQWLHISA-N 444.023 4.650 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(Cl)nc1 1748876327 BONTZTAYCIHWAT-UHFFFAOYSA-N 444.753 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749128115 SFIAGIXREXCCJG-RXVVDRJESA-N 428.602 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCc2nccn2C1 1749146783 NDRQASBGXLEHHS-INIZCTEOSA-N 428.943 4.599 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)Cc1ccccc1 1749193227 BOAUNZWVAKPQFD-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1749284128 GATRLNJNRHFLNZ-ZJPYXAASSA-N 425.017 4.589 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN(C)[C@@H](C)CC)CC1 1749294283 UYUOWAOHQUQRQS-FQEVSTJZSA-N 441.620 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CC(C)(C)OC[C@@H]1C 1749376241 SVTGKNURZHPNKY-IBGZPJMESA-N 442.604 4.862 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1749392950 FVZVPDDGECFBNE-NHCUHLMSSA-N 426.561 4.670 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)c1ccccc1 1749426495 CZLIHOASRQXBCM-NRFANRHFSA-N 445.615 4.658 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(CC)CC)cc1 1749506697 MBPSMMWQEMRFCA-FGZHOGPDSA-N 425.621 4.713 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CC[C@@](C)(O)c1ccccc1 1749550645 FXGZRGILEDIKBR-XMMPIXPASA-N 433.581 4.825 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1Cc1cc(Br)cs1 1751097118 DUKQOMOXXJVBBS-HNNXBMFYSA-N 444.402 4.674 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1752014906 DRMZMGAUZYDVNY-IEGUWTFLSA-N 427.980 4.934 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760146638 RKFNGLZWQCLCKY-RBBKRZOGSA-N 448.640 4.573 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1sccc1C 1760194821 RBJHSDYHEZOJKC-SFHVURJKSA-N 438.984 4.757 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760237714 SGANPJGRWLRVPV-ZJSXRUAMSA-N 438.616 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1ccc(NC(=O)c2ccco2)cc1 1760288669 ICYGZHBYFBPQPD-AVRWGWEMSA-N 431.540 4.677 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1csc(C(C)C)n1 1760291979 KVSKAPASXGUFEA-XMMPIXPASA-N 430.581 4.631 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)C2CCCCC2)CC1 1760404643 DUJNCRYFKXRKMY-SANMLTNESA-N 438.616 4.899 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCCS2)CC1 1760406106 SMLFKTGHODKNCQ-HXUWFJFHSA-N 442.629 4.944 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS[C@@H](CC)C1)c1ccccc1 1760417691 HACJBBGZYFGVIP-VSKRKVRLSA-N 426.630 4.864 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NC(=O)CCC)CC1 1760423906 PQGYLXYNZOVQEX-UHFFFAOYSA-N 446.599 4.735 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnccc1OC 1760491487 JENFBIDHXFFUEP-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(OC(C)C)nc1 1760492216 KXMRQMAHIZQIHQ-UHFFFAOYSA-N 440.551 4.902 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cc(CC)n(Cc2ccccc2)n1 1860998147 SEVYJRFAWXHYOW-QHCPKHFHSA-N 440.632 4.869 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc(Cl)c1 1862385824 YMXFDOHNMJPOMO-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(OC)c1 1862448595 QOOXSRVWOLZUMP-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(OCC)cc1 1862460276 UVFADQXIIGWDOT-FQEVSTJZSA-N 433.426 4.881 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862478671 NSOKXKXRLITDSU-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Br)ccc1F 1862483438 ADRIDROYPAXPHX-GOSISDBHSA-N 430.273 4.661 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1F 1862523660 MKRBAKDTNIZNTD-GOSISDBHSA-N 432.289 4.823 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)cc1 1862613232 GDJANXQTQGLFLC-JOCHJYFZSA-N 437.536 4.693 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1F 1862645970 UWKWZTNVSYKKNB-GOSISDBHSA-N 436.266 4.882 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2F)cc1 1862662968 OJTRIDUTTKODIW-HSZRJFAPSA-N 447.510 4.814 30 10 IJEE COc1ccc(C2=C(Nc3ccc(F)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961747 KIDSNPLEOGTGMM-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2ccc(F)c(C)c2)C1=O 1863790833 QQZSYODSDZHOIV-UHFFFAOYSA-N 426.491 4.779 30 10 IJEE Cc1cc(Br)c2[nH]cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c(=O)c2c1 1866453719 LESJBTYJPCAFBW-UHFFFAOYSA-N 442.338 4.663 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccco2)n(-c2ccc(Cl)c(Cl)c2)n1 1870004073 SPTVHPARLKIBKQ-CSKARUKUSA-N 444.322 4.997 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN(C)CCCC 1870631626 GHOGYNGRMVVTFI-UHFFFAOYSA-N 435.653 4.688 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc3ccccc23)c(=O)cc1CN1CCCCCC1 1870701250 XYRQZUQPKHJCTB-UHFFFAOYSA-N 445.563 4.581 30 10 IJEE C=CCOc1cn(Cc2ccccn2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870812422 UBBBIXDFMKCZSH-UHFFFAOYSA-N 432.568 4.623 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(O)cc4)ccc3C2=O)c2ccccc21 1871442361 CICZGLWJPMSNRA-MSXFZWOLSA-N 440.455 4.518 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccn2)nc(Nc2ccc(CCCC)cc2)[nH]1 1871501021 MEFCRROCHLCKPH-UHFFFAOYSA-N 429.572 4.565 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cccs1 1872080446 ZADUUEFNNAOEPF-FQEVSTJZSA-N 434.627 4.931 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872132050 ALQMUPHBAWKMBE-NRFANRHFSA-N 446.638 4.549 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872775725 YKJCSESNHFZPRP-CYBMUJFWSA-N 427.825 4.590 30 10 IJEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)CNC(=O)c2ccccc2)n1 1872777395 MPNCDPBQWQRCKV-IBGZPJMESA-N 447.560 4.722 30 10 IJEE COc1cc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3)n2)c(OC)cc1Cl 1872782388 IQKBJGYFYLTDCX-HNNXBMFYSA-N 428.897 4.736 30 10 IJEE CCCc1nnc(S)n1/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c(C)c1 1873499690 IWMZBFSNRDXDBH-ZVHZXABRSA-N 432.553 4.571 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)/C=C/c1ccccc1Cl 1873710429 DHTSMBRFYPKCAC-VAWYXSNFSA-N 437.952 4.743 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2/N=C/c2ccc[nH]2)cc1 1874296203 PGMDXKCJPNUVQY-ZVHZXABRSA-N 432.509 4.588 30 10 IJEE Cn1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)c2ccccc21 1874448125 UOHGTYSFHLKBMG-LHXREVONSA-N 435.528 4.935 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccccc1F 1874478091 SPGFILNMFYIRNF-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2)o1 1874493154 XZBULXXZMJXWSX-FSJBWODESA-N 428.489 4.629 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1)Nc1ccccc1F 1874493608 VVRPTWXCCBOSQN-WYMPLXKRSA-N 443.935 4.951 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1c[nH]c2ccccc12 1874504052 IFNOCBSKGFWCKN-CVKSISIWSA-N 446.580 4.887 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 1874520966 TZQCPUZCAGATAH-FSJBWODESA-N 426.929 4.770 30 10 IJEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 1874530394 GUWFTTWUYLIXAM-BUVRLJJBSA-N 437.569 4.687 30 10 IJEE Cc1ccccc1CSc1nncn1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874534622 RUPLUKFVWSHLPC-CVKSISIWSA-N 428.517 4.980 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874581785 GGQYSBOEOALVKW-PKNBQFBNSA-N 443.499 4.988 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(OC)cc(OC)c3)c2)cc1 1874697220 XDKKBVBEUXFCKX-VZUCSPMQSA-N 448.471 4.836 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)[C@@H]1CCCO1 1874715098 CXYIMKGWFNZQMI-IEJURRBGSA-N 430.884 4.646 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 1875117469 HHKAMQLUSWVKIN-SWGQDTFXSA-N 448.387 4.627 30 10 IJEE Cc1cc(C#N)cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1952853227 LUAIMFMOSDDCBB-SQHAQQRYSA-N 438.483 4.705 30 10 IJEE CCCCC#CC[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2024367364 JLWBNDPRFYMTMW-RPWUZVMVSA-N 429.649 4.964 30 10 IJEE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@](C)(O)C(C)(C)O)C[C@@H](O)C[C@@H]1O 2053589017 KRGCLKZOZQUAFK-IDJIETBFSA-N 444.656 4.842 30 10 IJEE CCc1nn([C@@H](CC)c2ccc(SC)cc2)c(I)c1C=NO 2080103981 CIMBNYGRGPAUCZ-HNNXBMFYSA-N 429.327 4.580 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2110497229 FQVYGHVLDKNFMM-DLBZAZTESA-N 443.813 4.930 30 10 IJEE N#Cc1cc(F)c(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1Br 2148946484 QIMGGTJMWSPDAT-PKOBYXMFSA-N 428.349 4.808 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)c(Br)c2F)C2(CCCC2)C1 2174809676 CMBBUYQHQBRRRC-CQSZACIVSA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181052623 GKTSLRZPJRXDPE-UONOGXRCSA-N 436.350 4.590 30 10 IJEE N#Cc1ccc(O[C@]2(C(=O)O)CCCC[C@H]2OCc2ccccc2)c(Br)c1 2197254083 QFOHDJCLSMQDKD-TZIWHRDSSA-N 430.298 4.682 30 10 IJEE N[C@H](C#Cc1ccccc1Br)c1ccc(I)c(Cl)c1 2227468951 BMFQTDFRTHTKOQ-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H](N)C#Cc1ccccc1Br 2235726120 JRPDBPRVOLJIFA-WOJBJXKFSA-N 435.406 4.992 30 10 IJEE C#CC[C@@H]1CCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2244546117 HDNBPFAUTWCZBU-OUDXUNEISA-N 444.575 4.954 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)cc1F 2268638145 HQPLIBVRFTXILT-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)ccc1OC 2293730046 WQZHSECHRWWCDY-UHFFFAOYSA-N 440.521 4.504 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cccc(C(=O)O)c3)[C@@H]2c2ccc(C)cc2)cc1 2296145130 VMVHMJCPOWVXHA-JOCHJYFZSA-N 427.456 4.628 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1C(=O)C#Cc1cccc(Br)c1 2296221286 HMPKHIHTIWEUSQ-IBGZPJMESA-N 432.358 4.940 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2296224150 HJVKNNPQUHQXBM-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296271968 INFAUTOHAAKEDL-OALUTQOASA-N 435.406 4.718 30 10 IJEE COc1ccc([C@H](N)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1 2296281337 KGVWGRQDTDUSFI-GOSISDBHSA-N 431.330 4.856 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2296288142 CNOVSNQLONGXTP-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCOc1ccc(C=NNc2cc(C)nc(-c3ccc(Br)cc3)n2)c(O)c1 2297708734 KTGRQMOTYVMWLC-UHFFFAOYSA-N 427.302 4.765 30 10 IJEE C=CCN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=Nc1cccc(C(=O)O)c1 2314548080 POCXQUFEHROPAI-UHFFFAOYSA-N 435.461 4.639 30 10 IJEE Cc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C2CCC3(CC2)OCCO3)C4)c1 2322216128 JVEMEYUBQBXEMV-UHFFFAOYSA-N 447.531 4.757 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 2323676172 UJOVOTXIUVNAMS-UHFFFAOYSA-N 448.269 4.585 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1cccc(C)c1 2323719337 JPBCDNUSPOURSH-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)o1)C2=O 2324474250 VIRNTCPLLLYCCC-MRXNPFEDSA-N 433.460 4.927 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2324989468 MRVWFHYWGPCLCF-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(=O)O)ccc3C2=O)cc1 2325152497 MPQFSVCYPLVCPE-UHFFFAOYSA-N 443.455 4.581 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cnc(C)cn3)c2)cc1Cl 2325767298 KSYIRVRVVRFWRS-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CCCOc1ccc(C=Nn2c(CCCOc3ccc(OC)cc3)nnc2SC)cc1 2326228858 FBZAREWUVWULSW-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE CCOc1c(OC)cc(C=Nn2cnnc2SCc2ccccc2Cl)cc1OC 2326532767 YJOYZNJIIOJFKF-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCc2cccc(C(=O)OC)c2)cc1 2326749930 VIAAYRPMZDSHTQ-UHFFFAOYSA-N 438.553 4.808 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(OC)cc1 2326765429 KPIMJTNZOWEDBU-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(O)c(OCC)c1 2328858143 RBCWPDVWARZRPE-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1O 2330471204 KBPPAFGDCQBNIP-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccn1 2330576454 VOGQUFWCUCSAIB-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE CCOc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)ccc1O 2331122809 NDMZEQJGQHGAJY-UHFFFAOYSA-N 436.459 4.884 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2)c1C 2331364807 ZNUNJAKHUQLOKS-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC(=O)COc1ccccc1 2331377074 FJCQKUTZFHZBQB-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(CC)cc1 2331467459 ULEOLIIHTAGZBK-UHFFFAOYSA-N 429.634 4.662 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)C=Cc1ccccc1Cl 2332148090 ILJWRWFQGOUEKA-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(Br)cc1I 2339577687 VWAUMAPWHMIBOC-XHDPSFHLSA-N 432.143 4.754 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)c1 2364931493 DXCRGSWFEZOBBO-UHFFFAOYSA-N 449.360 4.972 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2365166136 BNIBYGJKPLKFOO-IPJJNNNSSA-N 433.390 4.568 30 10 IJEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 21258680 LMCVFLYQZZOVCV-RXVVDRJESA-N 434.492 4.634 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2ccco2)cc1 35567624 JURLDDNYVZEZNX-IBGZPJMESA-N 438.505 4.530 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCC)c1 40096019 MCCSGQMOXMLBRI-QMHKHESXSA-N 435.520 4.787 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc(Br)cc2)S/C1=N/c1ccc(F)cc1 100992122 HRDARPDOPDKGSF-HLNJFSBGSA-N 447.329 4.979 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@H]2c2cccc(Cl)c2)cc1 102904193 JBSLRUBJWYHTCM-VZCCSQPZSA-N 440.908 4.822 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 169949784 KKJZUFKKGGDAEY-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 169975516 DMDDCWPYOHTVAN-DEOSSOPVSA-N 435.564 4.918 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc2ccccc12 170046478 BNCCWWGYSSDMKO-DEOSSOPVSA-N 440.499 4.726 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 170050863 AQGFBHSGOVQPQW-QFIPXVFZSA-N 445.446 4.704 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2)cc1 170054518 INIAJFPSZZWDNG-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2C)c1 170086433 IBPLVQUCOIDSNX-XMMPIXPASA-N 441.483 4.721 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170123909 LIRYGWMMFCJGGS-GYCJOSAFSA-N 447.531 4.930 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142448 YDVUYZMMRCTXGW-JOCHJYFZSA-N 439.427 4.558 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2C)c1 170142899 PUHKRSNTEHHFII-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCN(C)C)c1 170146177 LCNPGLCHGVFIDL-DEOSSOPVSA-N 428.532 4.678 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccncc2)c1 170200530 SVSNGVWWNGBYDQ-XMMPIXPASA-N 440.499 4.806 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1ccc(O)c(Cl)c1 170219763 MUBFXPVMNXNZOI-HXUWFJFHSA-N 429.900 4.741 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)ccc1OCC(C)C 170230190 WHERTLOUYKVGCA-ZJSXRUAMSA-N 449.547 4.787 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccco1 170292192 XGVBVMFNUIXGBK-SFHVURJKSA-N 427.840 4.622 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(C)o1 170304273 XHKBQMZBQIWJSJ-QHCPKHFHSA-N 445.471 4.705 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(OC)c(O)c1 170322371 CJADHQHUEKEMPD-HXUWFJFHSA-N 441.867 4.789 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)c1OC 170412199 WSKSBEXSDQNFJI-NRFANRHFSA-N 449.528 4.852 30 10 IJEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1Cc1ccc(F)cc1 170424921 DYIIQNNVKWEKHJ-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccc(C(=O)O)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170468254 LPDMZHOPHSQQMD-OAQYLSRUSA-N 435.520 4.803 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@H]1c1cccnc1 170481703 PPOLMVDMLGZOGZ-INIZCTEOSA-N 431.876 4.609 30 10 IJEE COc1cccc(/C=C\C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1OC(F)F 209937638 ULIKCHYIBHRRKF-QIAWRQBBSA-N 427.234 4.998 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(O)/C=C/c2ccccc2)[C@@H]1c1ccccc1Cl 229051457 GORRAJAFVGSUAJ-CZWYABNYSA-N 438.955 4.660 30 10 IJEE CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@@H]1C=NN(C)[C@H]1C 251376942 RERQDWLOTGXDHK-ATLLOTDBSA-N 436.600 4.973 30 10 IJEE Oc1ccc2c(c1)Oc1ncn3nc(CON=Cc4ccccc4)nc3c1[C@H]2c1ccccc1 254498399 BKJFEKHXUXKSGZ-QHCPKHFHSA-N 449.470 4.667 30 10 IJEE CN1CCC[C@H](C/N=C(/N)N[C@@H]2CCOc3ccccc32)[C@H]1c1ccc(C(F)(F)F)cc1 304754448 LWSVIXWZYVPUSD-NQSCKRDGSA-N 446.517 4.516 30 10 IJEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 443464229 VEGYQBHDIMCJBB-UHFFFAOYSA-N 436.880 4.748 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccccc2CCC(F)(F)F)CC1 446339326 DUURQZPAOUXXON-UHFFFAOYSA-N 432.446 4.960 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H]2CCC[C@@H]21 460949807 CTHSYVHYIZMPQR-NQIIRXRSSA-N 432.572 4.581 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC(Cc3ccccc3Cl)C2)nnc1-c1ccco1 482865984 YZXFTCFIMDPDLP-UHFFFAOYSA-N 442.972 4.561 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 549266253 NAMMCPPJNOGROE-JXALWOEJSA-N 442.629 4.618 30 10 IJEE CC(C)c1ccc([C@@H](NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)cc1 550531719 GGKNLBWOOLAKKF-HSZRJFAPSA-N 431.561 4.607 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 558638333 ABKAOLKQEZRTBC-UHFFFAOYSA-N 431.458 4.814 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 577829510 UTXCCPHFWDSFEX-HUUCEWRRSA-N 437.407 4.598 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(NC(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 585823075 SGPGJHKFJIQKGX-UHFFFAOYSA-N 437.543 4.501 30 10 IJEE N#Cc1ccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(F)c1 609229579 ZPOFGOOXEQFZCG-UHFFFAOYSA-N 428.442 4.548 30 10 IJEE C=CCOCCNC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 679561118 OGULVKANRJZURW-UHFFFAOYSA-N 427.888 4.898 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 700603641 FVBMPKZPEJWIPF-XZWCOCNFSA-N 441.572 4.961 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 701304919 QIPQKAIMSIUEML-GJZGRUSLSA-N 433.337 4.717 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)Nc2ccc(C)cc2)cc1 729669248 SGLCVCDBBMWXIU-UHFFFAOYSA-O 437.541 4.666 30 10 IJEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(SCc2ccccc2)cc1 787060749 MWPBWBDYKARILE-QFIPXVFZSA-N 445.500 4.526 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(-c3nnc(CC)o3)c2)CCCN1C(=O)OC(C)(C)C 790700118 ZQSNYZIVCGURTI-HSZRJFAPSA-N 426.517 4.583 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1=S 797414379 AAXXWFBRMUBHHJ-HYFFOGBASA-N 449.020 4.536 30 10 IJEE O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c2O/C(=C/c2cc(F)c(F)c(F)c2)C3=O)O1 1081108701 FIYBMFOOTSNOBW-UZSVJVCZSA-N 438.357 4.867 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2ccccc2)n[nH]1)c1ccc2ccccc2c1 1084035713 HCAWLDJJFCSWOU-UHFFFAOYSA-N 430.537 4.915 30 10 IJEE CC(=NNc1nc(SCC(=O)c2ccc(F)cc2)n[nH]1)c1ccc(Br)cc1 1084183989 OGRBQNFGDWJQSU-UHFFFAOYSA-N 448.321 4.517 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccccc2)n1)Nc1c(Cl)cccc1Cl 1084186126 HVHUZNBYCGIGAT-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE CCC(=NNc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1)c1ccccc1 1084423240 VFYVGLAVRAVLSB-UHFFFAOYSA-N 444.358 4.768 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccc(Br)cc3)S2)c(C)c1 1084459286 YZPVDJHWMVDBPQ-KRWDZBQOSA-N 446.370 4.656 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1125577311 BEXFAQNHYCGBKY-UHFFFAOYSA-N 447.253 4.502 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cnnn2-c2cccc(Cl)c2Cl)c1 1125774400 RUSOQFWCMWRHAQ-UHFFFAOYSA-N 437.286 4.995 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c1 1134835873 DAGNLYODGMOQAC-UHFFFAOYSA-N 428.554 4.545 30 10 IJEE C#CCC[C@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1138991346 NETSGSQXHYDSJY-ZOECDYFQSA-N 440.543 4.624 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1OC 1143153904 YQJNYMXEQTVLIB-PKNBQFBNSA-N 434.580 4.822 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1OC 1156688414 UFIHJDQROAVZQX-LJQANCHMSA-N 445.357 4.739 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OC 1159490385 OYNOWQMIQQGSHU-RUZDIDTESA-N 444.572 4.656 30 10 IJEE CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3cc(C#N)ccc3F)n2)CC1 1160345989 BUBDKLQLOJBKBK-UHFFFAOYSA-N 430.505 4.521 30 10 IJEE C=CCn1c(SCC[C@](C#N)(C(C)=O)c2ccccc2)nc2sc(C)c(C)c2c1=O 1164583708 CMRJWZMASORNRO-QHCPKHFHSA-N 437.590 4.794 30 10 IJEE N#Cc1cn(Cc2noc(-c3cccc(Cl)c3Cl)n2)c2ccc(Cl)cc2c1=O 1188742836 AQZPWJLEYUWJLY-UHFFFAOYSA-N 431.666 4.932 30 10 IJEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H]1CCC[C@@H]1C(C)(C)C 1195277336 FHZRNELKNPERQQ-HARLFGEKSA-N 440.632 4.503 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCCC3=O)cn2)cc1OCC 1201549754 RCHGPCFERYKUTP-UHFFFAOYSA-N 446.345 4.547 30 10 IJEE N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(Br)c(Br)c1 1219861731 GUMGHDUSABNEPR-UHFFFAOYSA-N 438.123 4.554 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1)c1ccc(C(F)(F)F)cc1 1224641324 JKHRXRAVBLIZQF-WFXMLNOXSA-N 439.478 4.633 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1228393213 NWERSVKZKVNFCE-WQVCFCJDSA-N 436.375 4.585 30 10 IJEE Cc1cccc(N2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)c1C 1264091423 ASUGIXSOYWSHJP-UHFFFAOYSA-N 425.532 4.717 30 10 IJEE CCc1c(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)nnn1-c1cccc(Cl)c1 1264824118 CZNCIOIMQMSNFR-UHFFFAOYSA-N 444.882 4.794 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1OC 1271110113 ZRLUBKRCUCDCOI-JXMROGBWSA-N 425.485 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1ccsc1Br 1286297703 YQMXKYBRVVQELE-OAHLLOKOSA-N 429.387 4.508 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1286458596 ZDKFNXCIYUVCFK-JOCHJYFZSA-N 439.623 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(OC)C1CC1 1286515171 FJZNINGAKUCACR-FGZHOGPDSA-N 443.389 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C)C1 1286554310 XMVKMMOADDAJDK-HQRMLTQVSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CCC[C@@H]1C 1286567891 YDMKBVYJWSXAIM-HTAPYJJXSA-N 447.421 4.970 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1286659278 NGBTUDFRFVZGOL-MOPGFXCFSA-N 443.586 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286668713 VRMULNPLOMBDSJ-JOCHJYFZSA-N 437.632 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](CC)C1 1286676027 VGMWRVHDNTYDNR-FQEVSTJZSA-N 425.602 4.663 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1sc(C)nc1C 1286718973 HEXSHSZRTCFKAG-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CC1(SC)CCN(C)CC1 1286744456 JBRKUALSLGHKDN-UHFFFAOYSA-N 431.625 4.561 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1ccsc1 1286763410 ZEOLWJGSFVGGLC-UHFFFAOYSA-N 435.622 4.979 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)C1 1286814256 OMRNZOHBOPMMMN-GCJKJVERSA-N 449.020 4.574 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1)C(=O)OCC 1287776435 KIUZBJXARLUUKL-NRFANRHFSA-N 437.927 4.652 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)CC1 1288480407 MTWKWEXZVJOOJK-UKIBZPOASA-N 442.353 4.959 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc([C@H](C)CC)cc2)C(C)C)c1 1290594474 LFIPLUOJMWCOPW-JPYJTQIMSA-N 428.598 4.792 30 10 IJEE C=CCC1(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CCCC1 1297803778 KMUGXKUPFLULTO-UHFFFAOYSA-N 430.545 4.801 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCN1CCCCC1 1300321462 NCAWBKQBRYUYBH-JOCHJYFZSA-N 437.632 4.623 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1300349580 VBMKNLNHHCYTNY-JOCHJYFZSA-N 447.558 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cccc(COCC(F)(F)F)c1 1300805966 MKZRXSOFNYTBGW-HSZRJFAPSA-N 448.533 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](COc2ccccc2)C1 1300885086 NVFZOQBXNHAJPQ-DPLHUUCSSA-N 438.616 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1300890485 GYTDZIJBOJYJIY-GVUKDKGQSA-N 433.600 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1300909219 PAGMQNMVYVVLKG-DEOSSOPVSA-N 446.599 4.588 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCc2nc(C(C)(C)C)cs2)CC1 1301129464 UMPNQMJSRKXCJL-UHFFFAOYSA-N 436.629 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1301150118 MWFHAMGMEQPKMC-QFIPXVFZSA-N 444.627 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1301150652 ZFNWKKLDICFSHE-SFHVURJKSA-N 431.625 4.841 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1301175858 LASAKYHISAWMDS-UHFFFAOYSA-N 445.995 4.869 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301186058 QNLJHOFHHKSUQA-UHFFFAOYSA-N 438.526 4.610 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C1CCC1 1301197648 WRCIVOQXGODZHX-HXUWFJFHSA-N 427.980 4.597 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1301246350 SDOZDAKYHWUDGV-JOCHJYFZSA-N 435.572 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)nc(N2CCCC2)c1 1301379292 FRFVKPMASDIVSG-UHFFFAOYSA-N 449.990 4.524 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCCC[C@@H](SC)C1 1301468681 JSRMSFASDCBIMM-QGZVFWFLSA-N 437.407 4.528 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCN(C(C)(C)C)CC2)cc1 1301527357 XOGPFZFWJFIJRH-UHFFFAOYSA-N 439.648 4.790 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCOC(C)C)C1 1301542612 PKCIKUCGPMLOPV-QUCCMNQESA-N 444.645 4.728 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCc2sccc2C1 1305596315 AFABUHTWCKZPHD-LJQANCHMSA-N 448.640 4.809 30 10 IJEE C#CCN(CC#CC)Cc1csc(=Nc2ccc(OC)cc2)n1[C@H](C)c1ccccc1 1307496058 IPLNWDAKRFUGLD-OAQYLSRUSA-N 429.589 4.858 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCO[C@H](C(C)C)C2)cc1OCC 1308410227 OAMISDDLCXAEJR-LPHOPBHVSA-N 426.395 4.953 30 10 IJEE C#C[C@H](NCC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Br)cc1 1308784815 NVSFHKIVBGPYSM-HAYQSNGGSA-N 433.390 4.891 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccccc1 1310139239 NJWQHQLWZJWXQH-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE C#CCN(C(=O)N[C@H](CC1CCC1)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1312404938 OGYNKDCEGHNDRD-HSZRJFAPSA-N 439.600 4.962 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 1347796009 AIUUFGDNNNESPM-UHFFFAOYSA-N 449.532 4.598 30 10 IJEE C=CCN(C(=O)c1cc(C)cc(C(=O)OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350012847 PSULBJXUTVAFJP-UHFFFAOYSA-N 437.477 4.646 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CCCN1C(=O)OC(C)(C)C 1350240891 OEGWPNZKZZAJGA-AREMUKBSSA-N 444.535 4.961 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(C(C)C)c1I 1351335473 DEHKMYCNIFLIGZ-UHFFFAOYSA-N 449.745 4.612 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 1352482213 GTWPPOVVSHPVSH-HXUWFJFHSA-N 445.313 4.806 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)COc2ccc(C(C)C)cc2)c(C(=O)OCC)c1C 1352792746 DNZRUZKVGZHOGU-UHFFFAOYSA-N 445.537 4.717 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1 1358187280 WBJVTKSPTHOSOC-WYMLVPIESA-N 434.948 4.842 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1sccc1Br 1358893232 QKKJWOABLLNTML-HNNXBMFYSA-N 429.387 4.508 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(CC)s1 1358969123 HMSFYJRPUCIBIH-FQEVSTJZSA-N 432.593 4.780 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(CC)CC#C 1359049507 QUBPCJJYSFNIBU-SFHVURJKSA-N 431.005 4.514 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1csc(CC)n1 1359050099 GDPRNPCNRJZXFW-UHFFFAOYSA-N 432.018 4.620 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359061347 ZHRQZSMMONNBAP-NHCUHLMSSA-N 438.641 4.890 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1359120615 MNWPTEXNXUVSHE-PMACEKPBSA-N 448.615 4.534 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1359195415 LZPHLAPAMXVUIC-QFIPXVFZSA-N 432.597 4.660 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCOC2(CCCCCC2)C1 1359220276 UAEHFNCTSCOMIQ-UHFFFAOYSA-N 428.552 4.892 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCO[C@@H](C)C1 1359279194 WYQANQMZRUKYPO-FHWLQOOXSA-N 444.645 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(F)cc2C(F)(F)F)C1 1359311891 KNNZVRVPSRHNSI-RHSMWYFYSA-N 426.458 4.779 30 10 IJEE C=CCOc1ccc(OC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 1435306594 IOCDHJBMOUEFME-LTGZKZEYSA-N 430.489 4.570 30 10 IJEE C#CC[C@]1(C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)CCCN1C(=O)OC(C)(C)C 1438341114 BSXKIJZAIZRHPY-RRPNLBNLSA-N 436.596 4.865 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccccc1 1439951790 QXJKCQGYOSIBMI-SSEXGKCCSA-N 436.455 4.686 30 10 IJEE CN(C)CCOc1ccccc1CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1442374682 FMVJGHMVXBTSBD-UHFFFAOYSA-N 449.938 4.874 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CCCN1C(=O)OC(C)(C)C 1459715452 VMVWCAPHBUOJGB-DEOSSOPVSA-N 438.528 4.898 30 10 IJEE N#Cc1c(NC(=O)CCN2CCC(Cc3cc(F)cc(F)c3)CC2)sc2c1CCC2 1460100881 FGBOHTBFXNAPAG-UHFFFAOYSA-N 429.536 4.670 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1)c1ccc(Cl)cc1 1460787012 HMNCIZKQARMTCW-AOHZBQACSA-N 438.955 4.529 30 10 IJEE C=CCc1cc(CNc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc(OC)c1O 1461744122 HOFVZXNSJKHSJH-UHFFFAOYSA-N 444.597 4.695 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3cccc(Cl)c3F)CCCC2)c(Cl)c1 1463516823 FXGGWABAYRPCIF-UHFFFAOYSA-N 427.328 4.794 30 10 IJEE C=CCNc1ncc(C(=O)N=c2sccn2Cc2ccc(Cl)cc2Cl)s1 1464825944 BHFADNZPZWFQSW-UHFFFAOYSA-N 425.366 4.700 30 10 IJEE C#C[C@H](NC(=O)Nc1ccnn1Cc1ccc(Cl)s1)c1ccc(Br)cc1 1467407155 HQECLMXMQQWJRA-HNNXBMFYSA-N 449.761 4.905 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)c1ccc(Br)cc1 1468451120 OKXFGMHZCIZZAZ-CQSZACIVSA-N 437.215 4.933 30 10 IJEE CC(C)(C)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(Cl)cc1 1468961702 AHVXEXQXXUOUMA-NZSAHSFTSA-N 448.995 4.876 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](C)Oc1ccccc1Br)c1ccc(Cl)cc1F 1469198717 BZOWFPWAQFIIDG-SJKOYZFVSA-N 439.712 4.683 30 10 IJEE C#Cc1ccc(NC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)cc1 1477192594 VCIZBRWIBFFWQF-FQRUVTKNSA-N 428.532 4.875 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@](C)(c1ccc(Br)cc1)C(C)C 1477915796 NSZDMNRWKGRDLP-JOCHJYFZSA-N 429.358 4.832 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1csc(C)n1 1507985667 AGXIEXLKIFPLCI-UHFFFAOYSA-N 438.384 4.794 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(SC)CC2)C1 1508118012 TXUHFLGSPJKGDO-HNNXBMFYSA-N 439.412 4.929 30 10 IJEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H](c1cccnc1)C(C)C 1509019857 CBEAXRYQRFXXGR-BJKOFHAPSA-N 444.583 4.686 30 10 IJEE CC(F)(F)CCNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F 1523879034 DJRGDOZUNJHHTE-UHFFFAOYSA-N 432.727 4.652 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1525766999 GOXDITPCPHZFMF-FCHUYYIVSA-N 425.573 4.916 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1527941348 KUROEKVSHTYALQ-QFIPXVFZSA-N 438.952 4.650 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2CCc3cc(Br)ccc32)CCCN1C(=O)OC(C)(C)C 1536683356 FWMGJPHDHQBJEY-GCJKJVERSA-N 449.389 4.898 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2cc(Br)ccc2Cl)c(OC)c1 1537885705 HLHOCWWGYDVJJE-UHFFFAOYSA-N 425.706 4.962 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCc1nccs1 1539622942 IYNYKGZQMCQDTA-OXQOHEQNSA-N 444.004 4.715 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCc1c[nH]c2c(CC)cccc12 1539674122 KLWZNYBSIVZKDG-UHFFFAOYSA-N 428.584 4.953 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539731059 XCNIVZJGKYDWBC-AABGKKOBSA-N 449.640 4.514 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1539731124 YMOBXBFAWOHAMV-NTKDMRAZSA-N 446.567 4.545 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCc2cc(Cl)ccc2C1 1539752627 ULAXLEDKHAIUDC-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1539779566 BJNLLAIPGQJWRS-KBPBESRZSA-N 437.769 4.703 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1539830273 ROIGHGXFOIXZHA-WMZOPIPTSA-N 441.542 4.722 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C 1539908782 AEEDWXDOMOLBBV-CQSZACIVSA-N 436.387 4.521 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1539939959 MMZAAZSNHDCRAX-PMACEKPBSA-N 437.613 4.797 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1539946560 CAPHNTJZCPEKRP-NHCUHLMSSA-N 439.604 4.646 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H]1CC 1540029142 NCQUCMASXMUGCY-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 1540503298 CWNNLLMVCNRNLG-UGKGYDQZSA-N 431.001 4.694 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2cccnc2Oc2cccc(F)c2)C1 1540882232 DUOGBPVEVPWPQG-NRFANRHFSA-N 437.519 4.558 30 10 IJEE CC(C)N(C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1541600090 GULYESHBMGXJMV-GOSISDBHSA-N 428.650 4.744 30 10 IJEE Cc1csc([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)n1 1542847518 IAXXIRGUGWYMNB-UZLBHIALSA-N 436.585 4.596 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)n1nnc(-c2ccccc2)n1 1543196747 DLXUZPUCLDUKEY-INIZCTEOSA-N 426.505 4.563 30 10 IJEE CC[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)N1CCc2ccccc2C1 1543678239 FIMCLZZYHGVSAF-AREMUKBSSA-N 439.559 4.704 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1545472868 IEDQQFOMRNNRCY-CJAUYULYSA-N 446.555 4.815 30 10 IJEE CN(C)c1ccc(/C=N\N=C2/S/C(=C\c3cccs3)C(=O)N2Cc2ccco2)cc1 1554646556 SOEZIFSBXLTCGY-IZXFVBNXSA-N 436.562 4.914 30 10 IJEE C=CC[C@H](Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1)C(=O)OC 1559334136 VPNAJLIVOJESQV-SFHVURJKSA-N 429.929 4.710 30 10 IJEE COC(=O)[C@](C)(CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 1562432794 FTVUBSLVFWZLSG-RUZDIDTESA-N 447.466 4.742 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@]2(C)Cc2ccccc2F)cc(OC)c1OC 1563814754 KXZFHWSYBMADOM-RUZDIDTESA-N 426.532 4.878 30 10 IJEE C#C[C@H](NC(=O)NCCc1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 1564289417 HQCLOEDXADZPIT-HNNXBMFYSA-N 448.773 4.928 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 1564553892 HQCQPDXEXNEMGG-AHWVRZQESA-N 437.559 4.639 30 10 IJEE C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 1564916015 IBQGOLPPHAEXBN-LLVKDONJSA-N 439.375 4.775 30 10 IJEE C#C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 1564996903 BITFCOSGYNQSKO-FQEVSTJZSA-N 437.893 4.807 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(-c2n[nH]c(CC)n2)cc1 1570214604 QLJMSWQZOWSLDO-UHFFFAOYSA-N 427.302 4.614 30 10 IJEE C=C[C@@H](C)ONC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1583408038 IQWGBBIZSSPBBO-MRXNPFEDSA-N 430.570 4.638 30 10 IJEE C=C(Br)CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1583913635 BCBIXPUFEKBCNH-VQTJNVASSA-N 433.777 4.580 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1584398575 QIAYNEYNYIRHEL-SIKLNZKXSA-N 447.604 4.793 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cc(Cl)c(OC)c(OC)c2)s1 1586691083 FMXNKOJAGLXINZ-UHFFFAOYSA-N 447.409 4.826 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[C@H](OCC)C1CCCC1 1587658015 ZPZXFOLWIGJNCM-CYFREDJKSA-N 433.600 4.794 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1587711857 IHWGZOSVVHEBCF-SFHVURJKSA-N 440.588 4.647 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](OCCC)CC1 1587777792 REPAANWXVSATRJ-QFIPXVFZSA-N 433.600 4.939 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(C)CCCS1 1588265449 ASSKMIGUBGHENC-FDDCHVKYSA-N 428.602 4.562 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@H](C)N1CCCCC1 1588550087 HURVQLFIEMZION-NRFANRHFSA-N 439.623 4.910 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(CCC(F)(F)F)CC1CC1 1589053323 NGYQFUVRDCYGNA-UHFFFAOYSA-N 447.530 4.962 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1589515236 MIXKDNGKKQXVRV-IPJJNNNSSA-N 442.579 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccccc1F 1589560347 ZEUKIUQSXSJUNJ-WXVUKLJWSA-N 435.547 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCC(C)(C)C1 1589570107 TVTRPEOPOCEZEU-AVRDEDQJSA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1593703040 BIAMXAPPAOVLBU-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC(F)(F)F 1593763322 GUYZCABBODKKBI-UHFFFAOYSA-N 440.510 4.746 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(OCC(C)C)c2)CC1 1594115478 SBUBEMRUXMIUCW-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1594461289 PGHPJSRTCFNUNV-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1CCOc1cccc(C(F)(F)F)n1)C1CC1 1595044339 UCRSHBLKLOFLFL-UHFFFAOYSA-N 443.473 4.901 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@](C)(O)c1ccccc1 1595234322 OVCWPCVCVRTKLE-XLGIIRLISA-N 438.616 4.673 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCSC1 1595275571 GXHHYGUCKFIPGE-QGZVFWFLSA-N 432.659 4.667 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1595350616 KCXYNVYYHAOMHK-FGZHOGPDSA-N 436.556 4.943 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCCC2)C1 1606718723 GKOSSEUUKQJEKS-GMAHTHKFSA-N 434.632 4.811 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N[C@H]3CCN(c4ccc(Cl)cc4F)C3)c2c1 1612709113 HOHCRHWJVKSKMI-HNNXBMFYSA-N 426.879 4.607 30 10 IJEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)S/C(=N/N=C/c2cccs2)N1Cc1ccco1 1615301515 BONCIBYGNYEWES-FCKSWFEOSA-N 438.490 4.756 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)c(Cl)c1 1616350600 ZHNXCDQMIIHCEG-FQEVSTJZSA-N 426.969 4.773 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2cc(OC(F)(F)F)ccc2Br)c1 1618148146 HSJVTZBOLMPVJV-UHFFFAOYSA-N 428.208 4.538 30 10 IJEE C=CCOc1ccc(CNCCOc2ccc(I)cc2)cc1Cl 1620912358 PZCTYVHRPPVYMO-UHFFFAOYSA-N 443.712 4.678 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC 1624702077 JOYZGWOQDONYMY-INIZCTEOSA-N 447.967 4.503 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC#CC 1625335235 AGHMNOBJCJMHCS-QHCPKHFHSA-N 436.939 4.518 30 10 IJEE CCCS(=O)(=O)Nc1cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c(F)cc1F 1626365119 GRNFCOWYAJAJMG-UHFFFAOYSA-N 448.278 4.547 30 10 IJEE C#CCOc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2O)cc1 1629022214 AXBUZDPLJJDZST-UHFFFAOYSA-N 435.789 4.514 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nnn(Cc2ccc(F)cc2)c1CC 1629226037 HUIRMRQCJISXFK-UHFFFAOYSA-N 448.420 4.864 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 1629831582 CJJBJQMGRQZWTN-UNMCSNQZSA-N 435.653 4.739 30 10 IJEE C=CC[C@@H](NC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)c1ccncc1 1631878493 QNLXHJVNXWUNPR-OAQYLSRUSA-N 430.593 4.958 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(Br)nc(Br)c1 1633043817 QJKNHRLYKJRIQW-UHFFFAOYSA-N 440.135 4.757 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1OC)C[C@@H]1CCCO1)c1ccc(Cl)cc1F 1636566815 HKYUNEMLOQSCIH-RXVVDRJESA-N 430.907 4.553 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C1CC1 1637908934 KUQUKXCULWXQBB-QMHKHESXSA-N 438.955 4.951 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(C(=O)OC)o2)nnc1-c1ccc(C(C)(C)C)cc1 1640641164 CHTFUQNPAXIHHE-UHFFFAOYSA-N 439.537 4.783 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCn2cncc2-c2ccccc2)s1 1642720246 AFWXDJCRWKWPBM-UHFFFAOYSA-N 433.002 4.519 30 10 IJEE CCOC(=O)c1c(NC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)sc2c1CC[C@@H](C)C2 1643522852 GJATYBBAYOZRCY-HZPDHXFCSA-N 439.581 4.553 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)cc1F 1648417391 JTEGXNPTEUPLBJ-OAHLLOKOSA-N 449.748 4.583 30 10 IJEE C#CCOc1ccc(F)cc1NCc1cc(Br)cc(Br)c1N 1650633199 UWNKGZDLXJNHFA-UHFFFAOYSA-N 428.099 4.557 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)nc2sc3c(c2c1=O)CCC3 1652447641 PYPMZJFVPARIHN-BEFAXECRSA-N 445.654 4.508 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2CCC[C@H](C)C2)C(C)C)nc2sc3c(c2c1=O)CCC3 1652447644 PYPMZJFVPARIHN-KXBFYZLASA-N 445.654 4.508 30 10 IJEE N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc3cc(Br)ccc3c2)cc1 1654735480 BIBALUIOGUPANJ-UHFFFAOYSA-N 441.350 4.827 30 10 IJEE CC(=O)N(c1nc(Cn2nnc(-c3ccccc3)c2C#N)cs1)c1cccc(C)c1C 1656923175 GZDUITFZYLITCI-UHFFFAOYSA-N 428.521 4.623 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)c(F)c1 1661173463 FKZVQUZDRHWBIG-JOCHJYFZSA-N 426.538 4.706 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(Cl)c1OC 1662577642 WDDUFKIBHMQVKR-UHFFFAOYSA-N 425.710 4.998 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)cc1 1666995957 JCGRIWBOKMUTOQ-UHFFFAOYSA-N 442.581 4.751 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 1667057222 AIDDPXRUHXYDQN-KRWDZBQOSA-N 436.508 4.725 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CCN(c2ccccc2F)CC1 1670413584 DMBNQYIKBJINIT-KRWDZBQOSA-N 449.370 4.980 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1670779284 ADZBBVPYBQRTDP-OALUTQOASA-N 431.458 4.513 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2n1 1673220918 SRUQLFQFAKPDKA-LJQANCHMSA-N 427.549 4.524 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1 1673819931 QDYBGDVNRQUMTI-WOJBJXKFSA-N 425.554 4.604 30 10 IJEE Cc1cccc(-c2ccc(CNC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)c1 1678012476 FHHMIALAFYUORS-UHFFFAOYSA-N 438.575 4.951 30 10 IJEE C=CCCCCCCNC(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1680986814 YVVKLPVLQIQYDR-OAQYLSRUSA-N 437.625 4.571 30 10 IJEE C#C[C@H](NC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 1683676348 LYUOSZGMUQWENE-VWLOTQADSA-N 448.950 4.797 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CCCC1(C)C 1683800636 VSDKVIGDFISPLU-KNQAVFIVSA-N 426.605 4.780 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Cc2nc(CC)cs2)CC1)c1ccc(Br)cc1 1686921088 BBAYIXUHCFCLRQ-IBGZPJMESA-N 446.414 4.807 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C1CCN(CCC)CC1 1689887295 WDAAODGSUUNGKN-UHFFFAOYSA-N 446.599 4.714 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1689900889 ULLNMMPZHVBUDK-UHFFFAOYSA-N 433.383 4.775 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690062609 WGLZTDIYGLADJH-REWPJTCUSA-N 446.599 4.636 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1690274790 DJPZWUOKJQNIRY-DZFGPLHGSA-N 428.552 4.917 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nc(C)c(C)s2)CC1 1690365764 FUOLPWGYJLSGQE-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCc2cccc(Br)c2C1 1690432954 PKAYPMXYBJMYRN-KRWDZBQOSA-N 445.405 4.710 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1690444692 KXEVXAXKWXYXHG-HSZRJFAPSA-N 437.632 4.531 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1690462819 POBZZUYNJYJJLG-GOTSBHOMSA-N 442.579 4.965 30 10 IJEE C=CCCOCCn1c(N2CCSC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1690512112 MUAOLDVHPJFUNQ-UHFFFAOYSA-N 426.630 4.673 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1ncc(C)s1)C1CC1 1690539191 XWNPIAKPJKERKH-LBPRGKRZSA-N 447.406 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1Cc1sc(C)nc1C 1690601192 SSNPTBNLUBCORQ-UHFFFAOYSA-N 429.977 4.811 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC1(CC)CCOCC1 1690603875 KBQVBIPJQYYUIS-HSZRJFAPSA-N 438.616 4.962 30 10 IJEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCC(C)C)CC1 1693532339 GMRARYFURLOJHS-UHFFFAOYSA-N 448.571 4.501 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1705543124 WMZUQQZJJDBSOP-DHIUTWEWSA-N 433.644 4.576 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC(C)(C)C)nc1 1705545272 VAVWEBPHIXRKNT-KRWDZBQOSA-N 449.624 4.821 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC2CCCC2)CC1 1705636843 ZSXPCMUTXLJGIM-UHFFFAOYSA-N 446.426 4.978 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccccc1 1705721598 LQHKBTMEPXPCFL-SFHVURJKSA-N 426.362 4.964 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)c2cccs2)CC1 1705731836 FOFVMJOTOKTBJC-UHFFFAOYSA-N 440.569 4.600 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1705769796 FDIBEIQPEYPCDL-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H](C)c2nccs2)CC1 1705772715 YQSTWFUPBJVPAC-GOSISDBHSA-N 439.585 4.672 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705826099 NFWLRAHVKUUBHG-SIKLNZKXSA-N 426.605 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCO[C@H]1C1CC1 1705836629 ZSNIRUPRXWTLIA-GHTZIAJQSA-N 449.368 4.674 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1705845257 MCXCMLJHDQFYFR-RBBKRZOGSA-N 435.641 4.853 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCS1 1705860518 SAPSNYQJHRAWMF-QFIPXVFZSA-N 430.581 4.690 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C/C=C\c1ccccc1 1705878030 RZUVHAJIRCCWDG-LCAVHTSUSA-N 449.599 4.941 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)CCOC(C)(C)C 1705944635 NGZPPRMFGXHXHE-UHFFFAOYSA-N 425.602 4.664 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nccs1 1706068334 IFSYUFMPUBHSKN-LBPRGKRZSA-N 428.974 4.914 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1722313661 CLEJWVBMDZHXPR-VQTJNVASSA-N 446.599 4.664 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCCCCC1 1722343397 BSPJASOXTDPXCE-LJQANCHMSA-N 445.007 4.843 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC1CCCCC1 1722347065 UZQVLFZOMYXESS-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cscc1C(F)(F)F 1722414345 TUQCLZBBBCJJAK-UHFFFAOYSA-N 440.441 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(OC)CCCC1 1722466783 FLBZUXZFYBTUNZ-FDDCHVKYSA-N 426.536 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1CC 1722512847 NAJODLFPFMQALP-UXHICEINSA-N 448.615 4.904 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2([S@](C)=O)CCC2)CC1 1722575051 WLKREROCRHKIJK-JRPXNJEYSA-N 426.630 4.524 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCSCCCO)CC1 1722575334 FZTBHHDJNVRSCD-UHFFFAOYSA-N 441.428 4.770 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1722599011 AKLSDKJLHXIRDE-HXUWFJFHSA-N 434.563 4.859 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722610256 NTHBKTMIMKGFSU-KXBFYZLASA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncnn1C(C)(C)C)C1CC1 1722646769 WHGXXUIVRODSHQ-UHFFFAOYSA-N 433.604 4.792 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(O)cc1 1722678823 FAZIUAVKJKVTIU-UHFFFAOYSA-N 438.597 4.668 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722691535 ZWABALVEJBDCGS-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCCC[C@H](SCC)C2)cc1 1722706170 POVYTEGGVSHYNN-NRFANRHFSA-N 437.613 4.998 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1722742370 RVOYUKCDNXJIDL-HNNXBMFYSA-N 443.617 4.816 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@@H](C)C1 1740664361 NKRZPIMJSRUFCP-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 1740748066 FYFUUAUJBPCCNU-GOSISDBHSA-N 433.394 4.947 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CCC1 1740752974 DLOCFIMMMGCITF-FXAWDEMLSA-N 445.405 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C)s1 1740756347 PBPZQEVNEXHJCP-XLIONFOSSA-N 444.004 4.981 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@@H]1CC 1740791215 XZCGPFIUEUZSRV-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=C(Cn1c(N(CC(C)C)C(C)C)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1740799935 ARMNSYFAOBVBET-RUZDIDTESA-N 426.605 4.903 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2Cc2nccs2)CC1 1740828523 NQPNLJFZVMYSSF-UHFFFAOYSA-N 444.004 4.913 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740846676 HKJBWIJYUGCCRC-UHFFFAOYSA-N 443.555 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1740851558 ZDLPXLKRTILOCB-UHFFFAOYSA-N 444.693 4.810 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740869077 ADVQFTVAIYJGCV-FUHWJXTLSA-N 433.394 4.986 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)(C)C)CC1 1740883524 XCJLIJFNEANJAX-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740925907 SEVGCGPPPLIZRF-ACDBMABISA-N 432.572 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(O)cc1 1740936513 XLNCWGBBYXLNBD-UHFFFAOYSA-N 435.915 4.576 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(CC)s2)C1 1740983771 PJCLIJJBMJAZPN-HXUWFJFHSA-N 438.597 4.619 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C(C)C)CC1 1748759264 DJGMTOQGKUHZPX-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(C)(C)SC 1748901453 YDKHAGFGTYNABQ-UHFFFAOYSA-N 438.641 4.893 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C)[C@H]1CC 1749048143 JRJBIKOKNBTCSY-ZWKOTPCHSA-N 430.643 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CN(C)CCCC)CC1 1749131730 VBVLZHBZIONOQA-LADGPHEKSA-N 445.696 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1749146870 QDEHLHJDZJZAML-SFHVURJKSA-N 431.581 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1Cc1ccncc1Cl 1749171494 WMZLQFHRWKGFQK-UHFFFAOYSA-N 425.964 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1749369216 YVMMLHKOVOXZNB-VQTJNVASSA-N 431.669 4.990 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749391092 QNUAHZJJABRIAR-FNZWTVRRSA-N 438.616 4.983 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1749422000 VIRANTYWXMOAEA-KDOFPFPSSA-N 426.779 4.980 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](COC)C1 1749439496 AMOSQOPELUKSGB-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1749458353 ZZJLBOLMQORTGO-HXUWFJFHSA-N 432.996 4.691 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC1(O)CCCCCC1 1749537465 HITCOYFTNBEZMT-UHFFFAOYSA-N 431.584 4.542 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749552858 BZVCLGZUTYGGDH-REHUZNOOSA-N 443.661 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(O)c1ccccc1 1749554477 TVAQDCPFCFQDFE-ZJSXRUAMSA-N 438.597 4.682 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC(F)(F)F)CC1 1749608363 YUFQTLSLVDZPAL-UHFFFAOYSA-N 441.910 4.684 30 10 IJEE CC(C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750795638 RLYKXPXTWMGCHN-UHFFFAOYSA-N 444.583 4.824 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1760097603 HRCHJRCFYYQWDN-LXGFNABISA-N 430.980 4.591 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1760132513 JUSUXIMSFMOVCS-UHFFFAOYSA-N 433.512 4.839 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cn2ccc(C)cc2n1 1760229223 JEWMNDLIKCIJSG-UHFFFAOYSA-N 439.350 4.716 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccccc1F 1760238875 NJMDVJOAHYBSGE-TZIWHRDSSA-N 444.620 4.729 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1760300125 AENROTMBEAPALV-ZOBUZTSGSA-N 449.393 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1760332085 STUAAFUHXYNFPA-LJQANCHMSA-N 427.593 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1760339331 DWQVAXRUUYKVJT-FQEVSTJZSA-N 430.543 4.910 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1760370327 OPTBORGSXIUOTB-UHFFFAOYSA-N 445.995 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC[C@H]1C 1760409052 YANVRKKEDRMLMF-LJQANCHMSA-N 436.556 4.945 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760424931 ZYDZTAISUMIRJG-LJQANCHMSA-N 442.007 4.697 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@@H](C)C1 1760441160 ZIDKXEUBSZCAMS-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(OC(C)C)nc1 1760454444 JVELQTXCOSOONU-UHFFFAOYSA-N 442.361 4.560 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CCC1CCN(CC(F)(F)F)CC1 1760458996 BLNWGCCSBJFSNV-UHFFFAOYSA-N 441.929 4.885 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760480603 ZKKRQVVFZILENZ-JCYRPKCISA-N 449.599 4.932 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)COC 1760483253 KQZQCPDZARQZPT-MRXNPFEDSA-N 429.927 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@@H](C)C1 1760486091 CISUEKTUSKAMFU-OALUTQOASA-N 425.602 4.743 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1Cc1snnc1C 1760498037 CCIZNBFCAFIPJE-UHFFFAOYSA-N 434.569 4.544 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCC[C@H](O)C1 1760498149 GUKVPFGSMKDTNC-GMAHTHKFSA-N 434.584 4.887 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CC(C)(C)N1CCCCC1 1760498655 ZYAPTYBSZLPXIW-UHFFFAOYSA-N 437.588 4.939 30 10 IJEE COc1ccc(C(C)(C)Cn2c(CC(C)C)nnc2N2CCC[C@](C)(C#N)C2)cc1OC 1768422097 FECIBUPFFCJYQZ-RUZDIDTESA-N 439.604 4.602 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862408062 CWCNLCWLZLWISF-OSPHWJPCSA-N 448.563 4.763 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)c1 1862418785 MPPVTALNDVGQNC-OAQYLSRUSA-N 429.463 4.988 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1862451476 GWWOWWLZBAOWGC-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C)cc2)cc1 1862515577 SZTOSJPVXXHTDQ-JTHBVZDNSA-N 435.520 4.541 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862568865 ZZQYUHGKFWRMFV-XMMPIXPASA-N 440.499 4.612 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 1862580905 UYUKLSCVSWFUOL-LJQANCHMSA-N 434.319 4.998 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862625854 ORMHHOOYKSRGGT-XKDCRVNJSA-N 433.504 4.881 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 1862625979 RGZPWILRIJMMHV-QHCPKHFHSA-N 447.487 4.590 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862663878 COBZWUHJAQTXAA-UPVQGACJSA-N 448.563 4.633 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 1862674635 ZTYMLZREAHKBOR-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1C 1862721638 HJUPQLMFXQGZAR-DEOSSOPVSA-N 427.500 4.887 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 1862736300 XJTXLABJIRMCHA-JOCHJYFZSA-N 448.475 4.769 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1862871815 HFUSIDXHUJFDQF-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CC(C)Oc1ccccc1NC1=C(c2cccs2)C(=O)N(c2ccccc2C#N)C1=O 1863119874 KOKVISXAVNVADQ-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE CCOc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3[C@H](C)COC[C@H]3C)n2)cc1 1868518449 RWABHRDNOWNWQE-QZTJIDSGSA-N 429.524 4.771 30 10 IJEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1870153790 FEROCQNUNOFTTR-UHFFFAOYSA-N 436.686 4.750 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870300665 PNSPGSXREJRCHL-UHFFFAOYSA-N 429.545 4.527 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(=O)OC(C)C)cc2)cn1CCC 1870325808 PMFXTWIDXKGQLE-UHFFFAOYSA-N 438.568 4.577 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1cccc(C)c1C 1870884776 PYKLQHMAZASLSG-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1871137812 QUNGIECYRUXTCS-UHFFFAOYSA-N 431.536 4.616 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 1871346444 GHYJRFSCRHJSKL-XYGWBWBKSA-N 443.499 4.932 30 10 IJEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccs1)C3=O 1871349562 WTKDSMYVJZHTIQ-STZFKDTASA-N 426.582 4.947 30 10 IJEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C[C@H]3COc5ccccc5O3)C4)C2=O)o1 1871359394 NMSMHNKIQSMTCA-FGKSSUIQSA-N 445.471 4.505 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871758935 JGBXRLNQPSTTCY-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872028494 NWXFPVLZSUWZQN-JOCHJYFZSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872229887 JJMUJTNJLYZVSW-QGZVFWFLSA-N 426.991 4.776 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872499350 MHKZOLVSWZTZQI-IBGZPJMESA-N 441.380 4.896 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872512805 AXEKNLZAYUXNRP-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE CCOC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872774987 IBIPBUZDXXTVPY-INIZCTEOSA-N 440.452 4.983 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3)n2)c(OC)c1OC 1872788731 PCTAZFCXQSQIMY-OAHLLOKOSA-N 428.897 4.979 30 10 IJEE C=CCNC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 1873443066 YJABOBPAAMQVGK-UHFFFAOYSA-N 432.973 4.830 30 10 IJEE N#Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccco3)C23CCCC3)cc1 1873867410 PEBPUYDSSSLZCY-HSZRJFAPSA-N 425.488 4.842 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(O)c(O)c2)CC1 1874286463 IFEHYCFKWJHJOO-HZHRSRAPSA-N 432.590 4.510 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874321270 JHLREVZKLOUILL-LPYMAVHISA-N 425.514 4.766 30 10 IJEE COCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874501475 JRPSJSZISCQYIX-AUEPDCJTSA-N 446.960 4.583 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2OC)cc(OC)c1OCC(=O)N(CC)CC 1874611526 MZUJQIPWUPORGG-CCEZHUSRSA-N 437.536 4.576 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c([N+](=O)[O-])c2)c1 1875172132 GHTADKJHTYEOPW-BJMVGYQFSA-N 425.437 4.604 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 1890563792 WLBCSDGLQKAXRV-UHFFFAOYSA-N 440.956 4.503 30 10 IJEE COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)cc2)cc1 1891478421 PRUMYGFEVZYEMJ-HXUWFJFHSA-N 427.504 4.560 30 10 IJEE CCCN[C@@H](C#Cc1nc(C)cs1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 1900804615 QHMPKFIJIRPXIG-NRFANRHFSA-N 427.614 4.999 30 10 IJEE CO[C@@H](C#N)Cc1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1951529407 TZGNCMFBABNCGH-LLVKDONJSA-N 434.128 4.640 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNc1cc(Br)c(C#N)cc1F 1962831963 AEAGHUJSJSTSGX-AWEZNQCLSA-N 438.341 4.909 30 10 IJEE CCC[C@]1(C)CSC(=Nc2ccc(I)c(Br)c2)N1 2029946396 UYUMGHQYTRSSJY-CYBMUJFWSA-N 439.160 4.936 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NC 2047975621 FVCFSAQPCKNBOM-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)cc1 2057571216 CQRIFOYPGVATFY-IECBHUPTSA-N 443.544 4.728 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1 2079040238 KLKCIWIOGLLFNT-BTZNOAQDSA-N 437.325 4.901 30 10 IJEE N#Cc1cnc2c(-c3cccc(I)c3)c(C3CCCCC3)nn2c1N 2081493799 GAKDMBQCTBINDP-UHFFFAOYSA-N 443.292 4.502 30 10 IJEE Cc1cc(C#N)c(Nc2cc(Br)ccc2I)nc1C 2099241908 FFJLFRRFGNWHQJ-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2118192711 RTJQBLAHNSTSCV-UONOGXRCSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)c(Br)c2F)CC1(C)C 2118198968 MRGSYINFERIQFH-AWEZNQCLSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cc(Br)ccc2C#N)cc1 2181141982 RHJRRRMLIAXKNN-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)C1(C)C 2186208411 AXGVRYHWNDRQDI-XJKSGUPXSA-N 436.350 4.589 30 10 IJEE N#Cc1c(F)cc(Br)cc1N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2193227658 AAWAIYSILHZNSY-YJBOKZPZSA-N 442.254 4.935 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCC2)N(c2cc(Br)c(C#N)cc2F)C1 2193439281 MQEFQAQSGJHPOO-CQSZACIVSA-N 438.341 4.876 30 10 IJEE Cc1cnc(Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2232281584 MIXQSOXQFMIFLR-UHFFFAOYSA-N 439.365 4.804 30 10 IJEE CCCC1(C(=O)Nc2cc(Br)ccc2C#N)CC(NC(=O)OC(C)(C)C)C1 2233460415 JPCUMJNAKYDCOG-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CC1(C)CN(C(=O)OC(C)(C)C)C1 2235724151 FZFBRDDOJUBOJD-SFHVURJKSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@@H](O)C#Cc2ccccc2Br)CC1 2235739957 LHZYKSKYMSTJJW-LNLFQRSKSA-N 436.390 4.883 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)CC2CC2)c(C)c1B1OC(C)(C)C(C)(C)O1 2247931597 MOGADOSSCQZDKF-UHFFFAOYSA-N 425.403 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2248879555 NKEJKCKJJKBVBB-LDNFRZNASA-N 447.498 4.761 30 10 IJEE C=CCCC1(C(=O)Cc2cccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266275415 AMQDDZRKRVPWSK-UHFFFAOYSA-N 426.326 4.903 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)C#Cc3cccc(Br)c3)CCC[C@@H]12 2296225347 UIJKSVFFFQWOME-XMSQKQJNSA-N 432.358 4.940 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2296268385 DCACBRANXDOLKY-MISYRCLQSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC=CCC1 2296305244 QWZXIJIKQBPDBN-MISYRCLQSA-N 433.390 4.638 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1C 2296308601 KJWMMMDSUYUKKL-NBCNXNJRSA-N 435.406 4.862 30 10 IJEE COc1ccc2ccc(OC)c(C=C3SC(=Nc4cccc(C(=O)O)c4)N(C)C3=O)c2c1 2296373929 DIVNGQWQAKVBII-UHFFFAOYSA-N 448.500 4.789 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2305321326 BSBJMZWIEDYPRQ-VWLOTQADSA-N 428.573 4.842 30 10 IJEE COc1ccc(-c2csc(NN=Cc3ccc(OC)c(O)c3Br)n2)cc1 2323858593 PPVMVJGMHWJQHN-UHFFFAOYSA-N 434.315 4.741 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(Br)c1OCCO 2324306682 JKECSQSPWFHNLP-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O 2325075849 CJEYJNMUDCHVIG-AWEZNQCLSA-N 448.874 4.751 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)cc1OC 2325703103 VCNPLOCAPFYQSM-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1cccc([N+](=O)[O-])c1 2325882538 BMQSBKSIXVDXAC-UHFFFAOYSA-N 447.520 4.955 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2N=Cc2ccc(CC)cc2)cc1 2327424218 VMWHFXMHIVXCFD-UHFFFAOYSA-N 438.597 4.729 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1O 2328056357 FEYRAZCJCGTPNM-UHFFFAOYSA-N 428.945 4.678 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1Cl 2328486021 ODBDKJOLFPVKEI-UHFFFAOYSA-N 427.917 4.981 30 10 IJEE CN(CC1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1)C(=O)OC(C)(C)C 2339583628 XVHFJGDNVHDESU-SDNWHVSQSA-N 444.381 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@H]2Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339590247 KKXXXZPMDHVUQE-GOSISDBHSA-N 442.365 4.505 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C 2360197718 SPXVMEMLINAUHB-VDGAXYAQSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@H](C#N)c1cnn(CC(F)F)c1 2369058976 SYURUVTUDFGKGS-HNNXBMFYSA-N 441.276 4.917 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 9347636 GDZXQGVAGWYUQH-UHFFFAOYSA-N 445.544 4.905 30 10 IJEE O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/Nc1nc2ccccc2[nH]1 15980952 DLCXGFQGDONTKW-JFLMPSFJSA-N 446.470 4.968 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccc(F)cc2)c1C 32973423 BLZAOZPOIUFEGS-UHFFFAOYSA-N 439.510 4.547 30 10 IJEE C=CCN1C(=N)S/C(=C/c2cc(OCC)c(OC(C)C)cc2Br)C1=O 33458336 TYRIRSHBHUSNMZ-OJRJXSEPSA-N 425.348 4.672 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 41655513 QVXSGHARTMVQOS-FMCGGJTJSA-N 445.446 4.581 30 10 IJEE O=C1/C(=N/N=C(\O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1 59147486 RETHYAWQNGJACW-MZJWZYIUSA-N 447.310 4.727 30 10 IJEE CC1(C)Cc2cccc(OCC#CCNC(=O)NC(c3ccccc3)c3ccccc3)c2O1 90733677 ABNOKZGOMRRQPV-UHFFFAOYSA-N 440.543 4.871 30 10 IJEE COCCc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96528115 KZCSXKLKTFLQKZ-UHFFFAOYSA-N 433.508 4.681 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 169953772 YCWIXIXJSQCDGH-XMMPIXPASA-N 442.515 4.853 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1cccc(C)c1 169971105 QRBLFKAVLHUJQZ-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1)c1ccc(Cl)cc1 170050062 UETVYFZYUBNITH-NRFANRHFSA-N 433.847 4.852 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)ccc1F 170068528 WKTFPQXZLORNAK-QHCPKHFHSA-N 438.543 4.788 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(O)c2)c1 170078954 HGMJFBJKTWMQIE-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccn1 170175585 OTWYUBATKFQTQE-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170193272 DZCWGRLFRAUEFU-LJQANCHMSA-N 440.286 4.562 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccncc2)cc1C 170202033 XLAVBPSNEIEIGO-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccc(OCC)c1 170217877 GBHQVSRLXVXYOY-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccccc1 170227959 VOVPHFBQSLGUBQ-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1C(C)C 170229970 JOKCIKANFFDINX-WMZHIEFXSA-N 435.520 4.576 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1)c1ccc(Br)cc1 170231003 BGVSFYDCDWUOHY-FQEVSTJZSA-N 449.304 4.623 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(C(C)C)cc1 170244495 ATUQGAZWDUIUAK-OAQYLSRUSA-N 443.927 4.697 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1c[nH]c2ccccc12 170255246 OYKQWVJYGIFJKB-QFIPXVFZSA-N 434.492 4.564 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170261617 KYZGWBXLYCOGNR-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccccc1C 170275654 NVUDDKXUMFHXAP-HSZRJFAPSA-N 437.536 4.645 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccco2)c1 170279227 QGLQXROZCXYSOD-NRFANRHFSA-N 437.423 4.609 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2sccc2C)cc1C 170316060 CUXGXHCLHZSMGT-XLIONFOSSA-N 441.549 4.521 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(OCc2ccccc2)cc1 170438217 CEJBXSOPRLVRMX-JOCHJYFZSA-N 437.536 4.613 30 10 IJEE Cc1cc(/C=N\[C@H](CO)[C@@H](O)c2cccc(O)c2)c(C)n1-c1cc(Cl)ccc1Cl 229551664 FKNSKBGQKBTFRA-NYQDDRTFSA-N 433.335 4.620 30 10 IJEE COc1ccc(O)c(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 254573209 PSWXKDSWSQLGGJ-UHFFFAOYSA-N 427.468 4.519 30 10 IJEE Cc1c(Br)cccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446156500 AWDGPMFGDMCHIZ-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(N(C)C)cc2)cc1 526605612 YCTHRVFWJKISDZ-DEOSSOPVSA-N 425.488 4.690 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(C(C)(C)C)cc2)o1 526830023 LYZLBXXVTJXNHZ-QRVIBDJDSA-N 426.542 4.828 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 531869794 NRUNMDOXTHKELS-IBGZPJMESA-N 434.536 4.721 30 10 IJEE O=C(c1ccc(Br)cc1)[C@H](OS(=O)(=O)c1ccccc1)c1ccccc1 585667545 UEHFQRWTHJZEPQ-HXUWFJFHSA-N 431.307 4.779 30 10 IJEE CC(C)Cn1ncc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cnc21 609064566 FKABEISVHXHTIL-UHFFFAOYSA-N 425.492 4.790 30 10 IJEE C=C(COCC)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686830789 IMZMHBXUHBXZDR-HSZRJFAPSA-N 445.648 4.507 30 10 IJEE C#Cc1ccc([C@@](C)(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 687754601 MWEKJGYVYCBCOQ-HHHXNRCGSA-N 425.484 4.897 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1 698441818 LLQLKZHZANXEJN-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 728028270 BYYOGYGQSSTQSF-JOCHJYFZSA-N 435.524 4.784 30 10 IJEE O=C1/C(=C\c2ccc(-n3cncn3)cc2)CC[C@H](C2CC2)/C1=C\c1ccc(-n2cncn2)cc1 749006505 XORJLPVURFKBSM-SQYISKFZSA-N 448.530 4.704 30 10 IJEE N#Cc1ccc(Cl)c(C(=O)OCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 803832449 DCFGZURIHUHZHS-QFIPXVFZSA-N 430.891 4.543 30 10 IJEE CC(=NNc1nc(SCC(=O)Oc2ccccc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084131213 CGULZECRUHLMAI-UHFFFAOYSA-N 425.558 4.507 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3c(Cl)cccc3Cl)n[nH]2)cc1 1084150565 JHDOWCWKTYBWGD-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C\c2cccc(Br)c2)C1=O 1084579814 NLLTXYNYEFTXTH-UNOMPAQXSA-N 426.310 4.943 30 10 IJEE N#Cc1c(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)sc2c1CCCCCC2 1125197183 CCNOEZMXJDCKSI-UHFFFAOYSA-N 442.484 4.825 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3Oc3ccccc3)cc2C1=O 1125669621 QHYDFLONCVVPHP-QGZVFWFLSA-N 426.472 4.752 30 10 IJEE C#CCN(C(=O)c1cc(F)cc2ccncc12)[C@@H]1CCOc2ccc(Br)cc21 1126150861 JORMYHFYPKMRLJ-HXUWFJFHSA-N 439.284 4.736 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)c(OC)c1 1128906876 XKFULEYSYDYLQV-UHFFFAOYSA-N 444.959 4.568 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)cc1OC 1129573548 YMOIZUHKDYOCGH-SQFISAMPSA-N 441.549 4.628 30 10 IJEE C=C[C@](C)(CC)C(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1134234919 SRIIALLJKZRKPI-HHJKRLRDSA-N 428.573 4.745 30 10 IJEE C=CCc1cc(CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc(OC)c1OC 1136461054 WADRDFMQGSRGGQ-OAQYLSRUSA-N 448.604 4.624 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 1141168313 OQJJSNMHDFHKEA-QUCCMNQESA-N 449.576 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 1143641162 HQPLFLVIQKBYTP-JOCHJYFZSA-N 435.524 4.769 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)C1 1143651952 GTUSZXDWFVSKEZ-MRXNPFEDSA-N 425.554 4.566 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 1158669714 JLOZFEJHIWLKIR-JCOAXYOVSA-N 440.565 4.761 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1 1161579948 ALAPWOFWOBLGEI-ICSRJNTNSA-N 426.358 4.586 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1192459203 GBSVARVKLWQYAG-BXUZGUMPSA-N 442.297 4.761 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 1199047336 AHVJHUQUYTTWNE-LADGPHEKSA-N 432.568 4.864 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(-c2cc(F)ccc2C)s1)c1ccc(Br)cc1 1204565222 ITSRFMVNJPMAJE-INIZCTEOSA-N 445.317 4.911 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c(C#N)cn1CC 1206501884 HQUIHKVETRODGU-SFHVURJKSA-N 440.500 4.668 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC)c2cc(F)ccc2OC)cc1 1214914419 NWJCLHRHCWRLHP-NRFANRHFSA-N 425.504 4.921 30 10 IJEE C#CCOc1ccc(CNC(=O)NC[C@@H](CC)Cc2cccc(Br)c2)cc1 1222039116 FKHKRPGQLBFCAB-KRWDZBQOSA-N 429.358 4.529 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1 1226867832 VGDKDYWTHDOWEA-HSZRJFAPSA-N 449.551 4.922 30 10 IJEE C#CCN(CC)C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1264776812 RHVFTVPDAIECKA-UHFFFAOYSA-N 431.483 4.677 30 10 IJEE O=C(O[C@H](Cc1ccc(F)cc1)C(F)(F)F)c1cn(-c2ccccc2C(F)(F)F)nn1 1269317794 FLTLLRICKZZDDR-MRXNPFEDSA-N 447.310 4.756 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1csc(CC)n1 1286305649 OWCHONSXJPSLRE-AWEZNQCLSA-N 432.018 4.749 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(Br)s1 1286355086 YOIUWCXXDLZHCC-UHFFFAOYSA-N 435.416 4.804 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nc(C(C)(C)C)cs1 1286400024 UKNIBSQFSIROFI-UHFFFAOYSA-N 443.620 4.623 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1286499139 DPIYOSWADZFBRL-MOPGFXCFSA-N 445.032 4.608 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(C)C)C1 1286539638 BMSPJOQMRNLOKY-CQSZACIVSA-N 425.321 4.538 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1286542905 DXYHWLBWXJLDJQ-PBHICJAKSA-N 448.236 4.940 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286554763 IFROYKBOJZHJTO-WMLDXEAASA-N 441.523 4.639 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1286567550 RBCPHBAKBKJZCO-PTLVVNQVSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC[S@](=O)C(C)(C)C 1286569988 JEXCKXHOCPSFET-PMERELPUSA-N 428.646 4.698 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1286605242 KGKXOLHDUKKWRN-MNZLEMJZSA-N 431.378 4.535 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286614173 NJDGARFVZRVUKK-PWRODBHTSA-N 448.652 4.573 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCc1nccs1 1286694113 LIQUFMFEVNPXCQ-UHFFFAOYSA-N 438.420 4.871 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccnc(SC)c1)C1CC1 1286739913 UBZONOXARGKOGH-UHFFFAOYSA-N 435.597 4.794 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCO1 1286765924 KYZJETARAKBSSW-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(CC)s1 1286767607 CBBXWMJVJGEPTA-UHFFFAOYSA-N 435.597 4.748 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(C(F)(F)F)c1 1288506316 GFOFHLCDXJXHJT-ZDUSSCGKSA-N 434.853 4.799 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccccn1 1300373280 UXCHPNZVAQGYOI-UHFFFAOYSA-N 444.366 4.999 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1300431095 COAAENWRBKGYFN-DEOSSOPVSA-N 442.611 4.569 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1C[C@H](F)C1 1300513408 WBHLBIHYCBFJPM-HZCBDIJESA-N 429.543 4.564 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1300633860 OWHOSQAUVUFOOJ-UHFFFAOYSA-N 433.625 4.675 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1300733268 IVIQYGWIPRVAPP-ROUUACIJSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccc(C)o1 1300765971 OEQYUVULRJSMSH-HXUWFJFHSA-N 442.535 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCc1cccnc1 1300817429 LGQZKSKKJTXMCW-HSZRJFAPSA-N 438.000 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1300891175 JTNRVQYZUGFMKR-OUMCCJGNSA-N 438.616 4.937 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 1301106988 ZNQRVBWBMWDXFO-JOCHJYFZSA-N 437.632 4.824 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCC1(C)C 1301342331 VSEBGPLDLRTJKN-NRFANRHFSA-N 444.583 4.944 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@H](C)C1)C(C)C 1301366621 GIKJYWJXLGDHFX-WPFOTENUSA-N 437.632 4.566 30 10 IJEE C=CC[C@@H](CO)NCc1c(C)nn(-c2ccccc2)c1Oc1ccc(Br)cc1 1308389135 XQKWEDOLYPMLOQ-SFHVURJKSA-N 442.357 4.762 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Oc3ccccc3)n2)ccc1OC 1311311283 BZSJVUUIEYDHHG-SFHVURJKSA-N 432.480 4.885 30 10 IJEE C#CCN(C(=O)NC[C@H](C)Oc1ccccc1Br)[C@H]1CCCc2ccccc21 1312192702 LDSBYANLHKXTSN-UWJYYQICSA-N 441.369 4.939 30 10 IJEE Cc1ccc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(O[C@@H](C)CC(C)C)c1 1312292014 CSMACOOVUOFGNS-WIOPSUGQSA-N 448.611 4.728 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1352203459 OWTRKQCZPXDOTD-HNNXBMFYSA-N 442.478 4.647 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cnc(OCC(C)C)c(Cl)c1 1353817294 GVSAIICBTAUUBU-UHFFFAOYSA-N 433.888 4.513 30 10 IJEE COC(=O)Nc1cc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccc1F 1354536718 DFNMIQQUKWYUDB-UWVGGRQHSA-N 430.320 4.643 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)cc(OC)c1OC 1357246363 HUBOSCPQPSRRNY-UHFFFAOYSA-N 436.552 4.580 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(=O)n(CC)c(O)nc2c1)c1ccc(C(F)(F)F)cc1 1357298977 XPYJCRVRZQQDBT-SFHVURJKSA-N 445.441 4.578 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1359013081 KDEAKJFIJJZUQK-IFMALSPDSA-N 438.616 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1359094270 YXOGPZZCHWDJSS-GGAORHGYSA-N 431.584 4.981 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1359161203 UHJOGLNYOCGCSV-SJLPKXTDSA-N 431.378 4.537 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOCCC(C)C)CC1 1359163766 RLJNDMWYVHGCTK-UHFFFAOYSA-N 434.588 4.740 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359168125 IRNATNCZIINJHG-OAQYLSRUSA-N 444.023 4.787 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1COc2ccccc2O1 1359196901 XAZNWKMLILYGHK-UGKGYDQZSA-N 426.561 4.542 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC[C@H](C)N1CCCCC1 1359263495 CULLNJBBJCPQIV-LEWJYISDSA-N 443.661 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CC)CCOCC1 1359266557 FMGAVRLWNOECJC-UHFFFAOYSA-N 437.588 4.532 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1359340053 ZIQLFEDCEOAVEY-AZUAARDMSA-N 442.629 4.898 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359340667 VFOKCQDGARJKPM-HSZRJFAPSA-N 430.618 4.514 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)C3(c4cccc(F)c4)CCCCC3)CC2)c(Cl)c1 1436067765 GTSYCGPLYHRUBB-UHFFFAOYSA-N 425.935 4.901 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 1446322985 LUYTZAQETTUMHQ-UHFFFAOYSA-N 431.517 4.703 30 10 IJEE C=CCCC(C)(C)CNC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 1454585331 WSDDEATVDPCDBY-UHFFFAOYSA-N 429.605 4.977 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3ccc(Br)cc32)CCCN1C(=O)OC(C)(C)C 1456187456 OSUNRWNLICMZOJ-NRFANRHFSA-N 435.362 4.684 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](C)CC(=O)c3cccc(Br)c3)cc21 1458028085 UTXDUOKZEFEBCB-AWEZNQCLSA-N 426.314 4.832 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 1463934523 UXOFASGGOINHTN-XUZZJYLKSA-N 445.563 4.723 30 10 IJEE C#CCC1(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCCC1 1464124961 XMOSFEACIIUIQS-UHFFFAOYSA-N 449.561 4.698 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc1 1465730263 NMUBXHUTDKBMQB-UHFFFAOYSA-N 428.452 4.697 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc1 1475011743 RPUCHLXCBVVEDN-QFIPXVFZSA-N 429.582 4.685 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 1476009322 INKDWLWUBLZXCZ-UHFFFAOYSA-N 425.488 4.665 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1478325233 VTCGNWCSDANFBZ-IBGZPJMESA-N 436.314 4.636 30 10 IJEE C=CCC1(CNC(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)CCCC1 1478628807 OHIDCWWUFGINKQ-UHFFFAOYSA-N 438.385 4.552 30 10 IJEE COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2CCC(F)(F)CC2)c1 1504115230 COSXWIOCNKFWOS-OAHLLOKOSA-N 433.503 4.526 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1507559042 ZMPJSGQQUZRIQS-ZCNNSNEGSA-N 442.991 4.738 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 1507570512 FJSRYGUIQPPENK-PBHICJAKSA-N 425.335 4.762 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCC1CCOCC1 1507576082 JWSQRHKSARKVPN-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1507577802 UTDKILNLAVBDGM-HNNXBMFYSA-N 428.405 4.739 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507756430 VLMJYFHMQLWDEQ-KDURUIRLSA-N 432.584 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](SC)C(C)(C)C 1507774017 ZHXNZELTFUYHAK-MZLICYQSSA-N 440.613 4.560 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1507841262 UFLXTXXZQGFORH-FCHUYYIVSA-N 449.599 4.726 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507878266 JKMFWILYNMOMHI-UHFFFAOYSA-N 433.556 4.731 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCOc2ccc(F)c(Cl)c2)CC1 1507888879 KCEYFSHMMUIJQC-UHFFFAOYSA-N 432.952 4.958 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1507890091 YBJOGKGGEAMLST-SFHVURJKSA-N 437.613 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(N2CCCCC2=O)CC1 1507917541 RTLLJIFGCXYIJJ-UHFFFAOYSA-N 449.643 4.761 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1507924552 OYCJMSLQJOKFCJ-LADGPHEKSA-N 448.615 4.866 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCC1(F)CCC1 1507999760 PBBUGVIGNRSOIH-UHFFFAOYSA-N 430.531 4.995 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1508038701 BUJIXGWPOPVEGB-DLBZAZTESA-N 438.494 4.886 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1508041550 POSOFSPNTLKFKJ-UHFFFAOYSA-N 437.632 4.859 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCSCC(C)C)C1 1508120156 ZEMMCDIQPBFGOH-IBGZPJMESA-N 426.586 4.862 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1508163554 XACMOWKKRGLKDT-HXUWFJFHSA-N 444.988 4.612 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1515244863 GJXFMLDRACQUPE-SFGWALBWSA-N 447.505 4.708 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1OC 1524433144 URCHABNRFMZZSF-UITAMQMPSA-N 425.378 4.992 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c(OC)c1 1525648874 IVCMAYIULHZWHG-QFIPXVFZSA-N 435.442 4.969 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1ccccc1 1526053702 PTOSCQQWYQEXLO-QHCPKHFHSA-N 440.971 4.530 30 10 IJEE C#C[C@H](NC(=O)c1ccc(I)cc1Cl)c1ccc(Cl)cc1 1528062168 XZSGDIYRGGXNLU-HNNXBMFYSA-N 430.072 4.702 30 10 IJEE C=C[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 1529851573 YWMHABFCZITHMZ-XWMMGPHDSA-N 427.548 4.718 30 10 IJEE CN(C(=O)[C@@H](CC#N)c1ccccc1)c1nccc(-c2sccc2Br)n1 1530596415 FTVYJEWDWUYHMT-AWEZNQCLSA-N 427.327 4.628 30 10 IJEE N#Cc1ccccc1N(C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)C1CCC1 1532422218 DVMACTPOHVZWBJ-UHFFFAOYSA-N 434.496 4.534 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)OC)ccc1Sc1ccc(Cl)cn1)OCC 1533413451 IOXHYTRUBVLUNS-QGZVFWFLSA-N 434.945 4.983 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 1537528308 OOUDQOKEPWGXOC-OAHLLOKOSA-N 434.355 4.726 30 10 IJEE Cc1ccc(C(=O)c2c(NC(=O)c3cccc(C#N)c3C)sc3c2CCN(C)C3)cc1 1538225211 APZWKCZWAJEHGD-UHFFFAOYSA-N 429.545 4.708 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1C1CC1 1538988042 ZPXNEBAVQVRGEW-QAPCUYQASA-N 432.399 4.727 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCN(C)C1CCCCC1 1539028498 BBDPCMROBKLPCA-JOCHJYFZSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1539064031 WKQDRQHOEPHDMB-UHFFFAOYSA-N 427.552 4.836 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1539075610 CAZMMFWTLOIBSV-GOSISDBHSA-N 448.521 4.796 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1ncc(C)s1 1539343131 FTDMCLBYOXPZPP-NVXWUHKLSA-N 427.549 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](CC(C)C)C1 1539643067 KUUCSQWFZQNMJP-FBLLAGFSSA-N 438.616 4.753 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1539891369 ACNXGNVYXLTHCO-FQEVSTJZSA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1539929630 ZARDZHYKWBXIPZ-DYESRHJHSA-N 428.552 4.602 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC)nc1)C1CC1 1540114078 HYDRHSOLCKQCLU-UHFFFAOYSA-N 447.583 4.761 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C)C1)C(C)C 1540151130 DHDJTDNIVMZVKO-RDPSFJRHSA-N 432.616 4.971 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](CN(CC)CC)C1 1540854178 MVMNKLKXBDCCNZ-QFIPXVFZSA-N 432.616 4.707 30 10 IJEE CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1541101375 AUURFISPZUQGEQ-XMMPIXPASA-N 442.515 4.829 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 1564063239 OFXJFDCCHZLLSL-FQEVSTJZSA-N 439.314 4.980 30 10 IJEE C=CC1(CC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CN(C(=O)OC(C)(C)C)C1 1566249482 RNNBNKVTNPWNMH-UHFFFAOYSA-N 425.356 4.691 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3[C@@H]4CCCC[C@@H]4CCN3C(=O)OC(C)(C)C)cc21 1585552023 MJAPLVMMWVMRHL-ZNLUXHQJSA-N 438.572 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCCN1CCCC[C@H]1C 1587668430 ZGCRCBSORGQUER-XZOQPEGZSA-N 437.632 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1589515242 MIXKDNGKKQXVRV-KNKQGSTJSA-N 442.579 4.849 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589559973 WBXMXMJLSUQTAM-WCIYBSDLSA-N 448.533 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC[C@H]1C 1589614758 FRAUASOWSRQDSJ-SJLPKXTDSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H](OC)C(CC)CC)CC1 1594036751 XFVYEEZDABVEQC-OAQYLSRUSA-N 427.549 4.851 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1594194873 XYVPGMJRUBAYIU-IEBWSBKVSA-N 426.552 4.620 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCC(OC)CC2)CC1 1594430006 GJDYZWFUWILRDS-UHFFFAOYSA-N 428.552 4.604 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(F)c1 1595156409 KXKNNWHNGOKYEP-QGZVFWFLSA-N 430.524 4.753 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(Cl)s1 1595307637 HFFOEPHQAJMFMY-SJLPKXTDSA-N 439.025 4.599 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1ccccc1SCc1ccc(Br)cc1 1595807375 GDHGXJIHDTZNLK-GOSISDBHSA-N 432.383 4.900 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccccc1 1603510302 JKKNLFKKVFGPKJ-WVDZOPJMSA-N 437.348 4.586 30 10 IJEE Cc1nc(N)c2c(C)c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)sc2n1 1611406406 HXLHZKOOXQWYGE-UHFFFAOYSA-N 429.505 4.593 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 1621709777 FPQJJVOILXEZFO-FQEVSTJZSA-N 432.879 4.752 30 10 IJEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1624973606 GIZHHTOZDWUVHK-MAUKXSAKSA-N 430.549 4.645 30 10 IJEE C#CC[C@@]1(C(=O)NCC(c2ccccc2)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1628237493 BUFQVRHEWHIGDK-MHZLTWQESA-N 432.564 4.728 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2c(F)cccc2F)CC1 1629784637 PIRNVRORELAOBT-IBGZPJMESA-N 442.934 4.782 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C(=O)OC(C)(C)C)c(C)c3)n[nH]2)c1C 1632224581 ZWXSGVPLVMQMJE-UHFFFAOYSA-N 435.528 4.592 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633894970 MXYAOKBJPLNNOW-UZTOHYMASA-N 430.548 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 1634608004 HFJXXQACLSTZBG-QGZVFWFLSA-N 437.471 4.685 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CC)Oc1ccccc1Cl 1635137290 GPSCGXXOWVTHCC-ZBFHGGJFSA-N 431.360 4.650 30 10 IJEE Cc1cc(C)c(C#N)c(SCC(=O)N=c2sccn2Cc2cccc3ccccc23)n1 1643399301 CDFQKOGRLJBZRA-UHFFFAOYSA-N 444.585 4.854 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1648409447 JKPDNHYPNGDMLN-NRFANRHFSA-N 426.582 4.929 30 10 IJEE C#CCN(CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CCCCC1 1652403390 LEPOVDMSIUGJFG-OAQYLSRUSA-N 431.580 4.726 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 1653156349 CNRLZYOTONYYDI-KRWDZBQOSA-N 434.565 4.930 30 10 IJEE C=CCOc1ccc(CNCCCN2CCN(c3ccccc3Cl)CC2)cc1Cl 1656214348 RFTDWQRNHWUISB-UHFFFAOYSA-N 434.411 4.860 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(NC(=O)CCC)c1C)c1ccc(Br)cc1 1658587515 ZPQOBMLEAXKIBN-KRWDZBQOSA-N 428.330 4.992 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C 1666389197 BCCZQUFAJGNDNQ-YLJYHZDGSA-N 444.576 4.893 30 10 IJEE CC[C@H](C)Oc1cc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)ccn1 1669880930 HRKBKUKIOHXJSB-KRWDZBQOSA-N 446.555 4.935 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@H](COc2ccccc2)c2ccccc2)CC1 1678438548 DRFYIZBQHSTDJH-RUZDIDTESA-N 440.547 4.647 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1680822961 DNIDKYZEEJJDDI-KKSFZXQISA-N 429.351 4.821 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)c(F)c1 1681783317 IQHLUSCYAQKSTJ-CVDCTZTESA-N 434.490 4.896 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCC1CC(OCC)C1 1690066797 NIPQFPSFNLEECF-UHFFFAOYSA-N 449.368 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](OC)[C@H](C)CC 1690198201 GSVWCGPTMDGMQL-NIJIEXERSA-N 430.980 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1690235550 AWTGQXBOQDKEFW-HIUFNZKISA-N 443.661 4.718 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CCOCC1 1690304970 SZBIMACZRQZZQV-UHFFFAOYSA-N 426.605 4.698 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1690412625 YRMKGXHPBHLCPF-ICSRJNTNSA-N 431.625 4.525 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@](C)(CC)C1 1690476519 GBZNUSMTLLCHAQ-HXUWFJFHSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@H](OC)C1 1690492162 OPVHDUZSVRNIAN-HNAYVOBHSA-N 439.387 4.991 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](OC)C(C)(C)C1 1690734256 ZUMQCFRNHNFJHI-CTNGQTDRSA-N 444.645 4.815 30 10 IJEE CO[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC#N)CC1)C(C)C 1697152502 FDBANOMHNWFUEG-YLJYHZDGSA-N 441.645 4.932 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCOC1CCCCCC1 1705490725 PJBUEYTYHXQUOC-LJQANCHMSA-N 433.556 4.797 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705521021 NZTJHNOKGKUDAF-GMAHTHKFSA-N 449.643 4.631 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H](C)C#N 1705653981 UWNOIFUQGPWIFQ-MAUKXSAKSA-N 446.020 4.651 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C)(C#N)CC1 1705654771 SQGMIYDKWXAOJZ-KRWDZBQOSA-N 439.654 4.628 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCCC)CC1 1705657688 NJMWUKWLTDXBRF-GOSISDBHSA-N 433.021 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1csc(CC)n1 1705678019 LFIDONLPCHPGFQ-HSZRJFAPSA-N 437.638 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C1CCCCC1 1705721051 XLQHHOGJKDZTHZ-OTPAQWSUSA-N 432.653 4.930 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccccc1 1705721597 LQHKBTMEPXPCFL-GOSISDBHSA-N 426.362 4.964 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CCOCC1 1705745351 HFZYKOWPWLGLAE-OAHLLOKOSA-N 425.360 4.687 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCCN2CCCCC2)CC1 1705772889 YTGABHMQEHRZLR-UHFFFAOYSA-N 441.595 4.809 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccccc1 1705795983 VYAYSCSNFRFWQE-NFBKMPQASA-N 445.615 4.577 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705796054 XTJRXVNSFVQBAV-RTBURBONSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(CN2CCCCCC2)CC1 1705807885 RAXSWHPJLCPXBD-UHFFFAOYSA-N 436.648 4.713 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](N2CCCCC2)C1 1705809431 RDFZRSLXDOTENX-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1)C1CC1 1705856637 ZUSIHVGBHRUPLQ-HDICACEKSA-N 429.609 4.640 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CC=C(C(F)(F)F)CC1)C(C)C 1705867163 IZAMZIMRMFMOFG-FQEVSTJZSA-N 437.554 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCCCC1 1705871641 RCWGFXBNDANIMV-UHFFFAOYSA-N 445.405 4.890 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)N1CCC[C@H](C)C1 1705871842 ZYYGBYHRKRZADA-SFTDATJTSA-N 430.600 4.792 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2ccncc2)C1 1705921457 SHYUSNIUCASDHJ-GOSISDBHSA-N 444.366 4.671 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CC=CCC1 1705943293 UQECWRYXRFYIQA-HXUWFJFHSA-N 434.613 4.843 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1cscc1C(F)(F)F 1722415422 QWKATCPOTUZFFB-UHFFFAOYSA-N 448.514 4.660 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCO[C@H]1CCCC[C@H]1C 1722418413 PNVOXASVBPHWGD-YKSBVNFPSA-N 449.574 4.658 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1C(C)C 1722452212 MZQNONVQBGFOBF-SFHVURJKSA-N 433.419 4.699 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](COC)C1 1722479338 COOKDLNBQIQKGR-CYBMUJFWSA-N 443.748 4.509 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1722488683 BOUAGMNYLMTJCR-HOTGVXAUSA-N 437.769 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc(F)cc1F)C1CC1 1722508986 NBHFCVXHGYJBMG-MBSDFSHPSA-N 430.543 4.905 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccsc1 1722534635 UOSHCANGEJCXFD-OAQYLSRUSA-N 438.597 4.873 30 10 IJEE C=C(Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccco1)Cc1ccco1)c1ccccc1 1722537904 HRGCXWZEXNVBRC-UHFFFAOYSA-N 445.523 4.523 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCC(C)CC2)CC1 1722560980 LJSLWCGNQIBKNT-UHFFFAOYSA-N 445.558 4.825 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCOCc2ccc(OC)cc2)CC1 1722579868 LOBZHESXPFWLQA-UHFFFAOYSA-N 438.597 4.558 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1722586976 VSJSEQPRLJAEQB-UHFFFAOYSA-N 447.583 4.999 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722602358 YFPXZZRAIZNEHU-HXUWFJFHSA-N 439.585 4.653 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1722605149 XAIKERIQARIUHR-FQEVSTJZSA-N 429.653 4.698 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1C 1722654875 XUCPCHTXPFHJOU-UNMCSNQZSA-N 431.584 4.901 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)CCC)C1 1722717133 FACAAOQNVLRNLR-PXDATVDWSA-N 426.605 4.575 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1CCc1ccc(Br)cc1 1722930567 DXTUYABRVDCXLB-UHFFFAOYSA-N 430.394 4.612 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740582754 RDUWQFGEGBRRFL-HXUWFJFHSA-N 432.572 4.731 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCC1(F)F 1740630941 GRLHMBRSZFSYAP-SFTDATJTSA-N 440.538 4.933 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccccc1 1740746903 RVRLXZXGXQWHEC-CQSZACIVSA-N 432.391 4.740 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740760006 NKTUVBXNKZFBEU-LSWJPFSZSA-N 445.007 4.689 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCC1CCOCC1 1740785755 ZWOCXMWKZJXJBS-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC2(CCOCC2)C1 1740871332 ANBXGLBKBLFHFU-UHFFFAOYSA-N 449.020 4.676 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1740889046 LRFNDGXPUUXATI-CNNODRBYSA-N 428.552 4.919 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCC1(C)C 1740915406 FQDDUWIZXFJLHQ-NRFANRHFSA-N 434.588 4.706 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1ccc(OC(C)(C)C)nc1 1740916869 ZMJFIFUVOHKLGF-UHFFFAOYSA-N 430.556 4.525 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C(C)C)N1CCCC1 1740919167 XCWSYEBLJKQYHJ-DEOSSOPVSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC1CCC(OC)CC1 1740919745 QMNAPRNFDIJKKO-UHFFFAOYSA-N 435.547 4.877 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)cc1F 1740937293 DRASMUGJGYSLKR-GOSISDBHSA-N 444.938 4.841 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 1741301411 GYIHUKOPDXAQQZ-NRFANRHFSA-N 436.387 4.789 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCc2cccnc2)cc1 1741524837 ANGPXKRKKWZGOT-UHFFFAOYSA-N 444.583 4.748 30 10 IJEE Cc1ccoc1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H](C)CC#N 1742072812 GNAMANYHTSLHRJ-GOSISDBHSA-N 431.496 4.805 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C)s2)n1 1742517923 DXGSBNGSOXMNCH-CQSZACIVSA-N 449.609 4.787 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCCC1(C)C 1743917708 FHDIQLOKIJHJEK-BKMJKUGQSA-N 435.616 4.891 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1748649187 KYHGNSVYNFMEAL-SJORKVTESA-N 445.995 4.559 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(C2CC2)CCC1 1748855932 MLFNCEYKTFZPCJ-UHFFFAOYSA-N 430.596 4.808 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCCCCC1 1748944293 SGCIFZHOSTWPAP-UHFFFAOYSA-N 435.547 4.501 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C2CCC1(C)CC2 1749021930 COJLOUVIJAZNME-JNDNBTNTSA-N 440.613 4.705 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC[C@H](C)N2CCCCC2)CC1 1749347336 NUJIENQZXJMPAG-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1749398858 UQKYZYPXAAYZQN-IBGZPJMESA-N 441.624 4.682 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749406421 HYENINSHZGCLHM-VVZHRXSXSA-N 438.616 4.582 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1CCCCC1 1749586033 JMXARPSLDXMFSS-UHFFFAOYSA-N 432.616 4.955 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](SC)C(C)(C)C)C1 1749717477 LJWSEVJMROPZNK-NHCUHLMSSA-N 444.645 4.725 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(F)cn1 1751098516 IERICBQCMYUSRO-AWEZNQCLSA-N 430.940 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCS1 1760123455 GJASKRYHYFKATM-HOCLYGCPSA-N 439.412 4.908 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCSC2)C1 1760131449 SKHZFVWLAMCDRN-WZONZLPQSA-N 428.577 4.694 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@](C)(O)CCC(C)C 1760291076 ZYTRSQYFGXFRHD-FTJBHMTQSA-N 446.599 4.515 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760384808 HQJHLXVWBPUQLI-AUUYWEPGSA-N 439.423 4.723 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@@H]2CCCCO2)CC1 1760396995 MLBIOIVKCXVYKG-ICSRJNTNSA-N 428.552 4.919 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC(=C)Br 1760477545 CTSWOSFODGXRGJ-LJQANCHMSA-N 447.377 4.630 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1CC(C)C 1760485418 BTFYJUSXYGORSE-UHFFFAOYSA-N 434.407 4.956 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCSC1 1760487492 VYYHPTKWHVAUIJ-GOSISDBHSA-N 425.627 4.661 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1760562504 LSPIXZIUDYZTLZ-UHFFFAOYSA-N 447.608 4.952 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCSCC2)CCCCC1 1763669328 FLOJSYHQKAMTLA-OFNKIYASSA-N 444.693 4.673 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)C)C1 1766795400 IBRGYQWXXCKUHC-RTWAWAEBSA-N 427.618 4.600 30 10 IJEE CS[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1771396900 GUAMDXKRZSSHJW-REDKUUPNSA-N 449.571 4.777 30 10 IJEE Cc1nc(N2CCC(C(=O)Nc3ccccc3C#N)CC2)nc(O)c1-c1ccc(Cl)cc1 1858554830 KAZGFZXCRUGGRR-UHFFFAOYSA-N 447.926 4.538 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3sc(C(C)C)nc3C)nc12 1859750217 QNXQDJIFYYWFAG-UHFFFAOYSA-N 446.536 4.750 30 10 IJEE Cc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2)cc1 1860092162 PIKYRRHNYWPACW-UHFFFAOYSA-N 431.517 4.687 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)cc1 1860827498 SHBQLIOYOPJAIY-GFCCVEGCSA-N 440.912 4.502 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 1862413056 UJLHGBSQCKKERL-NRFANRHFSA-N 429.463 4.750 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1 1862451547 IJOOADNEOPQRFO-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862480188 ZYNOHXHRARZICW-IQOKHDRSSA-N 447.531 4.923 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 1862536402 XLJFNBRMPYBOIB-JOCHJYFZSA-N 449.938 4.768 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862562759 NIMFVTHDSUIXGB-LJQANCHMSA-N 449.334 4.581 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)cc1 1863445852 LYKSYJMHGFWQHN-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2ccc(OC)c(OC)c2)C1=O 1863520799 IARNYJMFYYYDMM-UHFFFAOYSA-N 440.540 4.527 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)c2ccc3c(c2)CCCC3)=C(c2c[nH]c3ccccc23)C1=O 1863816756 BYBAUXCOPYKTAC-KRWDZBQOSA-N 425.532 4.663 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cccc(Br)c2O)c1 1866247219 SBVFEDFZYKHHPU-UHFFFAOYSA-N 435.277 4.818 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](c1ccc(F)cc1)C(C)C 1868699807 LPUFJXIAFKJRDY-DQEYMECFSA-N 436.571 4.884 30 10 IJEE C[C@@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870232616 BFVNHLVDFYDRDH-MRXNPFEDSA-N 440.952 4.625 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCc2ccccc2C1 1870348835 OANCJEGMSSBHLU-UHFFFAOYSA-N 427.548 4.657 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccccc3F)c(CN3CCCCCC3)cc2=O)cc1 1870350340 AUQSVGOWSYCLLF-UHFFFAOYSA-N 445.538 4.862 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1cccc(Cl)c1 1870884422 DKAXQMFGTJHMLP-UHFFFAOYSA-N 440.927 4.766 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc2C1=O 1871370004 CIZCZRZZPKFBIA-GRSHGNNSSA-N 426.346 4.948 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871752502 ARNPSLBUHDXUEB-JOCHJYFZSA-N 428.598 4.760 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(C)C)S(=O)(=O)c1ccccc1 1871806742 GMMPMYHDKVBGPM-IBGZPJMESA-N 440.487 4.545 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)CCCC 1872266062 QRTWQGRNNUGTRH-LJQANCHMSA-N 432.989 4.984 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)OC(C)(C)C 1873886478 WUEACPVJZYYMOR-FQEVSTJZSA-N 448.604 4.842 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc(OC)c1O 1874317132 XOHSHFYORHREMV-BUVRLJJBSA-N 438.553 4.554 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874323220 DYQPGLJYPDQTLB-FSJBWODESA-N 437.525 4.933 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(O)c(O)c2)c1 1874378462 OBHLEFOULWWPNY-VULFUBBASA-N 448.523 4.902 30 10 IJEE CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874380472 UZCQFRVSZWORSU-ZVHZXABRSA-N 428.533 4.798 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874429539 OIYJAEMPJNPQSX-DHRITJCHSA-N 433.537 4.600 30 10 IJEE COCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Br)cc1 1874470125 OEWOXATVILLBQU-LPYMAVHISA-N 445.386 4.712 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccccc1OC(C)C 1874496710 AHQAUCRABOOINV-FSJBWODESA-N 430.574 4.506 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cc(Cl)c1O 1874567510 BATRZIJEQWUOQO-ZMOGYAJESA-N 438.940 4.755 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cccc(OC)c1 1874572435 NFECIJCCHJEVOK-PKNBQFBNSA-N 446.341 4.601 30 10 IJEE COc1ccccc1CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875147292 VHTYNTQOQHZSKW-MDWZMJQESA-N 444.483 4.901 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2OC)c1 1875152751 RBPDRNINURUPNS-JXMROGBWSA-N 446.455 4.938 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C(F)(F)F)c(OC)c2)c(OC)cc1Cl 1875173770 UKNGAYYHDDWCGI-GQCTYLIASA-N 444.789 4.730 30 10 IJEE O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 1891187809 ONSRXWXQZPEPPP-AWEZNQCLSA-N 437.315 4.944 30 10 IJEE Cc1cc(C#N)cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1952853219 LUAIMFMOSDDCBB-IGKIAQTJSA-N 438.483 4.705 30 10 IJEE CC(C)(C)OC(=O)N(CCN=[N+]=[N-])[C@H](C#N)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2022144399 JWEHNHJLGDPTEI-QVKFZJNVSA-N 436.557 4.852 30 10 IJEE CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(-c2oc3ccc(C)cc3c2C)c1C#N 2069434755 SQZHMADLZXTREB-UHFFFAOYSA-N 430.420 4.859 30 10 IJEE COc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)c(C)c1 2079936042 KDQLQFPOZGJVGF-GFCCVEGCSA-N 441.313 4.520 30 10 IJEE Cc1nn([C@@H](c2ccc(OC(C)C)cc2)C2(C)CC2)c(I)c1C#N 2080103512 JSWXBMLLSIPACF-KRWDZBQOSA-N 435.309 4.845 30 10 IJEE CC[C@@H](CCCC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2085166971 MTACKKWZNLWTNN-MSOLQXFVSA-N 438.418 4.545 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(C#N)c(Br)c1F 2107384892 ZATARJIAZRSLOS-WFASDCNBSA-N 426.330 4.907 30 10 IJEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(Oc2cccc(OCc3ccccc3)c2)n1 2115997725 GIOSEECNISGGCL-UHFFFAOYSA-N 432.329 4.764 30 10 IJEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 2118191402 FBDGHJWFASPRRF-QWHCGFSZSA-N 426.330 4.589 30 10 IJEE Cc1ccc(CN2CCN(Cc3ccccc3)CC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2150465776 LHDWZUFLROTELM-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2Nc2cc(Br)c(C#N)cc2F)C1 2162344254 VWMAMOGFACXONO-DXCKQFNASA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(C#N)c(Br)c2)CCCCC1 2181132021 BNMZXNGJBUOFLY-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)C#Cc1ccccc1Br 2235728712 MCMOLDXFSMCMDP-IBGZPJMESA-N 426.310 4.736 30 10 IJEE C[C@@H]1[C@@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267097537 POXIYZPBIYEBDE-QBKZBJQZSA-N 440.437 4.664 30 10 IJEE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2267101721 ZSLAPTYCKLKLHH-UHFFFAOYSA-N 444.381 4.864 30 10 IJEE N[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 2268342200 FZEMDIXWWBSFRB-GOTSBHOMSA-N 449.348 4.796 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2272850467 VLGLZTSAZMUPKX-WBVHZDCISA-N 431.321 4.685 30 10 IJEE C=CCCC1([C@@H](NC)c2cc(Br)nn2CCC)CN(C(=O)OC(C)(C)C)C1 2281054388 WWNMIJQYAISFBX-KRWDZBQOSA-N 441.414 4.519 30 10 IJEE O=[N+]([O-])c1ccc(NCCN=Cc2cc(Br)ccc2O)c(C(F)(F)F)c1 2294013824 DICKXCYNANPYOD-UHFFFAOYSA-N 432.196 4.613 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1Cl 2296133039 WQNBPKMNINSFJN-HXUWFJFHSA-N 438.842 4.509 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2cccc(Br)c2)CC12CCCC2 2296230266 RNJAVPDPBUYAFO-KRWDZBQOSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(N)(C#Cc1ccc(Br)cc1)CC2 2296230938 YLCVBMVWWZFGJG-YTXWROIDSA-N 433.390 4.603 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](O)C#Cc2cccc(Br)c2)CC1 2296232572 OTJJEQVMONODRC-IBGZPJMESA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@H](N)C#Cc1cccc(Br)c1 2296279714 RSMRSKPUGTUDNI-DENIHFKCSA-N 429.358 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CCNC(=O)OC(C)(C)C)C(C)C 2296292786 CABPNCQWCKDKPF-VQTJNVASSA-N 437.422 4.966 30 10 IJEE COc1cc(C=NNS(=O)(=O)c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 2323396191 FHFVZHVEFJZUOX-UHFFFAOYSA-N 438.549 4.512 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 2324882950 TWIXHZTYKATEMQ-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2325715723 HDZBKRQGTAKHCB-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C=Cc1ccccc1Cl 2325951283 IOTNQQKAGQGHCW-UHFFFAOYSA-N 435.936 4.519 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccc(Cl)c1 2326769193 WDAOPOHKOVKTOY-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE CCOc1cc(C=Nn2c(CC(C)(C)C)nnc2SCC)cc(Br)c1O 2330833170 JLTMLTIKMMDMEA-UHFFFAOYSA-N 441.395 4.728 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(F)c1 2331048278 CURWKFGNUQHMLW-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1 2331201806 WRKXEYWQJPRELO-UHFFFAOYSA-N 432.432 4.812 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc2c(c1)OCCO2 2331329104 ZFMADIFAXVFKNO-UHFFFAOYSA-N 426.517 4.706 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)C)cc1 2331685185 RDHLTLSKWDZZQF-UHFFFAOYSA-N 437.569 4.722 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1ccc(Br)cc1F)C(=O)OC(C)(C)C 2337908630 ZOSAPYXLKZLQOJ-GOSISDBHSA-N 427.358 4.889 30 10 IJEE CC[C@H](N[C@H](C)CCN(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338524889 WNORHKJQOVBYLV-NQIIRXRSSA-N 446.441 4.672 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CCOC[C@H]3OCc3ccccc3)nc2)OC1(C)C 2339601176 VLJMVLGSQLNUNM-CUHRTYRFSA-N 436.361 4.512 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](Nc1cc(Br)cc(F)c1C#N)[C@@H]2F 2358244161 LTMBOEWYBBYDKX-JKEMJCCQSA-N 442.304 4.750 30 10 IJEE Cc1cc(CN[C@H]2CN(Cc3ccccc3)CC(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677209 JFMZHDNRVORHBL-RUZDIDTESA-N 448.460 4.685 30 10 IJEE Cc1ccc(C)c(NC(=S)N=C(Nc2nc(C)cc(C)n2)NC2Cc3ccccc3C2)c1 14159432 HKHNEALRSWCAHW-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE Cc1cc(Cl)ccc1N/C(=N\C(=O)c1cccnc1)NCCc1c[nH]c2ccccc12 32943092 KIQCXPILBXKSJP-UHFFFAOYSA-N 431.927 4.965 30 10 IJEE Cc1cccc(C)c1NC(=O)C[C@H]1SC(NN=Cc2ccc(Cl)cc2Cl)=NC1=O 33469607 NNWOKOJFONKJTG-MRXNPFEDSA-N 449.363 4.561 30 10 IJEE Cc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccc(F)cc4)c3O)c(C)c2c1 38624045 NLXLXNKITWSXCM-UHFFFAOYSA-N 430.435 4.515 30 10 IJEE C=CCn1c(SCC(=O)Nc2nnc(S[C@@H](C)CC)s2)nnc1-c1ccccc1 59775950 LPXXZVNKWYZUTE-ZDUSSCGKSA-N 446.627 4.604 30 10 IJEE COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2C)cc1Cl 100293131 ZCCGOIRAYBHZQJ-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE Cc1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 102539672 RSYLTSMMKYXRIT-HQMFNGAOSA-N 434.448 4.963 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3cc(F)ccc3F)S2(=O)=O)cc1 105336518 ZWRSQOAYMAHWOC-YBFXNURJSA-N 446.500 4.821 30 10 IJEE CCCCOc1ccc(/C=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1OCC 169894950 RQEZZWNDKVZXCX-MYYYXRDXSA-N 440.931 4.910 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2O)c1 169931951 JFRCGCPAJIRERW-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2OC)cc1C 169942854 CGUIQTDEZHAYCR-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)cc1 169982225 OTLRZPYTDYWVTJ-JOCHJYFZSA-N 448.544 4.996 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccncc1 170019420 ZIPDZZUMFBKBAG-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccncc2)c1 170025434 SPDOSVDBEIZTGB-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1 170044172 ZYTYTEQZKYQZNQ-QFIPXVFZSA-N 425.912 4.886 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)c1 170054836 XCRYJLQGYBTKIV-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170058652 UHQZHHRSDOWMIJ-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 170130039 BNMOLSOOPMVIJV-XMMPIXPASA-N 448.563 4.981 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)cc1 170138005 JOVULLJPACBVJV-XMMPIXPASA-N 449.547 4.664 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccn2)cc1 170167731 VSSCYVKEKLRBTO-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)c(C)c1 170173416 KNUJEAZJZCVZOA-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)cc1C 170200982 KBPWLPIETFNZDZ-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)s1 170203916 QXKQGVOAFWXGSU-QGZVFWFLSA-N 425.897 4.591 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1cn(C)c2ccccc12 170269503 NEYMPWOLIAPISN-QFIPXVFZSA-N 432.520 4.792 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccc1C 170270367 MPCYIEYTLNOHOH-HXUWFJFHSA-N 448.544 4.652 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1C(C)C 170292579 STWJSMLPKFTTGX-QHCPKHFHSA-N 446.503 4.894 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)o2)cc1 170301528 SWXVFSUWDHTXSD-IQMFZBJNSA-N 445.471 4.703 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)o2)cc1C(C)C 170307583 YXUJPIWBLOENET-HSZRJFAPSA-N 446.503 4.894 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OC(C)=O)c1 170321423 LSSPNZPYIIVVEE-QHCPKHFHSA-N 429.472 4.753 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(OC(C)C)cc2)c1 170346671 JPNDLMFFESNCLO-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE CCN=c1scc(-c2cccc(Br)c2)n1N=Cc1ccc2c(c1)OCCO2 254291577 MKWBTDQEHLBTKK-UHFFFAOYSA-N 444.354 4.553 30 10 IJEE N#Cc1ccnc(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)c1 436014776 GLFKJAUFQOGSRB-LJQANCHMSA-N 426.245 4.614 30 10 IJEE CC1(C#N)CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)CC1 507706220 XZWHPBJPMDKTCB-UHFFFAOYSA-N 442.563 4.885 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1ccc(SC)c(OC)c1 508879507 FYIXRZUTFHCLCV-UHFFFAOYSA-N 440.569 4.515 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 508929380 HJVVQIPLSYNXQA-LJQANCHMSA-N 443.345 4.681 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(O)c(Br)c1 526803212 RXZFOCBXVWMRKA-FBHDLOMBSA-N 435.322 4.622 30 10 IJEE CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 540308114 MRPYQXGZCICTOP-UHFFFAOYSA-N 437.503 4.606 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 549641811 XXGFADFPVSUCKG-HRAATJIYSA-N 440.569 4.566 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 585852615 PLBSATIYTZKSJG-UHVLJITJSA-N 447.362 4.525 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)/C=C/c3ccccc3)C2)c1 586021542 OZWAKVZSDMRTTD-QDEBQFNMSA-N 431.580 4.958 30 10 IJEE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 590849900 GAJJXSGAMJKANL-GOSISDBHSA-N 441.497 4.682 30 10 IJEE CCc1cccc(CC)c1NC(=O)Cc1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1 618401595 PPLPGRQBSUJSTD-NRFANRHFSA-N 429.524 4.589 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2nccs2)CC1 670215248 FDCDEVPVUFMCHA-UHFFFAOYSA-N 429.977 4.927 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)cc(C)c1 733202349 QMRQAVGUIIICOJ-HXUWFJFHSA-N 441.503 4.565 30 10 IJEE COc1ccc(CNC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)cc1C#N 746859910 TXXJUJIKPGAIOI-UHFFFAOYSA-N 442.515 4.597 30 10 IJEE N#C[C@H](COC(=O)CCc1cc2ccccc2nc1O)Cc1ccccc1Br 786639867 UCDMROGMBTXEML-OAHLLOKOSA-N 439.309 4.561 30 10 IJEE COc1cccc(/C(C)=C\C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 787046821 SSZCNQHORJKWEU-SNJKHSOWSA-N 431.319 4.992 30 10 IJEE CC(C)(C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1csc(-c2c(Cl)cccc2Cl)n1 796383249 GPTSKSZDRIZYIA-AWEZNQCLSA-N 449.407 4.593 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1ccc(C)cc1 1084300997 GAHUCXQGIJZORC-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 1128305054 KILKHYJVKSNHTG-QGZVFWFLSA-N 427.342 4.868 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](Cc2ccccc2)c2nccn2C)s1 1130675757 DETFDTPGTJMGHX-QGZVFWFLSA-N 447.029 4.672 30 10 IJEE C=CCn1c(SCC(=O)NCC2CC(C)C2)nnc1-c1ccc(Cl)cc1Cl 1131583478 JLSZIUVYINDIPN-UHFFFAOYSA-N 425.385 4.692 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1148727224 LBAQLECKKOUXQH-INIZCTEOSA-N 425.367 4.733 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2ccc(F)cc2F)s1 1156065333 MCYZQZJQKPPRQW-QGZVFWFLSA-N 449.523 4.566 30 10 IJEE C=CC[C@H]1CCCN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])C1 1163690590 PIISSUDAYFGPMD-SFHVURJKSA-N 429.542 4.603 30 10 IJEE C=CCn1c(SCC(=O)N[C@@]23CCCC[C@H]2C3)nnc1-c1ccc(Cl)cc1Cl 1171404143 YWEBOZRTRBGLPS-RNODOKPDSA-N 437.396 4.979 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)Cc2ccc(F)cc2F)c1 1184699681 RXGUJVVWTDCQMH-UHFFFAOYSA-N 444.455 4.669 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(-c2nc(C)cs2)cc1)c1ccc(Br)cc1 1190716378 SELBGQNRPAFALA-GOSISDBHSA-N 447.379 4.534 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cc1 1215112730 UXUFNTYALAUVON-HOTGVXAUSA-N 431.458 4.622 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 1217001831 QAKSCCFOGYKPAJ-OAHLLOKOSA-N 435.293 4.930 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(C)(N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 1224640366 DDNRFCNARMLKNB-FQEVSTJZSA-N 439.522 4.609 30 10 IJEE COc1cccc(C(=O)c2c(NC(=O)c3ccc(C#N)cc3OC)sc3c2CCC3)c1 1268884840 GQLMVNFWCNSXPU-UHFFFAOYSA-N 432.501 4.609 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccc(Br)cc1 1275474429 OJCLBAYUEKAAKY-JOCHJYFZSA-N 447.332 4.830 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCC(C)CC1 1286282521 RHCYFEDSUGKFMH-JQHMZKTJSA-N 445.405 4.761 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1286317802 UMPPACJSEWCBFM-IBGZPJMESA-N 445.405 4.681 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1286343554 LCMMKPFXOVUDOA-LJQANCHMSA-N 436.581 4.614 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)c1ccccn1 1286441090 PGNWBSGBXOABQH-UHFFFAOYSA-N 447.583 4.573 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1c[nH]c2ccccc12 1286503232 CFXFEDZLYCVJBE-UHFFFAOYSA-N 430.581 4.523 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(C)C)C1 1286533487 HMRAUDIMMJGOCD-MRXNPFEDSA-N 434.338 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCOc1ncccc1F 1286573454 LIXNAHZXGAAFKV-UHFFFAOYSA-N 448.502 4.616 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1286620106 FZTAQTXOENMTFB-JTSKRJEESA-N 429.952 4.699 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC(C)(C)O)CC1 1286640597 KIXXSMZQJINSBF-UHFFFAOYSA-N 439.785 4.678 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 1286646920 XPBVGWNDTVTIOE-JOCHJYFZSA-N 437.632 4.869 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2N(C)CCCC2(C)C)CC1 1286659508 RZTQOGZMJOVJEH-JOCHJYFZSA-N 425.596 4.531 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](OC)[C@H](C)CC 1286719314 FSERSDFAMSEWQC-CXAGYDPISA-N 425.346 4.530 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1CC 1286728864 IJBCTDJUFWYFCQ-FQEVSTJZSA-N 425.577 4.583 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(CCC)C1 1286749498 UDSYMNMJAKHEKB-TZIWHRDSSA-N 429.634 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccoc1 1286755493 AWPADIVELIOSRQ-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccccc1-c1cnn(C)c1 1286759196 LRNVTLONAQMFHE-UHFFFAOYSA-N 430.581 4.558 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC)CC1 1286824913 CHWBNPAKRNVLLG-UHFFFAOYSA-N 438.439 4.592 30 10 IJEE C=CC1(CC(=O)Nc2ccc(CN3CCCCCC3)cc2)CN(C(=O)OC(C)(C)C)C1 1292394322 HKTKFPSDIKDUSM-UHFFFAOYSA-N 427.589 4.814 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)cc1 1298075159 ALSVQJWMDJZHCO-UHFFFAOYSA-N 449.894 4.802 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)C(C)(C)C 1298740924 DUZACLYKSJEIDX-HSZRJFAPSA-N 440.609 4.916 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCC[C@H]1C 1300286887 PBQQVUGJMGGFLG-IAGOWNOFSA-N 434.415 4.974 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1300371722 VXMQEBVBEBBLPR-UHFFFAOYSA-N 449.599 4.944 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1300421532 JQJPJGFTDWIUEC-UGKGYDQZSA-N 447.410 4.907 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(=C)Cl 1300654664 CKQNGCMUHBCJKA-UHFFFAOYSA-N 430.936 4.651 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)CC(C)(C)C1 1300745875 ODCNORJEBYVHOQ-MRXNPFEDSA-N 433.021 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC2(C1)OCCO2 1300905615 BRNQOCDHURVURU-KRWDZBQOSA-N 446.979 4.553 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(Br)s1 1300939410 VMMAGURHQGAVDD-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1301041779 NRXIYYDLLLJECS-HXUWFJFHSA-N 445.007 4.912 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ncc(CC)s2)CC1 1301135214 VSTAVISKSVZDQT-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)C 1301149030 VISWZQDPLDEGBW-UHFFFAOYSA-N 425.625 4.537 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1301182636 KHAFCWBIYQGHEP-OAQYLSRUSA-N 437.636 4.572 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1301196699 IAKVPRRJMKJXKW-OAQYLSRUSA-N 446.555 4.632 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1301198852 SDIFRDVJSGHMDE-UHFFFAOYSA-N 448.036 4.639 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1301227942 YBDRATLCEBPWPY-HXUWFJFHSA-N 430.524 4.753 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1301260079 VVTHWWGKGOAPBS-QKNQBKEWSA-N 428.552 4.604 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1301313732 GHZMNRIHARGJNZ-WOJBJXKFSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1nccc(C(F)F)n1 1301347371 VKDZLAVMSKZLTJ-UHFFFAOYSA-N 447.493 4.617 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCOc1cc(C)cc(C)c1 1301362790 JYRRBRLYRJCNIP-FQEVSTJZSA-N 438.597 4.732 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2nc(C(C)(C)C)cs2)C1 1301553014 CCKOPALNYIAQSA-MRXNPFEDSA-N 441.576 4.668 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1Cl 1302323996 CSNINWOBSNTIHF-LYHRCORUSA-N 445.970 4.535 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC(C)(C)COC 1305554854 HONRHMHSEUKUGC-SIKLNZKXSA-N 439.604 4.694 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)Cc1cccc(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1309334724 NTFNXZUVZJVOMQ-LJQANCHMSA-N 441.471 4.619 30 10 IJEE O=S(=O)(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1C[C@@H]1c1cccc(F)c1 1309393145 DPPXNHQYRGFWCI-VNQPRFMTSA-N 441.368 4.923 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 1310351858 IRPACHUWTNUBSF-UHFFFAOYSA-N 428.398 4.863 30 10 IJEE CO[C@@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1)C(C)C 1315194201 FCYABLNIBSLKBL-PXNSSMCTSA-N 441.645 4.932 30 10 IJEE Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ncc(C#N)cc1Cl 1352092080 GJAWTUDQHNGXTB-OAQYLSRUSA-N 430.895 4.515 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 1353816946 CKEJKVUOJQMQOH-UHFFFAOYSA-N 445.471 4.682 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC(C)C)C2CC2)c1 1353945309 JWMJJWHHUJXXHH-UHFFFAOYSA-N 447.000 4.982 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1C(F)(F)F 1358424073 GGJKYJCCXQELDG-QGZVFWFLSA-N 437.393 4.921 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cnn(C)c1C 1358906894 XAJSRJSUNDAMOK-UHFFFAOYSA-N 436.629 4.757 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1359050836 DWCQLHIIQUFWSH-CRAIPNDOSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C(C)C 1359074488 GGQJBJWNKWVKSV-JOCHJYFZSA-N 432.037 4.556 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1359079200 AQIKVJBMUFHYIT-KRWDZBQOSA-N 429.318 4.802 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCOCC1 1359196771 SGSOSSJCDDBZAH-UHFFFAOYSA-N 449.599 4.526 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(Oc2ncccc2F)CC1 1359205248 RBVOXNQKPQSGJF-UHFFFAOYSA-N 427.568 4.949 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCCNc1ccccn1 1359255326 UVTDZZVUHKZTHU-UHFFFAOYSA-N 429.572 4.537 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@](C)(O)c1ccco1 1359262118 IEKKRSFBBUNBTA-QHCPKHFHSA-N 438.528 4.839 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)CC)n1Cc1ccc(I)cc1 1359266442 AOCNUVMTZZWMCY-HNNXBMFYSA-N 436.341 4.623 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359344818 JSXIMQPSEWAXJJ-CRAIPNDOSA-N 449.546 4.904 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc2c1OC(F)(F)O2 1360643804 BESHKYMZLNMLHN-UHFFFAOYSA-N 428.204 4.738 30 10 IJEE C#CCOc1cccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 1435133659 JSMNTEJRKWZIJN-UHFFFAOYSA-N 425.463 4.872 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1450829957 BLUVTYISRKAIOU-CQSZACIVSA-N 428.451 4.768 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)C4CCC4)cc3)c2C#N)C1 1460469606 GKONKPIHBCMVNU-INIZCTEOSA-N 442.606 4.959 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(OCC)c(Br)c1 1463558114 FVRBJHDSYCDANC-UHFFFAOYSA-N 440.359 4.546 30 10 IJEE C#CCOc1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OCC)cc1 1465094684 QMBCIOVASHJMAZ-OAQYLSRUSA-N 438.524 4.692 30 10 IJEE C[C@H](NC(=O)CCc1ccccc1N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1466800723 GULGCNWFXQVQEH-NRFANRHFSA-N 439.559 4.872 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 1467149100 DIAYHJMKMHVONJ-GOSISDBHSA-N 445.336 4.867 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C)C(C)C 1467586936 DWLHYYUILYTKSS-DNQXCXABSA-N 432.564 4.714 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 1468106590 VCTIUSZSSAPURJ-RDJZCZTQSA-N 445.357 4.768 30 10 IJEE C[C@H](CO)n1c(C(F)(F)F)nc2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)ccc21 1468180842 FDIZWLATRPUAHH-CYBMUJFWSA-N 430.430 4.662 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 1468454348 IIQAOGKEUVLIDX-PXNSSMCTSA-N 435.406 4.931 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 1471020138 NTLVPMDXMMAIKT-OAQYLSRUSA-N 445.604 4.991 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CCC(F)(F)C1)[C@@H]1CCOc2ccc(Br)cc21 1471554361 LPYWJAIYDZTCBB-WMLDXEAASA-N 441.316 4.743 30 10 IJEE C=CCn1c(Sc2nc(Cl)nc3[nH]c(O)nc23)nnc1-c1ccc(C(C)(C)C)cc1 1472647237 ABNFFYDNRLCLAD-UHFFFAOYSA-N 441.948 4.605 30 10 IJEE CCOc1ccc(-n2c(Cc3ccccc3)nnc2Sc2cc(C#N)nc(CC)n2)cc1 1472647284 CRWRYKCENVOLCM-UHFFFAOYSA-N 442.548 4.632 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCc2ccc(-c3ccccc3)cc2)n1 1476401110 HSMVEHBYQYWTTG-UHFFFAOYSA-N 425.467 4.914 30 10 IJEE C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H](C)CN1Cc1ccccc1 1476697627 CWRMTNUNBXWBCJ-WOJBJXKFSA-N 441.535 4.872 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1Cl 1477916299 VXFLWYMDHNVPME-XMMPIXPASA-N 434.923 4.949 30 10 IJEE C#CCN(C(=O)N[C@H](CC1CC1)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1477932298 VRUQURWWYWRETD-JOCHJYFZSA-N 425.573 4.572 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1478054336 SITLXJAEBICZJT-VQTJNVASSA-N 429.511 4.743 30 10 IJEE C=CCN(C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)[C@@H](C)COC 1478157357 BSMHVZLVMWHCTE-KBPBESRZSA-N 438.391 4.866 30 10 IJEE Cc1nc(CCn2c(CC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)cs1 1492689794 DELFJSIWMAJIDG-UHFFFAOYSA-N 432.597 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1507520022 MDMVHJSGTCOCNS-NUANOYTQSA-N 444.627 4.770 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCN1CCC 1507618210 JPESIVABAGLSFZ-QFIPXVFZSA-N 437.632 4.623 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOc1ccccc1 1507644510 JKULZKUPHXIBTR-UHFFFAOYSA-N 444.604 4.817 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1nc(C)cs1 1507679019 FWMYRUTYUYMSMF-NVXWUHKLSA-N 427.549 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCSC1 1507772021 KMRIFTXRNMGCCG-IIBYNOLFSA-N 433.046 4.969 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1507820410 CQFOHPOFXLZZEC-QHCPKHFHSA-N 439.648 4.651 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1507830502 CJUIGHKVQCRTJZ-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE C=C(C)COCCn1c(N2CC(C)(C)OC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1507848789 SCGFXDBZVHDTRR-UHFFFAOYSA-N 438.616 4.735 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)C[C@H]1C 1507925462 CXOBBBVIDLXWAO-OAHLLOKOSA-N 436.387 4.665 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]2c2csc(C)n2)nnc1[C@@]1(OC(C)C)CCOC1 1507936600 DMGDMAIUMPEYDP-NFBKMPQASA-N 445.633 4.781 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1cc(COC(C)(C)C)on1 1508004370 LZXRFUVFVMNYSX-UHFFFAOYSA-N 446.555 4.817 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1508007475 CACPODRKVXAASW-BKMJKUGQSA-N 449.574 4.943 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@H](O)C1 1508033778 OPKURJJNKSUNBS-GGAORHGYSA-N 434.584 4.557 30 10 IJEE C=CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccc(OCC)cc1 1508068254 WLMXMJBPYGJZCX-KBXCAEBGSA-N 430.459 4.523 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2ccc(F)cc2)C1 1508113822 AYVUGTBJOKDGAZ-JXFKEZNVSA-N 441.938 4.718 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCOc2ccc(F)c(Cl)c2)C1 1508129814 FJIYKZKHIGKHSW-LJQANCHMSA-N 448.970 4.664 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccsc1Br 1508575092 AIFAHXDDGPKWBD-IBGZPJMESA-N 436.423 4.869 30 10 IJEE CCc1cnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@](C)(C#N)C2)s1 1513714129 BSNAGXHDPFARAJ-OAQYLSRUSA-N 444.967 4.935 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1513982783 AEUGWWBCBZXUSQ-VMIIQTFKSA-N 434.632 4.810 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)Oc2ccccc2Br)cc1OC 1514990965 YOMBWRRQTSFYFT-YBHKSSGVSA-N 446.341 4.619 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCc1cccc(C)n1)C1CCCC1 1515442118 BXCRNOWEWQIJNF-UHFFFAOYSA-N 444.583 4.834 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)c3ccccc3OCC#N)c2C(=O)OC(C)(C)C)[C@H](C)O1 1517267974 AOMSXIVPYZENFR-KBPBESRZSA-N 442.537 4.880 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C(=O)OC)ccc1Cl 1520236402 KDJQVZXMABESQY-UHFFFAOYSA-N 440.696 4.857 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 1523570720 GLMCOAKJLCMCMW-LJQANCHMSA-N 437.565 4.839 30 10 IJEE C=CCC1(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CCCCC1 1526049318 OGDYHESSTMGQLN-UHFFFAOYSA-N 426.582 4.829 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1526964933 ZKYKFLHBSGOPQT-HSZRJFAPSA-N 448.588 4.851 30 10 IJEE Cc1ccc(C2(CNC(=O)COc3ccc(C#N)c(Br)c3)CCCC2)c(C)c1 1527030886 BHBUJLZGYKTSEW-UHFFFAOYSA-N 441.369 4.945 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)c1 1529833287 TURRWTFCOLHSIX-KDURUIRLSA-N 442.581 4.560 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CC2(C)C)ccc1Cl 1530098334 NNIDVTDMIBLWLN-SFHVURJKSA-N 447.000 4.839 30 10 IJEE C#CCN(C(=O)Cc1cccc(C)c1Cl)[C@@H]1CCOc2ccc(Br)cc21 1531554609 XERWRSUVQPZRQH-GOSISDBHSA-N 432.745 4.939 30 10 IJEE C#CCN(C(=O)c1sc(-c2ccc(C)cc2Br)nc1C)c1nccs1 1532080792 RYTJVCZQGGDMKR-UHFFFAOYSA-N 432.368 4.926 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3ocnc3C)cc2)nnc1-c1ccco1 1535465340 ZUGAWJPJEIHVBX-UHFFFAOYSA-N 435.509 4.808 30 10 IJEE C=CCc1cc(C(=O)NCC2(N(C)Cc3ccccc3)CCCCC2)cc(OC)c1OC 1537526679 OFDAPDMAQPIYOR-UHFFFAOYSA-N 436.596 4.997 30 10 IJEE C=CC[C@]1(C(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CCCN1C(=O)OC(C)(C)C 1538465926 HIEUWKPPJSZMMJ-CUVVAGTFSA-N 440.584 4.933 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)c(F)c1 1538982023 AVTYEQQKJYMDJX-HOTGVXAUSA-N 438.572 4.785 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1539052697 RKTYBSQEXJKHSG-GHTZIAJQSA-N 428.367 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cc(F)c(F)c1F 1539546238 CRMGXLITONDNDN-OAQYLSRUSA-N 449.839 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1cccs1 1539624158 QMUSBUWBVIXHPF-IRLDBZIGSA-N 433.581 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1539651516 HRHPQXLKRSTSSM-CVDCTZTESA-N 442.604 4.816 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1539696656 UUVHCNCRWXHLFT-INIZCTEOSA-N 428.993 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@H]1CC 1539917392 CROYONBTLJJQMC-RTBURBONSA-N 448.615 4.902 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCc2cc(Br)ccc2C1 1539928499 CBPIWGNQNLAGAG-UHFFFAOYSA-N 433.394 4.742 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1539974145 LJQCITQWXPQTCV-GOSISDBHSA-N 428.531 4.972 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)c1ccccc1F 1540052177 ZYBHMGGWEKPUPP-UHFFFAOYSA-N 446.368 4.785 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 1540095823 WTOZSXRYLXSLOE-FXAWDEMLSA-N 443.389 4.844 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1540114641 NVJJGOYDLPWBRN-HXUWFJFHSA-N 429.609 4.565 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1Cc1c(CC)noc1C 1540138011 YEJVQCRUIXDRRP-UHFFFAOYSA-N 446.530 4.887 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1540171993 MAEVSIOSIJVMDD-XUZZJYLKSA-N 448.640 4.587 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCC(C(F)(F)F)CC2)C1 1540890834 KUPOSKLUNFATRW-BTRQGYIVSA-N 442.526 4.670 30 10 IJEE C=C(C)[C@H](NC(=O)/C=C/c1cc(Br)c(O)c(OC)c1)c1ccc(F)c(F)c1 1556261461 KUROOHAIDJCHNI-QTWIXLPOSA-N 438.268 4.888 30 10 IJEE Cc1cc(Cl)cc(C#N)c1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 1559427210 FGDNOXDKAUDQKY-QGZVFWFLSA-N 425.897 4.931 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@](CC)(CO)C3)c2C#N)C1 1559776813 ARCAVWASLCXRRO-OSPHWJPCSA-N 431.646 4.584 30 10 IJEE C=CCc1cc(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc(OC)c1OC 1560322315 ZTDNBJIEMRDBHE-UHFFFAOYSA-N 445.485 4.986 30 10 IJEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)C1 1564126227 FJMOYCRUCHBELJ-KRWDZBQOSA-N 432.351 4.683 30 10 IJEE C#C[C@H](NC(=O)N(CCc1ccccn1)Cc1ccc(OC)cc1)c1ccc(Cl)cc1 1564997251 HALMTDZPYSIIHD-DEOSSOPVSA-N 433.939 4.872 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2ccc(Br)cc2)ns1 1566160961 NIZOBJLVUMVXFD-UHFFFAOYSA-N 431.286 4.976 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)CN2CSCCSC2)cc1 1570409706 CNZYKPYFVUQUSQ-UHFFFAOYSA-N 436.027 4.998 30 10 IJEE C=CCCC[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1ccccc1 1583543400 LBZJHWARIXBFMK-MRXNPFEDSA-N 435.387 4.796 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)c1ccc(Cl)cc1F 1583584897 GPFAEPFVSPNMDL-QHCPKHFHSA-N 434.898 4.822 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 1584124565 HFHDGGUFUWLIQK-UHFFFAOYSA-N 426.582 4.912 30 10 IJEE CN(C)CCOc1ccc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 1585055140 HBZIBCTVUQOKRT-UHFFFAOYSA-N 449.938 4.874 30 10 IJEE CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccccc2Oc2ccccc2C#N)c1 1587332848 AWGBTSFEESMUNT-UHFFFAOYSA-N 441.892 4.764 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1587817696 DBROCIZQAMSHIX-UHFFFAOYSA-N 445.558 4.517 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1(C2CC2)CCC1 1588446148 ZZVZBVKZKZIXSF-UHFFFAOYSA-N 443.389 4.659 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OCC(F)(F)F 1589615469 QRJOYYYSXRPVHZ-UHFFFAOYSA-N 435.450 4.633 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1593654718 GLYJRGMYKRUWLO-OAHLLOKOSA-N 436.006 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCOc1cccc(C)c1 1595148954 DFTDCFDQZTZWNK-UHFFFAOYSA-N 433.581 4.925 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)cc1OC 1595161681 IBLURFQFTDAEMZ-QGZVFWFLSA-N 444.988 4.746 30 10 IJEE O=C1/C(=C\c2cccs2)S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 1615304804 VPRYJTJDMSYDIH-FCKSWFEOSA-N 438.490 4.756 30 10 IJEE COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C[C@@H](O)COc2ccc(CC#N)cc2)c1 1616558536 APXHCGCNMUUQOB-RYRVMRHHSA-N 442.559 4.732 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)N(CC=C)CC=C)cc1)c1ccc(Cl)cc1F 1622964539 GVGVKOHGSLAGQB-OAQYLSRUSA-N 425.891 4.789 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)cc2n1 1627664039 CBRSAKSZGRXZHP-FQEVSTJZSA-N 431.462 4.666 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(OC)[C@H](C)c2ccccc2C)nnc1-c1ccco1 1629012665 SQTJYBIMEMJCFO-QGZVFWFLSA-N 426.542 4.666 30 10 IJEE C=CCCCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1629637686 ONDUQIIMKCGYSD-UHFFFAOYSA-N 436.961 4.665 30 10 IJEE C=CCCCCCCNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 1635113712 LUEWXPOENLMQBT-MRXNPFEDSA-N 437.300 4.937 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)[C@H]1CCCc2ccccc21 1635885581 WIVNPPKEEYNUIV-DHLKQENFSA-N 429.564 4.778 30 10 IJEE C=CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)OCC 1638326706 WAQFSZAXDUTQOJ-QGZVFWFLSA-N 434.901 4.637 30 10 IJEE C[C@H](NC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F)[C@H](C)c1ccccc1C(F)(F)F 1638491019 CUQPPZNNXBOXBF-OAVHHTNSSA-N 436.371 4.869 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)C1 1640186437 JQFYCKKPVHPNLU-FQEVSTJZSA-N 444.556 4.640 30 10 IJEE CC(C)CC[C@H]1CCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1642162598 HKKYXDFHDKYPOI-RTWAWAEBSA-N 440.632 4.647 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1644392480 WBXMWFGGZCQIOO-KRWDZBQOSA-N 431.001 4.900 30 10 IJEE C=CCN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1645291226 WKEJJKSCOAYFQK-HSZRJFAPSA-N 444.616 4.686 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H]1CCCN(c2ccc(C)cc2)C1=O 1651889437 KRQAQXGMDIZNEN-QFIPXVFZSA-N 448.592 4.948 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(F)c2)nc2sc(C)c(C)c2c1=O 1652447743 SNLHALCPWHHZIO-UHFFFAOYSA-N 437.949 4.784 30 10 IJEE C=CCO[C@@H]1CCN(Cc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)C1 1652993653 IZEYEKIGEOGQFJ-XMMPIXPASA-N 435.593 4.616 30 10 IJEE COc1cc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)ccc1OCCC(C)C 1653055355 GLMKPSDPVNZKMD-MRXNPFEDSA-N 429.948 4.934 30 10 IJEE CC(C)Sc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 1654096863 FEAQEGZPYIRWAR-ZDUSSCGKSA-N 439.400 4.861 30 10 IJEE C=CC[C@H]1CCCN(CC(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)C1 1655009834 FPYGISIHICZFCL-RDPSFJRHSA-N 431.580 4.713 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CC[C@H](c4c(F)cccc4F)C3)c2C#N)C1 1655547954 DIRMQZFGEKKQKA-CABCVRRESA-N 429.536 4.841 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2cc(Br)ccc2OC)cc1 1657135601 RCJCYSLLSINZJM-FQEVSTJZSA-N 427.342 4.605 30 10 IJEE CC(C)OC(=O)[C@H](C)CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1662958607 BGGSLKAEVBFBTA-SNVBAGLBSA-N 432.336 4.685 30 10 IJEE C=CC(C)(C)CCNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1663300164 LRFALRPVLTUKIT-XZOQPEGZSA-N 447.044 4.830 30 10 IJEE CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccc(Br)c1C#N 1666675963 HBJLTBKSRPAMFF-CYBMUJFWSA-N 433.327 4.839 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1cccnc1N1CCCC1 1666756551 CQBAXBQEOFXROD-UHFFFAOYSA-N 441.535 4.763 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 1671797458 AZAXIMYOWRRAIT-CIQXWFTPSA-N 449.599 4.835 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)cc(OC)c1OC 1678871113 QZVNNLJGARZBEV-UHFFFAOYSA-N 442.466 4.877 30 10 IJEE C#CC[C@H](NC(=O)NCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 1679190876 NKGGPQKLNYSAQC-GOTSBHOMSA-N 435.568 4.576 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)CC2)c(Cl)c1 1682638028 HUWDJEABIYKFMM-NRFANRHFSA-N 447.341 4.987 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)c1ccccn1 1690002015 XGOZYPDODKYMQP-IBGZPJMESA-N 447.970 4.517 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCCSC 1690035020 ZCFJBOADYJXDDZ-UHFFFAOYSA-N 431.609 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CC1(CCOC)CCCC1 1690037266 SBLSRAPWEIIPGN-UHFFFAOYSA-N 430.552 4.751 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCCC1 1690161562 JTCUPBYBTRBMGR-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC1COC(C)(C)OC1 1690328543 MGHCHRCCRMPXHT-GOSISDBHSA-N 448.995 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 1690439460 GPUXEDKRQMWNRP-UHFFFAOYSA-N 442.579 4.996 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1690444732 LFMWTMXKFQSWAB-RUZDIDTESA-N 444.627 4.544 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1690472129 FOLXFFQHPZUMQQ-UYAOXDASSA-N 428.552 4.776 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCOc1ncccc1Cl 1690563419 QNSQUCOLSLDRGL-UHFFFAOYSA-N 448.958 4.604 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)nc1 1690563496 TXRNVTIPOGPRNG-UHFFFAOYSA-N 430.943 4.938 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690579634 PYGTXMQSQLZBLP-RXVVDRJESA-N 432.634 4.910 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1nccs1 1690613535 KXHBYCZHEBDPFA-UHFFFAOYSA-N 425.602 4.581 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)CC(C)(C)C1 1690735937 NDHBGYSCJQKICG-AWEZNQCLSA-N 438.439 4.827 30 10 IJEE CCC(CC)(Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1)SC 1694265867 AULKWBHPEJVOHO-QFIPXVFZSA-N 438.576 4.857 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(OC)C2)CCCC1 1694484800 DPLBUWNFOJKDJA-XMMPIXPASA-N 437.588 4.704 30 10 IJEE CCC[C@@H]1C[C@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1695491950 CJINVQVMSOMTGN-NRAIQUKZSA-N 442.608 4.841 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC(O)(CCC)CCC 1705677600 VJXIWVWOGVRDCC-RUZDIDTESA-N 438.616 4.797 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(Cc1cccc(F)c1)C(C)C 1705704621 XIFBYEOAYOBONO-REWPJTCUSA-N 437.563 4.819 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705749795 IEQDKVJVFHYTQN-UHFFFAOYSA-N 448.958 4.530 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705786156 HOUNVRBEAUQVTC-PKTZIBPZSA-N 448.615 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1705792842 CUVZUFUTYLQJLU-UHFFFAOYSA-N 426.568 4.907 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN(C(C)C)C1 1705861552 ILNTYJRCXYKIGK-ZEQRLZLVSA-N 437.632 4.833 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1705913962 CIYXOPOXLXGMPR-PKOBYXMFSA-N 436.478 4.521 30 10 IJEE C[C@H]1CCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 1708039961 AWUCSUXEKNFWGA-DZGCQCFKSA-N 434.407 4.945 30 10 IJEE CC[C@H](Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C)N1CCCC1 1708811925 DFLTXCVIIBEAET-HSZRJFAPSA-N 432.616 4.615 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC=C(Br)C1 1722309356 XKSHFEMFOKFMHK-INIZCTEOSA-N 447.352 4.850 30 10 IJEE C#CCCCCn1c(N2CCO[C@@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C 1722323623 VQFSWUDQIVGNFW-LJQANCHMSA-N 445.405 4.720 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1C(C)C 1722338300 MWIPCNQUFFWJMV-LJQANCHMSA-N 431.378 4.658 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)CCOCc1ccccc1 1722487037 JDDZMGJGSKXCGM-UHFFFAOYSA-N 433.394 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722511981 SNJKDGDGAUCAMW-ACDBMABISA-N 442.604 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCSCCCO)CC1 1722560747 FDYQXQSGKPTFQX-UHFFFAOYSA-N 432.659 4.548 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC[C@@H](C)N2CCCCC2)CC1 1722569496 BYDYOHPXFRCEAP-JOCHJYFZSA-N 437.632 4.840 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1722576586 QDQPFBHJXASBNT-UHFFFAOYSA-N 438.457 4.681 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@@H]1OC)C1CC1 1722645451 MZFDUUTVGOTDQM-LIRRHRJNSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCCn1nc(C)cc1C 1722654571 QLWDLCXJWVANEC-UHFFFAOYSA-N 431.588 4.544 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722656462 VQDJPTMQRNHCBP-NRFANRHFSA-N 439.604 4.994 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCO[C@@H]1C(C)C 1722677740 MMIHCTQBMAHQGD-ZJSXRUAMSA-N 449.599 4.583 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1740580639 FCXHUUHNNLNFSU-QFBILLFUSA-N 431.378 4.545 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCCOC1CCCC1 1740664880 HFTKPCIIYKKIEB-UHFFFAOYSA-N 437.407 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(C)(C)C1CC1 1740723747 SBSBZYOBDXYBAJ-AREMUKBSSA-N 433.600 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1740777263 SLDWHRYQAZAVBT-NRFANRHFSA-N 441.645 4.540 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2CCOCC2)CC1 1740828530 NYYOUHHVPFLWOX-UHFFFAOYSA-N 445.007 4.835 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCSCC(F)(F)F)CC1 1740829898 OKBTXQXCUASJLM-HZPDHXFCSA-N 432.556 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1740848484 KVVUQTMNNHZJJC-UHFFFAOYSA-N 442.696 4.533 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740868588 NVCBDIOLOBCEJA-WMZOPIPTSA-N 440.523 4.599 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1cnn(CC(C)C)c1C 1740892907 PXXDUWJNOHJBFW-UHFFFAOYSA-N 443.393 4.539 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H]1CCO[C@H](C)C1 1740894068 HRVBYTYNLLSCGO-ZIAGYGMSSA-N 425.396 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCN(CC(C)C)C1 1740897621 OSZCPZYDSHARTL-FQEVSTJZSA-N 434.588 4.590 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC(C)C)CC1 1740898105 FFOVUNZFNUZYDL-IBGZPJMESA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(-c2cccc3cccnc23)n1CC[C@@H](OC)C(F)(F)F)C1CC1 1740909104 XUUCQSXBGIJJIF-GOSISDBHSA-N 431.462 4.616 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740944518 NEEWBUUCACNJCS-BEIWTESXSA-N 440.638 4.691 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740944965 UUFNPUHUYSRVAX-LBPRGKRZSA-N 434.293 4.511 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCC)C1 1740975493 VNBWGXDEITYIAW-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCC2)C1 1747482224 DLPGIKZMEZIRHQ-SFTDATJTSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1748640528 WINOOFDXTHQFLX-AABGKKOBSA-N 441.595 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1748674659 VEMVWGCXWVLSOR-LRXVAGHRSA-N 429.008 4.822 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)CC1 1748713091 OMCQECQLSBKOAB-FQEVSTJZSA-N 446.599 4.666 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccccc1 1748735414 SNVXJAIBMHWKPO-LJQANCHMSA-N 438.373 4.801 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1sc(C)nc1C 1748833190 LHXIHJUHBKWXFX-MRXNPFEDSA-N 449.649 4.520 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H](C)CN1CCCC1 1748946997 WNOANWXHWQWBIX-OAQYLSRUSA-N 437.607 4.522 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cscc1C 1748949508 CCXQWNMWMZHHSS-QGZVFWFLSA-N 444.988 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC=C(COC)CC1 1749123843 IECVSDUUJLXOET-UTKZUKDTSA-N 446.954 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)C[C@@H]1CCCO1 1749123971 KCANLAJTVAYRKU-MDKPJZGXSA-N 448.970 4.724 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1Cc1cccs1 1749232139 DHXPBRANBLWHHT-FQEVSTJZSA-N 440.588 4.874 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@](C)(OC)C2CC2)CC1 1749331294 XAGJRJXJGXQCRH-QHCPKHFHSA-N 432.515 4.764 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2ccccn2)CC1 1749335151 PNRCOVBYLJCQSI-UHFFFAOYSA-N 447.583 4.781 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2oc(CCC)nc2C)CC1 1749345327 CRMBJURFRLTOKL-UHFFFAOYSA-N 449.599 4.772 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](CCC)C1 1749447616 IZFOLMDJPRXNSE-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1749558389 UIZCZWMUBHNIHB-XPWALMASSA-N 443.680 4.743 30 10 IJEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1 1749683715 DKJQWCACMGYAPA-UHFFFAOYSA-N 449.502 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2C)CCOCC1 1760107080 QTXZOYLSAQBLAF-IBGZPJMESA-N 449.986 4.508 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCN1C1CC1 1760122691 QGTNROHJPPVUMC-GMAHTHKFSA-N 449.643 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1760318238 MVZZLCHLGBTVLI-NNWRFLSQSA-N 442.629 4.657 30 10 IJEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)C(F)(F)F)CC1 1760400540 FLAVLWOFOGBSJP-UHFFFAOYSA-N 446.477 4.585 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1760472194 YQXGYBCHZDRCQO-UHFFFAOYSA-N 439.560 4.569 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1760488803 GAYFTHGAMRXWEI-PPJWLVRDSA-N 436.600 4.727 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CCc1ccccc1Cl 1760500071 CDHJIUVEMZLTJS-OAQYLSRUSA-N 426.948 4.854 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@@H](F)C1 1760688359 GPSMIEGFVIGWFU-MGPQQGTHSA-N 438.320 4.581 30 10 IJEE COc1ccc(N=C(NN=Cc2ccc(OC)c(OC)c2)c2ccc3ccccc3n2)cc1 1772742234 WZRNUZBDWFQRCH-UHFFFAOYSA-N 440.503 4.963 30 10 IJEE CCCCOc1ccc(/C=C2/SC(=Nc3ccccc3C(=O)O)N(C)C2=O)cc1OC 1772762154 BQNQASXPNFVWQC-ZOAXWHFDSA-N 440.521 4.806 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862417693 XPLAZYUTEMGLSU-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc([N+](=O)[O-])c1 1862459645 MFVRFRDVKDQGMX-LJQANCHMSA-N 448.397 4.781 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 1862756696 QHDNGNHDPNVMKD-LJQANCHMSA-N 444.846 4.908 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C(C)C)cc1 1862760109 HAEXHSGGLSBEAM-NRFANRHFSA-N 438.480 4.760 30 10 IJEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)c1C 1862939052 UCQKNSQHBYOQNA-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CSCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1cccc(C#N)c1 1867002249 YPNIDQXBHVGDTP-LEWJYISDSA-N 441.984 4.582 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)/C=C/c1cccc(Cl)c1 1870143177 AQBGDRVUHIBECA-VMPITWQZSA-N 442.704 4.515 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1cc(C)cc(C)c1 1870972094 JTIVHUGLRKGMIA-UHFFFAOYSA-N 441.616 4.953 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(-c4ccccc4)cc1)C3=O)CN(CCCO)CO2 1871353620 WAGQUYDOVCXELG-OYKKKHCWSA-N 427.500 4.813 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)c1 1871371623 AEPGLUFFRQUGRQ-QRVIBDJDSA-N 448.446 4.916 30 10 IJEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871395726 GJYFDOZKFIFRJO-HMAPJEAMSA-N 425.525 4.956 30 10 IJEE COc1ccc(OCCCOc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871415561 IUOMOJXPWMTKJR-QFEZKATASA-N 446.455 4.888 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871806585 YNTGISSFQAQLGQ-SFHVURJKSA-N 434.524 4.677 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871987124 AMSIZBQSCRMQLK-QFIPXVFZSA-N 446.638 4.549 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCCCC)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872185129 VDINLUKAQQCKOK-UGKGYDQZSA-N 438.634 4.837 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C)S(=O)(=O)c1ccccc1 1872354746 RACOLHNZQQYBBD-IBGZPJMESA-N 440.487 4.545 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872471522 UUWWALHCAYYNAH-JOCHJYFZSA-N 428.598 4.850 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCCCN(CC)CC)ncnc21 1873625905 CUFLSSMRYJQZLM-UHFFFAOYSA-N 434.588 4.630 30 10 IJEE CCCCCCCCNC(=O)CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 1873891395 ARVHIXUDHGYXFI-UHFFFAOYSA-N 431.552 4.930 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1/N=C/c1cccc(OC)c1OCC 1874385874 MWQCWFAOQVKOTN-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cn(C)c2ccccc12 1874441266 PNJBDCBCQYYKPI-WYMPLXKRSA-N 441.601 4.532 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874445874 NFJRYUSNFUWWOY-VMHRPQTGSA-N 437.525 4.829 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874506885 ABWVBIUFQUMMOT-CVKSISIWSA-N 446.580 4.887 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCc3nc(O)c4ccccc4n3)c2)c(OC)c1 1874598754 CMUFLFTULWOSCE-JLHYYAGUSA-N 442.471 4.828 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 1875176220 CDEWHMZYSZXMAR-XYOKQWHBSA-N 433.416 4.727 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccccc3)ncnc2n1Cc1ccccc1 1875217291 MMWDQEKWXOJPQA-UHFFFAOYSA-N 437.547 4.906 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 1912176399 YSVWLDNPGYRXGN-UHFFFAOYSA-N 436.557 4.901 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](O)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C 1922058620 YXAYLKKDULKPFM-NVQXNPDNSA-N 448.648 4.772 30 10 IJEE C=C(COCc1ccccc1)[C@H](CC[C@]1(NC(=O)OC(C)(C)C)CCOC1)NCCC 1922094949 PQOMGCFLELSEQR-DHLKQENFSA-N 432.605 4.592 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1976223126 PGKAFRZSHLOOSQ-ZFWWWQNUSA-N 447.167 4.552 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NC 2041173448 CCEOUQIXYFEHAB-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCC(F)(F)C[C@H]1OCc1ccccc1 2043829276 VLZMQSUCKBPATM-USZFVNFHSA-N 445.550 4.873 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048504309 VDDXBEWTYNEKTK-IAGOWNOFSA-N 430.770 4.621 30 10 IJEE CC[C@H](c1ccc(C)c(F)c1F)n1nc(C2CC2)c(C=NO)c1I 2079897382 XEBNXDVWZMZNFD-CYBMUJFWSA-N 445.251 4.759 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2082128754 CQXZYKOTWGASRN-DUOVIKOCSA-N 446.632 4.572 30 10 IJEE C=CCC1(Nc2cc(Br)nc(C(C)(C)C)n2)CN(C(=O)OC(C)(C)C)C1 2106116501 RFCZNXXYRJDAJD-UHFFFAOYSA-N 425.371 4.514 30 10 IJEE C[C@@H]1C[C@@H](C)N(c2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2118155886 DQFYOZTVYCZFQB-CHWSQXEVSA-N 426.330 4.684 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(OCCNc2cc(Br)ccc2C#N)CC1 2162415645 PQMZMCREDWQTTH-UHFFFAOYSA-N 438.366 4.585 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181100804 MVDCMQSIBVVBCD-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CN(Cc1ccc(C(=O)Nc2ccc(C#N)cc2Br)o1)C(=O)OC(C)(C)C 2181144984 ADDQPHZZFZAFOL-UHFFFAOYSA-N 434.290 4.533 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1N(c2ccc(C#N)c(Br)c2F)CCCC1(C)C 2184380900 MEBFEIDEMVMSBV-HNNXBMFYSA-N 440.357 4.980 30 10 IJEE C=CCC1([C@H](NCC)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2207380502 ZMJXIWIKODXTGC-GOSISDBHSA-N 439.394 4.922 30 10 IJEE C=C([C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221673238 NFUTYZHWTNTMHM-SJORKVTESA-N 428.443 4.679 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 2235727538 PQCMIOCEZPGKPA-MOPGFXCFSA-N 449.414 4.586 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)C#Cc3ccccc3Br)cc21 2235730927 PPEFZFJKEUOBHX-UHFFFAOYSA-N 426.310 4.981 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@@H](N)C#Cc1ccccc1Br 2235745980 GRJZVJWJIZWQFQ-UGKGYDQZSA-N 435.406 4.992 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)NCc2ccccc2OCc2ccccc2)OC1(C)C 2267278106 YKWCDZCWVYUWBE-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC1(C)OB(c2cccnc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2267592838 GSSDWCPETXLYJX-UHFFFAOYSA-N 434.389 4.604 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](N)C#Cc1ccc(Br)cc1 2278815768 KAFSPHGOIIZKSU-DLBZAZTESA-N 441.435 4.553 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)cc2Br)[C@H](C(F)(F)F)C1 2281039306 BAKLUIYJMFBFAT-WFASDCNBSA-N 448.283 4.745 30 10 IJEE C=CCCC1([C@H](O)Cc2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281057068 YBNWQDPSGQOKOM-MRXNPFEDSA-N 446.332 4.834 30 10 IJEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282714659 VGXLLYODJILKBO-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2296221613 KEEMFIKEUNAZOO-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2cccc(Br)c2)c2ccccc21 2296230219 RBPCUJIZRWESGK-QUCCMNQESA-N 428.326 4.700 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296276607 JWMICAPUYOOPTD-AFYVEPGGSA-N 433.390 4.696 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](O)(C#Cc2ccc(Br)cc2)C[C@@H]1C1CCC1 2296286900 PXUJEKKBZRFXPM-DENIHFKCSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2296289118 OEKMFUZAPAKXBE-HXUWFJFHSA-N 429.358 4.786 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4OC)ccc3C2=O)c1 2296776311 HDJCACBKSRKRSB-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCOc1ccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2296923566 XEXNBSOFTGWSII-XMMPIXPASA-N 442.515 4.801 30 10 IJEE CCC(CC)c1nnc(S)n1N=Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 2318414398 AIGXOUINFQUSCK-UHFFFAOYSA-N 440.569 4.949 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(O)c2CN2CCN(c3ccc(F)cc3)CC2)C1=O 2324036939 QUZXYABDXALDCW-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)o1)C2=O 2325119125 FMIWQVHEXPZBKU-UHFFFAOYSA-N 433.460 4.847 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c(Cl)c1 2325299119 PYVSCAKKIPDTNA-UHFFFAOYSA-N 434.879 4.986 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)c1 2325571993 RMWCBCPCAPMYBR-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE Cc1ccccc1CCc1nnc(SCCCO)n1N=Cc1c(F)cccc1Cl 2329510033 WILFTRCCPVCPFI-UHFFFAOYSA-N 432.952 4.521 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)OC)nnc2-c2ccccc2Cl)c1 2329587977 LIWAKLRIUIMGBU-UHFFFAOYSA-N 444.944 4.535 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)c1 2330800195 BZYBJWWCFJBEIR-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)OCC(C)C)nnc1-c1ccco1 2331224767 LCBXQFNWAIFWBB-UHFFFAOYSA-N 442.541 4.500 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccs2)c1 2331440268 WLLQAYPQWFXCAM-UHFFFAOYSA-N 427.599 4.768 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCC1 2331493528 SMTPGQDUXXZZEK-UHFFFAOYSA-N 429.546 4.668 30 10 IJEE Cc1cc(N)c(C#N)cc1Oc1cc(Br)cc(I)c1 2338761079 UMJXBMFQINEPET-UHFFFAOYSA-N 429.055 4.608 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339575023 QMTGCFFLMQHBIF-GOSISDBHSA-N 443.397 4.926 30 10 IJEE C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2339575832 ZYSCUJHIOQISQM-WXVNRZFOSA-N 444.381 4.893 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3cc(Cl)ccc3Br)C2)OC1(C)C 2342482502 NHONATJVKKAIIK-GOSISDBHSA-N 428.563 4.801 30 10 IJEE O=C[C@]1(Cc2ccc(I)c(Br)c2)CCCC(F)(F)C1 2349846713 CCMMHMYFCRRMSV-ZDUSSCGKSA-N 443.069 4.991 30 10 IJEE C=CC/N=C(\S)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1 1968417 DKWKDPAOOFDCBV-YDZHTSKRSA-N 448.386 4.822 30 10 IJEE N#CCCn1cc(/C=C2/N=C(c3ccccc3)OC2=O)c(-c2ccc(Br)cc2)n1 2834715 RNDKRJZKSOHLPE-CPNJWEJPSA-N 447.292 4.571 30 10 IJEE Cc1cc(C)cc(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCc3ccccc3C2)c1 14159917 DMEKVZSDGOGXCE-UHFFFAOYSA-N 444.608 4.933 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472961 XFHFTPYGLDHCSR-CKJXQJPGSA-N 445.928 4.539 30 10 IJEE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C#N)cc1 14650886 MIKSJMCTEIWNBX-UHFFFAOYSA-N 446.370 4.872 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)cc1C 20905294 OCGAWQPMUMYNDC-ZMOGYAJESA-N 430.537 4.752 30 10 IJEE O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21251671 AOGUESSFWQDPRA-UKRRQHHQSA-N 431.275 4.906 30 10 IJEE C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 21725361 MZJNYPISDIRLPD-OAHLLOKOSA-N 432.505 4.530 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)CC(C)C 36049576 MUMAKLGQWNHOIM-UHFFFAOYSA-N 430.552 4.847 30 10 IJEE COc1ccc(/C=C\C(=O)c2cc(F)ccc2OC(=O)c2ccccc2OC)cc1OC 102429790 PNLKSSQYNNWELL-FLIBITNWSA-N 436.435 4.967 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921710 XWJKRJUHCVFLRU-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2OC)cc1C 169940800 KVGRRKLOAOCXAJ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1 170044235 OFAWCTYBFSXQPJ-FQEVSTJZSA-N 445.874 4.714 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(OC)cc1 170116048 RHWZXJVEGWGPNK-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC)c(OCC)c1 170127669 OLXLGFPXPGEWBS-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(O)cc1 170133596 WCVSDZPXZJLSBY-XMMPIXPASA-N 441.483 4.809 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170169773 HDGWWNBJNWYKME-HSZRJFAPSA-N 428.463 4.882 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)cc1 170176285 MIVRWPJOIMSJCC-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170208439 BCLKTVPZYSIUGG-LJQANCHMSA-N 440.286 4.562 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170241939 IQGYAVRNXPKUHQ-XMMPIXPASA-N 442.490 4.878 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(C)o2)ccc1Cl 170300925 MIQFBTGGUBODSC-HXUWFJFHSA-N 439.851 4.739 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)ccc1Cl 170305040 MCBWUXMJPVEVBF-OAQYLSRUSA-N 448.862 4.905 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2CCc2ccc(Cl)cc2)cc1 170446246 GTMINGBUUHHFBZ-OAQYLSRUSA-N 440.971 4.959 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 170446963 VNBWQJIQRHDSNV-FQEVSTJZSA-N 445.500 4.738 30 10 IJEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]3c3ccc(O)cc3)sc2c1 170451101 DKDZUPSKVQELNH-GOSISDBHSA-N 438.505 4.526 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCC(=O)c1ccc(Cl)cc1 170509379 GCMWJXUVTWXTEH-UHFFFAOYSA-N 429.867 4.547 30 10 IJEE COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)SC2=Nc2ccccc2)cc1 254500230 CVMVRSWYYAUVNB-QFIPXVFZSA-N 445.544 4.856 30 10 IJEE COc1ccc(C#N)c(Nc2ccc(I)cc2Br)c1 311998301 XGXBMSFJHDQYMS-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 504450530 XXQKSDFOOGTUGR-UHFFFAOYSA-N 425.488 4.833 30 10 IJEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(OC2CCCCC2)CC1 508740135 OOUOPIKVUMHPMJ-UHFFFAOYSA-N 435.616 4.735 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 508920676 VLPAHOTYZAZFBG-UZUQRXQVSA-N 429.499 4.785 30 10 IJEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(OCc3cscn3)c2)c1C 523528200 OIFZYZUXXJXGSL-UHFFFAOYSA-N 429.505 4.649 30 10 IJEE COc1ccc(CN(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586156046 IBBKURCZZVYQIG-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1Cc2cccc(Br)c2C1 589644017 PJWGAPADUMHPAB-UHFFFAOYSA-N 440.301 4.712 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 598286741 LOIMCHJQSWXDDL-OAQYLSRUSA-N 440.613 4.536 30 10 IJEE N#Cc1ccc(CNC(=O)c2cc(I)c(Cl)cc2Cl)c(F)c1 618651490 MMWGABFLOPPDRX-UHFFFAOYSA-N 449.050 4.539 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@]1(C#N)CCc2cc(Br)ccc2C1 698461574 ZHABYTFEVZZOGG-NQIIRXRSSA-N 435.362 4.616 30 10 IJEE CCOC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1C 708811566 QYSGQHJUOBQYPO-QHCPKHFHSA-N 433.549 4.560 30 10 IJEE C=CC[C@]1(C(=O)Nc2cncc(Cl)c2Br)CCCN1C(=O)OC(C)(C)C 808873353 JKTZSAKBESPZNB-GOSISDBHSA-N 444.757 4.782 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(CSCc4ccccc4)c3)CC2=O)cc1 1126238697 BOTYAPBMUUYGHA-JOCHJYFZSA-N 441.556 4.983 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CCCC1(C)C 1128469526 QNPPGCPKHXBRBB-LJQANCHMSA-N 427.010 4.577 30 10 IJEE N#Cc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1Br 1130068251 HQXNLRNBCTWVLK-FQEVSTJZSA-N 448.320 4.821 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1130562822 AVPPVKZALRSSSL-UHFFFAOYSA-N 434.540 4.524 30 10 IJEE C=CC[C@H]1N(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCCC1(C)C 1139511466 OUFQUWPFLWFTNQ-FCHUYYIVSA-N 443.632 4.605 30 10 IJEE C=CC[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(Cl)c1)C(=O)OC 1164588214 SOEFOSWEGJNNBS-QGZVFWFLSA-N 435.332 4.902 30 10 IJEE C=CCOCSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCCC3 1164687203 WXNNVVKUERBXPB-UHFFFAOYSA-N 428.579 4.977 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)c2ccc3nc(O)oc3c2)cc1OC 1179277831 NNTVLBKQZVWZGC-GFCCVEGCSA-N 433.302 4.720 30 10 IJEE C#CCN(CC(=O)Nc1cc(Cl)ccc1C)[C@H]1CCOc2ccc(Br)cc21 1191040431 XBRUKVPJDOTBEZ-IBGZPJMESA-N 447.760 4.808 30 10 IJEE C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OCc2ccccc2)c1 1194057806 CNXQQHMAAMPUEF-FNZWTVRRSA-N 425.532 4.983 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1ccc(Br)c(I)c1 1215112340 OVVAEAMBIKZJQI-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE C#CCN(C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1225807217 MHGZNWFEPUDRGP-XMMPIXPASA-N 447.579 4.934 30 10 IJEE C#CC(C)(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1265136427 MFRKNCQRIOQXIT-UHFFFAOYSA-N 445.375 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC1CCCC1 1286299752 YOHBQHQNMMBYMU-FPOVZHCZSA-N 443.636 4.821 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@](C)(CC)C1 1286498554 JLMDYKPQSXODQW-UZUQRXQVSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCS1 1286527195 DMHBWXDZZYRCGZ-DENIHFKCSA-N 431.005 4.788 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1ccoc1C 1286537969 HACVXCACJJOOME-UHFFFAOYSA-N 426.318 4.873 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSCC1 1286549056 CZLWEZZUUBAMIP-KBXCAEBGSA-N 439.412 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccsc1 1286549700 GMYXIAAVHWUQJI-HKUYNNGSSA-N 429.977 4.673 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC1CCOCC1 1286603200 OUWOGVSPCLGXRV-GOSISDBHSA-N 444.645 4.587 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nc(C)cs2)CC1 1286641318 WSYYXRXDJOGSAQ-UHFFFAOYSA-N 439.585 4.711 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286682945 YLGQGJAPJMWRSK-INIZCTEOSA-N 428.943 4.821 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286719805 RMFZVFYZOITOIP-RXVVDRJESA-N 439.604 4.775 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1286751208 NASMMNVXJACFMZ-GOTSBHOMSA-N 441.664 4.641 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCC(F)(F)C1 1286767484 UGKBQKOJDZBFPF-KRWDZBQOSA-N 427.499 4.568 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCC1CCOCC1 1300284608 SSFMWMFZIKOVFJ-ROUUACIJSA-N 426.630 4.796 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1oc(CCC)nc1C 1300324262 CEEMTCNJEUJGPX-HNNXBMFYSA-N 444.004 4.979 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1300394453 QIDSAPONQIRPDH-FPOVZHCZSA-N 447.583 4.626 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1300830081 CZSXCMISIWFCRX-WCQYABFASA-N 445.814 4.993 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2c[nH]nc2C)CC1 1301065561 GDENFUOOSCHYDZ-SFHVURJKSA-N 440.979 4.892 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1301136929 IHONZZIGMYPLBE-NRFANRHFSA-N 444.583 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1C(F)(F)F 1301155728 STRDNYZCIYSPHG-UHFFFAOYSA-N 449.521 4.658 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1301222818 GXYPEFBLGZNGKV-UHFFFAOYSA-N 441.595 4.505 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CCC 1301346417 BYIJSMWZXPMHPX-XMMPIXPASA-N 430.600 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(=O)N(C)C)CCCC1 1301379120 ASYWKTMVIDNVAQ-UHFFFAOYSA-N 445.970 4.565 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1301621516 ZIDLOPDAJQAVGL-IBGZPJMESA-N 437.997 4.585 30 10 IJEE CS[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1302582998 IDPSZHGTGIDOGA-XXBNENTESA-N 438.576 4.713 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1 1303619252 GVCMTMSXKVDJGE-SFHVURJKSA-N 434.613 4.950 30 10 IJEE C=CCC1(NC(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)CCOCC1 1310308966 ZJRYGKCZKUGITM-UHFFFAOYSA-N 447.535 4.952 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1c(F)cc(F)cc1Oc1ccccc1C 1311015666 ZXOWCPFOBHOTSR-UHFFFAOYSA-N 430.451 4.874 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccncc1 1312018126 AYRGURVLBJVNEZ-SFTDATJTSA-N 442.604 4.958 30 10 IJEE C=C(CNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1)c1ccccc1 1312822345 ZFBJMNVZDZGDAO-GOSISDBHSA-N 446.332 4.579 30 10 IJEE Cn1cc(-c2nnc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)o2)c2ccccc21 1322291562 HGPFXVMSYWOGPJ-UHFFFAOYSA-N 440.463 4.732 30 10 IJEE C#Cc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)c1 1352370452 HQEGUSBBODDVND-UHFFFAOYSA-N 446.482 4.925 30 10 IJEE C=CCc1cc(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)cc(OC)c1OC 1356317461 SRSJUNBWKURVLJ-UHFFFAOYSA-N 448.357 4.669 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 1358432440 CHZPQGTZLCAWIU-QHCPKHFHSA-N 441.506 4.701 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)CCC(C)C 1358875925 YWJOUHIUTMTIJK-NFQMXDRXSA-N 447.627 4.998 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC(F)(F)F)CC1 1358921581 BRNWCABWVHKEKX-UHFFFAOYSA-N 442.489 4.917 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCc1cc(C(F)(F)F)ccn1 1359004483 XEBCXZHIFNCTSW-UHFFFAOYSA-N 433.865 4.715 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C1CC(C(C)(C)C)C1 1359014262 CDGBGZAPFOBVQS-ACBHZAAOSA-N 429.609 4.807 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CCOC)CCCCC1 1359014454 JZWSWEFMUHJJIV-NHCUHLMSSA-N 430.637 4.643 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1359120947 NPRUFEOUILKIJV-GOSISDBHSA-N 434.588 4.684 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCNC(=O)C2CCC2)CC1 1359173439 GJTLSNRVKZCFFC-QHCPKHFHSA-N 435.616 4.529 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)N(CC)CC)CC1 1359173543 IPVQTQQJTHECDO-RTBURBONSA-N 429.584 4.690 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1359204886 FJSSILSLLWTANP-RUZDIDTESA-N 449.574 4.709 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359205144 NPLJALUFTRPUMH-FQEVSTJZSA-N 437.975 4.931 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1c(CC)noc1C 1359259847 KGZUXVXXNSJHJS-UHFFFAOYSA-N 434.519 4.522 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC(c2nc3ccccc3o2)CC1)C(C)C 1359265000 VUHOYUXGIIWOOF-QHCPKHFHSA-N 448.615 4.810 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(C)(C)CC 1359270598 VTFSFVRKVZPABA-UHFFFAOYSA-N 434.588 4.851 30 10 IJEE C=CC[C@@]1(C(=O)N2Cc3cccc(Br)c3C2)CCCN1C(=O)OC(C)(C)C 1435978029 YAAYZOBJZVMSLG-NRFANRHFSA-N 435.362 4.637 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2(C)CC2)c1 1439866125 WDXKQVLZAGZIND-INIZCTEOSA-N 432.973 4.640 30 10 IJEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1C 1440100001 CQQJSFPPQYWLPL-NRAIQUKZSA-N 434.536 4.576 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(CN3CCCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1442615089 KCKDFYISOTXDAS-AREMUKBSSA-N 439.600 4.794 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)CC#N 1443566881 CUAZXIRBOUPOHV-HOYKHHGWSA-N 431.536 4.620 30 10 IJEE CCOc1ccc(CCCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1OCC 1458839840 FYGQEXXRTLQULW-UHFFFAOYSA-N 436.487 4.642 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc(C)c(Cl)cc2I)cc1 1459927425 CMNCXHODNPNXMB-UHFFFAOYSA-N 441.696 4.748 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(N3CCN4CCC[C@@H]4C3)cc2)cc1OC 1461706889 IHDZAHXVNOYSLC-OAQYLSRUSA-N 427.976 4.810 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1 1463746305 JRGHLIRCHILCRT-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 1464622315 JAYZGRVVFOIJJO-PKOBYXMFSA-N 427.426 4.742 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)cc1 1466569287 IEIUMBPBSUWBHW-QFIPXVFZSA-N 446.507 4.554 30 10 IJEE C#CCOc1ccccc1NC(=O)c1cnc(-c2cc(Br)ccc2OC)s1 1466978876 LSDLDGVEJFNIIM-UHFFFAOYSA-N 443.322 4.846 30 10 IJEE C#C[C@H](NC(=O)NCCc1cc(Cl)ccc1Br)c1ccc(Cl)cc1 1469460885 LXJXPICNOJPALX-KRWDZBQOSA-N 426.141 4.972 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H]1c2ccccc2C(=O)N1C)c1ccc(C(F)(F)F)cc1 1469491002 IMKCMAOTGAGMKE-UXHICEINSA-N 431.458 4.839 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 1469876270 DRDMYNYRKPRACU-QHCPKHFHSA-N 443.996 4.966 30 10 IJEE C#CCN(C(=O)NCC[C@H]1CCC(C)(C)CO1)[C@H]1CCOc2ccc(Br)cc21 1471466213 JGKDJUYHIJZAHZ-MJGOQNOKSA-N 449.389 4.513 30 10 IJEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1 1474906852 HKBDSSSTWROWMG-UHFFFAOYSA-N 437.536 4.846 30 10 IJEE C=CCc1cc(CNC(=O)NCCc2c[nH]c3c(Cl)cccc23)cc(OC)c1OC 1477657947 MSFFSCUNIBWBFQ-UHFFFAOYSA-N 427.932 4.609 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@H](C)CC#N)C1 1493689145 HGUZANVMHWSEMZ-NHCUHLMSSA-N 447.631 4.530 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1497581384 BNQWYHHZOHTHEF-UVYNTUDKSA-N 437.588 4.559 30 10 IJEE CCc1nc(C)c(Cn2c([C@@H](C)CC)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)o1 1498259925 CZDNLUIDZLIYSA-KRWDZBQOSA-N 448.571 4.618 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccsc1)N(CC)CC 1507542691 SAMSSWHPHXPPLD-PXNSSMCTSA-N 427.643 4.533 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1507556305 KMFRKKLKJOMZOT-UHFFFAOYSA-N 432.490 4.659 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCc1csc(C(C)C)n1 1507662334 QPACNBIEUSDEGN-UHFFFAOYSA-N 438.000 4.884 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1 1507795487 LIQFFHVQSHCUDP-NQIIRXRSSA-N 425.964 4.710 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cn(CCCC)nc2C)CC1 1507889111 UHGLQQKBBRDCJI-UHFFFAOYSA-N 448.615 4.984 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1507923759 CGDALPXXVBFSNV-HSZRJFAPSA-N 430.600 4.621 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507955550 JYLPAKAKPAESMZ-OAQYLSRUSA-N 439.604 4.523 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)N1CCC[C@H](C)C1 1507973518 HIHIENUSLXUGMK-LEWJYISDSA-N 449.599 4.860 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)C(C)C 1508010754 DLEOJULMOXPCKV-XZOQPEGZSA-N 444.023 4.516 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)CC=C)C1 1508118149 PQPACYWKISETPY-QFIPXVFZSA-N 432.572 4.514 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC2CC2)C1 1508128264 NGUHNYXQHRTYAF-KRWDZBQOSA-N 437.371 4.745 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1508150958 SREYTWYTXJTSEG-LSDHHAIUSA-N 440.585 4.796 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1508151063 KJPYTDCYOJKSSD-OAQYLSRUSA-N 438.597 4.604 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1512935669 ITSYLEYNWLZHLF-RRQGHBQHSA-N 448.493 4.620 30 10 IJEE CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H]2C)on1 1513304167 IFRNQBYTEBYPAG-ZWKOTPCHSA-N 448.571 4.903 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@@H]1C 1519149736 BJNYWKBZIRFRPY-GBXCKJPGSA-N 435.616 4.972 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 1520377498 SKDUQSUUOUBEPG-FQEVSTJZSA-N 448.975 4.965 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1C(F)(F)F 1527515181 HDZMDVWFLVLCDI-QGZVFWFLSA-N 437.393 4.921 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)cc1 1534583494 GYHRDKDLGRMJKL-CABCVRRESA-N 445.610 4.588 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1535483301 IAWZQKCXXPFOPS-MSOLQXFVSA-N 437.378 4.569 30 10 IJEE O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cnn(-c2ccc(F)cc2)n1 1539050601 HGYRHEKPHJOHIO-HNNXBMFYSA-N 433.283 4.886 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2ccccc2)nc1 1539375799 IJONFISXHKRCTM-UHFFFAOYSA-N 429.549 4.626 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCN(CC)C1 1539567075 UHONJWRMLTWWRY-AJTFRIOCSA-N 449.643 4.623 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@](C)(OC)CC1 1539759313 QSXVTTFADPNZRM-DEOSSOPVSA-N 444.645 4.867 30 10 IJEE N#Cc1cccc(C2(NC(=O)CC3(CNC(=O)OCc4ccccc4)CCCCC3)CC2)c1 1539838328 DGNBLOKCOQBHCN-UHFFFAOYSA-N 445.563 4.931 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccc(F)c1)N(C)C)C1CC1 1540101599 IBQKPACKGSDGSO-FQEVSTJZSA-N 440.954 4.590 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1OCCC1(C)C 1540154516 ZCXXSBXLZAAJGC-GOSISDBHSA-N 449.368 4.840 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccccc1-n1cccn1 1540187438 QFDFUTPAZILMGB-UHFFFAOYSA-N 444.583 4.929 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1540507669 VBTNJQIAIMLSAZ-UHFFFAOYSA-N 449.372 4.774 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1 1540550034 GEUMIKUYMOTYFM-XMMPIXPASA-N 445.950 4.795 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H](C)N2CCCCC2)C1 1540887008 NPSLUKPKRFYUHM-DENIHFKCSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1540911664 YEIOPBNFBSZECF-QZTJIDSGSA-N 448.036 4.556 30 10 IJEE N#Cc1c(F)cccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1542529737 GQLFRUCGHRWIOS-NRFANRHFSA-N 439.943 4.942 30 10 IJEE CN(CCOc1ccccc1C(C)(C)C)C(=O)COc1cccc(Br)c1C#N 1542536704 FBAZDERUXLVNGU-UHFFFAOYSA-N 445.357 4.534 30 10 IJEE CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc3nc(O)n(CC(F)(F)F)c3c2)cc1 1542968658 BQIAYKZTOVZKID-KRWDZBQOSA-N 430.430 4.596 30 10 IJEE CC(C)OCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1543866777 GSSUDGRKSFRMPQ-HXOBKFHXSA-N 427.618 4.686 30 10 IJEE Cc1cc(C(=O)NCCc2cccc(OCc3ccccc3)c2)nn1-c1cccc(C#N)c1 1544670991 IAOMIOOSRMIORB-UHFFFAOYSA-N 436.515 4.604 30 10 IJEE C=CC1(CC(=O)N2CCC(c3ccnc4ccccc34)CC2)CN(C(=O)OC(C)(C)C)C1 1556685622 KXXLXJLJUBJHEJ-UHFFFAOYSA-N 435.568 4.754 30 10 IJEE C=CCn1c(SC[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)nc2ccccc21 1559316703 XUFGBGDFWRIURL-SBUREZEXSA-N 429.586 4.731 30 10 IJEE C=CCN(C(=O)CN1CCCC(=O)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1560195400 QRXNLAKROMHUBX-ZDUSSCGKSA-N 438.380 4.689 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 1561011222 DXTBZXDIOHLCAS-RDJZCZTQSA-N 446.897 4.630 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 1565630558 FITAFTKFJWUMDD-IAGOWNOFSA-N 425.451 4.636 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccc(Cl)cc1F 1584734026 YEJZIJKSMZJYPX-QGZVFWFLSA-N 439.771 4.927 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCC(C)CC1 1587585402 ALXIJDWEYVGZLL-UXHICEINSA-N 439.673 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@H](C)C1 1588104917 CZAXLLNIXQQEQE-FUHWJXTLSA-N 425.374 4.525 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1588482812 WITQKZCEDRRYDE-URXFXBBRSA-N 449.574 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1cccc(Cl)c1C 1589229222 ZQQSREACXIJMOD-JOCHJYFZSA-N 425.989 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCSC1 1589590164 UBZGBMVGVZOYBV-IBGZPJMESA-N 427.618 4.693 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(-c4cc(C)c(C)cc4C)[nH]n3)n[nH]2)c1C 1593686561 FNADQIPDFMKDAZ-UHFFFAOYSA-N 429.528 4.644 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@@H](COC)OC)CC1 1594065028 XJFFCQWNORLQJP-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CC1 1594498048 PMJSURIEYQHHSJ-GOSISDBHSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1594573568 URHOZUGULRPGCB-NRFANRHFSA-N 446.599 4.511 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCc2cccnc21 1595234404 SAJRQSUPGUWWMV-QZNHQXDQSA-N 435.616 4.890 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1CC(=O)N(C)C1CCCCC1 1595239463 LCCGZJRUXLUVJC-UHFFFAOYSA-N 449.643 4.962 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@H](CC)C1 1595854412 AIYKKVWKTWVRLD-NVXWUHKLSA-N 437.009 4.530 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1611768828 DRNXMINMRBAAHI-PLMTUMEDSA-N 432.494 4.688 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCOCC2)CCC1 1614428522 GBYUMOLANCUKCW-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C=C(C)CN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)Cc1ccccc1 1617693993 MDVCIVGBQPRVRU-DEOSSOPVSA-N 426.004 4.671 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)cc1OC 1623470302 ICRQSNFTJPJYSG-WYMLVPIESA-N 438.524 4.937 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 1624442652 PRFUQGBQSVZGDJ-HNAYVOBHSA-N 434.378 4.942 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 1625282717 VUHWPEUKLMOPMK-UHFFFAOYSA-N 434.471 4.593 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 1633089679 SRHKFPGFTVBOAM-RXVVDRJESA-N 434.422 4.848 30 10 IJEE C=CC1(CC(=O)N(OC)[C@@H](C)c2cccc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1633372133 CNTADMCAGZUXLJ-HNNXBMFYSA-N 442.478 4.970 30 10 IJEE C#CC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)C(=O)OC 1637697483 UIELYPQTZJVZAF-VWLOTQADSA-N 449.510 4.501 30 10 IJEE N#Cc1c(NC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)sc2c1CCCCC2 1642267937 BOFIVGVTPUSRPC-YLJYHZDGSA-N 441.597 4.788 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl 1643267150 HKTPVLKOXJQAND-UHFFFAOYSA-N 435.417 4.650 30 10 IJEE CC(=O)c1ccc(CC(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)cc1 1644726997 ULRZJIARIWQAGG-UHFFFAOYSA-N 429.325 4.523 30 10 IJEE C[C@H](NC1(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)CCOCC1)c1ccccc1 1651518974 CRIVZPTWTJSNMC-FQEVSTJZSA-N 443.595 4.796 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(NC(=O)OCc3ccccc3)CC2)cc1OC 1652983460 UGFKYABLKQQGHZ-UHFFFAOYSA-N 444.959 4.804 30 10 IJEE C#Cc1cccc(NC(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 1657678429 URIRKXNBSIGXBX-HFZDXXHNSA-N 447.535 4.693 30 10 IJEE CCc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)c2cccc(F)c2)cc1 1661136713 CDJLHKUOGAEHAY-JOCHJYFZSA-N 428.916 4.981 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC(C)C)CC1CCN(C)CC1 1662577685 XUEYRWBVJOPFEK-UHFFFAOYSA-N 438.410 4.846 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1OC 1665345374 IAGQNMJSUYVVLK-GAJHUEQPSA-N 436.980 4.793 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 1668247350 BMIUEIZAZNUOGF-OAQYLSRUSA-N 446.450 4.654 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)cc1 1668390039 ZJQXPJMCTWCBPO-HXUWFJFHSA-N 427.451 4.931 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1 1668515134 MRLZWIGOBVPKQH-HSZRJFAPSA-N 431.561 4.681 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Sc2ccccc2)c(C(=O)OCC)c1 1669650604 UAQNCFFRFGEXFT-KRWDZBQOSA-N 426.538 4.564 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(Br)cccc21)c1ccc(Br)cc1 1674030340 DMJLDOINKFFGGD-MRXNPFEDSA-N 434.131 4.658 30 10 IJEE C[C@@H](NC(=O)N1CCC(Nc2ccccn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1681283174 FMSWQQBVJNQDPM-LJQANCHMSA-N 425.536 4.967 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)N[C@@H](c3c(Cl)cccc3Cl)C3CC3)CC2)cc1 1682872728 HLBFOQMNZCJRPI-JOCHJYFZSA-N 443.378 4.844 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N1CCC[C@@H](C)C1 1689839440 GMUHRIGRMOBNMN-IXDOHACOSA-N 434.415 4.830 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(Cl)=C(Cl)C1 1689914944 LAKISXBLXBYMSE-UHFFFAOYSA-N 427.339 4.648 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1690327631 VYSKJPYUUBMCRV-SFHVURJKSA-N 448.398 4.773 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1690328188 HBOHHQLXQBKAEP-DLBZAZTESA-N 434.968 4.573 30 10 IJEE C=C(Cl)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC(=O)NC(C)C 1690330043 BIPCZWILXKWPJZ-UHFFFAOYSA-N 438.384 4.527 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(CC)C1)c1ccccc1 1690444471 HQZWJROPEXGBGF-ZEQKJWHPSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1690465658 IZSLRTWHTWITKP-HXUWFJFHSA-N 436.629 4.565 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(OC)C1 1690499824 BIPNBFSQFZFEBN-KOSHJBKYSA-N 444.645 4.729 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCSC1)C1CC1 1690554094 TXLMUUJEMXZSSS-MJGOQNOKSA-N 447.649 4.648 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCSC(F)(F)F)C1 1690691709 KMNPWIQOZSGTTA-INIZCTEOSA-N 449.502 4.528 30 10 IJEE CCOCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1696216399 CUBDNPKJOSINGM-KOSHJBKYSA-N 443.567 4.750 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1705608608 XTJIEEKTXLFNKM-OALUTQOASA-N 446.014 4.955 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1Cc1ccsc1Br 1705617075 LVFWAJWZEVYZHQ-UHFFFAOYSA-N 443.414 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1csc(COC)n1 1705713743 RJNOZYSQDFYXOO-UHFFFAOYSA-N 434.569 4.547 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)F)C1 1705760667 OXJXEDHJSKUELN-GJZGRUSLSA-N 445.942 4.584 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCC[C@H]2CC)CC1 1705771640 BBQXHLOQWLMABG-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@](C)(O)[C@@H](C)CC 1705837280 WEQPEGIRLCBPGB-DJJJIMSYSA-N 441.801 4.780 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(C)(C)O)cc1 1705876676 GHVRJPKIPFDGKJ-FGZHOGPDSA-N 438.616 4.651 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@@H]1C 1705877448 HNMXFXOKUZRGTB-HNAYVOBHSA-N 426.362 4.852 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cccc(Cl)c1 1706462574 GODWNIZKXLRCFR-QHCPKHFHSA-N 432.012 4.903 30 10 IJEE CC(C)SCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](F)(C#N)C1 1706712571 FEBXZPKTAYTYKN-OAQYLSRUSA-N 433.622 4.859 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1 1722303513 PIDYCUQVBVFSRJ-OALUTQOASA-N 446.064 4.802 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN(C)C1CCCCC1 1722347410 YVRMGVUCFSHNBS-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC[C@H]1OC 1722376349 ZCHYZXSTJUQFSJ-TZIWHRDSSA-N 448.567 4.701 30 10 IJEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C1CC(C(C)(C)C)C1 1722416852 VIWLXMIRAYLCTR-CRIGQSRLSA-N 429.609 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@@H]1CC[C@@H](F)C1 1722475723 VGZFIGAKGHDXHX-PMAPCBKXSA-N 428.577 4.709 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(C)(C)C 1722503969 MLXBIIMNRWTLHF-OFNKIYASSA-N 426.605 4.535 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CC2(c3ccc(F)cc3)CCOCC2)CC1 1722568010 VMDWSMBNVBDRKW-UHFFFAOYSA-N 426.580 4.911 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCC[C@H]1C)C1CC1 1722651987 YAVIGQAATOSDIV-FQRUVTKNSA-N 438.616 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](SC)C(C)(C)C 1722666610 RGTSUEMYOKSFHQ-HXUWFJFHSA-N 428.602 4.672 30 10 IJEE CCc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(CC#N)CC2)o1 1727454580 FBKBVZUQIPBKFZ-UHFFFAOYSA-N 448.571 4.511 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C)c1 1730759873 HSFRGNFTKLRUBC-IBGZPJMESA-N 449.624 4.855 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1nc(C)cs1 1740631172 IGZZDMWKVQYVFP-NQIIRXRSSA-N 447.608 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1sc(C)nc1C 1740726207 ZGUQEOOZMPRBIW-WAIKUNEKSA-N 439.560 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCCCO1 1740751394 JRURTWCDCYWBIR-LWSSLDFYSA-N 438.616 4.807 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740780481 XDKWAVYSPWSZFG-APWZRJJASA-N 442.560 4.629 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1740821481 KTYJDCAGLSXOLM-UHFFFAOYSA-N 441.482 4.545 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)c2nccs2)CC1 1740834785 CMDKRYRMZXZQSY-MRXNPFEDSA-N 439.585 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1C[C@H](C)O[C@@H](C)C1 1740925909 SEVGCGPPPLIZRF-OALUTQOASA-N 432.572 4.717 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@@H](OC)C(F)(F)F 1740930542 VJJNCTAAUDLPMD-LJQANCHMSA-N 433.478 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2csc(CC)n2)C1 1740975411 OULDZYMLJSDVMD-LJQANCHMSA-N 444.004 4.641 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C)c1nc(C)cs1 1748552745 HKEGKBJLTJFNPX-KGLIPLIRSA-N 444.992 4.772 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(CSC)c1 1748686997 AOAMKIAYPWEVRO-DUXKGJEZSA-N 426.630 4.566 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[C@H]1CCCCO1 1748833585 VWWUUBDIACKMTM-TZIWHRDSSA-N 436.625 4.554 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(Cc1cccc(F)c1)C(C)C 1749043383 CZQZFRWYRHBVLT-UHFFFAOYSA-N 443.617 4.554 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@H](C)C1 1749215804 GCJICUFSQCDJOM-GJZGRUSLSA-N 439.423 4.844 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCCC[C@H]2C)CC1 1749335307 OHJSZXNWDKBVMP-OAQYLSRUSA-N 432.616 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749357015 GPMVNVCIEXIMFG-MJGOQNOKSA-N 444.023 4.882 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCC1)c1ccccc1 1749383517 YWQDHHABGZMKLZ-NRFANRHFSA-N 430.556 4.522 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCC2)C1 1749427860 VIJCZNKJDFYFTB-UHFFFAOYSA-N 429.609 4.739 30 10 IJEE C=CCCCn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1749439807 JVDCVTAQDLMGPP-QHCPKHFHSA-N 430.980 4.501 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccc(Cl)s1 1749551399 ZDCMNUZTBZVPKH-UHFFFAOYSA-N 443.001 4.947 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(SC)CC2)C1 1749718963 KWTDVBKJJZAGTH-GOSISDBHSA-N 430.643 4.556 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](c2ccco2)C1 1749757681 AFMMLGRMTWRWAJ-INIZCTEOSA-N 430.524 4.653 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@](F)(C#N)C2)s1 1751730141 IBYGSYUVICXPSO-RBZFPXEDSA-N 430.940 4.609 30 10 IJEE C#CCSCCn1c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1760286063 ASGUBOQJFBYIBG-HXUWFJFHSA-N 447.048 4.545 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)C(C)(C)C1 1760350847 USYWALURNGXFTI-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)c1ccccc1 1760419744 BJCHCGZCKVHODV-FYYLOGMGSA-N 448.615 4.538 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@H]1C 1760446718 ATEFYUICYVJFRN-MOPGFXCFSA-N 448.995 4.506 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760455940 CQJLNPKLQQDDMS-HZPDHXFCSA-N 449.983 4.607 30 10 IJEE C=CCN(c1nnc([C@H](C)CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1CC1 1760469846 HJUYSCMEJLFLKO-IEBWSBKVSA-N 429.609 4.736 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CCCCC1)N(C)C)C1CC1 1760471826 KIJHYQDTCPKJRW-HXUWFJFHSA-N 429.012 4.659 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1760569477 PKESXNFXNPHGRG-VWLOTQADSA-N 449.624 4.975 30 10 IJEE CCc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)s1 1764510170 HLZXSKAKICQNCC-QFIPXVFZSA-N 449.624 4.988 30 10 IJEE CCOC1(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1767497873 HPWGFRWNVDQUQA-REWPJTCUSA-N 425.552 4.611 30 10 IJEE CN(CCC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC(F)(F)C1 1768866681 APPXEXFVFSOREM-LJQANCHMSA-N 429.515 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(OC)CCC(C)CC1 1772516442 NRKZPQVYKKSRPW-UHFFFAOYSA-N 448.611 4.532 30 10 IJEE Cc1ccc(-c2ccc(/C=C3/SC(=Nc4nccs4)N(C)C3=O)o2)c([N+](=O)[O-])c1 1772735715 HWMURSVYDULDJP-NIHZCWFLSA-N 426.479 4.854 30 10 IJEE CCCOc1ccc(/C=C2\SC(=Nc3ccc(O)cc3C(=O)O)N(CC)C2=O)cc1 1772761123 WORIDUMCLUUXHK-OCFWRVAFSA-N 426.494 4.503 30 10 IJEE COc1cc2cc(C#N)c(SCC(=O)Nc3cc(Cl)ccc3C)nc2cc1OC 1858204666 IRUBCXGZVSADDH-UHFFFAOYSA-N 427.913 4.816 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(-c3ccccc3F)[nH]c2c1 1862092868 IVAZYSHNLPCXBV-JOCHJYFZSA-N 448.542 4.858 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(F)cc2)cc1 1862391281 XFIRLSVYRNSCBR-QFIPXVFZSA-N 425.500 4.783 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862432046 VGTUGSGIRAKFKR-NRFANRHFSA-N 435.863 4.530 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccncc2)c1 1862434085 RDVDXAWYQJTRGO-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(N(C)C)cc1 1862459082 BKZLZJFVFUJOPI-FQEVSTJZSA-N 432.442 4.548 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862474636 QQGWRDYATUYCHA-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc2c(c1)OCCO2 1862494718 OQZRWJQWSAIDID-HSZRJFAPSA-N 435.520 4.843 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1C 1862545266 VVOJJGQKJFGJNQ-DEOSSOPVSA-N 433.548 4.879 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862545971 MSUHXQRUZXROJN-MZNJEOGPSA-N 433.548 4.648 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1c(F)cccc1Cl 1862549638 UFXARTOUAJJBOL-NRFANRHFSA-N 443.902 4.583 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1862584374 XHAIPTWDWSBLDH-DYZYQPBXSA-N 440.710 4.606 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862590146 BVBLYBAHIJQNTM-DEOSSOPVSA-N 427.500 4.776 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc3cc[nH]c3c2)cc1F 1862641445 TWBDBTUEJKJGRV-QFIPXVFZSA-N 446.434 4.687 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862682725 RRCOBMZYKFIAPF-QFIPXVFZSA-N 439.483 4.756 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862721428 FBTPPKMJZZXTGW-MHECFPHRSA-N 427.500 4.621 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)cc1 1862735400 JRDFAEXYOYZBLY-IVZQSRNASA-N 444.443 4.640 30 10 IJEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN1CCC[C@@H](C)C1 1870778566 DDCKGKRFEOLFBQ-LJQANCHMSA-N 430.976 4.768 30 10 IJEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN1CCCCCC1 1870779088 QUMRHGUZSAPOHH-UHFFFAOYSA-N 430.976 4.912 30 10 IJEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc2c(c1)OCO2 1871089344 GWJJTKFBFMTZSJ-UHFFFAOYSA-N 442.874 4.747 30 10 IJEE Cc1cc(O)c(CN2CCC(CO)CC2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871396954 GYBWNYQHXSGEQC-UKWGHVSLSA-N 448.346 4.828 30 10 IJEE CCCC[C@@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O)C(=O)O 1871422836 FTNIFSWTQIIDHE-UZQMFHLOSA-N 426.465 4.651 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871438739 PGLUZWDCWRVTJE-FMCGGJTJSA-N 445.446 4.970 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)s1 1871443952 LNUALLGOZVIPLR-VUFYJBQKSA-N 449.532 4.740 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)nc(Nc2ccc(OC(C)C)cc2)[nH]1 1871723266 SAGCUDPIIPKCSN-UHFFFAOYSA-N 448.546 4.754 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871972112 CPJGSSCVNBMMNE-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 1871989498 VVKYNJJNTHATMC-JOCHJYFZSA-N 446.638 4.631 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cccs1 1872102245 PTLDCICDHBUNNN-LJQANCHMSA-N 431.583 4.604 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872108178 ZEYKNKAKLHBCHR-UTKZUKDTSA-N 434.627 4.931 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872441699 SATMUZCUBKNWKQ-UZUQRXQVSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872547832 UUBJSJRHEZJNNY-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccc2Cl)=C(c2cccnc2)C1=O 1873074548 VDKLWELDKBNWJI-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3CCC(CO)CC3)ncnc2n1CC 1873570778 INUGJSWCXDKFBU-UHFFFAOYSA-N 443.636 4.530 30 10 IJEE C=CCn1c(C(=O)NCCC2=CCCCC2)cc2c(N(C)Cc3ccccc3)ncnc21 1873595378 ADMCJEOOGJZCJU-UHFFFAOYSA-N 429.568 4.874 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(F)cc1F 1874261459 IJDFYFRYWZZHGD-YCPBAFNGSA-N 436.434 4.964 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(OC)c(OC)c1 1874267514 BAKOKOVSAQEMMH-YDZHTSKRSA-N 444.944 4.688 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCCC)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 1874277474 TZHXVJGADDBVSJ-LSPPGFKNSA-N 443.617 4.566 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874305770 OCKXWMCSXUAFAL-YZSQISJMSA-N 444.560 4.952 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccn2)cc1 1874406710 POLLOHUBRPAOLR-BUVRLJJBSA-N 436.541 4.879 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccccc1C 1874476105 GEIYJQBBYTTYQS-OEAKJJBVSA-N 426.542 4.873 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)c1 1874498470 JVDZOSRTCNILQK-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCCCOc1ccc(/C=N/n2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1OC 1874538221 SWKXCLQGQISGKY-YDZHTSKRSA-N 441.513 4.548 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1OCCCO 1874607796 GYTCWWDQUOYVQO-FPYGCLRLSA-N 425.706 4.768 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC 1874621697 OWNVKGCEVONXPV-VQHVLOKHSA-N 449.906 4.640 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874699596 CLAJGCCYUKRBMT-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] 1875100459 BVCRWUQMMZNTLY-VAWYXSNFSA-N 427.453 4.994 30 10 IJEE C[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 1896151271 HEMUJTFUYMWTOQ-HNNXBMFYSA-N 446.345 4.920 30 10 IJEE C=CCN(C[C@@H](O)Cc1c(Br)cccc1Br)C(=O)OC(C)(C)C 1937823849 VEEZGIVTDHRNQH-LBPRGKRZSA-N 449.183 4.538 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)ccc(Cl)c1F 2037655547 ZYTYZOOSALSVTO-BBRMVZONSA-N 433.749 4.809 30 10 IJEE C=CCC1(Nc2cc(Br)nc(CCC)n2)CCN(C(=O)OC(C)(C)C)CC1 2162407974 YKVLKWTUYNKULT-UHFFFAOYSA-N 439.398 4.949 30 10 IJEE COC[C@@]1(CNc2cccc(Br)c2C#N)CCCCN1C(=O)OC(C)(C)C 2162417665 HBWUEYFYXRNFQK-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(Br)cc1OC 2165534383 YLXFRWWVKZIZMN-VXKWHMMOSA-N 434.374 4.632 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCCC2)c2ccc(C#N)c(Br)c2)C1 2174764479 ZHLBPQABRBKOPO-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CC(=O)Nc2cc(Br)ccc2C#N)C1 2181147469 SGJYUGHDZQJCOS-BBRMVZONSA-N 436.350 4.733 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)cc2F)NCC)C1 2183009276 VXGLRMMWZNWJML-SFHVURJKSA-N 441.385 4.970 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)C=Cc2ccc(Br)s2)C3)OC1(C)C 2194119867 CJTLIWUBEXBLFA-ORAYPTAESA-N 438.196 4.609 30 10 IJEE CCN[C@@H](C#Cc1ccc(Cl)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216913659 MPBWDXJIMYBNGC-GOTSBHOMSA-N 442.987 4.780 30 10 IJEE Cc1cnc(Oc2cc(F)c(Br)c(F)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2241089000 UTEHTYCGWZXLFF-UHFFFAOYSA-N 426.066 4.522 30 10 IJEE C#CC[C@H](CN(C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243914413 BQKWVZDWABRNJF-OAQYLSRUSA-N 444.575 4.813 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2255523923 MACPYBGYEYKYMZ-SFHVURJKSA-N 425.353 4.812 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2255524652 SVQBHOAJTGRNIQ-SFHVURJKSA-N 425.353 4.812 30 10 IJEE COCCCN(Cc1ccccc1)c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1 2264348422 ARZNAXTYCDWXEN-UHFFFAOYSA-N 438.402 4.639 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266308638 WCQIHZSCHXQVKH-UHFFFAOYSA-N 427.314 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@H]1C(=O)C#Cc1cccc(Br)c1 2278730372 MOWCSSKBOWQCFJ-QGZVFWFLSA-N 438.387 4.501 30 10 IJEE CN(Cc1cc(Cl)cs1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282627939 KVQLDWRGZNKPHD-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@@H](N)C#Cc1cccc(Br)c1 2296221695 KVCKAMLTSWHENS-QUCCMNQESA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C 2296224413 JSKQCQMBBLHJQL-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2296266217 FPGXWTYVKNLRHN-UZLBHIALSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@H](O)C#Cc3ccc(Br)cc3)cc21 2296285260 ZVCWAIKMBHJYEM-HXUWFJFHSA-N 428.326 4.832 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296288062 BUZWFRDXIIPGPS-RTBURBONSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H](C)C1 2296289486 SCXHAJMWTJGPJQ-NBCNXNJRSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@H](N)C#Cc3ccc(Br)cc3)cc2C1 2296298863 OKSXVPZVYZCLLU-QGZVFWFLSA-N 447.398 4.855 30 10 IJEE O=C1C(=Cc2cc([N+](=O)[O-])ccc2O)SC(=NCc2ccccc2)N1Cc1ccccc1 2296964711 SUYRXQZAULQIKW-UHFFFAOYSA-N 445.500 4.973 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2301432957 CJDKQFLDPVATQR-JMJGKCIBSA-N 428.617 4.903 30 10 IJEE COc1ccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c(OC)c1 2314438548 WTUPOAKHUQSOMJ-UHFFFAOYSA-N 433.416 4.807 30 10 IJEE CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2317240875 ACPZKRAXZCXXIE-NRFANRHFSA-N 443.828 4.603 30 10 IJEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2C2CC2)cc(Cl)c1O 2320858420 WPIUEJHOZCUEAG-UHFFFAOYSA-N 428.945 4.740 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2COc2c(C)ccc(C)c2C)cc1OC 2322161051 RXHYDCOAHYACRN-UHFFFAOYSA-N 440.569 4.751 30 10 IJEE Cc1cccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc([N+](=O)[O-])cc2)C4=O)c1 2322217884 KYSFEALDSNJJLU-UHFFFAOYSA-N 428.444 4.872 30 10 IJEE Fc1cccc(Cl)c1C=Nn1c(S)nnc1CCCOc1ccccc1Cl 2322234883 UXZCFUABWJUUPX-UHFFFAOYSA-N 425.316 4.907 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)C(=O)Nc1ccc(F)cc1 2324312703 OIZYMXUZJZIFHP-CQSZACIVSA-N 447.418 4.577 30 10 IJEE COc1cc(Br)cc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)c1O 2325610872 BKABROHQQAWKGS-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2328556581 KAELZKQBLCNWEA-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OC)cc1 2330989706 FGVCSDUJAYDJMR-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(F)(F)F)c1 2331159504 FPLJZSJMKYKZMS-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C(C)(C)C 2331411675 AUQYAWUHMUSSRS-SFHVURJKSA-N 435.597 4.736 30 10 IJEE CCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC 2331885403 BXJSZJNVNGHEAT-UHFFFAOYSA-N 448.899 4.976 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(Br)ccc2F)OC1(C)C 2339403505 NLMZBAXSLBRBIB-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2360943352 GCKROBYIRNVJOC-WSTZPKSXSA-N 435.406 4.720 30 10 IJEE C=CC[C@H](Oc1ccnc2cc(Br)cnc12)[C@H]1CCN1C(=O)OC(C)(C)C 2361018978 SCJSEEFMOGZDQM-CVEARBPZSA-N 434.334 4.725 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(F)cc1Br)NCCC)C(=O)OC(C)(C)C 2363131734 ULRPTNJQNIXPEF-GOSISDBHSA-N 441.385 4.759 30 10 IJEE C=CCN(C(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 14055212 MYKLYJHXTJFCGR-NRFANRHFSA-N 435.549 4.605 30 10 IJEE COc1cccc(COc2ccc3c(c2)O/C(=C/c2cc(OC)c(OC)cc2OC)C3=O)c1 33514075 IJOLLLFIIFQZJH-BRJLIKDPSA-N 448.471 4.916 30 10 IJEE C=CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCC1)CC2 37603045 BMMZJMGPVRBWAJ-IZZNHLLZSA-N 446.591 4.811 30 10 IJEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)[C@H]2CCCO2)nc2ccccc21 40196207 ZLTGJEHJNXHRMK-NTKDMRAZSA-N 433.552 4.590 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(CCc1cccs1)CO2 41650293 VIQQDZVAAXMEAU-JJFYIABZSA-N 447.512 4.796 30 10 IJEE O=C1/C(=N/n2c(CCc3ccccc3)n[nH]c2=S)c2ccccc2N1Cc1ccccc1 59168812 VDXMUCUMFCQUPY-WEMUOSSPSA-N 439.544 4.525 30 10 IJEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2OC)cc1 66437677 NTXPTYKVPITLIN-UHFFFAOYSA-N 442.519 4.626 30 10 IJEE biogenic COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc12 102515150 RHVYBLOTRIPGQI-RKKARLDVSA-N 435.907 4.951 30 10 IJEE Oc1c(Br)cc(/C=N\Nc2nc3ccccc3s2)cc1Br 103067755 GMVKDPOJUGMWTJ-IDUWFGFVSA-N 427.121 4.973 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 103105174 GLJLHVDEHIQVLJ-LAFOYAEKSA-N 449.488 4.603 30 10 IJEE CCOc1ccc(/C=N\n2c(S)nnc2-c2ccccc2OCC)cc1Br 169912246 RMGNWVCHHUVVII-MTJSOVHGSA-N 447.358 4.676 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(O)cc2)cc1C 169962687 SKNKCBCFYBCYAF-QHCPKHFHSA-N 445.471 4.506 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2ccccn2)c1 169994545 MYSUJWYSZYZLRG-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2C)cc1 170088809 ZPEJRRGQJGIEKC-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1OC 170123824 DBZCRDCWMQCCHS-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)cc1OC 170156522 WGOZGRUMKXOTPW-NRFANRHFSA-N 435.501 4.857 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccn2)cc1C 170175243 NUQZOZFCMDYKSZ-QHCPKHFHSA-N 444.487 4.586 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(O)c(Cl)c1 170220163 GBYYWCXEKBWGAX-FQEVSTJZSA-N 429.900 4.821 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(O)c(Cl)c1 170220223 UCJWDKLQPUGINR-FQEVSTJZSA-N 429.900 4.741 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2F)cc1C(C)C 170247095 AZSHZXPUYPCLFR-QFIPXVFZSA-N 441.499 4.573 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)cc1 170259253 VQEPCFVFMZPDDV-HSZRJFAPSA-N 429.472 4.962 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1CCN(C)C 170276526 AOKLHQHZHZWNAG-OAQYLSRUSA-N 438.911 4.535 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(Cl)c2)ccc1OC 170440794 ASZGIZAOZDXLPI-HXUWFJFHSA-N 429.900 4.872 30 10 IJEE C=CCNC(=O)c1cc2ccc(OC(=O)/C=C\c3ccc(OCCCC)cc3)cc2oc1=O 206535515 YNIFZOPKMVFQFR-JYRVWZFOSA-N 447.487 4.507 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1cccc(C(C)=O)c1 252596562 CKNKJUCLEBEBPH-IBGZPJMESA-N 443.956 4.831 30 10 IJEE CCCCCCCNC(=O)c1c(N)n(N=Cc2ccc(F)cc2)c2nc3ccccc3nc12 254904524 FJMZSQLGFVIZKU-UHFFFAOYSA-N 446.530 4.888 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 407490523 AEMAAJVCELXSBC-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446627803 GUXQDZUXKZDRTO-UHFFFAOYSA-N 433.339 4.792 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1CCc1ccccc1 460557971 VZHJYCSAPYRIRB-HXUWFJFHSA-N 440.551 4.772 30 10 IJEE COc1cccc2c1CCN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CC2 488243856 AWAXZJMGMSEGLN-UHFFFAOYSA-N 445.494 4.918 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(O)c2)cc1OC 526604874 KVJBLFGRTDEPHW-XMMPIXPASA-N 442.471 4.728 30 10 IJEE N#Cc1cccc(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 531154127 FKBZEHWDZMWIHE-JOCHJYFZSA-N 434.421 4.902 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(I)cc1 534570419 UTLFODYVGMLKAT-SFHVURJKSA-N 431.277 4.840 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccc(OC)cc1)C1CC1 569511345 XGUJBWZSBIDVAL-ZEQRLZLVSA-N 430.552 4.887 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1-n1cnnn1 586322573 WTARDJUKGLTMQN-UHFFFAOYSA-N 434.544 4.525 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cncc1Br 687152181 RWTNZJUSESJXEG-DOTOQJQBSA-N 430.362 4.883 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(F)cc(Br)c1 698401887 WZCCUBQVEAALJX-QGZVFWFLSA-N 428.346 4.732 30 10 IJEE C=CCOc1ccccc1CNCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705674725 GODUNHLYGBFKAZ-UHFFFAOYSA-N 428.576 4.812 30 10 IJEE N#C[C@@H](C(=O)c1cccc(F)c1I)c1cccc(Br)c1 721679743 DKLYMNRYYVCKGW-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN(C)c2ccc(Br)cc2F)c1=S 754748026 XNCRJRHXGDLUTB-UHFFFAOYSA-N 434.338 4.658 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1=S 760407848 MNTWRDVIIUWJSB-HXUWFJFHSA-N 442.629 4.592 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1OC 762554501 DAAMZJAHTCYRKU-LJQANCHMSA-N 446.544 4.717 30 10 IJEE N#Cc1ccc(N2CC[C@H](OC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)C2=O)cc1 764050396 HUIGPVZBWVRSSF-PNDHZVEESA-N 434.801 4.506 30 10 IJEE C=CC[C@@]1(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CCCN1C(=O)OC(C)(C)C 791800723 INTYGBQDDNBIDG-NYHFZMIOSA-N 429.517 4.957 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 800631724 WLOSSJAXHZGLJR-QHCPKHFHSA-N 434.561 4.568 30 10 IJEE Clc1ccc(C=NNc2nc(SCc3nnc(-c4ccccc4)o3)n[nH]2)c(Cl)c1 1084157549 QVUSJXFGLJWLTE-UHFFFAOYSA-N 446.323 4.900 30 10 IJEE CCOc1cccc2cc([C@H](C)NC(=O)COc3cccc(Br)c3C#N)oc12 1124562244 ANYDLAWNQYAGIH-ZDUSSCGKSA-N 443.297 4.722 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N(Cc3cccc(F)c3)C3CCCC3)CC2=O)cc1Cl 1124867308 CZIKPRNDQCUKOT-GOSISDBHSA-N 439.918 4.675 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CCCN1C(=O)OC(C)(C)C 1125479599 HGLZDILDWNSDAB-FQEVSTJZSA-N 437.418 4.578 30 10 IJEE C#CCCCCC(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1128072630 UVGIFRBOXBTFGE-DHIUTWEWSA-N 426.601 4.945 30 10 IJEE C=CCN(C(=O)c1ccnc(Oc2ccccc2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1128110876 FRPTXHZCLSBEIZ-HSZRJFAPSA-N 430.504 4.677 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)OCc2ncsc2Br)c1 1129983412 AVQMCKDIWULMGX-UHFFFAOYSA-N 429.295 4.713 30 10 IJEE CC[C@@H](C#N)N(C)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1130232155 HOCYQIYTGJZVLU-SFHVURJKSA-N 437.927 4.603 30 10 IJEE C#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C1CCOCC1 1131256662 DWAJXBAJUGIYNW-LJQANCHMSA-N 430.913 4.558 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1 1162133578 NAOFLUWZLAAFHP-UHFFFAOYSA-N 447.882 4.925 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1167495360 DVNSSYFPYMOHTF-PZJWPPBQSA-N 440.613 4.519 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1186025361 CJQBOBMFJGDMKT-LLVKDONJSA-N 436.377 4.978 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 1198966051 PRZDSJAYFXXZQJ-XMMPIXPASA-N 427.504 4.770 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 1208682892 IYYPVNJFUISVBF-UHFFFAOYSA-N 425.579 4.842 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 1209118083 RSIIMFUCTCDQPS-UHFFFAOYSA-N 426.519 4.650 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c1 1215117125 AVGFVKYWOBIMNU-HXUWFJFHSA-N 441.484 4.754 30 10 IJEE C#CCN(C(=O)Nc1ccccc1OCCF)[C@@H]1CCOc2ccc(Br)cc21 1218411882 ZKOBWJOYUHHFPQ-GOSISDBHSA-N 447.304 4.788 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1)c1ccc(Cl)cc1 1222227690 GZEODVSXONQLLX-XMMPIXPASA-N 445.950 4.752 30 10 IJEE C#C[C@@H](NC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1 1230489421 PWZBGVSJFKBTBI-YKSBVNFPSA-N 426.944 4.613 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2(C3CC3)CC2)c1 1266446242 MTRXCGUNWYKWSQ-UHFFFAOYSA-N 444.984 4.641 30 10 IJEE C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1(c2ccccc2)CCCC1 1269457277 GVLQLMARNADZMM-INIZCTEOSA-N 427.342 4.716 30 10 IJEE C=CC[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(Cl)c(Cl)c1 1270234898 GNCFCKGTTQNXSM-IBNJYYFUSA-N 439.339 4.655 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1ccsc1)N(CC)CC 1286279826 QFFBTNYCIAJRMY-XMSQKQJNSA-N 437.613 4.556 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1286318304 NCWFVPFMJUGOQE-OALUTQOASA-N 426.586 4.588 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccccc1C 1286437612 JWLBEWGOKFTDGN-GOSISDBHSA-N 434.609 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC1(SC)CC1 1286520432 JXTOIZNUCYTHAW-LJQANCHMSA-N 431.403 4.595 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(F)(F)F 1286550242 CMAYGLXTOHPNAR-VKJFTORMSA-N 442.457 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC=CO1 1286565548 DMPZPBXUNAFSOL-KRWDZBQOSA-N 447.377 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(SC)CC1 1286582030 QBLVFGVGPNLZPY-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286600776 HRONAQVOCSTKQW-VQTJNVASSA-N 425.621 4.650 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccccc1F 1286635427 RTJKYVPMSDOZJL-MLGOLLRUSA-N 438.841 4.830 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286682993 ZFRZCSHJALCWPA-UHFFFAOYSA-N 439.995 4.771 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@@H]21 1286686258 DYNNGSQNBZULDC-PMACEKPBSA-N 429.609 4.738 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(COC)CC1 1286704318 PRXPJWVPIFEJBY-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)Sc2ccccc2)C1 1286809487 SUAJQFLTGCNZOH-UXHICEINSA-N 435.597 4.611 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1286826358 FTEFXNFOVSSVTN-XMMPIXPASA-N 426.630 4.779 30 10 IJEE Cc1nc(CCn2c([C@H]3CCCCO3)nnc2N(CCC#N)CCC(C)C)sc1C 1289141286 BSPNCDWCZSMUAR-LJQANCHMSA-N 430.622 4.602 30 10 IJEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)C1 1296917796 FAOYHMPELDYZKP-BYUXKFDVSA-N 437.588 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1300918703 FYACMNFENCAWJV-RTBURBONSA-N 444.693 4.793 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CC[C@H](OC)C(F)(F)F)CC1 1301129984 JWIUWAHAFRBGSM-FQEVSTJZSA-N 447.505 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1301145812 HSVJUEFREMKEPR-FQEVSTJZSA-N 434.588 4.902 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1301306092 ZFUGGTQBHQRUDV-NZQKXSOJSA-N 426.605 4.535 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nccn1C(F)F 1301372375 LDBNITTYWCACKT-UHFFFAOYSA-N 435.482 4.620 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(C)(F)F 1301397085 LXRMADWFNJGNGD-INIZCTEOSA-N 425.524 4.574 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1303635138 AMDLSBGMUWOFDE-HNNXBMFYSA-N 433.585 4.967 30 10 IJEE C[C@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1304987897 CQEKNUBLHSAAKU-YJBOKZPZSA-N 437.498 4.608 30 10 IJEE CCN(CC)c1ccc(-c2nnc(SCC[C@@](C#N)(C(C)=O)c3ccccc3)n2C)cc1 1307275844 GPLWFRXJUWEDFT-RUZDIDTESA-N 447.608 4.861 30 10 IJEE C=CCN(CCOc1c(Br)cccc1Br)CCc1ccco1 1307623292 YLEQNGTUBBPWTE-UHFFFAOYSA-N 429.152 4.914 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 1310743093 IMRIXXCYZQRJFB-UHFFFAOYSA-N 447.963 4.509 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1312365860 KXGRNCNGCNJDKT-IOMROCGXSA-N 433.568 4.963 30 10 IJEE N#CCOc1cccc(CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)c1 1318471994 QTSYORMVIGGBCB-UHFFFAOYSA-N 425.279 4.613 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 1352552419 JEJDDYTZAZDZEM-UHFFFAOYSA-N 441.528 4.996 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)c3cccc(OCc4cccc(Cl)c4)c3)n2)cc1 1354673070 BOKVDOVRCSTHDT-UHFFFAOYSA-N 443.894 4.683 30 10 IJEE CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1354962665 GAQMAKKMDONONW-CQSZACIVSA-N 436.726 4.530 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2[C@H]1C 1358936701 VGIAPRNOLUAQPD-KNQAVFIVSA-N 449.599 4.887 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nc(C)c(C)s1 1358974011 NSJOBJJEJQJMDP-UHFFFAOYSA-N 447.608 4.564 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccc(OC2CCCC2)cc1 1358996559 JDTBVOKTIBKAET-UHFFFAOYSA-N 444.604 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](CCC)C1 1359092792 GJDCQPRHCOZYRN-JBACZVJFSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1359132172 PEEMACUDMUZROA-HSZRJFAPSA-N 433.600 4.859 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC[C@H](C)C1 1359254010 BCABPGQEHHIJCP-LEWJYISDSA-N 448.615 4.595 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2ccccc2C1)C(C)C 1359265348 DFUKYTVGEQHEBE-LOSJGSFVSA-N 449.643 4.781 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(C)(F)F)C1 1359314146 WUNJOIKMVIYBLX-QAPCUYQASA-N 440.922 4.898 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@@H](C)C#N)C1 1360007872 HOKLQUFOKVLREJ-PMACEKPBSA-N 434.588 4.655 30 10 IJEE C#CCN(C(=O)Cn1cc(C)c2ccccc21)[C@H]1CCOc2ccc(Br)cc21 1360557333 VGEQNMLURZUECI-NRFANRHFSA-N 437.337 4.698 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 1446033490 LUZZBJNDUVSGME-GOTSBHOMSA-N 436.552 4.598 30 10 IJEE CC1(C)CCCN(C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)[C@H]1C#N 1449061031 GHZFIUKAONYUBU-NRFANRHFSA-N 436.943 4.809 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(C#N)ccc2Br)C1 1460261477 CUGKEDKVQTZXHV-SFHVURJKSA-N 442.357 4.777 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 1463562401 DONXKLKVWBMRGL-UHFFFAOYSA-N 438.936 4.612 30 10 IJEE CCn1cc(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cn1 1465771245 BGCIAEMPKGJVPK-UHFFFAOYSA-N 429.402 4.907 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 1466816806 ONVAOSZLDJPDRN-WHDAMIPWSA-N 437.359 4.634 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(CCC)C1CCN(C(=O)OC(C)(C)C)CC1 1470490431 HYXDKWOTOIDGAN-OAQYLSRUSA-N 429.605 4.995 30 10 IJEE C=CCCC[C@@H](NC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12)C(=O)OC 1471895025 IJTLHDBANBBEJM-JOCHJYFZSA-N 434.536 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507529808 RFRGYXXWIJCKIB-QFBILLFUSA-N 445.995 4.606 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1507593892 JDIJLKVCLCNUDO-NRFANRHFSA-N 436.581 4.703 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cccs2)CC1 1507899039 ZOETWOBHPFVADS-UHFFFAOYSA-N 446.418 4.753 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC1CC(F)C1)c1ccccc1 1507927731 CDMNQJLIAXSDQZ-APKLWFBNSA-N 436.579 4.684 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 1507957092 VIYZEAUXYLBPJT-UHFFFAOYSA-N 429.584 4.521 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC1(C)C 1507959078 MADFNMMLGKZLLG-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1cccc(C(F)(F)F)n1 1508002344 FNGOZSMXEPJUPN-LJQANCHMSA-N 443.473 4.784 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC12CCC(CC1)C2 1508010313 QMDVXLKXRJKTMW-UHFFFAOYSA-N 439.991 4.620 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)C1 1512102048 HGJHANMTTVDXPZ-WLRLJWMZSA-N 425.552 4.882 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 1520902934 HMABIJBLEJZMND-UHFFFAOYSA-N 447.966 4.995 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(Br)cc(N(C)C)c2)C(F)(F)F)cc1 1521344014 NYEPYDZPFAQOCT-QGZVFWFLSA-N 426.232 4.957 30 10 IJEE C=CC[C@@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 1521366793 QKQOIFPQLFRRKA-HXUWFJFHSA-N 427.547 4.839 30 10 IJEE C=CCN(C(=O)/C=C/c1ccccc1OC(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1522958341 DFVCVIZKZGKKBG-JWHUVLAVSA-N 447.453 4.787 30 10 IJEE C=CCCSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1527931804 CMFLLAPFUJHYHJ-INIZCTEOSA-N 432.508 4.697 30 10 IJEE C#C[C@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(Br)cc1 1528080236 HFRBZYAVVHUDFN-KRWDZBQOSA-N 445.313 4.728 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(Br)ccc1C 1528415654 IQRDOHVXKJWIDS-UHFFFAOYSA-N 426.108 4.732 30 10 IJEE C=CCN(C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1)[C@H](C)COC 1532291006 PFDPVYINPRTCLK-MRXNPFEDSA-N 448.357 4.700 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)C(C)(F)F)nnc1-c1ccc(Cl)cc1 1535500634 MPHGXCQBPROXMM-UHFFFAOYSA-N 428.936 4.674 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1nc(Cc2ccccc2Br)cs1 1536597286 SNYDKPARFQFUAD-UHFFFAOYSA-N 430.327 4.709 30 10 IJEE C#CCSc1ccc(COC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 1538704159 IZUYFRUYUNTZRH-UHFFFAOYSA-N 436.554 4.743 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1538994591 FUQMQPLYTHUGMC-SPEDKVCISA-N 437.588 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(-c2ccsc2)nc1 1539035766 ULTMBNHTFZALQC-UCNVEGJOSA-N 449.624 4.826 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1539111502 WSGPNKLTDXXDER-UHFFFAOYSA-N 446.452 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H]1C 1539319794 GWZUHQSEZCMARS-ROUUACIJSA-N 425.374 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCOC 1539620752 NIUACTRTDGJFLS-IRLDBZIGSA-N 426.605 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1CCc1ccc(OCC(F)(F)F)nc1 1539667724 MMZPNNSYXNPLCJ-UHFFFAOYSA-N 437.510 4.917 30 10 IJEE C=C1CCN(c2nnc(-c3cccc4cccnc34)n2CC(F)(F)Br)CC1 1539842532 UUVRPFXVGVRBNR-UHFFFAOYSA-N 434.288 4.637 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C(=O)NCCC)CC1)c1ccccc1 1539939590 JANQSISKKBJXBD-QHCPKHFHSA-N 435.616 4.648 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1Cc1ccc(Cl)nc1 1540121358 RQDOYQJFHOADQD-UHFFFAOYSA-N 425.964 4.775 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCC1 1540136276 GDZPETLSNLHKAT-NRFANRHFSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCc1cccc(OC)c1 1540142361 JZRROSIBBLIBSD-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1cscc1C 1540180928 ZFPQVSXGIQYMIG-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540853867 TUFLPOTYKKBTOB-CMKODMSKSA-N 429.996 4.547 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)c1cccc(C)c1 1540864580 FGQYIMGSMIEALB-QGZVFWFLSA-N 435.597 4.510 30 10 IJEE C[C@@H](CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCSC1)c1nccs1 1541827862 DFJHSMGAWANUDH-FUHWJXTLSA-N 438.626 4.656 30 10 IJEE C#CCN(C(=O)c1cc(Cl)cc(C)c1N)[C@H]1CCOc2ccc(Br)cc21 1543685207 ATBOMFALLXKEFN-KRWDZBQOSA-N 433.733 4.592 30 10 IJEE C=CCc1cc(C(=O)N(C)c2nc3cc(Br)ccc3o2)cc(OC)c1OC 1544369538 DSSNPMYBHHSRMP-UHFFFAOYSA-N 431.286 4.613 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSC[C@H]2C)CCCC1 1546153941 GDWFPBGVELXSSC-GOSISDBHSA-N 425.602 4.641 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 1557349157 YSQBDZRDKMFXFI-UGSOOPFHSA-N 427.372 4.864 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)OC 1558381396 ISLRXHRSKOYRRM-PMACEKPBSA-N 446.341 4.583 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1559307564 LCYAHZPSTCLNOV-DOXZYTNZSA-N 447.670 4.800 30 10 IJEE C=CCn1c(SCC[C@H]2Sc3ccccc3NC2=O)nnc1-c1ccccc1OC 1559321084 CFHWWOFDRWFDCF-LJQANCHMSA-N 438.578 4.735 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)O[C@H](C)C2)nc2scc(-c3ccccc3)c2c1=O 1559330862 SPFGOASRRVHSHD-CALCHBBNSA-N 441.622 4.512 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Br)c(C)cc1OC)c1ccc(F)c(F)c1 1561487854 TWUSJZSOJRMNQS-GOSISDBHSA-N 446.313 4.640 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 1562691420 AOJSTHVLHHYICM-MRXNPFEDSA-N 435.337 4.680 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](C)Oc3ccccc3Br)cc21 1563315371 JTGIVDDCLFQKLX-AWEZNQCLSA-N 429.318 4.574 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1563359036 RUHMPSWAGPIPGZ-UHFFFAOYSA-N 437.927 4.779 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCCC1(C)C 1564041793 LVYZYAVALKBQAS-RBUKOAKNSA-N 435.515 4.560 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2C1 1565592632 HPJZBPGYICIQAA-UHFFFAOYSA-N 429.517 4.741 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccc(Cl)cc1F 1568898259 OTYRTUNCLIHZOJ-WMLDXEAASA-N 439.701 4.630 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1C#N 1569419993 HMFKILJOBDZHFL-UHFFFAOYSA-N 441.123 4.841 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 1570290169 JYYJXFIFBNDADY-NRFANRHFSA-N 436.543 4.996 30 10 IJEE C#C[C@H](NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)c1ccc(Cl)cc1 1583550373 YKROFFLCDOPZSV-GDUPUGJQSA-N 445.935 4.544 30 10 IJEE C=CCC1(C(=O)N2CCOc3c2cc(Br)cc3C(F)(F)F)CCOCC1 1585287843 NRTHBANVHGBMAZ-UHFFFAOYSA-N 434.252 4.566 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nn(-c2ccccc2)cc1Br)c1ccc(F)c(F)c1 1585439112 NRZWDWHDEXFPIL-GOSISDBHSA-N 432.268 4.960 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCc1ccccc1 1587575363 UHMYSQQIKGCOQB-INIZCTEOSA-N 426.362 4.517 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@@H](SC)C1 1587749417 HCHFNZZGSPBAEV-JOCHJYFZSA-N 434.613 4.656 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1588310183 SZLXLBFRBAZMEA-LADGPHEKSA-N 429.568 4.584 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1593900564 OLNNBYHNDHMBAH-INIZCTEOSA-N 434.034 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](OC)C1 1594456201 ZWUQPDIYFSYSKU-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 1594572876 MBZBIYYOAVFPTD-FQEVSTJZSA-N 435.538 4.861 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H]1C 1594793892 ULXXRVGIERABSK-CQSZACIVSA-N 439.785 4.942 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc(-n2cccn2)cc1 1595244310 ZGLVLTWQVNLCET-UHFFFAOYSA-N 430.556 4.638 30 10 IJEE Cc1cc2nc(C)c(CCC(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)c(C)n2n1 1598303240 ASTZEPZBEPFIGV-HNNXBMFYSA-N 443.473 4.547 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 1603421642 IIZQCFCWJRKHOU-UHFFFAOYSA-N 434.561 4.667 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N4CCO[C@H](C#N)C4)n3CCCC(C)(C)C)cc2C1 1612734766 DQNSXEHMYQVQIV-FUHWJXTLSA-N 427.618 4.686 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 1613215817 XPGNVJLAPMHKNA-HXUWFJFHSA-N 438.572 4.756 30 10 IJEE C=CC1(CC(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)CCCCC1 1618001873 MMYSWMGXWVEOMB-UHFFFAOYSA-N 443.389 4.500 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1csc(-c2ccccc2)n1 1620699793 SIVTYUSUAUNEDI-UHFFFAOYSA-N 427.367 4.917 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1Cl 1622076862 IEKYEARHWSBDOZ-KRWDZBQOSA-N 443.725 4.639 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)cc1 1623086697 RKGJCGGNJKTHQD-JOCHJYFZSA-N 437.540 4.866 30 10 IJEE Cc1csc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)c1C#N 1624564116 FCJZUTCNVFOJSP-INIZCTEOSA-N 432.505 4.648 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc2ccc(C(F)(F)F)cc2nc1O 1629218165 HIXCCWHQZINLLM-UHFFFAOYSA-N 438.327 4.760 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)cc1 1631140378 AEQRYGYCVICJDK-UHFFFAOYSA-N 440.584 4.833 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1 1633571464 KEPOIRSNYKBMQN-VQTJNVASSA-N 446.979 4.529 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1OC 1635056411 ACDRYVOQIZXZGG-ZZLBYYGFSA-N 448.485 4.711 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cc3cc(Br)cc(Br)c3o2)CC1 1635151878 WUAPPCFPTZJRFG-UHFFFAOYSA-N 443.135 4.501 30 10 IJEE COC(=O)[C@H](Cc1ccc(C)cc1)SCC(=O)Nc1ccccc1SC[C@H](C)C#N 1641096288 FTGKWEKMKHOEOS-UTKZUKDTSA-N 442.606 4.703 30 10 IJEE C=CCn1c(SCC(=O)NCCOc2ccc(C(F)(F)F)cc2)nc2ccccc21 1643389071 RNCRVWMAGTWZDK-UHFFFAOYSA-N 435.471 4.528 30 10 IJEE C=CCN1CC[C@@H](N(C)Cc2ccc(Br)cc2Oc2ccc(C)cc2)C1=O 1648194465 NMXDOWQIJRAFFN-HXUWFJFHSA-N 429.358 4.769 30 10 IJEE Cn1cc(CN2CC(Cc3cccc(OC(F)(F)F)c3)C2)c(-c2ccc(C#N)cc2)n1 1659405589 AQWPMVWOLMYXKN-UHFFFAOYSA-N 426.442 4.532 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(F)cc1Br)c1ccc(Br)cc1 1667957011 UXNGBVQTMFBSBD-AWEZNQCLSA-N 426.083 4.847 30 10 IJEE C=CCN(CCc1ccco1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1668290724 WOLQRDFHZRTZEG-UHFFFAOYSA-N 439.158 4.768 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NCC2(c3cccc(Br)c3)CC2)c1 1674197157 BLOBXZNJPMZQEH-UHFFFAOYSA-N 436.256 4.775 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)c1ccc(Cl)cc1 1675495846 CVBNNGHWLADMFQ-FCHUYYIVSA-N 425.960 4.549 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(F)cc1 1680225277 PZAYWMRFGQCYIO-RTWAWAEBSA-N 429.333 4.973 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 1681091028 XXLCMOVOYXQADW-XMMPIXPASA-N 432.545 4.599 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1ccccc1 1682356851 OGGZPDJFNRSIOV-RBUKOAKNSA-N 425.326 4.869 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(CC)Cc2cc(C)c(OCc3ccc(C)cc3)c(C)c2)C1 1687593230 LUBHBZIXDLUJJX-SANMLTNESA-N 447.623 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)CCC(C)C 1689829164 WCPCJJXHMLUEQL-IUKKYPGJSA-N 432.996 4.717 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)Cc1cccs1 1690009811 KOOMVBCBFGHTNI-LJQANCHMSA-N 425.561 4.506 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1690157291 CRSKDPKFZMLPDZ-UFYCRDLUSA-N 442.604 4.940 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(C)(C#N)CC1 1690250910 MYTBJMVNFMSJMZ-LADGPHEKSA-N 433.600 4.565 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccsc1 1690305014 UQOLCRQQVREJKN-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCOc2ccc(F)cc2)CC1 1690413147 IRNUVCRYDYULHT-UHFFFAOYSA-N 441.576 4.644 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1690631030 HJZRKQKPMJXAEN-MRXNPFEDSA-N 436.869 4.841 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CC(C)(C)C2)C1 1690688163 PTVXNYRTXATTPT-IBGZPJMESA-N 432.515 4.764 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1)c1cccnc1 1691579250 BOHDMOFPIGENIZ-ZEQKJWHPSA-N 439.567 4.782 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@H](SCC)C1 1705525448 JGVKLSMGHAWGER-INIZCTEOSA-N 436.423 4.561 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCc1ccc(Cl)s1 1705545090 OOXALJHFJBNFGB-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(O)CCCC1 1705671338 GEFDYEVWROUBJN-RUZDIDTESA-N 436.600 4.667 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCc1ccccc1 1705682700 IJDSJVSJDIGTAR-UHFFFAOYSA-N 446.780 4.971 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)CCOC)CC1 1705778142 LHRWEGNMSLPYFA-UHFFFAOYSA-N 436.398 4.501 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1705807716 MDBFBGRIFQXUHU-UHFFFAOYSA-N 442.913 4.772 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705823507 NMBOKQIKCYUNDI-MOPGFXCFSA-N 428.602 4.551 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705847921 BPBXOHBSUSZNCJ-NFBKMPQASA-N 426.605 4.883 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cccs2)C1 1705928315 OOOZLYZXWSDWEW-SFHVURJKSA-N 426.611 4.770 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(=C)C 1705949887 MBORMGFTBZZWHV-SFHVURJKSA-N 435.638 4.672 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2C)cs1 1708995884 GIICMZKOGXRIQW-UHFFFAOYSA-N 434.594 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCc1nc2c(s1)CCCC2 1722276107 GYMWBQCOZCKLGF-AZUAARDMSA-N 433.625 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(F)cn1 1722281815 ZJDHCCYZAWZQQF-IRXDYDNUSA-N 441.938 4.729 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1coc(-c2ccc(C)cc2)n1 1722298437 ZZIZDNAVHPTXPZ-SFHVURJKSA-N 431.565 4.594 30 10 IJEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1722334998 NXCJMFLJHUQBEP-OAQYLSRUSA-N 449.624 4.748 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2CCCCC2)CC1 1722434628 SQJXXUBWPMYFTF-UHFFFAOYSA-N 432.399 4.587 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H]1C 1722497731 ZWLUYJDTHOFOSV-YZLZLFLDSA-N 445.405 4.924 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccnc(SC)c2)CC1 1722572399 QKGODDCJACAVQN-UYAOXDASSA-N 427.618 4.518 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OCC(C)C)cc2)CC1 1722581678 BJJZJHAMICFLRJ-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1722605106 VSXONPOBNXKKLM-FQEVSTJZSA-N 433.641 4.916 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1722653533 GNOMGMHZDVSJQS-OALUTQOASA-N 444.023 4.786 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCc1nc(C(F)(F)F)cs1 1722657297 XCRIAFMDVDIBHN-UHFFFAOYSA-N 446.502 4.623 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722661260 YPCCJRGAQKPAOB-LJQANCHMSA-N 449.624 4.883 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](C)N(C)c1ccccc1 1722662014 BRWNFQCIJWTIQK-LJQANCHMSA-N 445.596 4.514 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]2CCC[C@H]21)C(C)C 1722665153 KNWPUXNQWJNWQJ-QPTUXGOLSA-N 434.632 4.808 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](C)(OC)CC1 1722743134 RGWCOAPUTXASLZ-DEOSSOPVSA-N 444.645 4.789 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@@H]2CCCC[C@H]2C)C[C@@H](C)S1 1726670782 GUXFWDQQLQHHHL-JPAWQOSXSA-N 439.629 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1c(C)noc1C 1740540000 XEHANNBYMXPMCQ-KBPBESRZSA-N 442.361 4.574 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H]1C 1740765211 RLMRNYLDKBHYBQ-IEBWSBKVSA-N 429.996 4.700 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCCC1 1740914820 LCKNRYJUIUGZHR-UHFFFAOYSA-N 444.583 4.785 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740919667 OGJFUIRESZMLCX-QGZVFWFLSA-N 431.556 4.646 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@](C)(CC)O1 1740921000 IQCDNBBZABQMGB-OTPAQWSUSA-N 442.579 4.852 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCOC2(CCC2)C1)C(C)C 1740927135 RKFWQLMJCKUJOW-DEOSSOPVSA-N 449.643 4.711 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(C)(F)F 1740936053 GAWOWQGXWTWFDJ-UHFFFAOYSA-N 444.482 4.590 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740999718 DMDFEGFYCWRBHB-OAQYLSRUSA-N 439.629 4.607 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](c1ccco1)N(C)C 1748686281 MHJFBJOUDUINFR-KNQAVFIVSA-N 449.599 4.508 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](CC)C1 1748738713 MZZPBSNULDXACO-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC([C@H]2CC2(F)F)CC1 1748743748 JYGVFBSINGUNCQ-QGZVFWFLSA-N 449.343 4.993 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2sccc2C1 1749040172 PVSDRTMYSJCHBS-UHFFFAOYSA-N 429.014 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Cl)cc1 1749126663 FPIGIMXBSROBKK-SIKLNZKXSA-N 439.991 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N1CCC(C)CC1 1749152807 HUCYQSIXUOMICE-OAQYLSRUSA-N 434.632 4.960 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCCCC1 1749170859 LRQBYJRWKSISIN-NHCUHLMSSA-N 431.669 4.864 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1749236034 ZHJZOSIBDIRSJQ-QFIPXVFZSA-N 445.007 4.835 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1749252543 DFYVRDQQQXASQL-HUUCEWRRSA-N 429.977 4.743 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1749296036 DWEYHTNIAAKYKQ-NHCUHLMSSA-N 432.616 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1749364534 UGZHFOQRVMLZHQ-RTBURBONSA-N 448.615 4.930 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)cc1 1749443289 XZNCWYGRKHPSAZ-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1CC1CC(C)(C)C1 1749529308 BTBWYHAGCHXABB-UHFFFAOYSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CCCNC(=O)OC(C)(C)C 1749538895 PJOCTIGWXVAMGD-UHFFFAOYSA-N 425.577 4.653 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC2(CCCCC2)O1 1760122863 UAEJUQJZKDZYJR-FCHUYYIVSA-N 436.600 4.814 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C1CCCCC1)N(C)C 1760124935 MYLJYZFAMGRHPT-NZQKXSOJSA-N 439.673 4.847 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(CC)CC1 1760198048 VPFOIBNAQWQCGN-UHFFFAOYSA-N 431.765 4.624 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1760258541 NVBLJCJDFHWAOM-DHIUTWEWSA-N 449.643 4.561 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(C)C)C1 1760278407 UBEIJODHZQGXPR-KRWDZBQOSA-N 447.446 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1Cc1cc(C(C)(C)C)no1 1760340861 QKMLRPRONCDENS-UHFFFAOYSA-N 427.524 4.732 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cccs1 1760345840 WRZZQPLEMGLBKU-UHFFFAOYSA-N 431.606 4.667 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1scnc1C)c1ccccc1 1760417560 FKMWPRGZYDNLGY-SFTDATJTSA-N 437.613 4.933 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1760419977 GYABTCPAQRQFGP-NRFANRHFSA-N 428.540 4.557 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1760424487 JLAOORGONZVSFX-IBGZPJMESA-N 440.523 4.525 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1760445278 FJUNIGXCIOFGAF-UNMCSNQZSA-N 437.588 4.509 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)c(OC)c1 1760468831 JMRBPHQLASCRQK-YLJYHZDGSA-N 432.996 4.724 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)Cc1cccs1 1760495045 DBQLNLDOKLSVJL-XMSQKQJNSA-N 436.581 4.909 30 10 IJEE CC[C@H](Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@](F)(C#N)C1)OC 1762325666 DWTHMSMGUWJUID-CDMIOBSGSA-N 449.958 4.555 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CCOCC1 1764399075 GPSICBJYYUQFLZ-GOSISDBHSA-N 441.551 4.504 30 10 IJEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@@H]1C 1765515615 CCVUGJXOPWSMNR-AZUAARDMSA-N 442.558 4.563 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC1(C)C 1768633398 FYOVINQCEJOULL-MRXNPFEDSA-N 439.361 4.590 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)c1C#N 1860651305 ZNRCSIBAGUCZJA-INIZCTEOSA-N 444.000 4.990 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(O)c(O)c1 1862385637 UOLRJNLUZMFQSX-MLCYQJTMSA-N 436.291 4.781 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCN(C)C)cc1 1862432348 BZZSVTCBUMVXJY-JOCHJYFZSA-N 440.971 4.993 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1Cl)c1ccc(Br)cc1 1862470668 SYBBCHDKRINPSJ-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862484496 OCMWHXBPETZHFL-BFUOFWGJSA-N 429.900 4.739 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc2ccccc12 1862593439 TUQYMGCIKAEPCM-HSZRJFAPSA-N 431.488 4.550 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1ccc(F)cc1 1862625611 KQKNLJVSDHIPJG-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 1862627425 MPPSGAPZVHAAHJ-JPEVHGAISA-N 437.467 4.711 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(O)cc1 1862639316 VVNVRCJTKOLIOL-NRFANRHFSA-N 427.472 4.699 30 10 IJEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccccc2)cc1 1862731206 OQDAUMVYZIUAEK-HSZRJFAPSA-N 437.536 4.606 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862759744 XQASCHNYIRVSED-YCRPNKLZSA-N 438.480 4.760 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(NC(=O)c3cccs3)c2)=C(c2ccc(F)cc2)C1=O 1863153180 OSNLELJIHMOGSW-UHFFFAOYSA-N 447.491 4.518 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863238108 GYLYOFQBIVCGAW-UHFFFAOYSA-N 442.475 4.549 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCc2ccccc2)C1=O 1863663597 IEYNKTKSVUNIMS-UHFFFAOYSA-N 434.580 4.968 30 10 IJEE COc1cccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCc4nc[nH]c4[C@@H]3C)n2)c1 1868516668 WMBMGKPFXJVAHY-INIZCTEOSA-N 437.507 4.614 30 10 IJEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CSc1ccccc1 1870175337 MPISBGUXWBWXOE-UHFFFAOYSA-N 431.517 4.554 30 10 IJEE CCCCOc1cn(CCCCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870182200 FNQQBOOPSYTRTR-UHFFFAOYSA-N 443.613 4.674 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1Cc1ccc(OC)cc1 1870622641 OLDBNHJXDZQSAN-UHFFFAOYSA-N 444.575 4.967 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1cccc(F)c1 1871148277 RYGHPOPJYRSARC-UHFFFAOYSA-N 432.536 4.902 30 10 IJEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCCN3CCCC3)CO4)C2=O)cc1 1871348767 MPVTUGJDROQEDP-UQQQWYQISA-N 432.564 4.893 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1 1871381651 ANUACQJTUFWOAL-XKZIYDEJSA-N 432.403 4.895 30 10 IJEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1O/C(=C\c1ccco1)C2=O 1871390557 BUCKJCXWJVSJSE-BKUYFWCQSA-N 432.428 4.985 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)C(=O)Nc1ccccc1 1871405852 QZKUDCNNRIITBM-VUZLNAKASA-N 430.416 4.617 30 10 IJEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871409399 NGXGGTNTYKSTEI-GEWRUKCFSA-N 444.443 4.925 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 1871448673 VMECOMPNKWWHFV-GEWRUKCFSA-N 444.443 4.925 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)nc(Nc2ccc(CC)cc2)[nH]1 1871584564 PCKOWPWUDQTZFK-UHFFFAOYSA-N 428.584 4.741 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872436403 FTWFTOWGNJVEOP-KKSFZXQISA-N 434.989 4.879 30 10 IJEE CCOC(=O)c1sc(C2=C(N)N(c3ccccc3C(C)C)CC2=O)nc1-c1ccccc1 1872796070 KVCGDNZDHDJILN-UHFFFAOYSA-N 447.560 4.827 30 10 IJEE CCCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2Br)C1=O 1873250209 NOSUIDKGGUJUFR-UHFFFAOYSA-N 438.325 4.703 30 10 IJEE N#Cc1cccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3ccccn3)C2=O)c1 1873335900 PPJHPPSOPSRGRP-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)/C=C\c1ccc(Cl)cc1 1873710824 VRKBQYKRFLLCNW-XFXZXTDPSA-N 437.952 4.743 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OC)cc1OC 1874476817 ZBVDIUVBTPDDAE-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CCC2)cc1 1874497321 FGGALDDYIUVNEX-CVLFLDGLSA-N 447.608 4.960 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COC)nnc1SCc1ccc(Cl)cc1 1874503279 ZRPOEZAOOBYVAI-YDZHTSKRSA-N 428.945 4.817 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C1CC1 1874516626 FZVJLZRWIIYBQO-BUVRLJJBSA-N 435.553 4.557 30 10 IJEE CCc1ccc(NC(=O)CSc2nncn2/N=C/c2c(Cl)cccc2Cl)cc1 1874536425 CYZFZTCLDVTPHD-AUEPDCJTSA-N 434.352 4.760 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2/N=C/c2c(Cl)cccc2Cl)o1 1874537065 LAABLFNLUHORQJ-ODCIPOBUSA-N 425.297 4.529 30 10 IJEE CCCOc1ccccc1/C=N/n1c(S)nnc1CCCOc1ccc(Cl)cc1 1874569842 HMFFUYWEUCBXES-HZHRSRAPSA-N 430.961 4.903 30 10 IJEE CCCOc1c(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Br)cc1OC 1874581703 BMEUUGDQUYVCTL-GQCTYLIASA-N 433.298 4.914 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1[N+](=O)[O-])NC1CCCCC1 1874608891 MSOZRVQEJNOCPT-ZRDIBKRKSA-N 442.899 4.972 30 10 IJEE COCCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2C)c(Br)cc1OC 1874703526 UJPLNAYJQGCGHX-BQYQJAHWSA-N 447.325 4.913 30 10 IJEE CN[C@@H](CC#CCOC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875686124 JKVCRVQWPPCSDA-LBNVMWSVSA-N 445.559 4.506 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCC#N)C1 1900622821 ZOOSYXCCCIEHGI-RUZDIDTESA-N 445.563 4.702 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](O)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C 1922058619 YXAYLKKDULKPFM-GJZUVCINSA-N 448.648 4.772 30 10 IJEE CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 1962825405 PFJDRKYQKINUPP-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE C#C[C@H](C1CC1)N(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1993836601 VSESWLNCWIKMHB-IHMJZKOGSA-N 444.575 4.810 30 10 IJEE COc1cc(C=NN=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)cc(OC)c1 2053614573 YXESWTHQLXDHCY-UHFFFAOYSA-N 431.536 4.572 30 10 IJEE C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4C(=O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 2054623569 FYASCXLQDJNFAF-NWMRBKTJSA-N 428.613 4.893 30 10 IJEE COc1ccc(Cn2nc(C(C)(C)C)c(C#N)c2Br)c(Br)c1 2080277984 QVYRJLVZAAFWQF-UHFFFAOYSA-N 427.140 4.634 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3ccc(C(F)(F)F)cc3F)nc12 2081251566 XWOCYIACBBORDV-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE N#Cc1ccc(Br)cc1N[C@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156285353 RMOAKPNCTRWRNB-IRLDBZIGSA-N 426.358 4.556 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2201017744 VBLVMKZCRJBNMF-RTBURBONSA-N 439.394 4.805 30 10 IJEE CCCN[C@H](C#CC(C)(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2213312700 CGKGGDIVAATPMI-ATIYNZHBSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](N)C#Cc1ccccc1Br 2232125750 WUTMZLZYWLYRGI-IAGOWNOFSA-N 441.435 4.553 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2246714002 BCMKJAITAUZDDT-YADHBBJMSA-N 432.605 4.542 30 10 IJEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)Cc3cccs3)c2)OC1(C)C 2247917784 HDXDDTKJOROZLP-UHFFFAOYSA-N 439.411 4.951 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccccc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267500646 LLUOBGMDWOWINE-UHFFFAOYSA-N 444.381 4.709 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)ccc21 2267581094 NHUJBOKCRRVSIH-MSOLQXFVSA-N 442.365 4.795 30 10 IJEE C=CC[C@@]1(COc2nc(C)c(Br)cc2N)CCCN(C(=O)OC(C)(C)C)C1 2287851543 BAZOFLLYBYFGDN-HXUWFJFHSA-N 440.382 4.707 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2296281234 JIZRCDHXNISHBG-DENIHFKCSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccc(Br)cc2)CC2(CCCC2)C1 2296282241 ULHXPYZWCSAZQD-UHFFFAOYSA-N 432.358 4.987 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2296287641 YSGZPRLJBZRNOH-HZPDHXFCSA-N 449.311 4.577 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2296291610 QMUKKKNAYXZJLN-AZUAARDMSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2296304414 HCVAGZZPJYQKHP-UXHICEINSA-N 435.406 4.862 30 10 IJEE O=C1C(=Cc2ccc(Br)cc2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 2296590735 NOQJVZOGTNCTJX-UHFFFAOYSA-N 449.304 4.812 30 10 IJEE CCOc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O 2297375429 DMJNBXUGNPSWTC-UHFFFAOYSA-N 448.544 4.880 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2298495863 GNHHHDSBXATJRK-CMBDLQSPSA-N 434.541 4.509 30 10 IJEE CCN[C@@H](C#CC1(SC)CCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299660727 PMJWUVXNWRATOD-VXKWHMMOSA-N 446.657 4.754 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CC[C@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2301449609 SQRMVSFDXNIADB-LCIJNYEZSA-N 449.360 4.596 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cccc(NC(=O)OC(C)(C)C)c2)n1 2315393912 KYSZJURYVSQZNW-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE O=C1C(=Cc2ccccc2)Oc2c1ccc1c2CN(C[C@H](O)c2ccc(Cl)cc2)CO1 2322234269 IYMFLTPFALIYEX-NRFANRHFSA-N 433.891 4.842 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)c1 2323222870 AEPGLUFFRQUGRQ-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1ccc(OC)cc1OC)C2=O)C(=O)O 2324778164 YSPOZOCCDWIFFZ-IBGZPJMESA-N 426.465 4.651 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)c1 2325706390 UVHYLOIOKBWRQZ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2325727542 WZPZSOGNPKTBBO-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)cc1 2328360592 FDPBESTTWMLFMZ-UHFFFAOYSA-N 437.500 4.507 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1ccccc1O 2328486124 JZLDEXDYMBLLCN-UHFFFAOYSA-N 445.504 4.657 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)ccc1O 2331150198 IWXQOEBRRBRBAK-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1N=Cc1ccccc1Cl)Nc1ccccc1 2331170395 HXBXKOXNEHYTAD-UHFFFAOYSA-N 437.912 4.805 30 10 IJEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc2c(c1)OCCO2 2331174200 LHLLJBSQAHTUDZ-UHFFFAOYSA-N 432.505 4.792 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)CCOC 2331459619 BEFXBPXGXQDNDF-UHFFFAOYSA-N 436.863 4.724 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)cc1)Nc1ccccc1 2331485729 VIUOVDMXDCZIEH-UHFFFAOYSA-N 425.945 4.812 30 10 IJEE CCOc1c(C=Nn2c(COC)nnc2SCc2cc(C)ccc2C)cccc1OC 2331577614 MSCQIBCHFXWRKB-UHFFFAOYSA-N 440.569 4.623 30 10 IJEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2331592323 VAKOOLLHVKCYDL-UHFFFAOYSA-N 432.472 4.943 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576445 IGRBLHHYFFJKLB-OALUTQOASA-N 444.381 4.798 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339593356 DZEVRGHINRLKIA-CYYVBXFOSA-N 443.397 4.641 30 10 IJEE Cc1ccc(CNC(=O)OC(C)(C)C)cc1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2345014050 WVOPRPWBWWDXLV-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc(OC)c1OC 11185652 QRGHOCWUNNCWON-UHFFFAOYSA-N 432.524 4.670 30 10 IJEE C=C(C)CN/C(S)=C(/C(=O)c1cccc(Br)c1)[n+]1ccc(CCC)cc1 22795999 QFNRFNKTYOAPKK-UHFFFAOYSA-O 432.407 4.794 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Sc2nnc(NCCc3cccs3)s2)CC1 28502539 CENDEZDTXGDSCJ-RDYUPDBUSA-N 449.671 4.666 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(Cl)cc2)Nc2ccc(C)cc2)c1C 32973252 WIAWYLKWDBXFGR-UHFFFAOYSA-N 437.975 4.922 30 10 IJEE O=C(O)/C=C1\S/C(=N\C2CCCCC2)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 33527552 UERFZPHZPSBKCV-VJNSTGJUSA-N 431.945 4.596 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@@H]1c1ccc(Br)cc1 39912074 OSUFKLFNKGIJBE-FQEVSTJZSA-N 438.325 4.893 30 10 IJEE C=CCOc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(C)cc3)csc21 64656714 HNUPJQCIZMCBKL-GOSISDBHSA-N 439.558 4.928 30 10 IJEE N#Cc1ccc(S(=O)(=O)Nc2ccc3nc(SCc4cccnc4)sc3c2)cc1 96399453 DSQNOTRKTSZTDE-UHFFFAOYSA-N 438.559 4.656 30 10 IJEE COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(OCc3c(C)noc3C)c(OC)c1)C2 101371501 YPKSWNVZOYTEJL-QGMBQPNBSA-N 435.476 4.719 30 10 IJEE CCCOc1cccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 102716718 VEMGJBFFOOHGIA-SADKCHQCSA-N 436.439 4.537 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169960182 BSSBEKOAMUNVAV-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C 169975665 CWKVDWGIIBLOFE-HSZRJFAPSA-N 434.580 4.741 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@H]2c2ccncc2)cc1 170020053 HRIZMJKFQSOTIH-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOC(C)C)c1 170035319 ZCNBPFKMBCFRNZ-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE C=CCN1C(=O)C(c2ccc(OCCC)cc2)=C(N2CCC(Cc3ccccc3)CC2)C1=O 170088890 PXGKDMXLHUAIMV-UHFFFAOYSA-N 444.575 4.696 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccco2)c1 170089787 XZMAXSYUAQOUEW-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(C)o2)cc1C 170103367 MLTRUJVGJQOATC-NRFANRHFSA-N 443.459 4.564 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2ccc(OCC(C)C)cc2)C1=O 170154135 FWYCGOHQYVHQDG-UHFFFAOYSA-N 434.536 4.887 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)c1 170162895 YFUUSPZNEXMMEK-LJQANCHMSA-N 440.908 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170192921 QGLSDAWTTBINJW-SFHVURJKSA-N 429.259 4.760 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 170223215 KBEPURCFIYQXNW-QFIPXVFZSA-N 433.410 4.683 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccccc2)cc1 170265350 SKYHOQONZUNBAP-XMMPIXPASA-N 441.483 4.803 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(C)o2)c1 170300158 PLSWQDWFKDGNJR-QHCPKHFHSA-N 429.472 4.923 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(O)c2)cc1Cl 170385587 FEVOQLYPGSKGAH-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccc(O)cc1 170450273 GIGXMXVCRVCMPB-FQEVSTJZSA-N 433.426 4.922 30 10 IJEE CC(=NNS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(NC(=O)c2ccccc2C)cc1 254339545 DJNHKBJXDMQLCV-UHFFFAOYSA-N 449.576 4.875 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 303839059 IRJDBZBSNSCQAD-IAGOWNOFSA-N 427.344 4.875 30 10 IJEE C=CCn1nnc(CSc2ccc(OC)cc2)c1CC(=O)Nc1ccc(Cl)cc1 334161547 BWOOEBWQFRDYOU-UHFFFAOYSA-N 428.945 4.600 30 10 IJEE CC(C)(C)[C@H]1CSC(=Nc2ccc(I)c(Br)c2)N1 393990132 KTKHHTFFFVGNLS-LLVKDONJSA-N 439.160 4.792 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 477292558 NQIKIXOUSHTZGS-SJORKVTESA-N 427.344 4.875 30 10 IJEE C=CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 508846098 QGBMBHZMNAOJMH-HXUWFJFHSA-N 444.457 4.736 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 543873149 GVFZNUGDFPWPRQ-FZKQIMNGSA-N 449.498 4.528 30 10 IJEE C=CCn1c(SCc2nc(-c3ccon3)no2)nnc1-c1ccc(Cl)cc1Cl 545787419 VDBHPUPSAQRWGE-UHFFFAOYSA-N 435.296 4.768 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(Cn2cccn2)CC1 549272749 MEEHUCVWKJZHBI-GOSISDBHSA-N 440.979 4.761 30 10 IJEE COc1cc([C@H](C)NC(=O)NCc2ccc(C#N)cc2F)ccc1OCc1ccccc1 609240214 UPVLISDOVNKSFQ-KRWDZBQOSA-N 433.483 4.845 30 10 IJEE C#CCCCCC[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 686703931 FZNNFPHXAHWVRF-BJKOFHAPSA-N 429.649 4.964 30 10 IJEE Brc1ccc(I)c(N=C2N[C@@H](C3CCC3)CS2)c1 717647572 BEALRPPXMYNPAS-GFCCVEGCSA-N 437.144 4.546 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCC 721930470 WKLCMBAETVDWRB-ROUUACIJSA-N 429.374 4.968 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 766371225 RKPQNIRYXGHSKT-GHTZIAJQSA-N 444.572 4.512 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C 789718779 JNTWWEZRDUIUJU-UHFFFAOYSA-N 434.540 4.705 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCCN1C(=O)OC(C)(C)C 790548685 PWTLWQFSQJWUGZ-XMMPIXPASA-N 439.512 4.816 30 10 IJEE C=CC[C@@]1(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 791776891 IICGNIXNYATGOR-WNSKOXEYSA-N 444.482 4.953 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 796794907 YJNUJSXODQBVBC-BLLLJJGKSA-N 433.291 4.558 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cccc(COC(C)(C)CC)c1C)c1ccc(Cl)cc1 810471996 AHSTYEFHPGTNPZ-HXUWFJFHSA-N 426.944 4.783 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 814635487 CIRYMTPENIIHBC-APWZRJJASA-N 444.601 4.849 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(OCC(N)=O)c1)c1ccc(C)c(C)c1 1124536736 ONBYFCUOUZNIAK-UHFFFAOYSA-N 444.531 4.579 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(Oc4ccc(F)cc4)c(C)c3)cc2C1=O 1125455180 GUGYKQZRKBXPRB-UHFFFAOYSA-N 444.462 4.638 30 10 IJEE Cc1ccc(Br)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 1125715312 HVZHXABLTHUSRM-UHFFFAOYSA-N 440.272 4.995 30 10 IJEE CC(=O)c1cc(C(=O)Oc2c(Br)cc(C#N)cc2Br)cs1 1130144287 HHNCQRXMSDLWHN-UHFFFAOYSA-N 429.089 4.567 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(F)c(Cl)cc2I)cc1 1131743232 BTSGTCXCJNDDIK-UHFFFAOYSA-N 445.659 4.830 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 1136630066 FRUZQPGWMYPAQB-HOTGVXAUSA-N 426.344 4.924 30 10 IJEE C=CCc1cc(CNC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC 1142605073 XGFHIHAWKCAKAL-VQTJNVASSA-N 446.588 4.522 30 10 IJEE C=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C)C(=O)OCC 1164588125 PIFVPWDVQZMQET-UHFFFAOYSA-N 428.941 4.867 30 10 IJEE C=CCn1c(SCc2cc(OC)ncc2Br)nnc1-c1ccc(OC)cc1 1188122234 MAAWGUHTQKXCFU-UHFFFAOYSA-N 447.358 4.598 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1cc(C)cc(C)c1)CCCC3)C(=O)OC 1188145066 OZWDFXWOPLLPQD-KRWDZBQOSA-N 440.590 4.763 30 10 IJEE CCOC(=O)c1c(NC(=O)CSc2ccc(C#N)cn2)sc(C)c1C[C@@H](C)CC 1188611298 HNAMLIVGMGDPQN-ZDUSSCGKSA-N 431.583 4.819 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1OCC 1201473211 IZOJKKGBORZFSO-MAODMQOUSA-N 436.390 4.850 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1205646730 BKTQNSCZTXJRQW-UHFFFAOYSA-N 449.532 4.760 30 10 IJEE CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)n1 1218287843 DQVFDTYNVBXFDT-KRWDZBQOSA-N 442.541 4.738 30 10 IJEE C=CC[C@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccncc1 1228096547 CALVYIRDJCJKGX-QFIPXVFZSA-N 438.572 4.825 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)c1ccccc1 1230625762 RXWZTFDCFHRAJN-NRFANRHFSA-N 445.485 4.767 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)NCc2cccc(Oc3ccccc3F)c2)CC1 1252626309 GOBAHMJAJAXHHF-UHFFFAOYSA-N 444.510 4.912 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1254996534 VPFJFZQAUPOEQF-CVEARBPZSA-N 435.531 4.714 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C#N)cc1OC)c1ccc2c(c1)OCO2 1264077964 YVJQFYKWHWDEDM-UHFFFAOYSA-N 442.471 4.707 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cccc(COc2ccc(C)nc2)c1 1264280668 AYNBEIOZNDWPBM-UHFFFAOYSA-N 447.487 4.712 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)CCCN1C(=O)OC(C)(C)C 1265217655 BGKSIHHKQDOGSN-NRFANRHFSA-N 432.521 4.629 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1 1269307487 HRDMXGIOIKQAEE-UHFFFAOYSA-N 427.323 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[C@H]1CCCCO1 1286278978 IMHLPFCQAICRND-CMKODMSKSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OCC2CC2)CC1 1286318303 UKNHLTUZVJWDMX-UHFFFAOYSA-N 442.991 4.806 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1286438154 QUMJEGSVUKNWFN-OFNKIYASSA-N 449.624 4.558 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1scnc1C 1286566879 JZVCFTBJUVRDFE-KRWDZBQOSA-N 429.565 4.967 30 10 IJEE C=C(C)COCCn1c(N(C)Cc2csc(Br)c2)nnc1C(C)(C)C 1286613818 GATHARVFYXKOKI-UHFFFAOYSA-N 427.412 4.629 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(F)c(F)c1 1286623316 FQPWZJJHFYBTKR-UHFFFAOYSA-N 442.695 4.703 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCCc1ccccn1 1286623877 YLQNBGQQBKEQPT-UHFFFAOYSA-N 446.780 4.924 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CCC2)CC1 1286664110 UCMKNGZYMZLQQC-FQEVSTJZSA-N 443.636 4.985 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1286703815 SMIJVHLAPISDRN-OAQYLSRUSA-N 436.604 4.536 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)C(C)C)C1CC1 1286735017 KTGRDWRUUFJXGE-CQSZACIVSA-N 425.396 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)SC 1286749456 SMVYWOQYXKQBJC-UZLBHIALSA-N 442.610 4.796 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286755929 MVERGGFOXSJGGF-OYRHEFFESA-N 437.632 4.574 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1cnccn1 1286826637 OGCJBGQMJSOQLE-UHFFFAOYSA-N 436.629 4.631 30 10 IJEE Cc1ccc(-c2nc(CCn3c(CC(C)C)nnc3N3CCC[C@](C)(C#N)C3)co2)cc1 1289520114 DOFVNRPLNONERN-RUZDIDTESA-N 432.572 4.813 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)OC 1291909490 FORLPVZDENSGJW-JOCHJYFZSA-N 449.555 4.501 30 10 IJEE CO[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC#N)CC1)c1ccc(Cl)cc1 1299666081 FQCANAGHSVAXGM-OAQYLSRUSA-N 436.947 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C#N)o1 1300271023 GBYYOBIHCIPIKN-IRXDYDNUSA-N 437.931 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](CC(C)C)N(C)C 1300274989 OLINJZHWSHOXOO-CMKODMSKSA-N 432.012 4.506 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1300313059 AOEKHZPZXUBQST-UFYCRDLUSA-N 442.051 4.737 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(SC)CCC1 1300604118 DFJBSTQWXXFZHF-UHFFFAOYSA-N 437.382 4.592 30 10 IJEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](C)Cc2cccs2)CC1 1300683082 LEGNPEGSOJWKEC-XUZZJYLKSA-N 447.652 4.516 30 10 IJEE C=C(Br)Cn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1300861205 BUHXFYQNOYALLO-QGZVFWFLSA-N 445.405 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OCC)C1 1300873414 GADGVXUFECVQHZ-CDXJDZJCSA-N 448.970 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(OC2CCCC2)CC1 1300884871 MLAVIHHKFQQGLG-XXBNENTESA-N 430.637 4.776 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N(C)Cc1ccc(Br)s1 1300990300 JCAZKNFNOCZPHM-UHFFFAOYSA-N 427.412 4.530 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1301095987 RXEZLKWYMPLXSE-ZJSXRUAMSA-N 449.599 4.726 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1301127103 YOTYQQNUEWMFKE-BJKOFHAPSA-N 437.632 4.658 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1301226519 GAODYUKBUTUQNS-JWRCQZCYSA-N 428.627 4.831 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1301229574 UHZTVEZNHAZXHY-WZONZLPQSA-N 434.588 4.702 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1301281086 AXQKJRUWYIHCEU-XLIONFOSSA-N 443.020 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCc1ccnc(C(C)(C)C)n1 1301282844 MGXJQUPYTZSMBT-UHFFFAOYSA-N 441.583 4.836 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCCCC1 1301348483 BPCLKRIUNAFYMC-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1OC 1301349242 LQMFVEXINNDJRU-UNMCSNQZSA-N 437.613 4.642 30 10 IJEE CC(C)(Cn1c([C@@H]2CCCCO2)nnc1N(CCC#N)CC1CC1)c1ccccc1F 1302337930 BXRRRMLIOKXPJJ-NRFANRHFSA-N 425.552 4.767 30 10 IJEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@H]2CCCCO2)CC(C)(C)O1 1303970870 CDSJXOZIELBDRS-OAQYLSRUSA-N 437.588 4.560 30 10 IJEE C=CCn1c(SCC(C)(C)CN2C(=O)c3ccccc3C2=O)nnc1-c1cccc(C)c1 1307251227 ZUSNTCOTLCEUCI-UHFFFAOYSA-N 446.576 4.854 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CCc2cc(Br)ccc2NC1=O 1307764343 UCVZCLHRVGRFQN-FQEVSTJZSA-N 431.378 4.558 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c1 1309159071 NCUKSXLQTQLQMH-UHFFFAOYSA-N 432.261 4.664 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1316530000 CYQBIQBDKXXMHW-TWOQFEAHSA-N 439.432 4.744 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 1355615040 AZQZHKSLOWWONS-XMMPIXPASA-N 433.552 4.734 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 1358077986 QKVBXLLICIPSMV-QFIPXVFZSA-N 438.369 4.672 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N(CC)CC 1358875928 YZFNNQUIGHJJKP-PZJWPPBQSA-N 432.616 4.541 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCN2CCCC)CC1 1359162497 SIJWBOORCNMIME-FQEVSTJZSA-N 429.012 4.805 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnccn1 1359187373 LKQVOAOEZGNBKL-UHFFFAOYSA-N 429.528 4.629 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@@H](OCCOC)C2)nnc1C(C)(C)C)c1ccccc1 1359195503 NPIIETGROUHBLM-FCHUYYIVSA-N 426.605 4.567 30 10 IJEE C=CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1359206001 QSWRMEJMSJMOES-IBGZPJMESA-N 440.588 4.510 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCC1 1359254895 HCVXWFDQTCRUCM-QFIPXVFZSA-N 440.588 4.680 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1359258960 IEYOCFYQSUUEAV-AHWVRZQESA-N 445.611 4.908 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@H](CN3CCCC[C@@H]3C)C2)cc1 1359308431 OCTNEWFIRXLVCS-JTHBVZDNSA-N 437.632 4.544 30 10 IJEE COCCn1ccc2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)cc21 1435690481 CFLVWHJWUPXXPI-UHFFFAOYSA-N 425.488 4.991 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 1436226213 BGUIAKADKSPUFX-PGRDOPGGSA-N 444.556 4.860 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1436651818 SMHKEIPWKLFLKW-LJQANCHMSA-N 443.341 4.578 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1438149370 XIWAITFZDKQNKT-OAHLLOKOSA-N 441.534 4.514 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(Br)c(OC(C)C)c2)c(OC)c1 1438346774 RWIYQUJWKXGTIZ-UHFFFAOYSA-N 434.330 4.991 30 10 IJEE Cc1c(NC(=O)[C@@H](C#N)CCc2ccccc2)cccc1C(=O)N1CCc2sccc2C1 1463972436 BDMDBYUUJNFUBY-HXUWFJFHSA-N 443.572 4.966 30 10 IJEE C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(=O)N1c2ccccc2C[C@H]1C 1466272897 CGRWNYUZBVLJDT-MSOLQXFVSA-N 440.503 4.838 30 10 IJEE C=CCN(C(=O)N[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC)[C@@H](C)COC 1469064295 HVIVWQPHJRWDDM-KSFYIVLOSA-N 432.948 4.679 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1 1469963691 SXRLXISVSIOELX-RCCFBDPRSA-N 448.158 4.741 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)cc1 1470123772 PTXWAQNGRQCDOV-UHFFFAOYSA-N 447.226 4.570 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1471202734 BBZZQUABEAMVGH-PXDATVDWSA-N 443.588 4.505 30 10 IJEE C=CCCC[C@H](NC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)c1ccccc1 1471588530 HZWYHIFPWPPLPW-IBGZPJMESA-N 426.561 4.914 30 10 IJEE C=CCn1c(S[C@@H]2CCN(OC)C2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1472915977 BMNNFJFCVBKFNR-NVXWUHKLSA-N 446.642 4.598 30 10 IJEE C=CCn1c(SCc2ccccc2C(=O)OC)nc2sc3c(c2c1=O)CCCC3 1472931161 FYIYBRMJNARWDI-UHFFFAOYSA-N 426.563 4.602 30 10 IJEE N#Cc1ccc(C2=CCN(Cc3cc4c(cc3Br)OCCCO4)CC2)cc1 1473344800 DUYNMZXLDFEKAG-UHFFFAOYSA-N 425.326 4.771 30 10 IJEE C=CCCC(C)(C)CNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 1479091968 CYZFEHMWHVZRSP-UHFFFAOYSA-N 441.385 4.972 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)c1nc(C)cs1 1505227940 FGEXBQSGJZMPQI-DOTOQJQBSA-N 440.642 4.963 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCC[C@H](COC)C1 1507555598 UBQUVQSYXRPOSD-NRFANRHFSA-N 431.584 4.858 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(OC2CCC(C)CC2)CC1 1507591740 RSICSJYPSOQGJQ-UHFFFAOYSA-N 438.591 4.986 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C(C)C)cs1 1507602148 MJUMIQSBMBNHNY-HNNXBMFYSA-N 429.977 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(NC(=O)OC)c1 1507814424 IHMIYTXHAFRVEI-UHFFFAOYSA-N 440.935 4.623 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1507847342 GISLIUMZEMFKOR-SFHVURJKSA-N 432.996 4.976 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1507872369 KKIAEDUOPSCYOQ-KRWDZBQOSA-N 444.988 4.891 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC2(OC)CCC2)CC1 1507900652 SYKLDCPPPOOCAW-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1507911100 HBFAKRDXRZVMCQ-QFIPXVFZSA-N 448.615 4.552 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1507929634 RQKKQSCVVYCMDH-QGZVFWFLSA-N 447.986 4.903 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507944349 PYFSCULPJQTLST-MRXNPFEDSA-N 436.387 4.523 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nccs1)C1CC1 1507988789 RKBPOHYPQGDLSI-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H]2OCCC[C@H]2C1)C(C)C 1508011000 JSKSOOZXJIHKIO-ISJGIBHGSA-N 449.643 4.649 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@H]1CCCCC1(F)F 1508027650 MSGGOCLTEPQTJC-GOSISDBHSA-N 427.499 4.994 30 10 IJEE CC(C)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 1509120551 IEEZEIYKBUOEAI-IBGZPJMESA-N 437.588 4.559 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1510288762 HXFZWHQNMFZWJY-UUOWRZLLSA-N 425.552 4.953 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](c1ccco1)N1CCCC1 1513204130 HPAZMGCUTCHESR-YMPZKCBVSA-N 446.599 4.846 30 10 IJEE COc1ccc(C(=O)c2c(NC(=O)COc3ccccc3C#N)sc3c2CCCC3)cc1 1523302605 FSRXNTZDZPIGAR-UHFFFAOYSA-N 446.528 4.756 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)C[C@@H](c3ccccc3)N3CCOC3=O)c2C#N)C1 1523678294 DODRYIPHTADHGQ-XLIONFOSSA-N 437.565 4.903 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1526262919 BGYZVWTTXQPZPZ-UHFFFAOYSA-N 445.441 4.657 30 10 IJEE N#CC[C@H](C(=O)Nc1c(Br)cc(F)cc1Br)c1ccccc1 1526794300 AVIFSOOQCWIVTE-LBPRGKRZSA-N 426.083 4.987 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1527046387 GCTJMPDATKYHCC-JOCHJYFZSA-N 430.936 4.810 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc(OC)c1OC 1527181943 JEQPFUSDIGMOJT-UHFFFAOYSA-N 427.504 4.701 30 10 IJEE C#CCN(C(=O)CCCOc1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1529627033 JDCSFFADROYXOW-HXUWFJFHSA-N 446.316 4.733 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(C)C)C2)ccc1Cl 1532822485 XVMZDYBJWHWBSJ-IBGZPJMESA-N 447.000 4.839 30 10 IJEE N#Cc1ccc(OCC(=O)N(CCc2ccc(F)cc2)C2CCCC2)cc1Br 1533736574 HHQYGEIDHQYJHJ-UHFFFAOYSA-N 445.332 4.853 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(F)cc(Cl)c1 1534452071 GSNHKIOMNYVCSC-UHFFFAOYSA-N 427.657 4.529 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 1535869862 JFTFOJBQUFUWOG-MRXNPFEDSA-N 442.478 4.790 30 10 IJEE C=CCN(C(=O)/C=C/Sc1cc(F)ccc1F)[C@H](Cc1ccccc1)C(=O)OCC 1538618093 CSTMHCGMMXHXKW-CMQXMCPJSA-N 431.504 4.760 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1539138940 BAJFTJFDDVORPJ-UHFFFAOYSA-N 444.526 4.685 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)c1ccccn1 1539155528 XFEMYXBSQBRLQH-UHFFFAOYSA-N 442.592 4.819 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C)[C@H](OC)C1 1539499547 MJCVYOODFDNKQV-PKOBYXMFSA-N 444.670 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(Br)c1 1539668136 TWZHQXFRBCBYNS-LJQANCHMSA-N 449.393 4.742 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539816767 DGCMACYONSKXGK-GOSISDBHSA-N 444.023 4.537 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@@](C)(CC)O1 1540146580 HTIBCEXKVKGPFG-HYBUGGRVSA-N 437.613 4.866 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCc3cc(F)ccc3C2)nnc1C(C)(C)C)C(C)C 1540152349 SIGMTVFDQZQPTI-HSZRJFAPSA-N 439.623 4.976 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](SC)C(C)(C)C 1540154110 PJDDREUDKIZJHN-INIZCTEOSA-N 438.439 4.992 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC1CCN(Cc2cccs2)CC1 1541118552 CSEJELBPNRLEAE-IBGZPJMESA-N 440.661 4.580 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCSC2)c1C 1542033609 DVNDXSDXMXNCEW-CTNGQTDRSA-N 439.629 4.918 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12)C(C)C 1542931975 CJUBUOOWUKURAR-RUZDIDTESA-N 445.611 4.681 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 1543023062 ADVOAMZWLIFDPU-XLIONFOSSA-N 444.572 4.501 30 10 IJEE C[C@@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)CCO1 1543634722 FURDAKUOGRZFOU-WOJBJXKFSA-N 437.588 4.560 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1 1557977272 DMNNWGPUUXAYOJ-UHFFFAOYSA-N 436.874 4.500 30 10 IJEE Cc1ncc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1Br 1558849509 ABWIOQLIIVELJX-UHFFFAOYSA-N 447.764 4.923 30 10 IJEE COc1ccc(Br)cc1[C@H]1CCCN1c1ncc(Br)cc1C#N 1559088592 FHERNGXRHYKOCM-OAHLLOKOSA-N 437.135 4.828 30 10 IJEE C=CCn1c(SCc2c(Br)cccc2C(=O)OC)nnc1-c1ccccc1 1559310559 KEJHBPNOBZSSAL-UHFFFAOYSA-N 444.354 4.973 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)c3ccc4ccc(Br)cc4c3)[nH]2)c1 1566351860 GOUXOXLAIUETLI-UHFFFAOYSA-N 431.293 4.794 30 10 IJEE CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1567193874 DPWXWXAKVASNOM-FQEVSTJZSA-N 433.335 4.870 30 10 IJEE C=CCC[C@H](NC(=O)C1(c2ccc(C)cc2Br)CCCCC1)C(=O)OCC 1569186628 HHJYGGVHIDAUDC-IBGZPJMESA-N 436.390 4.974 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1569673422 IAWZQKCXXPFOPS-ZWKOTPCHSA-N 437.378 4.569 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 1583366050 JDOXUZNHUJVEBS-IBGZPJMESA-N 436.980 4.709 30 10 IJEE CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCCC[C@@H]1c1ccccc1 1583894581 FAWSSUOHVHECPA-XLIONFOSSA-N 427.342 4.884 30 10 IJEE C#CCOc1ccc(COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 1584643869 BHWYAGLHWMWKRG-XMMPIXPASA-N 447.918 4.957 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1587749468 IYLYFJWUEPRSEP-FYYLOGMGSA-N 430.600 4.566 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1588453052 YYNMMCDUPFYAMF-GCJKJVERSA-N 445.007 4.811 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1CCCCO1 1588550370 OXUSQIOZVAVCOT-GOTSBHOMSA-N 440.563 4.648 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1588612407 DVEBHFOPXPCZKT-ICSRJNTNSA-N 434.506 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H](C)c1nc(-c2ccccc2)no1 1589216490 QETMRNFCZWZNGD-AVRWGWEMSA-N 432.572 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(OC(F)F)c(OCC)c1 1589216768 WYNTVXAUURPYJV-XMMPIXPASA-N 446.542 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1589636637 BKMKTKZOCHNOIV-IRLDBZIGSA-N 436.629 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCCOC)C1 1594477517 FMNHGBSYRGRWRC-GOSISDBHSA-N 432.996 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1594510790 AEHRTVQZLKLCBY-UHFFFAOYSA-N 429.568 4.866 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)S[C@H](C)C1)c1ccccc1 1594552606 PBOUFIPGWAENIJ-KCZVDYSFSA-N 433.625 4.954 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)C1CC1 1595033494 JOLPMQGEOLYCJF-KRWDZBQOSA-N 433.556 4.578 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCC1CC(OC(C)(C)C)C1 1595117133 ZLWXZTVXSNBIQS-UHFFFAOYSA-N 448.615 4.855 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1595218069 GRILVACXZKQGOY-MOPGFXCFSA-N 431.625 4.691 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(Cl)s1 1595261656 TXXWBNNWNHQVMR-QGZVFWFLSA-N 447.004 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCCS2)C1 1595744103 JWKFSHUMLRCKTP-YADHBBJMSA-N 426.630 4.520 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccnc1Sc1ccc(Br)cc1)C(=O)OC 1596243206 DTLLSYBGKCRTTH-KRWDZBQOSA-N 449.370 4.623 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC1CCCC1 1596848761 CFEHIBRYUDWRQM-QUCCMNQESA-N 444.624 4.916 30 10 IJEE CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C)CC1 1618007221 GFUVMQHDLFTRCR-UHFFFAOYSA-N 432.475 4.729 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1623761317 CKLGTKAMGPGKSU-UHFFFAOYSA-N 442.487 4.594 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 1624191739 DIASOCLUPXZMCB-UHFFFAOYSA-N 433.899 4.837 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCCOc1cccc(Cl)c1 1626265998 DMTUPFPFNWDEDL-UHFFFAOYSA-N 425.916 4.632 30 10 IJEE C=CC1(CC(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)CN(C(=O)OC(C)(C)C)C1 1627721908 YDYVAJBTGSXVKI-UHFFFAOYSA-N 428.558 4.574 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1ccccc1 1633353141 YICBAIBKKIWILP-TZRRMPRUSA-N 447.579 4.843 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1638439825 ILCMFNVSTWNHPE-HBMCJLEFSA-N 430.589 4.941 30 10 IJEE N#Cc1ccc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1Br 1639474253 DKEAGHZMKNOLKH-KRWDZBQOSA-N 436.256 4.530 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)nnc1-c1cccc(OC)c1 1640970761 WCQYRZLOFWQMMF-UEXGIBASSA-N 442.629 4.761 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1cccc(OC)c1 1643757733 QIZRYKGXSXFYKK-FQEVSTJZSA-N 441.528 4.545 30 10 IJEE C=CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 1643806382 SEQATCIQZFBPDA-UHFFFAOYSA-N 426.498 4.527 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1 1644410605 DVJSGNNQPZTRCD-HSZRJFAPSA-N 443.595 4.873 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(Nc3ccc(NC(=O)CC(F)(F)F)cc3)c2c1 1650999293 CSXZEDHXHBHSNQ-UHFFFAOYSA-N 430.386 4.758 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SC[C@@H]1CCC[C@H](C(F)(F)F)O1 1652469081 AJBJQGHTCSOUDQ-XJKSGUPXSA-N 431.455 4.774 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 1652554615 GDPJWHIZZXVLOV-GOTSBHOMSA-N 433.939 4.988 30 10 IJEE COc1ccc(C[C@@H](C)CN(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 1653142061 DEOLEWPDZBJNKR-GOSISDBHSA-N 427.976 4.714 30 10 IJEE Cc1cccc(NC[C@@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)n1 1653727836 HGYUJNICWSZYTJ-QFIPXVFZSA-N 448.615 4.700 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CCc2ccc(F)cc2)C2CC2)n(-c2cccc(F)c2)c1C 1657298365 AGCLIARKIVQSMC-UHFFFAOYSA-N 448.517 4.890 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(ccn3CCC)c2)cc1 1658320166 GKXVEHZXSWYTIS-UHFFFAOYSA-N 426.542 4.502 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1659192402 HDHHRLHFNDIOEJ-UHFFFAOYSA-N 436.249 4.729 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)c1 1662513620 JJQKIVMHQRKUSO-BJKOFHAPSA-N 444.641 4.895 30 10 IJEE C#CCN(Cc1cc2ccccc2nc1OC)[C@H]1CCOc2ccc(Br)cc21 1663980295 SJAHGKNTVGJVNM-NRFANRHFSA-N 437.337 4.965 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F 1666357315 PRNTTWVGDMSJIV-HXUWFJFHSA-N 428.916 4.729 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)c1ccc(Br)cc1 1667369017 RFBUZVUMNHLZPU-OAQYLSRUSA-N 436.309 4.919 30 10 IJEE O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1672597288 BPYWYJWEEUKWRB-CYBMUJFWSA-N 444.347 4.783 30 10 IJEE C#CCN(C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1)[C@@H]1CCCc2ccccc21 1673320052 UOSZLMQOBQAINK-HXUWFJFHSA-N 436.556 4.505 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 1674032631 GWUUTDKUTRKQKA-UHFFFAOYSA-N 442.459 4.599 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3C[C@H](C(=O)OC(C)(C)C)c4ccccc43)cc21 1675098790 NWTWIPAJCSQIMM-SFTDATJTSA-N 432.524 4.914 30 10 IJEE C#CCN(C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1)[C@H]1CCCc2ccccc21 1678504782 OKKZUGYVFBPXEP-GOTSBHOMSA-N 449.620 4.524 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](C)Oc1cccc(Br)c1)c1ccc(Cl)cc1F 1679589994 UBFPBTHBXDWNDB-KPZWWZAWSA-N 439.712 4.683 30 10 IJEE C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681515187 GWTNWMNCYCKJRV-PNLZDCPESA-N 438.959 4.541 30 10 IJEE C#CCN(C(=O)NCc1cc(F)c(F)cc1Br)[C@H]1CCCc2ccccc21 1682174762 QFGHBPYBXGMOIJ-FQEVSTJZSA-N 433.296 4.950 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCOc1cccc(C(F)(F)F)n1 1690069679 UIPFDQGINYQKKX-UHFFFAOYSA-N 449.864 4.551 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@@H](F)C1 1690200354 UPEWGLLKWSNRGY-GCKMJXCFSA-N 431.353 4.838 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1690279389 FJQWHKYJGJAKRP-PKOBYXMFSA-N 429.996 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1690419377 QBOHHPLXQMFAAX-UHFFFAOYSA-N 444.992 4.879 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(SC)CCOCC1 1690533757 VBHFPBCLUHYCHY-UHFFFAOYSA-N 444.645 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(SC)CC2)C1 1690686280 LKWGFZJEJJUTPL-VQIMIIECSA-N 449.020 4.748 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1690750152 BFTVRVBTJAMIQB-PMACEKPBSA-N 442.629 4.801 30 10 IJEE Cc1ccc(SCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1693162862 CFLWEANWYFLODR-NZQKXSOJSA-N 425.602 4.751 30 10 IJEE CCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1695193423 CLFZHXJRSCSCTF-REWPJTCUSA-N 439.604 4.806 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1Cc2ccccc2[C@@H]1C 1705540038 LJXXNACFANYOEU-RXVVDRJESA-N 435.572 4.845 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCn1cccn1 1705678320 VXNDPAAMWHXPQK-JOCHJYFZSA-N 441.004 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(CC)Cc1ccc2c(c1)OCO2 1705693355 FOWGKIQILCQQTA-LZNRXBQRSA-N 426.561 4.528 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(F)(F)F)cc2)CC1 1705783696 QNXFSEUOHKQZDF-UHFFFAOYSA-N 427.474 4.733 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1705795180 DSMTXDJFICNILR-UYAOXDASSA-N 435.538 4.836 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(OC)c2)CC1 1705808612 SHHAEPQIJDBRRW-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705948742 DOPNLMKXPNXGOR-HDICACEKSA-N 432.659 4.981 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CC2)C1(C)C 1710597858 GEXWETSJUJLQJC-SFTDATJTSA-N 437.588 4.559 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cn(CCCC)nc1C 1722301677 DICQTGVSIQSABV-LJQANCHMSA-N 436.629 4.690 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1722328591 SYEITVMGWLTLGA-UHFFFAOYSA-N 448.640 4.748 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](CC(C)C)C1 1722455709 UZYHPQGPNPSIPM-QGZVFWFLSA-N 434.556 4.785 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccccc1F)C1CC1 1722518683 GMZDWGXXPBYSDH-UHFFFAOYSA-N 430.325 4.920 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1722524917 YVOOGIBRAJZGKV-AWEZNQCLSA-N 425.360 4.744 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(OC)CC1 1722528506 HPKCETUCIVAHPR-WIOPSUGQSA-N 426.605 4.808 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](CC(C)C)C1 1722531454 RYGOJUFEXYHWGR-FQEVSTJZSA-N 434.588 4.800 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1722535074 YKZUMOSESIVDJK-QFIPXVFZSA-N 439.629 4.607 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](SC)C1 1722536674 YSCJYBWISOUBJN-JOCHJYFZSA-N 444.645 4.789 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722608004 QDJZTRKPBHSRIZ-XUVXKRRUSA-N 447.624 4.616 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1722614505 POUZHYGEVJTSQO-MOPGFXCFSA-N 434.588 4.684 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1ccco1 1722620856 SLNLVYYRRLUGJV-OAQYLSRUSA-N 449.555 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(C)CCCO1 1722664194 SDPWFJCYDADVKJ-HSZRJFAPSA-N 426.561 4.831 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(C)(F)F 1722676908 OQRMMDAEEBPVND-FQEVSTJZSA-N 444.482 4.664 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCCC2)CC1 1722732168 HVIDRAYUSKQJFN-QHCPKHFHSA-N 439.673 4.804 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 1722736215 UPSZXFFBIQDIAZ-UHFFFAOYSA-N 443.636 4.704 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C(C)C)cs1 1740556521 IAYYTNXRKOKOEM-OAHLLOKOSA-N 429.977 4.597 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1oc(CCC)nc1C 1740682032 IENOTJMZQDAZIA-UHFFFAOYSA-N 449.599 4.626 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccsc1 1740716111 MGCPTJSXCZFYOO-UHFFFAOYSA-N 435.578 4.664 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C)[C@@H](C)CC 1740724765 ILFIYOHPBHQIKS-WDZJFXIESA-N 437.632 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCCCC1 1740753146 GDVFQCUOZUDCIA-MBSDFSHPSA-N 440.588 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cccnc2OCC)CC1 1740819636 XRJHJGISAMTDMR-UHFFFAOYSA-N 441.482 4.545 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)C1 1740996710 QHVLERKIGAJRCS-PKOBYXMFSA-N 432.659 4.896 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@@H](O)C1 1741516085 GHSFDPOXWJMMBA-RBUKOAKNSA-N 429.996 4.916 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1748710449 PZQZUURIRNHTIW-FQEVSTJZSA-N 443.389 4.690 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1748716236 WIZAWSMXIOUESG-DLBZAZTESA-N 434.993 4.616 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1748735454 UOPLXICLTAFAOQ-HNNXBMFYSA-N 444.992 4.845 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnc(C(C)(C)C)s1 1748777241 FKFGSLWDKVNBCY-UHFFFAOYSA-N 435.384 4.519 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1nccnc1C 1748917568 DIAHMSILBDEVBC-UHFFFAOYSA-N 446.555 4.613 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC)Oc2ccccc2F)CC1 1749343723 QPLLXYQWVDRLNH-NRFANRHFSA-N 435.547 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749359690 NMEKAFQUKPVWFY-UHFFFAOYSA-N 436.629 4.947 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCSC2(CCOCC2)C1 1749412042 JDIBRHFEDHPSQM-GOSISDBHSA-N 446.592 4.626 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749436940 AJXQBYLVPLUKIC-DENIHFKCSA-N 426.605 4.982 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](CC)C1 1749449931 YZEQFFLNDIFBAC-KRWDZBQOSA-N 437.009 4.532 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@](C)(OC)C1CC1 1749473316 FBPIFTDXSOLNDC-IBGZPJMESA-N 439.785 4.798 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1749745951 MTWKCYFVYOIOBW-QFIPXVFZSA-N 437.613 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN(C(C)C)C1 1760097115 AIZRLEHOAQRRBT-PMVMPFDFSA-N 437.632 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(OC2CCCC2)c1 1760331031 CLARJAKWFZVRCD-UHFFFAOYSA-N 442.567 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(F)F 1760339205 ZYRBBSUBFOUMSC-QGZVFWFLSA-N 441.567 4.840 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760343342 OFNQESCHUIWYEY-IBGZPJMESA-N 445.405 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOCCCC)CC1 1760384010 HGCJYPDGVIMIOW-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1760426208 IVORCHCETDUSOR-GMAHTHKFSA-N 434.588 4.639 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1760442355 NQJPTMPWESSFTA-NRFANRHFSA-N 444.377 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@@H]1C 1760487171 LEHZOFFGGQABLX-ICSRJNTNSA-N 440.588 4.935 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccsc1 1760498510 UQKHUCJYOWAQBX-QHCPKHFHSA-N 438.553 4.644 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C)C(C)(C)C2)cc1 1760531410 OLZUJQCZCGNLFR-LJQANCHMSA-N 448.615 4.625 30 10 IJEE CC(C)CC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1760988037 DJMUVAQJHSNZBI-OALUTQOASA-N 444.624 4.915 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CC2)n1Cc1ccc(N2CCCCCC2)nc1 1761076659 FFASQSCGNRQRCY-UHFFFAOYSA-N 435.620 4.745 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc2c(s1)CCCC2 1763841034 DRWZEZVUZQZRQQ-KRWDZBQOSA-N 434.613 4.877 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCC2)o1 1765621723 BLTCMKYEBSGHKU-UHFFFAOYSA-N 448.571 4.652 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(C)C 1768777234 HCSAREUJEUKRSW-QFIPXVFZSA-N 432.572 4.729 30 10 IJEE COCC1(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CCCCC1 1769335302 CSIYXWDSTGKFCO-XMMPIXPASA-N 439.579 4.735 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 1862379812 LNFGFJDUAXFNTG-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862394864 QZTYLIMXXNZSGM-FQEVSTJZSA-N 448.346 4.907 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 1862477095 SBYKQOISPOPUNC-QFIPXVFZSA-N 440.971 4.959 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC)c1 1862528176 PRFYGFGJYCWWLW-IBGZPJMESA-N 444.325 4.836 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862563114 VUKSUMMTEQDUQP-IBGZPJMESA-N 449.334 4.579 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862589501 MIMZESBMAFCHNZ-XMMPIXPASA-N 427.500 4.912 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862599233 AERITKOZLDWZFD-QHCPKHFHSA-N 436.552 4.863 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)c(O)c1)c1cccc2ccccc12 1862651767 AKALPCIHVAMCHT-QHCPKHFHSA-N 441.439 4.623 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2F)cc1 1862661088 OICIWNLUCDVADV-PGRDOPGGSA-N 441.474 4.846 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 1862661985 FOKKDARKNSVQAU-XMMPIXPASA-N 442.515 4.992 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 1862735822 QZKWMGLODPXGPO-XWRIVVANSA-N 438.455 4.891 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2ccc(C)c(Cl)c2)C1=O 1863056416 IARRSYPXOSDQKZ-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccccn2)C1=O 1863810784 VRXWLRJADPNKFK-UHFFFAOYSA-N 430.552 4.793 30 10 IJEE CCCC[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 1866698310 YYXUXESMXRPGDE-RPBOFIJWSA-N 440.547 4.593 30 10 IJEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868466776 CLUPXJWXYZTOBG-UHFFFAOYSA-N 446.986 4.809 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CSc1ccccn1 1870205467 OVTKJJRACPHGDD-UHFFFAOYSA-N 449.576 4.863 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN(C)CCCC 1870531128 AQMQKQVYIBNXMN-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CNc1ccc(C)cc1 1870824127 TXZHPJPMGCGRLX-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871006325 AQUIFHKGDKZTAU-UHFFFAOYSA-N 430.401 4.679 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871375315 FQYZDMZQKXCYGU-IWIPYMOSSA-N 430.456 4.858 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc2C1=O 1871434426 RRSXTALGNRNRDT-RMORIDSASA-N 445.427 4.965 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871760183 RMIOMYGLOZKWEV-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872095703 UHMKAITZTJFYNE-QFIPXVFZSA-N 443.544 4.537 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872157676 NFDVBIQYSIZFHT-FDDCHVKYSA-N 441.597 4.764 30 10 IJEE COc1cc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cc(OC)c1OC 1873463917 PERBLBGQAUZFMQ-JFLMPSFJSA-N 442.475 4.762 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 1874426113 RUYDCKSDBQABBP-PCLIKHOPSA-N 443.532 4.567 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2-c2ccccc2)cc1 1874429454 KNWNNMQWHANVHB-ZVHZXABRSA-N 438.553 4.517 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1c[nH]c2ccccc12 1874509947 CZBDCAMEHOIIGB-BRJLIKDPSA-N 436.516 4.635 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 1874519804 MNOYMSNEZPFMNM-FSJBWODESA-N 426.929 4.770 30 10 IJEE CCc1ccc(C(=O)/C=C/c2cc(OC)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 1874604648 YSVLXIBEXPSIAD-FMIVXFBMSA-N 426.509 4.740 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCC(=O)OCCC 1874623655 OSGOPFMYENBQSY-CSKARUKUSA-N 442.483 4.800 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)cc2F)c(Br)cc1OC 1874699567 ASZHHDXVSYONFM-QPJJXVBHSA-N 425.225 4.947 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c1 1874707478 HIBVSGJBBFWBAL-SOFGYWHQSA-N 432.428 4.548 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3OC)c(OC)c2)cc1 1875112904 SERSERWILGIHMZ-NTEUORMPSA-N 448.471 4.836 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 1890687722 LCANTKYUOTWMQJ-UHFFFAOYSA-N 425.532 4.793 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Cc2ccc(I)c(Cl)c2)C1 1995484756 XTQCOSDMWVUMEY-KRWDZBQOSA-N 446.716 4.638 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1 2037375500 BDACJDNJJORBPJ-UYAOXDASSA-N 445.560 4.512 30 10 IJEE CCCC1CC(=Cc2ccc(C(=O)NC)cc2)C(=O)C(=Cc2ccc(C(=O)NC)cc2)C1 2040498162 DNJSFKUMKGBGCD-UHFFFAOYSA-N 430.548 4.652 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079880520 PECZUFWMYKHKJF-SFHVURJKSA-N 433.293 4.553 30 10 IJEE CC(C)(C)[C@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(C(=O)O)c1N 2080051698 CMZJYHRWRLBQQQ-LBPRGKRZSA-N 427.320 4.976 30 10 IJEE C=CC[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2121944674 NIZDAMXDHCOREO-GFCCVEGCSA-N 434.115 4.625 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1 2124521316 FJIUPAASBQFVTO-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2124697834 VTWLHLPYVDXJPM-AREMUKBSSA-N 449.551 4.649 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(F)c2C)C1 2126626397 TYQRPARMBJXVPN-UHFFFAOYSA-N 427.314 4.696 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1c1cc(Br)c(C#N)cc1F 2174816032 ZGTBFVCXRMOVPQ-SJORKVTESA-N 438.341 4.828 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181135335 PMPZODQGYYOGBW-DYVFJYSZSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)CCC1(C)C 2193422893 SNUCHSBSZZFEAT-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE C=C(Cl)CC(=O)[C@H](O)c1cc(Br)cc(Br)c1OCCC 2196586650 UFDPJPLRWJDWKJ-CYBMUJFWSA-N 426.532 4.746 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2nc(C(C)C)[nH]c2Br)C1 2197756182 VSKWLZQHTWVTED-HNNXBMFYSA-N 441.414 4.950 30 10 IJEE NCC1(C#Cc2sc(Br)c(Br)c2Br)CCC1 2212189435 KVTBAPABNGGZRU-UHFFFAOYSA-N 427.987 4.516 30 10 IJEE C=C([C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221685085 MRALNGPUACAYQN-IRXDYDNUSA-N 427.459 4.646 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2ccccc2Br)cs1 2227478609 VOQSUEKOLGTWNR-LBPRGKRZSA-N 435.343 4.726 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229108949 CVRQGKATRKLDPM-MSOLQXFVSA-N 441.486 4.907 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(c3ccc(C#N)c(Br)c3)C1)C2 2234940897 COUDPLFTMKEJLJ-QVKFZJNVSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@@H]21 2240956415 AXLIEFYVYMDSQL-XUWXXGDYSA-N 435.366 4.696 30 10 IJEE C=C([C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 2243716456 MVBDDEMQPNTJQL-NRFANRHFSA-N 432.681 4.852 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](O)C#Cc1ccccc1Cl 2245956813 ASLXGZVROSRNDM-SFTDATJTSA-N 429.944 4.553 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2249588090 XOXHCPYVXBXHPD-QSVWGWLCSA-N 431.508 4.716 30 10 IJEE CCCN[C@H](C#CC1CCCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2260978719 APEHDVXRWBFFEF-JWQCQUIFSA-N 441.660 4.964 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)[C@H]3C[C@H](B4OC(C)(C)C(C)(C)O4)C3)cc2C1 2267567068 HWBXDSYIMSGRFP-SAABIXHNSA-N 442.365 4.748 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CC1CCC1)NC(=O)OC(C)(C)C 2296221612 KEEMFIKEUNAZOO-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@@H](O)C#Cc3cccc(Br)c3)ccc21 2296223921 FJVPPBKADMYBSQ-FQEVSTJZSA-N 428.326 4.832 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)nc1 2296225032 QGRYTMJVIYPFSU-SFHVURJKSA-N 430.346 4.893 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1CC 2296285730 DFZVQJUZKNJUMM-LRXVAGHRSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](N)C#Cc3cccc(Br)c3)C[C@H]21 2296288436 HCZBSASKJLQASN-QGZVKYPTSA-N 433.390 4.554 30 10 IJEE CCC[C@]1([C@@H](C#Cc2ccc(Br)cc2)NC)CCN(C(=O)OC(C)(C)C)C1 2296306680 KOISYGGGZGVILX-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(c3ccc(OC)cc3)C4)C2=O)cc1 2296869832 LELLCJBEQBXMBZ-UHFFFAOYSA-N 429.472 4.985 30 10 IJEE CCCOc1ccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2296923565 XEXNBSOFTGWSII-DEOSSOPVSA-N 442.515 4.801 30 10 IJEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317335240 CFAAMVJFBLGFAI-VSOYFRJCSA-N 431.386 4.784 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2ccccc2C)cc1 2321256525 LFDZEMZTVYBLJF-UHFFFAOYSA-N 437.569 4.769 30 10 IJEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)c1OC 2321981690 MPXFFYHTEYGTJU-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE Cc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(C2CCC4(CC2)OCCO4)C3)C1=O 2322430192 PFASWFZHDXWDDY-UHFFFAOYSA-N 447.531 4.757 30 10 IJEE CCCCCOc1ccccc1C=NNc1cnn(C(C)(C)C)c(=O)c1Br 2322642130 WGZPCWMUSRVDEM-UHFFFAOYSA-N 435.366 4.776 30 10 IJEE CCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324288293 SYJHFOGMSBYTSM-UHFFFAOYSA-N 435.476 4.536 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1N=Cc1cc(OC)c(OC)cc1OC 2325513749 QCDTUPNZFCDAJK-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE CCOc1ccc(NC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)cc1OCC 2325610499 ZRBDCQRYFOIQHF-UHFFFAOYSA-N 436.277 4.607 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Br)cc2C)cc1OC 2325649421 HVUZUPJPDCKBGC-UHFFFAOYSA-N 432.314 4.776 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccccc2OC)ccc1OC 2325723172 WPRLBGSTICWSIK-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4OC)c3C)C2=O)cc1 2325736113 XMEADSYNTKRCRL-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccccc1F 2326269354 GCHNTWBAOBDOIQ-UHFFFAOYSA-N 426.517 4.598 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(C(=O)O)cc1 2326379827 GFHPRYBGUHEZMR-UHFFFAOYSA-N 438.553 4.599 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(F)c1 2326603892 LOSWMJPOGGZIEA-UHFFFAOYSA-N 448.523 4.503 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc[nH]1 2330075641 ASNLLZZYZLZUEP-GOSISDBHSA-N 444.564 4.679 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2F)cc1 2331495992 AISSKMJZNOBSPH-UHFFFAOYSA-N 437.544 4.860 30 10 IJEE CN[C@H](C#Cc1nc(C)cs1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2338381980 MIHLAZNKMIVOAQ-MRXNPFEDSA-N 436.375 4.873 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339593125 AUTDPYYIAZHYNA-XUDAUXSOSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2339594624 XFQQGDGTHIJKBA-XSYYMCAHSA-N 441.381 4.536 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362716188 BHAGPGMDVQCAEX-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE N#Cc1cc([N+](=O)[O-])ccc1Oc1cc(Br)cc(I)c1 2364012769 CYOYVFLVPAOICO-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE C[C@@H]1CCC[C@H]1N[C@H](C#Cc1ccccc1Br)CCNC(=O)OC(C)(C)C 2367588309 DIKGLOKNKYOOBA-YVWKXTFCSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C#Cc2ccnn2C2CC2)cc1Br 2367772567 KKVKNRBUHGOWPL-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE COc1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)cc1F 2377631519 IZOHTEPNPVMGAU-MRXNPFEDSA-N 436.281 4.998 30 10 IJEE C=CCn1c(CC)nnc1SCC(=O)Nc1ccc2nc(SCCC)sc2c1 20425644 FAJHXHBEEPXCRU-UHFFFAOYSA-N 433.628 4.869 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccccc2C)Nc2cc(C)ccc2OC)c(C)n1 32973069 AZJLHBNUCHTCGE-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccccc2OC(=O)c2c(OC)cccc2OC)c1 34955429 QGZMPZIDYITKFI-OWBHPGMISA-N 448.471 4.836 30 10 IJEE Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N 38623661 BIIPZUCNDUNUFY-QAPCUYQASA-N 449.309 4.695 30 10 IJEE O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2c1ccccc1O 39372325 CQPSOEZTSYMAAD-UHFFFAOYSA-N 430.460 4.918 30 10 IJEE CCOc1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)cc1 57999382 WQQNRQMMYAWPLF-QAYQYMSWSA-N 431.945 4.637 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nnc(-c2ccccc2Br)o1 63297602 XLFYZCLVKHAPIB-UHFFFAOYSA-N 429.274 4.596 30 10 IJEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CCCCOc3ccc(Cl)cc3)C2=O)cc1 96546684 MMPWBDRJFGMGAU-DEOSSOPVSA-N 442.943 4.921 30 10 IJEE Cc1c(/N=C/c2ccc(Oc3ccc(C#N)c(C#N)c3)cc2)c(=O)n(-c2ccccc2)n1C 96580238 GFMAPKCXUQYOML-STBIYBPSSA-N 433.471 4.771 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929422 OSRCNVFZZMCQPJ-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccnc1)c1c[nH]c2ccccc12 170011951 QGWHRNCHDOPNAB-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N(C)C2CCN(C)CC2)C1=O 170017665 JUGPTAILBYNMLU-UHFFFAOYSA-N 445.673 4.995 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)cc1 170021770 INBXSEOUYAVTAG-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)c(Cl)c2)c(C)c1 170043756 RWWZVJKREZVKSX-OAQYLSRUSA-N 441.911 4.884 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(O)c1 170083142 MFOAFBXBDMZRMP-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cn(C)c3ccccc23)s1 170084672 ZXZVMDSOEKHCBF-HXUWFJFHSA-N 447.516 4.623 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccccn1)c1cc2ccccc2o1 170176929 URTKCOROPHKCHM-OAQYLSRUSA-N 432.382 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccnc1)c1ccc(Br)cc1 170194182 UGYDKOCALCKCDZ-IBGZPJMESA-N 441.325 4.755 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccc(OCC(C)C)c1 170219126 ZFMBIFUXDGSNSY-HSZRJFAPSA-N 435.520 4.645 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(O)c(Cl)c1 170219955 LTFABJODVIYCDK-GOSISDBHSA-N 436.291 4.696 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)c1C 170225724 OOTBMTQNQPKKPL-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(F)cc1 170241909 IWSNEOPRAJIENR-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1F 170248599 ZJNPHVQSFJGOGG-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccc(O)c1 170262839 KSBWEXDITLZHKF-IBGZPJMESA-N 444.325 4.842 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170337531 DMKWNAMDAKZFGW-DEOSSOPVSA-N 441.531 4.602 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170403953 ZZWNIHPLZOYHRT-HSZRJFAPSA-N 439.471 4.663 30 10 IJEE C=CC[C@@H]1CC=C[C@@H](CCCC)N1C(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 208939730 OSIRGIGTCUUXJJ-WOJBJXKFSA-N 448.596 4.570 30 10 IJEE C=CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(NC(C)=O)cc1 254396978 KZPIGYNNUXZWOS-UHFFFAOYSA-N 442.491 4.745 30 10 IJEE N#CC1CCC(CNC(=O)CC2(CC(=O)NCC3CCC(C#N)CC3)CCCCC2)CC1 441134686 KSHGSJQQDNIJNQ-UHFFFAOYSA-N 440.632 4.609 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cn2cc(Cl)ccc2n1 481390486 DIWYZUVZYYLOOJ-UHFFFAOYSA-N 425.945 4.945 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)N1CCC(C)(C#N)CC1 507180284 OPARGMQVCSJKNZ-UHFFFAOYSA-N 425.842 4.917 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 508865173 STSIIYANICLKPT-INIZCTEOSA-N 448.493 4.610 30 10 IJEE C=CCn1c(N2C[C@H](C)O[C@@H](c3ccccc3)C2)nnc1C(F)(F)Oc1ccccc1 508998686 NYEYYQTYCIHQQP-FXAWDEMLSA-N 426.467 4.559 30 10 IJEE COc1ccc(OC)c([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526523600 YSRGWOGOLXPLSX-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE COC(=O)[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc2ccccc2c1 543083483 FEQGBAYEMBASSS-DEOSSOPVSA-N 440.455 4.528 30 10 IJEE N#Cc1cccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586178676 PELFONWXKACHFL-UHFFFAOYSA-N 441.896 4.511 30 10 IJEE N#Cc1cccc(C(=O)N(c2cccc3cccnc23)S(=O)(=O)c2ccc(Cl)cc2)c1 586316521 YMCVHFITXAYVFJ-UHFFFAOYSA-N 447.903 4.796 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@]4(CCc5ccccc54)C3)n2Cc2ccccc2)cc1 619818751 YLAIPFDETVWTNY-MUUNZHRXSA-N 447.542 4.543 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1ncc(Br)cc1Br 698413601 FNXZPGRTQFZBOL-GFCCVEGCSA-N 433.144 4.817 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1ccc(Br)cc1[N+](=O)[O-])C2 712806466 MUYWEWUHZCGYMJ-KBPBESRZSA-N 436.306 4.681 30 10 IJEE CC(C)CCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731308067 LTAJAIWGDBMIFZ-FQEVSTJZSA-N 425.554 4.789 30 10 IJEE COc1ccccc1N=C1SCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741171966 DQBPURUVFVUMDI-LSDHHAIUSA-N 436.455 4.960 30 10 IJEE CC(C)(C(=O)OCC(=O)c1cccc(C#N)c1)[C@H](O)c1ccc(OCc2ccccc2)cc1 754343548 MAGZOCZAQLDGMD-RUZDIDTESA-N 443.499 4.623 30 10 IJEE O=C(CCc1cc2ccccc2nc1O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 767541550 REZCCBBVWCOQDK-UHFFFAOYSA-N 431.279 4.587 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCC1CCC(C(F)(F)F)CC1 770320943 GHQCKCAYVMBDKA-UHFFFAOYSA-N 442.381 4.682 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1nc(-c2ccccc2)cs1 1124353524 ZGZUHRKMZKEZTB-HXUWFJFHSA-N 449.551 4.559 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 1124582801 BQYJSHACZHWGNU-UHFFFAOYSA-N 425.410 4.936 30 10 IJEE Cn1nc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c(Br)c1C(F)(F)F 1125822577 BEXJPHBIUNWINW-UHFFFAOYSA-N 434.109 4.612 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1126141428 LEOOKYCHEMHSBN-UHFFFAOYSA-N 432.476 4.579 30 10 IJEE C=CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2)c1)c1ccccc1 1160489256 JRERKLSIIULPSK-UHFFFAOYSA-N 436.533 4.719 30 10 IJEE CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nc(C)cc(C)c1C#N 1164514999 GFWOUOKBFLXWSQ-UHFFFAOYSA-N 431.583 4.738 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@H]3CCN(c4ccc(Cl)cc4F)C3=O)o2)cc1 1165808557 KGXRUWMLYCOFBN-SFHVURJKSA-N 445.903 4.992 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cccc(C#Cc4cccs4)c3)ccc2c1=O 1182092057 RXFRUTCUYVIZEJ-UHFFFAOYSA-N 443.553 4.585 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cnc2ccsc2c1 1186395825 QLNNKLCLPISDBF-UHFFFAOYSA-N 441.347 4.575 30 10 IJEE COC(=O)c1c(C)[nH]c(C(=O)CN(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1C 1191852672 COLNNCNQBKNBLT-UHFFFAOYSA-N 433.483 4.627 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F 1202943995 YNZIBSGHHQUKOG-AWEZNQCLSA-N 426.629 4.646 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2nc3ccc(I)cc3s2)C1 1203756129 BULRUOVJEHYFND-LLVKDONJSA-N 427.311 4.721 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)NCc2ccc(Oc3ccccc3)cc2)CC1 1221680145 GIZRJFJTADWPMS-UHFFFAOYSA-N 442.519 4.935 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC[C@H]3CCCc3ccccc3)C2=O)cc1 1234023160 FIJJBHWGLDLPQC-UKILVPOCSA-N 444.579 4.641 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1256074817 VIZIRSYYJHOKKX-KUHUBIRLSA-N 431.305 4.818 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)nc1 1264824160 DXSIDABKEOJRPL-UHFFFAOYSA-N 432.867 4.778 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)C(F)(F)F)cc1 1272444476 SXVJHNHZQFEALD-GTNSWQLSSA-N 432.364 4.994 30 10 IJEE CC1(C)Cc2c(Br)cccc2[C@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1274149744 CMVXFKVQGFAGPD-MRXNPFEDSA-N 438.247 4.788 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)N1CCCCC1 1286273018 FALXKJQGWSPNAX-WIYYLYMNSA-N 437.975 4.877 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1ccncc1 1286405990 OWWOJNQDHXVUFH-UHFFFAOYSA-N 441.535 4.523 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)=C(C)C1 1286561938 HNGOPXQUAOVWLL-GXRSIYKFSA-N 428.621 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1nc2cccc(Cl)c2n1C 1286577810 BFTMIUUSGMAJBB-GOSISDBHSA-N 428.968 4.511 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286584867 VFMNAEPYPYQZMF-LEWJYISDSA-N 432.616 4.848 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](C)C1 1286633153 HJLPEIDOXXYDLY-BETUJISGSA-N 431.751 4.530 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286635839 CUXWGNZCFHDPPL-HOTGVXAUSA-N 440.444 4.895 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cc2ccccc2o1 1286717707 HHVPZNCBPUQCHW-UHFFFAOYSA-N 426.318 4.647 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ccc(F)cc1 1286747550 JYQZKFAEJSUUMP-QGZVFWFLSA-N 436.560 4.876 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1Cc2ccccc2C1)C(C)C 1286751794 TXCQHMBXAHKQNB-DEOSSOPVSA-N 430.600 4.502 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@](C)(OC)C1 1286834552 GMTYACSJVLEHOZ-QFIPXVFZSA-N 432.659 4.803 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@@H](C)C1)C(C)C 1287710731 ASQIEZKAJKUNCL-LEWJYISDSA-N 439.604 4.805 30 10 IJEE Cc1nc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@H](C)C#N)sc1C 1289148312 HINMGGJWNZQQPJ-UKRRQHHQSA-N 444.992 4.789 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 1289585782 DJWBADKVCZSPQB-PMERELPUSA-N 441.431 4.655 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](CCN(CC)CC)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1289798217 WHWOJMFYMSJKJW-GJZUVCINSA-N 443.632 4.922 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F 1299260446 SBPBODQGQXRKPP-UTKZUKDTSA-N 430.495 4.834 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2C)n1Cc1c(C)sc(C)c1Br 1300449738 NBCPTKBWANSXDG-UHFFFAOYSA-N 429.387 4.812 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccc(C)cc1 1300476549 NFORRYGKBHKXKH-NHCUHLMSSA-N 426.630 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCC[C@H]1CCCCO1 1300617188 VHQGTLLFTVUNEU-QGZVFWFLSA-N 431.378 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)c1cccs1 1300909361 QFSYSCDLKHJPJX-XMMPIXPASA-N 448.596 4.502 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CCOCC 1301017226 HRTMQONDMUYIMZ-MRXNPFEDSA-N 427.376 4.914 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1301027827 YLWOYTGKDNDMIB-LJQANCHMSA-N 444.366 4.886 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301137619 SWWXCBBADXCICE-GOSISDBHSA-N 429.634 4.808 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1301166041 ORLCWRXXXVTZRF-HFZDXXHNSA-N 446.599 4.736 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1301201923 BINZIXAVDDVGJB-UXHICEINSA-N 441.595 4.834 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](OC)C(C)(C)C)C1CC1 1301317335 QGSDWHKQKUGHSP-SFHVURJKSA-N 433.394 4.924 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1301331547 OQLYVOMFUJVSTM-NRFANRHFSA-N 444.023 4.786 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)OC 1301348946 DDWZYJYGNIRRHI-BHDDXSALSA-N 426.605 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[C@@H](O)C1 1301358034 VKCDBFVOZRNSKN-UYAOXDASSA-N 438.597 4.759 30 10 IJEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCCS1 1302064971 FNNAMYGAIJEZMM-NRFANRHFSA-N 439.629 4.781 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCC(F)(F)C1 1303063400 GQLCWAZFTQZONG-KRWDZBQOSA-N 445.514 4.875 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCCCC1)OC 1305358650 HLOFBIIPSIMFHA-AVRDEDQJSA-N 425.577 4.559 30 10 IJEE C=CC[C@H]1CCN(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)C1 1311343202 DCGQZCIVWXNFSE-PGRDOPGGSA-N 433.552 4.925 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccccc1 1312130255 LXFMAKOLFYLGEY-QPPBQGQZSA-N 432.907 4.874 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1312131269 KSCDKTJLNRADKT-QHCPKHFHSA-N 426.582 4.534 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl)c1ccc(Br)cc1 1312528915 GPJYNWJKPFWIPP-ZNZDAUKMSA-N 435.749 4.852 30 10 IJEE C=CC[C@@H](CC)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1312599749 DTAMSOTVFLRTPN-HJNYFJLDSA-N 445.604 4.832 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)CCc1ccc(I)cc1 1312628318 DKNRVGMBPVAABV-CRAIPNDOSA-N 426.342 4.753 30 10 IJEE COC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1315279774 GEYAGHYWIGKBLR-JOCHJYFZSA-N 443.592 4.670 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 1350765717 LYOQBACEOCDOLM-SFHVURJKSA-N 443.565 4.514 30 10 IJEE C=CCN(C(=O)c1ccccc1C(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352003620 JTFQQFAKBXPOFZ-UHFFFAOYSA-N 448.516 4.984 30 10 IJEE C=CCN(C(=O)[C@@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1)c1nc(-c2ccccc2)cs1 1352764489 STPFLAPBYZFRQE-YADHBBJMSA-N 449.624 4.577 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3ccc(OCC)cc3s2)CCCN1C(=O)OC(C)(C)C 1355528090 MSKPDCUUKSLBFM-JOCHJYFZSA-N 431.558 4.979 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)C1 1359095350 NPBFHGUHQIVNOP-NOXFTYBFSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC[S@@](=O)C(C)(C)C 1359107002 ABNMIVCOOSDAJB-NOVUIFNWSA-N 436.597 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1conc1COC 1359108959 JYCYUJPWSHRCLA-INIZCTEOSA-N 441.601 4.717 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1359153552 KFFBTMNZMKIRGA-JLTOFOAXSA-N 444.004 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359190444 PWQSIJGIDAZCPA-UHFFFAOYSA-N 443.661 4.616 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccccc2Br)C1 1359217396 YFRWEOKOROYWGL-IBGZPJMESA-N 433.394 4.783 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CCc1sc(C)nc1C)C1CC1 1359252732 DTOOSGFVXHKFFH-UHFFFAOYSA-N 437.613 4.945 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccs1 1359271307 QQMRKJSMDLHRMH-SFHVURJKSA-N 443.617 4.681 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCCCCC2)nc1 1359533483 BLSYERUEZBAUAB-SANMLTNESA-N 449.647 4.820 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1csc(-c2cc(Br)cs2)n1 1436117634 DTMCZCAKNIDHJV-CQSZACIVSA-N 430.352 4.923 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1OC 1436548440 JJJHPFTYZYIGGS-QLTJYVKOSA-N 434.536 4.668 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2cccc(OC)c2)cn1 1453489133 HNTSCDSNOHTUNE-SFHVURJKSA-N 446.935 4.808 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1nnn(-c2ccccc2Br)c1C 1459784817 JMRGVXRNIOKVQA-UHFFFAOYSA-N 425.330 4.557 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@]2(C)CCCc3ccccc32)n(Cc2ccccc2)c1C 1459812767 GVBQBKMIXPEJQL-HHHXNRCGSA-N 426.564 4.805 30 10 IJEE N#Cc1ccc(NC(=O)Cc2c(Cl)cccc2Br)cc1Br 1459966297 HYWNPPLBQYSQBI-UHFFFAOYSA-N 428.511 4.918 30 10 IJEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)/C=C/c1ccc(C)cc1 1463114388 SQJUTZVZGGVNTJ-RDPWEWGOSA-N 446.366 4.517 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 1464622306 JAYZGRVVFOIJJO-MJGOQNOKSA-N 427.426 4.742 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 1464920450 QHHNOKDIGVBTOI-ZWKOTPCHSA-N 432.952 4.571 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 1466315769 UBWKNIBYGGIEKU-UHFFFAOYSA-N 425.401 4.855 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)c3ccccc23)c1 1466431709 QQEFDYRWBREZKP-UHFFFAOYSA-N 442.334 4.652 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1)C(=O)OCC 1468125391 MDNUHDKHSQSYPM-JOCHJYFZSA-N 435.499 4.615 30 10 IJEE C#CCN(C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)[C@H]1CCCc2ccccc21 1468554531 IVYXTWZWMCTAHQ-VWLOTQADSA-N 438.531 4.556 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1F 1470521543 AQHUJDYYMICKSR-UHFFFAOYSA-N 444.388 4.903 30 10 IJEE CC(=O)c1ccc(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 1471625938 IFXIGHCRPGCXQY-UHFFFAOYSA-N 429.495 4.854 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@H]2C3)c1 1472257901 FHIBXOYRSXRIMM-HKUYNNGSSA-N 444.984 4.736 30 10 IJEE CC(C)(C)OC(=O)c1ccccc1C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 1473400560 FSZUAHNPPZHWFW-UHFFFAOYSA-N 433.552 4.722 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1477864682 XQFDUHFXAOVGHF-HXUWFJFHSA-N 431.577 4.524 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 1478893941 RIGXIQGWAXYRFP-SFHVURJKSA-N 439.840 4.704 30 10 IJEE C=C1CCC(CNC(=O)N2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)CC1 1479256010 FIAVGNLLONCIFV-PKTZIBPZSA-N 427.589 4.954 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C#N)cc1)C(C)(C)C 1505178727 GUMUHXQLKWYZBL-NRFANRHFSA-N 434.613 4.934 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)CCc1cccs1 1507563737 ZTYBWJOVNHNUDF-UHFFFAOYSA-N 436.581 4.650 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@@H](C)C1 1507749447 VRXDAQAODFBAOL-MRXNPFEDSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507770965 SYDBWYIXCHQJBD-TVZXLZGTSA-N 425.665 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1507801892 YTXDQFBIMPKEJR-VMBXEPDQSA-N 441.645 4.740 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1 1507849150 SEYQTMIIXJLWOS-FQEVSTJZSA-N 447.624 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cccs2)CC1 1507912708 SSFGTSOUEDHZQH-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1507988510 NNHCZUUHKSJSOX-BGYRXZFFSA-N 437.632 4.865 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccco2)C1 1508149480 AIJHPTPRSAWUNQ-AWEZNQCLSA-N 448.390 4.542 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCS[C@H](C)C1 1508159842 ZNOQPHCMGRAVKP-CQSZACIVSA-N 439.448 4.569 30 10 IJEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)CC[C@@H]2C)ccn1 1516882008 CXQWQPACPRHQJP-ROUUACIJSA-N 432.597 4.997 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)n1 1520486343 BYCXHRMXWFBUPF-UHFFFAOYSA-N 433.830 4.976 30 10 IJEE C=CCC1(CNC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)CCCC1 1525844921 ICTBJIRFMANJMM-SFHVURJKSA-N 426.479 4.877 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC1CCCCC1)C1CC1 1526183654 HWYKNWLMPQPDCL-UHFFFAOYSA-N 435.362 4.670 30 10 IJEE C#CCN(C(=O)c1ccnc(O[C@@H](C)CC)c1)[C@H]1CCOc2ccc(Br)cc21 1531554456 VDYJDJMNVUOOIL-KXBFYZLASA-N 443.341 4.621 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 1532371515 BWOYKPQPWFSLIM-UHFFFAOYSA-N 445.516 4.912 30 10 IJEE Cc1cc(-c2cc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)c3cnn(C(C)C)c3n2)c(C)o1 1533772432 DKEDOTZLROHZRL-UHFFFAOYSA-N 445.527 4.965 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(c3cccc(Cl)c3)CCC2)CCCN1C(=O)OC(C)(C)C 1535355228 ZCZZVRZOKQQMEF-DEOSSOPVSA-N 430.976 4.671 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C3(c4c(Cl)cccc4Cl)CCC3)C2=O)cc1 1536961959 DWPIAQBTMOPPPP-LJQANCHMSA-N 442.346 4.599 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OCCC(C)C)cc2F)CCCN1C(=O)OC(C)(C)C 1537764018 KTKBBIDGWUQOPT-XMMPIXPASA-N 432.536 4.982 30 10 IJEE C#CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1538199655 WWOHWCDIKNWKJQ-IIBYNOLFSA-N 442.353 4.622 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)C2CC2)c1 1538828036 IEBCLHUIQKCBFG-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCOc1cccc(C(F)(F)F)n1 1538974836 ZOMVCBNIZAPPOG-CQSZACIVSA-N 449.864 4.549 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCC[C@H]1CC 1539301599 RPOUWWXJJFQMGI-IFMALSPDSA-N 426.568 4.624 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccsc1 1539399705 QGKAGIRAZCJFNX-KRWDZBQOSA-N 440.638 4.522 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCCc2ccccc2)CC1 1539916739 MUXZENRDVGYYQY-JOCHJYFZSA-N 438.616 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1539920926 NGDQJIPRPURPNM-UHFFFAOYSA-N 443.661 4.883 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccc(OCC(F)(F)F)nc1)C1CC1 1540101907 OYJJROJIISXWKG-UHFFFAOYSA-N 447.461 4.580 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 1540550020 FRHBYZMIXCQHDN-JWQCQUIFSA-N 445.950 4.869 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 1543196686 BDUWNNYSAWIZOV-KRWDZBQOSA-N 431.492 4.840 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1545189056 HLQJDQYONCYTRR-UHFFFAOYSA-N 447.568 4.600 30 10 IJEE CCn1cc([C@@H](C)NCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)cn1 1559835195 CZCYSSPZXQWYHZ-NVXWUHKLSA-N 427.618 4.667 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(C)cc(Br)c2O)CCCN1C(=O)OC(C)(C)C 1566887716 HTHFCLCFJYTTFS-HXUWFJFHSA-N 439.350 4.747 30 10 IJEE C=CCOCCCC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1586822768 BHEOIWHRJSLQNO-UHFFFAOYSA-N 448.563 4.686 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1587013091 ZYQXAGQNYJZPQM-IBGZPJMESA-N 437.471 4.735 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1587807805 JBMMIKGHPPHCOG-OFNKIYASSA-N 449.643 4.759 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCCSC 1587922073 RBADPSQQNKBFQU-UHFFFAOYSA-N 425.627 4.980 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](c1ccsc1)N(C)C 1588020581 SBWFFRAUSBBCEV-IBGZPJMESA-N 446.045 4.658 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1ccsc1 1588089657 MPQYPPIQGCDNFR-UHFFFAOYSA-N 439.588 4.730 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1588983812 CEMBTZCNPZDKLU-QYZOEREBSA-N 430.593 4.939 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(C)OCCc2sccc21 1589626052 RTXLNQANMLJSEL-XMMPIXPASA-N 438.597 4.906 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccccc1 1593800449 NXTFEGIWVSPEGZ-BHIFYINESA-N 438.616 4.771 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(C)(C)C)C1 1593827098 WZCHBSOQEWIOEE-ZDUSSCGKSA-N 426.790 4.671 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2cscc2C(F)(F)F)CC1 1594247590 MLPJARUYCCVSEL-UHFFFAOYSA-N 433.503 4.795 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(OCC)cc2C1 1594645734 PDNQSRDAQVHLPW-UHFFFAOYSA-N 437.613 4.952 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H]1C(C)C 1595094074 MCMKAYHARSZJGT-SGNDLWITSA-N 449.599 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1csc(CC)n1 1595155887 ARURCLCWZRXNBA-GOSISDBHSA-N 429.615 4.841 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OC 1595185301 VQOHTOOJIRRZSZ-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(F)(F)CC1 1595849781 FPHKRAZBKYSHOG-UHFFFAOYSA-N 430.471 4.701 30 10 IJEE CC(C)SCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C#N 1596798190 FUZHPHZHNDLJQN-GFCCVEGCSA-N 428.425 4.507 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCCO1 1606966228 GBPHZKJVUJLQRF-REHUZNOOSA-N 431.625 4.532 30 10 IJEE C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1)Sc1ccccc1 1611562680 DOXVPVDGGOKTDR-QMHWCDLVSA-N 425.602 4.831 30 10 IJEE C=CCn1c(SCc2noc(-c3c(F)cccc3Cl)n2)nc2ccccc2c1=O 1613241173 RRPRGOPJJXPCHV-UHFFFAOYSA-N 428.876 4.717 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)c1ccccc1 1623527495 AGBBLBMRQCWMGG-HKUYNNGSSA-N 427.342 4.626 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OCCCC)c(OC)c1)c1ccc(Br)cc1 1629150548 IDKGUTSGIGMPIE-IBGZPJMESA-N 445.357 4.810 30 10 IJEE C=C(CNC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccccc1 1630055461 FBQYEXJPVZNSMD-NRFANRHFSA-N 427.504 4.597 30 10 IJEE C#CCN1CCC[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 1636965449 LPWFNHBITWREBL-FQEVSTJZSA-N 435.326 4.981 30 10 IJEE CCOC(=O)CN(CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2)CC(C)C 1644418390 DMEWKWLQARRUEB-KRWDZBQOSA-N 447.645 4.620 30 10 IJEE C#CCN(C(=O)c1cc(-c2c(C)nn(CCCC)c2C)[nH]n1)[C@@H]1CCCc2ccccc21 1645390284 VAFWAWHSVUJXNK-XMMPIXPASA-N 429.568 4.843 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1646576314 PIKSPCZDFBZJQV-IBVKSMDESA-N 444.575 4.764 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@@H](C)CC(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540031 IQUVVVNQDQFZKY-HOTGVXAUSA-N 447.670 4.754 30 10 IJEE N#C[C@@H](C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1ccccc1 1651642547 DOEUBPSCQMJFSQ-LJQANCHMSA-N 449.919 4.660 30 10 IJEE C#Cc1cccc(NC(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 1657678432 URIRKXNBSIGXBX-RLWLMLJZSA-N 447.535 4.693 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)[C@H]1CCCO1 1659480795 HJDLHLTXAQCJBF-WCQYABFASA-N 426.382 4.662 30 10 IJEE C=CCOc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)c1 1661092253 WWINFHOHZYYTHS-LJQANCHMSA-N 437.945 4.654 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 1661311739 FLHOHLOGELVJDY-INIZCTEOSA-N 447.944 4.830 30 10 IJEE COc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1-c1ccccc1 1667452764 CZVLRXNCFHUIBQ-RPWUZVMVSA-N 432.545 4.823 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)cc1 1668520428 VIUOFIQJYWMRGY-UHFFFAOYSA-N 430.483 4.706 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CCOc2ccc(Br)cc21 1668910727 IXXIGJOMNKJMJE-IXIUHKBRSA-N 431.374 4.886 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(Cc4ccc(C)nc4)C[C@@H]3[C@@H](C)CC)cc21 1673311389 GYNLPSAJXJGNQF-UQBPGWFLSA-N 446.599 4.690 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1680716559 DLVHFGOWQUBDAX-WMZHIEFXSA-N 437.531 4.918 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c1 1683339244 PSEZXWARGMHJNX-JOCHJYFZSA-N 439.600 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(COC(C)(C)C)on1 1689838999 BLWBLASYPLSBBE-AWEZNQCLSA-N 445.926 4.547 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCc2ccc(Br)cc2C1 1689934533 ZCHKNXCDRVAORP-UHFFFAOYSA-N 441.398 4.669 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1690168034 UNVNWWTUPPTOSW-KRWDZBQOSA-N 436.959 4.837 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(c2cccc(OC)c2)CC1 1690247446 AZDVJTXCVAAUDD-RDGATRHJSA-N 438.616 4.850 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)CC(C)(C)C1 1690302907 NVNUHIQVFAPGMN-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1690437609 JQWOZAKIVQGMLF-RBBKRZOGSA-N 426.605 4.937 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1690489826 DQEQGSUEHITGOP-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(OC)C1 1690499823 BIPNBFSQFZFEBN-HOYKHHGWSA-N 444.645 4.729 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCOC[C@H]1C 1690555853 GDZFLGCBYFEIML-DENIHFKCSA-N 447.583 4.522 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1690580754 FHTAFDPYVUENCR-ONJIFJTESA-N 441.664 4.987 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(C)(F)F)cc1 1690607397 LRYSGFSMEBHKET-LJQANCHMSA-N 442.510 4.770 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N(C)Cc2ccc(Br)s2)cc1 1690680171 KZPFQEDZLIUAJC-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)Cc1csc(CC)n1 1690682085 DCARLKRQKWLXHK-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1690733841 ONKBQZLXAYJTID-LPHOPBHVSA-N 427.618 4.691 30 10 IJEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)ccn1 1698372001 DLERGMPJRPPQQS-NRFANRHFSA-N 432.597 4.854 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOC(C)C 1705577774 SQMMKHZCRJNKGU-UHFFFAOYSA-N 436.556 4.701 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 1705740929 BOKHVAUKCZQSPF-YFVAEKQCSA-N 439.604 4.854 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCO[C@@H](C)C1)c1ccccc1 1705797710 AWYDHEHMWQYBEW-RXVVDRJESA-N 437.613 4.609 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C(C)C)N2CCCC2)C1 1705918052 BIRWHLRLMPSSMJ-UGKGYDQZSA-N 444.023 4.500 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1722314367 LCUGCZHKIWZZDG-QHCPKHFHSA-N 427.552 4.981 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@@H](C)C1 1722338281 GSMAAHQRYZIBDO-SFHVURJKSA-N 433.021 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(OC(C)(C)C)CC1 1722504540 NYAJTDXUAARXAC-REWPJTCUSA-N 430.637 4.776 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722523939 BUBFOSKKBLYWHM-MRXNPFEDSA-N 429.540 4.872 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCc2ncc(CC)s2)CC1 1722579854 UKOKZTLMDZWPPW-UHFFFAOYSA-N 437.613 4.564 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722600218 MDSYMRBDIOUAGP-MOPGFXCFSA-N 445.405 4.927 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722600481 NXQUGKINJODEQX-QFIPXVFZSA-N 437.632 4.871 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1722673240 MEBUGUQIZGMWAY-WHSBFGAESA-N 438.616 4.755 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N(C)Cc1csc(Br)c1 1722690821 FYLKOVOSSKDPEI-UHFFFAOYSA-N 437.338 4.643 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1723761842 GKWNEWWAIKJHBQ-OAHLLOKOSA-N 447.568 4.804 30 10 IJEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1 1726541417 IETYEMOGAYWKFY-ZHRRBRCNSA-N 447.505 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1ccc(-c2ccsc2)nc1 1740550287 HQECQVXGDOTJGR-IBGZPJMESA-N 427.577 4.807 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1740569783 JQYITMGQEMWBAL-UHFFFAOYSA-N 442.954 4.962 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CC)CCCC1 1740681044 ANTZAEMCNFNNGH-UHFFFAOYSA-N 430.980 4.664 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)C[C@H]1CCCO1 1740712114 XFEXHJUUTVAFMU-PKOBYXMFSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCc1csc(CC)n1 1740734706 MMIIRIZTQVEJDP-RUZDIDTESA-N 449.624 4.728 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2Cc2cccnc2OCC(F)(F)F)CC1 1740834852 JYCXAECUINNOMO-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](CC(C)C)N(C)C)CC1 1740840975 FIACKMXRYNGEDV-QHCPKHFHSA-N 439.648 4.853 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740861838 AXFRTIFXEFKKHN-LJQANCHMSA-N 436.535 4.587 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1740875104 RSJWWXODQLIATB-UHFFFAOYSA-N 448.615 4.868 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1C 1740916968 CGEYRIUTMWNEEZ-DLTYFMDKSA-N 449.599 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CCC(=O)N1CCCCCC1 1740922245 AHFUXEDNUSTKJL-IBGZPJMESA-N 429.634 4.838 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCc1ccc(Br)cc1 1740930967 WGWIWBBGRMJWSS-LJQANCHMSA-N 431.378 4.703 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)C1 1740984869 LBZHUVOHUUKRQQ-KNQAVFIVSA-N 449.020 4.578 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@H]1C 1740997345 YPANEMUGZJTLOR-CVEARBPZSA-N 439.050 4.932 30 10 IJEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)Cc1ccco1 1741758189 BDAFZANOJLHHTF-UHFFFAOYSA-N 431.496 4.635 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)CN(C)C 1748648147 YUNYRFZANKUELN-OAHLLOKOSA-N 430.021 4.859 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCc2ccccc21 1748735142 PLEPYSZFQJFELH-IBGZPJMESA-N 438.373 4.583 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCc1ccc(Br)s1 1749065990 FRVSJSJKNIFNPH-OXJNMPFZSA-N 449.418 4.579 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1749109288 GUDRCNXCAUWQJA-IRXDYDNUSA-N 433.394 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 1749140802 SOVZCHTZBARUPE-CSEOROSGSA-N 430.637 4.660 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)N1CCCCC1 1749473381 GTDWOIUMENJJAK-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1749512707 ASPANKGFMDLXSY-VQTJNVASSA-N 447.505 4.973 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCC[C@H]1C 1749528055 BKKGRPCMVVAXND-CJAUYULYSA-N 436.556 4.599 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H]1CCSC1(C)C 1749551397 YYZFKSOMAQUGQD-MRXNPFEDSA-N 426.615 4.521 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)cc(C)c2)n1CC1(C)COC1 1749552944 LHFXUCQOFYMGPJ-UHFFFAOYSA-N 438.597 4.765 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCNC(=O)OC(C)(C)C 1749554747 YAAZSYGQZPYUOW-UHFFFAOYSA-N 431.606 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCO[C@H]1CCCC[C@@H]1C 1749560752 AKAYBZDFNWNJHE-LPHOPBHVSA-N 448.409 4.809 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CSCCS1 1749584821 RXCKPRDBEXHBON-NHCUHLMSSA-N 444.670 4.603 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCSC2)c1C 1751317523 FEXIZPCVMYVDJJ-AZUAARDMSA-N 425.602 4.528 30 10 IJEE CC1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 1752258092 HBWJZBKTLOQNTG-HSZRJFAPSA-N 434.632 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1760102650 NYIWMNBKEDBDJQ-LUKYLMHMSA-N 443.389 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1N(C)CCCC1(C)C 1760289444 OUTBRFWATUKCBE-QHWMMSMNSA-N 433.644 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCCC1(F)F 1760298410 HELWUUOCQAZSAO-WMZHIEFXSA-N 428.527 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760339513 LBQGTYAMEJKCQM-FGZHOGPDSA-N 434.632 4.804 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1760346671 WNBIIKJUBKWKAX-FQEVSTJZSA-N 438.620 4.789 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1760359227 JRJVQDGZLLJNRR-PGRDOPGGSA-N 437.613 4.609 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1csc(CC)n1 1760377424 BASFJLJZLVTUNJ-UHFFFAOYSA-N 426.977 4.758 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1760411812 DBWPMXZSOQTEMA-NHCUHLMSSA-N 426.580 4.983 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1760419865 DNNJHKKHXHLRMC-DCDYHQBJSA-N 438.616 4.913 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCCCC1 1760479599 UWNYBPLTOOHLSZ-UHFFFAOYSA-N 443.599 4.602 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1760499481 ZNPHZAAWFDCICV-IBGZPJMESA-N 439.604 4.646 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ncc(CC)s2)C1 1760536474 HPWMTJXAOMOHIK-TZIWHRDSSA-N 437.613 4.669 30 10 IJEE CS[C@H](C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N 1770409332 HFZYFPRCERLEAV-HUUCEWRRSA-N 426.615 4.724 30 10 IJEE Oc1c(Br)cc(Cl)cc1/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2 1860500551 XAOJLWMWUUXISE-ZVBGSRNCSA-N 442.810 4.575 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861194691 RFWNDHOMPUMTBF-ISKFKSNPSA-N 447.639 4.799 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862412141 XQJQDXBXVGKEAA-OAQYLSRUSA-N 439.389 4.588 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2C(=O)O)cc1 1862477312 KQUWLXSBQQMZDK-HSZRJFAPSA-N 441.483 4.514 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2F)c1 1862490805 DRKNDZBGAPAGOJ-QFIPXVFZSA-N 434.442 4.755 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862562608 JMXKMTKPILNMFP-IBGZPJMESA-N 449.334 4.581 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(Cl)c2)cc1OC 1862569953 YTPOHRKBVNVGMW-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(F)c2)cc1 1862590991 SHNXUWHGRZANEK-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1c(F)cccc1Cl 1862609776 VIKPGCUUEYACPY-FKIZINRSSA-N 445.874 4.627 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)cc1 1862663319 RQHFBYRGRLMBEL-QHCPKHFHSA-N 437.536 4.909 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 1862681270 WNNDUISMWLLXGS-KPZWWZAWSA-N 432.289 4.965 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1862759560 UVCRHLIALCGHPE-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2Cl)=C(c2ccccc2[N+](=O)[O-])C1=O 1862868371 FDQAYMXOTDSFIS-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(Cl)c2C)C(=O)N(c2cccc(C#N)c2)C1=O 1863060645 YGMNRFFOLCHHAA-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE Cc1cc(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)ccc1F 1863094957 JJIFIEDSQFFUJU-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE Cc1cc(C)cc(OCCN2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)c1 1863486152 WONGPTJFDPIBHO-UHFFFAOYSA-N 443.528 4.508 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccco1 1864475591 GHPLIDWFHMEUCE-OAQYLSRUSA-N 442.604 4.866 30 10 IJEE CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccccc1C#N 1866826058 MVERTPGEKXMBCS-JOCHJYFZSA-N 443.551 4.503 30 10 IJEE CCc1ccc(-c2nc(CC(=O)N[C@@](C)(CC)C(=O)Nc3ccccc3C#N)c(C)o2)cc1 1867179794 AXGJSDGPDSLDHS-SANMLTNESA-N 444.535 4.550 30 10 IJEE C=CCOc1ccccc1OCC(=O)NC[C@H](Cc1ccc(OC)cc1)c1ccccc1 1868035589 MYXMYZOVPLFNEP-QHCPKHFHSA-N 431.532 4.782 30 10 IJEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1870156738 BQECAEXYHCTRHM-UHFFFAOYSA-N 444.322 4.860 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CNc2ccccc2CC)cc1=O 1870813237 CMXCWSWGZHDOOX-VWLOTQADSA-N 447.579 4.596 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc(CC)cc2)cc1=O 1870813929 LOLHMNCSHRVHTG-UHFFFAOYSA-N 434.536 4.675 30 10 IJEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870827729 UODRISBRFGAZJA-UHFFFAOYSA-N 440.927 4.896 30 10 IJEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(CCCCN2CCCC2)CO1 1871348289 BXGQPBUJIMHHIT-OHWIZXHISA-N 430.548 4.887 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(CCc1cnc[nH]1)CO2 1871355397 JFDWYTXSFLCLGH-RMORIDSASA-N 429.520 4.852 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(F)c1)C2=O 1871394275 OHRJUXMASARRCG-HAHDFKILSA-N 432.495 4.916 30 10 IJEE Cc1c(OCC(=O)NCc2ccco2)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 1871444842 AHUPPGOCSSUFKP-JMIUGGIZSA-N 441.842 4.692 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)nc(Nc2ccc(OC)cc2C)[nH]1 1871692650 ICQSNZUNSLTPBF-UHFFFAOYSA-N 434.588 4.835 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871763467 CKGMCNUFBMQIMT-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871890441 IHUWXAWFFPTELL-YWZLYKJASA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872291748 MJYUCIOSBZDCIL-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872414157 WYKCBTUEFCGNIV-JOCHJYFZSA-N 446.638 4.549 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872510774 DKZCPKSTPDCTHS-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872532582 KTUSAYHCORROSS-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)CCN3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872786627 OMOBWBOSYUDDMM-LJQANCHMSA-N 443.528 4.598 30 10 IJEE CCCCOc1ccccc1/C=N/Nc1cnn(-c2ccccc2)c(=O)c1Br 1873526183 RJFCLUNPLUGXAM-OEAKJJBVSA-N 441.329 4.620 30 10 IJEE N#Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 1873868446 DDUSFCRCHOMVKS-HSZRJFAPSA-N 425.488 4.842 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)c(O)c1 1874321141 BRJPOZURRLOCCS-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccc(F)cc2)nnc1C(C)(C)C 1874483722 JIWJHOQZOILVFT-SSDVNMTOSA-N 431.562 4.698 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1nccs1 1874578624 YIWFXGZFZCJWJN-JXMROGBWSA-N 428.897 4.719 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1ccccc1 1874624929 DESZDVLANLWIJQ-MDWZMJQESA-N 435.451 4.757 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OCCO)c(Br)c1 1874634691 PAMYEVPYDOVNEP-HWKANZROSA-N 425.706 4.687 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 1875126919 ZQUMFKJIBOTGEU-GSXXRBPTSA-N 445.855 4.627 30 10 IJEE C=C(COCCC)[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479295 KWYVQRGAZLFBHR-XZOQPEGZSA-N 434.621 4.838 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1950332801 QTPOQGLOVJMFKN-DQEYMECFSA-N 427.589 4.597 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NC 2047967662 LCBNKCRUGNUJKD-SJORKVTESA-N 429.786 4.540 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NC 2047972681 FVCFSAQPCKNBOM-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)[C@H](C)c2cc(Br)cs2)C1 2077090698 VRFSLNGIYRTYDH-GFCCVEGCSA-N 429.380 4.644 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CNc1cc(Br)cc(F)c1C#N)C1CCC1 2137701999 PNQSRHNNSUYEDO-IBGZPJMESA-N 426.330 4.955 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2ccc(Br)c(F)c2F)C3)OC1(C)C 2194188901 TWTGNOBPRJYXHC-ORAYPTAESA-N 428.126 4.786 30 10 IJEE CCCc1ccc(C#C[C@@H](NC)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223316226 OYIZENSJQZFSRF-JWQCQUIFSA-N 436.596 4.689 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2235718187 CXYYDUKTLOSFBI-PERKRYKHSA-N 433.390 4.568 30 10 IJEE Cc1cnc(N(C)[C@@H](C)c2cscc2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241092952 MHHFAWQOHWLEIO-ZDUSSCGKSA-N 437.212 4.711 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@@H]1C#N 2243924193 CRUJWMVKRYRFIB-AYCKEJKLSA-N 445.563 4.748 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCN(Cc4ccccc4)[C@](C)(C4CC4)C3)CCC2)OC1(C)C 2267000070 SFPGPTSUGKVTHV-VWLOTQADSA-N 438.421 4.516 30 10 IJEE CC1(C)OB(c2csc(C(=O)NCc3ccccc3OCc3ccccc3)c2)OC1(C)C 2267134108 LAPVSYNHSYGIHV-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE Cc1cc(C(=O)NCc2cc(Cl)sc2Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282606265 PCYUCKFPGQBPAJ-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C[C@@H](c1cscc1Br)N(C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2283011510 GOVIBXPIXMJWOE-LBPRGKRZSA-N 437.212 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](O)C#Cc3cccc(Br)c3)C[C@H]21 2296232121 KRKHZEJSVWGOQL-RAUXBKROSA-N 434.374 4.587 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(N)C#Cc1cccc(Br)c1 2296283254 DRKQQUVFMIMENZ-HTAPYJJXSA-N 433.390 4.603 30 10 IJEE COc1ccc(N2COc3ccc4c(c3C2)OC(=Cc2ccc(OC)c(OC)c2)C4=O)cc1 2296602962 WMWMONUJAAWMIO-UHFFFAOYSA-N 445.471 4.685 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O 2297484856 ZTVDYUQDNFXOLO-UHFFFAOYSA-N 440.477 4.537 30 10 IJEE N#Cc1cccc(C(=O)OCC2CCN(C(=O)C=Cc3ccc(Cl)cc3Cl)CC2)c1 2321075816 LKFWVYLCAADGBG-UHFFFAOYSA-N 443.330 4.974 30 10 IJEE CCCSc1nnc(C)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2321173281 OYZQLGZRUOHBMN-UHFFFAOYSA-N 427.368 4.529 30 10 IJEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(CCc2cnc[nH]2)CO1 2322199149 BMUBPNZCNRYZRT-UHFFFAOYSA-N 442.302 4.727 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 2322485481 JIEXTBLIBAQCOM-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323075890 KHCWWQGDMDXMNU-UHFFFAOYSA-N 434.419 4.825 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCCO)c2Br)cc1 2323154334 YDRKEBSEIZJNNP-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc2c(c1)OCCO2 2323584848 FYJYOWZOFCHCOT-QFIPXVFZSA-N 442.600 4.719 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Br)c1OCCCO 2323613335 QUPGQURWFFGPAG-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1OCCO 2323889687 OVPWJRINVGHWJY-UHFFFAOYSA-N 426.252 4.568 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)ccc1OCC(=O)NCc1ccco1 2324381242 IYZDPNNHCKLIEY-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE C=CC[C@](C)(NCc1ccc(I)c(Br)c1)C(F)F 2325204085 KYXXZONKZIAEJI-ZDUSSCGKSA-N 430.074 4.743 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccn2)cc1 2325441973 LTAYYIJMGHVWEN-UHFFFAOYSA-N 444.520 4.541 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(OC)c(OC)cc1OC 2325549706 KVBGDVNCILSRAU-UHFFFAOYSA-N 444.532 4.570 30 10 IJEE CCOc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCCO)cc1 2326627410 MPBPTUMJPNGTSQ-UHFFFAOYSA-N 446.576 4.582 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)cc1 2328567208 IQAVHIYPGUDWQB-UHFFFAOYSA-N 429.549 4.837 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1N=Cc1cccc(Br)c1 2329920292 VZZQXNRMFWHAQF-UHFFFAOYSA-N 429.343 4.780 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)c1OC(=O)CCOC 2330868935 KWZCGFUXUOAJFY-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2Cl)o1 2331393869 CFRZNXFVDHAZLU-UHFFFAOYSA-N 432.933 4.783 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1C 2331432529 DNZHNKMGUMUSKI-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(Br)cc1Cl)NCC)C(=O)OC(C)(C)C 2337910640 AOAWCVWGTPXODC-KRWDZBQOSA-N 443.813 4.884 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339584864 HMFJOPLURKLUGE-NUPXTWTDSA-N 444.381 4.798 30 10 IJEE CN(C[C@@H]1CCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339592866 XICKNYYCUNJVCD-KQDNUWKFSA-N 443.397 4.562 30 10 IJEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Br)cn1 2362111957 HRBXCUYYCTXVHG-INIZCTEOSA-N 436.281 4.998 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1OC 2365241256 NWJRKFMFRSECPC-ZWKOTPCHSA-N 439.394 4.723 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)C#Cc2ccnn2C2CC2)c1 2367758157 PCVMTAPZPFIMSR-UHFFFAOYSA-N 430.302 4.562 30 10 IJEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NC1CCCCC1 20830965 DFBSAICWAVVJBM-UHFFFAOYSA-N 435.597 4.770 30 10 IJEE CCCCSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 20850249 NKLWCOWSCQCHAU-GOSISDBHSA-N 427.530 4.737 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3cccc4ccccc34)n[nH]2)cc1 20908055 HAKKUMMFZPPQAI-BUVRLJJBSA-N 430.537 4.833 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 34955564 CAMVDAAGPYVQDY-MDWZMJQESA-N 448.471 4.836 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccccc1 102501853 JOXUUAMGHIRBOM-LCPUNJGISA-N 433.847 4.665 30 10 IJEE O=C(/C=C\Nc1ccccc1I)c1ccc(Br)cc1 103889056 LRWGNFWWOCHGGI-KTKRTIGZSA-N 428.067 4.862 30 10 IJEE Cc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1 105337628 CDSUYYKEHRLDOY-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc(Cl)c1OC 169934833 OAJSMQCTUVPKJA-IBGZPJMESA-N 430.957 4.765 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(O)c(OCC)c1 169974479 YCFCMNBOKWKGOP-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccs2)cc1 169984883 OMGDDQQUVKTUBN-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)cc1 170016670 MGUAHJQRNAXXTK-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(F)cc2)c1 170061030 KJCBPYPNNWXQTC-NRFANRHFSA-N 439.389 4.895 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12 170076875 LEVHRNHOTPBHLE-DEOSSOPVSA-N 426.472 4.858 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(OC)cc1 170115983 MHCPQTMBLQZJRE-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCOC(C)C)[C@@H]3c3cccc(C)c3)oc12 170139969 KGWVNQMAEIQFDJ-JOCHJYFZSA-N 449.503 4.753 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(C)c1 170147852 IEYXRFBUSPMTKG-NRFANRHFSA-N 426.944 4.569 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1C 170158131 GAZSXTUGDCSJCN-OAQYLSRUSA-N 433.485 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccccn1)c1c[nH]c2ccccc12 170169323 GWFBPVVZMNZHOT-OAQYLSRUSA-N 431.398 4.624 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccn2)cc1 170175984 JEUDXXJWYTWBIK-XMMPIXPASA-N 431.451 4.889 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)cc1C 170183260 CBZMRPQVPXHRAH-OAQYLSRUSA-N 434.517 4.629 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(OCC)cc1 170214536 ATZIOFHYEKAADC-LJQANCHMSA-N 428.554 4.927 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1 170224484 FJWAVKATBSYZNZ-NRFANRHFSA-N 435.863 4.837 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)N(C)CCO3)=C(O)C(=O)N1c1ccccc1 170314910 OJNLVKIILMTHMV-OAQYLSRUSA-N 446.528 4.668 30 10 IJEE CC(C)(C)Oc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(O)cc2)cc1 170447987 KYTWTKWWKPWJTE-JOCHJYFZSA-N 447.487 4.941 30 10 IJEE C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 248265448 SHZJQXCNNPWREO-SYMSJMEQSA-N 435.955 4.862 30 10 IJEE CN1C(=O)/C(=C/c2cccn2-c2ccccc2)SC1=Nc1ccc(N2CCOCC2)cc1 254734647 KCSSYSHFGDUCOO-YJMOJNCUSA-N 444.560 4.548 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 503033081 OWEFNYACQPPLAK-XMMPIXPASA-N 435.480 4.559 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 508475457 ZVSGTGZLBPJHIH-UHFFFAOYSA-N 428.993 4.523 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](COc2ccccc2)C1 508910163 AKDJJEJCNCKMBH-OYDLWJJNSA-N 430.552 4.615 30 10 IJEE COc1cc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)ccc1O 526825207 ACKQGNZSJYXBIE-YSMPRRRNSA-N 448.523 4.897 30 10 IJEE Cc1cc(C)nc(-n2nc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2C)n1 541998663 WRBGMULLNJHUQG-IBGZPJMESA-N 436.519 4.617 30 10 IJEE N#CCCCOc1cccnc1NC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 548978652 TVFRNBSCUOURMY-HXUWFJFHSA-N 436.409 4.886 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 549641562 RAHPTXNQKNEEHX-AREMUKBSSA-N 446.551 4.564 30 10 IJEE Cc1ccc(C)c(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)c1 586301518 GRLSSGHINNAPKF-UHFFFAOYSA-N 448.544 4.998 30 10 IJEE CCc1ccc(S(=O)(=O)OC2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)cc1 586506677 ZFDMWWUDUFAUBB-UHFFFAOYSA-N 436.961 4.741 30 10 IJEE C[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)c2)C[C@@H](C)O1 586683798 GGGOWJXQYICJDB-HUUCEWRRSA-N 440.569 4.811 30 10 IJEE C=C(COCCC)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693652568 XBWYDAPARHYKHZ-QHCPKHFHSA-N 445.648 4.507 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@]3(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698493969 RZLHRZYDLMQCPF-PBKMULLSSA-N 439.556 4.966 30 10 IJEE Brc1cc(I)ccc1N=C1N[C@@H](C2CCC2)CS1 717649038 KKZAGNNUTQZQQP-GFCCVEGCSA-N 437.144 4.546 30 10 IJEE CN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)c1ccc(C#N)cc1F 729653681 HAYOZDUOGDVFFS-UHFFFAOYSA-N 439.446 4.960 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/[C@H](C)c1cccs1 742213644 LKFKNWVKELBVQL-WWUPYOLOSA-N 443.569 4.690 30 10 IJEE O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 752306003 CQFHVKQYLMDKGF-UHFFFAOYSA-N 443.846 4.794 30 10 IJEE CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2ccc(C)cc2)C=C1 762438137 JURBXLOQQGCVQM-UHFFFAOYSA-O 444.536 4.739 30 10 IJEE COc1ccc(CNC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1C#N 767896674 XDXZPBWUAPDLGZ-SFHVURJKSA-N 432.293 4.515 30 10 IJEE C=CCOc1cccnc1C(=O)OC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 775240004 HSNMJAWZUWXSBV-UWJYYQICSA-N 434.458 4.905 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1cc(F)ccc1Br 784830901 DVONLVOCLJKKMA-SFHVURJKSA-N 445.332 4.993 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 800783832 NGPKQXXGVWFAKP-UHFFFAOYSA-N 431.874 4.506 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cc1 1125399040 PZIYUUVLMGQHCP-UHFFFAOYSA-N 427.888 4.634 30 10 IJEE C#CCN(C(=O)c1ccn(Cc2ccccc2)c1)[C@H]1CCOc2ccc(Br)cc21 1126151676 SLWWDRCTSQMTQF-QFIPXVFZSA-N 449.348 4.898 30 10 IJEE C#CCN(C(=O)c1nc2ccccc2cc1C)[C@@H]1CCOc2ccc(Br)cc21 1126229906 RUHWABIGKBSZIY-HXUWFJFHSA-N 435.321 4.905 30 10 IJEE C#C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1129616857 XDUZDTFYSKNVMD-FPOVZHCZSA-N 438.852 4.724 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 1130322173 CPEYWWRLFOVOQT-RBUKOAKNSA-N 443.341 4.506 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 1135483641 GHRAFPDIKGZIDT-UHFFFAOYSA-N 438.774 4.980 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3cccs3)c3ccc(OC)cc3)n[nH]2)c1C 1144705279 YNASTDRUXRHZQL-UHFFFAOYSA-N 447.564 4.993 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(C)(C)C 1152113765 HZQVFTWNXPQCKB-KRWDZBQOSA-N 445.951 4.665 30 10 IJEE C=C(CC(C)C)C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1155600117 UGRFVCNZWLGEIQ-UHFFFAOYSA-N 431.330 4.668 30 10 IJEE C=CCn1c(SCC(=O)c2nccs2)nc2cc(-c3ccccc3)sc2c1=O 1165303894 VFQYRXMDTGKXFN-UHFFFAOYSA-N 425.560 4.743 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)COc2c(F)cccc2F)cc1OC 1179122626 GCEUBRNXKUYAPA-CYBMUJFWSA-N 442.300 4.858 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)C1=Cc2ccccc2OC1 1186574616 BOYUSZOTICFWDG-UHFFFAOYSA-N 434.492 4.776 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 1188169499 IVMZKPHBXJSJHR-UHFFFAOYSA-N 433.455 4.722 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(Cl)cc1F 1200137408 XMQHTVMJVUYKEZ-CQSZACIVSA-N 433.764 4.649 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@](C)(O)c1cccc(Cl)c1 1206203870 XDKCDYVINZEVGO-LJQANCHMSA-N 439.737 4.697 30 10 IJEE C=CCC[C@@H](NC(=O)NC1CCN(CCCOC)CC1)c1ccc(C(F)(F)F)cc1 1221647813 ZICGWWRZEKXYQB-HXUWFJFHSA-N 427.511 4.513 30 10 IJEE C=CCC1(NC(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1222555184 UZJVOJQMDQHPQP-QHCPKHFHSA-N 440.609 4.930 30 10 IJEE C#C[C@@H](NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F)c1ccccc1 1225465285 LCODZUVKKFCIQB-MRXNPFEDSA-N 441.247 4.520 30 10 IJEE C=CCCC1(CNC(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCCC1 1225877657 CAAKPJMCNSYGTG-IBGZPJMESA-N 448.405 4.689 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 1251830482 GVXVCQNEPKGLQK-VRUMLPLGSA-N 435.612 4.625 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1CC(F)(F)F)c1ccc(Br)cc1 1252457786 FFFLFQUBVUSHBZ-QGZVFWFLSA-N 425.248 4.728 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(SC)CCC1 1286282080 MZNNAGRTLDWUGV-LBPRGKRZSA-N 425.421 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)cc1 1286554823 IKPIZCVLKZYCBH-UYAOXDASSA-N 445.405 4.926 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](COCc3ccccc3)C2)nnc1C(C)(C)C 1286565108 JBQKCQMRPNLODL-ZLNRFVROSA-N 438.616 4.600 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1286586042 UUIWIFMYHMINNN-IOMROCGXSA-N 428.552 4.917 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(CCOC)CC(C)C 1286589299 YOXDXVBFTCFQGU-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1286668291 QWMFHXXBMNAUSR-UHFFFAOYSA-N 429.572 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC(C)(OC)C1 1286668782 VYYNCFAYZSRRSC-UHFFFAOYSA-N 425.396 4.597 30 10 IJEE C=CC[C@@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 1286681389 MVFLGVVYZXNLCP-FQEVSTJZSA-N 446.517 4.938 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286689089 JBXZUQABCIJEOQ-UHFFFAOYSA-N 448.468 4.600 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1286723939 COJXPXOSAVGSGM-UHFFFAOYSA-N 441.366 4.802 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC(=O)N1 1286746800 ANRMKCXOUKOQSJ-HXUWFJFHSA-N 449.624 4.775 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCOc1ccccc1Cl 1286749443 SEMYPQKLPFXKAL-QGZVFWFLSA-N 444.988 4.769 30 10 IJEE CC(C)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1)c1cccs1 1287092685 ADLSYMNKYSCVHY-UYAOXDASSA-N 441.645 4.976 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1287317814 DBIDDRFUYZKDRN-REWPJTCUSA-N 442.007 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)C 1300556255 GGPBKIPSGXTDDT-FQEVSTJZSA-N 442.991 4.576 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCC1CCN(CC)CC1 1300641531 BXEJCALMGPOWPJ-FQEVSTJZSA-N 425.596 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1CCN(CCC)CC1 1300808571 NJSKXOQGWUJLNU-RUZDIDTESA-N 440.035 4.636 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(C)ccc1F 1300930825 MYSXYXDDDXADEP-UHFFFAOYSA-N 432.341 4.706 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(OC)C2CC2)CC1 1301073242 YNJUISJXXIULHQ-IBGZPJMESA-N 437.407 4.741 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1301074518 ANCWQDRUCIWCLN-GOSISDBHSA-N 425.577 4.571 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCN2CC)CC1 1301105116 DQMYEPVTLVGKDK-SIKLNZKXSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1301194541 LQOLPENDKCNAPG-UHFFFAOYSA-N 434.588 4.639 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(SC)c1)C1CC1 1301333887 CSQWNWLQTNMGAQ-UYAOXDASSA-N 427.618 4.517 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COC 1301365112 HHAFYMZNACPOSB-MISYRCLQSA-N 432.634 4.733 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)CCOCC1 1302599022 AMSWIIKIWYFFDQ-GOSISDBHSA-N 439.629 4.601 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2Cc2ccc(Cl)s2)cc1 1304403252 FERWXLJLTXYRDR-UHFFFAOYSA-N 427.961 4.669 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C[C@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1 1307440567 OOFOFWYNLPZFEE-QHCPKHFHSA-N 435.568 4.863 30 10 IJEE C=CCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)OCC 1307685985 XVEWMBOYVDOSDN-HXUWFJFHSA-N 447.329 4.520 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCS[C@H](c3ccccc3)C2)n(-c2cccc(F)c2)c1C 1307903747 FAGCMRLIZFNSEF-QHCPKHFHSA-N 448.567 4.834 30 10 IJEE COc1ccc(C[C@@H](C)CN(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)cc1 1309364732 HQUXBPFLCMNGBF-OAHLLOKOSA-N 428.579 4.589 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)c1ccc(Cl)cc1F 1309489497 RHDKTRFNEOBCMT-SFHVURJKSA-N 442.339 4.964 30 10 IJEE C#Cc1ccc(NC(=O)NCC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(Cl)c1 1311263109 OGGCBEACSNETMN-IBGZPJMESA-N 441.959 4.969 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 1351574225 FGFTYIISPMIICD-UHFFFAOYSA-N 427.327 4.783 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc23)c1 1354863076 WBGZYZBLHUCSGX-UHFFFAOYSA-N 433.511 4.868 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1 1357473977 ARSZBOSHGFODNT-UHFFFAOYSA-N 441.354 4.686 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1358916764 WFSHVQYIWCIEBV-DHIUTWEWSA-N 449.643 4.765 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCc1nc(C(F)(F)F)cs1 1358939830 GRTIBCFMHYTIBQ-UHFFFAOYSA-N 445.514 4.536 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@@H](F)C1 1358988588 VTUKMFWUADRIKR-PKOBYXMFSA-N 443.364 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@](C)(O)c1cccs1 1359107609 QHPKXZKXVKFINL-GAJHUEQPSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC1(c2ccc(F)cc2)CCOCC1 1359110657 WHEFUMGUBUKBCU-UHFFFAOYSA-N 437.563 4.574 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@@H](COC)C1 1359201282 IRPZHYXRRQMBGV-OAQYLSRUSA-N 434.588 4.740 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCCN1CC 1359232712 BXXOUOYMWQGMHJ-FQEVSTJZSA-N 436.629 4.874 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCSC1(C)C)C1CC1 1359249254 UGXMDXWBFJLMAG-MRXNPFEDSA-N 428.602 4.649 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@@H](OC)C(C)(C)C 1359260813 OSMMKIRJUMESJK-PZJWPPBQSA-N 430.568 4.565 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@H]21)C(C)C 1359266066 RSOMBQINDWXBSA-QLBJFCOMSA-N 444.627 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1 1359277108 BZLREKOCPZULOS-SFHVURJKSA-N 446.473 4.677 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1Cl 1359277240 GHBXSCDQYCUPCQ-LJQANCHMSA-N 426.948 4.702 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1359312290 RBIDOYLVOLFVDP-QPPBQGQZSA-N 437.632 4.858 30 10 IJEE Cc1cc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H](C)C#N)c(C)c1 1361011032 HACFDFHLUAMZEU-CQSZACIVSA-N 441.377 4.605 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(Br)cn3ccnc23)c1 1361104855 XVOIXIVIPCENDY-UHFFFAOYSA-N 436.334 4.987 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)c1 1436480162 BTZACOKJZYMTHO-LSDHHAIUSA-N 445.610 4.588 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1CCN(Cc2ccccc2)CC1 1442110921 ILVBIOQYNXAGCN-UHFFFAOYSA-N 432.486 4.912 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3cc(Cc4ccccc4)ccc3O)n2)c(Cl)c1 1446668331 BPTOVJANTAWKHO-UHFFFAOYSA-N 428.879 4.946 30 10 IJEE C#C[C@H](C)N(C)C(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1448668375 IFYCUBHKAWUQLG-VQTJNVASSA-N 430.548 4.518 30 10 IJEE C#C[C@H](NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)c1ccc(Cl)cc1 1450848491 MOKQKULWONYVDB-KRWDZBQOSA-N 430.817 4.997 30 10 IJEE N#CCc1cccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 1462723249 HFYOVCANGUOEER-QFIPXVFZSA-N 449.963 4.998 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 1464354020 JIOHWORSEVFIFW-LJQANCHMSA-N 432.549 4.861 30 10 IJEE CC[C@H]1CCc2nc(O)c(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2C1 1464780160 WNNPIGLQSCNHAV-AVRWGWEMSA-N 441.531 4.876 30 10 IJEE C#CCN(C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1)C1CSC1 1465077060 XGNIAFAWRPNLJL-UHFFFAOYSA-N 431.355 4.611 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)C1 1476075699 GCVIYIKRGODFOX-QZTJIDSGSA-N 441.963 4.620 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 1476150587 JMKJBLBSUIIGCV-FQEVSTJZSA-N 441.572 4.590 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 1476636748 DFIPDAHGONUSEG-UHFFFAOYSA-N 438.837 4.854 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1477934816 ZSKOHNNXCTYVLH-RDPSFJRHSA-N 428.577 4.522 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1 1478478790 WIBYIQYPZYGXMJ-UTKZUKDTSA-N 426.358 4.573 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 1478896775 QGKDNNXPXYSYDI-RPWUZVMVSA-N 434.923 4.626 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1492985351 GSUNKVOMWRBJDG-OAHLLOKOSA-N 436.585 4.557 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1507595819 VOYMZEHFMRUEAB-UHFFFAOYSA-N 442.350 4.535 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCCS1 1507681346 WMTGJKJBZDCOLN-OAHLLOKOSA-N 437.382 4.592 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCCC1(C)C 1507682196 LHLVKBWKMDRPKF-AREMUKBSSA-N 448.567 4.518 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)COC 1507764608 RTXASECWVMEREA-BXKMTCNYSA-N 426.630 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1507793343 DATWWUKDFZDEME-UZLBHIALSA-N 449.382 4.834 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1507825106 PVXPMEHQFAITPA-AKIFATBCSA-N 437.632 4.917 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1 1507841402 ZAXZBFSQPBSHOJ-NRFANRHFSA-N 440.519 4.758 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1507847087 BZRZREMCEBMTHS-LJQANCHMSA-N 432.996 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2)CC1 1507910718 BMLVTKNUKZPHDH-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H](C)C1)c1ccccc1 1507918975 ANPATCOVHCGBAO-JAXLGGSGSA-N 444.583 4.768 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1CCc1csc(-c2ccccc2)n1 1508013978 NVKZDBVXSATDLS-UHFFFAOYSA-N 428.565 4.885 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCOC[C@H](C3CCC3)C2)nnc1C(C)(C)C)C(C)C 1508014509 VEWMTDKQJXOGNC-DHIUTWEWSA-N 443.680 4.527 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc2ccccc2o1 1508050284 VDAWSBVZMDPWAO-UHFFFAOYSA-N 426.318 4.615 30 10 IJEE C#CCN(C(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12)c1nccs1 1514719361 KRKJOWFWLZBSNI-UHFFFAOYSA-N 436.587 4.882 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1 1515666497 GYHZLGMVDPWJGF-LJQANCHMSA-N 429.515 4.791 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1 1520240826 XYGQMSDARQMVJW-JOCHJYFZSA-N 442.346 4.992 30 10 IJEE N#Cc1sc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)nc1Cl 1525765540 GWPREADYYASUJD-UHFFFAOYSA-N 427.898 4.602 30 10 IJEE C#CCN(C(=O)c1nccc2ccsc12)[C@H]1CCOc2ccc(Br)cc21 1531553685 NYBOEEYMMQUXSR-INIZCTEOSA-N 427.323 4.658 30 10 IJEE C#CC[C@]1(C(=O)OCc2cncc(-c3ccsc3)c2)CCCN1C(=O)OC(C)(C)C 1534109974 WYQZBZIYVRMVLP-HSZRJFAPSA-N 426.538 4.646 30 10 IJEE Cc1ccc(C)c(N(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C2CCOCC2)c1 1534191267 BSAIROCJZWUNSD-UHFFFAOYSA-N 433.552 4.543 30 10 IJEE C#CCOc1ccc(C(=O)N[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 1535588938 JMFYAQSQKXIIDA-XMMPIXPASA-N 429.516 4.738 30 10 IJEE CCc1cc(C(=O)NCc2cccc(O[C@H](C#N)CC)c2)c2c(CC(C)(C)C)noc2n1 1538349701 BNOWWCLFNPNYRJ-SFHVURJKSA-N 434.540 4.985 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CC(=O)N(CCCC)[C@H]3c3ccc(OC)cc3)cc2n1 1538563303 XCAGTITWNQXYBE-RDGATRHJSA-N 446.551 4.559 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1539056262 WBDMATOIJZLAIZ-OAQYLSRUSA-N 435.959 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1C 1539620134 JMNYXDPDMDNWOM-VCBZYWHSSA-N 449.368 4.817 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)c1c(C)noc1C 1539658775 AMRUDPCGBFXQCI-INIZCTEOSA-N 439.560 4.773 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1539750524 QWCVXYHBYUIODM-UHFFFAOYSA-N 446.382 4.800 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC[C@H]2OC)CC1 1539882759 WLQMUJXTLLQWQJ-YLJYHZDGSA-N 430.980 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(F)ccc(F)c2C1 1539900157 IFPFHINSJWKEKQ-UHFFFAOYSA-N 445.558 4.640 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1539938901 CQSRIPQQEHLRGH-CTNGQTDRSA-N 435.597 4.595 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1539952594 HFISDBXNIINFRL-SFTDATJTSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539954016 YEUOPCQFWLYUTK-IBGZPJMESA-N 431.968 4.670 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1CCN1CCCC(C)(C)C1 1540120237 QDXFKNOTWKHNDP-UHFFFAOYSA-N 425.621 4.725 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1 1540134536 TZXNLZYLMPHBIT-WOJBJXKFSA-N 435.547 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc2c(s1)CCCC2 1540158186 BPMYCYJPKVEBAG-UHFFFAOYSA-N 430.581 4.573 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(C)(F)F)cc2)C1 1540886426 CQKLHJDBXTVDNC-IBGZPJMESA-N 428.483 4.788 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2C(F)(F)F)C1 1540891957 CIBUITBCJGVMNJ-SFHVURJKSA-N 436.522 4.910 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)C1 1540893083 WNCVTQKJPDOMIF-WOJBJXKFSA-N 433.021 4.589 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540911641 XOUZGECQMNIQEN-HXUWFJFHSA-N 443.020 4.864 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)CCCCCO[C@@H]3CCC[C@H](C)C3)c2C#N)C1 1540918652 RZBFJWNHOZEMMM-FUHWJXTLSA-N 431.602 4.619 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@@H](CC)C1 1540920576 ZIFUDPBEEYLHMS-SFHVURJKSA-N 439.050 4.762 30 10 IJEE CC(C)N(C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)CC#N 1541603938 BSHIFVDMOJZGAG-HNNXBMFYSA-N 431.009 4.892 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2noc3ccc(Br)cc23)C(F)(F)F)cc1 1544661323 GMFYEKNRTJCMEM-GOSISDBHSA-N 438.199 4.961 30 10 IJEE CCCOc1ccc(C(=O)CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 1545834341 HQTSETSPNVQBKD-UHFFFAOYSA-N 428.488 4.539 30 10 IJEE C=CCn1c(SCC[C@H]2CCNC2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1559315670 DKMDUBPLGKAPGU-NVXWUHKLSA-N 444.670 4.962 30 10 IJEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1ccc(-c2ccccc2)cc1 1561471083 MCTXZTLDJRWSMG-RUZDIDTESA-N 449.572 4.705 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1c(Cl)cccc1Br 1561959991 OGGXWMFPUUJKAU-GOSISDBHSA-N 438.774 4.804 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2Cl)cc1 1564799113 XNZOXFLGMNQQID-XMMPIXPASA-N 434.923 4.949 30 10 IJEE C=C1CCC(CNC(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)CC1 1565321741 OMSCRJYKGDHZJF-SFHVURJKSA-N 438.353 4.612 30 10 IJEE C=CC1(CC(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)CN(C(=O)OC(C)(C)C)C1 1565637972 FEKMMLWROQYBFG-UHFFFAOYSA-N 442.537 4.719 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN(CC)CC(C)C)CC1 1566806687 RNLXSDUWWJVXNA-HXUWFJFHSA-N 444.060 4.629 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccc(OC)cc3)[C@H](C)C3CC3)n[nH]2)c1C 1569994077 KAOVMRFGMBFLGD-QGZVFWFLSA-N 433.556 4.526 30 10 IJEE C=CCCC[C@H](C(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccccc1 1570080603 OQHPYPWXYMYWGK-QHCPKHFHSA-N 445.563 4.812 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)c1cccs1 1587937887 WVKSVDHKNRQXOR-UHFFFAOYSA-N 435.416 4.878 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(Cc1ccnn1C)C1CC1 1593818665 WGVUUGMMFXJYOV-OAHLLOKOSA-N 447.370 4.727 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCCC[C@H]2C)CC1 1594064723 SGGWCWAIWLIOCS-LJQANCHMSA-N 429.012 4.805 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1594115450 QULUEBBHZWDSLN-IBGZPJMESA-N 445.633 4.636 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1594582744 SQOPDTORPLJXHB-UHFFFAOYSA-N 449.603 4.751 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](SC)C1 1594625933 IPRBFXBMVDZSJL-RXVVDRJESA-N 428.602 4.869 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCO[C@H](c2ccccc2Cl)C1)C(C)C 1595166827 YUHQHYAANURHDC-GOTSBHOMSA-N 444.023 4.516 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NC1CCCCC1 1595191636 URZSORBZTCMIOH-UHFFFAOYSA-N 448.398 4.879 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1Cc1csc([C@@H](C)OC)n1 1595195918 DQKGKRWGHKSJLC-QGZVFWFLSA-N 446.580 4.884 30 10 IJEE CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1611764967 BTJZINAJHCCZMN-PKTZIBPZSA-N 427.980 4.670 30 10 IJEE C=C[C@H](CC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1626104041 JJHQASWXOUYFPE-DENIHFKCSA-N 436.508 4.883 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)CN(C(=O)OC(C)(C)C)C1 1628312641 PMELITBAXYCEHB-KRWDZBQOSA-N 426.561 4.608 30 10 IJEE CC(C)Cc1ccc([C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 1630700008 GDMJRZISDYIGBA-AREMUKBSSA-N 430.596 4.735 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3F)CC2)cc1 1631948376 HTIJTCZRVFWZRV-VWLOTQADSA-N 428.511 4.513 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccccc2n1Cc1ccccc1C 1633014101 DVDUSIAZAJRHFM-OAQYLSRUSA-N 446.551 4.638 30 10 IJEE C#CCOc1ccccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 1633213406 RWMIQZWULQMIEL-UHFFFAOYSA-N 437.499 4.741 30 10 IJEE C=CCCCCNC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1634474612 MUBVFDOORBXOBE-FQEVSTJZSA-N 443.588 4.935 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NCc2cncs2)c1)c1ccc(Br)cc1 1637663392 RXLUJXGYROQEPT-LJQANCHMSA-N 426.339 4.622 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)nnc1-c1cccs1 1643761180 JTWHGVKFOVLFFS-MRXNPFEDSA-N 434.949 4.883 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)c1ccccc1 1648461992 VIDIPBSOULHCST-PMERELPUSA-N 426.538 4.838 30 10 IJEE C#CCN(C)C(=O)c1cc(/C=C/c2cccc(OC)c2)nc2ccc(Br)cc12 1650996403 YEULMMOJALIMLB-CSKARUKUSA-N 435.321 4.882 30 10 IJEE Cc1oc(NC(=O)[C@H](C)N(C)CCOc2ccc(OCc3ccccc3)cc2)c(C#N)c1C 1652483801 CWWLUASWGBUFDO-IBGZPJMESA-N 447.535 4.685 30 10 IJEE CCCN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1655109197 GRIAQYCNNJJMTL-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1658063611 IFLBXMOHUOCUCA-XMSQKQJNSA-N 427.570 4.768 30 10 IJEE C#CCCOC(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1 1659259079 ZDOYTBCSOUUUBT-UHFFFAOYSA-N 428.794 4.552 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1659604180 JOUYVDSHJKIDMG-INIZCTEOSA-N 432.320 4.864 30 10 IJEE O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@@H](CO)c1ccccc1C(F)(F)F 1668598801 AQXGYPSNBADEOP-AWEZNQCLSA-N 440.315 4.641 30 10 IJEE Cc1cc(C(F)(F)F)nn1CCNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1670754237 GKWMQLLTKCOIET-ZDUSSCGKSA-N 446.754 4.606 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc2c(c1)CCCN2C 1672210572 XZHXCXKVWXICPE-UHFFFAOYSA-N 430.346 4.718 30 10 IJEE C=CC(C)(C)CNC(=O)N[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1672787252 HGSYDRGQZXCSKN-LJQANCHMSA-N 443.588 4.791 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1)c1ccc(Cl)cc1F 1674036397 OWIFGDURJIVLMU-HSZRJFAPSA-N 436.918 4.972 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1 1677494164 YNXLRUJEPIQLRX-IERDGZPVSA-N 440.401 4.796 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 1681942358 LGOVPSOHHFXKQX-CTNGQTDRSA-N 434.458 4.856 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccnc(C(F)(F)F)c1 1682486263 OEPXEEXYPMYRIP-UHFFFAOYSA-N 446.242 4.900 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C 1683775238 BWWBOYNHZKDDHY-UHFFFAOYSA-N 439.531 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1OC 1689835677 QRCJZLAWGNFRCG-AEFFLSMTSA-N 434.609 4.955 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1689880013 OSWRANBLXZBKLD-KRWDZBQOSA-N 445.489 4.568 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(C(C)(C)C)no1 1690005963 FUUBXCQKJZJAJB-UHFFFAOYSA-N 447.608 4.682 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1690091575 YBRZXWATHSHKKI-RLWLMLJZSA-N 439.623 4.766 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2cccc(F)c2[C@H]1C 1690178984 JVUAESFBJUUWQO-MRXNPFEDSA-N 426.586 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1cc(Cl)c(OCC)c(OC)c1 1690205996 DPPYVIOIIRQQKI-HSZRJFAPSA-N 430.980 4.578 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690220774 AAOCQFYIIDELSW-GUYCJALGSA-N 437.769 4.511 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C)[C@@H]1C 1690223158 HAHXAJTYJPRVRC-NWDGAFQWSA-N 445.789 4.976 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCCn2ccnc2C)CC1 1690364466 QWUDQCOCBDWFAY-IBGZPJMESA-N 438.551 4.699 30 10 IJEE C=C1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1690367439 OUJZEYWPUSIBBM-QGZVFWFLSA-N 437.544 4.761 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@@H](C)C2)CC1 1690374401 USRGJAZDKUKKNF-QHAWAJNXSA-N 443.636 4.985 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1690482881 CIPXPXOAGLNZBL-UXHICEINSA-N 448.514 4.665 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C(C)C)C1 1690502861 IJNNLLVHDFYGQC-IBGZPJMESA-N 439.000 4.908 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1Cc1nccn1C(F)F 1690556449 XKIDGPGOOCWCCN-UHFFFAOYSA-N 442.514 4.777 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1690737009 WKHIAVFCRFPXEX-JOCHJYFZSA-N 426.630 4.680 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCc1ccc(Br)s1 1691008237 GEGKTYFUDCTIEN-CQSZACIVSA-N 436.423 4.673 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)CCS1 1692866851 ASSJFOJHBUMBIC-UHFFFAOYSA-N 432.597 4.521 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1705512155 SXLJBTQDPLTEAK-JOCHJYFZSA-N 431.005 4.744 30 10 IJEE C=C(Br)Cn1c(N2CC[C@H]3CCN(Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C 1705692758 RTKKSVWBVCSCTP-RTBURBONSA-N 444.421 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](COC)C1 1705787735 BZMKFZFIBNFCIE-INIZCTEOSA-N 433.394 4.783 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1705796550 GZYXFFYNIPCSBX-ZJSXRUAMSA-N 431.584 4.953 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705801278 ZRVVUMTUERSIDR-FNZWTVRRSA-N 438.616 4.983 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705807648 KBBNOMPPCAXYPO-LADGPHEKSA-N 436.648 4.711 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1nc(C)no1)C1CC1 1705850296 OLVCIGYTSVZVRH-UHFFFAOYSA-N 433.343 4.731 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CC1(SC)CCC1 1705857605 XZJKTQGFUXAPTM-HXUWFJFHSA-N 442.629 4.659 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1705875419 RJTMVXSKIVOBNG-AOYPEHQESA-N 443.595 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2oc(CC)nc2C)C1 1705920160 RMCTUNMKYYTTIA-OAQYLSRUSA-N 449.599 4.931 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1705942175 JQDHMDAIMXVRDK-SFHVURJKSA-N 428.558 4.847 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cccc(C(F)(F)F)n1 1706743498 BYNNLULOTLUQGA-ZDUSSCGKSA-N 434.853 4.799 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(Cl)s2)c1 1707141194 GLVZFTQGCWPEKC-MRXNPFEDSA-N 429.977 4.833 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC[C@H]1CC 1722283572 GFUHYVIJXFTSBM-FUHWJXTLSA-N 434.415 4.974 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722308348 LHKTZGRJUKUJNP-RJGXRXQPSA-N 436.600 4.701 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722328920 YHIQVILTCORSKW-GFCCVEGCSA-N 447.324 4.961 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)CC1CCC1 1722496946 PGLKTYHYXMNFRA-OFNKIYASSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nccn1C(F)F 1722511731 JYXNGVJBGLWLNI-UHFFFAOYSA-N 436.894 4.649 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1722625520 SRQQHSZJBPTSEI-HOTGVXAUSA-N 449.368 4.674 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCOCC2(CCC2)C1)C(C)C 1722668087 YXIXKQBKZILEHH-QFIPXVFZSA-N 443.680 4.572 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccco1 1722730802 DCEHBQBLLFTDHD-UHFFFAOYSA-N 435.915 4.836 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722737629 NDOVFNPQIDEMMA-XMMPIXPASA-N 439.629 4.987 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H](C)CC#N)c1cccnc1 1723123469 DHRLROXHPBBWDD-GCJKJVERSA-N 436.535 4.569 30 10 IJEE CC[C@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1727682007 AFRNTGIQJJKBGM-CJNGLKHVSA-N 446.502 4.965 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CCOCC1 1731059986 AGUNPTCFXWEWHL-WIYYLYMNSA-N 439.629 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCN1CC 1740558623 UIWVRLHBVRIDBM-YADHBBJMSA-N 437.632 4.621 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740568861 SMLFFLUCFKOLDY-QUCCMNQESA-N 426.630 4.940 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H](C)c1ccco1 1740581824 GYUQSXSRCVWUQI-OAHLLOKOSA-N 443.345 4.920 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC12CCC(CC1)C2 1740662292 IPJLNHNDFGLUNA-UHFFFAOYSA-N 431.353 4.887 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740799203 HWJIEHXCSIPMDL-CIAFKFPVSA-N 430.637 4.806 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(=O)NC(C)(C)C 1740859223 IENBSXDQFXAFRM-UHFFFAOYSA-N 443.661 4.983 30 10 IJEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1740876232 PICIEOUJVKCCQV-CABCVRRESA-N 441.523 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCS1 1740914226 BXJHQSGHYVYOGR-JOCHJYFZSA-N 444.608 4.999 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CC12CCOCC2 1740925817 NWQHGOXJVLJSSH-OALUTQOASA-N 426.536 4.552 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2csc(CC)n2)C1 1740976497 XBXNFAQHNJCHGD-OAQYLSRUSA-N 437.613 4.550 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC1CCCCC1 1741002676 KIHJOGZQICSFTD-NRFANRHFSA-N 428.602 4.726 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC(F)(F)F 1741960859 GIUIPPWIRCXEPB-RYUDHWBXSA-N 440.363 4.898 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)[C@@H]1C 1743175479 CJGKPYZPYUSJHW-HZPDHXFCSA-N 441.988 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(C)OCCc2sccc21 1748643377 VHIXDWCUGYIBRE-DMJCMNNJSA-N 434.609 4.828 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749026714 OOYCZQRQBVPJKE-MOPGFXCFSA-N 442.629 4.591 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(F)(F)F 1749124331 MIVVGTLKMNGDIW-MLGOLLRUSA-N 432.849 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1nc(C)cc1C 1749147817 QZFBQQBRIFEMCM-UHFFFAOYSA-N 444.587 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1749370948 UJFBLJZYXVHQFJ-UHFFFAOYSA-N 447.631 4.596 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1749439622 FCYJTZBGZOXFFT-OAQYLSRUSA-N 425.646 4.910 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1760148184 RHMMJGCDBLLSMO-AWEZNQCLSA-N 430.325 4.786 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C(C)C)C(C)C 1760228919 WWCMHDKBLDLQNM-LJQANCHMSA-N 427.662 4.710 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1760288401 BEESHSXQTRMVRR-WZOHSFFVSA-N 443.636 4.963 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760369993 DQWDKKOAAMKRDC-OALUTQOASA-N 446.979 4.643 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1760392284 KXEZHDVEGZBYHL-OYRHEFFESA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760413044 WRFQXFNUEBVYSF-HXUWFJFHSA-N 439.604 4.526 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760482309 GAHJLOSVDKRGGS-RUMRUAAYSA-N 431.584 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@](C)(O)CCC)C1 1760537901 SVQLWAMMUAIBCD-IIBYNOLFSA-N 439.387 4.584 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1764921533 ICBCXTRXTCPMJO-GCJKJVERSA-N 436.629 4.994 30 10 IJEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCC(F)(F)C1 1764949383 DNNXDWYJVZKKOQ-AZUAARDMSA-N 429.515 4.506 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl 1765024512 ASTYZKXGKKGPNH-OXJNMPFZSA-N 436.947 4.569 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1772543334 DLJUBEGVSUGHIC-FQEVSTJZSA-N 442.560 4.819 30 10 IJEE O=C1Nc2ccccc2/C1=C1/SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 1772737007 OFIWUKLDLQEWAL-KHYBBADZSA-N 447.516 4.644 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862436916 FHIRNWWKJMNZHH-IBGZPJMESA-N 444.871 4.722 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 1862470551 QRSQDDJRAHZSGD-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 1862580909 VBGNNGWIBRRZHI-LJQANCHMSA-N 442.302 4.538 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862582396 CXAKEYPQQMZIEB-IBGZPJMESA-N 431.319 4.800 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Br)cc1 1862600229 PZZDASNSYUFPDF-KZULUSFZSA-N 430.298 4.532 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CC2)cc1 1862645367 GUAAJWSLXDYODR-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Br)cc2)cc1 1862693411 KOXKCRJVFYHLMN-LJQANCHMSA-N 444.325 4.692 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862743390 AYZRUZSCCWUEDY-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc4c3CCCC4)C2=O)cc1 1862933792 AVJLRGAMMHSUIM-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1cccc(F)c1 1864840805 FYZBWMXBVXTDRJ-HXUWFJFHSA-N 442.579 4.776 30 10 IJEE C[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1866763765 NGCJRKBUZDHSGA-MRXNPFEDSA-N 433.458 4.502 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1cccc(Cl)c1 1871173726 OPVHTFCOBIKOGY-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(/C=C/C(=O)O)cc3)ccc2C1=O 1871381755 ARRWOXLGXLGSKX-HMSZGEISSA-N 426.424 4.928 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccccc2)nc(Nc2ccc(OCCC)cc2)[nH]1 1871724064 DYVKPZNLABFHTE-UHFFFAOYSA-N 444.583 4.659 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872084832 AWUYDSGIGRNDGB-GAJHUEQPSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CCC 1872197011 HUTXXPSGZCVKOF-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1872217458 ORGUWEICTPINJZ-HOYKHHGWSA-N 440.609 4.995 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872217461 ORGUWEICTPINJZ-UUOWRZLLSA-N 440.609 4.995 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(CCOC)C1=O 1873062509 LBBAACZQPMDMLB-UHFFFAOYSA-N 440.506 4.561 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1873792358 DPBPPSXREPPRDK-BRJLIKDPSA-N 439.302 4.677 30 10 IJEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc2c(c1)OCO2 1873886391 UFDHPGRSROTBSC-BJKOFHAPSA-N 436.552 4.803 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)c1 1874260794 RPLKGXYCRNJFMV-LGJNPRDNSA-N 437.475 4.705 30 10 IJEE COC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874283448 IMQPDDYZKCEAHB-FSJBWODESA-N 449.363 4.517 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cccc(OCC)c1 1874293528 HOKLKTHYDRCTPJ-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE Cc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874336223 DJIOLVKHGZWCAY-SYOQMXFQSA-N 447.608 4.528 30 10 IJEE Oc1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCCc1ccccc1 1874384530 UMCZBTSTBKESMZ-KOEQRZSOSA-N 430.533 4.780 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@H]1CCCO1 1874450351 ZSJLJXVJQHKLFZ-BYWZACNXSA-N 442.928 4.656 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cc(C)ccc1O 1874494804 FMUPBZWYDFEPTK-AFUMVMLFSA-N 449.580 4.735 30 10 IJEE CCCc1nnc(SCCCO)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874510827 XLSMKYLJTVJYIS-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2)nnc1C(C)C 1874512174 ZRSSEEQFTPKZMB-MFKUBSTISA-N 449.580 4.888 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C2CC2)cc1 1874522929 AJADLDAQNCJADM-SCELWYEFSA-N 433.581 4.570 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2C2CCCC2)ccc1OCc1ccccc1F 1874559705 ITPBPHIQVXEWKH-ZMOGYAJESA-N 426.517 4.833 30 10 IJEE C[C@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCO2)c1ccccc1 1874582919 NMIXTRWLIYLHMP-YLZCUGDYSA-N 429.472 4.568 30 10 IJEE CCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC 1875195125 OXISHWMEPKMKBW-FMIVXFBMSA-N 428.481 4.713 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)N(Cc1ccccc1)Cc1ccccc1)n2CC 1875202189 JUIQGHMVWQBPKR-UHFFFAOYSA-N 425.536 4.892 30 10 IJEE C[C@@H]1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OC(C)(C)C 1912174993 HFKARIAYVQNASY-WHSLLNHNSA-N 436.557 4.852 30 10 IJEE N#Cc1ccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)s1 1951631285 JPYZRSXWRXXMDX-NHCUHLMSSA-N 444.512 4.669 30 10 IJEE C#C[C@@H]1CC[C@H](NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1965443282 OJGDHTRVLTZXKK-GTPNXJITSA-N 444.575 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]12CCC[C@]1(F)CN(C(=O)OC(C)(C)C)C2 2004736371 UUTRLGAPRBYSBQ-GPUOULLFSA-N 432.580 4.867 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2014555258 DKHZRRYYOQPKNR-YCRPNKLZSA-N 436.557 4.852 30 10 IJEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1(Cl)CC1 2025840733 PURBPDYSJBSWQM-AREMUKBSSA-N 439.047 4.652 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(F)c3)=C(O)C(=O)N2Cc2cccs2)cc1 2033813746 GAVFTROASAJDAV-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCC3)cc1 2068971631 RWTFDTSOVPQDBP-XMMPIXPASA-N 443.544 4.872 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCc2c(C)sc(C)c2Br)C1 2126627579 NYRLBJXJUYIGSV-UHFFFAOYSA-N 443.407 4.605 30 10 IJEE C#CC[C@H](CN(C)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CC1 2196767362 XGBQMMBSQFQOQY-OAHLLOKOSA-N 435.362 4.918 30 10 IJEE CC(C)(C)OC(=O)N1CCCC12CCC(N)(C#Cc1ccccc1Br)CC2 2235722834 KKCPLKGXJNWGPI-UHFFFAOYSA-N 433.390 4.842 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C12CC(CN1C(=O)OC(C)(C)C)C2 2235749667 MJYLAYWYPGAONZ-UEUGHCDMSA-N 433.390 4.568 30 10 IJEE CC1(C)OB(C2CC(C(=O)N[C@H]3CCN(Cc4ccccc4)C4(CCC4)C3)C2)OC1(C)C 2267576982 PACHDKPWBDBOJN-HRTMPFAESA-N 438.421 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@@H](N)C#CC1CCCCC1 2289694029 RYLALOIIJDPNIP-PMACEKPBSA-N 435.406 4.796 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296218858 IYRSHJVNISDZFY-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCCC[C@H]1NC(=O)OC(C)(C)C 2296300277 GCQXXWIXVDUGTO-WOIUINJBSA-N 435.406 4.862 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(N)C#Cc1ccc(Br)cc1 2296310134 FQMQJEDHSNBULL-AVRDEDQJSA-N 435.406 4.801 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2296310814 ODOSSVSIVJFFGH-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c(OC)c1 2314430154 XLQOPIFCDUZABC-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C=CCC(CC=C)[S@](=N)(=O)c1cc(I)ccc1Br 2316754816 MNCZZCKTISTPDP-SFHVURJKSA-N 440.144 4.980 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@](C#N)(NC1CC1)[C@H]1CC1(C)C)Cc1ccccc1 2318399753 TWWZRXSBRDTFET-XCZPVHLTSA-N 430.640 4.681 30 10 IJEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(CCCN(C)C)C4)C2=O)c2ccccc21 2322334460 OWDKLAVDIGHLFP-UHFFFAOYSA-N 445.563 4.689 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1F)NCc1ccco1 2322502011 PKJOMLIPZNUUDC-UHFFFAOYSA-N 431.822 4.803 30 10 IJEE COc1cccc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCC(=O)OCC(C)C 2322856781 PQYQCMXBSWTLDR-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE CCCCCCOc1ccccc1C(=O)C=Nn1c(S)nnc1Cc1ccc(F)cc1 2323541065 WMYDWTLIZVTOHX-UHFFFAOYSA-N 440.544 4.973 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c(OC)c1 2324463785 IJBBFIJRYISIHU-LJQANCHMSA-N 445.515 4.856 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OC)c2)cc1OC 2325703616 IKYPIWLTMYPNND-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1O 2326002821 KRDGJPKXOWSOIX-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1cccs1 2327734401 HTPQQQZYRPMQNK-UHFFFAOYSA-N 449.605 4.584 30 10 IJEE Cc1cccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2-c2ccco2)c1 2331219063 JBJILFHZIUQKCP-UHFFFAOYSA-N 442.504 4.670 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)C)c1 2331673982 PGVUBCWYALNNCT-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C)CCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339536499 LGSHZJMBUBBBEM-XMMPIXPASA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC12CC(Nc1ccc(C=CB3OC(C)(C)C(C)(C)O3)cn1)C2 2339543594 SYTDIAVAKBQTNM-JZGPVCMCSA-N 441.381 4.584 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]2(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339583442 WSXROTUSSKMWQR-RGZASWLESA-N 442.365 4.505 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2360943349 GCKROBYIRNVJOC-CMKODMSKSA-N 435.406 4.720 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4cccc(Cl)c4)sc3C)cc21 19952006 CBGOCKZPDKBYGN-UHFFFAOYSA-N 439.924 4.936 30 10 IJEE CCOc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 20905280 VAZINZSRSAXJSO-ZVHZXABRSA-N 446.536 4.533 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nccn1-c1ccc(Cl)cc1 24320561 BAQMUDHGAZJVRO-MRXNPFEDSA-N 440.956 4.962 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cc(C)cc(C)c2)Nc2ccc(OC)cc2)c1C 32973309 JLRURXNBUOMGTP-UHFFFAOYSA-N 447.583 4.586 30 10 IJEE CCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)cc1 38622891 LCRAWOJODITBMX-SFHVURJKSA-N 430.504 4.753 30 10 IJEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n([C@H](C)c4ccccc4)c3O)oc2c1 38623422 XIVKTRWNRIOYHK-QGZVFWFLSA-N 426.472 4.937 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@H]2c1cccc(O)c1 65165015 YRANLEPSHPAEQV-NRFANRHFSA-N 432.549 4.934 30 10 IJEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1/N=C/c1ccccc1Cl 149287179 SJSJOAGBNGFFIB-IVYNUYEBSA-N 430.851 4.912 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1OC 169942788 LOOXDXFNBGFZCG-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)cc2)cc1 169959771 VKNYPCAGZRWQJE-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccc(O)cc1 169960359 BRQGXDFSPXGDOB-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCOC)cc1 170034355 PIDQFMCEKRSVEW-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 170130334 IXIPTTLMCCVUSM-IBGZPJMESA-N 425.893 4.886 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)c1 170133360 IBNKBEJHGWQHJC-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)cc1OC 170133401 GOPNAYYKQQZTQP-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC)c(OC)c1 170216413 MAKYGNTZGFISSA-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(F)cc2)c1 170239023 VSFUEVZUQRWHPF-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170261012 RGDLOAPZQYXULO-XMMPIXPASA-N 436.467 4.719 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccccc1C 170270457 IILBPWJJGTZGON-JOCHJYFZSA-N 437.536 4.624 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1ccco1 170274216 ZHCNPOWAUXSUJL-WAIKUNEKSA-N 429.472 4.690 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170315758 HIYUXLAQPFWDPI-ICSRJNTNSA-N 441.549 4.601 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(OCCC)c1 170323348 DQVZSARQKISNPQ-NRFANRHFSA-N 438.480 4.762 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 170422542 NGQXSVZYDIBJGH-LJQANCHMSA-N 440.286 4.562 30 10 IJEE C=CCn1c(SCCC(=O)NCc2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2 253563302 FGVQDYPDRCRHGI-UHFFFAOYSA-N 436.625 4.731 30 10 IJEE CSc1cccc(NC(=S)NN=C2C(=O)N(Cc3ccc(C)cc3)c3ccccc32)c1 254583635 QIWVGHTZZSHLBC-UHFFFAOYSA-N 446.601 4.954 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CC23CCCC3)nnc1-c1ccc(Cl)cc1Cl 430222885 GRCQUILSGQNBKJ-INIZCTEOSA-N 437.396 4.979 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2cccnc2Oc2ccc(Cl)cc2Cl)CC1 443339216 XQNJKKLTWABJHA-UHFFFAOYSA-N 447.322 4.565 30 10 IJEE Cc1c(Br)ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1F 447449657 OPSDBMDLDPWPPA-CQSZACIVSA-N 426.083 4.654 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 475579815 AULKEYVMRGMXPW-UHFFFAOYSA-N 448.611 4.944 30 10 IJEE O=C(N[C@H]1CCCC(F)(F)C1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 488978604 MZFWOTHRSJJBEO-NSHDSACASA-N 435.311 4.877 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 494517525 ZPUYWHIWDMZIHH-KSFYIVLOSA-N 428.916 4.669 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br 504126836 CUXVESSRFSRESX-AZUAARDMSA-N 431.378 4.870 30 10 IJEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 508919840 HSWYULCOKAZAOP-KRWDZBQOSA-N 449.584 4.507 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 518365171 JQCJSIHOHNNZJZ-QHCPKHFHSA-N 434.565 4.689 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC(C)=O)cc2)c1 526515558 JRHDZCWUNAVYAE-XMMPIXPASA-N 440.455 4.549 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc(OC)c1OC 555575574 BFRRHGAVCYNHNG-UHFFFAOYSA-N 444.438 4.742 30 10 IJEE Cn1cc([C@H](NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C(F)(F)F)cn1 582465895 KVHVGUVRXRNDAK-NEPJUHHUSA-N 448.289 4.645 30 10 IJEE CCCOc1ccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 585825835 LRQNDWIMESVRFR-BPGJKTRZSA-N 441.959 4.653 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N3CCCCCC3)C2)c1 585964576 HOUPORVOICRRIR-QFIPXVFZSA-N 426.605 4.714 30 10 IJEE CCCCC1CCC(C(=O)NC2CCC(OS(=O)(=O)c3cccs3)CC2)CC1 586506769 BNUQMMBDZSYLQM-UHFFFAOYSA-N 427.632 4.877 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 669816257 KICUTQCFNWMMLP-HYBUGGRVSA-N 448.567 4.752 30 10 IJEE C=C(COC(C)C)[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710541829 VOCIPTNFGBGFBD-QHCPKHFHSA-N 445.648 4.505 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1 728185776 MBOZPWRWUSEUSB-UHFFFAOYSA-N 445.949 4.565 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cn1sc2nc(C)cc(C)c2c1=O 743357540 BWDLZWVXHJMNPS-UHFFFAOYSA-N 436.350 4.622 30 10 IJEE COc1ccc2c(c1)CN(C(=O)NCc1ccc(OC)c(C#N)c1)[C@@H](c1ccccc1)C2 747431595 RUVQLVAOZXNOPI-XMMPIXPASA-N 427.504 4.585 30 10 IJEE COc1ccc(-c2ccncc2)cc1[C@H]1NC(=S)NC(c2ccc(Cl)cc2)=C1C(C)=O 775238261 GTWVDTZOPRBRDE-HSZRJFAPSA-N 449.963 4.930 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1ccsc1Cl 790367407 MGPNWYYPRRKNHS-AWEZNQCLSA-N 427.776 4.683 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 1166815649 RCAGWCYJTFRZQG-GOTSBHOMSA-N 443.632 4.605 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)NC2(c3c(Cl)cccc3Cl)CC2)CC1 1234047067 AIUJBIUMDDUDDX-UHFFFAOYSA-N 429.351 4.822 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1cnc2sc(C)c(C)c2c1=O)c1ccc(C(F)(F)F)cc1 1266463548 VVJAPBIGBLZHJG-QGZVFWFLSA-N 449.498 4.917 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286316234 JJGFJBKATZYAAY-SFTDATJTSA-N 430.600 4.524 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286341901 JZKOLSLJWQCALG-HOYKHHGWSA-N 428.552 4.612 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](OCC)c1ccccc1 1286365809 JWXQJRWTJCQQTM-WIYYLYMNSA-N 434.609 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOCC 1286515148 DZWJBVYEDZSANF-AREMUKBSSA-N 431.584 4.771 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2ccc(OC(F)F)cc2)nnc1C(C)(C)C 1286546979 HCXXITGHXMOLQK-UHFFFAOYSA-N 429.309 4.722 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286620997 XSDPUIMVZNIUDK-OALUTQOASA-N 440.979 4.515 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](CCC)OC)CC1 1286639174 ZFQSNWNVTFBFSY-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2cc(C)no2)CC1 1286640160 HITCTQGQEPFDBH-UHFFFAOYSA-N 448.752 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2c[nH]c3ccccc23)n1CCCC(=O)N(C)C 1286749183 MMSZLTFKPSWWMW-UHFFFAOYSA-N 448.596 4.549 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1286778391 CGZVAETVSJGNBV-CZTZKLFOSA-N 440.563 4.621 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccsc2)C1 1286800595 NMAUKENYDKJOTN-PZJWPPBQSA-N 438.597 4.926 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1286835627 WPJXWQLFMSJLPE-OAQYLSRUSA-N 431.993 4.560 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(C)(C)C1CC1 1288943850 BHESKOCRVCKJTP-OXQOHEQNSA-N 443.979 4.627 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3ccc(-c4csc(C)n4)cc3)n[nH]2)c1C 1290699260 MWRINXBLDQWXNS-AWEZNQCLSA-N 446.580 4.999 30 10 IJEE C=CC[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCN1C(=O)OC(C)(C)C 1298840615 DYNFJFITSCINSY-HXUWFJFHSA-N 429.344 4.661 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1c(C)noc1C 1300272882 CIFOSEUZRQFCFW-RLFYNMQTSA-N 441.963 4.938 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSC[C@@H]1C 1300370942 IVFLSNSARXNGDM-IBGZPJMESA-N 447.048 4.997 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1coc(-c2cccs2)n1 1300431556 XLUXHJGLTAKXIL-SFHVURJKSA-N 447.564 4.869 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@](C)(O)[C@H](C)CC 1300648641 GQSZAPQXEOPBKK-KOSHJBKYSA-N 440.588 4.506 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1Cc1cscc1C(F)(F)F 1300655244 UAVNHSJOYLOVBT-UHFFFAOYSA-N 448.514 4.722 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(C)CCCCc1ccccc1 1300840080 STKLYPAQSAEMRB-UHFFFAOYSA-N 426.362 4.708 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1Cc2cccc(Br)c2C1 1300848581 GZHGLRANGBEBDX-UHFFFAOYSA-N 440.183 4.668 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1301087823 VUKRGQNIWOWQEC-DEOSSOPVSA-N 440.975 4.796 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cccnc2OCCC)CC1 1301091789 NLLXYZINRXBUSJ-UHFFFAOYSA-N 447.583 4.862 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN(C(C)C)C(C)C)CC1 1301096115 XRKUFIBJKFONED-UHFFFAOYSA-N 429.584 4.662 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)CCC(C)C)CC1 1301134379 JICWEXHSWVMNMQ-DEOSSOPVSA-N 430.568 4.586 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC2)CC1 1301139850 XPQBMWVSEHCREK-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1csc(CC)n1 1301154860 AWPLQPMOQPIENK-UHFFFAOYSA-N 430.647 4.891 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@H]1CCCC[C@H]1C)C1CC1 1301334923 SIPMJDOSRBTFGT-PSWRPDDJSA-N 430.637 4.947 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](SC)C(C)(C)C 1301420886 LLBHBEXZUKCDEP-OAQYLSRUSA-N 439.629 4.910 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@@H](OC)C(C)C)C1 1301541918 GKUZWUIARURIMI-MISYRCLQSA-N 444.645 4.584 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1301612952 SDOWHYACAUWKDY-QGZVFWFLSA-N 440.535 4.747 30 10 IJEE C#CCN(C(=O)[C@H](C)c1c(Cl)cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1303655475 FELMVMSAGJWFDV-OAHLLOKOSA-N 439.383 4.958 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cccn2)CC1 1316537425 BXXJBZGDXLPSIW-UHFFFAOYSA-N 444.370 4.669 30 10 IJEE N#CCOc1ccc(NC(=O)Nc2cc(Br)ccc2Br)cc1 1318800553 GBYVYVIGTCJNMB-UHFFFAOYSA-N 425.080 4.758 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)cc(C)c1Br 1351585200 CRRMGUUPVOIPMK-UHFFFAOYSA-N 433.298 4.809 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1OC 1354615036 GWILXMFZKVTMHL-UITAMQMPSA-N 428.286 4.551 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C(F)(F)c2ccc(C)cc2)c(C(=O)OCC)c1C 1357816654 IBTQBFIEQHXISP-UHFFFAOYSA-N 437.464 4.615 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccco1)C(C)C 1358905898 OYHQKDFLDXGWHC-UHFFFAOYSA-N 430.350 4.847 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCCNc1ccc(C(F)(F)F)cn1 1358940769 KWMFGTMBGVSMER-UHFFFAOYSA-N 448.880 4.584 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCNc1ccccn1 1358940928 RZFKFQQAMWHZST-UHFFFAOYSA-N 436.972 4.780 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C(C)(C)C)C1 1359053652 UBLDNSOCHDACSF-INIZCTEOSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1OCCC1(C)C 1359063970 HYDIAMSCGCLAFQ-WSCWJOSJSA-N 442.991 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)cc1C 1359074898 VTEQAAFDYDJRBO-AZSVPQILSA-N 449.643 4.612 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1CC(F)(F)C1 1359102534 CEJYKGJZWUBCHG-JTHBVZDNSA-N 444.570 4.916 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1Cc1ccnc(SC)c1 1359116693 VAUPKMLGFFMDTP-UHFFFAOYSA-N 427.549 4.564 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](CCC)C1 1359127855 CEYIFLLERIVJQL-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN(C)C(C)C)CC1 1359168061 GYUGAFVJBLDKTQ-UHFFFAOYSA-N 425.621 4.786 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1359194213 RAGMRTBERSWKEG-JOCHJYFZSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CCOCC2)C1 1359197895 CDGGSNJOPZNBAU-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)Cc1csc(Br)c1 1359201414 MVKGSPWKXNRFFD-UHFFFAOYSA-N 433.379 4.552 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359208091 FPVCYGASMBWPNA-ICSRJNTNSA-N 435.538 4.859 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCSC1(C)C)C1CC1 1359249253 UGXMDXWBFJLMAG-INIZCTEOSA-N 428.602 4.649 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCCc1nccs1 1359258518 STFFMTNJJUOFQS-UHFFFAOYSA-N 430.581 4.930 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H](c1ccco1)N(C)C 1359259711 FOPHNCLCRQBMDF-QFIPXVFZSA-N 446.530 4.568 30 10 IJEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1359288324 XCYKTFTUCIOEAN-OAQYLSRUSA-N 437.632 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](C)COC)C1 1359314376 ZPNUZYJAFCKGMI-HZPDHXFCSA-N 447.004 4.877 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2oncc2C1 1359337252 MPGAGYKMIMPUMW-OAHLLOKOSA-N 445.976 4.541 30 10 IJEE CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(OCC(F)(F)F)cc1 1359501374 DMMMRKFAJLCECV-UHFFFAOYSA-N 435.494 4.695 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C2CC2)CC1 1360480722 GBZBCQPVWXDFJD-OAHLLOKOSA-N 444.377 4.548 30 10 IJEE Cc1cc(F)cc(-n2cc(C(=O)N[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)nn2)c1 1435862676 COICFWYGVZNLAA-MRXNPFEDSA-N 446.326 4.767 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)C(F)(F)F)cc1 1436239596 QIFDRZRHIRKXFK-FPOVZHCZSA-N 439.437 4.644 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)c1ccccc1 1439951062 MJJCQINSHVLMSZ-MWZSVNGBSA-N 430.614 4.872 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H]1CCO[C@H](c2cccnc2)C1 1458825395 HMQFEHSKWWSZRU-XLIONFOSSA-N 426.517 4.590 30 10 IJEE C=C(C)[C@H](NC(=O)c1nn(C)c(C(F)(F)F)c1Br)c1ccc(F)c(F)c1 1459181450 HEXGJSKJTAWLMW-LBPRGKRZSA-N 438.194 4.527 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(C)n(CC(F)(F)F)n2)cc1OC 1461589081 NGQSHFUJVANIQU-UHFFFAOYSA-N 434.256 4.702 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1466110778 RKUPORVPQVTWQI-QZTJIDSGSA-N 439.275 4.986 30 10 IJEE C=C[C@H](C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccccc1 1466396235 FEYNSLDWDNIVIQ-MHZLTWQESA-N 425.576 4.960 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccc(F)cc3Cl)CC3CC3)n[nH]2)c1C 1467936062 IMHNCCZJBVOJLI-UHFFFAOYSA-N 441.938 4.921 30 10 IJEE C=CCC[C@H](NC(=O)N1CCCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 1469493044 YYBTXEFYVCWQJB-KRWDZBQOSA-N 437.428 4.992 30 10 IJEE C[C@H](Sc1nccc(-c2ccc(Br)cc2)n1)C(=O)Nc1ccccc1C#N 1473055793 HHZGEFWUEBIBDB-ZDUSSCGKSA-N 439.338 4.897 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC=Cc3ccccc32)cc1 1473386057 IBUQHWZYYFCZAC-UHFFFAOYSA-N 426.520 4.836 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1475107577 FRXBRKFHVWONBW-DOTOQJQBSA-N 428.863 4.845 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1Cc1ccsc1Br 1503476286 IAIAGPLRMPLOCP-UHFFFAOYSA-N 442.386 4.611 30 10 IJEE COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCC(F)(F)CC2)c1 1504115229 COSXWIOCNKFWOS-HNNXBMFYSA-N 433.503 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@H]1C 1507523713 QUOLEQPRHRVDTG-WOJBJXKFSA-N 439.673 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCn2cc(C)nc21 1507525297 AFFDEBYHLHLITQ-HZPDHXFCSA-N 443.382 4.792 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C)C2(CCC2)C1 1507790289 DPKUUNDLWHEBDN-HNNXBMFYSA-N 449.368 4.921 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C(C)(C)C)C1 1507804703 MFQBVCBBFVIWKC-JTAQYXEDSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC12CCOCC2 1507816594 GDYONOFDDNFTQO-GOSISDBHSA-N 445.405 4.927 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(NC(=O)C2CCC2)c1 1507819628 UHPUARFKUUDYNL-QFIPXVFZSA-N 437.588 4.709 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1507916390 PQRGBIUQWQBBOY-JOCHJYFZSA-N 440.636 4.852 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 1507924805 UACYPOAFEWSPIA-IFMALSPDSA-N 447.583 4.707 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccnc(SC)c1 1507972599 JGEPGMSMJIORFG-OAHLLOKOSA-N 425.627 4.919 30 10 IJEE N#CCCN(C(=O)CCC(=O)N(CCc1ccc(F)cc1)C1CCCC1)c1ccccc1 1517627466 ICDIZVOIMPLRPJ-UHFFFAOYSA-N 435.543 4.866 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2cc(I)cc(C(F)(F)F)c2)c1 1520812257 FWPFUFBOZGOJJD-UHFFFAOYSA-N 443.206 4.958 30 10 IJEE C#CCN(C(=O)[C@H](C)Cc1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1521820191 YMMNJQANSFGUNN-DYESRHJHSA-N 426.354 4.922 30 10 IJEE C=CCC[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O)c1ccccc1 1524035815 VTSHQIWSWLWOGI-LXDMNWQESA-N 434.561 4.898 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 1524983042 DYUCAEQQEMNWNA-UHFFFAOYSA-N 440.219 4.933 30 10 IJEE C#C[C@H](NC(=O)C1(c2cccc(Br)c2)CC1)c1ccc(Br)cc1 1525049720 XCJYGRJLPZMKLC-KRWDZBQOSA-N 433.143 4.734 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 1526255163 HYHZTZQSDVBJJX-QGZVFWFLSA-N 430.335 4.655 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccc(F)cc1 1528047155 DYHBEGOLZYEPDX-GOSISDBHSA-N 428.294 4.911 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1528714110 DHTAAEKEJRXPAQ-SIKLNZKXSA-N 433.379 4.670 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(Br)cc2OC)cc1OC 1529111692 MZYIRACSMTZRLN-XKOZXHHJSA-N 446.341 4.922 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3c(OC)cc(F)cc3s2)CCCN1C(=O)OC(C)(C)C 1530528407 PZDJFOAMFRBZFM-NRFANRHFSA-N 435.521 4.728 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(C(=O)OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1530620073 ZBVBSQOAKOQCGJ-UHFFFAOYSA-N 437.477 4.646 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1539059732 JQNXAETWRGNLGD-IBGZPJMESA-N 442.007 4.535 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCCCSC 1539352091 PMOOLYMPBBUYSZ-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCO[C@@H]1C(C)C 1539384900 QODMVYNZZCBMNV-IFMALSPDSA-N 426.580 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H](C)CC 1539621653 SBCAAWUGKIIMIL-XQFWAAQXSA-N 434.588 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CCSCC 1539628554 RGGAXHRNESFIBO-ZJOUEHCJSA-N 429.634 4.598 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1539632921 VTIFHCBFBCDOBA-PZJWPPBQSA-N 443.661 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1539636531 LBGRQXBTGZUHOI-WPYKKVEZSA-N 444.620 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](Cc3ccc(F)cc3)C2)nnc1C(C)(C)C 1539643188 UZDLNJXUQZOOQQ-VWPQPMDRSA-N 426.580 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1539677449 CMTGMJQUBXHXCC-GCJKJVERSA-N 430.980 4.894 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1539767459 VTNNNYMHJOFOLC-YLJYHZDGSA-N 427.474 4.612 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CCCS2)CC1 1539840203 NSYZQNQORRUPPB-INIZCTEOSA-N 449.418 4.768 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1539954819 FPXMMRKNNROROY-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)c1nccs1 1540054787 VZVGQWCKBJADGT-CYBMUJFWSA-N 448.390 4.599 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 1540549866 ASVLWSDGMFEHIW-NRFANRHFSA-N 446.353 4.963 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1540885812 PITXTEZJUSJXJY-BMQTXXJKSA-N 430.980 4.583 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(C)OCCc2sccc21 1541109098 AVENYGOPRVVETK-QRQCRPRQSA-N 441.988 4.744 30 10 IJEE C=CCC1(C(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CCCC1 1543229151 ZAMMGWFMONENMW-UHFFFAOYSA-N 448.489 4.536 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n(-c2ccc(C#N)cc2)n1 1544513505 HNFQAWWZWJXOIA-JOCHJYFZSA-N 441.579 4.892 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)C(C)C)n[nH]2)c1C 1556508037 LSVJMIMBTVTFKR-IBGZPJMESA-N 425.964 4.899 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C 1556660252 JOEYLRCHVYGAJS-CVEARBPZSA-N 447.016 4.675 30 10 IJEE C#CCN(Cc1ccc(OC)c(OC2CC2)c1)[C@@H]1CCOc2ccc(Br)cc21 1560702564 WHTKHFWFJXYGSX-HXUWFJFHSA-N 442.353 4.958 30 10 IJEE C=CCC1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCCCC1 1565661759 MEPKGBRXJKIACH-HXUWFJFHSA-N 430.390 4.685 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1C#N 1567814359 HJYICIMOIWPDIK-AWEZNQCLSA-N 446.498 4.580 30 10 IJEE C=C1CCC(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 1584069869 PQVLEFYNFMYIAM-SFHVURJKSA-N 437.378 4.878 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCSCC(C)C 1587586327 MSNQCQOBNIWKBC-INIZCTEOSA-N 435.435 4.863 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1587604567 WLCUQGOZUXOJFY-BDTNDASRSA-N 444.627 4.709 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](CC)C1 1587883503 COBXZOYUNMQCLR-NRFANRHFSA-N 426.630 4.900 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCSC1 1588434167 WDRUVCJEJDWZTO-IBGZPJMESA-N 447.048 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C(CC)CC)N(C)C 1589186006 OKZONMWEDFZJSQ-SHQCIBLASA-N 444.627 4.852 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cscn1 1589515194 MALSDNYVZTUSDJ-BEFAXECRSA-N 429.977 4.673 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2c(F)cc(F)cc2C1 1589547539 URDIBFMUVNWZFS-OPAMFIHVSA-N 430.543 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1589581352 RMVQWMXFXQFGLY-LMHDGWJKSA-N 430.637 4.804 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)N[C@@H](C)CC)CC1 1594035241 GDZZJIDSJBOCBE-MSOLQXFVSA-N 441.645 4.593 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(Br)ccc2C1 1594720076 AZFBPMCHXKTSQO-UHFFFAOYSA-N 438.373 4.940 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1594738760 GINVIXRFKJRSGI-NRFANRHFSA-N 437.632 4.522 30 10 IJEE C=CCCOCCn1c(CC(C)C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1594819778 LGXBGORHGFEBAI-KRWDZBQOSA-N 447.421 4.956 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1F)C1CC1 1595070983 UEQBFJONTJTUJD-FQEVSTJZSA-N 441.551 4.692 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1595211649 GLVJEFUDIJQGOH-UYAOXDASSA-N 429.609 4.760 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CCC(C)(C)C)CC1 1595319160 BQQKOIQUEUFAAC-NRFANRHFSA-N 425.621 4.779 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 1613136132 PBDAXIYWHSQWKQ-KRWDZBQOSA-N 435.332 4.896 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)CCCC(C)C)nc2sc3c(c2c1=O)CCC3 1613269638 HMTRNEKEJIATFK-OAHLLOKOSA-N 433.643 4.556 30 10 IJEE C=CCN(CCc1ccccc1)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1615366737 LTCRSYWZNUIPGO-IBGZPJMESA-N 438.527 4.520 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 1617339440 WKWGGBMNIZIKNI-XMMPIXPASA-N 446.453 4.586 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1ccc(I)cc1)[C@H]1CCCc2ccccc21 1617567200 UJBSCAYFBUFOHH-KKSFZXQISA-N 443.328 4.934 30 10 IJEE CC[C@H](c1ccc(F)cc1)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 1620555413 GDOIGYJDSORKTE-SQJMNOBHSA-N 436.575 4.538 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@]2(C)CCN(Cc3ccccc3)C2)cc1OC 1620990212 JOCXAXRAUDFDBY-QHCPKHFHSA-N 445.401 4.777 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CC1 1622981188 GOTLVEQDIWGAGY-UHFFFAOYSA-N 447.413 4.808 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1CCCc2ccccc21 1623063979 WHGIXNKIDPDKDP-GOSISDBHSA-N 435.421 4.906 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1 1625197203 PJOJOFSPYFDIEI-XMMPIXPASA-N 440.609 4.997 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(C)=O)c2ccccc12 1631141413 LBHHVTPRILWPCE-FQEVSTJZSA-N 426.513 4.953 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl)C(=O)OC(C)(C)C 1634657066 OLPYDGJKDWHHGQ-QFIPXVFZSA-N 444.934 4.863 30 10 IJEE C#C[C@@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)c1ccc(Cl)cc1F 1636566474 ACNKNCRTCKGENU-HSZRJFAPSA-N 427.951 4.504 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCc2cc(Br)ccc21 1636911562 YZEPZTDZCMIMKL-LJQANCHMSA-N 438.325 4.617 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H]1CCCO1 1638298353 QRUMNUPCVIVZMZ-KBMIEXCESA-N 448.563 4.545 30 10 IJEE C#C[C@@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1 1638463872 WJLYRYOMIMPXCS-XMMPIXPASA-N 444.918 4.669 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c(Cl)c2)nc2sc3c(c2c1=O)CCC3 1656058488 WQGRRLQYZWRMEF-UHFFFAOYSA-N 446.981 4.865 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1658156521 QNRUVPPAQZYGBH-UHFFFAOYSA-N 445.585 4.918 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)C1 1665469044 HTVDMHDOIGIBKJ-GBESFXJTSA-N 443.588 4.927 30 10 IJEE Cc1cccc(Oc2ncccc2NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C 1666208995 CSUYNRDKMAADSO-UHFFFAOYSA-N 441.535 4.712 30 10 IJEE CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C2)CC1 1667890802 DTTAAUFPBWIXGH-OAQYLSRUSA-N 433.556 4.721 30 10 IJEE CC(C)(C)c1cc(NC(=O)NC[C@H](O)c2ccccc2Cl)n(-c2ccc(C#N)cc2)n1 1669880527 CKKBCLNKPXQEJX-IBGZPJMESA-N 437.931 4.550 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCc2cccc(Br)c2)n1 1670187031 FVQMTQDXGFJCQY-UHFFFAOYSA-N 444.720 4.524 30 10 IJEE Cc1ccc(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1S(=O)(=O)C1CCCC1 1672118931 DEUZLSGMYCWDPV-JOCHJYFZSA-N 437.565 4.782 30 10 IJEE COc1cc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c(F)cc1C#N 1673295714 CJVKVXWJLRLNPX-IBGZPJMESA-N 425.485 4.535 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1674724960 QCMFGHPSPPGYHC-IBGZPJMESA-N 426.314 4.721 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCCC)c(OC)c1)c1ccc(Br)cc1 1676177658 QBWBWOYZECWREJ-HNAYVOBHSA-N 445.357 4.981 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 1677501864 ZRKUOLJMYTZBIQ-FQEVSTJZSA-N 443.473 4.963 30 10 IJEE CCCC[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(OC)cc1 1678347606 CKVAJKUIJOJBTJ-SDVLMSEASA-N 436.556 4.883 30 10 IJEE C#CCN(C(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1)[C@H]1CCCc2ccccc21 1680414161 ZKZIGSJUHSQEFS-VWLOTQADSA-N 445.563 4.840 30 10 IJEE C#CC[C@H](NC(=O)N1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1)c1ccccc1 1680742862 BLEBTVHIDMBBMM-RPBOFIJWSA-N 432.564 4.910 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 1681993205 DDGLVWRFSLTNDW-UHFFFAOYSA-N 444.966 4.828 30 10 IJEE C[C@@H](CNC(=O)NC1CCN(c2ccccc2C#N)CC1)c1c(Cl)cccc1Cl 1683613157 GDILIFAXPLPGIW-HNNXBMFYSA-N 431.367 4.937 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1683676784 VOPRLSYQFDLRBN-CVDCTZTESA-N 431.964 4.589 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(C)c(Br)cc2C1)c1ccc(Cl)cc1F 1686922270 FKIPBGLVZNEUFK-IBGZPJMESA-N 435.724 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCOC1CCCCCC1 1689843281 SDEKMQMUEKMXAP-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](OCC(C)C)C1 1689876941 MYNJMMIAVQUACQ-FQEVSTJZSA-N 445.405 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1C(F)(F)C12CCC2 1690038440 PMODQNHPFNBELM-LJQANCHMSA-N 444.913 4.505 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1nc(C)cc1C 1690066547 JJTONQLJVPUQFF-UHFFFAOYSA-N 431.371 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCSCC(F)(F)F 1690210447 CJZUFQGBVOUENK-OAQYLSRUSA-N 436.547 4.741 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1ccccc1OC 1690241918 YYFAQVJWNCLQCB-NFBKMPQASA-N 436.556 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1690246238 SVNAIWLMWOCQGT-SGNDLWITSA-N 438.616 4.785 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N1CCN(CCOCC)[C@@H](CC)C1)c1ccccc1 1690324256 MHTJGLQLNGJXEZ-DEOSSOPVSA-N 437.632 4.586 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOC(C)(C)C 1690332445 AEUBVDAVIDAULD-UHFFFAOYSA-N 445.764 4.851 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)CC)CC1 1690374840 ZXBJNHDRZIIYAB-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2csc(CC)n2)CC1 1690384080 CTYOCBXLNXMRDW-UHFFFAOYSA-N 441.626 4.803 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1690411501 NJYINLPHBJWNBH-HSZRJFAPSA-N 438.616 4.938 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1CC(C)(C)N1CCC[C@H](C)C1 1690533614 PKFSQJYVFQUWLS-FQEVSTJZSA-N 425.621 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1Cc1cc(Br)cs1 1690554196 XFNPPDMSJNMZJW-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2C)C1 1690585369 JAXCUGRDHJOUJE-XLGIIRLISA-N 436.600 4.924 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccccc1OCC(F)(F)F 1690590118 NYCOVIOZOBKQGQ-UHFFFAOYSA-N 429.446 4.508 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1Cc1csc(CC)n1 1690602616 SXASXAHVHMTEQB-UHFFFAOYSA-N 432.597 4.586 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1690633149 LSHOQBVASFDAHZ-TZIWHRDSSA-N 439.604 4.823 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1690644860 WGDNQBZUNYPWKJ-IBGZPJMESA-N 443.586 4.814 30 10 IJEE C=CCn1c(N2CCC[C@@H]2Cc2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653585 YEOMKWWTLFQKIV-FGTMMUONSA-N 443.617 4.508 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1csc(-c2ccco2)n1 1692343318 AUNCLZOUFFUPAC-UHFFFAOYSA-N 447.568 4.871 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1705671254 CDULCKIKVLOSPZ-KBMIEXCESA-N 437.588 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705703316 MCNHRXYSBDWMOZ-GMAHTHKFSA-N 435.547 4.875 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1705722166 XWQUTIKRNCDJOM-AEFFLSMTSA-N 445.995 4.914 30 10 IJEE C=C(C)Cn1c(N2C[C@H]3CCCCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728411 JSUVPJIGZXTIAK-ZRNYENFQSA-N 429.609 4.784 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)N1CCCC1 1705865793 WPEIYBIIMQTUMW-QFIPXVFZSA-N 446.624 4.945 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCC(C)CC1 1705866174 JHACPOQGHSFYRU-IRLDBZIGSA-N 443.661 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc([C@H](C)O)cc1 1705866273 LSFGGPWCYVZIHG-RXVVDRJESA-N 438.597 4.528 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1708875619 DNTTZXFFMDTDIA-QZTJIDSGSA-N 429.540 4.502 30 10 IJEE CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)s1 1708974909 HREBQSDTVKNJHT-MRXNPFEDSA-N 432.553 4.983 30 10 IJEE COC[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@](C)(C#N)C1 1712143374 AMOGSZWJRHPEKR-UQBPGWFLSA-N 439.604 4.567 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1OC(F)F 1722345176 FOLWLEIZKQDVLJ-HNNXBMFYSA-N 442.535 4.851 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCCN1CCCC1 1722406468 YTNPPRHHWYIPLH-FQEVSTJZSA-N 439.673 4.857 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(C(F)(F)F)c1 1722470884 YMXMPKPCZMPSGT-HSZRJFAPSA-N 439.485 4.962 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C1CCCCC1 1722474933 MKWIYRFLURDWJA-ZEZQGNGESA-N 442.648 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCc1cccs1 1722509193 MEVKKEWNAWXBFY-QPPBQGQZSA-N 436.625 4.899 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(Cl)nc2)CC1 1722560165 RBAIPGDVOMJFCE-INIZCTEOSA-N 427.911 4.810 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@@H](F)C1 1722595223 MEIKISCCQPUTHX-QZTJIDSGSA-N 438.551 4.915 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722602219 SUMZNKVZEQHSIQ-OAQYLSRUSA-N 437.632 4.553 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1722651278 HFRSZWJTCGDQPY-IFMALSPDSA-N 437.632 4.749 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1728072497 CIZRDIRNNUOYPX-FDDCHVKYSA-N 444.986 4.695 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@@H](OCC)C1CCCC1 1740545205 OPMKXLWTKDOFDS-YADARESESA-N 433.600 4.880 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@H]1C 1740572440 LGJZAFAPJGXKRU-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1cc(Cl)ccn1 1740713519 HHTCBMFAHMVARD-UHFFFAOYSA-N 432.380 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)CCC(C)C 1740733365 KLBRQMKFBIHHLG-FTJBHMTQSA-N 433.600 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)CCC 1740734716 BTKNIXJMJRQBFY-YADHBBJMSA-N 433.021 4.767 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C)cc2)CC1 1740747572 OASDEKPLQSXSIE-UHFFFAOYSA-N 444.421 4.554 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H](C)C1 1740915385 FCJAWXOOKPCGJU-RBBKRZOGSA-N 447.583 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(COC)cc1 1740923462 MMOKLHPGMSVSCB-QFIPXVFZSA-N 438.597 4.969 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1740944636 BBDJDYUUDFMQDO-UHFFFAOYSA-N 441.377 4.752 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2CCOCC2)C1 1740975210 NAYCZZHFWSBSRE-QHCPKHFHSA-N 438.616 4.841 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccnc(SCC)c2)C1 1740981328 NSYRDSKVCQTLJN-QFIPXVFZSA-N 449.624 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1748656160 NCZUKCDMJLZPDG-BHYGNILZSA-N 436.478 4.714 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C1CC(C(C)(C)C)C1 1748950356 MNIWGZACXOAVBH-ZJRDLVKKSA-N 428.552 4.640 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)F 1749087977 YTRDRMYFMDJUOO-GFCCVEGCSA-N 433.272 4.557 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C[C@@H](C)CC 1749103534 ASGABPIQKRHFIG-KSSFIOAISA-N 435.366 4.572 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(OC)CCCC2)CC1 1749288275 PIYKXPRTFBHWPE-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)OC)CC1 1749329121 GTVPXLLUWBHMEN-GOSISDBHSA-N 428.577 4.644 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(COC)CCCCC2)CC1 1749335166 PQAYKIUHZGUBDI-UHFFFAOYSA-N 429.996 4.993 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cc(C)on2)CC1 1749347058 HEKKUWOZRGTBCU-UHFFFAOYSA-N 429.977 4.971 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](OC)C(F)(F)F)C1CC1 1749521348 LVUUTHKJPRNOLL-KRWDZBQOSA-N 428.886 4.645 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1CCCN(C)C(=O)OC(C)(C)C 1749539356 ZOVRBRMCZVTQIE-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CC(=O)NC1CCCCC1 1749541552 RYKGBCSMVHRRGL-GOSISDBHSA-N 427.568 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOC2CCCCCC2)C1 1749714326 HOUQCSWJHCHBAR-HSZRJFAPSA-N 442.579 4.529 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)CCC1 1750265544 CJUZAPURUYIQKH-MSOLQXFVSA-N 425.602 4.639 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1CCCC[C@H]1C 1752128880 AAQTXKNJZJPDGR-ZWKOTPCHSA-N 446.546 4.549 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)c1ncc(C)s1 1760110565 FCFZCKIHNAAXPM-HOTGVXAUSA-N 432.553 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C)C1 1760317308 DNOLMVCOCMXYRN-QRFRQXIXSA-N 432.515 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1760334206 VBLNYYLBQQMFBZ-WOJBJXKFSA-N 434.588 4.737 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(F)(F)F)CC1 1760335628 PBUHWRFPELJMPX-FHWLQOOXSA-N 442.526 4.670 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1760371412 YQAYHTCPIIXXLO-KBPBESRZSA-N 437.769 4.703 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccco1 1760478395 GGYOTUWOQBDDPT-VWLOTQADSA-N 438.572 4.569 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCC(C)(COC)CC1 1760533504 HJKOWYOBJDRPML-UHFFFAOYSA-N 438.616 4.877 30 10 IJEE CCCCN(C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1765737710 GAMMXCOGLIGGLX-SFHVURJKSA-N 428.650 4.746 30 10 IJEE N#Cc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n(Cc3ccccc3F)n2)cc1 1859414853 ONGCIPDXWYEEGO-UHFFFAOYSA-N 441.422 4.770 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Br)cc2F)cc1OCC 1860728982 QJTMJUSCIDTOFG-WEVVVXLNSA-N 436.277 4.607 30 10 IJEE C=CCNC(=O)[C@H](NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1)c1ccccc1 1861435835 GUFAVKVHMNLQJF-XMMPIXPASA-N 438.531 4.566 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccco1 1861788086 GNZQRRFXYFPXRL-GQRCBVMOSA-N 440.584 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)cc2)cc1C 1862401201 VYORYTDAJSQKAT-OFSQETHSSA-N 435.520 4.866 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430334 IKIVASXAWVIWFN-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(OC)c(OC)c1 1862437042 IFBDBILONZRLBO-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC(C)C)cc1 1862494370 LTXCGNJVJISVBK-JOCHJYFZSA-N 435.520 4.714 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862518027 AJXOZEHMQMDEMM-QVKFZJNVSA-N 438.480 4.760 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1 1862607580 SLJRSBNWOJIIDO-NRFANRHFSA-N 441.911 4.736 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862621961 CAEHBPSRPRDLTI-HXUWFJFHSA-N 438.480 4.586 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3ccc(F)cc3)C2=O)c1 1863409057 WSHVGEKISOJKBS-UHFFFAOYSA-N 439.490 4.749 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(CCc2ccc(F)cc2)C1=O 1863452421 MDQDQFQVXLFLDI-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)c1 1863469522 MYYXKQIIJQJPTP-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE N#Cc1cc(Br)c(NC(=O)CCc2cccc(F)c2)c(Br)c1 1866126093 XTMNBQBJJMFXLC-UHFFFAOYSA-N 426.083 4.794 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)C(C)(C)NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1867739251 RVEFVYAVCBPBJO-HNNXBMFYSA-N 438.742 4.845 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(C)c(C)c2)n(-c2cccc(Cl)c2)n1 1870002361 LKCOFXSRVRMUSS-UHFFFAOYSA-N 435.959 4.897 30 10 IJEE Cc1cccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)c1C 1870144786 KYJCGDVDLOGDRO-UHFFFAOYSA-N 438.491 4.517 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1F 1870147746 FRBAZWLFVDHWON-OAQYLSRUSA-N 425.467 4.552 30 10 IJEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1871232682 OIDHVBFPVXPKBM-UHFFFAOYSA-N 446.547 4.569 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)cc1 1871389464 XGBBCNIYHIUYHK-STZFKDTASA-N 429.428 4.541 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1OC 1871396788 VNKVBGILDBCUIP-IHBCXDABSA-N 437.536 4.812 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871432555 CJEYJNMUDCHVIG-GQFJFNLSSA-N 448.874 4.751 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871804711 TVCYSZAQDLXTSO-MRXNPFEDSA-N 440.487 4.526 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1871871810 UNLGWYZTLVSDDQ-NRFANRHFSA-N 434.989 4.960 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCC 1871946193 UYOIMYNFHZMHSX-SFHVURJKSA-N 435.417 4.965 30 10 IJEE N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)s2)cs1 1872789930 ZDTPTXLIQNQOHM-HUUCEWRRSA-N 441.965 4.750 30 10 IJEE C=CCNC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc2c1CCCC2 1873443015 WKLKJUYWNSLFLL-UHFFFAOYSA-N 432.973 4.992 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccccc1C(=O)O 1874232240 ROUJTCVNQAGNJG-PCLIKHOPSA-N 430.533 4.909 30 10 IJEE CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1cc(Cl)ccc1O 1874241297 ZCOHRHNRHLHYCR-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE OCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1c(F)cccc1Cl 1874271639 FVOIQSKFPQEDOE-AFUMVMLFSA-N 440.931 4.781 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1cccc([N+](=O)[O-])c1 1874313096 CLMLMQKNFCXFOI-OEAKJJBVSA-N 437.525 4.531 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccccc1C(=O)O 1874316716 HNMYFJYWUWDCOF-BUVRLJJBSA-N 436.537 4.538 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874323240 FWFPIFSBBJEKMZ-FSJBWODESA-N 437.525 4.933 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1)Nc1ccccc1F 1874425902 GWSKSNPDCIEWEM-MFKUBSTISA-N 431.496 4.697 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccs1 1874464585 RGOLCCOLAFNMFH-LPYMAVHISA-N 437.550 4.775 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(OC)cc1 1874478363 WTMNLDXMBRPIGH-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(CC)cc1 1874485291 NLBGCSXWYMDRPR-LFVJCYFKSA-N 429.634 4.761 30 10 IJEE COc1cc(/C=N/n2c(C)nnc2SCc2ccccc2C)cc(Br)c1O 1874528675 VTFSCFSFNZNGML-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccccc2OCC(=O)NCc2ccco2)c1 1874586163 YVAGZTJUPJAFMP-ACCUITESSA-N 449.503 4.668 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OC)c(OC)c2)cc1OCCC 1874612720 IVEQBRTUSNJPKU-JXMROGBWSA-N 442.508 4.721 30 10 IJEE COCC(=O)Oc1cc(/C=C/C(=O)c2ccc(Cl)cc2)c(Br)cc1OC 1874701028 YFYJAQXLRBRYIZ-VMPITWQZSA-N 439.689 4.559 30 10 IJEE CC(C)[C@H](C#N)SCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1928795492 XTTBXHGJLWUIQW-YADHBBJMSA-N 438.549 4.650 30 10 IJEE O=C(O)CC[C@H](CC1(CS)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952154577 BNARRWBJFVSJOW-MRXNPFEDSA-N 425.550 4.859 30 10 IJEE N#Cc1ccc(C2(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)CC2)o1 1952522897 LWDCTSZAROISQD-QFIPXVFZSA-N 442.471 4.565 30 10 IJEE O=C(O)C[C@H](C1CCC1)[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 1952815959 WCRRDZIRYUAUBU-IRLDBZIGSA-N 425.550 4.715 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCN(Cc2ccc(Br)cc2C#N)C1 1966310927 VXHQRBOJQOHLOJ-LPHOPBHVSA-N 434.378 4.542 30 10 IJEE C=C(I)COc1c(Br)cc(Cl)cc1C[C@@H](N)CC 2077481812 AHBYBBGLWFOCRE-NSHDSACASA-N 444.538 4.710 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2079192069 PBOGHJLNZBPOHH-ZJZGAYNASA-N 444.616 4.542 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079977439 LZTSCACRRZHUDV-IBGZPJMESA-N 447.320 4.943 30 10 IJEE CC1(C)OB(c2ccoc2CNc2cc(Br)c(Cl)cc2F)OC1(C)C 2112634211 NLVFODPSISVPRE-UHFFFAOYSA-N 430.510 4.746 30 10 IJEE CCC(CC)N(CC(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172774004 JPWWZVZLLKCNMA-UHFFFAOYSA-N 425.220 4.794 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CCNc2ccc(C#N)c(Br)c2F)C1 2205242434 PAHIKLNUARPDMZ-VBKZILBWSA-N 438.341 4.909 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)CC#C[Si](C)(C)C 2229130488 OOPRCJSXQZFAAI-QGZVFWFLSA-N 438.438 4.725 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2235719916 GTZAXFKSVJFKLU-CVEARBPZSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@H](O)C#Cc1ccccc1Br)C1CCCC1 2235729944 JRMUDUDMWOAIJP-RBUKOAKNSA-N 436.390 4.883 30 10 IJEE Cc1csc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2247916223 SJOZPVPETFHMTD-KRWDZBQOSA-N 425.403 4.797 30 10 IJEE C[C@H](NC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2255866954 WXEOCDADFQFIJO-WBAXXEDZSA-N 430.354 4.693 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2256016556 KGEFMNKAUREKKC-UHFFFAOYSA-N 443.755 4.997 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2262207815 UYFRJQHMZLRFRO-ZZYHAFTGSA-N 445.556 4.551 30 10 IJEE CC1(C)OB(C2CC(C(=O)NCCc3cccc(OCc4ccccc4)c3)C2)OC1(C)C 2267216489 SJORCHLMMCHANP-UHFFFAOYSA-N 435.373 4.797 30 10 IJEE CC1(C)OB(c2ccc(O)c(C(=O)N(Cc3ccccc3)c3ccccc3)c2)OC1(C)C 2267811905 SXPMJTCKAWNYSJ-UHFFFAOYSA-N 429.325 4.538 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267841651 RGQNOSRPZBUEGC-UHFFFAOYSA-N 439.365 4.527 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](Nc1ncc(C(C)(F)F)s1)C(F)(F)C(F)(F)F 2279293279 OACFBWWMZJMYJN-SSDOTTSWSA-N 425.370 4.758 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1cc(Br)ccc1C#N)CC1CCCC1 2288030819 PRUMHWOKHOVFEB-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@@H](C#N)CC23CC3)c1 2288478592 RKASLCNSPXMFLW-CYBMUJFWSA-N 434.334 4.704 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2296275969 CIDDISJFHHQZEX-IBGZPJMESA-N 432.358 4.940 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2296278749 HLKQKNSMVGZOIJ-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(O)C#Cc2ccc(Br)cc2)C1 2296281723 NURWZVRRSYXOQC-JUXOCIIHSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@H](O)C#Cc3ccc(Br)cc3)cc2C1 2296284743 UIZGAIBISVYKEG-QGZVFWFLSA-N 448.382 4.889 30 10 IJEE C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C=CC)cc2OC)CC1=O 2296474098 QOSYHYFLASJACX-HXUWFJFHSA-N 431.536 4.659 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccs4)ccc3C2=O)c(OC)c1OC 2296867457 QTCMMTIHNFEFFY-UHFFFAOYSA-N 438.457 4.609 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(F)cc3F)S2(=O)=O)cc1 2296957081 SAEXQLJZULDHGJ-UHFFFAOYSA-N 446.500 4.821 30 10 IJEE CCN[C@H](C#CC1(SC)CCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2299640139 JEDFIZVWRBPTBL-NNWRFLSQSA-N 446.657 4.752 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2305319348 LZLABCNUOPFEDV-STWLZBDKSA-N 428.573 4.555 30 10 IJEE O=C1[C@H](c2ccccc2)SC(=NS(=O)(=O)c2ccc(Cl)s2)N1c1ccccc1 2314396819 LEOBYIULMSNOHQ-KRWDZBQOSA-N 448.978 4.968 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 2314478942 YEKLIQHYPORJGA-XMMPIXPASA-N 429.472 4.856 30 10 IJEE C[C@H]1[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317346778 MWQUMYAGTROANL-LGNMEBTLSA-N 430.354 4.503 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(C[C@@H]2COc4ccccc4O2)CO3)C1=O 2322234776 UMGKTXHRVQIYQU-LJQANCHMSA-N 441.483 4.603 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1OC(=Cc1ccccc1Br)C2=O 2324081068 XYPDZHBSUBYGEM-UHFFFAOYSA-N 426.310 4.945 30 10 IJEE COc1ccccc1C=C1Oc2c(CN3CCOc4ccccc43)c(O)cc(C)c2C1=O 2324155704 BBHUWNGJGLHBJE-UHFFFAOYSA-N 429.472 4.724 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325081389 DZHSHAFGXIALQW-GOSISDBHSA-N 425.437 4.630 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(F)cc1F 2326695987 RBJKMPSRAJDSBQ-UHFFFAOYSA-N 432.496 4.918 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326736201 IZVIKTFMRFFIRW-UHFFFAOYSA-N 443.504 4.851 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1c(C)[nH]c2ccccc12 2326756852 NJWPLMKUXYOUJJ-UHFFFAOYSA-N 433.537 4.591 30 10 IJEE C=CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)C)cc1 2327878526 CVQIDAROYXIQCU-LJQANCHMSA-N 425.602 4.676 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cc(Cl)ccc1O 2328580085 CPCFAHZEQNLVNZ-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2329091297 YGFFIVMNDPRKCR-UHFFFAOYSA-N 446.960 4.542 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccccc1C 2329459696 DCZWBEDPTWNDSA-UHFFFAOYSA-N 436.581 4.722 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccccc1F 2331327795 WABBKEWLHSVLRV-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1F 2331456713 WHFWFBFANCSIQK-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE CCCSc1nnc(CC(C)C)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331463424 GTTFSDWTEBVIIO-UHFFFAOYSA-N 441.395 4.728 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc(Cl)c2)cc1OC 2331608409 BERNNJPTBYLWGA-UHFFFAOYSA-N 446.960 4.660 30 10 IJEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1c(F)cccc1Cl 2331659491 MURYYBYQVKNVRP-UHFFFAOYSA-N 439.988 4.646 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2cccc(OCC)c2)o1 2331695878 LPSDWAZDYLPAAK-UHFFFAOYSA-N 442.541 4.744 30 10 IJEE C=CCC[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339596318 IGRGMRYTMPCWHS-IQGVVSCOSA-N 444.381 4.965 30 10 IJEE CN(CCCCN(C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339603616 CTWMSLOVAPYZJB-CCEZHUSRSA-N 445.413 4.810 30 10 IJEE C#Cc1ccccc1NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2339963799 JOFCWCBEENGDRY-UHFFFAOYSA-N 447.579 4.556 30 10 IJEE O=C1Nc2cc(C(=O)NCc3ccc(F)cc3)ccc2N/C1=C\C(=O)c1ccc(Cl)cc1 20176986 LSTAQUSSBLHEKD-MTJSOVHGSA-N 449.869 4.540 30 10 IJEE COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)c1OC 21243929 QHBLLZBOPQBPSM-WIYYLYMNSA-N 449.547 4.743 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 35420737 QBRJVGYFQAXYDQ-YDTSGJJXSA-N 432.501 4.724 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 41285163 JWVMCJDZPXNBOL-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 41586931 VJOULBLRHXYYQA-RMORIDSASA-N 445.446 4.831 30 10 IJEE O=C1/C(=C\Nc2ccccc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 105336642 SPDNSFSPJQWBPF-LDADJPATSA-N 430.938 4.888 30 10 IJEE Cc1c(Cl)c(C)c(/C=N\CCNc2ccc([N+](=O)[O-])cc2)c(O)c1Br 106346482 VYPZJEONUMIDQM-UKWGHVSLSA-N 426.698 4.864 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1cccc(C)c1 169970353 NIDKMCAMYNOCLM-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccs2)cc1 169988778 LFFJRCHCNOTGGP-NRFANRHFSA-N 435.501 4.544 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccnc1 170005753 JVAXTZVGEQOBCO-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOC(C)C)c1 170035316 ZCNBPFKMBCFRNZ-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccccc2)cc1 170050788 FSPMMOKSWGPCJC-HSZRJFAPSA-N 441.483 4.873 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1cccc(Cl)c1 170083032 AOYQUGUOKMSYIP-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@@H]2c2ccco2)cc1 170099157 VSQNHEXLUVLPIQ-HXUWFJFHSA-N 431.423 4.640 30 10 IJEE Cc1[nH]c2ccccc2c1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccco1 170104003 GUDMEHKJEFPAQX-JOCHJYFZSA-N 430.435 4.987 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143557 WZDNAYKDFUTYPS-ISKFKSNPSA-N 427.500 4.906 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1OC(C)C 170150953 JJPXVZUZXXBJBR-QFIPXVFZSA-N 437.492 4.581 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1)c1cc2cc(Cl)ccc2o1 170162248 JXCVLYKRKLQXSQ-AUUYWEPGSA-N 443.908 4.905 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccccn1 170180391 STAAWURQHOOJJJ-QGZVFWFLSA-N 435.307 4.775 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1 170241007 KKKMQWJIUAWLLW-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)cc1 170264329 HQJUIXLWBLVIES-HSZRJFAPSA-N 435.520 4.948 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccco2)c1 170289301 NOKONZYSTHZSPS-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@H]3c3ccco3)oc12 170296235 IXPNBDQJUDVPFF-NRFANRHFSA-N 447.418 4.952 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccs2)o1 170298185 YMCYTKYUIUHJLL-SPLOXXLWSA-N 435.501 4.751 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccccn2)o1 170307221 QWJSDILOLPBQGA-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1cc([N+](=O)[O-])ccc1C 254699592 IJYBTWBAMKPFDJ-UHFFFAOYSA-N 434.481 4.526 30 10 IJEE COC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 504807341 ZAPGXAOOUHCFON-WXGXSRQYSA-N 434.495 4.746 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508487790 HAQSVTKFRANVJZ-MRXNPFEDSA-N 436.585 4.727 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 508918432 MZOUGXSDWHHDTH-IBGZPJMESA-N 432.446 4.938 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(C)c2)c(OC)c1 526607906 ZRUPUCDXPCMJFY-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE Cc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(O)c(Br)c1 526806585 LERLZLHHVMPMHE-UKWGHVSLSA-N 437.750 4.883 30 10 IJEE COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC1CCCC1 538149977 GPIFAXCARNBJJT-CVEARBPZSA-N 425.529 4.776 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 731114142 HFNUVVFSTZCJLY-MRXNPFEDSA-N 432.590 4.707 30 10 IJEE C=C(Br)CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 746170081 BBRXINMRRCOFDD-UHFFFAOYSA-N 442.157 4.548 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)CC2)cc1 761711676 IPACEMFQOOIKED-KGENOOAVSA-N 447.888 4.892 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 803525798 VELCNUZRTNFBIQ-DHLKQENFSA-N 444.962 4.952 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1)c1ccc(Cl)cc1 810470468 GNPKTRPWVBHROB-IMRHEYAYSA-N 438.955 4.865 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cc(Cl)c(F)cc1Cl 815504547 CHQHYZAMKQKBMU-LBPRGKRZSA-N 439.270 4.633 30 10 IJEE NC[C@@H]1CCC[C@@H](C/N=C(/NCc2cccc3ccccc23)Nc2ccc3c(c2)OCO3)C1 1088703119 DMOGGEKIYVSAHC-WOJBJXKFSA-N 444.579 4.891 30 10 IJEE CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1127330302 FNWIONKPFJMBEA-HXUWFJFHSA-N 448.548 4.961 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1128803739 IVLXUQXIKBRTDA-HXUWFJFHSA-N 434.334 4.605 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1SC 1130290184 DCVREOBRYBGADJ-UHFFFAOYSA-N 439.306 4.598 30 10 IJEE C=CCC1(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CCOCC1 1130698701 UBDGXSZNGFHAHK-UHFFFAOYSA-N 443.341 4.557 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)CCOCC1 1135469940 GBIXYYKKWUYSMS-UHFFFAOYSA-N 448.972 4.761 30 10 IJEE O=C(c1cc(F)ccc1-c1cccc(C(F)(F)F)c1)N1CCN(CC(F)(F)F)CC1 1135929256 BPDJMWXWLLWGCL-UHFFFAOYSA-N 434.355 4.832 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 1143752689 ACOOZQDRKGPMBN-OAQYLSRUSA-N 444.535 4.785 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 1148991719 MATYSXPGQRTIHX-RCCFBDPRSA-N 445.387 4.550 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(OC)cccc1OC(F)(F)F 1152265580 KMQBMVGFNDTHPC-ZDUSSCGKSA-N 432.439 4.782 30 10 IJEE Cc1ccc(C2=NN(C(=O)CN(C)[C@@H](C)c3cccc(C#N)c3)[C@@H](c3ccco3)C2)cc1 1171399403 GZTQUOUSEBFDER-YADARESESA-N 426.520 4.830 30 10 IJEE C#CCCOc1ccc(CN[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1 1178805501 LVHGJVCHDXHDSZ-IGKIAQTJSA-N 431.507 4.769 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2c(Cl)cccc2N2CCN(C)CC2)cc1 1178895488 MZXGUYLRVIDJCI-UHFFFAOYSA-N 439.003 4.518 30 10 IJEE C=CCn1c(SCc2nn(CC)nc2C)nc2scc(-c3ccc(C)cc3)c2c1=O 1187948357 OLINBVJTYXHBIJ-UHFFFAOYSA-N 437.594 4.832 30 10 IJEE C=CCn1c(SCc2nnc(C3CC3)s2)nnc1-c1ccc(Br)cc1 1188292684 TYLIVMATFAJZDH-UHFFFAOYSA-N 434.388 4.915 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccccc2CN2CCc3cc(OC)c(OC)cc3C2)C1 1199253762 ZLULCXXWOAQDPB-HXUWFJFHSA-N 447.579 4.529 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)cc(OC)c1OC 1202402522 CCCUTYMKAWERQD-GOSISDBHSA-N 438.572 4.836 30 10 IJEE C=CCOc1ccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1 1210160822 PFLLNBOCXVIUEG-UHFFFAOYSA-N 437.233 4.800 30 10 IJEE COC(=O)[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)Cc2ccccc21 1214602315 DFJKUCOGYDGRPV-BJKOFHAPSA-N 425.488 4.646 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1ccc(Br)cc1 1215500980 KTRCJCCVABPHNH-PVPMGCCUSA-N 445.260 4.573 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC1(c2ccccc2OC)CC1 1219084542 PYKGAILCLMQMQE-UHFFFAOYSA-N 431.330 4.876 30 10 IJEE CCOC(=O)c1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 1264240938 DMXFNYVDIHYUOJ-UHFFFAOYSA-N 425.916 4.634 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1266808535 BBVCUGXRWGXELH-QQBNSCQMSA-N 429.192 4.725 30 10 IJEE C=CC[C@]1(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CCCN1C(=O)OC(C)(C)C 1273439289 ZZNVYZMVKUWWID-AREMUKBSSA-N 441.616 4.503 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccco1)C(C)C 1286544584 KCCGPXMPYKOMMT-UHFFFAOYSA-N 436.379 4.550 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C2CC2)C1 1286605395 MRMGEFAZDQDHRA-QGZVFWFLSA-N 431.378 4.537 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1286614107 LDFNXFOPYXUDEB-KDURUIRLSA-N 433.021 4.909 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1286655211 OUWORAKOPJTDHJ-FQEVSTJZSA-N 430.600 4.872 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1286680132 AJHSEGNKRISUFQ-JQYIIUTOSA-N 438.616 4.772 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1286691318 DWIKNBAIMUTUAG-JOCHJYFZSA-N 449.020 4.576 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286704109 KOCISEFMZCMKRH-NRFANRHFSA-N 437.632 4.751 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnccc1OC)C1CC1 1286732249 ODALTPHRAGLHLC-MRXNPFEDSA-N 439.947 4.678 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)c1ncc(C)s1)C1CC1 1286734342 QYRBMZOBKSVZLB-OAHLLOKOSA-N 439.585 4.686 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1Cc1c(F)cccc1OC(F)F 1287023000 CTYJZWFVOJLCOY-UHFFFAOYSA-N 435.494 4.786 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCOC2)c1C 1289103617 GYSHMXMHIQZZIK-RBBKRZOGSA-N 437.588 4.592 30 10 IJEE CC(C)(C)c1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(O)c(C(C)(C)C)c1 1293348395 BJONYNOKDQBIGQ-NRFANRHFSA-N 433.596 4.837 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)[C@@H]1C 1300348985 PZEOSIHJOCJZSP-KBPBESRZSA-N 439.448 4.903 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1300393760 KJOSUBZRZUGHJL-JKSUJKDBSA-N 433.419 4.760 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOCC2(CCC2)C1 1301174422 RDECNYYSTWUKLC-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C)(C)CC1 1301217830 FXGOXAPHBSDSHV-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC)CC1CC1 1301220530 BYSRZILGULEWGP-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1301474691 FVUBTUNCRHQQAI-WBADGQHESA-N 438.616 4.987 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1301602850 XFFCGAIFXCHOEP-OALUTQOASA-N 442.629 4.898 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc([C@H](C)O)cc1 1301956210 GLTPMLHESMJFII-KURKYZTESA-N 449.624 4.829 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCOCC1 1303909876 DKGMVHZPSDANDA-GAJHUEQPSA-N 443.979 4.628 30 10 IJEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(CC(C)C)C2CCCC2)n1 1304893948 DGRKCUNLQKXONL-UHFFFAOYSA-N 433.560 4.546 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1305476327 DBSPHEKMWCTRIB-NTKDMRAZSA-N 439.579 4.809 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 1312960088 QOZHRKZVNWZXPN-AREMUKBSSA-N 438.568 4.692 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 1351046237 FQCVRCATHUEZRP-GGAORHGYSA-N 426.582 4.661 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F 1352319345 QVIFFWQFGSBWPZ-LSDHHAIUSA-N 438.259 4.850 30 10 IJEE C=CCC1(C(=O)Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)CCOCC1 1354845294 BYSOHZVFZURSFV-UHFFFAOYSA-N 433.596 4.629 30 10 IJEE C#CCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1354984358 LBVZPVJVPHDLIO-UHFFFAOYSA-N 428.554 4.560 30 10 IJEE COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2csc(C#N)c2)c1 1355950418 GVOJRNYNVBMJLF-UHFFFAOYSA-N 429.910 4.858 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1358906116 WXGGUUVLECVZBE-DHIUTWEWSA-N 430.600 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1358990622 UXFVYFNIHCVOAB-DENIHFKCSA-N 436.575 4.777 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1359049525 RFIMUVGORDVMDE-FXAWDEMLSA-N 428.602 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1359093782 SKYIZUNQWCCAPP-QAKNJHSXSA-N 430.980 4.583 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)NCCCC)CC1 1359118770 BVOIAUHRDRFONW-UHFFFAOYSA-N 437.632 4.951 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(C)C)C1 1359128598 ZAJKZOAQYPAKOF-OAHLLOKOSA-N 439.423 4.844 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1359168128 ISLGHXFEGPCTDD-GMAHTHKFSA-N 437.632 4.751 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1359168590 ATODIVTYLDKWGV-OAQYLSRUSA-N 441.595 4.521 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)c1nccs1 1359209732 XOLBGSCKGBUFEK-CQSZACIVSA-N 449.422 4.709 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCSC[C@H]1C 1359223888 YYCISFUFBCVGIV-DLBZAZTESA-N 432.659 4.666 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1359273159 QSXBKIHNOLKSFO-KBMIEXCESA-N 443.586 4.836 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1ccc(F)cc1 1359273910 SWUZKODYJCTTMC-UHFFFAOYSA-N 425.577 4.929 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(C)s1 1359278869 JTVLOTHTANEFFQ-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1359340706 WLDOGPGRIKBFNC-INIZCTEOSA-N 448.017 4.552 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1359473499 CXHFFMIOLFODQA-ZWCUEREDSA-N 444.023 4.959 30 10 IJEE C=CCN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1435899457 HQKBPLFXNKWQKO-FQEVSTJZSA-N 436.335 4.561 30 10 IJEE C=CCc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc(OC)c1OC 1451924942 SYAIRESQVIIAGB-QFIPXVFZSA-N 437.927 4.597 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)C1 1452999059 MHCQPDKBFMCURC-KRWDZBQOSA-N 432.973 4.878 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(F)c(F)c1 1459186464 SBWZJFUGRSAPCZ-QFIPXVFZSA-N 438.474 4.941 30 10 IJEE C=CCOc1ccc(CN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C(C)(C)C)cc1 1459746663 IBHGRMHBAZTTQD-XMMPIXPASA-N 440.559 4.591 30 10 IJEE COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)CCC(=O)N(CCC#N)c1ccccc1 1461035358 DNWOXOQZDYXJPL-NRFANRHFSA-N 433.552 4.584 30 10 IJEE CCC(CC)(CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(F)cc1 1464139696 AXVBJYXUWUSGFP-UHFFFAOYSA-N 428.451 4.752 30 10 IJEE C#CC[C@@]1(C(=O)NCCc2nc(C3CCCCC3)cs2)CCCN1C(=O)OC(C)(C)C 1464848130 KTVHLVNIDCIKCT-DEOSSOPVSA-N 445.629 4.643 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 1464914061 GGPXQBIZYNECHJ-ICSRJNTNSA-N 426.561 4.784 30 10 IJEE Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 1464966639 AVLYKHIPXAMZPZ-QHCPKHFHSA-N 449.551 4.503 30 10 IJEE C#CCN(C(=O)Nc1cccc(I)c1)[C@@H]1CCCc2ccccc21 1465132616 GILBDRZSZPPCDU-LJQANCHMSA-N 430.289 4.836 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1 1466735854 FIMGNKDIGKBJEA-ZBFHGGJFSA-N 431.945 4.557 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(Cl)cc1F 1468031455 WTQBYESTFNBZMO-RTWAWAEBSA-N 434.342 4.943 30 10 IJEE C=CCC1(NC(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCCCC1 1469578399 UIGHTAJWHAFVFZ-LJQANCHMSA-N 437.506 4.775 30 10 IJEE COc1cc(CN(C)c2cc(Br)c(C#N)cc2F)c(SC)cc1OC 1472702395 BKBOSXHAGVAAGA-UHFFFAOYSA-N 425.323 4.835 30 10 IJEE N#Cc1ccc(-n2ccc(NCc3cc(Br)c4c(c3)OCO4)n2)c(Cl)c1 1474084274 FUFSJUCRBAZVKW-UHFFFAOYSA-N 431.677 4.501 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 1474321778 SKDRVTNIZCVZSA-UHFFFAOYSA-N 435.326 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 1474485558 NKZWZJVDXYCYDH-BEFAXECRSA-N 439.503 4.917 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)CC1 1477804062 XNEPITLOHGKFGJ-FTJBHMTQSA-N 433.596 4.976 30 10 IJEE C=CCC[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(C(F)(F)F)cc1 1478271798 FSWYJGJQAMZPGF-HQRMLTQVSA-N 445.485 4.703 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCN2C2CCCCC2)cc1 1497836028 GOLMELNINOVQHJ-RDPSFJRHSA-N 434.632 4.900 30 10 IJEE CS[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)CC#N 1505162939 AZMNCCGWJFWOHY-VXGBXAGGSA-N 442.814 4.851 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCc2ccccc21 1507555221 JMTFQLPKKMITCP-HXUWFJFHSA-N 438.373 4.963 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H]1CCCO[C@@H]1C(C)C 1507701243 ARGRSSRJWJHXDR-ZJSXRUAMSA-N 426.580 4.707 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@H]1C 1507747239 BPYZBAYLKMSYNV-RTBURBONSA-N 436.581 4.718 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCN(C)c1ccccc1 1507810759 YBWVZKRZLQRZJG-WIOPSUGQSA-N 437.632 4.565 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1)c1ccccc1 1507853091 AHGOKFMALPHGNU-UHFFFAOYSA-N 435.597 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1507911915 CBDBXULHXDFZJR-OAQYLSRUSA-N 430.600 4.653 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)c1nccs1 1507938803 CXQNNMATEFXPNG-CYBMUJFWSA-N 435.395 4.698 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1507989342 BVDQMGFUAWJOLT-CVEARBPZSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCc1cn2ccccc2n1 1507995748 CJMXWVQSRJESNS-UHFFFAOYSA-N 439.567 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCC1 1508007070 QYPNIWUXQCHZLM-FQEVSTJZSA-N 429.634 4.648 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CC[C@@H](c3ccco3)C2)nnc1C(C)(C)C)C(C)C 1508013175 NFUDNDFQZQKOFF-NHCUHLMSSA-N 425.621 4.861 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C)c1cccnc1 1508850361 FTVLGUNFDWFTAT-MSYCTHLASA-N 446.624 4.982 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)C1 1509033710 DTINDFUJLBAJCA-FQEVSTJZSA-N 448.537 4.573 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCS2)c1 1510704464 GERPEJSWQNKAGG-RBUKOAKNSA-N 427.618 4.923 30 10 IJEE C#CCN(C(=O)CSCc1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1521819900 WAFCKCQUSQDBJN-IBGZPJMESA-N 448.357 4.807 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cn1c([N+](=O)[O-])cnc1C)c1ccc(C)c(C)c1 1523053401 HMUNVJGKJJIOBP-UHFFFAOYSA-N 434.496 4.515 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1525767005 GOXDITPCPHZFMF-VXKWHMMOSA-N 425.573 4.916 30 10 IJEE Cc1cc2c(Br)ccc(C(=O)Nc3ccc(Br)c(C#N)n3)c2o1 1526374022 AIBSXUVSMPPMBY-UHFFFAOYSA-N 435.075 4.785 30 10 IJEE C=CCn1c(SCC(=O)O[C@@H](CC)c2ccncc2)nnc1-c1ccc(Cl)cc1 1528450448 YCENSZAKMQSKOB-SFHVURJKSA-N 428.945 4.966 30 10 IJEE C=C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)c1ccccc1 1532387291 JWNCFSNFZDCAID-JXFKEZNVSA-N 433.957 4.845 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1ccc(COCc2ccccc2)cc1 1533789710 CXGKQCXOAAAPOI-UHFFFAOYSA-N 435.321 4.968 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2csc(I)c2)c1 1536873179 ZCFDLVVBULFFGK-UHFFFAOYSA-N 433.270 4.774 30 10 IJEE C=CCCC[C@H](C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 1537626720 IGVQSTHADUUMGX-GMAHTHKFSA-N 426.507 4.712 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)CCCN1C(=O)OC(C)(C)C 1537895064 LWLPJQFLPFUMEN-BILGYAHESA-N 440.584 4.853 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1538985755 CXKNJYWIMFTKSW-LJQANCHMSA-N 430.600 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCOC[C@H]1C 1538985989 HISIPIGIJXXLCY-ZIFCJYIRSA-N 438.572 4.943 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)c1nccs1 1539658995 FXYMYRUSVBIMIC-INIZCTEOSA-N 427.574 4.625 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnn(CC)c1 1539686194 MSIOLGRZYKFVEE-UHFFFAOYSA-N 429.572 4.782 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@H](C)C1 1539691412 ZHJATRDFCIULGE-GFCCVEGCSA-N 427.799 4.879 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1539736075 SBFOLWKEBBBQLT-RTWAWAEBSA-N 440.588 4.714 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1539783038 LSJLYHFANUYZTL-PBHICJAKSA-N 442.734 4.626 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1C[C@H](C)O[C@@H](C)C1 1540134003 MXEJLQFFFMPVMA-OALUTQOASA-N 437.563 4.819 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)c1ccc(F)cc1 1540171997 MAYFNOXVYVXGBC-LJQANCHMSA-N 430.531 4.638 30 10 IJEE Cc1ccoc1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1542098965 DBZGYHCIEPMYDR-INIZCTEOSA-N 425.920 4.761 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)C1 1543898736 BGGCBFXXHMYZLQ-YLJYHZDGSA-N 448.537 4.716 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 1545702928 UDXHYPKILROQIP-DLBZAZTESA-N 433.936 4.917 30 10 IJEE C#CC[C@@H](NC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1)C(=O)OC 1556971201 RYXJBPZILISYEG-IYTCMIDZSA-N 445.540 4.549 30 10 IJEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](Sc2ccc(Br)cc2)C1 1560021305 GZAHLQXZENUNGN-LIRRHRJNSA-N 430.371 4.514 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C2CC2)cc1 1562017845 FWGXMTNHNQRKMP-DEOSSOPVSA-N 427.566 4.521 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H](Cn3ccnc3)c3ccccc3)c2)s1 1564119902 HZSQNTOMPCJNQG-QFIPXVFZSA-N 427.533 4.724 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1)c1ccc(F)c(F)c1 1564598112 ZOSBCPFIXISQCH-WIYYLYMNSA-N 435.515 4.815 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 1565689473 DJOKFTWZTWZTCN-MRXNPFEDSA-N 430.379 4.824 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(OC)CCC(c4ccccc4)CC3)n[nH]2)c1C 1568733829 RXAHOKHOOGHMJM-UHFFFAOYSA-N 447.583 4.549 30 10 IJEE C#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC)c1ccc(Br)cc1 1583566401 VATSEAAHCPQWJN-KRWDZBQOSA-N 433.327 4.964 30 10 IJEE C=CCCn1cc(C(=O)N(Cc2cccs2)Cc2ccc(C)cc2Br)nn1 1585823309 WGEUFWCMLWRMJN-UHFFFAOYSA-N 445.386 4.829 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1587383120 ORNMEEMXZGOKJD-HNNXBMFYSA-N 434.323 4.796 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1587693222 IMVZGMGEOMPRDZ-DEOSSOPVSA-N 444.528 4.732 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1587769865 PLFUNRCVTPQPMU-HSZRJFAPSA-N 426.580 4.759 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 1587877367 PZZDAJLITFTBPB-ONTIZHBOSA-N 443.632 4.509 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCOC1CCCCCC1 1587957791 JYZQZIYETPLPPJ-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@](C)(O)c1cc(C)oc1C 1589150025 BQKNYXATMVYZIM-XCRWMPKNSA-N 446.595 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1Cc1cc(C(CC)CC)no1 1589233421 IRVLOWXPWXZRHJ-AREMUKBSSA-N 447.583 4.832 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)cs1 1589504642 IQCBIMTZAOPHSJ-UNMCSNQZSA-N 433.581 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCCCCC1 1589625375 CVZPUVDFTGOQEL-UHFFFAOYSA-N 446.599 4.688 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1593677582 DGYWINWFSWFNQY-CZUORRHYSA-N 446.926 4.956 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1593711039 BTEMVPPBYZLNFT-UHFFFAOYSA-N 435.572 4.829 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccnc(C(F)(F)F)c2)CC1 1594102763 ZSSNSPFDOOCWCL-UHFFFAOYSA-N 431.437 4.627 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1594581781 BFDOHIVHWQCSOZ-QGZVFWFLSA-N 433.959 4.589 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1595134220 VMXAOZDMEDXPDB-GOSISDBHSA-N 445.583 4.722 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1595191113 NMPPJLVHYMPTIT-GOSISDBHSA-N 425.577 4.599 30 10 IJEE C[C@@]1(c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)COC(=O)N1 1598417184 GGHDSPPONZSTMY-DEOSSOPVSA-N 431.423 4.697 30 10 IJEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)C1CCCCC1 1603469343 XNDQGVWSQYWXRZ-UHFFFAOYSA-N 444.984 4.857 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)C(C)(C)C)nc2scc(-c3ccccc3)c2c1=O 1613283372 DDHXIQHMXJJSBV-KRWDZBQOSA-N 428.579 4.991 30 10 IJEE COC(=O)c1cc2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc2s1 1616565753 BCSRHZMBLZPCMT-UHFFFAOYSA-N 432.457 4.984 30 10 IJEE CCC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1=O 1625291947 GDJRLDCDUXSVLS-NVXWUHKLSA-N 425.916 4.980 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 1626050999 ZAAVCODFALTPMZ-HXUWFJFHSA-N 446.979 4.504 30 10 IJEE COc1cc(NC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c(F)cc1C#N 1626517760 DSGKVOVOBIUVRM-MRXNPFEDSA-N 447.308 4.577 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 1630227651 LJYFVNUNQAZNGT-AWEZNQCLSA-N 439.364 4.832 30 10 IJEE C#C[C@@H](NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1636312793 RZONWESXKXOAGG-AUSIDOKSSA-N 430.907 4.710 30 10 IJEE C=CCn1c(S[C@@H]([C@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CCCCC3 1640569097 UJOJRPNVZXFEBG-LRDDRELGSA-N 444.544 4.972 30 10 IJEE CCOc1ccc(-n2c(Sc3cc(C#N)cnn3)nnc2-c2cccc(Cl)c2)cc1 1642012274 CLYLDZUURLUFQY-UHFFFAOYSA-N 434.912 4.799 30 10 IJEE C[C@@H](Cc1c(F)cccc1F)NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1642684927 HZTZJZQLRDJMNN-ZWKOTPCHSA-N 433.502 4.901 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](Sc3n[nH]c(-c4cc(Cl)cc(Cl)c4)n3)C2=O)cc1 1643727677 FFPQRXVHJIGUGG-QGZVFWFLSA-N 444.347 4.938 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(C)c1-c1cccc(OC)c1 1648287972 YZUXYQNTEZUBMJ-GOSISDBHSA-N 428.533 4.582 30 10 IJEE Cc1ccccc1[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[C@H](C)CO1 1657356433 HVAIBLJMITXWPM-KOSHJBKYSA-N 434.584 4.801 30 10 IJEE COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)cc2Cl)cc1OC 1666819792 FPXYCOPCMGWVOY-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)c2ccccc2Cl)cc1 1667423276 GCRMADSUPWVACB-NRFANRHFSA-N 447.343 4.942 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1667558477 CJRTYLOHPZDOTE-INIZCTEOSA-N 432.320 4.864 30 10 IJEE CC#CCCNC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1681515657 KRDWSAYOTMHMAC-UHFFFAOYSA-N 430.379 4.823 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 1681576979 IRYMOFISLXNUIW-KRWDZBQOSA-N 426.141 4.972 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@H]1CCCc2nc(CC)sc21)c1ccc(Br)cc1 1683507483 FDKDECGLFFNYAW-WBVHZDCISA-N 432.387 4.861 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(Br)cc1 1686919871 NPTHFEWYMLNQMO-PXNSSMCTSA-N 437.341 4.855 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1F 1686922199 CJBNUCQHAYHWMW-SJORKVTESA-N 429.706 4.835 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 1686924517 DVPRHTOKGBPALT-RBUKOAKNSA-N 425.342 4.634 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC(C)C)C1CCCC1 1689914815 FAPBSKFPAVQQCJ-UHFFFAOYSA-N 432.410 4.865 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC[C@H](C)N1CCCCC1 1690089728 KYCYPISDXFKYDO-NRFANRHFSA-N 437.607 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1Cc1sc(C)nc1C 1690214264 CHQGBCJCYMCRDA-XMMPIXPASA-N 435.597 4.533 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1690279631 VMUDNHOUPWNSHW-UHFFFAOYSA-N 427.911 4.757 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1690371115 WHASYFVNISSQIM-HSZRJFAPSA-N 433.556 4.671 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)[C@@H](C)CC)CC1 1690406575 LGKRBQZZUULRPC-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC(C)(C)C)CC1 1690473878 JXUNTSCRIDWVTH-UHFFFAOYSA-N 436.398 4.786 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1690579208 IMNVVNCWFNDBLR-UHFFFAOYSA-N 447.612 4.668 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)nc1 1690605304 FGDIKIGHWQYJNX-UHFFFAOYSA-N 434.931 4.573 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1690613244 ALWKTIPHUKYUQN-LJQANCHMSA-N 446.039 4.748 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CC[C@](C)(CC)O2)C1 1690690181 SPZYIQQDTCMGRT-STSQHVNTSA-N 448.970 4.867 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](COC)C1 1705510289 WXQWGONVIKAIMC-RBUKOAKNSA-N 426.630 4.798 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOCC(C)C 1705545577 GQNSOZFTPLOASV-UHFFFAOYSA-N 426.561 4.945 30 10 IJEE C=C(Cn1c([C@H]2CCCCO2)nnc1N1CCC=C(Br)C1)c1ccccc1 1705742951 JTVYLCRRYBELES-LJQANCHMSA-N 429.362 4.722 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2CCC[C@H]21)c1ccccc1 1705795208 FCAWEUAAMGSVGL-QZNHQXDQSA-N 435.616 4.935 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC(C)(C)[C@H]1C 1705826287 AAHMWQCLPMHWON-GOSISDBHSA-N 444.645 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC1(COC)CCC1 1705836171 IJSLISASFXADKG-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1CCCCO1)C1CC1 1705851416 GPNVKRJTNAFBLZ-QGZVFWFLSA-N 449.368 4.961 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CC1(SC)CC1 1705857590 XQJAEUODIFYKEK-HXUWFJFHSA-N 428.602 4.617 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCOCC1)C(C)C 1705867191 JFLZVRMXOKYEDS-QFIPXVFZSA-N 444.023 4.524 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(C)C 1711641797 BPCMOAYINFANQN-IWFBPKFRSA-N 437.588 4.773 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C1CCCC1 1722319909 QRVXMQFVGXSJGV-UHFFFAOYSA-N 443.636 4.965 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2nccs2)C1 1722326185 FTEPWYBBBAYQGP-KRWDZBQOSA-N 448.379 4.700 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1722479013 DWHUSLMMCOYKKH-GHTZIAJQSA-N 428.378 4.859 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC1CCCC1 1722498476 APBNXHWJKRHBJA-WMZHIEFXSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[S@](=O)CC 1722506508 SGWSSZWXRGCOLO-SSEXGKCCSA-N 443.642 4.548 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1722507362 ICAGFYMTEHMGRI-MZTRBVECSA-N 446.542 4.977 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(c2ccccc2OC)CCC1 1722514915 HCIHVZYQEDLWIB-UHFFFAOYSA-N 448.615 4.673 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1722537393 NOZKZAKVONMNEG-KKSFZXQISA-N 432.515 4.514 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722602446 AWYJISGWWGUDDF-UZLBHIALSA-N 447.505 4.949 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722607576 XLQPQJKDXVHUDS-GOSISDBHSA-N 437.544 4.761 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1722646865 MSBGYBGUXGEMTN-FCGDIQPGSA-N 428.552 4.916 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@H](C)c1nc(C)cs1 1722675730 QOWKGFJDQVDGIK-KRWDZBQOSA-N 434.569 4.737 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1723358702 FOBRDXBGLUMLIW-UGKGYDQZSA-N 449.521 4.783 30 10 IJEE Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccoc2C)n1 1724515189 IDAOTECNFXETAP-UHFFFAOYSA-N 426.524 4.691 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1740539061 AMFQTHQYKIZJKS-RBUKOAKNSA-N 439.604 4.611 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCc1nc2c(s1)CCCC2 1740558818 XYKAJQIPVPBSPU-LJQANCHMSA-N 449.624 4.510 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1740583162 VUDIQCICTWRMCN-SFHVURJKSA-N 442.972 4.660 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740589103 OQPVUTPPOARXAV-FQEVSTJZSA-N 433.556 4.797 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1 1740724165 YHBZLDZYCDBNCR-MRXNPFEDSA-N 439.075 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCC1(F)F 1740735355 ZQCWYJQNIJKLQT-WZONZLPQSA-N 444.526 4.683 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740844959 ZHHCXKDHTAFVNP-FQEVSTJZSA-N 434.588 4.674 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1740860419 DJWBHUBAWMAUBU-SFHVURJKSA-N 428.577 4.712 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCCC1(C)C)C1CC1 1740913480 NMRXBNPJJUNSLX-XMMPIXPASA-N 426.630 4.975 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)O 1740922526 KGWAUZWJKXTOJV-UHFFFAOYSA-N 434.512 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(C)cc1 1740923010 BGWYYEBYVNYQTQ-HXUWFJFHSA-N 438.597 4.814 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1Cc1cnc(C)s1 1740936771 ILOPHRNSVUAERO-UHFFFAOYSA-N 425.583 4.572 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCc1ccccc1C(F)(F)F 1740939263 SZZXXRMMWGVXDM-UHFFFAOYSA-N 434.462 4.747 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@H]1CCO[C@@H](C)C1 1740939581 ZCXYNQUZAZABIG-SFTDATJTSA-N 449.599 4.646 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2ccncc2)C1 1740975841 QMXLJCOYGLQMAG-QHCPKHFHSA-N 431.584 4.662 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1748751383 VSKCWBLWVMLRBC-NJYVYQBISA-N 443.636 4.821 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1ccc(Cl)s1 1748907465 KSWTXNIWYYYOLP-HNNXBMFYSA-N 432.952 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1749119405 RMRYSJAQIDIJTA-SQAAOVBZSA-N 430.618 4.801 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(C)s1 1749122496 WVISDZJWYJAAFC-IRLDBZIGSA-N 433.581 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1749129233 BRDRMIKTNNKREV-VLHNPEIBSA-N 438.616 4.814 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1749225217 CEQVPRHBRSBAFN-VJBMBRPKSA-N 440.588 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1749356213 YPSDADKNFGETEL-OAQYLSRUSA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1749367659 YETCBMORCRAGTB-UHFFFAOYSA-N 426.580 4.861 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CC1(N(C)C)CCC1 1749587108 IHZANSYFVKTAJT-UHFFFAOYSA-N 439.991 4.911 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(N(CC)CC)CC1 1749616321 YVDQCEIBVZPZPR-UHFFFAOYSA-N 432.616 4.849 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1749658566 MCRCJWWCZXHREJ-OAQYLSRUSA-N 435.616 4.704 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC2CCCC2)c1 1750381842 HNXISHITBABSQS-IBGZPJMESA-N 433.478 4.555 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C2CC2)cs1 1760122269 HZYKFGAIGQSJLS-QGZVFWFLSA-N 449.624 4.995 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C1CCCCC1)N(C)C 1760164761 ZIBFCAIPVGVDFV-FYYLOGMGSA-N 437.632 4.615 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(CN(C)CC)c1 1760173080 JBCHSXJVUHJJNX-LJQANCHMSA-N 447.652 4.701 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccc(Cl)cc1 1760173096 JMHMEGCLZAOTDN-MRXNPFEDSA-N 441.000 4.933 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1760227442 FHQHUCRBHWRDLE-WIOPSUGQSA-N 443.595 4.793 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCC=CO1 1760290080 VVTFFRBRRYDNGZ-UWUFEASWSA-N 436.556 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCN(C)C1CCCCC1 1760292616 FPHOJUVITZQULH-XMMPIXPASA-N 426.008 4.855 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C2CCC1(C)CC2 1760300698 JVNBUPAKNIOSME-PCVOSPCESA-N 435.341 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F 1760322447 SPRNQBLTBUVYQJ-QAPCUYQASA-N 428.886 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(Cc1cccc(F)c1)C(C)C 1760334681 KWQKBMHPJGQCSV-XPNTWCBSSA-N 442.579 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1760340953 UEDLUXCHRIRBHW-QPPBQGQZSA-N 437.588 4.582 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1760385059 KUSGDTVFAOMAFS-GCJKJVERSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC2CC2)CC1 1760415118 OPAGGWWPSASMHY-UHFFFAOYSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@@H](C)c2ccc(F)cc2)nnc1[C@]1(OCC)CCOC1 1760416302 ZSJPILZZJATHNM-UUOWRZLLSA-N 430.568 4.869 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCSCC1)c1ccccc1 1760420724 UUZLKJCYBAISCX-LJQANCHMSA-N 425.627 4.547 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1nccs1 1760479403 NQPTXNVEHGAHET-QGZVFWFLSA-N 429.553 4.598 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccnc1)C(C)C 1760480726 CYPVPHGLZKVXGQ-DEOSSOPVSA-N 441.583 4.706 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CC(F)(F)C1(OC)CCOCC1 1760481391 VFJDAJVFJAPGDP-UHFFFAOYSA-N 446.542 4.569 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CSCCS1 1760501863 FZARDKFBPMXDJO-FQEVSTJZSA-N 446.686 4.730 30 10 IJEE O=C(O)c1ccc(N=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 1772728087 MXFYVVVUXWIUGS-NRFANRHFSA-N 434.492 4.898 30 10 IJEE COc1ccc(C=NN=C2S/C(=C/c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 1772758011 NSVAZYONSXKEMP-HWVQBVCISA-N 447.516 4.803 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1C(=O)O 1857890217 MIUQTDQDJOOXBB-UHFFFAOYSA-N 428.529 4.541 30 10 IJEE Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)c(C)c1 1858841265 HPDSBFDNMNDPIM-SFHVURJKSA-N 443.507 4.929 30 10 IJEE COc1cccc2c(C)cc(N3CCN(c4nccc(-c5ccccc5)c4C#N)CC3)nc12 1859819620 IOBLTGHYJQVSIA-UHFFFAOYSA-N 435.531 4.812 30 10 IJEE CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1 1860133208 OAEFTKOHQDHKAP-KRWDZBQOSA-N 429.476 4.615 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)Cc4cccs4)cc3)CC2)c1 1860684077 IPYFLKWQNBORMU-UHFFFAOYSA-N 428.513 4.697 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862502034 PNFNABROVNVIIY-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862510971 HRUFMZHVXTUKGN-QFIPXVFZSA-N 439.483 4.671 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862512851 WIIDHFFVBDTCJX-QFIPXVFZSA-N 441.499 4.918 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc(O)c1 1862571086 HGUMLPPHIBETCQ-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2Cl)cc1 1862689153 JMKFAODQJHQICR-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OCCCC)cc1 1862743773 QZLQWXPSEBEAFP-OAQYLSRUSA-N 436.464 4.538 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(F)cc2F)C1=O 1863661363 KVPMQSHBNOADSG-UHFFFAOYSA-N 449.586 4.727 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccccc1C#N 1866659819 LAPKQHPNPUGJQD-NRFANRHFSA-N 448.498 4.517 30 10 IJEE CCCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 1867046722 ATXWVXUNPGTGPF-JOCHJYFZSA-N 446.576 4.928 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OC)cc2)cc1 1870141063 XYXSJNJYXDFACB-CXUHLZMHSA-N 445.523 4.759 30 10 IJEE N#Cc1nnn(-c2ccc(OC(F)(F)F)cc2)c1NC(=O)c1ccccc1-c1ccccc1 1870146744 GOEGOBWOHBOQRL-UHFFFAOYSA-N 449.392 4.957 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870162199 OKEUZXVEORZRGT-HUUCEWRRSA-N 431.805 4.553 30 10 IJEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2Cc2cccnc2)c(C#N)c(C)c1C 1870262407 IZHLLYKFYTULSC-UHFFFAOYSA-N 448.592 4.811 30 10 IJEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1871008923 VGENINQZUROYCW-UHFFFAOYSA-N 431.580 4.963 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)cc1 1871417314 IAGGVWFDEZTBRV-FMCGGJTJSA-N 425.440 4.849 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 1871441890 OSEWATMAKBTIPX-QRVIBDJDSA-N 445.446 4.970 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872083342 CLRAAPYODKRDEW-JOCHJYFZSA-N 432.561 4.762 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)C1CC1 1872281141 JCAOMNZSDWWRFI-DEOSSOPVSA-N 440.609 4.755 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872374590 RNPQGARONAYYDI-FQEVSTJZSA-N 436.524 4.566 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccccc2Cl)cs1 1872764395 LVCSIODOODCLCT-CQSZACIVSA-N 428.813 4.770 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3cccnc3)ncnc21 1873609214 PGDACJRDPPJMPQ-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873617107 YMIJNJNHUUQGNE-UHFFFAOYSA-N 429.499 4.972 30 10 IJEE COc1ccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SC)cc1OC 1874212464 OAQRDBKGMDTAMI-OEAKJJBVSA-N 446.960 4.564 30 10 IJEE COc1cc(/C=N/n2c(CCc3ccccc3Cl)nnc2SC)cc(Cl)c1O 1874276168 YAHZFGHDIWMZMO-SSDVNMTOSA-N 437.352 4.688 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874279998 YKBTXRYZOWSSAC-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE CCOc1c(/C=N/n2c(COc3c(C)cccc3C)nnc2SCC)cccc1OC 1874299746 QVBDKUFYSMTQLI-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(OC)c(O)c1 1874327300 HOAZUAOZNPTNEY-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(CCc2ccccc2)nnc1SCCCO 1874405932 WSYDWPYXNGCOPI-NLRVBDNBSA-N 446.576 4.582 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1F)Nc1ccc(F)cc1 1874426619 QQVTZYNVUQTGPV-VULFUBBASA-N 449.486 4.836 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)c1OC 1874460004 HAVRKVRUOVTYHW-YSURURNPSA-N 440.422 4.628 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(F)cc1 1874478188 SUPDQHUQJIIKFO-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)c(OC)c1 1874483212 KCVABXSRDDCRJA-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE CCCOc1c(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)cccc1OC 1874565835 XSOMCDWXISKBSO-PCLIKHOPSA-N 432.549 4.990 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)CCOc1ccccc1 1874698383 TXSIAASUHXUXBI-NTUHNPAUSA-N 447.443 4.874 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 1874698473 YKLJZBQSHIISOY-ACCUITESSA-N 447.443 4.656 30 10 IJEE Cc1c(C(=O)Oc2cccc(/C=C/C(=O)c3ccccc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1874700195 GDWYHZCDOJCJMN-ZHACJKMWSA-N 432.388 4.927 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCCOc3ccccc3)n21 1875031743 YONNRIAMXGIUJG-IBGZPJMESA-N 430.618 4.999 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)c1 1875104498 ZYBUBMPLBVINIC-ACCUITESSA-N 432.472 4.974 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117103 INQNRACCFAZYIK-VGOFMYFVSA-N 432.388 4.547 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)c1 1875120116 CCOIULUXIPNPSG-ACCUITESSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c([N+](=O)[O-])c2)c2ccccc12 1875192629 UYEJHBUMPKUCSB-NOENIZQJSA-N 447.443 4.737 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCN(CC)CC1)n2CC(C)C 1875210021 IJWCFSKYSXSYAR-UHFFFAOYSA-N 442.652 4.637 30 10 IJEE CN(CC1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1)c1ncccc1C#N 1890111106 ISFLGZSZVSLEHM-UHFFFAOYSA-N 431.367 4.568 30 10 IJEE O=C(CCc1ccc(C(F)(F)F)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 1891051568 ISXUVHWICLYXKC-UHFFFAOYSA-N 429.360 4.855 30 10 IJEE C#Cc1ccccc1CNC(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1901484042 VDZDNYDDYKQLCG-AREMUKBSSA-N 438.527 4.601 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)c1c(Br)cncc1Br 1959986363 WJSDJUQPEKUGGT-KRWDZBQOSA-N 426.152 4.640 30 10 IJEE CC(C)(C)OC(=O)N(CCCC(=O)NCc1ccc(C#N)c(F)c1)Cc1ccccc1 2010515006 GTEYEFMVOBYYIL-UHFFFAOYSA-N 425.504 4.531 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](COc1c(N)ccc(F)c1C#N)C1CC1 2021712307 BGBLBDUNZPIOLT-OAQYLSRUSA-N 425.504 4.874 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)cc(Cl)c1O 2040453915 ADZOXMWHBSMRTF-UHFFFAOYSA-N 432.923 4.621 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCN(Cc2ccccc2)C2(CC2)C1 2042184279 ANKAFJLBSLQRCY-IAPPQJPRSA-N 434.624 4.687 30 10 IJEE Cc1cc(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2060621151 KOCCEXQMHZGVGU-UHFFFAOYSA-N 430.354 4.506 30 10 IJEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)c(O)c1 2080042757 KZGGQKPARZNXHQ-GOSISDBHSA-N 434.334 4.825 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1F 2089284627 VYOJWQFCFBGRAH-ROUUACIJSA-N 427.358 4.936 30 10 IJEE C=CCC1([C@H](NC)c2c(F)cc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2116828781 KBHZHRWDGZJNGG-QGZVFWFLSA-N 427.358 4.970 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCCC 2126707085 YZKNICOWAVEGQZ-CVEARBPZSA-N 433.337 4.717 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)c(F)c1 2142155819 LTWPGBBQLKXOMM-WBVHZDCISA-N 431.321 4.685 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2159126471 VKANUCUHCBQQBP-CABCVRRESA-N 441.414 4.643 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(c2ccc(C#N)cc2Br)C1 2174813868 AYUHYHCGFLXAGV-WMZOPIPTSA-N 434.378 4.937 30 10 IJEE C[C@H]1[C@@H](C(F)(F)F)N(c2cc(Br)ccc2C#N)CCN1C(=O)OC(C)(C)C 2174816319 CFFDVYPTIYYRLD-NHYWBVRUSA-N 448.283 4.697 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2200686809 NOVIZFJMCNTLJW-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2235722646 KBAZPVMBSXFAHD-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(CCF)CCCN1C(=O)OC(C)(C)C 2235723825 FHBOUNFLYYYJBZ-NQIIRXRSSA-N 439.369 4.518 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CCC1 2243784839 ZNZGDIBEVOOQAQ-UHFFFAOYSA-N 435.487 4.859 30 10 IJEE C#CC[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2244546116 HDNBPFAUTWCZBU-KYTVRQNUSA-N 444.575 4.954 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CCC3)c(Cl)cc2F)OC1(C)C 2258089108 AODDYUGJPJUVIG-UHFFFAOYSA-N 443.755 4.973 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)c2C1 2267006177 RHIMQRLZEMOQAP-UHFFFAOYSA-N 442.365 4.892 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2267513195 UCNJILOTVYIUME-KRWDZBQOSA-N 443.343 4.951 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](N)CC#CC1CCCC1 2289846874 DKTLDIKRXYOSEG-VQTJNVASSA-N 435.406 4.796 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@@H](O)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296224485 KTXRYQYDWCEUHD-AVRDEDQJSA-N 436.390 4.835 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CN(CC1CCCC1)C(=O)OC(C)(C)C 2296230166 QPHVLTDRGNOINU-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296231810 IAINARUSMQUWNY-UHOSZYNNSA-N 432.358 4.938 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(CC)CCCN1C(=O)OC(C)(C)C 2296311493 XNAYUJMMBYHVOI-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE SC[C@@H](COc1cc(Br)cc(I)c1)C1CCC1 2301014948 JLIVUTURZMWVHZ-SNVBAGLBSA-N 427.145 4.779 30 10 IJEE C=CCN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=Nc1nc(-c2ccccc2)cs1 2314543515 GAEHAIFKPZWAOL-UHFFFAOYSA-N 444.541 4.922 30 10 IJEE C[C@@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317355031 UAOOKLDKHZTTPK-KBXJCHCYSA-N 429.370 4.536 30 10 IJEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)C(=Cc1ccccn1)O2 2322931764 SJLIFJKDADWBNJ-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)CC(C)C)cc(C)c3C2=O)cc(OC)c1OC 2323766868 KGFJCPMHWMZDNH-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)NCCC 2323774954 FEVLXIGFYQAOKP-UHFFFAOYSA-N 427.928 4.878 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)OCC(C)C 2323790053 BUTUBUYRBIZSMW-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)CCc4cccs4)cc(C)c3C2=O)cc1 2323983534 YCJNYEYOOKVNLI-UHFFFAOYSA-N 448.496 4.998 30 10 IJEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1cc(OC)ccc1OC)C2=O 2324097230 DCLQPLJHDUXPPW-UHFFFAOYSA-N 425.525 4.956 30 10 IJEE O=C(C=Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325701163 GKLQDMXCAQIHKC-UHFFFAOYSA-N 432.276 4.853 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 2326396483 JIYHTAXEOYWQRF-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE COc1cccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)c1OC 2326567504 GBIBKCQMARUNKO-UHFFFAOYSA-N 432.549 4.838 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2327840059 VRXGNXWZBYXFJY-LGFFLQIISA-N 448.568 4.900 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2N=Cc2ccc(Cl)cc2Cl)cc1C 2328977632 NOXUPLNMVXJVNA-UHFFFAOYSA-N 449.407 4.954 30 10 IJEE CCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SCC)cc1OCC 2329655912 TUVHRUWLESRXTK-UHFFFAOYSA-N 430.599 4.916 30 10 IJEE CCCOc1c(C=Nn2c(CCc3cccs3)nnc2SCC)cccc1OC 2329655913 UBWBSEXBCYZNAY-UHFFFAOYSA-N 430.599 4.916 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccco1 2330126909 TVBLKYWFUJNCLC-GOSISDBHSA-N 439.585 4.646 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCO)nnc2[C@@H](C)c2ccccc2)cc1 2330146517 RAKUXLXIFHDUCT-IBGZPJMESA-N 438.597 4.966 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2[C@@H]2CCCO2)cc1 2330895934 HXIILUIHSPQEET-NRFANRHFSA-N 449.580 4.668 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1O 2331154859 ULJQQWKDMKGWJE-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(CCOC)nnc2SCc2ccc(C)cc2)cc1 2331238690 MSMBPKHUBOXOOM-UHFFFAOYSA-N 437.613 4.796 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cc(C)ccc1O 2331327769 SOOCNDSBLHTONQ-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2F)c1 2331376666 FIGQTNJRUKSAFT-UHFFFAOYSA-N 443.523 4.775 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2)c1 2331451047 HGMJAGCJPRLGLM-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1cc(C=NNc2oc(-c3ccc(Br)o3)nc2C#N)ccc1OC(C)C 2331936601 UFWOORXAHQHXJS-UHFFFAOYSA-N 445.273 4.811 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339587389 UHAKLXARLMMKBJ-DEOSSOPVSA-N 443.397 4.832 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OCCC 9697055 XVDBSQQWQAIAEE-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE COc1cccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)c1 20905435 WVIAATOWAOWBPY-BUVRLJJBSA-N 446.536 4.533 30 10 IJEE C#CCOc1ccc(/C=C2/SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl 33449121 VUHPMEDQLCFEBK-XSFVSMFZSA-N 427.909 4.776 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)C(=O)C1CCCC1 36045016 UPCNPLUVZBJMIY-UHFFFAOYSA-N 442.563 4.991 30 10 IJEE CN/C(=N\c1ccc(C)c(C)c1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 105534779 MJPQLCYESNXVGK-QGZVFWFLSA-N 436.364 4.882 30 10 IJEE CCCCCCCCCOc1ccc(/C=N\n2c(S)nnc(C)c2=O)cc1OCC 169882270 MDGVPJQMHWLYTD-KQWNVCNZSA-N 432.590 4.646 30 10 IJEE CCOc1cc(/C=N\n2c(COc3ccccc3)nnc2SC)cc(Cl)c1OCC 169916464 VPXFXUOAYXIUGS-QRVIBDJDSA-N 446.960 4.912 30 10 IJEE COc1cc([C@@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 169936629 NJURJSBAXWNARS-QFIPXVFZSA-N 442.968 4.796 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccc(O)cc2)cc1 169959149 QUFJHSYWBFWSOH-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccncc2)cc1 170020208 NAIIIFLSGROLDS-XMMPIXPASA-N 428.488 4.582 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(C(C)C)cc1 170066302 QUOJFDPQXPWMCV-AUSIDOKSSA-N 435.520 4.576 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1 170114860 MZVITRHGFQUXBS-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1cccc(OC)c1 170120577 NUWRSXLJGLVNCI-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccncc1 170210391 ISUHFGJZKIYMPI-QGZVFWFLSA-N 435.307 4.775 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1Cl 170241115 CULIMDCBAHABLP-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272778 QJBZJDTWPUAWDJ-JOCHJYFZSA-N 439.427 4.558 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccnc1)c1cccs1 170353931 UKBIKMWJEYMMGN-QGZVFWFLSA-N 446.406 4.825 30 10 IJEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N/N=C/c2ccccc2)N1Cc1ccco1 210514647 TXQREQVJSCJSGU-WLAAGDGTSA-N 432.461 4.694 30 10 IJEE N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 301364865 RUJYMCSFMQJZSG-UHFFFAOYSA-N 433.895 4.630 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1C(F)(F)F 435163337 YDXDPCZXHARDOG-UHFFFAOYSA-N 433.455 4.627 30 10 IJEE C[C@H](Cc1ccccc1F)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 507746790 FQEZWLKVLRUHRE-CYBMUJFWSA-N 427.530 4.594 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 508460835 FVNFUYHALRZPSH-CQSZACIVSA-N 433.343 4.588 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](CC)c2nccs2)nnc1-c1ccc(Cl)cc1 523093233 PKZJFKHNYRMSPA-HNNXBMFYSA-N 433.990 4.601 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1OC 526605982 APYCOMXSGHJXBC-JOCHJYFZSA-N 430.435 4.772 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccc2OC)c1 526607797 WQINEBKSOZZMJK-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(Cl)cc2Cl)cc1 526827269 MNDYEEBEJQZLHS-YVNNLAQVSA-N 435.336 4.854 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(CCC(F)(F)F)c1 544226494 HYIDGHDBKFGCRU-UHFFFAOYSA-N 434.231 4.566 30 10 IJEE COc1cccc(-c2ccc(CNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)c1 552254456 FOPOAXJSHPBXLX-UHFFFAOYSA-N 443.522 4.906 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)CC2)c(F)c1 560765414 SHPNQEKLLAAXOY-MSOLQXFVSA-N 448.416 4.769 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)c3ccccc3OC)C2)c1 585997204 YSOVJUGTSUWESL-OAQYLSRUSA-N 435.568 4.567 30 10 IJEE CCOc1ccc(CCN(CCCC#N)S(=O)(=O)c2ccc(CC)cc2)cc1OCC 586131822 IOUCSVAGTNXRHY-UHFFFAOYSA-N 444.597 4.584 30 10 IJEE C[C@]1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCN1C(=O)c1ccccc1 609725076 CBIBDEIHGGBLFB-AREMUKBSSA-N 425.488 4.984 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1 698441798 LLQLKZHZANXEJN-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 710803432 VLJLGLFCIWKSDN-PFBJBMPXSA-N 434.624 4.543 30 10 IJEE N#Cc1cncc(CNc2c(Br)cc(Br)cc2Br)c1 721560311 RJQWKUKSQJQCCM-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)Nc2ccc(C)cc2)cc1 732179142 BUQWTMQFBVRGAP-UHFFFAOYSA-O 447.584 4.861 30 10 IJEE Cc1c(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2)oc2ccccc12 734299114 FHEJOCVWKRHPOS-NRFANRHFSA-N 433.533 4.542 30 10 IJEE COc1ccc(C(=O)/C=C\c2cc(Br)c(OC)s2)cc1Cn1cccn1 746519574 DDUQKXJOTYFPRK-WAYWQWQTSA-N 433.327 4.669 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN(C)C[C@@H](C)c2nccs2)c1=S 784036736 GTAGIPZXOHKHKV-QGZVFWFLSA-N 429.615 4.637 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2CC1 789820033 JRHHNYKELYIWRI-QHCPKHFHSA-N 433.552 4.797 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@H]1C 916564547 ARAUSMXSUHUASL-HIFRSBDPSA-N 448.972 4.842 30 10 IJEE C#CCC1(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CCCCC1 1124971298 WZCBSWYSBKMPLX-UHFFFAOYSA-N 429.608 4.917 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)cc(OC)c1OC 1125288736 QSWRXKQAPKXTEJ-HNNXBMFYSA-N 432.358 4.946 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 1126234785 XMHVKCAVERAVQD-UHFFFAOYSA-N 440.341 4.746 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C#N)s1 1127617145 HWFSTRYKHTVXPX-UHFFFAOYSA-N 445.610 4.734 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)COc2cccc(NC(=O)c3ccco3)c2)C(F)(F)F)cc1 1128867434 VXANRRMPVFIHOF-OAQYLSRUSA-N 443.377 4.739 30 10 IJEE C#Cc1ccc(NC(=O)c2cccn2-c2cccc(I)c2)c(Cl)c1 1134652715 LJBQDRFYZFXNDY-UHFFFAOYSA-N 446.675 4.969 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)COc3ccc(C(C)(C)C)cc3)n[nH]2)c1C 1136367534 SWXMYJHQDXUWSF-INIZCTEOSA-N 435.572 4.571 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC)c1cccc(C(F)(F)F)c1 1136563076 OXAMDFHDCXOZJR-ZWKOTPCHSA-N 426.479 4.970 30 10 IJEE C#CCN(C(=O)c1coc2cc(O)ccc12)[C@H]1CCOc2ccc(Br)cc21 1146862180 OGUUYQFBXQDMBA-SFHVURJKSA-N 426.266 4.500 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1147166420 PZWOCKAHDCXZQP-RXVVDRJESA-N 442.581 4.669 30 10 IJEE CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 1162113381 FOFMEPFQKOUEFM-JOCHJYFZSA-N 431.565 4.548 30 10 IJEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 1162147295 IBTGYYPAERABAE-SJLPKXTDSA-N 438.499 4.930 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(Cl)c1 1179654844 ALPROOLRZBPBIY-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 1194197919 YMCBOOWHCUFVIM-QGZVFWFLSA-N 439.331 4.733 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CCCC1(C)C 1215504044 IJQDXOPKADDBKO-QFIPXVFZSA-N 441.597 4.764 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 1220879412 AZMYGITYCIGBRM-XFAGBWLFSA-N 443.538 4.691 30 10 IJEE C#C[C@H](CC)NC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1251644805 AXMHBMPEVPKFGD-OAQYLSRUSA-N 430.379 4.822 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)C1 1252682401 DAEWEFIZIKWDNX-PZJWPPBQSA-N 425.573 4.578 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1286347005 FPKPBONHXGXZGJ-FQEVSTJZSA-N 443.389 4.690 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286631637 SJLFTULGKGYEDO-SFHVURJKSA-N 427.980 4.887 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1286634922 YXQYNPWMPPUWSE-GOSISDBHSA-N 433.940 4.855 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286635841 CUXWGNZCFHDPPL-JKSUJKDBSA-N 440.444 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(C#N)CC1 1286675629 AOGUDUQSCRYVKW-UHFFFAOYSA-N 425.602 4.921 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)CC[C@H]1C)c1ccccc1 1286681872 VWMPJTWUCUXEAE-VEEZHQPXSA-N 438.616 4.987 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286684581 LFYGIZKHAMRSML-LJQANCHMSA-N 426.561 4.814 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286685584 XCFSATSQVJOYPR-SFTDATJTSA-N 440.588 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC1CC(OCC)C1 1286718027 UVHUSWPQEHQAOD-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCC1 1286747207 FJBGVEYZJFIOJD-UHFFFAOYSA-N 432.597 4.557 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1294557230 HUPXDVGSZRMEEN-GOSISDBHSA-N 440.592 4.699 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1300371912 ZTZGROPFFSXALM-MRXNPFEDSA-N 427.390 4.920 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1300385456 BBCFQBUBEMKTPE-QGZVFWFLSA-N 428.334 4.692 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1300421530 JQJPJGFTDWIUEC-KNQAVFIVSA-N 447.410 4.907 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCSC1 1300602039 NOUHLHFGNMBQAS-ROUUACIJSA-N 433.021 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1300912419 AZVUBOVYNRPWKG-QFIPXVFZSA-N 437.588 4.504 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 1301016954 DFCJUWGMYUAJSN-CVEARBPZSA-N 425.360 4.666 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1c(C)noc1C 1301027082 HNZQHGWFVWYPQO-UHFFFAOYSA-N 445.951 4.735 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1301128844 BBIINRPTJCQHQI-NRFANRHFSA-N 426.561 4.860 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1301159549 BCDRHPPPJGSHIA-FQEVSTJZSA-N 442.579 4.851 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301208128 OKYSSXFBLSBAFJ-JOCHJYFZSA-N 449.643 4.951 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1301245948 KIQFZNLJIFHFIO-VQTJNVASSA-N 445.007 4.834 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1301273398 RYYZNTDAFNQCLQ-UHFFFAOYSA-N 439.604 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCOCC1 1301364992 DRWFJLDPPLKNNU-NHCUHLMSSA-N 444.645 4.877 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1301367438 OHHVOJKFWUBIOX-HSZRJFAPSA-N 449.647 4.594 30 10 IJEE CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 1309110777 BBGBBHFHVHQXOM-UHFFFAOYSA-N 432.492 4.939 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2cc(OC)c(Br)cc2Br)cc1 1310666425 MEZBAJAEJWCJEP-UHFFFAOYSA-N 438.119 4.523 30 10 IJEE CSc1ccc([C@H](CNC(=O)N2CCC[C@H](C#N)C2)N2CCc3sccc3C2)cc1 1311451206 GLUFFNFUUQTQKK-UTKZUKDTSA-N 440.638 4.515 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@@H](C)C1 1314219262 COCZMCZNLSTEIG-TZIWHRDSSA-N 437.588 4.822 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2ccc(F)cc2)n1CC1CCC(F)(F)CC1 1316536269 FPSGFUOIUQTAHV-UHFFFAOYSA-N 431.506 4.964 30 10 IJEE C=CCn1c(-c2oc3ccccc3c2C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1338771917 XGKNQXUSVRBWKG-QFIPXVFZSA-N 430.508 4.772 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCc2nncn2CC1)c1ccc(C)c(C)c1 1352114889 YYTJZPNQMUEGSU-OAQYLSRUSA-N 430.552 4.646 30 10 IJEE C=C[C@H](CC(=O)N[C@@H](C(=O)OCC)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 1352806345 RYOWUQUKTOEXHO-KBMIEXCESA-N 449.526 4.709 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccc(C)c(C)c1 1353413377 QQDWDVWFPTVFQS-UHFFFAOYSA-N 449.938 4.863 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 1355028281 YFWIXQJIWPVWPG-LIRRHRJNSA-N 441.355 4.928 30 10 IJEE Cc1nnnn1-c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)ccc1F 1358056608 DDAZINQURBINQG-UHFFFAOYSA-N 448.845 4.680 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1358904316 BNEYFQJEMHQYCW-CTNGQTDRSA-N 440.563 4.614 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1358916561 PIIVVDRELKREFQ-XZOQPEGZSA-N 436.600 4.612 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1358922907 WEALYCDPYYMUCA-QFIPXVFZSA-N 446.473 4.634 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H](SC)C(C)(C)C 1358938407 AHKHJXZXHOLJRT-XLIONFOSSA-N 430.618 4.664 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@H]1C 1358972413 DEOUUCMCLLRWEC-APWZRJJASA-N 425.374 4.525 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](SC)C(C)(C)C 1359020632 KRTKUNVBRANMSP-SFHVURJKSA-N 439.000 4.601 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(C)CC1 1359074763 QNYOBHTZRAVRPY-MHECFPHRSA-N 427.593 4.532 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC[C@H](C)C1 1359084311 DFVOCCNQDMCNKP-ZDUSSCGKSA-N 425.321 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC(C)CC1 1359093117 KFHMDTCKCANVDK-LGFMMJKESA-N 439.560 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(OCC)c(OC)c2)nnc1C(C)(C)C 1359105150 KPQSHUQUFMIECQ-UGKGYDQZSA-N 442.604 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC(F)(F)CO1 1359107181 FHHMZKXIUOEWII-RTBURBONSA-N 434.531 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1csc(COC)n1 1359108744 BEFMXSDUAKWUJC-UHFFFAOYSA-N 435.956 4.791 30 10 IJEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1359117515 DLDPKOZHVFQHPY-IBGZPJMESA-N 442.604 4.566 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359119660 HQBALJOGWHAYRM-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1359119702 JWLPRIZMUBDLEU-GOSISDBHSA-N 428.577 4.712 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)c2nccs2)CC1 1359160377 SJTXEOMTDDFMAF-IRXDYDNUSA-N 427.549 4.974 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1359204563 UGQHWZGMUPUTCP-UHFFFAOYSA-N 443.661 4.992 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCNC(=O)c1cccs1 1359263631 HQPFHMLIRKYRII-UHFFFAOYSA-N 441.626 4.681 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCC(F)(F)CC1 1359269156 QLSCQBPAPSFQDH-UHFFFAOYSA-N 432.515 4.966 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2cc(C#N)c3ccccc3n2)cc1 1436180663 CPODRTNKJIQMGB-NRFANRHFSA-N 444.560 4.558 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)CCCN1C(=O)OC(C)(C)C 1436187536 BFIFHOPBUHGKSW-OAQYLSRUSA-N 433.961 4.990 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Br)cc1 1436651038 ILWULIYPQOZFHI-OAQYLSRUSA-N 433.305 4.806 30 10 IJEE C=CCCSCCNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 1437474625 SYEPNGYGSUEZHY-UHFFFAOYSA-N 439.290 4.632 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1 1454864839 BMNRAOVNAYOMJQ-UHFFFAOYSA-N 449.913 4.745 30 10 IJEE CC(=O)N[C@H](C(=O)Nc1ccccc1C#Cc1ccccc1)c1cccc(Br)c1 1457492308 PWRKPNMNMSJJLA-QHCPKHFHSA-N 447.332 4.665 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(SC)cc1 1459419042 NKGHCPDTORYFGJ-KRWDZBQOSA-N 440.378 4.738 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)s1 1460136791 FKCFRCJMZNISLC-MRXNPFEDSA-N 426.966 4.578 30 10 IJEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1Cc1ccc(C#N)cc1OC(F)F 1460273039 FIDXPRHXPBMKFC-MRXNPFEDSA-N 435.515 4.771 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCN(CC)C(=O)OC(C)(C)C 1464880930 MBRBWYSBTMZRDA-UHFFFAOYSA-N 430.467 4.647 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cccc(C(=O)OC)c1Br)c1ccc(F)c(F)c1 1466452044 SLZREQRWFKNLAB-QGZVFWFLSA-N 439.256 4.953 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2)c1ccc(F)c(F)c1 1467345183 FULHBSQCTTYAEA-HXUWFJFHSA-N 429.467 4.785 30 10 IJEE C#CC[C@H](NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)c1ccccc1 1469447520 DVXJMPBQOSLVKF-AVRDEDQJSA-N 440.385 4.602 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 1469492709 WBGVCJPBMVSFME-QZTJIDSGSA-N 425.495 4.801 30 10 IJEE C=C[C@@H](CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)c1ccccc1 1470089837 ZDOJHCIPXLMEIU-LXZKKBNFSA-N 427.180 4.701 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCCCc1ccccc1Br 1472963153 SVEUISJWPMNWDY-UHFFFAOYSA-N 449.462 4.980 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1cccc(F)c1 1474881602 FNAZBJDRRBLFGR-KRWDZBQOSA-N 425.323 4.526 30 10 IJEE CCCN([C@H]1C[C@H](OCC)C12CCCC2)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1474985270 GBOISUDIEWQHMY-OALUTQOASA-N 444.519 4.716 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccc(OC)c1)c1ccc(Br)cc1 1478895448 CPNCAPRXJVBHIW-GQWLDOHISA-N 427.342 4.925 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21)c1ccc(Br)cc1 1478895733 FVNILTJTZADHSB-DXBBTUNJSA-N 439.353 4.828 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1F 1478900027 JTBQIIBSMZKHBW-BLIXFSHQSA-N 449.954 4.586 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@@H](C)CC#N)C1 1493689151 HGUZANVMHWSEMZ-SFTDATJTSA-N 447.631 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(OC)nc1 1507526783 IFMHDIFZYAOOKZ-INIZCTEOSA-N 447.539 4.723 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1507555079 GAAJQTUHPCRWAK-HOTGVXAUSA-N 431.353 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOCCC=C 1507764352 LNYKZQHRDFJFTD-FDDCHVKYSA-N 428.964 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1oc(CCC)nc1C 1507822395 VHROPGKGXYPIAS-UHFFFAOYSA-N 432.572 4.981 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)Cc1ccc(Cl)s1 1507825224 SFBMXQIYZJSMQR-UHFFFAOYSA-N 448.976 4.898 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)(C)C 1507916853 HHABKVCZKBJGDE-SFHVURJKSA-N 449.640 4.671 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1508003023 QQNXAFSAGIFXKC-PKTZIBPZSA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC1CCN(CCC)CC1 1508009530 QZCOLFSYFMYVHT-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C)C1)C(C)C 1508011367 QKRPRORGJCZPFB-SIKLNZKXSA-N 444.023 4.522 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](C)C1)C(C)C 1508013783 QXKKRRCXGYSEBU-ZLNRFVROSA-N 429.653 4.845 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@H](C)C1 1508024790 LKWXVNYCEHRWIR-YKSBVNFPSA-N 432.616 4.811 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC2CCCCC2)CC1 1508052048 XUPKTYOPLXRFFU-IBGZPJMESA-N 444.023 4.960 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(Cl)ccn1 1508104624 JXAPIANUBHMFAD-UHFFFAOYSA-N 434.931 4.571 30 10 IJEE CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OCC2CC2)c1 1509281206 DCUHBLPENBAITH-UHFFFAOYSA-N 430.556 4.531 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 1515034861 DSVBPVNKBWQQAE-VVZHRXSXSA-N 449.551 4.695 30 10 IJEE C#CC[C@H](NC(=O)c1cccn1-c1cccc(I)c1)c1ccccc1 1519779614 WIYDMBPGPYJCLP-IBGZPJMESA-N 440.284 4.576 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)cc1 1523871634 SKQHTODPBBIWFU-UHFFFAOYSA-N 448.523 4.625 30 10 IJEE C=C[C@H](CC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1)c1ccccc1 1533929079 BDPCCNZSIFSZPN-SVMVAKDDSA-N 430.951 4.717 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)C2)ccc1Cl 1537748909 HSIWTYXHNSLREH-FUHWJXTLSA-N 432.973 4.640 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)C1CCCC1 1539345313 SLGIMDUTPPFXOA-UHFFFAOYSA-N 444.627 4.687 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H](C)c1ccco1 1539587563 HIWNOHMHWSUGCR-CQSZACIVSA-N 447.333 4.661 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(F)ccc2SC)CC1 1539855122 OYKIDTKPDJAZSW-UHFFFAOYSA-N 429.590 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](COC)C1 1539926703 RSQHKQVBUFKCKQ-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539989380 VXRRWMCTCCBWCM-GOSISDBHSA-N 444.023 4.884 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1540026885 LHBVFWJUZZQCCH-WMZHIEFXSA-N 433.556 4.529 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(Cl)c(OC)c2)C1 1540894894 HISSPHSNMBILRX-IBGZPJMESA-N 430.980 4.502 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2csc(CCc3ccccc3)n2)o1 1542292613 BVDHMHNFQREPLU-QGZVFWFLSA-N 446.580 4.875 30 10 IJEE C=CC[C@]1(C(=O)N2CCCc3c(OC(F)F)cccc32)CCCN1C(=O)OC(C)(C)C 1544207930 NGRGCHNTMBTHEF-HSZRJFAPSA-N 436.499 4.913 30 10 IJEE CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)CC1CC1 1556870629 ASVITNCFHJWYJS-UHFFFAOYSA-N 436.512 4.721 30 10 IJEE COc1ccc([C@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)c(C)c1OC 1559876644 AYVYYVGBTBNDEE-SFHVURJKSA-N 446.551 4.581 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccncc1OCCC(C)(C)C 1560494095 YJKJGMQVZMBMDY-UHFFFAOYSA-N 431.374 4.961 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 1562442165 XRNIOACNVXVCDQ-UHFFFAOYSA-N 425.460 4.779 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)[C@@H]1CCCc2ccccc21 1563413959 ZHFDGSPNAGFYAF-KAYWLYCHSA-N 445.607 4.945 30 10 IJEE C=C[C@@H](CC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)c1ccccc1 1583221804 FMOXUWMWHGKEFA-SFHVURJKSA-N 431.349 4.592 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N[C@@H](C)CC 1587575648 ZIMXJMWISVNQGV-LSDHHAIUSA-N 444.004 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN(C)C1CCCCC1 1587621239 PVXFBEOCUPKNDH-FQEVSTJZSA-N 446.599 4.713 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCCCCC[C@H]21 1587813287 LDUAOPBUXCSMMT-FUHWJXTLSA-N 430.394 4.619 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1ccc(Oc2cccnc2)c(F)c1 1588181634 YTLRPACVLYRSOO-IBGZPJMESA-N 431.515 4.629 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1589722053 ORBXZCAFGBCEFR-SFHVURJKSA-N 441.377 4.693 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1593741415 OQCFZRFSZRMSAX-UHFFFAOYSA-N 437.632 4.629 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1594237003 LNZFOBPLTWTEKQ-XMMPIXPASA-N 437.632 4.812 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1594498850 YFGSAEOLUPWQDN-BGYRXZFFSA-N 437.636 4.537 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](SC)C1)c1ccccc1 1594543410 AEMTZMIQOGASOL-UNMCSNQZSA-N 436.629 4.760 30 10 IJEE C=CC[C@H](Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1C(C)(C)C)c1ccccc1 1594552140 HYHXSBQPXSQCLV-WOJBJXKFSA-N 437.613 4.970 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCCCC1 1595142960 VZOSXRVJUVCKPS-GMAHTHKFSA-N 442.579 4.914 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1595196058 JTCFYIAYWBYESA-OALUTQOASA-N 444.023 4.665 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(F)c1 1595260014 FTVIENUOYCITBM-UHFFFAOYSA-N 426.536 4.891 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC=C(C(F)(F)F)CC2)cc1 1595614555 XLDNZCBUXQDOHC-FQEVSTJZSA-N 448.489 4.832 30 10 IJEE C#C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccc(Cl)cc1F 1597004210 ZTQCEDZFMPVIAV-QRWLVFNGSA-N 435.307 4.552 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H](C)c1nccs1 1613295100 AUYCZQHMJOQPBM-MOPGFXCFSA-N 449.628 4.640 30 10 IJEE Cc1cc(F)ccc1N(CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc(C#N)cc1 1616019230 CZKDIAKFUUFHFM-UHFFFAOYSA-N 427.523 4.860 30 10 IJEE C=CCOc1ccc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)cc1 1623716184 SRXWQYSJPJCWMR-UHFFFAOYSA-N 447.560 4.769 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(Cc4ccc(C(C)C)cc4)CC3)cc2C1=O 1624636487 WBCDOKCOLOMXTM-UHFFFAOYSA-N 430.548 4.687 30 10 IJEE C=CCC1(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CCCCC1 1626167061 XBWAMOUYMCBVDS-INIZCTEOSA-N 434.378 4.548 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)c(Cl)c3)CC2)cn1 1627828902 HKUVKHIQNJYGJG-UHFFFAOYSA-N 433.899 4.753 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CN(C)CC(C)(C)C)c1ccc2c(c1)OCCO2 1633062279 IOFDUAQLMIHISX-UHFFFAOYSA-N 438.568 4.534 30 10 IJEE C#CCN(C)C(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1633931978 ZRGDJLQVUCJNIU-FQEVSTJZSA-N 430.548 4.519 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1636557824 TUUHLEODHJCRDB-RDPSFJRHSA-N 445.991 4.980 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1ccc(C#N)c(Br)c1F 1642393533 DLRFZUMQTHNXOQ-UHFFFAOYSA-N 445.317 4.968 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCSC 1645341000 PJFDBNYKWXKUBY-OAQYLSRUSA-N 444.984 4.516 30 10 IJEE COc1ccc(C2=NN(C(=O)CSc3ccc(C#N)c(C)c3)[C@@H](c3ccco3)C2)cc1 1652058068 DJMLQEXQNGGSAS-JOCHJYFZSA-N 431.517 4.938 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2Cc3ccccc3OC(C)(C)C2)n(-c2ccccc2)c1C 1653773536 HVZSWHMXUSKFEL-UHFFFAOYSA-N 428.536 4.578 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1OC 1656308260 OIABRWBBYNYJKE-AVRDEDQJSA-N 426.532 4.631 30 10 IJEE CC(C)(C)c1cc(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2)n(-c2ccc(C#N)cc2)n1 1661695320 HBMORGBWBKYUQT-GOSISDBHSA-N 446.530 4.581 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(OC)c(OC)cc1F)c1ccc(C(F)(F)F)cc1 1662379451 WIJGPIQAVPRZPO-MRXNPFEDSA-N 447.450 4.848 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1667954517 WFDROELETQEEGS-HXUWFJFHSA-N 445.922 4.678 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 1670325746 VRDSUDTYCWJIKT-SMDDNHRTSA-N 426.298 4.881 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)CC1 1672639440 MNCONQFLDONORI-ATZDWAIDSA-N 429.914 4.757 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 1673471671 GUWUTNKVEYBXOH-DEOSSOPVSA-N 442.494 4.826 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CCC(OC)CC1 1689835245 JDIRNDUPJMZGIF-PGYGNJIDSA-N 426.630 4.939 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nccn1C(F)F 1689948989 MMQUCGWAURKUFH-UHFFFAOYSA-N 432.887 4.523 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1C 1690064847 AJKVMHGHIMBRBQ-UHFFFAOYSA-N 429.387 4.894 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(OC)cc1C(F)(F)F 1690206491 SLBVSLJWLCAQKL-JOCHJYFZSA-N 434.506 4.935 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@H]1CCOC1 1690259813 XVRMTEUNBWLISI-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCC[C@@H]1C 1690260759 WRBQEQCRPQQZSQ-KKSFZXQISA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[C@H]2CCOC2)CC1 1690402542 GQYUYCCMQBHSGF-INIZCTEOSA-N 449.368 4.676 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)c(Cl)c2)CC1 1690412910 BUHYTSNCIVLCCN-UHFFFAOYSA-N 444.004 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCOC1 1690437542 HHNYIGJSOCCSLA-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1690466758 AFHJYYNSXVZHKY-UHFFFAOYSA-N 449.643 4.791 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)C1 1690469154 FYDODCOBUVIYEV-ACBHZAAOSA-N 435.588 4.891 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690629491 ZWKDYFGZCNPTEE-MHECFPHRSA-N 428.577 4.644 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(F)(F)C1 1690735576 BQLXUJFHRCVLRV-UHFFFAOYSA-N 447.324 4.611 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC1CCCCCC1 1691010111 CLNLYFXYMVQFPZ-CEWLAPEOSA-N 431.625 4.532 30 10 IJEE CS[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1)C(C)(C)C 1698354705 CYIARDGSNCGZEY-GUDVDZBRSA-N 433.666 4.714 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1705486744 KPUQHFPGJFTTHQ-CYBMUJFWSA-N 443.313 4.545 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC[C@H](OC)C(CC)CC 1705546151 CEYZEEYSNSICIZ-IBGZPJMESA-N 433.394 4.618 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCSC1(C)C 1705619929 GWAYUUJCSVJNBZ-NRFANRHFSA-N 449.599 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1Cl)N(C)C 1705674295 FBIWBHVIMGLPFO-GBXCKJPGSA-N 428.024 4.815 30 10 IJEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(CCC)Cc1ccc(F)cc1F 1705726628 WRTUNVRBIPSNAH-UHFFFAOYSA-N 436.510 4.788 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1705822727 PCBBMGHMLUPWMD-HNNXBMFYSA-N 445.539 4.711 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)O 1705879028 KOQSLTBRGQORKY-UHFFFAOYSA-N 435.355 4.851 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC(F)(F)C1 1706068217 GOHMTFGSEZNCOP-UONOGXRCSA-N 425.430 4.578 30 10 IJEE Cc1noc(C)c1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1707930821 DFUNGCOYDKIJFS-HXUWFJFHSA-N 449.317 4.541 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1708595668 CRGWXWMTZRJISP-JPYJTQIMSA-N 427.618 4.887 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccoc2)cc1OC 1709856139 ICXFMXBOBIUVHM-XMMPIXPASA-N 435.528 4.514 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCn1nc(C)cc1C 1722344272 VHQYECZVKKXXGY-UHFFFAOYSA-N 438.988 4.786 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722390517 SMAXPQYHMHZMBQ-MOPGFXCFSA-N 430.474 4.710 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCSCc1ccccc1F 1722473488 FKTPOULDLWOYDE-NFBKMPQASA-N 428.577 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1ccccn1 1722492716 UCWCRXCJAFPELU-NHTMILBNSA-N 431.584 4.833 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)SC)CC1 1722577606 LODMPJUXYQWORJ-QGZVFWFLSA-N 449.665 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(c2ccccc2CO)CC1 1722592445 VOFIHURUXHTDPO-UHFFFAOYSA-N 445.611 4.743 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@]1(C)CCO[C@H]1C1CC1 1722637716 VYPXXKXFSDDTFE-RXVVDRJESA-N 431.378 4.535 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCC(C)CC1 1722644631 IRTXLENYVYEEPW-UHFFFAOYSA-N 434.053 4.968 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CC1(OC)CCC(C)CC1 1722676509 CATUMQKWEZJKNI-JQJXBVGUSA-N 442.604 4.596 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCCC1 1722861888 DQFJTVKJSPQIJV-MOPGFXCFSA-N 440.661 4.603 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCC[C@H]2CCCCO2)c1 1724542094 CDZXQHIVCTYILW-JOCHJYFZSA-N 437.588 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1740540810 MPYLPZUTWNNKGX-OKZBNKHCSA-N 445.405 4.679 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740568578 ZMGPTXMNQQBRJU-UYAOXDASSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740595256 PVGAMIFHZYLUMC-PKTZIBPZSA-N 436.600 4.530 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCCC[C@@H](SC)C1 1740722640 LAWYNCVIUHRLEB-HXUWFJFHSA-N 444.670 4.508 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1740748018 DRHJGYLPQNPSRO-PBHICJAKSA-N 437.769 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)CCC 1740757785 XJUNHZXIKRZMCW-XQFWAAQXSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCCCCC2)CC1 1740836072 FXMRYKGQLHZQSD-UHFFFAOYSA-N 444.023 4.886 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C)(C)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1740855892 PEUIISXNJZEFRU-GJZUVCINSA-N 438.616 4.917 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CCCCC1 1740875213 VZTPHGOMJULUOZ-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CCC1 1740917431 SDUMNZJPSNMUGV-UHFFFAOYSA-N 443.599 4.784 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1csc(Br)c1 1740948799 HBDADPVKIMHUHO-UHFFFAOYSA-N 437.338 4.643 30 10 IJEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1CCC(F)(F)CC1 1741376420 APEGWLCSQMLQDR-FQEVSTJZSA-N 429.515 4.677 30 10 IJEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1)Sc1ccccc1 1741858411 DNAKIAHUHXRNJJ-NTKDMRAZSA-N 432.597 4.575 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2CCCc2cccc(C)n2)cc1 1742292531 HQOLRTCSDGEFMG-IBGZPJMESA-N 434.613 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748685704 DRVZNKSMJXSKCG-TUNNFDKTSA-N 438.616 4.853 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1748723995 GKXQPUNQEJZFPU-QHCPKHFHSA-N 446.599 4.624 30 10 IJEE C#CCCCn1c(N2CCN(CCC(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1748764109 HZJGGRFZEVLKKS-UHFFFAOYSA-N 433.644 4.720 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCCC1(C)C 1748937624 NNPABLASXCGESY-AREMUKBSSA-N 438.616 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc2c(c1)CCO2 1749171001 OFWAGOVPGPXUPU-FYYLOGMGSA-N 438.616 4.777 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1749239413 JOLWSMXHGYGWIU-UGKGYDQZSA-N 428.552 4.748 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1749521899 VWVPDTPLQXULTL-WOJBJXKFSA-N 425.596 4.531 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCC[C@H]1CC 1749538543 XAASYYTZKMPTNY-DNQXCXABSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCN1CCC 1749554324 RHWPCLKLYKITBA-SFTDATJTSA-N 443.661 4.691 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749608258 WBMMNDIWPGIAPO-UHFFFAOYSA-N 442.361 4.614 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@H](C)C1 1760243905 UGMVJUYDRCVYOD-FQEVSTJZSA-N 437.607 4.520 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](C(C)C)C1 1760275650 DGBRQIBMFRCBRB-MSOLQXFVSA-N 428.671 4.980 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760384813 HQJHLXVWBPUQLI-LIRRHRJNSA-N 439.423 4.723 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCc2c[nH]nc2C)CC1 1760384953 KQBLQDSKLHWYNU-UHFFFAOYSA-N 447.406 4.590 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1cnccn1)c1ccccc1 1760417880 JVMMFHRTXBYOBZ-OAQYLSRUSA-N 428.540 4.675 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(=C)CC1 1760425868 XSLKSEKHXZSZKI-HXUWFJFHSA-N 429.609 4.905 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1760425919 ZKNCAJBZLHMQJU-LEYXYVQTSA-N 430.618 4.811 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760433809 MOUBLUBFCWOITC-LSDHHAIUSA-N 437.407 4.883 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccoc1 1760443064 YXBLACNBDJDCQP-UHFFFAOYSA-N 431.334 4.815 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN1CCCC1 1760456286 LGSGOPVTAOENJP-SFHVURJKSA-N 432.012 4.816 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(SC)c1 1760499336 VACDQKQJGHTFAP-QFIPXVFZSA-N 449.624 4.920 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1ccc(F)cc1 1760499889 NPHBMZVVOBPNJM-UHFFFAOYSA-N 448.546 4.624 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCC(NC(C)C)CC1 1760533353 DVFJVWQJDAYOOL-UHFFFAOYSA-N 437.632 4.591 30 10 IJEE C=CCSCCn1c(N(C)Cc2csc(Br)c2)nnc1C(C)(C)C 1760568990 ZRDUVDACTSOZTG-UHFFFAOYSA-N 429.453 4.955 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)C1 1768377888 AGMROMWLUXHBNP-VXKWHMMOSA-N 439.629 4.888 30 10 IJEE COc1ccc(-n2nc(C)c3cc(C(=O)Nc4sc5c(c4C#N)CCCC5)cnc32)cc1 1859743036 UXHLICRYCPWJFD-UHFFFAOYSA-N 443.532 4.802 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861124134 BQQWVDLBFKKZAD-QMPJNXRZSA-N 429.561 4.856 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861213502 RMBDDSCCJLBSPA-NVQXNPDNSA-N 447.639 4.799 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430062 BFPLCUGPUUCRKV-NRFANRHFSA-N 437.854 4.963 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c1 1862487041 QZGVCEJBSJTQOK-XMMPIXPASA-N 441.483 4.811 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862492409 QSBCFQWIBSVDOL-QHCPKHFHSA-N 435.520 4.929 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 1862531999 AYVRUPJDOVWVSK-DEOSSOPVSA-N 442.515 4.821 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1862675732 SBLQSDFLTITXDR-FPTDNZKUSA-N 433.435 4.576 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 1864202627 LQDNSLLATJFPAM-QHCPKHFHSA-N 442.563 4.609 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 1866715699 OIKLZHYCZQBAIG-QRWLVFNGSA-N 429.973 4.582 30 10 IJEE CCOc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N(C)CCc3cnc[nH]3)n2)cc1 1868517179 BGVYRWWKECRTDN-UHFFFAOYSA-N 439.523 4.560 30 10 IJEE C=CCn1cc(OCCCc2ccccc2)c(=O)cc1CNc1ccc(OC)c(OC)c1 1871137671 JYJSFTMRTKCNJL-UHFFFAOYSA-N 434.536 4.675 30 10 IJEE Cc1c(OC(=O)CNC(=O)c2ccccc2)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871366558 GJONBPPAESINOU-LABNAMAPSA-N 439.467 4.503 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871432921 RVPSPGMNPOTCOU-MSXFZWOLSA-N 445.446 4.970 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871458493 KNQCXWHESXYPGC-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1872019495 WPXQCURTTKSOEM-QFIPXVFZSA-N 428.598 4.887 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872560219 WGQDUKMHFOLANK-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE CCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccc([C@H](C)CC)cc1 1872702698 ZWUDNPNFGPGJTM-QGZVFWFLSA-N 430.549 4.691 30 10 IJEE Cc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873296957 WBZZZVCGPWZSNE-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1cccc(OC)c1OCC 1874371174 MTBMYTONZZDYCV-PXLXIMEGSA-N 428.583 4.692 30 10 IJEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1sccc1C 1874398240 XOUHIHRFGHWMGQ-QPNANDPSSA-N 428.583 4.727 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1C 1874405037 CESOPLLVWMCWHR-LFVJCYFKSA-N 427.618 4.552 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 1874418377 MKVIWFGERSCZIE-XIEYBQDHSA-N 443.532 4.994 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccn1 1874428124 SWBGLTNGLGTDHJ-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)c1 1874516922 MXDNWMRBIKAYJV-BUVRLJJBSA-N 435.553 4.557 30 10 IJEE CCc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)CCOC)c(OC)c2)cc1 1875103170 NGGSOGNNWIZFME-JXMROGBWSA-N 447.325 4.858 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CC[C@H](Cc3ccccc3)C2)CC1 1891255908 XRKCPAJANSIUTL-LJQANCHMSA-N 446.576 4.582 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCc2ccc(Br)cc21 1922073651 GDUHOESSMVOJGZ-GOTSBHOMSA-N 430.386 4.724 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1937518459 AFTCCAUVUZOYAJ-AUUYWEPGSA-N 435.487 4.715 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)CC1 1984692414 NQLWKMPXDOHROV-CLOONOSVSA-N 445.563 4.702 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(F)c1 2079137193 KDUBQTGTVLOGQF-CQSZACIVSA-N 431.199 4.744 30 10 IJEE CC(C)c1nn2c(O)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc2c1C#N 2080828980 CLEJBZWULRMVHR-UHFFFAOYSA-N 425.208 4.878 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)CO2 2081984504 IVTUSQQBNPEFEP-DNQXCXABSA-N 449.592 4.618 30 10 IJEE N#Cc1ccc(Br)cc1N[C@@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156285355 RMOAKPNCTRWRNB-UNMCSNQZSA-N 426.358 4.556 30 10 IJEE N#Cc1c(Cl)cccc1N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2162288691 VKTIBFZLZUDIFJ-SFHVURJKSA-N 425.916 4.584 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2cc(Br)cnc2C#N)(C(C)(C)C)C1 2167613188 KEIZDSUSSGEKKD-FQEVSTJZSA-N 437.382 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC1CC1)c1cc(Br)ccc1C#N 2174813476 WVSDCQSDEMCOIZ-SFHVURJKSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNc1ncc(Br)cc1C#N 2194004721 BTTWDLKMNSKURG-OAHLLOKOSA-N 449.374 4.724 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCCNC(=O)OCc1ccccc1 2264172759 LGANTSHKSMIJBI-JOCHJYFZSA-N 443.385 4.875 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC[C@]4(CCCN(Cc5ccccc5)C4)C3)CC2)OC1(C)C 2267501771 CRKYJLZIUMJNML-VWLOTQADSA-N 438.421 4.518 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(F)c(F)c(Br)c(F)c1F 2267840564 DIUDXLFGAJHSNM-VXJOIVPMSA-N 441.263 4.865 30 10 IJEE COCC#CC[C@H](OCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276351563 VRLUWJDBFNBYHO-SANMLTNESA-N 445.559 4.901 30 10 IJEE C=C(Cl)C[C@H](OCCN)c1cc(Br)cc(Br)c1OCC 2294081404 UJWWCVXMAPEFKP-ZDUSSCGKSA-N 427.564 4.769 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C(=O)C#Cc1ccc(Br)cc1)c1ccccc1 2296223643 BXTYZXKJMPUQRX-QFIPXVFZSA-N 428.326 4.810 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@](C)(NC(=O)OC(C)(C)C)C1CCC1 2296303546 XOHIUSBJNHENOW-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#C[C@H]1CC1(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2317325555 BBIXCWPSAJXFFT-GOTSBHOMSA-N 439.644 4.574 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318950446 YFENATUDMLUBII-WIOPSUGQSA-N 447.572 4.799 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1c[nH]c2ccccc12 2320933929 ZRMYMFMTKGSXFN-UHFFFAOYSA-N 432.553 4.552 30 10 IJEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)c(OC)c1 2321981723 WBTIFLNLBUVLPL-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc(F)c1)O3)CN(CCCCN1CCCC1)CO2 2322119052 MYSQQLJIWRUMAF-UHFFFAOYSA-N 436.527 4.778 30 10 IJEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2OC)C3=O)C1 2322391370 DLUVONGQYPGRPN-UHFFFAOYSA-N 437.536 4.979 30 10 IJEE Cc1c(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cccc1[N+](=O)[O-] 2323260188 GWVBQXBRRMVXTQ-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OCc1ccc(C(=O)OC)o1 2323647430 JVSXHDPTAYGBFU-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(O)cc1 2326075200 UCKPNWSPVCNZNW-UHFFFAOYSA-N 428.945 4.809 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc1[N+](=O)[O-] 2326238688 RALAPTSXEORSQE-UHFFFAOYSA-N 443.504 4.851 30 10 IJEE CCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(C(=O)OC(C)C)o2)c1 2326862996 XNUDHURTZFQTNW-UHFFFAOYSA-N 442.541 4.708 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cc(OC)ccc1OC 2327638424 GFPFYWJKFIRUBU-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE OCCCSc1nnc(CCc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330209851 ZHMFXBQRJQUHTP-UHFFFAOYSA-N 435.380 4.727 30 10 IJEE CCOc1c(Br)cc(C=Nn2c(CC(C)(C)C)nnc2SC)cc1OC 2330800123 SSGVVIOOWWEOAJ-UHFFFAOYSA-N 441.395 4.641 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2[C@H]2CCCO2)cc1 2330889314 WYGIATBEAJZPNR-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)COC)c(OCC)c2)cc1 2331306255 PUKDVXODTNEPEA-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C(C)C)cc(OC)c1OC 2331675230 DCDVZTGDXLNSJQ-UHFFFAOYSA-N 440.569 4.910 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2)c1 2331682957 YUAKTWSVACUBGM-UHFFFAOYSA-N 427.961 4.976 30 10 IJEE CC[C@@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339575882 BOKROMTXDAVTCB-WOOPDLCSSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)NC1(CCCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339581258 JEZYZERYJAXRNH-UHFFFAOYSA-N 444.381 4.943 30 10 IJEE CC[C@@]1(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339587196 QRJCXAVTPJKEMN-XMMPIXPASA-N 443.397 4.928 30 10 IJEE Cc1cc(CN(Cc2ccccc2)[C@H]2COC(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2343695595 YDXZVBRKERJLAY-HSZRJFAPSA-N 435.417 4.864 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)c1c(OC)cccc1OC)C2=O 8823886 XJZADOIOQJJGDH-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c(OC)c1 14581773 BLSFQWOBACUDNO-UHFFFAOYSA-N 445.541 4.724 30 10 IJEE CC(=C/c1ccccc1)/C=N/N=C1\NC(=O)[C@@H](CC(=O)c2ccc(Cl)c(C)c2)S1 15055441 MVBWGLILEHMUGD-PFJUUOFKSA-N 425.941 4.898 30 10 IJEE C[C@@H](NC(=O)CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)c1ccccc1 59015755 ZKSGQWXEEQPHEH-OWGFIJSYSA-N 449.367 4.527 30 10 IJEE CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1cc(C(=O)OC)cc(C(=O)OC)c1 101764526 YGGVDHLBBHBBEH-ULUDIPACSA-N 448.519 4.575 30 10 IJEE CCOc1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 103106868 UJMZVQMWOSKDJW-LYHOESIGSA-N 440.546 4.846 30 10 IJEE CCOc1c(Cl)cc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)c(OCC)c1Cl 169936443 MTAHEVSPUNMJGL-MRXNPFEDSA-N 429.369 4.659 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccc(C)c2)cc1 169972255 FTPRCHFOTMVACX-NRFANRHFSA-N 448.544 4.855 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCC[C@@H](CO)C2)C1=O 170041337 AQNXJHHWTCABAI-OAQYLSRUSA-N 426.601 4.612 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 170144342 ZVANGYWFHHIGPK-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)c1 170154185 ZFZILDKIQVWFTR-IBGZPJMESA-N 441.530 4.605 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170237480 VJZGPFNXOTZLEL-JOCHJYFZSA-N 449.503 4.991 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170249216 REFHQCRRTMAOHE-HSZRJFAPSA-N 429.447 4.934 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccco2)c1 170279229 QGLQXROZCXYSOD-OAQYLSRUSA-N 437.423 4.609 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(OCc2ccccc2)cc1 170438227 LIZJTOYMYAYJSS-XMMPIXPASA-N 437.536 4.613 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2O)ccc1O 170465260 RWPMJPKTWVIRMN-LJQANCHMSA-N 445.899 4.665 30 10 IJEE C=CCN1C(=O)C(=NNC(=S)Nc2ccc(Oc3ccccc3)cc2)c2ccccc21 254753453 IQLOJTCTLIEKCM-UHFFFAOYSA-N 428.517 4.702 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1CCC 407030145 TYLOKRIHINWTMA-DLBZAZTESA-N 443.430 4.956 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)o1 442110237 DDLKWNBLEFSGSE-LIRRHRJNSA-N 434.521 4.522 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)C[C@@H]2CC)cc1 461986020 NZFLUEHAIDBOLV-QHCPKHFHSA-N 432.568 4.634 30 10 IJEE CC[C@@H](C)n1c(SCC(=O)Nc2nc3c(cc2C#N)CCCC3)nnc1-c1ccccc1 484165571 PVYKPOSTZBMUCG-MRXNPFEDSA-N 446.580 4.792 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2c(F)ccc(Br)c2F)cc1 500824609 XPXHPZLQGZXWDY-UHFFFAOYSA-N 449.295 4.723 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@]2(CCCOC2)C1 508471654 GRCABZIPJLVYKF-VWLOTQADSA-N 434.540 4.700 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])o2)c1 526488745 MRAJTUXABUOBCU-OAQYLSRUSA-N 431.404 4.515 30 10 IJEE CCOc1c(OC)cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1OC 526806514 IVWRKWDSTYVKIG-KSEXSDGBSA-N 432.933 4.522 30 10 IJEE N#Cc1cccc(CC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 547987735 BSECZJFINMPNPZ-UHFFFAOYSA-N 432.320 4.622 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(Oc2ccc(F)cc2)CC1 573391236 GURDZALIGPGZRG-HSZRJFAPSA-N 434.515 4.717 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N(C)c3ccccc3)C2)c1 585881369 WSXJCVJITSVWEF-QFIPXVFZSA-N 434.584 4.975 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cc(C)cc(C)c2)c1 586250045 ULJUDTOYSCIHPE-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=C(C)CN(c1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251767 BOGJOWIVHOEDFG-UHFFFAOYSA-N 441.641 4.507 30 10 IJEE CC(=O)c1ccc2c(c1)CCN2C(=O)Nc1ccc(OC(=O)c2cccc(C#N)c2)cc1 586516719 GKURODYVICAMLN-UHFFFAOYSA-N 425.444 4.575 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 604618428 VGRSACPPKQODBB-UHFFFAOYSA-N 437.515 4.715 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 698888980 BSZVTAHNMOGSOL-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(F)cc1F)[C@H]1CCOc2ccc(Br)cc21 733640303 RZCPBCMXTWNJBB-YJYMSZOUSA-N 449.295 4.957 30 10 IJEE C/C(=C\C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F 742041502 SHFJFRORZKNXJJ-OZIPEELISA-N 431.433 4.657 30 10 IJEE N#Cc1c(NC(=O)COC(=O)c2cc(N)cc(Cl)c2Cl)sc2c1CCCCC2 747019921 CFSPCJJXNHYCPK-UHFFFAOYSA-N 438.336 4.573 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ncc(-c3ccccc3)s2)cc1 770567854 XXSGNPNRKWWVGM-CCEZHUSRSA-N 426.563 4.737 30 10 IJEE C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C 774257444 QERLIQBYESBTOP-CTNGQTDRSA-N 443.519 4.658 30 10 IJEE C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S 798179309 UVVGFHOVLWIIJU-GOSISDBHSA-N 426.542 4.672 30 10 IJEE CC[C@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(Cl)s1 806226880 FRWLOLJKCFMDNR-INIZCTEOSA-N 443.981 4.885 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CCCCF)c1 812222517 MZDMXWKPSLOHCV-HXUWFJFHSA-N 441.503 4.517 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CC(C)C)C2=O)cc1 916209213 GXGCPTVRWMERPJ-HXUWFJFHSA-N 441.528 4.645 30 10 IJEE Brc1cc(C=Nc2cccc(I)c2)oc1N1CCCC1 1083911759 GXZDVCXSXJQCON-UHFFFAOYSA-N 445.098 4.998 30 10 IJEE N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(F)c(N2CCOCC2)c(F)c1 1125244583 GHKCWFCKFKFMMQ-UHFFFAOYSA-N 425.460 4.654 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 1126531764 CXVDOESPMMSPET-GFCCVEGCSA-N 425.963 4.933 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 1131513179 WUGZHRJOZGPKQM-OYRHEFFESA-N 439.353 4.954 30 10 IJEE C=C1CCC(CNC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)CC1 1133544368 XAVRLTVCAXGOPM-UHFFFAOYSA-N 448.592 4.801 30 10 IJEE C=CC1(CC(=O)Nc2sc(C)c(CC)c2C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1136939215 SNLDHAFDJDYYPM-UHFFFAOYSA-N 436.574 4.547 30 10 IJEE C[C@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1c(Cl)cccc1Cl 1186293267 GTWPBQAZZGIQSR-SNVBAGLBSA-N 437.270 4.966 30 10 IJEE C=CCn1c(SCC(=O)c2cc(F)c(C)cc2F)nc2sc3c(c2c1=O)CCC3 1188226810 XHESUSQWKQERPX-UHFFFAOYSA-N 432.517 4.694 30 10 IJEE C#CCN(CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OCC)CC1CC1 1192305238 XEEULGQOOWPKOX-UHFFFAOYSA-N 430.957 4.529 30 10 IJEE C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)C1 1192905789 RKBBPNJGSRAHOB-CQSZACIVSA-N 440.334 4.967 30 10 IJEE N#Cc1ccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1F 1248642419 FTWQDJRBWSRFAD-FQEVSTJZSA-N 435.421 4.683 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)cc1 1264609564 WAHOUDMXDWARKJ-UHFFFAOYSA-N 448.588 4.533 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(CCN3CCCC3)c2)CCCN1C(=O)OC(C)(C)C 1266278134 LDOYZJLHGJMEST-RUZDIDTESA-N 427.589 4.609 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(c3cccc(OC)c3)CC2)CCCN1C(=O)OC(C)(C)C 1269225878 FKSFNQLTYSTOFZ-VWLOTQADSA-N 428.573 4.747 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@H]1CC 1286278396 CQBSSRAMNOMXNZ-PZJWPPBQSA-N 439.673 4.998 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CCCC1 1286461746 WPLOVIIYDDMLJW-UHFFFAOYSA-N 448.590 4.889 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C2CC(C(C)(C)C)C2)CC1 1286473191 YLDQKDCDJRZJLQ-DDRJZQQSSA-N 449.643 4.787 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1286593138 JGTIFVXOOIBBOB-WOZUAGRISA-N 443.636 4.984 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccsc1 1286594106 ZZABLBISRJGTRC-UHFFFAOYSA-N 431.606 4.667 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1286603637 VQRPZRZEDJRCNG-XZOQPEGZSA-N 438.616 4.743 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2CN(CC)CC)CC1 1286659893 ADXVDNJOMXEIFT-UHFFFAOYSA-N 444.627 4.941 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)c1ccccc1 1286678770 DMFDDJJAVQESDQ-HSZRJFAPSA-N 449.643 4.866 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCO[C@H]1CCCC[C@H]1C 1286719619 AFDPVRBGFUIWKI-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1nc2c(s1)CCCC2 1286719853 MJLBSMDDEIXCOX-UHFFFAOYSA-N 444.004 4.807 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccncc1Cl)C1CC1 1286731991 HTOHMPMONWKAQC-OAHLLOKOSA-N 427.911 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)Oc1ccc(F)cc1 1286748797 BMOISSLSLJRDDI-ROUUACIJSA-N 442.560 4.643 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cc2ccccc2s1 1286769118 NFOBZURRTLNVHF-UHFFFAOYSA-N 439.610 4.536 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC[C@H](F)C2)C1 1286801878 JOTOJOVSYVGVEA-ZYSHUDEJSA-N 449.368 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1300293834 SLPIYWJWAKGNOF-UFYCRDLUSA-N 428.024 4.815 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1300394455 QIDSAPONQIRPDH-TZIWHRDSSA-N 447.583 4.626 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1300425826 YIMZGMSPERDSAM-ACRUOGEOSA-N 441.620 4.923 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1ncc(CC)s1 1300602231 AWPMIPQLBUHHRZ-UHFFFAOYSA-N 430.581 4.523 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC(C)C 1300896712 IRWSQMWHPFWXKJ-GCJKJVERSA-N 432.996 4.974 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 1301186994 MWUBCRXTHKXPIX-MJGOQNOKSA-N 435.588 4.543 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)C(=O)OC(C)(C)C 1301280249 GWYVJVKREIQULL-UHFFFAOYSA-N 440.375 4.741 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@@H]1CCCC[C@@H]1C)C1CC1 1301334922 SIPMJDOSRBTFGT-BDKRGJGYSA-N 430.637 4.947 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1ccc(OC)cc1F 1301412592 FCJSWSDBFRAZIA-UHFFFAOYSA-N 426.536 4.891 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](C)OC)C1 1301543590 MTTWJTMMQWDHSC-LSDHHAIUSA-N 432.977 4.629 30 10 IJEE C=CCn1c(Sc2ccnc(-c3ccc(OC)cc3)n2)nnc1-c1ccc(OC)cc1 1306920573 IZHXPNWELKRVEX-UHFFFAOYSA-N 431.521 4.757 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NCc1ccc(COc2ccccc2)cc1 1307486551 HXEVNOOXSGPVOG-KAYWLYCHSA-N 439.559 4.654 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(Cl)cc3OC(F)F)CC2)c1 1310512214 DXJILJQAFSEJPM-UHFFFAOYSA-N 434.874 4.599 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1OC 1310572737 CHIMWNHXODYBBP-SFHVURJKSA-N 429.314 4.839 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H]3CCN(C)[C@@H]3c3ccc(Cl)c(F)c3)cc21 1311251458 CGKPSISHWSHQHQ-HTAPYJJXSA-N 441.938 4.829 30 10 IJEE O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 1312297763 DHHSGHFPPIGXSI-WBVHZDCISA-N 438.343 4.569 30 10 IJEE C=CCCCCNC(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1312541411 GFDKCPUUFVRJID-NTKDMRAZSA-N 429.561 4.545 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)cc1 1312735618 AMBQHZXDZYTEPL-FQEVSTJZSA-N 428.964 4.560 30 10 IJEE C=CCCCCCCCNC(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)OC(C)(C)C)C2 1312826673 UPYHDVDLLORWHF-HXUWFJFHSA-N 437.625 4.618 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CC1 1315238911 GZXLTAYLBVTEAS-RDGATRHJSA-N 437.588 4.561 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)C1 1316422297 GYICUKYLZONWKT-SIKLNZKXSA-N 427.643 4.824 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 1349397863 JITFWYVTZDRHOM-UHFFFAOYSA-N 446.459 4.664 30 10 IJEE CCOC(=O)c1c(NC(=O)Cc2cccc(OCC#N)c2)sc(-c2ccccc2)c1C 1350183091 HPQZMXYRVXSDMV-UHFFFAOYSA-N 434.517 4.984 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc(Cl)cs1)c1ccc2c(c1)OCO2 1351623213 QYWGBBZJPHJUGP-UHFFFAOYSA-N 428.897 4.937 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CC(c2ccccc2C)=NO1 1352519803 GYWBRLUDRYPZJN-VWLOTQADSA-N 425.488 4.886 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1355734788 FELRSOQXKQBNHL-QFIPXVFZSA-N 428.598 4.983 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C)c1ccccc1 1357221015 VVCCJUZLABGKCW-HYBUGGRVSA-N 440.609 4.995 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2c(C)n(Cc3ccccc3)c3ccccc23)c1 1357823395 KJZJPLFMIPHEGT-UHFFFAOYSA-N 435.527 4.690 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1358934790 NEUQBKZAOZUJGB-OAHLLOKOSA-N 437.371 4.581 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cc(C(C)(C)C)no1 1358940498 ZXPGFRMJOLGENL-UHFFFAOYSA-N 446.580 4.780 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1scnc1C 1359004287 QQIMULVSKBBJRB-UHFFFAOYSA-N 447.564 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ncnn1C(C)(C)C 1359108278 HTLHXQRUUMKHSL-UHFFFAOYSA-N 444.587 4.599 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359163196 UUMKLMAIHKVIEX-UHFFFAOYSA-N 444.023 4.644 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCOCc2ccc(OC)cc2)CC1 1359177200 DTESRUNPIGWSFB-UHFFFAOYSA-N 447.583 4.666 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1359273933 UFGZOKDLOGCAJH-AREMUKBSSA-N 445.567 4.646 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1ccccc1 1438195026 YBIUUONZRUKKIS-KRWDZBQOSA-N 448.382 4.858 30 10 IJEE C#CCCOc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1 1446536324 KUVWWGLIVHCSPM-MUUNZHRXSA-N 425.528 4.565 30 10 IJEE C=CCn1c(S[C@H](C)c2nnnn2C2CCCCC2)nc2cc(Cl)ccc2c1=O 1458738590 ZDUXMNUVDBXKIZ-CYBMUJFWSA-N 430.965 4.581 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(F)cc3)C2=O)nnc1-c1ccc(Cl)cc1 1458782906 RNKFKEYASXFXSD-SFHVURJKSA-N 428.920 4.821 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)cc1 1460796489 YQRSCXGILFOSDU-IEGUWTFLSA-N 438.955 4.613 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccc(Br)cc2)c1Br 1461013137 FVMSZUJWQZVAQZ-UHFFFAOYSA-N 426.133 4.814 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1464203361 XCBFEDRRHSBFDJ-QPPBQGQZSA-N 444.666 4.914 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(OC4CCCCC4)cc3)ccc2c1=O 1465155945 DNNQUBKDDFMQMN-UHFFFAOYSA-N 435.549 4.835 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)CCCN1C(=O)OC(C)(C)C 1465639486 UWQHIRYSKAEHFD-SVBPBHIXSA-N 436.596 4.676 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F)c1ccccc1 1468643438 AJQDMURENJQUAI-UHFFFAOYSA-N 428.460 4.598 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](c2ccccc2C)C2CCC(C)CC2)n1 1470689771 AVMCFVOFZJEWNY-YNJPUODISA-N 436.600 4.550 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)cc1 1475753079 REPKBAPYGUDEHT-UHFFFAOYSA-N 442.581 4.899 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)cc1 1475950226 FGWLETIWZFVMPF-RPWUZVMVSA-N 430.552 4.645 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(N4CCCNC4=O)cc3)cc2)cc1 1476058545 ABJCYDVZLRUUSD-UHFFFAOYSA-N 441.491 4.592 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 1476223469 VKGBBHZSQABCQL-UHFFFAOYSA-N 435.430 4.551 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1nc2c(s1)CCC[C@@H]2C(=O)OCC)c1ccc(F)c(F)c1 1476674571 YODKFPZWIDMORR-GUYCJALGSA-N 435.496 4.843 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCCC3)cc21 1477135845 OJIHZAHYCQSDEI-FQEVSTJZSA-N 441.576 4.817 30 10 IJEE COc1ccc(Cn2c(C3CCC3)nnc2N2CCC(CC#N)CC2)c(C(F)(F)F)c1 1504269327 BUTSBRHKRZHKNL-UHFFFAOYSA-N 433.478 4.751 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC[C@H](C)C1 1507520689 FUPQIOQGUJTFNQ-JYJNAYRXSA-N 431.378 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCN(C(C)C)C(C)C 1507523780 RQTUCCDERGYPLE-SFHVURJKSA-N 446.437 4.674 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)OCCc2sccc21 1507681749 CVUSWXFBWLXNKX-QFIPXVFZSA-N 444.963 4.747 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccnc(OCc2ccccc2)c1 1507818137 SAMXYDKWKWRPAZ-UHFFFAOYSA-N 440.551 4.765 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)C2(CCC2)C1 1507840913 QMEMFZHDGBQBPZ-LJQANCHMSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1507912015 CUQKBKZKNJGDEF-SIKLNZKXSA-N 434.588 4.737 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1507915998 IMQBAEPPDWBATK-FCHUYYIVSA-N 446.636 4.677 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@H](SC)C1 1507925435 CBPJFKWVQJHDMC-IBGZPJMESA-N 428.602 4.795 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccc(C)s1 1507971965 DPZWQOPKBADETG-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1508127282 UQCKQDPBDRUUMC-HKUYNNGSSA-N 436.934 4.739 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C#N)c1 1508166732 CHAVCZNKFGZXGU-NHCUHLMSSA-N 439.629 4.624 30 10 IJEE O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)n1 1516260704 BAOPWNHMYFPCRL-HNNXBMFYSA-N 446.326 4.849 30 10 IJEE C#CC[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 1519779473 SUUSCHUKOYXYFO-QGZVFWFLSA-N 429.263 4.582 30 10 IJEE C=CCC[C@@H](NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)c1ccc(C(F)(F)F)cc1 1526560179 HVJHFTZJFJLYSG-MRXNPFEDSA-N 435.446 4.888 30 10 IJEE C=CCn1c(SCC(=O)O[C@H](CC)c2ccncc2)nnc1-c1ccc(Cl)cc1 1528450447 YCENSZAKMQSKOB-GOSISDBHSA-N 428.945 4.966 30 10 IJEE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)cc1 1531508992 HKGNBHSMBKHHAO-IAGOWNOFSA-N 439.943 4.657 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)C(=O)OCC 1531937369 XRCMLJFTLCYKKW-CYBMUJFWSA-N 432.851 4.633 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1539024534 WCHXXEXGFAOWTN-REWPJTCUSA-N 433.625 4.534 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1539079770 ZQOLKUAYXSLONX-UGKGYDQZSA-N 447.410 4.723 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@@H](c1ccsc1)N(CC)CC 1539384547 KANYIHCALPPPNR-QFIPXVFZSA-N 425.577 4.510 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc2cnccc2c1 1539587066 UGRGSTCINRLLKU-UHFFFAOYSA-N 438.329 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC=C(C)C1 1539622356 WPXZNVIZGKQLHB-QUCCMNQESA-N 430.499 4.684 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCN2CCC)CC1 1539892149 SPCBCQCVTBFZFA-HXUWFJFHSA-N 443.586 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H](c1ccco1)N1CCCCC1 1540148055 ZYGOHAUKYWXZOQ-HXUWFJFHSA-N 425.602 4.915 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1540854282 WGAPDGZIWGBLEF-FCHUYYIVSA-N 444.583 4.565 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1)C(=O)OCC 1544344920 NPKNNAVTASXPGB-QGZVFWFLSA-N 426.822 4.572 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 1544737682 SXGBTCSMJLIMFD-KRWDZBQOSA-N 426.344 4.516 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)cc21 1558615460 TTWMCCMLHMDLEX-DEOSSOPVSA-N 440.503 4.829 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1Oc1ccc(OCC)cc1 1559850765 OKOCWFUFBNRAPR-CTNGQTDRSA-N 430.932 4.793 30 10 IJEE COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N(Cc1ccc(C#N)cc1Cl)C(C)C 1560113238 BYVHYPGOSGLDMX-CQSZACIVSA-N 433.961 4.606 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2cc(C(F)(F)F)ccc2Br)c1 1562371402 TYIWITRMHHMAKZ-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2nc3ccc4scnc4c3s2)cc1C#N 1563350895 HRWSIZXRJTWUTP-UHFFFAOYSA-N 438.494 4.990 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N[C@H](Cn3ccnc3)c3ccccc3)c2)s1 1564119901 HZSQNTOMPCJNQG-JOCHJYFZSA-N 427.533 4.724 30 10 IJEE C#Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)cc1 1569258359 XPWYHEFPGKEIGK-LJQANCHMSA-N 432.442 4.569 30 10 IJEE CN(C[C@]1(O)CCc2ccccc21)C(=O)c1ccccc1SCc1ccc(C#N)cc1 1570599688 DHOHTRMPUWMDOZ-AREMUKBSSA-N 428.557 4.757 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 1584654085 WVABMURFWYHZJM-MRXNPFEDSA-N 425.326 4.577 30 10 IJEE C#C[C@H](CCC)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1584714405 LGMSGHDCIUMLBY-CQSZACIVSA-N 443.391 4.930 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)C1 1586893975 FIOGFUGDKFPWGY-MRXNPFEDSA-N 440.519 4.729 30 10 IJEE C=CCC1(CNC(=O)c2cc(OC)c(OCc3cscn3)cc2[N+](=O)[O-])CCCC1 1587304891 SHSHCSDQVWVBQV-UHFFFAOYSA-N 431.514 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C1CC1 1587562236 MVDMLOJLYYNOQE-OTWHNJEPSA-N 444.023 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589559974 WBXMXMJLSUQTAM-YZIUBNRHSA-N 448.533 4.717 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1589722164 VSUVSICWCUSWBD-UHFFFAOYSA-N 437.345 4.652 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1593878300 HAARJNMMMDMJAX-VQTJNVASSA-N 434.943 4.597 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1593923132 GDIZADWNALQZKE-UHFFFAOYSA-N 442.947 4.800 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(CCOC)CCCC2)CC1 1594208131 BHKSPMWJGCMBRB-UHFFFAOYSA-N 429.996 4.993 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1c(C)noc1C 1594687649 VTBJJJKWAOLHQN-UHFFFAOYSA-N 430.350 4.915 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1594739115 NFSVQBJWZFCAKZ-UHFFFAOYSA-N 449.643 4.763 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1oc(CCC)nc1C 1594930303 ZEZAHCOPRCGENW-UHFFFAOYSA-N 430.350 4.627 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1OC)C1CC1 1595026789 RYWVKGKMVQGTTP-LPHOPBHVSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCSCC(C)C)C1CC1 1595027040 WPTCBNWVCMRGPD-UHFFFAOYSA-N 438.439 4.590 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1595141323 FARBZYVBXXEWAE-KRWDZBQOSA-N 433.622 4.816 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCSCC1)C(C)C 1595166813 YGQSQXGQWYIOMS-OAQYLSRUSA-N 446.064 4.850 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1595234222 LMVKCQDBMZKAPK-OZIGNCPNSA-N 442.991 4.953 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595330670 ZRBMQRJFKQMHJK-FUHWJXTLSA-N 445.995 4.914 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1595879628 ZHEGHSUVEYEOMI-MRXNPFEDSA-N 440.539 4.522 30 10 IJEE C#C[C@H](NC(=O)c1ccc(I)c(Cl)c1)c1ccc(Cl)cc1F 1597004234 ZZLLMTAYKMSQGQ-HNNXBMFYSA-N 448.062 4.841 30 10 IJEE C=CCOCCCC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1617579460 MYDACARZCGPLGC-UHFFFAOYSA-N 435.421 4.758 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCn2c(C)nc3ccccc32)s1 1624663819 WLJZWYSMLHUWRY-UHFFFAOYSA-N 435.018 4.703 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC)[C@H]1CCCc2ccccc21 1624671069 MUJRCAORBKGVDT-NRFANRHFSA-N 439.943 4.595 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1628844371 LFMRMGXDCFFXLR-UNMCSNQZSA-N 439.650 4.767 30 10 IJEE C#CCN(C(=O)c1cccc(-c2cnco2)c1)[C@H]1CCOc2ccc(Br)cc21 1629238656 RCODPRTWCXQIBG-IBGZPJMESA-N 437.293 4.703 30 10 IJEE CCCc1c(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)cnn1-c1cccc(C#N)c1 1633286792 CEPCADQHQKDVTO-XMMPIXPASA-N 447.926 4.872 30 10 IJEE N#Cc1cc(CNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccn1 1634627806 GTFKPBXNCOSKIL-UHFFFAOYSA-N 443.304 4.861 30 10 IJEE C=CCCC(C)(C)NC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1635092687 ZGLNCXDQEVAFRP-QGZVFWFLSA-N 436.394 4.605 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3csc([C@H](C)NC(=O)OC(C)(C)C)n3)cc2n1 1639187568 RDLQRTVRRKQKSJ-ZDUSSCGKSA-N 427.530 4.517 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(Cc2ccc(C(C)C)cc2)CC1 1645802659 HQFOXESLSTWBJB-OAQYLSRUSA-N 425.642 4.592 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1OC 1649342464 ACQBSUZNWKBDRF-OAQYLSRUSA-N 430.976 4.763 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)Cc2ccccc2)c1 1652883813 SWFFZRAWSBZBJJ-UHFFFAOYSA-N 437.587 4.587 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(OC)cc1Br 1653001342 CDCRTDNGPBOWPQ-HUUCEWRRSA-N 437.403 4.773 30 10 IJEE N#Cc1cc(Cl)c(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c(Cl)c1 1653354826 FFIGHBGOMUSSQB-UHFFFAOYSA-N 432.694 4.981 30 10 IJEE Cc1ccc([C@@H]2CCC[C@H]2N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 1654328470 FDTUTAHCSGKTKP-VQTJNVASSA-N 433.371 4.586 30 10 IJEE CSc1cccc([C@@H](NS(=O)(=O)c2cc(C#N)ccc2C)c2ccc(F)c(F)c2)c1 1654392198 HFPMMVJHNMGBKZ-JOCHJYFZSA-N 444.528 4.935 30 10 IJEE CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccccc1OC 1655392452 CJWHIRYGRHHXGV-JOCHJYFZSA-N 434.515 4.793 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1OC 1656844245 CMLSKNLXNAYGMR-FQEVSTJZSA-N 442.357 4.750 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 1657158648 WIVYPMPZBDESKA-HXUWFJFHSA-N 435.312 4.735 30 10 IJEE C=CCN(Cc1cccs1)S(=O)(=O)c1cc(Br)ccc1OCCC 1661225936 FKSNBSOEKJLVEA-UHFFFAOYSA-N 430.389 4.676 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1Br 1661288410 DXZFOTIDXYUUCT-NRFANRHFSA-N 441.350 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1665644377 OBIDWSFZNFQADM-PBHICJAKSA-N 436.375 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 1668073070 TWISNNWTYSTBHR-ZHRRBRCNSA-N 426.538 4.712 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)cc1 1669548866 YFDWPAANPJZUSR-UHFFFAOYSA-N 427.932 4.544 30 10 IJEE CCOC[C@@H]1CN(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCO1 1670995354 AGMJNFXUMWLNBH-SFHVURJKSA-N 431.945 4.632 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cnc(-c2ccc(Br)s2)nc1 1673067585 UEADKICQMLLWTH-UHFFFAOYSA-N 445.342 4.854 30 10 IJEE CN(c1ccccc1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C1CCCC1 1675436873 HOFULDWZPVWJCA-UHFFFAOYSA-N 431.584 4.723 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(C)c(Br)cc2C1)c1ccc(Cl)cc1F 1686922271 FKIPBGLVZNEUFK-LJQANCHMSA-N 435.724 4.992 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1csc(CC)n1 1689842189 WAWDKZPYVBYXIU-GOSISDBHSA-N 437.613 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1coc(-c2cccs2)n1 1689863100 MWBYWJSZBNDNFF-SFHVURJKSA-N 447.564 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690258447 GLNBNDISQPSXFG-GOSISDBHSA-N 443.592 4.612 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1690289509 CPUOLVSNEOEBLJ-SFTDATJTSA-N 425.596 4.675 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C(F)F)C1 1690337055 AZQPDJRAIPUQSZ-OAHLLOKOSA-N 426.895 4.586 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C 1690500423 VFKXMSGXAOICNH-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1CC 1690524015 WVLAHBSHAPYPJF-RBUKOAKNSA-N 434.588 4.514 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCO[C@@H]1C(C)C 1690586173 GSIQMQXMLAHXQL-NZQKXSOJSA-N 432.572 4.575 30 10 IJEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1ccsc1Br 1690624163 IEAFUQOVZCTYBB-UHFFFAOYSA-N 439.423 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(CC)cc2)C1 1690691730 KZRPLNAXQJZWQG-OAQYLSRUSA-N 437.975 4.580 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1690752545 LQCHKRTVHDXWLT-HXUWFJFHSA-N 448.036 4.783 30 10 IJEE CCc1nc(CCn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@@H](C)C#N)cs1 1694580529 HTXVBRMNOKWPDB-INIZCTEOSA-N 445.596 4.659 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1705511239 MRVDSUPFIAJVDA-HZPDHXFCSA-N 433.419 4.841 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC[C@](C)(CC)O1 1705669553 PJOFAYCMTGSWJO-FOVJLYNBSA-N 444.526 4.886 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1705684441 QLEHQLHQNYMIMD-HNNXBMFYSA-N 445.361 4.918 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(CC)(CC)C1 1705701114 CMOYLQJFURBOTE-QPPBQGQZSA-N 438.616 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1COC 1705720504 BPDJHHFIGOZGHD-FGZHOGPDSA-N 426.605 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nc(C)cs1 1705720660 MFCSWWINCBJLJD-KRWDZBQOSA-N 446.621 4.566 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[C@H](F)C2)CC1 1705772798 ZZUGNHUZWNUZML-FHWLQOOXSA-N 433.572 4.645 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC[C@H](C)N2CCCCC2)CC1 1705783796 UWTNBCXGNWIAPH-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC=C(C)CC1 1705804824 OGOGECUNSONNOM-UHFFFAOYSA-N 432.572 4.578 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(OC(C)(C)C)nc1 1705836007 ASRIYYYBOUMYJP-UHFFFAOYSA-N 443.498 4.789 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1coc(-c2cccs2)n1 1705838128 DHUBLKVWEOGDEW-UHFFFAOYSA-N 441.944 4.994 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1nc(C)cs1 1705839323 WLGSKJIUWRSHLI-ZDUSSCGKSA-N 432.391 4.898 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CC[C@H](F)C1 1722401236 PZLFAIAQCIWFMQ-VXKWHMMOSA-N 436.575 4.890 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCc1nc(C)cs1 1722407786 ROBNTXHXZQANDT-UHFFFAOYSA-N 444.004 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC1CCCC1 1722498477 APBNXHWJKRHBJA-XXBNENTESA-N 428.552 4.604 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(OC(C)(C)C)CC1 1722504536 NYAJTDXUAARXAC-NZQKXSOJSA-N 430.637 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CCC(=O)NC1CCCCC1 1722513119 REIXRVHIYIJBBP-UHFFFAOYSA-N 446.599 4.735 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1722515091 HXCCWFVJICIRHN-ZJOUEHCJSA-N 447.624 4.596 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1722529185 VKYDFARUDRCJLS-UHFFFAOYSA-N 434.540 4.539 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccs1 1722537081 UZQQHJFBKCLBDX-NRFANRHFSA-N 449.580 4.724 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCN2CCCC)CC1 1722577015 ZKGMYIZSWNTKLP-XMMPIXPASA-N 432.616 4.874 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2c(F)cccc2F)CC1 1722579787 KCMDPTQBNIFBNH-UHFFFAOYSA-N 429.540 4.557 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722586517 HWMXVGZOEQDIQG-UHFFFAOYSA-N 447.627 4.768 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722658705 INABFXJZFRTTRX-BGYRXZFFSA-N 443.611 4.621 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@@H](C)C1 1740539884 WMFZCWULKOBMNY-VCOUNFBDSA-N 431.584 4.626 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(=C)CC1 1740570105 ODPXAWPOQRZXMY-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2ccccc2)C1 1740744873 HFLCXDCCWWLENX-NRFANRHFSA-N 433.394 4.527 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccs2)N(C)C)CC1 1740827323 RRCHLPSXFVFQOI-FQEVSTJZSA-N 425.577 4.529 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1740858064 HPHNXPWFKWIBHR-IBGZPJMESA-N 427.568 4.640 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1Br 1740879091 GMTQEGVUVUTNIH-UHFFFAOYSA-N 443.393 4.505 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(O)CC1 1740923119 ZIOFGFCSLKEWHM-LJQANCHMSA-N 438.597 4.814 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCO[C@@H]1C 1740925602 PKZWGDVIAGDPBJ-IVZQSRNASA-N 444.988 4.532 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(SC)c1 1740939096 QSHLMRNJNGKKGP-UHFFFAOYSA-N 447.967 4.542 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740949206 ABMPIYSUZJWBBQ-YZGWKJHDSA-N 430.980 4.614 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N(CC)CC)cc1 1740966891 RFIVMTSEQJGXIC-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1748655105 QVSCDRVBXICVNV-REWPJTCUSA-N 431.584 4.607 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@@H]2CC)CC1 1748983312 NPFFNVVYBDOLMN-ZWKOTPCHSA-N 446.426 4.833 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ncc(CC)s1 1749029216 OBZWVNGKMHNEMH-UHFFFAOYSA-N 448.621 4.515 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1749039909 FLSLEAKAPPKYKC-LEWJYISDSA-N 428.671 4.654 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(C)C)C1 1749047478 XGPRFOZEXRAJTF-NRFANRHFSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)nc1 1749058342 FQPXYOXKYCVPSB-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(Cc1ccccc1OC)C1CC1 1749089734 DUZFZJJXHBLHMF-UHFFFAOYSA-N 443.345 4.933 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1749106670 ICBAGAJWISMBFH-UHFFFAOYSA-N 435.366 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CCO[C@H]1C1CC1 1749161592 BCGUYZPDOFBACT-UPVQGACJSA-N 430.543 4.755 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCC(OC)CC2)CC1 1749330956 SNUZQZRHMURBKJ-UHFFFAOYSA-N 448.409 4.643 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1749347320 NLCKEESFXSUPND-RDGATRHJSA-N 438.616 4.883 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1749449584 PQCFZEFTSYGGAW-CTNGQTDRSA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(C)CCCS1 1749499846 PJNRSGDWSHZPTP-IBGZPJMESA-N 437.407 4.528 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)SC 1749530953 AKKDADQGVKTVJC-FQEVSTJZSA-N 425.602 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(CC)C1 1749549083 PQPXALSAMCIBHW-LJQANCHMSA-N 437.613 4.550 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@@H](SCC)C1 1749690150 NWMMTGWUFMJPKB-HXUWFJFHSA-N 437.613 4.998 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCSC2(C)C)C1 1749717043 GALJUZBEBKKTTC-FCHUYYIVSA-N 440.657 4.766 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1749749674 OCORHXRTCHQQEB-WOJBJXKFSA-N 442.629 4.516 30 10 IJEE C=CCSCCn1c(N2CCCC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749763691 GKDOWFZVPBOGBA-HDICACEKSA-N 449.665 4.594 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C=C)CC1 1760142048 QALKWFYNPRYILT-UHFFFAOYSA-N 443.389 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CC1CCN(CCC(C)C)CC1 1760213748 ONVKRKIXOJZDSE-UHFFFAOYSA-N 445.655 4.729 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N[C@H](C)c1ccccc1 1760229092 DEJCCOCTGCRGPN-GOSISDBHSA-N 436.991 4.582 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1760286567 ONJYJRFOCMGNDA-JOCHJYFZSA-N 444.695 4.579 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760353764 DUBXEPBNCLAVOQ-GOSISDBHSA-N 427.574 4.588 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC=CO1)C1CC1 1760469667 MPQQFQQBQRXJOT-INIZCTEOSA-N 433.325 4.694 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCOC[C@H]1C 1760478703 PKEAXTSJPBLSOI-NFBKMPQASA-N 438.616 4.885 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC 1760486559 RXDLMQYMLLKKTO-UHFFFAOYSA-N 448.596 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)c2cccc(C)c2)C1 1760546275 LZXZFAXYAIMPJR-PGRDOPGGSA-N 437.613 4.527 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(Br)cs1 1760568451 JGJQSSWKNZVGEY-OAHLLOKOSA-N 443.436 4.509 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1760569638 VBLJEULDXOUORT-UHFFFAOYSA-N 443.375 4.815 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@](C)(OC)C1CC1 1769871804 BYVVIFXGXSQOSV-DHIUTWEWSA-N 443.979 4.552 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1 1858816981 LSQSAPGJMGHUJH-INIZCTEOSA-N 428.920 4.655 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1862435879 HHYKOGPGPKTZPZ-LJQANCHMSA-N 438.823 4.620 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2F)c1 1862490911 GXPGXVXESSGCHL-QFIPXVFZSA-N 434.442 4.755 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2Cl)c1 1862491513 VPBWPKRYEROEBU-OAQYLSRUSA-N 427.928 4.960 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862511784 QDTNBIFWKXVQHL-JOCHJYFZSA-N 441.499 4.863 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(OC)c1 1862525119 USWUQJAZDFQETI-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(Cl)c1 1862536406 XMEFEQWWUDEXQH-NRFANRHFSA-N 427.928 4.907 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(Br)c1 1862540388 MTSIPYPGFJMRLW-IBGZPJMESA-N 428.326 5.000 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862595429 MJWILMHAGZKOMC-FQEVSTJZSA-N 441.455 4.553 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1C 1862605369 RUUOKPICNTWLNC-QHCPKHFHSA-N 435.520 4.925 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 1862665954 SCAPSXYYEBHXJH-HSZRJFAPSA-N 447.487 4.896 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862715727 QVKKMPYCJYVMDP-QHCPKHFHSA-N 433.479 4.720 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862729086 QBSQUTPEJUDMGK-HSZRJFAPSA-N 441.483 4.738 30 10 IJEE CCC[C@H](NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C)C(=O)Nc1cccc(C#N)c1 1867179408 PFIVMWOETSQIAQ-QFIPXVFZSA-N 444.535 4.550 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868247123 XIRNYFMAYVBYIR-OAQYLSRUSA-N 449.942 4.512 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1 1868867673 GJGUOLIIYWBIHZ-BJKOFHAPSA-N 436.983 4.762 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N(CCO)CCCC)nn1-c1ccc(C)cc1 1869990406 WONWPFDBXQDLMM-UHFFFAOYSA-N 429.609 4.864 30 10 IJEE COc1ccc(Cl)cc1C(=O)Nc1c(C#N)nnn1-c1ccc(Nc2ccccc2)cc1 1870143555 QXLHNPJQKATRJU-UHFFFAOYSA-N 444.882 4.797 30 10 IJEE CCCOc1cn(CCCOCC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180499 ISLUCJFZCLERCJ-UHFFFAOYSA-N 429.586 4.548 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870568795 UPMCPBVHCLWKDU-VXKWHMMOSA-N 447.664 4.592 30 10 IJEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O 1871367668 WYOHZRNSTDOYNL-ZBKNUEDVSA-N 442.254 4.989 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)c1 1871381145 QBZFDOUQCABYNL-UUYOSTAYSA-N 436.847 4.949 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC)cc4OC)c3C)C2=O)c1 1871386658 GPQDTAXLWKKQER-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)OCCOc4ccccc4)ccc3C2=O)cc1 1871461707 ZCVDSHOYXRNWIC-IWIPYMOSSA-N 430.456 4.612 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OCC(=O)OCCOc4ccccc4)c3C)C2=O)cc1 1871461933 FWWYNPRCWWRLLP-JLPGSUDCSA-N 444.483 4.921 30 10 IJEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520349 MIIZBDKJZMIGGY-UHFFFAOYSA-N 443.596 4.766 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2)nc(Nc2ccc(C(F)(F)F)cc2)[nH]1 1871681751 BPXNQXNOMKYGHJ-UHFFFAOYSA-N 440.473 4.846 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 1872058906 CBZLHXOLLKXXMT-NRFANRHFSA-N 436.524 4.647 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1872278103 IMGAKIIOUKCFDW-DEOSSOPVSA-N 442.625 4.858 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872282098 OJUIAYJHNJVZNC-SCLBCKFNSA-N 444.981 4.771 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2cccc(Br)c2)C1=O 1873228042 BDMQPOKMZNUDEG-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(C#N)cnn1-c1cc(F)cc(F)c1 1873685133 YCCGAFZDWWZPND-SNVBAGLBSA-N 437.233 4.735 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(C(C)C)cc1 1874210297 PTDFAGRQYOVSDD-QVGKIPNLSA-N 447.608 4.912 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874264695 LBYKWUZGGZBGOO-YDZHTSKRSA-N 444.944 4.775 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccccc1C(=O)O 1874323303 ITXGASLDNZTDOS-WYMPLXKRSA-N 436.537 4.723 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874342580 XMXDIGSVOFPIID-WSDLNYQXSA-N 427.917 4.981 30 10 IJEE CCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874345327 JGAOODMVKSZYBL-LFVJCYFKSA-N 440.569 4.690 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)cc1 1874442886 NAFCFRLDUQGXFT-PGLVWIQMSA-N 425.533 4.509 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1 1874504447 RXFLYLNSUKZFMJ-YDZHTSKRSA-N 427.961 4.805 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2F)c1C 1874510521 ROQAMONSURZEBW-OPEKNORGSA-N 443.523 4.910 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2c(F)cccc2Cl)o1 1874513434 XMZFMRQYFRBMSO-LSFURLLWSA-N 436.896 4.748 30 10 IJEE O=C(COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1)Nc1ccc(F)cc1 1874596770 CCMRNKCRRIASIS-ONNFQVAWSA-N 433.435 4.511 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3ccc(OC)cc3)n21 1875046317 KUIZTRXOURAVCU-KRWDZBQOSA-N 432.590 4.575 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1 1875098947 OMVFQFICAHWHDC-RIYZIHGNSA-N 432.472 4.757 30 10 IJEE CC1(C)OB(c2ccnc(NC(=O)OCC3c4ccccc4-c4ccccc43)c2)OC1(C)C 1880132615 NZDWCKMYDVHCFY-UHFFFAOYSA-N 442.324 4.742 30 10 IJEE CN1CCN(C(=O)c2cccc(C(F)(F)F)c2C(F)(F)F)[C@H](c2ccc(F)cc2)C1 1891125588 XJRPIVAMORRLKX-INIZCTEOSA-N 434.355 4.992 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)cc1 1941497504 RXXFQWWHKBMHBJ-MWTRTKDXSA-N 431.533 4.728 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CC2 1949368108 XKKMEUJCCYMXSM-NRFANRHFSA-N 434.541 4.750 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NCCCB2OC(C)(C)C(C)(C)O2)cc1 1999365362 OVVBLDVTFDXQPG-PMERELPUSA-N 438.399 4.973 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1F 2079025865 QUHUEMXBTWXPMO-HJYABADFSA-N 449.214 4.680 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(F)c1 2079137192 KDUBQTGTVLOGQF-AWEZNQCLSA-N 431.199 4.744 30 10 IJEE O=C(O)c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079144617 CFEHKUZEYLOVAA-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C#N 2079937550 VWPCNJDMGVWKQJ-SFHVURJKSA-N 435.309 4.634 30 10 IJEE CC[C@@H](c1ccc(OC)c(F)c1)n1nc(C2(C)CC2)c(C#N)c1I 2080112016 CEMRPBNOUDMUPX-AWEZNQCLSA-N 439.272 4.558 30 10 IJEE N#Cc1cnc2c(-c3ccc(I)cc3)c(C3CCCCC3)nn2c1N 2081478182 KHHLQHGTAMKLOU-UHFFFAOYSA-N 443.292 4.502 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)[C@@H](NC(=O)OC(C)(C)C)COC2(C)C)c1 2081890268 OAURZLRIZVSHKP-UUOWRZLLSA-N 445.560 4.701 30 10 IJEE O=[N+]([O-])c1cc(Br)c(OC[C@@H](CS)C2CCC2)c(Br)c1 2145982973 SUSVRESSVSYBKF-VIFPVBQESA-N 425.142 4.845 30 10 IJEE CC1(C)OB(c2ccccc2NC(=O)C2CC3(CC(OCc4ccccc4)C3)C2)OC1(C)C 2160287248 YOZYEAQVNZBBOV-UHFFFAOYSA-N 447.384 4.700 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182309776 QUGOEWSCRMWUJW-UIOOFZCWSA-N 446.444 4.533 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186707389 DWFQMSAXZQDTLE-GOSISDBHSA-N 442.254 4.713 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC[C@@H](N)C#Cc2ccccc2Br)CC1 2235747116 NMSSSRLLHGIGMO-CUYAVPTFSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](N)C#Cc3ccccc3Br)C[C@H]21 2235750506 WGMSOBZYPMJUDM-RAUXBKROSA-N 433.390 4.554 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2261975528 OQYXYBFJHIEBFX-YHQISMHQSA-N 435.564 4.817 30 10 IJEE C=CCCC1([C@H](O)Cc2cc(F)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2266239290 VGXLMRIIPOTCFH-QGZVFWFLSA-N 428.342 4.695 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C(=O)C#Cc3cccc(Br)c3)C[C@@H]21 2296220245 WFBXHHSFLJALRV-LNLFQRSKSA-N 432.358 4.795 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C 2296289193 PALUZDGZYYHGFU-OXQOHEQNSA-N 445.348 4.717 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccco2)c1 2296945742 CNOTUXLAJJLDPQ-HXUWFJFHSA-N 446.484 4.833 30 10 IJEE COc1ccc(N2C(SCC(N)=O)=NC(=Nc3ccccc3C)C23CCCCC3)cc1 2297730641 CLVPKNCAJXCCBF-UHFFFAOYSA-N 436.581 4.831 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2305317190 SQCXMSKYWTVHHG-VWEIPLKFSA-N 428.573 4.601 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2314437481 NNPZAYCECDQJCJ-UHFFFAOYSA-N 431.400 4.577 30 10 IJEE C[C@@H]1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317353626 JBYKBPOUIWCYIX-AEFFLSMTSA-N 430.354 4.503 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2CC(C)C)cc1OCc1cccc(Cl)c1 2321888341 LAPISYFKORNIET-UHFFFAOYSA-N 430.961 4.889 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1OC 2322054676 JISSDDUXHPVKLI-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE Cc1c(OC(=O)c2ccncc2)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2322828482 OINOWQSIEGWERU-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c(C)c1 2323200457 UZZNJXQCALFMEN-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccn1 2326072233 RFSPYHJVZPPZHO-UHFFFAOYSA-N 427.961 4.889 30 10 IJEE COc1c(Cl)cc(C=Nn2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 2326809741 APMZBCSLHIVKOG-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cc(Cl)ccc1O 2326991907 CWGJHTIWPPMMPY-UHFFFAOYSA-N 430.961 4.951 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2328576700 CNVKAYGYUHRZNC-UHFFFAOYSA-N 437.525 4.531 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccs1 2330651535 KJQPNBGPVSSWDP-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 2330785557 GWYNVKXDSGFDFT-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)cc1 2330889313 WYGIATBEAJZPNR-NRFANRHFSA-N 449.580 4.668 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccc(F)cc1 2331326283 SAZHXXSXPNSFGF-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2O)cc1C 2331364730 RFHBHCHIJKFLOR-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331397677 VHTYNTQOQHZSKW-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE Cc1cc(Br)sc1CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2339428841 NDYWXSJSTSIEQB-UHFFFAOYSA-N 443.603 4.779 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339578146 CPHBZSGQXOPRFI-QRVBRYPASA-N 442.365 4.503 30 10 IJEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1(CNC(=O)OC(C)(C)C)CCC1 2339583924 ZVTFGMRQYINKHX-UHFFFAOYSA-N 443.397 4.610 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588622 LJSCHWHSJHYGRU-RIBQSRIRSA-N 443.397 4.784 30 10 IJEE C[C@H]1[C@H](C)N(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339601206 VVLMNSGWZRXURN-IZGBJUCLSA-N 443.397 4.560 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc(F)c(F)c3F)cc(C)c2c1 12241699 INSQPZCJAYZYMM-UHFFFAOYSA-N 435.409 4.887 30 10 IJEE CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C#N)cc1Br 14041340 XTWCFCCIIHVDMC-UHFFFAOYSA-N 432.343 4.626 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccnc2)c1 33371876 GEYWQXXXFPVOIP-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1 35514570 ROZDMXRGUZBGMI-QFIPXVFZSA-N 428.419 4.642 30 10 IJEE C=CCC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 36146710 KXVWLNHJRHJJMQ-GGAORHGYSA-N 428.960 4.671 30 10 IJEE CCC(=O)Oc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)S2)cc1 96576974 WBCFRPXGZRVMMB-GZTJUZNOSA-N 446.912 4.564 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 102525164 HJKONSBHYDJXIJ-HQMFNGAOSA-N 434.319 4.760 30 10 IJEE COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2cccc(Cl)c2)C3=O)cc1 102732649 XRPWGTCINHUAAL-CIAFOILYSA-N 442.876 4.733 30 10 IJEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926262 WTUSRJIYSVXBLT-RUZDIDTESA-N 438.483 4.669 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc3ccccc23)cc1 170044934 PWNCVFNQLWVSGM-RDPSFJRHSA-N 443.499 4.606 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)c1 170047795 CLDPBCFSMQAGGE-XMMPIXPASA-N 442.515 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170076080 GOCSIBVKJPJGDL-KKSFZXQISA-N 436.895 4.579 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccc(O)c2)ccc1F 170079886 DQSYOBADKHPPDZ-OAQYLSRUSA-N 439.389 4.901 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccco2)c1 170097972 QYQXVGRKJLOQQC-IBGZPJMESA-N 438.505 4.530 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c(C)[nH]c2ccccc12 170103821 MXBMFLGUFWBYHW-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccco1 170123412 YSYTVZWSMAGXNW-JOCHJYFZSA-N 429.428 4.813 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccnc1 170184794 MXYGTFJTEKGNNU-OAQYLSRUSA-N 432.451 4.629 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccncc2)c1 170212362 GWCNYEDTTVGZRI-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccc(F)cc1 170243448 ZERRKDIMLVXEPI-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(Cl)c(Cl)c1 170246664 MYVGGIXOPYMCDM-LJQANCHMSA-N 432.303 4.917 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)cc1 170274464 OBTHLXFENUDJHB-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1C 170289927 IYVJJYWMGPFIPU-QFIPXVFZSA-N 428.444 4.560 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)c1 170307058 NBBSVZMNSCTDIR-LJQANCHMSA-N 427.840 4.622 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccs2)ccc1O 170414459 XSXMQMUKGVCNFQ-IBGZPJMESA-N 441.530 4.692 30 10 IJEE CC(C)Oc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170474931 FTROPTBIKQUAMQ-QHCPKHFHSA-N 446.503 4.916 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 407159460 NJAOCSHWVVLZII-HOTGVXAUSA-N 429.403 4.737 30 10 IJEE N#Cc1cccc(NC(=O)CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 443452795 GGOHBEBTHFRZTH-UHFFFAOYSA-N 429.867 4.998 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(OC)ccc2F)nnc1-c1ccc(Cl)cc1 446483127 AIAWZVWRZJMLFR-UHFFFAOYSA-N 432.908 4.663 30 10 IJEE CC(C)(C)c1nn(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c(O)c1CCC#N 447792850 AKIYYNFRQUMCFX-HSZRJFAPSA-N 442.563 4.517 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 476117773 KDLRRFHUOFRWMI-UHFFFAOYSA-N 432.561 4.717 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(C)c2)c1 526607181 NNTSIWCIXDUOJX-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CN(C)c1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 526660908 PABLPCQMPSRJTP-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C2CCOCC2)CC1 548854058 SEADQMRZFXQYLV-IBGZPJMESA-N 440.588 4.646 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 549270604 HEAZIHKGMOGNSA-GOSISDBHSA-N 439.585 4.687 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 561238883 XVFJVVDJKLSKKU-UHFFFAOYSA-N 434.569 4.542 30 10 IJEE COc1cc(OC)cc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)c1 586227913 LIRZLTILFWPNDZ-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 710404740 NMILNVNNVWITGT-LBNVMWSVSA-N 447.623 4.576 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(Cl)c(Cl)c1 731310425 HWXGXVLVGSNSJA-INIZCTEOSA-N 438.336 4.679 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1=S 742160215 VROIEPSSTBGXDG-HRAATJIYSA-N 442.535 4.965 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(Oc2ccccc2)o1 748904837 CWXDHIANOIMPNQ-KRWDZBQOSA-N 434.448 4.573 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 796778146 FRCGJKHRYAVBDR-SCLBCKFNSA-N 446.475 4.566 30 10 IJEE COc1cccc(C(=O)/C(=C(/S)Nc2ccc(OC(C)C)cc2)[n+]2cccc(C)c2)n1 811725165 YLDVCYNSUSTMFT-UHFFFAOYSA-O 436.557 4.524 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl)c1ccccc1 1134861972 LQRWJKIJQXUVKB-SANMLTNESA-N 446.377 4.640 30 10 IJEE C=CCCCCCCCNC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1141777584 LXXSMRXRKGLUJK-OAQYLSRUSA-N 443.588 4.721 30 10 IJEE C=CC1(CC(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)CN(C(=O)OC(C)(C)C)C1 1147942270 KAMLFXHKMBESIP-LBPRGKRZSA-N 433.496 4.542 30 10 IJEE N#Cc1ccc(S(=O)(=O)CCS[C@H](c2ccccc2)c2ccc(Cl)cc2)nc1 1164489202 FGMIYABPAPYMAU-OAQYLSRUSA-N 428.966 4.903 30 10 IJEE C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1ccc(OC)cc1 1167116703 VCQMKXZPHWCSKV-UHFFFAOYSA-N 447.510 4.713 30 10 IJEE Cc1nc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)sc1Cc1ccccc1F 1205223874 GMSMMMFSROSDIG-HXUWFJFHSA-N 436.512 4.659 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1)c1ccc(F)cc1 1214210242 POZZJOQHOHBWEU-HSZRJFAPSA-N 431.467 4.973 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 1221906887 MLJQODJTYAOCOW-FQEVSTJZSA-N 431.939 4.508 30 10 IJEE CC(C)CC[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(Cl)cc1 1224065123 HZEORIYTDHMZCU-YSIASYRMSA-N 448.995 4.876 30 10 IJEE C=CCN1CCC(NC(=O)N(C)[C@H](c2ccccc2)c2ccccc2Br)CC1 1226843619 PXRZBTYXCMBLBA-JOCHJYFZSA-N 442.401 4.830 30 10 IJEE Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)cc1 1264082284 CAWJBCQPKRRPDK-MRXNPFEDSA-N 436.924 4.635 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@H](C(C)C)C1 1286316139 SCRHZBAVIUDPOY-IBGZPJMESA-N 434.556 4.928 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286419701 CZCAGMYOJMDKEW-TUFLPTIASA-N 436.987 4.971 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OC1CCCC1 1286580002 SZCSSVCDMCXYIG-OAQYLSRUSA-N 425.577 4.687 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1286655451 MQABHJVCTASYJD-NHCUHLMSSA-N 446.643 4.976 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286682581 AVXYOAGKELQVCH-IRLDBZIGSA-N 437.588 4.509 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286682583 AVXYOAGKELQVCH-RBBKRZOGSA-N 437.588 4.509 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CC1(O)CCCCC1 1286754569 RVHHWQKXFAYCRT-UHFFFAOYSA-N 431.378 4.581 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286827100 CTDOSMJVRPOOKC-LIRRHRJNSA-N 436.984 4.661 30 10 IJEE CC(C)(C)OCc1cccc(Cn2c(C3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1287079080 BVFYFPWZPOANNC-DEOSSOPVSA-N 425.552 4.741 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC[C@@H](C)N2CCCCC2)cc1 1292494601 GBKYDTJRIXFTJH-OAQYLSRUSA-N 434.632 4.902 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCC(F)(F)C1 1300816988 ZYKGZFWAHMDQJY-IIBYNOLFSA-N 434.918 4.938 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1300843179 CTFYXHYMKCOTEZ-QGZVFWFLSA-N 447.352 4.693 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1301028822 BAFJUUUVTIRVMZ-QGZVFWFLSA-N 438.906 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301146045 PWWDQWRVCFQSLE-UHFFFAOYSA-N 449.574 4.656 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCN(CC)C(=O)C1 1301176041 NYEHZAZIAYIVGB-GOSISDBHSA-N 441.645 4.546 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[S@@](=O)C(C)(C)C 1301280113 CXSUDVYNNUEJQJ-SSEXGKCCSA-N 446.617 4.982 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1301357851 SAGPAVQVKVOFBY-QGZVFWFLSA-N 433.622 4.911 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1301438651 WVVVIEMRBYMJMU-TZMCWYRMSA-N 429.284 4.837 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1301606029 HPNQDZCHUJNHDR-UNMCSNQZSA-N 437.613 4.797 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)C)CC1)C(C)(C)C 1302582066 DVLZLTMFGJVYIA-OAQYLSRUSA-N 440.661 4.515 30 10 IJEE N#Cc1cc(F)ccc1S(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 1309092854 CHDJLRFBQQEDLK-UHFFFAOYSA-N 426.435 4.506 30 10 IJEE C=CCOc1cccc(NC(=O)NCC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 1310188420 MLKPAUNMODVNDS-OAQYLSRUSA-N 439.556 4.899 30 10 IJEE CCOC(=O)C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(OC)c1 1310292490 GJJDKXJUIFLCEK-OXJNMPFZSA-N 441.553 4.763 30 10 IJEE N#Cc1ccc(NC(=O)NCCc2cccc(OCC(F)(F)F)c2)cc1Br 1310712501 DPEMFCOMINEOIB-UHFFFAOYSA-N 442.235 4.626 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(OC)cc2)cc1 1311302725 PJGZJEOQUXGWCN-QFIPXVFZSA-N 435.524 4.502 30 10 IJEE C=C[C@@H](C)ONC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1312946036 DJQXRACRFCCNPA-MRXNPFEDSA-N 434.367 4.916 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2ccccc2)C1 1321312162 SVGMJKIGGXIUNN-CVDCTZTESA-N 436.531 4.581 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C/Sc2ccccc2)c(C(=O)OCC)c1C 1352793649 SNBNXTXOQAEGLB-ACCUITESSA-N 431.535 4.821 30 10 IJEE C=CCc1cc(CNC(=O)Cc2cc(Br)ccc2Cl)cc(OC)c1OC 1356304986 OUZMNAVXTPSQMK-UHFFFAOYSA-N 438.749 4.707 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1358909929 XBIOCRMLKOLQDS-UPVQGACJSA-N 429.568 4.748 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1358933078 GYRDGJLIBAOTBX-JOCHJYFZSA-N 433.625 4.934 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1359004890 NNGYTRQRWLGMRW-OFNKIYASSA-N 449.624 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1c(F)cccc1F 1359067267 HCQOQVXHGQKGFD-JOCHJYFZSA-N 427.886 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cccnc1OCC 1359111251 SWLQKLJNIQDREJ-UHFFFAOYSA-N 430.556 4.681 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(C)(C)C)C1 1359127227 LOOPZHRZYSJKSL-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2Cc2cc(C)on2)CC1 1359162350 NJOBUPFWWVNKFU-UHFFFAOYSA-N 437.544 4.634 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1359173349 DCZTVYOQHHVIFZ-MYGHRHJXSA-N 448.608 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1359190780 CEVYDZAAIWADEL-GOSISDBHSA-N 445.652 4.963 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1359199270 QEPIWOYFHUDLMU-OAQYLSRUSA-N 439.648 4.756 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(Cl)c1 1359224196 JFFZNPZFDCSRLS-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1C 1359275083 JTSHWUMUFCVMOR-VQIMIIECSA-N 440.389 4.862 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(CC)s2)C1 1359323119 IPXSTKNESIOUQG-LJQANCHMSA-N 443.016 4.976 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1360163642 DLUYSNCTTZIPSR-AREMUKBSSA-N 442.600 4.956 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)c(C)o1 1360997465 HSQAPRVMXJLHSR-LEHBWIKQSA-N 433.556 4.559 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)cc(OC)c1OC 1434919157 IRMHAZDHROVZKZ-UHFFFAOYSA-N 433.552 4.981 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)Cc3coc4c(Cl)c(Cl)ccc34)c2C#N)C1 1437999347 INEWKQAEYKQYLN-UHFFFAOYSA-N 448.331 4.759 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)Oc1c(F)cc(C#N)cc1Br 1438001785 ZDZUHNIMMONFDB-YWEYNIOJSA-N 429.039 4.824 30 10 IJEE CC(=O)N[C@@H](CC(=O)OCc1cc(F)c(C(F)(F)F)c(F)c1)c1ccc(F)cc1F 1439482331 CQRTWROBRHDJOL-INIZCTEOSA-N 437.311 4.573 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccccc1 1439953985 KOXGSRXUGFICDQ-PRAQEBQASA-N 428.554 4.567 30 10 IJEE Cc1nnc(COc2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)o1 1443535692 FWCDSCNAFJVTHT-UHFFFAOYSA-N 425.448 4.825 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CCO)cc1 1449837129 GURPCKYQRONWIF-HNNXBMFYSA-N 447.457 4.745 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N2CCN[C@@H](c3ccc(F)cc3)C2)cc1Cl 1455440339 DYWCSOUMEOVJOP-OAQYLSRUSA-N 435.886 4.930 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 1460780466 HDKOCPMEQSFCBT-SUMWQHHRSA-N 429.314 4.861 30 10 IJEE C=CCN(C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)[C@@H](C)COC 1461521817 FHKKGACFGXFDDF-ZDUSSCGKSA-N 441.881 4.696 30 10 IJEE C=C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1 1461549535 NGBXBBHTDJZMLS-HXUWFJFHSA-N 428.326 4.772 30 10 IJEE C#CCN(C(=O)CCc1nc(-c2ccc(OCC)cc2)no1)[C@H]1CCCc2ccccc21 1463009960 SPVKJIXEDUGUMC-QHCPKHFHSA-N 429.520 4.607 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 1466193970 GNJOKBFETUAQLI-JOCHJYFZSA-N 444.535 4.763 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)c1 1468405951 RQHKBXDMJJNAMM-UHFFFAOYSA-N 442.899 4.590 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 1468941175 YTXZHGMFVJJGBM-FQEVSTJZSA-N 440.590 4.775 30 10 IJEE C=CCCC[C@@H](NC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)c1ccccc1 1471588531 HZWYHIFPWPPLPW-LJQANCHMSA-N 426.561 4.914 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)c1ccccc1 1472274877 CZTRNDGWDGWBCI-WRGVRERRSA-N 428.554 4.801 30 10 IJEE C[C@@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)c1ccc(-c2cccc(C#N)c2)cc1 1477998335 CXAQBQMBQNASRG-HXUWFJFHSA-N 438.575 4.685 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccsc1 1507542820 SOFREGDOFXDISA-QGZVFWFLSA-N 428.989 4.819 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1507557416 WQYFRLSUJGVBHR-HSZRJFAPSA-N 436.531 4.739 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCCCN1CCCCC1 1507770676 WLTBSJFYVDQORM-HHHXNRCGSA-N 449.643 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccoc1 1507810545 XHBCGKIEOMIGQZ-QPPBQGQZSA-N 436.556 4.685 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1507849015 UARBJQABSNQAQM-JOCHJYFZSA-N 449.580 4.724 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1507929847 VIIYAFXBRSIQAW-HXUWFJFHSA-N 434.519 4.762 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC(C)(C)c1ccccn1 1508003219 UXOFOHSYLRMZHO-UHFFFAOYSA-N 438.579 4.829 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)C1 1512062519 FUBSIRFHAYCSCI-PMAPCBKXSA-N 425.602 4.639 30 10 IJEE CCCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C[C@@H](C)C#N)CC1 1514356892 AZUMOELABACYPB-SFHVURJKSA-N 444.624 4.569 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)Cc2cccs2)C1 1516405079 CYLMIEBFJHMNSA-WIYYLYMNSA-N 435.597 4.762 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(OC)c(Br)c(OC)c2)cc1 1529654855 MEWMHTVAATUNGY-UHFFFAOYSA-N 448.313 4.728 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCc1nc(C)cs1 1539005531 ZOPYHZQGNTVTPA-GOSISDBHSA-N 446.580 4.846 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1C[C@@H](C)C[C@H](C)C1 1539154593 LGJIWEXMICKXGQ-PMACEKPBSA-N 439.673 4.713 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCCCn1ccnc1C 1539392452 QMNVPORXFZRIFM-UHFFFAOYSA-N 434.563 4.700 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccsc1 1539499164 GKODYUAJAZRPBZ-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCn2ccnc21 1539652449 UDLCOVTXLVDTQA-GOSISDBHSA-N 442.514 4.723 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OC(C)(C)C)CC1 1539771947 ADBIZZWQTPPUHT-UHFFFAOYSA-N 445.995 4.684 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N(C)Cc1scnc1C 1539819373 CEFBMKQCTOLFCH-UHFFFAOYSA-N 436.006 4.733 30 10 IJEE C=CC[C@H](C(=O)NCc1ccc(I)c(Cl)c1)c1ccccc1 1539873573 XTWWHTSSWPCUBD-HNNXBMFYSA-N 425.697 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539930653 ALIDOLRQPXFOHC-LOSJGSFVSA-N 448.652 4.562 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CCC1CCOCC1 1540120739 VJOHPISIWUZVID-HSZRJFAPSA-N 440.588 4.538 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1OC 1540136930 MYGCNOLPAIHDFB-NZQKXSOJSA-N 435.547 4.795 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1CCC(C)(C)O 1540158514 KVFPTOBPUBMGFN-UHFFFAOYSA-N 439.785 4.700 30 10 IJEE Cc1cc(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)nn1-c1cccc(C#N)c1 1542590154 CDIUODNWQQHRQF-HNNXBMFYSA-N 426.442 4.995 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@H]2c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 1557411558 SPPJWLTTXVCCEH-LJQANCHMSA-N 442.947 4.989 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)C(C)C)c1 1561087693 ZBASBVYPKUXJLC-WZONZLPQSA-N 428.598 4.792 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1565445144 SGSPTUGMLHSQAW-FYYLOGMGSA-N 439.600 4.889 30 10 IJEE C=CCN(C(=O)[C@H](c1ccncc1)C1CCCCC1)[C@H](Cc1ccccc1)C(=O)OCC 1585020193 HPAHEAXTMXSLTA-RPBOFIJWSA-N 434.580 4.935 30 10 IJEE Cc1nc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)sc1Cc1ccc(F)cc1F 1586257206 DPOBQDNUYROQNT-UHFFFAOYSA-N 449.486 4.939 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)C(F)(F)F)cc1 1587315566 RBWTVXVFZHCCOI-NRFANRHFSA-N 440.421 4.565 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1587865651 UGCVFQAAAMQKAQ-ZEQRLZLVSA-N 433.644 4.682 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1588020550 RATJMDYQCWSDOS-UGKGYDQZSA-N 426.630 4.790 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1csc2ccccc12 1588171092 UJZBFGFZRKYJKL-IFMALSPDSA-N 432.593 4.533 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@H]1Cc1cccs1 1589097521 RKLVAQGDDMCELV-NRFANRHFSA-N 436.650 4.703 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCSC[C@@H]1C 1589506459 WLMHGEGBNZHKNF-KHYOSLBOSA-N 436.984 4.661 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1ccc(OC)cc1 1589506613 YQXSGUZBINULQO-NFBKMPQASA-N 436.556 4.863 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C1CCC1 1589581955 WXQMGNNMIAEZEL-VGOFRKELSA-N 428.602 4.549 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(Cl)c1 1595250569 HKCMOMVEOAZMQW-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)C2CCCCC2)C1 1595681426 QWPFREAQMJUSEL-ZJSXRUAMSA-N 445.007 4.711 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2(COC)CCC2)C1 1595705565 BCMYTYRTUHBMJA-SFHVURJKSA-N 430.980 4.587 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2O[C@H](CC)C(C)=O)S/C1=N/c1ccc(O)cc1 1614237045 KWVBJTKPAHIEAQ-QYSTZVDOSA-N 436.533 4.929 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](C)c3ccc(I)cc3)cc21 1616146478 MZJXQYLCRUPRAH-ZDUSSCGKSA-N 431.277 4.569 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)Nc2ncc(F)cc2Br)c1 1617562352 BZYPDRAKXQUXAH-UHFFFAOYSA-N 426.245 4.686 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 1618002940 SRZRLXQZYBQQPU-ICSRJNTNSA-N 444.620 4.681 30 10 IJEE C#CCCCS(=O)(=O)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1622070007 IWGOZOWNMUEFKQ-NRFANRHFSA-N 439.499 4.891 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)C1 1622922183 GDQVMDZUSYJMHI-AWEZNQCLSA-N 429.879 4.617 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 1624048567 ZQDRMTNJUIDBSR-LJQANCHMSA-N 428.414 4.716 30 10 IJEE CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1=O 1625291946 GDJRLDCDUXSVLS-DOTOQJQBSA-N 425.916 4.980 30 10 IJEE CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1628894922 FVTNRTIQWIMNPF-OAQYLSRUSA-N 446.378 4.807 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)s1 1629485149 DBORKDCLDSKQQN-UHFFFAOYSA-N 432.958 4.638 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O)c1ccc(Br)cc1 1636541272 BMOAKRZQFSQDIS-LJQANCHMSA-N 438.325 4.568 30 10 IJEE C=CCCCCNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1639243437 MULRJZFVFCSWFK-UHFFFAOYSA-N 427.353 4.880 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1 1641286794 HVPAHCVEZIIGJC-NDXORKPFSA-N 429.561 4.636 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)c1ccccc1 1646627214 YXZYXFXELYKELV-WJOKGBTCSA-N 434.517 4.801 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)C1 1649662681 FOHITGWZODDCAR-SFTDATJTSA-N 439.629 4.886 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(O[C@@H](C)c3ccccc3)ccn2)CCCN1C(=O)OC(C)(C)C 1651137404 OIVIGRIUEXKSPY-AFMDSPMNSA-N 449.551 4.953 30 10 IJEE C=CCn1c(SCc2cccc([N+](=O)[O-])c2Br)nc2sccc2c1=O 1651648152 GQUDYDOKBSFFHT-UHFFFAOYSA-N 438.328 4.607 30 10 IJEE Cc1c(Cl)cnc(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)c1C#N 1651938814 DHUMFEVVJLXOCO-PKOBYXMFSA-N 430.911 4.551 30 10 IJEE CC(C)(C)[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1652883024 CPTMYGHIBAVTOK-STZQEDGTSA-N 440.632 4.551 30 10 IJEE Cc1cc(-n2cccn2)ccc1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1653690912 ADCGQGGIUIHRNF-UHFFFAOYSA-N 426.451 4.914 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CCCCC3 1655979738 VBKMUXSYXZQKLS-IAGOWNOFSA-N 431.671 4.983 30 10 IJEE C=C(C)Cn1c(S[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 1656352356 SBBAEQDERYUTOT-QGZVFWFLSA-N 448.470 4.941 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccc(F)c(F)c1 1661500564 YXSPYKIZWLVZAP-HNNXBMFYSA-N 437.251 4.776 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1662379045 QNMDFZPEMDEHAG-GOSISDBHSA-N 445.434 4.617 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCC[C@@H]3[C@@H](C)NC(=O)OC(C)(C)C)cc21 1664929995 ZETPISKPOGSMBN-VQIMIIECSA-N 427.549 4.522 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 1665468285 AUJKDLFTESGEIS-MKXGPGLRSA-N 441.572 4.822 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cnc1O)N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 1666272855 DAPJWGFXSSLMTI-ZDUSSCGKSA-N 436.287 4.852 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)c1 1667082948 NYBSBEQIFGUKQD-LJQANCHMSA-N 441.572 4.638 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C)c1ccccc1 1667274312 BJIFSVKTSRAAFD-OAQYLSRUSA-N 427.570 4.655 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cn(C)nc1C(C)(C)C)c1ccc(C(F)(F)F)cc1 1668177941 ZTLLEJYSFHCQIW-MRXNPFEDSA-N 429.508 4.722 30 10 IJEE C#CCN(C(=O)Nc1cnc2c(c1)CCCC2)[C@H]1CCOc2ccc(Br)cc21 1670190317 LEQGNZAMWPZCFJ-FQEVSTJZSA-N 440.341 4.714 30 10 IJEE C=CCC1(NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)CCCC1 1670382995 NAWMOBWNSWNTPO-LOSJGSFVSA-N 438.637 4.771 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1 1670678384 FFGCPKCJQVZWCF-LAUBAEHRSA-N 429.923 4.981 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC 1670809058 LFWQNJPTDQVFPE-UHFFFAOYSA-N 439.556 4.587 30 10 IJEE Cc1ccc([C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)[C@H](C)S(C)(=O)=O)cc1 1671685826 FGRNGRJARRKHDT-KSSFIOAISA-N 433.599 4.522 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1Br 1671735692 CWZLLKXXSANVSK-MRXNPFEDSA-N 442.235 4.585 30 10 IJEE N#Cc1ccc(CNC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1Cl 1675917462 BCIZQGQJZFUNLS-UHFFFAOYSA-N 425.916 4.642 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(Br)cc1 1680628739 BPMGBFMEOAJUMP-MSOLQXFVSA-N 431.305 4.864 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1682356168 BDSPRQCBHWLPAP-LPHOPBHVSA-N 449.389 4.667 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1)c1ccc(Cl)cc1 1683675360 AAZVQMVUTPJCFD-IAGOWNOFSA-N 433.737 4.504 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 1683979769 RKHLIRXOQUIQQI-MDASCCDHSA-N 425.342 4.806 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1)c1ccc(Br)cc1 1684980350 BSSSAWPLWCZNIB-DYVFJYSZSA-N 431.334 4.615 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 1687036427 NALPJLKARRYWKN-KDXIVRHGSA-N 445.579 4.963 30 10 IJEE C=CCCCN(CC)C(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1687792269 IVSGLHMZOSILEN-NLFFAJNJSA-N 443.588 4.888 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1CCCCO1 1689833855 RJQKYFKPSKWSND-RDJZCZTQSA-N 449.368 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccsc1 1689864715 HBSFYWXWSQJXBH-CQSZACIVSA-N 435.380 4.926 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H]1N(C)CCCC1(C)C 1690088106 BULRUZZTCMKMKD-DENIHFKCSA-N 425.596 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1([S@](C)=O)CCC1 1690258668 OWPGYHWFAFCQLS-ZQHDKMAOSA-N 446.686 4.835 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C(C)C)C1 1690306340 UAPMHMPGPFVHAM-IBGZPJMESA-N 439.000 4.908 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690368680 HUFJBWRHVAGJLH-HKUYNNGSSA-N 445.405 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1690430402 KEAJXFHFEDHUAF-IEBWSBKVSA-N 431.625 4.887 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690464784 KKFGCEPLPONAHT-UXHICEINSA-N 433.641 4.963 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@H](C)C1 1690475006 BMAXCOXJCSCAKK-OKILXGFUSA-N 439.785 4.941 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc(C(C)(C)C)cs1 1690533574 ODKZPQZIHLKEDX-UHFFFAOYSA-N 425.602 4.898 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1690567603 IQIHFSODYBDCGK-LJQANCHMSA-N 443.567 4.565 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1Cc1cnc(C)s1 1690605472 LLXUJBCZUKZGPF-UHFFFAOYSA-N 435.553 4.595 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCc2sccc2[C@@H]1CC 1690630186 ZHIPTTRZZSGUQX-HNNXBMFYSA-N 432.391 4.807 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1690634671 MGVPXOXSQPASLG-GOSISDBHSA-N 431.987 4.872 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2cccs2)C1 1690691929 NSKOXQZHLVTISY-KRWDZBQOSA-N 444.988 4.693 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)c2ncc(C)s2)c1 1692961848 AMYDUBNPTATKCV-MSOLQXFVSA-N 438.601 4.781 30 10 IJEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1694992120 UQTPVUQQGPZSBP-WAYWQWQTSA-N 445.552 4.520 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCSC(F)(F)F)CC1 1698491484 CXEXPSKWVINTHG-UHFFFAOYSA-N 446.502 4.876 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1nc2c(s1)C[C@H](C)CC2 1705487088 RTNHCYIRYUZLLY-CABCVRRESA-N 425.989 4.686 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705689934 DWZQITJWIHYCCG-IBGZPJMESA-N 449.368 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC1 1705696266 MIWUKIIIUKENEH-MJGOQNOKSA-N 431.378 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H](C)c1ccco1 1705709510 QJVFSRAKJOHWLR-ROKPMTFOSA-N 436.556 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)cc1 1705720654 LUTDKIZJQGTMIA-OYRHEFFESA-N 439.604 4.808 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1705734004 ZZBPUFCUURGOEK-INIZCTEOSA-N 429.927 4.923 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1 1705750706 MCGSCBRGQXKSMT-CHWSQXEVSA-N 427.799 4.790 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)C2CCCCC2)CC1 1705778829 LJMDDUKEUMEJIA-UHFFFAOYSA-N 442.007 4.792 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCCC[C@@H]2C1 1705794283 BNYQSRZBIUYXNI-JOCHJYFZSA-N 437.632 4.751 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705823416 LDMJOHYYJURZHC-RBUKOAKNSA-N 428.602 4.551 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CCCCC2)C1 1705826829 KNPNKGNQPYWGRA-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1705836227 KUTAZGQNJJGVCM-CZIWCDLHSA-N 430.325 4.916 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)COC 1705871798 XVINKLDEOGYUDY-UHFFFAOYSA-N 433.394 4.867 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCc2cccnc21 1705882187 ORYBEFMOMPFJHH-QHCPKHFHSA-N 431.584 4.661 30 10 IJEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)CCO1 1709551131 AMFXAUITFSVAGL-BJKOFHAPSA-N 444.583 4.657 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC1(C)C 1722465170 FKGPOCXBIOCHEW-UHFFFAOYSA-N 439.412 4.909 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1722569704 KTTCPOHREFBVFV-XXBNENTESA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CC)C1 1722587698 XSINMJKHMPQPRX-MRXNPFEDSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)CCC)CC1 1722592115 RADFJCIVBAGROV-UHFFFAOYSA-N 437.632 4.665 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722601582 IQMXFGBKVGODJT-UHFFFAOYSA-N 439.604 4.921 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(CCCO)CC1 1722613056 QTFROBPHCGDBSS-UHFFFAOYSA-N 439.423 4.724 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1722702808 KJANQJVDOOWNHJ-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE C#CCCCCn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1740579407 RHVVUCUPUCETMC-AZUAARDMSA-N 446.517 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)C[C@H](C)c1nccs1 1740764854 ZBLBTYNISXNHSO-HQRMLTQVSA-N 443.642 4.608 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740868614 OIMLEZIBUQTQCS-HKUYNNGSSA-N 445.995 4.533 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CC1(N(C)C)CCC1 1740936377 RSHLQVAYTADKQU-UHFFFAOYSA-N 439.991 4.911 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOC(C)(C)C)C1 1740975400 OOZBURPHYWOUBZ-NRFANRHFSA-N 426.605 4.839 30 10 IJEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1743888860 BNLQUDKZGDBBSO-OALUTQOASA-N 436.604 4.527 30 10 IJEE CCC1(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1744292774 GLFWEIJONFTCPY-QFIPXVFZSA-N 437.588 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H](C)c1nccs1 1748639390 GGBXYSAWQBKNKQ-OKZBNKHCSA-N 439.585 4.535 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCCC 1748930339 HVDQPIYDUVFNHN-JOCHJYFZSA-N 428.024 4.636 30 10 IJEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1749040088 MBXAIFBSPNPHBE-GOSISDBHSA-N 431.565 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cc(OC)ccc1OC(F)F 1749068977 RQAONCQBTWIKHS-HSZRJFAPSA-N 432.515 4.517 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@H](CC)C1 1749212916 BCADDSGVNLZYHB-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1749213483 LIBPSYPLCVULOU-SQJMNOBHSA-N 437.588 4.758 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C)C1 1749239954 QMKMFAMCNQBOOW-FQEVSTJZSA-N 426.605 4.984 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749251217 AGDRJYHTTFERJU-IYWMVGAKSA-N 430.980 4.506 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCc2sccc2C1)c1ccccc1 1749380915 BALMFXVMMJFSCP-HXUWFJFHSA-N 449.624 4.791 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cccnc1OC)C1CC1 1749508189 KTCRKMGZCGBVMO-LJQANCHMSA-N 433.556 4.642 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C)c1 1749548573 GFEJDRUAIZAIBQ-XMMPIXPASA-N 438.597 4.541 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@H](CC)C1 1749760227 GFVKSYWAJWNOSH-HXUWFJFHSA-N 432.659 4.725 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1Cc1nc(C(C)(C)C)cs1 1750068658 BDBXIMAGBGQUAB-AWEZNQCLSA-N 428.993 4.997 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCOCC1 1751113335 IDFLVOVWGCDNMN-SFHVURJKSA-N 435.597 4.620 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1CC1CCC(C(F)(F)F)CC1 1760206560 DORMDAVHKFQMMB-UHFFFAOYSA-N 442.529 4.895 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1cccnc1)C(C)C 1760225537 SHNXABCJFQNHFC-AUSIDOKSSA-N 435.547 4.852 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC=C)c1ccccc1 1760226824 ZVTIUPFLBZKHFM-GOSISDBHSA-N 438.373 4.855 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760369994 DQWDKKOAAMKRDC-RBUKOAKNSA-N 446.979 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1760414307 MQQOYIGPDZEOQP-NFBKMPQASA-N 431.584 4.833 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760429655 LOIYYZJOLPIFNH-HDICACEKSA-N 434.531 4.950 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760432923 WCIVJJFUGZREHO-JXFKEZNVSA-N 445.489 4.924 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760444088 XEIVDYLCDXOXFS-UHFFFAOYSA-N 441.645 4.540 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)CCO[C@H]1C1CC1 1760503743 DIIBLGSKGXAOLD-REWPJTCUSA-N 448.970 4.582 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2scnc2C)cc1 1760530191 LJDSXNJLGKTCBP-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)C1 1768360355 HRWKCNDOQRSCTL-YZUZCNPQSA-N 439.629 4.742 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCO)CC1)C(C)(C)C 1771397726 FEZLYFQVTCPWEC-OAQYLSRUSA-N 441.645 4.583 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](SC)C(C)(C)C 1772516409 GBBUBECQOBHNQA-QFIPXVFZSA-N 438.641 4.715 30 10 IJEE CC(C)NC(=O)[C@@]12CC[C@@](C)(C(=NOC(=O)c3ccccc3Br)C1)C2(C)C 1772722802 VQFJYEUALJJGOB-LEWJYISDSA-N 435.362 4.703 30 10 IJEE O=C(/C=C/c1cccc2ccccc12)C(=O)Nc1ccc(I)cc1 1860727780 FVHYAGHBQIGGNF-MDWZMJQESA-N 427.241 4.665 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccc(Cl)c2)cc1 1862391805 IRTCIDKEPGUQCO-YCRPNKLZSA-N 427.928 4.642 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862479285 CNALSMQJYXQUBW-XMMPIXPASA-N 442.515 4.957 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(F)c2)ccc1F 1862501847 LUINWAIGEZEBKC-OAQYLSRUSA-N 429.463 4.667 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862564513 BVKSYGYCMRSSSG-QHCPKHFHSA-N 435.568 4.884 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 1862621049 HMTYKJVELAZNQZ-MWTRTKDXSA-N 427.456 4.755 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(OC)cc1 1862663260 QAEJPUZRNBSNSO-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2c(F)cccc2Cl)cc1 1862666941 OWVKMEPQOPJYEG-RNODOKPDSA-N 431.891 4.562 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2c(F)cccc2Cl)cc1 1862667116 SXXITWCFSRCOLL-FQEVSTJZSA-N 431.891 4.563 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1862678677 UKUUFKQWEOEJCX-QHCPKHFHSA-N 433.479 4.984 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(C(=O)O)cc2)c1 1862701891 PITLTGVZKLKAAJ-QFIPXVFZSA-N 449.503 4.695 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862955884 MAGQSYAZZUDUJK-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1863320744 GLWGOAXBKCBZES-HNNXBMFYSA-N 429.426 4.790 30 10 IJEE N#Cc1nnn(-c2cccc(Br)c2)c1NC(=O)c1ccccc1-c1ccccc1 1870147097 XMAGOCJUTSYYSB-UHFFFAOYSA-N 444.292 4.821 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870302557 TWGXDHOGNDCTIV-UHFFFAOYSA-N 443.572 4.701 30 10 IJEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870809687 QACXNWBSKDMMNG-UHFFFAOYSA-N 431.536 4.649 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871370467 NFHPGVBTCSBDDP-UUYOSTAYSA-N 434.419 4.743 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1OC 1871374355 GSVIYMFSGVVQJF-FMCGGJTJSA-N 434.419 4.607 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1ccc(F)c(F)c1F 1871443453 RDXFNCWXNPTZCU-MFOYZWKCSA-N 431.391 4.799 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871891037 KITVIMPQWFVIIK-UWJYYQICSA-N 434.989 4.879 30 10 IJEE COc1ccc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872782262 IBVKHJBKRKHYSO-HNNXBMFYSA-N 428.897 4.979 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(OC)cc2)cc2c(N(CCC)CCCC)ncnc21 1873595804 SPSMXVVFPNHAKN-UHFFFAOYSA-N 435.572 4.572 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCc3cccnc3)ncnc21 1873608618 ALFQPJDTVLRNNI-UHFFFAOYSA-N 436.878 4.669 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(NCc3cccnc3)ncnc21 1873608649 BQFHRZMXFDVJFJ-UHFFFAOYSA-N 448.914 4.539 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCCCN(CC)CC)ncnc21 1873626300 SAXITLWNBINRPU-UHFFFAOYSA-N 440.979 4.667 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccccc1F 1874202100 KXEQHMVLFNXWFU-PCLIKHOPSA-N 442.560 4.994 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874212564 SSAMIDQFGADFMS-UDWIEESQSA-N 446.330 4.534 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3c(C)ccc(C)c3C)nnc2SC)cc1OC 1874253917 LBMKXGVSIQBFSM-ZMOGYAJESA-N 440.569 4.794 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2/N=C/c2ccc(Cl)cc2)cc1 1874258835 OZPJTGPIFNXHOP-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874283211 VDYBZPANDNKMEE-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE CCOc1cc(/C=N/n2c(COc3cccc(C)c3C)nnc2SCC)ccc1O 1874323949 PUDMORWRNXEJCT-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874491807 KAZYGFHDSSISBG-UFFVCSGVSA-N 429.373 4.711 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc(Cl)c1 1874512114 XCRIKEAZIUPTEU-FOKLQQMPSA-N 431.924 4.807 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nncn2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874536709 QOEBDLMGHZYWOZ-KIBLKLHPSA-N 433.459 4.527 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c1 1874597598 VRWHCEBSDPWWAW-CSKARUKUSA-N 429.472 4.946 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC 1874626240 SKTTZKNTLPAYQG-RMKNXTFCSA-N 437.870 4.770 30 10 IJEE COC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1874628032 IQXIZJWNRWNCRH-NTEUORMPSA-N 448.471 4.944 30 10 IJEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1OC 1874692636 QBMWODNZHISRDP-PKNBQFBNSA-N 433.416 4.727 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)COc1cc(F)ccc1F 1874710011 OFHWLMBJWFINHG-WTDSWWLTSA-N 442.389 4.993 30 10 IJEE COCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1Br 1875167127 QFFMISAPYDMUQJ-VMPITWQZSA-N 433.298 4.522 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc21 1890702563 HQHBHSVAYDNFSL-OAHLLOKOSA-N 428.916 4.684 30 10 IJEE N#Cc1ncccc1OCC1CN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2Cl)C1 1891526735 VDKPOHYLSAKIQY-UHFFFAOYSA-N 431.106 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@@H]21 1912177446 FAKLUJWJFWQCFJ-JLHGSKIFSA-N 448.568 4.996 30 10 IJEE C#Cc1ccc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1951385005 DZZBEYKHBQOHTE-RUZDIDTESA-N 425.484 4.592 30 10 IJEE N#Cc1cccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1 1952779125 JWTQMFVBERTNKR-UKILVPOCSA-N 438.483 4.955 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 1988787863 WEJVAWKFCFSJRS-VQTJNVASSA-N 425.516 4.839 30 10 IJEE C=C(I)CN1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccccc21 1992152482 FPBTVARVDMAYKW-CQSZACIVSA-N 428.314 4.581 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1OC(C)C 2040459703 XKNPUHTTWPRJTC-UHFFFAOYSA-N 443.565 4.553 30 10 IJEE C=C(COCCC)[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041913050 ZOFKVWWXCHCGRZ-BVAGGSTKSA-N 446.632 4.791 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]1C1CCC1 2073795241 QHIFIYHUHXFUGZ-VGOFRKELSA-N 448.568 4.996 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](O)Cc2cc(Cl)c(C)c(Br)c2)C1 2077090771 WSJPLVABJDSTSJ-INIZCTEOSA-N 430.770 4.928 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079935444 OPCKXABVBDEPSA-OAHLLOKOSA-N 443.235 4.613 30 10 IJEE C#CCN(C[C@@H](Cc1ccc(Cl)cc1Br)NCCC)C(=O)OC(C)(C)C 2088509918 ODECMZAXYJFBTN-QGZVFWFLSA-N 443.813 4.884 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2102882904 SKZUUMDUBDWCMZ-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@@H](O)CC#C[Si](C)(C)C 2130928103 YXRPMIMOPLUBKC-MSOLQXFVSA-N 440.454 4.517 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCCC 2159126194 SCRKCVICBNRNAL-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCCC[C@@H]1CN(c1ccc(C#N)c(Br)c1F)C2 2174821264 GJSWHUZFEMXEEC-VLIAUNLRSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(C#N)c(Br)c2)C1 2203260797 YSTRECMJLDPLKM-DZGCQCFKSA-N 436.350 4.733 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)CC(C)C 2210263898 BRNUIKRIUCCTHJ-KBMIEXCESA-N 447.579 4.948 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)CCC1(C)C 2231324740 GYNGUBHTZZOGDR-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE Cc1cc(C(=O)Nc2ccccc2OCc2ccccc2)oc1B1OC(C)(C)C(C)(C)O1 2267132973 WXNJQJZTAVSWOB-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267574749 ZNRUBDYIANGJDX-DLBZAZTESA-N 442.365 4.795 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2278817759 JMABCLXMFAMTMF-AEFFLSMTSA-N 435.387 4.716 30 10 IJEE CC(C)[C@@H]1[C@@H](C(=O)Nc2cc(Br)ccc2C#N)CCN1C(=O)OC(C)(C)C 2279331200 OGEAWAHZYUHKBV-DOTOQJQBSA-N 436.350 4.541 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(O)c(OC)c2)C1=O 2294017463 UMIOIJOESCGHHD-UHFFFAOYSA-N 431.897 4.598 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 2296566830 NPMJJBZMVNTQDO-QFIPXVFZSA-N 432.476 4.741 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 2305321647 FOLDOQWFFRKXLB-CJFMBICVSA-N 430.589 4.849 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCCC[C@]12CCN(C(=O)OC(C)(C)C)C2 2306612954 ORNAOFBZZYWXOE-RPBOFIJWSA-N 428.573 4.699 30 10 IJEE CN[C@@H](C#C[C@@H]1CC1(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2317325556 BBIXCWPSAJXFFT-PKTZIBPZSA-N 439.644 4.574 30 10 IJEE CC[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2317359323 ZUKYXIITZMQQKY-GJAMECAOSA-N 432.370 4.797 30 10 IJEE CCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2321836239 OGFRAVOZCGKJAU-INIZCTEOSA-N 449.503 4.925 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1OC 2322183772 ORIJUOYREUKHEG-UHFFFAOYSA-N 426.586 4.615 30 10 IJEE CCOC(=O)c1ccc(COc2c(C=CC(=O)c3cccc(OC)c3)cccc2OC)o1 2322377503 XJQMNJKDMGIFCT-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE O=c1c(Cl)c(NN=Cc2c(O)ccc3ccccc23)cnn1-c1cccc(Cl)c1 2322607238 UVLKFCABKRSEGR-UHFFFAOYSA-N 425.275 4.844 30 10 IJEE C[C@@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)OCO2)c1ccccc1 2322687770 NMIXTRWLIYLHMP-GOSISDBHSA-N 429.472 4.568 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)cc1OC 2322781477 TYONVFMKFRRGGR-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OC(=O)c4ccncc4)c3C)C1=O)cn2C 2322828325 AWSMIXAFOJDROY-UHFFFAOYSA-N 440.455 4.726 30 10 IJEE O=C(O)C=Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2323603469 IIYBQJSSGLHTAF-UHFFFAOYSA-N 430.387 4.759 30 10 IJEE CCc1nc(NN=Cc2cccc(OC)c2OCc2ccccc2)sc1C(=O)OC 2323874034 GRBKEBVJAYJPLQ-UHFFFAOYSA-N 425.510 4.526 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3CCC(N(C)C)CC3)C2=O)c2ccccc21 2324161641 DIQRXKFVJVAMDO-UHFFFAOYSA-N 445.563 4.509 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(OC)c(OC)cc1OC 2325553905 JXSJRIXZSMJHAI-UHFFFAOYSA-N 444.532 4.570 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccc(F)c1 2326211683 LQKNQVZOYPPZSG-UHFFFAOYSA-N 428.533 4.604 30 10 IJEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(O)c(O)c1 2326912669 FFPIYNYPJPQDFH-UHFFFAOYSA-N 438.597 4.999 30 10 IJEE CC(C)(C)N1C[C@H](c2nnc(SCCc3ccccc3)n2N=Cc2ccccc2)CC1=O 2327870229 DYNZABHUZNYVKA-OAQYLSRUSA-N 447.608 4.610 30 10 IJEE CCN(CC)C(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(C)cc1 2329383716 ZEFQIAAOJSTGET-UHFFFAOYSA-N 449.624 4.637 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(OC)c1OCC 2329835361 AMWKEOIKRAEARW-UHFFFAOYSA-N 440.544 4.966 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)n2N=Cc2ccco2)cc1 2329936467 DVWUBPDQJLCACV-UHFFFAOYSA-N 449.511 4.522 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 2330586523 MIAUQVHNRMSTMS-UHFFFAOYSA-N 434.546 4.922 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccccc2C)c1 2330919343 BNDARLZDZRSWKS-NRFANRHFSA-N 449.580 4.668 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3cccs3)c(OC)c2)cc1 2330953450 YHZVRTAWSNYCGO-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1c(F)cccc1Cl 2331673621 FOOGUYXHTUUKBN-UHFFFAOYSA-N 449.914 4.946 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339584965 ISOUOLNGORXCND-OALUTQOASA-N 444.381 4.798 30 10 IJEE CN(Cc1ccccc1)C1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339585206 LSSLDTUURJZJQO-DTQAZKPQSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339590248 KKXXXZPMDHVUQE-SFHVURJKSA-N 442.365 4.505 30 10 IJEE CCN[C@@H](C#Cc1nc(CC)cs1)c1csc(Br)c1Br 2363976679 NNIZQWBKKIDJPJ-NSHDSACASA-N 434.222 4.994 30 10 IJEE CC(C)(C)C#C[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366704554 OPBYGQGCIRHYSM-JTQLQIEISA-N 426.703 4.588 30 10 IJEE Cc1cc(CN2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)ccc1B1OC(C)(C)C(C)(C)O1 2369729062 XYGRCBRLANCYKH-PLQXJYEYSA-N 446.444 4.533 30 10 IJEE CCOC(=O)c1ccc(-n2c(C)cc(/C=N/N=c3\sc4ccccc4n3C)c2C)cc1 12659484 UEODUVLMEFOMKE-LZKUHBPSSA-N 432.549 4.759 30 10 IJEE COc1ccccc1CN/C(=N\C(=O)Nc1ccc(Cl)cc1)Nc1nc(C)cc(C)n1 14156210 YIPNITMVYWYALT-UHFFFAOYSA-N 438.919 4.545 30 10 IJEE Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 17095128 HTWKSBDSVHKZEH-LRTDBIEQSA-N 426.854 4.934 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1cccc2ccccc12 33810971 IRBKDFNUUKCZII-SIHNDCSESA-N 445.544 4.995 30 10 IJEE CCCCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)c1 38623204 MHPGJPCTZPVPFH-GOSISDBHSA-N 430.504 4.753 30 10 IJEE COc1cc(C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc(OC)c1OC 41011755 YJMNOFVTHDLLNG-LLVKDONJSA-N 430.551 4.752 30 10 IJEE Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12 46845870 HNQGRSYYKSCALQ-UHFFFAOYSA-N 442.353 4.856 30 10 IJEE C=C(C)COc1ccc(NCC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1 66062227 HDKDKKHNEPWXNO-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2C)cc1 169926724 KTQOMWUEWZUSRD-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC(C)C)c1 169939180 QEGNYZSNOJOEAG-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)s1 169961514 GMYMFMRZSCQBPC-GOSISDBHSA-N 440.908 4.902 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC(C)C)cc1 169977932 XKELYHNPHWVQMM-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccc2c(c1)CCO2 170044152 QZLSFJFNGCZXHX-OAQYLSRUSA-N 439.895 4.501 30 10 IJEE O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170053051 DBSUEMSGVOOBNH-QFIPXVFZSA-N 447.874 4.750 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(F)cc2)c1 170060781 SNZKGCSKHIYELD-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCN(C)CC2)C1=O 170094597 VTRYDNKZFKKWFU-UHFFFAOYSA-N 439.644 4.771 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(O)c(OCC)c2)c1 170149110 HPVVXQQDBUSZTG-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)cc1 170188200 BVWZWRXSETYRKP-QHCPKHFHSA-N 428.488 4.899 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)c1 170224811 YGVMTIJZICJHLM-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)cc1 170233643 IFRRBRGXPKIIHZ-QHCPKHFHSA-N 437.536 4.869 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(F)cc1 170239163 XTOBJWWKQKMNEM-QFIPXVFZSA-N 447.462 4.940 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)cc1C 170239388 XIFQJPJMPFJGNL-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)CCO2 170254366 CDAZFTKVYUJWBN-XMMPIXPASA-N 436.467 4.886 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc(O)c1 170261778 UVEBQNCOCHQIMI-JOCHJYFZSA-N 435.520 4.929 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)ccc1OCC(C)C 170293026 HSGQKTYMLWTODN-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)o1 170307044 BOKBQOBSBGJJOA-JOCHJYFZSA-N 435.476 4.994 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)cc1O 170322814 OZYXJNXAZWUMPD-JOCHJYFZSA-N 433.460 4.668 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2CCCC)c1 170324141 JQSKJAMAPBAVPH-HSZRJFAPSA-N 435.520 4.947 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1ccccc1OC 460547617 RYMDNNAQHBSZAO-NRFANRHFSA-N 434.540 4.889 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 475569485 CPPGGUUFVPIOJY-UHFFFAOYSA-N 442.567 4.932 30 10 IJEE CC1(C#N)CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)CC1 507821551 CCSLXHSBUNYXHW-UHFFFAOYSA-N 435.531 4.912 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 508510952 SLBQISCJWFWVHB-PNLZDCPESA-N 449.020 4.573 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 508828573 PRSUEWLRRYMILA-UHFFFAOYSA-N 427.637 4.642 30 10 IJEE C=CCn1c(SCC(=O)NCc2cccc(C)n2)nnc1-c1ccc(Cl)cc1Cl 516533599 MXSIJDMLIHCRLY-UHFFFAOYSA-N 448.379 4.550 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)o2)ccc1OC 526604196 KLQURSKOJXOOOO-QHCPKHFHSA-N 430.460 4.924 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cn(C)c2ccccc12 526829101 SVALKRUIUDYHPJ-QRVIBDJDSA-N 434.525 4.805 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]1c1ccc(I)cc1 534566760 YAOXXNAIQWANNC-SFHVURJKSA-N 431.277 4.840 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](Nc4ccccc4)C3)n2Cc2ccccc2)c1 562755447 FPQHVQAZHMPTBK-RUZDIDTESA-N 434.547 4.946 30 10 IJEE CCCOc1ccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CCCc3ccc(C)cc3)CCN2)cc1 585840751 RNEMLCKXZNGIGG-ZEFCKEHESA-N 448.607 4.626 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2cc(Cl)ccc2OCC#N)cc1C 735348219 XHFJZWDUWOCKOK-UHFFFAOYSA-N 448.910 4.993 30 10 IJEE C[C@@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)c1ncc(-c2ccccc2)o1 741308577 APECAUYTZIGUMH-LLVKDONJSA-N 449.410 4.729 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1)c1ccc(-c2ccccc2)s1 914699775 UIXFYEWTXXUCOX-UHFFFAOYSA-N 449.561 4.842 30 10 IJEE COc1ccc(Br)cc1C=NNc1nc(SCc2ccc(C)cc2)n[nH]1 1084080010 ATBSMUHGDKTQOX-UHFFFAOYSA-N 432.347 4.623 30 10 IJEE COc1ccc(C(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)cc1 1084353712 AUHBGTNJOZFDLC-UHFFFAOYSA-N 436.324 4.541 30 10 IJEE C[C@@H]1CN(/C(=N/CCc2cccc(F)c2)Nc2cc(-c3ccccc3)ccc2O)C[C@@H](C)N1 1088736375 YCMCIWBCCGDNSN-WOJBJXKFSA-N 446.570 4.891 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)cc1 1131935275 CDTDFXUMYGCDLU-MRXNPFEDSA-N 444.347 4.991 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(Cc3ccc(Br)cc3C#N)C2)C1 1141810257 PVRHUAAIVPIHOY-OAQYLSRUSA-N 434.378 4.544 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(CCN(CC)CC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1152337485 FXVOTDKYRDIGGH-SANMLTNESA-N 447.664 4.693 30 10 IJEE N#C[C@H](CCc1ccccc1)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 1153988613 DRDKZVAGTPKBFP-SFHVURJKSA-N 427.342 4.591 30 10 IJEE C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1156560003 FAPSFORGCBHHOR-BEFAXECRSA-N 434.392 4.883 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2CCCc3ccccc32)C(C)C)nc2ccccc2c1=O 1164556845 JLYVYFLFZZZLJO-QFIPXVFZSA-N 433.577 4.679 30 10 IJEE N#Cc1ccnc(SCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 1188627189 GVIBJIVTMSYYPC-FQEVSTJZSA-N 443.981 4.809 30 10 IJEE CC(C)c1cccc(N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1 1190509301 BOGNWEGZPXQCPS-OAQYLSRUSA-N 434.584 4.616 30 10 IJEE N#Cc1ccc([C@H](O)CN2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)cc1 1194298927 BMEWWKNAEJPBGG-AREMUKBSSA-N 447.966 4.646 30 10 IJEE Cc1ccc(Br)c(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1202941991 FTXRWHCGDPHSGK-UHFFFAOYSA-N 433.737 4.637 30 10 IJEE C#CCN(C(=O)N[C@](C)(C1CC1)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1220262507 WJMDNCVUXDVDMN-MAUKXSAKSA-N 445.279 4.649 30 10 IJEE CC(C)(CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1cccc(C(F)(F)F)c1 1221729984 IAIGPLAUESUABI-UHFFFAOYSA-N 448.464 4.526 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 1269803876 ZSRLCGSCLRIQMA-UHFFFAOYSA-N 431.414 4.776 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](C)CCc1ccc(I)cc1)c1ccc(F)cc1 1275431783 OAWWMIUAWNXAEG-YWZLYKJASA-N 449.307 4.880 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@](C)(Cc2ccccc2)C2CC2)nnc1-c1ccco1 1276176578 FHWHLIJAUQTYBN-XMMPIXPASA-N 436.581 4.734 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1278997308 BXZHAGHWKCVMHM-WMZHIEFXSA-N 426.582 4.767 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1csc(CC)n1 1286277646 FVCBODPSXTXSSK-PKOBYXMFSA-N 437.613 4.754 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccsc1 1286562462 ABORJMWXCLDJJI-OFNKIYASSA-N 438.597 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1286572151 XWEHSMUIIZBSLO-UHFFFAOYSA-N 441.963 4.852 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)=C(Br)C1 1286634921 FTKPEHNYOBEVHU-GDBMZVCRSA-N 443.817 4.828 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCN(C(C)C)C2)CC1 1286648324 NXIQGVILCPNCLR-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCCC[C@H]2CC)CC1 1286662280 DIOIOENTUMRVCQ-HSZRJFAPSA-N 437.632 4.544 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(C)on2)CC1)c1ccccc1 1286677539 DMCGLSBJPNCHIV-REWPJTCUSA-N 448.615 4.770 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1CCSC1 1286696133 UTJCDDUNJIYYRB-HNNXBMFYSA-N 437.407 4.624 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCc2c(F)ccc(F)c2C1)C(C)C 1286752255 XZQTVGFQXBNDFX-QHCPKHFHSA-N 441.570 4.695 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H]1CCO[C@@H](C)C1 1286755424 XTPZHJRWQHNNKG-SFTDATJTSA-N 432.572 4.514 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286767657 XUPSLOUBPPNMEG-MSOLQXFVSA-N 438.494 4.886 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)[C@@H](C)C2)cc1 1286796172 IHKYYTUPJGZTFZ-BZRIBIQUSA-N 438.616 4.902 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCc1cccs1 1286960370 DZDSINPGZFPUKC-AWEZNQCLSA-N 430.375 4.608 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCCC2)C1)OC 1291940506 FCOFMFXZGFVKGJ-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)CC1 1293023350 MLRHMLNMTLMXME-UHFFFAOYSA-N 430.390 4.627 30 10 IJEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)C1CCCCC1 1298376791 ASGSKVXDWXMGAW-UHFFFAOYSA-N 432.572 4.701 30 10 IJEE O=C(N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)[C@H](O)c1ccccc1C(F)(F)F 1299832344 AFCGETPQSQCWBR-CVEARBPZSA-N 434.311 4.779 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnc(C)s1 1300394239 OGFWVZZGSCLMFT-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(C(F)(F)F)c1 1300430836 PXISPEFFXSELNA-KRWDZBQOSA-N 443.473 4.566 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC1CCC(OC)CC1 1300565243 NSWTWFKLLSABNW-UHFFFAOYSA-N 442.966 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](SC)C1 1300882201 TVPRUBGBFQVLFV-KNKQGSTJSA-N 442.629 4.657 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1300993540 BVMNCKAHQNJGFP-GOSISDBHSA-N 448.905 4.635 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1301120512 ULHLQSIZCLFBML-URXFXBBRSA-N 437.632 4.833 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1301128845 BBIINRPTJCQHQI-OAQYLSRUSA-N 426.561 4.860 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)OC1CCCC1 1301217802 DZJMEERSFCPOTC-UHFFFAOYSA-N 436.560 4.513 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(Cl)cc1)C1CC1 1301315805 AVLONUKNOWJRCR-UHFFFAOYSA-N 432.753 4.892 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1 1309153855 KNHUNPFSIAUVRC-UHFFFAOYSA-N 444.556 4.683 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 1310357817 SBQFGJLKPYUDRD-RHSMWYFYSA-N 436.375 4.599 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 1310862092 CYIKTIZMMQHVAD-APWZRJJASA-N 444.373 4.971 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@@H]1CCC2(CCC2)O1 1313335633 ZLKDDGGZJPUCPQ-KRWDZBQOSA-N 425.342 4.778 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCCCCCC3)n2C[C@H]2CCC(F)(F)C2)cc1 1316533163 FZBCIKSJMBHFBL-IBGZPJMESA-N 429.515 4.935 30 10 IJEE CC(C)c1ccc([C@H](CNC(=O)c2ccc(C#N)cn2)N2CCc3sccc3C2)cc1 1355410865 CEPZLDBGRSLYMR-QHCPKHFHSA-N 430.577 4.668 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4cc(Cl)c(Cl)cc4[C@@H]3C)cc2C1=O 1357623838 XDWQKKMQOBJHDM-LBPRGKRZSA-N 429.303 4.535 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCOc2ccc(C)c(C)c2)c(C(=O)OCC)c1C 1357816459 FNFHJZVSIIBXRB-UHFFFAOYSA-N 445.537 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358883602 YLGHVPRNVLALIG-IRXDYDNUSA-N 445.995 4.559 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1358915774 OUPRDXKSNKVUHN-UHFFFAOYSA-N 432.490 4.574 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(CC)s1 1358969124 HMSFYJRPUCIBIH-HXUWFJFHSA-N 432.593 4.780 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCC(F)(F)C1 1358971756 HZWUJIIDVBTJLR-SJORKVTESA-N 428.552 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1cccs1 1358998656 NIWYYTIWMSGXPM-UHFFFAOYSA-N 441.025 4.991 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1cccc(C)n1 1359063696 BFDRUWYGJNOZEG-AJTFRIOCSA-N 443.595 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1359094120 XITPRWZPPLIJIX-HNAWSFBYSA-N 445.405 4.924 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2oc(CC)nc2C)CC1 1359160685 ZZBDLMDLKOHUOD-QGZVFWFLSA-N 425.508 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1 1359273112 PJZMTFHQUIXQSW-QFIPXVFZSA-N 428.989 4.670 30 10 IJEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)CC1 1360144416 HJUUVNTWFKFRDJ-UHFFFAOYSA-N 442.558 4.563 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 1434948985 HPWKKISSCKLNFK-NBGIEHNGSA-N 446.595 4.651 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(Br)cc(I)c1 1438258345 JOTUOYHVJUOXGM-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CC2 1439012509 HPIPLIKPVBROHT-GOSISDBHSA-N 442.515 4.914 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)c1 1442830412 BUHFLTUDGRYDAY-UHFFFAOYSA-N 443.528 4.618 30 10 IJEE COc1ccccc1C1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CCC1 1447476456 GPYPFJOZGHLTKP-UHFFFAOYSA-N 426.516 4.998 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1n[nH]c(-c2ccccc2)c1Br 1447758124 NPKCTLBIVHFWFT-UHFFFAOYSA-N 426.314 4.989 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H](O)c2ccccn2)ccc1C 1448459103 LMXVCMDFDHJDAV-IRLDBZIGSA-N 439.556 4.660 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 1448485216 KWTNRISEKLHVGT-OKZBNKHCSA-N 437.378 4.671 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c1C#N 1460567611 GGZKCKMIRYGXTM-LBPRGKRZSA-N 446.370 4.671 30 10 IJEE COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)CC#N)c3c(C)nn(-c4ccccc4)c3n2)cc1 1463425691 FYELLYPZGBVYPT-KRWDZBQOSA-N 439.519 4.779 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)c1C#N 1465821966 AJOKLHZGAUEKKN-UHFFFAOYSA-N 435.471 4.732 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 1466799178 RCYQPSQBNDPLEJ-UHFFFAOYSA-N 445.416 4.794 30 10 IJEE C#CCN(C)CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 1473442610 JZSYMTWJJOKVIY-UBBTUAOMSA-N 433.502 4.653 30 10 IJEE C=CCOc1ccc(CNC2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1 1474517506 UXSCPTZZRYXFQF-UHFFFAOYSA-N 428.960 4.501 30 10 IJEE C=C(Cl)C[C@@H](NCc1ccc(N2CCCCC2)c(Br)c1)C(=O)OCC 1474667005 GYQYVJHMEHFTCS-QGZVFWFLSA-N 429.786 4.603 30 10 IJEE COCC1(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@H](C)C#N)CCC1 1504630035 HVTPQCCXGYLNHF-DLBZAZTESA-N 427.618 4.544 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN(C(C)C)C(C)C 1507531558 BFAKWSSXVZREDE-HXUWFJFHSA-N 434.588 4.567 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@H]1C 1507754780 GXGYZEQOCJBCGF-GOSISDBHSA-N 433.021 4.607 30 10 IJEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@H](C)C1CCC1 1507783236 ATLGWBSOVPKMJP-DNVCBOLYSA-N 447.377 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1507798987 QALIXSKYQKVWMP-DYQZNNLLSA-N 430.637 4.632 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1507824549 CPYHZYRVEQOWRI-UHFFFAOYSA-N 429.355 4.550 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)CCC)CC1 1507897091 MFFDFLGMDFFSHH-NRFANRHFSA-N 433.394 4.661 30 10 IJEE C=CCCCn1c(N2CCc3sccc3[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1507953529 KBJJXVVTPWWTBI-CVDCTZTESA-N 430.618 4.860 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC(C)CC1 1508001199 LRZJFVMONBODLD-QFIPXVFZSA-N 430.600 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCCCC1 1508015341 SDSGQSZSMYRQDS-UHFFFAOYSA-N 430.600 4.856 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CCc1nc(C)c(C)s1 1508025677 AXTDMAJMWGPQNK-UHFFFAOYSA-N 437.569 4.991 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccccc1F 1508061038 IQCVEYIETUEUBG-KRWDZBQOSA-N 443.567 4.915 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1508167781 PSAQSXCIZKVCHG-NRFANRHFSA-N 449.580 4.891 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cc1OC 1516115432 CBMHZHVGONBQBV-YYRKOSNBSA-N 448.332 4.922 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)[C@H](Cc1ccccc1)C(=O)OCC 1516154046 AMPPKHJTSWALBR-HSZRJFAPSA-N 445.515 4.952 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C 1529419019 MNAIPUUHIZFPST-LJQANCHMSA-N 427.314 4.873 30 10 IJEE COc1ccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(Cl)c1OC 1529813697 HQVIMUVKSRNIAP-UHFFFAOYSA-N 436.895 4.989 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)c2)c1 1534244186 FEBPNMCRBNUAPP-UHFFFAOYSA-N 443.894 4.683 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c(OC)c1 1534857853 YUWRYMXUFYAEAE-UHFFFAOYSA-N 430.476 4.767 30 10 IJEE C#C[C@H](NC(=O)C(F)(F)c1ccccc1Br)c1ccc(Br)cc1 1535484137 XAVSOPCRNBTTGK-HNNXBMFYSA-N 443.085 4.794 30 10 IJEE C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1536591914 DSGJLRZWLAWLQF-GFCCVEGCSA-N 445.704 4.566 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1OC 1537411105 LQKYUEIHYOZZAG-ZGRKPMNPSA-N 427.928 4.915 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539655922 RZWAHMNGKSGLFE-QGZVFWFLSA-N 447.505 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC1CCN(Cc2cccs2)CC1 1539659650 GCCQEVTWMALXFO-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1)c1ccccc1 1539948819 SEWIAOVAYYEXCD-QHCPKHFHSA-N 449.643 4.675 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1539971762 RFJBTKJMXNUDCT-OAQYLSRUSA-N 429.653 4.746 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1540036997 ZBAUIVUFSUMGJJ-FQEVSTJZSA-N 434.943 4.509 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC[C@H](C)C1 1540127028 NTBOCPUTVZLASF-FCHUYYIVSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1540127033 NTBOCPUTVZLASF-FGZHOGPDSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCOC[C@@H]1C 1540129064 RDOCMAZVQAAPDX-GBXCKJPGSA-N 433.600 4.748 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc2cccnc12 1540154113 PLDDLAGQEXXGSR-UHFFFAOYSA-N 449.356 4.811 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(SC)sc2c1 1540373280 COWBDRNOJFEEFT-ZDUSSCGKSA-N 427.979 4.993 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 1542132623 RBGQZXAXGOETJP-NQIIRXRSSA-N 443.588 4.889 30 10 IJEE C#Cc1cccc(N(CC)C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1542919523 PFFCXCLRJBWTPF-LJQANCHMSA-N 438.527 4.948 30 10 IJEE CC(C)[C@H]1CC[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CC1 1543136565 AIMSJFXUMHVWJN-YFVAEKQCSA-N 432.406 4.620 30 10 IJEE C=CC[C@H](CO)CNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 1546311075 YESIQHKLOBOQNL-IBGZPJMESA-N 430.504 4.646 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCC(F)(F)C2)cc1OC 1547260818 FMRLTTZIVIYUMP-DLBZAZTESA-N 447.530 4.774 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 1558192524 BRDKZCVCWPFKCO-FYYLOGMGSA-N 433.552 4.552 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCN(c3ccccc3F)C2)cc1OC 1560487193 BDMHMOXTCCFFCB-INIZCTEOSA-N 449.364 4.778 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cnc(Br)c(Br)c1 1562488491 IIGDQWKXQCZHFS-ZDUSSCGKSA-N 439.151 4.916 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 1569724890 IPWIWQZTMJXTAJ-IEBWSBKVSA-N 426.586 4.535 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1587777746 PXXOEZWYXKGMOI-YVGXBJCXSA-N 440.638 4.669 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCC(C)C)CC1 1588750775 FMSSAUZBIWLWLY-UHFFFAOYSA-N 448.640 4.568 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1589060087 NCZSCZNKLDMQKV-GOSISDBHSA-N 438.519 4.541 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC2(CCC2)C[C@@H]1CC 1589109602 HDGBORARVMIMFJ-NRFANRHFSA-N 438.641 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1COCCO1 1589599213 DMGDPOPPKMPTSS-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1593600518 NVWDZUVOWBXDJV-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CC=CCC2)CC1 1594194460 VZWOKZHBYLBPAA-QFIPXVFZSA-N 435.616 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1594472760 IIRVTEWVZWJLAR-GOSISDBHSA-N 442.604 4.958 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccn(C)n1 1594551945 CXMCMAINTXQUAE-UHFFFAOYSA-N 443.393 4.672 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1594698107 LNOVUSSBPHCRHA-NRFANRHFSA-N 439.604 4.919 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1594788317 KTJBRKFRYYWFQA-PMACEKPBSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1595133605 IUWGUBBHUAPMGV-OFVILXPXSA-N 442.579 4.537 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCC(C)CC1 1595260308 HYKLNWHQIXCHKZ-NRFANRHFSA-N 427.637 4.815 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595844900 JGFGKRNYGHLQHQ-JTSKRJEESA-N 437.613 4.582 30 10 IJEE C#C[C@@H](NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1F 1597002029 GSFLXFPBLDRZTA-TZIWHRDSSA-N 439.836 4.938 30 10 IJEE C#Cc1ccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 1603613447 CTDSSUAMQROYAF-QFIPXVFZSA-N 443.341 4.809 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OCCN2CCCCC2)cc1 1620853907 IBSWRVZFUCAPKL-UHFFFAOYSA-N 443.385 4.938 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@](O)(c2ccccc2)C1 1625538525 JZMSVCPGENYFNC-OAQYLSRUSA-N 431.330 4.529 30 10 IJEE C#CCN(C(=O)c1cc(CCCCC)[nH]n1)[C@H]1CCOc2ccc(Br)cc21 1628058038 OLZYKIFFEMYABO-IBGZPJMESA-N 430.346 4.504 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 1630965152 SVSHARONWOARRN-FQEVSTJZSA-N 429.948 4.647 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2c(C(=O)OCC)oc3ccccc23)cc1OC 1632167887 KEZSLCNWEKJEBS-QBFSEMIESA-N 435.476 4.513 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)[C@]12C[C@@H]3C[C@](Br)(C[C@](C)(C3)C1)C2)C(C)C 1632734171 BPVKYQFYWOHUKC-GTWWNFFPSA-N 437.466 4.925 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(C(F)(F)F)cc1 1633470886 IRBFHKKJYBVUQW-HBFSDRIKSA-N 436.478 4.666 30 10 IJEE C#CCN(C(=O)c1cc(C)n(C2CC2)c1C)[C@H]1CCOc2ccc(Br)cc21 1633713652 NCLONDFPYXCSBL-FQEVSTJZSA-N 427.342 4.802 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CC)c1ccc(OC)c(OC)c1)c1ccc(Br)cc1 1635130342 FZWMHVDXQAGGFD-ZWKOTPCHSA-N 431.330 4.591 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1 1636552277 NDNZPQRAZULNRH-FQEVSTJZSA-N 435.877 4.561 30 10 IJEE C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cc(Cl)ccc1OC(F)F 1637575040 ARSHLMSXCALXHR-CYBMUJFWSA-N 435.858 4.799 30 10 IJEE CC[C@@H](CO)N(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)C1CCC(C(C)(C)C)CC1 1647855987 AGGOQQDKXHRLLK-OEXSPLCWSA-N 448.611 4.901 30 10 IJEE C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1653307030 HAVDSCGVJFQRAP-FOIQADDNSA-N 444.000 4.943 30 10 IJEE C#CCN(CC(=O)Nc1ccc(C)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1653388538 KWDPTPSVVUMXAM-IBGZPJMESA-N 447.760 4.808 30 10 IJEE COc1ccc(C#N)cc1CN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 1654553729 ADVMMLZEWWMBAC-SANMLTNESA-N 426.564 4.629 30 10 IJEE C=CCOc1c(Br)cc(CNCCCc2ccc3c(c2)OCCO3)cc1OC 1655914485 ICOSRZTXNQFFJR-UHFFFAOYSA-N 448.357 4.516 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CC(C)C)CC[C@@H](C)C3 1656072785 YKOVDSPVQNMQBT-MRXNPFEDSA-N 447.670 4.756 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCc2ccc(C)cc2)nnc1-c1cccc(Cl)c1 1656403197 MMCAXKXAIDTTBE-INIZCTEOSA-N 426.973 4.890 30 10 IJEE CC[C@H](c1ccccc1)N(CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1657118907 GWPCIGTVQADRMH-XUZZJYLKSA-N 448.611 4.829 30 10 IJEE C=CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1659459208 SVEBWKKDWLPJND-JOCHJYFZSA-N 434.502 4.934 30 10 IJEE C=CC[C@H](CC)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1663061712 NPHSHXFMEKHMMW-RJGXRXQPSA-N 433.017 4.582 30 10 IJEE C=CCc1cc(CNC(=O)N2Cc3ccc(C)c(Br)c3C2)cc(OC)c1OC 1667711336 QBWYZCCLFFIWJP-UHFFFAOYSA-N 445.357 4.729 30 10 IJEE C=CC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 1668169970 YMHZFZGKIGGJAV-UHFFFAOYSA-N 437.359 4.616 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1)c1ccc(Br)cc1 1668378495 BLXLEEJMMQDYTL-GOSISDBHSA-N 448.748 4.738 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1669079637 XVEQHKQFYRAURL-OAQYLSRUSA-N 442.441 4.926 30 10 IJEE COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 1669353673 BANNXIYRUAGAON-LJQANCHMSA-N 449.429 4.679 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 1669541107 MNJVZDPVXZZJIO-MRXNPFEDSA-N 433.346 4.623 30 10 IJEE Cc1c(Br)ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)c1F 1671395505 BOKYZTADJCPIRJ-UHFFFAOYSA-N 431.309 4.559 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4ccc(Br)c(F)c4C3)cc21 1674685357 VAZFGFWCVORGMO-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2nccc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CCCC1(C)C 1675616135 CKERBHCIABBJPL-MJGOQNOKSA-N 443.592 4.800 30 10 IJEE C#C[C@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 1683676520 OODWRDABMHHIFR-VWLOTQADSA-N 445.513 4.756 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1684418949 AAMCGRDVUCEKNJ-SFHLNBCPSA-N 426.923 4.539 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H](OC)C1(CC)CC 1685832627 BXMPDBUQZGJAIX-QZTJIDSGSA-N 427.358 4.880 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2nc(C)c(C(=O)OCC)s2)CC1)c1ccc(Cl)cc1 1686918178 FXCFBAOSBHKSOU-SFHVURJKSA-N 445.972 4.545 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCC1(C)C 1690097581 JOVSIVOURHNIFA-KRWDZBQOSA-N 430.980 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCOC1CCCCC1 1690260338 HYIAVQSCFKCHDP-UHFFFAOYSA-N 426.561 4.816 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1690402998 YDPFVXODGRWUSI-IEBWSBKVSA-N 444.551 4.512 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1690412449 RBXPCRXKUAZKBD-MRXNPFEDSA-N 441.576 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1690424305 KHPIVBJGAILBNS-IBGZPJMESA-N 436.629 4.887 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(CC)Cc1cnn(C)c1 1690455119 DGSJYCRGFCMNET-UHFFFAOYSA-N 449.422 4.885 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(=O)OC(C)(C)C 1690519791 XWIJVIONHKZJHM-UHFFFAOYSA-N 427.593 4.780 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=C)Cl 1690613627 OKIIPJONBIGXOP-UHFFFAOYSA-N 446.176 4.752 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1)SC 1694262479 CKMGMIAVSNQEHK-UHFFFAOYSA-N 439.629 4.745 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1705518369 PJAPJQFGKRBOQY-HXUWFJFHSA-N 445.652 4.754 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1705518551 NNMILOGDRCPPQL-XMMPIXPASA-N 429.568 4.808 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN(C)C(C)C 1705667951 ADRAMZOKWIJSLD-ATIYNZHBSA-N 437.632 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(CSC)cc1 1705671173 YRBHSBNOKQHFGC-HSZRJFAPSA-N 438.000 4.897 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCCCC1 1705702984 PZQMXVGVIUCHSE-GAJHUEQPSA-N 430.543 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(C(F)(F)F)c1 1705712260 NSLGGZXQADEKBE-UHFFFAOYSA-N 436.869 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705713276 ZCZUZYMLSJQSIX-INIZCTEOSA-N 441.929 4.885 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705749578 BBUHTINFABBVLE-AWEZNQCLSA-N 439.869 4.517 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1705770286 YUOZOHXGPZICEL-UHFFFAOYSA-N 431.437 4.627 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC(=O)NCCC)CC1 1705778381 UOTZNBMOBDXAAG-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)C2CCCCC2)CC1 1705785545 MJMHCLWGAXAIDU-XLGIIRLISA-N 444.664 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCSC2(CCOCC2)C1 1705788370 YMYTYPDLJIYBNJ-UHFFFAOYSA-N 442.629 4.658 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1705832024 KYBSYBXHLBJOCL-QFIPXVFZSA-N 446.020 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)cc(C)cc1C 1705864095 QYKLUJDUMYRLDB-UHFFFAOYSA-N 449.624 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)C1CCCCC1 1705871149 ZMQMQDMXTBBULA-NRFANRHFSA-N 448.409 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1722288751 GOZWYGCFVJIEBJ-VSKRKVRLSA-N 446.643 4.653 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCC[C@@H]1OC 1722375507 DMAOILODCOHLNH-WMZOPIPTSA-N 438.984 4.701 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)=C(C)C1 1722454776 MVSPICYGIZCUGS-UHFFFAOYSA-N 437.432 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 1722499229 HZZGAEZLCQDWOH-YGBDOONVSA-N 430.637 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CC12CCOCC2 1722502344 UBHDRYNIVWPAMJ-MOPGFXCFSA-N 428.552 4.776 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1722545341 BJUBOXNRFYICFB-SUMWQHHRSA-N 437.769 4.848 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1722591138 FNBJEVRKMOZITM-XMMPIXPASA-N 426.630 4.813 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 1722608519 GJYZTGZZXZRBCD-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCN1C[C@@H](C)C[C@H](C)C1 1722636050 CQNMEQONLWRXMO-ROUUACIJSA-N 446.437 4.698 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1722646024 FPPZWIZQPGIWTN-UONOGXRCSA-N 437.407 4.739 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1Cc1ccc(F)cn1 1722657120 RQHKORGXMJQSFY-UHFFFAOYSA-N 444.539 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1722663821 IZYWIPASUDGROJ-SESVDKBCSA-N 428.602 4.755 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCc1scnc1C 1722664367 XPLUDLTUYJQMNN-SFHVURJKSA-N 429.615 4.781 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1Cc2ccccc2C1)C(C)C 1722666853 SCZJYGIARZMSRB-RUZDIDTESA-N 442.611 4.867 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC=CCO1 1722672996 FBBCLEKEVDWSEI-NRFANRHFSA-N 435.959 4.574 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1OCC(F)(F)F 1726964185 BFSLUYHGZJIOJI-IIBYNOLFSA-N 435.494 4.911 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C#N)C1 1727699835 DLXOIRLWUJOXSK-CBPXPLCBSA-N 437.588 4.590 30 10 IJEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](SC)C(C)(C)C)cc1 1730069942 DEQKLBRRKPFKNE-HXUWFJFHSA-N 427.618 4.861 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)CCOCC1 1731059985 AGUNPTCFXWEWHL-RXVVDRJESA-N 439.629 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CCOCC)CCC1 1740551064 SETRYIWKROEXPT-LJQANCHMSA-N 433.556 4.655 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740567134 HHGPUONOQZOAMZ-UXHICEINSA-N 443.389 4.659 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@@H](C)C1 1740575853 QQEDVBTUFYBQNN-HXUWFJFHSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(O)(CC)CC 1740662865 YFVDKGBGXMZCEC-SFHVURJKSA-N 432.996 4.699 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C)s1 1740724069 XLINZZFXVDVFAZ-RTBURBONSA-N 432.659 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)CN1CCCC1 1740728212 QVXRTIAYKPOUFQ-UZUQRXQVSA-N 446.426 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCO1 1740769247 HUWRIGOBTDSASS-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1CSC 1740778619 NZKPFFSEFQLYES-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N(C)c2ccccc2)CC1 1740841089 QQOCGJDPUQGDBY-SFHVURJKSA-N 436.629 4.561 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@H](COC)C1 1740869403 MGSWGNPFPXAURS-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1Cc1cnc(C)s1)C1CC1 1740913635 QIMXIZBZFHZHQS-UHFFFAOYSA-N 427.599 4.547 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(CCC)C1 1740921429 UDBRKZSEPSWZGK-NFBKMPQASA-N 441.595 4.583 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCN(C(C)C)C(C)C)s1 1742214502 FUELLKGQIVWSNL-UHFFFAOYSA-N 436.629 4.942 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(n1)CCCC2 1743912383 CQRGBOZRIASKHB-XXBNENTESA-N 428.584 4.880 30 10 IJEE C#CCCCCn1c(N(CC2CC2)C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748727768 VBLPZUIDZPICTG-BGYRXZFFSA-N 441.620 4.621 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)SC 1748881464 FBQYEHGCQPYSGY-QGZVFWFLSA-N 426.655 4.736 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1c(C)coc1C 1748917785 MCNXZFZDQYTYJG-UHFFFAOYSA-N 430.508 4.835 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCCSC 1749120122 ATSOGGRXZHBEBG-WIYYLYMNSA-N 426.586 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)C[C@H](C)c1nccs1 1749123486 DWIYPJKYIORNGO-ZVDOUQERSA-N 437.613 4.931 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1749135858 IQOWAZPTRQUAIS-MMFZJVMESA-N 448.970 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)N1CCCCC1 1749149109 RORHIGZMCDWFGV-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(F)(F)F)c1 1749155416 FQSKDWWBGIJSFO-GOSISDBHSA-N 438.494 4.564 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1=CCCCC1 1749170999 OEGDHDJRAJLTCT-BGYRXZFFSA-N 429.609 4.952 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)F)C1 1749214055 TYPYVXGXZLJMOA-SJORKVTESA-N 438.494 4.631 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2COCC)CC1 1749345373 FONCBURPVMGLSG-UHFFFAOYSA-N 437.613 4.621 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C 1749557956 PIUGXNKGPROOTE-RBBKRZOGSA-N 429.653 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CCN(CC)C(=O)OC(C)(C)C 1749571864 UDNONYBQDILGOY-UHFFFAOYSA-N 425.577 4.689 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCc1cc(C)cc(C)c1 1749587198 LENJMYRDSFCNLK-UHFFFAOYSA-N 429.568 4.971 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1749755769 LQZRPXICCZUWIH-IMWIBFENSA-N 432.678 4.960 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCC2)C1 1760138045 QGDYNGMSDWKBQR-UHFFFAOYSA-N 441.620 4.577 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCCN(C2CCCC2)CC1 1760141725 GEIZGGXUUPKMRP-UHFFFAOYSA-N 449.643 4.678 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(SC)c1 1760225301 MUIYVHQTQHYKQF-LJQANCHMSA-N 435.597 4.660 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CCC)CCC1 1760233690 OJDSIXQSZXXJAF-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](OC)C1 1760274544 POTKHAZVWXCKHB-OAHLLOKOSA-N 447.029 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC=CO1 1760298469 JNIIREXOBRWGLH-ATIYNZHBSA-N 434.584 4.839 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCOCC(=C)C 1760299413 UCKQPBHJAQJNHQ-JOCHJYFZSA-N 431.005 4.809 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(F)cc(F)c1 1760335654 PIMFWMRFWSSOFJ-PGRDOPGGSA-N 439.510 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1760410358 BHYWZGAKDGWHND-OAQYLSRUSA-N 432.572 4.523 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](CC(N)=O)C1 1760431971 FBKXBHLJQHBMOI-HNNXBMFYSA-N 444.004 4.871 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@H](C)C1 1760484349 WGRGLAKXNIAOGL-URLVKDPJSA-N 442.579 4.770 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CCC(=O)N1CCCCCC1 1760497589 LHVUZKFZVGQGBZ-UHFFFAOYSA-N 437.632 4.603 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCO[C@H](C)C1 1760499088 NRZKIHBXUMLINN-YFNKSVMNSA-N 438.616 4.612 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)C1 1761542393 HBJLJSNUOFWBHS-YCRPNKLZSA-N 434.371 4.809 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(-c3ccc(C)o3)nnc2N(C)C[C@@H](C)C#N)cc1 1761767121 HZGMDMNTLPECGQ-HARLFGEKSA-N 433.556 4.919 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2Br)C[C@@H]1C 1763089078 FAZILOKLXJXDIU-KBPBESRZSA-N 442.386 4.781 30 10 IJEE CCSc1ccccc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(OC)c2n1 1859656239 XAJHPOSRTOKVAV-UHFFFAOYSA-N 443.532 4.974 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CSc3nc(-c4ccccn4)cs3)c2C#N)C1 1860813787 JYAJYJUEPXVBDJ-LBPRGKRZSA-N 426.592 4.994 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1C(=O)O)c1ccc(F)cc1F 1862414508 BHQMTMAPBXJETL-FQEVSTJZSA-N 441.430 4.574 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CC2)cc1OCC 1862437837 AALZALJTBBBIIX-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862556292 SNCYDSZYHDZOJG-JOCHJYFZSA-N 432.545 4.714 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1 1862626958 JGSHMOOQSVCGFV-FQEVSTJZSA-N 427.884 4.693 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2C)cc1F 1862638470 BSEAGXXJDJEPHK-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1862652633 KIIBPHPEZKKLMS-ZSEKCTLFSA-N 439.870 4.591 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862666916 OMVKAIRSJIRPSR-HJPURHCSSA-N 435.520 4.958 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862688190 UTERWASNCVFYOV-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)cc1 1863314144 HSIPMBPGIBLABF-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccc2OC)=C(c2cccs2)C1=O 1863804601 DDXHXLLSTWTLSK-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2cccc(Cl)c2O)c(Br)c1 1866177137 XDQNDARXYBMXEK-UHFFFAOYSA-N 430.483 4.695 30 10 IJEE C#CCOc1cn(CCCCN2CCCC2)c(CSc2ccc(Cl)cc2)cc1=O 1870302340 NQZSPXXZOOIQNT-UHFFFAOYSA-N 431.001 4.682 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCCC1 1870760030 ZYHPFTSRJDRIAA-UHFFFAOYSA-N 439.600 4.822 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1ccc(CC)cc1 1871190761 JVKZPCHPCVRAML-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CNc1ccccc1C 1871204526 CWQDFWGIEBPPSD-UHFFFAOYSA-N 442.515 4.949 30 10 IJEE Cc1cc(O)c(CN2CCC[C@@H](CO)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871398585 KOHHFYGBLJFBDK-CJGNEJFASA-N 448.346 4.828 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(OC)c3)ccc2C1=O 1871441934 QTVDNTLLOAINHY-CFRMEGHHSA-N 445.471 4.728 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871452136 GZBCPIRPZRSOPI-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(C)(=O)=O 1872157785 ORWPOUUZIRHCIJ-GCJKJVERSA-N 429.586 4.621 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1cccs1 1872296882 XBMLWXRXTLMRFF-GOSISDBHSA-N 426.991 4.550 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)c1cccs1 1872535306 ZLUVDMPKJPGDLH-JOCHJYFZSA-N 440.590 4.922 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422574 DLIJHGXZEPJGNA-UHFFFAOYSA-N 439.515 4.675 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2oc(-c3ccc(Br)o3)nc2C#N)cc1 1873462074 MQAWOVWGXBPHQA-WSDLNYQXSA-N 428.290 4.861 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(F)cc1F 1874297296 UJDAGTYAXSJABG-FOKLQQMPSA-N 429.452 4.606 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1Cl 1874424537 QIUCUCASRZJSOB-UFFVCSGVSA-N 434.974 4.834 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2-c2ccco2)ccc1OCCc1ccccc1 1874464023 NGGAYYQSYAHHNF-LFVJCYFKSA-N 434.521 4.772 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)c1 1874495087 UEDQOHJRKJZPFL-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1c(F)cccc1Cl 1874504204 LCJYBRGDJOFFLO-WYMPLXKRSA-N 445.951 4.945 30 10 IJEE CCCNC(=O)COc1c(OC)cc(/C=C/C(=O)c2cccc3ccccc23)cc1OC 1874623451 DLKYRRVAHZXZRZ-OUKQBFOZSA-N 433.504 4.658 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCCCO)c(Br)c2)c(OCC)c1 1874632207 QGGYPQCDBPCBLF-UXBLZVDNSA-N 449.341 4.904 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875102395 TYRGMZQXDADFCQ-SQUSKLHYSA-N 430.884 4.728 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)cc3Br)cc21 1889641317 BLTBPWAUXLDAHX-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE N#Cc1cncc(C2=CCN(C(=O)c3cccc(C(F)(F)F)c3C(F)(F)F)CC2)c1 1890012947 LLDFGWRKKJGJKD-UHFFFAOYSA-N 425.332 4.920 30 10 IJEE N#Cc1cncc(C2=CCN(C(=O)c3ncoc3-c3cc(Cl)ccc3Cl)CC2)c1 1890518120 SGOUUUPBGVPWKV-UHFFFAOYSA-N 425.275 4.845 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 1922069922 VEFQYNGZUJDTGE-MOPGFXCFSA-N 430.511 4.831 30 10 IJEE C=CCC1(NCc2ccc(OC)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 1924552261 RPKKOFOZABFTCD-UHFFFAOYSA-N 439.394 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C=O)(Cc2cccc(Br)c2Br)C1 1980246778 SYHFNUKUVZUABX-QGZVFWFLSA-N 447.167 4.580 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)CC#C[Si](C)(C)C)C1 1987471001 SGIIBJOYJYAVHB-DEOSSOPVSA-N 429.633 4.670 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1991569709 VMHMDWDSDZWTLD-HXUWFJFHSA-N 431.524 4.952 30 10 IJEE N#Cc1ccc(N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(Br)c1 1998965327 YNUSJXCHHOEOPW-MRXNPFEDSA-N 442.235 4.590 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 2020337542 XZNBTRONGHAUKX-MOPGFXCFSA-N 439.641 4.767 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)C=Cc2cccc3cccnc23)n(C2CCCC2)c1C 2042450241 YZZKJNIYHLVVRT-UHFFFAOYSA-N 442.519 4.835 30 10 IJEE C=CCN(CCC(=O)N(C)[C@H](C)c1cc(Br)cs1)C(=O)OC(C)(C)C 2066523027 IGOUUOZZKIIRJY-CYBMUJFWSA-N 431.396 4.843 30 10 IJEE CN[C@H](CC#C[Si](C)(C)C)c1ccc(Br)cc1I 2086148510 BNBBKUMFAYIRLF-CQSZACIVSA-N 436.207 4.585 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(C#N)c(Br)c1F 2105998451 PDTRVMZZAKZOAH-UONOGXRCSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(c2cc(Br)cc(C#N)c2)CC1 2174766992 FFZSJNYKVBSFMQ-HNNXBMFYSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncc(Br)cc2C#N)c2ccccc21 2174809500 ALHYMCGHYJZUMC-MRXNPFEDSA-N 429.318 4.823 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3cc(Br)c(Cl)s3)CC2)OC1(C)C 2223263680 QGNGWXJGLUPCTQ-UHFFFAOYSA-N 434.592 4.862 30 10 IJEE CN[C@H](C#Cc1ccccc1Cl)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2252760965 HXQOYOAAGVQTGD-YSZBQJHXSA-N 442.987 4.778 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(C)cc(NC(=O)OC(C)(C)C)c2)C1 2255187526 VSMFJBDGXZEIIM-UHFFFAOYSA-N 443.544 4.587 30 10 IJEE C=CCCC1([C@@H](N)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2266311072 WQPNHAMPFPGIDS-KRWDZBQOSA-N 425.367 4.661 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266754733 ITGKVMTXHFLICM-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC4(CCN(Cc5ccccc5)C4)CC3)CCC2)OC1(C)C 2266992400 SYJWXLXDPCJPFG-UHFFFAOYSA-N 438.421 4.518 30 10 IJEE CC(C)(C)OC(=O)NCCCc1cccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1 2267567109 ADAKNWHDIXOGAR-RTBURBONSA-N 444.381 4.565 30 10 IJEE CCC(CC)(CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)N(C)Cc1ccccc1 2268997439 NBTDIDDOEDGXSZ-UHFFFAOYSA-N 441.400 4.623 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2279430027 NWIKHMBZJQMKJB-RLLQIKCJSA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2c(Br)cccc2C#N)(C(F)(F)F)C1 2285225559 BFNSQUXCCAHPCT-KRWDZBQOSA-N 448.283 4.922 30 10 IJEE C[C@](CC#C[Si](C)(C)C)(OCCN)c1cc(Br)c(Br)s1 2293611684 FWOCJURMXITZNP-CQSZACIVSA-N 439.289 4.735 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C1CC1 2296218198 BOCNEAUHBZEAHQ-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@@H](O)C#Cc2cccc(Br)c2)CC1 2296227813 SIWIEKIREWWUEK-HXUWFJFHSA-N 436.390 4.979 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2296278750 HLKQKNSMVGZOIJ-RTBURBONSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2296291023 KDHURNKWMKXJTD-OALUTQOASA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2296307943 AQABDNKTBDBBHV-UAFMIMERSA-N 433.390 4.567 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]1[C@H](C)NC(=O)OC(C)(C)C 2296311416 WVZWKEDCVNGVFV-KCUHQSDYSA-N 435.406 4.718 30 10 IJEE COc1ccc(C=C2CCC(=Cc3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC 2297333898 FIXSNVIGQYWEGE-UHFFFAOYSA-N 440.492 4.568 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc(OC)c(OC)c3)cc1)C2=O 2314527300 ONMMTKABBIVZOS-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1cc(OC(=O)c2ccncc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2322828309 SIMSEGGONJWRQW-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OC 2323580278 SJCYCWBOBQNNQX-UHFFFAOYSA-N 439.552 4.936 30 10 IJEE CCCOc1cc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)ccc1OC 2323874099 JTSVAWYCBUBDHQ-UHFFFAOYSA-N 425.510 4.840 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1cc(OC)ccc1OC)C2=O)C(=O)O 2324782025 WZJRHQVXZUOZLP-FQEVSTJZSA-N 426.465 4.651 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccccc1OC 2325721530 VJGINIVFVCCTOC-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2326274568 NTELUTXRAMOBQM-VVZHRXSXSA-N 442.600 4.945 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1ccc(OC)cc1 2326470621 NKIUBECTMFEFEV-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326730099 SSXZKUNURUAWPA-UHFFFAOYSA-N 434.924 4.825 30 10 IJEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(O)cc1O 2326911227 KCXVNRMDXMXFTC-UHFFFAOYSA-N 438.597 4.999 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(F)c1 2326934654 SMRPHERDIUIWGG-UHFFFAOYSA-N 428.577 4.533 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2328074832 CEUQHBLNZIYSDJ-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2328554069 IZAKNGAYSDOVTL-UHFFFAOYSA-N 446.960 4.836 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(O)c1 2328895874 HOAZUAOZNPTNEY-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccccc1 2328977990 ZRCCULUCDPYLDF-UHFFFAOYSA-N 436.581 4.608 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1Cl 2330008222 ZJJWQRZBOCNQRQ-UHFFFAOYSA-N 449.363 4.631 30 10 IJEE C=CCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330121800 PEICOOVYDAZJHD-MRXNPFEDSA-N 438.553 4.616 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2OC)cc1 2331183873 YOORHUNEIBDWOH-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2cccc(F)c2)o1 2331392301 ONXVKVRYZMUWLM-UHFFFAOYSA-N 430.505 4.659 30 10 IJEE O=C(COc1ccc(Cl)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331432557 HIKPPLISJDXRAH-UHFFFAOYSA-N 436.847 4.949 30 10 IJEE CC(C)c1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1c(F)cccc1Cl 2331703651 IUDHGYVGUAJUEL-UHFFFAOYSA-N 437.972 4.617 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1C 2331836448 KXBWEIXNGIJIKJ-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE CC(C)(C)OC(=O)N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CC1CC1 2339581265 JIQOLZHZFZIRKE-UHFFFAOYSA-N 444.381 4.752 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339594279 RLSPJCCCYNQOGF-JKIKYLSZSA-N 443.397 4.610 30 10 IJEE C[C@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1cccc(Br)c1 2364849222 OURIWGSOYZTMLH-LBPRGKRZSA-N 437.574 4.970 30 10 IJEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)ccc1O 21241459 JEUOUKNXYABYJQ-QUCCMNQESA-N 435.520 4.582 30 10 IJEE COc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)S2)cc1 33928646 RPGWYEKDABJOHB-JJFYIABZSA-N 447.516 4.723 30 10 IJEE C=CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 35239179 OIKXVEVBHLOFPW-WYMPLXKRSA-N 438.380 4.955 30 10 IJEE COc1cc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)cc(OC)c1OC 39862657 NUFROFIUYZBMEL-UVFCNREVSA-N 447.516 4.916 30 10 IJEE CCOC(=O)c1c(NC(=O)CSCc2ccc(C#N)cc2)sc2c1CC[C@H](C)C2 96549580 CGZLZJDKMAAIIL-AWEZNQCLSA-N 428.579 4.793 30 10 IJEE CCCCCCCC(=O)N1CCC(N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)CC1 102992043 KYIWWEYHVPWQNC-UHFFFAOYSA-N 443.632 4.697 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2cccs2)c1 169928713 LTRRPNBBJJMHBT-GOSISDBHSA-N 440.546 4.609 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1OC 169949676 KUXZWMPDHUXPMK-HSZRJFAPSA-N 446.503 4.706 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 169975661 XHXMRMOORKOCSD-HSZRJFAPSA-N 434.580 4.686 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccc(O)c2)ccc1F 170082264 WHYLSKJAQIHKIQ-NRFANRHFSA-N 439.389 4.901 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(OCC(C)C)cc2)C1=O 170117802 VPBUBRRUEFFQKJ-UHFFFAOYSA-N 440.927 4.761 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2OC)cc1C 170123878 BDRUWVMOWGNNAD-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2F)c1 170249326 DAYAMTOIWWQULI-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1cccnc1)c1cccs1 170353592 HXCAMBSZYFHSLI-QGZVFWFLSA-N 446.406 4.825 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccncc1 170374280 SSRFZVGYKJZDSR-IBGZPJMESA-N 435.277 4.627 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2C)c1 170399066 HXABKQQWRCFZOO-OAQYLSRUSA-N 431.444 4.548 30 10 IJEE CCN(CC)c1ccc(N=Nc2sc(C=O)c(Cl)c2C#N)c(NC(=O)COC)c1 256002652 SXIKWSUXCBSFTQ-UHFFFAOYSA-N 433.921 4.932 30 10 IJEE CC1(C)OB(c2cc(F)ccc2NC(=O)c2ccc(OCc3ccccc3)cc2)OC1(C)C 404911854 KFPHDQVZSAGBJF-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cc2c(cc1Br)OCCO2 426124223 CEFTZIXOEMPDNQ-JTQLQIEISA-N 436.693 4.628 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)cc1Cl 492107220 OPNZVIBVHXHVAP-SJLPKXTDSA-N 431.870 4.628 30 10 IJEE C=CCCc1ccccc1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3 504296678 UQDGUJZBYOQYQH-UHFFFAOYSA-N 425.579 4.876 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 515333414 OTDOXQFYOAOZFT-HSZRJFAPSA-N 443.551 4.895 30 10 IJEE COc1cccc([C@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490314 LUTWUCLLRXPPDX-QHCPKHFHSA-N 442.471 4.641 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(C)c2)c(OC)c1 526607907 ZRUPUCDXPCMJFY-XMMPIXPASA-N 426.472 4.941 30 10 IJEE C[C@H](Oc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1)c1ccccc1 527363908 CYVFQPQBPJACOT-NWLLBJEDSA-N 442.519 4.608 30 10 IJEE C=CCOc1c(Br)cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OCC 539926656 ATMOHIVUBBNTJB-QFBILLFUSA-N 434.378 4.692 30 10 IJEE N#Cc1cccc(Cc2nc(Cc3nc(O)c4c(-c5ccccc5)csc4n3)no2)c1 546249453 GDVOYEJQYOBSPA-UHFFFAOYSA-N 425.473 4.500 30 10 IJEE CCOc1ccc(S(=O)(=O)N(CCCC#N)Cc2cccc(C(F)(F)F)c2)cc1 586150078 SPPJYXPVUDMBAF-UHFFFAOYSA-N 426.460 4.599 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CC#N)c2ccc(OCc3ccccc3)cc2)cc1 586256667 LPVZWGVJUQEIRG-UHFFFAOYSA-N 436.533 4.772 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OC 609643952 BJXJZYVPSKKDGT-GOSISDBHSA-N 430.504 4.515 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](C)C3CC3)cc2C1=O 614682907 PYGKPKNIWULVBZ-AWEZNQCLSA-N 442.437 4.933 30 10 IJEE C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](NP(=O)(OCC)OCC)c1ccnc2ccccc12 642771834 JFCVDRVNJCMKJF-HTUUBCJYSA-N 429.501 4.943 30 10 IJEE Cc1cc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c(C)n1-c1ccc(C#N)cc1 728267774 CLGNIWXBRKFCMP-UHFFFAOYSA-N 436.515 4.870 30 10 IJEE CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1cc(Cl)ccc1OCC#N 735308885 XCQGDVQJUTZOGA-UHFFFAOYSA-N 426.923 4.847 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764751775 NUELZQGDWSIBAG-CYBMUJFWSA-N 445.306 4.665 30 10 IJEE CC1(C#N)CCN(Cn2nc(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2=O)CC1 779880250 YVDGNEDKANFCFP-UHFFFAOYSA-N 427.335 4.953 30 10 IJEE CC1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)CC1 781028165 MZPKGIFFKMZHRE-DEOSSOPVSA-N 443.547 4.552 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1 810184851 CYEQFQVGSZGHOF-JOCHJYFZSA-N 438.936 4.810 30 10 IJEE COc1ccc(N=C2S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1Cl 1084372595 SCFNVVAQJUICIZ-INIZCTEOSA-N 438.336 4.592 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1124881289 XYMSDIBOLKZQBM-UHFFFAOYSA-N 448.588 4.795 30 10 IJEE C=CCc1cc(C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)cc(OC)c1OC 1126031908 GTWLNYMKEGUPKC-UHFFFAOYSA-N 427.497 4.676 30 10 IJEE O=C(N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H](F)c1ccc(C(F)(F)F)cc1 1126720159 CHYWYJPEIXMZLY-PBHICJAKSA-N 448.338 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 1128431673 DNFXETQEYQAQBM-QMMLZNLJSA-N 430.342 4.667 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)C(F)(F)F)cc1 1128865817 CTORQSYGYICGDJ-NRFANRHFSA-N 428.385 4.942 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 1130825202 ZPBAKDIFZYQYKX-OAQYLSRUSA-N 448.346 4.917 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 1136323295 XBUBMFYGXGQHNY-GOSISDBHSA-N 449.979 4.504 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC1CC1 1137068691 KJQOTTILJJLJGP-QHCPKHFHSA-N 438.955 4.953 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(COc2ccccc2)cc1 1141695402 XEAXZABLPJBBRX-OAQYLSRUSA-N 444.959 4.918 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C12CCC2 1163819285 HDIXJVOJSSMTDE-VXKWHMMOSA-N 431.536 4.791 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 1196281739 YFZBEJXRSNLNOP-INIZCTEOSA-N 439.409 4.545 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CC)c1ccccc1OCC(=O)N1CCCC1 1223818273 FORFMKSMDOEMRI-FCEUIQTBSA-N 427.589 4.573 30 10 IJEE C=CCn1cc(CNC(=O)N[C@@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)nn1 1227841631 PMKRANHQAYLURW-ZDUSSCGKSA-N 435.475 4.772 30 10 IJEE C#CCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1251568599 VWVPNFUZTQCQMY-UGKGYDQZSA-N 427.589 4.792 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(C)cc2OCCOC)s1 1264714682 WCBGZETVIUXMPH-UHFFFAOYSA-N 426.991 4.811 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3c(Cl)ccc(Cl)c3Cl)c2C#N)C1 1280418339 WRPSIGOVNGEMHX-UHFFFAOYSA-N 428.728 4.737 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(F)F)C1 1286497305 OVZPDNMFEZIABI-RTBURBONSA-N 448.583 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(OCC)CCCC1 1286571568 OUGPJOQJKPFKCP-UHFFFAOYSA-N 434.588 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1286669597 LLEOJWHUSXZUBA-FQEVSTJZSA-N 427.499 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1286671929 CBFRKSNCJGAHAK-NRFANRHFSA-N 437.632 4.725 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)C1 1286692782 NVORTBLQKCTXAH-ZDUSSCGKSA-N 425.371 4.755 30 10 IJEE CC#CCCCC(=O)Nc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)cc(Cl)c1Cl 1287339204 FSQGFMSBXDTKNS-QGZVFWFLSA-N 440.415 4.832 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1288557492 DOCDVZSRBWRKDR-ROUUACIJSA-N 435.597 4.761 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCSC1 1288952992 GUDUXLKTZNKQIM-MJGOQNOKSA-N 443.592 4.830 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C)c1ncc(C)s1 1292580296 FNXUZCXDOUSZDP-SJORKVTESA-N 438.601 4.584 30 10 IJEE C=CC1(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CN(C(=O)OC(C)(C)C)C1 1292634662 FNWDOIJMZHKAPQ-UHFFFAOYSA-N 441.553 4.752 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCS1 1300317713 UDGGDMZLLBGICI-MJGOQNOKSA-N 433.021 4.605 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1300340974 AQNUPGDDPSOVKC-HSALFYBXSA-N 442.629 4.951 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@](C)(OC)C1 1300344618 FJBSIAHUKUZAST-NRFANRHFSA-N 449.368 4.656 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)(C)C)CC1 1300383657 DLJOPILJNYNAFI-LJQANCHMSA-N 444.023 4.796 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H]1CC 1300664407 AQMHZGPBKJPGFL-ZWKOTPCHSA-N 445.405 4.620 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1301023059 BPGWLUMBQKOZDK-IBGZPJMESA-N 439.972 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(CC)(CC)OC)CC1 1301075209 XOIKGEKFJDUXHM-UHFFFAOYSA-N 428.577 4.714 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOCC2(CCC2)C1 1301175131 ZFQBIJCFOKDGAM-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCO[C@H](C)C1 1301176767 KPXURSAMNVWNRD-OAHLLOKOSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1CCSC1 1301207564 ZOFPNSCGKMYMRB-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1301248760 KULKTZOHGVICMF-UHFFFAOYSA-N 447.505 4.808 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CCCC3 1307261573 VOOQLIKCNJSYDZ-INMHGKMJSA-N 445.654 4.698 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2Br)nnc1-c1ccoc1C 1307263661 HXHXGAWRULHYMY-MRXNPFEDSA-N 448.342 4.801 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 1308809265 MDZNVWVNCYDKHO-CYBMUJFWSA-N 434.290 4.751 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 1310623458 AJLCPSDMFLCHDW-JOCHJYFZSA-N 441.959 4.522 30 10 IJEE C=C1CCC(CNC(=O)Nc2cc(Br)cc(I)c2)CC1 1311050304 KBHNGWFGKXEBMY-UHFFFAOYSA-N 449.130 4.922 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 1312805319 DNZTUIRKWIEKGN-NRFANRHFSA-N 429.351 4.848 30 10 IJEE C=CCCC[C@@H](NC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1)c1ccccc1 1313217898 AQNNUFWGTSGCAZ-RUZDIDTESA-N 432.612 4.738 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc(OC)c1OC 1350142557 LFRJYDCCMPFKGF-UHFFFAOYSA-N 442.559 4.925 30 10 IJEE C=CC[C@@]1(C(=O)NCCOc2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1350807936 YUAKJHIGJVMBJW-NRFANRHFSA-N 442.478 4.546 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 1352661635 SIQOFICSPTUJLT-UHFFFAOYSA-N 427.353 4.836 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)c(OC)c1 1353740311 UBDOMIOEDLOQBB-UHFFFAOYSA-N 429.538 4.558 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)cc1 1354566184 UTEYSRRSIMFSOJ-NRFANRHFSA-N 434.989 4.915 30 10 IJEE COc1cc2c(cc1OC)CN(C(=O)c1ccc(Oc3ccc(C#N)cc3C)cc1)CC2 1354830183 CUYVZBXHIQEXGR-UHFFFAOYSA-N 428.488 4.875 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)CCCN1C(=O)OC(C)(C)C 1355773211 CPUPGBAYFUZVAY-SANMLTNESA-N 444.535 4.757 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)CCCN1C(=O)OC(C)(C)C 1357946664 UOYRHVLAPPFWNK-VWLOTQADSA-N 443.588 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@@H]1C(=C)C 1358875325 NPBWIQCZIHXMBL-IOMROCGXSA-N 447.608 4.816 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1358907021 ALWJJZRKUDKIEK-FQEVSTJZSA-N 444.608 4.565 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](CC)C1 1359051965 PQCNOHHWHVXQJZ-LJQANCHMSA-N 436.581 4.720 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC(C)C)CC1 1359117593 IPPJJYAKZCDSHO-UHFFFAOYSA-N 432.616 4.707 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1359132226 QSYWXPYEKCVWAI-UHFFFAOYSA-N 426.458 4.933 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1359168719 GXYVJYJSGFQFHL-UHFFFAOYSA-N 447.436 4.615 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCSC[C@@H]1C 1359223891 YYCISFUFBCVGIV-SJORKVTESA-N 432.659 4.666 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)c(F)c1 1359264114 UYMFVWXJYXSKSN-SFHVURJKSA-N 442.560 4.622 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@H]1CSCCS1 1359276484 DULVEGFZKWKTHW-HXUWFJFHSA-N 426.611 4.622 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1359277117 CEPKTMPDIZCTTJ-RTWAWAEBSA-N 427.637 4.815 30 10 IJEE C=CCOc1cccnc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1360703593 KHIOGTBIPTZBPO-UHFFFAOYSA-N 428.467 4.568 30 10 IJEE C=CC[C@]1(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CCCN1C(=O)OC(C)(C)C 1361054148 DNKZNYGUAKPVBW-HSZRJFAPSA-N 444.963 4.869 30 10 IJEE C#CCN(C(=O)CCc1cccc(OCC)c1)[C@@H]1CCOc2ccc(Br)cc21 1435176554 VZDKILYQYAVPKK-OAQYLSRUSA-N 442.353 4.766 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1 1435622616 TWSIRIIYVJNXPA-PZJWPPBQSA-N 430.470 4.878 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl)OCC 1436028127 DAYYKXILKZSOGI-VQTJNVASSA-N 436.980 4.832 30 10 IJEE C#CC(C)(C)NC(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1444085879 HWSPPMXVZLUOOM-QFIPXVFZSA-N 436.939 4.564 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 1452020595 CGLGIMPBRJSFHK-SFHVURJKSA-N 425.573 4.739 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CC)C2)c1 1457328145 MEQRBAWJQAOEHC-SFHVURJKSA-N 447.000 4.984 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(C)cc2OCCCCC)CCCN1C(=O)OC(C)(C)C 1457948021 MEHLKPRUSALBOS-AREMUKBSSA-N 442.600 4.973 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21 1458358538 MOZYOJGIWWRWLV-UHFFFAOYSA-N 434.462 4.732 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 1460842337 AEHLHNCMJSFDQN-RCZVLFRGSA-N 426.516 4.546 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cc(I)cc(Br)c1C 1463200521 AFIFQCUHHCMPCR-ZDUSSCGKSA-N 448.142 4.933 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](c2ccccc2F)C2CCCC2)c1 1463283513 HUGXEJJBBGXFNW-LJQANCHMSA-N 437.334 4.670 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)OC(C)(C)C 1464616183 RWIVIJUSCISOOH-MSOLQXFVSA-N 430.545 4.784 30 10 IJEE CCN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[C@@H](CO)c1ccccc1 1465516088 AQYPOARITKEXJK-QHCPKHFHSA-N 433.483 4.864 30 10 IJEE Cc1nc(-c2cccs2)ccc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1467699134 FAOIPLISDFQGJL-OAQYLSRUSA-N 436.968 4.795 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(Br)c(C)cc1Br 1468482139 IGOFNCXXMMMSCD-OAHLLOKOSA-N 429.152 4.660 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 1469272962 AHEITWIKRGYKLR-HOYKHHGWSA-N 442.519 4.670 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2c2nc3ccccc3n2C)cc1C 1473233273 ICHIKMRYHUJUKC-XMMPIXPASA-N 429.568 4.664 30 10 IJEE CC[C@H](CNC(=O)Nc1cc(OC)c(C#N)cc1F)Oc1ccccc1C(F)(F)F 1476907997 CRVCFSYBDPPXHB-CYBMUJFWSA-N 425.382 4.704 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1477257032 IXWQCSRSNHZTNR-NJYVYQBISA-N 446.016 4.534 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1477862617 OTBBJWGUPUKXSG-QFIPXVFZSA-N 429.967 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC[C@H]1C 1507521810 QJKQRIMIMSTLTB-PMPSAXMXSA-N 431.378 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1(OCC)CCCC1 1507762039 NRTVPSLAAKXMGE-HSZRJFAPSA-N 442.991 4.949 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507806154 RLCQGYSDGSTSFN-FXKZBUDASA-N 430.543 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1507811312 PQCQLZMKBMTRCR-HROGELHOSA-N 430.593 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1C 1507816805 OGISMPNXQMSWBK-UXHICEINSA-N 448.615 4.904 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1507829099 QVWDWGDFYKASLK-PMACEKPBSA-N 448.615 4.534 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1507841340 VKMIBXNIBGZLBO-CALCHBBNSA-N 449.368 4.532 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCSC2)CC1 1507878751 OVLVMMDFPGQCIU-SFHVURJKSA-N 428.602 4.652 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC(C)C)CC1 1507905947 DMHAEXGFYQFQFW-UHFFFAOYSA-N 434.588 4.684 30 10 IJEE C=CCCCn1c(N2CCc3sccc3[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1507953531 KBJJXVVTPWWTBI-WMZHIEFXSA-N 430.618 4.860 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1sc(C)nc1C 1508008470 ORPYUGYABYAWDG-SFHVURJKSA-N 443.642 4.742 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCSC(C)C 1508020614 NRTAVLMCXVAJOR-SFHVURJKSA-N 435.638 4.670 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC1CCOCC1 1508151613 ZABDBIDHNVZKET-KRWDZBQOSA-N 446.686 4.913 30 10 IJEE CC(C)(C)CCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508602784 DEGURXUKTQHFMS-QHCPKHFHSA-N 444.583 4.540 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCC2(C)C)c1 1510582845 HQKAWZIJUCCGRZ-NTKDMRAZSA-N 425.552 4.742 30 10 IJEE C=CCC[C@@H](C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1514716141 ASFREHUHJSVHCM-CTNGQTDRSA-N 441.369 4.729 30 10 IJEE C=CC[C@@]1(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)CCCN1C(=O)OC(C)(C)C 1520609836 CTEJUCISIPLEKW-DEOSSOPVSA-N 443.975 4.983 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1522702911 VVEGCHBGEBYENS-UQBPGWFLSA-N 445.604 4.857 30 10 IJEE CC(=O)c1sc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)nc1-c1ccccc1 1525782323 AWWMTNLCPOEDIG-MRXNPFEDSA-N 442.541 4.538 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 1527931501 GEKXOBCLRHVNCJ-RDGATRHJSA-N 438.543 4.739 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CCCN1C(=O)OC(C)(C)C 1529560898 GOWOPEQNBAIAOX-LJQANCHMSA-N 446.853 4.970 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)C(=O)OCC 1533738586 KUKDMMNLUNYLCG-MRXNPFEDSA-N 431.945 4.677 30 10 IJEE CCc1ccccc1O[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 1537881380 DWRGFZJZWRJZJQ-BDYUSTAISA-N 439.559 4.606 30 10 IJEE C#CCN(C(=O)Cc1ccc2cnccc2c1)[C@H]1CCOc2ccc(Br)cc21 1538198958 NQTUFTJLNAKJNF-NRFANRHFSA-N 435.321 4.525 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1538984607 MEUVVQOGHWAPEA-HBMCJLEFSA-N 433.600 4.907 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1539051807 HVSBJEPYEDFVNA-QGZVFWFLSA-N 443.389 4.516 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1coc(-c2cccs2)n1 1539161700 OTAVVRRVZPXKKP-UHFFFAOYSA-N 427.892 4.572 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccccc1F 1539505628 ZGPTVQWMNXCTNZ-UHFFFAOYSA-N 429.952 4.526 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@H]2C)ccc1Cl 1539680169 CEMAJBCXZQNPAM-IEBWSBKVSA-N 447.000 4.887 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539728048 BXVMMDFPFUWBRF-MRXNPFEDSA-N 428.886 4.970 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC)C1 1539759953 OZMSZWHOFPBYCI-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1539801768 HYKRNXCWUGCNKR-NRFANRHFSA-N 428.964 4.965 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCn2ccnc2C)CC1 1539840284 QSSPDLTZJTVEQJ-UHFFFAOYSA-N 434.588 4.732 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCN1CCC 1540056452 HVPQQYOPPGYSKA-HNNXBMFYSA-N 438.439 4.656 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1C[C@@]1(N(C)C)CCSC1 1540134380 RGTCKSNZBDFSHY-JPYJTQIMSA-N 431.625 4.561 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1C[C@@H]1CCOC[C@H]1OC 1540140906 WIECNACTBLVAKH-SIKLNZKXSA-N 438.597 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCC[C@@H]1C 1540154580 ZQZSPDHMXKJRMI-BTYIYWSLSA-N 449.368 4.576 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCOC[C@H]1C 1540187953 YIUQWWAUAMYKFB-GGAORHGYSA-N 434.584 4.678 30 10 IJEE C=CCn1c(N2CC[C@@H](c3ccccc3)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861053 ZUASQARPUAANQL-AYWYSENESA-N 437.588 4.617 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3Cl)n2Cc2nccc(C(F)F)n2)C1 1541988868 AUZMJHLQMYJARP-OAQYLSRUSA-N 443.889 4.504 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(CC)CCC2)c1 1543598749 FGPHYPCKJMTUTB-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1559829202 NGXYJLBNBIMTTE-UHFFFAOYSA-N 430.896 4.654 30 10 IJEE C#C[C@H](NC(=O)NCc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 1563672157 VAOLHBNLKBVSLH-KRWDZBQOSA-N 426.339 4.746 30 10 IJEE COc1ccccc1[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1565080233 FXVWJBPCOKDGHT-BJKOFHAPSA-N 429.495 4.974 30 10 IJEE C#C[C@H](NC(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccc(Cl)cc1F 1568899021 YQQNRZQWXWDCIF-FQEVSTJZSA-N 446.906 4.720 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 1584641541 FMNGLJPXLHFMJY-UHFFFAOYSA-N 439.313 4.724 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1F 1584727619 SOAICEHEIUGQKQ-INIZCTEOSA-N 430.888 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H](C)N1CCCCC1 1587562414 OULRAWDNFBCDOA-UFYCRDLUSA-N 444.023 4.794 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1587723325 IRSAWXGPGSOEPL-IRXDYDNUSA-N 433.383 4.918 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1587884334 VHIYDTIAOOCOAX-XZOQPEGZSA-N 436.600 4.850 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)c(Cl)c1 1587931996 IPXBCQUPVIKTQD-OAHLLOKOSA-N 441.000 4.911 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1CCC(C(F)(F)F)CC1 1588200230 IHMQEQYWBOXQNZ-UHFFFAOYSA-N 449.908 4.825 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1nc(C)cs1 1588254414 WBXYTQUWDIFTAN-IBGZPJMESA-N 449.649 4.910 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCC1CCOCC1 1588288986 UDZWZZNBVFTSJX-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CCCCC1 1588293091 MQNWFXRROZZTJV-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OC)C1 1589347031 CLZCRNPETRQNOT-CYBMUJFWSA-N 446.176 4.776 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C)CC1 1589568880 NAAKTDRILKIRRX-AVRDEDQJSA-N 430.980 4.728 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCCCC1 1589569624 PQGKUROPTZXNFK-WIOPSUGQSA-N 449.599 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)[C@H](C)CC 1589615009 ISUOFXJBPIYOFS-AUUYWEPGSA-N 441.439 4.969 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)CN(C)C)CC1 1594202767 UBCFVLGNIAYVMW-UHFFFAOYSA-N 432.616 4.792 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2N(C)CCCC2(C)C)CC1 1594240951 CNDOOEHPWDFYJI-JOCHJYFZSA-N 443.586 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1594454742 HSVDKWASDQYZDQ-VQFNDLOPSA-N 432.410 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSC2(CCOCC2)C1 1594473659 WCVFTRSENHNVQY-UHFFFAOYSA-N 448.036 4.698 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1594497652 LFHLYPIZQNUUDJ-FPOVZHCZSA-N 426.605 4.850 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@@](C)(CC)O1)C1CC1 1595026159 DSXATYJLUZGRIY-OXQOHEQNSA-N 434.382 4.538 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(F)(F)Br)C1CC1 1595026512 NEAJMFBGJSFBJG-GFCCVEGCSA-N 445.283 4.700 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C 1595075661 JKOXXEKJGNNDSQ-URXFXBBRSA-N 447.583 4.602 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCCN1CCCC[C@@H]1C 1595116865 WFUBMCFRFFADHP-LADGPHEKSA-N 437.632 4.977 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1595250531 FVJCPYFALXGSMQ-REWPJTCUSA-N 437.588 4.563 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C 1598443601 XPCMRCPITULHLT-KRWDZBQOSA-N 446.598 4.551 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(C)CCCO2)C1 1611765191 GVFOXZKKJKJHTJ-RTWAWAEBSA-N 434.371 4.951 30 10 IJEE CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNc1nc(C(F)(F)F)ccc1C#N 1612403777 CRQPEJOCSPQAJH-KRWDZBQOSA-N 429.446 4.507 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1ccc(OC)cc1 1613215214 IUWBFODKCRGDSZ-LJQANCHMSA-N 440.956 4.691 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 1616287832 XJWZXNATPRWOSY-NRFANRHFSA-N 444.362 4.797 30 10 IJEE C=CCn1cc2ccc(NCc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)cc2n1 1621082274 UXCVCQGVMHOVTG-IBGZPJMESA-N 436.556 4.986 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2ccc3c(Br)cn(C)c3c2)CCCC1(C)C 1622084371 WSUITUPYXLXTGL-GOSISDBHSA-N 425.392 4.696 30 10 IJEE COc1cccc([C@H](CNC(=O)c2csc(C#N)c2)c2c[nH]c3ccccc23)c1OC 1623882053 BCURUEAYZBXMIT-FQEVSTJZSA-N 431.517 4.680 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1(N(C)C)CCCCCC1 1628752096 CZGNFHCDUMGVQG-UHFFFAOYSA-N 440.401 4.940 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)c1ccc(OC)cc1 1629495420 JEZJSNVQYBTINI-QHCPKHFHSA-N 436.552 4.578 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(C)C)[C@@H](C)c2ccccc2Cl)cc1 1631144712 COXYTAWWTLZGEI-KRWDZBQOSA-N 434.989 4.664 30 10 IJEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 1632277694 BMYXTPNCCWSBBU-SANMLTNESA-N 439.559 4.526 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 1633041005 YVZXRFYJUSSIRQ-HXUWFJFHSA-N 442.357 4.819 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccc3ccsc23)CC1 1633103359 BXVHTZSYGADVSS-LJQANCHMSA-N 440.366 4.686 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 1633435445 UMTZPCWCWGYHRN-YJBOKZPZSA-N 426.479 4.922 30 10 IJEE C=C[C@H](CC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)c1ccccc1 1635199086 RXOWOHVQRYGLSO-IERDGZPVSA-N 426.479 4.795 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 1635217658 VYBXMRDZBNHIKY-UHFFFAOYSA-N 442.361 4.835 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1639967246 WKHJJAJZMKIIDH-NRFANRHFSA-N 430.508 4.947 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)cc1 1640362260 IUKGMLPXPIAOBY-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE N#Cc1ccc(-c2ccc(Cl)s2)n(Cc2noc(-c3c(F)cccc3Cl)n2)c1=O 1644037028 BWPHMWBILNWNKO-UHFFFAOYSA-N 447.278 4.993 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(OC)C1CC1 1649540676 YOMJOROCWQHPRA-DWXRJYCRSA-N 431.584 4.626 30 10 IJEE CCN(CC)C[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 1652591674 HGTAXDGJJRPNFE-RTBURBONSA-N 444.689 4.763 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1 1661341749 STHVLJTYOCAZCE-QGZVFWFLSA-N 435.414 4.989 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1667060931 IKXXGJVRZMDWBQ-WKRCXCSHSA-N 433.618 4.513 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)cc1Cl 1667397775 GQQVFHJCHVAUMO-HXUWFJFHSA-N 443.898 4.743 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1668360475 XLQSNGHHGWICPG-XMSQKQJNSA-N 436.980 4.569 30 10 IJEE Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)n(-c2ccccc2)n1 1671214275 CTFODEHSXMBZRI-CQSZACIVSA-N 438.329 4.568 30 10 IJEE CCOC(=O)C[C@@H](NC(=O)Nc1scc(C)c1C#N)c1cccc(Br)c1 1671651234 DLYBYCNWNISOPX-OAHLLOKOSA-N 436.331 4.507 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(Br)ccc1Br)c1ccc(F)cc1 1681753248 QUNQCEYOZMKILW-INIZCTEOSA-N 440.110 4.524 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 1685661985 VWWCFKUSBOQGOX-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1687263732 FYJUJLKHKPHZBS-NRFANRHFSA-N 440.588 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1cccnc1Oc1cccc(F)c1 1690049080 YKKZEASUBJWEHT-UHFFFAOYSA-N 445.542 4.704 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1690071147 PEZFEIMWGHBHMT-UHFFFAOYSA-N 446.643 4.654 30 10 IJEE C=C(Br)Cn1c(N2CC(C)(C)OC[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1690233892 VCKUGPGUVICMLT-KRWDZBQOSA-N 445.405 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCC[C@@H]1CC 1690258760 SJNBEZKXMNWZKT-FQEVSTJZSA-N 426.565 4.520 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1690366017 NJGCHVHMRITBPD-QGZVFWFLSA-N 445.995 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCC(=O)NC 1690420993 VKKFCSJYPBJNHU-UHFFFAOYSA-N 448.615 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1 1690437909 SRPOWJATHJWDJJ-UHFFFAOYSA-N 444.023 4.787 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1690445018 QABRBXNTDAFKLR-RBUKOAKNSA-N 432.490 4.841 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690454070 SYGVFSPKQYKJPB-UHFFFAOYSA-N 434.588 4.910 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690472376 MIQBLFMUCSHWHF-IEBWSBKVSA-N 438.494 4.769 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1690500102 LFUGYZXKMSGQEK-BJLQDIEVSA-N 444.645 4.728 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCSC)C1CC1 1690545703 WXMIHEJMMCVFGB-GOSISDBHSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC)c1ccccc1 1690577082 BGFCYQRDAIHSCN-WIYYLYMNSA-N 435.597 4.677 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690684399 FILZYEMFJPAPAG-RBBKRZOGSA-N 440.588 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](OC)C(C)C 1705484681 UEOZSEVGUVFWNS-APWZRJJASA-N 426.561 4.942 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1705782052 NITHOYKZZJYRDU-MOPGFXCFSA-N 438.469 4.806 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705795326 HNLGINZGLUSDPY-BHDDXSALSA-N 429.653 4.823 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705813086 VHTAGUKQOPSINP-PKOBYXMFSA-N 428.577 4.952 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1705825607 XZBZTLIAEYCNOY-IBGZPJMESA-N 441.595 4.555 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1705828413 MYWMKRRLXXJDBU-QFIPXVFZSA-N 439.629 4.607 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCN1C1CC1 1705848598 LVWBUVVXQYFXCX-JOCHJYFZSA-N 437.632 4.928 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@H](C)C1 1705866561 UBWGDHSUQZFACX-SBHAEUEKSA-N 430.618 4.979 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1nc2cc(Cl)ccc2s1 1705881877 FCICDBYIDYTASS-UHFFFAOYSA-N 443.960 4.797 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1CCc1cc(C(F)(F)F)ccn1 1706462503 FNEDWAGFMMROGL-UHFFFAOYSA-N 436.526 4.998 30 10 IJEE CSC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1712762053 FGFKVOGGKBZOMX-OAQYLSRUSA-N 427.643 4.905 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1722331736 RBEJAVDKBMIGAA-UHFFFAOYSA-N 446.530 4.560 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1722450986 DYPWPIROKNWQGY-HUUJSLGLSA-N 442.604 4.939 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)CCC 1722496234 WHAMXULBDLAMDR-QAPCUYQASA-N 436.398 4.643 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1722528991 RMYULJCEOCTKSZ-UHFFFAOYSA-N 425.964 4.785 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722587715 YCKOQHPGOCXEQG-SFHVURJKSA-N 444.023 4.942 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(F)(F)F)CC1 1722604505 BUTRDXJJWNAIAL-LJQANCHMSA-N 436.478 4.926 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1722604661 HUHODPRFDQHMEA-WOJBJXKFSA-N 447.624 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(N2CCCC2)nc1 1722670338 HMGYILTZYUYJNQ-UHFFFAOYSA-N 449.002 4.744 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722703664 YZJVELMPRRVYNI-HOTGVXAUSA-N 431.968 4.524 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1722719294 SLXKVQIOYLKNRT-HSALFYBXSA-N 432.653 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)CCC 1740762439 TZOCBPNDWVVNPF-NNLJWKLDSA-N 440.588 4.644 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)COC)CC1 1740835483 UJVSZEXCNXRETL-UHFFFAOYSA-N 433.394 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1740849901 ZYWXANDCAZIRFY-UHFFFAOYSA-N 427.612 4.921 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCSC[C@@H]1C)c1ccccc1 1740854403 GMLPGSYBQLRLSF-FXAWDEMLSA-N 439.654 4.935 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740868141 FKQWCHUSXWJNHJ-WOJBJXKFSA-N 442.007 4.844 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1740872295 GAJZLHUFDOLBBB-UHFFFAOYSA-N 439.579 4.669 30 10 IJEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1740876236 PICIEOUJVKCCQV-HUUCEWRRSA-N 441.523 4.608 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccsc1 1740879443 LREFZYSTHGFZRI-KRWDZBQOSA-N 427.599 4.639 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(OCC)cc1)C1CC1 1740908139 MGKZRMPZQNEDQC-UHFFFAOYSA-N 442.361 4.638 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS1 1740936549 YVTLLPXOCHBXBE-HXUWFJFHSA-N 439.541 4.577 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC=CCC2)C1 1740971978 BBEPMPMCIHSQHQ-SLFFLAALSA-N 426.536 4.695 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCO[C@H](C)C1 1742951270 HNJIEPSSSCYSJX-WSTZPKSXSA-N 441.551 4.502 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CCSC 1744872407 FCEGVJNAMJLIBQ-DENIHFKCSA-N 440.661 4.659 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCC2)C1 1747482221 DLPGIKZMEZIRHQ-LEWJYISDSA-N 439.629 4.744 30 10 IJEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccsc2)ccc1OC(C)C 1748513979 DCJBQHWOEDQWOV-INIZCTEOSA-N 425.558 4.589 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@H](F)C1 1748550754 ABGJCCKIOAHQOA-WMZOPIPTSA-N 431.943 4.875 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccsc1Br 1748674147 PZCJQMDYOMDMMR-CYBMUJFWSA-N 449.805 4.853 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1749029041 IXLWLFXUCSRCAC-RTBURBONSA-N 433.021 4.605 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)C1CCC(C)CC1 1749141071 WRMIVRYDQCJVQU-VPAQAXSESA-N 442.579 4.992 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1749207961 WHOOEWYBTRORJD-QGZVFWFLSA-N 432.500 4.675 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1)c1ccccc1 1749246155 HIWLCKWDSGTTLQ-GBXCKJPGSA-N 431.584 4.619 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ncccc2C)CC1 1749330417 BYFNPODYRVJNRA-UHFFFAOYSA-N 438.373 4.862 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749396735 GNPQUWJWUJANQM-LJQANCHMSA-N 434.588 4.524 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749397585 ZVZYIILEUCRLBQ-KRWDZBQOSA-N 446.521 4.856 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1749429231 JMZGDMLMKVWAAT-QTJGBDASSA-N 437.632 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCSC1(C)C 1760098711 WEESOTHEOWZJQH-IPMKNSEASA-N 442.629 4.806 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2CCCCC2)c1 1760127860 OQXQKOVVDUUCJT-UHFFFAOYSA-N 447.608 4.567 30 10 IJEE C=CCCCCn1c(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C3CC3)C2)nnc1C(C)(C)C 1760430547 MSNNPDIHXHIWOR-RBUKOAKNSA-N 431.625 4.671 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCSC2(CCOCC2)C1 1760443303 DYMBAGRZCQPZOS-UHFFFAOYSA-N 444.670 4.947 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1CCC 1760456865 YYEJZLGVVQKLRH-FGZHOGPDSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1ncc(CC)s1 1760482812 RNMJTJIJEHLCOO-UHFFFAOYSA-N 430.581 4.524 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)COC 1760491523 KDWRSYPXENFXBA-AWEZNQCLSA-N 439.785 4.822 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@H](c2ccccc2)C1 1760508107 IHNMWYQSAZDXKI-INIZCTEOSA-N 445.386 4.923 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(Cc1cccs1)C(C)C 1760532287 QZHBEIVAZPPVAK-UHFFFAOYSA-N 448.596 4.768 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)c2c(C)noc2C)C1 1760536489 BXXGGEVTSUANHS-JTSKRJEESA-N 435.572 4.697 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 1760568906 WUMMTJALSQHRQH-OTWHNJEPSA-N 449.665 4.752 30 10 IJEE COc1cc(Cl)ccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC#N)CC1 1768343761 CHVLXAOHZKWOTP-UHFFFAOYSA-N 425.920 4.687 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2F)n1CCC1CCOCC1 1771538076 DEHQWEZKDSAALO-UHFFFAOYSA-N 431.943 4.684 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1C(F)(F)F 1861043502 GRZWZLGMULWYDP-YLJYHZDGSA-N 442.522 4.538 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)/C=C/c1ccc(OC)cc1OC 1861561356 PPEHONVRZJCSBS-DKXPKDADSA-N 432.605 4.869 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 1862379434 BQPQPYIUDCHBNT-IBGZPJMESA-N 434.319 4.997 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862392825 HFDJMWSJGKSKFV-QFIPXVFZSA-N 435.520 4.962 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862414496 AYOWKYWDZRFPLN-AVRDEDQJSA-N 441.474 4.846 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1O 1862420866 SBZQIZVCJDESHH-NRFANRHFSA-N 443.446 4.590 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(OCCC)cc1 1862461758 MXFDRJTTWGMIOQ-FQEVSTJZSA-N 431.410 4.657 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(F)cc2)c1 1862556044 NZPMYECUEYSGKY-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3F)C2=O)cc1 1862938226 IEXBDGCKVLUJCR-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1863477010 JPCCIYGTBXDNEI-UHFFFAOYSA-N 433.920 4.708 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n(C(C)(C)C)n1 1870000065 FIEYMFATUJXHTE-UHFFFAOYSA-N 429.568 4.982 30 10 IJEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)COc1ccc(Cl)cc1Cl 1870146008 ZUXLXUJCTXOVJM-UHFFFAOYSA-N 430.295 4.587 30 10 IJEE C=CCOc1cn(CCCOCCCC)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870244453 PWJGXIRBPCSCQC-UHFFFAOYSA-N 441.597 4.930 30 10 IJEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CN1CCC[C@H](C)C1 1870593056 DFTLCIZKLIDHFZ-NRFANRHFSA-N 432.564 4.877 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(CC)cc1 1870841323 QWNSUOJVHXKYQE-UHFFFAOYSA-N 426.557 4.711 30 10 IJEE C#CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1871008781 NODIFGFLKGSOFY-UHFFFAOYSA-N 435.524 4.834 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871225512 BKTOCVPDOMXHON-UHFFFAOYSA-N 447.579 4.950 30 10 IJEE COc1ccc(CNC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 1871443751 FEXWIDWZVQNAOD-CFRMEGHHSA-N 443.499 4.623 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CC 1872114627 LJPUAEJXHZBPKN-MRXNPFEDSA-N 440.915 4.694 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872247276 OSGJUZOHXATOJV-UTKZUKDTSA-N 434.989 4.879 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(NC(C)=O)cc3)n2)c(C)c1C 1872778039 CAZIADORYRMZSJ-FQEVSTJZSA-N 433.533 4.813 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779875 TUZPZMRJXDARBR-HNNXBMFYSA-N 426.444 4.908 30 10 IJEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873170215 QZAKJKIHJLBHIF-HXUWFJFHSA-N 425.532 4.711 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2[C@H]2CCCO2)cc1OCc1ccccc1Cl 1873505037 XZRAARZYSVKHFB-BYWZACNXSA-N 444.944 4.542 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873661155 ZENBHKFGLMGQDC-UHFFFAOYSA-N 427.508 4.515 30 10 IJEE CCOc1cc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)ccc1O 1874242325 ZRKABDGTXXJFNT-ZVHZXABRSA-N 426.586 4.745 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(OC)c(O)c1 1874256186 XQUTWIBJNPONJA-ZMOGYAJESA-N 440.569 4.881 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(C(F)(F)F)cc1 1874295340 WJAMCKXDFFCIOL-FSJBWODESA-N 435.431 4.790 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(C(=O)O)cc1 1874327428 NKYUEVNYSGHSRC-WYMPLXKRSA-N 436.537 4.723 30 10 IJEE C(=N/n1c(CCOc2ccccc2)nnc1SCCc1ccccc1)\c1ccncc1 1874346498 RSGVBHVJYAJDQH-LGUFXXKBSA-N 429.549 4.512 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874441138 KBLGHHUWIKXKSG-WYMPLXKRSA-N 442.507 4.813 30 10 IJEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)cc1O 1874480780 KXNHHDLEKVETID-FOKLQQMPSA-N 434.924 4.999 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)cc1 1874494302 VGHMFWZAZQESPD-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(CC)cc1 1874496809 GARDZHQXJMETHE-LFVJCYFKSA-N 427.618 4.731 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C1CCC1 1874497573 PSGAXMWERZGKLG-OHHQFBAHSA-N 439.610 4.767 30 10 IJEE COCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874500529 SAWFWFUXKXBBIO-WYMPLXKRSA-N 444.532 4.534 30 10 IJEE Fc1cccc(Cl)c1/C=N/n1c(S)nnc1CCCOc1ccccc1Cl 1874568857 UXZCFUABWJUUPX-SSDVNMTOSA-N 425.316 4.907 30 10 IJEE CCCOC(=O)COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC 1874598869 JEFRKPXOTKLOOX-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(OCC)cc2)CSc2nnc(COC)n21 1874873037 DCMSHPHRIPCEMZ-FQEVSTJZSA-N 446.617 4.885 30 10 IJEE CN[C@H](CC#CCOC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875686127 JKVCRVQWPPCSDA-NAKRPHOHSA-N 445.559 4.506 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2N(Cc2ccccc2)CC(F)(F)F)OC1(C)C 1981447723 RPLQDARYVOXZOS-UHFFFAOYSA-N 426.675 4.603 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2038877892 WYCFLLFLPPXEQA-RZPFDVGOSA-N 446.632 4.574 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078854388 FXOULYPOFYSSFW-VRUMLPLGSA-N 446.632 4.524 30 10 IJEE Cc1cc(C)c([C@@H](C2CCC2)n2nc(C)c(/C=N/O)c2I)cc1C 2079108196 ISXDLLJVSMNACK-VMHWHBCQSA-N 437.325 4.919 30 10 IJEE Fc1ccc(Cn2nc(I)cc2C(F)(F)F)c(C(F)(F)F)c1 2079171606 AAVPATAXKLUBHF-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE CN(C)Cc1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079175322 IOJNZQMGEXCEMF-UHFFFAOYSA-N 434.153 4.873 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(C[C@@H](O)c1cccc(Br)c1)C2 2169735468 KDPMZDWWIRYXNP-OKZBNKHCSA-N 435.362 4.944 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)cc2Br)Cc2ccccc21 2174767409 JSSGUUFUOSVRAL-GOSISDBHSA-N 428.330 4.907 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2OC)NCC)C1 2197749277 QQIXYNIZCNXOEE-GOSISDBHSA-N 439.394 4.592 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Oc3cc(Br)cnc3C#N)C[C@H]21 2198816039 SJPBVQRLAMMKKJ-UKPHBRMFSA-N 436.350 4.663 30 10 IJEE C=CC[C@](C)(O)C(=O)c1sc(Br)c(Br)c1Br 2212190247 VGCXUTPAILYZGU-JTQLQIEISA-N 432.959 4.545 30 10 IJEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282112732 HMDUFVSMSLIVHS-NRFANRHFSA-N 449.400 4.504 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C1CC1 2296224292 INFAUTOHAAKEDL-RTBURBONSA-N 435.406 4.718 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2296278355 COIGNGXNJUWJQT-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 2296289041 NPPHTRVXFQGZHP-PWIZWCRZSA-N 435.406 4.957 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)C1CC1 2296289643 TYWZEZXCQJJOMI-QUCCMNQESA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2296294559 VTGZXJJEZOLLJD-AZUAARDMSA-N 437.422 4.966 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2306524090 BCCPYRDGOSRYIR-LOSJGSFVSA-N 428.573 4.699 30 10 IJEE SC[C@H](COCc1cc(I)ccc1Br)C1CCC1 2319161359 VQYLFHKSAZWFPH-LBPRGKRZSA-N 441.172 4.916 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1N=Cc1cccc2ccccc12 2321139507 HFEPSHATBXNVOY-UHFFFAOYSA-N 429.549 4.970 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)C=Cc3cccc(Cl)c3)nc12 2322549189 AAKHNUPQJDQWGM-UHFFFAOYSA-N 443.894 4.915 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3ccc(C(=O)OC)o3)c2)cc1 2323130996 PBTDSTIHEOUTAR-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1cccc(Cl)c1 2323160973 WCTDAWMVYFUOOF-VXKWHMMOSA-N 435.008 4.572 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)c1 2323190121 JPBYOMZQTMLCCD-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE Oc1cc(-c2ccccc2)nc(NN=Cc2c(O)ccc3cc(Br)ccc23)n1 2323259555 VTCBGSCJNLNESR-UHFFFAOYSA-N 435.281 4.917 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 2323718995 AQTPFVQXADMOFQ-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)c(Cl)c1OC 2323865282 DQDIPZXPRAMOQG-UHFFFAOYSA-N 430.917 4.885 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(Br)cc1 2325589662 HRIFOKAXIGTITO-UHFFFAOYSA-N 446.330 4.686 30 10 IJEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1c(F)cccc1Cl 2326863265 KJLWNHXIBIRZPA-UHFFFAOYSA-N 436.896 4.712 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(C(=O)OC)cc1 2329484389 FFWOHMKNDXNDIM-UHFFFAOYSA-N 434.565 4.709 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(Cl)c(OC(=O)c2cnc(C)cn2)c(OC)c1 2331049743 OPPJVYIRYYZBQW-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1O 2331066082 MZCABKFRMHNJQZ-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1)c1ccccc1 2331096991 QJDAPRQDEVJBMI-SFHVURJKSA-N 433.581 4.787 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccncc1 2331391937 WQKUAQLVQOCACM-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(F)cc1)c1ccccc1 2331543825 ZYRTZKATJYIKLE-MRXNPFEDSA-N 437.544 4.536 30 10 IJEE OCCSc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331544548 RNOGEEZXQHDYLK-UHFFFAOYSA-N 442.972 4.745 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339584592 CXGHLHJDDNNYDE-XYDKVEKUSA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339585833 VHCDQMFKBSFTRL-JKIKYLSZSA-N 444.381 4.798 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339589489 YDWZHBLNEVGAFA-QGZVFWFLSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)NC1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2339595343 AJJXWCNQILMJAV-UHFFFAOYSA-N 444.381 4.943 30 10 IJEE C=CCC1([C@@H](O)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2339699542 CCHMGIRNVMPUPQ-KRWDZBQOSA-N 426.351 4.613 30 10 IJEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2342469469 HZLYKCOMCQXDCX-KRWDZBQOSA-N 444.381 4.904 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1F 2342481761 JVSQJUUQZOCECB-HSZRJFAPSA-N 448.344 4.871 30 10 IJEE COC1(CSCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)CCCC1 2377315683 JUYHSVODFHDCFD-UHFFFAOYSA-N 441.240 4.941 30 10 IJEE COc1ccccc1/C=C/C=C1/Oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2C1=O 2104600 ODMILIWOBBXECQ-QIILOTDPSA-N 442.423 4.816 30 10 IJEE C=CCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C(F)(F)F 11217343 LHJAVBOPYADNNW-LJQANCHMSA-N 447.482 4.702 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(Br)o2)nc2c(C)cccc12 12240447 HGXYESNIUBYRDZ-UHFFFAOYSA-N 436.269 4.517 30 10 IJEE C=COCCSc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2Cl)n1 21083234 YFWVBSDPZOORHA-LPYMAVHISA-N 429.933 4.735 30 10 IJEE CCOc1cc(/C=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)ccc1O 39866552 MZNVFWMVNSSQJL-NOQVSKCTSA-N 444.582 4.888 30 10 IJEE Cc1nnc(/N=C2/S/C(=C\c3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)s1 39866561 HLSDQZUBBPXKHJ-NIPZQEADSA-N 429.527 4.691 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1 59016308 RLNBUZFIQSCJHF-UCXQJLNCSA-N 426.933 4.608 30 10 IJEE CC(C)(C)NC(=O)CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2s1 59517502 BMGWCGDXJLSKKI-UFFVCSGVSA-N 444.538 4.668 30 10 IJEE CC1(C)[C@H]2CC[C@@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1nc(C#N)c(C#N)nc12 101107503 NHNWSFHRWBDBIC-KMRXNPHXSA-N 447.542 4.604 30 10 IJEE CCCOc1ccc(/C=N\n2c(S)nnc2-c2ccccc2OCC)cc1OCC 169912119 JEJHBMJRAVYHDO-HAHDFKILSA-N 426.542 4.702 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 169975519 DMDDCWPYOHTVAN-XMMPIXPASA-N 435.564 4.918 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccccc2)ccc1F 170056395 PILSHMPGVJERFV-NRFANRHFSA-N 445.425 4.932 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2c[nH]c3ccccc23)c1 170076046 CHUKGOUUYUDJGV-HXOBKFHXSA-N 430.504 4.542 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OC)c1OC 170126977 BJANQGSWTCPDMZ-LJQANCHMSA-N 429.900 4.736 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(O)cc2)c1 170132171 OOIMMQZWUDMTFP-UPCLLVRISA-N 441.483 4.807 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)cc1 170144327 IDZZLPPNLFBHPZ-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1 170187456 TZYJMVMOSYHPEP-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)cc1 170198253 GFQMNDAEOMGRFO-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccncc1 170206206 VEVKLYOXBKHSCG-QFIPXVFZSA-N 428.488 4.798 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccccc3)ccc2O1 170223568 QENPAOTVAXMIDZ-CMJOXMDJSA-N 429.447 4.932 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170224713 BGLCDKSOAWWSRL-QHCPKHFHSA-N 427.456 4.500 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)cc1C 170256944 RDWSUCOWMOBHPX-OAQYLSRUSA-N 435.501 4.549 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1CCCOC(C)C 170278197 LQXDJWYOAJHEFD-DEOSSOPVSA-N 449.547 4.713 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1ccco1 170279317 ZUWRLSWRNBSDCG-JOCHJYFZSA-N 446.503 4.754 30 10 IJEE N#Cc1cccc(NC(=O)Nc2ccc(I)cc2Br)c1 312220280 BULPNILVSWOZOU-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE Cc1ccccc1CN(CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc2nc(O)[nH]c2c1 426448888 FBSMIFYTKMHMBQ-UHFFFAOYSA-N 445.548 4.772 30 10 IJEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCC[C@H]1c1ccc(COC)o1 460546016 JNYFJGVCMDSHDT-QHCPKHFHSA-N 447.583 4.888 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 481523380 SHRVPZCKHSVZFB-QHCPKHFHSA-N 444.556 4.771 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 508832329 JMWLJZRHEZGFCP-SDHOMARFSA-N 444.579 4.547 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN(c2ccccc2)C1=O 518314188 RTHQSVRLRZNHJA-QHCPKHFHSA-N 426.476 4.586 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2cn(CC)c3ccccc23)o1 526829795 AJLICAPFIAZYRK-FMCGGJTJSA-N 437.525 4.505 30 10 IJEE C[C@@H](NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 542089697 FVWAURBXBPZQGY-CLOONOSVSA-N 438.531 4.559 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnccn1 549274793 QDLJIBIJENLEBP-KRWDZBQOSA-N 426.952 4.691 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 558982754 CZNMUOINNYSJHB-IBGZPJMESA-N 427.936 4.575 30 10 IJEE C=CCN(CC=C)C(=O)N1CCC[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1 585962115 FLZWHCCECPXBBX-XMMPIXPASA-N 431.580 4.583 30 10 IJEE N#Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 586123767 DFDMZXOAAYXLOL-UHFFFAOYSA-N 441.350 4.712 30 10 IJEE C#CCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244522 YZOTVBGQDRMPKN-UHFFFAOYSA-N 428.337 4.619 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 609044535 IHIJJSXTGQRXIV-DEOSSOPVSA-N 442.519 4.922 30 10 IJEE C[C@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 610222999 DDVMUFLPIGAKKK-LBPRGKRZSA-N 435.578 4.502 30 10 IJEE CCOc1ccc(N=C2S[C@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2CC)cc1 725438582 FUJXHEDXXOUPBR-FQEVSTJZSA-N 425.554 4.682 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCc3cccc(F)c3[C@@H]2C)cc1OC 737965867 UVJLZLGFEJWEFO-KRWDZBQOSA-N 428.504 4.510 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccc(OCc4ccccc4)cc3)CCO2)c1 762311700 DWOAYNMCZPTBAX-QKDODKLFSA-N 438.527 4.841 30 10 IJEE C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1c(Br)cc(C)cc1Br 767692791 YYKYCAZQVVZSCO-NSHDSACASA-N 433.140 4.604 30 10 IJEE N#C[C@@H](C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)C(=O)N1CCCC1 780302583 QXNWEYCXKMIMSE-IBGZPJMESA-N 448.320 4.609 30 10 IJEE Cc1cc(Br)c(O)c(C=Nn2c(S)nnc2SCc2ccccc2)c1 781584807 ABOAOJWTGXFKRS-UHFFFAOYSA-N 435.372 4.518 30 10 IJEE CCc1cc[n+](/C(C(=S)NCCc2ccc(F)cc2)=C(/O)c2ccc(C#N)cc2)cc1 789425410 PFHSXKRWHOAWLE-UHFFFAOYSA-O 432.544 4.591 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccsc1 790738142 YHESKQNBLLOXLU-MRXNPFEDSA-N 435.933 4.524 30 10 IJEE C=CC[C@]1(C(=O)Oc2cccc(Oc3ncccn3)c2)CCCN1C(=O)OC(C)(C)C 791794735 NFCJREJLUIKSJM-HSZRJFAPSA-N 425.485 4.520 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802550597 CTWGCTYNRKLGNQ-UHFFFAOYSA-N 447.539 4.534 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 802566489 RVRDAKOZMGSCCV-UHFFFAOYSA-N 435.915 4.774 30 10 IJEE O=C(CNc1nnc(C(F)(F)F)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 821216833 VOTOISYNTQURSO-UHFFFAOYSA-N 438.275 4.645 30 10 IJEE C[C@@H]1Oc2ccc(/C(=N/OCCOc3cccc4ccccc34)C3CC3)cc2N(C)C1=O 821228126 DOZTXBOCYDGVPG-ZEUUFASASA-N 430.504 4.793 30 10 IJEE C=C(C)[C@H](O)CC[C@@]1(C)C=Cc2c(cc(OC)c(C(=O)/C=C/c3ccc(O)cc3)c2O)O1 1077991934 UXOHDTSKWKSNCQ-FGYHGZIESA-N 436.504 4.884 30 10 IJEE biogenic C#CCCCC(=O)Nc1sc2c(c1C(=O)c1cccc(OC)c1OC)CC[C@@H](C)C2 1124089803 IWFGGSIJZAJFIE-OAHLLOKOSA-N 425.550 4.863 30 10 IJEE C=CCN(C(=O)c1ccc(OC)nc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124413813 PMNPDBKJZKORKN-UHFFFAOYSA-N 430.873 4.608 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)c1 1125842637 SNQAOUHYWHZJSO-UHFFFAOYSA-N 447.420 4.509 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1130556953 IYBHYEBDEJNISO-XMMPIXPASA-N 430.545 4.926 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C 1130691760 FNDUDGJJPGRSJV-QHCPKHFHSA-N 438.487 4.957 30 10 IJEE C=C1CCC(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 1133543926 OVQZFWNJGRMNHG-UHFFFAOYSA-N 430.508 4.853 30 10 IJEE CCN(CC(=O)N1CCCC(C)(C)[C@H]1C#N)C(=O)OCC1c2ccccc2-c2ccccc21 1140096923 GQLDHXFABZMROY-XMMPIXPASA-N 445.563 4.798 30 10 IJEE C=CCC1(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)CCCCC1 1147645860 UNECSCSXACKBND-UHFFFAOYSA-N 439.560 4.962 30 10 IJEE N#Cc1cccc(CN2CCC(Nc3cc(C(F)(F)F)nc(-c4cccnc4)n3)CC2)c1 1163629369 BEXKEXABXQMDRJ-UHFFFAOYSA-N 438.457 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2ccc(C#N)c(Br)c2F)C1 1164131736 YJLIJLULVFLISF-LBPRGKRZSA-N 448.283 4.764 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)CCCCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164417674 BJQFBMXZFWMXMU-HZPDHXFCSA-N 447.670 4.946 30 10 IJEE CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)oc12 1184845052 GQOWYCVZPJTUFR-GFCCVEGCSA-N 438.427 4.761 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3)C(=O)OC 1187947768 FOFMFQRBBYGATN-YOEHRIQHSA-N 440.590 4.782 30 10 IJEE CCSc1ccc(Cl)cc1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1200231880 CIEXRZWBDFCRMF-KRWDZBQOSA-N 428.945 4.641 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1)c1ccc(F)c(F)c1 1216122428 RXDJWHWVQVXNPQ-IBGZPJMESA-N 430.434 4.777 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O 1265517403 ZKEACYSISAOTFU-IBGZPJMESA-N 432.442 4.504 30 10 IJEE C#C[C@H](NC(=O)c1csc(Cc2ccccc2F)n1)c1ccc(Br)cc1 1275473831 HUIBFMXSCJINPW-KRWDZBQOSA-N 429.314 4.740 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cscc1C 1286402055 XEXUQWDETQAJIA-UHFFFAOYSA-N 439.588 4.844 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCSC1 1286500961 IITCGFWFLJUPNU-AWEZNQCLSA-N 427.426 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CC[C@@H](OC)C(F)(F)F 1286571557 QQOOKICEYOVHMA-GOSISDBHSA-N 433.478 4.863 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC1(SC)CCOCC1 1286583983 UQOZBYWPITZHMW-UHFFFAOYSA-N 439.629 4.596 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1286611956 SGZABXXHFRZZMU-TUACAJSNSA-N 438.616 4.680 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1286664875 KKOCJHXRIHYFTQ-NZQKXSOJSA-N 426.605 4.937 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCSC2)C1 1286801618 DXKHIUIIUSJEJO-NQIIRXRSSA-N 426.630 4.777 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(Br)cc1I 1287602625 DGYBTODMCAUZEJ-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccccc1 1288973286 FLSFGLHZPRCXCJ-SANMLTNESA-N 428.488 4.867 30 10 IJEE Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC(C)(C)C2)n1 1290007224 DLLJBFPWHIXRFF-UHFFFAOYSA-N 444.583 4.547 30 10 IJEE Cc1cc(-c2nc(C)c(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)s2)ccc1F 1290399695 GGMDTLJVASNPPP-UHFFFAOYSA-N 448.567 4.786 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCOC1CCCC1 1300280345 BMVGGUMWXWOFRX-CQSZACIVSA-N 437.407 4.576 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCCOC(C)C 1300287185 VPVKQAYRXITMNE-OAHLLOKOSA-N 437.357 4.510 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC=C)C1CC1 1300348019 IGOAAKUFHOKDNI-UHFFFAOYSA-N 429.362 4.675 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(Cl)s1 1300653141 JNXIMACXIWWYPB-IBGZPJMESA-N 428.989 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)c1nc(C)cs1 1300807813 QRMVINIWFBYNPX-IQGLISFBSA-N 449.624 4.633 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc(C)o1 1300950947 SUEYLLMPTCXQLE-UHFFFAOYSA-N 429.565 4.507 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1300974212 GCBQJBCELXMKAN-FPOVZHCZSA-N 434.588 4.943 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)C[C@@H]1CCCO1 1300979913 IGDXZBIYPKDOPU-KRWDZBQOSA-N 439.387 4.850 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(SC)CCOCC2)CC1 1301112264 OTKWQMZRGIUKEC-UHFFFAOYSA-N 433.021 4.913 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCOC(F)(F)F)CC1 1301135572 ZPLPPCOUJCKBIP-UHFFFAOYSA-N 444.885 4.839 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1301187462 VWLZSRPUKIALOL-UHFFFAOYSA-N 439.604 4.636 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301231031 APRADZHUQGAWLF-IEBWSBKVSA-N 438.494 4.596 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cccs2)C1 1301537665 CTYJQUNMOXMWDK-PMACEKPBSA-N 438.597 4.926 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)N2CCC(C)CC2)C1 1301543512 ZQVQSMXHIYXRFB-KNQAVFIVSA-N 444.023 4.500 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)C(F)(F)F)C1 1301566214 NNKYAMPAHFMBMX-SFHVURJKSA-N 438.494 4.535 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)c1ccccc1 1304736907 JQSGSBVOLUKYQC-SSEXGKCCSA-N 440.546 4.935 30 10 IJEE C=CCn1c(SCc2cc(Cl)c(C)cc2Br)nnc1-c1cnccn1 1307313699 GNUKRXMPIOMGFM-UHFFFAOYSA-N 436.766 4.938 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1307494439 HOEBURSGHIXVTG-WOJBJXKFSA-N 428.577 4.649 30 10 IJEE O=C(CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)NCc1ccc(F)cc1C(F)(F)F 1307658637 CGZQFNJKUOYYEB-OAHLLOKOSA-N 448.382 4.969 30 10 IJEE C#CCN(C(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1)C1CSC1 1310156089 UDLRSAWQJBKLQF-UHFFFAOYSA-N 441.984 4.585 30 10 IJEE C=C(C)CN1CCC(NC(=O)N(C)C[C@@H](CC)Oc2ccc(Cl)c(Cl)c2)CC1 1311891424 LYVVTTNAZKRGRS-QGZVFWFLSA-N 428.404 4.833 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1311995265 VKZTWLZGHKBNSA-FCHUYYIVSA-N 431.502 4.766 30 10 IJEE C=CCN(C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C)c1nc(-c2ccccc2)cs1 1350012831 PKANJOQFJDFVNR-SFHVURJKSA-N 427.570 4.975 30 10 IJEE Cc1nn(-c2ccccn2)c(C)c1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 1350451022 FBPHDLWXBZHKGG-UHFFFAOYSA-N 437.503 4.516 30 10 IJEE C=CCN(C(=O)c1cccc(Br)c1I)c1ccccc1 1352312246 RAJYKKJBPSXAQK-UHFFFAOYSA-N 442.094 4.887 30 10 IJEE C#CCN(C(=O)COc1ccc(C(C)C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1353635454 SSZKKGMLMKISGN-OAQYLSRUSA-N 442.353 4.937 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 1355615039 AZQZHKSLOWWONS-DEOSSOPVSA-N 433.552 4.734 30 10 IJEE C=CCCC[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 1358121478 WUNGBWMVBGYWMC-DNQXCXABSA-N 426.988 4.970 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1358908944 PBIZVCIURJEORN-PMACEKPBSA-N 443.389 4.659 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCC=C(C)C 1358987353 CZEOPAGFXSKSPE-UHFFFAOYSA-N 441.373 4.535 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCOC1CCCCCC1 1359000652 BITJYTNQLRXIHB-IBGZPJMESA-N 428.552 4.756 30 10 IJEE C#CCSCCn1c(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)nnc1C(C)(C)C 1359061633 HUDXGBDZIUQWBI-LEWJYISDSA-N 426.630 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCCCCCSC 1359070675 RLJBDXXOXQHOIW-ZJSXRUAMSA-N 440.613 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CC1CCC(C(F)(F)F)CC1 1359071926 IOICRPZDNQBFKI-OBFZPWGMSA-N 431.506 4.625 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1359086222 OLDGOKSSSCPBGR-RTBURBONSA-N 433.369 4.861 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1359094272 YXOGPZZCHWDJSS-JTHBVZDNSA-N 431.584 4.981 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(Cc1ccco1)Cc1ccco1 1359118487 MKSLYDWZQGBBKM-UHFFFAOYSA-N 434.496 4.931 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCOC(F)F)CC1 1359160421 UPDXBLWLSJEZLG-OAHLLOKOSA-N 426.895 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1359184584 SYLZZUIIGIIYCG-HZPDHXFCSA-N 432.410 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359184795 AHJCSSYWKSHRNR-PGRDOPGGSA-N 442.604 4.816 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359198395 PVALACXTSZAQQW-FYYLOGMGSA-N 438.616 4.951 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1359205448 YGFSBCXEKOMBIF-UHFFFAOYSA-N 442.007 4.593 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@@H]1C 1359223864 YGDIZPCJTQZEAA-HOTGVXAUSA-N 449.393 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1nnc(C)s1 1359235142 OTGGJBKNUXKXQX-UHFFFAOYSA-N 440.573 4.838 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@H]21)C(C)C 1359266064 RSOMBQINDWXBSA-ICDZXHCJSA-N 444.627 4.894 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)c2ccccc2)C1 1359326240 VWYXCJOEWIZJJQ-CWKRKGSWSA-N 438.616 4.782 30 10 IJEE Cc1ccc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[C@@](F)(C#N)C2)s1 1361266667 COVLCSZXZIQWJB-FDDCHVKYSA-N 439.560 4.895 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cnn(-c2cc(F)c(OC)cc2F)c1CCC 1435176265 HYKYELYGSWDVRE-UHFFFAOYSA-N 441.478 4.606 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccccc1 1435195324 LTVMSDZMGSLZRC-LOSJGSFVSA-N 433.596 4.931 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H]2CC)ccc1Cl 1448089929 TYVWJPKDHVOGNT-UWJYYQICSA-N 447.000 4.982 30 10 IJEE C=CCN(C(=O)c1scc(Br)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1458996385 IAXGKPQCOMQKJZ-QGZVFWFLSA-N 436.371 4.622 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 1460780133 DTXMVZQNIQVODY-INIZCTEOSA-N 439.350 4.598 30 10 IJEE C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1c(C#N)nnn1Cc1ccccc1 1461442505 DRALDURWWVEDCN-AWEZNQCLSA-N 448.939 4.519 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)CC 1463631804 CLHIZSLRNSQDSW-ZHRRBRCNSA-N 426.944 4.951 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(OCC)c(OCC)c1)C(C)C 1463801428 VZMIRYQPUUXZEZ-SIKLNZKXSA-N 446.588 4.604 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@]2(C1)CC(F)(F)C2(F)F 1466816318 JNXOKFKOLWXISS-HNNXBMFYSA-N 437.231 4.912 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 1467341668 JZWADBKQYQHQET-QFIPXVFZSA-N 429.605 4.708 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1467701911 FEQYJEJBACHEKD-YADHBBJMSA-N 445.519 4.544 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1470764546 UHKFKDCARWVNEV-SFTDATJTSA-N 445.604 4.690 30 10 IJEE CC(C)Sc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 1474951808 BNDKSQVWTWDLSW-CYBMUJFWSA-N 439.400 4.861 30 10 IJEE C=C(Cl)CNC(=O)Nc1ccccc1Oc1cccc(I)c1 1477019364 JKTCHAUXNWATFD-UHFFFAOYSA-N 428.657 4.958 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1OCC 1507606653 SQEKDZQBPOXHER-KRWDZBQOSA-N 434.609 4.956 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[C@H]1CC 1507611892 SJYSJIBKKCELEH-WBVHZDCISA-N 431.378 4.612 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1507647506 CNKKAVLWFJBHHY-SKCUWOTOSA-N 445.655 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCc2cccnc21 1507666756 KVNWBFHNLJFMMA-HXUWFJFHSA-N 429.955 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@H]1OC 1507764521 QRTGRRGUWKTBJB-STXHMFSFSA-N 449.418 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1507818985 YRCZZMHOTGMGPS-QZTJIDSGSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1507837085 IIEAFMXVQPAWMK-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(CC)CC)CC1 1507911025 ATRIONVUQXTAKX-UHFFFAOYSA-N 439.604 4.587 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2c(F)cccc2OC)CC1 1507915723 XRYCKZQKKNQKJY-GOSISDBHSA-N 429.584 4.868 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1507919638 GOBXCVVNBAFGAP-AZUAARDMSA-N 430.618 4.979 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1507956366 KYEPIOPFLUCULN-OAQYLSRUSA-N 434.588 4.503 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](C)N(C)Cc1ccccc1 1507987340 YYJGUKPSWLRFSO-MDNUFGMLSA-N 439.648 4.730 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@](C)(O)c1ccsc1 1508007629 DUUNZMPSCXEOOP-QHCPKHFHSA-N 426.561 4.847 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1508019802 JHWMESFIMMIEIC-ZCYQVOJMSA-N 429.568 4.610 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C)CCC2)C1 1508115719 PIDNIOQFGNOCTL-SFHVURJKSA-N 431.378 4.679 30 10 IJEE C=CCC1(NC(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)CCCCC1 1521565786 ANUXAPFRKXDNDF-UHFFFAOYSA-N 434.540 4.506 30 10 IJEE C=CCCOCCCCC(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n12 1522561600 CQIGQYSEMBWBOU-UHFFFAOYSA-N 427.936 4.763 30 10 IJEE Cc1cccc(N2C[C@H](C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)CC2=O)c1C 1526174385 ADVLVQLJOQXSSR-QFBILLFUSA-N 443.469 4.616 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1 1534002823 KMYPXWMNGCXXDT-UHFFFAOYSA-N 447.969 4.522 30 10 IJEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC=C(C(C)(C)C)CC1 1539068194 PGQJHTLEYVCTAX-UHFFFAOYSA-N 430.556 4.580 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(-c3cccc(OCC)c3)n2)CCCN1C(=O)OC(C)(C)C 1539317609 USQLCEWYQGKHOJ-AREMUKBSSA-N 449.551 4.879 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1539527162 VNIPXTIQJVWEKY-UHFFFAOYSA-N 428.577 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N[C@H](C)c1ccccc1 1539667512 IWFQLHCNMBVDKB-IFMALSPDSA-N 425.621 4.704 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCN(C)C(C)C)CC1 1539854969 ZKILLUBKTNGAHW-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCC[C@H]2OC)CC1 1539882756 WLQMUJXTLLQWQJ-FXAWDEMLSA-N 430.980 4.825 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cc(C)no2)CC1 1539897823 KZQRHHLGZONLNY-UHFFFAOYSA-N 448.354 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1539909551 NJYHLGSFXVMXKC-HSZRJFAPSA-N 449.643 4.852 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OCCC)CC1 1539955026 MXYCZQNNYFQXKX-NRFANRHFSA-N 440.588 4.858 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCSC1 1540136331 GSLXNWWAXXQAQX-KRWDZBQOSA-N 443.617 4.719 30 10 IJEE CCN(CC(=O)Nc1cccc(C#N)c1)C(=O)OCC1c2ccccc2-c2ccccc21 1540364180 BLASYJWFMASKGH-UHFFFAOYSA-N 425.488 4.768 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1540530138 SUINILLJHCXDBL-HHHXNRCGSA-N 438.612 4.959 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC=CCC1 1541513379 QSNNYYGZWNUMMS-LJQANCHMSA-N 445.571 4.716 30 10 IJEE CCc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)s1 1546247568 BNMGEFFECGJLLJ-OYHNWAKOSA-N 443.523 4.671 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1)C1CCCCC1 1552754800 DKNGJQKADJIMIQ-QFIPXVFZSA-N 441.023 4.849 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cc1 1562235693 NVCBGFYBIHXUJU-LLVKDONJSA-N 426.826 4.552 30 10 IJEE C=CCN(C(=O)NCc1ccc(Br)cc1Oc1ccccc1)[C@H](C)COC 1564016983 SMFNWMZRSRIGML-MRXNPFEDSA-N 433.346 4.974 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 1565810513 LRCTZQXKRJKFKW-RDJZCZTQSA-N 434.968 4.830 30 10 IJEE C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1568490055 BYTJIWSBHOFYHE-KKSFZXQISA-N 449.904 4.946 30 10 IJEE N#C[C@@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)c1ccc(Cl)c(Cl)c1 1585302145 FJFAETHJOWHQHJ-CQSZACIVSA-N 443.212 4.606 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc(F)c(F)c1 1585434768 HTIJHPIUMKMMFP-BJKOFHAPSA-N 448.469 4.954 30 10 IJEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CC#N)cc1 1587316282 DDJGUUYXMSRDOH-KRWDZBQOSA-N 425.488 4.618 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1589506533 XNBUDNDLVCLKMS-JXFKEZNVSA-N 446.382 4.973 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(C(C)C)CC1 1589557126 GTNPJRZIGBQAGY-WIOPSUGQSA-N 438.616 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1589636636 BKMKTKZOCHNOIV-IFMALSPDSA-N 436.629 4.887 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1OCC[C@H]1C 1589687715 LRJMMGXZZYJUMR-DNVCBOLYSA-N 439.387 4.991 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1593757650 LAXAENCCOQEMPD-RXVVDRJESA-N 437.613 4.609 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN(C)C2CCCCC2)CC1 1594127612 AYRWFAPTWPVJJF-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1594679550 GVXMFCWWBVKWPQ-DYESRHJHSA-N 426.492 4.694 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N(C)c1ccccc1 1594907131 PELHNAQYCKYBMF-OAHLLOKOSA-N 446.418 4.916 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN1C1CC1 1595261575 RTUFHJNSHBDLSP-OAQYLSRUSA-N 425.621 4.712 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1csc(C)c1 1595282595 HWNAWWJQWJHNDT-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(F)(F)F)cc2)C1 1595688803 OTPKXSTWAVBENG-SFHVURJKSA-N 432.446 4.695 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1595854879 QBNXKOOYLALHLJ-OAQYLSRUSA-N 436.629 4.544 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CC1CC1 1597203824 FBURDWACBOCVEJ-GOTSBHOMSA-N 446.599 4.788 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)c1ccccc1 1598122278 OONCOPBBAKOMNA-BJKOFHAPSA-N 426.988 4.658 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCCC2)C1 1612740960 CZEUAMZENVIUCK-LGVFNWMJSA-N 434.632 4.954 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2c(F)cccc2Cl)nnc1-c1ccc(OC)cc1 1613215030 DOGCXNZHKDBUTN-GOSISDBHSA-N 447.919 4.939 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1614875609 NHIKYNXBVKHDJN-UHFFFAOYSA-N 430.304 4.816 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](c2ccccc2)C2CC2)n(Cc2ccc(F)cc2)c1C 1616628759 FVJRLEHNFUYQQJ-RUZDIDTESA-N 430.527 4.843 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1622251739 DEXVMUYBKUWKET-KRWDZBQOSA-N 448.388 4.952 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)nn1-c1cccc(Cl)c1 1626653424 TZOAZCQNBBFAHK-INIZCTEOSA-N 439.343 4.809 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1Cc2ccc(C)c(Br)c2C1 1630292102 DTADPSDUQMPQAN-UHFFFAOYSA-N 438.325 4.664 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(OCC)cc2s1 1631843760 ASIRRCKENMNVNI-AWEZNQCLSA-N 425.938 4.669 30 10 IJEE CCCc1c(NC(=O)Cc2cccc(Br)c2C)cnn1-c1cccc(C#N)c1 1633286783 BYJRFVJPQVYYSG-UHFFFAOYSA-N 437.341 4.949 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)c(F)c1 1634454080 SIGWRXHQOSUHBS-APWZRJJASA-N 449.295 4.514 30 10 IJEE C#C[C@@H](NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1 1636551629 FWBCOMYOLJMMEV-OAQYLSRUSA-N 449.904 4.951 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1OC)C[C@@H]1CCCO1)c1ccc(Cl)cc1F 1636566811 HKYUNEMLOQSCIH-GHTZIAJQSA-N 430.907 4.553 30 10 IJEE C#CC[C@H](NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)C(=O)OC 1638825837 CXZRTCWHEPDAPT-SFHVURJKSA-N 427.909 4.673 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)C1 1640071022 SYLQIRRVHCTXTP-ZDUSSCGKSA-N 425.369 4.997 30 10 IJEE C=CCn1c(Sc2nc(C)cc(C#N)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1642013003 WQDROTVJTCVYJD-UHFFFAOYSA-N 431.546 4.741 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F)c1ccc(Cl)cc1 1642103439 ZRUJKOSCMHIDRV-MOPGFXCFSA-N 434.870 4.675 30 10 IJEE N#Cc1c(F)cccc1C(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 1642280212 BZMWFSXTVGGTEU-UHFFFAOYSA-N 433.668 4.610 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)n(-c2ccccc2)c1C 1642494812 GSBAFEPQCYGVRL-MRXNPFEDSA-N 438.478 4.857 30 10 IJEE C=CCn1c(SCCOC2CCOCC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1643608173 CDAPUVVURATJLB-UHFFFAOYSA-N 442.606 4.907 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)[C@@H](C)C#N 1646525634 UIHQAXWMOKGHSN-UUOWRZLLSA-N 431.536 4.620 30 10 IJEE N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 1660953747 AFSISXVKBPXRAU-QFIPXVFZSA-N 428.916 4.754 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccc(Cl)cc1 1667767305 IADVJFKNCJJCSM-HSZRJFAPSA-N 431.923 4.809 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1)c1ccc(Br)cc1 1670926896 YDYHVVUJCAZDEM-HNNXBMFYSA-N 439.668 4.524 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](NC(=O)OCC)C1)c1ccc(C(F)(F)F)cc1 1680856443 ZRCKOWKQDIZSJF-MSOLQXFVSA-N 427.467 4.633 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1681285799 VGCDXRVTEKGMCM-GIWBLDEGSA-N 443.385 4.940 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CC)c1ncc(-c2ccccc2)[nH]1)c1ccc(Br)cc1 1683507460 DKUBNFBPHWXYIX-RBUKOAKNSA-N 437.341 4.964 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br 1684300118 MMCQMLLDVVFNTE-RXVVDRJESA-N 429.358 4.608 30 10 IJEE C#C[C@@H](NC(=O)N1CCC2(C=Cc3ccccc3O2)CC1)c1ccc(Br)cc1 1686921251 HAPPZFVFDYHUHF-HXUWFJFHSA-N 437.337 4.773 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](c2cnn(C)c2)C1 1689881417 PNYJLLAZEAQOSM-INIZCTEOSA-N 443.382 4.783 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1689882799 MPEOVEFDUIIFCK-DEOSSOPVSA-N 449.643 4.848 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1689914977 MAWWXBVICZUHRG-NRFANRHFSA-N 428.378 4.776 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1690156581 YZZYMELKFZYXFG-IEBWSBKVSA-N 428.602 4.517 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1690220896 DNZUBKCWCDMVFM-UHFFFAOYSA-N 443.267 4.561 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H](CC)C1 1690223069 CXSQUIKXWVLHSF-INIZCTEOSA-N 449.393 4.887 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1690304532 GDMQSUQNVNXKEB-VQTJNVASSA-N 445.007 4.834 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCCCC2)C1 1690306019 MEEQEZCDMUFYPV-UHFFFAOYSA-N 448.970 4.870 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2c(C)nn(C)c2C)CC1 1690364121 JYENOOFKIKIICY-SFHVURJKSA-N 440.979 4.627 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(COC(C)(C)C)c2)CC1 1690364474 RBBXMDNQALPSCX-HXUWFJFHSA-N 442.604 4.522 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1690472531 PGBHFJHIATZZOI-OALUTQOASA-N 428.577 4.787 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1690500320 RCYNOHBEPFIRQR-QFBILLFUSA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCO[C@@H]1CCCC[C@H]1C)C1CC1 1690547050 SNFOZVNSOIYBJN-VGOFRKELSA-N 430.543 4.897 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)C(C)C 1690581620 VNPZYWDFJGTAQW-SFTDATJTSA-N 447.693 4.550 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2=CCCCC2)C1 1690692487 ZHWBEMFGKWXJSW-IBGZPJMESA-N 428.964 4.889 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1690733842 ONKBQZLXAYJTID-QFBILLFUSA-N 427.618 4.691 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2c2ccsc2)nnc1[C@]1(OC(C)C)CCOC1 1690752538 LJJRJQPUMBFSEI-UGKGYDQZSA-N 448.658 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCO[C@H]1CCCC[C@H]1C 1705478028 VNKQAZVUZADEQB-JKBKZWBZSA-N 428.552 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1705503551 YHBXCJQWODJZPD-IRLDBZIGSA-N 449.624 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CC(F)(F)C1 1705591638 UMOFJMYCRHTEHT-MRXNPFEDSA-N 428.552 4.640 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1csc(CC)n1 1705620738 DZFZPTWUAVHOPZ-UHFFFAOYSA-N 437.588 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1csc([C@H](C)OC)n1 1705713216 XAVUTBUFPSORHQ-INIZCTEOSA-N 427.574 4.568 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CC[C@@H](C)N1CCCCC1 1705859168 KFUFSNQAHDGDAI-JOCHJYFZSA-N 430.600 4.797 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(F)F)C1 1705912485 LMUZAFHYWKOMNH-SFHVURJKSA-N 428.483 4.941 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC(F)F)c(F)c2)C1 1705925211 MMTLICINRZIDMD-KRWDZBQOSA-N 436.478 4.506 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C)(C#N)CC1 1705940503 HDZPEZKSYROABA-UHFFFAOYSA-N 432.597 4.851 30 10 IJEE CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1706354309 AEKUBKQUOZYTTI-JTHBVZDNSA-N 433.556 4.886 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2Br)C[C@@H]1C 1708175200 BIWGILGRVOSFDN-KBPBESRZSA-N 442.386 4.781 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722312727 IRSHNOPNWPLXNU-SANMLTNESA-N 433.600 4.882 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cc(C)on1 1722321125 WLECXWFWRGHKDO-UHFFFAOYSA-N 448.354 4.900 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1722454729 DDDVZSSYEKVQDU-WBVHZDCISA-N 447.446 4.865 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](CC)C1 1722464060 UDTXBKYFGKFQBS-SFHVURJKSA-N 432.684 4.577 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1722601903 MINRBDCSSSUPGL-OALUTQOASA-N 443.592 4.942 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1723761083 ADPOMGDUEVOOQZ-GCJKJVERSA-N 432.572 4.728 30 10 IJEE C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1)N1CCCCC1 1723793468 APDOAJMNHFKAKX-REWPJTCUSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1c(C)noc1C 1740540004 XEHANNBYMXPMCQ-UONOGXRCSA-N 442.361 4.574 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCN1CCC(C)CC1 1740603562 XAHNSPBIQZESFU-UHFFFAOYSA-N 439.673 4.857 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C(C)C)C1 1740813438 GVCNLJANEHBJAH-OAQYLSRUSA-N 432.996 4.903 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740844461 JJRQCUKIHCDMSE-NRFANRHFSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)cc1 1740848508 LDKFDUKROSGGTI-KRWDZBQOSA-N 433.394 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740852774 SMBFYABMYXJZAF-RBUKOAKNSA-N 429.584 4.517 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCCc2cccnc21 1740895385 YQTBJQHWJSGCJT-OAQYLSRUSA-N 447.583 4.880 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2CCC(OC)CC2)C1 1740977071 CLFNJUHUVAVJBX-SOAGJPPSSA-N 445.007 4.975 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@@H]1C 1740997348 YPANEMUGZJTLOR-JKSUJKDBSA-N 439.050 4.932 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1741003801 FUMIHYZEOIPQRP-FQEVSTJZSA-N 440.638 4.852 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCC(F)(F)C1 1741801497 CSQJOWFCWXBIOJ-MBOZVWFJSA-N 445.514 4.745 30 10 IJEE Cc1nc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)sc1C 1742045982 HOADPKUTAQELGJ-JOCHJYFZSA-N 441.004 4.774 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC(=C)c1ccccc1 1748650711 CNGCDFLSSOFUBI-OAHLLOKOSA-N 427.371 4.940 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1748717988 BDWKYXKWHAINLF-XMMPIXPASA-N 429.568 4.808 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(C)s1 1748867963 PFVUJJMRNKWOKQ-HXUWFJFHSA-N 448.592 4.698 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)CC1CCCC1 1749219773 RVFPLZAWGKDQDH-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN(CC)C(C)C)CC1 1749295963 CMSJMVZTXCPINY-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1749305253 QJGGOZKCIFMAKE-UHFFFAOYSA-N 427.474 4.796 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 1749418181 ZPJYNHJUCSYLOV-UHFFFAOYSA-N 440.954 4.728 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)c1nccs1 1749559927 CHCCBIOAJUFAKA-SFHVURJKSA-N 436.585 4.586 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](CCC)OC)C1 1749696907 YGHDTPKCVBZJKR-VQTJNVASSA-N 444.645 4.872 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)o1 1751472211 HGWHZVMCZIOYMR-HXUWFJFHSA-N 446.580 4.719 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H](OC)C(F)(F)F 1760104300 WDNHXTVXLQIZSD-GLJUWKHASA-N 440.535 4.557 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC(C)(F)F 1760213938 WVEYAVDSRMPGEE-UHFFFAOYSA-N 438.478 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1760317434 FZTMSHCTPKQXBB-JTHBVZDNSA-N 449.599 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCCSC 1760320176 SQQXOGQTJDGYCI-UGKGYDQZSA-N 437.613 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1760339076 YFBJKEIZHMOARJ-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@](C)(O)C(C)C)CC1 1760383612 VDKLISQSAGLMQP-AREMUKBSSA-N 433.600 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)c1ccccc1 1760407824 QCZZUEMIXIFBJN-LJQANCHMSA-N 432.572 4.768 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSc1ccccc1 1760698093 BXKGYHMEOLATEO-DFQSSKMNSA-N 427.618 4.585 30 10 IJEE COCCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@](F)(C#N)C1 1770966869 DLWCROGEVKSSLM-QMHKHESXSA-N 445.608 4.636 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OCC 1860729106 WWUCLOYNMQNQSX-YRNVUSSQSA-N 430.504 4.691 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862446038 JRKLRFNHWOJNMM-IBGZPJMESA-N 435.854 4.623 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862593467 IDOVNCOAZAHQGT-NYHFZMIOSA-N 444.443 4.640 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862596192 HAGCHUXAMIZBKS-XMMPIXPASA-N 443.499 4.878 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 1862675512 MXZFYUUCWOECND-FQEVSTJZSA-N 431.891 4.873 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863130548 NZLFBVYSPNPNRX-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE CCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863366070 OSGHMKAGPYDQFA-UHFFFAOYSA-N 437.499 4.739 30 10 IJEE N#Cc1c(NC(=O)c2c[nH]c3ccc(N4CCCCC4)cc3c2=O)sc2c1CCCC2 1866464263 JEWKQIVRGRQORM-UHFFFAOYSA-N 432.549 4.583 30 10 IJEE COc1cccc([C@@H](C)CC(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)c1 1867113588 QNZWDVAAHJATQK-BVZFJXPGSA-N 427.504 4.557 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCC3)CC2)nc(Cc2ccccc2)n1 1867945334 MELZZICKADZUOL-UHFFFAOYSA-N 431.628 4.701 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)n1 1868268127 AFVRWUKDJHBXQW-UHFFFAOYSA-N 443.551 4.969 30 10 IJEE CCCCCCCCCCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(O)cc1=O 1870120559 MERGQPONWWVEFQ-UHFFFAOYSA-N 439.600 4.657 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(Cl)cccc2Cl)cn1CCOC 1870602476 CHPSGXBUAVPSHC-UHFFFAOYSA-N 437.367 4.555 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)cc1CNc1ccccc1 1871177939 MUVBABODIZKNSG-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 1871370646 XBQMUCKWOIXTPL-UWVJOHFNSA-N 440.329 4.668 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c1 1871389305 OVOWRTZXCLQXFX-BKUYFWCQSA-N 429.428 4.541 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c(OC)c1 1871420139 WVIRIGZSNRCLMN-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4F)cc(C)c3C2=O)cc1 1871460143 XPWBJEXCAVRCEN-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872185126 VDINLUKAQQCKOK-DENIHFKCSA-N 438.634 4.837 30 10 IJEE C[C@H](c1ccccc1)N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872776229 LDNOMTHQLYRLBY-BPAFIMBUSA-N 433.508 4.735 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccccc2F)C1=O 1873031102 LXMGAIUQHHZUBW-UHFFFAOYSA-N 443.607 4.730 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2-c2ccco2)cc1OCc1cccc(Cl)c1 1873502874 XKVVOMVRSMBBAE-FSJBWODESA-N 440.912 4.950 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OC(F)(F)F)cc1)n2CC 1873656025 JAJIVORCEFZKSE-UHFFFAOYSA-N 445.445 4.781 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)Cc1ccc(F)cc1F 1873685221 CQORBLZFVUACRI-UHFFFAOYSA-N 444.503 4.583 30 10 IJEE C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1873870459 TXXDPNZXOKGEDM-VKEIQZIISA-N 444.531 4.868 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874225966 LYPUIGHZXXQSJF-HZHRSRAPSA-N 439.541 4.809 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)cc1 1874301839 TWAZUKBODSFQDV-JVWAILMASA-N 447.539 4.976 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCO)cc1 1874381747 HDRGGSJWUJMHLE-KOEQRZSOSA-N 442.560 4.544 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccnc2)cc1C 1874425780 AAIUBOTVMMXSMU-CVKSISIWSA-N 442.548 4.570 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(F)cc1F)Nc1ccccc1 1874425888 GCZZQSDFGUQKCB-VULFUBBASA-N 449.486 4.836 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1OCCC 1874441223 NLMKCJSYYNYCJJ-HZHRSRAPSA-N 432.590 4.583 30 10 IJEE CCCOc1cccc(/C=N/n2c(C)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 1874529651 UTXPUXRLHZYJCG-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)cc1 1874595038 QNAJSXCKXBAOPR-NTUHNPAUSA-N 435.451 4.757 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OCC 1874605406 OAGZKUCIDWBKGU-MDZDMXLPSA-N 432.900 4.975 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 1874719846 AOQYDAGHSZNFOU-UHFFFAOYSA-N 427.342 4.948 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875117195 CYQHOQAUOMIQAS-BJMVGYQFSA-N 442.424 4.749 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(O)CC1)n2CCCC 1875212938 ROIPJDCQKKIORL-UHFFFAOYSA-N 429.609 4.601 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)c(Br)c2F)CC1(C)C 1878905340 LMAABFDXRFEIMA-LBPRGKRZSA-N 426.330 4.907 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1922047202 PPYXQWQKZODAAX-AMBQILSMSA-N 434.624 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 1983858716 XXJGLISYQLTQIR-DRSNIGMVSA-N 433.574 4.777 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CCC1 1989840979 VVYSMPJOWAIRCB-IAIFEWERSA-N 444.575 4.858 30 10 IJEE CCC[C@]1(C)CSC(=Nc2ccc(Br)c(I)c2)N1 2029944643 KHPKXAUOEDTDCO-CYBMUJFWSA-N 439.160 4.936 30 10 IJEE Cn1cnc(Cl)c1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2054882231 XMFNGJQDDRCUOC-CYBMUJFWSA-N 425.714 4.842 30 10 IJEE CC[C@H](c1ccc(C)cc1O)n1nc(C2CCC2)c(/C=N/O)c1I 2079016907 UWSRKOIQMKNMEY-IXJMWADBSA-N 439.297 4.577 30 10 IJEE CC(C)Oc1ccc([C@@H](C)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080128808 WHAPRGULWGIGCE-CYBMUJFWSA-N 435.309 4.807 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1c(Cl)cc(F)cc1Br 2124445511 ACRLMRQKBPEYRY-ZDUSSCGKSA-N 448.720 4.767 30 10 IJEE FC(F)(F)C[C@@H]1CSC(=NCc2cc(Br)ccc2Br)N1 2144377691 FDUATXPSSYTMRF-SECBINFHSA-N 432.103 4.725 30 10 IJEE CC1(C)CC[C@H](Nc2ncc(Br)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2162313881 ZDLOMGYSYMCOEP-HOCLYGCPSA-N 437.382 4.847 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)c1 2232306297 LOFOGNZZHKRQBH-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](C#Cc2ccccc2Br)NC)C1 2235723091 BFAFLZJQZWRWHD-LSTHTHJFSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1C(C)C 2235731961 QRPXMDVQWBEIJF-KPLVRAHFSA-N 435.406 4.718 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]12C[C@@H]1CCCN2C(=O)OC(C)(C)C 2235745986 GRQQLIUIUHFDSE-LRXVAGHRSA-N 433.390 4.568 30 10 IJEE Cc1cnc(N(C)[C@H](C)c2cscc2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241092951 MHHFAWQOHWLEIO-CYBMUJFWSA-N 437.212 4.711 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2247928923 HWVLAKRBRJBDEQ-KRWDZBQOSA-N 425.403 4.797 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2scc(Br)c2Cl)CC1 2264612462 QIOGEZDCLMITID-UHFFFAOYSA-N 446.603 4.958 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1c(NC(=O)OC(C)(C)C)cccc1OC 2268160977 PZMYXJIKIRLCPN-UHFFFAOYSA-N 425.323 4.579 30 10 IJEE CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)C#Cc1cccc(Br)c1 2278738217 SPULEEATTOYUPA-UHFFFAOYSA-N 434.252 4.559 30 10 IJEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=NCCc1ccccc1 2295203918 XFXMNZFKJKCVGM-UHFFFAOYSA-N 425.579 4.600 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@H](N)C#Cc3cccc(Br)c3)cc2C1 2296215439 AELKVZBFLHDVDT-QGZVFWFLSA-N 447.398 4.855 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296298597 LUPXZQJEIVWPGB-JKSUJKDBSA-N 449.311 4.624 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CC(C)C1 2296309901 BVCTWSCHKCAKDG-UEUGHCDMSA-N 435.406 4.862 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2cc(OC)cc(OC)c2)C1=O 2297485895 JVEXQLUHIYGDFL-UHFFFAOYSA-N 425.506 4.556 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)c(Cl)c1 2299428129 XOINQGCCFLRSNM-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 2306530437 XDYOCJMXXMZRSA-CJFMBICVSA-N 428.573 4.603 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317348961 VAWSCJCTJGSRGP-SFHVURJKSA-N 430.354 4.505 30 10 IJEE CCCCc1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)c(C)c1 2321734025 HWUUQAHACQAXOT-UHFFFAOYSA-N 446.580 4.961 30 10 IJEE O=C1C(=Cc2ccccc2)Oc2c1ccc1c2CN(CCCc2nc3ccccc3[nH]2)CO1 2322192894 PAVFUCJMVJNFME-UHFFFAOYSA-N 437.499 4.964 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC(=O)OCC(C)C 2323259698 SNSDLHLXYJGNTD-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2ccc(C)cc2C)cc(Cl)c1OCC(C)C 2323421485 LXCFMHVWRVMENQ-UHFFFAOYSA-N 438.977 4.703 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(OC)c1 2325512972 CIIAMADTIMMKKI-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)cc1C 2325713657 AWGDJYCBGOCVEH-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3C2=O)cc1 2325721189 CVIMQCMONAMPCR-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2cccc(C)c2)c(Br)c1O 2326374830 FSESYFMQKWWXEW-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COCCOC)c(OCC)c2)cc1 2330842413 ICDWZBRHKJVCCT-UHFFFAOYSA-N 440.536 4.892 30 10 IJEE C=C(C)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc(Br)ccc1F 2330952131 JJJVSRQYFNEXQB-OAHLLOKOSA-N 425.327 4.582 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 2331030273 TVEFMHPHUSKDNV-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CCOc1c(C=Nn2c(COC)nnc2SCc2cccc(Cl)c2)cccc1OC 2331608478 CMBYVCHTWYRGPS-UHFFFAOYSA-N 446.960 4.660 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(SCC)nnc2C2CC2)cc1OC 2331739018 LVRYICKWXWTGIR-UHFFFAOYSA-N 439.379 4.710 30 10 IJEE C#CC[C@H](C)C[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366703332 BQOJQNIURBTJJG-GXSJLCMTSA-N 426.703 4.588 30 10 IJEE C=CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1OCC 2844299 VFUNUMYUZPDTGZ-SFQUDFHCSA-N 428.282 4.757 30 10 IJEE COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3onc(C)c32)c1 28052622 DAKXMZMCUOTINR-OSPHWJPCSA-N 446.503 4.967 30 10 IJEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)sc1C 103090308 CDBFIMIAGKUWQK-LYHOESIGSA-N 440.908 4.745 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1C 169905253 AHBVBMKYMZTWCX-ZVHZXABRSA-N 428.941 4.848 30 10 IJEE COc1cccc(/C=N\n2c(S)nnc2Cc2ccccc2)c1OCc1cccc(C)c1 169911797 GIEUXXBGUULBGX-QQXSKIMKSA-N 444.560 4.936 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccn1 169996847 LYYXYFHZCKJLNQ-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2cccnc2)c1 170005564 JBWXNFAOUJDGGL-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 170064936 PWFDNKLMAUTRMR-JOCHJYFZSA-N 437.467 4.965 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 170068636 RXIMRMKTRUHGNR-VWLOTQADSA-N 434.580 4.659 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170096261 OSMGAWOWZQANIS-QHCPKHFHSA-N 442.471 4.591 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccncc1 170206204 VEVKLYOXBKHSCG-JOCHJYFZSA-N 428.488 4.798 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1sccc1C 170314750 FBISUJREVIZELZ-IBGZPJMESA-N 439.464 4.693 30 10 IJEE COc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(C)cc2)cc(OC)c1OC 170436714 GHPDDHHUESSZHU-HXUWFJFHSA-N 439.508 4.536 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1 170464568 VYQQRUPBYNTUKV-QHCPKHFHSA-N 439.508 4.705 30 10 IJEE CCOc1ccccc1N=C1SC[C@H](C)N1C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 254346643 PISBXOSRQKEKKG-KJYPIDOJSA-N 428.598 4.758 30 10 IJEE C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cc(OCC)c1O 254398654 AEGVHIMLSMGTFD-CHLWQFSPSA-N 438.549 4.770 30 10 IJEE C=CCN(C[C@H](Cc1ccc(F)cc1Br)NCCC)C(=O)OC(C)(C)C 406573733 NHXDLNWCGXHHTJ-KRWDZBQOSA-N 429.374 4.922 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCOCC2)c2ccccc21 460383434 WCBPEQZVGDJDCI-UHFFFAOYSA-N 431.496 4.629 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 504356790 CJVNYXIRZPNMGJ-UHFFFAOYSA-N 428.536 4.921 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)c(OC)c2)c1 526517501 TVDYMDXNKASJNX-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(SCc3ccco3)C2=O)cc1 526666610 LUINXDPNOHLZLY-UHFFFAOYSA-N 429.501 4.844 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(SCc3ccco3)C2=O)cc1 526666761 TZHUEDLRHXTEBR-UHFFFAOYSA-N 429.501 4.844 30 10 IJEE CCCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(OC)c(O)c(OC)c1 526819491 WZOCSDJEVNLGPW-CFRMEGHHSA-N 440.569 4.745 30 10 IJEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)cc(Cl)c1O 526822050 DDPVNSUAPOGLEE-MSXFZWOLSA-N 441.944 4.644 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1 610304037 FTDHGGKJOMOGIC-DEOSSOPVSA-N 436.515 4.585 30 10 IJEE N#Cc1cc(Br)cnc1Nc1cc(Cl)ccc1I 690212897 MHPLCPYTJFDRKJ-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE O=C1/C(=C/c2cnn3ccccc23)CN(Cc2ccccc2)C/C1=C\c1cnn2ccccc12 729641429 HUAVECZFDHBKCS-KOJZRSEWSA-N 445.526 4.534 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1CC 742213433 INIBLSUVPNZCRM-NRFANRHFSA-N 437.540 4.762 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=NOCc3ccc(F)cc3)cc2OC)cc1OC 758143167 MDFPEWPRVGGROK-UHFFFAOYSA-N 439.439 4.621 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1=S 765033563 KQRBPMGOFORSJD-LAUBAEHRSA-N 439.560 4.611 30 10 IJEE C=CCn1c(SCC(=O)c2ccc3c(c2)CCN3C(=O)CC)nnc1-c1ccccc1C 768411650 LIJBHNXVSXKNMG-UHFFFAOYSA-N 446.576 4.714 30 10 IJEE C=C(C)CN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 777464476 WGWDYJYEQADBKF-OAQYLSRUSA-N 432.549 4.712 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C 782251046 HFLCGWVRNCKCBW-UHFFFAOYSA-N 432.502 4.535 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 803525236 KKBMKVMHXSYDSQ-NQIIRXRSSA-N 428.492 4.527 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc2c(c1)CCCC2)[n+]1cccc(CO)c1 917612521 WMBCFEGURMLVFW-UHFFFAOYSA-O 442.564 4.540 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc2c(N(C)C)cccc2s1 1124533800 FMHPGXXESRKTKD-UHFFFAOYSA-N 425.506 4.710 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)N(C)[C@@H]1CCCc2ccccc21 1125227375 STMRZODEPRXWFA-HXUWFJFHSA-N 447.453 4.963 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CCCN1C(=O)OC(C)(C)C 1126105364 ZGSFJGGZSIBKEU-XDHUDOTRSA-N 432.561 4.535 30 10 IJEE C#CCN(C(=O)COc1ccccc1C(C)C)[C@H]1CCOc2ccc(Br)cc21 1126151634 RRZPNQGRHNGXPT-FQEVSTJZSA-N 442.353 4.937 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3F)C2=O)cc1 1127911288 BOQDHLKKJPJYDN-QHCPKHFHSA-N 447.897 4.943 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(F)c(F)cc2I)cc1 1128035046 KCEVRGOWKSOSTQ-UHFFFAOYSA-N 444.240 4.652 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1 1129722302 KUDCSFCXFXMXTK-HNNXBMFYSA-N 427.523 4.969 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1 1136097681 QQAIGSGKULJBPD-KRWDZBQOSA-N 432.565 4.510 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 1136431858 UMIDPJRJWQQBJW-KNQAVFIVSA-N 441.616 4.678 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1137018499 UVMPBIIUPVENBS-OFVILXPXSA-N 431.536 4.643 30 10 IJEE CCNC(=O)Nc1c(C)cccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 1141875018 ASTWXXJKOORXOK-UHFFFAOYSA-N 428.492 4.839 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2c[nH]c3c(CC)cccc23)CCCN1C(=O)OC(C)(C)C 1146668880 DZJJYHSJBJHTOV-VWLOTQADSA-N 425.573 4.735 30 10 IJEE N#Cc1ccsc1NC(=O)CN1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 1170938321 GDXPZXJEEWVGCL-HSZRJFAPSA-N 436.625 4.715 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCO[C@H](c3ccc(C#N)cc3)C2)cs1 1176587646 NFUUHILHOFMIII-QHCPKHFHSA-N 432.549 4.581 30 10 IJEE C#Cc1cccc(N(CC(=O)N(C)CCCOc2ccc(F)cc2)Cc2ccccc2)c1 1192139600 GYMFTFRJKWUGBL-UHFFFAOYSA-N 430.523 4.741 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)c1 1209519468 OYQNIQJSNDNRGM-UHFFFAOYSA-N 440.609 4.516 30 10 IJEE C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1ccc(C#N)cc1Cl 1211083212 CNDGDFGMLGTKSW-OSPHWJPCSA-N 436.964 4.979 30 10 IJEE COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(Br)c(C#N)n1 1219696551 FOGLTZQFXZBVSM-GUYCJALGSA-N 429.318 4.729 30 10 IJEE C=CCC[C@H](CO)NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1220217965 PCERKVTZYHBHOG-QGZVFWFLSA-N 425.367 4.857 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1221975461 FJWQKWLUKLJPKU-FQEVSTJZSA-N 435.465 4.817 30 10 IJEE COc1cc(Cl)c(Cl)cc1NC(=O)COc1ccc(C#N)c(Br)c1 1269214345 GWMYLFOCGSRBCJ-UHFFFAOYSA-N 430.085 4.654 30 10 IJEE C=CCC1(CNC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CCCC1 1272416829 JOARDEYWWYEROW-UHFFFAOYSA-N 440.609 4.833 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@H]1C(C)C 1286277506 ZFKASEJKZYNRPD-YYWHXJBOSA-N 449.624 4.896 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOCC 1286548783 BTAOSUMOWLFDFB-SIKLNZKXSA-N 444.645 4.729 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(Br)cc2)nnc1C(C)(C)C 1286566536 NGKLAZXVQJEBCC-PKOBYXMFSA-N 447.421 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCCCCC1 1286568830 YOUBGRZUUUPMGY-CVDCTZTESA-N 428.552 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCSC(F)(F)F 1286569962 IHGJVTVOXZOUMP-UHFFFAOYSA-N 436.507 4.991 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2ccco2)C1 1286620197 HCIMDCAVQRTVMV-RXVVDRJESA-N 442.947 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@H](C)C1 1286670085 CPZJOWSFLFCEHZ-OALUTQOASA-N 448.615 4.809 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286691093 UJUSWLCPJCVXGR-NRFANRHFSA-N 434.588 4.639 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@]2(OCC)CCOC2)n1CC1CCCCC1 1286742746 OTMFUOPONXYMEW-SANMLTNESA-N 449.599 4.575 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(O)cc1 1286765765 JFRZODXUNYSWLJ-QGZVFWFLSA-N 438.597 4.524 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(SC)CC2)C1 1286803116 XZWRXQGFJMDSQD-FQEVSTJZSA-N 426.630 4.920 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1286827423 NMQKYHSXVIMCEE-KRWDZBQOSA-N 448.017 4.552 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCOCC(F)F 1300283582 VHGCHSVPHHRHNS-AWEZNQCLSA-N 434.487 4.552 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1noc2c1CCCC2 1300325077 SCIXUVWVFKNDSN-HNNXBMFYSA-N 441.988 4.597 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1300391897 IDROCKMJHDMCTE-GOSISDBHSA-N 434.918 4.892 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(CC)CC(C)C 1300742377 HDWUPFVPDMAPPW-UHFFFAOYSA-N 427.437 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)NCc1ccco1 1300907337 ZDWMZRKTPCZSAB-UHFFFAOYSA-N 448.354 4.564 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(OC)ccc1Br 1300948806 AUPJEVKMDQOOSP-GOSISDBHSA-N 435.366 4.503 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2sccc2Br)CC1 1301075962 VRKRWUQAISTWOA-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1301145707 FAVCNLLNQOTXGL-UHFFFAOYSA-N 435.572 4.904 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1301147112 AXBALGLLRSASOH-MOPGFXCFSA-N 447.624 4.616 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCN(C3CCCCC3)CC2)nnc1C(C)(C)C 1301535014 HAGVSNFJDKJAJM-UHFFFAOYSA-N 437.632 4.643 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCC2(F)F)C1 1301557585 VICZKHUXSPCQFX-MOPGFXCFSA-N 434.506 4.615 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC(F)(F)C2)C1 1301566147 KSTXJDOMTHHNFL-LEWJYISDSA-N 430.543 4.670 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(c3ccc(F)cn3)CC2)s1 1301616153 ATKJRMNCGLSRBW-UHFFFAOYSA-N 425.982 4.779 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)C(=O)OC 1303687786 SCVBGHIZRBPULX-OAQYLSRUSA-N 434.540 4.615 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1)OC 1305689858 CDBBYEFVGUEDBA-UHFFFAOYSA-N 435.494 4.801 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Cl)cc1Br 1307414088 HTWDTBPSVGUPDP-SFHVURJKSA-N 437.765 4.626 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(Br)cc2OC)cc1OC 1308378176 IKYVDZDJFWEBOQ-UHFFFAOYSA-N 426.738 4.974 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1 1311617439 PAJVGGKTLRRLMY-PXAZEXFGSA-N 449.732 4.608 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1312840438 IKOWNAMNQJBITL-DFQSSKMNSA-N 431.552 4.559 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nnc([C@H](C)Oc4ccc5ccccc5c4)o3)cc2C1=O 1346613816 KHRBTBXLLCQQKN-HNNXBMFYSA-N 425.444 4.812 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 1351719730 AYQQOBDAPOFCKJ-UHFFFAOYSA-N 440.341 4.770 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 1355411873 HVYUHCSRGPKYLB-LJQANCHMSA-N 446.522 4.992 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C\c1csc(C(F)(F)F)c1 1356182686 OMFAPWVVKZQIMR-SREVYHEPSA-N 426.412 4.909 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(I)cc1Cl 1357176932 WCWXTJYFZJEOIY-UHFFFAOYSA-N 429.660 4.912 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](CCC)OC 1359066427 AKUKZMSLFULRHB-ROMRWMGNSA-N 426.630 4.939 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCCCO 1359079653 RAIWRZLSZDGOBR-UHFFFAOYSA-N 448.192 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OCC)cc1 1359098669 DLIAVRCXEYIEQJ-PUHATCMVSA-N 440.588 4.536 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccoc1 1359102384 AUNPRAVHYSWXDB-URXFXBBRSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1OC 1359108348 KMUVZWNFKCYBKD-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCCN2CCCC[C@@H]2C)CC1 1359168084 HOZBWHDOEMQJDJ-QHCPKHFHSA-N 437.632 4.977 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1359180646 NALCTCXPFUUVDR-FQEVSTJZSA-N 427.643 4.697 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1359204748 ZSLNUKWVZJHXKG-IBGZPJMESA-N 445.539 4.538 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOCC2(CC2)C1 1359218663 QXPXBLKLPWPWLV-UHFFFAOYSA-N 445.007 4.835 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359223801 WLQPHZSPNWJGMV-OFNKIYASSA-N 437.632 4.508 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCSC1 1359254208 IQHRUZZCVQZTOL-NRFANRHFSA-N 449.624 4.993 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1ccc(OC)nc1 1359254837 FNYJTFFNBWVZMR-UHFFFAOYSA-N 435.572 4.520 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1359259323 RSQSVRMVTXVXOF-IBGZPJMESA-N 439.604 4.679 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1CCOC1 1359259433 WJBGHCVGEUESRF-DNVJHFABSA-N 438.616 4.816 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1Cc1sccc1Br 1359278211 MGIIGYZLQFCOAA-UHFFFAOYSA-N 447.402 4.931 30 10 IJEE C=CCn1cc(C(=O)Nc2ccc(Oc3ccccc3Br)c(Cl)c2)nn1 1360237113 WLKUFGOFFMRFNL-UHFFFAOYSA-N 433.693 4.925 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)C(F)(F)F)cc1 1436239594 QIFDRZRHIRKXFK-CTNGQTDRSA-N 439.437 4.644 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 1437442160 NNBIFRNXNIQIEC-UHFFFAOYSA-N 446.547 4.580 30 10 IJEE C=CCc1cc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)cc(OC)c1OC 1437547846 UEKXEXWXMHPQPN-DEOSSOPVSA-N 429.944 4.607 30 10 IJEE C#CC1CCN(C(=O)[C@@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1452174040 FNEKUWBKWCRQNT-AREMUKBSSA-N 442.559 4.732 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 1455476475 KZSBOPPWUPRITO-UHFFFAOYSA-N 440.551 4.659 30 10 IJEE C=CCn1c(SC[C@H](COC)c2ccc(Br)cc2)nnc1-c1ccccn1 1458982627 AFOXMUYAHSHWHY-INIZCTEOSA-N 445.386 4.811 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 1463861346 HREQOOSLBOISNC-HXUWFJFHSA-N 429.948 4.820 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 1472729023 HBPIOXHLUPWUGR-QZTJIDSGSA-N 437.588 4.614 30 10 IJEE CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)c(Cl)c1 1474837743 CNVWTIIEDKXQHT-LBPRGKRZSA-N 427.751 4.746 30 10 IJEE C=C(C)CS(=O)(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1474929381 WLYOFEXWZKRAGI-UHFFFAOYSA-N 439.408 4.606 30 10 IJEE CCC[C@H]1CCc2nc(NC(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)sc2C1 1476490329 DVNQZUNXYLOIQW-ZLPCBKJTSA-N 439.585 4.826 30 10 IJEE CCCOc1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(OC(F)F)c1 1478133037 GBASPQFLERBYSB-UHFFFAOYSA-N 441.478 4.947 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21)c1ccc(Br)cc1 1478895734 FVNILTJTZADHSB-GXRSIYKFSA-N 439.353 4.828 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1507532836 NGTYXHCYCRPGLV-RBUKOAKNSA-N 431.625 4.677 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCSC1 1507693787 GQSFVXFWXIHNNK-LJQANCHMSA-N 426.630 4.757 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C)c(C)s1 1507695114 UAIFGJHGOFXYJO-UHFFFAOYSA-N 437.613 4.736 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](CC)C1 1507777761 AYDIXXRITGDURT-MRXNPFEDSA-N 426.362 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=CCC1 1507806155 OPXMPFGYWFPVMV-MZKRTTBSSA-N 438.572 4.564 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccncc1Cl 1507823311 GKASSTDSRLXWLC-UHFFFAOYSA-N 425.964 4.973 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1507837955 YAQTVWQUWSPMID-MSOLQXFVSA-N 448.995 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1507918778 JGRFCKPZFUPTCO-UHFFFAOYSA-N 442.604 4.603 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1507923715 BOJJMXCWSYYMIT-NRFANRHFSA-N 430.556 4.885 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1507923862 DUVFURUBEUBUCC-OAQYLSRUSA-N 439.604 4.782 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1507926700 VVRJHCFRNOIBDV-GOSISDBHSA-N 445.970 4.685 30 10 IJEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1507966824 XLIVGBZLWNUZQE-AZUAARDMSA-N 445.633 4.686 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(N(C)C)CCCCC1)C1CC1 1507987559 GHEPLYAUOSDRGF-IBGZPJMESA-N 441.595 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CC=CCC1 1508010487 VXWPCRIUOXTBEE-UHFFFAOYSA-N 442.611 4.793 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCCC1 1508032371 FGQDHZQUWOYOOU-QFIPXVFZSA-N 441.620 4.612 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1510288755 HXFZWHQNMFZWJY-MHECFPHRSA-N 425.552 4.953 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCS2)c1 1510704462 GERPEJSWQNKAGG-OALUTQOASA-N 427.618 4.923 30 10 IJEE CS[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1519835702 ANQHFRHVJVWTAC-HXUWFJFHSA-N 441.601 4.582 30 10 IJEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)CC1 1521120846 BLLPHADPFJMLGE-UHFFFAOYSA-N 433.478 4.562 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC)c1ccccc1 1522819842 ZFXRGXVXPIYXQH-HXUWFJFHSA-N 444.597 4.851 30 10 IJEE C=CCN(C(=O)c1cn(C)nc1-c1ccc(C)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524295296 FOUJOWVGMLTXTF-UHFFFAOYSA-N 449.492 4.853 30 10 IJEE CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1526132703 IFERZNNVLKIPHN-QGZVFWFLSA-N 430.335 4.655 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1OC(F)(F)F 1526174390 AFBNXLTZBDLIEH-JTQLQIEISA-N 429.192 4.625 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)nn(-c2ccccc2)c1Cl)c1ccc(Br)cc1 1528082361 XCSQDAXURZVILW-QGZVFWFLSA-N 428.717 4.701 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 1528291360 SYTWYRGLWQSEEP-NRFANRHFSA-N 434.609 4.828 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc1OC 1528911869 LXLFYWLJHOOSSB-SWDTZWKESA-N 434.580 4.642 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1537361823 FLJGKMGRINEABP-KSFYIVLOSA-N 438.490 4.546 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCCC1(F)F 1539035183 MXVARIOLQKMJCS-SJORKVTESA-N 434.556 4.862 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)c1 1539040543 WENOLHZPCODBMY-HKUYNNGSSA-N 445.489 4.505 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccs1 1539049225 IRDXOJBZRVBFAF-UHFFFAOYSA-N 432.391 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCC[C@@H]1CC 1539338177 PQFPYMKWESRTPI-LEWJYISDSA-N 436.625 4.868 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)C2(CCC2)C1 1539496196 DSUCDODPFAICHI-RBUKOAKNSA-N 442.604 4.940 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@H](CC)C1 1539579631 ARZDQWWYEJLGPD-OAHLLOKOSA-N 427.799 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)CC 1539617070 UJWLTURCYKZARR-XJABCFGWSA-N 439.604 4.611 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(F)(F)Br)CC1 1539835279 CBSMXKZCVSSLMZ-UHFFFAOYSA-N 435.675 4.882 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(CC)CCC2)CC1 1539875757 VPRMGPRIYVTOCB-UHFFFAOYSA-N 440.588 4.954 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCC(C)CC2)CC1 1539882195 HCCYNNQROXUIJW-UHFFFAOYSA-N 429.012 4.518 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(CC)(CC)OC)CC1 1539884287 IDOFSGWMLJJEFN-UHFFFAOYSA-N 434.588 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCSC(CC)(CC)C2)nnc1[C@]1(OCC)CCOC1 1539930930 FJYOJEZVGNLOKY-QHCPKHFHSA-N 436.666 4.645 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1539938833 CHWWHONHHUAZLR-VJBWXMMDSA-N 438.616 4.783 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCOC[C@H]1C 1540056561 LURCZTBLIHYSJJ-ZIAGYGMSSA-N 439.785 4.656 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1543122280 QXKRBBWPHKSAHJ-FNZWTVRRSA-N 435.568 4.667 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1545329930 BZIMTWCAMROGGL-OAHLLOKOSA-N 428.462 4.762 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(OCC(F)(F)F)c3C)n[nH]2)c1C 1547459278 LZYLCGLDTRAZFW-UHFFFAOYSA-N 433.434 4.578 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1F 1564999627 IVEBPXFFAPGUEY-SPLOXXLWSA-N 435.877 4.520 30 10 IJEE C#C[C@H](NC(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1)c1ccc(Br)cc1 1564999659 NFNWFVQDGWNBSY-AMOSPBCESA-N 431.374 4.503 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 1565797060 QYHUNBVBKLEQED-QGZVFWFLSA-N 432.908 4.552 30 10 IJEE C=CC1(CC(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1568604284 DSPHFDSYGJVALB-UHFFFAOYSA-N 442.478 4.750 30 10 IJEE C#CCN1CCC(C(=O)N(C)Cc2ccc(Oc3ccc(F)c(C)c3)cc2Cl)CC1 1583624796 BYEZFMUVQGLODL-UHFFFAOYSA-N 428.935 4.883 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCc1cn2cccc(C)c2n1)c1ccc(Cl)cc1 1584688728 BJVHMTCKLLQTIH-JOCHJYFZSA-N 429.907 4.979 30 10 IJEE C#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 1586090282 SWHICNIAHTWNAF-UHFFFAOYSA-N 433.305 4.864 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC 1586526170 ZGRSCKRTYHBSHB-OALUTQOASA-N 436.980 4.859 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCOCCC(C)C 1588198296 OCTLKXGAJYHMRU-UHFFFAOYSA-N 433.383 4.778 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(OC)cc1 1588283924 HMRWRSULZXGSHI-UHFFFAOYSA-N 434.609 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCS1 1589608065 BEHRUHHTZNQGJP-MRXNPFEDSA-N 438.439 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC[C@@H]1C 1589614759 FRAUASOWSRQDSJ-WMZOPIPTSA-N 433.394 4.783 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1589658171 UXORJLGGNAPLJJ-OAHLLOKOSA-N 449.386 4.577 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@@H](C)C1 1593878294 GZUSSIIMLUFRCJ-JFIYKMOQSA-N 438.016 4.627 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1594573773 YBIFQUBEQFCVLA-PXNSSMCTSA-N 445.995 4.533 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1594923120 ICWKCOPEHDBTKW-UGKGYDQZSA-N 442.604 4.816 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1595895202 ILXUPPPQYNLVJO-UHFFFAOYSA-N 442.677 4.660 30 10 IJEE CCc1nnc(NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c(C#N)c1CC 1611869694 HDJMMVVSYXFJRY-UHFFFAOYSA-N 428.462 4.907 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC(F)(F)F 1611896802 GSUSJPDMLFFIOY-KGLIPLIRSA-N 429.874 4.989 30 10 IJEE N#Cc1cc(F)c(NCc2ccc(NC(=O)c3ccncc3)cc2)cc1Br 1611923530 FRAIYEYXYUAKBJ-UHFFFAOYSA-N 425.261 4.719 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc3c(n2)CCCC3)cc1C 1612119274 BWECDKMLEHKBQI-HXUWFJFHSA-N 444.583 4.534 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](Cc1ccccc1)C(C)=O 1613299635 YSSDTRZOXXVYFE-HXUWFJFHSA-N 427.957 4.989 30 10 IJEE CC[C@@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@H](C)C3 1613394136 ALYBIFDMHXRDNM-KBPBESRZSA-N 425.579 4.975 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(I)cc(Br)c1C 1618693537 ZUUFJYCWVNYWLK-UHFFFAOYSA-N 436.131 4.694 30 10 IJEE C#Cc1cccc(NC(=O)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)c1 1622737413 AKZAQORHIXMGRR-HXUWFJFHSA-N 427.342 4.952 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@@](C)(C#N)C3)c2)cc1 1623743045 FRAYFFHKYANEHF-DEOSSOPVSA-N 439.581 4.596 30 10 IJEE C=CC[C@@H](C(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1)c1ccccc1 1623807292 YYHCFPNNWVGBKR-XMMPIXPASA-N 447.604 4.823 30 10 IJEE COc1cccc2c1OC[C@@H](NC(=O)Nc1ccc(Sc3ccccc3C#N)cc1)C2 1624848514 CSGWKIXODVRJEK-IBGZPJMESA-N 431.517 4.843 30 10 IJEE C#CCN(C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCCc2ccccc21 1626710834 OJZIIHOABBZBSD-VWLOTQADSA-N 430.548 4.575 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)cc1 1627492728 KMUDGZUDTSGDNV-UHFFFAOYSA-N 442.899 4.538 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OCCCC)c(OC)c1)c1ccc(Br)cc1 1629150549 IDKGUTSGIGMPIE-LJQANCHMSA-N 445.357 4.810 30 10 IJEE C#C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1 1631246570 XGLOHZPCBHMMHG-JOCHJYFZSA-N 430.379 4.879 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 1632329154 JWSCOHVKHJYZDT-INIZCTEOSA-N 431.335 4.663 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 1636821616 SNSNNDSFGDEQLY-DEOSSOPVSA-N 448.588 4.911 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 1638171873 MJFLPMPDLVBIDW-UHFFFAOYSA-N 429.874 4.819 30 10 IJEE N#CCn1c(C(=O)Nc2cc(O)c(Br)cc2Br)cc2ccccc21 1641526304 BVEXMJHDUQJTDB-UHFFFAOYSA-N 449.102 4.648 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1641582132 DYMJORYGOZAQJX-NQIIRXRSSA-N 426.557 4.832 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1C 1641998289 GPJXFINILNFUPM-XNMGPUDCSA-N 444.623 4.537 30 10 IJEE CCCn1c(C)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c2cc(OC)ccc21 1644167001 AEILYYNQTRVKFH-UHFFFAOYSA-N 444.579 4.634 30 10 IJEE C#CCN(C(=O)c1sc2cccc(F)c2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1651973337 KHZARFFSMQFTCC-UHFFFAOYSA-N 430.545 4.824 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC(C)C)c2ccccc2C)cc1 1667321934 JTCLJBVEUQYYAU-JOCHJYFZSA-N 429.586 4.710 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 1667533586 SEWJWUVXNIULRP-LJQANCHMSA-N 430.508 4.542 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1 1673006901 CKMIXOYUYIZYFH-UHFFFAOYSA-N 433.464 4.547 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 1673275706 FVKJCDMIZIGGAT-WIQPIVSASA-N 434.540 4.929 30 10 IJEE N#CCc1ccnc(NC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1 1673992077 BWVPNXKYBBESIY-UHFFFAOYSA-N 432.355 4.584 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CCCCC3)cc2n1 1674576496 KYNPMXJIJAWBBZ-OAQYLSRUSA-N 441.576 4.817 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1cc(C)c(OCc2ccccc2C)c(C)c1)[C@H]1CCCO1 1680313828 BCJTVGIDSFPPNF-JWQCQUIFSA-N 434.580 4.903 30 10 IJEE C=CCC1(CNC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)CCCC1 1681084836 ILMJQQILIQEFKS-UHFFFAOYSA-N 442.604 4.913 30 10 IJEE CC(C)(CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1c(Cl)cccc1Cl 1684113481 HLIHDFCBPNIUBA-SFHVURJKSA-N 445.394 4.691 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 1687036815 WEHVKTAJPQTWNI-VQIMIIECSA-N 448.405 4.944 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCC(C)(C)C)c1 1689870698 XDYGLXZTXGVAAV-UHFFFAOYSA-N 444.583 4.531 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1689888775 QKMLCDDMAAWFIX-DHIUTWEWSA-N 440.563 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1689954286 RWSJCBRZKUNHBC-HIFRSBDPSA-N 426.870 4.970 30 10 IJEE C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1689971919 AOHOIFPTUBEEIU-WIOPSUGQSA-N 447.652 4.667 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCOC1CCCCCC1 1690008842 QNASDOUPOXAVJS-UHFFFAOYSA-N 428.939 4.550 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690037559 XWEKKVBQFQENGY-UXHICEINSA-N 425.458 4.573 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1690166192 XWICKLGLZWRDNR-CTNGQTDRSA-N 449.624 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1690261558 QUACNIWSPRDVQD-LADGPHEKSA-N 446.643 4.987 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCSC2)CC1 1690417022 BACRLHHIVAPYEZ-SFHVURJKSA-N 430.643 4.735 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cscc1C 1690567916 UQKKOPOTXCXRHI-UNMCSNQZSA-N 438.597 4.613 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](CCC)OC)C1 1690690122 RQUZZLFDJHNJJW-IRXDYDNUSA-N 439.387 4.848 30 10 IJEE CC(C)(C)OC1CC(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)C1 1692851646 GENDWIGUSNKVGS-VICHATHASA-N 429.609 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)C1CCCCC1 1705478034 VNPBQISADAYCPA-XFAGBWLFSA-N 445.007 4.861 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(F)cc(F)c1 1705705503 IIQOAXLBILZHJD-GCJKJVERSA-N 444.551 4.826 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC=C(c2ccccc2)C1 1705721773 XVFUFVAHQFMSFO-UHFFFAOYSA-N 438.373 4.916 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@](C)(CC)C1 1705748184 HCGKXVZJBLXMOP-SFHVURJKSA-N 443.748 4.605 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705779987 AVALWPPFGYISBT-AVRWGWEMSA-N 435.572 4.800 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(=O)OC)C1 1705786603 TUOPOOFKJMFEJJ-UXHICEINSA-N 440.588 4.637 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1705786709 WEPFPPQPZNVUGY-ROUUACIJSA-N 448.409 4.786 30 10 IJEE C=CCCCCn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1705809340 OKXSUHFNHQGFRG-DEOSSOPVSA-N 445.007 4.891 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705809360 PEZOVTFMKQYHCT-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1Cc1cccnc1OCC(F)(F)F)C1CC1 1705852459 SCZARTVKOSMIMH-UHFFFAOYSA-N 447.436 4.623 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC(=C)Br 1705857771 LGUHBBLPNBDTAL-UHFFFAOYSA-N 438.329 4.819 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CCc1sc(C)nc1C 1705878011 HNMGVCKASCGTBW-OAQYLSRUSA-N 437.613 4.681 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(C)CCCO2)c1C 1706978253 BCSDERCHZZRHOJ-YNJKOYDBSA-N 437.588 4.734 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1708595670 CRGWXWMTZRJISP-WZONZLPQSA-N 427.618 4.887 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(N(C)C)CCCCC2)cc1 1708911751 GWZAJEANIILEND-VWLOTQADSA-N 434.632 4.902 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1 1711076452 AJDKKWFUSNIDGI-UHFFFAOYSA-N 441.988 4.863 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCc2sccc2[C@H]1CC 1722483064 HEEGEFBDRMOGQT-MRXNPFEDSA-N 430.375 4.824 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC(C)(C)C1 1722497506 WXYPHBZLBPKRRO-SIKLNZKXSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCCCc1ccccc1 1722497526 XFXMJDIISFCNRR-UPVQGACJSA-N 431.584 4.780 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCC(C)CC2)CC1 1722570244 XZUYNSFOZLWZPT-UHFFFAOYSA-N 425.646 4.767 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722577884 SRWBEXPZRYJJDN-GHTZIAJQSA-N 443.636 4.984 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCN(C)Cc2ccc(F)cc2)CC1 1722580331 QDSGTYYZQNUEHT-UHFFFAOYSA-N 439.604 4.604 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C 1722667148 UNXFSRJERKTATF-LVXARBLLSA-N 445.696 4.916 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2COc3ccccc3O2)n1CCC(C)(F)F 1722676909 OQRMMDAEEBPVND-HXUWFJFHSA-N 444.482 4.664 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H](C)N2CCCCC2)C1 1722714595 IMGIKTYINYBLRR-UXHICEINSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1722740714 ROEUWVVXEYGZBQ-FQEVSTJZSA-N 425.646 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H](C)C1CCC1 1740764119 UQDJPYXQKKNDRR-QNIAMRLHSA-N 449.599 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)cc1 1740768161 GBGULQNIVBZROX-UHFFFAOYSA-N 432.341 4.820 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1740885233 BJDABGJIXUUKRO-UHFFFAOYSA-N 429.996 4.873 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@]1(C)CCCS1 1740919733 QBWKIMZLLDXDST-QHCPKHFHSA-N 425.577 4.901 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(C)C)CC1 1740920506 QBSLNRAFQBCMJN-UHFFFAOYSA-N 436.585 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCN1CCC[C@@H]1C 1740924067 FNPXFQBADVKYPZ-SFHVURJKSA-N 427.643 4.669 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1CC1(C)CCC1 1740933922 KSATXAUYDCZGBJ-UHFFFAOYSA-N 431.378 4.988 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1746077181 DEWAUTQZCLOYNN-ZEQKJWHPSA-N 443.599 4.553 30 10 IJEE CCO[C@@H](CCn1c(C(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C 1746622868 FNVYPGFXRMPTQW-QHCPKHFHSA-N 439.604 4.772 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccccc2C)C1 1748706986 XFKJOLLJMXZHPY-NRFANRHFSA-N 435.959 4.683 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccc(C)n1 1748770695 DHNUOUQUFPXUBC-LJQANCHMSA-N 437.975 4.704 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)C1CCCCC1 1748913322 ROMAHDRLPBALTQ-UHFFFAOYSA-N 430.600 4.526 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)C1CCCCC1 1749049912 RUQSIANJEZEXOZ-CEWLAPEOSA-N 432.678 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1749131828 WCQGCZBEAKEFQK-WBJOIXBTSA-N 443.680 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@@H]1CCO[C@H](C)C1 1749149279 YKCZAYFEJNHYRR-RTBURBONSA-N 428.577 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)N1CCCCC1 1749153515 XEKYWSBLZRPZEV-UHFFFAOYSA-N 447.631 4.798 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1749217977 FNEJLSIETYYRGW-UHFFFAOYSA-N 441.479 4.551 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCN(CC)CC)CC1 1749292964 ZIAJLKZHIUGOHM-LJQANCHMSA-N 432.012 4.960 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](CCC)C1 1749447618 IZFOLMDJPRXNSE-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCC2(CCC(F)(F)CC2)C1)C(C)C 1749556770 AJFWNZNQHSQCDM-FQEVSTJZSA-N 435.607 4.945 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CC)C[C@@H](C)CC 1749653192 YBACSWOTBQNLEQ-HNNXBMFYSA-N 446.020 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCC)C1 1749697343 JDNQIHKRGZOAER-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCN1CCCC1 1760105326 CSOKXVIZMJJQKL-SFHVURJKSA-N 437.588 4.757 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(CCOC)CCCCC1 1760163552 WFZKMMKZHOCKOZ-LJQANCHMSA-N 428.552 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1760327366 GMSBCIWQTUMKMG-OQEHDIDLSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C)(COC)CC1 1760343273 JXECEKJEYPUTNW-UHFFFAOYSA-N 436.556 4.946 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(O)(CC)CC)CC1 1760382577 UEZPRJRIEPBBHG-LJQANCHMSA-N 428.577 4.524 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760433614 VALVHGHTKMPAHW-RTBURBONSA-N 438.551 4.641 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccccc1Cl)C1CC1 1760472102 VFKKZHQOTIALFT-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1760483974 IKHZRNAUKZRCCK-PWHSHALESA-N 430.618 4.774 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H](C)C1)C(C)C 1760488538 XWZGDXGOCUWIMB-SGIRGMQISA-N 446.643 4.998 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl 1761348688 GZKSMMIKJIMOLO-INIZCTEOSA-N 448.914 4.735 30 10 IJEE CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1ccc(C(=O)O)cc1 1772761356 GPJYCYRTWDSHDL-SKCGTWTRSA-N 431.311 4.771 30 10 IJEE Cc1sc(NC(=O)c2c3c(nc4c(Br)cccc24)CCOC3)c(C#N)c1C 1859647467 QVUSXMIBZRMJEQ-UHFFFAOYSA-N 442.338 4.872 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)c1C 1860305282 SSPRZINPQJEJFD-UHFFFAOYSA-N 428.964 4.537 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)c1C#N 1860659483 DIPRQELRWGVHPZ-AWEZNQCLSA-N 431.508 4.686 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(F)c1 1862430298 HSPFBPKAEAZSMJ-NRFANRHFSA-N 444.934 4.789 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1862476724 NMUIKHIWQKOLNT-XMMPIXPASA-N 443.499 4.802 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)cc1 1862524594 IMKJDFQLDKFBIL-IBGZPJMESA-N 444.325 4.692 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862602802 LBNJKEABPYJNIA-DEOSSOPVSA-N 443.499 4.958 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc2ccccc12 1862644311 IEBWRGNFQVVJOC-QHCPKHFHSA-N 449.478 4.602 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1F 1862687407 KVFITURUCOIVEI-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862688162 SNJCCTHZGYFGOH-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H](C)O)c1 1862720102 SJEXYEHHVVZHHU-OSPHWJPCSA-N 445.515 4.588 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2)=C(c2ccc(Cl)cc2)C1=O 1863174710 YBJBQWLVVYBQTI-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)cc1 1867671463 SCALDZYFITTYSB-RRPNLBNLSA-N 447.538 4.870 30 10 IJEE CC(C)c1cc(C(C)C)cc(-n2nnc(C#N)c2NC(=O)c2ccc(Br)o2)c1 1870160130 XETUTTYCICXUBE-UHFFFAOYSA-N 442.317 4.994 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCOCC1 1870620399 CAZWYVAKZWMROT-UHFFFAOYSA-N 426.601 4.928 30 10 IJEE C=CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870810883 WMKUTYMWNPJEOB-VWLOTQADSA-N 430.548 4.795 30 10 IJEE C=CCn1cc(OCCCCCCC)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870835649 BUEWAAJYOCSWFU-UHFFFAOYSA-N 429.517 4.912 30 10 IJEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1871232669 NRCXLUJPDSUPFB-UHFFFAOYSA-N 448.519 4.771 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1 1871345868 VMWRFEQYDNTTDF-NHDPSOOVSA-N 433.485 4.503 30 10 IJEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)C1 1871353264 KCIPTEZAZDSOHD-GNKPEBMXSA-N 439.508 4.587 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 1871355390 IVDMECZEIMLPIH-JMIUGGIZSA-N 429.501 4.901 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871425292 HYXKIEMZMMEQCB-KSJDGYIASA-N 449.459 4.627 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871432632 FHVCYSYSAJKJMA-DKNZLLBESA-N 430.884 4.612 30 10 IJEE COc1ccc(-c2cc3ccc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)cc3oc2=O)cc1 1871436203 QCEHYOGSVRCQEF-MRXNPFEDSA-N 440.455 4.746 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871437742 ANPQMPYUPZVGQC-WDDBSPGISA-N 437.275 4.567 30 10 IJEE CCCCN(CC)CC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)c(CC)s1 1872799021 CFTIJYPAWVJYFW-KRWDZBQOSA-N 429.586 4.688 30 10 IJEE COc1cc(/C=N/Nc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)ccc1OC(C)C 1873526637 ORXZZAYFMSDHHY-BHGWPJFGSA-N 447.322 4.781 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NC[C@@H]3CCCO3)ncnc21 1873612204 JLVOOOGXWHSAHJ-FQEVSTJZSA-N 433.556 4.803 30 10 IJEE CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874397515 AUXOXCOCPZYDTK-NLRVBDNBSA-N 442.544 4.887 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccccc1C(=O)O 1874438662 MCGXIUXOJNXEDV-ZMOGYAJESA-N 426.517 4.879 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874503922 BUGRXUWVQZALKC-DHRITJCHSA-N 447.486 4.862 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(F)c2)cc1C 1874510722 XLJMXDMWOAJRPO-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2/N=C/c2c(Cl)cccc2Cl)cc1C 1874534343 DNJURIKDOSPJMT-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)N(CC)CC)cc1 1874579969 QWANAJHZEBQPPY-DTQAZKPQSA-N 425.525 4.627 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)OCC(C)C)cc1Cl 1874590823 KCQZKNWEMQNPHL-CSKARUKUSA-N 432.900 4.831 30 10 IJEE C=CCOc1c(OC)ccc(/C=C/C(=O)c2ccc(OC)cc2OC)c1Br 1874599115 VVROMNISJWGLTG-UXBLZVDNSA-N 433.298 4.936 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 1874612994 WQEOCKBXTGHXBI-UXBLZVDNSA-N 431.479 4.897 30 10 IJEE Cc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1 1874701598 APPRNIAPTCIWCE-JXMROGBWSA-N 432.388 4.927 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)C1CCCC1 1874717194 DHMQGYWGGMCKMX-FMIVXFBMSA-N 440.492 4.713 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)cc1 1875104467 YTLDKUNTPFBFOY-NTUHNPAUSA-N 448.471 4.593 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cnccn2)c(Br)c1)c1ccc(F)c(F)c1 1875162566 OISJBPGYAUTBPH-ORCRQEGFSA-N 445.219 4.633 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)[C@@](C)(C2CC2)C1 1964262704 IORZCUKZBIJINM-OAQYLSRUSA-N 434.378 4.542 30 10 IJEE C=C[C@]1(Oc2cc(NC(=O)OC(C)(C)C)ccc2N)CCCN(C(=O)OC(C)(C)C)C1 2021705872 JDRIRAWDUDVKMA-QHCPKHFHSA-N 433.549 4.950 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 2037376894 XTQCFMIRJALIPS-ICSRJNTNSA-N 445.560 4.512 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(Cc2ccccc2)CC1(C)C 2037425655 FURBALOJEZBDPG-XTEPFMGCSA-N 436.640 4.791 30 10 IJEE N#Cc1ccc(NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)c(Br)c1 2043966802 IYGYDXGBTUIJHY-UHFFFAOYSA-N 446.320 4.874 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]21 2048094213 GUWUEONQQBPOOU-JLHGSKIFSA-N 448.568 4.996 30 10 IJEE O=C(O)c1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079144702 CMVLLVZTRUOVDO-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(I)c1C#N 2080025070 MWXUFGXDPHYIOW-CQSZACIVSA-N 431.199 4.686 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCOCCC1(F)F 2097095834 MDOXHDRDHPYLNQ-QGZVFWFLSA-N 431.277 4.899 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 2181136073 TYDXDPPSKOHNED-QGZVFWFLSA-N 430.302 4.525 30 10 IJEE CCCN[C@H](C#Cc1ccc(C)cc1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2231148235 XRGIGIPMVYLPQT-AREMUKBSSA-N 449.639 4.742 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2ccccc2Br)CCC2(CC2)CC1 2235738916 DMGDQLOWBPFSOA-SFHVURJKSA-N 434.374 4.779 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCCC3)s2)OC1(C)C 2247845911 XLYUIUWMUJEASS-UHFFFAOYSA-N 425.403 4.880 30 10 IJEE N#Cc1cc(Br)ccc1NC1CCC(NC(=O)OCc2ccccc2)CC1 2249989443 HWHWZXNDPVNLBQ-UHFFFAOYSA-N 428.330 4.970 30 10 IJEE CN[C@H](CC#CC1CCCC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2261102133 APVFGNPNELKMCV-XMMPIXPASA-N 439.644 4.718 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)[C@H]2CCC[C@H]1CC(N)C2 2285862968 JXVRYZMOJWKBSD-MZJZNKMSSA-N 434.378 4.990 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@@H](O)C#Cc2cccc(Br)c2)CC1 2296218454 DYJABVMKNFZKIA-UEUGHCDMSA-N 436.390 4.883 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CCC1(C)CN(C(=O)OC(C)(C)C)C1 2296274405 UJNJNHDIFFBVPL-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2296274428 UPDIGXKNXSUKII-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE CCN=C1S[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1 2297451700 RJDQGDMFGQZOSN-MRXNPFEDSA-N 428.385 4.975 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2cc(OC)cc(OC)c2)C1=O 2297485907 SGEPRXRYEXSBJL-UHFFFAOYSA-N 425.506 4.556 30 10 IJEE CCCN[C@@H](C#Cc1cccs1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2300751061 UAYJHRHDJLKCGU-FCHUYYIVSA-N 442.625 4.968 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@H]3CC[C@@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2301449614 SQRMVSFDXNIADB-SFTDATJTSA-N 449.360 4.596 30 10 IJEE C=CCN(Cc1ccccc1)C1(C(=O)O)[C@H]2CCC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2306618483 UAKNMBOACXBREB-BKUGKHNKSA-N 428.573 4.601 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)N(CCC)CCC)nnc1C1CC1 2320879146 ALXDQICLQLSCFP-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE Cc1cc(OCCCc2nnc(S)n2N=Cc2cccc([N+](=O)[O-])c2)cc(C)c1Cl 2322286329 MIHFHIOPGZROJM-UHFFFAOYSA-N 445.932 4.639 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc5nc(C)c(C)nc5c4)ccc3C2=O)o1 2323555002 MTWFIJLBFGVENZ-UHFFFAOYSA-N 426.428 4.983 30 10 IJEE CCOC(=O)CN(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1ccccc1)C2=O 2324048058 SOFONGJGXOCCNE-UHFFFAOYSA-N 443.499 4.574 30 10 IJEE COc1ccc(C=C2Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)c(OC)c1 2324055164 MKYLYRRJTDAGIF-HOTGVXAUSA-N 437.536 4.812 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324982645 MTFRCQVLMNBUJO-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE COc1cccc(C=C2Oc3cc(OCc4nc(O)c5ccccc5n4)cc(C)c3C2=O)c1 2325204232 XWTIPBKKNWKZNW-UHFFFAOYSA-N 440.455 4.848 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325723316 YGMWYNIJUSHPRY-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc(O)c1 2326272790 ZMXGRHLTVBNXSD-UHFFFAOYSA-N 438.553 4.554 30 10 IJEE CCOc1ccc(OCc2nnc(SC)n2N=Cc2ccccc2OC(C)C)cc1 2326629195 IMMGOAWOIWHSKA-UHFFFAOYSA-N 426.542 4.647 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2330632334 GMCQFWIZIUKEGD-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 2331065959 BKTDXEJNGKXYGZ-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc(C)c1 2331324409 WJHOPKQWWQJYDA-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE C=CCN(C[C@@H](NCCC)c1cc(Br)ccc1OC)C(=O)OC(C)(C)C 2339199531 CCXVPXVNQXKLNH-QGZVFWFLSA-N 427.383 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339541646 PLVJVPDYCVMPIN-DEOSSOPVSA-N 443.397 4.785 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339594234 QMTGCFFLMQHBIF-SZEUEKNRSA-N 443.397 4.926 30 10 IJEE CC(C)[C@H](CNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339599808 OQNFHGJTSKQSES-JXOMPUQVSA-N 446.397 4.902 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1ccc(Br)cc1OC)C(=O)OC(C)(C)C 2363129969 HKPNFORFMPVQSZ-GOSISDBHSA-N 439.394 4.759 30 10 IJEE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)N(CCC#N)c2ccccc2)C1=O 1868083 SXGYVLFJTSQXHB-PSNBXYPMSA-N 447.585 4.781 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(OC)c2OC(C)C)cc1 21258087 XCALJELOJDTEEO-WIYYLYMNSA-N 449.547 4.885 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nccn1-c1cccc(Cl)c1 25410879 BPOPEXJSAQOMJB-MRXNPFEDSA-N 440.956 4.962 30 10 IJEE Cc1c(C#N)c(N)n(-c2c(Br)cc(Br)cc2Br)c1C 37352825 XMPPMQCKYUUMJY-UHFFFAOYSA-N 447.956 4.836 30 10 IJEE O=C1C(c2ccc(Cl)cc2)=C(N2CCN(c3ccccc3)CC2)C(=O)c2ccccc21 39892154 IWKDRYRHQVVWSV-UHFFFAOYSA-N 428.919 4.953 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN(Cc1ccccc1)CO2 41648469 VTIVDLYLLGIOFY-UUYOSTAYSA-N 428.444 4.872 30 10 IJEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1F 59158408 IKLHNLHWBKCPII-XDVRJGRWSA-N 444.535 4.885 30 10 IJEE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3ncccc3OCCCC#N)c2Cl)cc1 72087518 ORYAITWUUGWRNS-VAWYXSNFSA-N 449.942 4.931 30 10 IJEE CC(C)c1ccc(-c2ncc(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)s2)cc1 97600674 AOQCUKUEVJWDTK-XMMPIXPASA-N 430.533 4.772 30 10 IJEE O=C1/C(=C\c2cc([N+](=O)[O-])ccc2O)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 103138974 SUYRXQZAULQIKW-QMSJJHEMSA-N 445.500 4.973 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2cccc(F)c2)C2CC2)n(Cc2ccccc2)c1C 108134322 BPJIOELUHSPRPZ-UHFFFAOYSA-N 430.527 4.767 30 10 IJEE N#CCCN(C(=O)CCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1 110928691 HYCAARUDIBASFR-UHFFFAOYSA-N 436.512 4.539 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(OC)c2)c1 169930768 DMNPRSMUHCHJFI-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2OC)c1 169940690 MEUYZRFGVHCPPS-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(N(C)C)cc2)cc1 169953951 BZFZUJPWJBGYDW-OAQYLSRUSA-N 447.560 4.917 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(O)cc2)c1 169959133 JNPYXBUVSVNIRV-FQEVSTJZSA-N 434.517 4.865 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccs1 169989316 NYIVOZWDGXJYIW-NRFANRHFSA-N 437.492 4.717 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccn2)c1 169990744 ANKFPWQNYGMJAU-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(OCC)cc2)=C(N2C[C@@H](C)O[C@H](C)C2)C1=O 169993772 GMXSAEFPLMEZKV-WOJBJXKFSA-N 442.600 4.635 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 170054106 MHOTVOYZYBNDFP-XMMPIXPASA-N 427.500 4.825 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)cc1 170063607 UGVIZFFAMDBHBF-QHCPKHFHSA-N 442.446 4.879 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170117152 PHFSJHAOKUTHHU-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(N(C)C)cc1 170129681 GNGQSYJZPNHHPD-QHCPKHFHSA-N 436.552 4.838 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1C(C)C 170134351 OTWIWIVENSFGHB-HSZRJFAPSA-N 447.487 4.896 30 10 IJEE CC[C@H](C)OC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)c1 170181258 GYWQMXNKFPEORK-HNNXBMFYSA-N 447.560 4.790 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccncc1 170211015 BDRPFDWZAMVFEO-FQEVSTJZSA-N 444.915 4.521 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1OC 170286562 FPAHAXUFPMGTJA-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306163 UKDGLLVNXVHVSC-IBGZPJMESA-N 440.358 4.557 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccncc2)cc1 170413964 JJEHHHVQBCZKDK-JOCHJYFZSA-N 447.560 4.768 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 170468078 HLTDSXJOKVAOFH-NRFANRHFSA-N 435.520 4.896 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(OC(C)C)cc2)c1 170474039 VVSFWUZBIFYKIU-JOCHJYFZSA-N 437.536 4.993 30 10 IJEE Cc1ccc(N=Cc2ccc3c(c2)OCO3)cc1S(=O)(=O)Nc1cccc(Cl)c1 254513097 YNFPSSBAVIJKLY-UHFFFAOYSA-N 428.897 4.929 30 10 IJEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccn1 255755140 JOLHFXXITMIORN-OAQYLSRUSA-N 448.523 4.690 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)c2ccc(I)cc2)C1 309985076 XCJPLJRACCMKPZ-ZBFHGGJFSA-N 426.298 4.545 30 10 IJEE CC1(C)OB(c2ccccc2COc2c(F)cc(F)cc2Br)OC1(C)C 312405638 QWERINBGOLBMFY-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE N#Cc1cccc(CNC(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1 425947327 SKIJKVNFJPBISN-UHFFFAOYSA-N 439.393 4.624 30 10 IJEE N#Cc1ccnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1 436028654 PHQFLAHLMVNXIZ-UHFFFAOYSA-N 444.292 4.821 30 10 IJEE CN(C(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1CCN(c2ccccc2F)C1=O 488016405 UULFFWSFHPOCOR-NRFANRHFSA-N 445.519 4.726 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 504072919 AEKBPSWKNQCDLW-VWLOTQADSA-N 433.508 4.532 30 10 IJEE C[C@H](N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccc(C#N)cc1F 512674802 ZFNJTGLDSMLVAI-LFVRLGFBSA-N 444.478 4.819 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(SCc3ccco3)C2=O)cc1 526668824 USNUMPQUXURNCY-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 549640124 XQYDQHOSLAGMRE-HXUWFJFHSA-N 436.604 4.858 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)c2ccc(C)cc2C)CC1 554649229 QSTIGLDJXHQHMJ-UHFFFAOYSA-N 445.523 4.755 30 10 IJEE C=CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 561902041 JISNBVBTSXLSEX-OAHLLOKOSA-N 440.491 4.618 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)Cc3ccccc3F)C2)c1 586058717 XQVMXOSJWZCBKK-QFIPXVFZSA-N 437.559 4.627 30 10 IJEE Cc1ccc(OCCCC[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 586352199 TVELNBMCFPRBIL-BJLXPSRBSA-N 444.622 4.599 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)/C=C/c3ccccc3)CC2)cc1 586507714 OPIGZRFJADRFIP-GIJQJNRQSA-N 441.593 4.830 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 609413644 HBLOLYLYZAGDKW-QHCPKHFHSA-N 447.514 4.724 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCCCC)CC1 670227470 ADWSZZISWJTART-UHFFFAOYSA-N 429.996 4.697 30 10 IJEE C#CCN(C(=O)N[C@@H](C)CCc1ccc(C)o1)[C@H]1CCOc2ccc(Br)cc21 743671841 FECZQLKNOBJWLO-YWZLYKJASA-N 445.357 4.840 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 904556748 QZLYPMXCFTXBDR-CYBMUJFWSA-N 442.944 4.682 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C/c3ccccc3)n2)cc1Cl 1084534725 DYAUQQTVXRQVEV-MPJFWOGISA-N 426.933 4.608 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3-n3cccc3)CC2=O)cc1Cl 1125848060 HJXQBFGKMMKMAJ-OAHLLOKOSA-N 439.302 4.647 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)CCCc3ccc(Br)cc3)CC2)c1 1125932305 GTTFKACQJYKQQX-UHFFFAOYSA-N 427.342 4.713 30 10 IJEE N#Cc1ccc(OCC(=O)N(CCc2ccc(Cl)cc2)CC2CC2)cc1Br 1126100130 DTCNGNZBSKQQHL-UHFFFAOYSA-N 447.760 4.834 30 10 IJEE C#CCN(C(=O)c1c(F)c(F)cc(F)c1F)[C@@H]1CCOc2ccc(Br)cc21 1126229943 UDKKIEXHGXAVHU-CQSZACIVSA-N 442.206 4.605 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1cccc(CCC(F)(F)F)c1 1127059074 IECBARRBLGQROL-UHFFFAOYSA-N 427.220 4.833 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cc(Br)c(CC)c(Br)c1 1127798703 GYKSTQZWHQSNCR-UHFFFAOYSA-N 441.085 4.802 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccc(C)cn2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003698 WVJFEACKCOQTJB-DEOSSOPVSA-N 444.531 4.985 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c(OC)c1 1128520844 KTAULWCYOAVIHH-UHFFFAOYSA-N 426.419 4.907 30 10 IJEE Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cc2)cc1 1129976845 AXEQIFZAMAHPMX-RUZDIDTESA-N 444.556 4.648 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(Br)c(OCC)c(OC)c1)c1ccccc1 1134655110 WYBLMNDSMTZXCR-SANMLTNESA-N 438.343 4.710 30 10 IJEE C=CCN(C(=O)c1cc(C)n(Cc2ccccc2)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1138239182 TUFXHOSMVQXKAQ-AREMUKBSSA-N 444.575 4.956 30 10 IJEE CCN(CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 1142366131 ADJOGNSLCKKTGC-KKSFZXQISA-N 433.474 4.544 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)cc1)C(=O)OCC 1158280913 MIDGEBCRVONZFB-LJQANCHMSA-N 432.314 4.869 30 10 IJEE C=CCn1c(SCC(=O)COc2ccc(Br)cc2)nnc1-c1ccccc1 1164453465 KIQDGHHDTVPADL-UHFFFAOYSA-N 444.354 4.634 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)cc1OC 1167204501 JYRMBHFCICXBDR-NSHDSACASA-N 426.257 4.792 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1183303390 FJUVPIIIVWFTQO-OAHLLOKOSA-N 427.353 4.879 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 1188621207 VPCUDXAEAHSEAA-IBGZPJMESA-N 442.947 4.745 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@@H]1CCCO1 1197352815 YMOXARQWFRTMAA-OALUTQOASA-N 431.355 4.903 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1C#N 1205525490 HJZROSIBGVHLRU-UHFFFAOYSA-N 447.004 4.799 30 10 IJEE CCCc1c(NC(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)cnn1-c1cccc(C#N)c1 1205783803 CTCUITKILRXDSU-UHFFFAOYSA-N 442.523 4.856 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](c3cncc(Br)c3)C3CC3)cc2n1 1220157223 BOOBOBYQZRZPGU-IBGZPJMESA-N 426.318 4.653 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OC)cc1C(F)(F)F)c1ccc(Br)cc1 1221639026 LAOQPGBGCXOKQL-KRWDZBQOSA-N 441.247 4.650 30 10 IJEE C#CCN(C(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCCc2ccccc21 1230020677 KTSKBTMIBZZRTE-DRLORSAXSA-N 429.608 4.865 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CCOc3ccc(Br)cc32)cc1 1269746272 XXILDTLSJANLEK-GOSISDBHSA-N 444.325 4.963 30 10 IJEE C=CCC1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)CCOCC1 1271204054 BCBUCWAOAFFSCY-SFHVURJKSA-N 426.582 4.898 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)c1ccccn1 1286423839 WZCVHNLWLOTELA-UHFFFAOYSA-N 448.574 4.637 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286445636 ABLRJHKCZUQNIP-INIZCTEOSA-N 440.016 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nc(C(C)C)cs1 1286565694 HIDBQOFPTYUIEX-UHFFFAOYSA-N 441.601 4.993 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1286578330 CWXYJKSPVGQIAS-FDDCHVKYSA-N 430.666 4.547 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1286661301 ZBDQJWBSKLEXPG-XLIONFOSSA-N 429.609 4.594 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 1286705783 FIOSQNZSUFJTEP-OALUTQOASA-N 448.995 4.506 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=C(C(F)(F)F)CC1 1286772244 WLLPPDZBJSDBHM-UHFFFAOYSA-N 427.268 4.901 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286799488 VPNMZHSORCBRNI-OAQYLSRUSA-N 438.616 4.611 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1287792989 HPJSYMMFAPREQD-MSYCTHLASA-N 434.964 4.632 30 10 IJEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1290117961 FXIKNNSUJFRFOH-WXVUKLJWSA-N 425.552 4.537 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 1294491726 BCUXKMNADWTRKF-INIZCTEOSA-N 433.763 4.914 30 10 IJEE N#C[C@@H](CCc1ccccc1)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 1295581118 ABYMCELUEIHPCM-LJQANCHMSA-N 430.379 4.847 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccnc1)C(C)C 1295744177 FCNHDMUXUVDVCY-DNQXCXABSA-N 444.583 4.657 30 10 IJEE CN(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)C1CCCCC1 1298037317 GYJWIGDWYRAKNM-HSZRJFAPSA-N 426.653 4.651 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(Nc2ccccc2Cl)CC1 1300761643 DGOFDAFDTXYWTD-UHFFFAOYSA-N 432.037 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1COCC 1300790407 PRDXOCHCGNTESZ-XMMPIXPASA-N 435.959 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1300897531 SFMDYYMCICBUCU-AVRDEDQJSA-N 442.560 4.675 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2OCC[C@H]2C)CC1 1301106021 PNAZKLMKYURCFB-CBGDNZLLSA-N 430.980 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC)(CC)C1 1301141212 JPIGOMXTKHQPFB-UHFFFAOYSA-N 434.592 4.540 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1301178650 QYYPOGIQKJVAFG-UHFFFAOYSA-N 446.477 4.546 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1301238889 GWAOACUZFBSVOX-UHFFFAOYSA-N 449.599 4.788 30 10 IJEE C=CCCOCCn1c(N(C)Cc2csc(Br)c2)nnc1C(C)(C)C 1301259411 LEKRFTUOYKHOTC-UHFFFAOYSA-N 427.412 4.629 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC)[C@@H](C)C1 1301601768 JATQYEBPKOYSSW-HNNXBMFYSA-N 440.444 4.702 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1C)[C@@H]1CC[C@H](C)C1 1301744889 HMJYTVHYZQLCBE-LAUBAEHRSA-N 435.597 4.876 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(F)cn2)c1C 1304016761 APSXERTYZBIKNB-IBGZPJMESA-N 448.546 4.747 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCC(C)CC1 1306578710 GFNRYKZLKZXFNQ-ABGUIGEDSA-N 439.604 4.949 30 10 IJEE C#C[C@@](C)(CC)NCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)cc1 1307781629 KQBQCFXWIRNGTO-XCZPVHLTSA-N 439.559 4.918 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccco1)c1ccccc1OC)c1ccc(Br)cc1 1312245777 CGJJDBRPPYHDSX-RXVVDRJESA-N 439.309 4.814 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1)c1ccc(Cl)cc1F 1312941279 DRKXAQBHTICMIO-QZTJIDSGSA-N 425.262 4.729 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)c1ccc(Br)cc1 1356183211 WUXBCPXPLYFQTH-CYBMUJFWSA-N 433.298 4.682 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@H](SCC)C1 1358908588 BZKWXQXYIXVPEQ-FQEVSTJZSA-N 440.613 4.632 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC(F)(F)F)CC1 1358927351 VOGPABUESUJOFP-UHFFFAOYSA-N 442.489 4.713 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1358930318 SICAOZWLVMIPQE-GOSISDBHSA-N 425.646 4.999 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1358969029 FMXNPOGSYYLYDL-JBRSBNLGSA-N 448.611 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1ccsc1)N(C)C 1358988061 BBKGTBBYLGBWFE-NRFANRHFSA-N 443.576 4.519 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H]1CSC 1359131715 CJVZBFCASIMSHB-IBGZPJMESA-N 439.585 4.525 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ncc(CC)s1 1359144369 GOLQHAQJWAADHC-UHFFFAOYSA-N 439.919 4.954 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1359182211 WYZKMIQXCHFDTQ-RTWAWAEBSA-N 426.630 4.832 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H]1C 1359223863 YGDIZPCJTQZEAA-CVEARBPZSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@@H](C)C1 1359260292 ZDTBMMQOXKKQBM-PMACEKPBSA-N 437.563 4.821 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)c(F)c1 1359277135 CNPNBAWFWLXEEE-LJQANCHMSA-N 442.510 4.521 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)c2ccc(OC)cc2)C1 1359322642 ZODNCGYENVEPKN-NRFANRHFSA-N 426.605 4.634 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2CC[C@H]1C2 1359339848 SJOZGSGDRPZGNE-HKUYNNGSSA-N 428.602 4.649 30 10 IJEE Cc1nc(SCC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c(C#N)c(C)c1C 1435908031 ALNXVSIIXSOAKK-UHFFFAOYSA-N 435.534 4.874 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)OC1(C)C 1455327510 ODAPERJHZINCRF-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE C#CCN(C(=O)c1cc(Cl)nc(CC)c1)[C@@H]1CCOc2ccc(Br)cc21 1456450473 RLGYDPSREMGEKR-QGZVFWFLSA-N 433.733 4.659 30 10 IJEE C=CCC[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccc(C(F)(F)F)cc1 1458171700 FFJDDXGCAKPHDR-SFHVURJKSA-N 431.458 4.573 30 10 IJEE COc1ccc2c(c1)OC[C@H](NC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)C2 1458540988 HQGXQKUVQMDCBZ-LJQANCHMSA-N 434.879 4.746 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@H]1CCCO1 1458818113 XXVHLNWGIMPJQQ-MJGOQNOKSA-N 442.606 4.642 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)CCCN1C(=O)OC(C)(C)C 1459523586 PKTSHWWWBJMKOJ-SANMLTNESA-N 449.551 4.797 30 10 IJEE C#CCN(CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)Cc1ccccc1 1460069734 IGNRHYPZERSNII-UHFFFAOYSA-N 429.589 4.691 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1463914092 WYTBOTSTXPPKQS-INIZCTEOSA-N 439.478 4.551 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC2)cc1 1465762783 AUZYZKKDDWECCY-UHFFFAOYSA-N 441.466 4.715 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1469307488 MLZMSHHJYYZAKD-QGZVFWFLSA-N 438.881 4.730 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N[C@@H](c3c[nH]c4cccc(F)c34)C(F)(F)F)C2=O)cc1 1473579335 BTGVXTSNVBRINU-QUCCMNQESA-N 430.405 4.567 30 10 IJEE C#CC1CCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)CC1 1473580945 BXBJDPKPMBWSCQ-UHFFFAOYSA-N 433.552 4.828 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 1477913753 VOSVBNSRYCWWRX-HXUWFJFHSA-N 444.373 4.800 30 10 IJEE COC1(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@@H](C)CC#N)CCC1 1504039177 HIFFBBJKNCIGCZ-IRXDYDNUSA-N 431.968 4.769 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cscc1C(F)(F)F 1507535942 KHHQZBOIIRPNMP-GFCCVEGCSA-N 440.441 4.734 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1507749354 USNFDUYBZYZBOO-GOSISDBHSA-N 426.630 4.613 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC=C(C(C)(C)C)CC1 1507750187 LKEVCPHTDBMCHZ-UHFFFAOYSA-N 433.625 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC)c(OC)c1Cl 1507818348 MLVNIWLXEJYTCW-LJQANCHMSA-N 448.995 4.835 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)C1 1507847703 JAVLISMLCVYWKN-UHFFFAOYSA-N 434.531 4.593 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(C)(C)COC)CC1 1507878648 NIDPOWATPYAYTR-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1 1507930917 LUQVOVVHZYLBFS-UHFFFAOYSA-N 446.555 4.822 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1507953622 HRZVHNBVFXBWHK-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1507957406 YNQDIOWDZHMSDS-UHFFFAOYSA-N 442.951 4.552 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC(C)(C)C)CC1 1507960143 LHSPIEWGOHEYJN-UHFFFAOYSA-N 432.996 4.975 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)c1ccccc1 1508066578 BZELSDIVEGPOOR-QUCCMNQESA-N 425.577 4.776 30 10 IJEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCc2ccc(Cl)s2)c1 1511185012 HYJDREAFXKCLAR-MRXNPFEDSA-N 429.977 4.719 30 10 IJEE CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1)N(C)C 1513293960 BVNFLALDKCBNNI-QHCPKHFHSA-N 440.611 4.504 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1515660871 HSYVQEVLMLNHPW-RUZDIDTESA-N 433.556 4.561 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)C1 1516636083 GROLSWCJEQRVQH-CTNGQTDRSA-N 443.542 4.895 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1OC 1521175345 QQPDEIUQIFIJFF-XYOKQWHBSA-N 435.442 4.873 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc2c(c1)OCCO2 1522212791 UFVGBAJFQDDEIJ-USTRSKKPSA-N 437.536 4.615 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC 1524983686 VPWSNXQOZHZCRD-NVXWUHKLSA-N 432.314 4.773 30 10 IJEE C=CCOc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 1526632042 IUOVTPBGSMAPPW-PGRDOPGGSA-N 440.540 4.689 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 1527931498 GEKXOBCLRHVNCJ-RCZVLFRGSA-N 438.543 4.739 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1 1528006750 UZYLNAZNPNVCMF-UHFFFAOYSA-N 433.302 4.617 30 10 IJEE C#CCN(C(=O)CCOc1cccc(C)c1C)[C@@H]1CCOc2ccc(Br)cc21 1531554865 YKJLZOFIIWOSCD-HXUWFJFHSA-N 442.353 4.820 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)s1 1533808533 IRWHYIVRHCICTI-UHFFFAOYSA-N 432.354 4.717 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C2CCOCC2)C1 1539094497 QNMSUTWQRUJUBC-GGAORHGYSA-N 436.600 4.701 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1539498479 WYBXFSLERVQLJU-AZUAARDMSA-N 434.613 4.717 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOC(C)(C)C 1539500500 YLHRFCIUEAALRW-KRWDZBQOSA-N 446.686 4.749 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccccc2)C1 1539602960 FMDXMTJAJIEXER-SFHVURJKSA-N 429.387 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1539620562 LZMVEVJASFMSMJ-LMNJBCLMSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1539624515 TWFHTHKNPIGPMC-HLIPFELVSA-N 430.980 4.583 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1539702042 YFMSOFLAKZZSRE-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@](C)(CC)C1 1539729474 JDJWPYLPRGPESO-JPYJTQIMSA-N 448.995 4.670 30 10 IJEE CC(C)COc1ccc([C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1539752818 AHPYBWVDWRLSKL-APWZRJJASA-N 440.927 4.904 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1539794176 UIAMFDPLHWUXCZ-FQEVSTJZSA-N 440.979 4.667 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1C1CCC1 1539947375 LFJINICNOHWDID-OAQYLSRUSA-N 442.007 4.987 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539988961 LDPQDKVPFSJRSH-SFHVURJKSA-N 429.565 4.506 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1occc1C 1540140077 IPDFGNZUVPVVAX-HSZRJFAPSA-N 442.585 4.523 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1cccs1 1540857597 HHRCHFDEITZCFN-DLBZAZTESA-N 431.606 4.838 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1540913748 RTWSDFLPYIGVRV-IBGZPJMESA-N 436.629 4.922 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCC(F)(F)C1 1541187022 DMESWJBVUJCQJW-AZUAARDMSA-N 443.542 4.752 30 10 IJEE CC(F)(F)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@](C)(C#N)C1 1541894824 CSLPWCSURINGDF-IBGZPJMESA-N 425.430 4.722 30 10 IJEE CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CCC)CC1 1546986655 FMXPIQNXIIKPOU-FYYLOGMGSA-N 448.615 4.653 30 10 IJEE C#C[C@H](C)NC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 1556310487 ZARHBZJRXCUKDJ-INIZCTEOSA-N 428.463 4.938 30 10 IJEE CCCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCCCC1 1559496143 FDNKCQDVGUMCNC-OAQYLSRUSA-N 440.632 4.648 30 10 IJEE CC(C)N(CC(=O)NCc1ccc(COc2ccccc2)cc1)Cc1ccc(C#N)cc1 1559506902 HLGUHJLTTCZNIJ-UHFFFAOYSA-N 427.548 4.664 30 10 IJEE CCCN(CCN1CCCCCC1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1559877654 GAOFGTCLUQTZCG-UHFFFAOYSA-N 449.643 4.551 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC[C@H](CC)Cc1cccc(Br)c1 1562441643 JIJFLSLPZOOXMI-OAHLLOKOSA-N 433.321 4.991 30 10 IJEE C#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC)c1ccc(Br)cc1 1583566403 VATSEAAHCPQWJN-QGZVFWFLSA-N 433.327 4.964 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 1585301311 JRLSFRIZCGRXSJ-LJQANCHMSA-N 440.499 4.660 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC[C@@H](OCC)C1CCCC1 1587603369 KXDJGDJQFOQKOU-AUSIDOKSSA-N 431.584 4.937 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[C@H]1CC 1589164442 USCXGLZQUQKYIR-VWKPWSFCSA-N 430.394 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(CC)C1 1589506580 YHJGNYGSWDNIQZ-WPWBMXPQSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1593703651 LTSWYHDABSZOBC-PMACEKPBSA-N 445.007 4.834 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCC(F)(F)F)CC1 1594083984 ZZPQFBKOVKPXNU-UHFFFAOYSA-N 443.473 4.794 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCO[C@H]2CCCC[C@H]2C)CC1 1594134687 UPAZUTNTBULPAB-RTWAWAEBSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1594492197 UVSCHCQUPZIIOY-UHFFFAOYSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCc1cccc(C)n1 1595094063 LUBYJYLXCFXXTQ-XMMPIXPASA-N 442.567 4.530 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)C1 1595208827 CBMNDEGSUPBUNU-UQBPGWFLSA-N 445.563 4.702 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCSC(CC)(CC)C2)cc1 1595639935 OSKZBJWXMNGADL-UHFFFAOYSA-N 426.630 4.956 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccccc1OCc1ccc(Br)cc1)C(=O)OC 1596243839 JNTQIJWIJKYPMN-LJQANCHMSA-N 446.341 4.656 30 10 IJEE C=C(C)CN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)Cc1ccccc1 1617693994 MDVCIVGBQPRVRU-XMMPIXPASA-N 426.004 4.671 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 1620838036 BNGNZYHZUPHMHW-UHFFFAOYSA-N 433.270 4.540 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc(F)c2C#N)c1 1621804246 GFWFAIJVPSHCPE-UHFFFAOYSA-N 425.872 4.618 30 10 IJEE C=CCCc1ccc(S(=O)(=O)Oc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 1621950141 ITJXSMOOXGWBEH-UHFFFAOYSA-N 443.565 4.866 30 10 IJEE C=CCCCS(=O)(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1621965172 RJFYRRIRAADQHG-LJQANCHMSA-N 431.451 4.850 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)CCCSc1ccc(Br)cc1)C(=O)OCC 1624251799 KIFYWABAMRKKNX-OAHLLOKOSA-N 434.783 4.512 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc3nc(Cc4ccc(OC)cc4)[nH]c3c2)cc1 1625080299 WNHDGCYPJLKVBW-UHFFFAOYSA-N 425.488 4.817 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)cc2n1 1626676297 WLYUHYMSZYIBNM-NRFANRHFSA-N 439.357 4.760 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)c(F)cc1N)c1ccc2c(c1)OCCO2 1627421148 JFYIFPVYFFWWIE-UHFFFAOYSA-N 448.494 4.899 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc(Br)c(I)c1)c1ccccc1 1627884599 LBELREKMIOTBEJ-CYBMUJFWSA-N 442.094 4.962 30 10 IJEE Cc1c(Br)ccc2[nH]c(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc12 1628600501 GSBDQBWYAQSCOS-UHFFFAOYSA-N 438.325 4.794 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3Cl)n[nH]2)c1C 1630011086 HFIUXWJWHUIFCL-UHFFFAOYSA-N 439.825 4.880 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 1641983394 LTGRQIYBUJTVMI-INIZCTEOSA-N 433.348 4.752 30 10 IJEE C=CC[C@H](C(=O)N1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1)c1ccccc1 1642778920 CYECQVHRVMOYFD-XPWALMASSA-N 442.600 4.657 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 1649400444 MELZURUGZAXAPQ-UHFFFAOYSA-N 425.532 4.638 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CC=C)CCCCC3 1651548763 OTJIICDFESVUBD-MRXNPFEDSA-N 443.638 4.594 30 10 IJEE C=CCn1c(SCc2ncccc2Br)nc2sc3c(c2c1=O)CCC3 1651629675 YVUWQLASHBKDAB-UHFFFAOYSA-N 434.384 4.583 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCOC[C@H]2c2noc(-c3ccccc3)n2)cc1OC 1652179208 LQHFEEAQYXWIEZ-IBGZPJMESA-N 441.915 4.537 30 10 IJEE Cc1oc(NC(=O)[C@@H](C)N(C)CCOc2ccc(OCc3ccccc3)cc2)c(C#N)c1C 1652483802 CWWLUASWGBUFDO-LJQANCHMSA-N 447.535 4.685 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2ccc(C)s2)c2ccc(CC)cc2)c1 1652748560 WGZBGURHISBFSA-UHFFFAOYSA-N 431.561 4.955 30 10 IJEE C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)[C@H]1CNC(=O)OC(C)(C)C 1655297527 WMUTUQPTJVZCDQ-DOMZBBRYSA-N 426.330 4.589 30 10 IJEE C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)nc2ccccc21 1656004606 GNNIITVBOBMGLY-UHFFFAOYSA-N 441.578 4.680 30 10 IJEE Cc1cc(CN(C)S(=O)(=O)c2cc(C#N)ccc2Cl)cc(C)c1OCC(F)(F)F 1661521026 DLCSNOPFLFBKTQ-UHFFFAOYSA-N 446.878 4.590 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1cc(OC)cc(OC)c1 1662574076 VLBQBYINFSIMAS-UHFFFAOYSA-N 435.318 4.695 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 1665839068 FVEXEEWWRKPJLN-KXBFYZLASA-N 433.430 4.670 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C)c1ccccc1 1667274311 BJIFSVKTSRAAFD-NRFANRHFSA-N 427.570 4.655 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1668985713 DBBQNDJUVDXJDU-MRXNPFEDSA-N 441.503 4.745 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)on3)CC2)c(Cl)c1 1670777946 GKYHKWFXFMYORG-UHFFFAOYSA-N 442.306 4.874 30 10 IJEE C=CCCSCCNC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 1674228178 MBMOWGUFMHHZIS-IBGZPJMESA-N 437.650 4.507 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)cc1 1676973701 ZKHGAJPSUPXLQN-UHFFFAOYSA-N 430.504 4.608 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(OCCCN(C)C)CC1)c1ccc(C(F)(F)F)cc1 1680633327 MNNXSDVWGSWOIS-OAQYLSRUSA-N 441.538 4.855 30 10 IJEE C=CCCC1(CNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)CCCC1 1683984727 ICZJGBQFQZFABM-RTWAWAEBSA-N 449.636 4.617 30 10 IJEE C=CCC[C@H](NC(=O)NCCCNC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 1685816904 BVSJIKTUJQEAAC-KRWDZBQOSA-N 439.503 4.894 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(F)c(F)c1 1686173190 DHOMKBYNTXNXES-BHIYHBOVSA-N 426.385 4.816 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSC[C@H]1C 1690163830 SDMPKPVAADHROS-CYBMUJFWSA-N 427.426 4.560 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccccc1OC 1690317138 SUVITBDXBWBMOB-NRFANRHFSA-N 438.597 4.873 30 10 IJEE CSc1ccc(F)cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1698376731 DKULVLLDTQGPKC-XFQXTVEOSA-N 445.608 4.844 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1(COC)CCC1 1705502137 CILDOXJTAVTLIJ-HXUWFJFHSA-N 438.616 4.819 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1705607244 WQVMITXYWUVNPD-DLBZAZTESA-N 436.478 4.715 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705687329 ASZVEVGEGOVPIJ-IPELMVKDSA-N 445.405 4.801 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1cccc(C)c1 1705799668 CQQBIQVDNAXRDX-NRFANRHFSA-N 430.556 4.932 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1705857362 DJRFOBHSLSPGKD-QFIPXVFZSA-N 434.632 4.760 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1705913199 HJEXKZZUYODZRL-GOSISDBHSA-N 444.988 4.746 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@@H](CCC)OC)C1 1705919966 NOFSRDKOYWHFDT-MISYRCLQSA-N 444.645 4.728 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@@H]1C 1705940709 NFBTVTCDQINYJI-HKUYNNGSSA-N 432.659 4.896 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(C)(C)C2CC2)c1 1707333145 GMKBGHKPSRENND-DEOSSOPVSA-N 425.552 4.742 30 10 IJEE CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1708696450 HXGRKNAWTJYQFO-RCZVLFRGSA-N 440.611 4.504 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1722319808 PPYOCKKQJVSQLO-RBBKRZOGSA-N 438.547 4.562 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)N(CC)CC 1722407131 ZKDTUIAQZDEUAB-HXUWFJFHSA-N 425.964 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CSc2ccccc21 1722502305 TUUNGUSKRIYDFN-CYFREDJKSA-N 442.629 4.611 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1722595382 NZMUBFONDUSDRQ-NRFANRHFSA-N 434.588 4.524 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 1722605082 UXASZMZEMIZBTG-UHFFFAOYSA-N 425.596 4.819 30 10 IJEE C=CCCCn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722622537 JZOLZZOBDRSUPM-OTWHNJEPSA-N 449.665 4.593 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1722627885 SIQFNUMQVHNPBF-YADARESESA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCN1CCCC[C@H]1CC 1722658095 ABANJDGTVTYTMY-JOCHJYFZSA-N 448.590 4.936 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](COCC)C1 1722734799 JFBJHYKRJHOAAZ-ZWKOTPCHSA-N 446.686 4.913 30 10 IJEE C=CCSCCn1c(N2CC[C@@H](C)N(Cc3ccccc3)CC2)nnc1C(C)(C)C 1722739125 GGUSXILLHPSSFK-HXUWFJFHSA-N 427.662 4.596 30 10 IJEE COc1ccccc1[C@@H](Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)CC#N)N1CCCC1 1730257330 DGSHUEIIUVITDA-SIKLNZKXSA-N 436.604 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1740535371 QBHMGPLKDGLYQW-OBJYKIKGSA-N 442.991 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCc1nc(C(C)(C)C)cs1 1740555755 BTYULVHVVKSCRY-GOSISDBHSA-N 437.613 4.620 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1740575398 RHKLBDCHBPPSOV-HXUWFJFHSA-N 439.585 4.518 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C1CCC1 1740578320 HEIRFXRZDZSYIY-SFTDATJTSA-N 441.620 4.923 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1740596983 HRFVHCZWUVYGCL-JOCHJYFZSA-N 431.005 4.644 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1ccc(OC(C)(C)C)nc1 1740652294 WYCGOCHEZRHUIR-UHFFFAOYSA-N 447.970 4.682 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)[C@@H](C)CC 1740663219 CRLVQDZHRVTZAL-PXNSSMCTSA-N 437.613 4.898 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCCOC(C)C 1740728492 XKNZRFNRTRGKGJ-HSZRJFAPSA-N 430.980 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nnc(C)s1 1740769294 JWRCKKOOLLYSIO-AWEZNQCLSA-N 428.631 4.742 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@](C)(OC)C1 1740779313 ADUAZFRSNWGNAX-LJQANCHMSA-N 439.785 4.942 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)C)C1 1740788423 SMWJUQRCCWVPFZ-GHTZIAJQSA-N 448.995 4.525 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740844425 ZGGALRJETHEENE-YADHBBJMSA-N 435.616 4.623 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cscn1 1740867131 YNWQVOSICXWJJS-SFHVURJKSA-N 446.621 4.799 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740883706 CTGBNISGHXKGRK-GJZGRUSLSA-N 439.423 4.844 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CCCS1 1740916014 AQALUJPRWUKVKP-XUZZJYLKSA-N 437.613 4.870 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)C(C)C 1740922521 JZKWYSCRZLIMHQ-SFHVURJKSA-N 431.993 4.919 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)Cc1csc(CC)n1 1740968408 ATUWQNZWMYLPQV-UHFFFAOYSA-N 448.596 4.552 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1741801614 BSYNBZOIVSYXID-NNFUDEMPSA-N 449.477 4.823 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1748654563 KGWUCWDXMZUSFD-NQIIRXRSSA-N 439.604 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1748685000 SLFRHRTYXZQRIE-HFMPRLQTSA-N 438.616 4.773 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCc1cc(Br)ccc1F 1748931067 JXWUPJCZAWIGMC-UHFFFAOYSA-N 447.377 4.534 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1749109287 GUDRCNXCAUWQJA-IAGOWNOFSA-N 433.394 4.865 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(OC)C2CC2)CC1 1749331293 XAGJRJXJGXQCRH-HSZRJFAPSA-N 432.515 4.764 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1749345408 HEBNOKNCFDCHBN-HOYKHHGWSA-N 442.677 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1749360206 VIQBJCLQITWLFL-UHFFFAOYSA-N 442.489 4.919 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1749412698 PIDNTOOHAOWOFG-NBGIEHNGSA-N 440.588 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1coc(-c2ccccc2)n1 1749579948 ZFHMSESBLCCYCF-UHFFFAOYSA-N 432.553 4.516 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CCC1CC1 1749747002 RXENNGSEEOVPTL-UHFFFAOYSA-N 427.437 4.925 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS[C@H](CC)C1 1749760033 AEOOTYVTBPJFOC-LJQANCHMSA-N 427.643 4.532 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(F)F)C1 1749761238 YQXAEUPZTGDCNG-SFHVURJKSA-N 431.556 4.682 30 10 IJEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1nccs1 1751121198 AVEPWEGYOIQKOC-PBHICJAKSA-N 446.502 4.856 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C#N 1751363537 DZUVHEKGHXUJQC-LLVKDONJSA-N 436.404 4.783 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H](c1ccco1)N(C)C 1760241907 NZAPRMQLGOXMTK-QFIPXVFZSA-N 435.547 4.611 30 10 IJEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cc(C)cs1 1760283823 AOLJEDCZHKRICE-UHFFFAOYSA-N 435.622 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCN1CC 1760297832 JYDVRVCNGZRHDZ-AUSIDOKSSA-N 444.048 4.700 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1 1760323260 CDXHXNBIMUERAM-RCZVLFRGSA-N 449.599 4.585 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccc(O)cc2)CC1 1760370694 ALJUXRDYXNKFIH-UHFFFAOYSA-N 430.339 4.836 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760371411 YQAYHTCPIIXXLO-HALDLXJZSA-N 437.769 4.703 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCOC(C)C)CC1 1760393707 WTVRCXRNMDWKRP-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1760432604 KQAHCTJHJBYPSL-TZIWHRDSSA-N 427.568 4.588 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1cscc1C 1760477938 PDCUWXKCCILNCH-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1C 1760485583 JJLXNLMTOAQVCI-NQIIRXRSSA-N 433.581 4.743 30 10 IJEE CC(C)c1nc(CCn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)cs1 1760692329 DLDPRCMKEGDAQT-KRWDZBQOSA-N 445.596 4.912 30 10 IJEE Cc1cccnc1Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1762148758 AGIFUFVPGZQRCU-UHFFFAOYSA-N 426.568 4.784 30 10 IJEE CCC[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1763870324 HMCISZKQOAYJRG-CYFREDJKSA-N 434.544 4.545 30 10 IJEE CCCCC(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 1860088754 FFJHDMPUNIOPPL-HNNXBMFYSA-N 425.554 4.891 30 10 IJEE COc1ccc(C(=O)N2CC=C(c3ccc(OC(=O)c4cccc(C#N)c4)cc3)CC2)cc1 1860670192 JWDMKHRNDVFEFO-UHFFFAOYSA-N 438.483 4.716 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1 1862411830 PWOSIKOBRCJEJN-DYHNYNMBSA-N 427.447 4.827 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)C)cc1 1862415104 PFZFYHHIXNBRKG-NRFANRHFSA-N 429.463 4.703 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862430656 OWHGTHXYEMBOQY-FQEVSTJZSA-N 439.920 4.928 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C(C)C)c1 1862461371 DDFLVJDHCRGKHE-HXUWFJFHSA-N 433.426 4.879 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1O 1862480449 HFNUYVCMJPCPIV-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc2cc[nH]c2c1 1862526600 HXVRLSWMFLCFML-GOSISDBHSA-N 425.282 4.529 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2F)cc1 1862560380 HQRHMRCQENGWDO-JOCHJYFZSA-N 434.442 4.634 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862596544 IOSCWXMMTIMJRA-HSZRJFAPSA-N 429.472 4.569 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 1862616278 SVUGAHQGBPHUAW-HSZRJFAPSA-N 443.547 4.849 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862676860 SRADOTCWFFYYFR-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862677859 KSFGZQRQPFFXFL-QFIPXVFZSA-N 439.527 4.864 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccco2)c1 1862706917 JGUNSLPDGRIEKJ-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862719241 LLNYLQLVGHHXBQ-HXUWFJFHSA-N 436.851 5.000 30 10 IJEE CCCCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccccc2)cc1 1862731207 OQDAUMVYZIUAEK-QHCPKHFHSA-N 437.536 4.606 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1C 1863260248 HIHONBFRACHMNP-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCOC(C)C)C1=O 1863689948 CZLXYHFDCPJDRB-UHFFFAOYSA-N 444.616 4.929 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(C2CC2)C1=O 1863714200 ORCSCKRSFLEAMW-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccc[nH]1 1864914556 GMJNKAMWHFHFPA-FQEVSTJZSA-N 441.620 4.652 30 10 IJEE Cc1ccc([C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 1866956102 UHKUZNLDZYQKKR-FTJBHMTQSA-N 439.559 4.973 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2C)c(=O)cc1CN(CC)CCCC 1870724758 HRRRMICUVFKGSQ-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CNc2cccc(Br)c2)cc1=O 1870811202 NWZJIZOAOYUIOQ-UHFFFAOYSA-N 435.362 4.603 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1871004541 KWLVHYJZCIVXQD-UHFFFAOYSA-N 442.437 4.728 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871367119 ZEMVENGWDHUUHH-UCQKPKSFSA-N 430.456 4.994 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3C2=O)c1 1871373384 CRQZNEJMNMMYAM-UUYOSTAYSA-N 431.400 4.747 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N(CC)CCO)n1 1871584891 FAFHLTBWYJMPTQ-UHFFFAOYSA-N 442.652 4.971 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 1872472982 KRKSFCBLCBKFNS-HSZRJFAPSA-N 428.598 4.932 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872518878 ZAYCQQWSMBVRAK-FQEVSTJZSA-N 444.597 4.523 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1cccc(C(F)(F)F)c1 1872796402 YMYTYAQSJJSTAK-UHFFFAOYSA-N 427.451 4.644 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NC[C@H]3CCCO3)ncnc21 1873612205 JLVOOOGXWHSAHJ-HXUWFJFHSA-N 433.556 4.803 30 10 IJEE CC(=O)N1[C@@H](c2ccccc2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)Nc1ccccc1C#N 1873868815 RZGTXQQTENCLDZ-RSXGOPAZSA-N 434.499 4.541 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(O)c(O)c1 1874231163 WAMPIWUQFSIVCF-SSDVNMTOSA-N 432.933 4.614 30 10 IJEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)c(O)c1 1874269564 CMLQBPBWFBOIDR-AFUMVMLFSA-N 430.533 4.984 30 10 IJEE CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cc(OC)ccc1OC 1874283234 WWOCYASDOLFJMG-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(O)cc1 1874427214 WWOFEVDGTAILJT-MFKUBSTISA-N 443.532 4.572 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccccc1C 1874442751 KDQXAVBRTJKVDY-JAMLUQCHSA-N 449.580 4.613 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)ccc1O 1874458180 ACTNVJGNWDAZCH-BHGWPJFGSA-N 436.459 4.884 30 10 IJEE CCCOc1c(Br)cc(/C=N/n2c(SCC)nnc2C(C)C)cc1OC 1874513022 CKPCBOVLBATVHE-RGVLZGJSSA-N 441.395 4.956 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2-c2ccco2)ccc1OCc1ccc(F)cc1 1874559776 NSHHGTQQHVKWHJ-ZMOGYAJESA-N 438.484 4.826 30 10 IJEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1 1874658248 AFYUFKSMQXHLJP-DEOSSOPVSA-N 434.584 4.657 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(COc3ccccc3OCC)nnc2s1 1874771038 BNVYNJUHQIZODR-UHFFFAOYSA-N 445.589 4.530 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)COc3ccccc3)c(OC)c2)c1 1875102433 HINUEMQVKIZJLS-OUKQBFOZSA-N 448.471 4.593 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875117162 AZJYSFGGBLBFIA-WUXMJOGZSA-N 448.387 4.627 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(C)cc1 1875147654 DXPYPJAYJWGFSR-BJMVGYQFSA-N 430.456 4.890 30 10 IJEE C#C[C@@H](C)N1C(=O)NC(=N)[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875686964 NMYXUHPYYNQXJJ-KBMIEXCESA-N 439.515 4.910 30 10 IJEE C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc4ncc(-c5ccncc5)cc4cc3C2)c1 1890760570 QFDVDCZHLHOQDE-BXKMTCNYSA-N 433.515 4.606 30 10 IJEE N#CC1(c2ccc(C(=O)N3CCC[C@H](COc4ncccc4C(F)(F)F)C3)cc2)CC1 1890991717 KDOLRKLBIPPTBS-INIZCTEOSA-N 429.442 4.587 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(CNC(=O)OC(C)(C)C)cn1 1922115597 ITZYMIPPAIIRNM-HSZRJFAPSA-N 425.573 4.920 30 10 IJEE CC(C)[C@@H](C#N)SCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1928795489 XTTBXHGJLWUIQW-FCHUYYIVSA-N 438.549 4.650 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 2159121593 WLKUCNPLSNBZBR-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE Cc1ccc(CN2CCCN(Cc3ccccc3)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 2193719145 HDGYJWBBHYXPFI-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2235717658 BTDWWDSKPWLHQB-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235725340 WOHHMJUBYUBSKE-IEBWSBKVSA-N 435.406 4.816 30 10 IJEE C=CCC1([C@H](C#Cc2ccccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 2235726939 JMORHFINDALUCC-IBGZPJMESA-N 433.390 4.592 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2ccccc2Br)C2(CCCC2)C1 2235733114 TXIKPWVEWJMVIZ-IEBWSBKVSA-N 433.390 4.555 30 10 IJEE CCc1ccc(C#C[C@@H](O)c2cc(I)ccc2Br)cc1 2239622603 OLPUKHZZAKQGKW-QGZVFWFLSA-N 441.106 4.701 30 10 IJEE C=C([C@@H](NC)[C@@](C)(O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2266556218 FHRYFGLYAPVPTM-YPMHNXCESA-N 427.278 4.502 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CC(F)(F)F)C(=O)C#Cc1cccc(Br)c1 2278733483 UXXNBRGTRWLOHG-KRWDZBQOSA-N 434.252 4.606 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](N)C#Cc1cccc(Br)c1)C1CCCCC1 2296219771 RGNYQYJYAXLXRE-WOJBJXKFSA-N 435.406 4.992 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ccccc1I 2296251990 TVOZWFTVOMCWCY-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC12CCC(CC1)N2C(=O)OC(C)(C)C 2296304794 LHVITVYQZAECOF-FLPIEVNYSA-N 433.390 4.711 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2296309197 ROPASAZZTPIBRQ-IEBWSBKVSA-N 433.390 4.568 30 10 IJEE O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 2296602865 BBCJBBAQVGIPAG-UHFFFAOYSA-N 449.304 4.812 30 10 IJEE CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O 2296867407 NDICEPJIQFLKIE-UHFFFAOYSA-N 446.297 4.915 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(Cl)cc2)cc1 2297741832 UWHFKUQQWALXBX-GOSISDBHSA-N 440.908 4.822 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)ccc2O1 2297742375 JBVYEZXSXVCQOM-FPTDNZKUSA-N 449.890 4.878 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC(=O)c3ccccc3F)cc2)cc(OC)c1OC 2314429230 BLUGRGVOAUQBHU-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE Cc1ccc(COc2ccc(C=C3SC(=Nc4ccccc4C(N)=O)NC3=O)cc2)cc1 2314557323 XYHTXSMWKWWICL-UHFFFAOYSA-N 443.528 4.565 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 2321143044 NXDYOSOLOIXEOZ-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2321193347 CQJOYKMTRDSFRI-KRWDZBQOSA-N 435.597 4.736 30 10 IJEE CC(C)[C@@H]1C[C@H](Oc2cc(Br)cnc2C#N)CN1C(=O)OCc1ccccc1 2321357637 PYAXOCUSVVLWPS-HKUYNNGSSA-N 444.329 4.530 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCc1nc(O)c2ccccc2n1 2322485586 LWODUVOPYXCNAF-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccccc1 2323022143 BSJQNLMNENIFGB-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCOc1cc(C=NNc2nc(C)c(C)c(O)n2)ccc1OCc1cccc(Cl)c1 2323240199 LZKOHEBNEARSIU-UHFFFAOYSA-N 426.904 4.876 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OC 2323672035 RJNKCUOWCWUWTC-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)NCc1ccccc1 2323777625 MRYGPMAHMFCKOJ-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(OCC)c(OC)c1 2323900596 JZCAAEDAOIQFMZ-OAQYLSRUSA-N 430.589 4.575 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 2325722981 GAUUBPRNVBFJEA-NGYIFUPDSA-N 443.584 4.520 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1c(F)cccc1Cl 2327888424 VLLBTHWCFCDBFG-CYBMUJFWSA-N 437.972 4.569 30 10 IJEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cn(C)c2ccccc12 2328568588 QKALGSDHEYWVHO-UHFFFAOYSA-N 431.565 4.920 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc2ccccc12 2329029853 DIDGFTVHLOIBFS-HXUWFJFHSA-N 433.581 4.706 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(C)C)cc1 2329108375 BNCIFLPIXJAEPK-UHFFFAOYSA-N 442.972 4.793 30 10 IJEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccccn1 2329309968 CBSIFKNIVWHEFO-UHFFFAOYSA-N 429.549 4.873 30 10 IJEE COCCc1nnc(SCc2ccccc2Cl)n1N=Cc1c[nH]c2ccccc12 2331286892 WORCELLYCIAQOD-UHFFFAOYSA-N 425.945 4.776 30 10 IJEE CCCOc1ccccc1C=Nn1c(CCC)nnc1SCc1ccc(C(=O)OC)o1 2331649020 OMVCSILAXGSCTF-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339544061 ANPJUOCJJFNMEF-DEOSSOPVSA-N 445.413 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2339589423 XFQQGDGTHIJKBA-GUDVDZBRSA-N 441.381 4.536 30 10 IJEE C=C[C@@]1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339601202 VUIMPTBQVWJNKG-XMMPIXPASA-N 442.365 4.671 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 2358670782 BETUETVVGJZKCF-BWPNAZKDSA-N 433.390 4.567 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2360194609 PIDPRPWORZVJDB-HQRMLTQVSA-N 435.406 4.672 30 10 IJEE COc1ccccc1/C=C/C=C1/Oc2cc(OCC(=O)OCc3ccccc3)ccc2C1=O 2158063 LACAKMQUQHNQLP-ZHBAQDKBSA-N 442.467 4.990 30 10 IJEE C=CCOc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OCC 2844816 WDCVHAJLQWVLCZ-LICLKQGHSA-N 428.828 4.556 30 10 IJEE Cc1cc(C)cc(NC(=S)/N=C(/NCCc2ccccc2)Nc2nc(C)cc(C)n2)c1 14156942 NZLOPICGFYCOKT-UHFFFAOYSA-N 432.597 4.707 30 10 IJEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)ccc1O 21241465 JEUOUKNXYABYJQ-UYAOXDASSA-N 435.520 4.582 30 10 IJEE Cc1ccc(-c2nc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)cs2)cc1 22302264 WGSYJLGIAKQPOG-GJZGRUSLSA-N 428.583 4.821 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c(OC)c1 34955423 VSCRORQYYVAEMP-PTNGSMBKSA-N 448.471 4.836 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)C(=O)N=C2O)cc1OC 59861691 VTNXYGJHGDENLJ-XMHGGMMESA-N 428.444 4.920 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCC(=O)NC1CCCCC1 97006878 VXHDBVKZZRWYCK-UHFFFAOYSA-N 434.993 4.628 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(Cl)c1 100194486 LGFNAXPOWFWZRL-YQMDHOPXSA-N 431.945 4.637 30 10 IJEE CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/c1ccc(Cl)c(Cl)c1 101591403 BZDAXNYSRSFCJQ-CYNURGJPSA-N 426.300 4.723 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1Cl 102497565 PWWSPIRJHVYJMB-RKKARLDVSA-N 448.906 4.756 30 10 IJEE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=N\O)/C(=N/O)C(C)(C)C2 103664882 PSWLNRWXDKVISH-ZNOTYJSJSA-N 434.340 4.809 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2OC)cc1C 169942856 CGUIQTDEZHAYCR-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc(C)c2)cc1 169968829 IOIHDMIETJVOLU-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)cc1 169982331 YWGODLZTTQSBNR-QFIPXVFZSA-N 446.528 4.532 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1ccccn1 169993835 HNYFLKVRNLQMGN-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 170002028 YTWZFEIGKUTQSL-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)c1 170054926 FBRVJBUBOYEVFK-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1c[nH]c2ccccc12)c1ccc(F)cc1 170074842 VLUAWZATQCIWPU-JOCHJYFZSA-N 428.419 4.796 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1OC(C)C 170150512 IMALHVXVHQAYBN-XMMPIXPASA-N 445.515 4.852 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c(OC)c1 170159546 SMKBQEDUVCTNMO-NRFANRHFSA-N 435.501 4.857 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1C(C)C 170207994 KLXFARVZUCFOCZ-QHCPKHFHSA-N 446.503 4.894 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(OCCC)c1 170323398 MBKLZZMZNKIBHR-QFIPXVFZSA-N 437.492 4.583 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 170365522 OBJQYLZYECBQNT-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC)c2)c1 170409488 XUMFZAQROGNCGB-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 170473874 XYSRKOCLENCDJU-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE CC1(C)CCCN(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)[C@@H]1C#N 434012640 PUOFZOKTBQMDDH-GOSISDBHSA-N 427.574 4.676 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3c3ncnc4ccccc34)cc2)c1 442495114 ZURPVNCXKPNMKL-DEOSSOPVSA-N 435.487 4.901 30 10 IJEE C=CCn1c(SCc2nsc(N(C)C)n2)nc2scc(-c3ccccc3)c2c1=O 492127782 HJVDRTVAGZASGS-UHFFFAOYSA-N 441.607 4.521 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl 520599873 OZFXEJUGPURLJD-UHFFFAOYSA-N 444.919 4.949 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cccc(C#N)c2)[C@@H]1c1ccc(O)cc1 526519424 ACPXDKIYRICEFN-HSZRJFAPSA-N 442.471 4.728 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 531869726 MNKHLTDWAYYUBZ-FQEVSTJZSA-N 434.536 4.721 30 10 IJEE COCCOc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 543212738 BPVXVHULUYVOGY-ZEQRLZLVSA-N 442.515 4.905 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 549666146 LQJRPOZBFKVMLA-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 558993999 APIFONYEJBBVJH-NTKDMRAZSA-N 427.552 4.893 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(c2nc(C)no2)CC1 581830885 MSAJDZHDKITJAK-UHFFFAOYSA-N 432.450 4.615 30 10 IJEE O=C(N[C@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1cccc(Cl)c1 585827242 WUVBJVHGMOMMRW-HQYALJTLSA-N 437.754 4.780 30 10 IJEE N#CCCCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 586207237 VCQSKYWAZWOEPO-UHFFFAOYSA-N 447.276 4.967 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(Cl)cn1 586259092 VUNRAHPCJXTVPL-UHFFFAOYSA-N 448.331 4.664 30 10 IJEE C[C@@H]1Cc2ccccc2N1C1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 590930032 OHTGAFJQISPBOS-HXUWFJFHSA-N 426.564 4.653 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)cc(C#N)c1 687734891 QAJXWNCKPQENEV-AREMUKBSSA-N 444.462 4.926 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698379594 XVFFWMQEXRJSAT-UUOWRZLLSA-N 429.561 4.963 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2OC)SC1=Nc1ccc(C)c(Cl)c1 725430166 ZDUIMYOZGXIUDM-GOSISDBHSA-N 431.945 4.637 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 727953337 FODQDLOBFLVLMO-HSZRJFAPSA-N 445.563 4.579 30 10 IJEE CC(C)CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1 731308068 LTAJAIWGDBMIFZ-HXUWFJFHSA-N 425.554 4.789 30 10 IJEE O=C(/C=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(C(F)(F)F)nc1O 731562684 GBIRCOQBUWCPGY-CLTKARDFSA-N 427.304 4.907 30 10 IJEE CS(=O)(=O)c1ccc(NN=C(CC(F)(F)F)c2ccc(Br)cc2)cc1 731926160 OQFOPURIYKWUMS-UHFFFAOYSA-N 435.265 4.621 30 10 IJEE Cc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 739594308 ICGBNBCCQZFNCO-UHFFFAOYSA-N 436.449 4.650 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 744838941 FYEPIAQQFRSLBT-QVKFZJNVSA-N 439.899 4.893 30 10 IJEE C#CCN(C(=O)c1cnn([C@@H](C)CC)c1C)[C@@H]1CCOc2ccc(Br)cc21 790636231 ZUMNXWHLSBPFNF-IFXJQAMLSA-N 430.346 4.524 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](c2ccc(C)cc2)C[C@H]1C 809895511 WFFGGHNGHJDYBX-OFNKIYASSA-N 445.567 4.581 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1 916209631 PCNCGHRXVKAECC-GOSISDBHSA-N 431.920 4.934 30 10 IJEE O=C(O)C[C@H](c1cccnc1)c1c(O)ccc2c1O/C(=C/c1c(F)cccc1Cl)C2=O 1081089268 QCHPDXNYVWCQSD-MRGVZLDZSA-N 439.826 4.803 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 1084224919 XEGWGOOYVICVKX-UHFFFAOYSA-N 432.912 4.554 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)c(F)c1 1126564176 GGWKAUNRZBUQOU-UGSOOPFHSA-N 439.796 4.528 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2=O)cc1Cl 1128781192 FRQAXMFZUCIKJB-LLVKDONJSA-N 446.866 4.751 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Oc2cccc(Br)c2)cc1 1130824166 DNYLFWZLEYEPSV-UHFFFAOYSA-N 444.325 4.659 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1134728138 DZFNAJXBEYLONN-CYBMUJFWSA-N 443.267 4.619 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1141708670 PWDZMZMWRMAVSC-REWPJTCUSA-N 433.017 4.846 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3oc(CCOC)nc3c2)cc1OC 1177933219 PBFUOXNFAFNOAW-UHFFFAOYSA-N 447.329 4.965 30 10 IJEE Cc1ccnc(-n2nc(C)cc2NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 1204317378 GPHODGOGGUFZRJ-UHFFFAOYSA-N 428.521 4.806 30 10 IJEE CSc1ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1Br 1207759953 GEABPXCZOSIHFW-UHFFFAOYSA-N 445.386 4.833 30 10 IJEE Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)cc1 1215243857 DIPJBRZTLNVDHA-GOSISDBHSA-N 436.581 4.673 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 1215312843 CCYFCXCDVOBYCA-SFHVURJKSA-N 443.469 4.903 30 10 IJEE C=CCC[C@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1223910387 GDRDPYIFKUFSHR-FQEVSTJZSA-N 433.474 4.671 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)[C@H]1CCCO1 1226724938 PQCOUQVJHTVTOR-RTBURBONSA-N 437.298 4.905 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 1264834395 BJBFUQIOZGDHGN-UHFFFAOYSA-N 448.526 4.674 30 10 IJEE C#C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(Cl)cc1F 1275497672 HCEQGRYHXDXBHD-NRFANRHFSA-N 447.897 4.899 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286316696 LHPPSZLMBGWMOV-QFBILLFUSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(Cc1cccs1)C(C)C 1286317571 HGRYORKYNZLEIW-UHFFFAOYSA-N 436.581 4.996 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCOCC2(CC2)C1 1286319162 WKFRIXLHXVXWSS-UHFFFAOYSA-N 436.600 4.790 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H](C)c1c(C)noc1C 1286456670 SMIZNGARTAYKOT-KRWDZBQOSA-N 444.514 4.528 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cc(Br)c[nH]1 1286635030 HYLGHEDWGOPTFS-UHFFFAOYSA-N 436.745 4.528 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCCC[C@H]2C)CC1 1286638326 YTDBYWIQRBLQOA-NHCUHLMSSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1286655213 OUWORAKOPJTDHJ-HXUWFJFHSA-N 430.600 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286667610 LPPSQOAMJRJZOD-SFHVURJKSA-N 443.592 4.800 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1286677973 NCGQPEORKVTGHA-WSTZPKSXSA-N 445.558 4.504 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1286694146 MEWVCMMWKXUXBQ-KRWDZBQOSA-N 425.499 4.523 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(OCC(F)(F)F)c1 1286714219 MBLWEBQURGHJIP-IBGZPJMESA-N 445.489 4.827 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)c1 1292038791 KTZCNABPNUKILU-UHFFFAOYSA-N 442.924 4.958 30 10 IJEE CC[C@H](Cc1ccccc1Br)NC(=O)CCCC(=O)Nc1ccccc1C#N 1294931166 BONYGCUNPCHULE-GOSISDBHSA-N 442.357 4.567 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C#N)CC1 1296468902 FNPHRRWCXXZUAD-UHFFFAOYSA-N 439.604 4.710 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1300366959 UECYBRRXPGTBCK-FQEVSTJZSA-N 445.405 4.621 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](COC)C1 1300383680 FALJXWKOBPLOFO-RBUKOAKNSA-N 430.980 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(CC)C1 1300888734 LUTYCUWQUXTWCV-NGYIFUPDSA-N 445.007 4.509 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1301135651 MXRHXYHNYNGTQL-AABGKKOBSA-N 438.563 4.620 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1301187269 UCBXECRJIIXEJG-LJQANCHMSA-N 431.968 4.604 30 10 IJEE C=CCN(c1nnc(CCOc2ccccc2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1301330297 WIHAVTUEQJTGBN-UHFFFAOYSA-N 443.473 4.517 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1301357248 LIOJCFURODMGPA-UHFFFAOYSA-N 449.668 4.929 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1SC 1301605922 DBCGGXCYRROWSI-UHFFFAOYSA-N 425.627 4.926 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301614957 BNMJIHNOPMETKR-FQEVSTJZSA-N 444.645 4.581 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1301615230 IBNMHULBRYJLBZ-WMZHIEFXSA-N 449.624 4.779 30 10 IJEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1306340274 BBORNWOTTTVRKY-HKUYNNGSSA-N 429.515 4.791 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(C(C)C)ccc1Cl)c1ccc(Br)cc1 1309530200 CGCKGJLMODMRRJ-KRWDZBQOSA-N 426.763 4.879 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(Br)cc1C(F)(F)F 1310374134 IEIAMFSUXSYFLX-UHFFFAOYSA-N 445.210 4.941 30 10 IJEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCCCC2)C1)C(C)C 1315197225 HSGMBSVRNUAERH-NRFANRHFSA-N 439.629 4.744 30 10 IJEE COc1ccc(O[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1315518627 FCLHMGFAIPBUSD-KBMIEXCESA-N 437.588 4.617 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CC[C@H]1CCO[C@H](C)C1 1315660236 BRXOOJMJKNFWAN-QRVBRYPASA-N 443.617 4.523 30 10 IJEE N#Cc1ccc(F)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 1354971054 CJIYWTJTOSLXBR-UHFFFAOYSA-N 430.386 4.887 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1355276362 NOHUMCLERDNQJW-HSZRJFAPSA-N 435.515 4.849 30 10 IJEE CCc1nc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)nn1-c1ccccc1F 1357487040 AYRHVXLYWZFSAH-UHFFFAOYSA-N 427.439 4.885 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)s2)c(C(=O)OCC)c1C 1357816652 IATSYNYTGROFFY-VQHVLOKHSA-N 439.942 4.943 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1359006821 KCFLQBPTCQULGN-CVDCTZTESA-N 433.600 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CCC(C)C 1359092404 APENSJPSFJPLHK-GOTSBHOMSA-N 432.572 4.564 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F 1359093484 OGMOZOOMUKYCPM-GOEBONIOSA-N 446.420 4.526 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359156780 PRIGOJJLOKHXTR-FHLIZLRMSA-N 439.412 4.838 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1359163937 YIRZIGXLQLTWDB-OAQYLSRUSA-N 430.600 4.934 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1359168127 ISLGHXFEGPCTDD-GGAORHGYSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(OC)C2CC2)CC1 1359176119 MYJQBEAHPYBVDS-HSZRJFAPSA-N 430.980 4.825 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1nncn1C 1359220016 LPIJFLBTGYMKTC-NRFANRHFSA-N 449.603 4.591 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1359228154 VGEKYRVOOQUVEY-QFIPXVFZSA-N 445.007 4.510 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CCOC)CCCCC1 1359237786 MWFRAPYUSIYDDT-UHFFFAOYSA-N 434.588 4.740 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1359248982 JTSMKFJLCINRAW-WOJBJXKFSA-N 432.616 4.728 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@]2(CCSC2)C1 1359289010 UMIAWRSCTLKBDD-QFIPXVFZSA-N 433.021 4.771 30 10 IJEE C#CCN(C(=O)c1cccc(F)c1SC)[C@H]1CCOc2ccc(Br)cc21 1360310350 FXJSTJAYBWAHJH-KRWDZBQOSA-N 434.330 4.909 30 10 IJEE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1436067719 FJZOQHFNTANBNA-IBGZPJMESA-N 445.950 4.995 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(C)nc(-c3ccccc3)n2)nnc1-c1ccco1 1436106403 DFFXSVZLBVZLAC-UHFFFAOYSA-N 446.536 4.610 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(Br)c(C)ccc3[nH]2)cc1 1440892415 IMCCTGRVKOFWDR-UHFFFAOYSA-N 427.302 4.799 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 1443262307 HXFBLTUQOBKQPY-SFHVURJKSA-N 443.513 4.879 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(Cc3ccccc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1454823394 UPZXXDNSFAPNRV-VWLOTQADSA-N 445.003 4.914 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccc(C(F)(F)F)cc1 1458176059 QMTFRQSWRLOJQO-LJQANCHMSA-N 432.421 4.922 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)nc2ccccc21 1458759631 PYROBNOAZHFISW-HSZRJFAPSA-N 437.565 4.599 30 10 IJEE C=CCC[C@H](NCCS(=O)(=O)c1cccc(OC)c1)c1ccc(C(F)(F)F)cc1 1459825669 MWPXYMNPXRJDOM-FQEVSTJZSA-N 427.488 4.785 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1c(Br)cc(C)cc1Br 1460486014 DKHZWTNQUWSULO-BETUJISGSA-N 428.168 4.642 30 10 IJEE CCc1cc(Br)c(C)nc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 1461521671 DNQWXTHBQDQUPR-UHFFFAOYSA-N 438.329 4.744 30 10 IJEE C#CC[C@]1(C(=O)NCCc2nc(C3CCCCC3)cs2)CCCN1C(=O)OC(C)(C)C 1464848135 KTVHLVNIDCIKCT-XMMPIXPASA-N 445.629 4.643 30 10 IJEE C#CCOc1ccc(NC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc1 1465628531 NDIJHUPXKCZLQL-UHFFFAOYSA-N 432.499 4.640 30 10 IJEE N#Cc1cccc([C@@H](O)CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 1473295194 CWTUKSQQAJTOFH-UIOOFZCWSA-N 431.967 4.652 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(Cl)c2c(c1)OCCCO2 1473917732 NQTPXGKAJKPVFI-UHFFFAOYSA-N 436.733 4.566 30 10 IJEE C=CCC1(NS(=O)(=O)c2cc(Br)cc(Br)c2)CCCCC1 1475300009 SRFGHDTUBDANEX-UHFFFAOYSA-N 437.197 4.769 30 10 IJEE Cc1ccc(C2(CNS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CCCC2)c(C)c1 1475343657 DHLMOWMVPRNBNP-UHFFFAOYSA-N 436.499 4.984 30 10 IJEE CC1CCC2(CC1)OC[C@H](CNC(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)O2 1476213427 BVWOUGWEBVKALD-CBRQFWLQSA-N 439.487 4.933 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)Cc1ccc(OC)c(OC)c1 1495561769 HYLPSLWDZGTLSY-WYEJZRMESA-N 439.604 4.818 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCCS1 1498080408 AIBRWARGPKMCFD-HYBUGGRVSA-N 439.629 4.835 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(C)CC1 1501280075 CJDNWTXTVWWPKO-UHFFFAOYSA-N 430.556 4.675 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cn2ccc(C)cc2n1 1507516816 MXMVYXTWKXFBCL-QZTJIDSGSA-N 448.958 4.534 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC[C@H](C)C1 1507518063 KLIQZUCVNHKDOZ-LEWJYISDSA-N 444.627 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCSC1(C)C 1507519673 JELWHPMCTOBJJN-ZBFHGGJFSA-N 433.419 4.697 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1507524121 UTHIBKHROUKMEE-XKGZKEIXSA-N 445.405 4.535 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1C(F)(F)C12CCC2 1507687826 QRMJPMQYYKWBHL-INIZCTEOSA-N 435.316 4.603 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C)=C(Br)C1 1507798279 NMSZQIZZPHKZJX-QFBILLFUSA-N 437.426 4.727 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OC(F)(F)F)CC1 1507905927 ZVLFNLOSNXOZOA-IBGZPJMESA-N 436.478 4.869 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N2CCC(C)CC2)CC1 1507909389 DEVILBLEHDJHMU-HXUWFJFHSA-N 441.595 4.519 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1507933047 FDVRTDJVADWHFR-NRFANRHFSA-N 437.975 4.931 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCC(F)(F)C1 1507971862 WHKIZWVRDMZHRZ-CQSZACIVSA-N 442.352 4.884 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(OC)CCCCC1 1507972532 IJTFHUBZPPHHDQ-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)Nc1ccccc1 1507973312 ZJTJWQDWMMQLOW-QGZVFWFLSA-N 435.597 4.782 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H](C)C1 1508008699 QJXWYBKWYKXSMQ-KNKQGSTJSA-N 428.552 4.667 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508050913 CZNMSKSEVXYCOX-LEWJYISDSA-N 439.604 4.842 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@H]2CCCCO2)C1 1508118841 XMTNHRPDVBEEOM-MOPGFXCFSA-N 448.970 4.868 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)c1c(C)noc1C 1513216062 CLBSQIQUYBYRJP-LZBHBKQYSA-N 436.535 4.671 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1OC 1523876680 AQDXYSSBDJNULT-YPJOJRFLSA-N 434.580 4.690 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)C1 1524878552 BIBSGIHDTPGXBZ-YADHBBJMSA-N 425.573 4.519 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[C@H](C)C2)c1 1525000481 HVLAVIWSAWEFAA-ROUUACIJSA-N 447.000 4.887 30 10 IJEE C=CCN(C(=O)c1ccc2c(c1)NC(=O)C2(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1530618370 CTZACTWTHCWJEZ-UHFFFAOYSA-N 448.504 4.781 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 1532324926 LTPJCRBKYXPCQW-PWHSHALESA-N 438.593 4.691 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1ccccc1 1534344311 QFQQMSBFTLNOGK-FGZHOGPDSA-N 437.609 4.762 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCC1(F)F 1538984370 HHGFZKMWRFMCFX-GDBMZVCRSA-N 437.332 4.991 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(NC(C)C)CC1 1539096202 UBDSHJLRNLFTNP-UHFFFAOYSA-N 448.640 4.757 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C)c(OC)c1 1539245588 IMNHBPFZYGQQNJ-UHFFFAOYSA-N 444.604 4.714 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3ccc4scnc4c3s2)CCCN1C(=O)OC(C)(C)C 1539276387 NEWSZCWJTSREHW-OAQYLSRUSA-N 442.566 4.638 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCCC(F)(F)C1 1539401013 PLOWIBDXVZHHNE-QGZVFWFLSA-N 436.934 4.900 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 1539504684 LKSSIKGKAFGPEN-AWEZNQCLSA-N 439.412 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC1CC(OC(C)(C)C)C1 1539548760 VJEKHNXGZLBFLY-UYSSGXRJSA-N 431.584 4.793 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1539631536 MAAJLEICBOGIFX-GZHDQSLTSA-N 446.542 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC(F)(F)c1ccccc1 1539674071 HQQQCPIYPNMDFY-UHFFFAOYSA-N 436.510 4.711 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1539694719 KSOLXMKNYICOTB-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N(CC)CC)CC1 1539828320 HUYVBEGNSIVMKE-MOPGFXCFSA-N 432.012 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCCC2(C)C)CC1 1539835657 HLMVAWZQIODWJM-HSZRJFAPSA-N 432.515 4.644 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1539960857 HUEZRRBIKZHVJP-INIZCTEOSA-N 433.482 4.686 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCCC)CC1 1539976633 BAQUSNWHQMYXJH-QFIPXVFZSA-N 439.604 4.899 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)c1cccs1 1540161592 GULKJVKPHSHIPL-UHFFFAOYSA-N 436.581 4.934 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1547304981 DABMTUHAQZFFPW-YJMBLLCNSA-N 437.588 4.730 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC3(CCCCCC3)[C@@H]2c2ccccc2)c1 1561838348 WQODERSCUAFNPR-QHCPKHFHSA-N 438.593 4.689 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 1565301828 DKFQGXPOIWXXPR-UHFFFAOYSA-N 436.394 4.802 30 10 IJEE C=C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1ccccc1 1586194630 LQSQKAFWNZBZJY-XMMPIXPASA-N 433.529 4.912 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)c(F)c1 1586583678 AQKVLKXKJRKWEM-LJQANCHMSA-N 425.504 4.554 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@H](C(C)C)C1 1587793692 QYBLVEURSCGGKD-NRFANRHFSA-N 444.670 4.960 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1Cc1cccs1 1589042495 DGELPKPDLHLETA-SFHVURJKSA-N 438.622 4.593 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CSCCS2)CC1 1594035459 JCKAWTMOUHKWGX-KRWDZBQOSA-N 438.569 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1594504583 XUCRUHGQJCJCBE-GHTZIAJQSA-N 437.613 4.894 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2sccc2[C@H]1CC 1594661565 VGRYNKHXSQXCJH-DSKINZAPSA-N 430.618 4.934 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(OC)CCCCC1 1594914233 YFYZAVBEFWIWHM-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1Cc1cccnc1OC 1595148870 ANKOIRSYMRKSAA-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@H]1C(=C)C 1595233971 BEUXNVKGVABLBO-VWNXMTODSA-N 429.568 4.556 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1595343271 ISQMPHUIVAVMIV-YOEHRIQHSA-N 442.188 4.914 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)c1cccs1 1611297280 AMUZTBRXSOFDRP-GOSISDBHSA-N 445.596 4.908 30 10 IJEE C=CCN1CC[C@H](Sc2nnc(-c3ccc(N(CC)CC)cc3)n2-c2ccccc2)C1=O 1613367951 VLNHYKIHJXIJJK-QFIPXVFZSA-N 447.608 4.660 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(NCc2cccs2)s1 1614999645 OMFILSADQHCEAI-CYBMUJFWSA-N 436.653 4.969 30 10 IJEE C=CCC[C@@H](C(=O)Nc1nnc2n(Cc3cccc(OC)c3)[nH]c(C)c1-2)c1ccccc1 1629655713 WUDCNHPCQXHXNF-OAQYLSRUSA-N 429.524 4.765 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)CC1 1631213838 PRCGQRFCFWEZKJ-JOCHJYFZSA-N 434.609 4.920 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C)c1ccccc1 1632272086 SCZUMGKTZRTZMU-RUZDIDTESA-N 448.588 4.911 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CC)Oc1cccc(Cl)c1 1635404201 UOCDEXSEKWVKJR-RDJZCZTQSA-N 431.360 4.650 30 10 IJEE C=CCNc1ncc(C(=O)N2C[C@@H](CCC(=O)OC(C)(C)C)Cc3ccccc32)s1 1638324268 LLNAHTFTASASBA-INIZCTEOSA-N 427.570 4.682 30 10 IJEE C=CCn1c(S[C@H](CCc2ccccc2)C(=O)OCC)nnc1-c1ccc(F)cc1 1640689230 GAVRGAPJOIUMFF-HXUWFJFHSA-N 425.529 4.927 30 10 IJEE C=CCC1(NCc2nc(O)c3cc(Br)cc(Br)c3n2)CCCC1 1647775262 ZVYODNWWXAWQKS-UHFFFAOYSA-N 441.167 4.839 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)cc1OC 1648199021 QJGYPYDUHQEQMU-LSZOVADRSA-N 446.591 4.644 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN=S2(=O)CCCC2)c1 1650692513 GJOVQHFTYDELLR-FQEVSTJZSA-N 449.617 4.637 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1NC[C@@H](CO)Cc1ccc(Br)cc1 1650962679 CBJWVXXAUTUMJF-AWEZNQCLSA-N 430.733 4.785 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-c3cnn(C)c3)c(C)n2)cc1OC 1656296526 NATPESCFKWXSCD-UHFFFAOYSA-N 443.345 4.739 30 10 IJEE Cc1c(C#N)c(NC(=O)CSCc2ccc3c(c2)OCO3)n(-c2ccc(F)cc2)c1C 1656485137 GKDIVZOPSDSHNY-UHFFFAOYSA-N 437.496 4.706 30 10 IJEE Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)NCCn1cnc(C#N)n1 1657718251 GLHZSTBXNBNJNB-UHFFFAOYSA-N 445.310 4.687 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCc4c3ccc(F)c4Br)cc21 1664933787 YHRBWAVISYWBHQ-QGZVFWFLSA-N 429.293 4.933 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 1667057223 AIDDPXRUHXYDQN-QGZVFWFLSA-N 436.508 4.725 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1668174614 IJMXDNMFJLUBBQ-UHFFFAOYSA-N 445.397 4.641 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 1670716909 XLFMKUDEPMVJDA-PMACEKPBSA-N 430.335 4.871 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c(Cl)c1 1675169521 QLOVYCAPDKKGNV-UHFFFAOYSA-N 435.955 4.756 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(Oc4ccccc4)cn3)CC2)c1 1676250658 GRHQALZUDWQBJD-UHFFFAOYSA-N 427.508 4.532 30 10 IJEE N#Cc1cc(NC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)ccc1OC(F)(F)F 1676977360 CIOCEJJSESYTKH-OAHLLOKOSA-N 438.381 4.831 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C 1679243374 GCYMIROQJVGXNL-MIZPHKNDSA-N 448.563 4.964 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](CC)Oc1cccc(Cl)c1)c1ccc(Br)cc1 1679947893 XWXBWEFGNRSFFM-MJGOQNOKSA-N 435.749 4.934 30 10 IJEE C=CCOc1ccc(CNC(=O)NCC2(c3ccccc3Br)CCC2)cc1 1682442840 OTNKXKHYVKHTAX-UHFFFAOYSA-N 429.358 4.935 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1683502826 WBSISCDIBVPGPB-OAQYLSRUSA-N 445.991 4.835 30 10 IJEE N#CC1(CNC(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)CCOCC1 1685740681 BSCQOGCWABFYSL-UHFFFAOYSA-N 436.383 4.909 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CCN(CCC)CC1 1689835119 GOGJKGXBYICKNT-MOPGFXCFSA-N 439.673 4.711 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN1C1CCCCC1 1689840432 ZHJPPQIBHPENRW-PXNSSMCTSA-N 443.998 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)CCSC 1690248635 OXUJXEXHKSCSCI-WPYKKVEZSA-N 428.646 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(CN2CCCCC2)cc1 1690268561 POFZGOGJISTWDM-UHFFFAOYSA-N 444.627 4.701 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C2CC2)N(C)C)CC1 1690398703 FDIXPHDFIRYRPB-VGOFRKELSA-N 444.023 4.814 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2csc(C)c2)CC1 1690402698 MJQJMFYXNNEMLF-UHFFFAOYSA-N 432.391 4.856 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)CC1 1690499814 AZWIAWYPUDTARE-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690531999 FQXOZOXPHUXIGG-INIZCTEOSA-N 437.613 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(C)C 1690569006 AXGZSGUSUHIQFQ-GMAHTHKFSA-N 435.547 4.733 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](SC)C(C)(C)C 1705719519 BFYFWYVJPJQQEJ-FQEVSTJZSA-N 427.618 4.909 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705758797 DQRQSAHUFHXBGM-IEBWSBKVSA-N 432.996 4.911 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 1705796426 FBDFBHGLMKMLPO-OAQYLSRUSA-N 429.559 4.683 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1CC1(OC)CCC(C)CC1)C1CC1 1705858721 TXJYFJYJBCVJQP-UHFFFAOYSA-N 428.552 4.746 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C 1705860017 MEZZCEIOYFCXQA-FGZHOGPDSA-N 437.588 4.645 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1705867904 XSWXTNURTVPDBW-XJUOHMSHSA-N 439.673 4.974 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(F)(F)Br 1705870558 UFJRTTLRKBLDRY-CYBMUJFWSA-N 445.283 4.723 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)C2(CCC2)C1 1705888438 YJCKTODGSSJRQX-HNNXBMFYSA-N 431.378 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CCCCCC1 1722298548 DTDCTKDCJKQLGR-NRFANRHFSA-N 438.616 4.832 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 1722318278 BSFMYVJHFYHXOW-RTWAWAEBSA-N 443.636 4.678 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C)CC1 1722320097 SNNQQUTUQFRSQU-FQEVSTJZSA-N 443.636 4.823 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS[C@H](CC)C1 1722327556 FVWPFPVBEUPHMW-OAQYLSRUSA-N 436.581 4.862 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1722339204 XYANXIAAMLFQNH-UHFFFAOYSA-N 449.643 4.588 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](c1cccs1)N(C)C 1722344717 AZNFVVHUMOIQEM-FUHWJXTLSA-N 439.654 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(SC)CC1 1722394866 JAQIANKOBBCRSM-UHFFFAOYSA-N 443.620 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC1CCCC1 1722468980 ZKDZTBTUDLYWSR-JOCHJYFZSA-N 443.389 4.899 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=C(C)CC1 1722481463 ZSIZMHGVXSSYFL-QGZVFWFLSA-N 447.377 4.882 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCC(F)(F)F 1722498228 SNMYJZOGYUVDNL-LJQANCHMSA-N 426.870 4.845 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@](C)(CC)C1 1722528374 FPJDLFUARWHGMM-BWKNWUBXSA-N 442.604 4.633 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@H]1CC 1722530556 WRCRROCRYZAZFC-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1csc(CC)n1 1722534756 QYZUOSLAFFSUSH-UHFFFAOYSA-N 436.585 4.674 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1722592797 ZBWMFDYAVDHAIP-FQEVSTJZSA-N 440.563 4.623 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1722595808 VSQZSRKBKLPQHG-BVAGGSTKSA-N 449.599 4.728 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1 1722657773 NYNDDPXIWURDIQ-HXUWFJFHSA-N 437.588 4.920 30 10 IJEE CC(C)(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)C1 1723967718 HPSPHMNHXLPSGV-CYFREDJKSA-N 435.597 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1ncc(C)s1 1740544415 CVSUJJINGGEUDC-KGLIPLIRSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1740570901 KRROBAVZCRAAOL-FQEVSTJZSA-N 444.366 4.961 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1740655266 CMOYCFZWOLWUPT-LOSJGSFVSA-N 430.596 4.875 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1740662891 YPSAAQIZTNNBAF-JBUDQFAYSA-N 442.991 4.736 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1740749872 GSSWJABTPLZJGS-MLGOLLRUSA-N 427.293 4.514 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCC1CC1 1740757629 WQEOKJFMJSYSPY-YLJYHZDGSA-N 445.405 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1740819535 UAXJTZFJMLURHL-IBGZPJMESA-N 445.558 4.823 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cccnc2OCC)CC1 1740825205 UWRCFPOKMVUVBW-SFHVURJKSA-N 437.519 4.556 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1740841728 YJNPVYIYLAQUGO-QGZVFWFLSA-N 448.596 4.700 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC=CCO1 1740922974 ARJGPFXQCBMXAP-KRWDZBQOSA-N 442.535 4.746 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C(CC)CC)N(C)C 1748652300 ZEFQJKIKOJGHQF-OXJNMPFZSA-N 446.437 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCCC1(C)C 1748684080 CCFOGNZFYVRAIN-RXFWQSSRSA-N 438.616 4.688 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1ccc(Cl)s1 1748907466 KSWTXNIWYYYOLP-OAHLLOKOSA-N 432.952 4.974 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC1CC1 1749218044 HNSYPZMTQJVZEE-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCc2ccc(Br)cc2C1 1749376058 PMFJCUUJPMUCJQ-UHFFFAOYSA-N 433.394 4.742 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1749537478 HWPIKNARXMRPQP-NRFANRHFSA-N 439.604 4.680 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2c2cccs2)nnc1[C@]1(OC(C)C)CCOC1 1749764008 PQVBUASIXWLHEY-AVRDEDQJSA-N 448.658 4.641 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCSc1nccs1 1760212931 JPGFTEGHXLGJTK-UHFFFAOYSA-N 447.589 4.793 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1760342957 RAZKRWVFYCOXFO-SFHVURJKSA-N 431.378 4.537 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(OC)CCCC2)CC1 1760385613 YEOGJTMVYROFKJ-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](SC)C(C)(C)C)CC1 1760389915 WRDUFOFJBUMURE-VQTJNVASSA-N 428.602 4.725 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2nc(C)cs2)CC1 1760393077 HFDMWSJAPFZBMC-UHFFFAOYSA-N 427.599 4.549 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760406681 JMLYJNNQPQBBKC-KRWDZBQOSA-N 427.593 4.566 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCS[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760416524 GLGPIEFADVFLFB-OKZBNKHCSA-N 449.665 4.593 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1760466943 OGTZXUAOFAWQFX-SFHVURJKSA-N 432.012 4.643 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC=CCO1)C1CC1 1760475618 ODBLWYKMAMAXHT-KRWDZBQOSA-N 435.355 4.664 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)[C@@H](C)C1CCC1 1760563830 FRJDMWRUIZHNRR-INIZCTEOSA-N 438.601 4.528 30 10 IJEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)COc3ccccc3Cl)cc2)c1 1858902319 BQVKISLDJNHUKE-UHFFFAOYSA-N 435.867 4.518 30 10 IJEE CC(C)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2)cc1 1859132425 CFQPLABNPVDKPY-UHFFFAOYSA-N 433.533 4.664 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC 1860724623 GMYYIMBMYQNLHR-QPJJXVBHSA-N 443.805 4.606 30 10 IJEE N#Cc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(Cl)c1 1860860356 IFLKZGWRDRNVGL-HSZRJFAPSA-N 442.906 4.673 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861073023 ZMJRMRZCFRQDQM-BMRADRMJSA-N 432.605 4.869 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(O)c2)cc1 1862389406 FMHJWMVKXAPAGR-DEOSSOPVSA-N 442.515 4.908 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862411384 GTRFRNQPWLHHDR-NRFANRHFSA-N 439.389 4.588 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862448045 DOUBSKUVHQLXOG-LJQANCHMSA-N 428.872 4.873 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)c1 1862488761 HXBJNYGOIMUHRX-QHCPKHFHSA-N 447.462 4.632 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1Cc1ccccc1 1862604450 DPTJLAHYFAHYBB-DEOSSOPVSA-N 441.483 4.545 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2C)cc1F 1862639479 ZKYJWPCDJZEOIF-XMMPIXPASA-N 445.490 4.964 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1F 1862645382 HFKZMUSDCICXDL-GOSISDBHSA-N 436.266 4.882 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCO)c1 1862719865 PYRBNDVSIKKTAK-XMMPIXPASA-N 445.515 4.589 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(=O)OCC)=C(c2cc(Cl)ccc2Cl)C1=O 1863388672 UZNQGZPHLKUUHJ-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE CC(=O)Nc1cccc(CCC(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)c1 1865993045 HEAYKLGBKULTIO-UHFFFAOYSA-N 425.488 4.627 30 10 IJEE CCCC[C@@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1ccc(C#N)cc1 1866599676 DJKZOMPFJTZGFD-JOCHJYFZSA-N 435.572 4.507 30 10 IJEE CCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867349870 FFJQUFMMSKQLRU-JWQCQUIFSA-N 425.532 4.942 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(F)cc2)n(-c2cccc(Cl)c2)n1 1870000253 IZGRYULQJKFRRF-JLHYYAGUSA-N 437.906 4.890 30 10 IJEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CSc2ccc(C)cc2)cc1=O 1870300671 POODKRDLXJRTBX-QHCPKHFHSA-N 439.964 4.848 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870561059 XPIJRFPENUQKCV-UHFFFAOYSA-N 444.550 4.502 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870837710 UNYXZVHFUPVWID-UHFFFAOYSA-N 444.576 4.670 30 10 IJEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871447482 UYLJAELFXZBWQF-JCMHNJIXSA-N 444.443 4.927 30 10 IJEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 1871448742 YJTREDRKPDOCRS-MYYYXRDXSA-N 432.472 4.950 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872057313 HQALJNYYNLQEFN-LJQANCHMSA-N 432.561 4.653 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872085992 IETRUDAACKNJDB-HTAPYJJXSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872373189 ZLBCEDUTGYXHKM-MAUKXSAKSA-N 434.524 4.677 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872439958 ZQRNQEHTDHNQEV-KUHUBIRLSA-N 441.018 4.940 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873316123 ZGDSWFHRRTYKJQ-UHFFFAOYSA-N 437.490 4.579 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2)cc2c(NCCCOC(C)C)ncnc21 1873628823 USUMTJDRGZLCQQ-UHFFFAOYSA-N 427.936 4.750 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)Cc1ccc(F)c(C)c1 1873685386 OVJBGCRYNJCKHT-UHFFFAOYSA-N 440.540 4.752 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2/N=C/c2cccc(Cl)c2)cc1OC 1874197615 STLVERFYZFFHHT-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874206990 CGAIOIIBWBKNBR-WNFNFYEPSA-N 447.608 4.696 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1c[nH]c2ccccc12 1874237884 VNKYWKHVXAAPHI-VULFUBBASA-N 447.564 4.918 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1F 1874245050 QQRMVHXKSXXQKS-MFKUBSTISA-N 428.577 4.533 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874307894 VIPXUWMBFXHGSB-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE COc1cc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)ccc1O 1874375538 BDJDGGVDKOEPRD-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874380849 NSUPDUAMVUNWSF-FSJBWODESA-N 434.924 4.760 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874411499 WXZVXRISSJOCAN-OEAKJJBVSA-N 434.993 4.982 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C1CCC1 1874493503 PYZGKJCMHFJBCM-MFKUBSTISA-N 449.580 4.946 30 10 IJEE CCCSc1nnc(C2CCC2)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874496357 IAJAVMZGDAASRH-RGVLZGJSSA-N 439.379 4.797 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874510928 BQFIJGKZPNJCTO-HUSFYUSLSA-N 441.988 4.736 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)ccc1O 1874521011 WUCJICZEBYLUTK-UFFVCSGVSA-N 429.889 4.597 30 10 IJEE OCCCSc1nncn1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1874539591 MRBOHMSGNFZYJR-FOKLQQMPSA-N 437.352 4.521 30 10 IJEE CCCNC(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)cc1OC 1874586406 MBIOGUDDDVAHEB-VQHVLOKHSA-N 445.943 4.775 30 10 IJEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)cc1OC 1874587937 MFZSRTYYAHMMMK-SDNWHVSQSA-N 425.525 4.627 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)COCc1ccccc1 1874699857 QCGISULOPKIJNM-YRNVUSSQSA-N 438.426 4.992 30 10 IJEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3F)c2)cc1[N+](=O)[O-] 1874699905 SCPOUFDAHQCDJT-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706242 WZFKDNGUKGDWNB-ZRDIBKRKSA-N 444.483 4.901 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)c1 1875102526 VLBGWPIVWNUYKE-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 1875113320 XRHHOFQHBHCBPL-RUDMXATFSA-N 448.431 4.512 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1875127130 PLPAVBKVGBPUJZ-NTUHNPAUSA-N 431.400 4.635 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccccn1 1875150406 LWHJWONRCLBFGD-FNORWQNLSA-N 437.835 4.588 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]1c1ccc(C#N)cc1 1892144708 DDFWOBYROFIMDY-UXHICEINSA-N 448.375 4.897 30 10 IJEE N#CCCN(CC1CCC1)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1902371545 JUDMIWRSZYNJLU-UHFFFAOYSA-N 443.547 4.600 30 10 IJEE N#Cc1ccc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c(F)c1 1952727220 WSPLSJSGQOSMPP-ATIYNZHBSA-N 442.446 4.536 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 1991908312 BRTHCJWQIIJUFX-HZPDHXFCSA-N 429.508 4.703 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cccc(Br)c1Br 1992885189 OOBMZZYAIGPCGQ-ZDUSSCGKSA-N 447.167 4.793 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1O)c1ccc(Cl)cc1 2033813657 FASOFBCHBWVLCD-IBGZPJMESA-N 425.893 4.886 30 10 IJEE CC[C@H](c1ccc(OC)cc1C)n1nc(C(F)F)c(C#N)c1I 2079936430 QPSGDLQBMOPMOW-CYBMUJFWSA-N 431.224 4.613 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)c(Br)c2)[C@H](C(F)(F)F)C1 2163252808 CYLHBULGWSKLPZ-GXTWGEPZSA-N 448.283 4.778 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1Br 2180956812 IBSSIOAGGPVTLM-ZDUSSCGKSA-N 449.267 4.713 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(Br)cc2C#N)C1(C)C 2181106186 SPQKUBGPSKLEMI-CQSZACIVSA-N 436.350 4.685 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1sccc1I 2227473667 OTXABBJXUAQSFU-CQSZACIVSA-N 446.151 4.818 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](C#N)c1c(F)ccc(Br)c1F 2231246570 QTUOREFRSOOPMQ-SMDDNHRTSA-N 431.277 4.708 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255378644 BVCMAJMADMEKLA-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(Cc2ccccc2)C2(CC2)C1 2262202589 AHUZJEQJFMHYRY-MHZLTWQESA-N 435.564 4.818 30 10 IJEE C=CCCC1([C@H](O)Cc2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266237751 DZKXWFGRDQMRLR-QGZVFWFLSA-N 428.342 4.695 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccccc1Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266704942 BIKYYKGTTAKONT-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2267171690 NXOBPVBDEHUHHC-QZTJIDSGSA-N 442.365 4.632 30 10 IJEE C[C@@H]1[C@@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CC(C)(C)CN1Cc1ccccc1 2267455903 FMFGHIMLQZSVNF-CTNGQTDRSA-N 440.437 4.808 30 10 IJEE N#Cc1cccc(Br)c1N[C@@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2285188766 WMRKPZWCFISSKK-UGKGYDQZSA-N 426.358 4.556 30 10 IJEE C=CC[C@]1(COc2nnc(Br)c(C)c2C)CCCN(C(=O)OC(C)(C)C)C1 2287855496 VKAANNIJNRUKAY-FQEVSTJZSA-N 440.382 4.828 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cc(OC)ccc1Br 2291129233 USNFTYXLXMSEFF-NRFANRHFSA-N 435.314 4.763 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C(=O)C#Cc2cccc(Br)c2)(C(F)(F)F)C1 2296222770 VTWJHPDDUPWPCY-SFHVURJKSA-N 446.263 4.559 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296271967 INFAUTOHAAKEDL-MOPGFXCFSA-N 435.406 4.718 30 10 IJEE C=CCOc1ccc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OC 2297534820 XSUVWHVHGOALLA-UHFFFAOYSA-N 427.547 4.670 30 10 IJEE CC1(C)OB(/C=C/c2ccc(NC3CC(NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2301450159 XTQIYVPTEFEKJQ-OUKQBFOZSA-N 449.360 4.596 30 10 IJEE Clc1ccc(-c2nnc(CSc3n[nH]c(NN=CC=Cc4ccccc4)n3)o2)cc1 2313921996 XUNGEXNRBUSQSD-UHFFFAOYSA-N 437.916 4.912 30 10 IJEE CCCCOc1ccc(C=C2SC(=Nc3ccccc3C(=O)OC)NC2=O)cc1OC 2314557392 BOGQUGMOKPDTNF-UHFFFAOYSA-N 440.521 4.552 30 10 IJEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(Br)cc2)cc1OC 2318571157 DIGUEBPXHVOROX-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE COC(=O)c1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2321184564 HTHCVUALKFIAKR-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)c1 2322659576 VEBOGTZMNOZLII-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc([N+](=O)[O-])cc1 2323674800 BRPOLSPYLIZFES-UHFFFAOYSA-N 427.416 4.719 30 10 IJEE CCCOc1c(Br)cc(C=NNC(=S)NC2CCCCC2)cc1OCC 2323850682 BDUCEDLKGNWCHH-UHFFFAOYSA-N 442.423 4.767 30 10 IJEE CCN1CCN(Cc2c(O)cc(C)c3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)CC1 2324124773 JHGIQMNXAFGUGU-UHFFFAOYSA-N 447.362 4.761 30 10 IJEE CCCNC(=O)COc1c(OC)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2324156537 VJDDKGXATODENM-UHFFFAOYSA-N 425.525 4.628 30 10 IJEE Cc1cc(O)c(CN2CCC[C@H](CO)C2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324209891 HRQOEASOCGAPEG-IBGZPJMESA-N 435.564 4.819 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1OC)C2=O 2324893439 CMZMBEQKUIDZFN-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(O)cc1 2326253964 CQBNFEBNDKHUKD-UHFFFAOYSA-N 438.553 4.554 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccco1 2326628187 KHUVIQCJMAUWCO-UHFFFAOYSA-N 448.548 4.737 30 10 IJEE Cc1ccccc1CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc[nH]1 2327424457 GQDAKAHHKUIBAW-UHFFFAOYSA-N 439.491 4.946 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2327571157 UOGCFBOIXIUJJJ-UHFFFAOYSA-N 444.944 4.688 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc(Br)c1 2328542596 BJUCOFXAPUVKLD-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE CCCOc1ccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCCO)cc1 2329129158 RDOKDAYBFIVSIO-UHFFFAOYSA-N 444.988 4.668 30 10 IJEE CCN(CC)C(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccccc1C 2329381310 XMGPEYIYUUHSTJ-UHFFFAOYSA-N 449.624 4.637 30 10 IJEE Cc1ccccc1C=Nn1c(CCc2cccs2)nnc1SCC(=O)OCC(C)C 2329687088 CPJCTZVEKPWBJV-UHFFFAOYSA-N 442.610 4.607 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(F)cc2)o1 2330667877 AHORXEMGSOXWBI-UHFFFAOYSA-N 436.468 4.638 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(F)(F)F)c1OC 2331115806 HELRUXITGMGXAU-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Br 2331224684 AMKSGTWNDJXHRW-UHFFFAOYSA-N 447.325 4.530 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(c3cc(Br)c(C#N)cc3F)C[C@@H]21 2361355018 SCISEZXFDINUQX-ACJLOTCBSA-N 438.341 4.686 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365053119 JGWIYHAZONCWDO-MDIOPLHYSA-N 445.416 4.970 30 10 IJEE CC1CCC(C#N)(N(C)Cc2ccc(I)c(Br)c2)CC1 2377334332 IVTOWRWMGJCULZ-UHFFFAOYSA-N 447.158 4.958 30 10 IJEE COC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl 1010014 GWAINBVGBLZXSE-DJJJIMSYSA-N 444.314 4.851 30 10 IJEE Cc1cc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c(C)c1 3042818 RVTZUKYKCSEOGY-NFFVHWSESA-N 446.551 4.988 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1 14092557 AGCLLIIOTYUARG-UHFFFAOYSA-N 435.578 4.590 30 10 IJEE CCc1cc[n+](/C(C(=O)c2ccc(Cl)cc2Cl)=C(/S)NC[C@@H]2CCCO2)cc1 22690743 JDXZWJXLOLYEKC-INIZCTEOSA-O 438.400 4.551 30 10 IJEE Cc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n([C@H](C)c4ccccc4)c3O)c(C)c2c1 38623543 CYUZHRZZCXDJPQ-QGZVFWFLSA-N 426.472 4.937 30 10 IJEE C=CCc1ccc(OCCCn2c(CCNC(=O)C(C)C)nc3ccccc32)c(OC)c1 40198278 WFMWLJVIOYIBTB-UHFFFAOYSA-N 435.568 4.557 30 10 IJEE O=C(CC(c1ccccc1)c1ccccc1)NCC#Cc1ccc(N2CCCCC2=O)cc1 96349334 WVKQSONMWCHBEC-UHFFFAOYSA-N 436.555 4.893 30 10 IJEE CCOc1cc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)ccc1OCc1ccccc1Cl 169896420 ZRZFBHIAOSWSSL-MXAYSNPKSA-N 440.931 4.970 30 10 IJEE CC(C)Oc1ccc(/C=N\n2c(S)nnc2COc2ccccc2)cc1Br 169914309 BMHWJOAVNYDSJC-NHDPSOOVSA-N 447.358 4.578 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(O)cc2)cc1C 169960140 CKNFXCPPXDOLLD-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(O)cc2)c1 169960633 PZVMGXAGBOVQJT-QHCPKHFHSA-N 443.455 4.521 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccn2)cc1 169991936 LDFOMMHJXQPIRR-HSZRJFAPSA-N 442.471 4.717 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccncc2)cc1 170015491 ZBHFVTXWGRHRBU-OAQYLSRUSA-N 433.895 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170025080 BGAPCAUTXGCBFA-OAQYLSRUSA-N 436.870 4.695 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 170060839 CBUFLOSSMUSXBJ-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1sccc1C 170107327 PXHZXIJDBXWYAI-GOSISDBHSA-N 432.973 4.630 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)c1 170119272 KOZKEKWMEGJFTD-NRFANRHFSA-N 436.464 4.514 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(C)c2)cc1C 170143594 IVTCFFZSMBPOFB-URXFXBBRSA-N 449.547 4.850 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccs2)c1 170161006 SNJUYYWIIAITLC-OAQYLSRUSA-N 430.485 4.801 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1 170178740 HDWPSJVXVZGVMM-HSZRJFAPSA-N 441.531 4.861 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)c1 170238973 TUOPAPBHUFXXIE-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)c1 170279194 JTWFVIAOWAQZKA-NPMXOYFQSA-N 445.471 4.785 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)cc1 170283442 IRIYPGWFMCXLFO-NPMXOYFQSA-N 429.472 4.948 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)cc1C(C)C 170292268 YSGSZLUFBHOXGY-HSZRJFAPSA-N 446.503 4.894 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1sccc1C 170317257 XVRNCSVCFLPWGT-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1 170464561 PMHXIWXKKBOSDQ-OAQYLSRUSA-N 439.508 4.705 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccc(C(=O)O)cc3s2)[C@H]1c1cccs1 170478017 GPUZRBMLFOCCJK-KRWDZBQOSA-N 442.518 4.571 30 10 IJEE CCOc1c(Br)cc(Br)cc1CNCc1ccc(C#N)cc1F 237002762 HJJQDLRSNJCIBQ-UHFFFAOYSA-N 442.126 4.911 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Cl)ccc1I 406087790 DGYPLYRBMFEOJP-AWEZNQCLSA-N 449.716 4.526 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)o1 442141985 VLEWEFQMAWLCCN-MDZRGWNJSA-N 425.554 4.778 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 465999807 FZBACMMWSXDRRM-GOSISDBHSA-N 428.920 4.615 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2cc3ccccc3n2CC(F)(F)F)CC1 485682810 GNWKSJDZJFDPMD-UHFFFAOYSA-N 442.441 4.590 30 10 IJEE C[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1nc(-c2ccc(Br)cc2)cs1 504420178 UVSVLOISJFDHCU-CYBMUJFWSA-N 433.375 4.969 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 505010498 HTOSVOPVYDDCJP-KRWDZBQOSA-N 447.535 4.651 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 508798551 USMPVDHWUBRHAK-JLHGSKIFSA-N 440.494 4.849 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508988632 VSIJGQKMRKFKKH-HNNXBMFYSA-N 429.977 4.942 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])s2)cc1 526487513 ZYASWXULXHZCEO-HXUWFJFHSA-N 433.445 4.594 30 10 IJEE N#Cc1cccc(-c2nnc(N3CC[C@H](COc4ccccc4)C3)n2Cc2ccccc2)c1 558907263 NREGLAQMMROVAP-QHCPKHFHSA-N 435.531 4.770 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 558996370 BXECUCQVUQMXCC-OAQYLSRUSA-N 428.540 4.543 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 562162006 KLDHPOPGJYKJRJ-UHFFFAOYSA-N 434.418 4.587 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(F)cc2CSC)cc1 581316409 WYYIWTIBRGPUEP-UHFFFAOYSA-N 427.545 4.825 30 10 IJEE C=CCCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(CC)cc1 586132680 SPXJMEPSRUZXAS-UHFFFAOYSA-N 431.598 4.856 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1 586213870 YTUNVLINXZHLRT-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1 609828292 IIAAERJAHBVAQA-IBGZPJMESA-N 437.418 4.699 30 10 IJEE COc1cc(OC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)ccc1C#N 767159188 NEAJIRZSZVITLT-UHFFFAOYSA-N 438.509 4.621 30 10 IJEE COc1cc(C)c(C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC 787048530 BNRNUQAQWDQVRQ-LRDDRELGSA-N 435.307 4.519 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 800631695 JBFJYKSTTNGJBF-QGZVFWFLSA-N 437.540 4.968 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 802603606 UJPHNCHXAUBBCV-UHFFFAOYSA-N 429.565 4.615 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1nc2cc(Br)ccc2s1 803520038 HLNVVMPATAKZIZ-KRWDZBQOSA-N 427.367 4.742 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1OC 1126050821 FZKZXAQXHQCYBV-AWEZNQCLSA-N 426.822 4.978 30 10 IJEE C[C@H](COCC1CCCCC1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1134124344 AJHGMCXIQPNVLT-GOSISDBHSA-N 432.008 4.920 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(I)cc(Br)c2C)cc1 1134904133 LDAJLWFUHSSJHK-UHFFFAOYSA-N 440.078 4.596 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 1140935579 PIWOPGYMFAFBEM-VQTJNVASSA-N 426.561 4.866 30 10 IJEE C#C[C@@H](NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)c1ccc(Cl)cc1 1141799538 LWUCNNUVKUCGIB-HSZRJFAPSA-N 437.971 4.786 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 1156300910 YTFKCBRWZAQOIZ-OAQYLSRUSA-N 426.582 4.902 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1200402812 OBNPMQQFWPHXLL-SIKLNZKXSA-N 441.572 4.732 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-n3ccc(O)n3)cc2)cc1OC 1203319778 BPGJPVWBZXMAEX-UHFFFAOYSA-N 430.302 4.526 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1215091476 DNXQJYVDMGPJOZ-XXBNENTESA-N 425.504 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1215372709 JIYHTJIWZOEFAG-NHYWBVRUSA-N 426.357 4.749 30 10 IJEE C=CCC1(NC(=O)Nc2nc(C)c(Cc3ccc(F)c(F)c3F)s2)CCOCC1 1217968730 LVFBQZGCAIUYDV-UHFFFAOYSA-N 425.476 4.706 30 10 IJEE C#CCN(C(=O)NCCc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCCc2ccccc21 1221651739 QBQOCHKLDPEHBZ-HXUWFJFHSA-N 428.479 4.562 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC1C[C@H](C)O[C@@H](C)C1 1227053891 IFUHBRLMOLSUAO-GJZGRUSLSA-N 427.358 4.880 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC 1251830852 NIYZTRJJBVGRFV-BYXVTNLJSA-N 434.628 4.819 30 10 IJEE C=CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccccc1 1266421539 OYGLJQGKIVTHSV-KRWDZBQOSA-N 436.249 4.637 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1273995187 WMPNXCSHEJANDT-MRXNPFEDSA-N 425.367 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(=O)OC(C)(C)C 1286282653 RNKGVTJJVSEBRE-GOSISDBHSA-N 439.604 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(CCOCC)CCC1 1286291256 UTWPJIRMJMLQLJ-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1286314794 RRRYIYXMSQUAEA-IBGZPJMESA-N 442.007 4.601 30 10 IJEE C#CCCCCn1c(N2CC[C@@H](CC(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286336154 VZRZHHNIPCHGGI-PCCBWWKXSA-N 443.636 4.725 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCN1CCC 1286368066 GCXYOPIGVDQIGI-FQEVSTJZSA-N 437.588 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@H]1CCCC[C@@H]1C 1286436889 ZZCVVDJVBWWUHT-PXNSSMCTSA-N 432.515 4.601 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCCCC1 1286457468 PUQGOSHDSAPACY-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(C)=C(C)C1 1286498617 BHJYVTZWRHUBAP-UHFFFAOYSA-N 440.613 4.655 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cc(Cl)ccc1OC 1286559180 UUUVDDVRCSDVSU-VGOFRKELSA-N 432.996 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286668220 PWPOSNLXRXKQRX-SFHVURJKSA-N 429.996 4.553 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286689598 WDMNMOHWOFNTSG-UHFFFAOYSA-N 430.600 4.564 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286705667 HEYHXTCQMZOPTI-HTAPYJJXSA-N 449.020 4.574 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)Sc1ccccc1 1286716610 IJIQZTVYPUDWGK-OAHLLOKOSA-N 446.418 4.849 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286719814 RMFZVFYZOITOIP-WIYYLYMNSA-N 439.604 4.775 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@H](C)C1 1286742466 ZSPLLGTXIJNNMM-REWPJTCUSA-N 426.568 4.764 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1286775138 FTTAONUDROJIPO-IBGZPJMESA-N 431.378 4.537 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(C)C)C1 1286813483 VUHNTSPBPPHVEW-QFIPXVFZSA-N 426.605 4.982 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@@H](F)C1 1286962696 FNSQSGHGWFVTCQ-MGPQQGTHSA-N 438.320 4.581 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)cn1 1286962733 FZSKSJBMUIUNJN-OAHLLOKOSA-N 442.926 4.564 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCCC1 1287597330 GWIJKMIPYUOYGD-UHFFFAOYSA-N 445.615 4.745 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc(O)c(C#N)cc1C)c1ccc(C)c(C)c1 1293122435 GDKYTQHBESDMEL-UHFFFAOYSA-N 427.504 4.996 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1C#N 1295352235 FSABOYKOSHJMMS-SFHVURJKSA-N 447.278 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300904983 JIDOPHBRZFOUTN-HKUYNNGSSA-N 443.592 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1cccnc1OC 1300907813 RUAAASFURQBUCK-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1301166311 UAPWBCXEHMUZIX-HSALFYBXSA-N 434.506 4.921 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1301239939 YIDZAVDYSBGPBX-QPPBQGQZSA-N 426.630 4.746 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1nnc(C)s1 1301279053 VBNMNBVPASECPD-AWEZNQCLSA-N 428.631 4.546 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 1301518308 ICCIGEGTVQEOTL-NRFANRHFSA-N 435.572 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[C@H](C)C2)C1 1301566114 MQOWRSWDJDMCQR-BBTUJRGHSA-N 430.980 4.728 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCOC2)C1 1301594577 HBSJQEXZFBUQDD-RDPSFJRHSA-N 442.629 4.571 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@](C)(O)c2ccsc2)cc1 1304431177 CNZDLAOLYKMHSF-VGSWGCGISA-N 441.626 4.586 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1314284610 GRQIKCQUVPIRFC-LEWJYISDSA-N 441.645 4.990 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)C1 1314597488 GPXWSMCPEPZQPP-QUCCMNQESA-N 427.643 4.682 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C(=O)OCC 1347920483 SOKLDIBQTQQFAV-UHFFFAOYSA-N 449.528 4.772 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2ccccc2O[C@@H]2CCOC2)cc1 1355151343 BAJLILFIYMPHST-RUZDIDTESA-N 444.506 4.637 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCOc1cccc(C)c1 1358877259 ADZRWQGTXIVVIV-OAHLLOKOSA-N 445.386 4.614 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1cc(C(CC)CC)no1 1358941074 XLLYIRLXGGXCMB-UHFFFAOYSA-N 442.361 4.717 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)C1CCC(C)CC1 1359060100 KGHDRILAMDWSOR-UHFFFAOYSA-N 426.630 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)CCC(C)C 1359069405 LCWQXLSRSMYBSK-FTJBHMTQSA-N 447.583 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCC(F)(F)F 1359184803 AOSKSZGXBZAPAS-UHFFFAOYSA-N 426.483 4.953 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1359187912 BJBMFJZYGPSGIA-OAQYLSRUSA-N 445.652 4.597 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359204396 NNNPGAPWYQBEHL-IBGZPJMESA-N 440.979 4.954 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(CC)[C@H](C)C1 1359219559 VAWIOJZNQSCCLT-OAQYLSRUSA-N 425.621 4.786 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)CN1CCCC1 1359234143 FRQIBDDJIAQEKH-SFHVURJKSA-N 427.662 4.876 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCN1CCC 1359262850 HNIHJLWBTWJOSW-FQEVSTJZSA-N 436.629 4.859 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)C1CCCCC1 1359267987 ZDFPKFHFSNIVEQ-SANMLTNESA-N 446.599 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](C)C1 1359270293 JVSYWGUWXMUOTJ-VQTJNVASSA-N 446.599 4.680 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCC(F)(F)F)C1 1359326391 YZKCUKGBTLBRNC-LJQANCHMSA-N 438.494 4.598 30 10 IJEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 1359519275 DHNDZKPXQPHWLL-RTBURBONSA-N 427.643 4.538 30 10 IJEE C=CC[C@]1(C(=O)N2CCN([C@@H](CC)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1361193460 VNHWUQGAEKYIFB-BKMJKUGQSA-N 441.616 4.628 30 10 IJEE N#Cc1ccc(O[C@H]2CCN(C(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)C2)nc1 1436539782 GXSKNQNGFBLKNP-FQEVSTJZSA-N 443.469 4.854 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1CCC)c1ccc(Br)cc1 1436652164 XDJFKBGLBPWNQE-OAQYLSRUSA-N 436.353 4.751 30 10 IJEE C=CC[C@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1443269918 YIVQBSREHMCYHF-KBMIEXCESA-N 429.605 4.578 30 10 IJEE C#CCCCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1446062293 RBHDZQUUKPCDDF-UHFFFAOYSA-N 426.582 4.627 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1 1455950872 VSDKWZTYGPCZJW-SFTDATJTSA-N 425.532 4.524 30 10 IJEE C#CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@H]1CCOc2ccc(Br)cc21 1456446110 JSNQARYCECUXGP-HNNXBMFYSA-N 440.124 4.750 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1456452438 ZITGSDWSJHTKIZ-SFHVURJKSA-N 434.280 4.835 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1F 1457810810 ROAXXAZKBOYLAI-SGTLLEGYSA-N 436.708 4.941 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(F)(C(F)(F)F)C(F)(F)F 1457937408 ZFNGGXBRNQEXHY-UHFFFAOYSA-N 427.238 4.833 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)C2CCOCC2)nc2cc(-c3ccccc3)sc2c1=O 1458865059 SVRVQMGLGYPXCU-HNNXBMFYSA-N 440.590 4.787 30 10 IJEE C=CCCCCSc1nc(C[C@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1458914435 FXUAORCHLQJNET-OKZBNKHCSA-N 442.629 4.975 30 10 IJEE N#C[C@H](C(=O)CSc1nc(Cc2ccccc2)no1)c1nc(-c2ccccc2)cs1 1459244294 CURMGIKWMMOJTJ-QGZVFWFLSA-N 432.530 4.752 30 10 IJEE C#C[C@@H](NC(=O)c1cc(NC(=O)OCC)ccc1Cl)c1ccc(Br)cc1 1460783967 HAGYTRCWRHMEDL-QGZVFWFLSA-N 435.705 4.775 30 10 IJEE C=CCOc1ccc(CN[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1OC 1461376501 AWEJUCPTZQQDEK-GBXCKJPGSA-N 446.950 4.893 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)c(OC)c1 1461453226 ZNHDMJOSYCROSE-UHFFFAOYSA-N 437.536 4.737 30 10 IJEE C[C@H](CCO)n1c(C(F)(F)F)nc2cc(NC(=O)CSc3ccc(C#N)cc3)ccc21 1468198587 FAECBAAYJROUGU-CYBMUJFWSA-N 448.470 4.601 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]2C2CCC2)c1 1469266320 IXPMIXZALDQFBV-SIKLNZKXSA-N 444.984 4.640 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1470462407 YCLZPGYTSFATPF-JIMJEQGWSA-N 445.513 4.607 30 10 IJEE C=CCn1c(SC[C@@H]2CCCC[C@@H]2C(=O)OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472908036 OOVFLXONYOXTPN-PMPSAXMXSA-N 446.638 4.840 30 10 IJEE C#C[C@H]1COCCN1CC(=O)N(Cc1ccccc1)c1nc2ccc([C@H](C)CC)cc2s1 1473539173 ATLKTWYYVJIYLJ-KNQAVFIVSA-N 447.604 4.677 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1cc2c(cc1OC(F)F)OCO2 1474175494 NWWKDXFKEUOEBE-UHFFFAOYSA-N 428.229 4.956 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F 1474771043 WZEPUGFIBAGBNJ-UHFFFAOYSA-N 431.288 4.846 30 10 IJEE Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 1476496810 GBFMYQAIQMAYCT-QGZVFWFLSA-N 436.409 4.695 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCOc1cc(C)cc(C)c1 1507607315 QFPOABHLAUOEHY-UHFFFAOYSA-N 445.386 4.534 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(CCC)CC1 1507654767 SFVLAIJKLHOIEF-UHFFFAOYSA-N 431.367 4.817 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCc1nccs1 1507795276 HPIDMJQSAXYGGV-FXAWDEMLSA-N 444.004 4.715 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(OC)C1 1507807024 QAUITXWICNFJMO-ONJIFJTESA-N 438.616 4.807 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(C)C)c1ccccc1 1507853890 GKOWDNSSCAOHEL-UHFFFAOYSA-N 428.378 4.852 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1507868937 JJLDIUNCGKEXDV-FQEVSTJZSA-N 428.989 4.823 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)c2)CC1 1507882809 WNDOPMXBPOLSOC-NRFANRHFSA-N 434.588 4.558 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1507933103 GVANUZCOLIWYDO-UHFFFAOYSA-N 431.575 4.814 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 1507933122 HDDVNEZXSSXKTJ-UHFFFAOYSA-N 428.024 4.943 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1507940752 ATSNSQPKBBJHMZ-FQEVSTJZSA-N 428.552 4.605 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1ncc(CC)s1)C1CC1 1507990755 UFNMWDFFCMADJK-UHFFFAOYSA-N 444.402 4.930 30 10 IJEE C=CCn1c(-c2ccccc2F)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1508053197 SOGSIMZKWPOSDI-JWTNVVGKSA-N 441.551 4.637 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCC(CC)(CC)C1 1508108020 HDPOTMXUZPCSMV-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cccc(C#N)c1)N(C)C 1510027628 AVBIGZHLYZTQQR-GOSISDBHSA-N 448.640 4.734 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@](F)(C#N)C2)C1 1512173181 HDHQWZJDLBGIDN-SBUREZEXSA-N 444.986 4.551 30 10 IJEE Cc1cc(C)n(-c2ccc(C(=O)OCc3cc(Br)cc(C#N)c3)cc2F)n1 1519854265 AMZIXHGMFRZEDH-UHFFFAOYSA-N 428.261 4.619 30 10 IJEE CSC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1519905494 DEEIFMINHGGCPY-FQEVSTJZSA-N 433.528 4.572 30 10 IJEE CCOC(=O)c1sc(NC(=O)Cn2c(-c3ccccc3)nc3ccccc32)c(C#N)c1C 1521066863 CLNCUKGHCKSSSN-UHFFFAOYSA-N 444.516 4.760 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 1523655172 BSVZNMUMQDEVGV-AWEZNQCLSA-N 425.451 4.943 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 1526943646 JQHRUNURKPLEQD-UHFFFAOYSA-N 435.442 4.749 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)c2C#N)CC[C@H]1C 1527534195 DGYVQQPBHFEIGY-AGIUHOORSA-N 429.492 4.575 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1OC 1528270749 DRGRYATTZADPKG-YBEGLDIGSA-N 434.536 4.974 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cc2cccnc12)c1ccc(Br)cc1 1528497149 JYMDJCPXULCFSQ-QGZVFWFLSA-N 444.126 4.864 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC)[C@@H]2C)ccc1Cl 1529576382 YSIVQWGCLRNCNE-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE C#CCN(C(=O)[C@@H]1CCc2cc(F)ccc21)[C@@H]1CCOc2ccc(Br)cc21 1529627817 YSZNDTMEYPGBOK-UYAOXDASSA-N 428.301 4.604 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)c3ccccc23)ccc1F 1529915345 BSPYWYQSEBNJKD-CQSZACIVSA-N 446.931 4.588 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)cc1OC 1531626929 YMTHSSKMYUZKLV-XYOKQWHBSA-N 444.487 4.745 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)OCc2cc(Br)ccc2F)o1 1532270303 BMJYIEIUJSFKDQ-UHFFFAOYSA-N 430.229 4.989 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)C(=O)OCC 1535345375 WWYYBCNUQJCNCU-IBGZPJMESA-N 439.895 4.573 30 10 IJEE C=C(C)[C@H](CC(=O)N(c1ccc(OCC)cc1)C1CCN(CC(F)(F)F)CC1)OCC 1537165321 JYRISLRPGWLYEM-NRFANRHFSA-N 442.522 4.816 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(Cc2cccc(F)c2)C2CCC2)nnc1-c1ccco1 1538273178 YOAJVPGKSDDMLR-UHFFFAOYSA-N 440.544 4.927 30 10 IJEE C#CCSc1ccc(COC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1 1538704400 OIIDXFNODNWJIL-UHFFFAOYSA-N 431.492 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCSCC(F)(F)F 1538971041 FHFQCUJOMAXGEJ-KBPBESRZSA-N 446.926 4.825 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1538986887 OYEJTNQAPGPDCS-LLJLJFOGSA-N 444.023 4.576 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCOC1 1539053227 NJWOQQREHWSKDD-JOCHJYFZSA-N 431.584 4.629 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539079354 SIFBGTVQCDBFDV-SANMLTNESA-N 438.616 4.919 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CC(C)C)N(C)C 1539345727 YDQLHWNNLAIUCM-DEOSSOPVSA-N 446.643 4.788 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)c1ccccc1 1539546839 NMPQPJAODSHANP-MHECFPHRSA-N 434.975 4.511 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1539587124 WDSABEPRNYAIGT-IBGZPJMESA-N 445.405 4.548 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=CCC1 1539643209 LMPMICKLFSYEFN-HYBUGGRVSA-N 436.600 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CC)CCOCC1 1539652491 VJALJIHIYBZOCJ-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(OC)CCCCC1 1539652518 WQRFDXUISXADPP-UHFFFAOYSA-N 428.577 4.714 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1539779530 AIURLXZRDXHERJ-RHSMWYFYSA-N 434.968 4.738 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539818103 ZYMQRHWKIBBBKU-NQIIRXRSSA-N 445.007 4.912 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCC(C)CC2)CC1 1539874760 PCBAQVIJUCQDNO-FQEVSTJZSA-N 441.595 4.692 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539988746 CAIUIXKNPYZSDQ-UHFFFAOYSA-N 449.020 4.502 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1CC(c2ccccc2)C1 1540052118 XSHSDFQMDUIQBA-UHFFFAOYSA-N 440.389 4.862 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1Cc1cnc(C)s1)C1CC1 1540101958 PVEDIYVNJWRMGT-UHFFFAOYSA-N 448.365 4.815 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(CCOC)CC(C)C 1540855525 YHIGHVXKMMUQAB-UHFFFAOYSA-N 427.774 4.656 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2CCCC2CCOCC2)cc1 1542502026 BIFYTAHUYDEUQN-LJQANCHMSA-N 427.618 4.824 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)CCc2cccc(Br)c2)cc1OC 1544620678 IINSQWAYNQQNTG-PKNBQFBNSA-N 430.342 4.737 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 1544936858 HFGBGUKRMPMFPY-OALUTQOASA-N 437.540 4.914 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1556313413 XEEXBCFGUBCDJN-LJQANCHMSA-N 441.371 4.848 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncccc1OCc1ccccc1 1556969867 GOLYBGRPMHCADF-KRWDZBQOSA-N 431.920 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(C1)CN(C(=O)c1ccccc1-c1ccccc1C#N)C2 1558139707 AWQMNUUHQRCUMN-UHFFFAOYSA-N 431.536 4.698 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1 1564406829 OXGMPFRLJHQACP-VDGAXYAQSA-N 426.479 4.550 30 10 IJEE C=CCCCNC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1564500408 HCTHPDKIRWTUMR-UHFFFAOYSA-N 433.346 4.802 30 10 IJEE C=C(C)CCNC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1564789232 PZECRAGTFQYDQR-IBGZPJMESA-N 429.561 4.545 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 1565277773 XPSIPTFSMCXPEV-UXHICEINSA-N 439.522 4.916 30 10 IJEE C=CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CCCCC1 1569104038 XQFBODHMOXDWIP-UHFFFAOYSA-N 430.545 4.944 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1587883711 JVWRLFFFTPVUTG-GHTZIAJQSA-N 433.383 4.599 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(Cl)s1 1588181514 VTNIUIZXJPTIMT-INIZCTEOSA-N 442.947 4.783 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn2ccc(C)cc2n1 1589600236 YOZFFGZPXDQZAQ-LJQANCHMSA-N 448.546 4.964 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CC1(O)CCCCC1 1589625454 GRTXWCOAJZQSNF-UHFFFAOYSA-N 433.394 4.805 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](SC)C(C)(C)C 1589669247 OHNZYEGTTXBNII-LJQANCHMSA-N 426.634 4.697 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]2CCC[C@H]21 1593717263 CSQDSXANQXHZDN-FXAWDEMLSA-N 430.980 4.969 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1593900547 NXPNHSYXEAIRMW-HXUWFJFHSA-N 428.989 4.869 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2ccccn2)CC1 1594651474 LRDQTHTWMCEEGA-UHFFFAOYSA-N 446.599 4.552 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCCCC1 1595234147 IFNGHUGMBURDEP-NHCUHLMSSA-N 429.653 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCn1ccnc1C 1595243862 IRPKXMMRBHTEKF-UHFFFAOYSA-N 436.947 4.632 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C)s2)C1 1595688703 MWUNNVKEUPXXDC-SFHVURJKSA-N 446.523 4.746 30 10 IJEE C=CCC[C@@H](NC(=O)/C=C\C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(C(F)(F)F)cc1 1597058228 ODKGIQVWIYPLAM-YAINUAMHSA-N 442.441 4.900 30 10 IJEE Cc1cc(C)cc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)CC#N)c1 1611915779 HUERVTDAUOMCFL-INIZCTEOSA-N 441.377 4.634 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)n1 1612192998 DIKORPKYAZUBFW-RBBKRZOGSA-N 436.604 4.620 30 10 IJEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCC(OC)CC2)CCS1 1614215001 CHBIIAWMSAXFLN-UDJZJCJKSA-N 439.629 4.744 30 10 IJEE CN1CCN(/N=C2\CC[C@@]3(C)[C@H]4CC[C@]5(C)C(C6=CC(=O)OC6)=CC=C5[C@H]4CC[C@@H]3C2)CC1 1614467127 ODDWMTINKZQETM-UCJLXTHRSA-N 449.639 4.572 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1616877843 BIPHQUNVDSOLLY-GOSISDBHSA-N 434.536 4.687 30 10 IJEE C=CC[C@@]1(C(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)CCCN1C(=O)OC(C)(C)C 1617684880 IAVWOUJYVFPJTB-DVECYGJZSA-N 430.593 4.816 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 1620709964 FDSGTGQYADKXIY-IBGZPJMESA-N 432.952 4.773 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 1621024097 JKRRYKYQSFIPBG-ZLGUVYLKSA-N 432.992 4.866 30 10 IJEE C#CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1622115522 DXHJWTRDTLRGKQ-UHFFFAOYSA-N 433.154 4.580 30 10 IJEE C=CCCC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 1625197037 MSJLNGVTODWTSJ-SFTDATJTSA-N 439.943 4.759 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cc21 1627044997 NGMLZCZGCBYTQS-LJQANCHMSA-N 443.334 4.772 30 10 IJEE C=CCC[C@@H](NC(=O)NCC1(S(C)(=O)=O)CCCCC1)c1ccc(C(F)(F)F)cc1 1633470732 HHMXJSHCCFUJIX-GOSISDBHSA-N 446.535 4.759 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C 1633764255 DVEXABXSMRPAET-UHFFFAOYSA-N 434.540 4.647 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(c3ccnc4ccccc34)CC2)CCCN1C(=O)OC(C)(C)C 1635958708 GOWHXNKVKAHBBZ-HHHXNRCGSA-N 447.579 4.734 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 1640482776 CFVALCBPSLWRHI-OAQYLSRUSA-N 432.609 4.842 30 10 IJEE CC(C)Cc1ccc([C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)N(C)C)cc1 1642069103 DGQORLLMXMOFEZ-VWLOTQADSA-N 445.563 4.961 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 1643533584 WKCYWOMGZUKDDW-MRXNPFEDSA-N 434.337 4.935 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)c1 1648812335 BQOYNWLVGMUPNO-UHFFFAOYSA-N 447.922 4.668 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1OC 1653075509 HLCMNLGSSXXYJZ-BWKNWUBXSA-N 426.988 4.867 30 10 IJEE C#CCN(CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)Cc1ccc(F)cc1 1653275069 ZKBGBFHOSMFISY-UHFFFAOYSA-N 447.579 4.830 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nc2sc3c(c2c1=O)CCCC3 1656066817 GXDVVUQGWAYGEK-BZUAXINKSA-N 445.654 4.508 30 10 IJEE C[C@]1(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN(Cc2ccccc2)C1 1658096113 FACOXSSYICDANH-RUZDIDTESA-N 445.592 4.639 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2c(F)cc(Br)cc2F)CC1 1659061316 HSAXXVHOGAYVOT-LJQANCHMSA-N 440.719 4.763 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl 1664578858 MYVUGSKKQFAYQL-UHFFFAOYSA-N 445.903 4.627 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCN(C)C1CCCCC1 1665768362 JGMRRVZCAVALBR-UHFFFAOYSA-N 440.401 4.940 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC2CCC2)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1669681017 CIJDOCKXJBVKSB-UHFFFAOYSA-N 445.535 4.624 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)NCC[C@H](O)C(F)(F)F)cc1 1670991775 DXAZUCBUDBAUBC-INIZCTEOSA-N 429.851 4.798 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccc(F)cc1 1674014602 DBWMPJHREKBVGQ-GCJKJVERSA-N 438.547 4.985 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1cc(C(F)(F)F)ccc1Br 1676021089 ZXKCEQBXIYEPAE-UHFFFAOYSA-N 425.248 4.813 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 1676105435 BVHZXPSUZDGUTF-UHFFFAOYSA-N 442.538 4.751 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 1677639028 LTJUFJMMDFZJGV-UHFFFAOYSA-N 441.369 4.859 30 10 IJEE C#C[C@H](NC(=O)Nc1cnc(-c2ccc(Br)s2)nc1)c1ccc(F)cc1 1678716293 NQKIHRHDNUMSJX-AWEZNQCLSA-N 431.290 4.603 30 10 IJEE N#CCC[C@@H](NC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1680814344 ADWDVVKRQMPLLY-LOSJGSFVSA-N 441.531 4.858 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1690044862 BODOYJSRRWLPCE-ILBGXUMGSA-N 443.639 4.699 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@H]1C(=C)C 1690083963 RPCZLJLEHSKUSD-OFVILXPXSA-N 436.600 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1 1690267286 ZBCOYOSMAPYBMR-QFIPXVFZSA-N 431.005 4.894 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN2CCCC[C@H]2C1 1690292669 LCIYUUTXGHRQQW-NRFANRHFSA-N 444.023 4.502 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)CC1 1690382521 RJCXTICIBQXUBD-NRFANRHFSA-N 435.547 4.987 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690399010 LIMCXGYVBATUQR-FXAWDEMLSA-N 445.405 4.661 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1690415719 VWLIXZDDOYGLMH-HXUWFJFHSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1690424358 MHTGSYLXRTZYDC-WOJBJXKFSA-N 440.588 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@@H]1C 1690580071 YYBPEIINUSPTAD-JTSKRJEESA-N 428.627 4.736 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](CC)Oc2cccc(F)c2)C1 1690697421 VCEUOPJWRUSAEW-UNMCSNQZSA-N 428.552 4.714 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](CC(C)C)C2)ccn1 1698371974 CPKITQSBARJUCH-HXUWFJFHSA-N 432.597 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN(C)CC(F)(F)F 1705484545 QVAFBLLAGLABKY-CYBMUJFWSA-N 448.320 4.594 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccccc1F 1705519042 WRKXDSZUGBKZNA-IBGZPJMESA-N 430.531 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)CCOc1ccccc1Cl 1705693632 IYQFUQBMQXWNCU-WFXMLNOXSA-N 432.996 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1705696999 RUECZLLPTCXETR-NHCICSSKSA-N 445.007 4.975 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)CC(C)(C)C1 1705708596 DZPCCKOIJLIBPV-MSYCTHLASA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(OC)nc1 1705713186 WNJWTPNPTCWGOE-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CCc2cccs2)CC1 1705721752 VRGGIGNESQUNMH-QHCPKHFHSA-N 435.641 4.822 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705722328 GGQFMWVYIBDIDT-HXUWFJFHSA-N 438.576 4.522 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)CCOc1ccc(Cl)cc1 1705756777 NIBCGIVOXOZSCC-UHFFFAOYSA-N 438.384 4.555 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCC2(OC)CCC2)CC1 1705785607 OTAJMYLUORZRGM-UHFFFAOYSA-N 442.629 4.941 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CC2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1705799440 WVDLHNLANRCONF-PCCBWWKXSA-N 443.636 4.841 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705803677 ZADMUBKETLLBLF-NRFANRHFSA-N 446.599 4.592 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCSC1 1705859512 SFKVDJJICBPHSM-GOSISDBHSA-N 425.989 4.939 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1705893637 CSPGHKSAAWMEQA-BZSNNMDCSA-N 435.638 4.647 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCCN(C2CCCC2)CC1 1705912352 HKTSOJQUJXUWBQ-OAQYLSRUSA-N 437.632 4.859 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1706241839 CMIFCYZSLUUEDZ-UHFFFAOYSA-N 425.968 4.522 30 10 IJEE COc1cc(F)cc(Cn2c(-c3cccc(C)n3)nnc2N(CCC#N)CCC(C)C)c1 1711685836 CVKGBSUNNGDVJQ-UHFFFAOYSA-N 436.535 4.611 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccccc1C 1722283070 TZINMJMMWRRXFO-PKOBYXMFSA-N 434.609 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)C1CCCCC1 1722284554 KPXHOUYQAQASIN-INIZCTEOSA-N 434.415 4.974 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(C)C)C1 1722320908 OLSVVGJKDGZLIW-GOSISDBHSA-N 445.405 4.905 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1Cc1cccs1 1722327376 YUAMKKGMCOUJHM-INIZCTEOSA-N 444.402 4.722 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCO[C@H]1CCCC[C@@H]1C 1722418412 PNVOXASVBPHWGD-RDPSFJRHSA-N 449.574 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(F)(F)F 1722469869 MOJGRUJABCKMGY-OAQYLSRUSA-N 430.430 4.672 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1722492688 GWWBZULQHRRYJM-VXNXHJTFSA-N 449.599 4.583 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCCc2sccc2C1 1722556753 FQLKBRVWLFRDKF-UHFFFAOYSA-N 430.961 4.633 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1nncn1C 1722584787 XLJRYBJIEYJFIA-RTWAWAEBSA-N 433.604 4.892 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC[C@H](F)C1 1722595225 MEIKISCCQPUTHX-ROUUACIJSA-N 438.551 4.915 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1Cc2ccc(Br)cc2C1 1722605855 VAMXSFZZBAHHET-UHFFFAOYSA-N 438.373 4.903 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCO[C@@H](C)C1 1722652396 FDWZQIIRGPSFGM-VQTJNVASSA-N 435.572 4.680 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1Cc1nncn1CC 1722661521 ILSBTRRVWLSHAL-UHFFFAOYSA-N 439.976 4.512 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2c(C)coc2C)C1 1722720913 CFKPPPRDBAHKDF-HXUWFJFHSA-N 442.947 4.550 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1 1723764297 BFXRNKRRIJFVAR-LJQANCHMSA-N 434.613 4.952 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)CCC1 1730648338 BJWOVEFCQMFQLT-VQTJNVASSA-N 437.588 4.560 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1740572610 QDJYQCYOVUHHKS-IBGZPJMESA-N 440.588 4.550 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCCC(F)(F)F 1740651897 OFRBSOWYCPIIFS-UHFFFAOYSA-N 439.279 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCC1(F)F 1740728259 SNHPVJIUFULPSA-GAJHUEQPSA-N 444.526 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCCN1CCCC[C@@H]1C 1740733183 FMEIYKSRUKVEPU-GBXCKJPGSA-N 425.646 4.577 30 10 IJEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1740814077 MDOPHQYAFAQMKH-SFHVURJKSA-N 443.020 4.980 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](CC)OC)CC1 1740819996 MSKLQUOUSMUAAV-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N2CCCCC2=O)CC1 1740870320 DTPGWYYMBRWCEG-QHCPKHFHSA-N 435.616 4.768 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1Br 1740878686 RDKYKJOJQUULGU-UHFFFAOYSA-N 446.418 4.999 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccccc1-n1cccn1 1740934549 JHAZMUWOUZGQOS-UHFFFAOYSA-N 430.556 4.638 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1740944650 BYRBEPGITJAJDH-SFHVURJKSA-N 439.604 4.823 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749280032 ACSLQQVAWSPULZ-IBGZPJMESA-N 446.910 4.830 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1749334673 JVOWSGAKUBYJRA-QFIPXVFZSA-N 432.597 4.584 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N(CCO)Cc1ccc(Br)s1 1749428838 CGWFFWVMWDJZCV-UHFFFAOYSA-N 439.423 4.725 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC=C(Br)C1 1749434361 PPTKGSZDMJYCCS-UHFFFAOYSA-N 431.378 4.929 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 1749512279 WXKNGTQTSPRXTM-INIZCTEOSA-N 445.995 4.914 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)C 1749549448 XDCCOCBWKTTXBK-UHFFFAOYSA-N 444.626 4.649 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(CSC)c2)C1 1749716786 BNVSHRVLOJKYJI-OAQYLSRUSA-N 440.638 4.623 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](N2CCCCC2)C1 1760145125 INTXWKDWOSCEOR-GOTSBHOMSA-N 435.616 4.513 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2cccs2)CC1 1760342235 BQWAZQPKUVRHOM-UHFFFAOYSA-N 444.402 4.672 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2csc(CC)n2)CC1 1760343922 FZSGQKUVSUZPOD-UHFFFAOYSA-N 443.020 4.516 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](C(=O)NC)C1 1760423096 REXUNZMXMCMSIH-LJQANCHMSA-N 441.645 4.594 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)S[C@H](C)C1 1760447971 UULTZETXLKDWJC-SBHAEUEKSA-N 444.645 4.958 30 10 IJEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1761089197 FZJMQSKIAUGCMX-IFMALSPDSA-N 439.579 4.986 30 10 IJEE COCCC1(Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@H](C)CC#N)CCCC1 1770998067 BXJKYPRWOXLTKU-HXUWFJFHSA-N 434.588 4.616 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(C3CCCC3)n2Cc2ccc(F)cc2C(F)(F)F)C1 1771528930 GNJJFQNNMRVLRQ-IBGZPJMESA-N 425.405 4.584 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSC(C)C 1860927357 BKLPXSGEZUVAMX-JOCHJYFZSA-N 431.646 4.814 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862436375 RHDCCJXHFARERL-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1ccncc1 1862456343 PKLYEKYXRIVESD-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478581 KUZPITSQCOXSLM-OAQYLSRUSA-N 447.512 4.576 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)cc1 1862517197 HMHXJLAIFYXHSU-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(Cl)cccc2Cl)c1 1862562641 KIUIKSJOSXZLDY-LJQANCHMSA-N 443.286 4.947 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1[C@@H]1CCCC[C@@H]1C 1862604630 GLNABBZIQYAGIX-WPSZSDGUSA-N 447.531 4.923 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(C)c2)cc1F 1862636176 AUPGTCRVLSQBII-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862676783 QVEXHSXNROJMQD-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 1862677430 BMMHOEAXVIQRAQ-DEOSSOPVSA-N 444.506 4.979 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccccc2C(=O)O)c1 1862702414 ZHCBMQHUCNQKCB-RBQRDFNRSA-N 449.503 4.550 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1Cl 1862760029 DUOYJPCWYLGCMX-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862991649 JBGJSOLCINSKPE-UHFFFAOYSA-N 448.482 4.614 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871376895 JYYDHQHMJRWUGY-DHLMYGRGSA-N 428.440 4.939 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871422229 GXVAZOGBPZEWLX-CFRMEGHHSA-N 427.456 4.831 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)c(OC)c1 1871453592 HKUABFGCNNPOFX-MSXFZWOLSA-N 445.471 4.646 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(N3CCCCC3)cc2)[nH]1 1871607890 MQLIUDWONGHJQO-UHFFFAOYSA-N 435.620 4.664 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871825878 XKLITTPECXMFFC-FQEVSTJZSA-N 428.598 4.939 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccccc2)C1=O 1873159318 ONHKVHNDSHQHBJ-UHFFFAOYSA-N 427.633 4.839 30 10 IJEE COc1ccc(-n2ncc(N/N=C/c3c(OC)ccc4ccccc34)c(Cl)c2=O)cc1 1873525549 JUMVHASMRRKDPA-DHRITJCHSA-N 434.883 4.502 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(NCc3ccccc3F)ncnc21 1873636936 GDSBKLCQOORZJB-UHFFFAOYSA-N 444.514 4.687 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C 1873737324 LPHVYOWXWZBFOJ-UHFFFAOYSA-N 441.531 4.941 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc2c(c1)OCO2 1873886393 UFDHPGRSROTBSC-RPWUZVMVSA-N 436.552 4.803 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)ccc3O)c(=O)oc2c1 1873907619 MNHPGRUSLSAVSY-UHFFFAOYSA-N 427.884 4.987 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(NC(=O)C(C)C)cc3)c(=O)oc2c1 1873973064 KCWRDDWQCGYQQH-UHFFFAOYSA-N 448.519 4.832 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccn2)c1 1874426415 HGOWJFDAVFSDKT-CVKSISIWSA-N 442.548 4.570 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1-c1ccccc1 1874428619 RPWDXWNVTVYGRB-KOEQRZSOSA-N 428.517 4.860 30 10 IJEE C=C(C)CSc1nnc(COC)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874501437 HIUKRUNEEFLABS-OEAKJJBVSA-N 432.590 4.943 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccc(F)cc1 1874504642 XHNGEXJGJKNESV-ZVHZXABRSA-N 425.533 4.545 30 10 IJEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F 1891216732 WRKXRSQRPRKPFN-UHFFFAOYSA-N 432.273 4.572 30 10 IJEE Cc1nc(-c2ccccc2Cl)sc1C(=O)NCC#CCN1CCc2ccccc2C1 1891333765 KROJSOWIEDVBJR-UHFFFAOYSA-N 435.980 4.563 30 10 IJEE C=C([C@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922974839 WAYKCDIERIGBME-SJORKVTESA-N 428.443 4.679 30 10 IJEE C#Cc1ccc(CC2(C(=O)O)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1 1951887821 ATMQKEMQXMPQPD-UHFFFAOYSA-N 437.495 4.546 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1976223124 PGKAFRZSHLOOSQ-HIFRSBDPSA-N 447.167 4.552 30 10 IJEE N#CCc1cc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)ccc1N 1977659181 LNOULKOTWPCGPX-UHFFFAOYSA-N 442.519 4.607 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1)NCCC 2009296868 ZUQDGUVTOZNLTE-PUHATCMVSA-N 432.605 4.542 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)nc(CC)n1 2078524958 SOPAHKFXJOKOBO-UHFFFAOYSA-N 440.035 4.626 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)c(C)c1 2079857459 AQGGQZMZIUGNHE-GOSISDBHSA-N 435.309 4.799 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1cccc(Br)c1C#N 2105983764 QECPDBTZOBNWEU-KRWDZBQOSA-N 430.293 4.767 30 10 IJEE C[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cscc1Br 2130076855 CFJJAJWHRBLUMU-IUODEOHRSA-N 444.395 4.665 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)c1ccsc1S(C)(=O)=O 2150481203 LYRSFZLSQOQLOT-OAHLLOKOSA-N 426.947 4.811 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3Nc1ccc(C#N)c(Br)c1F 2169552937 UNPZNLDEYMPDIW-AFSSITGASA-N 436.325 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(c3ccc(Br)cc3C#N)C2)C1 2174813494 XAUYRRMFBXXXCS-NRFANRHFSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181052621 GKTSLRZPJRXDPE-KBPBESRZSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)Nc1ccc(Br)cc1C#N 2181107588 JUMCIWCNDOOMGJ-INIZCTEOSA-N 436.350 4.829 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2c(Br)cnn2C(C)C)C1 2183007326 ZZEHHYJKBSXLNF-QGZVFWFLSA-N 441.414 4.738 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2200684436 CMRVTRDAAWKPMR-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE Cc1ccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)cc1CNC(=O)OC(C)(C)C 2231333857 RLNPJCUVMHLDPA-UHFFFAOYSA-N 442.365 4.524 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Br)nn2CCC)C1 2232473224 CBPOSKZACGUTCX-QGZVFWFLSA-N 441.414 4.567 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2235727377 QJQHTJQAVJMEDY-HKUYNNGSSA-N 435.406 4.816 30 10 IJEE CC1(C)OB(c2ccnc(NCc3ccc(OCc4ccccc4)cc3)c2F)OC1(C)C 2266061554 IMGGXLCIIVIFCG-UHFFFAOYSA-N 434.320 4.711 30 10 IJEE O=C(C#Cc1cccc(Br)c1)c1c(Br)cncc1Br 2278724755 GTOUUWJAYJPRFF-UHFFFAOYSA-N 443.920 4.604 30 10 IJEE C#C[C@@]1(Oc2nc3ccc(Br)cc3s2)CCCN(C(=O)OC(C)(C)C)C1 2278964423 HJIMZLUFCDPWGZ-LJQANCHMSA-N 437.359 4.841 30 10 IJEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)c1ccc(Cl)s1 2281976553 CXRLUQZDVREFKB-VIFPVBQESA-N 432.203 4.907 30 10 IJEE CC1(C)OB(c2ccc(F)c(C(=O)Nc3ccccc3OCc3ccccc3)c2)OC1(C)C 2282405420 WDWCDZUHKDPJGR-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCCCN1C(=O)OC(C)(C)C 2296215800 DRLCNGIRDJJYIP-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CCCC1([C@@H](O)C#Cc2cccc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2296225177 RYDXBFMQZFSTON-IBGZPJMESA-N 436.390 4.979 30 10 IJEE CCCC1([C@H](C#Cc2cccc(Br)c2)NC)CC(NC(=O)OC(C)(C)C)C1 2296279784 SJYJBLWKEIYGAP-LVIWNVNYSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C1CCC(CNC(=O)OC(C)(C)C)CC1 2296288880 LMOFUJOVZZSQIB-AFMYVXGZSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2296299053 QNPBYYVNQIWQCJ-LSTHTHJFSA-N 435.406 4.672 30 10 IJEE N#Cc1cc(N2CCC[C@@H](c3nccnc3Oc3ccc(C(F)(F)F)cc3)C2)ccn1 2296586992 MIYQKGLELMAWPI-OAHLLOKOSA-N 425.414 4.938 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)c3ccccc3C)ccc2C1=O 2296867397 MSJUVXQUAYCWCX-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE C[C@@H]1[C@@H](C)[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 2304196756 WPIBHPUFYYHHPQ-ZOCZFRKYSA-N 436.557 4.852 30 10 IJEE COC(=O)c1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2314429643 LJNGJHDAQVUDLS-UHFFFAOYSA-N 446.455 4.606 30 10 IJEE C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2317354963 SUFREIQJDSALCF-MRXNPFEDSA-N 432.370 4.797 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317358244 JWANXUNUSJYHAB-HDICACEKSA-N 430.354 4.503 30 10 IJEE Oc1nc(CSc2nnc(C3CC3)n2N=Cc2cccc(Cl)c2)nc2ccccc12 2320879175 QKSHBPBJCCRFGA-UHFFFAOYSA-N 436.928 4.632 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)ccc1O 2320880359 WUCJICZEBYLUTK-UHFFFAOYSA-N 429.889 4.597 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1 2322308363 FAJCRHHRVDTPCD-UHFFFAOYSA-N 447.512 4.811 30 10 IJEE COc1ccc(OCCN2COc3c(cc4c(c3C)OC(=Cc3ccccc3)C4=O)C2)cc1 2322321694 YKOHOKNRHOSIDE-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(cc3c(c2C)OCN(C(C)C)C3)C1=O 2322353425 JWAXOOOTPSYQQP-UHFFFAOYSA-N 444.325 4.943 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)cc1OC 2323060090 HDERCFWWSULDDM-LJQANCHMSA-N 445.515 4.856 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc(Cl)c1OCC(=O)N(CC)CC 2323635355 PYMASEFLCPCZKG-UHFFFAOYSA-N 445.943 4.891 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 2323678208 NPJSGPAREYBCIY-UHFFFAOYSA-N 447.871 4.875 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1F 2324110860 HARUDGIYYMWNQM-UHFFFAOYSA-N 443.858 4.672 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(OC)c2)cc1C 2324649271 SDPKBTLMSCBGHK-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 2324762534 AUHPKEHFKPQMLL-IBGZPJMESA-N 448.500 4.504 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1cccc(C)c1 2325513579 IFQIADKUGCQDCR-UHFFFAOYSA-N 426.542 4.873 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2cccc(OC)c2)c1 2325707525 KKVWFWZPCISNIS-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)c1 2326752405 CELVQLXVAUATIJ-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE CCCCCCCCCOc1ccc(C=NN=c2ccc3nnc(C)n3[nH]2)cc1OCC 2328809269 VROLHHRQSBWKHX-UHFFFAOYSA-N 438.576 4.829 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(F)cc1)Nc1ccccc1 2330454536 QZWLSXDWURFOCL-UHFFFAOYSA-N 445.523 4.621 30 10 IJEE CC(=NOCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc(Br)cc1 2330482506 USMRVVRXRQXNMQ-UHFFFAOYSA-N 441.325 4.668 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)C)cc1 2331673707 WMLJOEDNNRPNAM-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)[C@H]1CCCO1 2331752268 LIRUEQQRGAEKTC-HXUWFJFHSA-N 430.884 4.646 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339576159 FCCQECZKZBOJIA-UHFFFAOYSA-N 444.381 4.895 30 10 IJEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576569 JNNTYHOLTLQEAE-MJGOQNOKSA-N 443.397 4.608 30 10 IJEE CC1(C)OB([C@H]2CCN(C(=O)CCCc3ccc(Br)s3)C2)OC1(C)C 2342480173 AZMXYKJJVORETN-ZDUSSCGKSA-N 428.201 4.528 30 10 IJEE Cn1cc(Br)c(CSc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)n1 2366980073 VRVDORVBKLEXLZ-UHFFFAOYSA-N 436.184 4.515 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)CC(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369726833 IAQKKGGLKDHCBU-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(C)cc3)c2C#N)C1 9630172 FPBQOEOGZUYVKO-UHFFFAOYSA-N 429.567 4.564 30 10 IJEE COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cn(CCC#N)c3ccccc23)c(OC)c1 15830156 UCSJTENELVVHAA-MURVUTHMSA-N 429.520 4.949 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(OC)c2OC)cc1 21660441 FDZDZKXLGGKUBH-MWTRTKDXSA-N 446.503 4.967 30 10 IJEE Cc1ccc(-c2ccc(CCC(=O)N3CCN(C)CC3)n2-c2ccc(CC#N)cc2)c(C)c1 23429081 SURZHUPNIPDWCZ-UHFFFAOYSA-N 440.591 4.534 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cccc(OC)c2)c(C)n1 32972815 SODLYPSWNXGLQP-UHFFFAOYSA-N 439.947 4.662 30 10 IJEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CCOc3ccc(C(C)(C)C)cc3)C2=O)cc1 96546659 BZMLXRQVYUOQJY-AREMUKBSSA-N 436.552 4.785 30 10 IJEE COc1ccc(Nc2oc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)nc2C#N)cc1 97432685 SYRCJRUMFRZCNJ-WQRHYEAKSA-N 448.529 4.700 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 102505004 ATSIYHMOLFCLTI-AGGMBTAESA-N 432.407 4.669 30 10 IJEE CCCOc1cccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 103090460 SIPGXNPIFUCNCD-SADKCHQCSA-N 434.517 4.554 30 10 IJEE Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C#N)c3ccc(F)cc3F)cc12 111028924 BARNKHWPJZGADK-LJQANCHMSA-N 440.450 4.867 30 10 IJEE COc1cccc(/C=N\n2c(S)nnc2CCc2ccccc2)c1OCc1ccccc1 169911209 KJBGWAZLEIBKRE-ONUIUJJFSA-N 444.560 4.822 30 10 IJEE CCN1C(=S)N[C@H](c2ccc(OCc3ccc(C)cc3)c(OC)c2)C2=C1CCCC2=O 169933044 LVUDYKSGIFNEMX-XMMPIXPASA-N 436.577 4.841 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1cccc(C)c1 169941732 OXKFVXHNZKRMPA-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(C)c1 169967428 QGNGXUCHNHYVEL-NRFANRHFSA-N 448.544 4.855 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(C)c2)cc1 169968835 REMURIPCMBFLMI-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)ccc1F 170058834 ITDMYHYGSBMZSU-NRFANRHFSA-N 436.870 4.961 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)s1 170066286 XRMOJZJFKNPDAZ-FQEVSTJZSA-N 442.581 4.887 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2)c1 170118158 JLGVZNDUGIBBCY-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)cc1C 170227540 QPKXGOJGLJYUAV-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170240845 SQJPWYXOCQMPSG-GGAORHGYSA-N 431.463 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2C)c(OC)c1 170271119 IFCGCSUHCHTXJK-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2C)cc1 170273671 CMUNCSYXAPWJBJ-OFNKIYASSA-N 435.520 4.541 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(C)o2)c(C)c1 170304910 SXNVWDCMTRORQC-QFIPXVFZSA-N 431.444 4.716 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccco1)c1cccs1 170424494 QQONDMKEVSVMLI-JOCHJYFZSA-N 448.544 4.584 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(OCc2ccccc2)cc1 170438216 CEJBXSOPRLVRMX-QFIPXVFZSA-N 437.536 4.613 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccccc3OC)c(OC)c1)C2=O 210085309 FNWDRWWMLPQZIG-ZVHZXABRSA-N 446.455 4.938 30 10 IJEE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)o1 254490474 SZZVCVFNOWUYOH-UHFFFAOYSA-N 435.461 4.629 30 10 IJEE CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ccc(OCc2ccc(C)cc2C)cc1 254872348 VJFBMXLNWXVHBI-UHFFFAOYSA-N 436.581 4.736 30 10 IJEE Cc1nnc(O)nc1NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 263628697 FLWHMGQOEZGBFQ-XMMPIXPASA-N 449.518 4.687 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 441198083 BRWGRNXBMSAJJA-JXFKEZNVSA-N 425.529 4.912 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SC[C@@H](O)Cc1ccccc1C(F)(F)F 443459074 BVVFIRYBKDBXQG-SFHVURJKSA-N 433.499 4.769 30 10 IJEE C=CCCCNC(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 448013626 BMLIIAYZQOGQMB-UHFFFAOYSA-N 449.292 4.631 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(O)nc2ccc(Br)cc12 464936572 BSCFBSCHXUPEDX-AZUAARDMSA-N 436.309 4.615 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N1CCC(C)(C#N)CC1 508800069 DLPACRIDFFOIQT-UHFFFAOYSA-N 434.371 4.913 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 508846749 HYUURBIPYRHZEP-LJQANCHMSA-N 436.560 4.513 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 510986866 XIJFEBLKCKMBFD-JOCHJYFZSA-N 439.943 4.760 30 10 IJEE C=CCn1c(SCC(=O)N2CCC(OCC(C)C)CC2)nnc1-c1ccc(Cl)cc1 520017420 BKNRWNPLKSWFBW-UHFFFAOYSA-N 449.020 4.540 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526822702 NEFXGWXRFWOHPL-MSXFZWOLSA-N 441.944 4.644 30 10 IJEE Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC(C)(C#N)CC5)C4=O)cc3)sc2c1 542788789 JLTYBSWGNXCDFT-HXUWFJFHSA-N 444.560 4.529 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@H](c4ccccc4F)C3)n2Cc2ccccc2)cc1 555175042 PZWBFYCSULFKQU-DEOSSOPVSA-N 439.494 4.582 30 10 IJEE C=CCCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cccs1 555433596 QGDSSPWDYOLZRP-UHFFFAOYSA-N 448.596 4.748 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 578726944 IDNPYEIBQMZBFI-UYAOXDASSA-N 440.979 4.994 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)NCc3ccc(C)cc3)CC2)c1 585910108 CTNITLJLDJZAHH-UHFFFAOYSA-N 448.611 4.937 30 10 IJEE CCc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 586509120 WQWPVQRVVCMGKK-UHFFFAOYSA-N 443.609 4.993 30 10 IJEE C[C@H](NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12)c1cccc(C#N)c1 587719420 PYAIEKQHOPLLIB-SIBVEZHUSA-N 433.511 4.794 30 10 IJEE COc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)cc1OC 619817354 PFWCICHTZNJSGU-UHFFFAOYSA-N 439.519 4.519 30 10 IJEE N#Cc1cccc(-c2nnc(N3CC[C@@H](COCc4ccccc4)C3)n2Cc2ccccc2)c1 619820360 UCAVUDQWVVYCKO-RUZDIDTESA-N 449.558 4.908 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](Oc2cccc(F)c2)C1 669810827 VMMIMQJFOSAAAH-VJBWXMMDSA-N 434.515 4.506 30 10 IJEE Cc1sc2ncnc(SCC(=O)OCc3cc(Cl)ccc3OCC#N)c2c1C 735328384 AFJOBQRGYBRMKR-UHFFFAOYSA-N 433.942 4.699 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc2c(c1)OC1(CCCCC1)O2 743465087 BWPOMCRBUKXKSK-SFHVURJKSA-N 435.524 4.874 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(F)cc2)[n+]2cccc(O)c2Cl)cc1 762445553 RGKJNGBGVRDSTR-UHFFFAOYSA-O 426.880 4.667 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(OCCc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 790520112 DLTUFHJSHXQKMS-SANMLTNESA-N 442.600 4.583 30 10 IJEE Cc1cccn(Cc2c(F)cccc2NC(=S)Nc2ccc(C#N)c(Cl)c2)c1=O 806609377 MUIZIGWMJPVNFV-UHFFFAOYSA-N 426.904 4.678 30 10 IJEE Oc1nncc(NN=Cc2ccccc2OCc2cccc(Br)c2)c1Cl 1084255155 YSNOFJOFAVZLCR-UHFFFAOYSA-N 433.693 4.623 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/S/C(=N\CC)N(CC)C2=O)cc1OCC 1084293919 BGGVSADVZOMVDG-MNOKLWBPSA-N 439.375 4.725 30 10 IJEE O=C1C(=NNc2ccc(O)cc2)C(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 1084384395 YZQVMFJBXTYIAX-UHFFFAOYSA-N 439.500 4.735 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(c2ccc(OCC)cc2)CC1(Cl)Cl 1125487565 PXYBJPKMIFFLPU-JOCHJYFZSA-N 429.347 4.987 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cc(Br)ccc1Cl 1125786783 XABOXFIPKRHNEQ-CYBMUJFWSA-N 430.730 4.628 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)-c2ccccc2CCC3)cc1 1125797692 BPVAXNCIYNLWRI-UHFFFAOYSA-N 432.545 4.749 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1128072596 TWEBRZYEAFJCQQ-AKIFATBCSA-N 444.616 4.732 30 10 IJEE C=CC[C@@H]1N(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CCCC1(C)C 1128572994 FMYJCTKJOWAHDR-SFHVURJKSA-N 442.419 4.596 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 1129783978 HMTUETDDPMLUPK-FQEVSTJZSA-N 428.458 4.571 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 1132189407 NFCXKQYXLCVLSX-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)nc2sc(C)c(C)c2c1=O 1164584203 VKWIPHQRRVBVDP-MRXNPFEDSA-N 427.595 4.997 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 1169002835 CWFHPBGODTYQQR-DZGCQCFKSA-N 433.499 4.944 30 10 IJEE C=C(C)CS(=O)(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1188507446 HXUKSNFGQHQTNO-LLVKDONJSA-N 429.304 4.823 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CSc1nc3c(cc1C#N)CCCC3)C2 1188563759 BEUYSJZALUKGEF-LJQANCHMSA-N 443.613 4.730 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 1219084298 IEEGWXSIMGKNPV-QGZVFWFLSA-N 448.336 4.944 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)C(C)C 1220597794 IWAMZROIAPCRIA-CTNGQTDRSA-N 426.630 4.884 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1224389308 SCGKPVRSPRCAKH-XZOQPEGZSA-N 439.600 4.820 30 10 IJEE C=CCN(C(=O)c1csc(Br)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1269215756 QRPCDXVYAHSTKE-KRWDZBQOSA-N 436.371 4.622 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)c1ccc(Cl)cc1F 1275497414 BTKNVNXDPWSVCI-KRWDZBQOSA-N 429.829 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(CC)CCOCC1 1286307040 ZCMUWBWJGJLPFR-KRWDZBQOSA-N 433.021 4.889 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286450279 CVUUGFKTPQISTL-ICSRJNTNSA-N 434.506 4.994 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCC1CC(OCC)C1 1286455719 IHNSEZNENKSIIQ-IQWMQGJTSA-N 440.563 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCC1CCOCC1 1286514823 ATNQSHYFMBOFAG-JOCHJYFZSA-N 443.389 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCCN1CCC(C)CC1 1286528296 VVSUNCMOGWDQFK-MUUNZHRXSA-N 447.671 4.958 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](OC)C(C)(C)C 1286529131 UHPDBLOCFFWBOC-HYBUGGRVSA-N 426.630 4.932 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OC(C)(C)C)CC1 1286554992 ZWKYNTUYMFRNLY-WIYYLYMNSA-N 428.577 4.612 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CCCS1 1286750283 WNVJVUYWMGJAHY-QFIPXVFZSA-N 442.658 4.680 30 10 IJEE Cc1nc(C)c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)s1 1290371083 GFEYBVIAGAWSMO-QAPCUYQASA-N 438.601 4.895 30 10 IJEE CCc1ccc(Cn2c([C@H](C)CC)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)s1 1292550696 DLJJYJPDWHOEMR-VGSWGCGISA-N 435.597 4.913 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1CCCCO1 1292603209 GUCQVWFHKMRPIY-SQJMNOBHSA-N 437.588 4.509 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1300372782 LBNKNMKUUCYRAE-RTBURBONSA-N 445.032 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccccc1F 1300790672 ULAVBWOUCMAVHL-QMHKHESXSA-N 439.922 4.592 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1300830355 UUNALBDEOQDEIP-RDJZCZTQSA-N 446.349 4.778 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(F)(F)CC1 1300832155 FUFFTHDETGTXDJ-UHFFFAOYSA-N 447.711 4.751 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCC1 1300873422 GDLJKABLWLCQCY-NFBKMPQASA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2ccncc2)CC1 1301074539 BEDKQFGPFGTJPC-UHFFFAOYSA-N 433.556 4.537 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1301207936 JESZDNAQURMPDG-INIZCTEOSA-N 433.394 4.986 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccco1 1301379174 CTYNDSUYEJOCRB-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)SC 1301379842 VSCMVCHVDCFFIJ-CQSZACIVSA-N 437.407 4.646 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC(CN3CCCCCC3)CC2)cc1 1301525743 JPOJZZMWPJHWDG-UHFFFAOYSA-N 437.632 4.546 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc([C@H](C)O)cc1 1301956209 GLTPMLHESMJFII-KSZLIROESA-N 449.624 4.829 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1304738432 VNBGIQUIVUNZTF-KVJLEPHUSA-N 432.586 4.509 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 1305104751 GBXYAHADTDLJAB-QHCPKHFHSA-N 434.632 4.811 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C)c1ccc(Br)cc1 1312938153 XKTWSWXKJSRIJP-RBUKOAKNSA-N 449.389 4.809 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Br)cc2Cl)CCCN1C(=O)OC(C)(C)C 1353086656 PIINYDSEONJQBX-LJQANCHMSA-N 441.753 4.834 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H](c1ccsc1)N(CC)CC 1358882603 DDXSCBQUDCHQPI-WIYYLYMNSA-N 437.613 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCn2ccnc21 1358896992 QLQQWFNTOFVHFJ-LEWJYISDSA-N 446.599 4.521 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1358909928 XBIOCRMLKOLQDS-LADGPHEKSA-N 429.568 4.748 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccc(C)s1 1359049684 UOTFKWXSZQFMJK-QGZVFWFLSA-N 444.601 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCOCC 1359064043 JWOLSNMMYMFZDO-FDDCHVKYSA-N 430.980 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(C)C)CC1 1359074800 RSRJCHPGSLADLZ-YADARESESA-N 441.620 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccoc1 1359090550 COXZIEWMIPCGFY-JUXOCIIHSA-N 440.519 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCCCCC1 1359095520 PFBLEFYJKRXINS-REWPJTCUSA-N 440.588 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)c1nc(C)cs1 1359108841 FHTASXADXFLBRY-OAHLLOKOSA-N 426.546 4.824 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@]2(CCSC2)C1 1359118880 IYSUXRIUIGGIFC-FQEVSTJZSA-N 433.419 4.926 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H]1CSC 1359127675 XMHGCJILKXLDBW-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2csc(CC)n2)CC1 1359181927 MPGUMZYLEXLJJA-UHFFFAOYSA-N 441.576 4.660 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1359182080 ROZGFPJSMQLEHL-MCEIDBOGSA-N 430.637 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359185844 LFQBWGGARZLCOQ-MRXNPFEDSA-N 428.886 4.968 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1Cc1nc(C)cs1 1359255372 VXLZTTLKTMDIEG-HXUWFJFHSA-N 439.585 4.534 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359261598 ONPTYTSHUUGNAT-VTYHHJSWSA-N 449.574 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCC[C@H]1CCCCO1 1359263476 CCFJKXZDBZTGDQ-WOJBJXKFSA-N 430.618 4.776 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCCC[C@H](SC)C2)cc1 1359307303 HDDCWTJNKQEAJB-VXKWHMMOSA-N 442.629 4.855 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCS1 1360744778 ALGYWOMAWWKIIA-XWFZLUIHSA-N 429.565 4.583 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)CCCN1C(=O)OC(C)(C)C 1360976340 VOOLEOBSDFZSTO-OAQYLSRUSA-N 440.462 4.668 30 10 IJEE COc1ccc(OC(F)F)c(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 1435544716 GYFXNVVXIABSBX-UHFFFAOYSA-N 438.430 4.677 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)nc(Br)c1)c1ccc(Cl)cc1F 1436653853 JNYWEWKDXNKWQD-GFCCVEGCSA-N 446.501 4.503 30 10 IJEE C=CCOCCCNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 1437775644 ZKTKZJZSRIYLGA-UHFFFAOYSA-N 437.796 4.502 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1439200362 QHZJRGRBIJVRPX-SFHVURJKSA-N 446.613 4.501 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NOC2CCCCC2)c1 1448115395 UKSFDVDIUAPLTK-UHFFFAOYSA-N 448.972 4.715 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 1458765433 GEAMPJMLUOKVGW-FQEVSTJZSA-N 434.319 4.906 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc3ccccc3n2-c2cccc(C)c2)c1 1458784603 XIPFBCJUKPXECZ-UHFFFAOYSA-N 440.528 4.756 30 10 IJEE C=CCn1c(SCCSc2cccc(OC)c2)nnc1[C@@H]1COc2ccccc2O1 1458827325 NLWAQBJMFHIWMS-FQEVSTJZSA-N 441.578 4.870 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@H]2CCCc3ccc(C(=O)OC)cc32)cc1OC 1462418582 SZWKYVOHKXYOPL-LJQANCHMSA-N 429.944 4.910 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc1 1463924354 WSJAGOLXZBOCCY-HSZRJFAPSA-N 432.565 4.510 30 10 IJEE C=C[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 1465328071 XTPSZAAZYVRKJM-KRWDZBQOSA-N 449.370 4.854 30 10 IJEE CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)n[nH]2)c1C 1466586480 DNNFXIQLONMPCT-MRXNPFEDSA-N 428.540 4.662 30 10 IJEE C=CCCC1(CNC(=O)CSCC(=O)Nc2cccc(Br)c2)CCCC1 1470075346 VGDOKFWNBFFYMH-UHFFFAOYSA-N 439.419 4.764 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1473467398 XXTGTHAZRCKLMZ-OAQYLSRUSA-N 432.515 4.639 30 10 IJEE N#Cc1cccc(OC2CCN(Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c1 1474378081 GUVQPLZEWZZNDU-UHFFFAOYSA-N 426.442 4.806 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)ccc1C(F)(F)F 1475332750 BPKOEQGOJMQIBW-QFIPXVFZSA-N 442.462 4.913 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)c1 1476468815 AQGSOBZUZSVPRJ-UHFFFAOYSA-N 430.455 4.846 30 10 IJEE C#C[C@@H](CCC)NC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1478895838 GUKAQRDRVXZRKJ-QFIPXVFZSA-N 445.563 4.689 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OC(C)C)CC2)n1 1492525049 GOPPYFMQWWVIIX-UHFFFAOYSA-N 444.583 4.547 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)c1nc(C)cs1 1505227942 FGEXBQSGJZMPQI-NVXWUHKLSA-N 440.642 4.963 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCc1csc(C(C)C)n1 1507541366 JGVMLYHHWIZSHH-SFHVURJKSA-N 432.597 4.562 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)[C@@H](C)C1 1507749817 YASOJPWZVXVDDP-OALUTQOASA-N 436.581 4.576 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC(C)C)C(C)C 1507798774 XECXEHNENCUTOP-NFBKMPQASA-N 442.604 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1507799701 XEVFQJJOITXXCW-AYMMHLMVSA-N 439.629 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](C)C1 1507810649 LQDDDKAEIYLZMA-YDHSSHFGSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507822237 RIMJOATVNYXIRR-UHFFFAOYSA-N 443.636 4.980 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H](c1ccccc1Cl)N(C)C 1507825901 AUSFUZMPOOCXIA-JOCHJYFZSA-N 439.007 4.623 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H](C)CCSC 1507829084 QTXAOAKNLOOMCX-AWEZNQCLSA-N 439.423 4.870 30 10 IJEE C=C(Cn1c(N2CCC[C@H](Oc3ncccc3F)C2)nnc1C(C)(C)C)c1ccccc1 1507850320 GQKTXGQLRVPZCC-FQEVSTJZSA-N 435.547 4.871 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC[C@H](C)C2)CC1 1507897526 JYFXHQOKMTVKNF-PKOBYXMFSA-N 440.588 4.810 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCC1 1507929250 OYUJPVCCEQHWLM-UHFFFAOYSA-N 439.423 4.867 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)SC)C1CC1 1507990205 IKBUIURQAHTZNR-GFCCVEGCSA-N 425.371 4.753 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)SC 1507998214 NLNBUFGMERBOCT-LJQANCHMSA-N 430.618 4.515 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1Cc2ccccc2[C@@H]1C)C(C)C 1508012567 GYTPFRNJQVNBGI-BGWNEDDSSA-N 435.616 4.562 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCCc1ccccc1 1508015530 ZVCCTEFJEZZCSQ-UHFFFAOYSA-N 440.389 4.857 30 10 IJEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)N(C)C 1509105734 CSWNNDMWFSHGFN-QPTUXGOLSA-N 434.632 4.810 30 10 IJEE CC(C)SCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N 1509889017 CFOCFXRGGUVLIK-GFCCVEGCSA-N 428.425 4.649 30 10 IJEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Cl)s1 1517339664 FQFHYXUHBVAZJK-UHFFFAOYSA-N 429.977 4.831 30 10 IJEE C=CC[C@H](C(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1521721075 ZCAUQHHAYFILAW-PZJWPPBQSA-N 441.369 4.729 30 10 IJEE Cn1cc(CNC(=O)c2cc(Cl)ccc2OC2CCCC2)c(-c2ccc(C#N)cc2)n1 1528593002 BMVNCERJPPTASR-UHFFFAOYSA-N 434.927 4.864 30 10 IJEE CC(C)COc1ccc(C2(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CCC2)cc1 1530808222 FQNIDVHLPPGQNN-UHFFFAOYSA-N 445.607 4.796 30 10 IJEE C=C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccc1 1532388187 VCKPSHOXKLTXOF-DEOSSOPVSA-N 435.545 4.711 30 10 IJEE C#CCN(C(=O)CCOc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1538197794 BSGDEQZESGVFLU-IBGZPJMESA-N 428.326 4.512 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539049350 MAWDJKACDWVRKO-LJQANCHMSA-N 443.979 4.505 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1539116648 MBEQLAUJMGTKFC-FGZHOGPDSA-N 442.991 4.537 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1ncc(C)s1 1539149525 YBTBZHTZCPMQTI-HOCLYGCPSA-N 429.977 4.710 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)c1c(C)noc1C 1539566063 DEOMZUMJBVSMNB-AFMDSPMNSA-N 447.583 4.875 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1539694837 QNRUNZBQZNPWLH-KRWDZBQOSA-N 445.995 4.916 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2=CCCOC2)CC1 1539836471 SAXRLCTUICDPEH-UHFFFAOYSA-N 429.362 4.519 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1539882462 LIVWPAJNDQITKC-UHFFFAOYSA-N 444.008 4.593 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@H](C)C1 1539910773 OQWPSWNEJOZVBD-HOTGVXAUSA-N 433.394 4.924 30 10 IJEE C=CCCCCn1c(N2CC[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539975177 NMZWLPTURAQZBZ-YSTOQKLRSA-N 429.609 4.784 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1540035584 FMVVXELPZZCSRG-NRFANRHFSA-N 440.563 4.767 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCCN1CCCO[C@H](C)C1 1540127841 VRQFCZHTXSMLQI-JOCHJYFZSA-N 449.599 4.540 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@]2(CCSC2)C1)C(C)C 1540151031 BWZWNXVNSRHQJL-URXFXBBRSA-N 429.678 4.578 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC(F)(F)F 1546615051 CPIMBGVFOFWLAJ-YLJYHZDGSA-N 448.537 4.716 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 1561183934 SGIKALJCRUGGGE-UHFFFAOYSA-N 430.398 4.589 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccccc1 1562296827 HFTKXXCJWMDSAB-UWJYYQICSA-N 449.942 4.849 30 10 IJEE Cc1cc(F)cc2c(=O)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)c[nH]c12 1570552263 ADKWUDCQVNICSG-CYBMUJFWSA-N 431.389 4.549 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)c1 1583155756 YWGSJVQLBDPILN-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE CC(C)(NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1 1583445757 DRYOEHCFPJDRKW-UHFFFAOYSA-N 433.449 4.984 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)CCCN1C(=O)OC(C)(C)C 1584212974 CVEJWQPKKBDZOX-VWLOTQADSA-N 439.556 4.655 30 10 IJEE C[C@H](CC(=O)Nc1ccc(Br)c(C#N)n1)c1ccc(F)c(Br)c1 1584530114 BZOLTAORJBYESV-SECBINFHSA-N 441.098 4.750 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)CC#N 1585360877 DWLLWXWHEPMWTL-KOSHJBKYSA-N 433.552 4.700 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1587769669 KUKNWMLHUASVAH-IBGZPJMESA-N 437.588 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1589589601 LIXJAHYJTTYZGA-GOSISDBHSA-N 431.625 4.768 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1589715724 RUPUZFWSWCKYAB-UHFFFAOYSA-N 441.377 4.834 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CCC)C1 1594793473 OLLHPLNHWZCWRY-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N(CC)CC)cc1 1594885960 SKVHAHISQUGCBL-UHFFFAOYSA-N 443.393 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC12CCOCC2 1595191669 VHMOLLJMBFHHQH-OAHLLOKOSA-N 449.418 4.764 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CCOC)Cc1ccc(C)o1 1595343303 JGVVVQBWZXODKQ-UHFFFAOYSA-N 437.363 4.510 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1595901114 PVWRVNKBAZVDPI-ICSRJNTNSA-N 425.602 4.663 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)cc1 1611318983 AADKLDPYBRMHTN-NSISKUIASA-N 429.996 4.831 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc([C@@H]3CCCO3)n2)nnc1-c1ccccc1OC 1611760854 WPZOAEIMTXQOFO-HNNXBMFYSA-N 429.933 4.586 30 10 IJEE N#Cc1cnc(Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)c(Br)c1 1611974975 ADPGPHKGGRSOFW-UHFFFAOYSA-N 440.322 4.768 30 10 IJEE C=CCn1c(SCc2noc(-c3c(F)cccc3Cl)n2)nnc1-c1ccncc1 1613294781 OAMDFYWWNFGEKU-UHFFFAOYSA-N 428.880 4.661 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1614087326 DBNIQNSJZQPONN-OXQOHEQNSA-N 436.947 4.569 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 1622803367 NIGPAEGJRNNGBP-UHFFFAOYSA-N 438.553 4.675 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](CC)Cc2cccc(Br)c2)cc1 1622928661 GBTDOWMUXQAGMG-INIZCTEOSA-N 444.373 4.755 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](c3c[nH]c4cccc(F)c34)C(F)(F)F)CCO2)c1 1625854853 FPNDLYJMTKSQNP-ICSRJNTNSA-N 446.404 4.565 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 1629739825 SGNDIEZMVNKKMX-IBGZPJMESA-N 436.474 4.628 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1 1635263404 LIQUFMXCXRGTIQ-AZUAARDMSA-N 433.321 4.851 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)c1 1637044270 AFGVOALGYIAKAG-KRWDZBQOSA-N 437.849 4.760 30 10 IJEE C#CCN(c1cc(COC)nc(C(C)(C)C)n1)[C@@H]1CCOc2ccc(Br)cc21 1642274422 JDEXIBMGJFLDOX-GOSISDBHSA-N 444.373 4.646 30 10 IJEE C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccc(OC)c(OC)c1)CCC3 1643518744 SHAOTPNKWIJWHH-UHFFFAOYSA-N 442.606 4.875 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)cc1OC 1644625290 FHUSCWXSUIQSLD-CSKARUKUSA-N 434.319 4.870 30 10 IJEE COC[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(C(F)(F)F)c1 1645072106 GYNVLAJENCTMIV-SFHVURJKSA-N 425.838 4.536 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCc3ccccc3[C@@H]2C)cc1 1652668512 AFSPXCVBULHJCT-IBGZPJMESA-N 428.536 4.532 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 1655342152 DGEKQRCLULOXDC-UHFFFAOYSA-N 434.361 4.563 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1 1657415017 AMKXXPOUISRXPJ-LEWJYISDSA-N 439.003 4.662 30 10 IJEE Cc1ncccc1NC(=O)[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 1666036131 HPDSEVRQUNBPRE-OXJNMPFZSA-N 447.926 4.848 30 10 IJEE O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCN(c2ccccc2F)CC1 1670938518 DPHUKEKVKLWYCC-QGZVFWFLSA-N 449.370 4.980 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 1671187353 RADXSQWKADUOJO-UXHICEINSA-N 438.572 4.518 30 10 IJEE C#CCN(C(=O)NCCCc1cn(-c2ccccc2)nc1C)[C@H]1CCCc2ccccc21 1673416261 FEPPDXSRDKWWHK-SANMLTNESA-N 426.564 4.836 30 10 IJEE C#CCOCCNC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1674293472 YGCOUYPTWICNGO-XMMPIXPASA-N 437.543 4.916 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1678803098 HRYPOQQJGWASMJ-FRFSOERESA-N 430.902 4.767 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1681034442 LSRBSDUMMOIEAP-DEOSSOPVSA-N 449.595 4.961 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1682356643 KQWJFFFGSCDKOI-FKBYEOEOSA-N 425.573 4.572 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(C(F)(F)F)ccc2C1)c1ccc(Br)cc1 1683511948 DAULQOWJKFNIIC-SFHVURJKSA-N 437.259 4.910 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 1685955543 HKKXVSDBPSASJH-ORYQWCPZSA-N 434.342 4.799 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 1686762651 YCPBDSXTZPLMDE-UNMCSNQZSA-N 434.515 4.952 30 10 IJEE C#CCN(C(=O)NCC(C)(C)C(C)(F)F)[C@H]1CCOc2ccc(Br)cc21 1687339233 MRENIZJJOBXVET-HNNXBMFYSA-N 429.305 4.599 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@H](O)C1 1689828302 NEOPHMOWBVJGPB-HUUJSLGLSA-N 445.007 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1689864622 FOVGBJVPFUBXGX-IKGGRYGDSA-N 438.469 4.823 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@](C)(C#N)C1 1689935612 MQBQYFDTBRRPLV-DEOSSOPVSA-N 439.991 4.795 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1(COC)CCCC1 1689950759 AENWIMFFPWETIL-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C2CC2)cs1 1690083440 GKTVZQYGRGPGNS-UHFFFAOYSA-N 449.624 4.996 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(F)F)C1 1690185028 RQFDPQBOTANAEM-KRWDZBQOSA-N 436.597 4.727 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1690313314 QFNHPTSDMNNXED-WIYYLYMNSA-N 430.568 4.565 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccccc2C)C1 1690335639 DIWPXSQESJGJKF-SFHVURJKSA-N 430.339 4.632 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690350194 AQLQCJGBRREAFQ-UHFFFAOYSA-N 437.975 4.567 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1690373670 ICPORGWQYPYCKO-IBGZPJMESA-N 448.514 4.725 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC(F)(F)CO1 1690449436 GTXRMHSDYJWSTB-IPMKNSEASA-N 440.579 4.804 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690477866 JKEWAWOZBDKUAP-WOJBJXKFSA-N 439.604 4.959 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690492161 OPVHDUZSVRNIAN-DNVCBOLYSA-N 439.387 4.991 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1CCc1sc(C)nc1C 1690534674 HELUULVBKRZGKL-UHFFFAOYSA-N 429.615 4.517 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC1CCC(OC)CC1 1690558337 LYHXOEZWKQBJMM-UHFFFAOYSA-N 442.567 4.610 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc3cccnc23)n1CCC(C)(C)O 1690576055 LOVORQIFHKGNEC-UHFFFAOYSA-N 433.581 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1690598807 AIBWWDVGUDFHGF-QPPBQGQZSA-N 449.624 4.980 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)C)n1C[C@@H](F)c1ccc(Br)cc1 1690611145 BIGFPEMUJCDNLC-QGZVFWFLSA-N 425.346 4.514 30 10 IJEE C=CCn1c(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)nnc1C(C)(C)C 1690653217 ICRDIPQMVXJEHJ-UHFFFAOYSA-N 427.902 4.760 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1690687471 CAJSSEJPSSUYMQ-DENIHFKCSA-N 444.023 4.500 30 10 IJEE CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1692857933 HKKXZGSPUBQAAJ-HSZRJFAPSA-N 427.980 4.670 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H](C)CC#N 1697645324 DYNOTYSZGBZPAP-NNMXDRDESA-N 449.555 4.671 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1705511240 MRVDSUPFIAJVDA-IYBDPMFKSA-N 433.419 4.841 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1705525284 CRTAFIGCKUIDBP-QGZVFWFLSA-N 435.597 4.794 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1cccc(C)n1 1705575866 BAHGLDRWUJDXCZ-UHFFFAOYSA-N 443.620 4.685 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCOC1CCCCCC1 1705625480 LSYIBYXXQQFCRO-UHFFFAOYSA-N 449.574 4.802 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CC(F)C1 1705698089 ZQJQNMKIHVDXGU-ZLNGOHHNSA-N 448.970 4.773 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(F)(F)F 1705700569 VSMTZWVYMJBWRD-VQIMIIECSA-N 447.461 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1OCC[C@H]1C 1705712317 PUNQOIKETQNPFZ-DNVCBOLYSA-N 449.393 4.544 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCc1nccs1 1705721931 KNMIEZBMQNZKSH-UHFFFAOYSA-N 432.391 4.728 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705722787 ZKNVEWWOBSLJKZ-SJLPKXTDSA-N 437.544 4.617 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1705786961 BYXBGKYLYMFNFH-OAQYLSRUSA-N 434.632 4.978 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC)Oc1cccc(F)c1 1705836563 XIVMTAKZPHEFGU-MRXNPFEDSA-N 448.340 4.655 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705847953 CBFWZAGGXSJXEI-KRWDZBQOSA-N 437.613 4.671 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@H](F)C1 1705856816 GXXXJAHLTXFSPU-FGZHOGPDSA-N 435.547 4.603 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCN1CCC[C@H]1C 1705860569 KDNQYTYVNBDOKW-OAQYLSRUSA-N 432.616 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCSC1 1705870058 BHGBYXBXLNJBFN-OAHLLOKOSA-N 449.418 4.648 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCn2cc(C)nc21 1722406996 LGCOIXAXXFFRLA-VXKWHMMOSA-N 446.599 4.577 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1CC 1722421863 UYPFOXOWMTYNRK-LJQANCHMSA-N 448.636 4.828 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)C2CC2)CC1 1722576057 IHQYNGZTMIZSGY-QFIPXVFZSA-N 445.405 4.579 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1722596587 LDEKYBPBQPNFRL-VWLOTQADSA-N 449.643 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1722656602 FWXAYTXKQNOKIV-AREMUKBSSA-N 447.583 4.658 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC(C)C)CC1 1722743997 MDMMBCYKOFGOJL-WOJBJXKFSA-N 436.666 4.510 30 10 IJEE CC(C)SCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 1723730806 BYRQHPXRDVNLRX-UHFFFAOYSA-N 440.436 4.651 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H](C)c1ccccc1 1740615295 ZUKFTWQOLWVCHI-CTNGQTDRSA-N 437.588 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCCCC1 1740755167 YKVDOJXGZOPVHP-NQIIRXRSSA-N 425.533 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740777045 KSKVAUBAXAVTGO-WOJBJXKFSA-N 429.584 4.519 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](OCCOCC)C1 1740778189 NLOAMEZOERGIGD-QHCPKHFHSA-N 449.599 4.561 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1740791664 OYFWBSFKUZZDIP-REWPJTCUSA-N 434.588 4.738 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 1740801558 CLFSHVXZUWLTLB-OAHLLOKOSA-N 427.980 4.605 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CC=CCO2)CC1 1740841881 DGZNBBSKSZJFAZ-IBGZPJMESA-N 431.005 4.971 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC)C1 1740857340 LAUDOAGVAUAEFP-GOSISDBHSA-N 429.996 4.844 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740880501 XDTOADDLDYHTRL-IBGZPJMESA-N 438.494 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1CC 1740897862 XOQCIAVBTMRSOX-OALUTQOASA-N 434.588 4.684 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1CC1CC2(CCOCC2)C1 1740934051 PYIOISCIOLHQJI-UHFFFAOYSA-N 436.600 4.859 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C[C@H]1CCOC1)C1CC1 1740942857 NOTNBTVQXAONRD-ZWKOTPCHSA-N 430.980 4.880 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C=C)CC1 1741004831 NNBFFSHDMHRFFP-IBGZPJMESA-N 447.649 4.672 30 10 IJEE CCN1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CCC(C)C 1746405673 CDLOOWJLHVWKQM-NRFANRHFSA-N 429.012 4.849 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)c1ccc(C)cc1 1748751251 UVKLGOXKYMUNJV-UHFFFAOYSA-N 437.588 4.882 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1748760898 IWWDFIWLEQSKCQ-RTWAWAEBSA-N 442.991 4.708 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCn1cc(Cl)cn1 1748913118 PUMONZDBFVSRGU-UHFFFAOYSA-N 445.379 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1748943916 FRMISHALHVWGNM-LADGPHEKSA-N 447.558 4.570 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1ccc(Br)o1 1749200444 HOMSHNXPCRKEKB-UHFFFAOYSA-N 445.361 4.640 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1749239247 HDDVEUWUVDQIFM-YADHBBJMSA-N 442.629 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC[C@@H]1C 1749353851 BXBRBNQJSOQEJO-SFHVURJKSA-N 427.618 4.691 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC2CC2)CC1 1749354742 YHTIENPYQONFJD-LJQANCHMSA-N 441.595 4.692 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(Cl)nc1)C1CC1 1749527697 OBHAJMZGFJJSLC-UHFFFAOYSA-N 430.339 4.762 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CC[C@](C)(CC)O1 1749528509 SNSCEDBMNPVWEU-BVAGGSTKSA-N 447.583 4.889 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1CC(=C)Cl 1749552925 KVGZWFNLLMQUQO-UHFFFAOYSA-N 425.945 4.735 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2scnc2C)C1 1749701848 ZTVJKFATEMMLNS-INIZCTEOSA-N 447.967 4.527 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncccc1N(C)C 1751090967 CTGHRORMFCXQIR-QGZVFWFLSA-N 449.628 4.523 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OCC)CCCC1 1760207771 WMGYAUXGFRBJJK-UHFFFAOYSA-N 448.611 4.577 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760275702 FPNYIBSCWKNUNZ-OAQYLSRUSA-N 440.657 4.860 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1ccsc1 1760324267 JJACRMCRIRLLQI-NZQKXSOJSA-N 438.597 4.557 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760424211 AFWKHYBTDNFCPZ-OAQYLSRUSA-N 425.483 4.553 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1760445254 FDJICEIIPMWNKT-JXFKEZNVSA-N 436.959 4.755 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCN1CCCCC1 1760487103 JLCSFDKTAGDBES-UHFFFAOYSA-N 439.604 4.748 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccncc1Cl 1760491327 BZGPGZBVQKIKAD-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2oc(CC)nc2C)C1 1760537027 LJBYIUSLOGGNJC-LEWJYISDSA-N 435.572 4.508 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)c1ccccc1 1861057849 PPYSXITXXLTUDG-QHCPKHFHSA-N 426.557 4.652 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861198748 VDHRCUCRDBHJAJ-LADGPHEKSA-N 445.623 4.505 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)c1ccccc1 1861967979 KYPHJHYMTNVGHP-LJQANCHMSA-N 433.335 4.674 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1 1862475423 LBZHFKWQGPIGCP-XMMPIXPASA-N 443.499 4.530 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862476995 RFWLJTCGEYGCCJ-HJPURHCSSA-N 429.472 4.746 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C)cc1 1862544139 XHNWANXQBUTGRM-VWLOTQADSA-N 446.591 4.794 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 1862626030 SHTYXVLJUVLAFN-JVJLVOBOSA-N 437.467 4.711 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 1862663113 PISOLQZENURHMZ-QHCPKHFHSA-N 428.488 4.689 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)C3CCCCC3)cc2)=C(c2ccc(F)cc2)C1=O 1863147319 KZYLGIRMBXDNDF-UHFFFAOYSA-N 447.510 4.723 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(F)c(C)c2)C1=O 1863791049 ZVSBBZBRVBHKNE-UHFFFAOYSA-N 445.623 4.896 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c[nH]c3c(Cl)cccc3c2=O)c1 1866071609 LDRGAGWJSUCIMV-UHFFFAOYSA-N 441.874 4.845 30 10 IJEE Cc1nc(Nc2ccc(C#N)cc2)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868494258 DKYFOTQMZMZJHH-UHFFFAOYSA-N 446.986 4.809 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)nc(CCC)n1 1869217666 KHCDWZSSIMFEJA-NRFANRHFSA-N 434.584 4.776 30 10 IJEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1ccc(-n2cccc2)cc1 1870154268 OKQDCXGRHJZEMK-UHFFFAOYSA-N 444.498 4.773 30 10 IJEE CCCCCCCOc1cn(Cc2cccnc2)c(CSc2nccn2C)cc1=O 1870252521 XSJJNISENZCZCS-UHFFFAOYSA-N 426.586 4.667 30 10 IJEE C=CCOc1cn(CCCN(C)C)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870811029 CUVWEHFIQNFNKT-UHFFFAOYSA-N 447.579 4.556 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870861556 JAJBZKBZZXQOFI-UHFFFAOYSA-N 437.927 4.837 30 10 IJEE CCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O 1871385454 TXNDEBGOPXZXAX-MTJSOVHGSA-N 426.465 4.733 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871438774 QPXRYHPDOYEOBV-KSEXSDGBSA-N 431.419 4.662 30 10 IJEE C=CCN=c1nc(Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)[nH]c(N2CCCC2)n1 1871696869 SQYRGAIZQXPICT-UHFFFAOYSA-N 443.580 4.820 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCC 1872151686 ONOCXEFNQXXSTG-JOCHJYFZSA-N 429.586 4.765 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872778972 YLSRSRVYOYOVSO-SFHVURJKSA-N 436.533 4.872 30 10 IJEE CC(C)(C)N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872788023 VSPYGUWNFNQXQC-SMDDNHRTSA-N 436.364 4.940 30 10 IJEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3ccccc3)C2=O)c(C)c1 1873322957 YPGFUJFAEIFVGG-UHFFFAOYSA-N 435.527 4.918 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@H](C)CC)cc2)=C(c2cc(C)ccc2C)C1=O 1873396782 WSKJSJYESFQDKZ-GOSISDBHSA-N 432.520 4.637 30 10 IJEE OCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874234059 PAHSGULYZXCUBD-WPWMEQJKSA-N 441.560 4.664 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(C(=O)O)cc1 1874245099 SVVYOQDAKITAQF-MFKUBSTISA-N 436.581 4.896 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874419561 TWUHQRRWSGOIFH-VULFUBBASA-N 447.564 4.524 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cc(Cl)ccc1O 1874509301 VTXPJKLCGXMBLP-AUEPDCJTSA-N 447.923 4.513 30 10 IJEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)NCc1ccco1 1874577256 FNPVEKLZNWEVOL-ZHACJKMWSA-N 425.868 4.533 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(C)cc2)c1OCC(=O)NCc1ccco1 1874579452 PAZPMTKVXIMHPB-MDZDMXLPSA-N 439.895 4.841 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)NCc1ccccc1 1874595702 ZNIIHRGTDXFMCL-ZRDIBKRKSA-N 435.907 4.940 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2)cc1OC 1875118455 XEUBJHDBSDMLHL-GXDHUFHOSA-N 432.472 4.757 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2ccccc2OCc2ccccc2)C3)OC1(C)C 1879730200 KSSNYPAPCKZOPL-FQRUVTKNSA-N 433.357 4.964 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4cccnc4)cc3)ccc21 1890714080 IEMIQXGLNVIQPH-UHFFFAOYSA-N 427.504 4.939 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1937850858 VYURNMWAKQWXEM-ZDUSSCGKSA-N 445.151 4.701 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(C1)CN(c1cc(Br)ccc1C#N)C3 1965684763 CZZKESKXKWSHKH-OYRHEFFESA-N 432.362 4.548 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2058347580 UEDIOGTULQFZBL-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE CC(C)c1ccc([C@H](C)n2nc(C(F)F)c(C=NO)c2I)cc1 2080001611 LDSBPLLTMJUOBG-JTQLQIEISA-N 433.240 4.966 30 10 IJEE COc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2080021892 BWAASWUNEQJXRQ-KRWDZBQOSA-N 435.309 4.881 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2081876809 OZAMOUGXKFJXJK-GAJHUEQPSA-N 449.523 4.532 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(Br)cc1C#N 2181138698 DYGDKIFQYLCFNY-XJKSGUPXSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(Br)c1 2181140255 YIXBZSFWCMHKDJ-CXAGYDPISA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(C#N)N(CC2CC2)C(=O)OC(C)(C)C)C1 2213336617 OMQSYCGNDZGETH-XLNZFTOWSA-N 433.593 4.953 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)C#Cc2ccccc2Br)CCSCC1 2227474973 TXHYYQLGNYAWHD-UHFFFAOYSA-N 438.387 4.550 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@@H](N)C#Cc1ccccc1Br 2235721749 BMHXWSOWTSZRQN-UGKGYDQZSA-N 429.358 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2248830723 GNHHHDSBXATJRK-KGWSRGFLSA-N 434.541 4.509 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)c1c(F)c(F)c(Br)c(F)c1F 2256035297 WIFSJZOTOKESMD-ZETCQYMHSA-N 426.204 4.658 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2262206196 NSDHUNXTGXNFBK-CZSZKKDXSA-N 447.572 4.703 30 10 IJEE CC1(C)OB(c2cccc(Nc3c(Cl)cc(F)cc3Br)n2)OC1(C)C 2266742992 DMPPGHLPNGWPNI-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2278271983 NGUWBMRWPJRFKB-CJNGLKHVSA-N 445.423 4.867 30 10 IJEE C=CCCC1([C@H](NC)c2cc(Br)nn2C(C)C)CN(C(=O)OC(C)(C)C)C1 2281032070 HDYFCRYVBYWXBX-QGZVFWFLSA-N 441.414 4.690 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2296217291 SNRANDDYHDJMLB-CRAIPNDOSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@H](N)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296222619 UDXNOOLYPVHQCB-XMSQKQJNSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](N)(C#Cc2ccc(Br)cc2)C[C@H]1C1CCC1 2296233652 ZJCOEZBQAVNEKE-SIKLNZKXSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2296298290 ISTNKXIXZSLYOS-AZUAARDMSA-N 435.406 4.720 30 10 IJEE C[C@H](C[C@@H](N)C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296304618 JBSSVWOUFPIZEY-KPFFTGBYSA-N 435.406 4.801 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)CC1(C)C 2296308302 GEDCMVZKVFNUMW-XMSQKQJNSA-N 435.406 4.862 30 10 IJEE COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 2296938676 NDBNRVXRKGIGMS-RUZDIDTESA-N 441.483 4.886 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)O1 2311121753 XUSGRYTYVSYYFJ-XPWALMASSA-N 446.632 4.979 30 10 IJEE COc1ccc(C=C2SC(=NN=Cc3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 2314818132 AJQOVRMDJHTLOT-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE CCOc1cc(C=NNc2cnn(C)c(=O)c2Cl)ccc1OCc1ccc(Cl)cc1 2322630934 NWHMXAOTQIDOHV-UHFFFAOYSA-N 447.322 4.511 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1OC 2323097010 XMHNDOOBDGQNCL-UHFFFAOYSA-N 436.485 4.920 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)OCC(C)C 2323358319 KCXJVDIYQNWLSX-UHFFFAOYSA-N 447.871 4.731 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCCSC)c2)cc1OC 2325703056 IVLOIKKOESTBPB-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE C#CCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2326297952 COCVFKWMJXGNOS-AREMUKBSSA-N 440.584 4.679 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(OC)c(O)c1 2326315487 IUMIEKFGZPUDMA-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc1[N+](=O)[O-] 2326731173 DMHCMVQQRFNHIZ-UHFFFAOYSA-N 443.504 4.851 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(Cl)cc1Cl 2327849683 HVXMYGIQBDTQHW-CYBMUJFWSA-N 440.400 4.694 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)cc1 2328345626 NJITXFKOBHWLDO-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCCO)cc1 2330210323 LITVJIOHJBGHCO-UHFFFAOYSA-N 438.597 4.599 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)cc1OC 2330726993 AYSBNJXYSVJSPN-UHFFFAOYSA-N 439.445 4.789 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(F)c2)cc1[N+](=O)[O-] 2331461704 HTPWUBLRDOBKND-UHFFFAOYSA-N 431.416 4.743 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2360197365 LAVYSOIOMLVISC-HQRMLTQVSA-N 435.406 4.672 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Br)ccc2OC)C1 2364627582 YFFJFWNQOBKSRU-SFHVURJKSA-N 439.394 4.969 30 10 IJEE C[C@@H]1CCC[C@H]1N[C@@H](C#Cc1ccc(Br)cc1)CCNC(=O)OC(C)(C)C 2367594862 RFPBSYDUKREPRQ-LSTHTHJFSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@H](C#N)c1cnn(CC(F)F)c1 2369058475 IPAIDHRWYQDSCE-HNNXBMFYSA-N 441.276 4.917 30 10 IJEE C=C([C@@]1(OCCC(=O)O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1)[Si](C)(C)C 2370745046 SKJMEWCVAVBHRB-NZQKXSOJSA-N 433.621 4.717 30 10 IJEE C=CCCC[C@@H](C)N[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2375579483 HPJAILNQMGSKOX-OTYXRUKQSA-N 425.186 4.907 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OC 2844347 JTRXLBGVOZWXNO-MHWRWJLKSA-N 432.245 4.506 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc3c(c2)CCCC3)S/C1=N\N=C\c1ccccc1 13150184 IHRJXNUVDZFSBF-DHPWMCHXSA-N 431.561 4.658 30 10 IJEE Cc1cc(C)cc(NC(=S)/N=C(/NCc2ccc(F)cc2)Nc2nc(C)cc(C)n2)c1 14156865 UCZMZOBZUCHKER-UHFFFAOYSA-N 436.560 4.804 30 10 IJEE Cc1ccc(N/C(=N\C(=O)c2cccc(N(C)C)c2)NCCc2c[nH]c3ccccc23)cc1 32943341 RUDMVMNRLXAWPL-UHFFFAOYSA-N 439.563 4.983 30 10 IJEE COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OC(=O)c1ccccc1 33286258 JIFSMMBYEDZMGY-QNGOZBTKSA-N 430.485 4.806 30 10 IJEE O=C1N/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@@H]1Cc1ccc(F)cc1 39888271 MZIWTGFPNHIPHU-QVHMZZSFSA-N 427.888 4.903 30 10 IJEE CCCCCCn1c(O)c(C(=O)COc2cc(C)c(Cl)c(C)c2)c(C)c(C#N)c1=O 40527234 CQDCSBKZONTYCS-UHFFFAOYSA-N 430.932 4.846 30 10 IJEE CCOc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)cc1 57999381 WQQNRQMMYAWPLF-JQBIEYAESA-N 431.945 4.637 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 63400361 BTKFXVNWJVEWAY-NRFANRHFSA-N 442.585 4.827 30 10 IJEE Cn1c2ccccc2c2nnc(N/N=C/c3cn(Cc4ccccc4)c4ccccc34)nc21 64981597 IHUUIADZBFKSNQ-JFLMPSFJSA-N 431.503 4.966 30 10 IJEE CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(CC)C2=O)c(OCC)c1 100939215 BCTHIIVRUQCRDY-RLYGRLLTSA-N 440.521 4.806 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC)cc1 169965740 YAPOXISRVJGEBI-HSZRJFAPSA-N 448.519 4.504 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)cc1 169966201 LYWAJNXEJCTDOP-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(C)c1 169967429 QGNGXUCHNHYVEL-OAQYLSRUSA-N 448.544 4.855 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccncc2)cc1 170020147 UZIQOWGSNWDFSN-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2C)c1 170275642 VQVRPEDQNBWOTJ-OAQYLSRUSA-N 443.927 4.662 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccco1 170287853 JLPIOUIAXCTMQZ-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1sccc1C 170319288 OWWAIJKTVXUALU-LJQANCHMSA-N 429.538 4.842 30 10 IJEE COc1cc(C=Nc2ccc(N3CCOCC3)cc2)ccc1OCc1cccc(C(=O)O)c1 254815730 CYRHHFSCAYXIIS-UHFFFAOYSA-N 446.503 4.560 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(Cl)c1 426160880 LXYRSFFDHABFKR-OAHLLOKOSA-N 425.851 4.812 30 10 IJEE N#CC1CCC(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 442117187 MGIDESNGGZJYHW-UHFFFAOYSA-N 431.515 4.808 30 10 IJEE C=CCn1c(SCC(=O)[C@@H]2Cc3ccccc32)nnc1-c1ccc(Br)cc1 475968259 RRNXQBFHBWVJHD-GOSISDBHSA-N 440.366 4.895 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 476120086 JTDDYZCNFUSXHU-LJQANCHMSA-N 444.572 4.717 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCc2nnc3ccccn23)cc1Cl 489516767 QZGHVMKCIHUIMY-HXUWFJFHSA-N 444.926 4.792 30 10 IJEE C=CCOc1ccc(-c2nnc(SCc3nc(O)c4c5c(sc4n3)CCC5)o2)cc1 489753227 GURMDTRKNAYUIH-UHFFFAOYSA-N 438.534 4.793 30 10 IJEE C=CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1nc(C(=O)OCC)cs1 513478705 YIAHQZCUNGDVFG-UHFFFAOYSA-N 447.516 4.603 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(O)c2)cc1OC 526487425 XZXUMBADGPRVSZ-XMMPIXPASA-N 442.471 4.728 30 10 IJEE N#Cc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 526675795 JWWORLWFDBYOOT-UHFFFAOYSA-N 429.863 4.573 30 10 IJEE C[C@H]1CCCN(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)C1 526689364 QGYQEHHICHYIHP-HNNXBMFYSA-N 437.952 4.821 30 10 IJEE COc1ccc(Br)cc1/C=N\n1cnnc1SCc1ccc(C)cc1C 526810761 KYOVOKVNICICEQ-YVNNLAQVSA-N 431.359 4.841 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2/N=C\c2ccc(OC(C)(C)C)cc2)o1 526831947 ZEYOURVYANQLSS-MSXFZWOLSA-N 442.541 4.788 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 549281491 YXWGLOCRFDNWLP-FGZHOGPDSA-N 435.572 4.796 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H](OCC(F)(F)F)C2)nnc1C(F)(F)Oc1ccccc1 549321686 IJWSAPPBAGDAFY-INIZCTEOSA-N 446.420 4.530 30 10 IJEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 578560645 ZOKJLVOZTSTGRY-IBGZPJMESA-N 448.523 4.512 30 10 IJEE C[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12)c1cccc(C#N)c1 587719419 PYAIEKQHOPLLIB-NIYFSFCBSA-N 433.511 4.794 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCCCCCNC(=O)OC(C)(C)C 698108142 ZWEDWWYLZLTRHO-UHFFFAOYSA-N 439.394 4.636 30 10 IJEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 732595992 GOZDIFHUCVPQJP-YTFSRNRJSA-N 440.499 4.725 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc2ccc(SC(F)F)cc2s1 779716252 WOEWKXDJHMBNJE-SFHVURJKSA-N 427.498 4.811 30 10 IJEE C=CC[C@@]1(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)CCCN1C(=O)OC(C)(C)C 791721078 WISYMVXWEVLJME-QFIPXVFZSA-N 447.919 4.779 30 10 IJEE C#CCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 799219649 WFNNMRWXFPKYTB-NRFANRHFSA-N 431.492 4.572 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3)n2)cc1 1084271621 LGGOHTFYRNYXLA-OAHLLOKOSA-N 438.557 4.504 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccccc2Cl)n1)C1C2CC3CC(C2)CC1C3 1084555166 AZCOMLQQSLYVNR-UHFFFAOYSA-N 429.977 4.638 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(F)cc1 1084591960 POSVUGJENUGTHQ-HNNXBMFYSA-N 426.300 4.723 30 10 IJEE C=CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)cs1 1124413754 OORNHZRMMMKBEO-GOSISDBHSA-N 440.569 4.916 30 10 IJEE C#CCN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@@H]1CCOc2ccc(Br)cc21 1126151652 RWNBGWUVJREIHN-LJQANCHMSA-N 443.341 4.621 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc1OC 1128751549 ZVFFZSWBMRUNRF-BDTRIDPISA-N 446.316 4.847 30 10 IJEE C=CCCCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 1128845578 ZVZBKDVLODUVGO-UHFFFAOYSA-N 427.010 4.771 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3sc4cccc(C)c4c3Cl)c2C#N)C1 1131405351 DQFPLVSULTVUJU-UHFFFAOYSA-N 429.954 4.953 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1cccc(Br)c1 1141514721 BLLDHVZWAONIAU-INIZCTEOSA-N 445.785 4.834 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 1155100518 JCQNNMSEXRKZRM-GOSISDBHSA-N 429.904 4.773 30 10 IJEE COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 1168871907 DZGIRTKSAYUPFK-SANMLTNESA-N 429.564 4.800 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1CC(=O)OC(C)(C)C 1171734268 DKXNMNUYKQHQCW-MSOLQXFVSA-N 431.602 4.606 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 1186067944 CIWVRRZJIIIQFH-UHFFFAOYSA-N 426.582 4.803 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2cnc3sc(C(=O)OCC)c(C)c3c2)CCCC1 1192467115 DGGMDTGVOXSAEK-UHFFFAOYSA-N 436.599 4.586 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC(C)(C)COc2ncccc2Br)c1 1199787777 XXFRZQDJHLIHNT-UHFFFAOYSA-N 434.334 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCCSc2ccc(Br)cc21 1227478400 BCSYWJKJAMRCKQ-QBIMZIAESA-N 425.392 4.657 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccc(Br)cc1 1230499456 WYZGEGVGOCZDSV-FXAWDEMLSA-N 437.341 4.937 30 10 IJEE C=CCCC1(CNC(=O)N2CCCN(Cc3csc([C@H](C)OC)n3)CC2)CCCC1 1230929420 ZBTZVWTXAXIUMR-IBGZPJMESA-N 434.650 4.594 30 10 IJEE C#C[C@H](NC(=O)N(C[C@H](O)COc1ccccc1SC)C(C)C)c1ccc(Cl)cc1 1252448580 JBYFFRTTXMKWCS-PMACEKPBSA-N 447.000 4.596 30 10 IJEE Cc1cc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)ccc1-n1cncn1 1265165017 CVMWDFARKMQZJI-UHFFFAOYSA-N 427.895 4.948 30 10 IJEE COc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)C[C@@H](C)C[C@H]4C)n2)cc1 1273946547 HUFFAOCGINQFPK-UONOGXRCSA-N 436.537 4.935 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](SCC)C1 1286356589 KMMDEHCOSSKCTC-QFIPXVFZSA-N 426.630 4.999 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cc(C(CC)CC)no1 1286363579 PBTSEECNBXLWHM-INIZCTEOSA-N 425.508 4.567 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1Cc1ccc(-c2ccsc2)nc1 1286446849 JTXNBUFAXDWDKL-UHFFFAOYSA-N 427.577 4.809 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)CCC 1286517390 GPIZFJJFMXHPHZ-YADHBBJMSA-N 445.405 4.559 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1ccco1 1286536457 ZVWMJBHRHRSOMX-QGZVFWFLSA-N 429.318 4.797 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1286614109 LDFNXFOPYXUDEB-RTBURBONSA-N 433.021 4.909 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1286653510 ASXICUYLHPRFTD-UHFFFAOYSA-N 447.549 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCCCC2)C1 1286666731 DTPCSKHGJWAXCX-NRFANRHFSA-N 438.576 4.520 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCN(C2CC2)CC1 1286714398 OTSPNTGCUHASDE-KRWDZBQOSA-N 429.996 4.568 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@]1(O)CCC[C@H]1C 1286714680 SMWWRCXQYLQNQY-STSQHVNTSA-N 432.996 4.862 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1C)C1CC1 1286734577 SGFXFWLRYWDGKF-UHFFFAOYSA-N 426.362 4.856 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2cccc(F)c2[C@H]1C)C(C)C 1286751954 OYBJKBNUOUXLHS-DENIHFKCSA-N 425.596 4.802 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCSC1 1286765158 BJEBINGYUPNHQX-AWEZNQCLSA-N 427.401 4.644 30 10 IJEE C=CCSCCn1c(N2C[C@@H](C)S[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1286834402 DFWBBVPKRJJAJZ-RTBURBONSA-N 428.671 4.998 30 10 IJEE C=CCc1ccc(OCC(=O)N(c2ccc(Cl)cc2C)[C@H]2CCO[C@@H]2C)c(OC)c1 1288051804 VJORKWYXKUHCDH-UTKZUKDTSA-N 429.944 4.975 30 10 IJEE C=CC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccncc1 1293576155 CYIQQMGWEIRVHO-LEWJYISDSA-N 435.524 4.697 30 10 IJEE CCCN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(Br)cs1 1294483174 BFLWJODEYKREAR-UHFFFAOYSA-N 430.375 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H](c1cccnc1)C(C)C 1300324247 BZJULFIOYMLXMN-NZQKXSOJSA-N 431.584 4.712 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1300370853 FTIXQZSFVZICSV-XMMPIXPASA-N 425.665 4.763 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1300510739 ADIAIKIVYTUFFD-VXNXHJTFSA-N 432.612 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCC(C)CC1 1300813937 WESOLOPFDFJNFQ-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(F)(F)F)C1 1300890019 SKZLRROPNHVETG-URVUXULASA-N 448.533 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](c1cccnc1)C(C)C 1300907897 STNLRJCFCKZJBQ-NRFANRHFSA-N 433.556 4.911 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)CC[C@H]1C 1300971460 AGSQUEHFKSMKEQ-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1C(C)C 1300979487 ASRDQOFRCUTGTJ-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1300999469 COZFLBBJTIRIBE-FIDNPTQWSA-N 438.616 4.982 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cccc(C)c2)CC1 1301069946 IKINOQZJTYKQEM-UHFFFAOYSA-N 440.389 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](Cc2ccccc2)C1 1301159902 IOGDMYGULZBGMW-QHCPKHFHSA-N 432.616 4.811 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1301166103 PMGIIPUASBVWLB-DEOSSOPVSA-N 449.643 4.990 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@]2(CC=CCC2)C1 1301241093 NDLXYHGTNOYBJR-XMMPIXPASA-N 437.544 4.773 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1301303019 RMPQUSYBCZZUAS-UHFFFAOYSA-N 433.368 4.555 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1Cc1cnn(CC)c1 1301354453 AKQABJLWXKZHAB-UHFFFAOYSA-N 436.560 4.527 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1OCCC1(C)C 1301359472 KMHNADRGVVXKHE-NRFANRHFSA-N 433.581 4.886 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCCCCC1)C(C)C 1301366641 GPEHNDXMJQFVCF-PKTZIBPZSA-N 429.653 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccc(Cl)cc1 1301379444 KREKPDGLXRAVDF-UHFFFAOYSA-N 430.339 4.904 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccsc1)N(C)C 1301397644 ZMACKAKXLBDOTM-NJDAHSKKSA-N 443.661 4.740 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccns1 1301846532 IXJCDYGUEUCTSV-NRFANRHFSA-N 433.533 4.955 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cc(Br)ccc1OC 1305476659 IEDGVJVRKYWDMA-VFNWGFHPSA-N 446.393 4.741 30 10 IJEE C=CCN(C(=O)CN(C)[C@H]1C[C@@H](OC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1307758327 QRZQGZWIRNFXCY-GASCZTMLSA-N 440.396 4.745 30 10 IJEE COC(=O)c1cccc2c1CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 1310362546 CBVAXKBUOUCDCT-UHFFFAOYSA-N 445.450 4.866 30 10 IJEE C#CCC[C@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1311347739 GJKVWMFNKZUNLZ-QFBILLFUSA-N 444.362 4.680 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 1311664851 FPHYQBWBCYVBLV-NRFANRHFSA-N 426.944 4.610 30 10 IJEE C#CC[C@H](NC(=O)NCc1ccc(I)c(Cl)c1)c1ccccc1 1312322234 PPOULQXXCYHSKE-KRWDZBQOSA-N 438.696 4.508 30 10 IJEE C=CCOCCCNC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1312795053 KXDBBDGWOAKSME-SFHVURJKSA-N 433.549 4.528 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(Nc3ccc(SC(F)F)cc3)sc2=S)C1 1323715534 NQCJQONBPPVEJP-CYBMUJFWSA-N 430.571 4.967 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)c(C)cn1)c1ccc2c(c1)OCCO2 1351532386 QVCWXSQIFQIWLS-UHFFFAOYSA-N 430.504 4.881 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNc1ccccn1 1359003853 ZMVWWZWDOQVDKA-UHFFFAOYSA-N 434.613 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](F)COC 1359109128 QFYVGJXMZMBHTH-AWEZNQCLSA-N 445.764 4.748 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](COCC)C1 1359128821 GTPJNSZTAJHCPP-KRWDZBQOSA-N 436.959 4.583 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)CC(=O)NC(C)(C)C 1359183800 UMXZYVZWGSQLCD-HXUWFJFHSA-N 425.621 4.773 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1359191894 OSFJPYQXJKSBJV-QFIPXVFZSA-N 429.565 4.623 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)C2CC2)CC1)c1ccccc1 1359194417 VBUKDVMIBDJBKR-OFNKIYASSA-N 435.616 4.600 30 10 IJEE C=CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(C)C)C1CC1 1359250023 YTHMLZUOCGUCJT-UHFFFAOYSA-N 434.588 4.827 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(F)cc2C(F)(F)F)C1 1359311892 KNNZVRVPSRHNSI-WMLDXEAASA-N 426.458 4.779 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c1 1359866970 GCCJVCLAZWXCSP-UHFFFAOYSA-N 436.471 4.668 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C)n2)s1 1361250899 CYNUSCFHCWZPDQ-UHFFFAOYSA-N 434.594 4.831 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)s1 1464133093 ODRZMLAIEZHYHB-UHFFFAOYSA-N 447.608 4.624 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)n1ccc2ccccc2c1=O 1464717957 HGZPFMAJDNLKPX-OAHLLOKOSA-N 443.316 4.679 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@@H](OC)c1ccc(OC)cc1 1466816711 LRADUBUUXAHUBO-JLTOFOAXSA-N 449.345 4.920 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)COc1cccc(F)c1 1468192888 VWIBAEBYBIDVFG-AWEZNQCLSA-N 439.300 4.892 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1468823983 OTXMUKYHTJGCAJ-LJQANCHMSA-N 433.474 4.604 30 10 IJEE C=C(C)[C@H](NC(=O)N(C)C[C@H](O)c1cccc(Br)c1)c1ccc(F)c(F)c1 1469854319 RCAGHKDPYOELAZ-OALUTQOASA-N 439.300 4.720 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCc2c(Cl)ccc(Br)c2C1 1470068149 APQGBOGHXDAEIT-LJQANCHMSA-N 430.733 4.729 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cnn(-c2ccccc2Br)c1 1476296429 BCXRVDYCNCATIZ-UHFFFAOYSA-N 429.293 4.994 30 10 IJEE N#Cc1cc(NC(=O)NC[C@H](c2cccs2)N2CCOCC2)ccc1Oc1ccccc1 1476463111 DBKGIDGQIKYCLJ-OAQYLSRUSA-N 448.548 4.607 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@@H]1C(C)C 1507517369 HCQGPSPERGUTFI-UWUFEASWSA-N 445.611 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H](C)c1ccccc1 1507519493 IAVSYDVMPWPJLW-DLBZAZTESA-N 440.389 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCN(C(C)C)C(C)C 1507523778 RQTUCCDERGYPLE-GOSISDBHSA-N 446.437 4.674 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1csc(C(C)C)n1 1507679142 HBYHCLGPIMIZJP-QGZVFWFLSA-N 441.576 4.839 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](SC)C(C)(C)C 1507701426 GOTFMZJTZQDHRP-CTNGQTDRSA-N 444.620 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](c1cccs1)N(C)C 1507769399 FAYKTZLLXYLKBU-PXDATVDWSA-N 449.624 4.522 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(Cl)c1 1507822541 CHBFYAPZDBLPDA-UHFFFAOYSA-N 434.769 4.912 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCCc1ccccn1 1507827069 RIKWIPMJESFOQR-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1507845735 OIVXRCSOOKYPLO-RBUKOAKNSA-N 430.543 4.756 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cccc(C)n2)CC1 1507876405 FTOXEIGTDPQJOF-UHFFFAOYSA-N 444.583 4.640 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(F)F)C1)c1ccccc1 1507924322 LLWOUZVRGHBOIE-RTBURBONSA-N 426.515 4.520 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1507924624 QDBCRHBYCRWYIQ-GOTSBHOMSA-N 431.584 4.951 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OC)C1)c1ccccc1 1507929268 OTRINWWDUVFJPZ-RBBKRZOGSA-N 437.613 4.609 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(C)c2C)CC1 1507931052 PVAZBPVTERJQAD-UHFFFAOYSA-N 430.600 4.948 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(CCCO)CC1 1507939475 NQNXDBZSWKXNHL-UHFFFAOYSA-N 433.394 4.663 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nccs1 1508012327 VZVPZQBQHSRFPR-UHFFFAOYSA-N 434.338 4.530 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@@H](C)[C@@H]1C 1508046588 CIYVERBTZMZLIX-RYUDHWBXSA-N 427.799 4.877 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC=CCC2)C1 1508113485 GRRGDFJKYLBBQG-XLIONFOSSA-N 443.389 4.845 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCSCc2ccc(C)cc2)C1 1508117817 SGFZEYYSAYJWET-OAQYLSRUSA-N 438.597 4.870 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC[C@H](C)C2)C1 1508119272 ZRZSQXBPKMYOIK-PSHVLCQKSA-N 428.552 4.775 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CC(F)(F)F 1510260041 BDSHBZBSXNPLOI-ZDUSSCGKSA-N 427.858 4.764 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)[C@H]1C 1512284536 GPPKQBDDDUUXGP-KBPBESRZSA-N 442.386 4.924 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 1515554147 YXXRXVPUBSEMKH-NRFANRHFSA-N 438.527 4.918 30 10 IJEE C#CCN(C(=O)c1ocnc1-c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1529626977 HVMGLFVDKREMDN-SFHVURJKSA-N 437.293 4.703 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)c1 1529919000 RQYDVDBMUGQZKH-UHFFFAOYSA-N 435.520 4.836 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1530327436 ZUZJYKGAQYYRFN-GHRIWEEISA-N 443.469 4.641 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)C(F)(F)F)cc1 1532570219 NNXHKXHWCBABOL-GOSISDBHSA-N 437.780 4.810 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)/C=C/c2ccc(C(=O)OC(C)(C)C)o2)cc1 1535140686 GBGIVYKGLZNJGJ-FYWRMAATSA-N 436.508 4.701 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1535519400 FQRWRSFQRZZJPZ-AREMUKBSSA-N 447.535 4.670 30 10 IJEE CCc1ccc(CN2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)cc1 1536906521 CCMIGSFDULIODS-UHFFFAOYSA-N 439.559 4.658 30 10 IJEE Cc1ccccc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCC[C@@H](C)C1 1537747280 BUFORSPMYWALOK-PVFWEKFRSA-N 429.564 4.903 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCSC3(CCC3)C2)nnc1-c1ccc(Cl)cc1 1538862426 JJGFWZJLYOZKRS-KRWDZBQOSA-N 449.045 4.811 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1539278747 KLRRMBPUTIJOPV-WMZHIEFXSA-N 443.016 4.644 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)CC[C@H]1C 1539580197 HURAKZIEWWDDMD-GDBMZVCRSA-N 441.377 4.869 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1539967735 LHPOUTDVPLJXJB-UHFFFAOYSA-N 429.568 4.720 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1539981815 NRQSCEOQVVHSAG-IAGOWNOFSA-N 436.398 4.642 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1539990027 CKAUBZKHWRXGGK-QGZVFWFLSA-N 444.505 4.532 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1c(C)noc1C)C1CC1 1540098864 KJAYBHZZCRYINM-UHFFFAOYSA-N 429.471 4.549 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1ccc(F)cc1)C1CC1 1540112320 VSBUDOZYNKLLEH-UHFFFAOYSA-N 425.577 4.906 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1Cc1cccnc1OCC(F)(F)F 1540127733 ULJIWROGESQZRE-UHFFFAOYSA-N 445.489 4.979 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC1(N(C)C)CCCCC1 1540134562 UYUJBLRATKNJSP-UHFFFAOYSA-N 448.590 4.936 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)NCc2cccc(OC(F)(F)F)c2)c1 1540224694 CRJGFVJWXHMGHZ-UHFFFAOYSA-N 426.394 4.966 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1540856170 XQXNLHXFBMYKFP-FQEVSTJZSA-N 437.357 4.674 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1 1541491961 BBPDSWFNXRYUBK-URXFXBBRSA-N 441.645 4.582 30 10 IJEE CCc1nnc(N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c(C#N)c1CC 1559096312 HEBRPSSUCGZOIJ-UHFFFAOYSA-N 444.514 4.819 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CCC)c2ccc(Cl)c(Cl)c2)c1 1561175382 MLFLIADIVZAYMM-LJQANCHMSA-N 441.380 4.729 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H]2COc2ccc(F)cc2)n1 1562538152 HIRADTGWBZPQLQ-SFHVURJKSA-N 439.878 4.612 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1Cc2cnn(-c3ccccc3)c2C1 1562929133 IDAWSRZCGXAYMI-UHFFFAOYSA-N 439.313 4.747 30 10 IJEE C=CCCCCCCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1564884681 UNVBDTCOBMISNW-HXUWFJFHSA-N 437.625 4.618 30 10 IJEE C=CCc1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC 1586674351 WLFSZPFUHVELLQ-UHFFFAOYSA-N 435.351 4.702 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)CC#N 1587718609 KBGBSGFSNZZTPD-CQSZACIVSA-N 434.769 4.903 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1OC 1587777970 XJOKGYOVKGUYGR-OAQYLSRUSA-N 435.597 4.787 30 10 IJEE C=CCc1cc(C(=O)OCc2ccc(Br)c(F)c2F)cc(OC)c1OC 1588295323 KSRDOGKCEWELRQ-UHFFFAOYSA-N 427.241 4.830 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@](C)(OC)C1 1589316367 AJDGSCHTBKJAFB-HXUWFJFHSA-N 431.334 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H](F)c1ccc(Br)cc1 1589641739 ODBKDWRDQZPACF-SFHVURJKSA-N 447.356 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(SCC)c2)CC1 1594218870 WRMXEYRFGZIEKI-UHFFFAOYSA-N 430.581 4.774 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1594644935 HQRAVYAFXNXTNL-UHFFFAOYSA-N 432.616 4.955 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)Cc1csc(Br)c1 1595905994 VKQQUCCQIPVVLV-CQSZACIVSA-N 443.436 4.509 30 10 IJEE Cc1c(O)nc2ccccc2c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 1597171303 WUNVKTYJJZYPRH-UHFFFAOYSA-N 433.518 4.517 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1613893499 ICFUULUUQDIHDV-FQEVSTJZSA-N 445.615 4.596 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)s1 1617553538 WOJRNWMEIIHYIP-QFIPXVFZSA-N 448.654 4.566 30 10 IJEE N#Cc1ccc(CSCC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1 1618572678 FYZZQCOAVIXQMX-LJQANCHMSA-N 447.423 4.947 30 10 IJEE COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cccc(C)c1C#N 1621709845 IECACGFYOZDCEC-HXUWFJFHSA-N 434.561 4.697 30 10 IJEE C#CCCN1CCC(NC(=O)C2(c3ccc(C)cc3Br)CCCCC2)CC1 1628691354 ULDWEDUWVGSCBC-UHFFFAOYSA-N 431.418 4.563 30 10 IJEE C=CCC[C@@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1640587804 ATPMWEBJQJUVFN-KRWDZBQOSA-N 441.369 4.973 30 10 IJEE C=CCn1c(C)cc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2CC=C)c1C 1640683556 GBGSJTUZCCBXOE-UHFFFAOYSA-N 427.595 4.840 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)c1ccccc1 1641939605 ROEHFOPZQLXNPO-UHFFFAOYSA-N 436.533 4.637 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)oc2C)nc2sc3c(c2c1=O)CCCCC3 1643346485 GBFJHLMJVGPNAC-UHFFFAOYSA-N 444.578 4.893 30 10 IJEE CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)c1C 1644726574 IMSADMVWWPCRMV-UHFFFAOYSA-N 432.329 4.539 30 10 IJEE C#Cc1cccc(N(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)Cc2ccccc2)c1 1644927971 ONOBTIWDAPMAKI-UHFFFAOYSA-N 427.460 4.581 30 10 IJEE Cc1ccc2nc([C@H]3CCCN(CC(=O)N(CCC#N)c4ccc(C)c(C)c4)C3)[nH]c2c1 1654045871 AAIVXVVKUJWNSA-NRFANRHFSA-N 429.568 4.614 30 10 IJEE CCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1)S(=O)(=O)N(C)C[C@H](C)C#N 1654231517 HRZWXCPQWOXFAG-QGZVFWFLSA-N 433.643 4.871 30 10 IJEE C=CCn1c(SCc2csc(C(=O)OC)c2)nc2sc3c(c2c1=O)CCCC3 1656067802 WDYNPOXUALRNRL-UHFFFAOYSA-N 432.592 4.663 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C(=O)OC(C)(C)C)cc1 1656154412 ILMVMVVKRBBFBV-UHFFFAOYSA-N 442.629 4.740 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C(F)(F)F)nn1C 1663558971 HHEXYTABLPGFLV-UHFFFAOYSA-N 435.219 4.561 30 10 IJEE C#Cc1cccc(NC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c1 1667090299 PLIMHBZLGLDDKP-FQEVSTJZSA-N 425.573 4.949 30 10 IJEE C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 1669072642 HKNGSAYMKLYSTM-MUUNZHRXSA-N 442.559 4.797 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1 1669088948 DZGTVVOQGHVCJT-UHFFFAOYSA-N 445.342 4.854 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCC(n3cc(Br)cn3)CC2)c1C#N 1671685813 DZORCJBKCAMSER-UHFFFAOYSA-N 436.379 4.745 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](O)c1c(F)cccc1Cl 1672209623 HIPBYYMESDUHKZ-HNNXBMFYSA-N 443.700 4.662 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(c4ccc(Cl)c(F)c4)C[C@@H]3C)cc2n1 1674577027 VQHPOSOEJHLFLU-HNNXBMFYSA-N 427.911 4.757 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1674581484 DUGAVZVTBLUGCG-HNNXBMFYSA-N 427.220 4.521 30 10 IJEE C#CCC1(NC(=O)NCCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CCCCC1 1683053860 IZNQEZSZOWUEJW-UHFFFAOYSA-N 447.579 4.580 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C 1686959733 WYYQBVRZOSZRDO-UHFFFAOYSA-N 437.584 4.994 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](SC)C(C)(C)C 1690003550 QGVYOANRCXJUOY-QFIPXVFZSA-N 431.609 4.652 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccoc1C 1690251707 YDTXOVXORBLAAW-UKILVPOCSA-N 434.584 4.972 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1690335604 CBVDJLZYTLXMQX-FQEVSTJZSA-N 430.911 4.688 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CCc2ccccn2)CC1 1690369347 HACQHUFOCDTAKA-UHFFFAOYSA-N 447.583 4.927 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1690516024 ZHLGPLHPYSGHJN-HNNXBMFYSA-N 429.565 4.982 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1noc2c1CCCC2 1690555901 HDQGMHOPWPPOCU-UHFFFAOYSA-N 449.599 4.983 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCN1CC 1690576063 LRZQPCMLGHUXPM-QFIPXVFZSA-N 446.624 4.945 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccccc1Cl)N(C)C 1690591104 HYFFLXLXULSVNY-JOCHJYFZSA-N 436.991 4.783 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1705541312 FLSXWSGERUEFTB-MPQSDHOMSA-N 428.552 4.610 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@H](F)C1 1705592777 TYTBSEZRFASPNO-RTWAWAEBSA-N 446.526 4.718 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCc1nc2c(s1)CCCC2 1705608999 MIONNUFTDSSJNI-UHFFFAOYSA-N 425.989 4.636 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H](C)CC1 1705653327 FFTPZECSADIEAW-UXHICEINSA-N 442.629 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC1(CCOCC)CCCC1 1705671430 JYTFOSBIUWHNQQ-RUZDIDTESA-N 436.600 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC(C)(C)c1ccccn1 1705677395 NBPPWQRWWPPJMP-AREMUKBSSA-N 429.568 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CCc1ccc(OCC(F)(F)F)nc1 1705712516 WPTPMNBFUPMECR-UHFFFAOYSA-N 449.477 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CC(=O)N(C)C1CCCCC1 1705713462 HFLHSTSZHBEEFN-UHFFFAOYSA-N 446.599 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCO[C@H]2CCOC2)CC1 1705765491 OMDXRFKZAXQYSJ-KRWDZBQOSA-N 437.371 4.604 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCCSC)C1CC1 1705851652 NGLHEQDRTFDTDO-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CC[S@](=O)C(C)(C)C 1705868141 CKRQGAMNFBGOFA-LJAQVGFWSA-N 448.683 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCc1nccs1 1705873011 UACDGEMRUWDWFT-UHFFFAOYSA-N 430.375 4.585 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccccc1N1CCCCC1 1705885425 QZQCGQONGBPQQM-UHFFFAOYSA-N 425.621 4.544 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@H](C)CC#N)C1 1708062265 FFYAOKVRFPZXGF-QZTJIDSGSA-N 429.012 4.847 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCn1ccnc1C 1709736202 DFVQZZWBNXSRHG-UHFFFAOYSA-N 445.596 4.543 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(OC)CCC(C)CC1 1722373313 LVQMOQFKYRGQFQ-CFNGCBKDSA-N 448.611 4.703 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(Cl)nc2)CC1 1722572262 OGJQNAJXEQQEMA-UHFFFAOYSA-N 441.988 4.832 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCCOC(F)F)CC1 1722576833 PUGGEXXHWHSLMU-UHFFFAOYSA-N 441.320 4.739 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCN1CCC 1722659679 ZGSDPMFREVZOJD-RPWUZVMVSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)c(F)c1 1722663898 KSDWGTAYEFQGNR-QGZVFWFLSA-N 430.524 4.557 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)cc(OC)c1 1722664290 VUIVGGOWESKSHS-NRFANRHFSA-N 442.560 4.970 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1722691272 QVRWMLMCHSRTHS-MBOZVWFJSA-N 430.980 4.694 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2[C@@H]2C[C@H]2C(C)C)C1 1722714081 GGXSMCOFLVZBNJ-HHXXYDBFSA-N 431.378 4.706 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](COCC)C1 1722734797 JFBJHYKRJHOAAZ-ROUUACIJSA-N 446.686 4.913 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCSC1 1729350979 DIIAGNQUPKPALK-SGDIKTSBSA-N 439.629 4.742 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CCC)C1 1740577978 VEFKHFRQEGXOHN-QHCPKHFHSA-N 438.616 4.963 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(Cc1ccco1)C(C)C 1740757367 VLBLYJIGGVZUIE-NZQKXSOJSA-N 436.556 4.943 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1740779385 DJBZSAGDKIVGSZ-IBGZPJMESA-N 444.421 4.657 30 10 IJEE C=C(Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CCC)c1ccccc1 1740798296 FOVHCJAMEVRMBJ-NRFANRHFSA-N 445.615 4.790 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 1740801557 CLFSHVXZUWLTLB-HNNXBMFYSA-N 427.980 4.605 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCc2csc(C)n2)CC1 1740821483 KWWMJZHHRDNINS-UHFFFAOYSA-N 444.402 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1740901067 BRUPKSYZMYLUTC-KDURUIRLSA-N 446.039 4.987 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)c1nccs1 1740916830 YPFBFZWUYRXWRF-GHTZIAJQSA-N 448.596 4.844 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC1CCN(CCC)CC1 1740919830 TWKFDXPHLVZOQS-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1Cc1ncnn1C(C)(C)C 1740919970 YQEVIOOKKUXNEI-UHFFFAOYSA-N 449.534 4.573 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)N(C)C 1740934547 JGLCQGUJERFFEO-FQEVSTJZSA-N 444.583 4.580 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[C@H]2CC)C1 1740978165 PCPATSBOZPXYHU-SVFBPWRDSA-N 440.588 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1nc(C)c(C)s1 1748688081 XTMOVIXMHSKLMJ-CQSZACIVSA-N 446.045 4.998 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccco1 1748751146 TYOPLYXZXGIRHC-RBUKOAKNSA-N 441.576 4.596 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCCc1ccnc(C(C)(C)C)n1 1748945209 NFFVESCNUPRCPO-UHFFFAOYSA-N 446.574 4.655 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC[C@H]1C 1748951450 VMOQNESWOKUEGV-NFBKMPQASA-N 445.611 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1C[C@H](F)c1ccc(Br)cc1 1749072860 ZYGCNIZSZFEJAU-GHTZIAJQSA-N 431.353 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCOC1 1749122071 SOGOQGRQPHBERM-LSWJPFSZSA-N 438.616 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1749146826 OJBYQNIKYJZWPZ-REWPJTCUSA-N 430.980 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1749163519 MHXXYBVLTGBUSO-WIYYLYMNSA-N 431.650 4.878 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)c2nc(C)cs2)CC1 1749311650 VNLWNMBUSVRUPP-QGZVFWFLSA-N 439.585 4.591 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCc1ccncc1)C1CC1 1749510223 BWECTOQAYFTOKP-UHFFFAOYSA-N 430.375 4.562 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@@H]1C(C)C)C1CC1 1749510658 NOLVFTCRTIJHCR-YLJYHZDGSA-N 432.515 4.762 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCC1(C)C 1749560145 GWSSIVJHDUNQNU-LJQANCHMSA-N 442.007 4.866 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1749746617 JASAAPVZAQFLQC-MOPGFXCFSA-N 436.984 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(Cl)nc1 1760108158 ZHQLLLCJGOXRPQ-KRWDZBQOSA-N 447.926 4.672 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760213735 NXEDQFRMNDUNLV-KOUNCHBCSA-N 432.612 4.909 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1760322407 SFGJSJAIFFLTPN-XUZZJYLKSA-N 436.600 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)N(CC)CC 1760332031 SSZRDIZYOJDKJJ-QGZVFWFLSA-N 434.426 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCc1cccc(C)n1 1760338181 FFAVCZZTPQUTRB-UHFFFAOYSA-N 425.527 4.886 30 10 IJEE C=C(C)Cn1c(N2CC[C@@H](C)C3(CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760349223 DUGSJOHODJPQBY-QRVBRYPASA-N 429.609 4.641 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1cccs1 1760367342 HVWCXODFPZGFGO-UHFFFAOYSA-N 426.771 4.876 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC[C@@H]2CCOC2)CC1 1760384538 BKQSGEPZEYFROP-NRFANRHFSA-N 438.616 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760409936 NIZGESVZRIBZNW-SFHVURJKSA-N 442.007 4.792 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1760436846 IENRYQCJHNHSII-DOTOQJQBSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CCC1 1760488045 KFNINAAKXCCLEZ-UHFFFAOYSA-N 442.658 4.680 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@@H](C)C1 1760504645 XALCZURPYITZNG-HOTGVXAUSA-N 439.387 4.706 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760506765 LWDLEBBSIFJIRL-QRVBRYPASA-N 432.012 4.793 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760508251 QBJYDVXZXGZIBB-OAHLLOKOSA-N 447.406 4.610 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C#N)c1 1761371478 DDOHVKLMOKHONI-LJQANCHMSA-N 442.592 4.712 30 10 IJEE CC(C)(C)c1csc(Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1761544562 GYYRDMDNHAQMHR-QHCPKHFHSA-N 426.634 4.943 30 10 IJEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1761997013 DOQFPZGVWPSOLV-IBGZPJMESA-N 440.661 4.659 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F)SC 1762144102 FJRHIJBEKNVGSY-UHFFFAOYSA-N 441.523 4.649 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)SC 1764021462 DPELFQNIYCQDCM-RTWAWAEBSA-N 439.629 4.744 30 10 IJEE CCOC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1765747210 GFQHIBOWABRAER-SBUREZEXSA-N 429.540 4.502 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1C[C@@H]1CCC(F)(F)C1 1771099823 BHBSZFJDFYNUIO-LJQANCHMSA-N 429.515 4.506 30 10 IJEE CC(C)NC(=O)[C@@]12CC[C@@](C)(C(=NOC(=O)c3ccc(Br)cc3)C1)C2(C)C 1772722841 XNQJDMPUEXOWQI-LEWJYISDSA-N 435.362 4.703 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)COc1ccc(OC)cc1C(C)(C)C 1861625303 UNJHYRAYCYZONK-JOCHJYFZSA-N 446.632 4.839 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(Cl)c1 1862385825 YMXFDOHNMJPOMO-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)cc1 1862414179 UIROKZQPZAVGPB-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862447693 WIEKMEUUZGRCKD-OAQYLSRUSA-N 447.874 4.817 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@H]2c2cccc(F)c2)cc1 1862529810 KDYVNVTYOBGEAT-QHCPKHFHSA-N 438.543 4.698 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(C)c2)cc1OC 1862576506 VXHWZKXKTWGGJJ-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862596455 UANAWUGOGRDZIX-OAQYLSRUSA-N 430.485 4.714 30 10 IJEE C=CCN1C(=O)C(Nc2cc(NC(C)=O)ccc2C)=C(c2cc(Cl)ccc2Cl)C1=O 1863387485 KQVKHDUJUARPSJ-UHFFFAOYSA-N 444.318 4.638 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(C2CCCCCCC2)C1=O 1863437038 WJNKWIGCFANOTI-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE CCOc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870152095 APMLVRPVOUIYJJ-UHFFFAOYSA-N 447.539 4.802 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871005545 LFLNLRPFVSDJRZ-UHFFFAOYSA-N 426.438 4.734 30 10 IJEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2cccc(Cl)c2)cc1=O 1871007531 HLWHHFYDTPDYFK-JOCHJYFZSA-N 443.330 4.513 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCOC(C)C)CO2 1871351616 JBHSTXOMAFHXNN-JMIUGGIZSA-N 431.891 4.981 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1OC 1871367442 LWKVHIBOGFHWBB-OYKKKHCWSA-N 448.446 4.997 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3C2=O)cc1 1871373451 HFKNQYMVXSDQKW-UUYOSTAYSA-N 431.400 4.747 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871384362 XRTKGZHIEXSVHR-GRSHGNNSSA-N 436.807 4.787 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)nc(Nc2ccc(OCCC)cc2)[nH]1 1871725497 KOEXALUTGUAFJB-UHFFFAOYSA-N 444.583 4.925 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872456577 KBACSCMDXKOGKG-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE N#C[C@H](C(=O)c1ccccc1I)c1nc(-c2ccccc2)cs1 1872767879 CUDFTXJAPJGATK-CQSZACIVSA-N 430.270 4.905 30 10 IJEE N#Cc1cccc(Nc2[nH]c(=NCCc3cccs3)nc3c2cnn3-c2ccccc2)c1 1873477366 LORGWQPOIHLAGO-UHFFFAOYSA-N 437.532 4.569 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(NCCCOC(C)C)ncnc21 1873628465 COUCMHFFHMLGHH-UHFFFAOYSA-N 432.528 4.578 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1 1874366598 KWWWKOBXJJCITH-WYMPLXKRSA-N 448.379 4.752 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)c1OC 1874483316 PHIZSPGMHYAIDP-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)(C)C)c1 1874485866 QCONWHGSCQGPAA-BFTFCADCSA-N 435.597 4.736 30 10 IJEE Oc1ccc2cc(Br)ccc2c1/C=N/n1c(S)nnc1Cc1cccs1 1874560960 XYSYEYXBOWCGSA-KEBDBYFISA-N 445.367 4.723 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCC(=O)N[C@H](C)c2ccccc2)c1 1874581085 VZELLBWSTOYHJD-OCKXMSAZSA-N 445.515 4.856 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)c1 1874605794 GQBCRXADFWUNNX-ZRDIBKRKSA-N 435.451 4.757 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1 1874631389 ZJLONXAGDHMEIS-FMIVXFBMSA-N 431.916 4.501 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)ccc1OCC(=O)NCc1ccco1 1874634914 AFBUYCOEJPOCJT-VQHVLOKHSA-N 433.504 4.805 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC 1874702862 NQNDQCCVTVOECF-GXDHUFHOSA-N 432.472 4.893 30 10 IJEE COc1cccc(CCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c1 1874707776 WLQFNYXLDVUXRO-DHZHZOJOSA-N 430.456 4.858 30 10 IJEE CCCCCCCCC(=O)Oc1cccc(C(=O)CCN2CCN(C(=O)OCC)CC2)c1 1874737377 WQAIGQRJGVQAKV-UHFFFAOYSA-N 446.588 4.690 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)cc2)c1 1875145916 UWHJHQVYGRAURP-GXDHUFHOSA-N 432.472 4.757 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOC)c(OCC)c2)c(OCC)c1 1875179710 WTQYRWOJKGPKMC-XYOKQWHBSA-N 442.508 4.721 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C)cnc3C(F)(F)F)ccc21 1889490170 DOIZQEXPRLHRDA-UHFFFAOYSA-N 433.430 4.599 30 10 IJEE C=CCNC(=O)c1nc(C(=O)Nc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cs1 1890642870 BGDGTBRWQUJUTQ-UHFFFAOYSA-N 431.439 4.997 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccc(OC(F)(F)F)c3)ccc21 1890723845 ATILGFPSERHFLW-UHFFFAOYSA-N 448.441 4.704 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922101557 YMVKNQSYBFCFKH-RPWUZVMVSA-N 440.584 4.587 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC(C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@@H]2C1 1996806462 KSVCANOGNOYWKE-QZTJIDSGSA-N 427.545 4.967 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NC 2047972642 FMEWZKHWKVDICL-KBPBESRZSA-N 435.765 4.842 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@H]2C[C@H]1CC21OCCO1 2048162200 UVEMPOJRCPHPTK-BXTJHSDWSA-N 449.345 4.626 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1c1cc(Br)c(C#N)cc1F 2118155953 FKCXIVVJTPSUNW-STQMWFEESA-N 426.330 4.542 30 10 IJEE CCN(Cc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C1CCN(Cc2ccccc2)CC1 2143600652 WVEYLNWXIPJJSR-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)c(Br)c1F 2174807500 CLJYKIVKKYPHHY-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2235720195 BYXHHXJVFMDILJ-ICSRJNTNSA-N 435.406 4.720 30 10 IJEE C[C@@H](C#N)C1CCN(C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243917558 UOXWYGAHSULJQP-SFHVURJKSA-N 445.563 4.702 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2255852955 KDCLTIPYBIDFOA-ZTFGCOKTSA-N 430.354 4.693 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2262207222 RMDWZRLGBBDPHY-VWLOTQADSA-N 445.556 4.553 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cc(F)c(NC(=O)OC(C)(C)C)cc1F 2268200541 ULDIONGYWGULHM-UHFFFAOYSA-N 431.277 4.849 30 10 IJEE O[C@H](C#Cc1ccccc1Cl)c1cc(Br)ccc1I 2277850703 RDBRFNAJEQLTDN-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2cccc(Br)c2)c2ccccc21 2296230218 RBPCUJIZRWESGK-ICSRJNTNSA-N 428.326 4.700 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](N)C#Cc3ccc(Br)cc3)CCC[C@H]12 2296296204 LJJKUQFCLWYZPG-IPJJNNNSSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1coc(CNC(=O)OC(C)(C)C)c1 2296310385 JBYXOBNXGJODPE-LJQANCHMSA-N 433.346 4.769 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)c1 2296868161 ZBOOEXKMAPREIV-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCc1ccccc1NC=C1C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O 2297378548 PUJPTGURHPBBDK-UHFFFAOYSA-N 442.537 4.936 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1OC 2314429965 SMJSXYNBJLAVHA-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cccc(Cl)c1 2320923481 CNJDCIUJIXMZLO-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE CC(C)[C@@H]1C[C@@](N)(C#Cc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321373643 DHRFJCXFBQSCDS-GMAHTHKFSA-N 441.369 4.565 30 10 IJEE COc1ccccc1CCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2)cc1 2322071027 HXKXMYGZYJYKJP-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1nccs1 2323168969 SROHZAXRDXSQNI-UHFFFAOYSA-N 426.469 4.513 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)c(OC)c1 2323283485 WNZJXQZEBBDVQY-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323379139 NWNDTHZEHNBTQQ-UHFFFAOYSA-N 434.444 4.678 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1OC 2323438330 SJSYYOPLLCCIMS-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O)C(=O)Nc1ccc(F)cc1 2324305834 QGEQCNNZOKNZLA-MRXNPFEDSA-N 446.478 4.914 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)cc1 2325715217 QKDKMABDKFNDFW-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c1 2325730390 TWKXQJOURURHRM-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(OC)c(O)c1 2327383562 ZLRLNEGPQOWXRS-UHFFFAOYSA-N 438.553 4.684 30 10 IJEE OCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329143568 AYGHCYFGSUXNMP-UHFFFAOYSA-N 441.771 4.796 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCO)nnc2-c2cccs2)cc1OC 2330611938 KCCHJRAIORIUFZ-UHFFFAOYSA-N 446.598 4.551 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccccc1 2330623807 IFDDTHRTGGDREJ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)c(Br)c1 2331065701 QRXQRXOXTKTSJV-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE Cc1ccsc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 2331189339 IBGWVOQQVRNFKI-UHFFFAOYSA-N 425.495 4.991 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)c1 2331305724 MHLAFIOEQIYLOC-UHFFFAOYSA-N 440.499 4.894 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2F)c1 2331684835 CLUSBQXHEYRSMD-UHFFFAOYSA-N 429.496 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339592864 XFQQGDGTHIJKBA-FPEXNTMUSA-N 441.381 4.536 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339595966 FXDGHZZFPZXPDX-OALUTQOASA-N 444.381 4.751 30 10 IJEE CC1(C)OB(c2sncc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2362565644 GBOWLRDTKJKHEA-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC[C@@H](NCCc1nccn1Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363838730 MZLBBWMJQPWCAN-XMMPIXPASA-N 445.416 4.514 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCN[C@H]1C(F)(F)F 2370259267 WYZXGUOYLABZBR-PBHICJAKSA-N 448.283 4.767 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3ccccc3)CC2)c1=S 16076924 SFEIBFTXMUZINE-UHFFFAOYSA-N 425.989 4.700 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCOC)cc1 39827522 XNGATURUVKZGEX-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(\C)c2cccs2)n1 59038907 JTNJFTCRWRPKFC-LPYMAVHISA-N 446.627 4.935 30 10 IJEE COc1ccc(OC)c(/C=N/Nc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c1 59310519 WZZUUBSKSWWELN-ZVBGSRNCSA-N 438.340 4.867 30 10 IJEE O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1)NCCOc1ccccc1Cl)c1ccccc1 59502391 MNBLAKHFLCWDAN-UHFFFAOYSA-N 438.871 4.525 30 10 IJEE COc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)c([N+](=O)[O-])cc1OC(F)F 98007450 FBGZBCFVEYFWKO-TWGQIWQCSA-N 449.410 4.631 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccnc2)ccc1F 170013244 RVUVFFVPYKNTFM-FQEVSTJZSA-N 445.475 4.922 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 170130035 OQKMYAMVLVLUAC-HSZRJFAPSA-N 434.536 4.591 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccs1 170161363 SKRBKOFIIUKORE-NRFANRHFSA-N 433.485 4.611 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccs1 170165937 XSFRFVGORZMLNZ-JOCHJYFZSA-N 438.593 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170178004 NTRJCNBRUNMKJM-GOSISDBHSA-N 429.259 4.760 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3cccnc3)ccc2O1 170189060 XIXGMTFJINXXBR-RCDICMHDSA-N 446.890 4.841 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)cc1C 170225182 PMVYMJPTQMUPPT-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c1 170239778 QGSMTHKSQVNQQD-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCOC(C)C 170270488 OFPSQLTTZFLZSD-DEOSSOPVSA-N 433.548 4.877 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)ccc1OCC(C)C 170292138 AWMATGXBCGCMFV-QFIPXVFZSA-N 435.476 4.994 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(C)[nH]c2ccccc12 170311656 CQVJLGMXPRERPV-XMMPIXPASA-N 440.499 4.854 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1sccc1C 170317836 PBBDROKILQJJGN-MRXNPFEDSA-N 440.348 4.978 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2C)cc1 170398522 XBOURBDXIFXOBJ-HSZRJFAPSA-N 441.483 4.955 30 10 IJEE Cc1ccc(NC(=O)C(C)(C)Sc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)cc1 261526584 BTTRSYUUFQSINY-UHFFFAOYSA-N 427.533 4.892 30 10 IJEE CCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)Cc1ccc(OC)cc1 429930509 UTZGZDIKYKZCRL-ZWKOTPCHSA-N 439.581 4.508 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 438602426 CMFRZSOWNZMTRM-UHFFFAOYSA-N 436.512 4.644 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCOC1 461521000 HXDMOBIFAWZFQV-NRFANRHFSA-N 448.567 4.582 30 10 IJEE C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 482988105 RLALKBQJGZCZCB-KRWDZBQOSA-N 428.492 4.611 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 508884249 GGCYQSGWMYZMLA-ABQRKTDGSA-N 448.542 4.815 30 10 IJEE O=C(O)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 526803053 SFGWHUDERCWWOF-YSMPRRRNSA-N 446.507 4.881 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(Oc2ccc(F)cc2)CC1 570297798 HXUHIJDBGHHXPD-UHFFFAOYSA-N 436.531 4.758 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)cc1 576847318 ZJCGTMDQNGKWGY-IBGZPJMESA-N 430.533 4.741 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@H](NC(=O)CC(c3ccccc3)c3ccccc3)C2)c1 585998657 VBNQRJHNEGOQRO-VWLOTQADSA-N 437.543 4.501 30 10 IJEE N#Cc1cccc(C(=O)NC2CCC(OC(=O)COc3ccc(Cl)cc3Cl)CC2)c1 586505494 CGDPQFCXTGQQBW-UHFFFAOYSA-N 447.318 4.528 30 10 IJEE COc1ccc(Br)cc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 610167531 HQLCTDNKZXVXLM-JTQLQIEISA-N 437.384 4.999 30 10 IJEE C#CCCCCC[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 686707287 DDUKHAXDUAQHGD-BVAGGSTKSA-N 427.633 4.718 30 10 IJEE C=CCC1(NC(=O)c2ccc(I)c(Br)c2)CCCC1 721365656 AUKQRGAXLOEXJZ-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE CC1(C)OB(c2cc(I)ccc2CC2CCCCC2)OC1(C)C 725381962 JAWATQSCQVIHKN-UHFFFAOYSA-N 426.147 4.713 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 727233170 HYHUDHLVKQSNTM-PBHICJAKSA-N 432.442 4.945 30 10 IJEE CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)n1 732595960 FTDGLIHCZPVHNL-PCCBWWKXSA-N 446.528 4.879 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C(=O)O)c2ccc(Cl)cc2)cc1OC 756334155 ZHFSDFFEHXNTKQ-KRWDZBQOSA-N 440.721 4.591 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2cc(C)ccc2C)c1C 772550275 GEHPYQSYFOUCAR-NRFANRHFSA-N 428.536 4.884 30 10 IJEE C[C@@H](CSCc1ccccc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 773218881 GQYWSYXLCXQYON-LSDHHAIUSA-N 428.579 4.548 30 10 IJEE CC(=O)N(c1nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)cs1)c1ccccc1F 777171630 CHEDPKVSRLABCI-UHFFFAOYSA-N 435.480 4.879 30 10 IJEE CC1(C#N)CCN(Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccco3)c2=S)CC1 779880011 VUDTUZXWCKMIGM-UHFFFAOYSA-N 427.961 4.959 30 10 IJEE FC(F)(F)OCC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccccc1 794512477 VWVCSGKWMRNWPN-UHFFFAOYSA-N 441.335 4.910 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1=S 797418407 SIVXCTCYPSQVJK-HOIFWPIMSA-N 449.020 4.536 30 10 IJEE C=CCN(C(=O)c1cc(C)ccc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1128110732 DVBBXQWZKFHEID-HXUWFJFHSA-N 430.342 4.560 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cccnc2Oc2cccc(Br)c2)cc1 1129015798 KDYTXKDKJDWALS-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1OC 1134820878 MVXGYSUMYXUABX-TZEIPNGGSA-N 446.591 4.690 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(C)c(Cl)cc1I 1137092795 HDPBAEJDKFJJIK-UHFFFAOYSA-N 443.643 4.656 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](CCCc4ccccc4)C3)ccc2c1=O 1137662819 NRVZCKGOMBAYSD-HXUWFJFHSA-N 447.604 4.746 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)s1 1154959293 VDUNHBZGMMSPMK-KRWDZBQOSA-N 428.558 4.895 30 10 IJEE C=CCn1c(SCc2cc(Br)cnc2OC)nnc1-c1cccc(OC)c1 1165781833 KQMIVBUTRRNSFV-UHFFFAOYSA-N 447.358 4.598 30 10 IJEE CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccc(F)cc1F 1167237483 HWKFSCVSDNFNSQ-UHFFFAOYSA-N 440.494 4.747 30 10 IJEE COc1cc(CNC(C)(C)C(=O)NCC2CCCCC2)ccc1OCc1cccc(C#N)c1 1192945901 DZWKSIQAHBHWSR-UHFFFAOYSA-N 449.595 4.711 30 10 IJEE C[C@@H](NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1226074563 CQYHPFOINNMSBI-IAGOWNOFSA-N 430.474 4.564 30 10 IJEE C=CCCC1(CNC(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)CCCC1 1230926798 IZMABCHQANJDDJ-UHFFFAOYSA-N 435.568 4.541 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 1231195504 GWOQBCAQSAUEPM-UHFFFAOYSA-N 439.383 4.792 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](C)Cc1c(OC)cc(OC)cc1OC)c1ccc(F)c(F)c1 1234556655 VLDDVGOYFBMIIL-JLCFBVMHSA-N 434.483 4.538 30 10 IJEE N#Cc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1F 1248642421 FTWQDJRBWSRFAD-HXUWFJFHSA-N 435.421 4.683 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cnc(O)c2ccccc12 1251128215 YXKQOTHTOZUHTJ-UHFFFAOYSA-N 444.304 4.740 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)c1 1264935692 SBKWQVPSHZNTRS-UHFFFAOYSA-N 435.549 4.854 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1275473495 ACURSVDVPOCISW-GBESFXJTSA-N 449.389 4.713 30 10 IJEE N#Cc1ccc(SCC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1 1277064636 DQQUPOYGFISILN-UHFFFAOYSA-N 431.340 4.570 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](OCC(C)C)C1 1286340375 ZFLQGJLHWTULOA-KRWDZBQOSA-N 449.368 4.511 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CCOCC)CCC1 1286365877 LWBGVTVUKFLUDI-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1286382582 YOIIVTTWBIXPQI-RTBURBONSA-N 446.064 4.661 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCO[C@H]1CCCC[C@@H]1C 1286436450 IWDFSIBQWGBRSS-PXNSSMCTSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1286438150 QUMJEGSVUKNWFN-NFBKMPQASA-N 449.624 4.558 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1286496173 AENAZBRSMSOGOP-SFHVURJKSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1286498336 FPCUDBJQQFPFOT-KRWDZBQOSA-N 442.972 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](OC)C1CC1 1286528485 CFVRVZPVIWBKKM-DENIHFKCSA-N 431.005 4.641 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2csc(C)c2)CC1 1286639190 ZTKLALNAJRCQFS-UHFFFAOYSA-N 432.391 4.621 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1286656833 XOXBBTRQNUQLPF-UHFFFAOYSA-N 444.482 4.907 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1286685713 XOXLZVLDTAUUKA-LJQANCHMSA-N 446.555 4.850 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(C)noc1C 1286766429 QGPFWFNMSLKEOH-UHFFFAOYSA-N 436.343 4.544 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1c1ccsc1 1286774671 ARILBSZOXZJWTL-IBGZPJMESA-N 443.617 4.982 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccs2)CC1 1287887047 DEIMVJLBBXFWIG-UHFFFAOYSA-N 448.640 4.678 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](OC)C(C)(C)C1 1300349733 YJTWYLVHTKKZHJ-OAQYLSRUSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1300384608 SUAORFHZQOKTIQ-WMQCIHAUSA-N 428.964 4.633 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOCC)CCC1 1300441396 NDMUZYMRUDGQGP-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1300813889 UGSIXQLQBGQUBB-IBGGVINMSA-N 447.671 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(CC)Cc1ccc(OC)cc1OC 1300885749 SJRSQKNXRCZYST-REWPJTCUSA-N 440.588 4.571 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(Cl)=C(Cl)C1 1300930544 GAWSFSJVOPJIPI-UHFFFAOYSA-N 431.165 4.522 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1300989479 CAAHQFJNRWBOOR-UHFFFAOYSA-N 425.621 4.696 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]2CCC[C@@H]21 1301001808 NOYDUNMTRSREII-PMACEKPBSA-N 442.629 4.941 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN(CC)CCC)CC1 1301065228 CQYXDNPRJXLVAQ-JOCHJYFZSA-N 425.621 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC=C(c2ccccc2)C1 1301137399 PZYLHUWQJFXXPF-UHFFFAOYSA-N 442.567 4.821 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301202769 QKZKUVYEYGBMPR-LJQANCHMSA-N 445.405 4.805 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)[C@@H](C)CC)C1CC1 1301317362 QQPCQHUWLWDMKN-ZFWWWQNUSA-N 439.423 4.985 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1OCCC1(C)C 1301414611 GNNWQXDSEFVWGA-UWJYYQICSA-N 444.645 4.585 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)cc1 1301518311 ICCIGEGTVQEOTL-OAQYLSRUSA-N 435.572 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=C)Cl)C1 1301542740 QPYFAJJLUMLFIV-MRXNPFEDSA-N 437.769 4.550 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)C)CC1)C(C)(C)C 1302582064 DVLZLTMFGJVYIA-NRFANRHFSA-N 440.661 4.515 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H]2CC)CC1 1306508093 BFYLGRNFWHEZFP-IFMALSPDSA-N 448.615 4.528 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 1309057571 FZTQRNUBSKGWDA-HXUWFJFHSA-N 445.313 4.528 30 10 IJEE N#Cc1ncccc1S(=O)(=O)N(CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CC1 1309264243 BSCGNMVZVMRTOU-UHFFFAOYSA-N 436.364 4.535 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)Nc1cc(C)cc(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1310871539 BDIVWNGUNRVLFW-NBGIEHNGSA-N 446.595 4.884 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4c(F)cc(Br)cc4C3)cc21 1311252949 WHHINQKZMSDPPX-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1312334429 LWRJQTJRJNJKRP-CTNGQTDRSA-N 445.485 4.813 30 10 IJEE C=CCCC1(CNC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)CCCC1 1313003985 HUMMJCSSMLNXIF-KRWDZBQOSA-N 437.506 4.895 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(Cl)cc2)c(C(=O)OCC)c1C 1349734058 MECLXHLYODITDP-FLIBITNWSA-N 433.913 4.881 30 10 IJEE C#CCN(C(=O)Cc1cccc(OC)c1Cl)[C@@H]1CCOc2ccc(Br)cc21 1353634971 PJBWTXSIYFKEEF-QGZVFWFLSA-N 448.744 4.639 30 10 IJEE Cc1ccc(-n2cc(C(=O)N(Cc3ccc(C#N)cc3)c3ccc(F)cc3C)nn2)cc1 1354387973 HHEHSTIZNNKJHS-UHFFFAOYSA-N 425.467 4.742 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COCC(=O)OC(C)(C)C)c1ccc(C)c(C)c1 1355774018 NDQQJAFBVISZRZ-UHFFFAOYSA-N 439.552 4.760 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC)CCCC)c1 1357422907 WBFJWBNGQQQAMW-UHFFFAOYSA-N 434.989 4.984 30 10 IJEE C#Cc1ccccc1CC(=O)Oc1ccccc1C(=O)OCc1ccc(Br)cc1 1358244458 IABMKQGXMVQBHA-UHFFFAOYSA-N 449.300 4.936 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 1358486734 VNJGQUHFNSHHCT-UHFFFAOYSA-N 425.532 4.873 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1358926665 XGHGCLSPAPFTAN-OAHLLOKOSA-N 448.518 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](OC)C1CC1 1359073051 AYOKPTVUTLHZBC-ATIYNZHBSA-N 436.600 4.572 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1359085935 DUHJLRJQVIZTEY-LJQANCHMSA-N 431.378 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1CC(F)(F)C1 1359102532 CEJYKGJZWUBCHG-GGAORHGYSA-N 444.570 4.916 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359197483 QIOGESNCYCYXKS-OXJNMPFZSA-N 442.435 4.573 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC[C@H]1CCCCO1)C1CC1 1359247424 BAPVQPJEFPSSNU-LJQANCHMSA-N 431.378 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1359268469 RLWXBHKBDLJKHT-AZUAARDMSA-N 445.405 4.947 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(C)c1 1359279230 YCYQUALENASEQK-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)c2nc(C)cs2)C1 1359315983 GAZJHAMGPZZALO-DNVCBOLYSA-N 444.004 4.948 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)COc2cccc(Br)c2C#N)cc1 1360077910 FSWJXOJXPQANGF-UHFFFAOYSA-N 446.301 4.685 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@H]1CCCCO1 1360787950 HTPDVKKEDHUJBJ-YCFYUYSTSA-N 443.636 4.676 30 10 IJEE C#CCOc1ccc(COC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 1435847488 BDQNIPCCTXEOHZ-UHFFFAOYSA-N 441.409 4.533 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(CC)co2)c1 1436205110 RYPIAHRZSGJHCJ-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccc(Cl)cc1 1436649299 SFBXXWNNNHPQEI-WOJBJXKFSA-N 431.761 4.730 30 10 IJEE C#CCN(C(=O)c1cccc2cc(O)ccc12)[C@@H]1CCOc2ccc(Br)cc21 1444123122 PCGSBWQOYWFWBE-OAQYLSRUSA-N 436.305 4.907 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CCC)[C@@H](O)c2ccccc2)s1 1448957308 FZSVJGWLRRUKQY-APWZRJJASA-N 425.019 4.857 30 10 IJEE COc1cccc(C2=NO[C@@H](C(=O)OCc3ccccc3Oc3ccccc3C#N)C2)c1 1460035705 DIVKGPZBJVFIDY-XMMPIXPASA-N 428.444 4.596 30 10 IJEE C=CCn1c(SCC(=O)N=[S@](C)(=O)C(C)C)nnc1-c1ccc(Cl)cc1Cl 1462922564 USLXKJOBZZSABE-HHHXNRCGSA-N 447.413 4.563 30 10 IJEE C=C[C@H](CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1 1463954734 XKAQKKBYHVZMHB-HDAKKWKLSA-N 440.952 4.852 30 10 IJEE N#Cc1cc(Cl)c(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(Cl)c1 1465441445 FRIAWJWSWVSQNI-UHFFFAOYSA-N 433.686 4.624 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1465455514 BBBLCBLKBDBOET-FDFHNCONSA-N 430.589 4.829 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1467563486 ADJAZHFSLDSSKC-NRFANRHFSA-N 428.598 4.547 30 10 IJEE C=CCCCCNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1469867384 FCBFLSHBROQYDZ-TZIWHRDSSA-N 433.568 4.822 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)cc1 1476705619 NIDJCLDUNLPWEZ-UHFFFAOYSA-N 430.224 4.749 30 10 IJEE N#Cc1ccc(NC(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nc1 1476930104 GLWJOFDOTGVHDF-UHFFFAOYSA-N 437.956 4.685 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CC1CCC(C(F)(F)F)CC1 1503461825 HPYVDEBCCFMFNY-GPJFCIFZSA-N 447.505 4.659 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](C)C2)C1 1505213344 AZJJAXOCQNFFEU-RCZSKKKRSA-N 439.629 4.887 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1507555877 WVRZEMIGHZRFFN-UHFFFAOYSA-N 438.963 4.652 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](SCC)C1 1507561851 DWQIOJZNPGMDNY-HXUWFJFHSA-N 442.629 4.878 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCCC[C@H](SCC)C1 1507567797 TWFCIECKSJQWNI-NRFANRHFSA-N 426.630 4.793 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1507743947 GFOZIHUJDHMXHF-MOPGFXCFSA-N 433.021 4.605 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(C)C)C1 1507747107 FKZWLGNGPPIKIL-SFHVURJKSA-N 447.446 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1507798412 TWIMCMCNVIFZQE-GIHONLOASA-N 440.588 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1CSC 1507838495 RXBMGTWFFIIYOT-QGZVFWFLSA-N 437.009 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCCC)CC1 1507913527 ZGPJWKPTDZHDRQ-UHFFFAOYSA-N 448.615 4.552 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507942775 WLKMRYONRXOLEK-LJQANCHMSA-N 436.560 4.810 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1507956067 ZUASORFFSOIWEA-UHFFFAOYSA-N 436.625 4.718 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(N2CCCC2)nc1 1507973366 AZYGUPIHKVGSLS-UHFFFAOYSA-N 443.382 4.918 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1507986093 ILGVTAQAAJQJOC-SFHVURJKSA-N 445.633 4.662 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(F)c(Cl)c1 1508006158 KIJHYVIFWZHAPB-UHFFFAOYSA-N 447.967 4.511 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1514664768 BHQUNBHPQZBNSY-UEXGIBASSA-N 442.346 4.988 30 10 IJEE C#CCOc1ccc(COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 1521612563 UJLLVFKBGYNBTN-WIOPSUGQSA-N 445.540 4.906 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(C(F)(F)F)cc1 1526555123 SADBXRUWWPQHCP-IBGZPJMESA-N 441.453 4.799 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1 1526842531 FCOWYUDQBUNSRG-GOSISDBHSA-N 436.335 4.998 30 10 IJEE CC(C)c1ccc(Oc2cc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccn2)cc1 1527081575 DIWWLRCZMXVNDT-JOCHJYFZSA-N 428.492 4.557 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)c1 1530149319 QIQRLLKEZVQQRS-UHFFFAOYSA-N 446.572 4.940 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 1531283708 BZADOMTWWZHKCP-IBGZPJMESA-N 447.897 4.937 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 1533841782 JDRZZXOXHSQIIV-UHFFFAOYSA-N 438.952 4.636 30 10 IJEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)CC1 1537407533 CAPFEGWCLUZTIZ-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OCC 1538970607 CVUQMGNEGLAUFC-ROUUACIJSA-N 432.996 4.961 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@H](c1cccnc1)C(C)C 1539549939 YRBAFALKIIFYMU-BKMJKUGQSA-N 429.568 4.781 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)C)C1 1539928674 FPBQZJGQICHLIU-FQEVSTJZSA-N 432.996 4.974 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCO[C@H](C)C1 1539944311 AHVQWKNCEAZOAR-MOPGFXCFSA-N 426.561 4.672 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1c(C)nc2ccccc21 1540176408 BYZGOIUVDLAUMM-NFBKMPQASA-N 448.615 4.733 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC[C@H]2CSC)cc1 1540878683 DXBWMEZEXNZWMH-NRFANRHFSA-N 426.630 4.956 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1542125673 CUSYFFUSUMGXDW-QHCPKHFHSA-N 442.995 4.597 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(COc2ccccc2)c1 1544997678 VSSPVCGUQUOOMN-UHFFFAOYSA-N 439.515 4.946 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)OC(C)(C)C2)on1 1545823244 FWNLKSXDOXLSRG-KRWDZBQOSA-N 448.571 4.760 30 10 IJEE C#CCN(C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)[C@H]1CCCc2ccccc21 1558542103 QRZGGSRFOYKOEW-FQEVSTJZSA-N 439.581 4.962 30 10 IJEE CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@H]1OC 1562436935 HKSZEZOROXINFD-DFQSSKMNSA-N 449.429 4.683 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCSCCOc1cccc(Br)c1 1564067949 WQMPWZVDMMEPSA-VQIMIIECSA-N 441.435 4.995 30 10 IJEE C#CCCCCNC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1566392961 OWKJNLAFCRHHLH-RUZDIDTESA-N 430.548 4.710 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 1566495083 WWUFTEFZFKOTDX-QFIPXVFZSA-N 438.936 4.635 30 10 IJEE C#C[C@@](C)(CC)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1569253696 OGNSOMNSAHDCJQ-SQHAQQRYSA-N 432.564 4.858 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)c(F)cc1C)c1ccc(Br)cc1 1583571209 UBRCFHKUCDETSL-INIZCTEOSA-N 425.095 4.763 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC23CCC(CC2)C3)c1 1584803794 ZBZBYOVKMFKHBJ-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1SCC(F)F 1586017667 HRZANMWKYCHQFI-CQSZACIVSA-N 432.920 4.942 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1587723205 DCQCMJDKBYMRBF-KRWDZBQOSA-N 430.961 4.943 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1587883827 NEOZRZKVHSKOQJ-KNQAVFIVSA-N 436.581 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1589514697 HTCNOIVDKBRKLW-YZLZLFLDSA-N 434.506 4.793 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)C/C(C)=C\c1ccccc1 1589559424 RCOZGUVVPITAHH-ODTYOQCJSA-N 443.595 4.785 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1)c1ccccc1 1593788707 CUHZQZLMNRDFSL-FYYLOGMGSA-N 437.632 4.711 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1593899770 BYGVUYLAMKDQPI-LJQANCHMSA-N 436.934 4.696 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1594430232 KMAPWVCKDOEZNN-WIOPSUGQSA-N 436.600 4.858 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCC1 1594551807 AAHGPCMPNFWLGC-UHFFFAOYSA-N 433.394 4.805 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1 1594774898 OJOMVXUPELRBQN-CEMLEFRQSA-N 442.579 4.880 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1 1595076044 RPTXPCYYNAHCOU-LEWJYISDSA-N 447.583 4.747 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C)CCCC2)C1 1595665610 YCTUZCSAPSQQKO-OAQYLSRUSA-N 437.588 4.509 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2CCCC2)C1 1595679679 AARHCMJWLPGVBI-KRWDZBQOSA-N 449.368 4.818 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(COc2ccccc2)CC1 1595866437 KPEYTEQLFHCRGJ-UHFFFAOYSA-N 435.597 4.555 30 10 IJEE CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1613063735 DHMKPDBSOAOSFN-UHFFFAOYSA-N 432.572 4.609 30 10 IJEE N#Cc1ccc(CN(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c2ccc3nc(O)[nH]c3c2)cc1 1615984256 OTVLKPPWKYYYOD-PXNSSMCTSA-N 430.430 4.647 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(Cc3cc(Cl)cc(Br)c3)CC2)c1 1616275107 HUPAAWRXBZSDRN-UHFFFAOYSA-N 432.749 4.825 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2cccs2)n1CC)[C@H]1CCCc2ccccc21 1617567074 PWTCXYBCCCFNFE-IBGZPJMESA-N 436.606 4.658 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCN1CCN(C(C)C)CC1)c1ccc(C)c(C)c1 1627426405 ZZWGKSDRZXIDFN-UHFFFAOYSA-N 449.639 4.818 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc2nnc(C(C)(C)C)n2c1 1629600798 KDJGRBOASNPGHG-UHFFFAOYSA-N 429.318 4.606 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1c2ccccc2c2ccccc21 1632485722 ZRDHJIQWDHSIKQ-IBGZPJMESA-N 441.959 4.947 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)c3cc4ccc(C(F)(F)F)cc4nc3O)CC2)cc1 1634689588 JPQNWZARMAJIQB-UHFFFAOYSA-N 441.409 4.514 30 10 IJEE C=CCn1c(S[C@H](CC(C)(C)C)C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 1640569398 YQMKMWKLMQTGPU-MRXNPFEDSA-N 434.627 4.983 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 1642903157 BRIIVAROJLCGJP-UHFFFAOYSA-N 436.874 4.500 30 10 IJEE C=CCn1c(SCC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)nnc1-c1ccc(Cl)cc1 1648362765 IXUWVILLWXXFPX-ZWKOTPCHSA-N 431.005 4.914 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C)C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 1652348998 IWRATQRDIFVRGJ-MRXNPFEDSA-N 441.622 4.967 30 10 IJEE C=CCn1c(SC[C@H]2COC(C)(C)O2)nc2sc(-c3ccccc3)c(C)c2c1=O 1652572062 HFYIQVYUURXAAW-MRXNPFEDSA-N 428.579 4.863 30 10 IJEE C#CCN(CC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12)C1CCCCC1 1653271980 WRGUYYNITFUSLH-VWLOTQADSA-N 443.591 4.693 30 10 IJEE CN(Cc1cc(O)n2ncc(C#N)c2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1657437087 BKCIROICGDCPEB-UHFFFAOYSA-N 438.318 4.835 30 10 IJEE C=CCN(C(=O)CN1CCn2cccc2C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1660079057 HITRFTWAGYSHMU-UHFFFAOYSA-N 447.391 4.953 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)Oc1ccc(OC)cc1 1662572911 BFHJXZBAPSHVQF-CQSZACIVSA-N 435.318 4.612 30 10 IJEE C#CCN(Cc1ccc(OC)c(OC)c1C)[C@H]1CCOc2ccc(Br)cc21 1663979401 HUTFXOYHQUFPNT-IBGZPJMESA-N 430.342 4.734 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCC[C@@H]3[C@H](C)NC(=O)OC(C)(C)C)cc21 1664929994 ZETPISKPOGSMBN-QFBILLFUSA-N 427.549 4.522 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1668360472 XLQSNGHHGWICPG-AVRDEDQJSA-N 436.980 4.569 30 10 IJEE CC(C)(C)c1csc(NC(=O)NCCc2ccc(OCC(F)(F)F)nc2)c1C#N 1672201549 BPHMPKCLWDKZJD-UHFFFAOYSA-N 426.464 4.618 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 1674249374 BWRZRRFOKYZFLI-UHFFFAOYSA-N 425.529 4.810 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Nc3cc(I)ccc3C)cc21 1674680026 YAVKGNKTKFAFLF-UHFFFAOYSA-N 432.265 4.779 30 10 IJEE C=CCN(C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)[C@@H](C)COC 1683005896 HKGUEEUXFJGSDA-LPHOPBHVSA-N 447.576 4.868 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1685817316 LGHIFPPYSSGNEJ-YJBOKZPZSA-N 425.495 4.659 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C)C1 1690222975 ARQMISGNSFVGFR-OAHLLOKOSA-N 449.393 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(CCCCC2)O1 1690257722 RRYIQSDLOQLHRC-BWKNWUBXSA-N 446.636 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@](C)(O)C(C)C 1690271544 TYUUFOBXKLRKRQ-OAQYLSRUSA-N 441.403 4.973 30 10 IJEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1690315449 AKVAEXQAUPQHJI-UHFFFAOYSA-N 445.489 4.512 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OCC)CCCC2)CC1 1690402506 FHZXYAFIVWXXPP-UHFFFAOYSA-N 425.533 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690435169 TYSQUVBPBMKUDZ-UUOWRZLLSA-N 445.007 4.509 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1690439676 MBICRGNQFOABFG-VQIMIIECSA-N 449.043 4.822 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(CCC)CC1)c1ccccc1 1690446500 BBCZVSLFGUTLDB-ISKFKSNPSA-N 437.632 4.800 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690456135 WZEPJHWTHDCFRA-OAQYLSRUSA-N 437.632 4.951 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCc1nccs1 1690575973 IQAUBTDHFQQJES-UHFFFAOYSA-N 432.578 4.770 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1690597247 NQFWVEAJQIGCNT-MZLICYQSSA-N 426.992 4.642 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CCCS1 1690604681 YHTZKVOZBGZYRO-ZJSXRUAMSA-N 426.630 4.693 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H](C)CC)n1Cc1c(C)sc(C)c1Br 1690611252 GEOWMYZPYUEKFZ-ZDUSSCGKSA-N 441.439 4.920 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCSC3(CCOCC3)C2)cc1 1690679082 KHJVMEMTCRBDHQ-IBGZPJMESA-N 442.629 4.507 30 10 IJEE C=CCOc1ccc(Cn2c(C)nnc2N(C)Cc2cc(Br)cs2)cc1 1690679434 UUWXLEKWLDFVBS-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1690705926 FRFRFJNSFBEFIR-AZUAARDMSA-N 440.485 4.879 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C(C)C)CC2)C1 1690711630 FEMPFRZADFDMGA-FQEVSTJZSA-N 430.980 4.728 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC(F)(F)C2)C1 1690711942 LAAXIALKDZCGSX-PMACEKPBSA-N 446.542 4.691 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](F)C1 1696173464 GWRYJQDZXURVKB-YDIMBITNSA-N 441.551 4.524 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOC2(CCC2)C1 1705520359 RIBAQFQEPHDCAQ-UHFFFAOYSA-N 436.600 4.852 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@H](C)CCC 1705690797 ICYCESMWZWVHHL-CQSZACIVSA-N 425.346 4.777 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705733587 RFQWHZWCDZQNQS-JBACZVJFSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705735474 RPQCLZRFRMRVRG-OAQYLSRUSA-N 429.653 4.619 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1705757835 ZILGBQPTQIHWQT-DNVCBOLYSA-N 432.952 4.788 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1705776692 MXUZFVAWCJVAMH-SELNLUPBSA-N 440.588 4.644 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705778716 IAADRAKVLHGUCA-HXUWFJFHSA-N 425.577 4.651 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC2CCCCCC2)CC1 1705784610 BUMNIKMVWSISHA-UHFFFAOYSA-N 449.599 4.871 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)C2(CCC2)C1 1705808700 VCNBCWRICNTEST-SFHVURJKSA-N 427.618 4.642 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1705816309 AYCXXIGOPQXBHY-JOCHJYFZSA-N 433.556 4.973 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705890258 GVSNLCJOAUEDHM-SLFFLAALSA-N 429.609 4.595 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)C1 1707960778 GVRRXRHPLKMJNJ-ZCNNSNEGSA-N 440.611 4.503 30 10 IJEE C[C@H]1C[C@@H](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)CCO1 1707975577 AXWMQDNUUDOINK-HKUYNNGSSA-N 427.980 4.934 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1709638725 DSOBJUTWKFQKCG-WIOPSUGQSA-N 438.595 4.604 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)c1nccs1 1722312209 YPBQBQYCLKRAHN-GOSISDBHSA-N 430.581 4.993 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCCN1CCCC1 1722379407 HQGFXTRLCMQYRU-UHFFFAOYSA-N 449.668 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(COC)CCCCC1 1722504102 ZASIIINUGPZGKL-UHFFFAOYSA-N 427.549 4.853 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1722570384 ZKFRCNOBVZPEJK-FQEVSTJZSA-N 441.576 4.517 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCS1 1722632451 UWYIKEJQVNKDKF-SFHVURJKSA-N 425.371 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCc1c[nH]c2ccc(F)cc12 1722675817 RZVCUHCHQVJBBD-UHFFFAOYSA-N 436.560 4.675 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CC#N)CC1 1722733021 VJEMMELFMBJWKA-QGZVFWFLSA-N 429.565 4.606 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1722734590 FIQJEZXKJBREBQ-IEBWSBKVSA-N 430.618 4.896 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1722738324 GDZMFGGYWKTUCW-SJORKVTESA-N 435.663 4.616 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)C(C)(C)C2)c(C)o1 1724156612 CBYDVBQZFXVJSQ-MRDQGFSESA-N 447.583 4.807 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)(F)F)c(C)n1 1728069449 GWMGYTXNMXJUHP-UHFFFAOYSA-N 445.493 4.559 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@@H]2C)c1 1730029199 CQHUVXQSSCDVNB-PMPSAXMXSA-N 446.393 4.748 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(c2nccs2)CC1 1740582399 NLTFMZXILDWTLD-UHFFFAOYSA-N 448.640 4.829 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CC=CCC1 1740590314 KXODYADJECYOJJ-SFTDATJTSA-N 441.620 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCCCCC1 1740756991 RYDJCOMXHFKVEB-CVDCTZTESA-N 440.588 4.714 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1740778021 AVDTWHIYKOCZMN-AWEZNQCLSA-N 432.341 4.959 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1740783211 XLJDWQNOEQJKEU-ICSRJNTNSA-N 444.023 4.620 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCCCC1 1740787441 DCCWIYYTHSZZCQ-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740844421 ZGGALRJETHEENE-FCHUYYIVSA-N 435.616 4.623 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCN(CCC(C)C)CC1 1740901289 NBFWBBFIEVSLJL-UHFFFAOYSA-N 430.040 4.903 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCCCC1 1740922959 XRNJPRSBNWUDPU-UHFFFAOYSA-N 438.597 4.903 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C)C(C)C 1740927063 QMYLNEKQXSPGCM-SIKLNZKXSA-N 444.023 4.522 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CCN1CCCCC1 1740936467 VPSKFBKCTKZWIR-UHFFFAOYSA-N 439.991 4.913 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1741002531 NOFVRQXESZSIHX-JBACZVJFSA-N 426.630 4.812 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CC(F)(F)C1 1748552084 FBTNUMIHVOOVIZ-FQEVSTJZSA-N 435.906 4.782 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1cccs1)N1CCCC1 1748649699 SCCTWLAJRBXDQH-PXNSSMCTSA-N 440.016 4.955 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1748702520 KNTXMWNXDCQATO-JOCHJYFZSA-N 449.643 4.789 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCCO1 1748724040 INHZYITVJFLFBP-QHCPKHFHSA-N 438.616 4.963 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1748738403 BGRCIMGXYJQSHI-LPHOPBHVSA-N 443.389 4.899 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1748773273 VOKIMNOTAWWADL-IRFCIJBXSA-N 445.007 4.819 30 10 IJEE COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(CCC#N)CCC(C)C)c(F)c1 1748800789 DUEDUMBXEDKEOS-UHFFFAOYSA-N 436.535 4.611 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1N(C)CCCC1(C)C 1748915402 YBXPNUSVZAUIJU-AVRDEDQJSA-N 439.673 4.711 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749089751 BVUXFXZEEMKTKL-BETUJISGSA-N 441.320 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1749155274 BSKZCXUVOWOUAE-XMMPIXPASA-N 437.632 4.720 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)CN2CCCC2)CC1 1749291840 KAJPYZYKLQOADS-PMACEKPBSA-N 444.023 4.960 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1749448416 ZYMHVIKXZIWKDV-OFAXGOBFSA-N 440.588 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCOC[C@@H]1C 1749564245 RWVQGZVCHYJRFH-PKOBYXMFSA-N 445.405 4.867 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)c1ccccc1 1760104341 XACIYCADBONBJO-HOCLYGCPSA-N 445.386 4.615 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760130419 IHAHOVSCXZMVMN-AABGKKOBSA-N 444.023 4.794 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(C)(C)OC[C@@H]1C 1760275639 CQFCYXOZMLMJFS-SJORKVTESA-N 444.670 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc2ccccc2s1 1760339895 AOKCEBITVMUTHG-RXVVDRJESA-N 426.586 4.668 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCC2CC2)C1 1760353568 WSKINDGWUBEGHH-IBGZPJMESA-N 430.980 4.587 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1(OCC)CCCC1 1760479085 CPRGYRZCLVWIMK-UHFFFAOYSA-N 430.556 4.687 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn2ccc(C)cc2n1 1760488883 JCAXLJYQLXEVSO-LJQANCHMSA-N 446.530 4.740 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760498209 JBUBWSCZSPSVGT-CPJSRVTESA-N 427.637 4.914 30 10 IJEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCC)CCC2)C1 1764504889 GPKRNMYXNWUOGI-JOCHJYFZSA-N 448.615 4.530 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(F)cc1 1861115510 GNMKGCUDRDDULE-SKELBMGJSA-N 440.559 4.749 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1862091777 CCCSADLJPOSLCF-QFIPXVFZSA-N 430.552 4.719 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862537958 GSLRZTBIMMZJKQ-IBGZPJMESA-N 434.319 4.517 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(N(C)C)cc1 1862545564 CVHWTYXTOGMDFJ-DEOSSOPVSA-N 432.564 4.866 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862559015 FWQWEHNLLAUHES-QHCPKHFHSA-N 446.478 4.585 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1O 1862585163 PSDKDIVBYZQIDB-SFHVURJKSA-N 436.291 4.694 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC)c(OC)c1 1862585767 DKMKXFMZKFPCOK-SFHVURJKSA-N 436.291 4.609 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862625852 ORMHHOOYKSRGGT-BTCOZLQPSA-N 433.504 4.881 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(C)cc2)cc1 1862625899 PZSSJUUJVAFUSE-XMMPIXPASA-N 441.483 4.811 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1F 1862636478 IIFHQZADERKGJR-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(F)c2)cc1F 1862638193 WCBISUIJOSADMB-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862649367 WPPPHHCIMUJGRM-XMMPIXPASA-N 437.499 4.692 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862655107 ZVCDWIVPHJEFNH-QFIPXVFZSA-N 430.460 4.982 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2F)cc1 1862689660 WHKJNJTYMZPROM-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)O)cc1 1862715265 SXHYJYZVYSMCQR-NYHFZMIOSA-N 429.472 4.915 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862960517 IIUDQRAQICBVMX-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(C)ccc2C)C1=O 1863028833 SDTMPHRXLMIDCS-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE C=CCN1C(=O)C(Nc2cccc3c(O)cccc23)=C(c2ccc(Br)cc2)C1=O 1863197911 ARDNYBMWCAWJMX-UHFFFAOYSA-N 449.304 4.686 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 1866724080 MHLMCVKXMVYSLG-DNQXCXABSA-N 449.620 4.935 30 10 IJEE CCC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866775054 JUBZRZSEJUXIKM-PKTZIBPZSA-N 435.568 4.929 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870106371 JRDMRFWIEGHWRC-KQWNVCNZSA-N 433.515 4.994 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 1870140568 YHBOYMOGQLTGCG-UHFFFAOYSA-N 433.556 4.863 30 10 IJEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870162211 ORQRSLGCAAQCKP-CABCVRRESA-N 432.698 4.841 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)O/C(=C\c2cccc(Cl)c2)C3=O)C1 1871356174 YMEVGSFPOLXZIN-MTJSOVHGSA-N 426.944 4.758 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3C(=O)O)c2C)C1=O 1871430240 FGGBWZLGWONTLY-ODLFYWEKSA-N 449.484 4.697 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871438245 RTDRBIRNKMSTKT-FGHSJCFPSA-N 437.275 4.567 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871448728 XRXDFMUKFXOTSC-LRSOKBAUSA-N 444.443 4.925 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871449390 VUKBQXLLSOHSPN-PXNCGERRSA-N 446.459 4.569 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 1871795407 WYMYGEQVMFYCFE-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1C 1871876705 UVLGKZJBGQBAKU-HXUWFJFHSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 1871908657 IFFQDWZDWAFFNY-QHCPKHFHSA-N 444.597 4.850 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1872138113 MZGSFTCEMDAJNN-QHCPKHFHSA-N 438.524 4.773 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1872138514 XNNHSQHEJCHSJL-JOCHJYFZSA-N 440.952 4.897 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872371901 LSFWTDMGPBMMER-YJBOKZPZSA-N 434.524 4.677 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872554790 GNRZKIVHSYZCOF-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872571551 JNEFRIXDQFDLLG-VGSWGCGISA-N 432.561 4.673 30 10 IJEE CCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1872604714 BEYWIBQGEUBNAL-OAQYLSRUSA-N 437.005 4.836 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCCC)NS(=O)(=O)c1ccc(F)cc1 1872614105 ZNHNXYUDJQJQLT-OAQYLSRUSA-N 428.614 4.920 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c1 1872767223 PTCLOWWSLZYBAF-GALSZHCDSA-N 426.444 4.995 30 10 IJEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)cc(OC)c1OC 1872771268 QHNNQOAPPMABCD-UZYOAWRESA-N 426.519 4.787 30 10 IJEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCC2=CCCCC2)C1=O 1873169557 CUFUBCMELOFPDA-UHFFFAOYSA-N 429.564 4.840 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)cc1C)n2CC=C 1873615611 YFPHRVSQTQQIJM-UHFFFAOYSA-N 426.318 4.538 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SC)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874271847 OQRWVJIDIPQFEM-LSPPGFKNSA-N 443.617 4.566 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874385814 KCDYYGZXVGPGFL-BUVRLJJBSA-N 438.553 4.813 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)c1 1874493380 JKIUOALPMZHYLC-PCLIKHOPSA-N 449.580 4.947 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2c(F)cccc2Cl)cc1 1874518077 AEFUGFPFIIYHRY-BHGWPJFGSA-N 443.935 4.869 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)c(Cl)c2)c(C)c1 1874541233 QZTIFRPAHCEYPD-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE COc1ccccc1CCc1nnc(S)n1/N=C/c1ccccc1OCc1ccccc1 1874563916 DEZTVFABADCBRI-YZSQISJMSA-N 444.560 4.822 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3)c2)c(OC)c1OC 1874601537 PUKNVUZNVPJVIE-WYMLVPIESA-N 447.487 4.626 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1)c1cccc(Br)c1 1875115411 BSZBCLXNEIAJHQ-GQCTYLIASA-N 444.159 4.721 30 10 IJEE C=CC1(Oc2ccc(Br)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 1903449286 USKGRAVRFXWDFR-UHFFFAOYSA-N 427.295 4.692 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCCB1OC(C)(C)C(C)(C)O1 1977838270 IDXAREHQAXXISX-VXKWHMMOSA-N 444.425 4.980 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cccc(Br)c1Br 1992853872 MBUWSKVJTFZXLE-ZIAGYGMSSA-N 449.183 4.584 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2014555257 DKHZRRYYOQPKNR-VFNWGFHPSA-N 436.557 4.852 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NC 2047968277 QEMQLPLNJUWODD-CVEARBPZSA-N 429.786 4.540 30 10 IJEE COc1ccc([C@@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1C 2080002592 ZUOVWWLBGLHDOK-GFCCVEGCSA-N 441.313 4.520 30 10 IJEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1 2080102820 ZEEXGMWYGJLKBW-OAHLLOKOSA-N 442.235 4.851 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cccc(F)c2Br)NC)C1 2126686136 XFGBZXNXXLCUCB-MRXNPFEDSA-N 427.358 4.580 30 10 IJEE CC1(C)OB(c2ccc(CN[C@@H]3CCN(Cc4ccccc4)C4(CCC4)C3)cc2)OC1(C)C 2173426866 IHSICVLCBWIJIY-RUZDIDTESA-N 446.444 4.663 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181113809 CWACBECBMQQETD-INIZCTEOSA-N 436.350 4.589 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2cccc(Br)c2Cl)C3)OC1(C)C 2194129144 SPGDXCOJQILQBZ-BLVKFPJESA-N 440.574 4.801 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2235748280 YCHZAPHNLSEPJG-MOPGFXCFSA-N 433.390 4.711 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2247779192 PDTCFHADJREEKC-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE CN(Cc1cccc(I)c1)c1ccc(C#N)c(Br)c1 2265528627 DHOBUPXEEAWAHO-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CC1(C)OB(c2sccc2C(=O)NCc2cccc(OCc3ccccc3)c2)OC1(C)C 2267480418 ZJOKNEJVJNKKOC-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC1(C)OB(c2cc(NCc3ccc(OCc4ccccc4)cc3)ccc2N)OC1(C)C 2267834747 MXAMWPXPZIZKGG-UHFFFAOYSA-N 430.357 4.759 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2268190808 COQUVSZFKFABLV-HGKCTWBKSA-N 442.365 4.506 30 10 IJEE O=C(C#Cc1cccc(Br)c1)c1ccc(I)c(Cl)c1 2278757610 YQRVQPPJTSCPDC-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(O)C#Cc2cccc(Br)c2)C1 2296225546 WFJWFPKCKMIARS-FCHUYYIVSA-N 434.374 4.733 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1(CNC(=O)OC(C)(C)C)CC=CC1 2296225553 WIYYTPAGUSIBAW-LJQANCHMSA-N 433.390 4.640 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](N)(C#Cc2ccc(Br)cc2)C(F)(F)CC1 2296233133 UTCKRCYFMDTBGQ-IBGZPJMESA-N 443.332 4.554 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2296275950 CEBUSSRHZWHOQT-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@@H](O)C#Cc1ccc(Br)cc1 2296277113 OQIYVPVXTGVOQB-KRWDZBQOSA-N 432.314 4.890 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1ccccc1I 2296278618 GGEHWLIGTJRBFF-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2296293357 ISMUWVMHIWLTFQ-XNFNUYLZSA-N 435.406 4.670 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)SC1=S 2296741660 JJGUFLUKLYYRHF-UHFFFAOYSA-N 425.531 4.610 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 2297745428 DRBZEHFNSPQADE-HSZRJFAPSA-N 426.472 4.580 30 10 IJEE CCN[C@H](C#CC1(SC)CCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2299640138 JEDFIZVWRBPTBL-KSEOMHKRSA-N 446.657 4.752 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(C(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2314429620 KZUWGVWZGXGDOK-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CC(=C1SC(=Nc2cccc(C(=O)O)c2)N(C)C1=O)c1ccc(Br)cc1 2314547787 MNMAWANLAONZFK-UHFFFAOYSA-N 431.311 4.771 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2317305352 CYYOXUNFTOTSIF-UHFFFAOYSA-N 429.370 4.538 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2N=Cc2cccc3ccccc23)c1 2321106715 RQLPXLSTXCEKCI-UHFFFAOYSA-N 429.549 4.970 30 10 IJEE Oc1ccc2ccccc2c1C=Nn1c(S)nnc1CCCOc1ccc(Cl)cc1 2322238540 UROPJSKAWOWEOU-UHFFFAOYSA-N 438.940 4.973 30 10 IJEE CN(C)c1ccc(C=Nn2c(S)nnc2CCCOc2ccc(C(C)(C)C)cc2)cc1 2322278239 FXBBHJDFIUVBNL-UHFFFAOYSA-N 437.613 4.824 30 10 IJEE NC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(Cl)ccc1Cl 2322999279 VZDCKRZOZKOSQB-UHFFFAOYSA-N 429.097 4.516 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323201593 OLEDZYJNICJDQQ-UHFFFAOYSA-N 445.427 4.812 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(OC(=O)c4cnccn4)c3C)C2=O)c2ccccc21 2323202209 RFHOHCPRKAFWNB-UHFFFAOYSA-N 425.444 4.595 30 10 IJEE CCCCOc1ccc(C=NNc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)cc1 2323230868 PCJIJEZSYIZQSF-UHFFFAOYSA-N 426.904 4.519 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c(OC)c1 2323770118 DLHPSDUUCJVKHF-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)OCC(C)C 2324319854 NZAAOEXJEWUNKN-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccccc1[N+](=O)[O-] 2325725514 QDOIGGPJIDOHDM-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccc(N(C)C)cc2)CC1 2328209797 ZLZXPGBKRUTAPS-UHFFFAOYSA-N 429.634 4.775 30 10 IJEE CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330883089 JSCVIHWNJUEOKC-IBGZPJMESA-N 428.945 4.966 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1 2331273565 QKFGANTXPFKMFZ-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585178 LJSCHWHSJHYGRU-IEBWSBKVSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@H](O)C#Cc3cccc(Br)c3)C[C@@H]21 2360196140 KRKHZEJSVWGOQL-KVPLUYHFSA-N 434.374 4.587 30 10 IJEE CC#CCCCC[C@@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366642735 RIEZCMKZILZDAP-OCCSQVGLSA-N 425.763 4.601 30 10 IJEE C=CCn1c(CCc2ccc(I)cc2)nnc1S[C@H](C)CC 20830879 YZGOLRAGCAGEIM-CYBMUJFWSA-N 427.355 4.745 30 10 IJEE COc1cccc(CSc2n[nH]c(N/N=C(\C)c3ccc(Br)cc3)n2)c1 21081807 QNACWPVOQKVKQZ-CIAFOILYSA-N 432.347 4.704 30 10 IJEE COc1cc([C@@](C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C)ccc1O 32272344 WLKVZSXOMGNZLB-AREMUKBSSA-N 440.584 4.790 30 10 IJEE endogenous,world COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccncc3)C4=O)oc12 41353953 OITSAHULPLHZHJ-NDENLUEZSA-N 427.412 4.980 30 10 IJEE CCc1cc2c(=O)n(Cc3cccc(C#N)c3)c(Cc3ccc(OC)c(OC)c3)nc2s1 96533684 VWTXXRVEOZWYGJ-UHFFFAOYSA-N 445.544 4.548 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)o1 100666134 BGZRRJQGKUCEPS-YUMHPJSZSA-N 437.503 4.989 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(F)c2)cc1Cl 102524763 XYQKGAUZRGPQQC-LCPUNJGISA-N 438.842 4.509 30 10 IJEE CCCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2ccccc2F)C(C(C)=O)=C1C 169930413 YNKWZSRJAQGYFC-QFIPXVFZSA-N 442.556 4.918 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(O)cc2)ccc1F 169963743 OCUCTNAXKKBCFR-OAQYLSRUSA-N 439.389 4.901 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccccc1OC(C)C 169976416 RQKDFZTWOLLORA-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1ccccn1 169994280 WWNGYNWCPQFSRS-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1cccc(C)c1 170139641 QEHVANWABBSEOM-HXUWFJFHSA-N 448.544 4.652 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142627 FCQUFTDNQONPNT-HXUWFJFHSA-N 429.501 4.723 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143272 DXUDMSVXWZECHV-UPVQGACJSA-N 431.532 4.631 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccs1 170157154 XMIAJKJWIZCHBM-IBGZPJMESA-N 441.892 4.899 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(OCC(C)C)cc1 170167463 GNDDAMJZPOTXFN-QHCPKHFHSA-N 435.520 4.645 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccn1 170176166 NJRHYCZYYRMXEW-QFIPXVFZSA-N 428.488 4.798 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)cc1 170200074 RIHOIWWKCJNYET-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)cc1 170205955 PMITXSCBJZBTDP-HSZRJFAPSA-N 439.471 4.525 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1C 170231272 BOSSCRKCTSHGJV-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccco1)c1ccc(Br)cc1 170283628 BKNUCILENAAAEU-GOSISDBHSA-N 440.249 4.531 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccco2)cc1C 170290573 IXZCKJDZCPOGGW-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccco1 170297256 ZNQUOOFFDVQODE-LJQANCHMSA-N 449.850 4.601 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCCC)c1 170324181 XFFJZUGKTLYUGZ-DEOSSOPVSA-N 447.531 4.955 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1 170433216 XYIKFQNNNGCZKS-QHCPKHFHSA-N 439.508 4.618 30 10 IJEE Cc1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3N=Cc2cccs2)cc1 254714309 IEPQEPXWGFDWKR-UHFFFAOYSA-N 436.500 4.536 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 431732431 FDLWKRJIAPOVAI-AWEZNQCLSA-N 441.875 4.757 30 10 IJEE COc1ccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CC(C)C)c(OC)c1 460865268 ZGDBNWJURNACOF-UHFFFAOYSA-N 443.551 4.784 30 10 IJEE C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1Cl 504070381 KSROOXMWWSGFOL-CMJOXMDJSA-N 447.963 4.555 30 10 IJEE N#C[C@@H](NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1cccc(Br)c1 504570039 FSGJELFRKXSOQW-OAHLLOKOSA-N 434.265 4.845 30 10 IJEE N#CCCCCNC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 506502373 AGUUAXUJNRNIBZ-HXUWFJFHSA-N 444.535 4.654 30 10 IJEE C=CCn1c(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)nnc1C(F)(F)Oc1ccccc1 521444232 UDDNGJSCUQEMKP-RKXCMPKHSA-N 446.523 4.527 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)cc2)c1 526489361 HLDMZAKIPNDUFZ-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 544163690 ZDVKUEVKUDYFTR-KRWDZBQOSA-N 437.927 4.544 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(OCC4CCCC4)CC3)n2C[C@H]2CCCCO2)cc1 555471887 UUGYLCDLGRELTI-XMMPIXPASA-N 449.599 4.561 30 10 IJEE N#CCCn1cc(CN2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c(-c2ccncc2)n1 578331666 OMAITWNXVLJZRL-JOCHJYFZSA-N 443.448 4.948 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)Cc1ccccc1Cl 586138264 KCBRMVJXPYEKOH-UHFFFAOYSA-N 440.952 4.920 30 10 IJEE CCc1ccc(S(=O)(=O)OC2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 586506796 CSZHLEGWFXCRCH-UHFFFAOYSA-N 445.625 4.598 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1nc2ccccc2oc1=O 609061943 LOFUPOPRSFMMOE-UHFFFAOYSA-N 439.471 4.518 30 10 IJEE O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)Nc1cccc(OCC(F)(F)F)c1 682145667 DSZBZFHVWJVFEN-UHFFFAOYSA-N 444.434 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 684783144 UDHQQHZFUYJSNH-DOMZBBRYSA-N 447.379 4.621 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ncc(Br)cc1Br 698413603 FNXZPGRTQFZBOL-LBPRGKRZSA-N 433.144 4.817 30 10 IJEE C=CCc1cc(OCC)ccc1OC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727627121 DHJWGNASHADQTG-UHFFFAOYSA-N 436.552 4.683 30 10 IJEE N#CCCN(C(=O)COC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)c1ccccc1 732680932 NPGVFMLOUAMOHQ-UHFFFAOYSA-N 436.414 4.861 30 10 IJEE C#CCOc1cccc(-c2noc(Cn3c(-c4scnc4C)nc4ccccc43)n2)c1 761781492 IKZGLDYXZILLJW-UHFFFAOYSA-N 427.489 4.579 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2c(C)ccc(O)c2Cl)c1 777514738 SHQXGCMZGYFKKY-UHFFFAOYSA-O 446.939 4.818 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)/C=C/c1ccccc1C#N 781658543 KFNJAHMUYLTTRJ-MDZDMXLPSA-N 441.325 4.913 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(C(=O)OCc2cc(Cl)ccc2OCC#N)c1 787876491 YEEQDIODRNZFGS-UHFFFAOYSA-N 430.888 4.624 30 10 IJEE C#C[C@@H](NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 812748610 WHGNKJBXWMCICZ-LJQANCHMSA-N 441.300 4.975 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)c(C(N)=O)cn1)c1ccc(C)c(C)c1 1124463844 LIRCNMSOMAMKKB-UHFFFAOYSA-N 429.520 4.518 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1125552955 XTWWQWGXVXQVBH-XMSQKQJNSA-N 442.346 4.599 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 1126144956 CUBZIXRIGHDXLX-MHZLTWQESA-N 439.334 4.881 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CCCN1C(=O)OC(C)(C)C 1126498680 WNHPHEICLAQUSY-VVZHRXSXSA-N 442.600 4.925 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCCC1(C)C 1128469262 OZPLBHVRPVVRGH-FPOVZHCZSA-N 429.630 4.532 30 10 IJEE N#CCc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)c1 1129088202 GRMHVYZBBWUOIC-UHFFFAOYSA-N 443.887 4.598 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)c2C#N)CC[C@H]1C 1129472174 FGJOBPMHCKNDLO-NEPJUHHUSA-N 440.550 4.789 30 10 IJEE C[C@]1(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCN(Cc2ccccc2)C1 1130609102 BJPCMXNGIHFXBS-SANMLTNESA-N 429.495 4.884 30 10 IJEE C=C[C@](C)(CC)C(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1134234921 SRIIALLJKZRKPI-OSWQYVSFSA-N 428.573 4.745 30 10 IJEE C#C[C@H](C)NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(C)CC1 1138698603 WRAPJFLUOBPUCS-ZVOWCHSISA-N 430.548 4.612 30 10 IJEE C#C[C@@H](CCC)NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1139967130 FYALGPHDEPGQFS-RTWAWAEBSA-N 444.575 4.956 30 10 IJEE C#CCN(C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O)C1CCCCC1 1142868819 AIQFMNUGDZVUDX-UHFFFAOYSA-N 425.838 4.658 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)cc21 1157639602 GUYUDVHPYGUOGV-HXUWFJFHSA-N 446.454 4.611 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCCc3cccc(OCC(F)(F)F)c3)c2c1 1163126924 HISRBYWEESDPJV-UHFFFAOYSA-N 431.414 4.719 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccn(-c3ncccc3F)n2)cc1OCC 1178218014 CZIIHNGQTLLEGF-UHFFFAOYSA-N 447.308 4.745 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)cc2)nc1 1199244367 ATYSZAGWLKOZJL-OAQYLSRUSA-N 436.418 4.629 30 10 IJEE CC(=O)N1CCc2c(NC(=O)Nc3cnc(Oc4ccccc4C#N)cc3C)cccc21 1207350854 YIYSXJFGUXEPDQ-UHFFFAOYSA-N 427.464 4.607 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)Cc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1221962003 QJKRGMFJTOWEKR-FQEVSTJZSA-N 448.007 4.705 30 10 IJEE C#CCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1251568597 VWVPNFUZTQCQMY-KNQAVFIVSA-N 427.589 4.792 30 10 IJEE CCc1[nH]c(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c(C)c1C(=O)OC 1264450691 CWPUADQSFNFBFQ-UHFFFAOYSA-N 433.483 4.838 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)c1 1264918886 ANAHIAWMPURODI-FQEVSTJZSA-N 444.556 4.714 30 10 IJEE C#CCSc1ccc(COC(=O)Cn2c(-c3scnc3C)nc3ccccc32)cc1 1269314077 GYAGQQOKCZSUHO-UHFFFAOYSA-N 433.558 4.937 30 10 IJEE CC[C@@H](C)n1c(SCC(=O)Nc2nc(Cl)c(C#N)s2)nnc1-c1ccccc1 1272289470 GUYSIZIPIYGURA-LLVKDONJSA-N 432.962 4.628 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCc1c(C)noc1C 1286461128 NNPAJTIDMRZJGP-UHFFFAOYSA-N 435.547 4.637 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCC[C@H]2C)CC1 1286474268 GNKIVLORSIVDAX-ISKFKSNPSA-N 449.643 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](OC)C(C)(C)C1 1286554855 ZLYZMQZLNMUDNI-YSSFQJQWSA-N 448.970 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCCC2)nc1 1286569101 CYGVOGGFSRQOKE-UHFFFAOYSA-N 430.600 4.953 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1)c1ccccc1 1286677642 GTZUGBQLOVPIEP-PKTZIBPZSA-N 435.616 4.504 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1286701574 YSRGIJSSSGYXGO-MOPGFXCFSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1cccc(OC)c1OC 1286746623 ABXJJUKQFWWOJW-UHFFFAOYSA-N 426.586 4.895 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@](C)=O)CC1 1286754971 YCGOYSDZANRXEY-LJAQVGFWSA-N 447.029 4.903 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286772021 GVIQAWZOBYJOCZ-MSOLQXFVSA-N 433.394 4.842 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCS[C@@H](C(C)C)C1 1286795708 LMZYQUXZJQVAAQ-JOCHJYFZSA-N 435.597 4.531 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCC1 1295588385 DJPIDWBSBJPGFV-UHFFFAOYSA-N 441.988 4.863 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O 1297409746 WSBIBRPLNJLZHH-UHFFFAOYSA-N 439.600 4.508 30 10 IJEE C#C[C@@H](CC)NC(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1297452613 YRBNZZNFTNZPOP-SBUREZEXSA-N 436.939 4.564 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)C(C)C 1300283337 SUZKAINTRQYLES-KRWDZBQOSA-N 425.577 4.611 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](COC)C1 1300383679 FALJXWKOBPLOFO-OALUTQOASA-N 430.980 4.574 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1300769401 GGDHNADSPITAKZ-KDURUIRLSA-N 426.630 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN(C)[C@@H](C)CC 1300904569 AGXFIQYCFDUGDB-KRWDZBQOSA-N 434.426 4.840 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1300982718 OUHIAEBYRMEFBH-FXAWDEMLSA-N 439.362 4.697 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1301072246 GIIAUOVJSZIEJL-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1301072544 LBWKIXGFCPOVTD-MAUKXSAKSA-N 449.418 4.907 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1301074894 OPZVRUWPYBTOSW-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE COCC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@H](C)CC#N)CCCCC1 1301146618 DGDVNLQKDQTHSU-OAQYLSRUSA-N 439.604 4.809 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCOCC1 1301175984 MULPRHMMNCJKSX-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C)[C@@H]1C 1301246433 UMRYOHQYYBGWRQ-JKSUJKDBSA-N 437.009 4.530 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1301314656 ZNWPEKOJTVJRBX-PGRDOPGGSA-N 441.595 4.832 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCc2ccccc21 1301425251 FJXBTLDYRHQEJP-MDNUFGMLSA-N 438.616 4.566 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1301606951 ZJWKELZHEAYECS-LJQANCHMSA-N 447.967 4.563 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCCCC2)c1 1304268308 GSAMQHMILSREMQ-FQEVSTJZSA-N 439.604 4.580 30 10 IJEE CC1CCN([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC(CC#N)CC2)CC1 1305064445 DBUKVDGECWGTJO-QHCPKHFHSA-N 448.659 4.704 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(C)C)C1)OC 1305358054 FRBWBLRTXQZRRI-IEIRFRATSA-N 439.604 4.662 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Oc2ccc(Cl)cn2)CC1 1308053897 BWUPJTGPCCBKHS-MRXNPFEDSA-N 444.988 4.611 30 10 IJEE C=CCOc1ccc(CNC(=O)NCC2(Cc3ccc(Br)cc3)CC2)cc1 1312675654 TUKAYVVYTPNLKO-UHFFFAOYSA-N 429.358 4.836 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)C1 1323755666 LOWDMKHXQSPZPO-OAHLLOKOSA-N 425.382 4.841 30 10 IJEE Cc1cc(C)c(N2C[C@H](C(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2=O)c(C)c1 1353894379 IFHVSXFBVKGXDE-OAQYLSRUSA-N 440.547 4.883 30 10 IJEE C=CCCC[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 1358121484 WUNGBWMVBGYWMC-ZEQRLZLVSA-N 426.988 4.970 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1358873730 NMEDTGPVEGENCF-AABGKKOBSA-N 441.595 4.526 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCC1CC(OC(C)(C)C)C1 1358970023 CQTOGPRQQCJZOC-HQNXYIODSA-N 432.612 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(Cl)s1 1358984887 JOGOZVFHKJCKDE-INIZCTEOSA-N 442.947 4.783 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc2c(n1)CCCC2 1359000841 FZMJLNVBXXWLOV-SFHVURJKSA-N 449.986 4.853 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1359003840 ZJLUVRDZQOYHJU-PXNSSMCTSA-N 445.405 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(O)CCCCC1 1359063832 FOBIEJKSEMASFR-SQJMNOBHSA-N 436.600 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCCCC1 1359074002 MSOVZZNKAUGJFI-HHHXNRCGSA-N 449.643 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccnc(OC2CCCCC2)c1 1359110203 DPBBYUPIUWUTEC-UHFFFAOYSA-N 432.572 4.897 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H](C)C#N 1359127123 JAGVAPAIBNPPKO-LJQANCHMSA-N 432.572 4.541 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359210812 IOUGSGDPTIKDDZ-OYRHEFFESA-N 439.648 4.754 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@@H](C)C1 1359244554 ICRJDTCBEZBSAQ-GJZGRUSLSA-N 425.360 4.601 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1Cc1nncn1-c1ccccc1 1359261325 DYSLANFSSGZMKA-GOSISDBHSA-N 433.585 4.675 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCSC(F)(F)F 1359263633 HRBREDQJANYKGA-CQSZACIVSA-N 432.537 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1359273735 MALFTEATXPLOIM-NRFANRHFSA-N 443.636 4.836 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1c(C)noc1C 1359276964 XVPGGRKHTUWBKR-QGZVFWFLSA-N 434.544 4.520 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC(C)C 1359338325 RKMWFGVAFSPDPZ-UHFFFAOYSA-N 439.423 4.728 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CCCS2)c1C 1360865551 DCMVFQXJMQLTCX-HFXUHXBXSA-N 427.618 4.917 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)C1 1437062151 UKQKFIDJXZTVCF-GOSISDBHSA-N 444.531 4.803 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1448116657 HUFBCUODHKJYJW-QHCPKHFHSA-N 425.460 4.638 30 10 IJEE C#C[C@H](NC(=O)c1cccnc1Nc1ccccc1OC)c1ccc(Br)cc1 1450277485 VDEHRWCYKJDNIN-SFHVURJKSA-N 436.309 4.701 30 10 IJEE C[C@H](C#N)N(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C1CC1 1461405745 CRQRUSRITULOSO-OAHLLOKOSA-N 437.956 4.583 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NCCC(=O)OCc2ccccc2)cc1F 1465762785 AYTZWFGVBYJUIZ-UHFFFAOYSA-N 433.439 4.745 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H](COc2ccccc2)c2ccccc2)n1 1466152371 BRJONNRKQUHQNP-JOCHJYFZSA-N 441.466 4.825 30 10 IJEE C#CC[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)C1 1466532531 YFINJEQZGPBGIM-FQEVSTJZSA-N 439.581 4.559 30 10 IJEE N#CC[C@@H]1CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1470048980 DLDZJBYSUFHBDW-YWZLYKJASA-N 431.305 4.861 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 1470075747 ZMCJVIZWUSROAH-JTSKRJEESA-N 430.545 4.800 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1csc2ccc(Cl)cc12)c1ccc(Br)cc1 1475334922 ZSAUHYGNWGHHOZ-OAHLLOKOSA-N 440.771 4.970 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NCc3c(F)cccc3-n3cccn3)c2)cc1 1476130495 CWFZKZZUHWJVRQ-UHFFFAOYSA-N 427.439 4.997 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)Cn1cccn1 1476791967 AIVHFJMTVPRUEX-NSHDSACASA-N 426.336 4.630 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1478895896 IRMYSQCUUCKNFJ-NJDAHSKKSA-N 439.943 4.504 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)c1ccc(Cl)cc1F 1478900794 OGJRMFZIQVGYEU-LEWJYISDSA-N 426.875 4.692 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1507579853 JUSWIZYSTASWDM-VWNXMTODSA-N 436.600 4.789 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1Cc1cc(Br)cs1 1507695042 SZDNFBNCKDQMIW-UHFFFAOYSA-N 443.414 4.785 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](C)[C@H](C)C1 1507792108 DVGHZDJRFAQLGE-HZPDHXFCSA-N 449.393 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)s1 1507803301 GJMKKRWOJABPAR-XXBNENTESA-N 440.588 4.996 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(OCC)CCCC1 1507809603 WKYVQZIAMBOTOT-UHFFFAOYSA-N 439.604 4.899 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](c2ccco2)C1 1507833964 RWFRIPKGULXUJB-INIZCTEOSA-N 443.345 4.783 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1507838365 QMTXGNRCFFOTNY-XXBNENTESA-N 438.616 4.839 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cccs1 1507841005 SWDPDVWCVOFBOY-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1507868231 GDUABPILZQXSRF-UHFFFAOYSA-N 442.894 4.586 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C2CCCCC2)N(C)C)CC1 1507885843 QRMIHSBDAOEKMK-HSZRJFAPSA-N 425.596 4.675 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2cccs2)CC1 1507888707 BJBVGLVGLPLVSN-HDICACEKSA-N 443.617 4.509 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1507897745 LCNBEEYBPUPZFB-RDJZCZTQSA-N 448.409 4.643 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1507927294 PITJJHJPFAZGNK-MJGOQNOKSA-N 426.561 4.706 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1507928955 NCOIIYXTDRHGDE-HSZRJFAPSA-N 444.627 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCCOC(F)(F)F 1508004559 HVTNBFMEFQFJPZ-UHFFFAOYSA-N 435.425 4.598 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)c2c(C)noc2C)C1 1508113272 WJDUQWYJPWHMDO-MAUKXSAKSA-N 441.963 4.788 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1508154413 WMDMOFHPZUZERJ-JTHBVZDNSA-N 449.624 4.863 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)NCC3(CN4CCOCC4)CCCCC3)cc2)cc1 1517082778 BYEHFVHFZAUSPG-UHFFFAOYSA-N 447.579 4.557 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCNC(=O)c2ccccc2OCC)c1 1520606197 AEOINBGVGWGKHK-UHFFFAOYSA-N 440.543 4.810 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1ccc(Cl)cc1 1525038629 MPTZHOXUZMRCQP-IBGZPJMESA-N 428.717 4.701 30 10 IJEE C=CCOc1ccc(CC(=O)N(C[C@H]2CCCO2)c2ccc(Br)cc2)cc1 1526403734 XLTHAZKRPKQUGQ-OAQYLSRUSA-N 430.342 4.769 30 10 IJEE COC(=O)C1(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCCCC1 1528600581 CAQPLSDOPHTQLO-UHFFFAOYSA-N 426.900 4.857 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1)C1CCOCC1 1532934075 KGAHUUHZOHPVDQ-DEOSSOPVSA-N 428.488 4.824 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3C(F)(F)F)C2)c(F)c1 1534016644 DRNVXPMWFAMQLM-YRISNDGFSA-N 445.460 4.995 30 10 IJEE COC(=O)c1sc(COC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)nc1C 1534779289 IBJHUKXZIDCSSY-UHFFFAOYSA-N 442.880 4.913 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 1538215404 TWGHSPOMHCMHSG-OWSFEGEDSA-N 438.955 4.616 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)C1CCCCC1 1538974728 YPHFGTCTXAUHKK-NIYFSFCBSA-N 431.584 4.591 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1539505997 GVEUANVKKONEJF-AZUAARDMSA-N 442.629 4.734 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@H](C)C1CCC1 1539587624 IDGWEUQGPPFYPQ-OAHLLOKOSA-N 447.377 4.640 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1ccccc1 1539633844 ACSNGVYXIYTZDP-PMERELPUSA-N 442.562 4.989 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(CC(C)C)C1 1539656516 VWKUVNDYXOXFDD-NRFANRHFSA-N 425.621 4.724 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1539811103 AZURHDZJEAGAII-OAQYLSRUSA-N 442.032 4.641 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1539947650 PQCQKCPLBRPVMH-GOSISDBHSA-N 449.559 4.594 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](C)[C@H]1C 1540004487 AAPGBJOTEXRSQL-QZTJIDSGSA-N 449.665 4.689 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1540006197 ANLKOLBZZOIUJB-KRWDZBQOSA-N 426.458 4.522 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)o1 1540014511 OOKYCNFIUPVDKB-UHFFFAOYSA-N 449.324 4.954 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1 1540147989 YJFABDZNIHVACP-HXUWFJFHSA-N 425.627 4.804 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1OCCC1(C)C 1540158474 IXIYRWCPPJELOR-OAHLLOKOSA-N 437.407 4.763 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCn2cc(C)nc21 1540174531 NNUBYWJAJVNCNI-QFIPXVFZSA-N 446.599 4.735 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccco1 1540332890 OAGNSVUMTREONK-DEOSSOPVSA-N 430.504 4.769 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccccc2N2CCCC2)CCCN1C(=O)OC(C)(C)C 1540571055 BIYDKHPNHMFFPP-VWLOTQADSA-N 427.589 4.591 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC(F)(F)F)C1 1540884685 TVCNDOPIEGAWHV-YJBOKZPZSA-N 442.457 4.681 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 1543727856 JNGGAWXLCNFNSK-UHFFFAOYSA-N 437.337 4.799 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1ccccc1 1556872161 HWWJKCIHFNOZGQ-UHFFFAOYSA-N 426.925 4.974 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCOC[C@H]3C)cc2)cc1OC 1560378566 GWVKBWPJLRYKKV-MRXNPFEDSA-N 447.373 4.860 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 1562906921 IAUSGVHTMLARDX-UHFFFAOYSA-N 440.519 4.973 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(C(F)(F)F)cc1 1564005311 IJOOVAAFYHSPEI-OALUTQOASA-N 449.448 4.957 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1564190025 SULYSOWUHFTWGX-OAQYLSRUSA-N 432.561 4.610 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1567780793 RNCTWNFGZRMXQX-NRFANRHFSA-N 443.494 4.700 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CCCO1 1567815024 YUFWMGBTDSTCAU-MOPGFXCFSA-N 432.307 4.548 30 10 IJEE O=C(OCc1csc(C(F)(F)F)n1)c1cnn(-c2ccccc2F)c1C(F)(F)F 1586313958 BGJKWYFOWJWHLM-UHFFFAOYSA-N 439.312 4.863 30 10 IJEE CCN(CC)Cc1ccc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 1587500613 BJQQXFOJTOYZOL-UHFFFAOYSA-N 427.548 4.909 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1587599494 OFHJEKSFVXAPQF-KBAYOESNSA-N 429.996 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1nc(C2CC2)cs1 1587603608 NRPCIPXCDYIKRF-ZDUSSCGKSA-N 442.386 4.548 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1587765128 AYCKRTAGNTVRMI-SMIHKQSGSA-N 436.600 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1csc([C@H](C)OC)n1 1589614819 HTRFQIJXQLAXIJ-AWEZNQCLSA-N 432.981 4.608 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)C)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1589664259 WPGHCTCLQKUEST-LJQANCHMSA-N 431.625 4.669 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1593851680 ATLIEDNQHAMBNM-MJGOQNOKSA-N 448.995 4.889 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(Br)ccc2F)CC1 1594091398 ZQZGANLKALGWRR-LJQANCHMSA-N 449.368 4.820 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1594226347 LDEYBDCCDQLSDW-UHFFFAOYSA-N 433.890 4.979 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1594491858 MQQBTCPYMLIYAD-FQEVSTJZSA-N 439.604 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC(F)(F)c1ccccc1 1595157244 ZUVWCWYMCLAYFK-UHFFFAOYSA-N 440.523 4.725 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C)C1)C(C)C 1595165235 DCOXKYHFUQDQSS-FPOVZHCZSA-N 443.039 4.928 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCc1nc(C)c(C)s1 1595195869 BWKYKNSEJVMSQS-UHFFFAOYSA-N 430.581 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1595212007 KDJHIBSWNYMQAC-UHFFFAOYSA-N 427.593 4.681 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1C(F)(F)F 1595212561 QFSHVJAHQPLGHL-IBGZPJMESA-N 436.478 4.774 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC(c3cnn(C)c3)CC2)cc1 1595608286 QFFSKBSRXPAYQR-IBGZPJMESA-N 434.588 4.522 30 10 IJEE CC#CCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1598064531 WRABDJOEQOCZCK-RUZDIDTESA-N 430.548 4.614 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(F)c(Br)cc3C2)cc1OC 1611217887 XNOCFDHBGXYNCP-FNORWQNLSA-N 446.316 4.760 30 10 IJEE C=CCn1c(S[C@@H](CC(C)C)C(=O)OC)nc2sc(-c3ccccc3)cc2c1=O 1613427300 XETDUMHJJKRBKF-SFHVURJKSA-N 428.579 4.991 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 1620795024 REVYLIKOKPTYBC-UHFFFAOYSA-N 427.838 4.557 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1OC 1624927454 CQBARYHEDSNHEM-HSZRJFAPSA-N 444.522 4.884 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1636687476 YWYYOHYNJAZLGF-SJORKVTESA-N 440.506 4.887 30 10 IJEE N#Cc1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2c(c1C#N)CCCCCC2 1639182318 FXIHUQXUWJEJMV-UHFFFAOYSA-N 439.485 4.829 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(Br)cc(I)c2C)C1 1641029451 DVERVQSHCVVTGU-LBPRGKRZSA-N 448.142 4.790 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H](C)Cc1cc(C)nn1-c1ccccc1 1650802918 QNFHFYSZFPGHRN-QGZVFWFLSA-N 438.369 4.676 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)[C@H](CO)c3ccccc3)c2C#N)C1 1652437298 CWCCWDACIAATIG-WIYYLYMNSA-N 439.625 4.765 30 10 IJEE C=CC[C@@H]1CCCN(CC(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)C1 1655009833 FPYGISIHICZFCL-HYBUGGRVSA-N 431.580 4.713 30 10 IJEE C[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1657039416 FXSPRALQOFWPOG-CTNGQTDRSA-N 437.588 4.589 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)Cc1cc(C)ccc1Br 1657143289 LXTSEIZLKZNEQO-OAQYLSRUSA-N 432.383 4.600 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCSC3(CCCCC3)C2)n(-c2ccc(F)cc2)c1C 1657522503 CELDNPSMVNNDPJ-UHFFFAOYSA-N 440.588 4.795 30 10 IJEE Cc1ccc(NC(=O)N2CCN(Cc3cc(C#N)ccc3Br)CC2)cc1Cl 1658084987 DYNTXNIARUZQKZ-UHFFFAOYSA-N 447.764 4.632 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 1658618684 AXOUGJKOVOCCNG-UHFFFAOYSA-N 432.303 4.815 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1c(C)sc(C)c1Br 1660919948 ABONLIMKSMBEDP-UHFFFAOYSA-N 430.389 4.513 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1C)c1ccc(Cl)cc1 1663717046 CHRIWOCTPJFBLG-HNNXBMFYSA-N 433.154 4.717 30 10 IJEE C#CCN(C(=O)Nc1cc(C#N)c(F)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1664251596 WYOZWTHZEJXBOJ-GOSISDBHSA-N 446.251 4.590 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1666717446 PQZAVCUINGOTFT-VWNVYAMZSA-N 433.618 4.610 30 10 IJEE CCN(C(C)=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1 1673001780 BRINRLWQIRCINI-QGZVFWFLSA-N 427.508 4.876 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 1680738738 PPLFOHJPWABPGW-BTIFBSDPSA-N 435.971 4.964 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)CC(C)(C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1 1680854304 FBFGQXGMNREFOA-HXUWFJFHSA-N 441.538 4.713 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2cccc(Br)c12 1681742951 GSSVVJZTLFEFHW-UHFFFAOYSA-N 439.357 4.966 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c1 1682197765 YNAVHCLQEQBRGC-NRFANRHFSA-N 440.385 4.515 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 1684811971 FMBJFCSXIPIWRI-AREMUKBSSA-N 430.596 4.925 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1)c1ccc(Cl)cc1 1686918431 LSAXTODPMNXQOJ-JOCHJYFZSA-N 449.938 4.871 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(CCC)CC1 1689835762 RZZUNXOLRISOMT-OAHLLOKOSA-N 431.378 4.754 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(=O)CCC)C1 1689919540 RFUWWHSZZHRWEO-KRWDZBQOSA-N 448.398 4.550 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1690223110 DXXTXFOBWMSVNI-RHSMWYFYSA-N 447.377 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CCC 1690241593 USWSHIYVYUMQNL-XXBNENTESA-N 436.556 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1([S@](C)=O)CCC1 1690258667 OWPGYHWFAFCQLS-ZOKDDAQRSA-N 446.686 4.835 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CC2)CC1 1690404594 KPJNSDUJMROZCD-PMERELPUSA-N 426.630 4.556 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1690412249 JTMZTOQBKLBION-FQRUVTKNSA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1690424329 LGHMPPUJLHOJLS-UHFFFAOYSA-N 447.612 4.511 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1690434848 JBWBFQXDMMOVGI-NRFANRHFSA-N 426.580 4.863 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CCOCC2)C1 1690476450 CZPSIBGOYQNERE-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1690523804 PDQHTFBTPWAOBR-UHFFFAOYSA-N 448.571 4.860 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCC(C)CC1 1690565094 ACPZKIQTDIPIQH-VWNXMTODSA-N 437.632 4.833 30 10 IJEE C[C@@H]1CC[C@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H](C)CC#N)C1 1693611156 CPKVQGUNJXQRRI-QRVBRYPASA-N 444.624 4.567 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)CC1 1693696871 GUTZUABGNDLDQI-LGVFNWMJSA-N 434.632 4.952 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)CC1 1695468534 DBHWWPLLWKPNOA-NRFANRHFSA-N 427.618 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CSCCS1 1705505900 PKJKUPIWKGUIMU-WMLDXEAASA-N 439.075 4.530 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(Cl)ccc1OC 1705539910 HMRLVPYTJLMDHB-TZIWHRDSSA-N 445.007 4.909 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C1CCCCC1 1705558231 NVMDDNNKGXAUPG-UHFFFAOYSA-N 432.037 4.558 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1705605097 AUKMSDBZEBAECX-QHCPKHFHSA-N 444.627 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCc1ncc(CC)s1 1705669302 ILUQFJDJGKFPIE-JOCHJYFZSA-N 425.989 4.852 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(C)ccc21 1705725180 MZOIROJSMOYSMX-HXUWFJFHSA-N 437.588 4.971 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC2(OC)CCCC2)CC1 1705765922 HEXQGERHRXYCMY-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1705784169 KHEGFMZIYANLKR-REWPJTCUSA-N 438.616 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CC1(C)CCOCC1 1705871135 YXHGMTCCHGJPAL-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(CC)s2)C1 1705924052 SWLYETVREVGCJT-MRXNPFEDSA-N 444.551 4.601 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCCC1 1722415588 CARMPSXTAOZUQO-UHFFFAOYSA-N 432.037 4.558 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1Cc1ccnc(SCC)c1 1722421599 IWICPPQVCNBOHK-UHFFFAOYSA-N 435.572 4.565 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(C)C1CCCCC1 1722498861 FPFZSBOJKLFRAO-DVECYGJZSA-N 440.588 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1722512072 WFDZUZFIRIDGMZ-FQEVSTJZSA-N 425.621 4.867 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](CC(N)=O)C1 1722597492 NLBPFQZPAIYOHZ-QZTJIDSGSA-N 441.645 4.580 30 10 IJEE C=CCCCn1c(N2CCO[C@H](c3ccccc3Br)C2)nnc1C(C)(C)C 1722622333 IBWXVBPXBNXYTO-SFHVURJKSA-N 433.394 4.882 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)OC 1722653366 ZGJFBMIGHNHFJW-UHFFFAOYSA-N 441.963 4.620 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722658191 GPZNNWPYZUIUQP-FQEVSTJZSA-N 441.620 4.925 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722683898 CEYFGAYUBXXFLZ-UHFFFAOYSA-N 436.629 4.516 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nccn1C(F)F 1740663420 IOCVQXMNTQXEEV-UHFFFAOYSA-N 446.914 4.913 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740674987 AFQSLLIIKMJQIS-BSRJHKFKSA-N 445.032 4.625 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccs1)N1CCCC1 1740772718 LPABNTQFQQIXAK-PMACEKPBSA-N 429.634 4.821 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc(O)cc2C1 1740779505 KAFCRIRSZQEWLF-UHFFFAOYSA-N 431.359 4.614 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1740814873 GIEXUKKHVLMZHE-SFHVURJKSA-N 445.007 4.912 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN(CC)CCC)CC1 1740821633 OOAMGMNATFEGFT-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCSCc2ccc(C)cc2)CC1 1740841063 QHNUEGHJOSBBKQ-UHFFFAOYSA-N 433.625 4.908 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740857755 BEZOBTPXKGPNFY-HNNXBMFYSA-N 444.004 4.836 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1740879884 OYUSCOOMRMJTJV-UHFFFAOYSA-N 434.588 4.553 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nc(C(F)(F)F)cs1 1740892407 GDXQQXFNVLBTIU-UHFFFAOYSA-N 444.486 4.948 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1ccc(Cl)s1 1740895036 QBJIABJCJNWCHH-UHFFFAOYSA-N 432.977 4.932 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1740912095 REVMBODPXSRKDW-WOJBJXKFSA-N 439.623 4.919 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCc1nc(C(F)(F)F)cs1 1740915566 LDTQQUCRIZHUNB-UHFFFAOYSA-N 437.491 4.506 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CC1=CCCOC1 1740919396 FBJOBCZHLXYVFX-UHFFFAOYSA-N 439.922 4.672 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(CC)s2)C1 1740983770 PJCLIJJBMJAZPN-FQEVSTJZSA-N 438.597 4.619 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOC2CCCCCC2)C1 1741984162 HSOIGRFGCFIGAO-RUZDIDTESA-N 432.572 4.686 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1748721222 FAIRMENSBSBTEM-RDPSFJRHSA-N 429.568 4.664 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1CCC(OC)CC1 1748908201 VTWZYXOEOKANFT-LWEYNCJUSA-N 428.552 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCOC[C@H]1C 1749058879 RONJAWHGOPBJCF-XCGNWRKASA-N 433.383 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCC 1749065966 FFHXLNDFBOOTDA-YADARESESA-N 429.609 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1749131353 RAAZHFUHJAOICS-AUSIDOKSSA-N 439.560 4.535 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1749311319 MHWQTCWCEISYIA-CPJSRVTESA-N 440.588 4.760 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1nccs1)c1ccccc1 1749385735 UFGKHXTXGRNRIY-FQEVSTJZSA-N 430.581 4.717 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](CN2CCCCC2)C1 1749400477 CAQVURMHJZXSBN-OAQYLSRUSA-N 425.596 4.677 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1749411756 FNTZVESRBQLYIA-HXUWFJFHSA-N 434.588 4.735 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749438253 SYJLHAZCHBUZHV-UHFFFAOYSA-N 431.540 4.877 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@](C)(CC)O1 1749473788 QYLKCDVWSDIZRH-UGSOOPFHSA-N 425.396 4.739 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCc1cccs1 1749532710 WSVSVMPYYDYFRM-QFIPXVFZSA-N 433.581 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC1(C)C 1749544530 JHKZVTMXDBNCEW-SFHVURJKSA-N 427.618 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)C1 1749701263 RMBAWLJBBSSCRK-WXFUMESZSA-N 438.616 4.740 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCN(C(C)C)C2)C1 1749701598 XBKLSULKBHNGCW-SIKLNZKXSA-N 444.023 4.500 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)c1ccccn1 1751097041 CHQQYZCQTHDVLS-QGZVFWFLSA-N 438.963 4.622 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccccc2OC2CCCC2)n1 1751599656 CLXVGSHZHRMJGC-IBGZPJMESA-N 430.556 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1Cc1ccc(-c2ccsc2)nc1 1760123009 WPAHBDFCHFMYQO-IBGZPJMESA-N 443.576 4.795 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C(C)C)C1 1760131925 DZSUSFQWQGQKDF-DEOSSOPVSA-N 448.567 4.782 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(Br)c1 1760137902 YZCXOEDTSANNIB-LJQANCHMSA-N 431.378 4.722 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](CCC)C1 1760276307 ZCXJYTMHBFUZAC-MJGOQNOKSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCCOC(C)C 1760289543 QCMQUIKLYFXWME-NTKDMRAZSA-N 428.552 4.755 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1760347182 IITAVNGBLHPNQR-FQEVSTJZSA-N 432.515 4.766 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760348854 OIBZLTQXCCKRJF-IPMKNSEASA-N 429.634 4.922 30 10 IJEE C=C(Cl)Cn1c(N(CC)Cc2ccc(Cl)s2)nnc1[C@@]1(OC(C)C)CCOC1 1760388996 ZSVSWOBIGSVLBM-LJQANCHMSA-N 445.416 4.813 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(C)(OC)C1 1760408103 BSPHEGQWILAOAY-UHFFFAOYSA-N 436.556 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760408784 RQWMEMWWOWGFPM-RTWAWAEBSA-N 440.588 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCOC1 1760433631 JENOLKCPSLSUKQ-CQSZACIVSA-N 439.785 4.800 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760433798 VYBJAXKLTUPUOB-XZOQPEGZSA-N 433.604 4.836 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC(C)C)C1CCCC1 1760440455 KJFBDNYSGACBFG-UHFFFAOYSA-N 437.636 4.823 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nccs1)C1CCCC1 1764823040 DVNXMAYEGKGGKR-KRWDZBQOSA-N 436.585 4.758 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1 1765818833 CTOAWGUIDYOXIG-HXUWFJFHSA-N 441.023 4.993 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=Nc1cccc(C(=O)O)c1 1772733569 CAZLKYAQWDKEJY-WVDMDKAXSA-N 433.283 4.530 30 10 IJEE C=CCN1C(=O)COc2ccc(C(=O)CSc3nc(-c4cccs4)cs3)cc21 1860807013 BDPLXXCSKQGAAL-UHFFFAOYSA-N 428.560 4.758 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccccc1Cl 1861913975 JCCRQRMZRZCUKV-NRFANRHFSA-N 428.985 4.572 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(F)c2)cc1C 1862402218 TYIXUUROMSOKCQ-NRFANRHFSA-N 437.492 4.983 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C(C)C)c1 1862469673 SZEYJEZHZUZGHT-LJQANCHMSA-N 444.325 4.835 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)ccc1F 1862508226 ZERLSJOCUKQWSS-HSZRJFAPSA-N 449.453 4.800 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2)cc1 1862554587 GMYOJJYKYUHMHJ-WAIKUNEKSA-N 428.488 4.617 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc3cc[nH]c3c2)c1 1862561841 YAWLICZKZBVJQS-QHCPKHFHSA-N 441.462 4.668 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(O)c1 1862639174 RYOMKMUOZDHGLK-NRFANRHFSA-N 427.472 4.699 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(OC)c(O)c1 1862727917 OZDJXCHYRFSGMY-XMMPIXPASA-N 441.483 4.832 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(F)cc2)c1 1862735614 OZFGAGKXKNHCHA-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3ccccc3[N+](=O)[O-])C2=O)c1 1862864597 HGWZQPRWJUPHMW-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863238870 JHSTYOFOZKMSSE-UHFFFAOYSA-N 441.443 4.765 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2ccc(OC)cc2)C1=O 1863328703 VTRQYOMJRFWRGI-UHFFFAOYSA-N 425.488 4.817 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3ccccn3)C2=O)cc1 1863388608 RNKXYITXVAKIMV-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCN1C(=O)C(NCc2cccc(C(F)(F)F)c2)=C(c2ccc(OC(C)C)cc2)C1=O 1863695340 DTSJJRRXSDSHNS-UHFFFAOYSA-N 444.453 4.548 30 10 IJEE CCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867012163 VKUFNDHDFJNUOT-RPWUZVMVSA-N 433.552 4.764 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(C#N)nnn1-c1ccc(Cl)cc1 1870156731 BLDJVLBVCDEKQV-SNVBAGLBSA-N 436.686 4.505 30 10 IJEE C=CCOc1cn(CCCOC)c(CSc2nc3ccccc3n2CCC)cc1=O 1870244421 OHYZWTJTRAZIHX-UHFFFAOYSA-N 427.570 4.502 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(N(C)C)cc1)C3=O)CN(CCCOC(C)C)CO2 1871351595 HGZVJHYTZNKTEH-QRVIBDJDSA-N 436.552 4.644 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)cc(C)c3C2=O)o1 1871442661 CCOQLYMEOLHUIU-UKWGHVSLSA-N 425.387 4.808 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)nc(Nc2ccc(OCCC)cc2)[nH]1 1871726829 NZMKRRBXQRYAMV-UHFFFAOYSA-N 448.546 4.756 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871829510 KDGKSNZINZSNKG-QFIPXVFZSA-N 432.561 4.789 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871857840 NEWSFRJIXNAAFQ-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871997224 KYDFHILGOJCSQG-AVRDEDQJSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872268864 ZUNDIMVRWLPUCP-AUSIDOKSSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872304115 MKYINOQEOKBRJW-LJQANCHMSA-N 441.380 4.896 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1cccs1 1872423756 WXDLWEHLDMGTGS-GOSISDBHSA-N 426.991 4.550 30 10 IJEE CCCCCCCCCCNC(=O)Cc1nonc1OCCCOc1ccc(OC)cc1 1872657062 PMYNQRFMQLGLGH-UHFFFAOYSA-N 447.576 4.726 30 10 IJEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 1872767972 GRTCRRFGWMAZGS-KRWDZBQOSA-N 436.493 4.673 30 10 IJEE CC[C@H](C)[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872768162 LIHDUVSWCMWQEA-DLVCFXQMSA-N 443.528 4.697 30 10 IJEE COc1cc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)cc(Cl)c1O 1874268345 RXGHWZLEICFXLI-ZMOGYAJESA-N 438.940 4.994 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2/N=C/c2ccc(O)c(OC)c2)CC1 1874286807 YXAIZRPODVJZID-LFVJCYFKSA-N 446.617 4.813 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccccc1F 1874475117 KEWLWIVAPPJMOW-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874482802 OPRNDEYOFKRZRI-CIAFOILYSA-N 440.485 4.567 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c1 1874596830 FRXJKTXRUXUECE-SOFGYWHQSA-N 443.499 4.988 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(O)cc1 1874664461 LAFZZCISMLBXLF-RUZDIDTESA-N 449.595 4.968 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(Br)c(OC(=O)C(C)C)c(OC)c1 1875119062 BVBOZOOVXUPESO-MDZDMXLPSA-N 433.298 4.924 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)CCOC 1875170997 AEAOIOVPTAENGZ-MDZDMXLPSA-N 438.520 4.887 30 10 IJEE O=C(Nc1cc(F)cc(C(F)(F)F)c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889403386 DXRGGSDKVLVAAA-CYBMUJFWSA-N 436.331 4.659 30 10 IJEE C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc4ncc(-c5ccncc5)cc4cc3C2)c1 1890760578 QFDVDCZHLHOQDE-XDHUDOTRSA-N 433.515 4.606 30 10 IJEE CC#CCN(C[C@@H](O)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1900649836 VPMREHYGOWUAMY-CQSZACIVSA-N 447.167 4.505 30 10 IJEE N#CCCn1cc(C(=O)CSc2n[nH]c(C=Cc3ccc(F)cc3)n2)c2ccccc21 2040499349 HYMAQJZVTLGUNA-UHFFFAOYSA-N 431.496 4.958 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(Cc2ccccc2)C2(CC2)C1 2042184281 ANKAFJLBSLQRCY-XCZPVHLTSA-N 434.624 4.687 30 10 IJEE O=C(O)c1cnc2c(-c3cc(F)ccc3C(F)(F)F)c(C(F)(F)F)nn2c1Cl 2081152200 JEJFMSWVAIQTTF-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(Cl)cc1C 2082748309 HZBWWDDFOFGTLY-AWEZNQCLSA-N 429.742 4.656 30 10 IJEE Cc1c(Nc2ccc(Br)c(I)c2)ccc(N)c1C#N 2142498484 HYMJRMYRUSRHIJ-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181102134 BIOKLBRLJILQSO-IOASZLSFSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2ccccc2Br)CC12CCCC2 2235722662 KFRGOZQIXCLBAO-HKUYNNGSSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@H](O)C#Cc1ccccc1Br 2235742941 ZXCVQJLZMCDJOL-RTBURBONSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(OCCNc2ccc(C#N)c(Br)c2)ccn1 2240649028 ISKLOEJDZSQMFS-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2243380041 SPUAVEKWGHNUDO-UHFFFAOYSA-N 431.794 4.919 30 10 IJEE CCN[C@H](C#Cc1ccccc1F)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255274505 ZKBMWAHEPCHUOE-DHIUTWEWSA-N 440.559 4.656 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2262206197 NSDHUNXTGXNFBK-OTPAQWSUSA-N 447.572 4.703 30 10 IJEE N[C@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Br)o1 2264111695 GCDDAEQNXMRMBL-LLVKDONJSA-N 433.925 4.619 30 10 IJEE CC1(C)OB(C2CC(NC(=O)c3cc(F)c(Br)cc3Cl)C2)OC1(C)C 2267804584 XNVQYLQYCPCVEL-UHFFFAOYSA-N 432.526 4.596 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1cc(Br)cc(OC(F)(F)F)c1 2273096572 ZDDDIDKCIZZVKP-CYBMUJFWSA-N 438.240 5.000 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cccc(Br)c2C#N)[C@H](C(F)(F)F)C1 2281039196 AFHJMWZMVFXMEF-NHYWBVRUSA-N 448.283 4.745 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3cccc(Cl)c3Br)CC2)OC1(C)C 2283203060 YDRHSCFTOHJBBJ-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1cc(OC)ccc1Br 2291129234 USNFTYXLXMSEFF-OAQYLSRUSA-N 435.314 4.763 30 10 IJEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1OC 2295203923 XWWXQRYCCRTBSI-UHFFFAOYSA-N 427.551 4.698 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@H](O)C#Cc1cccc(Br)c1 2296215614 BUWTZCUHPUOOBN-HXUWFJFHSA-N 430.342 4.601 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](F)[C@H](C)CNC(=O)OC(C)(C)C 2296278911 JIZCJUHJJXAESZ-LZQZEXGQSA-N 441.385 4.668 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296279578 QLJOOHHZYGCDOA-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296300072 CNCHOTUMOQDXDM-UXHICEINSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 2296310465 KCOILHMCHXHIDT-RTBURBONSA-N 449.414 4.586 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@@H](C)C3)C1=O)cn2C 2296607577 VKYHRZAQGUHHKK-CALCHBBNSA-N 446.547 4.987 30 10 IJEE C=CCOc1c(Br)cc(C=C2N=C(c3ccccc3F)OC2=O)cc1OC 2297327873 JTRXLBGVOZWXNO-UHFFFAOYSA-N 432.245 4.506 30 10 IJEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2C)n[nH]1 2313602133 PKLLSFHSFDIKHO-UHFFFAOYSA-N 440.960 4.999 30 10 IJEE CCN(C[C@H](C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317355873 XZFVXEWQEKQLOX-KRWDZBQOSA-N 432.370 4.751 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(O)c1 2321392282 NAOITDPAVJWCGK-UHFFFAOYSA-N 430.961 4.870 30 10 IJEE CCOc1c(C=Nn2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cccc1OC 2322234553 VYSFNHPSBPWYSC-UHFFFAOYSA-N 446.960 4.706 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)OCC(C)C)c1 2322662895 RFKIBDBISPWSEK-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE O=c1c(Br)c(NN=Cc2ccc(Cl)cc2)cnn1-c1ccccc1Cl 2322667293 CHVHTZWNIQTJSK-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE COc1ccc(C=C2Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1OC 2324077499 SMPQNRNYJLAGKX-UHFFFAOYSA-N 445.515 4.966 30 10 IJEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1OC(=Cc1ccc(F)cc1)C2=O 2325204831 NYMYLQFBQCURQY-UHFFFAOYSA-N 428.419 4.978 30 10 IJEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)o1 2325628119 SQWTVXFYVZUMLW-CQSZACIVSA-N 434.404 4.518 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc(OC)c1OC 2325631640 RRZORHBZPRTCRJ-UHFFFAOYSA-N 448.548 4.940 30 10 IJEE COc1ccc(C=NNc2ncnc3[nH]cnc23)cc1OCc1ccc(Cl)cc1Cl 2328794416 XGZPLJPZYFJJKD-UHFFFAOYSA-N 443.294 4.693 30 10 IJEE C=CCSc1nnc(C(C)(C)C)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331399989 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VINURDXBQWMLOC-VWLOTQADSA-N 433.508 4.646 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@]2(CCCOC2)C1 508471651 GRCABZIPJLVYKF-RUZDIDTESA-N 434.540 4.700 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2ccsc2)C1 508992465 AGBZJSXJKSIQPA-BEFAXECRSA-N 430.961 4.897 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccccc2)C1=O 526658379 IKOKLNIFIGYYSE-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE CCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526807735 FPJUBJGAWRHQBO-FMCGGJTJSA-N 430.961 4.994 30 10 IJEE CCOc1c(OC)cc(/C=N\n2cnnc2SCc2cccc(Cl)c2)cc1OC 526812296 NESNVNLNTIKCHP-KSEXSDGBSA-N 432.933 4.522 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H]2CCCO2)CC1 549879665 ICOWSAWJGYLWHN-HXUWFJFHSA-N 435.597 4.958 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@H](c4cccc(F)c4)C3)n2Cc2ccccc2)c1 565316602 DMLZVCNRWUEVNX-DEOSSOPVSA-N 439.494 4.582 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)CCn2cnc3sc(C)c(C)c3c2=O)c1 728181750 AOCVIRSHZUPVNK-UHFFFAOYSA-N 447.585 4.741 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(C2CCCCC2)[nH]n1 758772035 QJYREZPSFULZRY-OAHLLOKOSA-N 426.542 4.505 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H](O)c1ccc(F)cc1Cl 774629819 DAYYJYAQWNFEOC-IBGZPJMESA-N 433.936 4.970 30 10 IJEE COc1ccc(-c2ccncc2)cc1[C@@H]1NC(=S)NC(c2ccc(Cl)cc2)=C1C(C)=O 775238264 GTWVDTZOPRBRDE-QHCPKHFHSA-N 449.963 4.930 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1sccc1Cl 783810420 QZRPINKNPQHGCC-AWEZNQCLSA-N 427.776 4.683 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC(C)(C)c2ccccc21 812185430 XWLPJUBPCVEDBA-UHFFFAOYSA-N 431.540 4.710 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccccc2)n1)N(C1CCCCC1)C1CCCCC1 1084426463 OYKOSDLZILONIN-UHFFFAOYSA-N 440.617 4.837 30 10 IJEE C=CCN(C(=O)[C@H](OC)c1cccc(OC)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124353157 UDADLTWAPRPWNH-HXUWFJFHSA-N 439.493 4.634 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)cc1 1125155293 DTNQOEJNVKDEDN-UHFFFAOYSA-N 447.516 4.554 30 10 IJEE CCc1c(C(=O)Nc2cc(C#N)ccc2OC(C)C)nnn1-c1ccc(OC(C)C)cc1 1125398060 DSVYTANFPQGFLP-UHFFFAOYSA-N 433.512 4.528 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1127328120 FJTBXGXAZYQYRZ-FPOVZHCZSA-N 430.470 4.878 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)c1 1129226108 HKROQALYAPFJMG-JKSUJKDBSA-N 430.595 4.558 30 10 IJEE C=CCOc1cccc(NC(=O)C2CC3(C2)C[C@@H](NC(=O)OC(C)(C)C)CCS3)c1 1136389401 YFGIPLZXYOWKNZ-HRZDDSQGSA-N 432.586 4.759 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1144127622 JDTAICYHSDTJND-INIZCTEOSA-N 429.442 4.817 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@](C)(CC)C2)c1 1150735213 WVNHSGRHRBDHAH-QHCPKHFHSA-N 447.000 4.984 30 10 IJEE C=CCCC[C@@H](NC(=O)C1(c2ccc(Br)c(C)c2)CCCCC1)C(=O)OC 1155475814 TXWYGIQDOQTEEH-LJQANCHMSA-N 436.390 4.974 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1OC 1181717395 GLJQUYPBYWGEEP-QHCPKHFHSA-N 436.980 4.746 30 10 IJEE 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CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1541515554 ARBQYGJSZKDJPJ-JTHBVZDNSA-N 434.632 4.954 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@](F)(C#N)C1)OC 1545282455 IABSMJWTKIKHNU-PRCFCKQXSA-N 445.608 4.779 30 10 IJEE C=CCC(F)(F)C(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 1546027200 PZLMDJKQXJSUNY-GOSISDBHSA-N 438.474 4.989 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1554164915 BSIVQDGGNIELPD-UXHICEINSA-N 429.515 4.506 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(C)C)Cc2cc(OC)ccc21 1557108113 QVRYSFCETJMWOR-HKUYNNGSSA-N 436.980 4.892 30 10 IJEE C#CC[C@@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])c1ccccc1 1559143903 QEFLOYOBLGJUKE-CNBHCMJISA-N 441.553 4.628 30 10 IJEE CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1565846606 BMMBKBSJIMHKLA-LJQANCHMSA-N 427.570 4.842 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)nc1 1584151038 AFOIPZQQVQXNIV-UHFFFAOYSA-N 438.531 4.607 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1c(-c2cccc(Br)c2)noc1C)C(C)C 1585129419 UVGIMHZRCXIJRI-LJQANCHMSA-N 446.389 4.841 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1587229866 KTDHXGOOUSEOPR-CVDCTZTESA-N 426.582 4.685 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCOC1CCCCCC1 1587562309 NWXPNIFVILCNSJ-MOPGFXCFSA-N 428.552 4.755 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 1587798206 FHRDEHXHNMMKDR-SFTDATJTSA-N 441.620 4.946 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1588105099 LDWUFTGYIHTKIM-LJQANCHMSA-N 430.405 4.541 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(OC)CC1 1588985537 UQWVIXVKPLYTMI-QPPBQGQZSA-N 426.630 4.582 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1589097741 WIWRAMPISYAOBH-IBGZPJMESA-N 429.659 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1CC[C@@H](OC)C(F)(F)F 1589164689 YRBQNVCRWRBGFN-DENIHFKCSA-N 446.517 4.708 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1594202696 SNBRQKPEZXKHIX-LAUBAEHRSA-N 448.409 4.786 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCC[C@@H]2CC)CC1 1594241634 WVTSUKMUPHIIBW-FQEVSTJZSA-N 443.586 4.814 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1594614801 AMDNLPSBPVLOLT-KNQAVFIVSA-N 426.561 4.542 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCC1)C1CC1 1595054599 NEJYSZOZVFBKNA-LJQANCHMSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@@H](C)CC 1595093119 AIZIZXHVAKVKTF-SIBVEZHUSA-N 444.583 4.510 30 10 IJEE CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1CCCN(C)CC(F)(F)F)C(C)C 1607335937 BSXBEVUCDQNROX-UHFFFAOYSA-N 436.526 4.572 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1 1616818093 PDTMJUWMRRYQNL-LJAQVGFWSA-N 439.558 4.514 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(Br)c(F)ccc3[nH]2)cc1 1624944548 HUUJBXRYBUVCLJ-UHFFFAOYSA-N 431.265 4.629 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2c(F)cccc2Oc2cc(C)cc(C)c2)c1 1626138436 IJCHGXXRCZCPJT-UHFFFAOYSA-N 431.467 4.976 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1633697203 KBXPRGUZZGGKBS-JXFKEZNVSA-N 432.351 4.585 30 10 IJEE C=CCCC[C@H](NC(=O)N(Cc1cncs1)C1CCN(C(C)=O)CC1)c1ccccc1 1638029848 QPKMNGIHXJVIEM-QHCPKHFHSA-N 440.613 4.763 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(c3cc(Br)c(C#N)cc3F)C2)C1 1639988549 LHOCJMOMHOHLHL-HXUWFJFHSA-N 438.341 4.687 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3N(C)CC[C@H]2C)n(-c2ccccc2)c1C 1644794052 BLHAMKXETCMHBE-GOSISDBHSA-N 427.552 4.639 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)c2nc3ccccc3n2C)cc1OC 1650316969 XXOPTUCPFYZLBL-CQSZACIVSA-N 430.346 4.760 30 10 IJEE C[C@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)CN1Cc1ccccc1 1653791898 ABPCNTAWPKBGPQ-PWRODBHTSA-N 436.625 4.614 30 10 IJEE C#CCC1(NCc2ccc(OCc3ccc(Br)cc3)c(OC)c2)CCOCC1 1656997396 UHTLOHZQFGLFCN-UHFFFAOYSA-N 444.369 4.699 30 10 IJEE CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNS(=O)(=O)N(C)CCC#N)CCC[C@@]21C 1660114513 GJODQLWJWKXVLI-SGNDLWITSA-N 431.646 4.500 30 10 IJEE CC(C)(C)c1cc(NC(=O)N[C@H]2CCN(c3ccccc3F)C2)n(-c2ccc(C#N)cc2)n1 1661695328 HBMORGBWBKYUQT-SFHVURJKSA-N 446.530 4.581 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCOc2ccccc2C(C)(C)C)cc1 1667785968 JPXICBATCZSFKN-UHFFFAOYSA-N 435.568 4.999 30 10 IJEE COc1ccccc1N1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1669147566 DVVCGVHFCCBPST-FQEVSTJZSA-N 428.492 4.760 30 10 IJEE Cc1ccc(F)c(Br)c1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1671657145 AUPNGPWGIQGXFP-UHFFFAOYSA-N 447.308 4.675 30 10 IJEE Cc1cccc(COc2ccc([C@@H](C)NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc2)c1 1678179885 CZACYHKBOOJLIJ-HXUWFJFHSA-N 441.531 4.980 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1679812469 VDQMIIINPWJDIC-CTUHWIOQSA-N 440.609 4.922 30 10 IJEE C#C[C@H](NC(=O)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1682366380 FEGJQIKURJRVEG-APWZRJJASA-N 437.943 4.632 30 10 IJEE C#CCC1(NC(=O)NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CCC1 1682394961 CQXKYIBBBUCRAT-OAQYLSRUSA-N 445.563 4.952 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 1683979997 TUOGFVSIBRUZAT-KCZVDYSFSA-N 437.588 4.568 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 1686181299 FWWPYUGXIUBQDQ-XEVCZEQESA-N 440.494 4.511 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)C(F)(F)F 1690001960 WBOFBVZZQRXQET-SFHVURJKSA-N 432.490 4.696 30 10 IJEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2(CCC)CC2)CC1 1690132023 DLRFOLZZNXETIP-UHFFFAOYSA-N 449.643 4.624 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1690335663 FCYLUPKIFXBJEO-UHFFFAOYSA-N 442.350 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cscc2C)CC1 1690367652 WSNYGVLJBGUYQR-UHFFFAOYSA-N 440.569 4.546 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690478404 WEBCTFPABCWFBF-MRXNPFEDSA-N 431.968 4.668 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1690511152 RAHVTKZBMCABCI-RBUKOAKNSA-N 432.659 4.802 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1CC2(CCOCC2)C1 1690518555 NVLCWAQSQFMSGW-UHFFFAOYSA-N 437.407 4.598 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1ccc(Cl)nc1 1690568998 AVHOOIULXWGYQD-UHFFFAOYSA-N 436.922 4.712 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2CCN(CC)CC2)C1 1690689845 MMHUBLDOWPJPBE-QFIPXVFZSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(C#N)o2)C1 1690690238 UMSQGCSYNDVTMJ-INIZCTEOSA-N 444.322 4.546 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1690750225 DCBDQXLXKLWUJD-PMACEKPBSA-N 442.629 4.944 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1705527583 CPWOMGWDUYFSOX-RTWAWAEBSA-N 442.991 4.804 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCC1CCOCC1 1705670394 SADLLSWOSIPYOZ-HXUWFJFHSA-N 449.418 4.578 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1705683294 CSFJUMBGYBBZCL-IRXDYDNUSA-N 437.357 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@H](C)Oc1cccc(Cl)c1 1705708181 YUIXCPQHNFDFQV-YRNRMSPPSA-N 442.951 4.530 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CCCC2)C1 1705799941 KPDSQTZIIBJLIT-UHFFFAOYSA-N 442.007 4.988 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)CCc1ccc(Br)cc1 1705820377 KMQZWUSQOILHGF-UHFFFAOYSA-N 440.389 4.672 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC[C@H](c3ccnn3C)C2)cc1 1705909794 IEMGJXJFOVDPMP-FPOVZHCZSA-N 434.588 4.522 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cccs2)CC1 1705940902 SLMIEUVJRMOCEE-UHFFFAOYSA-N 446.045 4.906 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](OC)C(C)(C)C1 1705942128 IIAYVOPPQCIHAL-OXJNMPFZSA-N 446.686 4.912 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1oc(CC)nc1C 1722286723 JVLGOVWUZDILIP-GOSISDBHSA-N 435.572 4.735 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2CCCCC2)c1 1722306579 COTZUQHOWIYCFB-UHFFFAOYSA-N 433.600 4.647 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccccc1OC 1722341465 YOZCWZIEQMWZFI-FUPPJEDESA-N 436.600 4.960 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](OC)c1ccccc1 1722379847 NYSBHMLCEJISMZ-JOCHJYFZSA-N 444.604 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1722401513 AQHQXVSICCVEOF-VXKWHMMOSA-N 436.625 4.547 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2CC)CC1 1722560851 KMWRBQDCMAFNAE-UHFFFAOYSA-N 426.362 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1722584215 BUDRGGYELAPOII-PXNSSMCTSA-N 430.618 4.576 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1722604115 ULNSUMZFSTVMLK-UPVQGACJSA-N 437.632 4.977 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722611701 AIWZTODTTOVDSW-HNNXBMFYSA-N 427.902 4.638 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722618243 ZBDDDUYQGSOURL-UHFFFAOYSA-N 448.615 4.574 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1722625060 KDHZWRNXDGHPIO-UHFFFAOYSA-N 427.961 4.761 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1722625206 QFYIWFGGPASQNB-KRWDZBQOSA-N 439.510 4.643 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCO[C@H]1CCCC[C@H]1C 1722672465 QZIASLNOLKPGNC-QTEQDKRBSA-N 438.572 4.564 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(O)c1 1722678631 CTXVZGPTLIVPGG-UHFFFAOYSA-N 438.597 4.668 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@@H]1OC 1722678644 ULULVSDOAMCAPG-BEFAXECRSA-N 439.387 4.706 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccoc1 1722733464 BQFILGPMFNKPLV-UHFFFAOYSA-N 439.404 4.918 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCCOCC1 1722733950 SGTFRJPYJSRUIB-UHFFFAOYSA-N 444.601 4.959 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(C)C)CC1 1722735055 JHCKQOOUIGEVAB-UHFFFAOYSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1722737921 VVJKBCXVAPWFEW-FQEVSTJZSA-N 439.585 4.649 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1722741120 AJWUDIZVUHWCET-OAQYLSRUSA-N 446.064 4.506 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1726419353 BUYHSGCEGZPSEG-IQGLISFBSA-N 432.572 4.602 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CC(C)(C)C1 1731108430 BDOHKHGVCJBHEB-KRWDZBQOSA-N 427.618 4.743 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(Cc2ccccc2)CC1 1740603062 FLUHATBNKFHWDE-UHFFFAOYSA-N 441.398 4.861 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)=C(C)C1 1740712712 RETACSJRMBSWMU-UHFFFAOYSA-N 445.430 4.929 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cccc(Br)c1 1740761397 NKBGUOSPCPRDSO-UYAOXDASSA-N 445.405 4.926 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCCC1(C)C 1740766803 LTHLZUBEAPYWAC-KOSHJBKYSA-N 430.568 4.901 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)c3cccs3)CC2)nnc1C(C)(C)C 1740767787 RCNXOVLVUANOHA-WIYYLYMNSA-N 442.629 4.718 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(O)CCC1 1740777325 VDWITFDCEDMRLL-UHFFFAOYSA-N 439.387 4.871 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC(=C)C 1740790838 YCVAAJOUCKCBBB-UHFFFAOYSA-N 437.357 4.842 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1ccsc1)N(C)C)C1CC1 1740911885 IWWFSGBEXYINOK-NRFANRHFSA-N 443.567 4.666 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC(=C)Br 1740914969 PIXFHAUZJGXFHJ-UHFFFAOYSA-N 449.356 4.621 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1cc(F)ccc1OC 1740924319 NBLCKSNKMJERKY-HXUWFJFHSA-N 428.533 4.580 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cc(C)on1 1740997434 SLNIZJBUKTWUFQ-UHFFFAOYSA-N 434.569 4.654 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740998374 NVXIGJKHRJCLKP-QGZVFWFLSA-N 441.576 4.620 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@H]1CCCC[C@@H]1C 1748649211 LGCDAOPPDNYGQG-ZWOKBUDYSA-N 432.515 4.600 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cl)=C(Cl)C1 1748729887 DVZFDVFLBDTDRA-CRAIPNDOSA-N 425.404 4.900 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1749022961 OGMAFGFVVRBHRW-AWEZNQCLSA-N 428.499 4.952 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1C 1749029208 NVIZGEQCWWFWBF-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)N(C)C 1749058738 PHSARMQUYTUUTJ-MZNJEOGPSA-N 437.588 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CC)C[C@@H]1CCCO1 1749120539 FSMPJHHAYDARSG-GIVPXCGWSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1749142176 RSHVJDSJNRUGLG-SLFFLAALSA-N 442.007 4.700 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749181723 CCSVIHQKSYWKKX-UHFFFAOYSA-N 448.615 4.746 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2ccoc2CC(C)(C)C1 1749409267 SVXIDEPLDROCFU-FPOVZHCZSA-N 428.577 4.540 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCc2ccccc21 1749544767 NGXJURYXHBSSOR-FQEVSTJZSA-N 449.624 4.791 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CC=C(C(F)(F)F)CC2)cc1 1749684160 RTTYUVCQGZDVGG-UHFFFAOYSA-N 443.473 4.596 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCSCC(F)(F)F 1760293373 TVEXUYSPNSWPJR-OAQYLSRUSA-N 445.514 4.781 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760309931 MLTZOPXVFGTTOZ-CZUORRHYSA-N 443.311 4.721 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(C)cs1 1760326809 ZYDOFGLFYWFCIZ-WIYYLYMNSA-N 428.627 4.918 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ncc(CC)s2)CC1 1760385747 WUGATVQWCFMDOO-UHFFFAOYSA-N 444.402 4.931 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](OC)[C@H](C)CC)CC1 1760385799 YWDZXOWFISFDGI-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCCCC2)CC1 1760392510 SOCZHKLTDMWTBL-UHFFFAOYSA-N 437.632 4.797 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760398612 FEGGZHHEADWLJO-OPAMFIHVSA-N 447.421 4.907 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1760419892 FCHFOPMWRCWZOH-QZTJIDSGSA-N 441.542 4.990 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)C1CCCCC1 1760456870 ZAFGJIIYXBYAAP-NBGIEHNGSA-N 426.605 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCc1ccc(OC)cc1 1760485866 TVLJVABHNVLZRB-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC[C@@](C)(O)c1ccccc1 1760486485 POXJWVCBESNKNY-RUZDIDTESA-N 445.592 4.892 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC[C@H]1CCCCO1 1760491668 OVXPTBJOCMXUSL-OAHLLOKOSA-N 437.407 4.907 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO1 1760498230 JVODRVQCJAKENR-YTFSRNRJSA-N 438.616 4.611 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[C@@H]2CCO[C@H](C)C2)c2ccccc2n1 1761674436 DXQFOYJHESGDFK-VAMGGRTRSA-N 432.572 4.745 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC#N)CC1)C(C)C 1765781422 HBGHDWRGUZKTIC-QFIPXVFZSA-N 425.577 4.535 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1772554892 YGLKDCVVHAZVEB-APWZRJJASA-N 445.405 4.783 30 10 IJEE CC(C)(C)c1ccc(C=NN=C2NC(=O)[C@H](Cc3ccc(Br)cc3)S2)cc1 1772742077 XLMXPPYDKXBYGG-SFHVURJKSA-N 444.398 4.911 30 10 IJEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=NN=Cc2ccccc2)N1Cc1ccco1 1772758375 TXQREQVJSCJSGU-NQFKXEMJSA-N 432.461 4.694 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccc(OC)cc4)nc3c2)nc1C 1859736950 DYKTVUSFOYMZCP-UHFFFAOYSA-N 449.488 4.863 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 1861203143 URNRIHJQLMNCAM-PZJWPPBQSA-N 436.040 4.533 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)ccc1O 1862434878 JAYKTQHOOYIKDX-FQEVSTJZSA-N 429.900 4.679 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446225 NEWJAISNKLBTGA-KXBFYZLASA-N 432.303 4.751 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(OCC)c1 1862459863 PFPKYLOGHAXFBE-FQEVSTJZSA-N 433.426 4.881 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862533215 JPBVVNGBIPXYMY-OAQYLSRUSA-N 448.500 4.997 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1Cl 1862560238 FRMCGRYPRIUVAC-NRFANRHFSA-N 442.943 4.707 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CCCCC2)c1 1862638287 XXROXAYHSVWGQE-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862676835 SAQZJHRTLCKLHB-HXUWFJFHSA-N 426.444 4.893 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862690561 RIWWSRFFYQKNLM-LJQANCHMSA-N 433.426 4.948 30 10 IJEE COc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862799092 VZZYRNPKUOWYNU-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccccc1C#N 1867184367 WIKRBCQPVONVKE-OAQYLSRUSA-N 444.535 4.721 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)(C)C)cn1CCC1=CCCCC1 1870446532 BKHGUUBNPXZOEA-UHFFFAOYSA-N 442.600 4.633 30 10 IJEE CCCCCCCOc1cn(CCCN2CCOCC2)c(CNc2ccccc2)cc1=O 1870836331 JQNPAENTNHFZOU-UHFFFAOYSA-N 441.616 4.532 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2cc(Cl)ccc2C)cc1=O 1870838775 SZZTYUKVJZFYPZ-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccc(F)cc1)C2=O 1871374407 JBGBNNPZJYZYPK-MTJSOVHGSA-N 433.391 4.807 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc(C)c2C1=O 1871376272 CAEWSOKXVCSOQA-UUYOSTAYSA-N 429.428 4.976 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)CCc4cccs4)c3C)C2=O)cc1 1871392459 XWWWTGGQTQWQIQ-STZFKDTASA-N 448.496 4.998 30 10 IJEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871414160 AQZDJOVOFDJXAZ-UCQKPKSFSA-N 447.443 4.986 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871868001 ASHJHERQSAAHFP-LJQANCHMSA-N 441.380 4.833 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872242807 ZJCPIGVWYXDOLM-CQSZACIVSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872550168 NYLBQAUBWTXBOV-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(C(C)C)C3)n2)cc1C(C)C 1872779245 FJVAYRNUNVXXAZ-QFBILLFUSA-N 439.581 4.684 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2c(OC)cccc2OC)n1 1872788850 RUPKHRLBGJCJFR-AWEZNQCLSA-N 428.897 4.979 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccccc1C 1874202218 QNJWBUNIBREUDL-KOEQRZSOSA-N 436.581 4.939 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2/N=C/c2ccc(OCC)c(OCC)c2)cc1 1874302369 VFSNVWYAULMPLR-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc(OC)c1O 1874303558 FJHYBOLTVSCSPD-ZVHZXABRSA-N 438.553 4.532 30 10 IJEE OCCCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1Cl 1874381188 GRQPYILXYGONOS-FSJBWODESA-N 439.343 4.672 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(O)c(O)c1 1874410786 KXWJBXIXXOKBMH-YDZHTSKRSA-N 436.562 4.825 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCCCO)cc1 1874419683 ZHTGWQGOEYRPJK-NCELDCMTSA-N 438.597 4.795 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccnc2)c1C 1874420773 DEIAUFPHLRBKAD-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE COc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)cc1O 1874423095 UWROOUJBOYRPKC-HZHRSRAPSA-N 436.562 4.938 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(OCC)cc1 1874474937 ACEODPYZSLHLEM-LFVJCYFKSA-N 437.569 4.632 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(F)cc1F 1874478364 WTTHHTPQDWQUGQ-DHRITJCHSA-N 443.523 4.820 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(F)cc1F 1874509633 MYWPMYXHLIUYSH-BRJLIKDPSA-N 443.523 4.739 30 10 IJEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)o1 1874594609 SWJFRYRWIPQTQW-FMIVXFBMSA-N 436.460 4.949 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 1875124196 FTOHCZWPQVAUCY-SGQUHAKNSA-N 445.855 4.627 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccc(F)cc1 1875147660 FHYLBANKBVHSGH-RUDMXATFSA-N 448.446 4.650 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C[C@@H](C)n3nc(C)c(Cl)c3C)cc21 1890487222 BHUTUJQJAYMXEB-CQSZACIVSA-N 444.963 4.681 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(F)c(F)c1Br 1963653955 BUYRQEAUQCKUNZ-ZDUSSCGKSA-N 446.292 4.643 30 10 IJEE C=C([C@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 1997456905 UMGBTOLDNBSHTN-SIKLNZKXSA-N 442.522 4.927 30 10 IJEE O=C(O)c1cnc2c(-c3cc(F)cc(C(F)(F)F)c3)c(C(F)(F)F)nn2c1Cl 2081151776 DOJFSWKONIXSRL-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)c(N(Cc3ccccc3)[C@H]3CCOC3)c2)OC1(C)C 2116144435 FOTNUOSDACPNDX-IBGZPJMESA-N 447.306 4.800 30 10 IJEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)c1 2124539961 BCVWPSUKZNSIQL-UHFFFAOYSA-N 444.381 4.760 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c1 2132679089 WEYBAKGOGFGWFC-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE O=C(NC[C@H](NCc1ccc(F)cc1C(F)(F)F)C(F)(F)F)OCc1ccccc1 2146528645 ORPODXUCDZVEHU-INIZCTEOSA-N 438.343 4.791 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 2159124062 FTCPBZXHQNJXTI-DLBZAZTESA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc(C#N)cc1Br)C1CCCC1 2181106379 VOVWALMOYCYZSB-OAHLLOKOSA-N 436.350 4.590 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235732803 SPDVJJPKZQFKNM-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(N)C#Cc1ccccc1Br 2235734530 WPUCPXSDSCAWMK-NRJQMVOHSA-N 433.390 4.554 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2235745484 CTUKYOBAJBJEFT-IEBWSBKVSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2251406942 KBXCGZDWMKJEKX-JYFHCDHNSA-N 426.601 4.612 30 10 IJEE C=C(COCCC)[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256707973 YJOBRWUEOTULQI-QHCPKHFHSA-N 446.632 4.791 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1Nc1c(Br)cccc1C#N 2285238600 UUCUPVOGQMAVOQ-HKUYNNGSSA-N 428.330 4.923 30 10 IJEE C=C(Cl)C[C@@H](OCCN)c1cc(Br)cc(Br)c1OCC 2294081403 UJWWCVXMAPEFKP-CYBMUJFWSA-N 427.564 4.769 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 2296289694 URSYKHRUPSPZEH-VQTJNVASSA-N 429.358 4.655 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2296308280 FXWIVZZMTBPPLR-MISYRCLQSA-N 435.406 4.862 30 10 IJEE N#Cc1cc(N2CCCC[C@@H]2c2nc(-c3ccncc3)cc(=Nc3ccccc3)[nH]2)ccn1 2296584838 RXFQKIYQKDXRLV-XMMPIXPASA-N 433.519 4.702 30 10 IJEE O=C1C(=CNCc2ccccc2Cl)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 2297375478 QRELPWMUPPUUSI-UHFFFAOYSA-N 438.936 4.504 30 10 IJEE C=CCc1ccc(OCCOc2cccc(C=C3SC(=S)N(C)C3=O)c2)c(OC)c1 2297499253 KNZJNEOYBIWPCV-UHFFFAOYSA-N 441.574 4.713 30 10 IJEE CCCN1C(=O)C(=Cc2ccccc2OCC(=O)O)SC1=Nc1ccc(OCC)cc1 2297558811 ASUXVJNCCUDUFT-UHFFFAOYSA-N 440.521 4.563 30 10 IJEE CC(C)Cc1nnc(S)n1N=Cc1ccccc1OCc1ccc(Br)cc1 2321908102 UDLSMFHMHBAQMU-UHFFFAOYSA-N 445.386 4.989 30 10 IJEE COc1cc(C=Nn2c(S)nnc2C2CCCC2)cc(OC)c1OCc1ccccc1 2321928044 QCCNQGXITYPGCV-UHFFFAOYSA-N 438.553 4.703 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(CCc1nc3ccccc3[nH]1)CO2 2322415048 PIVFXZGARLJGIA-UHFFFAOYSA-N 437.499 4.882 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(C)C 2323363992 XGOQEIGWDJTJNY-UHFFFAOYSA-N 445.368 4.739 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)C(=O)Nc1ccc(F)cc1 2324312702 OIZYMXUZJZIFHP-AWEZNQCLSA-N 447.418 4.577 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c1 2325480267 XILMMPVGXOBIPN-UHFFFAOYSA-N 429.505 4.952 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O)NCc1ccco1 2325559053 XLMIFAGVWFCRPA-UHFFFAOYSA-N 444.270 4.898 30 10 IJEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc2c(c1)OCO2 2325747620 SERAHGXEAHXLIO-UHFFFAOYSA-N 426.346 4.948 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc2ccccc12 2330119380 OAXSUAJZNGTGSR-KRWDZBQOSA-N 430.533 4.730 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc(C)c1 2330684623 NAHRLPGQMGYGJN-UHFFFAOYSA-N 435.597 4.876 30 10 IJEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(O)c1 2331294193 AHZWJJWTSBABIO-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE COCC(=O)Oc1c(Br)cc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OC 2331773852 SCYJBXGCWNHHJM-UHFFFAOYSA-N 447.325 4.831 30 10 IJEE Cc1cccc2c1N(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CC1)CCN2C(=O)OC(C)(C)C 2352859332 TXNUZRNGTBNCCN-UHFFFAOYSA-N 442.365 4.710 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@H](N)C#Cc3ccccc3Br)CCC[C@H]21 2358759746 OWLPIZOVIAPIAP-PIKOESSRSA-N 433.390 4.554 30 10 IJEE O=C(O)CO[C@@H](C#Cc1cccs1)c1scc(Br)c1Br 2363671865 WNWAZDGRIHSEFC-JTQLQIEISA-N 436.146 4.529 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 2370043852 AGLKZLOFYLHOFD-CQSZACIVSA-N 449.267 4.713 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 20705998 XFHFTPYGLDHCSR-ZOCZFRKYSA-N 445.928 4.539 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2nc(SCc3nc4ccc(C)cc4[nH]3)n[nH]2)cc1 21076278 MBVQZSUPLGYWOG-YDZHTSKRSA-N 434.573 4.574 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(C)c2)Nc2cccc(C)c2C)c1C 32973383 OWCDUIUTDXTJKV-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C/c2cc(Cl)cc4c2OCOC4)C3=O)C1 37857964 CQEZUTLYWOFDHN-SCDDIDHTSA-N 441.911 4.760 30 10 IJEE Cc1ccc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)cc1C 38623063 VBENYKZFIQWDNE-OALUTQOASA-N 430.504 4.610 30 10 IJEE CN1/C(=C/C(=O)COC(=O)/C=C\c2cccc(Br)c2)C(C)(C)c2ccccc21 96465781 MKNUCCJUHVOHCI-JXQAYSGNSA-N 440.337 4.886 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1ccc(OC)cc1 100197767 URCWLYBZBDRWMN-GOTYSUTNSA-N 431.945 4.637 30 10 IJEE Cc1ccc([C@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102734205 RMFMILGTAWRSEC-VFJWVMJUSA-N 432.476 4.705 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2cccc(F)c2)/C1=C(/O)c1ccco1 102904037 HLDJICZWSGGTPA-VZCCSQPZSA-N 438.411 4.794 30 10 IJEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 103111748 KCMHMXOQWYDPPL-VFJWVMJUSA-N 446.890 4.926 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 108119085 UOUANPRDIDIDAM-VFJWVMJUSA-N 445.446 4.629 30 10 IJEE CCN(Cc1cccc2c1OCCO2)C(=O)c1cccc(OCc2ccccc2C#N)c1 110855603 UKZWUXLZTOEKJR-UHFFFAOYSA-N 428.488 4.571 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1OC 169940188 BZAAHTCILNXVNZ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccccc1O 169942738 FUARCUBFVLWNEB-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE CCCOc1ccc(/C=N\Nc2nc(C)c(C(=O)OCC)s2)cc1Br 169943333 UQZYPJRMSBPICS-GRSHGNNSSA-N 426.336 4.626 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1 170094572 HISJBLKNRFGHEV-JOCHJYFZSA-N 430.460 4.638 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccccc1OC 170125156 GNHNIQNEWLUTKQ-LJQANCHMSA-N 444.325 4.754 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccc(OCCC)cc2)C1=O 170142885 SIPNHXHZBBDRIS-UHFFFAOYSA-N 433.552 4.700 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)c1 170200661 DNDMRYGJIROLGZ-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccc(Cl)cc1 170235630 PLYYOFVXIBOUCA-HXUWFJFHSA-N 443.927 4.580 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(O)c1 170258556 UAEKAEZSKCQORP-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(OC)c2)cc1 170410952 DVDKWTNZHYJKIV-QFIPXVFZSA-N 449.528 4.586 30 10 IJEE CCC(=O)OCCCCSc1nnc(N/N=C(\c2ccccc2)c2cccs2)[nH]1 253564575 GRBDLQBPXDKOOQ-RELWKKBWSA-N 429.571 4.556 30 10 IJEE O=C(CSc1ccccc1N=Cc1cccnc1Cl)Nc1ccc2c(c1)OCCO2 254442096 VMOCWUBVUYMXNQ-UHFFFAOYSA-N 439.924 4.988 30 10 IJEE O=[N+]([O-])c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 254844604 BSMDFSCWLQEZGO-UHFFFAOYSA-N 428.408 4.802 30 10 IJEE Cn1cc(-c2noc(-c3cccc(COc4cccc(C#N)c4)c3)n2)c(C(F)(F)F)n1 426242992 BNROUHLPAKNZFL-UHFFFAOYSA-N 425.370 4.607 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 436326865 QQQHGKWVVQNTCB-PZJWPPBQSA-N 441.560 4.767 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(Cc1ccc(Cl)c(Cl)c1)C(C)C 460789884 CFTREFSNVNZLJT-SFHVURJKSA-N 425.360 4.664 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 490043475 KTDUGPQLTZLZEC-VWLOTQADSA-N 448.482 4.590 30 10 IJEE COc1cc(OC)c([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526518060 WNINHUXBILSREP-JOCHJYFZSA-N 448.500 4.703 30 10 IJEE COc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccc(C)cc3)C2=O)c1 526660125 NBETYRRCVSKMSO-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCCOc1c(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)cccc1OC 526821950 BPQAYQOACKSDJP-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 555182519 KAZHWQGWZCBZRW-UHFFFAOYSA-N 429.568 4.897 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(OCCCOC)CC1 555256230 GPOADJFZOIVUMB-UHFFFAOYSA-N 438.494 4.562 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N(C)C1CCN(c2cnccn2)CC1 580985697 ZVBUXUHSYPUXKK-UHFFFAOYSA-N 439.567 4.570 30 10 IJEE N#Cc1cccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586230677 CZTLLBMUUNJKAA-UHFFFAOYSA-N 427.869 4.515 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@]1(C#N)CCOc2ccc(Br)cc21 698822653 BRZLZSYGGFRQME-MRXNPFEDSA-N 435.240 4.750 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 735308560 JCRPHPUAFQGAJY-UHFFFAOYSA-N 438.742 4.507 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 735339064 AFHRLMIPIPQKDP-UHFFFAOYSA-N 432.263 4.622 30 10 IJEE C=CCn1c(-c2ccco2)nn(CN2CCc3cccc(Br)c3C2)c1=S 735665014 FFQRBAMFNBVOJZ-UHFFFAOYSA-N 431.359 4.638 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 764545959 CFNCTSSAJVNCFK-HOCLYGCPSA-N 427.998 4.745 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1cc(Cl)ccc1OCC#N 768406447 HDIJKIYKBOBJEK-UHFFFAOYSA-N 426.929 4.891 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1 1083993877 PITQQCTXMNOBKS-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2cccc(Br)c2)n[nH]1 1084627193 DMRVPTGIIPWKOI-UHFFFAOYSA-N 439.383 4.666 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccnc1-n1cc(Br)cn1 1124333661 IVJQUQMCKBLXSN-UHFFFAOYSA-N 437.750 4.573 30 10 IJEE C#CC[C@]1(C(=O)O[C@H](C)c2nc3ccc(Cl)cc3n2C)CCCN1C(=O)OC(C)(C)C 1126703740 BABLAQVQVBABLG-IQMFZBJNSA-N 445.947 4.624 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 1128470095 BJJQNNJMCYDWOS-SFHVURJKSA-N 435.293 4.790 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1129609555 XBQFXOGZYWHRAL-LJQANCHMSA-N 428.326 4.817 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3ccsc3)c3ccccc3)ccc2c1=O 1136539903 SQWVOUGVRAAADN-UHFFFAOYSA-N 433.558 4.780 30 10 IJEE C#CC[C@H](NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 1137622552 QGEBYKFPLCSBKA-IBGZPJMESA-N 429.467 4.864 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2cc(C)nn2-c2ccccc2F)Cc2ccccc2)c1 1168097146 QLQQVEBHIJXBFV-UHFFFAOYSA-N 438.506 4.946 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN[C@@H](COc2ccccc2F)C(C)(C)C)c1C 1168528760 GMCAVLPBWDANAU-QHCPKHFHSA-N 425.548 4.773 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](COCC(C)C)c2ccco2)n(-c2ccccc2)c1C 1169101401 BALZAAQRNUOHRQ-QFIPXVFZSA-N 434.540 4.501 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(O)Cc2cccc3ccccc23)nnc1-c1ccco1 1184341343 XSVFNYYHTXBTTB-UHFFFAOYSA-N 434.521 4.778 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OCC(F)(F)C(F)F)nc1 1201795164 RIGCQXIGNINXKY-UHFFFAOYSA-N 447.226 4.747 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)C1CCC1)c1ccc(Br)cc1 1252458284 JKGHTZHHMRZQMY-LEWJYISDSA-N 427.342 4.973 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1F 1252479583 PJOLQKLJSGKGAF-BMIZZYGASA-N 429.706 4.882 30 10 IJEE CCOC(=O)c1c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)sc(C)c1CC 1264126907 CFKBTFJTBIKJGJ-UHFFFAOYSA-N 431.583 4.718 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)CC1 1286323940 KEOFIBPBHDZQPS-NHCUHLMSSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CCc1cc(C(F)(F)F)ccn1 1286438732 CONCODUGXZUEPU-UHFFFAOYSA-N 427.474 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)s1 1286456539 RUBUTOLLJGEJLK-UHFFFAOYSA-N 425.920 4.815 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1cccs1)C1CC1 1286512528 LZHPETBEYJVWKN-WOJBJXKFSA-N 444.670 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(CCCCC)nc1C 1286517628 JTVGTWGXBSNNIE-AREMUKBSSA-N 441.583 4.552 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CC1CC(F)(F)C1 1286559462 WRILQXBUIUKCBB-IFMALSPDSA-N 430.543 4.640 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](OCC(C)C)C1 1286588582 VCCPJMQYQHAFHP-QGZVFWFLSA-N 449.393 4.544 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1)c1ccccc1 1286679083 JYNJWWJVIMUTDV-GOTSBHOMSA-N 431.584 4.889 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1286704522 WGIFVQFDFDIFST-UWJYYQICSA-N 442.560 4.990 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1CCC[C@H](C)C1 1286719958 OQWPICGUKHLMTI-KRWDZBQOSA-N 432.012 4.740 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@H]1OC)C1CC1 1286735079 MWHYMZWXWDFTIZ-YLJYHZDGSA-N 445.405 4.986 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1286737540 NXEAZJZQXGTCQR-SFHVURJKSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286740229 GDUKPJPVXOIKJR-OYRHEFFESA-N 439.648 4.798 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H]1CCO[C@H](C)C1 1286755422 XTPZHJRWQHNNKG-NHCUHLMSSA-N 432.572 4.514 30 10 IJEE CC(C)SCCn1c([C@@H]2CCCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1288427253 HAWVWEPKAKKGNW-QFIPXVFZSA-N 437.613 4.827 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cc21 1289391077 UKTVDGOIXQCZAU-IRXDYDNUSA-N 433.512 4.865 30 10 IJEE C=CC1(CC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CN(C(=O)OC(C)(C)C)C1 1291635519 URYCXCJWKJJYJZ-UHFFFAOYSA-N 438.572 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1scnc1C 1300319769 DWNNFGBQNAOICA-KRWDZBQOSA-N 437.613 4.620 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1300338153 AEOKNLKZLLKBGC-LJQANCHMSA-N 431.378 4.545 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)S[C@H](C)C1 1300743357 NPUPWTQZFOOUFN-YESZJQIVSA-N 446.711 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1oc(CCC)nc1C 1300807697 DWLJAZJEGDCHBH-XMMPIXPASA-N 437.975 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1nnc(C)s1 1300900851 SXVBAYZSUBMKSF-GOSISDBHSA-N 440.617 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCc1ccsc1 1300901770 SIGOKUQJPVNZDU-UHFFFAOYSA-N 434.407 4.753 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1301041370 KUPNYUVEMVKIDV-INIZCTEOSA-N 436.387 4.659 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1301095961 RXEZLKWYMPLXSE-XUZZJYLKSA-N 449.599 4.726 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C(CC)CC)N(C)C)CC1 1301127478 NRJWUHSQEJEWMH-QHCPKHFHSA-N 445.602 4.916 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1301168867 VNAVLTIZZXSBKI-RTBURBONSA-N 440.979 4.513 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1301226601 GZZUYCVHKQINSS-HSZRJFAPSA-N 435.641 4.997 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@@H]1C(=C)C 1301308259 CLGAKTFZTBRBTM-MGPUTAFESA-N 437.371 4.767 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[C@@H](O)C1 1301358031 VKCDBFVOZRNSKN-AZUAARDMSA-N 438.597 4.759 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)CC1CCCCC1 1301531209 FOPAVHYJBLJZPA-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@](C)(OC)CC1 1301602871 XPDPLGBVPXEHAB-DEOSSOPVSA-N 437.613 4.808 30 10 IJEE CCCCn1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)c(C)n1 1306718312 CZFLPKMEQRYHGJ-KRWDZBQOSA-N 439.995 4.614 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Cc2cccs2)c1 1307560890 GIXAAVKHEMDFCM-UHFFFAOYSA-N 425.897 4.936 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1311970094 AEMDYNRFRQEGNW-JOCHJYFZSA-N 439.556 4.972 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccncc1 1312018123 AYRGURVLBJVNEZ-LEWJYISDSA-N 442.604 4.958 30 10 IJEE C=CCCOCC(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1 1354178543 KGIURSFSCFCNEM-UHFFFAOYSA-N 444.837 4.512 30 10 IJEE C#CCN(C(=O)CCc1c(-c2ccc(OC)cc2OC)[nH]c2ccccc12)c1nccs1 1355164409 NZYVHLQNAXPHBV-UHFFFAOYSA-N 445.544 4.908 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)cc2C1=O 1356463993 CIPIRLUZRQDIRY-UHFFFAOYSA-N 442.519 4.513 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C(C)=C\c2ccc(F)cc2)c(C(=O)OCC)c1C 1357817178 MFBRXDBWIONGOJ-SEYXRHQNSA-N 431.485 4.757 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@@H](F)C2)CC1 1359165468 PNAXXDAYRXPFFY-XUVXKRRUSA-N 447.599 4.687 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1359192588 JKLQQTDLRAAPAR-FYYLOGMGSA-N 437.632 4.833 30 10 IJEE C=CCCCn1c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C 1359220497 AWQLWLGUIOFNEW-UHFFFAOYSA-N 429.996 4.548 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cc(Cl)ccn1 1359224223 KHFWBEFGPWODFK-UHFFFAOYSA-N 448.958 4.771 30 10 IJEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1359243753 CWHQUJGLQHPXCZ-WKILWMFISA-N 441.988 4.664 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1359264708 MZPMYUAOYWJRHB-UHFFFAOYSA-N 449.511 4.763 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@@H]1C(C)C 1359275056 JHUBLUHDGOTRFK-ISKFKSNPSA-N 431.584 4.636 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2sccc2C)C1 1359325627 JGZISQKVMXDWRL-SFHLNBCPSA-N 444.645 4.591 30 10 IJEE C#Cc1cncc(C(=O)Nc2sc3c(c2C(=O)c2ccc(OC)c(Cl)c2)CCC3)c1 1435947635 KDKKAVDJFSMETL-UHFFFAOYSA-N 436.920 4.758 30 10 IJEE C=CCc1ccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(OC)c1 1447188336 VDKZNHUEGJMINY-UHFFFAOYSA-N 442.968 4.938 30 10 IJEE C=CCn1c(SCCOc2cccc(C(=O)OC)c2)nnc1-c1ccc(Cl)cc1 1458779045 MOAIUIBTEAUZLO-UHFFFAOYSA-N 429.929 4.742 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)C2CCOCC2)nc2scc(-c3ccccc3)c2c1=O 1458820090 RFYLXEIFPXASBG-OAHLLOKOSA-N 440.590 4.787 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)c(OC)c1 1459944298 VDPMGLAWPSKVTI-UHFFFAOYSA-N 434.521 4.545 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1ccccc1 1463273283 VAWAVQBDQBESCI-GDLZYMKVSA-N 428.535 4.584 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 1467341667 JZWADBKQYQHQET-JOCHJYFZSA-N 429.605 4.708 30 10 IJEE C=C(C)[C@H](NC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1469854731 UVDGSQXXMFWVKU-SFHVURJKSA-N 425.520 4.774 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1471225519 RPWLBNSPTSQICC-UHFFFAOYSA-N 438.503 4.942 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1SC(F)(F)F 1472291076 FMTMTQULFBBIOS-UHFFFAOYSA-N 433.455 4.979 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(Sc2ccccc2)ns1 1472507705 FTHNJPXBHNCINP-ZDUSSCGKSA-N 440.978 4.664 30 10 IJEE CC[C@@H](O)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)Cc1ccccc1 1473288625 DCWYROSRGDVARR-HSZRJFAPSA-N 436.600 4.693 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc1OC 1474162418 CHDBJZXCHRBGKM-MRXNPFEDSA-N 429.948 4.684 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC([C@H]3CCCCCN3C(C)=O)CC2)cc1OC 1474316549 RYAPGMKPBGZGGO-JOCHJYFZSA-N 435.008 4.917 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C 1474881871 HCKNIVSWGBKHPH-DJPFJPOOSA-N 440.565 4.611 30 10 IJEE N#CC[C@H]1CCCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 1476163006 GUIOHYALQFZORK-QGZVFWFLSA-N 444.457 4.793 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1499398633 GLFQAIDVAOBXIC-VQIMIIECSA-N 436.947 4.569 30 10 IJEE CCCC(O)(CCC)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@](C)(C#N)C1 1500166791 DBSCIHOCOUUFHQ-RUZDIDTESA-N 448.615 4.742 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H]2CCC[C@H]21 1507790379 HZOABZOASDMXKW-QZTJIDSGSA-N 431.378 4.707 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1507829606 FNHQWRBTMMTISI-IBGZPJMESA-N 425.577 4.610 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([S@](C)=O)CCC2)CC1 1507879812 FHJVJUCZEFFFCZ-ZQHDKMAOSA-N 449.020 4.529 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1507944164 NLPQRDWWZMLDQW-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1507953628 HRZVHNBVFXBWHK-ZCNNSNEGSA-N 447.624 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(C)CCCS2)C1 1508113406 GBWMOKAVGJLEMI-ZFGGDYGUSA-N 426.630 4.887 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccs1 1508149675 CTANXWJLBDXVRF-UHFFFAOYSA-N 438.420 4.653 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCSC2)c1 1510584664 FXACLZUALGADHK-YKSBVNFPSA-N 439.629 4.747 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1514038664 HYQMZCUTRHKMGY-GMAHTHKFSA-N 434.632 4.954 30 10 IJEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCCC2)C1 1514619143 IBGHSMIVJCCJFE-QHCPKHFHSA-N 434.632 4.955 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 1515597457 GBOOBRRBJUSZQH-VLIAUNLRSA-N 445.441 4.512 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)C1 1516636091 GROLSWCJEQRVQH-TZIWHRDSSA-N 443.542 4.895 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 1521765773 LXMAYMOEIZCNBY-GOSISDBHSA-N 434.561 4.919 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 1525074566 RJVYQIUYKMDFPA-UHFFFAOYSA-N 436.821 4.816 30 10 IJEE COc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(C)c(SCC#N)s2)cc1 1527146440 GBMWUOMNSSEZJH-UHFFFAOYSA-N 430.580 4.689 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1 1527965316 GXFKDTKNWLBVLP-UHFFFAOYSA-N 445.519 4.580 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F 1528839200 HQULXPSOENFWGQ-QWHCGFSZSA-N 446.363 4.678 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)sc2c1CC[C@@H](CC)C2 1530204151 FMISAMXJOOTYMJ-LSDHHAIUSA-N 426.538 4.717 30 10 IJEE C=CC[C@@H](CC)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 1530641733 NSBICJANUWILLP-GOSISDBHSA-N 428.508 4.776 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1532991807 WUAQPPINCUOUEQ-VWLOTQADSA-N 444.572 4.855 30 10 IJEE C=C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1538937661 DLZQLQIWIXHETP-FQEVSTJZSA-N 433.957 4.989 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)C1CCCCC1 1539153599 GFNCADFMIPZTPO-RUZDIDTESA-N 449.624 4.778 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1539587119 WBYRCPKJFMKTSA-BZNIZROVSA-N 443.748 4.507 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1539939960 MMZAAZSNHDCRAX-UXHICEINSA-N 437.613 4.797 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC(C)(C)c1ccccn1 1540140099 PZMRGTLFANQYSV-OAQYLSRUSA-N 435.547 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1ccncc1Cl 1540154467 XHHKLTOEDVEGMU-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)c1ccsc1 1540158420 GUSBNDZVHIBRBG-OAQYLSRUSA-N 432.952 4.885 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(CN2CCC(C)CC2)cc1 1540677593 NMGHVJBPKOXLIH-UHFFFAOYSA-N 444.579 4.599 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@@H](C)C2)c1 1543736765 JEYRHLMCOQVTTP-QZTJIDSGSA-N 447.000 4.887 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nnc(-c2c(Cl)cccc2Cl)s1 1543862706 DODRFQPNEOOILG-UHFFFAOYSA-N 448.335 4.672 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1546125331 BTDNQNKBKAKBLM-PXNSSMCTSA-N 443.979 4.771 30 10 IJEE C=C[C@@H](CC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1ccccc1 1556857925 NRRGRGQNYWUROY-FXAWDEMLSA-N 425.878 4.994 30 10 IJEE C#CCOCCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1558866020 DBWVCLPBMYHQHG-UHFFFAOYSA-N 435.527 4.928 30 10 IJEE C=CCn1c(SCc2nncs2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1559321687 CVYGJVMAFZVQSI-UHFFFAOYSA-N 430.555 4.902 30 10 IJEE C#CCN(C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C)[C@H]1CCCc2ccccc21 1562192875 GZACVWGGPWYPNR-NRFANRHFSA-N 443.469 4.832 30 10 IJEE CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1562673233 CHLMISZSNQLPMF-ROUUACIJSA-N 436.512 4.729 30 10 IJEE CCOC(=O)c1c(NC(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)c(C#N)cn1CC 1562960198 FOVXYULYWVXWAH-AWEZNQCLSA-N 428.920 4.967 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C 1563464020 PBPPQZPPENFSMO-JKSUJKDBSA-N 426.374 4.549 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(C)c1Br)c1ccc(Br)cc1 1564571928 BTPKXXRDOQFCKK-MRXNPFEDSA-N 436.147 4.694 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1)c1ccccc1 1565277069 FKASCAWWDXCBOX-RUZDIDTESA-N 449.595 4.579 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C 1569685498 KCTNIASTXOZNFE-PXNSSMCTSA-N 435.996 4.627 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)c1scc(Br)c1Br 1583240187 HFHVWPSKWDBNDS-MRVPVSSYSA-N 430.121 4.816 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(Cl)nc1 1587562746 SJLXDJFUVYMICL-GJZGRUSLSA-N 430.339 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(SCC)c1 1587677927 NEKADDQAOUXXAC-DUXKGJEZSA-N 426.630 4.815 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](OCC=C)C1 1587808446 RQHPFCOLIOEBQO-FPOVZHCZSA-N 442.991 4.883 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1587812951 FMFHLQSDENKDIU-LJQANCHMSA-N 435.597 4.652 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1587813767 VCCXAQPUOJTLRX-QGZVFWFLSA-N 427.474 4.994 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1nc2cc(Cl)ccc2s1 1588198216 LCEZBFBRFOCLKH-UHFFFAOYSA-N 435.940 4.621 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)OC(C)(C)C1 1589742366 MNDHYHZESGZBJL-UHFFFAOYSA-N 425.396 4.739 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]2CCC[C@H]21 1593630724 LMARPNJMBKLIAQ-UYAOXDASSA-N 429.609 4.738 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1593695532 FWRBWSHLNCFDCD-DBOLQNLKSA-N 430.980 4.899 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)[C@H](C)CCC)CC1 1594201906 CKSCOEDYMUVWHU-QGZVFWFLSA-N 429.996 4.553 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1594202078 FGIKSVUDRHMBQZ-IBVKSMDESA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CC)Cc1cnn(C)c1 1594473731 YRFUYFPDBOZXIM-UHFFFAOYSA-N 442.995 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(C)c2)CC1 1594511026 ITFCZAAFUUVFIG-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCc1csc(CC)n1 1594929965 RYGXALKLJCYVEQ-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1ccncc1Cl 1595134345 YUBVVCVJDHWANV-NRFANRHFSA-N 441.938 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)SC 1595184914 GHAKKNLPQFSIIW-CYBMUJFWSA-N 425.371 4.777 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1595275488 DYGHFUHHSBMEFB-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC(c2ccsc2)CC1 1595664782 JPNXYRUNLBCCEX-UHFFFAOYSA-N 438.597 4.873 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)C(=O)OCC 1596777572 FTSBWRPOHUDKIV-NRFANRHFSA-N 426.875 4.845 30 10 IJEE C#C[C@@H](NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1)c1ccc(F)cc1 1596936546 LTIZSVKWIRIZPV-QGZVFWFLSA-N 431.298 4.941 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc3c(c2)CCN3Cc2ccccc2)cc1 1621062977 SSDKJRWASDYUTI-UHFFFAOYSA-N 447.604 4.668 30 10 IJEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CCCC1 1629247191 MDVBCAHDNPQHOD-UHFFFAOYSA-N 445.412 4.691 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](OCC)C1 1629545195 FCNGDKKCWNTIOA-CEYNDMKZSA-N 448.563 4.544 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(Br)cc2)CCCC1 1632472954 MMKMXQXMYRLLIT-GOSISDBHSA-N 449.389 4.641 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(C(F)(F)F)cc1 1633470885 IRBFHKKJYBVUQW-CMKODMSKSA-N 436.478 4.666 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ccccc3)c3ccccc32)c1 1635425483 YCMBVRRGMWJJJR-QHCPKHFHSA-N 429.541 4.666 30 10 IJEE C#CCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1638461720 UUUUWDLRXXXGOL-AREMUKBSSA-N 438.527 4.666 30 10 IJEE C=C(C)[C@H](NC(=O)CCSCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1638961800 KQHVLSGIUXQONM-IBGZPJMESA-N 428.545 4.736 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 1640503159 BHHRYCKRMMABFW-QFIPXVFZSA-N 435.321 4.697 30 10 IJEE C=CCn1c(S[C@H]2CCN(C)C2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1640602573 KLAOINCBCRZEBY-RDJZCZTQSA-N 430.643 4.666 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNc2ccc(C#N)c(Br)c2F)C1 1642492738 ZSANOKNZIKOZOU-LJQANCHMSA-N 426.330 4.909 30 10 IJEE C=CCCN(C)[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)c1ccccc1 1642744297 NDQSODMMOAUYLR-OAQYLSRUSA-N 426.582 4.991 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1643640650 PGLQIWRKSQXILC-LJQANCHMSA-N 428.602 4.794 30 10 IJEE C=CC1CCN(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2OC)CCCC3)CC1 1644617540 DFRMWIGAMXWHFI-UHFFFAOYSA-N 438.593 4.703 30 10 IJEE C#CCN(Cc1noc2c1CC(C)(C)CC2)[C@H]1CCOc2ccc(Br)cc21 1653388320 JCVZYRIMWMIPIA-IBGZPJMESA-N 429.358 4.911 30 10 IJEE CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1654657814 DCSTXMQQEJOCBJ-LBPRGKRZSA-N 448.404 4.562 30 10 IJEE N#Cc1cccc(S(=O)(=O)NCC2(c3cccc(Br)c3)CCCCC2)c1 1660604588 HKFGMWNVHNPDCP-UHFFFAOYSA-N 433.371 4.501 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1)c1ccc(Cl)cc1F 1669153364 UQGJHPBVUCUHMQ-QFIPXVFZSA-N 445.899 4.933 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 1672205834 BIXWTWWISDBCJV-VQTJNVASSA-N 428.374 4.514 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1675207735 GTNYLUJZZKRBIC-HXUWFJFHSA-N 445.604 4.819 30 10 IJEE C=CCC1(NC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CCCCC1 1675670664 KOMGUZQWMGCRGV-IBGZPJMESA-N 437.506 4.947 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Cl)cc1F 1676321161 OQZMKOIONQUMFJ-FQEVSTJZSA-N 442.918 4.736 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc(OC)c1OC 1677967183 UKVJFRRIYQVASJ-RBUKOAKNSA-N 434.458 4.806 30 10 IJEE Cc1cc(NC(=O)NCC(C)(C)c2cccc(Br)c2)c(C#N)cc1N(C)C 1678199294 GMNYPIPNXRKLKF-UHFFFAOYSA-N 429.362 4.795 30 10 IJEE CO[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Cc1ccccc1 1682527698 GRTMJXIDHAJGNM-VWLOTQADSA-N 431.511 4.667 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(Br)ccc1F)c1ccc(Br)cc1 1682812275 UVXHDQHYSQXBKX-INIZCTEOSA-N 440.110 4.524 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1686427331 MLASFCIVVIIGOZ-RUZDIDTESA-N 443.588 4.574 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1690044873 BODOYJSRRWLPCE-ZCYQVOJMSA-N 443.639 4.699 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCOC1 1690059718 WJDWNYWKQFMRIN-OALUTQOASA-N 430.980 4.574 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN1C1CCCCC1 1690082841 QDJWXSNTOBQQNZ-VWLOTQADSA-N 433.644 4.710 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCCN1CCC[C@H](C)C1 1690207544 CGAGPQOPFWANJT-HFZDXXHNSA-N 437.607 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC1CC(F)(F)C1 1690214201 AKDQVGJAYSTSPG-OAQYLSRUSA-N 432.540 4.616 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1cccc(O)c1 1690223706 ZMOSCFDAHHEHNO-CYBMUJFWSA-N 448.752 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N(Cc1cccs1)Cc1ccccc1OC 1690239683 ZLCGQGXLBMDKRJ-REWPJTCUSA-N 438.597 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1c(F)cccc1Cl 1690243159 HSSZGYNYHNPKJH-UWJYYQICSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)CC 1690251404 USNBJILEDCOMGH-GCJKJVERSA-N 432.996 4.689 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CC=C(C(C)(C)C)CC1 1690319438 MQJSJQTXVBAVCX-UHFFFAOYSA-N 440.588 4.641 30 10 IJEE C=C(Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690326073 RFPPEPGCSOXJGJ-GBXCKJPGSA-N 446.542 4.514 30 10 IJEE C=C(Cl)Cn1c(N2CCC=C(Br)C2)nnc1C1(c2ccccc2)CCC1 1690358625 GBVGIGGEKPPSSU-UHFFFAOYSA-N 433.781 4.990 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1690396394 AOVHOCZBIQDQAX-UHFFFAOYSA-N 426.605 4.973 30 10 IJEE C=CCCCn1c(N2CCC(C)(c3ccc(C)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690494002 YXLBOBYMJJQARE-AREMUKBSSA-N 438.616 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCOCC1 1690573790 DJCAECYISPXWGH-UHFFFAOYSA-N 439.541 4.534 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](COC)C1 1705510288 WXQWGONVIKAIMC-OALUTQOASA-N 426.630 4.798 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1705527527 AOSOOJGYEQCXLK-UHFFFAOYSA-N 443.979 4.505 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1705527611 DRIQEISZMLQFSN-JOCHJYFZSA-N 449.002 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1nc(C(F)(F)F)cs1 1705593445 BHVADUNHSIXFDG-UHFFFAOYSA-N 449.889 4.585 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](c1cccnc1)C(C)C 1705603976 BVMBKLZYFBJPNC-CTNGQTDRSA-N 435.547 4.852 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCOCC)CC1 1705765776 ZZPORDPIYVGKFK-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1705766958 VFYLTYALYXKYFK-UHFFFAOYSA-N 428.581 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2cccc(C)n2)CC1 1705778638 DVDBSROXMZDUJD-UHFFFAOYSA-N 447.583 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705793801 KKDMJYITLVYZBO-FPOVZHCZSA-N 426.605 4.678 30 10 IJEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1705816557 KMLJPNOZZABDAQ-UHFFFAOYSA-N 434.588 4.632 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC1(C)C 1705842549 PYRXLKOXTDRIQF-RBUKOAKNSA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC(=O)Nc1ccc(F)cc1 1705863906 KKTDLNHGDNWKLC-MRXNPFEDSA-N 427.549 4.824 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)coc1C 1705879015 JZPIERYBXCVRQD-UHFFFAOYSA-N 427.508 4.903 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CC(C)(C)c1ccccc1F 1705880125 WDUHLNABNFALGA-IBGZPJMESA-N 438.547 4.727 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(Br)o1 1705892980 UPGLTDACDGVKIF-UHFFFAOYSA-N 437.725 4.688 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1722356663 ZPMGBRMXKIJQRQ-YKSBVNFPSA-N 438.616 4.675 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCN(C(C)C)C1 1722404943 HMVVKINRENCMDA-WOJBJXKFSA-N 439.673 4.711 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CC1(OC)CCC(C)CC1 1722415512 AQXUHHPDUHJBST-UHFFFAOYSA-N 442.629 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1722513140 RLFDUEDJXIOQNH-UHFFFAOYSA-N 442.523 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)c1cccc(Cl)c1 1722515613 VLFGBGZQNKVLMD-QFIPXVFZSA-N 446.020 4.597 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 1722622717 RYGBKYDCVQBGRW-UHFFFAOYSA-N 437.588 4.868 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722632558 YMUSRGZIRAZMJT-UGKGYDQZSA-N 434.588 4.799 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCCC1(F)F 1722678801 YRHHPQVCYWVFAI-LJQANCHMSA-N 441.526 4.958 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCc2sccc2C1 1722741851 YMEHGQBOUDRJPW-UHFFFAOYSA-N 440.638 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)SC 1740539007 MGVRXZHUWQAVDP-NWDGAFQWSA-N 427.799 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CCC)CCC1 1740554987 YXEOKBZSCVJKFI-UXHICEINSA-N 443.636 4.821 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCCCCC[C@@H]21 1740721272 DFXRTOQBGUNNRU-YADHBBJMSA-N 438.641 4.999 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC(C)(C)C1 1740753513 KWVDQSWFPLXPON-MAUKXSAKSA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@H](F)C1 1740774270 PLJXLFLHGFSJLT-ICSRJNTNSA-N 449.615 4.933 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1740778449 DPCLXWQQPXDBCO-UHFFFAOYSA-N 445.558 4.823 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1740820165 UCFSERSQFQZRQH-LJQANCHMSA-N 441.576 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740849621 PSVLPTUEJROIOH-SJLPKXTDSA-N 446.521 4.754 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1740860312 ZNKYIVMTFGLHCR-GOSISDBHSA-N 429.977 4.989 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1740877323 WBBDTMJUUODOFP-UHFFFAOYSA-N 437.632 4.504 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@@H]2C)cc1Br 1748606649 AUAJDNLVXSYYFR-HLLBOEOZSA-N 446.393 4.748 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCC1CCN(CC)CC1 1748945309 QFIJWGAVBSYRAT-UHFFFAOYSA-N 437.607 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H]1OC 1749061027 IQCVXMORNBYDRB-GTCCEBARSA-N 443.389 4.515 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1749181799 TVOJSRJTDMBYAO-IEBWSBKVSA-N 429.996 4.696 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1749208946 HBCIUGIJZZGLNF-WIYYLYMNSA-N 442.629 4.934 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749219499 JUWUQIXVARLYJN-NRFANRHFSA-N 449.599 4.870 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749219717 QMJGSSMMCFJEAX-VQIMIIECSA-N 445.489 4.721 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749414548 GSCUKJJBBVXWHE-IHPCNDPISA-N 440.588 4.952 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ncc(CC)s1 1749473970 UMSIZRMKSBRLMI-UHFFFAOYSA-N 438.420 4.653 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1Cc1ncccc1C 1749528501 SIUNKODHNUGIKK-UHFFFAOYSA-N 429.524 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCCNC(=O)OC(C)(C)C 1760099064 CAXKHOHBBPFVEG-CTNGQTDRSA-N 439.604 4.583 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(NC(C)C)CC1 1760143118 WTDLQOHARNUXHJ-UHFFFAOYSA-N 446.064 4.994 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccsc1 1760212495 WCLZLYWGHZKAPK-UHFFFAOYSA-N 443.601 4.950 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)Cc1cccs1 1760223966 SDIZLPAGIUFYHV-HXUWFJFHSA-N 446.620 4.877 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1760246912 HWNAALVZHPURDA-UXHICEINSA-N 434.506 4.887 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCN1CCC[C@H](C)C1 1760297497 WLARQWKRYSLTIK-WNCULLNHSA-N 433.644 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760416266 ZBMWGTAKDWFGCQ-DENIHFKCSA-N 426.605 4.937 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1760420664 TWBQTJIWAOCLHQ-YADHBBJMSA-N 426.605 4.958 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760443312 FIJSRTOTXGRFDE-HXUWFJFHSA-N 426.630 4.976 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1760452289 KMLUEPQEMYUZAQ-AVRDEDQJSA-N 437.613 4.609 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCN1CCC(C)CC1 1760457997 OUNNGLORFKCRMY-UHFFFAOYSA-N 438.439 4.513 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCSC(F)(F)F 1760481207 PXZRSZLHHLLAKH-KRWDZBQOSA-N 426.508 4.618 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760507701 ZGHVTUQKZVFZHO-KRWDZBQOSA-N 435.597 4.701 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1764904342 ICTGWJSCUDERNI-IBGZPJMESA-N 440.661 4.659 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)CC(C)C)cn1 1766610099 GYGIGBNEWUELPK-UHFFFAOYSA-N 431.588 4.589 30 10 IJEE C#CCN(C(=O)Nc1ccc(C)c(C(C)=O)c1)[C@@H]1CCOc2ccc(Br)cc21 1772515182 HCLQGGXISQRBSW-HXUWFJFHSA-N 441.325 4.951 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCC1(OC)CCC1 1772522930 YXAYJTCFUOSDOC-JOCHJYFZSA-N 428.964 4.558 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3ccc(C)cc3)n2)c1 1772723938 NGGLWASARRKSKG-UHFFFAOYSA-N 428.583 4.595 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2cccc(C)c2)cc1 1862389250 BIVLONNVVGOLPF-DEOSSOPVSA-N 443.547 4.882 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC(C)C)c1 1862478417 GQFYUVWBZBJUQL-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478985 VUVZHXUKHPCRHA-QHCPKHFHSA-N 441.483 4.780 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862480191 ZYNOHXHRARZICW-WSCWJOSJSA-N 447.531 4.923 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccc(O)cc2)cc1 1862535132 ZZVKSWRIYKIMCN-DEOSSOPVSA-N 443.499 4.742 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862559578 RLAXHEJZPQEDPO-NRFANRHFSA-N 434.517 4.508 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cc(Cl)cc(Cl)c1)c1cccc2ccccc12 1862658742 UAYLRMLLRZTIOM-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccc3ccccc23)cc1 1862666808 MKQNAEAXPUXPPA-OSPHWJPCSA-N 429.516 4.922 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C)cc1 1862675005 ZPKUHJSPTSVMNB-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1 1862921985 AQPYOEQUDSPSGG-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(F)(F)F)=C(c2ccc(OC(C)C)cc2)C1=O 1863360183 PSZCNOCYTXSCPG-UHFFFAOYSA-N 430.426 4.871 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H](C(=O)OCC)C2)nc(-c2ccc(Cl)cc2)n1 1867981618 BNMKRFJDNWYJKZ-IBGZPJMESA-N 440.975 4.755 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1C 1870145188 WKGKXQZZTXJMIM-UHFFFAOYSA-N 437.931 4.824 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(C)cc2C)cc1OCC 1870153562 ZXMNXYAAHWMIGR-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CSc1ccccc1 1870201068 QGEOSVFGYRDOQA-UHFFFAOYSA-N 440.952 4.998 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(CCCCN1CCCC1)CO2 1871348777 MYSQQLJIWRUMAF-HAHDFKILSA-N 436.527 4.778 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871985989 RGZPRDUOHIVVFW-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872083454 FYBGLBQMTBARNM-HSZRJFAPSA-N 428.598 4.932 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)C1CC1 1872203065 HHVVUAQDTWSNAZ-XMMPIXPASA-N 440.609 4.995 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OC)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872582790 UDILQXVOCRGEQV-FDDCHVKYSA-N 444.597 4.542 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(-c4ccccc4)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873272251 HHFFGNKJYPMWNM-DEOSSOPVSA-N 449.510 4.596 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@H](C)CC)cc2)=C(c2ccc(C)c(C)c2)C1=O 1873363821 AZEKURMVCGAYJX-GOSISDBHSA-N 432.520 4.637 30 10 IJEE CCOc1ccc(OCc2nnc(SC)n2/N=C/c2ccccc2OC(C)C)cc1 1874234447 IMMGOAWOIWHSKA-OEAKJJBVSA-N 426.542 4.647 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2cccc(C)c2)cc1 1874335746 XIJOAYYZNCKXAW-RVWJGDDESA-N 447.608 4.794 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874429510 NDCNWVWGFOQPOM-FSJBWODESA-N 428.945 4.772 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1 1874461849 DQILMFVMYRIZJL-NUGSKGIGSA-N 440.834 4.823 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccc(C)cc1 1874594299 BVPLGBZUOGJVMH-GXDHUFHOSA-N 431.488 4.926 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 1875102392 SWYMUHUFGTWTLM-YRNVUSSQSA-N 435.407 4.787 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875164247 ZPFFOTQTJTVUMS-ZZXKWVIFSA-N 445.296 4.636 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 1947964542 XFBPYBWXVNXCDV-MWTRTKDXSA-N 431.533 4.728 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(F)c1F 2079970517 TYXWNEGFDVUJPZ-AWEZNQCLSA-N 449.189 4.883 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)c(O)c1 2080048246 PQVGARPJCQOBQI-QGZVFWFLSA-N 434.334 4.609 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Nc2ncc(Br)cc2C#N)cc1 2162387165 KJGKWMIQOUKSAR-DLBZAZTESA-N 429.318 4.840 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2174566878 ZUOFUNZFEWMPIK-KXBFYZLASA-N 436.394 4.836 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)cnc2C#N)c2ccccc21 2174711110 VFFSBKDTQYCRRG-HNNXBMFYSA-N 429.318 4.823 30 10 IJEE CC[C@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCCN1C(=O)OC(C)(C)C 2181110396 NDMRPIQYKGAXLN-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE CC1(C)OB(C=C2CCN(Cc3ccc(Br)c(F)c3F)CC2)OC1(C)C 2191178757 AWQBIVLWMMDKHM-UHFFFAOYSA-N 428.126 4.881 30 10 IJEE Cc1cc(CN(C)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)sc1Br 2202312834 ABMQXUNJTVPVQH-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)ccc1F 2255618409 ZFCDYQBXGNIONF-UHFFFAOYSA-N 434.317 4.984 30 10 IJEE C=CCCC1([C@@H](N)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266320414 MEFYQYNNJXGBEA-INIZCTEOSA-N 431.321 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)ccc2C1 2267198419 XSYNGYBLSVHVGH-UHFFFAOYSA-N 442.365 4.545 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)s2)OC1(C)C 2267288724 GGEOACSUWGXRET-UHFFFAOYSA-N 447.409 4.932 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)cc2)CC1 2267564692 VELGHQPUIHESTI-MSOLQXFVSA-N 442.365 4.621 30 10 IJEE N#Cc1cc(Br)cc(NCCc2cccc(I)c2)c1 2273801546 DRGKUBOPBUTNPM-UHFFFAOYSA-N 427.083 4.580 30 10 IJEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2282099126 CVDPHHQSKZGQMH-NRFANRHFSA-N 449.400 4.504 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2296273530 PGFRFOGIIUZCCX-DENIHFKCSA-N 435.406 4.672 30 10 IJEE C=CCCC1([C@@H](C#Cc2ccc(Br)cc2)NC)CN(C(=O)OC(C)(C)C)C1 2296293575 LAZRXSHDUYMZPF-LJQANCHMSA-N 433.390 4.592 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(CCNC(=O)OC(C)(C)C)CCC1 2296299639 XQFXGDIZLPLDEZ-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 2296300852 NFTXXMYMKZXHTJ-SFHVURJKSA-N 433.390 4.616 30 10 IJEE CCn1cc(C=C2Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)c2cc(OC)ccc21 2296597395 XBBIHEASZAOLOL-UHFFFAOYSA-N 435.476 4.616 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccc2F)cc1 2296935840 KAFFMZKSBCTWIY-LJQANCHMSA-N 438.480 4.534 30 10 IJEE COc1cc(C=C2SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)ccc1O 2314818193 BQORNZCUTGTISD-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE CCC1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2317353584 IIYUGSJUBJZYHQ-UHFFFAOYSA-N 430.354 4.505 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(C=CC(=O)c2ccc(C(C)C)cc2)cc1OC 2324156576 XHLGFYSZAQIXFU-UHFFFAOYSA-N 439.552 4.971 30 10 IJEE COc1cc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccccc3OC)cs2)ccc1OC(C)=O 2324455699 IOLMUVSAPCOVTD-GOSISDBHSA-N 448.500 4.642 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCc3nc(O)c4ccccc4n3)ccc2C1=O 2325200966 ZLQQBVLQXDZKLK-UHFFFAOYSA-N 426.428 4.539 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC(=O)C(C)C)c(OC)cc2Br)c1 2325707156 SELRCWWNQMKGEX-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE COc1cc(C=CC(=O)C(=O)NCc2ccccc2Cl)ccc1OCc1ccccc1 2325717279 FBTASCTWLSKKDZ-UHFFFAOYSA-N 435.907 4.826 30 10 IJEE CCOc1cc(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SCC)ccc1O 2326519834 YZSSHHHIXDHCJK-UHFFFAOYSA-N 446.960 4.917 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCO)n2N=Cc2cccc3ccccc23)c1C 2327320361 CXNFDZOKIUUKKU-UHFFFAOYSA-N 446.576 4.902 30 10 IJEE CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(Br)cc1 2327601466 XSOJUYJJGDDDHZ-UHFFFAOYSA-N 437.750 4.877 30 10 IJEE CCCNC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cccc(Cl)c1 2330084067 MVXFNZNHSNYCJW-INIZCTEOSA-N 441.988 4.584 30 10 IJEE COCc1nnc(SCc2ccccc2C)n1N=Cc1cc(Br)ccc1F 2331553018 FGVNJFRABGHWDO-UHFFFAOYSA-N 449.349 4.809 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc(Cl)c1 2331673638 JAGBKKPSWYZLKA-UHFFFAOYSA-N 431.924 4.807 30 10 IJEE CCCCOc1c(Br)cc(C=Nn2c(SC)nnc2C2CC2)cc1OC 2331716700 BOGCDABQRQGXPO-UHFFFAOYSA-N 439.379 4.710 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(COC)c1 2337139220 BHUXUVJUJSFOTO-QZTJIDSGSA-N 427.383 4.716 30 10 IJEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2339536643 LMKRCRFJKKADGY-WXVNRZFOSA-N 443.397 4.926 30 10 IJEE CO[C@H]1CCC[C@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349877791 IZXWPIDCOMGMLF-WFASDCNBSA-N 434.115 4.695 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCN[C@@H]1C(F)(F)F 2370259269 WYZXGUOYLABZBR-WMLDXEAASA-N 448.283 4.767 30 10 IJEE CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1 3041252 KKBUUTBXUBGXTB-VYIQYICTSA-N 428.561 4.795 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c1 8905090 DJFMFEIFDAUVKW-UHFFFAOYSA-N 448.544 4.836 30 10 IJEE CCCn1c(CCc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)nc2ccccc21 15870789 IVXZSHALCJEUIK-UHFFFAOYSA-N 444.560 4.904 30 10 IJEE CCSc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2 17098070 FFPMSRISPKHFGI-QFIPXVFZSA-N 432.549 4.991 30 10 IJEE CSc1ccccc1NC(=O)CN(C)C/C(O)=N/c1nc(-c2ccccc2)cs1 31040046 QJODQULLRBNJDP-UHFFFAOYSA-N 426.567 4.691 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1 97655130 ZJSPMCSZNOZLNE-RAXLEYEMSA-N 448.544 4.954 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926057 VSWZWAKKGTVSJY-XMMPIXPASA-N 438.483 4.967 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)cc1 170023911 FHTJEMATCCERQF-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2F)cc1C 170070121 OXRIGEQZSBGVQW-HSZRJFAPSA-N 445.446 4.954 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1C 170189027 XIZDUKOQVUKYDL-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC)c(OC)c1 170216415 MAKYGNTZGFISSA-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1C 170275778 XXSVEQCVJAOXJS-QHCPKHFHSA-N 437.536 4.645 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3OC)[C@@H]2c2ccco2)cc1 170283229 LELIVKPIZSJHSM-QFIPXVFZSA-N 433.460 4.642 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)ccc1Cl 170283561 BEFMRBCQOHBDNO-FQEVSTJZSA-N 439.851 4.820 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccco2)c1 170296654 IDFYDHNQEHURKO-QFIPXVFZSA-N 435.451 4.638 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccco2)c1 170297307 BJWQZUMZAGXXBG-NRFANRHFSA-N 443.459 4.728 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC(C)C)cc2)cc1 170347060 CZZZTHWGBDKXOA-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE COc1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)cc1 170428902 DKYQVOCMZHHQKV-JOCHJYFZSA-N 433.508 4.704 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1OC)NCCC 406699911 JUISLPYIRUWWHA-ROUUACIJSA-N 441.410 4.838 30 10 IJEE C=CCn1c(SC[C@H](O)CC(F)(F)F)nc2scc(-c3cccs3)c2c1=O 470015077 KACZFNMDLIBHOD-SNVBAGLBSA-N 432.514 4.778 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(C)c2)c1 526491374 URSDQESZVQYKFG-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE COc1ccc([C@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526523484 YXLVMOBTXCRNDF-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)c1 586003135 ZBSYSGKGYKDENL-HXUWFJFHSA-N 441.522 4.837 30 10 IJEE COc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586214816 MQQUJKNGTOLDGE-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1 609723671 SEOOGCGIKPGHGT-JOCHJYFZSA-N 445.906 4.707 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(O)nc2ccc(Br)cc12 672239914 TWXQZKWCJBTOHO-UHFFFAOYSA-N 443.345 4.699 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1 698441812 LLQLKZHZANXEJN-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ccc(C#N)c(Br)c1F)C2 705657385 ZAXAGFHOFATYCS-SZPZYZBQSA-N 428.349 4.808 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1 744696149 WDWFQHGPUXZTQL-QGZVFWFLSA-N 435.455 4.590 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc3c2OCC[C@@H]3O)cc1OCC 766088099 UUEFOQPJSHDAQJ-SFHVURJKSA-N 434.330 4.841 30 10 IJEE C=CC[C@]1(C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)CCCN1C(=O)OC(C)(C)C 791800721 INTYGBQDDNBIDG-IVZQSRNASA-N 429.517 4.957 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c1=S 802746742 HTQBSTQLRLCEHR-PMACEKPBSA-N 438.576 4.508 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1cc2c(C)nn(C)c2s1 807972916 WLLFRUZVJPKCJE-UHFFFAOYSA-N 431.447 4.650 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 809882095 RXGGQNANXSDFMP-LJQANCHMSA-N 431.540 4.589 30 10 IJEE CC(C)c1nnc([C@@H](C)Sc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)o1 1084469468 VOCMZWVZPWGXTI-SECBINFHSA-N 426.333 4.917 30 10 IJEE N#CCSc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 1129677596 IBUAYYIGNBNXKG-LOSJGSFVSA-N 445.563 4.839 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(C(C)=O)ccc2Br)cc1OC 1132632302 SGHWLCCPZIRLCU-UXBLZVDNSA-N 430.298 4.877 30 10 IJEE C=CC[C@@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)C(=O)OCC 1138145858 BSZBAXRVCDQWRQ-GOSISDBHSA-N 448.382 4.979 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1 1142214586 CXUPYPRACJZNDN-FPOVZHCZSA-N 433.577 4.845 30 10 IJEE C#CCN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1176130520 WIUNHXFWFKWAKV-UHFFFAOYSA-N 443.588 4.868 30 10 IJEE CC(C)[C@H](NC(=O)CSc1ccc(Cl)cc1C#N)c1ccc2c(c1)OCCCO2 1188869471 DTFUAXKUBFNUIV-QFIPXVFZSA-N 430.957 4.979 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 1208000601 GVKCWIIYBFIIBX-HXUWFJFHSA-N 435.936 4.803 30 10 IJEE N#Cc1nc(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)ccc1Br 1208089453 HNAXXHVSFQOWPQ-SFHVURJKSA-N 439.288 4.960 30 10 IJEE CCN(CC)[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1 1214628727 AWODZICYRIOCRK-QHCPKHFHSA-N 429.524 4.950 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 1216883464 BYAJSZCKELDQBE-KRWDZBQOSA-N 447.373 4.549 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)CC1 1221800053 HWJQQELZYHYYCI-JOCHJYFZSA-N 439.522 4.732 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccc(F)cc1 1230478117 CRMGBIAEGYMSAK-UPVQGACJSA-N 436.458 4.745 30 10 IJEE C=CCCCN(CC)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1230821569 KJJYAPOHJMNJMW-VXKWHMMOSA-N 445.604 4.786 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2 1253666124 IGUSPROQXDVPFH-RUZDIDTESA-N 449.643 4.854 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCc2nc(-c3ccc(OC)cc3)no2)C(F)(F)F)cc1 1272445418 YESPVAFLOVIHIU-HXUWFJFHSA-N 430.382 4.506 30 10 IJEE C#C[C@H](NC(=O)c1c(F)ccc(I)c1Cl)c1ccc(Cl)cc1 1275448051 OHYGXWCIKJAKMX-ZDUSSCGKSA-N 448.062 4.841 30 10 IJEE N#Cc1ccc(N(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)C2CCC2)cc1 1280387082 AMEQCJBMGZEHCV-UHFFFAOYSA-N 434.496 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC(F)(F)C1 1286275677 SPJQUKXIAVHGNO-STQMWFEESA-N 441.295 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1SC 1286275970 VNBGKXCQPVXWEZ-AWEZNQCLSA-N 444.402 4.572 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C1CC1)N(C)C 1286281593 KDEBQVJLGIWURW-UZLBHIALSA-N 437.588 4.611 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCc1ccc(F)cc1)C1CC1 1286357890 DGPCYOVBAINAMX-DHIUTWEWSA-N 438.591 4.961 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCc1ccc(OCC(F)(F)F)nc1 1286525997 OJKBJGSUJPAXQZ-JOCHJYFZSA-N 447.505 4.507 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1286584253 BEZDULMUZYBJME-UHFFFAOYSA-N 442.361 4.789 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc21 1286634991 GYZIDNMDWBCCII-SFHVURJKSA-N 429.952 4.797 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1286640086 FDRLMTSQICCFQA-IAGOWNOFSA-N 430.980 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286640517 JMZUXHJDDLCHFO-UHFFFAOYSA-N 439.604 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286670848 LOWARXFAFUNHJM-UHFFFAOYSA-N 441.645 4.998 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1286680611 YXSDVXSWIZUJSP-QHCPKHFHSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCSC(CC)(CC)C1 1286689423 PERRCZLYMTUOCQ-UHFFFAOYSA-N 438.645 4.985 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@@H](C)C1 1286743933 YBXOCTAFCUCZTE-OAQYLSRUSA-N 432.616 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(C)(C)O 1286746879 FVPGBXRPHZJWSK-UHFFFAOYSA-N 448.596 4.750 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC1 1287604994 BFBDZNXRDHUMFF-FQEVSTJZSA-N 444.624 4.569 30 10 IJEE C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)N1CCCCC1 1288559738 CHMQUZXRZRKQKY-RTWAWAEBSA-N 434.632 4.954 30 10 IJEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1291077366 AMMXBHHUEBCJPX-UJUVCNOISA-N 448.398 4.933 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1291081631 DVEPGCHMFKIVEQ-PTSWNOGYSA-N 432.341 4.586 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@@H](C)OC)n2)C1 1293388983 FJDUTRZMKKJYSZ-SJORKVTESA-N 436.585 4.655 30 10 IJEE CCCCC1CCC(c2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n[nH]2)CC1 1300109774 FAXLUOSIACTWKL-UUKMXZOPSA-N 433.556 4.737 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC12CCC(CC1)C2 1300548385 IFYYVVSZXOACLX-UHFFFAOYSA-N 430.596 4.808 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(OC2CCCC2)c1 1300617259 WKVHBEFCGGVDSY-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC1CCOCC1 1300743045 GEYZSMBTBSQNSR-UHFFFAOYSA-N 444.670 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@H](C)C1 1300901221 NKSIICKKRQBHDV-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCO[C@@H]1C(C)C 1300919149 WVGMJDZEKYCJIT-ZJSXRUAMSA-N 426.605 4.731 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301000202 MRFKBSWEWAZUOS-QFIPXVFZSA-N 442.604 4.542 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1301119087 VJOIIMBJIMORPX-XMMPIXPASA-N 437.975 4.612 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC)[C@@H](C)C1)c1ccccc1 1301166298 TYIHKNQELLEDQA-REWPJTCUSA-N 435.641 4.821 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCSC 1301220497 BHHRNWZFFOZACY-GOSISDBHSA-N 437.654 4.548 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCOc2ccccc2C(C)C)C1 1301554722 LQKHFMBELCOXEK-OAQYLSRUSA-N 447.583 4.632 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1301606027 HPNQDZCHUJNHDR-IRLDBZIGSA-N 437.613 4.797 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCc1cc(Br)ccc1SC 1310371305 KEJJKYSVUKWHRS-UHFFFAOYSA-N 437.334 4.686 30 10 IJEE C#Cc1ccc(NC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)c(Cl)c1 1311259427 WYQPMWYGLCAZOL-UHFFFAOYSA-N 447.760 4.954 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1315684428 BLXFJWRLYUKUOU-MIALQEHNSA-N 431.968 4.625 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1350334113 IBNVGWIGJQPMBN-OAQYLSRUSA-N 442.581 4.558 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1CCc2cc(Br)ccc21 1351585483 GFDLDAAOMOZLIS-GOSISDBHSA-N 445.309 4.608 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)OCc2noc(-c3cccc(Cl)c3)n2)cc1OC 1355890021 GWVLBNAORGBWRP-NTMALXAHSA-N 426.856 4.720 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)CCC(C)C 1358875922 YWJOUHIUTMTIJK-CCLHPLFOSA-N 447.627 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCSC1 1358881375 FHAWBMMQNSWOIX-UXHICEINSA-N 426.630 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CCCNc1ccc(C(F)(F)F)cn1 1359064303 PPFKQRGBYJGGMU-HRAATJIYSA-N 434.510 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(F)F)c1 1359067286 IBUHWBRIAQWJGV-JOCHJYFZSA-N 427.886 4.972 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1359079324 GGUPJAPGPJNEHU-FQEVSTJZSA-N 445.405 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CC)C1 1359094612 CUESSJHRWPYQGZ-XQFWAAQXSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1CSC 1359104623 DLJAJFNMMXVLGX-VIYGXFRKSA-N 448.677 4.510 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359124538 LYMCGRAFEXHCHI-KRWDZBQOSA-N 439.551 4.528 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(C)CCCO2)CC1 1359162243 JVNHGKHEHDXPJV-FQEVSTJZSA-N 435.341 4.572 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 1359221072 QVWNMPJRDJHQDW-FQEVSTJZSA-N 441.645 4.610 30 10 IJEE C#CCN(C(=O)c1cc(Cl)ccc1OC)[C@H]1CCOc2ccc(Br)cc21 1360310690 KAHQRAHQUZJBOD-KRWDZBQOSA-N 434.717 4.710 30 10 IJEE N#Cc1cnc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c(Cl)c1 1435073657 FWMVVKICTXXZPZ-NRFANRHFSA-N 430.895 4.836 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(Cn4ccnc4C(C)C)c3)n[nH]2)c1C 1441621965 GSVQJYCLPLHBIO-UHFFFAOYSA-N 443.555 4.697 30 10 IJEE Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1C 1448400099 GMRFHIZPJTXKEW-UHFFFAOYSA-N 446.454 4.990 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@]23CCC[C@@H]2C3)ccc1Cl 1462988631 IJNVNXARQCTJSG-OPAMFIHVSA-N 448.947 4.533 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1c(C)c2cc(Br)ccc2oc1=O)c1ccccc1 1463269503 GNRAZIYHNYEWQG-HHHXNRCGSA-N 446.322 4.717 30 10 IJEE N#Cc1cc(S(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)ccc1C(F)(F)F 1463710664 HTOPTSPVGPWLCH-UHFFFAOYSA-N 434.361 4.563 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc(NC(=O)OC(C)(C)C)s2)cc1 1464475969 SRPXVDZDCXQPMB-UHFFFAOYSA-N 442.541 4.557 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1 1464801546 BWTWMWWKLRTGMW-FQEVSTJZSA-N 432.307 4.832 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cnn(-c2ccccc2)c1 1466816779 NMUSVRHNZSQMCF-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C#CCN(C(=O)Nc1cccc(COC(C)(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1467394833 SCUUCHVMZDPPMR-UHFFFAOYSA-N 443.588 4.868 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 1468147897 OPTOBZBJGOSLNC-QMHKHESXSA-N 433.458 4.952 30 10 IJEE C=CC(C)(C)CCCNC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1471245745 LXUZKKUJLJUWJS-KRWDZBQOSA-N 426.401 4.747 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1499398632 GLFQAIDVAOBXIC-QFBILLFUSA-N 436.947 4.569 30 10 IJEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)c2cccs2)cc1 1504304771 GCPBEAMQHXIESU-KRWDZBQOSA-N 439.585 4.501 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507701242 ARGRSSRJWJHXDR-XUZZJYLKSA-N 426.580 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1507797662 PWVHKCYCFGEFKG-YTXYEVPYSA-N 432.515 4.620 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(CC(C)C)CC2)CC1 1507876381 DZEXCDIEZVIGKF-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1507912560 RDTOSBZWNBVOJA-JOCHJYFZSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1507913675 YLOXETZLWBUIGE-QHCPKHFHSA-N 444.627 4.962 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507925844 JZAFWUUKTKZFPV-DEOSSOPVSA-N 426.561 4.672 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nc(C)c(C)s1 1507986757 USNQHNMCCMVXNU-UHFFFAOYSA-N 438.384 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cc(C(C)(C)C)no1 1508008856 JNTZEFSAGIEXFL-UHFFFAOYSA-N 434.569 4.928 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](CC)N1CCCC1 1508015404 UZXMTEGPQUCZOG-OAQYLSRUSA-N 430.600 4.855 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1508020402 NEWHJEXHYMGKHB-KDURUIRLSA-N 442.677 4.569 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(F)(F)F)C1 1508103864 FGOHFHAYAQMVRE-SFHVURJKSA-N 445.489 4.675 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC(C(F)(F)F)CC1 1508167455 KHMOAFRLPREKRP-UHFFFAOYSA-N 440.535 4.863 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(Br)c2)CCCC1 1518995114 DMNUGSQDZFPDEE-MRXNPFEDSA-N 427.342 4.716 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCc3c(Cl)cc(F)cc3C2)nnc1-c1ccco1 1527514813 MWNPHAAMFYRFTQ-UHFFFAOYSA-N 446.935 4.584 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1nc(-c2cccs2)no1 1528000544 AYOFZYASWCGKON-UHFFFAOYSA-N 434.315 4.697 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCCOc2ccccc2)c(OCC)c1)c1ccc(F)cc1 1528048206 WREALVULJOSSAY-QHCPKHFHSA-N 433.479 4.787 30 10 IJEE C#CCOc1cccc(NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)c1 1529312387 ITEXWJMXXGMLPQ-UHFFFAOYSA-N 446.316 4.578 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3c(OC)cc(F)cc3s2)CCCN1C(=O)OC(C)(C)C 1530528408 PZDJFOAMFRBZFM-OAQYLSRUSA-N 435.521 4.728 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)cc(OC)c1OC 1534156310 DVMTWMVUXGIOOJ-HNNXBMFYSA-N 430.932 4.563 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccc(Cl)cc1F 1535504421 DRSPNEFPQVYICA-BBATYDOGSA-N 439.701 4.630 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1c(C)noc1C 1538983895 YTPRYABCRWGTJF-OAGGEKHMSA-N 437.613 4.998 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)c1ccccc1 1539546325 GSHJBCXKKOGUGB-XMMPIXPASA-N 434.975 4.512 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539895902 DFDOIGBVXPIRGV-VQTJNVASSA-N 441.595 4.519 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1OC(F)(F)F 1539896473 XNRFLGIKPYNNRV-UHFFFAOYSA-N 431.414 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1539908849 CFASELZOFOKAQC-RTBURBONSA-N 445.970 4.587 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCCCCC[C@H]21 1540042826 RWOHFVYNPRTUCG-PZJWPPBQSA-N 428.552 4.748 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCCC1 1540142201 JKOZRSNKACTJNM-UHFFFAOYSA-N 436.629 4.777 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N(C)C 1540185539 SVDNYJICGZPCFJ-INIZCTEOSA-N 431.943 4.516 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1544254034 OZABYVJJXSUQDI-HXUWFJFHSA-N 436.512 4.934 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)C1 1546079099 FZDYURDKOLXJDQ-REWPJTCUSA-N 425.602 4.641 30 10 IJEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1555450168 HOUMXOWPLCSLNL-DFQSSKMNSA-N 447.505 4.973 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)c1ccc(C(=O)NC(C)(C)C)cc1 1559915801 AJBOCMKHESPOBX-KRWDZBQOSA-N 438.597 4.684 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1 1560987193 SQIOICQFBRQOND-UHFFFAOYSA-N 447.000 4.748 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1C)c1ccc(Br)cc1 1584708881 WSKLLWYPHSNZET-SFHVURJKSA-N 428.717 4.701 30 10 IJEE C#CCSc1ccc(COC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 1585106420 TZEMDGFUULTPBI-QFIPXVFZSA-N 433.495 4.910 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCCCC)CC1 1587827642 RUMSTPBOTBFFCZ-UHFFFAOYSA-N 442.007 4.535 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCCC1 1587909543 NDZSHZJGBHJPND-FQEVSTJZSA-N 444.023 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](c1ccco1)N(C)C 1588198187 JYAOZGGALROVTM-QHCPKHFHSA-N 443.595 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSCC1 1589493128 GEHDCLLGSDEODP-ZWOKBUDYSA-N 449.020 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cccc(OC(F)F)c1 1589528014 CHHGGPTUODHNQG-ICSRJNTNSA-N 432.515 4.765 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1593718435 YHBPLCWRZBPAJW-QUCCMNQESA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1594115533 TXEBCQPCNFDJSA-UHFFFAOYSA-N 431.584 4.784 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@H](C)C1 1594783788 ITFRMHPYUZKHLC-SJORKVTESA-N 437.009 4.606 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCc1ncc(CC)s1 1595127351 NBBMUEYWESWZGC-UHFFFAOYSA-N 448.571 4.933 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCCCC1 1595156902 RYQFGWIPHXWMBA-LJQANCHMSA-N 430.618 4.776 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](OCC(C)C)C1 1595859873 CBWFWRGCJHSCMW-FQEVSTJZSA-N 437.613 4.664 30 10 IJEE C[C@H](Cn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1)c1nc(-c2ccccc2)no1 1611586442 BSKBXKHRBQSCHT-GOSISDBHSA-N 447.587 4.850 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)n(-c2ccc(C#N)cc2)n1 1624687402 FLCXPUDIJAEOST-OAQYLSRUSA-N 447.514 4.866 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 1627150517 HUXCJRLOXSAOEH-UHFFFAOYSA-N 428.554 4.536 30 10 IJEE N#CCOc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 1631010493 DXCXXJQQUWAJQT-QFIPXVFZSA-N 442.544 4.982 30 10 IJEE C=CC1(CC(=O)N(C)[C@@H](C)c2ccccc2Br)CN(C(=O)OC(C)(C)C)C1 1631214829 XMRJHVXXZWQTDL-HNNXBMFYSA-N 437.378 4.782 30 10 IJEE C#CC[C@H](NC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1)c1ccccc1 1633351370 MKWYGDXUBUXXNB-QHCPKHFHSA-N 428.511 4.936 30 10 IJEE C=CCC1(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)CCCCC1 1635576117 HQNNEOQQEUSSPC-UHFFFAOYSA-N 432.520 4.506 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 1640538956 OGTPTRRLTMBGQM-VXKWHMMOSA-N 447.000 4.651 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(F)F 1641216915 CUEUFHYVOSVBJK-LJQANCHMSA-N 444.482 4.580 30 10 IJEE CCSc1ccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c(Br)c1 1642109343 FBOQJGOTCNRMPO-NRFANRHFSA-N 430.415 4.944 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br)c1ccccc1 1643574397 IKNRLPAEIIJYGC-MOPGFXCFSA-N 443.341 4.506 30 10 IJEE CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 1654904756 CGKHLZGDBJUYOD-UHFFFAOYSA-N 426.469 4.713 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(CC)C2CCCCC2)nc2sc3c(c2c1=O)CCC3 1656057828 ALJMQFSDOWDKGZ-OAHLLOKOSA-N 445.654 4.795 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](CC(=O)OC)c3ccc(C(C)(C)C)cc3)cc21 1664929708 SQVNKLLNGDXWDU-OAQYLSRUSA-N 434.540 4.946 30 10 IJEE N#CC1(CNC(=O)NC[C@@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)CC1 1665559006 FVOTYZDUNSDTKN-SFHVURJKSA-N 449.407 4.757 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1 1667540070 CZTWKVOHXLHORC-WIYYLYMNSA-N 437.540 4.969 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)C1CCOCC1 1673333245 KVMRZMDNUKTECB-FQEVSTJZSA-N 429.314 4.791 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1cc(C(F)(F)F)ccc1Br 1675023100 FAYZIERJTVRJQV-UHFFFAOYSA-N 445.210 4.941 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)cc1 1675409285 KGOPWCPRPNAGOA-NBGIEHNGSA-N 431.580 4.685 30 10 IJEE C#CC[C@H]1CCN(C(=O)N[C@H](C)c2sc(-c3ccccc3Br)nc2C)C1 1685490464 FEDMNMRLZFBLFL-CABCVRRESA-N 432.387 4.997 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1685817655 TWDHRSZQSHMRSH-RHSMWYFYSA-N 437.428 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1CCO[C@@H](C)C1 1689838979 BEGYFKLWQOIFGG-JYJNAYRXSA-N 449.368 4.510 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCN(C(C)C)C(C)C 1690037287 SWMDSDKPOQFIJA-UHFFFAOYSA-N 431.584 4.663 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1sc(C)nc1C 1690085472 BBOLETCEDWZGEZ-UHFFFAOYSA-N 432.018 4.805 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)c1nccs1 1690089486 CCJYVPLWFALPHB-FXAWDEMLSA-N 439.560 4.559 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1690413441 UAGHEDKCWBMCKT-HSZRJFAPSA-N 443.016 4.894 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nc(C)cs2)CC1 1690415655 SVYSPDAQRSUOBU-UHFFFAOYSA-N 429.977 4.726 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690452108 WVWSDMGLUZKIMH-ZJOUEHCJSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1690460484 JAWHFABHFSJMLV-FQEVSTJZSA-N 448.615 4.771 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690462821 POBZZUYNJYJJLG-XZOQPEGZSA-N 442.579 4.965 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1690538962 SYAXKAXHYCEFAS-HUUCEWRRSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@@H]1OC 1690553953 OAPPXRPMZHVZRP-IRLDBZIGSA-N 436.556 4.863 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC[C@H](C)N1CCCCC1 1690563292 MOTQKGZALLLKCT-QFIPXVFZSA-N 432.616 4.741 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@H](C)N1CCC(C)CC1 1690571868 LMPFGHXLXLHOLP-FQEVSTJZSA-N 425.596 4.683 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCN1CCC 1690587019 XOLYKCZTFNJOTP-FQEVSTJZSA-N 444.421 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCC1(F)F 1690600960 LHORQTILIHAXTK-IBGZPJMESA-N 427.499 4.733 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2OC)C1 1696536986 DHCRTTDZXGWWNG-FNAHDJPLSA-N 439.629 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(Cl)nc1 1705502653 ICCYYCTZCFENBW-GOSISDBHSA-N 437.975 4.844 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1705508881 XTPCMQLTKRFGOU-PXNSSMCTSA-N 432.515 4.774 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC=C(Br)C1 1705512326 ZNNCJIWMQNYVFF-UHFFFAOYSA-N 449.780 4.900 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1705524640 QBOQNPRIXJEGDM-ZJSXRUAMSA-N 449.643 4.611 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1cnn(CC)c1 1705525443 JBMHZPTWADOIFZ-UHFFFAOYSA-N 445.596 4.643 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1CCCCC1 1705606706 DAYHINYAPKFEHO-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CC[C@@](C)(CC)O1 1705620591 YOWDJMQQJMBALJ-PXDATVDWSA-N 426.580 4.993 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)c(F)c1 1705678451 BWSFUETVUHSUMJ-WSCWJOSJSA-N 428.527 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705706842 ZXTGMGDAJYTJBA-UWDQQESISA-N 430.637 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C)C1 1705710022 UPQRZAYSSLKIBC-YYDVJCTNSA-N 442.629 4.797 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1705751962 DEEYCRMHBAPGGY-FQEVSTJZSA-N 441.938 4.726 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705808936 DUVFZNZZUIRARG-RUZDIDTESA-N 442.604 4.863 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCOC(C)(C)C)C1CC1 1705849954 AMEGRKMILBHRHR-UHFFFAOYSA-N 433.394 4.986 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1nc(C(F)(F)F)cs1 1705856782 FNYQYJMYHRIUHA-UHFFFAOYSA-N 437.491 4.565 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CCN1CCC(C)CC1 1705863579 XPBYQLGPVXODSW-UHFFFAOYSA-N 435.641 4.855 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705949213 RUCXHHPGFRTHKX-FPOVZHCZSA-N 444.670 4.803 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOC(C)C)c1C 1706978535 GOICAXFXFUAPPA-RDPSFJRHSA-N 425.577 4.590 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOc2ccc(Cl)cc2)n1 1707595113 FJGXWENUZXXGCZ-QHCPKHFHSA-N 436.947 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1OC 1722389230 GGLKDRFQKAYIIM-LJQANCHMSA-N 444.604 4.651 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccccc1)C1CC1 1722404851 GARAGTMLKFXFOH-LJQANCHMSA-N 438.373 4.689 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H](C)CC 1722453419 ZYFMKQSGRMHMSP-AWEZNQCLSA-N 439.398 4.695 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccco1 1722469387 AZSDFGVEMGLGSR-OAQYLSRUSA-N 425.330 4.649 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCC(OC)CC2)CC1 1722560429 ZIJBQTOWRMUPFC-JSOIOWGOSA-N 428.552 4.919 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2cn(CCCC)nc2C)CC1 1722569026 KCXHTACROCRIOT-UHFFFAOYSA-N 432.616 4.963 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC2(CCOCC2)C1 1722609395 ANPRKJHKYKBNDL-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722612976 ZIMYUMQTSBPRRJ-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722683795 VTNFLUIYDSMZFF-IAQYHMDHSA-N 448.217 4.975 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)S[C@@H](C)C1 1722734241 ABINWUHXXGCBCW-IRXDYDNUSA-N 425.627 4.743 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1722738323 GDZMFGGYWKTUCW-IRXDYDNUSA-N 435.663 4.616 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2cccc(F)c2[C@H]1C 1722742371 RVOYUKCDNXJIDL-OAHLLOKOSA-N 443.617 4.816 30 10 IJEE C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C#N)CC1)c1nccs1 1723816165 FCELXOVPCJSBFE-HOTGVXAUSA-N 440.548 4.557 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](COC)C1 1740584359 FXHNIXUQGDYWKF-QFIPXVFZSA-N 431.584 4.629 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCS[C@@H](C)[C@H]1C 1740584917 SUDUZDQMMVARNW-MOPGFXCFSA-N 436.581 4.861 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCCC1 1740662895 YQLJRUBCNBGPIU-JOCHJYFZSA-N 437.632 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740761879 PNEIGKLQZLBHLB-RXVVDRJESA-N 434.531 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCN1CCC 1740769916 YNUSLRAOZXNPOS-OAQYLSRUSA-N 426.565 4.520 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1740783619 OGLYTVCEFICAEG-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1740842350 WIRHGCXTACCZAA-GBXCKJPGSA-N 442.579 4.850 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1740847413 HYEVWMDPNHLRLE-JOCHJYFZSA-N 447.583 4.940 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@H]1CC 1740919412 FKRCOTQMJFHGFO-RBUKOAKNSA-N 427.568 4.574 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(Cc1cccc(F)c1)C(C)C 1740943860 CMSFZYGPDLIPDI-UHFFFAOYSA-N 432.341 4.786 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@H](COC)C1 1740999087 ZIOSOMXWTFYMND-INIZCTEOSA-N 439.000 4.910 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(CCc2ccccc2)nnc1N1CCC(CC#N)CC1 1743042800 DLODHVAFSQBDKC-ZJSXRUAMSA-N 435.616 4.789 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(O)CCCCCC1 1748836141 QUEXKYDNSVNMKK-UHFFFAOYSA-N 448.611 4.528 30 10 IJEE COc1cccc(C(C)(C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(CC#N)CC2)c1 1748889304 IBLXSRQJGHEBIG-UHFFFAOYSA-N 433.556 4.963 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 1748935919 FRAXQPZJFQAXSE-UHFFFAOYSA-N 443.595 4.678 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2sccc2C1 1749022424 JQIJCEPDUIWRPX-MRXNPFEDSA-N 442.585 4.548 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1749091905 HPTGCKWLBGPKDR-QGZVFWFLSA-N 448.315 4.597 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1749286077 DTFPXUKBIPPXOM-ZYLNGJIFSA-N 442.604 4.770 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1749342065 VBDAXVGVUINROO-UGKGYDQZSA-N 444.023 4.531 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc3c(cc2C1)CCCC3 1749387319 YEANLNUYLSATPT-UHFFFAOYSA-N 449.643 4.994 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1cccc(F)c1 1749579332 MCAFDFRZKNJNAQ-UHFFFAOYSA-N 425.577 4.929 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCc1csc(C)n1 1749585057 WVCOLPTVDZDYMO-JOCHJYFZSA-N 437.613 4.762 30 10 IJEE C=CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(F)(F)C1 1749746536 GTFZYYPKTCJOFH-UHFFFAOYSA-N 446.523 4.882 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OCC)CCCC1 1760122551 NMXBTUYQAUIHFL-FQEVSTJZSA-N 438.616 4.962 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C1CCCCC1)N(C)C 1760227891 PBDUOLHIJRYZOT-DENIHFKCSA-N 441.595 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)c1ccco1 1760332131 VQGFHRASKKTZKP-OAQYLSRUSA-N 445.361 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N1CCC(C)CC1 1760337944 BDWNFGPYHHCWOU-IBGZPJMESA-N 431.575 4.670 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(COC)CCCCC2)CC1 1760398505 AYMLGNCSCYKXEW-UHFFFAOYSA-N 439.560 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1760411069 BCLFLYKJMXUHEI-UHFFFAOYSA-N 437.632 4.787 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1Cc1c(C)coc1C 1760478072 UBIGZTLXBZHRHZ-HSZRJFAPSA-N 436.556 4.979 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C(C)C 1760489931 MXRANZYLDGULBR-OPYAIIAOSA-N 440.463 4.559 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(C#N)cc2)on1 1764070621 ASRMQNXZORAPEO-UHFFFAOYSA-N 429.528 4.721 30 10 IJEE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750825 OAWYEBXUJRZGCS-UHFFFAOYSA-N 428.414 4.829 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)Nc2ccccn2)c1 1858753128 MFMJSWNWLCCZRW-UHFFFAOYSA-N 445.523 4.584 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(CNC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)c1 1859031573 OXEWOZUIBOLKDG-UHFFFAOYSA-N 446.890 4.710 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)cc2)cc1C 1862401200 VYORYTDAJSQKAT-NQKDMWHGSA-N 435.520 4.866 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862474628 QLGQAKFOWLIBHG-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2F)ccc1F 1862501499 DHLGXRVFZBHIHO-QHCPKHFHSA-N 449.453 4.931 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862537453 WBFPQPVBNGJUAE-QHCPKHFHSA-N 435.520 4.874 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725789 RWQUPOLWFVIPJJ-WAIKUNEKSA-N 447.918 4.966 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 1862748526 DHFNXEBDUJZLHH-IBGZPJMESA-N 438.436 4.574 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(C)c(C)c2)C1=O 1863607421 AKCVXPAAHBYIJW-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccncc1 1864604580 TVQNWLMLVBKCQU-NRFANRHFSA-N 439.604 4.558 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866751665 AQNHXUXERHAKAH-FCHUYYIVSA-N 441.572 4.704 30 10 IJEE CCCC[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867714021 WJQKJAIKSSGHPH-UXHICEINSA-N 432.351 4.972 30 10 IJEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870162213 ORQRSLGCAAQCKP-HUUCEWRRSA-N 432.698 4.841 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c2C1=O 1871363084 FQFDMHPAHFTRKP-NVNXTCNLSA-N 427.667 4.895 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871971569 IMDQRCMBLXUXMW-OAQYLSRUSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCC 1872294161 JRWLMRHEJPAPMZ-QHCPKHFHSA-N 449.661 4.648 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872296264 HSDCJGKZWUSKGH-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(OC)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872329584 CEQQEVJWUSSHNI-XXBNENTESA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)CCCC 1872478393 KUFDRFGVAYHJKT-QHCPKHFHSA-N 428.598 4.937 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(F)c(F)cc2F)C(=O)N(C2CCCCC2)C1=O 1873236883 QCEQDYBPCLQSMI-UHFFFAOYSA-N 425.410 4.500 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc([N+](=O)[O-])c1C)n2Cc1ccccc1 1873612546 ALJGRSLIHFUQKA-UHFFFAOYSA-N 442.479 4.546 30 10 IJEE CCCCCCNC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1873853684 VDGFEWZEBRITRJ-OYKKKHCWSA-N 432.520 4.870 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc2c(c1)OCO2 1873886392 UFDHPGRSROTBSC-DNQXCXABSA-N 436.552 4.803 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)oc2c1 1873971766 SJICPCWKUYRXDZ-UHFFFAOYSA-N 445.437 4.934 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccn1C 1874207103 ARAOECYFNHYISY-CIAFOILYSA-N 430.375 4.520 30 10 IJEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874346867 KIHWODFWJYQYBE-PXLXIMEGSA-N 443.370 4.822 30 10 IJEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccncc2)c1 1874353907 IGQJUQSPYRELKJ-VULFUBBASA-N 433.512 4.704 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874386111 YZBSAPQEOZDLGO-WSDLNYQXSA-N 447.333 4.919 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccc(F)cc2)c(O)c1 1874410237 JWKFXYLEOPYAMX-FSJBWODESA-N 440.525 4.655 30 10 IJEE CCCCc1nnc(SC)n1/N=C/c1cc(Br)c(OCCC)c(OC)c1 1874475500 DDZGSAHWBSUQSZ-UDWIEESQSA-N 441.395 4.785 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccc(C)c1 1874480236 OJRJOIQHZUCBAH-DUYBAWCLSA-N 435.597 4.781 30 10 IJEE CCOc1cc(/C=N/n2c(COC)nnc2SCc2cccc3ccccc23)ccc1O 1874502800 ANPRCKSAODXJPI-AFUMVMLFSA-N 448.548 4.857 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)cc1 1874617317 VUUWHJPBXJZFDW-VZUCSPMQSA-N 441.480 4.858 30 10 IJEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 1874698349 RQZWKRUOHYINLN-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(F)c(F)c1 1875094798 JGTKXTXHWRLUAU-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1 1875120268 LECINRUGPVIYKX-RIYZIHGNSA-N 448.471 4.593 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)CCOC 1875193947 HDFLHOYBRNVJAF-VQHVLOKHSA-N 444.911 4.924 30 10 IJEE N#Cc1cc(Cl)ccc1NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1885411337 CZWQVDZWEMZZPK-UHFFFAOYSA-N 431.879 4.689 30 10 IJEE Cc1c(C(=O)N2CC=C(c3cncc(C#N)c3)CC2)sc2nc(-c3ccccc3)cn12 1890675775 CAWWNMNQZPLACP-UHFFFAOYSA-N 425.517 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN2Cc2ccc(Br)cc2C#N)C1 1962844960 UJQRNLZVJDSBJO-OAQYLSRUSA-N 434.378 4.686 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)CSc3ccc(Br)cc3)C2)OC1(C)C 1965478365 XLWWYMHTTYGXEJ-AWEZNQCLSA-N 440.212 4.626 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)cn1 1980507334 YJPWKWPXTVQESR-ZDUSSCGKSA-N 430.427 4.793 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2ccc(Cl)c(Br)c2)C1 2063052174 QKESUUQYPXRYFJ-MRXNPFEDSA-N 430.770 4.867 30 10 IJEE N#Cc1ccc(Oc2ncc(I)cc2Br)c(Cl)c1 2069536221 RWVLHFXKZCBYEX-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(C)(C)C)c(C#N)c2I)c(F)c1F 2079939346 NAUBVAAVNWSGDI-JTQLQIEISA-N 429.252 4.853 30 10 IJEE CCCOc1ccc([C@@H](C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2080079174 DGGUROXSIMETLN-SNVBAGLBSA-N 449.214 4.776 30 10 IJEE CCN(CC)CCN(Cc1ccccc1)Cc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 2095944510 GKQLPPXYDSLDLK-UHFFFAOYSA-N 436.449 4.638 30 10 IJEE CC(C)(C)OC(=O)NCC1CC(F)(CNc2ccc(C#N)c(Br)c2F)C1 2115605823 QHVALOQYYHJORC-UHFFFAOYSA-N 430.293 4.515 30 10 IJEE CC(C)(C)OC(=O)NCC1CC(F)(CNc2cc(Br)c(C#N)cc2F)C1 2115606619 XEZOPWDBGREJDS-UHFFFAOYSA-N 430.293 4.515 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cccc1Br 2116838389 GXTKINNEVYKNNY-FUHWJXTLSA-N 427.358 4.936 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181115197 RKUCWHQGSXLOCT-IOASZLSFSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181141487 LWIGJMRHNULHRT-ZBFHGGJFSA-N 436.350 4.733 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2235746002 GZVTVNIZLTUDIN-ILZDJORESA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2235749176 HOZOXBYDJGXNSI-RTBURBONSA-N 435.406 4.814 30 10 IJEE C[C@H](C#N)C1CCN(C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243917557 UOXWYGAHSULJQP-GOSISDBHSA-N 445.563 4.702 30 10 IJEE C=CCCC1(C(=O)NCc2sc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266319216 ZXGZXTSSLDLPGY-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE N[C@H](C#Cc1cccc(Br)c1)c1ccc(Cl)c(I)c1 2278737707 NRPJVCBMGHIUON-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2280424871 WLDHAXRHKQDAFD-NQIIRXRSSA-N 439.369 4.518 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2285955127 PKPDSWVXTBPRTO-WGBREUIYSA-N 434.378 4.990 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F 2296230456 UCGLCISZIQIQCW-OXJNMPFZSA-N 445.348 4.575 30 10 IJEE O=C1C(=Cc2ccc(Br)cc2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 2296599709 GMXZMDFHTLLJAF-UHFFFAOYSA-N 449.304 4.812 30 10 IJEE C#CCOC(=O)C=Cc1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 2314019681 XCLAIMVWIPVRAE-UHFFFAOYSA-N 435.701 4.880 30 10 IJEE Oc1ccc(Br)cc1C=Nn1c(SCc2ccccc2F)nnc1C1CC1 2320853580 IIVFQPYGICUALC-UHFFFAOYSA-N 447.333 4.937 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2Cl)cc1OCC 2322141780 NAFFLJWPZLZICB-UHFFFAOYSA-N 446.960 4.869 30 10 IJEE CC(C)Oc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 2322236304 DYLHDANVRUGDFF-UHFFFAOYSA-N 430.961 4.901 30 10 IJEE COc1cc(C=NNc2cnn(-c3ccccc3Cl)c(=O)c2Cl)ccc1OC(C)C 2322624177 JOUGBCPPCLQAJD-UHFFFAOYSA-N 447.322 4.781 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2322904238 NEXXAUZXSNZXJW-UHFFFAOYSA-N 439.467 4.951 30 10 IJEE CCCOC(=O)COc1c(Br)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2323914699 GLZYYDAVCBQTGW-UHFFFAOYSA-N 447.325 4.994 30 10 IJEE Cc1cc(O)c(CN2CCC(N(C)C)CC2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324161847 ZLQQFZZHDGPGNQ-UHFFFAOYSA-N 444.934 4.635 30 10 IJEE Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2326211873 XFLXBLRRKRQCBI-UHFFFAOYSA-N 428.517 4.980 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2327649430 BKSPVZJKLZTDBB-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(Cl)c1 2329557810 PXXNISQMEHWYRL-UHFFFAOYSA-N 448.379 4.752 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1OC 2330647978 UJZNIKWVUIZIBB-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)c1cnccn1 2331232594 IOAOHHUJZVYUDA-UHFFFAOYSA-N 428.488 4.946 30 10 IJEE CCOc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)ccc1O 2331455852 STCWWBIWUYXHRY-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)ccc1O 2331493298 TYGYHIQZAALNRS-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(SCCCO)nnc2C2CCC2)cc1 2331540006 RUSKVVSDYQAULR-UHFFFAOYSA-N 449.624 4.929 30 10 IJEE Cc1cc(CNCCCCCN(C)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2343658664 CYEPRWRBZNTSHI-UHFFFAOYSA-N 436.449 4.686 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(C)C 2360197491 NIYBPMHMFULFOT-DXIQSLLYSA-N 435.406 4.718 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2362710419 UDQGPOUEIQWTFD-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@H](O)C#Cc1cccc(Br)c1 2363477319 OYPFCUKAAVYVGD-RBUKOAKNSA-N 436.390 4.977 30 10 IJEE C=CCCCCN(C)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2373243894 LRYKMECTAWEKAA-AWEZNQCLSA-N 425.186 4.861 30 10 IJEE N#Cc1ccc(N[C@]2(C(=O)O)CCCC[C@H]2OCc2ccccc2)c(Br)c1 2377845529 JUWMDXPYPXHKOS-TZIWHRDSSA-N 429.314 4.715 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)c1ccc(OC)c(OC)c1)C2=O 8823874 MTNFSVBNNHXPFP-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 9053145 LJKQMKHKLOOQLA-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc(F)cc4)nn32)cc1 9597410 VKLXYVVXKUOSHB-NRFANRHFSA-N 436.512 4.740 30 10 IJEE C=CCN(CC=C)C(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14651046 MLOGVRMFUKGXEB-UHFFFAOYSA-N 425.392 4.563 30 10 IJEE O=C1/C(=C/NCc2ccccc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 20575746 SEURUFMGLCVJMY-UYRXBGFRSA-N 444.965 4.565 30 10 IJEE CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccc(OC)cc1 23997901 QQXGRRCDGONBIQ-SFHVURJKSA-N 449.580 4.710 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccnc2)cc1 33375324 LSGSXJSCCODEIC-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc2ccccc12 40096893 NJBSGQXXJJRLKV-DEOSSOPVSA-N 443.499 4.989 30 10 IJEE O=C(Cn1c(SC(F)F)nc2ccccc21)Nc1cccc(C#Cc2ccccn2)c1 71839030 UOVVJFQYTYABII-UHFFFAOYSA-N 434.471 4.785 30 10 IJEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CCOc3cccc4ccccc34)C2=O)cc1 96546661 AETJKGXYGVMEKC-AREMUKBSSA-N 430.504 4.641 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1 100222095 GITJGXUBFKIALO-QHCPKHFHSA-N 444.616 4.790 30 10 IJEE CCN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 105535529 FEMWJONGCJAUCS-MRXNPFEDSA-N 440.327 4.795 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 169975577 BWYXJQLKDKWENJ-QHCPKHFHSA-N 445.563 4.605 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@@H]3c3ccccn3)nc2c1 169999850 VERLQVXOCLGPRH-QFIPXVFZSA-N 449.470 4.531 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1F 170072030 UOSMRAVSJWBKKT-FQEVSTJZSA-N 431.891 4.873 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(C)o2)c1 170099566 AZBCJILVSRKLCF-OAQYLSRUSA-N 448.431 4.678 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1C1CCCCC1 170123758 JJQVLCJVBUOFSN-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCN(C)C)c1 170146517 DTFYMSYDTUFZCN-HSZRJFAPSA-N 434.580 4.741 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccs2)cc1 170155039 LYIYOQVNWOUDRK-HXUWFJFHSA-N 429.538 4.540 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccn1 170176231 YVCNJIGYMIMJGK-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)cc1Cl 170198175 LJBCEKLOKNTTOI-LJQANCHMSA-N 440.908 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccncc1)c1ccc(Br)cc1 170209348 YWFLHMOKOORMNP-IBGZPJMESA-N 441.325 4.755 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 170246879 XIGRMHYHTLQKOR-LJQANCHMSA-N 438.436 4.574 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)c1 170274660 HKQAVOVEBSFUEG-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)cc1 170274794 GRUMVZWFEPMIES-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccco1 170287113 ONZWCUPYYMPJEG-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OC)c2)c1 170409444 KLYIKWIBJXRHDE-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC)cc2)cc1 170410074 NERLKQNSCHUDQP-QFIPXVFZSA-N 449.528 4.586 30 10 IJEE Cc1cccc(C(=O)[C@H](C#N)c2ccccc2Br)c1I 235920386 CTTISSABSVDYCA-CYBMUJFWSA-N 440.078 4.852 30 10 IJEE CCOc1ccccc1N=C1SC[C@@H](C)N1C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 254346646 PISBXOSRQKEKKG-OMYRSMHSSA-N 428.598 4.758 30 10 IJEE Cc1c(C#CCCO)cccc1C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 390669409 SLHZDVWNWXAVJR-UHFFFAOYSA-N 440.587 4.551 30 10 IJEE CC[C@@H]1NC(=Nc2ccc(Br)c(I)c2)S[C@@H]1C 395411513 DEJNFBCOAIVTMR-HQJQHLMTSA-N 425.133 4.545 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cc(OC)c(O)c(OC)c1)c1ccc(C(F)(F)F)cc1 441503491 SPLSXKJVWWFSJS-QGZVFWFLSA-N 438.446 4.935 30 10 IJEE C[C@H](NC(=O)NCC1CCC(C#N)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 442385514 ZCYXXJFDUSQCOO-VIQWUECVSA-N 436.531 4.697 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1 442495898 OPGNEKKDDDKQEQ-HSZRJFAPSA-N 435.487 4.901 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCc2ccccc2OC)CC1 509000589 UDZCUOMGDXZVPX-UHFFFAOYSA-N 438.959 4.979 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(OC)c(OC)cc1OC 526809611 JINQTTUBJHPQLI-CFRMEGHHSA-N 440.569 4.658 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 555240211 DUVYIIQNIVWLEL-VZVHPENPSA-N 447.627 4.553 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)c1ccc(OC(F)(F)F)cc1 586213861 FLMWQJVNSVGKRS-UHFFFAOYSA-N 442.459 4.710 30 10 IJEE C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 588705155 DZTPVQWEDQCTPZ-JPYJTQIMSA-N 440.503 4.684 30 10 IJEE CN(C(=O)c1cc(I)cc(C(F)(F)F)c1)c1ccc(C#N)cc1F 609216336 HJWNAPGLOCQRSL-UHFFFAOYSA-N 448.157 4.597 30 10 IJEE CC(C)CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717230 HRUAWVKHGXLWAS-KRWDZBQOSA-N 445.976 4.527 30 10 IJEE C#CCOc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 775952772 QFTHYNNBYPLRIA-UHFFFAOYSA-N 436.537 4.786 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 779916820 GUANWDQMYVULCK-DEOSSOPVSA-N 443.544 4.574 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1 790278527 APPJVOLWQVKECL-HXUWFJFHSA-N 441.528 4.761 30 10 IJEE COc1ccc(CNC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#N 790782066 JRMBGUIYYDJPCE-UHFFFAOYSA-N 445.363 4.946 30 10 IJEE C=C(C)C[C@@H](C)c1nc(-c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2)no1 809389937 XWZHEZQQWPQEBK-MRXNPFEDSA-N 427.549 4.695 30 10 IJEE O=C(CCSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1nc2ccccc2s1 1084352356 VKXYMMDYWNOYBF-ADAPCVGISA-N 449.565 4.646 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccccc2)n1)Nc1ccc(Cl)cc1Cl 1084469520 RGNALNJXGPABDJ-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc2cncc(Br)c2n1 1124829249 FNZQGGHNJYUWMV-UHFFFAOYSA-N 433.265 4.704 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)Cn2cc(C(=O)OC)c3ccccc32)c1 1125778480 LRXXLNNIEJKWNQ-UHFFFAOYSA-N 428.513 4.704 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3cccc(Br)c3C2)CCCN1C(=O)OC(C)(C)C 1127093013 CYEUAEOEOUYDRX-JOCHJYFZSA-N 449.389 4.680 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1127401696 ISAFRYFUQVOICK-OPAMFIHVSA-N 438.490 4.546 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1cc(C)ccc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1128003198 JNTWBLKZONRSCX-RXVVDRJESA-N 429.944 4.605 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)CCCN1C(=O)OC(C)(C)C 1128141739 OVLVPTBUIUPSNT-WSCWJOSJSA-N 448.991 4.974 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](CCOC)Cc3cccc(Br)c3)cc21 1134572898 YRLKOWARCMLGHO-QGZVFWFLSA-N 442.357 4.819 30 10 IJEE C#CCN(C(=O)CCCc1nc(C)cs1)[C@H]1CCOc2ccc(Br)cc21 1146862657 WTLMHIBCMACPHT-KRWDZBQOSA-N 433.371 4.522 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccco1)Cc1ccccc1O 1149858372 YBQJJGVJVTWYLY-HXUWFJFHSA-N 428.529 4.764 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](Nc1ccc(C#N)c(Br)c1F)C1CCCC1 1163179483 PNSWGQZXQOJQJJ-HNNXBMFYSA-N 426.330 4.955 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 1170518683 IFWICQFNLWUWBE-WMZHIEFXSA-N 425.960 4.666 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)c1ccccc1 1188361856 IRBRXEFHYSAXFE-HNNXBMFYSA-N 433.154 4.799 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(F)c(F)c1 1189412681 OTHISBWVDZEBBH-MRXNPFEDSA-N 436.705 4.976 30 10 IJEE C#C[C@H]1COCCN1C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1200287577 WGPJQIBDVMGWCT-AWEZNQCLSA-N 435.705 4.761 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1214572593 JVXZJYKEONNWAR-UHFFFAOYSA-N 431.558 4.528 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1Br)N1CC(F)(F)OC(F)(F)C1 1217134378 ANLBTXCAWITFJJ-UHFFFAOYSA-N 425.098 4.518 30 10 IJEE C=C1CCC(CNC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)CC1 1221936172 YUUIRXWIPWBGHU-XMMPIXPASA-N 440.609 4.842 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3cc(C(F)(F)F)ccc3C2)cc(OC)c1OC 1225350448 KNSYTEDQADWJBH-UHFFFAOYSA-N 434.458 4.719 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 1228138851 RLIPHAVVIWJELT-UHFFFAOYSA-N 425.476 4.816 30 10 IJEE C#C[C@@H](NC(=O)NC1(CNC(=O)OC(C)(C)C)CCCCC1)c1ccc(Cl)cc1F 1230510910 NCJIFMHESUPIIA-GOSISDBHSA-N 437.943 4.680 30 10 IJEE C#CCN(C(=O)c1ccc(C)c2cccnc12)[C@@H]1CCOc2ccc(Br)cc21 1265209383 BGFFXPNOCXIEFL-HXUWFJFHSA-N 435.321 4.905 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1ncc(CC)s1 1286278342 NGQFIVSUXQYICT-HZPDHXFCSA-N 444.004 4.791 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1286317773 IIFMLQPBNPNYNH-JOCHJYFZSA-N 429.524 4.701 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](N2CCCC2)C1 1286318818 WGEFCHAZPWGIKP-RPWUZVMVSA-N 449.643 4.903 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286400687 DTYIVGQQRXSGIS-OYRHEFFESA-N 443.595 4.521 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(O)(CCC)CCC 1286421447 DSVTVACKAQONMT-UHFFFAOYSA-N 443.595 4.596 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1286533918 MAYBSNHYIIHWCU-AEFFLSMTSA-N 446.349 4.921 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1286539656 BQNXQKPTXNLXEJ-UHFFFAOYSA-N 438.782 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2cc(OC)c(OC)cc2C)nnc1C(C)(C)C 1286565066 IQQSPMMOGMJMSV-GCJKJVERSA-N 442.604 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1286665948 GSDKVWXTJHXRKP-GOSISDBHSA-N 434.544 4.771 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CCC)C1)c1ccccc1 1286679211 MBBPZDQIYAZYBJ-ZEQRLZLVSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1286682555 AOKPMWTWMIBSHV-XUVXKRRUSA-N 428.552 4.776 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCC1CCC(OC)CC1 1286717225 SLWDNIVCUXGRRF-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@H]1OC)C1CC1 1286735076 MWHYMZWXWDFTIZ-FXAWDEMLSA-N 445.405 4.986 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1286751320 OYXOPJIEFJZFAS-OTNCWRBYSA-N 446.643 4.998 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286826130 XLCCDICZMQPFAZ-MRXNPFEDSA-N 426.508 4.652 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2(C)CC2)ccc1Cl 1289492253 CSGQBZRRHZCERV-INIZCTEOSA-N 432.973 4.640 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N(C)C1CCC2(CC1)OCCO2 1300341432 HTJUNNULVJDUSL-HSZRJFAPSA-N 436.600 4.745 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1300357917 BHEXXMAHSQHODO-PKTZIBPZSA-N 446.599 4.574 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](CC)N1CCCC1 1300563592 LEGGMMYJJVIDHE-QFIPXVFZSA-N 449.668 4.613 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCO[C@H]1CCCC[C@H]1C 1300650096 SHTFGGVYDUNDDC-OFNKIYASSA-N 426.580 4.851 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCCCC1 1300873513 HFONNVRLUNPJQA-DYESRHJHSA-N 430.980 4.969 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](CN(CC)CC)C1 1300936779 KVWPBERTVOKOCX-MOPGFXCFSA-N 427.662 4.876 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1301149011 UXGINEDBUYASNP-AWEZNQCLSA-N 443.539 4.886 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1301166398 VKSDTAFDRQAMBA-NQIIRXRSSA-N 447.549 4.978 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccccn1 1301206992 MUEQSPLLEFWUIL-UHFFFAOYSA-N 430.325 4.844 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1301208051 MQSZFEMNLABSNR-UHFFFAOYSA-N 435.616 4.658 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@H]1C(=C)C 1301308260 CLGAKTFZTBRBTM-QRWLVFNGSA-N 437.371 4.767 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCN1CCC 1301308693 JFOVQCOAGODTPL-KRWDZBQOSA-N 438.403 4.661 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccco1)N1CCCCC1 1301390609 LIZLVQDKEDLHCO-RBBKRZOGSA-N 425.577 4.518 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)CCc1nccs1 1301600855 KHSOZAMUNMPAAF-UHFFFAOYSA-N 425.583 4.746 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 1301624586 VSINUAKHLFVSPL-QYZOEREBSA-N 449.665 4.894 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)CCOCC1 1302599795 CESWYNQDWQBXEG-GOSISDBHSA-N 439.629 4.601 30 10 IJEE Cc1cc(C)c(-c2cc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)n[nH]2)cc1C 1303180341 HMBYEQQHONBIGN-UHFFFAOYSA-N 431.515 4.868 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCCCCC2)nc1 1304520419 DTHPYPTUMKFDIJ-NRFANRHFSA-N 443.599 4.816 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)cc1C#N 1311270977 CFEKAEXFISIWRZ-LJQANCHMSA-N 438.381 4.865 30 10 IJEE C[C@H]1Oc2ccccc2N(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)C1=O 1347983609 FRENNLHIUGXISM-CABCVRRESA-N 437.565 4.523 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1354035609 DGCZWLGLNHYWMA-SZNDQCEHSA-N 425.356 4.964 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCc2ccc(F)c(Br)c2)cc1OC 1356285008 JXRDTGPBCNXTQL-RMKNXTFCSA-N 434.305 4.534 30 10 IJEE C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@H](C)O1 1357218833 CLGCIEXRGBGZRN-IRXDYDNUSA-N 441.959 4.622 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCCN1CCCC 1358873362 ICTWLOXKLUUVGE-UPVQGACJSA-N 433.644 4.861 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCC(C)CC1 1358875847 XEPYRTLRGZZBDM-PSCUFVCCSA-N 445.405 4.761 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C)nc1 1358969765 WGFKUKJTPDBULY-HXUWFJFHSA-N 447.970 4.513 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(OC)CCCCC1 1358972448 FDZHYCYSGWJFSS-UHFFFAOYSA-N 436.625 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(c3ccc(C)c(C)c3)CC2)nnc1C(C)(C)C 1359105025 IYMJWZKOGUHOQH-GMAHTHKFSA-N 437.632 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(CC)C1 1359107937 YKNAYGRRKOVHPQ-MOPGFXCFSA-N 432.012 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1OC 1359108229 GFLXDSZERWVZSX-UHFFFAOYSA-N 444.377 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nccc(C(F)F)n1 1359115302 SWSWFAUMROIQMP-UHFFFAOYSA-N 437.498 4.529 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]2CCC[C@H]21 1359126827 AFEIKOCADUJDFW-QKNQBKEWSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1359178554 VBJABFPVCVYVBX-NZQKXSOJSA-N 437.632 4.704 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1359258945 HWUIYZSJDFGGEM-JYFHCDHNSA-N 431.584 4.804 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1nc2c(s1)C[C@H](C)CC2 1359260702 LYZGZDUOOCDMFM-MRXNPFEDSA-N 425.577 4.802 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C 1359265665 KBODGZXNXGHXST-YSFYHYPLSA-N 447.693 4.549 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)S[C@@H](C)C1 1359284928 VKYYOMHLOKAXHV-RYUDHWBXSA-N 427.799 4.877 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(OCC2CC2)c1 1359915341 IEJAQKFLUFQFGD-UHFFFAOYSA-N 430.556 4.531 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 1435023936 MTRZDNSJWZBGPC-QGZVFWFLSA-N 432.442 4.648 30 10 IJEE C=CCN(C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)[C@H](Cc1ccccc1)C(=O)OCC 1435899992 MLWBBPSEWGNJLX-GOSISDBHSA-N 441.396 4.786 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CC(C)(C)NC(=O)OCc2ccccc2)C(F)(F)F)cc1 1436239746 SNNMGVZYDIRNRA-HXUWFJFHSA-N 433.426 4.910 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 1440740323 ZSTOYZWBBRHXGI-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE C=CC[C@H](C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)c1ccccc1 1455516842 NKGXYWKXFHDBMM-OKZBNKHCSA-N 426.479 4.508 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)C[C@H]3CSCCN3C(=O)OC(C)(C)C)c2C#N)CC[C@H]1C 1460566230 DDJSPNFHWRSYLO-ILXRZTDVSA-N 449.642 4.987 30 10 IJEE C=C(C)CN(C)C(=O)[C@H](CCSC)NC(=O)OCC1c2ccccc2-c2ccccc21 1461724446 QFJWLDWHFBWTJG-QHCPKHFHSA-N 438.593 4.681 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F)C1CCOCC1 1465591196 KSLPJOWLWLWGPX-MRXNPFEDSA-N 441.450 4.602 30 10 IJEE C[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 1467729956 FOUUIXKSKGGWSK-INIZCTEOSA-N 448.473 4.578 30 10 IJEE C=CC1(CC(=O)Nc2cccc(-c3nnsc3Cl)c2)CN(C(=O)OC(C)(C)C)C1 1470585543 SGEJTEXYSKAQHN-UHFFFAOYSA-N 434.949 4.610 30 10 IJEE C=CCn1c(SC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1-c1ccccc1OC 1472921896 XHUUOPQVQNQINF-DLBZAZTESA-N 444.601 4.925 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc2c1OC(C)(C)CC2=O)c1ccc(Br)cc1 1476956533 RQTOOXUTFWZEFL-INIZCTEOSA-N 427.298 4.689 30 10 IJEE C=CCOc1ccc(CNC(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)cc1 1478615273 KQGFMAQZUDNWLL-UHFFFAOYSA-N 432.923 4.635 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)cc1 1478685608 HUXHKQSKWJPVMX-OAQYLSRUSA-N 441.369 4.768 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)c1ccc(Br)cc1 1478895408 CCLSEPFMYLRXKX-UXHICEINSA-N 443.341 4.687 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1500037107 GGZPZTKNUOSNHR-ZWKOTPCHSA-N 440.592 4.697 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC=C(C(C)(C)C)CC1 1507755735 CJBBSMWRMAOIML-UHFFFAOYSA-N 438.641 4.969 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(CC#N)CC1 1507805314 JGBOPNZUGBCOFD-ZCYQVOJMSA-N 433.600 4.565 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CC=CCC1 1507842861 NKNHCJYZHYCZPH-NRFANRHFSA-N 432.572 4.516 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CCOC)CCCCC2)CC1 1507888540 NOMSRRWCJPMNHK-UHFFFAOYSA-N 449.599 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507976066 YXNWPCXGMURIKM-BGYRXZFFSA-N 432.616 4.872 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(F)CCC1)C1CC1 1507992860 GEHYOHMSQQQKOT-GOSISDBHSA-N 447.599 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@H](F)c1ccc(Br)cc1 1508013257 BSJHOOSMJZKOKP-SFHVURJKSA-N 444.352 4.935 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCCC1 1508032799 HYZIMGOIGAQRCT-UHFFFAOYSA-N 438.547 4.531 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC(CC)CC2)cc1 1508104397 LCNJLQVEBUPJJW-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)cc1 1515902556 PCPBCFNPTHEGTH-UHFFFAOYSA-N 444.553 4.921 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)c1ccccc1 1519373501 GVXGRVBXOXHNDQ-OAQYLSRUSA-N 434.989 4.806 30 10 IJEE C=C(C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1521723951 FCBZGCLRVLMXRK-UHFFFAOYSA-N 426.582 4.625 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC=CCC2)c1 1522466706 VCLIZNKZHXTLAC-LJQANCHMSA-N 430.957 4.560 30 10 IJEE Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 1525026778 DFGPEGWLEFJLRN-UHFFFAOYSA-N 435.299 4.882 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(Br)ccc2Br)cc1 1525154389 CPQGKIMNYYMEBD-UHFFFAOYSA-N 425.120 4.958 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)CCCN1C(=O)OC(C)(C)C 1527041130 UUAPYFOTPWUVMX-QHCPKHFHSA-N 446.498 4.743 30 10 IJEE C#CCN(C(=O)CO[C@@H]1CCCC[C@H]1CC)[C@@H]1CCOc2ccc(Br)cc21 1531554533 VXZRXOLFVDSWCG-NSISKUIASA-N 434.374 4.720 30 10 IJEE C=CCCC1(CNC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CCCC1 1532340661 PSGOABBNLULBTD-UHFFFAOYSA-N 432.476 4.627 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1534974479 BNRCLQHOOKURAK-UHFFFAOYSA-N 445.283 4.771 30 10 IJEE C#C[C@H](NC(=O)c1csc(Cc2ccc(C)cc2)n1)c1ccc(Br)cc1 1535484058 VWWRNUKYOXRUIY-SFHVURJKSA-N 425.351 4.909 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)C(C)(C)C)cc1 1537697758 UMDBJOCQRNRUKH-SFHVURJKSA-N 442.506 4.710 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1539079768 ZQOLKUAYXSLONX-SIKLNZKXSA-N 447.410 4.723 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)cc1 1539198131 RFWUDZVSROCLFD-UHFFFAOYSA-N 433.483 4.762 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CC[C@@H](C)C1 1539399771 SJSKZJBIJDPTDP-MOPGFXCFSA-N 426.630 4.798 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC2(CCC(F)(F)CC2)C1 1539521038 WDGOVADHOHESJB-UHFFFAOYSA-N 448.558 4.780 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1539694834 QNFDPRAKYYLPQU-UHFFFAOYSA-N 444.004 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCCC2)C1 1539909286 JOUDJPZHYUVHNG-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1539959743 QMGKYPSJJSXVGF-UHFFFAOYSA-N 431.584 4.518 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCC1(F)F 1540127007 QACNJGXLACIEGF-HXUWFJFHSA-N 426.515 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CCCO1 1540141083 YYGYGSNYNYVPLA-JOCHJYFZSA-N 439.541 4.677 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCN1CCCC[C@@H]1CC 1540143182 SJURTTOCYJIUJD-NRFANRHFSA-N 436.629 4.859 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC2(CCOCC2)C1)C(C)C 1540151731 LWFLAAXPCUWBLN-QFIPXVFZSA-N 443.680 4.572 30 10 IJEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CC[C@@H](F)C1 1541151742 CMBCMQPZOQQLMV-RTBURBONSA-N 425.552 4.633 30 10 IJEE CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1541404691 FETKWFLOVPOKLA-NZQKXSOJSA-N 442.007 4.713 30 10 IJEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(COC)CC1 1555210774 AGBHBXCKFOGJJK-UHFFFAOYSA-N 439.604 4.522 30 10 IJEE CCCc1c(NC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)cnn1-c1cccc(C#N)c1 1556254635 CCNOKVOZFFLGNC-FQEVSTJZSA-N 429.307 4.675 30 10 IJEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 1557394171 DICRVWQRIGAGSC-AREMUKBSSA-N 439.559 4.526 30 10 IJEE C=CCOc1ccc(CNCC2(COC)CCN(C(=O)OC(C)(C)C)CC2)cc1Cl 1560470065 QCRRHKAREOALEE-UHFFFAOYSA-N 438.996 4.658 30 10 IJEE CN(Cc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1562673194 BBYZUGOLXJINNK-UHFFFAOYSA-N 425.448 4.663 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(SCCN2CCCCC2)cc1 1562983346 GCFDRCYHQRRPKP-UHFFFAOYSA-N 443.613 4.960 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1564429353 VMOJGPKKGXCGSH-NYVOZVTQSA-N 445.604 4.832 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 1564674812 BUIIZRGRONIDLP-QUCCMNQESA-N 435.406 4.975 30 10 IJEE CC(C)[C@@H](CCN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl)NC(=O)OC(C)(C)C 1566136483 HKVNRPXYYRXDRN-MRXNPFEDSA-N 428.360 4.876 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C 1566381724 CJQYABMBHPAVBY-IEBWSBKVSA-N 441.597 4.945 30 10 IJEE C#C[C@@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccc(Br)cc1 1583565279 GDMKUDHFSGTFBR-OAQYLSRUSA-N 433.305 4.550 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCCC[C@@H]3CC(=O)c3ccccc3)C2)c(F)c1 1587483733 HJMHIPYMJUFEAP-FGZHOGPDSA-N 433.527 4.568 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1587604569 WLCUQGOZUXOJFY-BHIFYINESA-N 444.627 4.709 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCCn1ccnc1C 1587940485 XGDGPIQQBGGNKB-UHFFFAOYSA-N 448.571 4.867 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(OC2CCCC2)c1 1588020037 CAOCMCWSGBJJJY-UHFFFAOYSA-N 447.608 4.713 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCS1 1588161925 CFQUGMMEGPZBIG-QFIPXVFZSA-N 436.625 4.513 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC1CCCC1 1588281014 WDXRNUAUPHZYCW-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCCCC2)C1 1589077928 FBUOTTRLDLRWSR-UHFFFAOYSA-N 430.568 4.674 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1593655016 QXUAHVAWCLOHLF-UHFFFAOYSA-N 448.596 4.934 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1593872416 HNCUWYBXSBIVLZ-DOTOQJQBSA-N 440.979 4.613 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CC1 1594128168 MLNFDBSWPDPLQO-UHFFFAOYSA-N 427.499 4.711 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CCCCC1 1594521921 TXXTVZJKGZJABP-UHFFFAOYSA-N 429.634 4.888 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc2cnccc2c1 1594535588 UBJXERXHKIDHID-GOTSBHOMSA-N 449.599 4.789 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(F)ccc2C1 1594687287 LMPHYEVYVPXHFW-UHFFFAOYSA-N 430.325 4.704 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1594803503 VWEBBXMMOXVIFH-KRWDZBQOSA-N 429.515 4.511 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1595084219 IIBLNISUYNOTRX-HKBQPEDESA-N 446.661 4.615 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCCN1CCCC[C@H]1C 1595108689 HXCVHKHNSMBALP-JOCHJYFZSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCC[C@H]1C 1595149889 WYMSHHIIAQIKMW-HOYKHHGWSA-N 438.597 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1595228452 CPKBCNMECBNXSG-UHFFFAOYSA-N 436.600 4.938 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1595296444 FTOZKLREJBMWIA-IRLDBZIGSA-N 443.661 4.719 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C)CCCC2)C1 1595665609 YCTUZCSAPSQQKO-NRFANRHFSA-N 437.588 4.509 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)CCc1ccccc1Br)c1ccc(F)c(F)c1 1622047315 PXFNWSQOSSNAPZ-GOSISDBHSA-N 430.314 4.507 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C 1626553927 LZZCDFWVUFOQEG-QGZVFWFLSA-N 443.357 4.748 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccc(F)cc1Br)[C@H]1CCCc2ccccc21 1626711322 XGQXJSYHTXCVNI-YWZLYKJASA-N 430.317 4.895 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 1628141595 CPMBOXFALKHGNO-OAHLLOKOSA-N 432.870 4.847 30 10 IJEE C=C(CN(C)C)C(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1629814631 DIHPYORFSUTZAB-IBGZPJMESA-N 439.756 4.759 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 1633169993 XNRGWTBDCSHUKN-NSHDSACASA-N 447.771 4.602 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 1634683347 CSZXMSBSRVSYRE-UHFFFAOYSA-N 442.625 4.502 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12)C1CCOCC1 1637128598 PWQJVFVOGCEYQC-AREMUKBSSA-N 442.559 4.989 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 1640397349 MYKMJFLGKMACRI-VGOFRKELSA-N 430.545 4.800 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)ccc2c1=O 1640916751 HQKCWOVVKONVMC-IBGZPJMESA-N 443.931 4.545 30 10 IJEE N#Cc1cn(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c(=O)c2ccccc12 1641295420 DSTNWBQSMYZODN-UHFFFAOYSA-N 429.863 4.958 30 10 IJEE CCOC(=O)c1c(NC(=O)CSc2nc3c(c(C)c2C#N)CCC3)sc(C)c1CC 1643545242 FITFXDWGLSALSR-UHFFFAOYSA-N 443.594 4.590 30 10 IJEE C=CCCC[C@@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)C(=O)OC 1644822522 FQRPCMZDLMIXKH-OAHLLOKOSA-N 438.952 4.894 30 10 IJEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)C(C)C 1645136164 NXPSWCVJALYWDZ-UHFFFAOYSA-N 432.545 4.638 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1 1645812815 UCWOTBFJWKTZQV-UHFFFAOYSA-N 444.375 4.908 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1 1647763199 XWXXSASEEVTVCG-NRFANRHFSA-N 449.555 4.917 30 10 IJEE N#Cc1ccc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(F)c1Br 1651586151 SGUZPNBIPUSKPO-QFIPXVFZSA-N 428.349 4.952 30 10 IJEE C#CCCOc1ccc(CNCc2cc(Cl)ccc2I)cc1 1658277736 HCTYWQIGZKTTDJ-UHFFFAOYSA-N 425.697 4.637 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1OC 1660610837 PVXUGVPEGBMJGQ-KRWDZBQOSA-N 443.975 4.630 30 10 IJEE C=CCC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1665595619 OWYAQYNZRZDAKG-XZOQPEGZSA-N 441.641 4.597 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3c(-c4ccccc4)cccc32)cc1 1667323093 ZHCSZRPKYQGBEY-UHFFFAOYSA-N 447.560 4.755 30 10 IJEE Cc1ccc(CS(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 1668266724 AGHZEEPAFGWLNG-OAHLLOKOSA-N 429.357 4.876 30 10 IJEE C#CCOc1ccccc1NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1668939392 YOFFPTIYWLTJOY-JOCHJYFZSA-N 431.561 4.681 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 1668996376 IPEMCQNVVZNNJI-IBGZPJMESA-N 439.487 4.994 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)C1 1669069874 ZNQVZRXMHXSHME-INIZCTEOSA-N 434.508 4.759 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 1669464756 GVGAFZSHLWFZSE-UHFFFAOYSA-N 443.853 4.852 30 10 IJEE COc1ccc(NC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc1C#N 1672501465 BWUQQFUBIBKAAH-UHFFFAOYSA-N 433.430 4.909 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)C[C@@H]1OCCc2ccccc21 1672707987 BNUAZHMSOMMIEQ-FQEVSTJZSA-N 431.330 4.792 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)c(I)c1)c1ccccc1 1673122729 SYSYLIKSXDKSIJ-OAHLLOKOSA-N 444.194 4.806 30 10 IJEE C=C(C)c1cccc(NC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)c1 1673605417 WJBXETLTFMOUKY-FQEVSTJZSA-N 429.561 4.647 30 10 IJEE C#CC[C@@H](COC)NC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675302613 VJRIGXYYMACENQ-LPHOPBHVSA-N 444.362 4.944 30 10 IJEE C#CCN(C(=O)NCC1(c2ccccc2)CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1676076006 XPMJFPMPQHGSPY-UHFFFAOYSA-N 439.600 4.543 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1)c1ccc(Br)cc1 1679227966 OWOWPHRIZWRODF-OXQOHEQNSA-N 444.373 4.831 30 10 IJEE C[C@@H](C#N)CN(C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)C1CC1 1680841432 ABDQKPGXSYAIHF-AWEZNQCLSA-N 441.329 4.857 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 1681778907 HRFGUTAVACSEHX-YJYMSZOUSA-N 445.293 4.628 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(CCOC)CC1 1689831163 GHYYGTOYJLDHMT-LJQANCHMSA-N 431.584 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCS1 1689838145 UBISHBYKYVLZSK-GXTWGEPZSA-N 439.810 4.715 30 10 IJEE C#CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(CC)[C@H](C)C1 1689919255 HWDBJZMDZFRWNY-GOSISDBHSA-N 437.588 4.757 30 10 IJEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690025090 DQKUNRMNIAKXRG-VQTJNVASSA-N 439.485 4.648 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCC1(F)F 1690089808 NCWABYJIAWQODJ-WOJBJXKFSA-N 446.517 4.777 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)CC(C)(C)C1 1690159875 PIOJCGXGPFKRQH-SFHVURJKSA-N 434.613 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1F 1690241435 SEHFOEMVKNXXQY-NQIIRXRSSA-N 441.938 4.750 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690363729 AEPCZOLYSYDZJM-QRVBRYPASA-N 428.552 4.917 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1690462288 CWWFUCZTOIGUNU-UXHICEINSA-N 447.624 4.617 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCCN1CCCCC1 1690560643 XNGZUMDFESUMBT-UHFFFAOYSA-N 432.616 4.876 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)s1 1690571734 HNLYRARKPFLWCC-MRXNPFEDSA-N 432.952 4.877 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1CC1(C)COC1 1690579210 IOHNQQFKELOFBE-UHFFFAOYSA-N 428.989 4.813 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C 1690603548 DEFAKKVGKKGGGU-VXKWHMMOSA-N 426.605 4.816 30 10 IJEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CCSC)CCOCC1 1694477184 GDHSQLCFMUAQAO-GOSISDBHSA-N 427.618 4.601 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C1CCC1 1696646718 DTMBFDKDRXEHSQ-XXBNENTESA-N 437.588 4.559 30 10 IJEE CO[C@](C)(Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1697097144 GHGRZRWABCSPBS-UOKFIYJESA-N 441.551 4.502 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H](CC(C)C)N(C)C 1705619173 JFRCBDAFIJYFLK-JOCHJYFZSA-N 437.563 4.602 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC1(SC)CC1 1705619629 XBBGEJLFIMCJDY-UHFFFAOYSA-N 441.963 4.668 30 10 IJEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1ccsc1 1705664292 YSDQJDVDPLJBDR-OAQYLSRUSA-N 438.622 4.669 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1705703998 XXTNXPUAQPIAHC-ZJSXRUAMSA-N 433.600 4.889 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1705732320 VLVSMPAAGPAMKN-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2ccnc2C)CC1 1705762797 IWPJFYRLEIIRHP-GOSISDBHSA-N 440.979 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC(F)(F)C2)CC1 1705779218 ZRMULJOZSQGBQW-QGZVFWFLSA-N 432.515 4.800 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1)c1ccccc1 1705797964 HPLVITLZDPEDRN-TUACAJSNSA-N 438.616 4.611 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@H](C)c1ccc(F)cc1 1705880377 CZZNPXCNSMWYLA-SFHVURJKSA-N 432.503 4.506 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1[C@@H]1C[C@H]1C 1705882463 XXAIYQWXDRMVEK-MLGOLLRUSA-N 425.758 4.581 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705942426 RUKPBENLBJFEDO-UHFFFAOYSA-N 433.581 4.918 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705948858 HIZSQCVXNYNVMW-UXHICEINSA-N 445.702 4.717 30 10 IJEE CCO[C@@H](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C#N)CC1)C(C)C 1710407655 GORMVCJJWNCTSK-QFIPXVFZSA-N 448.571 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnn(CC(C)C)c1C 1722274871 AJJPQPOBEXHSPO-KNQAVFIVSA-N 448.615 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](OC)C(C)(C)C 1722304564 ZPCSDRDPCLWCFT-KBXCAEBGSA-N 439.387 4.683 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722311204 SRUDEJOYQDGVQS-XMMPIXPASA-N 449.643 4.707 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1722325316 HTLYOHIFPHAUJU-PXNSSMCTSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1C(C)C 1722495904 ULZQIAOLZAOIHU-NMNUPHIUSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1OC 1722516511 ACRISZLCDYTTHZ-IFMALSPDSA-N 426.605 4.850 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1722551722 CBASDALIOKQZGR-REWPJTCUSA-N 437.975 4.621 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(OC(C)C)nc2)CC1 1722579146 KWTXINKZIYUJLC-UHFFFAOYSA-N 447.583 4.533 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1722613746 OKVXVTLUBKTIPG-SFHVURJKSA-N 440.617 4.582 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccsc1Br 1722643423 NFJRRSOOGHENSO-UHFFFAOYSA-N 447.402 4.968 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccccc2C)C1 1722690962 NABONLCZPXYVNH-FPOVZHCZSA-N 437.588 4.838 30 10 IJEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(C)(C)C2)CCS1 1723235019 DHCMNWNGDGWPKG-OAQYLSRUSA-N 439.629 4.743 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1726670583 GNSQULNTAPCOJV-RTWAWAEBSA-N 434.632 4.954 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1727707985 AUTQWQKZNNZLJS-MJGOQNOKSA-N 447.505 4.537 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)CCC1 1730648339 BJWOVEFCQMFQLT-WOJBJXKFSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1740537586 WTSAMNDHPHUSNA-AQNXPRMDSA-N 428.024 4.815 30 10 IJEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1740586752 MGWJICVOOUGEQJ-INIZCTEOSA-N 437.569 4.612 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1740721388 HIJRFEVGKAGYNN-SIKLNZKXSA-N 438.641 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1740752061 RZPJPOAEFHPUTN-ZTCOLXNVSA-N 448.615 4.654 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccccc2OCC(F)(F)F)CC1 1740825958 VNDYNELIJWJHKD-IBGZPJMESA-N 436.478 4.666 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC(C)(C)O)CC1 1740836227 ROFOXPSEOFTXJU-UHFFFAOYSA-N 433.394 4.579 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CCSC(F)(F)F)CC1 1740841474 OMWXGHFYVIWMAQ-UHFFFAOYSA-N 435.519 4.937 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740868616 OIMLEZIBUQTQCS-MJGOQNOKSA-N 445.995 4.533 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1740871337 ARAJHGZCGQDARY-LJQANCHMSA-N 427.911 4.677 30 10 IJEE C=CCCCn1c(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1740881985 WJBMJYVLGLZLHI-UHFFFAOYSA-N 429.996 4.548 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(CC)s1 1740898303 JXXMHWSGLJTCBX-KRWDZBQOSA-N 445.633 4.687 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 1741005372 WZMRECGMFYTNAL-SFHVURJKSA-N 449.665 4.896 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCSC1(C)C 1748868216 TXTYOUQKNCJGDQ-RBUKOAKNSA-N 440.588 4.552 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1748945339 QSOLLXVHXBIMCP-NHCUHLMSSA-N 439.623 4.766 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)S[C@@H](C)C1 1749091627 BEIFWBQKJTWOKB-GJZGRUSLSA-N 444.402 4.732 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2COCCC)CC1 1749305048 MRXPKYCBHZQQAZ-UHFFFAOYSA-N 437.613 4.765 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCSC(F)(F)F)CC1 1749311547 RQYVRTBCSHERBG-UHFFFAOYSA-N 426.508 4.829 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H](C)N2CCCCC2)CC1 1749315881 AXFQBOXETOGUHI-BHDDXSALSA-N 429.653 4.618 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cc(C)no2)CC1 1749330871 QJNRDBQGLVTGHE-UHFFFAOYSA-N 446.324 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1cccs1 1749531156 CVQYJLOKUMWMER-XMMPIXPASA-N 433.581 4.579 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1749606429 XGJGAGOVFJHKPY-PZJWPPBQSA-N 444.023 4.939 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2(CC)CC2)C1 1749703251 FFDKLEWNMCSHCK-INIZCTEOSA-N 431.378 4.679 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(SCC)c2)C1 1749706307 OIPFQUVMKYJFOC-HXUWFJFHSA-N 435.597 4.590 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1749762560 YBAIUPZCLAOLGF-XXBNENTESA-N 449.624 4.779 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CCCN(C)C1CCCCC1 1750069107 GGDSGHLKDKJKIO-SFHVURJKSA-N 429.012 4.849 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(F)cn1 1751098517 IERICBQCMYUSRO-CQSZACIVSA-N 430.940 4.545 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1760143198 YRTUWXMLTNJITP-JOCHJYFZSA-N 431.005 4.644 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCCOC(C)C 1760228364 CNLAUYRJFHQZER-UHFFFAOYSA-N 433.394 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1nc(C(F)(F)F)cs1 1760338598 NIIAINAMJVUWIR-UHFFFAOYSA-N 439.482 4.934 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760347832 BCGSKJDHFNIWKO-NRFANRHFSA-N 441.595 4.665 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN(C)c1ccccc1 1760380468 CZMNREHDRUZCDY-WOJBJXKFSA-N 432.012 4.522 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCCC2(C)C)CC1 1760396703 IEUQVYXRRFWNMG-IQGLISFBSA-N 442.579 4.901 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H]2CCO[C@H](C)C2)CC1 1760401763 BRVAWVDWIDYJOE-MJGOQNOKSA-N 430.543 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760408620 PXYLMXJUBRMGEA-HNNXBMFYSA-N 425.499 4.522 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(CSC)cc1 1760454950 VVODMMAEEJHQPA-UHFFFAOYSA-N 432.391 4.569 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760466688 FIIQDCWHFYRYIQ-OYRHEFFESA-N 425.621 4.544 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(F)(F)Br)C1CC1 1760477282 VYZHGBYIWDXWNK-UHFFFAOYSA-N 431.712 4.665 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCc1nc(C)c(C)s1 1760480926 IZEGTKNJXXZJMF-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@@H](O)C1 1760486879 CMBVTEOAVMWVMM-IFMALSPDSA-N 436.625 4.983 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2ccc(F)cc2)CC1 1772555363 IDLXMNPPQIGCQD-DFBJGRDBSA-N 442.579 4.664 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1ccc(C(=O)O)cc1 1772762876 YRLCRZKFUJOYOZ-SKCGTWTRSA-N 431.311 4.771 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(OCC)cc1 1861370300 XSZIKYKMVZURMM-XMMPIXPASA-N 440.584 4.609 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C(C)C)c1 1862525396 BDZKENWJKLBVAK-IBGZPJMESA-N 444.325 4.835 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 1862567863 CALCOELEZFGREW-XMMPIXPASA-N 442.515 4.754 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc2cc[nH]c2c1 1862572910 PETDYBCDIKUAPW-JOCHJYFZSA-N 434.492 4.564 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(O)c1 1862652449 ITZYADYBJYXWLZ-WNSKOXEYSA-N 431.488 4.931 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862678585 OXLMYMKAJSDNPB-RFVSGWPVSA-N 437.467 4.681 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(OC)c2)cc1 1862687486 LSMKTFWJEYHACR-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(O)c1 1862713898 ZJRMRMRLTRJMCK-HSZRJFAPSA-N 431.488 4.550 30 10 IJEE N#Cc1cc(Br)c(NC(=O)CCCOc2ccccc2)c(Br)c1 1865932821 KCMLOZOGOPMLQV-UHFFFAOYSA-N 438.119 4.881 30 10 IJEE C[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccccc1C#N)C1CCCC1 1867021164 KWXDABKUHROILN-WZONZLPQSA-N 435.593 4.741 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@H](C)N(CCCOC)[C@@H](C)C2)nc(-c2ccccc2C)n1 1869149706 WVFDXASVHWOIFT-GOTSBHOMSA-N 449.643 4.566 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)cc1 1871364263 NNMADAUEJDQFMN-HAHDFKILSA-N 430.456 4.994 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cc(OC)ccc1OC)C2=O 1871427001 IGPIMUGJMNHQQD-HMAPJEAMSA-N 440.492 4.741 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871758039 DAAHJRNMLQFNGC-QFIPXVFZSA-N 428.598 4.986 30 10 IJEE Cc1nc(SCc2ccc(C(=O)NCCCCN3CCCC3)cc2)c(C#N)c(C)c1C 1872895181 GMHBISKOCLSLTB-UHFFFAOYSA-N 436.625 4.777 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(C2CCN(C)CC2)C1=O 1873159203 JKRCTSWBDQJCSF-UHFFFAOYSA-N 425.617 4.591 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203332 KLKLXSUTPOGEPT-UHFFFAOYSA-N 427.504 4.643 30 10 IJEE CCCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cccc(Br)c2)C1=O 1873225549 JFCOSUJFPIMRKN-UHFFFAOYSA-N 438.325 4.703 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874340938 XVDNXDWSGFBFSX-MAKCPWPFSA-N 427.618 4.684 30 10 IJEE Oc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874383379 NDAWRDBXCYLXRY-AFUMVMLFSA-N 434.496 4.876 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1O 1874426568 PAXFRVFKDNTMDM-AFUMVMLFSA-N 434.496 4.973 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2)nc2ccccc12 1874456322 LUVSNLXQILWOKS-ZVHZXABRSA-N 430.537 4.759 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2C)cc1C 1874458408 KWNBPDMCPBYUNL-OPEKNORGSA-N 447.486 4.835 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(F)(F)F)c1 1874463363 FPLJZSJMKYKZMS-OPEKNORGSA-N 447.486 4.835 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)(C)C)cc1 1874483198 JKAPGMOUXDEFSH-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(=O)OC)cc1 1874529192 WOVFSHGGUPJLIM-FOKLQQMPSA-N 432.908 4.594 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1cccc(C)c1 1874575268 DYHQXTOSYFLFEP-SDNWHVSQSA-N 446.459 4.825 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(F)c(F)c1 1874698470 YFCZQYKDPYXCIK-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE COc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)cc1 1875157975 YNNGVEHYWTVVTC-YIXHJXPBSA-N 436.435 4.967 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 1875160889 ODJOEBVNHKBPSS-RMKNXTFCSA-N 441.480 4.739 30 10 IJEE COCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1Br 1875193027 PHCYLQACCPVOIM-ZZXKWVIFSA-N 439.689 4.559 30 10 IJEE CC#CC[C@@H](COc1ncc(Br)cc1C(F)(F)F)NC(=O)OC(C)(C)C 1903151046 DGGXIAMNBSJKAC-LBPRGKRZSA-N 437.256 4.548 30 10 IJEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 1912188436 NZHSMALSFWIFHV-IIBYNOLFSA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1993731751 ZSAGVCYSOGBGKU-PJIJBLCYSA-N 435.487 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)O1)NCCC 2009296869 ZUQDGUVTOZNLTE-WWNPGLIZSA-N 432.605 4.542 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)ccc(Cl)c1F 2041170004 QNOQMGZITQWDPX-BBRMVZONSA-N 433.749 4.809 30 10 IJEE C#CC[C@H](C[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC)C1CC1 2076098687 KONWQQZBVDHTAD-RPBOFIJWSA-N 441.660 4.821 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441443 CWEBBWAAMMISFZ-JSGCOSHPSA-N 426.330 4.955 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2110499961 FLQWGKCPXWVBGV-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)c(F)c2)NC)C1 2126684526 IRADDQTXOPQUAS-QGZVFWFLSA-N 427.358 4.580 30 10 IJEE CC[C@@H]1CCN(Cc2ccc(Br)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2174563744 AMMKNUYBRUVJBV-BEFAXECRSA-N 436.394 4.836 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)ccc2c1 2180953084 SJWOMMQWTQBIOF-GOSISDBHSA-N 431.330 4.848 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Br 2181054072 STFIWDBKZNFQAS-INIZCTEOSA-N 438.366 4.931 30 10 IJEE CC1(C)OB(c2csc(CN3CC[C@]3(C)CCOCc3ccccc3)c2)OC1(C)C 2214523378 NCKHBEPXPQKETP-XMMPIXPASA-N 427.419 4.619 30 10 IJEE C#CC[C@@H](CC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237418102 FZEKUHZSVMSOCN-PKOBYXMFSA-N 434.374 4.894 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]1(C)C=CCCN1C(=O)OC(C)(C)C 2239435375 DYPTXEUPSLUIPF-UGKGYDQZSA-N 433.390 4.734 30 10 IJEE CC1(C)OB(c2ccc(F)cc2C(=O)N(Cc2ccccc2)Cc2ccco2)OC1(C)C 2266982141 ODMYHCYKTZQZRP-UHFFFAOYSA-N 435.304 4.561 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)c2ccccc2)c1 2281812210 PSEKJPBNQPPGPC-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@H](O)C#CC1CCCCC1 2289619342 HYAXIVWOVSXHIA-VQTJNVASSA-N 436.390 4.830 30 10 IJEE COc1cc(C=C2SC(=Nc3cc(C)cc(C)c3)NC2=O)cc(Br)c1OC 2294025305 BSLBFZDXPNGGFF-UHFFFAOYSA-N 447.354 4.975 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)C1CCCC1 2296294962 ZEJMZALHDSLVAB-LJQANCHMSA-N 435.406 4.958 30 10 IJEE O=C(C=CNc1ccccc1I)c1ccc(Br)cc1 2297318810 LRWGNFWWOCHGGI-UHFFFAOYSA-N 428.067 4.862 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)NC1CCCCC1 2324194871 CRICMBSBXDGEDF-UHFFFAOYSA-N 425.500 4.948 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccccc1F 2326255093 WRPHBHCBCGXSIP-UHFFFAOYSA-N 440.544 4.988 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(F)cc1F 2326846148 AOXXSVVPGIIENA-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc([N+](=O)[O-])c1 2327117253 GQQXGKNEZYJTGF-UHFFFAOYSA-N 439.541 4.891 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1F 2330290064 NQZHLQXBUXCTLU-UHFFFAOYSA-N 432.565 4.714 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)c1 2330710821 PWYIRLWJGQDCPF-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2330777857 YRROOXOBWAAUJN-UHFFFAOYSA-N 449.967 4.895 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2)o1 2330839688 NAYVTYVDWPJXHP-UHFFFAOYSA-N 426.542 4.811 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 2331325060 DLJLBTRNWKRMGS-NRFANRHFSA-N 439.464 4.591 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1sccc1C 2331500101 ASIIARFAOQUJAA-UHFFFAOYSA-N 425.583 4.837 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)[C@H]1CCCO1 2331533392 SFKQBLMRKGFPIT-GOSISDBHSA-N 449.272 4.577 30 10 IJEE CCOc1cc(C=NNc2oc(-c3cccs3)nc2C#N)cc(Br)c1O 2331938220 QVMDUFXHNXUOED-UHFFFAOYSA-N 433.287 4.588 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]21 2339585676 SIYXIEGNNGCKDC-HOJAQTOUSA-N 441.381 4.536 30 10 IJEE C[C@H]1[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339601790 BAKRUIKEEKSDNR-QZASHXROSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(C#N)cc2Br)CC[C@@H](C)CC1 2362547537 AOROJPFBLCIMRE-UWELNFAVSA-N 436.350 4.733 30 10 IJEE Cc1cc(CN(C)C[C@@H]2CCCCN2Cc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369737474 KJSDHGURCXLOST-SANMLTNESA-N 448.460 4.781 30 10 IJEE COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3sccc3C#N)[C@@H]2c2ccccc2)cc1 9223349 UOVZOKVQSFMPPM-UNMCSNQZSA-N 431.517 4.751 30 10 IJEE O=S(=O)(NN=Cc1cccc(OCc2c(F)cccc2Cl)c1)c1ccc(F)cc1 17100796 WEJRHXOCYXPLFG-UHFFFAOYSA-N 436.867 4.510 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@H]2c1ccc(O)c(O)c1 19647742 HYIBLXOXMUHTEU-NRFANRHFSA-N 448.548 4.640 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1OC 20882949 ILZWRKYFIABHPG-CTNGQTDRSA-N 449.547 4.885 30 10 IJEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCc2ccc(Br)cc2)n[nH]1 20905167 FPPRJGNZEKGDNU-AWQFTUOYSA-N 448.394 4.700 30 10 IJEE COc1ccc(OC)c([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c1 33321208 RDCNYYGMDFXXCQ-FATZIPQQSA-N 432.476 4.664 30 10 IJEE C/C(=N/Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 33910614 CAXFFMMKGMVUFC-KSEXSDGBSA-N 434.334 4.544 30 10 IJEE COc1ccccc1[C@@H](C#N)NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 78454768 PVAUZJPMAQDICL-HXUWFJFHSA-N 443.334 4.728 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCN(CC)CC2)C1=O 170076964 HDVVFEOPHZMQMH-UHFFFAOYSA-N 439.644 4.853 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(O)c2)cc1 170081827 XRSFFGVOHLREDS-QHCPKHFHSA-N 436.423 4.793 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(N(CC)CC)cc1 170138923 AGBGZNPVPWULEM-IBGZPJMESA-N 427.570 4.594 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccn1 170181817 PGFHENLOAOEHID-QHCPKHFHSA-N 430.504 4.628 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccncc1 170204723 AXHMQGNAFUIDCS-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc2ccccc12 170220451 XCZWVBNNNFBMMO-VWLOTQADSA-N 441.527 4.943 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265855 YUMHWCDSDZWVBH-CVDCTZTESA-N 431.488 4.753 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2C)c(C)c1 170272679 SQGBIODLOPLIDN-XMMPIXPASA-N 438.483 4.967 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)cc1 170274797 XFEMSIJZNSJEOR-XMMPIXPASA-N 442.515 4.957 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(Cl)c3)[C@H]2c2ccco2)cc1 170284609 QHBXALDVCFGTOG-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@@H]3c3ccco3)oc12 170289904 CVIMBIMDQLSYIV-OAQYLSRUSA-N 440.411 4.689 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170359877 JBLPHLFVYHVHLP-QFIPXVFZSA-N 448.544 4.996 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccncc1 170367086 VLSZIARETSKJKI-LJQANCHMSA-N 442.805 4.502 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)ccc1O 170414538 NNDUTDXRSWSAIG-JOCHJYFZSA-N 449.528 4.939 30 10 IJEE CSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Br)cc2)o1 254821329 KFJPLPHMVIGOLK-UHFFFAOYSA-N 443.273 4.754 30 10 IJEE N#Cc1cc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)nc2ccc([N+](=O)[O-])cc12 301426170 UDNRCYFAZKODJR-OAHLLOKOSA-N 444.426 4.588 30 10 IJEE C=CCN(C[C@H](Cc1ccc(OC)c(Br)c1)NCCC)C(=O)OC(C)(C)C 406762870 KRENMBKFXLYPLN-KRWDZBQOSA-N 441.410 4.792 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)cnn1CCC 406922732 JTQHKGHCFZQUJF-HOTGVXAUSA-N 429.403 4.566 30 10 IJEE C=CCn1c(SCc2cncn2Cc2ccccc2)nc2sc3c(c2c1=O)CCC3 445599314 HJOHURIIDLIURC-UHFFFAOYSA-N 434.590 4.670 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 508482277 XPLNYOSZDAFAGB-UHFFFAOYSA-N 435.616 4.684 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526487933 BKBZRGGWFSGYRM-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])s2)c1 526488484 JQOPGEBPBHDMTM-FQEVSTJZSA-N 433.445 4.594 30 10 IJEE COc1cc(Br)cc(/C=N\n2cnnc2SCc2ccc(C)cc2)c1OC 526803845 QZDCHACWYRXZMN-YVNNLAQVSA-N 447.358 4.541 30 10 IJEE COc1ccc(Br)cc1/C=N\n1c(C)nnc1SCc1ccc(C)cc1 526804462 VAOPKIKDVSXOLI-NHDPSOOVSA-N 431.359 4.841 30 10 IJEE CCCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(=O)OCC)o2)cc1 526829791 AFFUFCKVZCSZQP-OYKKKHCWSA-N 442.541 4.791 30 10 IJEE C=CCN(C(=O)CSCCN(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 535254207 BOJJQHNJIQWSHC-UHFFFAOYSA-N 430.426 4.931 30 10 IJEE CCN1C(=O)CCc2cc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)ccc21 546047046 BEAGPAJYHKELPM-HNNXBMFYSA-N 436.581 4.627 30 10 IJEE O=C(NCC#CCOc1cccc(Br)c1)NC(c1ccccc1)c1ccccc1 585254380 DTHGREJUGRUCDT-UHFFFAOYSA-N 449.348 4.920 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 611782174 BRJHLPAILLWJAN-UHFFFAOYSA-N 434.487 4.722 30 10 IJEE Cc1cc2nc(C)c(CCC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c(C)n2n1 739595037 CUUOYKXUYIUGSU-UHFFFAOYSA-N 429.549 4.504 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 799212113 RQOILCURHWGFCJ-LJQANCHMSA-N 425.941 4.550 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 916211752 PINNAEWBOGNTNF-QGZVFWFLSA-N 433.455 4.852 30 10 IJEE COc1ccc(C(=NN(C)C)[C@H](c2ccc(OC)cc2)[C@H]2OC(=O)c3ccccc32)cc1 1088659294 MZHQVBWZGDKTKN-ZCYQVOJMSA-N 430.504 4.665 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OC(F)F)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1131261449 IIWPEZWTYPBUJN-NRFANRHFSA-N 426.460 4.581 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)cc1OC 1131612761 RTLMDTSRZLGIJY-ACCUITESSA-N 444.572 4.617 30 10 IJEE C#CCCOc1ccc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)c3ccccc32)cc1 1133317275 UFOAMXDOXLBKTE-FQEVSTJZSA-N 434.536 4.748 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 1133391668 QRIHSCZOXAVIHF-UHFFFAOYSA-N 427.010 4.627 30 10 IJEE CCCOc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(OC2CCCC2)c1 1135331752 BGJNVCRFZNTLAV-UHFFFAOYSA-N 447.579 4.626 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 1136302745 WJQZKGSXXNEBII-INIZCTEOSA-N 439.940 4.847 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 1136522536 QUYOIVMMMINEPV-UHFFFAOYSA-N 428.319 4.942 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 1158669116 ALCRKBVVELFPMX-WBBHLRKXSA-N 435.545 4.929 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)[C@@H](Sc3ccccc3F)c3ccccc3)n[nH]2)c1 1161913735 HFERERGHWBCQQW-FQEVSTJZSA-N 429.480 4.955 30 10 IJEE Cc1c(C#N)c(NC(=O)Cn2ccnc2[C@H](O)C2CCCCC2)n(C2CCCCC2)c1C 1166500248 BINBKQDWLZCEIY-HSZRJFAPSA-N 437.588 4.931 30 10 IJEE C=CCN(CCOc1ccc(/C=C\C(=O)OC)cc1)Cc1cc(Br)ccc1F 1167291183 IFPNAEJBWVMBNE-WDZFZDKYSA-N 448.332 4.841 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCc3ccc(C)cc32)cc1 1190965313 FTUHRZFPYNCZJT-UHFFFAOYSA-N 428.536 4.674 30 10 IJEE C#CCN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCOc2ccc(Br)cc21 1191039286 OPYAQCZWDZALHE-SFHVURJKSA-N 447.279 4.881 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c1 1214523638 FLTPLAMZLIVVLU-UHFFFAOYSA-N 426.339 4.799 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(F)cc(I)cc1F)c1ccc(Cl)cc1 1219121396 BMZROLRBGHMIEO-CQSZACIVSA-N 446.622 4.719 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1221909318 FGJGFOBUTUJKRW-JOCHJYFZSA-N 429.605 4.900 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1cnc(SC2CCCC2)nc1 1229190998 IUSGPUBIUCUQMG-UHFFFAOYSA-N 442.633 4.619 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1)c1ccc(Br)cc1 1252459295 QCBITKPDKQTQJR-AEFFLSMTSA-N 429.362 4.559 30 10 IJEE C=CCCCCNC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 1270033429 LVGNBIPSTHQBOR-UHFFFAOYSA-N 426.582 4.893 30 10 IJEE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1 1280387274 IARRGEDBYRPUQF-UHFFFAOYSA-N 439.581 4.568 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCc2ccccc21 1286306370 SVLKXYSIJKGLBO-VCOUNFBDSA-N 449.599 4.538 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286423402 LGNIMHAIVUYTMA-LAUBAEHRSA-N 443.378 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1c(C)noc1C 1286551186 GTAPKKFCRWHJAV-NQIIRXRSSA-N 441.963 4.821 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)c1ccccc1 1286615085 FVHWNEFTZVADEV-OAHLLOKOSA-N 442.489 4.877 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2cccs2)CC1 1286652742 KAHZSKHJVKMAKM-UHFFFAOYSA-N 435.597 4.854 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286686438 HNGMWYAUYBCXPF-RTWAWAEBSA-N 432.515 4.732 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCCOC(F)(F)F 1286741275 FOYIZAXRLXZNGG-IBGZPJMESA-N 449.477 4.510 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1)C(C)C 1286752116 RCUHXULWLFBNIP-ZEQRLZLVSA-N 433.644 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCC[C@H]1CC 1286755276 SDQHJHVWPBBVQP-OAQYLSRUSA-N 432.616 4.880 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2ccccc2Cl)s1 1292069101 RTEYURDPQFDZJB-CYBMUJFWSA-N 443.356 4.833 30 10 IJEE C=CC[C@@H](CO)CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1295808050 BETRYPCYZCYIPJ-CYBMUJFWSA-N 438.380 4.676 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N[C@H](CCO)c3cccc(C(F)(F)F)c3)o2)cc1 1298312698 HXHSYTZOQJQJFU-HXUWFJFHSA-N 444.409 4.603 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(C)C)c1 1298349042 NGWRJOKZWZJRSY-QHCPKHFHSA-N 431.985 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1300275579 WQAOENFDYHWDHS-QPPBQGQZSA-N 442.611 4.712 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccco1)N(CC)CC 1300572408 UJKOKQUGVVGSGH-JOCHJYFZSA-N 449.986 4.738 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H]1OC 1300595790 QPSGHFRWPYWDHJ-RXVVDRJESA-N 443.016 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@](C)(O)CCC 1300798416 OQSYNMUFIUUYSF-CLJLJLNGSA-N 438.616 4.913 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@H](C)C1CCC1 1300873912 ISVQRDREYMNCMR-PBEJRMEISA-N 429.996 4.990 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1301109624 NALGAMMKBPTMQQ-SZMVWBNQSA-N 430.515 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301155089 HBPQWMAYOQZBJM-JOCHJYFZSA-N 431.584 4.718 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C)CCc1nccs1 1301211823 NFURGWXPLMEHFH-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301238682 CFVVINATIUHKRE-VXKWHMMOSA-N 426.605 4.664 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC[C@H]1CCO[C@@H](C)C1 1301279287 ZWGHGGJBBIKSOC-HOTGVXAUSA-N 449.393 4.544 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](COC)OC)C1CC1 1301316523 MBVZOKOYSMAQFW-OAHLLOKOSA-N 432.977 4.629 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CCOc1ccc(Cl)cn1 1301383997 LWCGVDOGADPFOX-UHFFFAOYSA-N 430.339 4.904 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)CC1 1301611747 GXYWQUPIEPRCHT-IBGZPJMESA-N 449.665 4.548 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)cc1OCC 1308358656 MHBUBDSRBSJRIM-SZVBFZGTSA-N 444.460 4.882 30 10 IJEE C=CCOc1c(Cl)cc(CN2Cc3ccccc3OC3(CCOCC3)C2)cc1OC 1308938664 GQJCMWBROZPKHY-UHFFFAOYSA-N 429.944 4.857 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1 1310138326 GTQGAEMEHIGGIK-UHFFFAOYSA-N 435.886 4.712 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(-c2nc(C)no2)cc1 1310862907 AILSTZGGJSTLIV-UHFFFAOYSA-N 443.301 4.694 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1312614847 DNGOFLJNOGFNRB-NEWSRXKRSA-N 426.479 4.548 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCc3cnc(-c4ccccc4)s3)n2)c(Cl)c1 1320857715 NPDKMFGUZZSRRJ-UHFFFAOYSA-N 434.912 4.843 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)CCc2ccccc2F)c(C(=O)OCC)c1C 1349733392 GOKDQIBLXVTBKB-AWEZNQCLSA-N 447.528 4.923 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 1349911206 OIKAWZWYTIDEKR-INIZCTEOSA-N 441.405 4.785 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350012658 NQCAIGOEHNAAHB-NRFANRHFSA-N 448.504 4.739 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3c(CCCC)oc4ccccc34)cc2C1=O 1353484212 CHFVGNXOWHSHAL-UHFFFAOYSA-N 430.504 4.830 30 10 IJEE C=CCOc1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1 1354446504 UOLVMUKYPUWQEK-DEOSSOPVSA-N 432.589 4.771 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOc1ccc(C)cc1 1358941922 BYLYVNVOUQTNQW-LJQANCHMSA-N 434.609 4.978 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCS1 1359015904 IXBIAXFUTBUBPT-LJQANCHMSA-N 441.963 4.668 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CC(=C)C 1359052286 ZRTBZKLYJMVHDG-UHFFFAOYSA-N 433.419 4.785 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1359121291 HEUCXRJJWFEDKV-HNAYVOBHSA-N 431.378 4.982 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1Cc2ccc(Br)cc2C1 1359132357 VLDSAKVQUMNEDG-UHFFFAOYSA-N 431.378 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nccc(C(F)F)n1 1359234134 FMAHXGVBBRPBDK-UHFFFAOYSA-N 430.528 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC[C@H](C)N1CCCCC1 1359263498 CULLNJBBJCPQIV-SFTDATJTSA-N 443.661 4.691 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(OC)CC1 1359310397 VFJDLTDCHNUJAR-RCZVLFRGSA-N 440.588 4.528 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CC(C)C)C1 1359311411 ZXLRUTMDOINYBA-QFIPXVFZSA-N 448.615 4.625 30 10 IJEE Cn1c(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc2cc(Br)cnc21 1435263529 CATCVHBYADQQOS-UHFFFAOYSA-N 448.280 4.647 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)c(OCC)c(OC)c1)c1ccc(Cl)cc1F 1436651541 AEQOTWJQXSCYQE-INIZCTEOSA-N 440.696 4.753 30 10 IJEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)sc2ccc(C#N)cc12 1447751047 BMSQMQCAPGXMNT-GOSISDBHSA-N 427.570 4.799 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 1451969035 DYRUGSMKFKWQKC-NVXWUHKLSA-N 439.478 4.593 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)cc1OC 1453281593 BKLVNIHOVSEERS-VKXNWWILSA-N 449.547 4.741 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nnn(-c2cccc(Br)c2)c1C)c1ccc(F)c(F)c1 1459189893 ZTZZNSHTJREOBN-GOSISDBHSA-N 447.283 4.664 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Sc3ccc(OC)cc3)c(Cl)c2)C1=O 1465429113 KEULQJFYTGFVFF-LJQANCHMSA-N 445.972 4.750 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1OC 1468362202 TYNIIMJKROQMHZ-WOJBJXKFSA-N 448.567 4.834 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)OC)c(F)cc1Br 1476197338 AGXCGSXXDUJJGZ-CQSZACIVSA-N 435.293 4.684 30 10 IJEE C#Cc1ccc(NC(=O)N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)c(Cl)c1 1477147279 PXDOMWYHPIIEJW-UHFFFAOYSA-N 441.959 4.923 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)Cc2cccs2)C[C@H](C)O1 1499696260 GJYIIOIMJGDUMV-LVCYWYKZSA-N 435.597 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=C)Br 1507518276 KZFQUUCMGLGMKN-MRXNPFEDSA-N 438.373 4.719 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)CC1 1507555699 AVVFPAXGZNXSQB-IBGZPJMESA-N 442.007 4.550 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1507576498 XDOMBCLZGFUFBG-DHIUTWEWSA-N 435.616 4.513 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](c1cccnc1)C(C)C 1507697978 GVHZBGUZYVAQRR-QFIPXVFZSA-N 437.975 4.805 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507703242 RXDVJWAXPLZHQP-LDVJMBRRSA-N 436.600 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1507817373 ITBNAXUPIKELCC-VWPQPMDRSA-N 443.661 4.719 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](CC)C1 1507840598 NJGMHQBNGWLJQT-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507856824 DYGWUKWZTOSAFA-PMACEKPBSA-N 444.023 4.704 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nnc(C(C)(C)C)s1 1507968685 XUKMPIRWIAFAMQ-QGZVFWFLSA-N 440.617 4.854 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1507973246 WVSNDYVOMLYTJB-QZTJIDSGSA-N 433.547 4.537 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC(C)(C)c1ccccn1 1508001211 MHQRBSPNEIXACW-JOCHJYFZSA-N 442.567 4.567 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC1CCN(Cc2ccccc2)CC1 1508018473 TZTXZBZXJGQROG-UHFFFAOYSA-N 442.611 4.739 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1Cc1ncccc1N(C)C 1508025260 PPQSICKWWYVDAA-UHFFFAOYSA-N 430.600 4.680 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCCC[C@@H]2C)C1 1508118422 VKKOYIOSEBKZOV-XUZZJYLKSA-N 437.632 4.553 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1517408217 CUSBWYJHGGQPEW-FCHUYYIVSA-N 434.632 4.810 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)cc(Br)c1 1519432328 POKPAONDRMUHEP-UHFFFAOYSA-N 434.131 4.912 30 10 IJEE C=CC[C@@H](C(=O)NCc1ccc(I)cc1Cl)c1ccccc1 1524281561 KLEAFFWTKYSJLA-MRXNPFEDSA-N 425.697 4.921 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1)c1ccccc1 1526566268 YNMCYUVRFOQXFS-QHCPKHFHSA-N 437.499 4.661 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](OC)c2ccc(Br)s2)cc1 1526772942 AHNFRXUBJPCPIM-GOSISDBHSA-N 449.370 4.651 30 10 IJEE C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1526992260 GINHVVCVJIJIAG-CQSZACIVSA-N 438.281 4.914 30 10 IJEE C#C[C@@H](NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)c1ccc(Cl)cc1F 1528108754 NEDZABBQJJBBHU-HXUWFJFHSA-N 426.875 4.536 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CC)[C@H]2C)c1 1529575814 SWZUNXYBTRDAMA-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE C#CC[C@@H](COC)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1530733054 AAANUYCLAXXXEG-AWEZNQCLSA-N 438.427 4.533 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)cc1 1535483631 OWRGFQGYLCTZCP-INIZCTEOSA-N 442.294 4.585 30 10 IJEE CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 1537676591 COKABCMQLCAKBZ-UHFFFAOYSA-N 427.504 4.870 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1OCCC1(C)C 1538976742 PLIBTCWXTZAIDF-MBSDFSHPSA-N 431.584 4.626 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1539085707 QFWABHUVOIYPKX-FGZHOGPDSA-N 442.991 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN(C)c2ccccc2)CC1 1539885143 WSQQWZSGRIHURF-UHFFFAOYSA-N 430.600 4.968 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC=C(Br)C1)c1ccccc1 1539939609 JGRKPMACRDEIRL-RBUKOAKNSA-N 443.389 4.631 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCCO1)c1ccccc1 1539949504 YMLIFLJLGWOKFL-ISKFKSNPSA-N 431.584 4.629 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1nc2c(s1)CCCC2 1540049009 FPFHXOAEOLCXEG-MRXNPFEDSA-N 441.576 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCN1CCCC[C@H]1CC 1540143185 SJURTTOCYJIUJD-OAQYLSRUSA-N 436.629 4.859 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1540174125 HMYHFFBFKYDISN-NRFANRHFSA-N 443.636 4.836 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 1543967917 FEPGYXOCXKOSSE-IIBYNOLFSA-N 443.906 4.686 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)CCOc3cccc(Br)c3)n2)c(Cl)c1 1546092089 HAQRWNMFNOBGCX-UHFFFAOYSA-N 445.704 4.567 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1cc(Cl)ccc1I 1560532302 YWBLIECUIJDKLN-UHFFFAOYSA-N 446.115 4.900 30 10 IJEE N#Cc1sc(NC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)nc1Cl 1562924539 FVIQREGBRUVUFO-ZDUSSCGKSA-N 439.766 4.964 30 10 IJEE C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1564547012 DRZNLCFKNADIGX-CYFREDJKSA-N 430.552 4.627 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 1564681058 GRHNGXZNNUDMGL-FXAWDEMLSA-N 430.321 4.938 30 10 IJEE C#CCN(C(=O)NCc1cc(NC(=O)OC(C)(C)C)ccn1)[C@H]1CCCc2ccccc21 1565369726 SEDJBEVJCRIDGH-QFIPXVFZSA-N 434.540 4.651 30 10 IJEE N#C[C@@H]1CCC[C@H](OC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1583559157 GCYLOCRQHZJCKU-YPMHNXCESA-N 425.325 4.808 30 10 IJEE N#Cc1cc(F)cc(C2(C(=O)Nc3cnc(-c4cccc(C(F)(F)F)c4)cn3)CC2)c1 1584966646 FIYKNADTRIWBBO-UHFFFAOYSA-N 426.373 4.843 30 10 IJEE C#CCCCCCC(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1585080237 QRDWJFAGHKENCL-RTWAWAEBSA-N 440.584 4.727 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1587773483 LGOOIZGLALIHHI-HYBUGGRVSA-N 429.568 4.664 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1587883712 JVWRLFFFTPVUTG-NQIIRXRSSA-N 433.383 4.599 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC1(C)C 1589028143 ZSFCNTRVBBEFFL-UHFFFAOYSA-N 437.382 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC(C)C 1589171411 FKIJTIIQQQVIMU-MHECFPHRSA-N 426.630 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(CCC)C1 1589178265 VXAPNOZUDOFLPY-JIPXPUAJSA-N 433.644 4.967 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CCNc1ncc(Cl)cc1Cl 1589192436 ULZGFBAQHQAGOE-JOCHJYFZSA-N 441.366 4.751 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C1CCCCC1 1589560203 YEBJLLYDOSBFLU-SQJMNOBHSA-N 438.616 4.822 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1589657367 AYIMMQWVNRPZCJ-IBGZPJMESA-N 442.604 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 1594077330 KLIZQZQEIJXVNF-UHFFFAOYSA-N 448.571 4.835 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCC[C@H]2C)CC1 1594241528 TVDGNEITRSEFGV-LJQANCHMSA-N 443.586 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCCN(CC(F)(F)F)CC1 1594478285 OUSFCVVTBOYEQQ-UHFFFAOYSA-N 439.501 4.761 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](CC)C1 1594572677 IJWLQSSCAYCWRU-IBGZPJMESA-N 444.649 4.529 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C(C)C)N1CCCC1 1595115145 FDFZXEHHHYZLJP-RPWUZVMVSA-N 437.632 4.833 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1cc(F)cc(OC)c1 1595166156 QAHUAMMNRAXYTC-HXUWFJFHSA-N 428.533 4.580 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCN1CC 1595239809 SWQCPCVZQKMHNW-BJKOFHAPSA-N 437.632 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC(F)(F)C1 1595261937 XHGTYIBRSCKGOJ-SFHVURJKSA-N 427.499 4.527 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccc(Cl)cc1 1596953524 FOENHBNPRHBQBM-WOJBJXKFSA-N 437.754 4.511 30 10 IJEE C=CC1(CC(=O)Nc2cccc(Nc3nc(C)cs3)c2)CN(C(=O)OC(C)(C)C)C1 1597051884 PPKYYKZCYMJESH-UHFFFAOYSA-N 428.558 4.947 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccnn2C)CC1 1598165596 DQKNQZPYDMJUKE-UHFFFAOYSA-N 431.588 4.616 30 10 IJEE C=CCCC1(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CCCC1 1617474095 BWDONWDUMBJRKM-UHFFFAOYSA-N 446.547 4.748 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)C1CCOCC1 1618323134 RMOFHSZANBMRIB-LJQANCHMSA-N 446.378 4.606 30 10 IJEE C[C@@](CO)(NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1cccc(C(F)(F)F)c1 1624210302 DFYFAQUQCKWPOB-KRWDZBQOSA-N 447.335 4.505 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1624431193 CXJVUDQUHQEHBP-HSZRJFAPSA-N 435.955 4.672 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12 1627479174 LLLHDQNYATZSOY-UKRRQHHQSA-N 449.349 4.530 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1627845209 KRQPZUJAOKXBEM-SFHVURJKSA-N 440.499 4.564 30 10 IJEE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1628900577 HZZDBYGSJGFMCV-RXFWQSSRSA-N 443.522 4.669 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 1628931017 SRRRGXFPKRRWAC-UHFFFAOYSA-N 442.478 4.838 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccncc1 1631877521 HPXQLEIGGZDANQ-FKBYEOEOSA-N 442.604 4.910 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)C(C)C 1632734285 FONQFKVLBZGLAL-ODAXIHTASA-N 447.664 4.617 30 10 IJEE CC1(C)CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 1632918270 HITYCNQSLFNZEH-UHFFFAOYSA-N 439.559 4.874 30 10 IJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1637455590 UMZUIIABIDISJB-SFHVURJKSA-N 439.369 4.692 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@H]1CCc2ccccc21 1644411032 SXEXHZRBJXIOMG-VWLOTQADSA-N 441.506 4.639 30 10 IJEE CCOC(=O)c1sc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nc1C 1651990728 GCAIGVPHHNJIKJ-GFCCVEGCSA-N 435.596 4.611 30 10 IJEE C[C@@H]1CCC[C@@H](N(CC(=O)N(CCC#N)CCC#N)Cc2c(F)cccc2Cl)[C@@H]1C 1653673800 FSOQDDMGMZCKHJ-JBYIUTFZSA-N 432.971 4.762 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 1653882040 FWCQSAWQYLPTAR-IBGZPJMESA-N 437.334 4.670 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1 1654407253 DNRMUSGJKSASCH-SFHVURJKSA-N 433.474 4.703 30 10 IJEE C=CCn1c(SCC(=O)N(C2CCC(C)CC2)C2CC2)nc2sc(C)c(C)c2c1=O 1656058055 JYDYKYHZHFZNKM-UHFFFAOYSA-N 445.654 4.923 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccc(CC)o2)cc1 1658321215 SEURAQQXNHJTLR-UWJYYQICSA-N 445.585 4.654 30 10 IJEE C#C[C@H](NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12)C1CCOCC1 1660321397 MTJCNWUQJNBJMV-IBGZPJMESA-N 431.433 4.677 30 10 IJEE O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1C[C@H]1c1cccc(F)c1 1661109672 BAFHNWKFWOBOME-ARFHVFGLSA-N 441.368 4.923 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(c3ccccc3)C[C@H](O)C2)cc1OCC 1663282545 JNKRAEFMTLWNFY-UILWBTOOSA-N 446.385 4.595 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 1666747608 DNNJEROXFZISBE-ZDUSSCGKSA-N 440.372 4.579 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1)[C@H]1CCCO1 1671891044 CIOBEDHHHUDFMH-IAGOWNOFSA-N 449.498 4.932 30 10 IJEE C=CCOc1cccc(NC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C)c1 1673782456 IPKAYLOKKLIURO-SFHVURJKSA-N 429.561 4.895 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C)c1ccc(Cl)cc1 1677474677 GZVMBQXOJWEUFX-MRXNPFEDSA-N 425.337 4.672 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1)[C@H]1CCCc2ccccc21 1678719023 WZMCVVMIHMIDQI-BWKNWUBXSA-N 432.564 4.633 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)cc1 1681090588 MFGPUHIZYMPYBW-GOSISDBHSA-N 437.297 4.849 30 10 IJEE C#Cc1cccc(CNC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)c1 1683157039 RMBPDIOIAKWXEU-JIPXPUAJSA-N 442.559 4.553 30 10 IJEE C#C[C@H](NC(=O)N(CCC)[C@@H](C)CC(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1686922657 MYJQTDIZKJWPGJ-KKSFZXQISA-N 429.923 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1689855424 VWBOOBHRVFUMST-RRFJBIMHSA-N 426.433 4.899 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1689874837 CGBIMWSZGKJPQZ-IBGZPJMESA-N 431.625 4.821 30 10 IJEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC(C)C)C1CCCC1 1689893168 VZUHSAYIPKALBN-UHFFFAOYSA-N 449.647 4.661 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1689938574 PNOGLUQZIIQFIK-IRLDBZIGSA-N 426.630 4.998 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1c(C)cccc1C 1689950975 IMHMZPGAPIRDMD-KRWDZBQOSA-N 434.609 4.897 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1CCOC1 1690059759 XITBBPWQSRZKRB-OALUTQOASA-N 430.980 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1690235608 BOBXJMBNYJHIFN-LTMIRXACSA-N 442.604 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1690241432 SDJAPOBXFAFAGU-UFYCRDLUSA-N 445.489 4.577 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1690441786 GSJAEAFAWDXVJH-VJBWXMMDSA-N 438.616 4.907 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(c2nccs2)CC1 1690454858 AFFSSOKKKBTBJQ-UHFFFAOYSA-N 444.008 4.523 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1690472588 QUYOUBRFGRTGDG-OALUTQOASA-N 437.519 4.576 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCCC(C)C)CC1 1690477559 BYYURMTUNQIRQC-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(C(=O)N(C)C)CCCC1)C1CC1 1690537790 SXEZQJVPNKQFMI-JOCHJYFZSA-N 435.616 4.623 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1690576041 LHTIPAFSUVYHNP-UXHICEINSA-N 436.629 4.715 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C)C1 1690743818 FYUBHLZRGKZXKY-SFHVURJKSA-N 449.665 4.548 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1Cc1cccs1 1705529077 CGDCOPNUBFYPLM-SFHVURJKSA-N 436.581 4.649 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)C[C@H](C)C1 1705654524 LKBNKJHQDJJGDZ-BZSNNMDCSA-N 428.671 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)c1cccs1 1705673910 RJGDAAQKIBUWOT-YADHBBJMSA-N 426.973 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1cccnc1OCCCC 1705675134 GJOZDVFEXBCISI-HHHXNRCGSA-N 443.595 4.792 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCC[C@@H](C)C1 1705711425 LEGMRUOLANYYNN-WOJBJXKFSA-N 429.584 4.692 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(-n2cccn2)cc1 1705720772 QPPISZOPJICIRU-DHIUTWEWSA-N 448.615 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1C(F)(F)F 1705787635 YHZPQKUXZMTRPY-UHFFFAOYSA-N 449.521 4.772 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1705812142 RQVBLFGLYFIWSZ-ICSRJNTNSA-N 428.552 4.776 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCc1nccs1 1705848360 IGLAQAGTFJAGDT-UHFFFAOYSA-N 438.384 4.875 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705870703 OLYKOHKWXMOVQO-NZQKXSOJSA-N 428.964 4.505 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ncc(CC)s1 1705887970 VCKSXDIHMPFRTD-UHFFFAOYSA-N 436.354 4.688 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2Cc2ccc(C(C)(C)O)cc2)n1 1707587290 BDEDHMCDUUQFGQ-UHFFFAOYSA-N 446.599 4.690 30 10 IJEE CCc1cnc(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@H](C)C#N)s1 1708968283 BNJDZOFMUHJTPB-HUUCEWRRSA-N 440.642 4.794 30 10 IJEE CCCc1nc(C)c(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCC(C#N)CC2)o1 1709539300 FYRAZGUVEWCXCH-OAQYLSRUSA-N 432.572 4.857 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(CCOCC)CCCC1 1722289729 RYPXTHXXHRYMJV-HXUWFJFHSA-N 433.600 4.882 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1csc(-c2ccco2)n1 1722299042 KZCXBEGGKDWONH-SFHVURJKSA-N 447.564 4.697 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722406044 JWQSUOVZTWYEKU-LJQANCHMSA-N 445.995 4.607 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](CC(C)C)C1 1722455685 UZYHPQGPNPSIPM-KRWDZBQOSA-N 434.556 4.785 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1C)c1ccccc1 1722596119 CLIDQAKZLRSNMG-UYAOXDASSA-N 435.597 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722676428 ZVJJLPGGJCAWFW-IBGZPJMESA-N 443.617 4.508 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)C1(C)C 1728918291 BRRSOJQUJFUXNO-NJDAHSKKSA-N 439.604 4.518 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCCC1(C)C 1740540386 JJKZNWKJRDTCFS-BCHFMIIMSA-N 448.567 4.516 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)c2ccccc2)CC1 1740571811 VWNQJZWIJWKQJF-UHFFFAOYSA-N 428.584 4.557 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCN1CCCC[C@@H]1C 1740603270 LROXSGIJHQZSGG-PMACEKPBSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1740673245 MLUWZSAZMVUDSV-FYYLOGMGSA-N 447.652 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1 1740732426 CMXAIGVQENTJTR-OPAMFIHVSA-N 425.989 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC=C(C)CC1 1740768252 UVKXMQDSCGLPES-AVRDEDQJSA-N 428.964 4.648 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740843958 UQXVWLFBCPFGCT-PMACEKPBSA-N 429.653 4.869 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)NC(C)C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1740855209 FEOSFZWIZBSRGY-SJORKVTESA-N 429.531 4.893 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCN1CCC(C)CC1)C1CC1 1740909117 YBQLHOAKRTXQTC-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CC(C)(C)c1ccc(F)cc1 1740937820 PRJKUZMBLFKFJO-IBGZPJMESA-N 438.547 4.727 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@H](OCCC)CC1 1740969266 LSMGKRKHCKCWOK-QFIPXVFZSA-N 447.583 4.739 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CCCCC2)C1 1740972580 KBEAIYSLJCYUOA-GCJKJVERSA-N 428.552 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCCC2(F)F)C1 1740983558 KSMFHKLBNZVUSW-CTNGQTDRSA-N 446.542 4.772 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC(OC(C)C)CC1 1740999142 YGTASFXHLHEJQO-UHFFFAOYSA-N 437.613 4.806 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C#N)CC1 1745491661 HBCSUYSXSRVTNC-XMMPIXPASA-N 434.632 4.902 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCOC1CCCCC1 1748641994 LTOFQZSUQXOZJM-MOPGFXCFSA-N 428.552 4.755 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1748718103 NZJMSNLPCSTIDD-NRFANRHFSA-N 433.600 4.528 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1nccs1 1748777426 LUFUBZOHTTZOTN-UHFFFAOYSA-N 437.569 4.971 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748834776 WGUAKQZHFNECOS-TZIWHRDSSA-N 439.003 4.901 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(OC)cc1 1748914265 HOZGBXDDUQDSCR-GOSISDBHSA-N 434.609 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cc(C)no1 1749059713 CQIYEDXVTGUPQD-RUZDIDTESA-N 433.556 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC1CCCC1 1749124364 MYYOQPWTEWXRQS-REWPJTCUSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1749335532 SBXWKTRCZDPANJ-UHFFFAOYSA-N 431.437 4.949 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn2ccsc2n1 1749384176 UEPCSTXBIMDISQ-UHFFFAOYSA-N 431.569 4.757 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 1749384941 JUIFQNBCPHBWMJ-JOCHJYFZSA-N 443.586 4.758 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](c1cccs1)N(C)C 1749467741 ZYPSRKNQWIWOLT-QGZVFWFLSA-N 446.418 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)C 1749578890 HQOMHEMCMBMXJC-CJFMBICVSA-N 433.600 4.980 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cc(C(CC)CC)no1 1760162772 GGOLXRLAMRCNKV-MRXNPFEDSA-N 425.508 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC)CC1 1760316154 MWTTUEOPYOPGBG-LPHOPBHVSA-N 448.409 4.643 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 1760392814 BCEVUCUPXUNCEA-UHFFFAOYSA-N 430.021 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760410019 QTRUEZDAIKYRCT-CRAIPNDOSA-N 433.478 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCc2ccccc21 1760415114 ONSRYSSCQRNHDK-FQEVSTJZSA-N 449.624 4.996 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1760420130 JLPJTUZPLGEMIP-DNQXCXABSA-N 445.611 4.875 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCCN(C(C)C)CC1 1760422321 KUYTUYCUEHVBJO-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1760429007 NQZCQRYSEADAKG-PKOBYXMFSA-N 445.633 4.636 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)(C)C)CC1 1760433050 YLVKABDCGSDKRX-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1760507149 KJCOUBAPAVXWLK-LJQANCHMSA-N 430.455 4.511 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1760560607 ZRNBDACAQBYIDD-DEOSSOPVSA-N 432.597 4.851 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2cccnc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1771543999 HHKPWXAEQYULFC-RBUKOAKNSA-N 432.494 4.688 30 10 IJEE CCCCCCCCn1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)c(=O)cc1C(=O)O 1857890130 JLPTZINLDQARIH-MRXNPFEDSA-N 448.947 4.966 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2)cc1 1862390130 WECZMPQDEFLSKP-DEOSSOPVSA-N 434.580 4.949 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@H](C)CC)cc1OC 1862510152 XVMBTUBMIGBEHO-IVZQSRNASA-N 441.499 4.918 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862519494 LNWINMRKIYFBKQ-HSZRJFAPSA-N 436.552 4.776 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)c1 1862525246 YBNJIPXZHHYLSB-IBGZPJMESA-N 444.325 4.692 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 1862556554 ZPWXEPKGZPQFDA-DEOSSOPVSA-N 442.515 4.618 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2cccc(F)c2)cc1 1862556568 ZWMOTUPSDZXFLF-HSZRJFAPSA-N 430.479 4.537 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862572911 PETDYBCDIKUAPW-QFIPXVFZSA-N 434.492 4.564 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1c(F)cccc1Cl 1862574613 RNZUZWFYXBNTMF-HXUWFJFHSA-N 447.890 4.875 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862603033 PNNPSSUPIPKWLC-XMMPIXPASA-N 443.499 4.958 30 10 IJEE CCc1ccc(-c2nc(CC(=O)N[C@@](C)(CC)C(=O)Nc3ccc(C#N)cc3)c(C)o2)cc1 1867180740 VXIHWKLVGSBGMJ-SANMLTNESA-N 444.535 4.550 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@@H](c3ccccc3)C2)nc(-c2cccnc2)n1 1868572193 HKUDHZPPLIPWGM-HSZRJFAPSA-N 434.503 4.732 30 10 IJEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870809854 YVBUNOIMAUNJOF-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870809877 ZVUGGAPZFINLKU-UHFFFAOYSA-N 449.526 4.674 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CNc1ccc(Cl)cc1C 1871002375 DPJVSBNZJPTLCF-UHFFFAOYSA-N 442.899 4.567 30 10 IJEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871085275 LQQKCBGHDPDWRO-UHFFFAOYSA-N 433.552 4.560 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(Cc1nc3ccccc3[nH]1)CO2 1871349693 YDHLIHDIMPHVSF-JMIUGGIZSA-N 429.501 4.901 30 10 IJEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871390473 YHNKRGMTNCRDMR-XKZIYDEJSA-N 443.455 4.787 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871874230 PGXQELOGRQMCSF-IIBYNOLFSA-N 436.524 4.585 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)C1CC1 1872170976 DGXAQJWADFNJPZ-JOCHJYFZSA-N 436.618 4.589 30 10 IJEE CCOc1cc(/C=N/Nc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)ccc1OC(C)C 1873525411 BRNMMWZENNTYRI-DHRITJCHSA-N 440.931 4.826 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(N(CCC)CCCC)ncnc21 1873659496 UUOKHBHPCWLHKL-UHFFFAOYSA-N 431.544 4.762 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(O)c(OC)c1 1874244663 GWHXJRXPPYUWBV-MFKUBSTISA-N 438.597 4.912 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874340466 LYSSJXZZTLKBEW-GGPGUOJZSA-N 440.400 4.694 30 10 IJEE OCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)c(Cl)c1 1874369671 LOVDPMYDIBBVJU-UFFVCSGVSA-N 427.744 4.872 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCCc1ccccc1 1874413298 MHRZVTGIMWFBKF-LFVJCYFKSA-N 448.573 4.846 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(F)cc1 1874507164 OOYIIGFVHXSCML-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2-c2cccs2)ccc1OCc1ccccc1F 1874558966 LQONGCLQDTVBQI-FSJBWODESA-N 440.525 4.904 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OCc1ccc(F)cc1 1874559701 IRXZQGZZGIMQOB-YSURURNPSA-N 440.422 4.585 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 1874570674 CVPBRTBNVQXKGW-HZHRSRAPSA-N 439.541 4.666 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(-c3ccc(F)cc3)ns2)c1 1891509370 JJBHHKIWUCKAIG-UHFFFAOYSA-N 437.540 4.608 30 10 IJEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1903272066 KTNMGOUQLLSKQF-IQUTYRLHSA-N 435.487 4.714 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)c1csc(CCNC(=O)OC(C)(C)C)n1 1922120047 QUBODOOTDONVPQ-OAQYLSRUSA-N 431.602 4.634 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1C#N 2010516955 OBQACLJHEILJOA-LJQANCHMSA-N 443.931 4.650 30 10 IJEE Cc1c(NC(=O)CCCOCc2ccccc2)ccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2082815683 RILPYALNOZFJHA-UHFFFAOYSA-N 443.780 4.883 30 10 IJEE C#CCN(C[C@H](Cc1ccc(Cl)cc1Br)NCCC)C(=O)OC(C)(C)C 2088509917 ODECMZAXYJFBTN-KRWDZBQOSA-N 443.813 4.884 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1ccc(C#N)c(Br)c1F 2118150715 HMVXBGKMTBKDJR-IUODEOHRSA-N 426.330 4.542 30 10 IJEE CC(C)Cn1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)nn1 2149353828 LWYZRBOSOJALSW-QGZVFWFLSA-N 434.338 4.703 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 2159126570 WLKUCNPLSNBZBR-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC1(C)OB(c2cnc(N3CCC[C@H]3c3cccs3)c(Br)c2)OC1(C)C 2172775616 DZDWBTILLIIAFT-HNNXBMFYSA-N 435.196 4.546 30 10 IJEE CC(C)N[C@@](C#N)(COc1cccc(OCc2ccccc2)c1)C1(Br)CC1 2206669539 WTPAVLKKDCBEAM-QFIPXVFZSA-N 429.358 4.832 30 10 IJEE CCN[C@H](C#CC(C)(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2213312494 AVHLBQMEPQZOEP-ATIYNZHBSA-N 428.617 4.858 30 10 IJEE C=CCC(C)(C)OC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229126160 CFEYBBJNRCNJPP-INIZCTEOSA-N 426.351 4.783 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235719761 BHHUDVFBFXTOSR-IEBWSBKVSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2235734515 XJGFCPALGWOIKA-JKSUJKDBSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@@H](O)C#Cc1ccccc1Br 2235741306 SUVFKKVLGGAMRQ-PMACEKPBSA-N 428.326 4.528 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2235745204 BJGRRSMAZOWJKF-WSTZPKSXSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2c(F)cccc2C#N)CCN(Cc2ccccc2)CC1 2254532061 PNCBGZOUZXOCBH-UHFFFAOYSA-N 438.547 4.669 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(C#N)(Nc1ccc(Br)cc1)C2 2270392781 WVUDXCSHOXWQLN-HZPDHXFCSA-N 438.391 4.638 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C(F)(F)CN(C)C(=O)OC(C)(C)C 2295305090 DOWFCINYVIOPRX-KRWDZBQOSA-N 445.348 4.671 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@H](N)C#Cc1cccc(Br)c1 2296221693 KVCKAMLTSWHENS-AZUAARDMSA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 2296277476 SQFZKZIOFZSRAK-YZGWKJHDSA-N 433.390 4.638 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC 2296289412 RJZUGJFSKGJBMA-AQNXPRMDSA-N 435.406 4.814 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](C#Cc2ccc(Br)cc2)NC)C1 2296293476 JZIYXYQXPKLBFG-LSTHTHJFSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C 2296301331 SPXVMEMLINAUHB-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 2296310280 HUHAGCSPXNFLLG-NSISKUIASA-N 435.406 4.672 30 10 IJEE C=CCC[C@@H](C)[S@@](=N)(=O)c1cc(I)ccc1Br 2300851505 LRAJSDUEQITYQX-VVVCHXIZSA-N 428.133 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@@]1(C)CC 2315224713 GGNNWUPLLQMRKI-DQEYMECFSA-N 447.572 4.799 30 10 IJEE O=C(Oc1ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1)c1ccccc1 2321990972 VVKBRCGNIFSTFK-UHFFFAOYSA-N 434.908 4.989 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1 2321993791 DILJILFESBXTIL-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccccc2)cc(Br)cc1OC 2322549272 RDFQSPAJCDWVCQ-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2323790701 CXAYAAFIUBJDHN-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2324969623 VSRTVIJFECNMHJ-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE O=C(C=Cc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1F 2325623093 NGASPIBCKNDVPA-UHFFFAOYSA-N 445.231 4.805 30 10 IJEE Cc1ccccc1C=C1Oc2cc(O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2325628036 BQIXTMLGKVWHRE-INIZCTEOSA-N 444.443 4.925 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2cccc(F)c2)cc1OC 2325888824 KRKKCAOPXUIFMR-UHFFFAOYSA-N 428.533 4.604 30 10 IJEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c(Br)c1 2326540964 KPEHTWNDFOKIKX-UHFFFAOYSA-N 437.750 4.883 30 10 IJEE N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2326688952 YWADZYLCKBDCMG-UHFFFAOYSA-N 425.517 4.621 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1OCC 2326823784 UMDRLMZSEKPTEY-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1N=Cc1cc(Br)ccc1F 2330408050 FRCIWRXCHVIZND-UHFFFAOYSA-N 437.363 4.992 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2F)cc1 2331188516 NVXUKJAZHFZQCV-UHFFFAOYSA-N 441.419 4.899 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1c(Cl)cccc1Cl 2331421584 APPFOXSEWQVIJU-UHFFFAOYSA-N 442.416 4.626 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccccc2Cl)o1 2331451116 OQXWLYCDRONKOV-UHFFFAOYSA-N 432.933 4.684 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339578249 DTUFUIHCXXMKAJ-XMMPIXPASA-N 444.381 4.798 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2360197502 NPAWFPZVZIENQC-YAJHFMINSA-N 435.406 4.670 30 10 IJEE CC[C@@H](N[C@H]1CN(Cc2ccccc2)CC1(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845150 YODNVMYVZQNPPD-RPBOFIJWSA-N 448.460 4.937 30 10 IJEE CCCCCCC[C@@](C)(N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F)C(=O)O 2378204115 XCAQBQJMDPTZTD-YLJYHZDGSA-N 432.483 4.637 30 10 IJEE C=CCc1ccc(OCCCn2c(CNC(=O)C(C)(C)C)nc3ccccc32)c(OC)c1 40190298 PWZDXHZTEWFIHT-UHFFFAOYSA-N 435.568 4.905 30 10 IJEE CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(C)c3)S2)c1 58947091 XJPPHOQNOJGBLT-ZPKJPUMHSA-N 425.554 4.682 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2ccccc2C)n[nH]1)C12CC3CC(CC(C3)C1)C2 59310638 JMAQJNXVUBIOIC-CVKSISIWSA-N 438.601 4.848 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sc(NC(=O)c2ccco2)cc1C 62896743 XSERRYRPJCJNHN-UHFFFAOYSA-N 425.466 4.638 30 10 IJEE CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2cc(Br)ccc2OC)cc1 97992438 WCFJKGUSZNFVBK-WQLSENKSSA-N 446.341 4.601 30 10 IJEE N#C[C@@H](NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccc(F)cc1F 111219276 ODRVIIUCFKOTEE-HXUWFJFHSA-N 439.487 4.525 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)s1 169954328 HOQQSYRTZPPMKD-OAQYLSRUSA-N 447.560 4.917 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccn2)c1 169990660 KCJSNOCXTBEDGH-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccnc2)cc1 170001261 JEQWPZDDSSUYNO-HSZRJFAPSA-N 439.471 4.677 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1 170048414 UDSOZHFBQRZEGD-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)cc1 170080247 JMXGZQCHHBGCCW-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccco2)cc1 170096347 ROOMTASUQNTCTO-HSZRJFAPSA-N 431.488 4.726 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccs1 170155052 FEYBIXOPSOAXGP-HXUWFJFHSA-N 429.538 4.539 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccnc2)c1 170185368 SUOCUGSIKQCTBD-XMMPIXPASA-N 440.499 4.806 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3cccnc3)ccc2O1 170188653 BNGJPPGHKCOHGT-JLCFBVMHSA-N 446.890 4.841 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)cc1Cl 170233589 PJQIAOHMGNDZTQ-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1OC 170271114 JHLBGEHSJNAFNU-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccco1 170290391 KBYIMNMAKCFOBV-HXUWFJFHSA-N 439.414 4.966 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1sccc1C 170316948 LXCLVYNTVZFDAA-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccccn1)c1cccs1 170351203 FRWZPDNZKRUFPO-QFIPXVFZSA-N 445.544 4.916 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)cc1 170428441 RVQBMNGHTYVKOE-QFIPXVFZSA-N 437.536 4.993 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1Cl 170444139 GRVMMKHHZVQCDO-HXUWFJFHSA-N 428.916 4.540 30 10 IJEE COc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)/C=C\c3ccccc3)c(OC)c1)C2=O 210088291 KXGWGJQGPSSJHA-ZLFAKCGPSA-N 428.440 4.939 30 10 IJEE O=C(Nc1cccc(N=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1)c1ccccc1Cl 252623168 OLLVXJSIUBENQQ-UHFFFAOYSA-N 440.799 4.865 30 10 IJEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1OC 254789681 XWWXQRYCCRTBSI-GQOJFKQTSA-N 427.551 4.698 30 10 IJEE C=C(COCC)[C@H](NCCC)c1cc(I)ccc1Br 387476009 URMSCXBPZBAMIT-HNNXBMFYSA-N 438.147 4.687 30 10 IJEE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CS)cc1Br 394591270 ZPCFGNJHXQGTER-SJORKVTESA-N 436.371 4.740 30 10 IJEE C=CCC[C@H](NC(=O)C(=O)Nc1sc(CC)nc1C)c1ccc(C(F)(F)F)cc1 426967564 DKYMNUIQSFHEGF-HNNXBMFYSA-N 425.476 4.795 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCN(C2CCCC2)CC1 460368075 GXTUPUROHRKHQR-ZEQRLZLVSA-N 435.616 4.554 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1noc(Cc2ccccc2)n1 481342911 JFQCLPVKBULKOV-UHFFFAOYSA-N 433.537 4.618 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 486729982 MJXKWCPMXMQQFW-UHFFFAOYSA-N 428.604 4.839 30 10 IJEE C=CCn1c(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)nnc1C(F)(F)Oc1ccccc1 521444233 UDDNGJSCUQEMKP-ZYSBOAIWSA-N 446.523 4.527 30 10 IJEE COC(=O)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488169 GBNKZHSKUHWKQA-JOCHJYFZSA-N 428.419 4.541 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526825048 HLKNRTBUPQCGKA-UYOCIXKTSA-N 441.315 4.872 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C(=O)OC)cc2)cc1Cl 526826954 FFUKGVUILQCVKD-FMCGGJTJSA-N 444.944 4.600 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 531321986 TWIAEGDAMGEXPS-UHFFFAOYSA-N 425.876 4.713 30 10 IJEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)ccc1OC(C)C 549149968 YHGGRCIXJAIKGK-UHFFFAOYSA-N 431.540 4.529 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 549253545 ZVMXRXLLAXMJKU-QGZVFWFLSA-N 449.521 4.673 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 584022398 MXMWBFSIJLWPNO-QHCPKHFHSA-N 443.551 4.826 30 10 IJEE COc1ccc(CCN(CCCC#N)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC 586143186 CKHRVWROUPRZEY-UHFFFAOYSA-N 444.597 4.538 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1ccc(C(F)(F)F)nc1O 731564549 JMZAVQMAAQKULD-VURMDHGXSA-N 425.769 4.989 30 10 IJEE Cc1oc(NC(=O)COC(=O)c2csc(-c3cccc4ccccc34)n2)c(C#N)c1C 778191532 OQKDGBRDTIKBSH-UHFFFAOYSA-N 431.473 4.840 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(C2(C(=O)OC(C)(C)C)CCC2)no1 904831303 KVRAIVFZFKEWHA-CYBMUJFWSA-N 427.929 4.541 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccc(C)cc1 1084536826 OWCXKDGOMCRSJH-UHFFFAOYSA-N 430.537 4.833 30 10 IJEE N#Cc1cc(C(=O)Nc2c(C(=O)c3ccco3)oc3ccccc23)cnc1C(F)(F)F 1124183671 GSEVGEGGLZORDH-UHFFFAOYSA-N 425.322 4.795 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)CCCN1C(=O)OC(C)(C)C 1124388068 VRVLSWAKXYNCMK-QFIPXVFZSA-N 447.507 4.820 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)c1ccc(Br)cc1 1129609611 XZCOIPDVUMKEPX-LJQANCHMSA-N 428.326 4.883 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCCC[C@@H]2C(F)(F)F)nnc1-c1ccco1 1133877713 KPNVAZUNJIJUPF-OAHLLOKOSA-N 428.480 4.540 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCCC[C@H]3c3ccc(CC)o3)ccc2c1=O 1136864635 XZMZRLLNHFARIR-FQEVSTJZSA-N 437.565 4.784 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccn2cc(C(F)(F)F)nc12 1141988670 CCVHEZVRHFANFP-UHFFFAOYSA-N 440.219 4.933 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)cc(Br)cc1C 1142689089 WVZCZPXNPVPMAG-GOSISDBHSA-N 439.394 4.932 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 1147941920 JJFLXAFRLVBESX-OLZOCXBDSA-N 435.512 4.979 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3[C@H](C)C[C@H](c4ccccc4)C3(C)C)ccc2c1=O 1153177869 PEOZGHCAABFDMQ-OXQOHEQNSA-N 433.577 4.668 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(Nc2ccccc2C)CCCC1 1157864267 JEJXBQPIKOFKHT-UHFFFAOYSA-N 430.552 4.900 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2ccc(C#N)c(Br)c2F)C1 1164131735 YJLIJLULVFLISF-GFCCVEGCSA-N 448.283 4.764 30 10 IJEE CCO[C@@H]1C[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCCCC2 1169998651 FAZCKSFRXWXMEN-FCHUYYIVSA-N 426.605 4.748 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1 1187063734 FQQBXRRFXHNDNT-UHFFFAOYSA-N 439.846 4.954 30 10 IJEE CCN(CC)[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccsc1 1217007704 CENCPIQKGGGQSS-MRXNPFEDSA-N 426.464 4.723 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C)c1ccc(Cl)cc1F 1221596419 OKIZFPCEVQTUDY-ASSNKEHSSA-N 428.870 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCCSc2ccc(Br)cc21 1227478401 BCSYWJKJAMRCKQ-SKDZVZGDSA-N 425.392 4.657 30 10 IJEE C#C[C@@H](CC)NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 1229532844 VYYBHLUEZXXLPI-BDYUSTAISA-N 442.559 4.923 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1 1234239250 YPWXMZXFXRLFKT-OAQYLSRUSA-N 445.604 4.991 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2ccc(C)c(C)c2)C[C@@H]1C)c1ccc(Br)cc1 1252458999 NXWZCVXANNQPSN-PGRDOPGGSA-N 440.385 4.661 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 1272482971 AMCGWGQXGKLMHX-QFIPXVFZSA-N 434.398 4.865 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)ccc1OC 1286437624 KFEDCIZPJYKSES-MRXNPFEDSA-N 438.572 4.787 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1286584542 MGMFNZDNRMUOEB-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(SCC)c2)CC1 1286634679 ZXLZDQZMHBVGNX-UHFFFAOYSA-N 427.618 4.513 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286669926 XURZDAVIEBJXOH-GOSISDBHSA-N 442.608 4.569 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCCc2sccc2C1)C(C)C 1286750452 ARUDKDPHEWZRKJ-NRFANRHFSA-N 425.646 4.868 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCN1CC 1286753066 SRCVXUAHJYKESU-HXUWFJFHSA-N 444.421 4.760 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC(C)(C)C 1286782751 FDBYTOVUOUPBBK-UHFFFAOYSA-N 441.576 4.597 30 10 IJEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCC1(C)C 1287206510 BUYPAUAAKRKQKR-QHCPKHFHSA-N 434.632 4.812 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1 1288495394 FGECMARCUMFJIT-GOSISDBHSA-N 434.613 4.950 30 10 IJEE Cc1ccoc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCC(C)C)CC1 1289239352 ICXRZGGNCOXUJN-UHFFFAOYSA-N 433.556 4.798 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3N[C@H](C)c3ccccc3)cc2C1=O 1297789740 CWVKOQCPXPJJES-QGZVFWFLSA-N 425.488 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccccc1 1300284479 SLZXMGNMAMOXHT-IQGLISFBSA-N 434.609 4.641 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1300295124 CZBWQLQXMDFHET-QGZVFWFLSA-N 446.624 4.891 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(N(CC)CC)CC1 1300352136 GRFJIYUFWCYRMX-UHFFFAOYSA-N 430.600 4.607 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301176953 NLNDGTVPTMJSDI-HSZRJFAPSA-N 447.631 4.989 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301231030 APRADZHUQGAWLF-HKUYNNGSSA-N 438.494 4.596 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 1301236929 KTZZBHAETWRSFA-KRWDZBQOSA-N 439.551 4.798 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@]2(CCSC2)C1)C(C)C 1301367694 RTCBERZMQFWQKA-DHLKQENFSA-N 443.705 4.968 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1 1303619251 GVCMTMSXKVDJGE-GOSISDBHSA-N 434.613 4.950 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1Cc1ccnc(OC2CCCCC2)c1 1303632965 ADMZXVYZBVOAES-LJQANCHMSA-N 430.556 4.838 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(OCc4ccc(Cl)cc4)c3)CC2)cn1 1310311109 AXWYIMPOGGLIPF-UHFFFAOYSA-N 447.926 4.540 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1311294930 ULZUGVJAGQZVHF-UHFFFAOYSA-N 425.891 4.909 30 10 IJEE C[C@]1(CCc2ccccc2)CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1312944126 ADPCGYHJPIOMNL-MHZLTWQESA-N 430.596 4.577 30 10 IJEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCC2(C)C)cc1 1315533595 FLCSVCYYMBHYMR-UQBPGWFLSA-N 437.588 4.822 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C 1355027549 OLOSWQFZXBHRCV-OAQYLSRUSA-N 443.009 4.722 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3nc4c(C(F)(F)F)cccc4s3)C2)c(F)c1 1355673014 HQHIZALRMOSPOT-LBPRGKRZSA-N 434.418 4.791 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)cc(OC)c1OC 1358049208 KZXHCJXWRIRZTH-UHFFFAOYSA-N 442.515 4.813 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2ccccn2)CC1 1359175562 QVOJMDUIIGJUIV-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCOCC1 1359196317 CITOQBYHZMLZCW-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1359215208 XJAYIWSCNLALOR-RXVVDRJESA-N 439.560 4.640 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](c1cccs1)N(C)C 1359234624 VFJMISCEMQYWGJ-QGZVFWFLSA-N 446.418 4.694 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCn2ccnc21 1359267219 ZDJALMZQDVXGSL-FCHUYYIVSA-N 446.599 4.987 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1cnn(-c2ccccc2)c1 1359277568 PQEOUYVRKLWBTR-UHFFFAOYSA-N 444.583 4.929 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)CCCN1C(=O)OC(C)(C)C 1360260162 VACXEFJLNRPFRV-VWLOTQADSA-N 441.572 4.711 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1438003041 XJNOBLWLAXVXSG-UHFFFAOYSA-N 447.000 4.814 30 10 IJEE CCc1ccccc1O[C@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccccc1 1440678459 CHBHCOUOZDFRLT-BDYUSTAISA-N 439.559 4.778 30 10 IJEE Cc1ccc(COc2c(C)cc(CN(C)C(=O)c3nc(O)c(C#N)cc3C)cc2C)cc1 1443993151 MGSMNGNVWULVBI-UHFFFAOYSA-N 429.520 4.744 30 10 IJEE C#CCCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1446060002 FIOMDCJAIVDAJD-UHFFFAOYSA-N 440.609 4.935 30 10 IJEE C#CCN(C(=O)c1ccn(C(CC)CC)n1)[C@H]1CCOc2ccc(Br)cc21 1456444181 HABDDSIFNTVOAF-IBGZPJMESA-N 430.346 4.606 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@H]1C 1458784869 VWJXOHIJWXGAFG-WAOWUJCRSA-N 427.614 4.910 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2ccccc2F)c2c1CCCC2 1459981441 VNEPPHXHCBZDDI-UHFFFAOYSA-N 435.547 4.886 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 1463268701 AFFXGIPAKRWYJK-LJAQVGFWSA-N 429.929 4.952 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(OC(F)(F)F)c1 1464434098 GSIIZBFWYGSBMH-VIFPVBQESA-N 431.329 4.783 30 10 IJEE COc1ccc(CN(CCCO)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 1465212195 HQCXSBWLQLCOSM-RUZDIDTESA-N 429.520 4.767 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2 1466532414 VXSPKYJGXJKNGV-UHFFFAOYSA-N 428.508 4.956 30 10 IJEE CN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@H]1CCN(c2ccccc2Cl)C1=O 1466607753 DCYQHWOIVJOBCB-IBGZPJMESA-N 440.931 4.658 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1ccc2ncccc2c1 1466816177 HPMHUJVIMAGCQT-UHFFFAOYSA-N 426.314 4.926 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 1472150427 IAVPQZHVTCSXRM-CJFMBICVSA-N 426.557 4.703 30 10 IJEE CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccc(C)cc1 1473341558 AOCNPPOIFSKEHL-DEOSSOPVSA-N 430.552 4.962 30 10 IJEE C#CCC1(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CCCCC1 1475718480 YSMVBGMAVGLDAM-UHFFFAOYSA-N 425.175 4.760 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 1476729715 YVSDCWWZVUKTPC-LJQANCHMSA-N 444.373 4.752 30 10 IJEE CC[C@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@](C)(C#N)C1)OC 1497210384 HLJPEEJCGZWHSY-KBMIEXCESA-N 449.555 4.672 30 10 IJEE COC1(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)[C@H](C)CC#N)CCC1 1504039178 HIFFBBJKNCIGCZ-SJORKVTESA-N 431.968 4.769 30 10 IJEE COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)C[C@H](C)C#N)c(C(F)(F)F)c1 1504265365 FYKGCVAMIFUCRG-CYBMUJFWSA-N 433.434 4.518 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCO)Cc1ccccc1 1507557538 LSFWIBIAYAXSPD-HXUWFJFHSA-N 448.636 4.934 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1507611952 STUCHXFNIVYXKI-YADHBBJMSA-N 437.632 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCCC1 1507822962 BRABBNSLDJDARB-UHFFFAOYSA-N 425.621 4.653 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(CC)C1)c1ccccc1 1507850091 BEAYZPYZCRONKP-XMMPIXPASA-N 435.597 4.609 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C[C@@H]1CCCCO1 1507858170 GCCZEIOROLBQHR-IBGZPJMESA-N 442.947 4.875 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1507905324 TYEYKBOFFFJYPI-UHFFFAOYSA-N 427.593 4.765 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1ncc(CC)s1 1508006331 BYNQJICMDZJFSA-UHFFFAOYSA-N 436.610 4.970 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)C1CCCCC1 1508009639 VDYICKPVABZFPN-XMMPIXPASA-N 437.613 4.926 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2sccc2C)C1 1508126259 HDUNIBAOECZHNQ-NRFANRHFSA-N 438.597 4.559 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](c1ccco1)N1CCCC1 1513204121 HPAZMGCUTCHESR-MZYLBHOOSA-N 446.599 4.846 30 10 IJEE C[C@@H](OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 1515135462 DYTWSWQOMFWOOO-OPAMFIHVSA-N 433.508 4.780 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OC(C)(C)C)C2 1515309747 QFZPTYZXGKBHKB-QFIPXVFZSA-N 436.574 4.759 30 10 IJEE CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2ccccc2F)n1CC(F)(F)F 1517180706 CINBDQDXWQRGKE-UHFFFAOYSA-N 439.360 4.758 30 10 IJEE COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1530180169 DRDFBVZGBWBEGX-QWRGUYRKSA-N 429.332 4.894 30 10 IJEE C#CCN(C(=O)/C=C/c1ccc2[nH]ccc2c1)[C@@H]1CCOc2ccc(Br)cc21 1531552697 FVDCUYRUPFTQEM-FAZYEBOESA-N 435.321 4.929 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 1538097551 HHJWVNBGQIMKAE-MRXNPFEDSA-N 427.342 4.668 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1539053613 WGRVZVPBBQJBPC-XLIONFOSSA-N 445.405 4.936 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)(C#N)CC1 1539055580 CWXNLEFZJWBFAD-UHFFFAOYSA-N 440.389 4.950 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1539070919 GVAOGNLVZSEMCN-SFHVURJKSA-N 430.890 4.846 30 10 IJEE C#CCSCCn1c(Nc2cnn(C)c2)nnc1-c1sc2ccccc2c1Cl 1539531236 SNTDTESLGFYZAZ-UHFFFAOYSA-N 428.974 4.657 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(SC)CCC1 1539540007 CLLIDVYPXPISSB-HXUWFJFHSA-N 445.430 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccnc(SC)c1 1539652444 TZNFWILQCTXVQP-UHFFFAOYSA-N 447.406 4.603 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539690747 IMXHEXKUMVVIBA-OAHLLOKOSA-N 436.387 4.571 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@](C)(CC)C1 1539729480 JDJWPYLPRGPESO-WZONZLPQSA-N 448.995 4.670 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1539828615 MJRXTCXBFAIIHD-WOJBJXKFSA-N 444.023 4.960 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1539875776 WJXQOWJPPBLCSP-XMMPIXPASA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1539909552 NJYHLGSFXVMXKC-QHCPKHFHSA-N 449.643 4.852 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CCCO1 1540133478 GPUOUVLQRWUGHH-QHCPKHFHSA-N 441.938 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCSC1 1540189479 VFTHLTMAPBXQEH-CEWLAPEOSA-N 444.645 4.778 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=C)C 1540191881 REORPNXGXDMRJL-UHFFFAOYSA-N 425.758 4.576 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]2C(C)(C)C)c1 1540248160 MWYGFIVDPLUIJM-NRFANRHFSA-N 447.000 4.982 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(Br)s1 1540858533 BJBJNFIQPKQGSV-UHFFFAOYSA-N 439.329 4.794 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCC1 1540916853 IGFIHUPGUWOIGL-UHFFFAOYSA-N 449.665 4.548 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2cc(F)ccc2C1 1540922177 GFXYJEHPQXRTSY-NHCUHLMSSA-N 444.620 4.818 30 10 IJEE C[C@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)C1 1543765460 GTKDZXUZXKHCQE-ROUUACIJSA-N 448.571 4.793 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3cc(Br)cc(F)c3O)cc2)nc1 1544279339 FWYGJKRJWDGJBA-UHFFFAOYSA-N 428.217 4.605 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2O)cc1 1545025389 BUGSEAGIQFFWNP-UHFFFAOYSA-N 444.422 4.642 30 10 IJEE CCc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1Cl 1559831711 BEODDYZNYSQZRD-OAHLLOKOSA-N 431.367 4.577 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@]2(c3ccccc3)CC2(C)C)n(-c2cccc(F)c2)c1C 1560028932 HQRWOGCSHJEWOJ-SANMLTNESA-N 430.527 4.958 30 10 IJEE C#CCN(Cc1ccc(Br)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1560143133 RLKRBVKDELFION-UHFFFAOYSA-N 441.797 4.937 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCCN(c4ccccc4F)C3)s2)cc1 1562155742 HVWILRGWBGUTRS-GOSISDBHSA-N 435.528 4.535 30 10 IJEE C=CC[C@@H](CO)CNC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1563320406 SPLBBYYZJOPLDM-MRXNPFEDSA-N 425.367 4.714 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@@H]12 1565538170 ZXKJZOJZCOHWGC-AQBORDMYSA-N 429.004 4.776 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1587746035 HIWONYWXYDFXKD-XZOQPEGZSA-N 449.643 4.848 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@@H](C)C1 1589163954 OUNOFHHIIXQSQZ-PNLZDCPESA-N 443.389 4.515 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1593654558 BZJFPLVKFDLKOC-UXHICEINSA-N 431.625 4.717 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2C)CC1 1594003457 APOQEMMIFCCHTA-TZIWHRDSSA-N 444.023 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](COCC)C1 1594461958 ZUVZWQVYGDAQFB-SFHVURJKSA-N 427.549 4.709 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1594760849 ROQITOWQIWSBPI-HXUWFJFHSA-N 427.499 4.567 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cc(COC(C)(C)C)on1 1594885938 RXXXNWUSTRMMLE-UHFFFAOYSA-N 447.486 4.520 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F 1595134115 SHHLHDLGXVGZGD-OALUTQOASA-N 434.506 4.939 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCOC[C@H]1C 1595161863 NZJIKDCMIVVQBW-AEFFLSMTSA-N 443.642 4.561 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)C[C@@H](C)C1)C(C)C 1595165526 JJBXGWPHXGPQIL-TZBSWOFLSA-N 446.643 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCc1csc(C(C)(C)C)n1 1595223489 WBIMUIXRDXKZHL-UHFFFAOYSA-N 442.658 4.809 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1Cc1cnc(C)s1 1595259939 DZRTYFOQNXYETH-UHFFFAOYSA-N 437.544 4.649 30 10 IJEE C#C[C@@H](NC(=O)c1c(Br)ccc(OCC)c1F)c1ccc(Cl)cc1F 1597002594 KMHQHWNZMZRQQI-CQSZACIVSA-N 428.660 4.884 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1 1616398479 ARIAUMJBSUCMAM-UHFFFAOYSA-N 433.508 4.508 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 1616817494 FLBAHWQBGRYRER-SSEXGKCCSA-N 437.487 4.557 30 10 IJEE CCC(CC)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1cccs1 1621676444 BJBGBFBKMXJJTQ-QGZVFWFLSA-N 427.389 4.838 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br 1621724547 ANAIQXVRJNROEN-UHFFFAOYSA-N 448.304 4.887 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2ccc(OCCCC)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 1624943062 SMTCIMXPHIGGAV-GOSISDBHSA-N 446.588 4.865 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C 1626171051 IZFKNAWTCJCDQE-OAHLLOKOSA-N 427.339 4.598 30 10 IJEE C=CCN(CCC#N)C(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1628430646 SGFIQFLNCIEXTC-VWLOTQADSA-N 443.547 4.788 30 10 IJEE C#C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 1628629237 ZJQABHKSUZPCNU-UVQBRAAOSA-N 437.326 4.752 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 1632474601 VGUYPSPAYCQBGY-JSGCOSHPSA-N 442.812 4.720 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)C(C)C 1639715783 SZIGTFVNZBEWAU-JOCHJYFZSA-N 426.582 4.526 30 10 IJEE CC(C)n1ncc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1-c1ccccc1 1639957466 BZNPAYIWXCGIGM-QHCPKHFHSA-N 447.970 4.807 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc2sc(Nc3ccccc3)nc2s1)C(=O)OCC 1642684179 YCFMEJQLAIWDDL-CYBMUJFWSA-N 435.958 4.906 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)cc2n1 1646451029 UHHXNGOSPFEYHI-NRFANRHFSA-N 432.524 4.695 30 10 IJEE C=CCN(CCc1cc(Cl)c2c(c1)OCCCO2)[C@@H](Cc1ccccc1)C(=O)OCC 1654153101 ZVAAEELQWQVAML-QFIPXVFZSA-N 443.971 4.706 30 10 IJEE C#CCN(Cc1cc(-c2ccc(Cl)cc2)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1655587377 ZMRQFFJCYPMNKL-UHFFFAOYSA-N 429.948 4.830 30 10 IJEE C#C[C@@H](N[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)c1ccc(Br)cc1 1658192855 GBURNQBSOSSBGF-MGPUTAFESA-N 433.777 4.804 30 10 IJEE N#Cc1ccc(-c2cc(N3CCN(Cc4cc(C(F)(F)F)ccc4Cl)CC3)n[nH]2)cc1 1658505806 CXOBANIRJQTPLO-UHFFFAOYSA-N 445.876 4.943 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 1659391964 RBKRZKGNWSVYJK-GCJKJVERSA-N 440.609 4.592 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(N(C)C(=O)OC(C)(C)C)cc1 1663453437 MJSBAMVUGMUBAI-UHFFFAOYSA-N 429.517 4.753 30 10 IJEE C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)Oc1ccccc1Br 1666747721 GCZYNKJHWUVILL-LLVKDONJSA-N 440.244 4.511 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCc3cccc(OC(F)(F)F)c3)n2)c(Cl)c1 1668221628 FKRROQNMIGEQPE-UHFFFAOYSA-N 435.793 4.618 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1Br 1674452211 HHPJJRRCNXIRRM-CXAGYDPISA-N 434.359 4.556 30 10 IJEE C=CCC1(NC(=O)Nc2nccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)CCCCC1 1675195164 GNMMMJZWODENJF-KRWDZBQOSA-N 429.565 4.602 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1677425262 ZJBBKMPSFGRTTM-KRWDZBQOSA-N 425.248 4.684 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC[C@H]1COc1ccc(Br)cc1)c1ccncc1 1679334984 OXGJKRKROKFFOC-AZUAARDMSA-N 430.346 4.714 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](O)COc1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1680628905 GLRXXLJQZJBZGK-CTNGQTDRSA-N 436.474 4.760 30 10 IJEE C=CCC1(CNC(=O)N2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCC1 1682500788 LAQVBTURCONVCT-ACRUOGEOSA-N 449.636 4.617 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Oc2cccc(F)c2)CC1)c1ccc(Br)cc1 1683512266 JCPUDQSVMWHANG-HXUWFJFHSA-N 431.305 4.516 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(Oc2ccc(F)cc2)n1)c1ccc(Cl)cc1F 1686923092 XFCUHQGRFOFXIN-FQEVSTJZSA-N 427.838 4.979 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1oc(CCC)nc1C 1689835023 DSPMOBNZJVXEHL-HZPDHXFCSA-N 437.613 4.887 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1689877353 XBCWJGNZMBTYDV-CVEARBPZSA-N 433.419 4.841 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1c(C)noc1C 1689881621 WXPJXXREBSBHOA-UHFFFAOYSA-N 427.936 4.652 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCO[C@H]1CCCC[C@H]1C 1690009213 YAHXSUQYTNZTPX-UTKZUKDTSA-N 445.394 4.920 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@H]21 1690223141 GHLWMXGKXLMBOE-DLBZAZTESA-N 447.377 4.640 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(F)(F)C1 1690350871 ZMOFVOJLZNCBHU-UHFFFAOYSA-N 431.314 4.849 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)c1ccccc1 1690444960 PDKFTTCTZLQDOY-HQRMLTQVSA-N 445.489 4.789 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCc1cccc(C)n1 1690571627 DOXWEOYKCAKTBS-UHFFFAOYSA-N 442.542 4.542 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H]2CCCCCC[C@@H]21)C(C)C 1690583363 IGYPSKUADUHGAD-UEQSERJNSA-N 441.664 4.987 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1690590414 YMNBHWFHRXOJRS-SIKLNZKXSA-N 436.629 4.607 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690598805 ACXHMGOHBINUKY-MJGOQNOKSA-N 444.505 4.989 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOCC2(CC2)C1 1690736898 RSOQGVZSKOUQBJ-UHFFFAOYSA-N 426.630 4.779 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1690750154 BFTVRVBTJAMIQB-VQTJNVASSA-N 442.629 4.801 30 10 IJEE CC(C)(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)n1 1691048833 BKJQIZFVVQZHNQ-UHFFFAOYSA-N 445.596 4.749 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCSC1 1692821656 FGDSTJZXHYYPSU-AEFFLSMTSA-N 446.020 4.955 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCCN1CCCC1 1705481314 DQTXXVUIMIOIMM-WOJBJXKFSA-N 439.673 4.855 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1705519376 IPVQLJIUEJEXFL-OFNKIYASSA-N 434.609 4.895 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1Cc1ccc(CC)s1 1705619358 ODVULKPZBGBIJY-UHFFFAOYSA-N 431.540 4.791 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN(C)C 1705668229 HFLBODDKXGPCPE-QFQXNSOFSA-N 437.632 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1705719522 BKFQVVNYZCWBHB-RUZDIDTESA-N 438.572 4.685 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 1705796011 WVOBYUKYCMUXLQ-FQEVSTJZSA-N 449.559 4.708 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(CC(C)C)c1C)C1CC1 1705853917 JBQPZUNGAGTHBF-UHFFFAOYSA-N 439.007 4.886 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C 1705866943 CYHMVEKBOZAOHP-HSZRJFAPSA-N 442.696 4.555 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(CC)C1 1705868606 UUHVEECDLUYNMB-LJQANCHMSA-N 427.643 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@@H](O)C1 1705871177 AGKLJHGYVUKPNT-NVXWUHKLSA-N 449.368 4.576 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1N(C)CCCC1(C)C 1705878095 UIAABFCFKZAOMP-DEOSSOPVSA-N 444.627 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCCC(F)(F)F 1705883075 URTDCOZNDNKLDA-UHFFFAOYSA-N 447.299 4.689 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1722328846 ZEYWVOYIQPKHJT-XMSQKQJNSA-N 442.991 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(O)CCCC1 1722502288 NUUMEGFVFLWTHY-UHFFFAOYSA-N 436.556 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCCC1 1722503819 WGGNWPDXMAPDSX-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722589040 JQFDXAKYWVMPNR-CVDCTZTESA-N 438.616 4.678 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCCCCC2)CC1 1722604060 SYJNPGASLLUNRD-QHCPKHFHSA-N 429.653 4.621 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C 1722659087 OHZTYCQTCSPBOA-NIRIFSCTSA-N 442.579 4.867 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](c1ccsc1)N(C)C 1723151528 HEBVMWLLESOUSP-HSZRJFAPSA-N 446.624 4.931 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC2CCCCC2)CC(C)(C)C1 1726670826 HFKNTUXCPSVDKA-LJQANCHMSA-N 448.615 4.528 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)C1(C)C 1728918292 BRRSOJQUJFUXNO-NJYVYQBISA-N 439.604 4.518 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H](c1ccco1)N(CC)CC 1740543410 OUICQOSEXMKGDO-DENIHFKCSA-N 442.567 4.627 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCCNc1ccccn1 1740724562 ALHCSCRQOHHOJT-ATIYNZHBSA-N 428.584 4.709 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1740762010 QPEFLXYTKNANCR-LEDOBFOHSA-N 442.604 4.929 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc(F)cc1)C(C)C 1740764971 MQMREJNCPKDKGW-KSEOMHKRSA-N 428.552 4.665 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(C)C)C1 1740787942 MICPEWUOLRVQGL-UYAOXDASSA-N 444.645 4.585 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740788448 TUNAANMWPISLAD-RBUKOAKNSA-N 449.640 4.514 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740815680 GZVQOSFIMBNQFC-HOCLYGCPSA-N 427.401 4.980 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(CCC(C)C)CC2)CC1 1740819936 KIWFKCPALFEKOK-UHFFFAOYSA-N 432.616 4.731 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740864646 CNKWGTXCRRDVJY-NRFANRHFSA-N 441.526 4.957 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCOC2(CCCCC2)C1 1740866487 FQNGXMNNMZBBIT-UHFFFAOYSA-N 428.552 4.892 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1 1740876901 XMINHWLUJASBSN-GOSISDBHSA-N 449.665 4.691 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740878087 HPRMMHKLEBECIT-UHFFFAOYSA-N 439.604 4.523 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1N(C)CCCC1(C)C 1740917989 DNRPPHRZIDCPAL-HSZRJFAPSA-N 432.616 4.597 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1740924422 QJXBFUMWJPSQSR-UHFFFAOYSA-N 449.511 4.763 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC(F)(F)C1 1740936846 LFOATKJZTFWBCV-KRWDZBQOSA-N 447.555 4.897 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C1 1740984870 LBZHUVOHUUKRQQ-SIKLNZKXSA-N 449.020 4.578 30 10 IJEE CO[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 1748426966 BKDDLFRFHQFLGR-OFNKIYASSA-N 436.947 4.511 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1748701326 GSOATEWEUNIWDI-RHSMWYFYSA-N 426.870 4.558 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@H](C)C1 1748736046 WQBWAOIORSIOCG-JKSUJKDBSA-N 431.378 4.612 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1748739095 VYVYCCBFZCALIW-NRFANRHFSA-N 435.959 4.593 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1748759439 KSCAQXAQPXXHMN-IRLDBZIGSA-N 426.630 4.998 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CCOC 1748917705 JLXUDSPGAJMLSD-UHFFFAOYSA-N 433.394 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1749072128 GVJUIWDWCMJRLP-OHUGHZGNSA-N 439.673 4.679 30 10 IJEE C=C(C)COCCn1c(N2CCC(CCN3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C 1749239621 NFSLTNKSJWAEOC-NRFANRHFSA-N 431.669 4.649 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1)c1ccccc1 1749242125 CLDWXTRDRNSHCW-UHFFFAOYSA-N 438.963 4.606 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749280109 DHPAQFJIJMSVPV-HSZRJFAPSA-N 432.996 4.868 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749436941 AJXQBYLVPLUKIC-KNQAVFIVSA-N 426.605 4.982 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCc1cccs1 1749476169 ZGESRPDSOHPJNI-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CC[C@](C)(CC)O2)C1 1749697365 JGVWSWXEFXBXNN-FCBCXNLDSA-N 438.616 4.949 30 10 IJEE CC(C)C1(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750596792 GTPNGHSOAPEEFS-SFHVURJKSA-N 438.370 4.647 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCOC1CCCCCC1 1751097015 BUFVRGFPXOPDIO-HXUWFJFHSA-N 434.588 4.759 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(NC(C)=O)c1 1760226863 LYTBYFPHLIYFMX-QGZVFWFLSA-N 447.608 4.598 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC(F)(F)Br 1760289087 HJCHRLBGHUYJKM-MRXNPFEDSA-N 429.696 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1760297558 ZMLOOHPBBCOPET-PRVBGKCFSA-N 447.671 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCN(C)[C@@H](C)CC 1760331247 JIBNVFNPVDZWCE-HNNXBMFYSA-N 440.455 4.902 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1760336227 WHRYIQVWFLLRFD-UYAOXDASSA-N 432.515 4.765 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760343775 SILWVAABQRMFAP-KSSFIOAISA-N 449.958 4.663 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1760352177 QYBCJTAHNWIRCA-IRXDYDNUSA-N 433.394 4.701 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN(C(C)C)C(C)C)CC1 1760383905 CUTMEFOZBBFAFO-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1760393370 OTKBVPLOSXKNFH-OFNKIYASSA-N 440.588 4.617 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1760404439 ANQDFAICIDFNDG-QFIPXVFZSA-N 425.621 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1760413316 DZABRHRXCNQNBW-UHFFFAOYSA-N 433.641 4.963 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1C[C@@H](C)O[C@H](C)C1 1760458393 FIHUEMFTHHVKIG-RTBURBONSA-N 436.556 4.943 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(SC)CCOCC1 1760468187 LDMMGBFNNLGBJB-UHFFFAOYSA-N 439.050 4.758 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(OCC)CCCC1 1760491249 YZSUDNUAYOGYNY-UHFFFAOYSA-N 434.382 4.563 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1760511905 ORCNGZGIVDCHAB-UHFFFAOYSA-N 438.988 4.710 30 10 IJEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCC(F)(F)C1 1764949385 DNNXDWYJVZKKOQ-QUCCMNQESA-N 429.515 4.506 30 10 IJEE CCOC1(Cn2c(COc3cccc(C)c3)nnc2N2CCC(CC#N)CC2)CCCC1 1765943262 CPOXQJZBKXXDKS-UHFFFAOYSA-N 437.588 4.645 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CCCCC1)N(C)C 1767260039 CZPNVUHEYDHKBW-FQEVSTJZSA-N 448.537 4.716 30 10 IJEE C/C(=C1\SC(=Nc2cccc(C(=O)O)c2)N(C)C1=O)c1ccc(Br)cc1 1772737622 MNMAWANLAONZFK-CLEIAUBXSA-N 431.311 4.771 30 10 IJEE CCCCCCCCn1cc(O[C@H](C)C(=O)Nc2ccc(C)cc2)c(=O)cc1C(=O)O 1857890179 LMLKBXLCKYRLMB-GOSISDBHSA-N 428.529 4.621 30 10 IJEE N#Cc1c(NC(=O)COc2ccc(NC(=O)c3cccc(F)c3)cc2)sc2c1CCC2 1860141104 GWYMNANJHJRHNX-UHFFFAOYSA-N 435.480 4.517 30 10 IJEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2Cl)c1 1860456847 YNUJWENDBKGOSJ-UHFFFAOYSA-N 443.846 4.823 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(O)c1 1862507372 JXMRHTJQDKFNRT-JOCHJYFZSA-N 441.499 4.625 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 1862590435 IRCUOAVETVMQBE-XMMPIXPASA-N 443.499 4.742 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591936 RFBNFHFIDRUANA-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1C(=O)O 1862651220 NWLOSCJLQLEZNI-JOCHJYFZSA-N 429.472 4.916 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862694970 XAVNBEBMFBTKIR-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1863210812 OWCMPRMYCCTCBN-HTAPYJJXSA-N 429.520 4.728 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c1 1863445518 CUGZOCBZLFOUMU-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2ccc(OCC)cc2)C1=O 1863569535 ZBQXVTGCFPJKJO-UHFFFAOYSA-N 435.568 4.711 30 10 IJEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868221417 LQKAEHAMQFCILP-IBGZPJMESA-N 427.508 4.938 30 10 IJEE CCOc1ccc(-c2nc(Nc3cccc(C#N)c3)cc(N3[C@@H](C)COC[C@@H]3C)n2)cc1 1868518450 RWABHRDNOWNWQE-ROUUACIJSA-N 429.524 4.771 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)n(-c2ccccc2)n1 1870001447 FGAJAHDKUIIPQZ-KRWDZBQOSA-N 437.931 4.505 30 10 IJEE N#Cc1ccc(COc2cn(CCc3ccccc3)c(CN3CCCCCC3)cc2=O)cc1 1870348823 NRSIRPDBUKZGBZ-UHFFFAOYSA-N 441.575 4.918 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CNc1cccc(F)c1 1870823814 DQUXFSVUCKFKOT-UHFFFAOYSA-N 449.526 4.674 30 10 IJEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 1871281266 NQNDJKMEHFBIRA-UHFFFAOYSA-N 428.684 4.974 30 10 IJEE CC[C@@H](C)N1COc2ccc3c(c2C1)O/C(=C\c1cc(Cl)cc2c1OCOC2)C3=O 1871351874 FABORNQWDLTUGU-SQKQDPHPSA-N 427.884 4.773 30 10 IJEE Cc1c(OC(=O)COc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871364540 QVEHZAFWIJNXBB-BKUYFWCQSA-N 431.400 4.504 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3ccccc3)C4=O)CC2)c1C 1871397836 SLFBRXQUXRQXAO-ONUIUJJFSA-N 440.543 4.947 30 10 IJEE Cc1c(OCCN2CCCC2)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871449674 RMERWBKOPUEBAO-ZHZULCJRSA-N 428.326 4.848 30 10 IJEE O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCCN3CCCCC3)ccc21 1871451320 OWXHPZADPQDWLF-STZFKDTASA-N 428.326 4.930 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCC 1871783747 KMMBUVUWELXXAC-SFHVURJKSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cccs1 1872065994 KPMOGNUIDBZKPP-IBGZPJMESA-N 438.590 4.960 30 10 IJEE CCCCCCOc1ccc(NC(=O)Cc2nonc2OCc2ccc(C#N)cc2)cc1 1872664856 QIJCLYODSZYIEJ-UHFFFAOYSA-N 434.496 4.661 30 10 IJEE C=CCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2c(Cl)cccc2Cl)C1=O 1873087948 SVCAAFJFWQFIQM-UHFFFAOYSA-N 440.330 4.573 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1sc(N(C)C)nc1C 1873500453 WQGOCOKYLYHIML-SRZZPIQSSA-N 435.022 4.889 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873647229 SSHLKTKNIQSEIG-HDICACEKSA-N 433.556 4.607 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1cccc(OC)c1 1874228432 JLVQLMDTIWASBO-LFVJCYFKSA-N 436.537 4.591 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874273695 JTQRKTGVWRSNJI-LKYUAURQSA-N 440.400 4.694 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1cccn1C 1874311222 FPHLVKWAGLRZBV-YZSQISJMSA-N 445.592 4.893 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc[nH]1 1874392386 KOFMVTCGMJYNLL-HEOQCTJZSA-N 448.527 4.510 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(F)cc1F 1874480681 AXGSFJJUXQTLRV-OPEKNORGSA-N 447.486 4.606 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)(C)C)c(OC)c1 1874482001 ULOGGHAAMFDCRU-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cc(C)ccc2O)c1 1874511727 MGZQYQUEGQZIHO-WYMPLXKRSA-N 437.569 4.645 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2[C@H]2CCCO2)c1OCc1ccccc1Cl 1874560489 ZUKXUMFOLAJKCE-BYWZACNXSA-N 444.944 4.542 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)cc1 1875115153 PGCBVEZPMITCQX-NTUHNPAUSA-N 433.416 4.727 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc(OC)c1OC(C)=O 1875172927 CYYJBHGISCYQNF-CMDGGOBGSA-N 430.884 4.916 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2ccc(OCc4ccccc4)cc2)C3)OC1(C)C 1879734170 YWSZPIRLCPDNAP-HFZDXXHNSA-N 433.357 4.964 30 10 IJEE N#CC1(c2ccc(C(=O)N3CCC(COc4cccc(C(F)(F)F)n4)CC3)cc2)CC1 1890992616 XWAQOOSSXTWIGU-UHFFFAOYSA-N 429.442 4.587 30 10 IJEE N#Cc1ccsc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1891055943 WFNSKSIUBFJIQI-UHFFFAOYSA-N 429.501 4.630 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](O)c1ccccc1NC(=O)OC(C)(C)C 1922075262 VHMPYOXPEHBITL-PKTZIBPZSA-N 426.557 4.818 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@H]1CNC(=O)OC(C)(C)C 2006112533 JSXNCOLDTVOGHL-HJPURHCSSA-N 431.533 4.634 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1C 2078980638 HQNKTQGIEVUBJL-ZTBJCTOSSA-N 449.336 4.964 30 10 IJEE CCOc1ccc([C@H](n2nc(CC)c(C#N)c2I)C(C)(C)C)cc1 2080079996 OFQIOKCSOWGDGV-KRWDZBQOSA-N 437.325 4.956 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1cc(Br)ccc1C#N 2105984351 XYDSJOULTJSURC-KRWDZBQOSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)NCC1CC(F)(CNc2cc(Br)cc(F)c2C#N)C1 2115607396 DRZVGDDHKFAUFG-UHFFFAOYSA-N 430.293 4.515 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c2nsnc12 2137393047 YPFACNIJIKRNMR-ZIAGYGMSSA-N 441.395 4.574 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc(Br)cc2C#N)c1 2181132673 JEZDFHRKJGRHCG-UHFFFAOYSA-N 430.302 4.849 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](CC1CCCC1)NC(=O)OC(C)(C)C 2235734639 WZJMVEDYXCZSQS-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2235745850 GLYBKFFJURHDQC-NLWGTHIKSA-N 433.390 4.638 30 10 IJEE CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C#Cc1ccccc1Br 2235749576 LONQXIKQYXZJDM-UYAOXDASSA-N 435.406 4.816 30 10 IJEE Cc1csc(C(=O)N(Cc2ccccc2)C2CCCC2)c1B1OC(C)(C)C(C)(C)O1 2247919694 SSXKJJWVSAXHLS-UHFFFAOYSA-N 425.403 4.941 30 10 IJEE CC(C)(C)OC(=O)NCc1ccccc1NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255860744 GYNROMLMTZCUFU-UHFFFAOYSA-N 430.354 4.522 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)CC[C@H]1C 2261824617 WCQMRJYOLCXVJV-CLOONOSVSA-N 447.572 4.657 30 10 IJEE COc1ccc(Nc2cc(Br)ccc2C#N)cc1I 2265735995 PXGGAZZNFPAAOW-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CC1(C)OB(c2cccc(F)c2C(=O)N(Cc2ccccc2)CC2CCCC2)OC1(C)C 2267451916 YERVSYRATIYLSL-UHFFFAOYSA-N 437.364 4.958 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](O)c2c(F)c(F)c(Br)c(F)c2F)C1 2267816348 OXNUPLZGCYTNOP-CQSZACIVSA-N 440.231 4.652 30 10 IJEE COCC#C[C@@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276714285 VAQXFLITGXTSJS-AREMUKBSSA-N 445.559 4.901 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(Nc3cc(Br)c(C#N)cc3F)C2)C1 2280144234 UFXHTWPZYCDVMK-DNOWBOINSA-N 438.341 4.907 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCc1cc(Cl)sc1Cl 2281976580 DBHKYWVRGDMUMQ-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2c(Br)cccc2C#N)[C@H](C(F)(F)F)C1 2285185226 XRCRXEYOCGYBBN-QWHCGFSZSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(O)C#Cc1ccccc1Br 2285817166 BIHIWBKJFYYIPW-MAMSFEPMSA-N 434.374 4.635 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2289691795 FJMZPTJAWNSUMJ-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 2296145071 PKSBZBUTDFOLCF-HSZRJFAPSA-N 446.478 4.630 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@H](O)C#Cc3cccc(Br)c3)cc21 2296219741 REOHNXPPFMRRJA-HXUWFJFHSA-N 428.326 4.832 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(CC(=O)C#Cc1cccc(Br)c1)C(F)(F)F 2296232254 LYOXPWHXGBFHTQ-SFHVURJKSA-N 448.279 4.853 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2ccc(Br)cc2)C2(CCCC2)C1 2296286925 QCPZSGXTIFYPID-RTBURBONSA-N 434.374 4.589 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2296300943 OSIAGDOPCMOPHR-VQTJNVASSA-N 435.406 4.862 30 10 IJEE C=CCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OCC)cc1OC 2296656383 BAYXRGPSKYDMSZ-UHFFFAOYSA-N 449.503 4.536 30 10 IJEE COc1cc(C=C2Oc3cc(OCC(=O)c4ccccc4)ccc3C2=O)cc(OC)c1OC 2296867416 NULAYLJSIBHCGF-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2296867883 DCLKCIUFPBXKSY-UHFFFAOYSA-N 446.455 4.686 30 10 IJEE C=CCOc1ccc(C=C2SC(=Nc3ccc(Cl)c(C(=O)O)c3)N(C)C2=O)cc1 2297462053 XHOFMZPBRFQJOW-UHFFFAOYSA-N 428.897 4.837 30 10 IJEE C=CCOC(=O)C=Cc1ccc(OCc2ccc(C)cc2)c(I)c1 2314019436 QWLPOUAFMXZFBC-UHFFFAOYSA-N 434.273 4.921 30 10 IJEE COc1ccccc1C=CC(=O)c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2314429795 OVLQXMNBUWDFJQ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C 2321299708 BGJCGDWFJVGIER-HPJLMOCUSA-N 446.632 4.524 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(N(C)C)cc1)C3=O)CN(CCCOC(C)C)CO2 2322333359 HGZVJHYTZNKTEH-UHFFFAOYSA-N 436.552 4.644 30 10 IJEE CCOc1cc(C=NNc2nc(O)cc(CC)n2)ccc1OCc1cccc(Cl)c1 2323231715 GLOBZPSOWBQFPE-UHFFFAOYSA-N 426.904 4.822 30 10 IJEE COc1cc(C=NNc2nc(O)nnc2C(C)(C)C)ccc1OCc1cccc(Cl)c1 2323302388 XZVDQYPPCFYBHX-UHFFFAOYSA-N 441.919 4.562 30 10 IJEE C=CCN(Cc1ccc(I)c(Br)c1)CC(F)(F)F 2325175008 IOZDQFAHSAFCGM-UHFFFAOYSA-N 434.037 4.604 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325544269 CUMRYENSMISVGE-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1F 2326211736 XJYUMKXRSMWRPY-UHFFFAOYSA-N 428.533 4.604 30 10 IJEE CCOc1ccc(C=CC(=O)N[C@H]2CCNC[C@@H]2C(=O)C=Cc2ccc(C(C)C)cc2)cc1 2328297479 PPNUKXUHGADWAI-UIOOFZCWSA-N 446.591 4.599 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(F)cc1F 2328484212 UJDAGTYAXSJABG-UHFFFAOYSA-N 429.452 4.606 30 10 IJEE Cc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2328992867 PEZXJOPODWGLKT-QFIPXVFZSA-N 447.608 4.794 30 10 IJEE OCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1c(Cl)cccc1Cl 2329143607 WGWPJCDDWRFFNB-UHFFFAOYSA-N 441.771 4.796 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2331108654 LLVRLQKYDAPCKB-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(F)c2)c1 2331376638 BAIOZHNSSXEGLQ-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])c1 2331562240 VSUKHTUHHWGGBV-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OC(C)=O)c(Br)c2)c(OC)cc1Cl 2331689955 DDJCELYWOQBNTO-UHFFFAOYSA-N 439.689 4.941 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1ccc(F)cc1Br)C(=O)OC(C)(C)C 2337912576 ZKJWMEMHHHNPQM-GOSISDBHSA-N 427.358 4.889 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575111 RKTXMJJLNJEZCS-CXISOLTFSA-N 444.381 4.941 30 10 IJEE C[C@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2339588516 JQMKDKHMNLMBMV-PKOBYXMFSA-N 443.397 4.784 30 10 IJEE Cc1ccc(COCc2ccc(I)c(Br)c2)cc1C#N 2377641580 HXJLHDDSJKBPFY-UHFFFAOYSA-N 442.094 4.951 30 10 IJEE COc1ccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 688459 DHCDJWIQFGTAMI-HSZRJFAPSA-N 431.536 4.641 30 10 IJEE Cc1cccc(C)c1NC(=O)C[C@@H]1SC(=NN=Cc2ccc(Cl)cc2Cl)NC1=O 3374595 NNWOKOJFONKJTG-INIZCTEOSA-N 449.363 4.561 30 10 IJEE COc1ccc([C@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)cc1Br 16037969 JQLLMUOVGXVQGB-CZXBDPFFSA-N 439.353 4.990 30 10 IJEE COc1ccc(C(=O)/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1CN1CCOCC1 33381525 XBMWSKKEGYGTOY-NCELDCMTSA-N 441.527 4.677 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 33760238 ZMBOBAQZUOTWTE-FQEVSTJZSA-N 425.868 4.701 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)cc1OC 41354474 LNDIEBDCAHACBK-MTJSOVHGSA-N 436.485 4.838 30 10 IJEE O=C(N/C(=N/c1cccc(Br)c1)NCc1ccncc1)c1ccc(Cl)cc1 45939428 GYGAGMMQSBQGIB-UHFFFAOYSA-N 443.732 4.705 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 97507319 WQNQAKPLBLMIAZ-UHFFFAOYSA-N 433.581 4.523 30 10 IJEE Cc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Br)c3)CC(=O)N2C)cc1C 100262447 ARTZLBADZWWULK-DVCONVQISA-N 446.370 4.656 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 169955617 XBESGSJWNKGPDZ-XMMPIXPASA-N 441.531 4.543 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1C 170049980 KLXXKDVQVBBCIQ-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1C 170058922 PHWHGVCYKDJXNW-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1cccc(C)c1 170139392 OJDFVSSZGUSYAG-QHCPKHFHSA-N 437.536 4.660 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)cc1 170214704 ALIJTNDYCPREPC-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2F)cc1 170249503 LUVVNCQFUCIPDU-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2F)c1 170250747 ZVBQYDZREVYHNS-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1sccc1C 170312817 UEOCFOSNOHTTPT-LJQANCHMSA-N 443.565 4.587 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3ccc(C(C)C)cc3)nc12 170509563 BCFVHOYVUQOTEO-UHFFFAOYSA-N 425.492 4.985 30 10 IJEE COc1cccc(/C=C\C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1OC(F)F 209937610 ULIKCHYIBHRRKF-CKXPSTMWSA-N 427.234 4.998 30 10 IJEE CC(C)CNC(=O)c1c(N)n(N=Cc2ccc(C(C)(C)C)cc2)c2nc3ccccc3nc12 254346085 AOJZMGRCIZGGAF-UHFFFAOYSA-N 442.567 4.732 30 10 IJEE CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2N=C(C)c2ccccc2O)cc1OC 254756576 VIWVPWQVUAFPGG-XMMPIXPASA-N 431.492 4.790 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 460566558 LDGZUUJGUKGNOC-HXUWFJFHSA-N 447.495 4.542 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 477292553 NQIKIXOUSHTZGS-DLBZAZTESA-N 427.344 4.875 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(c2cnn(C)c2)CC1 508466220 TVGGMFWTWOQCJT-UHFFFAOYSA-N 434.588 4.592 30 10 IJEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1cccnc1 526820585 VDHIZLINHNTHSY-XKZIYDEJSA-N 430.375 4.953 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(OCC)cc1 526826376 PKCUEDALGNNMDU-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 558964474 CQEDJPIABDGGCE-MRXNPFEDSA-N 429.565 4.775 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(OC)CC1 575765527 VVGCCXDHESJZKZ-UHFFFAOYSA-N 436.531 4.855 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)NCCc3ccccc3)C2)c1 585932021 CKKFEKYUJVCFQG-XMMPIXPASA-N 448.611 4.671 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(F)(F)F 708544158 LAEQJVIPXDLPCP-HUUCEWRRSA-N 437.300 4.591 30 10 IJEE C=CCC1([C@@H](Cc2ccc(F)c(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 722905381 FZENBYZDENAHNV-QGZVFWFLSA-N 427.358 4.532 30 10 IJEE CC(C)CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1Cl 730716387 WMZZDDZUBFKMHC-QGZVFWFLSA-N 445.976 4.527 30 10 IJEE CC(=NNc1ccc(Br)cc1C(F)(F)F)c1ccc2c(c1)NC(=O)CO2 731486692 BBGUPZYZIHCJQE-UHFFFAOYSA-N 428.208 4.635 30 10 IJEE COc1ccc(/C=C(/C)C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1F 755051189 VNCOTYSFUKUKHL-CCAPLTMGSA-N 442.512 4.671 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1 778576853 MEBXOJBJJNMGNI-VWLOTQADSA-N 428.532 4.855 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)n1 788549131 RKNYZMHMIZIHKD-UHFFFAOYSA-N 448.592 4.965 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccc(Cl)cc1 810472026 AXGSMSPGIUFEGQ-OAQYLSRUSA-N 446.938 4.613 30 10 IJEE Cc1cc(C)c(CSc2nnc(NN=Cc3c(O)ccc4ccccc34)n2N)c(C)c1 1084219437 UXWCTAFTWDTZDJ-UHFFFAOYSA-N 432.553 4.514 30 10 IJEE CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3ccccc3[N+](=O)[O-])cc2)cc1 1084367503 QAUJVGJSUXELST-UHFFFAOYSA-N 425.466 4.545 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C)c1ccc(Cl)cc1F 1129615977 KWSYUFLEWIGJSJ-HTAPYJJXSA-N 428.935 4.837 30 10 IJEE Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C#N)n3)c3c(C)noc3n2)cc1 1130035930 CKCROXUDRNHLLI-UHFFFAOYSA-N 448.280 4.788 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(C)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1133163007 IITLHNGJNCBAMY-NRFANRHFSA-N 437.378 4.720 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1135399965 MNKQKUJKMTYTMP-RBUKOAKNSA-N 432.561 4.617 30 10 IJEE C=CC1(CC(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1138291925 ZOHQJAIDPKTGMM-UHFFFAOYSA-N 440.506 4.912 30 10 IJEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 1162146784 FISUQNSDRLLPQT-GCJKJVERSA-N 434.536 4.577 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nc2sccc2c1=O 1188282992 PZXKVZDFATZEGC-CQSZACIVSA-N 441.361 4.957 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C(C)C)nnc1-c1cccc(OC)c1 1188899126 GVYNSOSSBRCUII-UIFIKXQLSA-N 442.629 4.951 30 10 IJEE C#C[C@H](NC(=O)NCC1(N2CCCCC2)CCCCC1)c1ccc(Br)cc1 1210837566 RBPAFHAAHDZWQF-FQEVSTJZSA-N 432.406 4.611 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OCCOC)c(Br)c1 1220300119 XIGCPHZZQBDMFP-QGZVFWFLSA-N 433.346 4.783 30 10 IJEE C#C[C@@H]1CCCN(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1229373203 VARMXTNFYBJWBA-APWZRJJASA-N 427.545 4.691 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccc(F)cc1 1230478553 JWHUPULRVNXWBM-NHCUHLMSSA-N 443.563 4.567 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(OCC(=O)NC)c(OC)c1)c1ccc(Cl)c(Cl)c1 1270228345 LPYNSNFBFQOJCX-QGZVFWFLSA-N 438.307 4.601 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)C(F)(F)F 1286402937 ZJQKGISZJPNSJC-UHFFFAOYSA-N 434.531 4.937 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1sccc1C 1286420385 PHQBPZTXGOZJCL-FQEVSTJZSA-N 448.592 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCC[C@@H]1CC 1286422947 GTQXPFINSAITEJ-VWLOTQADSA-N 445.655 4.970 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1286499033 CWBYDLOHUYESST-UHFFFAOYSA-N 446.567 4.726 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC1CC(F)C1 1286499972 XNCIRXUKVFOKGO-HJOIGYKYSA-N 432.634 4.682 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1286532309 AFCGGRJMKOXCID-MOPGFXCFSA-N 445.405 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(Cc1ccco1)C(C)C 1286557175 HEYBFZGOYSRPRH-YKSBVNFPSA-N 438.547 4.997 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cc(Cl)ccc1OC 1286559178 UUUVDDVRCSDVSU-HTAPYJJXSA-N 432.996 4.756 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN(CC)CC)C1 1286621410 HPPQVWCGORJFSL-OAHLLOKOSA-N 426.367 4.658 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H]1C 1286632477 ATYXDLIVBBYVCJ-GXTWGEPZSA-N 425.758 4.607 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1286680138 AJHSEGNKRISUFQ-ZEVJAHDQSA-N 438.616 4.772 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286691451 HKPMRAOZWPJWGB-DETIRCLXSA-N 426.630 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286746857 FJPMMYNHHPKHMH-IAGOWNOFSA-N 433.622 4.959 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1286748277 UTJIZPJIAMGNNP-NZQKXSOJSA-N 437.563 4.676 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1286770111 RTAPWMLLMUNNHY-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(Cl)c1 1286774623 YVQNPXCFAQRQGQ-GOSISDBHSA-N 445.995 4.868 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCSC(F)(F)F)C1 1286804278 KFPRPNUTQVXECA-CYBMUJFWSA-N 432.899 4.633 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)C1 1286814257 OMRNZOHBOPMMMN-PGRDOPGGSA-N 449.020 4.574 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1290123368 BJYCGKHXBPESDP-ISJBWFOZSA-N 434.632 4.752 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(Nc2ccccc2C)CCCC1 1297844523 FZYWRWSUIQOJMH-LJQANCHMSA-N 435.996 4.872 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CCC[C@@H]2C)c1 1300337150 ULUYYXWDJKMHPY-UGKGYDQZSA-N 433.600 4.503 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(Br)cs1 1300446586 LYIFMYKAUQGHIN-UHFFFAOYSA-N 439.741 4.679 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCO[C@H]1CCCC[C@H]1C 1300644122 RTRZKWQWHMOYIK-IRLDBZIGSA-N 426.630 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(OC)c(OC(F)F)c1 1300808137 SAQUHORUEVMPOA-XMMPIXPASA-N 444.526 4.661 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1300808498 NEEVDOOJCMWLIS-BKMJKUGQSA-N 449.574 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1300898620 YUIGZBKSXOBKAF-SKPFHBQLSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCn2ccnc2C1 1300905843 FVEAAJUYVPESGQ-INIZCTEOSA-N 428.943 4.599 30 10 IJEE C=CC1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(F)(F)Br)CC1 1301119115 WFNIXKVERWDLBB-UHFFFAOYSA-N 436.304 4.817 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 1301166206 RAODPKXQIHDUMM-XMMPIXPASA-N 449.643 4.674 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1noc(CC)n1 1301270457 HXMZGUXGKQTLGM-UHFFFAOYSA-N 428.949 4.624 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(OC)c1OC 1301279150 XMIJOJOCVIWZKA-INIZCTEOSA-N 438.597 4.819 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccc(C)s1 1301468746 OQBQAPNOBSUWDE-UHFFFAOYSA-N 433.375 4.812 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1303009055 DCZNWXGCDJIJQS-SJLPKXTDSA-N 448.398 4.933 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccc(Br)cc2C#N)C1 1308022762 RGFUZYDUCCLVFY-QFBILLFUSA-N 434.378 4.542 30 10 IJEE N#Cc1cccc(CN2CCC(NCc3ccnc4c(Br)cccc34)CC2)c1 1308450911 CKGYUPUBZXOAPR-UHFFFAOYSA-N 435.369 4.623 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 1309384485 HFAYGXZDQAZMHD-ICSRJNTNSA-N 433.371 4.559 30 10 IJEE CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C12CCCCC2 1310465710 CSGGUJRNGICQRA-VQTJNVASSA-N 441.963 4.989 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2cc(Br)ccc2F)C(C)C)cc1 1312735773 DEEJKKDNIMIQKV-UHFFFAOYSA-N 433.321 4.720 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCc2cc(Br)c(Br)cc2C1 1313064176 JAUCHOOCTDESBP-UHFFFAOYSA-N 430.184 4.882 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2cccnc2SCc2ccc(Br)cc2)C1 1320925322 RUCDIWVNVAJLJI-QGZVFWFLSA-N 433.371 4.554 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Br)cc(C)c1C 1353817374 IXQYOTOPBCHKNH-UHFFFAOYSA-N 433.298 4.809 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CCOCC1 1359073606 XURPSKJHRLVUKT-AREMUKBSSA-N 436.600 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(F)c1 1359108612 VMWNCLCPFVDJGO-UHFFFAOYSA-N 432.341 4.820 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCn2ccnc21 1359116124 YVWHUNJWDJRWMR-NRFANRHFSA-N 434.588 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1359116428 KRMJNCNKXYACJB-QHAWAJNXSA-N 431.669 4.720 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(F)(F)F 1359128554 XORXBZCJXWJKKX-AWEZNQCLSA-N 428.524 4.723 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@H]1C 1359262398 RZWUBGSMEXOTKN-CABCVRRESA-N 446.418 4.956 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3(c4cccs4)CCCCC3)CC2=O)cc1Cl 1360632890 DACFNCRUNYLWCS-KRWDZBQOSA-N 441.984 4.644 30 10 IJEE C#CCOc1cccc(OC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 1435080359 JFCVDJTXSVUHIF-UHFFFAOYSA-N 437.521 4.753 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(Oc3nccs3)cc2)CCCN1C(=O)OC(C)(C)C 1435322503 IHRLPZJNGFOTLE-JOCHJYFZSA-N 428.510 4.634 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)nnc1-c1ccc(Cl)cc1 1435686506 VRNOCWYAYZTWBQ-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE C#CC[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 1438151050 DLIPLLLRWREIPM-OJLMNSMJSA-N 439.559 4.556 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(OCCCOc2ccccc2)C1 1445094523 VJYBNOGJPKEFNX-UHFFFAOYSA-N 435.442 4.580 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@H](CO)c1ccccc1I)c1ccccc1 1456982397 DMDBNCPNRUJAGR-YLJYHZDGSA-N 449.332 4.581 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1ccccc1 1462500066 AXTVDKDUOKAYBZ-QHCPKHFHSA-N 426.582 4.735 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C4NC(=O)OC(C)(C)C)cc21 1463118598 DHHSBEAJEVCAEV-YZKRDWPBSA-N 438.572 4.880 30 10 IJEE C[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 1467729957 FOUUIXKSKGGWSK-MRXNPFEDSA-N 448.473 4.578 30 10 IJEE CN(C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1 1469883819 HGOSVQZVDGTRRJ-FDFHNCONSA-N 444.501 4.789 30 10 IJEE CCOc1ccc(Br)cc1CN(C(=O)NCc1ccc(C#N)c(F)c1)C1CC1 1470521556 BHDMRUSPWXBXGG-UHFFFAOYSA-N 446.320 4.733 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1)c1ccc(Br)cc1 1470663774 RMFCPRIVEKBIIZ-FCHUYYIVSA-N 440.385 4.742 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1474731458 JHSOLWIFKGKDRK-VXGBXAGGSA-N 447.753 4.955 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC1(c2ccccc2Br)CCC1 1476223887 KHRYCBMUGMEKTG-UHFFFAOYSA-N 431.305 4.844 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)c1ccccc1 1476486310 GITSWUKWTZELRE-IBGZPJMESA-N 445.361 4.510 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@]1(CO)CC[C@@H](C)c2ccccc21 1476730205 ZNPGSGPOQQOGNG-QRQCRPRQSA-N 445.357 4.921 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)cc(OC)c1OC 1477161586 MGTGNGBQGDYWQR-QFIPXVFZSA-N 434.458 4.636 30 10 IJEE CCO[C@H](CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)C 1502577522 AZJAEWIJZKHJPY-UEVCKROQSA-N 439.604 4.692 30 10 IJEE CO[C@@H](C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C#N)CC1 1503928887 BIGGUXYZIRNRIJ-HNNXBMFYSA-N 425.533 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@@H](C)C1 1507795184 HFVBUPZHZRRUST-RRPUWOKSSA-N 438.616 4.839 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1507851867 ZOXUDZGOJYDAJM-UHFFFAOYSA-N 426.351 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1507915402 XHVRBSLWCQXQRI-UHFFFAOYSA-N 427.618 4.527 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCc2ccccc2F)CC1 1507948924 XIQQWZJLVHOUIU-QFIPXVFZSA-N 428.552 4.811 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccsc1 1507959353 OZVIGYMPUSYTGY-HXUWFJFHSA-N 439.541 4.849 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507974295 FXQFHKOJFBSWDM-PMACEKPBSA-N 439.648 4.753 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCOC2(CCCCCC2)C1)C(C)C 1508014526 VJIOWMNVDJRXFJ-QHCPKHFHSA-N 441.664 4.784 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N(C)Cc1cc(OC)ccc1Br 1508146689 AYIGSJQZFSEOEB-UHFFFAOYSA-N 439.423 4.728 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1510303479 GEKDHOPIKYTUFS-GOSISDBHSA-N 447.505 4.537 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1513200714 DNNJOJWHGKCEOJ-JTOYRKQZSA-N 436.648 4.926 30 10 IJEE C#CCN(C(=O)[C@H](C)Cc1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1521820194 YMMNJQANSFGUNN-UTKZUKDTSA-N 426.354 4.922 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 1527423073 LEZKVHYGUUJCDR-UHFFFAOYSA-N 435.483 4.526 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1 1529136171 MVHKQBRESLEPDM-KSZLIROESA-N 447.000 4.838 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(C(=O)OCC)nc3ccccc23)cc1OC 1534113870 FEENJAGXBFGGIU-ACCUITESSA-N 432.476 4.637 30 10 IJEE CCc1ccc(CN2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)cc1 1536906444 AONXORPWOAEBQE-UHFFFAOYSA-N 439.559 4.658 30 10 IJEE C#CCN(C(=O)CCOc1ccc(Cl)cc1)[C@H]1CCOc2ccc(Br)cc21 1538197818 CGCUNVIFMLWJLP-IBGZPJMESA-N 448.744 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[C@@H]1CC 1539013537 NGZZRSKGTOBMDF-IRFCIJBXSA-N 443.636 4.677 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[C@H]1CC 1539013541 NGZZRSKGTOBMDF-QKNQBKEWSA-N 443.636 4.677 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1539608588 AAARZVDFSYCONQ-CJNGLKHVSA-N 425.371 4.582 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCc1cccs1 1539736148 TYFQFFVSXYNCAH-UHFFFAOYSA-N 433.581 4.826 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1539894133 AOZIEKYXQSJECD-DVECYGJZSA-N 427.662 4.843 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCC(C)CC2)CC1 1539896617 POGWPGBHQXJMLJ-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1539918235 KNMNGSAUULTSTP-FQEVSTJZSA-N 443.661 4.719 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCC2(CCOCC2)C1 1540020033 GLEBZYSLBAABOY-HSZRJFAPSA-N 438.616 4.810 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCN(C2CC2)C1 1540046900 AYDMAVDFLZFOAP-RTBURBONSA-N 444.023 4.795 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC(C)(C)SC 1540121726 MDULJYOQSFXQSF-UHFFFAOYSA-N 432.597 4.854 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)on1 1540181986 DZQCFKCUOJCQSI-DHIUTWEWSA-N 449.599 4.777 30 10 IJEE C=CCC1(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CCOCC1 1540212915 KBNUXRXNCQXREG-IBGZPJMESA-N 435.490 4.624 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCOC)Cc1ccc(C)o1 1540855010 UCIRJOIANLYUAN-MRXNPFEDSA-N 426.586 4.872 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2CC(C)(C)C2)C1 1540886873 KRROQSGHYIKUAJ-SFHVURJKSA-N 430.980 4.825 30 10 IJEE C#CCN(CC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)C(=O)OC(C)(C)C 1545421874 PQDXOSCERTVDMV-CQSZACIVSA-N 447.988 4.819 30 10 IJEE C#CC[C@@H](NC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1)C(=O)OC 1556971204 RYXJBPZILISYEG-YHBLIXGUSA-N 445.540 4.549 30 10 IJEE C=CCn1c(S[C@H]([C@@H]2CCOC2)C(F)(F)F)nnc1-c1ccc(Br)cc1 1559333821 JAKRPFCTCWQNQJ-TZMCWYRMSA-N 448.308 4.953 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@H](C)Cc3cc(F)ccc3[C@H]2C)n(Cc2ccco2)c1C 1559658258 DQFCEDQFKSUJKC-CRAIPNDOSA-N 434.515 4.703 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1OC 1560446515 OTKXLVDIQSTFCX-HRAATJIYSA-N 433.390 4.804 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccccc1 1562369985 AIYLKLJQWAPQLE-GMAHTHKFSA-N 442.581 4.858 30 10 IJEE COc1cc(CN(C)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c(SC)cc1OC 1564945921 ICBCIOWBMFUQNO-LJQANCHMSA-N 425.554 4.516 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 1564998719 AUSHYCQSYGSJPP-PKTZIBPZSA-N 449.348 4.823 30 10 IJEE C=C1CCC(CNC(=O)N2CCN([C@H](CC)c3ccc(Br)cc3)CC2)CC1 1565322111 VVOSXSHIBKGCKF-OAQYLSRUSA-N 434.422 4.974 30 10 IJEE C#C[C@H](NC(=O)c1c(Cl)ccc(I)c1F)c1ccc(Cl)cc1 1583548881 CHTYTDFSZJHXOX-ZDUSSCGKSA-N 448.062 4.841 30 10 IJEE C#C[C@H](NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)c1ccc(Br)cc1 1584708106 KTHBZBRLRKLAFE-KRWDZBQOSA-N 446.707 4.840 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(OCc3noc(CC)n3)cc2)C(F)(F)F)cc1 1587315757 WLFWDRGIGGAHCA-FQEVSTJZSA-N 430.382 4.653 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1587773157 CANDXXSYAKBPMZ-LJQANCHMSA-N 430.531 4.657 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1587872612 OBEDZRUJTHRDKR-UHFFFAOYSA-N 442.535 4.670 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCO[C@@H](C)C1 1588284639 XKHDVINUKVCCMM-RBUKOAKNSA-N 426.630 4.940 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1589097836 ZNYDBXRYLZVEQB-UHFFFAOYSA-N 434.993 4.726 30 10 IJEE C#CCSCCn1c(N2CCC(C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1589125461 LHVIPZJTIRNVSV-UHFFFAOYSA-N 448.558 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cl)cc1OC 1589178094 QZTZTKXJUIPNNZ-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)F 1589530175 SHMCOCXUTHQYPX-LAUBAEHRSA-N 443.498 4.673 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1589721814 DLRCSRSHTHBNBR-ZWKOTPCHSA-N 432.515 4.766 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OC(C)C)CC1 1594569089 YCLUOSUXORNHPA-UHFFFAOYSA-N 439.604 4.897 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1594650933 DDHTXIJSVMOJFU-QAPCUYQASA-N 442.457 4.509 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1595070843 OWMRXRMXLMCWEC-RKCWLVDCSA-N 443.680 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1c(F)cccc1Cl 1595156036 DXRUBUAIRTVLPO-UHFFFAOYSA-N 440.935 4.830 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)Cc1ccc(Br)cc1Cl 1595534505 HXNSBCJCZJTERD-UHFFFAOYSA-N 429.705 4.650 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1611462276 KHZCZRCUEBTYBD-UHFFFAOYSA-N 449.514 4.835 30 10 IJEE COc1ccc(/C=N/N=C2/S/C(=C/c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 1615300743 NSVAZYONSXKEMP-WTGMLGSZSA-N 447.516 4.803 30 10 IJEE C=CC[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccncc1 1617750072 PKNDXEFLVSILQS-SFTDATJTSA-N 439.556 4.870 30 10 IJEE Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)c(C)c1 1625368188 HGPDDMADRQPPHI-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 1626836877 RYTVSNKTIZDKCW-MOPGFXCFSA-N 444.963 4.783 30 10 IJEE C=C(CC(C)C)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1629477726 TZBGUTWCLHKKGQ-UHFFFAOYSA-N 434.945 4.537 30 10 IJEE C=CC[C@@]1(C(=O)NCC(=O)c2cc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1632772873 YAOLHOZSLOMMBX-QHCPKHFHSA-N 428.554 4.546 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@H]3CCCC[C@@H]3c3ccccc3)CC2)c1 1635281050 CVTFYVSTTABUJP-AOYPEHQESA-N 430.596 4.796 30 10 IJEE C=CCC[C@H](NC(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1)c1ccc(C(F)(F)F)cc1 1638506162 ALWZFORYYMSKCC-QYZOEREBSA-N 427.463 4.530 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)OC)c2ccccc2c1 1644219187 IIEJRTWKHZQSEU-GOSISDBHSA-N 432.904 4.601 30 10 IJEE C#CCN(Cc1cncc(C(F)(F)F)c1)[C@H]1CCOc2ccc(Br)cc21 1644632380 UMSHTKQVSXFXBG-KRWDZBQOSA-N 425.248 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C(CC)CC)N(C)C 1649540404 VPRXHDSDAQZLRE-OXJNMPFZSA-N 446.437 4.532 30 10 IJEE C[C@H](Sc1nnc(O)n1CCc1ccccc1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 1656035973 QXKZGFNFKJFPJV-JMMZKRSASA-N 448.592 4.588 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(C)cc(OC)cc1C 1659955431 DAOAQDNILCNJCC-UHFFFAOYSA-N 442.350 4.591 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 1661115426 FWGAOURAWUIRNP-UHFFFAOYSA-N 448.935 4.543 30 10 IJEE N#CCCN(Cc1ccccn1)C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 1663963061 GOYSBKBKMUPDDK-UHFFFAOYSA-N 432.431 4.567 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1)C(C)C 1666119013 IRAUHPFUJHRMQV-QHCPKHFHSA-N 426.605 4.523 30 10 IJEE COc1c(Cl)cc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1Cl 1668612875 AWVUYUSPXJPOGT-UHFFFAOYSA-N 439.730 4.881 30 10 IJEE CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1668990980 ATWNMCBBLOWQOM-NRFANRHFSA-N 447.970 4.613 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 1673096620 FXCXVGXVRUHFHW-YLJYHZDGSA-N 426.561 4.583 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)C1 1674868773 QEQCCCQZGQWHRX-CYBMUJFWSA-N 439.425 4.579 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)C(C)(C)C 1675399034 MILURNPUBXYKTO-TZIWHRDSSA-N 430.017 4.848 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(CC)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)C1 1676030834 JOSYDCXCPJNKOA-SANMLTNESA-N 447.623 4.820 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(Cl)cc1 1679826142 IQQWICVLTQQCFJ-XLIONFOSSA-N 433.886 4.584 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C)[C@@H]1CCOc2ccc(Br)cc21 1681153398 JHLLWPXIGAUPHN-RLLQIKCJSA-N 449.389 4.510 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc(Br)cc1 1682149999 KXZMFSRCWZSZHM-INIZCTEOSA-N 447.201 4.920 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 1683289293 RXNYHACQWBBLSN-UXHICEINSA-N 437.367 4.562 30 10 IJEE C#CCN(C(=O)N[C@@H](COC)c1cccc(Br)c1)[C@@H]1CCCc2ccccc21 1683576494 UGZDPUKHLCXGCI-FCHUYYIVSA-N 441.369 4.859 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1685913927 QBTWVNUZDQRRBT-NRFANRHFSA-N 445.485 4.594 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1Cl 1689915363 YZVUJLGOXPWIHT-UHFFFAOYSA-N 446.780 4.749 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCc2cccnc21 1690059659 VCXGZSKLTZWVMU-QUCCMNQESA-N 433.531 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)c1nc(C)cs1 1690062680 YYRODVBYUBMDCW-CQSZACIVSA-N 431.512 4.575 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccc(C)s1 1690163907 VLYOKDKVTXVSQN-UHFFFAOYSA-N 447.029 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1csc([C@H](C)OC)n1 1690198257 IMIHUGGPAFBPJK-BXKMTCNYSA-N 435.597 4.712 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1690229291 SBBRRYXHWOFLIJ-GOSISDBHSA-N 445.405 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)CCC 1690238982 PXJMZPYZLZWYIS-MJGOQNOKSA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccccc2N2CCCC2)nnc1C(C)(C)C 1690252500 FPSBSVWECXHGBJ-GGAORHGYSA-N 437.632 4.793 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCC[C@H](C)C2)CC1 1690365893 KDDSGWXMIGTQHJ-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)C(C)C)CC1 1690406673 OCNQQDBWQOGGPW-OAQYLSRUSA-N 433.394 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1690422425 OGTLHWVZNCMCEC-AZUAARDMSA-N 444.645 4.966 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2csc(C)n2)CC1 1690422556 SGAVEMJZXUVETG-UHFFFAOYSA-N 440.617 4.536 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690532517 POVZOIDLKXHNAQ-NFBKMPQASA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1Cc1ccc(F)cn1 1690579572 NYOXQWPUTRIHLH-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([S@](C)=O)CCC1 1690586487 OJOJWRUKGLUTCD-PMERELPUSA-N 426.630 4.722 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(Cl)nc1 1690605282 DEXCLFHTSAFOIQ-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CC(C)(C)C2)C1 1690686606 QNNGHKVIBWYYHX-IEBWSBKVSA-N 428.552 4.775 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C)s2)C1 1690712290 RRLOGUOKPUKXCH-FQEVSTJZSA-N 438.597 4.673 30 10 IJEE 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1870791783 MNHGPUUMANYLOF-UHFFFAOYSA-N 430.589 4.981 30 10 IJEE COc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCC(C)C)c1 1871255012 PTOSWNCWCUBBPY-UHFFFAOYSA-N 431.536 4.966 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871430340 HQDJXCPXCABOMS-BKUYFWCQSA-N 438.480 4.547 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)CC 1871838731 RXOXSVBTALRPGU-QFIPXVFZSA-N 430.570 4.670 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872157883 QGRPRQLWUJETDH-QFIPXVFZSA-N 429.586 4.765 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872413945 UGODNWGNUDVTMN-OAQYLSRUSA-N 446.638 4.549 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872456519 IZJCCTJDUODFDA-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872479074 LDKBFIVOEYVNAX-HSZRJFAPSA-N 428.598 4.850 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874201504 FIWBZUCFZDSTDM-YDZHTSKRSA-N 439.541 4.975 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(OC)c1 1874209449 JNJVSHFVWQYZKZ-HYARGMPZSA-N 443.370 4.800 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c1OC 1874460735 CVGFKKKXCXRNTM-YSURURNPSA-N 440.422 4.628 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1c[nH]c2ccccc12)Nc1ccccc1F 1874493307 FXZYTENSNJTQIX-LGJNPRDNSA-N 448.527 4.779 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)c1 1874573607 WSGCILUMZDYGBU-NTEUORMPSA-N 435.451 4.757 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1Cl 1874608171 ZSXJZVCXSRZBQA-YCRREMRBSA-N 436.733 4.904 30 10 IJEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)c1 1874618300 UCIDSBDVJAYOCY-ZRDIBKRKSA-N 436.508 4.935 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)C(C)C 1874693272 WXIVENACGJCQGF-BQYQJAHWSA-N 448.269 4.823 30 10 IJEE Cc1csc(COc2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)n1 1892392285 JRCCSSVEWGUHLV-UHFFFAOYSA-N 433.533 4.586 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 1983329118 GLGBCRLUTDTDCB-WFXMLNOXSA-N 429.479 4.556 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2060625133 HFGHZTYNGFVHIL-QGZVFWFLSA-N 430.354 4.732 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCN(Cc2ccccc2)C(C)(C)C1 2079248072 CTAGOZURDFTMNX-IAPPQJPRSA-N 436.640 4.933 30 10 IJEE CCc1nn([C@H](c2ccc(OC)cc2C)C2CCC2)c(I)c1C#N 2079843306 FBBGXRDQBSLGOE-SFHVURJKSA-N 435.309 4.628 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](Nc2ccc(C#N)cc2Br)(C(F)(F)F)C1 2105981967 TYAWFWHWKLYKAM-MRXNPFEDSA-N 434.256 4.675 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)c(N(Cc3ccccc3)[C@@H]3CCOC3)c2)OC1(C)C 2116144436 FOTNUOSDACPNDX-LJQANCHMSA-N 447.306 4.800 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2Nc2ncc(Br)cc2C#N)C1 2162310504 QHQFPIJDMPJPFH-JXFKEZNVSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)C[C@H]1CC(F)F 2177298993 WYCVUOWIDHOKDH-GFCCVEGCSA-N 448.283 4.541 30 10 IJEE C#Cc1ccc(CNC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2180049977 ZUMLYVOQHFKMSC-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1C#N)[C@@H]1CC=CCC1 2196086048 QHKBIDWSUYXBDC-DYVFJYSZSA-N 434.334 4.509 30 10 IJEE CCN[C@H](C#Cc1ccc(Cl)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216981355 MPBWDXJIMYBNGC-DHIUTWEWSA-N 442.987 4.780 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@@H](N)C#Cc1ccccc1Br 2235716049 DMYBISCIEMXQPY-QUCCMNQESA-N 435.406 4.849 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1C=CCCN1C(=O)OC(C)(C)C 2235727169 GADQGZHERXECLM-VQTJNVASSA-N 433.390 4.734 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237418028 DGTDUALKPCLGPG-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 2249564687 VXMAWMIEVODVBQ-RSQQPWMTSA-N 431.508 4.716 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)C#CC2CCCCC2)C1 2251386224 IFTXOJATJLKTHZ-SANMLTNESA-N 425.569 4.983 30 10 IJEE C=CC[C@](C)(OCCN)c1sc(Br)c(Br)c1Br 2252181520 MFPIWTJOIQWIED-NSHDSACASA-N 448.018 4.802 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2258100846 CILQIVATQVXCGS-UHFFFAOYSA-N 443.755 4.997 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2261830576 YBDCNNXMDKRBSS-RBBKRZOGSA-N 447.572 4.655 30 10 IJEE CC1(C)OB(c2c(F)cccc2C(=O)N(Cc2ccccc2)Cc2ccco2)OC1(C)C 2266984895 YVYLCUVMAHLBLM-UHFFFAOYSA-N 435.304 4.561 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)CCC2 2267101717 ZSAZKHOFMLSGON-ROUUACIJSA-N 442.365 4.795 30 10 IJEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 2267192429 QQCJNIVXNJAXGH-IBGZPJMESA-N 436.405 4.809 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cc(Br)cc(OC(F)(F)F)c1 2272998556 HZPPSAFOZVMARQ-KGLIPLIRSA-N 440.256 4.851 30 10 IJEE N[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 2278816044 NQLNWZGUZZFLHT-DHIUTWEWSA-N 449.348 4.796 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2296223941 FPPBZPWXEXVNDO-ILZDJORESA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CC[C@]1(C)NC(=O)OC(C)(C)C 2296307946 ARBJLSPYSZOAJS-COPCDDAFSA-N 435.406 4.862 30 10 IJEE CCCCOc1ccc([C@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 2297743604 MQCUWRSWRQLYLR-NRFANRHFSA-N 436.464 4.690 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2305318892 HXDGERGABWNEQT-TYBLODHISA-N 428.573 4.555 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NC[C@]2(C)CCCN2Cc2ccccc2)OC1(C)C 2317223500 CGPAYTOUYHAZMS-DEOSSOPVSA-N 441.812 4.501 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)C=Cc3ccccc3Cl)nc12 2320450719 JFMJKEVHQDVAGH-UHFFFAOYSA-N 443.894 4.915 30 10 IJEE COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1cccc(C)c1 2322474992 DYHQXTOSYFLFEP-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2322687812 XKLJYUBDQNRGIF-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1 2323702166 TUGHTPVDWALVRE-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2c1C(=O)C(=Cc1cccc(F)c1)O2 2324169521 YKPNLJHCIFSNLC-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)cc1 2325744518 MTVXDBGXMFRJAL-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)Cc1ccccc1F 2325744710 NMYXCVRYFBPREB-UHFFFAOYSA-N 448.446 4.650 30 10 IJEE CCCOc1c(OC)cc(C=Nn2cnnc2SCc2ccccc2Cl)cc1OC 2326532760 WLYQJRXVDVTTLB-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2328796770 JHLREVZKLOUILL-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(C(=O)OC)o2)cc1 2330839705 PNAJHXYVSBDNFY-UHFFFAOYSA-N 440.569 4.983 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1O 2331000971 CIDYJSHLUVXVTN-IBGZPJMESA-N 444.944 4.672 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)c1 2331208504 ZLSAFFDXTWXEJS-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cccc(O)c1 2331334739 GXCJEWVLMKTGPT-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1F 2331467341 FVLWGCFEMOCVNI-UHFFFAOYSA-N 426.465 4.949 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CCC2)cc1 2331541566 FKJLAFPGFMUTHM-UHFFFAOYSA-N 444.601 4.898 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1c[nH]c2ccccc12 2331637733 OJWOAPCNVPCMNY-UHFFFAOYSA-N 432.553 4.633 30 10 IJEE CC1(C)OCCC[C@@]1(C#N)Cc1ccc(I)c(Br)c1 2349897981 FKIPFXVLQAJABZ-HNNXBMFYSA-N 434.115 4.695 30 10 IJEE CC[C@H](NC[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845218 ZBNQTLZXLOSVNA-DSBYRVASSA-N 448.460 4.795 30 10 IJEE CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(C)cc2)c2ccccc21 3041359 WXGLSDAFXXYTQM-VYIQYICTSA-N 428.561 4.795 30 10 IJEE N#Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)sc2c1CCCC2 20571131 IBVJTGYSAFJFPD-UHFFFAOYSA-N 437.546 4.552 30 10 IJEE COc1ccc(/C=N/N=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 33918903 RVQQFBBLHMORSP-UKAZCEGMSA-N 447.535 4.911 30 10 IJEE O=C1/C(=N\O)c2cc(Br)ccc2N1Cc1ccc(OCc2ccccc2)cc1 39854068 NNBIMJBQTWPJFL-FLFQWRMESA-N 437.293 4.753 30 10 IJEE C=CCc1ccccc1OCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 40199318 JTDMAKNMMKWKLB-UHFFFAOYSA-N 425.532 4.816 30 10 IJEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 41661269 QTHGQFWBJTYDPD-QFEZKATASA-N 441.483 4.816 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 59040215 PHIFSEHQMPRRNW-UHFFFAOYSA-N 446.886 4.940 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cccc(C(=O)O)c3)[C@H]2c2ccc(Cl)cc2)cc1 102495009 FUDKYUROYRNCIQ-AGGMBTAESA-N 447.874 4.973 30 10 IJEE COc1ccc(CC/N=C\c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)cc1OC 107079186 FNEISJGMBWMEQG-WGARJPEWSA-N 431.414 4.967 30 10 IJEE C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1[C@H]1COc2ccccc2O1 115183382 AAPPVBXHQWSGTJ-HNAYVOBHSA-N 447.520 4.880 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 169936511 OCSFVFTUUWAULP-XMMPIXPASA-N 436.577 4.841 30 10 IJEE COc1cccc([C@H]2NC(=S)NC3=C2C(=O)CCC3)c1OCc1c(F)cccc1Cl 169939132 BRFHRZAXAGYYRQ-HXUWFJFHSA-N 446.931 4.593 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)cc1 169988333 SMZUYRNMRCGWQX-LJQANCHMSA-N 427.428 4.818 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccnc2)c1 170000561 BKMBDQGQIVRWOZ-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143453 WXLGJUPZYLZHAJ-VWNXMTODSA-N 449.547 4.787 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccs2)c1 170157600 RTGLMAXZNOBFMD-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 170235091 VJEOKKXFFZZXRK-JOCHJYFZSA-N 447.874 4.894 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)cc1OC 170259815 NEBHJAASFLQSMZ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(O)c1 170264153 UULLCTQIEVBJGY-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265976 NYYVHYGVOXKPHP-VWNXMTODSA-N 449.547 4.794 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 437386763 SKPYVPZBACNBMU-IBGZPJMESA-N 439.516 4.563 30 10 IJEE COc1ccccc1[C@@H](NC(=O)c1cc(C#N)c(SC)nc1O)c1ccccc1Cl 439830495 OTQDIAUDFRBIFF-IBGZPJMESA-N 439.924 4.562 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1C#N 447238497 NWOSMANIVNLSLB-JTQLQIEISA-N 444.969 4.957 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 465451154 ANZYEDWIPBBZNV-UHFFFAOYSA-N 443.507 4.817 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 508874626 RQELARPLPXYAMV-AZUAARDMSA-N 439.585 4.564 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(c2nccs2)CC1 509010435 GGMCQOZDPMMQTF-UHFFFAOYSA-N 448.365 4.873 30 10 IJEE C=CCOc1ccccc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 513121576 FXQOVNOBDCJRAM-UHFFFAOYSA-N 429.358 4.865 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccoc2)no1 520650809 SUNGLMHOVITMCM-UHFFFAOYSA-N 429.889 4.632 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)c(Cl)c2)c1 526514525 DOEYPLDNIKJWIT-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@H]1c1ccc(O)cc1 526608339 IBSZUDILACHOLG-QHCPKHFHSA-N 442.471 4.728 30 10 IJEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 526743797 FFOVWSGOVSEHFI-JOCHJYFZSA-N 449.409 4.673 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 549603274 GWFKAPPPYAQJBQ-JOCHJYFZSA-N 434.588 4.613 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC(c2nnc3ccccn23)CC1 582454938 WQBZCOXIZKAUOV-UHFFFAOYSA-N 449.562 4.635 30 10 IJEE CCOc1ccc(S(=O)(=O)OC2CCC(NC(=O)CCC3CCCCC3)CC2)cc1 586507229 GBNTWBIZLXGQQH-UHFFFAOYSA-N 437.602 4.579 30 10 IJEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCC2CCCC2)CC1 670229850 ACZNXTDZLHEZQC-QHCPKHFHSA-N 438.572 4.542 30 10 IJEE Cc1cc(C=NNc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1 727255607 QXBWVZYQGAWNMS-UHFFFAOYSA-N 433.480 4.545 30 10 IJEE C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740058856 DMGSVUJZVRUMCC-QGZVFWFLSA-N 442.548 4.770 30 10 IJEE COc1ccccc1N=C1SCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741171965 DQBPURUVFVUMDI-HUUCEWRRSA-N 436.455 4.960 30 10 IJEE COc1ccc(CNC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1C#N 767896672 XDXZPBWUAPDLGZ-GOSISDBHSA-N 432.293 4.515 30 10 IJEE C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)SC1=Nc1ccccc1C 799210709 CSSWFXDUSLZQAM-KRWDZBQOSA-N 446.359 4.895 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1ccc(Cl)cc1 811948418 FAPJFAAIKSILPH-LJQANCHMSA-N 432.745 4.641 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC2(CC1)OCCO2 812175501 GVAVIPZQZVAJBE-GOSISDBHSA-N 446.979 4.608 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc([N+](=O)[O-])cc1 917612966 IVSFMADDELMMDQ-UHFFFAOYSA-O 431.497 4.640 30 10 IJEE C=C(C)[C@H](O)CC[C@]1(C)C=Cc2c(cc(OC)c(C(=O)/C=C/c3ccc(O)cc3)c2O)O1 1077991935 UXOHDTSKWKSNCQ-JAGNOKMQSA-N 436.504 4.884 30 10 IJEE biogenic CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)SC1=Nc1cccc(C(F)(F)F)c1 1084099587 XBGPHFQIJZNBHH-QGZVFWFLSA-N 435.471 4.994 30 10 IJEE C=CC[C@@]1(C(=O)N=c2sccn2Cc2ccccc2F)CCCN1C(=O)OC(C)(C)C 1124540985 RYAZFQYJJHCUPQ-QHCPKHFHSA-N 445.560 4.510 30 10 IJEE Cc1cc(C#N)cnc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 1125052042 CMKYOXOQBNYEHR-UHFFFAOYSA-N 442.372 4.924 30 10 IJEE O=C(N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@H](F)c1ccc(C(F)(F)F)cc1 1126720161 CHYWYJPEIXMZLY-WMLDXEAASA-N 448.338 4.657 30 10 IJEE N#Cc1ccc(O[C@H]2CCN(C(=O)C3(c4ccc(Cl)cc4Cl)CCCC3)C2)nc1 1129456932 BUFYZDOZKVTMCC-KRWDZBQOSA-N 430.335 4.752 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCCN1CCCC[C@H]1C)c1ccc(Cl)cc1F 1129615979 KWSYUFLEWIGJSJ-VGOFRKELSA-N 428.935 4.837 30 10 IJEE CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1142234690 CIEMZEPBWNXRFG-XMMPIXPASA-N 442.519 4.813 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1-c1cccc(Cl)c1 1144141485 AJYHEYMKGROVPM-HNNXBMFYSA-N 425.316 4.500 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 1162667601 FNHOSIIMZOSXME-CYBMUJFWSA-N 445.441 4.516 30 10 IJEE COc1ccc(N(C(C)=O)c2nc(CN(Cc3ccc(C#N)cc3)C3CC3)cs2)cc1 1180317146 BXAWDGVYUYSTOM-UHFFFAOYSA-N 432.549 4.873 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 1202611804 MLXCMKZCKINCOB-UHFFFAOYSA-N 439.874 4.650 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1nccs1)c1ccc(Br)cc1 1221856924 IPXYKTKCMRODJQ-MSOLQXFVSA-N 426.339 4.669 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1cc(Br)ccc1OC 1221993247 XUNOPNLREPIKMC-IBGZPJMESA-N 443.341 4.516 30 10 IJEE C=CCC1(CNC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCCC1 1228270202 MWYONMJUPBKYDD-FQEVSTJZSA-N 435.572 4.688 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1286325490 VNKZHQHYCIAKCV-QFIPXVFZSA-N 438.547 4.562 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1286400689 DTYIVGQQRXSGIS-SFTDATJTSA-N 443.595 4.521 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=C)Br 1286519326 WGEDBRJAQCQUMD-PGRDOPGGSA-N 443.389 4.936 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1286542314 UODFVTQPQYZKDW-INIZCTEOSA-N 438.439 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)cs1 1286568485 ZSDONAJMWYMGRA-UTKZUKDTSA-N 443.642 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1286582706 CMSQRLDRRMEDDI-QPTUXGOLSA-N 437.632 4.833 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1286592101 JIJNGDLHFWOUBA-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1286611205 HMOVQMQEHMMWCH-FQEVSTJZSA-N 448.571 4.676 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1286647871 NOPRCDLDZUZEIA-PMACEKPBSA-N 428.024 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1286668693 SYRPVPMPPXTFNB-UHFFFAOYSA-N 446.599 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)c1ccccc1 1286671023 QVJPANKTGRDACB-GOSISDBHSA-N 435.572 4.848 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC(C)(OC)C1 1286708735 SEWPFMFGDUUAIE-UHFFFAOYSA-N 432.977 4.631 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC(C)(C)CN1CCCC1 1286738705 AGKAPUWJGLHIGT-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H]1C(C)C 1286740710 VDMLLHALVWJHSO-URXFXBBRSA-N 449.599 4.546 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC[C@H]1C 1286745456 UDKDOMZPZRYRFJ-UYAOXDASSA-N 440.588 4.935 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286755928 MVERGGFOXSJGGF-NHCUHLMSSA-N 437.632 4.574 30 10 IJEE C#CC[C@]1(C(=O)Oc2cc(Br)c(F)cc2C)CCCN1C(=O)OC(C)(C)C 1288469526 NTQWKTQJUGSPGO-HXUWFJFHSA-N 440.309 4.595 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccccc1 1290346857 PJAMTWUMQQRQGP-QFIPXVFZSA-N 434.536 4.733 30 10 IJEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)SC)C[C@@H]1C 1295974998 AJXWPQJXRIMOMZ-RBUKOAKNSA-N 440.661 4.657 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC1CC(F)(F)C1 1300292512 YYDQPOHARZHWND-MRXNPFEDSA-N 432.515 4.636 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)C1 1300341893 MKCKEJIGNXZFJN-MBSDFSHPSA-N 430.980 4.880 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnc(C(C)C)nc1 1300377249 UKCCGJAYAJMGED-NHCUHLMSSA-N 438.620 4.550 30 10 IJEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1300432125 COIJFTUUCKCSIE-FUHWJXTLSA-N 433.478 4.510 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCC1(C)C 1300579838 XRMIWCJKMFGMEZ-OAQYLSRUSA-N 427.552 4.889 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](SC)C1 1300882200 TVPRUBGBFQVLFV-JQVVWYNYSA-N 442.629 4.657 30 10 IJEE C=C(Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1301010433 LIOZQFCAIHXDLB-QHCPKHFHSA-N 446.542 4.514 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC(F)(F)C2)CC1 1301069925 HYWQXIVVHBSMOH-CYBMUJFWSA-N 426.309 4.628 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CCSC2)CC1 1301072994 UTYWVFVFLYLLNV-HNNXBMFYSA-N 449.418 4.626 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSc2ccccc2)CC1 1301110215 XYHTXTYMHICXTA-DEOSSOPVSA-N 442.629 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2ncc(C)s2)CC1 1301113814 GZHUWAITOKODNM-AWEZNQCLSA-N 428.993 4.965 30 10 IJEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC(C)C)C(C)C 1301150450 TXLZQXYMWUVEEU-UHFFFAOYSA-N 446.665 4.711 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCC(C)CC1 1301186739 HWPMETRHCPDHJA-UHFFFAOYSA-N 437.636 4.823 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1301207059 OZWJFDJSLWQSOV-QGZVFWFLSA-N 443.020 4.904 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)cc1OC 1301360015 UICMBMDWRPIXBD-UHFFFAOYSA-N 435.553 4.593 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1301383827 IYQKKBBOAJIMFM-UHFFFAOYSA-N 436.869 4.578 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCC[C@H]2C)C1 1301541642 AUJSCIUXNFOJHD-ZIFCJYIRSA-N 430.980 4.825 30 10 IJEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1306340276 BBORNWOTTTVRKY-MJGOQNOKSA-N 429.515 4.791 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CCCC3 1307261115 LUSSKVJZZUPVLH-OAHLLOKOSA-N 439.606 4.951 30 10 IJEE CCN1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C[C@@H]1C 1307516241 FFGYNCJIUTZVGM-OTWHNJEPSA-N 444.689 4.904 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccc(Br)cc1 1350657323 GPYZGSOXXPUDAZ-KRWDZBQOSA-N 430.302 4.525 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Br)c(SC)c1 1357294479 WRFAKEPRIDMLRI-UHFFFAOYSA-N 426.339 4.920 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCO[C@@H](C)C1 1358895781 QOTKHOSRYNPVHX-UFYCRDLUSA-N 445.007 4.525 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@](C)(CC)C1 1358933790 FKSMWWXIPRHYDV-NRFANRHFSA-N 431.378 4.659 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC=CCC1 1358970951 BMYPIBHKKAMMDX-HXUWFJFHSA-N 427.577 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1(COC)CCC1 1359063687 BCQJUHYNEHJTHJ-NTKDMRAZSA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H](C)c1ncc(C)s1 1359074218 VOSMMRXMYOAWQA-QMHKHESXSA-N 439.560 4.557 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(CC(C)C)CC1 1359123486 QSBXGSAXECNESL-UHFFFAOYSA-N 446.039 4.606 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359183943 YGBWDLFFMLCQCX-PKTZIBPZSA-N 448.615 4.524 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2ccco2)C1 1359212498 NQBFVQBWXXNAQR-IBGZPJMESA-N 443.345 4.845 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCC[C@H](C)C1 1359244989 YKEBWNJKZOCOAZ-INIZCTEOSA-N 438.403 4.518 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OC)cc1)C1CC1 1359247459 CJVBCDJQPCWZDH-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO1 1359262630 ZSLGXNRXFQEPMI-FXAWDEMLSA-N 442.560 4.990 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccco1)N(C)C 1359269290 VSZRTSVOXGNEOP-QFIPXVFZSA-N 428.540 4.568 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1ccc(Cl)cc1 1359284069 ONBOAFDWVNNTKW-UHFFFAOYSA-N 434.769 4.564 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1359765997 GKVKOPHASPNVCF-QFQXNSOFSA-N 445.615 4.600 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1)C(C)C 1359992849 GUQNRZAIFIOKJT-OAQYLSRUSA-N 427.618 4.885 30 10 IJEE C#CC(C)(C)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1360170228 GJAXKLNOROTAIT-WUKNDPDISA-N 426.516 4.880 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1360499161 BFTCLWBPMRFTBR-GOSISDBHSA-N 428.565 4.788 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)c(OC)c1 1439434395 HHKKEGKAFDUHOL-UHFFFAOYSA-N 434.467 4.515 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCC)c2ccc(Cl)c(Cl)c2)cc1 1442399856 YLSJCAQAEUBVTC-LJQANCHMSA-N 441.380 4.729 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)c1ccccc1 1456900558 YPZWHFFWNFNILB-SSEXGKCCSA-N 442.924 4.960 30 10 IJEE C=CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1458988787 AUNFENBNGIXHRO-VWLOTQADSA-N 430.548 4.897 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 1459709390 SNPFYXUVQGXWDZ-QHCPKHFHSA-N 432.486 4.912 30 10 IJEE CCC[C@@]1(C(=O)OCC)CCCN1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 1460036198 DVPMKPSQAPOXAM-SANMLTNESA-N 436.552 4.844 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OC)cc1OC(F)F 1460780829 JMSXBYMWYKUBRD-UHFFFAOYSA-N 428.229 4.876 30 10 IJEE Cc1cc(C(C)(C)C)cc(C)c1CCNS(=O)(=O)c1cccc(Br)c1C#N 1462730184 AKLRWIIZYPQSTJ-UHFFFAOYSA-N 449.414 4.756 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 1464272399 VOHWBGMAXGAEEC-ICSRJNTNSA-N 446.588 4.604 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)CCCCC1 1465046935 UZABIUJNSGWZHQ-UHFFFAOYSA-N 437.606 4.516 30 10 IJEE C#C[C@H](NC(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)c1ccc(Cl)cc1F 1467935312 PHBVAZRJADFRAP-NHYWBVRUSA-N 437.924 4.626 30 10 IJEE COc1ccccc1[C@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 1468723092 AIKORFXZWSWCHR-AREMUKBSSA-N 440.547 4.624 30 10 IJEE C=C(CNC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c1ccccc1 1470421046 VSDMBWNFSNZIIK-OAQYLSRUSA-N 427.589 4.767 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 1472628793 PYIRMKLYSGEGCF-OAHLLOKOSA-N 439.364 4.893 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CCOc1ccccc1C(C)(C)C 1473430370 BVXMVUWTCXBTGO-LJQANCHMSA-N 425.548 4.769 30 10 IJEE C=CCOc1ccc(CN[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cc1OC 1474154662 MAFOGZCYXVTWES-SFHVURJKSA-N 425.479 4.506 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1OC 1474729722 JVAUYTMDIIMYQA-CQSZACIVSA-N 427.854 4.712 30 10 IJEE CCC[C@@H]1CN(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)CCN1Cc1ccccc1 1477923796 FYWDBWVYXZHCCA-DNQXCXABSA-N 434.584 4.564 30 10 IJEE CCOC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H](C)CC#N)CCCC1 1502750409 BRRKVKQHMBISPJ-INIZCTEOSA-N 446.393 4.795 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CC2)C1 1503326530 DTURCRMGLSSEHQ-LJQANCHMSA-N 427.643 4.824 30 10 IJEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCc1ccc(Cl)s1 1503555713 GVXHYSUCFLJWAA-UHFFFAOYSA-N 441.988 4.637 30 10 IJEE COCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC#N)CC1 1504546988 AGMWKWXIYSRICN-KRWDZBQOSA-N 441.645 4.934 30 10 IJEE N#Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1 1505316799 HCBJIYPTZAQYIO-AZUAARDMSA-N 447.505 4.537 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nccn2C(F)F)CC1 1505323048 BPLQLGASOWQSRQ-UHFFFAOYSA-N 449.868 4.508 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507548071 ZGUGKFHYWDOTSO-DBXWQHBBSA-N 442.579 4.684 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nc(C2CC2)cs1 1507618971 SWSXJRZTHBQCMA-UHFFFAOYSA-N 448.379 4.616 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC2(CCC2)C1 1507746167 LXXGBYIACVTZFY-LJQANCHMSA-N 440.613 4.564 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](CC)C1 1507746853 UUTUTUUBAFSESS-OAHLLOKOSA-N 447.029 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](OC)C(C)(C)C 1507762146 PNEBXBUMYUIPTO-WMZHIEFXSA-N 430.980 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1507804110 JVQMZFCMMVOYEG-ZHRMCQFGSA-N 435.547 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CCC(C)C)C1CC1 1507807579 VZPOWRHLXKANLC-XMSQKQJNSA-N 429.634 4.630 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccn1)c1ccccc1 1507853181 ATHIKXSMQFOJEQ-UHFFFAOYSA-N 449.356 4.781 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cnccc2OC)CC1 1507889691 YHPFDOAJFKFHFS-UHFFFAOYSA-N 447.583 4.897 30 10 IJEE C=CCCOCCn1c(N2CCc3cc(OCC(C)(C)F)ccc3C2)nnc1C(C)(C)C 1507965976 JWPAEDZWWASMTP-UHFFFAOYSA-N 444.595 4.858 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCCN1CCC(C)CC1 1507998746 UAWXUOGUETUUQL-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H](C)c1nccs1 1508002257 CBMJDVXLEIUNQW-IBGZPJMESA-N 430.581 4.717 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccn(Cc2ccccc2)n1 1508005880 ANKIUCKPPQWDKZ-UHFFFAOYSA-N 432.597 4.949 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](OC)c2ccccc2Br)cc1 1517876704 BIRANOITEJEPSZ-FQEVSTJZSA-N 432.314 4.785 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)cc1OC 1518368535 HTAMBSSKSNIURW-DHDCSXOGSA-N 431.536 4.901 30 10 IJEE C=CCC[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1520010660 GUZMAHJSMRQMJN-XMMPIXPASA-N 440.609 4.618 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1 1521873404 HTAAIKKTMIOGAV-UHFFFAOYSA-N 431.879 4.728 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 1524971465 KSKKBEGQQRKJBQ-UHFFFAOYSA-N 432.499 4.584 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(SC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1525464905 BCALPPPCRCKLCI-LJQANCHMSA-N 429.460 4.997 30 10 IJEE C#CCN(C(=O)/C=C/c1ccc2[nH]ccc2c1)[C@H]1CCOc2ccc(Br)cc21 1531552698 FVDCUYRUPFTQEM-VPVJOJIASA-N 435.321 4.929 30 10 IJEE C[C@H](OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 1531747254 GVSIGYMPVBDXCG-KXBFYZLASA-N 434.414 4.800 30 10 IJEE C=CCC[C@H](NC(=O)CCOc1ccccc1I)c1ccccc1 1536283099 MGQHVCHMKMINEO-SFHVURJKSA-N 435.305 4.884 30 10 IJEE C=CC[C@H](C(=O)N1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1)c1ccccc1 1536604926 YRYPYDRROVRAQZ-FQEVSTJZSA-N 426.582 4.769 30 10 IJEE C=CCC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCOCC1 1538510988 ZQPRPEBMEKWDAZ-UHFFFAOYSA-N 435.955 4.977 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1539094737 URYBYRIGSZFMHB-ICSRJNTNSA-N 442.991 4.738 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CC(C)C)CC1 1539249724 ARXDJDLOPWHMKB-UHFFFAOYSA-N 443.364 4.746 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1c1ccco1 1539504452 HCABKKWZZWCZPT-SFHVURJKSA-N 442.972 4.908 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C)C1 1539624732 VSQWYPNLECWDOA-VCBZYWHSSA-N 436.984 4.661 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCSC2)CC1 1539835946 JLKXJPYDKJHVBG-ZDUSSCGKSA-N 425.421 4.679 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1539888900 VSBWOJREPOKRSP-HXUWFJFHSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1539902412 GZQNRZARRYQQMN-FSSWDIPSSA-N 435.616 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539926793 WEYUPTZIICUBLS-UHFFFAOYSA-N 441.645 4.637 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1539982478 WSEVQBSTSMPKNP-GOSISDBHSA-N 444.023 4.942 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1540020335 IQNSAKVECTULDP-UHFFFAOYSA-N 446.542 4.952 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1Cc1ccnc(SC)c1 1540137939 WZQLROWLVWDQOZ-UHFFFAOYSA-N 425.577 4.974 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCC(=O)NC(C)(C)C 1540140653 QGUUXUKEEYQQCJ-UHFFFAOYSA-N 437.613 4.812 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCC 1540394216 VYTYRPCLCGMGJI-JOCHJYFZSA-N 426.944 4.953 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1540817146 IBVIKRMVWCWSQJ-UHFFFAOYSA-N 449.979 4.574 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCC(OC)CC2)C1 1540886217 YFXQNIXHHMTHTH-JITJBCMDSA-N 430.980 4.585 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1C(F)(F)F 1540919390 PKOSUMPGHPXSCA-UHFFFAOYSA-N 447.530 4.838 30 10 IJEE CC(C)C(=O)Nc1ccc(Cl)c(C(=O)OCc2cc(Br)cc(C#N)c2)c1 1542548333 CMFWCPUOQMRPFB-UHFFFAOYSA-N 435.705 4.926 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1543883778 BWUSWFZAJMBHBD-GOHWNWGWSA-N 447.631 4.599 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1544279232 DHVGNERQMCLRGO-UHFFFAOYSA-N 427.439 4.940 30 10 IJEE C=C[C@@H](CC)CC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1558881335 AVMCENJARLLDEB-ICSRJNTNSA-N 428.573 4.998 30 10 IJEE CC(C)COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccco1 1559735194 HGGLWHNBTHWXIM-APWZRJJASA-N 429.586 4.670 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccccc1 1562296826 HFTKXXCJWMDSAB-UTKZUKDTSA-N 449.942 4.849 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)C(C)C 1562313865 INIYDUUEVYNLNZ-JOCHJYFZSA-N 442.604 4.804 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1ccccc1 1562322356 WDZKEGQFMNRZGE-QINHECLXSA-N 431.458 4.815 30 10 IJEE C#CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccccc1 1562405298 SOXJSBQNQIENBW-QHCPKHFHSA-N 439.581 4.526 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1 1564734735 PACPRXDXJQQPKU-UHFFFAOYSA-N 435.749 4.935 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 1587549348 IYPKGUUTMXYDRQ-GOSISDBHSA-N 432.486 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OC(C)C)nc1 1587593839 NWVHDBAQYNGRIW-HNNXBMFYSA-N 444.366 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CC(C)C)C1 1589502845 AFIPYTHBHYZCAV-DSKINZAPSA-N 429.996 4.847 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1593711834 JRTAMMLXECLORF-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCCCC1 1593717065 BHEWGBSBYBNIJG-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(Cc2cscn2)CC1)c1ccccc1 1594536425 YCBAVNRHRIAFQU-OAQYLSRUSA-N 436.629 4.540 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)=C(C)C1 1594797579 CSBSVCHFFSHIOB-UHFFFAOYSA-N 449.368 4.986 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC(C)CC1 1595075590 ILVZPESJOOGNHA-OAQYLSRUSA-N 448.615 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccsc1 1595141507 ICMHMKPRISOUPT-JOCHJYFZSA-N 444.626 4.683 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cccc(N2CCCC2=O)c1 1595243616 CDOYVHZIJMPGAC-UHFFFAOYSA-N 447.583 4.579 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CSCN3C(=O)c3ccc(C(C)(C)C)cc3)cc2n1 1611184587 KRCGOLCSNUKCTK-JOCHJYFZSA-N 448.592 4.674 30 10 IJEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1cccnc1)C(C)C 1614171031 FSECKMHEKOPRMJ-VWNXMTODSA-N 444.583 4.942 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCCC1=O 1618084578 HDAKDXOHNKIYCG-UHFFFAOYSA-N 448.615 4.626 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@]2(c3ccccc3)CC2(C)C)n(Cc2ccccc2)c1C 1620454789 DOWZBCQGFNQXOE-MHZLTWQESA-N 426.564 4.878 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 1625182016 BFGYTFKBFHHXMS-QHCPKHFHSA-N 447.560 4.990 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1628816403 DWAIKMXJQCFKSO-UHFFFAOYSA-N 439.140 4.590 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1629242528 HSPBQHLJHSFJLY-YCRPNKLZSA-N 434.508 4.630 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 1630113833 UDQFFZSJWFHDGF-HKUYNNGSSA-N 428.533 4.603 30 10 IJEE C=CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 1631772764 QPCWHIPLSVHPEB-UHFFFAOYSA-N 435.490 4.544 30 10 IJEE C#CCN(CC1CC1)C(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1631954283 PGFMZFCZJGCFRA-UHFFFAOYSA-N 444.575 4.956 30 10 IJEE Cn1cc(CNCc2ccc(COc3ccc(F)cc3)cc2)c(-c2ccc(C#N)cc2)n1 1651259710 APZQCSDSLHTDFR-UHFFFAOYSA-N 426.495 4.967 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)CC1 1651540992 KYRPOBYDTQOPCP-UHFFFAOYSA-N 443.341 4.883 30 10 IJEE C=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(OCC)cc1)C(=O)OCC 1651851190 VSKJNWLPYSDBKL-UHFFFAOYSA-N 427.501 4.684 30 10 IJEE N#Cc1ccc(Br)cc1OCc1nc(-c2ccc(Br)s2)no1 1652879213 HHLQROLJUYZPHP-UHFFFAOYSA-N 441.104 4.774 30 10 IJEE CCC1CCC(NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)(C(=O)OC)CC1 1653682371 FZWQWAZREMFMKL-UHFFFAOYSA-N 442.604 4.522 30 10 IJEE C=CCOc1ccc(CNC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)cc1OC 1655304830 MJUWCECGAIOKIT-LAUBAEHRSA-N 448.966 4.604 30 10 IJEE C=CCn1c(SCO[C@@H]2CCCOC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1656187310 SNTHSDMFBVUTNE-QGZVFWFLSA-N 428.579 4.865 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CCCC1 1666413451 QHLIFPMXBYXDCO-UHFFFAOYSA-N 440.009 4.773 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 1668177115 PECNFAVTSALQJR-UHFFFAOYSA-N 447.457 4.977 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1Br)c1ccc(F)cc1 1670020210 LDSYETUOUPUIBH-CQSZACIVSA-N 431.183 4.983 30 10 IJEE CCOc1ccc(Oc2cc(CNC(=O)Nc3cc(C)c(N(C)C)cc3C#N)ccn2)cc1 1670675215 CBAPVGVHGFAOQK-UHFFFAOYSA-N 445.523 4.840 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCCN(c2cccc(Cl)c2C)CC1)C(C)C 1675963870 JHXFGPJMUJAHHB-QHCPKHFHSA-N 433.040 4.569 30 10 IJEE N#Cc1ccc(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1Br 1677425359 CVEHKXLDXWEOJW-UHFFFAOYSA-N 448.748 4.844 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 1680632544 DCPNMMVLQBKOTJ-SFTDATJTSA-N 439.522 4.609 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1680716561 DLVHFGOWQUBDAX-XXBNENTESA-N 437.531 4.918 30 10 IJEE C#CCN(C)CCCNC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@H]1C 1682963491 HUAJUDFMKLZXOV-NQIIRXRSSA-N 448.998 4.995 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)C1CCCCC1 1682983767 ACJMLDUJAKYBOX-HXUWFJFHSA-N 431.536 4.562 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1683106901 OVUNXFBOYYOFGW-FCHUYYIVSA-N 449.599 4.615 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 1683130451 ISUFKLLIAAGOPV-UHFFFAOYSA-N 425.495 4.586 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C(CC)CC)no1 1689855021 MNOLAALCEHPXSA-INIZCTEOSA-N 425.964 4.920 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)COCC 1689863217 OSOPKXODXXZGCC-HNNXBMFYSA-N 439.387 4.685 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1689897677 DXEVCEWGKWSYGR-SFHVURJKSA-N 448.521 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)CC(C)C 1690252289 BZVUGQYGXQCAQI-AVRDEDQJSA-N 432.996 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1690258710 QPNQMTQFFYZDCL-DVECYGJZSA-N 440.592 4.766 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690280520 VQCFMTQKLALTEF-UXHICEINSA-N 441.620 4.628 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ccsc1 1690480474 KAZXAWLEEGYZOH-UHFFFAOYSA-N 448.596 4.900 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)s1 1690507499 NNUGMSSPKCYNDX-UHFFFAOYSA-N 439.423 4.989 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1c(C)nn(C)c1C 1690629923 KHDMCRJANIGUII-UHFFFAOYSA-N 429.572 4.525 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnn(CC(C)C)c1C 1705484630 SJRDCUKEZWDOGI-OAHLLOKOSA-N 445.398 4.919 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1705530098 SNMRFROVTLGOIZ-UHFFFAOYSA-N 429.568 4.741 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCC1(C)C 1705620839 IIIDZSLGEXGVTN-QFIPXVFZSA-N 448.590 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCCN1CCCC[C@H]1C 1705677724 ZDQMCDPWUHRPCF-YIXXDRMTSA-N 449.643 4.812 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705737245 MQWLYJVAIWURRU-QFIPXVFZSA-N 431.669 4.552 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCSC1 1705798484 SUVLNGPZISDTQS-OAQYLSRUSA-N 439.000 4.788 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(C(C)C)C1 1705861551 ILNTYJRCXYKIGK-RPWUZVMVSA-N 437.632 4.833 30 10 IJEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1705915816 XBXOARNKZUFWDP-UHFFFAOYSA-N 446.542 4.834 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCCC2)C1 1706435529 HAISSIDBYNZOCH-ISKFKSNPSA-N 434.632 4.810 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC=CO2)c1C 1706976985 HEMDIYMUKTWCJS-IFMALSPDSA-N 435.572 4.858 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCC1CC(OC(C)(C)C)C1 1722302164 GTIZGEDVARAWCY-HVIUMASTSA-N 438.616 4.916 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1722319215 LMZUNWCOYBBXPT-NRFANRHFSA-N 435.616 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722475450 ZRNUWXAGHIMUHS-DNQXCXABSA-N 426.992 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(CCOC)CC(C)C 1722495775 TYPRTFLUOIUVLG-OFNKIYASSA-N 438.572 4.781 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CCCCC2)CC1 1722520033 QLROGQAFJOQCJI-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1722595812 VSQZSRKBKLPQHG-ZEQKJWHPSA-N 449.599 4.728 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCCCCC1 1722657498 CUESYMUOMZCPSY-UHFFFAOYSA-N 430.600 4.717 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC2(CCCCC2)O1 1722678140 TZODHIYDDFRCIL-IBGZPJMESA-N 428.552 4.605 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)Cc2cccs2)C1 1722720542 DMDLKAJUBXOUHV-ICSRJNTNSA-N 440.588 4.730 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1740593086 RJSKPCJWGNKLEB-FCHUYYIVSA-N 437.607 4.512 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(CC)s1 1740647488 PHVIYHQYDZCTJY-UHFFFAOYSA-N 440.519 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)CCC 1740758202 VEPDOACBXFASAD-MZKRTTBSSA-N 434.588 4.737 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(CC)Cc1cccs1 1740763662 ODAFFBCKZATJTR-GHTZIAJQSA-N 428.627 5.000 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)CN1CCCC1 1740775494 DLVCYXTXJVHOMG-UHFFFAOYSA-N 434.632 4.875 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1740780182 ZVKHYMQSLOEWPQ-OAQYLSRUSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)C)CC1 1740845659 XEIPBCDNBFQJJA-UHFFFAOYSA-N 432.012 4.740 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1C1(c2ccccc2)CCC1 1740852025 HICOVUMJIUDTBB-QFIPXVFZSA-N 449.643 4.845 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1740861038 ZGXNBLAXLMSPBV-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740901420 PYWAFVSIJADUML-HDICACEKSA-N 431.575 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1740927567 JTKUPSSTJBUXAJ-IBGZPJMESA-N 441.576 4.672 30 10 IJEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CCCS1 1742009994 HXFYLAXCYJWLPZ-PXNSSMCTSA-N 435.519 4.881 30 10 IJEE CCC(CC)[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)OC 1743984699 GDZLCVIIWKQFBJ-OFNKIYASSA-N 447.986 4.806 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(OC)CCC(C)CC1 1748656790 YYTDCLJAUDSUSB-BNGSBABLSA-N 430.980 4.660 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H](C)c1ccco1 1749023777 WJFMQYVTSXXTLM-DLBZAZTESA-N 428.533 4.714 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1749046750 FJFHSEIIZZGWBT-KRWDZBQOSA-N 433.021 4.749 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(C)(C)C 1749085288 AOHCSDBKNOWOJR-CQSZACIVSA-N 425.346 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1nccs1 1749123988 KIASMDGAGZLAOI-KXBFYZLASA-N 429.977 4.673 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1749412696 PIDNTOOHAOWOFG-CPJSRVTESA-N 440.588 4.790 30 10 IJEE C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC=C(Br)C1 1749433417 JESLUJLOVWVZDP-UHFFFAOYSA-N 426.362 4.805 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCSC1(C)C 1749537888 PIDNRXJNUPOZNN-NHCUHLMSSA-N 426.630 4.896 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1Cc1occc1C 1749552580 GPEKCLTUWBUNLP-UHFFFAOYSA-N 425.583 4.838 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1749608176 QKOMAGYMSXOTSB-YJBOKZPZSA-N 426.362 4.615 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1749642481 IZVQUWKELDLNOH-KRWDZBQOSA-N 427.549 4.640 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)c1c(C)noc1C 1760165072 ILGNZOAITUBCFG-OAHLLOKOSA-N 446.580 4.855 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCC2CCCC2)CC1 1760263734 NIRXENZDUDAKTO-UHFFFAOYSA-N 437.657 4.604 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(CC)[C@@H](C)C1CCC1 1760279685 IDLMXBUNFHUTLO-SFHVURJKSA-N 435.597 4.981 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(CC(C)C)c1C 1760291581 UXNKFHBZDVITDQ-AREMUKBSSA-N 430.600 4.709 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC1(CCOC)CCCCC1 1760292225 ULZLJVJETFQMIO-RUZDIDTESA-N 436.600 4.933 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccs1 1760317445 GDFSBAOXYVPRKB-QFBILLFUSA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1c(C)nn(-c2ccccc2)c1C 1760332650 JJLOIXHDXXJVTD-UHFFFAOYSA-N 429.572 4.537 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1760424980 ATIXKLFSNOBCMX-UHFFFAOYSA-N 440.588 4.533 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760443379 GLTFALSDVLJKGG-OAQYLSRUSA-N 434.588 4.633 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC(C)(C)N1CCCCC1 1760485704 NUAQUHRFFONEPS-UHFFFAOYSA-N 436.629 4.859 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1760507913 QBQMKXINKASCQF-OAHLLOKOSA-N 431.968 4.868 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)cn1 1766609818 CDPTVIQCTVAIAD-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE O=C1/C(=C/c2ccccc2)SC(=NN=Cc2cccc([N+](=O)[O-])c2)N1Cc1ccco1 1772758852 FXBNCJYIJPLALR-FYDGMIJASA-N 432.461 4.694 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1 1858866549 KEMYBGPHFHRZER-UHFFFAOYSA-N 449.334 4.861 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860962725 FWLKSWLHMFCSTK-IBGZPJMESA-N 434.584 4.749 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 1861489107 IWZRWQBVCKOTLC-HSZRJFAPSA-N 426.557 4.652 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 1861889565 OUAGDYXLSJCEDL-IBGZPJMESA-N 436.943 4.592 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862401775 JFDJVGAUKSULKG-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C)cc1 1862429049 FAXINGBUSPUCRB-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2c(c1)OCCO2 1862549027 GQCQECOJAMCCMG-GYCJOSAFSA-N 447.531 4.713 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2F)cc1 1862556329 UAXDRIZCOWGNCQ-WNSKOXEYSA-N 446.478 4.756 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862619671 AIAXBPNSNVLDLN-QFIPXVFZSA-N 435.564 4.852 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862625619 KVJINLUYFALEFY-BVZALQNUSA-N 433.504 4.881 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1F 1862636793 OKSWURRHJZVKRO-XMMPIXPASA-N 445.490 4.964 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 1862673064 BGCBCYOKWNVTIA-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862701043 VGUKPQAHDVJKCT-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4cccnc34)C2=O)cc1 1862886568 LFNGYQPNBDHAQU-UHFFFAOYSA-N 430.467 4.812 30 10 IJEE CC(C)OCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccc3ccccc23)C1=O 1863226045 QKURMDCRPYDCID-UHFFFAOYSA-N 439.515 4.719 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1863270425 NHDADSWYPYCBNK-UHFFFAOYSA-N 446.510 4.783 30 10 IJEE CCC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867757069 VNQVSMJKMDEJAH-ZWKOTPCHSA-N 448.350 4.590 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)Cc1nc(-c2ccccc2Cl)oc1C 1868646383 NHLIJQHYMRWHGL-FQEVSTJZSA-N 443.975 4.722 30 10 IJEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871428570 JHHGCVZLDPFFBV-MOSHPQCFSA-N 430.884 4.613 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 1871949843 VTCZXVFRTYTCKY-LJQANCHMSA-N 441.380 4.978 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872245159 OECYMAGOCYCMMP-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872424215 FOOZANSODLQSKT-SFHVURJKSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)CCCC 1872492098 UJKRYUHHOXVIQJ-IBGZPJMESA-N 447.066 4.717 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872575049 FZFKEFVDPCNUJC-QFIPXVFZSA-N 444.597 4.605 30 10 IJEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1[N+](=O)[O-] 1872767144 TYANVFNCKQDSNC-HNNXBMFYSA-N 426.885 4.928 30 10 IJEE COc1ccc(OCCCc2nc3ccc(C(=O)Nc4cccc(C#N)c4)cc3[nH]2)cc1 1872804799 LEORTESZPTVYFQ-UHFFFAOYSA-N 426.476 4.707 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(NCCCC)ncnc21 1873604392 YAWALKCTPKCHAW-UHFFFAOYSA-N 433.434 4.980 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1Cl 1874221906 FPSGMPWJAOVUDR-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc[nH]1 1874287291 XFAVGOHTZZXYNA-AFUMVMLFSA-N 433.537 4.677 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874327923 NTRIRRWIGYNJPA-LPYMAVHISA-N 425.514 4.766 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cc(OC)ccc1OC 1874327943 PAQJSFVYCQSBBP-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE Cc1cccc(/C=N/n2c(CCc3cccs3)nnc2SCC(=O)OCC(C)C)c1 1874374174 KSNJKAHNAQJVLQ-YDZHTSKRSA-N 442.610 4.607 30 10 IJEE Cc1ccccc1COc1ccc(/C=N/n2c(SCCO)nnc2C2CCCC2)cc1 1874457819 JJQRUEZZLLRIHK-PCLIKHOPSA-N 436.581 4.790 30 10 IJEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)ccc1O 1874461421 MQICGLSVTDUNDD-YSURURNPSA-N 436.459 4.802 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(C(=O)OC)cc1 1874476666 RJUHLHZZBJWDID-ZVHZXABRSA-N 426.517 4.721 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2F)c1 1874483621 FIGQTNJRUKSAFT-BRJLIKDPSA-N 443.523 4.775 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2F)c1 1874511730 MKYBSRLQHJDWNH-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2c[nH]c3ccccc23)o1 1874513430 XGPOENXORLRUQX-WYMPLXKRSA-N 437.525 4.827 30 10 IJEE CCCCCOc1ccccc1/C=N/n1c(S)nnc1Cc1ccc(OC)c(OC)c1 1874567756 OYMLMEMMYRARFY-LFVJCYFKSA-N 440.569 4.626 30 10 IJEE CCCNC(=O)COc1c(OC)ccc(/C=C/C(=O)c2ccc(C)cc2)c1Br 1874596706 ZKANVHDBLXCNCY-PKNBQFBNSA-N 446.341 4.567 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)NCc1ccccc1 1874612904 RFNWATXWSOWCJU-YRNVUSSQSA-N 437.442 4.565 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)c(OC)c1 1875178400 HVVHDELFHIDUGM-FMIVXFBMSA-N 440.492 4.713 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1F 1877009053 LCOVFQMNXVYMTO-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE CC(C)c1cc(C(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)c2cc(F)ccc2n1 1890431970 SXAZZIZBTWMOHX-UHFFFAOYSA-N 445.542 4.753 30 10 IJEE C=CCC1(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 1924529414 FKLFVDMBLHFOHD-LJQANCHMSA-N 437.625 4.569 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2020330391 VUWRDCFFJFQPID-MOPGFXCFSA-N 437.625 4.521 30 10 IJEE C=C(CNC(=O)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1)B1OC(C)(C)C(C)(C)O1 2020853625 UHOSDJGGADCUNB-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(NC(=O)OC(C)(C)C)nc1 2050055796 YHIHUEDSTNKFSJ-GOSISDBHSA-N 447.580 4.572 30 10 IJEE CCOC(=O)c1c(C2CCC2)nn(-c2ccc(C(F)(F)F)c(F)n2)c1C(F)(F)F 2078888636 DKVJHGJOACZOFW-UHFFFAOYSA-N 425.304 4.888 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)cc1O 2079976979 GCQWFYDFAZCCHD-AWEZNQCLSA-N 430.224 4.640 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](Nc2cc(Br)cc(C#N)c2)(C(F)(F)F)C1 2105981215 IBEQPFZXWZGHEP-MRXNPFEDSA-N 434.256 4.675 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 2124436329 HHWLWMKJYTVLDL-QGZVFWFLSA-N 429.399 4.631 30 10 IJEE C=CCN(C[C@H](NCCC)c1cc(Br)cc(OC)c1)C(=O)OC(C)(C)C 2136315078 NJXMHRVUMONLRN-SFHVURJKSA-N 427.383 4.922 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNc1ccc(C#N)c(Br)c1F 2162401801 GZOSVKIHAQHQDN-CQSZACIVSA-N 438.341 4.909 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2ccc(Br)cc2C#N)CC1 2174809783 DOOALIVWXBMTDD-IBGZPJMESA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)cc2Br)CC[C@@H]1C(F)(F)F 2174811672 AZIQNIJTNOROOS-GXTWGEPZSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 2184353761 IKCGEPAHDDDERO-MRXNPFEDSA-N 436.350 4.950 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2201017742 VBLVMKZCRJBNMF-OALUTQOASA-N 439.394 4.805 30 10 IJEE Cc1cc(C(=O)[C@H](C#N)c2ccc(Br)cc2)ccc1I 2207026824 CVEDXVJVZFYHCD-CQSZACIVSA-N 440.078 4.852 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)C1(NC(=O)OC(C)(C)C)C2CC3CC(C2)CC1C3 2250186632 CEFQLADIAJZFAR-FPRZSRDOSA-N 427.585 4.840 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)C12CCCC2 2262205913 MWFODKBCNNWGPA-RUZDIDTESA-N 445.556 4.553 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2CC[C@@H]2OCc2ccccc2)c1 2281940483 PSUVQQBOJXXIEH-RPWUZVMVSA-N 449.400 4.587 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(OC)cc1Br 2292206967 XEQATFMJXTXTHY-OAQYLSRUSA-N 435.314 4.763 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@H](N)C#Cc1ccc(Br)cc1)C1CCCCC1 2296304686 KFDNUJWRPUFCBZ-UXHICEINSA-N 435.406 4.992 30 10 IJEE O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccc(Cl)cc1 2297745390 AVYBKNPLQYZXJZ-NRFANRHFSA-N 448.862 4.870 30 10 IJEE C#C[C@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC(C)(C)C[C@@H]1OCc1ccccc1 2300080715 RIQZIVNLROPJCC-NVQXNPDNSA-N 426.601 4.707 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@](C)(C(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2305403424 NTXRSQSXCRBTFR-DNRQZRRGSA-N 430.589 4.992 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2313032083 YJZPGACXPLVNEE-FSTVOOFJSA-N 448.568 4.900 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C[C@H]2CCCO2)C4)cc1 2321961901 ITMYYBHNTOZODI-OAQYLSRUSA-N 448.563 4.788 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1F 2322703745 VCNNNMATYMQHNA-GOSISDBHSA-N 433.479 4.987 30 10 IJEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323683488 AHOWBVUVVXDYKR-UHFFFAOYSA-N 445.427 4.894 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 2324630932 VOCZWYSTRKHANG-KRWDZBQOSA-N 436.464 4.634 30 10 IJEE Cc1ccsc1C=C1Oc2cc(OCC(=O)OCCOc3ccccc3)ccc2C1=O 2325744704 JLIPLGFBYQQRND-UHFFFAOYSA-N 436.485 4.674 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(N(C)C)cc1 2326691215 GTOHHYYQWQBLJG-UHFFFAOYSA-N 439.585 4.706 30 10 IJEE CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2327047996 HKKCWPFQLWUUAS-UHFFFAOYSA-N 445.932 4.764 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)cc1OC 2330919425 QKHDDUGGBVRLQN-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(C)cc1 2331046590 XPLHEPHKXMWEQM-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccccc1F 2331201014 CNUMRONEXGHFMW-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)cc1 2331352316 GWMYAWXPQOZBSW-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE CC(C)C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1Br 2331399707 PGTKTRLQAUYSPX-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCC2)cc1 2331494117 GOFPSAZHBCUWNC-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CC(C)c1nnc(SCCO)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331710219 WNOWHKQZXRCISI-UHFFFAOYSA-N 430.961 4.601 30 10 IJEE CC[C@H](NCCC[C@H](C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511101 CRZLXFLHWIFZKX-RXVVDRJESA-N 446.441 4.720 30 10 IJEE CC(C)(C)OC(=O)NCC1(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339539362 GNGMALPKGZIFJH-UHFFFAOYSA-N 443.397 4.833 30 10 IJEE C[C@@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H](C)CN1Cc1ccccc1 2339574030 BKRRKRKCVLULID-NHCUHLMSSA-N 433.405 4.825 30 10 IJEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2339579447 WNPMEGIAJSSCAE-LJQANCHMSA-N 443.397 4.562 30 10 IJEE C[C@@H](C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2342475592 RJUVBLJEZWGSFL-AEFFLSMTSA-N 444.381 4.832 30 10 IJEE Cc1cc(CN[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343597656 XGFJQDPOTVHAGU-BJKOFHAPSA-N 435.417 4.768 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 2360195850 FCGUOKXNASUNDH-WCIQWLHISA-N 433.390 4.567 30 10 IJEE Cc1cc(Br)c(F)c(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2368429356 BSGVQAUEAOTSPV-LJQANCHMSA-N 426.135 4.595 30 10 IJEE Cc1ccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2cccc(O)c2)cc1 10173145 ISNITXZIMXPBNM-UHFFFAOYSA-O 442.358 4.802 30 10 IJEE C=CCN(C(=O)c1cc(O)nc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14724287 HYDNJLMJEAHDRI-UHFFFAOYSA-N 432.461 4.805 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(C)c2)Nc2cc(C)ccc2OC)c(C)n1 32973063 CYXXSPAHPZDADZ-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE COc1cccc([C@H]2C3=C(C[C@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)c1 33321111 IFPHRLBMSAHOFG-QMHKHESXSA-N 432.476 4.664 30 10 IJEE Cc1nc(S[C@H](C)C(=O)Nc2c(C#N)cnn2-c2ccccc2)cc(-c2ccccc2)n1 40171624 UNYJUIAKEGSTGZ-MRXNPFEDSA-N 440.532 4.629 30 10 IJEE CCOC(=O)C1=NN(c2ccccc2)C(=C2C(=O)c3ccccc3C2=O)[C@@H]1c1cccs1 100227439 DOTXSOYOEAKRGS-LJQANCHMSA-N 442.496 4.604 30 10 IJEE COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)/C(=N/c2ccc(Cl)c(Cl)c2)S1 100294612 YUDQKLSVDGTUGN-BWORXHKJSA-N 438.336 4.592 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 102614780 KAVJCDIIBKZEAM-SSEVDBOFSA-N 427.287 4.640 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 102735017 AAYHEUJSSQTUAT-SCDSTIRESA-N 435.288 4.978 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccs2)ccc1F 169989907 PIXGWTLLLMOPCS-LJQANCHMSA-N 433.464 4.855 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)c1 170119329 OWGRGHWSUMKGQR-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2)cc1C(C)(C)C 170221965 JMTITNQCNCZFOP-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1ccccc1 170231846 GEXHPNYPTVCXEO-FQEVSTJZSA-N 448.544 4.733 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(CC)cc2)cc1 170265949 YGUJKAHNNRHJFV-ISKFKSNPSA-N 449.547 4.795 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccco2)c1 170279957 FYYHNZSNTJVBRE-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccco1)c1ccc(Br)cc1 170283630 BKNUCILENAAAEU-SFHVURJKSA-N 440.249 4.531 30 10 IJEE CCc1c(-c2cc(I)ccc2Br)sc(C#N)c1N 234140401 TVEVAURUCYYVPL-UHFFFAOYSA-N 433.112 4.798 30 10 IJEE C=CCC[C@H](NC(=O)N1C[C@H](CC)O[C@]2(CCOC2)C1)c1ccc(C(F)(F)F)cc1 474565055 XLRXSXQIUWBFKY-IRFCIJBXSA-N 426.479 4.692 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 507278683 ITTGTKRHVOYJMV-JOCHJYFZSA-N 436.621 4.623 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 508816980 LQEVVEKFAHIEJW-HXUWFJFHSA-N 448.571 4.687 30 10 IJEE C=CCn1c(N2CCC(OCC3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 508912979 NROXTTNCBOXNQS-UHFFFAOYSA-N 432.515 4.768 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 508939109 QMGGRUKGPWEXGI-NYHFZMIOSA-N 444.988 4.774 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 549248380 PGAKSURGQVSRHE-FCHUYYIVSA-N 436.943 4.762 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 549290619 BUENYTUQXZALIH-QGZVFWFLSA-N 441.576 4.975 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 555265229 GFOHYJDTCUIVHZ-UHFFFAOYSA-N 437.632 4.618 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CC#N)C(c1ccccc1)c1ccccc1 586155892 GFXLCDZJORWGEH-UHFFFAOYSA-N 426.925 4.652 30 10 IJEE N#Cc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2cccs2)c1 586214407 DLPKOFQIAJDHDM-UHFFFAOYSA-N 433.352 4.778 30 10 IJEE CCOc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(CC)cc2)cc1 586305139 QSIBYFZNMVBYSD-UHFFFAOYSA-N 434.517 4.555 30 10 IJEE C=CCN(C(=O)c1oc2ccc(CCC(C)=O)cc2c1C)c1nc(C(=O)OCC)cs1 604533672 XTBZOHXGZNWFMG-UHFFFAOYSA-N 440.521 4.729 30 10 IJEE C#CCN(C[C@H](Cc1ccc(Br)c(F)c1F)NCCC)C(=O)OC(C)(C)C 701320657 YPBDLOMXMLDJGJ-HNNXBMFYSA-N 445.348 4.508 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 711087332 MJLWJFQPVVTFGY-IERDGZPVSA-N 436.557 4.853 30 10 IJEE N#C[C@@H](C(=O)c1cccc(F)c1I)c1ccccc1Br 721680727 FOSCJVLSMRYRFT-LLVKDONJSA-N 444.041 4.683 30 10 IJEE Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cc(Cl)ccc3OCC#N)C2)cc1 735309672 JLIZFQNRMRKMNU-SFHVURJKSA-N 426.948 4.585 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1C 742212385 NKKWGIJOVIOLOQ-JOCHJYFZSA-N 447.560 4.571 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(Oc2ccc(C)cn2)cc1 743476060 CKLLFVNIEDJMIZ-LJQANCHMSA-N 430.508 4.938 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(CN3CCCC3)CC2)c1=S 765006435 OFZBBAUXCFKUEY-UHFFFAOYSA-N 432.037 4.686 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 766371229 RKPQNIRYXGHSKT-RXVVDRJESA-N 444.572 4.512 30 10 IJEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1sc2cccc(Cl)c2c1Cl 787059253 MUWOJXJZDGWETQ-LBPRGKRZSA-N 448.287 4.755 30 10 IJEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 787059948 JVQGLXHOERIRIX-KRWDZBQOSA-N 439.880 4.616 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1 789889315 LUUNIUZNLXLTPS-UHFFFAOYSA-N 432.467 4.517 30 10 IJEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 792750127 JTAXNAIYYDKXCF-JXFKEZNVSA-N 441.503 4.645 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 806273348 VUMCYHGECVJXGC-NRFANRHFSA-N 433.552 4.970 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1)c1ccc(Cl)cc1 810473221 HHBKFDAPUQNQCE-OAQYLSRUSA-N 441.934 4.679 30 10 IJEE C=CCn1c(CCCc2cccs2)nnc1N1CCC(C(=O)c2cccs2)CC1 1116935653 JMJBSQCLZCBEHN-UHFFFAOYSA-N 426.611 4.862 30 10 IJEE C=CCc1cc(C(=O)N[C@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1126491477 TYTSRMTZZSAAGJ-OAQYLSRUSA-N 439.552 4.764 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1ccccc1 1127384365 QFMSYWXSVWVUEO-XXBNENTESA-N 426.582 4.687 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)n1 1127418644 FIJANNBPZWWUFF-UHFFFAOYSA-N 441.716 4.830 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C 1131600577 PWGRMIKRYZZWOZ-UHFFFAOYSA-N 444.597 4.551 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(Cl)ccc3I)cc2n1 1134067092 LJPHSMUHYFLMKW-UHFFFAOYSA-N 437.668 4.733 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)cc1 1136611807 DEMMVYIVPHACBS-PCCBWWKXSA-N 425.326 4.680 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)cc1 1149256361 CFDRQFBMFOGEMT-UHFFFAOYSA-N 429.495 4.705 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)cc1 1157327139 OPKPJXPROOIDBZ-FQEVSTJZSA-N 430.932 4.787 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1205646839 GCVANPLCKGWPKJ-UHFFFAOYSA-N 449.532 4.760 30 10 IJEE CN([C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)Cc1cc(C#N)ccc1F 1211363291 HKYPONVAVBDGSO-ICSRJNTNSA-N 440.462 4.814 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccc(F)cc1 1216771637 IGGXRUBJCZEHAO-TZIWHRDSSA-N 444.432 4.905 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 1264399389 YQMINCYCAQWEAJ-HXUWFJFHSA-N 446.572 4.655 30 10 IJEE C=CCc1cc(CNC(=O)c2csc(-c3ccc(F)c(F)c3)n2)cc(OC)c1OC 1264831007 GIBCXNVRFXIRQX-UHFFFAOYSA-N 430.476 4.764 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1)OCC 1270183597 LBPIZEWPUPMWMN-VQTJNVASSA-N 436.980 4.832 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](OCCC)CC1 1286503928 LTAWUFBPSDUZGT-IBGZPJMESA-N 437.613 4.578 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286505961 COUXOVMXJVXSTE-MRXNPFEDSA-N 437.034 4.595 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCCOCC 1286527650 OOILRJZIORQENK-OAQYLSRUSA-N 437.371 4.583 30 10 IJEE C=C(Br)Cn1c(N(CC)C[C@H]2CCCO2)nnc1C1(c2ccccc2)CCC1 1286547445 MMCUPNFYPQNZGB-LJQANCHMSA-N 445.405 4.662 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(F)(F)F)CC1 1286598981 JREMRSZHULEYDO-INIZCTEOSA-N 443.514 4.705 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2cccs2)N(C)C)CC1 1286651178 VNCWEEKVFJVRSH-SVFBPWRDSA-N 443.661 4.718 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OC)C1)c1ccccc1 1286677764 JGVUOAZSJBAVPM-LEWJYISDSA-N 437.975 4.969 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286686016 ZZTAGVAIUIXCJL-XLIONFOSSA-N 444.421 4.737 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC(C)(C)C1 1286699520 SGEBMYUEVNXGRU-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@H]1C 1286706649 RXBWWMKOTZKPCU-QUCCMNQESA-N 430.618 4.569 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)c1ccccn1 1286767478 UACCCCNGFUUDEL-UHFFFAOYSA-N 425.964 4.610 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(C)cs1 1286826394 GPKXFKMLGUSZAU-UHFFFAOYSA-N 429.571 4.779 30 10 IJEE Cc1noc(C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)C(C)C)CC2)n1 1290947698 APIZGESDGRVSMC-UHFFFAOYSA-N 433.560 4.574 30 10 IJEE CCC(CC)(Cn1c(COc2cccc(C)c2)nnc1N1CCC(C#N)CC1)SC 1291940063 AHEWCLQTJLURFK-UHFFFAOYSA-N 427.618 4.827 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(C)(C)c2cccs2)c1 1300331571 MPUJUBZJZKQECY-UHFFFAOYSA-N 449.624 4.671 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1300341306 FPMLGEJXLXRZKY-RPWUZVMVSA-N 445.615 4.673 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(OC)C1 1300348672 MZKQOJFKNJIHHR-KOSHJBKYSA-N 426.630 4.940 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@@H](OCC)C(C)C 1300559494 QSTHIMVVCRSRJS-RUZDIDTESA-N 443.595 4.716 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(Cc1ccco1)C(C)C 1300888558 KSURJJBROSQAMU-HYBUGGRVSA-N 438.547 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(CC)C1 1300888733 LUTYCUWQUXTWCV-APTRMMRNSA-N 445.007 4.509 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 1301055456 KZAUFHDHCYDDSX-QGZVFWFLSA-N 433.940 4.855 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1CC(OC(C)(C)C)C1 1301268502 NALGHHGLOCTWCU-UHFFFAOYSA-N 439.604 4.753 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCCC1(F)F 1301425112 CYRHLBQULOABRX-LJQANCHMSA-N 443.542 4.815 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1303334432 FMBNYIOCRSGKCA-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCOc1ncccc1Cl 1303628661 DYLUXQACLGLPJM-CYBMUJFWSA-N 449.317 4.603 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OCc2ccccn2)cc1 1305476521 GTCVZGKIRANYFR-FNZWTVRRSA-N 444.583 4.944 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2F)[C@@H](C)O)cc1OCC 1308454534 HIRKCSVZLCDLHF-JLTOFOAXSA-N 438.337 4.763 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OC)c(F)c2)cc1C#N 1310458142 CRUZXPKTGGYGPJ-LJQANCHMSA-N 426.448 4.643 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCCSC[C@H]1c1ccccc1OC)C(C)C 1311388712 QNXYJZUJSDYICI-YADHBBJMSA-N 431.646 4.583 30 10 IJEE C=CCCCCCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 1312664268 IVBAWKSJADALKO-PCCBWWKXSA-N 437.625 4.617 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(Br)cs1)C1CCC1 1314681856 HPZQLORVLAIRLE-UHFFFAOYSA-N 428.359 4.678 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)C1 1337716650 QYSDHCWXVGHKPX-INIZCTEOSA-N 425.579 4.876 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 1350249998 JLLJXYFRAFFNEY-UHFFFAOYSA-N 445.515 4.510 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(CCC#N)CCC(C)C 1358926040 ZTXFFTJRELEKCK-UHFFFAOYSA-N 428.378 4.887 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCSC1 1358935135 YUCPDRWWLMINKJ-HNNXBMFYSA-N 425.385 4.519 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)SC 1358997985 MFYWHTNBMXTIPQ-UHFFFAOYSA-N 438.641 4.759 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1359128035 HYCQIYZEQZAHIQ-FQEVSTJZSA-N 444.023 4.503 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359153516 JBLZJVRYLPDSFC-CYBMUJFWSA-N 437.038 4.911 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1359166800 IDAJADDOCJZSCB-QFIPXVFZSA-N 428.989 4.648 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1359167904 YZTLEOBTUKGDJD-OAQYLSRUSA-N 439.604 4.523 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)c2ccccc2F)CC1 1359174188 XRJLGUPNLPZRQU-GOSISDBHSA-N 430.568 4.521 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccsc2Br)CC1 1359176557 FRKIETXCPVSHGE-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1359180605 LITSKIJLYHAEKI-WOJBJXKFSA-N 438.616 4.678 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc2c(n1)CCCC2 1359231277 RYHIFQOFCJYVEC-IBGZPJMESA-N 447.583 4.761 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCCCNC(=O)OC(C)(C)C 1359234636 VMCGCLHZTXGIAV-UHFFFAOYSA-N 425.533 4.618 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H]1CCCCN1C1CC1 1359256479 HIEBVLOYDBIQKV-XMMPIXPASA-N 432.616 4.558 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1CC(=C)C 1359262095 HODOZDMNPOVYJU-UHFFFAOYSA-N 432.391 4.876 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCc2sccc2C1)C(C)C 1359265202 ASLPAEDOWXADMW-OAQYLSRUSA-N 425.646 4.868 30 10 IJEE N#Cc1ccc(OCC(=O)NCc2ccc(OC3CCCCC3)cc2)cc1Br 1360491565 FKWGTPOTHLWXJC-UHFFFAOYSA-N 443.341 4.727 30 10 IJEE Cc1cc(Br)c(C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1Br 1361249240 GOTHBPPJEFMUSK-UHFFFAOYSA-N 440.139 4.596 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1F 1457810787 ROAXXAZKBOYLAI-KPZWWZAWSA-N 436.708 4.941 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnn2CCC)nnc1-c1ccc(C(C)(C)C)cc1 1458773499 JUTGGEWIZVGTGH-UHFFFAOYSA-N 438.601 4.766 30 10 IJEE C#CCOc1ccccc1CNC[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1461822695 XTRXNXHYQIZDQH-OAQYLSRUSA-N 427.470 4.937 30 10 IJEE Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1463087113 GNVORVOZJOACQW-UHFFFAOYSA-N 432.549 4.870 30 10 IJEE C=CCCCN(CC)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1463241651 VOLPPVXJFKBMEY-KRWDZBQOSA-N 425.367 4.830 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3ccccc3n2Cc2ccncc2)cc1 1463923926 VLRMDDORPQUUFQ-UHFFFAOYSA-N 425.492 4.644 30 10 IJEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC(C)(C)C 1464955070 DXTSSDTVFPSUDL-GOSISDBHSA-N 433.552 4.702 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(F)F 1468857045 LLXPJZHGOPSCCL-BTYIYWSLSA-N 428.479 4.630 30 10 IJEE C#CC1(O)CN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc23)C1 1472628842 RNCFSYQMJLQKBF-UHFFFAOYSA-N 431.706 4.682 30 10 IJEE CSc1cc(Cl)ccc1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1476853990 GNZNNUIBWQHVRU-UHFFFAOYSA-N 428.945 4.816 30 10 IJEE C[C@@H]1CC(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1493311261 FWWVDKOVBVDPAK-KZNAEPCWSA-N 441.551 4.501 30 10 IJEE CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2cccc(C#N)c2)n1CC1(C)CC1 1503513958 DDQLCQIBYBBAFK-UHFFFAOYSA-N 432.475 4.729 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1507573620 IAHZYGSPCXOCAS-QFIPXVFZSA-N 438.641 4.935 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507577588 RKTYFSKMVMQIOM-SFHVURJKSA-N 449.555 4.550 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1507747943 JUNRQNLMXLYADH-QZTJIDSGSA-N 428.671 4.939 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1507829415 WWIHWHJFFNIYBJ-NHCUHLMSSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OCCC)CC1 1507849144 SABCRYMRNJKUCB-BHDDXSALSA-N 448.652 4.575 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CC)C1)c1ccccc1 1507927754 CMXKODKBGNZLKE-KAMZKSLDSA-N 438.616 4.988 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCCCC1=O)C1CC1 1507988229 KUYJEUCYAJNQAN-UHFFFAOYSA-N 435.616 4.800 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1Cc2ccccc2[C@H]1C)C(C)C 1508012571 GYTPFRNJQVNBGI-JCTONOIOSA-N 435.616 4.562 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H]2CCC[C@H]21)C(C)C 1508012589 HACURMJIBBJIEL-WMTXJRDZSA-N 436.648 4.751 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1508048195 WYPIXFHIJXDPMK-DYVFJYSZSA-N 426.508 4.618 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(I)ccc1F)c1ccc(F)c(F)c1 1517411659 RLOUAQBJALWASF-INIZCTEOSA-N 431.195 4.756 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1nc(C(C)C)ncc1OCc1ccccc1 1519433580 VFWZBUXIBOFSAP-UHFFFAOYSA-N 426.520 4.879 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)cc1 1520445965 SNSUUYPORCYIJR-UHFFFAOYSA-N 435.568 4.637 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)c1 1524540170 HPPDILMWLNLTTM-PMERELPUSA-N 434.395 4.610 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1525235973 OYUHAOFYJYKUJP-KGVIQGDOSA-N 431.363 4.816 30 10 IJEE C=CC[C@]1(C(=O)N2CCC3(C=Cc4ccccc4O3)CC2)CCCN1C(=O)OC(C)(C)C 1533805696 MUEKAQKFNCWWPF-AREMUKBSSA-N 438.568 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1ccc(C)cc1 1538973463 MQOZNJSABKNGEF-HZPDHXFCSA-N 426.362 4.606 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cccnc1OCCCC 1539362833 GURATIVABSYWAK-UHFFFAOYSA-N 428.540 4.508 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCC2)C1 1539578857 CQTZCHHOZGPSJC-OAHLLOKOSA-N 435.341 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1c(C)nn(C)c1C 1539652609 ZHZZPMPBNBYUIM-UHFFFAOYSA-N 443.393 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1539656585 YRAIWUGAMCAGJX-UHFFFAOYSA-N 436.556 4.998 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1539744639 RUHXCYVZEOKDIP-NRFANRHFSA-N 440.563 4.767 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2ccccc2)C1 1539759921 OHWXSGSQEQHGEH-YTFSRNRJSA-N 438.616 4.783 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1539971370 FBZHNRYZVGVPJR-DEOSSOPVSA-N 430.600 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F 1540147919 PYJVLUSMCFPTCC-UHFFFAOYSA-N 433.459 4.545 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(C)(C)c2ccccn2)C1 1540883848 FXALUAJXHJYBCX-DHIUTWEWSA-N 445.611 4.974 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@H](C)c2c(C)noc2C)n1 1542582227 FKSCTYVXWHYVBF-QGZVFWFLSA-N 435.576 4.823 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@]23CCCC[C@@H]2C3)c1 1544300196 VFCWUXABBBPWLS-JPYJTQIMSA-N 444.984 4.784 30 10 IJEE CCOC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)[C@H](C)CC#N)CCCC1 1547932104 CGKGWVIDDRJFHL-HXUWFJFHSA-N 425.577 4.562 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)nc1 1562417942 AGIZGSVCEDXWPT-UHFFFAOYSA-N 433.899 4.753 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)Cc3cc(Br)ccc3F)cc21 1563315130 FKDZJQHNYCESKV-ZDUSSCGKSA-N 431.309 4.877 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1oc2ccccc2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1563733720 BJKPOJIUWTVRJO-SFHVURJKSA-N 439.556 4.847 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC)C(C)(C)C 1584732855 HAPPHRRRSZVBFX-UMXIMWEHSA-N 432.564 4.652 30 10 IJEE CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 1586895365 FZTPBDFLNZDRDI-HXUWFJFHSA-N 437.565 4.792 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(OC2CCCC2)nc1 1587939618 BKDVOFLXFGKRIT-UHFFFAOYSA-N 439.922 4.572 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(CC)C1CCCC1 1589442942 GVYIDCNHQLDZQE-UHFFFAOYSA-N 428.378 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CCC(F)(F)F 1589559632 TXFBIYBRGXRXCL-FPOVZHCZSA-N 436.522 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C(C)C)N1CCCC1 1589609215 UYMPHPMKXFCAFK-XMMPIXPASA-N 447.631 4.858 30 10 IJEE C#CC1(F)CN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)C1 1589646692 PQJMQRLASYJLEP-UHFFFAOYSA-N 448.567 4.508 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)c(COC)c1 1589694699 QLMLRQOLSDHREZ-IFMALSPDSA-N 444.595 4.933 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1594128782 WEEGDWILRNCGNA-NVQXNPDNSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](CC)O[C@H](C)C1 1594473239 NXHDJXKWMVPUSG-MSOLQXFVSA-N 428.577 4.568 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1594572676 IIZIZLZDFRCGML-HXUWFJFHSA-N 445.558 4.967 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCN1CCC 1595200489 FPAOBFWUNDUTID-OAQYLSRUSA-N 432.616 4.880 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1595243636 CTFFNZYONOSPQR-UGKGYDQZSA-N 425.602 4.559 30 10 IJEE C#C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 1612454315 PKCLBINUPLCXLA-LJQANCHMSA-N 447.944 4.599 30 10 IJEE CCCCN(C)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC#N)CC1 1614498105 GQGWQXJUJLCLGZ-UHFFFAOYSA-N 445.615 4.664 30 10 IJEE C#C[C@H](N[C@H](C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)C(C)(C)C 1621365964 DIXNXGYXFZAPSF-APWZRJJASA-N 426.582 4.946 30 10 IJEE Cc1nc(-c2ccccc2NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cs1 1624438668 GEXCFHDKKROJBS-UHFFFAOYSA-N 431.565 4.776 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(N3CCCC[C@@H]3C)ccc21 1624706054 DVRYKIJOCNCQCF-SIKLNZKXSA-N 439.600 4.651 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc2oc(C(N)=O)nc2c1)c1ccc(C(F)(F)F)cc1 1627280746 FEACOSPMOFNGEW-HNNXBMFYSA-N 432.402 4.775 30 10 IJEE CCN1CCN(Cc2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)CC1 1629903508 CVQLQYWAHKRTRM-UHFFFAOYSA-N 439.563 4.692 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccc(C)cc1Br 1635446513 STCZZQZNXMNNFC-UXHICEINSA-N 433.346 4.796 30 10 IJEE C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1636156613 AVVJOEIOGFQBQQ-DEOSSOPVSA-N 428.573 4.780 30 10 IJEE C=CCNC(=O)CNC(=O)c1sc2ccccc2c1CSc1ccccc1Cl 1637325514 ULMQHPBKPGZAAI-UHFFFAOYSA-N 430.982 4.879 30 10 IJEE C=CC1(CC(=O)Nc2ccc(SCCN3CCCC3)cc2)CN(C(=O)OC(C)(C)C)C1 1639720877 RXLIMYWKDWJAFC-UHFFFAOYSA-N 445.629 4.626 30 10 IJEE N#Cc1ccc(CN2CCOc3c(Cl)cc(Br)cc32)c(OC(F)F)c1 1643317557 CPNZLQDLIBRRKY-UHFFFAOYSA-N 429.648 4.975 30 10 IJEE C=CCN(Cc1ccc(C(F)(F)F)nc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1652205778 BGMVKNFVRYCSII-QGZVFWFLSA-N 426.866 4.916 30 10 IJEE C=C[C@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1)C(=O)OC 1652358243 SGBGDGROWMKHOA-KRWDZBQOSA-N 449.454 4.781 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2F)C(C)=O)nc2cc(Cl)ccc2c1=O 1652366056 WOIDZDVXLHGBLB-IBGZPJMESA-N 434.895 4.807 30 10 IJEE N#Cc1ccccc1S(=O)(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 1660830481 BJOFNXUJZIEBOP-FQEVSTJZSA-N 445.313 4.528 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(Cl)ccc1I 1662046193 WDHCOAURKGYNPW-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1OC 1663210525 LEUFFLYGXAOBOT-BZSNNMDCSA-N 436.980 4.791 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(Cl)ccc2ccccc12)c1ccc(Br)cc1 1663547662 AXESGMIVUPVJKL-SFHVURJKSA-N 434.742 4.909 30 10 IJEE C=CCC[C@@H]1CCCN1S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1665938687 VRSAVGKDNYOVEB-OAHLLOKOSA-N 427.389 4.692 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CCOCC1 1666408444 FMCQSSGVLNNAQC-UHFFFAOYSA-N 429.314 4.935 30 10 IJEE CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1666748711 BWJMHUWACGSMMB-UHFFFAOYSA-N 433.249 4.555 30 10 IJEE CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1667010588 AIKGXJGDBKMGRU-QHCPKHFHSA-N 447.608 4.884 30 10 IJEE C#C[C@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Br)cc1 1669597709 LOJHXHRBKVYVOG-SFHVURJKSA-N 430.733 4.800 30 10 IJEE N#Cc1sc(NC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)nc1Cl 1672173220 FLTDFICRBZXNJZ-UHFFFAOYSA-N 448.939 4.902 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(OCc4ccccc4)c3)CC2)cc1 1673581749 AYGQNTBWXIUQEV-UHFFFAOYSA-N 440.547 4.877 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)cc1 1675876801 IJTWOFGOPSGPNM-UHFFFAOYSA-N 426.480 4.977 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1)c1ccc(Br)cc1 1676805844 ZJINTTVPHDXXAT-YWZLYKJASA-N 442.357 4.607 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1679797502 JVIYURUNVZWXLP-LSWJPFSZSA-N 439.353 4.648 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1683815227 UJBAEERKROXQPG-CLAROIROSA-N 427.589 4.824 30 10 IJEE C#CCN(C(=O)NCC(C)(C)[C@@H]1CCCCO1)[C@H]1CCOc2ccc(Br)cc21 1684376664 FUAGVYUOIUOFCD-ICSRJNTNSA-N 449.389 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCCc1nc2c(s1)CCCC2 1689863499 VJXBZVGVBUIXOV-IBGZPJMESA-N 449.624 4.592 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1689882732 KCEJJTWDBYECNQ-FQEVSTJZSA-N 449.624 4.702 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1csc(CC)n1 1689885666 QHZCHSILBQGEHQ-UHFFFAOYSA-N 445.596 4.590 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCC1CCC(OC)CC1 1689973264 AHTHGDXOKGGQJG-UHFFFAOYSA-N 438.616 4.954 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(CC)s1 1690008225 AOGPRQDCDCRFII-UHFFFAOYSA-N 429.376 4.997 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1 1690221920 CSBFEOSKCPHHDQ-UHFFFAOYSA-N 440.370 4.956 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@@H](C)N(C)C)CC1 1690368871 OVCUDMGZOFRLDM-QGZVFWFLSA-N 425.577 4.919 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 1690398852 IETOZRUMUCDVBP-UGKGYDQZSA-N 438.563 4.547 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2c(C)sc(C)c2Br)CC1 1690417288 LZYNJAHCTFKYDX-UHFFFAOYSA-N 439.423 4.706 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H]1CCCCO1 1690473780 HEQAPRXXABKVEI-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@H](C)C1 1690563349 OJLQNPMXZTUUTR-VXKWHMMOSA-N 430.600 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1CCC[C@H](C)C1 1690588105 JCFFDRIUPPOFGL-SFHVURJKSA-N 429.012 4.682 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@H](C)C1 1690602316 LRPPNQGWVOYZKN-VXKWHMMOSA-N 432.616 4.629 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCCc1nc2c(s1)CCCC2 1705503511 XPBOXRSOMIWCKY-LJQANCHMSA-N 449.624 4.592 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc(C)c(C)s1 1705588742 JDRIURGJLKJXNQ-HXUWFJFHSA-N 447.608 4.619 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCC1(F)F 1705596013 OQGHTWDOWBVFRH-FQEVSTJZSA-N 449.505 4.889 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1705690013 HXZFNCRLOQCATH-GDBMZVCRSA-N 428.378 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC1 1705696267 MIWUKIIIUKENEH-PKOBYXMFSA-N 431.378 4.597 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 1705723502 YCQPUNONMISECV-KRWDZBQOSA-N 437.357 4.674 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C(C)(C)C)C1 1705739911 VUKIBWWLKQGEMU-OAQYLSRUSA-N 426.605 4.885 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](COC(C)C)C1 1705748967 GVTYECWZQALVGH-HNNXBMFYSA-N 445.778 4.635 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(OCCC)nc2)CC1 1705779194 YXZCNFSRXJNUMB-UHFFFAOYSA-N 433.556 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1705792205 OXYZVQYIBYLXPR-UHFFFAOYSA-N 437.632 4.740 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705792848 CZUIDMCMXDXIKG-PMACEKPBSA-N 429.008 4.987 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705803362 OCSRZLJAFJQUTK-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CC(F)(F)c1ccccc1 1705880876 SNSOLVNNNFHPLE-UHFFFAOYSA-N 435.478 4.960 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2[C@@H]2C[C@H]2CCC)C1 1705919956 NKHTXUPOFFUSLX-RBSFLKMASA-N 437.407 4.912 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2[C@@H]2C[C@H]2CCC)C1 1705920617 BBYVZZKOUINTFL-GPMSIDNRSA-N 431.378 4.850 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)C[C@@H]1C 1708024856 FOCDSSQHFFHRKP-FUSMBFRDSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCC1(F)F 1722287891 SDPAKQQXRQNLSS-GJZGRUSLSA-N 437.332 4.991 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](C)N1CCCCC1 1722344660 ARCQWPSFKPJMFW-IBGZPJMESA-N 425.646 4.609 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOc1ccccc1 1722378390 BJOSVKMOAIFQQA-HXUWFJFHSA-N 444.604 4.673 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(SCC)c1 1722395149 RUYJWASFXSSYDP-UHFFFAOYSA-N 435.984 4.617 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 1722487026 HVRKDTDEUFPJSR-UHFFFAOYSA-N 447.421 4.756 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CCC)CCC 1722494819 SICUMDJSKXYICU-RBBKRZOGSA-N 439.604 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1CCC[C@@H](C)C1 1722515369 QNBQQXFVXTVAGS-GOSISDBHSA-N 430.666 4.547 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1722520206 YEGCDVHTBVXUAB-CEWLAPEOSA-N 439.604 4.746 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(F)F)c1ccccc1 1722539390 OVUFKHFETQVYMJ-UHFFFAOYSA-N 436.304 4.841 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2ccc(Cl)nc2C1 1722555145 WYXFFZCZOWNELO-UHFFFAOYSA-N 444.366 4.838 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1722567960 SUKRKKKHIRRDSQ-FQEVSTJZSA-N 428.024 4.943 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1722597486 SXIILRCXESQRRX-QHCPKHFHSA-N 442.567 4.865 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnc(C)s1 1722599525 XILNEGBLVSUICF-UHFFFAOYSA-N 438.601 4.905 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](COC)C1 1722623825 MONZXDLKLPKLGJ-HXUWFJFHSA-N 426.605 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C1CC1 1722661959 SOQCRSPIWXHQOX-GOSISDBHSA-N 429.977 4.673 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCC1CCN(CC)CC1 1722664357 XLLGLVRRDKUSEI-JOCHJYFZSA-N 443.661 4.896 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1csc(-c2ccco2)n1 1722670575 PPBMPPUNWZXBDB-UHFFFAOYSA-N 435.528 4.951 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2sc(C)nc2C)C1 1722713497 CCWGCZHOYZSJJL-QGZVFWFLSA-N 444.004 4.696 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](SC)C(C)(C)C)C1 1722722441 OGUGHYXWJCMWLT-UXHICEINSA-N 448.608 4.555 30 10 IJEE Cc1nc(CCn2c(C(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)sc1C 1724080674 CEMDWQSZSKYYEE-UHFFFAOYSA-N 432.597 4.883 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)C1 1727304192 HJLDVBYRKXSOII-ZJSXRUAMSA-N 434.613 4.808 30 10 IJEE COc1ccccc1[C@H](Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)CC#N)N1CCCC1 1730257331 DGSHUEIIUVITDA-UGKGYDQZSA-N 436.604 4.520 30 10 IJEE COCC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1730519027 IFNVOUBGFQFLMR-QHCPKHFHSA-N 439.629 4.826 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](COCC)C1 1740582932 SMVILRHXVKUHLV-SFHVURJKSA-N 445.405 4.682 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC(C)(C)C1 1740710189 WKCDQZVVLBKJAQ-LJQANCHMSA-N 442.629 4.810 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCCC[C@H](SC)C1 1740722638 LAWYNCVIUHRLEB-FQEVSTJZSA-N 444.670 4.508 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1740743668 BBOILBFGAAOMSY-LJQANCHMSA-N 430.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1740757733 XGIREHKLRXUPAV-DHJUGAMNSA-N 425.964 4.710 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1740792703 KHMHDNGQWQTHMY-OAQYLSRUSA-N 440.588 4.874 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCC(N(C)C(=O)OCC)CC1)c1ccccc1 1740796559 BTNAPJONNHEQMH-GOSISDBHSA-N 425.577 4.562 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC(C)(C)C)CC1 1740802495 ADLVMBQRAXJAQT-UHFFFAOYSA-N 442.789 4.572 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2c(CC)noc2C)CC1 1740840175 XNUNRQPFXWPCDH-UHFFFAOYSA-N 425.964 4.832 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1740858827 AWTFDNYFAQCFRM-XMMPIXPASA-N 449.599 4.728 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccccc1 1740864843 GBSPUDHKDGESJK-FQEVSTJZSA-N 435.597 4.967 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC1(OC)CCCCC1 1740918724 UFKUSRUJOMUDFF-UHFFFAOYSA-N 431.584 4.806 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2CN2CCCCC2)C1 1740972940 PABNPWOYHRTXKE-URXFXBBRSA-N 437.632 4.607 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCC[C@@H]2C)C1 1740978500 WMBODVANXCKIML-PMACEKPBSA-N 444.023 4.644 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccco2)C1 1740984788 KAJVKMFJWGWRPD-NRFANRHFSA-N 436.556 4.712 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)C1(C)C 1746923976 IERRXKLWBFESNV-HMXCVIKNSA-N 439.629 4.600 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)C[C@@H](C)C1 1748735613 RTJXSWIIOMPJIQ-IYBDPMFKSA-N 431.378 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)C1CC1 1749123235 CGKCYYZWYBYYQD-BEFAXECRSA-N 431.378 4.678 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749183080 NINAKYACWCXLRN-UYAOXDASSA-N 428.577 4.712 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 1749266466 IBRPZGCNKCRHML-INIZCTEOSA-N 442.894 4.519 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(C)CCOCC1 1749592054 AJFAPSOFLXNCTF-SFHVURJKSA-N 444.645 4.587 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC=C(Br)C3)nnc2C(C)(C)C)cc1 1749686355 UCKRKMKFSKNMMP-UHFFFAOYSA-N 431.378 4.678 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1749749668 OCORHXRTCHQQEB-PMACEKPBSA-N 442.629 4.516 30 10 IJEE C[C@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)C1 1752055486 IBXAPBNRYDPVEP-DLBZAZTESA-N 436.947 4.569 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1ccco1 1760366173 RRWNOKFHOVOOPG-SFHVURJKSA-N 425.920 4.834 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(CC)(CC)SC)CC1 1760385374 SSHDNQWKWBILPS-UHFFFAOYSA-N 428.602 4.795 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)S[C@H](C)C1 1760412895 UEAAYRKTUXYAJW-FUHIMQAGSA-N 428.602 4.723 30 10 IJEE C=CCCCCn1c(N2CCS[C@@H](C)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760430872 WVIRBODHYYRPNT-HCXYKTFWSA-N 449.665 4.735 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1760438383 GLMFMFNDRJSWSG-WOJBJXKFSA-N 429.609 4.641 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)C(C)C 1760447386 KGHRCNFJKQVIDT-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCOCC1 1760499722 HJEYELMDXOJDHT-UHFFFAOYSA-N 444.938 4.992 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760532719 CNORFOCEEAJPHN-NRFANRHFSA-N 448.615 4.727 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1760695424 HESCQROHHJYMBS-SFHVURJKSA-N 429.996 4.858 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCC1(C)C 1768993113 FCQVFZIBHKRVBW-SBUREZEXSA-N 443.592 4.847 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccn23)cc1 1858242160 SDDLQAKTSUJMTM-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE N#Cc1ccc(COc2cccnc2NC(=O)COc2ccc(Cl)cc2Cl)cc1 1858753668 NSOXBKVJUSOXMP-UHFFFAOYSA-N 428.275 4.857 30 10 IJEE Cc1ccn2cc(C(=O)Nc3cc(NC(=O)c4cccc(C#N)c4)ccc3Cl)nc2c1 1860460412 JVVXCIMYQGVCFM-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860935395 KQANAZMLIMTYRK-FQEVSTJZSA-N 430.568 4.601 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccc(C)cc1 1861081928 MMMHVQYXTFVGKJ-RUZDIDTESA-N 438.612 4.837 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861190980 WCOIRABDOZUCEZ-LADGPHEKSA-N 445.623 4.505 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2Cl)cc1C 1862403383 UPGLKXPCQCLLSO-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccncc2)cc1 1862413979 PGAPWUSFMBPQHH-QFIPXVFZSA-N 434.442 4.701 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 1862474928 YWGOEKNHYIVFAZ-HSZRJFAPSA-N 438.543 4.834 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862476404 KKDOXVQMRALWRZ-NRFANRHFSA-N 426.944 4.569 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCN(C)C)cc1 1862543386 FXJWKHXGTQIVLF-RUZDIDTESA-N 446.591 4.794 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCO)cc1 1862549334 MXXGJQFYYRMBPJ-DEOSSOPVSA-N 447.575 4.824 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Cl 1862675359 ITUGRSWNSYQGKM-HXUWFJFHSA-N 431.891 4.873 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(C)c1 1862687121 GYVUTPDAYVTVBD-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863254090 LQYZBCDEPYYGDQ-UHFFFAOYSA-N 435.527 4.918 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3cccs3)C2=O)c1 1863401804 IABZSJVLDNUJCI-UHFFFAOYSA-N 427.529 4.671 30 10 IJEE CCCCCCCCNC(=O)c1cn(-c2ccc(N3CCCCC3)cc2)c(=O)cc1O 1870128473 XKSAHVQBWHQQMF-UHFFFAOYSA-N 425.573 4.624 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870560171 KHTRXDOOWASJTL-UHFFFAOYSA-N 440.587 4.672 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCC[C@H](C)C1 1870630311 NJXYTVGKAJNAFK-QFIPXVFZSA-N 447.664 4.688 30 10 IJEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CNc1cccc(C)c1C 1870834041 YCODSTDJFXUDJK-NRFANRHFSA-N 445.563 4.519 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1871007593 JLZUVVJRVAJRNZ-UHFFFAOYSA-N 437.628 4.892 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)cc2)C4=O)cc1 1871345708 HSESARDMMHIYLK-CFRMEGHHSA-N 441.483 4.750 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccccc1Br)C2=O 1871413112 UCNYARQUWFOKCG-PDGQHHTCSA-N 431.282 4.706 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCOCC2)n1 1871566706 DBNIENCLYXBOQZ-UHFFFAOYSA-N 433.000 4.608 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(C)(=O)=O 1871795969 QDTVWNPPSJNXTP-SFHVURJKSA-N 427.353 4.511 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872146616 RSNAMOZEGITKKB-JOCHJYFZSA-N 429.586 4.765 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCC)cc1)c1ccccc1)S(=O)(=O)CCC 1872178661 VRVSCNRWCIKHAA-QHCPKHFHSA-N 444.597 4.773 30 10 IJEE COc1ccccc1-c1csc([C@@H](C#N)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1872766694 JKPXGEJVZYYSDX-KRWDZBQOSA-N 448.504 4.817 30 10 IJEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCC(C(=O)NCCCCC)CC2)CC1=O 1872927741 DGZILXIGILWIRW-QHCPKHFHSA-N 449.680 4.521 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(=O)OCCCC)=C(c2c(C)cc(C)cc2C)C1=O 1873330614 MBWQWRBNSZJSIV-UHFFFAOYSA-N 446.547 4.947 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666604 QRDLSAMPADGMAE-CALCHBBNSA-N 428.540 4.833 30 10 IJEE CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cn(C)c2ccccc12 1874261749 QFPKIUVECSJOKO-BHGWPJFGSA-N 427.480 4.621 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)cc1 1874302716 MSTRZYSVUFREEC-JVWAILMASA-N 447.539 4.976 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc[nH]1 1874311052 ARUHDQUJNQVBHK-WGOQTCKBSA-N 431.565 4.883 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2/N=C/c2c(F)cccc2Cl)cc1C 1874332002 QHPZQOGDDRTORD-AFUMVMLFSA-N 446.979 4.829 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2C(=O)O)c1 1874461479 PDRWFQYIIAXSBU-YSURURNPSA-N 434.443 4.786 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2c[nH]c3ccccc23)c1 1874483691 HYLRVJALVAIVQX-VULFUBBASA-N 446.580 4.978 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2F)c1 1874483747 LIOGRMDIXHVXJD-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(Cl)c2)c1 1874511767 ONVLRMUKPLXORO-FSJBWODESA-N 427.961 4.976 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccccc1Cl 1874517929 RCJRDGYHCCQNTL-ZMOGYAJESA-N 439.972 4.984 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Cl)cc1OC 1874581355 JOPLVWBOWPIKKO-CSKARUKUSA-N 433.907 4.939 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)OC)c2)cc1OCCC 1874594439 KJMMHHISSPQXCU-JXMROGBWSA-N 442.508 4.721 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1 1874706750 XOTSJNVUSUOFOR-ZRDIBKRKSA-N 447.443 4.656 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)c(Br)cc1OC 1874709674 NMUQSMMQWRDOPP-FNORWQNLSA-N 425.225 4.947 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)cc1 1875112419 HTBMWTYNPOOYIU-NTEUORMPSA-N 432.472 4.757 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccccn1 1875151700 YQYPAKZPYGHXMY-CSKARUKUSA-N 443.455 4.663 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc(Cl)cc2F)CC1 1890505545 FBFMAZGPMQBHMG-UHFFFAOYSA-N 430.892 4.922 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)cc2F)NCC)C1 1892683957 GXMPTQREEMEGKY-KRWDZBQOSA-N 427.358 4.722 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCCCC[C@H]1NC(=O)OC(C)(C)C 1922058295 VTMBEASYWGTRKX-UMFSSWHCSA-N 446.632 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922073795 HOUPRZPDCLTUMV-GOTSBHOMSA-N 426.557 4.818 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1984724336 NJAWHERIACTJID-FQRUVTKNSA-N 444.575 4.812 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2020332018 JRIOJBRMTQIWID-ZCNNSNEGSA-N 437.625 4.615 30 10 IJEE CC(C)(C)OC(=O)c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1N 2079163069 AIGOAQOKOCJMOF-UHFFFAOYSA-N 427.320 4.646 30 10 IJEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C=NO)c2Br)cc1 2080073695 WCKUCAODVCYGOK-LJQANCHMSA-N 432.318 4.646 30 10 IJEE CC[C@H](C)[C@@H]1CSC(=Nc2ccc(I)c(Br)c2)N1 2081319185 LQWRYBJHJOQXCD-UFBFGSQYSA-N 439.160 4.792 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 2106029833 HDRUQOANHZHACB-GXTWGEPZSA-N 426.330 4.955 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(C#N)c(Br)c1F 2118157026 QYXWGJKZKFJZCB-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CNc1ccc(C#N)c(Br)c1F)C1CCC1 2137699462 FKIWCEFBPXWNAM-LJQANCHMSA-N 426.330 4.955 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2156367659 MLBFQANEUZMDBJ-IRLDBZIGSA-N 428.370 4.935 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1cc(Br)cc(F)c1C#N 2174770916 DCXNJZJTQPJFBH-UGSOOPFHSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CN(c1ccc(C#N)c(Br)c1F)C2 2174810025 HNZWNWRYBCSVQR-VLIAUNLRSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)Nc1ccc(Br)cc1C#N 2181107614 KCVKCBLCCPTGEU-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181109333 CWACBECBMQQETD-INIZCTEOSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CC=CCC1 2196078589 CHYOTFVNTNKQQR-DYVFJYSZSA-N 434.334 4.509 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C[C@H]1CCCCN1Cc1ccccc1 2219977835 YGTOQUFKFDPXCR-OAQYLSRUSA-N 440.462 4.534 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@]1(C(=O)C#Cc1ccccc1Br)C2 2235726946 PVYRYBVOFGBIEQ-QCMGHPBJSA-N 430.342 4.548 30 10 IJEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1 2241486486 PVCYJIYTUGOFJZ-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@@H](N)C#Cc2ccccc2Br)CC1 2283124537 SQFZGRPJDPDMPO-LJQANCHMSA-N 435.406 4.945 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@@H](O)C#Cc1cccc(Br)c1 2296225920 AFVIGXKGTDKQGA-KRWDZBQOSA-N 432.314 4.890 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2296268076 ABXMATJYIPWRME-WOUAJJJCSA-N 435.406 4.670 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C1(CC)CN(C(=O)OC(C)(C)C)C1 2296278683 GSUOBLHQZLDXEP-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@H](N)C#Cc3cccc(Br)c3)cc2C1 2296282563 YEOIEDCUJQGVHH-HXUWFJFHSA-N 427.342 4.751 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296294500 VAJDOCUYJHAAQK-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2ccc(Br)cc2)CCC12CCC2 2296297196 WIZGEOLXULWSOJ-PKOBYXMFSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2296302465 JJJGCTZURTWHDF-DKZVUGQWSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2296306493 HXTYXGAULJDIOY-ILZDJORESA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccs1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2300795863 CGXGKESRPQWUJD-PTUXOGIPSA-N 442.625 4.966 30 10 IJEE SCC1(COCc2ccc(I)c(Br)c2)CCC1 2306304395 FQCVSDMYBQQYKC-UHFFFAOYSA-N 427.145 4.670 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1OC 2321257149 SWKXCLQGQISGKY-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1ccccc1C 2321915016 FTQDUQUXGLPAQE-UHFFFAOYSA-N 436.459 4.754 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1OC)C3=O 2322114865 LOWPTOQVQRDQCL-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE C=CCOc1c(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Br)cc1OC 2322350379 WBCUCVQAKBXDAN-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cccc1OC 2322884495 NGJWQTFIJNHYFJ-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OC 2323078700 SPNWTGPBZCNUCM-UHFFFAOYSA-N 439.552 4.936 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 2324054897 FUVYFNGNVFDGSX-UHFFFAOYSA-N 447.443 4.850 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2324373418 OLYPCOWVTISSJJ-INIZCTEOSA-N 444.443 4.925 30 10 IJEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(OC)c1 2324451500 SNUXTABAWKOJOP-GOSISDBHSA-N 435.461 4.625 30 10 IJEE C#CCN(Cc1ccccc1)[C@]1(C(=O)O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2326297864 BUFPXAIBULEDQC-NDEPHWFRSA-N 430.592 4.944 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2327540909 CZHIFMCVXQIIAK-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccncc2)cc1 2330246179 LSJORVKFGQKIRF-UHFFFAOYSA-N 448.596 4.717 30 10 IJEE COCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1c[nH]c2ccccc12 2331305895 JZDGDIIHTDBMKH-UHFFFAOYSA-N 425.945 4.776 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1F 2331467652 QGLHFDHVFFEPFH-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C[C@H]1CC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339599209 CMPLISOKRJSKMB-YFOSEYIMSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2339602712 OMWITFVQINNKTJ-RGZASWLESA-N 442.365 4.505 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1 2342486497 WAIJNAUJGBQSPI-XMMPIXPASA-N 444.381 4.756 30 10 IJEE CC(=O)N(c1ccccc1)c1nc(COC(=O)c2c(C)oc(-n3cccc3)c2C#N)cs1 17188141 TUHNBKMLVCMPNO-UHFFFAOYSA-N 446.488 4.749 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)NC[C@H]2CCCO2)cc1 23602985 AIMWAKHOCLIOIO-HXUWFJFHSA-O 428.622 4.530 30 10 IJEE CN(C)c1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2F)c1 32943417 NKZPHDDKGQEDNE-UHFFFAOYSA-N 443.526 4.814 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 34954458 KZUWGVWZGXGDOK-ZROIWOOFSA-N 433.416 4.727 30 10 IJEE C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S/C1=N/c1ccncc1Cl 39864442 BCSUBYDNZGKQQM-USFSGSQCSA-N 445.928 4.551 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Br)c(OCC)c(OC)c1 62889087 VZRXTEMAHJWIRL-UHFFFAOYSA-N 449.301 4.593 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CNc1nc2ccccc2n1Cc1ccc(C#N)cc1 95085752 MLGFQDRONBGHQW-FQEVSTJZSA-N 431.540 4.768 30 10 IJEE O=C(NCC#Cc1ccc(N2CCCCC2=O)cc1)C1c2ccccc2Oc2ccccc21 96349349 GRKDPSOJPXZREL-UHFFFAOYSA-N 436.511 4.609 30 10 IJEE N#Cc1cccnc1N1CCCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 108971862 DVPDETOQIWXJBF-UHFFFAOYSA-N 443.498 4.808 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921668 UKOLGGBQEGZFEO-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2)c1 169935122 OZYPKSVJYCHIIW-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccccc1O 169942910 NAHAEFJTTOLIJO-DEOSSOPVSA-N 429.472 4.503 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 169953565 RKFRZTFAXNRVKM-QHCPKHFHSA-N 446.478 4.683 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)cc1 169972096 UDOLZTPDOHZTQF-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)c1 169982221 SCLIUJPYWBGERM-OAQYLSRUSA-N 434.517 4.606 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2cccs2)cc1 169988728 HAJDGPCRZNCTRN-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCN(c3ccccc3)CC2)C1=O 170042176 DBTPBQHFMOJZNF-UHFFFAOYSA-N 445.607 4.949 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)cc1 170054565 ODFGSNXRAFKAMM-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1F 170073018 XFQNZABHLQRQRL-QHCPKHFHSA-N 441.462 4.804 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170077424 QSFKHAVPRQGDNC-XMMPIXPASA-N 437.499 4.904 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(O)c2)c1 170083009 UJTURHLRQMGUAM-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(OCC(C)C)cc1 170167465 GNDDAMJZPOTXFN-HSZRJFAPSA-N 435.520 4.645 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2cccnc2)cc1 170186126 WZYBNBVDOZPEQO-QFIPXVFZSA-N 432.451 4.575 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)ccc1Cl 170212007 PSGFKWSPOFVNKA-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2C)c1 170271082 ZGEJKSFDLRNBOP-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1Cl 170305143 MHHFZPXDGRQGEA-OAQYLSRUSA-N 448.862 4.905 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCCC(=O)c2ccccc2)nc2c(C)cccc12 170509430 DXONJYDPLQLABO-UHFFFAOYSA-N 437.503 4.901 30 10 IJEE COc1cc(C=NNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc2sc(=O)oc12 254392736 AKDZHKLTFCCQTD-UHFFFAOYSA-N 440.296 4.884 30 10 IJEE C=CCn1cc(Nc2ccccc2Cl)n(CC(=O)c2ccc(OC)nc2OC)c1=S 334162328 MKKGMSUCWBATMP-UHFFFAOYSA-N 444.944 4.897 30 10 IJEE CN1CCC[C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)[C@H]1c1cccs1 487884676 SXIYWCWPMHTERI-KSSFIOAISA-N 433.375 4.587 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 511025781 FNRRMGYMZWROMW-UHFFFAOYSA-N 432.499 4.711 30 10 IJEE CN1CCC[C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)[C@@H]1c1cccs1 525040438 FYHOBJQWFYLVGN-XMSQKQJNSA-N 435.549 4.605 30 10 IJEE CCOc1cc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526488048 CWYNDKDXZMPAHZ-HSZRJFAPSA-N 430.435 4.859 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])o2)c1 526604501 NJBMQZYIKADHCW-JOCHJYFZSA-N 445.431 4.905 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccncc2)cc(Cl)c1OC 526609421 QNJKXJQQEWZXAO-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE Cc1ccc(SC2=C(N(C)Cc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526685099 KEVORNAJPPOUGV-UHFFFAOYSA-N 439.540 4.876 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Br)ccc1OC 526801318 KGBKOUYSIVYANM-JJFYIABZSA-N 449.349 4.925 30 10 IJEE C=C(C)Cn1c(SCc2nc(CC3CCC(OC)CC3)no2)nnc1-c1ccco1 545131435 BKEILDNYSTXICO-UHFFFAOYSA-N 429.546 4.537 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)c2ccc(OC)cc2)CC1 549251792 BJWPWLSYFPFLNO-UHFFFAOYSA-N 444.579 4.861 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 549604301 ZDCHJBJVLWFOIL-MQNAVGNWSA-N 434.515 4.636 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2ccccc2)CC1 555184225 ZMGRHFMRGJFLAZ-UHFFFAOYSA-N 436.357 4.690 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@]2(CCCOC2)C1 555289706 YSOPHHCNAHFSLI-CJFMBICVSA-N 440.588 4.790 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 558452235 FNAFFVMWLVTTQD-HNNXBMFYSA-N 442.491 4.537 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 581501544 BVSGTOQJTNFZFQ-WMZHIEFXSA-N 436.531 4.677 30 10 IJEE CC(=O)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586254736 MWWSDLIJVXJYIA-UHFFFAOYSA-N 448.544 4.944 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 591316472 SKLPNHLUNGOGIH-OAHLLOKOSA-N 439.493 4.713 30 10 IJEE C[C@@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 736925346 DFKCHLRNNHYLTM-GFCCVEGCSA-N 439.518 4.541 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)c(F)c1 796586699 BIOWESLVZMDVLD-UHFFFAOYSA-N 444.535 4.830 30 10 IJEE C=CCCc1ccccc1NC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C 799900724 OKKFWYVDQHCQHR-UHFFFAOYSA-N 431.627 4.953 30 10 IJEE Cc1ccc(NC(=S)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1F 1084167068 MECDLRPWHNCDEM-UHFFFAOYSA-N 437.496 4.732 30 10 IJEE C#C[C@H](NC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F)c1ccc(Cl)cc1 1129604824 LVNZIRQIAIFQKX-KRWDZBQOSA-N 430.817 4.997 30 10 IJEE C[C@@]1(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCN(Cc2ccccc2)C1 1130609101 BJPCMXNGIHFXBS-AREMUKBSSA-N 429.495 4.884 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CC)[C@@H]1CCCc2ccccc21 1134094079 XLVCENUAJRBNID-HSZRJFAPSA-N 444.604 4.905 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 1140505307 NFSCMEPQTKUDOB-JOCHJYFZSA-N 440.588 4.943 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1163598253 JFCPWPORNOFFRR-JKSUJKDBSA-N 437.590 4.557 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CC[C@H](Oc3ccc(Cl)cc3)C2)ccc1Cl 1170592708 GNNUDEFNKPSIKK-FQEVSTJZSA-N 432.351 4.702 30 10 IJEE C#CCN(Cc1c(F)ccc(Br)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 1197769886 PGENUYBCDMEETQ-UHFFFAOYSA-N 443.332 4.562 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1nc(Sc2ccc(OC)cc2)ns1 1218976244 SGVBNMMIXZKHFW-UHFFFAOYSA-N 426.567 4.961 30 10 IJEE C#Cc1ccc(NC(=O)NCCc2ccc(OCCN3C[C@@H](C)[C@H](C)C3)cc2)c(Cl)c1 1220235474 WGPDBEXDHXNBET-RTBURBONSA-N 439.987 4.652 30 10 IJEE C=CCCC1(CNC(=O)NC2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)CCCC1 1221683125 BZIVVYQUINPPIX-HSZRJFAPSA-N 425.617 4.997 30 10 IJEE CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1227726249 FSTXCGPXYBDYQO-IBGZPJMESA-N 429.923 4.925 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1 1233553844 LZWRUSCJLZMIEO-SXSPYAJSSA-N 435.568 4.897 30 10 IJEE COc1cc(C#N)ccc1NC(=O)c1cnc(-c2cc(Br)ccc2OC)s1 1267665127 BLPKAVPYZZFBGL-UHFFFAOYSA-N 444.310 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)c1cccs1 1286276903 ZQXBYJWNVZMFCL-AWEZNQCLSA-N 446.418 4.543 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(CC)s1 1286284176 YWWLOGWQCIYPSX-ZDUSSCGKSA-N 447.377 4.977 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286365458 XJAURLZXGSKRGH-DENIHFKCSA-N 446.599 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCCOCc1ccccc1 1286524425 HEVCNPCUGYEKMO-RUZDIDTESA-N 434.609 4.920 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC=C(C)C1 1286560702 HXFSSZUZACLHRT-FXAWDEMLSA-N 443.389 4.845 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(=O)OCC)CC1 1286584529 MCIAPHPIOHKVIW-UHFFFAOYSA-N 445.976 4.668 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCN(C)CC(F)(F)F)CC1 1286657396 YSEPZRITGRGXOQ-FQEVSTJZSA-N 435.538 4.717 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCC2CCC(OC)CC2)CC1 1286663954 MTDUHILYMIGRHP-UHFFFAOYSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1286666468 FAMQZBAGVFRCHF-PMACEKPBSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286668847 VPPMHWINUVDKBW-HOYKHHGWSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](C)C3(CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286675826 DFHVXMAAOVEDPF-CJFMBICVSA-N 430.637 4.938 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](C)(CC)C1 1286708011 MERPDSCASRZNOF-LJQANCHMSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C(F)(F)F)cs1 1286713377 FAXFTUYIFFZOBK-LBPRGKRZSA-N 441.454 4.703 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1CC 1286730821 PCHUHHZHXTVWSQ-QGZVFWFLSA-N 438.403 4.661 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1CC1 1286736465 CBCCJXTWTQJMND-QGZVFWFLSA-N 445.633 4.731 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C)n1CCCNc1ccc(C(F)(F)F)cn1 1286743460 HUMDLUJHTNDLMQ-UHFFFAOYSA-N 430.478 4.695 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC=CCC2)C1 1286813708 AFMYRPAIMLKOEE-UXHICEINSA-N 440.613 4.717 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCCN(c2nccs2)CC1 1300352834 DFTHULVPFSVBMT-UHFFFAOYSA-N 441.004 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCO[C@@H]1C(=C)C 1300437992 CBCNGYXPCJFDMO-HNAYVOBHSA-N 426.973 4.864 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC1CCN(Cc2cccs2)CC1 1300446597 MJBAUFGZUMMCHY-UHFFFAOYSA-N 440.016 4.642 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](CC=C)c1ccccc1 1300475873 AYYBRRBSRMVMLX-YADHBBJMSA-N 449.599 4.779 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CN(C)C 1300603160 XNFJJTNZSCZEFV-IBGZPJMESA-N 446.039 4.736 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC1(C)C 1300626839 XPFPZFOQJZAOCE-PMACEKPBSA-N 443.636 4.678 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)[C@@H](C)CC 1300648645 GQSZAPQXEOPBKK-MHECFPHRSA-N 440.588 4.506 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1300768625 UZTQRWJLEITRKS-LJQANCHMSA-N 436.547 4.599 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCCCC1 1300873521 HFONNVRLUNPJQA-LAUBAEHRSA-N 430.980 4.969 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC=C(Br)C1 1300938678 CDKFXTSXEYRYES-UHFFFAOYSA-N 447.377 4.806 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCSC2)CC1 1301072996 UTYWVFVFLYLLNV-OAHLLOKOSA-N 449.418 4.626 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCCC(C)(C)C2)CC1 1301135463 XQVFFODGMWHVCC-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1301177991 CNGXTDFBKQJKRT-LJQANCHMSA-N 445.007 4.977 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCC1CCOCC1 1301277790 AHNIWSLDPCIJDS-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@H](c1ccsc1)N(C)C)C1CC1 1301330650 RIVXBUUJEDFBDA-OAQYLSRUSA-N 425.577 4.527 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1303065509 DZTUQPQJUJARAU-BWKNWUBXSA-N 437.636 4.617 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1304289710 AWKBQDIOSYPFRU-JOCHJYFZSA-N 442.600 4.755 30 10 IJEE C=CCOC[C@@H](NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)C(=O)OC 1308722084 GURQREYFPQKCAD-GOSISDBHSA-N 428.287 4.759 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(I)ccc2Br)C1 1310254281 BSETYSSAVXTPTN-LLVKDONJSA-N 449.130 4.874 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1C#N 1310781048 CGDRIROTWDHRAF-ZDUSSCGKSA-N 445.976 4.848 30 10 IJEE C=C1CCC(C(=O)NCCN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)CC1 1350047728 NDLWOTQBYCAQNZ-LFIBNONCSA-N 439.364 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCCCCC1 1358877586 HGYJRXDQCZLBGD-GOSISDBHSA-N 426.630 4.819 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1358907210 HTBVJMRJDAVAEZ-HOTGVXAUSA-N 449.418 4.578 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(CC1CC1)C1CCC1 1358934376 ZDGLIPZPVDCBPD-UHFFFAOYSA-N 443.389 4.802 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1(COC)CCC1 1358939316 UQFYFHLRUYYKFF-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN(C(C)C)C1 1359115921 QXUPIEXXYVFKRQ-QFIPXVFZSA-N 425.621 4.688 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1C[C@@H](C)O[C@H](C)C1 1359266720 KLSFEHRJMXGAPV-QRVBRYPASA-N 428.552 4.939 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)CC2=O)cc1 1434923749 BRHGBNJVCSVFDM-QGZVFWFLSA-N 431.879 4.996 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc3ccc(C(C)=O)cc3s2)CCCN1C(=O)OC(C)(C)C 1435954779 BOXKBRTWJVJBNW-QFIPXVFZSA-N 429.542 4.783 30 10 IJEE C#C[C@H](NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccc(Cl)cc1 1436649294 SFBXXWNNNHPQEI-PMACEKPBSA-N 431.761 4.730 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Nc4cccc(SC)c4)cn3)cc2C1=O 1437513938 BYQRGDGZNAUSCS-UHFFFAOYSA-N 444.516 4.581 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(Br)ccc21 1441953643 XKLXQEOANIFFOC-HNNXBMFYSA-N 443.769 4.764 30 10 IJEE C=CC1(CC(=O)N[C@H](CC(F)(F)F)c2ccc(C)cc2)CN(C(=O)OC(C)(C)C)C1 1447347069 NXNOLTJPOMIXQF-QGZVFWFLSA-N 426.479 4.918 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](F)C1 1452910589 JCDHXSSTUNQZDR-MHECFPHRSA-N 436.527 4.820 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](CO)c1ccc(Cl)cc1 1464715997 BTNZJQKVVPQVCW-KRWDZBQOSA-N 426.713 4.532 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1 1466438313 IEJHRCPBUZZAEN-SJORKVTESA-N 432.318 4.800 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 1467745163 ILJYTACVHRPQOC-UHFFFAOYSA-N 444.531 4.931 30 10 IJEE C=CCC[C@H](NC(=O)NCCCNC(=O)c1ccc(Br)cc1)c1ccccc1 1468545558 XBJXRBSVZMMNDB-FQEVSTJZSA-N 444.373 4.576 30 10 IJEE Cc1cc(C)c(C(=O)CCCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(C)c1 1469673756 CRFUAAJPQWVQRV-UHFFFAOYSA-N 431.580 4.617 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F 1470667147 POQZCYZDPPINIW-QZTJIDSGSA-N 429.706 4.883 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 1470785511 FGAHUDGFBNIINW-LWSSLDFYSA-N 439.600 4.858 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(Cc2ccccc2OCc2ccc(F)cc2F)CC1 1474307213 GHBXOKUDNDVLLI-RUZDIDTESA-N 433.502 4.926 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1476149674 DFLIWAPLDUXXLD-YJBOKZPZSA-N 432.590 4.990 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)c1ccc(Cl)cc1 1477239701 IUYGULNJWMIELL-PKTZIBPZSA-N 425.960 4.549 30 10 IJEE C=CCCC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCC1 1477355658 ZXEWONQKPHWSKI-UHFFFAOYSA-N 439.522 4.868 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1477772164 FEOOABPYXNYWPG-UHFFFAOYSA-N 444.531 4.950 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(CC)CC)C1 1499574826 BUHXFEQNDOUDOV-KNQAVFIVSA-N 432.572 4.729 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCC[C@@H]1CCCCO1 1504094859 CVEDRDINIPDXRR-AEFFLSMTSA-N 431.968 4.552 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H]2CCSC2)cc1 1505315100 HLRAVYIRZIBTQY-QGZVFWFLSA-N 435.519 4.739 30 10 IJEE N#CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)CC1 1505320943 APFCCTYNSIWXTM-LJQANCHMSA-N 431.993 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1507524117 UTHIBKHROUKMEE-ILZDJORESA-N 445.405 4.535 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H](C(C)C)N1CCCC1 1507699380 GGLJLWLIBYCHGN-NFBKMPQASA-N 425.596 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCCCC1 1507799195 VNRNUNNQLZPWGE-QUCCMNQESA-N 432.515 4.908 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCCCCC1 1507835510 CUFQQDSKBBSJBB-UHFFFAOYSA-N 425.577 4.510 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1507879050 PROOINMJNIYIIX-KRWDZBQOSA-N 439.947 4.626 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1507916309 OFEHEPCGJYFVTK-GGAORHGYSA-N 437.632 4.833 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1507941662 IDMXVYJOROUHJG-JTHBVZDNSA-N 432.616 4.874 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC(F)(F)F)CC1 1507947151 ZZAOFOULPDHNNQ-UHFFFAOYSA-N 446.477 4.729 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1507947363 CNVKWEPOJLGEOR-UHFFFAOYSA-N 442.007 4.908 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1scnc1C 1507975432 UDLIEGRKZSHHMT-UHFFFAOYSA-N 432.391 4.646 30 10 IJEE C=CCN(C)c1nnc(CCCc2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1507983155 RVGCCZJGSGETKR-UHFFFAOYSA-N 429.490 4.732 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)c1nc(C)cs1 1507986609 QXIBPHPRGLUSMJ-RDJZCZTQSA-N 446.621 4.541 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H]1CC)C1CC1 1507991372 OEHHFGZRLJLVJN-OALUTQOASA-N 442.007 4.843 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1Cc1nc(C(C)(C)C)cs1 1508039116 WKZYKHJOHVCKRG-UHFFFAOYSA-N 439.629 4.949 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1508119019 ZBLNSUNNFXQVLO-XWVZOOPGSA-N 438.616 4.807 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(F)cc2Br)CCCN1C(=O)OC(C)(C)C 1517815422 MCDQNLWRKOZJFV-HXUWFJFHSA-N 441.341 4.550 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](c2ccccc2)N(CC)CC)CCCN1C(=O)OC(C)(C)C 1521895614 JQUWWHXLHSTQFC-PXDATVDWSA-N 429.605 4.532 30 10 IJEE C=CCc1ccc(OC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)c(OC)c1 1523213355 YYAIIMOFLYTIQL-NRFANRHFSA-N 430.342 4.929 30 10 IJEE C/C(=C\C1CCC(C)CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1526183707 JWCYHHBJBVSANF-FWOTVGIMSA-N 445.629 4.991 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1C#N 1533753186 CHCKDKKWWYYNDF-UHFFFAOYSA-N 445.972 4.941 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c(Cl)c1 1539130900 AHNNONKONFYWCV-UHFFFAOYSA-N 431.348 4.984 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nc(C2CC2)cs1 1539162491 TXXZQQJIRIJAEJ-UHFFFAOYSA-N 435.597 4.822 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCC(C)CC1 1539651165 AROQDICNMZQNQK-NRFANRHFSA-N 447.631 4.858 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCCC2(CCCC2)C1 1539759740 XVOLRLFVWSIFBI-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1539820497 HDOFRHNEGZMHMI-ZDUSSCGKSA-N 445.778 4.920 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCCS2)CC1 1539897021 YSIYFFSYJAMCDW-IBGZPJMESA-N 428.602 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@@H](C)C1 1539907328 ZRSCPUOIPXJARU-AWEZNQCLSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539926005 GBNIQPXFECOEDH-JOCHJYFZSA-N 448.615 4.749 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1539929134 OALCSIVRTSTXDN-NRFANRHFSA-N 425.621 4.518 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1540062563 SNLFVNHWVPOBEW-LJQANCHMSA-N 425.577 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N(C)C 1540143395 XGDFNHBVJJJIRI-SFHVURJKSA-N 434.613 4.641 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2ccccc2[C@H]1C 1540919340 NYOHQKNNYMDSQC-MRXNPFEDSA-N 425.627 4.677 30 10 IJEE CCC1(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1546151046 FNNFLDBLTKUVRV-RUZDIDTESA-N 435.616 4.790 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)Cc1cccs1 1547547832 BLDIRBYXYHYBDG-GHTZIAJQSA-N 435.597 4.762 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc(OC)c1OC 1561182840 KZMFEHQIXLDWDL-UHFFFAOYSA-N 431.598 4.825 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)C1 1562296677 BZLCERRSIACFME-IAGOWNOFSA-N 429.952 4.783 30 10 IJEE C#CCC1(NC(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)CCOCC1 1562619869 NQMSHMUHPQTHMW-UHFFFAOYSA-N 437.971 4.987 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(F)cc1OC1CCOCC1)c1ccc(Br)cc1 1562782851 VFPMHLSYRWTUTQ-SFHVURJKSA-N 447.304 4.642 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 1564524182 HFVNMDGSFAPZOR-HXUWFJFHSA-N 433.552 4.900 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 1583244508 QBQOYPOMOHIVEN-CVEARBPZSA-N 437.721 4.753 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)C1 1584653378 KBRJOABIRTXGEQ-CYBMUJFWSA-N 429.364 4.785 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(Br)nc(Br)c1)c1ccc(F)c(F)c1 1585439476 UQKPSWGJCIEYCS-HNNXBMFYSA-N 446.089 4.932 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CSC3CCCCC3)c2)cc1 1586229454 LPTCNGQDHNTQTR-UHFFFAOYSA-N 444.622 4.969 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cc(COC(C)(C)C)on1 1587567875 LFTCSAPVUSFNLM-IBGZPJMESA-N 447.583 4.557 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](OC)C(C)C 1588089386 KIUYXHZKPBEWNF-QGZVFWFLSA-N 426.973 4.557 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCC[C@@H]1CC 1588581349 OABBYWIDRJGPPV-SFTDATJTSA-N 431.584 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](SC)C(C)(C)C 1589223798 QUWFAJHSJRYOPO-HYBUGGRVSA-N 426.630 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1589557134 GTPBSNUOYXXVNJ-URXFXBBRSA-N 426.580 4.862 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](COc2ccccc2)C1 1594003687 GMPYNBYPUDXRNZ-HMXCVIKNSA-N 445.007 4.855 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1594646401 XVGMFIVQYWHYHB-UHFFFAOYSA-N 429.559 4.972 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccs1)C1CC1 1595070713 KGENWCRBQKBSDG-CALCHBBNSA-N 443.617 4.508 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@@H](C)C1 1595101194 ZPGDURUSNOIZDB-YKSBVNFPSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCc1ncc(CC)s1 1595116246 QKAICGCSGQQFNP-OAQYLSRUSA-N 437.613 4.974 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CCc1csc(C(C)(C)C)n1 1595283563 SSQJVWOYMZNSHM-UHFFFAOYSA-N 439.629 4.889 30 10 IJEE C#CC[C@@H](COC)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1595818300 QWYZEHUKRDYBSM-DEOSSOPVSA-N 435.527 4.974 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1595906017 VUAKGNSTNJDADP-DZFGPLHGSA-N 428.602 4.645 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1596806387 GLWKDYMWJZQYSE-CEXWTWQISA-N 429.012 4.562 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl 1597190048 FYBWGHHBGXHKSI-INIZCTEOSA-N 434.849 4.857 30 10 IJEE C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)C1 1612789243 BOPYMWQCZCBRDA-GOSISDBHSA-N 430.556 4.674 30 10 IJEE C[C@@H]1[C@@H](n2c(SCC(=O)Nc3ccc(C#N)cc3)nc3ccccc3c2=O)CCC[C@H]1C 1613181239 GLJVTAPRYLWDKS-JLHGSKIFSA-N 446.576 4.996 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1OC 1616199647 DAOHBVBKQKLRTJ-KJMXZOMDSA-N 449.547 4.960 30 10 IJEE C=CCN(C(=O)CN1CCO[C@@H](C)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1616475928 JQIVJVFNTSXKLZ-KBPBESRZSA-N 440.396 4.745 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cscc1C 1620267717 BIVWNOYFURUQOO-QGZVFWFLSA-N 441.626 4.725 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@](C)(C#N)C3)c2)cc1 1623743046 FRAYFFHKYANEHF-XMMPIXPASA-N 439.581 4.596 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc12)C(=O)OCC 1624252384 YNHFCPWXOIAAAV-MLGOLLRUSA-N 427.353 4.559 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 1626554557 ZYEGFQHVEFKFDI-KRWDZBQOSA-N 446.238 4.855 30 10 IJEE C=CCOCCCNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1629502248 NNOMHUQUIWVOGJ-UHFFFAOYSA-N 448.563 4.547 30 10 IJEE C=CCc1cc(CNC(=O)NCC2(c3ccc(F)cc3)CCCC2)cc(OC)c1OC 1629660459 RDRQOUSPQBHKBQ-UHFFFAOYSA-N 426.532 4.883 30 10 IJEE C=CCn1c(SCC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)nnc1-c1ccc(Cl)cc1 1631444019 CGFWCWIPHDIELV-IPELMVKDSA-N 431.005 4.914 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1OC 1634895320 HUZKEAIAUWBVRH-WPGJWXSHSA-N 436.335 4.820 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CC)Oc1ccccc1Cl 1635137289 GPSCGXXOWVTHCC-HOCLYGCPSA-N 431.360 4.650 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cc3sc(Nc4ccccc4C)nc3s2)n1 1635722014 YJLFMDPDLBXARU-UHFFFAOYSA-N 435.578 4.902 30 10 IJEE CC(C)(CC#N)CNC(=O)c1ccc(F)cc1NC(=O)c1cccc(Br)c1 1638757643 FAXQONHEJGFMPH-UHFFFAOYSA-N 432.293 4.510 30 10 IJEE C#CCN(Cc1nc2c(F)cccc2n1CC)[C@@H]1CCOc2ccc(Br)cc21 1644631979 OMGKNMDSDOFRCA-GOSISDBHSA-N 442.332 4.917 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540521 RZXCYHBDDMDLIE-LSDHHAIUSA-N 445.654 4.698 30 10 IJEE C#CCN(C(=O)c1ccc(-c2csc(C)n2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973814 XNGDNHHEAYMMGA-UHFFFAOYSA-N 439.581 4.593 30 10 IJEE COC(=O)c1ccc(-c2ccc(CN3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)o2)cc1 1652349485 AMCPHAQVYLCHBS-QHCPKHFHSA-N 449.938 4.769 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CCc2ccccc2)C(C)C)n(-c2ccc(F)cc2)c1C 1652360536 DVJLONDENIFGCB-UHFFFAOYSA-N 432.543 4.997 30 10 IJEE C=CCn1c(SCOC(=O)N(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1656028120 HNXBMHZBBYELEB-UHFFFAOYSA-N 433.530 4.506 30 10 IJEE C#CCN(C[C@@H](O)c1cc2ccccc2o1)[C@H]1CCOc2ccc(Br)cc21 1657340141 PXXAKKKILNOFNB-RBUKOAKNSA-N 426.310 4.688 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C(=O)OC(C)(C)C)C(C)C)cc1OC 1658195678 RQGUXQRJWNVIRO-INIZCTEOSA-N 442.394 4.726 30 10 IJEE CCc1ccc2ccccc2c1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 1664092557 GJUUNRBKVNRZND-UHFFFAOYSA-N 429.339 4.515 30 10 IJEE C=CCCC1(CNS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)CCCC1 1665005449 BDTLIAXUVJYUQE-UHFFFAOYSA-N 426.376 4.628 30 10 IJEE CC(C)[C@@H]1CCc2nc(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)sc2C1 1665170847 BQMWYLQPLZKEBB-FAEJEUNOSA-N 439.585 4.682 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 1667562865 DERWHYKIESIXGJ-UHFFFAOYSA-N 431.305 4.796 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C(C)(C)C1 1670179387 HFVSXNYURQSRQR-IBGZPJMESA-N 444.576 4.893 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](COC)c1cccc(OC)c1 1670845521 PYBSSNJXEZJJOH-SFHVURJKSA-N 435.318 4.532 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NCc1cc(Cl)ccc1Br)C(C)C 1674145381 HTUKJOVZLOVEHA-GOSISDBHSA-N 428.802 4.600 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(OCC(C)C)cc1)c1ccc(Br)cc1 1678722457 IVQUTMDEKAGWDF-OAQYLSRUSA-N 429.358 4.700 30 10 IJEE CN(CCNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CCCC1 1678740956 BHHLEFMMTCRIGR-UHFFFAOYSA-N 429.380 4.972 30 10 IJEE C=CCC1(CNC(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1679811584 NYXCGMHVXCOVPE-HSZRJFAPSA-N 440.609 4.924 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OC(F)F)c(OCC)c1)c1ccc(Cl)cc1F 1682758233 YOGXRXTVNPCBOP-MRXNPFEDSA-N 426.822 4.653 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1)c1ccc(Br)cc1 1684980349 BSSSAWPLWCZNIB-CXAGYDPISA-N 431.334 4.615 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1686161105 AXYXUTFLJDFQEO-HUUCEWRRSA-N 427.998 4.935 30 10 IJEE CC(C)[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(C)(C)C)cc1 1686239390 HFHURGSYQANTAH-RPWUZVMVSA-N 446.595 4.653 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](CC(C)C)N(C)C 1689949075 PMKYHTUDBFZLQE-MRXNPFEDSA-N 430.021 4.859 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1690054962 KNXBCAYKOYUQSA-AZGAKELHSA-N 448.636 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1690212983 XXSNOFKPOXGYHE-AJTFRIOCSA-N 449.643 4.668 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1690445132 RVTKTDJWKXYZOV-HSZRJFAPSA-N 449.643 4.990 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1690447004 JHOXDORGCQFYPK-HYBUGGRVSA-N 428.577 4.757 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1690571653 FJJVXPWRKSRVHN-DEOSSOPVSA-N 445.652 4.636 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H](CC)N1CCc2ccccc2C1 1690594675 CQWSLFKSURADNG-BJKOFHAPSA-N 435.616 4.535 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C)CCCC2)C1 1690688712 ZOTHYJHKTHJXGB-LJQANCHMSA-N 432.515 4.908 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1sccc1C 1705606594 ZFWHVYNEMSOKAA-UHFFFAOYSA-N 433.350 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(OCc2ccccc2)c1 1705717049 BHWJQMGFPOCGJP-QHCPKHFHSA-N 447.583 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1705718531 PJTUQPXCPORZCE-FQEVSTJZSA-N 427.612 4.921 30 10 IJEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(CC)(CC)SC)CC1 1705783396 GBXLMFANQYTFCG-UHFFFAOYSA-N 438.645 4.841 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1705797915 GMNXTPSWNMTHFG-ZEQRLZLVSA-N 448.615 4.505 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 1705823389 KBFDZLKFJMCZJU-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCCCn1c(N2CCCN(CC(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1705824509 RUYWBCOERYLOQG-UHFFFAOYSA-N 447.549 4.789 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCC 1705834269 HOWXLXFGVAJYHC-ICSRJNTNSA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1705860471 IORNOQRSJXQHMZ-OYRHEFFESA-N 434.632 4.661 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCC[C@@H](COC)C2)cc1 1705911818 QVGSHCMRISVNLE-OAQYLSRUSA-N 426.605 4.733 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)CCCC1 1711619257 GTDCXWBPCKUUGB-YLJYHZDGSA-N 425.577 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCCO1 1722498279 URRAZFQKAMDCDB-FTJBHMTQSA-N 436.600 4.716 30 10 IJEE C=C(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553193 HNCVPFZZMWQNTJ-UHZRXMQZSA-N 429.609 4.640 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCC[C@@H](C)C2)CC1 1722575824 YPDIFVYJZDVFDY-QGZVFWFLSA-N 431.987 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2Cl)CC1 1722586358 CZBXVZSVCGEGFT-UHFFFAOYSA-N 439.007 4.866 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C)C1 1722592956 CRYFCVTUSVRKOJ-QRVBRYPASA-N 447.624 4.566 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1722604948 PJCLLRUCQBOZLO-LJQANCHMSA-N 433.641 4.963 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCSC1)C1CC1 1722653509 FODHTTCFUOWXMH-OAHLLOKOSA-N 449.418 4.528 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1722669531 VGKCLTUDWHCWJS-VWNXMTODSA-N 429.568 4.995 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1722733732 JTRRKQAPUZKFAL-UHFFFAOYSA-N 427.662 4.737 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC[C@@H](F)C2)cc1 1722892019 GOPQTNXNJZOXQS-PDOGEWKWSA-N 443.542 4.735 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1724580540 HYHMEYWJLJWCKF-FNZWTVRRSA-N 434.632 4.894 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)C1 1727338260 GIDDBRHAJVTKSJ-UXHICEINSA-N 425.552 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccsc1)N(C)C 1740542421 VEZVVKPFXGJCGV-IFXJQAMLSA-N 431.968 4.560 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cc(F)cc(F)c1 1740603476 UIJHNTMQUKAXGH-UHFFFAOYSA-N 426.536 4.866 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 1740788424 SMWJUQRCCWVPFZ-NQIIRXRSSA-N 448.995 4.525 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](c2ccco2)N(C)C)CC1 1740824527 NPMHJCRMQMQPGZ-ICSRJNTNSA-N 439.535 4.610 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740848906 UIKSBMDYYCRRLY-KNQAVFIVSA-N 441.595 4.976 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1)C1CC1 1740912606 LFNOIGWTUOBITB-UHFFFAOYSA-N 435.494 4.550 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1CCc1cn2ccccc2n1 1740914421 FOMDVRMDBJKUCG-FQEVSTJZSA-N 439.567 4.746 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)C(C)(C)C2)n1 1742718850 BIJLREWZOVAMBV-SFHVURJKSA-N 431.588 4.593 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1N(C)CCCC1(C)C 1748650671 BOKJBQIMGORJOT-KGVIQGDOSA-N 439.673 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)C1CC1 1748668704 OKMPXZNXVUJYOP-MOPGFXCFSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1748709525 YHCWLPNFRAJZDL-HXUWFJFHSA-N 433.531 4.639 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1C[C@@H](C)O[C@H](C)C1 1748772438 OAZLKSXZAQWHGP-QRVBRYPASA-N 445.007 4.961 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1749023194 QANDKVOTXDDDFA-MSOLQXFVSA-N 448.633 4.646 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1749183077 NINAKYACWCXLRN-AZUAARDMSA-N 428.577 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCSC(CC)(CC)C1 1749364072 MKQBKFPQRPTXGF-UHFFFAOYSA-N 445.633 4.720 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749401348 YOZNKMPTHAGWJL-UHFFFAOYSA-N 428.596 4.936 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1749433171 ABKZUIWAVVTQSC-UHFFFAOYSA-N 427.637 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C 1749529854 NDEOWIJCTFGTFA-FGZHOGPDSA-N 442.604 4.782 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@]2(OCC)CCOC2)n1C1CC(C(C)(C)C)C1 1749586180 NVSQALNKOKJKOA-FGJIOPLASA-N 442.604 4.756 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccncc1Cl 1760104497 ZLXPTAFJIOPTHI-HNNXBMFYSA-N 425.989 4.830 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1760124315 RFMAASOLCULAKY-GVDBMIGSSA-N 436.478 4.617 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCSC2)C1 1760131447 SKHZFVWLAMCDRN-JPYJTQIMSA-N 428.577 4.694 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)CN1CCCC1 1760227421 DVMRGNVBLWVYEW-NRFANRHFSA-N 444.627 4.544 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OCCC 1760228714 PVQPOIQNXLUOOJ-UHFFFAOYSA-N 449.624 4.967 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1cccc(C(F)(F)F)n1 1760240388 POUULTAVIDSJDX-UHFFFAOYSA-N 431.437 4.643 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(CC)CCCC2)CC1 1760254256 RYYXMURRXSGHJF-QHCPKHFHSA-N 449.643 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1occc1C 1760291101 AVJITTAQBJYNIB-LJQANCHMSA-N 431.359 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)C1 1760319069 QLHAYRULYFRJEQ-VBQJREDUSA-N 437.407 4.597 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1760343343 OFNQESCHUIWYEY-LJQANCHMSA-N 445.405 4.845 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1760354288 VEVYXLMRFGIDAY-UNMCSNQZSA-N 441.620 4.530 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1760369272 IKMFVKVDOYISLH-GOSISDBHSA-N 438.988 4.972 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(N(C)C)CCCCC2)CC1 1760381771 ACXNJYUCAABRGQ-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760398633 FVOHVVBJUOYQGY-QMHKHESXSA-N 432.996 4.807 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760407002 RKDBPTRHRARWCF-HXAGEGRHSA-N 438.616 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760415382 XDOBPZKSQMGQPS-IBGZPJMESA-N 436.522 4.823 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760433006 XZOUDXDWKGEDQZ-IEBWSBKVSA-N 444.649 4.528 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCCCCC1 1760466971 PJMKGXQBAGDWDT-UHFFFAOYSA-N 438.403 4.662 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1nc(C(C)(C)C)cs1 1760478461 ITDZTDAYUFAHLD-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1ncc(CC)s1 1760484486 BBROBQQSQLPJOD-SFHVURJKSA-N 441.576 4.571 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCN(C)c1ccccc1 1760486021 AEIDONXTJAEKGX-UHFFFAOYSA-N 432.597 4.674 30 10 IJEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCCCC1)NC(=O)OC(C)(C)C 1762343244 DDYYUXPOGLGINY-HXUWFJFHSA-N 438.576 4.500 30 10 IJEE C[C@@H](Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C)N1CCC[C@@H](C)C1 1762882825 BSANFHOLAKMWFP-RTWAWAEBSA-N 446.643 4.861 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 1772792322 KOLLCDOMCBLSAO-UHFFFAOYSA-N 429.215 4.549 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccn23)cc1 1858241809 GBHLOPHAPYMHOU-UHFFFAOYSA-N 433.830 4.503 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 1858815509 DCVNWAOHJNZZRQ-OAHLLOKOSA-N 448.445 4.712 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1C#N 1860630418 MHKGAXXBRSGIGS-UHFFFAOYSA-N 431.508 4.686 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OC)c(OC)c1 1862386168 HEJQHNSAXNFURR-IBGZPJMESA-N 448.302 4.775 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)cc2)cc1 1862392103 PQIJGJNPWJZFDD-QVKFZJNVSA-N 427.928 4.642 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCCCN(C)C 1862429945 YGDPRWPRSXONRY-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862431949 SCDKVNQJQXLYKA-LAUBAEHRSA-N 425.912 4.660 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1[N+](=O)[O-] 1862460381 KSKZOKHUHOFLEF-LJQANCHMSA-N 448.397 4.781 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862518029 AJXOZEHMQMDEMM-YCRPNKLZSA-N 438.480 4.760 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862536452 YJKZMMWQNRSALT-DEOSSOPVSA-N 443.499 4.747 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2)cc1 1862626178 XBGUMXDKGUPDAY-HSZRJFAPSA-N 427.456 4.502 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1F 1862637336 XNORJZAEBOATNI-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCN(C)C)cc1 1862713468 PJMQFQNVSRMDPN-DEOSSOPVSA-N 428.532 4.678 30 10 IJEE COc1ccccc1CCC(=O)Nc1c(Br)cc(C#N)cc1Br 1865945182 RDQXLNLTMMDICL-UHFFFAOYSA-N 438.119 4.663 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccc(C)cc2)n(-c2ccccc2)n1 1870001735 QVCQQAYSOLQXFS-UHFFFAOYSA-N 431.540 4.552 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870147953 OFQIBETUHPJJQB-NRFANRHFSA-N 427.895 4.757 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(F)c(F)c2F)cc1 1870149038 IHHVLVWYVDGFPE-UHFFFAOYSA-N 443.429 4.768 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)c2cccc3ccccc23)ccc1Br 1870152685 GBPATZGDLYDAHC-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE COc1ccc(CCn2cc(OC)c(=O)cc2CSc2nc(C)c(C)c(C)c2C#N)cc1 1870295415 RAZWKLSSSBMTFN-UHFFFAOYSA-N 449.576 4.592 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2CCC(CO)CC2)cc1=O 1870414728 XXCHSHHTRNSUSS-UHFFFAOYSA-N 444.591 4.589 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1cc(Cl)ccc1C 1871029035 DPXQSPHPKAGQMH-UHFFFAOYSA-N 432.948 4.576 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)c1 1871388730 AOHKPGFCYUPDCU-MTJSOVHGSA-N 429.428 4.541 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c(C)c1 1871418805 OLIDMDGKYIJKMJ-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871549490 ABBWADFEVGSQMU-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1cccs1 1871891445 LFLBCCADBCLJQE-KDOFPFPSSA-N 426.991 4.632 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CC 1872202358 XREVUEXIPQRQGS-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872289909 CERMTWSURKLWJR-HYBUGGRVSA-N 442.625 4.858 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872408104 KAWUGCNKPDIYEH-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873245287 DSWUFTLAZBGOKM-ZUOKHONESA-N 439.437 4.746 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(OCCC)c(OCCC)c2)c2cnn(C)c2n1 1873490873 VEVQLNFJKVKEMF-UHFFFAOYSA-N 436.560 4.863 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)c1cc2c(OC)ccc(OC)c2[nH]1 1873935046 FIXLIRJRRHYGQP-KRWDZBQOSA-N 431.577 4.560 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874283659 STPSNYLXDKQULG-OEAKJJBVSA-N 426.929 4.575 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc[nH]1 1874311913 WUVKASPHVYJEBE-WGOQTCKBSA-N 431.565 4.883 30 10 IJEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874362056 LWJBCOMFHPCAOM-ZVHZXABRSA-N 442.972 4.900 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)c(O)c1 1874403748 QBUFXYMJBLJAED-NLRVBDNBSA-N 444.560 4.692 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)c(OC)c1 1874443870 NDTBXICMXOEQLR-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1O 1874446133 UDNIADDMCHMYSQ-BYWZACNXSA-N 444.944 4.672 30 10 IJEE CCCOc1c(Br)cc(/C=N/n2c(SC)nnc2C2CCC2)cc1OC 1874491873 NDUBCFQXDPVELQ-RGVLZGJSSA-N 439.379 4.710 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1)Nc1nccs1 1874575215 BCZCFXVEZBRTRZ-XVNBXDOJSA-N 443.868 4.618 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 1874617965 CLBGXINTGJYBMN-MDZDMXLPSA-N 441.480 4.838 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCCCO)c(OC)c2)c(OCC)c1 1874631948 CJDJQDBJJMBYCB-JXMROGBWSA-N 434.916 4.803 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccc(OC)cc3)c2)cc1 1874701467 UKVJWAAHZTXEAS-FRKPEAEDSA-N 432.472 4.974 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)COCCOC 1875157152 QGPLCGMOPVHUNR-WUXMJOGZSA-N 426.509 4.673 30 10 IJEE O=C(NCC1CCN(CC(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1C(F)(F)F 1889191039 LKEHWOCMROUZFJ-UHFFFAOYSA-N 436.318 4.728 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(Cl)cc1I 1889589694 UIOLHRONGLCSOV-SNVBAGLBSA-N 438.718 4.994 30 10 IJEE CN(CC1CCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1)c1ncccc1C#N 1890090043 GTEUOGBOUGEALR-UHFFFAOYSA-N 434.487 4.554 30 10 IJEE COc1cc(Cn2cc(CC(=O)Nc3cccc(C#N)c3)c3ccccc32)cc(OC)c1 1891108231 NLDKMDIXQKUCOT-UHFFFAOYSA-N 425.488 4.760 30 10 IJEE CO[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1904977342 FRUMUAOVTOUJHR-IRXDYDNUSA-N 439.940 4.513 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]21 1912175319 KRGGPNONMSSLIX-ZOCZFRKYSA-N 434.541 4.606 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 1915607381 RGTBMVKNOKRZNI-DEOSSOPVSA-N 435.417 4.864 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)c1ccc(NC(=O)OC(C)(C)C)cc1 1940974628 WKKVZXJQVGVCRZ-QHCPKHFHSA-N 432.565 4.571 30 10 IJEE CC(C)(c1cccc(C#N)c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952493002 ACHDMMQSSXTHPV-XMMPIXPASA-N 440.499 4.828 30 10 IJEE C#CCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCCC1 1984725054 AASIREXVIHUIGJ-AREMUKBSSA-N 444.575 4.954 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2043829273 VLZMQSUCKBPATM-GNKBHMEESA-N 445.550 4.873 30 10 IJEE CCc1nn([C@@H](CC)c2ccc(C(F)(F)F)cc2)c(I)c1C#N 2080053772 WFVDLYOZOFRYBH-AWEZNQCLSA-N 433.215 4.940 30 10 IJEE CCCOc1ccc([C@@H](C(C)C)n2nc(CC)c(C#N)c2I)cc1 2080128073 JUPQMHAHIZIWDB-GOSISDBHSA-N 437.325 4.956 30 10 IJEE C[C@H]1C[C@H](C)N(c2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2118156610 MSIVGOUNURRABF-STQMWFEESA-N 426.330 4.684 30 10 IJEE C=CC[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2121945064 RJOPHMUJYJWFGG-GFCCVEGCSA-N 434.115 4.625 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 2159128495 SCRKCVICBNRNAL-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1cc(Br)cc(F)c1C#N 2174814316 GVZLRPZQFYZTAG-IRXDYDNUSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(C[C@@H]1CC1(Br)Br)C2 2210246679 VTBCVOITWJQECW-AGIUHOORSA-N 448.199 4.954 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2ccccc2Br)cs1 2227487660 RQPCMKHWQGNENN-MLGOLLRUSA-N 437.359 4.576 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C1CC2(CCCN2C(=O)OC(C)(C)C)C1 2235716767 HKRPKCZEJFMAGV-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@H](N)C#Cc3ccccc3Br)C2)C1 2235727983 LCCZKHIEWGPDHE-IMYXXEESSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@H](N)C#Cc2ccccc2Br)C1 2235746178 IHHWXILHVJDVSF-IEBWSBKVSA-N 433.390 4.555 30 10 IJEE COc1cccc(C#C[C@@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1 2237729022 GCJNKOGEKNEIFN-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2255711540 ATLDBHMRZNXFQR-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE Cc1cc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)ccc1CNC(=O)OC(C)(C)C 2279014351 VFHVQGKZTSTREE-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@H](O)C#Cc3ccc(Br)cc3)cc2C1 2296284788 USPPWELLTDKGHA-HXUWFJFHSA-N 428.326 4.785 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2296286329 KEWQPVSDLOZGAI-FFZOFVMBSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C 2296297844 DEZIDDHMTNLCCJ-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CCCCCCCCN1C(=O)C(=CNc2ccc(C)cc2O)C(=O)N(CCCC)C1=O 2297454757 KDVZNVYTYPLTQS-UHFFFAOYSA-N 429.561 4.948 30 10 IJEE C=CCc1cc(C=C2C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)cc(OC)c1O 2297499435 DQBXOYYHHPQDEH-UHFFFAOYSA-N 435.480 4.573 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCCOc3ccc(OC)cc3)cc2)SC1=S 2297624732 IRNXETAQTZTDSQ-UHFFFAOYSA-N 441.574 4.930 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2305315663 FIXITGUDIKBIIE-DRPBJASRSA-N 428.573 4.601 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 2314429323 DQDXAJFMOMVMCP-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CN[C@H](C#CC1(SC)CC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2314657279 JECJLLXNBUTLOT-MRXNPFEDSA-N 425.392 4.956 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)C=Cc4ccc(F)cc4)n3)cc21 2320451355 YZOWSDHDLJPYIP-UHFFFAOYSA-N 435.480 4.513 30 10 IJEE CCOc1cc(C=NNc2nnc(-c3ccccc3)c(O)n2)cc(Cl)c1OCC(C)C 2323283918 GYVPXQSVHCQUBW-UHFFFAOYSA-N 441.919 4.777 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 2323438306 QDAOTXXTUWYMBW-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1Cl 2323441705 ANGYGHSQPDZEMP-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)OCC(C)C 2323602585 JPHBHSGBZLDIRK-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2323627698 KWXHBLKLEWAVIK-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE CCCOC(=O)COc1c(Br)cc(C=CC(=O)c2ccccc2)cc1OC 2323813189 IKEQPPBASTYPJQ-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)cc1 2323936979 XVPRAAXBUAARAH-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)c1 2324745410 TXMUEYAVRCVETA-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE O=C(C=Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(I)cc1 2325592824 QVDRIIXLGXKKEX-UHFFFAOYSA-N 446.071 4.819 30 10 IJEE CCCOc1ccccc1C=Nn1c(CCCOc2ccc(OC)cc2)nnc1SC 2326224996 UAWCIAMVTXUISN-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OC)c1 2328056289 VDYBZPANDNKMEE-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccco2)c1C 2330537399 LSTLSGGXVNDNCL-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CCCC2)c1 2331092524 NQHITOUMKYZEHQ-UHFFFAOYSA-N 444.601 4.898 30 10 IJEE O=C(CSc1nnc(C(F)(F)F)n1N=Cc1ccc(Cl)cc1)Nc1ccccc1 2331109288 BPHVBODBWIEHCJ-UHFFFAOYSA-N 439.850 4.563 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccc(OCC)c1 2331404101 ZKLIUGAUEDUCSA-UHFFFAOYSA-N 445.633 4.597 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cn(C)c2ccccc12 2331687436 JZKBTOGHADEPRF-UHFFFAOYSA-N 446.580 4.815 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1Cl 2331698006 GXEVXWPMOUVDAY-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C2CC2)cc(OC)c1OC 2331733749 HSCWDQYDUUIZDY-UHFFFAOYSA-N 438.553 4.664 30 10 IJEE CC1(NC(=O)OC(C)(C)C)CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339535911 JQNASICSKKCQQZ-UHFFFAOYSA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575214 SWSBLJBCYAMDCL-KQDNUWKFSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2339602064 FPNNIMZRKLVAEK-GOSISDBHSA-N 442.365 4.647 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(c3cc(Br)c(C#N)cc3F)C[C@H]21 2361355019 SCISEZXFDINUQX-FZKQIMNGSA-N 438.341 4.686 30 10 IJEE CC1(C)OB(c2ccc(NC[C@H]3CCCCN(Cc4ccccc4)C3)c(C#N)c2)OC1(C)C 2364757898 NEXITGIGHANIPO-JOCHJYFZSA-N 445.416 4.572 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)nc2ccccc2c1=O 23349373 DTAAPLIKBHBZNJ-CVEARBPZSA-N 433.533 4.687 30 10 IJEE CC[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1c(=O)cc(C)c2cccc(OC)c21 32527877 ZGQYSETVJPPWRZ-GOSISDBHSA-N 435.549 4.720 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1cccc(C(F)(F)F)c1 34761567 FJJFSSOLQBYYNW-NMLDKSGZSA-N 439.434 4.825 30 10 IJEE CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 40171450 UTQVZGMGEBXWFM-OAQYLSRUSA-N 440.532 4.710 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)c1 41292689 QUAOWAJHFOWJCW-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccccn3)C4=O)oc12 41353990 HIAIQOLXHUTRAM-MOSHPQCFSA-N 427.412 4.980 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169959016 NJVKYJXEEGUCPF-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2)c1 170036403 JJCTYCXIRXURSP-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccnc2)cc1C(C)C 170186274 DEKWLYMCQBPRMG-QHCPKHFHSA-N 444.487 4.702 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)c(OC)c1 170299637 PKGVEEDGQZFWBD-NRFANRHFSA-N 437.423 4.527 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(C)o2)c1 170300289 OTYSGJFQKUZKTD-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2CCCC)c1 170324183 OUYRGKDSLCTRGB-HSZRJFAPSA-N 433.504 4.565 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccccc1F)c1ccco1 170380938 FWTSVHJRBVEMDI-JOCHJYFZSA-N 432.451 4.802 30 10 IJEE CCOC(=O)c1ccc(N=Cc2ccccc2OC(=O)c2cc3ccccc3oc2=O)cc1 254404195 ZPKLVQYVWVGVJS-UHFFFAOYSA-N 441.439 4.940 30 10 IJEE N#CCCCN1C(=O)CCc2cc(N[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)ccc21 447596303 CEQQJEHCYJVQIO-QEIWAGNOSA-N 428.580 4.877 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 473775113 VPOXKJADQWQYTC-UHFFFAOYSA-N 428.554 4.696 30 10 IJEE COc1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2)ccc1OC(C)C 515155272 GZUQPAFDSTWRNU-UHFFFAOYSA-N 445.567 4.919 30 10 IJEE N#Cc1ccc(CNC(=O)c2c(Br)cccc2Br)cc1Cl 619762097 HOMNBWUILYGVBZ-UHFFFAOYSA-N 428.511 4.667 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 733198526 YLRHSNCIAMZFDZ-SFHVURJKSA-N 446.359 4.977 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC(CNC(=O)OC(C)(C)C)CC2)c1=S 764944212 CWMDTZSJMNVYEI-UHFFFAOYSA-N 449.646 4.523 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1(Cc2ccccc2Cl)CC1 784279738 BZJUIYPSMDTQTJ-KRWDZBQOSA-N 440.927 4.550 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 809918260 RTVQDPXSAQXNSK-DFNIBXOVSA-N 441.576 4.708 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc(C3SCCS3)cc2)CC1 913430594 AYXOMTDBEZIYJK-JXORXQGFSA-N 432.611 4.641 30 10 IJEE COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)C(=Nc2ccc(Cl)c(Cl)c2)S1 1084506880 YUDQKLSVDGTUGN-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE C=CC[C@]1(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)CCCN1C(=O)OC(C)(C)C 1124548580 XZUNRJCMDVPIIM-RUZDIDTESA-N 439.556 4.878 30 10 IJEE C=CCC[C@H](NC(=O)c1cnn(C(C)(C)C)c1I)c1ccccc1 1127385093 UXNMLTBIOWEYNX-INIZCTEOSA-N 437.325 4.680 30 10 IJEE COc1cc(CCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc(OC)c1OC 1128254516 GRHZRKAQIXIUPF-UHFFFAOYSA-N 432.476 4.948 30 10 IJEE C#C[C@H](NC(=O)c1cccc(COc2ccc(C)nc2)c1)c1ccc(Br)cc1 1129730083 CSSQAAHTUVNQGZ-QFIPXVFZSA-N 435.321 4.836 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(Br)cc2C1 1140602341 VEGDGZUNWSAWRC-GOSISDBHSA-N 437.378 4.583 30 10 IJEE C=C[C@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)c1ccccc1 1143077538 DZHUKXFIDVZUKP-FQEVSTJZSA-N 427.342 4.596 30 10 IJEE C=CCC[C@@H](NCC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1168563600 MGYHZWVIRGPJQM-AUSIDOKSSA-N 445.529 4.945 30 10 IJEE C#CCOc1ccc(Br)cc1CNC1CCN(Cc2ccccc2C)CC1 1177315121 KNTJACMNQDERBZ-UHFFFAOYSA-N 427.386 4.524 30 10 IJEE CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)oc12 1184845145 GQOWYCVZPJTUFR-LBPRGKRZSA-N 438.427 4.761 30 10 IJEE N#Cc1ccc(N2CCN(Cc3cc(F)ccc3Oc3ccc(Cl)c(F)c3)CC2)cn1 1207447904 GEZMDJIKJKSVHC-UHFFFAOYSA-N 440.881 4.999 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(Cl)cc1F 1211070182 VPPLBVAGSRLDQL-SFTDATJTSA-N 434.342 4.943 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCCC1(C)C 1225867507 HNJQZMCUSXGKPL-MOPGFXCFSA-N 448.405 4.639 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1)c1ccc(F)c(F)c1 1234566775 QDKJIYMPFDNMIR-QAPCUYQASA-N 449.523 4.723 30 10 IJEE CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCCc1ccc(C#N)cc1 1252977143 HEXVOMKPXJRGEU-UHFFFAOYSA-N 435.531 4.795 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C(F)(F)F)nc2ccccn12 1264466667 BXBHHFHVHRSOAK-UHFFFAOYSA-N 437.381 4.973 30 10 IJEE C#C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Br)cc1 1275474122 KXAVVMUPPJSRCD-IBGZPJMESA-N 435.277 4.597 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C)CC1 1286322737 DODLYFFQYJIGGB-FQEVSTJZSA-N 443.636 4.823 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCSC[C@@H]1C 1286338602 DNBPZKCUMAEBEI-ZDUSSCGKSA-N 439.810 4.716 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1286347295 JZNJBMXZPQLINK-RNHFSVANSA-N 441.620 4.575 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1286553009 CBPGDQNUYLPMRA-UWJYYQICSA-N 434.506 4.971 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286589883 JWPWDSSEQJPXFS-OAHLLOKOSA-N 449.958 4.759 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1286601164 HVSIVGSMFQCRRR-IFMALSPDSA-N 437.588 4.509 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCCC2(F)F)CC1 1286643195 DKFAKWVNYSRGJJ-SFHVURJKSA-N 432.515 4.944 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=C)Br)CC1 1286656727 YJUSWSLSIHXUDI-UHFFFAOYSA-N 439.361 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286673448 BPAKDOXGDTVENT-IRLDBZIGSA-N 446.624 4.980 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286675845 DJMDICGQVYJACU-RUZDIDTESA-N 448.652 4.705 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1286690045 BJVAGPDFHLGEEG-QFIPXVFZSA-N 436.579 4.704 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCc1sc(C)nc1C 1286742891 WMRAAHKILMCNCL-UHFFFAOYSA-N 443.580 4.654 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCOc1c(C)cccc1C 1286748812 BYGWAHRUKOQVOG-HXUWFJFHSA-N 438.597 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@](C)(O)c1cccs1 1286756589 ORSMSDHYCSACKY-DEOSSOPVSA-N 447.564 4.748 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2c(C)coc2C)C1 1286800318 JOCPIIRSYKWYPU-NQIIRXRSSA-N 440.519 4.597 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286827126 DRYIGKWCXLDCFJ-LJQANCHMSA-N 441.988 4.570 30 10 IJEE C#CC[C@@]1(C(=O)Oc2cc(Br)c(F)cc2C)CCCN1C(=O)OC(C)(C)C 1288469518 NTQWKTQJUGSPGO-FQEVSTJZSA-N 440.309 4.595 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CCCS2)c1 1289328075 GJSKOCRHPRERQR-XMMPIXPASA-N 439.629 4.890 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC(C)(C)c2cccs2)cc1 1289796452 BJHFOICRWVLTKR-UHFFFAOYSA-N 435.597 4.945 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)[C@H](Sc3ccccc3F)c3ccccc3)CC2)cc1 1290045482 GNVUFZNWRTVNKS-RUZDIDTESA-N 445.563 4.875 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 1290445993 WMLXLYWIANQAPZ-GDBMZVCRSA-N 436.503 4.858 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)C#N 1293995193 FVSBMWZFKZOLMC-INIZCTEOSA-N 448.409 4.635 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H](C)N1CCCCC1 1300284400 RHHCSGRDLBNQTN-UFYCRDLUSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1CCC(F)(F)CC1 1300289129 FOBOQAPZOUILLI-MRXNPFEDSA-N 432.515 4.636 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCC1CC(OC(C)(C)C)C1 1300516267 KRJLNDJAURBFCD-UHFFFAOYSA-N 430.552 4.748 30 10 IJEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@H]1CC 1300743103 YNSXXYDXTNIKRZ-HXUWFJFHSA-N 433.606 4.758 30 10 IJEE C=C(C)CN(CC)c1nnc(COCC)n1Cc1ccccc1NC(=O)OC(C)(C)C 1300925571 XTIRURNMUHNGHG-UHFFFAOYSA-N 429.565 4.612 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2ccccc2)CC1 1300930905 QAZJNQJNLIPBAR-UHFFFAOYSA-N 426.362 4.996 30 10 IJEE C=CC1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1301118784 IPROOMBQJGEVHB-UHFFFAOYSA-N 432.572 4.501 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CCN1CCC[C@@H]1C 1301405761 KFJXHVJETJVBQO-IBGZPJMESA-N 439.991 4.911 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1301620286 DQEZJNXOIIUUBM-SIKLNZKXSA-N 442.629 4.944 30 10 IJEE C=C[C@H](CC)CC(=O)NC1(c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1303223263 HTPWEENAXZANMZ-OAHLLOKOSA-N 437.378 4.614 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)C(=O)OC 1303686500 JOXZJGBVITYRCR-NRFANRHFSA-N 434.540 4.615 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(C(F)(F)F)cc1 1312342158 MSEBWTIVAOYPEB-RBUKOAKNSA-N 433.474 4.788 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 1313133696 VFNDRINMAXRXHW-DMTNHVFBSA-N 433.596 4.803 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1313234841 XVBCOEYLRLSMGI-QHCPKHFHSA-N 435.568 4.746 30 10 IJEE C#CCCCCCC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 1352490775 RAGPSOINVDTIBN-UHFFFAOYSA-N 431.296 4.700 30 10 IJEE COc1cc([C@@H](C)NC(=O)c2ccc(Br)cc2C#N)ccc1OCC(C)C 1353408219 GTUAAWLEHZJLKR-CQSZACIVSA-N 431.330 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCC1 1359074946 XTAHTQWIEUUQQG-JOCHJYFZSA-N 444.048 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccco1)N(C)C 1359074980 ZGYNGAHFIMJCFM-PXDATVDWSA-N 449.624 4.767 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359083837 SCNGCLRBOLCJPC-CJNGLKHVSA-N 434.209 4.864 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC(C)C)CC1 1359092413 AQIQFWGXNYXZFE-SIKLNZKXSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)CC[C@@H]1C 1359096197 YBFKYBIGACCKAQ-KCESLBEFSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1c(C)coc1C 1359108556 SSXRPELJBAPVSO-UHFFFAOYSA-N 432.366 4.707 30 10 IJEE C=C(C)Cn1c(N2CCCC[C@@H](SCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125021 MZJJHTRHJOKPBI-CEXWTWQISA-N 449.665 4.737 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(OC)C2CC2)CC1 1359175835 BLNXMSFJZCMVEX-VWLOTQADSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1359182650 OIMIVCPBIXDJMG-UHFFFAOYSA-N 433.959 4.545 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCCCC1 1359259164 NKCSMWXBQBNZOI-UHFFFAOYSA-N 444.627 4.721 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1OCC[C@H]1C 1359259910 MGJCIHQKWIVKFB-OXQOHEQNSA-N 441.938 4.750 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H](C)CCC 1359293525 SETVEXZRQNAKLK-OAHLLOKOSA-N 446.020 4.988 30 10 IJEE C=CCSCCn1c(Nc2cnn(C)c2)nnc1-c1sc(-c2ccccc2)nc1C 1359346261 GTSHNIVRMFODBX-UHFFFAOYSA-N 437.598 4.773 30 10 IJEE C#CCN(C(=O)C1(Cc2ccccc2F)CC1)[C@@H]1CCOc2ccc(Br)cc21 1360557425 XWEKJDCHWGLPDT-HXUWFJFHSA-N 442.328 4.897 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 1435025364 WNSQMTYENFBJSL-OALUTQOASA-N 442.581 4.560 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1435988262 BJCIGWKMHGAPTD-LQATUXICSA-N 444.531 4.670 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1OC 1436548446 JJJHPFTYZYIGGS-XKSYAXFZSA-N 434.536 4.668 30 10 IJEE C#CCN(CC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 1446989314 RTKKXMNYTYWSDT-RTBURBONSA-N 438.490 4.670 30 10 IJEE C=CCCO[C@@H](C)C(=O)Nc1ccc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 1455625092 IDRCQAHRNAPCEY-INIZCTEOSA-N 442.560 4.597 30 10 IJEE COc1ccccc1[C@@](N)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(F)(F)F 1457572240 DKMKPJKGTSZPCF-JOCHJYFZSA-N 441.409 4.714 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)C1 1458426331 BGAXBDIVXVKHEK-WOJBJXKFSA-N 442.604 4.539 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)C[C@H]3CSCCN3C(=O)OC(C)(C)C)c(C#N)c2[C@@H]1C 1460566232 DDJSPNFHWRSYLO-KFWWJZLASA-N 449.642 4.987 30 10 IJEE C=CCn1c(SCC(=O)NOC2CCCCC2)nnc1-c1ccc(Cl)cc1Cl 1467346385 JAMIHBFTLDVILW-UHFFFAOYSA-N 441.384 4.911 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 1467553699 RFHOPMOTORXSNN-KRWDZBQOSA-N 438.355 4.673 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1468949576 WORXKUKKPMBSJZ-VWLOTQADSA-N 446.538 4.539 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)cc1F 1475167534 DPTMVRCWDCRBNZ-UHFFFAOYSA-N 427.328 4.794 30 10 IJEE CN(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)c1cccc(F)c1 1503379956 FKYOHIXQCUZNQA-RCZVLFRGSA-N 438.595 4.583 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncnn1C(C)(C)C 1507761957 MMDDTNZRJZNJBX-AREMUKBSSA-N 445.615 4.630 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1507859947 FPYCNYLENIQFQH-KRWDZBQOSA-N 448.995 4.889 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507914105 DYLYYHGBKNHYJY-PKOBYXMFSA-N 431.625 4.887 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1)c1ccccc1 1507930747 ZQBSAVNWOKUZGS-VXKWHMMOSA-N 433.604 4.660 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1507998690 IFHOZEYNCWOGMC-SKPFHBQLSA-N 449.599 4.788 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC=CO1 1508013460 PKBGEYBXEPKPGB-QGZVFWFLSA-N 445.361 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](SC)C(C)(C)C)C1 1508115839 LWEBUAIVGXWVFM-SJORKVTESA-N 436.025 4.553 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1509945636 CPENIOIHAUQIDC-XPQZIERPSA-N 443.567 4.718 30 10 IJEE N#Cc1ccc(OCC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1Br 1516028185 DFBBLPDGBFBRNL-UHFFFAOYSA-N 441.247 4.681 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(OC)c(OC(F)F)c2)s1 1525068343 VAYNDLSTMVRUAR-UHFFFAOYSA-N 448.944 4.765 30 10 IJEE Cc1nn(-c2ccccc2)c2nc(C(=O)Nc3cccc(C#N)c3Br)ccc12 1529124132 HGQWQKIUZFXTBO-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C#CCN(C(=O)c1ocnc1-c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1529626975 HVMGLFVDKREMDN-GOSISDBHSA-N 437.293 4.703 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC3(CC2)C(F)(F)C3(F)F)s1 1530992677 WSXBVWMOAZWZGM-UHFFFAOYSA-N 428.904 4.732 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)CC(F)F)nnc1-c1ccc(Cl)cc1 1533860302 AYALWOTVNMTXBO-UHFFFAOYSA-N 428.936 4.674 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NC3(c4ccc(C(C)(C)C)cc4)CCCC3)cc2C1=O 1535787027 GKKAAVDQIMATJC-UHFFFAOYSA-N 430.548 4.965 30 10 IJEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc2Cl)CC1 1537680909 GLRKLTVVOYLUPE-AWEZNQCLSA-N 447.428 4.937 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccnc1 1538656152 IBRZCRXXNNTITR-DEOSSOPVSA-N 427.504 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1538984606 MEUVVQOGHWAPEA-ACRUOGEOSA-N 433.600 4.907 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1539086177 YQRGOIQKWBLEQL-CIAFKFPVSA-N 430.637 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)c1nccs1 1539924577 UJFMKUKWWDHBJQ-SFHVURJKSA-N 449.628 4.815 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1539982479 WSEVQBSTSMPKNP-SFHVURJKSA-N 444.023 4.942 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1539989511 WQPOCDVTTYDDQZ-GOSISDBHSA-N 429.565 4.554 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC(C)(C)C1 1540048835 BXAJRXNZFWQZJI-GOSISDBHSA-N 432.012 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@@H](C)C1 1540148514 YDWPWBQSHMCDEZ-ZWKOTPCHSA-N 428.627 5.000 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1OCCC1(C)C 1540154519 ZCXXSBXLZAAJGC-SFHVURJKSA-N 449.368 4.840 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C 1543771799 VWMGPRQHFFBYFH-CRAIPNDOSA-N 427.570 4.602 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)C(=O)OC 1558383927 YYYBTLUVLOUVJD-KRWDZBQOSA-N 431.945 4.677 30 10 IJEE C=CCn1c(S[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nc2sccc2c1=O 1559333349 OEIYIPOFHQVTPW-LJQANCHMSA-N 439.606 4.888 30 10 IJEE C=CCC1(CNS(=O)(=O)c2cc(Br)cc(Br)c2)CCCC1 1561563658 PSTCUEQCWFGLLG-UHFFFAOYSA-N 437.197 4.626 30 10 IJEE C#CC[C@H](COC)NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 1562310042 DHZIXZRQGUYUGD-GOSISDBHSA-N 439.899 4.734 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 1562953063 APRMTDTUPRIITH-RTBURBONSA-N 440.956 4.638 30 10 IJEE C=C(CNC(=O)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1564881827 DCZKRQGJDSTVRY-NRFANRHFSA-N 427.589 4.816 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@@H](O)CC(C)(C)C)c1ccc2c(c1)OCCO2 1565656034 LWQNSEBWBDMZNE-OAQYLSRUSA-N 439.552 4.743 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(Sc3cccc(OC)c3)cn2)c(OC)c1 1583468747 GCWCFIAYOXUVTH-UHFFFAOYSA-N 436.533 4.996 30 10 IJEE N#Cc1nc(NC(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)ccc1Br 1584530173 FKKGWUMJEIGCEF-UHFFFAOYSA-N 444.235 4.825 30 10 IJEE CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1C 1586406489 AYRWZFQVMXVEJQ-DCZWBIAUSA-N 438.499 4.928 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1587645531 KFPYLJONPBNDNU-CBGDNZLLSA-N 444.570 4.835 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CN(C)C(C)C)CC1 1587783504 RMNLYLRRMMRZES-UHFFFAOYSA-N 446.643 4.641 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C)CC1 1589493757 IVPQQPVPFZTGHC-DXIQSLLYSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1589570395 USEAHJBWLODNAH-FBLLAGFSSA-N 449.599 4.582 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2CCC(OC)CC2)CC1 1594133797 FPVFTCKIKWBZEI-LIKPIUCQSA-N 430.637 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)C)CC1 1594454577 GNHFCZDROOYXKK-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 1594455466 QPOQZDDHXQHQJF-QFIPXVFZSA-N 437.632 4.727 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C(C)(C)C)C1CC1 1595070976 UBRDIZJLNYSFEN-OALUTQOASA-N 447.624 4.566 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN1CC 1595075561 HVBDODKYNFTDOF-JOCHJYFZSA-N 449.599 4.922 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC(C)C 1595120114 MYOZQLHAAPOGIG-FGZHOGPDSA-N 426.605 4.814 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1C(C)C 1595658895 MJKHXLAZVJZEGL-NRFANRHFSA-N 437.613 4.872 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(N(C)C)CCC2)C1 1595687684 CCVIULLCBUEYIJ-QFIPXVFZSA-N 437.632 4.508 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C2CC(C(C)(C)C)C2)C1 1595743809 GQNUHYVKHSVITF-YDPRHXJPSA-N 438.616 4.850 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1615451904 IADPAPXQDPPNSC-QZTJIDSGSA-N 428.650 4.744 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1618325859 UDSKXUDCZFWGCU-HKUYNNGSSA-N 442.556 4.536 30 10 IJEE C#CCCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1633508902 SMZMRHIMRJJBRT-AREMUKBSSA-N 438.527 4.714 30 10 IJEE C=CC1CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)CC1 1633600563 RMUDNNMHQJKTFG-NRFANRHFSA-N 437.378 4.614 30 10 IJEE C#CCN(CC(=O)N1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1)C(=O)OC(C)(C)C 1640016558 ANPHJGPCIQBURN-SANMLTNESA-N 426.601 4.778 30 10 IJEE C#CCSc1nnc(COc2ccc(Br)cc2)n1-c1ccc(OCC)cc1 1643377673 KGVZMJATXXAFKU-UHFFFAOYSA-N 444.354 4.733 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1cnc(Br)c(C)c1 1643752755 AOQMYZOCQMJIGZ-UHFFFAOYSA-N 431.359 4.801 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)cc1OC 1644625291 FHUSCWXSUIQSLD-NTMALXAHSA-N 434.319 4.870 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C/Cl 1646518051 RPMVTKTUEUDMQT-LTSKSLEPSA-N 445.346 4.905 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc3cc(OC)ccc3n2Cc2ccccc2)cc1OC 1648623177 JSCTZNGHAORZJL-UHFFFAOYSA-N 443.503 4.919 30 10 IJEE C=CCn1c(SCc2cc(Cl)n(C)n2)nc2scc(-c3ccccc3)c2c1=O 1652459061 WNAJTOQPOPKZJR-UHFFFAOYSA-N 428.970 4.990 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 1653985643 VUSWEULMDOCCIA-UHFFFAOYSA-N 445.949 4.550 30 10 IJEE CN(C[C@](C)(O)c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1658936712 BHHNLUZAZFJXTP-VWLOTQADSA-N 433.483 4.648 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c1 1659947160 FCKARLHPYMJQCS-UHFFFAOYSA-N 438.547 4.799 30 10 IJEE CC(C)c1ccc(C[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)cc1 1663228176 FFHSNUZEHNKHRL-SFHVURJKSA-N 436.499 4.954 30 10 IJEE C=CCN(C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)[C@@H](C)COC 1665665543 OUQXBDIXNKGFJL-ZDUSSCGKSA-N 429.464 4.687 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)C1 1669069875 ZNQVZRXMHXSHME-MRXNPFEDSA-N 434.508 4.759 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2 1671441438 MXCFXPPYTQACJT-UHFFFAOYSA-N 427.570 4.657 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(F)(F)[C@H](C(=O)OCC)C1)c1ccc(C(F)(F)F)cc1 1679305950 SWGRTYPRFWWRNE-IRXDYDNUSA-N 448.432 4.943 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@]1(C)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1679797504 JVIYURUNVZWXLP-XKCSPQBFSA-N 439.353 4.648 30 10 IJEE CC[C@@H](COCC(F)(F)F)NC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 1680180077 BUNRPBJVCMWPEY-AWEZNQCLSA-N 430.364 4.533 30 10 IJEE C=CCC1(CNC(=O)NCc2ccc(I)c(Cl)c2)CCCC1 1682013041 IXNCDPPNYJQLKX-UHFFFAOYSA-N 432.733 4.880 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1683980196 WEOFNYCZLADJGZ-FSSWDIPSSA-N 429.605 4.947 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(I)c(Cl)c1 1686265292 WOLPACHORWLYFI-BBRMVZONSA-N 432.733 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)CCC(C)C 1689829165 WCPCJJXHMLUEQL-IXFSTUDKSA-N 432.996 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](c1cccnc1)C(C)C 1689842240 WSTQSBLOETTYGY-UGKGYDQZSA-N 447.583 4.645 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCCC[C@H]2C1 1689878757 UDGZUCPIMLSGNZ-MSOLQXFVSA-N 444.421 4.866 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC1(CCC)CCC1 1690003627 SJTDEMRBEYSQPH-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2sccc2C1 1690156564 YMQJEYVGDJIWJR-INIZCTEOSA-N 442.585 4.548 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1690159625 HKXWTCNXSFMUOR-PWIZWCRZSA-N 446.567 4.928 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN(CC)CC 1690193980 WYXUOOCBBSFONS-ATIYNZHBSA-N 437.632 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCc1c(C)noc1C 1690198421 NKCDCGJZAVBLTQ-JOCHJYFZSA-N 427.911 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@@H]1CCOC1 1690259814 XVRMTEUNBWLISI-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1690379463 RIDWKTBVQWXYNA-HXUWFJFHSA-N 435.616 4.744 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCc2ccc(Br)cc2C1 1690432512 FWHSEHFFJHVMJA-KRWDZBQOSA-N 445.405 4.710 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690472134 FSNLOPLNTSRXLY-HSZRJFAPSA-N 435.616 4.768 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1ccc(Cl)s1 1690517925 UJLBWBZMWFZLRF-UHFFFAOYSA-N 448.976 4.551 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1OC)N1CCCC1)C1CC1 1690545146 KNPRSVFUAXWRPW-QFIPXVFZSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1690565643 OJZOWWFUTPOIOF-UHFFFAOYSA-N 425.577 4.651 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C)CCCC2)C1 1690686026 IICCAPAHTQUYMD-RTBURBONSA-N 428.552 4.919 30 10 IJEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1695229039 FMOBNILTAMMOHB-FCHUYYIVSA-N 437.588 4.703 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)C)CC1)C(C)(C)C 1698347248 GOVCRSJQHISZGE-NRFANRHFSA-N 440.661 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccccc1Cl 1705718548 PZPMDAZSQQYFCI-UHFFFAOYSA-N 434.975 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCc1nc(C)c(C)s1 1705718971 GNGOPBFCPZFOCI-UHFFFAOYSA-N 434.613 5.000 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705735364 OJNFFHYLTDRHAQ-QFIPXVFZSA-N 429.653 4.621 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1705739605 LQQXODCXETWBED-PMACEKPBSA-N 426.605 4.840 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2OCC(C)C)CC1 1705783788 URQFXMGCIXZFOS-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1705797177 RLAPDDNHLPBDIM-DHIUTWEWSA-N 438.616 4.785 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1705813085 VHTAGUKQOPSINP-MJGOQNOKSA-N 428.577 4.952 30 10 IJEE CC1(C)CCCN(CCn2c(-c3ccccc3Cl)nnc2N(CCC#N)CC2CC2)C1 1706946500 BPZLYBGLISKOFH-UHFFFAOYSA-N 441.023 4.851 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)CC1 1706966674 DDULELVNWOBNTK-UHFFFAOYSA-N 448.315 4.741 30 10 IJEE CCC(C)(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C#N)C1 1708303435 CHWADNXJCKDHCT-MJGOQNOKSA-N 445.995 4.853 30 10 IJEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)C1 1709292396 DVHROUDXIXZXPU-NJDAHSKKSA-N 434.632 4.810 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722340040 KVGGBHXEVWUBAK-NQIIRXRSSA-N 433.383 4.599 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(CC)CCC 1722467115 MMCYDZFPUMLONO-NTKDMRAZSA-N 444.023 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1cccs1 1722510964 WDOVJWMORTZAMA-UWJYYQICSA-N 443.642 4.703 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC)c(Br)c2)CC1 1722568813 ARODNVGMDKWPGW-UHFFFAOYSA-N 445.405 4.987 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN(C)C(C)C)CC1 1722579526 QLDIVAVUNVQPNF-UHFFFAOYSA-N 439.648 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1722590812 AXBNCLHASWVQAP-UHFFFAOYSA-N 443.595 4.966 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1cccnc1OCC 1722653044 SWEZYPPXNVDISB-UHFFFAOYSA-N 435.572 4.619 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1 1722657772 NYNDDPXIWURDIQ-FQEVSTJZSA-N 437.588 4.920 30 10 IJEE COC1(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)CCC(C)CC1 1729951601 BKWBAINVXAHGPP-FRIYVGAWSA-N 445.995 4.844 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1C 1740541221 VBFJWFQTQFMNTP-OAHLLOKOSA-N 429.387 4.778 30 10 IJEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC(F)(F)F)CC1 1740594288 HPVHKDQQFLLWOE-UHFFFAOYSA-N 429.490 4.863 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CCOCC1 1740599832 GHUFNOUJNNIODN-SFHVURJKSA-N 430.980 4.574 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(OC)c(F)c1 1740603467 TXUQCDWIMMZGNN-MRXNPFEDSA-N 438.572 4.591 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@@H](C)C1 1740647194 KDIMBLQRQCMHLE-IAGOWNOFSA-N 443.364 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1CCCCC1 1740757933 YHTOFFTUEGTUDR-CTNGQTDRSA-N 429.996 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CCN1CCc2sccc2C1 1740775225 RCZBHDLWWRVYLX-UHFFFAOYSA-N 439.604 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1740776787 BWHIJZDFGKNKAH-FQEVSTJZSA-N 443.611 4.909 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1Cc1cnn2ccccc12 1740776938 GUJOLLZUKQGWKO-UHFFFAOYSA-N 430.556 4.518 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C)c1 1740777878 PVCHWEOKJJVAGW-OYRHEFFESA-N 439.604 4.808 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3sccc23)CC1 1740843644 MSGCTQXHZXZUHY-QGZVFWFLSA-N 439.633 4.725 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1740907406 SYVLGVWHKCSABC-LSDHHAIUSA-N 449.368 4.817 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1741000821 HCVDFVXTBHXSQH-JOCHJYFZSA-N 444.620 4.944 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(CCOC)CCC1 1748642421 OKVKBFFWMBIGKM-QZTJIDSGSA-N 430.980 4.736 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 1748698033 BVJLEPRWCMPMJQ-RXVVDRJESA-N 428.552 4.612 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OCCC)CC1 1748730628 PBGIDHMEVDSHCL-BHDDXSALSA-N 430.637 4.786 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749024501 SRTNFLVHDBUBBT-LJQANCHMSA-N 438.597 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)CCC 1749053184 CJSAHGGJYKYRLP-JJEOQYAHSA-N 430.980 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCc1ccc(Br)s1 1749150184 ODMAHEABDPBXET-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=C(Cn1c(N2CCC[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1749248319 ZZBASLVUKZWTHO-NRSPTQNISA-N 437.588 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1749370709 PPQFFBJOQDGTMR-UHFFFAOYSA-N 437.632 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749370854 QWNNPSBDVFZALM-MAUKXSAKSA-N 440.485 4.766 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@H](C)N1CCCCC1 1749570819 CDWXORWHXUBGGN-NRFANRHFSA-N 432.616 4.880 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1749572745 BJYGMXWLBLJING-WOJBJXKFSA-N 432.572 4.513 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760130421 IHAHOVSCXZMVMN-UFYCRDLUSA-N 444.023 4.794 30 10 IJEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCCC(C)C)CC1 1760149645 AYVJIJFWCCXGFT-UHFFFAOYSA-N 431.584 4.938 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)(C)C)C1 1760163076 YACWBLAXFHXKPA-PMACEKPBSA-N 443.636 4.678 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OC(C)(C)C)CC1 1760355309 FIVGRTPPWKXEPE-UHFFFAOYSA-N 437.588 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760416158 VQRHQGKEBQLWNM-QGZVFWFLSA-N 446.979 4.502 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760436416 ATAZOUNIVVYGGZ-QFIPXVFZSA-N 442.604 4.958 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@](C)(CC)O1 1760498919 IPTGRTSJRSYEFR-PLXFJCCSSA-N 438.616 4.755 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CCSCC 1760510516 AZZZIINFVZQXOV-ROUUACIJSA-N 437.654 4.547 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)Cc2cccs2)C1 1760538280 XNTRATMRHAIFES-NQIIRXRSSA-N 433.581 4.538 30 10 IJEE COc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)c1 1857810787 FUSDYDHFPVRLGN-UCQKPKSFSA-N 433.562 4.930 30 10 IJEE CCc1nc2ccccc2n1-c1ccc(C(=O)N=C2NN=C(c3ccccc3)CS2)cc1 1859758173 GUBCYWLNHGNDST-UHFFFAOYSA-N 439.544 4.825 30 10 IJEE C=CCN(CC=C)C(=O)c1ccnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 1860536566 IWEZUDFDAUBMNK-CQSZACIVSA-N 434.323 4.609 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)COc1ccc(CCC)cc1 1861655900 IYPSEFOGMUJOKZ-QFIPXVFZSA-N 436.662 4.733 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862483236 XWOFCHNGUNCRLQ-IBGZPJMESA-N 434.319 4.917 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Br)cc2)ccc1F 1862512226 QIFGIINTWWKJJT-GOSISDBHSA-N 430.273 4.637 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1ccccc1 1862626266 ZKVLQMKRNLHVRF-HSZRJFAPSA-N 427.456 4.502 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)O)cc1 1862715668 XRCHKKYTHUGWOL-JOCHJYFZSA-N 429.472 4.772 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(SC)c3)C2=O)cc1 1862965470 PPDROMGPRLXJMN-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccc(Br)cc2)C1=O 1863195603 YYTIOIUYNJIYHK-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE CCCC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867714022 WJQKJAIKSSGHPH-VQTJNVASSA-N 432.351 4.972 30 10 IJEE CCCCCCOc1cn(CCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870187016 BIGAPGKPTIBVCY-UHFFFAOYSA-N 443.613 4.674 30 10 IJEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CN1CCC[C@H](C)C1 1870778565 DDCKGKRFEOLFBQ-IBGZPJMESA-N 430.976 4.768 30 10 IJEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCOC(C)C)C4)cc1 1871346154 JFNDBMYTSJPKAE-UCQKPKSFSA-N 437.536 4.977 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(C[C@@H]1COc3ccccc3O1)CO2 1871359573 QXZSQNXYSWIFDN-ATDNGYSZSA-N 447.512 4.665 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 1871432447 CIQOWRGCGYHCKP-BWCLHNGZSA-N 438.476 4.508 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872137530 XOLQUABDQPBDHB-JOCHJYFZSA-N 428.598 4.986 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872231241 RMTNRKPPKQFPHJ-LJQANCHMSA-N 441.380 4.978 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872368842 SKOKZWDIJMJZNR-FQEVSTJZSA-N 436.524 4.566 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(CNC(=O)c3ccc(C(C)(C)C)cc3)[nH]c2c1 1872795436 FHTTUSNDHGTLNF-UHFFFAOYSA-N 430.552 4.605 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3CCC(O)CC3)ncnc2n1CCC 1873574966 LIHNGTHSKAGBQH-UHFFFAOYSA-N 443.636 4.673 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCCc3ccccc3)ncnc21 1873606787 CYQJRKUHYVVUDS-UHFFFAOYSA-N 433.462 4.802 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(OCC)cc1 1873685438 SDGRILSVCIEHTN-UHFFFAOYSA-N 438.549 4.775 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874223096 SVGWMLNHLQRJNY-LFVJCYFKSA-N 438.553 4.545 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(O)c(O)c1 1874255739 LYIBUFNJZHBQEE-FSJBWODESA-N 426.542 4.578 30 10 IJEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874339877 RDCCZEJGFNUQKU-YDZHTSKRSA-N 446.960 4.542 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2c(F)cccc2Cl)cc1C 1874359225 WCYUKKKQNCVNCZ-ZMOGYAJESA-N 432.952 4.635 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1O 1874380641 CUTJJFOVXCXBTN-WGOQTCKBSA-N 448.523 4.636 30 10 IJEE CCCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2cccc(C)c2)cc1 1874535964 FSMORAUTEMQQNY-MFKUBSTISA-N 437.569 4.769 30 10 IJEE COc1ccccc1OCc1nnc(S)n1/N=C/c1cccc(Oc2ccccc2)c1 1874563662 QGETYLJYEGDIPF-BUVRLJJBSA-N 432.505 4.829 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)NCc1ccco1 1874618327 VCJDCJPKEYZNOY-PKNBQFBNSA-N 433.504 4.886 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874698029 HXOAFFBEKMXPJQ-SWGQDTFXSA-N 448.387 4.627 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(COc3cccc(C)c3C)nnc2s1 1874767976 VRGDHFYZTLIWGX-UHFFFAOYSA-N 429.590 4.748 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccncc1 1875117122 JJFTWAFZKVAHIN-FNORWQNLSA-N 438.277 4.968 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)C)c(OC)c2)cc1Cl 1875173080 GBZWZFJZVPXDCO-BQYQJAHWSA-N 448.899 4.832 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(Cc2ncc(Br)cc2Cl)C3)OC1(C)C 1879793839 MRGLPZSMQXFPKS-SGTLLEGYSA-N 427.579 4.556 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3nc(C(C)C)n4ccccc34)cc21 1890680541 HNPXCFQNILAOKM-UHFFFAOYSA-N 432.524 4.648 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccccc2OCc2ccccc2)c1 1891729057 WXRUDABKIBKAOU-UHFFFAOYSA-N 442.559 4.924 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Cc2cc(Br)ccc2Br)C1 1982471075 CRXKBXUIYYBACE-KRWDZBQOSA-N 444.167 4.905 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](N)Cc2ccc(Cl)c(Br)c2F)C1 2077087687 KUILYZBFNUBKIH-CYBMUJFWSA-N 433.749 4.725 30 10 IJEE O=C(O)c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079144621 CFYFXRQGWXHHPN-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2)C[C@H]1CC(F)(F)F 2176104970 XFVZESOSWUSHJX-CQSZACIVSA-N 448.283 4.699 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2235721913 JLCJBSAIHLSXCO-ZWKOTPCHSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@H](O)C#Cc1ccccc1Br)C2 2235745230 UXZNDNFDERZSKW-GBESFXJTSA-N 434.374 4.730 30 10 IJEE C#CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243926116 FQFUPYCCNBNNDN-AREMUKBSSA-N 444.575 4.954 30 10 IJEE CN(CCc1ccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267565537 PIZWSRZMSPZOFC-MOPGFXCFSA-N 444.381 4.517 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](N)C#Cc1cccc(Br)c1 2296216064 GYRVORFHOPZLQT-UXHICEINSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2ccc(Br)cc2)C2(CCCC2)C1 2296309898 BVBMACKDPGZEGI-RBUKOAKNSA-N 433.390 4.555 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296310850 OQYHVULTCNVGEE-PMACEKPBSA-N 435.406 4.958 30 10 IJEE C=CCn1c(NC(=O)C=Cc2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc21 2296755580 NNMPGXWFUDPEIW-UHFFFAOYSA-N 426.476 4.599 30 10 IJEE C=CCC1(NCC2(NC(=O)OC(C)(C)C)CCCC2)CCN(C(=O)OC(C)(C)C)CC1 2302465622 HXHGNCQDBYRCOF-UHFFFAOYSA-N 437.625 4.759 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1 2314429175 ACANILNRTWVZDT-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 2314429393 GIRLXZHYGMYRFB-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CC[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2317353546 HTVCTFWGNUQEFI-GOSISDBHSA-N 432.370 4.751 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN([C@@H]3CCCC[C@@H]3C)CO4)C2=O)cc1 2322145807 BVRCHTGORNZQCH-HRAATJIYSA-N 433.504 4.820 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(S)nnc1Cc1ccc(Br)cc1 2322238822 XRLDDGYFNZLUNL-UHFFFAOYSA-N 431.359 4.590 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)cc(C)c3C2=O)c1OC 2323164327 RHUYLKAVKNMXQP-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)c1 2323489733 CNPUJHPVWIWUOU-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2ccc(OCCC)cc2)cc1OC 2323921411 GHYZFJUBGFXRQC-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4OC)ccc3C2=O)cc1 2325735773 BULHVVHOBQOWTI-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccc(OC(C)C)c1 2326863147 HEDCWOUJXZDKPA-UHFFFAOYSA-N 442.541 4.706 30 10 IJEE Oc1cccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c1 2329758373 VLTGJXPDYCRCOW-UHFFFAOYSA-N 432.524 4.931 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccn1C 2330089610 XDBPAVRTBDLDQP-KRWDZBQOSA-N 446.536 4.851 30 10 IJEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1O 2330398645 AGOHZIPFIRFGDX-UHFFFAOYSA-N 436.562 4.559 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2-c2ccccc2)ccc1OC(=O)c1ccccc1 2330621498 RGRKPDBKILDTHU-UHFFFAOYSA-N 444.516 4.777 30 10 IJEE COCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccccc2Cl)cc1OC 2330940112 BRPMXRKLUZHTJN-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)ccc1F 2331338068 XLIWLWZJIVIJOU-HXUWFJFHSA-N 433.273 4.877 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 2331443948 RAQXEFIRDHGIOT-UHFFFAOYSA-N 441.436 4.570 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c([N+](=O)[O-])c2)cc1F 2331457916 XPSVXQQSOQCJSW-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OCc2cccc(NC(=O)OC(C)(C)C)c2)n1 2337039544 HKXGXVJVRMCZRX-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE CC[C@H](N[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511678 GORBVESLZRWAQZ-PXNSSMCTSA-N 446.441 4.718 30 10 IJEE C=C[C@@]1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339577669 VUIMPTBQVWJNKG-SWDTZWKESA-N 442.365 4.671 30 10 IJEE CC[C@@H]1[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339587762 YXNYEVGGILTJPK-MOPGFXCFSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@]1(C(=O)Nc1cc(Br)ccc1C#N)CC2 2355940754 BUNITTUCBLFMSZ-MGPUTAFESA-N 434.334 4.581 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(c3cccc(Br)c3C#N)C1)C2 2358646520 WDYRITWVRAISGQ-BTYIYWSLSA-N 434.378 4.937 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@H]4C[C@@H](CN(Cc5ccccc5)C4)C3)nc2)OC1(C)C 2365109100 YKCUNJPFCQCQKR-ZEQRLZLVSA-N 445.416 4.685 30 10 IJEE C=CCN1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O 1134783 HGBQRVNWSKBIQK-NDENLUEZSA-N 435.480 4.641 30 10 IJEE COc1ccc(-c2nc(NC(=O)/C=C\c3ccc(OCC#N)c(OC)c3)sc2C)cc1 33470646 JCLUWXNMXGMWMD-WZUFQYTHSA-N 435.505 4.690 30 10 IJEE CC[C@@H](C)c1ccc(N/C(=N\C(=O)c2cccc(NC(C)=O)c2)NCc2ccncc2)cc1 35481043 JLNJECWDRWOMOP-GOSISDBHSA-N 443.551 4.952 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)c(C)c(C#N)c2=O)cc1 38624154 NSNVSJQJUGZIPU-QFBILLFUSA-N 445.346 4.865 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@H]2CCCO2)C4)cc1 62993098 ITMYYBHNTOZODI-ZPZBNPFISA-N 448.563 4.788 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(CN2CCCCCC2)c1 64237808 UOCVBIYMMBWEKS-UHFFFAOYSA-N 436.556 4.869 30 10 IJEE O=C1C(Cl)=CC(Cl)=C/C1=C\NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1 137115131 ABEHNFWSQZWYRW-DTQAZKPQSA-N 436.302 4.834 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(O)cc2)c1 169960550 GBCAHUYDXANPTC-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccnc2)c(C)c1 170012495 XBFLYGFALVKEIV-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170027855 SICCIVBDXBEGHA-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170072572 VEMAFWVFSHIRGS-QHCPKHFHSA-N 447.437 4.678 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170095736 HLVDBDVAIGEQMP-FQEVSTJZSA-N 436.851 4.674 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2sccc2C)cc1 170105173 DGDNQVDTNISBTB-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(OC)cc1 170115821 DURABSHEMIHQHG-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2ccc(Cl)cc2)C1=O 170136080 HXYALKCRGIJPNM-UHFFFAOYSA-N 435.955 4.954 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1cccc(C)c1 170147478 WZGVTBNAAUTEHY-QHCPKHFHSA-N 434.536 4.592 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)ccc1Cl 170162346 CRNLMTOYGCCGGJ-GOSISDBHSA-N 429.881 4.782 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)c1 170169015 FFONYDDRFTUWMA-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE COc1cc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)cs3)=C2N)c(OC)cc1Cl 170180061 YPFYRIJDOMIITB-UHFFFAOYSA-N 441.940 4.506 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)c1 170241054 ATIPTAPNOQUELJ-JOCHJYFZSA-N 435.451 4.984 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 170241165 PUEQILSFLFCFPZ-JOCHJYFZSA-N 435.451 4.984 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)cc1OC 170270791 MFFFISXBLDTAMZ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccco2)c1 170278971 SGUUKNJMKMGSHK-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2sccc2C)cc1C 170317359 OXBSWTQAWUODRI-NRFANRHFSA-N 448.544 4.855 30 10 IJEE Fc1ccccc1-c1csc(=NC[C@@H]2CCCO2)n1N=Cc1ccccc1OC(F)F 254450650 YZAPRPOORVCEIN-INIZCTEOSA-N 447.482 4.919 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OC)c(Br)c1 315793675 UWILYIGFSOGUHQ-UHFFFAOYSA-N 425.120 4.844 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460566835 ULFZFTIYRKZMON-UHFFFAOYSA-N 426.480 4.595 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)Cc1ccccc1C 460808476 XQZPLJCGRWIMGV-SFHVURJKSA-N 428.540 4.546 30 10 IJEE C=CCNc1nnc(Sc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)s1 488012190 XYQYLWOMSWABGH-UHFFFAOYSA-N 436.353 4.699 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc(CCC)n(-c2ccccc2Cl)n1 499615481 KPUQJBNRKNUPKM-UHFFFAOYSA-N 439.903 4.610 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(OCc2ccccc2)CC1 509014050 WFODNQMIBRGIAI-DQEYMECFSA-N 444.579 4.895 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccccc2)C1=O 526659032 HQBXMYYIVBLBAM-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cccc(C(F)(F)F)c1 526826975 GCEMYBWFMXNWGX-ROTLSHHCSA-N 448.470 4.820 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CC)Cc1ccc(OC)cc1OC 569275597 KFMOSUIOSDENIX-UPVQGACJSA-N 448.567 4.753 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 569951726 MGEMAHUGJHJGLF-UHFFFAOYSA-N 437.613 4.895 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)c3ccc(OC)cc3)CC2)c1 585821853 VSSAEBYYJNLQGG-UHFFFAOYSA-N 435.568 4.567 30 10 IJEE N#Cc1cccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586179047 WGYNLHQEPYFYNA-UHFFFAOYSA-N 441.896 4.511 30 10 IJEE C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1cccc(C#N)c1 610356286 NQIMBQYZWUIDMQ-KUHUBIRLSA-N 445.304 4.771 30 10 IJEE CC(C)Cn1c([C@@H](C)Oc2cccc(Br)c2)nnc1N1CCC(C)(C#N)CC1 619848606 LLEJJLOUIVHDHT-MRXNPFEDSA-N 446.393 4.967 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 719505433 PVYAHLKKHBFJBR-CVEARBPZSA-N 429.786 4.540 30 10 IJEE COc1ccc2c(c1)C=C(S(=O)(=O)Nc1ccc(Oc3ncccc3C#N)cc1C)CC2 758147217 HYFRGULFFPQNMF-UHFFFAOYSA-N 447.516 4.792 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 761092906 JSBOKFWHDPNEIJ-NRFANRHFSA-N 449.551 4.900 30 10 IJEE C=CCn1c(SC2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1ccccc1OC 764990475 LWIIQXYOVYTFHR-UHFFFAOYSA-N 430.574 4.631 30 10 IJEE CCc1cccc[n+]1/C(C(=S)N[C@@H](C)Cc1ccccc1)=C(/O)c1ccc(C#N)cc1 786045380 YYWBKIXRBSDMKW-IBGZPJMESA-O 428.581 4.840 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccsc1 790748382 NDQDDSDIEQITSG-HNNXBMFYSA-N 439.484 4.913 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c1=S 799953604 SOIKNQVGLJHUDC-QFIPXVFZSA-N 427.524 4.638 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1cc(C)ccc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1128003196 JNTWBLKZONRSCX-NQIIRXRSSA-N 429.944 4.605 30 10 IJEE C=CCC1(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CCCCC1 1128925149 YAPXPDYOIONUEU-UHFFFAOYSA-N 432.520 4.500 30 10 IJEE C#C[C@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccccc1 1130319217 DGPINDWEQWRKFZ-FQEVSTJZSA-N 431.317 4.885 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)c1 1131763586 XCPFKIVJBLNKDZ-UHFFFAOYSA-N 431.418 4.757 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H](C)C2)c1 1133786951 RWISBQRJCNYAHA-QFBILLFUSA-N 432.973 4.640 30 10 IJEE C=CCCc1ccccc1NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1155340287 KOAVVYFVTVUVOJ-UHFFFAOYSA-N 440.487 4.521 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C(=O)OC(C)(C)C)nc1 1159085176 YQMYNBJIBPTTKH-QGZVFWFLSA-N 448.564 4.641 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2cc(C)cc(Br)c2C1 1175277221 RNPNTKIKYVGWCI-MRXNPFEDSA-N 433.415 4.780 30 10 IJEE C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2ccc(F)cc2C#N)CC1 1175453082 ICMZRCQFNKYSCW-LJQANCHMSA-N 428.511 4.514 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 1178974388 LOELFXQUPCUUMP-YOEHRIQHSA-N 448.951 4.817 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2)ccc1Cl 1180063469 DSIRPBSZFQNXNK-KRWDZBQOSA-N 430.957 4.512 30 10 IJEE C=CCn1c(SCC(=O)CC[C@@H]2CCCCO2)nc2sc3c(c2c1=O)CCCCC3 1187972095 HJPGJQQXNHGOOG-KRWDZBQOSA-N 446.638 4.923 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c(Cl)c2)nnc1-c1ccc(OC)cc1 1188123002 XXVQJXFQMZFASO-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@H](C3CC3)[C@H](CO)C3CC3)cc2Cl)c1 1199731166 BERWETHDRAKSAJ-NFBKMPQASA-N 439.943 4.709 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)cc1OC 1207689091 RBIIALAXMHMZCT-IBGZPJMESA-N 449.378 4.961 30 10 IJEE N#CCc1ccc(S(=O)(=O)NC2(c3cccc(Br)c3)CCCCC2)cc1 1212235638 HTBJYEVAGAGWFQ-UHFFFAOYSA-N 433.371 4.653 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(=O)N1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 1226237615 VPCXJZPIKJGOKT-OAQYLSRUSA-N 445.485 4.597 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1230908468 WQJPNGHMJIVMLH-SKDZVZGDSA-N 438.412 4.889 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccc(Cl)cc1 1252449974 XCKNREBPHIDAFT-RBUKOAKNSA-N 433.733 4.560 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 1264906082 ZMXVGEWYXXXHHS-KBPBESRZSA-N 443.357 4.652 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)CC)c1)c1ccc(C(F)(F)F)cc1 1266464151 ZVNWDMKYUHBNDF-LJQANCHMSA-N 425.472 4.936 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2S[C@H](C)C(=O)OC)cc1 1269745028 LLIZAPKSNGQNOE-MRXNPFEDSA-N 427.522 4.602 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(-c2ccsc2)nc1 1286301849 PKEQWEOVFDHNCN-LJQANCHMSA-N 443.576 4.795 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSCC1 1286333597 LXNSXQSWDYJYRO-UHFFFAOYSA-N 433.021 4.608 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1286402505 DHCKCZITUNWZTK-LAUBAEHRSA-N 442.966 4.652 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1286497073 MLQOCGMDLXEFEU-FXAWDEMLSA-N 448.633 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@@H](c1ccccc1Cl)N(C)C 1286525115 IMQMWXKHBLIKSW-XUZZJYLKSA-N 426.008 4.884 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1286567542 RBCPHBAKBKJZCO-IZIIKQMZSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCOC[C@H]1C 1286582760 FJKBKUHWTFNTDO-RTBURBONSA-N 430.618 4.654 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)C2CC2)CC1 1286654339 GNEAUDDXFQKXPS-UHFFFAOYSA-N 442.629 4.577 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1286687088 MQBNQLLIFOLCEK-NFBKMPQASA-N 439.604 4.600 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(COC)CC1 1286707508 GIOAVEAZVTVONG-UHFFFAOYSA-N 439.387 4.707 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@@H](CC)C2)cc1 1286795450 ZHIPOYSGNNEHGT-NRFANRHFSA-N 435.597 4.593 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 1292761952 LRPRAEXLKUZPJV-UHFFFAOYSA-N 427.382 4.817 30 10 IJEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2ncc(C)s2)C1 1293497674 CBZLXAWGZIXAQI-AEFFLSMTSA-N 436.585 4.534 30 10 IJEE C#C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1299870131 XZWCSCXXWIGWSI-RUZDIDTESA-N 438.527 4.794 30 10 IJEE Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NCc2ccc(CC#N)cc2)c(O)n1 1299897366 DQBRLUIWFUWUHH-UHFFFAOYSA-N 426.520 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)cc1F 1300282958 KLGYOJNCKUNBKH-INIZCTEOSA-N 438.572 4.929 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCC(F)(F)F 1300743750 ZIBNIZVKJAZQOK-AWEZNQCLSA-N 442.576 4.886 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC(C(C)C)CC1 1300751131 GOYBXINQFOWWRF-UHFFFAOYSA-N 447.446 4.946 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@@H]1C 1300972459 MCPGFHJIBMSTKJ-OALUTQOASA-N 448.995 4.506 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNC(=O)C(C)C)CC1 1301113668 BLHKEVIJVCYHIE-UHFFFAOYSA-N 437.632 4.807 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1301166043 ORLCWRXXXVTZRF-QFQXNSOFSA-N 446.599 4.736 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1301166578 XKWFTABPMUNXEY-OZXSUGGESA-N 431.584 4.629 30 10 IJEE C=CC[C@H](Cn1c(N2CCCC[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301167594 CLGRWHIGDYOYBA-WHSBFGAESA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1301182634 KHAFCWBIYQGHEP-NRFANRHFSA-N 437.636 4.572 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301231033 APRADZHUQGAWLF-PKOBYXMFSA-N 438.494 4.596 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1Cc1nc(C(C)C)cs1 1301341090 OGNUNYDAYYJBKN-UHFFFAOYSA-N 443.580 4.966 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1Cc1ncnn1-c1ccccc1 1301356557 BIBVUSFFTNTMHJ-GOSISDBHSA-N 433.585 4.675 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](OC)C1 1301600588 DVHAGHOQVYGYKT-GOSISDBHSA-N 444.601 4.957 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCC(C(F)(F)F)CC1 1301959505 HPLSGLCESHYNFT-MDCZIUGASA-N 430.478 4.781 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1301970449 FRJMXFWYMSJKRB-SFHVURJKSA-N 448.546 4.981 30 10 IJEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1306340275 BBORNWOTTTVRKY-IEBWSBKVSA-N 429.515 4.791 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1306726684 BELDORRVLYNBQA-WIOPSUGQSA-N 426.653 4.795 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)NCc3ccc(F)cc3Br)n2)c(Cl)c1 1310465696 CJALSMNVTNPSEW-UHFFFAOYSA-N 448.683 4.621 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1312538476 ZIDWVYQKTHBVCY-YWZLYKJASA-N 437.531 4.917 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@@H](C)C2)ccc1OC(C)C 1315291504 HKRFTHJYBBPBOP-GUDVDZBRSA-N 425.577 4.773 30 10 IJEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)C1 1315893093 FZBDLPBMSUPFRN-ICSRJNTNSA-N 435.597 4.620 30 10 IJEE Cc1nc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)ccc1C#N 1342049158 JKNGMNDLXKJTGZ-JOCHJYFZSA-N 439.437 4.657 30 10 IJEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cn(CCc4ccccc4)nn3)c2C#N)C1 1354089343 BPACTAQJGHKZDJ-KRWDZBQOSA-N 433.581 4.857 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCc2csc3ccccc23)cc1 1355495316 ZGYMBDGNBIAQNB-UHFFFAOYSA-N 428.579 4.669 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1cccnc1Oc1cccc(F)c1 1358984699 DPWGXWWWYXRVGH-IBGZPJMESA-N 431.515 4.629 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1358988370 MGIYLJRTQVEVOT-XUZZJYLKSA-N 430.552 4.605 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359002561 DTIBPOPFHUJZAU-MUJYYYPQSA-N 449.368 4.510 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](COCC)C1 1359051842 LLWWLEWCKGUBNX-HXUWFJFHSA-N 440.657 4.862 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccccc1OC(F)F 1359072546 HUZFPXLDEHKBEE-JOCHJYFZSA-N 428.508 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)C)C1 1359102764 FOHUXJFIHJJKQT-PWHSHALESA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCc2ccccc21 1359107451 MKWFTCGGARXFIQ-NVQXNPDNSA-N 438.616 4.841 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](CC)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1359196092 XFLOQRFWLRIHIS-WHSBFGAESA-N 438.616 4.917 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1cc(C)cs1 1359213657 BRYMZXLYLGQPIA-UHFFFAOYSA-N 448.596 4.647 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2Cc2cccs2)nnc1[C@@]1(OC(C)C)CCOC1 1359220484 ANLHBALAYOROQF-AUSIDOKSSA-N 430.618 4.558 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1359290493 DALNMDFSPLPPRF-LPHOPBHVSA-N 429.540 4.873 30 10 IJEE Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)CSc2ccc(C#N)cc2)cc1 1434972565 CUNCFZRPLMUVKR-XMMPIXPASA-N 441.556 4.946 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 1454654989 IXFXWLDVKGGBDJ-UHFFFAOYSA-N 427.426 4.654 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1 1456677623 PMGXNBZXWHKRIR-IBGZPJMESA-N 447.645 4.663 30 10 IJEE C=CCn1c(SC[C@@H]2CCCC[C@H]2C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 1458722503 BSINFDZXYJUSTC-JKSUJKDBSA-N 446.638 4.984 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1)c1ccccc1 1464374949 GKLGOGUXYHSVNR-NFBKMPQASA-N 430.552 4.692 30 10 IJEE C[C@H](C#N)CNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1465201626 GGKPLWMEYYCPDU-IQGLISFBSA-N 439.515 4.542 30 10 IJEE C#CCN(C(=O)Nc1cccc(OCC(=C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1465535514 MLZKWYZXVZFUJJ-UHFFFAOYSA-N 427.545 4.508 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 1466926050 OTRCZRRKJCGQON-UHFFFAOYSA-N 441.453 4.918 30 10 IJEE C#C[C@H](NC(=O)NC1(c2ccc(Br)cc2)CC1)c1ccc(Br)cc1 1470662029 BSVMERTTWOIKQK-KRWDZBQOSA-N 448.158 4.874 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1)c1ccc(Br)cc1 1470663469 OHUPPDTZOXNMNA-NHCUHLMSSA-N 427.342 4.514 30 10 IJEE O=C(CCc1nc2cccnc2[nH]1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1472581329 CBNUIYUASKSJBH-UHFFFAOYSA-N 434.315 4.819 30 10 IJEE C#CCN(CC(=O)NCCCC1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 1473169294 WRDSKXCJQWYIKW-NRFANRHFSA-N 447.417 4.685 30 10 IJEE N#Cc1cc(Br)ccc1CN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1473783286 IFGLAKOXESBLLQ-UHFFFAOYSA-N 440.263 4.778 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3)cc2)nc1 1476056510 GBILDBFHXCGTJB-IBGZPJMESA-N 433.899 4.799 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)NCC1(c2ccccc2Br)CCC1 1476316881 GBQYALHIMYBWCJ-OAHLLOKOSA-N 428.330 4.983 30 10 IJEE CCCn1ccnc1CCCN(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1476581342 FULQZASSQODFRY-UHFFFAOYSA-N 447.587 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCc1csc(C(C)C)n1 1507526281 LOKJUHOWIZYOGY-KRWDZBQOSA-N 430.581 4.774 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1507832631 KHLJDNUTDHAQIY-REWPJTCUSA-N 437.613 4.814 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1507833865 LIIONITVHHEOOE-OAQYLSRUSA-N 438.597 4.989 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)F)CC1 1507917192 MADOXAMMPGQVSW-UHFFFAOYSA-N 437.966 4.512 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1507959186 JJEHOKNTLGLLKT-CZTZKLFOSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCc1ccccn1 1508009073 XAPSCVMFBKPUOE-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCOC[C@H](C3CCC3)C2)nnc1C(C)(C)C)C(C)C 1508014516 VEWMTDKQJXOGNC-PKTZIBPZSA-N 443.680 4.527 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1cccs1 1508073735 OXSOXFUCRMVCEA-VQTJNVASSA-N 435.597 4.525 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(Oc3cccc(F)c3)nc2)C1 1508109402 LVRZVUPKKWHUSD-OAQYLSRUSA-N 437.519 4.558 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC1CC1)C1CCC1 1508151498 XJWIMERCKYHDPZ-UHFFFAOYSA-N 436.423 4.724 30 10 IJEE CC(F)(F)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)cc1 1510131522 DZJKVPUQUCGYDX-FQEVSTJZSA-N 429.515 4.810 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1 1511664953 GIAVGXUBTSIKNG-UHFFFAOYSA-N 445.615 4.848 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(OC)cc2OC2CCCC2)cc(OC)c1OC 1515703708 IJHVAKRXDIFKAM-UHFFFAOYSA-N 425.525 4.692 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1516905292 DKIGFWFTKHLIQC-LJQANCHMSA-N 431.556 4.974 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(F)ccc(Br)c2C)cc1 1518641311 JSEDUQCRKJWQHC-UHFFFAOYSA-N 431.305 4.963 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)s1 1526226546 IAJGWFAZLJPMML-CYBMUJFWSA-N 439.002 4.705 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)Cc1cc(OCC)c(OCC)cc1Br 1527474412 XUXUYPRPGRVJLN-UHFFFAOYSA-N 448.332 4.590 30 10 IJEE C=CCc1cc(CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)cc(OC)c1OC 1528661644 NJSFDTBZUCUMNI-UHFFFAOYSA-N 449.469 4.970 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)CCCN1C(=O)OC(C)(C)C 1531384342 ZEJJHUIUSMFFSI-NRFANRHFSA-N 446.960 4.590 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1533084520 VONJBKZULPPHIE-DTQAZKPQSA-N 430.426 4.682 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1cccnc1)C(C)C 1539028977 FNCGTIQJBQMOPD-URXFXBBRSA-N 431.584 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCC1CCN(CC)CC1 1539547374 XKXJVOFDXKKREP-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539587231 ACANGYDIOZTZBZ-BETUJISGSA-N 441.320 4.590 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(OC)cc2OC)s1 1539608052 PUFLIVZGQIVIQL-LBPRGKRZSA-N 426.991 4.733 30 10 IJEE C#CCCCCCC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1540366643 IFQYFWVCOYBRAR-UHFFFAOYSA-N 449.370 4.772 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1540855941 HNKWRUFJAVBNBC-OAHLLOKOSA-N 437.357 4.817 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2csc(C)c2)C1 1540884665 SXANKRIIFZDZTQ-LAUBAEHRSA-N 442.560 4.757 30 10 IJEE C=CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)C1CC1 1546150379 MKIVEURUUJGXCO-UHFFFAOYSA-N 432.545 4.945 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 1556797378 WZEGCIFSHMKNKV-XMMPIXPASA-N 443.547 4.617 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 1561662189 BYVVKRVAHHYDFG-WMLDXEAASA-N 439.762 4.589 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)C(F)(F)F 1562909531 GVPLLQTUNDKEII-GOSISDBHSA-N 445.420 4.968 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4ccc(F)c(Br)c4C3)cc2n1 1563301562 GWIUPDRPFUHTJF-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 1563833068 CXDYBRBHRJDAMD-LJQANCHMSA-N 426.973 4.717 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 1565047948 JWIRHUHOUALZJW-KSEOMHKRSA-N 427.589 4.777 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc(Cl)cc1F 1583578413 FTABZCGBUKHYJB-JTHBVZDNSA-N 448.881 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCOC1CCCCC1 1587579000 BNVFWNLQFDXKGM-QGZVFWFLSA-N 432.515 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(Cl)cc1 1587678124 PBQAOTNUFUFETI-LPHOPBHVSA-N 443.979 4.510 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCSC2)C1 1587706178 MPJKIMFVDACDGC-JPYJTQIMSA-N 428.577 4.694 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C 1587944698 RWSFDZMGXJTIDT-IEBWSBKVSA-N 432.486 4.768 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1cccc(C)c1 1588259257 XIOFHTXINZENEQ-GMKZXUHWSA-N 432.612 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1CCOCC1 1589185799 KUEHVZMAUSSCTO-AREMUKBSSA-N 436.600 4.789 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(Nc3cccc(C)c3)CC2)nnc1C(C)(C)C 1589577712 DOIMKVJTQSDORM-OFNKIYASSA-N 437.632 4.946 30 10 IJEE C=C(CN(C)C)C(=O)N(C)Cc1ccccc1Oc1ccc(Cl)cc1Br 1589708749 CBJCTHCIMBAMOA-UHFFFAOYSA-N 437.765 4.971 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1593718436 YHBPLCWRZBPAJW-UYAOXDASSA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(COc2ccccc2)CC1 1593735634 NKTONYOPZLYVCH-UHFFFAOYSA-N 447.583 4.537 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1593741755 WTOFJGZTXYCIKI-QHCPKHFHSA-N 442.579 4.618 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1594430598 OSUQJTBNFLQXNM-QFIPXVFZSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1594483950 JSSSXRSLNVWTCS-JOCHJYFZSA-N 435.547 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1594503948 BCDCTDYFXFSKRH-NQIIRXRSSA-N 428.024 4.798 30 10 IJEE C=CC[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CC)c1ccccc1 1594545144 QCTKKUIOODHHNS-QHCPKHFHSA-N 445.615 4.658 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 1594572878 MBZBIYYOAVFPTD-HXUWFJFHSA-N 435.538 4.861 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1594591421 VOFYYDYATDQVBE-FQEVSTJZSA-N 434.569 4.516 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 1594767171 OUCZNIAXTQNCBC-HUUCEWRRSA-N 425.360 4.744 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(CN2CCCCCC2)CC1 1594819657 ICDGWKCRQOJKKD-UHFFFAOYSA-N 431.669 4.552 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC(C)(C)C1)C(C)C 1595170598 FJVIUZUNQNJWHG-VXKWHMMOSA-N 429.653 4.845 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1595303383 RRYCWDFTIAPRBX-IAGOWNOFSA-N 428.524 4.863 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@H](C)[C@@H]1C 1595860403 NUESVLZVCZZONX-DLBZAZTESA-N 425.627 4.743 30 10 IJEE C#CCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C1CCN(C(=O)OC(C)(C)C)CC1 1596141682 FARXNNRVJRZSNR-UHFFFAOYSA-N 449.595 4.912 30 10 IJEE CC(C)(C)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCc2ccccc2C1 1597047443 FDRHCOUQFFVUIG-UHFFFAOYSA-N 434.632 4.543 30 10 IJEE C=CCCC[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccccc1 1598378954 BDRIDXQNJUOMGO-IBGZPJMESA-N 430.342 4.977 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(O[C@@H](C)c4ccccc4)ccn3)n[nH]2)c1C 1611580478 LMITXCNFEZZOFW-SFHVURJKSA-N 442.523 4.863 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccn1-c1cccc(I)c1 1617458855 OQLCFVZKQBKEAE-MAUKXSAKSA-N 434.321 4.947 30 10 IJEE CCN(CCNC(=O)Nc1ccc(F)cc1OCCC(F)(F)F)CCC(F)(F)F 1624109567 CTYHSXOHDZBWCQ-UHFFFAOYSA-N 433.368 4.553 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(CC2CCCCC2)CC1 1625538539 KHSLMBGWDMEHQM-UHFFFAOYSA-N 436.394 4.744 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O 1628284531 NHNHMKZZOWJODC-UHFFFAOYSA-N 428.297 4.750 30 10 IJEE C=CC[C@@H](NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1CCC)C(=O)OCC 1633797947 VDQVJBFHSKOXMH-CQSZACIVSA-N 425.312 4.839 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCC2)c2cc(Br)ccc21 1635855284 GMMFHGUVWWAJQM-KRWDZBQOSA-N 447.373 4.524 30 10 IJEE C[C@H]1CC(=NC(=O)CCc2c(-c3ccccc3)[nH]c3c(Br)cccc23)NO1 1637839939 BJAYLYOQZZWCTO-ZDUSSCGKSA-N 426.314 4.769 30 10 IJEE CCn1c(SCC(=O)[C@@H](C#N)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640709445 FLSIHWUHGBYNET-YOEHRIQHSA-N 437.590 4.571 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN([C@H](C)c4ccsc4)CC3)c2C#N)C1 1642802195 CLSOLQXJWDQMKB-DLBZAZTESA-N 442.654 4.513 30 10 IJEE C=CCn1c(SCc2ccc(C3(C(=O)OC)CC3)cc2)nnc1-c1ccc(OC)cc1 1643417457 UELGXNGIYOVALY-UHFFFAOYSA-N 435.549 4.637 30 10 IJEE C=CCn1c(S[C@H](C)c2nc(C(=O)OC)co2)nnc1-c1ccc(Br)cc1 1643495292 VQFBROYPAZEPDP-LLVKDONJSA-N 449.330 4.522 30 10 IJEE C=CC[S@](=O)(=NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 1646622613 BTALZCIFXDTSJO-MUUNZHRXSA-N 431.867 4.796 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)c1 1647130555 UOLIWJRMHNIPAC-UXHICEINSA-N 441.531 4.807 30 10 IJEE COc1ccccc1C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C 1654098654 HYPNGIKYOAXWEA-HXUWFJFHSA-N 425.598 4.693 30 10 IJEE C#CCN(Cc1ccccc1OCCCCO)[C@H]1CCOc2ccc(Br)cc21 1657513095 CJQNVJKVFYZKHK-NRFANRHFSA-N 444.369 4.559 30 10 IJEE C[C@@H](NC(=O)CN[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 1658538494 DRNHDLKEFMKQAA-DIFFPNOSSA-N 438.343 4.795 30 10 IJEE CCO[C@H]1COCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1659578866 BMWAWBJMZRSBCO-QUCCMNQESA-N 449.429 4.685 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC(C)(C)c1nc2ccccc2n1C 1662573962 RXMZBDYRBNBZOU-UHFFFAOYSA-N 443.345 4.957 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 1664630276 CJMYUNGCAAHGDR-NDEPHWFRSA-N 432.656 4.860 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1667558528 FQQDCZYELWYRQQ-INIZCTEOSA-N 431.305 4.697 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1)[C@@H]1CCCc2ccccc21 1670519844 JSBXKCXNMXZASP-VGOFRKELSA-N 432.499 4.968 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc(Cl)cc1F 1670664354 PQGNSDHFJQZCDT-INIZCTEOSA-N 440.277 4.604 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)c1 1670783092 WRMIMZBYUHUWMU-UHFFFAOYSA-N 437.496 4.585 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)CC1 1674713479 ABGKHZDWVSQLSN-RUZDIDTESA-N 428.511 4.755 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccccc1 1680810311 VVWZKJZNNHETBT-RBUKOAKNSA-N 437.531 4.885 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1)c1ccc(Br)cc1 1682357139 UDMTWGUCXUQJFV-GCJKJVERSA-N 446.433 4.810 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(c3cccc(Br)c3)CC2)cc1 1682560122 MDDVZNQVJLJICP-UHFFFAOYSA-N 427.342 4.550 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F 1682753307 NQOTXEFKJSVDDT-UHFFFAOYSA-N 430.389 4.913 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](C)c2ccc(O[C@@H](C)c3ccccc3)cc2)n1 1686978039 NZVVTDLLYYLZMT-RTWAWAEBSA-N 430.552 4.949 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1c(Cl)cccc1OC 1689951170 NLYXNIKMKCRFAQ-HNNXBMFYSA-N 441.000 4.911 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1CCC(F)(F)CC1 1690063580 IHXPPCSXLDGGDZ-UHFFFAOYSA-N 437.332 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(Nc2ccccc2Cl)CC1 1690249297 WRKRAJDSNPUDDZ-JTSKRJEESA-N 429.996 4.556 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCCC1 1690302317 AESOESSHHFHZIX-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1690412552 VSTYRIWZOUUWSV-HXUWFJFHSA-N 445.652 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(C)C)C1 1690437439 CWKYTNPZTYLXKL-GOSISDBHSA-N 429.634 4.744 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1690445014 PZSNNTHLCRFWAN-IBGZPJMESA-N 447.612 4.694 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N(C)CC1CCOCC1 1690456290 BRXALFOQXVIUTM-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1690500479 WXMNNONEZDGANP-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(Cl)nc1 1690515379 LPJJJJNMJLYEGJ-MRXNPFEDSA-N 427.936 4.536 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@]1(O)CCCC1(C)C 1690553728 FCUQSNORUOTRQJ-RUZDIDTESA-N 426.605 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)cc1F 1690577749 MCQVGRMIYQXVHW-MRXNPFEDSA-N 432.952 4.877 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCC[C@](C)(OC)CC2)nnc1C(C)(C)C)C(C)C 1690583453 LMIGWOXPKUCOPF-BWKNWUBXSA-N 431.669 4.670 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1c2ccccc2C[C@H]1C 1690600714 AWKHFEVLHQNBQI-KIFXHHALSA-N 449.643 4.826 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)CCC1 1697940554 BBXWCQCCKWWVGJ-UHFFFAOYSA-N 435.597 4.764 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H]1C)C(C)(C)C 1698356675 GHTXSIJEVHPYHQ-FUHIMQAGSA-N 427.618 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1c(C)noc1C 1705482500 APYXZLLYWDHSHQ-VXGBXAGGSA-N 448.390 4.636 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS[C@@H](C(C)C)C1 1705514468 XSGIHKBJWOMNRS-JOCHJYFZSA-N 434.613 4.512 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCc2ccc(Br)cc2C1 1705516256 WVOOQEUUEQBGFQ-HXUWFJFHSA-N 443.389 4.648 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCCOC(C)C 1705606551 XDCKNBMLTONAQC-UHFFFAOYSA-N 437.357 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCS1 1705671369 HZMFGGGSAVQWHA-HRAATJIYSA-N 445.430 4.985 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(C)(C)C)C1 1705684663 YOUFUTSLQLCUTL-HNNXBMFYSA-N 434.338 4.634 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1 1705694670 DICCFWBULJBTPC-IFMALSPDSA-N 433.581 4.538 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)c2nc(C)cs2)CC1 1705765938 IBFDUQURVKLZFZ-INIZCTEOSA-N 439.585 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705793831 LNFLKKSDYJGMPT-SFHVURJKSA-N 442.677 4.547 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccccc1 1705795985 VYAYSCSNFRFWQE-OFNKIYASSA-N 445.615 4.577 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1705812231 UOCRQVQGBAXTAB-SFHVURJKSA-N 438.551 4.641 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1705836826 HESLSYYPXMGSBM-KRWDZBQOSA-N 439.560 4.817 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Oc2ccc(Cl)cc2)C1 1705926153 YVYWNPIXMPEOHO-FXAWDEMLSA-N 432.996 4.769 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCOC2(CCCCCC2)C1 1705947303 HKQCOLWDWIRPQC-UHFFFAOYSA-N 444.620 4.857 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCc2c(F)ccc(F)c2C1 1705948296 OENJMZOCQRTUFN-UHFFFAOYSA-N 432.565 4.691 30 10 IJEE COC[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@](C)(C#N)C1 1712143373 AMOGSZWJRHPEKR-KBMIEXCESA-N 439.604 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)c1cc(C)oc1C 1722511888 PKZFTHVJBOKEHZ-JOCHJYFZSA-N 429.952 4.513 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CCSCC 1722542955 CCXRFOOZIXCKDO-QGZVFWFLSA-N 436.025 4.868 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2nnc(C)s2)CC1 1722564125 IDRMXXONZPMVQJ-OAHLLOKOSA-N 444.992 4.631 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2nccn2C(F)F)CC1 1722564354 OKCDDDMEYOTVIZ-GOSISDBHSA-N 442.514 4.831 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(OC)CCCCC2)CC1 1722581944 HZHZXFHGHHTVCD-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 1722588411 SDDAJYPOABEZFK-KRWDZBQOSA-N 444.448 4.517 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1722612335 QVRPGBJPCAYFRZ-OAQYLSRUSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1722614507 POUZHYGEVJTSQO-RBUKOAKNSA-N 434.588 4.684 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CC(=O)NC1CCCCC1 1722659826 DQGHYCHAOFWWLD-UHFFFAOYSA-N 441.595 4.647 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1CC1CC(F)(F)C1 1722673781 DLUMGSGCUJTPHP-UHFFFAOYSA-N 430.474 4.881 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)C1CCCCC1 1722676560 DGKLUSBBIBLTES-RDGATRHJSA-N 442.604 4.679 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO[C@H]1C(C)C 1722677040 RIAQTTYLJHCLDT-QPPBQGQZSA-N 449.599 4.928 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1722734289 YGYROVOTCPYNDU-LJQANCHMSA-N 441.988 4.960 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 1722735942 VNVNOAYPESXPOL-QGZVFWFLSA-N 446.617 4.517 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 1724333352 BGOLJYWLYNWLLO-JLRUASKGSA-N 439.579 4.785 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1740536152 ZWXSOEORKBZZIJ-MOPGFXCFSA-N 444.023 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OCC(F)(F)F 1740730868 KFKWWWWSOJMREG-DENIHFKCSA-N 448.489 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCOC1 1740734448 FHPCUMAFPDUMJK-OPAMFIHVSA-N 449.382 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(CCC)Cc1ccc(F)cc1F 1740762489 DWOZNYUNQCKEHE-XXBNENTESA-N 430.543 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCC(C)C 1740763361 KEZPJTCBDIBQRP-URXFXBBRSA-N 426.605 4.937 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@@H]1C 1740789216 IPCBHVZIEMSOCZ-UXHICEINSA-N 436.556 4.945 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2ccc(O)cc2)CC1 1740819753 CKSFVGWVZHLEKW-UHFFFAOYSA-N 445.386 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1740845911 GDVRAGUULYESQV-NRFANRHFSA-N 439.510 4.799 30 10 IJEE C=CCn1c(N2C[C@H](c3ccccc3)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950172 UEEOGQFNXXKZJV-MJUUVYJYSA-N 437.588 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCCCC1 1748687617 NKZMGLBWXCJZNY-HXUWFJFHSA-N 425.646 4.601 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCc2sccc2[C@H]1CC 1749101624 DHPFSWLCMZZLLQ-GOEBONIOSA-N 437.407 4.656 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1749341782 ORPAINQBQIQYCP-UHFFFAOYSA-N 441.620 4.905 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1749380878 AYAGPPKECUDYFL-IFMALSPDSA-N 439.604 4.640 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(OC)C1)c1ccccc1 1749384898 JHRVLDFSTBMVCG-YPAWHYETSA-N 438.616 4.782 30 10 IJEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1749398669 NPEOJQKRQUMBBT-ZWKOTPCHSA-N 442.633 4.549 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1749411907 HOPCGBODOKMHMJ-ICSRJNTNSA-N 428.552 4.776 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749485016 NBRWVMOIOZFNKD-KBMIEXCESA-N 434.588 4.733 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCn1nc(C)cc1C 1749501854 JAIVRFVSCUDOQK-UHFFFAOYSA-N 431.009 4.750 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CC[C@@H]1CCCCO1 1749563330 CSXYOGAWQSDBEK-IBGZPJMESA-N 431.378 4.845 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1749703456 IVYAWQVQZQTNER-ZEQRLZLVSA-N 447.583 4.570 30 10 IJEE C#CCCCCn1c(N2CCCCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760143136 XBIPFDYIONTRKJ-BGYRXZFFSA-N 429.609 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)CCC(C)C 1760291075 ZYTRSQYFGXFRHD-CLJLJLNGSA-N 446.599 4.515 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1 1760308803 RXDYHVXXISECIV-CYBMUJFWSA-N 439.348 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760340789 ODNQRDLLYDELTQ-WOJBJXKFSA-N 429.584 4.519 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C1CCN(CCC)CC1 1760341466 DHLFAJGRSYCXOH-NRFANRHFSA-N 425.621 4.922 30 10 IJEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](SC)C(C)(C)C)CC1 1760389916 WRDUFOFJBUMURE-WOJBJXKFSA-N 428.602 4.725 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccnc2OCCCC)CC1 1760398354 VGDWTTDODQERRP-UHFFFAOYSA-N 447.583 4.978 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760405377 RKBLJOBZHKPIOP-CJFMBICVSA-N 426.605 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1CSC 1760408398 BAYCZFFQZUPOLR-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760409475 WCYQHZBIVRSOBU-HKUYNNGSSA-N 445.558 4.822 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCc1nc(C(C)(C)C)cs1 1760479770 AFCVQOQMLBOYTC-UHFFFAOYSA-N 434.613 4.901 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H](C(C)C)N1CCCC1 1760481920 LVBFXRGYCMJPFJ-DEOSSOPVSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCO[C@@H](C)C1 1760485797 QOPCCNYZEARBGO-ICSRJNTNSA-N 433.581 4.886 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1760507043 BLRJCFYPIPCBKD-LBPRGKRZSA-N 436.304 4.708 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 1760542727 JQHGNAXDOPFKJF-JBRSBNLGSA-N 438.616 4.734 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1761077592 CTTSQWAMRNRCIC-KCZVDYSFSA-N 425.552 4.806 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCc1ccc(Br)s1 1761358780 FCNVUKXALJGQRW-CQSZACIVSA-N 430.375 4.750 30 10 IJEE CCc1ccc(N=Nc2c(C)c(C#N)c(=O)n(CCc3ccc(OC)c(OC)c3)c2O)cc1 1772741590 WVNCPWXPXIDYNU-UHFFFAOYSA-N 446.507 4.972 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@@H](CCCC)C(=O)O)n2)ccn1 1857836297 MJRDXFLFZHRKQS-NRFANRHFSA-N 431.540 4.926 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861582120 FYNXDWHQOJGWCZ-RLHAVTDZSA-N 432.605 4.869 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430619 NWLXPDXTUCVECH-LJQANCHMSA-N 425.893 4.886 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(F)c2)c1 1862556407 VYNRDDUQZSHYDX-QHCPKHFHSA-N 430.479 4.803 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc(Cl)c2)cc1OC 1862569109 FUAMAQDPPHLPBF-OAQYLSRUSA-N 443.927 4.982 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862580145 YLIDCNBOYHQQTH-LJQANCHMSA-N 449.425 4.711 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(F)c2)cc1F 1862637353 FHENZVJUFOUKHU-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCCO)cc1 1862648987 OGTHBEHWCDCHBE-XMMPIXPASA-N 429.516 4.889 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCO)c1 1862655463 IZVCXKQNVKJLGX-XMMPIXPASA-N 445.515 4.589 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862674071 RYVZQAKCUVYSEM-QFIPXVFZSA-N 435.426 4.622 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)O)cc1 1862715266 SXHYJYZVYSMCQR-OYHNWAKOSA-N 429.472 4.915 30 10 IJEE COc1ccccc1C1=C(Nc2cc(Cl)ccc2C)C(=O)N(c2cccc(C#N)c2)C1=O 1863060022 HQDTWGJPDGAGAK-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(Cl)cc2)C1=O 1863535506 IEAUZEKLXJREJD-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccccc2OC)C1=O 1863767081 ZFDNAKCFIZLGOL-FQEVSTJZSA-N 442.600 4.684 30 10 IJEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 1866302656 VVKBXUVSMRFEFK-ZETCQYMHSA-N 447.105 4.889 30 10 IJEE CCC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866775578 NSAGIUNFDXSTNF-GMAHTHKFSA-N 435.568 4.929 30 10 IJEE CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(-c3cccnc3)n2)C[C@@H]1c1ccccc1 1868553284 MIAJSVAVEVQCBY-XMMPIXPASA-N 447.546 4.647 30 10 IJEE C#CCOc1cn(CCCOCCCC)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871005448 GQWUBTLGZDHFPQ-UHFFFAOYSA-N 436.474 4.698 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1cccs1 1871872946 XTAHWHSASKDJNZ-GOSISDBHSA-N 426.991 4.632 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)C1CC1 1872145255 VMYUTHFQYFPTCI-HSZRJFAPSA-N 441.597 4.764 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCC 1872294160 JRWLMRHEJPAPMZ-HSZRJFAPSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N(CC)CC)cc1C)[C@H](C)CC)S(=O)(=O)C1CC1 1872589682 ROZQJQFISWMCGU-JPYJTQIMSA-N 449.661 4.565 30 10 IJEE N#C[C@H](C(=O)c1ccccc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763017 BZFATHFFMAEFLO-CQSZACIVSA-N 428.267 4.971 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874223172 XGDPFUGIUBIATM-XQNSMLJCSA-N 439.541 4.755 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc(OC)c1OC 1874245928 DFVRWOVIVQFBMO-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccncc1 1874406728 QICVAOREDPYHKN-WGOQTCKBSA-N 448.596 4.717 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1c(F)cccc1Cl 1874435626 PPDCGDHWTLQEJR-FSJBWODESA-N 439.988 4.502 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2C2CCC2)cc1 1874499163 YYDMRHGLSLTPGX-JVWAILMASA-N 447.608 4.960 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2ccccc12 1874651302 QKAWNBQUYAGOBW-AREMUKBSSA-N 437.543 4.863 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1cccnc1 1875177014 WSSVOUMTBBOPAI-YRNVUSSQSA-N 433.460 4.613 30 10 IJEE C=CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(NCCc3ccc(C)cc3)ncnc21 1875227767 LBXWJYCWQOAFJK-WOJBJXKFSA-N 431.584 4.698 30 10 IJEE C#Cc1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(CC(=O)O)c1C 1887520700 CHLMHKHGXZHXLM-UHFFFAOYSA-N 425.484 4.989 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H](c1ccccc1)c1ccc(Cl)cc1 1891596205 BQCDHACOAQBPJK-AREMUKBSSA-N 428.963 4.650 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2002465538 DTSGKXFBOJOHNX-OALUTQOASA-N 437.506 4.980 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2020332017 JRIOJBRMTQIWID-XUVXKRRUSA-N 437.625 4.615 30 10 IJEE CC1(C)OB(c2cnc(Oc3ccc(Cl)c(F)c3)c(Br)c2)OC1(C)C 2115996596 QCQQRUULXFSBSC-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC[C@@H]1CCN(Cc2ccc(Br)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2174563746 AMMKNUYBRUVJBV-DNVCBOLYSA-N 436.394 4.836 30 10 IJEE C#Cc1ccnc(NC(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)c1 2182279537 HRGGEKNKOWLPQO-UHFFFAOYSA-N 430.302 4.733 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CCOc1cc(Br)cnc1C#N)C2 2198831689 IVLDNKMJBTUJKR-HOTGVXAUSA-N 436.350 4.663 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2ccc(Cl)c(Br)c2)CC1 2201805859 KFLUQYBDBVDJKN-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE Cc1cc(Br)c(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)s1 2229371479 ZQBCPTCMOVEWKA-KPZWWZAWSA-N 426.185 4.517 30 10 IJEE C=CCN(C[C@H](NCCC)c1cc(Br)nn1CC1CC1)C(=O)OC(C)(C)C 2233303287 JVBTUENIVQHOBK-INIZCTEOSA-N 441.414 4.519 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](Nc1cc(Br)c(C#N)cc1F)C2 2234573293 QRPRENXYVCHISL-DCGLDWPTSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc(C(=O)C#Cc3ccccc3Br)c21 2235718240 CRRZCHIOBVDWJC-UHFFFAOYSA-N 426.310 4.981 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCCCC[C@H]1NC(=O)OC(C)(C)C 2261830582 YEHBZIBEWCQLEJ-BWKNWUBXSA-N 447.572 4.847 30 10 IJEE CN[C@H](C#Cc1ccccc1F)c1cc(I)ccc1Br 2281378477 XKPLYMBKHIBTAV-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)C=CCCN1C(=O)OC(C)(C)C 2296230631 VNEZVIRKYPMRLR-KNQAVFIVSA-N 433.390 4.734 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 2296290232 AEWMPBMOFQGVMS-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296300631 KTEJLRWWIXVBIS-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2296310924 PMQWREYVGKQYBW-NSISKUIASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@@H](N)C#Cc2ccc(Br)cc2)C12CCC2 2296311142 SQYGLSJUORXUCQ-NZSAHSFTSA-N 433.390 4.602 30 10 IJEE CC(C)[C@@H](CS)COCc1ccc(I)c(Br)c1 2306305357 WFYFSWIZXHOJCT-LLVKDONJSA-N 429.161 4.772 30 10 IJEE C=CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=Nc1cccnc1Cl 2314540811 ZCGISVLSOHJLNX-UHFFFAOYSA-N 445.928 4.551 30 10 IJEE CCOc1cc(C=NNc2oc(-c3ccccc3)nc2C#N)cc(Br)c1O 2320833968 MEFWBNWYMONEDZ-UHFFFAOYSA-N 427.258 4.526 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cn(C)c2ccccc12 2320964789 QTHVAQGLZFGRPC-UHFFFAOYSA-N 446.580 4.562 30 10 IJEE Cc1ccccc1CSc1nnc(C)n1N=Cc1ccc(OC(=O)c2ccco2)cc1 2321761181 OCCDUFRQXQJPTM-UHFFFAOYSA-N 432.505 4.882 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)c(OC)c1 2322054704 SIFLWBOUJJHYTL-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@@H]3C)CO4)C2=O)cc1 2322145810 BVRCHTGORNZQCH-KKSFZXQISA-N 433.504 4.820 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OCC(=O)NCc1ccccc1 2323168632 OJYHMZFDYZZSNF-UHFFFAOYSA-N 433.479 4.734 30 10 IJEE CC(C)Oc1ccc(C=Nn2c(S)nnc2Cc2ccccc2)cc1Br 2323511612 XMUGIRCMAXEXRU-UHFFFAOYSA-N 431.359 4.590 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(N)=O)c(Br)c2)cc1C(C)C 2324262504 ZQKGWBWHVAEBNC-UHFFFAOYSA-N 446.341 4.650 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)c(OCCCO)c(OC)c2)c(C)c1C 2324305701 KUVDDTQZHNFHST-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccc(OC)cc2)CC1 2328179508 UAPGKCFZEYAFFS-UHFFFAOYSA-N 444.601 4.898 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SCC)cc1OC 2328785222 PSUPRCLFMWNZEO-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2)o1 2330482416 LJGBOCFCQLVUPF-UHFFFAOYSA-N 446.532 4.813 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)c1 2330800199 CJCDXDPGTAXCNV-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 2331115510 GRGLRXZZEBTHBG-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)c1 2331183128 PVZAJRIGSSCKOD-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(F)cc1F 2331319845 RZULSDSLDJFUHC-UHFFFAOYSA-N 447.486 4.651 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CC3)c(OC)c2)c(OCC)c1 2331733165 VLYVETNKCHKWGZ-UHFFFAOYSA-N 440.492 4.713 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578246 DTRZANFOFZRUNQ-LUOJLBBYSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339606479 RHRUZJUZIFITGS-DTCDPSDVSA-N 442.365 4.503 30 10 IJEE CN[C@H](C#C[C@@H]1CC1(C)C)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2365079278 FNGYAAIMMHBQCP-BHIYHBOVSA-N 435.406 4.522 30 10 IJEE C#CCCCCC[C@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366673685 XUYNTINDDJFTAQ-GXTWGEPZSA-N 425.763 4.601 30 10 IJEE C=C(C)CC[C@@H](C)N[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376687017 ZRGAPFRITDKOSO-OTYXRUKQSA-N 425.186 4.907 30 10 IJEE COC(=O)c1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 15244840 BGUZEZALYQNAOS-FQEVSTJZSA-N 440.908 4.583 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)cc1OC 21246114 DLFTUKBCEVQQDB-HUUCEWRRSA-N 443.902 4.891 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(-c4ccc(C#N)cc4F)n3)cc2)cc1 33122864 VMSCETWRQDNCNV-UHFFFAOYSA-N 434.452 4.524 30 10 IJEE COc1c(Cl)cc(Cl)cc1/C=C1/S/C(=N/c2ccc(C(=O)O)cc2)N(C)C1=O 33293524 JOXHXFDKQMQEGX-NJOYJYIGSA-N 437.304 4.934 30 10 IJEE COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2OC)ccc1O 33321114 GOQWCUPDBBHCNV-WNSKOXEYSA-N 432.476 4.664 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1 35848046 PRAYKZRNRPPBEO-UHFFFAOYSA-N 448.470 4.839 30 10 IJEE CCn1cc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c2cc(OC)ccc21 41513445 SIRZKRHWACSROK-FMCGGJTJSA-N 432.520 4.896 30 10 IJEE CN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 59446374 WFIHCCRCIINFOX-HNNXBMFYSA-N 442.755 4.919 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 170006181 BXRLYHWHJISMFI-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170077477 GAVWQFYGTDFYTR-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(C)o2)c1 170099564 AZBCJILVSRKLCF-NRFANRHFSA-N 448.431 4.678 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1 170204785 FEUWEUOPQORKHO-QFIPXVFZSA-N 426.428 4.619 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(O)c(Cl)c1 170219914 SCJIIEKREXTLEQ-IBGZPJMESA-N 433.863 4.572 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2ccccc2)cc1 170227162 OUYLDXWAZHWTQY-XMMPIXPASA-N 440.499 4.607 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 170240090 HBDDLVNKKLJFEX-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCOC(C)C)cc1 170265020 ANHAOUGQZGBNAX-HSZRJFAPSA-N 437.536 4.569 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccco1 170282173 CAULNBSGTAAOEV-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)c(OCC)c1 170293199 DGNAKALIFHAHSE-JOCHJYFZSA-N 439.508 4.988 30 10 IJEE COCCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccccc1Cl 254295379 OCJCPLIMTBDYOU-UHFFFAOYSA-N 437.899 4.901 30 10 IJEE CCCN1C(=O)/C(=C\c2ccccc2OCC(=O)O)SC1=Nc1ccc(OCC)cc1 254704494 ASUXVJNCCUDUFT-ZOAXWHFDSA-N 440.521 4.563 30 10 IJEE COc1cc(C)cc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C 427265119 AILOLDSDVCXNRF-UHFFFAOYSA-N 443.503 4.648 30 10 IJEE N#Cc1ccc(NC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)cc1Cl 437537030 OFJWBFHVAJDCBT-KRWDZBQOSA-N 429.908 4.817 30 10 IJEE COc1cccc([C@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526521881 OFBSVSSFZXNDSL-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])o2)cc1 526605278 VERHBXDCECTZNU-JOCHJYFZSA-N 445.431 4.905 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC(C)=O)cc1 526823083 QMDWTCYMFSQFPA-MYYYXRDXSA-N 433.537 4.592 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1OC 732969074 BXSUNIVZBPLNJM-NRFANRHFSA-N 446.494 4.867 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 789455699 CZJFVZGAUGVPOS-XLIONFOSSA-N 431.577 4.684 30 10 IJEE C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 790693988 FTZIFJSTGIAIIS-PXNSSMCTSA-N 441.503 4.727 30 10 IJEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 792748513 QBPVKNSISKENCA-UGKGYDQZSA-N 444.560 4.547 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)/C=C/c1ccccc1Br 796123287 VJZBAQXURUARSF-MDZDMXLPSA-N 438.391 4.605 30 10 IJEE Cn1cc(C=NNc2ccc(C#N)cc2C(F)(F)F)c(-c2ccc3c(c2)OCCCO3)n1 799493022 VQUIROCFXVTSFZ-UHFFFAOYSA-N 441.413 4.585 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 803523807 KVHWNDVFNGRZGX-FQEVSTJZSA-N 448.592 4.886 30 10 IJEE C=CCN(C(=O)c1ccc2cc(OC)c(OC)cc2c1)[C@@H](Cc1ccccc1)C(=O)OCC 1128112936 YINVJXJKLXOUOL-QHCPKHFHSA-N 447.531 4.660 30 10 IJEE C#CC[C@]1(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)CCCN1C(=O)OC(C)(C)C 1128135800 XUZFOZLWJVPVGN-RUZDIDTESA-N 446.538 4.686 30 10 IJEE C#C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Br)cc1 1129730903 NCSXWUNBNVXECX-FQEVSTJZSA-N 435.277 4.597 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccc(F)cc1)CC(C)C 1136156086 LRYNMRJSJPKXKJ-IBGZPJMESA-N 426.960 4.889 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 1136302746 WJQZKGSXXNEBII-MRXNPFEDSA-N 439.940 4.847 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nc2cc(Cl)ccc2c1=O 1187995856 XCRLFGHPDSLYRP-GOSISDBHSA-N 449.359 4.766 30 10 IJEE CCOc1cccc(CNC(=O)CN(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 1191852647 BTVYQWYRHCZUCU-UHFFFAOYSA-N 431.511 4.728 30 10 IJEE CN(Cc1cscc1Br)C(=O)Nc1ccc(C#N)c(Br)c1 1205019596 DCGIOMAWUGTCAU-UHFFFAOYSA-N 429.137 4.809 30 10 IJEE COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C#N 1208405600 DACUDERLTXSISI-QGZVFWFLSA-N 433.295 4.509 30 10 IJEE C#C[C@H](NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccc(Cl)cc1F 1210799040 JMDVHJOMCVGKBX-FQEVSTJZSA-N 427.838 4.979 30 10 IJEE CC1CCN(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 1215106264 HKHZOFGIIUBFQD-UHFFFAOYSA-N 426.948 4.644 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 1215210509 BUJXJXVSFLKHEG-QGZVFWFLSA-N 436.512 4.824 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1228086422 HOTWJEWYIIKTIQ-FGZHOGPDSA-N 440.588 4.531 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1264280658 ANQVPJJTFISTNS-UHFFFAOYSA-N 427.434 4.552 30 10 IJEE COc1ccccc1-c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)s1 1270685259 CVVOLLJNBGXARM-UHFFFAOYSA-N 437.952 4.911 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccccc1OC1CCCC1 1286431032 QVGQCTDEQIBKID-UHFFFAOYSA-N 444.604 4.763 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCSC1 1286570388 XMORPHUTGHWROM-OAHLLOKOSA-N 438.439 4.592 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](c2ccco2)C1 1286600579 ORGUHXCGHDVJEQ-MOPGFXCFSA-N 440.519 4.737 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2csc(C)n2)CC1 1286659505 RYEDLVMBRUXCCA-UHFFFAOYSA-N 428.005 4.932 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCO1 1286703772 HHEJGLAQVLLJNV-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC1(C)CCOCC1)C1CC1 1286734911 YXSROLLBYCNGGO-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1c(C)noc1C 1286741159 HLBUEJWGPQSGNC-HTAPYJJXSA-N 446.555 4.602 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1286779857 YNDWUZWGEVGNOZ-YLJYHZDGSA-N 430.618 4.750 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2nc3ccccc3n2CC)CCCN1C(=O)OC(C)(C)C 1293003642 FZMZDTFTONSIER-XDHUDOTRSA-N 426.561 4.579 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 1293297290 MMLWXEBJMJQPJY-UHFFFAOYSA-N 431.521 4.825 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)cc1F 1300282961 KLGYOJNCKUNBKH-MRXNPFEDSA-N 438.572 4.929 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cscn1 1300347296 BSYXQMBRQVPBHI-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCN(C(C)(C)C)CC1 1300394274 OWFQPYSAWMXGDI-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCN(C)C1CCCCC1 1300564968 JKMBDDQMLXUIGB-UHFFFAOYSA-N 438.019 4.716 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cl)=C(Cl)C1 1300743723 YTIIXYHJRSQNSF-UHFFFAOYSA-N 427.788 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC[C@H](OCC)C(C)C 1300816850 WXUCRLCNOZGWJB-JYFHCDHNSA-N 438.616 4.917 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCc2[nH]c3ccccc3c2CC1 1300850365 ZCGLUVAUHQVAES-UHFFFAOYSA-N 442.405 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1 1300883844 FTOIOTBEYGAYOO-GPXNEJASSA-N 438.616 4.816 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2oc(CC)nc2C)CC1 1301127404 LYJMONATUOUVJR-UHFFFAOYSA-N 425.964 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1301158602 KAGDMWJGWDQYQK-MRXNPFEDSA-N 448.036 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCOC2(CCCC2)C1 1301159067 UOLYQEONEQRDPN-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1Cc2ccccc2[C@H]1C 1301159804 GOMMIXZYGRNPAL-QGZVFWFLSA-N 435.597 4.953 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](COC)C1 1301240558 BXYBDQWDIMWJFW-MOPGFXCFSA-N 444.645 4.587 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(-n2cccn2)cc1 1301397442 VTZSKTVRRIJOSV-DHIUTWEWSA-N 446.599 4.609 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)c1c(C)noc1C 1301417322 QQHYNAHUIISYQM-OAHLLOKOSA-N 429.952 4.646 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1CSC 1301531645 SAZXTSNNRKZDBU-HXUWFJFHSA-N 440.638 4.875 30 10 IJEE C=CCn1c(SCC(=O)NCCC(C)(C)C)nc2sc3c(c2c1=O)CCCCC3 1307240663 VBKBBKXWZZHYCL-UHFFFAOYSA-N 433.643 4.557 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1310118921 UWRGAQJVDIFLJV-OAHLLOKOSA-N 436.434 4.640 30 10 IJEE CC#CCCCC(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1349105108 LUPVTOKOYGEKPL-JPYJTQIMSA-N 447.984 4.827 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)CCCCc1ccc(I)cc1 1352063451 PQPLTGVTACBLIK-UHFFFAOYSA-N 449.307 4.805 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(C)c(Br)c2)nnc1-c1ccco1 1352370108 PTPLZIFHZVJCMM-UHFFFAOYSA-N 447.358 4.916 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4cccnn34)s2)c(C(F)(F)F)c1 1353592624 HMTAPXDZDZZFSO-UHFFFAOYSA-N 427.411 4.524 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)c1 1358007050 KIBJRYZCFFYJML-UHFFFAOYSA-N 441.483 4.850 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)cc1 1358987371 DIKJMVAWCYZSGL-UHFFFAOYSA-N 444.604 4.795 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(CCC)CCC2)CC1 1359031414 AQCRWVRPUGAIRN-UHFFFAOYSA-N 433.644 4.968 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1359049527 RFIMUVGORDVMDE-XLIONFOSSA-N 428.602 4.517 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC(C)C 1359095711 QWIKLHBAHPPPQB-QFBILLFUSA-N 433.394 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359102423 BBFZXXDICFGTSL-ONTIZHBOSA-N 448.533 4.823 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(F)(F)F 1359128555 XORXBZCJXWJKKX-CQSZACIVSA-N 428.524 4.723 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H](C)SC)CC1 1359173455 GUWZGMDWUXSDII-MSOLQXFVSA-N 430.618 4.971 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H]1C 1359262328 PKQBQNZKZPLMNT-YDHSSHFGSA-N 430.618 4.621 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1359265269 CAZJUDOWKGFURP-XZOQPEGZSA-N 441.664 4.989 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC2(CCCC2)C1)C(C)C 1359265449 GDIIFLPKNHENJQ-QHCPKHFHSA-N 436.648 4.753 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccc(Cl)cc1F 1436652017 FLLPVZOUISOFPZ-HXUWFJFHSA-N 438.915 4.746 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)Cc3nc(C(F)(F)F)cs3)cc2F)c1 1443045714 GHRMEQWVVDKECD-UHFFFAOYSA-N 435.402 4.933 30 10 IJEE CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1cc(Br)c(C#N)cc1F 1458283644 DVFQQXURSCAURR-JWTNVVGKSA-N 442.332 4.732 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)C(F)(F)F)cc1 1460044555 YPYZFWLKEMHHNL-KNQAVFIVSA-N 429.438 4.875 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1 1463489934 BNRPTWUALJWZQR-INIZCTEOSA-N 447.944 4.830 30 10 IJEE C=CC1(CC(=O)NC2(c3ccc(Br)cc3)CCC2)CN(C(=O)OC(C)(C)C)C1 1464611735 NIZCHZZYSWLKCG-UHFFFAOYSA-N 449.389 4.758 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 1465068396 PBFHJOOGULRFHG-GOSISDBHSA-N 429.446 4.903 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 1465676189 DEQVZJRFECVIGF-SUMWQHHRSA-N 425.356 4.746 30 10 IJEE Cc1cccc(N2CCN(CCC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2)c1 1467348346 HWCBXEPWRKGOER-UHFFFAOYSA-N 440.547 4.810 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 1476223863 JMFZYOYJCMFOID-UHFFFAOYSA-N 431.439 4.646 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc1C#N 1476313457 IFVOPBMNOAHZLO-UHFFFAOYSA-N 428.439 4.816 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)C1 1477140684 WPANHEVIPQOEDX-LJQANCHMSA-N 448.405 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 1477434390 MUCJETILUSSLPV-AHWVRZQESA-N 433.596 4.730 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1csc(Br)c1 1507580452 FPBXQRCGBDVZCY-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCN1CCCC[C@H]1C 1507606690 UOIFJCWERLRNQU-HXUWFJFHSA-N 439.673 5.000 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1cc(C)nc(N2CCCC2)c1 1507701093 YFIZXUVDDLHISN-UHFFFAOYSA-N 446.574 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1ccc(OC)nc1 1507814769 DYJXOPYBYRFHKO-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)c2)CC1 1507882813 WNDOPMXBPOLSOC-OAQYLSRUSA-N 434.588 4.558 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1507956454 NULMQUZEDRJLDC-GOSISDBHSA-N 442.457 4.510 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCCC(F)(F)C1 1507971857 WHKIZWVRDMZHRZ-AWEZNQCLSA-N 442.352 4.884 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1csc(-c2ccco2)n1 1507972716 YNDLINBANSAWDC-UHFFFAOYSA-N 448.552 4.534 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1508000855 FJKRLKBRKXUQTD-FCHUYYIVSA-N 432.616 4.597 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1508038706 BUJIXGWPOPVEGB-SJORKVTESA-N 438.494 4.886 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccoc2)C1 1508124135 AYOPIKAJYSMJQA-GOSISDBHSA-N 430.961 4.646 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[S@](=O)C(C)(C)C 1509947490 AMQOOGCHZQIITD-DFYVNMARSA-N 447.674 4.561 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c(OC)c1 1516956612 ZPLSRSHEXQWFJQ-UHFFFAOYSA-N 434.517 4.989 30 10 IJEE C=C[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1ccccc1 1520561675 LLLULAQAQONWNL-INIZCTEOSA-N 433.430 4.622 30 10 IJEE C#C[C@H](NC(=O)c1cnc(-c2cc(Br)ccc2OC)s1)c1ccc(F)cc1 1525025755 OWUUJXQYAMQKTN-INIZCTEOSA-N 445.313 4.825 30 10 IJEE C#Cc1ccc(CNC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1 1526409013 NUUHUZNZYAIEMZ-UHFFFAOYSA-N 437.343 4.821 30 10 IJEE C#C[C@H](NC(=O)c1c(Cl)cccc1Br)c1ccc(Br)cc1 1528087806 GPLKHSVZGSQIMQ-AWEZNQCLSA-N 427.523 4.969 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1529074548 LDBNMCUTNXGHRC-UHFFFAOYSA-N 449.572 4.942 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C\SCc2ccco2)c(C(=O)OCC)c1C 1532545500 RRJXZLSFCAWGHJ-FLIBITNWSA-N 435.523 4.555 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C 1535744645 QSZXSDSWJFAEDF-ZRBLBEILSA-N 437.584 4.889 30 10 IJEE C=CC1(CC(=O)N[C@H](C(=O)OCC)c2ccc(OC)c(Br)c2)CCCCC1 1536926685 LQIDJTMEZMQXAL-IBGZPJMESA-N 438.362 4.705 30 10 IJEE C=CCCC[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)n1)c1ccccc1 1537033051 XZEVJTQECMYYBB-IBGZPJMESA-N 425.330 4.857 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](OC1CCCC1)C(F)(F)F 1538535601 CYOIVEHMSZAEQZ-INIZCTEOSA-N 425.369 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1c(CC)noc1C 1539030842 UMIYSJIGAQADJP-SFHVURJKSA-N 435.572 4.654 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1539504214 BMTFTNUUDXDSGZ-UYAOXDASSA-N 442.629 4.732 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N(C)Cc1csc(Br)c1 1539506974 PAKBATSCAVAOMH-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCC[C@H]1C 1539654870 GUJPSGHGRNMFSB-IERDGZPVSA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1539874310 LNDLFVGNFLSRSC-UWJYYQICSA-N 428.552 4.775 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1539946405 AUDSMUUYFKTQIZ-OAQYLSRUSA-N 449.624 4.767 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1539960477 BLWOZAHHXFFEAW-MOPGFXCFSA-N 434.588 4.563 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCNC(=O)C(C)C 1540051753 MOKYEPGQTYMOCL-UHFFFAOYSA-N 431.993 4.598 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)C(F)(F)F)cc1 1540108173 YSWYYHSVVLZZKD-NRFANRHFSA-N 428.385 4.942 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(C)C 1540180199 JKTKPBRHZJSFMK-ZCYQVOJMSA-N 445.611 4.945 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1Cc1ccnc(C(F)(F)F)c1 1540180634 RSOOALWIHRSHBS-UHFFFAOYSA-N 427.474 4.853 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1540855497 XCSMNTIPEYMVFA-UHFFFAOYSA-N 436.991 4.804 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC2CCOCC2)C1 1540886342 APNLDGIBPCQBRT-IBGZPJMESA-N 448.970 4.726 30 10 IJEE Cc1ccoc1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1542119432 CQRKZKKSZZDXKC-UHFFFAOYSA-N 427.961 4.914 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1 1543708417 HNZGZOMIJMZTCJ-UHFFFAOYSA-N 433.323 4.918 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1546879999 GDWVCJCNQBRYIT-MSOLQXFVSA-N 440.592 4.602 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1 1562228346 FIAPXWUVMJGFCI-UHFFFAOYSA-N 427.504 4.938 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cccc(C)c2Br)cc(OC)c1OC 1563814404 DGSREOFCUNOEJD-UHFFFAOYSA-N 433.346 4.503 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@H](CCC)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1570816588 BVGAKALUBPHYJS-FNZWTVRRSA-N 444.575 4.908 30 10 IJEE C#CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)C[C@@H](C)C2 1585813979 WYQORUIFBCGNLE-AZZGVMCLSA-N 435.527 4.965 30 10 IJEE C#CCN(C(=O)c1cc2c(C)ccc(F)c2[nH]1)[C@@H]1CCOc2ccc(Br)cc21 1586216430 HKQFFICINTUPCU-LJQANCHMSA-N 441.300 4.977 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1587777743 PXXOEZWYXKGMOI-JJCDCTGGSA-N 440.638 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCc1ccc(OC)cc1 1589176938 CSBKEIVKCOKJAM-XMMPIXPASA-N 435.959 4.627 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1cc(Cl)ccn1 1589515349 MROHTOXVBIARBL-XMSQKQJNSA-N 437.975 4.920 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1593757666 LWPUSFGRJBGDBE-APWZRJJASA-N 441.428 4.543 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)N(C)C2CC2)CC1 1594218321 CTFFQWFEQRSWKC-INIZCTEOSA-N 444.421 4.593 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC[C@H]2CCOC2)CC1 1594218706 PQDPGBUSGSXABQ-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@@H](C)C1 1594628158 ZVWWNFLSBGAWTC-OALUTQOASA-N 431.625 4.841 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccco1 1594668520 HSPYOHPEQDETJB-LJQANCHMSA-N 439.947 4.762 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1595010110 QZOMQAIFNNUTMV-HOIFWPIMSA-N 433.021 4.787 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC(F)(F)C1 1595161840 NGIBPXKCMPLVJP-SFHVURJKSA-N 429.540 4.953 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccccc1 1603510300 JKKNLFKKVFGPKJ-HJWYETAXSA-N 437.348 4.586 30 10 IJEE CCOC(=O)Nc1ccc(NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1C#N 1620963094 HTQVNWGGXOLDNJ-IBGZPJMESA-N 429.904 4.950 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C)cc(I)c1)c1ccc(Cl)cc1F 1624546652 SQSHTSMQKZGKEV-INIZCTEOSA-N 442.659 4.888 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(F)F 1637657306 SWPGSWVIAYZHMV-VBKZILBWSA-N 448.897 4.806 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1 1640487881 POHCMWICBRPLKV-UHFFFAOYSA-N 440.588 4.750 30 10 IJEE C=CCn1c(SC[C@@H](COC)c2ccc(Br)cc2)nnc1-c1ccncc1 1640700394 VWWWIRBWLNZXBB-QGZVFWFLSA-N 445.386 4.811 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 1645647233 MTJJPHWQXSLPKX-AEFFLSMTSA-N 433.618 4.587 30 10 IJEE C[C@H]1CN(c2ccncc2)CCN1C(=O)c1ccccc1SCc1ccc(C#N)cc1 1645774797 GWYOWFZCDXFQFV-IBGZPJMESA-N 428.561 4.596 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 1652403640 PZNMYDWEMJNMFG-UHFFFAOYSA-N 438.575 4.897 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2CCC[C@H](C)C2)C(C)C)nc2sc3c(c2c1=O)CCC3 1652447643 PYPMZJFVPARIHN-HNAYVOBHSA-N 445.654 4.508 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3cccc(F)c3)C2=O)nnc1-c1cccc(OC)c1 1652701383 MGOLBGDGRQDYMT-FQEVSTJZSA-N 438.528 4.567 30 10 IJEE CC(C)[C@H](CO)N(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccccc1 1653482167 HZMQWUNRRHTLGA-GCJKJVERSA-N 439.625 4.592 30 10 IJEE C=CCCN(Cc1noc(Cc2ccc(Br)cc2)n1)OCc1ccccc1 1658321520 BKPAFPVABJQXSF-UHFFFAOYSA-N 428.330 4.933 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2cccc3c2OCCO3)cc1OCC 1658662287 QCAZFIVGIHXPAN-UHFFFAOYSA-N 448.357 4.516 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)c1ccc(Cl)cc1 1666052497 NMPDWEJDMBWBGJ-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1 1668379098 MJAGGKFRVSWLDX-JOCHJYFZSA-N 432.568 4.819 30 10 IJEE C=CCCc1ccccc1NC(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 1671186865 IICNVFKKPUHDHV-UHFFFAOYSA-N 435.343 4.964 30 10 IJEE C=CCSCCNC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1680018115 ZAUNSKPLSMQELY-JOCHJYFZSA-N 430.017 4.676 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCC1)c1ccc(F)c(F)c1 1686173199 DJAJMHIZBSPFHF-NQIIRXRSSA-N 435.515 4.815 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173365 HABBBTWQKFBZEC-BVZALQNUSA-N 435.515 4.671 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br 1686661419 ATGFKXLBPYWFOE-LJQANCHMSA-N 436.394 4.548 30 10 IJEE C#CCN(C(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2)[C@@H]1CCCc2ccccc21 1687274280 IAUJEUGZIJTUPJ-SANWMBSTSA-N 437.584 4.641 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1689904474 WWAMETIUIUXDKC-FQEVSTJZSA-N 442.991 4.567 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690026678 IIHNKLHBOQTHRN-PMACEKPBSA-N 444.501 4.840 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1CC 1690095550 UNYLTAVHQXVKSX-HKUYNNGSSA-N 445.405 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1nnc(C(C)(C)C)s1 1690195842 QDHHJWZUQYHRQB-JOCHJYFZSA-N 441.004 4.788 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cccc(Cn2ccnc2)c1 1690268177 AAJFZWGNHSSRBQ-UHFFFAOYSA-N 432.597 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1690419789 BJQQABQBJDFQFW-HKUYNNGSSA-N 440.588 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1690426675 WYHGCLBXSSANBX-UHFFFAOYSA-N 448.615 4.886 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690455325 GZISPDRHPCTFHR-IERDGZPVSA-N 430.980 4.967 30 10 IJEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1ccsc1 1690660570 KMJDNPFWUGSQRR-RTWAWAEBSA-N 435.597 4.525 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1CCC(OC)CC1 1705477443 OGOYKDYVDJQHNZ-LNLGZHKDSA-N 428.552 4.610 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1705521077 PPYMEZIEJHCPOU-QHCPKHFHSA-N 436.600 4.530 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705528798 SGSAQQXMOOUKJV-JOCHJYFZSA-N 446.599 4.511 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC12CCC(CC1)C2 1705623910 JDWNAQXVCMJMSX-UHFFFAOYSA-N 433.383 4.918 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CC)C1 1705758639 BMSUXDBLDNQPNL-CQSZACIVSA-N 431.751 4.532 30 10 IJEE C=C(Cl)Cn1c(N2CCCN(C(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1705761064 ZBVYEZSYORFADP-UHFFFAOYSA-N 428.024 4.811 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1705787432 SEJADPIXKOIKQF-HXUWFJFHSA-N 448.615 4.884 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccccc1 1705795984 VYAYSCSNFRFWQE-NZQKXSOJSA-N 445.615 4.577 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC[C@H](OC)C(F)(F)F 1705862098 YSPQLCYOOQLKHA-MOPGFXCFSA-N 438.494 4.680 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@](C)(CC)O1 1705863178 KINSOYZUKDANQN-BVAGGSTKSA-N 448.615 4.680 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCC[C@H](COC)C2)cc1 1705911817 QVGSHCMRISVNLE-NRFANRHFSA-N 426.605 4.733 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC[C@@H]1CCO[C@@H](C)C1 1722422772 QJQKHLVLNRWDKQ-RBBKRZOGSA-N 438.591 4.995 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)=C(Br)C1 1722456468 UKQKCWADWUMXNH-UHFFFAOYSA-N 445.430 4.753 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(C)s1 1722466027 XCILRSRGGWBBIG-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C(C)(C)C)no1 1722505155 MYQKGHPWRHLENB-UHFFFAOYSA-N 447.381 4.772 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(Cl)s2)CC1 1722570058 TZMYEUNCIWNDPW-UHFFFAOYSA-N 430.961 4.785 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1722577789 QNEYELVZVFGTMA-VXKWHMMOSA-N 444.023 4.878 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1C[C@]1(C)OCCc2sccc21 1722598585 KZXWTBBRQSYRFE-CYFREDJKSA-N 444.645 4.904 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2ccnn2C)CC1 1722605203 YVCYWFHCBDCOOC-UHFFFAOYSA-N 440.542 4.621 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1722659232 QQKKQLPNESIBAM-UHFFFAOYSA-N 448.889 4.838 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Cc2ccc(OC)cc2)C1 1722719108 QPJYQEVQUWDZCN-DENIHFKCSA-N 426.605 4.535 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(F)c(Cl)c2)C1 1722721510 TXUHFBPLJRRTIT-QGZVFWFLSA-N 432.952 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cn(CCCC)nc1C 1740539170 RTMPIEAIWUGIMI-IBGZPJMESA-N 441.583 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(C)CCCS1 1740557095 KSLRXBYAIJWNPE-XOBRGWDASA-N 439.412 4.908 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C1CCC1 1740578319 HEIRFXRZDZSYIY-RTWAWAEBSA-N 441.620 4.923 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](OC)C(C)(C)C1 1740584365 GAPDUGKATGYXAU-QHCPKHFHSA-N 431.584 4.627 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@@](C)(CC)O1 1740677181 QZOMNOZRWROPRX-ATIYNZHBSA-N 447.558 4.775 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(CC)Cc1cccs1 1740720092 WTVNOCABIHZEBY-UHFFFAOYSA-N 432.565 4.602 30 10 IJEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H](C)c1ccccc1C 1740736125 FPYRRKIZVREYKO-INIZCTEOSA-N 448.409 4.611 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC=C(c2ccccc2)C1 1740742826 CNXBIMHWMJABPN-UHFFFAOYSA-N 436.357 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc([C@H](C)O)cc1 1740769158 RWGLFIHSSKUCIQ-HNNXBMFYSA-N 444.377 4.540 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C(C)C)C1 1740813437 GVCNLJANEHBJAH-NRFANRHFSA-N 432.996 4.903 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(Br)cs2)CC1 1740839927 QWUSTWLOMOXRIU-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740864727 DLZIPGWKGUMDCQ-QFIPXVFZSA-N 449.603 4.572 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1740905958 AXPWDPQTTAAUTL-QGZVFWFLSA-N 429.012 4.659 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nccs1 1740922471 IQLNGFYZDABRAP-UHFFFAOYSA-N 438.538 4.612 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740944687 WDAJHMQPKFIASD-SJORKVTESA-N 431.378 4.537 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740998346 KZCZJPZGBGIGGB-QHCPKHFHSA-N 430.618 4.514 30 10 IJEE CC(C)SCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1741770464 DCEQTCBLZAVTPM-OAQYLSRUSA-N 434.009 4.782 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCC[C@H]1CC 1748687263 GMYMYVJPHSJOHE-NHCUHLMSSA-N 425.646 4.601 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1N(C)CCCC1(C)C 1748915405 YBXPNUSVZAUIJU-XMSQKQJNSA-N 439.673 4.711 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccoc1 1749046881 IXVOAFBVBUVYRT-UHFFFAOYSA-N 438.597 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC(F)(F)C1 1749078167 GLGZSKWEHSCISP-AUSIDOKSSA-N 428.527 4.901 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1749095727 AMDUOBJVYWRMRU-IEBWSBKVSA-N 438.373 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1C[C@H](CC)NC(=O)OC(C)(C)C 1749162292 MBPJYBVIMGTPMF-NRFANRHFSA-N 441.620 4.883 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1749276105 DJLUHIQVZURYJJ-UHFFFAOYSA-N 436.972 4.552 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1749510130 AEOZOXLHWRLBFU-UUOWRZLLSA-N 438.576 4.519 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749615926 FFWAMMCERBKOBF-ROUUACIJSA-N 429.996 4.568 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1749755034 CPANVGQHICDYKR-UHFFFAOYSA-N 441.645 4.641 30 10 IJEE CC(C)C1(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1750596791 GTPNGHSOAPEEFS-GOSISDBHSA-N 438.370 4.647 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCOCC1 1760162603 BMJWZJCUAXYWAB-GOSISDBHSA-N 430.980 4.574 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCOC[C@@H]1C 1760487170 LEHZOFFGGQABLX-AZUAARDMSA-N 440.588 4.935 30 10 IJEE C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccc(Cl)cc1 1761398422 DLJLZKIGWBBERO-GAJHUEQPSA-N 438.963 4.535 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)Cc3c(F)cccc3F)C2)c1C#N 1860666736 VWLDAOBXBXXCKM-CQSZACIVSA-N 445.535 4.615 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)NCCCCCC(=O)Nc1ccccc1C#N 1860856699 YVHHIPLOAMBTCP-UHFFFAOYSA-N 434.323 4.803 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc2c(c1)CCCN2C 1862421632 MBNDLGSGISRWOK-JOCHJYFZSA-N 440.490 4.582 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(O)c2)cc1 1862506778 AWHXRUKZTOHHKC-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@H]2c2ccccc2C)cc1 1862532616 IDNVYJWWCOSIRC-DEOSSOPVSA-N 434.580 4.868 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862539816 YRCQAKSYTIPFLW-FQEVSTJZSA-N 447.453 4.883 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862552952 OHVBNEWPKGCAMW-FQEVSTJZSA-N 440.883 4.725 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1862583303 XQYJQGPKSMETQO-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 1862595818 FGSTZUFAMCEHQT-DEOSSOPVSA-N 442.515 4.545 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862598165 ZNBSPGLPKSHUGZ-QFIPXVFZSA-N 433.460 4.553 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 1862688095 SXWVTPWQDJUCPR-XMMPIXPASA-N 443.499 4.612 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(F)cc2)cc1 1862703316 UJTMTUSVHGNNOH-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(F)c2)cc1 1862736269 WRNBONGBVACMAS-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863074765 FLECSCNFGMFVNV-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CSCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866999480 GMTANUHOYSRCBR-SFTDATJTSA-N 441.984 4.582 30 10 IJEE CC(C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867122932 OUVRHTKCBUGICW-NRFANRHFSA-N 447.485 4.892 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1871007370 ZLIHLLZIRWTPHX-UHFFFAOYSA-N 442.437 4.728 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCc3nc5ccccc5[nH]3)CO4)C2=O)o1 1871347211 HIISWTFZPLDUBO-QRVIBDJDSA-N 441.487 4.865 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCCC 1871841860 PFIHDIRMYWIOAE-IBGZPJMESA-N 430.570 4.814 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871987679 JLBVGUQCBZVKJY-MGPUTAFESA-N 438.952 4.709 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871996939 IGHGQNBZQLILLZ-NZQKXSOJSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccccc1 1872080400 YAFOYHNWSVZDCE-HSZRJFAPSA-N 428.598 4.869 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872225536 NZIZRJBKVIFWQE-KRWDZBQOSA-N 426.991 4.632 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)C1CC1 1872290858 SSTYJPMMTINNNN-DEOSSOPVSA-N 440.609 4.755 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c1 1872780634 KIRYDDSOFGLFCQ-LJQANCHMSA-N 436.533 4.872 30 10 IJEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874229306 CSCOFPFGYRDKDW-FOKLQQMPSA-N 425.945 4.915 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCO)n2/N=C/c2ccc(C(C)C)cc2)c1C 1874256598 JTGPQWSQIHOMLE-AFUMVMLFSA-N 438.597 4.872 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)cc1 1874405203 LQLNJHCWCILETG-BUVRLJJBSA-N 448.036 4.897 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(O)cc2)cc1 1874421364 IXBBXSVIUIOPKV-CIAFOILYSA-N 437.506 4.795 30 10 IJEE CCCNC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874455414 RAIOCENGLOOIDC-FOKLQQMPSA-N 440.400 4.743 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2)c(C)c1 1874492143 AYAHNWQPPYSBHB-DHRITJCHSA-N 439.560 4.846 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(F)cc1)c1ccccc1 1874497779 ZYRTZKATJYIKLE-MMDHUZEPSA-N 437.544 4.536 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874525407 LOMQGXKORMEOTM-YDZHTSKRSA-N 426.542 4.692 30 10 IJEE COc1ccc(Cc2nnc(S)n2/N=C/c2ccccc2OCc2ccc(C)cc2)cc1 1874562734 NXHFMRZGRTWHKQ-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)c1 1874605830 IDJUXMNISJHKPP-WUXMJOGZSA-N 435.451 4.757 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)cc2)c(OCC)c1 1874631959 CYCPITCEDDUSKK-LFIBNONCSA-N 425.525 4.627 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2OC)cc1 1875153766 WYXYRYFGBWOCFX-NYYWCZLTSA-N 436.435 4.967 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 1891479695 CCKCQYPLYARNOY-UHFFFAOYSA-N 440.528 4.914 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2sc(-c3ccccc3)nc2C)c1 1891488428 YNWXMFMPZWKMTG-UHFFFAOYSA-N 433.577 4.777 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(Cl)cc(Br)c2)c1 1891733574 RBZQRWUYSBAZID-UHFFFAOYSA-N 449.776 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 1922097556 AYLYXFRRYOVVDX-ZCNNSNEGSA-N 442.522 4.783 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(CCCO2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 1924224476 XDQSOKDXQXZAMW-BJKOFHAPSA-N 449.592 4.618 30 10 IJEE Cc1cc(C)c(C#N)c(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)n1 1977572229 IHVVCJVYPRANHL-UHFFFAOYSA-N 442.519 4.842 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C[C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 2000206049 SIUIHJKBJCBUOD-QGZVFWFLSA-N 436.557 4.853 30 10 IJEE CCN[C@H](CC#CC1CCCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2032503285 QCXXLUAXXQOYTI-RPBOFIJWSA-N 441.660 4.964 30 10 IJEE C#CCC1(C(=O)Nc2c(Br)cc(Br)cc2Br)CC1 2050260011 KJCXXJBSZXNGOH-UHFFFAOYSA-N 435.941 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2073116024 RFKOMJOHPAAROU-RJGXRXQPSA-N 446.632 4.524 30 10 IJEE CC(=O)Oc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1 2080106037 SDRBRXZSCOARBC-OAHLLOKOSA-N 444.276 4.952 30 10 IJEE Cc1cc(C#N)c(Nc2cc(I)ccc2Br)nc1C 2099243388 WQLCGKVZWCCFDP-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1ccc(Br)cc1C#N 2105984219 WQOFYUFFWGFIRI-QGZVFWFLSA-N 430.293 4.767 30 10 IJEE C[C@H]1CN(c2cc(Br)cc(F)c2C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2118200447 FKFJGSQXAMWZGF-STQMWFEESA-N 426.330 4.542 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)[C@@H](C)c2cscc2Br)C1 2130044724 PVUCTWRURTWOKU-ZDUSSCGKSA-N 443.407 4.891 30 10 IJEE CC[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2174813933 BLUFOVHRQLYJNW-HIFRSBDPSA-N 440.357 4.980 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CCCc3ccc(Br)cc32)C1 2183006316 KLTKPYRGOGCHIQ-UHFFFAOYSA-N 435.362 4.589 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCCNCCC1(F)F 2196990137 RZTDZIFOLMECGD-SFHVURJKSA-N 444.320 4.862 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccccc1Nc1ncc(Br)cc1C#N 2207175442 ILWPZVNENVVYRL-UHFFFAOYSA-N 431.334 4.917 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F)NCC 2212102149 BBGIVYBFDYBBLN-CVDCTZTESA-N 426.548 4.924 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2258344353 GKSKFOXOSDRSFV-XHNJZIHCSA-N 443.544 4.586 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 2261824618 WCQMRJYOLCXVJV-DFBJGRDBSA-N 447.572 4.657 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2261828417 LDWRZDKLSBZFAM-CPJSRVTESA-N 447.572 4.704 30 10 IJEE Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c(B2OC(C)(C)C(C)(C)O2)c1 2267229480 ZFJFSQARXSYUAY-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE C=C(CN(C)C(=O)[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 2268639382 OHROCXMKLXUXNK-KRWDZBQOSA-N 444.381 4.783 30 10 IJEE C#CC1(Oc2ccnc3ccc(Br)cc23)CCN(C(=O)OC(C)(C)C)CC1 2285322416 SMYUZWDHZUKKJM-UHFFFAOYSA-N 431.330 4.779 30 10 IJEE C=CC[C@]1(COc2ccc(Br)cc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C1 2287761163 UCFCXSFTJZNIHO-IBGZPJMESA-N 441.322 4.939 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2296272244 JWWBORLISXMLHJ-OALUTQOASA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2cccc(Br)c2)CC(C2CCC2)C1 2296284748 UKPDPZOBEARDMV-IMYXXEESSA-N 433.390 4.602 30 10 IJEE NS(=O)(=O)c1ccc(CCN=Cc2ccc(-c3ccc(SC(F)F)cc3)o2)cc1 2296978417 UGONUCQFJDRXBF-UHFFFAOYSA-N 436.505 4.570 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OCC(C)C)cc1 2322437706 HXOHEDYVBOKMLR-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OCC(=O)N(CC)CC 2324706465 MGOCRVHXHLLIGY-UHFFFAOYSA-N 445.943 4.891 30 10 IJEE CC(C)COC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O 2325063337 WYTGGSLXTMZYOK-UHFFFAOYSA-N 431.282 4.643 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325704892 RBKMEBSHDKLGJE-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2cccc(C(F)(F)F)c2)o1 2326835014 VDYFVNAIDMCMOM-UHFFFAOYSA-N 438.431 4.550 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2cccnc2)cc1 2328356123 OSMGDRFVBHRIRZ-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)c(O)c1 2328790099 QAQLOBSNTRTHIO-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1 2330133673 FQSNLRFNSISXCZ-KRWDZBQOSA-N 440.544 4.743 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2330636297 RQVXVMNRDKUXIE-IBGZPJMESA-N 445.855 4.627 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2OC)cc(OC)c1OC(=O)c1ccncc1 2331080189 MRGDRGIDELRZJW-UHFFFAOYSA-N 429.472 4.943 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1F 2331320257 OTSFVMMSBZEBNZ-UHFFFAOYSA-N 429.496 4.512 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccccc1OC(C)C 2331348558 HSZWIMDRZICDKB-UHFFFAOYSA-N 432.590 4.581 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(O)c2)c1 2331362256 OMDQURCVDZEEER-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE COc1cc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cc(OC)c1OC 2331932712 PERBLBGQAUZFMQ-UHFFFAOYSA-N 442.475 4.762 30 10 IJEE CC[C@H](NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338520050 VBHZFRSHGAGSFG-RDGATRHJSA-N 434.433 4.549 30 10 IJEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364741563 OHACJEXSFYQMPV-DEOSSOPVSA-N 445.416 4.570 30 10 IJEE C=CCNC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(OCC)cc1 15850185 SHLZPPIHCUJLQY-HNNXBMFYSA-N 442.972 4.769 30 10 IJEE CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1 21241177 OWWJPCXNYRJOKC-PZJWPPBQSA-N 449.547 4.885 30 10 IJEE CC(C)COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 21258672 LMCVFLYQZZOVCV-GHTZIAJQSA-N 434.492 4.634 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccc(F)cc1 35444708 AQTNJCQEGSIXAC-RBNQUJQMSA-N 436.527 4.536 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 102541479 WFAJPTPEMBAGEQ-AGGMBTAESA-N 426.582 4.635 30 10 IJEE COc1cc([C@@H]2/C(=C(O)\C=C/c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)ccc1O 103090073 BBBBPCXWSLZGFE-BTIFWPLCSA-N 441.483 4.892 30 10 IJEE N#Cc1cc(Br)ccc1-n1c(S)nc2cc(F)c(Br)cc21 158316018 DZYJCWPBDZIAGN-UHFFFAOYSA-N 427.096 4.850 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccc(C)c2)cc1 169968826 IOIHDMIETJVOLU-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(C)c2)cc1 169968832 REMURIPCMBFLMI-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 170092535 WJVPQYVHYPCHRM-GOSISDBHSA-N 442.786 4.763 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2sccc2C)c1 170105279 NXFGQOGOZRUZMS-KRWDZBQOSA-N 440.546 4.921 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1OC 170123956 BUGNSKKNXRXKKZ-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(O)c(OCC)c1 170148773 UACIOVMSLBOGIV-JOCHJYFZSA-N 434.492 4.651 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 170169386 SVNNEHKWKGXYDG-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170179108 AADKASPCDMREMD-NRFANRHFSA-N 445.862 4.655 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1C 170230820 UTXMIEOGJVEYFL-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1C 170289925 IYVJJYWMGPFIPU-JOCHJYFZSA-N 428.444 4.560 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccc(C)o1 170298847 WNEKDINOBPJDFQ-IBGZPJMESA-N 447.915 4.562 30 10 IJEE O=[N+]([O-])c1cccc(C=NOCc2ccc(CON=Cc3cccc([N+](=O)[O-])c3)cc2)c1 254352182 SDWMBQQPYWTEEY-UHFFFAOYSA-N 434.408 4.604 30 10 IJEE Cc1ccc(NC(=S)NN=C2C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 254408493 WIDFTRXSHZSSSP-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)o1 442141983 VLEWEFQMAWLCCN-GJYPPUQNSA-N 425.554 4.778 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)[C@H](C)c1cccc(Br)c1 507500189 HLGVDGJBUPHJQP-OAHLLOKOSA-N 446.370 4.737 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(OC)c2OC)cc1 526487490 ZGCRVNKPIFDKFI-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1cccc(OCC)c1 526830660 RYPQEMADXJOVDD-UCQKPKSFSA-N 442.541 4.574 30 10 IJEE CSc1ccc([C@H](CNC(=O)Cc2cccc(C#N)c2)N2CCc3sccc3C2)cc1 531384591 UWWJCFXLEJKCGT-QHCPKHFHSA-N 447.629 4.800 30 10 IJEE C[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(OCc2ccccn2)c1 539250999 HPBBHPZLROMHQR-DLBZAZTESA-N 446.576 4.760 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1nc(C(C)C)no1)c1ccc2c(c1)OCO2 558079817 FWQMKIKCSIWWRL-UHFFFAOYSA-N 449.507 4.653 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](c4cccc(F)c4)C3)n2Cc2ccccc2)c1 565316603 DMLZVCNRWUEVNX-XMMPIXPASA-N 439.494 4.582 30 10 IJEE C=CCN(C(=O)CN[C@](C)(CO)C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 565332812 LCIYNAOQSMTYGO-HXUWFJFHSA-N 442.412 4.633 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(Cl)c2)cc1OC 586230915 KXOQPBKWPGLBBQ-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCn1c(SCC(=O)N(CC)[C@H](C)c2cccnc2)nnc1-c1ccc(Cl)cc1 604287065 MECHRCIWLYWGAM-MRXNPFEDSA-N 441.988 4.881 30 10 IJEE N#Cc1ccc(CNC(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)c(F)c1 609229449 QNJANHKSVHDOEA-NRFANRHFSA-N 439.284 4.896 30 10 IJEE CC(C)(C)C#CC[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686825345 HNXFVGBEXPIBFN-JOCHJYFZSA-N 427.633 4.703 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCC(CN(C)Cc2ccccc2)CC1 717425759 ZMRHSGRFSJQJNA-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 735307831 ACCWHESVFILZRX-UHFFFAOYSA-N 438.742 4.507 30 10 IJEE Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c(Cl)c1 744841555 YTNRRBGFFBVULU-KKSFZXQISA-N 428.916 4.802 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 773852271 KVNJQTDQPDSCQQ-UHFFFAOYSA-N 426.479 4.623 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c1=S 799953763 YCDUIJLJPFEHGG-QFIPXVFZSA-N 427.524 4.638 30 10 IJEE CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)o2)cc1 913364500 BVTSKXGUOUWVKK-OHWUJUKESA-N 436.508 4.625 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc(F)c2)n[nH]1)c1ccc2ccccc2c1 1083950965 RTXRIFYGVPMMGK-UHFFFAOYSA-N 434.500 4.664 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)c(C)c1 1084122669 DCKWIDYKNNGLOW-UHFFFAOYSA-N 430.537 4.752 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)C(F)(F)F)cc1 1128972262 XTCQLEIEIOJOLS-HXUWFJFHSA-N 432.373 4.945 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(Br)cc(Br)c1 1129819304 HXVYIGQLXLLGLX-KRWDZBQOSA-N 434.131 4.891 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1OC 1129950960 HOJPAYMNQITSPM-CSKARUKUSA-N 427.570 4.525 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)c(Br)[nH]1 1136450034 FJHUPQDCEXNPPP-UHFFFAOYSA-N 439.151 4.710 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Br)cc2OCC)CN(C(=O)OC(C)(C)C)C1 1149682304 NRLMRIYMCADPJK-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(=O)Nc1c(F)cccc1F 1162667435 BEMODWCTHZRNKG-ZDUSSCGKSA-N 439.384 4.643 30 10 IJEE C=CCn1c(SCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Br)cc1 1164621250 LCFSLNBZCRWJPK-JLJPHGGASA-N 432.387 4.991 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 1165508193 NGXBMKJEZLICTD-UHFFFAOYSA-N 449.938 4.610 30 10 IJEE Cc1ccc(N2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)c(C)c1 1167632453 CRHCQEKGAIUBMY-UHFFFAOYSA-N 425.532 4.717 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)cc1 1215055526 DREVHQUPBNBJGG-JOCHJYFZSA-N 431.496 4.708 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cccc(F)c1F 1227507226 MDIGINOLJLOWCT-UHFFFAOYSA-N 427.264 4.807 30 10 IJEE C=C(CNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1ccccc1 1229631489 ANCLCBLXXJPNNR-IBGZPJMESA-N 426.866 4.531 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1234235376 FQNVPPZIYUKHHL-TZEULACYSA-N 443.588 4.569 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1Br 1264816311 BRPHRQYRCCJTHH-UHFFFAOYSA-N 428.311 4.825 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC)CCCN1C(=O)OC(C)(C)C 1266168168 MQYJKXCAQKRHSM-DFBJGRDBSA-N 428.573 4.582 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCCCC1 1286278440 CXHKFMSENJUFJN-LJQANCHMSA-N 439.673 4.998 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(CCOC)CCCCC1 1286363930 VDPOVMKICBVXFN-IBGZPJMESA-N 428.552 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H](C)CCC 1286553419 UYOHIQZZTTZXMT-HMFYCAOWSA-N 428.577 4.568 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1286621337 CADFSRWZDFUPLP-FUHWJXTLSA-N 434.943 4.563 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)[C@@H]1CCSC1 1286631561 PNPFTJHJASDSFM-QGZVFWFLSA-N 441.428 4.946 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](C)C2)CC1 1286652015 RLPZLWHLWKMAFT-FXAWDEMLSA-N 442.007 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1286669486 HRASWQJRIOISFC-JOCHJYFZSA-N 431.584 4.780 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccco1)c1ccccc1 1286677514 CPZWCCBJLYQYMV-TZIWHRDSSA-N 433.556 4.664 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 1286682696 BXDMXDZXNITEPC-IBGZPJMESA-N 429.584 4.834 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(=C)Br)C1CC1 1286734553 RSOKIMPEEYOYLQ-UHFFFAOYSA-N 425.277 4.610 30 10 IJEE CC(C)C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1287330338 ATNCFTRNPPZSOG-XUZZJYLKSA-N 443.039 4.629 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(C)CCOCC2)cc1 1287630315 HNNBSZUADOBSIC-HXUWFJFHSA-N 439.604 4.783 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](c1ccc(C)cc1)c1cccnc1 1293101484 LRYOEOGUVSPXRL-GOTSBHOMSA-N 435.568 4.635 30 10 IJEE C#C[C@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1299870132 XZWCSCXXWIGWSI-VWLOTQADSA-N 438.527 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C)cc1OCC(F)(F)F 1300314131 BRQDUDDEICBOOY-INIZCTEOSA-N 448.514 4.686 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnc(C(C)C)nc1 1300404363 XWXIEGGFQUUMOF-UHFFFAOYSA-N 441.539 4.563 30 10 IJEE COC1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCSC(C)(C)C2)CC1 1300713285 IBGHKKWIVBEHMR-UHFFFAOYSA-N 439.629 4.744 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@](C)(O)c2cccs2)CC1 1301091633 LVJPDJNXJITTFK-DEOSSOPVSA-N 438.597 4.600 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)COCC)CC1 1301135574 ZREXVUUPDKZJJK-UHFFFAOYSA-N 432.996 4.976 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)C[C@H]2CC)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301168540 RPVRPFNNHSTUQL-HUBRGWSESA-N 438.616 4.915 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1301207714 FRKPMVVEXLGFBJ-UHFFFAOYSA-N 438.885 4.953 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCCN1CCCCC1 1301356832 DQGHIHGWCHFOPI-UHFFFAOYSA-N 425.602 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1OCC[C@H]1C 1301373255 UMJRGEIVXSEVGX-YLJYHZDGSA-N 435.597 4.980 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H]1CCOC1 1301373571 YWTBYBQNEUTGGN-IBGZPJMESA-N 435.597 4.982 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC(C(=O)c2cccs2)CC1 1301530944 BEBBJQZGJPKLMN-UHFFFAOYSA-N 436.581 4.614 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1OC 1308253823 AIDMOXOIBAOSFW-QGZVFWFLSA-N 447.982 4.655 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1312676285 FIVSLXSVSGQTQC-HSZRJFAPSA-N 435.568 4.919 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1cccc(C)c1)c1ccc2c(c1)OCO2 1349398923 RWSBZNSTHSMQEB-UHFFFAOYSA-N 431.488 4.901 30 10 IJEE CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 1351716280 AIHWEROSLPFRLV-NRFANRHFSA-N 434.883 4.605 30 10 IJEE C=CCN(C(=O)C1=Cc2cc(OC)ccc2OC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352762599 GORNMJZKFQIXFT-UHFFFAOYSA-N 449.488 4.722 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H](C=C)c2ccccc2)c(C(=O)OCC)c1C 1352793157 JSUCFSYTJPFEJL-MRXNPFEDSA-N 427.522 4.874 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 1357218490 DKBJNUZXGDCJEO-DEOSSOPVSA-N 434.561 4.949 30 10 IJEE Cc1cc(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)nn1-c1cccc(C#N)c1 1357299182 FMHQGOBQTHVKSM-DEOSSOPVSA-N 440.478 4.742 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(Br)o1 1358914832 JFJQAPOVLCXJFZ-UHFFFAOYSA-N 433.375 4.726 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1358916494 MXHADRPTQBMYLQ-ZJSXRUAMSA-N 438.616 4.954 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1358920558 BMOXQHPUQPMNFE-GGAORHGYSA-N 449.643 4.612 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)C1CCCCC1 1359057915 MKMCIURMBMTMNI-KRWDZBQOSA-N 432.584 4.919 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2CCCCC2)CC1 1359169556 MTYAIOLNJORDMK-BGYRXZFFSA-N 429.609 4.786 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359187451 NSLRAFQVDPSGRR-GOSISDBHSA-N 434.588 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(F)F)C1 1359192179 YLQCAHGCZGVASO-QGZVFWFLSA-N 434.531 4.950 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccnc(SC)c1)C1CC1 1359253121 SWRZDFAOICTKAV-UHFFFAOYSA-N 435.597 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1359271578 YIOISWWLXTZLAR-LJQANCHMSA-N 429.609 4.761 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC=CCC1 1359279183 WOTAWUBNFNDIOO-KRWDZBQOSA-N 431.378 4.703 30 10 IJEE C=CCC[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(C(F)(F)F)cc1 1435635237 PPPKDFIFHSKMFS-GOSISDBHSA-N 432.442 4.645 30 10 IJEE CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)CC1 1436551643 ICTUSHAQBDVFLJ-UHFFFAOYSA-N 445.610 4.590 30 10 IJEE C#CCN(C(=O)c1snc(Cl)c1Cl)[C@@H]1CCOc2ccc(Br)cc21 1444115152 BJOUVLNTEBXHQW-LLVKDONJSA-N 446.153 4.812 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)c1ccccc1 1455288390 LHGYVPBAIMOLPA-LJQANCHMSA-N 440.487 4.904 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cc3sc(Nc4ccccc4OC)nc3s2)CC1 1455925302 JSKPUWKGTAOLDC-UHFFFAOYSA-N 429.567 4.653 30 10 IJEE C#C[C@H](NC(=O)c1nc(CCC)n(-c2ccccc2Cl)n1)c1ccc(Cl)cc1F 1460787529 LNKDCCZUANDOPK-KRWDZBQOSA-N 431.298 4.770 30 10 IJEE Fc1cc(CN2CCN(c3cc(C(F)(F)F)ccn3)CC2)ccc1OCC(F)(F)F 1462460649 DKMQMWYXGBARFO-UHFFFAOYSA-N 437.359 4.503 30 10 IJEE COc1cc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1OC1CCCC1 1462844282 BFYXGFXVWQIWSL-AWEZNQCLSA-N 434.945 4.581 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)cc1OC 1465750577 QBFOGBUKCKRICY-PKNBQFBNSA-N 431.454 4.993 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 1465779339 FDNPLURDCJAFAI-UHFFFAOYSA-N 436.405 4.980 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1cc(C(F)(F)F)ccc1Br 1468484429 VQTZBAGZHCDVLQ-INIZCTEOSA-N 432.280 4.927 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 1468847709 JFUOPBUTYVLSSF-IBGZPJMESA-N 435.524 4.838 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCCC[C@@H]1Cc1ccccc1Br 1468848451 QHJDJRXVCUPUPC-HXUWFJFHSA-N 441.369 4.768 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 1468850496 UTUGXJZNNFAXSN-JOCHJYFZSA-N 427.568 4.668 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1470786278 HZJMXGIYLBTSDC-RLLQIKCJSA-N 427.593 4.562 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1476661792 HWPGTEPYLYLRGK-IBGZPJMESA-N 443.569 4.767 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1F 1477344941 DGZAOOPIAWXSMR-VXKWHMMOSA-N 436.918 4.775 30 10 IJEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccc(Cl)s2)CCO1 1493310735 FLOXGZVKQUKOLI-WBVHZDCISA-N 441.988 4.983 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC(F)(F)C1 1507524939 XDYACKPGXLPNAQ-OLZOCXBDSA-N 441.295 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](CC)N1CCCC1 1507540811 DBHWIMZFXLBCBY-VXKWHMMOSA-N 437.632 4.621 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)[C@@H](C)C1CCC1 1507750241 NQLIGKUPWOMQLI-IBGZPJMESA-N 434.613 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H](OC)[C@@H](C)CC 1507761201 KSJUHRIRISIHFY-XWFZLUIHSA-N 445.405 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccc(OC(F)F)c(OCC)c1 1507761265 JBKHQFSDHOBLSG-HSZRJFAPSA-N 432.515 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1OCCC1(C)C 1507822911 AVQJGNWLBNHRSN-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1507851729 BBKRFWBUEJBAOB-IBGZPJMESA-N 437.588 4.610 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1507860060 IGSVYQJGCABSNY-MAUKXSAKSA-N 427.763 4.726 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507960661 UZXDYYPCTJUUKZ-VQIMIIECSA-N 445.489 4.721 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1CC(CC)(CC)NC(=O)OC(C)(C)C)C1CC1 1507989686 HWAMQXPBQMWBBF-UHFFFAOYSA-N 440.592 4.578 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCOC2(CCCC2)C1)C(C)C 1508013839 RJOLSPASUWUKJI-QHCPKHFHSA-N 441.664 4.784 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(Cl)cn1 1508020447 MCGGQLYIHIWPSW-UYAOXDASSA-N 445.995 4.503 30 10 IJEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1508039804 QSLHAGYNGAAXQA-FHWLQOOXSA-N 430.980 4.583 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1508048192 WYPIXFHIJXDPMK-CXAGYDPISA-N 426.508 4.618 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(C(CC)CC)no2)C1 1508118601 WDFQJWKRYOZYBP-SFHVURJKSA-N 425.533 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)N[C@@H](C)c2ccccc2)C1 1508127074 WNTQRWYDEAMYDG-NZQKXSOJSA-N 437.632 4.846 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1515210604 GFOMWOOSZNKTAF-PMOQBDJRSA-N 439.604 4.663 30 10 IJEE O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 1519371237 DLUPCOCPCNLBJK-OAHLLOKOSA-N 436.327 4.679 30 10 IJEE C=CCC[C@@H](NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 1519590099 QJFQVLPSRSIYKO-QPLYDRNXSA-N 430.426 4.873 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)C(F)(F)F)cc1 1521336353 FZYCJJYTLJNZKW-OAQYLSRUSA-N 429.442 4.654 30 10 IJEE C=CCN(C(=O)c1ccnc2ccnn12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1523263206 XBMOMEJWZDJDCT-UHFFFAOYSA-N 430.320 4.992 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C 1523668032 GFGXNXCALFIPRV-UHFFFAOYSA-N 440.507 4.525 30 10 IJEE C#C[C@H](NC(=O)c1ccc(O[C@@H](C)C(F)(F)F)nc1C)c1ccc(Br)cc1 1525053849 GIURDHYGVIGPDZ-LRDDRELGSA-N 441.247 4.586 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1)c1ccc(Br)cc1 1525055244 ZKUQNFKRKJIXTC-JOCHJYFZSA-N 448.316 4.793 30 10 IJEE Cc1cccc(N2C[C@@H](C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)CC2=O)c1C 1526174378 ADVLVQLJOQXSSR-APWZRJJASA-N 443.469 4.616 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1529841209 ISEKHLCQVIMCMK-PIBDYAPNSA-N 428.573 4.629 30 10 IJEE C#CC[C@@]1(C(=O)OCc2ncc(-c3cccc(Cl)c3)o2)CCCN1C(=O)OC(C)(C)C 1530236325 PEBDDWGKBIXUBI-QHCPKHFHSA-N 444.915 4.831 30 10 IJEE C#CCOCCC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1Br)CCC2 1531751715 PIVQRLLBUJMYQK-UHFFFAOYSA-N 446.366 4.517 30 10 IJEE C=CC[C@@]1(C(=O)Oc2cc(F)ccc2Br)CCCN1C(=O)OC(C)(C)C 1533126454 DHBBKABPFPPAKW-IBGZPJMESA-N 428.298 4.839 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-n2cc(C)cn2)cc1 1536695270 UYFXOLIZJBEHHS-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)CCCN1C(=O)OC(C)(C)C 1537651132 MAJRAVJNMWCGTB-KBMIEXCESA-N 426.557 4.895 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(C3CCC(C)CC3)CC2)s1 1538168233 FOSLNHASUHCOEL-UHFFFAOYSA-N 428.067 4.562 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc(Br)cc(Br)c1 1538215460 WKWUZDQLTXCHFL-UHFFFAOYSA-N 425.120 4.706 30 10 IJEE CC[C@@H](C#N)N(CC)C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1538447397 HBEMMHKBLJQGMS-HOCLYGCPSA-N 440.594 4.836 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1538892606 SNWXVVIGLFKKHT-IBGZPJMESA-N 447.000 4.732 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc21 1538951758 UGORRDDNBQOIKH-UHFFFAOYSA-N 427.464 4.995 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1539035883 VDWNFEPJQFVDLJ-STWLZBDKSA-N 439.673 4.847 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1539352017 MWFJFQIWNCXSSH-PONJGIIJSA-N 433.383 4.653 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@H]1CC 1539499141 FLKCWJFOSVCNDP-UONOGXRCSA-N 439.448 4.760 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 1539617713 SNXNWFVKYRWDLP-UHFFFAOYSA-N 438.556 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1539632192 PYEDWUJVFJEGNJ-APTRMMRNSA-N 438.616 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CC)C1 1539639604 AGOHIKKTIFLAGS-MSYCTHLASA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@](C)(OC)CC1 1539906645 RSYPLHDYRHUAQP-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1539981396 IDJYOWPDPKNBEQ-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1csc([C@H](C)OC)n1 1540122701 ZATKSQQKRYYUBX-KRWDZBQOSA-N 448.596 4.822 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@@H]1C 1540128875 QQXREOSLQCXPCZ-DFBJGRDBSA-N 447.608 4.546 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1CCCNC(=O)OC(C)(C)C 1540164446 OZLYNIUFBRSIRG-UHFFFAOYSA-N 436.560 4.520 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C(F)(F)F)C1 1540895558 VDSXGYZJYZFIMC-GOSISDBHSA-N 438.494 4.535 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCc2sccc2C)n1 1542560062 GWADDLLSENKICH-UHFFFAOYSA-N 428.565 4.769 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCOc2ccc(Cl)c(F)c2)s1 1544954256 VSDIVGPXDCFZLJ-UHFFFAOYSA-N 435.373 4.826 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 1556994482 DOTIDXACNJQTRX-IBGZPJMESA-N 426.582 4.959 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 1557063859 BHXKCMDLTSXAFU-UIOOFZCWSA-N 426.516 4.755 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@](C)(c2ccccc2)C1 1562929378 SCVLEZKBRYZMSW-OAQYLSRUSA-N 431.330 4.793 30 10 IJEE C#CC1(F)CN(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)C1 1563413784 VZWPUVBYBDHROI-QGZVFWFLSA-N 430.310 4.973 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Cl)c1 1566267489 BQMSTWGHFUPKEK-NQIIRXRSSA-N 428.363 4.992 30 10 IJEE CC(C)[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1cccc(Cl)c1 1583847660 CTFJNVNWNKZUGL-XMMPIXPASA-N 447.970 4.690 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1586391957 LWSYXFLYWJDFAT-SFHVURJKSA-N 444.984 4.662 30 10 IJEE C=CC(C)(C)CNC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 1587319342 XDKLKDQHVBFURL-UHFFFAOYSA-N 428.508 4.633 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(C)OCCc2sccc21 1587574228 DQMYUMQGGVZOTD-IVZQSRNASA-N 426.973 4.606 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cccnc1OCCCC 1587587170 YUJFGOZHBSOLSB-GOSISDBHSA-N 429.524 4.771 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1587813155 HGAIARKNDIWJCB-PZJWPPBQSA-N 431.584 4.857 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)c1ccccc1 1589390597 OSEQJCVATOBPDT-GMAHTHKFSA-N 430.552 4.629 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 1593770306 YOLZAFADPLYLAE-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCCC(C)C)CC1 1594003628 FSSDIQISTFECKA-WOJBJXKFSA-N 439.044 4.981 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)CN2CCCC2)CC1 1594024061 RJCHBDIZPJRMJD-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1594090605 MHMQKLNDCMSUNA-RTWAWAEBSA-N 429.634 4.821 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(SC)CCOCC1)C1CC1 1595026203 GKTCESWHEDBNGA-OAQYLSRUSA-N 426.630 4.887 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCCN1CCCCC1 1595070806 NDRSZHFJAYLMAW-UHFFFAOYSA-N 425.621 4.653 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C 1595166952 ZVIGATPPPSCQND-GGAORHGYSA-N 437.632 4.647 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C 1595166955 ZVIGATPPPSCQND-JTHBVZDNSA-N 437.632 4.647 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1sc(C)nc1C 1595233951 AKSXAHCRYMBDEK-UYAOXDASSA-N 429.634 4.691 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@@H](C)O)cc1 1595250835 JYXOOVRHMBBAAY-HXUWFJFHSA-N 443.551 4.578 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H](C)c1nccs1 1595649697 TWONIMLURAUNOJ-QGZVFWFLSA-N 434.569 4.583 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)cc1 1597796110 KTAQYCAOOCPLPD-UHFFFAOYSA-N 431.517 4.552 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCCC1 1611742271 ADOOATLSDMRSJD-RBUKOAKNSA-N 445.011 4.686 30 10 IJEE C=CCc1cc(C(=O)N2CCc3cc(Br)c(F)cc3C2)cc(OC)c1OC 1618115973 HHCQHRCYNHHWIR-UHFFFAOYSA-N 434.305 4.532 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)NCC2(c3cccc(Cl)c3F)CCCC2)c1 1622028166 DTEUFUDUGIFAES-UHFFFAOYSA-N 427.328 4.794 30 10 IJEE C=CCCCCNC(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 1622922900 ZBJUCTXEAQBMOA-UHFFFAOYSA-N 437.359 4.760 30 10 IJEE CSc1nc2ccccc2c(C)c1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1626590732 FIEIELJMKWHVJI-UHFFFAOYSA-N 445.592 4.923 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCCc3c(cccc3OC)C2)s1 1627691323 OPZIOHANBXRGNN-INIZCTEOSA-N 437.030 4.911 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1)C(C)C 1628521270 MUYONDZTVNUFBD-VXKWHMMOSA-N 448.449 4.864 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc4c(c3)nc(C(C)(C)C)n4C)n[nH]2)c1C 1632299633 SNJBWMDYRGXKDO-UHFFFAOYSA-N 431.544 4.513 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4ccccc4C)c3CCC)n[nH]2)c1C 1632914277 DYHTUAGYQIDEAK-UHFFFAOYSA-N 443.555 4.775 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[C@@H]3C)ccc2c1=O 1633581087 BJFWEYPXTRMNKY-CYFNAFFESA-N 439.968 4.652 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)cc1 1633789254 ICGUBZSEPBWCCI-QFIPXVFZSA-N 435.886 4.930 30 10 IJEE C=CCC[C@H](C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)c1ccccc1 1634038843 GZTOKLOISDFDOT-FHWLQOOXSA-N 440.506 4.898 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1636927856 UOUOFVRXFXTZQI-SFTDATJTSA-N 430.470 4.878 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1639668548 BHQJXVIQQDCHFA-CYBMUJFWSA-N 427.353 4.879 30 10 IJEE C=CCC[C@H](Nc1ncnc2c1ncn2C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 1642472384 YXBLGYKLYCRANH-IBGZPJMESA-N 434.544 4.738 30 10 IJEE N#Cc1ccc(S(=O)(=O)CCSc2nc3ccccc3n2-c2ccc(F)cc2)cc1 1643668074 FLEGSQVGXOJZCK-UHFFFAOYSA-N 437.521 4.602 30 10 IJEE COc1cc(-c2noc(CN(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)n2)ccc1C 1646329475 BWPQMZRCUYKQFJ-OAHLLOKOSA-N 430.430 4.987 30 10 IJEE Cc1c(C#N)c(NC(=O)CSc2nc3c(cc2C#N)CCCC3)n(-c2ccccc2)c1C 1651742870 GKXYRTSVTGUHPF-UHFFFAOYSA-N 441.560 4.842 30 10 IJEE Cc1ccc(C)c(N2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1 1653557168 CPDRTIXQYYUNLO-LJQANCHMSA-N 436.625 4.655 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1653619946 KWIIALPDVKJDQL-OAQYLSRUSA-N 444.362 4.797 30 10 IJEE Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)c1cc(Br)ccc1C#N 1654818529 DPYRVIRQTDYHST-LBPRGKRZSA-N 442.404 4.591 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 1661171680 OEMUTIRLZPKYPT-QGZVFWFLSA-N 435.414 4.989 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1[C@H](O)c1ccccc1 1670845794 UKUUWQMQLUJLLZ-UYAOXDASSA-N 431.330 4.744 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2nc(COc3ccccc3)cs2)CC1 1673430757 AXGJGPHBSGFIRI-UHFFFAOYSA-N 449.536 4.500 30 10 IJEE COc1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1C#N 1673850192 IEHOMZFYCPKRQX-UHFFFAOYSA-N 437.503 4.800 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)C(C)(C)C 1683005195 CCTKAZBUENZIKR-IEBWSBKVSA-N 429.561 4.983 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC(C)C)CC1 1689848503 WKELJZWGIMCVMW-LJQANCHMSA-N 446.599 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNC(=O)C(C)(C)C 1690256826 XGZBOAHXXYLZAE-HXUWFJFHSA-N 441.620 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690259547 NFFJCPOPZJDLNM-MRXNPFEDSA-N 448.999 4.651 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1690284528 GJOVMOPZCYROTL-GMAHTHKFSA-N 430.600 4.714 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(Cl)ccn1 1690298484 ZHCVYTSLZPBFNI-SFHVURJKSA-N 446.983 4.611 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2csc(CC)n2)CC1 1690364419 QAKFRSSCFJCHFZ-KRWDZBQOSA-N 441.576 4.975 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](OC)C(C)C)CC1 1690404379 BHQIOOZONCLBOM-QHCPKHFHSA-N 442.604 4.814 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCc2csc(CC)n2)CC1 1690415634 SENCIYTYTIJEGY-UHFFFAOYSA-N 441.576 4.660 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1690465933 RLAGVMPOHGWGSI-QHCPKHFHSA-N 448.615 4.889 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCC1=CCCCC1 1690554102 UHUDASMWOITCQJ-UHFFFAOYSA-N 449.599 4.606 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1cscc1C 1690556301 SLZNLQUQEBVBJM-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C#N)o1 1690579299 JJSNWCJLZNNBIN-UHFFFAOYSA-N 445.548 4.645 30 10 IJEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1696756202 DICNYGAEXVZBCU-DFQSSKMNSA-N 447.505 4.973 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1705513619 SJXLOQOXTYSDGJ-HSZRJFAPSA-N 436.600 4.612 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C)CC1 1705682077 PGKFZRQUMWRSRB-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(C)c1 1705700061 OGQREHUJRRJRBM-URXFXBBRSA-N 447.583 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1705703954 PXMPHIOBEIPDKC-QMMLZNLJSA-N 430.593 4.643 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1C1CCC1 1705731094 QZXGXPDKFRVPHS-GHTZIAJQSA-N 428.552 4.919 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccccc1 1705746544 VPQWBPJBRWOXEI-CQSZACIVSA-N 434.769 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](COC)C1 1705787736 BZMKFZFIBNFCIE-MRXNPFEDSA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CC2)n1C[C@@H]1CCSC1(C)C 1705858442 XTQIAYBMBSTGKS-FQEVSTJZSA-N 426.630 4.964 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC1=CCCCC1 1705861249 ZKXNFASKPGCRHL-UHFFFAOYSA-N 441.583 4.704 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnccc1OC 1705865594 NNWZBPJPAIJJDE-UHFFFAOYSA-N 442.548 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)C1CCCC1 1705870169 NOCIWOASGDSURA-UHFFFAOYSA-N 430.600 4.855 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CC(F)(F)CO1 1705878746 YYSKHSNSLZCIIE-HXUWFJFHSA-N 444.551 4.590 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2ccco2)C1 1706441515 DIDATYVYSFOXCO-OFVILXPXSA-N 433.556 4.591 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCC2(C)C)c1 1707332968 BAIILCNPRMVBGR-YADARESESA-N 425.552 4.742 30 10 IJEE CCC(O)(CC)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1708817911 BXMPKLOIWPQAAF-GAJHUEQPSA-N 441.645 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@@H]1C 1722278491 QPUINUUPJFVZAT-FUDKSRODSA-N 437.632 4.757 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@]2(CCSC2)C1 1722327588 GSJLLQRRJZZPGJ-OAQYLSRUSA-N 445.430 4.763 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1722331342 DPFVZIMOWFUOAP-HXUWFJFHSA-N 442.350 4.638 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCCC[C@H]1C 1722407939 UXCRMTHCBKVGOK-HSZRJFAPSA-N 433.644 4.862 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@]2(CC=CCC2)C1 1722455206 QBCRQCLIVSYGIY-HSZRJFAPSA-N 437.569 4.546 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCCN(C(C)(C)C)CC1 1722496926 OWIYCJGECBLQEG-GMAHTHKFSA-N 437.632 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CC1(N(C)C)CCCC1 1722516118 UAOZCNDFGXJESS-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CC2(OC)CCC(C)CC2)CC1 1722569554 FCMIVBIWKIAWHP-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCCc2nccs2)CC1 1722572660 ZZTAWDFMPCCOSD-UHFFFAOYSA-N 441.626 4.825 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCC 1722587798 ALBPYWDNLLSTCK-RTBURBONSA-N 449.640 4.814 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC[C@@H](F)C1 1722595227 MEIKISCCQPUTHX-ZWKOTPCHSA-N 438.551 4.915 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)cc(OC)c1)C1CC1 1722653771 LFLJWPRXNVRSGS-NHCUHLMSSA-N 428.552 4.548 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1722694461 WMAHGLFJSDQKBQ-NYVOZVTQSA-N 435.616 4.560 30 10 IJEE Cc1n[nH]cc1CCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1724100907 FDRFUHBKWWJWKL-OAHLLOKOSA-N 444.008 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1nc2cc(Cl)ccc2s1 1740555602 LSBOBJCYQRKPLF-CYBMUJFWSA-N 427.986 4.700 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCc1ccc(OC(F)(F)F)cc1 1740657551 ZOEOGJMYEJXDPS-UHFFFAOYSA-N 430.474 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740775182 PMBRXZVAXRKDFB-RLWLMLJZSA-N 439.648 4.790 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H]1C 1740844230 FYNAOTWHUZYJHW-IRXDYDNUSA-N 428.577 4.808 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1740921637 CLVGKFKEICBAKH-NRFANRHFSA-N 448.514 4.860 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(COC)cc1 1740923221 GOBMWVAMNUFHSG-OAQYLSRUSA-N 438.597 4.621 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccccc2C(C)C)C1 1740980614 QOIGSIOPETZZBR-OFNKIYASSA-N 440.588 4.503 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)O[C@H](C)C1 1740997352 QTMVHUGEEXUPBX-IAGOWNOFSA-N 432.659 4.808 30 10 IJEE C[C@@H]1C[C@@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CCO1 1742949402 AJADQAXOVRXGDQ-GGPKGHCWSA-N 441.551 4.502 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](SC)C(C)(C)C)C1 1747258663 HSYBOHDZGLWUDX-TZIWHRDSSA-N 441.645 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OC)CCCCC1 1748650593 ANUQTGZDPGBHGE-ROUUACIJSA-N 426.630 4.939 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)Cc1cccs1 1748956703 YCCRQVPIDLYNAW-KRWDZBQOSA-N 428.989 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1ccccc1 1749133728 PKRFJOOVJBMBKF-NZQKXSOJSA-N 437.613 4.642 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CC(F)(F)F)nnc1C1(c2ccccc2)CCC1 1749140632 RRDLGQMKSUFZTG-PKOBYXMFSA-N 434.506 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(C)C 1749162310 MMRMYPWUAKMZRO-FQEVSTJZSA-N 427.980 4.821 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(OC(C)C)CC1 1749260923 GLPSRQJUICKOAV-UHFFFAOYSA-N 448.995 4.889 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2ccco2)nnc1[C@@]1(OC(C)C)CCOC1 1749377163 MYENPUBCUVLUPF-NTKDMRAZSA-N 428.577 4.856 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cc(Cl)ccn1 1749414816 IOBTWQCGCDHXDZ-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE C=CCCCn1c(N2CCC(Oc3c(OC)cccc3OC)CC2)nnc1C(C)(C)C 1749440199 URHDJRKGPQTSLI-UHFFFAOYSA-N 428.577 4.607 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCC(F)(F)C(F)F 1749473321 FEEWFNHLYRJRPK-CYBMUJFWSA-N 446.514 4.671 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H](c1ccco1)N1CCCCC1 1749499842 PHYPYNAYRKMWLX-JOCHJYFZSA-N 435.572 4.608 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC[C@H](OC)C(F)(F)F 1749541288 LKFRLIBAJQXBOZ-IBGZPJMESA-N 449.452 4.639 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)nc1 1749552953 LSKGHNLNEIUBEF-UHFFFAOYSA-N 436.972 4.615 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nc(C)cs1 1749592068 AZFLHVRNJCFZDN-OAHLLOKOSA-N 443.642 4.583 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CCc1nc(C(C)(C)C)cs1 1749596044 QDMKHSXXLWZHEV-UHFFFAOYSA-N 439.629 4.889 30 10 IJEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1751033070 COKRULJOAYAKQN-SFHVURJKSA-N 429.515 4.646 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCN(CC)C1 1760105859 HNZPAEYBWXUXMU-ROUUACIJSA-N 437.588 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(C)C1CCCCC1 1760226568 VQCBBGVCRQXAIR-UHFFFAOYSA-N 444.627 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCc1nc(C)cs1 1760295260 ALXZOHFXVAKIFF-RUZDIDTESA-N 433.625 4.957 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N(C)CCCc1ccccn1 1760308504 HPRUYAVYXVEZCC-UHFFFAOYSA-N 440.389 4.550 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC1CCC1 1760319715 PNSHIDVHRHIPET-OFNKIYASSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1760345768 SMMJZKSCCKTERW-LSDHHAIUSA-N 441.523 4.955 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 1760361122 SPBHZPBNCDIMEI-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1760377447 CBZSAQXQQYSYIN-ICSRJNTNSA-N 435.037 4.935 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@H](COC)C1 1760416153 VQFOWMRDPLAXQZ-IBGZPJMESA-N 430.568 4.851 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)c1ccccc1 1760420203 KTSKBUDVURBZMS-HSZRJFAPSA-N 435.616 4.572 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1760488360 SPCFYXNTJFQNFE-JTHBVZDNSA-N 436.648 4.911 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21)N(C)C 1762160877 HGDSJHNPYHUXDA-XWGVYQGASA-N 434.632 4.952 30 10 IJEE CCCN(CCC)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C#N)CC1 1764354794 GIZSAGDOJFRIJH-UHFFFAOYSA-N 433.604 4.678 30 10 IJEE CN(C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CC#N)CC1)c1c(F)cccc1F 1768470516 CRCBLEKQRNLGKU-OAQYLSRUSA-N 442.558 4.647 30 10 IJEE O=C1NC(=NN=Cc2ccccc2OCc2ccccc2)S[C@@H]1Cc1ccc(F)cc1 1772742304 LENVWCSPGJVBEM-JOCHJYFZSA-N 433.508 4.569 30 10 IJEE COc1ccc(C=NN=C2S/C(=C/c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 1772758489 WURNRXJBTRCRAY-PFZYSIKNSA-N 435.480 4.934 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)c3ccccn23)cc1 1858242150 RORVFASZSYTZEC-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE CCN(CC)Cc1ccc(COC(=O)C(=O)/C=C/c2ccc(Br)cc2)cc1 1860736833 FXULJXLFGDZCKF-SDNWHVSQSA-N 430.342 4.617 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CSc3nc(-c4cccnc4)cs3)c2C#N)C1 1860811908 UXJIFYVBVPTZIH-LBPRGKRZSA-N 426.592 4.994 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc(Cl)cc1 1861104609 ZZFLHVNZHPZIGG-WNJALKNKSA-N 435.008 4.572 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)c(OC)c1 1862420422 LEDSGGBWALJEKV-NRFANRHFSA-N 445.462 4.838 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc2cc[nH]c2c1 1862463567 ISXZDHGRTJFBAN-BIBXISHDSA-N 428.410 4.962 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Br)cc1 1862511239 JJHWRQWOBBOSMC-SFHVURJKSA-N 430.273 4.661 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccccc2Cl)cc1OC 1862569336 KKFOHIOGMIDZRL-NRFANRHFSA-N 443.927 4.982 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 1862652798 MMDAGRUNCXPWQO-DEOSSOPVSA-N 443.499 4.845 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 1862735031 AENLNONVMGMDRM-QFIPXVFZSA-N 448.475 4.769 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)c1 1862777143 SYGIPZFYSRWRDK-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)c1 1863107282 GPMVWYIBAOUWFV-UHFFFAOYSA-N 440.528 4.617 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3c(O)cccc23)=C(c2cccs2)C1=O 1863119743 DIIQRSJKNCUPFZ-UHFFFAOYSA-N 437.480 4.875 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3c2CCCC3)=C(c2cccs2)C1=O 1863119858 JZMKRFHIKPCWRK-UHFFFAOYSA-N 425.513 4.895 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863446578 DORWSHOQCKRZAJ-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE COC(=O)c1c(NC(=O)c2ccc(OCC#N)cc2)sc2c1CC[C@H](C(C)(C)C)C2 1865939665 HMOYWBSYVGRCLE-HNNXBMFYSA-N 426.538 4.840 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(-c3ccccc3)n2)cc1 1868376862 UGYCSFOBXVLEAI-QHCPKHFHSA-N 434.503 4.732 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(CC)cc2)cc1OCC 1870109833 LNFRRRAYXTWEQN-UHFFFAOYSA-N 447.539 4.590 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1C[C@@H]1CCCO1 1870380479 JJOUQSSMCTYYMU-DEOSSOPVSA-N 436.596 4.706 30 10 IJEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN(CCC)CCCC)cc1=O 1870563619 IYRAVAGXSRHEQV-SANMLTNESA-N 449.639 4.710 30 10 IJEE COc1ccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)cc1OC 1871396789 VNKVBGILDBCUIP-WSQWEHKVSA-N 437.536 4.812 30 10 IJEE C=CCN=c1nc(Nc2ccc(Br)c(C)c2)[nH]c(N(CCC)CCCC)n1 1871579159 KPQAXCHBVKNQAK-UHFFFAOYSA-N 433.398 4.722 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]1 1871660773 KPWRYZQOHQFLQZ-UHFFFAOYSA-N 449.647 4.910 30 10 IJEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871683127 QGFBNSXJFNALBG-UHFFFAOYSA-N 432.563 4.890 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871988771 NDGMFZVWLZGFTD-IERDGZPVSA-N 436.524 4.585 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872459893 AOMAKXJFUOFIRB-LJQANCHMSA-N 441.380 4.896 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)s2)cs1 1872787083 ANDLNSFNIYERBF-NSHDSACASA-N 434.842 4.831 30 10 IJEE COc1cccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCC3=CCCCC3)C2=O)c1 1873216778 NKONBICFUXQCPY-UHFFFAOYSA-N 427.504 4.649 30 10 IJEE NC1=C(c2nc3c(s2)CCc2ccccc2-3)C(=O)CN1c1ccc(Cl)c(Cl)c1 1873527859 UUTVMYKAGCVTJG-UHFFFAOYSA-N 428.344 4.932 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(OC)c(O)c1 1874245025 UQHFHHSUBDULLO-MFKUBSTISA-N 438.597 4.912 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(Cl)cc1Cl 1874340692 RQLUMBYQFPLLJG-GGPGUOJZSA-N 440.400 4.694 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(Cl)cc2)o1 1874459830 BRWRPKWSYKEDJX-GZIVZEMBSA-N 444.822 4.504 30 10 IJEE COCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874472770 WORCELLYCIAQOD-ZMOGYAJESA-N 425.945 4.776 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C2CCC2)cc(OC)c1O 1874495102 UTQGTTXZDHQVRN-ZMOGYAJESA-N 438.553 4.751 30 10 IJEE C=C(C)CSc1nnc(COC)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874501341 CJNYGDMAVAXNAL-OEAKJJBVSA-N 432.590 4.943 30 10 IJEE COCc1nnc(SCCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874501925 HEGORPRROKRZDL-PCLIKHOPSA-N 432.549 4.803 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874510271 KEAMTMNJSDHOAQ-FSJBWODESA-N 446.960 4.781 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cc(OC)ccc3OC)cc2)cc1 1875112406 HADNQFAGUHQKIJ-MKMNVTDBSA-N 432.472 4.757 30 10 IJEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c([N+](=O)[O-])c2)cc1 1875148087 ACGOPLWZCBUCMC-ONNFQVAWSA-N 431.448 4.798 30 10 IJEE C=C(I)COCc1c(Br)cccc1Br 1889235776 ZXBVVQLTSYWKHO-UHFFFAOYSA-N 431.893 4.677 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 1903081016 FHTQZHISPPXISL-IFXJQAMLSA-N 435.487 4.858 30 10 IJEE CC(C)(C)OC(=O)NC1CCC([C@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 1912206983 VLWREAFIXVEMBE-BUNACBEFSA-N 436.557 4.900 30 10 IJEE C=C(I)COc1c(Br)cc(Cl)cc1C=CC(=O)O 2077484349 WIIJHELSSTVUFY-UHFFFAOYSA-N 443.462 4.528 30 10 IJEE CC[C@H](c1ccc(OC)c(C)c1)n1nc(C(C)C)c(C=NO)c1I 2079950633 HVQNKWXTLMDLRZ-OAHLLOKOSA-N 441.313 4.736 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1O 2079952608 KMJGHIVPBKQWGD-KRWDZBQOSA-N 434.334 4.609 30 10 IJEE N#Cc1cc(Br)cnc1N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2163326218 MFFSOANLPSOJMT-QFIPXVFZSA-N 425.374 4.598 30 10 IJEE CC(C)N(Cc1ccc(Br)cc1C#N)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2174558864 DPNPAJBTJACPQI-IBGZPJMESA-N 436.394 4.931 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181139985 VCSPQCCFPRFIMH-KRWDZBQOSA-N 436.350 4.829 30 10 IJEE C[C@@H]1SC(=NCc2cc(Br)ccc2Br)N[C@@H]1C(F)(F)F 2195328470 YBYQFLLGDKXSLA-WKEGUHRASA-N 432.103 4.723 30 10 IJEE N#Cc1cc(F)c(NC2CC3(C2)[C@H](NC(=O)OCc2ccccc2)C3(F)F)cc1Cl 2207114229 OJLQFZJNOOVSCW-JMARDNNUSA-N 435.833 4.855 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(CC(=O)C#Cc1ccccc1Br)C(F)F 2227475393 VKYMSQMPRIYAFF-IBGZPJMESA-N 430.289 4.556 30 10 IJEE C=CCN(CC[C@H](NCCC)c1cc(Br)nn1CCC)C(=O)OC(C)(C)C 2232488008 SWQAFDDJXAAEIY-INIZCTEOSA-N 443.430 4.910 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2 2240549375 GDARQVJLVFZVJE-XGHQBKJUSA-N 441.410 4.631 30 10 IJEE C=CCCC1([C@H](O)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2263742849 RADVIHDBEXXEQQ-CQSZACIVSA-N 432.380 4.756 30 10 IJEE C=CCCC1([C@H](N)Cc2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266300045 DYVGCBLFRSYEQZ-QGZVFWFLSA-N 427.358 4.661 30 10 IJEE CC1(C)OB(c2cscc2C(=O)NCc2ccccc2OCc2ccccc2)OC1(C)C 2266990118 NPOLTJHYWJWETC-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 2267482825 IZORCBGCAVNAIW-IBGZPJMESA-N 436.405 4.638 30 10 IJEE CN[C@@H](C#Cc1ccccc1F)c1ccc(Br)cc1I 2281379289 VUODFSTUCPZSGQ-INIZCTEOSA-N 444.085 4.505 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(c2c(Br)cccc2C#N)C1 2285221746 ZYKRGSQCXITUHS-FUHWJXTLSA-N 434.378 4.937 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCOc3ccccc3)c(OC)c2)SC1=S 2293175787 ONHUGKHSWPHXRR-UHFFFAOYSA-N 427.547 4.540 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296294901 YOBHWUIWLABDCP-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE C=CCN(CC[C@@H](C#Cc1ccc(Br)cc1)NCCC)C(=O)OC(C)(C)C 2296295337 BZYGNCQOBCNRIK-HXUWFJFHSA-N 435.406 4.982 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296300875 NMNRWOJVYMLJMF-IBGZPJMESA-N 435.406 4.801 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2296308522 JPLGTXNXAAGWEG-SIKLNZKXSA-N 435.406 4.672 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)cc(OC)c1OC 2296867585 YUKTZYSHVSDROM-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE Cc1cc(Br)c(O)c(C=NCCCNc2ccc([N+](=O)[O-])cc2Cl)c1 2297534184 AXSQTWVFLFZUPZ-UHFFFAOYSA-N 426.698 4.946 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2298495864 GNHHHDSBXATJRK-GXYOHSSGSA-N 434.541 4.509 30 10 IJEE CC(C)N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317335696 KHEYJVYCTXPKEP-OUKQBFOZSA-N 432.370 4.751 30 10 IJEE COc1ccc2ccccc2c1C=Nn1cnnc1SCC(=O)Nc1ccc(C)c(C)c1 2321230238 XBXNLHZDPWGFKY-UHFFFAOYSA-N 445.548 4.670 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2321856487 IUJIOWBYTVUOKX-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE CCn1cc(C=C2Oc3cc(OC(=O)c4cccnc4)ccc3C2=O)c2cc(OC)ccc21 2322807650 SMBWEQRWZJTIRR-UHFFFAOYSA-N 440.455 4.900 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCCO)c(OCC)c1 2322916733 AHYSGDNKHULRGS-UHFFFAOYSA-N 434.916 4.803 30 10 IJEE COc1cc(C=NNc2nnc(-c3ccccc3)c(O)n2)ccc1OCc1ccc(C)cc1 2323283461 RFMWTARHJSNGLJ-UHFFFAOYSA-N 441.491 4.586 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C[C@@H](C)O1 2324017403 MPOJKFAOYIUJMO-BETUJISGSA-N 434.319 4.924 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2OCC)cc(OC)c1OCCCO 2324494775 HNWVLKBXVHILRY-UHFFFAOYSA-N 440.536 4.878 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)c(OC)c1 2324946455 XEZAZHJFOYRCAE-UHFFFAOYSA-N 449.459 4.547 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)cc1 2325449054 MSVVXITYCFKQJV-UHFFFAOYSA-N 441.483 4.563 30 10 IJEE CC[C@@H](C)c1ccccc1NC(=O)C(=O)C=Cc1ccc(OCC(=O)N(CC)CC)cc1 2325565174 HCQIKVCGPHDPER-LJQANCHMSA-N 436.552 4.668 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(OC)cc1)C2=O 2325737100 KIVIJHOQXJZPGG-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1[N+](=O)[O-] 2325882813 JQZGAJMUFCUCSB-UHFFFAOYSA-N 447.520 4.955 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326269430 YHSKNCOSBVDCAS-UHFFFAOYSA-N 428.533 4.950 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2329112683 BCMBZDPPCYOPBI-UHFFFAOYSA-N 428.945 4.700 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)cc1 2329258413 GMDYQFOHIWCMMP-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2330777810 OGMHVIDBMJHEDM-UHFFFAOYSA-N 449.967 4.895 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)c(OC)c2)cc1 2330992323 GYRGGFQZBDZSQR-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OC)nnc2C2CCCC2)cc1 2331080319 GIHZHUQPWLVAJY-UHFFFAOYSA-N 430.574 4.652 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2OC)cc1 2331496364 ORCARAPZKNUWHX-UHFFFAOYSA-N 449.580 4.730 30 10 IJEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332188497 MCJLACHZNILXPN-UHFFFAOYSA-N 430.471 4.800 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2369625115 NFMQYPVHWZSSHU-JAYJDBRPSA-N 447.428 4.768 30 10 IJEE Cc1cc(CNCC[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369694639 SRCKYELXSYBOLH-RDGATRHJSA-N 448.460 4.542 30 10 IJEE CCC(CC)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(OC)c1 5787528 LMHXWKAWPFYCDH-ZPKJPUMHSA-N 425.554 4.844 30 10 IJEE Cc1ccc(NC(=S)/N=C(/NCc2ccco2)Nc2nc(C)cc(C)n2)c(Cl)c1 14157302 SNQZECZKLCPWMZ-UHFFFAOYSA-N 428.949 4.603 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccc(Cl)cc2)NC2Cc3ccccc3C2)n1 14159525 JAXRHHZWNNIELF-UHFFFAOYSA-N 434.931 4.504 30 10 IJEE CCSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CC(C)(C)CC1=O)N2 17098669 WCHZQTAWBOFAKJ-INIZCTEOSA-N 433.921 4.610 30 10 IJEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Br)ccc2F)cc1 21256200 MLBUMJFSIYZOEI-WMLDXEAASA-N 428.301 4.901 30 10 IJEE CCc1ccccc1N/C(=N/C(=O)c1cccc(C)c1)NCCc1c(C)nn(CC)c1C 32973334 ARFQHCXFEYCIPL-UHFFFAOYSA-N 431.584 4.831 30 10 IJEE COc1cccc(C(=O)CSc2n[nH]c(N/N=C(\C)C34CC5CC(CC(C5)C3)C4)n2)c1 59310670 ZONJPQNHVSZQTP-AFUMVMLFSA-N 439.585 4.793 30 10 IJEE CCCOc1ccc(/C=N\n2c(S)nnc2COc2ccccc2)cc1Br 169914313 VCGYSIQETCAPMX-MTJSOVHGSA-N 447.358 4.579 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921739 PCFQIYBFELWZJL-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)c1 169964964 JLUNBBKKBPNMLK-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccccn2)cc1 169994869 PDTAWVVOYBQWTN-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE CC(C)COc1ccc(C2=C(N3CCC[C@@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170011708 NIDCPZCCJTUNLX-LJQANCHMSA-N 443.547 4.609 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccncc2)c1 170016600 ZYNXPNUVPSLQOU-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)cc1 170031153 JSNYCQZDAYGFNT-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1c[nH]c2ccccc12 170077257 ZLCUIOBNUKZINW-VWLOTQADSA-N 437.499 4.660 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170096428 ZDRNIKQABQNARW-OAQYLSRUSA-N 437.879 4.763 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(N(C)C)cc1 170129706 POOPNIZVNVCKIM-DEOSSOPVSA-N 448.563 4.846 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)cc1 170157834 ZGRLERFUURFTMN-RCDICMHDSA-N 447.512 4.863 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)cc1C 170173305 JOYYYLRWVFXSFI-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccn2)c1 170182327 MTCPZFYJWBTJMO-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccn1 170182353 NQELHOAMMFBLJP-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccnc2)c1 170185848 KZFLNCFOBIDBIC-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)cc1 170203064 PDOBIZVJGBUQMW-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 170239939 KOBXMXDBAWVFEC-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)c1 170240113 MLDRXKAIFLZSIB-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccco1 170284301 POVXNFRCNOJOHN-IBGZPJMESA-N 438.823 4.933 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)cc1C(C)C 170292326 ZDOFNHOGDPRMIE-QFIPXVFZSA-N 432.476 4.585 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C[C@H]1CCCO1 170315970 HFSZICJZLXXXPR-UYAOXDASSA-N 441.549 4.601 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1sccc1C 170317837 PBBDROKILQJJGN-INIZCTEOSA-N 440.348 4.978 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc2c(c1)OCCO2 170325822 CNSZMLQWEHLJAA-QFIPXVFZSA-N 433.460 4.582 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(O)cc1)c1ccco1 170341737 GDWSYHPHBNYHKX-GOSISDBHSA-N 429.350 4.787 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)c1nc(C(=O)OCC)cs1 409813578 CFUTXDLRYVUJEY-UHFFFAOYSA-N 447.969 4.858 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)o1 442164634 WCGNYLBNATWXON-UZLBHIALSA-N 444.491 4.585 30 10 IJEE N#Cc1ccc(C2=CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@H]3CCOC3)CC2)cc1 461708366 XDGMWLLWSHHPCK-LJQANCHMSA-N 445.954 4.800 30 10 IJEE N#Cc1cccc(CS(=O)(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 490409715 FJOOHKBERYELAH-QHCPKHFHSA-N 440.952 4.589 30 10 IJEE C=CCC[C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccccc1 507199678 KLASNOJOJJCYTQ-FTJBHMTQSA-N 432.608 4.781 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](c2ccccc2OC)C1 508479837 BVSWXLDAACFYCS-MRXNPFEDSA-N 439.357 4.896 30 10 IJEE C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 508815895 FDPVUVQCHJTLLG-GOSISDBHSA-N 435.576 4.739 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 508867319 PMDDIUJJVCFEDU-LEWJYISDSA-N 440.588 4.572 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508894629 LPPDGDMATFLVMV-HNNXBMFYSA-N 442.951 4.684 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)cc(Cl)c1OC 526490984 IYGCEZUJQCABHY-NRFANRHFSA-N 447.878 4.681 30 10 IJEE COc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccc(C)cc3)C2=O)c1 526659709 BMUMCPIDKRBQGD-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1cccs1 551086272 LHQCSNYMSMHYCA-CQSZACIVSA-N 436.566 4.702 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 557994617 RQCIZDUGFOUXHR-AREMUKBSSA-N 433.511 4.576 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CC#N)c1ccc(OCc2ccccc2)cc1 586215065 RKJXSOLPWHYEKI-UHFFFAOYSA-N 436.533 4.610 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)c2cccc(OC(F)(F)F)c2)cc1 586256267 SCFSMTBEIRDWHF-UHFFFAOYSA-N 442.459 4.871 30 10 IJEE CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)n1 598954869 DGTVUUSYSVDCEW-QGZVFWFLSA-N 445.544 4.840 30 10 IJEE Brc1cc(I)ccc1N=C1N[C@H](C2CCC2)CS1 717649040 KKZAGNNUTQZQQP-LBPRGKRZSA-N 437.144 4.546 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 730151227 ICGBQJKILRJVTC-QPEQYQDCSA-N 432.432 4.517 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731482882 AWRNXBGMQRPXLG-SZNDQCEHSA-N 444.000 4.534 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 733196438 BKCIZFQTXHSEDW-QFIPXVFZSA-N 445.519 4.963 30 10 IJEE COc1cc(-c2nc(COC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cs2)ccc1O 733460818 RDVRYHKVPLAHTN-NRFANRHFSA-N 438.505 4.543 30 10 IJEE COc1ccc(COCCCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740043582 ICCOVNJDLXAJSR-UHFFFAOYSA-N 435.549 4.701 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cccc(C)c1C 742214158 ATRGPLZWEFWECQ-QFIPXVFZSA-N 444.560 4.549 30 10 IJEE C#CCN(C(=O)c1sc([C@H](C)OC)nc1C)[C@@H]1CCOc2ccc(Br)cc21 749390698 XCGAUJNTWNEHIK-XJKSGUPXSA-N 449.370 4.521 30 10 IJEE CN(C)C(=O)Nc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(Cl)c1 772090916 DJGAFANDZDEBOK-UHFFFAOYSA-N 438.940 4.964 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 781448369 OVLHITJOGJEFDW-OAQYLSRUSA-N 437.499 4.767 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CCCN1C(=O)OC(C)(C)C 790481984 HJSRYTQMDHFVSN-RUZDIDTESA-N 438.572 4.615 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)ccc1OC 798109425 UVYWECPTOMPUHM-IHPCNDPISA-N 427.932 4.775 30 10 IJEE CN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(C(F)(F)F)c1 1083980834 FRDFHYOUYKZOOQ-HNNXBMFYSA-N 441.862 4.949 30 10 IJEE CN(N=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1 1084180101 BIESENIHCRBUSK-UHFFFAOYSA-N 438.300 4.976 30 10 IJEE CC(C)NC(=O)CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084288425 LDBVNOWWYIOAQQ-UHFFFAOYSA-N 442.548 4.765 30 10 IJEE NC[C@@H]1CCC[C@H](C/N=C(/NCc2cccc3ccccc23)Nc2ccc3c(c2)OCO3)C1 1088703118 DMOGGEKIYVSAHC-UXHICEINSA-N 444.579 4.891 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1 1125842405 OAYVFSJEEJCSMD-UHFFFAOYSA-N 446.572 4.545 30 10 IJEE CC(C)(C)n1cc(C#N)c(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1 1126758315 FKKYWLNKMWXTDK-UHFFFAOYSA-N 433.459 4.833 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 1128193519 MPODPPIRZIDJRR-UHFFFAOYSA-N 439.899 4.971 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc3c(c2)C(=O)CC(C)(C)O3)CCCN1C(=O)OC(C)(C)C 1128733694 RBBFPAQOCZTSAZ-XMMPIXPASA-N 429.513 4.682 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](C)Cc2ccc(OCC)cc2)CCCN1C(=O)OC(C)(C)C 1129625414 AZGKUHWBIOPJIY-KBMIEXCESA-N 430.589 4.726 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)N2CCc3cc(C#N)ccc32)[C@H]1c1ccc(Cl)c(F)c1 1129758391 BZGUQKKXDWJRGY-VGOFRKELSA-N 439.918 4.628 30 10 IJEE C=CCc1cc(C(=O)N2[C@H](CNC(=O)OC(C)(C)C)CC[C@H](C)[C@@H]2C)cc(OC)c1OC 1131578137 YRVBIAGQXSBXPC-ZWOKBUDYSA-N 446.588 4.586 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccccc1 1134861922 KNXDCUQGSZZTRR-WWOZWPLTSA-N 432.586 4.653 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc3scnc3c2s1 1158101465 FHNMLGCCNBIEFN-LLVKDONJSA-N 438.962 4.880 30 10 IJEE CN(C)c1cccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)n2N)c1 1188822863 HVNMDKFRUNXHPT-UHFFFAOYSA-N 426.549 4.556 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccn(C2CCSCC2)n1 1206203410 PDSGYZPRBZQEPI-UHFFFAOYSA-N 437.363 4.923 30 10 IJEE N#CCc1ccccc1S(=O)(=O)NCC1(c2ccc(Br)cc2)CCCCC1 1210110656 BBQCSAACTHCZCD-UHFFFAOYSA-N 447.398 4.696 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc(OC)cc1)C1CCC1)c1ccc(Br)cc1 1252458291 JKGHTZHHMRZQMY-NHCUHLMSSA-N 427.342 4.973 30 10 IJEE CCn1c(NC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)nc2cc(C#N)ccc21 1266984582 AWVJNCCWUIDCKM-UHFFFAOYSA-N 447.539 4.590 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCc1nccs1 1286360000 BAZOEAMJQODTPM-KRWDZBQOSA-N 444.004 4.847 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1Cc1cccnc1OCCCC 1286523810 DRWJTCUSMNQKEU-AREMUKBSSA-N 447.558 4.622 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCCSC)nnc1C1(c2ccccc2)CCC1 1286566198 MPQGBRLLVQVEIS-IFMALSPDSA-N 440.657 4.919 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)C1CC1 1286567822 XURILSZVFWMYAA-NRFANRHFSA-N 433.394 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1286752596 APGPMJQRHITUHZ-LJQANCHMSA-N 430.499 4.576 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2csc(CC)n2)cc1 1286794555 KIDZSRXINVNBRW-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2N(C)CCCC2(C)C)cc1 1289860508 AYVGTKODXKCUOD-FPOVZHCZSA-N 440.661 4.595 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)n[nH]2)c1C 1292562183 CVEUBNYHTVVDEK-UHFFFAOYSA-N 425.492 4.559 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C 1295674087 RYKVLWJKPFJHAQ-UHFFFAOYSA-N 428.330 4.716 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1300372789 LCJOEBSPNGZXPP-JOCHJYFZSA-N 437.657 4.747 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1ccsc1 1300606194 IOEOJFOKZOFPIK-WAIKUNEKSA-N 440.638 4.560 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CC=CCO2)CC1 1301114565 UEAVJXUBITWNKL-LJQANCHMSA-N 443.389 4.764 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1nccs1)c1ccccc1 1301165442 HBLYJZUCSPCCTH-OAQYLSRUSA-N 430.581 4.717 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@H]1CC 1301273623 TXVGYQTWXZZWPQ-UYAOXDASSA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCN1CCC[C@H](C)C1 1301351628 WYKPIQNFFXEHFM-FQEVSTJZSA-N 425.596 4.999 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(OC)CCCCC2)C1 1301557919 XTGQSNZZNVEZSQ-NRFANRHFSA-N 445.007 4.653 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1305658577 APNHXMXVWNXXSO-WRALFONMSA-N 448.659 4.928 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1307760208 IZADKPIQRDSEGS-ZDUSSCGKSA-N 430.854 4.849 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cccc(CN2CCC(C)CC2)c1 1308254711 RJZNBAXYOKZVAM-UHFFFAOYSA-N 441.413 4.983 30 10 IJEE C#CCN(Cc1ccc(F)cc1)Cc1cc(Br)c(O)c(Br)c1 1308589321 CHABPNWGRJSTHN-UHFFFAOYSA-N 427.111 4.692 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(C)c(C)s2)c1 1309006621 DUBZTVLWCRMHEA-UHFFFAOYSA-N 428.531 4.928 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)c1ccc(F)c(F)c1 1309417580 CYPVATWDBMEZAR-INIZCTEOSA-N 436.705 4.976 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)cc1 1310196971 ZMGNLUXFYPEDDB-AREMUKBSSA-N 433.552 4.705 30 10 IJEE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1310888038 BVKMNKZHVPFXKT-QLFBSQMISA-N 442.972 4.834 30 10 IJEE CCOC(=O)c1c(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c(C#N)cn1CC 1310892661 FJMWBDZUODZGNX-QHCPKHFHSA-N 442.519 4.736 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc3ccc(C)nc23)c(C(=O)OCC)c1C 1353746741 SAMVQUFNFCTFKT-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)(COC)CC1 1358904544 GPHHGGSEARVTQG-LJQANCHMSA-N 428.552 4.614 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSC(C)(C)C1 1358904715 KMVPTCABNRGYCZ-LJQANCHMSA-N 442.629 4.952 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CCC 1358912797 YSRHUSJEPUHVHF-UXHICEINSA-N 431.625 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC(F)(F)C1 1358971753 HZWUJIIDVBTJLR-DLBZAZTESA-N 428.552 4.640 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359125904 YHLAUMMPYJTEBT-ASKKUZCQSA-N 427.420 4.793 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359169184 XFIZAHWPCRJUME-QHCPKHFHSA-N 437.632 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](CCC)C1 1359184143 DKOPWATVHFXACB-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 1359184301 KOXCQQWBHJZDKR-OAQYLSRUSA-N 445.409 4.778 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1C 1359196941 YFCZPYNDEILKRV-WIYYLYMNSA-N 434.588 4.999 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCSC(F)(F)F 1359263632 HRBREDQJANYKGA-AWEZNQCLSA-N 432.537 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(C(C)(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1359266970 QPLKRTMNBWVDKG-LJQANCHMSA-N 431.625 4.934 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1359274510 PMQWDVLXUFQGTC-HXUWFJFHSA-N 449.565 4.695 30 10 IJEE C#C[C@H](NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccc(Cl)cc1 1436649297 SFBXXWNNNHPQEI-VQTJNVASSA-N 431.761 4.730 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccnc3ccccc23)CC1 1449889157 MQJQJVZHXONQLA-OAQYLSRUSA-N 443.975 4.977 30 10 IJEE C#C[C@@H](NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccc(F)cc1 1450082205 RGBIPPLRWAHKNY-CTNGQTDRSA-N 439.531 4.731 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1OC 1452655360 JKJQFSFVBAAIKH-YRNVUSSQSA-N 429.520 4.623 30 10 IJEE C=CCC[C@@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)c1ccccc1 1455873939 ARXWDQOYKBYLLO-KZNAEPCWSA-N 426.479 4.650 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 1458041173 UTBOILQJNBULTR-INIZCTEOSA-N 439.606 4.993 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(F)cc3)C2=O)nnc1-c1ccc(Cl)cc1 1458782902 RNKFKEYASXFXSD-GOSISDBHSA-N 428.920 4.821 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 1463102743 ZIPKPGXNMPWIKS-FQEVSTJZSA-N 426.420 4.705 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3cccc(Cl)c3Cl)ccc2c1=O 1465305265 ABQBSVCCVBROCM-NSHDSACASA-N 434.348 4.669 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 1469246748 JXYIKSNJSOSHKX-NHCUHLMSSA-N 448.032 4.779 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1)C(=O)OCC 1471580315 FVNTYXFDYYVUFI-IBGZPJMESA-N 431.916 4.555 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C/C(=O)OC)cc2)nnc1-c1ccc(F)cc1 1472930842 LZIOFOSANSUNKL-AWNIVKPZSA-N 439.512 4.628 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1477675931 JZTYJZVZIBPVGC-URVUXULASA-N 433.637 4.739 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@](CC)(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1478897114 VHEXRQIDOKGSRG-AVRDEDQJSA-N 449.389 4.667 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccccc1 1479190566 KMSAZQHECLDBSE-FXAWDEMLSA-N 430.570 4.557 30 10 IJEE C[C@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1493843658 DFHCVQFLYYPXAN-INIZCTEOSA-N 441.004 4.652 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccccc1)C1CC1 1507520974 UFYZKHYGXVPMEK-DNVCBOLYSA-N 438.373 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](OC)[C@H](C)CC 1507545165 ITAIDLZQMKAJRL-VCBZYWHSSA-N 439.387 4.683 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(CC)CC)cc1 1507547721 PQYLTCXHIMIZHJ-WWPVKYPJSA-N 437.632 4.549 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(F)cc1Cl 1507547933 QNMKXVDARMXJER-QKYXUNIQSA-N 432.971 4.690 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507646210 RFENDYGSPNOMKW-RTBURBONSA-N 437.469 4.860 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1507747229 FYYOEFGTMYXXPZ-HZPDHXFCSA-N 433.419 4.556 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2CCC[C@@H]21 1507790380 HZOABZOASDMXKW-ROUUACIJSA-N 431.378 4.707 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1507826820 DTPMTSYLEYVKOI-DEYYWGMASA-N 440.535 4.864 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1507853146 AONLDJXAHIOINR-MOPGFXCFSA-N 436.991 4.626 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN(C)[C@@H](C)CC)CC1 1507880097 HGWJQXPGNVHSFO-SFHVURJKSA-N 446.437 4.903 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1507909716 PUXRJZIARWQALI-LJQANCHMSA-N 436.478 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1507915011 RTNTZAIQMRFCIC-UHFFFAOYSA-N 447.986 4.648 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCN1CCCC(C)(C)C1 1508007972 JVYWGUDUZWVIJM-FQEVSTJZSA-N 443.661 4.548 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1c(C)noc1C 1508012490 YGYSMZDRFNKATD-UHFFFAOYSA-N 434.363 4.601 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1Cc1ccc(NC(=O)c2ccco2)cc1 1508018290 BXAXPBPAXFDMDP-UHFFFAOYSA-N 433.556 4.939 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1508037213 GQHNZFUZTGDCAF-GOTSBHOMSA-N 440.632 4.988 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1512139854 CRTRTDRUJFSDGL-XXBNENTESA-N 439.579 4.733 30 10 IJEE N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 1516661976 HFLGRQNYZZQRMD-XMMPIXPASA-N 449.507 4.976 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2ccc(Cl)cc2)c(C(=O)OCC)c1C 1524509659 RQZOSMBITOWOAL-UHFFFAOYSA-N 435.929 4.801 30 10 IJEE CC[C@@H](C)N(CCc1ccccc1F)C(=O)COc1ccc(C#N)c(Br)c1 1532898174 HTDNYUFKBKKOQG-OAHLLOKOSA-N 433.321 4.708 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 1535742171 CQPGWFWYXIEXTB-UHFFFAOYSA-N 434.902 4.854 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)C(C)(C)C 1538021801 HHDOKQOEZZBBBI-UHFFFAOYSA-N 448.592 4.604 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H](C)C1CCCCC1 1539611713 DBMCTPAZDWUVEQ-VCOUNFBDSA-N 445.652 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1 1539620912 OFEYSTLCSVWCJN-GGAORHGYSA-N 448.615 4.594 30 10 IJEE C=CCC[C@@H](C(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1539893459 KWZVALIDYQPEHI-OAQYLSRUSA-N 430.589 4.516 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1539902414 GZQNRZARRYQQMN-YPAWHYETSA-N 435.616 4.670 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccc(C)c2)CC1 1539971350 DLXGLUXQGLNTRQ-UHFFFAOYSA-N 436.629 4.625 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@@H]1CC 1540028209 AVUQYFMJWRBZMV-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1540126646 MOJUYYBOOJBUCJ-UHFFFAOYSA-N 437.588 4.605 30 10 IJEE C=C[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 1543360648 DFKHIRLWJSAAQW-FQEVSTJZSA-N 427.472 4.847 30 10 IJEE CCn1c(COc2ccc(C)cc2)nnc1Sc1ccc(C#N)c(Br)c1 1559132712 AZNBZUOJFXYKLT-UHFFFAOYSA-N 429.343 4.971 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C 1562787438 QBFJVQHCKXZZPV-UHFFFAOYSA-N 436.961 4.751 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(F)cc1 1564858971 YEZAEMFDQPOOPN-FCHUYYIVSA-N 439.531 4.845 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@H](CC)c2ccccc2)CC1)c1ccc(Br)cc1 1564999247 IRAPXRKOJQXEAB-FCHUYYIVSA-N 440.385 4.602 30 10 IJEE C=CCc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)cc(OC)c1OC 1566277372 VLWIXSUUAZJWBV-NRFANRHFSA-N 437.561 4.870 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCO[C@H](C)C1 1566426772 WSZWDVBWWBXTDO-RRQZXNHTSA-N 448.563 4.544 30 10 IJEE CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1ccccc1SCc1ccc(C#N)cc1 1570599689 DHOHTRMPUWMDOZ-SANMLTNESA-N 428.557 4.757 30 10 IJEE Cc1cc2c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)n[nH]c2cc1C#N 1583608826 HNTHBBCEQRLUJO-SFHVURJKSA-N 439.903 4.601 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1585904982 OIRPDPGYKZTYOR-FQEVSTJZSA-N 439.468 4.632 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CCOC)CCCCC1 1587921927 MTPINNRHLRBKEJ-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](SC)C(C)(C)C 1588200148 DXPUEIGEANHBKO-IBGZPJMESA-N 432.996 4.978 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC2CCCC2)cc1 1588288566 CGMXXDYRWDRBNN-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1589242629 CYPVVYFFQJIDBC-FDJWOJMMSA-N 449.643 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC 1589506663 ZIYDNBRBVZWUOL-MJGOQNOKSA-N 433.394 4.843 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1593782182 IUUMIMMPGKLKEC-LJQANCHMSA-N 437.975 4.960 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC2CCC(OC)CC2)CC1 1594128639 SXJNVDVSTUFVNN-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1594767259 QGQAENJKDQVVQG-PKOBYXMFSA-N 432.037 4.863 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1sc(C)nc1C 1595200612 KLZTXMDELZHNIX-UHFFFAOYSA-N 432.597 4.931 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)c(F)c1 1595250554 GPNVRNSETVJTCO-UHFFFAOYSA-N 447.514 4.673 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCC(C)=C(Br)C2)cc1 1595639574 CLKJCBUSENQPJX-UHFFFAOYSA-N 443.389 4.723 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C(C)C)CC2)C1 1595701224 YOEYYZIGNBBJCV-GOSISDBHSA-N 430.980 4.825 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCC(=C)CC)ccc1Cl 1597397010 ZXROFVHFYZKHRL-UHFFFAOYSA-N 436.936 4.556 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)c1 1597425808 INIBRUCXBVJOFA-UHFFFAOYSA-N 440.496 4.752 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(CC)C2CCCCC2)nnc1-c1cccc(OC)c1 1613596525 IBLUYKWWMYCXTJ-QGZVFWFLSA-N 428.602 4.802 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 1616735244 UGRDXMXTJCMOCF-QNGOZBTKSA-N 427.903 4.823 30 10 IJEE C#C[C@H](N[C@@H](C(=O)Nc1nc(-c2ccc(CC)cc2)cs1)c1ccccc1)[C@H]1CCCO1 1617358865 CMPIKIUIQGLNSO-QPTUXGOLSA-N 445.588 4.823 30 10 IJEE C#CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)OC(C)(C)C 1628412001 JKKMKXQLPIIQBE-UHFFFAOYSA-N 438.572 4.595 30 10 IJEE CC(C)c1ccc([C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)NC(=O)OC(C)(C)C)cc1 1628499894 ANFMDDKKRLFUEW-CPJSRVTESA-N 425.573 4.966 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](CCCc3ccccc3)c3ccccc3)CC2)cn1 1629636082 GUNNIGHBCOCFJL-SANMLTNESA-N 439.563 4.549 30 10 IJEE CC[C@]1(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)OCCc2ccccc21 1632057966 CTEQBVJEVUGFPE-RUZDIDTESA-N 431.561 4.964 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1632411741 APFATJCLQCVVDA-UPVQGACJSA-N 440.609 4.882 30 10 IJEE C#C[C@H](NC(=O)c1cccc(CSc2nccn2C)c1)c1ccc(Br)cc1 1636541357 FACAENAPLZWPTM-IBGZPJMESA-N 440.366 4.579 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 1638064589 HZJBMIIDRCYUID-WIYYLYMNSA-N 440.609 4.989 30 10 IJEE C=CC[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1)c1ccccc1 1642117936 FZMHMWDENVAKGF-RJGXRXQPSA-N 442.600 4.657 30 10 IJEE N#Cc1cccc([C@@H](NC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)C(F)(F)F)c1 1644213582 FVJIAMRLDVQXPK-MRXNPFEDSA-N 439.315 4.864 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@@H](c3ccccc3C)C2)cc1 1644478145 ADZUSCVJBUBVPA-OAQYLSRUSA-N 442.563 4.711 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc21 1644646989 FIGFTCVEHWZXED-LJQANCHMSA-N 445.523 4.627 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2(CCC(=O)OC)CCCCC2)s1 1652548976 SSMKRZZQKDTGMJ-UHFFFAOYSA-N 431.023 4.611 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)cc1 1658658936 GFRFQFYXGJVECM-GOTSBHOMSA-N 429.564 4.816 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1663231767 FZGJNELUYTZVRJ-UHFFFAOYSA-N 447.000 4.917 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1Cl 1668654084 DJZHAANHUJFDIO-UHFFFAOYSA-N 429.910 4.560 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCc2cc(Cl)cc(Br)c2C1 1668990672 RAZNZPVLZGMTQF-UHFFFAOYSA-N 437.696 4.844 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 1670779764 ITZDMGJZIYCEMS-PMACEKPBSA-N 431.458 4.595 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(I)cc1OC 1671721321 YLPRPOMRQWSFPL-MRXNPFEDSA-N 436.293 4.609 30 10 IJEE C#C[C@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C)c1ccc(Cl)cc1 1674020410 KCGXRCTWVROFLY-XLIONFOSSA-N 445.991 4.835 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 1674362536 AXLZOEFJNZOMQE-OXJNMPFZSA-N 448.405 4.944 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)CC1 1677087118 LQSADWWPTURGHG-UHFFFAOYSA-N 432.467 4.899 30 10 IJEE C=C(CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)c1ccccc1 1677890927 FRBPWHROLCVNOA-UHFFFAOYSA-N 429.358 4.510 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(Cl)cc1F 1682366817 IWZJPFJHCLCTGC-SFHVURJKSA-N 440.733 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CCOc1cccc(C(F)(F)F)n1 1690260690 UDFZBCVHVLWBIR-UHFFFAOYSA-N 431.462 4.840 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 1690277064 AHUSXKMKSPULFE-KRWDZBQOSA-N 437.357 4.674 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@](C)(O)C(C)C)CC1 1690402558 HHNFGAAFTZLUAM-LJQANCHMSA-N 439.423 4.579 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C2CCC1(C)CC2 1690451886 SEXCZHPIURDHAE-UHFFFAOYSA-N 427.980 4.739 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@H](C)C1)C1CC1 1690537317 MLJUTXNELMBWIQ-UGKGYDQZSA-N 437.632 4.922 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1OCCC1(C)C 1690585375 JGFRYKDXJNYVFE-GOSISDBHSA-N 431.378 4.701 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCSC2)C1 1690683276 GKCSFILSQGDEAV-DEOSSOPVSA-N 426.630 4.813 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1692674280 ICJVBVNQRWHNSI-ROUUACIJSA-N 435.597 4.761 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1696388214 DHWIKPZBJLRSHD-MOPGFXCFSA-N 429.515 4.505 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C(C)C 1705516532 DADGWRDZBNIOOC-OAQYLSRUSA-N 443.636 4.821 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705520719 DHFIZYNFCIEBBC-IFMALSPDSA-N 438.616 4.962 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCc2ccc(Cl)nc2C1 1705690290 PUEOTFXIGJZNMT-UHFFFAOYSA-N 436.785 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)C1CC1 1705694809 FMLBMXJDGBGNOG-LIRRHRJNSA-N 449.368 4.817 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cc(C)nn1C 1705719991 SDNJQEJNOMOLQJ-UHFFFAOYSA-N 436.604 4.647 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(C)c(OC)c2)CC1 1705772089 MMHHCSLPAKDDPC-FYYLOGMGSA-N 438.616 4.913 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1705783517 JYRVFSXSCPCJJI-JOCHJYFZSA-N 444.627 4.577 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nccs2)C1 1705803441 QNUNGKOXVHGBPH-SFHVURJKSA-N 429.977 4.989 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1ccco1)C1CC1 1705849291 IULDLDKQXABPRQ-DFBJGRDBSA-N 436.556 4.690 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC[C@@H]1C 1705861737 NHDPLKBJFFYKOD-LADGPHEKSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCSc1ccccc1 1705865966 CUBGUNFJWGTUTL-GOSISDBHSA-N 426.611 4.828 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCOC[C@@H]1C)C(C)C 1705867961 YLXWMKDXBSLFGT-UGKGYDQZSA-N 444.023 4.522 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)CCC(C)C 1722304500 YMRWSVMKVNKUBC-FNZWTVRRSA-N 440.632 4.800 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCc1csc2ccccc12 1722376873 GGSXXILYPZRTCN-UHFFFAOYSA-N 431.952 4.524 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1nc2c(s1)C[C@H](C)CC2 1722408618 NFAPPBMDOHBEFT-OAHLLOKOSA-N 425.989 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC1(OC)CCC1 1722466817 GCGHBUDLOBWPRB-PXDATVDWSA-N 436.600 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](CC(C)C)C1 1722502760 UHPDUZAKDFYRIZ-REHUZNOOSA-N 442.579 4.850 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H]1CSC 1722586809 AXLQMAUVTDZKMX-SFHVURJKSA-N 428.602 4.650 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1Cc1cccs1 1722620866 VPJVHJOEHOXWRJ-KRWDZBQOSA-N 441.626 4.509 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722683341 HBZPPKXLKYTSKR-QFIPXVFZSA-N 436.522 4.958 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCc2ccccc2F)CC1 1722690470 HWBOALZBRYLYPI-IFMALSPDSA-N 442.579 4.707 30 10 IJEE CS[C@H](C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C#N)CC1 1731044947 FMDQGGPEAMXLAT-GOSISDBHSA-N 427.618 4.780 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCC1CCOCC1 1731099882 DCXDDCCPJZQWJD-GOSISDBHSA-N 427.618 4.601 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(F)(F)F)C1 1740566185 PWXIRLAAOBDNEB-SFHVURJKSA-N 442.489 4.917 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccc(Cl)s1 1740587641 QMROEHGOJVVHEG-UHFFFAOYSA-N 436.972 4.896 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(CC)CCCC1 1740636428 ZGIBEMKHEBIXQV-UHFFFAOYSA-N 434.584 4.784 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCCN1CCC(C)CC1 1740677324 IONTYKAIMVBOTA-UHFFFAOYSA-N 448.590 4.564 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(N(C)C)CCSC1 1740770292 MZDKEVNWFLSLPA-NRFANRHFSA-N 438.016 4.577 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1 1740788276 QXVYJYGWNCSVGR-NQIIRXRSSA-N 448.608 4.728 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@@H]1C 1740789889 MPKQXKBISXEONM-OALUTQOASA-N 428.577 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1740808157 ZXMCKCPAQNIWOB-QGZVFWFLSA-N 430.339 4.749 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1740842597 FVLALZPILKSQFK-OKYOBFRVSA-N 442.526 4.698 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740859603 NZLSTMJBIPBGHE-UHFFFAOYSA-N 429.572 4.773 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CC2CCN(Cc3cccs3)CC2)C1 1740972255 FURXVDGMAUPDHY-PZJWPPBQSA-N 443.661 4.547 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1N(C)CCCC1(C)C 1748641406 GQMZMYBAXQUSSU-BBTUJRGHSA-N 444.023 4.650 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@H]1C(C)C 1748773276 VOKIMNOTAWWADL-ZVDOUQERSA-N 445.007 4.819 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(Cl)nc1 1748872815 GMCUQFXZEXZDQY-UHFFFAOYSA-N 431.971 4.802 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1cccc(OCC(C)C)c1 1749071567 IYAYQQDSLMAWGE-RUZDIDTESA-N 449.624 4.709 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCc1nc(C(C)(C)C)cs1 1749072728 UTUHXEPPFSKDIQ-XMMPIXPASA-N 425.646 5.000 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ncc(CC)s1 1749132692 CDBZCNHSQZXOJK-LAUBAEHRSA-N 443.642 4.567 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1csc(CC)n1 1749137231 XBRUBNWFQFQHMX-PGRDOPGGSA-N 429.634 4.647 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(CC)C1CCCC1 1749139651 HYSZCENQKJHCHT-WZONZLPQSA-N 428.552 4.746 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCCOC(C)C)CC1 1749294164 QFCZKHHZTLSOJH-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCc2cccnc21 1749473390 HCELDLBKFFWRGN-SFHVURJKSA-N 438.373 4.845 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C(C)C)C(C)C 1751953577 DSNAVYIFFODOCS-UHFFFAOYSA-N 449.603 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1CCN(C2CC2)CC1 1760106063 XTOKTDZDSIGUOL-OAQYLSRUSA-N 449.643 4.702 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1760198105 XOZDHSWLUPDWJD-NFBKMPQASA-N 430.552 4.605 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](SC)C(C)(C)C 1760209325 ATGDDQDVMRILCI-GHTZIAJQSA-N 442.604 4.798 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](OC)C(C)(C)C 1760237455 KGDSGXXZQFTBGY-QFIPXVFZSA-N 426.605 4.810 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1760342321 GSIONTJLQNRALJ-MJGOQNOKSA-N 429.996 4.696 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2sc(C)nc2C)CC1 1760382492 REJJJVDWEZXGCK-MRXNPFEDSA-N 427.549 4.835 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCC2(OC)CCC2)CC1 1760382597 URENJPSEEPYASD-HXUWFJFHSA-N 440.588 4.932 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1)c1ccccc1 1760418534 UHMPATRTWMDFHD-XZOQPEGZSA-N 435.616 4.648 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)(COC)CC1 1760420994 ATSBOJXBZTYHBN-UHFFFAOYSA-N 439.604 4.756 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccs2)CC1 1760422509 IWAADYQXKVSSAN-UHFFFAOYSA-N 438.557 4.598 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2cccc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1760444857 SSBCJIQZKYIZTG-ZJSXRUAMSA-N 428.552 4.766 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN(C(C)C)C1 1760490945 OGENENMIBRRKCP-NRFANRHFSA-N 445.615 4.634 30 10 IJEE CCC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1764426697 DCKMNIWOGRAYDJ-XMMPIXPASA-N 425.552 4.921 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2=NOC(=O)c1ccccc1 1772722266 BVLWSHOLLFSGHO-RPWUZVMVSA-N 435.480 4.963 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)n3ccccc23)cc1 1858244093 FGBNPJCBJPYPEW-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)N(C)CCCC)c1 1858725649 TWUZLUOIUPACKN-UHFFFAOYSA-N 438.572 4.809 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 1861160475 GDOTTWZEAHIZAW-JOCHJYFZSA-N 429.649 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 1862384838 BNOMIWWHOFCJOO-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432677 KKOMPTVNSHORKD-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862445616 ZSKJAYHXHBPUGJ-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862494811 GSFAFOJTOJDPBH-OAQYLSRUSA-N 438.480 4.686 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2F)ccc1F 1862503082 PAWPZPHAXCXAEQ-NRFANRHFSA-N 438.405 4.586 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CC2)cc1 1862524971 RIHKGRQOTXGIQZ-LJQANCHMSA-N 426.310 4.752 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862601138 XHKJNKRVKWJDJF-HSZRJFAPSA-N 434.536 4.543 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1c(F)cccc1Cl)c1cccc2ccccc12 1862652044 DXYPVMNINMSHCH-NRFANRHFSA-N 439.870 4.593 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862663286 QOAJTVDOCWPHGH-HSZRJFAPSA-N 437.536 4.560 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2cccc(O)c2)c1 1862699197 RVBINQZEAJEYNQ-XMMPIXPASA-N 443.499 4.612 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 1862970818 IQMVZXWYHKYKRB-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(F)ccc3F)C2=O)c1 1863031638 DYKGWBWQTPRQFN-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccc(OC)cc2)C1=O 1863672518 UMQCLHVFWDWFPA-UHFFFAOYSA-N 444.616 4.668 30 10 IJEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)nnn1-c1cccc(C(F)(F)F)c1 1870145457 AVRBUKBOTBUTAP-UHFFFAOYSA-N 443.429 4.572 30 10 IJEE Cc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(C(F)(F)F)c2)cc1C 1870152088 AIHPMDIWEWSSRN-UHFFFAOYSA-N 433.821 4.609 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)cc1CSC(C)C 1870313008 IIRDQBZOWNWRCX-UHFFFAOYSA-N 428.598 4.991 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCO)c(C)c1 1871253740 HTLSLZGNDBFKLP-UHFFFAOYSA-N 445.563 4.691 30 10 IJEE C=CCn1nc(C)c(I)c1C(=O)Nc1cccc(Cl)c1Cl 1871323632 FVQFWYMNCHOPQS-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 1871371307 SHQNFNPZEPOASI-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC(C)=O)cc4)c3C)C2=O)cc1 1871382276 RAJRVDFFRBRHBG-UCQKPKSFSA-N 444.439 4.764 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)c1 1871426858 ZYLJUUOTGURFNO-GLFIFPSUSA-N 431.444 4.813 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871728417 CWWGIIXHVBZXTK-UHFFFAOYSA-N 440.526 4.542 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871940499 GQFMJAVQKFHSJB-CQSZACIVSA-N 427.353 4.506 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872465432 HHBGWQNYHGARAI-AUUYWEPGSA-N 441.018 4.940 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CC)CCCC)n2Cc1ccccc1 1873555327 TVOUZVKHVZMPGA-UHFFFAOYSA-N 431.584 4.920 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OCC)cc1)n2CC(C)C 1873656964 PEXZMUJJZNNIMH-UHFFFAOYSA-N 433.556 4.917 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccco2)c(C)c1 1874424936 KDLMUDJMGFZZOE-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccnc2)c1 1874425652 SQKAPAFHNGCIAA-CVKSISIWSA-N 442.548 4.570 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1OC 1874464455 KNEBAGKILUXJMV-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE COCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874475355 WBNBNUWDHVXCBF-ZMOGYAJESA-N 447.967 4.500 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874517017 JJFLEANFPMHZOS-CBFMJHRQSA-N 441.988 4.907 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CC2)cc1 1874518366 PWVRXHZCMHXKIQ-MFKUBSTISA-N 449.580 4.866 30 10 IJEE Oc1ccc(Br)cc1/C=N/n1cnnc1SCc1c(F)cccc1Cl 1874539994 COVYGEMINQCIMC-QPSGOUHRSA-N 441.713 4.713 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2CCCOc2cccc(C)c2)cc1OCC 1874567141 HVBFUFMLUHNKEA-LFVJCYFKSA-N 440.569 4.566 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875094603 ZXVQUHYNIRDTMX-MDZDMXLPSA-N 440.408 4.503 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1cnccn1 1875109113 WMOYHNFYVOCDGS-VQHVLOKHSA-N 444.487 4.646 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)c1OC(=O)C(C)C 1875194447 SJTICWBNFIOBHM-VQHVLOKHSA-N 448.899 4.832 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)CC2)c1 1891514537 RRYCPOLSIJRZJC-UHFFFAOYSA-N 431.467 4.816 30 10 IJEE C=CC[C@@H](C)OC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 1899405512 GSDRCPBBFAFZIK-LLVKDONJSA-N 431.270 4.760 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1944735241 XMQCBFBSTUJIRY-WMZOPIPTSA-N 431.533 4.586 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2cc(Br)c(C#N)cc2F)(C2CC2)C1 1965602880 OUELXDOLMKZQHY-HXUWFJFHSA-N 438.341 4.909 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C=O)(Cc2cccc(Br)c2Br)C1 1980246777 SYHFNUKUVZUABX-KRWDZBQOSA-N 447.167 4.580 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1986321967 PRNYFINYICCEIK-ARHKQHADSA-N 433.471 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2014116591 NTLDBTSJFLQNSK-OAQYLSRUSA-N 434.541 4.607 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Cl)c(Br)c1F 2035956188 QFVQUNHUEGWEKZ-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCNc2cc(Br)c(C#N)cc2F)C1 2106041675 IRDYPHOMINYJMU-TZMCWYRMSA-N 426.330 4.955 30 10 IJEE C[C@H]1CN(c2cc(Br)cc(F)c2C#N)C(C)(C)CN1C(=O)OC(C)(C)C 2118152107 YZVWYNIQNWMGFY-LBPRGKRZSA-N 426.330 4.684 30 10 IJEE C=C(COC(C)C)[C@@H](NCC)c1ccc(Br)cc1I 2142276835 IOEUBJLBQMPUSV-OAHLLOKOSA-N 438.147 4.686 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc(Br)cc2C#N)C2(CCC2)C1 2174630303 KFGLTMHDQJPKHW-OAHLLOKOSA-N 434.378 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](N)C#Cc3ccccc3Br)CCC[C@@H]12 2235725282 JDWLQJTYHJNIKH-JQVVWYNYSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC1CCN(C(=O)OC(C)(C)C)CC1 2235726335 DURFRCQRDUYURP-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@@H](O)C#Cc2ccccc2Br)C1 2235740197 NFCCUGHJSMPATH-MJGOQNOKSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1ccccc1F)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255272062 ZKBMWAHEPCHUOE-DHIUTWEWSA-N 440.559 4.656 30 10 IJEE C=C(CN(C)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1C)B1OC(C)(C)C(C)(C)O1 2256679056 TUZNFZWIUXJVHX-UHFFFAOYSA-N 430.354 4.602 30 10 IJEE C#CCC[C@@H](CNC(=O)OC(C)(C)C)Oc1nc2ccc(Br)cc2s1 2264304815 WQWMJKIGZKKLKH-ZDUSSCGKSA-N 425.348 4.744 30 10 IJEE C[C@@H]1[C@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CC(C)(C)CN1Cc1ccccc1 2267455908 FMFGHIMLQZSVNF-TZIWHRDSSA-N 440.437 4.808 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CCCC1CCN(C(=O)OC(C)(C)C)CC1 2267927490 YISDVRYCOUUXNP-UHFFFAOYSA-N 429.399 4.727 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2279430022 NWIKHMBZJQMKJB-DFQSSKMNSA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@]2(O)C#Cc2cccc(Br)c2)C1 2296217492 VFVULABAONWFDE-JUXOCIIHSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(O)C#Cc2cccc(Br)c2)C1 2296225549 WFJWFPKCKMIARS-YADHBBJMSA-N 434.374 4.733 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 2296286281 JQCJJZGZNCELAD-UEUGHCDMSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296299684 YGWOAFBMFHRLAR-MISYRCLQSA-N 435.406 4.862 30 10 IJEE C=CCNC(=O)C(=Cc1ccc(-c2cccc(Cl)c2)o1)NC(=O)c1ccc(OC)cc1 2296727125 UQLXYKPJZVGFKZ-UHFFFAOYSA-N 436.895 4.682 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)c1 2296865700 CNKGYIYODVRMDX-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O 2296867907 FPTXQRXPYOEYEY-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CN(C)C(=O)OC(C)(C)C 2317350931 ZZEHSEHCFCEPKZ-KRWDZBQOSA-N 432.370 4.608 30 10 IJEE CCc1nc(NN=Cc2ccc(OCc3ccccc3)c(OC)c2)sc1C(=O)OC 2318418093 PECRBZVTRIGNSX-UHFFFAOYSA-N 425.510 4.526 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2c(F)cccc2Cl)cc1 2321106602 KORSETMVEWWJMS-UHFFFAOYSA-N 431.924 4.554 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1OC 2322346824 POPQWYZYHMXQBJ-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)o1 2325402084 BDTYBQRQMKJBLQ-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)c(O)c1 2326141927 DGKREJJENHCCJD-UHFFFAOYSA-N 444.944 4.699 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1cccc(C(F)(F)F)c1 2326783803 GCEMYBWFMXNWGX-UHFFFAOYSA-N 448.470 4.820 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)cc1 2328355595 PKIUALCBDJSBLP-UHFFFAOYSA-N 434.521 4.942 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)cc1 2328578190 XZHHFFJUHTWMJS-UHFFFAOYSA-N 443.576 4.684 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccc(Cl)cc1 2331150423 FBENZGPZOFHIMI-UHFFFAOYSA-N 447.914 4.573 30 10 IJEE CC[C@@H](NCCCN(CC)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338517431 FISAOGAXDVSONO-OAQYLSRUSA-N 446.441 4.674 30 10 IJEE C[C@@H]1C[C@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339578080 BORRVTUMTGLPRW-CYYVBXFOSA-N 444.381 4.751 30 10 IJEE Cc1ccc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c(NC(=O)OC(C)(C)C)c1C 2342579208 UJABJMOGEVDTSV-QGZVFWFLSA-N 444.381 4.959 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@]1(C(=O)Nc1ccc(Br)cc1C#N)CC2 2355940871 FWTRHXNSWJUDIX-MGPUTAFESA-N 434.334 4.581 30 10 IJEE C=CC[C@H](Oc1cc(Br)nc(C(C)(C)C)n1)[C@H]1CCN1C(=O)OC(C)(C)C 2360899247 UUJVUPCMCDYLTA-KGLIPLIRSA-N 440.382 4.870 30 10 IJEE COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)c(Br)c2)c1 20886102 XIJULNQAXDZVSZ-ZBFHGGJFSA-N 444.300 4.601 30 10 IJEE Nn1c(N/N=C/c2cccc(Cl)c2Cl)nnc1SCc1ccc(Cl)cc1 21316276 NOCCTDRQFJLTCR-ODCIPOBUSA-N 427.748 4.690 30 10 IJEE CCc1cccc(N/C(=N\C(=O)c2cccc(N(C)C)c2)NCc2c(C)nn(CC)c2C)c1 32971590 AXRWBEKKFDTCSU-UHFFFAOYSA-N 446.599 4.546 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)c1 33423685 LAYNRTPSJZPOIC-JOCHJYFZSA-N 433.460 4.553 30 10 IJEE NC1=C(c2nc(-c3cccc(C(F)(F)F)c3)cs2)C(=O)CN1Cc1cccc(F)c1 34770052 YEXZNJPUYCZLID-UHFFFAOYSA-N 433.430 4.680 30 10 IJEE COc1cc([C@@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1ccc(C)cc1 35531280 OYABYFKUCKZELG-LPHOPBHVSA-N 427.547 4.797 30 10 IJEE CCCSc1nc2ccc(NC(=O)CSc3n[nH]c(N/N=C(\C)CC)n3)cc2s1 59888895 YTCKPYGCXSRFLC-SSDVNMTOSA-N 449.631 4.845 30 10 IJEE CCOc1cc(/C=C\C(=O)c2cccc(N3CCOCC3)c2)cc(Br)c1OC 96931881 VNKMUMNJDPKSDQ-FPLPWBNLSA-N 446.341 4.589 30 10 IJEE N#CCCN(CCc1ccccc1)C(=O)COc1ccc2ccccc2c1Br 100437852 KYQSMXXWBQSFAB-UHFFFAOYSA-N 437.337 4.966 30 10 IJEE COc1cccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)c1 103023042 XBNQYXJVMREOFK-CIAFOILYSA-N 442.876 4.733 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2OC(C)C)cc1 169976388 VUDAZEYCZAQQBU-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccnc2)c1 170012902 PIVDTEPCXNKUMN-RUZDIDTESA-N 426.516 4.796 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccncc1 170019095 PZNWAGLTNDWGSA-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)ccc1F 170049701 UDSRCZGUXFYPBV-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1 170052763 PZVUUVRSUGPJFB-QHCPKHFHSA-N 443.455 4.597 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1OC(C)C 170150614 QAOKZRHMNZLUAT-XMMPIXPASA-N 445.515 4.852 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)ccc1Cl 170163361 SPGGSIIYGRPLSC-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)ccc1Cl 170181986 RVGFCLBJFFOELD-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)cc1Cl 170184839 OLYQVDDACKGLNT-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)c1 170185651 JKDSJVAFGPAMJM-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)c1 170221543 ATRGKYGKTGNJQX-FYSMJZIKSA-N 441.483 4.802 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(F)cc1 170237974 KAQBSGUIIZNUGI-JOCHJYFZSA-N 441.499 4.616 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 170260924 ROFFNLXEDFHGKB-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccco2)c1 170296333 JIFFUKAHTVVGRZ-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1 170296795 BRWQLCVQSZWSJK-JOCHJYFZSA-N 435.451 4.557 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1cccs1 170312670 AWWDHHHNYNQPAG-GOSISDBHSA-N 439.514 4.625 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCOC(C)C 170313226 GVPRFQVTLWFGMO-LJQANCHMSA-N 425.506 4.806 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccnc1 170316875 LTYHAXYEQKTXJT-FQEVSTJZSA-N 430.485 4.976 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 170388981 DZTXJHJLFSKAEE-NRFANRHFSA-N 448.406 4.531 30 10 IJEE COc1ccccc1/C=N/N=C1/S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccco1 210595031 SCRWRRZHQZYACR-IBTWPMPSSA-N 435.480 4.934 30 10 IJEE N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)CC(c3ccccc3)c3ccccc3)CC2)nc1 238866101 LUTXMZYQJFEEBS-RQNOJGIXSA-N 425.532 4.982 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 409894960 HUEKHFKRINZBDS-XUEUYAKLSA-N 436.508 4.635 30 10 IJEE N#Cc1ccsc1C(=O)Nc1ccc(NC(=O)c2sccc2C#N)c2cnccc12 429031558 SQCNEDGROVUCPA-UHFFFAOYSA-N 429.486 4.606 30 10 IJEE COc1cccc([C@H](NC(=O)NCC2CCC(C#N)CC2)c2cc(F)ccc2OC)c1 441010030 HITJNHAUWMIZTO-OCJFHSIUSA-N 425.504 4.561 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCc2ccnc(O)c2C1 460806902 YCAKSMTYBPBOSI-UHFFFAOYSA-N 444.564 4.616 30 10 IJEE Cn1cc(CN2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c(C(F)F)n1 462905944 LQIINNSEFACECJ-CQSZACIVSA-N 443.338 4.969 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 472961405 VFTFOGFRMOMRGK-FSPWUOQZSA-N 449.860 4.733 30 10 IJEE C[C@@H](N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1F 479522255 AGWBZKZFGHXOCG-QGHHPUGFSA-N 431.227 4.863 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508846360 GHRKJOHTHFLURB-SFHVURJKSA-N 438.601 4.955 30 10 IJEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 549286901 DTMFWJSGOIJGFV-LJQANCHMSA-N 429.446 4.513 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 549287751 MWYZKGDLJHLRQP-IBGZPJMESA-N 441.377 4.630 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 571228369 DVTSRHWRCAFQOP-HXUWFJFHSA-N 439.903 4.661 30 10 IJEE C=CCN(Cc1ccc(Br)cc1F)S(=O)(=O)c1cc(C)c(C)cc1OC 586160318 QQRRWZJNLPBCDG-UHFFFAOYSA-N 442.350 4.591 30 10 IJEE CCOc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 609028538 CAUAXAFMXSVFOL-NRFANRHFSA-N 431.448 4.567 30 10 IJEE Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCc2ccc(C#N)cc2F)c1C 611389638 KWYJULDEWQKLNU-UHFFFAOYSA-N 442.292 4.584 30 10 IJEE N#Cc1cc2c(nc1NCC1(N(Cc3ccccc3)Cc3ccccc3)COC1)CCCC2 705852879 MITLKSUCPHSXLR-UHFFFAOYSA-N 438.575 4.715 30 10 IJEE O=C1/C(=C/c2cnn3ccccc23)CN(c2ccccc2)C/C1=C\c1cnn2ccccc12 729643916 KXEMGVBTQLUBNI-HOFJZWJUSA-N 431.499 4.538 30 10 IJEE Cc1ccc(N2C(=O)/C(=C/NCc3ccc(C#N)cc3F)c3ccccc3C2=O)cc1C 729837112 QISIRDLXUAQPDI-HZHRSRAPSA-N 425.463 4.632 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@]3(CC=CCC3)C2)c1=S 733993269 ZEDYOFWWRUFKSB-XUZZJYLKSA-N 438.597 4.892 30 10 IJEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 744982391 FCGUQGGOVMGFLF-RWAHWCJQSA-N 446.906 4.585 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)NCc1ccccc1)=C(/O)c1ccc(C#N)cc1 777511305 OVTMNNJONWIQGR-UHFFFAOYSA-O 436.944 4.514 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(OCc2ccccc2)ccn1 779197502 VOJCTGJRMWCRPJ-JOCHJYFZSA-N 427.504 4.747 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c1=S 790461172 ROGWFBGZLXMZJH-INIZCTEOSA-N 425.524 4.920 30 10 IJEE C=CC[C@@]1(C(=O)Oc2cccc(Oc3ncccn3)c2)CCCN1C(=O)OC(C)(C)C 791794736 NFCJREJLUIKSJM-QHCPKHFHSA-N 425.485 4.520 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 792588121 FWULWTLZYCVZIO-DEOSSOPVSA-N 437.499 4.747 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 800781894 QZSUCQXIDSXMRO-LJQANCHMSA-N 443.345 4.681 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)no1 904705679 LPOPFUFNULRRSS-KGLIPLIRSA-N 442.944 4.850 30 10 IJEE O=[N+]([O-])c1ccc(Cl)c(C=Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 1084294800 UMVGBDJACXRDDL-UHFFFAOYSA-N 433.848 4.939 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2c(C(F)(F)F)coc2C)c(C(=O)OCC)c1C 1124756102 CYENFYHRUDFKAF-UHFFFAOYSA-N 445.415 4.749 30 10 IJEE COC(=O)c1cc(C(C)(C)C)sc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 1125994195 BPEJEUXHTPIXFK-UHFFFAOYSA-N 431.583 4.755 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1OC 1128413073 CPDHHUDYSAJECC-NXTRDGOMSA-N 428.326 4.708 30 10 IJEE C#C[C@@H](NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C)c1ccc(Cl)cc1F 1129735107 HKPZKFIMMUUOSG-OAQYLSRUSA-N 434.902 4.715 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)nnc1-c1ccc(Cl)cc1Cl 1129745086 USTPGRIHJMSXKA-ISTRZQFTSA-N 437.396 4.835 30 10 IJEE COc1cc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)ccc1OCc1cscn1 1134489498 CBMGKIXSXDHFBF-UHFFFAOYSA-N 433.533 4.622 30 10 IJEE C=CCNc1ncc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)s1 1136508332 WFECCNAQAYCIQB-UHFFFAOYSA-N 439.412 4.786 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(OC)ccc1Br 1136571153 GBWWIJJJKBQFJD-HNNXBMFYSA-N 427.339 4.646 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(CC)cn1)c1ccc2c(c1)OCCO2 1136697811 HAHWUTVMHFJVKM-UHFFFAOYSA-N 444.531 4.756 30 10 IJEE Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1137136930 FZKDDDBARWBEFK-RDTXWAMCSA-N 427.570 4.847 30 10 IJEE C=CC1(CC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1138268319 RVMWXIJPLDOZAI-UHFFFAOYSA-N 438.490 4.666 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc4n3CCN(C(=O)OC(C)(C)C)[C@@H]4C)cc21 1157639969 MPJWQPVZGJVHRU-MRXNPFEDSA-N 435.528 4.588 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1OC(F)F 1162567556 CAZBIGKHAFMRDZ-GFCCVEGCSA-N 425.259 4.916 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(OC(C)C)cc2)nc2cc(Cl)ccc2c1=O 1164459465 XJVFHQPFJNAYFU-UHFFFAOYSA-N 428.941 4.998 30 10 IJEE CC(C)Oc1cccc(CNC(=O)CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c1 1171389880 CWQAMEMVDFLNKA-KRWDZBQOSA-N 433.474 4.523 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NCc2cc(OC(F)F)ccc2Br)n1 1178457741 DAGBNLMVKSCSJK-UHFFFAOYSA-N 437.219 4.859 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(Cc2ccccc2F)no1 1200392461 ADLVKTRRMVYJEW-AWEZNQCLSA-N 425.489 4.515 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)C1 1203354537 XUFCXMAABBPAMC-HSZRJFAPSA-N 436.987 4.512 30 10 IJEE C=CC[C@@H]1CC[C@@H](Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1206159420 MEJCJSBDVGROHF-NHCUHLMSSA-N 429.605 4.775 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)[C@@H](C)CC)cc1 1211421997 NSSVMAORPDINRR-IBGZPJMESA-N 428.598 4.850 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1 1220058281 BRICTPGDVWZVQF-FQEVSTJZSA-N 431.492 4.969 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C(=O)c2ccccc2Cl)CC1)C(C)C 1220600938 YLNALPPSSQRYQA-JOCHJYFZSA-N 432.008 4.643 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(F)c(F)c1 1222254778 SEBGPAFQOSHRQJ-ICSRJNTNSA-N 433.886 4.730 30 10 IJEE C=CCCCN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1222496747 UZGMLQLCSQSYNY-NRFANRHFSA-N 434.989 4.831 30 10 IJEE N#Cc1ccc(CNC(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)cc1Cl 1235706578 COUYEFSJOXKWAY-UHFFFAOYSA-N 436.314 4.595 30 10 IJEE C=CCn1cc(CNC(=O)N(C)[C@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)nn1 1252076568 ICRFIJVJHKQWQS-LJQANCHMSA-N 433.556 4.821 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(Br)nn1-c1ncccc1Cl 1264398885 DJIPUDNXRCQILR-UHFFFAOYSA-N 431.721 4.512 30 10 IJEE C=CCN(C(=O)c1cc(Cl)ccc1OC(C)C)[C@H](Cc1ccccc1)C(=O)OCC 1269216236 UYHSXBGONPLKHP-OAQYLSRUSA-N 429.944 4.930 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1276638530 YZIBVIORTAUWTJ-AOMKIAJQSA-N 437.337 4.985 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(C2CC2)CC1 1286434153 GETNHCVQZLXAJP-UHFFFAOYSA-N 425.001 4.877 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1OCCC1(C)C 1286437968 SUIGRGQXJJJRAP-LJQANCHMSA-N 435.597 4.652 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCc1sccc1C 1286458245 NWARUVVFERDMHN-UHFFFAOYSA-N 445.567 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCC1(C)C 1286515435 YPTCCANERGWSSG-RXFWQSSRSA-N 433.600 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCc1csc(C)n1 1286527955 UYILAOMZYXHFPB-JOCHJYFZSA-N 441.988 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1286560820 JCQWVLCWWFYNHI-URFJDIBFSA-N 442.579 4.707 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286590156 SZPVPGXKPPFJDC-SFHVURJKSA-N 431.968 4.668 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H](C)C1)c1ccccc1 1286681688 QVEYNDVHKCEUMM-ILPIOFSMSA-N 438.616 4.844 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2CCCO2)CC1 1286684555 KZAIKEDGCAQKEG-JOCHJYFZSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CCC(=O)NC(C)(C)C 1286749856 FPPHSQJRVRVEKO-UHFFFAOYSA-N 429.634 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccn(CC)c1=O 1286752625 BRBFABNXYBKDBQ-GOSISDBHSA-N 449.624 4.540 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1noc2c1CCCC2 1286753685 GXYJGUAAPMCAOR-KRWDZBQOSA-N 437.519 4.651 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](SC)C(C)(C)C 1286767579 BLCGYYHSUCOOCZ-HXUWFJFHSA-N 427.618 4.843 30 10 IJEE C=CCN(CCOC)c1nnc(CCc2ccccc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286768790 HWRVWXUBRJJHLM-VQTJNVASSA-N 436.522 4.996 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCC[C@H](C)C1 1286779790 MQKSZEXTANSZDH-HNNXBMFYSA-N 444.004 4.742 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)C(C)(C)C1 1286798902 NCAYLDUVILVAJB-IBGZPJMESA-N 448.615 4.625 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cccs2)C1 1286801658 FMUVERSLZXZGOO-QGZVFWFLSA-N 445.386 4.599 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(CC)CC)CC1 1286824959 DABOPZVWFDLSDE-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1286826129 XLCCDICZMQPFAZ-INIZCTEOSA-N 426.508 4.652 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)Cc1cccs1 1286827438 ODOVVZJWHQOXBB-UHFFFAOYSA-N 428.583 4.681 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCC2)n1CCc1cc(C(F)(F)F)ccn1 1287605231 FZJBQJAGXYLPJD-UHFFFAOYSA-N 434.510 4.968 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 1293882411 ZRKHXXRIPIMUQJ-UQBPGWFLSA-N 444.547 4.593 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12 1299310586 XQKGRABCINDYLI-OXJNMPFZSA-N 431.552 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(O)(CCC)CCC 1300284900 VMIJVOOQUDSLCT-ZWKOTPCHSA-N 428.646 4.921 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCCC2CCCC2)c1 1300334506 NSGWIHIWEJDKTK-UHFFFAOYSA-N 435.616 4.893 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC2(CCC2)C1 1300349204 QORCSZZMGOCPAL-UHFFFAOYSA-N 443.389 4.579 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1300398978 DRHPKVUSUDEJRP-OAQYLSRUSA-N 430.581 4.688 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1CC 1300511688 BOUKETWDWYDCKQ-HKUYNNGSSA-N 425.374 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1Cc1nccc(C(F)F)n1 1300788359 XXQXNDKUQOBGKR-MHECFPHRSA-N 436.510 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCC(C)(F)F 1300790106 INJIADUUSSWWPB-GOSISDBHSA-N 441.295 4.884 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1300890190 FWWGJPSMBXANLI-FUCAVZNHSA-N 438.616 4.937 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1(c2ccccc2)CC1 1300931026 UTWYRDRZLNCZBV-UHFFFAOYSA-N 426.362 4.780 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1300982719 OUHIAEBYRMEFBH-PXNSSMCTSA-N 439.362 4.697 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1301055747 RVOAMLVCEHUDKP-YCRPNKLZSA-N 440.922 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1301160663 UJCMYXRJWRRVSB-RBUKOAKNSA-N 441.645 4.888 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CC=CCC1)c1ccccc1 1301166289 SWMBTRXIAVTJIG-GMAHTHKFSA-N 433.600 4.553 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1301197221 QHIAVYJGGAKRNA-SFHVURJKSA-N 438.551 4.641 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301202570 LRDJEZCFAGKVAF-MOPGFXCFSA-N 428.552 4.655 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(O)(C(F)(F)F)CC1 1301208689 ADZWOVNYFLWYHT-UHFFFAOYSA-N 432.849 4.597 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301226026 QCMXJSUXBVXYGZ-IBGZPJMESA-N 439.604 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCC(C)(C)COC 1301270557 KOBKPDSDPAWCOY-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCC1CCOCC1 1301335126 WOSUVXKNDCVUAT-UHFFFAOYSA-N 436.556 4.864 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1cnn(CC(C)C)c1C 1301349938 VGLZRDSXTZYWOB-QHCPKHFHSA-N 448.615 4.574 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)c(COC)c1 1301379876 WNBBLZNUSXHYDT-UHFFFAOYSA-N 427.911 4.506 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1301438358 OUYYRDOYXKLNHK-SFHVURJKSA-N 436.629 4.768 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2ccccc2OC)CC1 1302887067 ZTWUOWRJQJTSRW-HKUYNNGSSA-N 436.980 4.827 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@H]1C 1303908349 BVZQENPUYIMFDJ-DOWNOZBLSA-N 431.943 4.950 30 10 IJEE C=CCOc1cccc(CN[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)c1 1308364313 VBJUCCHVMJTHAY-NRFANRHFSA-N 429.358 4.608 30 10 IJEE Cc1cc(Br)c(Cl)cc1S(=O)(=O)N(C)[C@H](C)c1cccc(C#N)c1 1309603720 DZVHRXVTVUCMSJ-GFCCVEGCSA-N 427.751 4.664 30 10 IJEE C=CC[C@@H](CC)NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1310317521 YRHCNDBXMMMESM-GOSISDBHSA-N 430.346 4.855 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(I)ccc1C)c1ccc(Cl)cc1F 1310572635 XJFDPVDXQXCKRU-HNNXBMFYSA-N 442.659 4.888 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)cc1OC)c1ccc(Br)cc1 1311050230 OCGRZHGNQIJPDV-AWEZNQCLSA-N 438.119 4.716 30 10 IJEE C#Cc1ccc(CNC(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1312729590 VWTJMPSLCCACIX-NRFANRHFSA-N 440.469 4.616 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 1348583497 VPIZGOPGHUYPKE-HXUWFJFHSA-N 447.645 4.782 30 10 IJEE C=CC1(CC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)CCCCC1 1349574887 SCKIDLZDOMCCOM-UHFFFAOYSA-N 446.657 4.588 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 1350115992 ADMDSKGPMNKXBX-UHFFFAOYSA-N 431.923 4.753 30 10 IJEE C#CCCOc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 1352085416 LIGAWYBJKNZXOU-RUZDIDTESA-N 442.490 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCO[C@@H]1CCCC[C@@H]1C 1359067382 LKJUGXDRCNUPCF-GEQKSPFYSA-N 427.980 4.581 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1nccs1 1359090558 CQKUDYTXLYJYPA-SJBKTWHCSA-N 437.613 4.894 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C)C1 1359091132 JHBZMCFXHCJEFW-YXTQBTIXSA-N 428.552 4.775 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359119310 JWPWDSSEQJPXFS-HNNXBMFYSA-N 449.958 4.759 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 1359139887 HPWXMDPAQUGWRQ-UHFFFAOYSA-N 449.559 4.526 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)C2CCCC2)CC1 1359160836 FXVVABHQQRONMV-UHFFFAOYSA-N 431.531 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](COC)C1 1359184782 AAUYHYBXWKFKAE-CQSZACIVSA-N 439.423 4.844 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C2CC2)C1 1359203838 XAQKIJWCOLATNT-OAQYLSRUSA-N 443.636 4.985 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)C1 1359219750 BNKCSEHBIWUDLY-UHFFFAOYSA-N 425.360 4.745 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCN(CCC)C(=O)C1 1359221187 UBHBEOGYTXIHCQ-UHFFFAOYSA-N 448.036 4.639 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCC[C@H]1C 1359262184 LAJYIIZTRLGCSC-OPAMFIHVSA-N 444.004 4.799 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C 1359265730 KWSDCRLUWSPEOV-YSFYHYPLSA-N 447.693 4.549 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1359344269 QZLGFOVFUPQSOE-UHFFFAOYSA-N 447.048 4.839 30 10 IJEE C#CCN(C(=O)c1c(C(F)(F)F)coc1C)[C@H]1CCOc2ccc(Br)cc21 1360556904 HLACQRMZAVVXOB-HNNXBMFYSA-N 442.231 4.969 30 10 IJEE Cc1ccc(C2=NO[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)cc1 1361274197 GLKRWUSTSOYLOX-VWLOTQADSA-N 425.488 4.886 30 10 IJEE C#CCSc1ccc(COC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)cc1 1435909488 QWGLLRJZGCVEAF-UHFFFAOYSA-N 432.332 4.965 30 10 IJEE C=CC[C@H]1N(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCCC1(C)C 1436084216 UKFRUVSRALJHQU-FXAWDEMLSA-N 434.527 4.734 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)CCCN1C(=O)OC(C)(C)C 1436187533 BFIFHOPBUHGKSW-NRFANRHFSA-N 433.961 4.990 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 1436684817 FHERMFILTFETEE-DNQXCXABSA-N 426.560 4.996 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)n[nH]2)c1C 1442179807 VCUYKZFEVNNNNY-UHFFFAOYSA-N 447.489 4.874 30 10 IJEE C#CCN(CC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 1446989311 RTKKXMNYTYWSDT-RBUKOAKNSA-N 438.490 4.670 30 10 IJEE C#C[C@@H](NC(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(F)cc1 1450083516 UWDHMZATTVLTRU-HXUWFJFHSA-N 430.508 4.708 30 10 IJEE CC(C)[C@@](C)(N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 1459948029 DXRXJVNPBUOXKK-FYYLOGMGSA-N 440.385 4.977 30 10 IJEE COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1ccc(Cl)cc1 1460023667 FJOGTCPMAKECPX-JOCHJYFZSA-N 436.943 4.535 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnn2CC2CCC2)nnc1-c1ccc(Cl)cc1 1462336770 BOJPPOKHILMJFB-UHFFFAOYSA-N 442.976 4.512 30 10 IJEE C#CCOc1cccc(OS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1 1463046206 KGWKINUDQGGFIE-UHFFFAOYSA-N 436.110 4.536 30 10 IJEE C#CCN(CC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)C(=O)OC(C)(C)C 1464333363 PLODATOWVOCUCT-QGZVFWFLSA-N 426.488 4.666 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)cc1 1465094500 IXNYNQVWXZSXDP-UHFFFAOYSA-N 426.881 4.624 30 10 IJEE CC(C)Sc1ccc(Cl)cc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1465604814 GEMPJQRVSJZEKD-CZUORRHYSA-N 438.981 4.721 30 10 IJEE Cc1cccc(C)c1OC[C@@H](O)CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1466273250 HUFATTUSYVCUAL-NRFANRHFSA-N 431.492 4.529 30 10 IJEE CC(C)(C)OC(=O)c1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 1466342820 DEOYJDLPJZIKHK-UHFFFAOYSA-N 435.402 4.734 30 10 IJEE C#CCN(C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCOc2ccc(Br)cc21 1468422617 BOWQPAURFMPJQR-BOSXTWCSSA-N 431.374 4.744 30 10 IJEE C#CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCOc2ccc(Br)cc21 1473169432 XJCVFVHZJMKNND-MJGOQNOKSA-N 449.389 4.607 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2c(Cl)cccc2Cl)CC1 1473360330 JHJIROUESWRKPX-INIZCTEOSA-N 438.424 4.780 30 10 IJEE CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1C#N 1474870882 HYCZVKJZKIBGPV-UHFFFAOYSA-N 427.751 4.573 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)cc1 1475031822 SCUPCRZLWYNRKT-UHFFFAOYSA-N 440.609 4.899 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@](C)(O)c2cccc(F)c2)cc1 1476082509 BHBISQDFPFZISM-XMMPIXPASA-N 435.455 4.527 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)Cn1cccn1 1476791965 AIVHFJMTVPRUEX-LLVKDONJSA-N 426.336 4.630 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCOc2ccc(Br)cc21 1477284625 ZKBWUKZDXRGYLJ-MHUJFGSKSA-N 431.374 4.742 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](c1ccco1)N1CCCCC1 1492557317 GODGZNIEXDBHJT-UGKGYDQZSA-N 432.572 4.670 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCC(C)(C)C)cc1OC 1502799531 FRWPYIVABUZWPB-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1503578559 CULRTXGPLZFQIU-QHCPKHFHSA-N 449.605 4.526 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1503968425 BCXRYSKAODHNDY-LDJQZATESA-N 449.958 4.575 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](COC)C1 1507558702 YHVSFLGOKGJJKY-MOPGFXCFSA-N 430.980 4.738 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1nccs1 1507662205 FJNPWXIEFOGISO-ROUUACIJSA-N 449.649 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1507798320 NVSPXWLPMGOECF-FIXSFTCYSA-N 440.632 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCSC1 1507819630 UIDBLPHRQVCSBR-MOPGFXCFSA-N 449.665 4.548 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1507837998 YVFKTFLHNVICGO-MSOLQXFVSA-N 448.995 4.668 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC2(CC2)C1 1507859937 FNZXSBCYSWTEPN-UHFFFAOYSA-N 437.769 4.849 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1507919488 OBFVOMMPHFKANI-FCHUYYIVSA-N 437.632 4.749 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCCCC2)C1 1507923524 YCVYWBVYMSLQTG-UHFFFAOYSA-N 429.634 4.776 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1507928225 CKYJAOQOFPWRSL-QZTJIDSGSA-N 429.996 4.700 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1c(C)nn(C)c1C 1507944194 PMPORCMEGBTUDP-NRFANRHFSA-N 436.604 4.988 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)CC#N 1509096023 DNEYDMARTWAZOO-NOXFTYBFSA-N 448.571 4.790 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1509918499 HKMJFEAZHCRKRQ-FXAWDEMLSA-N 446.580 4.972 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccnc(OC2CCCC2)c1 1511228081 GKULHTGRMBZGSC-GOSISDBHSA-N 430.556 4.614 30 10 IJEE C[C@H]1CCCC[C@@H]1OCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1512139849 CRTRTDRUJFSDGL-CVDCTZTESA-N 439.579 4.733 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1514722780 VYRUWRNEFYFPAG-SFHVURJKSA-N 445.382 4.571 30 10 IJEE COc1ncccc1Cn1c(-c2cc3ccccc3o2)nnc1N(CCC#N)CCC(C)C 1518547950 GUVCKBHBUWQGOR-UHFFFAOYSA-N 444.539 4.909 30 10 IJEE C=CCCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1523896488 TUIRASBMILOVBJ-UHFFFAOYSA-N 440.609 4.941 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(N2CCc3ccccc32)CC1 1524669580 HVZAMVDUXUNARN-UHFFFAOYSA-N 430.470 4.938 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3cc(F)cc(Cl)c32)nnc1-c1ccco1 1528225281 WYXOJIJBGLHHDC-UHFFFAOYSA-N 446.935 4.978 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1533084522 VONJBKZULPPHIE-SSZFMOIBSA-N 430.426 4.682 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 1533414936 YGBUAHZUPQXMIQ-UHFFFAOYSA-N 427.529 4.602 30 10 IJEE C#C[C@H](NC(=O)CCc1cc(Br)cs1)c1ccc(Br)cc1 1535483625 OVHPWBLYYCWRLT-HNNXBMFYSA-N 427.161 4.696 30 10 IJEE C[C@H](NC(=O)c1cc2nccc(C(F)(F)F)n2n1)c1ccc(-c2cccc(C#N)c2)cc1 1536870667 CFCNIZVVNVOJEN-AWEZNQCLSA-N 435.409 4.778 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1539001729 IMXYYDOWLMLYSC-QHAWAJNXSA-N 446.643 4.651 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1539147568 IKDJZKHZVGSUER-QFBILLFUSA-N 449.624 4.734 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CC(C)(C)C1 1539305752 NTSKJXCSGWWUCR-UHFFFAOYSA-N 439.401 4.915 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOCc1ccccc1 1539351241 QAZJGLLSGXLDQP-UHFFFAOYSA-N 434.609 4.952 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1539504710 MNLCGZYABLFBMW-QGZVFWFLSA-N 441.626 4.616 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1539575225 ZCCVDUJEKDOTLZ-OAHLLOKOSA-N 443.389 4.726 30 10 IJEE COC(=O)C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)cc1 1539704590 CKNFGAIREDJNGG-HNNXBMFYSA-N 437.311 4.898 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](OCCC)CC1)c1ccccc1 1539939781 KELQKXVCJHNTOP-TZRRMPRUSA-N 438.616 4.927 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)C[C@@H](C)C1)c1ccccc1 1539946590 CJESSUWDZZXCGY-YOSAUDMPSA-N 432.616 4.982 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1Cc2cccc(Br)c2C1 1540029731 XPRGECNTPZQILQ-UHFFFAOYSA-N 443.345 4.722 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1540052134 YLPZPUVOFNROFD-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@@H](F)c2ccc(Br)cc2)C1 1540890549 GLPBVGIHGITPET-RTBURBONSA-N 449.368 4.800 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(F)F)C1 1540922308 KFXFUJWKBVUAQI-GVDBMIGSSA-N 428.593 4.597 30 10 IJEE Cc1nccn1-c1ccc(Cn2c(C(C)C)nnc2N(CCC#N)CCC(C)C)cc1F 1542969345 BRKBLXDVDKMUOJ-UHFFFAOYSA-N 437.567 4.849 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Br)c(O)c(Br)c1 1543530186 KOFPKVXWZMISRU-UHFFFAOYSA-N 443.110 4.885 30 10 IJEE C[C@H]1CCc2sc(NC(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)c(C#N)c2[C@@H]1C 1544832202 BUKGTSQPYDSFAM-NWDGAFQWSA-N 435.471 4.988 30 10 IJEE C=CCc1cc(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc(OC)c1OC 1544945817 RRVIULFDGXLZOK-UHFFFAOYSA-N 439.339 4.722 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccco1)Cc1ccccc1O 1545496709 XBHYEASBINYWTI-SFHVURJKSA-N 434.920 4.550 30 10 IJEE CN(C)c1ccc(/C=N\N=C2/S/C(=C\c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 1554646390 HGFFKCUITZYALW-HWJUDHBUSA-N 448.523 4.991 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2CC(C)(C)C2)c1 1554802973 FLTXSQVJCUQSDQ-AWEZNQCLSA-N 446.393 4.891 30 10 IJEE C=CCn1c(SCc2c(Cl)cccc2C(=O)OC)nnc1-c1cccc(OC)c1 1559381419 RNVZUOBOTMNNLK-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1 1562424139 GGGHFAYHRRALFG-UHFFFAOYSA-N 426.339 4.799 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](Cn1cccn1)c1ccccc1 1562928487 JQZBOKYVQLEAMG-LJQANCHMSA-N 441.329 4.773 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 1563015205 HVEYXCYMYUCJKS-IBGZPJMESA-N 433.487 4.503 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(OC)cc1Br 1564433461 ZAAMNYCHDFGRRK-OAHLLOKOSA-N 428.330 4.788 30 10 IJEE CCSc1ccccc1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1585534014 GLKHWUWIQLGCSY-IBGZPJMESA-N 444.398 4.584 30 10 IJEE C[C@H](NC(=O)CCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)c1ccccc1 1585624377 FKIUSKWQAYLQEC-IRXDYDNUSA-N 431.458 4.604 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)C1 1585882146 ROOKUOWIDPUGRL-SSEPRJSISA-N 444.575 4.750 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(C)CCCS1 1587563251 ZIJCXRKKWBPGJC-IXFSTUDKSA-N 428.602 4.560 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1587872227 BIPADTYRYDLQNH-UHFFFAOYSA-N 433.644 4.773 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)CCCc1ccccc1 1589434659 PLPPJJPLVGZNTD-UHFFFAOYSA-N 431.403 4.908 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1589694159 AOPOURLYJJRIKU-HYBUGGRVSA-N 442.629 4.619 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1594767032 MGIQDSMWCLOMOD-UHFFFAOYSA-N 441.645 4.586 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C(C)C)N1CCCC1 1594997219 ALCODNDLSLELIQ-HSZRJFAPSA-N 439.648 4.897 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC1)C1CC1 1595021283 WSQNESIBDVHPGW-MSOLQXFVSA-N 430.980 4.880 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1Cc1ccc(C)s1 1595099739 HYMUVGCXXRGGLX-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1nnc(CC)s1 1595149701 TVRYSJJFOWPEHC-UHFFFAOYSA-N 426.571 4.563 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@@H](F)C1 1595275819 PUVFLTSLEBWBIV-ZIAGYGMSSA-N 443.386 4.546 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(C(=O)OC)c(C(C)C)s1 1596224997 BCTRUDOEKGZESO-UHFFFAOYSA-N 428.432 4.889 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@H]1C 1596789091 FMLVWDOOINWGKT-RBSFLKMASA-N 434.357 4.879 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1598158676 UUCOGURVZSPEGN-UHFFFAOYSA-N 437.425 4.939 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](CC)c2cc(F)ccc2OC)nnc1-c1ccco1 1616879959 UYDQBJJQIPKUTM-QGZVFWFLSA-N 444.532 4.622 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)cc2n1 1617520476 JQZBKDYPJABWAV-JOCHJYFZSA-N 429.442 4.829 30 10 IJEE C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 1618114008 FCQCKADMFIZMQG-DJJJIMSYSA-N 437.849 4.631 30 10 IJEE C=CCC[C@@H](NC(=O)/C=C\C(=O)NCc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1623620596 KRIIZZPKHUDGQV-DDAIRQTISA-N 446.469 4.710 30 10 IJEE C#C[C@@H](NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)c1ccc(Br)cc1 1628542602 ICGDCWVXYKFSPE-GFCCVEGCSA-N 446.059 4.908 30 10 IJEE C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCN(c2ccc(F)cc2)CC1 1631446739 BLAGGKYWQVAFKW-LJQANCHMSA-N 444.510 4.639 30 10 IJEE C#C[C@H](NC(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 1636547545 CPBCKXRMNBOEJF-VWLOTQADSA-N 432.495 4.799 30 10 IJEE C#C[C@H](NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1 1636551628 FWBCOMYOLJMMEV-NRFANRHFSA-N 449.904 4.951 30 10 IJEE C=CCCCNC(=O)c1ccnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1640058331 WLDKORIRXLZEQH-UHFFFAOYSA-N 441.531 4.816 30 10 IJEE C=CCn1c(SCc2noc(-c3c(F)cccc3Cl)n2)nc2sccc2c1=O 1640705884 FWZYKDFNLZIKEL-UHFFFAOYSA-N 434.905 4.779 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1641582134 DYMJORYGOZAQJX-WIYYLYMNSA-N 426.557 4.832 30 10 IJEE CC(C)C[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccccc1 1642456624 DPXDPNWKNNJPQK-QPPBQGQZSA-N 448.611 4.733 30 10 IJEE C=CCC1(O)CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)CC1 1644570714 PAHXTCOPHULHMO-UHFFFAOYSA-N 444.959 4.873 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccccc3OC)C2=O)nnc1-c1ccc(Cl)cc1 1652406476 VWEVYGXFLPGGNE-LJQANCHMSA-N 440.956 4.691 30 10 IJEE C=C(C)Cn1c(SCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccncc1 1652706334 AALFDCQVLQKHDG-KRWDZBQOSA-N 429.590 4.655 30 10 IJEE C#Cc1cccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)Cc2cccs2)c1 1652828231 HLDBJUABYOMZSO-UHFFFAOYSA-N 444.600 4.601 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2cc(Br)ccc2OCCC)CCCC1(C)C 1655171733 LIUWIMBKYKWVPW-GOSISDBHSA-N 430.408 4.993 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccnc(C(F)(F)F)c2)cc1OC 1656277170 KFRGERUPUBNXKV-UHFFFAOYSA-N 431.252 4.726 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(-c3cnco3)cc2)cc1OC 1657084975 DGDZJYWQBAPVLU-UHFFFAOYSA-N 429.314 4.967 30 10 IJEE C[C@H]1[C@H](C)CCC[C@H]1N(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 1657131640 HIYBHXVVAQSULZ-SELNLUPBSA-N 433.552 4.942 30 10 IJEE C#CCN(C(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CCCc2ccccc21 1657728373 FPPRPKXWAMENAI-IBGZPJMESA-N 441.325 4.765 30 10 IJEE C#CCN(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1660895164 YTHARPCLRPTYMO-GOEBONIOSA-N 447.295 4.895 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1 1667784259 SEQCGOZRWMUWIR-UHFFFAOYSA-N 434.492 4.908 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1)c1ccc(Br)cc1 1668114110 SOHBQYKJKRHCSG-LJQANCHMSA-N 441.304 4.887 30 10 IJEE N#Cc1cc(NC(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)ccc1F 1668160079 DXZJPFLIDKAUJV-UHFFFAOYSA-N 430.483 4.630 30 10 IJEE Cc1ccc(CS(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 1668266723 AGHZEEPAFGWLNG-HNNXBMFYSA-N 429.357 4.876 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](COCCC)Cc1cccc(Br)c1 1670866538 NVMMCWFEWMTFMU-LJQANCHMSA-N 445.357 4.621 30 10 IJEE COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1cc(C#N)c(F)cc1F 1673963050 HOHFMDHEDHGMFF-QGZVFWFLSA-N 436.256 4.977 30 10 IJEE C#C[C@@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(F)cc1 1674014671 FXIHJTAGYYGCOY-JOCHJYFZSA-N 439.531 4.627 30 10 IJEE C#CCN(C(=O)NCc1ccccc1CC)[C@H]1CCOc2ccc(Br)cc21 1677927605 BSTWQNACZURQPG-FQEVSTJZSA-N 427.342 4.680 30 10 IJEE C#CCN(C(=O)NCc1ccccc1OCCCN(C)C1CCCC1)C1CCCCC1 1679883450 BHNMOYGUROYYKC-UHFFFAOYSA-N 425.617 4.807 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 1680314069 HQYAZDLBJQBMIX-VXKWHMMOSA-N 434.337 4.802 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)CC1 1682389869 QBIGSDVJKUSBGS-MISYRCLQSA-N 432.406 4.526 30 10 IJEE C=CCCC1(CNC(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CCCC1 1682547676 FYIBLGGTYOTCGS-SFHVURJKSA-N 428.527 4.969 30 10 IJEE N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)CC1 1683592103 AKLBPRFDYKKLBM-UHFFFAOYSA-N 444.510 4.567 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)c1ccc(F)cc1 1683664270 NXUOEYZZEGXLEQ-NRFANRHFSA-N 445.332 4.653 30 10 IJEE C#CCN(C(=O)NCC(C)(C)[C@H]1CCCCO1)[C@@H]1CCOc2ccc(Br)cc21 1684376666 FUAGVYUOIUOFCD-UYAOXDASSA-N 449.389 4.513 30 10 IJEE C#C[C@@H](NC(=O)NCCCc1c[nH]c2ccc(F)cc12)c1ccc(Br)cc1 1686448231 MHQFUFITLNEMSA-LJQANCHMSA-N 428.305 4.676 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCC1CCOCC1 1689863698 ZHXBGCJQRPICBQ-HXUWFJFHSA-N 438.616 4.819 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1689881389 OWZHAVORQBSHCY-GOSISDBHSA-N 437.975 4.960 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC[C@H](COC)C1 1689918225 VPBZWDGZCCDFMM-SFHVURJKSA-N 445.405 4.682 30 10 IJEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)C(C)C)CC1 1690114666 CHIZQKSUNRXABE-IBGZPJMESA-N 439.673 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC[C@H]1CCO[C@H](C)C1 1690212229 DPYKCEAGIFHWOL-TVZXLZGTSA-N 436.600 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(O)(CC)CC 1690212588 PALOYOFAUIOFAB-RUZDIDTESA-N 438.616 4.698 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1690254278 ZEGDSUDLQNPRTI-DHIUTWEWSA-N 431.584 4.722 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1690287729 QTQFZLMLOLZOER-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1690316241 AXBHDNTYLRNNSP-HNNXBMFYSA-N 447.555 4.702 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccsc1 1690319063 BSJWBFROORGTIT-NRFANRHFSA-N 442.560 4.992 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(COC)CCC2)CC1 1690368742 KGIVUMOZXVXXLT-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690474188 VDAQQOUNARSEOS-CVEARBPZSA-N 449.368 4.676 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC(F)C1 1690482833 BAIHOCVQMZBQQR-XBMUEBEBSA-N 435.588 4.543 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cn2ccc(C)cc2n1 1690519390 HRHOATHFTXTHPW-UHFFFAOYSA-N 427.339 4.879 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@@H](F)C1 1690601222 USCOJUYSQWCNMY-SJLPKXTDSA-N 449.368 4.936 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CCn1ccnc1C 1690605634 RUAAAPNFLYGOHO-UHFFFAOYSA-N 436.947 4.632 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C)C1 1690685022 UONCTHCOVUKDEK-LUBSMZHTSA-N 438.616 4.902 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCSC2)C1 1690686530 PROLPLHNBQWXJY-SQGPQFPESA-N 449.020 4.606 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)COc1ccccc1OC 1694049918 FCZARVFRGGJDDF-RTBURBONSA-N 425.577 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCC1(C)C 1705492068 LCFZMZLUJAUXKD-AZUAARDMSA-N 443.636 4.677 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705518842 WKHUIQMBJFIPGT-OAQYLSRUSA-N 426.992 4.579 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1705624033 NZTCMBXSPMJXCD-HXUWFJFHSA-N 430.543 4.809 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(F)cc(F)c1 1705695842 KGKMQFQOYMVMSP-DYESRHJHSA-N 428.483 4.742 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)OC1CCCC1 1705710294 WVDCGHQRLNRXQU-HYBUGGRVSA-N 440.588 4.766 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1705724780 OUQRGCVUHKHTCZ-YOFSQIOKSA-N 429.609 4.879 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(SC)CCN(C)CC2)CC1 1705769888 IIZGGOYJWNSKGA-UHFFFAOYSA-N 446.064 4.506 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2CCOc2ncccc2Cl)CC1 1705771292 NYBYERGOEDDVNR-UHFFFAOYSA-N 437.975 4.737 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCc2ccsc2)CC1 1705772417 SLFLZACCAMPZNI-IBGZPJMESA-N 443.617 4.811 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2(COC)CCC2)CC1 1705778706 HTGBIRUZEHJNLL-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccc(C)c1 1705831446 RVTQTQLVDJDVIY-QFIPXVFZSA-N 437.613 4.876 30 10 IJEE C=CCCOCCn1c(N(C)Cc2cc(Br)cs2)nnc1C(C)(C)C 1705832363 VRHMNYMUPCYIAY-UHFFFAOYSA-N 427.412 4.629 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCOCC1)C1CC1 1705849975 BIMSATOLQLHBPO-UHFFFAOYSA-N 437.632 4.508 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCSC1 1705940678 LPTZOQDUERWLJE-INIZCTEOSA-N 439.448 4.569 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](COCC)C1 1705943784 KNGNAUQEEZPHHW-GOSISDBHSA-N 425.602 4.599 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC(F)(F)C1 1722390111 BCVOPEWHOZUZPD-MSOLQXFVSA-N 446.929 4.970 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1C1CC1 1722407951 VCAMRLAZBCSYPY-GMAHTHKFSA-N 435.616 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1nc(C(C)(C)C)cs1 1722474355 KKQKWOZMJOLMFP-HSZRJFAPSA-N 439.654 4.919 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(F)c(Cl)c1 1722482580 BRQQICDYYHJZOZ-UHFFFAOYSA-N 438.732 4.621 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccsc1 1722496393 WWTNCIZCSCVCAT-AZUAARDMSA-N 439.541 4.532 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](CCC)C1 1722544037 DEVNZSAZDPHPBC-INIZCTEOSA-N 439.785 4.774 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1722583682 QULHSYBRYAHRFY-GOSISDBHSA-N 425.625 4.706 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722590381 CIMNZDMBYDHFPI-PKTZIBPZSA-N 443.680 4.723 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N(C)Cc1csc(Br)c1 1722627736 NFSRMYDUIKTBDV-UHFFFAOYSA-N 439.423 4.989 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC=C(C(C)(C)C)CC1 1722628766 AYNACRVNEBERJC-UHFFFAOYSA-N 430.543 4.922 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cccs1 1722653602 AMILOWGIXUNBAE-DEOSSOPVSA-N 435.597 4.609 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722681752 ROMUTEBZUZJPEJ-HKUYNNGSSA-N 440.485 4.940 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722741266 GAHMVDZFPLZVLO-NRFANRHFSA-N 447.048 4.837 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2Cc2sc(C)nc2C)cc1 1724450620 HUNSDPGKBCELSJ-OAHLLOKOSA-N 426.615 4.739 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C1 1727334672 DFYADTOVDFDGON-UHFFFAOYSA-N 448.615 4.624 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC[C@H]1C 1740680954 UACNPLIVYOGRFJ-OTWHNJEPSA-N 426.630 4.654 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CCC1 1740752977 DLOCFIMMMGCITF-YLJYHZDGSA-N 445.405 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(OC)C1CC1 1740769931 ZHYDVQCSPNHENH-LJQANCHMSA-N 439.423 4.987 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1740863710 DMQXQARPFKQUQC-XLIONFOSSA-N 434.943 4.509 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC2(CCOCC2)C1 1740872743 UNTKBAGPFBVBRO-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1740970295 IXNOSEGQBVUBIX-MSOLQXFVSA-N 426.458 4.804 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC(C)(F)F)C1 1740977503 HXQHSQBGYOOXMC-CQSZACIVSA-N 441.320 4.534 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1sc(C)nc1C 1748640074 QEUGLXQVDFPIKO-VQIMIIECSA-N 437.613 4.809 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCCC1(C)C 1748646494 ABGXAGVAGRJCSZ-SSOJOUAXSA-N 449.624 4.776 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1748654565 KGWUCWDXMZUSFD-WIYYLYMNSA-N 439.604 4.515 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1OC)C1CC1 1748706921 VHPCXFXCMWFLPQ-UHFFFAOYSA-N 435.959 4.975 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1Cc1cn(CCCCC)nc1C 1749061485 WVCFZYZOAWNYED-AREMUKBSSA-N 446.599 4.689 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC=C(COC)CC1 1749123765 IECVSDUUJLXOET-DYESRHJHSA-N 446.954 4.502 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749252624 TXSKISWTWACRTE-OPYAIIAOSA-N 446.979 4.575 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749416235 XAHXKOPGHLJNCW-UHFFFAOYSA-N 443.020 4.652 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1760332505 DNHCZNVJZMLPMF-XMMPIXPASA-N 448.615 4.532 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1760382681 WIJQSIDHSDINRK-STSQHVNTSA-N 430.980 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCN(C(=O)c3ccsc3)CC2)nnc1C(C)(C)C 1760417030 SNKPXWQFRYNOGR-UHFFFAOYSA-N 429.634 4.592 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2Cl)CC1 1760426195 IQLXSIMAVJWWAC-UHFFFAOYSA-N 436.991 4.985 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCO[C@@H]1CCCC[C@@H]1C 1760468257 NJAUUZJITXAVDW-SLFFLAALSA-N 447.624 4.568 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(NC(=O)CC(C)C)c1)C1CC1 1760473563 ZDWZHKMUANOSQG-UHFFFAOYSA-N 444.583 4.836 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCCCO1 1760482954 XZCJLDSQFCDOLB-QFIPXVFZSA-N 437.613 4.786 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC=CCO1 1760487937 HSYKGPDNRNRRMI-CEWLAPEOSA-N 442.629 4.796 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760562405 INHPYTWNIGICBB-UHFFFAOYSA-N 434.613 4.649 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760563593 WPILMEAMNJKZLF-PXNSSMCTSA-N 448.423 4.756 30 10 IJEE CCO[C@H](CCn1c(-c2ccc[nH]2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C 1765784545 HVYFSSZMWUTXRT-XMMPIXPASA-N 444.583 4.890 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C)cc1 1769841082 GHTPQGJNYHGRKJ-UHFFFAOYSA-N 449.624 4.999 30 10 IJEE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729586 WDQRJRCOXNPMIL-UHFFFAOYSA-N 439.368 4.657 30 10 IJEE CCOc1ccc(/C=C/C(=O)NCc2ccc(OC(=O)c3cccc(C#N)c3)cc2)cc1 1859032506 KKIPZXHVKDQPKO-XNTDXEJSSA-N 426.472 4.506 30 10 IJEE CCc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C#N)cc2)nn1Cc1ccccc1 1860838694 XAPWIWJBCILSMM-UHFFFAOYSA-N 449.514 4.870 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Br)cc1 1861113602 NMAIAULRNOGNFG-FQEVSTJZSA-N 437.422 4.849 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccccc1 1861140726 DDOQLZRVFICTJB-VWLOTQADSA-N 433.596 4.915 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862421698 NZHLBXSDBLAWEV-NRFANRHFSA-N 428.479 4.798 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccccc2C)cc1 1862475928 XRKUEXYRLYDGHI-DEOSSOPVSA-N 432.564 4.758 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C(=O)O)cc1 1862478136 ZRIOKTRBCBBFEQ-CNDZOEFASA-N 433.504 4.850 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(OCc3ccccc3)cc2)c1 1862568580 SLVDOCFXRKBEFI-DEOSSOPVSA-N 440.499 4.589 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCO)cc1 1862654198 XOOFZPZKUFWZOM-HSZRJFAPSA-N 429.516 4.708 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc2ccccc12 1862720452 WPXYMHFSMHJGSC-NSYGIPOTSA-N 437.495 4.952 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1862862801 HVSPIXTWLLTJHH-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE C=CCN1C(=O)C(NCc2ccccc2OC(C)(C)C)=C(c2ccc(OCCC)cc2)C1=O 1863683666 YUEADMVTNCKDER-UHFFFAOYSA-N 448.563 4.708 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@H](c1ccc(Cl)cc1)C(C)C 1868705561 MSKQDKZYCOIXOK-SFTDATJTSA-N 437.049 4.908 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)c(OC)cc3[C@@H]2C(C)C)nc(CC)n1 1869128067 MADWYDFLRLZOQT-SANMLTNESA-N 436.600 4.994 30 10 IJEE CC(C)COc1cccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)c1 1870153582 ARYFTBKTAZDNAG-UHFFFAOYSA-N 430.295 4.733 30 10 IJEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN(CCC)CCCC)cc1=O 1870386917 JIOIKYWOPURYJW-QHCPKHFHSA-N 432.992 4.812 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1CCCCN1CCCC1 1870623684 MDEYUHLPRJNTRY-UHFFFAOYSA-N 449.639 4.786 30 10 IJEE C=CCn1cc(OCCCCCC)c(=O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 1870674118 GABAXZNVIFCPMB-SDNWHVSQSA-N 449.639 4.824 30 10 IJEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870838359 ZYLVVPFTSMYCFC-UHFFFAOYSA-N 440.588 4.849 30 10 IJEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871407506 OPQWTGJTLWSJSJ-XYLCRUHJSA-N 444.487 4.811 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CC(O)C2)n1 1871506509 CMHJCPMQCRSPEW-UHFFFAOYSA-N 440.636 4.894 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(=O)(=O)CC 1871795218 KXWCMZNUDDBJSB-GOSISDBHSA-N 427.353 4.511 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871986710 FAYUGPDGPGFAIT-HTAPYJJXSA-N 446.588 4.981 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 1872266208 QAPGNFNVYQRRJN-INIZCTEOSA-N 430.954 4.525 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872432918 CABSLNKLHFCEFQ-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE N#C[C@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872760069 GMOBDQOZOIOZRF-CYBMUJFWSA-N 428.813 4.770 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OC 1872761274 JULBYZQCFRXKRW-CQSZACIVSA-N 443.868 4.879 30 10 IJEE CCCCCCCCNC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@@H]2SC1(C)C 1873886007 CJMPPAYORFPEMG-KNQAVFIVSA-N 434.602 4.529 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1cccn1C 1874196374 GXRPWGRYCIQRAL-BUVRLJJBSA-N 441.601 4.886 30 10 IJEE CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(Br)cc1 1874306567 DXGBXSYZVYDDIY-HYARGMPZSA-N 445.386 4.829 30 10 IJEE Cn1cccc1/C=N/n1c(CCc2cccs2)nnc1SCc1ccccc1F 1874371466 AMXQCYBRKWPUBL-OEAKJJBVSA-N 425.558 4.777 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)cc2)c1 1874452980 XXURITWRICVZOW-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE CCCSc1nnc(C2CC2)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874520570 KRGVIPFBVMQYCU-BUVRLJJBSA-N 436.537 4.768 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(C(C)C)cc1 1874522360 PHVBXZPJLXIMOD-ZMOGYAJESA-N 425.533 4.716 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2/N=C/c2ccc(C(C)C)cc2)o1 1874525380 KIMUSGYZZFJHHE-YDZHTSKRSA-N 426.542 4.908 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1 1874577088 VTNQFIJURNXXCM-ACCUITESSA-N 435.907 4.940 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1Br 1874601987 OASVCNHSXZFGDA-SOFGYWHQSA-N 448.269 4.585 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(OC)c(OC)c3)c2)c1 1874694647 NYHBZNLONACXAV-DHZHZOJOSA-N 448.471 4.836 30 10 IJEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OC(=O)c2cccnc2)c([N+](=O)[O-])c1 1875170781 PUXGKKIBVGSZIO-SOFGYWHQSA-N 432.432 4.731 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccc(F)cc3Cl)ccc21 1890602788 IBWFDHVSDHFKRU-UHFFFAOYSA-N 430.907 4.988 30 10 IJEE CC#CCCCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1891006002 SFSPHVLLYRGYHY-QHCPKHFHSA-N 437.561 4.905 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(C#N)(N(C[C@H]1CCCO1)C(=O)OC(C)(C)C)C2 1922286137 ZELXZLJXMOFKGT-GBESFXJTSA-N 449.592 4.617 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC[C@H]21 1940541112 IVDKTOJJRDRUKB-SXGZJXTBSA-N 447.498 4.858 30 10 IJEE N#Cc1ccc(N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c(F)c1Br 1948164796 SAWMVWIMDRJBTB-INIZCTEOSA-N 432.293 4.673 30 10 IJEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c(F)c1Br 1948164798 SAWMVWIMDRJBTB-MRXNPFEDSA-N 432.293 4.673 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)[C@H](C)C1 1949368274 ZELMYCRNLOFEKN-BWKNWUBXSA-N 428.621 4.512 30 10 IJEE N#Cc1csc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c1 1951851808 AWVZPDSUEWEWLH-LEWJYISDSA-N 444.512 4.669 30 10 IJEE N#C[C@H](C(=O)c1cc(I)ccc1Br)c1ccsc1 2035110421 JKWYSSRYCNNJIV-NSHDSACASA-N 432.080 4.605 30 10 IJEE N#Cc1cc(CNc2cc(Br)c(Br)c(Br)c2)ccn1 2095439563 LQAHPHOQLNYDIV-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2ccc(Cl)c(Br)c2F)C1 2126685633 SVUSXUZZEDSLAN-AWEZNQCLSA-N 447.776 4.973 30 10 IJEE Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc(Br)cc1C#N 2129306664 YDCODHHPSVGUEV-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE CCCCCC#CC[C@@H](NN)c1cc(Br)ccc1I 2139046584 OMWSEPNFRLGJCN-OAHLLOKOSA-N 435.147 4.532 30 10 IJEE CN1C[C@@H]2[C@@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2152859499 ZCWZMTLOLCLBKU-KLHJMIIUSA-N 434.378 4.815 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2156367660 MLBFQANEUZMDBJ-RBBKRZOGSA-N 428.370 4.935 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C 2203611788 FXGSWTFSAPHPTI-RTBURBONSA-N 436.394 4.931 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)c1c(NC(=O)OC(C)(C)C)cc(OC)cc1OC 2217422845 MYSWMWHXXOJFMJ-QFIPXVFZSA-N 428.529 4.824 30 10 IJEE C#C[C@@]1(Oc2ncc(C(F)(F)F)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2240998077 UNXSXMQZUAGKOC-QGZVFWFLSA-N 449.267 4.645 30 10 IJEE Cc1cnc(NC[C@@]23CC[C@H]2CCCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241053364 AVUXOZUMHWIWEC-AMGIVPHBSA-N 447.432 4.546 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C#N 2243924209 CUDPFGJVQANSLK-UQBPGWFLSA-N 445.563 4.844 30 10 IJEE CCCN[C@@H](CC#CC1CCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2261097451 OUVTUNSZKDZSMG-LOSJGSFVSA-N 441.660 4.964 30 10 IJEE C=CCCC1([C@@H](N)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266318111 OFXFUPVZMJQSSA-INIZCTEOSA-N 431.321 4.930 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(F)cc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267117362 XLGSREFCNSVBTB-IYBDPMFKSA-N 448.344 4.661 30 10 IJEE C=CC[C@@]1(COc2cc(Br)cc(F)c2N)CCN(C(=O)OC(C)(C)C)C1 2272150439 OXFVCWXMAUXDMN-LJQANCHMSA-N 429.330 4.753 30 10 IJEE CN[C@@H](C#CC1CCCCC1)c1ccc(Br)cc1I 2274071783 FYZZSAVXODBCQP-INIZCTEOSA-N 432.143 4.898 30 10 IJEE CC1(C)OB(c2ccnc(OCc3cc(Br)ccc3Cl)c2F)OC1(C)C 2295163662 IATVYXLKYBVKCV-UHFFFAOYSA-N 442.521 4.515 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@@H](N)C#Cc1cccc(Br)c1 2296278839 IEWMWBIOCZUEEC-FQEVSTJZSA-N 429.358 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 2296310279 HUHAGCSPXNFLLG-LSTHTHJFSA-N 435.406 4.672 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)c4ccc(F)cc4)ccc3C2=O)c1 2296865973 QJXGNODQWFWXQA-UHFFFAOYSA-N 434.419 4.721 30 10 IJEE C=CCOc1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 2297297251 WIZVCQYHQDTINI-UHFFFAOYSA-N 428.491 4.574 30 10 IJEE C[C@H]1[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317346252 FWWNHJPDPCXARD-FUHWJXTLSA-N 429.370 4.536 30 10 IJEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCCCN2CCCC2)C3)C1=O 2322379313 SWRRVFFSVNMNBP-UHFFFAOYSA-N 448.563 4.648 30 10 IJEE CCN(CC)c1ccc(C=NNc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1 2322624141 YUPZHBYOCYPZCD-UHFFFAOYSA-N 430.339 4.832 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2322687617 AHKQBWMCWVFAFK-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc2c(c1)OCCO2 2323584847 FYJYOWZOFCHCOT-JOCHJYFZSA-N 442.600 4.719 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1 2323842579 DKMIUQZESAXQMN-UHFFFAOYSA-N 445.515 4.685 30 10 IJEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(F)cc3)ccc2C1=O 2324305838 RBXUPIFSPIOYFG-OAHLLOKOSA-N 433.435 4.857 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCc4ccc(C(=O)OC)o4)cc(C)c3C2=O)cc1 2325382716 GNPNTTDOOQTMQF-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)OCCOc3ccccc3)c2C)C1=O 2325745132 CNVHXWYLOXJAGH-UHFFFAOYSA-N 444.483 4.921 30 10 IJEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccccc2O)cc1 2326684084 KDRTVPBXAQAGBN-UHFFFAOYSA-N 439.544 4.815 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)cc1 2328689834 AFNRCLUACKJBAX-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE CCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329176841 JGAOODMVKSZYBL-UHFFFAOYSA-N 440.569 4.690 30 10 IJEE CCCOc1ccc(C=Nn2c(Cc3ccc(C)c(C)c3)nnc2SCCCO)cc1 2329451247 PQAPPNWPKFVNJK-UHFFFAOYSA-N 438.597 4.631 30 10 IJEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1cc(OC)c(O)c(OC)c1 2330269844 GRTGOHYGXGYEQI-UHFFFAOYSA-N 430.574 4.674 30 10 IJEE COc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)cc1O 2330392397 XUUXCLBHSLHCTB-UHFFFAOYSA-N 436.562 4.819 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCOC)c(OC)c2)cc1 2330826053 JZYPBXDUQNLSFC-UHFFFAOYSA-N 426.509 4.884 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)c1 2331183240 HYIGSILLXDQXGY-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccc(O)cc1 2331323589 IBIDNBKGJZWVHA-UHFFFAOYSA-N 437.569 4.502 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(OC)cc1 2331324497 IKWLYCCLPOGKLQ-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE O=C(Cc1ccc(F)cc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2331440000 OXIVCODVASXELH-UHFFFAOYSA-N 449.390 4.507 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2C)cc1 2331440929 COYRGYGVSQCFOH-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3OC)cc2)c1 2331885348 OJWIKVFMVMKGMV-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339576260 GFHMRRVITSUITJ-LBEPJEHYSA-N 447.360 4.534 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC(Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2339580688 FLZNOAWSCZXKOG-UHFFFAOYSA-N 442.365 4.505 30 10 IJEE Cc1cc(CN2CC[C@@]2(C)CCOCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343696220 GDCBUEBFZCWHOC-MHZLTWQESA-N 435.417 4.866 30 10 IJEE CCCN[C@@H](C#CC1CC1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2362736589 LFNDUEPGAIQSRC-VQTJNVASSA-N 435.406 4.667 30 10 IJEE C=C(C)COc1c(Br)cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OC 1194611 QNBPSCYZVKQKSE-CAOOACKPSA-N 446.272 4.896 30 10 IJEE Cc1ccccc1NC(=O)CCSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 20905427 PWCZUGJQXFNHEF-BUVRLJJBSA-N 430.537 4.833 30 10 IJEE Cc1nn(-c2ccccc2)cc1/C=C1/CN(C)C/C(=C/c2cn(-c3ccccc3)nc2C)C1=O 25315788 JNJSCPZYJOASTQ-MQDDAKQZSA-N 449.558 4.656 30 10 IJEE Cc1ccccc1-n1c(N/N=C/c2ccc(Br)cc2)nc2ccccc2c1=O 27500115 JQDNALNCAKUGMM-ZVHZXABRSA-N 433.309 4.903 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)c2ccc3c(c2)OCO3)c(OC)c1 34954231 ZUPONFHCECPLFC-YRNVUSSQSA-N 432.428 4.548 30 10 IJEE C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 36146556 CMAYANNPZMFRJI-YADHBBJMSA-N 449.378 4.552 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 36146579 DTBGMLRLVKGLJD-PMACEKPBSA-N 449.378 4.552 30 10 IJEE Cc1csc(/N=C2/S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N2C)n1 39865179 SGDWKNIMRUKPMB-IQLOBFSESA-N 426.479 4.854 30 10 IJEE C=CCc1ccccc1OCCCCn1c([C@@H](C)N2CCN(C)CC2)nc2ccccc21 39917216 WZVPUASZYRXKKJ-JOCHJYFZSA-N 432.612 4.932 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c(OC)c1 41292370 NHCXDHPDLAIGNI-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2OC)C4=O)cc1 41653742 LDJPTEJQWTZJMC-CFRMEGHHSA-N 429.472 4.672 30 10 IJEE Cc1ccc(-n2nc(C)c(/C=N/Nc3ccc(I)cc3)c2C)cc1 59157050 YIOPUMVIWKHSSQ-CIAFOILYSA-N 430.293 4.848 30 10 IJEE C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OCCCCCCC)cc2)cc1 100153334 LBVCBPOWDKGVCW-UHFFFAOYSA-N 430.570 4.752 30 10 IJEE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101109813 WDQRJRCOXNPMIL-CFRMEGHHSA-N 439.368 4.657 30 10 IJEE C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N\CCCCCCC(=O)OC 103884399 STIXHJDOQVONMX-WFAAQJSFSA-N 445.610 4.639 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(OC)c2OC)cc1 169951353 IHWDHUYGTHCEMJ-JOCHJYFZSA-N 435.520 4.787 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2ccco2)c1 170038908 KLNNOACEOZHBCB-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE O=C(O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccccc2)cc1 170051201 TYPWWPHJVKKEPB-OAQYLSRUSA-N 447.874 4.817 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)c1 170095564 GKYMSMAEZJPXKC-JOCHJYFZSA-N 441.443 4.502 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)cc1C 170144401 PSIQECIRIRTWCJ-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC(C)C)cc1 170151624 RPYMMLVUWCLCFL-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccs2)c1 170153753 DSRZYSPSAMHCTA-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)cc1C(C)C 170177842 INJSOQHPRUXHGO-QHCPKHFHSA-N 446.503 4.975 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 170188408 MYBIXSPQHZXBNU-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)c1 170224809 YGVMTIJZICJHLM-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 170238244 JUMNGIYRIMISAM-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 170242852 BMORPUNHMOMKTD-QHCPKHFHSA-N 432.495 4.509 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 170256860 HJIGBBTXVNHYBD-IBGZPJMESA-N 425.893 4.886 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccco2)cc1 170285410 PDCMMLZEHGDANS-QHCPKHFHSA-N 445.471 4.786 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(C)o1 170305598 RIGGYOPEWMLGNS-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(=O)OC)cc2)cc1 170392006 URHAFFCGLOITQO-QHCPKHFHSA-N 441.483 4.819 30 10 IJEE C=C(/C=C/C(=C\C)N1N=C(C)/C(=C\c2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)C1=O)CC 229771613 DZVYXLGRIWUMJA-DKNHULQESA-N 441.487 4.858 30 10 IJEE Cc1c(C=Nc2cccc(NC(=O)c3ccco3)c2)c(O)n2c(nc3ccccc32)c1C#N 254873456 MLUPCIGMTFZTOY-UHFFFAOYSA-N 435.443 4.969 30 10 IJEE CC(=O)N1CC[C@H](Nc2cc(C)c(C#N)c3nc4ccccc4n23)c2ccc(F)cc2C1 302179664 DMXGCHXMMKFPCO-NRFANRHFSA-N 427.483 4.712 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 489738414 CJHMALZOXZALMZ-RBUKOAKNSA-N 446.535 4.712 30 10 IJEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(F)ccc2F)cc1 526744981 VVZCXJVDGQPLQR-JOCHJYFZSA-N 449.409 4.673 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2cccc(C(F)(F)F)c2)cc1 526827611 YMASXLHVWBRHOJ-MYKKPKGFSA-N 434.443 4.566 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(Oc2ccccc2Cl)CC1 533147563 GROXTSOAFAXUTD-SFHVURJKSA-N 441.959 4.527 30 10 IJEE C[C@@H](C(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1)n1cnc(C#N)n1 541551350 ITUOMRFBIODUDQ-NSHDSACASA-N 446.692 4.558 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H](CN4CCCCCC4)C3)n2)c(Cl)c1 543891812 ZRLMMTUUFKERIA-LJQANCHMSA-N 440.979 4.517 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 548957331 NEBQWIGMXSLEGG-HSZRJFAPSA-N 443.551 4.608 30 10 IJEE C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCO[C@@H](C2CC2)C1 549293838 POYLETYYWYBBLG-XMMPIXPASA-N 430.552 4.715 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(F)c1 609252974 LUJWMSGTDDNOFU-UHFFFAOYSA-N 425.467 4.549 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC[C@H]2C1 698867982 PAAFJGBMJKTXBN-BXTJHSDWSA-N 447.498 4.715 30 10 IJEE Cc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)c(C)n1-c1ccc2c(c1)OCO2 731563308 OWYPLCAQEUKJNZ-UTCJRWHESA-N 430.382 4.838 30 10 IJEE C#CCN(C(=O)NC/C=C\c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 733348035 FQNHFLPEYPIKFX-QKWWCAPFSA-N 425.326 4.631 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)CCC[S@](=O)c1ccc(Br)cc1 735206782 DJUGPUOVIKGZPS-SANMLTNESA-N 437.355 4.680 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cccc(-c2csc(C)n2)c1 745672309 GNKUYRJAGYOSRE-MRXNPFEDSA-N 449.532 4.619 30 10 IJEE CC1(C#N)CCN(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)CC1 786188595 DHWOCZCNBLKKRZ-UHFFFAOYSA-N 440.466 4.888 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 800784583 NZZDJYWZOAGWQF-UHFFFAOYSA-N 439.563 4.784 30 10 IJEE CCOC(=O)c1sc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)nc1-c1ccccc1 1124527003 CRSVXUJOTRFMTH-UHFFFAOYSA-N 435.480 4.668 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003683 WHHGNDMTZKWMPS-RDPSFJRHSA-N 437.580 4.940 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1 1128193512 MNSFBHFAXSNMKH-UHFFFAOYSA-N 440.584 4.890 30 10 IJEE C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1128369262 DTTDHNAJNQQNGU-SNVBAGLBSA-N 429.192 4.625 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)cc1 1134901014 QSPQSMFEHKGNBM-UHFFFAOYSA-N 446.482 4.925 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 1142470021 QXQFXRPCPPKFPQ-DLBZAZTESA-N 444.906 4.818 30 10 IJEE C=CC1(CC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CN(C(=O)OC(C)(C)C)C1 1155814266 PQLKVPOFDWUTRS-UHFFFAOYSA-N 436.965 4.554 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)nc1C)c1ccc(Cl)cc1 1160817379 ZHSGLVPNMONQAS-LJQANCHMSA-N 428.717 4.701 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCN(C)C(=O)OC(C)(C)C 1161335565 JCWQGTOGSPTKQH-UHFFFAOYSA-N 427.339 4.600 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1166454915 WBHYXTYATSYOCQ-QFIPXVFZSA-N 440.584 4.588 30 10 IJEE C#CCN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H]1CCOc2ccc(Br)cc21 1167421110 OSUSVFOIKLXODH-ZVZYQTTQSA-N 432.280 4.708 30 10 IJEE COc1ccc(-c2nc(SCc3coc(-c4cccc(OC)c4)n3)nc(O)c2C#N)cc1 1188291776 LHKRLPGDIGFGBF-UHFFFAOYSA-N 446.488 4.685 30 10 IJEE C/C(=C\c1ccccc1OC(F)F)CN1CCN(c2c(C#N)cnc3ccccc23)CC1 1204755458 DJVYTCDRFRUDQH-NBVRZTHBSA-N 434.490 4.933 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br)c1ccccc1 1216524900 SIQYYPRSBZZVTF-QGZVFWFLSA-N 429.314 4.900 30 10 IJEE C#C[C@H](NC(=O)N(C[C@@H](O)COc1ccccc1SC)C(C)C)c1ccc(Cl)cc1 1252448585 JBYFFRTTXMKWCS-UXHICEINSA-N 447.000 4.596 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)COc3ccc(C#N)c(Br)c3)c2C#N)CC[C@H]1C 1274491346 CFPVFNQNKGLWPP-NEPJUHHUSA-N 444.354 4.957 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286403653 NKTZYGJPBGYOAP-XWGVYQGASA-N 430.596 4.879 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1286508912 RRMYOGSYGPWOIK-NRFANRHFSA-N 426.605 4.585 30 10 IJEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N(C)OC1CCCC1 1286532597 HBTJPFUNXBLGMN-UHFFFAOYSA-N 428.334 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C)[C@H]1CC 1286565137 JDYHBZPRNPOMNL-QWIQJREVSA-N 428.552 4.602 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(CC)C1CCCC1 1286568117 XSJHXVHVRMYYOA-BWKNWUBXSA-N 438.616 4.822 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(CC)CC)nc2)CC1 1286653559 BDFGVKAXTABUAA-UHFFFAOYSA-N 441.583 4.509 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(F)(F)F)c2)CC1 1286664885 KTOWPXBDMQTILD-UHFFFAOYSA-N 444.505 4.609 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@H]1C 1286676096 VXZLJADAIJJPLL-OAHLLOKOSA-N 439.387 4.991 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1)c1ccccc1 1286678442 WWCHSGPNRPGYSL-VWNXMTODSA-N 447.631 4.886 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1Cc1nc(C(C)C)cs1 1286744828 NCFCLMPJCVTUSD-GOSISDBHSA-N 441.576 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@@](C)=O)CC1 1286754970 YCGOYSDZANRXEY-GDLZYMKVSA-N 447.029 4.903 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1cccc(C(F)(F)F)n1 1286756405 WEXPMORQIFPXFJ-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC[C@@H](F)C2)C1 1286801877 JOTOJOVSYVGVEA-KFKAGJAMSA-N 449.368 4.627 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCCCC2)c1C 1289092397 GZZZUHAVBRTCED-UGKGYDQZSA-N 438.620 4.507 30 10 IJEE Cc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 1290020228 CPCCRZYUKRDRKR-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 1293976463 NXSVTVIZTGDFDH-MNOVXSKESA-N 441.903 4.765 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCCC[C@@H]1C 1300276057 GAJXMXZVALBNMX-MOPGFXCFSA-N 445.558 4.659 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)CCC 1300282846 QLJLFIVISRTMAX-MWTRTKDXSA-N 426.561 4.822 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1300770249 QIMMKCUDETYCER-RUZDIDTESA-N 436.625 4.859 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCCOc1ccccc1C 1300880422 ILSBSPPFRINJSO-LADGPHEKSA-N 447.583 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)N1CCCC1 1300919065 TYKGTRZFCUELAN-NRFANRHFSA-N 436.629 4.565 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(OC)C1 1300962689 ADJBITYSMMENPP-FQEVSTJZSA-N 425.360 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cn2cccn2)CC1 1301142131 WNAYHJQJZJPOBW-UHFFFAOYSA-N 434.588 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1301155092 HKHMIKZTWJRQRN-UHFFFAOYSA-N 434.588 4.898 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1301158566 IYJIRRFQTNPEPQ-IEYFXREMSA-N 430.618 4.667 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1301176178 RLNUSOCUZHETGY-IRXDYDNUSA-N 446.617 4.657 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1csc(C(C)(C)C)n1)C1CC1 1301320378 BEGVGSHJRKHLGU-UHFFFAOYSA-N 432.597 4.968 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccco1)N1CCCCC1 1301380941 PIDBVNFFJNOWKO-QFIPXVFZSA-N 432.572 4.647 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1301432863 FRHWICMZUKWCON-OBXNSHGQSA-N 444.023 4.958 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301602350 OLPKFVUPDMJIPR-RBUKOAKNSA-N 449.020 4.674 30 10 IJEE CC(C)[C@H](CCN(C)c1ccc(C#N)c(Br)c1F)NC(=O)OC(C)(C)C 1306982045 KDKNYIXPWMIRGX-AWEZNQCLSA-N 428.346 4.835 30 10 IJEE COc1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)ccc1OCc1cccs1 1308450866 BVADEXHURSUGAL-UHFFFAOYSA-N 447.604 4.962 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)C1 1320063224 DFDSYCZYTDEOGJ-CQSZACIVSA-N 428.842 4.568 30 10 IJEE C#CC[C@@]1(C(=O)OCc2sc(-c3ccccc3)nc2C)CCCN1C(=O)OC(C)(C)C 1352994729 JNFMLLRWXSIWSZ-DEOSSOPVSA-N 440.565 4.955 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 1357174207 AGQZVMQHSWJAIF-JWGURIENSA-N 445.523 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1358885123 DIZYBYFTLFPDTC-HXUWFJFHSA-N 432.616 4.642 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(-c2ccsc2)nc1 1359013578 DXYNJTAXCUPSKH-UHFFFAOYSA-N 447.539 4.628 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCCSC 1359086722 GWPFRCDZLNMYHH-UHFFFAOYSA-N 439.423 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1359113293 FEQGOIBLEWWLHG-SLFFLAALSA-N 445.652 4.772 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1359124404 BOSYNDMLNPIVAC-GOSISDBHSA-N 442.560 4.819 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCC[C@@H]2C)CC1 1359166155 HYOORKORZXOLFI-IBGZPJMESA-N 429.559 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359187876 ALLWMMAQPXAYJE-UHFFFAOYSA-N 427.618 4.562 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](C)(C(=O)NC)C1 1359199904 LPBXUJBERFYULT-NRFANRHFSA-N 436.387 4.571 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359200660 MVZGLSKSCNKAIE-MRXNPFEDSA-N 425.474 4.513 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1359255805 LLEYGNGJSUGWGS-ISKFKSNPSA-N 446.624 4.795 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H]1CC12CCOCC2 1359256357 DASZVGKHVWVHLN-JOCHJYFZSA-N 433.600 4.748 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCSC(C)(C)C1 1359345513 IPEDWCLIAAHWMR-UHFFFAOYSA-N 427.643 4.532 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc3ccc(Br)cc3c(=O)o2)c1 1435008844 LYLXGVKIOPSQFC-UHFFFAOYSA-N 448.272 4.977 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1435136564 MANRJGJWHQUTKJ-XMSQKQJNSA-N 442.918 4.818 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)c(OC)c1 1438938347 XDXAKDZTBDDTNW-OAQYLSRUSA-N 431.536 4.599 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccnc1)Cc1ccccc1C 1442020564 COWPACOQIJJAHA-NRFANRHFSA-N 443.975 4.955 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)cc(OC)c1OC 1442527341 UBQJYUMHQYGBLJ-UHFFFAOYSA-N 443.258 4.716 30 10 IJEE C=C(CC)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1451450699 JYIZUBUIWWFZST-RUZDIDTESA-N 425.532 4.745 30 10 IJEE C=CCCC1(CNC(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CCCC1 1453342190 BJMLODXNGGKKFP-UHFFFAOYSA-N 437.565 4.583 30 10 IJEE CCOC(=O)c1c(CC(C)C)csc1NC(=O)COc1c(C)cc(Cl)cc1C#N 1459138857 DEFSIVAPOVQUET-UHFFFAOYSA-N 434.945 4.974 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)Nc3cc(C#N)c(F)cc3F)C2)C1 1467184889 FQJAPAQLDXPGFC-HOTGVXAUSA-N 448.514 4.727 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1 1470600864 GQSNXQBGZGAIKI-FQEVSTJZSA-N 427.932 4.538 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H]1CCCCN1Cc1ccccc1 1473738378 LPSBYAJGHHPWLS-JTHBVZDNSA-N 425.642 4.638 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 1475223585 HTZHSFOTDCJHEC-QGZVFWFLSA-N 443.725 4.543 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12)c1ccc(Cl)cc1 1475365377 FLHRDPRXWMCSAS-GOSISDBHSA-N 435.879 4.790 30 10 IJEE C#CCN(C)CCCNC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(OCC)cc1 1475874599 SSKOSGJMXVKOCI-UHFFFAOYSA-N 449.473 4.973 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 1476102533 FYQLVHHCDNZONH-KRWDZBQOSA-N 438.446 4.513 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507547637 PEASUGCTWIPKOK-PFAUGDHASA-N 444.664 4.884 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](CCC)C1 1507557575 RAWMRBRJWNMONW-GHTZIAJQSA-N 430.980 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@@H](SCC)C1 1507797889 SXJCIGSLKBOJOC-ZVDOUQERSA-N 430.618 4.940 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(CCOC)CC(C)C 1507798302 VDZSRUSUNPKBSO-ZJSXRUAMSA-N 449.599 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1507913997 DIRSGGWNXWCDRC-HZPDHXFCSA-N 438.601 4.526 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1507931251 YXUDWMMSFMNNLZ-UHFFFAOYSA-N 442.567 4.924 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1507936593 DGTSXSDVLKTDPE-KRWDZBQOSA-N 449.020 4.970 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507939045 LFRWSOVTLZIYJN-DEOSSOPVSA-N 436.648 4.713 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1507946979 ZVHQASNVCJDUNG-UHFFFAOYSA-N 442.608 4.713 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1cccs1)N(C)C)C1CC1 1507997223 SSQOXFWGWNQXHE-FQEVSTJZSA-N 425.577 4.527 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@H]1OC 1508011840 OLICFCHENACARY-LSDHHAIUSA-N 437.407 4.763 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1cc(Cl)c2c(c1)OCCO2 1508020864 KIOMBUNASCAEBF-UHFFFAOYSA-N 442.972 4.582 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCCCCC1 1508036820 GLJXZOIJNGCYQY-UHFFFAOYSA-N 440.632 4.967 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)c2c(C)noc2C)C1 1508113277 WJDUQWYJPWHMDO-YJBOKZPZSA-N 441.963 4.788 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1508165338 RVRKLWHGZUGHSL-NRFANRHFSA-N 448.583 4.786 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@@H](C)N1CCCCC1 1518000910 GYSUMAKRKCWUFS-ZWKOTPCHSA-N 445.011 4.610 30 10 IJEE COC1CCC(CCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@@H](C)CC#N)CC1 1518555300 AQYJBJLUOOBVPO-JSOIOWGOSA-N 448.571 4.934 30 10 IJEE C=CCOc1ccc(COC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 1521577686 AHJOKWLPIFEYHF-UHFFFAOYSA-N 437.565 4.833 30 10 IJEE Cc1nc([C@@H]2CCOC2)sc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1526015827 BOZMFMKPZMLWIN-HXUWFJFHSA-N 435.524 4.809 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1527931547 HBUADMYSOVVVFD-IERDGZPVSA-N 435.326 4.867 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)c1ccc(Cl)cc1 1528062356 ZRIATDGNBGUXQK-ILBGXUMGSA-N 432.951 4.667 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)cc1 1528315737 CQFHAMNKXMCGBD-GHTZIAJQSA-N 443.588 4.625 30 10 IJEE C#CCN(C(=O)c1ccc(N(C)CCC)cc1)[C@H]1CCOc2ccc(Br)cc21 1529627644 SSWCXOUFIVUUCS-NRFANRHFSA-N 441.369 4.895 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1OC 1530658331 AXJQWSPWVRGZJI-QXFGJRORSA-N 426.944 4.712 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1 1532963694 OVXSNZICDMMBDI-GFCCVEGCSA-N 441.377 4.602 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@@H]2CCC[C@@H](C#N)C2)cc1OC 1535478672 GGRLBYUAZJDVCL-TZIWHRDSSA-N 445.519 4.855 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1COc2cc(OC)ccc21 1536695156 SWECYDHMPOJGOK-HNNXBMFYSA-N 434.305 4.678 30 10 IJEE C[C@H](C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1)n1ccc(C(F)(F)F)n1 1538430696 GRWUNPOYIVOWMO-GFCCVEGCSA-N 437.359 4.969 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCO[C@@H]1CCCC[C@@H]1C 1538993234 HFYOJCLYZLNPGR-ABSDTBQOSA-N 445.405 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CCC1 1539623606 MXHZJEUWYFMOKE-UTKZUKDTSA-N 430.980 4.825 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCOC1 1539953907 PPNIEKOAJHNYKY-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](CCC)C1 1539989920 AICRTKARWVGOCQ-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCc1cccs1)C1CC1 1540094196 DLURKQYTARSAME-UHFFFAOYSA-N 432.391 4.505 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1csc(CC)n1)C1CC1 1540108240 HTHSXOSPIXXKOA-UHFFFAOYSA-N 429.540 4.564 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1CCc1ccc(Br)s1 1540171932 JRKTXLGPBOPKOU-UHFFFAOYSA-N 444.402 4.509 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C(F)(F)F)C1 1540895172 MONDIRNJQXDESP-IBGZPJMESA-N 434.506 4.859 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCCN(C2CCCC2)CC1 1540911979 IDNNOGUPAWSTMP-UHFFFAOYSA-N 425.646 4.627 30 10 IJEE C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1542531977 XFLGEYRICPBOKJ-RXVVDRJESA-N 439.408 4.598 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 1543040170 ZFOWEFQNXWSLOS-MJGOQNOKSA-N 432.973 4.914 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 1555844904 DCDDFRMLMJVRMA-UZLBHIALSA-N 439.610 4.883 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(C)C)Cc2cc(OC)ccc21 1557108116 QVRYSFCETJMWOR-IEBWSBKVSA-N 436.980 4.892 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccccc2Cn2cncn2)cc1OCC 1560388154 LVYGZVKPXWNWSO-UHFFFAOYSA-N 443.345 4.665 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CCOCC1 1562208270 RFPMCNDZGQUBMN-UHFFFAOYSA-N 445.922 4.656 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c(C(=O)OC)c1)c1ccc(Cl)cc1F 1562634229 JVZAVCNHRRSGOK-MRXNPFEDSA-N 439.668 4.524 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 1562640229 GZIBOJJBUUWEKQ-VWLOTQADSA-N 431.580 4.853 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1564599532 MKXWPFGVSOYVFN-IRXDYDNUSA-N 425.248 4.769 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1583549259 HRKHLJMXXVWXQD-FPOVZHCZSA-N 442.918 4.944 30 10 IJEE C=CC[C@]1(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1587488157 LTTJBRDLBZJFMX-AJEPASEPSA-N 447.664 4.691 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1587883427 AJHOVPAZISVCOW-HSZRJFAPSA-N 446.599 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1ccsc1 1589185756 JIEFIYJRRANXGW-XMMPIXPASA-N 436.581 4.649 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cscn1 1589515195 MALSDNYVZTUSDJ-DNVCBOLYSA-N 429.977 4.673 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1593844597 CYOQXZKEHISHNT-KRWDZBQOSA-N 442.951 4.597 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(N(C)C)CCC2)CC1 1594192452 IJKOEFFEGXVDAD-GOSISDBHSA-N 444.023 4.958 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C2CC2)CCC1 1594956269 JLTFXRQMNFWYIC-UHFFFAOYSA-N 429.609 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H](C)c1nccs1 1595162093 VXMWOZDUINZKKZ-KRWDZBQOSA-N 436.610 4.778 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCSC1 1595229137 OPLRSUKQCKTPQO-INIZCTEOSA-N 449.418 4.551 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCCO1 1595260038 GEDLMATWAKLMLG-OTPAQWSUSA-N 442.604 4.594 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N4CCO[C@@H](C#N)C4)n3CCCC(C)(C)C)cc2C1 1612734765 DQNSXEHMYQVQIV-AEFFLSMTSA-N 427.618 4.686 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1cccc(F)c1 1621696744 GIBDGXVPBCMSBZ-KRWDZBQOSA-N 425.323 4.526 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)cc(C)c1N 1626172507 STSAGWZDSKCPPN-UHFFFAOYSA-N 440.135 4.919 30 10 IJEE C=CCC[C@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)C(=O)OCC 1627752938 VSJRPXBWXINOFY-HNNXBMFYSA-N 426.460 4.765 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(CC)c1C(=O)OCC 1629800505 YWFOQOIVJDVVLW-MRXNPFEDSA-N 438.590 4.984 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 1633905592 MUQRGKMVROSACQ-ACRUOGEOSA-N 432.561 4.557 30 10 IJEE C=CCC1(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(OCC)cc2)C3=O)CCCCC1 1635575906 DWHVSIIZIPAABV-UHFFFAOYSA-N 432.520 4.895 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N=[S@](=O)(CC)c1cccc(Cl)c1 1637323503 WTLKJBMKTYTWOJ-LJAQVGFWSA-N 429.929 4.778 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)C3(c4cccc(Br)c4)CCCC3)CCO2)c1 1637815969 ADIVVZYFDYGKJS-NRFANRHFSA-N 439.353 4.733 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CCCC(C)C)Cc3ccc(C)o3)ccc2c1=O 1644800556 RJZGBQCZWRKMHD-UHFFFAOYSA-N 439.581 4.851 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C(F)(F)F)CC[C@H]2C)n(-c2ccc(F)cc2)c1C 1645250912 FNOIGKRMEBYDFW-CZUORRHYSA-N 436.453 4.706 30 10 IJEE C#CCN(Cc1ccc(Br)o1)[C@@H]1CCOc2ccc(Br)cc21 1651992207 KRWUWNXZHNJPIZ-OAHLLOKOSA-N 425.120 4.764 30 10 IJEE C=CCN(CCc1ccccc1)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1657138494 ZAOKOMPXPNQEAK-KRWDZBQOSA-N 436.537 4.776 30 10 IJEE C[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 1658157872 BSCJIVZBYURYCF-BFUOFWGJSA-N 428.355 4.828 30 10 IJEE Cc1cc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1OCC(F)(F)F 1659455570 CICPSROFTONYBV-UHFFFAOYSA-N 446.473 4.594 30 10 IJEE COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1Cl 1660463828 FVMBDDMPPDUOEY-NRFANRHFSA-N 447.343 4.942 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 1665597329 BSGQQZFAUBHNBN-LJQANCHMSA-N 433.474 4.851 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Br)cc1 1666013857 LVWMCNOBZHLINY-VQTJNVASSA-N 429.314 4.503 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H]1Cc1ccccc1Br 1668990246 BABWELMKKSDYAF-KRWDZBQOSA-N 431.305 4.839 30 10 IJEE Cc1c(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cnn1C1CCOCC1 1673627492 FAPRFJIEBRPMED-UHFFFAOYSA-N 445.523 4.832 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1cc(Br)ccc1I 1673751044 AVISALKRPNBXIY-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE C=CCOc1cccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 1673782301 HRZHILYWLYATHN-SJORKVTESA-N 443.466 4.561 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCCc2ccccc21 1675037948 LNEVBCLPHSVJRW-DENIHFKCSA-N 425.935 4.780 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1675445703 WGDYGZNXSWSMAZ-NRFANRHFSA-N 431.914 4.600 30 10 IJEE C=CCC1(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)CCCC1 1681085120 PZKHIZWJCOWIQG-HXUWFJFHSA-N 428.577 4.522 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(Cl)cc1F 1681469572 FHMZJIPOZHIRHT-LPHOPBHVSA-N 449.954 4.775 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1(COC)CCCCC1 1689867289 RHFITZIHOJCGOD-LJQANCHMSA-N 442.629 4.634 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CCC 1689887272 VJOSBCQGLNEQPK-IBGZPJMESA-N 434.588 4.664 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](F)c1ccc(Br)cc1 1690081259 CAUIIKHZILYAEH-GOSISDBHSA-N 447.377 4.863 30 10 IJEE C#CCSCCn1c(N[C@@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1cccnc1 1690186818 VBUFIXFEJISSLR-JXFKEZNVSA-N 441.988 4.548 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](OCCC)CC1 1690231491 DBFODQXYVFAFCD-HXUWFJFHSA-N 447.421 4.757 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCCSC 1690248145 KVLHPOQUWWADLI-WIYYLYMNSA-N 435.037 4.693 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)(C)CC1 1690255522 RXPCOCOCZFIPRT-DOIPELPJSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(OCC)cc1 1690276182 OCXBLFNDLDRGHF-UHFFFAOYSA-N 444.377 4.657 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1690280316 DUWIZPZMMHRGQZ-AZUAARDMSA-N 425.577 4.651 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1690364166 LAUBXKMKCMOJII-NFBKMPQASA-N 441.595 4.834 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690449892 UILKSMZNQDTXKA-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N(Cc1ccnn1C)C1CC1 1690454868 ALVHDTDBSIVIEN-UHFFFAOYSA-N 428.943 4.996 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1690483677 UQEVZQSYYXHUSV-UZLBHIALSA-N 434.943 4.509 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1690503047 NSAARNSFGKPNCR-FQEVSTJZSA-N 439.947 4.633 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1690534802 MCUIWDPUVCMEDD-OYRHEFFESA-N 427.662 4.869 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1Cc1ccnc(-n2cccn2)c1 1690567996 XBOWNAUYFLVBOD-LJQANCHMSA-N 445.546 4.752 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cccc(CN(C)C)c1 1690576159 PHDSMJYYSQETHH-UHFFFAOYSA-N 446.624 4.648 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1693660538 AAUOSZXIMZLLGD-AMGIVPHBSA-N 448.659 4.704 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1oc(CC)nc1C 1705502907 KRIMNIFGTKMKDR-QGZVFWFLSA-N 435.572 4.520 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1705616799 NTGRVMAPTLVGOS-OKZBNKHCSA-N 443.389 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C)CCC1 1705672603 CWCYFBUGBLJBGF-RUZDIDTESA-N 441.620 4.575 30 10 IJEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CC=C(C(F)(F)F)CC1 1705826833 KUFRALIRTAUGBI-UHFFFAOYSA-N 432.446 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCCCCC1 1705837597 HTRNBOSGJBDJDZ-UHFFFAOYSA-N 433.394 4.724 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1 1705847012 BOFDHPHSMGJAAQ-FQEVSTJZSA-N 435.018 4.815 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1Cc1ncccc1C 1705868261 HDGOCDLFGHINQC-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1705921214 NXCMHSUJYQTQJH-WIYYLYMNSA-N 446.542 4.951 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCC2(C)C)c1 1707332965 BAIILCNPRMVBGR-CYFREDJKSA-N 425.552 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)c1nc(C)cs1 1722302980 MNGFAXIQSZQGPU-HOCLYGCPSA-N 429.977 4.537 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(OC(C)(C)C)CC1 1722336077 IOQKDBSCDYXXKY-UHFFFAOYSA-N 433.556 4.797 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1SCCc2ccccc21 1722416561 NGKVTNKQFMTDKW-YPAWHYETSA-N 438.641 4.687 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC=CCC1 1722490472 YYGKCCZJFZYSIR-UHFFFAOYSA-N 431.378 4.830 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1cnn(CC)c1 1722520500 UMWULONFXNYTAY-UHFFFAOYSA-N 432.528 4.546 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1722520663 DKPPQHBBZUEIFP-HXUWFJFHSA-N 448.571 4.769 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C(C)(C)C)C1 1722531841 YWAYBMIEIVHXCZ-FQEVSTJZSA-N 434.588 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722585338 XEABZNCJHLGZRA-UHFFFAOYSA-N 448.958 4.736 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(CC)C1 1722600392 ODAMZXHVEXHTJY-RUZDIDTESA-N 434.588 4.658 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(NC(C)=O)CC1 1722602187 RWHCGGJGYXWYLO-UHFFFAOYSA-N 436.387 4.713 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CCc1ccc(Br)s1 1722682250 YQQZRDPPHWLELG-UHFFFAOYSA-N 441.439 4.572 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1ncc(CC)s1 1740572680 SLXLBDPEBDCENM-UHFFFAOYSA-N 430.581 4.952 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCc1nc(C)cs1 1740726445 ADIJLDCIECJEHQ-XMMPIXPASA-N 430.581 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCC(=O)Nc1cccc(Cl)c1C 1740772279 HCLOWMVVLJQWDW-HXUWFJFHSA-N 445.995 4.913 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCOc1ccc(F)cc1 1740808064 XPOBGVPVSHCTEA-UHFFFAOYSA-N 436.318 4.790 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2csc([C@@H](C)OC)n2)CC1 1740835432 RYEQFRFIYFUCNI-MRXNPFEDSA-N 439.585 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCCOC)CC1 1740836296 NPAQLSSHGDKWHK-UHFFFAOYSA-N 447.004 4.879 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1740846348 VWDFQFVTSKULKZ-OAHLLOKOSA-N 426.515 4.683 30 10 IJEE C=CCCCCn1c(N2CCC(C)(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740866494 FUVQTMQOULIGSI-KDURUIRLSA-N 442.608 4.535 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2ccccc2[C@@H]1C)C(C)C 1740927048 QEOSLWVRBZHSRR-UMXIMWEHSA-N 449.643 4.604 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Cl)nc1 1740936308 OVGHJIGNGFSQLS-UHFFFAOYSA-N 444.926 4.742 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)O[C@H](CC)C2)cc1 1740967819 RGJQAUSQPVQKKW-WIYYLYMNSA-N 438.597 4.547 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1741000201 VVSWOOWPRRSSDT-OAHLLOKOSA-N 429.540 4.605 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1Cc1ccnc(OC2CCCCC2)c1 1748660648 VXQWCEJSQWKOCC-SFHVURJKSA-N 433.531 4.697 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1748710452 QDEQWDBXURXEIQ-NRFANRHFSA-N 448.615 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C)c(C)s1 1749060167 KEPDNIQQMDFWJZ-JOCHJYFZSA-N 441.988 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)Cc2ccccc2OC)nnc1C(C)(C)C 1749140786 SKRJBGGYDUCVCC-UZKOGDIHSA-N 426.605 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1749155756 KCMVAJCMROFENS-XZOQPEGZSA-N 425.621 4.787 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1749218413 OBDZSPJWQPVFCJ-ROUUACIJSA-N 445.405 4.701 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1OC 1749416193 VYHPWQLKFYRAGF-UHFFFAOYSA-N 430.350 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1sc(C)nc1C 1749475825 QLONQKYFVDPREI-UHFFFAOYSA-N 436.354 4.591 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CCCC2)n1CC1CCN(C(C)=O)CC1 1749585701 CFLSLHHPXZLUMU-UHFFFAOYSA-N 449.643 4.504 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)c1nc(C)cs1 1749592653 SRVTZARRHMRZSK-OAHLLOKOSA-N 431.993 4.806 30 10 IJEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1nccs1 1751121200 AVEPWEGYOIQKOC-WMLDXEAASA-N 446.502 4.856 30 10 IJEE Cc1ccoc1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCC#N)CCC(C)C 1751367471 AOXCWRYZHZSFCG-UHFFFAOYSA-N 443.555 4.847 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1760139661 KSCZTXOKIYOZDX-GOSISDBHSA-N 429.490 4.932 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C(CC)CC)N(C)C 1760165339 PAJKNWYWMCFBPP-RUZDIDTESA-N 446.643 4.788 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1sccc1C 1760197274 ZJBHCWRXOAWFON-UHFFFAOYSA-N 439.588 4.844 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)(COC)CC1 1760317686 JCNOFSZNEIKPAO-GOTSBHOMSA-N 438.616 4.742 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)c2nc(C)cs2)CC1 1760385140 NSEFZIICCDDMJE-MRXNPFEDSA-N 439.585 4.687 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)OCC)CC1 1760406048 QDLGHYPSLSQOFJ-UHFFFAOYSA-N 430.618 4.797 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760422868 SQCDOZRLMHKRDA-MOPGFXCFSA-N 438.551 4.641 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC=C(Br)C1 1760442768 IDRSQKBWJPLOLV-UHFFFAOYSA-N 431.378 4.527 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCCC2)CC1 1760443892 PXIGYXNOVCLIPP-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1oc(CCC)nc1C 1760488475 WMEWVYDWIRHMNT-GOSISDBHSA-N 427.574 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1Cc1nnc(C(C)(C)C)s1 1760488479 WTMJFHWYCQDUTK-UHFFFAOYSA-N 428.631 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CSCCS1 1760489017 MKSKMPUYKBUXOE-FQEVSTJZSA-N 426.655 4.775 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCSC(F)(F)F)C1 1760538124 WDATZSCPNSXDPO-HNNXBMFYSA-N 432.899 4.633 30 10 IJEE CSc1cc(Cn2c(CC(C)C)nnc2N(Cc2ccc(C#N)cc2)C2CC2)ccn1 1771423256 AAIJLBHMXIRVSG-UHFFFAOYSA-N 432.597 4.682 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2oc(C)nc2C#N)cc1Cl 1772721745 LQBJGEMCBHHKSA-UHFFFAOYSA-N 432.871 4.815 30 10 IJEE COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(OC(C)C)cc3)nc2cc1OC 1858204747 OEJNGGRVELQNBL-UHFFFAOYSA-N 437.521 4.642 30 10 IJEE COc1ccc(NC(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1Cl 1858913124 RICBUILUQSPXIW-UHFFFAOYSA-N 435.867 4.761 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)COc1ccc(Cl)c(C)c1 1861643439 YIFGODFHYBYVAH-HXUWFJFHSA-N 443.053 4.742 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1862236392 XWAYQXKPIIFVPM-QSRNJPNHSA-N 432.564 4.764 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862381801 BDKKGSIVIUVWQY-SFHVURJKSA-N 446.286 4.521 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862391906 LDFSJMOMIYRDQQ-HSZRJFAPSA-N 447.487 4.812 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(O)c2)c1 1862507705 RISIBVNOOWYQOK-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC)cc1OCC 1862513400 UWUGZJDLPRZASE-JOCHJYFZSA-N 441.499 4.920 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862556511 YHNGSHALPZMXSP-QHCPKHFHSA-N 430.479 4.749 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862599156 CVWCFIOJNHEOIH-IBGZPJMESA-N 444.871 4.578 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1F 1862662439 KAXXRLWLRUQWIP-QFIPXVFZSA-N 425.500 4.954 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862679722 LBNNELBYGDSLQL-HSZRJFAPSA-N 436.527 4.977 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2Br)=C(c2ccc(C)c(C)c2)C1=O 1863261203 ZDOSTRLWNSXMQB-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE C=CCN1C(=O)C(NCCOc2cc(C)cc(C)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633312 PIOAMXLIGHKGSF-UHFFFAOYSA-N 445.346 4.545 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccccc2)cc1 1867762799 MJTQWCXSSYBOBR-IZZNHLLZSA-N 448.526 4.638 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2ccc(OC)cc2)n1 1870001836 WNLKVLMCNPLNDL-UHFFFAOYSA-N 447.583 4.609 30 10 IJEE C[C@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCc2ccccc2)C1 1870348998 VSNMBODSYXQGTG-QFIPXVFZSA-N 441.575 4.774 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOC(C)C)cn1Cc1ccc(Cl)cc1 1870552658 MTZYYAFRSMFDSZ-UHFFFAOYSA-N 430.976 4.528 30 10 IJEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1871010836 GSGRLBKDWAYWKC-UHFFFAOYSA-N 448.567 4.821 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc(F)cc1 1871185637 ROXUJHUHUIXAAO-UHFFFAOYSA-N 449.526 4.728 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3nc5ccccc5[nH]3)CO4)C2=O)cc1 1871349390 RGMQEQYRCSXDKP-FMCGGJTJSA-N 439.471 4.540 30 10 IJEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)c(OC)c(OC)c2)C3=O)C1 1871353726 YOSYVJGJPIBZBK-HFTHVURISA-N 439.508 4.587 30 10 IJEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCC(CO)CC1 1871396868 ACFZZFRNXDBVRZ-JMIUGGIZSA-N 434.319 4.520 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 1871805078 XXZJHQUNKJLSKJ-CYBMUJFWSA-N 446.878 4.563 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871845719 IAPGPMJJASCXHV-QFIPXVFZSA-N 430.570 4.670 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(C)c(C)c1 1872471581 WJPZDDIYJRJURX-QHCPKHFHSA-N 428.598 4.850 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)c1ccccc1 1872477717 FPMWQNSGRLCLEG-XMMPIXPASA-N 434.561 4.806 30 10 IJEE COc1cc(Cl)c(C)cc1-c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 1872786256 GENNRGOWLOGPCV-DZGCQCFKSA-N 445.972 4.604 30 10 IJEE Cc1sc(C2=C(N)N(c3cccc(C(F)(F)F)c3)CC2=O)nc1-c1ccc(F)cc1 1872796361 WTJHRIROAYMEFF-UHFFFAOYSA-N 433.430 4.993 30 10 IJEE N#Cc1ccccc1NC1=C(c2c(Cl)cccc2Cl)C(=O)N(Cc2cccnc2)C1=O 1873285916 WZQCPADYZJJZPB-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccc(OCCC)c1 1874425249 YECCJMCEFFSSEY-HYARGMPZSA-N 444.582 4.723 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCC)nnc1SCC(=O)Nc1cccc(C)c1 1874504197 KTLXVCCBAMBRQI-PCLIKHOPSA-N 449.580 4.717 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(OCC)c(OC)c1 1874507636 NBOBXRIKAGLVDA-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2/N=C/c2c(F)cccc2Cl)o1 1874525570 UKBSXMGYFZPNEJ-LSHDLFTRSA-N 436.896 4.577 30 10 IJEE COc1cc(Cl)cc(/C=C/C(=O)c2ccc(F)cc2)c1OCC(=O)NCc1ccco1 1874583907 MFMIKVKNWCNOBE-RMKNXTFCSA-N 443.858 4.672 30 10 IJEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OC 1874636423 ZTLQYCAPSRHTDA-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)C3CCC3)c(OC)c2)cc1OC 1875098477 BUABPFIQSOLCSB-VQHVLOKHSA-N 430.884 4.967 30 10 IJEE O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1891852908 SOHUNHXOOFJXLT-SNVBAGLBSA-N 436.327 4.588 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 1922057892 QRQPGPLQTUBHEI-NTPMPWFXSA-N 446.632 4.524 30 10 IJEE C=C([C@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 1976564176 GRSOAYMKVBWWBW-XUZZJYLKSA-N 432.681 4.852 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2047975476 DWSPVIASOPOWED-HOTGVXAUSA-N 429.786 4.540 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(C)c2)C2(C)CC2)c(I)c1/C=N/O 2079090616 OXUMMOCLBJXTAF-LASGFXPTSA-N 437.325 4.865 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(Cc2c(F)cccc2C(F)(F)F)c1Br 2080182442 UHHZATUMSCHQMA-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE N#Cc1ccc(N(C(=O)c2ccccc2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 2087920233 HALVMGZKNZLIKF-VWLOTQADSA-N 438.531 4.790 30 10 IJEE CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(C#N)c(Br)c1F 2118192687 ROOPIYCQMHKLOY-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2118192710 RTJQBLAHNSTSCV-KGLIPLIRSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)C[C@H]1c1ccccc1 2129043833 OLVDYRNZOIWKAA-RTWAWAEBSA-N 444.425 4.709 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 2159125424 NGQOMXSESYAZRD-VQTJNVASSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181097369 AYHQMWZRLBUUNB-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2215767146 QQYDUNYMBJPNSF-NRFANRHFSA-N 434.541 4.607 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](O)(C#Cc2ccccc2Br)C[C@@H]1C1CCC1 2235744134 OIXBURDWWGADEC-DENIHFKCSA-N 434.374 4.731 30 10 IJEE C#CC(C)(C)C[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427313 XGLKVDHHAXZEMZ-OALUTQOASA-N 437.422 4.913 30 10 IJEE CCN[C@H](C#CC1CCCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2260993787 ZZVQGVXZUAAIRV-SHQCIBLASA-N 439.644 4.718 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC[C@@]4(CCN(Cc5ccccc5)C4)C3)CCC2)OC1(C)C 2267460557 KBUHTMHADYMWEU-VWLOTQADSA-N 438.421 4.518 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2296215788 DNASFYFLVJENAX-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1C(=O)C#Cc1cccc(Br)c1 2296221287 HMPKHIHTIWEUSQ-LJQANCHMSA-N 432.358 4.940 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 2296300016 BTNREAVNVPKSEM-VQTJNVASSA-N 435.406 4.862 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2306522203 KAIDLQCINXETNM-VWEIPLKFSA-N 428.573 4.601 30 10 IJEE CCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O 2321839318 LEEUSLHPVFBNGA-CYBMUJFWSA-N 431.282 4.704 30 10 IJEE O=C1C(=Cc2cccs2)Oc2c1ccc1c2CN(C[C@@H](O)c2ccc(Cl)cc2)CO1 2322233761 KAAJIVXYSFFORY-LJQANCHMSA-N 439.920 4.903 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN(CCc1ccccc1)CO2 2322286914 IOHYQUZFBBEKQM-UHFFFAOYSA-N 442.471 4.914 30 10 IJEE Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2322833082 GGRMPOXINQVVRZ-UHFFFAOYSA-N 434.275 4.749 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2323937450 QXNMSKMOPVVFEN-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE CN(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1 2324111149 LZBBCVFHGWCJJJ-UHFFFAOYSA-N 426.516 4.633 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)c1 2325574779 UZSJCQGEYMLQHE-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccccc1OC 2326660985 MPXRRPRBFSENAM-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCOc1ccccc1C=Nn1c(COc2ccccc2OCC)nnc1SC 2326796547 FGWFYLXBBTXABI-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CC(C)c1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SCCCO)cc1 2327687922 NNLYROAICSKFAC-UHFFFAOYSA-N 444.988 4.991 30 10 IJEE COc1ccccc1CCc1nnc(SC)n1N=Cc1c(OC)ccc2ccccc12 2328662974 IJBRCUKFFKWTNZ-UHFFFAOYSA-N 432.549 4.838 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330841016 WSXZEYDBWTWVTM-UHFFFAOYSA-N 425.514 4.655 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)cc2)c1 2331381135 MVNVQROXHLGOET-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COC(=O)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1 2331443375 HNLSVILIUXJFIC-UHFFFAOYSA-N 426.517 4.577 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cc(Cl)ccc2O)cc1 2331685155 NMAQJRITZUHOTI-UHFFFAOYSA-N 443.960 4.682 30 10 IJEE COCC(=O)Oc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1Br 2331876949 PHCYLQACCPVOIM-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE C[C@H](Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)c1cc(Br)cs1 2345740533 FPHDVPMBHAAKOB-JTQLQIEISA-N 427.148 4.517 30 10 IJEE C=CCC1([C@@H](N)c2cc(Br)cc(OC3CC3)c2)CN(C(=O)OC(C)(C)C)C1 2362714685 OOIGRWKNFFOZCZ-SFHVURJKSA-N 437.378 4.803 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1c(Br)cnn1C(C)C)C(=O)OC(C)(C)C 2363133792 VBMWFZNPTQFINY-QGZVFWFLSA-N 441.414 4.528 30 10 IJEE CCCN[C@H](C#Cc1nc(CC)cs1)CCCCCNC(=O)OCc1ccccc1 2363929874 UDTDOSXPDSUWTI-QFIPXVFZSA-N 427.614 4.912 30 10 IJEE Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3cccc(Cl)c3)CC1=O)N2 17095132 CMMRZYIEGPYWHZ-LRTDBIEQSA-N 426.854 4.934 30 10 IJEE CCn1c([C@@H](C#N)c2cnn(Cc3ccc(Cl)cc3)c(=O)c2Cl)nc2ccccc21 27643921 NSSUILDJKBIQLU-INIZCTEOSA-N 438.318 4.623 30 10 IJEE Cc1c(C(=O)[C@H](C)Oc2ccccc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38623156 KCKAQPSWGKVRRD-CVEARBPZSA-N 436.895 4.647 30 10 IJEE Cc1c(C(=O)c2cccc3ccccc23)c(O)n(Cc2ccccc2Cl)c(=O)c1C#N 38626140 QLEXJXRGTVHNEC-UHFFFAOYSA-N 428.875 4.820 30 10 IJEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 41661222 KZGXPEAUROWPNR-MSXFZWOLSA-N 445.446 4.565 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(C#N)cc1 95087387 BYZOYTVXJLBKMO-OAQYLSRUSA-N 445.567 4.840 30 10 IJEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 103229133 DSWLGRSFPCNQID-VFJWVMJUSA-N 446.890 4.926 30 10 IJEE N#C[C@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(F)cc1F 111029640 GQIZFNNKDHRLOZ-SFHVURJKSA-N 444.235 4.909 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2cccs2)cc1 169921172 NZIHIRBWNAGUJB-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2C)cc1 169926713 BOYNDFFWQKWRQI-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c1 169964986 UTPAIOWZSZNSAU-XMMPIXPASA-N 443.499 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)cc1C 170063676 IEMXCOMFJUDJAD-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@H]2c2ccco2)ccc1F 170099240 AVAJIOUTGVBYTP-IBGZPJMESA-N 435.386 4.525 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccc(OC)c2)cc1C 170121554 RPNUXGRNFYHJJM-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(O)cc2)c1 170132157 JPGRDKJJSISHLU-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)c1 170154172 DPHGECYIFUTMKX-IBGZPJMESA-N 425.531 4.987 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)c1 170160503 IBDKIZVDBOXJIJ-PEBXRYMYSA-N 447.512 4.868 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccs1 170165974 MOFYKMHOVUIOSK-JOCHJYFZSA-N 434.561 4.821 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 170214837 SALLFSOGPKECRF-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccccc3)ccc2O1 170223566 QENPAOTVAXMIDZ-NPMXOYFQSA-N 429.447 4.932 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)c1 170248507 HUHIVPHFFXEULP-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170266306 SOARVYLHDMOIOT-OAQYLSRUSA-N 432.432 4.529 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccccc1C 170273192 NRHYVONKYWWSQI-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccco2)cc1 170279435 MNMBVXOIWMWDGJ-HSZRJFAPSA-N 446.503 4.916 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)cc1 170290868 YVWOUCBOHUDBBR-FQEVSTJZSA-N 425.387 4.739 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(C)o2)c1 170302163 NOZHLXYQANZNJS-JOCHJYFZSA-N 431.444 4.716 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170452104 MTNPSMOIEKSSFL-HSZRJFAPSA-N 435.568 4.724 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C\c2cccc(O)c2)C1=O 206879026 AVOTWTXOXHMUNI-YBEGLDIGSA-N 435.423 4.955 30 10 IJEE CC(=Nc1cc(C)ccc1O)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 254736892 STRRJRLVUXOZIA-UHFFFAOYSA-N 432.427 4.949 30 10 IJEE CC(C)(C)[C@@H]1CSC(=Nc2cc(I)ccc2Br)N1 393997385 WKDAYXUWNSPFFV-NSHDSACASA-N 439.160 4.792 30 10 IJEE C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460779240 PCDPVSLQANGXQJ-VWLOTQADSA-N 440.547 4.882 30 10 IJEE C=CCN(C(=O)CC(C)(C)C(F)(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 483130742 XRXFQAFBTZWHSZ-UHFFFAOYSA-N 446.516 4.711 30 10 IJEE C=CCN(C(=O)c1coc(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 498288629 PRVGRIFBAFTJFM-UHFFFAOYSA-N 434.271 4.907 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 502499713 HDLRCTSJRCPYPX-OETBTIHESA-N 430.548 4.662 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 549242657 XEBXMBXYPSEMMB-UHFFFAOYSA-N 433.512 4.740 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c1 552586240 DIOTUQWLGMSHQO-INIZCTEOSA-N 434.883 4.894 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 558993282 KKZLHNWAOBFIDV-SIKLNZKXSA-N 447.583 4.642 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 573461516 ACAPQPAWOIOFER-INIZCTEOSA-N 428.993 4.514 30 10 IJEE N#Cc1ccc(CNC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)c(F)c1 609254537 RKPAIACCYZVKJE-UHFFFAOYSA-N 449.357 4.812 30 10 IJEE C[C@@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 610222998 DDVMUFLPIGAKKK-GFCCVEGCSA-N 435.578 4.502 30 10 IJEE Cn1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c(Br)n1 712417394 FIZLEZJHMOZYNR-AWEZNQCLSA-N 425.714 4.842 30 10 IJEE CC[C@@](C#N)(C1CN(C(=O)OC(C)(C)C)C1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 716138954 VIPHLSGOYBBTTH-XMMPIXPASA-N 445.560 4.976 30 10 IJEE N#C[C@H]1CN(C(=O)[C@H](Sc2ccc(F)c(Cl)c2)c2ccccc2)CCN1C1CC1 732648948 YCGMYJHEOHQDJS-LAUBAEHRSA-N 429.948 4.511 30 10 IJEE CC1(C)C/C(=C/c2ccc(-n3cncn3)cc2)C(=O)/C(=C\c2ccc(-n3cncn3)cc2)C1 736434888 YQYQBRHFGZIZSW-IINORCHSSA-N 436.519 4.704 30 10 IJEE N#C[C@H](C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 744016348 LKJJAODOBLTQRX-AEGPPILISA-N 425.460 4.534 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2CCC(c3nc4cccc(C)c4o3)CC2)c1=S 780503431 JFXJVFTZMIMSEK-UHFFFAOYSA-N 446.580 4.949 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C 805786144 NHIFEQPECYVKIQ-DEOSSOPVSA-N 447.627 4.578 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC[C@@H](C)F)C2=O)cc1 814704667 XYQKDYOMVRQRJF-QRWLVFNGSA-N 441.528 4.598 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccsc3)N(CC[C@@H](C)F)C2=O)cc1 814711552 NFRQCASOIXDRQT-FZKQIMNGSA-N 447.557 4.659 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@H]1C 916564548 ARAUSMXSUHUASL-UKRRQHHQSA-N 448.972 4.842 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 1084473781 UEHHKVVDZRRKPV-JMZVFVPQSA-N 426.933 4.690 30 10 IJEE O=C1C(=NNc2c(F)c(F)c(F)c(F)c2F)c2ccccc2N1Cc1ccccc1F 1084641150 BKDRJXLQWRPCGZ-UHFFFAOYSA-N 435.327 4.884 30 10 IJEE COc1ccc(C(=NN(C)C)[C@H](c2ccc(OC)cc2)[C@@H]2OC(=O)c3ccccc32)cc1 1088659293 MZHQVBWZGDKTKN-UKILVPOCSA-N 430.504 4.665 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1 1125648722 AXTDFYFGZYYTRG-HXUWFJFHSA-N 425.532 4.836 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Br)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1125726637 QWUAODIQBLVRAN-LJQANCHMSA-N 441.753 4.834 30 10 IJEE C#CCN1CCC(C(=O)Nc2nc3cc(Cl)ccc3n2CCCc2ccccc2)CC1 1125785105 VTDWQLQHSPUWFX-UHFFFAOYSA-N 434.971 4.606 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccccc2)cc1Br)c1ccc(Cl)cc1F 1129738813 LNFZNVGTFCHUJJ-KRWDZBQOSA-N 432.680 4.532 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(C(C)=O)ccc2Br)cc1OC 1132632301 SGHWLCCPZIRLCU-POHAHGRESA-N 430.298 4.877 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 1137092887 KRGSJILLVNXCGA-UHFFFAOYSA-N 432.536 4.984 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1O[C@H](C)CC(C)C 1137539337 YFXOWCXMKUBBTN-TZIWHRDSSA-N 430.589 4.731 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1ccc(OC)cc1 1167115893 KUBHUADUVCMNCT-SANMLTNESA-N 432.589 4.919 30 10 IJEE C#CCN1CCC(Nc2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)CC1 1187662493 DFHAUHHUWLQQFH-UHFFFAOYSA-N 430.243 4.665 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@H](C)C3 1188455665 SYUZDXJFSJIEOH-LIRRHRJNSA-N 442.606 4.610 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1)[C@@H]1CCCc2ccccc21 1229370254 IUAQCIDIOYWPSV-LAUBAEHRSA-N 430.508 4.529 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1)c1ccccc1 1265244356 YIDUKVMOXPTUCP-NRFANRHFSA-N 442.581 4.558 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCc1cccc(C)n1 1286451207 VBJIDMYJVOGSSS-UHFFFAOYSA-N 445.611 4.950 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCC1(F)F 1286469305 HIYRTHRYTDVBCR-IBGZPJMESA-N 448.583 4.790 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CCc1ccc(OC)c(Br)c1 1286516655 JQZNOYXPNSTUMP-JOCHJYFZSA-N 445.405 4.582 30 10 IJEE C=CCCCn1c(N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)nnc1C(C)(C)C 1286707253 ZLMTUMYEPIZEQF-GOSISDBHSA-N 427.593 4.640 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1OCC(F)F)C1CC1 1286734827 WYPJFFVAZQSFPZ-UHFFFAOYSA-N 445.901 4.841 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1CC1CCC(F)(F)CC1 1286762367 GKNLJHHZOMZJLT-NRFANRHFSA-N 430.543 4.843 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCCCS2)C1 1286801551 ZQWULTQYELFODQ-BHIFYINESA-N 426.630 4.887 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286826156 YHCQEMJTTOCZRJ-LJQANCHMSA-N 428.993 4.593 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1286831377 DAOGXWVIGAZHSE-UHFFFAOYSA-N 435.037 4.835 30 10 IJEE Cc1cc(OCc2ccccc2)c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)s1 1290464582 CYOGUCPNHRQIDL-UHFFFAOYSA-N 435.524 4.609 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)cs1 1299519987 GTWWAPSKINQLND-KRWDZBQOSA-N 436.585 4.799 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1300339664 QSAITEAIWKACHA-FGZHOGPDSA-N 433.600 4.967 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCOC[C@@H]1C 1300603904 YQRMSWNQONFOBS-PXNSSMCTSA-N 435.597 4.509 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1301186805 JREOXAAPTWEXTD-STZQEDGTSA-N 428.552 4.982 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)s1 1301226325 UCAHJULZZHZFBD-UHFFFAOYSA-N 432.391 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1CC2(CCOCC2)C1 1301374788 FGKYDININBTOBG-UHFFFAOYSA-N 444.526 4.932 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCS[C@@H](C)[C@H]1C 1301621112 QZDSTZJEGRSWMB-MSOLQXFVSA-N 432.659 4.669 30 10 IJEE C=CCn1c(SCC(=O)c2ccncc2Cl)nc2sc3c(c2c1=O)CCCCC3 1307239942 CAUFMMVNKNEZON-UHFFFAOYSA-N 445.997 4.936 30 10 IJEE C#C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)C1 1311453027 ZKXYUWTZRXZANL-XMSQKQJNSA-N 439.650 4.624 30 10 IJEE C=CCCCN(CC)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1312993365 KVNNIBLCFLRXLL-NHCUHLMSSA-N 433.568 4.916 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)CCCN1C(=O)OC(C)(C)C 1357140395 JWFUMWHPVABFIN-VWLOTQADSA-N 443.588 4.665 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](c1cccnc1)C(C)C 1358896315 AWUVGGWYVPDWAS-URXFXBBRSA-N 431.584 4.767 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1(C)CCCC1 1359013088 KJDZKSZWQJQFME-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCCN2CCC)CC1 1359168559 ZQWYHXXAJHOTTH-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(F)c2)CC1 1359174629 JJJWGMNFIKSXBD-UHFFFAOYSA-N 430.325 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)N(CC)CC)CC1 1359175004 WOIGFESRGODULY-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359183286 HVCRIVYZUBVNOT-UFYCRDLUSA-N 441.595 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359189562 OFVMLCCDVQVXCU-UHFFFAOYSA-N 429.653 4.698 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(CCC)C(=O)C1 1359198619 VYHCGDZPQOKOTQ-UHFFFAOYSA-N 446.599 4.607 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359200766 QEFRMCGHJIOZJC-HXUWFJFHSA-N 437.567 4.565 30 10 IJEE C=CCCCCn1c(N2CCC(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359206934 UGYRMKCHQVXJHS-NRFANRHFSA-N 444.542 4.844 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1359252375 PLGKXNNMAFCEIF-UHFFFAOYSA-N 431.437 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCCN1CCC 1359269130 PUOZSJRKDDSWKD-JOCHJYFZSA-N 430.600 4.936 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC(CN(C)C(C)C)CC2)cc1 1359306687 NQNMMSZRPYJHPQ-UHFFFAOYSA-N 425.621 4.571 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1 1359926020 ZRBNVNFYQUOQAR-UHFFFAOYSA-N 431.513 4.957 30 10 IJEE CCOc1cnc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cn1 1361005878 DGCZICZJCPKVNY-UHFFFAOYSA-N 428.370 4.810 30 10 IJEE C#CCN(C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)[C@@H]1CCCc2ccccc21 1439621564 DMNFWNLHNWNMKT-HXUWFJFHSA-N 430.426 4.950 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)cc1OC(F)F 1447273771 ZVSQFSBPKSQVNK-CJNGLKHVSA-N 430.467 4.854 30 10 IJEE C=CCc1cc(C(=O)NCC(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC 1455162684 GTKYGAOZCPBEOD-UHFFFAOYSA-N 429.925 4.913 30 10 IJEE C#CC[C@]1(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1457992927 FSXGPIVOMVLAIE-HXUWFJFHSA-N 427.328 4.504 30 10 IJEE Cc1cc(C2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)ccc1Br 1459985263 DOPCSVRQYSAFRK-INIZCTEOSA-N 426.358 4.836 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN[C@@H](CO)c3ccc(F)cc3)c2C#N)C1 1460141182 HXRNNDDFPGGMMI-JXFKEZNVSA-N 443.588 4.562 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](c2cnn(C)c2)C(F)(F)F)cc1OCC 1461495303 WSMIFGQHSZKTBO-QGZVFWFLSA-N 448.283 4.539 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)[C@H]2CCc3ccccc3C2)c1 1462722803 LHVVFQMFNDENLW-QHCPKHFHSA-N 448.540 4.749 30 10 IJEE C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1465222940 ATTKZFKFCLQJOI-JKSUJKDBSA-N 439.516 4.559 30 10 IJEE C#C[C@H](NC(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(Cl)cc1F 1470667379 QPEAMDWXWQADSV-OALUTQOASA-N 439.959 4.734 30 10 IJEE C#CCN(C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCCc2ccccc21 1472070971 OVBSKEXZUNYEKP-XMMPIXPASA-N 445.563 4.528 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1 1475931390 VYJWKRCTAAUWIL-INIZCTEOSA-N 427.220 4.886 30 10 IJEE Cc1cc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)c(C#N)cc1N(C)C 1476702877 GSIRLYVSGUZCGV-UHFFFAOYSA-N 435.503 4.823 30 10 IJEE C=CCCC(C)(C)NC(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1479508858 RRUPRGLLNNEQPH-CLOONOSVSA-N 443.588 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)c(F)c1 1507521225 LBIZAVXOMZNGEC-CABCVRRESA-N 426.536 4.916 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC(F)(F)C1 1507523393 NUWILASJQMCHNT-HUUCEWRRSA-N 437.332 4.909 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)CC 1507564119 MYVOQSRVAQFKTK-LJQANCHMSA-N 431.625 4.678 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507604549 KXDQHLIYSVTOHR-LEWJYISDSA-N 449.624 4.898 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C(F)(F)C12CCC2 1507642127 GXHQAXXZHWAIOU-CTNGQTDRSA-N 438.522 4.543 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OC)c1ccccc1 1507680735 LPEYQQYSBUNEKE-RXVVDRJESA-N 434.609 4.979 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC1(C)C 1507809119 SPBSCXRCGKHKPJ-UTKZUKDTSA-N 430.980 4.871 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(c2ccccn2)CC1 1507833946 QNBINROBXAQDDS-UHFFFAOYSA-N 446.599 4.587 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCOc1ccccc1 1507939637 PSXHQWQFHSCXSU-UHFFFAOYSA-N 444.377 4.528 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1507959360 PAENLXPASFZFNQ-UHFFFAOYSA-N 427.961 4.761 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CCc1nccnc1C 1508009652 VNUAKXTXVIAKAH-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@](C)(CC)O1 1508014580 BGPVFDSEBJIXDD-UTKZUKDTSA-N 448.409 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1N(C)CCCC1(C)C 1508014644 CGHOJTIVVIHGMP-HSZRJFAPSA-N 445.615 4.634 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCC(C)(C)C1 1508018104 MVLKIUJIQXAENT-UHFFFAOYSA-N 446.599 4.901 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2c(CC)noc2C)C1 1508119021 ZDUMZFXLIFITSM-LEWJYISDSA-N 435.572 4.508 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)ccc1F 1508164311 IJHFEIFQGNXPNS-UHFFFAOYSA-N 431.606 4.637 30 10 IJEE Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c(F)c2)cc1C 1521475712 HQSFBHBAQWLVND-XMMPIXPASA-N 427.523 4.960 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1 1525410556 NJSZUMCDCUBSAU-UHFFFAOYSA-N 428.311 4.622 30 10 IJEE C=CCc1cc(C(=O)N(CC)[C@H](C(=O)OCC)c2ccc(Cl)cc2)cc(OC)c1OC 1525560888 CTEMHNLJPBBNLX-NRFANRHFSA-N 445.943 4.852 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)cc(I)c2)CCCC1 1532276662 NKYDSUJDENEISU-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cc1 1536399350 SVQVENLBKGEZQV-IBGZPJMESA-N 445.416 4.828 30 10 IJEE C#CCN(C(=O)c1cccc(F)c1I)[C@H]1CCCc2ccccc21 1538323656 HJPKVCWTCZCUBT-SFHVURJKSA-N 433.264 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC=CO1 1538970566 CKMJSBMQCZLTCJ-CMKODMSKSA-N 428.964 4.839 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(c2nccs2)CC1 1539077433 BNFGHLUKEICHSN-UHFFFAOYSA-N 449.624 4.716 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC)[C@H](C)C1 1539095276 BFWSBZJGFMIUNZ-MRXNPFEDSA-N 428.005 4.757 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)CN1CCCC1 1539154316 OIFSWAUXIIBIIM-MRXNPFEDSA-N 428.005 4.615 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cccnc1OCC 1539160939 GDNPOHKBWHKSRA-UHFFFAOYSA-N 447.539 4.724 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)[C@H](C)CC 1539161390 LJKKQRLMHWVEEZ-WAIKUNEKSA-N 426.561 4.679 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccccc1 1539186228 NDNHKETWDZFTKZ-JRPXNJEYSA-N 428.554 4.567 30 10 IJEE C=C[C@H](COC)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1539367439 RFOCVMNKJSVYAT-OAQYLSRUSA-N 427.504 4.632 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1csc([C@H](C)OC)n1 1539385395 ZHKYKPFNCOZWCG-INIZCTEOSA-N 441.576 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CCCCC1 1539659071 HZECETBOOPGFDO-UHFFFAOYSA-N 442.604 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OCC)CCCC1 1539670141 XSIWVORKQRZRNH-NRFANRHFSA-N 426.561 4.542 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccc(OC)cc1OC 1539690671 BVSRWIATYOWZHP-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1539836880 ZAFMTGARNNIEQH-UHFFFAOYSA-N 439.947 4.994 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 1539882758 WLQMUJXTLLQWQJ-XLIONFOSSA-N 430.980 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)c1ccco1 1539906860 VAFPSTHVLSFGOG-QGZVFWFLSA-N 442.585 4.741 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1540013108 KWPWPWJTIBIBLI-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)CC1CC(F)C1 1540881473 KAZIAMSMMGTEFZ-UHFFFAOYSA-N 426.561 4.728 30 10 IJEE Cc1ccsc1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C#N)CC1 1542067249 CSCZVPMBQRLVAN-UHFFFAOYSA-N 443.523 4.899 30 10 IJEE C#CCN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1543686408 ZHOFGAQGRRZBAD-WIYYLYMNSA-N 437.337 4.507 30 10 IJEE CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1545995665 WOJLCYJZCZIZQQ-SFHVURJKSA-N 444.583 4.595 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 1556730369 MNONJLFSCGZSSV-CRICUBBOSA-N 442.490 4.543 30 10 IJEE C#CCC1(NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CCCCC1 1561958466 MBIJDJLKUOQMQK-UHFFFAOYSA-N 439.400 4.577 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2cc(C)nn2-c2cc(C(F)(F)F)ccc2Cl)CC1 1562566390 JQDPTPOOAHKEPS-UHFFFAOYSA-N 442.869 4.788 30 10 IJEE CSc1ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1Br 1563082551 BKOVZZCCEAIDRU-QGZVFWFLSA-N 432.343 4.648 30 10 IJEE C#CCN(C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCCc2ccccc21 1563684439 FQMBUECUGKTGMJ-RUZDIDTESA-N 437.534 4.652 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1564195988 OKFXNJSGRCBAOE-JTHBVZDNSA-N 426.582 4.628 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C)c1ccccc1 1565277644 UUWUNQBNOPYSSV-YKSBVNFPSA-N 435.568 4.791 30 10 IJEE C=CCC1(C(=O)N2CCC[C@H]([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCCC1 1583738778 HKVRBQHEGFCISD-PCCBWWKXSA-N 434.621 4.824 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CCCC1(C)C 1586321064 XVCSRSNBFPKBIQ-XQBPLPMBSA-N 432.630 4.560 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(OCC(C)C)cc2)nnc1-c1ccco1 1586806887 QPGPPRXLITYKJZ-UHFFFAOYSA-N 427.526 4.847 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)cc1 1587525890 BGUPYEDSBJIXTC-UHFFFAOYSA-N 443.478 4.655 30 10 IJEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1cscc1C(F)(F)F 1587957746 ISEGUYYLZRZDHX-UHFFFAOYSA-N 427.455 4.691 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(C)CCCO1 1588186094 RSLHNAWPUQLUCU-QHCPKHFHSA-N 438.984 4.845 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC1CCCCC1 1588289026 UWTCWUWAMWZJRM-UHFFFAOYSA-N 430.980 4.806 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC1(N(C)C)CCCCC1 1588471999 BKYNKGSWKLXIFP-FQEVSTJZSA-N 425.596 4.835 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1593650221 PNMXTVUHJGMJBH-OAQYLSRUSA-N 425.596 4.677 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1593840081 ASVYYESZSNKAMQ-NQIIRXRSSA-N 444.023 4.781 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1594076875 CVDTWCDCENXGLG-UHFFFAOYSA-N 442.608 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1594473477 SNQLLLKNMCEASP-OALUTQOASA-N 442.604 4.958 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1594545203 RMSGUOKPMYRVRO-HSZRJFAPSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2sccc2[C@@H]1CC 1594661563 VGRYNKHXSQXCJH-CUWPLCDZSA-N 430.618 4.934 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CC(=O)NC1CCCCC1 1595149782 VHXMXUYRGYIXIT-UHFFFAOYSA-N 435.597 4.648 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(Br)cc1 1596978118 LIKVARHSUBAMOH-QGZVFWFLSA-N 448.242 4.758 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CCS1 1603079192 HSKCDBBBHGOFLE-PKOBYXMFSA-N 431.556 4.830 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C 1611015933 CTLFHAXNEBXHPK-ROUUACIJSA-N 426.479 4.825 30 10 IJEE C[C@@H]1C[C@H](CCn2c(N3CCC(C#N)CC3)nnc2C(C)(C)C)CN1Cc1ccccc1 1612678991 AGJIHVWMXWZZQH-OFNKIYASSA-N 434.632 4.616 30 10 IJEE CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](F)(C#N)C1)SC 1613499663 ASSQDTYEQLIOMA-JOCHJYFZSA-N 445.608 4.838 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CCc1ccc(Cl)s1 1613812302 GGPLHTZVVQFNDB-INIZCTEOSA-N 444.004 4.973 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1615366750 GDPONPQDKLQIPY-GCJKJVERSA-N 447.612 4.557 30 10 IJEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)C1 1619682318 FEGQMZLQHJUMFD-CTNGQTDRSA-N 443.542 4.895 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 1624971344 HEKOFHOTLJXSQM-SFHVURJKSA-N 431.895 4.786 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(CCCN(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 1625029898 HPJVTISFGLKIRV-RUZDIDTESA-N 435.653 4.693 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 1633467374 UGDBBQWRHGIFJJ-JXFKEZNVSA-N 433.474 4.717 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1635801858 HOWMARVJXTVVHC-FQEVSTJZSA-N 425.529 4.965 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=[S@](=O)(CC)c1cccc(Cl)c1 1637323701 YHWUPVZMRPRXPT-RXAIFQJESA-N 435.373 4.749 30 10 IJEE C=CC1(CC(=O)N2CCc3ccccc3[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1637628795 XSTJXACBCDVJOX-XMMPIXPASA-N 432.564 4.974 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OC 1638400892 BHHDTSSXBGBTBD-CYBMUJFWSA-N 429.332 4.604 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1638664710 ZMZIJFATTQHLBF-JOCHJYFZSA-N 442.531 4.971 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CSc1cc(C)c(Br)cc1C 1640459863 GSATZJJMALTQRL-UHFFFAOYSA-N 438.387 4.848 30 10 IJEE C=CCn1c(SCc2nc3ccc(C(=O)OC)cc3[nH]2)nnc1-c1ccc(Cl)cc1 1640638471 WYYLLUVFUZZZMY-UHFFFAOYSA-N 439.928 4.740 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cccc(OCc2ccccc2Br)c1)C(=O)OCC 1644563877 VLSAVTFUMBMARR-HXUWFJFHSA-N 446.341 4.656 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)c(F)c(C)c2)nc2sc3c(c2c1=O)CCC3 1651629541 TTXGITNACBURJP-UHFFFAOYSA-N 428.554 4.864 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)[C@@H](C#N)c1ccccc1 1652469321 KMXKCHSNILUNHM-IBGZPJMESA-N 438.940 4.665 30 10 IJEE C=CC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1657951342 JCLWXRIPXNRIIS-GOSISDBHSA-N 443.569 4.740 30 10 IJEE C=CCCCCCCCCNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1663819820 VFYIPHICEZMXMW-UHFFFAOYSA-N 443.407 4.817 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3Cc4ccccc4[C@@H](C(=O)OC(C)(C)C)C3)cc2n1 1664853528 ICYFDEBVDGBJPG-NRFANRHFSA-N 432.524 4.695 30 10 IJEE C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1665478338 XBEQCGLWMCMHAR-MAUKXSAKSA-N 432.351 4.843 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)[C@@H](CC)C2)cc1 1666389671 LFZKWHBSIOIQGH-VWLOTQADSA-N 446.595 4.629 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)c1 1668010773 OMLCPRWELNTTAL-JOCHJYFZSA-N 447.000 4.856 30 10 IJEE Cc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1Br 1669353767 FHFMXKUJDXJLSL-UHFFFAOYSA-N 428.208 4.850 30 10 IJEE CC(C)(NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccc(C(F)(F)F)cc1 1671176981 BECVPBIAOXDDBA-UHFFFAOYSA-N 436.377 4.809 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 1672210579 YEFMLCXBSZLZOB-ZDUSSCGKSA-N 448.317 4.631 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(C)c(Br)c2)cc1 1673820119 TUTRRBKIHCQCLO-UHFFFAOYSA-N 442.357 4.893 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 1674988328 ZVISHYZKLQJSGN-UHFFFAOYSA-N 442.441 4.588 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 1675566733 BGNYLXQBKCRABZ-UHFFFAOYSA-N 429.520 4.812 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 1676480055 OTHUVHWVRYNPFZ-UHFFFAOYSA-N 435.524 4.708 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1682683772 NMSMQABXRZHSMC-WMLDXEAASA-N 430.902 4.720 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)c1 1685293454 AAGMJYYTBBKSNK-QGZVFWFLSA-N 434.334 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCC(C(F)(F)F)CC1 1689841391 FRTNSKZQRQGVMR-HJOIGYKYSA-N 448.489 4.543 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1689900383 FYDSAGONPGEILS-RSXGOPAZSA-N 447.671 4.958 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOC)CCC1 1690065354 UWPZFZSMMIVZKO-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)C1CC1 1690240083 BNHMQNQKAVPZHH-CVDCTZTESA-N 440.588 4.711 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2cccc(Br)c2C1 1690290674 VIDBMCUIYDTGRJ-UHFFFAOYSA-N 444.402 4.535 30 10 IJEE C=C(C)Cn1c(N(C)[C@@H](C)c2cccc(O)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690296795 OMTZFKMNHDVRSS-YTQUADARSA-N 441.576 4.528 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CC(F)(F)CO2)CC1 1690369131 YXEAFRJIHQOJMV-CQSZACIVSA-N 429.298 4.833 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSCC1 1690421084 WTANZLDSPXVHSB-GOSISDBHSA-N 430.618 4.972 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1690424602 UHNHTNPVLQWMNF-LJQANCHMSA-N 436.560 4.632 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690455610 LPNQOXVZJYHGMG-GOSISDBHSA-N 439.947 4.626 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC=C(C(C)(C)C)CC1 1690481808 QBQWPDIJDKGWMZ-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1690500318 RCYNOHBEPFIRQR-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)C(C)(C)C1 1690500335 RPOMWDHRNWLPDV-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(SC)cc1 1690517393 DLCQSRQKYCQOBT-UHFFFAOYSA-N 432.391 4.623 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OCC(F)(F)F 1690521775 IZLLCLSMVPFMCH-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@H](C(C)C)N1CCCC1 1690569372 GTVQGAIZASFNKU-QHCPKHFHSA-N 436.579 4.725 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1csc(CC)n1 1690570099 VQAVQKXDKJRIPB-UHFFFAOYSA-N 436.560 4.683 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1Cc1cccc(Br)n1 1690578499 ZNMBZVGLURRGDU-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(Cl)s2)C1 1690709734 KVCOIOSIPMNFIY-IBGZPJMESA-N 443.016 4.998 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1690737010 WKHIAVFCRFPXEX-QFIPXVFZSA-N 426.630 4.680 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccnc(Oc2ccccc2F)c1 1705483225 PZLSMFDDBQDVHA-INIZCTEOSA-N 431.471 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@@H]1C(=C)C 1705484139 JQGRGDNJIOSHIS-DCLXLUIPSA-N 446.551 4.556 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1CCC(C(F)(F)F)CC1 1705496359 FFKHDSUDZAJDMW-QQFBHYJXSA-N 440.460 4.974 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC=C(Br)C1 1705512371 ANDJMKAEXIRICZ-UHFFFAOYSA-N 436.357 4.786 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1705666998 ZTZGOHWWGODICB-GHTZIAJQSA-N 428.577 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 1705704428 UJMLWIOYAVNJMX-GJYPPUQNSA-N 438.469 4.844 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(C)C)C1 1705705259 FQFHJKDQNMVPTI-SLSDLSHTSA-N 438.616 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1705711603 AHAVIFJZPZQZBL-MRXNPFEDSA-N 433.984 4.914 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1OCC(F)(F)F 1705718152 BORGJYSKRYVENH-UHFFFAOYSA-N 445.489 4.656 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1705721371 XINDOWTXDXKQMJ-CTNGQTDRSA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705805950 STNXLVHPBNVKPO-GPMSIDNRSA-N 436.478 4.782 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1705821461 XVQRKWNAAGITLF-UHFFFAOYSA-N 438.597 4.953 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CC(C)(C)CN(C)C 1705865747 VCVVKKYFDACJBE-UHFFFAOYSA-N 427.593 4.926 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC12CCOCC2 1705869699 BMBOXAQCEDXUFG-OALUTQOASA-N 426.536 4.552 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1705942038 GESPCXFOWPQLBB-PXNSSMCTSA-N 448.423 4.756 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](OC)C(C)(C)C1 1705942130 IIAYVOPPQCIHAL-UZLBHIALSA-N 446.686 4.912 30 10 IJEE CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CCCC1 1706959551 DANFNVLBBCXKIU-NRFANRHFSA-N 448.615 4.528 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1709246073 HSZFGIFERKZHFX-JXALWOEJSA-N 425.552 4.742 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccc(F)c(F)c1 1722344722 BAYWXQXEDUOLEF-HNNXBMFYSA-N 442.535 4.558 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1c(C)noc1C 1722375052 GVOXSKNJOQDDJY-UHFFFAOYSA-N 445.523 4.539 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCC[C@@H](C)C1 1722418086 DOYAVOUQZSAWDQ-HXUWFJFHSA-N 448.590 4.563 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1722519191 NUVCEOSPXTXSHV-QUCCMNQESA-N 427.980 4.597 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722555703 FPVUESGHFMZKCL-PXAZEXFGSA-N 445.778 4.778 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)c1ccccc1 1722596453 JGHRIYCKFJMNFG-XMMPIXPASA-N 449.643 4.819 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)(C)C)CC1 1722608706 KRAUJENUHUXMNU-NRFANRHFSA-N 425.621 4.922 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1722613001 OOVIDHGUKOLNLF-UHFFFAOYSA-N 446.454 4.779 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@H](C)C1 1722661485 HIDGHAAEHBKXOT-YDHSSHFGSA-N 430.618 4.621 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(CCC#N)CC3CC3)n2CCC(C)C)c1 1730030174 GVGBGWISNVWPCT-UHFFFAOYSA-N 446.393 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1740558887 IHNXJEXLDGIHOX-MIZPHKNDSA-N 426.630 4.788 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1740580640 FCXHUUHNNLNFSU-VQIMIIECSA-N 431.378 4.545 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCC2(CCCCC2)O1 1740630945 GTBXYFYJZWTGRM-RPWUZVMVSA-N 430.596 4.775 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCc2cc(OC)c(C)cc2C1 1740741065 OSERXBXMPNXGIW-UHFFFAOYSA-N 443.345 4.635 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN(C)C2CCCC2)CC1 1740828960 FDDDMFANGHHZFE-UHFFFAOYSA-N 425.646 4.910 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1)c1ccccc1 1740854255 MGNUNYRYOJXJGG-QHCPKHFHSA-N 444.583 4.505 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740866255 YAQSFQLXWUWKTB-RUZDIDTESA-N 437.588 4.726 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1oc(CCC)nc1C 1740918387 PASSTKPIUFPWQW-NRFANRHFSA-N 435.572 4.662 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@H]1C[C@H](F)C1 1740932734 UVTCEGUOZLTLAM-KESTWPANSA-N 447.599 4.709 30 10 IJEE CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1745676888 GFUCCPZYKCEUBB-FGZHOGPDSA-N 437.588 4.526 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(C(C)C)CC1 1748702049 XYELDLPGNSJFHP-UHFFFAOYSA-N 430.600 4.526 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCCC2)CC1 1748738580 IRZSUICDBNKQIQ-UHFFFAOYSA-N 432.399 4.730 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748773542 ZBXKDXUTMLXJBO-DBXWQHBBSA-N 442.579 4.856 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOC)CCCC1 1748777360 JRWGVHPYOUNFEZ-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@@H]2CC)CC1 1748983311 NPFFNVVYBDOLMN-ROUUACIJSA-N 446.426 4.833 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC1CCC1 1749022507 CKNVDOXZLSXNFL-UHFFFAOYSA-N 433.625 4.955 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccc(C)o1 1749109528 OUKAPCRMEJEBSN-UHFFFAOYSA-N 429.362 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CCOC)C1 1749124805 PMIYEJXMQZMQIM-LZJOCLMNSA-N 448.970 4.582 30 10 IJEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1749198273 BNBCXOPKJLGJSQ-UHFFFAOYSA-N 440.473 4.748 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)N2CCCCC2)CC1 1749343732 QSPRDRWKWQRBCN-UHFFFAOYSA-N 443.586 4.814 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1749512129 TXZHOQRQUQUFMX-IAGOWNOFSA-N 445.405 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@H](C)C1 1749552912 KNOQQNQTFVMYGH-TZIWHRDSSA-N 437.613 4.723 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1749561153 HKQVLACCQUQFME-SFTDATJTSA-N 437.632 4.889 30 10 IJEE CC(C)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(F)cc1 1751276614 CXWACYVKYHNZNK-VWLOTQADSA-N 432.547 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCC[C@@H]1CC 1760101825 VXBBIAXAFRCVCI-SFTDATJTSA-N 430.600 4.524 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC(C)(C)OC[C@@H]1C 1760157722 ZRWNBTBJPBTONW-IBGZPJMESA-N 445.007 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCC1CC1 1760328124 QSVKIFAQOVROGW-YUMYIRISSA-N 430.637 4.804 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](COC)OC)CC1 1760382285 NDQYQUOIRMPBGV-UYAOXDASSA-N 448.995 4.506 30 10 IJEE C=C(Cl)Cn1c(N(CC)Cc2c[nH]c3ccccc23)nnc1[C@@]1(OC(C)C)CCOC1 1760386684 GMQVGFFZJFAKOS-HSZRJFAPSA-N 443.979 4.579 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1760399825 DSDRMJPCCHGPSM-QFIPXVFZSA-N 436.991 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)c1ccccc1 1760407823 QCZZUEMIXIFBJN-IBGZPJMESA-N 432.572 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCOC2(CCCC2)C1 1760416026 RWNITPBSLDYEGR-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)OC1CCCC1)c1ccccc1 1760417135 WGYXPXFTLNOGEG-HXUWFJFHSA-N 446.555 4.596 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)CN(C)C 1760485841 SJNUQWYCWLYPFX-UHFFFAOYSA-N 445.036 4.835 30 10 IJEE CSc1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1770489837 BCDBFBRSEJOGON-NFBKMPQASA-N 425.602 4.614 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C(C)C)cc1 1862469470 NXQMMVSNTQOSAI-IBGZPJMESA-N 444.325 4.835 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862479103 YRSKGLLUJXNXDW-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504059 LSKBEBWACBGSPH-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(O)c2)ccc1F 1862507986 WITCEUBEUDNLCO-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862510506 AMZFYOTZAYUBGQ-BLVKFPJESA-N 447.890 4.879 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(C)cc2)cc1 1862554417 BYWZKMMHYHXOPE-XDHUDOTRSA-N 442.515 4.925 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(Cl)c2)c1 1862560300 HAYFMAURIVUDDI-FQEVSTJZSA-N 438.936 4.805 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862597033 KYMBWDLGFDYFQA-DEOSSOPVSA-N 443.499 4.878 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)cc1 1862714955 IJJVVANANPPGIA-XMMPIXPASA-N 445.515 4.589 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)c1 1862715338 MCZJKHYCEUPGOJ-XMMPIXPASA-N 445.515 4.589 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862718048 RWYOOZCCYTZRCV-JOCHJYFZSA-N 430.460 4.982 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863124913 SHMPAWCDEJPCAR-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE N#Cc1cc(Br)c(NC(=O)C(F)(F)c2ccccc2)c(Br)c1 1866154627 UGVWKUVVOXINON-UHFFFAOYSA-N 430.046 4.814 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccccc2-c2ccccc2)cc1Cl 1870146780 HZUMOEIEZCFESM-UHFFFAOYSA-N 429.867 4.720 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCC(C)CC1 1870478360 WDXWBZPRELYMDI-UHFFFAOYSA-N 434.621 4.771 30 10 IJEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CNc1cc(C)cc(C)c1 1870832786 IXWMSGNGERHDLR-OAQYLSRUSA-N 445.563 4.519 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2cccc(F)c2)cc1=O 1870836852 XWKHWDHHJLJTLY-UHFFFAOYSA-N 426.536 4.915 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CNc1ccc(C(C)C)cc1 1871001861 XHOCEDNPFRQGQN-UHFFFAOYSA-N 436.508 4.728 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1cc(C)cc(C)c1 1871159755 QTXQHNJDPDBKNT-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)c1 1871346362 BMZSRTUGUZIPPY-IWIPYMOSSA-N 429.472 4.542 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871453994 CTRDTUGRJUEYRN-MYYYXRDXSA-N 442.515 4.949 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1)S(=O)(=O)CCCC 1871800703 FSHHIQOKXZPIML-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871879804 YEBKIPQFHHNDGY-IBGZPJMESA-N 441.380 4.978 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 1872007979 KYCNZWGXDFSZTD-IBGZPJMESA-N 428.598 4.887 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872145911 ZURXYJQGPCUMHC-QHCPKHFHSA-N 441.597 4.764 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872281752 MPIKJANBFIUGBH-FOIQADDNSA-N 438.952 4.709 30 10 IJEE N#Cc1ccc(Nc2[nH]c(=NCCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 1873477294 KZTWLDPAQNZCRH-UHFFFAOYSA-N 431.503 4.507 30 10 IJEE O=c1cnnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc2[nH]ccc12 1873494872 HEHIYURQMQGSSL-PGGKNCGUSA-N 430.320 4.601 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1cccc(Cl)c1 1873504807 MMNNEOXPCOEIBL-KCDOPAPYSA-N 444.944 4.542 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc2c(N(C)C)ncnc21 1873649188 PLMXCIXWXRFQTQ-UHFFFAOYSA-N 427.508 4.515 30 10 IJEE Cc1ccc(C(=O)N2[C@@H](C(=O)Nc3cccc(C#N)c3)CS[C@H]2c2ccccc2)cc1 1873866939 OIOOQBNKVZQRSN-RDGATRHJSA-N 427.529 4.762 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(OC)ccc3OC)c(=O)oc2c1C 1873931254 IJNJQFYDHLJOET-UHFFFAOYSA-N 437.492 4.563 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874264271 PCZIPLMGKFHLFI-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874307023 BUWWIWKKGLHCCE-NLRVBDNBSA-N 431.565 4.617 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874307582 DWBOUHXPJBAXHV-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE Cc1cccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2cccs2)c1 1874334142 HSYBHDWRTWYSIJ-KCDOPAPYSA-N 439.610 4.547 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874476710 UVFQGUXJGPHDOU-ZMOGYAJESA-N 444.532 4.657 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2C)cc1 1874487499 NQQKEXIQZJTQLX-MFKUBSTISA-N 435.597 4.960 30 10 IJEE Cc1ccccc1CSc1nnc(CC(C)C)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874488849 MCYULMSTRLAFOJ-WSDLNYQXSA-N 425.514 4.573 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)C)c1 1874510372 PGVUBCWYALNNCT-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cc(Cl)ccc2O)cc1 1874512232 NMAQJRITZUHOTI-FOKLQQMPSA-N 443.960 4.682 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)c1 1874706437 IASMRNXVUBBFSH-VMPITWQZSA-N 433.460 4.531 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OC)c(O)c2Br)c(OC)cc1Cl 1874717285 JMRBJASCBSFOBV-GQCTYLIASA-N 427.678 4.730 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)cc1OC 1875098322 CTOSYAJJIHYWLC-VQHVLOKHSA-N 428.481 4.569 30 10 IJEE N#Cc1ccc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)s1 1951442285 AKLXGGNBNFZINC-HNNXBMFYSA-N 432.501 4.717 30 10 IJEE CC1(C)C[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)N(C(=O)OC(C)(C)C)C1 1964910030 WIPBZQOAJCUCFU-OAHLLOKOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]23CCC[C@]2(C1)CN(c1ccc(C#N)c(Br)c1)C3 1965685870 MOMKJVXTYMKBQP-NHCUHLMSSA-N 432.362 4.548 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C)O1 2004943853 GHLFSDCRYLSYNI-XBYSBRQOSA-N 432.605 4.588 30 10 IJEE COc1ccc(C=CC(=O)c2cc(F)ccc2OC(=O)c2ccccc2OC)cc1OC 2040466870 PNLKSSQYNNWELL-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)c(F)c1 2079051739 KMWJLBRMZCSPCS-AAWXNRKFSA-N 441.288 4.866 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Nc2cc(Br)cnc2C#N)cc1 2167621701 GNGYTIBAWDCZQU-HOTGVXAUSA-N 429.318 4.840 30 10 IJEE N#C[C@@]1(c2ncc(I)cc2Br)CCCc2ccccc21 2189902507 XBTZKPIAGHUJQN-INIZCTEOSA-N 439.094 4.595 30 10 IJEE C=CCC1(C(=O)N(C)Cc2sc(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2229409776 ORQKPKGUZDHTEQ-UHFFFAOYSA-N 443.407 4.591 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1(CNC(=O)OC(C)(C)C)CC=CC1 2235747076 NEGOKQXHUNZRBA-LJQANCHMSA-N 433.390 4.640 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2235750250 SQEGNQPMFGZOEP-DMUMMCEESA-N 433.390 4.567 30 10 IJEE CC1(C)OB(c2cccc(F)c2C(=O)N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241479093 RDFAHBHFPUICRW-UHFFFAOYSA-N 445.343 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@H](N)CC#CC2CCCC2)C1 2251485250 QFBHISNACVREKW-BVAGGSTKSA-N 426.601 4.741 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)cc1 2255702147 BONMXIKDYRBJAK-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CC1(C)OB(c2cc(F)c(C(=O)N(Cc3ccccc3)C3CCCC3)c(F)c2)OC1(C)C 2267012686 YHKIYEPFDCKNMT-UHFFFAOYSA-N 441.327 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](O)C#Cc3ccc(Br)cc3)C[C@H]21 2296284065 MXNMSVQDQVGEJL-XEYPJELSSA-N 434.374 4.587 30 10 IJEE C[C@@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)C1 2296598752 CQEZUTLYWOFDHN-CQSZACIVSA-N 441.911 4.760 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN(Cc1ccc(F)cc1)CO2 2296984248 HENVSVWAWGERTE-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cc(C)n(C3CC3)c2C)C1=O 2297454275 QSGMAAFAVLXJHA-UHFFFAOYSA-N 438.549 4.992 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)cc1OC 2297746783 BTXXEIQRRMUCAU-JOCHJYFZSA-N 449.890 4.984 30 10 IJEE CCc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 2314474688 KXRYQHIWWHPPPP-NRFANRHFSA-N 431.517 4.591 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 2321230034 MVVDUQKMMJAHQJ-UHFFFAOYSA-N 437.569 4.687 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(C[C@@H]1CCCO1)CO2 2321961825 ZBNVQZCTPMDTOD-AWEZNQCLSA-N 429.875 4.735 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2ccc(Br)cc2)c1OCCCO 2322423935 BBIFVZUPJXQCLL-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE Cc1c(OC(=O)c2cccnc2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2322810067 LHWUMPVEIKGBED-UHFFFAOYSA-N 449.846 4.745 30 10 IJEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323226265 PXZRGXHHBDKCOP-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(Br)c1OCC(N)=O 2324563842 SQQYCAVHGUYWTB-UHFFFAOYSA-N 446.341 4.533 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2325513332 PSUSIXOREMZYHU-UHFFFAOYSA-N 440.485 4.612 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cc(C)ccc1O 2326272596 QBMYDXQQZNWSEJ-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1N=Cc1ccc(C(F)(F)F)cc1 2326793850 XBPOQJWBAOGYIS-UHFFFAOYSA-N 436.459 4.879 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2327674350 ACZPPXBTLLDXLM-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(SCCCO)nnc2-c2ccccc2Cl)cc1 2329609067 SUMCXQOCPOGCBV-UHFFFAOYSA-N 444.004 4.801 30 10 IJEE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 2330494815 MWTVJQHVLFVFSM-DEOSSOPVSA-N 443.934 4.981 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 2330974574 QYAHEVPKOBJOOL-UHFFFAOYSA-N 448.431 4.512 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)cc1O 2331211142 AIBCIMIJVHUUIE-UHFFFAOYSA-N 426.885 4.777 30 10 IJEE C=CCSc1nnc(CCOC)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331293941 UYEZYXNGCVPCBA-UHFFFAOYSA-N 435.597 4.654 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CC2)cc(Cl)c1O 2331726485 QAYIKVHJBCJAHE-UHFFFAOYSA-N 432.908 4.837 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(Cl)c2)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332187541 QHVDEADQDHOJPP-UHFFFAOYSA-N 436.661 4.890 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]2(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339585943 WSXROTUSSKMWQR-JEAMOKKESA-N 442.365 4.505 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339588106 DAJJDIPPNQENHQ-XYDKVEKUSA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)N1CC=C(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339593672 JJHVNMHWBKHANB-JLHYYAGUSA-N 442.365 4.672 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2360197215 HXTYXGAULJDIOY-POAQFYNOSA-N 435.406 4.814 30 10 IJEE C=CCC1([C@H](NCC)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2364629842 HBAZOZTXSJBQLQ-GOSISDBHSA-N 439.394 4.922 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 5926278 JADZXABIVRLRAS-QFIPXVFZSA-N 449.459 4.566 30 10 IJEE COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc(OC)c1O 21219641 QRTCPODZPQRLIL-APWZRJJASA-N 449.547 4.711 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1 27097640 BDUINCPOTXPKBT-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE COC(=O)c1ccc(/C=C2/Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)cc1 34387157 GXNNRPFYHCTMKP-PQPGHHCSSA-N 426.424 4.708 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 63391100 JOCZUWMAMIKQOK-UHFFFAOYSA-N 443.525 4.531 30 10 IJEE CCCCCCCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 100881416 PPXQOHZLVMHSFU-UHFFFAOYSA-N 438.568 4.723 30 10 IJEE Oc1ccc2cc(Br)ccc2c1/C=N\n1c(S)nnc1-c1cccs1 169912539 XEUIZISBQSFPDO-OCKHKDLRSA-N 431.340 4.799 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccnc2)s1 170013480 ZQOUWEQZUHQIDM-KRWDZBQOSA-N 448.529 4.548 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)cc1C 170044116 NOZFQSUDFWBPPW-NRFANRHFSA-N 441.911 4.884 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1C 170050160 FSMUJOSUXAILSS-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1ccc(OC)cc1 170116050 RHWZXJVEGWGPNK-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1cccc(OC(C)C)c1 170153711 DOPKSMQFOSHPSL-OAQYLSRUSA-N 427.472 4.610 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1cccs1 170160555 DFLBBEWKQYXIDB-HXUWFJFHSA-N 439.464 4.693 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)cc1C 170184292 IFXDMNGVAUXNQW-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccncc3)oc12 170200187 APLMXLQGFDATQQ-NRFANRHFSA-N 444.418 4.758 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)c1 170203292 BTIWPTNNOFYNLN-QHCPKHFHSA-N 428.488 4.899 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)c1 170205132 WQGRXYQNXJVAGU-QFIPXVFZSA-N 426.428 4.625 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(C)o1 170308300 IUYCXKQUJAAQNW-OAQYLSRUSA-N 425.481 4.516 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2sccc2C)cc1 170315265 QLWQCWUUKWGRGB-FQEVSTJZSA-N 433.485 4.877 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccn2)cc1 170413614 CHOZETVWQZRNAJ-JOCHJYFZSA-N 447.560 4.768 30 10 IJEE COC(=O)C(=NNc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 254448176 MDQXWXSWNXVXAL-UHFFFAOYSA-N 429.505 4.625 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 409479707 YJPYSQTWYHJYTO-CYBMUJFWSA-N 435.293 4.776 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2cccc(Cl)c2C)CC1 460964400 SZEOUYWXIOITAV-UHFFFAOYSA-N 436.991 4.519 30 10 IJEE CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 490227112 LLJNEIYOMNPYPM-HSZRJFAPSA-N 444.466 4.759 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 493834044 GDVNUPYANCWUMK-UHFFFAOYSA-N 427.508 4.849 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 508749004 UBVSHIHPVOZXTJ-UHFFFAOYSA-N 448.615 4.896 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](c2cccs2)C1 508839019 BKDOGHMEJUFKFX-HXUWFJFHSA-N 440.569 4.568 30 10 IJEE C=CCn1c(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)nnc1C(F)(F)Oc1ccccc1 521444230 UDDNGJSCUQEMKP-AZYRPFHASA-N 446.523 4.527 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(Sc2ccccc2)C1=O 526658459 MERAEZQMVZJBSQ-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 549018521 DXFHEWSRIDETLD-UHFFFAOYSA-N 433.434 4.509 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 557604821 ADWYAHIYQFDYLU-XMMPIXPASA-N 436.600 4.680 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)/C=C/c3ccccc3)C2)c1 586021544 OZWAKVZSDMRTTD-RFAWQRTRSA-N 431.580 4.958 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(=O)O)cc2)cc1 586252141 TXKGVPJBRRBQFI-UHFFFAOYSA-N 448.544 4.949 30 10 IJEE N#Cc1nc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1Cl 687739649 ATSBWNVOCDZSFU-NRFANRHFSA-N 447.878 4.661 30 10 IJEE CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc1 744033610 WJSOUIQHQBOLJG-SZEUEKNRSA-N 444.409 4.633 30 10 IJEE CC(C)(C(=O)NCc1cc(C#N)ccc1F)[C@@H](O)c1ccc(OCc2ccccc2)cc1 778806221 NTWKGLIHEVBVCG-DEOSSOPVSA-N 432.495 4.652 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 796778147 FRCGJKHRYAVBDR-UGSOOPFHSA-N 446.475 4.566 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C 1125672436 LYCZGJJGLDJZEQ-KRWDZBQOSA-N 428.342 4.717 30 10 IJEE C=CCOc1ccc(COC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)cc1 1127856961 WYKAIMQWUJSJGU-UHFFFAOYSA-N 437.805 4.861 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1csc(-c2cc(Br)ccc2OC)n1 1127894638 HJFOLTDYMGMENH-UHFFFAOYSA-N 447.276 4.609 30 10 IJEE C#Cc1cccc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)c1 1129843808 OIIKAGSEZTWZQN-YADHBBJMSA-N 438.955 4.588 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)nnc1-c1ccco1 1131264646 GNRSSKYJDVYDMQ-KRWDZBQOSA-N 446.479 4.631 30 10 IJEE C=C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 1170875561 VYCOSIIDKFYEAC-GMQQYTKMSA-N 426.560 4.749 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1C 1191380915 CUHYFQZFHGUXJW-ZCYQVOJMSA-N 432.612 4.535 30 10 IJEE CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)no1 1191380929 DEPIVTJMNSFOGV-SJLPKXTDSA-N 427.574 4.610 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2ccncc2)C[C@@H]1C 1198877407 DFHTUJKWQFUQNT-IBGZPJMESA-N 427.508 4.797 30 10 IJEE CC[C@H](Cc1ccccc1Br)NC1CCN(Cc2ccc(C#N)cc2)CC1 1201379759 HLUSBBQGJJBPKR-OAQYLSRUSA-N 426.402 4.896 30 10 IJEE CCOCc1ccc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1 1205103953 CBNZWOXKJAOMMA-UHFFFAOYSA-N 431.540 4.900 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)CCCC1(C)C 1211693540 AFHCYCZBUCQTQR-CYBMUJFWSA-N 446.798 4.506 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4cc(F)c(Br)cc4C3)cc21 1220204251 HDOBVMYEKMEETI-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 1229990600 WVLZGDSCLSELFV-GGAORHGYSA-N 443.385 4.630 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1230488761 CHPVDUMZBZMUAQ-UXHICEINSA-N 439.943 4.680 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 1264043618 RSBYIAUXCXUSGP-RUZDIDTESA-N 447.556 4.955 30 10 IJEE C=CCN(C(=O)C[C@@H](C)c1ccco1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1264307826 PADXHTCNDBKLIF-OAHLLOKOSA-N 430.551 4.519 30 10 IJEE C=CCC[C@H](C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1264631385 QBGWVVPYBKXIKT-NRFANRHFSA-N 430.470 4.740 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](SCC)C1 1286356588 KMMDEHCOSSKCTC-JOCHJYFZSA-N 426.630 4.999 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CSCCS1 1286460846 KPZPYVSVTFBNGO-NRFANRHFSA-N 444.645 4.638 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N(CC)CC 1286529156 USWDFEQEYHRFOC-WZONZLPQSA-N 446.064 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1ccco1 1286566003 FSZNPFMVYXCLSK-UZUQRXQVSA-N 444.963 4.975 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1csc(CCc2ccccc2)n1 1286571670 QQMQBTYNWVNDIC-UHFFFAOYSA-N 446.624 4.976 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC2(CCOCC2)C1 1286632817 FEGLRKJJOWORGP-UHFFFAOYSA-N 430.980 4.623 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1286639133 YJGBDOXXLGTTPN-VQIMIIECSA-N 448.409 4.643 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)CN(C)C)CC1 1286651703 IXAMPNNWPKFWNF-GOSISDBHSA-N 429.584 4.547 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN(C)C2CCCC2)CC1 1286659916 ZHKIPJTZFYNOES-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1286696038 RFPMLDVROKZERY-UHFFFAOYSA-N 443.935 4.753 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Br)s1 1286719129 JHIVQPDMNZLDJK-UHFFFAOYSA-N 428.359 4.506 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1286721283 WHVAQPBUHXITQQ-AVRDEDQJSA-N 437.613 4.721 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1cccc(C)c1 1286724868 NJFVZCWQHFKCEO-OAQYLSRUSA-N 439.604 4.566 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCN1CC 1286748629 YGFKUDVMNVHFSW-JOCHJYFZSA-N 446.624 4.945 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCN1CCCCCC1 1286749356 QBKHXZLJYPEDCL-NRFANRHFSA-N 429.634 4.650 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CCOc1ccc(Cl)cn1 1286752793 HXWATNGAYGXKBE-UHFFFAOYSA-N 430.339 4.904 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@]2(CCOC2)O1 1286756592 ZXLMCEQOSFNWSB-VGOFRKELSA-N 449.382 4.768 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1 1286761273 VYZAGIFRFLVKFB-SZPZYZBQSA-N 449.599 4.941 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncc(CC)s1 1286766086 MIRYUXLMXXVMQG-UHFFFAOYSA-N 439.629 4.949 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)C2CCCCC2)C1 1286805289 PTFPQBSPOWXMOU-YADARESESA-N 445.007 4.711 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](O)c1ccccc1C(F)(F)F 1299171417 YPHLAXVAEFWBTM-INIZCTEOSA-N 430.220 4.705 30 10 IJEE CO[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C 1299676244 BVAMHHVAPHKVLT-QHCPKHFHSA-N 437.588 4.526 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C1 1299749852 DLLRIEWZFCXJKW-JOCHJYFZSA-N 429.515 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCN(CCC)C(=O)OC(C)(C)C 1300276135 HMZJXNIULLRRLI-KRWDZBQOSA-N 445.995 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1CCC(F)(F)CC1 1300293820 SHIRLBHYCZYPKB-AWEZNQCLSA-N 437.332 4.991 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@H](C)[C@H]1C 1300393757 KJOSUBZRZUGHJL-HZPDHXFCSA-N 433.419 4.760 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CCC(F)(F)F 1300422583 TWDGWCWTIDCENR-UHFFFAOYSA-N 435.277 4.966 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OCC=C)cc1 1300441503 PWUCNDSTLJZTLN-SFHVURJKSA-N 432.593 4.814 30 10 IJEE C=C1CCN(c2nnc(-c3cccc4cccnc34)n2CCSCC(F)(F)F)CC1 1301075129 USBUHYZRWSUFFE-UHFFFAOYSA-N 433.503 4.945 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1301127896 XJFVZOVLJBFELM-HXUWFJFHSA-N 443.586 4.670 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCCCC1)c1ccccc1 1301164065 PXUXVIOJMUZMJJ-OAQYLSRUSA-N 430.556 4.666 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 1301237704 VXJQTVREYKXELL-FGZHOGPDSA-N 441.595 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1301363652 YBYPNEUVTBVASM-FQEVSTJZSA-N 443.661 4.691 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1301420551 FHOXLCSFNCGBPZ-NHCUHLMSSA-N 426.605 4.814 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCC2CCC(OC)CC2)C1 1301558141 ZWBNZUGKJVRMKV-FOJYNEPKSA-N 438.616 4.554 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2c(Br)cccc2C#N)CC[C@H]1C(F)(F)F 1307212166 SFSIEIVSCJLXDX-TZMCWYRMSA-N 448.283 4.603 30 10 IJEE C=CC[C@H](C(=O)OC)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1307454079 HJQLNRTZKCACOA-OAQYLSRUSA-N 433.379 4.818 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1cc(Cl)ccc1I 1310777941 FWJHEGTVCBAXLF-UHFFFAOYSA-N 430.673 4.800 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1310862488 KIMQGDONUOCBGL-UHFFFAOYSA-N 432.274 4.512 30 10 IJEE Cc1cc(C#N)cc(NC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 1310871252 CEMBLXGGAWYNQI-HXUWFJFHSA-N 426.561 4.758 30 10 IJEE CN(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccco1 1314646890 GADCOTSBBYUGJJ-CVDCTZTESA-N 438.963 4.624 30 10 IJEE C=CCC(F)(F)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1349885097 GOMIMHAMHFKNHA-UHFFFAOYSA-N 438.496 4.659 30 10 IJEE C=CCN(C(=O)CCn1cnccc1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1350742195 RZEYDRMIZAZGEC-UHFFFAOYSA-N 442.544 4.643 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC)CC(C)C)c1 1352376067 WFSLFPFCFPXZCC-UHFFFAOYSA-N 434.989 4.839 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(CC)n1)c1ccc2c(c1)OCCO2 1352837055 FNBGBORKIWGLOL-UHFFFAOYSA-N 430.504 4.827 30 10 IJEE C=CC1(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC(C)C)CCCCC1 1355287683 RIPVNLDCTOEXGX-UHFFFAOYSA-N 436.618 4.969 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCO[C@H](C)C1 1358970959 BVERZAMMTIBAPR-SJORKVTESA-N 438.984 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1359071787 CUIMBFSVJUAKRY-SACAOSOOSA-N 433.644 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1359108121 CEXFDMVGROLEFP-ICSRJNTNSA-N 432.515 4.930 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCCN1CC 1359115703 KOPCUYSSOJEBCI-JOCHJYFZSA-N 425.621 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359184456 PVXZCVXOCGDBKB-NRFANRHFSA-N 449.603 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1359187001 ZHUVNGZQOZUZOM-UHFFFAOYSA-N 435.532 4.661 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCO[C@H]1C(C)C)C1CC1 1359247649 KZTSCENZRUKPSK-BEFAXECRSA-N 448.409 4.642 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC(F)(F)Br)C1CC1 1359248458 OTNZNYGSWARVKB-UHFFFAOYSA-N 435.675 4.880 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(CC)C1 1359262395 RXWVPOZZGJDOOO-LJQANCHMSA-N 437.613 4.550 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359276595 JHBFUJUNRUSDIO-WOJBJXKFSA-N 437.588 4.795 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1359339548 JADPKIZAKQQIBY-MJGOQNOKSA-N 428.602 4.650 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)c2cnn(CC3CCC3)c2)s1 1440019550 JYTRFZQYGLRMOV-CYBMUJFWSA-N 425.023 4.713 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)Cc4c(C(F)(F)F)ccc(C)c43)cc2C1=O 1440055343 ACQBDZCCWUOQJB-CYBMUJFWSA-N 442.437 4.635 30 10 IJEE C[C@H]1CN(Cc2ccc(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)cc2)C[C@H](C)O1 1458099500 AHJFXCKVRRVMJS-PMACEKPBSA-N 443.595 4.705 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cccc(Cl)c3Br)CC2)c1 1466448551 CAANRELWJLPWNL-UHFFFAOYSA-N 447.764 4.760 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2nc([C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)n1 1467146555 IMSKOIMIDJERAW-HUUCEWRRSA-N 439.507 4.863 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)cc21 1467381645 RIMPBIWFXVLOPX-QFIPXVFZSA-N 444.457 4.764 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)cc1OCC 1474216531 XHVDKSWULAQXEM-DUXKGJEZSA-N 432.333 4.980 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCc2ccc(C(=O)OC)cc2Br)c1 1476102847 KFYFEJJZCQUYRP-UHFFFAOYSA-N 433.302 4.512 30 10 IJEE C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1477256913 GIWBWQNDJWZKAK-KUHUBIRLSA-N 436.408 4.817 30 10 IJEE CC[C@@H](C)N(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1496133178 FZSGDINZKRRFLR-OAHLLOKOSA-N 435.403 4.722 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@H]1C 1507664434 RLJACHMWKKFNGR-XLIONFOSSA-N 439.401 4.915 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCC1CCN(CC(F)(F)F)CC1 1507762171 QCWYEAHYQMRSEX-JOCHJYFZSA-N 449.521 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507762590 WCVBPVNFIFKFEZ-TVZXLZGTSA-N 431.584 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCSC1 1507772015 KMRIFTXRNMGCCG-HRAATJIYSA-N 433.046 4.969 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507801364 UOCJYJXIUVLQPS-UWJYYQICSA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCO[C@H](C)C1 1507814798 IQIWTTCVGSCDOO-WOJBJXKFSA-N 442.604 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1507817189 OHYUADBAOMOBMK-UHFFFAOYSA-N 445.615 4.746 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2c(CC)nn(C)c2CC)CC1 1507885834 QHIBYOSYVGYAND-UHFFFAOYSA-N 439.007 4.585 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCC(F)(F)F)CC1 1507892262 OAQGDOQEFUASQO-INIZCTEOSA-N 443.514 4.849 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1507949784 LGJOQTQSXGJFOX-HXUWFJFHSA-N 439.510 4.556 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1508010264 PCQHFITVAYPQMK-OALUTQOASA-N 429.609 4.760 30 10 IJEE CC(C)c1csc(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@H](C)C#N)n1 1508415069 BLWUYPATQIMKIA-MRXNPFEDSA-N 431.569 4.717 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](F)(C#N)C1 1512621459 FLACZFVUYHBNFB-QGZVFWFLSA-N 426.359 4.647 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2c(C)cc(Br)cc2C)cc1OC 1519588454 JEQWZBSHLIZDHO-VQHVLOKHSA-N 430.342 4.969 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1522905167 MNSRYTDNIBLELS-DEOSSOPVSA-N 426.582 4.842 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc(CC)c(S(C)(=O)=O)c2)C(C)(C)C)cc1 1523247637 ZALUELKTDIIWRI-UHFFFAOYSA-N 429.582 4.658 30 10 IJEE C=CCC[C@@H](NC(=O)CC1(Cn2cnnn2)CCCCC1)c1ccc(C(F)(F)F)cc1 1526560100 GOWMEZFINLKMTJ-LJQANCHMSA-N 435.494 4.856 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)c1ccccc1 1526811923 XPRMZLYFKMLVAZ-HXUWFJFHSA-N 442.506 4.713 30 10 IJEE COc1ccc(Oc2ccc(C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)nc2)cc1 1530598531 ASWFJIIHDFYABH-UHFFFAOYSA-N 439.475 4.809 30 10 IJEE C=CCC1(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCOCC1 1531779914 YWLXJEWJGGGDMT-UHFFFAOYSA-N 429.904 4.715 30 10 IJEE C=CCCCCCCNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1532066712 DIASEWRBSIZFRQ-GOSISDBHSA-N 444.572 4.832 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 1534784374 HYONXUMAECAQDL-XLIONFOSSA-N 434.305 4.512 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@]23CCCC[C@@H]2C3)ccc1Cl 1535054175 RJAUYEXCBKEPPR-WZONZLPQSA-N 444.984 4.784 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)CC1 1537357270 SYBPCTXNJLOYOF-GNDQFBHHSA-N 444.575 4.796 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2ccccc2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1538619118 VKWSXCYMGIETMP-JOCHJYFZSA-N 434.561 4.542 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](c1cccs1)N(C)C 1539147983 LPQMMFFDQIKBNO-VQIMIIECSA-N 444.004 4.505 30 10 IJEE C#Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1 1539294757 LNPJULFKZTWCGV-GOSISDBHSA-N 429.314 4.635 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@@H](C)C1 1539344741 IVQGGDJAELDJEI-HKUYNNGSSA-N 435.597 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCOC1CCCCC1 1539347347 PNJWGMKLZSHXKF-UHFFFAOYSA-N 445.405 4.907 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nccs1 1539548634 SRYIQDBYBUKVMS-XMMPIXPASA-N 435.597 4.867 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(OC)c1 1539636872 MKGGIQWINPYAIY-NFBKMPQASA-N 438.597 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1539660350 ZBLAEUQTGVKYCN-SFHVURJKSA-N 443.592 4.612 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1539805724 OVTOVBGWUCLFOT-APWZRJJASA-N 425.791 4.950 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1539840402 SVDWYHUDFHHEBC-NHCUHLMSSA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1539989512 WQPOCDVTTYDDQZ-SFHVURJKSA-N 429.565 4.554 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCc1scnc1C)C1CC1 1540094455 GJXDHIAGXMDDTR-UHFFFAOYSA-N 444.402 4.870 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(F)(F)F)n1 1540177059 LDHKPKYDYCWBHO-IEBWSBKVSA-N 449.521 4.837 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCCC1(C)C 1540180650 RYYMBHSFZQOQGK-AREMUKBSSA-N 431.584 4.516 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1C[C@@H]1CSCCS1 1540185542 SWQRVGVPDJSFSR-HXUWFJFHSA-N 440.638 4.930 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCCO1 1540185964 XZDRGCHUFIOOGQ-LJQANCHMSA-N 426.948 4.996 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1Cc1ccc(C)nc1 1540187903 XUJDUYWRHZCQCT-UHFFFAOYSA-N 427.552 4.757 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CN(C)C1CCCCC1 1540699698 MXIUJKDYXUHYBG-QFIPXVFZSA-N 427.589 4.696 30 10 IJEE N#Cc1cc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)c(F)cc1F 1544822743 AHIWPOWAWLAFJC-UHFFFAOYSA-N 432.224 4.825 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccccc2N=S(C)(C)=O)s1 1544906712 BRCOXEVDDCVJQG-UHFFFAOYSA-N 430.020 4.836 30 10 IJEE O=C1/C(=C/c2cccs2)S/C(=N\N=C/c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 1554646355 DQVJLCNIPSOCAE-NUVRDJMXSA-N 438.490 4.756 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1ccc(Cl)cc1 1556907624 WBBYJBLZFITVJL-HXUWFJFHSA-N 440.833 4.680 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccccc1 1562296824 HFTKXXCJWMDSAB-DYESRHJHSA-N 449.942 4.849 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1 1564505792 LXPIEMNNCRNCGA-SFTDATJTSA-N 429.923 4.981 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1O 1570215143 WYDBTKYYTQEHRY-UHFFFAOYSA-N 448.704 4.811 30 10 IJEE C=CCC1(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CCCCC1 1585174272 NWHKYLVCFVPECX-UHFFFAOYSA-N 439.383 4.570 30 10 IJEE C=C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)C[C@@H](C)C2 1585421806 NPCBMTKXHYTTKU-WVGMXGFJSA-N 428.532 4.643 30 10 IJEE C#CCN(C(=O)CCOc1cccc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1586216287 CRLNBDNACMROQX-IBGZPJMESA-N 448.744 4.857 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)c(OC)c1 1587805765 ICUWJQBMKVSBBM-UHFFFAOYSA-N 449.454 4.979 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1588298018 QCQBECZNQDICJM-VXKWHMMOSA-N 444.627 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1nccs1 1589150826 LXSQAFRSYJCNLH-HKARXFIJSA-N 439.560 4.810 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1)c1ccccc1 1594544833 NBZDCJXVQRZJLX-GJZUVCINSA-N 438.616 4.611 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1594698334 NQFNLPBZZYFQMN-MOPGFXCFSA-N 443.592 4.942 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C)CC1)C(C)C 1595166475 UBLSERGKPJTBIX-DEOSSOPVSA-N 430.600 4.672 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595350703 SCIJIYJDBBPZQL-RXVVDRJESA-N 439.604 4.823 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(CC(C)C)C1CCCC1 1595649547 REAFJFPNWXXFMD-UHFFFAOYSA-N 434.588 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCSC(F)(F)F)C1 1595680151 HBVQSYSSQKRBHT-HNNXBMFYSA-N 432.899 4.633 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 1595700083 KJYMZEFRDGOHST-YRISNDGFSA-N 448.970 4.580 30 10 IJEE C#C[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccc(Cl)cc1F 1597001563 DFQHIHJGAJDHCF-NRFANRHFSA-N 430.310 4.968 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)NCC3(c4cccc(Cl)c4)CCC3)CC2)c(F)c1 1597190692 HGSCXWBENATWNC-UHFFFAOYSA-N 425.935 4.805 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@H](C)Sc1ccc(Br)cc1 1623168832 ACNMEYJBPROSGU-ZDUSSCGKSA-N 437.334 4.903 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1 1626428423 DSUDJKXVEDRGOP-HSZRJFAPSA-N 426.582 4.592 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCC1(C)C 1626454468 PWLXGNMEDMQTCV-JOCHJYFZSA-N 442.581 4.703 30 10 IJEE Cc1cnc2c(NC(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cccc2c1Cl 1626567129 DUSWRGDSLYWENW-UHFFFAOYSA-N 447.926 4.951 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)c1ccc(Br)cc1 1628542261 FLUBOUKEILYXJO-QGZVFWFLSA-N 445.313 4.606 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCCC[C@H]3/C=C\c3ccccc3)ccc2c1=O 1630404367 ULDAYNPUTWJAAG-KGXYIWNSSA-N 445.588 4.969 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1 1630744073 KKUGVDNPZMRWCV-OAQYLSRUSA-N 441.959 4.581 30 10 IJEE C=CCC[C@H](NC(=O)CSCC(=O)Nc1cccc(Br)c1)c1ccccc1 1631091138 VPKRBWATQPRKNZ-IBGZPJMESA-N 447.398 4.945 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 1632926279 YBYVNEPFOANOBF-HNNXBMFYSA-N 439.343 4.809 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1637048204 XNLVGWDYVAGWQK-RXFWQSSRSA-N 442.559 4.874 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cccc(C2CCN(Cc3ccccc3)CC2)c1 1639687948 QVCURXJWMFXABN-UHFFFAOYSA-N 426.520 4.599 30 10 IJEE C=CCn1c(Sc2cc(C#N)sc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 1642012501 JUHZDMKCWAIISB-UHFFFAOYSA-N 448.327 4.886 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1644788621 ZYYKXMIQAXIPCP-HXUWFJFHSA-N 442.600 4.747 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1)C(=O)OC 1644819211 DCLDCCNVFGBGAH-QFIPXVFZSA-N 435.499 4.615 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1 1650749905 UKPQYIDFOHHQIZ-UHFFFAOYSA-N 438.524 4.763 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)C(=O)OC)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1652384366 DAJGEAUGZHTHHF-UKRRQHHQSA-N 447.626 4.566 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1654702184 CWOOPNIRIVOYJO-GOSISDBHSA-N 441.471 4.786 30 10 IJEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c2cccnc12 1655746969 GZLISHOWMGBUPX-HNNXBMFYSA-N 433.455 4.665 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)c1ccc(Br)cc1 1663548513 MDKVECPDTVWUKS-SFHVURJKSA-N 434.742 4.909 30 10 IJEE CCOC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(OC)c1 1674514232 HLVKWKLDMVXUIU-UZLBHIALSA-N 441.553 4.905 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 1676657808 SVLLGCPOJVCVQW-JOCHJYFZSA-N 427.614 4.928 30 10 IJEE C=CCCC[C@H](NC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 1680668065 UNMFDMYUNBCLNW-DEOSSOPVSA-N 441.019 4.859 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1 1683339335 SAIYWRBZQDQUTM-AREMUKBSSA-N 443.978 4.938 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)CC1 1684065577 FSWMONNTENOHKN-STZQEDGTSA-N 427.589 4.867 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(Cc1ccc(F)cc1)C(C)C 1689898086 RGUOIXJCKWFZSY-UHFFFAOYSA-N 444.558 4.874 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C(F)F)C1 1689920537 AZGPYHVEGDZYQR-SFHVURJKSA-N 432.515 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1690244865 ABJQOAQPLVOBTF-SYAJIYQZSA-N 434.650 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC(OC(C)C)CC1 1690247833 HBVYTSWQKUIYQL-RCZVLFRGSA-N 438.616 4.552 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690260464 LYOXGQUEXGEBSN-OALUTQOASA-N 446.039 4.889 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C2CC2)C1 1690304885 QDOHYLZPNMPRBX-OAHLLOKOSA-N 437.407 4.598 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCC2(OC)CCC2)CC1 1690384425 QRQNDZHGPXJATE-UHFFFAOYSA-N 428.602 4.695 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690419032 FOEARCPRDRGIKD-UXHICEINSA-N 438.620 4.952 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690476928 UMKZVRISAVSYQJ-LEWJYISDSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1nc(C)cs1 1690565307 GOAROIFUTKBEGI-RXVVDRJESA-N 437.613 4.933 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@H](SC)C(C)(C)C 1690607390 LNHVDDHSKSJJMA-FQEVSTJZSA-N 425.602 4.946 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCc2cccnc21 1690611596 RIUFKKDFPAZDMK-FQEVSTJZSA-N 437.975 4.752 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(F)(F)F 1690611796 ZRIRZPPXHHDCBS-OAHLLOKOSA-N 446.901 4.889 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC(c3cnn(CC)c3)CC2)nnc1C(C)(C)C 1690684757 NBYNLOOVVBBHIN-UHFFFAOYSA-N 448.615 4.789 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1CCN(CC)CC1 1705481811 NBDKWGOFNBUACD-RBUKOAKNSA-N 439.673 4.711 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1705512247 XCAQLXLNOQKSMQ-IBGZPJMESA-N 440.588 4.548 30 10 IJEE C#CCCCCn1c(N(C)C[C@H]2CC=CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705521583 GDUTWMDJWQXADS-PCCBWWKXSA-N 441.620 4.645 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H](C)c1ccco1 1705654488 KDLQXEIIHVZZKW-HNNXBMFYSA-N 445.386 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@H]1CCCC[C@H]1C 1705678503 DKBXXNVEXYWGTJ-YTMMVNBISA-N 442.648 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(C)CC1 1705703339 MQTKACJLJHNJJZ-PXNSSMCTSA-N 445.405 4.925 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2nccs2)CC1 1705763504 WXFCOVNKKAPGIM-KRWDZBQOSA-N 427.549 4.803 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1705809320 NRAIJHDRYPBFOX-NRFANRHFSA-N 426.492 4.523 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1705829931 GLCUPTYCPGRFKX-HSZRJFAPSA-N 440.588 4.505 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCc2nc(C(C)(C)C)cs2)C1 1705924857 GSWWWFJWLFNHFJ-GOSISDBHSA-N 429.634 4.714 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccccc2Cl)N(C)C)C1 1705925674 SKWNJYHZJDDRGG-UGKGYDQZSA-N 444.023 4.673 30 10 IJEE C=CCSCCn1c(N(C)C2CCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705949376 XLFCPXNMPHDATP-HDICACEKSA-N 449.665 4.737 30 10 IJEE Cc1nc(C)c(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1707738934 ADHLJMSERKIOAU-NRFANRHFSA-N 426.977 4.850 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1cn(CCCC)nc1C 1722475224 XVYLBGXZQNUDRM-HHHXNRCGSA-N 444.627 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@@H](COC)C1 1722495014 PIMSVNRYZIHYBT-NHTMILBNSA-N 438.616 4.742 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](CC)C1 1722530286 CRHBJWGQOLFPAI-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722590973 CYBWRRBQYLDQIP-LZCXECNNSA-N 438.616 4.552 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(C)C)CC1 1722621206 XGPMXTOJZKPFLK-UHFFFAOYSA-N 439.604 4.612 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCOCC 1722636074 XTICQCWNFXQYOI-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722644954 VPSHJMOAZRNOKU-CYFREDJKSA-N 443.661 4.712 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC2CCCCC2)CC1 1722681529 YSIBTSFUHNOREG-JOCHJYFZSA-N 437.632 4.923 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1722734510 ZSEWQMMMRKAFJA-PBHICJAKSA-N 439.398 4.729 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)CC[C@@H]1C 1740582494 OEPXEGUYHNISBC-CVEARBPZSA-N 431.378 4.754 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740667120 QLYDSCDBKXLNGH-KDURUIRLSA-N 428.024 4.815 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740674988 AFQSLLIIKMJQIS-IUKKYPGJSA-N 445.032 4.625 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)=C(C)C1 1740709654 QBHCJZCSLJRGGL-SFHVURJKSA-N 431.005 4.984 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cc(C)on1 1740757498 VULDQBPTWCSIAN-JXFKEZNVSA-N 427.936 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740761263 VLTZJNXGKLTOST-ZEYPLWLESA-N 445.007 4.689 30 10 IJEE C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1740780308 GSVQIJSFWZDSBV-GOSISDBHSA-N 430.325 4.826 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CCCS1 1740924738 BLRMRCNZKNBBAR-IBGZPJMESA-N 436.423 4.510 30 10 IJEE CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1741550867 BIBFWCOHZVDIBK-NRFANRHFSA-N 434.632 4.954 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1748416202 HAGCQNOVUPIAMK-LAUBAEHRSA-N 445.995 4.873 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1748702645 OPWOWMIHAPHCDO-KRWDZBQOSA-N 445.405 4.823 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1748743936 QARUHYHMABMOBY-GOSISDBHSA-N 435.597 4.770 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1748750864 QOXASNGNMZZCBM-WOJBJXKFSA-N 448.489 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)C(C)C 1749055011 CWBMIYPCIPGDFC-KAYWLYCHSA-N 445.611 4.752 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C)CC1 1749124908 RABASMOISUBRAQ-PWHSHALESA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(CC)CC(C)C 1749135316 DMQYLDMUZLTRFJ-ZJSXRUAMSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(c2ccccc2F)C1 1749163845 QLFCZPZMWXPDDV-FQEVSTJZSA-N 439.604 4.998 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1749294072 MKMMUVOVLNTZGV-OAQYLSRUSA-N 446.542 4.951 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCc2cccc(C)n2)CC1 1749312296 IHGLDVXZMTWSPB-UHFFFAOYSA-N 431.584 4.967 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(CSC)cc2)CC1 1749324734 ZNAZEMSXHLAHKY-UHFFFAOYSA-N 441.645 4.510 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749393401 TXNZXPPJCCSCPW-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C[C@@H]1C 1752387191 CIQBFRJQXIPDFR-IRXDYDNUSA-N 429.515 4.646 30 10 IJEE C#CCCCn1c(N2CCC(CN(C)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1760159821 QDTCOHSZTWUUAY-UHFFFAOYSA-N 433.644 4.718 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=C(C(C)(C)C)CC1 1760161673 MVMZDBUFSHCMPQ-FQEVSTJZSA-N 441.620 4.946 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C1CC(C(C)(C)C)C1 1760193974 ALNLQKIUSVBVJF-MWXLCCTBSA-N 434.584 4.887 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(C)ccc21 1760302924 UZQRSHDTLHGXHK-UHFFFAOYSA-N 430.737 4.905 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760309004 YOQZSQCTNOPKSU-OAHLLOKOSA-N 438.439 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1760328438 VRAVVIGLHLYBMB-QIJUGHKUSA-N 446.542 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1cccc(Br)c1 1760335588 OSAWHSUSIWLPLF-HKUYNNGSSA-N 431.378 4.536 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1760392213 INFMIDCIRGJGQX-QFIPXVFZSA-N 444.023 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1760400463 BOWHLRLDYAAESF-UHFFFAOYSA-N 431.437 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2ccnn2C)CC1 1760409013 WSNZQPGLLYJCQY-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1760414874 GXHQOQKSRBPOFY-PMACEKPBSA-N 430.666 4.852 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCC[C@@H](O)C1 1760490887 MLUOZRNPXVEXRZ-NLWGTHIKSA-N 426.630 4.861 30 10 IJEE CS[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1771399515 DKSVHJOIFRZXKO-PXNSSMCTSA-N 437.617 4.504 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCOCC1 1771538198 HEUSPRLWPFSRMY-UHFFFAOYSA-N 434.371 4.809 30 10 IJEE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4cccs4)n3)c2)C1 1772724393 WXLWNIPBDAYCCL-OAHLLOKOSA-N 446.623 4.738 30 10 IJEE CC[C@H](Oc1cccc(/C=C2\SC(=Nc3ccc(C)cc3O)N(CC)C2=O)c1)C(=O)O 1772762196 CFCOUKDOPOBQGN-JPHJDBMGSA-N 440.521 4.567 30 10 IJEE Cc1nc(SCC(=O)Nc2ccccc2C#N)nc(O)c1Cc1ccc(C(C)C)cc1 1858518244 KURLQILKRDWQQQ-UHFFFAOYSA-N 432.549 4.807 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 1860867490 PREKLUIKSYBLRL-UHFFFAOYSA-N 447.498 4.737 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862393657 AGLOMHLNNOFSDN-HXUWFJFHSA-N 448.346 4.907 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1c(F)cc(F)cc1F 1862459661 MKFCJFYEWMXIDT-LJQANCHMSA-N 446.381 4.533 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1c(F)cc(F)cc1F 1862459960 GIJGHWQHNVZFBK-LJQANCHMSA-N 446.381 4.533 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2c(F)cccc2Cl)ccc1F 1862505872 UECJPQCQLVONME-XOBRGWDASA-N 447.865 4.684 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc2c(c1)OCO2 1862627376 NYMNFCLJQIWSGK-JOCHJYFZSA-N 447.874 4.847 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 1862689239 LJYHAGOHRNGILZ-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862991932 NOASPFFODSXTBX-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1863174029 SVSHZZDXKBOLOP-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868378874 VILWVMREHUAASR-QHCPKHFHSA-N 442.542 4.603 30 10 IJEE CN(CCc1cnc[nH]1)c1cc(Nc2cccc(C#N)c2)nc(-c2ccccc2Cl)n1 1868404476 WVBBRNGKGILILE-UHFFFAOYSA-N 429.915 4.814 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)c2ccc3ccccc3c2)ccc1Br 1870147324 JONKXPBDTLTKKN-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871117034 AFTMOKFTOCXVGE-UHFFFAOYSA-N 441.616 4.983 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871369718 GETPJADGULYNFU-XKZIYDEJSA-N 445.427 4.812 30 10 IJEE O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCC(O)CC1 1871393685 DMTBZBQZODXNLQ-XYGWBWBKSA-N 427.500 4.632 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871433300 LLVWBVPHQISHLU-CTFRJJSNSA-N 430.884 4.612 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871460973 ORUNHADUVHYGSI-ODLFYWEKSA-N 444.325 4.621 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871780174 LUHLIXJZTGZULU-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)S(=O)(=O)CC 1871813237 HDKWCNCHAJVECR-LJQANCHMSA-N 440.487 4.613 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1)S(C)(=O)=O 1872148801 BCWCZYKFVSMRGZ-QHCPKHFHSA-N 435.549 4.558 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(F)cc1 1872498894 FIUYGLQXLBZQFU-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873594531 VQICRNBUORDGHB-SFTDATJTSA-N 445.611 4.852 30 10 IJEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(O)c(O)c1 1874196928 JKFNCTWVRSMIFX-PCLIKHOPSA-N 448.548 4.848 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874222935 KAHZDMMWCWIPAM-XQNSMLJCSA-N 439.541 4.755 30 10 IJEE Cc1ccc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SCCCO)cc1 1874228083 RDDFTIXXQZGEFB-KOEQRZSOSA-N 438.597 4.572 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(F)cc1F 1874241330 AOXXSVVPGIIENA-ZMOGYAJESA-N 430.480 4.694 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cc(Cl)ccc1O 1874261957 ATUZBSPYMVBEOU-AUEPDCJTSA-N 438.887 4.879 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccn2C)cc1 1874301562 FSWPAFJQRIJJIJ-WGOQTCKBSA-N 449.555 4.920 30 10 IJEE Cc1cccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2ccccc2C)c1 1874334298 LNEXKEAGERFMPK-RVWJGDDESA-N 447.608 4.794 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1 1874449594 GTRXPFWTYUKSGH-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cccc(Cl)c1 1874503397 FXJBREZHZOVHQY-YDZHTSKRSA-N 427.961 4.805 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1ccc(C)cc1 1874594795 DBHYINCRQYDUEB-WLRTZDKTSA-N 446.459 4.825 30 10 IJEE O=C(/C=C/c1cc(Br)c(OCCCO)c(Br)c1)c1ccccc1 1874614918 XCWIITIQRYHYID-BQYQJAHWSA-N 440.131 4.869 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)cc1C 1874695957 AWGDJYCBGOCVEH-XBXARRHUSA-N 446.455 4.856 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(F)cc1F 1875095054 WKNGGOOQKQTTCK-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE Cc1sc(Br)cc1C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1879730325 LRZLWJLHKXITKZ-SGTLLEGYSA-N 426.185 4.517 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3c(Cl)ccc4cc(Cl)cnc34)C2)c1 1890552220 SLNYBBSTDSHXJV-OAHLLOKOSA-N 441.318 4.739 30 10 IJEE Cc1ccc(Oc2cccc(C(=O)N3CCC(COc4ncccc4C#N)CC3)c2)cc1 1891524113 YGFRUBRKCMOOAC-UHFFFAOYSA-N 427.504 4.985 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](O)c1cc(Br)ccc1OCCC 1922051079 FKOSXFKYUFXZIN-YADHBBJMSA-N 434.374 4.632 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1(C)C 1987920959 MCQFZUJKALLEGQ-IBGZPJMESA-N 435.487 4.858 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1C#N 2010516954 OBQACLJHEILJOA-IBGZPJMESA-N 443.931 4.650 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC1CC2(C1)C[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C 2076346407 LABKBBHNAVFLGX-IFKGAMTLSA-N 449.636 4.758 30 10 IJEE CC[C@@H](c1ccc(OC)c(F)c1)n1nc(C(C)C)c(C=NO)c1I 2080106326 XCRXJSPDWMCUND-AWEZNQCLSA-N 445.276 4.566 30 10 IJEE CCCOc1ccc([C@@H](n2nc(C)c(C#N)c2I)C2(C)CC2)cc1 2080118758 ZHGZFPUBUVPGRM-QGZVFWFLSA-N 435.309 4.846 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124519141 GQPIKHUNYFNTCL-IRXDYDNUSA-N 442.365 4.506 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181134747 KAHCRHKFKIUUCL-SUMWQHHRSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1cc(Br)ccc1C#N 2226201911 OYCVNOSJSXSBFA-AWEZNQCLSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2ccc(C#N)cc2Br)(C(F)F)CC1 2227497639 LQSJETMQBSXLAC-UHFFFAOYSA-N 430.293 4.767 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)c1 2232282019 NTWDZSBQZSUWGR-INIZCTEOSA-N 439.365 4.710 30 10 IJEE CCCC1(C(=O)Nc2ccc(Br)cc2C#N)CC(NC(=O)OC(C)(C)C)C1 2233460550 LQJOLDAQGCIDCJ-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@@H](C)N1C(=O)OC(C)(C)C 2235735639 ZWCSVFMAQUTOAG-NSISKUIASA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@H](O)C#Cc2ccccc2Br)C1 2235744133 OHYBBKYKTSJPOY-LRXVAGHRSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1CC2(CCN2C(=O)OC(C)(C)C)C1 2235747056 NAUBTURXOIYFAT-IMYXXEESSA-N 433.390 4.568 30 10 IJEE O=C(C#Cc1cccc(Cl)c1)[C@H](O)c1scc(Br)c1Br 2239474706 XVNLEQUDDUNXJN-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE O=C(C#Cc1cccc(Cl)c1)[C@H](O)c1cc(Br)c(Br)s1 2239556478 JLZLAYQLLDEPPO-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@H](C(C)C)N(Cc2ccccc2)C1 2261819288 ICIPLSWNNDVMNT-VPUSJEBWSA-N 437.580 4.920 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c2ccccc21 2267111170 OBGYOIACLKCSHT-QAQDUYKDSA-N 442.365 4.647 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)cc2C1 2267118015 HWBXDSYIMSGRFP-MAEOIBBWSA-N 442.365 4.748 30 10 IJEE C=CCN(C[C@@H](O)c1cc(Br)cc(OC(F)(F)F)c1)C(=O)OC(C)(C)C 2272998163 DIQWDTMHIVBLGE-CQSZACIVSA-N 440.256 4.804 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2282676306 JQHGXTPIEOUIMW-OAQYLSRUSA-N 449.400 4.504 30 10 IJEE COC(=O)c1ccc(N=C2SC(=Cc3cc(Cl)c(O)c(Cl)c3)C(=O)N2C)cc1 2294619965 UGQSOSHHDWXVKT-UHFFFAOYSA-N 437.304 4.719 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccccc3)ccc2O1 2296114253 UBIABAWBMUVICY-OSPHWJPCSA-N 425.484 4.632 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C 2296268530 GANDOYDZUCBPKH-LNKGRISISA-N 435.406 4.670 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)C[C@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 2306524603 YCYDOFDWCAXDEO-NHCUHLMSSA-N 428.573 4.555 30 10 IJEE CC(C)(C)OC(=O)NCC1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2317354100 MOTXTQCTOUNPAI-SDNWHVSQSA-N 430.354 4.552 30 10 IJEE Cc1cc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2319674248 JKAKKISSOFYTKV-KRWDZBQOSA-N 430.354 4.650 30 10 IJEE OCCCSc1nncn1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2321318948 MRBOHMSGNFZYJR-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cn(CC(=O)O)c2ccccc12 2321779775 JLMRFKFSVGLQKQ-UHFFFAOYSA-N 447.564 4.753 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1 2322565290 VTDWBNIVPNRBGD-UHFFFAOYSA-N 445.515 4.685 30 10 IJEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324017940 OBERVGTZYURPSI-OKILXGFUSA-N 431.891 4.719 30 10 IJEE COc1ccc(C=C2Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c(OC)c1 2324055166 MKYLYRRJTDAGIF-IYBDPMFKSA-N 437.536 4.812 30 10 IJEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)C(=Cc1cn(C)c3ccccc13)O2 2325325456 PUVYCXWIGZJKMD-UHFFFAOYSA-N 444.531 4.931 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2325736212 RAWDOZGBILLDOE-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4C)ccc3C2=O)c1 2325737793 AFGAHXDLYCDSCL-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccnc1 2325808878 NYCRTBPOLIMWJH-UHFFFAOYSA-N 429.977 4.949 30 10 IJEE CCOc1cc(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SCC)ccc1O 2328786636 CXVBAIIBODJECS-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2N=Cc2ccccc2)c1 2329030527 GDMIDMIQLYYARL-OAQYLSRUSA-N 447.608 4.794 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)C=Cc3ccccc3)C2)c1 2329101167 YONOKRFJIQGBMN-DEOSSOPVSA-N 431.580 4.958 30 10 IJEE Cc1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2ccc(O)c(O)c2)cc1 2330317089 RPHFBTMFPLOWOM-UHFFFAOYSA-N 436.562 4.825 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330639885 QKJFLPWQXPVBMX-UHFFFAOYSA-N 428.397 4.503 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 2330798593 TZDLWIGYGOXMKP-UHFFFAOYSA-N 444.487 4.646 30 10 IJEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1[N+](=O)[O-] 2331886830 IPVSZOGJJUREDO-UHFFFAOYSA-N 443.452 4.612 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1 2337020404 PDMYFSKUWFHJOI-JOCHJYFZSA-N 435.421 4.544 30 10 IJEE CCc1csc(C#C[C@@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)n1 2338644650 NKOVXTVBOZMMQG-OAHLLOKOSA-N 436.375 4.867 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339544280 DIHOKSFYONDYFI-RBUKOAKNSA-N 443.397 4.974 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578247 DTRZANFOFZRUNQ-RIBQSRIRSA-N 444.381 4.751 30 10 IJEE CC1(C)OB(/C=C/c2ccc(NC3[C@H]4C[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2339580132 ABLBXQSXYOCFIZ-WYCPQIHASA-N 431.389 4.659 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587998 BHWLWEIKIRNMFX-WKWPXIAWSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339606858 WRMSPFPNXINQJY-ONRBKBMNSA-N 441.381 4.538 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2339703784 UEITVOINEFRYMM-DLBZAZTESA-N 427.383 4.886 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2365159938 ARECOZSCUSDIBY-JLMWRMLUSA-N 433.390 4.568 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(OC)c1)N2 14550306 JQTXPLHFMUZTDR-WRALFONMSA-N 436.577 4.884 30 10 IJEE CC[C@@H](Sc1ncnc2scc(-c3ccc(C)cc3)c12)C(=O)Nc1c(C#N)cnn1C 16893710 BGFNVOGIQQTJLO-QGZVFWFLSA-N 448.577 4.781 30 10 IJEE O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1c(Cl)cccc1Cl 21084516 ZZOLBOVHOMPAQA-UHFFFAOYSA-N 427.361 4.964 30 10 IJEE COc1ccccc1/C=C1/Oc2cc(OC(=O)c3c(OC)cccc3OC)ccc2C1=O 33858757 MOKWYDYNNPVBQX-LPYMAVHISA-N 432.428 4.548 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)c1 41656940 LWBCHWSKWCDTDL-CFRMEGHHSA-N 429.472 4.672 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1c(C)cc(Br)cc1OC 63320178 FTKIIMZOHGHLLL-UHFFFAOYSA-N 434.290 4.894 30 10 IJEE CC(C)c1ccc(-c2ncc(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)s2)cc1 97600675 AOQCUKUEVJWDTK-DEOSSOPVSA-N 430.533 4.772 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102521089 OGCGODNOQIMXPG-LAFOYAEKSA-N 438.480 4.534 30 10 IJEE COc1cc(/C=N\Nc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1C 169900007 NMUBHBUCLWGWSV-CFRMEGHHSA-N 431.452 4.813 30 10 IJEE COc1c(Br)cc(Br)cc1/C=N\n1c(SC)nnc1C(C)C 169915610 CRZPNAYRYWHIAQ-IDUWFGFVSA-N 448.184 4.539 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccccc1 170048576 RYHKQYKTRTUNEJ-VWLOTQADSA-N 427.500 4.793 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(OC)cc2)cc1C 170117120 ZDSGGFIEHDUYCI-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1OC(C)C 170150861 IXQLSZYRWZGGEJ-NRFANRHFSA-N 438.480 4.760 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)c1 170160496 ZKAZPNJOKWAJKZ-JOCHJYFZSA-N 447.512 4.870 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C 170163279 IJPRAJNNKHIAOZ-NRFANRHFSA-N 434.517 4.629 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)cc1 170198247 MXIDMKOFRWNTOH-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccncc2)cc1 170199679 GPSVLRZZWSOVCP-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)ccc1Cl 170230915 ZQDUCUYDCCRQEU-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 170234408 GFVVLFOZTLKHGX-QHCPKHFHSA-N 429.447 4.539 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 170237887 WPIKVYDCUCINRP-HSZRJFAPSA-N 437.511 4.708 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 170244805 GRGHRGMFHVPRTO-QHCPKHFHSA-N 437.536 4.742 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 170249766 JOWYZZFUGQQUMV-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)o1 170306830 UTPGKKBFCOXGPA-MGPUTAFESA-N 441.867 4.745 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(-n3ccnc3C)cc2)cc2oc(Br)cc21 223719510 KDHYVLYNPYSXGV-UHFFFAOYSA-N 425.286 4.929 30 10 IJEE CCN(CC)c1nc(NN=Cc2c(O)ccc3ccccc23)nc(Nc2ccccc2)n1 252602701 FJMMTTSCQBKPGC-UHFFFAOYSA-N 427.512 4.766 30 10 IJEE N#Cc1cc(CNc2ccc(I)cc2Br)ccc1F 311960806 OXLUKYXFFPOQCV-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Nc1ccc(C#N)cc1Cl 444871340 HCRKFMDYHAQCLZ-UHFFFAOYSA-N 428.920 4.870 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460937632 OJVMARRSEGQERA-KRWDZBQOSA-N 435.450 4.988 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1OC 492102591 ZXVYFBXBGONHQG-UHFFFAOYSA-N 425.529 4.567 30 10 IJEE C=CCN(C(=O)c1cccc(-n2nc(C)c(CC)c2C)c1)c1nc(C(=O)OCC)cs1 499618337 SKMGKKUISRYTAV-UHFFFAOYSA-N 438.553 4.518 30 10 IJEE CC(=O)N(Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)C(C)C 522582886 XXYXVPPGLACTBB-UHFFFAOYSA-N 428.492 4.755 30 10 IJEE N#Cc1ccccc1NC1=C(SCc2ccco2)C(=O)N(c2cc(F)ccc2F)C1=O 526669118 JWDJCYUBJNEDPY-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CN(Cc1ccccc1)C1=C(Sc2ccccc2)C(=O)N(c2ccc(C#N)cc2)C1=O 526680243 IXBVTBKUHGUEFM-UHFFFAOYSA-N 425.513 4.567 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Sc2ccccc2)=C(N2CCCc3ccccc32)C1=O 526682506 FUJJKJGTTUIHKF-UHFFFAOYSA-N 437.524 4.888 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(OC)c1 526803435 YPCJBGZSHLNANP-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 549020382 CKEIDHMHCIZHIH-UHFFFAOYSA-N 443.473 4.916 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](c2ccsc2)C1 563977706 NRRBLZVYJOFDBW-SFHVURJKSA-N 445.386 4.923 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@H]([C@H](C)C[C@H]4COC(=O)C4=C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O 575327265 MQPRYFLDQLKZSD-ZLAMPZTISA-N 426.597 4.883 30 10 IJEE C=CCN(Cc1cccc(C(=O)OC(C)C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586133336 UHYWWRUJHPNTLU-UHFFFAOYSA-N 442.364 4.936 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 669730894 WLQQHKFFLGFRMA-FICVDOATSA-N 436.396 4.769 30 10 IJEE C#CCOc1ccc(NC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 731112563 OUFODXDEPNFSFB-UHFFFAOYSA-N 431.458 4.504 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 741251049 IKACNDHHRJUJLI-UHFFFAOYSA-N 437.971 4.646 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=S)NC[C@@H]2CCOC2)=C(/O)c2ccc(C#N)cc2)cc1 762440871 USVKWFBKJDQZJZ-IBGZPJMESA-O 436.601 4.587 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CNC2(c3nc(C)cs3)CCC2)c1=S 764111404 CBWFHOWWGGEHST-UHFFFAOYSA-N 427.599 4.667 30 10 IJEE CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccc1 787032767 GFERIOVBDRFVOJ-OKYOBFRVSA-N 430.426 4.665 30 10 IJEE COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1C#N 863939502 AXUNMKJUPIIRII-ROUUACIJSA-N 428.488 4.657 30 10 IJEE CC/N=C1/S/C(=C\c2cc(OC)c(O[C@H](C)CC)cc2Br)C(=O)N1CC 1084397814 SPCNTZMSMDHTPL-GRTMDGQMSA-N 441.391 4.947 30 10 IJEE C[C@H]1CN(/C(=N/CCc2cccc(F)c2)Nc2cc(-c3ccccc3)ccc2O)C[C@@H](C)N1 1088736374 YCMCIWBCCGDNSN-BGYRXZFFSA-N 446.570 4.891 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br 1126167960 AZLVNLPQNSOWFN-UHFFFAOYSA-N 430.195 4.549 30 10 IJEE C#CCN(C(=O)CCOc1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1126228978 LZVRDYZNGWLEES-HXUWFJFHSA-N 428.326 4.512 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)CC)cc1)c1ccc(C(F)(F)F)cc1 1127410725 LMQGYTPUNVQGIJ-IBGZPJMESA-N 425.472 4.936 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccs1 1128965195 HLJUHVCVGQUZJB-FGZHOGPDSA-N 429.545 4.677 30 10 IJEE CSc1nc(O)c(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2(C)C)cc1C#N 1132620948 AFSYWLAZBATAMS-MRXNPFEDSA-N 435.471 4.808 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2c(C(C)C)nc3ccccn23)nnc1-c1ccco1 1134048951 BGQKAQGQXKNTSA-UHFFFAOYSA-N 436.541 4.616 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 1144404367 ZLJQRNLSAGFAPB-JKSUJKDBSA-N 426.344 4.924 30 10 IJEE C=CCn1c(S[C@@H](Cc2c(F)cccc2F)C(C)=O)nc2sc(C)c(C)c2c1=O 1188226115 PPDSRQNMPXMZFW-KRWDZBQOSA-N 434.533 4.831 30 10 IJEE CN(CCOc1ccc(C(F)(F)F)cc1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 1193392487 BXJRGSKCIIVTKF-UHFFFAOYSA-N 425.838 4.570 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCNC(=O)[C@H]3CC3CCCCC3)cc2)cc1 1199267305 GDMUMMYFTUJWBB-HSZRJFAPSA-N 432.524 4.653 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1 1201314960 WFKATNNRAJCLIH-UHFFFAOYSA-N 449.482 4.517 30 10 IJEE Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Nc2ccc(C#N)c(Br)c2)cc1 1217645801 GQYGRNOKCOXQPO-HXUWFJFHSA-N 442.357 4.885 30 10 IJEE C=CCONC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1228429514 RJEDJLNVNMXZPQ-QGZVFWFLSA-N 426.369 4.571 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1 1252969920 BFAYLGURGAKJLJ-OALUTQOASA-N 433.618 4.727 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H](C)SCc1nc(O)c2ccccc2n1)c1ccc(F)c(F)c1 1269600324 NNVHDZYKJRKTJK-RBZFPXEDSA-N 429.492 4.669 30 10 IJEE C=CCC1(NC(=O)c2cc(Cl)c(I)cc2OC)CCCCC1 1272725995 OEFUEOXWBRDBMI-UHFFFAOYSA-N 433.717 4.962 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(Cc1ccco1)C(C)C 1286503617 IODRKMGDXVJBPP-UHFFFAOYSA-N 433.581 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CCC)CCC1 1286574460 YFKVBYYDCGKGQV-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(OC(F)F)c1 1286578352 HPYBZYCLLTWSJO-GOSISDBHSA-N 436.503 4.580 30 10 IJEE C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1286585073 VAUFMEYCIQXNNJ-IAGOWNOFSA-N 441.567 4.839 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1286641196 UEVXMXLGNKJXON-IBGZPJMESA-N 427.499 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2C[C@H]1CO2 1286667906 NTADTESVQWOTEM-KBPBESRZSA-N 437.407 4.739 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCCC[C@H]2C1 1286682994 ZGBKOSZHNHNMMZ-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286706482 RCIYDPXJSJKLFT-FQEVSTJZSA-N 436.629 4.963 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCC 1286832743 NXEPSDUMULHSEW-UHFFFAOYSA-N 437.654 4.548 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)C1 1287523096 FMULBHLBRBJFCW-HXUWFJFHSA-N 435.597 4.905 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CC(C)C)C2)o1 1294041966 GJOVTLJXIIPKMB-FQEVSTJZSA-N 432.572 4.986 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1294989981 AWBWOWJKLJKXDI-CEMLEFRQSA-N 425.552 4.740 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCC(OC)CC1 1300324683 KEQBYZZOOCZRBH-LRYGQEGESA-N 433.021 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(OC)C1CC1 1300563919 PNNYKUBGMOIXOD-VWLOTQADSA-N 436.625 4.554 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC(OC(C)(C)C)CC1 1300980267 HKOMVPZYJSPDSC-UHFFFAOYSA-N 449.599 4.870 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 1301262819 ZSVHECSHNMSVQT-RCCFBDPRSA-N 444.542 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@H](C1CCCCC1)N(C)C 1301339139 HSVHIZORFGSICF-XMMPIXPASA-N 432.616 4.730 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCC2CC(OC(C)(C)C)C2)C1 1301554127 YCGKFLSMRJARTI-GPJFCIFZSA-N 442.579 4.849 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cnc(C)s1 1301601825 JKVYZTQGHBVRMV-UHFFFAOYSA-N 436.610 4.814 30 10 IJEE CC(F)(F)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1303787558 AFOBIDOIEWAMDK-UHFFFAOYSA-N 444.313 4.949 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCCC1 1304885757 ATGQSHAOZZRTSS-UHFFFAOYSA-N 434.544 4.550 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 1307153160 IBHQDMIMXAWZPU-UHFFFAOYSA-N 436.865 4.674 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2c3ccccc3C[C@H]2C)C(C)C)nc2ccccc2c1=O 1307256008 RKFKWUWYKDFPSG-VGOFRKELSA-N 433.577 4.677 30 10 IJEE CC[C@@](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)(C(=O)OC)c1ccccc1 1310292526 HDIBKPIZVCILNH-HXOBKFHXSA-N 425.554 4.581 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Sc2ccccc2)c(C(=O)OCC)c1 1310473263 YKZMZMSGXMZNGP-JXFKEZNVSA-N 426.538 4.727 30 10 IJEE C#C[C@H](NC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1)c1ccc(Cl)cc1 1312939187 DRBNFUNQEJUREH-SFHVURJKSA-N 443.334 4.938 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)c(OC)c1 1349159334 XBDACRJJVIAZLR-GOSISDBHSA-N 443.565 4.514 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(OCC)cc4)c(C)s3)cc2C1=O 1349234744 LQUGCYTYGAJCGV-UHFFFAOYSA-N 447.516 4.552 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)c2cccc(Cl)c2)c(C(=O)OCC)c1C 1352793136 JREWHXXTBJFMAB-LBPRGKRZSA-N 435.929 4.972 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1359051568 BIJLNFDTLGGDID-UHFFFAOYSA-N 434.487 4.868 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C)C1 1359078435 CAXWFMJCWYIYDK-LBPRGKRZSA-N 427.293 4.691 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(F)(F)F 1359093483 OGMOZOOMUKYCPM-GDBMZVCRSA-N 446.420 4.526 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CCC1 1359129922 RRKSOBJHJAQBNW-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359161571 IWINLHQUZFOBRO-SZPZYZBQSA-N 432.616 4.731 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1359168368 RETFDHIJMFQJFX-GCJKJVERSA-N 428.964 4.648 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC2(O)CCC2)CC1 1359168700 FQTZNIQXVOBQLJ-UHFFFAOYSA-N 437.371 4.625 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1359202035 HRHOIZPZKLYQKZ-PMACEKPBSA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1359202219 NCBIFNYEBCYZBO-OALUTQOASA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1359220025 LUDAHTDGXRYRCG-UWJYYQICSA-N 442.560 4.990 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1359234422 OLIMUDGHBWYEJS-PKOBYXMFSA-N 433.394 4.781 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1ncc(CC)s1)C1CC1 1359247038 QRESPHUNRYNRIY-UHFFFAOYSA-N 444.402 4.930 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(CC)s2)C1 1359323118 IPXSTKNESIOUQG-IBGZPJMESA-N 443.016 4.976 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C)C(C)(C)C1 1359346378 JYGMSAXJWXGPSZ-SFHVURJKSA-N 430.618 4.657 30 10 IJEE C=CCCC1(CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)CCCC1 1437628362 POFYJSYGRIZQPA-UHFFFAOYSA-N 427.595 4.829 30 10 IJEE CC(C)(CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)N1CCc2ccccc2C1 1442331276 HUMPTLQSCBLWTD-UHFFFAOYSA-N 439.559 4.704 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1 1451475735 BFHWHQFKDXLENY-OAQYLSRUSA-N 429.476 4.509 30 10 IJEE C=CCn1c(SCc2ccn(-c3cccc(F)c3)n2)nc2sc(C)c(C)c2c1=O 1458824325 NLMQSYMBQCYAGZ-UHFFFAOYSA-N 426.542 4.878 30 10 IJEE C=CCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(C(C)C)cc1 1458836842 WPWDSOBSZLWBMF-UHFFFAOYSA-N 434.565 4.767 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1462589682 HTNHNALBQZYWOW-HXUWFJFHSA-N 446.897 4.774 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc2c(c1)CCN2C(C)=O 1466816209 ANDWKORMEKQEJD-UHFFFAOYSA-N 430.302 4.567 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)OC(C)(C)C)c2Cl)cc1 1467100959 NHNSFUZCZWNRSM-UHFFFAOYSA-N 432.879 4.768 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 1468147509 HTIWSOFNLWUMSC-FYYLOGMGSA-N 429.545 4.896 30 10 IJEE CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1474985057 GWKIYEBLJZIRPM-YJYMSZOUSA-N 434.970 4.789 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1477661190 KOSMKFWADWWZAU-QRWLVFNGSA-N 446.776 4.603 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1)c1ccc(Cl)cc1F 1478900799 OGJRMFZIQVGYEU-RTWAWAEBSA-N 426.875 4.692 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@](C)(CC)C1 1507559198 YMBBCVFYWHVLOU-HOYKHHGWSA-N 426.630 4.940 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)Oc1ccc(F)cc1 1507606842 ZBRNOSDUOKBNGF-QGZVFWFLSA-N 438.572 4.952 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCN1CCCC 1507680836 JJPYUFJHGWALDV-QFIPXVFZSA-N 444.627 4.916 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCS1 1507695457 ZFNCWDJRUJEFML-NRFANRHFSA-N 426.630 4.900 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1507756606 WUEXYILSHAGZAS-CVDCTZTESA-N 438.641 4.973 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)c1cccs1 1507819510 QTMVUSGKCWYGGY-JOCHJYFZSA-N 448.539 4.918 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507838119 ZYEBDWWEKLVFRA-BWTSREIZSA-N 431.378 4.535 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCC(C)(C)C)CC1 1507925964 LYZHVHZBQIORQW-UHFFFAOYSA-N 431.028 4.908 30 10 IJEE C=CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1507941828 NDWCBICPSKUGSP-XMMPIXPASA-N 425.552 4.953 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508050756 KGDSJMLFLAZMCH-RUZDIDTESA-N 436.556 4.945 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1csc(Br)c1 1508065636 PKNXWVUDGJHKGL-UHFFFAOYSA-N 433.375 4.812 30 10 IJEE Cc1cc(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(CC#N)CC2)on1 1511954739 HOHWYJJMJVYYKV-IBGZPJMESA-N 434.544 4.510 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)CC1(C)C 1512329886 AMGHKUCSXWZRSD-UUOWRZLLSA-N 439.629 4.887 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)CCS1 1513599791 GJVRWQCTEOXCHJ-UHFFFAOYSA-N 431.556 4.974 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 1516459268 SHOMBCBPWHZEMX-NRFANRHFSA-N 425.550 4.796 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)c1 1520376911 BMTNUGYKZBMUOU-IBGZPJMESA-N 432.520 4.845 30 10 IJEE C=CCC1(CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC1 1521316938 XOKVUXMVIPPSAB-UHFFFAOYSA-N 433.390 4.554 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C 1525909479 SEFGSPSCMJSFPI-UHFFFAOYSA-N 432.524 4.806 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2Br)c1 1527975530 VMDLVCJCNSAKMZ-UHFFFAOYSA-N 425.238 4.779 30 10 IJEE COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc(C#N)c1Br 1529123375 BLPNKZZRSIHOHK-UHFFFAOYSA-N 444.510 4.998 30 10 IJEE Cc1ccc(C(=O)Nc2ccc(Br)c(C#N)n2)cc1NC(=O)OC(C)(C)C 1529520207 CQWZAGKGMDEZSI-UHFFFAOYSA-N 431.290 4.624 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 1530877915 YAHLPKKBZMKZOH-YVWKXTFCSA-N 444.984 4.640 30 10 IJEE C#CCOc1ccc(CNC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1 1533420228 SSHZPNNPBUIILM-MRXNPFEDSA-N 440.952 4.945 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(Br)cc1 1535483554 MZUZQEHDCHIALI-LJQANCHMSA-N 443.341 4.669 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1cccc(C)c1 1539347499 VVWWMMQCUCMDEZ-INIZCTEOSA-N 426.362 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCOc1cccc(C(F)(F)F)n1 1539351434 ATESQHGGRSVEHL-UHFFFAOYSA-N 449.864 4.551 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCOCCC(C)C 1539551812 AAQUFRYCZGENSS-AREMUKBSSA-N 446.599 4.576 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1c(Br)ccc(OCC)c1F)c1ccccc1 1539645698 KWSOFKAYALYLCL-VWLOTQADSA-N 426.307 4.840 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(OC(F)F)c1 1539824322 QSIBWTQGGKQYHN-AWEZNQCLSA-N 442.804 4.819 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1539888221 NWKADAWPVZMPAH-CTNGQTDRSA-N 428.552 4.571 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3nc(O)c4ccccc4c3C)c2)c1 1539920895 JDBYZUKHMANLGF-UHFFFAOYSA-N 436.467 4.688 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1C[C@H]1C 1540127050 NTLLNTPVPUFILC-RLLPEYFOSA-N 433.600 4.917 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H](C)c1nccs1 1540137905 WQFKBRLJGWNMLK-SFHVURJKSA-N 448.571 4.856 30 10 IJEE CC#CCN(C)C(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1556824637 NMTCDWNDULJEPB-UHFFFAOYSA-N 438.527 4.821 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(C)c(Br)cc1C)c1ccc(Cl)cc1F 1561556394 QXXWMPDDUYPNSS-INIZCTEOSA-N 430.726 4.511 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 1587164210 HHRGOVZOYKEKCB-KRWDZBQOSA-N 444.329 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCCS1 1589185619 DRUOMUMMQKQAAS-YADARESESA-N 440.613 4.630 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1589421300 HUKJRVGIZWHJIV-HNAYVOBHSA-N 433.394 4.981 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC1CCC1)CC1CC1 1593799833 FLJQVEXGNXJEBY-UHFFFAOYSA-N 427.980 4.916 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1594438622 WLQHJDXPUPPGIB-NTKDMRAZSA-N 426.630 4.832 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1594545938 WGQWGTDQHGBCDV-OAQYLSRUSA-N 430.556 4.885 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)c1ccc(C)cc1 1594627701 WRWOEMYJCFKQBZ-UHFFFAOYSA-N 431.588 4.885 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1595243876 JCOOHADFQJUYHN-UHFFFAOYSA-N 445.567 4.730 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1595659218 VOFXIQNRBPXXPX-NZQKXSOJSA-N 431.584 4.892 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1611647545 FQGGCGCSGVGDIK-KRWDZBQOSA-N 448.537 4.572 30 10 IJEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCSc1ccccc1 1613261670 SEPBXOBKKQNCIY-QGZVFWFLSA-N 448.596 4.509 30 10 IJEE CCCc1nc(C)c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)o1 1614430056 CXSZMPDFFLFEED-DOTOQJQBSA-N 440.523 4.593 30 10 IJEE O=C1CS/C(=N/N=C2\Oc3ccccc3[CH][C@@H]2c2ccccc2)N1Cc1ccccc1 1614732980 LUPRBALIQZTAQH-WEKIHQLOSA-N 426.521 4.860 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC2CCCC2)cc1 1620350107 CHBVJQCHGALQQY-LJQANCHMSA-N 433.478 4.555 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 1620838050 BXMLGOXPHZNFSE-UHFFFAOYSA-N 432.536 4.984 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@H](CO)Cc2ccc(C)c(Br)c2)c1 1623033544 DXVJRGFJPVFVHN-GOSISDBHSA-N 447.373 4.685 30 10 IJEE C=C1CCC(C(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccco2)CC1 1623998205 QPGABBMMWLMWMR-UHFFFAOYSA-N 431.330 4.756 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(OC(C)(C)C)nc1 1625538446 HSSSBZRMUDKVBO-UHFFFAOYSA-N 434.334 4.908 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1630611955 ICASEGAETIBELZ-GOSISDBHSA-N 449.389 4.926 30 10 IJEE C=CCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1633408346 MSDMAJLMRGCBHE-RUZDIDTESA-N 426.516 4.911 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCOc2ccc(Br)cc2C1)c1ccc(F)c(F)c1 1634435397 MSTQFEHRQFEVIK-IBGZPJMESA-N 437.284 4.949 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 1636562230 IYYZUQHHPCDZBG-QRVBRYPASA-N 433.733 4.606 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1)C(=O)OCC 1636837525 DIWKCBCVYOBHPL-CQSZACIVSA-N 445.566 4.738 30 10 IJEE C#CCN(Cc1noc(-c2ccccc2C)n1)[C@@H]1CCOc2ccc(Br)cc21 1641795914 RPMOQVBNUWBMHX-LJQANCHMSA-N 438.325 4.767 30 10 IJEE CC[C@@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccccc1 1642509596 GGOKQOOKECMKPA-AREMUKBSSA-N 430.552 4.828 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@]3(CO)CC(C)C)c2C#N)C1 1642956054 GHEIMUQMSPKBOB-IQGLISFBSA-N 445.673 4.972 30 10 IJEE C=CCn1c(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc2sc(C)c(C)c2c1=O 1651629539 SXEVOPOAAQQUGU-OAHLLOKOSA-N 435.615 4.610 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2Cl)nnc1-c1ccc(C)cc1 1652741513 LSEJDPYQFHRYPS-INIZCTEOSA-N 426.973 4.890 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 1659979686 FXJSCNYHDJDEEQ-UHFFFAOYSA-N 446.937 4.995 30 10 IJEE CCCc1c(NC(=O)N[C@H]2CCCOc3cc(F)ccc32)cnn1-c1cccc(C#N)c1 1660854080 DVZPZWKVKQVZMH-FQEVSTJZSA-N 433.487 4.871 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)cc1 1667322121 OTAVIRDYSMAPPP-SYYKKAFVSA-N 441.597 4.587 30 10 IJEE CCOC(=O)C(CC)(CC)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1668709257 GUFGMZBMSHWEIK-UHFFFAOYSA-N 441.503 4.767 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC(=O)NC[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 1670826337 CUXGLFQHBNYHKV-WOJBJXKFSA-N 431.458 4.595 30 10 IJEE C[C@H](C#N)CNC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1671539571 GLPJCTBSTSJNFL-FZKQIMNGSA-N 437.396 4.613 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 1672210174 QQPFIXOTIOHVDI-ZDUSSCGKSA-N 447.329 4.668 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)NCC3CCN(Cc4ccncc4)CC3)cc2)c1 1674452142 FGFZCGBWOGPLKZ-UHFFFAOYSA-N 441.535 4.779 30 10 IJEE C#CCOc1cccc(NC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)c1 1674519308 XTPDIAKFRFYFON-UHFFFAOYSA-N 433.733 4.968 30 10 IJEE CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1678153933 BBPDTWLLZFNSGA-FGZHOGPDSA-N 448.615 4.632 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)CC1 1679972919 BRGBGKVOTBHGDV-UHFFFAOYSA-N 442.494 4.673 30 10 IJEE C=CCC(C)(C)CNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 1682856739 HJRBSPJBRXFHCX-UHFFFAOYSA-N 427.358 4.581 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 1683814073 KMKKKJBNBWPPNI-GCJKJVERSA-N 442.604 4.911 30 10 IJEE C#C[C@H](NC(=O)NCCCCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1686861089 POVPNBNINBROKK-SFHVURJKSA-N 425.932 4.538 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Br)cc1F)c1ccc(Br)cc1 1686922011 XVOIXEKVDIMRQU-INIZCTEOSA-N 440.110 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[C@H](OCC)C1CCCC1 1689861029 MSLUGYKABVODBX-YKSBVNFPSA-N 433.600 4.724 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCSC[C@@H]1C 1689878718 SFJUDSSDSNAPFP-AWEZNQCLSA-N 437.382 4.592 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](CN2CCCCC2)C1 1689881565 UTESZZDRSCTJHO-LJQANCHMSA-N 443.998 4.853 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1csc(CC)n1 1689895291 OMSVKGSYITXKGN-UHFFFAOYSA-N 429.540 4.606 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C)nc1 1690059538 RSEDDXHRBNUTRJ-IBGZPJMESA-N 437.975 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOC(C)(C)C 1690196225 CCALICIOZJPICD-BXKMTCNYSA-N 426.630 4.939 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCc2ccccc2F)CC1 1690365887 JWTARBJCOYDVMK-UHFFFAOYSA-N 444.352 4.964 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC)CC1)c1ccccc1 1690447727 VXGSGCUMCIILPM-SGNDLWITSA-N 438.616 4.988 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)c1ccco1 1690515898 WPDWGWFLSJFJKQ-HXOBKFHXSA-N 444.963 4.811 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CCN(C2CC2)CC1 1690532472 OFGSOMHTBSREHI-UHFFFAOYSA-N 437.632 4.786 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1cccc(C(=O)NCC)c1 1690578374 VWEMQYMSICMKQV-UHFFFAOYSA-N 449.624 4.988 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1690634672 MGVPXOXSQPASLG-SFHVURJKSA-N 431.987 4.872 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(F)c1 1690752712 OXSLURQMLASXMY-WOJBJXKFSA-N 432.609 4.891 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1705577908 YCAPGIGENLDMJW-WNCULLNHSA-N 430.596 4.521 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C)cc1 1705623324 NSQULAJEWBUPOF-UHFFFAOYSA-N 434.609 4.718 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]2CCC[C@@H]21 1705656452 YBSLPGMTLUOBOK-APWZRJJASA-N 431.005 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@@H](C)Oc1cccc(Cl)c1 1705708179 YUIXCPQHNFDFQV-GUXCAODWSA-N 442.951 4.530 30 10 IJEE C=CCCCCn1c(N2CCC[C@H]2c2ccc(C)o2)nnc1[C@@]1(OC(C)C)CCOC1 1705810258 SJJMSCUDCPUQQG-GBXCKJPGSA-N 428.577 4.918 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1705815365 UDNBYMAGULVCEN-WOJBJXKFSA-N 440.588 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCC(C(F)(F)F)CC2)C1 1705922004 DFTOFRHYPDSFHM-CTWPCTMYSA-N 449.521 4.799 30 10 IJEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C(C)C 1707930795 CTNGDQKASKNDOX-UHFFFAOYSA-N 430.512 4.672 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCSCc1ccc(C)cc1 1722407419 LABRCBCGCUAXER-UHFFFAOYSA-N 425.989 4.695 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(C)C)C1 1722452375 TXLZWGLYIMZSJI-OALUTQOASA-N 430.593 4.796 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1722591503 NQVVJPJDYUFPSK-FGZHOGPDSA-N 426.605 4.990 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1722593893 CBSJJDYWUURSNY-RBUKOAKNSA-N 449.521 4.555 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722613443 XRRZSIHULCKFHW-GJZGRUSLSA-N 437.407 4.598 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(C)(C)C)C1 1722622653 QGSRNTBZIQZPLA-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1722624782 GKUAXOHUXPSERY-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OC)nc1 1722668434 QJAMQBKHBUUQNE-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE CC(C)c1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)cs1 1722866581 BOADGJJORBJQMW-INIZCTEOSA-N 443.020 4.941 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1)OC 1726853920 ICDPYSKVGSVAGX-QRJOEMBSSA-N 448.571 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)Nc1ccccc1 1740539070 MWMBGWTYPWCTSG-ROUUACIJSA-N 447.608 4.618 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CCCO)CC1 1740566612 WOVNBCXNWBSERQ-LJQANCHMSA-N 440.657 4.924 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1Cc1ccc(Cl)s1 1740659272 SOCMOYZAUBHHDR-UHFFFAOYSA-N 438.984 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCCCc1nc(C)cs1 1740728733 LGXNWGVGCGDEMD-XMMPIXPASA-N 435.597 4.734 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1740743657 AYKVEVRDOKLAMC-MOPGFXCFSA-N 447.377 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]1CSC 1740753590 LRFNPZXVESUCIT-RLLQIKCJSA-N 433.021 4.912 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@H](SC)C1 1740882235 FOAKPRGWYUSJLQ-FQEVSTJZSA-N 437.613 4.808 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1740905954 AXPWDPQTTAAUTL-KRWDZBQOSA-N 429.012 4.659 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1cccs1)N(C)C)C1CC1 1740913409 MJSOWCIFNQSENG-SFHLNBCPSA-N 443.661 4.716 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@@H](C)CC#N)n1 1742517255 CAJBHFOZHQDDHQ-WBVHZDCISA-N 447.568 4.907 30 10 IJEE CCc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)s1 1744359767 HJXQQIWKPKNAIF-JKSUJKDBSA-N 427.549 4.825 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1746077180 DEWAUTQZCLOYNN-OZXSUGGESA-N 443.599 4.553 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1748724533 DKWRLCJDUSAPBO-QHCPKHFHSA-N 430.600 4.504 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](SC)C(C)(C)C 1748868456 XJYUJXJLMCLDTK-WIYYLYMNSA-N 442.604 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCc1csc2ccccc12 1748896530 DZUAQBXKZMDPSB-UHFFFAOYSA-N 445.617 4.554 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N(C)Cc1cc(Cl)ccn1 1749105678 LRWVSLDRFVEOFM-UHFFFAOYSA-N 446.780 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1cccc(Cl)c1 1749163539 MVFMZVVSVHIROE-JOCHJYFZSA-N 431.005 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@](C)(OC)C1CC1 1749170448 HFTYUSOUIAMRSV-CYFREDJKSA-N 447.624 4.568 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2cc(C)cc(C)c2)CC1 1749345297 BQCIEJPRVFZFJZ-UHFFFAOYSA-N 437.613 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1749368571 MPFFIOQTVAMIOT-UHFFFAOYSA-N 438.620 4.869 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CCCCC1 1749383930 LNRJHPNHOVVWAO-UHFFFAOYSA-N 431.669 4.793 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1749386401 DUDNVNXTYITESB-PZJWPPBQSA-N 425.577 4.507 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(COC)CC1 1749417438 GYOYQNBIPNMMBX-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1C1CC1 1749540868 DCGXOOFVWJWMMW-OAQYLSRUSA-N 425.596 4.924 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC[C@@H](OC)C(F)(F)F 1749541290 LKFRLIBAJQXBOZ-LJQANCHMSA-N 449.452 4.639 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1N(C)CCCC1(C)C 1749578952 JWVZGARIDPDOTD-HSZRJFAPSA-N 437.632 4.773 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1[C@@H]1C[C@H]1C(C)C 1749594971 WFYHKKSHBIOBQF-FUHWJXTLSA-N 449.393 4.572 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760131247 QHGZCJSJYMEHEP-RTBURBONSA-N 429.559 4.757 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCCCC2)C1 1760143685 OKBKRVOJRJPRTN-NHCUHLMSSA-N 428.621 4.540 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1760151684 KRCIYVNIOCRBFP-MRXNPFEDSA-N 446.502 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)C[C@@H]1CC=CCC1 1760324866 NQVFFKYNJXYKTG-NMMYMHLASA-N 440.563 4.770 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1760335646 PELYURRRHLZADI-PGRDOPGGSA-N 426.561 4.702 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@](C)(O)c2ccsc2)CC1 1760382538 SHFWLKPYRCQSAS-GAJHUEQPSA-N 442.560 4.683 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760424307 CQVICIUBBRNURX-UHFFFAOYSA-N 434.441 4.676 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1760434158 ZMAVHHJFEOKOCA-DYESRHJHSA-N 426.492 4.694 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(OC)CCCCC1)C1CC1 1760469866 HYNIDQSLUZOUPS-UHFFFAOYSA-N 437.588 4.651 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1760499482 ZNPHZAAWFDCICV-LJQANCHMSA-N 439.604 4.646 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CC[C@H](C)N1CCCCC1 1761531939 GLQNRABUFZNIQA-AABGKKOBSA-N 442.583 4.560 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC=CO1 1761605584 AQSDEBZCLIBUAN-APWZRJJASA-N 434.569 4.808 30 10 IJEE CS[C@@H](C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N 1770409330 HFZYFPRCERLEAV-CABCVRRESA-N 426.615 4.724 30 10 IJEE N#CCC1CCN(c2nnc(CCCc3ccccc3)n2CCC[C@H]2CCCCO2)CC1 1770754428 FVTSKAOUYPQFKT-XMMPIXPASA-N 435.616 4.933 30 10 IJEE COc1ccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)cc2/C=N\NC(N)=S)cc1 1857806799 LPKAIDPKDBHUNQ-YSMPRRRNSA-N 443.532 4.507 30 10 IJEE CCN(CC)c1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)c(C)c1 1858437642 IOCCZSSMPOHJQO-UHFFFAOYSA-N 435.553 4.652 30 10 IJEE CCOc1ccc(CCNC(=S)N/N=C/c2cccc(Cl)c2Cl)cc1OCC 1860498505 AQXACRTUDAUYMB-ZMOGYAJESA-N 440.396 4.832 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861190982 WCOIRABDOZUCEZ-VWNXMTODSA-N 445.623 4.505 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379858 MLTWLABUEBHZQP-IBGZPJMESA-N 442.302 4.538 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCC)c(OCC)c1 1862423163 WIKZIMJAQBBDFB-OAQYLSRUSA-N 443.446 4.527 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(=O)OC)cc1 1862435486 XFBAEECYPARMJE-ORAYPTAESA-N 427.884 4.503 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1Cl 1862444291 VVOHRHFJFZGEQT-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862503930 IPZQPLXUCZJQQH-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)cc2Cl)cc1 1862537871 ANLWPLUAGVDLOP-BUXKBTBVSA-N 434.319 4.515 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862562801 OGDNWIJVPPDNOV-LJQANCHMSA-N 443.286 4.947 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(F)cccc1Cl 1862719266 JULVJNIIAZADDU-YEJXKQKISA-N 439.870 4.591 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OCCCC)cc1 1862759911 ATAIGDSMTUOLIL-NRFANRHFSA-N 436.464 4.538 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2c[nH]c3ccccc23)C1=O 1863136200 BFLUIWWSDSBEFJ-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1863306129 RGIHHUOTVHGEED-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCc1ccc2[nH]cc(C(=O)Nc3ccc(C#N)cc3C(=O)c3cccc(C)c3)c(=O)c2c1 1866417177 SLZAIHRMHPKVSS-UHFFFAOYSA-N 435.483 4.754 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3F)CC2)nc(Cc2ccccc2)n1 1867945172 DPDGYYSLZIBDDG-UHFFFAOYSA-N 443.570 4.712 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](c1ccc(C)cc1)C(C)C 1868844302 VIARYMNRWPWUPP-JWQCQUIFSA-N 436.571 4.802 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1 1868962193 OABLWFKRNZTEQF-GHTZIAJQSA-N 440.971 4.576 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871591197 PFZMWKHLKNGQAW-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1871855626 GIXQXWFOLMERJV-MBSDFSHPSA-N 442.581 4.812 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872092064 TZGDJJKCEDEWHE-JOCHJYFZSA-N 428.598 4.768 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872295549 SGYBNNVQXDZRKT-REWPJTCUSA-N 449.661 4.504 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872425256 QJFQHTIAYBJYNK-GOSISDBHSA-N 434.989 4.778 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872500270 VXUWWJYJMXWECM-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2cccc(OC)c2)C1=O 1873041923 YTJUZBCOGIWJAP-QFIPXVFZSA-N 442.600 4.684 30 10 IJEE OCCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(F)cc1 1874234141 TYIQYYHEQGZNBW-YZSQISJMSA-N 434.540 4.712 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874489097 ZNVSZCHKYMVXSU-YDZHTSKRSA-N 427.961 4.743 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)c(OC)c1 1874495358 HIFLYBKVSIJDDX-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE CCCOc1c(Br)cc(/C=N/n2c(CC)nnc2SCCC)cc1OC 1874525710 BVUYLIDQZFWSEZ-UDWIEESQSA-N 441.395 4.785 30 10 IJEE CCCc1ccc(OCc2nnc(S)n2/N=C/c2cc(Cl)c(OC)c(OC)c2)cc1 1874566577 CXAJQKUAUCWPDE-FSJBWODESA-N 446.960 4.651 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cc(Cl)cc(OC)c1OCCCO 1874589491 OMRNDPABGKIGDJ-AATRIKPKSA-N 425.308 4.976 30 10 IJEE CCCNC(=O)COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC 1874601112 UYWFMIKJFXGQFJ-FMIVXFBMSA-N 433.504 4.658 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1OC 1874694014 ICOSWWXYKZUWDU-PKNBQFBNSA-N 433.416 4.727 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)CCOc1ccccc1 1874698870 RDOOKYLGXZQDBF-WYMLVPIESA-N 432.472 4.974 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(COc3cccc(C)c3C)nnc2s1 1874780896 FPQIOYLLKIDGTF-UHFFFAOYSA-N 443.617 4.791 30 10 IJEE C=C(COCc1ccccc1)[C@H](CCOC1CCN(C(=O)OC(C)(C)C)CC1)NCC 1922103890 OPSQBTIGAXQGBC-QHCPKHFHSA-N 432.605 4.544 30 10 IJEE C=CCN(C[C@@H](N)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1930729094 PVZPXFLWNYQPMK-CYBMUJFWSA-N 434.172 4.635 30 10 IJEE CCc1cccc(NC(=O)CN2C(=O)CSC2=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2040430778 QGUVAJBTLUJLIH-UHFFFAOYSA-N 436.577 4.785 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C#N)(c1ccccc1)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2076789701 CIWXCABJTNWGOG-QFIPXVFZSA-N 444.536 4.868 30 10 IJEE CCOP(=O)(OCC)c1cn(Cc2ccc(F)c(C(F)(F)F)c2)nc1C(F)(F)F 2080390030 NOJDEPHBAXWKQK-UHFFFAOYSA-N 448.275 5.000 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CNc1cc(Br)c(C#N)cc1F 2105998470 PKXTUGVPQVEBBT-LRDDRELGSA-N 426.330 4.955 30 10 IJEE C#CCN(C[C@H](Cc1ccc(Cl)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2110504153 PTPZKHRPGOITGB-INIZCTEOSA-N 443.813 4.884 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CN(c2cccc(Br)c2C#N)C2CC2)C1 2174812406 KQZMNDFCTHHPNT-OAHLLOKOSA-N 434.378 4.937 30 10 IJEE C[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cccc(Br)c1 2180912888 SYRLXPADEVXUGK-WMLDXEAASA-N 438.366 4.604 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CC1(C)C 2180992612 CAHHMRXABMBXAZ-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](COc2cc(Br)cnc2C#N)C2(CCCC2)C1 2198815423 LXXMQLCWFIOICW-AWEZNQCLSA-N 436.350 4.522 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CCNc2cc(Br)c(C#N)cc2F)C1 2205241717 NMTHKQKAJJNCJR-VBKZILBWSA-N 438.341 4.909 30 10 IJEE CCc1ccc(C#C[C@H](O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2231185906 LTNKGVIVNYQJOE-VWLOTQADSA-N 448.607 4.521 30 10 IJEE Cc1ccc(CN2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2234725971 XXAPQFGBOIHKSL-PLQXJYEYSA-N 446.444 4.533 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2235729168 MPKSPTXLOBSEPK-RTBURBONSA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C(F)(F)CCNC(=O)OC(C)(C)C 2235749784 NRQIYBGQGYKIEQ-KRWDZBQOSA-N 445.348 4.719 30 10 IJEE C#CC[C@H](C[C@H](N)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237418266 JAVLLVYJLLVOCZ-UXPWSPDFSA-N 435.406 4.652 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 2244867008 ITMOZBNURAGMJZ-LJQANCHMSA-N 435.487 4.859 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)c(O[C@@H]3CCN(Cc4ccccc4)C3)c2)OC1(C)C 2272100613 NDOUBGUJWRRMLK-LJQANCHMSA-N 447.306 4.658 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC(F)(F)F)c1 2273000364 DBQBRMHRKKFUJP-UONOGXRCSA-N 439.272 4.688 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCCN)CCOc2ccc(Br)cc21 2293322120 KXHOBDNHGRIRPE-QFIPXVFZSA-N 432.358 4.565 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2296220868 CLTRMNFAGCNVIH-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)C#Cc2cccc(Br)c2)(C(F)(F)F)C1 2296222769 VTWJHPDDUPWPCY-GOSISDBHSA-N 446.263 4.559 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](O)(C#Cc1ccc(Br)cc1)C2 2296275278 YRYQZLWPEXWVHK-QFIPXVFZSA-N 434.374 4.733 30 10 IJEE CC(C)(C)OC(=O)NCc1ccccc1CC(=O)C#Cc1ccc(Br)cc1 2296289785 VLGLNHJHRJHNJV-UHFFFAOYSA-N 428.326 4.637 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296294571 VUAWFIOCKHMCAL-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2296300075 CNTACIZCZPJIIW-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE C=C(C)COc1cc(C=C2N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OC 2297328106 WPFVNGBPBYUJOM-UHFFFAOYSA-N 428.828 4.556 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2301432954 CJDKQFLDPVATQR-ADHNFCLRSA-N 428.617 4.903 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 2314028380 JFMXYLCDDSQXTF-RBUKOAKNSA-N 445.560 4.974 30 10 IJEE COc1ccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1OC 2314437952 BWKCRHSOPOQLAL-UHFFFAOYSA-N 433.416 4.807 30 10 IJEE CN1C(=O)C(=C2C(=O)Nc3ccc(F)cc32)SC1=Nc1nc(-c2ccccc2)cs1 2314543777 MBGSZVUHWJPCII-UHFFFAOYSA-N 436.493 4.505 30 10 IJEE CN(C)c1ccc(C=NN=C2SC(=Cc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 2314840890 HGFFKCUITZYALW-UHFFFAOYSA-N 448.523 4.991 30 10 IJEE CN(CCCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317347086 RKAUOJOERPOZFM-BUHFOSPRSA-N 432.370 4.752 30 10 IJEE CC[C@@H](CNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317347255 VFMYBGWTVVQHFP-KRWDZBQOSA-N 432.370 4.656 30 10 IJEE C=CCSc1nncn1N=Cc1cc(Br)c(OCCCCC)c(OC)c1 2321299420 XSGXPMYGDUPJAJ-UHFFFAOYSA-N 439.379 4.779 30 10 IJEE COc1ccc(Cc2nnc(S)n2N=Cc2ccccc2OCc2ccc(C)cc2)cc1 2322016448 NXHFMRZGRTWHKQ-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc4c3CN(CCc3nc5ccccc5[nH]3)CO4)C2=O)c1 2322172197 UPRTZTWUCHNALJ-UHFFFAOYSA-N 437.499 4.882 30 10 IJEE Cc1cc(O)c(CN2CCN(Cc3ccccc3)CC2)c2c1C(=O)C(=Cc1cccs1)O2 2324193056 MCQOMZQHNPIQKV-UHFFFAOYSA-N 446.572 4.696 30 10 IJEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(C)=O 2324538845 MTXPGFLERRLFCU-IBGZPJMESA-N 432.501 4.942 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2324982548 CTVIIVGLOJHIBM-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccncc1 2325951401 LRWPXXNFPAXGCW-UHFFFAOYSA-N 428.359 4.577 30 10 IJEE OCCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccccc1F 2326618566 QWTYWWYFCPCDDL-UHFFFAOYSA-N 434.540 4.712 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccc(OC)cc2OC)CC1 2328209767 PJWWUZXBYYWWCR-UHFFFAOYSA-N 446.617 4.726 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1C 2330597334 REICIYJAZAGLGV-UHFFFAOYSA-N 441.626 4.938 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)Cc1ccccc1 2330623531 FQHFZJPXHLGVRI-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2330663935 MBLGUBIDCNRYPQ-QFIPXVFZSA-N 429.561 4.856 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCCSC 2331044405 DJNAGHUENHXSAS-UHFFFAOYSA-N 429.494 4.938 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2F)cc1C 2331488497 ANSNPTQQOUZSGQ-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc([N+](=O)[O-])c1 2331595024 CWQJDFVVHGEKSM-UHFFFAOYSA-N 433.493 4.660 30 10 IJEE CCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 2331696174 BQRJDRBRJDDLGE-UHFFFAOYSA-N 434.872 4.586 30 10 IJEE CC#CCN(C[C@H](NCC)c1c(F)cc(C)cc1Br)C(=O)OC(C)(C)C 2337912665 KQFFPDNESKIPLI-KRWDZBQOSA-N 427.358 4.808 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339575120 RLSPJCCCYNQOGF-LJQANCHMSA-N 443.397 4.610 30 10 IJEE Cc1cc(C)cc(N/C(=N/C(=O)c2cccc(Cl)c2)NCCc2c(C)nn(C)c2C)c1 32973684 LJXHCTWRNIZCTD-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)cc1 35513488 LVNDWQHFRMLQKS-LJQANCHMSA-N 434.448 4.703 30 10 IJEE C=C(Br)Cn1c([C@H](C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21 40193796 APFNFNKNQVLCCN-KRWDZBQOSA-N 442.357 4.818 30 10 IJEE CCN(C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C)[C@H](C)c1ccc(C#N)cc1 105905412 NBEQNIXEAHXHEZ-CQSZACIVSA-N 427.430 4.690 30 10 IJEE CCOc1cc(/C=N\Nc2nc(CC)c(C(=O)OC)s2)cc(Cl)c1OC(C)C 169943385 VFXSDCLYZDBJAV-FBHDLOMBSA-N 425.938 4.777 30 10 IJEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)cc1OC 169950022 HFAPTEDTJDVXOS-DEOSSOPVSA-N 435.520 4.544 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccncc2)c1 170025369 BDFGASGBUFSYQK-XMMPIXPASA-N 437.499 4.958 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)c(Cl)c2)c1 170042199 LQGSYCIJENPORI-NRFANRHFSA-N 441.911 4.965 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100630 FQFJXQWBVNMFMB-JOCHJYFZSA-N 431.444 4.716 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170114468 UIUYTLGUYRYMTL-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)c(C)c1 170130165 MJCPUQKWAGEMTD-NRFANRHFSA-N 435.501 4.549 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(C(C)(C)C)cc1 170149432 JMRCCNHHZKXURM-QFIPXVFZSA-N 432.520 4.690 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccn2)c1 170176848 FYGYBCIDFHKLCO-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE CCCOc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 170179788 KNVRDSXEDBZNLQ-UHFFFAOYSA-N 425.941 4.969 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccnc1 170189543 DHTWBWPPYDTAPP-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1 170251060 XIUVFAQDSBQVLE-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 170254228 FXEKIXNDIRVWKI-JOCHJYFZSA-N 439.427 4.859 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 170292560 WOZVLIQCWAPBIA-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2OC)[C@@H]1c1ccco1 170294702 AAXDFCJHZWFKSK-HNNXBMFYSA-N 440.279 4.592 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2cccnc2)o1 170307571 OSGLKBRECNCUND-HSZRJFAPSA-N 428.488 4.640 30 10 IJEE C=C[C@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)c1ccc(OC)cc1 248036077 SGHZRTPZQGLDSD-URXFXBBRSA-N 433.529 4.734 30 10 IJEE CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)C1=NNc1cccc(C(F)(F)F)c1 252462931 XNPUAWFIJGZNIE-UHFFFAOYSA-N 445.426 4.725 30 10 IJEE Cc1nnc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)nc1O 254489210 BZIMHBYYVSXXPK-DEOSSOPVSA-N 449.518 4.687 30 10 IJEE N#Cc1cc([N+](=O)[O-])ccc1Nc1cc(Br)ccc1I 312572007 LQMQYVBMIXUUQJ-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O 436497765 UQDFZQXACMTSJW-UHFFFAOYSA-N 428.535 4.625 30 10 IJEE CC(C)N(Cc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1)C[C@H]1CCCCO1 441799660 WJPFTEWRCRRXRX-SLXFGWRHSA-N 426.605 4.918 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H](CN4CCCCCC4)C3)c2)cc1 523743353 MMIPUIWVMPHLPX-DEOSSOPVSA-N 431.580 4.865 30 10 IJEE C=CCN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)c1nc(C(=O)OCC)cs1 524503508 VOQKIZRGYMHJHY-UHFFFAOYSA-N 447.516 4.603 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)c(O)c2)cc1 526744349 MFNQUZPCDADWBH-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c(Br)c1 526825056 HTCRIRQUHPLGCO-JJFYIABZSA-N 449.349 4.925 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccncc2)cc1 526829444 JFWAWYBAJPMUGZ-XYGWBWBKSA-N 444.520 4.541 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1sc(-c2ccccc2)nc1C 553388278 WBKWQNGXSILTAR-UHFFFAOYSA-N 445.997 4.664 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 605197868 OZBITYBCNIYVOI-UHFFFAOYSA-N 442.317 4.511 30 10 IJEE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 608812805 KKKKNRGEUXNTAA-LJQANCHMSA-N 441.531 4.786 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 693764483 UROMCIDABMPNTE-YTZAWJCFSA-N 433.593 4.951 30 10 IJEE CN(C)c1ccc(C(=NN=c2sc3ccccc3n2C)c2ccc(N(C)C)cc2)cc1 725447209 XUDYTWZYOMPFFI-UHFFFAOYSA-N 429.593 4.725 30 10 IJEE COc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)cc(Cl)c2)cc1 738015988 YXJGPTRKJLAGSN-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc2c(c1)COC2 746025082 JIHOAPOMUFNACB-UHFFFAOYSA-O 428.537 4.762 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(c2ccccc2C#N)CC1 749532855 FJIRXVHHKDRKIE-UHFFFAOYSA-N 429.442 4.541 30 10 IJEE COc1cc(C#N)ccc1OC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 764614422 CEBVFZOVRQDQMJ-UHFFFAOYSA-N 438.509 4.621 30 10 IJEE COc1cccc([C@@H](C#N)NC(=O)c2csc(-c3cccc4ccccc34)n2)c1OC 778066789 DQUALECUHSNVEK-LJQANCHMSA-N 429.501 4.975 30 10 IJEE CC(C)c1ccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)NC(=O)OC(C)(C)C)cc1 780831082 IYTJEDSVABMUFZ-HXUWFJFHSA-N 428.577 4.711 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2ccc(-c3ccccc3Br)s2)n1 789760673 BYEPPZYHAIKGAS-UHFFFAOYSA-N 444.398 4.656 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-n4ccnn4)ccc3F)cc2Cl)cc1 1125269584 HEULBCYFMPEOOI-UHFFFAOYSA-N 433.830 4.976 30 10 IJEE COc1cc(C#N)ccc1C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 1125631847 BOPSYOQXCAQXQP-GOSISDBHSA-N 432.307 4.507 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2nnn(-c3cccc(Cl)c3)c2CC)c1 1125714629 XJLZIPFXCPLKAW-UHFFFAOYSA-N 430.895 4.904 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1OC 1125953303 LJMGFAQDMMNXMK-XYOKQWHBSA-N 428.488 4.909 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(-c2cccc(C#N)c2)cc1 1127993136 BOWOINWXOAEWRC-OWJWWREXSA-N 431.442 4.874 30 10 IJEE C#CCN(C(=O)c1cc(F)c(O)c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1146862423 SRIJYOIZJOGCFX-INIZCTEOSA-N 438.680 4.546 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CSC(c3ccccc3O)=N2)cc1F 1148215767 CDZZJVVBUGXEQL-SFHVURJKSA-N 433.464 4.696 30 10 IJEE C=CCn1c(SCCc2cccc3c2OC(F)(F)O3)nc2sc(C)c(C)c2c1=O 1164588225 STQDSWVNKRUMEG-UHFFFAOYSA-N 436.505 4.917 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)COc2cc(Cl)ccc2Br)cc1 1166618298 FDIYEGQEWGHYLO-UHFFFAOYSA-N 437.721 4.827 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1199732541 XVXGWNZJCSRPIK-PGRDOPGGSA-N 425.916 4.893 30 10 IJEE C#CCN(Cc1ccc(OCC)c(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1204924150 SDZLKSRNRCIOAS-LJQANCHMSA-N 430.342 4.815 30 10 IJEE C#C[C@@H](NCc1ccc(I)s1)c1ccc(Br)cc1 1205988701 HZQGWJOOURAGPK-CYBMUJFWSA-N 432.124 4.579 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1Cc1ccccc1Br)C(C)C 1211222728 NFIAZRNEJZAFRU-UNMCSNQZSA-N 448.449 4.864 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1214196631 NRGRWWBXESBHRY-UHFFFAOYSA-N 427.998 4.629 30 10 IJEE C#CC1(F)CN(C(=O)N[C@H](CC)c2ccccc2OCc2ccccc2Br)C1 1221978218 NKBVYDKNMMAHRV-LJQANCHMSA-N 445.332 4.846 30 10 IJEE C=C(CNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1ccccc1 1229631491 ANCLCBLXXJPNNR-LJQANCHMSA-N 426.866 4.531 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1251830599 IPGOOWBCHMOBNR-RTWAWAEBSA-N 429.605 4.899 30 10 IJEE C=CCOc1ccc(COC(=O)c2cc(Br)nc(Br)c2)cc1 1268823695 AZXSMYVCGVZEJQ-UHFFFAOYSA-N 427.092 4.528 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(Cl)cc1F 1275499312 WTFWYXKXEMWPDB-HOYKHHGWSA-N 448.925 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](c1cccnc1)C(C)C 1286304460 NEVNKMDQJQSIHA-WMZHIEFXSA-N 426.568 4.643 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccccc1C 1286516738 JPYSAQUGFUYAAC-HOYKHHGWSA-N 435.959 4.762 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CC2)C1 1286534348 AYDIZAZODWDVBA-GOEBONIOSA-N 435.341 4.702 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286668000 OLOATEAEVPMURQ-BAGYTPMASA-N 426.605 4.662 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286705871 JNXNRLDBCCHELH-FXAWDEMLSA-N 428.602 4.549 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCn1cc(Cl)cn1 1286740292 HXLQOXFAUQMCJL-UHFFFAOYSA-N 442.995 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H]1CCO[C@H](C)C1 1286755423 XTPZHJRWQHNNKG-RTWAWAEBSA-N 432.572 4.514 30 10 IJEE C=CC[C@@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1297175031 BXVSACQZWFRGQN-KRWDZBQOSA-N 427.342 4.583 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 1300347731 DLEBTVBLHLJAJC-HXUWFJFHSA-N 426.927 4.616 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(C)CCc1ccc(Br)cc1 1300362096 KPHVXIFXVXPZDF-HXUWFJFHSA-N 445.405 4.765 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1ccsc1)N(CC)CC 1300431004 CASYSYIDXUHTCJ-QHCPKHFHSA-N 447.652 4.962 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@@H](C)[C@@H]1C 1300742804 AHPGGHKQSYIKSW-ULQDDVLXSA-N 446.711 4.828 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N(CC1CC1)C1CCC1 1300856348 BMLACYVGYQVLPT-UHFFFAOYSA-N 445.405 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C 1300876031 PIDZUQKZLVMOCL-QUCCMNQESA-N 432.996 4.831 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(OC)ccc1Br 1300948807 AUPJEVKMDQOOSP-SFHVURJKSA-N 435.366 4.503 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2c[nH]nc2C)CC1 1301105131 DYVVVSBVZLZIRH-GOSISDBHSA-N 438.551 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301158601 KAGDMWJGWDQYQK-INIZCTEOSA-N 448.036 4.528 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1301176561 DJCTZAZGRYXBAI-NRFANRHFSA-N 448.615 4.552 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C)C1 1301187192 RTHSYAGAZBQRDX-RBUKOAKNSA-N 449.665 4.691 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)c1cccs1 1301280771 VOOZHJJBLPNGCK-FQEVSTJZSA-N 447.402 4.607 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(C)OCCc2sccc21 1301310084 WIRSQSSUTKFSRB-XMMPIXPASA-N 438.597 4.646 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1301372261 VUDVIOVHCTUVPR-BHIFYINESA-N 429.653 4.701 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301434303 IPBGKPLAUSWYGZ-OAHLLOKOSA-N 444.004 4.740 30 10 IJEE C=CCSCCn1c(N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C 1301620039 BFCRTWZMHCNODO-RBBKRZOGSA-N 441.689 4.984 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 1307163260 CRCNWTSSWNIUKL-CBJHCWRLSA-N 435.590 4.999 30 10 IJEE CCC1(NC(=O)OC(C)(C)C)CCN(c2cc(Br)c(C#N)cc2F)CC1 1307198872 XOLVRRRLWLSQFF-UHFFFAOYSA-N 426.330 4.734 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)cc1OC 1308212596 PSKDPQONNXENRG-MRXNPFEDSA-N 440.931 4.922 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](CC(=O)OC)c3ccc(C(F)(F)F)cc3)cc21 1311251119 AXVKPYSJSVEUAF-GOSISDBHSA-N 446.429 4.667 30 10 IJEE N#CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(I)cc2)cc1 1323033762 OODBKEOPOOLONC-GOSISDBHSA-N 447.276 4.563 30 10 IJEE CC[C@@H]1[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN1C(=O)OC(C)(C)C 1356209202 BVYRSWFIIRMXAT-VQTJNVASSA-N 436.512 4.720 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(CC)CCOCC1 1358981862 AMHGFETWTUSXND-UHFFFAOYSA-N 448.611 4.569 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359006998 QPGIISVLIAEDFU-NHCUHLMSSA-N 446.643 4.653 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(CC)C1 1359107938 YKNAYGRRKOVHPQ-OALUTQOASA-N 432.012 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCO[C@@H]1CCCC[C@@H]1C 1359108725 ALNUBJKVNLCXAS-GHTZIAJQSA-N 427.549 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1359109635 JCQSXXAXCAEZNE-RBUKOAKNSA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCS[C@H](C(C)C)C1 1359126839 AOLMAANOYNXXEA-YADHBBJMSA-N 428.646 4.991 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)c2c(C)noc2C)CC1 1359166219 KFQVIQNAGSZBIF-HNNXBMFYSA-N 427.499 4.712 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1359195588 OYVMFSWBONPWAW-QHCPKHFHSA-N 426.568 4.754 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C 1359257585 OPXNYRWILBJUBZ-FQEVSTJZSA-N 427.593 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1359268277 KMJUMICCHIDAKP-RTBURBONSA-N 444.023 4.665 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(C)c(OC)c1 1359274433 NDLPJKRAGHDWLK-FYYLOGMGSA-N 438.616 4.935 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1359339618 MARZIBLXOCWQNH-QFIPXVFZSA-N 439.673 4.813 30 10 IJEE CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1434880040 DFJZTLDWPITIAR-HSZRJFAPSA-N 428.488 4.563 30 10 IJEE C#CCN(C(=O)COc1cc(Cl)ccc1C)[C@H]1CCOc2ccc(Br)cc21 1435175759 NKOCSFZIVZIJNA-SFHVURJKSA-N 448.744 4.775 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 1435176475 LGZASHKXZUZVMR-UHFFFAOYSA-N 434.448 4.891 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 1435976072 LEMNBQMYDKNQSE-UHFFFAOYSA-N 430.460 4.992 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N(Cc3ccccc3)Cc3ccc(F)cc3)C2)c(F)c1 1442409446 DVCHVNFVGSDFPE-JOCHJYFZSA-N 431.486 4.892 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1CC(=O)c1ccco1 1445582883 LDJGIPLUEMJXCP-OALUTQOASA-N 432.561 4.873 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 1446033485 LUZZBJNDUVSGME-DHIUTWEWSA-N 436.552 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 1459635302 UIQMNBAYGCFHJO-QRWLVFNGSA-N 429.973 4.819 30 10 IJEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1n1cccn1 1465590962 DARBTMBTIJVGGW-DNVJHFABSA-N 445.523 4.866 30 10 IJEE C#C[C@H](C)NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 1470656891 IHZJSGZHMDEJCV-LVXARBLLSA-N 428.532 4.533 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 1470785513 FGAHUDGFBNIINW-SBFWRKJZSA-N 439.600 4.858 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1471259686 LAYWKMREAUUCGI-QHCPKHFHSA-N 434.527 4.702 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1494738813 ALCJTTNVQYLDMT-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1507522111 AXCADOZQQNSAPA-UZLBHIALSA-N 444.526 4.636 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cccc(C)c12 1507699775 JNMCHMMFDWZDML-NFBKMPQASA-N 433.600 4.689 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H](C)CCSC 1507790276 CPWBEWNYBLMZMA-MRXNPFEDSA-N 439.423 4.652 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(OC(F)F)cc2)nnc1C(C)(C)C 1507810739 LULWJRACZOUHGO-IEBWSBKVSA-N 434.531 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](CC)OC 1507819163 ONJNDAUWYMUDJI-HNNXBMFYSA-N 425.346 4.674 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507827837 HEFSRGQFVPZCDL-WOJBJXKFSA-N 439.604 4.959 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507877158 BUBDREIMALSQJV-BTYIYWSLSA-N 449.368 4.554 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1507961695 CQLVVKYKQSHCAU-QHCPKHFHSA-N 433.556 4.591 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCc1cccs1 1507998327 FLOMDJCKYZKVTG-NRFANRHFSA-N 433.581 4.541 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@@](C)(CC)O1 1508002324 DTIDWQGNIQPNRJ-ZEQKJWHPSA-N 431.584 4.804 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCN1CCCC[C@@H]1CC 1508004875 RKGJIMPCZHQXBV-DEOSSOPVSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCN1CC=CCC1 1508007631 GEGYEOAMKMVVKE-UHFFFAOYSA-N 437.588 4.524 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CC1CCC(F)(F)CC1 1509944932 AOLZTWCZCZQKAU-QGZVFWFLSA-N 426.515 4.845 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC2CCC(c3ccccc3)CC2)cc1 1515902103 MQYGTKOWSRQXHF-UHFFFAOYSA-N 426.582 4.796 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C)c1ccc2c(c1)OCCO2 1522212796 UFVGBAJFQDDEIJ-XMNZWCOLSA-N 437.536 4.615 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccccc2CN2CCC(C)CC2)cc1OC 1525287533 LEJBJVMQXXVTMU-BENRWUELSA-N 434.580 4.822 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCc3cccc(C(F)(F)F)c32)nnc1-c1ccco1 1525700719 VJTSDHWXEBZSFX-UHFFFAOYSA-N 448.470 4.814 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(C)ccc1I)c1ccc(F)c(F)c1 1529491901 JSISRURKGGYUBV-QGZVFWFLSA-N 427.232 4.925 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1ccc(C(N)=O)o1)c1ccc(C)c(C)c1 1531214823 ZLIUWZUCUQFLPG-OWBHPGMISA-N 430.504 4.807 30 10 IJEE C=CCc1cc(C(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)cc(OC)c1OC 1531940331 JPEFTICPBZTBSB-UHFFFAOYSA-N 437.536 4.981 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cc(Cl)ccc1I 1536323659 JEMYUJJZCXHIQM-UHFFFAOYSA-N 425.697 4.816 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2ccco2)C1 1539094669 SOSCZCFKVJEAKA-NZQKXSOJSA-N 434.540 4.619 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1ncc(CC)s1 1539247300 XVJCSSPSTYGZBO-UHFFFAOYSA-N 431.609 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccccc1)N(CC)CC 1539556239 NKDOPDIZQVGEFX-JQYIIUTOSA-N 435.616 4.595 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)C[C@@H]1CC=CCC1 1539641248 DOPWYWRBEGQMCN-SLSDLSHTSA-N 436.600 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Oc1ccc(F)cc1 1539674400 ULIVBAOLONYICW-MRXNPFEDSA-N 429.565 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539840310 RFLUNMDKUYCHCV-DOTOQJQBSA-N 449.368 4.554 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1540037953 UYFZVGXHUIKUKT-UHFFFAOYSA-N 442.579 4.698 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1C[C@@H]1CC(F)(F)CO1 1540120687 VAPUFJKDJOMZHK-FQEVSTJZSA-N 432.515 4.561 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCSC1 1540136333 GSLXNWWAXXQAQX-QGZVFWFLSA-N 443.617 4.719 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H]1CCCCO1 1540191263 IUNBXGCWCXKVDL-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1C#N 1540326930 HEFBISFMWBJUHU-UHFFFAOYSA-N 425.897 4.573 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1540855821 ZKHJWFQXOJDHSU-UHFFFAOYSA-N 448.398 4.667 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1540915395 KZLCAVFRJJCLJN-PMACEKPBSA-N 449.020 4.670 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CC[C@@H]21 1540922339 LISAESFBJXCTON-QYZOEREBSA-N 447.649 4.648 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCS1 1541983455 HHKKQSWOWFATEZ-GSHUGGBRSA-N 429.565 4.583 30 10 IJEE Cc1ccsc1CCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1542068052 DUHIJTLRYPGTEK-UHFFFAOYSA-N 435.597 4.823 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc1OC 1545599694 VSDGHBGYIRXQDI-SYKLMVBDSA-N 436.335 4.818 30 10 IJEE C=CCCC[C@H](C)NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1546145369 JPHBNHUIZLWURP-GOEBONIOSA-N 428.495 4.791 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 1557171536 VQAZMXKIHWPBLV-MRXNPFEDSA-N 425.326 4.577 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1558881337 AVMCENJARLLDEB-UYAOXDASSA-N 428.573 4.998 30 10 IJEE C#CCn1ccc(CN(CC)Cc2cccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)n2)n1 1560801506 QVXHGAYIJSBKPS-UHFFFAOYSA-N 445.567 4.947 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)cc1 1562370313 HYDOMXKMSFLWTE-UHFFFAOYSA-N 432.476 4.830 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2nnc(C(C)(C)C)n2c1 1584442989 DHTDCFSGCLNEAV-UHFFFAOYSA-N 445.336 4.757 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](c2ccncc2)C2CC2)nnc1-c1ccc(Cl)cc1 1586015685 MTAPFRMDGTVPMZ-FQEVSTJZSA-N 439.972 4.539 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 1587170392 GVXJXPAIYWWRPJ-DOTOQJQBSA-N 436.350 4.733 30 10 IJEE C=CCOCCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1587497690 DPYXTSAURGIPKH-UHFFFAOYSA-N 429.523 4.678 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2nc(C(C)C)ncc2OCc2ccccc2)cc1 1587965060 VPVXZDFJRFIXKH-UHFFFAOYSA-N 445.523 4.739 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1588459214 ONRQEGMMOLMAHY-XMTFNYHQSA-N 426.527 4.950 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1ccnc(C(F)(F)F)c1 1588481000 DZOYDRNNOLJTJK-UHFFFAOYSA-N 443.448 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)CN1CCCCC1 1589150819 LUUQPMKIBGJHME-WFIHMLKPSA-N 433.644 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H](OC)[C@H](C)CC 1589192360 QIBDSXCUMJENRX-ZWDAVXSWSA-N 445.405 4.761 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCCc1nc2c(s1)CCCC2 1589668849 DMPUNKBVXRMRQM-UHFFFAOYSA-N 436.629 4.634 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1593851681 ATLIEDNQHAMBNM-PKOBYXMFSA-N 448.995 4.889 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](OCC(C)C)C1 1594703188 FIBCYPXDBYUAEH-KRWDZBQOSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1nccs1 1595094107 NNVAQSIOSYBABY-GOSISDBHSA-N 441.564 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1595196413 RPMQBTRLXJAFIT-SFHVURJKSA-N 443.567 4.766 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)s1 1595261832 WIHWCIWXVGYVKH-UHFFFAOYSA-N 439.972 4.855 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)c1ncc(C)s1 1595281997 BSFSFLWRNYLQLU-OAHLLOKOSA-N 431.993 4.806 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1 1595614898 ZSMCOFPJZHLYOI-KRWDZBQOSA-N 431.462 4.665 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Cl)ccc1-n1cncn1 1596886111 DVENUARWPYHBDZ-UHFFFAOYSA-N 433.693 4.500 30 10 IJEE C#C[C@@H](NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1)c1ccc(Br)cc1 1596984673 FBJULTFJLSEQAR-QGZVFWFLSA-N 425.248 4.638 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(C#N)c(Br)c2F)CC1 1613068637 CCIDVTHZORAFQO-ZDUSSCGKSA-N 426.330 4.909 30 10 IJEE C=CCN(CC(=O)Nc1cccc(Cl)c1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1617224546 BOARAFUNNZJANS-LJQANCHMSA-N 435.351 4.594 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@@](C)(CO)c3ccccc3)c2C#N)C1 1617282634 DOLQTDLIRIHVNM-CJAUYULYSA-N 439.625 4.597 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc2ccccc2cc1C(=O)OCC 1618117372 PQJNXYPRQPNPSM-IBGZPJMESA-N 446.931 4.991 30 10 IJEE CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1=O 1618313183 IADAWETXIVVUCL-DPPHCXMASA-N 429.564 4.851 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CC)n1 1624966859 UQUCWFVYDILMCP-OAHLLOKOSA-N 446.477 4.910 30 10 IJEE C=CCOC[C@H](NC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12)C(=O)OC 1626205015 TXPXTZIPTMRGKW-DHMBBJFDSA-N 443.628 4.982 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)c1ccc(Br)cc1 1628542260 FLUBOUKEILYXJO-KRWDZBQOSA-N 445.313 4.606 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCSCc1ccnc(Cl)c1 1631436429 PKGBSQSBSIPVDQ-UHFFFAOYSA-N 430.879 4.982 30 10 IJEE C=CC1(CC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CCCCC1 1631697277 CUXSKJVEVMJNNA-HBMCJLEFSA-N 434.621 4.966 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccsc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640555860 AUAVDZOBPNPEAW-PXAZEXFGSA-N 446.619 4.837 30 10 IJEE C=CCO[C@H]1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 1642388600 NLMJWLGPIDDJNC-YADHBBJMSA-N 436.379 4.737 30 10 IJEE C=CCC[C@@H](NCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1 1642447065 DCOHEXLWYUZHEN-OAQYLSRUSA-N 449.492 4.790 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@@H](C)CC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540030 IQUVVVNQDQFZKY-CVEARBPZSA-N 447.670 4.754 30 10 IJEE COc1ccc(Cn2c(SCCc3ccc(C#N)cc3)nc3ccccc3c2=O)cc1 1652450379 GWXZOASRLXAMAJ-UHFFFAOYSA-N 427.529 4.660 30 10 IJEE C#CC[C@@H](NCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)c1ccccc1 1653095886 GCVMLFKJXMAVPM-JOCHJYFZSA-N 429.589 4.909 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccccc2Cl)c1 1653371347 WZNNPLPEPSDZON-UHFFFAOYSA-N 428.893 4.904 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CCN2CCCCCC2)C2CCC2)n(C2CCCC2)c1C 1654614604 HIIWWOVPFQSROM-UHFFFAOYSA-N 439.648 4.761 30 10 IJEE N#Cc1ccc(NC(=O)CCN2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc1Cl 1654853427 DWMMMADFRUZNSA-JOCHJYFZSA-N 440.334 4.564 30 10 IJEE CN(C)c1nc(CNc2cc(F)cc(C#N)c2)c(Cl)n1-c1ccc(Br)cc1 1658717988 BCWPPJCCXZATMP-UHFFFAOYSA-N 448.727 4.977 30 10 IJEE Cc1cc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c(F)cc1F 1660039649 GGSHGLPJSPGZJX-UHFFFAOYSA-N 430.451 4.988 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1663294346 JESAXYKEVKILAJ-UHFFFAOYSA-N 428.583 4.626 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 1670415013 NOHRSEJEUHAFMV-QGZVFWFLSA-N 430.373 4.956 30 10 IJEE C=CCc1cc(CNC(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)cc(OC)c1OC 1677640929 HHRIXCYWWSFENC-GOSISDBHSA-N 444.959 4.799 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1)[C@H]1CCCc2ccccc21 1678719024 WZMCVVMIHMIDQI-OFVILXPXSA-N 432.564 4.633 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 1679244356 OWLXTERAEJLMIU-LJQANCHMSA-N 445.382 4.537 30 10 IJEE C#CC[C@@H](NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1 1681648924 QNVKASMKQSTTSD-ISKFKSNPSA-N 426.495 4.981 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1685889865 DNTSUWWBTZOJTK-AABGKKOBSA-N 438.421 4.607 30 10 IJEE C#CCC1(NC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)CCC1 1687710902 VFLJRXSYBQHUHL-UHFFFAOYSA-N 444.432 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccsc1 1689864714 HBSFYWXWSQJXBH-AWEZNQCLSA-N 435.380 4.926 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCC=CO1 1690034993 YJRGLHJPZYBFJN-QGZVFWFLSA-N 436.968 4.969 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCCOC1CCCCC1 1690039800 SKDFXKWJCCUFMI-UHFFFAOYSA-N 441.579 4.696 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)CC[C@H]1C 1690161794 QFVXLDCPSMUFAQ-UONOGXRCSA-N 439.448 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCCN1CCCO[C@@H](C)C1 1690260633 RHANNVPTMMBHGP-IBGZPJMESA-N 432.012 4.502 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCSC2)CC1 1690369659 SLROEOZOOMKSRL-SFHVURJKSA-N 428.602 4.652 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690380487 OZHYIAXJLACOIQ-DHIUTWEWSA-N 437.632 4.690 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCc3ccccc32)CC1 1690394821 NKZHYNMDUQFVPX-NRFANRHFSA-N 435.616 4.719 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1cccs1 1690460988 SDLYLIRXOUQTLP-KRWDZBQOSA-N 448.596 4.807 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1ccco1)N1CCCC1 1690520308 QMTLKABMWMYWGE-LJQANCHMSA-N 441.963 4.659 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@@H]1C 1690558166 GZUDOFGTLIPMHA-LIRRHRJNSA-N 437.345 4.681 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1sc(C)nc1C 1690570122 WRXPREVREUETCG-FQEVSTJZSA-N 441.576 4.973 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(C2CC2)CCC1 1705484576 RMUUBZCOBFGDLN-CQSZACIVSA-N 431.353 4.885 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1705537731 PHNWFPPWLRHIBZ-FQEVSTJZSA-N 444.048 4.702 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(C)CCCS1 1705623326 NWXIQWBRIHOQJY-HSZRJFAPSA-N 444.670 4.647 30 10 IJEE C#CCSCCn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@H]1CCCCO1 1705665030 IICBTDOTFZJIGW-NSISKUIASA-N 449.020 4.728 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1705745726 GMRAIAVQZIEWRS-QFBILLFUSA-N 437.009 4.825 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1705757422 KZPHAXCTZGBVCI-UHFFFAOYSA-N 443.016 4.565 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC=C(C)C)CC1 1705767401 AAOKKYFCJGRAKU-FQEVSTJZSA-N 429.609 4.905 30 10 IJEE C=CCCCCn1c(N2CCc3cc(F)cc(C)c3C2)nnc1[C@]1(OC(C)C)CCOC1 1705809359 PAGCMEHFLCSDAL-VWLOTQADSA-N 442.579 4.685 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1705887559 NKRPTVFLWFVBIY-LBPRGKRZSA-N 425.758 4.551 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(C)s1 1722284228 IOFDGRKPPXCYEH-CQSZACIVSA-N 429.387 4.892 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)[C@@H]1C 1722327591 GSKVBWNSUMLCLX-QWHCGFSZSA-N 425.421 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCOCC 1722495884 IHSDDFVNNDUJBJ-KXBFYZLASA-N 439.387 4.706 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1F 1722504920 PQQAUGGKUOZCSQ-ZJSXRUAMSA-N 426.580 4.810 30 10 IJEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)c1cccs1 1722549889 CDUFFBYPQAZGCA-CYBMUJFWSA-N 426.933 4.605 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1722596074 BPPKRBHLNIGGQT-TYDNGALESA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccc(Br)cc1 1722604267 XAYMYXLDJAMLGV-GOSISDBHSA-N 433.394 4.580 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722642733 NPWWWFCIZZXWGY-AUSIDOKSSA-N 442.604 4.719 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ncc(C)s1 1722663887 KIVGZYNRTFRQNR-DOTOQJQBSA-N 429.615 4.605 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCCCC2)C1 1722734065 VUQLTGGFGSFJND-UHFFFAOYSA-N 437.613 4.666 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CC2CCC(F)(F)CC2)c1 1730012686 BLYXKXUUESUTHH-UHFFFAOYSA-N 445.514 4.528 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H]1Cc1cccs1 1740787966 MWQXFMCOEPZJRX-FQEVSTJZSA-N 438.597 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS[C@@H](C(C)C)C1 1740847082 WKKDMSZVRRMOMU-HXUWFJFHSA-N 428.602 4.854 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1740908605 DUHZALGKIPLPGE-MBSDFSHPSA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CC1(c2ccccn2)CCC1 1740914861 MDURLYFUNGNYRH-UHFFFAOYSA-N 426.568 4.983 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(C)cc1 1740923008 BGWYYEBYVNYQTQ-FQEVSTJZSA-N 438.597 4.814 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1741002309 KRHLWVVPGQZECB-RTWAWAEBSA-N 444.620 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1F 1748652066 WMBAASVUGVHRKF-ZDUSSCGKSA-N 433.350 4.723 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCCSC 1748702619 NTQHNHUNFRIDRM-UHFFFAOYSA-N 427.437 4.762 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCCO1 1748724039 INHZYITVJFLFBP-HSZRJFAPSA-N 438.616 4.963 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[C@@H]1C 1748915328 SOQUTXFPGOILIQ-JKSUJKDBSA-N 431.378 4.612 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(CC)CCCC1 1748953879 VZCNXWXHKKEFGR-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCc1nccs1 1749122181 SRHWHKKHCFIRID-RBBKRZOGSA-N 437.613 4.624 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1749390666 HBYJHJVXILTSMW-PXNSSMCTSA-N 428.556 4.687 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1749419734 NYUSLUBETNLPCO-LJQANCHMSA-N 448.546 4.609 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 1749511346 VHSGXFSJTUOXAV-ROUUACIJSA-N 444.023 4.641 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1C 1749536126 ATTFTPASWMWKDC-FPOVZHCZSA-N 430.556 4.554 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1749563277 ACLNJJAUUNZPTN-DEOSSOPVSA-N 430.600 4.792 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@@H]1C(C)C 1749584943 SSLGXTQQCKDBRR-ISKFKSNPSA-N 433.600 4.580 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1749622259 NPDGRPJWRKJNHB-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCSC2(C)C)C1 1749717044 GALJUZBEBKKTTC-FGZHOGPDSA-N 440.657 4.766 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](COC)C1 1749745649 CODCSCBGGJRNMT-QZTJIDSGSA-N 446.686 4.913 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1749761726 FLSYSDNRHFSNCM-INIZCTEOSA-N 429.540 4.659 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1760136142 CQNHDOVNQUQETK-WOJBJXKFSA-N 427.618 4.781 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1760145618 ROQRMULORQHIAU-YADHBBJMSA-N 446.599 4.566 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760227107 VIXYEGNROAOXAV-HOYKHHGWSA-N 445.558 4.517 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760439682 PYLDIOZWSQRRNU-UHFFFAOYSA-N 442.489 4.515 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCCN1CCOCC1 1760455065 ZQXCBGVNQYFAKB-UHFFFAOYSA-N 446.020 4.548 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1760468200 LRUXJISLOQPHRP-WIYYLYMNSA-N 442.604 4.718 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@H]1C(C)C 1760479040 BZRLEHDSPLUNCT-VWNXMTODSA-N 445.567 4.972 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@H](C)C1 1760504644 XALCZURPYITZNG-CVEARBPZSA-N 439.387 4.706 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1765167246 AGJNTBPZOOCREJ-JOCHJYFZSA-N 434.613 4.808 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1Cc1nccs1 1768644367 AZJODJMMBNJRRC-UHFFFAOYSA-N 426.958 4.673 30 10 IJEE CC(C)(C)c1ccc(OCCCN2C(=O)C(=NO)c3cc(Br)ccc32)cc1 1772729084 VYIBMNDTBQNIBO-UHFFFAOYSA-N 431.330 4.741 30 10 IJEE NC(=S)N/N=C\c1cn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc2c(c1)CCC2 1857806803 JLEZVDIWJFXKMO-VROXFSQNSA-N 430.364 4.502 30 10 IJEE CC(C)c1ccc(C(=O)N2CCOc3ccc(NC(=O)c4cccc(C#N)c4)cc32)cc1 1858453246 NXMWDTKTIZUCCC-UHFFFAOYSA-N 425.488 4.973 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(=O)n(CC)c1)c1ccccc1 1861227081 DRJFSDTZRWAVSS-XMMPIXPASA-N 439.600 4.596 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)c1cccc(Cl)c1 1861925918 NWKODBGPFLMXRP-NRFANRHFSA-N 428.985 4.572 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(OC)c1 1862458375 MKAYNYQOXCIUPC-HXUWFJFHSA-N 433.426 4.881 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862477014 RJEJKXANSUTHHY-XMMPIXPASA-N 443.499 4.617 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862502365 YAMGYEJUEOTDLA-QHCPKHFHSA-N 430.479 4.870 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cc(Br)ccc2F)cc1 1862541286 IHYRFTATQQHJCY-GOSISDBHSA-N 432.289 4.749 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)c1 1862559360 MNEQYPLNNQCEJT-HSZRJFAPSA-N 434.536 4.969 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2F)cc1 1862560542 JMXJNHNWDCQNMX-QHCPKHFHSA-N 448.469 4.676 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C(=O)O)cc1 1862651233 OHMSUPMNXSMBAI-QFIPXVFZSA-N 429.472 4.916 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)cc1 1862735401 JRDFAEXYOYZBLY-NYHFZMIOSA-N 444.443 4.640 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 1862746287 CGBDJMQYDBRKAP-QFIPXVFZSA-N 446.434 4.555 30 10 IJEE CC(C)Oc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 1862768533 RQVUTZLFLSEAFG-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863289004 QAXXNQGLRXDNGB-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCCOCC)C1=O 1863769442 JCZFQLIAEJANDN-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN([C@@H](C)c3cccs3)CC2)nc(-c2cccnc2)n1 1869370899 AQDVWACKSQAEEO-FQEVSTJZSA-N 446.624 4.662 30 10 IJEE N#Cc1nnn(Cc2c(F)cccc2Cl)c1NC(=O)C(c1ccccc1)c1ccccc1 1870105528 WSFSJVKWKCRWCX-UHFFFAOYSA-N 445.885 4.761 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc(C)cc2)cn1CCCCC 1870710451 GEJHHLQJDPJTSA-UHFFFAOYSA-N 437.584 4.538 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(CCCCN(C)C)CO2 1871348254 AKAVVTZHUZECMM-OYKKKHCWSA-N 445.563 4.597 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)c1 1871415913 AKFUKHCMTXKTCS-QRVIBDJDSA-N 430.456 4.985 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)nc(Nc2ccc(OCC)cc2)[nH]1 1871529482 ZOBWQVSZIFATDL-UHFFFAOYSA-N 430.556 4.535 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(N(CC)CC)cc2C)[nH]1 1871710614 FUQJGEWSLNRFEH-UHFFFAOYSA-N 437.636 4.972 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871759372 MNTKJBYDZKBOIB-NRFANRHFSA-N 444.597 4.605 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871762193 WEIGAHJOWJREAF-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(F)cc1 1872102943 IOKOZAMTYIEXBU-QFIPXVFZSA-N 443.544 4.681 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCCC 1872148887 CVBHRGYHJBMYJO-QFIPXVFZSA-N 429.586 4.765 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)cc1 1872567720 RHDUZLFKUQPVRP-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE CCCOc1ccccc1/C=N/Nc1cnn(-c2ccc(C)cc2)c(=O)c1Br 1873526053 KYWZYTWOVMRMHQ-YDZHTSKRSA-N 441.329 4.538 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3CCCCCC3)ncnc2n1CCCOC 1873589784 XOCILFODCNSOPO-UHFFFAOYSA-N 443.636 4.939 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1cccc(OC)c1O 1874225255 BHBSVVDSDSFWJD-BUVRLJJBSA-N 440.569 4.615 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2[C@@H]2CCCO2)cc1 1874443773 KSYHLWZMJFBQAG-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)ccc1O 1874450355 ZTDOKHHXEAYJFK-BYWZACNXSA-N 444.944 4.672 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)c1OC 1874458370 JNMGMKUHCLJRIN-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874491263 IFHWXMWTPCAMPB-LSFURLLWSA-N 443.400 4.957 30 10 IJEE CCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874506963 DYUQZJIZWUESJK-YDZHTSKRSA-N 442.614 4.598 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874516721 DAGKURZYEALYQM-ANDSAHIGSA-N 441.988 4.907 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1Br 1874614020 ZKAVPRCSDHSHED-VZUCSPMQSA-N 446.341 4.649 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875151739 AEKSNZGGTPXFOU-VQHVLOKHSA-N 443.427 4.743 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3c[nH]c4ccccc34)ncnc2n1CC=C 1875227642 HYKIDWUFQZLYQX-UHFFFAOYSA-N 440.551 4.567 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2cc(Br)c(Cl)s2)C3)OC1(C)C 1879730572 ODBPGBDCFMEJKB-BTDLBPIBSA-N 446.603 4.862 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccccc3C(F)(F)F)ccc21 1890517797 DOVRVXLXEPGKGC-UHFFFAOYSA-N 432.442 4.824 30 10 IJEE O=C(CCc1ccc(Br)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 1891086620 OHLBEPGNHNGJRO-UHFFFAOYSA-N 440.259 4.599 30 10 IJEE CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1 1891125013 LBPXLKPNQMKDQV-KRWDZBQOSA-N 434.355 4.992 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891155487 OUVSKYHPSJPLHB-CYBMUJFWSA-N 446.252 4.978 30 10 IJEE O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@@H](COc2ccnc(C(F)(F)F)c2)C1 1891381452 DUYVACKVMFYIKI-SNVBAGLBSA-N 436.327 4.588 30 10 IJEE C[C@]12CC[C@@H]3[C@H]4C[C@H](/C=C/I)C(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O 1933253037 UFYNPOMBTQJCRS-NUBWKASNSA-N 426.338 4.664 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3cc(Br)ccc3Cl)C2)OC1(C)C 1965474650 GWXUQGGLNAHVPQ-GFCCVEGCSA-N 428.563 4.801 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1976250913 FGHUYBKXGGBZIP-HIFRSBDPSA-N 446.183 4.518 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 1986261448 COSNFIWUVGGLFN-ZWKOTPCHSA-N 430.511 4.829 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 2010543566 NAHVQGAXJVETTF-FOIQADDNSA-N 443.931 4.649 30 10 IJEE CCc1nn([C@@H](c2cc(C)c(C)cc2C)C2CC2)c(I)c1/C=N/O 2079125751 VCKBQSPRXZYSOC-VMHWHBCQSA-N 437.325 4.783 30 10 IJEE O/N=C/c1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079231768 DZMNWAUBZUPJCY-LKNXVUQUSA-N 434.109 4.679 30 10 IJEE CC(=O)Oc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080077544 GJXXYODBGCWHQU-IBGZPJMESA-N 434.334 4.892 30 10 IJEE CCCN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2143598555 JXHAPSDTYZVNIN-UHFFFAOYSA-N 448.460 4.862 30 10 IJEE N#C[C@@]1(Nc2ccc(Br)cc2)CN(Cc2ccccc2)C2(CCOCC2)C1 2156317752 GNGGJDXXEOPNKB-OAQYLSRUSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2ccc(C#N)cc2Br)(C(F)(F)F)C1 2167671759 HSROBONXILUJPY-QGZVFWFLSA-N 448.283 4.922 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181135686 RJYCMFZHKAVXPY-GUYCJALGSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@H](Oc3cc(Br)cnc3C#N)C[C@@H]21 2198816038 SJPBVQRLAMMKKJ-KMFMINBZSA-N 436.350 4.663 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](O)C#Cc1ccc(Cl)cc1 2212470439 YVGHAGAGFHBUEA-FGZHOGPDSA-N 429.944 4.553 30 10 IJEE C=CCN(C[C@H](NCCC)c1cc(Br)nn1C(C)C)C(=O)OC(C)(C)C 2224279123 XPYMVEGRZMUHMG-HNNXBMFYSA-N 429.403 4.690 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@@H](O)C#Cc1ccccc1Br 2235740132 MUVDIADYEQYMCT-ICSRJNTNSA-N 436.390 4.883 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2235749977 PVKDMKHEWVARKL-YTQUADARSA-N 435.406 4.814 30 10 IJEE C#CC[C@H](C)C[C@H](NCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237419864 JYKWJJMOIKUOPG-FFZOFVMBSA-N 437.422 4.913 30 10 IJEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)OC1(C)C 2241476505 UIYUNWLORQQMDO-UHFFFAOYSA-N 433.382 4.890 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CCC3)sc2Cl)OC1(C)C 2243383985 HOBWDGHDWLOIBF-UHFFFAOYSA-N 431.794 4.896 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2261825324 CBHUBFUVJAVXHG-OALUTQOASA-N 447.572 4.512 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2266060696 DIMWHARCXQFXBM-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](C#N)CC23CC3)cc1Br 2288842376 LODLVJILGYPUMC-CYBMUJFWSA-N 434.334 4.704 30 10 IJEE C=CCN1C(=O)SC(=Cc2cc(Br)c(O[C@H](C)CC)c(OC)c2)C1=O 2293998820 GLDALVYCVBZTLD-LLVKDONJSA-N 426.332 4.857 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296226617 HEQUJJHUOWUKHH-UXHICEINSA-N 428.326 4.528 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)C#Cc2ccc(Br)cc2)C12CCC2 2296276515 IUJAUQGQHBUFSR-APWZRJJASA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@@H](O)C#Cc3ccc(Br)cc3)ccc21 2296281886 PKCVPZDEDJFIDQ-FQEVSTJZSA-N 428.326 4.832 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)C#Cc3ccc(Br)cc3)C[C@H](C2)C1 2296291289 MWPRBCSZOQEBFL-IRXDYDNUSA-N 432.358 4.653 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2296302159 FGZCUNZDRLJEMT-UZLBHIALSA-N 435.406 4.672 30 10 IJEE CCCN[C@@H](C#C[C@H]1CC1(F)F)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302312979 MPENTKGCWVFWIP-PCCBWWKXSA-N 436.543 4.513 30 10 IJEE Cc1ccc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2319748563 KHVDGEANDAQOCM-KRWDZBQOSA-N 430.354 4.650 30 10 IJEE CCc1ccc(NC(=O)CSc2nncn2N=Cc2c(OC)ccc3ccccc23)cc1 2321248614 SFVZTOKQDOVFHB-UHFFFAOYSA-N 445.548 4.615 30 10 IJEE COCCc1nnc(S)n1N=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2321911757 QCDNPWZAMWTJBQ-UHFFFAOYSA-N 437.352 4.524 30 10 IJEE Cc1c(OC(=O)COc2ccccc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2322948883 LMWHSYAPJYGFEU-UHFFFAOYSA-N 429.472 4.662 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)C=Cc3cccc(F)c3)CC2)c1C#N 2323105912 AULQNPMVRWWXQH-UHFFFAOYSA-N 439.556 4.947 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2323118398 OCIFOOOTBZHCGD-UHFFFAOYSA-N 434.419 4.743 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)s1 2325441783 XARAWONOJSQYGY-HNNXBMFYSA-N 447.516 4.679 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccccc1OC 2325675200 QQVAFGOEAGZOJO-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)c(O)c1 2329743468 TXAHURLATXTILS-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE CC[C@H](N[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511257 DLXXDCAQIAVXKA-SFTDATJTSA-N 446.441 4.576 30 10 IJEE C[C@@H]1C[C@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339601835 BORRVTUMTGLPRW-MJGOQNOKSA-N 444.381 4.751 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2ccc(Br)c(F)c2F)n1 2362179576 GQKMMQIHOQCLQU-UHFFFAOYSA-N 426.066 4.522 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)N 2381193475 ZNFIZTHOTVLKIX-CALQCPNCSA-N 434.378 4.990 30 10 IJEE Cc1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C#N)c1C 20571739 KLNMJEKEFXVLKW-UHFFFAOYSA-N 445.953 4.943 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC)c(OC)c2)C3)cc1 21231994 WXSUJOMNBZYPTA-CTNGQTDRSA-N 449.547 4.887 30 10 IJEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)ccc1O 21256042 PAFDHJXWBVJXCU-FPOVZHCZSA-N 449.547 4.830 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccc(F)cc1 24014809 XKLYUXIDSRHBDI-OAHLLOKOSA-N 440.569 4.890 30 10 IJEE C[C@H]1CN/C(=N\c2c(Br)cc(Br)cc2Br)SC1 96874292 HUFBFAVYYXUIOT-LURJTMIESA-N 443.002 4.934 30 10 IJEE NC(=O)Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)c2ccccc21 100422022 GKRYDDVKKYVKLO-BUNZEZOSSA-N 444.560 4.673 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)c1 169938014 DUMHANIARWCSEJ-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)c1 169966150 YRNMNCCJZIRBRU-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)c1 169972869 RNIVLQKTZSHJEC-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)c(OCC)c1 169974524 RMHGGGUFHWUDPH-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccccc2)cc1 170050784 ULOQSAFULFKZEM-QHCPKHFHSA-N 441.483 4.819 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)cc1 170058639 SEJYKXWBOIEQOR-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2C)cc1 170087278 ISRDKFAGPLMIKQ-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1cccc(C)c1 170145628 HXHGTJPSCXTPML-HSZRJFAPSA-N 437.536 4.645 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(C)c2)c1 170148083 YRYJQCRGTZLUST-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccs1)c1ccc2c(c1)CCCO2 170157470 IDPDTAWATVKIOW-NRFANRHFSA-N 433.485 4.562 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccnc2)cc1 170185824 NQOIILHUJRYGHI-QHCPKHFHSA-N 428.488 4.744 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1C 170188615 SCJHJZFJQYYNFA-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170226422 KMURWAZLVNEXML-QFIPXVFZSA-N 447.874 4.894 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 170238746 WFZQDDJNZDYUKS-NRFANRHFSA-N 439.389 4.895 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)cc1 170266217 KUKVIWGLCPLXOF-HSZRJFAPSA-N 431.488 4.938 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)c1 170270757 FFRBMSKDPCGAOK-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3ccco3)oc12 170283785 UOJJCUFWHOHAHK-FQEVSTJZSA-N 431.400 4.523 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3ccc(C)o3)oc12 170301206 JLBOCXWKIZWAKD-NRFANRHFSA-N 445.427 4.831 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1O 170322854 XBELWOXFRFCMEK-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCC)c1 170324454 PCCJQZAYXHKYNR-QHCPKHFHSA-N 435.520 4.947 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)ccc1O 170464395 ANCQZJMJRWZYEJ-FQEVSTJZSA-N 429.900 4.878 30 10 IJEE COc1ccc(C=NOC(=O)COc2cccc(C)c2C)cc1COc1ccc(F)cc1 254747407 CXGJVVUAPNZMMB-UHFFFAOYSA-N 437.467 4.986 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 410102111 WKGNGEXWNAZXFF-HXUWFJFHSA-N 442.453 4.754 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1 442495902 OPGNEKKDDDKQEQ-QHCPKHFHSA-N 435.487 4.901 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)NCC[C@@H]2COc3ccccc3O2)cc1 482986514 SNYPYRWZXTXPBL-JOCHJYFZSA-N 443.503 4.683 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](COc4ccccc4)C3)cc2)c1 484129692 KREMIIQGLZATNQ-DEOSSOPVSA-N 429.476 4.662 30 10 IJEE CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(C(F)(F)F)c1 505024684 OMODNZTWTPJLOI-CYBMUJFWSA-N 427.492 4.687 30 10 IJEE C=CCOc1c(Br)cc(CN2CCO[C@H](c3cccc(O)c3)C2)cc1OCC 537634273 VTRFHNDXDCVTES-NRFANRHFSA-N 448.357 4.692 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](c2cccs2)C1 549677234 SHWRPVUQZVWJCW-HXUWFJFHSA-N 440.569 4.568 30 10 IJEE Cc1cc(C#N)nc(Oc2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)n1 553483621 XZFQOCDVACQOAC-UHFFFAOYSA-N 434.253 4.929 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(OCC(F)(F)F)c3)CC2)c(F)c1 571151523 ANBQGHGGXDAADG-UHFFFAOYSA-N 437.393 4.714 30 10 IJEE COc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2)ccc1OC(C)C 619817475 IQOZABKGCSMSSK-SANMLTNESA-N 445.567 4.919 30 10 IJEE CCN[C@@H](C#Cc1ccccc1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693716930 KNWRUVXXQLQVNQ-VWLOTQADSA-N 447.623 4.576 30 10 IJEE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)c(C#N)cc1F)C2 705649616 BWJYZEUMIJMKRZ-SZPZYZBQSA-N 428.349 4.808 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1c[nH]c2cc(Cl)ccc12 731078416 NHMNFJRWBOFYFX-ZDUSSCGKSA-N 427.913 4.869 30 10 IJEE C#CCCNC(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 733287620 KEKIGQINYMYHFH-UHFFFAOYSA-N 447.004 4.556 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(COc3ccccc3)cc2)c1 733802798 CTBULUDWWKQVKN-HSZRJFAPSA-N 429.520 4.946 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cccc1C 742212799 ZOSPQJZXALDZOP-HXUWFJFHSA-N 437.540 4.816 30 10 IJEE COc1ccc(-c2nc(SCc3ncc(-c4ccc(C)cc4)o3)nc(O)c2C#N)cc1 742452151 HOWNPJKBRCDRMP-UHFFFAOYSA-N 430.489 4.985 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1C#N 747288077 GNIWFEINRVBSLP-UHFFFAOYSA-N 436.512 4.576 30 10 IJEE C=C(C)CN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 777464473 WGWDYJYEQADBKF-NRFANRHFSA-N 432.549 4.712 30 10 IJEE Cc1ccc(N2C(=O)CC[C@H](C(=O)NCC3CCC(C#N)CC3)[C@@H]2c2cccs2)cc1 799385952 LMHNOGZSVBVTEH-LIMIOWLHSA-N 435.593 4.987 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 800781269 BXJUXTDDKUWJIZ-UHFFFAOYSA-N 431.968 4.526 30 10 IJEE O=c1c(C(F)(F)F)cc(C2CC2)nn1CN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 800861902 BWKHQYPNEUGQMZ-GOSISDBHSA-N 449.370 4.687 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1ccc(Cl)cc1 811944273 BNHYPEFBGAFXBX-OAHLLOKOSA-N 439.224 4.697 30 10 IJEE CO/C=C/C(=O)[C@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1081829599 UGKGVXHSBYBMPT-RKJOKNCFSA-N 430.585 4.540 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1)Nc1ccccc1Cl 1084573164 JEWYFHJNJMSBMR-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(OC)c1)c1ccc2c(c1)OCCO2 1124425951 MOUVAWJBADXTHQ-UHFFFAOYSA-N 431.488 4.878 30 10 IJEE N#Cc1ccc(COC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)nc1 1128103238 BBLGJRYSOSUOPW-UHFFFAOYSA-N 428.879 4.875 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)c2)cc1 1128546071 FGCSZTGVTQOXFH-UHFFFAOYSA-N 442.906 4.838 30 10 IJEE Cn1cc(C(=O)OCc2cc(Br)cc(C#N)c2)c(-c2ccccc2Cl)n1 1128565983 ADGFKEHWOJMKOP-UHFFFAOYSA-N 430.689 4.732 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)N2CCc3cc(C#N)ccc32)[C@@H]1c1ccc(Cl)c(F)c1 1129758392 BZGUQKKXDWJRGY-VGSWGCGISA-N 439.918 4.628 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)cc1OC 1131723674 BEIDJQQDIUBZQH-BHMZLHOFSA-N 442.943 4.790 30 10 IJEE C=CC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O)c1ccncc1 1136820100 LXPMECYGCMMVFP-OAHLLOKOSA-N 436.821 4.692 30 10 IJEE C=C(CC)C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 1141356938 YNCPGMZSUBARMM-UHFFFAOYSA-N 441.336 4.554 30 10 IJEE C=CCn1c(SCC(=O)c2cscn2)nc2scc(-c3ccccc3)c2c1=O 1164598815 GQPYJCJNOMZWSK-UHFFFAOYSA-N 425.560 4.743 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)CCc3nccs3)c2C#N)C1 1168222321 GYGHOWICHFAIHI-HNNXBMFYSA-N 430.643 4.730 30 10 IJEE C=CCn1c(SCc2cc3c(cc2Cl)OCCO3)nc2sc(C)c(C)c2c1=O 1188225712 LOMXFEDGQVBPDZ-UHFFFAOYSA-N 434.970 4.978 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)OC)cc1 1214912079 LTJQRPGIWMIEAE-QFIPXVFZSA-N 449.551 4.563 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)cc(OC)c1OC 1221552257 KQYFKSLFEXJZHT-GOTSBHOMSA-N 438.568 4.615 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 1221721958 RUYHKZBKVWZMNN-NRFANRHFSA-N 432.992 4.818 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2Cl)CC1 1226798676 UXJGLVZFFBPDHB-IBGZPJMESA-N 440.813 4.990 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(c3ccc(Br)cc3)CC2)c1 1227996361 DJWABHYTFRFFRP-IBGZPJMESA-N 442.357 4.661 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1)c1ccccc1 1230624128 GCRPRJBZAZVBHG-QFIPXVFZSA-N 445.604 4.751 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2ccccc2Oc2cc(Cl)ccc2C)C1 1248677157 WAPRBZPSQQACJL-NRFANRHFSA-N 425.960 4.680 30 10 IJEE C#C[C@H](NC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 1252448033 FFEATQXSWWGHFR-GOTSBHOMSA-N 448.954 4.600 30 10 IJEE C=CCc1cc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc(OC)c1OC 1264960893 HAENIUIHPRNANW-QFIPXVFZSA-N 442.987 4.870 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1CC 1286291271 WHVJTFXNNPIQBP-UFYCRDLUSA-N 446.599 4.520 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1286315306 WFGPPDYQUDLISP-VAMGGRTRSA-N 431.625 4.725 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC1CC1 1286317321 KUMQGYXQLBVEKG-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC1(C)C 1286421471 FDLCQPZTKQQSSV-HXUWFJFHSA-N 429.593 4.886 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnc(C)s2)CC1 1286638526 DRDKDENJLJFCMW-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@@H]2CCCCO2)CC1 1286654526 GVTGECQVKCRQKD-IBGZPJMESA-N 430.980 4.969 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCC(F)(F)C1 1286743452 HRWNZEXEUKYNJI-NFBKMPQASA-N 446.542 4.558 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCCC(F)(F)F 1286746856 GPYHFUHQGDBLKJ-KRWDZBQOSA-N 426.458 4.846 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CC)CC(=C)C 1286780710 ZEJHWQDFBXACDC-UHFFFAOYSA-N 429.977 4.518 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1291016399 DURXESFAGGZOGU-IEGUWTFLSA-N 427.980 4.934 30 10 IJEE CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)[C@H](C)CC#N)CC1 1292419806 GMNKXCCGEAOTHT-CQSZACIVSA-N 432.366 4.645 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nnc(C(C)(C)C)s1 1300282186 NLELOFLSRZKWNU-MRXNPFEDSA-N 436.629 4.898 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1300618201 AFUFUAIKZBVZKG-OYRHEFFESA-N 432.616 4.644 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCN1CCCC[C@H]1CC 1300797947 IKWMIOUAVMFERF-NTKDMRAZSA-N 426.008 4.855 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1300843406 AXZMGGPTEGXXCK-IEBWSBKVSA-N 438.373 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@H](C)C1 1300901217 NKSIICKKRQBHDV-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(NC(C)C)CC1 1301016932 DBFIOFXVWOZERP-SFHVURJKSA-N 448.011 4.536 30 10 IJEE C=CCCCCn1c(N2CCc3sccc3[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1301198078 AWYSJQGSQHXJSF-AUSIDOKSSA-N 430.618 4.862 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1N(C)CCCC1(C)C 1301394274 MHEFFCFKIIBIFI-HSZRJFAPSA-N 432.616 4.649 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(CC)CCOCC2)C1 1301537417 AKBSVSFRJDMLTA-DHIUTWEWSA-N 438.616 4.808 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCC(OC)CC2)C1 1301541832 DUGCGLZLWKODRI-JITJBCMDSA-N 430.980 4.585 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)c2nccs2)C1 1301542004 HSKLEMFARLAVRB-YJBOKZPZSA-N 429.977 4.640 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301601930 KAKRKVBRUANMSZ-JKSUJKDBSA-N 436.984 4.520 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2nc3cc(Cl)ccc3s2)o1 1304293224 CBAVTXJBFMOFEN-GFCCVEGCSA-N 426.933 4.896 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(C)C)C1)OC 1305358057 FRBWBLRTXQZRRI-XKCSPQBFSA-N 439.604 4.662 30 10 IJEE CC(C)(C)OC(=O)c1cccc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 1307735609 GNZGYGVBZQCEPE-QFIPXVFZSA-N 425.960 4.678 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1OC 1308332768 DCXBEYNXFXBFOV-TZIWHRDSSA-N 449.364 4.697 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 1308564811 OGJVAGBXQDUTJG-KRWDZBQOSA-N 447.804 4.993 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 1309806955 HGJRRWNGLITFLQ-KRWDZBQOSA-N 428.432 4.990 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc2[C@@H]1C 1358936702 VGIAPRNOLUAQPD-UGKGYDQZSA-N 449.599 4.887 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1oc(CCC)nc1C 1359014556 NGKIMGFVIXEZAG-UHFFFAOYSA-N 444.004 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCc1nccs1 1359111247 SSOQFWNMHJJLFV-UHFFFAOYSA-N 433.585 4.623 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1359119122 WBHNCFPLERQUFK-HUUCEWRRSA-N 439.423 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2Cc2csc(COC)n2)CC1 1359177048 YNPKPHIBSHIDMM-UHFFFAOYSA-N 429.977 4.652 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@H]1N(C)CCCC1(C)C 1359260571 ISLBYDJADQEGRF-JOCHJYFZSA-N 425.596 4.998 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC 1359263231 VKQURWPSSFODOL-UHFFFAOYSA-N 448.596 4.900 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1359290930 WSMDRBXTFIYPDM-MISYRCLQSA-N 430.618 4.630 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359344697 GKTRNJUXMOLYAY-OAQYLSRUSA-N 430.593 4.647 30 10 IJEE C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N)c1nccs1 1360583639 HFJBUQOJIISRBL-HUUCEWRRSA-N 430.965 4.509 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCS1 1360766764 CJRZOOSXWKGRFX-AEFFLSMTSA-N 429.565 4.583 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)c1 1436725889 DLRZXADUQNJQBQ-FQEVSTJZSA-N 437.927 4.621 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)cc(OC)c1OC 1436987430 FNILBKMBNAYBTB-UHFFFAOYSA-N 446.429 4.797 30 10 IJEE CCOC(=O)[C@](C)(CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 1459029083 CEGCLUQNQWGFMU-AREMUKBSSA-N 446.478 4.740 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(OC)c(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1 1465776975 ZSJTXSNOTUAEFM-KRWDZBQOSA-N 446.433 4.519 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)cc1 1468165852 WRLOQLGIKCRWMA-UHFFFAOYSA-N 427.529 4.797 30 10 IJEE C=CC[C@H](NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1)c1ccncc1 1468883568 DERGQOOZVSMZRE-NRFANRHFSA-N 444.373 4.852 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCCN(c4cccc(F)c4)C3)c2)s1 1477868310 IATLXZRWSSCDDC-HXUWFJFHSA-N 434.540 4.894 30 10 IJEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1499802100 HEQARVXFWOIPMD-WAYWQWQTSA-N 445.552 4.520 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2ccc(Cl)cc2)n1CCCC(F)(F)F 1505324485 DBZYOCXNRVFVAP-UHFFFAOYSA-N 425.886 4.995 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1507676477 MGAQZEVJBYPXDJ-SQJMNOBHSA-N 436.625 4.689 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCCC(C)(C)C 1507699075 AYSFTDDXKJEUDP-UHFFFAOYSA-N 448.546 4.531 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC1CCC(OC)CC1 1507701586 LNLOWDDVJORQPQ-SDVLMSEASA-N 440.563 4.504 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507703244 RXDVJWAXPLZHQP-WZYRSQIMSA-N 436.600 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1cccnc1)C(C)C 1507771898 IPWHASYZBFQFEW-ZEQKJWHPSA-N 447.558 4.823 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC(C)=C(Br)C1 1507794553 HZNHSSVGPWUWLJ-AZUAARDMSA-N 443.389 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507798876 XKYLSTSZMXXAJD-LFGUQSLTSA-N 434.506 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)[C@H](C)c1ccco1 1507811350 QAPYHFBWHKEMLU-PNCHPQGNSA-N 440.519 4.768 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1507827257 CNYWDJMWAQKCKZ-IAQYHMDHSA-N 435.277 4.984 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1507846417 LEOYKUSBNUFFLW-KRWDZBQOSA-N 426.561 4.786 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cccs2)CC1 1507857007 HGTGYRILJZMSPD-LJQANCHMSA-N 428.005 4.961 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)CC)CC1 1507907046 QKGVKODRGUCKPH-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1507942528 RVZCZYKJKUMYCZ-HSZRJFAPSA-N 433.604 4.577 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCOc1cccc(C(F)(F)F)n1 1507973550 ISARPZSZMJUHSW-UHFFFAOYSA-N 431.462 4.623 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CC1(OC)CCCCC1 1508015220 NWCVXZFZWBRPSN-UHFFFAOYSA-N 448.409 4.574 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1Cc1cc(C)nc(N2CCCC2)c1 1508022243 YIQIXWSWKRSVJV-UHFFFAOYSA-N 444.627 4.989 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@](C)(O)C(C)C 1508025777 BYYLHRALSNCWHO-RUZDIDTESA-N 433.556 4.662 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)CC#N 1509096029 DNEYDMARTWAZOO-XQFWAAQXSA-N 448.571 4.790 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@H]1C[C@@H]1C 1509301935 FKOIBPCKOFWNHU-ZCNNSNEGSA-N 444.624 4.740 30 10 IJEE CCOc1ccccc1[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)NC(C)=O 1518355238 BJHLUUUSNGWJAI-HSZRJFAPSA-N 443.503 4.955 30 10 IJEE C#CC[C@]1(C(=O)Nc2nnc(-c3ccc(C)cc3C)s2)CCCN1C(=O)OC(C)(C)C 1518677099 ABMDZLQCANWTPH-HSZRJFAPSA-N 440.569 4.553 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(F)c(I)c2)C(F)(F)F)cc1 1521343418 CUGVEPMEUVYHSX-OAHLLOKOSA-N 448.153 4.872 30 10 IJEE CC(C)OC[C@H](OC(=O)COc1cccc(Br)c1C#N)c1cccc(F)c1 1523544584 FCMLXCRAGIZTMV-IBGZPJMESA-N 436.277 4.548 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cc(Br)cc(I)c1C 1526896353 VMNKTJSOUIMYCT-JTQLQIEISA-N 436.131 4.837 30 10 IJEE N#Cc1ccccc1N(C(=O)c1ccc(Cn2cc(Br)cn2)s1)C1CCC1 1528686366 DOBORLRSVQUJBY-UHFFFAOYSA-N 441.354 4.826 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CCOc1ccccc1I 1531085637 MBVSDHYJFYBUFH-UHFFFAOYSA-N 427.326 4.655 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCCc2ccc(C(C)(C)C)cc2)nnc1-c1ccco1 1533640242 HJFBQQWBXOFZFW-UHFFFAOYSA-N 438.597 4.863 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1537397989 DAIWFSUUGURGBO-SFHVURJKSA-N 439.353 4.506 30 10 IJEE C=CC[C@@H](C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1538496385 DNYJGZCCGMXAKX-HBMCJLEFSA-N 448.460 4.549 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CCCC1(C)C 1538658108 VHGLNEIVCYWJBU-JOCHJYFZSA-N 432.630 4.847 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1539141422 GQJZLEUKNVSCNC-OXQOHEQNSA-N 434.506 4.664 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(Cl)nc1 1539343611 NOOHPYGCCMTIJT-OAHLLOKOSA-N 430.339 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCCCSC 1539540020 CVRGONOILRLJCT-GOSISDBHSA-N 439.448 4.904 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)CC 1539617066 UJWLTURCYKZARR-AGHHOFFYSA-N 439.604 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1C 1539623919 PDLCHVFHDVDBCD-UNMCSNQZSA-N 437.975 4.920 30 10 IJEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1539758350 KQSUOWMVUPIUFQ-UHFFFAOYSA-N 438.616 4.811 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)c2ccco2)CC1 1539828396 JOZSZQPAWPBOOV-UZUQRXQVSA-N 442.947 4.729 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539829010 RYRVIROQXJEWRB-NLWGTHIKSA-N 430.980 4.779 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 1539931346 KHUYSBULXRVTEC-ZLNRFVROSA-N 435.616 4.793 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1539974697 FIWDRRHROZAWQR-VXKWHMMOSA-N 442.629 4.619 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1540088583 NNEAQJFFMOTVBU-NRFANRHFSA-N 437.613 4.931 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CCC)C1CC1 1540107281 JSFWINPCIWSYNI-WSTZPKSXSA-N 429.609 4.909 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)OC 1540141857 FTPSGNLJKHMPPS-KRWDZBQOSA-N 435.553 4.889 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1ccc(-n2cccn2)cc1 1540148025 ZJQYKMXYLNFXGG-UHFFFAOYSA-N 432.597 4.965 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1540177691 TUZXQEAFOZMEHZ-FGZHOGPDSA-N 439.648 4.524 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1540907834 KDIPBKGHUDZYPC-UZLBHIALSA-N 427.618 4.691 30 10 IJEE COc1cc(C#N)ccc1C(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 1544578528 BPTSLAJFKDVKFJ-UHFFFAOYSA-N 425.410 4.823 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cc1Br 1544620169 AOCOOZVSTZMVFN-UHFFFAOYSA-N 440.124 4.591 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)c1ccc(C(F)(F)F)cc1 1546025374 IJOWTHKDMZLLKQ-KRWDZBQOSA-N 447.482 4.678 30 10 IJEE COC(=O)c1ccc(C(F)(F)F)nc1SCc1ccc(Br)cc1C#N 1559398697 FDXAWCHNUPSSKY-UHFFFAOYSA-N 431.233 4.813 30 10 IJEE C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1561477384 DICWICIGHAXFKO-NSHDSACASA-N 436.377 4.678 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCCN1CCCC 1563949303 BISXADPVWWPTJZ-IBGZPJMESA-N 440.401 4.940 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)c1scc(Br)c1Br 1583240193 HFHVWPSKWDBNDS-QMMMGPOBSA-N 430.121 4.816 30 10 IJEE Cc1cc(C#N)cc(NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)c1 1584929906 GMWQULMFAZBWRI-UHFFFAOYSA-N 431.305 4.746 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)[C@H](C)CC 1587562924 VFWOPQWJSSQNPS-XMODTWTHSA-N 447.023 4.943 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1588292912 GKZRZXAIGWFBIH-FQEVSTJZSA-N 444.526 4.636 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H]1CC 1589008514 VUECHHGGKUMWLL-KBPBESRZSA-N 439.448 4.760 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(CC(C)C)C(C)C 1589569620 PQALFIHEXFJSFF-XXBNENTESA-N 430.568 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1589694158 AOPOURLYJJRIKU-GBXCKJPGSA-N 442.629 4.619 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1593718332 UXJVCUANJFRIJM-HOTGVXAUSA-N 449.368 4.674 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1csc(CC)n1 1593914269 GAHVFVJNDGHIBW-UHFFFAOYSA-N 438.384 4.918 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCCOc2ccc(C)cc2)CC1 1594247050 FPOIEJHLWGQTII-UHFFFAOYSA-N 431.584 4.834 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(F)c(F)c2F)CC1 1594409628 YJMNIGSDZQHPKB-UHFFFAOYSA-N 432.515 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1594484779 WNORAXIPSULJBH-SFHVURJKSA-N 442.608 4.711 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1594600496 XCTPDQPANCOISQ-UHFFFAOYSA-N 445.011 4.585 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1594624955 CSRQJBORTJONMS-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Br)o1 1594635331 UFURWSXKEJNWBJ-UHFFFAOYSA-N 430.350 4.612 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccco1 1594668516 HSPYOHPEQDETJB-IBGZPJMESA-N 439.947 4.762 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN1C1CCCCC1 1595014360 XMWPIJFHYITBNU-BHDDXSALSA-N 429.653 4.616 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1595033941 TUXRVYZKZOKCON-GOSISDBHSA-N 445.558 4.822 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccccc1F 1595234243 LYKBQRPOOKWOGA-WOIUINJBSA-N 442.579 4.982 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCC2(C)C)C1 1595752880 DGNCPOMLDRMOTQ-PLACYPQZSA-N 430.637 4.804 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@H](SC)C1 1595854717 KUKSQJCVDRWXJN-SFHVURJKSA-N 448.658 4.603 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2ccc(CC)cc2)CC1 1598260548 VQJLFTPDBBVGQS-UHFFFAOYSA-N 432.486 4.791 30 10 IJEE CC(=O)c1ccc(Br)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N 1598349190 AHYSHOAWEHRKTA-UHFFFAOYSA-N 432.343 4.574 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(Cn2cc(Br)cn2)on1)c1ccccc1 1598379672 KTPHLWPEQWSUKL-GOSISDBHSA-N 429.318 4.509 30 10 IJEE C=C(C)CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 1611341533 MQTDUQYXCGDWNO-UHFFFAOYSA-N 427.353 4.799 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c(Br)cccc21 1611454011 XKZMDYFZWCKMLF-ROUUACIJSA-N 437.378 4.802 30 10 IJEE C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1)Sc1ccccc1 1611591038 FZYGQINKNLMCOW-DVECYGJZSA-N 432.597 4.575 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1612619716 CILUEEIFWJDEIL-OAGGEKHMSA-N 436.585 4.556 30 10 IJEE C[C@H]1C[C@H](CCn2c(N3CCC(C#N)CC3)nnc2C(C)(C)C)CN1Cc1ccccc1 1612678992 AGJIHVWMXWZZQH-REWPJTCUSA-N 434.632 4.616 30 10 IJEE C[C@]12CC/C(=N/OCC(=O)NCc3ccco3)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 1614467920 VUKILELVYWEYTE-AWEAVHLOSA-N 440.584 4.592 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 1616735191 SQSGPFUVJFDHTQ-UHFFFAOYSA-N 431.863 4.991 30 10 IJEE N#Cc1ccc(F)c(NC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1 1625454580 BBADBLGDELPLPY-UHFFFAOYSA-N 428.265 4.543 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC 1626343038 VRPTWMYGDGMQKB-UHFFFAOYSA-N 441.531 4.930 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1 1626530638 GARMEZQIDZVLBH-FQEVSTJZSA-N 431.517 4.560 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCc2c(Br)ccc(Cl)c2C1 1631772437 NAFROMMDRBEPAQ-UHFFFAOYSA-N 435.749 4.935 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccc(F)c(F)c1 1634453024 FXGMRDIVASPYPR-QUCCMNQESA-N 448.311 4.994 30 10 IJEE C=CC1(CC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)CN(C(=O)OC(C)(C)C)C1 1635042696 PTEXNAZWVZBLTM-UHFFFAOYSA-N 437.540 4.817 30 10 IJEE C=CCC1(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)CCCC1 1641559524 AOQLXWWNTTVKKN-UHFFFAOYSA-N 442.581 4.671 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 1641582542 IPGLVSOBAJDFSK-OAQYLSRUSA-N 446.576 4.553 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(c2ccccc2Cl)CC1 1645528722 AAKMNFZGPSFUGN-SFHVURJKSA-N 443.016 4.743 30 10 IJEE C=CCn1c(Sc2nc(C(=O)OCC)cc(C(C)C)n2)nnc1-c1ccc(F)cc1 1649988687 KIDSXKUKEOGQCU-UHFFFAOYSA-N 427.505 4.512 30 10 IJEE CC1(C#N)CCC(NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 1651208189 GWCWLBPLDAPKHN-UHFFFAOYSA-N 440.632 4.608 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 1652167368 QFBUSOKUSGIEEC-SFHVURJKSA-N 435.530 4.641 30 10 IJEE Cc1ccc2nc(NC(=O)CN(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)sc2c1 1653969505 AQAYDTUFVKURSF-AWEZNQCLSA-N 432.471 4.976 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 1654476163 BKLFSDVHVRSKGZ-OYHNWAKOSA-N 429.923 4.864 30 10 IJEE C=CCCC1(CNS(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)CCCC1 1665005524 DFVALCWKKPNRCV-QFIPXVFZSA-N 448.629 4.624 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 1667497397 MMCXWSZPMYQAMG-UHFFFAOYSA-N 433.040 4.630 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 1673285944 SQEKHSFXPGAVPK-LJQANCHMSA-N 444.457 4.828 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc(OC)c1OC 1677966793 NFRSTGKRMGXHSI-YADHBBJMSA-N 446.975 4.643 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O 1681333399 BDUQMMFFBQYWGX-ILBGXUMGSA-N 426.532 4.619 30 10 IJEE C#CCN(C(=O)N[C@H](CF)c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1683571398 WVDTUVOTFPPVRQ-RTBURBONSA-N 449.295 4.767 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1CCC[C@H](C)C1 1689831686 PLMVIGLXRTVXNA-FCHUYYIVSA-N 433.644 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CC)CCOCC1 1689840439 ZJTFDXXHNNQWAY-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[C@H]1CCCCO1 1690028139 LQNJRQXVBBBMHI-HXUWFJFHSA-N 443.016 4.646 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](CC)N2CCCC2)CC1 1690364403 PVAILALHGVKZJK-PMACEKPBSA-N 427.568 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3ccc(F)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1690439903 SFPONCIFOXJHIZ-VWLOTQADSA-N 442.579 4.623 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=C(COC)CC1 1690491432 BCWLQQMJIIYQND-UHFFFAOYSA-N 437.371 4.913 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccco1 1690571905 NAAHGDAQDRAADB-XMMPIXPASA-N 426.536 4.699 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@H]1CC[C@]2(CCOC2)O1 1690572294 YJKLVKRJMGIRCU-CJFMBICVSA-N 442.579 4.537 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N(C)c1ccccc1 1690600745 CAKJEIBPWGMRMJ-MDNUFGMLSA-N 437.632 4.900 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCO[C@@H](C)C1 1690605839 ZIVIZGRPMLUGHC-ROUUACIJSA-N 441.963 4.637 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1(OC)CCC(C)CC1 1690615901 WENCCDJHKGETTH-UHFFFAOYSA-N 449.599 4.727 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(F)F)C1 1690682172 GYTHSWYRNSANGF-LJQANCHMSA-N 439.510 4.743 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCCS2)C1 1690711714 HBFGCBLUCJGCLL-LEWJYISDSA-N 442.629 4.541 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nc(C)c(C)s1 1694244788 BQQKSTJAKMPIAQ-AUSIDOKSSA-N 438.576 4.578 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1705510781 YDZXRUXTRQPBMI-VQTJNVASSA-N 440.588 4.624 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1705558158 LOFOZXPVHBCZSL-SFTDATJTSA-N 439.673 4.705 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1705724664 FYERIFLLDMOXSH-IBGZPJMESA-N 431.378 4.852 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705763423 VHFISGKVNCZFEB-CNNODRBYSA-N 426.536 4.695 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCc2c[nH]nc2C)CC1 1705763497 WTYUJMPMFWBUMD-NRFANRHFSA-N 434.588 4.856 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1705783298 AVPLVRKJEHMOBD-VWLOTQADSA-N 444.627 4.749 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C)C1 1705786857 ZJKOZCQPASISTJ-CQSZACIVSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1705793255 QVFULJGPCJBIAY-UHFFFAOYSA-N 430.959 4.634 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1CCSC(F)(F)F 1705857195 QQRNQOJAOXKNSN-UHFFFAOYSA-N 426.508 5.000 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CC[S@@](=O)C(C)(C)C 1705862561 OLUHNXZVBOYSSZ-SSEXGKCCSA-N 432.609 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(CCOCC)CCCC1 1722289720 RYPXTHXXHRYMJV-FQEVSTJZSA-N 433.600 4.882 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1CC 1722314059 HIXMDXDJADUJKK-SIKLNZKXSA-N 446.599 4.664 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccc(F)cc1 1722323684 WDHAFJZXEQQUEA-DNVCBOLYSA-N 444.461 4.881 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(CC#N)CC1 1722338948 OCXLNDAVTVRRLM-UHFFFAOYSA-N 439.991 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCc1nccs1 1722467455 BTVNXBPNGCNADS-JOCHJYFZSA-N 443.523 4.628 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C 1722502316 IDWRAOLJSNOTLT-ZJSXRUAMSA-N 426.605 4.937 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(CCCO)CC1)c1ccccc1 1722594350 JZCGJDBYHZXPKT-QHCPKHFHSA-N 433.600 4.632 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2C)C1 1722629406 QGYVUYCGZHSVBY-HXUWFJFHSA-N 437.613 4.529 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722629445 RGUAVVXMXDFFFG-KNQAVFIVSA-N 449.426 4.790 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCO[C@@H]1CCCC[C@@H]1C 1722672464 QZIASLNOLKPGNC-MZKRTTBSSA-N 438.572 4.564 30 10 IJEE CCOc1c(Cl)cc(Cn2c(-c3ccc(C)o3)nnc2N(C)[C@H](C)CC#N)cc1OC 1728832901 FHGZOZSMWQMVRO-CQSZACIVSA-N 443.935 4.694 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCOC(C)(C)C 1740678635 GAJCKYOKVMIXSK-UHFFFAOYSA-N 426.561 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OC)C(C)C 1740726962 VCVJYBSTZQLMHA-RGZWJVDOSA-N 426.630 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC=CCC1 1740754379 RWZXDZIBOGBPRM-YOEHRIQHSA-N 435.391 4.517 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1740770714 DEOBLUSZQFOCJK-HXUWFJFHSA-N 439.604 4.995 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740790681 VGOLDKHWQRLWFX-NRFANRHFSA-N 449.599 4.870 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccnc2OCCCC)CC1 1740827582 BUJLRDXSRCFLGI-UHFFFAOYSA-N 447.583 4.944 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](c2ccco2)N(C)C)CC1 1740827849 MUGJWUTUROMMQZ-NRFANRHFSA-N 435.572 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740845242 JFPRXEPJRCJQOM-AREMUKBSSA-N 438.616 4.884 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1)c1ccccc1 1740856545 UTIUHMCXHKDSES-GOTSBHOMSA-N 446.599 4.692 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1C 1740875385 BMNRKJYWMBTFLO-HXUWFJFHSA-N 443.592 4.897 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1740886731 QOCZMIWWUVKXFD-PXNSSMCTSA-N 444.626 4.551 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](OC)[C@@H](C)CC)C1CC1 1740906781 RGQIFKYQPWDDMI-HNAYVOBHSA-N 433.394 4.924 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1744935874 CNCLBNVAOZUOLK-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE CCO[C@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)C(C)C 1746638335 CHMDCHJEXCVZSV-OAQYLSRUSA-N 445.995 4.702 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CC)CCOCC1 1748649678 RUBYDUGLKHLBOA-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1748718907 QHJAZFJRCRCOSW-UHFFFAOYSA-N 445.592 4.653 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cscn1 1748736320 MQJWOPFDHPLWFJ-UHFFFAOYSA-N 430.581 4.859 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCC(F)(F)F 1748775764 UZNUBGCVWAQPQU-UHFFFAOYSA-N 435.675 4.773 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCC2(CCCCC2)O1 1748937277 DVADOBLLHVSBLJ-JOCHJYFZSA-N 436.600 4.761 30 10 IJEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1749040089 MBXAIFBSPNPHBE-SFHVURJKSA-N 431.565 4.574 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(C)ccc1F 1749133503 MLMIAKIMWJENFM-WMZHIEFXSA-N 440.588 4.996 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1749218412 OBDZSPJWQPVFCJ-QZTJIDSGSA-N 445.405 4.701 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC[C@@H](C)C2)CC1 1749303676 NDTQWPPZAFVOSX-UXHICEINSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCOC(C)(C)[C@H]1C 1749376065 PQWQZEJLNHLXFE-LJQANCHMSA-N 442.604 4.862 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1749483277 YIRDNMHYPGTZGZ-UHFFFAOYSA-N 434.588 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCN(C(C)C)C1 1760106042 JCTDLNCNDYFWNP-IRXDYDNUSA-N 434.415 4.830 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](C)OC(C)(C)C1 1760132316 HDFBNMVXMSNBJV-QZTJIDSGSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(C)C)C1 1760132369 HSUXAVXBCGNJFM-UYAOXDASSA-N 426.630 4.796 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CCC)CC1CC1 1760148866 OTZQCPLPOJCVJJ-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760150229 WJGIWRKVLPDURD-QGZVFWFLSA-N 442.350 4.718 30 10 IJEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1760161013 ULVINXOHOPFHRI-HKUYNNGSSA-N 447.505 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC[C@@H](O)C1 1760288374 AOBKLAMXEUNYAM-AVJFOWIRSA-N 436.600 4.578 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCCC[C@H](SC)C1 1760311483 RADCCLSQPCDKGJ-HNNXBMFYSA-N 427.437 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760316533 TYFOUDSWCYXDPK-QEXBRPHWSA-N 448.970 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@H](OC)C(F)(F)F 1760333584 ASTOJZIODBZGMJ-IBGZPJMESA-N 435.494 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1cc(Cl)ccc1OC(F)F 1760338904 SVVAKVNWFBHQGJ-UHFFFAOYSA-N 447.917 4.969 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@@H]1C 1760434627 HKPOFARFYZMAJJ-ZDUSSCGKSA-N 425.371 4.755 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760434768 MDPYSBJUAWUWSB-OXJNMPFZSA-N 445.405 4.986 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1Cc1nc(C)cs1)C1CC1 1760471587 AIUQGXRJZYYDPZ-UHFFFAOYSA-N 448.365 4.815 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCCC1 1760688366 GQHSKVOBJKUTBN-OAHLLOKOSA-N 428.993 4.505 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CCS1 1765246233 FBFCKHVODWJKPK-MRXNPFEDSA-N 430.002 4.912 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)C1 1766479862 AOPPATJWXFXOCK-AZUAARDMSA-N 435.597 4.620 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccn2)C1 1766795026 FBXBMPVBLXJAJA-QFIPXVFZSA-N 432.597 4.566 30 10 IJEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 1768785073 DSAXVUSTXROVCI-IFMALSPDSA-N 437.588 4.535 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(O)cc2)cc1C 1862400694 KNRHCQNVVVOEHV-JOCHJYFZSA-N 449.528 4.592 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1C(=O)O 1862434190 UCDOEDHUCKNURG-IBGZPJMESA-N 427.884 4.663 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862490932 HTQNBCBHIZWDAB-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 1862524694 LHYQLHSAIVTQPG-KPZWWZAWSA-N 432.289 4.965 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(C)(C)C)cc1 1862548832 ALJPBMNXNWTBIH-BXKMTCNYSA-N 447.575 4.822 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Br)cc1 1862566097 NYZRCMZIZYBHEI-LJQANCHMSA-N 443.341 4.800 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1c(F)cccc1Cl 1862573599 GOSXOXWZZYDKLO-YUNKPMOVSA-N 447.890 4.873 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1862582554 HLYYZJXAHAXRCQ-KRWDZBQOSA-N 434.275 4.678 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Cl 1862594544 FUJMGJSOASEPCW-NRFANRHFSA-N 443.927 4.831 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Cl)cc2)C1=O 1863173739 XAKYLHOUUIRYEJ-UHFFFAOYSA-N 437.927 4.610 30 10 IJEE C=CCN1C(=O)C(NC23CC4CC(CC(C4)C2)C3)=C(c2cc(Cl)ccc2Cl)C1=O 1863727397 PVONDSBXDHJHSI-UHFFFAOYSA-N 431.363 4.818 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccccc1C#N 1866650154 HGLWKVIDCWFNIJ-JOCHJYFZSA-N 444.535 4.686 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3cc4cccc(C)c4nc32)n1 1868246709 PLCPIPQABRJILM-UHFFFAOYSA-N 436.519 4.832 30 10 IJEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870107204 YBZSBBPCMSBKTO-UHFFFAOYSA-N 425.536 4.896 30 10 IJEE CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)cc1 1870145443 AFLYSEYYWAFACW-CYBMUJFWSA-N 444.322 4.975 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(C)ccc2C)cc1OCC 1870153122 CRFYHJJKOUBJJK-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CSc1ccccn1 1870185592 DQECGLPOFQSSJP-UHFFFAOYSA-N 431.602 4.540 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(C)c2)c(=O)cc1CN1CCN(C)CC1 1870620650 KMMOPNVSRXQPHZ-UHFFFAOYSA-N 439.644 4.844 30 10 IJEE C=CCOc1cn(CCCN(C)C)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870811001 BTDCCZHKFYXCCQ-UHFFFAOYSA-N 443.897 4.649 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1871251294 WUOAZVCYFWHXTQ-UHFFFAOYSA-N 444.535 4.670 30 10 IJEE CCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H]2CCCO2)cc1 1871252312 UWNRSXOCRAZHBY-VWLOTQADSA-N 443.547 4.652 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)c1 1871387327 PHACXSMKLIDEIA-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871389683 KAJYDZSZPPULIX-UCQKPKSFSA-N 443.411 4.995 30 10 IJEE CCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1Br)C2=O 1871418883 SCQHJZHYIYMUBK-ZDLGFXPLSA-N 431.282 4.706 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)Nc1nc2ccccc2s1 1871442126 ANBDVEWTFAROBM-NDENLUEZSA-N 428.469 4.930 30 10 IJEE CCCCCCCCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871715085 KDCGTCJIUWVOND-UHFFFAOYSA-N 434.588 4.573 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cc(C)ccc1C 1872007388 SDLQSGLXPPNOSL-IBGZPJMESA-N 428.598 4.805 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872099814 SULMIZYPVXVXSX-HTAPYJJXSA-N 432.561 4.618 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872146608 RNUPIAKIHMEDDA-JOCHJYFZSA-N 427.570 4.518 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873647384 XOGMKWMALUMXLD-ROUUACIJSA-N 433.556 4.607 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1873792744 ORMXOJMPXNZUMJ-BRJLIKDPSA-N 439.302 4.677 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)OC)cc1 1874270073 DDNGFLDWOBMHFT-YZSQISJMSA-N 442.544 4.969 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccc[nH]2)c1 1874420425 LTNFIFXTNDVFDF-FSJBWODESA-N 436.566 4.565 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccc[nH]2)c1 1874421921 LJTUDFBCPHTCKO-FSJBWODESA-N 436.566 4.565 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)cc1 1874445836 MIDDZLZUGFFNHJ-PGLVWIQMSA-N 425.533 4.509 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)c(OC)c1 1874459601 VRUXTFKKFUCNAY-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)c1 1874480923 HSKVDRZSTRGDSW-BUVRLJJBSA-N 437.569 4.587 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2O)c1C 1874483267 MXLWYBLSPMETBK-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccc(OCC)c1 1874485511 ZKLIUGAUEDUCSA-LFVJCYFKSA-N 445.633 4.597 30 10 IJEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(SCCCO)nnc2C2CCC2)cc1 1874497061 RUSKVVSDYQAULR-NLRVBDNBSA-N 449.624 4.929 30 10 IJEE C=CCSc1nnc(COC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874502403 GHVWNYHXBRLCIN-YDZHTSKRSA-N 428.945 4.817 30 10 IJEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 1874524262 GGIAXUWWILERJT-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCOc1cc(/C=N/n2cnnc2SCc2cccc(C)c2)cc(Br)c1O 1874536742 SUIBECLOWPQNKF-LSHDLFTRSA-N 447.358 4.628 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2C(C)(C)C)cc1OCc1ccc(Cl)cc1 1874559538 XLYVVSDQIORZML-FSJBWODESA-N 430.961 4.988 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2Cl)cc1 1874568610 HWVBMHQKMOFYBH-HZHRSRAPSA-N 430.961 4.903 30 10 IJEE CCc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1 1874572239 CMIBWHGAOIQDMW-WUKNDPDISA-N 429.516 4.849 30 10 IJEE COc1cc(C(=O)/C=C/c2cccc(OCC(=O)OCC(C)C)c2)c(OC)cc1Cl 1874598896 LCPPDEURGYZPIE-CMDGGOBGSA-N 432.900 4.831 30 10 IJEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1 1874605352 XEVPJFZJJPSHPX-RVDMUPIBSA-N 429.516 4.849 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COC)c2)cc1OCCC 1874699931 UDXLMGAOEISECV-JXMROGBWSA-N 442.508 4.721 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(C)c2)CSc2nnc(CCOC)n21 1874899230 YSYKZEMOYYGTPT-HXUWFJFHSA-N 448.608 4.977 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CCC2 1880067674 YVMLVQBQGBGQTK-DEOSSOPVSA-N 427.545 4.859 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNCc1cc(Br)ccc1OC(F)F 1888161038 VYGNGLWWTYWJEB-UHFFFAOYSA-N 435.309 4.611 30 10 IJEE CN(C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1ccccc1C#N 1902272211 SVDCFQHHSQGXHQ-UHFFFAOYSA-N 437.499 4.592 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1937854656 MXQYYQUXKNSFQF-DZGCQCFKSA-N 446.183 4.518 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)cccc1Br 1986044222 PHQZQYLMIMEXLG-HIFRSBDPSA-N 448.199 4.942 30 10 IJEE COCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2035393958 CHAZHSJYVKCRRC-UHFFFAOYSA-N 449.523 4.533 30 10 IJEE CC(C)(C)OC(=O)N(CCCO)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038913988 PZCDOFSXBFONBC-SANMLTNESA-N 441.616 4.867 30 10 IJEE C=CCC1([C@@H](O)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047983815 AIJDVWUWMRSDEI-INIZCTEOSA-N 430.770 4.819 30 10 IJEE Fc1ccc(Cn2nc(I)cc2C(F)(F)F)cc1C(F)(F)F 2079172983 HCZYEKJWAHYWGM-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE CCOc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080113254 MNOGJJBLQQWXNV-AWEZNQCLSA-N 432.240 4.871 30 10 IJEE O=C(C1=Cc2ccccc2C1)c1cc(Br)ccc1I 2088987966 QBUSNMSUVNIQHU-UHFFFAOYSA-N 425.063 4.876 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cccc1Br 2116837903 BGQJUSPLSMYBFF-WMZOPIPTSA-N 427.358 4.936 30 10 IJEE C=CCc1cc(N)ccc1Oc1ncc(I)cc1Br 2133385386 RBRONXXBPPBUPM-UHFFFAOYSA-N 431.071 4.552 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNc2ccc(C#N)cc2Br)C1 2163252862 DFXYRGLJUBPOBK-CHWSQXEVSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC[C@H](Nc3cc(Br)cnc3C#N)C2)CC1 2167612258 GJSUTTFGDXAWAR-HNNXBMFYSA-N 435.366 4.697 30 10 IJEE C#Cc1ccccc1CNC(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2180050179 CONJXGLBFMQMDL-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180904298 VVEBCBCAEBJMOC-KGLIPLIRSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)C(C)(C)C1 2181108750 WNILCFXGMCUASR-CQSZACIVSA-N 436.350 4.542 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C)NCC 2213057555 ZMRDWIYDAPXEIE-FCHUYYIVSA-N 432.605 4.542 30 10 IJEE C=CCC1(Nc2ncc(C(F)(F)F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2232191928 NEJYJGGIOLAFQP-UHFFFAOYSA-N 436.272 4.840 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CCC 2232466261 LBTBAJKHRXVNFT-CRAIPNDOSA-N 443.430 4.956 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@H](C)CN1C(=O)OC(C)(C)C 2235723173 DRTVZNHNCRCQDV-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235725117 MZVBSQRNBMDGPP-OALUTQOASA-N 435.406 4.958 30 10 IJEE CCCN[C@@H](C#CC1CCCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2260978720 APEHDVXRWBFFEF-LOSJGSFVSA-N 441.660 4.964 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2261821640 WLFYILKYKBVEEK-NLFFAJNJSA-N 447.572 4.560 30 10 IJEE C=CCCC1(C(=O)Cc2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266233457 JARIBLZBNBIBAG-UHFFFAOYSA-N 426.326 4.903 30 10 IJEE C=CCCC1([C@H](N)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266320415 MEFYQYNNJXGBEA-MRXNPFEDSA-N 431.321 4.930 30 10 IJEE CC1(C)OB(c2cc(F)c(C(=O)N(Cc3ccccc3)CC3CCC3)cc2F)OC1(C)C 2267616480 UJVFHAJOHSVQTD-UHFFFAOYSA-N 441.327 4.707 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](O)C#Cc2ccc(Br)cc2)cs1 2278785734 ZDGSAJIZGMYCAA-BLLLJJGKSA-N 437.359 4.576 30 10 IJEE CC(C)(C)OC(=O)N1CCC(OCCCNc2c(Br)cccc2C#N)CC1 2285180638 JOIHOILYEGIMIC-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)SC(=Cc2ccc(C(C)C)cc2)C1=O 2293228244 KADZSSNGPVPJGN-UHFFFAOYSA-N 435.545 4.980 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2296227816 SKDSVEQLBBRLNS-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296266804 MHKBOGSDOAGOMC-OALUTQOASA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@H](O)C#Cc2ccc(Br)cc2)C1 2296273597 PPWIGHZKXYHLEB-RTBURBONSA-N 434.374 4.589 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C1CC1 2296299333 UFKKNRIUFMMCDV-UXHICEINSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 2296300017 BTNREAVNVPKSEM-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 2296308571 KCOQHXJSINAVBI-UUKMXZOPSA-N 435.406 4.862 30 10 IJEE CN(C(=O)OC(C)(C)C)C(C)(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317346214 FPAJALWLFAXFBU-BUHFOSPRSA-N 432.370 4.751 30 10 IJEE CCOC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1 2321988270 UNRZJBDZFXXSSB-UHFFFAOYSA-N 441.483 4.832 30 10 IJEE CCCCOc1ccccc1C=Nn1c(S)nnc1Cc1ccc(Br)cc1 2322238779 NLIJCNHARKMWNJ-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE Cc1cc(O)c(CN2CCC(O)CC2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2323999726 WPEFEZKKSDIETD-UHFFFAOYSA-N 434.319 4.580 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2324651719 DMCVNQMAUQHZQA-UHFFFAOYSA-N 435.476 4.618 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)cc1 2325235205 OXQDDOQTBILFNL-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1C 2325738566 JEYXGLZFGMGZRX-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1cccc(F)c1 2326272410 IOWFVRGEKLIAIS-UHFFFAOYSA-N 428.533 4.822 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326296223 YYFQATHWDGVNSR-UHFFFAOYSA-N 430.961 4.994 30 10 IJEE Cc1ccccc1C=Nn1c(CCc2cccc3ccccc23)nnc1SCCCO 2326618233 GSFGIBXXGYFOMR-UHFFFAOYSA-N 430.577 4.882 30 10 IJEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(C#N)cc2)cc1OC 2326660870 CVXVEHCSOCKRFX-UHFFFAOYSA-N 441.944 4.693 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2327674354 BIGDPPABEBIWKA-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Cl)cc1 2329787137 MPLLVMQOIFKXMA-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc(O)cc2O)cc1 2329966521 DXEOCDUGLLDPBP-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(C)cc1 2330050745 YAQQOWHHWGIJLW-IBGZPJMESA-N 435.597 4.581 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccco2)c1 2330645760 VWKYOMMGPZVODK-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cn(C)c2ccccc12 2330690194 ZLJCLLFRZXFWHF-UHFFFAOYSA-N 447.564 4.610 30 10 IJEE COC(=O)c1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1 2330850930 CBRKQFOPONAEES-UHFFFAOYSA-N 440.544 4.967 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 2331046535 OQMZFTWTFJCEAS-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2OC)c1 2331406430 LRPXQIDKJBUSRK-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(OC)c1 2331611864 QOGVPFVRHKUAOJ-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE CC[C@@H](NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338520049 VBHZFRSHGAGSFG-RCZVLFRGSA-N 434.433 4.549 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339606737 VHCDQMFKBSFTRL-IBGZPJMESA-N 444.381 4.798 30 10 IJEE Cc1cc(CNc2ccccc2I)ccc1B1OC(C)(C)C(C)(C)O1 2343589198 UHVQKOQXOUMVOE-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE O=C(O)CO[C@H](C#Cc1cccs1)c1cc(Br)c(Br)s1 2363543215 BSURUTBIYZSZSA-SNVBAGLBSA-N 436.146 4.529 30 10 IJEE CC1(C)CC(=O)C2=C(C1)N=C1N=C(SCc3ccccc3)NN1[C@@H]2c1cccc(O)c1 17098066 YRANLEPSHPAEQV-OAQYLSRUSA-N 432.549 4.556 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)Nc1ccc(F)cc1 20905582 WWVIADFVBATDBW-ZVHZXABRSA-N 434.500 4.664 30 10 IJEE COC(=O)c1ccc(NC(=S)C2=C(NC3Cc4ccccc4C3)CC(C)(C)CC2=O)cc1 21344837 DPMPGMURIUVFQT-UHFFFAOYSA-N 448.588 4.613 30 10 IJEE COc1cc(OC)c([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3onc(C)c32)cc1OC 21660402 SVGYHWGMEHXASE-UPCLLVRISA-N 446.503 4.967 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(F)c(F)c2)Nc2ccc(C)cc2)c(C)n1 32972892 HULKWQPGONQAPC-UHFFFAOYSA-N 425.483 4.586 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)cc1 41646112 WXLFEWJOKIHINU-QRVIBDJDSA-N 441.483 4.750 30 10 IJEE COC(=O)c1cccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2ccccn2)c1 46126168 UVUHEVAVPSBMBM-UHFFFAOYSA-N 444.535 4.564 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 63403484 VPJYQJMNTFGAOK-UHFFFAOYSA-N 443.931 4.694 30 10 IJEE Cc1cccc(N/C=C2\C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c1C 105337800 OBCCMZALTYMSPG-UDWIEESQSA-N 442.537 4.990 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2O)cc1 169923760 WUITUILGBFQKKK-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(OC)c2)cc1 169928551 FFWQMPREMHMWQS-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)c1 169968029 PHTAWGRLDMPXOS-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 169988404 FRXBICFUAWTUNQ-HXUWFJFHSA-N 439.439 4.744 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccs2)cc1C 169990008 ALLJIAAYXWDWEQ-HXUWFJFHSA-N 445.500 4.724 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC(C)C)cc1 170027782 XFJSPIXOFIICNH-HSZRJFAPSA-N 449.503 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 170098145 DFHGRAZUFAWINI-GOSISDBHSA-N 447.428 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 170248189 NJCSKKJJWJRKSD-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccccc1F 170252766 JLNQIVPLTFJRRJ-SFHVURJKSA-N 432.289 4.885 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2c[nH]c3ccccc23)c1 170254485 TYCMRDDXTLCWOT-QHCPKHFHSA-N 448.519 4.572 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(F)cc1 170271157 OWUKDBMHFYBSJN-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)cc1OC 170285907 XZLQILKWRWWGCH-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)c(OC)c1 170319592 NXWNORMWDXPRBB-LJQANCHMSA-N 427.522 4.595 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(O)cc3)sc2cc1C 170451276 RHUGOZBICAWGLX-FQEVSTJZSA-N 446.484 4.995 30 10 IJEE Cc1c(N=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)c(=O)n(-c2ccccc2)n1C 254747304 XMLLJIHOGWMOSE-UHFFFAOYSA-N 433.512 4.524 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OCc3ccccc3)cc1)CC2 475599931 CKXCQWPUGGGDSI-RDPSFJRHSA-N 428.536 4.598 30 10 IJEE Cc1cc(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)ccc1NC(=O)c1cccs1 492033074 KHNUCKPTRIYZRP-UHFFFAOYSA-N 441.516 4.501 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 502664146 CYVNJTGDGVIQNO-QROMIFEXSA-N 430.552 4.621 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 508835112 XVKIYOVDEIQKDK-VJTSUQJLSA-N 449.643 4.658 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 526513902 ABUYMQKLLGMZNA-JOCHJYFZSA-N 427.416 4.532 30 10 IJEE COc1ccc(Br)cc1/C=N\n1c(C)nnc1SCc1ccc(F)cc1 526801233 GPYALWZEDWLFNV-FBHDLOMBSA-N 435.322 4.671 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)cc1OC 549159265 WDODCMMYLODZLB-UHFFFAOYSA-N 431.540 4.531 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 549288580 XWCNXEUJLYAFNM-NHCUHLMSSA-N 440.588 4.572 30 10 IJEE CC(C)(C#N)c1ccc(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)cc1 574554345 DMJLXKHUJWFVMM-UHFFFAOYSA-N 436.320 4.818 30 10 IJEE Cc1nc(Oc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)cc(-n2nc(C)c(C)c2C)n1 585442645 MPPBUYWZFBTMJI-UHFFFAOYSA-N 438.491 4.812 30 10 IJEE O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 612530552 FRTIVCROFWIEFO-HTQZYQBOSA-N 438.246 4.817 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)cn2)cc1 619558016 CKUMGXNBXQFIRG-BJKOFHAPSA-N 448.482 4.510 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)Nc2ccccc2C)cc1 732178138 YMBSQTUYJNSCGD-UHFFFAOYSA-O 447.584 4.861 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 733198524 YLRHSNCIAMZFDZ-GOSISDBHSA-N 446.359 4.977 30 10 IJEE Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 754126780 JRFUHAMMDOGQMQ-FNORWQNLSA-N 428.439 4.980 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 764060509 XCQVKIYNYWWNGV-NVNXTCNLSA-N 443.208 4.993 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 800631694 JBFJYKSTTNGJBF-KRWDZBQOSA-N 437.540 4.968 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1 807469029 FCOLEJNZRHBTHG-LJQANCHMSA-N 436.943 4.946 30 10 IJEE C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918544448 GHRXDCMPJDVFRP-FGGSVNHKSA-N 442.585 4.505 30 10 IJEE COc1cc(Br)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O 1084020216 UIDBECMUEAJRJN-UHFFFAOYSA-N 434.168 4.536 30 10 IJEE NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C=Nc2ccc3c(c2)oc2ccccc23)CC1 1084327992 SVLISQGAGIOOPG-UHFFFAOYSA-N 442.475 4.947 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(F)c(Cl)c2)c(C(=O)OCC)c1C 1124820544 HXUOCPVMQOBUOE-UHFFFAOYSA-N 425.865 4.621 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 1126063044 IGFDAKDWSIRJKP-UKILVPOCSA-N 426.601 4.980 30 10 IJEE C=CCN(C(=O)c1ccc(C)cc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1128110728 DSHSWYMGESOWDM-HXUWFJFHSA-N 430.342 4.560 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Cc3ccc(Br)c(Br)c3)cc21 1134357421 UJRKMZAFWBVUDG-UHFFFAOYSA-N 449.146 4.929 30 10 IJEE C#CCN(CC)C(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 1136378381 GLSOVFQIHGIQOB-UHFFFAOYSA-N 445.755 4.543 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 1154366888 DILUKZJDINKQBA-QGZVFWFLSA-N 433.335 4.883 30 10 IJEE C#C[C@@H](NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Br)cc1 1159634745 RJHNCJGCFDRWNJ-LJQANCHMSA-N 443.341 4.681 30 10 IJEE N#Cc1ccc(NC(=O)CSc2nc3cc(F)ccc3n2CCOc2ccccc2)cc1 1166005101 FOJHWQOCBNUTDA-UHFFFAOYSA-N 446.507 4.857 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1 1166609285 GHBRHHRNDPPLLM-IBGZPJMESA-N 447.576 4.899 30 10 IJEE CC[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1OC(F)F 1185263023 DJUXPOHJIWPVAJ-HNNXBMFYSA-N 434.386 4.608 30 10 IJEE CN1CCO[C@H]([C@H](Nc2c(C#N)cnc3c(Cl)cccc23)c2ccc(Cl)cc2)C1 1185986643 BVXOSDZJFUPROL-PZJWPPBQSA-N 427.335 4.897 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)c1 1186582988 WDNNPLFUCQXIGN-UHFFFAOYSA-N 440.952 4.651 30 10 IJEE COC(=O)Cc1sc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)nc1-c1ccccc1 1217895433 HGQCMASQWYSISR-UHFFFAOYSA-N 448.548 4.840 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 1227154249 HJUUFLHZTGLODF-SHTZXODSSA-N 435.380 4.704 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 1229989921 PAKKQGXIQGSPGC-RXVVDRJESA-N 447.348 4.859 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1 1264466733 FCBZOJCNGAGTOU-UHFFFAOYSA-N 430.464 4.657 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1cccc(Br)c1Cl 1276073231 DHWBVRWGBNENIR-UHFFFAOYSA-N 428.511 4.667 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286316698 LHPPSZLMBGWMOV-VQIMIIECSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1286355753 YILOAFHOKJAIEC-LJQANCHMSA-N 435.572 4.578 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1286594458 RYYIZULDBCHSER-UHFFFAOYSA-N 435.547 4.530 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)(C)C)C1 1286597097 AFUIDBCZRMYUSH-SFHVURJKSA-N 439.387 4.991 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 1286646440 RBDYQMKJEVEUPV-QHCPKHFHSA-N 437.632 4.869 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CC)CC1 1286651083 RGJRSWKBSGQOMO-IBGZPJMESA-N 432.037 4.865 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CCCCO1 1286703864 IHTQOYZLPZJGIG-LJQANCHMSA-N 449.393 4.591 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1286704143 ZXULCKKKRBJFBD-OAQYLSRUSA-N 437.632 4.869 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCO[C@@H]1CCCC[C@H]1C 1286719622 AFDPVRBGFUIWKI-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1OC 1286741543 IQVBMBIVDJUNGL-UPVQGACJSA-N 442.567 4.528 30 10 IJEE C=CCSCCn1c(N(CC)C2CCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286835248 QINLRILZZCFUON-HDICACEKSA-N 449.665 4.737 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)OCC 1287775752 FFWDPKRIVRYAAM-NRFANRHFSA-N 426.875 4.845 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cn2cc(Br)cn2)cc1 1291878373 YKXUERPFBNEMFV-UHFFFAOYSA-N 440.341 4.531 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(C)C)c1 1298349028 NGWRJOKZWZJRSY-HSZRJFAPSA-N 431.985 4.524 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1300372068 MCEVCKFTVKVPJX-UHFFFAOYSA-N 449.643 4.670 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)(C)C)CC1 1300394708 RWWQKBRRADTOBM-UHFFFAOYSA-N 425.646 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC[C@](C)(CC)O1 1300817233 DQHFTOLYAYLQBY-ZBFNPPJQSA-N 428.621 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H]1C 1300877544 WIKMGNLSBIRAFM-RFWXGWTQSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)o1 1300884712 LXKSKMKINNBYJO-YJBOKZPZSA-N 435.366 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 1300888154 IGIPDRQHYACCOU-WPYKKVEZSA-N 445.007 4.509 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCCCCC1 1300892750 VFFOKIZHYHUKEX-RCZVLFRGSA-N 438.616 4.824 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCCCC2)CC1 1301105501 KHIXEKNRGIWNIQ-IBGZPJMESA-N 444.023 4.960 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)NC(C)(C)C)CC1 1301135124 HSAJLEWCOBSNTD-UHFFFAOYSA-N 441.645 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1301155704 RZSRQONJZFFJCM-RTWAWAEBSA-N 439.648 4.593 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301178379 JLAUNLAMIBJYHG-HXUWFJFHSA-N 448.571 4.565 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(C=C)CC1 1301186137 RCSZYZVKRWVICZ-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1CC(CC)(CC)NC(=O)OC(C)(C)C)C1CC1 1301324443 WCZLEMMEEYZSQY-UHFFFAOYSA-N 428.581 4.512 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@H]1CCCn2cc(C)nc21 1301341027 NCXCNOQZMGSMCD-WMZHIEFXSA-N 443.599 4.938 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1ncc(CC)s1 1301351088 IVMDDNNNJAPIPO-HXUWFJFHSA-N 441.576 4.919 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C)s1 1301529042 HLBKKJKBPWZWBA-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@](C)(C#N)C2)C1 1307030387 BXWJTIHRZDTXHD-GAJHUEQPSA-N 444.986 4.600 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCC[C@H](C(F)(F)F)O2)cc1OC 1308512835 LWERONFFVIHZDF-CZUORRHYSA-N 438.284 4.612 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 1309381947 CFXBSUUJBJIOPC-MRXNPFEDSA-N 447.944 4.830 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 1310188508 PNQHQGSJZCPJPX-OAQYLSRUSA-N 437.540 4.735 30 10 IJEE CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1310247568 BCKNQNDSFHDHBU-XUZZJYLKSA-N 439.487 4.520 30 10 IJEE CC(C)(C)OCc1cccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 1311254340 DBALLHOVHZXOKB-UHFFFAOYSA-N 434.540 4.756 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1311610470 BNXCXBGLQGDFJS-YZGWKJHDSA-N 431.577 4.695 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)cc1 1312735628 AMBQHZXDZYTEPL-HXUWFJFHSA-N 428.964 4.560 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc2c(c1)OCO2 1347908553 COISVIPYJLNOLK-NTKDMRAZSA-N 437.536 4.965 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1350546820 XLIPVLUKNRGDFK-AREMUKBSSA-N 433.504 4.616 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1ccco1 1359060651 CTLBEZMIBSRUHT-INIZCTEOSA-N 430.961 4.667 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1Cc1cccs1 1359081138 PVXVKTNEIFWREN-OAHLLOKOSA-N 430.375 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359184708 XPFYRFFEUXJYTR-LJQANCHMSA-N 435.572 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(CC)CC1 1359187703 URTQOHQZMUCWQX-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)ccc1Br 1359193061 VTVBKKYZRZMMLG-UHFFFAOYSA-N 445.365 4.796 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359219785 CTFSWPLYUWEEEY-IRLDBZIGSA-N 437.632 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359261659 QICQINJGQHNSLZ-TXTKFYIRSA-N 441.595 4.582 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1359344572 CFRDJLHXUCSETE-LAUBAEHRSA-N 439.654 4.935 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1Cc1csc(-c2ccco2)n1 1360478233 GNPUSYVCDCZVRO-OAHLLOKOSA-N 436.516 4.511 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn(CCc2ccccc2)nn1 1361274064 BWXQGJHSKXIQSB-UHFFFAOYSA-N 437.503 4.532 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)s1 1436180645 CDMKCGAHVRKWQT-UHFFFAOYSA-N 449.001 4.731 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](c2nccs2)C(F)(F)F)s1 1436397483 FPYCTIYZPHQYKO-NSHDSACASA-N 427.926 4.715 30 10 IJEE C=C(C)c1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 1439922890 LCMDCZLFDDVRJS-VWLOTQADSA-N 446.572 4.782 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 1443781317 RGUSTZQUPREPSX-HXUWFJFHSA-N 437.540 4.872 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N3CCN[C@H](c4ccccc4Cl)C3)cc2)cc1 1448276997 FPZXAPFZAFEPJK-DEOSSOPVSA-N 431.923 4.985 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1449314361 JAQNDKOPBOABAO-HXUWFJFHSA-N 442.918 4.810 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)C/C=C\c2ccc(Br)cc2)CC1 1459207975 FFMRHUBVVWZROQ-IWQZZHSRSA-N 440.341 4.625 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccccc1 1463275572 OUHCFOLZOVYNHC-LJAQVGFWSA-N 432.973 4.856 30 10 IJEE COc1ccccc1[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N1CCCCC1 1468110716 AZUMITUCFXJFHP-RUZDIDTESA-N 444.579 4.593 30 10 IJEE C=CCCO[C@@H](C)C(=O)N1CCCn2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)nc21 1470340442 JJXVENFHBLUFNL-KRWDZBQOSA-N 440.544 4.615 30 10 IJEE C=CCCC(=O)N[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1470578661 HCLVTAWTYFFQSB-UIOOFZCWSA-N 448.588 4.838 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 1470945335 BAZWOTCUQPCVIK-MEMLXQNLSA-N 428.577 4.562 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1c(F)cc(O)cc1F 1471433432 KMLROZOVZBGNED-UHFFFAOYSA-N 443.263 4.512 30 10 IJEE C#CCN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882432 OHAASAPITFAZHQ-UHFFFAOYSA-N 426.488 4.561 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(C3(C)OCCO3)cc2)cc1OC 1474232018 OHNNIIYBTJMXCT-UHFFFAOYSA-N 448.357 4.532 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(NC(C)=O)c2ccccc12 1474770414 ICRHGFQPKGJURI-UHFFFAOYSA-N 434.970 4.890 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1476741963 JYEZGRDDRBHIJA-UHFFFAOYSA-N 428.346 4.539 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1)C(C)(C)C 1477327674 MKPZUJUGWXFDKF-HSZRJFAPSA-N 435.568 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC[C@H]1CC 1507546714 LEXBVNBLFKQGBP-AZUAARDMSA-N 446.064 4.946 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1507747928 JUNRQNLMXLYADH-HDICACEKSA-N 428.671 4.939 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1507825108 PVXPMEHQFAITPA-YMPZKCBVSA-N 437.632 4.917 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1507847764 JUOVZXMMDCEJBV-HXUWFJFHSA-N 428.552 4.748 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccnc1OCCC)C1CC1 1507995096 DRXPYBSHYYRIHO-NHCUHLMSSA-N 439.604 4.584 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1C[C@H](F)C1 1508017398 PYRILTOIDSDMMO-VAMGGRTRSA-N 447.599 4.709 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508047882 RGWLMXPWICNVQG-QGZVFWFLSA-N 443.617 4.565 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1508048845 RURMQSJOHAQGGP-IJXRJRJASA-N 430.980 4.593 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1508153591 NQYZIZUVTFUHMR-XMSQKQJNSA-N 435.597 4.855 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]1CSC 1508165333 RVQZVQJFSXPGBP-IBGZPJMESA-N 427.643 4.532 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCN1CC 1515632019 DRSVYPHRNHJOJM-NRFANRHFSA-N 434.613 4.779 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3c(F)cc(Br)cc3C2)cc1OC 1517175322 ISWWEMMXAGWLDH-FNORWQNLSA-N 446.316 4.760 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(OC)c(Br)c(OC)c1)c1ccc(F)c(F)c1 1523233982 SUZZNXCWGFFUHJ-GOSISDBHSA-N 426.257 4.792 30 10 IJEE Cc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c(Sc2ccccc2)c1 1524103522 BKFWRFJBRZXUKC-UHFFFAOYSA-N 434.590 4.745 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)cc1 1525697135 JCNJYRDWJRUJPH-UHFFFAOYSA-N 431.488 4.828 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c(C#N)cn1CC 1525795593 GTGSEGYMMUXTEL-UHFFFAOYSA-N 438.871 4.649 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cnc3ncc(Br)cc3c2)c1 1529646926 LMLSHEAUPCZTTD-UHFFFAOYSA-N 432.277 4.814 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 1529833289 TURRWTFCOLHSIX-RTBURBONSA-N 442.581 4.560 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)c2)s1 1532150179 BZHQJDGNVPMUJS-KRWDZBQOSA-N 435.936 4.609 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(Br)c(OC)c(OC)c2)C(F)(F)F)cc1 1532570182 MHQWFPVMYUTOSH-QGZVFWFLSA-N 443.215 4.908 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)NC3(c4cc(C(F)(F)F)ccc4Cl)CC3)n2)c1 1539279378 DYFBCLQMUSKONT-UHFFFAOYSA-N 430.817 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cnccc1OC 1539649769 DCGYYZMYEASVER-HXUWFJFHSA-N 435.572 4.889 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1539891660 IKKRYNUMVVSIPG-ZJSXRUAMSA-N 426.580 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(F)(F)CC1 1539907342 ZYIOLUYMPGTVJM-UHFFFAOYSA-N 442.352 4.884 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCC[C@H]1CCCCO1 1540137990 XVGSGUPOMWKINY-FCHUYYIVSA-N 442.579 4.853 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)C 1540152581 XSPNDFZUASWHQT-XPWALMASSA-N 443.680 4.743 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1540856375 RTBIRMFDHWYCPB-UHFFFAOYSA-N 448.615 4.978 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(Br)ccc21 1542177650 TUSIISTYOHXDHL-QGZVFWFLSA-N 437.378 4.978 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](CC)Oc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1543745120 SOEXRSCXVZBEFI-WZONZLPQSA-N 436.980 4.959 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC)c2cccc(C(F)(F)F)c2)c1 1546245216 AJOJHJQKMJDRRG-FQEVSTJZSA-N 437.483 4.774 30 10 IJEE N#Cc1ccc(NC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1Br 1562778920 BXVIVVINZGTJOR-INIZCTEOSA-N 443.128 4.873 30 10 IJEE Cc1cc(Br)cn2cc(CNC(=O)Nc3scc(C(C)(C)C)c3C#N)nc12 1562850803 BTCXLSVUHTVSCU-UHFFFAOYSA-N 446.374 4.958 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H]3CCN(C)[C@H]3c3ccc(Cl)c(F)c3)cc2n1 1563301535 FQYCRXAYLGOOFJ-ZHRRBRCNSA-N 441.938 4.829 30 10 IJEE CC(C)Sc1ccc([C@H](C)NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1563990879 HTYIZULJVQHPAK-KRWDZBQOSA-N 426.561 4.791 30 10 IJEE C#CCN(C(=O)NCC(C)(C)c1ccc(CC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1564225916 XPSZMAMXEANABM-UHFFFAOYSA-N 441.616 4.571 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1583696258 YZPAIXVKFRULFG-GHTZIAJQSA-N 431.363 4.902 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 1584067797 DCJFJNMIFPBRDV-MRXNPFEDSA-N 439.968 4.950 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)[C@H](C)CC 1587562923 VFWOPQWJSSQNPS-RAZUEPIFSA-N 447.023 4.943 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1OC 1587798053 APDAFWSNYLSJLE-GOSISDBHSA-N 446.889 4.931 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1ccc(OC)cc1 1589506616 YQXSGUZBINULQO-REWPJTCUSA-N 436.556 4.863 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)C1CCCC1 1589570074 SSCAZPTZTYWZIT-WZONZLPQSA-N 428.552 4.746 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1593718333 UXJVCUANJFRIJM-HZPDHXFCSA-N 449.368 4.674 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCC(C)CC2)CC1 1594247312 ITVWJJXIZDOFGT-UHFFFAOYSA-N 442.677 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3ccccc3C)C2)nnc1[C@@]1(OCC)CCOC1 1594529817 YWRKMDODUBROEB-QFQXNSOFSA-N 438.616 4.835 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)noc1C 1595149349 NGNXFFSZXKMMNQ-UHFFFAOYSA-N 430.537 4.724 30 10 IJEE CC(C)(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(C(F)(F)F)cc1 1596492999 HRPFSGNCDMZZNY-AWEZNQCLSA-N 449.860 4.635 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)ccc1Cl 1597037990 BQKMXFZLRDBSLM-PBEJRMEISA-N 444.984 4.640 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)C3(c4ccccc4)CCCC3)ccc2c1=O 1611173548 ZCHMWSMHNKVVJB-KRWDZBQOSA-N 433.577 4.502 30 10 IJEE C=CCn1c(SCCCCOc2ccccc2C(F)(F)F)nnc1-c1cnccn1 1613600787 JKQSOBDMHKQXQH-UHFFFAOYSA-N 435.475 4.891 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1614085121 AJTQJQOGONKQCH-XOKJFZFGSA-N 434.632 4.952 30 10 IJEE COc1ccccc1/C=N/N=C1/S/C(=C/c2ccccc2OC)C(=O)N1Cc1ccco1 1615303976 QOVCGYYQHOPYSA-WTGMLGSZSA-N 447.516 4.803 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1nc2ccc(Br)cc2[nH]1 1621051527 ILWMZVUCIPDSDQ-UHFFFAOYSA-N 435.119 4.712 30 10 IJEE C=CC1(CC(=O)N(Cc2ccco2)Cc2ccc(C)s2)CN(C(=O)OC(C)(C)C)C1 1625821062 IDEFTJWSYFCCNG-UHFFFAOYSA-N 430.570 4.992 30 10 IJEE C=C[C@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1626096658 NKWHRWNAYDADJJ-YOEHRIQHSA-N 428.248 4.587 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(Nc3cccnc3)cc2)nc1C 1628356856 LMPCMPCHWOQFBC-UHFFFAOYSA-N 449.565 4.576 30 10 IJEE C#CCSCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1629584367 DSEDXTNBZWACME-ZPHPHTNESA-N 428.557 4.826 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1 1640066545 SCTYUZKFWCLJQQ-IBGZPJMESA-N 431.536 4.985 30 10 IJEE C#CCN(CC(=O)NC1(c2cccc(Br)c2)CCCCC1)C(=O)OC(C)(C)C 1643180609 SBRAOWXMRUBAHZ-UHFFFAOYSA-N 449.389 4.595 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1645125428 SEXRLIIZRALXHO-SANMLTNESA-N 428.532 4.587 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 1652406436 UPKMCFAXQIRQLA-INIZCTEOSA-N 440.519 4.894 30 10 IJEE C=CCN(CC1CCCCC1)[C@H](C)C(=O)Nc1ccc(I)cc1 1652493639 PXZKXESSXOHDAR-OAHLLOKOSA-N 426.342 4.687 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(Cc2ccc(Cl)cc2)CCC1 1655489911 HWFHFNFCAUHNNU-UHFFFAOYSA-N 428.863 4.674 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCN1Cc1ccccc1 1658965882 CJYSGHITXUTUBT-XMMPIXPASA-N 440.547 4.842 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(Br)ccc2OCC)cc(OC)c1OC 1666762502 WXMYVBZKXKCVJX-UHFFFAOYSA-N 449.345 4.915 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 1667558471 CCVPUGGFUTUELY-UHFFFAOYSA-N 434.870 4.544 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F)c1ccccc1 1675610919 YNFMGWMFOZWMBR-NHCUHLMSSA-N 445.485 4.986 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1689855426 VWBOOBHRVFUMST-ZNMIVQPWSA-N 426.433 4.899 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1689878556 MZJHNEQGPHFSJC-FQEVSTJZSA-N 449.624 4.702 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1csc(-c2ccco2)n1 1690083392 DYCXGYGALZEMQC-UHFFFAOYSA-N 447.564 4.698 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1690227832 HZGBCOTWZXVJHP-UHOSZYNNSA-N 431.378 4.811 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC)CCc1cccs1 1690244076 SPTFZIFJSHGVFJ-RXVVDRJESA-N 425.602 4.775 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1690394999 UMSWVXJFFLDTAH-UXHICEINSA-N 425.552 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1690436474 SPHJOOYJFALHNK-DEOSSOPVSA-N 440.588 4.770 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)c1ccccc1 1690445431 XNRVGJCJFIREKR-ZJSXRUAMSA-N 449.643 4.894 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1690473841 ISYZFZWSEYWBTH-HXUWFJFHSA-N 432.515 4.800 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1690587946 CUHOGGOREIXVTJ-FQEVSTJZSA-N 440.954 4.614 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(C)C)C1 1690607283 JITWDAGWCUPSGO-NRFANRHFSA-N 425.621 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCc1cccc(C)n1 1705476580 BMTBELVPZVICJJ-UNMCSNQZSA-N 431.584 4.829 30 10 IJEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705556179 BWYUPAUGTGKRAF-ICSRJNTNSA-N 434.506 4.510 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CC(F)(F)C1 1705591631 UMOFJMYCRHTEHT-INIZCTEOSA-N 428.552 4.640 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C)(C#N)CC1 1705733870 WBMPGLQVYZGQLY-UHFFFAOYSA-N 434.371 4.975 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1705784733 HFTLQPVIKRUOEG-FGZHOGPDSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705789841 ZCEICWDVVDYTMX-LJQANCHMSA-N 448.615 4.534 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCn2ccnc21 1705797730 BHAGSEHEKCQZLC-IBGZPJMESA-N 439.995 4.950 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705799212 PUIYHRHPJRNVSA-QZTJIDSGSA-N 429.634 4.594 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 1705807523 GHNVLYAXOZBKRS-UHFFFAOYSA-N 439.007 4.992 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1csc(C)n1 1705809043 ZXHYPBSRXQYAHR-HXUWFJFHSA-N 425.606 4.602 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccsc1 1705857933 NGDBSLYLHFCRDE-DEOSSOPVSA-N 435.597 4.609 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705859845 ZYNMPVSKIFNLNJ-ZRZAMGCNSA-N 446.643 4.844 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CC 1705863418 RDEKDYAMSXNPKT-UHFFFAOYSA-N 436.535 4.693 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CCC(=O)N1CCCCCC1 1705865271 VCOULRDNRVXCCJ-UHFFFAOYSA-N 441.595 4.601 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1noc(CC)n1 1705870662 NFSVCYQZULLEPV-UHFFFAOYSA-N 438.601 4.642 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1705882074 KEOKYKBWOIGQOE-RTBURBONSA-N 433.478 4.749 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705912559 NKQMYRRKBPHJLY-VWLOTQADSA-N 435.572 4.528 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)Cc2cnc(C(C)C)nc2)nnc1C(C)(C)C 1705914335 LSWHQLRABFMEMD-UHFFFAOYSA-N 434.588 4.739 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCCCCC1 1706067996 CJVXKOOVDQNKLI-OALUTQOASA-N 445.011 4.543 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCCC2)C1 1706435531 HAISSIDBYNZOCH-UPVQGACJSA-N 434.632 4.810 30 10 IJEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C(C)C 1707792711 DEPGAYFODYVTQE-UHFFFAOYSA-N 443.580 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1722301799 NNINLHOSQBQQGZ-WIOPSUGQSA-N 433.644 4.771 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(OC)CCC(C)CC1 1722301834 CVFVNTBXCWFONM-OTQYULQBSA-N 430.980 4.564 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722302185 GTLNOMJPRFLMLU-PTLVVNQVSA-N 438.616 4.719 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC2CCCC2)cc1 1722388583 DHCRWPBEMJZVMI-UHFFFAOYSA-N 428.536 4.679 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccccc1)N1CCCC1 1722513856 LLXSCEYNLAOFNR-DEOSSOPVSA-N 430.600 4.503 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCCN2CC)CC1 1722569653 ISXVKVDQJZYLJL-OAQYLSRUSA-N 425.646 4.910 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2ncc(CC)s2)CC1 1722583191 SGIOUDXLHLPIPY-UHFFFAOYSA-N 437.613 4.889 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCCn1nc(C)cc1C 1722657614 HTKWJQWYKHEWHY-UHFFFAOYSA-N 441.583 4.745 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCCN1CCC(C)CC1 1722658784 JWABDTBKFUFMRN-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H]2CCC[C@H]21)C(C)C 1722665121 KNWPUXNQWJNWQJ-GMKZXUHWSA-N 434.632 4.808 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1CCCC1 1722679328 XDLQBYPTBYFVGA-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@H](CC(C)C)N(C)C)cc1 1724456623 DHHNCTHJQPBADH-NRFANRHFSA-N 440.661 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCSC1 1740556796 JJFYMTKJKBJINQ-CABCVRRESA-N 439.412 4.765 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1740569225 FRGZGVJKJHRHEE-RCZVLFRGSA-N 442.611 4.633 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1740583153 VUDIQCICTWRMCN-GOSISDBHSA-N 442.972 4.660 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ccsc1 1740658606 DCZQMPAFUHCCML-UHFFFAOYSA-N 441.025 4.991 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN(CC(C)C)C1 1740665872 UAVQYTZRSTZKBV-GOSISDBHSA-N 431.987 4.565 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1740748324 DKDWWLBZCKJCEZ-CYBMUJFWSA-N 440.798 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740851092 QFLJQEYMVSRBPI-NRFANRHFSA-N 426.580 4.742 30 10 IJEE C=CCCOCCn1c(N2CCC(Nc3ccccc3Cl)CC2)nnc1C(C)(C)C 1740888028 HAPVTLHGAAGWIZ-UHFFFAOYSA-N 432.012 4.903 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)C)C1CC1 1740910230 ARDSXUAMVDDRRT-IBGZPJMESA-N 431.625 4.984 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@H](F)c1ccc(Br)cc1 1740932049 FWGVJZSAYWMEDQ-MJGOQNOKSA-N 449.368 4.824 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(F)CCC2)C1 1740973089 RBCIIVFQWFFIAB-XLIONFOSSA-N 432.515 4.621 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCN(CC)C1 1748646994 GXQSTPBVKNGEIM-CVEARBPZSA-N 428.005 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cn(CCCCC)nc1C 1748661766 KUMIVZHGTMLEPP-LJQANCHMSA-N 443.599 4.638 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1748721796 OGMMVOAYDYSQJZ-XMMPIXPASA-N 430.543 4.592 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1ccnc(C(F)(F)F)c1 1748940059 DTTKOIOKPDKWQK-UHFFFAOYSA-N 431.437 4.643 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCOc1ccccc1C 1749102925 PRRUUBBWNWJUJJ-IBGZPJMESA-N 449.393 4.642 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CCC1 1749122432 VWDACPFHKBEETD-IFXJQAMLSA-N 449.368 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC1CC(F)C1 1749134942 ACRXZQZJCPNFAF-UZSNPODYSA-N 442.579 4.639 30 10 IJEE C=C(C)COCCn1c(CC2CC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1749232094 CKGOYAYZYJNUJB-INIZCTEOSA-N 445.405 4.710 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(Cc3ccc(F)cc3)CC2)CC1 1749285321 FNLMEEFGGJZFLN-UHFFFAOYSA-N 439.579 4.515 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2cccc(F)c2)C1 1749373818 VRIAXBMYRSHUES-NRFANRHFSA-N 436.579 4.875 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccncc1Cl 1749471061 IDPRUFUBSKNXDJ-UHFFFAOYSA-N 436.716 4.566 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC2(CCC2)C[C@@H]1CC 1749627151 GDDDYQNXEWZFRR-OALUTQOASA-N 429.609 4.738 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1750228064 GRZNGBPOKQQOGO-YYWHXJBOSA-N 439.629 4.885 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C)CCOCC1 1752081135 DDCWHWLKNLNADJ-SJORKVTESA-N 427.618 4.686 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCCc1nnc(C)s1 1760241743 IDDKWWWTLHLBGL-UHFFFAOYSA-N 438.576 4.507 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C(C)C)C1 1760302965 WTZVOOONXQYREX-AWEZNQCLSA-N 439.785 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1 1760317368 FGBKATAKJFBNDM-PXNSSMCTSA-N 427.936 4.513 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccsc1 1760352971 CMYWTVYHVFEIEH-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCSCC1 1760368585 HKINIRFHWAFTBV-UHFFFAOYSA-N 434.190 4.667 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1760392443 QDEDGIZIZBGJTH-OFNKIYASSA-N 437.632 4.751 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([S@@](C)=O)CCC1)C1CC1 1760470870 FVEPCMDHVOQVKI-XHDOVSQSSA-N 449.020 4.528 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)c1cccs1 1760518595 BSOLYNNNADMQKT-QGZVFWFLSA-N 437.613 4.804 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760561694 JJFWWWJTUJSJCR-QGZVFWFLSA-N 436.025 4.697 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCCC2)CC(C)(C)C1 1761430926 CJNFWJHHWCYQFU-LEWJYISDSA-N 434.632 4.811 30 10 IJEE CCO[C@H](CCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(C#N)c1)C1CCCC1 1765784227 FTQOTFAHTXDUII-XMMPIXPASA-N 446.599 4.777 30 10 IJEE COc1ccc(C(C)(C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1768422345 CAHBGRYNQPZLBH-VWLOTQADSA-N 433.556 4.963 30 10 IJEE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747768 ORIIZWZDAJIHJP-UHFFFAOYSA-N 444.491 4.847 30 10 IJEE CCOc1ccc(CCn2ccc(=O)c(OCc3ccccc3C#N)c2CC)cc1OCC 1857912505 MTOKHZIZNTZADV-UHFFFAOYSA-N 446.547 4.901 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)cc1Cl 1858840988 CUOQHEVXUWRMBC-HNNXBMFYSA-N 449.898 4.965 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cc(Cl)ccc1OC 1861542679 UIALSYJMGRPKMA-SFHVURJKSA-N 429.026 4.677 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OCC)c(OCC)c1 1862453985 MTGXXZUEYABZHR-OAQYLSRUSA-N 441.911 4.902 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2C(=O)O)ccc1F 1862504070 LWLNRHGHHOOVCK-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1cccc(O)c1)c1cccc(O)c1 1862588998 BUORINUGFZVDLX-NRFANRHFSA-N 435.863 4.530 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862590972 SAYMCDPTDQFGAT-JOCHJYFZSA-N 433.529 4.837 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(F)cc2)c1 1862626640 DXLBAMIRIVMBMZ-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc(F)c2)cc1 1862661465 BTOYCBSWHAYAGC-QFIPXVFZSA-N 425.500 4.690 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(C)c2)c1 1862699523 UZTPKRIZHVYLGY-XMMPIXPASA-N 427.500 4.825 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(F)c1 1862714400 BRTYNNNJJCQYSI-HSZRJFAPSA-N 433.479 4.982 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1CCN(C)C 1862722639 WFFNSGPHUZIKAD-VWLOTQADSA-N 440.543 4.802 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 1862735721 QZKWMGLODPXGPO-RFVSGWPVSA-N 438.455 4.891 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)c1 1862736327 ICIISIMASGEGOU-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@H](C)c3ccccc3)C2=O)ccc1F 1863460826 GJJJJPNBFMZZTH-QGZVFWFLSA-N 425.463 4.959 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCCCO)C1=O 1863645274 ATTURPDMZVAETF-UHFFFAOYSA-N 432.580 4.799 30 10 IJEE CCCCC1CCC(C(=O)Nc2c(C#N)nnn2-c2ccc(Br)cc2)CC1 1870154520 WFBRHMNIEHHIPG-UHFFFAOYSA-N 430.350 4.837 30 10 IJEE C#CCOc1cn(Cc2ccccc2)c(CSc2ccc(Br)cc2)cc1=O 1870299090 ULBFNIFZDTYYHA-UHFFFAOYSA-N 440.362 4.963 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(=O)cc1CN(CCC)CCC 1870712703 APKBTRNLEYCWNU-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2cccc(Cl)c2C)cc1=O 1870812041 MUWCEXFOOZNRBY-UHFFFAOYSA-N 429.992 4.863 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871375327 GECKXWYNNPLGDY-OYKKKHCWSA-N 430.456 4.858 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 1871389506 ZHUVYJUZAWGFEE-UCQKPKSFSA-N 444.439 4.846 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871405716 GJSJAMOHOBGQJA-GEWRUKCFSA-N 444.443 4.925 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)c1 1871447867 FRNWQOWGVVJQLQ-FMCGGJTJSA-N 433.891 4.960 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871452383 NTBYFVZEFPINQT-XKZIYDEJSA-N 433.460 4.929 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871457110 PWJZYSAFOOSSCM-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE C=CCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N2CCc3ccccc3C2)n1 1871606406 UQFLHBKVBGGHSD-UHFFFAOYSA-N 449.562 4.941 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cccs1 1871892072 KMQWYHMZAPMIAV-FQEVSTJZSA-N 434.627 4.985 30 10 IJEE CC[C@H](C)[C@@H](C(=O)[C@H](C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872774383 PFNBLSQODNVGOG-AXHNFQJDSA-N 449.557 4.759 30 10 IJEE C[C@H](c1ccccc1)N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872776231 LDNOMTHQLYRLBY-XFQXTVEOSA-N 433.508 4.735 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874304066 GFOUMWRAGJKJBT-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1c(Cl)cccc1Cl 1874340642 QKOFZVADDPJYPZ-HKXVIOCSSA-N 440.400 4.694 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(C)c1 1874418883 MXXSSGDUXNEFDB-NLRVBDNBSA-N 449.624 4.800 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2Cl)cc1 1874448182 VPBIETPHKNAXHV-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2)c1 1874481224 PGKJDYBEGJZTKW-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CC(C)c1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc2ccccc12 1874514016 BWFKKDDZQFRKAZ-MFKUBSTISA-N 435.597 4.978 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)cc1 1874518178 GKTRBFJJVQJBIP-FSJBWODESA-N 425.945 4.730 30 10 IJEE CCOc1c(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2)cccc1OC 1874570065 MDCSBTLWBRNYBB-OEAKJJBVSA-N 446.960 4.521 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC(=O)Nc1ccccc1C 1874597573 UXJGNWCIFHASJP-JXMROGBWSA-N 445.471 4.646 30 10 IJEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)c(C)c1 1874634100 LLHYPVQNJQIUJI-SOFGYWHQSA-N 425.481 4.994 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 1874697521 BPUZHOWNZKUCOK-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE Cc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 1875146344 PYPKHOQHHSUMSP-RMKNXTFCSA-N 445.427 4.790 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)[C@H]1CCCO1 1875193689 VRHHIBABGVHFHX-VHTFYLNKSA-N 430.884 4.728 30 10 IJEE CCN[C@@H](C#Cc1cccs1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1900747704 FZJHRPKMVCZPMU-YUXAGFNASA-N 428.598 4.576 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(CCC#N)CC1 1901481221 AYSSPDQKZNAINU-RUZDIDTESA-N 445.563 4.846 30 10 IJEE C#C[C@@H]1CCCCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1984724097 IZQQZINLDQHERE-FQRUVTKNSA-N 444.575 4.812 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)cccc1Br 1986046315 PHQZQYLMIMEXLG-ZFWWWQNUSA-N 448.199 4.942 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCN(Cc2ccccc2)C1 2003427277 LHVHIXWZWCHGNK-VWLOTQADSA-N 428.621 4.514 30 10 IJEE Cc1cc(C=N[C@H](CO)[C@@H](O)c2cccc(O)c2)c(C)n1-c1cc(Cl)ccc1Cl 2040465251 FKNSKBGQKBTFRA-IRLDBZIGSA-N 433.335 4.620 30 10 IJEE CCOc1cc(C=C2CSc3ccc(Cl)cc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 2040489826 QBRUSFCXRCFPAL-CQSZACIVSA-N 445.968 4.966 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(Br)c1F 2047924379 MZVCAGYCDYMANY-ZDUSSCGKSA-N 432.717 4.660 30 10 IJEE CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C 2053578002 GUERPVMWCQXYEU-DGYHUNLTSA-N 444.656 4.820 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1)NCCC 2065383098 ZLLNGCUDCNTVDE-GOTSBHOMSA-N 444.616 4.686 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(C)C)c(C=NO)c2I)c(F)c1F 2079883357 AUCZOPMVQHCIHW-SNVBAGLBSA-N 433.240 4.615 30 10 IJEE CCOc1ccc([C@@H](n2nc(CC)c(C#N)c2I)C(C)(C)C)cc1 2080079997 OFQIOKCSOWGDGV-QGZVFWFLSA-N 437.325 4.956 30 10 IJEE CC(=O)Oc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2Br)C2(C)CC2)cc1 2080080698 YDJOJYOXTICNJP-SFHVURJKSA-N 428.330 4.884 30 10 IJEE CCCN=c1c(C#N)c[nH]c2cc(Br)c(Br)c(Br)c12 2095439612 MITCSSAGRVPZMG-UHFFFAOYSA-N 447.956 4.638 30 10 IJEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1ncc(Br)cc1C(F)(F)F 2137382637 CPLDGWBHGIWOBO-LLVKDONJSA-N 439.272 4.959 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)OC1(C)C 2163716688 UEHHNZUTFWBCLE-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cnc2C#N)[C@H]2CCCC[C@H]21 2179397933 KNWWLLHDMZRTIR-JCKWVBRZSA-N 435.366 4.553 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(Br)cnn2CCC)C1 2197749900 VLLZFSSPMRUNEB-QGZVFWFLSA-N 441.414 4.710 30 10 IJEE C=CCC1(Nc2cc(OC)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)CC1 2202312708 YGDACMDUNAIKSF-UHFFFAOYSA-N 440.382 4.798 30 10 IJEE C=CCCCCCCCC[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2207428601 YOCGVVOHZVFJOJ-WENCNXQZSA-N 437.602 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C 2220388378 QXDLLISVYTVYPN-QQRGBMMLSA-N 446.632 4.524 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CC1(N(C)C(=O)OC(C)(C)C)CC1 2235719595 AZQZGOOZWHNIQQ-SFHVURJKSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C12CC(CN1C(=O)OC(C)(C)C)C2 2235749666 MJYLAYWYPGAONZ-COFLGROHSA-N 433.390 4.568 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@@H](N)C#Cc1ccccc1Br 2237310006 LQEZJWIKPKWAPE-SFHVURJKSA-N 431.330 4.856 30 10 IJEE C=CCCC1(C(=O)Nc2cc(Cl)ncc2Br)CN(C(=O)OC(C)(C)C)C1 2266236858 VSNLBRGETDRCAE-UHFFFAOYSA-N 444.757 4.639 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@H](O)C#Cc2ccc(Br)cc2)CC1 2296268720 IENHBUCFMOKIMX-QWFCFKBJSA-N 436.390 4.883 30 10 IJEE CC1(C)CC[C@@](O)(C#Cc2ccc(Br)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 2296289229 PJKLFJMCNBSSHG-VGSWGCGISA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](N)C#Cc3ccc(Br)cc3)CCC[C@@H]12 2296296206 LJJKUQFCLWYZPG-KNKQGSTJSA-N 433.390 4.698 30 10 IJEE Cc1ccc(N=C2NC(=O)C(=Cc3cc4c(cc3Br)OCO4)S2)cc1C 2313670737 SLKQAKABZOMOLH-UHFFFAOYSA-N 431.311 4.686 30 10 IJEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)cc1 2322379283 HNCYRJFSOGSZJD-UHFFFAOYSA-N 432.564 4.948 30 10 IJEE COc1ccc(C=NNc2cnn(C(C)(C)C)c(=O)c2Cl)cc1OCc1ccccc1 2322601334 FDIHRWNLEQUOOZ-UHFFFAOYSA-N 440.931 4.685 30 10 IJEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)o1 2322667477 KKIMQEXJWNQHAR-UHFFFAOYSA-N 434.444 4.703 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)cc(C)c3C2=O)cc1 2323896670 HSDAIIGYTVGHLA-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)ccc1F 2323972726 OREAHGXRGVBMRZ-UHFFFAOYSA-N 440.471 4.766 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)c1 2325717811 QNQUDHCTNQWHET-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325736227 ZVHWPIBFQJZWOU-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(O)cc1 2325951461 BUHKUJAOJXZRQZ-UHFFFAOYSA-N 443.370 4.887 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(OC)cc1OC 2326991811 QLULDCWGYZPPCG-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccncc2)cc1 2329241475 UTSSKKSQEJEXKK-UHFFFAOYSA-N 429.549 4.755 30 10 IJEE OCCCSc1nnc(-c2ccccc2Cl)n1N=Cc1c(F)cccc1Cl 2329610731 DSRMAWNQIIJDKK-UHFFFAOYSA-N 425.316 4.748 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 2331019340 OAMQCRDAKPYGNM-UHFFFAOYSA-N 435.553 4.557 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccccc2OC)c(OC)c1 2331056916 WMMTXKXTWNSCNV-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccc(F)cc1 2331326104 BTJZWZWKNXBMGN-UHFFFAOYSA-N 439.560 4.935 30 10 IJEE CCc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331434406 WAEAZEBIDOCEEE-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CC(C)Cc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331456468 QAQCDBAXAGMNLR-UHFFFAOYSA-N 445.932 4.918 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2337522204 ZQZFEVRGSBPVHV-QZTJIDSGSA-N 425.367 4.720 30 10 IJEE CC[C@@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339574038 BOKROMTXDAVTCB-HSZRJFAPSA-N 433.405 4.827 30 10 IJEE COc1nc(Oc2cccc(OCc3ccccc3)c2)ccc1B1OC(C)(C)C(C)(C)O1 2339828925 KUVJAGYWGSHURK-UHFFFAOYSA-N 433.313 4.761 30 10 IJEE CC1(C)OB(c2cc(Oc3ccc(Br)cc3Cl)ncc2F)OC1(C)C 2345679128 YDYRVOFJWPOPTA-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC[C@@H](NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363842911 CKSHDQRJFLERTC-JYFHCDHNSA-N 448.460 4.939 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](CCc2ccc(OC)cc2Br)NC)C1 2364846589 MJRYGJYWYBWFHW-GOSISDBHSA-N 439.394 4.592 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1c(Br)cnn1C(C)C 2367979996 DHIDOXPBVAOKKJ-HXUWFJFHSA-N 437.334 4.532 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2cc(C)ccc2C)c(C)n1 32972865 XOKYEAUDXPEEMK-UHFFFAOYSA-N 446.599 4.682 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(Cc1ccccc1)CO2 41587266 SWEUVOFLNMQWQJ-JJFYIABZSA-N 428.444 4.872 30 10 IJEE COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O 41659553 WAQWBDFEPFDJJR-FMCGGJTJSA-N 444.443 4.572 30 10 IJEE CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCc1ccccc1 58949836 DLBCBLOUEIBXIK-JOCHJYFZSA-N 447.531 4.756 30 10 IJEE O=C(O)c1ccc(N/C(=N\Cc2ccccc2)NCCOC23CC4CC(CC(C4)C2)C3)cc1 65302145 FICJMCARIKZXBB-UHFFFAOYSA-N 447.579 4.928 30 10 IJEE CCCN1C(=S)N[C@H](c2cc(Br)ccc2O)C(C(=O)c2ccccc2)=C1C 169929027 RWHIDGXFCLWQDJ-LJQANCHMSA-N 445.382 4.953 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccn2)c1 169998045 CWRWPKPCLYEOAI-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCN(Cc1ccccc1)C1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 170007140 BQAUNRNUHQANRR-UHFFFAOYSA-N 435.527 4.982 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170053382 DCPTYMDPNJUBIO-JOCHJYFZSA-N 430.435 4.567 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(C)c1 170141776 BXXRYYXGQPBPSD-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)c1 170170603 QRDIDCPEAFPSOO-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)c1 170173054 CKWGGGOUNWFIJR-HSZRJFAPSA-N 428.488 4.899 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccn1 170179061 IIXHLIHODAFOMQ-HSZRJFAPSA-N 441.531 4.861 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)c1 170199334 MZBWTNUFPKZTPW-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccncc1 170203220 HAAYHYABUUKZET-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1c[nH]c2ccccc12 170255249 OYKQWVJYGIFJKB-JOCHJYFZSA-N 434.492 4.564 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@@H]1c1ccco1 170297125 ADCVAZTUAHPJDD-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 170332363 UNCXNCOJUIIXMJ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 170446950 DPVCLMDNBSPSSB-LJQANCHMSA-N 435.549 4.878 30 10 IJEE CCc1ccc(OCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 170509422 HGVRDHZVVRUBMX-UHFFFAOYSA-N 439.519 4.879 30 10 IJEE Cc1cc(N)c(C#N)cc1Nc1ccc(I)cc1Br 311455844 UGVTXYRURYJVGM-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F 448341351 IRWDONWJNANDRQ-UHFFFAOYSA-N 441.259 4.540 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 460563052 BYYDHEBASYUDLN-HSZRJFAPSA-N 448.567 4.930 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)Cc1ccon1 460782161 IDFYTLQYUCFEQJ-UHFFFAOYSA-N 433.487 4.864 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 509013894 VKAGEJCHEMXHPA-SFLYRZDNSA-N 430.552 4.712 30 10 IJEE COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526487939 BKBZRGGWFSGYRM-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE Cn1cc([C@@H](NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C(F)(F)F)cn1 582465898 KVHVGUVRXRNDAK-VXGBXAGGSA-N 448.289 4.645 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)cc1 586090540 ASVCYWIYVXQNJQ-PASKKGIKSA-N 449.595 4.907 30 10 IJEE C=CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(C)c(C)cc1OC 586161988 NBYZBFNEFJXHTR-UHFFFAOYSA-N 442.625 4.543 30 10 IJEE C=CCC1([C@H](Cc2cncc(Br)c2)NCCC)CN(C(=O)OC(C)(C)C)C1 722920392 LBERBCJTKGWWIG-SFHVURJKSA-N 438.410 4.568 30 10 IJEE CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740059076 FJWACQWUFFYSMN-IBGZPJMESA-N 433.533 4.658 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 742593134 KOSRDZHSXMEHOM-UHFFFAOYSA-N 437.374 4.534 30 10 IJEE COc1ccc(CN[C@@H](C)c2cc(Br)cc(Br)c2O)cc1C#N 756757507 BXIDYWFZIMOBNO-JTQLQIEISA-N 440.135 4.648 30 10 IJEE O=C1/C(=C\c2cc3ccccc3nc2N2CCOCC2)CCc2ncc(C(F)(F)F)cc21 777467676 MOLMYBXSVOSGRC-VBKFSLOCSA-N 439.437 4.698 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)ccc1Oc1ccccc1 1128358988 AHFBJETXVKEDBM-IQGASKDCSA-N 441.487 4.994 30 10 IJEE C=CCc1cc(C(=O)OCc2c(F)ccc(Br)c2F)cc(OC)c1OC 1128423232 DOKWIBFXYCNWEN-UHFFFAOYSA-N 427.241 4.830 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 1128546113 GZDSSOWXVHIWEJ-SFHVURJKSA-N 425.813 4.590 30 10 IJEE C=CCCSCCNC(=O)c1cc2cc(Br)cc(Br)c2o1 1130882060 XTLAVSAUGNMSRT-UHFFFAOYSA-N 433.165 4.997 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CN(C(=O)OC(C)(C)C)C1 1137352213 OLJRNNPLZLTHAE-QGZVFWFLSA-N 445.629 4.541 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(COCCc2ccccc2)c1 1142331801 OEHCTIPLBIHGBT-QHCPKHFHSA-N 436.552 4.691 30 10 IJEE C=CCN(C(=O)c1cc(Cl)nc(C(F)(F)F)c1)[C@H](Cc1ccccc1)C(=O)OCC 1154301261 KFRXWGKPYXDDBC-MRXNPFEDSA-N 440.849 4.556 30 10 IJEE C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1156560005 FAPSFORGCBHHOR-DNVCBOLYSA-N 434.392 4.883 30 10 IJEE N#Cc1ccc(Br)cc1OCC(=O)NCC1(c2ccccc2)CCCCC1 1166307411 FAUMVNAZUJERIW-UHFFFAOYSA-N 427.342 4.718 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1199047487 CKRIECKOHHVHKX-UHFFFAOYSA-N 448.445 4.835 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1OCC 1203161429 NRAPGYUQMYVURT-AZUAARDMSA-N 448.405 4.647 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1ccc(Br)cc1 1252458780 MEYISOCSPBVCRH-FKBYEOEOSA-N 449.352 4.548 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1c1ncnc2sc(C)cc12 1264208915 WWOYWAISKQHGKN-MRXNPFEDSA-N 433.002 4.898 30 10 IJEE C=CCOc1ccc(OC(=O)Cc2cc(OCC)c(OCC)cc2Br)cc1 1265464705 LPGGJUUEJMSXCP-UHFFFAOYSA-N 435.314 4.959 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(F)cc1 1275426526 ZAGQBDAEBJQHCG-LJQANCHMSA-N 428.257 4.865 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ncc(CC)s1 1286277353 YBTJVIPSRKJLQU-HNNXBMFYSA-N 448.621 4.902 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCCC1(C)C 1286300674 BONKUVLNYAOCSC-AFMDSPMNSA-N 438.616 4.554 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1286328118 MYDSDFPSDZHYQF-AZGAKELHSA-N 443.595 4.672 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1286345157 VABDMIXGRAVAIR-UHFFFAOYSA-N 442.007 4.971 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CC[C@@H](F)C1 1286400401 FOPIHACILQYCGD-FGZHOGPDSA-N 429.543 4.564 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCCN1CCC 1286438220 RVBKSPILONGKKY-TZIWHRDSSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1286445449 KSSUJONYEIJSJK-LJQANCHMSA-N 431.625 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCc1nc(C(F)(F)F)cs1 1286519713 IQIJSLCQIOGFCK-HXUWFJFHSA-N 449.477 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1286568323 VYDFEOGPGQTSEN-GMAHTHKFSA-N 438.616 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1c(CC)noc1C 1286568741 WBNKQOJMVHMUII-QGZVFWFLSA-N 427.524 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCCC1 1286569301 LVURGTJQVGEWCT-UHFFFAOYSA-N 446.437 4.904 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1286599554 APYPCXILHOFQIE-AQNXPRMDSA-N 449.640 4.514 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCO[C@@H]2CCOC2)CC1 1286651240 XQSLADSPRVFFSM-LJQANCHMSA-N 449.020 4.576 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2csc3ccccc23)CC1 1286657279 WACPHCOUMCINEQ-GOSISDBHSA-N 440.613 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286668852 VFVBPZODISHYHG-UHFFFAOYSA-N 432.494 4.936 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1286678751 DHJSXQITRYHHHU-QFIPXVFZSA-N 441.583 4.687 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1286689224 YXQNSRCBYYKNIS-UHFFFAOYSA-N 439.652 4.771 30 10 IJEE CCOC1CC(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[C@](C)(C#N)C2)C1 1296917776 DXMGOLRJUSCSIW-XBEWDXHHSA-N 437.588 4.501 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1300349197 XJAVARQHQPBYMF-VWLOTQADSA-N 440.588 4.550 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1301164067 PXVUTDNSQCQCHD-QFIPXVFZSA-N 430.556 4.966 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301176030 NQPOZSJUMFIDPO-HSZRJFAPSA-N 427.549 4.851 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccnc(SC)c1 1301411553 ZCQGXRBWICVARL-UHFFFAOYSA-N 446.580 4.642 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2cccnc2)C(C)C)C1 1301554293 ZIOQZDYMIYDSJT-GMAHTHKFSA-N 447.583 4.570 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1Br 1307112556 GEZMDGPBALMZRK-MRXNPFEDSA-N 446.320 4.603 30 10 IJEE C=CCC1(O)CCN(Cc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)CC1 1308089421 NAPPUENRFSVYLC-UHFFFAOYSA-N 439.503 4.750 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1COc1ccc(F)cc1 1308110141 HGTHYIPGBMKTTN-HKUYNNGSSA-N 427.545 4.559 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccccc1[C@@H]1CCC(=O)N1 1311065739 ZHBNCDSKUXEPRG-IBGZPJMESA-N 446.320 4.759 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2n1 1311235560 LHWVETAZAAJFBV-UHFFFAOYSA-N 429.446 4.595 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1311951869 DAHMUEPRPLJFIT-JOCHJYFZSA-N 445.604 4.866 30 10 IJEE CCCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1313508531 HPLZIFWLGDFUSN-UUOWRZLLSA-N 425.577 4.767 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccccc2Br)cc1OC 1356058052 IOKGCXQPDMEZIF-YBHKSSGVSA-N 430.342 4.783 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(F)ccc2OCCOC)s1 1358058325 QTSCXPRFBGQHKW-UHFFFAOYSA-N 430.954 4.642 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCn1ccnc1C 1358874055 RNDRCDOAHQDHHY-ZWKOTPCHSA-N 440.979 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCCN1CC 1358881441 GILRCBGAJWYVDT-JTHBVZDNSA-N 437.632 4.702 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1358935967 YMOXGTQZQYTGJB-SFTDATJTSA-N 426.630 4.932 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](CC)OC 1358987262 YUWPOPWAPGCGFF-INIZCTEOSA-N 426.973 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCc1ccc(Cl)s1 1358997480 UXPGSHWXQOMXQH-UHFFFAOYSA-N 438.984 4.586 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1 1359050736 AUAKOZLHBRLQKW-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCc1cc(Br)ccc1F 1359110536 QLTYZPGDQCVBEC-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H](C)SC)CC1 1359173458 GUWZGMDWUXSDII-ZWKOTPCHSA-N 430.618 4.971 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359185867 MOBBUMZGZKXUSZ-FQEVSTJZSA-N 437.632 4.987 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359200996 YWYGWNIBTRIFAF-WZONZLPQSA-N 430.980 4.729 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)CC(C)(C)C1 1359202946 FTZQDLJXGKLUPH-FQEVSTJZSA-N 437.636 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ncnn1C(C)(C)C 1359264044 STMHCSQMWDSFCV-UHFFFAOYSA-N 427.622 4.516 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(OC(C)C)CC1 1359310365 UMVOERDXWXKOHD-UHFFFAOYSA-N 426.605 4.874 30 10 IJEE CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1435866676 DSXZGWSTDIFFJC-HXUWFJFHSA-N 445.544 4.611 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 1445699033 ISSWLVYXIKIJEL-SLFFLAALSA-N 434.577 4.724 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 1446790507 DXRZPLWZFKTASC-QUCCMNQESA-N 430.593 4.957 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(F)c(SC(C)(C)C)c(F)c2)c1 1449894838 ZSAHPOMFZHDLNV-UHFFFAOYSA-N 440.537 4.572 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)C1 1452478146 VADABZZKLWKJBI-HXUWFJFHSA-N 438.593 4.624 30 10 IJEE C#CCOc1cccc(OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 1456135998 RLCICXIZSIBTLP-UHFFFAOYSA-N 426.447 4.839 30 10 IJEE N#Cc1ccc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1C(F)(F)F 1456940509 BEAPXLVSSHGZCG-UHFFFAOYSA-N 435.203 4.778 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c(C3CC3)n2)cc1OC 1460547277 RIYXCUMQKIUSGC-VZUCSPMQSA-N 429.314 4.947 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)c1ccccc1 1461142555 VEOZVPIWILEBJM-LJQANCHMSA-N 448.935 4.764 30 10 IJEE Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)N(CCC#N)CCC(C)C 1464915429 HVCPDSCXQCANTG-UHFFFAOYSA-N 448.633 4.968 30 10 IJEE CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 1464983231 CGBWOLNYXFVYRZ-HXUWFJFHSA-N 446.776 4.883 30 10 IJEE Cc1cccc(COc2ccc(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)c(C)c2)c1 1465589541 CXBOXDNXVXOHJF-UHFFFAOYSA-N 441.535 4.503 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC(C)(C)C)CCCCCC1 1469787048 LIFRZPRLIMURAB-INIZCTEOSA-N 445.000 4.573 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(OC)c1 1472999376 ONVWHJHNTVLVLG-UONLAYADSA-N 440.613 4.561 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21 1474236527 DIWGCQMHCNIMTL-DFQSSKMNSA-N 447.170 4.652 30 10 IJEE C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1476056537 GXEPTPYPTQWDJO-AZYRPFHASA-N 434.521 4.708 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C)c1ccc(Br)cc1 1478491452 CRVZAJCHNDJXKC-ACRUOGEOSA-N 441.369 4.807 30 10 IJEE CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccnc(Oc2ccccc2F)c1 1495452321 GWARXXXBYWQVSY-QMHKHESXSA-N 438.482 4.608 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)cs1 1503921216 ASJRHWGEOIDBCL-QWHCGFSZSA-N 448.955 4.546 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OC)CCCC1 1507681962 HFEKSZSMZDRHJW-UHFFFAOYSA-N 434.540 4.536 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC2(CCCC2)C1 1507758042 GYIJPRQZMXLLTG-UHFFFAOYSA-N 442.654 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 1507797978 TZPTYGHVULPBFG-LJCCNALRSA-N 445.405 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCCCC2)nc1 1507818585 SOTZADSTESEIKL-UHFFFAOYSA-N 434.563 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1507819011 ZWXHORULZURTMR-SFHVURJKSA-N 442.608 4.554 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCC2(F)F)CC1 1507892223 MMMWSEODUJEOAR-GOSISDBHSA-N 432.515 4.848 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507926958 WJSXXQZLOWZNDE-OZXSUGGESA-N 448.615 4.662 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1507946302 MWVGSHQJHGPUFI-UHFFFAOYSA-N 436.604 4.512 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507986316 MGBVHMJMVZSSJY-QZTJIDSGSA-N 434.053 4.966 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCC[C@H]1C 1508014794 DSRPBJAEZWJPTI-RBUKOAKNSA-N 425.646 4.794 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2cccs2)C1 1508129344 QMUQEZQYXMLRID-IBGZPJMESA-N 440.638 4.964 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)CCO1 1509092803 GXEDYMKFRCOMNM-QHCPKHFHSA-N 437.588 4.560 30 10 IJEE C=CCC[C@H](NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 1519590097 QJFQVLPSRSIYKO-HCSGDKDASA-N 430.426 4.873 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)Cc2ccccc2C1 1522382065 AAJHZXQTMALJLS-UHFFFAOYSA-N 449.551 4.736 30 10 IJEE C=CCN(C(=O)c1cc2c(Cl)cccc2nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1522958368 DTBJZPOVNMZKIK-QHCPKHFHSA-N 436.939 4.999 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCCOc1ccc2c(c1)CCCC2 1523502280 JSUXXJOFHIEMBL-UHFFFAOYSA-N 438.520 4.854 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CCCN1C(=O)OC(C)(C)C 1526921602 XEOVUMDKAJCGKN-CEYNDMKZSA-N 443.588 4.585 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)s1 1528867109 DBWXYHMGKAARNC-INIZCTEOSA-N 436.046 4.572 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnc(Oc2ccccc2)cn1 1529353436 CXUIZOSIKOWHBF-OAHLLOKOSA-N 426.398 4.842 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc3c(cc2Cl)OCCCO3)CCCN1C(=O)OC(C)(C)C 1532738084 OAYFJTHOMTUFGI-JOCHJYFZSA-N 436.936 4.786 30 10 IJEE CCCCN1C(=O)CC[C@H](C(=O)O[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1ccccc1OC 1533618603 DKRMQKGYHCEXKJ-KDSXSNECSA-N 434.536 4.951 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1ccccc1 1536283119 MXEURBKYEHGICT-JXALWOEJSA-N 440.609 4.791 30 10 IJEE CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[nH]1 1537180476 GIIDBUSWAZGDPA-UHFFFAOYSA-N 446.507 4.632 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCSC1(C)C 1539239362 KWDPRMSTVYYEJT-ROUUACIJSA-N 443.016 4.676 30 10 IJEE C=C[C@@H](COC)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1539367438 RFOCVMNKJSVYAT-NRFANRHFSA-N 427.504 4.632 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(-c2ccsc2)nc1 1539372118 QSLARKVTJUJXKF-UHFFFAOYSA-N 431.540 4.639 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCCN1CCC(C)CC1 1539559105 UTJIUCZIGQRYPF-AREMUKBSSA-N 437.607 4.512 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](C)C1 1539579130 HUTNGHMEKOJDDG-SOLBZPMBSA-N 449.393 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1539623748 OLNCCUDNWWTSFB-XLIONFOSSA-N 448.489 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCNC(=O)C(C)C 1539651663 IULQJNSZYXEEKI-UHFFFAOYSA-N 446.020 4.988 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1539684851 JVJCAJVDILCCNR-NHCUHLMSSA-N 439.604 4.890 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539694750 LXBQUMFPDIUKQA-IAGOWNOFSA-N 445.995 4.914 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539701235 AYJZKQUCRQUSAJ-IMWIBFENSA-N 429.609 4.738 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCN(CC)C2)CC1 1539856194 UASGUCRATVKRNC-NRFANRHFSA-N 437.632 4.653 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCCN2CC)CC1 1539875381 XAMVWFHSNKKHLD-JTHBVZDNSA-N 437.632 4.922 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1539940279 PMKFUGHRSZLZOR-QUCCMNQESA-N 442.567 4.686 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC1(C)CCOCC1)C1CC1 1540102855 VTVIBXZRYSFUMJ-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1540133908 PHYMWARKVJIYAS-XUZZJYLKSA-N 449.624 4.808 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)s1 1540671446 ONVQZTGFNGBPHF-LJQANCHMSA-N 432.549 4.793 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(N(CC)CC)CC2)cc1 1540877143 LYBPTMZCDUKZCN-UHFFFAOYSA-N 449.599 4.770 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1540915684 NHQMKJFMRAQQRA-GOSISDBHSA-N 439.412 4.959 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@@H]1C 1543707476 JDFIGQGEUNCIME-WWPVKYPJSA-N 432.564 4.652 30 10 IJEE CC[C@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1546626417 ANEQTBXAFDMDAG-CTNGQTDRSA-N 444.583 4.726 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1554162467 ASQPQVSQESWMNG-PKTZIBPZSA-N 444.583 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(OCc2ccccc2Br)c1 1556399380 LKXCEZYMJWYULD-UTKZUKDTSA-N 430.342 4.739 30 10 IJEE C#CCN(C(=O)c1ccc(-c2cccs2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1558369896 DMYQYHXLRMLPQK-UHFFFAOYSA-N 430.595 4.952 30 10 IJEE C#CCN(C(=O)c1cc(Cl)c(Br)c(OC)c1N)[C@H]1CCCc2ccccc21 1558541693 OABYCJHEOBTWAZ-KRWDZBQOSA-N 447.760 4.846 30 10 IJEE O=S(=O)(N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1cccc(OC(F)(F)F)c1F 1561879504 DUQXYKSTAYMNMJ-NWDGAFQWSA-N 443.340 4.578 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 1562305724 KFTNTOFDRDFVRK-UHFFFAOYSA-N 443.478 4.614 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 1562368851 DBNWZOLWYKBLMG-SUMWQHHRSA-N 446.935 4.800 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2n1 1563301924 OPVXKSIIFTWRAL-UHFFFAOYSA-N 432.311 4.679 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(c3noc(-c4ccccc4OC)n3)CC2)c(Cl)c1 1563327024 WMYDPXYRZBBCQJ-UHFFFAOYSA-N 436.899 4.791 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 1563901013 ZYZKIYMRXOCYEU-DUXKGJEZSA-N 439.522 4.513 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1 1564524974 VXVMWMJYYXKTES-HXUWFJFHSA-N 433.577 4.980 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc2ccc(Br)cc2c1 1565278887 HWHDRBIEDUIOFN-UHFFFAOYSA-N 443.341 4.976 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4cc(C)ccc4OC)cs3)n[nH]2)c1C 1565623849 PBXCBOJVOGPKGZ-UHFFFAOYSA-N 448.552 4.769 30 10 IJEE CC#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 1583661565 JSILZDWHCLHJPY-NZCCEVMUSA-N 430.935 4.879 30 10 IJEE Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1S(=O)(=O)Nc1ccccc1Cl 1587604661 BXUBICMMAQOCCD-JOCHJYFZSA-N 443.956 4.862 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1587807778 IQVDQXSFADBLAX-FHWLQOOXSA-N 430.980 4.715 30 10 IJEE C#CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1cccc(C)c1C 1587898856 ZRMPSTZRWANMHE-YLJYHZDGSA-N 440.498 4.969 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H](SC)C(C)(C)C 1589233974 OELBEHXKWYBHCF-SQJMNOBHSA-N 440.657 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(N(C)C)CCCC1 1589599909 PAEQBFPMRCUXFQ-IBGZPJMESA-N 429.584 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1594484794 WSEYADIMLNOKEA-UHFFFAOYSA-N 446.599 4.943 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCC(F)(F)C1 1594552611 PDTLPMSTDUIBIJ-IBGZPJMESA-N 437.579 4.912 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1oc(CC)nc1C 1595134432 ZWZCYYDJVBAFGS-FQEVSTJZSA-N 439.535 4.759 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1595266897 MNGKYZULTOWVRH-QHCPKHFHSA-N 439.648 4.517 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1595844389 ASQFROSIJCKBJR-PKTZIBPZSA-N 439.673 4.804 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)C(=O)OC 1596245061 SZVCUDHGJHNOLU-GOSISDBHSA-N 445.972 4.736 30 10 IJEE C=CCn1c(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc2cc(Cl)ccc2c1=O 1613136371 YYKXHFNHCCEMPJ-AWEZNQCLSA-N 435.977 4.585 30 10 IJEE CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1617087043 HQKBJUYVIYBWNE-QFIPXVFZSA-N 434.540 4.677 30 10 IJEE C#CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br 1622115620 ICTMROMMHNIKKG-UHFFFAOYSA-N 433.154 4.580 30 10 IJEE Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3CC#N)cc2Cl)n1 1625733100 FIYUEYGDQSNJQA-INIZCTEOSA-N 435.915 4.671 30 10 IJEE COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1sccc1C#N)CC2 1626073729 FDIVYRHHDNHAAJ-LJQANCHMSA-N 425.535 4.878 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 1626836880 RYTVSNKTIZDKCW-RTBURBONSA-N 444.963 4.783 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1Oc1cccc(F)c1 1628613445 GOYQVKGUCLYSIP-HXUWFJFHSA-N 426.488 4.541 30 10 IJEE C=CC[C@H]1CCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)C1 1628733810 GBVZTSGJEFEVDI-QFIPXVFZSA-N 435.568 4.900 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1Br 1629090955 TYFQTJDBZGJSKF-UHFFFAOYSA-N 432.167 4.751 30 10 IJEE C=C(C)COc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3O)n2)c1 1632376151 OFPBMOXZOVAZTN-UHFFFAOYSA-N 437.521 4.546 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccccc2N(C)C(C)C)nnc1-c1ccco1 1633675046 ZABXTOBVQAFSRC-UHFFFAOYSA-N 425.558 4.690 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)c1 1635835490 RZYOLSVDMRZMFY-FQEVSTJZSA-N 447.556 4.554 30 10 IJEE C=CCn1c(SCC(=O)Cc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 1640683859 MIOCQHSVBVJWJW-UHFFFAOYSA-N 430.982 4.690 30 10 IJEE CC(=O)c1cccc(C#N)c1OCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 1652167924 WVTGKSWIYJVWTL-HSZRJFAPSA-N 437.499 4.569 30 10 IJEE C#CCN(C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@@H]1CCc2ccccc21 1652348069 UIZNPBUCJAKEJR-RCZVLFRGSA-N 434.580 4.926 30 10 IJEE C#CCN(CC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Cc1ccc(F)cc1 1652408019 YVJKTQQHGHVHIH-RUZDIDTESA-N 439.534 4.691 30 10 IJEE C=CCn1ncc2ccc(NC3CCC(NC(=O)COc4ccc(Cl)cc4)CC3)cc21 1653178330 WWZHZRCJCQZQIX-UHFFFAOYSA-N 438.959 4.794 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br 1655995894 SVUSDVIASRZRAH-FZMZJTMJSA-N 437.197 4.625 30 10 IJEE C=CCCN(OCc1ccccc1)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1658316632 HJVAOLRVMRMVGR-INIZCTEOSA-N 441.553 4.541 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2ccccc2Br)CC1 1662863911 CGPIMGRTNYINGY-UHFFFAOYSA-N 439.762 4.542 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1ccc(CC#N)cc1 1665115131 AHFWXJNLLIUOAL-XZOQPEGZSA-N 434.540 4.796 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc(OC)c1OC 1666473219 CZRUJWFKRIWZHE-UHFFFAOYSA-N 444.491 4.813 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(Br)ccc1N1CCCC1 1667767639 XYFCUQFFRDSMEI-UHFFFAOYSA-N 430.346 4.936 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1669834428 ITDQIGSMHRVZCB-FQEVSTJZSA-N 436.556 4.684 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 1670260702 RSYVKGMSACOQBI-CYBMUJFWSA-N 436.965 4.831 30 10 IJEE COc1cccc([C@@H](C)N2CCN(C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)c1 1671685721 CPFVIZIDSCPWTK-MRXNPFEDSA-N 426.586 4.837 30 10 IJEE CC1(C)CN([C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)CCO1 1672793403 BYJXALCDNHQEHS-FQEVSTJZSA-N 447.366 4.839 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1674035748 DWIDOUAXSWVRFQ-JVPBZIDWSA-N 437.943 4.631 30 10 IJEE C#CC[C@H]1CCN(C(=O)NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)C1 1675097303 PWJFQPHGUZLLBU-SIKLNZKXSA-N 445.563 4.762 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccc(F)cc1 1682584827 SEMVAINWVLIGLJ-OAQYLSRUSA-N 437.515 4.687 30 10 IJEE C=CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1)C1CC1 1683752901 SUZNJCDKDUQAEN-VXKWHMMOSA-N 443.588 4.538 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCc1nc(C(C)(C)C)cs1 1689854742 HCZZDQDXZSLZEM-OAHLLOKOSA-N 443.567 4.602 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1689919419 NNZUNTATAOYEEC-WBMJQRKESA-N 447.288 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCc1nccs1 1690198556 STYLEQQQWJDVCP-JOCHJYFZSA-N 441.988 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1C(C)C 1690248618 OUCBAIXAJRNSCE-LXBDKUERSA-N 430.543 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1690248928 QVPSQKXZLVJWOG-IMSXRSKXSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCc1cccc(C)n1 1690271189 HMMMKBVHCRTVDB-UHFFFAOYSA-N 425.964 4.859 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(N(C)C)nc2)CC1 1690364050 HYTQYIYGNSSHCT-OAQYLSRUSA-N 446.599 4.701 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCSc2nccs2)CC1 1690382176 FFVNGZCCSBIATL-UHFFFAOYSA-N 441.626 4.961 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690476875 SHXAXXBLZYQMTF-DNVCBOLYSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1690486557 MGTAWJHJJHFSBD-LJQANCHMSA-N 438.551 4.865 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C)CCCC2)C1 1690688711 ZOTHYJHKTHJXGB-IBGZPJMESA-N 432.515 4.908 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCC2)CC1 1692369292 AFEKJJQADNWNQV-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE CCOc1cc(CCCn2c(C3CCC3)nnc2N2CCC[C@](C)(C#N)C2)ccc1OC 1696104146 BMXQBJKDOQHMRS-RUZDIDTESA-N 437.588 4.716 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1csc(CC)n1 1705479496 MFNIJVNHNNFLBL-HNNXBMFYSA-N 448.621 4.902 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCc1csc(C(C)(C)C)n1 1705501287 XNNGQRSMTDIHAU-GOSISDBHSA-N 446.624 4.736 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705604328 KDRXJXSNVMERDS-JQVVWYNYSA-N 442.579 4.858 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1C1CCCCC1 1705609224 USEHXDCZPMMRHP-HXUWFJFHSA-N 426.008 4.855 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC1CC(F)C1 1705654744 SBEXHOOLUKGAOU-UHFFFAOYSA-N 432.634 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccccc1OCC(F)(F)F 1705670978 QEJAEWHOBZMYCK-JOCHJYFZSA-N 444.457 4.828 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCS[C@H](CC)C1 1705697181 SSVJNIQCCIQUFQ-VSKRKVRLSA-N 426.630 4.821 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1705727665 SFIATZPYGBZFHM-UZLBHIALSA-N 428.533 4.600 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC1CCOCC1 1705732121 NWRGVUXTNVWGOY-UHFFFAOYSA-N 444.645 4.731 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCn2cc(C)cn2)CC1 1705777521 DPRRPHFCVKNETI-UHFFFAOYSA-N 431.371 4.859 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCC2CCN(CC)CC2)CC1 1705783409 GSPLCHMZBAAYDF-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1705789728 VAUCQEYMTFLWRK-MRXNPFEDSA-N 427.622 4.806 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCSC1 1705795392 IUZBNCNUMVVAKI-MSOLQXFVSA-N 449.665 4.894 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)c1ccccc1 1705797574 YNLNOBCHRPGNMT-MISYRCLQSA-N 436.522 4.993 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1705811838 LPOCHAAPSIBXFA-TZIWHRDSSA-N 427.568 4.588 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@@H](C)C1 1705870221 OYBOUMQIVLIAMB-DLBZAZTESA-N 431.378 4.701 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1CC1C[C@@H](C)O[C@H](C)C1 1705878196 KCXCYPXYXCXNQQ-FGZHOGPDSA-N 445.611 4.703 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCC(F)(F)CC1 1706743464 BCYTVCNKXILLTL-LBPRGKRZSA-N 441.324 4.600 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(-c2ccccc2F)nnc1N1CCC(CC#N)CC1 1708044549 CZXNVLYGKKBGQI-XMSQKQJNSA-N 425.552 4.810 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)C1 1708866725 DWMHVUBFZVXJEH-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1CCC1CCOCC1 1711076545 DKMAKWGNBXIZMY-UHFFFAOYSA-N 441.988 4.985 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCC1(COC)CCCC1 1722394001 NXVKOYCQQWDXJJ-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2ccsc2)CC1 1722453727 AKUHWGBKJBESJV-UHFFFAOYSA-N 438.622 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cc(C)on1 1722494523 CNTHIIFAZRQSAN-QRWLVFNGSA-N 445.926 4.652 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H]1CSC 1722495937 IQRDBHBSBQGSRJ-QKLQHJQFSA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CCc1nc2c(s1)CCCC2 1722505317 NGHQJAZPGPHLCP-UHFFFAOYSA-N 437.613 4.934 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1722533170 JYPLLDSDJMQIMV-QFIPXVFZSA-N 426.605 4.600 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cc(C(C)(C)C)no2)CC1 1722568556 QNVWVQVBDTVTOC-UHFFFAOYSA-N 435.572 4.964 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1722569702 KTTCPOHREFBVFV-CVDCTZTESA-N 442.579 4.994 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1722569703 KTTCPOHREFBVFV-WMZHIEFXSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722587035 WZBISFBRYWUYSX-LJQANCHMSA-N 436.535 4.524 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1722594283 IWKBDMWBZKIFOA-NRFANRHFSA-N 428.540 4.941 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1722596228 FMWSZWYJBBAAPO-UPVQGACJSA-N 445.611 4.875 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1722596781 NIAQRWYOPWMZJF-ILBGXUMGSA-N 445.611 4.877 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](c3ccccc3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722609853 HGKYJKULCUOFCK-GJZUVCINSA-N 438.616 4.977 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1722658699 ILFMNIIJNJRRGZ-QGZVFWFLSA-N 431.556 4.564 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCSC1 1722660391 UXJXISSZCIGRFM-AZUAARDMSA-N 430.593 4.647 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CCc1ccccc1Cl 1722676542 CUUWYXBAROXKIV-LJQANCHMSA-N 426.948 4.506 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCCCC1 1722863131 HUBMVYRYCKHAEZ-INIZCTEOSA-N 443.020 4.895 30 10 IJEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccs1 1723723790 ADBHOOBQLBBFPE-FQEVSTJZSA-N 437.569 4.557 30 10 IJEE CCOCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1728957357 IBKAYDROHFHNFB-KOSHJBKYSA-N 443.567 4.750 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCO[C@@H](C)C1 1729998011 GCSVULCWARSFSK-YGKZAACZSA-N 443.979 4.552 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1CC2(CCOCC2)C1 1740678505 DDTQTBAJDPNICU-UHFFFAOYSA-N 438.591 4.852 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 1740738276 FNQNNDXHQSJYMQ-ZDUSSCGKSA-N 445.283 4.701 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)cc1 1740763500 LUWMOBIQYBWODM-DENIHFKCSA-N 426.561 4.687 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(C)C)C1 1740787940 MICPEWUOLRVQGL-QUCCMNQESA-N 444.645 4.585 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(CCOCC)CCC2)CC1 1740829858 NJONEXJFRRZNHM-NHCUHLMSSA-N 430.637 4.950 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(O)CC2)CC1 1740832343 CIDNTXSWEHXFFB-QGZVFWFLSA-N 430.980 4.616 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1740832667 FZWKWUCZZYZZFN-AWEZNQCLSA-N 434.487 4.572 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1740842596 FVLALZPILKSQFK-MANSERQUSA-N 442.526 4.698 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1740853902 JMYGFCDTGCTKGD-PZJWPPBQSA-N 435.597 4.595 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740860480 GGUGDMHPFNBBOS-IBGZPJMESA-N 429.012 4.662 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1 1740861744 WYCWHZYFERFQRD-UHFFFAOYSA-N 433.379 4.552 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(Br)cc1)C1CC1 1740909405 KRRUPSZCVORSAJ-UHFFFAOYSA-N 438.373 4.809 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1740914029 YXVKSXHSSCUHKC-YKSBVNFPSA-N 449.599 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1 1740924506 UTPFXQKABHOXSF-RDPSFJRHSA-N 437.613 4.866 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)[C@H](C)CC 1748646956 GEWQRJMQGJAARX-UWVAXJGDSA-N 437.613 4.896 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C1CCN(CCC)CC1 1748701941 UMGRGBUMDRVKTA-UHFFFAOYSA-N 444.627 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1nc(C)cs1 1749080612 QMIDDZUZHHCHMR-VEBYGKHWSA-N 441.645 4.757 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC)(CC)C1 1749090383 NSADQBZHZXKKCM-UHFFFAOYSA-N 434.338 4.778 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 1749115120 LWULSMPXIMGXAM-HUUCEWRRSA-N 447.368 4.587 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(CCOC)CC(C)C 1749127916 PUVKJFDCODAQPR-XXBNENTESA-N 437.588 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)c1ncc(C)s1 1749149303 ZDPDMGUEILRHLY-INIZCTEOSA-N 439.585 4.687 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C(C)C)C1 1749182151 PTIPDHVVTFBQCF-KRWDZBQOSA-N 439.785 4.798 30 10 IJEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1749265878 AHAZVEKSMBGJJD-MRXNPFEDSA-N 435.950 4.850 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCO[C@H](C)C2)CC1 1749335991 WGJLKWZJOPSRII-AEFFLSMTSA-N 430.980 4.825 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](c2ccco2)N(C)C)CC1 1749347435 BGJWIUCTIZBIJW-QFIPXVFZSA-N 449.599 4.772 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@@H]2CCCCO2)CC1 1749352224 HOLQYXWUEMWXCP-BHDDXSALSA-N 430.637 4.948 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](CC(N)=O)C1 1749393366 SCLURXGGFCOEQN-OAHLLOKOSA-N 436.387 4.700 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1749527987 YNMKEBTZZMXAIY-SJLPKXTDSA-N 444.649 4.549 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cscc1C)C1CC1 1749528011 ZSFCELTUOASJEM-IBGZPJMESA-N 443.617 4.923 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCO[C@@H]1C(C)C 1749528307 LEMJGWSKZXBTMR-IFMALSPDSA-N 426.605 4.838 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1749545162 VWHITXXESBJRRN-OFNKIYASSA-N 444.595 4.988 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(N(CC)CC)CC1 1749640764 CNQVPLBFGVMGBC-UHFFFAOYSA-N 425.621 4.786 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](CC(C)C)N(C)C 1760126043 XGIHTWDEBKJIAW-HKUYNNGSSA-N 434.053 4.658 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)c1c(C)noc1C 1760198705 NTDWCRHAZLRXIG-AWEZNQCLSA-N 442.350 4.733 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CC[C@](C)(CC)O1 1760214831 CZTASQCKDRIDAM-MBSDFSHPSA-N 428.939 4.548 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1760282883 UERDWNYDJDHUQM-FQEVSTJZSA-N 440.613 4.647 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N(CCC#N)CC1CC1 1760301710 HSJIWMJMVIFRGQ-IBGZPJMESA-N 428.378 4.859 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCCCC2)nc1 1760338271 HPWXRDKAHZBOIN-UHFFFAOYSA-N 448.590 4.844 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1760406820 MQQQJRZNEOJRIG-GOSISDBHSA-N 429.584 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C(=O)NC 1760409261 PNMGIPCFKQYCCF-KRWDZBQOSA-N 443.661 4.696 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCS[C@H](C(C)C)C1)c1ccccc1 1760417878 JTYBMCSVOHZSJQ-UNMCSNQZSA-N 434.613 4.673 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760435565 NQJARJVHTUZDSC-SFHVURJKSA-N 437.519 4.502 30 10 IJEE C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1763206898 AQPXZMORBJAJRX-MCFFVMPBSA-N 431.943 4.540 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCc1c[nH]nc1C 1765093369 DXBAJIDUURIKPU-UHFFFAOYSA-N 431.569 4.569 30 10 IJEE O=C1Nc2ccccc2/C1=C1/SC(=Nc2cccnc2Cl)N(c2ccccc2)C1=O 1772733154 KQPSDODJZUKZOV-UDRSXHPJSA-N 432.892 4.866 30 10 IJEE C=CCN1C(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC1=Nc1cccc(C(=O)O)c1 1772737275 POCXQUFEHROPAI-VNRMLCEJSA-N 435.461 4.639 30 10 IJEE Cc1c(C(=O)Nc2sc3c(c2C#N)CCC3)c(=O)oc2ccc(Br)cc12 1859749056 AUXCNSDSVLDBSR-UHFFFAOYSA-N 429.295 4.538 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860936728 UEGLLATXFJIJFC-OAQYLSRUSA-N 444.595 4.992 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1C(=O)O 1862414993 NBVLRRRVXBROTP-HXUWFJFHSA-N 443.446 4.822 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(CC)cc1 1862444566 BAEBDXOFMSIXGV-NRFANRHFSA-N 427.928 4.907 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1F)c1cccc2ccccc12 1862650810 DYYXAWJHOMIMRT-GAJHUEQPSA-N 449.453 4.875 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2F)c1 1862703343 UTAVHSFGJRHJPY-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CCCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)cc1 1862921663 ZOSPQBPKOGYLTC-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2Br)=C(c2ccc(Cl)cc2)C1=O 1863179802 HECSCRYWOHDKNA-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N(Cc2ccco2)C1=O 1863744063 FZSRJHNLDHBQBH-UHFFFAOYSA-N 440.540 4.527 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccco1 1864458672 TYCYAUYAVVZTBL-FQEVSTJZSA-N 428.577 4.612 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)COc2ccc(Br)cc2)c1 1866134842 INBLIXGIPQCREN-UHFFFAOYSA-N 449.304 4.878 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(F)c(F)c2)cc1 1870148443 NGBRRIRRDIVODG-UHFFFAOYSA-N 425.439 4.629 30 10 IJEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1870152587 ANNBBLHABZYUCQ-SDNWHVSQSA-N 439.450 4.509 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CN(C)C 1870650937 DMXVUIWLSXPLOQ-UHFFFAOYSA-N 448.007 4.941 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1870813894 JBVBMVURJBNTDO-UHFFFAOYSA-N 430.426 4.798 30 10 IJEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870827379 LPLYXDSXZUCYNO-UHFFFAOYSA-N 437.927 4.837 30 10 IJEE C#CCOc1cn(CCCOCCCC)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871005809 ZYAYQYCTAURILY-UHFFFAOYSA-N 437.367 4.986 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871366744 PQAFIZDMJZUONC-QRVIBDJDSA-N 434.419 4.825 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871366862 QKKYBEFVIOTSGP-OYKKKHCWSA-N 430.456 4.994 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O)C(=O)O 1871422789 DBLXOIUBCJZKQJ-IAFWPLRWSA-N 426.465 4.651 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871977472 BFQUHKZCTQDSBC-NRFANRHFSA-N 432.561 4.735 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CC 1872294722 OKSWKBPSOCWMIV-HSZRJFAPSA-N 449.661 4.648 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2ccc(OC(C)C)cc2)C1=O 1873378398 NYRVEZYJNFQZIE-UHFFFAOYSA-N 434.536 4.947 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CC(C)C)ccc1OCc1cccc(Cl)c1 1873502771 UZOFDFSTMOWHJO-FSJBWODESA-N 430.961 4.889 30 10 IJEE Cc1ccccc1CSc1nnc(C(C)C)n1/N=C/c1cn(CC(=O)O)c2ccccc12 1873505249 HCDKWMUZJUBJSI-BRJLIKDPSA-N 447.564 4.924 30 10 IJEE CCc1sc(C2=C(N)N(c3cccc(C)c3C)CC2=O)nc1-c1ccc(OC)c(OC)c1 1873530026 WTYUCXHIWHKRIT-UHFFFAOYSA-N 449.576 4.723 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1ccc(C(C)(C)C)cc1 1873710763 SVKWIJHVAZJQRD-UHFFFAOYSA-N 433.577 4.987 30 10 IJEE CCCOc1c(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SC)cccc1OC 1874262679 LGDLPHPEKNQJHO-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874305545 CTRYHXHDHNHWIG-PCLIKHOPSA-N 435.597 4.688 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2cccnc2)cc1 1874306291 PMDGQDNIKBAPEE-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc(OC)c1O 1874324224 GAKBXDNXPAYQOF-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE Cc1ccccc1CSc1nnc(COc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874382774 ICEORAYJENWYPU-AFUMVMLFSA-N 446.532 4.751 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1cccc(Br)c1 1874398564 AXZFPJOUMYRPEW-QQHUYRGFSA-N 445.386 4.549 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccnc2)c1C 1874426230 XOHCZKLPERUQJY-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)ccc1O 1874447495 DDTWOFIPAGSVQK-LSCMLXDISA-N 438.553 4.717 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)N(CCC)CCC)nnc1C(C)C 1874514833 JCPHFQZESVVCNL-LFVJCYFKSA-N 445.633 4.813 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1 1874540359 LJTPTBYZYIGBRY-WSDLNYQXSA-N 437.352 4.906 30 10 IJEE C=C(C)COc1c(OCC)cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 1874621987 GHXFFPVJFBGDDH-FNORWQNLSA-N 425.437 4.616 30 10 IJEE Cc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])c1 1875150807 FORFZYYVXMDFMN-VMPITWQZSA-N 431.400 4.747 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)[C@H]1CCCO1 1875186198 IXNLNOBOTGNYGU-VHTFYLNKSA-N 430.884 4.728 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCN(CC)CC1)n2CCCC 1875212934 RMCOEVNQTNQKQS-UHFFFAOYSA-N 442.652 4.782 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3c(Cl)ccc4cc(Cl)cnc34)C2)c1 1890552219 SLNYBBSTDSHXJV-HNNXBMFYSA-N 441.318 4.739 30 10 IJEE CC(C)(SCCCC#N)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892321006 WIYQYCVSPOWOSJ-NRFANRHFSA-N 438.549 4.794 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1918267900 RHQXOPOCDWOJIK-WOJBJXKFSA-N 447.498 4.859 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983939731 BMYOKZUGGDXEPI-QZTJIDSGSA-N 427.463 4.907 30 10 IJEE CCC1CCC(C#N)(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1984691721 DPNIFPAULFDVJD-BDNFLSAOSA-N 445.563 4.892 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1ccc(Br)cc1Br 1992858049 OPSVRCLWGLSQEE-GJZGRUSLSA-N 449.183 4.584 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCCC1 1994205677 FCBKXHDNPYZXML-CLJLJLNGSA-N 444.575 4.858 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2020330392 VUWRDCFFJFQPID-OALUTQOASA-N 437.625 4.521 30 10 IJEE CC1(C)OB(c2ccccc2CNC(=O)c2cscc2OCc2ccccc2)OC1(C)C 2100090902 DQHGZVFUIIOLJG-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC(C)(C)OC(=O)NCc1csc(C(=O)Nc2ccc(C#N)c(Br)c2)c1 2124698880 HWCLYNKTQCCFSW-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cccc(OC)c1Br 2142388776 NMSUGYLHOHPBDS-CRAIPNDOSA-N 427.383 4.968 30 10 IJEE C[C@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 2174811031 SWMAWQRETTUIFM-UONOGXRCSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCN2c2cc(Br)c(C#N)cc2F)C1 2174812443 KZRRECYWBVDELM-LDTOLXSISA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181138914 HJKSXTOINNUVOP-QGZVFWFLSA-N 436.350 4.829 30 10 IJEE C=CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CNCC)c1Cl 2185655825 QWGORTGVYUOUDU-UHFFFAOYSA-N 427.397 4.870 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(Nc2cc(Br)c(C#N)cc2F)C[C@H]2CC[C@H]1C2 2188305826 YMKUKGZGYXTYJG-TVSHIAKJSA-N 438.341 4.955 30 10 IJEE CCCN[C@H](C#CC(C)(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2218399360 DSYCSULQRQWDFS-HSZRJFAPSA-N 441.660 4.964 30 10 IJEE Cc1cnc(Oc2ccc(NC(=O)OC(C)(C)C)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2224122386 WHVICEFHKDWQLI-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2235748294 YDFUGMVNACZKNB-UHOSZYNNSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](F)[C@H](C)CNC(=O)OC(C)(C)C 2235749186 HTHNWZIGOIYWLJ-LZQZEXGQSA-N 441.385 4.668 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](CC#N)C1 2243927207 RVPXDMWDGFQFLF-UQBPGWFLSA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248396398 YRDYKDIWJPJLNE-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE CN(Cc1ccccc1)C1(CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CCCCC1 2266757702 HOUFFAKDKVETLY-UHFFFAOYSA-N 435.421 4.628 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2F)OC1(C)C 2266978415 RMPCJTUKHJOXKD-UHFFFAOYSA-N 431.316 4.972 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@@]34CCC[C@@H]3CCN4Cc3ccccc3)CCC2)OC1(C)C 2267506365 WVAKHTHCPCMZLB-RLWLMLJZSA-N 438.421 4.564 30 10 IJEE N#C[C@H](C(=O)c1c(F)cccc1I)c1ccccc1Br 2282785511 VDSSJEFVYPIJPZ-JTQLQIEISA-N 444.041 4.683 30 10 IJEE C#CCn1cc(C=C2SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c2ccccc21 2293152776 PHTHVNZZOLLDPV-UHFFFAOYSA-N 443.528 4.566 30 10 IJEE C#CCOc1ccc2ccccc2c1C=C1SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 2293976740 KQWNVZICPYUMHA-UHFFFAOYSA-N 444.468 4.997 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C 2296219391 NSOAXIGWEUEPFR-IRXDYDNUSA-N 445.348 4.669 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2 2296222611 UDPRVJTYJOMTKD-OSFYOIPJSA-N 433.390 4.616 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(N)C#Cc2ccc(Br)cc2)C1 2296227273 NILTULXJBYYSIT-FCHUYYIVSA-N 433.390 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](N)(C#Cc2cccc(Br)c2)C12CCCC2 2296272073 HUDXVRQRPWHJCV-NRFANRHFSA-N 433.390 4.842 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(N)C#Cc1cccc(Br)c1 2296276694 KTTKZZBFXSLYQG-BMUJQCINSA-N 433.390 4.602 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ccccc1I 2296278617 GGEHWLIGTJRBFF-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1coc(CNC(=O)OC(C)(C)C)c1 2296289870 WOZVFSJIQCSZMV-IBGZPJMESA-N 433.346 4.769 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2297745379 ABQSDRXJEHYBAK-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE CC(C)(C)OC(=O)NCCCCCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317346012 AZZWRGCMKWRNSL-BUHFOSPRSA-N 432.370 4.800 30 10 IJEE CCOC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2321836199 CBSBJXFDVKBAHY-HNNXBMFYSA-N 435.476 4.616 30 10 IJEE O=S(=O)(NN=Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 2323369737 MMXMNULVBPERRF-UHFFFAOYSA-N 435.332 4.885 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323882348 QZHQXWVNVNQLHJ-UHFFFAOYSA-N 432.403 4.977 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(OCC)ccc2OCC)cc1Cl 2324388908 HUAPVMOPCDEDLY-UHFFFAOYSA-N 445.943 4.939 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2325572033 BMYHJYQIEGASIX-UHFFFAOYSA-N 432.908 4.896 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(F)c(F)c1 2325675178 LOKYHZAXEDOINM-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COCCOCC(=O)Oc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC 2325765236 NLFZTVURYCQQJC-UHFFFAOYSA-N 440.536 4.766 30 10 IJEE CCOc1cc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)ccc1OC 2326567661 ORUBLWPQQYWPQO-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE Cc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2326698058 SGKZWAMYBYBKJO-UHFFFAOYSA-N 438.296 4.682 30 10 IJEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccccn2)cc1 2328719965 PZYCQKYZYRAMKL-UHFFFAOYSA-N 447.539 4.998 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1N=Cc1ccc(Cl)cc1Cl 2331353917 MRFNXYLDIYBQHI-UHFFFAOYSA-N 429.373 4.855 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1OC 2331396906 MEHTVHLHBWTCAL-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1Cl 2331823518 PRHPUTPBEGMVAO-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCC3)cc2)cc1 2332187440 OCECHAJFMSZLOJ-UHFFFAOYSA-N 426.524 4.514 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)n1 2337021193 AEYJGJVEOHKUOM-GMAHTHKFSA-N 436.405 4.509 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CCC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2342471635 SBXSQVYFKIDVBN-SFHVURJKSA-N 444.381 4.661 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@]4(C)C3)nc2)OC1(C)C 2365107273 SSKBSNGRANZBEK-CMJOBOIDSA-N 445.416 4.685 30 10 IJEE C#CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 9250680 ZVILXSWJBHSICQ-NRFANRHFSA-N 446.557 4.577 30 10 IJEE Nn1c(N/N=C/c2cccc(Cl)c2)nnc1SCc1ccc(Cl)c(Cl)c1 21321671 YFFIESMCFFLXHQ-ODCIPOBUSA-N 427.748 4.690 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OC(=O)C(C)(C)C)c2C)C1=O 41250025 VHVLEFIROVGZAF-JAIQZWGSSA-N 426.465 4.589 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OC(=O)c3ccccc3)c2C)C1=O 41250989 HRNSUSCHWMVCJI-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OC(=O)Cc4ccccc4)ccc3C1=O)cn2C 41355976 NOKKYXFKDJWMKZ-MXAYSNPKSA-N 439.467 4.951 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(OC)c2)nnc1-c1cccc(OC)c1 59807899 BJVWALCETUWQNF-UHFFFAOYSA-N 444.944 4.533 30 10 IJEE COCCc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)n1Cc1cccc(C#N)c1 96528151 HILJFEWVHIHWIZ-UHFFFAOYSA-N 429.545 4.851 30 10 IJEE CCOC(=O)/C(=C/Nc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 101362724 GJZYHYACPXPQHZ-UKTHLTGXSA-N 427.215 4.783 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170009926 LUFJMHAEWSMFEX-OAQYLSRUSA-N 446.846 4.970 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2CCN(CC)CC2)C1=O 170017653 GARVEUIOGQKUIM-UHFFFAOYSA-N 431.646 4.606 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccc(C)o1 170103307 LASTYZFXVKWXQE-NRFANRHFSA-N 443.459 4.564 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(O)cc1)c1cc2ccccc2o1 170132360 RSOAKMSEXSOKKM-QFIPXVFZSA-N 427.412 4.627 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccs2)cc1 170159474 YSXQDMSEXYZMCB-OAQYLSRUSA-N 433.485 4.611 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C)c(Cl)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 170166923 BIJGNHFCVSYOSG-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)cc1 170191194 WBMAYTTYCBDZPB-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccnc1 170192794 XDXXBYHXHGIYLF-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccncc1)c1c[nH]c2ccccc12 170203593 VEEACCAHTHBMTM-NRFANRHFSA-N 429.863 4.999 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccncc2)c1 170204712 PMDIXZWIYLUSAJ-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2F)cc1 170249388 FJVRZNZXRNMTAX-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cn(C)c2ccccc12 170268918 IKUQSJMULIEXFG-XMMPIXPASA-N 440.499 4.556 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1sccc1C 170316527 MNVHRFGWOFBBAC-FQEVSTJZSA-N 448.544 4.855 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460950436 PWUUWLRIAFBXTI-XMMPIXPASA-N 426.520 4.958 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)nnc1-c1ccc(Cl)cc1 470618628 KZSCEFZBLWYSHO-WFASDCNBSA-N 444.910 4.676 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1c(F)cccc1F 489659382 FGUCTKJDEDTETA-HNNXBMFYSA-N 444.507 4.749 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@@H](c3cccc(F)c3)C3CCCC3)n2)c1 501376270 FJSYJYBSFVYZTK-OAQYLSRUSA-N 448.523 4.807 30 10 IJEE C=CCN(C(=O)CSc1cccc(C(F)(F)F)c1)c1nc(C(=O)OCC)cs1 501953742 RZCSEYUEWNZWRL-UHFFFAOYSA-N 430.473 4.650 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[S@](=O)C(CC)(CC)C1 508952894 ROVSJPXKWDQTCH-MHZLTWQESA-N 427.401 4.565 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 509014125 WTKOVCBNSUESRX-PMERELPUSA-N 434.487 4.524 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 523047324 BBOCFLYXRRBMCT-JKSUJKDBSA-N 429.973 4.762 30 10 IJEE COc1cc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526605609 CZNBZBXECHZSRJ-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE CC(=O)Oc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606917 KREVFEWZXVTESH-HSZRJFAPSA-N 428.419 4.680 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 538650990 QVVZGEWUYMCIMM-IRLDBZIGSA-N 435.572 4.534 30 10 IJEE COc1ccc2cc(-c3noc(-c4ccc(S(=O)(=O)CCCC#N)cc4)n3)ccc2c1 545564521 HBSICTYWXBDACP-UHFFFAOYSA-N 433.489 4.643 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccccc1F 551388239 CTXVDCVAYWVVHG-OAHLLOKOSA-N 448.527 4.780 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 558995967 UYLLXARMBARTEA-UHFFFAOYSA-N 435.478 4.719 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 567206937 XGSGEKXLCNLBHF-QFIPXVFZSA-N 439.567 4.985 30 10 IJEE Cc1c(Br)ccc(C(=O)N[C@H](C#N)c2ccccc2Br)c1F 619114302 IGBCDPVKZUTZSJ-CQSZACIVSA-N 426.083 4.654 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669807702 FUCWSIJEEBEHFK-GCJKJVERSA-N 427.508 4.666 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 669815818 BIDACPPIXGWKJB-YFNKSVMNSA-N 430.552 4.744 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC2(CC1)OCc1ccccc12 670221839 VFEKUFCRFDQVFN-QHCPKHFHSA-N 428.536 4.556 30 10 IJEE CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735230466 CDUZFGCOBZUEBP-QFIPXVFZSA-N 429.879 4.519 30 10 IJEE C#CCN(CC)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C 746457625 NLOKKJOZSNJREW-KHPPLWFESA-N 430.577 4.686 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(Cl)nc2ccccc12 782265856 ZJGKMUKBOJAAHS-UHFFFAOYSA-N 428.005 4.986 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 788433849 VXHHCNQSIMLVJD-CQSZACIVSA-N 435.874 4.576 30 10 IJEE Cc1c(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccsc2)oc2ccccc12 790736438 RMJNGJIVSSQISX-IBGZPJMESA-N 439.562 4.603 30 10 IJEE COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc3nc(O)oc3c2)cc1 794717131 YZODWXCVLQZDCG-ACCUITESSA-N 429.428 4.795 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H]2C[C@H]2c2ccc3ccccc3c2)C1=O 797798231 UQXRSYVPPXNSMY-BWAGFHJFSA-N 447.535 4.603 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)c1ccc(Cl)cc1 810469748 AMGVGDRNWKWBGR-MRXNPFEDSA-N 425.941 4.676 30 10 IJEE COc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)cc1 1084636178 ZLSOJIGIXZXLCO-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1116953777 OBYKQNGSRLEIFN-UHFFFAOYSA-N 449.986 4.882 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2Cc3ccc(Cl)cc32)c(C(=O)OCC)c1C 1124821493 SCKKLRPOGYWIEM-HNNXBMFYSA-N 433.913 4.508 30 10 IJEE C#CCO[C@H](C)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2Cl)c1C(=O)OC 1124955532 IICVJHNZCRCXRO-SNVBAGLBSA-N 426.321 4.794 30 10 IJEE CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1126022752 IBHNIUAYVJEXGA-RHSMWYFYSA-N 427.957 4.554 30 10 IJEE O=C(N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@H](F)c1ccc(C(F)(F)F)cc1 1126720160 CHYWYJPEIXMZLY-RHSMWYFYSA-N 448.338 4.657 30 10 IJEE CCCOc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(OC(C)C)c1 1128545947 CYWMLWOQCROKJQ-UHFFFAOYSA-N 441.959 4.750 30 10 IJEE C=CCCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1 1132945796 CITFSZUUIKEVMR-NRFANRHFSA-N 446.638 4.679 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC[C@H](CC(=O)OCC)c3ccccc32)cc1OC 1134560526 VARGMKCRCKCKQI-DDNJPHGJSA-N 435.520 4.747 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)n[nH]2)c1C 1136729621 JIWSHNQWTXKIBE-UHFFFAOYSA-N 438.491 4.992 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(C)c1)Cc1ccccn1 1143839118 WDGMAAVAMYHKDP-OAQYLSRUSA-N 443.975 4.955 30 10 IJEE C=CC1(CC(=O)Nc2c(O)cc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 1157128009 PIVSBVMUIRXCDI-UHFFFAOYSA-N 445.741 4.560 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1158530675 LRHLBRXNPRKWCC-NSHDSACASA-N 427.364 4.552 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(OC)c(OC)cc2s1 1160458451 MYXWFEKUJIFXFR-ZDUSSCGKSA-N 435.546 4.502 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(Br)cc1F 1160809035 VHVDAGCEUDPLFO-ABAIWWIYSA-N 449.748 4.801 30 10 IJEE C#CCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1178955233 VKPYTAIHTRZXDG-NRFANRHFSA-N 430.614 4.564 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(Br)cc1 1197311952 FDLWKJZTDVRHRE-QGZVFWFLSA-N 446.732 4.725 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)c1ccc(Br)cc1 1208516800 LKNTWYAZSSPIDY-DLBZAZTESA-N 436.231 4.598 30 10 IJEE COc1cccc([C@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)c2ccccc2Cl)c1 1209802825 HVVFHGPBFKAIPZ-QFIPXVFZSA-N 426.925 4.597 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 1215508312 DOZYIOIHAPGLAP-UHFFFAOYSA-N 435.430 4.551 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2cccc(F)c2)C[C@H]1C 1219084481 NPWJOKZSJUKFNO-OAHLLOKOSA-N 448.336 4.896 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2ccc(Oc3ccccc3CC)cc2Cl)C1 1255362708 GUYYNOKJCYGAFU-NRFANRHFSA-N 439.987 4.934 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccccc2Oc2ccccc2)CCCN1C(=O)OC(C)(C)C 1264833634 WNASGZKDASTBBP-AREMUKBSSA-N 434.536 4.888 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](CC)C2)c1 1265926518 XYBBPBGZJUXKAI-KRWDZBQOSA-N 432.973 4.593 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1286315301 WFGPPDYQUDLISP-AABGKKOBSA-N 431.625 4.725 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1286316030 FULCXOCFJLMEGJ-UHFFFAOYSA-N 429.524 4.570 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(CC#N)CC1 1286339278 LHKKHRODQKVMIO-UHFFFAOYSA-N 446.780 4.904 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(N(CC)CC)CC1 1286358376 WJMZKIXUKGQXHX-UHFFFAOYSA-N 446.064 4.948 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnc1C(C)(C)C 1286567470 QNNKRLGNCSJFFR-GHTZIAJQSA-N 439.560 4.634 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286590143 SORRTOBGXDEUDK-UHFFFAOYSA-N 446.983 4.714 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccc(CC)s2)CC1 1286636630 FIYCDZATMPSFLG-UHFFFAOYSA-N 435.597 4.976 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1286649408 TXMRAWSFQRFQAJ-DHLKQENFSA-N 438.616 4.680 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(F)ccc2F)CC1 1286654758 JWGJROIQNGOFSJ-UHFFFAOYSA-N 448.315 4.765 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 1286679271 MWORYPMXPIXZLN-POGFHVCPSA-N 438.616 4.611 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccoc1)c1ccccc1 1286680790 FIJDZWNRLFXICJ-HSZRJFAPSA-N 430.556 4.729 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1=CCCCC1 1300303319 JIEFNCBMVWPVGS-TZIWHRDSSA-N 441.620 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H](C)C#N 1300870976 WQYWAHMZJPZWNF-FBAVSBLXSA-N 439.629 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)C[C@H]1CC=CCC1 1300891238 XWYNWDPGNHVSGT-XTJBDQBJSA-N 436.600 4.651 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1300956094 NZNXYSJBQYMNBG-HXUWFJFHSA-N 438.597 4.701 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](OCC)C1 1300974921 PPTMCSASWRKCRF-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1301106973 ZEUDFRHRSIOZSX-HEKZAOSPSA-N 438.616 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1301145715 FFPKMUIOZBMJAS-UHFFFAOYSA-N 449.574 4.656 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1301183481 YNUJSJBMIASVBG-UHFFFAOYSA-N 448.527 4.652 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1301232162 VSXGLIZOEYXUOZ-UHFFFAOYSA-N 438.551 4.563 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1301330733 UKQUAIGDCNBEKW-UHFFFAOYSA-N 437.466 4.686 30 10 IJEE C=CC[C@H]1CCN1C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 1304672655 WJESEYKRCZBVKY-FQEVSTJZSA-N 448.592 4.732 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)C1 1304958631 BGBPKBSRZFQYFY-OPYAIIAOSA-N 434.613 4.806 30 10 IJEE CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@](C)(C#N)C1)Oc1cccc(F)c1 1305814191 DBDQIXASKNBIPS-NTKDMRAZSA-N 437.519 4.973 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1ccc(Br)cc1F 1308259883 MRKUMQQUFMWMOS-UHFFFAOYSA-N 441.138 4.695 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 1313239597 LHFYAOLQGHCKGZ-OAQYLSRUSA-N 445.604 4.991 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)cn1 1313513385 FDTIOJHKPMGTNE-MOPGFXCFSA-N 430.556 4.674 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(OC)c(F)c1)c1ccc2c(c1)OCO2 1347909876 OWUXFPKCKUAQFQ-UHFFFAOYSA-N 435.451 4.975 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C(F)(F)c1nccs1)c1ccc2c(c1)OCO2 1348807946 URAAJIMOAXMQTP-UHFFFAOYSA-N 444.459 4.762 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)s1 1353550230 GRZUWWSQNNZSSB-UHFFFAOYSA-N 444.409 4.833 30 10 IJEE C=CCCn1cc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)nn1 1354985471 SJXYRCMKDVUZCI-UHFFFAOYSA-N 433.512 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C)c(C)s1 1358871675 IXQNEBJDJROPOA-ZFWWWQNUSA-N 429.977 4.651 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](c2ccnn2C)C1 1358924163 NZZDMLLFTAJLOB-MRXNPFEDSA-N 443.382 4.783 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@H]1C(C)C 1358940132 OOLRKBXMMKJOSC-PMACEKPBSA-N 435.597 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1359004809 KOWLLPNYIVKAPT-NRFANRHFSA-N 444.645 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CCc1cc(Br)ccc1F 1359069567 PFZFXELKGAFDTC-OAQYLSRUSA-N 431.353 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1359071788 CUIMBFSVJUAKRY-ZFWHIUCFSA-N 433.644 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1359103956 VZWIPSVXTGEWAW-YTAKYCMFSA-N 438.616 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(OCc2ccccn2)cc1 1359110174 CLQGTWCHOOQMHI-UHFFFAOYSA-N 440.551 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1359114353 ITIUTKVYCFGFAQ-FQEVSTJZSA-N 441.620 4.835 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359117683 OQXWZEYOHFIRFT-GRDNDAEWSA-N 444.885 4.804 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](C)C1 1359144338 FQXNERLPTIQGJZ-OLZOCXBDSA-N 439.785 4.951 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccccc2OC)CC1 1359189306 GQIRNAIIFUPENJ-UHFFFAOYSA-N 439.648 4.800 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)CCCO1 1359197323 LDMRJSKELCMGOU-ZJSXRUAMSA-N 426.561 4.542 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NC)C1 1359199940 MVMACMJLPWOGHD-HNNXBMFYSA-N 436.387 4.571 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Br)cc1 1359218858 XHEBFZRLTWUDDR-UHFFFAOYSA-N 446.418 4.999 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)cc1OCC1CC1 1359245375 MTCTWKJKDLIUCC-FYYLOGMGSA-N 438.616 4.964 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CSCCS1 1359262520 WIBOTDZRPJCNQQ-QGZVFWFLSA-N 432.640 4.949 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC1 1359263385 AGOTZRQKWPWTAC-UHFFFAOYSA-N 442.032 4.872 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCCC[C@@H](SC)C2)cc1 1359307302 HDDCWTJNKQEAJB-FGZHOGPDSA-N 442.629 4.855 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1359310713 DNRWTHIBKZTPMA-IBGZPJMESA-N 437.613 4.857 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CCc2sc(C)nc2C)c1 1361144267 FYRZLPTUSIJWDO-QGZVFWFLSA-N 438.601 4.528 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1OC 1361160942 RFWJIZNZWMNCQK-IHOQCVISSA-N 446.591 4.788 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(Cl)c(Br)cc2F)cc(OC)c1OC 1434919654 LMAWNDTZSLIOGK-UHFFFAOYSA-N 442.712 4.917 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1435136563 MANRJGJWHQUTKJ-PGRDOPGGSA-N 442.918 4.818 30 10 IJEE C#C[C@H](NC(=O)c1sc(-c2c(C)noc2C)nc1C)c1ccc(Br)cc1 1436651676 RXUKCOQITYZGLN-HNNXBMFYSA-N 430.327 4.590 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cccc(C)c2)c1CC 1448840024 RLFASQPFNDHVSO-KRWDZBQOSA-N 432.952 4.718 30 10 IJEE C=CC1(CC(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1451589800 WRGHMNNYAIECSO-UHFFFAOYSA-N 427.467 4.523 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2cccc(C(=O)Nc3ccc(C)cc3)c2)c(OC)c1 1455942164 HFZYGAZZLACVFS-UHFFFAOYSA-N 431.488 4.969 30 10 IJEE C#CCN(C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C)c1nccs1 1457336722 XYFXSUMSCQIVIA-UHFFFAOYSA-N 433.917 4.838 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1C(=O)OC(C)(C)C 1460201333 AQNASIVEMJZHLE-CYFREDJKSA-N 443.544 4.647 30 10 IJEE C#C[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)C(C)(C)C 1460799669 CTYGAVUPTXVFBR-GOSISDBHSA-N 426.442 4.731 30 10 IJEE C=CCn1c(SCC(=O)N=[S@@](C)(=O)C(C)C)nnc1-c1ccc(Cl)cc1Cl 1462922569 USLXKJOBZZSABE-MHZLTWQESA-N 447.413 4.563 30 10 IJEE C#CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H]1CCCc2ccccc21 1463005144 BOMSYASXDGBVAO-OAQYLSRUSA-N 432.545 4.980 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)cc1 1463284126 HLHKQJXLAMCZKU-CYBMUJFWSA-N 447.379 4.593 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)c1 1465380990 CODPOAXGHJRGOA-GOSISDBHSA-N 438.402 4.576 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1466207479 NMAKMCOAGZHJSA-UXHICEINSA-N 441.572 4.590 30 10 IJEE C#CC[C@@H](NC(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccccc1 1469449227 JTJXYQNZRLZAGJ-CJFMBICVSA-N 427.589 4.724 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]([C@H]1CCOC1)C(F)(F)F 1472934914 QXJKKAORQHAVHJ-LRDDRELGSA-N 433.883 4.756 30 10 IJEE CCC1(CC)CN(S(=O)(=O)Cc2cccc(C#N)c2)c2ccc(Br)cc21 1475068019 DBOMIHAWWGVVQL-UHFFFAOYSA-N 433.371 4.729 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)c1ccccc1 1478257083 HACUEEBRHBBENV-ZRBLBEILSA-N 427.976 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCN1CC 1507518414 AVNNSFMFALOCPK-JKSUJKDBSA-N 428.005 4.755 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(F)(F)F)CC1 1507555122 HHKLMKFWROFCSX-UHFFFAOYSA-N 442.489 4.917 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCSCC1 1507557612 MPRRWSXQSYXNIU-UHFFFAOYSA-N 439.810 4.718 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 1507560635 KCTKLOZHURCNPE-LJQANCHMSA-N 431.378 4.722 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)OC(C)(C)C1 1507839949 WPVAGXOMTLHKDT-GOSISDBHSA-N 444.645 4.872 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1507876569 MLSPUKAGNXGVHJ-PMACEKPBSA-N 437.588 4.507 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1cccs1 1507941332 CZXMGICFHDKJNS-IBGZPJMESA-N 442.610 4.718 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CC(C)C)C1 1507958243 RRKYJAPTIVCDCH-INIZCTEOSA-N 436.398 4.501 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1507986089 ILGVTAQAAJQJOC-GOSISDBHSA-N 445.633 4.662 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CC)s1 1508024470 KNSHBSAXTRDWPJ-UHFFFAOYSA-N 432.597 4.586 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H]1CCSC1 1508152810 RLCWFNLJQXZGNM-KRWDZBQOSA-N 425.627 4.663 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)CCO1 1509974072 GWCZQXXQBJSSDR-AVRDEDQJSA-N 435.597 4.618 30 10 IJEE C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)c1nccs1 1510052816 HDMUGNHUWPJQQS-OAHLLOKOSA-N 426.977 4.522 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@H](C)Oc3cc(C)c(Br)cc32)c(OC)c1 1514814358 VMNIDUHLEDKHPC-HNNXBMFYSA-N 446.341 4.688 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 1518535373 LUOLPWIVCGGDDN-UHFFFAOYSA-N 427.463 4.901 30 10 IJEE C=CC(C)(C)CNC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 1521351604 JZPYJHSNCZNLHD-UHFFFAOYSA-N 426.582 4.748 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](c1cc(Br)cs1)C(F)(F)F 1521483115 IDSIOOMEWZOIEO-OTYXRUKQSA-N 434.233 4.996 30 10 IJEE C=CCCOCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1 1524022534 WHWOBYNZFTYIAS-NRFANRHFSA-N 434.552 4.709 30 10 IJEE N#Cc1ccc(OCC(=O)NCC2(c3ccccc3Br)CCCCC2)cc1 1526456722 FRRYKKXAIZRUPY-UHFFFAOYSA-N 427.342 4.718 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc(N4CCCC4=O)cc3)c2C#N)C1 1527276817 FTOIFWDMNISXFR-MRXNPFEDSA-N 437.565 4.525 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1527456556 XMSFXJMYSCIQKQ-JOCHJYFZSA-N 433.379 4.624 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(-c2ccc(F)cc2)c1 1527807560 YVNVOFZBIKDXTP-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3ccccn3c2C(=O)OC(C)(C)C)cc1OC 1528170470 DAVRPCSQHUSWBZ-QBFSEMIESA-N 449.507 4.515 30 10 IJEE C=CCCC1(CNC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CCCC1 1531944844 YNFRNOKIPQBVFT-INIZCTEOSA-N 442.419 4.502 30 10 IJEE N#Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1Br 1532296728 AUPDOBJYKNXLQC-GOSISDBHSA-N 448.729 4.542 30 10 IJEE C=CC[C@]1(C(=O)N2CCn3c(cc4c(Cl)cccc43)C2)CCCN1C(=O)OC(C)(C)C 1538526126 XOOMNHMBTXOFDV-XMMPIXPASA-N 443.975 4.983 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccn1 1538645570 BTFORVDQNFFKIU-VWLOTQADSA-N 441.531 4.571 30 10 IJEE C#Cc1ccc(NC(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 1538775618 YCGPGJMTMBFMJM-UHFFFAOYSA-N 430.854 4.839 30 10 IJEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1539139706 MVLGOBFHSWCDFE-UHFFFAOYSA-N 432.490 4.815 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1539336742 DYGYSWSHDBVWEN-QZTJIDSGSA-N 448.464 4.753 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@@H]3CCC[C@H]32)nnc1-c1ccc(Cl)cc1Cl 1539459007 ZTOKPXLHOARJDE-DXCKQFNASA-N 437.396 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1539839965 IECHERIVRPSHGF-OAQYLSRUSA-N 436.991 4.761 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1539946603 CPGOZXYSQZQIPW-QFIPXVFZSA-N 437.632 4.531 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1540122191 RKWDTKLXIPBJSW-RTWAWAEBSA-N 432.616 4.730 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1540911473 YIPGQCKBVSKABH-IRXDYDNUSA-N 433.419 4.862 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1540911575 VPKQBODTAWVJTL-GOSISDBHSA-N 443.642 4.710 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1CSC 1540911918 GUWIREDRERIREQ-SFHVURJKSA-N 425.627 4.744 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CC[C@H]2CCO[C@H](C)C2)cc1 1542467286 GTIFPKCCXIKBNZ-IRLDBZIGSA-N 437.588 4.501 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Sc4ncccn4)cc3C)n[nH]2)c1C 1544665455 KANBWQMJFRVOFZ-UHFFFAOYSA-N 445.552 4.578 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 1544803928 WJUKVXXFJVMPDC-UHFFFAOYSA-N 433.596 4.899 30 10 IJEE C=CC1(CC(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1556216866 HSIZLOIELKVJQR-UHFFFAOYSA-N 440.506 4.956 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3[C@H]3CCCOC3)c2C#N)C1 1559939950 FFZWHWULDGVXJZ-WAOWUJCRSA-N 443.657 4.990 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCCc2cn(C(C)C)nc21 1562929054 GCAVAIVGLQEVGM-INIZCTEOSA-N 433.350 4.990 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(F)cc2F)CCCC1 1567060687 ABFHYPMUYUVYFL-QGZVFWFLSA-N 428.907 4.886 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](n3c(CC)nc4ccccc43)C2)c(OC)c1 1567811555 KFFNXPCPWRULMF-HXUWFJFHSA-N 433.552 4.578 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@H]2CC(Br)=NN2c2ccc(C)cc2)c1 1584736519 PQCAXHHTRNHKPE-LJQANCHMSA-N 428.330 4.876 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)C1CC(C)(C)NC(C)(C)C1 1585373401 FXURYVVMLDPKBM-SFHVURJKSA-N 444.060 4.960 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 1585645221 FBBXVAJNJATCAD-QGZVFWFLSA-N 448.485 4.798 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1587229865 KTDHXGOOUSEOPR-AUSIDOKSSA-N 426.582 4.685 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCC(C)CC1 1587585404 ALXIJDWEYVGZLL-WOJBJXKFSA-N 439.673 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](OC)C(C)(C)C 1589149968 BOBFRBMSQDFNBJ-VWQFJMCTSA-N 428.552 4.610 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1589687948 UXUZXKNMPRBBHG-MCEYFSPLSA-N 438.616 4.818 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1593620533 DPJPIUQTXRRBSD-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)N2CCC(C)CC2)CC1 1594013053 BJHKSMYZBRHPFE-LEWJYISDSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCCOC)CC1 1594473076 MDFAAYWEPYSMAF-UHFFFAOYSA-N 449.599 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1594492217 VLZUKAOUGAGJPR-LJQANCHMSA-N 439.604 4.856 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1)c1ccccc1 1594545528 UGPVXDUREQUFDR-QFIPXVFZSA-N 449.643 4.818 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CC[C@@H]1CCCCO1 1595133829 NCAXYTYXUSVWOQ-RBBKRZOGSA-N 428.552 4.811 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1ccccc1F 1596849205 FZUBGQIXIKVEHS-YFVAEKQCSA-N 427.568 4.564 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(C)C)CC2)CC1 1612822249 FHLSMLZGNMTWMU-NRFANRHFSA-N 434.632 4.810 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1613137644 FVAJMGMATSHHNA-JPYJTQIMSA-N 437.588 4.526 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2ccc(F)cc2)s1 1616285521 OJYDJWDQYIZNET-CQSZACIVSA-N 425.913 4.924 30 10 IJEE CC(C)Cc1ccccc1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1616674961 GLXOLNWZDFADKB-QFIPXVFZSA-N 440.385 4.670 30 10 IJEE CCC(=O)N1CCc2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc21 1617629966 DWQJOHQMNBEUMG-UHFFFAOYSA-N 425.488 4.689 30 10 IJEE C=CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1 1622801095 IEHGLBZKZCFMCM-UHFFFAOYSA-N 449.548 4.735 30 10 IJEE C=CCC[C@@H](CO)NC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1622971310 VLGNPRLAECXMMB-SFHVURJKSA-N 435.446 4.715 30 10 IJEE COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 1623075294 GASQZINWKHAPJP-VOIUYBSRSA-N 447.491 4.611 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](C)CC[C@H]3c3ccccc3OC)n[nH]2)c1C 1623790687 MVOXYNHQFCZWIM-ZHRRBRCNSA-N 433.556 4.698 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)cc1 1624950537 XFFXJXZPVNGFJD-UHFFFAOYSA-N 425.529 4.940 30 10 IJEE C=CC[C@H](NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)c1ccncc1 1629340217 KBRBGMACRBMPLZ-QFIPXVFZSA-N 448.567 4.998 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 1632050600 YLVKZUJOOJKJJB-HZPDHXFCSA-N 426.916 4.580 30 10 IJEE C[C@H]1CC(=NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Br)cc23)NO1 1632205549 IBHPIKMFNCXHHZ-ZDUSSCGKSA-N 426.314 4.769 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3ccc(Oc4cccnc4)cc3)n[nH]2)c1C 1635993442 NOAYXWZMVYZHCN-INIZCTEOSA-N 442.523 4.754 30 10 IJEE C#CCN1CCC(C(=O)N[C@@H]2CCCc3c2cc(C)n3-c2cccc(C(F)(F)F)c2)CC1 1638240730 GAZZZHDZAGPPQW-JOCHJYFZSA-N 443.513 4.643 30 10 IJEE C#CCC1(O)CCN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)CC1 1643099820 WRZAZRZXKCDXKY-UHFFFAOYSA-N 431.227 4.510 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1643151194 WAMOKYXXARGNMI-VSKRKVRLSA-N 436.379 4.784 30 10 IJEE COC(=O)c1cccc(CSc2nc3sc(-c4ccccc4)cc3c(=O)n2C)c1C#N 1643502925 FXIJYYFDJYVJIK-UHFFFAOYSA-N 447.541 4.613 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)C1 1643559925 VHCUMWRUKUERRF-INIZCTEOSA-N 444.984 4.919 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](Cc2ccccc2)C2CC2)n(Cc2ccccc2)c1C 1645043650 ATPNIFUKEYDZKQ-RUZDIDTESA-N 426.564 4.574 30 10 IJEE COC[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(C(F)(F)F)c1 1645072103 GYNVLAJENCTMIV-GOSISDBHSA-N 425.838 4.536 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)[C@H]1CCc2ccccc21 1653214169 BBHQJZDXKUTGNH-VWLOTQADSA-N 440.522 4.666 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1cccc2c1OC(F)(F)O2 1656076548 MYFFXBOXOKLLTB-UHFFFAOYSA-N 435.427 4.796 30 10 IJEE CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1c(C#N)sc2ccccc12 1660361788 NJGGBBCDSFDRHO-UHFFFAOYSA-N 436.308 4.506 30 10 IJEE C=CCCc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)cc1 1660576387 ZTSSGGMVHIXUNZ-UHFFFAOYSA-N 437.517 4.834 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)NC1(c2noc(C3CCCCC3)n2)CCCCCC1 1668061138 GQGHGOPJPMQCIJ-UHFFFAOYSA-N 442.585 4.825 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)c1ccc(Cl)cc1F 1668084380 XJKRGAAIBHJKDG-KRWDZBQOSA-N 447.695 4.923 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F 1668688084 MGMKMOPDQRUTTF-UHFFFAOYSA-N 436.430 4.677 30 10 IJEE N#Cc1cc(NC(=O)NCc2nc(C3CC3)n[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1 1669508891 ATIISXVDEGWXNQ-UHFFFAOYSA-N 442.401 4.687 30 10 IJEE O=S(=O)(N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)c1ccc(C(F)(F)F)s1 1669931965 AJZFLYSNDPBKRJ-ZDUSSCGKSA-N 446.369 4.969 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1F 1674036065 KDTQNUYONWQFTF-FCHUYYIVSA-N 449.904 4.910 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1674519309 XVARKFGXOAEEQM-RUZDIDTESA-N 430.504 4.821 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F)c1ccccc1 1677513002 MEFQPGODVZIMHN-OAQYLSRUSA-N 426.442 4.682 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@@H]1CC1CCOCC1)c1ccc(C(F)(F)F)cc1 1680855819 QMRQTIGKCGXYJQ-SFTDATJTSA-N 440.506 4.940 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21)c1ccc(F)c(F)c1 1681552252 MVWGELSNPFUDCG-AVRDEDQJSA-N 428.479 4.788 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CCN2CCCC[C@H]2C)CC1)c1ccc(Br)cc1 1682357141 UDMTWGUCXUQJFV-XMSQKQJNSA-N 446.433 4.810 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 1683377406 DTDDVKJYMXALFP-DEOSSOPVSA-N 446.501 4.652 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(F)c(C)c2)C1 1685266439 ATCLSBQMFKPHEB-FQEVSTJZSA-N 443.950 4.819 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)C1 1686807929 OEGZXWYQSAXWPU-NRFANRHFSA-N 443.588 4.580 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](c1ccco1)N1CCCCC1 1689947561 HYGOHUHOBATYMI-PKTZIBPZSA-N 431.584 4.710 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1690054960 KNXBCAYKOYUQSA-AHWVRZQESA-N 448.636 4.547 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](COC)C1 1690352501 GNJGWPAKXTUYIQ-AWEZNQCLSA-N 445.778 4.779 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCC[C@H](C)C2)CC1 1690364857 YSHWPPPPMBHZBT-REWPJTCUSA-N 437.632 4.923 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CCCCCC2)CC1 1690369668 SVYDMPBMMFRXDR-UHFFFAOYSA-N 445.405 4.949 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(C)[C@H](C)CC)CC1 1690404411 CNXMVLPGMLPAMK-QGZVFWFLSA-N 432.012 4.740 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](OC)c2ccccc2)CC1 1690417044 BTYLEQZUMLRJNX-XPWALMASSA-N 438.616 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690422772 ZTGOGMCFLZTYIX-YJBOKZPZSA-N 433.478 4.575 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1690444843 MZKHAPLYNZXVQH-SFHVURJKSA-N 435.963 4.656 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCOC1 1690467881 LNOHNAWNLQNAKO-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CC1(O)CCCCC1 1690561576 VADQHBJJWHFGRH-UHFFFAOYSA-N 433.600 4.770 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCN(C)C1CCCCC1 1690578138 RDQUDSMBPAZKTI-HXUWFJFHSA-N 443.661 4.691 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690748768 HBBYKSGWWBOTPO-NRFANRHFSA-N 428.646 4.880 30 10 IJEE COCC1(CCn2c(C(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)CCC1 1697797196 GCKYAASVLWPJQS-UHFFFAOYSA-N 437.588 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCc1nccs1 1705484676 UCYRNZMJBLRPAJ-SFHVURJKSA-N 447.564 4.664 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]2CCC[C@H]21 1705656454 YBSLPGMTLUOBOK-QFBILLFUSA-N 431.005 4.742 30 10 IJEE C#CCSCCn1c(N2Cc3cc(Br)ccc3[C@H](C)C2)nnc1C(C)(C)C 1705665171 LXXJZSVQKVAZTO-OAHLLOKOSA-N 447.446 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CSCCS1 1705714842 JCEZLLADTXDAQM-QGZVFWFLSA-N 427.643 4.688 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1705784166 KHEGFMZIYANLKR-NFBKMPQASA-N 438.616 4.680 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCc2ccc(Cl)nc2C1)c1ccccc1 1705798445 SCLLBZBEJZMUJZ-HXUWFJFHSA-N 437.975 4.786 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(Cc2cccs2)CC1 1705822741 PLUBNVAUSFMPET-UHFFFAOYSA-N 437.613 4.515 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1705826009 KWYLUHKBSRAJOQ-XLIONFOSSA-N 445.405 4.988 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(C)nc1)C1CC1 1705850991 QFJMWANEUSVSNJ-UHFFFAOYSA-N 433.556 4.647 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1ccsc1 1705861372 DAXGWSWVWPLRRZ-RUZDIDTESA-N 445.592 4.810 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1Cc1ccc(C)cc1C 1705879508 BDNXIXRBCUZGAM-UHFFFAOYSA-N 427.552 4.757 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1722565955 GFCRFQLGGVODHB-PKOBYXMFSA-N 449.368 4.802 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(OC(C)C)nc2)CC1 1722568376 JTIYILLIXGKSAU-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1730568942 DOKNDRPNPLIPCI-QRQLOZEOSA-N 433.478 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(OC)C1CC1 1740534374 YJZZUPMOBAXJJG-XFAGBWLFSA-N 445.007 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc2c(n1)CCCC2 1740536132 ZPHNDEZLZIEWBR-MSOLQXFVSA-N 449.986 4.852 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccc(C)nc1 1740537848 HQRQNIJUMLBCJY-KRWDZBQOSA-N 428.565 4.587 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H]1CCO[C@H](C)C1 1740540811 MPYLPZUTWNNKGX-RCCFBDPRSA-N 445.405 4.679 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1sc(C)nc1C 1740599459 BBOVMDWNBGVKBR-INIZCTEOSA-N 444.004 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1OCCCC 1740647820 WCBITMISWCERPZ-UHFFFAOYSA-N 447.970 4.684 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1740711918 TUOLVOFCRZHPQV-INIZCTEOSA-N 434.556 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)CC(C)C 1740766900 LLLJZZMAQPEODL-GCJKJVERSA-N 430.618 4.652 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCc2cn[nH]c2)CC1 1740818597 ODKAWYDNLXCFHS-SFHVURJKSA-N 440.979 4.811 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCn2cc(Cl)cn2)CC1 1740825892 ZEAGDVNEOUSJGS-LJQANCHMSA-N 440.979 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(CC)c1 1740844102 VZDBCCKCYNWPKT-UHFFFAOYSA-N 449.603 4.602 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1740860287 YRUIUJBWAFBICD-FQEVSTJZSA-N 448.615 4.550 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1740866509 GJJFYXKKSWYKBS-PMACEKPBSA-N 442.629 4.941 30 10 IJEE C=CCCCCn1c(N2CCC([C@H]3CC3(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740867008 VDCIRRSMCGRURY-KNQAVFIVSA-N 438.563 4.547 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740869758 YRJIJUMSFDWWOG-AREMUKBSSA-N 438.616 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(C(=O)NCC)c1 1740893959 DEIYTLOGYTXGPE-UHFFFAOYSA-N 449.624 4.696 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@H](C)C1 1740914135 MMLDBYICLBHTQC-NFBKMPQASA-N 431.584 4.901 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCCC2)nc1 1740927626 KRQXPBWJWHGCBH-UHFFFAOYSA-N 428.584 4.729 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(SC)CCOCC1 1740928665 QBOYQLMLAQGHPY-UHFFFAOYSA-N 449.020 4.698 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[C@H](C)C1 1740970746 BVHCEPCTYZGOPP-ZWKOTPCHSA-N 437.613 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CC2CCN(Cc3cccs3)CC2)C1 1740972256 FURXVDGMAUPDHY-TZIWHRDSSA-N 443.661 4.547 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C/C=C/c2ccccc2)C1 1740986355 YUTZGRFTVDWVIA-IKOXCHMZSA-N 436.600 4.691 30 10 IJEE CC(C)(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1741201707 DLRKNCXKSORDNU-UHFFFAOYSA-N 431.588 4.756 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCS1 1743785279 ABJIGHQPGZVYED-WMQCIHAUSA-N 425.602 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OCCC)nc1 1748654967 OPAXPJCCYFHQKF-LJQANCHMSA-N 431.584 4.933 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C2CC2)C1 1749023481 SPEFDIKODJFWBE-AEFFLSMTSA-N 431.005 4.674 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](COc2ccccc2)C1 1749103828 FBHHCYFBXPVGDT-QGZVFWFLSA-N 433.394 4.681 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1749218373 MWXOUQFUJFLNEE-NRFANRHFSA-N 439.387 4.850 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749271866 DOBOIWKHUYCTTN-KRWDZBQOSA-N 445.995 4.705 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ncccc2C)CC1 1749294166 QHRGQSJONDTBDB-UHFFFAOYSA-N 433.556 4.649 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(Br)cs1 1749367351 SNWYECQFYFNGKD-CQSZACIVSA-N 439.423 4.845 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)C[C@@H](C)C1)c1ccccc1 1749383550 ZTKQHSJQDNLBIB-KCZVDYSFSA-N 444.583 4.768 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749393530 YWAHRKIWWUJWRJ-IBGZPJMESA-N 425.968 4.696 30 10 IJEE C=CCCOCCn1c(N2CCC[C@@H](C(F)F)C2)nnc1C1(c2ccccc2)CCC1 1749461011 LZGSDRUYZPUTTO-LJQANCHMSA-N 430.543 4.822 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCSC1(C)C 1749486949 KXXAHDRVMQEWTO-ROUUACIJSA-N 449.665 4.547 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(C)ccc21)C(C)C 1749557450 JJVIXOMNMOPTQE-XMMPIXPASA-N 430.600 4.974 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1 1749574460 VTLHXYVLAKDHJC-OAQYLSRUSA-N 437.588 4.619 30 10 IJEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)c1nccs1 1750221796 FYABCFPBHJEVGS-HNNXBMFYSA-N 426.615 4.655 30 10 IJEE CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1750694016 CKVGTFWDFKVBJV-MBSDFSHPSA-N 447.002 4.844 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(COc2ccc(Br)cc2)n1C1CC1 1750793218 HDBZJXGZYUSZBG-UHFFFAOYSA-N 432.366 4.721 30 10 IJEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H](C)c1cccs1 1760274023 GWZKCYRGZNOULK-INIZCTEOSA-N 442.610 4.588 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1760282501 GICPDCCABNKDAE-UHFFFAOYSA-N 441.815 4.788 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1760367235 FWAOBFLPHQSVTA-UHFFFAOYSA-N 448.905 4.849 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOCC(F)(F)C(F)F)CC1 1760397964 IBYCVEDRCASHBJ-UHFFFAOYSA-N 446.876 4.918 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC1COC(C)(C)OC1 1760410852 TVFCDXLXWFGCLK-UHFFFAOYSA-N 437.588 4.864 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)Cc1cc(Br)cs1 1760441443 IIVDABQDCWZESV-UHFFFAOYSA-N 432.391 4.691 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1c(C)noc1C)C1CC1 1760475319 CBLKXMKSZUNINF-NYSBEXSLSA-N 427.593 4.760 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1CCOC1 1760485568 IVUUNSCSYNLOQF-INIZCTEOSA-N 429.977 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC(F)(F)CO1 1760485680 NCDOKPCGRMCGIB-INIZCTEOSA-N 446.523 4.632 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCC=C(Br)C1)C(C)C 1760489051 BKZAZZKWRQWDBT-HXUWFJFHSA-N 448.453 4.733 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CCN(C)C(=O)OC(C)(C)C 1760491004 PWGHPWULGBQYBP-UHFFFAOYSA-N 437.544 4.737 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC2(CCCCC2)O1 1760505202 NZUZNSPVWYSJPF-OAQYLSRUSA-N 442.579 4.529 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2[C@@H]2C[C@H]2CCC)C1 1760537193 KYNGXICAXYHBPB-IDHHARJASA-N 449.368 4.989 30 10 IJEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)c2cccs2)c1 1769898518 DJQSJKHOLICJTI-INIZCTEOSA-N 439.585 4.597 30 10 IJEE CC(C)C[C@@H](C(=O)N(C1CCCC1)[C@@H](C#N)c1ccccc1)N1C(=O)c2ccccc2C1=O 1858008953 NHBNVDKVUPSMTO-ZEQRLZLVSA-N 443.547 4.733 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 1858812227 OLDGZASHBJACAW-UHFFFAOYSA-N 435.311 4.612 30 10 IJEE CCc1cccc(CC)c1NC(=O)COc1ccc(NC(=O)c2cccc(C#N)c2)cc1 1860159956 SNOIMHBPMGGWSW-UHFFFAOYSA-N 427.504 4.953 30 10 IJEE C/C(=N\O)c1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 1860472497 QZRLDFYZDBOGDY-CTWDJJQWSA-N 445.781 4.871 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860941914 VSMAAQDQGSTSIS-FQEVSTJZSA-N 432.996 4.819 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862432736 LUZYKFQHULIBNJ-NRFANRHFSA-N 438.911 4.826 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc2c(c1)OCCO2)c1cccc(Cl)c1 1862449367 KBJQUCTYTBFDSY-OAQYLSRUSA-N 439.895 4.632 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862501822 LJIBIOSJJOOSNV-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(C)c1 1862507268 HWHSUQHGRWNPJQ-HSZRJFAPSA-N 438.543 4.753 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OCC)c(OC)c1 1862509344 FVRVAEXTRPUVNK-JOCHJYFZSA-N 441.499 4.920 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1[C@H]1CCCC[C@H]1C 1862604629 GLNABBZIQYAGIX-VWQFJMCTSA-N 447.531 4.923 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1F 1862642359 CSVRMUQUTSFDRH-SFHVURJKSA-N 437.389 4.840 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862643213 MTXWUSSJEZAJPB-NYHFZMIOSA-N 441.499 5.000 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCN(C)C)cc1 1862721057 AUVLRUDPIUVFSO-VWLOTQADSA-N 440.543 4.802 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862747919 RIWABCMXWBZJCI-OAQYLSRUSA-N 432.407 4.512 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(C2CCCC2)C1=O 1863517839 LEFCYRJYJSIZHI-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N(CCC(C)C)C1=O 1863757825 HIINOQXRYUGPEN-UHFFFAOYSA-N 430.589 4.780 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(F)cccc2Cl)cn1C[C@@H]1CCCO1 1870636858 MRWPBKYJVYPFMN-IBGZPJMESA-N 446.950 4.573 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccccc3OC)ccc2C1=O 1871411524 IROOAMQBENVKOJ-SGMWPGOQSA-N 445.471 4.726 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871425196 BWYZLJKKOXOVMK-GEWRUKCFSA-N 431.444 4.813 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1 1872504015 GIHIDPZTYHCXOT-QHCPKHFHSA-N 428.598 4.924 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c1 1872788304 GLHKJDCSLMWQFM-KRWDZBQOSA-N 442.924 4.908 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)Nc3cccc(OC)c3)cc2[nH]1 1872805278 IMUIPKPOQQQSBS-UHFFFAOYSA-N 429.476 4.968 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCCN(CC)CC)ncnc21 1873624874 VUPPTQXYWUFJDP-UHFFFAOYSA-N 440.979 4.585 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCc2ccccc2OC)nnc1SCC=C 1874313999 YHDPDABICMODPU-XIEYBQDHSA-N 434.565 4.797 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)c1 1874426199 WBTDLBSAWFWSCG-MFKUBSTISA-N 443.532 4.572 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874432003 JBBBJMKTKRHHKF-YSURURNPSA-N 448.379 4.704 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1F 1874456581 XUZUGTCWVUPEAZ-BUVRLJJBSA-N 431.581 4.698 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(F)(F)F)cc1 1874459236 CRTDGYDXIMBEQI-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2C)cc1 1874470204 SOUORWFOSCFICR-KOEQRZSOSA-N 437.613 4.796 30 10 IJEE CCCOC(=O)COc1cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)ccc1OC 1874599424 MFKUYVGUYMTAHY-DHZHZOJOSA-N 442.508 4.721 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCC(=O)OCC(C)C 1874605725 CIIVHZMESUHYCN-VAWYXSNFSA-N 438.520 4.906 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCCSC)c(OC)c2)c1 1875102488 JYAXEOUUTSUWAC-ZHACJKMWSA-N 430.522 4.657 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cn(Cc2cc(OC)cc(OC)c2)c2ccccc12 1892300287 QKRBTPCOTATNBC-SZPZYZBQSA-N 430.548 4.959 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCNc2cc(Br)c(C#N)cc2F)C1 1962841221 HNICOSXFOSPKID-CYBMUJFWSA-N 426.330 4.909 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(I)c(Cl)c1 1995499558 DPSFUIVAOQDXFI-CQSZACIVSA-N 449.716 4.526 30 10 IJEE CC#CCCC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2018328955 CUESJCPYVCPZPE-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE COCCCCN(Cc1ccccc1)Cc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 2034738985 FABAHPQEVGRFCK-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(Cl)c1F 2036852121 XQUYJYYTKRXNIG-ZDUSSCGKSA-N 434.737 4.605 30 10 IJEE CCOC(=O)c1[nH]c(C)c(C(=O)C=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)c1C 2040474905 UUHYQSHSRLZFBI-UHFFFAOYSA-N 429.879 4.991 30 10 IJEE C=C(COCC)[C@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041899205 GWWNZUZZWKPWJW-JYFHCDHNSA-N 446.632 4.791 30 10 IJEE CC(C)(C)c1nn2c(Cl)c(C#N)cnc2c1-c1ccc(I)cc1 2081224163 DWCFMFLCOKKWFP-UHFFFAOYSA-N 436.684 4.823 30 10 IJEE C=CCN(CC[C@@H](NCCC)c1c(Br)cnn1CC)C(=O)OC(C)(C)C 2099286582 AKMABCRPGWXPHC-MRXNPFEDSA-N 429.403 4.519 30 10 IJEE COCC[C@]1(Nc2ccc(C#N)c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2162312545 JDHICNFLRZMSGG-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3cc(Br)c(C#N)cc3F)C[C@]2(C)C1 2172914716 XZEOFPMNQDOKRK-LRDNONRASA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(c3cc(Br)cc(F)c3C#N)CC[C@H]2C1 2174809952 GMLZBVYCFPNDFZ-KBPBESRZSA-N 438.341 4.543 30 10 IJEE CCC1(C#N)CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CC1 2182942226 GQQBOIUZMCUODZ-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190479807 WJGLHZPPWKHZBA-RFRHCEIRSA-N 447.428 4.802 30 10 IJEE CC1(C)CC[C@H](Oc2cc(Br)cnc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2198815410 LWGPOYIAHIPGRF-CJNGLKHVSA-N 438.366 4.814 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OC)c1Br 2207358393 WUZMHGNCJHMWHW-VQIMIIECSA-N 439.394 4.805 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)Cc2cscc2B2OC(C)(C)C(C)(C)O2)CO1 2214601762 GKPCCPPTDDUFKB-HXUWFJFHSA-N 427.419 4.617 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2229034796 TXTMVQVJWYVRQN-ROUUACIJSA-N 442.365 4.506 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1ccc(CN(C)C(=O)OC(C)(C)C)o1 2235735100 YTMXPWJENNVQML-GOSISDBHSA-N 433.346 4.721 30 10 IJEE C#CC[C@@H](CN(C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243914412 BQKWVZDWABRNJF-NRFANRHFSA-N 444.575 4.813 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)C2CCC2)c(B2OC(C)(C)C(C)(C)O2)c1C 2247801588 DSWWMMWRTLAMNZ-UHFFFAOYSA-N 425.403 4.859 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2248830724 GNHHHDSBXATJRK-YJPQMCDFSA-N 434.541 4.509 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)ccc1F 2254800267 MPHPFBUEMDMXSP-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2261827442 GXAYGZNXODFONO-GMAHTHKFSA-N 449.588 4.806 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(CC(=O)C#Cc1cccc(Br)c1)C(F)F 2278733270 RQVUSBRNZOUXQH-IBGZPJMESA-N 430.289 4.556 30 10 IJEE Cc1cc(Cl)ccc1OCCCC(=O)C=C1NCCc2cc3c(cc21)OCCCO3 2296189435 OEQZWRJUGMSYGI-UHFFFAOYSA-N 427.928 4.725 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@H](O)C#Cc2cccc(Br)c2)C1 2296217622 WTIIGWXMFWBBHZ-KPLVRAHFSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H](C)C1 2296223568 BGJTZELWMGIDNO-PERKRYKHSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CC1CC(NC(=O)OC(C)(C)C)C1 2296276674 KOIRFNLZIPZKJQ-SKINQDTJSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2296286129 IGKGMRVTHFJSQI-HKUYNNGSSA-N 435.406 4.672 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCO[C@H](c4ccccc4)C3)C2=O)cc1 2297576175 WMOXJCAFJCPDJA-VWLOTQADSA-N 443.499 4.591 30 10 IJEE COC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)Nc1ccc(C)cc1C 2297651134 ZVBOOUIAYJPGKU-PKOBYXMFSA-N 431.458 4.531 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c1)C2=O 2314527055 CCPWKPOWLJRVJY-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CCOCC1 2318922943 KRXFMUMJNDXJMH-GOSISDBHSA-N 449.523 4.533 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)cc1 2321965108 DFISAXWCMZODEO-UHFFFAOYSA-N 433.485 4.503 30 10 IJEE CCOc1ccc(C=C(C(=O)Nc2oc(C)c(C(=O)OC)c2C#N)c2ccccc2)cc1 2322134338 LRKLERUOKPBQDN-UHFFFAOYSA-N 430.460 4.824 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OCCCO 2323524566 PUBMBOYXDYSDBC-UHFFFAOYSA-N 440.279 4.958 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCC(N2CCCCC2)CC1 2324209978 YZAVBQDRVPUGQV-UHFFFAOYSA-N 436.527 4.598 30 10 IJEE COc1cc(C=C2Oc3cc(OCCOc4ccccc4)ccc3C2=O)cc(OC)c1OC 2324220137 PUGLKZSQLFSSGL-UHFFFAOYSA-N 448.471 4.786 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4)cc(C)c3C2=O)c1 2325715446 VOHDSRKDMXVUFQ-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE N#Cc1ccccc1NC(=O)CCCCCNC(=O)C=Cc1ccc(Br)cc1 2328706997 FUQUDUMZLVAPDZ-UHFFFAOYSA-N 440.341 4.649 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)c1 2330625473 QFZAESJVCMSLMW-UHFFFAOYSA-N 443.532 4.567 30 10 IJEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)c(OC)c1 2331142285 JNZLMIJCSDHDPJ-UHFFFAOYSA-N 436.459 4.531 30 10 IJEE COCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331239159 RIOWEXPZCVBIJU-UHFFFAOYSA-N 445.932 4.512 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)c(OC)c1 2331729047 KOIQGFXVFHZPIB-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(OC2CC2)c1 2337564629 ASOHZHRWSCIPOZ-ROUUACIJSA-N 425.367 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582223 PTKFLGCBKHEPCB-GOSISDBHSA-N 443.397 4.784 30 10 IJEE C=CCC1([C@H](O)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2339699543 CCHMGIRNVMPUPQ-QGZVFWFLSA-N 426.351 4.613 30 10 IJEE CCCCCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2 9608564 HNNULLLLXQQGHS-HXUWFJFHSA-N 428.558 4.600 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)c1 20160443 FJJZZVMDVXGLAU-UHFFFAOYSA-N 430.526 4.720 30 10 IJEE COc1cccc(/C=C2/Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1OC 33334942 LNBBFLBGRMDUGE-WSDLNYQXSA-N 433.416 4.807 30 10 IJEE CCCCn1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(C#N)c2nc3ccccc3nc21 33728090 QCTOPSSUQXOHEA-QXMHVHEDSA-N 440.463 4.816 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c(OC)c1 34954447 MNIGVSFZSXLSFJ-FMIVXFBMSA-N 433.416 4.727 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2[C@H]1c1ccc(OCC)c(OC)c1 39912080 BLGAAKMPERAUIK-HSZRJFAPSA-N 433.508 4.538 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 63394332 UTHNETAPAFJZBY-HXUWFJFHSA-N 425.485 4.763 30 10 IJEE N#CCCn1cc(C(=O)CSc2n[nH]c(/C=C\c3ccc(F)cc3)n2)c2ccccc21 96942218 HYMAQJZVTLGUNA-FLIBITNWSA-N 431.496 4.958 30 10 IJEE Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Br)c3)CC(=O)N2C)cc1C 100262441 ARTZLBADZWWULK-HLGQQVFSSA-N 446.370 4.656 30 10 IJEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCc2ccco2)C(=O)N1c1cccc(Cl)c1 105609811 HXTRHFXIKFJQLC-LJQANCHMSA-N 439.924 4.776 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169964477 WHDOGCQHXBOVLY-NRFANRHFSA-N 437.854 4.963 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccs2)c1 169988285 ZHVADLUPGCURTF-LJQANCHMSA-N 427.428 4.818 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1 170059275 NJYCGTPRODPFAU-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2F)cc1C 170071497 QBXWRBZZGHFOEO-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1c[nH]c2ccccc12 170073245 VLPCTIWCWLGKLZ-QHCPKHFHSA-N 444.487 4.917 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)c1 170121582 LTIFUCDJUBVJGD-NPMXOYFQSA-N 433.504 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1Cl 170135583 RRJOJDFJQUCGTH-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)cc1 170157832 ZGRLERFUURFTMN-JLCFBVMHSA-N 447.512 4.863 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1cccnc1 170195240 OYFDYWLNDLIJFC-QGZVFWFLSA-N 435.307 4.775 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccncc2)c1 170202809 JXVZXJQGXYASCX-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 170228684 YYGURIDHUNEVIG-HSZRJFAPSA-N 427.456 4.549 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170229133 GKXWYLWKJAKODF-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 170237023 SUGLYDDFSATTQV-IBGZPJMESA-N 426.856 4.769 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2F)c(OC)c1 170249647 OIGQBVCNNBFUKF-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)c1 170250456 YCROHPBWPFKRPF-QFIPXVFZSA-N 435.451 4.984 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 170254314 CVZBGZSKMSVASN-HSZRJFAPSA-N 438.439 4.680 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2C)c1 170271561 JNWZFFCXQVPLEG-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(N(CC)CC)cc3)C(=O)N2C)cc1 254848002 DQFUPQPXXUZOTL-SNSRFIGSSA-N 437.565 4.943 30 10 IJEE CC(C)N(Cc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1)C[C@@H]1CCCCO1 441799664 WJPFTEWRCRRXRX-VUNKPPBISA-N 426.605 4.918 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N(Cc2ccco2)Cc2cccs2)CC1 446636420 FVNSKJCPHSYNOP-UHFFFAOYSA-N 436.537 4.710 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 475556216 PLMSPFXNTMBJEZ-KRWDZBQOSA-N 429.586 4.672 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 493077652 JFLNNLCBAXITIC-IPVFLDMMSA-N 448.563 4.805 30 10 IJEE Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s2)cc1 503129727 DQWSQLAXSZQMID-HJPURHCSSA-N 427.570 4.866 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 508475374 YXELDYWXTMEVRL-WOJBJXKFSA-N 434.540 4.556 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 508510950 SLBQISCJWFWVHB-HYFFOGBASA-N 449.020 4.573 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(F)cc2)c1 526523476 YLMKFTJNCMOTCA-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE Cc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(SCc3ccco3)C2=O)c1C 526667186 MIUKLNPSJAKAFI-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cc2)cs1 534343435 DMAQSEUQCZEXLK-UHFFFAOYSA-N 447.564 4.575 30 10 IJEE N#C[C@H]1CN(C(=O)c2csc(-c3cccc4ccccc34)n2)CCN1Cc1ccccc1 537569494 VRIBYIIJTFOSRG-NRFANRHFSA-N 438.556 4.813 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 549636522 AGIQQHHDLRGBOD-GOSISDBHSA-N 448.036 4.685 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 684783145 UDHQQHZFUYJSNH-IUODEOHRSA-N 447.379 4.621 30 10 IJEE C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 685540895 SVIIRDMDAGLDFF-SFHVURJKSA-N 436.478 4.611 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)cc(C)c1 742214942 NTTVTSWHCNHBOL-NRFANRHFSA-N 437.540 4.816 30 10 IJEE COc1ccc2sc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)c(C)c2c1 745342048 GCDJVYMVGQFKPP-GFCCVEGCSA-N 440.546 4.824 30 10 IJEE N#Cc1ccc(C(=O)COC(=O)c2cc(Oc3cccc(Br)c3)ccn2)cc1 748305502 AGXZNTWPPUFMSU-UHFFFAOYSA-N 437.249 4.548 30 10 IJEE CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)Nc3ccc(C#N)cc3Cl)cn2)CC1 757725643 FSKLTDUUGCXGCX-UHFFFAOYSA-N 444.923 4.624 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)OCc1cc(Cl)ccc1OCC#N)c1ccccc1 768063747 WTLYFHUMCVKDJB-UHFFFAOYSA-N 430.888 4.727 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccsc1 790758831 YHAZHRKBYVHPCU-FQEVSTJZSA-N 433.558 4.885 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(C)cc2)n[nH]1)c1ccc2ccccc2c1 1084182503 XOIURQUUCRERES-UHFFFAOYSA-N 430.537 4.833 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccccc1 1084616715 ADMIORXZMODGJK-UHFFFAOYSA-N 430.537 4.915 30 10 IJEE C#CCCOc1ccc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cc1 1134894682 JEUUGYOBYSZEMS-UHFFFAOYSA-N 428.863 4.678 30 10 IJEE C=C[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1137046203 KXCGILLBBJHMLX-DHIUTWEWSA-N 439.964 4.919 30 10 IJEE COc1cccc(Nc2ccccc2C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 1137628575 GLDNPXUXFSBKAN-UHFFFAOYSA-N 442.519 4.825 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@H](c3cccc(Cl)c3)C2)c1 1169013219 CZJPJTYCPKPLLT-CVDCTZTESA-N 425.960 4.666 30 10 IJEE C#CCN1CCC(NC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)CC1 1214269334 FIPZPDALRVFWPY-UHFFFAOYSA-N 427.932 4.750 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c(Cl)c1 1220235593 YFOUMWCRIRYYJR-UHFFFAOYSA-N 432.307 4.563 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)CCCN1C(=O)OC(C)(C)C 1264747448 CHBOXXDSEZAWMP-QFIPXVFZSA-N 436.936 4.801 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)cc(OC)c1OC 1266312893 KVBTXJJBZMISAP-CYBMUJFWSA-N 436.321 4.695 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1cn(-c2ccc(F)c(C)c2)nn1 1270786581 NRULRNFAQBOSMF-UHFFFAOYSA-N 435.377 4.655 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)c(OC)c1 1277367779 PAQQUEQJMDCNJK-UHFFFAOYSA-N 445.235 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCN1CCC 1286437607 PEIRLSNWJBRSNR-NRFANRHFSA-N 448.640 4.711 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286504306 LOHJSXLDWPDNBN-LJQANCHMSA-N 435.597 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H](C)CCC 1286553421 UYOHIQZZTTZXMT-SPEDKVCISA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](c2ccco2)C1 1286600585 ORGUHXCGHDVJEQ-RBUKOAKNSA-N 440.519 4.737 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1286649417 TXMRAWSFQRFQAJ-WIOPSUGQSA-N 438.616 4.680 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286702380 MBBLZASYAIRXGE-NRFANRHFSA-N 435.547 4.725 30 10 IJEE CC(=O)c1ccc(Br)cc1NC(=O)c1occc1COc1cccc(C#N)c1 1289041315 CXXVRGGZESKJBT-UHFFFAOYSA-N 439.265 4.948 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)cc21 1289390291 JHCYUMKINZMNEL-JOCHJYFZSA-N 428.458 4.615 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)C(C)C 1292957661 NKJHBDMISGLRLZ-HXUWFJFHSA-N 435.012 4.688 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1 1296464636 APGNOWPPBFGVPO-QFIPXVFZSA-N 440.540 4.798 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 1298784680 WSRVWAQBHNYQEO-KRWDZBQOSA-N 446.897 4.742 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC2(CCCCCC2)C1 1300422491 POMOSOSMWZEWPI-UHFFFAOYSA-N 442.991 4.854 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@H]21 1300425827 YIMZGMSPERDSAM-HBMCJLEFSA-N 441.620 4.923 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCOCC1 1300602572 RWWNDEQRPYXMRO-IBGZPJMESA-N 445.007 4.965 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)[C@H](C)CC 1300603943 YWYZQUUYTVWWKJ-MZNJEOGPSA-N 437.613 4.634 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1300741406 WATXGRZZHNKJFD-PNCHPQGNSA-N 428.577 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CCC1 1300868012 ATFZETZIUCAIRX-GUYCJALGSA-N 437.407 4.739 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(CC)Cc1ccc(Cl)s1 1300884182 IJIWNMQOTJHCSY-GJYPPUQNSA-N 437.009 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(OCc3ccccc3)CC2)nnc1C(C)(C)C 1300898705 ZOYLAZODOCORDV-GGAORHGYSA-N 438.616 4.742 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H](CC(C)C)N(C)C)CC1 1301130190 RHAHAQUIBKOONP-HSZRJFAPSA-N 434.632 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301155162 INQDPMXTLXQMCW-GGAORHGYSA-N 438.616 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301159966 JCNCHALEYRTTSX-OAQYLSRUSA-N 448.615 4.804 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301208467 XJQATIDSPTVPOC-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](c1ccsc1)N(C)C 1301289957 WEWNSOFAJGZJPP-FQEVSTJZSA-N 434.569 4.587 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCOC(C)C)C1 1301542610 PKCIKUCGPMLOPV-ICSRJNTNSA-N 444.645 4.728 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1301621415 YLDBJCKCEJYOJL-UHFFFAOYSA-N 434.034 4.883 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cscc1C)[C@H]1CC[C@H](C)C1 1301747943 HQNATOSCCRBGPI-JTSKRJEESA-N 435.597 4.876 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 1310739190 CJCQIUGPRBKHAO-FZKQIMNGSA-N 425.476 4.562 30 10 IJEE C=CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1)c1nc(-c2ccccc2)cs1 1350510401 RWWGSNMYZQIDLX-QFIPXVFZSA-N 430.533 4.553 30 10 IJEE CCN(CC)[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1 1354969773 CFDPXKDAIQIYDL-AREMUKBSSA-N 427.548 4.950 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CC(C)(C)c2ccccc2)c(C(=O)OCC)c1C 1355007061 BKRADGOVOLMGDM-UHFFFAOYSA-N 429.538 4.882 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 1357771964 VVGGRKLFAZAAIG-UHFFFAOYSA-N 426.495 4.667 30 10 IJEE C=CCc1cc(CNC(=O)Cn2c(-c3ccccc3)nc3ccccc32)cc(OC)c1OC 1358055993 JMMRBMQXUGVLTO-UHFFFAOYSA-N 441.531 4.765 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC1(COC)CCCC1 1358875569 SEJOYXRJNGWWPA-HXUWFJFHSA-N 431.584 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)Oc1cccc(F)c1 1358899369 LZBGISBMEKOBJW-HVJHZFLKSA-N 442.579 4.651 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(C)C)CC1 1358919790 KIVCARWIASWNOM-HXUWFJFHSA-N 444.023 4.632 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSC(C)(C)C1 1358920195 UVCIZXMSHVYOGS-GOSISDBHSA-N 428.602 4.562 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1359062387 GGDOJLDXKLBUHI-WRTQPQOASA-N 430.662 4.578 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(SC)CC1 1359113099 ZUFHNGLERKUPIG-GOSISDBHSA-N 449.665 4.691 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1359121458 PWYNTLWEYBYUEQ-MOPGFXCFSA-N 436.478 4.693 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)CN2CCCC2)CC1 1359181907 LZUUTHRVONVLQL-NRFANRHFSA-N 437.632 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccccc2Cl)nnc1[C@@]1(OCC)CCOC1 1359191985 RWJZACIXGCJNMM-HSZRJFAPSA-N 432.996 4.822 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359199389 UHKOGQUTMOWWAM-MSOLQXFVSA-N 446.437 4.983 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCCCC2)CC1 1359221454 CBJQUHPWTGYJDA-FGZHOGPDSA-N 429.653 4.618 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1F 1359346197 FEVVRVBKSPKUFW-UYAOXDASSA-N 432.609 4.891 30 10 IJEE C#CC[C@@]1(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)CCCN1C(=O)OC(C)(C)C 1360102286 DJNFLQSMZJVPJL-VWLOTQADSA-N 445.003 4.914 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 1435620776 KTPQTTAUBWMNTL-NRFANRHFSA-N 431.513 4.501 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1F 1436654718 PQPJERNMDZUBRO-DHIUTWEWSA-N 432.882 4.667 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(Cl)c1 1454785732 HJVYNFSMIOLBTN-XXBNENTESA-N 436.955 4.709 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)ccc1Cl 1460037328 FHKFIDKYADYIOC-OMZJQYJESA-N 432.008 4.547 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(Cc2ccccc2C)CC1 1464083917 BOQHLADUKIYSFU-UHFFFAOYSA-N 432.486 4.927 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)cc1C(F)(F)F 1464288348 FODJKRLCZJDCFM-UHFFFAOYSA-N 442.890 4.874 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 1465325765 YYMPICXEPLSTKP-XMMPIXPASA-N 445.563 4.609 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)CCCC1 1467990624 GUZJUCPFZPQNSJ-UHFFFAOYSA-N 442.581 4.671 30 10 IJEE CC(C)(C)c1ccccc1Nc1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1468536804 FLZUODZHXLBQEY-UHFFFAOYSA-N 439.563 4.957 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 1470785608 AVWMUYXFUQXDNL-OAUYIBNBSA-N 449.311 4.935 30 10 IJEE CCCOc1ccc(O[C@@H]2CCCC[C@H]2N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1473397136 HOICAMLNRMWDHN-TWJOJJKGSA-N 447.579 4.822 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1F 1473519798 SCDALDKCORXQLH-KBPBESRZSA-N 425.367 4.904 30 10 IJEE COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1475957201 BBVLRBWGPJTJGC-LJQANCHMSA-N 428.492 4.996 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cccc(-c2nnc(C)n2C)c1 1476728475 BNHUQCGQUZTZRR-UHFFFAOYSA-N 442.317 4.762 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccc(C(F)(F)F)cc1 1478272631 NMUAQUQTKYVODH-OALUTQOASA-N 431.458 4.600 30 10 IJEE C=CCn1cc(CNC(=O)N(CC)Cc2cc(F)ccc2Oc2ccc(Cl)cc2)nn1 1478855309 JERYWWDMFVXYDD-UHFFFAOYSA-N 443.910 4.781 30 10 IJEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccc(Cl)s2)CCO1 1493310732 FLOXGZVKQUKOLI-DOTOQJQBSA-N 441.988 4.983 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)C1 1505206400 GJYKENLDJNFIBM-FGZHOGPDSA-N 439.629 4.888 30 10 IJEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCCO2)n1CCOc1ccc(F)c(Cl)c1 1505324564 DYJGVOOYRNXHPQ-FQEVSTJZSA-N 447.942 4.521 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@H](C)C1 1507780986 KZKNKUICAVIIOU-HNNXBMFYSA-N 449.393 4.887 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(CN(C)CCCC)CC1 1507795358 DLAFTSGGFLSXHL-DNQXCXABSA-N 443.680 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H](C)CCSC 1507798110 URFNYECCQSVGDY-CUWPLCDZSA-N 430.618 4.513 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSc2ccc(C)cc2)CC1 1507882369 ZPNRSWMRUQJRBE-XMMPIXPASA-N 442.629 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCCCC1 1507915694 WWNVCYLUBBAOIB-UHFFFAOYSA-N 429.996 4.844 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CCOC)CCCCC1 1507971132 PQZXABDBGVGKLK-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1507990601 RDNCSXNYCFXMDC-PMACEKPBSA-N 425.596 4.997 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCc1scnc1C 1508011266 BQKQKENCMDNILM-UHFFFAOYSA-N 444.402 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)Cc2cccs2)C1 1508111745 IFQZBYPGNHGKJS-ZWKOTPCHSA-N 426.561 4.806 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1508168857 ZIBKOAOVTPGBIR-YUXAGFNASA-N 437.613 4.663 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)s1 1510853731 DNFOYSTWLBJHOR-NRFANRHFSA-N 446.580 4.719 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CC1(C)C 1512329850 AMGHKUCSXWZRSD-HOYKHHGWSA-N 439.629 4.887 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](SC)C(C)(C)C)C[C@H](C)O1 1514137475 GZSZQTWGYNNXTI-PWIZWCRZSA-N 427.618 4.598 30 10 IJEE COc1ccc(Cl)cc1C(F)(F)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1520348698 FROZABQRULJPJM-UHFFFAOYSA-N 437.233 4.790 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3c4c(ccc3s2)CCCC4)CCCN1C(=O)OC(C)(C)C 1522854503 BKAWEAQXNMPGEE-DEOSSOPVSA-N 439.581 4.907 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COc1ccccc1Cc1ccccc1 1523502452 NJRMCASVTDVRDT-UHFFFAOYSA-N 446.499 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 1524835221 LBTXCNCKZCJVKQ-CZAAIQMYSA-N 448.332 4.806 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)cc2C1=O 1525743460 PSQRNVPVZGKHDA-KRWDZBQOSA-N 442.437 4.507 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 1528639954 GHIHJBCVFKCKNZ-UHFFFAOYSA-N 449.717 4.657 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N=[S@](C)(=O)c2ccc(N(C)C)cc2)s1 1531658007 JDIBGZQCOBGLRI-HHHXNRCGSA-N 444.047 4.588 30 10 IJEE C=CC[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1)c1ccccc1 1533929757 MGTTWRQDDWYFGM-JLMWRMLUSA-N 430.951 4.717 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)C(=O)OCC 1535345376 WWYYBCNUQJCNCU-LJQANCHMSA-N 439.895 4.573 30 10 IJEE C=CCOc1ccc(COC(=O)c2nn(-c3ccccc3F)cc2Br)cc1 1536721242 ATQSHCKOLGRLDU-UHFFFAOYSA-N 431.261 4.696 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2CCCCc3cc(OC)c(OC)cc32)cc(OC)c1OC 1536914530 FSHKVVWQGMPSSH-HXUWFJFHSA-N 425.525 4.647 30 10 IJEE C#CCC1(NC(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)CCOCC1 1537957202 DIZXFTAAKCLBRZ-UHFFFAOYSA-N 449.732 4.592 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 1538097550 HHJWVNBGQIMKAE-INIZCTEOSA-N 427.342 4.668 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)CCC(C)C 1538985055 VNOIHOUVOAVDSX-UUOWRZLLSA-N 428.646 4.921 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1c(C)coc1C 1539191051 ZKQUROQIVBZVOF-UHFFFAOYSA-N 426.948 4.579 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1539344852 LFVUEUZPYPCFBJ-NVQXNPDNSA-N 433.644 4.718 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCCSC 1539390642 UCIFUUJEPLOYLO-UHFFFAOYSA-N 429.952 4.526 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](CC)C1 1539607328 CEWYTPHHSOKBMV-CQSZACIVSA-N 425.758 4.655 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nccs2)CC1 1539882012 CHKZXLYRXFJNBY-UHFFFAOYSA-N 439.585 4.648 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1540006188 AIFBBYFXCZOKJM-NOZRDPDXSA-N 431.584 4.834 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC(CC)CC1 1540027869 DRJMCNXGRFSUIR-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1540048774 BENGHIYUZSUAEW-UFYCRDLUSA-N 443.611 4.936 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CCc1ccn(C)n1 1540140337 NMEGWQWQSIZQKZ-UHFFFAOYSA-N 438.988 4.829 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCSC(C)(C)C1)C(C)C 1540150982 BIZDBSJSTSZSJV-FQEVSTJZSA-N 433.710 4.897 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1540911162 OFSVOUWCWXGMFD-NRFANRHFSA-N 443.661 4.714 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1)C1CC1 1541510701 GSIIRHYPAIZUAG-HXUWFJFHSA-N 427.643 4.680 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1)C(=O)OCC 1544344919 NPKNNAVTASXPGB-KRWDZBQOSA-N 426.822 4.572 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)c2cn[nH]c2c1 1558456078 DCISOGLKJSCXPM-CQSZACIVSA-N 432.830 4.556 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C)C(C)C)nc2sc(-c3ccccc3)cc2c1=O 1559352575 TVDOFCRYOZGYSY-HNNXBMFYSA-N 427.595 4.658 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCc3cnn(C(C)C)c32)cc1OC 1560431525 XBJFNFNXCYPFSR-GOSISDBHSA-N 434.378 4.967 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(OCCC)cc3OC(F)F)cc21 1563315972 SBJABFZDJUCXDV-UHFFFAOYSA-N 430.455 4.934 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1Cc2cc(Br)ccc2C[C@H]1C)C(C)C 1563453449 HYMUODGRZWVBHW-UTKZUKDTSA-N 434.422 4.604 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 1563827652 QKMNMYNLQMJROG-UHFFFAOYSA-N 427.508 4.640 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@]2(C)Cc2ccccc2F)ccc1OC 1564024974 FDGFJPMMFDYYLO-NLFFAJNJSA-N 439.531 4.822 30 10 IJEE C=CCC[C@H](NC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1564397182 ZBDJWLKMDQJONN-VWLOTQADSA-N 434.584 4.616 30 10 IJEE C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1568490052 BYTJIWSBHOFYHE-HRAATJIYSA-N 449.904 4.946 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 1586632529 AOUWFNONVUPABB-INIZCTEOSA-N 425.357 4.786 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC2(CCCCC2)O1 1587562390 OOQQPBQWHHFHLC-UFYCRDLUSA-N 440.563 4.897 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCC1CCOCC1 1587807452 DHCBAMOCGLQXCW-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccnc1 1588266923 XQNCVUUYPXZURZ-IBGZPJMESA-N 437.975 4.786 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1nc(C)c(C)s1 1588550400 PZTSEVWTNNSDOW-UHFFFAOYSA-N 425.577 4.767 30 10 IJEE C#CCSCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(-c2ccc(F)cc2)s1 1589126046 VUJUCHVKWGJFJD-UHFFFAOYSA-N 438.557 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1Cc1cccnc1OCCCC 1589192003 DEOOIBHSDFEISB-AREMUKBSSA-N 445.567 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1589215611 BYVHTUMJQKMNAS-KBMIEXCESA-N 443.636 4.506 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1589543913 CRJRCFSSWMFHBS-WPYKKVEZSA-N 445.007 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@](C)(O)C1CC1 1589687956 VEQQKUOIKDRRLE-OAQYLSRUSA-N 439.387 4.727 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1593735574 LNTOJKZUGSLWEY-FQEVSTJZSA-N 434.588 4.596 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 1594766795 DICYGYYZTYQVPV-UHFFFAOYSA-N 428.552 4.890 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1(CC)CCOCC1 1595093650 GUWHZEAHDWFOOS-HSZRJFAPSA-N 449.599 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1cccc(OC)c1OC 1595156780 PUYVJJXEVHBSQS-UHFFFAOYSA-N 435.553 4.593 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(F)(F)C2)cc1 1595639592 CYAKSUBWMAFMLN-WOJBJXKFSA-N 446.542 4.655 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2ccccc2F)C1 1595737951 JNBPMYFEHPHHCM-HXUWFJFHSA-N 426.580 4.909 30 10 IJEE C=CCOc1cccnc1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1595745250 KZAYPDBOICKREH-UHFFFAOYSA-N 429.398 4.783 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(OCC(=O)N(CC)CC)c(Cl)c1 1620730636 GVAJHHPFLABJCH-UHFFFAOYSA-N 435.351 4.865 30 10 IJEE C#CC[C@@]1(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)CCCN1C(=O)OC(C)(C)C 1621088345 UJHMJNUQGLLNJA-SANMLTNESA-N 434.536 4.624 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 1621853392 BLUHOMAGCMNNHR-IBGZPJMESA-N 434.561 4.651 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 1622076606 AXOSRDQUHFEXAK-INIZCTEOSA-N 443.725 4.639 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@@H]3[C@@H](O)c3ccccc3)c2)nc1 1623142694 FXHFMNUWQYGANO-VWNXMTODSA-N 428.492 4.866 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)c1 1623148358 CCRNUPIHXGIRAD-UHFFFAOYSA-N 434.517 4.576 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4cccc(Cl)c4)c3CC)n[nH]2)c1C 1623339030 WPXFDXAXGTVXPV-UHFFFAOYSA-N 449.946 4.730 30 10 IJEE C#CCN(CC(=O)N1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1)C(=O)OC(C)(C)C 1623859407 ZOPVHNGSAIKGGE-ILBGXUMGSA-N 448.563 4.623 30 10 IJEE C#CCN(C(=O)c1ccc(C(C)C)cc1O)[C@H]1CCOc2ccc(Br)cc21 1628057410 FLOAZPYBXBERRP-IBGZPJMESA-N 428.326 4.877 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc3cccnc3n2)CC1 1628099919 HYVYVFMLPWEWHJ-NRFANRHFSA-N 438.572 4.585 30 10 IJEE C=CC[C@@H]1CCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)C1 1628733809 GBVZTSGJEFEVDI-JOCHJYFZSA-N 435.568 4.900 30 10 IJEE C=C[C@](C)(O)CC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1629814918 LKYZDUQIQBUVDD-QUCCMNQESA-N 440.740 4.969 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cc(-c3ccccc3OC)no2)s1 1633933124 GUVWWVLOPWXWSX-UHFFFAOYSA-N 449.985 4.819 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 1634086521 GODDSWCOMIRUSW-IZAXUBKRSA-N 439.581 4.986 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 1636720254 NRACRZJVBWMZTJ-OAHLLOKOSA-N 432.870 4.847 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)C(=O)OCC 1636837451 AJBJVEBLGPYJBW-IBGZPJMESA-N 431.916 4.555 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1637668359 CJINLRJCWLEZHR-NRFANRHFSA-N 429.605 4.852 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 1638105782 QAPPMCVBRKZDGN-UHFFFAOYSA-N 427.264 4.884 30 10 IJEE N#Cc1cc(F)c(Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1Br 1639485472 HFWHLXYWYKZPBG-UHFFFAOYSA-N 437.272 4.801 30 10 IJEE C=CC1(CC(=O)NC2(c3ccccc3Br)CCC2)CN(C(=O)OC(C)(C)C)C1 1640685570 HVVYQNMUXCRZSX-UHFFFAOYSA-N 449.389 4.758 30 10 IJEE C#CCOCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2 1648265061 XQEKTQCNQCHUPJ-CZIZESTLSA-N 428.507 4.973 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl 1650735226 JUZFLPVZRHYRDP-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE C#CCN(c1cc(C(F)(F)F)cc(C#N)n1)[C@H]1CCOc2ccc(Br)cc21 1655142699 IHTQKEABDACZTA-INIZCTEOSA-N 436.231 4.698 30 10 IJEE C=CCn1c(SCCc2cn[nH]c2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1656028072 GVCCGHSLLCIYNZ-UHFFFAOYSA-N 426.542 4.816 30 10 IJEE C=CCOc1ccc(CNC[C@H](CO)Cc2ccc(F)c(Br)c2)cc1Cl 1656250802 JPXJMJDPEMZCHU-MRXNPFEDSA-N 442.756 4.747 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@H](O)c2cccc(F)c2)cc1OCC 1656683957 LELNRZXYEGHKDB-VLIAUNLRSA-N 438.337 4.763 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)C1 1667649374 SGRCXFMAJNQBTA-KRWDZBQOSA-N 436.487 4.927 30 10 IJEE Cc1cccc(C)c1OC[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 1667901276 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4.911 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 1686018812 VSJCCDOTFURZHJ-FQEVSTJZSA-N 435.524 4.838 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1)c1ccc(Br)cc1 1686920483 YXDOHHDSIRRCEH-UNMCSNQZSA-N 427.342 4.505 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1687509406 KEVNNFJHHKEHOT-XHSDSOJGSA-N 440.009 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC(C)CC1 1689831483 LSSUJJHLKXWRLC-LJQANCHMSA-N 448.640 4.567 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1689938771 WBDWQBKWHZXRIW-MOPGFXCFSA-N 426.630 4.898 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1690262952 UKJLYQUHHUOOQL-ZJSXRUAMSA-N 448.615 4.984 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 1690300699 IKVNOJBUXJWTCE-RTBURBONSA-N 448.995 4.506 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690302829 MJBXRKHJWXBESL-UHFFFAOYSA-N 446.542 4.952 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1690304853 PKPQJXCRNCEGTG-KRWDZBQOSA-N 448.976 4.732 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690363730 AEPCZOLYSYDZJM-YRPNKDGESA-N 428.552 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690437962 VRNYOOJJBXBTGA-GOSISDBHSA-N 438.494 4.535 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690508727 OBTRDXXZXQAWEY-UHFFFAOYSA-N 447.023 4.601 30 10 IJEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCC(C(F)(F)F)CC1)C1CC1 1690549399 AOOGQAWZEWFGHK-UHFFFAOYSA-N 436.526 4.663 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](C)C1)C(C)C 1690581770 YLIQVBXARACZTE-ZFGGDYGUSA-N 432.616 4.608 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1OCCC1(C)C 1690605465 LEHKCGDGWVLFTI-JOCHJYFZSA-N 436.556 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@H]1C(=C)C 1705484142 JQGRGDNJIOSHIS-SKPFHBQLSA-N 446.551 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705484457 PDAJQGSWNMFAEJ-JONQDZQNSA-N 449.368 4.508 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1705516242 WTIKBJCBJCGTIX-LEWJYISDSA-N 428.964 4.555 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1cccs1)N(C)C 1705606303 ZJXCEUVKYPJLDW-OAQYLSRUSA-N 433.625 4.572 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1C1CCC1 1705731100 QZXGXPDKFRVPHS-RXVVDRJESA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1705791300 SFFGBFDDKWALMK-SFTDATJTSA-N 437.588 4.572 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1705809328 ODQZSWRRDORAMT-OAQYLSRUSA-N 425.646 4.910 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705820781 ZAFRREMCZVESFQ-QFIPXVFZSA-N 436.648 4.711 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCN(C(C)C)C1 1705848750 QEMMBPRHMSVFKZ-NRFANRHFSA-N 439.648 4.897 30 10 IJEE 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C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1csc(CC)n1 1722505521 NZSULFMNYWRJAZ-UHFFFAOYSA-N 449.422 4.700 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722577886 SRWBEXPZRYJJDN-RXVVDRJESA-N 443.636 4.984 30 10 IJEE C=CCCCCn1c(N2CCC3(CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722611089 QYQSNNHYKUJIKK-KDURUIRLSA-N 429.609 4.786 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1722612801 XCAIUMXABVHQSM-GOSISDBHSA-N 439.947 4.626 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1cccs1 1722657427 AXIRIJILMZWNSV-GBXCKJPGSA-N 438.597 4.682 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)c1ccccn1 1722677899 HMMQOXXWAFBRNJ-UHFFFAOYSA-N 425.964 4.610 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1 1722707853 ARQRGHOPUBOYLQ-UHFFFAOYSA-N 433.581 4.674 30 10 IJEE C[C@](O)(Cn1c(CC2CCCC2)nnc1N(CCC#N)CC1CC1)c1cccc(Cl)c1 1723972628 IFWVXFSOGVNALS-DEOSSOPVSA-N 442.007 4.702 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)CC[C@H]1C 1740582496 OEPXEGUYHNISBC-HZPDHXFCSA-N 431.378 4.754 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@](C)(O)c1cccs1 1740677800 QXWOCJSLDMRYPR-GAJHUEQPSA-N 426.561 4.540 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1740741129 PZPSLSVLMKFSLR-GOSISDBHSA-N 439.810 4.841 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCCOC2)C1 1740803201 QSNACPZJGOWPNF-IIBYNOLFSA-N 437.371 4.831 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)c2ncc(C)s2)CC1 1740820880 VMLQZRLIPKEBAA-INIZCTEOSA-N 439.585 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740847607 ODTVJQXIDUDAMD-FQEVSTJZSA-N 438.963 4.569 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C(=O)NCCC)CC2)nnc1C(C)(C)C)c1ccccc1 1740855910 PLMNLLHPUJIWQB-JOCHJYFZSA-N 437.632 4.678 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CCOCC1)C1CC1 1740913329 KLQMIMITNLWFMA-UHFFFAOYSA-N 437.371 4.745 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CSCCS1 1740925012 DQOMRSYHQITMFL-VQIMIIECSA-N 434.606 4.584 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)=C(C)C1 1749026049 BUVSGNXLMUFJCS-UHFFFAOYSA-N 440.613 4.654 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@@H](C)C1 1749026767 PQBSGVACXVPTGC-LJQANCHMSA-N 442.629 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1CC 1749119505 SSNPSUJDMIXAMY-WEMPKCCASA-N 428.552 4.917 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1noc2c1CCCC2 1749142913 ADMVHUMPKUTOCQ-KRWDZBQOSA-N 439.535 4.875 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1749334973 IJLFSFNFOQHCPJ-XMMPIXPASA-N 430.600 4.826 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCn2cc(Cl)cn2)CC1 1749347073 HQUYGQYCYLKOML-UHFFFAOYSA-N 443.020 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1cccc(N2CCCC2=O)c1 1749544797 OCAIDOAVCUTVIC-UHFFFAOYSA-N 435.597 4.831 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1cccs1 1749590940 JTABRMKJZUTUKA-HSZRJFAPSA-N 428.602 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C(C)(C)C)no1 1760104494 ZJSOAOQHYWGAPE-LBPRGKRZSA-N 448.390 4.561 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(SC)CCC1 1760245105 REZCJZAHAZRERS-KRWDZBQOSA-N 444.670 4.503 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@@H]1CC 1760278521 XKZAJOBQDPCOEQ-HOTGVXAUSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1760320320 XBHFILWAFCBQIR-RFWXGWTQSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(CC)C1 1760324963 NJCZKRKFTWSDPX-LJGDZFJRSA-N 438.616 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCc1ccccc1F 1760326811 ZZHDTACHZFCERV-NZQKXSOJSA-N 440.588 4.730 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cscn1 1760369312 JIUAQJPVMXSZGB-UHFFFAOYSA-N 438.782 4.861 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760370089 GZTJPONDFAVAEA-HXUWFJFHSA-N 448.995 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760408484 CXNAKCNXVZKGJZ-QFIPXVFZSA-N 432.616 4.731 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)CC1 1760447777 QXEXADRWEIWQLO-MRXNPFEDSA-N 440.922 4.900 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@H](C)C1 1760484350 WGRGLAKXNIAOGL-YDWJEQILSA-N 442.579 4.770 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1760487148 KLWXJAHDVZWKEX-UHFFFAOYSA-N 449.668 4.830 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CCc2cccs2)CC1 1760507826 IWAVQFAOBMVDSD-UHFFFAOYSA-N 448.423 4.864 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 1763326674 CYRNIEGCAZJFBL-XMMPIXPASA-N 434.632 4.954 30 10 IJEE CCCC(O)(CCC)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1763890209 DRPCDHNNAPJRPB-KNQAVFIVSA-N 439.604 4.572 30 10 IJEE CN1C(=O)/C(=C2/SC(=Nc3ccncc3Cl)N(c3ccccc3)C2=O)c2ccccc21 1772733752 AYVGDYXQKCVTOD-VRXFANOASA-N 446.919 4.890 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 1860159533 DVBIGYNKUNLBIB-UHFFFAOYSA-N 439.393 4.847 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2cc(OC)ccc2OC)n(Cc2cccc(F)c2)n1 1862351091 DGTPCUJKLDSSLM-UHFFFAOYSA-N 435.499 4.569 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc2ccccc12)c1ccc(F)cc1F 1862421143 VFJURNYMZCZGHT-HXOBKFHXSA-N 449.453 4.875 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2cccc(O)c2)cc1F 1862639334 WAUSTBPVSATPNC-JOCHJYFZSA-N 439.483 4.841 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 1862735303 HRFKTCWKZDGOTI-HXUWFJFHSA-N 426.444 4.893 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 1862939177 AEZCLQNHEAFUQI-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(Nc2ccc3ccccc3c2)=C(c2ccc(Br)cc2)C1=O 1863197771 XYKUVMKVURBRLR-UHFFFAOYSA-N 433.305 4.980 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1sccc1C 1864502148 JEUUGMXTJWYBPV-IBGZPJMESA-N 444.645 4.914 30 10 IJEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868241810 CISWVVMSDYXKOL-QFIPXVFZSA-N 430.531 4.847 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2C[C@H](C)Cc3cc(OC)ccc32)n1 1868262475 VWZAVYNOQLAVHN-QGZVFWFLSA-N 429.524 4.620 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1 1869013146 JBEXYCHZYNYMKE-VQTJNVASSA-N 435.406 4.674 30 10 IJEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1870152865 OUXRWRQHKGXWPW-DTQAZKPQSA-N 435.487 4.678 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CSc1ccccn1 1870214833 KEZLDBWOWGUUHN-UHFFFAOYSA-N 446.528 4.715 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871382376 RTASQUHYJUSBBJ-DYAARSSKSA-N 426.424 4.708 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 1871407767 QPCIGMDYGPKRHR-DNPFKWNUSA-N 445.471 4.726 30 10 IJEE CCCCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871717277 NBXFNGJCMHUTJA-UHFFFAOYSA-N 440.636 4.954 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871873533 GSNKDUSBRYVKQG-KSFYIVLOSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)C1CC1 1872229437 YKAUETFLCUJZPU-QFIPXVFZSA-N 426.582 4.644 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2c1 1872816948 YVGBPNHZMLKTFK-UHFFFAOYSA-N 440.956 4.761 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCc3ccncc3)ncnc21 1873618744 VKHZDWGNISMWME-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1F 1874222662 XJYUMKXRSMWRPY-BUVRLJJBSA-N 428.533 4.604 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SCCO)cc1 1874264375 UEHYYFRDGBWMJL-ZVHZXABRSA-N 444.988 4.775 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1 1874286371 CFFJEBBBNFAHMU-PXLXIMEGSA-N 431.562 4.617 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccc1OCCC 1874296705 NYTPEAJKWCFRHD-XQNSMLJCSA-N 437.525 4.726 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(F)(F)F)cc1 1874460933 NEQDEIGHDCTPMH-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874498514 MDXLJBBEJSGIBX-UFFVCSGVSA-N 427.357 4.780 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N 1874554517 NJSUSQBRRYMUCD-UHFFFAOYSA-N 437.352 4.735 30 10 IJEE Cc1cc(OCCCc2nnc(S)n2/N=C/c2ccc(N(C)C)cc2)cc(C)c1Cl 1874570945 PMNRNDADKKBMDZ-ZVHZXABRSA-N 444.004 4.797 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC 1874621472 XTNMQTCSOYVJQH-FNORWQNLSA-N 446.883 4.696 30 10 IJEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1[N+](=O)[O-] 1874698302 PNEVEEYSMMDLBH-LFYBBSHMSA-N 432.388 4.927 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)c1 1891710875 CTGYMSQMYDIEQX-LJQANCHMSA-N 438.487 4.693 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1c(Br)cccc1Br 1937822768 DQIYYLCQNPLDPL-HUUCEWRRSA-N 449.183 4.584 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC[C@H]21 1940550664 IVDKTOJJRDRUKB-BXTJHSDWSA-N 447.498 4.858 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2cc(Br)ccc2C#N)C1 1957284529 RJIJUQMOOOPJKP-UHFFFAOYSA-N 442.357 4.947 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1962793689 CAEXNEFOPSSOTK-AEFFLSMTSA-N 437.378 4.812 30 10 IJEE C=CCN(C[C@@H](N)Cc1cc(Br)ccc1Br)C(=O)OC(C)(C)C 1982457289 HMOSTRWXMHLILJ-AWEZNQCLSA-N 448.199 4.505 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)C1CC1 1985180693 PNXVDTBQBYLPES-CJAUYULYSA-N 445.563 4.844 30 10 IJEE C#CC[C@H](CNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CC1 1991313790 SVCQSAWXBRIVHE-FQRUVTKNSA-N 444.575 4.715 30 10 IJEE C[C@@H]1CC(=Cc2ccccc2)c2nc3ccccc3c(C(=O)OCC(=O)NCCC#N)c2C1 2041663593 IOARUMSNYWUBRI-GOSISDBHSA-N 439.515 4.544 30 10 IJEE C#CCCN(C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1 2059617528 XVKLGZNMJYLECJ-JOCHJYFZSA-N 442.600 4.671 30 10 IJEE N#Cc1cc(Cl)cc(Oc2ncc(I)cc2Br)c1 2069535667 KQPRBOSROWLOBJ-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE Cc1nn(-c2c(F)cccc2C(F)(F)F)c(I)c1C(F)(F)F 2079670982 PXFJYMGMJFHMTI-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE COc1c2c(nc3c(-c4cc(F)c(F)c(F)c4F)c(C(F)(F)F)nn13)CCSC2 2081390800 ZKVHAPNPWNNKQN-UHFFFAOYSA-N 437.340 4.769 30 10 IJEE N#Cc1ccc(NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)c(F)c1Br 2086059294 FRIHKEJPANWOHU-FIWNRLKKSA-N 444.304 4.719 30 10 IJEE C[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2118201875 VMFLEFWBPADZNN-OCCSQVGLSA-N 426.330 4.589 30 10 IJEE CCCC1(CNc2ncc(Br)cc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2162412865 GUUBISXTGGWUOV-UHFFFAOYSA-N 437.382 4.945 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2cc(Br)c(C#N)cc2F)CC1 2163262077 OKHFJTXQEZDLSP-INIZCTEOSA-N 444.320 4.857 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccc(Br)cc2C#N)CC2CCC2)C1 2174564409 ZQBRHINCGAZBDV-UHFFFAOYSA-N 434.378 4.542 30 10 IJEE C[C@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CN1C(=O)OC(C)(C)C 2180880802 PHJIDVYPUPTJNE-DVOMOZLQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1 2180916946 COJYNYDMZFWALO-UKRRQHHQSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2cc(Br)ccc2C#N)CC1(C)C 2181097921 IGWPLJCUZQYPBJ-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)Nc1ccc(C#N)c(Br)c1)C1CCC1 2181105893 PMXUGLUHWKPGQM-OAHLLOKOSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CC(=O)Nc2ccc(Br)cc2C#N)C1 2181148282 XHEOGFQDZFCHCJ-BBRMVZONSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1 2181153716 GNSOYACFIYQRSK-ZIAGYGMSSA-N 436.350 4.590 30 10 IJEE CCCc1ccc(C#C[C@@H](NC)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2231150998 AYDJVLHBSLVLES-FTJBHMTQSA-N 449.639 4.604 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2235719932 GTZAXFKSVJFKLU-JKSUJKDBSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C1CCC1 2235725736 DSTGAFFWKCRPFJ-QUCCMNQESA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 2235727542 PQCMIOCEZPGKPA-OALUTQOASA-N 449.414 4.586 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2260371701 DAURFDUABJDKIP-YLJYHZDGSA-N 447.450 4.865 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCC2 2261833689 CEWQCCZIAJXSJO-VWLOTQADSA-N 445.556 4.553 30 10 IJEE CC1(C)OB(c2ccc(F)c(C(=O)N(Cc3ccccc3)c3ccccc3)c2)OC1(C)C 2266975435 GABUVUMEHCCSCZ-UHFFFAOYSA-N 431.316 4.972 30 10 IJEE C=CCCC1([C@H](NC)c2c(Br)cnn2CCC)CN(C(=O)OC(C)(C)C)C1 2281033192 QVSYEBRTDUOCGE-QGZVFWFLSA-N 441.414 4.519 30 10 IJEE C[C@H](c1cc(Br)cs1)N(C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2283025169 NAJJXGMOXKSROB-GFCCVEGCSA-N 437.212 4.589 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1c1c(Br)cccc1C#N 2285217609 XGBPMXVMTFKDST-HNNXBMFYSA-N 444.320 4.840 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2296222783 VXEYSWUCXNQTJX-DENIHFKCSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CCC1 2296266504 JCYIWKIMPLARLW-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H](CC)CN1C(=O)OC(C)(C)C 2296296875 SPOGTJUTHYTUQD-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Cl)c2)cc1C 2296766046 OODROGNURHHGIF-GOSISDBHSA-N 440.908 4.740 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC)c2)c(OC(=O)c2ccccc2OC)c1 2296778290 FJNYTYLIQLWGIO-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=CCC(CC=C)[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2301034630 PLZLVZAJUXTWIQ-HSZRJFAPSA-N 427.633 4.902 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCOC)cc1 2314477894 NUNUZYISADDFLR-VWLOTQADSA-N 449.547 4.880 30 10 IJEE C#CCN(C[C@H](NCC)c1cc(Cl)cc(Br)c1F)C(=O)OC(C)(C)C 2315459834 DAJGOIFFLHCVNM-HNNXBMFYSA-N 433.749 4.763 30 10 IJEE COc1ccc(OC)c(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 2318789093 YMPFNOWASUKYBL-UHFFFAOYSA-N 447.331 4.962 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)C=Cc3ccc(Cl)cc3)nc12 2320450771 UFHDXTIADGTSAN-UHFFFAOYSA-N 443.894 4.915 30 10 IJEE Cc1cccc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)c(Cl)c2)c1C 2321229986 WXVKDMPKQBTMQL-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4OC)c3C)C2=O)cc1 2322698368 JHUSMRWNUXZLMZ-UHFFFAOYSA-N 444.439 4.626 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 2323306731 BEUZOHZZVZPNPB-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)cc1 2323532072 CRTUTNGNILJCFS-UHFFFAOYSA-N 436.847 4.949 30 10 IJEE O=C1C(=Cc2ccncc2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 2324029700 CEVFQBPBHPKWLK-UHFFFAOYSA-N 426.516 4.858 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(F)c2)cc1OC 2324123959 QOBXMDBNUKJTNV-UHFFFAOYSA-N 443.515 4.766 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2324745055 FHFZQIQDGNFKFM-UHFFFAOYSA-N 429.472 4.734 30 10 IJEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2325103630 IHERNLUDWXKXQJ-UHFFFAOYSA-N 438.476 4.698 30 10 IJEE O=C(C=Cc1ccc2c(c1)OCCO2)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325701618 CEMNQIMAPNPRJP-UHFFFAOYSA-N 445.315 4.716 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1OC 2325703400 WASWPLMGLWRZGO-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)[C@@H]1CCCO1 2325738103 LWZYZXRJBHLCCN-IBGZPJMESA-N 445.309 4.747 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccco1 2325918361 GNZQRRFXYFPXRL-DEOSSOPVSA-N 440.584 4.983 30 10 IJEE CCOc1cccc(C=Nn2c(COc3ccccc3OCC)nnc2SCC)c1 2326823578 FGQJVKYCIIGOLI-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(SCCO)nnc1[C@H](C)c1ccccc1 2330149472 LBRIZCDCFXQJHT-QGZVFWFLSA-N 432.549 4.558 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2cccs2)n1N=Cc1ccc(O)c(O)c1 2330330475 KXWJBXIXXOKBMH-UHFFFAOYSA-N 436.562 4.825 30 10 IJEE COCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2331555243 SAWFWFUXKXBBIO-UHFFFAOYSA-N 444.532 4.534 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCC[C@H](CN(c3cc(Br)cc(F)c3C#N)C1)C2 2358294986 NOROXXICPOKPCA-RBZFPXEDSA-N 438.341 4.734 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1Br 10469602 RXVCSDCBJBRHFU-SFHVURJKSA-N 432.314 4.824 30 10 IJEE C/N=c1\scc(-c2cc(OC)c(OC)c(OC)c2)n1/N=C/c1c(C)cc(C)cc1C 12603056 FLZFZSBLBZEEMH-ZVKOUPCOSA-N 425.554 4.580 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(OC)c(OC)c2)cc1 28052428 JEBWQEVGETWZFD-XDHUDOTRSA-N 446.503 4.967 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCOC)cc1 33522894 SUSWGUXBKPIQFA-QFIPXVFZSA-N 449.503 4.619 30 10 IJEE N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4F)cc3)C2=O)c1 34734290 VWWWOUSUTIBREJ-UHFFFAOYSA-N 428.467 4.782 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)N1C[C@H](C)O[C@@H](C)C1)n2Cc1cc(F)ccc1F 35927886 LEPPJXIWOCLBOI-IRXDYDNUSA-N 440.490 4.782 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccccc1)CO2 41588218 YYXVAOBMRNGXSX-JJFYIABZSA-N 428.444 4.872 30 10 IJEE COc1ccccc1/C=N\N=C1\S/C(=C\c2ccccc2OC)C(=O)N1Cc1ccco1 47138444 QOVCGYYQHOPYSA-QXZAMSPYSA-N 447.516 4.803 30 10 IJEE O=C1/C(=N\Nc2ccc(Br)cc2)c2ccccc2N1CCOc1ccccc1 59166606 OWLPGLASYRUZME-DAFNUICNSA-N 436.309 4.691 30 10 IJEE CCOc1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc(Br)c1OCC 96767083 DWIFXRHBONMVFX-ALCCZGGFSA-N 433.298 4.914 30 10 IJEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2ccc(C(=O)OC)cc2)cc1 100282122 KTRMHLJWNYYQSH-UHFFFAOYSA-N 428.554 4.949 30 10 IJEE CCCCOc1ccc(C(=O)/C=C\Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 103029447 XQUROBLYTWERKU-MSUUIHNZSA-N 430.570 4.705 30 10 IJEE O=C1SC(c2ccccc2)=C/C1=C/NCCN/C=C1\C=C(c2ccccc2)SC1=O 103317288 FGHLAHKYCWIRQI-VBGLAJCLSA-N 432.570 4.562 30 10 IJEE C=CCn1c(=S)[nH]c2cc(C(=O)Nc3nc4c(s3)C[C@@H](CCC)CC4)ccc2c1=O 109823959 AJKAEAPFOWTRJC-ZDUSSCGKSA-N 440.594 4.859 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(C)c2)c1 169930697 ZOJRDIIXAPAGPM-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(C)c2)cc1 169968884 WWICQZAGODRKGP-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC(C)C)cc1 169977981 NWMAJCUMURJQTN-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccnc2)cc1 170006743 HTYCDOMKCVUZTR-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1c(C)[nH]c2ccccc12 170104306 GXPZUEQTHXAFDA-QHCPKHFHSA-N 432.520 4.708 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(OC)cc1 170116190 JXUSLLCFVUYJFO-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2)c1 170118166 RSMHOCWMHLLASX-GYCJOSAFSA-N 441.483 4.802 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170131797 RLMYRDZGRMOEQQ-HSZRJFAPSA-N 445.446 4.639 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)c(C)c1 170160827 AXMHLLNQGOVACE-NRFANRHFSA-N 433.485 4.877 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)c1 170185380 FXUBBWTZNJQLRK-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)c(C)c1 170187648 GZZFHZGXSTTWIZ-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccnc2)cc1 170189698 MBEDCUNQMXQVQH-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccncc2)cc1 170201324 COVRKIPOVBSZOE-UPCLLVRISA-N 440.499 4.750 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)c(OC)c1 170221709 IPKRRYALDZEASA-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170278790 AABYOGNWMMGASM-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)[C@H]3c3ccco3)ccc2O1 170290611 XWRWENNJKQYRCN-QKVFXAPYSA-N 437.398 4.664 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccco2)cc1 170291364 CRIFAYZQORFSKQ-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)c1 170337228 QBOKWLJWCRNOIU-DEOSSOPVSA-N 442.515 4.934 30 10 IJEE CC(C)COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccncc2)c1 170420213 LYWARMSXSGFKDV-DEOSSOPVSA-N 442.515 4.895 30 10 IJEE COc1cc(/C=C\C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1OCC#N 213205572 LFTQQJMOVIFGFM-CLFYSBASSA-N 433.533 4.627 30 10 IJEE C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccc(C(C)C)cc1 254393583 JPEIILQSQXNQTN-UHFFFAOYSA-N 436.519 4.794 30 10 IJEE CS(=O)(=O)c1cccc([C@@H](Nc2cc(C#N)nc3ccccc23)c2ccc(F)c(F)c2)c1 301463750 KJJQTIUBCMIXRC-XMMPIXPASA-N 449.482 4.990 30 10 IJEE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(C#CCO)c(Cl)c1 390663293 QSYJVBMNFIQIII-UHFFFAOYSA-N 446.978 4.506 30 10 IJEE C=CCn1c(SCC(=O)Nc2n[nH]c3cc(F)ccc23)nnc1-c1ccc(Cl)cc1 476788974 NMXGTRSAPYXQNC-UHFFFAOYSA-N 442.907 4.531 30 10 IJEE CC1(C#N)CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 508048282 CGOOUKZYPNXJDO-FQEVSTJZSA-N 443.016 4.836 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccco2)c1OC 526521081 KADJAZQPURUYKJ-FQEVSTJZSA-N 436.851 4.879 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 549641149 JHFRCHCGCVEUEJ-GOSISDBHSA-N 434.613 4.559 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N(CCOC)Cc1scnc1C 568039081 XEFKHJYIIYYSOA-UHFFFAOYSA-N 433.581 4.626 30 10 IJEE C=CCN(Cc1cc(=O)c(OCCC)c[nH]1)S(=O)(=O)c1ccc(CCCCCC)cc1 586179474 CCKHUCLZNXKJAC-UHFFFAOYSA-N 446.613 4.663 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 679647294 WMSJYTIAVOQFIS-OAQYLSRUSA-N 431.540 4.556 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(Br)ccc1I 692276609 IRMOONRVUKRPQB-NHYWBVRUSA-N 448.142 4.918 30 10 IJEE C=C(COCCC)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705410243 RJKYVVVZLMMFTA-ACIOBRDBSA-N 434.621 4.836 30 10 IJEE CCN(Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1)C(C)C 726052787 AJNHGZAPXOLVHI-MRXNPFEDSA-N 439.581 4.523 30 10 IJEE C#CCCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 758648962 KLWNENNZHPDHRL-FQEVSTJZSA-N 441.503 4.729 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(OCc4ccccc4)cc3)CCO2)c1 762311698 DWOAYNMCZPTBAX-PFBJBMPXSA-N 438.527 4.841 30 10 IJEE Cn1ncc(Br)c1CNc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 787267768 PBKWGLOUVXRULT-UHFFFAOYSA-N 431.721 4.899 30 10 IJEE C#C[C@@H](NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(Cl)cc1 811910675 HOSBLPOJZQXLRO-HSZRJFAPSA-N 448.954 4.633 30 10 IJEE Clc1ccc(-c2nnc(CSc3n[nH]c(NN=C/C=C\c4ccccc4)n3)o2)cc1 1084621843 XUNGEXNRBUSQSD-DLUNHMPTSA-N 437.916 4.912 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C 1124867983 ABFRAWWUQBZMQU-QHCPKHFHSA-N 435.568 4.884 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 1125088465 XIIIPQWQBMVIQV-UHFFFAOYSA-N 440.565 4.852 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1125668076 AJZGLMIQJCBKOI-NTKDMRAZSA-N 430.545 4.784 30 10 IJEE COc1ccc(N(CCc2ccccc2)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1126254809 BZUXJOIQZMGDFK-JOCHJYFZSA-N 443.522 4.808 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)nnc1-c1ccco1 1129311543 VBKWJFURSQCTHS-GOSISDBHSA-N 444.507 4.678 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 1183977900 QVCVLHPJVLFCGL-GHTZIAJQSA-N 447.000 4.683 30 10 IJEE N#Cc1ccc(N2CCC(CNC(=O)OCc3ccccc3)CC2)c(F)c1Br 1186274695 IVRAIHIJQMAIMW-UHFFFAOYSA-N 446.320 4.603 30 10 IJEE Cc1ccc(N2CCC[C@@H](NCc3cccc(OCc4ccccc4C#N)c3)C2=O)cc1 1200802320 FYUPCGGGEXRBIJ-AREMUKBSSA-N 425.532 4.731 30 10 IJEE N#CCCn1cc(CNCc2ccc(COc3ccc(F)cc3)cc2)c(-c2ccncc2)n1 1202954726 AHAMFIRXOIMSMU-UHFFFAOYSA-N 441.510 4.867 30 10 IJEE COc1cc(NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(F)cc1C#N 1207879397 BZFKSKKDPHZNIB-UHFFFAOYSA-N 446.526 4.872 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)CC2)cc1 1215038751 AQAPKULPMGPDOJ-UHFFFAOYSA-N 447.926 4.540 30 10 IJEE C#C[C@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)c1ccc(Br)cc1 1230498828 LHTPHHGBRGRHCU-HNNXBMFYSA-N 443.675 4.878 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccc(Br)cc1 1230499459 WYZGEGVGOCZDSV-YLJYHZDGSA-N 437.341 4.937 30 10 IJEE C/C(=C/C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccc(C(F)(F)F)cc1 1270685873 LSURUQSKYDYYOO-QINSGFPZSA-N 433.861 4.983 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C[C@@H](C)CC 1286347046 GMWHGHLCHHUYQM-PMACEKPBSA-N 431.625 4.678 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1286355013 DIXLDWQJKXOVMH-RUZDIDTESA-N 433.644 4.569 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1CCC(OC)CC1 1286362780 IATGNYUWQHHRRO-UHFFFAOYSA-N 435.597 4.652 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CCOCC)CCC1 1286365876 LWBGVTVUKFLUDI-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC(C)(C)SC 1286514904 BVZKXRYTRQRZOP-HXUWFJFHSA-N 433.419 4.841 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C)=C(C)C1 1286531032 GREKAOGCZDLJNL-UHFFFAOYSA-N 439.361 4.790 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccc(C)o1 1286543322 RESGVYKTAVEXMB-UHFFFAOYSA-N 445.361 4.920 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1286602046 WAZXXMYRAZDRKU-HSZRJFAPSA-N 437.632 4.834 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)Cc1cccc(Br)c1 1286608640 SVTAVGNRFPNOAP-UHFFFAOYSA-N 435.410 4.858 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCCCC2=O)CC1 1286641415 YLXVZANSULACAT-UHFFFAOYSA-N 435.616 4.802 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286669246 YZVVIMJQABKHJV-FPOVZHCZSA-N 439.604 4.699 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1286677714 IGBKFEWDBVZBMK-UDIDDNNKSA-N 438.616 4.987 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)C1 1286692743 NVORTBLQKCTXAH-CYBMUJFWSA-N 425.371 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCN(CCC)C(=O)OC(C)(C)C 1286717895 OZTQJUDRBYOKNQ-UHFFFAOYSA-N 433.984 4.868 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCCCC1 1286762743 LOYBPUUDLWUQLZ-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(OCc4ccccc4)ccc3[N+](=O)[O-])cc2n1 1289217727 ISQAFMQWMWKDNV-UHFFFAOYSA-N 428.448 4.962 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC=CC[C@H]2C)c1 1289698318 SHEFQHLHXAODOK-VGOFRKELSA-N 444.984 4.806 30 10 IJEE CCCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1294019456 HBNODQRUHDNUFO-LJQANCHMSA-N 431.382 4.746 30 10 IJEE C=CCC1(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2O)CCCCC1 1297943112 JTMOAPNDWHXNCT-UHFFFAOYSA-N 438.524 4.671 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1300348029 HLWGJPYQDGLYGM-BEFAXECRSA-N 432.446 4.651 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC2(CC2)C1 1300361076 ASQIAANSMUSTBK-UHFFFAOYSA-N 441.620 4.577 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1c(C)nn(C)c1C 1301176696 IOXIWGFDNMRNKX-UHFFFAOYSA-N 442.995 4.950 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1301189691 CXJVHYCIIKMTLU-RUZDIDTESA-N 440.595 4.951 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CC(N)=O)CC1 1301201950 BSJNCQRNQWGKDK-UHFFFAOYSA-N 444.004 4.871 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)c(OC)c1 1301238139 ZPNRUFPVUNOSAF-DENIHFKCSA-N 442.604 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(OC)cc1 1301278201 HJFCFRGDFXFWFP-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1301316231 IQBREVCKUBAGIX-LSDHHAIUSA-N 449.368 4.674 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCC(F)(F)C1 1301422225 CSFYSKYLSGQTAG-KRWDZBQOSA-N 429.515 4.511 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cncc(Br)c2C)cc1C 1304172717 FILRMSZLBKOZQU-UHFFFAOYSA-N 438.329 4.799 30 10 IJEE Cc1cscc1Cn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1 1304637404 AQRKRPHIIFKSRJ-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1305438422 FZXDDSCMMDVBFD-YKSBVNFPSA-N 434.632 4.832 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO)c1ccccc1 1306502189 YGSQZBDOCAQCSW-INIZCTEOSA-N 440.341 4.603 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(OCC(F)F)n2)cc1OC 1308356408 DOXJYVWZZCNPIW-UHFFFAOYSA-N 429.261 4.674 30 10 IJEE C=CCC[C@H](NS(=O)(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(C(F)(F)F)cc1 1309334101 IJFKASAWRKVWSA-HRCADAONSA-N 445.425 4.742 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1310001675 IEFDUZJSAGOGEX-NRFANRHFSA-N 429.586 4.983 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)C1 1310179946 WYWZHSRARMABHO-KRWDZBQOSA-N 436.512 4.615 30 10 IJEE C#CCN(C(=O)[C@H](C)CSC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1353636008 VEQVFWGLLVWTLD-BXUZGUMPSA-N 436.293 4.624 30 10 IJEE CC(C)(C)OC(=O)COc1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)c1 1356209218 BZPLPBICUFDIGT-UHFFFAOYSA-N 445.475 4.718 30 10 IJEE C#CC[C@]1(C(=O)O[C@@H](C)c2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1358284289 YKEHZLQORSAWKY-YCRPNKLZSA-N 436.346 4.846 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(Cl)nc1 1358897646 CPCYPOLMDVWZCK-KRWDZBQOSA-N 437.975 4.709 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1358985240 TVJFFIQYGOULLQ-CWBXHPNXSA-N 446.595 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCc1ccc(OCC)c(OCC)c1 1359071370 NUKNJTCUDLTRLI-AREMUKBSSA-N 438.616 4.899 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCN(CC)CC)CC1 1359177592 UEAWNBBSLJZBKB-UHFFFAOYSA-N 434.588 4.734 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CO)CC1 1359183131 DIJCNFNFUTYFJK-KRWDZBQOSA-N 432.996 4.883 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C 1359202221 NCBIFNYEBCYZBO-RTBURBONSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC(F)C1 1359209553 QSOAFUSXDOUWRH-UHFFFAOYSA-N 425.321 4.997 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCSC[C@@H]1C)C(C)C 1359265316 CUDBRQGPQQJVDY-UGKGYDQZSA-N 443.636 4.725 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(F)(F)F)C1 1359324999 WCKNCTRBTYIFJS-QGZVFWFLSA-N 447.505 4.720 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1359755798 GTHBVBFYISKQPA-UNMCSNQZSA-N 435.597 4.618 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)(F)F 1359761089 CPROXLXVKLZSQC-RBUKOAKNSA-N 435.494 4.657 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccc2ccccc2c1 1435791916 FVWPHLXZPZZTEA-JOCHJYFZSA-N 433.483 4.846 30 10 IJEE C=CCC1(NC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(S)nc3c2)CCCC1 1453477448 SSYZSLGVRRPOPH-UHFFFAOYSA-N 433.577 4.547 30 10 IJEE C#CCN(CCCOCCc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1459520962 YFMTWSAGKYTUSK-QFIPXVFZSA-N 428.370 4.857 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1Cc1ccc(C#N)cc1OC(F)F 1460273037 FIDXPRHXPBMKFC-INIZCTEOSA-N 435.515 4.771 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC 1461204517 PSNOWLPGPCIAJM-PXNSSMCTSA-N 429.866 4.538 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 1465781041 FHEYASCSRZXKNK-JLTOFOAXSA-N 436.405 4.850 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 1468849107 WMKKCWRGPTZWFK-SFHVURJKSA-N 425.960 4.588 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(Br)cc1 1469270802 HRIJJENDHGQUCP-HRAATJIYSA-N 426.358 4.784 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1c(F)cc(I)cc1F 1476742165 MSQXLRUFNQKBMK-UHFFFAOYSA-N 442.247 4.832 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4c(Br)cc(C)cc4C3)cc2n1 1477121444 PLVSAPWVQGXQGC-UHFFFAOYSA-N 425.330 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CC[C@H](C)C1 1507520688 FUPQIOQGUJTFNQ-HRCADAONSA-N 431.378 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)c(OC)c1 1507522071 TVIATOLYFUYXJQ-FUHWJXTLSA-N 434.609 4.955 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1c(C)noc1C 1507557657 MVVADWHGUHEWKP-UHFFFAOYSA-N 442.361 4.752 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C2CCC1(C)CC2 1507570752 IVGUERWIARIROM-UHFFFAOYSA-N 443.389 4.944 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCC[C@@H](C)C1 1507762836 ZERBNYMPQXMBQL-UZUQRXQVSA-N 446.426 4.976 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1507806058 OBENYNDMBGIRLB-JUXOCIIHSA-N 439.560 4.850 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCCSC2)CC1 1507878749 OVLVMMDFPGQCIU-GOSISDBHSA-N 428.602 4.652 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@](F)(C#N)C1 1507911473 HKASBICTEWEHHW-FQEVSTJZSA-N 432.341 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 1507917788 XFELXWQKJBFMML-UHFFFAOYSA-N 436.579 4.728 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1 1507924351 LVUJJXBLJHJYQU-DEOSSOPVSA-N 449.643 4.990 30 10 IJEE C=CC[C@@H](Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1C(C)(C)C)c1ccccc1 1507927777 DBCFKHUCXSQTJG-SFHVURJKSA-N 426.996 4.959 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1507928597 KTYWRAXGZVEGDB-POGFHVCPSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1507932609 VJGFDRLEAHNGRA-LJQANCHMSA-N 425.577 4.747 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C)[C@H](OC)C1 1507958601 GLMZWKWCHDZDIC-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507985670 AMRRAOSZPJHLPL-NHCUHLMSSA-N 439.648 4.798 30 10 IJEE C=CCSCCn1c(N(C)Cc2nccs2)nnc1C1(c2ccccc2)CCC1 1508166965 DHMPPJINNMMAQF-UHFFFAOYSA-N 425.627 4.760 30 10 IJEE CCOC1CC(CCn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@@H](C)CC#N)C1 1516360179 CTUHMIGYGNYIJH-HDYDNRTBSA-N 432.572 4.745 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(I)c(C)cc2C)cc1 1522393139 RNUHUKROJARIAA-UHFFFAOYSA-N 436.314 4.990 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)CCCc3nc(O)c4ccccc4n3)c2C#N)C1 1523677947 AWOPEWHUKBFUPH-OAHLLOKOSA-N 434.565 4.991 30 10 IJEE C#C[C@H](NC(=O)c1cc(OC)ccc1OCC(F)(F)C(F)F)c1ccc(Cl)cc1F 1525069722 GQBAUWZHSOIUDQ-INIZCTEOSA-N 447.787 4.871 30 10 IJEE CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 1528140041 DWHKHQRPWYJRQS-SANMLTNESA-N 439.559 4.874 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1536282926 HKJYDLRMTJBPTD-JOCHJYFZSA-N 426.582 4.607 30 10 IJEE COC(=O)c1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c2ncccc2c1 1538322182 HOQHISBEDZOFOJ-UHFFFAOYSA-N 437.455 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCc1sccc1C 1538971534 BWHDONJUVQDBGK-HNNXBMFYSA-N 429.387 4.778 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ccc(C)cc1 1539338257 SUDSFHQHRGYKHG-QPTUXGOLSA-N 432.612 4.772 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(C)(C)C2CC2)CC1 1539438173 QKTJERKEZPPPAT-UHFFFAOYSA-N 433.644 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCC(C)CC1 1539919325 ZVAWONPGKAJARC-UHFFFAOYSA-N 448.615 4.809 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1540077951 VQDRNUUXQBTDCA-KDURUIRLSA-N 431.575 4.527 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCSC1(C)C 1540180449 OFNYLGYVCWUJKH-FCHUYYIVSA-N 440.657 4.939 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCC(C(F)(F)F)CC2)C1 1540890837 KUPOSKLUNFATRW-WZOJCFFYSA-N 442.526 4.670 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 1542713880 BNGPBWBCEDVNSF-HXUWFJFHSA-N 443.519 4.879 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1546626421 ANEQTBXAFDMDAG-PZJWPPBQSA-N 444.583 4.726 30 10 IJEE CCCc1c(NC(=O)CCOc2ccc(F)c(Cl)c2)cnn1-c1cccc(C#N)c1 1556254552 AUPCLWDVYBPIPZ-UHFFFAOYSA-N 426.879 4.897 30 10 IJEE Cc1cc2c(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3Cl)n[nH]c2cc1C#N 1557351372 AHUDNXHAKUBSOL-UHFFFAOYSA-N 425.876 4.996 30 10 IJEE C=CCn1c(S[C@H](Cc2ccccc2)C(=O)NC)nnc1-c1ccc(C(C)(C)C)cc1 1559321866 LQBZZKJSIVFJTB-OAQYLSRUSA-N 434.609 4.878 30 10 IJEE Cc1sc(CNS(=O)(=O)c2cccc(Cl)c2C#N)nc1-c1ccc(Cl)cc1 1561164442 BFKYNTQCLGHMPJ-UHFFFAOYSA-N 438.361 4.776 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(Cl)c1 1563327744 WYXSOZWIFLELSU-IPELMVKDSA-N 431.964 4.867 30 10 IJEE C#C[C@H](NC(=O)NCCOc1c(Cl)cc(Br)cc1Cl)c1ccccc1 1564485672 KXEPXJXUIROMLX-INIZCTEOSA-N 442.140 4.808 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(F)c(C)c1)[C@H]1CCCO1 1564603948 VMNADRMTOPORMM-NHCUHLMSSA-N 430.907 4.902 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1Cl 1564675105 KQEHTENIFAQQSY-KKXDTOCCSA-N 427.770 4.930 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NC3(Cc4ccc(Cl)cc4)CCC3)CC2)c1 1565005014 IAIMAOSTZORCFD-UHFFFAOYSA-N 436.987 4.641 30 10 IJEE C=CC[C@@]1(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)CCCN1C(=O)OC(C)(C)C 1569060490 YAIHMATVFQYLQZ-QFIPXVFZSA-N 438.490 4.977 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1583852827 HUTZYYCBOGKGJN-JOCHJYFZSA-N 449.551 4.657 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 1586809126 WFEIMDPPRWZPKD-TXEJJXNPSA-N 431.245 4.916 30 10 IJEE C#CC[C@H](COC)NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1587392978 YBRFNINDSNOFHR-CYBMUJFWSA-N 436.364 4.529 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCSC1(C)C 1588099193 JETWATOWXLLLEV-HKUYNNGSSA-N 438.666 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1588198447 TZCRZZZWQRJYEF-DHIUTWEWSA-N 445.655 4.727 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(CCC)Cc1ccc(F)cc1F 1589366432 DBRRZEKRBHHLFR-UHFFFAOYSA-N 448.315 4.944 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N(CC(C)C)C(C)C 1589434387 FPPLNMVSCUDOLB-UHFFFAOYSA-N 435.410 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCOC)CC(C)C 1589505785 OKRMOXNZOCWXOE-CTNGQTDRSA-N 432.996 4.689 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCCC)CC1)c1ccccc1 1594543926 FMKUAAQUYSHWHQ-XZOQPEGZSA-N 446.599 4.881 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 1594552039 FJRAATVMBOAXJC-QHCPKHFHSA-N 436.600 4.760 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1594650934 DDHTXIJSVMOJFU-YJBOKZPZSA-N 442.457 4.509 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCCC1(C)C 1595178816 PKRHUYDDEABJDX-JOCHJYFZSA-N 445.405 4.827 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CC(C)(C)C1 1596805953 ALURDXQGPDTRPL-ZDUSSCGKSA-N 434.357 4.879 30 10 IJEE C#CCC1(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)CCCCC1 1597388219 WMYZUFLUOUDAQC-FQEVSTJZSA-N 427.589 4.943 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1 1602986469 FSMWYSXHUZPERO-JOCHJYFZSA-N 448.571 4.793 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1ccc(C(F)(F)F)c(I)c1)OCC 1617170700 HBJOHBHCQVLRJK-ZDUSSCGKSA-N 427.204 4.620 30 10 IJEE C=CCCn1cc(C(=O)N(C)Cc2c(OCc3ccccc3)ccc3ccccc23)nn1 1617858309 YIGLXUQOPHOIKC-UHFFFAOYSA-N 426.520 4.859 30 10 IJEE C=CCC1(O)CCN(CC(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)CC1 1620594199 KFHQYNWZPHDASR-UHFFFAOYSA-N 435.593 4.541 30 10 IJEE C=CCCCN(CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 1622796220 BWFRHFXLYJGCOC-ROUUACIJSA-N 431.577 4.927 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 1623169077 KBMBDKFGGQYRRC-XMMPIXPASA-N 447.551 4.633 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1ccn(-c2ccccc2)n1 1625539108 RAAGYLSWBPQGPE-UHFFFAOYSA-N 441.329 4.564 30 10 IJEE C=CC1(CC(=O)N[C@H](c2nc3ccccc3[nH]2)[C@H](C)CC)CN(C(=O)OC(C)(C)C)C1 1626054208 OGMUAKJWZGLTBP-UZLBHIALSA-N 426.561 4.580 30 10 IJEE C#C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1628400533 IJRRKDSRMQCZQP-UWJYYQICSA-N 428.001 4.556 30 10 IJEE C=CCC1(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)CCCC1 1636474686 SBVVLZYGXYHEHU-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)CF 1636730491 GXSBHCQNMPMEBR-BTYIYWSLSA-N 430.907 4.511 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccc(Cl)cc1F 1640467656 ROJBQIUSLWPHMZ-MJGOQNOKSA-N 428.891 4.809 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(Oc3cccc(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1641169304 DEQWXLAAUDZKGB-XMMPIXPASA-N 432.536 4.541 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)cc(F)c1N 1642399846 AWFINOABLPRLRJ-UHFFFAOYSA-N 444.098 4.750 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(CCCCCCCNC(=O)OC(C)(C)C)cnc21 1651708633 KKOHJRFGBBXJFD-UHFFFAOYSA-N 438.619 4.650 30 10 IJEE C=C[C@H](SC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cc(C)cc(C)c1)C(=O)OC 1652418221 XMDGTEUYAIJOIB-UKQGIEBLSA-N 436.533 4.517 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCCOc1ccc(C(F)(F)F)cc1 1652545287 NIFJRGBUBXSFDT-UHFFFAOYSA-N 440.535 4.682 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 1652554611 GDPJWHIZZXVLOV-DHIUTWEWSA-N 433.939 4.988 30 10 IJEE C=CCn1c(SCC(=O)COc2ccccc2)nc2sc3c(c2c1=O)CCCCC3 1655978998 HYCLNGYONPZXRX-UHFFFAOYSA-N 440.590 4.653 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3 1656086384 SBKILCQXKMQKLY-LJQANCHMSA-N 426.607 4.972 30 10 IJEE C=CC[C@H](CO)CNCc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 1657692414 LEOQSAXTRDYCIN-FQEVSTJZSA-N 427.548 4.975 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)C1CCOCC1 1662729310 BHIUWXXQGXKDTQ-HXUWFJFHSA-N 425.941 4.913 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(OC)c2)cc1 1665214960 KYHIRKLABJKVEU-JOCHJYFZSA-N 435.524 4.502 30 10 IJEE C#CC1(O)CN(Cc2ccc(Br)cc2Oc2cc(Cl)cc(Cl)c2)C1 1665842849 ZKVAOBUYFHLGDQ-UHFFFAOYSA-N 427.125 4.728 30 10 IJEE C=C(C)CN(CC)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1666132459 RNENSZBIBYLCQP-XZOQPEGZSA-N 433.017 4.536 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@@H](CC)c2ccccc2)cc1 1667322380 RRUFDJBNLHGECJ-GOTSBHOMSA-N 441.597 4.683 30 10 IJEE Cc1cccc(C2=CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)c1C 1670577342 ICOBXYVVQSPTLY-UHFFFAOYSA-N 430.552 4.759 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(-n2ccnc2)cc1 1672209572 GGQOUIUPMBOYGD-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)c1ccc(F)cc1 1674014601 DBWMPJHREKBVGQ-AVRDEDQJSA-N 438.547 4.985 30 10 IJEE C#CCC[C@@H](O)CNC(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1678716370 PQWSDOLNKMOGRT-QGZVFWFLSA-N 433.371 4.637 30 10 IJEE C#CCC1(NC(=O)N[C@H](c2ccc(OC)cc2)c2ccc(OC)cc2OC)CCCCC1 1679155940 QGDDFFMBGNYWAW-XMMPIXPASA-N 436.552 4.827 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1OCCCN(C)C1CCCC1)c1ccc(F)cc1 1679883962 KKCCYKHSEZRLBH-XMMPIXPASA-N 437.559 4.643 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)c1 1682197766 YNAVHCLQEQBRGC-OAQYLSRUSA-N 440.385 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCCN1CCCC 1689951195 OEMKIEZFCBMTAT-PZJWPPBQSA-N 439.673 4.855 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CCC 1690241590 USWSHIYVYUMQNL-AUSIDOKSSA-N 436.556 4.945 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CCC 1690241592 USWSHIYVYUMQNL-WMZHIEFXSA-N 436.556 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CC1CCN(Cc2cccs2)CC1 1690272563 AMHXWJMPHADNKV-OAQYLSRUSA-N 429.634 4.506 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1690490341 WXWGIMCFTPKUBK-LJQANCHMSA-N 431.378 4.537 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CCCC2)C1 1690497233 KSISHSDXQSIQCQ-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1CCc1nc(C)c(C)s1)C1CC1 1690549852 KMLMVYMVVGYHCV-UHFFFAOYSA-N 437.613 4.945 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1c(C)nn(Cc2ccccc2)c1C 1690574036 MQQNUZOEZWRLOK-UHFFFAOYSA-N 432.597 4.751 30 10 IJEE CCC[C@@H]1C[C@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1695491949 CJINVQVMSOMTGN-LFALDJFMSA-N 442.608 4.841 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1(COC)CCC1 1705505800 OBCSNTWVKACTTR-QGZVFWFLSA-N 433.021 4.889 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CCOCC1 1705510131 NVGPIDRZDZBCCM-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1cnn(CC(C)C)c1C 1705671052 UDOMKJJADXJXHB-XMMPIXPASA-N 436.991 4.800 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)CCOc1ccccc1Cl 1705693629 IYQFUQBMQXWNCU-LQWHRVPQSA-N 432.996 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705718823 ZJLOWHBHUQXUQH-IBGZPJMESA-N 445.583 4.714 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1705787102 IAJNYUCDZHKKET-ROUUACIJSA-N 432.634 4.995 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCCC2)CC1 1705801972 XORZUPJOXOYBPI-UHFFFAOYSA-N 445.558 4.967 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2cccc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 1705824224 JSAPYYDFBLZENL-RDGATRHJSA-N 440.588 4.635 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705831079 FURUKBMXPLDBCN-OAQYLSRUSA-N 430.543 4.642 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705844340 AMJVCRJCSCKPDN-LJQANCHMSA-N 445.995 4.544 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCN1CC)C1CC1 1705849241 HJRXGRBZYYPQSS-ICSRJNTNSA-N 427.568 4.586 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1705943585 FNLILEWMVWEMFE-GOSISDBHSA-N 440.642 4.717 30 10 IJEE CCOC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)CCCC1 1710492759 GGAPHYBZNSMXSU-ZWKOTPCHSA-N 429.540 4.645 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722308183 HNJFQBKDKDFHMP-RPHTVSPISA-N 442.991 4.736 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCCN1CC 1722346758 AHZSPMXYZDHPKZ-FQEVSTJZSA-N 437.588 4.757 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccccc1C 1722464785 RMSCNJQBTSMCCV-FGZHOGPDSA-N 440.657 4.898 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1scnc1C 1722468010 YTJIWLMCXHFFFB-UZUQRXQVSA-N 439.560 4.557 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1c(C)noc1C 1722479446 FQXZBQBDMKDADX-UHFFFAOYSA-N 436.741 4.748 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)CC1 1722491574 ATFJXULGFBCDSN-ZCVJKFOLSA-N 445.007 4.975 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722519176 NFRKKGQVBQBYMG-IRFCIJBXSA-N 444.023 4.937 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](OC)C1 1722520892 QQUNMLTZZAYUHU-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722536305 MREFIJNFOHHGMA-NRFANRHFSA-N 444.645 4.723 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 1722593785 AMRPBMJPLCAWEZ-QUCCMNQESA-N 446.473 4.974 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(OCC)CCCC1)C1CC1 1722644353 XKYVSQQOEITFSJ-UHFFFAOYSA-N 437.588 4.651 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1)OC 1726858392 AULMICUABDMQMP-GHTZIAJQSA-N 427.618 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CCN(CC)CC1 1740538751 JWJUHLFFPRJKNS-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1sc(C)nc1C 1740557748 OKCKVMHGPPVAPO-KRWDZBQOSA-N 437.613 4.868 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1740572860 ZNDHQHBAUCBCQB-AREMUKBSSA-N 436.600 4.790 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1740584402 GNQKDEYUAPCBNX-XMMPIXPASA-N 447.627 4.605 30 10 IJEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740597282 MLSAZWFAFHRXEU-LJQANCHMSA-N 444.526 4.541 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)s1 1740751507 LALZOAUBPHJOHM-RHSMWYFYSA-N 439.423 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1740771315 AHDIHOYMAGYMRN-JTHBVZDNSA-N 432.616 4.976 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1740789822 QWJIMODOWIDUOH-RUYXUALKSA-N 445.405 4.843 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740825469 WBKYOUXBLXTNQG-RNHFSVANSA-N 440.588 4.524 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN(C)CC(F)(F)F)CC1 1740836965 UWXZALIMEBJACU-UHFFFAOYSA-N 441.929 4.885 30 10 IJEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(Cc1cccc(F)c1)C(C)C 1740875293 ZKLKPLQCRJAYQI-UHFFFAOYSA-N 425.508 4.526 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1740937856 QPMXKWAAZVQDPQ-UHFFFAOYSA-N 447.583 4.514 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CC[C@H](C)C2)cc1C 1742247004 HLLQURHWPCRYDI-LAUBAEHRSA-N 434.588 4.714 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOC2CCCCCC2)cc1 1748636848 HFROZNIROZHORF-RUZDIDTESA-N 437.588 4.823 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOC2(CCCC2)C1 1748759624 LOCRGSDLMWSPND-UHFFFAOYSA-N 436.600 4.852 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(COC)CCCCC1 1748917739 KPHABOXFVUEQHO-UHFFFAOYSA-N 430.980 4.664 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](F)COC 1749054688 XCMKPZBGOPDURL-HFJQGTKSSA-N 448.970 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@@H](SC)C1 1749125837 YRQWHAMRDYEWJH-FCEUIQTBSA-N 442.629 4.657 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CCCC1 1749154433 SVUQEDAAMPPHHH-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(C)C)C1 1749269124 NQIMBIFCYJQFPW-GOSISDBHSA-N 438.016 4.627 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749370319 GVLREUNVGMHKEF-JOCHJYFZSA-N 432.616 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](CC)C1 1749375969 MVTCHPBACVUFDV-SFHVURJKSA-N 430.618 4.797 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](CC)C1 1749391688 ZMKZCGMGWXROOH-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C)(COC)CC2)cc1 1749683799 GTLZLQUDMYEANT-UHFFFAOYSA-N 436.556 4.713 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(F)(F)F)cc2)C1 1749718427 VIYADGWBSVVASG-FQEVSTJZSA-N 434.506 4.859 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1751944006 FDWYWAGZXAWAON-INIZCTEOSA-N 448.571 4.619 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1760141964 MWVFMENIAVEENV-ROUUACIJSA-N 445.405 4.905 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1Cc1nc(C(F)(F)F)cs1 1760243394 IMLSTCRCUPYERL-UHFFFAOYSA-N 449.477 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1760298413 HHEMVSMMWZCZOO-BBVWWWHTSA-N 436.600 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1760298415 HHEMVSMMWZCZOO-PMWMKWCKSA-N 436.600 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCSC1(C)C 1760299125 IFSTYXWMJSFBES-IPRDPGLQSA-N 430.662 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCC[C@H](C)C1 1760340723 LSNKWPFWAGQPIL-FQEVSTJZSA-N 425.621 4.608 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760430051 XYOBNXQJTRZPDN-RBUKOAKNSA-N 432.012 4.786 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCc1nc(C)c(C)s1 1760486144 DZGXUCBZYLBOEV-UHFFFAOYSA-N 438.626 4.854 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1 1760498593 XPTFTNXBQMLVAU-HSZRJFAPSA-N 426.948 4.588 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@@H](C)C1 1760499493 ZSHWUSIHDIJQAH-GMAHTHKFSA-N 433.600 4.724 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)Cc1cccc(Br)c1 1760562714 SYFHIYDBGBYUQM-UHFFFAOYSA-N 444.402 4.658 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)OC 1763436564 GFKCFLXACDSPEU-FIKGOQFSSA-N 445.995 4.873 30 10 IJEE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729565 USVRWUPLRSMXOJ-UHFFFAOYSA-N 440.352 4.624 30 10 IJEE COC(=O)c1ccc(Cl)c(NC(=O)C(=O)/C=C/c2cccc(OCc3ccccc3)c2)c1 1860729274 CISBTUWQFJFVSN-JLHYYAGUSA-N 449.890 4.927 30 10 IJEE CCOc1ccc(CCNC(=O)C(=O)/C=C/c2cccc(Cl)c2Cl)cc1OCC 1860735351 PJYRKNGNLDFQSX-MDZDMXLPSA-N 436.335 4.732 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 1860736839 GAUUBPRNVBFJEA-KUDYKYOGSA-N 443.584 4.520 30 10 IJEE CCCCCCCCCCNC(=O)CNC(=O)CCc1ccc(Br)cc1 1861102458 BMRSUOLXJBSRJJ-UHFFFAOYSA-N 425.411 4.755 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1 1862444617 CESHHQSNNRWWTQ-QFIPXVFZSA-N 449.890 4.838 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862536421 XVRCZFXXSRRWNS-XMMPIXPASA-N 443.499 4.747 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2C)cc1 1862554704 JEFGEULUMIUJDT-DEOSSOPVSA-N 426.516 4.707 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 1862650038 MLJBJWLZBKCQNH-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 1862746398 FRNXEECKQQTARS-NRFANRHFSA-N 436.464 4.602 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862777170 UXCBAMQLWHMBAE-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862944840 INXLTWAXMJBOAG-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2Cl)C(=O)N(c2ccccc2C#N)C1=O 1863065317 IVBXAEAHNYREJK-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863092599 KXXNQFHNWVJADM-UHFFFAOYSA-N 439.446 4.605 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2ccc(C)c(C)c2)C1=O 1863258761 DCXZIKSIDBMSGL-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2ccccc2OC)C1=O 1863430381 CWEHJBXZQGARAS-UHFFFAOYSA-N 426.472 4.866 30 10 IJEE Cc1cccc(C)c1OCC(=O)Nc1c(Br)cc(C#N)cc1Br 1866083488 NJHXQJWQDIRTGP-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE CC[C@@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867013102 ILGIIEDJNJOGMK-JYFHCDHNSA-N 433.552 4.764 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870410867 IZCSHWDZFAFZMO-OYRHEFFESA-N 444.591 4.994 30 10 IJEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871011622 YCEFMBLYMYMCKG-UHFFFAOYSA-N 449.429 4.729 30 10 IJEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871251671 QKWZBOFZRZASLK-UHFFFAOYSA-N 437.927 4.983 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1871764694 NQZPJEVULWGWAP-DEOSSOPVSA-N 434.561 4.942 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 1871812541 UBBHIEWKEZQGIT-MRXNPFEDSA-N 446.516 4.751 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1871895852 DOUOWLJNBRLKBT-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871912806 OZKOWITWRKAJOE-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871924742 NBCNERNGBXJSLV-WMZHIEFXSA-N 444.597 4.706 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872081176 ZERDNGUWEXQCPR-JOCHJYFZSA-N 432.561 4.618 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCC)cc2)=C(c2cccc(Br)c2)C1=O 1873228459 QLIWCGZBBRURQS-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@@H](C)C1)n2Cc1ccccc1 1873554853 AJABZVKNPLMCLI-OYRHEFFESA-N 443.595 4.776 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc(NC(C)=O)c3)c(=O)oc2c1 1873915680 FLHORRMEGDRCAP-UHFFFAOYSA-N 434.492 4.586 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(F)cc1F 1874222665 XMUOLEKNVYDMMI-AFUMVMLFSA-N 446.523 4.743 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(OC)cc2OC)cc1 1874257955 WRRKCTYDIJKQNR-BUVRLJJBSA-N 440.569 4.821 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)cc1 1874303962 ZZULNNFMHHMELX-JVWAILMASA-N 447.539 4.976 30 10 IJEE COc1ccc(CCc2nnc(SC)n2/N=C/c2cc(Br)ccc2F)cc1 1874304861 UNGWHAUSJDZZIP-WSDLNYQXSA-N 449.349 4.578 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874367168 OZZWKSVWBKFCIC-FSJBWODESA-N 426.929 4.920 30 10 IJEE CCOc1c(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cccc1OC 1874446205 VOTSBBMZXCAWEK-FBTHGLLTSA-N 438.553 4.711 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(F)cc2)cc1 1874454814 WCMYNHHCXPCRIZ-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)c1 1874492684 ZBIAMTRIXBEUBO-KWXFCVSUSA-N 435.597 4.637 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)c(OC)c1 1875177479 AFTOPTBXWGAVOW-WEVVVXLNSA-N 433.460 4.531 30 10 IJEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)CC2)cc1 1891679148 MOZXFLYJQRCQMU-UHFFFAOYSA-N 445.755 4.751 30 10 IJEE C=CCC1(NC[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924542203 RAIQBCPGULXVPA-OALUTQOASA-N 437.625 4.567 30 10 IJEE Cc1cc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1C#N 1951665565 RXVVAFZBAJGVOX-HSZRJFAPSA-N 426.472 4.574 30 10 IJEE N#Cc1cc(Br)ccc1CN1CCCN(Cc2ccccc2)CC(F)(F)C1 1966536118 FBKHFAOAECWKNW-UHFFFAOYSA-N 434.328 4.664 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1C#N 1985180979 QYFQSWMOIRAKPL-WBYKHBECSA-N 445.563 4.748 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2cc(F)cc(C(F)(F)F)c2)c1I 2080860079 CUFLMOVCCOJBBA-UHFFFAOYSA-N 438.084 4.868 30 10 IJEE Cc1[nH]c(=Nc2cc(Br)c(Br)c(Br)c2)ccc1C#N 2095445142 COINBGGHYAKDLF-UHFFFAOYSA-N 445.940 4.715 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)c(C#N)cc2F)CC1(C)C 2118196592 JUQCKRCTBOJEEY-INIZCTEOSA-N 426.330 4.589 30 10 IJEE Cc1csc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)c1Br 2157010581 HSHOTUMGLBRTJB-UHFFFAOYSA-N 440.143 4.510 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC[C@@H](CC#N)C2)cc1NC(=O)OC(C)(C)C 2181048100 QVVFHBUPBDDXTD-AWEZNQCLSA-N 436.350 4.870 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(Nc2cc(Br)c(C#N)cc2F)C1 2182455120 QCBJJXWPIXOXOT-RBUKOAKNSA-N 442.304 4.753 30 10 IJEE C#CC1(Oc2ncc(C(F)(F)F)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2241000437 HURLYIZILUZKIT-UHFFFAOYSA-N 449.267 4.645 30 10 IJEE CCCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2249389594 ATKJYWMJMNAWOE-UHFFFAOYSA-N 431.744 4.831 30 10 IJEE C=CCCC1([C@@H](Cc2ccc(F)c(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2281043899 YBSNSIGNROJQOQ-GOSISDBHSA-N 441.385 4.922 30 10 IJEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2282099127 CVDPHHQSKZGQMH-OAQYLSRUSA-N 449.400 4.504 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(N)C#Cc1cccc(Br)c1 2296218953 JQSPZHWFCMTXCR-FGSXEWAUSA-N 433.390 4.554 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](C(=O)C#Cc2cccc(Br)c2)CC1 2296225464 VNAQRMWPUMLCCL-NBEIKUQISA-N 438.337 4.793 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@@H](O)C#Cc2ccc(Br)cc2)C1 2296284666 TUHRPOMBJBXPCJ-MJGOQNOKSA-N 436.390 4.835 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 2296291531 POJMJGPPBCJVGX-OTWHNJEPSA-N 439.369 4.516 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](N)C#Cc1ccc(Br)cc1)C1CCCCC1 2296304688 KFDNUJWRPUFCBZ-WOJBJXKFSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2ccc(Br)cc2)C2(CCCC2)C1 2296309897 BVBMACKDPGZEGI-OALUTQOASA-N 433.390 4.555 30 10 IJEE COc1ccc2c(=Nc3nccs3)[nH]c([C@H]3CCCN(c4ccnc(C#N)c4)C3)cc2c1 2296586758 FIFYUSHRGPJIKA-INIZCTEOSA-N 442.548 4.516 30 10 IJEE O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccccc1 2296928054 NYGTUBANFZHFRB-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE CCN1CC(=Cc2ccc3c(c2)CCCN3C)C(=O)C(=Cc2ccc3c(c2)CCCN3C)C1 2297334218 QHBSPRQDIHOKST-UHFFFAOYSA-N 441.619 4.823 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccs3)ccc2O1 2297742592 OHEPDELVJWIOSI-QRQCRPRQSA-N 431.513 4.693 30 10 IJEE C[C@H](Oc1ccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1)C(=O)O 2313565021 MYUOXSNUWLFMFF-JTQLQIEISA-N 437.304 4.737 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2OC)cc1 2314429931 RUKAJSVGRNBTDM-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1N=Cc1c(C(=O)O)n(C)c2ccccc12 2321766862 ZCHDZWSXKARITP-UHFFFAOYSA-N 433.537 4.595 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1N=Cc1c(C(=O)O)[nH]c2cc(OC)ccc12 2321767412 LQRBVIRLKDMUCX-UHFFFAOYSA-N 449.536 4.593 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1 2323628380 ZKDRODYBXJTQSP-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 2324140147 ZQHBPTXDHRYYSQ-UHFFFAOYSA-N 432.476 4.891 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(OC)c4)cc(C)c3C2=O)c1 2325572185 ZZNZWCIQGSHGHN-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1OCC 2325649509 BVRBBBVWJZBSEM-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE CCSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1N=Cc1ccc(O)cc1O 2325904449 VIAXGQHQYPKDPE-UHFFFAOYSA-N 440.569 4.868 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccc[nH]2)cc1 2329647518 RBJQFDVEZUCYOZ-UHFFFAOYSA-N 438.538 4.536 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CCC2)ccc1O 2331539287 IRFUKWSQXSWPQA-UHFFFAOYSA-N 443.916 4.987 30 10 IJEE C=CC[C@@H](Oc1cc(Br)nc(C(C)C)n1)[C@@H]1CCN1C(=O)OC(C)(C)C 2335734488 FECRDDQUSIOMKO-UONOGXRCSA-N 426.355 4.695 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339543657 UQOOCFOEYZPWNF-OALUTQOASA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339574420 HSOMTCNHUAZMDZ-QFQMRYFISA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)CC[C@H]1C2 2343612906 ACOWNDSIWNAASJ-PGCWRHLGSA-N 441.381 4.680 30 10 IJEE C=C1CC(C[C@H](NCCC)[C@@H](O)c2sc(Cl)cc2I)C1 2366647784 KCRQNLDMKOCHOX-GXTWGEPZSA-N 425.763 4.764 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2C)nc2scc(-c3ccco3)c2c1=O 711304 GAVPDJWZWAWDSQ-UHFFFAOYSA-N 437.546 4.943 30 10 IJEE C=CCc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=N)NC2=O)c(OC)c1 6624704 SPBUDTKIXORSDK-DEDYPNTBSA-N 444.940 4.674 30 10 IJEE COc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)c3c(OC)cccc3OC)c1)C2=O 8823878 SCCOWBCGBARNAF-XKZIYDEJSA-N 432.428 4.548 30 10 IJEE CCOc1ccc(C(=O)N/C(=N/c2cccc(C)c2)N2CCN(c3ccccc3)CC2)cc1 15729121 XVZTYYPKRUNZJT-UHFFFAOYSA-N 442.563 4.633 30 10 IJEE CN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1C#N)c1ccc(F)cc1 33050489 LLEIYFPRMBWFEU-UHFFFAOYSA-N 430.508 4.850 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccncc3)C4)C2=O)cc1 41587387 NFNYAEPSBPRSRS-FMCGGJTJSA-N 428.488 4.757 30 10 IJEE C#CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(OC)cc2)cc1 64796802 DDLALIQBWNKBJT-SFHVURJKSA-N 433.485 4.608 30 10 IJEE COCCCN/C(=N\[C@@H](C)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(C(=O)O)cc1 65302154 GGHIWBYTWBOHCR-SELVFMLMSA-N 427.589 4.774 30 10 IJEE CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 105535662 YCJPMZSHLXVAIL-QGZVFWFLSA-N 436.364 4.964 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 164197172 ILIYFTKBFOFZHO-MKMNVTDBSA-N 431.488 4.926 30 10 IJEE CCCN1C(=S)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169928852 RQGDFBYNZBJRMF-NRFANRHFSA-N 440.565 4.511 30 10 IJEE CCN1C(=S)N[C@H](c2ccc(O)c(Br)c2)C(C(=O)c2ccccc2)=C1C 169931658 HRLMTVFZSHOYKB-GOSISDBHSA-N 431.355 4.563 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)c1OC 169951401 PQXTUKPUSKPANI-FQEVSTJZSA-N 441.911 4.878 30 10 IJEE CCOc1ccc(C2=C(N(CC)c3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 169996449 MJDJRWLKNOQDMM-UHFFFAOYSA-N 437.499 4.768 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccnc2)cc1Cl 170008924 CHRRPBSUOMMHNQ-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1OC 170091770 CSRNEODMIZVIEC-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)c1 170171934 FXSNVGREHQIDJC-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccnc1)c1c[nH]c2ccccc12 170191764 GFVCDUZDPUJJSM-OAQYLSRUSA-N 431.398 4.624 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1C(C)C 170231185 MHYPUIOGECSADZ-XMMPIXPASA-N 442.515 4.992 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccccc1C 170273105 LZRILOTZVOAVDD-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCCN(C)C 170276090 LQSZOQMIKUIJFB-FQEVSTJZSA-N 447.362 4.832 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1 170289795 XLVFNDJOWDTIEW-HSZRJFAPSA-N 442.471 4.969 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@@H]3c3ccco3)ccc2O1 170296221 VOTPCEKBSAMYEU-RCDICMHDSA-N 433.435 4.521 30 10 IJEE CC(C)COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccn2)c1 170419861 PBVXFOFRQAKAOF-DEOSSOPVSA-N 442.515 4.895 30 10 IJEE CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 254289394 QBZODPXJAFXWQK-UHFFFAOYSA-N 433.474 4.949 30 10 IJEE CCN1/C(=C(\O)c2ccccc2)C(=Nc2ccc(OC)cc2)c2ccccc2S1(=O)=O 254382979 MLIRAEKQPDBIQI-UPWLHPJZSA-N 434.517 4.767 30 10 IJEE C=C(Br)COc1c(Br)cc(Br)cc1C[C@@H](N)CC 311209657 OMEIPYCCGXRQGL-NSHDSACASA-N 441.989 4.779 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCCC(F)(F)C2)nnc1-c1ccc(Cl)cc1 427342790 RUZBRDWBJQGNJZ-HNNXBMFYSA-N 426.920 4.571 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)C1=O 439382170 QLHDQOYBHMCNEA-IBGZPJMESA-N 438.528 4.661 30 10 IJEE Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 441995067 DPHZMENLEBTIQD-GOSISDBHSA-N 445.494 4.826 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2NCC)nnc1-c1ccco1 490736809 UVMOYKSWMBHEFP-UHFFFAOYSA-N 431.949 4.930 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 508893887 ITUUENBFVQKHDS-LJQANCHMSA-N 443.320 4.611 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C\c2ccc(O)c(Br)c2)c1 526818536 NVCOJLIVNGOOGY-FBHDLOMBSA-N 431.359 4.846 30 10 IJEE N#Cc1ccc(CSc2nncn2/N=C\c2ccccc2COc2ccccc2)cc1 526822742 LSOXJGOQFGVQJP-DICXZTSXSA-N 425.517 4.903 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2cccc(Cl)c2Cl)c1 526826547 VBDDFCVKDIJCLE-YVNNLAQVSA-N 435.336 4.854 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1cccs1 551086271 LHQCSNYMSMHYCA-AWEZNQCLSA-N 436.566 4.702 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](n2ncc3ccccc32)C1 555262919 ZXZZHXYSZCCSAS-IBGZPJMESA-N 448.958 4.984 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H]3c3ccc(Br)cc3)C2)c(F)c1 573470866 RMEVMHHGOVCIKN-FXAWDEMLSA-N 442.332 4.650 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 581417275 POCCAXAQLFVYRK-SDHOMARFSA-N 444.579 4.547 30 10 IJEE C=C(C)CN(c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586258312 QTRYADUOWKVOLA-UHFFFAOYSA-N 430.751 4.883 30 10 IJEE O=C(NC1CCCCC1)NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 586509033 UREQCAUDKNBOHY-UHFFFAOYSA-N 449.400 4.642 30 10 IJEE C=CCC1([C@@H](N)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 722924529 ZVMWQDJUTIPQLJ-INIZCTEOSA-N 429.786 4.786 30 10 IJEE COc1cc(/C=C2/CCc3ncc(C(F)(F)F)cc3C2=O)cc(Br)c1O 777468715 WNIBBHKZMACQTA-WMZJFQQLSA-N 428.204 4.790 30 10 IJEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCC(C)(C)C#N)c1 781942641 HPKVCVYVYGDOKN-UHFFFAOYSA-N 448.972 4.647 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(SCc2ccccc2)cc1 787060748 MWPBWBDYKARILE-JOCHJYFZSA-N 445.500 4.526 30 10 IJEE Cc1ccc(C)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC3(CC#N)CC3)C2=O)c1 797424017 BKZUHHYQBRHZFW-NRFANRHFSA-N 446.576 4.958 30 10 IJEE Cc1cccn2cc(COc3ccccc3C(=O)NCc3ccc(C#N)c(Cl)c3)nc12 1128344677 CPCIDUCCPUOLAP-UHFFFAOYSA-N 430.895 4.677 30 10 IJEE C=CC[C@H](CC)NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 1128425329 HQJVPLSJZVLJID-IBGZPJMESA-N 426.582 4.891 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 1134654238 AGMHKRVWXRNSRM-LJAQVGFWSA-N 439.558 4.514 30 10 IJEE C=CC1(CC(=O)N(C)[C@H]2CCCc3c(OC)ccc(Cl)c32)CN(C(=O)OC(C)(C)C)C1 1164464122 BEKUQTYRCVDIPM-SFHVURJKSA-N 448.991 4.998 30 10 IJEE COc1cc(Cn2cnc3cc(F)c(Cl)cc3c2=O)ccc1OCc1cccc(C#N)c1 1166254260 CBLFFNBXYAEJEF-UHFFFAOYSA-N 449.869 4.697 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1)c1ccc(Cl)cc1F 1196812889 LGUHDWKGHYKMRJ-IBGZPJMESA-N 449.357 4.770 30 10 IJEE CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1203838810 HTFYJSCWKAFYIS-UHFFFAOYSA-N 436.512 4.872 30 10 IJEE C=CC[C@@H]1CC[C@H](Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1206159423 MEJCJSBDVGROHF-RTWAWAEBSA-N 429.605 4.775 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1F 1212071811 DTCPUWJGYLPCDL-QFIPXVFZSA-N 444.915 4.587 30 10 IJEE C#CCN(C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1222952350 CHEJJCCVEHGHMI-NRFANRHFSA-N 427.589 4.792 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 1224913513 DOUGJZAUUKRHIH-RDJZCZTQSA-N 426.342 4.610 30 10 IJEE C[C@@H](CN(C)C(=O)c1ccn(-c2cccc(C#N)c2)n1)Oc1ccc(Cl)c(Cl)c1 1269136865 FXDJJDUPQRYHGR-AWEZNQCLSA-N 429.307 4.590 30 10 IJEE C=CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)CCCCC1 1272726569 WMTJUEXCMDBTPB-AZUAARDMSA-N 448.629 4.561 30 10 IJEE COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C#N)c(F)c2)c1 1274874916 BVUMTKXFMXNAGL-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCSC(C)C 1286520269 DAUHSTYFYAIFBN-HXUWFJFHSA-N 433.419 4.841 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](CCC)C1 1286532592 GZBGDNQBINSQAC-CQSZACIVSA-N 425.758 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1noc2c1CCCC2 1286584148 YSOGPXOUNYXFMT-UHFFFAOYSA-N 435.572 4.791 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)C[C@H]1CCCO1 1286587621 NMIYTQJKCWVLFG-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1286604947 FDOKEQLRENPVJG-LADGPHEKSA-N 447.583 4.537 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCc1nccs1 1286619545 BJFPNMMUHIJXBI-CQSZACIVSA-N 438.384 4.959 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COCc2ccccc2)C1 1286621648 LUGVCHLTPJRIMV-SFHVURJKSA-N 444.366 4.789 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](C)N(C)C)CC1 1286638348 ZANRVIFQDGCERF-MOPGFXCFSA-N 432.012 4.795 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCNC(=O)c2cccs2)CC1 1286657278 VZRWAESEHNOAQK-OAQYLSRUSA-N 449.624 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(F)cc2F)nnc1[C@@]1(OC(C)C)CCOC1 1286677114 YHBBFLHUWXZFGR-XMMPIXPASA-N 448.558 4.836 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1286678662 BSJKDVHPZALVJM-HSZRJFAPSA-N 426.568 4.754 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccccc1 1286762997 AJHBQCJATQFYMN-VWLOTQADSA-N 432.524 4.582 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2c(C)coc2C)C1 1286800320 JOCPIIRSYKWYPU-WIYYLYMNSA-N 440.519 4.597 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286833634 JRTNRDZGKYOLDC-GDBMZVCRSA-N 428.499 4.562 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1295396014 BHXJJMCVCBTBRV-APWZRJJASA-N 426.590 4.587 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C(C)C)C(C)C 1300273802 HFKIHXVGHKSIKI-RBUKOAKNSA-N 432.012 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCO[C@H]1C(=C)C 1300437990 CBCNGYXPCJFDMO-BEFAXECRSA-N 426.973 4.864 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)C(F)(F)F 1300516281 LAQJBHISCMXNAR-HNNXBMFYSA-N 434.531 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCC1CCC(OC)CC1 1300557485 URWPXSCJSIRGEQ-PUOLSWATSA-N 432.612 4.878 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1300600682 AGSJLXKKCJVBJG-KPDCDPCYSA-N 430.980 4.879 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C)C1 1300742759 UIJNEFTVLGPPLX-ZDUSSCGKSA-N 439.810 4.574 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCSC2(CCCCC2)C1 1300753842 BXHPHPXSJPGDPW-UHFFFAOYSA-N 442.654 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCn1ccnc1C 1300788146 SDRQKPKCKHEYCX-HFZDXXHNSA-N 446.599 4.622 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1SC 1300888227 IQTHVFBRJPPLLT-URXFXBBRSA-N 449.624 4.603 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1300965702 WEUBFFADWVSMAT-IBGZPJMESA-N 432.037 4.865 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1301036515 GFCZPOUKNYWGQX-ACRUOGEOSA-N 430.980 4.876 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1301134908 ORHBTWMLHDBRBN-RCZVLFRGSA-N 438.616 4.937 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](COc2ccccc2)C1 1301154445 RWMHPTYFRLYAMW-JOCHJYFZSA-N 431.584 4.772 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nnc2n1CCC2 1301168901 WDXQLGQXFSAGQU-UHFFFAOYSA-N 443.958 4.506 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)C1CC1 1301320804 NWSPUEDVEAEPSB-UHFFFAOYSA-N 436.869 4.554 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1)C1CC1 1301326441 AGNHBVCZSOAXNC-UXHICEINSA-N 441.620 4.904 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(SC)CCN(C)CC1)C1CC1 1301330318 KCVXCSIMQPWZIT-UHFFFAOYSA-N 446.064 4.505 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@H]1C(C)C 1301350920 DIOQVWWLKSXAMX-XJUOHMSHSA-N 442.579 4.565 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1301436058 KMUJJSCOYWSVCB-GOSISDBHSA-N 441.645 4.593 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2cccc(F)c2)s1 1305291017 BJNCDAGQQLNKQG-CQSZACIVSA-N 425.913 4.924 30 10 IJEE N#Cc1ccc(CSc2nc(O)c3cnn(Cc4ccccc4)c3n2)c(C(F)(F)F)c1 1307373432 LDVXWGZLOSCQGR-UHFFFAOYSA-N 441.438 4.763 30 10 IJEE C=CCOc1ccc(CNC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1311479747 UUTCAFYIOSJMLT-UHFFFAOYSA-N 432.520 4.857 30 10 IJEE C[C@@H](OC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 1320510366 HXOVDZJCMOSMMO-SNVBAGLBSA-N 447.438 4.793 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(F)cc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1353583619 LHAPPOCGLANYNV-HXUWFJFHSA-N 430.442 4.807 30 10 IJEE C#Cc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)nc1 1354039990 SDHKRCGZTPTTIO-XMMPIXPASA-N 429.589 4.777 30 10 IJEE C=CCOc1cccc(NC(=O)Cc2cc(OCC)c(OCC)cc2Br)c1 1357421877 KYEDUFLSBMFHHM-UHFFFAOYSA-N 434.330 4.993 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1358922058 RUXNLRZUQKWRFZ-WOJBJXKFSA-N 434.613 4.859 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](CC)O[C@H](C)C1 1359051638 FQOLKFHOUSIHPH-ZBFHGGJFSA-N 439.412 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)Oc1ccccc1F 1359068933 UZWQDSHWFYYSCY-KBMIEXCESA-N 433.531 4.637 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]2CCC[C@@H]21 1359126829 AFEIKOCADUJDFW-ZVDOUQERSA-N 428.552 4.919 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359135962 UPRUAWQHPYLWKC-UHFFFAOYSA-N 437.632 4.547 30 10 IJEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CCC 1359148839 FGNMKOHOVKZUCJ-MRXNPFEDSA-N 442.995 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCc2nc(C)cs2)CC1 1359161373 AVVUMUHKTYTEFX-UHFFFAOYSA-N 438.557 4.798 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2csc(CC)n2)CC1 1359168312 OYLCHVGXLUEKRO-UHFFFAOYSA-N 444.004 4.929 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359201013 ZEPWNMAXRWSHEK-NRFANRHFSA-N 442.579 4.995 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1359234376 NEPTXFJBSRECSV-WIYYLYMNSA-N 431.378 4.535 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1cccc(NC(C)=O)c1 1359277474 NITCMALCCBCYIH-UHFFFAOYSA-N 435.572 4.702 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCS1 1360766767 CJRZOOSXWKGRFX-WMZOPIPTSA-N 429.565 4.583 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)nc1 1434909794 AVSQOOXTHRETRQ-UHFFFAOYSA-N 425.448 4.757 30 10 IJEE C#CCN(C(=O)Cc1ccc(C)c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1435176005 PUVSBNZEAUHMQI-LJQANCHMSA-N 432.745 4.939 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)cc1 1436302703 PWOJPHAIJWJAEA-UHFFFAOYSA-N 435.936 4.991 30 10 IJEE C#CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1440410089 AZTAORRSGARTPX-UHFFFAOYSA-N 449.370 4.546 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 1446738026 ZBXXHNPISPICMW-BBRMVZONSA-N 434.886 4.789 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 1456300310 DNBPHARGGNBIBQ-UHFFFAOYSA-N 449.620 4.619 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1 1458132769 FJGKBMSUDDNVPG-CVDCTZTESA-N 426.582 4.545 30 10 IJEE C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(SC(F)(F)F)cc1 1458251089 HDNOLCXMCIYKMJ-XJKSGUPXSA-N 434.439 4.827 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](c3ccc(F)cc3)CC2)n(Cc2ccco2)c1C 1459812234 CSRQWBMTSNIYHS-FQEVSTJZSA-N 448.542 4.965 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4cccc(F)c4F)CCCC3)n[nH]2)c1C 1466850965 MFLVQSLCTHHLLV-UHFFFAOYSA-N 439.510 4.596 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1)c1ccc(Cl)cc1F 1468520907 MGYVIZRKBKZAMG-FQEVSTJZSA-N 427.838 4.979 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 1468604545 XMUXSFULIWUEQW-QFIPXVFZSA-N 427.976 4.759 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)cc1 1470253976 TVIIMWSPNXRKDB-FQEVSTJZSA-N 427.342 4.584 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 1477597769 FNJFBWZJGGXEGG-INIZCTEOSA-N 440.401 4.796 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(OC)cc1Br)c1ccc(Cl)cc1F 1478300677 XETXKTMCDFTHLU-ZMZPIMSZSA-N 439.712 4.985 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H]1CC=CCC1 1507748321 MIFUBTRZNRSDRC-KRWDZBQOSA-N 445.430 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507815481 BBYIATOUTYXITA-ZWOKBUDYSA-N 430.515 4.626 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1507827256 CNYWDJMWAQKCKZ-ABAIWWIYSA-N 435.277 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(OC)CCCCC2)CC1 1507878955 BVFYCOKNOKPQIO-UHFFFAOYSA-N 448.409 4.552 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](CC)c1ccccc1 1507987217 UMZLRVXYDCCOLL-NRSPTQNISA-N 439.604 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCN1CCCC(C)(C)C1 1508007893 JJSSFJXRKMGFPQ-NRFANRHFSA-N 443.661 4.896 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)cc1OC 1508028135 RKIWBBABWJOHGQ-UHFFFAOYSA-N 437.931 4.812 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(CCC(C)(C)C)CC1 1508163155 UCYRFZOYJLTJBR-UHFFFAOYSA-N 441.689 4.655 30 10 IJEE CN(C)CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)ccn1 1517481606 GBCVZQOVWJCULS-UHFFFAOYSA-N 436.899 4.592 30 10 IJEE C#CCSc1ccc(COC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)cc1 1522392472 JEKBCGOZSWWAMI-UHFFFAOYSA-N 435.549 4.699 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccc3)CC2=O)cc1 1526497520 FVYVLIWCSDZPCG-XUZZJYLKSA-N 443.934 4.665 30 10 IJEE C#CCC1(C(=O)Nc2cc(I)ccc2Br)CCCCC1 1528190033 YNHGLEYKAAFBMT-UHFFFAOYSA-N 446.126 4.966 30 10 IJEE C=CC[C@]1(C(=O)N(C)c2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1528213068 INRUNDKXKQRZGW-HXUWFJFHSA-N 441.341 4.897 30 10 IJEE CCc1c(C)sc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)c1C#N 1529661472 GEINLZBPHNUPOY-ACJLOTCBSA-N 436.364 4.956 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)n3)cc2n1 1536229848 MCDLJCSMDHUUDH-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1536549607 HUMMLNJZLDINAB-XIKOKIGWSA-N 433.733 4.935 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1539326282 UAWILGNQDWDPBH-VWLOTQADSA-N 445.655 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@H](SC)C(C)(C)C 1539563831 RGCKNADHRJPXLG-HYBUGGRVSA-N 426.630 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1539566777 QJBVSRQSIMDDIP-QSEAXJEQSA-N 449.643 4.526 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC(C)C)C(C)C 1539620878 NWICEWRLQRNYEW-TZIWHRDSSA-N 427.549 4.705 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCc1cccs1 1539637423 QLNOQXORTYBDTB-CVDCTZTESA-N 440.588 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1539651680 IZJSODOCJXNGBR-CZSZKKDXSA-N 448.652 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1cccc(C)n1 1539666403 YMAWGUKWCUHZSV-UHFFFAOYSA-N 428.540 4.949 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1539774502 CHNJGOSIDTVFBR-APWZRJJASA-N 434.943 4.705 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2Cc2ccc(C#N)o2)CC1 1539840173 MGMUPCSYTPTRQE-UHFFFAOYSA-N 447.539 4.802 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1ccc(C)cc1 1540072422 ULFGXXLGMNHPJU-NRFANRHFSA-N 439.604 4.566 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H]2C[C@@H]2C2CCCC2)nnc1-c1ccc(Cl)cc1 1540075761 YFJCLJQGIWDQGS-IEBWSBKVSA-N 431.005 4.819 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1540180859 XDZKOFAMHVBPNB-UHFFFAOYSA-N 444.926 4.742 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1540860282 YHGSGXMDZHYAIJ-SFHVURJKSA-N 449.393 4.590 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1540881145 ZQYZINUPBDCHSD-HXUWFJFHSA-N 437.613 4.911 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCc2coc(-c3ccc(C)cc3)n2)C1 1540882176 CWNPTINEJHTWND-DENIHFKCSA-N 435.572 4.779 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)CSc3nccn3Cc3ccccc3)cn2)cc1 1540972859 CDFZCPVVHWIKAU-UHFFFAOYSA-N 441.516 4.721 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCOC1 1542128432 AGIKOEKKLXYNGE-OTWHNJEPSA-N 445.995 4.853 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@H](C)c2c(C)noc2C)n1 1542582226 FKSCTYVXWHYVBF-KRWDZBQOSA-N 435.576 4.823 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)c1ccc(Cl)cc1F 1556559568 KYMLDAGNIJTZGS-PMACEKPBSA-N 430.907 4.844 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 1556967554 JKZZAYBKERQCPA-UHFFFAOYSA-N 425.666 4.757 30 10 IJEE C=CCCCCCN(C)C(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1564453910 ZWNBEODQWUDQOB-LJQANCHMSA-N 425.495 4.584 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(OC)ccc1Br)c1ccc(Cl)cc1F 1565001798 DAAWRDUBCMEFME-SFHVURJKSA-N 439.712 4.766 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC 1583630542 CYIOYHCYRXMSIC-INIZCTEOSA-N 435.351 4.748 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC1CC(OC(C)(C)C)C1 1587674393 ZLMHOHYGGVBAAS-XPQZIERPSA-N 445.007 4.952 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1587865639 UGCVFQAAAMQKAQ-BJKOFHAPSA-N 433.644 4.682 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccc(C(F)(F)F)n1 1587937922 YEOYJKYYZDHAPH-UHFFFAOYSA-N 427.474 4.774 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1589185960 MVUPCGGCRGWTRE-NOMHHCBYSA-N 449.643 4.702 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1cc(Br)cs1 1589528864 IUZXPPBQXQTNEX-RHSMWYFYSA-N 437.407 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CC(F)(F)CO1 1589608969 SJHWDGGBPMZNTP-NVXWUHKLSA-N 436.572 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594472587 GKNXSQZTQVPGPC-AWEZNQCLSA-N 436.387 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](CC)C1 1594492269 XDJWSOJAHPIDBR-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCc2c(ccnc2O)C1 1594679955 LJRLHMFZCOALIJ-IBGZPJMESA-N 433.556 4.664 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](NC(=O)CC)C1 1594693184 SDJDVJOSHPWUHZ-HKUYNNGSSA-N 441.645 4.593 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1594803504 VWEBBXMMOXVIFH-QGZVFWFLSA-N 429.515 4.511 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1csc(-c2ccco2)n1 1606957429 GCTGJVRPEWFATB-UHFFFAOYSA-N 447.568 4.871 30 10 IJEE CCN1CCC(CNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1625884221 HEMFRPSTZCTOFL-UHFFFAOYSA-N 429.380 4.829 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1 1630193852 GRKANQHNSYPUKB-RHSMWYFYSA-N 443.371 4.706 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1OC 1632623453 KQQIIMLNBLXNFP-KRWDZBQOSA-N 431.357 4.895 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1F)[C@H]1CCOc2ccc(Br)cc21 1636039337 RFZNVNYZYODNLO-DBVUQKKJSA-N 443.316 4.613 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1cc(F)ccc1F 1644504962 UCWQVQKCSZSHID-GFCCVEGCSA-N 427.264 4.882 30 10 IJEE C=CCn1c(Sc2nc3ccc([N+](=O)[O-])cc3s2)nc2cc(Cl)ccc2c1=O 1651293947 SPXNMLRSWGEDSJ-UHFFFAOYSA-N 430.898 4.905 30 10 IJEE COc1ccc(-c2nc(SC[C@H]3[C@H](c4ccccc4)C3(F)F)nc(O)c2C#N)cc1 1652472578 XNUNHEKJYZIXKX-ROUUACIJSA-N 425.460 4.870 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 1656139304 NHKMIZSTKLUNKV-IFMALSPDSA-N 430.342 4.756 30 10 IJEE C=CCOc1cccc(CN[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)c1 1656214196 MWSACLYUBPNFQZ-OAQYLSRUSA-N 443.385 4.916 30 10 IJEE C#CCN(CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1657340418 SFMUJWNYHLVFHF-IBGZPJMESA-N 447.760 4.890 30 10 IJEE C#CCCCCCCN1CCC[C@@H](CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 1660257146 LMFAFEGZCHQXBZ-OAQYLSRUSA-N 436.637 4.861 30 10 IJEE CN(C)[C@@]1(CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCSC1 1662729442 GKGUDSTTYXVSOZ-OAQYLSRUSA-N 447.029 4.922 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1OCC 1663255684 LFLVJPLQXDMROL-BBRMVZONSA-N 438.284 4.612 30 10 IJEE C=CCn1cc2ccc(NCc3ccc(OCC(=O)N4CCCCC4)c(OCC)c3)cc2n1 1663341385 KZDAEMWIRGLJQT-UHFFFAOYSA-N 448.567 4.624 30 10 IJEE C#C[C@H](NC(=O)N1CCc2ccc(C(F)(F)F)cc2C1)c1ccc(Br)cc1 1674030308 CWVLIDCXABZZDE-SFHVURJKSA-N 437.259 4.910 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 1674098364 BDGDEGIMIDAUGD-UHFFFAOYSA-N 434.628 4.685 30 10 IJEE C[C@H](NC(=O)NCc1ccc2c(c1)OCCCO2)c1ccc(-c2cccc(C#N)c2)cc1 1678151547 AVWNEXFTWFOTRD-SFHVURJKSA-N 427.504 4.947 30 10 IJEE C=CCCSCCNC(=O)N(Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 1682532158 JKSWGIRTHLEAIX-SFHVURJKSA-N 441.435 4.757 30 10 IJEE C#CCN(C(=O)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 1682577648 CZZYOJYHGJJBDX-NHAYFPRASA-N 433.390 4.990 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1683680528 DTMJNLMCRNZMAL-MOPGFXCFSA-N 433.733 4.640 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccsc1)[C@H]1CCOc2ccc(Br)cc21 1684554214 PTAXAJYFWZYYGM-JQHSSLGASA-N 431.355 4.535 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1685820514 XOZQBQHRAVLJHZ-QWHCGFSZSA-N 434.327 4.570 30 10 IJEE C=C(C)[C@@H](NC(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173138 CEUHXIWIFCMODE-GOSISDBHSA-N 425.520 4.965 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21)c1ccc(F)cc1 1686917304 JKSCSAMAVHUZJU-AHKZPQOWSA-N 428.507 4.546 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCSC1(C)C 1689972363 MJVMNLSUKQOZIA-SFHVURJKSA-N 447.048 4.853 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CC2(CCOCC2)C1 1690067214 VGMLAAHSPKRUQD-UHFFFAOYSA-N 433.383 4.918 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1C(C)C 1690185314 XGFZHBXUWCUNTR-GOSISDBHSA-N 430.643 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCCC1(C)C 1690256809 WTSVDUZKXBDCIN-UUOWRZLLSA-N 430.568 4.901 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(=O)N[C@H](C)CC)CC1 1690399380 VJEAUFRATYKWRG-GOSISDBHSA-N 446.599 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690422758 ZQBFOXVOGVFYAM-UHFFFAOYSA-N 437.632 4.805 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnc(C(C)C)nc1 1690436215 NPLKGLYBCOWNCR-UHFFFAOYSA-N 439.633 4.786 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1nc(C)cs1 1690607501 OAXZJBOSCCNEIY-PXNSSMCTSA-N 441.601 4.916 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)[C@@H]3C[C@H](OCC)C3(C)C)nnc2C(C)(C)C)cc1 1690681206 JKBHJOQEPRPYOQ-RTWAWAEBSA-N 426.605 4.829 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2sc(C)nc2C)C1 1690688401 UWLOLASTKFNRQY-GOSISDBHSA-N 429.977 4.501 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1690737801 XVUXGKYJFYHZGF-ROUUACIJSA-N 430.618 4.754 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2ccsc2)nnc1[C@@]1(OC(C)C)CCOC1 1705521419 BHEQIXDGRLXGNR-NZQKXSOJSA-N 428.602 4.525 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1705528257 ZYBKTSAXYWKNEI-UHFFFAOYSA-N 431.584 4.608 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(OCC)CCCC1 1705592265 GNQCRKKLMSIASP-UHFFFAOYSA-N 428.939 4.550 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1705592700 RERONAJKIYSPPN-LADGPHEKSA-N 430.596 4.687 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCCSC 1705672271 RJDBNWNAJATUSF-XMMPIXPASA-N 434.613 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cc(Cl)c(OCC)c(OC)c1 1705674802 RKVURKDGIBQEBB-XMMPIXPASA-N 445.007 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)C1 1705708516 CZRAJFSTGHEIDD-NMMYMHLASA-N 438.616 4.982 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705776358 DWCHGYGSSLKSQF-XFAGBWLFSA-N 430.568 4.757 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(CC)Cc1cnn(C)c1 1705788258 VCQTUOMETCZMHD-UHFFFAOYSA-N 429.572 4.856 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 1705789103 YRNFGWQVEHOKIN-UHFFFAOYSA-N 444.023 4.502 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705809174 JVKSTXYQJQCNJX-JRGCBEDISA-N 430.980 4.728 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1Cl 1705842287 MTZVAWRILJLXBP-UHFFFAOYSA-N 445.995 4.717 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC(=C)Br)C1CC1 1705850538 XIRVGZQEKUMQCF-UHFFFAOYSA-N 444.196 4.833 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1705872093 KYGGZINSNWVCCH-DNQXCXABSA-N 429.568 4.995 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1cc(F)cc(OC)c1 1705880959 WDHMXOGSWASYRM-UHFFFAOYSA-N 447.514 4.673 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1705892976 UJJIITQXHZWYIX-HNNXBMFYSA-N 441.269 4.870 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Oc2ccc(Cl)cc2)C1 1705926155 YVYWNPIXMPEOHO-XLIONFOSSA-N 432.996 4.769 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCC 1705945230 FSNYUYQTBVAEHB-UHFFFAOYSA-N 437.654 4.548 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)C1(C)C 1710587995 BZKJWTMPOTUQRY-PMACEKPBSA-N 427.618 4.598 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@H]1C(C)C 1722282872 PFBVBKBCYFOLHI-FIKGOQFSSA-N 430.980 4.516 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1C1CCCCC1 1722406313 NACKLHGQFIXKMX-JOCHJYFZSA-N 426.008 4.855 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CCC(F)(F)F 1722452725 VWGGFDYBKGJHAS-QGZVFWFLSA-N 440.535 4.790 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1722465569 OEIMFYSSTKXIRF-PZJWPPBQSA-N 426.630 4.801 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CSCCS2)CC1 1722575653 QQOALXLYDJDPMP-INIZCTEOSA-N 439.025 4.989 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722583131 MJUGNFRTMVKYDQ-GBESFXJTSA-N 431.625 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@H]1CCOC1 1722586052 RGWROVZDYFQWBK-IBGZPJMESA-N 428.577 4.568 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccccc2C)C1 1722605384 FVTPSNWSYFCOAI-QFIPXVFZSA-N 437.613 4.876 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCN1CCCCC1 1722662674 LIGNGWFBEKSMRT-UHFFFAOYSA-N 427.643 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCc1nc(C)c(C)s1 1722662975 PWNCIXRWMBVYRA-UHFFFAOYSA-N 436.610 4.910 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)(C)C)C1(C)C 1728918293 BRRSOJQUJFUXNO-PWRODBHTSA-N 439.604 4.518 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCSc1nccs1 1740536521 INWCGOLAXLUTMW-CQSZACIVSA-N 449.552 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(C)cc(OC)c1 1740538760 JWYNRZONRPNDMI-WMZOPIPTSA-N 434.609 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1740552767 RRBXBYXOHBCDPB-IBGZPJMESA-N 447.558 4.621 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(CCC(F)(F)F)CC1CC1 1740569535 FZRMRNDGEVDOEL-UHFFFAOYSA-N 425.886 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCS1 1740724361 AQJJYHLMPWAEON-NSXLHWASSA-N 440.613 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCOCC 1740768021 CHUGVMKGVIBRFZ-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H](C)c2ccccc2)CC1 1740827889 NYXGTZRZWPKLCF-IBGZPJMESA-N 435.597 4.620 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1740833652 VEJASSPGNBBXJH-WSTZPKSXSA-N 431.625 4.840 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1740840721 JYQNDLGMOUYEBZ-LJQANCHMSA-N 445.652 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740850561 LZFOHICROILLSQ-PKOBYXMFSA-N 436.522 4.822 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS[C@H](C(C)C)C1)c1ccccc1 1740854062 KUHNZWRKBRLAFN-IRLDBZIGSA-N 436.629 4.616 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C)c1ccccc1 1740854458 PEQCNJARMQTGNS-PUHATCMVSA-N 446.599 4.735 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740888546 OSOKPYFCLUWPAJ-PMACEKPBSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@](C)(CC)O1 1740893513 MNVFRNABSNMDKU-QRWLVFNGSA-N 437.357 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCC[C@H]1CC 1740902134 YWNADXDTLSRGFM-LJQANCHMSA-N 446.437 4.903 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCOC[C@@H]1C 1740920634 FAIDTOKEZFWGJJ-AZUAARDMSA-N 435.547 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccs1)N(C)C 1740928433 HMKGKMLHQKFMMM-QGZVFWFLSA-N 428.993 4.536 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCC(F)(F)F 1740934049 PVVXZYCGUUYEQD-HZPDHXFCSA-N 432.556 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CCOCC1 1748650803 DZGRCSRJZYHPJT-SJORKVTESA-N 444.670 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ncc(CC)s1 1748657573 FEAZHVSXOMAWNV-SFHVURJKSA-N 437.613 4.895 30 10 IJEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1748761080 MGJIKFQRRGAWMD-HXUWFJFHSA-N 425.533 4.516 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)SC)CC1 1749352344 MLEYBXMEQWMROG-HDICACEKSA-N 449.665 4.593 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1749397252 RWLWQGISMDNKAQ-FQEVSTJZSA-N 434.588 4.521 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 1749527664 MWDSJRJGZGKCHT-HTAPYJJXSA-N 428.964 4.647 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@H]1C(=C)C 1749532549 XLKUHXVFSNJBNQ-UPVQGACJSA-N 443.551 4.892 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CCOc1ccc(Cl)cn1 1749563623 LPKRKLGHXNHOKD-UHFFFAOYSA-N 430.339 4.904 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)C[C@@H]2CCCCO2)cc1 1749686199 QADRAXGRASPJOX-QFIPXVFZSA-N 438.597 4.549 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccnc(SC)c1 1760225300 MUIYVHQTQHYKQF-IBGZPJMESA-N 435.597 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(CC)C[C@H]1CCCO1 1760315895 KBBRNPSBPNIRHC-LWSSLDFYSA-N 438.616 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(N(C)C)CCSC1 1760329629 GJXQQVWQWMCASD-URXFXBBRSA-N 427.662 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1760339489 KBUHPNWTAMBMKE-UHFFFAOYSA-N 429.490 4.928 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760368106 UIXHHFVQMAWOGF-VIKVFOODSA-N 425.733 4.834 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(OC)CCC(C)CC2)CC1 1760405554 WZLACQXFHSZRLE-UHFFFAOYSA-N 442.579 4.994 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccn(C)n1 1760419559 VSOAQKAGKXNVRD-UHFFFAOYSA-N 449.422 4.734 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1760423477 AXACRIRKYDIBLV-NRFANRHFSA-N 440.588 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2=CCCCC2)C1 1760539890 XMPYAONDKJABHG-HXUWFJFHSA-N 443.389 4.989 30 10 IJEE COc1ccccc1[C@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)OC(C)C 1768855738 CKIURPVFPDVPIU-SQJMNOBHSA-N 439.604 4.881 30 10 IJEE N#Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1860599610 DKECROLWRTUKDY-UHFFFAOYSA-N 439.515 4.628 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(=O)n(CCC)c1 1861243986 UUYNLSBWHBMEBA-QFIPXVFZSA-N 433.637 4.660 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1862443902 REZGKAWXPJTRBI-BMLIUANNSA-N 440.710 4.606 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(C)cc2)cc1 1862554349 AOUFNACWYXIYLG-XMMPIXPASA-N 426.516 4.707 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccccc2F)c1 1862556548 ZKSABJADBZXLDS-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C(C)C)cc1 1862645131 AXONNRTVFZOWMS-QFIPXVFZSA-N 441.499 5.000 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862672366 BLUBXNBWWLWCHX-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862684290 TXXWMIMVZHPRTC-NRFANRHFSA-N 427.472 4.610 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1C 1863253420 IRIPJCRLQXHYIS-UHFFFAOYSA-N 439.490 4.749 30 10 IJEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N([C@H](C)c2ccc(OC)cc2)C1=O 1863731925 HXOOVGQMPZEWQW-CYBMUJFWSA-N 431.319 4.619 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)Cc1nc(-c2ccc(CC)cc2)oc1C 1868987352 MWUBOWBVSKVXOU-JOCHJYFZSA-N 437.584 4.631 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2cccc(Cl)c2)cc1=O 1870814110 WKCYPWINSCOWOO-UHFFFAOYSA-N 440.927 4.766 30 10 IJEE C#CCOc1cn(Cc2ccco2)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1871008198 LRGSRYHWBZYFHC-UHFFFAOYSA-N 440.499 4.693 30 10 IJEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871011615 XSFYSEFGTOKUQV-UHFFFAOYSA-N 436.556 4.676 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)cc(C)c3C2=O)c1 1871390304 PGNSPYALQUXMSR-FMCGGJTJSA-N 444.439 4.764 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 1871448674 VMECOMPNKWWHFV-YOBACFSGSA-N 444.443 4.925 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccco1)C2=O 1871452906 VUXXUKDHJGLJEY-JMIUGGIZSA-N 439.851 4.884 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3F)cc(C)c2C1=O 1871459769 CEYKWLRRHMRQMK-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872521260 GSYMIQZBOKJJKC-AOMKIAJQSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)C1CC1 1872578614 AKOQDRIIOUJDJF-HSZRJFAPSA-N 449.661 4.565 30 10 IJEE CCCCCCCCNC(=O)Cc1nonc1OCC(=O)Nc1c(C)cccc1C(C)C 1872652399 NNJJGDJVBSWALL-UHFFFAOYSA-N 444.576 4.538 30 10 IJEE CCN(CC)c1ccc(N2CC(=O)C(c3nc(-c4ccc(F)cc4)c(C)s3)=C2N)cc1 1872726373 SVJWGZCWKOEDQX-UHFFFAOYSA-N 436.556 4.820 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2cccnc2)C1=O 1873268819 GWKUOGDYIPUCLO-UHFFFAOYSA-N 437.540 4.651 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(F)cc(F)c2)C(=O)N(CCCc2ccccc2)C1=O 1873321012 SCXBIXZSLRXZOB-UHFFFAOYSA-N 443.453 4.661 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)cc1OC 1874219126 WEIQNIAFPFETHL-PCLIKHOPSA-N 448.548 4.848 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)c1 1874260746 PLCONOLOVYJCQS-KBKYJPHKSA-N 443.454 4.777 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2/N=C/c2ccco2)CC1 1874285342 VZKBUBQLDWCTJE-BUVRLJJBSA-N 431.606 4.836 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccncc1 1874314501 XERNTFXBMSAUQC-YZSQISJMSA-N 429.549 4.641 30 10 IJEE Cc1cccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874437671 NFHFROYVKHAGTD-YDZHTSKRSA-N 439.541 4.963 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1/N=C/c1ccc2c(c1)OCCO2 1874438714 PAJHRQLTILBGMJ-AFUMVMLFSA-N 440.544 4.952 30 10 IJEE COCCc1nnc(SCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874472613 NTOFAVHWRKMLTI-PCLIKHOPSA-N 432.549 4.803 30 10 IJEE COCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cn(C)c2ccccc12 1874506123 OPCDDRHKAVQJGS-FOKLQQMPSA-N 425.945 4.744 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CC1 1874518315 NNHOXGHEMKWGPZ-MFKUBSTISA-N 449.580 4.866 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1ccccc1 1874620603 JPIHPIVOBMBVLO-CSKARUKUSA-N 432.472 4.950 30 10 IJEE CC(C)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c([N+](=O)[O-])c2)cc1 1874624200 QVMPNMDWADFGCV-VZUCSPMQSA-N 448.475 4.903 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)C(F)(F)F 1875153495 JMTNJDVENZPYIE-SOFGYWHQSA-N 438.373 4.935 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(Br)cs3)ccc21 1890341621 CHTMEZQNLAPTNP-UHFFFAOYSA-N 435.343 4.701 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(Oc2nccs2)cc1 1891419934 KWBUTCTUCFSOLM-UHFFFAOYSA-N 432.423 4.766 30 10 IJEE C=CCC1(NC[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924542206 RAIQBCPGULXVPA-RBUKOAKNSA-N 437.625 4.567 30 10 IJEE Cc1cc(F)cc(Br)c1NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1963648393 VVIFJZBWRBCKLF-OAHLLOKOSA-N 442.329 4.812 30 10 IJEE Cc1cc(C=N[C@@H](CO)[C@H](O)c2cccc(O)c2)c(C)n1-c1cc(Cl)ccc1Cl 2040465252 FKNSKBGQKBTFRA-RBBKRZOGSA-N 433.335 4.620 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(C)c(Br)s1 2082346186 GWKSLEHQXUYTHL-AWEZNQCLSA-N 431.396 4.637 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 2089284325 SOSCQNWJPYWEPK-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)ccc(Br)c1F 2102886772 KUVSIINQJOVEAK-YJBOKZPZSA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)cc1F 2132675248 FWZMYTWAJHEDHH-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2174769829 OAFTXXOYENQKMI-QGZVFWFLSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)cc2Br)CC[C@H]1C(F)(F)F 2174811675 AZIQNIJTNOROOS-TZMCWYRMSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc(C#N)cc2Br)c1 2181132273 FGCRMXDRUXLVEU-UHFFFAOYSA-N 430.302 4.849 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(Oc2cc(Br)cnc2C#N)CC2CCC1CC2 2198816611 YPDUDRGEBSZDJJ-RUZSNYSVSA-N 436.350 4.568 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cccc(Br)c2Cl)CC1 2201802344 KCLZJIHOSRJKCO-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cccc(OC)c1Br 2207377822 KDFIOPYBPQNXTG-VQIMIIECSA-N 439.394 4.805 30 10 IJEE CCN[C@@H](C#Cc1ccc(Cl)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216973093 MPBWDXJIMYBNGC-XZOQPEGZSA-N 442.987 4.780 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3scc(Br)c3Cl)CC2)OC1(C)C 2264609933 PXKGIFQWGHCHPB-UHFFFAOYSA-N 446.603 4.958 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(F)ccc1NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2268524393 KOKLFXNKQLITDC-FZNQNYSPSA-N 448.344 4.661 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2cccc(Br)c2)CC12CCCC2 2296219418 NXZRIDXANVLDAG-PKOBYXMFSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296221041 FDOFKNHTNPPBJN-MOPGFXCFSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@@H](N)C#Cc1cccc(Br)c1 2296225828 ZFBMDNNIISNNQP-OALUTQOASA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@]2(N)C#Cc1ccc(Br)cc1 2296290934 JBLFXUVIASHXCQ-HMFYCAOWSA-N 433.390 4.554 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296292197 VZQDSIUFQOLAGY-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1cc(I)ccc1F 2296311274 VCEYKNAMRPFDOC-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(C)c4)cc(C)c3C2=O)cc1 2322884275 PSMNDNWJJJSOTN-UHFFFAOYSA-N 428.440 4.925 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)c(OC)c1 2322907775 ZFIDEGXUXLAZTK-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc(O)c2CN2CCN(Cc3ccccc3)CC2)C1=O 2324191861 ANNMTQFVPCOIQJ-UHFFFAOYSA-N 446.572 4.696 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc(OCC(=O)NCc3ccccc3)c2C)C1=O 2324965362 HPJYBZXQYURZFH-UHFFFAOYSA-N 443.499 4.705 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(Cl)cc2)C3=O)cc1 2325731006 FSNZJYWVRACTNO-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C(=O)OC(C)C)o2)cc1 2326867941 BCMWKDJUNIRWSL-UHFFFAOYSA-N 426.542 4.736 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCO)n1N=Cc1ccc(C(C)(C)C)cc1 2328561056 KQICOKKNLFQOAE-UHFFFAOYSA-N 438.597 4.738 30 10 IJEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330123358 FQKSMCAFDBDTGR-MRXNPFEDSA-N 440.569 4.840 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1 2331349457 UQOJEZOVBAGIHO-QGZVFWFLSA-N 439.560 4.612 30 10 IJEE COCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331577588 JRPSJSZISCQYIX-UHFFFAOYSA-N 446.960 4.583 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)COC)c(OC)c2)c(OCC)c1 2331731122 YPPKYYMXQWMNLC-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(Nc2cc(Br)c(C#N)cc2F)C1 2336508183 KRWAVQWACDUVPR-MRXNPFEDSA-N 434.256 4.516 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2cccc(Br)c2F)OC1(C)C 2339446291 LVCHFSYNHLICIT-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574766 MPDVEPDVHGMMGC-UCMOUWFMSA-N 443.397 4.560 30 10 IJEE CC[C@@H]1[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339579647 YXNYEVGGILTJPK-VNRUCGOHSA-N 444.381 4.893 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339580710 FXDGHZZFPZXPDX-VUDPSUQNSA-N 444.381 4.751 30 10 IJEE Cc1cc(CNc2ccc(I)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2343592336 RQEVHXWFQNABLS-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE CCOc1ccc(C=NOCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 12733170 CLBVJMFXFJPXFB-UHFFFAOYSA-N 434.492 4.662 30 10 IJEE Cc1c(Cl)ccc2c1NC(=O)/C2=C1/S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O 15016268 ITSISOWLFAMUFZ-FYWRMAATSA-N 437.830 4.881 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2ccc3ccccc3n2)nc1C 32528203 SNKGOXZEAOVPJG-INIZCTEOSA-N 427.551 4.852 30 10 IJEE CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 35223424 XPYINKMNDOUQCC-DJUDNFEDSA-N 436.364 4.651 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 38592617 NEBMRSIZIMPARD-GBXCKJPGSA-N 445.515 4.699 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(O)c(OCC)c1 40077768 NYTILSNLJKLWAJ-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 41292789 OHPCCTNAACAVDG-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE O=C1C[C@H](S/C(=N/c2ccccc2)NCc2ccco2)C(=O)N1c1cccc(Cl)c1 59489335 HXTRHFXIKFJQLC-IBGZPJMESA-N 439.924 4.776 30 10 IJEE C=C(C)COc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1 66062276 ZLUDACBZSVPHFU-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1 100222033 HPJJUJDTCNHCGZ-QFIPXVFZSA-N 445.604 4.873 30 10 IJEE CCOc1cc(C(=O)OC)cc(N/C=C\C(=O)c2ccc(Br)cc2)c1OCC 103029704 CBNOPMUZUFDTRP-KHPPLWFESA-N 448.313 4.842 30 10 IJEE Cc1nc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)sc1SCC#N 109879867 ZERLBADPWGYBME-UHFFFAOYSA-N 438.563 4.629 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(OC)c2)c1 169928960 PJGNYXHCQCBDME-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccc(O)cc1 169962616 MUBAWDWBXWRKNU-QHCPKHFHSA-N 445.471 4.506 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccnc1 170013427 BJQIQNJTDMICDK-QFIPXVFZSA-N 441.512 4.793 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCOC)cc1 170034361 MDRNAHZJEWDCSI-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)c1 170066417 HTPFWZBXBCJQKG-ISKFKSNPSA-N 449.547 4.966 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCO2 170081228 XNRMYBBMAWWKJC-QFIPXVFZSA-N 447.874 4.763 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(O)cc2)c1 170138299 GQIMJQMGXGSXDN-HSZRJFAPSA-N 435.520 4.948 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 170163451 GSFTVZCFIPDOID-JOCHJYFZSA-N 430.529 4.800 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccs1 170164548 AHMRZDLUJNBSDW-NRFANRHFSA-N 440.609 4.884 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccncc1)c1c[nH]c2ccccc12 170206906 SOEKWICZAWEAFU-OAQYLSRUSA-N 431.398 4.624 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170208097 DMTGTLSWHRPESF-SFHVURJKSA-N 429.259 4.760 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1ccccc1C 170273015 QCLAPGWAQKQJST-XMMPIXPASA-N 441.483 4.858 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273777 MEPCBZQGQHEZGP-URXFXBBRSA-N 427.500 4.906 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccncc1 170275005 AEFBIHCPUZQZKP-XMMPIXPASA-N 442.515 4.956 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)c(OCC)c1 170293201 DGNAKALIFHAHSE-QFIPXVFZSA-N 439.508 4.988 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1cccc(F)c1 170313584 UWIHAOOSBOKDQE-GOSISDBHSA-N 438.436 4.887 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2sccc2C)cc1 170315944 YNWJQJJKKURSQE-QUCCMNQESA-N 441.549 4.603 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 206722278 CXRDFHFBRSEMBX-LJQANCHMSA-N 437.496 4.697 30 10 IJEE Cc1n[nH]c(C)c1N=Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1 254796969 DIYDETJYTASCNE-UHFFFAOYSA-N 427.302 4.557 30 10 IJEE Cc1cc(N)c(C#N)cc1Nc1ccc(Br)c(I)c1 311443024 PZOLJTJWWRKBBQ-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE C=CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(C(=O)OCC)cs1 501948036 RKHMOBSMGRVCGL-UHFFFAOYSA-N 447.516 4.603 30 10 IJEE C=CCCc1ccccc1NC(=O)N(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 505034103 ANASAAKLWLNLMC-SFHVURJKSA-N 427.570 4.570 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 543716748 VFTYCBOFMGNDNF-OAQYLSRUSA-N 427.482 4.863 30 10 IJEE C=CCN(CCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 586124463 SZBKCSZSZMBMGT-UHFFFAOYSA-N 444.778 4.748 30 10 IJEE C#Cc1ccc(C(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)cn1 728857674 UXLHUBBVSRTENJ-UHFFFAOYSA-N 440.934 4.900 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(N2CCCC2=O)cc1 735977151 XHNPYZYRXKCEOX-UHFFFAOYSA-N 440.429 4.520 30 10 IJEE C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(=O)N(CCC#N)c1ccccc1 741373980 XOUSIPKHZNUROQ-IPELMVKDSA-N 446.425 4.567 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(CC(F)F)[C@@H](CC)C2)c1=S 765714683 HISWWISBOCKUBG-KRWDZBQOSA-N 441.979 4.539 30 10 IJEE C=CCOCCn1c(-c2cc3c(s2)CCN(C(C)=O)C3)csc1=Nc1ccsc1 790677702 WTZONTBHIPYDOF-UHFFFAOYSA-N 445.635 4.679 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1)c1ccc(F)cc1 794894173 FTSBYNZGFAIVDN-QFIPXVFZSA-N 438.568 4.813 30 10 IJEE CCc1cc[n+](/C(C(O)=C2C=CC(=NC(C)=O)C=C2)=C(/S)Nc2ccccc2C#N)cc1 917612315 PKIFSEAKYKEUAG-UHFFFAOYSA-O 443.552 4.502 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1cccc(C(F)(F)F)c1 925041304 KPKYOXJPATUQQF-UHFFFAOYSA-N 436.333 4.532 30 10 IJEE CC(=O)C(=NNc1nc(-c2ccccc2)cs1)C(=O)Nc1nc(-c2ccccc2)cs1 1084292345 ONRQRPJVNLIKLS-UHFFFAOYSA-N 447.545 4.929 30 10 IJEE C=C(C)CCC(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 1125318508 QJPDXFXGRMZSDY-UHFFFAOYSA-N 434.277 4.838 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(OC)cc3)cn2)cc1 1125398023 CWDICSJSISNQQF-UHFFFAOYSA-N 443.503 4.949 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)cc1OC 1128925186 ZVURRENRCFJKFB-FNORWQNLSA-N 440.565 4.654 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)cc1 1129277081 RTUGXOUWSOEVLS-JYFHCDHNSA-N 447.506 4.501 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)c3cc(Br)c4nccn4c3)c(C#N)c2[C@@H]1C 1129354694 ADBICAPVMFDWPN-GHMZBOCLSA-N 429.343 4.968 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2occc2C)ccc1Cl 1129413625 OWYRLMZTABSTBL-UHFFFAOYSA-N 444.940 4.553 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]21)c1ccc(Br)cc1 1129610098 DXFCAIHBHRCWFJ-CADBVGFASA-N 445.154 4.588 30 10 IJEE C#CCN(C(=O)c1cc(OC)cc(Br)c1OC)[C@@H]1CCCc2ccccc21 1134094078 XHQVHFPKHDSXKN-HXUWFJFHSA-N 428.326 4.619 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 1141268988 NLBRCMCRNSYMBK-UHFFFAOYSA-N 425.529 4.618 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C(C)C 1144198184 XCYYAZRGGBXQKT-RPGBCBPMSA-N 437.466 4.925 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1147166415 PZWOCKAHDCXZQP-NQIIRXRSSA-N 442.581 4.669 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(C)c(Br)c2C1 1167775679 QNKLJRLLMZLWLE-HNNXBMFYSA-N 443.769 4.636 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCC3(c4ccccc4Br)CC3)cc2n1 1209582046 LKOZKNLYCTXTDL-UHFFFAOYSA-N 425.330 4.838 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c(Cl)c1 1209889261 QKDZZNWLJZFNCA-QGZVFWFLSA-N 449.942 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)OCc1cc(Cl)ccc1OCC#N)C1CCCCC1 1252361985 PFHXJTNHTJEKMH-IBGZPJMESA-N 436.936 4.759 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1265133427 MFOMIDYBDJGDOW-UHFFFAOYSA-N 431.577 4.998 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(C)cc2O[C@H](C)CC)CCCN1C(=O)OC(C)(C)C 1266168167 MQYJKXCAQKRHSM-CLOONOSVSA-N 428.573 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C(C)C)C(C)C 1286276561 RZZPMSHLSXDELF-NRFANRHFSA-N 446.643 4.929 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccco1)N(CC)CC 1286442432 YXRJETIWUSCLDF-QHCPKHFHSA-N 444.583 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C1CC1)N(C)C 1286566952 QHVGLHUSHLMAEJ-PXNSSMCTSA-N 427.662 4.874 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286600774 HRONAQVOCSTKQW-UXHICEINSA-N 425.621 4.650 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1286637017 RBAMLNKODRLXNN-RBUKOAKNSA-N 429.609 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286673759 YJDUIVBHCXJBRB-JOCHJYFZSA-N 444.627 4.577 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1286707451 FIYVUABBHJMZNZ-UHFFFAOYSA-N 446.542 4.952 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(OCC)c1 1286719166 WUHAYTTZTGRAST-UHFFFAOYSA-N 433.375 4.838 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1nc(C)cs1 1286755092 ZADIEEWTKAAOJO-ZDUSSCGKSA-N 447.406 4.783 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)S[C@H](C)C1 1286830744 PZIUVCGMODBNCP-CALCHBBNSA-N 441.626 4.850 30 10 IJEE C#Cc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2Br)c1 1289988357 UENKDCMJURRXAR-SFHVURJKSA-N 429.314 4.635 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1CCCCO1 1292603208 GUCQVWFHKMRPIY-PXDATVDWSA-N 437.588 4.509 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(c2ccccn2)CCC1 1300287243 WMEZXHDFRRUBLV-QGZVFWFLSA-N 435.959 4.582 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1C(F)(F)C12CCC2 1300565528 QYCFUILRQMGGDQ-GOSISDBHSA-N 432.877 4.636 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1cccnc1)C(C)C 1300609033 HVDBZUJPOLJFMJ-OAQYLSRUSA-N 437.975 4.901 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1=CCCCC1 1300674776 FOTVSSAKLWBEPR-UHFFFAOYSA-N 449.382 4.750 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1Cc1cccs1 1300843829 GVULUAZNSWMWPV-INIZCTEOSA-N 444.402 4.830 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)c2nc(C)cs2)CC1 1301095527 IUUOGOCIBFKNCK-INIZCTEOSA-N 427.549 4.721 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1noc2c1CCCC2 1301379845 VUUHBHLBRPPXIC-UHFFFAOYSA-N 439.947 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1301394154 KFLCLAIZZSTDIU-GBXCKJPGSA-N 448.615 4.536 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301446020 VOQHOYYUGMUWTC-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@](C)(OC)CC2)cc1 1301519814 YQXBXSWBSPFYLC-RUZDIDTESA-N 436.556 4.855 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(F)(F)F)cs1 1303044824 IASCKYUUXGOPBR-UHFFFAOYSA-N 434.491 4.823 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1ccsc1)N(C)C 1303635480 GXHAQLNWMQLZMZ-HRAATJIYSA-N 433.585 4.529 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1310065726 PJZUJBMFWRDVOH-UHFFFAOYSA-N 425.451 4.572 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 1310769447 RNVDXKHVPZCQSK-UHFFFAOYSA-N 428.554 4.598 30 10 IJEE CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1312099430 AWRMEZDOEMLTND-OAQYLSRUSA-N 446.517 4.672 30 10 IJEE CO[C@@](C)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N)C1CC1 1315142931 GRMKIBTYQDAVPE-MWTRTKDXSA-N 427.618 4.829 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cnn(Cc2ccccc2)c1Br 1348611274 NTGIFYHOXVPMLH-UHFFFAOYSA-N 427.298 4.650 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(OCC)cc2)nc1CC 1350955829 WURKHUQNTVZCIS-UHFFFAOYSA-N 435.549 4.939 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 1352800591 QPIHAAPUBUDAHA-LJQANCHMSA-N 443.341 4.659 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 1357218491 DKBJNUZXGDCJEO-XMMPIXPASA-N 434.561 4.949 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 1357632573 YBVBIRXGXNZASW-UHFFFAOYSA-N 449.551 4.778 30 10 IJEE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1358185551 HBIJSRJTGBVXEV-IBGZPJMESA-N 447.560 4.793 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CCC1 1358916461 MAWPTXZBBDDEEK-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCOC2)C1 1358916506 NPBZGTFDUVIKCH-JOCHJYFZSA-N 449.382 4.584 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC[C@H]1CC 1359021462 PPFRHFWEXIJJOG-MSOLQXFVSA-N 430.980 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1C(F)(F)F 1359070321 KLEPZBQWSWIZFH-SIKLNZKXSA-N 448.489 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)[C@H]1CC 1359094768 FSUWLRVLBZOQQG-PGCKSFNISA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1359112593 NUWOGGPENDYYNI-LJQANCHMSA-N 438.494 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1359113058 YRBSXENTYMULHX-MOPGFXCFSA-N 435.613 4.568 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(C(C)(C)C)CC1 1359137519 RYLOEPOLBDJMTA-NHCUHLMSSA-N 430.637 4.972 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1359191281 UFQCAFPCULIBFL-VQTJNVASSA-N 443.636 4.572 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CCCCC1 1359207773 WVZUVCQAUBCJKE-UHFFFAOYSA-N 429.996 4.844 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC(=O)NC1CCCCC1 1359231688 CEWBTHQIYDTZCL-QGZVFWFLSA-N 445.995 4.533 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1C[C@@H](C)O[C@H](C)C1 1359278671 CBIPBFFDGBRWQI-WOJBJXKFSA-N 449.599 4.644 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)Cc1ccc(F)cc1F 1359284137 TULURIOZVBBPLW-UHFFFAOYSA-N 436.304 4.917 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1359284483 RTDNTUILBLQKIY-HZPDHXFCSA-N 449.393 4.544 30 10 IJEE Cc1cccc(N2N=C(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CCC2=O)c1 1359818479 GEVKCCVYIMFFLV-UHFFFAOYSA-N 438.487 4.567 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)Cc3c(Cl)cccc3Br)CC2)c1 1360139181 CGKCIWJYXARJJR-UHFFFAOYSA-N 433.733 4.587 30 10 IJEE CCCOc1ccc(CC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1OCCC 1435088569 GQOPDBFJTPLQHF-UHFFFAOYSA-N 436.552 4.748 30 10 IJEE C#Cc1cccc(CNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 1436733774 UAKDFIAWYZEFSW-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CCCC1 1449429429 MXVOLDJRKAGTHZ-UHFFFAOYSA-N 430.545 4.801 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1457781362 SJKZXXJTMMRSNV-QGZVFWFLSA-N 439.364 4.975 30 10 IJEE C=CCn1c(SCc2nc(C)c(Br)s2)nnc1-c1ccc(OC)cc1 1458778342 UFJCFLDRZNFKGT-UHFFFAOYSA-N 437.388 4.959 30 10 IJEE CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)[C@@H](C)C#N 1461791080 DVONUYLVOQOBFU-ZDUSSCGKSA-N 440.400 4.761 30 10 IJEE C#CCC1(NC(=O)c2cc(Br)cc(I)c2)CCCCC1 1462998346 CWBBQNUSWCAWHG-UHFFFAOYSA-N 446.126 4.510 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1cc(Br)ccc1OCCC 1463911837 PCKAECYKHRHKLY-UHFFFAOYSA-N 429.307 4.873 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)C(C)C 1464870210 LQFJHSSNYVIXTO-JOCHJYFZSA-N 444.982 4.582 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)CN(C(=O)OC(C)(C)C)C1 1466530942 LZHXNJGSIJNICR-AWEZNQCLSA-N 427.372 4.854 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)c1 1470431282 GWXKLCBOZVUXMJ-UHFFFAOYSA-N 430.479 4.960 30 10 IJEE CC(C)[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccc1Cl 1474966932 CRDCOURSNWPQHB-QGZVFWFLSA-N 445.741 4.789 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(Br)cc(OC)c2)cc1 1476042007 VRCRQPKUCVBNBS-UHFFFAOYSA-N 444.329 4.916 30 10 IJEE C#CCN(CC1CC1)C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1477347984 CDPJXEWKIDOENC-JOCHJYFZSA-N 439.650 4.624 30 10 IJEE C=CCCC[C@H](NC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccccc1 1477750167 XQCBGEYJRBYFKU-DEOSSOPVSA-N 449.595 4.626 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 1477916314 WPWYQQIIPCHDKB-HXUWFJFHSA-N 431.305 4.551 30 10 IJEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1507581023 LHLGBYKTGIMTNK-IBGZPJMESA-N 430.339 4.571 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1507763899 FWKSIRMBAKGWQA-VAXXYWNWSA-N 442.510 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@H]1CCCCO1 1507763970 IBAWRKDYZDQRNE-MFSJNOQSSA-N 426.536 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(CC(C)C)C1 1507817910 RGVSXCJKBOXGGI-NRFANRHFSA-N 425.621 4.724 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1F 1507836702 WWAGLHILUBZDJF-IBGZPJMESA-N 429.540 4.702 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(Br)c1 1507838158 LJBZZUGOOZAVOS-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2ccccn2)CC1 1507878315 LGCWLNYFPROYNS-UHFFFAOYSA-N 433.556 4.535 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](C)C1)c1ccccc1 1507925116 ZDXMMCHXWAPKGU-UEXGIBASSA-N 437.975 4.967 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1507926877 KQUCWTMZGPGAJV-UHFFFAOYSA-N 432.616 4.875 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1507938914 KWNGYCFTTZKRHE-UHFFFAOYSA-N 436.579 4.704 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)cc1F)C1CC1 1507988450 SJSKJHZTCVHJEP-UHFFFAOYSA-N 444.352 4.697 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1Cc1ccc(Cl)s1 1507998538 GRRNUHABCURKLM-UHFFFAOYSA-N 427.961 4.642 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H]2CCC[C@H]21)C(C)C 1508012587 HACURMJIBBJIEL-CQOQZXRMSA-N 436.648 4.751 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1csc([C@H](C)OC)n1 1508024039 FIYQGALFZSJLAB-INIZCTEOSA-N 429.590 4.616 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1523438107 BPRKKRDVSSWKOF-KOSHJBKYSA-N 448.007 4.771 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3)CC2=O)cc1 1526497519 FVYVLIWCSDZPCG-URXFXBBRSA-N 443.934 4.665 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c1 1527039816 DGONWSUUBUFJCX-UHFFFAOYSA-N 436.968 4.730 30 10 IJEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(Br)c(C#N)c1 1527158231 FQCGLYXJBNRAIP-INIZCTEOSA-N 438.366 4.835 30 10 IJEE C=CCN(C(=O)[C@H]1CC[C@H]2C[C@H]2CC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531953340 UCIDXPNLRYCRJB-NNZMDNLPSA-N 430.595 4.559 30 10 IJEE CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[C@H](CC#N)c1ccccc1 1533446808 HQAQFIXWFNXAIR-FXAWDEMLSA-N 433.335 4.671 30 10 IJEE C#CC[C@]1(C(=O)NCC2(c3cccc(Cl)c3)CCC2)CCCN1C(=O)OC(C)(C)C 1535355229 ZCZZVRZOKQQMEF-XMMPIXPASA-N 430.976 4.671 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1536538918 HHOYEHPQTSLJIH-HRAATJIYSA-N 448.523 4.533 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1CC 1539051953 KDQMJDKEFNKCQN-MRXNPFEDSA-N 431.378 4.899 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CCC(OC)CC1 1539288302 DBJXQYOZYZAPOS-UHFFFAOYSA-N 448.611 4.567 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCC[C@H](C)C1 1539347403 RXSMJLNCGZNTDT-FQEVSTJZSA-N 444.627 4.772 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c1 1539458076 IPCLMUCNQYECMI-NPFVIJTESA-N 444.984 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@H](C)C1 1539540334 LGFZZZGOUCDXST-DRSNIGMVSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N(C)CCC(F)F 1539608862 FWAAOFYXOQFJJF-UHFFFAOYSA-N 447.349 4.579 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1539812036 LPLJXRULJMMKKQ-KRWDZBQOSA-N 431.968 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1539832743 XYTJZNWYNUMHJU-QUCCMNQESA-N 443.389 4.845 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1539846197 BBAXEPOSIGKGOA-IBGZPJMESA-N 436.478 4.666 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1539917405 VBEREFWFHBSMBL-NHCUHLMSSA-N 428.552 4.839 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 1539955284 UHYPOLJJSMAZPP-UHFFFAOYSA-N 447.986 4.977 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1539958833 BALHRVUMMYCUFR-LJQANCHMSA-N 448.571 4.794 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N(C)Cc1cc(OC)ccc1Br 1539997220 ISVKKDUMZAAEAH-UHFFFAOYSA-N 442.361 4.714 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1540092634 PCMJDWZGLYOKCG-XPWALMASSA-N 439.648 4.684 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)C1CC1 1540158390 FZXZBJPSLDVBJR-IBGZPJMESA-N 431.378 4.619 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1540186917 ILQWBBDLPLNLRZ-REWPJTCUSA-N 426.605 4.900 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@@H](C)C1 1540191100 CIJQERVJMFWQTM-HUUCEWRRSA-N 439.423 4.844 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCCCC2)C1 1540885734 OMNPFNVEAOEWHU-NRFANRHFSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCc2cc(OC)c(C)cc2C1 1540919159 HZWQTXOXLIJRMQ-UHFFFAOYSA-N 440.638 4.729 30 10 IJEE Cc1cc(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)ccc1N1CCNC1=O 1543196758 FADJYNBOQRJSIH-UHFFFAOYSA-N 428.517 4.800 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 1543231451 XFCGWQZPUSRIPT-UHFFFAOYSA-N 443.450 4.521 30 10 IJEE CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1544479287 CXUPHHHVUBRSRY-XMMPIXPASA-N 425.532 4.660 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCCCC2)C1 1546106040 HFPQXVPLPJADNM-NRFANRHFSA-N 434.632 4.955 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@@H](F)C1 1555555419 CJKLQYUFXDZKFZ-JENIJYKNSA-N 445.608 4.636 30 10 IJEE CS[C@H](C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H](C)CC#N 1555832236 DDZIVQSJCSKFIW-DLBZAZTESA-N 425.558 4.607 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(Br)c(I)c2)CC1 1562322012 LNZUIHMBYZUWEO-UHFFFAOYSA-N 449.130 4.922 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C 1563453396 GKWCHUQHPCUXSH-KUHUBIRLSA-N 438.403 4.929 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 1568492152 CVHAUVSRHQFGEH-QFIPXVFZSA-N 432.911 4.550 30 10 IJEE CC(=O)CCc1ccc(O[C@H](C)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc1 1584393458 ARDRDXCYGMISTD-SJLPKXTDSA-N 446.469 4.935 30 10 IJEE C=CCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1587111446 PKLRGTVBYFNPAE-RUZDIDTESA-N 426.516 4.877 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)Cc1c(F)cccc1F 1587773549 NGQQGKVANQUSAU-UHFFFAOYSA-N 448.521 4.625 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC(N(C)c2ccccc2)CC1 1587777313 AKYMQCUOILMTLQ-UHFFFAOYSA-N 433.625 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1=CCCOC1 1589608944 RJLLVCISCQDLSM-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1593704137 QGKRIFAKQNVJAA-WOJBJXKFSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1594491999 QOBIEOBCPVPGJG-IBGZPJMESA-N 440.588 4.609 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)N[C@H](C)CC)C1CC1 1595033191 DHWMQOKNJACTGE-DLBZAZTESA-N 441.645 4.591 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CC[C@@]2(C1)OCc1ccccc12)C(C)C 1595166403 STRJJWPDFMDCPE-IGKIAQTJSA-N 449.643 4.736 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCSC1 1595190814 IBGKAWUGOZXWAM-AWEZNQCLSA-N 437.382 4.778 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(C)(C)C)C1 1595664943 MCDVXSAXMJZBDF-JOCHJYFZSA-N 448.615 4.625 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCC[C@@H](C)C1 1595793534 MTLLYJZYFLBMKT-OFNKIYASSA-N 443.632 4.784 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCOC1 1595854451 BZXJUIRRJMTOPV-CQSZACIVSA-N 427.401 4.644 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](C)C2)c1 1597875537 ILVHVZXZOGURHC-WMZOPIPTSA-N 432.973 4.640 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2sc(C)c(C)c2c1=O 1613269756 LPHPOVOJOFSDSY-UHFFFAOYSA-N 433.986 4.953 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC2(OC)CCC2)C1 1617472677 FYFRGJABRNHJDK-RTWAWAEBSA-N 439.629 4.886 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnn(-c2cccc(Br)c2)c1C)c1ccccc1 1618588411 CMIDFDIETCKNTK-MHZLTWQESA-N 444.354 4.797 30 10 IJEE C#CCN(C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1)C1CSC1 1622923281 NPSYZLDDYIIQJW-UHFFFAOYSA-N 445.422 4.720 30 10 IJEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1)[C@@H]1CCCc2ccccc21 1623114470 NWRMXAMWNMBOFZ-HSZRJFAPSA-N 439.581 4.773 30 10 IJEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl)c1ccccc1 1623310940 GXACIEZVXAURQF-JOCHJYFZSA-N 438.936 4.635 30 10 IJEE C#CCOc1ccccc1NC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 1623831670 KTEDWRMKYYMQAC-UHFFFAOYSA-N 430.504 4.950 30 10 IJEE C[C@](O)(C1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1)C(F)(F)F 1624023487 BELDYHIFSLMGBP-NRFANRHFSA-N 433.430 4.908 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1624852815 GMEVVRNHMJMUPF-LJQANCHMSA-N 428.517 4.636 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(CCC)cc3)C(C)C)ccc2c1=O 1626558582 NSLAGFFPWUXOGR-QFIPXVFZSA-N 435.593 4.951 30 10 IJEE C#C[C@@H](NC(=O)c1nccnc1SCc1ccccc1)c1ccc(Br)cc1 1628542836 KHOFRRGJOPCGFO-GOSISDBHSA-N 438.350 4.636 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1633575520 WCZAGRKXIONZCV-RBBKRZOGSA-N 447.938 4.563 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](c3ccccc3)C3(CO)CCOCC3)c2)cc1 1639176231 ICHNZSUIQOEKEG-VWLOTQADSA-N 442.515 4.611 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 1640538955 OGTPTRRLTMBGQM-FGZHOGPDSA-N 447.000 4.651 30 10 IJEE COc1cccc([C@H]2C[C@H](NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)c1 1640761816 ATMYJDRFAZROKM-XGAFWQRZSA-N 437.971 4.889 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(Br)cc1F 1641841488 ZDKLYKUGUOYCTH-AWEZNQCLSA-N 444.304 4.830 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2(C)C)c1 1644482303 UUPYHRGINCHZCH-FQEVSTJZSA-N 429.969 4.545 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C2(C(=O)OC)CC2)cc1 1651887695 SOKSNONJITUHOF-UHFFFAOYSA-N 449.576 4.848 30 10 IJEE C#C[C@H](NCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1658082442 RNVRIDWULIWVCA-INIZCTEOSA-N 435.952 4.693 30 10 IJEE C=CCCC1(CNC(=O)Nc2cc(Br)ccc2N2CCOCC2)CCCC1 1658459091 OCSBTVAICBLPKJ-UHFFFAOYSA-N 436.394 4.934 30 10 IJEE CN(C[C@@](C)(O)c1ccccc1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1658936710 BHHNLUZAZFJXTP-RUZDIDTESA-N 433.483 4.648 30 10 IJEE Cc1ccccc1-c1cnc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)s1 1659620266 COCDABXDYGSIFO-UHFFFAOYSA-N 431.565 4.776 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c(C#N)cn1CC 1662770503 DIYPWQOBSNIQMG-DOPJRALCSA-N 428.920 4.729 30 10 IJEE Cc1c(S(=O)(=O)NCc2cc(F)c(C(F)(F)F)cc2F)sc2ccc(C#N)cc12 1663698212 DDVCXSSNRMJNHU-UHFFFAOYSA-N 446.422 4.857 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 1668481246 UVIVLAWVXVLRSA-UHFFFAOYSA-N 425.382 4.535 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H](CC(=O)OC)c2ccc(Br)cc2)c1 1668760142 BXHPSPPGUYTQHA-IBGZPJMESA-N 447.329 4.830 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 1669405845 NSURKSOBFGOCTO-LBPRGKRZSA-N 428.398 4.910 30 10 IJEE CCOC(=O)CCN(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1669509175 HFZIJRLHRXKCLO-UHFFFAOYSA-N 435.402 4.786 30 10 IJEE COc1cc(C#N)ccc1NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1669952833 CLJCIWCSOJHWGC-OAQYLSRUSA-N 432.549 4.549 30 10 IJEE N#Cc1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1Br 1671214226 BKGBYZVZNZSRHP-UHFFFAOYSA-N 437.297 4.616 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1671437846 FUGOJBFOEDSTDD-IYARVYRRSA-N 438.553 4.887 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(C(=O)OC)c1Br 1671592643 VPPHYGBKGPSXGV-UHFFFAOYSA-N 433.302 4.778 30 10 IJEE C=C(C)c1cccc(NC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)c1 1673605418 WJBXETLTFMOUKY-HXUWFJFHSA-N 429.561 4.647 30 10 IJEE C=CCc1cc(CNC(=O)NCCc2ccc(OC(C)(C)C)cc2)cc(OC)c1OC 1676275340 SNZWKPJKOWVOHY-UHFFFAOYSA-N 426.557 4.652 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC[C@H]2COc2ccc(Br)cc2)cc1 1682442327 JUGHFWKFVSACDR-IBGZPJMESA-N 445.357 4.767 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1c1ncc(Br)cn1)c1ccc(Cl)cc1 1683675362 AAZVQMVUTPJCFD-SJORKVTESA-N 433.737 4.504 30 10 IJEE C#C[C@H](NC(=O)NCCNC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1F 1683688814 ICGVOZLTJRKGNI-QHCPKHFHSA-N 435.930 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1689856168 KWHIZLXSPXSCFS-SNYIIPAISA-N 449.624 4.568 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)CC1 1690382318 JVEHNIJCCCKJOU-UHFFFAOYSA-N 439.972 4.843 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690451519 IVABSQVHLFIFRD-UFYCRDLUSA-N 429.584 4.832 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1690553875 LDYPDCDWDLULSR-DEOSSOPVSA-N 442.629 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCOC[C@@H]1C 1690586369 LQQJETGODYWNIU-LSDHHAIUSA-N 437.407 4.620 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2OC)C1 1696536987 DHCRTTDZXGWWNG-KJJMTIBFSA-N 439.629 4.742 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1705524637 QBOQNPRIXJEGDM-QPPBQGQZSA-N 449.643 4.611 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1705524638 QBOQNPRIXJEGDM-URXFXBBRSA-N 449.643 4.611 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC1CC(OC(C)(C)C)C1 1705549860 LCBFUMBSTBSSRD-UHFFFAOYSA-N 433.556 4.653 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(SC)CCC1 1705574989 VDSDHNGILOCXCT-UHFFFAOYSA-N 447.633 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCCN(C(C)C)C(C)C 1705676078 LPTQPDLAMZQFLV-HHHXNRCGSA-N 446.643 4.851 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)OC(C)(C)C1)c1ccccc1 1705743782 IEJDKBRHEHYREM-KSEOMHKRSA-N 438.616 4.914 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2nc(C(F)(F)F)cs2)CC1 1705764806 NQYUGANLQFAUDE-UHFFFAOYSA-N 449.502 4.828 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCC[C@H]2CC)CC1 1705778516 YPSFSNYWUJQDEC-OAQYLSRUSA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705789910 BSPRVNGOOGRICN-NRFANRHFSA-N 439.510 4.799 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1705796406 DUHXUWGHYMFUFS-JTHBVZDNSA-N 437.632 4.531 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nccs1 1706917733 BKUIUSHQPIOBHB-QVKFZJNVSA-N 442.976 4.706 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccccc2CO)CC1 1722312041 SDLYTJNRJUARGN-UHFFFAOYSA-N 449.986 4.673 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC[C@@H]1C 1722374034 QDTPKFFPDQZYDR-REWPJTCUSA-N 425.580 4.862 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(C)c1 1722420316 HWNIGIVRWXMUOX-UHFFFAOYSA-N 448.636 4.913 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(C)(C)C 1722500555 CHIIXUDBGIBKCK-NFBKMPQASA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCC(C)CC2)nc1 1722515074 HNRAERWSPFATIV-JOCHJYFZSA-N 438.620 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1722517420 RIPWCBPJDQOIRZ-DNQXCXABSA-N 437.632 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@H](F)C1 1722517719 XHAXLKCUGBIEQI-MKXGPGLRSA-N 435.588 4.589 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCc2sc(C)nc2C)CC1 1722581740 CWMYRYDPXDEAAZ-UHFFFAOYSA-N 425.577 4.726 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@](C)(CC)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1722598156 ZZGGSKUGYNQSJR-RZFJZAQRSA-N 438.616 4.917 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1CCC1(O)CCC1 1722674882 HFYBSIZNZUBWAF-UHFFFAOYSA-N 444.938 4.871 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)C(C)(C)C2)c(C)o1 1724156613 CBYDVBQZFXVJSQ-QLXKLKPCSA-N 447.583 4.807 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1727682598 DFXMCERQVFLFFZ-MIZPHKNDSA-N 434.632 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCN1CCCC 1740538272 LEIWGRMNEPGBJV-VXKWHMMOSA-N 444.627 4.914 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](N2CCCCC2)C1 1740583836 AUSSBASDXSZMBB-SFHVURJKSA-N 432.399 4.730 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C)s1 1740729166 BXVVDTOUHQJUEG-XMMPIXPASA-N 436.581 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)C1 1740753749 NQSYMESVHQQXIN-LEDOBFOHSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CCC 1740758206 VEPDOACBXFASAD-VIZSFHNOSA-N 434.588 4.737 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C(C)C)C1 1740787938 MICPEWUOLRVQGL-ICSRJNTNSA-N 444.645 4.585 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1ccco1 1740816536 HODDOEIOJJBMQF-HOTGVXAUSA-N 435.956 4.893 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1740821226 FOELKQYHJCCMJR-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](CC)OC)CC1 1740836832 NRVAFHMWLVAWLC-FQEVSTJZSA-N 436.556 4.945 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2nccs2)CC1 1740842153 OMSBCTUFMPQGRX-UHFFFAOYSA-N 425.627 4.980 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740848908 UIKSBMDYYCRRLY-UGKGYDQZSA-N 441.595 4.976 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC[C@H](C2CCC2)C1 1740871599 IPNOCTCISUXUSV-GOSISDBHSA-N 430.980 4.826 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C 1740927579 VRFIZSIXPZWEOH-IRLDBZIGSA-N 429.653 4.638 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC(C)(C)C 1740937469 ZWKBZHNHHMABEO-NHCUHLMSSA-N 444.620 4.840 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)CCCS2)C1 1740984871 LBZHUVOHUUKRQQ-UGKGYDQZSA-N 449.020 4.578 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC#N 1741415283 BPIOYQAMBZELCS-FTRWYGJKSA-N 433.959 4.927 30 10 IJEE C[C@@H]1C[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CCO1 1742951260 HNJIEPSSSCYSJX-GGPKGHCWSA-N 441.551 4.502 30 10 IJEE C[C@H]1CCC[C@](Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)(N(C)C)C1 1743015767 BDVCVMBOETWFPP-FNZWTVRRSA-N 434.632 4.954 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)N1CCC[C@H](C)C1 1743915405 DNVHMMXRLHTSMV-QZNHQXDQSA-N 436.648 4.926 30 10 IJEE CCC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C#N)C2)CCC1 1744312487 CDNUKMHEXOBCIX-FQEVSTJZSA-N 437.588 4.598 30 10 IJEE CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1744824873 HFYWVDHDNHFKLB-KXBFYZLASA-N 440.473 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C(CC)CC)N(C)C 1748652299 ZEFQJKIKOJGHQF-JXFKEZNVSA-N 446.437 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1748657783 JGJHBMSLWVIRDK-NOXFTYBFSA-N 431.584 4.793 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1748703228 XPMHWLPROMKVBY-HXUWFJFHSA-N 434.506 4.859 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1ccc(Cl)s1 1748739592 CZRPHTBLEKTLQS-UHFFFAOYSA-N 430.961 4.727 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1748751382 VSKCWBLWVMLRBC-NJDAHSKKSA-N 443.636 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CC=CCC1 1749132647 BMEXDODVWXWNMA-IMWIBFENSA-N 442.554 4.921 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(C)ccc1F 1749133501 MLMIAKIMWJENFM-AUSIDOKSSA-N 440.588 4.996 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(NC(C)=O)nc1 1749144445 ZQKBLQARZMDBDL-UHFFFAOYSA-N 444.583 4.552 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCN(CC)CC2CC2)CC1 1749181995 HOHQSPSDEWVMLQ-UHFFFAOYSA-N 432.616 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)CCC)CC1 1749358477 AOWJOJHESMDHSG-UHFFFAOYSA-N 427.568 4.572 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1749465669 HEFHPVLCSNDRQK-IBGZPJMESA-N 427.593 4.746 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccc(F)cc1)C1CC1 1749527408 CSIXTIPNTXKNGU-MTNREXPMSA-N 442.579 4.958 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(C(F)(F)F)c1 1749561486 OSLAHBRYMRIOIB-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1751086662 FVWNJSSEXFUSEA-QAPCUYQASA-N 441.651 4.924 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1cccs1 1760104076 RNRNTGBBCRWKGT-MWTRTKDXSA-N 440.638 4.703 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1760141720 GCWQZHDNMHQVJU-FQEVSTJZSA-N 438.616 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1760414877 GXHQOQKSRBPOFY-WOJBJXKFSA-N 430.666 4.852 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](OC)[C@@H](C)CC)C1CC1 1760470240 YPLBZDPWQBKHHU-KXBFYZLASA-N 433.394 4.924 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCC[C@@H](C)C1)C1CC1 1760471917 NUHSRRDVWGGAQO-GOSISDBHSA-N 429.012 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(C)s2)C1 1760536604 CUVQGQSCCRWVDL-QGZVFWFLSA-N 444.988 4.807 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl 1765024513 ASTYZKXGKKGPNH-OXQOHEQNSA-N 436.947 4.569 30 10 IJEE CCC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1765552712 GGJOMNVUDVLUPW-XMSQKQJNSA-N 425.577 4.526 30 10 IJEE CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1765693629 SFZYJIKUHCQVQO-UHFFFAOYSA-N 448.596 4.604 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1765780310 AKSSKORDSFWVAP-AVRDEDQJSA-N 449.958 4.500 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)C1 1766479863 AOPPATJWXFXOCK-ICSRJNTNSA-N 435.597 4.620 30 10 IJEE C=CCOc1ccccc1C=NN=C1NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)S1 1772742306 LGFDDKVCZDRWRL-GOSISDBHSA-N 434.348 4.722 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861069470 YUJHPAFNSJTOHX-QGUORLBXSA-N 432.605 4.869 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccccc1 1861340476 HDBIRDREBIIQRK-JOCHJYFZSA-N 441.528 4.551 30 10 IJEE CCCCCCCCCCNC(=O)CNC(=O)COc1ccc(OC)cc1C(C)(C)C 1861623464 WSXHWEATTBFRNA-UHFFFAOYSA-N 434.621 4.745 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862414215 VABSYWFQKJZPHH-LJQANCHMSA-N 429.419 4.944 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C(C)C)cc1 1862469471 NXQMMVSNTQOSAI-LJQANCHMSA-N 444.325 4.835 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862591337 HEVOLKUCPBKYNM-XMMPIXPASA-N 443.499 4.612 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649951 KHEXEJGZYTWHPM-CVDCTZTESA-N 431.463 4.736 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)cc1O 1862677177 ANNDTQDYRBHHCU-QFIPXVFZSA-N 439.483 4.841 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Br 1862681361 YLHWKYDZHCIOGU-SFHVURJKSA-N 432.289 4.823 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccc(CC)cc1 1864751273 ZEYBHKQXOFYGJY-QFIPXVFZSA-N 438.616 4.945 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866695928 MBFICQJLSJMZMG-JWQCQUIFSA-N 440.547 4.593 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCC[C@H](C)C1 1870532366 VIZFKMXLYRZCQO-QFIPXVFZSA-N 447.664 4.736 30 10 IJEE CCCCCCCCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccccc1 1871026546 POBVPRLVSYWKJZ-UHFFFAOYSA-N 441.601 4.664 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(OCCCN(C)C)c3C)C2=O)c2cc(OC)ccc21 1871451103 CWNZICCLZCEXMB-OYKKKHCWSA-N 434.536 4.925 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)c1ccccc1)S(=O)(=O)CCCC 1872067449 WBHHOSYVMHQDPG-QFIPXVFZSA-N 432.561 4.822 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(OCC)cc1 1872093330 RLVDLIHPHRSXRJ-HSZRJFAPSA-N 444.597 4.632 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCCC 1872155177 GUNMRZRTBFKPBN-QHCPKHFHSA-N 449.661 4.792 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872247274 OSGJUZOHXATOJV-DYESRHJHSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872410560 FFXOIYCGUUVNEP-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872507883 NSPNKLPGCSRDGX-IERDGZPVSA-N 434.989 4.879 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 1872760195 IYOXMPGUPLBONT-IWHGQQBYSA-N 435.461 4.625 30 10 IJEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 1872776764 WXDDHMUMDYLHOK-QVNOTHCHSA-N 438.480 4.865 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(NCc3ccccc3C)ncnc21 1873618876 MGQWZLIZFHHUSY-UHFFFAOYSA-N 437.507 4.666 30 10 IJEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Cl)cc1 1874244862 NKAIMOMTNKWTCJ-ZVHZXABRSA-N 431.005 4.657 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(OC)c(O)c1 1874300108 IRQMUCFGWCPORR-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCc1ccccc1 1874402900 ODGUNTNLBBKMRF-YZSQISJMSA-N 442.544 4.936 30 10 IJEE CCOc1c(Br)cc(/C=N/n2c(CC(C)(C)C)nnc2SC)cc1OC 1874435703 SSGVVIOOWWEOAJ-RGVLZGJSSA-N 441.395 4.641 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874516015 BNCLONAWXQRTOD-VULFUBBASA-N 444.564 4.812 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2-c2ccco2)ccc1OCc1ccccc1F 1874559865 SYJIYWLDBHYVFC-ZMOGYAJESA-N 438.484 4.826 30 10 IJEE CCOc1ccc(CCc2nnc(S)n2/N=C/c2c(O)ccc3ccccc23)cc1OC 1874568997 BQXOSRLRFQHKIU-MFKUBSTISA-N 448.548 4.500 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)N[C@H](C)c2ccccc2)c1 1874572502 QJVDPPGIPQMUEJ-CLHDZIPGSA-N 445.515 4.856 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1OC 1875098755 OGJICXQJHCNDTH-DHZHZOJOSA-N 447.443 4.656 30 10 IJEE O=C(Cc1ccc(F)cc1F)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1875146818 JGPIARQVYNXLDX-YCRREMRBSA-N 436.410 4.780 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccccn1 1875176382 FWAFNTOQZZLHPQ-XYOKQWHBSA-N 433.460 4.613 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)c(OC)c1 1875176870 VCNKOGHUZOZYGU-YRNVUSSQSA-N 425.437 4.604 30 10 IJEE CCN(CC)c1cccc(OCC#CCNS(=O)(=O)c2cccc(-c3ccccc3)c2)c1 1891821411 VSOCCYGJHMQVMX-UHFFFAOYSA-N 448.588 4.561 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1892137224 ZNCJEULGBMHPJC-NHCUHLMSSA-N 427.957 4.552 30 10 IJEE C#C[C@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C1CCCCC1 1902353297 HAZWMGNOXRJJOJ-VWLOTQADSA-N 442.559 4.756 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 1909322865 RHTDASDDKLVSSU-SREISXPZSA-N 426.557 4.680 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1944456776 FCRBQQYAFSPDLA-BXTJHSDWSA-N 447.498 4.715 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCN(c3cc(Br)c(C#N)cc3F)C2)C1 1965552993 QSRFDWAIDOWYHF-CYBMUJFWSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2055774841 MCNVCRZLPNSGQU-MCFFVMPBSA-N 448.568 4.852 30 10 IJEE CSc1ccc([C@H](n2nc(C)c(C=NO)c2I)C2(C)CC2)cc1 2080101417 FVKSMSVCMZUBOF-HNNXBMFYSA-N 441.338 4.716 30 10 IJEE C=CCN(CC[C@H](Cc1cc(F)cc(Br)c1)NCC)C(=O)OC(C)(C)C 2099287539 KZDMYIJCMAQCJE-GOSISDBHSA-N 429.374 4.922 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)C3CC4(CC(OCc5ccccc5)C4)C3)C2)OC1(C)C 2115718025 IGSLNEFVDBELKT-UHFFFAOYSA-N 437.389 4.552 30 10 IJEE CCCCCC#CC[C@@H](NN)c1cc(I)ccc1Br 2139046243 KQXTXMJJEAUPBU-OAHLLOKOSA-N 435.147 4.532 30 10 IJEE CC[C@]1(C(=O)Nc2cc(Br)ccc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2181142459 WVJOFVHGOZOCHG-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181143754 LRICSMFCJAJBEN-HOCLYGCPSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCC2)N(Cc2ccc(Br)cc2C#N)C1 2193438625 JREQLVQIMWESKS-GOSISDBHSA-N 434.378 4.733 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1ccc(Cl)cc1 2212453849 YJPLQLHURYZCHO-JTSKRJEESA-N 427.928 4.759 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](Nc1cc(Br)cc(F)c1C#N)C2 2234581739 FYWPEPJWPNTHPQ-GDZNZVCISA-N 438.341 4.907 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2235731215 PPXZRYAPEVDCDM-IMFGXOCKSA-N 435.406 4.672 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C=O 2243899723 KZSUIEVVOIDJDB-CLOONOSVSA-N 448.563 4.520 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](O)C#Cc2ccc(Cl)cc2)C1 2248459307 WILWRZGHJXQFGZ-QFIPXVFZSA-N 441.955 4.506 30 10 IJEE CCN[C@H](C#Cc1ccccc1F)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2255253837 NPXABEZUZVVUGE-WUMKDDEVSA-N 440.559 4.654 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)c1 2255870608 MWDVZIPBVJMPCX-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1 2267174838 HJSJRJRBXACCFJ-SFHVURJKSA-N 437.364 4.874 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)ns2)OC1(C)C 2282054320 PFVSXQUAGNFQRJ-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC1(C)OB(c2cc(Sc3ccc(Br)cc3)ccc2[N+](=O)[O-])OC1(C)C 2282931533 GFCKSIBPIXMYAV-UHFFFAOYSA-N 436.136 4.808 30 10 IJEE C=CCN1C(=O)SC(=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)C1=O 2293999087 VBGKMONDAFZWEV-UHFFFAOYSA-N 439.489 4.585 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@@H](O)C#Cc2ccc(Br)cc2)C1 2296271449 DOUXBOPNYVOSTR-LQBOVUBWSA-N 434.374 4.589 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CC1(C)CN(C(=O)OC(C)(C)C)C1 2296271932 HEZZNPLQDPDKHP-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](F)[C@H](C)CNC(=O)OC(C)(C)C 2296278908 JIZCJUHJJXAESZ-ATZDWAIDSA-N 441.385 4.668 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296602942 RMFMILGTAWRSEC-JOCHJYFZSA-N 432.476 4.705 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)SC(=Cc2cc(OC)cc(OC)c2)C1=O 2297485896 JXUBZDNWDADAAY-UHFFFAOYSA-N 445.924 4.901 30 10 IJEE CCOCCCN=C1Sc2nc3cc4c(cc3cc2CN1Cc1ccccc1)OCO4 2297553899 JNJPMCXNZSRZNV-UHFFFAOYSA-N 435.549 4.854 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccccc2Cl)cc1[N+](=O)[O-] 2318571517 MGJWEOPJJRQWRA-UHFFFAOYSA-N 431.905 4.721 30 10 IJEE O=C(CSc1nncn1N=Cc1ccc(-c2ccccc2Cl)o1)NC1CCCCC1 2321869593 QDKDSRKVDUWNJJ-UHFFFAOYSA-N 443.960 4.615 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2[C@H]2CCCO2)cc1OCc1ccccc1Cl 2321884126 XZRAARZYSVKHFB-GOSISDBHSA-N 444.944 4.542 30 10 IJEE C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccc2c(c1)OCO2)C3=O 2322092487 WGDIAEAUSNSQNV-INIZCTEOSA-N 427.456 4.945 30 10 IJEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCN(CC)CC)C3 2322170739 FCXOMXDQGJWYRE-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(-c4ccccc4)cc1)C3=O)CN(C[C@@H](C)O)CO2 2322371690 PQJWIKLHQOWRIG-QGZVFWFLSA-N 427.500 4.811 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)C=Cc3ccc(F)cc3)CC2)c1C#N 2323038309 RCXOFCNJWYBXGJ-UHFFFAOYSA-N 439.556 4.947 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)o1 2323101701 SWJFRYRWIPQTQW-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)c1 2323177708 GRYUMHRABBVPEW-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)c1 2324035095 BMRMMBHOBJSDOT-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE COc1ccc(C)cc1-c1csc([C@@H](C#N)C(=O)C=Cc2ccc3c(c2)OCCO3)n1 2324572473 NSOPTVGUJVJKHK-SFHVURJKSA-N 432.501 4.788 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccc(OC)cc1 2326660850 WSQUNLNAKQUECX-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE O=C(N[C@@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2)C1)c1cc(Cl)cc(Cl)c1 2328343765 RWTQPWAAFQKLCL-RTBURBONSA-N 437.754 4.780 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)c1 2328647901 XSGXGKSGLKMJPJ-UHFFFAOYSA-N 443.576 4.684 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cc(Br)ccc1O 2329854545 GRNXRNJPGKRUQW-UHFFFAOYSA-N 449.349 4.860 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(O)c2)cc1 2330653390 BTEKHQVQBVAABU-UHFFFAOYSA-N 431.477 4.733 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2[C@@H]2CCCO2)cc1 2330950852 URYUSPREMWCADV-FQEVSTJZSA-N 449.580 4.668 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C(F)(F)F)cc1O 2331141305 NTMIIJPKBUMGPE-UHFFFAOYSA-N 428.823 4.536 30 10 IJEE Cc1cc(CN(C)[C@H]2CN(Cc3ccccc3)C(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369726845 IGBWXEMMSGCLIA-XMMPIXPASA-N 448.460 4.779 30 10 IJEE C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C 22795194 KQWVAUSXZDRQPZ-BERHBOFZSA-N 449.639 4.847 30 10 IJEE biogenic,in-vitro COc1ccccc1-c1c(C#N)c(SCC(=O)c2ccc(C)cc2)nc2c1CN(C)CC2 40570007 WNTFNLDJZSASDM-UHFFFAOYSA-N 443.572 4.900 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3cccs3)n2)cc1 59038778 ZKAKQZNZELRMFU-ODSPIHKRSA-N 428.587 4.947 30 10 IJEE Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CN4CCOCC4)c3C#N)C(C)(C)C2)o1 96775142 UNMRUEDTPSQZDL-ALCCZGGFSA-N 437.565 4.570 30 10 IJEE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N[C@H](C#N)c1ccc(F)cc1F 111220325 TUPQUZQVBOUZOO-HXUWFJFHSA-N 448.395 4.710 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)c1 170014804 GTJWLOGVWILSRB-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100708 SYRBSKCVARNKOB-HXUWFJFHSA-N 437.835 4.753 30 10 IJEE CN(C)c1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170137208 KGFNKVFZSPTLMW-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143559 WZDNAYKDFUTYPS-VWNXMTODSA-N 427.500 4.906 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)c1 170183060 MTPZMRBMNRIPHV-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 170238473 QUUSSQPDUVBZMS-JOCHJYFZSA-N 449.409 4.519 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccco2)cc1C 170279549 PMGXHPJZNWQZIV-QHCPKHFHSA-N 446.503 4.754 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccccn1 170316570 IJGIEKYMMIJWNJ-HXUWFJFHSA-N 430.485 4.976 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2sccc2C)cc1 170316621 FGKCZPGVYKRLID-HXUWFJFHSA-N 434.517 4.629 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC)cc2)c1 170410600 GSKNQIPNULWMCE-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(Oc2ccccc2)c1 170457297 WFCOMFZCJRTYLY-HSZRJFAPSA-N 446.503 4.602 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1cccc(OC(C)C)c1 170475104 MIVZKOHGVDUKPO-DEOSSOPVSA-N 437.536 4.993 30 10 IJEE CC(C)(C#N)CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 405143868 WTARIXJPBDHLRK-NRFANRHFSA-N 438.549 4.651 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(c2ncc3n2CCCC3)CC1 460942099 WGTNGCSBQNILBZ-UHFFFAOYSA-N 434.563 4.886 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2Cc3ccccc3O2)n1C[C@@H]1CCOC1 461556161 DXXWZQOFZGIHTF-XUZZJYLKSA-N 430.552 4.574 30 10 IJEE CCCC[C@@](C)(NC(=O)c1cc(C#N)c(SC)nc1O)c1cccc(Br)c1 478111194 MSGLIWPQGIRYEQ-HXUWFJFHSA-N 448.386 4.979 30 10 IJEE Cn1c(=O)ccc2ccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc21 489563335 WKFGUURXDTWWMR-UHFFFAOYSA-N 440.478 4.784 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O 518314187 RTHQSVRLRZNHJA-HSZRJFAPSA-N 426.476 4.586 30 10 IJEE C[C@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 540422128 BJBJMTOMJLRTKQ-KBPBESRZSA-N 427.545 4.714 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2)cc1 549148990 NRFGYBMNRJEOPV-HXUWFJFHSA-N 445.567 4.995 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](c2ccsc2)C1 555249007 CXPIIDHYKPVNAO-OAQYLSRUSA-N 432.553 4.551 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 555249678 WWHAXOLDESBDTP-XZOQPEGZSA-N 434.515 4.556 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 558984283 SRHXBABTCJWZBP-NRFANRHFSA-N 444.645 4.646 30 10 IJEE CCc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586311626 YCRLDQNZXAIBNB-UHFFFAOYSA-N 448.544 4.944 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 789455031 HICVTZUHCDPUJL-OAQYLSRUSA-N 434.584 4.562 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 791548701 DWFIEOGWCZLWSR-QFIPXVFZSA-N 437.515 4.520 30 10 IJEE CC(=O)N(c1ccccc1)c1nc(COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cs1 803923108 YGXSVHZYIVIRPH-UHFFFAOYSA-N 435.480 4.613 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 821215582 SUQMHCYUVGFXJO-UHFFFAOYSA-N 427.501 4.512 30 10 IJEE C[C@H]1Oc2ccc(/C(=N/OCc3ccc(Br)cc3F)C3CC3)cc2N(C)C1=O 821229027 VAUKKRXCCNXXCM-ZQBDDEIMSA-N 447.304 4.663 30 10 IJEE O=C(CCSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1cccc(Cl)c1 1084145538 GBIXQWAPVFLZNL-NLVGSAIMSA-N 426.933 4.690 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2 1124145885 XELNODXMRJBHHB-UHFFFAOYSA-N 429.472 4.705 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(C#N)CC 1136560387 LSQQTQJJSAOYLF-JYFHCDHNSA-N 431.536 4.668 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc(CC)cs2)CC1 1164062062 SQJNUDGIISXULU-QGZVFWFLSA-N 442.025 4.523 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 1179906104 RCQNSODASTVJRM-UHFFFAOYSA-N 436.983 4.755 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1 1203342663 IQGZBTDWQLEFBG-HXUWFJFHSA-N 443.931 4.740 30 10 IJEE CCCCN([C@@H](C)c1ccc(C)o1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1208586309 FJDRKURZKRNDPE-AWEZNQCLSA-N 425.348 4.774 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1 1211602748 GCCJDTSVQSRQOK-UHFFFAOYSA-N 439.762 4.542 30 10 IJEE C=CCC1(CNC(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCCC1 1230962800 HLKOHZZYJORQNY-LJQANCHMSA-N 437.506 4.632 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1256625570 FQPPWJQTAWDRRD-OFNKIYASSA-N 448.542 4.855 30 10 IJEE CC(C)N1C(=O)C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 1264420580 FDWPRRTWABZEFJ-SDYXESRWSA-N 427.907 4.526 30 10 IJEE C#C[C@@H](NC(=O)Cn1c(-c2ccccc2)nc2ccccc21)c1ccc(Br)cc1 1275474774 RFUOSKHQZGWPTA-HXUWFJFHSA-N 444.332 4.957 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCO[C@H](C)C1 1286318416 UZKUIRNOCGXKAL-HXUWFJFHSA-N 434.540 4.536 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1286338306 BAVNLKKHOLMWJT-NFBKMPQASA-N 431.584 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286547908 QPKRVVXDWPNZGH-ZQIUZPCESA-N 443.539 4.885 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 1286586211 XSDKNZRJHBYFIK-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1286608877 VAIOAJYANCAVSP-OAQYLSRUSA-N 442.604 4.818 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(O)(CC)CC)CC1 1286648185 DDIDRYAZZKEHIZ-UHFFFAOYSA-N 426.605 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1286653540 AWWVGDVFAGAKDV-HSZRJFAPSA-N 444.583 4.895 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1289072364 DQCNGRJZDBDXDD-SJLPKXTDSA-N 444.352 4.834 30 10 IJEE C[C@@H]1C[C@@H](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1291020321 DOEGDVHVUCZQFH-JFHULYJISA-N 443.636 4.532 30 10 IJEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C)N1CCCC1 1292183042 CLWMKPLTAWDPOR-JOCHJYFZSA-N 432.572 4.699 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1300422632 UZGISXWKHARNJX-NRFANRHFSA-N 437.371 4.583 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC(F)(F)C1 1300564217 BNKDTMQTNAVOOF-MRXNPFEDSA-N 432.902 4.505 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nccs2)C1 1301018496 DOFANOABUORFGP-ROUUACIJSA-N 429.977 4.607 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(CC)CCOCC2)CC1 1301066464 PWAYXYJZYKFBPS-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1301145628 BVPZKUOYPMMOMN-UHFFFAOYSA-N 448.615 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(CC)C[C@H]1COc2ccccc2O1 1301146111 RXPXWVZOUAOYRI-IBGZPJMESA-N 435.572 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(OCCN2CCCC2)CC1 1301150851 CFWOUHIFSUKDBJ-UHFFFAOYSA-N 431.669 4.550 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301177082 QXJIEMVHDDJQIR-KNQAVFIVSA-N 435.616 4.561 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCN(C(C)(C)C)CC1 1301209171 OAYRDZIBFBFLSM-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN1CC 1301405314 FBZSURBEYDQNIF-NRFANRHFSA-N 439.991 4.911 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)c1c(C)noc1C 1301410263 AXSGRFQVHHYOQU-QGZVFWFLSA-N 446.555 4.885 30 10 IJEE CS[C@@H](C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1302540424 GXIWNFOGJMXJDA-LHSJRXKWSA-N 442.589 4.571 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(CC)c2)nc2sc3c(c2c1=O)CCCC3 1307261584 WCNCEEJMTLFBDI-UHFFFAOYSA-N 439.606 4.816 30 10 IJEE CCN(CC)[C@@H](CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C)c1ccsc1 1309052626 CITBOKGWFVBTIW-SFHVURJKSA-N 433.624 4.504 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C 1310862758 VBIVDWXCJOABMH-FOIQADDNSA-N 432.362 4.827 30 10 IJEE C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1c(Cl)cccc1Cl 1311802306 HKMUNDXDVJLLDJ-CQSZACIVSA-N 435.330 4.639 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 1313003538 ZKZNMAWWZKPSTC-QZWWFDLISA-N 433.515 4.608 30 10 IJEE C=CCN(C(=O)c1cccc(C2CC2)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1349330722 JPYGKCCXMZIYMT-UHFFFAOYSA-N 438.574 4.924 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)c(C(C)C)s3)cc2C1=O 1350391796 ATPFPJVRURDINP-UHFFFAOYSA-N 431.517 4.968 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2cccc(OC)c2)cn1 1351586764 RNPLMWSPVTWWSY-UHFFFAOYSA-N 449.459 4.625 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2cc(C)ccn2)cc1 1352523094 YWWAJJPZNIZXNU-UHFFFAOYSA-N 433.460 4.925 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1358923623 VIHZSWLHNMNYNC-FQEVSTJZSA-N 430.581 4.633 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1358944417 SLIGOVCDJJLWOL-JYFHCDHNSA-N 436.600 4.645 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OCC)cc1 1359098670 DLIAVRCXEYIEQJ-WWNPGLIZSA-N 440.588 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCc2ccccc21 1359107448 MKWFTCGGARXFIQ-ATIYNZHBSA-N 438.616 4.841 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359147182 XCLYPUHNVXMXOR-GOSISDBHSA-N 448.995 4.889 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1359156228 YXZAAOOPATWUAE-UHFFFAOYSA-N 430.339 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C 1359185200 OJALZLZNSBMETC-AWEZNQCLSA-N 436.387 4.521 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1359195281 JSGAAVSTWIRIJX-ZEQRLZLVSA-N 438.616 4.785 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC(=O)N1CCCCCC1 1359244386 BJGZYXNXFZEPLK-UHFFFAOYSA-N 448.036 4.639 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC(C)CC1 1359275453 URAFVYBPRNMUFJ-HSZRJFAPSA-N 446.643 4.639 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@@H]1C 1359277423 LWSREAXNWWONJK-FPOVZHCZSA-N 438.547 4.509 30 10 IJEE C=CCn1c(-c2ccccc2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1359286062 QHEWIEXZFCGYNP-SFHVURJKSA-N 447.530 4.602 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)CC=C)C1 1359318744 LJRLHYVTNPYRER-FQEVSTJZSA-N 433.556 4.984 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c1 1359863842 YLFCVZULOCQIMK-HSZRJFAPSA-N 438.527 4.571 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 1359935350 GFNFCMBKYOXPSC-XETPZZHUSA-N 444.572 4.521 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C 1434998850 WWHGKFRIMIFEQL-CQSZACIVSA-N 443.357 4.606 30 10 IJEE C=CCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccccc1 1435619930 HGILBTPYLINDAM-GMAHTHKFSA-N 433.552 4.787 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1 1443859516 YQBKURVHLNYMOA-ZWKOTPCHSA-N 444.494 4.759 30 10 IJEE CCc1nc2ccccc2n1CCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1451967379 CPUMKFPGJRGSGW-MRXNPFEDSA-N 428.458 4.948 30 10 IJEE C=CCSc1ccccc1NC(=O)COc1ccc(Br)c(C)c1[N+](=O)[O-] 1459283050 NAKVCHGPLRZWEA-UHFFFAOYSA-N 437.315 4.961 30 10 IJEE C=CCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CCC2 1466426305 QOPRIZJQMGHMDA-SDXDJHTJSA-N 445.950 4.797 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 1467799106 WIMJKLBZDBEQSH-KRWDZBQOSA-N 444.318 4.998 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 1470489947 VKFBFTZPPJXRMT-LOSJGSFVSA-N 427.548 4.723 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cccc(OC)c2)CC1 1471154887 MHUWJBQWCCVEAL-FQEVSTJZSA-N 436.980 4.512 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H]2CCCCCN2C(=O)OC(C)(C)C)cc1OC 1472269518 PSBDYNCITBTKAH-CMQXMCPJSA-N 444.572 4.569 30 10 IJEE N#Cc1ccc(N2CCN(Cc3ccccc3OCc3ccc(F)cc3F)CC2)c(F)c1 1474365284 AQWXCONAGPYIEF-UHFFFAOYSA-N 437.465 4.877 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCc3cc(OC)c(OC)cc3C2)C1 1476057544 BKCPVKNECDYCOU-LJQANCHMSA-N 435.568 4.692 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc(F)c(F)c1F 1478290207 VZXGNNGJDNLPAD-UHFFFAOYSA-N 445.254 4.946 30 10 IJEE C=CCCOCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1478350007 INIUSCLSWGJIEZ-UHFFFAOYSA-N 438.959 4.927 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1507555811 FDMITGFBACZEND-KRWDZBQOSA-N 445.405 4.823 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CC(C)C)C1 1507596332 GZHBQOGUYRYALH-UXHICEINSA-N 429.609 4.636 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1507659651 BZFGHSMVSSEKIN-ILBGXUMGSA-N 431.628 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCNc1ncc(Cl)cc1Cl 1507816761 GCMAHCGIMPKTCY-KRWDZBQOSA-N 439.391 4.736 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1507900133 HAVKNXXWGJOCBB-NBGIEHNGSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1507909147 SVAVBCUEOVPHGF-IBGZPJMESA-N 438.494 4.535 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)CC1)c1ccccc1 1507919343 CYZSJGURJWXWCU-UNMCSNQZSA-N 444.583 4.912 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](C)[C@@H]1C 1507962372 RDTLJVVWRUWEJI-ZWKOTPCHSA-N 439.585 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CCN1CCC[C@H]1C 1508009651 VNPSJWGGKVUNRC-LJQANCHMSA-N 437.613 4.692 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(OC)C1CC1 1508011256 BIKJVEXKFHOFOU-NRFANRHFSA-N 449.368 4.840 30 10 IJEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1ccc(F)cc1C(F)(F)F 1508042245 ZUOGDPHEFFJNQW-UHFFFAOYSA-N 440.485 4.856 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@@H](C(C)C)C1 1508159357 UBSUDVKFZAOPRK-OAQYLSRUSA-N 439.654 4.990 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@H](C)C#N)CCOCC1 1513636637 BZDJIRAIDXOOOB-NQIIRXRSSA-N 439.604 4.838 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccc(C)n2)C1 1516904043 AKOZNMHOUVNXLL-QHCPKHFHSA-N 446.624 4.875 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1 1519377674 XRXZONRQEVZQDS-QHCPKHFHSA-N 426.582 4.607 30 10 IJEE CC[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1cc(F)cc(Br)c1 1523557829 HPWIMIFMYJOGIG-IFXJQAMLSA-N 448.311 4.693 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)c1ccc(Cl)cc1 1525039494 XQOAMLQMJRQODG-KRWDZBQOSA-N 428.717 4.701 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(I)c1 1525235488 GPOHLDRRDRPFDT-OAHLLOKOSA-N 425.697 4.862 30 10 IJEE Cc1nn(-c2cccc(F)c2)cc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1526463689 FXWWMJPKCPHQQY-VXGBXAGGSA-N 437.359 4.959 30 10 IJEE C[C@@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCCN(C(=O)c2ccccc2)C1 1526991854 CTLXQOZAVOTNCG-AREMUKBSSA-N 440.503 4.627 30 10 IJEE C#C[C@H](NC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)c1ccc(Cl)cc1 1528060548 FIXHAFXPOZYGGV-QHCPKHFHSA-N 429.907 4.979 30 10 IJEE C=CCc1cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)cc(OC)c1OC 1528373421 ICESGSLSUCUSKB-UHFFFAOYSA-N 434.305 4.532 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1c2ccccc2CN1C(=O)OC(C)(C)C 1528685830 MAUIHJQAZHSWHX-QHCPKHFHSA-N 431.536 4.955 30 10 IJEE C=CCn1c(SCC(=O)N(C)C2CC(OC(C)(C)C)C2)nnc1-c1ccc(Cl)cc1 1529340727 GOCJJEIYUFFIGA-UHFFFAOYSA-N 449.020 4.681 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC(=O)N(CC)[C@H]2c2cccc(C)c2)cc1 1529654638 IAMHFTHRSBULOJ-RDGATRHJSA-N 434.536 4.553 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cn(C(F)F)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1534952674 WDMLLGXCNIEMND-QHCPKHFHSA-N 433.499 4.998 30 10 IJEE COc1ccc([C@H](NC(=O)c2csc(C#N)c2)c2ccccc2)cc1Br 1537376508 GCFUMZZLRYPNJD-LJQANCHMSA-N 427.323 4.910 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)c(Cl)c1 1538769439 AFVZBQATSGQILE-INIZCTEOSA-N 438.936 4.613 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC[C@H]1CC 1539300571 CYWRLLRPMAZEGA-QUCCMNQESA-N 426.511 4.836 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CCOCC1 1539337357 MYVPRKVKUGMWGW-UHFFFAOYSA-N 443.016 4.503 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C)CCOCC1 1539377796 VTMVPKLUWNERBO-UHFFFAOYSA-N 445.007 4.528 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1539392256 NVRFWQJNIYWENX-TZIWHRDSSA-N 426.580 4.849 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1539805725 OVTOVBGWUCLFOT-LPHOPBHVSA-N 425.791 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1539929370 UQMYMXJNJDZAKW-HDICACEKSA-N 430.618 4.798 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1)c1ccccc1 1539946544 BQSRWRCMNWDQLP-PKTZIBPZSA-N 449.643 4.818 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC1CCOCC1 1540140759 SMIMFRVARUPZES-UHFFFAOYSA-N 429.977 4.674 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CCc1csc(C)n1 1540180236 KQAVFLQBTACCTO-UHFFFAOYSA-N 430.581 4.583 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[C@@H]1CC 1540881604 NSNKTHMNNWFPST-UTKZUKDTSA-N 437.613 4.872 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCO[C@H]2CCCC[C@H]2C)c2ccccc2n1 1542180996 HCBVJGAMDXNRSG-IECBHUPTSA-N 446.599 4.993 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)C[C@@H]3C(=O)Nc4ccc(F)cc43)c2)cc1 1543118211 BFHNBRVJLHXWRU-QFIPXVFZSA-N 429.451 4.535 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)CC1 1544273326 IDLTWZJBOOHHEC-RTWAWAEBSA-N 434.632 4.810 30 10 IJEE C#CCN(C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C1CSC1 1557439172 RZFGFYGPRRGWQO-SFQUDFHCSA-N 449.557 4.712 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N3C[C@H](C)C[C@@H](C)C3)C(C)C)o2)cc1 1559384177 AKEZRFYSPRQWTG-HLIPFELVSA-N 429.586 4.923 30 10 IJEE CN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 1559586442 DWUUOUGFBUEUAA-QHCPKHFHSA-N 442.943 4.846 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 1559830224 GPGGAXCKWGIYNP-SFHVURJKSA-N 441.375 4.833 30 10 IJEE C=CCOc1c(Br)cc(CNC2CCC(N3CCCCC3)CC2)cc1OC 1560364437 HKSKKVPJRMZXDT-UHFFFAOYSA-N 437.422 4.909 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@H](O)c2ccc(C)cc2)cc1OCC 1560515352 URQUECZKOOYUGU-KKSFZXQISA-N 434.374 4.933 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@]1(C)Cc1cccc(Br)c1 1564067907 VAACOZGFSPLCOF-HSZRJFAPSA-N 441.369 4.768 30 10 IJEE C#C[C@H](NC(=O)c1sccc1NC(=O)c1ccc(Br)cc1)c1ccccc1 1570678025 SMCIEMJZMIYIQV-KRWDZBQOSA-N 439.334 4.867 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1ccccc1 1583037497 MYFGPQRGBJYRHX-RUZDIDTESA-N 438.527 4.963 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)c1 1584321787 NUCDKIATNAZDOB-UHFFFAOYSA-N 443.996 4.769 30 10 IJEE C=CC1(CC(=O)N[C@H](Cc2ccccc2)c2cccs2)CN(C(=O)OC(C)(C)C)C1 1585863054 BJNLPKGXZNMIIW-LJQANCHMSA-N 426.582 4.961 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 1586829271 DHNUCZWFWYWKCL-NRFANRHFSA-N 448.485 4.846 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCCC2)CC1 1587884399 WDJILZSGCFTHAE-UHFFFAOYSA-N 449.643 4.633 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1588297916 MGROYTLYYFMNPF-KRWDZBQOSA-N 445.995 4.561 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCS1 1588452079 MKGWGLJRBDYFMP-INIZCTEOSA-N 439.412 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCc1csc(C(C)(C)C)n1 1589207630 OMANNVROXAYISN-WZONZLPQSA-N 427.618 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCC1(F)F 1589223135 CZFKHKBNXQFLTD-OPAMFIHVSA-N 434.481 4.965 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC1(c2ccccc2OC)CCC1 1589669224 NXNJVBDAQQFCSL-UHFFFAOYSA-N 431.584 4.797 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCC[C@H]2CC)CC1 1594241635 WVTSUKMUPHIIBW-HXUWFJFHSA-N 443.586 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H]1CCOC1 1594473590 VPKGVWYHBCUEGI-IBGZPJMESA-N 436.556 4.945 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594573586 VOONEPHRORYJCB-RPHTVSPISA-N 428.552 4.775 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1cccc(O)c1 1594830183 URVNZEJYSPWGFK-STZQEDGTSA-N 442.604 4.692 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CCCS1 1594914074 WABHFCLOBDTQGV-GOSISDBHSA-N 425.371 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)OCC 1595191197 OJKWABBHOICLHK-UHFFFAOYSA-N 437.357 4.840 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC1(c2ccccc2C)CCOCC1 1595212320 OERBABSAFLMKMK-HSZRJFAPSA-N 436.600 4.755 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CCc1c(C)noc1C 1595250567 HHVCYSMIMQOZLS-UHFFFAOYSA-N 431.540 4.929 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595878134 JCFQPADTSWDDEY-MJGOQNOKSA-N 449.665 4.594 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1612619702 BYXYUAYGNDPQCA-QGPMSJSTSA-N 436.585 4.556 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)COC)c(Cl)c1 1616342645 PFNQXWKXTGCBIC-HNNXBMFYSA-N 440.956 4.518 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)ccc1OC 1620965725 QUHKYBZYWKVUOO-PWRODBHTSA-N 430.589 4.775 30 10 IJEE CC1(C)OCC(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CO1 1623163831 GIOQWUALBYPAHF-UHFFFAOYSA-N 435.402 4.642 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSCc1ccc(Cl)cc1Cl 1624070761 ACHVBBYCWRNOQC-KRWDZBQOSA-N 445.412 4.650 30 10 IJEE C=CCc1cc(C(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)cc(OC)c1OC 1630266100 NUPFEDRHYHDOCD-UHFFFAOYSA-N 439.556 4.568 30 10 IJEE Cc1cc(C[C@@H](C)NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 1633379786 BSLXUYDGXUOVSQ-LJQANCHMSA-N 427.552 4.573 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1634453956 QSUYERNPSIKINP-LJQANCHMSA-N 429.467 4.705 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)c2ccccc2SCC#N)CC1 1635542617 COXSIBWBWVPJNZ-FQEVSTJZSA-N 443.613 4.800 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nc2c(s1)CCCC2 1638224052 SWRFPPKQAQTNAE-UHFFFAOYSA-N 438.366 4.821 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccc(F)cc2F)c1C 1640505363 GOOILMPJJVXDGX-QGZVFWFLSA-N 434.487 4.647 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1OC 1640705651 AKYJAMUBEQAAHS-UHFFFAOYSA-N 446.916 4.906 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC([C@@H](O)c2cccc(OC)c2)CC1 1642115590 PITWODOVJIMZFZ-JOCHJYFZSA-N 449.469 4.865 30 10 IJEE C#CCOCCSc1nc2ccc(Br)cc2c(=O)n1[C@@H](C)c1ccccc1 1643487077 KLFISLMGKMXXRB-HNNXBMFYSA-N 443.366 4.510 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 1650754539 HJZJTDJJDBQNGE-UHFFFAOYSA-N 429.867 4.828 30 10 IJEE CCCN(C(=O)c1cccs1)C1CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1 1651622015 CJRQTRUNFULJET-UHFFFAOYSA-N 447.564 4.723 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)cc1OC 1652778658 FDMXLKOBMPJEIN-CRAIPNDOSA-N 431.964 4.875 30 10 IJEE COc1cc(C#N)ccc1OCCN1CCC(C)(c2ccc(Br)cc2)CC1 1654257392 AWJAZUHQKSUUMA-UHFFFAOYSA-N 429.358 4.762 30 10 IJEE COc1cc(CNc2n[nH]c(C)c2C#N)cc(Br)c1OCc1ccccc1 1657496060 DVOZJZBSFPAFEI-UHFFFAOYSA-N 427.302 4.552 30 10 IJEE C#CC1(O)CN(C(=O)Nc2cc(Cl)ccc2Oc2ccc(C(=O)c3ccccc3)cc2)C1 1657955716 OFORIVRTQSHKQX-UHFFFAOYSA-N 446.890 4.575 30 10 IJEE CCOC(=O)C[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1658381748 FWFZHNCZVXTQRD-SJORKVTESA-N 445.629 4.517 30 10 IJEE Cc1cc(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)ncc1C#N 1663853361 DAVCKXXLUDMMQG-OAQYLSRUSA-N 445.523 4.802 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CCCCC1 1665222403 CZANGORCKQZKBW-UHFFFAOYSA-N 441.597 4.908 30 10 IJEE C#CCN(C(=O)Nc1ccc(Cl)c2ncccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1668024792 YPXRBNACIQTZRK-UHFFFAOYSA-N 442.947 4.755 30 10 IJEE C=CCC[C@@H](CO)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1668318838 SVLOGDYYCXHMAO-SFHVURJKSA-N 436.434 4.798 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cccc(OCc2cccc(OC)c2)c1C 1669445659 MRKKQDZFEKUNRH-UHFFFAOYSA-N 430.504 4.916 30 10 IJEE CC(=O)N1Cc2ccc(NC(=O)Nc3cnc(Oc4ccccc4C#N)cc3C)cc2C1 1673308362 DCJDUODJARZZQI-UHFFFAOYSA-N 427.464 4.560 30 10 IJEE C[C@]1(C#N)CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1675398612 DBLSTUXCWOXJBJ-NFBKMPQASA-N 443.016 4.836 30 10 IJEE CC1CCN([C@H](CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c2ccccc2)CC1 1677172304 HFWQHMBMIHFHRO-JIMJEQGWSA-N 430.596 4.941 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H]1CSCc2ccc(Br)cc21 1677622912 YOJQKDXREAKLCI-GOSISDBHSA-N 433.371 4.801 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(-c2ccc(F)cc2F)c1C)c1ccc(Br)cc1 1678924660 PBACAHDODKTTIU-KRWDZBQOSA-N 445.267 4.717 30 10 IJEE C#CCC1(NC(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)CCCCC1 1679194021 ZUMGBPWMRWURDO-OAQYLSRUSA-N 441.572 4.843 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(F)(F)[C@@H](C(=O)OCC)C1)c1ccc(C(F)(F)F)cc1 1679305951 SWGRTYPRFWWRNE-SJORKVTESA-N 448.432 4.943 30 10 IJEE C#Cc1ccc(NC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(Cl)c1 1680873414 WOUZIVBVLAOCAO-UHFFFAOYSA-N 434.927 4.762 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1689881230 KIANMAQTVCOCGP-GOSISDBHSA-N 445.951 4.576 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CC[C@@H](C)C1 1690039874 VJSQRSGRKNWFMZ-RTWAWAEBSA-N 434.584 4.642 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(CCC)Cc1ccc(F)cc1F 1690161356 BVBIZNBTFYWWJM-UHFFFAOYSA-N 430.524 4.908 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(c2cccc(OC)c2)CC1 1690247444 AZDVJTXCVAAUDD-DHLKQENFSA-N 438.616 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCc1c[nH]nc1C 1690259475 KXTHKXALKCXDKF-UHFFFAOYSA-N 428.968 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(F)F)c1 1690268664 ULFTYOLEOLICJV-UHFFFAOYSA-N 436.510 4.905 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1OC 1690358760 KDHZHVBTTJKDQZ-UYAOXDASSA-N 432.996 4.637 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSC(F)(F)F)CC1 1690402805 QMAXZZSGOYHRDV-UHFFFAOYSA-N 448.518 4.991 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(C)C)C1)c1ccccc1 1690441698 FCENHDWSIYRPRR-YADHBBJMSA-N 444.583 4.768 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1690497411 PGIWEZJKKFZIMR-GLDPYIMESA-N 428.552 4.919 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CSCCS1 1690586317 KEJGVKJBJKSIIL-KRWDZBQOSA-N 438.569 4.574 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCS2)C1 1690690412 YDPMJAQUGKNSGO-LEWJYISDSA-N 426.630 4.920 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(C)C)C2)c(C)o1 1692959927 HGOCSSAEMMTLEU-BKMJKUGQSA-N 447.583 4.807 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H]1C)C(C)(C)C 1698356676 GHTXSIJEVHPYHQ-MBOZVWFJSA-N 427.618 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(F)CCC1 1705501665 LVHLVVCVWZNPSX-CQSZACIVSA-N 425.335 4.904 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705519822 YGYLIJJAEDNWDK-NRFANRHFSA-N 433.600 4.938 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](c1ccco1)N(C)C 1705545730 LJHIIHGVFBRRKH-LJQANCHMSA-N 449.555 4.778 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1nnc(C)s1 1705546251 GKBJKXNPHADOLZ-UHFFFAOYSA-N 443.001 4.675 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC(C)CC1 1705604054 DKWPBQDLTULBKZ-WOJBJXKFSA-N 444.023 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1 1705702440 MODBJHJBRFGYLQ-GCJKJVERSA-N 430.568 4.502 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(F)(F)F)C1 1705733741 XSCWDLWYUZXRKM-HNNXBMFYSA-N 428.886 4.970 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705744634 KHUCBOROABNZGQ-GOSISDBHSA-N 449.933 4.771 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1705748866 CPICOBPGIWCUFI-GOSISDBHSA-N 429.355 4.827 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2sccc2Br)CC1 1705779274 CBBLCFJZWONMLY-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1705786960 BYXBGKYLYMFNFH-NRFANRHFSA-N 434.632 4.978 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1ccccc1 1705847129 GLTPUZRCYSOGCB-QUCCMNQESA-N 425.577 4.776 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1nc2c(s1)C[C@H](C)CC2 1705847956 CBFWZAGGXSJXEI-QGZVFWFLSA-N 437.613 4.671 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)C1CCCCC1 1705876405 XBUMMJQRIGERMF-XMMPIXPASA-N 430.543 4.657 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705878195 KCXCYPXYXCXNQQ-BRTYFSMRSA-N 445.611 4.703 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1 1707928669 BTNZKTSVQQAJCE-QGZVFWFLSA-N 448.571 4.764 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722302177 GTLNOMJPRFLMLU-LEEZEASISA-N 438.616 4.719 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1722316295 GWFQPFHGUFJZRS-JOCHJYFZSA-N 426.580 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CC(=C)Br 1722662546 JGKNZIBKQQBSAG-UHFFFAOYSA-N 430.375 4.811 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)CCCC1 1722680521 OUQJMBUGFIYQDZ-IBGZPJMESA-N 447.624 4.569 30 10 IJEE Cc1nc(CCn2c(CC3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)sc1C 1724084047 AXBJONZHMFLTEC-UHFFFAOYSA-N 434.613 4.835 30 10 IJEE Cc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H](C)c2nccs2)sc1C 1724087999 GWJPASYSMPVYRU-AWEZNQCLSA-N 449.609 4.635 30 10 IJEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)C1 1730551759 HRUQQSXTYYZCKM-XUZZJYLKSA-N 444.583 4.514 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1OC1CCCC1 1740536489 HUQAJNYBDNHJSY-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(CN(C)C)c1 1740539186 NRFCDRMNOZURHL-RTBURBONSA-N 447.652 4.699 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1[C@@H]1C[C@H]1CF 1740648410 GJTBXQOEVSDFFM-WSTZPKSXSA-N 428.939 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCCC[C@H]1C 1740648902 LSGZBLYDFXGDDD-NOZRDPDXSA-N 431.628 4.547 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(CCC)CC1CC1 1740712912 YIABAHWEKGPBND-UHFFFAOYSA-N 439.448 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1oc(CC)nc1C 1740766276 FJBKHMRTYCDMHH-KRWDZBQOSA-N 427.524 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCO[C@H]1C(C)C 1740768538 LYUMEVRBPBBRSF-OFNKIYASSA-N 434.588 4.799 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cccc(F)c2[C@H]1C 1740778149 KMEJYJXEZNGREM-CYBMUJFWSA-N 430.325 4.875 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2ccc(F)c(F)c2)CC1 1740829647 DUVUNAGSXQDHAH-WIYYLYMNSA-N 446.542 4.710 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1740848651 NVZFFFIPOWARHP-GGPKGHCWSA-N 430.618 4.802 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1CC 1740850491 HNOBFGLBJTWJMK-RTBURBONSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(CNC(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1740852256 LIJUJRYXZWOQHC-UHFFFAOYSA-N 433.641 4.919 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccco1 1740971234 LEBYJNSUISDONI-IBGZPJMESA-N 429.524 4.667 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(SC)CC1 1748651092 IUBXTGWUPIGKFK-GFCCVEGCSA-N 439.810 4.715 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1cc(C(F)(F)F)ccn1 1748655454 YOINTROHSPUHKA-AWEZNQCLSA-N 433.865 4.713 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1748724446 SNHFYTWHWYTMIK-AREMUKBSSA-N 436.600 4.575 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CC1)C1CCC1 1748750460 HKSCALVKRXATOM-HXUWFJFHSA-N 441.620 4.575 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccc(C)n1 1748770694 DHNUOUQUFPXUBC-IBGZPJMESA-N 437.975 4.704 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCC(C)CC1 1749171568 XWUCYYISFUOJKS-HXUWFJFHSA-N 429.584 4.519 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1749312922 YLHRRIGVEALGEW-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749376376 XZYWUUFIMXGDBI-AZUAARDMSA-N 428.552 4.604 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749419707 NEBRFAVFPRLHGS-SFHVURJKSA-N 443.567 4.744 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)CC1 1749429097 FSCUNAVCFAVEFU-PMACEKPBSA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)c(F)c1 1749449080 HKCPRGVSCSWPTQ-UHFFFAOYSA-N 433.890 4.501 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@](F)(C#N)C2)s1 1751730143 IBYGSYUVICXPSO-XCLFUZPHSA-N 430.940 4.609 30 10 IJEE Cc1nc(C)c(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)s1 1751755925 CFXMVJMMPJKYCE-UHFFFAOYSA-N 432.553 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)C(F)(F)F 1760097498 GASBLHOTILYPRO-JKSUJKDBSA-N 438.494 4.863 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCCN1CCCCC1 1760106146 AACVHVBZUOYZAU-OAQYLSRUSA-N 430.600 4.607 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760131139 OUWNXAWGMIVBPZ-MISYRCLQSA-N 434.506 4.780 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](c1ccsc1)N(C)C 1760211332 FUHRDRGNKFQGND-ZEQRLZLVSA-N 445.636 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CC(=C)Br 1760297898 MVNUWVNZWVXWCG-HXUWFJFHSA-N 431.403 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)OC1CCCC1 1760319356 RZPZYDPMPBQEPP-IERDGZPVSA-N 446.979 4.899 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1760382679 WIJQSIDHSDINRK-IEGUWTFLSA-N 430.980 4.779 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](COC)C1 1760408199 FXKKFBSJPBUMJL-INIZCTEOSA-N 439.387 4.706 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(c2cnn(CC)c2)CC1 1760424405 FXWUSDQNFWLLFJ-UHFFFAOYSA-N 434.588 4.910 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1760496730 DPQGSDUKIMALGM-PZJWPPBQSA-N 443.636 4.835 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](COC(C)C)C1 1760506294 CNROUVRRROOFSS-HNNXBMFYSA-N 432.977 4.629 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760507872 MINMEKSMFZGQSP-MOPGFXCFSA-N 444.023 4.884 30 10 IJEE CCc1cnc(CCn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C#N)cc2)s1 1762680967 GYDDXXBKXICUOG-UHFFFAOYSA-N 432.553 4.616 30 10 IJEE CCc1nc(C)c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)o1 1762726213 BNWLMKUBZYEYBY-LPHOPBHVSA-N 436.560 4.680 30 10 IJEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)C1 1765381205 FJLNRWAEXDKJML-FGZHOGPDSA-N 448.615 4.528 30 10 IJEE COc1ccc(C(C)(C)Cn2c(N(CCC#N)CC3CC3)nnc2C(C)(C)C)cc1OC 1768424076 HEDKHPYSLRMGMA-UHFFFAOYSA-N 439.604 4.701 30 10 IJEE Cc1ccc(-c2nn(-c3ccc(OCc4ccccc4)cc3)cc2/C=N\NC(N)=S)cc1 1857807717 XFIJGEXSTGXZAJ-DICXZTSXSA-N 441.560 4.594 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1cnc(-c2ccccc2F)s1 1859742281 ZSNHJKARDOJQSQ-UHFFFAOYSA-N 440.463 4.807 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 1861203144 URNRIHJQLMNCAM-TZIWHRDSSA-N 436.040 4.533 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)c1ccc2nc(-c3ccccc3F)[nH]c2c1 1861428499 XABKXDBXHZYTBD-KRWDZBQOSA-N 438.547 4.964 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(OC)cc1OC 1861566624 OLZPWMZWXQXHEM-GGJDQLKOSA-N 444.616 4.965 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Br 1862422468 GCVLBKBFAMSDEB-KRWDZBQOSA-N 436.252 4.714 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2Cl)ccc1F 1862503403 WWJOFAVMVBVFCQ-HXUWFJFHSA-N 431.891 4.791 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cc(Br)ccc1F 1862511857 HQAVHLPJDWRDAE-SFHVURJKSA-N 448.263 4.800 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2c(F)cccc2Cl)cc1OC 1862573469 CZPVGCLQRWBVRC-HXUWFJFHSA-N 447.890 4.731 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCc2ccccc2C)cc1 1862602678 IAJJJYOICSUKCV-DEOSSOPVSA-N 443.499 4.878 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1 1862614388 AHUYUWUXTFRVGH-JOCHJYFZSA-N 438.543 4.653 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(F)c2)cc1F 1862637062 BTKRZRPXDNTAOL-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C(=O)O 1862679133 VVXRRWOUFHHAKR-QRQCRPRQSA-N 445.446 4.863 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 1862722011 VNIAZNCAWKTNEZ-HXUWFJFHSA-N 442.298 4.717 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2F)cc1 1862735490 MGGDBGDNPTWTHH-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862736777 OFLBLKLTBWPNJY-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1Cl 1862933680 ALGAEPGWJPGKAS-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2ccc(Cl)cc2C)C1=O 1863056433 ISMRTPGZHHFEGJ-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(NC(=O)c3cccs3)c2)=C(c2ccccc2F)C1=O 1863306174 UFAYUXMLVDUMPH-UHFFFAOYSA-N 447.491 4.518 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(F)cc2)C1=O 1863508396 YXAXJIKOVZXYAZ-UHFFFAOYSA-N 431.596 4.588 30 10 IJEE C=CCN1C(=O)c2cccc(OC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c2C1=O 1865794406 GYMDNMQTZDLXLG-DTQAZKPQSA-N 439.467 4.666 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccc(F)cc3)CC2)nc(Cc2ccccc2)n1 1867943207 CNGVRAABWNXKNJ-UHFFFAOYSA-N 443.570 4.712 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)/C=C\c3ccc(Cl)cc3)cc2)CC1 1870140620 ATCUJEXIYZFCLX-WCIBSUBMSA-N 446.942 4.681 30 10 IJEE CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(C#N)nnn1-c1cc(Cl)cc(Cl)c1 1870145382 XNWMFTJDBLHYEW-ZDUSSCGKSA-N 444.322 4.975 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)cc2Cl)cc1 1870147955 OHKUKJMXJMPIHB-UHFFFAOYSA-N 429.311 4.544 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1Cc1ccc(O)cc1 1870631092 VHMZWJCAJLNCLC-UHFFFAOYSA-N 430.548 4.664 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN(C)Cc1ccccc1 1870776373 LHEFJNBKYKQFJS-UHFFFAOYSA-N 432.564 4.823 30 10 IJEE CCCCCCCOc1cn(C[C@@H](C)O)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870836772 UVIYVSOFZTYGSO-OAQYLSRUSA-N 441.616 4.791 30 10 IJEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 1871280938 YIPYRBIQNKCYIA-UHFFFAOYSA-N 428.684 4.974 30 10 IJEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871374283 BPIONVNWERNEGF-NHDPSOOVSA-N 433.391 4.807 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(C)(=O)=O 1872157784 ORWPOUUZIRHCIJ-AVRDEDQJSA-N 429.586 4.621 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)c1cccs1 1872277063 GTVRLPHFSYKHCB-GOSISDBHSA-N 440.590 4.543 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 1872359203 GQXGHXMEAWKTNA-LJQANCHMSA-N 440.487 4.608 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(C)ccc1C 1872434682 USVRCJDPWACLTE-FQEVSTJZSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1)S(=O)(=O)CCC 1872459739 XDFBIQIJBIAYCO-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C)cc1 1872604700 AVIWBOLSCCQKCD-QHCPKHFHSA-N 448.604 4.500 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2ccc(F)cc2)C1=O 1873352519 GVFSVRZXZKSVLW-UHFFFAOYSA-N 428.463 4.783 30 10 IJEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873594530 VQICRNBUORDGHB-OYRHEFFESA-N 445.611 4.852 30 10 IJEE CCCOc1ccc(/C=N/n2c(COc3ccccc3OCC)nnc2SC)cc1 1874239495 KZNVMWGMWUGMJQ-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874263258 ORBABEJIYAAOEB-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE CCOc1c(/C=N/n2c(CCc3ccc(Cl)cc3)nnc2SC)cccc1OC 1874281382 GIWZXPBCKODRLM-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(CC)cc1 1874391689 PIZYQOZXJCIFAK-PCLIKHOPSA-N 436.581 4.667 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874445771 KIGXNTLXRMKDPV-IYHCKTHZSA-N 437.525 4.829 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874473276 VXFBLDOPOVCLSW-OEAKJJBVSA-N 435.380 4.991 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)cc1 1874528991 MQJDTRXGJJLKID-FSJBWODESA-N 427.961 4.724 30 10 IJEE CCCCCCCCC[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882520879 CJLGMQFVXZVVMG-ADXZGYQBSA-N 425.591 4.644 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc21 1890702562 HQHBHSVAYDNFSL-HNNXBMFYSA-N 428.916 4.684 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(Br)ccc3F)ccc21 1891252616 YSNNOJUWUZINTB-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1904843121 AODGPYVBAKXHAN-DLBZAZTESA-N 439.940 4.513 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@]1(O)CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 1922047195 PMYCAGPETKKFKO-UFPGJGBJSA-N 443.584 4.649 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C 1922070334 YILMANBILIEZLN-HJNYFJLDSA-N 434.621 4.834 30 10 IJEE C=C([C@@H](NCC)[C@H](O)c1cc(Br)c(Br)s1)[Si](C)(C)C 1922967760 INMSPNBQVFBXAG-VXGBXAGGSA-N 427.278 4.718 30 10 IJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 1950339717 SSPPRPJYXVTQJQ-CJFMBICVSA-N 427.589 4.739 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1962796432 JAYPNHCSSHHQAU-MRXNPFEDSA-N 435.362 4.839 30 10 IJEE N#Cc1ccc(NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)c(Br)c1 2026167065 ONMOZUNOWTXDNY-BSLVTKGXSA-N 426.314 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Br)cc1)c1ccco1 2033814594 WTRVTUYRXOTGRQ-QGZVFWFLSA-N 444.306 4.882 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 2037223345 IFAUAROKOMUGIE-JXQFQVJHSA-N 443.544 4.728 30 10 IJEE CC(C)(C)c1nn(-c2ccc(C(F)(F)F)c(F)n2)c(C(F)(F)F)c1C(=O)NC1CC1 2078843038 JOTMJZQCNRKFGJ-UHFFFAOYSA-N 438.347 4.634 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CO)c1Br 2079982285 UUOKIOAIOQZIHI-LURJTMIESA-N 435.137 4.924 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C=NO)c2I)cc1 2080034510 BTGHSTMPURKNQF-QGZVFWFLSA-N 441.313 4.673 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(C)c(Br)s1 2082349644 GWKSLEHQXUYTHL-CQSZACIVSA-N 431.396 4.637 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 2124439064 QGFQPEXQOMJSIH-UHFFFAOYSA-N 427.383 4.527 30 10 IJEE C=CCC1([C@H](NCCC)c2nc(CC)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2143951561 NJANPMCXHVXQOE-MRXNPFEDSA-N 441.414 4.589 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CN(c1cc(Br)cc(F)c1C#N)C2 2174810029 HOBDTZJOKJYYSL-ZUOKHONESA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)C[C@H]1CC(F)F 2177296861 DQLZJHZQFDPOMB-GFCCVEGCSA-N 448.283 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Br)c(C#N)c1 2180961259 OWIWEGZZLAJDHM-CXAGYDPISA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CCN2Cc1ccc(Br)cc1C#N 2197343206 TYLDCODRAATKAL-UTKZUKDTSA-N 434.378 4.590 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](C(=O)C#Cc2ccccc2Br)CC1 2235715953 DEHMJCACNBUKEX-NBEIKUQISA-N 438.337 4.793 30 10 IJEE C#CC[C@H](C[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237416990 IDHCZAYONLUGCU-MISYRCLQSA-N 435.406 4.652 30 10 IJEE C=C([C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 2243716457 MVBDDEMQPNTJQL-OAQYLSRUSA-N 432.681 4.852 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C=O 2243899725 KZSUIEVVOIDJDB-KBMIEXCESA-N 448.563 4.520 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2251935733 PICGQIUOQFPXTF-XUZZJYLKSA-N 435.561 4.559 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267569447 XUXGGPSZUBQKTN-WKILWMFISA-N 448.344 4.661 30 10 IJEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2267603936 BQAVKBVMVBGKBX-LJQANCHMSA-N 438.421 4.884 30 10 IJEE N#Cc1ccc(Nc2cc(F)ccc2I)c(F)c1Br 2271688157 JMALLSOTQQKTHM-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCc1cc(Cl)sc1Cl 2282659802 QOWBPSXLLWGRMN-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE NCCO[C@]1(C#Cc2ccccc2Br)CCCC[C@@H]1OCc1ccccc1 2293867959 NJRBKJQBJZCTRF-GOTSBHOMSA-N 428.370 4.674 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2296284976 XBRKDCNUKWCLMY-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@@H](N)C#Cc1ccc(Br)cc1 2296301696 YCTYGNUTJLOHST-RBUKOAKNSA-N 433.390 4.698 30 10 IJEE C=CCOc1c(Br)cc(C=C2SC(=S)N(CC=C)C2=O)cc1OCC 2296820900 LRDPPTHSXFMUMQ-UHFFFAOYSA-N 440.384 4.800 30 10 IJEE CN(CC(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317348567 OROBIBAZEZHQER-BUHFOSPRSA-N 432.370 4.751 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)cc1OC 2323060719 SINOFTQHMAGJLA-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COC(=O)COc1c(OC)ccc(C=CC(=O)c2cc(C)ccc2C)c1Br 2323164335 SDAJCBDVGQFVIK-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE CCCOc1c(Cl)cc(C=NNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1Cl 2323417042 BUEXXMPMZWDIIL-UHFFFAOYSA-N 445.368 4.882 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-])NC1CCCCC1 2324244795 SFAIJOOZAIQZDU-UHFFFAOYSA-N 444.434 4.597 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)cc1OC 2325703808 QLRYYXRRZBMGRG-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2327172205 CDDASZUHDSQDRT-UHFFFAOYSA-N 425.514 4.501 30 10 IJEE C=C(COCc1ccccc1)C(=O)C1(O)CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327904477 ARSBACNCFLCUJH-HCYSDIRSSA-N 443.584 4.507 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(OC)c(OC)c1 2328559443 ZBBNAQWTVZZHMO-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329282917 RWJDSGABTRBLTB-UHFFFAOYSA-N 443.916 4.599 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 2331069268 UEOOIJLBPYJSDI-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cccc(Br)c1 2331577968 SHKBSWNZUVYHRM-UHFFFAOYSA-N 445.386 4.978 30 10 IJEE N#CC1(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2)CCCC1 30830476 FIVNLPDRNYUCJV-UHFFFAOYSA-N 428.355 4.911 30 10 IJEE C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32291464 KZXMQZRTKINFFZ-MZNJEOGPSA-N 425.488 4.984 30 10 IJEE CCn1c(CCc2ccccc2NS(=O)(=O)c2cccc(C#N)c2)nc2ccccc21 33116531 RCYQUKZWMXPPBC-UHFFFAOYSA-N 430.533 4.514 30 10 IJEE CCOC(=O)c1ccc(/N=C2/S/C(=C\C=C\c3ccc(N(C)C)cc3)C(=O)N2C)cc1 33939721 HDXXPXWXALMXFL-JIHJIJIZSA-N 435.549 4.719 30 10 IJEE C=CCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 35420794 XVZQWELXZDFBAH-NSDWXSQCSA-N 444.512 4.890 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)c1 41587191 ICIJLVBRVSLJQS-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE COc1cccc(C(=O)/N=C(/NCc2ccncc2)Nc2cccc(C(F)(F)F)c2)c1 45940312 HNYRJKQLWVQBPN-UHFFFAOYSA-N 428.414 4.507 30 10 IJEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1ccccc1Cl 59265797 VWCZLWFNSRQFCT-UHFFFAOYSA-N 427.961 4.851 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccccc2OC)nnc1-c1ccc(Cl)cc1 59794972 AGPJXGIEPIUMCZ-UHFFFAOYSA-N 428.945 4.914 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)c1 169938368 SEHVPLXATYFMLT-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2OC)c1 169942577 XQWBEMODGLTNAC-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2ccco2)c1 170097701 BUQZELPLRXJEJT-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)cc(C)c2OC)=C(O)C(=O)N1Cc1ccco1 170123362 CVGLOWSBCQGJAR-QFIPXVFZSA-N 447.487 4.692 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 170130074 QKIVMOIZRIGUKE-FYSMJZIKSA-N 446.547 4.597 30 10 IJEE CC(C)Oc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170157463 SYFFBAYCELUZKI-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)c1 170182701 LYOIWXBCVMIWHA-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1c[nH]c2ccccc12 170254564 STFGDIDROPAXBS-QFIPXVFZSA-N 430.460 4.529 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccncc1)c1cccs1 170417709 GHVKVLQQJDDHAR-SFHVURJKSA-N 444.434 4.940 30 10 IJEE Cc1cccc(C(=O)[C@@H](C#N)c2ccc(Br)cc2)c1I 235918768 CRBSOTGTDWFOBG-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE N#Cc1cc(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ccc1N1CCC(O)CC1 301455984 HMQOLGMWBSLMKD-UHFFFAOYSA-N 440.809 4.843 30 10 IJEE N#Cc1cc(F)c(CNc2ccc(I)cc2Br)c(F)c1 312263921 MLIGOGZUMWDDJQ-UHFFFAOYSA-N 449.036 4.816 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Cc2sc(-c3ccccc3)nc2-c2ccc(C)cc2)C1=O 410117327 HTSYXEYHIRFEBU-OAQYLSRUSA-N 445.588 4.573 30 10 IJEE CCCc1c(NC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cnn1-c1cccc(C#N)c1 439695390 YOFUFKASZBCAKF-QFIPXVFZSA-N 448.615 4.816 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCOC1 461521001 HXDMOBIFAWZFQV-OAQYLSRUSA-N 448.567 4.582 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 508874627 RQELARPLPXYAMV-ICSRJNTNSA-N 439.585 4.564 30 10 IJEE Cc1ccc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCCCCC3)C2=O)cc1 526695611 ULKSHKCDVZFYKL-UHFFFAOYSA-N 446.576 4.632 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 568133783 ISGHOQXOIPGSTF-HFMPRLQTSA-N 444.535 4.780 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC(c2nnc3ccccn23)CC1 579293651 OZPBLOAMLZPMBZ-UHFFFAOYSA-N 449.562 4.635 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 586215693 BSIJJMFREYQQCF-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@@H](C4CCCC4)CS3)COC2)cc1 705691032 DIQOZWBVXKDITC-XMMPIXPASA-N 435.637 4.709 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCCNc3ccc(C(F)(F)F)cn3)c2)s1 740046414 GRXULILPXZPWDE-UHFFFAOYSA-N 445.470 4.612 30 10 IJEE CCOc1cccc(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC)c1 743738157 BVSYAXWQNVDWDQ-HXUWFJFHSA-N 425.554 4.682 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 745229251 ILYAJNSMYQNALB-UNEWFSDZSA-N 430.476 4.502 30 10 IJEE Cc1ccccc1-c1nc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)no1 760855795 DQKMQDCCOFXCSN-UHFFFAOYSA-N 436.475 4.705 30 10 IJEE C[C@@H](OC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 805593911 HFWAQCQMGQNVOS-MRVPVSSYSA-N 444.381 4.589 30 10 IJEE C#C[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 812751210 NKLLHBOPAXJQJE-SFHVURJKSA-N 432.282 4.996 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)SCc2ccccc2)c(C(=O)OCC)c1C 1124819607 LAMJVFNXMKYWBT-OAHLLOKOSA-N 447.578 4.836 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1 1125221387 FAPKJPDARMOQQL-UHFFFAOYSA-N 433.511 4.868 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 1125842682 UHABPCIJPSBYAM-RUZDIDTESA-N 438.527 4.860 30 10 IJEE C=CCn1c(SCC(=O)Nc2cncc(SC)c2)nnc1-c1ccc(Cl)cc1 1130060629 MKKPBAVQXKFCSI-UHFFFAOYSA-N 431.974 4.632 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 1134728261 IIFKIPMTRJZBPC-FQEVSTJZSA-N 448.592 4.896 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(Br)cc(I)c1 1134728293 JLILSXHQUDHJCT-CQSZACIVSA-N 434.115 4.625 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 1136007955 MQRKBWSSZBLOTM-FQEVSTJZSA-N 436.512 4.576 30 10 IJEE C=CCC[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1C)c1ccc(C(F)(F)F)cc1 1137721991 SSGCNVIKTAOBQR-UXHICEINSA-N 433.474 4.937 30 10 IJEE C=CCC1(NC(=O)c2ccc3c(=O)n(-c4ccccc4F)c(S)nc3c2)CCCCC1 1140820817 HSIYTICFFPYHMT-UHFFFAOYSA-N 437.540 4.822 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)C(C)(C)C 1141644783 VBXIYKZZEKGOIQ-SFHVURJKSA-N 439.364 4.572 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)CCCN1C(=O)OC(C)(C)C 1154181919 BHBRBZDUTTVTJK-UUOWRZLLSA-N 430.593 4.585 30 10 IJEE C=C1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)C1 1166321947 QTMLQSDATHKJER-UHFFFAOYSA-N 431.348 4.732 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1179836223 CARXBFMFHSYPIE-OAQYLSRUSA-N 426.582 4.538 30 10 IJEE N#Cc1cc(NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)ccc1Oc1ccccc1 1203838829 IFBNVWPRPDTSGF-FQEVSTJZSA-N 430.464 4.593 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@](C)(O)c1cccc(Cl)c1 1206203869 XDKCDYVINZEVGO-IBGZPJMESA-N 439.737 4.697 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](CO)c1ccc(Cl)cc1 1219086949 ULKWBFFFFGRFOM-AWEZNQCLSA-N 439.737 4.565 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1228146494 ALURTXAKSBAFHA-NRFANRHFSA-N 441.597 4.980 30 10 IJEE C#CCC1(NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCCCC1 1248622923 YOEDYFHBVGCJRJ-NRFANRHFSA-N 425.573 4.546 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2ccccc2)(N2CCCC2)CC1)c1ccc(Cl)cc1F 1252480619 ZOVQSMQVXYLZPA-HSZRJFAPSA-N 439.962 4.950 30 10 IJEE C=CC[C@@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1)c1ccccc1 1264229020 OEDAZQSRYJOSRA-OAQYLSRUSA-N 439.508 4.916 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc(OC)c1OC 1264633008 SHHYPMUJUAJLIN-UHFFFAOYSA-N 447.487 4.992 30 10 IJEE CCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H](Cc1ccc(F)cc1)C(C)C 1265480712 HHLAEENDKWKAFB-YKSBVNFPSA-N 425.523 4.779 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)[C@@H](C#N)C1 1265833364 CJWZKARHLRBICJ-SFHVURJKSA-N 425.573 4.621 30 10 IJEE C#C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(Cl)cc1 1275439940 CQXBNBUUKFNYNW-OAQYLSRUSA-N 429.907 4.759 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCC(C)CC1 1286277943 JIXGQPMZPVQPLA-AAXCNWCCSA-N 428.552 4.610 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)CCC(C)C 1286422355 YWCHKWBWCZSZPA-HHHXNRCGSA-N 434.628 4.893 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@H]1C 1286603292 RADCPHHXYPMUGH-NVXWUHKLSA-N 433.394 4.843 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1286605528 ZNKXOEFBRFKKFH-RTBURBONSA-N 437.613 4.725 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCN2CCCC)CC1 1286648508 FGYWVIAWKMSLAX-HSZRJFAPSA-N 448.615 4.540 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2nccnc2C)CC1 1286648578 GGAZGCXXZHHWKJ-UHFFFAOYSA-N 446.599 4.652 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccnc(C(F)(F)F)c2)CC1 1286659834 YDVYSAPPESYJQD-UHFFFAOYSA-N 445.464 4.873 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1c(C)noc1C 1286682643 BJPYRWDQRURDPG-UHFFFAOYSA-N 436.560 4.745 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286710476 YBPIVSFZJKREAB-UHFFFAOYSA-N 440.432 4.850 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCc1cccc(C)n1 1286748008 RKWIYGYOADUDTK-UHFFFAOYSA-N 430.531 4.561 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1286799362 UKNYKTQBBYTWKX-NRFANRHFSA-N 447.583 4.533 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1286827106 CXNASANWFKDYPY-JOCHJYFZSA-N 449.020 4.533 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OC)c(Cc4ccccc4)c3)n[nH]2)c1C 1290421982 RWRARNDFKUWXEE-UHFFFAOYSA-N 441.535 4.928 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccccc2OC)nnc1N1CCC(C#N)CC1)OC 1291950992 AJGBPSYPDACYQG-OAQYLSRUSA-N 425.577 4.535 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccc(C)o1 1300385440 BBCFQBUBEMKTPE-KRWDZBQOSA-N 428.334 4.692 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1Cl 1300517071 WPYSZDPWIMQUJC-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1300600926 CARIXQDFRGFVPG-WAOWUJCRSA-N 428.964 4.512 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@@H]1CCCCO1 1300602352 CHSBDIWYQMTXSQ-FQEVSTJZSA-N 435.597 4.796 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1300948964 KFWAYBJWLGKKMM-MOPGFXCFSA-N 437.371 4.981 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1301029877 WQPJSVGATOTGOT-INIZCTEOSA-N 438.906 4.586 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1301079192 BJIZSQVCXXPHJM-DEOSSOPVSA-N 447.583 4.980 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1301127862 WCIFKLSFNYGGRT-PMACEKPBSA-N 425.596 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1oc(CC)nc1C 1301375212 LMFMENVZKFFTNM-UHFFFAOYSA-N 442.361 4.793 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1301602852 XFFCGAIFXCHOEP-RTBURBONSA-N 442.629 4.898 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@](C)(C#N)C1 1301604620 XBYRSIKBMZDMDV-FQEVSTJZSA-N 446.418 4.757 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)C1 1302667816 GPBOOPBETUXJBD-KNQAVFIVSA-N 427.643 4.824 30 10 IJEE C/C(=C/C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1cccc(F)c1 1304252437 MTSBRQIGHUVRKD-CKIUVGDASA-N 431.298 4.858 30 10 IJEE C#CCN(C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 1308633281 IHFZWHKRQCZFQL-LXHZQTKUSA-N 425.370 4.987 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 1309806956 HGJRRWNGLITFLQ-QGZVFWFLSA-N 428.432 4.990 30 10 IJEE C#CCN(C(=O)NCc1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CCCc2ccccc21 1311615612 CLMPKWVOSNEXKX-OAQYLSRUSA-N 426.944 4.970 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccc(Cl)cc1 1312937542 NSZNTWCRGBUQBS-RBUKOAKNSA-N 433.733 4.560 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)OCC 1348661735 AHKPDMIQGDFTAL-UHFFFAOYSA-N 434.473 4.663 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)SCc1nc(O)c2ccccc2n1 1351336963 YCMLRVZKZALIMG-CYBMUJFWSA-N 433.986 4.887 30 10 IJEE CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1353094363 FMOABEGWPBNFJQ-HXUWFJFHSA-N 437.559 4.652 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)cc(OC)c1OC 1356305286 RKMNAGQDPONUGU-UHFFFAOYSA-N 442.515 4.813 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccsc1Br 1358895735 PUWFKWGZUQGLMW-MRXNPFEDSA-N 443.414 4.784 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1358988222 IJXHPTKOKYIIRO-FGZHOGPDSA-N 432.612 4.911 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)CC 1359065525 SQMIUBQSSXSNRU-RPWUZVMVSA-N 435.597 4.530 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1359095320 NFIUMFGHRBAFHW-XMSQKQJNSA-N 442.579 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(C)(C)C 1359098126 XVVBLYFTJYGIFQ-KNQAVFIVSA-N 434.588 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCC(=O)N(CC)CC)CC1 1359161182 SWOUCWWIBZZQQG-UHFFFAOYSA-N 446.599 4.607 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCCCC1)C1CC1 1359247443 CACFBEZSJIUCSM-UHFFFAOYSA-N 426.561 4.706 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1c(F)cccc1F 1359263377 ABRDGZCJCNSFIE-QGZVFWFLSA-N 444.551 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1ccccn1 1359263504 DAZFGIMRCMBCGQ-LJQANCHMSA-N 437.613 4.799 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1nc(C)c(C)s1 1359275791 GAYPOTDIKOJCMY-UHFFFAOYSA-N 444.608 4.621 30 10 IJEE Cc1cccc(-n2c(C)c(C)c3c(NC(=O)CSc4ccc(C#N)cc4)ncnc32)c1 1435881232 HJAXXYNFJMALCD-UHFFFAOYSA-N 427.533 4.948 30 10 IJEE C=CC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 1436066437 XKJPXUROVZUDDR-SFHVURJKSA-N 432.973 4.806 30 10 IJEE C#C[C@H](CC)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1436650965 IFSZWAYGGOYIGW-HXUWFJFHSA-N 428.923 4.942 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1ccc(Br)cc1 1441494296 JQQCFEGGNNEJSP-INIZCTEOSA-N 440.341 4.561 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 1448392864 QNGVKGUEGFJTQY-IIDMSEBBSA-N 425.356 4.662 30 10 IJEE C#CCN(CC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1(C)C)C(=O)OC(C)(C)C 1454775372 LFBKGUCYMGACSV-SFHVURJKSA-N 438.490 4.670 30 10 IJEE C#CCN(C(=O)c1ccc(F)c(SC)c1)[C@H]1CCOc2ccc(Br)cc21 1456451042 SMQPAMFTBNUTBW-KRWDZBQOSA-N 434.330 4.909 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc1 1457482102 XDVRZSGSXZDRFT-SANMLTNESA-N 435.495 4.856 30 10 IJEE C=CC[C@]1(C(=O)N2CCN(c3cccc(Cl)c3C)CC2)CCCN1C(=O)OC(C)(C)C 1463311809 YVQITTTUHJTYBL-XMMPIXPASA-N 448.007 4.643 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccccc1 1469468730 NQRMXIKXBWWCDG-HSZRJFAPSA-N 427.976 4.754 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(Br)cc1 1470267354 JCXREZGPJDOCNP-AUUYWEPGSA-N 441.304 4.509 30 10 IJEE COc1ccc([C@@H]2CN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CCN2)cc1 1470964895 IBJFWKNBRLGZNY-QHCPKHFHSA-N 429.545 4.505 30 10 IJEE CCCN(C)C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C1 1473203624 HDRJQKOAPVBVOQ-OALUTQOASA-N 444.689 4.763 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1474198883 IEDGUIOSWZAIBZ-GOSISDBHSA-N 426.944 4.808 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)c1ccc(Br)cc1 1476180448 KMGMJTZHSQOYAY-SFHVURJKSA-N 427.277 4.578 30 10 IJEE COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1476323546 BJQUVZJHBWOLDT-MRXNPFEDSA-N 435.915 4.648 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccccc2OC)CCCC1)c1ccc(Br)cc1 1477607826 ATLPBXBQHVPIPJ-FQEVSTJZSA-N 441.369 4.943 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](CC)N1CCCC1 1507540812 DBHWIMZFXLBCBY-YADHBBJMSA-N 437.632 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1507821500 DNTFFOONKVKUIG-ZEQKJWHPSA-N 438.616 4.584 30 10 IJEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CCC(C)=C(Br)C1)c1ccccc1 1507850906 VGTMPIXTEKINOH-LJQANCHMSA-N 429.362 4.722 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2cccc(C)n2)CC1 1507896289 IQFGHSKNIRLHII-IBGZPJMESA-N 435.547 4.906 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1507910142 HPHDAZFXNVGRNK-ROUUACIJSA-N 442.633 4.638 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(Br)cs1 1507938000 WGIIRMNLAKTDLH-MRXNPFEDSA-N 425.396 4.946 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Nc2ccccc2)C1 1507942537 RVZCZYKJKUMYCZ-QHCPKHFHSA-N 433.604 4.577 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C1CCC(C)CC1 1507957221 FAEZMTFGNABMID-UHFFFAOYSA-N 434.588 4.943 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)C(C)(C)C1 1507958884 JRKCRVGQYURBGK-SFHVURJKSA-N 439.387 4.706 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)N1CCC[C@H](C)C1 1507976849 KSPNOLDUENCFRS-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCOC1)C1CC1 1507988190 KEFDZCBPCKBOSU-MRXNPFEDSA-N 431.378 4.597 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)c1cc(C)oc1C)C1CC1 1507990609 RDRMMHHFEMDAQT-QHCPKHFHSA-N 426.948 4.871 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1Cc1ccc(-c2ccsc2)nc1 1507998872 UOQRUBLLIIXODP-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC[C@H](C)N1CCCCC1 1508004004 HPQWKJMLWMPRRV-QFIPXVFZSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1(OC)CCC(C)CC1 1508004859 RGPIGVFGEAJKDH-JEPVQIMHSA-N 438.616 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1nc(C(C)C)cs1 1508009218 YNQIJRMSYBZBLA-MRXNPFEDSA-N 429.615 4.664 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCCN(c2ccccc2)CC1 1508046574 CBWAUCXOXGJMFZ-UHFFFAOYSA-N 444.402 4.672 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)S[C@H](C)C1 1508150543 DPYLUIQHRCFWQH-OKILXGFUSA-N 427.014 4.987 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(F)(F)F)on1 1513299427 CMQAGVRKKWBNRT-UHFFFAOYSA-N 432.450 4.755 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1OC 1523394985 DYHHJIJPBMRWPB-FYGXRCCRSA-N 446.469 4.687 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)CCCC1(C)C 1524930636 IOHKCCSAWNSLIC-HSZRJFAPSA-N 436.552 4.920 30 10 IJEE Cc1c(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)nnn1-c1ccc(F)c(F)c1 1527037386 BQPUBDGZISVFDZ-GHMZBOCLSA-N 427.480 4.725 30 10 IJEE C=CCCC1(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)CCCC1 1532340421 KBFHVSOGVCNXJV-QHCPKHFHSA-N 445.560 4.978 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)C(F)(F)F)cc1 1532557383 BXFZEZJAIHWMOP-UZLBHIALSA-N 433.451 4.590 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCCc2ccc(Br)cc2F)cc1OC 1537877206 UKHYFLJCJHRJLN-YRNVUSSQSA-N 448.332 4.924 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC1CCOCC1 1539102744 IVOSNVXXQHDQLM-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@@H](C)N1CCCCC1 1539342929 CEXASINKZVAKTH-GGAORHGYSA-N 437.632 4.759 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@H](c1ccsc1)N(CC)CC 1539384545 KANYIHCALPPPNR-JOCHJYFZSA-N 425.577 4.510 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1539694790 NUTSCXIRSZKNSE-LJQANCHMSA-N 425.577 4.605 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cnccc2OC)CC1 1539829140 UJDHRWVLBNSKRR-KRWDZBQOSA-N 439.947 4.680 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCc2cnn(C)c2)CC1 1539856256 WHPTYJVKKOQHAN-UHFFFAOYSA-N 448.615 4.812 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1539874371 MAWFRCOUEIKUAU-DENIHFKCSA-N 443.611 4.936 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1539926335 MSWSYADGKPELOJ-VXKWHMMOSA-N 439.648 4.995 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCSC2)C1 1539952928 LZBKNAMDFHOSHJ-LJQANCHMSA-N 436.423 4.725 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1540037714 POVKDSUEMRUQEC-GOSISDBHSA-N 448.558 4.524 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN1CC 1540139650 JFBRDKAEPBHVTN-QFIPXVFZSA-N 425.596 4.827 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N1CCCN(C(C)(C)C)CC1 1540880694 OHMAJQQKIZJWAJ-UHFFFAOYSA-N 437.632 4.859 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1540915344 KCSQOUOLCONPPT-FCHUYYIVSA-N 441.645 4.544 30 10 IJEE C=CCc1cc(C(=O)O[C@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)cc(OC)c1OC 1544980130 HBPQMZQPYJIBQQ-LJQANCHMSA-N 438.398 4.679 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1sc(C)nc1C 1545638144 HFMCHQSRFFUPMM-MRXNPFEDSA-N 438.601 4.527 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(C)C)C1CC1 1546390102 GLNJUMHOSWWGNK-UHFFFAOYSA-N 445.615 4.738 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccsc1)N(C)C 1547127321 HWYVPTIFSGIIGG-QFIPXVFZSA-N 434.613 4.808 30 10 IJEE C#CCOCCSc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 1559307896 SYXAAQPVHPRFTB-YDZRNGNQSA-N 429.561 4.735 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 1559613648 CMGMNFAROQNXHL-XMMPIXPASA-N 442.588 4.659 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 1561251704 QXJFWWYLUJKEPI-UHFFFAOYSA-N 426.376 4.581 30 10 IJEE CN(C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CCC(CO)CC1 1562989551 GFZWIFJYAIRLPZ-UHFFFAOYSA-N 430.364 4.991 30 10 IJEE CCC(CC)(CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1 1563870938 GYFJDICNWLYKSU-UHFFFAOYSA-N 442.966 4.940 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@@H]1C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1 1564406828 OXGMPFRLJHQACP-UXPWSPDFSA-N 426.479 4.550 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccc(Cl)cc1 1583550325 XDOSFGJZRDIZPV-INIZCTEOSA-N 432.680 4.532 30 10 IJEE CCS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 1584006297 DEUBTWCVTMVEJP-UHFFFAOYSA-N 436.558 4.896 30 10 IJEE CCc1nc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)nn1-c1ccccc1F 1584393512 CRIYNVMQATWXRA-CQSZACIVSA-N 445.420 4.542 30 10 IJEE Cc1nc(SCC(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)c(C#N)c(C)c1C 1585383829 HAQRQGKLVPMKKT-UHFFFAOYSA-N 425.579 4.752 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(Cl)cc1 1587678123 PBQAOTNUFUFETI-APWZRJJASA-N 443.979 4.510 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CCCCC1 1587701703 IVVWDRCHHJCDTA-UHFFFAOYSA-N 442.007 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1ccco1)N(C)C 1588198186 JYAOZGGALROVTM-HSZRJFAPSA-N 443.595 4.601 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)c1ccccn1 1588198378 QRCNUAIVWYPQLA-UHFFFAOYSA-N 435.934 4.573 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCCC1 1588266458 QGMBQNYQOCQBSK-SFHVURJKSA-N 430.980 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCSCc1ccccc1 1589228956 VPYSIESGIYPCMS-HSZRJFAPSA-N 437.638 4.559 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(F)(F)C1 1589316601 DVEFVYPSJCZGKQ-NSHDSACASA-N 443.361 4.885 30 10 IJEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(CCC)Cc1ccc(F)cc1C 1593666624 MFNWUVNRARRXDN-UHFFFAOYSA-N 441.576 4.710 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NC2CCCCC2)CC1 1594064506 OPKSOXSBLFUJAS-UHFFFAOYSA-N 427.980 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2c(C)sc(C)c2Br)CC1 1594077704 QUIKUGBOVQUUIM-UHFFFAOYSA-N 446.418 4.929 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)C1 1594477683 HXUAXACHPJMYKL-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN(CC)CCC(F)(F)F 1594913362 IUXHODSCIBSYJQ-UHFFFAOYSA-N 433.881 4.634 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCC(F)(F)C1)C1CC1 1595026620 PMJONFJCTYBNBR-GCJKJVERSA-N 438.563 4.689 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1Cc1sccc1C 1595075987 QJFSWHVIWSTORP-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCCN1CCCC[C@H]1C 1595127118 FRPGOZKAAODRRZ-OAQYLSRUSA-N 448.590 4.936 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCSC1 1595165214 CSSNZGFFOHURFI-LJQANCHMSA-N 442.658 4.537 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1N(C)CCCC1(C)C 1595239904 WHBISPPWANILBV-QHCPKHFHSA-N 432.616 4.629 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cc1 1595608756 XGWZFXKVSCDORR-AREMUKBSSA-N 447.583 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2=CCCCC2)C1 1595700024 KBGHZIQKMUHKRH-OAQYLSRUSA-N 438.572 4.634 30 10 IJEE C#Cc1ccc(C(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)cc1 1596071871 VCIQYWGUTDYJMV-QHCPKHFHSA-N 432.614 4.981 30 10 IJEE Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)s1 1613913392 UZSQVNBYKVYNJN-FXBHHXAOSA-N 425.535 4.658 30 10 IJEE C=CCc1ccc(OCC(=O)NCC2(Cc3ccc(Br)cc3)CC2)c(OC)c1 1617960877 YNEZDBGQZQJHTN-UHFFFAOYSA-N 444.369 4.704 30 10 IJEE N#Cc1ccc(CN2CCC(NCCc3cccc(OCc4ccccc4)c3)CC2)cc1 1620861009 FWIYDQDNISXGNK-UHFFFAOYSA-N 425.576 4.934 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Br 1622346732 LYUOOLWGHDEGOG-SMDDNHRTSA-N 437.197 4.625 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cnc(Cl)c(Br)c1C)C(C)C 1623632119 GPHWUQIEGRIDRZ-OAHLLOKOSA-N 429.790 4.626 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)OCC 1624573256 NQJYEPWQILQUHG-HSZRJFAPSA-N 428.523 4.570 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1Br 1624633839 HRMAMFYFMIXEOH-CYBMUJFWSA-N 437.700 4.514 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1 1625197736 XYOSKXYINIPZRN-VWNXMTODSA-N 440.609 4.610 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)CC1CCOCC1 1628980846 PAYXSLHJHRDLJU-JOCHJYFZSA-N 430.589 4.691 30 10 IJEE CC[C@@H](C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)N(C)C(=O)OC(C)(C)C 1638616300 HMVHMRWAIQXYBQ-PBHICJAKSA-N 427.467 4.592 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 1638916769 LEJLRHWPNXUTDJ-HXUWFJFHSA-N 438.936 4.554 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)cc1OC 1640839522 SVCWKZSKSYEXCW-IZUALYBUSA-N 431.891 4.666 30 10 IJEE Cc1nc(SCC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)c(C#N)c(C)c1C 1642110801 DLINHZGNELXYCW-GOSISDBHSA-N 438.380 4.517 30 10 IJEE C=CCn1c(SCC(=O)NCCSc2ccc(C)cc2)nnc1-c1ccccc1C 1652699490 YXAAIAVTPWTZMN-UHFFFAOYSA-N 438.622 4.749 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(CN4CCCCCC4)CC3)c2C#N)C1 1653145376 DOGTUTIGWBCJKP-LJQANCHMSA-N 442.673 4.661 30 10 IJEE Cc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1C#N 1653804685 HEUMHKZZAUAQAE-RADWXHQJSA-N 440.565 4.611 30 10 IJEE CCCc1c(NCc2cn3ccc(Br)cc3n2)cnn1-c1cccc(C#N)c1 1657814515 FYQFGFGKAZDACC-UHFFFAOYSA-N 435.329 4.719 30 10 IJEE CO[C@@H](CS(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)C1CCCCC1 1661963963 CESGAWYECWWWPG-DEOSSOPVSA-N 444.572 4.938 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 1662577025 HCODVUOHQUXPGF-JOCHJYFZSA-N 444.373 4.800 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1C(F)(F)F 1663247230 GGFVKSANQHTPSK-CQSZACIVSA-N 448.388 4.774 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2)[C@@H]1CCCc2ccccc21 1664826143 XPRTXBSSDAGIMG-OAQYLSRUSA-N 431.536 4.613 30 10 IJEE CC(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H](CC#N)C2)NC(=O)OC(C)(C)C)cc1 1668529452 CXIKJDMOMUAISQ-WIYYLYMNSA-N 428.577 4.711 30 10 IJEE O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1669666295 GKBCOPDXWLPYGG-KRWDZBQOSA-N 449.370 4.980 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CC1 1669780092 SNRZLYNQZFQPAV-NRFANRHFSA-N 432.536 4.889 30 10 IJEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3c(-c4ccccc4)cccc32)cc1 1670762276 DKWBFVPPGVQQAI-KRWDZBQOSA-N 431.517 4.634 30 10 IJEE C#CCN(C(=O)NCc1ccc(Br)cc1OC)[C@@H]1CCCc2ccccc21 1671944055 CMBCCTCOEJLJHF-HXUWFJFHSA-N 427.342 4.680 30 10 IJEE C#CCN(C(=O)NCCCCc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1674593352 PPSSCCVNBZUSRT-NRFANRHFSA-N 441.369 4.940 30 10 IJEE C#CC[C@@H](NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F)c1ccccc1 1674664491 RGJSWTKHAOROHK-CQSZACIVSA-N 442.235 4.671 30 10 IJEE COc1ccc([C@@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)N2CCCCC2)cc1 1675293921 FAZZOZPEECTNLJ-AREMUKBSSA-N 444.579 4.593 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)NCC3(c4ccccc4)CCCCC3)CC2)cc1 1682437990 DJNNNCLKUROFOZ-UHFFFAOYSA-N 430.596 4.678 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1684572018 ARYXUSAMQABXKV-HXUWFJFHSA-N 443.613 4.972 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br 1686661418 ATGFKXLBPYWFOE-IBGZPJMESA-N 436.394 4.548 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1689889073 YBLNIUVQALMZHL-QHAWAJNXSA-N 443.636 4.678 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCSC(F)(F)F 1689973785 PROCUXVRPFRCHN-UHFFFAOYSA-N 426.508 4.611 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1cccs1)N1CCCC1 1690067393 YMZYMQDCWNVGQN-HXUWFJFHSA-N 440.016 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1occc1C 1690198341 KYSNHPXPLXDQSS-RUZDIDTESA-N 434.540 4.683 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccnc(OC(F)F)c1 1690262853 QZIBNDYNPTWUMJ-UHFFFAOYSA-N 438.482 4.874 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1690444972 PFIDJIZSOXHNDC-GOSISDBHSA-N 440.473 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1sc(C)nc1C 1690570123 WRXPREVREUETCG-HXUWFJFHSA-N 441.576 4.973 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C)CCCC2)C1 1690686025 IICCAPAHTQUYMD-RBUKOAKNSA-N 428.552 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCSCC=C)C1 1690690314 WJZPOAWFUXDSND-NRFANRHFSA-N 426.630 4.943 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CC2)CCS1 1694502545 GLYSVKAIRODDEH-UHFFFAOYSA-N 427.643 4.824 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2c[nH]c3ccccc23)n1CCSC(F)(F)F 1698494989 BJLJPFFRZBDQDC-UHFFFAOYSA-N 434.491 4.809 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCCOC 1705482507 AURWWELANNUZAV-AWEZNQCLSA-N 439.785 4.636 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705512908 SMEZUJUXUCCAMH-XMSQKQJNSA-N 431.565 4.648 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1705525162 ZNXYHPVMXWHDNJ-YUXAGFNASA-N 440.563 4.755 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCc1cccc(C)n1 1705605725 CKMGEHVBZSQDND-UHFFFAOYSA-N 438.373 4.503 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1705735077 JAOQIMLNLQWUQP-HSZRJFAPSA-N 440.588 4.505 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1705738209 PMARRDXAHNGTTK-RUZDIDTESA-N 447.627 4.934 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@](C)(O)CCC(C)C)CC1 1705763611 ZBOIFZRHXRWRCZ-DVECYGJZSA-N 430.568 4.901 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CCOC)CCC2)CC1 1705764776 MXPJVJQQELQHLO-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@](C)(O)CC)CC1 1705784994 RMLRTAJQVXBFGA-OAQYLSRUSA-N 439.387 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1705788080 OOXNYGBJZCZATR-XMMPIXPASA-N 428.577 4.570 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC)CC1)c1ccccc1 1705795604 NQBSXAIHRDGQJL-QFIPXVFZSA-N 444.583 4.912 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1705796914 MWWDGBWDODUHHZ-MQSCRBSSSA-N 430.600 4.619 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCC1(OC)CCC1 1705862857 YBAQNASDNHYYJS-UHFFFAOYSA-N 435.547 4.939 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H]1C 1705877446 HNMXFXOKUZRGTB-BEFAXECRSA-N 426.362 4.852 30 10 IJEE CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCC(C)CC2)nc1 1709593759 HQHXJEWEPYUKCM-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE CO[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCC#N)CCC(C)C)C(C)(C)C 1711551460 FXAABCLWBQJQLL-NRFANRHFSA-N 441.576 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCN(CCC)C1 1722281897 WAXJYOPJWPKFTH-ICSRJNTNSA-N 448.640 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC1(COC)CCCC1 1722282932 PMXUZTXYQUNSMG-QGZVFWFLSA-N 430.980 4.662 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1csc(CC)n1 1722323618 GFSUUUXGDDWWFD-MRXNPFEDSA-N 427.549 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN1C1CCCCC1 1722406315 NACKLHGQFIXKMX-QFIPXVFZSA-N 426.008 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1NC(=O)CC1(C)C 1722500343 CVXYHFRTQVAHOY-FQEVSTJZSA-N 441.645 4.593 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722585946 ODMPWTJSAWMUNI-HXUWFJFHSA-N 442.007 4.792 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1722654076 PWEHVWMCRDLTHN-FDDCHVKYSA-N 442.579 4.992 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO1 1722677011 QUZBRBHAVXQLMP-OAQYLSRUSA-N 426.948 4.529 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)c1ccccc1 1722694159 MWQBKORFFFPVOM-ROUUACIJSA-N 449.624 4.631 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccoc2C)cc1 1722705435 YPAMAOCSFHBMDW-UHFFFAOYSA-N 449.580 4.785 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1722734400 FRNFODUKZHLERP-UHFFFAOYSA-N 443.020 4.635 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC2CC(F)(F)C2)cc1 1722891438 CPUISDWCTIMHGI-UHFFFAOYSA-N 443.542 4.940 30 10 IJEE CCCC(O)(CCC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1727961232 IBWJJAWOHINQNY-VQTJNVASSA-N 439.604 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)COC 1740532241 CUUFUZPBUJYPFS-MSOLQXFVSA-N 432.996 4.819 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H](OCC)C(C)C 1740540869 NFPLOSBZKMIBIN-YLJYHZDGSA-N 447.421 4.925 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC(F)(F)F)CC1 1740574124 JTNVPPCBBVNQDK-FQEVSTJZSA-N 448.489 4.763 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1740587609 PNEAWNPECWJHKY-LADGPHEKSA-N 429.568 4.666 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CCOCC1 1740599830 GHUFNOUJNNIODN-GOSISDBHSA-N 430.980 4.574 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOCCc1ccccc1 1740603296 MOZCGGTYUQOSOH-UHFFFAOYSA-N 448.636 4.994 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1740713218 IUDVVASAKXNGAO-HNNXBMFYSA-N 429.952 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740732849 SBGQWBPWNKOYQF-RZIGYZOXSA-N 447.671 4.926 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740861026 ZBOBVWFBUPYQDO-UHFFFAOYSA-N 440.979 4.573 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C)C1)C(C)C 1740926116 FZENLYQHUZZCLX-ZJSXRUAMSA-N 432.616 4.752 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1ncc(C)s1 1740935053 AEUHRXXGRCDUAX-WIYYLYMNSA-N 437.613 4.586 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCOc2cccc(Cl)c2)n1 1742321072 APNOOJVRQOWWRQ-UHFFFAOYSA-N 436.947 4.511 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](OCC)C2)CCC1 1745315670 CLVSVZJVTSTXEQ-JOCHJYFZSA-N 437.588 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)CN1CCCCC1 1748651538 OQBPQNZTMMGNBP-PMACEKPBSA-N 439.673 4.855 30 10 IJEE C=C(C)COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N 1749213582 OAKAJKXPXXXVNY-KRWDZBQOSA-N 436.585 4.566 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@H](C)C1CCC1 1749253070 JKNQWDWWDONBRR-CYBMUJFWSA-N 426.790 4.814 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCCC(C)C)CC1 1749342892 RIFPHSCIJBPGHG-QHCPKHFHSA-N 440.588 4.646 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)C)CC1 1749354575 UJULRWRXMWBAAP-LJQANCHMSA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1749375390 BDWIBGDCHPJLLR-UHFFFAOYSA-N 434.531 4.743 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1749537479 HWPIKNARXMRPQP-OAQYLSRUSA-N 439.604 4.680 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CCc1nc(C(C)(C)C)cs1 1749591231 OOWKFQQCTDPCTC-UHFFFAOYSA-N 425.602 4.980 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1749622491 YIUPEGDDLIDPRQ-HNNXBMFYSA-N 449.958 4.665 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCS[C@@H](C(C)C)C1 1749689597 HRYIGDQVVCDXRY-FGZHOGPDSA-N 442.629 4.711 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(Cl)ccc1OC 1760139425 BXBASHMNNVDCEC-UHFFFAOYSA-N 444.004 4.736 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1760305066 QSWYTILRJKAFIV-CQSZACIVSA-N 447.406 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760330387 BACQZQJZFGTVJV-KDURUIRLSA-N 432.012 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCC[C@H]1CC 1760330536 GQYRAYCWGYCRJH-GOSISDBHSA-N 449.441 4.703 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCSC2)CC1 1760396877 JXVSKQJAZZNEDC-QUCCMNQESA-N 442.629 4.972 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC[C@H](NC(=O)OCC)C1)c1ccccc1 1760417806 IUPZVJNOBUBERZ-FCEUIQTBSA-N 439.604 4.866 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1760435444 JZKJULWSDSXLMC-UHFFFAOYSA-N 425.483 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760486952 FNYIUXVEOXDHST-YADARESESA-N 427.662 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1cccnc1OCC 1760487339 QDTBVNBYQWTMHT-UHFFFAOYSA-N 425.602 4.963 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCO[C@@H](C)C1 1760499557 BWZXUVKNOPLDSF-SFTDATJTSA-N 435.572 4.682 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1coc(-c2cccs2)n1 1760503777 DYYBHJVJBVOREK-UHFFFAOYSA-N 435.553 4.657 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1762839351 FAUXSNNENAESNA-NFBKMPQASA-N 434.632 4.811 30 10 IJEE CCN1C(=O)/C(=C/C(Cl)=C\c2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 1772762083 HKZMBIWXGYJLDJ-AROWCSPUSA-N 428.897 4.837 30 10 IJEE CCCCCCOc1ccc(C=NNc2nnc3c4ccccc4n(C)c3n2)cc1OC 1772764857 GNCZHNPLVZIHLA-UHFFFAOYSA-N 432.528 4.930 30 10 IJEE COc1cc(C=NNc2nnc3c(n2)[nH]c2ccccc23)ccc1OCCc1ccccc1 1772765225 YXAJJPSMTTYKLL-UHFFFAOYSA-N 438.491 4.582 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1860635686 SXKXILNFRLFMMU-VQHVLOKHSA-N 430.317 4.652 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)NCCCCCC(=O)Nc1ccc(C#N)cc1 1860832950 ZKHPMBPGMZZVON-UHFFFAOYSA-N 434.323 4.803 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2nc(CC)[nH]c2c1 1860964923 XEOJGKOIGGPYAT-XMMPIXPASA-N 448.611 4.943 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Br)cc1 1861340115 YUSPUJSGHQUUAW-SFHVURJKSA-N 443.451 4.777 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCCO)cc1 1862431482 IDOAJTDGZUGFDT-NRFANRHFSA-N 427.928 4.643 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862498503 JVZGKSRWOPZOSS-LJQANCHMSA-N 434.319 4.571 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(O)c2)c1 1862507704 RISIBVNOOWYQOK-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862593904 ZRIPRVJXPRMKDC-HSZRJFAPSA-N 442.515 4.863 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)ccc1O 1862677705 JMGRHQWVQBGWHP-JPEVHGAISA-N 439.483 4.697 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862682229 MSFZBQXZMPFHJP-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862835276 MISBKWGXOXDTAU-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1863152640 XUSLFWYUCDCJPT-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCc3ccccc3)C2=O)c1 1863173367 PKHHDUWEHHIDNA-UHFFFAOYSA-N 427.891 4.646 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866751668 AQNHXUXERHAKAH-YADHBBJMSA-N 441.572 4.704 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccccc2Cl)cc1 1870105954 PRCOTMFPAYCHEN-UHFFFAOYSA-N 437.931 4.773 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCC(O)CC1 1870468732 QSNGXUNCWVUBPZ-UHFFFAOYSA-N 426.601 4.745 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871374616 UKPDVRRJDAVHLF-YEJNLHJGSA-N 427.412 4.915 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 1871861144 CFJOPZKGBVWABT-NRFANRHFSA-N 436.524 4.729 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871967792 ALMHXXRBZBQYMW-NRFANRHFSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@H](C)CC)S(=O)(=O)CC 1872295546 SGYBNNVQXDZRKT-NFBKMPQASA-N 449.661 4.504 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874299776 RTZAQOWFRXMKRJ-FSJBWODESA-N 437.525 4.933 30 10 IJEE Cc1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874464021 NFTQKYIHWIDIRH-WSDLNYQXSA-N 435.465 4.635 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)c1OCCO 1874614348 MLGCFJVQQBTBND-FPYGCLRLSA-N 425.706 4.768 30 10 IJEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c1 1874629564 JJMWRGJEJYBUKK-SOFGYWHQSA-N 441.480 4.694 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 1874701477 URFYRVGRPRSUBM-NYYWCZLTSA-N 446.455 4.938 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(COc3c(C)cccc3C)nnc2s1 1874782058 PZQWKIFQQVMNPZ-UHFFFAOYSA-N 443.617 4.791 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)c(C)c1C 1875168217 XMUNDHBREOKOEO-SOFGYWHQSA-N 447.487 4.840 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1890577379 QNGYNTSGVSNBGB-UHFFFAOYSA-N 436.309 4.553 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1cccc(OC)c1Br 1927271332 RNKUXFRSRVJDIB-FCHUYYIVSA-N 434.374 4.632 30 10 IJEE C#CC[C@H](C[C@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2020078781 OJGNJBUFZRELLZ-SGNDLWITSA-N 428.617 4.904 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)C1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033849846 ZFQSTCHOLQNMEW-XZQOPNAISA-N 440.632 4.655 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@@]1(O)CN(Cc2ccccc2)C2(CCCCCC2)C1 2038917811 XICGJLWADYXOEO-IAPPQJPRSA-N 434.624 4.817 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC2(C)C)cc1 2040579882 UEBYCQZNKLEUDE-XMMPIXPASA-N 445.560 4.976 30 10 IJEE CC[C@H](c1ccc(OC)cc1C)n1nc(C(C)C)c(C=NO)c1I 2079882156 ZNJICYFXAOTNFL-MRXNPFEDSA-N 441.313 4.736 30 10 IJEE COc1ccc([C@@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)cc1 2080021893 BWAASWUNEQJXRQ-QGZVFWFLSA-N 435.309 4.881 30 10 IJEE CCOc1ccc([C@H](CC)n2nc(C(C)C)c(C=NO)c2I)cc1 2080079766 LMLLSHUYNVIBRH-INIZCTEOSA-N 441.313 4.817 30 10 IJEE Cc1ccc(C(F)(F)F)cc1Cn1nc(C2CCOCC2)c(C#N)c1Br 2080341700 XYPZODPTNBDZPV-UHFFFAOYSA-N 428.252 4.787 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cc(Cl)n2nc(C(F)(F)F)c(C#N)c2n1 2081404100 KMOTVPGICHABKZ-GFCCVEGCSA-N 429.830 4.735 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)C1 2118192974 VMEAWZRRVYSQFT-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CN(CCc1ccc(Nc2cc(Br)cnc2C#N)cc1)C(=O)OC(C)(C)C 2167615092 WIUIIYFDKAZXBZ-UHFFFAOYSA-N 431.334 4.869 30 10 IJEE Cc1cc(Br)c(C(=O)N[C@@H]2CCCC[C@@H]2C#N)cc1NC(=O)OC(C)(C)C 2181046379 KRKQYIYLKXLAJC-CZUORRHYSA-N 436.350 4.917 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Nc1ccc(C#N)c(Br)c1F)C2 2193302942 MQMLHCQQBYTUGR-AEIGPULVSA-N 442.304 4.750 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)CC1CN(c2cc(Br)cc(F)c2C#N)C1 2199525406 PZAHPEZCZLNJKB-UHFFFAOYSA-N 440.357 4.837 30 10 IJEE N#C[C@@](COc1cccc(OCc2ccccc2)c1)(NC1CC1)C1(Br)CC1 2206671578 YKKLTWPMDPPLKF-QFIPXVFZSA-N 427.342 4.586 30 10 IJEE Cc1cc(C#CCCO)c(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)s1 2221825461 NVFSHTWKCFYFRQ-UHFFFAOYSA-N 446.616 4.613 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2235728555 LRAPESXWDPAFCX-AZUAARDMSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2235734358 WNTNNGAVXNZSRT-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2235735343 YVEVSIKYAITFSH-HKUYNNGSSA-N 433.390 4.568 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCN)CCC(F)(F)C[C@H]1OCc1ccccc1 2252543034 FQSNPVCEBBXUFP-ILBGXUMGSA-N 431.523 4.878 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2260201107 CJWFBIOKLLUSAB-UHFFFAOYSA-N 432.295 4.982 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCN(Cc2ccccc2)CC12CCC2 2261822062 ZTVAZRBMTJBYOG-MHZLTWQESA-N 435.564 4.676 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1csc(I)c1 2278776043 XCVHJMGYHKNKIX-AWEZNQCLSA-N 446.151 4.818 30 10 IJEE CC1(C)OB(c2cnc(Nc3ccc(Br)c(Cl)c3F)c(F)c2)OC1(C)C 2284353626 IWVSQZDGAKQIDS-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CCOCCN1C(=O)C(=Cc2ccc(O)c(Br)c2)SC1=Nc1ccccc1 2293812346 AYNIAMRTTOQSLJ-UHFFFAOYSA-N 447.354 4.795 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2296224994 PYLWEZJOYSEAKD-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(N)C#Cc1cccc(Br)c1 2296226976 KTTKZZBFXSLYQG-YZKRDWPBSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(N)C#Cc1cccc(Br)c1 2296283257 DRKQQUVFMIMENZ-VGSWGCGISA-N 433.390 4.603 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(F)cc2)cc1 2296936211 GURUIONECLTQPU-LJQANCHMSA-N 438.480 4.534 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2ccc(OC)cc2OC)C1=O 2297485906 QTMCAOTTYFZNNZ-UHFFFAOYSA-N 425.506 4.556 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300752590 MBPPJNOEQAFVAY-WIOPSUGQSA-N 440.609 4.532 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C2CC2)ccc1OCc1ccccc1Cl 2321888263 TYFGMIZIYJCTCX-UHFFFAOYSA-N 428.945 4.958 30 10 IJEE CCN(CC)CCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccs1)C3=O 2322122883 WTKDSMYVJZHTIQ-UHFFFAOYSA-N 426.582 4.947 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)OC)cc1OCCC 2322510794 PFUGLZISBUGABP-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1OC(=Cc1cccs1)C2=O 2325744930 LVRVUCMPXJVMFE-UHFFFAOYSA-N 436.485 4.674 30 10 IJEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1C 2325747455 CPHYWWLNFLNBDG-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE CN(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] 2325751394 DPDRZNMTFOPLHY-UHFFFAOYSA-N 434.423 4.915 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1C(=O)O 2326121433 MBTAVQWLBXFAIX-UHFFFAOYSA-N 444.944 4.820 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)ccc1OC(=O)COCCOC 2330671317 YQZPTMWXPHKNGB-UHFFFAOYSA-N 434.488 4.703 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)CCCSC)c(OC)c1 2331057017 KNFOPZALYNGJBB-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)cc2)o1 2331066256 SUQZOOQRFFHNBQ-UHFFFAOYSA-N 440.525 4.586 30 10 IJEE Oc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c1 2331163172 FGCDKQWWNJDHAN-UHFFFAOYSA-N 430.814 4.970 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 2331170257 KFGIQRFZOMAWLF-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2c[nH]c3ccccc23)cc1 2331378621 INCUMOHKUZAAFM-UHFFFAOYSA-N 446.580 4.978 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CC2)cc1 2331717371 FOKRCBXQRHJEBJ-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE COC(=O)c1nc(-c2ccc(C)cc2)oc1NN=Cc1cccc(OC(=O)c2ccco2)c1 2331937513 AIVGFHBVXOQPEJ-UHFFFAOYSA-N 445.431 4.695 30 10 IJEE CN(Cc1ccccc1)[C@@H]1CCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339544858 MJIPZHAINOZTDI-POICXBNUSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339578144 CPHBZSGQXOPRFI-GUDVDZBRSA-N 442.365 4.503 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339595090 FKCJSENCDHRIJT-QJPGBWLHSA-N 444.381 4.797 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2360194717 RCWJMAJYFUBCQG-BPXKWBHBSA-N 435.406 4.672 30 10 IJEE N#Cc1cc(N[C@@]2(C(=O)O)CCCC[C@@H]2OCc2ccccc2)ccc1Br 2375627258 ILQIBUIHZQWVPZ-FPOVZHCZSA-N 429.314 4.715 30 10 IJEE C[C@H]1CC(OCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)C[C@H](C)S1 2377327363 RKCUCAMIZDEJGJ-KBPBESRZSA-N 441.240 4.938 30 10 IJEE COc1ccc(/N=C2/S[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)cc1 2728521 OPMKDIBVMNIBNB-IHIJCHFRSA-N 438.336 4.592 30 10 IJEE CSc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1 3041641 MFDCNTKXXMRPRL-DAFNUICNSA-N 432.574 4.646 30 10 IJEE Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 28388853 HFYLSLOEFLLJKI-HNNXBMFYSA-N 431.517 4.663 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)CC 36116372 UPFJIVQHEIQCMF-FQEVSTJZSA-N 447.000 4.639 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)cc1OC 41354588 YRYVZTFQRMSZTI-NHDPSOOVSA-N 436.485 4.838 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2OC)cc1 169946298 LSLRUJGXMYGWJX-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@H]1c1cccnc1 170012770 GFYGFWMOEPIMNK-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1ccncc1 170019188 GYGHLBZZOMMSHT-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(C(C)C)cc1 170066300 QUOJFDPQXPWMCV-WMZHIEFXSA-N 435.520 4.576 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccco1)c1ccc(F)cc1 170096763 HDLFOVSJBRATGQ-FQEVSTJZSA-N 425.843 4.893 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1)c1ccc(Br)cc1 170231192 GYQZFOZRDIYXDC-FQEVSTJZSA-N 449.304 4.623 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 170260636 MUPVSBBNKOBUKY-QHCPKHFHSA-N 425.440 4.917 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2ccco2)c1 170282666 AXICZXUOSGVSOE-QHCPKHFHSA-N 444.487 4.508 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C)o2)cc1C(C)(C)C 170298239 NKEYOYQDPUCZMO-OAQYLSRUSA-N 441.524 4.509 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(Cl)cc2)o1 170303265 NVNYIVJXLVYBSP-OAQYLSRUSA-N 435.863 4.959 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(C)o2)c1 170304393 IEUAVEOYIBJZER-JOCHJYFZSA-N 433.460 4.784 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(C)o1 170308302 IUYCXKQUJAAQNW-NRFANRHFSA-N 425.481 4.516 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1sccc1C 170314752 FBISUJREVIZELZ-LJQANCHMSA-N 439.464 4.693 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1sccc1C 170317957 CUZMGPPBYHBAEU-KRWDZBQOSA-N 449.956 4.642 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC(C)C)cc2)cc1 170473875 XYSRKOCLENCDJU-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE O=C1N/C(=N\N=Cc2c[nH]c3ccccc23)S[C@@H]1Cc1ccc(SC(F)F)cc1 245285357 WQZWNIKSEYOWQK-QGZVFWFLSA-N 430.505 4.647 30 10 IJEE CC(=NN=C1S[C@@H](CC(=O)O)C(=O)N1c1ccc(C)cc1)C12CC3CC(CC(C3)C1)C2 263631664 ZVWUJLFIMHZQIL-BSFBHTCNSA-N 439.581 4.866 30 10 IJEE C=CCN(C[C@@H](Cc1cc(OC)ccc1Br)NCCC)C(=O)OC(C)(C)C 407697972 UQMXJBVCUZDONF-QGZVFWFLSA-N 441.410 4.792 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 460955128 XJNLVBMSCRVCLV-UHFFFAOYSA-N 440.551 4.624 30 10 IJEE COC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 504808388 GMZMLOLHVDAHTM-NXNJFABFSA-N 434.495 4.620 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 508498611 UDQCRHIPSTUDIM-VWLOTQADSA-N 440.547 4.795 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 519514593 YIPGBESJRCXCEW-HNNXBMFYSA-N 437.418 4.995 30 10 IJEE Cc1cccc(NC2=C(Sc3nc(C)cc(C)c3C#N)C(=O)N(c3ccccc3)C2=O)c1 526647280 AJAPAAUOKFMYLU-UHFFFAOYSA-N 440.528 4.868 30 10 IJEE CC1CCN(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)CC1 526689714 SFFSPRILRBQNBN-UHFFFAOYSA-N 437.952 4.821 30 10 IJEE N#Cc1ccc(SCC(=O)N2CCC[C@H]2c2ccc(I)cc2)cc1 534549492 LUJGEFSOXTZGSJ-SFHVURJKSA-N 448.329 4.619 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)N2CCCC2)CC1 549250108 SBAMPRABLGVGRO-UHFFFAOYSA-N 448.398 4.667 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 549291309 DMMMKLKNEZMLJR-UGKGYDQZSA-N 425.646 4.544 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCc3nccc(C(F)F)n3)cc2Cl)c1 554211922 DCRZFOMSFYRGLD-UHFFFAOYSA-N 443.841 4.840 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 555272671 MAFNPBBSUSYAJW-OTWHNJEPSA-N 430.980 4.901 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 574587382 QJYSXRIYKXFILC-UHFFFAOYSA-N 445.527 4.560 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(Cl)cn2)cc1 586256454 HVBOVINCSZIHTM-UHFFFAOYSA-N 441.940 4.789 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710378763 MLPGEJBENOQKJY-QFIPXVFZSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(CCOc1ccc(Br)cc1)C2 712703922 DDNZFOMBGWFQEE-IRXDYDNUSA-N 438.362 4.965 30 10 IJEE C=CC[C@@]1(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)CCCN1C(=O)OC(C)(C)C 753423828 UGRQCMOBKHVOJG-XDHUDOTRSA-N 441.528 4.995 30 10 IJEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N 755010225 IMBJWLFGPXFWRA-KGAUPUERSA-N 439.493 4.574 30 10 IJEE N#C[C@H]1CN(C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1C1CC1 779505467 GVMFFXOLFFALMI-SFHVURJKSA-N 430.430 4.702 30 10 IJEE C#CCOc1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)cc1 788211353 YYKHLAGMOOSEDV-LJQANCHMSA-N 443.931 4.650 30 10 IJEE O=C(/C=C\c1cc(Br)c(O)c(Br)c1)c1ccc2nc(O)oc2c1 794713480 DQOGAEBZFDJPKN-RJRFIUFISA-N 439.059 4.660 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1C 812179018 NVIAWIBNGOONSI-HSZRJFAPSA-N 445.567 4.931 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)cc1C 1084110611 CPEIDJJLOYGUOH-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1OC 1124269788 UMTCOCULLHNUFN-FLJMFPIGSA-N 440.609 4.924 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1128003681 WHHGNDMTZKWMPS-GBXCKJPGSA-N 437.580 4.940 30 10 IJEE Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)C[C@H](C)C[C@H]4C)cc2n1 1129225919 GYOHGNNUXJKIDW-NXEZZACHSA-N 433.459 4.928 30 10 IJEE C=C1CCN(C(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)CC1 1136632738 JJUVYGCXCXJGGF-UHFFFAOYSA-N 427.364 4.554 30 10 IJEE C=C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1137046205 KXCGILLBBJHMLX-PKTZIBPZSA-N 439.964 4.919 30 10 IJEE C=C[C@@H](C)ONC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1144590298 YXNJWKARYNQZSV-RTBURBONSA-N 434.536 4.660 30 10 IJEE C#C[C@H](CCC)NC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1156783712 VKNBYFHVKZJCDX-HXUWFJFHSA-N 426.582 4.625 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1)c1ccccc1 1163097406 XSRFRTONYZRJEE-HXUWFJFHSA-N 433.305 4.806 30 10 IJEE C=C(C)[C@@H](CO)Sc1nnc(-c2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 1164444375 UQSZGDMTUYUZLY-GOSISDBHSA-N 435.471 4.991 30 10 IJEE C=CC1(CC(=O)N(C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)CN(C(=O)OC(C)(C)C)C1 1164464119 BEKUQTYRCVDIPM-GOSISDBHSA-N 448.991 4.998 30 10 IJEE C#CCC1(O)CCN(C(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc23)CC1 1175853495 CTTOADIOMKFOSE-UHFFFAOYSA-N 449.348 4.655 30 10 IJEE CCCc1c(NC(=O)Nc2ccc([C@@H](C)C(=O)OC)cc2)cnn1-c1cccc(C#N)c1 1206218232 AOUYMRVMCVDKKG-MRXNPFEDSA-N 431.496 4.617 30 10 IJEE C[C@@](Cc1cccc(Br)c1)(NC(=O)Nc1cccc(C#N)n1)c1ccccc1 1206772745 DONJVZLSZRYAGL-QFIPXVFZSA-N 435.325 4.995 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1211273169 GVAUWSGDZZPGOK-OAHLLOKOSA-N 440.340 4.607 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1215372710 JIYHTJIWZOEFAG-XHDPSFHLSA-N 426.357 4.749 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1COc1ccc(Br)cc1 1215515113 OMAROGXJTMBORK-KRWDZBQOSA-N 447.304 4.676 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)c(F)c1 1220602929 FEIJNBJNLNVSEL-FCHUYYIVSA-N 449.929 4.608 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3cccc(C(F)(F)F)c3C2)cc(OC)c1OC 1221553872 VPURBEINZWMYGH-UHFFFAOYSA-N 434.458 4.719 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)ccc1OC 1221923604 GTCSDFBWAOXLBR-MJGOQNOKSA-N 441.503 4.617 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1 1228222657 PZOLFVHFGMCALU-UHFFFAOYSA-N 448.494 4.980 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1246654823 RVTNULVMFABTAK-UXHICEINSA-N 445.485 4.903 30 10 IJEE C#CCN(C(=O)NC[C@@]1(C)CC1(Cl)Cl)[C@H]1CCOc2ccc(Br)cc21 1251195617 SDOFXKZMJIXNLK-WMLDXEAASA-N 446.172 4.501 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 1254599156 MDQOOIQVTRIPMA-IBGZPJMESA-N 433.430 4.767 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc(Br)c(OCCC)c(OC)c1 1265216863 QJOJYLHIHFBZON-UHFFFAOYSA-N 434.330 4.741 30 10 IJEE C#CCN(CC#CC)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CC2 1265493355 XUVYJCKUHVCHKF-XDOYNYLZSA-N 433.555 4.886 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3CCC(=O)N(c4cccc(F)c4)C3)c2C#N)[C@@H](C)C1 1273946217 GOOUEBQHNGKESF-SOUVJXGZSA-N 425.529 4.826 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)OCc3cc(F)cc(N4CCOCC4)c3)cc2)cc1 1276991988 DWKIPRYTGSPXAW-UHFFFAOYSA-N 446.478 4.878 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1286433637 IGMFBUZSAXYSFF-WIOPSUGQSA-N 448.611 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC(C)CC1 1286437055 GFMPFRHTOVSTGV-UHFFFAOYSA-N 448.640 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC 1286555540 YGJNHVVGIRWBCL-RDTXWAMCSA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1286569591 VQNNYKWJMLGODB-NLFFAJNJSA-N 425.621 4.867 30 10 IJEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1286625029 GTASTPGHGHGQJM-GFCCVEGCSA-N 442.898 4.885 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286682184 GFWZNDQKCYRXAM-KRWDZBQOSA-N 449.958 4.809 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC(F)(F)C1 1286719266 ZMGPBIADJXBSLV-ZDUSSCGKSA-N 441.320 4.774 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@H]1C 1286744534 KTVBDHZLWVIDCF-DFIYOIEZSA-N 442.579 4.698 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC1CC(F)(F)C1 1286762497 HDXLGUKKKKAHAL-UHFFFAOYSA-N 443.567 4.914 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1286767509 VICGYHOASIQEQG-IBGZPJMESA-N 449.452 4.600 30 10 IJEE C#CC[C@H](COC)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1287423623 KQTFYZNOXLNJLS-GPQLQYNLSA-N 445.625 4.551 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CC)Cc2ccccc2Br)cc1 1290545905 JSKXSMQBYVQRJJ-OAHLLOKOSA-N 430.346 4.964 30 10 IJEE CCC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)OC 1293950133 APKOAKGWIOAIHB-DYESRHJHSA-N 429.540 4.502 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 1297377777 AOTYFJVCISMPQX-NRFANRHFSA-N 431.374 4.536 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1C 1300341620 JBHSVDAYSPWZGT-UHFFFAOYSA-N 440.389 4.794 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)c1ccccc1 1300385737 DEVLEGBFRHWLDV-QGZVFWFLSA-N 440.389 4.699 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1300421612 LXMCJKPBPJGSPW-OAQYLSRUSA-N 428.527 4.759 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1300831912 ATRIXSYBLINFAE-LJQANCHMSA-N 443.345 4.641 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@H]1CC 1300905780 VSUIUSXZIAOBIM-UYAOXDASSA-N 430.618 4.577 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1301025378 WZDPVNGZEVJHOV-UHFFFAOYSA-N 427.892 4.788 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOCC(F)(F)C(F)F)CC1 1301070520 OJHHPOLQGFBMBP-UHFFFAOYSA-N 432.849 4.672 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)N(CC)CC)CC1 1301134375 JHHWGAXASLYMCH-SFHVURJKSA-N 432.012 4.643 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1301186881 LEBVFYRXAMJHTK-UHFFFAOYSA-N 442.007 4.908 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(c2ccccc2)CC1 1301190695 XGNWZSJDECKVNK-UHFFFAOYSA-N 436.629 4.707 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H](CC)N1CCCC1 1301383987 LUSKLZUCKDPEJF-GOSISDBHSA-N 444.421 4.760 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@@H](F)C1 1301414582 FUEBVHYXJXSLFB-JENIJYKNSA-N 432.609 4.908 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)[C@@H](F)C2)cc1 1301529480 KBFPZVKDHFZDLN-HLRQEUIKSA-N 442.579 4.604 30 10 IJEE Cc1cccc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1304153822 AIGSXKYIYRAZQN-SFHVURJKSA-N 444.583 4.514 30 10 IJEE CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CCC1 1306601092 HVMHNYQKJSHZME-UHFFFAOYSA-N 448.615 4.671 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1ccc(I)c(Cl)c1 1308386214 VWGFNMFSCDJSIS-UHFFFAOYSA-N 446.115 4.900 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)cc1 1310132689 VMRAEGIEVRERRQ-DHIUTWEWSA-N 441.597 4.602 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 1310374841 ZJFNAYVIZHXWNT-GOSISDBHSA-N 431.305 4.839 30 10 IJEE CSc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C#N)N2CCc3sccc3C2)cc1 1311450214 AXIGOPJRKHWNBV-FQEVSTJZSA-N 442.654 4.761 30 10 IJEE COc1ccc(NC(=O)c2ccsc2C#N)cc1NC(=O)c1ccc(Cl)cc1F 1354835253 HNWFJNXYQUHFTK-UHFFFAOYSA-N 429.860 4.925 30 10 IJEE Cc1c(C#N)c(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)n(-c2ccccc2)c1C 1356133742 AMSZXWBFFLRHKF-UHFFFAOYSA-N 447.438 4.512 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 1357823188 GQPLJLCQTVCANO-UHFFFAOYSA-N 442.481 4.986 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 1358007029 JRMGQBBZMULWAK-SFTDATJTSA-N 428.532 4.717 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C=C)CC1 1359050735 APWAXNGPZGYHBT-UHFFFAOYSA-N 437.432 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCOCCC(C)C 1359063795 DKCOLIAZWCSEDN-YADARESESA-N 428.552 4.612 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1359086227 OPDQHXSVBKOKLA-MRXNPFEDSA-N 429.353 4.791 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1359162056 BPIWYIGFJPWYNB-UHFFFAOYSA-N 438.963 4.771 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC)[C@@H](C)C1 1359198068 HJSYVZMSSZMLCA-RBBKRZOGSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H](C)c1nccs1 1359255853 MPYBCVNLDHETLB-SFHVURJKSA-N 441.564 4.665 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C 1359257061 XZNXWWJRJWADMX-NVQXNPDNSA-N 449.599 4.525 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1359261657 QICQINJGQHNSLZ-MIZPHKNDSA-N 441.595 4.582 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2oc(CCC)nc2C)C1 1359315914 DPZVWYFDBAKWTM-NRFANRHFSA-N 435.572 4.586 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(Cl)s1 1360769138 DPJCVTLSMORHGC-XCLFUZPHSA-N 449.914 4.762 30 10 IJEE C#C[C@@H](NC(=O)c1sc(-c2ccc(OC)cc2)nc1C)c1ccc(Br)cc1 1436651249 NDJMRKQLPDFLGN-GOSISDBHSA-N 441.350 4.994 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC 1440711787 BGKPJMGTBSQXHJ-WOJBJXKFSA-N 432.561 4.617 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCNC(=O)OCc2ccccc2)c1 1455950428 RHUXPCADKGGDQX-UHFFFAOYSA-N 426.516 4.908 30 10 IJEE C=CCn1c(SCOC2CCOCC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1458899415 QQBDIFJHPPCPQM-UHFFFAOYSA-N 428.579 4.865 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H]1CCCN(c2cccc(F)c2)C1=O 1459413863 GLVCIFYCDXNWOT-HXUWFJFHSA-N 435.312 4.911 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CC=C(c4cccc(Cl)c4)CC3)CC2=O)cc1Cl 1459744866 HBKREVXBWMVTIN-GOSISDBHSA-N 440.330 4.534 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 1460386802 ZNEVUUOFISRSLE-UHFFFAOYSA-N 429.538 4.619 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2csc(-c3ccc(Cl)cc3)n2)cc1 1461740276 ZHYJYTPBULYTER-UHFFFAOYSA-N 433.986 4.882 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 1463257619 NSIGHGKEEDSFCC-UHFFFAOYSA-N 432.545 4.719 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1 1464341982 JHEFNGNTXVSOEZ-UHFFFAOYSA-N 434.517 4.540 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1464541900 HUXNZVPEDHBIAZ-XMMPIXPASA-N 436.512 4.721 30 10 IJEE CCn1c(CNC(=O)Nc2ccc(C#N)c(Cl)c2)nc2cc(Br)ccc21 1465061061 AUXRPDBPXMCJKD-UHFFFAOYSA-N 432.709 4.665 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1OC 1466290658 IHOHNTDGQGYAPH-DBBZSVRUSA-N 431.536 4.864 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C\C1CC1 1468313714 QMSDIUIJTGJWJN-UTBBOMKLSA-N 430.548 4.942 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1)c1ccc(Br)cc1 1468849470 RZOYJSPYEWRERZ-UXHICEINSA-N 444.348 4.539 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2 1470934806 QPZZEVVCEMDXJS-DEOSSOPVSA-N 433.596 4.695 30 10 IJEE Cc1cc(C)c(CCNC(=O)CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c(C)c1 1473572662 DTVHFWCGHDIRPQ-IBGZPJMESA-N 431.502 4.704 30 10 IJEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H]2CC)ccn1 1503311400 HFFKLKVBVHGPAF-HXUWFJFHSA-N 448.596 4.663 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1=CCc2ccc(OC)cc21 1507548600 VMRXQLRQTOFDQO-KUWBRRTOSA-N 448.611 4.693 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1507595536 RNAFAMOEJPTYCK-UHFFFAOYSA-N 425.646 4.603 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1507604552 KXDQHLIYSVTOHR-SFTDATJTSA-N 449.624 4.898 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCO[C@@H](C)C1 1507779419 AVNXKXMSOADMRL-LBPRGKRZSA-N 446.176 4.776 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1507780402 BIKUEGADHIUMMI-MAUKXSAKSA-N 445.386 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 1507800158 ZFBKNEMWSHTNLI-MJGOQNOKSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2nc3ccccc3s2)nnc1C(C)(C)C 1507811734 UKTIUXMRVIBEAZ-OXJNMPFZSA-N 425.602 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCn1ccnc1C 1507819382 QKFPIMUFOBNVFT-UHFFFAOYSA-N 447.612 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccsc1 1507821862 PUHGZVAJIGGRKV-HDICACEKSA-N 431.606 4.561 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1507853894 GTCPUUJETRSLED-UHFFFAOYSA-N 433.947 4.560 30 10 IJEE C=C1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(F)(F)Br)CC1 1507879265 DJSTUJADMKLDFD-UHFFFAOYSA-N 448.315 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)CC1 1507914859 PUDQFEAOUYNYAS-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1507989350 ZGMFCTGIEHRXRN-UHFFFAOYSA-N 435.475 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H](O)C1 1508009386 PJHPURIWEWGUFZ-PZJWPPBQSA-N 433.581 4.622 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1508067864 RFXZTMKHLUGZSI-RTWAWAEBSA-N 437.588 4.838 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 1508167991 MFWJYOWKIKLUCP-QRVBRYPASA-N 449.665 4.894 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 1514054370 FBAYETGTMWMDIO-RXVVDRJESA-N 434.613 4.808 30 10 IJEE C#CC[C@]1(C(=O)OCc2ccc(SC(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1515148093 KADXGGINLULTMS-OAQYLSRUSA-N 425.497 4.838 30 10 IJEE CC(C)(CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc2c(c1)OCO2 1519082039 DIXJOBWVFHGSRV-UHFFFAOYSA-N 428.488 4.574 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc1OC 1520860959 KAPMWTXYSLTBHO-DDNJPHGJSA-N 444.572 4.569 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c(OC)c1 1521158976 WXURXWLMWLPUET-OAQYLSRUSA-N 430.342 4.929 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](c1cc(Br)cs1)C(F)(F)F 1521483116 IDSIOOMEWZOIEO-XPTSAGLGSA-N 434.233 4.996 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2C(C)(C)C2(C)C)c1 1525018131 LGRSLYKNGWSVLH-UHFFFAOYSA-N 447.000 4.886 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 1526043700 XXKLIYOPWIZPOZ-UWJYYQICSA-N 441.984 4.537 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC23CC3)c1 1531355652 HZTVRKXEBRCJQU-OAQYLSRUSA-N 444.984 4.784 30 10 IJEE C=CCCC[C@@H](C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 1532776235 YRRMHOMEKJBXET-XMMPIXPASA-N 426.004 4.718 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1536804466 GXOGIKLLHTWJMT-FUHWJXTLSA-N 430.474 4.514 30 10 IJEE C#CCN(C(=O)c1cccc(I)c1C)[C@H]1CCCc2ccccc21 1538599328 FSRIYMAYHXQIEW-FQEVSTJZSA-N 429.301 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCOC(F)F 1539659363 ULIZZDPEFQXYKP-UHFFFAOYSA-N 447.299 4.878 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@](C)(CC)C1 1539734827 ALLFQEUKWTUGNF-NRFANRHFSA-N 433.394 4.927 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(F)F)C1 1539744148 CZAZZTFMQZKICQ-GOSISDBHSA-N 443.498 4.674 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OC)C1 1540014567 QVNCKZUWPAYFCO-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCCNC(=O)C1CCC1 1540854188 OJZTVMNFQNEUGO-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)OC1CCCC1 1540909899 RJLXFVMVMNFSJT-UHFFFAOYSA-N 437.407 4.937 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)ccc1F 1543140683 OUFCBESDNGOKTR-NRFANRHFSA-N 444.572 4.565 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCSCC2)c1C 1544331941 TTWIAKUJGJWIMG-OAQYLSRUSA-N 447.645 4.732 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1547300314 ANNQTPRIFSJMJI-TUNNFDKTSA-N 448.615 4.557 30 10 IJEE C=C(C)COc1cccc(NCc2cc(Br)ccc2O[C@@H](C)C(=O)NC)c1 1560382013 BIIGZQHSFUMZLO-HNNXBMFYSA-N 433.346 4.529 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1 1562293555 RHOUQYLHYBQRJE-INIZCTEOSA-N 427.220 4.886 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(I)cc2OC)CCCC1(C)C 1562855592 CCRFGRNTGJTADI-MRXNPFEDSA-N 428.314 4.898 30 10 IJEE COc1ccc(NC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)cc1C#N 1563185734 BCGNTKALZCYGGL-UHFFFAOYSA-N 444.329 4.542 30 10 IJEE C#CC1(O)CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 1564006468 HZAONQFJOUZMKV-FQEVSTJZSA-N 435.326 4.586 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(OC)c2)CCCC1 1565694992 BHTHKSBCMGOOBA-IBGZPJMESA-N 436.980 4.659 30 10 IJEE CCOC(=O)c1cc(NC(=O)c2nc(O)c(C#N)cc2C)ccc1Sc1ccccc1 1566816264 BJIRKLJYVPJJHJ-UHFFFAOYSA-N 433.489 4.548 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(c3ccc(F)cc3C)CC2)CCCN1C(=O)OC(C)(C)C 1583916999 LGOFGXDAEVTKOP-VWLOTQADSA-N 428.548 4.633 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 1586028175 ZXBTULRGCGSHDX-YTTGMZPUSA-N 446.572 4.932 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(F)cc1C 1588099058 HKTDGBKQILWEHN-SFHVURJKSA-N 446.595 4.894 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCSC1(C)C 1588099195 JETWATOWXLLLEV-MJGOQNOKSA-N 438.666 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1ccco1 1589178485 YJNUQVCDHCVHCG-YADHBBJMSA-N 445.350 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1csc(CCc2ccccc2)n1 1589223028 BURXDMIIFRLGPE-RUZDIDTESA-N 433.625 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1589662802 BSXLCFIKQFOURA-OALUTQOASA-N 433.641 4.915 30 10 IJEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC=C(C(C)(C)C)CC1 1593747497 XSHIBKUSXKBUOX-QFIPXVFZSA-N 438.572 4.566 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC=CCO1 1595120650 XSLHTDXOFOXLTA-DNVJHFABSA-N 436.600 4.734 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1Cc1oc(CCC)nc1C 1595196262 OKQPAWUUSCKCCK-UHFFFAOYSA-N 428.540 4.969 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(CCSC2)C1 1595900488 CNWSYKSBABIOAG-QHCPKHFHSA-N 444.670 4.727 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCCC1(C)C 1606951508 FSVKLORGMRAJRW-RUZDIDTESA-N 434.588 4.524 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOC1CCC1 1620739931 KJGSUPUYSOAFCT-VWLOTQADSA-N 448.563 4.545 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 1623075154 ANOMRLWJQCLFAC-OSPHWJPCSA-N 435.549 4.970 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C)(F)C1 1626681829 QXEPGVQBLSCBFZ-NRFANRHFSA-N 442.918 4.607 30 10 IJEE C#CCN(CC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2o1)C(=O)OC(C)(C)C 1629602676 PWICHOJICITQKB-UHFFFAOYSA-N 436.508 4.733 30 10 IJEE C=CCC1(C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CCOCC1 1632099656 ZUHXXPLVYCAPKI-DEOSSOPVSA-N 438.999 4.947 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 1633435443 UMTZPCWCWGYHRN-MAUKXSAKSA-N 426.479 4.922 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCOc2ccc(Br)cc2C1)c1ccc(F)c(F)c1 1634435398 MSTQFEHRQFEVIK-LJQANCHMSA-N 437.284 4.949 30 10 IJEE CSc1nccn1-c1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 1638514942 AZRJCSHKXKNOMS-UHFFFAOYSA-N 434.912 4.557 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3nc(C)c(C(C)(C)C)s3)nnc12 1640591561 RQMBEKGPYYMEOI-UHFFFAOYSA-N 425.583 4.585 30 10 IJEE C=CCn1c(SCc2ccc(Br)cc2[N+](=O)[O-])nnc1-c1ccoc1C 1640705765 DIGZAQOXIFSEEK-UHFFFAOYSA-N 435.303 4.996 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 1652428289 RZPMQLRKVZVXJT-KRWDZBQOSA-N 435.332 4.896 30 10 IJEE C=CCN(CCc1cc(Cl)c2c(c1)OCCCO2)[C@H](Cc1ccccc1)C(=O)OCC 1654153100 ZVAAEELQWQVAML-JOCHJYFZSA-N 443.971 4.706 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cccnc1Oc1ccc(F)cc1)c1ccc(F)c(F)c1 1655030882 CTZANQHGMTUVPQ-HXUWFJFHSA-N 434.439 4.887 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](CC)c2nnc3n2CCCCC3)cc1OC 1657034770 GICWIHRVONLSOD-QGZVFWFLSA-N 449.393 4.581 30 10 IJEE O=C1C[C@H](NCc2ccc(F)cc2C(F)(F)F)CN1Cc1ccccc1C(F)(F)F 1657128174 CFZGURRYFGGBJA-HNNXBMFYSA-N 434.355 4.754 30 10 IJEE C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(N2CCNC2=O)cc1 1658199889 ASFYLPZQYQICQA-HOYKHHGWSA-N 439.519 4.754 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1 1663017985 LLGWZOQXKNGMMN-DLBZAZTESA-N 429.483 4.839 30 10 IJEE COc1cc2c(cc1OC)[C@H](C)N(C(=O)Nc1ncc(Cc3ccc(C#N)cc3)s1)CC2 1667655321 DFSMKAGGVRJVOB-HNNXBMFYSA-N 448.548 4.774 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)cc1 1667941455 ADWVODCHLSQYQR-NRFANRHFSA-N 444.325 4.637 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(Br)cc1 1671586953 JESMVJXTGABVRL-HZPDHXFCSA-N 429.211 4.865 30 10 IJEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1672569405 AXQINAVXFDMCFG-QGZVFWFLSA-N 431.355 4.607 30 10 IJEE C#CCOc1ccc(CNC(=O)N2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)cc1 1681325604 FRKZVUWOLMOXRZ-AREMUKBSSA-N 432.564 4.924 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1OC 1689835679 QRCJZLAWGNFRCG-SJLPKXTDSA-N 434.609 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1689847352 XXCCOCSFRGCMMY-HNAYVOBHSA-N 431.437 4.728 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)OC(C)(C)C1 1689935678 PATCPQZTGVUKCS-IBGZPJMESA-N 445.007 4.669 30 10 IJEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690025088 DQKUNRMNIAKXRG-PMACEKPBSA-N 439.485 4.648 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1690059171 KMJDKHFDAOZJOS-WMTXJRDZSA-N 438.616 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCCN1CCCC[C@H]1C 1690200330 TTYCKHKOYPDFAT-QFQXNSOFSA-N 435.616 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCC(C)CC1 1690271459 QASYYGXTXHIJGM-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](C)N1CCCCC1 1690272896 XQPVVLFSRJEONS-BHDDXSALSA-N 431.669 4.864 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(CCC(C)(C)C)CC1 1690295782 PCURCJMGSYZUDU-UHFFFAOYSA-N 425.621 4.554 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690304563 HDBWJYXTAPTHHD-RHSMWYFYSA-N 428.886 4.826 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(F)(F)CC1 1690327970 BTUNMUOSPYRSDK-HNNXBMFYSA-N 426.895 4.805 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690435726 DETQABAXDFPGFF-PMACEKPBSA-N 434.632 4.871 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCn2nc(C)nc2C1 1690456158 XMSQXDLEMNZBKV-UHFFFAOYSA-N 432.359 4.528 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCN1CCC[C@H](C)C1)C1CC1 1690540101 ZSWHYWMXPUXNJL-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1nccs1 1690556442 XGNOZIHECAAFEW-GOSISDBHSA-N 446.580 4.802 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1690581107 KYKGKWCXUVRLKF-QKNQBKEWSA-N 429.634 4.504 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1690692276 VMNXUODOLUEVJL-TZIWHRDSSA-N 441.526 4.814 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1690745038 WSBOHPVEZSHTPA-UHFFFAOYSA-N 425.646 4.798 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(Cl)cc1 1690995261 GNZDIQSWVQNJCE-ZDUSSCGKSA-N 447.768 4.528 30 10 IJEE CC(C)N(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1692468529 CGJRPRHWQSKNFQ-JOCHJYFZSA-N 432.975 4.598 30 10 IJEE CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCCCCC2)nc1 1695195892 BOZTWBCKMSWMEU-UHFFFAOYSA-N 443.599 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCc1csc(C(C)(C)C)n1 1705486739 KNBWCNVGGGZLOP-QGZVFWFLSA-N 444.608 4.948 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@@H]1C(C)C 1705503105 PBVWWXHOOLRJMS-BPYKYCOYSA-N 438.616 4.808 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1705547765 PLXOWNRQHMBWBL-HXUWFJFHSA-N 430.618 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1Cc1csc(C)c1 1705678335 WPCRQYQTEPDEFV-HSZRJFAPSA-N 438.622 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CC(C)C 1705698723 XSWGMQBXGRJJON-REWPJTCUSA-N 434.588 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1ncccc1C 1705712963 NRJBCKBAEBCWNC-UHFFFAOYSA-N 426.362 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CCc1ccn(-c2ccc(F)cc2)n1 1705718966 GKEMYFLKUGEXRE-UHFFFAOYSA-N 436.579 4.981 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@@H]1C 1705786693 WASDCHAOLMUVRG-RBUKOAKNSA-N 428.577 4.644 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1705791515 XXHKGSDHTCHXKF-QRVBRYPASA-N 449.615 4.789 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1705797154 QTQRIEKCWTZRDH-UYAOXDASSA-N 444.505 4.817 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1705808927 DTLOEFHQQADGRZ-LAUBAEHRSA-N 430.980 4.871 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1csc(C)c1 1705857277 SLYYEOLHHFYYEK-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCCN1CCCCCC1=O 1705866484 RUFFDUWSKLCKRJ-UHFFFAOYSA-N 427.618 4.592 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(N(C)C)CCCCC1 1705876693 GVZVGJCAHDHDQS-NHCUHLMSSA-N 429.653 4.640 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(c3ccc(OC)cc3)CCC2)C1 1705924029 SLTUOKRPMDDFKN-JOCHJYFZSA-N 438.616 4.779 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C1CCC1 1705942010 DYNWZNTWAXJTBA-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)CCO1 1706124172 HUFKFWFLMITZDP-VQTJNVASSA-N 443.542 4.894 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(OC)c(Br)c1 1708434317 DJUDVNFJUUJYAS-HNNXBMFYSA-N 446.393 4.545 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(CC(F)(F)F)CC1 1709483654 BIYKAHWUZGBTBH-QGZVFWFLSA-N 448.537 4.716 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)cs1 1711498167 DHKSMWXMZCTZAO-YESZJQIVSA-N 436.585 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@H](C)N1CCCCC1 1722279413 OTLRMWYMJCDPKJ-SFTDATJTSA-N 430.600 4.524 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1722313662 CLEJWVBMDZHXPR-WOJBJXKFSA-N 446.599 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1Cc1oc(CCC)nc1C 1722401539 BWCGYYDBSNIGFE-UHFFFAOYSA-N 447.608 4.639 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCSCC(F)(F)F 1722404814 DOMXEADCKJIUFM-KRWDZBQOSA-N 440.535 4.790 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN(CC)CC)CC1 1722560978 LIPZHPPDYBNRFE-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nc(C(F)(F)F)cs2)CC1 1722561097 KNTUTCAWOCCIMD-UHFFFAOYSA-N 444.486 4.691 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCSC(C)(C)C1 1722624660 GTPCGJRJIHNWNT-UHFFFAOYSA-N 439.585 4.525 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(F)(F)F)CC1)C(C)C 1722666381 QUZWGYNQSMDOTP-IBGZPJMESA-N 425.543 4.633 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC2CC(F)(F)C2)cc1 1722705344 BPJGTZQLJBXBFN-HXUWFJFHSA-N 432.515 4.614 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cscc2C)C1 1722720642 NNVQJVWHJNQXSB-OAQYLSRUSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1722738321 GDZMFGGYWKTUCW-DLBZAZTESA-N 435.663 4.616 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ccsc1 1726999868 AQKANVBUWHHFBJ-MRXNPFEDSA-N 441.004 4.753 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@](F)(C#N)C1 1728072499 CIZRDIRNNUOYPX-MBSDFSHPSA-N 444.986 4.695 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccsc1 1740539394 PFMXHVSCMYCSIX-WAIKUNEKSA-N 440.638 4.703 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740601955 BDCZRVBMSLPQAI-IEBWSBKVSA-N 446.542 4.846 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1oc(CCC)nc1C 1740649440 UIUZQFXIRJKNNU-JOCHJYFZSA-N 429.568 4.580 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccsc1 1740651046 XFURWJYTNABTLM-UHFFFAOYSA-N 432.593 4.943 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc2cnccc2c1 1740743617 ALHFZPRENGZAHD-LJQANCHMSA-N 442.361 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1CC 1740753041 DZIUJHFJSBJTAU-GGPKGHCWSA-N 432.515 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCCC1 1740753129 FWYHPFCVKDUCCM-LPHOPBHVSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCC#N)CCC(C)C 1740757774 XJTKENOKTPPJGH-KNQAVFIVSA-N 425.552 4.832 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2c(C)noc2C)CC1 1740825882 YPJJFXMBVFRQLP-SFHVURJKSA-N 425.508 4.561 30 10 IJEE C=CCCCCn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740867155 ZQBHNEWHGJHNHO-CADBVGFASA-N 449.665 4.735 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCN2CCCC)C1 1740977510 IBVRBOISQIJXQI-LEWJYISDSA-N 441.595 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1748641163 DRNCLEWTIGCRAX-HAGHYFMRSA-N 444.023 4.650 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1748723984 FYWQNNHQHYXQIV-QHCPKHFHSA-N 446.599 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749146693 LGQLWLOWRDMJPF-UHFFFAOYSA-N 439.604 4.777 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749438258 TVKSJXXLVQPLSW-APWZRJJASA-N 438.494 4.542 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1CC(=C)Cl 1749536485 MAIFPTFXFRLISY-UHFFFAOYSA-N 446.780 4.991 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1C[C@]1(C)OCCc2sccc21 1749537600 LZWRCINVYHWYED-DEOSSOPVSA-N 438.597 4.557 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCc2cccnc21 1749560912 CZDHNUJNNPFTKQ-HXUWFJFHSA-N 445.567 4.656 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccco1)N1CCCC1 1749566063 VNPHFGKQFYBUDC-LJQANCHMSA-N 438.963 4.602 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1749606487 ZRUJITDQPNHBBP-INIZCTEOSA-N 427.936 4.688 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 1749710697 ZXTVOAOEVBVLFO-BJKOFHAPSA-N 437.632 4.582 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](SC)C(C)(C)C)C1 1749715203 QQKHRJLVKORPED-NHCUHLMSSA-N 428.646 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)C1 1749718015 AALRSOOZTOBYNO-WOJBJXKFSA-N 449.020 4.578 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1nc(C)cs1 1760106754 GPSJDDFLHOBBBO-DZGCQCFKSA-N 444.402 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCC(C)CC1 1760340980 VDEPNAOSOJQCLR-UHFFFAOYSA-N 425.621 4.608 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1760416857 OWHREIKAAHJQLL-YADHBBJMSA-N 442.579 4.821 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1760431073 DBUDCLKVYWCTKC-HXUWFJFHSA-N 427.618 4.691 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCSCC(F)(F)F 1760456336 MOYBLVPYWNVLMS-MRXNPFEDSA-N 428.524 4.953 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1Cc1cc(Cl)c(OCC)c(OC)c1)C1CC1 1760472251 ASJUXMZELRZRFV-UHFFFAOYSA-N 439.947 4.604 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCc1c(C)noc1C 1760485377 AOWNYIFUNPUMQT-UHFFFAOYSA-N 444.564 4.918 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(CC3CCCC3)nnc2N(CCC#N)CC2CC2)(N(C)C)C1 1762818728 GWWNPGFVSNYFPI-CJFMBICVSA-N 426.653 4.651 30 10 IJEE CCOCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1766201803 AXONPHYPJYYSNS-VWLOTQADSA-N 439.604 4.667 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(C)CCCS1 1768987012 DWRGKKJNBGLKGJ-KKSFZXQISA-N 431.631 4.603 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2c(C)noc2C)CC1 1772554992 JFDVFAIVKGGRHV-UHFFFAOYSA-N 443.498 4.796 30 10 IJEE C=CCN(C(=O)Cc1ccc(Br)s1)C1CCN(Cc2ccccc2)CC1 1860027791 JBEGBHOQNZKURY-UHFFFAOYSA-N 433.415 4.732 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)c4ccccc4F)cc3)CC2)c1 1860705738 GBVVPXGZZWVSMP-UHFFFAOYSA-N 428.463 4.936 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 1860893258 QIVAAULGIQLDLP-HXUWFJFHSA-N 441.984 4.886 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Br 1862439581 MMHNRPQTSGXJIU-QGZVFWFLSA-N 432.701 4.867 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862443598 RDFQPDLWGBICNL-JOCHJYFZSA-N 449.890 4.703 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H](C)O)c1 1862669119 OJUMNMGNBKBNSY-UZUQRXQVSA-N 437.536 4.558 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Br)c1 1862696752 VTOULVBFQYTYFC-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(C)c2)c1 1862698729 MCIVDQKBQZGTAP-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2cccc(C(C)(C)C)c2)cc1 1870145178 WBUDVRSCNCXMAV-UHFFFAOYSA-N 431.540 4.797 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(C)C)cn1C[C@H](O)c1ccc(Cl)cc1 1870353577 XADOFTXCKPNYCT-DEOSSOPVSA-N 445.003 4.834 30 10 IJEE C=CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870811655 FQTXRKFPZPPMRO-UHFFFAOYSA-N 440.547 4.582 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(Br)cc1 1871251978 FOIXRHZQMQDDDW-UHFFFAOYSA-N 438.325 4.693 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871444413 AZXQESQDINMNFB-JCMHNJIXSA-N 438.520 4.867 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872084079 WCMMFGWNTWVJAP-QFIPXVFZSA-N 428.598 4.850 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)CCC 1872172105 LURHMPWXLHDIGK-QFIPXVFZSA-N 438.634 4.837 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874283363 DEANZFOCNJEUJK-HYARGMPZSA-N 427.917 4.785 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@H]1CCCO1 1874447248 XHTXAPLCLYPMLS-UMFTVLFGSA-N 449.580 4.668 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccccc2Cl)cc1 1874516249 NYYJHJXQKWIOCU-ZMOGYAJESA-N 439.972 4.984 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1OC 1874561530 WDJPWWOIMUBHNJ-LFVJCYFKSA-N 440.569 4.996 30 10 IJEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)c(OC)c1 1874572878 JVXSYBGVAJHFQM-VAWYXSNFSA-N 433.504 4.658 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1OC 1874576676 ADGONHRSHKDXMU-ZRDIBKRKSA-N 446.341 4.601 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)CCc1ccccc1 1874707766 WEPSJBHHIQEZOY-YRNVUSSQSA-N 430.456 4.858 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 1875138530 ZZFYARTXMLDQER-CMDGGOBGSA-N 432.476 4.534 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] 1875177049 YDSFKGDLLPFFLS-DHZHZOJOSA-N 443.452 4.612 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(NC(=O)OC(C)(C)C)CCC(CC)CC1 1880002482 LTXORZHCUPJZNI-UHFFFAOYSA-N 429.399 4.773 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1922083699 RLEGVNLSGGXGOR-NVQXNPDNSA-N 446.632 4.668 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1922104643 SVHZNYYGRWDIBQ-SIKLNZKXSA-N 442.522 4.927 30 10 IJEE C=CCC1(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 1924529413 FKLFVDMBLHFOHD-IBGZPJMESA-N 437.625 4.569 30 10 IJEE C#Cc1cccc(N(CC)C(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1 1962739905 VTPJVSONLRZVGE-QFIPXVFZSA-N 436.552 4.521 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1962793600 AJJPEFJWMAFJNO-WBVHZDCISA-N 429.399 4.583 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Br)c1 1963804364 QTALLBXOMXGTFN-HNNXBMFYSA-N 431.758 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 1964767072 GPWKPKBGJGBSGH-OAHLLOKOSA-N 436.350 4.542 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCCC[C@H]1C#N 1984694344 JGJSUDXIZXHRDL-RIEVBORMSA-N 445.563 4.748 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2013355162 QIXIRUMUOOOIOB-PMACEKPBSA-N 447.498 4.859 30 10 IJEE C=CCC1([C@@H](N)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2028171996 LXTQRPSBSBUZBR-INIZCTEOSA-N 429.786 4.786 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048649950 OMPWEBQAUKZHSI-SJORKVTESA-N 429.786 4.587 30 10 IJEE Cc1nn([C@@H](c2ccc(OC(C)C)cc2)C(C)C)c(I)c1C=NO 2080103141 DYBIYHPQUFTSNU-QGZVFWFLSA-N 441.313 4.637 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCN(c2cc(Br)c(C#N)cc2F)C1(C)C 2118150801 IKJGQVZJNPLBND-CYBMUJFWSA-N 426.330 4.589 30 10 IJEE C[C@H]1CN(c2cc(Br)cc(F)c2C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2118200446 FKFJGSQXAMWZGF-QWHCGFSZSA-N 426.330 4.542 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1(C)C 2180919572 CXFKPJWKKXYVGG-ULQDDVLXSA-N 443.426 4.875 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180964400 XWSISDVPKNBDLT-CZUORRHYSA-N 436.350 4.590 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2ccc(Cl)cc2Br)C3)OC1(C)C 2194123394 HLMYBSNJBUPSFB-BUXKBTBVSA-N 440.574 4.801 30 10 IJEE C#CC[C@H](C[C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196840709 LBPJCIUVTAOOPG-YZGWKJHDSA-N 435.406 4.652 30 10 IJEE CCN[C@H](C#CCOC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227792314 RRIMZCDGESVKLV-LEAFIULHSA-N 445.559 4.506 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2235725356 NLHSCDYPEXOTAO-QXAKKESOSA-N 435.406 4.718 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)C#Cc2ccccc2Br)cn1 2235730209 VASQHUIFAQMBKI-UHFFFAOYSA-N 429.314 4.840 30 10 IJEE C#CCN1C(=O)SC(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C1=O 2294143921 UNUWDIQLHPIWEM-UHFFFAOYSA-N 428.307 4.698 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ccc(CNC(=O)OC(C)(C)C)o1 2296217298 SOFWDOSJHUMSON-SFHVURJKSA-N 433.346 4.769 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2306614522 GLBFJBPHNIKHDW-CPJSRVTESA-N 430.589 4.944 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(SCCCO)nnc2C2CC2)cc1 2320882203 QNJGJTHOVJRCSZ-UHFFFAOYSA-N 435.597 4.539 30 10 IJEE COc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccc(C)cc1 2322475043 XLVBMOMIPCQIRB-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC 2323438026 HGFUCTQRCVMYSC-LJQANCHMSA-N 445.515 4.856 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(C=CC(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] 2323959146 CLBGXINTGJYBMN-UHFFFAOYSA-N 441.480 4.838 30 10 IJEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(C(=O)OC)cc3)n2)cc1 2324505480 LKFVKDFVUWLNNC-FQEVSTJZSA-N 432.501 4.885 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2325743079 FYAUGQSAPPWSJO-UHFFFAOYSA-N 444.325 4.621 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3OC)ccc2OC)cc1 2325760718 GMPNEEQCFSYUAD-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCOc1ccc(C=CC(=O)OC2CCC(NC(=O)c3cccc(C#N)c3)CC2)cc1 2325873128 DPUNPMMEAMCURL-UHFFFAOYSA-N 432.520 4.645 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1cccc(OC)c1O 2326320723 DWNYXYGZLCDJPU-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OCC(C)C)cc1 2326810216 SMLSZBYOKAFXMQ-UHFFFAOYSA-N 425.514 4.704 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)cc1 2329249087 ZFPNYUHDKBNTDC-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCC(=O)NCCC)cc1 2331329854 OIXXWGMLVMKPMR-UHFFFAOYSA-N 445.633 4.690 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)cc1 2331382888 SEPQFNHIBDNDCF-UHFFFAOYSA-N 425.514 4.667 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)cc1 2331396333 NBZGNNXGXVOLLS-UHFFFAOYSA-N 426.517 4.676 30 10 IJEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)cc(OC)c1O 2331453574 HIMBOZHSMCETDH-UHFFFAOYSA-N 444.532 4.513 30 10 IJEE COCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 2331575064 YPLANQSTKGTSMN-UHFFFAOYSA-N 442.508 4.592 30 10 IJEE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339297699 MYRHCMRKRGVFJC-PKTZIBPZSA-N 432.373 4.653 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3ccc(Br)cc3Cl)C2)OC1(C)C 2342480967 GCLIPKMETIGFAV-GOSISDBHSA-N 428.563 4.801 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2358670825 BTDWWDSKPWLHQB-GGPKGHCWSA-N 435.406 4.720 30 10 IJEE CCN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1)C1CCN(Cc2ccccc2)CC1 2369740884 DWZMQBDWFWZJGK-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE CC(C)c1nnc(CSc2n[nH]c(NN=C(Cc3ccccc3)Cc3ccccc3)n2)o1 20909086 AMFOYLCLCQHREI-UHFFFAOYSA-N 447.568 4.857 30 10 IJEE COc1cccc(COc2ccc3c(c2)O/C(=C/c2ccc(OC)c(OC)c2OC)C3=O)c1 33514098 SCPRZRCINQYPJM-YDZHTSKRSA-N 448.471 4.916 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 35421078 KXRYQHIWWHPPPP-YXAHYSCSSA-N 431.517 4.591 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 41502033 UXESLYNHTYPUPM-FMCGGJTJSA-N 444.439 4.706 30 10 IJEE CCOc1ccc(C(=O)/N=C(/NCc2ccccn2)Nc2ccc(F)c(Cl)c2)cc1 46126337 FIBIVPBSHQQODL-UHFFFAOYSA-N 426.879 4.671 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1 59517339 NPJQPEYCRHBIJU-UDWIEESQSA-N 429.548 4.661 30 10 IJEE COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1 100347196 MDIMDDODPXNWGD-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE CCCCCCCC1=NN2C(=N)/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)N=C2S1 102446128 ZBKAEPCORURCRA-OARFDWRSSA-N 444.557 4.692 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1CCCOC(C)C 169948441 YWBSEQQSITZOQE-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@H]1c1ccc(C(C)(C)C)cc1 169975121 MJIDCDZJUQPVGA-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(F)cc2)c1 170060779 SNZKGCSKHIYELD-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE Cn1cc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c2ccccc21 170084641 PFCFPKFKQNBMIG-VWLOTQADSA-N 440.499 4.869 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(C)c2)cc1 170141958 OAGYMGBWNDXOKE-XMMPIXPASA-N 441.483 4.858 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)c1 170194255 ZIDALEHNRGXQRK-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCOC(C)C)o1 170298779 SERFGYUONHEARF-QFIPXVFZSA-N 441.524 4.687 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OC(C)=O)c1 170321363 KXRZPISFQSQISB-LJQANCHMSA-N 448.302 4.907 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccc(O)c1)c1ccco1 170388084 QOVHXVFHEFGLCB-GOSISDBHSA-N 429.350 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc12)c1ccncc1 170423348 MTPQDJLAHUMSSN-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)ccc1O 170464219 QQCBVPKPLLXDQR-FQEVSTJZSA-N 429.900 4.878 30 10 IJEE CCOC(=O)c1ccc(N=Cc2ccc(OC(=O)c3ccccc3OC(C)=O)cc2)cc1 254392398 KHBSWWHYSRSHAX-UHFFFAOYSA-N 431.444 4.758 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(C(C)=NOCc2ccc(Cl)c(Cl)c2)cc1 254765977 TUHCYGQBUAGXCS-UHFFFAOYSA-N 429.369 4.965 30 10 IJEE C(=Nn1c(-c2ccc3c(c2)OCCO3)csc1=NCc1ccccc1)c1ccccc1 254823938 DRPPUEFNBCZZTQ-UHFFFAOYSA-N 427.529 4.971 30 10 IJEE COc1cc(OCc2ccccc2)c([C@@H](N)CCB2OC(C)(C)C(C)(C)O2)cc1OC 383821729 INRXNOMKTRPUHK-IBGZPJMESA-N 427.350 4.765 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(Br)ccc1F 386171085 SLTBHOJUIABTTI-UHFFFAOYSA-N 427.111 4.653 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 441831975 ZLSKFEWYBIKXLB-IIBYNOLFSA-N 444.491 4.585 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCO1 461057322 MYPBUOHRZLYVGM-NRFANRHFSA-N 429.524 4.500 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 476078217 HFOZGRWDYBBOML-UHFFFAOYSA-N 446.638 4.956 30 10 IJEE CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 501411958 ZEYSSFSAYSXRSV-UHFFFAOYSA-N 443.551 4.872 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OCC)c(OC)c1 526823481 VQDMFRRXWPRLJX-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C4CCOCC4)CC3)n2Cc2cccs2)c1 559160169 WYNLNTYCNFZIAU-UHFFFAOYSA-N 433.581 4.570 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)(C)O)C[C@@H](O)C[C@@H]1O 575629593 WFZKUWGUJVKMHC-XKSBGPANSA-N 432.645 4.676 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N(C(=O)COc2ccc(C)cc2)C2CCNCC2)c1 585828214 PMFRNPJSVDMQOR-UHFFFAOYSA-N 449.595 4.632 30 10 IJEE C=CCCN(c1ccc(I)cc1F)S(=O)(=O)c1ccc(C)cc1 586202392 MUMZNBXZVFUVOL-UHFFFAOYSA-N 445.297 4.510 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 608941644 VWDFFWPJCOKUFK-NHTMILBNSA-N 447.535 4.583 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2 709433742 UDDQZBCOQGUWQK-KBPBESRZSA-N 433.471 4.610 30 10 IJEE Cc1ccc(CN(C)C[C@H]2CCCCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 719950341 NVHJEHLHUSBQBK-RUZDIDTESA-N 448.460 4.781 30 10 IJEE Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccc(C#N)cc3F)[C@@H]2c2cccs2)cc1 729832627 BJDGLQPFWGFBOL-HYBUGGRVSA-N 447.535 4.868 30 10 IJEE O=C(/C=C/C1=Cc2cc(Br)ccc2OC1)c1ccc(C(F)(F)F)nc1O 731564408 DJUTXFBBCJYLBU-DAFODLJHSA-N 426.188 4.783 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@]3(C)CCCN3C(=O)c3ccccc3)n2)cc1 735205703 GDVOTXNZROTAPL-NBGIEHNGSA-N 429.545 4.990 30 10 IJEE N#Cc1csc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)c1 771667036 OWTLOALBTAKIQI-LJQANCHMSA-N 428.460 4.597 30 10 IJEE CC1(C#N)CCN(Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3F)c2=S)CC1 779879451 VGWFMIFZYNJVDC-UHFFFAOYSA-N 425.508 4.932 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCCN1C(=O)OC(C)(C)C 790373397 QOPYWNJUYNJVMW-RUZDIDTESA-N 441.572 4.597 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1=S 794662336 RFIQOFLPUSLNIE-UONOGXRCSA-N 430.471 4.548 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CC[C@H]2C)ccc1Cl 920463222 BCNMASCLSCGZBD-CQSZACIVSA-N 439.364 4.609 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1 1083989256 ZHUGATHYGMEJBN-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE CC(C)(C)c1nnc(CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)o1 1084406927 UPXMQFTVSVWSMQ-UHFFFAOYSA-N 426.333 4.530 30 10 IJEE Fc1ccc(COc2ccc(C=NNc3nc(SCc4ccc(F)cc4)n[nH]3)o2)cc1 1084622481 LQIDTBRBVBCTRQ-UHFFFAOYSA-N 441.463 4.993 30 10 IJEE CCOc1cccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(Cl)c3)N(C)C2=O)c1 1084638488 FDWSYQYVIFOGLR-GOSISDBHSA-N 431.945 4.637 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cnn(Cc2ccccc2)c1Br 1125373128 ZDTWBOTWVVRGBI-UHFFFAOYSA-N 428.305 4.661 30 10 IJEE C=CCCSCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 1130881250 ASEAWTXLUMHDHW-UHFFFAOYSA-N 449.359 4.833 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(C)C)C2CC2)c1 1131487630 YVXASVRWNQBZFR-QFIPXVFZSA-N 447.000 4.886 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1OC 1149573760 GCAGCDCNQWNWCQ-NVTFYQKDSA-N 434.536 4.616 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c12 1171921060 QYKSGXOMSQYDGY-DLBZAZTESA-N 429.586 4.753 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CSc3nnc(-c4ccccc4C)n3CC)cc21 1179488904 SWWGBAKQLIGTPX-UHFFFAOYSA-N 432.553 4.540 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@@H]3CCCC(=O)N3)c2)cc1OC 1179608436 ZEDDINXLZJNAKT-IBGZPJMESA-N 445.357 4.976 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1180150205 AFDPUXKBRHPXKO-SSEXGKCCSA-N 446.594 4.895 30 10 IJEE C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1Br 1191844832 FPSWLTZVMWYSLE-YCRPNKLZSA-N 436.394 4.884 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C 1201298793 QSCMLQBFISMMCM-YLJYHZDGSA-N 447.551 4.775 30 10 IJEE COc1ccccc1CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1204807984 HTAUPGYZDZOFDW-UHFFFAOYSA-N 446.454 4.955 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1)c1ccc(C(F)(F)F)cc1 1206282693 NREIKQDBNADBOG-QUCCMNQESA-N 433.430 4.759 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CC1 1224563726 ABADTONNLOBXMJ-UHFFFAOYSA-N 440.950 4.694 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1cccc(Br)c1C 1248595284 KTVFKJVXOBJDTD-UHFFFAOYSA-N 433.394 4.865 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)c1 1264919265 NQPLGSVHMFFWSL-UHFFFAOYSA-N 428.467 4.951 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc3ccn(CCOC)c3c2)CCCN1C(=O)OC(C)(C)C 1266664448 DJMOFFJQLMDIAC-XMMPIXPASA-N 427.545 4.572 30 10 IJEE COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 1267905238 IDUKDEKVJSRHAW-GOSISDBHSA-N 428.488 4.741 30 10 IJEE C=CC[C@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)c(Cl)c1 1270228767 UQBMYWYYDKUQNX-IRXDYDNUSA-N 430.328 4.790 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1CCC 1286423971 RTTZCBYXMKBYPX-RUZDIDTESA-N 445.655 4.970 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)CCC 1286530439 MPTRDKHEONYFBP-AWEZNQCLSA-N 448.409 4.928 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1286639955 DXMFKCNBZLFZPE-AZUAARDMSA-N 432.515 4.764 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2(O)CCCCC2)CC1 1286640027 CRQLYGQGAWHTGQ-UHFFFAOYSA-N 440.588 4.593 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2CN(CC)CC)CC1 1286661612 IALGEKKATULCHY-UHFFFAOYSA-N 432.616 4.576 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1286678285 UPTKTKPJBBESIU-URVUXULASA-N 442.579 4.737 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(CCO)Cc1ccccc1 1286694395 QPCQTRGIRGXTPF-UHFFFAOYSA-N 447.402 4.734 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1nc(C(F)(F)F)cs1 1286719064 IFFILWZYNNGCLY-UHFFFAOYSA-N 427.883 4.939 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1c(CC)nn(C)c1CC 1286729495 VWKOILJYJJIBIE-UHFFFAOYSA-N 445.036 4.753 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@H](C)C1 1286741643 BJBYUSNJFSRCPT-KNQAVFIVSA-N 431.540 4.726 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1Cc1ccc(OC)cc1C(F)(F)F 1286766004 MKSQOOLHZHARAI-UHFFFAOYSA-N 434.462 4.744 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(CC)Cc1cnn(C)c1 1286770667 HXNSEMCHYGOADT-QGZVFWFLSA-N 428.968 4.634 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCc2ccncc2)cc1 1286988408 FZMZULIWODFLRK-UHFFFAOYSA-N 444.583 4.532 30 10 IJEE C=CCONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C 1297985176 MXGYMIXRZMOCLQ-UHFFFAOYSA-N 449.363 4.875 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1OC1CCCC1 1300313763 OOHBBVVCGQODRN-GOSISDBHSA-N 449.986 4.745 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCc1csc(C(C)(C)C)n1 1300322506 ULBYTWQVLQYNDA-GOSISDBHSA-N 437.613 4.620 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C)c(C)s1 1300322633 VCGHUMVEVJAUQJ-INIZCTEOSA-N 437.613 4.734 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)C1CCCCC1 1300476113 GCKDTURINCPEOB-QFIPXVFZSA-N 433.021 4.625 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1cccc(F)c1 1300516587 QFVKNZRTAQWANW-IBGZPJMESA-N 446.595 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)[C@H](C)CC 1300603944 YWYZQUUYTVWWKJ-OSPHWJPCSA-N 437.613 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC(C)C)C(C)C 1300877980 YZTGCHZTZPBHOL-OFNKIYASSA-N 440.588 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCC[C@H](C)C2)CC1 1301112380 SXYIYTGKDHKKNI-SFHVURJKSA-N 445.558 4.681 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2C[C@@H]2C)CC1 1301133890 BULXMHXXUGHVCU-DOTOQJQBSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCN(CCC)C1)C1CC1 1301317664 WNUPSSRDRFRFMI-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CCCN1CCCCCC1=O 1301351300 OZXQDLLCTLDSFD-UHFFFAOYSA-N 439.579 4.670 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCCN(C3CCCC3)CC2)nnc1C(C)(C)C 1301536600 XWAFDWNHYYORCN-UHFFFAOYSA-N 437.632 4.643 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1301601991 WOSAEVLRLLAVNI-PMACEKPBSA-N 427.643 4.846 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1301602851 XFFCGAIFXCHOEP-RBUKOAKNSA-N 442.629 4.898 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C)[C@H]2C)n1 1302540873 DFKVYEHRGMWEFH-CVEARBPZSA-N 438.626 4.775 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1 1306865330 IZXRNEBMBYVNCE-UHFFFAOYSA-N 432.358 4.821 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1cccc(Cl)c1 1307321665 IWOBTYYWRQFJMU-UHFFFAOYSA-N 446.001 4.851 30 10 IJEE C#CCN(Cc1ccc(COCCOC)cc1)[C@H]1CCOc2ccc(Br)cc21 1308635110 UVFDLSRPMZSQTN-QFIPXVFZSA-N 444.369 4.571 30 10 IJEE Cc1c(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)sc2ccc(C#N)cc12 1309375036 CUYYUDHUEIHLKK-QGZVFWFLSA-N 442.562 4.881 30 10 IJEE C#CCN(C(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 1309999847 SBZZYBORQMNPBU-HXUWFJFHSA-N 437.496 4.937 30 10 IJEE C#CC1(NC(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CCCC1 1310007088 ZGCLDMJBTLCVFZ-UHFFFAOYSA-N 435.524 4.804 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCN(C)CC(F)(F)F)c1ccc(C(F)(F)F)cc1 1311558543 LGNFYSLZUGMMFL-MRXNPFEDSA-N 425.417 4.896 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccc(F)cc1 1312933664 CZYUFIPVFZWMFM-RTWAWAEBSA-N 443.563 4.759 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 1313098537 VXXRYLOJKPTZBP-UXHICEINSA-N 449.776 4.872 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1313769604 HLLNFAVOCTUNGX-PMACEKPBSA-N 437.588 4.560 30 10 IJEE C#CCCCCCC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1350627639 CCQACMLGNFSVFU-UHFFFAOYSA-N 425.554 4.551 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c(C(=O)OCC)c1C 1352792779 FGMGHAOGJINKIK-DZGCQCFKSA-N 449.475 4.596 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1355913045 IRHLTQLEWUPCOS-VWLOTQADSA-N 443.588 4.633 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@@H](C)C1 1358912002 HQJAYIZPJFWPTK-NHCUHLMSSA-N 443.636 4.823 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](OCC)c1ccccc1 1358942234 NPZWLBGUWJBMDO-INIZCTEOSA-N 445.386 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1nccs1 1359090560 CQKUDYTXLYJYPA-VWPQPMDRSA-N 437.613 4.894 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1359161488 GCHZJOLIVXKAFJ-OAQYLSRUSA-N 439.604 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCC(C)(C)COC)CC1 1359162054 BJQBYBPQVKUQPO-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1C(C)C 1359188881 WODNBZIVRHSCLA-OAQYLSRUSA-N 437.636 4.679 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1359198310 NKGOJJVVVOQTPW-NHCUHLMSSA-N 440.588 4.781 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359210079 JCJBEWRYLRWKJY-MJGOQNOKSA-N 431.378 4.679 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H]1CCOC1 1359222711 PXZFCXCNSRZPDO-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1359247650 KZTSCENZRUKPSK-DNVCBOLYSA-N 448.409 4.642 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1CCO[C@@H](C)C1)C1CC1 1359248241 GIUHPWIFHDLSLW-DLBZAZTESA-N 430.980 4.967 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1cscc1C 1359254215 IWNZNUSVEHAPHK-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1Cc1nccc(C(F)F)n1 1359254774 CHYOTMDMCMYNFY-UHFFFAOYSA-N 440.498 4.523 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC1(C)C 1359256674 MWMGWWOCVXUBFX-FQEVSTJZSA-N 432.597 4.744 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@H]1CCCCN1C1CC1 1359261088 WBNXHDLTKVQZNV-JOCHJYFZSA-N 425.596 4.825 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(Cl)c1 1359290564 HNZKFJZDSDYMFA-SFHVURJKSA-N 431.968 4.826 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 1434951618 AAGWDYALHMAASU-UHFFFAOYSA-N 448.935 4.664 30 10 IJEE N#Cc1ccc(F)c(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c1 1436621082 HQKJLTKBMNBMLO-UHFFFAOYSA-N 433.668 4.610 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@]2(C)CC=CCC2)c1 1436665893 YVGZSHLKVOHFAW-HSZRJFAPSA-N 444.984 4.950 30 10 IJEE CCOc1nc(C(F)(F)F)ccc1C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 1436866370 DJACBHFYIIWXPX-UHFFFAOYSA-N 426.398 4.613 30 10 IJEE CCC(CC)(CNC(=O)c1ccc(Br)cc1C#N)N[C@@H](C)c1ccccc1 1444086710 CCXFJEXHJIFMPF-INIZCTEOSA-N 428.374 4.960 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)C(=O)OCC 1449695352 MDCWPKWPIGQBCN-IBGZPJMESA-N 446.341 4.656 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCCN2CCC3(CCCCC3)CC2)c1 1457772212 DKPJQCMSANPZFL-UHFFFAOYSA-N 431.580 4.913 30 10 IJEE C=CCn1c(SCc2cc(OC)cc(C)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1458735528 RHQWMJCMZWDTIA-ZDUSSCGKSA-N 427.595 4.773 30 10 IJEE C#CCN(CC(=O)Nc1sc(C)c(C)c1C)[C@H]1CCOc2ccc(Br)cc21 1459510121 JGSFRNCBTOGAAP-SFHVURJKSA-N 447.398 4.833 30 10 IJEE Cc1cc(C)c(CCNC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1 1459672543 AIVOPKBODCYASK-UHFFFAOYSA-N 443.566 4.984 30 10 IJEE C#CCCOc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2CC)cc1 1460650279 CLUGPOZCRUOHCG-QHCPKHFHSA-N 436.552 4.647 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)c1ccc(Br)cc1 1468450316 FCNGAKOCUZAOAN-GOSISDBHSA-N 442.357 4.782 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1F 1475286298 RDJHIFYSJUAEBY-AWEZNQCLSA-N 426.218 4.804 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 1477411448 WPAMZZOHNARKBG-UHFFFAOYSA-N 438.494 4.831 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCC1 1500858079 GKWQTDRIKUBWLP-UHFFFAOYSA-N 448.640 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(CC)C(C)C 1507518303 UCUQNRJYCLGAEE-VQTJNVASSA-N 446.039 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCCCCC1 1507523889 SEWFMJGDBDOILO-QGZVFWFLSA-N 445.405 4.559 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1507526455 HNJFAULQLGSMON-XLIONFOSSA-N 425.964 4.733 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1507556595 BJBJUCVVNJUXAL-OAQYLSRUSA-N 449.511 4.738 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCOC1CCCCCC1 1507671892 RUEWSOPZMXGUII-UHFFFAOYSA-N 443.595 4.553 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)C1CCCCC1 1507805118 IUNOLNPPIJLSIO-BWKNWUBXSA-N 449.599 4.869 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCc1ccc(Cl)cc1 1507867083 GOIIRXOTKQMSAJ-UHFFFAOYSA-N 441.366 4.601 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCCn2cccn2)CC1 1507877765 GEEIUCYSKVWDDC-UHFFFAOYSA-N 434.588 4.813 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1507904721 OQYWHNHJKDQKEV-LJQANCHMSA-N 427.662 4.843 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)c1ccccc1 1507923851 DQFDXIKCCGWWQS-HSZRJFAPSA-N 435.616 4.612 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2nc(C)no2)CC1 1507943739 LGTRDOIGHOGUOO-INIZCTEOSA-N 440.523 4.599 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1507949787 LHYVUEHBSSRHMP-NRFANRHFSA-N 439.604 4.637 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Br)n1CCCOC 1508009575 SPRRPTXLXJGFLA-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)C 1508021076 PZADIPLQACVQQF-UHFFFAOYSA-N 426.362 4.847 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)C(F)(F)F 1508037795 KFOYVHKXQPUIJU-UHFFFAOYSA-N 434.865 4.965 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc(F)cc1 1508430622 CGFLHYCVPKRAJE-IOMROCGXSA-N 441.595 4.909 30 10 IJEE CC1(C)CCC(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)(C(N)=O)CC1 1519699185 BWOMQMMFQNONRK-UHFFFAOYSA-N 425.916 4.558 30 10 IJEE CSC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)CCC1 1519914290 ALVOTFVFIAXVGC-SFHVURJKSA-N 440.375 4.980 30 10 IJEE COC(=O)c1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F 1521109348 IFFIRPFXAMOCHW-UHFFFAOYSA-N 439.283 4.667 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1527614933 AGNLUODWLVVUHD-QFIPXVFZSA-N 434.536 4.864 30 10 IJEE CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1 1529253969 FXHDXBAGZMTGPD-HNNXBMFYSA-N 427.957 4.950 30 10 IJEE Cc1cc(-n2cncn2)ccc1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 1530343521 BGJBDDIHNHABGO-UHFFFAOYSA-N 427.895 4.948 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 1530713354 QYLNBGPIGUKLQV-KRWDZBQOSA-N 429.541 4.688 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(CC)CC2)c1 1531810627 XKPVCIKXYACXDT-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(OC)c3)cn2)cc1 1535141627 NBJPKVNSSIEMCN-UHFFFAOYSA-N 443.503 4.949 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC1CC(OC(C)(C)C)C1 1539030102 NOCCNGFATUWROJ-ZJOBEGKPSA-N 438.616 4.916 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CC 1539351537 YEYLZACKPQXJTO-HXUWFJFHSA-N 425.646 4.609 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c1 1539458367 LYHZSTWIHCOPOJ-OZOXKJRCSA-N 444.984 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCC1(C)C 1539542074 SCQKHDYRNLVDED-OPAMFIHVSA-N 444.421 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccsc1 1539548018 DAOJRLPQBCYCPH-XMMPIXPASA-N 436.581 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1539632286 QNNUZWZWJJYBNQ-OFVILXPXSA-N 437.632 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@H](C)C1 1539660037 QEMIXJAMBXXZOA-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1539774933 HBCKDNFETXOSSM-FUHWJXTLSA-N 434.943 4.563 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCc2nnc(C)s2)CC1 1539829529 ZVWLAIUTVOMZNS-GOSISDBHSA-N 438.601 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC=C(C)C1 1539903258 VIPIIOWLLZBTBF-UHFFFAOYSA-N 427.980 4.620 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1539916273 ITAUMOIXYBURHX-BGYRXZFFSA-N 443.636 4.841 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C)CC1 1539952457 DAYCLBMIFQCCNL-SFHVURJKSA-N 444.649 4.529 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1539988907 JNLDTJYDOZWGSK-INIZCTEOSA-N 428.943 4.506 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccoc1C 1540021240 OOJFIFCOIWEVHL-IBGZPJMESA-N 429.565 4.854 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)COCc1ccccc1 1540051833 PWCYJJBLXICOQF-INIZCTEOSA-N 444.377 4.511 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1540128034 ZSOBUQJYNNMCMI-FGZHOGPDSA-N 432.616 4.834 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCS1 1540180721 TWMSBBOZYNWURX-RUZDIDTESA-N 433.625 4.785 30 10 IJEE CCCNc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1545770304 CJIMDKVPCYFITK-CQSZACIVSA-N 431.323 4.679 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)c2)cc1 1562351745 HQDLQTMRKYMOIT-JOCHJYFZSA-N 446.894 4.931 30 10 IJEE Cc1ccc(NC(=O)C2CCN(C(=O)Nc3scc(C(C)(C)C)c3C#N)CC2)nc1 1562850793 BMYPPOZREJEFSG-UHFFFAOYSA-N 425.558 4.503 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cnccc1C(F)(F)F 1562929251 NBAKIIUHIFHACB-UHFFFAOYSA-N 430.224 4.749 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)c1ccc(Cl)cc1F 1565002544 LFYMTUXSQDYXRG-GBESFXJTSA-N 441.717 4.760 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1c2ccccc2OC[C@H]1F 1565341606 LQZGUZIBOMCMAO-MJGOQNOKSA-N 437.284 4.758 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21 1566161246 XJJZIRNOXYLKAM-UHFFFAOYSA-N 448.420 4.672 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F 1567201058 PFWSYSMFSXNABG-AWEZNQCLSA-N 431.414 4.669 30 10 IJEE C#CCN(C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C1CC1 1583095381 RTHUFTMMZOIMHA-UHFFFAOYSA-N 443.494 4.820 30 10 IJEE CC1CCN(c2ccc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)cn2)CC1 1584393430 ADFWGQQWJSVESM-QGZVFWFLSA-N 430.474 4.891 30 10 IJEE C=CCn1c(SCC(=O)Nc2c(C)noc2C(C)C)nnc1-c1ccc(Cl)cc1 1584755365 NSCHWICTVNKOCM-UHFFFAOYSA-N 431.949 4.935 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1587746136 KJETUHHYPAOEQK-UHFFFAOYSA-N 447.627 4.676 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(OCC)CCCC1 1588266915 XLDDRNICMVWAOM-GOSISDBHSA-N 430.980 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1sc(C)nc1C 1588292815 CPXSMWXTKLNWKZ-UHFFFAOYSA-N 437.613 4.951 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)C[C@@H](C)C1 1589567554 FBCMFEWJOUGNCV-SMISUXHESA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nccn1C(F)F 1589599972 QTXOJSGLSAMBMK-UHFFFAOYSA-N 426.515 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H]1CCO[C@H](C)C1 1589640887 BIDYFAFFEOUEPP-NHCUHLMSSA-N 434.588 4.738 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1589652450 VHPXVKPSGDIJCJ-LSDHHAIUSA-N 439.482 4.702 30 10 IJEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1Cc1cn2ccc(C)cc2n1 1589675390 CBNZUMZSFJQTBU-UHFFFAOYSA-N 428.584 4.860 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1593923249 HHMMPZRSAIQCQU-SJORKVTESA-N 437.009 4.729 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCCCCO)CC1 1594208536 JZZPRGYJBRPNCK-UHFFFAOYSA-N 433.394 4.663 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1594573511 SLPSSFIIGFYJIA-RTBURBONSA-N 438.551 4.641 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1594581944 IAPTUOKWKIFLPG-PXNSSMCTSA-N 444.421 4.737 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCO[C@@H]1C(C)C 1594913789 OQNAADDAYWAXIA-NFBKMPQASA-N 442.604 4.814 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCC(F)(F)C1)C1CC1 1595026618 PMJONFJCTYBNBR-AVRDEDQJSA-N 438.563 4.689 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCN1CC 1595239810 SWQCPCVZQKMHNW-DNQXCXABSA-N 437.632 4.629 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 1595900835 KRFBJVSSNAODCO-QHCPKHFHSA-N 443.592 4.516 30 10 IJEE C#CCOc1ccc(C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1598543351 SAMUNPVXYUSRCB-HXUWFJFHSA-N 440.584 4.588 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3c(Br)cccc3C2)CCCN1C(=O)OC(C)(C)C 1610912376 JYCOXGJWIBTRED-QFIPXVFZSA-N 449.389 4.680 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCSC1 1611734516 HRMFSULBSYPWID-PKOBYXMFSA-N 443.592 4.830 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N1CCCC1 1614746163 DOHIJMBLOVFKGV-QFIPXVFZSA-N 432.572 4.873 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](COCc2ccccc2)C1 1615659288 CGBVXFALAZSWDJ-ICSRJNTNSA-N 437.609 4.754 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(C)c2I)cc1OC 1617753341 WXOUALVESODDSF-LUAWRHEFSA-N 449.288 4.825 30 10 IJEE C#CCn1cc(CNC(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)cn1 1618800475 JNXKLBBCOJZHCZ-FQEVSTJZSA-N 430.360 4.973 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccc(C3(C)OCCO3)c2)cc1OC 1620948888 UFEFPBATMIEXAT-UHFFFAOYSA-N 448.357 4.532 30 10 IJEE C=CC[C@H]1N(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCCC1(C)C 1634973548 WOFHLFHWHIDVBO-MRXNPFEDSA-N 433.350 4.775 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 1638616058 BWZZPNWWVRMDON-INIZCTEOSA-N 445.485 4.674 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(Br)c(F)cc3C)n[nH]2)c1C 1640033135 RSSRWFHRCXYWHG-UHFFFAOYSA-N 432.297 4.538 30 10 IJEE Cc1ccc(Sc2nsc(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)n2)cc1 1650841518 CEIQVSGVRCTSCB-UHFFFAOYSA-N 432.534 4.616 30 10 IJEE Cc1sc(NC(=O)CN(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C#N)c1C 1652899495 GNXPFPOHNVXJDA-UHFFFAOYSA-N 446.620 4.809 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCc3c(Br)ccc(F)c3C2)c1C 1654081846 CWXVJOJFVWQZCQ-UHFFFAOYSA-N 444.348 4.510 30 10 IJEE C=C(C)[C@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1655390630 RKUOCYVZGCLTGO-FQEVSTJZSA-N 439.484 4.633 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)Cc2cc(C#N)ccc2F)c1 1661605886 CJVHVOJAWXPZNQ-UHFFFAOYSA-N 439.899 4.759 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)Nc2cc(Br)ccc2OC(F)(F)F)c1 1662884833 FWPAMRZFJDQHNZ-UHFFFAOYSA-N 432.171 4.680 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(OC(F)(F)F)cc1Br 1669487189 ZXWOKNJGVGRBMC-UHFFFAOYSA-N 443.219 4.681 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F)c1ccc(Br)cc1 1670941401 UHGFVPQFCUVFBX-IRXDYDNUSA-N 441.247 4.735 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 1672209488 DUWOQVIMCGIUOJ-CYBMUJFWSA-N 444.329 4.781 30 10 IJEE Cc1cc(NC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(C#N)cc1N(C)C 1672555248 HHYBCKWOXBODGW-INIZCTEOSA-N 433.339 4.925 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)[C@@H]1CCCO1 1673342649 NXOCQUOPMVAFST-MOPGFXCFSA-N 433.277 4.683 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)C[C@H](O)CCO3)cc1Cl 1673458176 DRJMEVGIWRWTIW-CTNGQTDRSA-N 439.943 4.533 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 1674362535 AXLZOEFJNZOMQE-JXFKEZNVSA-N 448.405 4.944 30 10 IJEE C#CCOc1cccc(NC(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)c1 1674518946 NRXWVBVLOHQLMF-UHFFFAOYSA-N 441.325 4.561 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 1677417104 HNTTZNLWCCVSOY-YADHBBJMSA-N 440.588 4.708 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 1681648331 HPOGDEALQOACKH-DEOSSOPVSA-N 444.510 4.981 30 10 IJEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3(c4c(Cl)cccc4Cl)CCC3)C2)nc1 1681903585 FJGYTHCPGRJSGA-MRXNPFEDSA-N 445.350 4.545 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1oc2ccc(F)cc2c1C 1690028422 VPXCPGARKDGKRC-AUSIDOKSSA-N 448.542 4.512 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCN(CCC)C1 1690060839 KGOFZTAVCGPIEG-QHCPKHFHSA-N 444.627 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)(C)CC1 1690240759 KJVWGWMRLGWYJH-KNQAVFIVSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](CC(C)C)C1 1690287856 XMWDYBZATWCVIP-LJQANCHMSA-N 431.625 4.841 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H](OC)C(C)C)CC1 1690368901 PRUKDHVFSPYVPI-JOCHJYFZSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(CC(=O)NC)CC2)nnc1C1(c2ccccc2)CCC1 1690439368 DFAXUGAVGDJBNH-UHFFFAOYSA-N 449.643 4.703 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(OCCN2CCCC2)CC1 1690477516 AEOSATYAUIGGAV-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(Br)cs1)C1CC1 1690539846 OWBJZASIFCPDDF-UHFFFAOYSA-N 440.370 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCc1c(C)noc1C 1690577689 LGVZVNTVGKSBEP-UHFFFAOYSA-N 434.569 4.750 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1=CCCCC1 1690611471 NAXYOJDZSAIFHI-UHFFFAOYSA-N 449.368 4.986 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H]1CCC[C@H](C)C1 1690663538 ZPGUAJLSUVESAQ-HKUYNNGSSA-N 441.645 4.593 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C2CCC2)cc1 1690678909 FBZHUBBUUWFCCU-UHFFFAOYSA-N 442.361 4.638 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ncc(CC)s1 1690737169 BZSRJEHCEHQCMJ-UHFFFAOYSA-N 435.022 4.568 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1C[C@@]1(C)OCCc2sccc21 1691007793 ARJDNBHOCFLWFO-UQBPGWFLSA-N 449.624 4.599 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc(C2CC2)cs1 1705477623 QLVAZVVBJSAZOA-SJLPKXTDSA-N 435.597 4.875 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)CC(C)(C)C1 1705653163 ANOQZCIKFIHKEQ-MSOLQXFVSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]2CCC[C@H]21 1705656455 YBSLPGMTLUOBOK-VQIMIIECSA-N 431.005 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1705674093 ZBLMZKQXOGTYIM-IPVFLDMMSA-N 437.607 4.834 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)nnc1C(C)(C)C 1705692957 YJOKUPXDJFJUHL-LJQANCHMSA-N 442.405 4.815 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(Cl)c1 1705703760 OSDNDBZHAGBCAE-GHTZIAJQSA-N 425.964 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1705718946 FUSIZJIKTDJIBC-JOCHJYFZSA-N 437.632 4.948 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1705731931 ITYAXYIPJUCZJY-HKUYNNGSSA-N 431.378 4.597 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H](OC)C(F)(F)F)CC1 1705782766 HPXQDNWWYFUWGX-SFHVURJKSA-N 444.448 4.517 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 1705796975 NXUJWAVGOHNWAM-XUZZJYLKSA-N 449.643 4.675 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1705798498 SYCJHTNRHJCCPR-XMMPIXPASA-N 444.627 4.544 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705812472 ATWKZWFNJJHRDG-QGZVFWFLSA-N 445.995 4.916 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(C)C1CC1 1705842915 UZEBXRMGHYSDML-GOSISDBHSA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCO[C@H]1C(C)C)C1CC1 1705858847 XQLLFUGVHUIVEZ-JPYJTQIMSA-N 428.552 4.602 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCCN1CCCC[C@H]1C 1705861739 NHDPLKBJFFYKOD-VWNXMTODSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CC(C)(C)C1 1705863725 CNLGIWSNMSZHKK-UNMCSNQZSA-N 442.579 4.770 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCc1nnc(C)s1 1705870843 YWWQSEXWQBPUOP-UHFFFAOYSA-N 445.596 4.773 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1F 1705889728 ABSNFGKQFNFCNB-QZTJIDSGSA-N 443.567 4.915 30 10 IJEE COc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1C[C@H]1CCO[C@@H](C)C1 1711947414 DKLRFFYBJHTFIN-PMACEKPBSA-N 425.577 4.535 30 10 IJEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C1 1712347171 FVKBRMPKIGKKKS-SFHVURJKSA-N 435.597 4.719 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1csc(-c2ccco2)n1 1722290556 MOEQEFNTIACONG-HNNXBMFYSA-N 437.956 4.745 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)C)CC1 1722308361 LOXYNDBTFXJNOK-IBGZPJMESA-N 428.552 4.755 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722316560 FJZOGOCUXQKCLY-HSZRJFAPSA-N 448.659 4.548 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1722340992 OULPUDKGBHXSPH-RBZQAINGSA-N 449.643 4.715 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(OC)CCCCC1 1722391496 OHHLIZLFYIAJNL-UHFFFAOYSA-N 430.596 4.560 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1scnc1C 1722456450 UGRSURGLUIRZOS-UHFFFAOYSA-N 435.981 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCN1CCCC 1722472879 VDFYXVKHUOQMLB-WNCULLNHSA-N 449.643 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1C(C)C 1722495908 ULZQIAOLZAOIHU-YSZBQJHXSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Cl)cc1 1722508835 UOBPHPWAGADLES-NQIIRXRSSA-N 425.964 4.587 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[C@H](OCC)C(C)C)CC1 1722560828 KAQZCPLKHINRCF-QHCPKHFHSA-N 434.588 4.943 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCCC2(C)C)CC1 1722563933 CRPPYDCSXDGFMR-KOSHJBKYSA-N 428.552 4.655 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722569152 OMHOSGPUDSFLKZ-CTNGQTDRSA-N 443.636 4.813 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(CC)CC2)CC1 1722577197 ADXGGZDPVVLVBQ-UHFFFAOYSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](OC)[C@H](C)CC)CC1 1722579013 GJAFVENPNOJPFK-XXBNENTESA-N 426.605 4.937 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722597857 SYUHXBOFXYASDL-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1722604773 KHJARZMOVBLFQT-UHFFFAOYSA-N 442.583 4.763 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCNc1ncc(Cl)cc1Cl 1722653187 VECMGTBXYPSZNT-UHFFFAOYSA-N 447.370 4.602 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCCC1CCCC1 1722659958 IICNQSJOIQMRPZ-OAQYLSRUSA-N 425.552 4.531 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1CC1(C)CCC1 1722663310 VDGGQCXHSWFPNL-UHFFFAOYSA-N 441.626 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCc1sccc1C 1722665940 PZENJRRSDUTVTM-UHFFFAOYSA-N 446.418 4.837 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)s1 1722676084 YNBIXKSQWPRPQO-UHFFFAOYSA-N 446.624 4.793 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(C)(C)C)C1 1722713562 FNJZBCZDGYIDBC-MRXNPFEDSA-N 436.398 4.643 30 10 IJEE CC(C)Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccccc1F 1723291627 DRGXTJZFEMAUNF-UHFFFAOYSA-N 438.391 4.985 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCCC1(C)C 1723390005 AEJBAAFBAXGUBV-RUZDIDTESA-N 441.595 4.715 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCCCCC2)nc1 1740541372 XTYDFAFLEBUZTR-NRFANRHFSA-N 442.611 4.789 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](OCC(C)C)C1 1740582518 OJPDQEKCOSEBRV-HXUWFJFHSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1740591658 UWLXOMFDIYBMMB-OAQYLSRUSA-N 427.980 4.667 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCC1CCN(CC)CC1 1740677224 GYAAGFWSRKODRF-UHFFFAOYSA-N 449.574 4.747 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1740718299 LSVVYHRGIVJVOB-UHFFFAOYSA-N 446.567 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740770302 NLZPDHWAMGJXTK-RTBURBONSA-N 432.012 4.500 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740783097 MOBSTOVILQIZKC-HXUWFJFHSA-N 443.586 4.816 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(CCOC)CCC2)CC1 1740817741 RRCPYZICYVHSMX-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCSc2nccs2)CC1 1740829864 NNHXBKRFVYRJGM-QZTJIDSGSA-N 447.674 4.992 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCCOCC)CC1 1740843064 WVUMVUBGISGIIU-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1740853964 BXNNFUMBZNGZDS-HSZRJFAPSA-N 442.567 4.865 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740886357 DYZPZAFNPRJLFN-VQIMIIECSA-N 447.505 4.578 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)NC(C)C)C1CC1 1740906478 PCMBYAJYNAETAK-UHFFFAOYSA-N 444.004 4.883 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CCCNC(=O)OC(C)(C)C 1740927479 HVGAQHASIZHJNA-UHFFFAOYSA-N 431.968 4.692 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccccc1C 1740954450 MUQWNUAGPVHISI-UHFFFAOYSA-N 449.624 4.523 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1741000823 HCVDFVXTBHXSQH-QFIPXVFZSA-N 444.620 4.944 30 10 IJEE C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1743105684 AZZYFKVZCCTFSK-ZDUSSCGKSA-N 432.475 4.523 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1748707867 MLKADLNJYIZVBS-UHFFFAOYSA-N 447.974 4.670 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1C 1748882268 MXKVHFCFADJDDD-LJQANCHMSA-N 428.605 4.951 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1749072430 NLMYLYQCPNZRFM-QDPGVEIFSA-N 447.671 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(CC)CC(C)C 1749135313 DMQYLDMUZLTRFJ-QPPBQGQZSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1C 1749140705 SAASPCBIOLLCJJ-MDNUFGMLSA-N 442.579 4.975 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(SC)CCC1 1749142076 OOUBWXFSEWCIND-UHFFFAOYSA-N 427.618 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1749293631 RWYPJKCDFIFEOO-INIZCTEOSA-N 439.913 4.639 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749358500 AVTAGPKYFJZWOZ-HXUWFJFHSA-N 437.632 4.926 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@@H](C)C1 1749367645 YATCSZAFWQDJDJ-HXUWFJFHSA-N 437.636 4.681 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C1CCC1 1749447775 NYDFSOTVRSQQHK-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N(C)Cc1ccc(Br)o1 1749451743 FLIOGSWYYJCFRQ-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(N(C)C)CCCCC1 1749473323 FFDXCAHDEYTUTJ-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1Cc1cc(C)on1 1749554080 ZSLGDGPJFFENLH-UHFFFAOYSA-N 439.516 4.595 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(OCc2ccccc2F)CC1 1760135086 IKGUINUIWIGUFM-UHFFFAOYSA-N 447.558 4.777 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccsc1)N(CC)CC 1760294521 ZJLRWGBJTWBJRT-ZFGGDYGUSA-N 441.645 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1cccc(CN(CC)CC)c1 1760297349 PHTBNRARBGPKIL-HHHXNRCGSA-N 433.644 4.893 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1760323288 BVHYYFDBYJAQAD-NZQKXSOJSA-N 439.560 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(CC)C1 1760330231 WEMGAWCEWOUOCD-FCHUYYIVSA-N 425.621 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCC(F)(F)F 1760336235 WIPLMNZECXUFIZ-KXBFYZLASA-N 433.478 4.796 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1760403473 UDHLCFXEGCQJDP-HXUWFJFHSA-N 425.596 4.532 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1scnc1C)c1ccccc1 1760417558 FKMWPRGZYDNLGY-NHCUHLMSSA-N 437.613 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCCCCC1 1760491834 WAMURGXABLVTKL-UHFFFAOYSA-N 445.405 4.971 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C3CCCCC3)CC2)cc1 1760531588 TZRQSYRMHFEVPT-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCCC[C@@H](SCC)C1 1760534332 WAIMDFQZFCESIZ-OAQYLSRUSA-N 426.630 4.956 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)C)C2)on1 1762176431 AKAJZEMTELTTSF-HSZRJFAPSA-N 448.571 4.618 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1762938846 FIGLYBOVEUMUJY-SFTDATJTSA-N 446.643 4.762 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1)SC 1764021463 DPELFQNIYCQDCM-SFTDATJTSA-N 439.629 4.744 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12 1858243152 SZIMRPAZNKKRLV-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE C[C@H]1CN(C(=O)Oc2cccc3c(NC(=O)c4cccc(C#N)c4)cccc23)C[C@H](C)O1 1858955118 WMNDVRDKINKLFY-IRXDYDNUSA-N 429.476 4.572 30 10 IJEE CCOc1ccccc1NC(=O)[C@H](C)Oc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860132301 FSAYVZYXZUGMFX-KRWDZBQOSA-N 429.476 4.615 30 10 IJEE CCCCCCCCCNC(=O)Cc1csc(NS(=O)(=O)c2ccc(C)cc2)n1 1860359887 WFNCPFQQMWODJP-UHFFFAOYSA-N 437.631 4.662 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)C(=O)/C=C/c1ccc(F)c(Br)c1 1860725969 DRRZNGIHQYPPSC-GQCTYLIASA-N 426.669 4.780 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 1860729585 KUKGJVIRIGSJHL-OQLLNIDSSA-N 431.488 4.894 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 1860734781 QHOCKQBJGFUBPL-JQIJEIRASA-N 429.516 4.972 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(OCC)cc2)cc1 1862393117 OFXAYGKUXHPVGU-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C(=O)O)cc1C 1862407553 QQYAJQKXUVXHAH-QFIPXVFZSA-N 449.503 4.613 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc2c(c1)OCCO2)c1cccc(Cl)c1 1862449366 KBJQUCTYTBFDSY-NRFANRHFSA-N 439.895 4.632 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862494612 CYSZPWXAFPDQLX-XUZZJYLKSA-N 449.547 4.850 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862520014 YFFCUMZTOPTTBF-NRFANRHFSA-N 437.492 4.552 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538825 QOJMLOZINRWORZ-LJQANCHMSA-N 434.319 4.781 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(=O)O)cc1 1862546954 JLUGEIQBSGOXRT-OYHNWAKOSA-N 433.504 4.640 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc(Cl)c1 1862569285 JJEBRHCDECPVPY-ZUOKHONESA-N 429.900 4.734 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1CCOc1ccccc1 1862673943 HQUKOEKMNZPDCB-QHCPKHFHSA-N 431.463 4.791 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(Cc2ccccc2Cl)C1=O 1863430588 JWDCULQKGFJSMG-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863501499 JUPITOOOCXHRKH-UHFFFAOYSA-N 432.483 4.740 30 10 IJEE CCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(Cc2ccccc2)C1=O 1863539167 GJOLWQUEIKRVTI-UHFFFAOYSA-N 447.579 4.875 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@H](c1ccc(F)c(C)c1)C(C)C 1868710069 CHNWFBLRCFRIGF-UNMCSNQZSA-N 434.621 4.702 30 10 IJEE CCc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1cc(C(C)C)cc(C(C)C)c1 1870157842 LXBQFZKIEBIIQC-UHFFFAOYSA-N 431.540 4.966 30 10 IJEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1871011167 ZYORLGBXBBUKSH-UHFFFAOYSA-N 431.294 4.967 30 10 IJEE CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(N(CC)CC)cc1)C3=O 1871350834 WTBFXSFMEOGTQD-JLPGSUDCSA-N 436.552 4.728 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)ccc3C2=O)c1 1871420609 GCRAAIMIYKCGQP-CFRMEGHHSA-N 443.455 4.532 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)NCc1ccccc1Cl 1871448760 ZMUVKEWVYSHLKJ-JJFYIABZSA-N 437.854 4.791 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)CCCC 1871821944 KAMVBMNHGLANAU-NRFANRHFSA-N 440.675 4.707 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871835806 SMDOHUSMQBUMCZ-JOCHJYFZSA-N 446.638 4.747 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872433105 FVQZELKHOMEWQT-IBGZPJMESA-N 441.380 4.896 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 1872771151 NGFFYWGETQLCBL-HNNXBMFYSA-N 443.868 4.879 30 10 IJEE COc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(C(C)C)C3)n2)cc1C(C)C 1872779246 FJVAYRNUNVXXAZ-VQIMIIECSA-N 439.581 4.684 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC(C)C)cc2)=C(c2cccc(Br)c2)C1=O 1873228511 TZAHMBCOYYEBFY-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C2CC2)ccc1OCc1cccc(Cl)c1 1873502536 MZIPVULYSQRVQK-FSJBWODESA-N 428.945 4.958 30 10 IJEE O=c1c(Cl)c(N/N=C/c2ccc(Cl)cc2)cnn1-c1ccc(Br)cc1 1873529645 VVPLSNQZMWGFIR-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCC(Cc3ccccc3)CC1)n2CC 1873545864 SBLJSECZZGMGGC-UHFFFAOYSA-N 443.595 4.725 30 10 IJEE COc1cccc(/C=N/Nc2ccnc(Cl)n2)c1OCc1ccc(Br)cc1 1873795227 CRYIIDSOZRDLMP-FOKLQQMPSA-N 447.720 4.926 30 10 IJEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccnc2)c1 1874353895 HRNHUYBUDJJRPD-VULFUBBASA-N 433.512 4.704 30 10 IJEE C=CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(OCC)c(OC)c1 1874362265 WIPRWPGKTQSOTG-KOEQRZSOSA-N 436.581 4.939 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2/N=C/c2ccccc2)cc1 1874411750 KMUZXDWSMUACIU-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 1874416169 BVVYYBFDOXVIIE-CVKSISIWSA-N 446.507 4.881 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1Cl 1874430346 DDXKWXXMCLBLGU-FSJBWODESA-N 428.945 4.772 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccccc1OC 1874494865 IWHKUBSASPIQPA-MFKUBSTISA-N 449.580 4.730 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccc(Cl)cc1 1874503357 DLBVPNHHZOJMGA-YDZHTSKRSA-N 427.961 4.805 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2c(c1)OCO2)Nc1ccccc1 1874583095 WMKYVNYCLRKHDD-RMKNXTFCSA-N 435.863 4.982 30 10 IJEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(F)c(F)c3)cccc2OC)o1 1874584913 HRHRQQHEGNHALH-JXMROGBWSA-N 428.387 4.828 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c1 1875101478 CDZQLPIULRWGAH-VZUCSPMQSA-N 448.387 4.627 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1C 1875150262 DNZHNKMGUMUSKI-IZZDOVSWSA-N 430.456 4.913 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cnc(C)cn1 1875171329 QXOOWGLVUUKYEW-VQHVLOKHSA-N 446.503 4.924 30 10 IJEE C=CC[C@H](C)[C@@H](NN)c1sc(Br)c(Br)c1Br 1903161887 TUQLNJXQNWUWFU-YLWLKBPMSA-N 433.007 4.752 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1922082577 IFRKJKDZIOIJLV-FXSPECFOSA-N 446.632 4.526 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@H](CN)c1scc(Br)c1Br 1930752719 SWZQSAGDLFDTLS-SNVBAGLBSA-N 440.201 4.696 30 10 IJEE CC1(C)CC[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)N(C(=O)OC(C)(C)C)C1 1964767559 MURUIUCYVXCPKW-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE C#CC1(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CCC1 1985647135 SVLJLWTWSADXQX-CLOONOSVSA-N 444.575 4.860 30 10 IJEE C=C[C@@]1(Oc2ncc(Br)cc2Br)CCN(C(=O)OC(C)(C)C)C1 1992462390 YKEGPYOAFUCJQM-MRXNPFEDSA-N 448.155 4.551 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CC[C@H]2CNC(=O)OC(C)(C)C)cc1 2006112967 LLQQJPJIAWHXNM-HJPURHCSSA-N 431.533 4.634 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)O1 2018523870 XRWQHESHBJHQBV-FKBYEOEOSA-N 432.605 4.588 30 10 IJEE CC#CCCCC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2019509234 KWXGWKYNNFGURN-HSZRJFAPSA-N 428.617 4.881 30 10 IJEE CCCC[C@H](CC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2060632826 GNEHHBPCFICJCT-QZTJIDSGSA-N 438.418 4.545 30 10 IJEE CC[C@@H](c1ccc(OC)c(F)c1)n1nc(C(C)C)c(C#N)c1I 2080102295 RKWVTHXJPSBMRO-AWEZNQCLSA-N 427.261 4.630 30 10 IJEE N#Cc1cnc2c(-c3ccc(C(F)(F)F)c(Br)c3)c(C(F)F)nn2c1O 2081165230 LTYKTWMOEHEHOT-UHFFFAOYSA-N 433.134 4.692 30 10 IJEE C=CCn1ncc(Nc2cccc(NC(=O)OC(C)(C)C)c2C)c(Br)c1=O 2162392896 BQKVRNGAJGEJNE-UHFFFAOYSA-N 435.322 4.591 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1C#N 2174566459 WKDYWSWXGAZFBZ-QIDUDWOJSA-N 434.378 4.588 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)N(c2ccc(Br)cc2C#N)CCN1C(=O)OC(C)(C)C 2174816810 IHKGLKGREUBKRZ-IAQYHMDHSA-N 448.283 4.697 30 10 IJEE Cc1ccc(C#CC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223326687 POIAJBWCTYFCAL-HHHXNRCGSA-N 433.548 4.760 30 10 IJEE CCCN[C@@H](C#Cc1ccc(C)cc1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2231140384 MNADZHOFADIJQZ-IZZNHLLZSA-N 449.639 4.740 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](C#N)c1c(F)ccc(Br)c1F 2231246569 QTUOREFRSOOPMQ-RISCZKNCSA-N 431.277 4.708 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2235726472 FHVBLDIRNPUXGG-BHIYHBOVSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2c(Cl)cccc2C(=O)N(Cc2ccccc2)C2CCC2)OC1(C)C 2248078138 FBQJYRIZROQWIA-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE CC1(C)OB(c2ccccc2C(=O)N(CCC(F)(F)F)Cc2ccccc2)OC1(C)C 2255871254 SSSQNCUOINMUJY-UHFFFAOYSA-N 433.279 4.581 30 10 IJEE CN(CCN(Cc1ccccc1)Cc1c(F)cccc1C#CCCO)Cc1ccccc1 2261055000 XFOZIOXJFNOEJN-UHFFFAOYSA-N 430.567 4.694 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(F)ccc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2268540226 QHBVOPLHHKTLJY-UHFFFAOYSA-N 448.344 4.805 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1F 2268639178 YSFVUQZRFCDJDQ-MRXNPFEDSA-N 446.328 4.623 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1 2268653429 MWLWYWKMMPKIOT-IBGZPJMESA-N 442.365 4.508 30 10 IJEE CO[C@H](CSc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)CC(C)(C)C 2287222686 QUXLKPZZFWVKPQ-AWEZNQCLSA-N 444.244 4.687 30 10 IJEE C=C([C@@H](OCCC(=O)O)c1scc(Br)c1Br)C(F)(F)F 2291850719 LAVHKHBAVIMXRV-SECBINFHSA-N 438.059 4.924 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](N)C#Cc2cccc(Br)c2)C12CCCC2 2296272685 LUCMTBKZXMMEKB-RBUKOAKNSA-N 433.390 4.698 30 10 IJEE CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C#Cc1cccc(Br)c1 2296283913 LSSGYPQAAULOIR-UYAOXDASSA-N 435.406 4.816 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2cccc(F)c2)C1=C(O)C=Cc1ccccc1 2296932916 VUAKDQORFMJGKF-QHCPKHFHSA-N 443.430 4.706 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCOc3ccc(OC)cc3)cc2)SC1=S 2297335412 TWFIRWOFMHDFLR-UHFFFAOYSA-N 427.547 4.540 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccccc3OC)c(OC)c1)C2=O 2314527107 FNWDRWWMLPQZIG-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]1(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317353505 IDWXTKWTSCJQCS-ABSORMQESA-N 430.354 4.505 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1OCc1cccc(Cl)c1 2321884111 UVSKAVSNTRBMHV-SFHVURJKSA-N 444.944 4.542 30 10 IJEE Fc1cccc(Cl)c1COc1ccc(C=Nn2c(S)nnc2[C@H]2CCCO2)cc1 2321935552 ZLZUVPOJBTULHU-GOSISDBHSA-N 432.908 4.672 30 10 IJEE CCOc1ccc(S(=O)(=O)NN=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1 2323378781 VYXMOVCHEBUJIP-UHFFFAOYSA-N 445.368 4.739 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)ccc1OCC(=O)NCc1ccco1 2323579738 RBTIWZCHMWYTHL-UHFFFAOYSA-N 449.503 4.587 30 10 IJEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324115615 DLIPVQMAVBVSJF-UHFFFAOYSA-N 442.471 4.783 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OCC 2324644500 ISGLQRKBJBRBPV-UHFFFAOYSA-N 425.525 4.512 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1C)OC(=Cc1ccc(OC)c(OC)c1)C2=O)C(=O)O 2324778112 DBLXOIUBCJZKQJ-IBGZPJMESA-N 426.465 4.651 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2325589637 ZUGMZOBYOASOCH-UHFFFAOYSA-N 444.871 4.878 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(O)c(OC)c1 2326589272 HNUKZIZDHSSUDK-UHFFFAOYSA-N 432.549 4.925 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2-c2cccs2)c1 2330611662 IDMFWPUJOXMBIQ-UHFFFAOYSA-N 447.589 4.606 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CC1 2330873220 URZPEFWBBCRUHA-UHFFFAOYSA-N 425.437 4.522 30 10 IJEE CCCOc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)OCC(C)C 2330873422 RGKKKHBLEMGFFC-UHFFFAOYSA-N 446.617 4.829 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)N(CC)CC)nnc2C(C)(C)C)cc1 2331358937 GVXIDNFYRSOGAW-UHFFFAOYSA-N 445.633 4.597 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1OC 2331432094 NZOXURJMFKWTJM-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccccc1OC(C)C 2331540059 AHQAUCRABOOINV-UHFFFAOYSA-N 430.574 4.506 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCCc2ccccc2)nnc1C(C)C 2331703124 BDPYPARVKSYNRB-UHFFFAOYSA-N 440.569 4.644 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(Cl)cc1 2332187306 IECMXLPSPDWSNF-UHFFFAOYSA-N 442.704 4.515 30 10 IJEE CC[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511747 GVAQHQSWPUMNRS-DCEDVJGZSA-N 434.433 4.547 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S 2055917 LYYKGVKFBVSRLB-YVLHZVERSA-N 443.462 4.683 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OCC)cc2)cc1 5927253 FQNKFXSWJAIMRZ-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE Cc1cccc(N/C(S)=C(/C(=O)c2cccc(Br)c2)[n+]2cccc(O)c2)c1 11268808 WCVRTSKRALNRIS-UHFFFAOYSA-O 442.358 4.802 30 10 IJEE COc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 20779672 JNDZSOAIQJEMLG-UHFFFAOYSA-N 449.601 4.917 30 10 IJEE Cc1ccc(C)c(N2CCN(/C(=N/c3ccc(C(=O)O)cc3)NCc3ccccc3)CC2)c1 37008954 BRVMYLFRXWCIRO-UHFFFAOYSA-N 442.563 4.601 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)c(OC)c1 41354594 FDMCIQOGIWGSNG-FBHDLOMBSA-N 436.485 4.838 30 10 IJEE C/C(=N/O[C@H](C)C(=O)Nc1ccc(Br)cc1)c1ccc(NC(=O)C2CC2)cc1 97002988 ZMOKZHAAOIFAJJ-VLKICEKPSA-N 444.329 4.565 30 10 IJEE NS(=O)(=O)c1ccc(CC/N=C\c2ccc(-c3ccc(SC(F)F)cc3)o2)cc1 103153629 UGONUCQFJDRXBF-CFRMEGHHSA-N 436.505 4.570 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 169927505 KFFGBKBFOKBNQP-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(O)cc2)cc1 169959433 DSWGPVLTOLMWQF-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1cccc(OCC(C)C)c1 170040199 CDWVRTFKZDQIDH-QHCPKHFHSA-N 437.536 4.563 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C)o2)cc1 170101457 BCUACUXVFAQXBC-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCCC2)c1 170119270 KOZKEKWMEGJFTD-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)cc1 170185630 ZTKUCBISBAGMIV-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)cc1Cl 170200739 YXGOFURDPLLQLO-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1ccc(Cl)cc1 170236078 QOTRJYSEPQIBRZ-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170248956 DWJIAKQQEROGCK-HSZRJFAPSA-N 445.446 4.639 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1C 170259624 OQENQWWCYODFSA-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1cn(C)c2ccccc12 170269661 GJLWFDJHGSTRMD-QHCPKHFHSA-N 432.520 4.874 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccco1)c1ccc2c(c1)OCO2 170287350 BXVWQMOQHHPONJ-HSZRJFAPSA-N 439.423 4.944 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2sccc2C)cc1 170314617 UVEZJESPBQRAMH-HXUWFJFHSA-N 435.501 4.944 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)c1 170431885 YVIAZIFTYHLBBO-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(C)ccc2O)ccc1OC 170441145 MBIUYWZCBDJSAA-NRFANRHFSA-N 439.508 4.623 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCC 406917065 QUASWWLLBIVOQA-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)CC1 446629883 CIJCKFXFFXECNW-LLAFXHEGSA-N 430.552 4.895 30 10 IJEE CC(C)n1c([C@@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2)nc2ccccc21 506495257 OPQWQOBMVQVCQN-CJAUYULYSA-N 438.572 4.585 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1 508873446 NFODBTLYRBGORX-UHFFFAOYSA-N 427.474 4.853 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCCc1ccc(OC)cc1 508946000 PJORTMCNFSVYJF-ZEQRLZLVSA-N 432.568 4.787 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2cccc(OCC(C)C)c2)c1 526826067 KMBYBOUNHINLQM-CFRMEGHHSA-N 438.553 4.582 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cccc(OC)c1 526827155 PVULGGBQYPMUNR-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 559012295 SLSFXTKTOXBAOG-SANMLTNESA-N 430.552 4.502 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 563829263 BGDYBWZEAIBMCT-DSITVLBTSA-N 448.611 4.842 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 583393891 BNKNLCGKARSGGP-UHFFFAOYSA-N 439.560 4.501 30 10 IJEE C[C@H](SCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc2ccccc2[nH]1 602225310 BPMQXOKZPDKFPO-AWEZNQCLSA-N 433.562 4.915 30 10 IJEE C#CCN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCOc2ccc(Br)cc21 735311869 XWQZBHJJEKCFPL-IBGZPJMESA-N 445.744 4.964 30 10 IJEE C#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 758636466 KGVWTRAOGPMKRL-JOCHJYFZSA-N 449.576 4.767 30 10 IJEE Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=NNCCOCC(F)(F)F 766713600 BYFXPWXOFHHPLY-UHFFFAOYSA-N 436.409 4.615 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCCc1ccccc1Cl 785042599 GFJPZUWUEGOENA-UHFFFAOYSA-N 430.835 4.599 30 10 IJEE C#CC[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccc1 788235618 WNOWIULUOMPBMU-UXHICEINSA-N 441.959 4.880 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(CSC3CCCCC3)c2)n1 788606127 WIEMJZMXSHELJG-UHFFFAOYSA-N 440.613 4.763 30 10 IJEE C=CCCN(C)C(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 1154449458 FNZXCPMPCWCQDL-UHFFFAOYSA-N 446.878 4.808 30 10 IJEE COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)C[C@@H](CC#N)c4ccccc4)CC3)c2c1 1178386991 BFUOWIZSSWNJAP-HXUWFJFHSA-N 429.520 4.748 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cc1OC 1183823543 UGTZDYIAQWCGKG-SJLPKXTDSA-N 438.996 4.896 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 1188225603 LETHSXIOAAYDGP-GFCCVEGCSA-N 445.997 4.905 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 1206193950 BKMLWXIGCQGUKQ-UHFFFAOYSA-N 434.309 4.507 30 10 IJEE C#CCC1(NC(=O)Nc2cccc(NC(=O)COc3ccccc3OC)c2)CCCCC1 1214789801 FELCVZUAGBAJFT-UHFFFAOYSA-N 435.524 4.560 30 10 IJEE CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](Cc2ccccc2)C1 1214972273 GOBWTELRGRXFJQ-QHCPKHFHSA-N 426.520 4.741 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)C(C)(C)C 1220222021 YRVLGCSKXHDYMM-GOSISDBHSA-N 428.330 4.871 30 10 IJEE C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1(c2ccccc2)CCCC1 1224112407 FAHMXUMHTAPRAJ-YUVSOPLDSA-N 432.568 4.843 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Nc2cccc(Br)c2)CC1)c1ccc(F)cc1 1230477898 BQUWFNLIJFVVNW-FQEVSTJZSA-N 430.321 4.549 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccc(Cl)cc1 1252449972 XCKNREBPHIDAFT-MOPGFXCFSA-N 433.733 4.560 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)C1 1252869777 NIKKKLADVZCRAB-STZQEDGTSA-N 445.579 4.916 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1252972234 YUAOVIAJRLSTMC-GQIGUUNPSA-N 433.515 4.753 30 10 IJEE C=CC[C@@]1(C(=O)OCc2cc(F)cc(Br)c2)CCCN1C(=O)OC(C)(C)C 1265727237 AYJWRXKENKMYMA-FQEVSTJZSA-N 442.325 4.977 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1266808536 BBVCUGXRWGXELH-QSYFUGGGSA-N 429.192 4.725 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC(c2ccccc2)C1 1286272357 BBGRILDBMVQGAP-HJOIGYKYSA-N 438.373 4.687 30 10 IJEE C#CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286316956 NGNZDZJADIEOMA-WBVHZDCISA-N 428.989 4.824 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1scnc1C 1286317687 QBSOOSMNAPOUMR-QGZVFWFLSA-N 427.549 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccsc1 1286549703 GMYXIAAVHWUQJI-MJGOQNOKSA-N 429.977 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1C(C)C 1286566491 NCFSGYBKTXDKRR-AAIMPIBUSA-N 428.552 4.602 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1286607894 LKMUANDWJAJVNP-HXUWFJFHSA-N 432.996 4.691 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1286628606 JMKAUZXEXPHBMI-RTWAWAEBSA-N 430.980 4.500 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1286640174 GYSJTTTVOKQANK-UTKZUKDTSA-N 430.980 4.825 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](N2CCCCC2)C1 1286695829 KINSSDNFMMMBDL-IBGZPJMESA-N 429.996 4.638 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](C)(CC)C1 1286699743 VWLJARPXUKXHKU-DEOSSOPVSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@](F)(C#N)C1 1286703201 FBJPLTLPSBSGOV-QFIPXVFZSA-N 431.943 4.660 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCC(C)=C(Br)C1 1286703568 OLIXTFCLGUCPHJ-UHFFFAOYSA-N 431.378 4.745 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1cccc(C(F)(F)F)n1 1286730361 DXJRWOMHHPAFSE-UHFFFAOYSA-N 431.462 4.504 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ncccc1N(C)C)C1CC1 1286732506 UUHIDQTVMZLRFM-HXUWFJFHSA-N 446.599 4.699 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1286835626 WPJXWQLFMSJLPE-NRFANRHFSA-N 431.993 4.560 30 10 IJEE C=CCC1(C(=O)N2CCN(Cc3c(C(=O)OCC)sc4ccccc34)CC2)CCCC1 1294199255 BGVSUKBXGNZYGQ-UHFFFAOYSA-N 440.609 4.859 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C2CC2)cs1 1300275606 XAZKAMCKNWLNJV-LSDHHAIUSA-N 441.988 4.912 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCSC1 1300602032 NOUHLHFGNMBQAS-MSOLQXFVSA-N 433.021 4.901 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1300633341 GQEAXOYUIZACPL-QHCPKHFHSA-N 433.625 4.535 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@@H](C)CC 1301060369 FLQDCSBDGGWYGQ-RDJZCZTQSA-N 426.005 4.975 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@H](C)C2)CC1 1301065594 HJAXBFDZYCCKRI-PMACEKPBSA-N 444.023 4.960 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCCc2cc(OC)ccc2OC)CC1 1301126691 CYFDNISBYLBZAF-UHFFFAOYSA-N 426.605 4.919 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1301162937 FJXOZVQAMXFIOC-QUCCMNQESA-N 435.538 4.834 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301202573 LRDJEZCFAGKVAF-OALUTQOASA-N 428.552 4.655 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CCCCC1)C1CC1 1301333874 CPNFIOIFBLSCCO-KDURUIRLSA-N 429.609 4.784 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 1303046260 KNJMJEOUEMLNKF-YGAHKIJPSA-N 427.429 4.552 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 1306434405 DYQQZBWGQXKCAB-XMMPIXPASA-N 430.504 4.728 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)n2)c1 1307100592 CHCIMVLIZDVHQE-MRXNPFEDSA-N 425.414 4.850 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 1310614970 HLJWWMRVBJQPFX-UHFFFAOYSA-N 434.540 4.994 30 10 IJEE CN1Cc2c(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cccc2C1=O 1310867435 DBRZWIBGEYIUSE-UHFFFAOYSA-N 428.467 4.517 30 10 IJEE COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2cc(C#N)c(F)cc2F)cc1OC 1311137300 HFGLKBZICPNWON-KRWDZBQOSA-N 429.467 4.873 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C1CCOCC1 1312112780 KQHLJLHUELUTBA-OAQYLSRUSA-N 432.442 4.725 30 10 IJEE COC1(Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)CCC(C)CC1 1315280730 CJNABUGVNPEUKK-UHFFFAOYSA-N 435.616 4.789 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(-c3ccc(Cl)c(Cl)c3)c3ccccc3c2=O)C1 1323714461 CSYKEZGKRCDNQB-INIZCTEOSA-N 430.335 4.605 30 10 IJEE C=CCc1ccc(OCC(=O)NC2(c3ccc(Br)cc3)CCC2)c(OC)c1 1351942250 LHOXZOWPLXBBPJ-UHFFFAOYSA-N 430.342 4.761 30 10 IJEE C#CCSCC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1356254732 QJHIVKAKTBOPBS-SFHVURJKSA-N 439.433 4.637 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Sc3ccccc3)CC2)nc1 1357209484 HTZKQWVAPUSRON-UHFFFAOYSA-N 434.952 4.720 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 1357310750 XTAVKBKZTQPDGN-CYBMUJFWSA-N 427.353 4.542 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)CCCN1C(=O)OC(C)(C)C 1357426648 ZMUUYYBVQQDUGR-RUZDIDTESA-N 435.524 4.914 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1358922581 KBFBASHGNWERAR-GOSISDBHSA-N 433.419 4.699 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(N(CC)CC)CC1 1358922794 RDKLFPLCKYVOHX-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#CCCCn1c(N(C)[C@@H](C)c2cc3ccccc3o2)nnc1[C@@]1(OC(C)C)CCOC1 1358935976 YVUCTGVAIGTXFG-UQBPGWFLSA-N 436.556 4.676 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N1CCC(C)CC1 1359004271 PYSUBGDNOLKPNJ-QGZVFWFLSA-N 434.415 4.832 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCS1 1359015903 IXBIAXFUTBUBPT-IBGZPJMESA-N 441.963 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCC(F)(F)F 1359102270 ZISZIFACBXJNQH-KKSFZXQISA-N 447.505 4.720 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCc1nnc2n1CCCCC2 1359108344 KKXYHDUGIACEAS-UHFFFAOYSA-N 439.995 4.562 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@H](C)C1 1359154001 AFESCDIXIJCGEI-MRXNPFEDSA-N 441.428 4.946 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C 1359264095 UMTGQQXBMUBIEW-MSOLQXFVSA-N 432.659 4.958 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC=CO2)C1 1360783085 CEDMITWQHUNOTO-LIRRHRJNSA-N 448.390 4.592 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 1435137074 PGGQDCGIUOYPQC-ZJSXRUAMSA-N 430.529 4.801 30 10 IJEE C#CCN(C(=O)CSCc1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1435175149 JNTIFPNFEPKYCV-HXUWFJFHSA-N 444.394 4.976 30 10 IJEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1cc2ccc(Br)cc2s1 1436410823 BZABCFYKWITPQT-UHFFFAOYSA-N 438.310 4.677 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@@H](C)C2)cc1 1443771334 RYKOJVRXYZWZJI-JLGINSKQSA-N 440.609 4.757 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 1459586094 XNLLYBFTMZJQKH-DEOSSOPVSA-N 449.982 4.521 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1459628158 IWSXYQHKVICGDB-WUEDSLEZSA-N 438.999 4.653 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)n1 1459760080 USPACFNUDZXQKU-UHFFFAOYSA-N 446.601 4.960 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccc(Cl)cc1F 1460791365 UTRJDGLCBOIVMA-NHCUHLMSSA-N 430.907 4.611 30 10 IJEE C#CCN(Cc1sc(N(C)C)nc1Cl)[C@H]1CCOc2ccc(Br)cc21 1461985538 DQLZPDJDCRNNOW-AWEZNQCLSA-N 440.794 4.584 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 1467040476 CJNAJVBAHUARFL-UHFFFAOYSA-N 433.480 4.708 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 1467929215 OIJLKFGAPUNAAD-UHFFFAOYSA-N 426.944 4.980 30 10 IJEE C=CCCCSc1nc(C[C@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1472978186 HCSYXTUYKRQUCX-YESZJQIVSA-N 428.602 4.585 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(Cc2ncc(C(=O)OC)s2)CC1)c1ccccc1 1479191588 ZNWCSYMAFQFRHY-FQEVSTJZSA-N 441.597 4.991 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)cc(OC)c1 1507680442 GTWDHPOUFOEPAO-MRXNPFEDSA-N 438.572 4.787 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507783582 GFVPFSHBCIXRAS-UHFFFAOYSA-N 436.716 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=CCC1 1507806158 OPXMPFGYWFPVMV-VIZSFHNOSA-N 438.572 4.564 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCCCCC1 1507822262 SAIINMMPXISKON-UHFFFAOYSA-N 426.605 4.962 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1507833365 NMABVXMLCQXVOY-UHFFFAOYSA-N 436.581 4.637 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1507851731 BBKRFWBUEJBAOB-LJQANCHMSA-N 437.588 4.610 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1507884860 YZPFBIHDWKIADD-SFHVURJKSA-N 438.906 4.979 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC2(C)C)CC1 1507909472 GTYNYKCRABOCTG-MOPGFXCFSA-N 429.609 4.799 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCn1cccn1)c1ccccc1 1507923730 BSOUKJQYCQPMCE-OAQYLSRUSA-N 447.974 4.686 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1ccc(OCC(F)(F)F)nc1 1508008967 SPIZHJONPIOEKD-UHFFFAOYSA-N 449.452 4.557 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1508152980 VPBNGPYTNOBJSM-QGZVFWFLSA-N 448.608 4.870 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccnc(C(F)(F)F)c2)cc1 1513626318 CHFWUJXIOKJDCN-OAHLLOKOSA-N 428.462 4.708 30 10 IJEE N#CC1CCN(c2nnc(-c3ccccc3F)n2Cc2ccsc2Br)CC1 1521114422 CHHLGMFBGINDPG-UHFFFAOYSA-N 446.349 4.696 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)c1ccc(Br)cc1 1525053794 FRJFVYHCBZSXAM-HXUWFJFHSA-N 445.320 4.596 30 10 IJEE C#C[C@@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)c1ccc(Br)cc1 1525053822 GDAKVCWUBLFDPK-QGZVFWFLSA-N 429.314 4.740 30 10 IJEE C#C[C@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(Cl)cc1F 1525070413 RVYFFPZPMRVUMM-HNNXBMFYSA-N 448.062 4.841 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 1530533726 KRIJRFCNFGNOCI-CQSZACIVSA-N 439.762 4.805 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 1536382178 FWTFCRQYDDIZDO-CPJSRVTESA-N 425.532 4.909 30 10 IJEE C=CCC(C)(C)C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1536574929 HAICGYQCNFWDMD-UHFFFAOYSA-N 430.545 4.784 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)n1)c1ccccc1 1537033052 XZEVJTQECMYYBB-LJQANCHMSA-N 425.330 4.857 30 10 IJEE C#CCCCCn1c(N(C)Cc2ccc(F)c(Cl)c2)nnc1[C@@]1(OC(C)C)CCOC1 1539087685 XLWSXLYDVLQLRN-HSZRJFAPSA-N 448.970 4.551 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCOC2(CCCCC2)C1 1539139841 ISSFZHCQQZFWDS-UHFFFAOYSA-N 440.613 4.532 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Br)cc3nc(C)oc23)c(OC)c1 1539189282 GVYMMBODHVDDEN-UHFFFAOYSA-N 431.286 4.653 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC1(c2ccccn2)CCC1 1539392913 WZFBXADAWNSIOQ-UHFFFAOYSA-N 431.559 4.772 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1539506971 OZRSTWZSQTVDOX-LJQANCHMSA-N 442.629 4.591 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)[C@H](C)C1 1539607226 APNSKLDVPWOFGW-DOTOQJQBSA-N 433.394 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CCO[C@H]1C1CC1 1539659137 KSMXHXHJJZWOFK-DHLKQENFSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CC1(COC)CCC1 1539660026 PZMLGFOMDOFICG-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1539875795 WRFPWCBHTGULSL-ICSRJNTNSA-N 440.588 4.570 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2[C@H](C1)C2(C)C)c1ccccc1 1539932277 ZYOUKEXJGSHAQQ-HJNYFJLDSA-N 435.616 4.649 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1N(C)CCCC1(C)C 1540047035 DISLUIVETRHUSL-IFMALSPDSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1Cc1csc(CC)n1 1540137267 QLUVVVQNIAYXPT-UHFFFAOYSA-N 448.571 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H]1N(C)CCCC1(C)C 1540147550 NPLAYPINNCEFGT-UXHICEINSA-N 429.634 4.504 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(C)c(OC)c1 1540147594 UBPDCKLXADPASK-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC[C@H]1C 1540194697 YBVZCTUTNKYGLF-CVEARBPZSA-N 439.387 4.563 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F)C(C)C 1542931966 BZBPKYXJKKPHEQ-FQEVSTJZSA-N 434.506 4.628 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)ccn2)nc2scc(-c3ccccc3)c2c1=O 1559330601 HUFYTWRAVOINCF-UHFFFAOYSA-N 433.558 4.989 30 10 IJEE C=CCN(Cc1ccccc1F)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1559495553 JXGMHBADLROZIA-HNNXBMFYSA-N 440.500 4.873 30 10 IJEE C#Cc1ccc(NC(=O)CCN2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 1559870951 LPNBPCZVBCNNJN-NRFANRHFSA-N 430.470 4.867 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2ccc(OCCn3ccnc3)c(Cl)c2)cc1 1560338998 VZFNELFMYRWWQR-UHFFFAOYSA-N 425.920 4.535 30 10 IJEE C=CCC[C@@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1560470699 FHJZHELHVGDGEJ-FQEVSTJZSA-N 426.358 4.719 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C 1563453394 GKWCHUQHPCUXSH-AUUYWEPGSA-N 438.403 4.929 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C)c1ccccc1 1565277642 UUWUNQBNOPYSSV-HYBUGGRVSA-N 435.568 4.791 30 10 IJEE CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1583294477 GGKMCPUOYWXXBQ-UHFFFAOYSA-N 446.898 4.624 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2cccc(-n3ccccc3=O)c2)s1 1583568218 OGCXGECWLHNXLR-UHFFFAOYSA-N 432.954 4.595 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC 1586526172 ZGRSCKRTYHBSHB-RTBURBONSA-N 436.980 4.859 30 10 IJEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1ccccc1-c1ccccc1C#N 1586711530 GKLPOZOXLKFVEB-HTAPYJJXSA-N 449.551 4.716 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1587894596 XPFGWQKAOWKFGA-LJQANCHMSA-N 445.032 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1(N(C)C)CCCC1 1589177361 IWUOYRSKBFGVGM-JOCHJYFZSA-N 429.971 4.604 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC[C@@H]1C 1589495028 OYRLJNYLDAWRGT-OLMMMNRUSA-N 448.409 4.642 30 10 IJEE C=C(C)COCCn1c(C2CC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1593735423 GCWXWAARHWSBAR-SFHVURJKSA-N 437.357 4.658 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1 1595598902 IQAXPMGGANEBSJ-WBVHZDCISA-N 440.968 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCC(C)CC2)C1 1595705889 GFQDSXUYVCQSLT-PMACEKPBSA-N 444.023 4.500 30 10 IJEE C#C[C@H](NC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1)c1ccc(Cl)cc1 1596953952 JYVXFRQIMFTNDB-INIZCTEOSA-N 433.726 4.894 30 10 IJEE CC(C)SCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@](C)(C#N)C1 1611125424 AKUMXBBPIXDXBL-QHCPKHFHSA-N 435.601 4.607 30 10 IJEE CCCc1nc(C)c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)o1 1614430059 CXSZMPDFFLFEED-WBVHZDCISA-N 440.523 4.593 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)C1 1614812688 FAHQPFGRQGKHEJ-QGZVFWFLSA-N 447.414 4.724 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1ccccc1 1618590091 UMRUFDAUXYEPPK-LJAQVGFWSA-N 426.929 4.651 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1618925194 BPOKDXOVMKWPNZ-SBUREZEXSA-N 436.585 4.596 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N3C[C@H](O)C[C@@H]3c3ccccc3)c2)cc1 1622896392 DOAYFMVMZQXDAZ-ILBGXUMGSA-N 427.504 4.671 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 1624131233 DWINTJRUOMXNPV-UHFFFAOYSA-N 426.992 4.792 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 1625190602 ZIPSUHWTUNSCDB-RTWAWAEBSA-N 426.944 4.852 30 10 IJEE C#CCN1CCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1631779033 XFRKWDQGDRWGJT-XXBNENTESA-N 440.374 4.820 30 10 IJEE C#C[C@@H](NC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1)c1ccc(Br)cc1 1636541808 PFRQSXFQELBEDF-OXQOHEQNSA-N 449.707 4.615 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C1CC1)[C@@H](C)C#N 1640027931 ZRFMJGAZRIDTCK-BVZFJXPGSA-N 443.547 4.763 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC(c3nccc(-c4ccccc4OC)n3)CC2)cc1 1641588712 QUFRZGSBVRSAFE-UHFFFAOYSA-N 441.531 4.574 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1641836832 LNNZFFLJSSPAAV-DGDHUYAWSA-N 449.532 4.680 30 10 IJEE C[C@H]1[C@H](C)CCC[C@H]1N(CC(=O)N(CCC#N)CCC#N)Cc1c(F)cccc1Cl 1653673801 FSOQDDMGMZCKHJ-KGVIQGDOSA-N 432.971 4.762 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(OC)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1655969848 JDDHMUKCUDSVOT-AWEZNQCLSA-N 440.590 4.752 30 10 IJEE CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(C#N)c(F)c1 1660813467 AEXIZVPVEMSSOU-ZDUSSCGKSA-N 425.323 4.622 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1660906588 VUHRMWBMNFTMSN-OAQYLSRUSA-N 426.442 4.573 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1 1668389798 UFYZHIAYULMOKT-UHFFFAOYSA-N 447.457 4.720 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(CSCCC(=O)OC)c1)c1ccc(Cl)cc1F 1668422955 JFTXTNOZVDDWAV-IBGZPJMESA-N 434.920 4.771 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)c1ccc(Cl)cc1F 1669152160 CSXNMUZLHFHMQD-OAQYLSRUSA-N 447.890 4.850 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 1673275704 FVKJCDMIZIGGAT-LUGPXAIHSA-N 434.540 4.929 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 1673577728 KIAWWCGBHBQXQB-QUCCMNQESA-N 426.866 4.577 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2)c1ccc(F)c(F)c1 1681557192 QWQBVNDAYUKLEG-REGYPHIPSA-N 435.515 4.669 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CCCC1 1682311380 DLEPVFBGMLCRPJ-PKTZIBPZSA-N 439.600 4.859 30 10 IJEE C#C[C@@H](NC(=O)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 1682348843 MEJUWUWPWRAEFU-PZJWPPBQSA-N 443.563 4.617 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C1CC1)C1(CO)CCOCC1)c1ccc(C(F)(F)F)cc1 1685819305 AGDITJAWRIWLSI-VQTJNVASSA-N 440.506 4.580 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC2(CC2)C1 1689916274 FIXIOEKVEKPFGI-UHFFFAOYSA-N 429.362 4.510 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OC)c1ccc(F)cc1 1689951018 JSDFABKVJZTTNF-OXJNMPFZSA-N 438.572 4.728 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](OC)c1ccc(F)cc1 1689951020 JSDFABKVJZTTNF-UZLBHIALSA-N 438.572 4.728 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(F)(F)Br 1690059907 ZVRIXDHJSHNERK-GFCCVEGCSA-N 447.711 4.519 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1690062225 HRQXXFYVWNZBKQ-KRWDZBQOSA-N 445.995 4.561 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1690227742 GJNOHMWOUGAHJN-DZGCQCFKSA-N 441.320 4.556 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1nnc(C)s1 1690256649 RBNWXPXMWNQVSO-HNNXBMFYSA-N 447.008 4.877 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1ccccc1Cl 1690259562 NRVWVYAJNPFWGC-QFIPXVFZSA-N 446.382 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn2ccsc2n1 1690266906 NBGLFDBHAJVAKO-UHFFFAOYSA-N 426.977 4.682 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](c2ccco2)C1 1690306511 WEBGQRWCSDBCFW-MRXNPFEDSA-N 430.911 4.917 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1690337797 ZYSHPTPPVLXTLN-CJNGLKHVSA-N 437.769 4.848 30 10 IJEE C=C(Cl)Cn1c(N2CCC3(CCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690358792 KWVZHZPGQYNXOA-CALCHBBNSA-N 436.000 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1690404382 BLSRZPTVAGEQPG-UHFFFAOYSA-N 442.947 4.968 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C1 1690430291 HRHAZQIZCJVNSD-OALUTQOASA-N 431.625 4.841 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@H](C)c1nccs1)c1ccccc1 1690444195 BYPTWBSWSYXLTM-ICSRJNTNSA-N 445.596 4.791 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCc2oncc2C1 1690454213 YMTVAMLOGQGSRZ-UHFFFAOYSA-N 428.334 4.615 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690491770 IHGSBNMKCYKJKG-NRFANRHFSA-N 430.980 4.872 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1Cc1cccc(C(F)(F)F)n1 1690597327 QOHVPSWTQLAGFL-UHFFFAOYSA-N 449.427 4.788 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1690624344 OISZJNPDMPILDC-XYWHTSSQSA-N 437.975 4.675 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(C(F)(F)F)CC1 1690682447 OVYXAJVKBFPWHF-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)CCCO2)cc1 1692373829 HTUGJZRPGYHTEH-RUZDIDTESA-N 437.588 4.679 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1)N1CCCC1 1694385747 BXUSNECFVIYBOP-NRFANRHFSA-N 434.613 4.698 30 10 IJEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1696700853 AQAZLFFLFLFXTD-GMAHTHKFSA-N 444.583 4.689 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705477143 JQBWGTLWFNBLAG-CEWLAPEOSA-N 439.604 4.581 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1nc(C)cs1 1705483349 SPBFERMRKYNCDS-UKRRQHHQSA-N 444.402 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1705698265 ROPCSJQMALYYEY-ICSRJNTNSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@H](C)C1 1705709941 UEHCGWPEKYHUOC-ZQAYVECASA-N 442.629 4.652 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCSC2(CCCCC2)C1 1705738036 ISOSVVKPAAOIKL-UHFFFAOYSA-N 440.657 4.912 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705746666 XHZVCANNVLSLHQ-HSZRJFAPSA-N 440.979 4.729 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCN(CCC)C2)CC1 1705765781 ADOVLACURUQASO-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1705788079 OOXNYGBJZCZATR-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705793713 HKALJORWYBFKIV-UHFFFAOYSA-N 440.617 4.782 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1705804004 MGFCFRDXPMMKHP-HSZRJFAPSA-N 435.547 4.786 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1C(F)(F)F 1705821825 JQFKNZOPSHZOHN-UHFFFAOYSA-N 432.494 4.761 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1705834640 PDUVUFNFWLPBEY-DWLFOUALSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)N1CCC(C)CC1 1705866175 JHACPOQGHSFYRU-RBBKRZOGSA-N 443.661 4.894 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C2CCCCC2)CC1 1705944711 PJCILVOSTCANRA-UHFFFAOYSA-N 425.646 4.627 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(F)(F)CC2)n1 1707718300 HUUYKPHQMHEYHQ-CQSZACIVSA-N 428.512 4.621 30 10 IJEE CCc1cnc(CCn2c(-c3ccccc3Cl)nnc2N(CCC#N)CC2CC2)s1 1708958303 GUDJOLWPCGGETL-UHFFFAOYSA-N 441.004 4.990 30 10 IJEE CCO[C@H](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C#N)CC1)C(C)C 1710407654 GORMVCJJWNCTSK-JOCHJYFZSA-N 448.571 4.791 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1722312655 HSXLZYXLSNGHHA-VWNXMTODSA-N 431.584 4.691 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722319453 LTFBHWKSMIBRSE-NRFANRHFSA-N 442.535 4.590 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc2ccccc2[nH]1 1722325151 FKWOJIVOZYTWOC-UHFFFAOYSA-N 437.345 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H]1N(C)CCCC1(C)C 1722474631 PEXLXAWSQPURHM-YIXXDRMTSA-N 433.644 4.566 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1722493338 HECNESQEDUWHCU-OAHLLOKOSA-N 445.283 4.693 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)CC1COC(C)(C)OC1 1722521124 AKVHCHKZHOKTCG-UHFFFAOYSA-N 442.604 4.781 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)C1CCCCC1 1722546580 QLNWHYIMMIRMEL-UHFFFAOYSA-N 426.790 4.958 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCCCC2)CC1 1722578761 AEJMKXDRROPRKM-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCC2)CC1 1722598061 XKAQPTLNWKKXBB-UHFFFAOYSA-N 431.531 4.577 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1)c1ccccc1 1722598103 ZOXCHPNRJYVCEX-GOTSBHOMSA-N 436.600 4.760 30 10 IJEE C=CCCCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1722611768 WSCZRBJIYVCPFD-UHFFFAOYSA-N 447.549 4.789 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](c1ccco1)N(C)C 1722634720 QKMZFYPJAOIMSH-QFBILLFUSA-N 429.952 4.590 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(F)c1F)C1CC1 1722645395 LFIMYLDKIRZLJX-UHFFFAOYSA-N 448.315 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)c1ncc(C)s1 1740658418 JGMJUESMNMIJOE-HXUWFJFHSA-N 447.608 4.505 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCc1nc2c(s1)CCCC2 1740674816 UNMGUCZNVQVEMK-UHFFFAOYSA-N 449.624 4.511 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1nc(C)cs1 1740678094 ZYUCDOHKBPNNMO-MRXNPFEDSA-N 434.544 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCOC(C)(C)C 1740726490 BEDAQRDTYZTQAY-JOCHJYFZSA-N 445.405 4.823 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(C)o1 1740761531 XLHBCVSGVOILPY-GAJHUEQPSA-N 442.510 4.666 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](CC)O[C@H](C)C1 1740789188 ICZFQOFWEKKFFR-WBVHZDCISA-N 439.387 4.848 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740815133 OVKVHODXRVJNGQ-CZUORRHYSA-N 428.886 4.807 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC(Oc2ncccc2F)CC1 1740872665 RFAPIPLKQCLJKU-UHFFFAOYSA-N 437.519 4.502 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1Cc2ccccc2O[C@H](C)C1)C(C)C 1740927807 XNBAONDGBVFZHS-NFBKMPQASA-N 435.616 4.642 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1740999995 RIKSEKSZNAJITK-QGZVFWFLSA-N 441.988 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCc1ccccc1 1749056691 PLKYTIIOXWPFBZ-JOCHJYFZSA-N 438.373 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC[C@@H]1C 1749148204 ZLSVQAPNBJQGOB-ZWKOTPCHSA-N 428.577 4.810 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccoc1C 1749183195 QNLNCGBUMIWGAX-UHFFFAOYSA-N 431.334 4.830 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1749203955 NJRRYPDOXVJREE-WOJBJXKFSA-N 430.980 4.871 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(F)F)C1 1749219323 DRTVVVVQSUQKKD-GOSISDBHSA-N 427.499 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1749255595 DCVSWWOLEZIAEN-SJORKVTESA-N 446.979 4.740 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)c2nccs2)CC1 1749288110 MHNYFWXNXXIXSA-OAHLLOKOSA-N 431.512 4.963 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](CC)C1 1749445676 VOYZKZNNACPKGK-QHCPKHFHSA-N 449.599 4.561 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccccc2F)C1 1760133638 LCIDAPXUFLXDIA-FQEVSTJZSA-N 439.922 4.514 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1760142223 VXCXKNBFUDVVAO-XZOQPEGZSA-N 436.600 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCOC1CCCCC1 1760213004 LZEZGJZOOPKCAQ-UHFFFAOYSA-N 430.552 4.894 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1760213737 NXEDQFRMNDUNLV-SFTDATJTSA-N 432.612 4.909 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCN(C(C)C)C(C)C 1760230932 PVLYPIBJYBVHSV-UHFFFAOYSA-N 446.437 4.676 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1760421704 XUTQSUAIYNFSFI-ROUUACIJSA-N 429.996 4.700 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760434529 DRRMIWOQLYUWTC-KRWDZBQOSA-N 448.398 4.809 30 10 IJEE C=CCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1760435978 CTCIIGGSQBYYMS-GOSISDBHSA-N 447.356 4.554 30 10 IJEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1760437573 IAFBJUKJECIBMF-UHFFFAOYSA-N 447.461 4.627 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1760442844 KFUPDHOXYPSJPQ-LJQANCHMSA-N 431.378 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCCOC(C)C 1760457418 QYQRURFEHNZHMH-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC=C 1760486114 DBWVWWNXHXHVSL-SFHVURJKSA-N 443.617 4.833 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)=C(Br)C1 1760507210 OVQKHXDDSXHKLN-UHFFFAOYSA-N 425.277 4.612 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CCSCC 1760510515 AZZZIINFVZQXOV-QZTJIDSGSA-N 437.654 4.547 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCCC[C@H]2C)C1 1760540237 DNVBMJJXQFGYRI-RTWAWAEBSA-N 441.595 4.520 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1762705999 AHAIOLSKSIEABA-DFIYOIEZSA-N 426.653 4.822 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)s1 1764602330 BINASTWMZSBKDL-URLQWDBASA-N 436.585 4.834 30 10 IJEE CCOCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1767728855 DLXADVUFFLQPTB-QGZVFWFLSA-N 445.995 4.874 30 10 IJEE COCC(C)(C)CCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1770696574 CBCAPTJHXZTHBA-DEOSSOPVSA-N 427.568 4.591 30 10 IJEE CC(C)N(C(=O)CSc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)c1ccccc1 1860466094 FZFGDNJWEVCZQC-UHFFFAOYSA-N 438.940 4.908 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861210095 HBBIODBDOHLMKF-VWNXMTODSA-N 429.649 4.660 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 1862387296 HGPFJYPAEKIOFJ-DEOSSOPVSA-N 443.547 4.894 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1 1862418648 KVYCFWCJVIMYHE-NRFANRHFSA-N 429.463 4.988 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1862442259 CVLXHWQCNMMEDL-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)c(O)c2)c1 1862503137 RBHFLRDROCOEIZ-QHCPKHFHSA-N 447.462 4.632 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc2cc[nH]c2c1 1862545945 MFOMICBUSHHKKE-XMMPIXPASA-N 444.531 4.662 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(C)cc2)c1 1862591575 JQMMWBBLPNNHCV-XMMPIXPASA-N 443.499 4.530 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 1862674936 XYOORABCDBYXIP-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862676917 UPBBVOZDQOUNIM-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(OC)cc2)cc1 1862689310 NISZZKQMHVGNMX-JOCHJYFZSA-N 449.528 4.586 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863436330 DAILZUOALKJDQJ-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(CCc2cnc[nH]2)C1=O 1863805614 RMWYTEBBDJDWJE-UHFFFAOYSA-N 428.602 4.524 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870111168 BNNNTIXVWISWLW-KGLIPLIRSA-N 446.725 4.900 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CN(C)C 1870760692 OOQJEQDSKBOSBN-UHFFFAOYSA-N 441.616 4.905 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)N[C@H](C)c3ccccc3)c2C)C1=O 1871424257 CLYLKYRLFBBKIU-BEXDPUPVSA-N 443.499 4.876 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)c1 1871441346 AGQAHPUFBXEXAO-ZISNKBHRSA-N 427.456 4.885 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871459112 QREIWDYOQLZBHR-MSXFZWOLSA-N 443.455 4.611 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(C)ccc3C)ccc2C1=O 1871460490 PIUYZRQFKYFQFK-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872557059 VYDFMMHFGTTXOT-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE Cc1nc2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2nc1C 1872763726 SNQCABWURMIONA-KRWDZBQOSA-N 429.461 4.768 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2c(OC)cccc2OC)n1 1872788851 RUPKHRLBGJCJFR-CQSZACIVSA-N 428.897 4.979 30 10 IJEE Cc1sc([C@@H](C#N)C(=O)CN2CCC(C)CC2)nc1-c1ccc(Br)cc1 1872799283 GGMDESGZSQMDDV-KRWDZBQOSA-N 432.387 4.789 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2cc(F)cc(F)c2)C1=O 1873109499 RMTJYZPWNPECFE-UHFFFAOYSA-N 436.543 4.810 30 10 IJEE COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2cccc(C#N)c2)cc1 1873866758 LUDNTLCYZGQEGH-RUZDIDTESA-N 440.503 4.552 30 10 IJEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874349236 AXSMSVBIGNZLSR-NLRVBDNBSA-N 444.560 4.800 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc[nH]1 1874394545 PCHPWGZSFOWYLJ-JOBSNELWSA-N 448.527 4.510 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2cccs2)c1 1874416004 SMNSNGXZYCWWMW-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(F)cc1)Nc1ccccc1 1874425702 VXVPXMLXSAFTFR-MFKUBSTISA-N 431.496 4.697 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)cc1 1874512256 OKSPLBWENBPVBT-LPYMAVHISA-N 425.514 4.883 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CC2)cc(Cl)c1O 1874519678 GPLFLKGMGZQQPH-AUEPDCJTSA-N 432.908 4.837 30 10 IJEE N#Cc1cncc(C2=CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)c1 1891727426 RSFWYHCAXURGRT-UHFFFAOYSA-N 435.936 4.752 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1scc(Br)c1Br 1922051869 MQCBIGMJGISRCT-HNNXBMFYSA-N 446.160 4.649 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)[C@H]2C1 1944417244 BWXSUQBDQZBFKE-WVMBUTMQSA-N 427.545 4.967 30 10 IJEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 1945793757 DKXYSYCATVHVGK-SJLPKXTDSA-N 433.549 4.880 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(N(C)C(=O)OC(C)(C)C)CC2)c1 2000205773 OLQOYJSFMUTWSY-GOSISDBHSA-N 431.533 4.728 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2CCCC[C@H]21 2009368871 JYAHUPIYJQEYLV-MRUHUIDDSA-N 434.541 4.606 30 10 IJEE CCN[C@@H](CC#CC1CCCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2032503282 QCXXLUAXXQOYTI-DQEYMECFSA-N 441.660 4.964 30 10 IJEE Cc1cc(N)c(C#N)cc1Nc1ccc(Br)cc1I 2231441745 MUSQFYYAYVSDNO-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(C)(F)F 2235724851 WDPGFKNWLDEOFL-DLBZAZTESA-N 445.348 4.717 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C 2235736575 ZGORRQWZSWISSY-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](O)(C#Cc2ccccc2Br)CC12CCCC2 2235746927 ZZFBDDQFWLYAPK-QFIPXVFZSA-N 434.374 4.875 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1 2249580378 VVOAJSOFXJOGJK-PFWHTEFJSA-N 427.545 4.886 30 10 IJEE CC1(C)OB(c2ccccc2NC(=O)N(Cc2ccccc2)CC(F)(F)F)OC1(C)C 2255922077 XXRORVMYBDZMJO-UHFFFAOYSA-N 434.267 4.582 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2ccc(NC(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)cc21 2267096911 LVDSSVTVTNWBCM-MSOLQXFVSA-N 442.365 4.795 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1 2267174837 HJSJRJRBXACCFJ-GOSISDBHSA-N 437.364 4.874 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)n1 2267504448 SBTUORPXFUOKGW-IBGZPJMESA-N 436.405 4.766 30 10 IJEE C=CCC1(COc2cc(Br)nc(C)n2)CCN(C(=O)OC(C)(C)C)CC1 2272076522 LCSKYXLVWLNOJM-UHFFFAOYSA-N 426.355 4.520 30 10 IJEE O=C(C#Cc1cccnc1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2295697355 RCEUUQLMLJNTCQ-GDLZYMKVSA-N 449.506 4.894 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1Cl 2296088790 PWWSPIRJHVYJMB-JOCHJYFZSA-N 448.906 4.756 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@@H](N)C#Cc1cccc(Br)c1)C2 2296223872 DVXDGTBDCRLZKL-IBGZPJMESA-N 433.390 4.555 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(C)C 2296227286 NIYBPMHMFULFOT-WOIUINJBSA-N 435.406 4.718 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC(F)F)NC(=O)OC(C)(C)C 2296275425 ZDMLWRXABJUQQM-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C1CC1 2296300063 CKHVGMRMWMXSKX-RTBURBONSA-N 435.406 4.718 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CC1(C)C 2296308300 GEDCMVZKVFNUMW-GCJKJVERSA-N 435.406 4.862 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 2305197821 RPROUJPMAIBTOS-HOSCZWGSSA-N 428.573 4.696 30 10 IJEE COc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 2314478568 UPDQHEJYTDJNNU-VWLOTQADSA-N 425.484 4.873 30 10 IJEE O=C(C=Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 2318788273 HANYVUCADJBDST-UHFFFAOYSA-N 444.068 4.885 30 10 IJEE COc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc3cc[nH]c3c2)cc1 2321823701 OYHNQTUIGOEOCQ-UHFFFAOYSA-N 448.552 4.504 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(OC)cc2)cc1OCC 2322016429 IGALTSRMMCWWBX-UHFFFAOYSA-N 440.569 4.626 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCO3)c(C)c1 2322687755 JZBJKUKZVFWOAG-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)cc1 2322868629 KDULSIIICGAKQA-UHFFFAOYSA-N 434.469 4.607 30 10 IJEE CCCNC(=O)COc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC 2323231768 LLWUEFAJIAYHBG-UHFFFAOYSA-N 439.552 4.937 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)NCc1ccco1 2323815985 JYKSDXUYRWVIIT-UHFFFAOYSA-N 431.488 4.608 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c(OC)c1 2324464546 HITJYHLMJHNKMQ-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE O=C(C=Cc1ccccc1C(F)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2325571961 HUASGMSWMSVGMI-UHFFFAOYSA-N 449.384 4.702 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3)c2)c(OC)c1OC 2325786252 BQJQJTPXBGUIPJ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc(F)c3)c2)c(OC)c1OC 2325787083 YXLHGFWYKONTHZ-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2325973096 SSAMIDQFGADFMS-UHFFFAOYSA-N 446.330 4.534 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cc(OC)ccc1OC 2327082517 SSGJAMMDFKFTLF-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1[N+](=O)[O-] 2327266129 VVWSHMFHNCJYBI-UHFFFAOYSA-N 425.514 4.685 30 10 IJEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc2c(c1)OCCO2 2327739339 OPKUVBOBJFRADH-UHFFFAOYSA-N 430.533 4.788 30 10 IJEE CCCOc1ccccc1C=Nn1c(CCc2ccccc2C)nnc1SCCCO 2329507257 PDKCJTSVEFPFFK-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1 2329611501 TYTQSGYHUCRZCO-UHFFFAOYSA-N 428.945 4.772 30 10 IJEE CCOc1ccc(CCNC(=S)NN=Cc2ccc(C(F)(F)F)cc2)cc1OCC 2330422038 HFOYVTWCSVGCLY-UHFFFAOYSA-N 439.503 4.544 30 10 IJEE COc1cc(C=NNC(=S)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 2330452698 NZCHHSQFDHHGHK-XODARUQUSA-N 437.609 4.897 30 10 IJEE CCOc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)ccc1O 2331385865 PHVGCGKPOKEAIQ-UHFFFAOYSA-N 428.533 4.994 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)cc1 2331729138 BNCLONAWXQRTOD-UHFFFAOYSA-N 444.564 4.812 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1Cl 2332187522 PTBBUBAPALHVAZ-UHFFFAOYSA-N 448.697 4.760 30 10 IJEE Cc1cc(CNc2cccc(I)c2)ccc1B1OC(C)(C)C(C)(C)O1 2343592082 RBFJBFOPGMGDGJ-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE CCCN[C@@H](C#Cc1nc(CC)cs1)CCCCCNC(=O)OCc1ccccc1 2363929873 UDTDOSXPDSUWTI-JOCHJYFZSA-N 427.614 4.912 30 10 IJEE CSc1cc(NC2CC3(C2)[C@@H](NC(=O)OCc2ccccc2)C3(F)F)ccc1C#N 2382185068 UBPOGLPYZIEYJQ-MOMVYJMYSA-N 429.492 4.785 30 10 IJEE C=CCc1ccccc1OCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21 40277941 TVTAUNISBQXRCD-UHFFFAOYSA-N 429.495 4.913 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)c(OC)c1 41654814 XFCBSKJKFQHPSW-FMCGGJTJSA-N 449.528 4.776 30 10 IJEE C=C(C)COc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)c1 66108467 OOJQZWIWRSAQOE-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2)cc1 66437674 BTJCVCUZZANXHP-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE N#Cc1cccc([C@@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc23)c1Cl 96290572 LYIBIDDJIASIOV-OAQYLSRUSA-N 428.923 4.969 30 10 IJEE COc1c(Cl)cc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1Cl 169902223 OTBOSYTUTGDBAV-SSDVNMTOSA-N 429.369 4.920 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccs2)c1 169928534 WCGCPANKYBPKGQ-NRFANRHFSA-N 437.492 4.983 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(N(C)C)cc2)c1 169955645 DGXTVMINGKPLAJ-DEOSSOPVSA-N 441.531 4.543 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@H]1c1ccc(O)c(OCC)c1 169974271 FYURQCSUCICUHJ-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1cccnc1 170002387 AIBMCWYRNWZWCO-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170054238 WPDLCWDBVNIDEL-AREMUKBSSA-N 441.527 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 170066372 WCFNFQNJJZENIH-URXFXBBRSA-N 449.547 4.884 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)c(OC)c1 170133043 SNPZUGSSVUGWCH-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccnc1 170185430 PQIPLOBFZKHJFX-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccnc1)c1ccc2c(c1)CCCO2 170189053 KTVIVWIFCQZVFZ-QFIPXVFZSA-N 446.890 4.843 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccnc2)cc1 170191571 JOHBJKIRONFLSO-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccncc1 170198988 YFZRRXRORNOJGP-QFIPXVFZSA-N 436.552 4.691 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)c1 170205062 GFAQHCWWXQERCV-QHCPKHFHSA-N 444.487 4.666 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1c[nH]c2ccccc12 170255842 XPQVNIAEFQNUTH-NRFANRHFSA-N 430.460 4.911 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccco2)ccc1Cl 170288890 CMODCVLQOYEMBB-HXUWFJFHSA-N 439.851 4.739 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303468 OKEDYBXVPQOSTD-IBGZPJMESA-N 438.823 4.933 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1 170392958 BAZZUXZIMLZCOB-DEOSSOPVSA-N 440.499 4.990 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]3c3cccnc3)sc2c1 170481848 CZISGBSZVKNXEN-SFHVURJKSA-N 437.521 4.605 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(C)c2n1 170537129 HNDLNADUAZXNJT-UHFFFAOYSA-N 442.519 4.928 30 10 IJEE CC(C)c1ccc(/C=C2\S/C(=N/[C@@H]3C(=O)C=CCC3=O)N(c3ccccc3)C2=O)cc1 229902221 AKBBGRQRKONFHU-KFCBDQBDSA-N 430.529 4.754 30 10 IJEE CC1(C)OB(c2cc(F)ccc2NC(=O)c2ccccc2OCc2ccccc2)OC1(C)C 404916961 PQYYUDBFDSIAGA-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(Cc1ccco1)Cc1ccco1 460962765 YCEBATQZUGBYBJ-UHFFFAOYSA-N 434.496 4.931 30 10 IJEE C=CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 502572427 WWAKRCZAQTTWKL-UHFFFAOYSA-N 438.296 4.591 30 10 IJEE C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)s1 507255798 BVQGSYBKQMAJNI-LBPRGKRZSA-N 430.917 4.615 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 509000865 ZGNMXNCCKZZFPF-INIZCTEOSA-N 449.342 4.522 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccccc2Cl)=C(SCc2ccco2)C1=O 526669658 AQJUBQGBDXRQRJ-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE CS(=O)(=O)c1ccc(-c2nc(COc3ccc(-c4ccc(C#N)cc4)cc3)co2)cc1 534168197 JLQJAABJENVXJL-UHFFFAOYSA-N 430.485 4.863 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 549705414 CUWRARHNYWPXRQ-FQEVSTJZSA-N 449.382 4.933 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 555238509 UPFSMPLXIZGNGN-DHIUTWEWSA-N 437.632 4.567 30 10 IJEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 559006316 NKIPXZKLZPKFMZ-QZTJIDSGSA-N 436.478 4.782 30 10 IJEE C=C(CC(=O)/C=C/c1cccc(F)c1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585826944 ZXWRYXRRVYJUDW-ZHACJKMWSA-N 449.570 4.798 30 10 IJEE C=CCC1([C@H](Cc2ccncc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722941312 QXGISQZKGOIRFW-SFHVURJKSA-N 438.410 4.568 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1cc(Br)cs1 730688125 RWAPYTBNWJLKBZ-QGZVFWFLSA-N 433.371 4.916 30 10 IJEE COc1cc(Cl)c(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 750436965 HRFRVZIAUFVITD-VIFPVBQESA-N 439.320 4.608 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 765033565 KQRBPMGOFORSJD-UWJYYQICSA-N 439.560 4.611 30 10 IJEE C#CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCOc2ccc(Br)cc21 776919428 HUNUZNXLFXJVSI-FQEVSTJZSA-N 435.321 4.603 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2csc([C@H](C)OCC)n2)CCCN1C(=O)OC(C)(C)C 790678134 QGGHJPZZPQZVDN-KSFYIVLOSA-N 437.606 4.545 30 10 IJEE C=CCn1c(C)nn(CN2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)c1=S 793726826 ZPASYYSRYDHTDI-HSZRJFAPSA-N 427.662 4.531 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1ccc(Cl)c(F)c1 921298002 PQCQWAHZXZJMGD-QGZVFWFLSA-N 439.737 4.761 30 10 IJEE Cc1ccc(C=NNc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)n[nH]2)o1 1084133185 QKKXWVNOKCBJSA-UHFFFAOYSA-N 432.509 4.609 30 10 IJEE COCOC(C)(C)C#C[C@@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H](OC(=O)c3ccccc3)CCC[C@]21C 1084293995 KZCGXVQSDRGSNX-XOJZRFPESA-N 442.596 4.828 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc2cc(OC)c(OC)cc2c1 1124607356 MAVZCXCEOSKJSE-UHFFFAOYSA-N 436.460 4.600 30 10 IJEE C#CC[C@@]1(C(=O)OCc2cc(Br)ccc2C)CCCN1C(=O)OC(C)(C)C 1127382791 OQXFOPNXYOJVRO-NRFANRHFSA-N 436.346 4.594 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cc2sc(SC(F)F)nc2C)cc1 1128193456 LDWQYMGHNCIFEF-UHFFFAOYSA-N 426.510 4.957 30 10 IJEE C=CCC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CCCC1 1128862010 JKYUEFZFHJPQIV-UHFFFAOYSA-N 446.657 4.638 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)c1ccc(Br)cc1 1141461230 QWQURWFDTJCLQF-QFIPXVFZSA-N 432.321 4.833 30 10 IJEE C=CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1169292927 OVWWHNOKMDBSOF-HXUWFJFHSA-N 436.430 4.776 30 10 IJEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(C)(C)C)ccc1C 1189221735 XULJZFSFYXGTQZ-JOCHJYFZSA-N 443.609 4.644 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F 1219995761 NPBDBZJIXIRUAX-ZDUSSCGKSA-N 437.940 4.648 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C(C)C 1221032033 JXZUSBGUBSMOTO-NRFANRHFSA-N 433.552 4.760 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 1221992754 FNJRBGGDHUZDSZ-HSZRJFAPSA-N 446.469 4.904 30 10 IJEE C=CCC1(CNC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)CCCC1 1228271067 WYZYVYLKOKARFZ-LEWJYISDSA-N 445.579 4.964 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccc(C(F)(F)F)cc1 1230693992 OPOISJSJBSNBFO-QFBILLFUSA-N 425.495 4.611 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 1264325829 MSNQDLJYFBNIOT-UHFFFAOYSA-N 441.483 4.699 30 10 IJEE C=CCc1cc(CNC(=O)c2sc(-c3ccccc3F)nc2C)cc(OC)c1OC 1264831173 MXVGQXRQMXVMRX-UHFFFAOYSA-N 426.513 4.933 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1286355339 LSYFKDJBQIKMOD-UHFFFAOYSA-N 436.600 4.784 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1CCCC 1286368337 SECWTEUGIFXKNF-GOSISDBHSA-N 434.415 4.976 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1CCC 1286423972 RTTZCBYXMKBYPX-VWLOTQADSA-N 445.655 4.970 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cscc1C 1286457452 PLOWCOPPOGPUFJ-HXUWFJFHSA-N 438.597 4.539 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C(C)(C)C)C1 1286504304 LOHJSXLDWPDNBN-IBGZPJMESA-N 435.597 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC(F)(F)CO1 1286570660 DTHFLLZLVAOTSA-AWEZNQCLSA-N 441.320 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1286584142 XJQMXVFYQMONMC-ILBGXUMGSA-N 448.615 4.710 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([S@](C)=O)CCC2)CC1 1286640769 PROMJUJQAJNROZ-PMERELPUSA-N 426.630 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286674194 AIHZAHIYKJAONX-RBBKRZOGSA-N 437.632 4.695 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@H](C(C)C)C1 1286693327 ZOGXCPMUYXVDJN-KRWDZBQOSA-N 438.439 4.590 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)SC)C1 1286802469 UIWZQFYNBXWPPJ-WMZOPIPTSA-N 432.659 4.808 30 10 IJEE CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCC1(C)C 1287206500 BUYPAUAAKRKQKR-HSZRJFAPSA-N 434.632 4.812 30 10 IJEE COC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CCCCC1 1299823191 GGAQIRNLUHVYHP-NHCUHLMSSA-N 443.636 4.676 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1300963299 RSWOSBPOQAJAAO-PKTZIBPZSA-N 437.632 4.832 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1301124188 HAPDBTYBGZNSRX-UHFFFAOYSA-N 438.620 4.847 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 1301947548 YQUBTSSCGVNAJR-XLIONFOSSA-N 426.561 4.519 30 10 IJEE Cc1csc([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)n1 1304616873 CIQPFFCNGXWXCI-PVAVHDDUSA-N 442.564 4.864 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CCOC 1306307713 BBAXJTWMXDTCPI-SJORKVTESA-N 433.959 4.930 30 10 IJEE C=CCn1c(SCC2(S(C)(=O)=O)CCCCC2)nnc1-c1cccc(Cl)c1 1307322731 YWYKEGJJAJDRPO-UHFFFAOYSA-N 426.007 4.624 30 10 IJEE CS[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1316390888 BYQCHOIILCKKCU-BEFAXECRSA-N 442.633 4.521 30 10 IJEE C=CC[C@]1(c2nnc(-c3ccc(OCC)c(OC)c3)o2)CCCN1C(=O)OC(C)(C)C 1323059292 IKVCTUGSDRJHIW-HSZRJFAPSA-N 429.517 4.946 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCC[C@@H](OC)C1)c1ccc2c(c1)OCCO2 1350583123 MEVVPNDOHXLWHJ-SIKLNZKXSA-N 437.536 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)c1ncc(C)s1 1358874507 XXHDAKSXDJUIQL-ZOBUZTSGSA-N 427.549 4.584 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCSC(C)C 1359063828 FGZLNLLAAKTZDU-YADARESESA-N 442.629 4.951 30 10 IJEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCCC(C)C)CC1)c1ccccc1 1359139568 WUZNCQFDENQIRR-HSZRJFAPSA-N 438.616 4.917 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359187894 AUPYZNPGSVFJLY-QFIPXVFZSA-N 441.595 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1359190143 GPHUFAGJMCDBAL-OAQYLSRUSA-N 426.580 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359191127 OCDASEVLVUASGR-IBGZPJMESA-N 449.565 4.738 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccsc1)C1CC1 1359250535 MZJSHVNRWCWNHD-UHFFFAOYSA-N 443.617 4.657 30 10 IJEE C=CCCn1cc(C(=O)N(C)Cc2cc(C)c(OCc3ccccc3Cl)c(C)c2)nn1 1360294315 GOKAPHVBPSOZOW-UHFFFAOYSA-N 438.959 4.976 30 10 IJEE C=CCCCCCN(C)C(=O)c1ccc(I)c(Br)c1 1360894456 CSUFFCQJVXCJHU-UHFFFAOYSA-N 436.131 4.872 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1 1457863444 WZDAMYQIIRNRJK-CYBMUJFWSA-N 428.069 4.768 30 10 IJEE C#CCN(CCOc1ccccc1OCC)[C@@H]1CCOc2ccc(Br)cc21 1459520140 XESRLSSHXZOLAN-LJQANCHMSA-N 430.342 4.686 30 10 IJEE C#CCOc1ccc(CNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 1460180550 NXXNZBXMKIPQCH-UHFFFAOYSA-N 426.925 4.626 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1 1460787004 HGJPPHBTFKRLEY-RWQVGUPQSA-N 441.358 4.878 30 10 IJEE C=C[C@@H](OC(=O)c1cnn(-c2ccccc2)c1I)c1ccccc1 1461552548 XRMGYTXLWDQTDP-QGZVFWFLSA-N 430.245 4.561 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CCCC1(C)C 1465317940 SRKWRWYFURNJEX-IBGZPJMESA-N 436.394 4.884 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2cc(-c3nc4ccc(F)cc4n3C(C)C)ccc2C)CC1 1465760598 OKYFYVAWEBJXMC-UHFFFAOYSA-N 434.515 4.724 30 10 IJEE C#Cc1ccc(NC(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c(Cl)c1 1467402812 IXYOAPGOWXXFMD-JOCHJYFZSA-N 434.927 4.729 30 10 IJEE C#CCN(C(=O)NCCOc1ccc(Br)cc1)[C@H]1CCCc2ccccc21 1468395963 YUPNRIJFBSNPBC-NRFANRHFSA-N 427.342 4.550 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 1472175130 KJLHQQQFGQFYEE-PMACEKPBSA-N 446.588 4.744 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)c1ccccc1 1475813043 YXDDOGUQIAATFY-NRFANRHFSA-N 439.581 4.526 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CCCC1(C)C 1476180941 LABZVPNYENHWHQ-SFHVURJKSA-N 425.570 4.501 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC)C[C@H]1COc2ccccc2O1 1476729677 XOLLPLFAJPPEHW-INIZCTEOSA-N 447.329 4.708 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1507580843 LWOWLCDUDDUWEX-KRWDZBQOSA-N 442.350 4.718 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C)c1ccccc1 1507681506 WDUIYKQKNHQOPF-MRXNPFEDSA-N 426.362 4.689 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1507873233 BMLYMATYCYBWOW-UHFFFAOYSA-N 443.020 4.749 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1507909523 IWRVKOZOTIMJKA-LJQANCHMSA-N 447.624 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1507917505 QHIQQTYQRHSSOE-SFHVURJKSA-N 430.666 4.809 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1507949425 FZGGDMLTMJNDQC-UHFFFAOYSA-N 441.620 4.931 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1508020405 NEWHJEXHYMGKHB-RTBURBONSA-N 442.677 4.569 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@@H](O)C1 1508027993 QECFUDMOBCRGAI-RBUKOAKNSA-N 440.975 4.978 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC[C@H]1C 1512987560 ATCRLSKGMAOYIK-IMSXRSKXSA-N 434.632 4.812 30 10 IJEE C=CC[C@]1(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)CCCN1C(=O)OC(C)(C)C 1521360398 BAWCJUHSEFFMQD-HSZRJFAPSA-N 442.585 4.722 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(c4cccc(Cl)c4F)CCCC3)cc2C1=O 1522885145 BIIGHWJIOPDEPC-UHFFFAOYSA-N 440.902 4.503 30 10 IJEE C=CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524295406 JHRGIEIQUAZUQQ-ONNFQVAWSA-N 435.461 4.679 30 10 IJEE C#CC[C@]1(C(=O)N2CCc3oc(-c4ccccc4)cc3C2)CCCN1C(=O)OC(C)(C)C 1527780424 LZTXURUGWHRPPX-AREMUKBSSA-N 434.536 4.624 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)cc1 1535242340 FFAIZRAISTVLIM-UHFFFAOYSA-N 425.488 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](SC)C(C)(C)C 1539334162 VJTZNXMIJABYFX-JOCHJYFZSA-N 438.641 4.715 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1539497403 LUUFSCXYNDOVIJ-GOTSBHOMSA-N 438.641 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)[C@@H]1CC 1539619924 IMXROLYTWNATCQ-QXGSTGNESA-N 448.409 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCC(F)(F)CC1 1539665920 JMBLRJHGMWKXEE-UHFFFAOYSA-N 442.514 4.822 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1539722252 CYAPBUCPHYICFL-DHIUTWEWSA-N 448.615 4.654 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(Cn2cc(C)cn2)CC1 1539959591 LUZGJMXUGPVTSI-UHFFFAOYSA-N 434.588 4.732 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCCCC2)C1 1539981756 LBCWRGHPPAFRJM-UHFFFAOYSA-N 448.409 4.932 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](c1ccsc1)N(C)C 1540049573 OHWDHDAFTJYQCZ-LPHOPBHVSA-N 429.565 4.544 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCN1CCC)C1CC1 1540115790 IOMSXHQIQVKHFU-BHDDXSALSA-N 429.653 4.616 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1540856467 ZTSFEBBABURTBA-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)C1CCCCC1 1540865036 SMAHVEBCADNVKW-KRWDZBQOSA-N 441.645 4.593 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1540919215 KCIPZCOKCLUCRU-UHFFFAOYSA-N 428.499 4.944 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cc1 1543196699 BOXSLZSUOPNWEH-FQEVSTJZSA-N 434.542 4.609 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 1543967915 FEPGYXOCXKOSSE-HRAATJIYSA-N 443.906 4.686 30 10 IJEE C=CCn1c(S[C@@H]2CCCNC2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1559316180 WTFPVYISSCKSJQ-NVXWUHKLSA-N 430.643 4.714 30 10 IJEE N#Cc1ccc(NC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1Br 1562778921 BXVIVVINZGTJOR-MRXNPFEDSA-N 443.128 4.873 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)CCOC2)[C@@H]1CCOc2ccc(Br)cc21 1563069896 AQFFRMYGHXAZRB-HXUWFJFHSA-N 441.325 4.513 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 1564191177 HQLSPVIOPNOYGG-DEOSSOPVSA-N 432.907 4.681 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)[C@@H]1CCCO1 1567814356 HIXTWFINVUUGHH-OALUTQOASA-N 430.367 4.652 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CC(O)(c2cccc(Cl)c2)C1 1570552367 DIYHJLPWMHYADG-DOOHWEDMSA-N 436.861 4.897 30 10 IJEE N#C[C@H]1CCC[C@H](OC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 1583558950 AOUOXLLBCCKMEY-YJBOKZPZSA-N 446.425 4.962 30 10 IJEE C#C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 1583578116 AGTOLEFAFJPHPL-CQSZACIVSA-N 446.809 4.989 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1584358786 CTIDLRHGKFIIFV-AUSIDOKSSA-N 439.600 4.623 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 1587437602 SLGDOFLRYJDQHS-XXBNENTESA-N 436.955 4.709 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCO[C@H]1C(C)C 1587921805 JRXDEFRVEFOJHD-RDGATRHJSA-N 445.611 4.873 30 10 IJEE C=CC[C@]1(C(=O)Nc2nnc(/C=C/c3ccco3)s2)CCCN1C(=O)OC(C)(C)C 1587926559 ZANZXCFRUCVARO-LCCNJJIFSA-N 430.530 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1N1CCCCC1 1589687696 KXTGIKDNTGIPPR-UHFFFAOYSA-N 447.631 4.581 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1 1589722218 ZTNCPHNZYPRURW-STQMWFEESA-N 425.371 4.753 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccnc(SC)c2)CC1 1594036715 WMSOGLXPHSFMFG-UHFFFAOYSA-N 443.523 4.868 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCC[C@H]2C)CC1 1594134601 UBXBJRBCOXSJIK-YPAWHYETSA-N 429.653 4.618 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCOCC(F)F)CC1 1594229329 KWLQWNSEENWGGN-UHFFFAOYSA-N 443.498 4.674 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(OC2CCCCC2)c1 1595212820 SPOCALUJJMKGLT-QFIPXVFZSA-N 437.588 4.853 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)CC1 1596947175 AERFCIVWECLADR-UAPYVXQJSA-N 444.531 4.849 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)cc1 1596952354 CGNGOSJOBWFZBJ-UHFFFAOYSA-N 435.915 4.659 30 10 IJEE C#C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(Br)cc1 1596977862 JCOCIGXNYIGOKL-IBGZPJMESA-N 428.257 4.865 30 10 IJEE C[C@@H](CCn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCCC1 1611400992 CFBXHGXHLHLHNZ-HOFKKMOUSA-N 448.659 4.848 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c(Br)cccc21 1611454012 XKZMDYFZWCKMLF-ZWKOTPCHSA-N 437.378 4.802 30 10 IJEE C#CC[C@@]1(C(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1616467406 FMHACOOEOUQZMB-OSPHWJPCSA-N 430.976 4.621 30 10 IJEE N#Cc1ccc(C2CCN(CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC2)cc1 1620622764 AHQLXRSJAXSAEG-UHFFFAOYSA-N 441.497 4.948 30 10 IJEE N#CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1 1623989111 DHJAXSYPMPOHTD-IBGZPJMESA-N 429.904 4.512 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 1629718516 CSFJAFFHRHMOPL-IZZNHLLZSA-N 426.516 4.943 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccccc1OCc1ccccc1 1634193041 BAHWBSFADKPDMG-ZEQRLZLVSA-N 426.516 4.943 30 10 IJEE C#CCN(C(=O)Cc1coc2c(C)c(Cl)ccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1634817997 LKBCRJHCGRPYQN-UHFFFAOYSA-N 444.959 4.798 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)Cc4ccccc43)cc21 1636358135 QCKOKBLEXCEULZ-OAQYLSRUSA-N 432.524 4.695 30 10 IJEE C=CCCC1(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)CCCC1 1641357639 VEBKGYOSHNTWBR-QHAWAJNXSA-N 434.621 4.824 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1 1642099379 RJYMDCOWNIYFEI-AWEZNQCLSA-N 443.522 4.675 30 10 IJEE C=CCn1c(SCC(=O)NC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 1643417094 NUKRFKLMEZESQA-UHFFFAOYSA-N 449.580 4.869 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3 1651648514 UYKQYFHXQFKSDY-GJZGRUSLSA-N 433.643 4.508 30 10 IJEE COC[C@@H](C)n1c(C)cc(C(=O)Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)c1C 1652063005 HIAFYPIBWXQSDQ-CQSZACIVSA-N 443.956 4.611 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)[C@H]1CCCc2ccccc21 1652653265 MVZCTUTVHUFDGK-QFIPXVFZSA-N 434.337 4.992 30 10 IJEE C#Cc1cccc(N(CC(=O)NCCOc2ccc(C(C)C)cc2)Cc2ccccc2)c1 1652883179 HFPMMPAMWIIITQ-UHFFFAOYSA-N 426.560 4.993 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 1656071716 BYMOEZPEQGIGBQ-INIZCTEOSA-N 434.443 4.551 30 10 IJEE C#CCN(Cc1ccccc1)S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 1663247784 PHBOQDLOQGZACW-UHFFFAOYSA-N 436.480 4.653 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(C)(C)C)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1664444036 GHTPDHHMRIXUET-UHFFFAOYSA-N 431.552 4.990 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1669412954 DCQQVRGDQITFAX-QGZVFWFLSA-N 425.451 4.750 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1nc2c(s1)CCCC2 1670845770 UFVJNKZBMQULAD-UHFFFAOYSA-N 436.375 4.713 30 10 IJEE COc1ncc(NC(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)cc1C#N 1672970902 FMRXCLLRFIRAPL-FQEVSTJZSA-N 440.475 4.873 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1csnc1-c1cccc(C(F)(F)F)c1 1674967925 NHMWPCTWKISFAB-UHFFFAOYSA-N 439.459 4.638 30 10 IJEE C=C(C)[C@@H](NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1ccc(F)c(F)c1 1677322536 VTLGVXCHJINXDJ-OAQYLSRUSA-N 435.559 4.695 30 10 IJEE Cc1nc(NC(=O)N(C[C@H](C)C#N)C2CC2)sc1Cc1cccc(Br)c1 1677552440 DKYIKWIMVRRSEI-GFCCVEGCSA-N 433.375 4.961 30 10 IJEE COc1ncc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1C#N 1680425868 IAAGBEFDNHZGLX-CQSZACIVSA-N 432.324 4.796 30 10 IJEE C#CC[C@@H](NC(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1680515828 TWXIWBFVWURVHR-PXDATVDWSA-N 425.573 4.716 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(c2cc(OC)ccc2Cl)CC1)c1ccc(F)c(F)c1 1681550882 BEELXQSIHROFFW-OAQYLSRUSA-N 435.902 4.776 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(F)c(F)c1 1681559769 GEWRDPHTHZDUEF-AOHZBQACSA-N 432.486 4.794 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1cc(Br)ccc1O)c1ccc(Cl)cc1F 1682366386 FFYKJTFXCFBFAQ-KRWDZBQOSA-N 439.712 4.853 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)C)CC1 1690305024 UYHBAHNEQJXICE-UHFFFAOYSA-N 439.648 4.802 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[C@H]2C)CC1 1690374030 MSIJFXMOTLADLY-TZIWHRDSSA-N 443.636 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690576043 LHTIPAFSUVYHNP-WOJBJXKFSA-N 436.629 4.715 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCCS2)C1 1690711715 HBFGCBLUCJGCLL-NHCUHLMSSA-N 442.629 4.541 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](c1ccsc1)N(C)C 1705544751 CMXHWOQCVRTYNX-VQIMIIECSA-N 439.654 4.565 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(OC(C)(C)C)nc1 1705608902 JEMFMNFILNCTAB-UHFFFAOYSA-N 440.551 4.573 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)c1nccs1 1705657968 XSCFZQZNVUZYCQ-OAHLLOKOSA-N 432.018 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CC(C)C 1705698722 XSWGMQBXGRJJON-OFNKIYASSA-N 434.588 4.799 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1705726837 JEZDJNVVQNFASR-HXUWFJFHSA-N 445.405 4.927 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCc2sccc2C1 1705727169 JXKRZEULZJBZGJ-UHFFFAOYSA-N 445.386 4.820 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705731750 BRLWAVMNINTIIL-DENIHFKCSA-N 426.605 4.697 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCCc1ccccn1 1705760008 WXOIEEXUJJHRSQ-UHFFFAOYSA-N 425.964 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CC2(C)C)CC1 1705764625 GIDQYAHWRPFSAJ-OAHLLOKOSA-N 431.378 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705794329 DATSGEALENIWCR-OAQYLSRUSA-N 448.615 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCC[C@@H](SC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705802302 HGBYHNDQQRMNPM-AUSIDOKSSA-N 436.666 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1705802378 JSFMTRFSRFXQBT-GOSISDBHSA-N 449.640 4.547 30 10 IJEE C=CCCCn1c(N2CCc3sccc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705824153 IBZJWWPXAPQLLG-HDICACEKSA-N 443.617 4.639 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@H]1C 1705825425 SVSVRIPQQFRBAW-LEWJYISDSA-N 442.604 4.631 30 10 IJEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)c1cccs1 1705833918 ZHTLAFHYMFVVEU-UHFFFAOYSA-N 444.004 4.523 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](c1cccs1)N(C)C 1705834092 DHIGCFXABJOMNC-FUHWJXTLSA-N 429.565 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1Cc1cccc(C(F)(F)F)n1 1705867061 GXHIMRANDLWXRS-UHFFFAOYSA-N 437.491 4.531 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)C 1705883454 IYPUQXBXNSBDNA-CVDCTZTESA-N 437.588 4.516 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CC2(C)C)C1 1705921183 NHSFJDBJWAAFOI-PMACEKPBSA-N 440.588 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CC2(C)C)C1 1705921186 NHSFJDBJWAAFOI-WOJBJXKFSA-N 440.588 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2cccnc2)C(C)C)C1 1705923532 IIYKBAKNXKLORI-JWQCQUIFSA-N 445.611 4.793 30 10 IJEE C[C@@](O)(Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1)c1cccs1 1706897396 AZBHHQQPPWSDKY-JOCHJYFZSA-N 441.988 4.698 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C1CCCCC1)N(C)C 1722278635 QDELZMSOIHOKFE-JQVVWYNYSA-N 441.595 4.526 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOc1ccc(F)cc1 1722415619 CZXOKZYGTHVQDV-FGZHOGPDSA-N 442.579 4.655 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(F)(F)F 1722495898 ULVNKVDNXMVGGO-OXQOHEQNSA-N 445.489 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1cnccc1OC 1722505602 OGCDSJRQPIDTAX-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1c[nH]c2cc(C)ccc12 1722514992 IDAHHZUXMSLJBU-UHFFFAOYSA-N 431.588 4.575 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1722535545 CWNSQQBXLDRSAU-UXHICEINSA-N 426.605 4.982 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1c(C)noc1C 1722545862 BWFKAIHJCCKUOI-UHFFFAOYSA-N 436.741 4.701 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCN2CC)CC1 1722564408 PKXDVAQSFWWROJ-PMACEKPBSA-N 427.568 4.588 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OCCC)nc2)CC1 1722583598 UFSXTPOECZSMFF-UHFFFAOYSA-N 435.547 4.643 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722620062 IMTGAZHLQFQFHR-YPAWHYETSA-N 442.579 4.880 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1cc(C(F)(F)F)ccn1 1722635306 VXJUYQJGGRIVII-HNNXBMFYSA-N 449.452 4.836 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCC[C@H]1C)C1CC1 1722653471 DDIIYEPYAIICLP-BCHFMIIMSA-N 438.616 4.861 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@H](C)C1 1722659959 IKWFKXRLSNHBCY-FQEVSTJZSA-N 448.590 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)CCCO1 1722664195 SDPWFJCYDADVKJ-QHCPKHFHSA-N 426.561 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CC1(O)CCCC1 1722664332 WYKXQPSWKBFASP-UHFFFAOYSA-N 426.561 4.567 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C(C)C)N1CCCC1 1722666482 OVCQDDBIHQFTOB-QHCPKHFHSA-N 430.600 4.792 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2sccc2C1 1722735946 VRBXDMXNXPGETE-UHFFFAOYSA-N 442.610 4.506 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740632942 YMPIVJNYFBMDSE-VWNXMTODSA-N 444.623 4.662 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1Cc1nc(C(C)C)cs1 1740651266 DMCZJBHMSUXOID-UHFFFAOYSA-N 440.576 4.584 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1Cc1cc(C(CC)CC)no1 1740732537 HDYXBTZQMVMPPJ-AREMUKBSSA-N 447.583 4.810 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740801935 HOQMLOWWWXKMME-FUHWJXTLSA-N 447.986 4.620 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2CCCCNC(=O)OC(C)(C)C)CC1 1740821465 JYERFPQCEUUWRM-UHFFFAOYSA-N 425.577 4.715 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1740828450 KYZAWOCZVKACQC-UHFFFAOYSA-N 431.584 4.840 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740843959 UQXVWLFBCPFGCT-UXHICEINSA-N 429.653 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC)C1 1740844803 VIRWFINEPMGNJT-SFHVURJKSA-N 430.618 4.577 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCOC2(CCC2)C1 1740866603 IXOKHGXJHFIISV-UHFFFAOYSA-N 428.602 4.695 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1740886706 PZEKCYJUKKSMSJ-UHFFFAOYSA-N 437.632 4.547 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)Oc1cccc(F)c1 1740904897 BJEBPOCYTQNMJG-HMXCVIKNSA-N 430.568 4.816 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740921252 OMYMWGPUYIIRDD-NHCUHLMSSA-N 427.612 4.929 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(C(C)C)CC2)C1 1740971925 AKMUDZFMBRTSTP-MOPGFXCFSA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](C)[C@H]1C 1741001055 JWPOYOJEFACRME-IAGOWNOFSA-N 441.626 4.850 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1748685703 DRVZNKSMJXSKCG-KCZVDYSFSA-N 438.616 4.853 30 10 IJEE COc1ccc(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1748699910 DQXWVQPEUISNHF-UWUFEASWSA-N 437.588 4.537 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1748772437 OAZLKSXZAQWHGP-IYWMVGAKSA-N 445.007 4.961 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1csc(C)c1 1748856283 XASRBLHAAPDGEF-UHFFFAOYSA-N 432.593 4.646 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC[C@H](C)N1CCCCC1 1748940001 BRRCZBYUBWNSLA-SFTDATJTSA-N 425.596 4.835 30 10 IJEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(CC)o1)c1ccccc1 1749241975 XZDAVXMUKWTNSJ-OAQYLSRUSA-N 433.556 4.627 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCSC)CC1 1749288492 ZDOXRANBDIXHIS-UHFFFAOYSA-N 437.407 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnc(C)s1 1749376394 YFEHUWCBKQPBGW-UHFFFAOYSA-N 429.565 5.000 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1749383552 ZTKQHSJQDNLBIB-VWPQPMDRSA-N 444.583 4.768 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(c2cccs2)CC1 1749400441 BEZCCXWWLJAFPX-UHFFFAOYSA-N 425.577 4.752 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1749403765 KFVSORBSYPSGEB-UHFFFAOYSA-N 430.600 4.564 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccsc1 1749541859 VFLYYQPNFLYLTM-XMMPIXPASA-N 449.555 4.641 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCC2(C)C)C1 1749695673 HAERMXCEVXPECP-VQTJNVASSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCCC2)C1 1749746166 TVJCSJGDPTXZCZ-UHFFFAOYSA-N 436.423 4.725 30 10 IJEE CC(C)OCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1751049412 GWXAGAFBRPHXLE-KRWDZBQOSA-N 431.968 4.627 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCC1 1751276398 CRAFRMDBLIXZKW-ZWKOTPCHSA-N 445.011 4.684 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CCC(C)=C(C)C1 1760312494 YMHAMVVSGASXJF-UHFFFAOYSA-N 431.378 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1csc(CC)n1 1760330425 CGGNPPNIQMMFEC-UHFFFAOYSA-N 426.546 4.517 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1760390617 ORIKUEDSUFOSNU-UHFFFAOYSA-N 438.597 4.933 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1760398431 YDCQVIDDWPLREG-UHFFFAOYSA-N 447.583 4.977 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1C 1760561234 UTHSRORNGRCMEL-UHFFFAOYSA-N 438.645 4.840 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1 1760563783 CMOWKULQXMCQLR-QHCPKHFHSA-N 434.569 4.649 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccoc1 1761645031 GITGYKUHVRXZCW-KSFYIVLOSA-N 443.910 4.772 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC[C@H](F)C2)cc1OC 1766273787 CNMYQYBKGPCQIN-ICSRJNTNSA-N 441.551 4.621 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1ccc(OC2CCCC2)nc1 1767087606 CEFMIFLYJQIIJD-UHFFFAOYSA-N 444.583 4.848 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2C1)C(C)C 1767352721 CUKMUHJSOYLHKQ-NRFANRHFSA-N 435.597 4.892 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4cccs4)nc3c2)nc1C 1859737040 JOELMVRXBHADTL-UHFFFAOYSA-N 425.491 4.916 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)c(Cl)c1 1861929207 SQYOEMCCBHOGOA-HXUWFJFHSA-N 435.326 4.674 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432488 FZBGMQYYBLGXOY-HRAATJIYSA-N 436.895 4.579 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 1862442215 HAIPSBAUWCLYMK-NRFANRHFSA-N 444.934 4.789 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCN2CCCC2)[C@@H]1c1ccccc1)c1cccc(Cl)c1 1862442559 SPFCPUPJIVWCRK-JOCHJYFZSA-N 438.955 4.794 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1862445638 AIBNDPUXPJLXAS-IBGZPJMESA-N 434.319 4.998 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(OCCC)c1 1862462058 TUWZVLIIWCXORX-FQEVSTJZSA-N 431.410 4.657 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(CC)cc1 1862501425 BVKNFPWUZSCAMU-QFIPXVFZSA-N 425.500 4.701 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@H]2c2ccccc2F)cc1 1862529052 BIWMNEXGGGGOFQ-QHCPKHFHSA-N 438.543 4.698 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C(=O)O 1862677632 DZYZCMNZPILMOX-FQEVSTJZSA-N 425.456 4.683 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862682723 RRCOBMZYKFIAPF-JOCHJYFZSA-N 439.483 4.756 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862746068 YAEUAHMBBNKLAC-BTYIYWSLSA-N 438.480 4.760 30 10 IJEE COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862790717 BXBSDTIPEYDSFZ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866699537 FVLDWDFENRJBTJ-DQEYMECFSA-N 440.547 4.593 30 10 IJEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)CCCOc1ccc2ccccc2c1 1870144934 OFJHMDSIAHMFCY-UHFFFAOYSA-N 431.883 4.743 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CSc1ccccn1 1870189576 FEQMMWRPEYTDBU-UHFFFAOYSA-N 445.629 4.801 30 10 IJEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CNc2ccc(C)cc2)cc1=O 1871011149 ZIYTUNGAQLVTMY-AREMUKBSSA-N 441.575 4.618 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN(CCc1ccccc1)CO2 1871344821 XZSGOFOVDUKOBQ-UCQKPKSFSA-N 442.471 4.914 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871400089 GRQPJRNXDDVBON-KSEXSDGBSA-N 435.476 4.525 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871414306 FRTSSGGGYKMQKO-HAHDFKILSA-N 447.443 4.986 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)c1 1871456852 ANHLKTJAJUOFFU-UUYOSTAYSA-N 449.459 4.547 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(=O)(=O)CCC 1871796762 ZVSFEKACMSWFCT-IBGZPJMESA-N 441.380 4.901 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1871841447 NAGFIKQOQXTPNY-LJQANCHMSA-N 436.533 4.683 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1872007090 DFQXEXWUWOSOHV-KRWDZBQOSA-N 432.561 4.717 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872291529 GYRVDSDCNYRPMP-CQSZACIVSA-N 427.353 4.506 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763849 XAIXMFRMSOOAND-ZDUSSCGKSA-N 428.813 4.770 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203121 AESUURWQDGLBPZ-UHFFFAOYSA-N 427.504 4.644 30 10 IJEE COc1cccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1873209932 YAVOZDKEAVMCHN-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2/N=C/c2ccccc2)c(C(C)(C)C)c1 1874203464 CSRJDVHTYODFRC-PCLIKHOPSA-N 438.597 4.820 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)c(O)c1 1874217327 HBKIIXXBPGCNNK-LSHDLFTRSA-N 432.933 4.533 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccccc1O 1874475425 ZONKOWQMVOVIOI-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(OC)cc1 1874476272 IKWLYCCLPOGKLQ-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccccc2OC(C)C)cc1C 1874528679 WCHCRBLCNPBQFU-ZMOGYAJESA-N 437.569 4.604 30 10 IJEE O=C(CCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875118269 VVRGQOQWFLNTRJ-AWNIVKPZSA-N 446.415 4.937 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cnccn1 1875140284 YXULVCFIAKIDRI-MDZDMXLPSA-N 428.488 4.946 30 10 IJEE CC(C)[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CN1C(=O)OCc1ccccc1 1892795268 YYXORLWPINEUQC-RDPSFJRHSA-N 427.545 4.715 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](CC)(NC(=O)OC(C)(C)C)C(F)(F)F 1939654514 DNFUYSWWPUHTFY-NQIIRXRSSA-N 430.511 4.973 30 10 IJEE C=CC1(C[C@@H](NCC)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCC1 2002629971 JARUEBKWHVHTDU-GJZUVCINSA-N 427.633 4.880 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C1(C)C 2015048451 OZOGXLISGHTGTP-HSZRJFAPSA-N 431.533 4.728 30 10 IJEE CC#CCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2018316661 JKOOJHYGSQUPIC-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 2045250615 VRHXFOYZOSQCLI-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Cl)ccc(Br)c1F 2058343712 CFNGZSQVPKPWDF-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE CN(C)Cc1nn(Cc2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079173544 WAKIFCBJTSYOKX-UHFFFAOYSA-N 448.180 4.932 30 10 IJEE C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)C(C)(C)CN1C(=O)OC(C)(C)C 2118150076 BLGLFEGGRHRTLP-GFCCVEGCSA-N 426.330 4.684 30 10 IJEE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(c2cc(Br)cc(F)c2C#N)C1 2118192784 SNNCWBDGRJZUNC-CYBMUJFWSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1ccc(C#N)cc1Br 2162304194 YSFRIFXWTSYSDE-RTBURBONSA-N 428.330 4.923 30 10 IJEE C[C@@H]1SC(=NCc2c(Br)cccc2Br)N[C@H]1C(F)(F)F 2195325358 ZLZAOBGVUOQVIQ-QUBYGPBYSA-N 432.103 4.723 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)OC1(C)C 2199705930 NOODHCSDDZURIW-UHFFFAOYSA-N 441.380 4.871 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@@]34CCC[C@@H](CN3Cc3ccccc3)C4)cc2)OC1(C)C 2200730268 LZEJWNIZLHXULH-YWEHKCAJSA-N 446.444 4.520 30 10 IJEE CN[C@@H](C#Cc1sc(Br)c(Br)c1Br)C1CCC1 2216392749 IWZLSOJWVCPRCE-QMMMGPOBSA-N 442.014 4.775 30 10 IJEE C=C[C@]1(Oc2ccc([N+](=O)[O-])c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2229389538 LTNLHGQJVUFRTN-SFHVURJKSA-N 427.295 4.692 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2235733088 SZBBIXXAAQPCHG-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2235744928 AKTLURSJFGIVSV-ILZDJORESA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@@H](N)C#Cc1ccccc1Br 2235747514 QNZPNGXWHVQLHQ-OALUTQOASA-N 433.390 4.698 30 10 IJEE Cc1cnc(Oc2ccc(Br)c(F)c2F)c(B2OC(C)(C)C(C)(C)O2)c1 2241084028 XPKLNBRDLHXSAY-UHFFFAOYSA-N 426.066 4.522 30 10 IJEE C=C(CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1C)B1OC(C)(C)C(C)(C)O1 2255795552 HHUJPIMNUXMDDS-UHFFFAOYSA-N 443.374 4.503 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCCN(C(=O)OC(C)(C)C)C12CC2 2262208403 XJNDUMXCKKYCBL-RUZDIDTESA-N 445.556 4.553 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)C(F)F 2296267662 WAQPZXBPARORFB-RDJZCZTQSA-N 445.348 4.575 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C)N1C(=O)OC(C)(C)C 2296311085 RTDDHQPEIFQWTG-NSISKUIASA-N 435.406 4.957 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)C=Cc1ccccc1 2297485704 HHCPWTFUQURIKK-HHHXNRCGSA-N 442.584 4.950 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CCCC[C@H]2N(C(=O)OC(C)(C)C)C1 2305318658 FVIAIKPQXILGIC-DNRQZRRGSA-N 428.573 4.698 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317347914 FORKSMNSSCSNBM-DPYIKZRWSA-N 429.370 4.584 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Cl)cc1OC 2322347567 ORGHDLNNFKHGKQ-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cc(Cl)cc(C)c2OC)cccc1OC 2322942004 NRNADTHPYUSLLD-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE CCCOC(=O)COc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC 2323273852 JEFRKPXOTKLOOX-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(OC)cc1OC)C2=O)C(=O)O 2324781185 NYYFMNBEPFDQAD-GOSISDBHSA-N 426.465 4.651 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)c1 2325748829 HOEQWSGNDDZBRL-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(OC)cc1OC 2327082465 JFCQOQBDQHBEIH-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccn1C 2328240158 ZVNJGOAXULFVPR-UHFFFAOYSA-N 447.564 4.687 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCc3cccs3)nnc2SCCCO)cc1 2329686976 GLJAPKKHMAJBJM-UHFFFAOYSA-N 444.626 4.660 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)cc2)cc1 2331046933 DJIJVRMHUCBRIJ-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2331443419 PFWIRZFPMQKYAG-UHFFFAOYSA-N 425.514 4.568 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cc(C)ccc2O)cc1 2331494536 ZLBSJHQYEUZCGP-UHFFFAOYSA-N 449.580 4.735 30 10 IJEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1ccccc1OC(C)C 2331659134 DQIOLCJIKMPAIE-UHFFFAOYSA-N 445.633 4.641 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2cccc(C)c2C)c2ccccc2)cc1 2332190425 OFJCGDUSVICJEU-UHFFFAOYSA-N 449.514 4.944 30 10 IJEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)c1sccc1Br 2337329427 BTVXPKVVYWCWLK-UHFFFAOYSA-N 426.185 4.693 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H](CN(c3cccc(Br)c3C#N)C1)C2 2357628927 UFTNKIUQZBFWSC-YCRPNKLZSA-N 434.378 4.842 30 10 IJEE Cc1ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c(Br)c1C 2361763186 JKZMKQLZUTUCBU-MRXNPFEDSA-N 438.366 4.982 30 10 IJEE C[C@@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1ccc(Br)cc1 2364849476 RVLRJTXDXJKPGG-GFCCVEGCSA-N 437.574 4.970 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2365216615 WDXOUKVLSNPUMM-QZTJIDSGSA-N 439.394 4.723 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@H](O)C#Cc2ccc(Br)cc2)C1(C)C 2370080716 HGAMEJFLLIIZRK-QXAKKESOSA-N 436.390 4.881 30 10 IJEE CCCCCSc1nc2n(n1)[C@@H](c1ccc(OCC)c(OC)c1)C1=C(CCCC1=O)N2 20850858 FUXQTPPUIONRAQ-NRFANRHFSA-N 442.585 4.990 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3ccccc3F)c(OC)c2)c1 34954724 GGJHZSMQQLNFIS-FLIBITNWSA-N 436.435 4.967 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OCC)cc1 40095847 DHOSTCBCBSUTCH-MWTRTKDXSA-N 435.520 4.787 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)c1OC 41355839 LBIGMDGCGNPRNX-HMAPJEAMSA-N 430.456 4.777 30 10 IJEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccccc2OC)C3)C1=O 41586963 LUPLACSPLZXWSD-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE CCn1c2ccccc2c2cc([C@H]3C(C(=O)OC)=C(N)OC4=C3C(=O)CC(C)(C)C4)ccc21 58949712 RNDWRKIFOIVGGD-JOCHJYFZSA-N 444.531 4.915 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sc(Cc2ccc(F)cc2)nc1C 62887582 MSEUFZNSRVMQRY-UHFFFAOYSA-N 425.485 4.918 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Oc2cccc(OC)c2)nc1 63401657 SXHBFOOUMYUPOM-UHFFFAOYSA-N 448.479 4.689 30 10 IJEE COc1ccc2c(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c(C#N)cnc2c1 64473650 UWLYWCHSCXVDAW-UHFFFAOYSA-N 434.927 4.932 30 10 IJEE O=C1/C(=C/c2ccc(Br)cc2)CNC/C1=C\c1ccc(Br)cc1 84688256 TUNPEUPTLJNANJ-KAVGSWPWSA-N 433.143 4.851 30 10 IJEE COc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3cc(Cl)cc(Cl)c3)S2)c1 100372894 ZBZONPDIOQYHDE-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(OCc2cccc3ccccc23)cc1 104401063 UFGCTMJRHAWPPK-QRSGQMCASA-N 448.522 4.806 30 10 IJEE CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 111275731 OBCWFDNHJFCPBY-MYXKAAJQSA-N 442.515 4.882 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 164196922 UYJXREQZBFGFHF-RIYZIHGNSA-N 431.488 4.926 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169959675 CGIJYGQTTUENTI-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)cc1 169991033 RRKBATCLVBEPCQ-HSZRJFAPSA-N 439.471 4.677 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2cccnc2)cc1 170000692 LPRWRTVISLFOOS-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(F)cc2)cc1C 170062523 CJMAESUPSVRPNX-HSZRJFAPSA-N 445.446 4.954 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccn1 170181994 CYEPHSXDLIIHCY-GOSISDBHSA-N 447.318 4.918 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)cc1C 170184290 IFXDMNGVAUXNQW-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)c1 170198097 HANWBNPJOGMXGH-NRFANRHFSA-N 434.517 4.710 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1 170204145 AYFMWTLFNZXMKP-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccncc1 170211488 KMRVVLCZFYWLRI-QHCPKHFHSA-N 449.595 4.608 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(OCCC)cc1 170215459 MZXRJXQGLWSOTB-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(C(C)C)cc1 170244340 MEHPYVOGCDKQHU-NRFANRHFSA-N 443.927 4.697 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1cn(C)c2ccccc12 170269276 AMPRGHLYTSLVKE-HSZRJFAPSA-N 432.520 4.955 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)cc1C 170274527 HAQFPJOIFZTBAB-XMMPIXPASA-N 442.515 4.876 30 10 IJEE COc1ccc(N=C2S/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)N2C)cc1 252620161 LYMITISHXLHCNP-GXTKKWAKSA-N 434.477 4.628 30 10 IJEE C=CCCCCCCNS(=O)(=O)c1cc(Br)ccc1Br 312774573 MFQJEMMHHOSZAS-UHFFFAOYSA-N 425.186 4.626 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1C#N 440131356 ZVWYELPSEIGAOY-GOSISDBHSA-N 445.878 4.832 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)c1c(F)cccc1I 471781523 QDPMDPNYVHSPHZ-LLVKDONJSA-N 440.281 4.934 30 10 IJEE Cc1ccc(Cn2nc(C)c(CCC(=O)Nc3nc4c(cc3C#N)CCCC4)c2C)cc1 484161742 OJSXKTCOEHLAPE-UHFFFAOYSA-N 427.552 4.573 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(CC(=O)OC)cc1 502654668 XCEXSKCIZWEDLP-UHFFFAOYSA-N 435.293 4.524 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 508861146 BHWVMEXMVBCCPZ-NRFANRHFSA-N 442.922 4.819 30 10 IJEE Cc1occc1C(=O)NC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 520601390 PXGKDGRWOMKAHK-UHFFFAOYSA-N 444.491 4.678 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 525594044 DPCMOPGXDLOABG-INIZCTEOSA-N 434.467 4.868 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1cccc(F)c1 526830569 NWPSGSUFIKDMGD-QRVIBDJDSA-N 430.505 4.704 30 10 IJEE N#CCCCOc1cccnc1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 540061154 XFKWGRJANKHSJD-UHFFFAOYSA-N 430.386 4.506 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2ccnn2C)CC1 549665880 ZXUCMBMFAXXKHQ-HXUWFJFHSA-N 434.588 4.729 30 10 IJEE N#Cc1ccc(CN(CCC2=CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586177697 IBNHLFRXBRAFGB-UHFFFAOYSA-N 425.510 4.548 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 669811239 NSGJLENBOOAFND-OAQYLSRUSA-N 449.603 4.525 30 10 IJEE C=CCOc1c(Br)cc(CNc2cn(C)nc2-c2ccccn2)cc1OCC 680135007 IGZFXLCLWWULEZ-UHFFFAOYSA-N 443.345 4.820 30 10 IJEE C=CC[C@H]1CCCCN(C(=O)c2cc(Br)ccc2I)C1 703669514 GASLIAIJGBKKKU-LBPRGKRZSA-N 448.142 4.872 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 729562736 BYARLTVNZANNOY-WIYYLYMNSA-N 429.561 4.895 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1)c1ccncc1 734681783 ZDSSMPRNNWCCCC-PCCBWWKXSA-N 428.577 4.520 30 10 IJEE C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 755602477 MUXNQPWGNOFTKM-DPCFLFMUSA-N 431.420 4.660 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCCN1C(=O)OC(C)(C)C 790548682 PWTLWQFSQJWUGZ-DEOSSOPVSA-N 439.512 4.816 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 798816378 KTXYHRMIYLTETG-IFXJQAMLSA-N 443.341 4.689 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@H](C)c1ccccc1F 812178504 GSKKKKUIEKFPFU-GOSISDBHSA-N 437.519 4.617 30 10 IJEE CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccccc2C)[n+]2cc(O)ccc2C)C=C1 920484566 ZNRQNNDVEUOGCB-UHFFFAOYSA-O 449.552 4.881 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1ccccc1 1125203073 TZBTYNJXZDGVRJ-WWCBRRATSA-N 439.581 4.578 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CCCN1C(=O)OC(C)(C)C 1126105352 ZGSFJGGZSIBKEU-BXKMTCNYSA-N 432.561 4.535 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 1128433554 MGMFNFGQHSRXNI-IBGZPJMESA-N 442.364 4.559 30 10 IJEE C=CCOc1ccc(CNC(=O)c2scc(Br)c2Br)cc1 1128765478 PZGNRCJPTWHLHL-UHFFFAOYSA-N 431.149 4.768 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCc1ccc(OC)c(OC)c1 1129590257 AQCUEPRPVOZCIE-UHFFFAOYSA-N 434.330 4.993 30 10 IJEE CSc1ncc(C(=O)Nc2cccc(C#N)c2Br)n1-c1ccc(F)cc1 1130067998 DDVYEHQKVHOTAR-UHFFFAOYSA-N 431.290 4.620 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC[C@H](c3ccccc3OC)CC2)CCCN1C(=O)OC(C)(C)C 1132918840 WWZPHMMWRSENPH-FNZWTVRRSA-N 440.584 4.584 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2NC(=O)c2cccs2)CN(C(=O)OC(C)(C)C)C1 1136565499 WUXLZOWEMBOYDE-UHFFFAOYSA-N 441.553 4.752 30 10 IJEE O=C(c1ccc(Nc2nccs2)cc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 1136761261 HAGHSMKPIDJLTL-UHFFFAOYSA-N 427.345 4.983 30 10 IJEE C[C@@H](C#N)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1136816439 GGKPLWMEYYCPDU-BVZFJXPGSA-N 439.515 4.542 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3nc4ccccc4n3CCC(C)C)ccc2c1=O 1148765992 GTTFJIYFHNTHSR-UHFFFAOYSA-N 447.564 4.519 30 10 IJEE CCS[C@H]1CCCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 1190933503 GEBBTBSIBYMEAO-NRFANRHFSA-N 442.604 4.710 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Br)ccc1OCCC 1191264940 JKRHCIZOCZMPIO-GOSISDBHSA-N 438.387 4.704 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1 1192139558 GHJLVVOUGCCCCJ-XMMPIXPASA-N 432.564 4.843 30 10 IJEE C=CCCC(C)(C)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 1193385925 HNFMAPLTDXQLOR-UHFFFAOYSA-N 439.213 4.791 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c1 1199786924 KDOMQGOAYYLLRH-MHECFPHRSA-N 429.561 4.943 30 10 IJEE Cc1cccc([C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)(C)C)c1 1208473378 HMTHRQYUWJVUSB-GOSISDBHSA-N 439.350 4.834 30 10 IJEE CCCc1c(NC(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)cnn1-c1cccc(C#N)c1 1209316796 AXWRHQRUIDEKDJ-UHFFFAOYSA-N 442.523 4.713 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)c2)cc1 1215210487 BDLUBSLKXYVAHK-QGZVFWFLSA-N 448.429 4.556 30 10 IJEE C[C@@H]1CN(c2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cn2)C[C@@H](C)O1 1217246732 FAOOMCLDRVOWTE-IAGOWNOFSA-N 447.564 4.617 30 10 IJEE N#C[C@@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CCN1Cc1ccccc1 1224564161 HYLYCWGYZHIEKD-HSZRJFAPSA-N 436.987 4.571 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1226507214 MJIVFKDQXLIODI-UHFFFAOYSA-N 430.504 4.608 30 10 IJEE C=C(C)[C@@H](NC(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1)c1ccc(F)c(F)c1 1226646798 HZJKYNJRYAGFTP-YADARESESA-N 443.538 4.515 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C)c1ccc(Cl)cc1F 1229619331 FPVSKAKKRNUZDX-GOTSBHOMSA-N 429.967 4.954 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1256625457 FIUWUQMGJMUOFI-UHFFFAOYSA-N 437.975 4.820 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1264361758 QYUKEJSKJUXERU-AWEZNQCLSA-N 434.945 4.537 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1286318815 WGEFCHAZPWGIKP-DNQXCXABSA-N 449.643 4.903 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)c1nc(C)cs1 1286365749 INQCIEVVPGAQLU-LSDHHAIUSA-N 425.627 4.769 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1cc(Br)ccc1OC 1286516656 JUHGTIXYVKTVFW-QVKFZJNVSA-N 431.378 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCCc1ccc(OC)cc1 1286557078 SYESOKBOGLMLCU-UPVQGACJSA-N 438.616 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(CC)C1 1286559215 VEQFVSAVLXEJDX-OWSXEPHWSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](SC)C(C)(C)C 1286578363 HQKHCAHSBBGWNY-SFHVURJKSA-N 440.617 4.774 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286590204 WRHKLBQCQFTYJI-QGZVFWFLSA-N 435.538 4.892 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1286599555 APYPCXILHOFQIE-HSALFYBXSA-N 449.640 4.514 30 10 IJEE C=C(Cl)Cn1c(C(C)C)nnc1N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 1286619690 CDHYEFWVALCAEW-UHFFFAOYSA-N 426.895 4.933 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2nccs2)CC1 1286651866 NPOYGVWUDKDKMO-INIZCTEOSA-N 427.549 4.659 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCc1csc(C)n1)C1CC1 1286733545 FCEHSUXGTZFSAV-UHFFFAOYSA-N 431.512 4.709 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H](CC)N1CCCC1 1286746742 FBDKVNAYTWMUKJ-QFIPXVFZSA-N 448.590 4.855 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1OC 1286763049 BHXPZROGVRZLIC-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1286833401 BRJNZSFJYGLTOE-MRXNPFEDSA-N 429.540 4.659 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(CCC)C[C@@H]1COc2ccccc2O1 1290950852 PUWUMPBWLJNPKZ-QGZVFWFLSA-N 435.442 4.962 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC[C@@H]1CCCCO1 1291664521 DHWJSWBSRIBSKE-VJBMBRPKSA-N 437.588 4.590 30 10 IJEE C=CC[C@H]1N(C(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCCC1(C)C 1297187091 WIOSQJXDWRIAQN-OAQYLSRUSA-N 439.625 4.783 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21 1297703773 WZJFKVRLPJLDSG-HXUWFJFHSA-N 437.565 4.997 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CC[C@@H](C)O1 1299073882 OSCHJWREMPUTDW-WYEJZRMESA-N 448.563 4.544 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1300423417 OXCBRQQRTHBKJO-ZWKOTPCHSA-N 431.005 4.500 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@H]1C(C)C 1300648912 QQIONCBBMDKQOP-OFNKIYASSA-N 435.547 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)C1CCC1 1300875714 NZKPYJXUJRJKFS-XXBNENTESA-N 440.588 4.712 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCOC(C)(C)C 1300879937 GEGCFYKOEUMZDK-FXAWDEMLSA-N 432.996 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1300893306 YKLSQIQIHSTZPN-SLSDLSHTSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1300918144 UCTTYJNBLNQASG-QFIPXVFZSA-N 437.563 4.841 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(Br)s1 1300991349 RDRVRZLGKSXGLM-UHFFFAOYSA-N 441.439 4.920 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H](c1cccs1)N1CCCC1 1301310064 WFHRTUOMJHASAQ-IBGZPJMESA-N 441.576 4.517 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CCc1csc(C(C)C)n1)C1CC1 1301330695 SESYBZIXRYCPPD-UHFFFAOYSA-N 425.577 4.985 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1301347034 NBQXXTLFDGZCCT-UHFFFAOYSA-N 449.599 4.915 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2cccs2)C1 1301558118 ZIQJYUWRRQIIKG-LJQANCHMSA-N 428.989 4.608 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](c1cccs1)N1CCCC1 1304524385 HJSYFCDDSWSCCM-WIYYLYMNSA-N 434.613 4.748 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 1309057570 FZTQRNUBSKGWDA-FQEVSTJZSA-N 445.313 4.528 30 10 IJEE C=C(CC)CNC(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 1310182495 YTPIXADTVBXMJW-UHFFFAOYSA-N 449.292 4.631 30 10 IJEE CCCc1c(NC(=O)NCCc2cc(Cl)ccc2OC)cnn1-c1cccc(C#N)c1 1310576121 DSIWRKVUZKALEM-UHFFFAOYSA-N 437.931 4.723 30 10 IJEE Cc1c(C#N)c(NC(=O)CCNC(=O)c2ccc3ccccc3c2)n(-c2ccccc2)c1C 1353427952 HBRCEEDSPFCHAS-UHFFFAOYSA-N 436.515 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CCOCC)CCCC1 1358884469 QAVUYGMASHDMQT-OAQYLSRUSA-N 446.599 4.576 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1Cc1ccnc(OC2CCCCC2)c1 1358893411 UFRJUMIBGUJXIM-LJQANCHMSA-N 447.558 4.621 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1358917167 IRZUNXOUDMQAKX-RTWAWAEBSA-N 425.646 4.601 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1C(F)(F)C12CCC2 1358952342 HMNBJLUJEGJKMU-HXUWFJFHSA-N 428.527 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC=CO1 1359066935 VHXAJOWYGLHESD-XMSQKQJNSA-N 441.373 4.701 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1359131148 JFIHDMQVILVMQU-UHFFFAOYSA-N 447.583 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC(F)(F)C(F)F)CC1 1359163044 OXLMCMZFAJQDFQ-UHFFFAOYSA-N 449.452 4.567 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1359203905 YGNPYSTYZYKAHL-JOCHJYFZSA-N 444.023 4.852 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1359255806 LLEYGNGJSUGWGS-LADGPHEKSA-N 446.624 4.795 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CC(C)(C)OC(C)(C)C2)nnc1C(C)(C)C)C(C)C 1359265591 INTKCUBLJNGOGK-HXUWFJFHSA-N 431.669 4.668 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nnc(C(C)(C)C)s1 1359269791 PSSXRJITKGPPIU-UHFFFAOYSA-N 447.612 4.813 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCCC1(C)C 1359270086 AYYTWPXPZGTXMM-VWLOTQADSA-N 433.556 4.720 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@H](SC)C(C)(C)C 1359276980 YNBAQNQTSHXUSW-FQEVSTJZSA-N 425.602 4.946 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)Cc2c(C)noc2C)cc1 1359308001 ABMPTDCWJLZXMB-UHFFFAOYSA-N 449.580 4.785 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(CC)s2)C1 1359326279 WNOHXZFHBZEBAN-HXUWFJFHSA-N 438.597 4.619 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1359340056 ZIQLFEDCEOAVEY-UYAOXDASSA-N 442.629 4.898 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccccc1 1435195321 LTVMSDZMGSLZRC-JWQCQUIFSA-N 433.596 4.931 30 10 IJEE CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(Cl)cc1Cl 1436647790 CUKYVCBXMBCBBU-BFHYXJOUSA-N 447.384 4.699 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)OCC)cc1Cl)c1ccc(Br)cc1 1436651585 QRFOVAQMOZTLCB-KRWDZBQOSA-N 435.705 4.775 30 10 IJEE Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CCc1c(C)nc(O)c(C#N)c1C 1438353797 UFKQDEWZKGYVSU-FQEVSTJZSA-N 442.357 4.643 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccco1 1440381072 GIKJQJPQCAABHJ-VWLOTQADSA-N 444.531 4.812 30 10 IJEE C=CCc1cc(C(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC 1441447325 PCYJTWDEISHSML-WOJBJXKFSA-N 436.596 4.840 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1442754320 LIRVNPHFSWGMKZ-UHFFFAOYSA-N 440.543 4.782 30 10 IJEE C#CCOc1ccc(COC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)cc1 1458827601 VTXIKQRDRQAYES-SFHVURJKSA-N 435.549 4.764 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@]2(C)CC2(C)C)c1 1462528388 HYIPIHTYDQEYRP-QHCPKHFHSA-N 447.000 4.887 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)cc1 1463923298 PDCJISRAYBGTOJ-UHFFFAOYSA-N 444.413 4.736 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1 1465628558 NWDUSLKGBSARHI-UHFFFAOYSA-N 449.551 4.916 30 10 IJEE CC(C)(NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1cccc(Cl)c1F 1469863038 AKZYPYVGBNTMLI-UHFFFAOYSA-N 430.911 4.670 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1470074411 JWOQJMBTKXRRHK-AUSIDOKSSA-N 426.582 4.969 30 10 IJEE C#CCC[C@@H](O)CNC(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1477111462 MUIMNLSARXGHRB-GOSISDBHSA-N 437.378 4.694 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1CCN(c2ccncc2)CC1 1495100009 GYTSMKFDVSENIL-HXUWFJFHSA-N 443.599 4.611 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCSC1 1507520455 ZUJRHMVBLITYAC-GHTZIAJQSA-N 433.625 4.954 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCC1(F)F 1507643420 MIYIGMJDXVUUPC-QGZVFWFLSA-N 447.327 4.606 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(COC)cc1 1507819137 OGYOUKHCEDANQI-UHFFFAOYSA-N 444.377 4.633 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(OCC)cc1 1507822523 CALUACGGTIPJIQ-UHFFFAOYSA-N 430.350 4.647 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(CC(C)C)c2C)CC1 1507888773 POVYKQVRDPNQFF-UHFFFAOYSA-N 448.615 4.840 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1507902564 FJYXDELVYMOHDG-HKUYNNGSSA-N 430.980 4.695 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(C#N)C1 1507958894 JUWGFHLINSCPBX-XMMPIXPASA-N 439.629 4.998 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CCc1cc(Br)ccc1F 1507983920 WEDJTUYAPRHAQK-UHFFFAOYSA-N 435.366 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1CCCCC1 1508007541 DQIMTTQQEPQUOG-FQEVSTJZSA-N 443.661 4.691 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)C(C)C 1508010751 DLEOJULMOXPCKV-DHIUTWEWSA-N 444.023 4.516 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2ccco2)cc1 1508106309 VUXBSVUSVOGYOE-IBGZPJMESA-N 429.524 4.667 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)c2C#N)C1 1523678268 DEMOGCDIPNHZLE-CQSZACIVSA-N 430.957 4.986 30 10 IJEE Cc1cc2c(cc1Br)N(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C[C@H](C)O2 1532132387 ANBCCQMQZBTAPF-AWEZNQCLSA-N 429.314 4.601 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(C(F)(F)F)cc1 1534432942 FNIVPPJSRURVIN-QGZVFWFLSA-N 436.386 4.822 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(Oc3ccnc(C(=O)OC)c3)cc2)cc(OC)c1OC 1534992928 NKNXQXSXVQHZCE-UHFFFAOYSA-N 448.475 4.659 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1536549606 HUMMLNJZLDINAB-SGTLLEGYSA-N 433.733 4.935 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccccc1 1537431227 ZKHYFSGVTNVPPZ-SANMLTNESA-N 425.528 4.805 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(Br)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1538618160 DLSWORIOMIFELC-HXUWFJFHSA-N 444.369 4.869 30 10 IJEE C=CCN(C(=O)CCc1ccc(F)c2c1CCCC2)[C@@H](Cc1ccccc1)C(=O)OCC 1538619254 YBKRQCUBVIWOCW-VWLOTQADSA-N 437.555 4.826 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CC1CCN(Cc2cccs2)CC1 1538995242 KSTQTLPLIOQYPU-GOSISDBHSA-N 437.588 4.516 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1CCCC[C@H]1C 1539035096 MDKJWACAZYSALR-NHCUHLMSSA-N 425.646 4.601 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1539053299 OSZYKZVGFSDUQR-NNMXDRDESA-N 442.991 4.880 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1539093598 AQPWYSFKMYROQA-GOSISDBHSA-N 428.552 4.755 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1539786768 ZZKHXAYOTDFJRY-WBMJQRKESA-N 433.170 4.766 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN(C)C2CCCCC2)CC1 1539855628 AELJRFZNJHVBRE-UHFFFAOYSA-N 448.615 4.540 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1539891659 IKKRYNUMVVSIPG-XUZZJYLKSA-N 426.580 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccccc1F)C1CC1 1539900280 JUFQUURSBUZDJX-UHFFFAOYSA-N 448.546 4.836 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1539959909 RDOOKKOAYPTXBB-IBGZPJMESA-N 440.592 4.532 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(N2CCCCC2)c1 1540058444 VSPWDEZPFLKIIR-UHFFFAOYSA-N 440.954 4.793 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1540174849 RQRKOABPAASRDO-UHFFFAOYSA-N 432.597 4.959 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)c2cccs2)C1 1540893797 KBWJSUSHYKDUCB-LJQANCHMSA-N 440.588 4.829 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(Cn3cncn3)cc2)cc1OCC 1560380792 DUAFFZYEXJDZIG-UHFFFAOYSA-N 443.345 4.665 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc(C)c1Cl 1561209107 WVROWQGLOSUZDU-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cccc(-c2ccccc2)c1 1561471305 VATZHESMVTWFSW-VWLOTQADSA-N 449.572 4.705 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(OC)c2)c1 1562074400 AEUMHVANLLSZLN-QFIPXVFZSA-N 435.524 4.502 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1 1562953062 APRMTDTUPRIITH-RBUKOAKNSA-N 440.956 4.638 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 1563443017 FXMNJUKRJOGUOU-SANMLTNESA-N 432.612 4.649 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@H]1c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1564406253 CBNOLQNBHFSECN-LEWJYISDSA-N 445.485 4.904 30 10 IJEE C#CCN(CC1CC1)C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1565400068 FWMPMOPYXCWXPW-UHFFFAOYSA-N 444.432 4.714 30 10 IJEE C=CCn1c(SCC(=O)NCc2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 1586858504 CMLGBUJBSVJRIO-UHFFFAOYSA-N 426.973 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H]1CCCCO1 1587567906 LKQSHNRTXCOMJB-CVDCTZTESA-N 431.584 4.770 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1587575651 ZJOGXHJZXBDFMS-QFBILLFUSA-N 445.995 4.606 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOC)CCCCC1 1587603146 HBHWWTJWMKLCDT-HXUWFJFHSA-N 431.584 4.938 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1587645532 KFPYLJONPBNDNU-CSODHUTKSA-N 444.570 4.835 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1587711607 BYGKKBOVNBMWBU-GCJKJVERSA-N 436.581 4.785 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@H](C)C1 1587793739 SDOBLGWZBDGSAX-GOSISDBHSA-N 432.037 4.558 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](COCc2ccccc2)C1 1589496603 YRAPDWSVCKNBDE-BUZMGHMJSA-N 438.616 4.816 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C#N)CC1 1593703681 MNMDVIOTKWGYFC-UHFFFAOYSA-N 444.583 4.685 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1594065125 ZISUULAHDZLKEJ-UHFFFAOYSA-N 442.947 4.916 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1594202693 SNBRQKPEZXKHIX-DYESRHJHSA-N 448.409 4.786 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1594408773 OEQOSJQGFIXXMR-QFIPXVFZSA-N 426.605 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CO)CC1 1594461514 SWBDBNUNEFYBHT-UHFFFAOYSA-N 439.423 4.580 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](Oc2ccccc2)C1 1594651562 MWZQSARBQKLMKB-QHCPKHFHSA-N 434.588 4.544 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@H]1CCCN(CC(C)C)C1 1595094658 VXRJDGDTUWZNBP-HSZRJFAPSA-N 432.616 4.588 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(F)F)cc1 1595162165 YAGUKERWEAXNFF-KRWDZBQOSA-N 446.523 4.686 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CC1CCN(C2CC2)CC1 1595239592 NWYOJOMYGJNCKY-UHFFFAOYSA-N 435.660 4.976 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1595343259 ISQMPHUIVAVMIV-PBHICJAKSA-N 442.188 4.914 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 1595475406 BQYHRRVNSJMWSR-NVXWUHKLSA-N 433.936 4.570 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(I)c(Cl)c1)c1ccc(Cl)cc1F 1597004238 ZZLLMTAYKMSQGQ-OAHLLOKOSA-N 448.062 4.841 30 10 IJEE C=CCC[C@@H](NC(=O)/C=C/C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(C(F)(F)F)cc1 1597058227 ODKGIQVWIYPLAM-TZZQJPOUSA-N 442.441 4.900 30 10 IJEE C=CC(C)(C)CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1611186577 OQLLZWRRBLPBMQ-KRWDZBQOSA-N 435.406 4.718 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)CN2CCCCC2)c2ccccc2n1 1611933481 GHWYZLJCMSAFJA-PZJWPPBQSA-N 445.615 4.662 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CCC1 1620227048 BOUUETQRTZUEON-LJQANCHMSA-N 439.629 4.887 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 1620990893 IFTQZLHXSJCVNX-GOSISDBHSA-N 429.904 4.773 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 1622858069 HREQQFHFRZSPFL-GGAORHGYSA-N 439.437 4.914 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 1624366927 XYIFUHQHWATFRO-ZEQRLZLVSA-N 432.564 4.662 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc2c(Br)ccnc12)C(C)C 1624862949 QWEWANBVZPMIEZ-IBGZPJMESA-N 431.378 4.817 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)cc1 1625162178 DREFHSBSPYGRFE-UHFFFAOYSA-N 442.559 4.722 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1)c1ccccc1 1626480714 UMRJVIOIIXNOLQ-UEVCKROQSA-N 442.600 4.657 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 1635535808 CYYHRWCBYQBCMB-OAQYLSRUSA-N 436.600 4.554 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1636571816 VJSZLYAUPZNOST-BAPHQFHRSA-N 449.954 4.629 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327753 TZJNOQRJQZMBKC-HXUWFJFHSA-N 442.600 4.747 30 10 IJEE CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)c1ncc(Br)cc1C#N 1639676463 FFQKNCRSESQSJB-UHFFFAOYSA-N 442.144 4.878 30 10 IJEE C/C(=C\C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccccc1C(F)(F)F 1639699047 UZQYYCVROBNMOM-NTCAYCPXSA-N 433.861 4.983 30 10 IJEE C=CCn1c(SCc2cc(C#N)ccc2OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640556688 YEQFEIWYDIDWJQ-AWEZNQCLSA-N 437.590 4.941 30 10 IJEE C#CCN(C(=O)COc1ccccc1-c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788421 SMEVQAGDYPUOMI-UHFFFAOYSA-N 448.563 4.594 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 1657596109 GFZRZKVVHCXICO-LEWJYISDSA-N 429.568 4.695 30 10 IJEE COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Oc3ccccc3)c(C#N)c1)CC2 1661010595 ICPJLAHWRRUUHI-UHFFFAOYSA-N 429.476 4.958 30 10 IJEE N#CC1(c2ccccn2)CCN(Cc2cc(Br)ccc2Br)CC1 1664459818 BQGBHHGWITZTRY-UHFFFAOYSA-N 435.163 4.664 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1 1666638477 DUVHNUKZDFRYFU-GOSISDBHSA-N 436.556 4.991 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)cc1 1667629253 PWAKSMONMFCOIM-VWLOTQADSA-N 432.495 4.630 30 10 IJEE CC1(C)Cc2c(Br)cccc2[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N 1667979559 GCFUWEHZJXGNRX-SFHVURJKSA-N 432.293 4.936 30 10 IJEE C#CCN(C(=O)Nc1cnc(Cl)c(C)c1)[C@H]1CCOc2ccc(Br)cc21 1669964107 ANJJVWGKOSSKPC-INIZCTEOSA-N 434.721 4.797 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)s2)CC1 1669984423 QHRRDLMKMZOLAH-UHFFFAOYSA-N 449.498 4.622 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CC(c2ccc(C)cc2)=NO1 1670844718 BDBXQXCZCYMDGX-QGZVFWFLSA-N 444.329 4.637 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc(-c2ccccc2)no1 1670845364 OGEPENOKZOLKGU-UHFFFAOYSA-N 428.286 4.991 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 1671354028 OVBQYQXEYDXXGQ-HOCLYGCPSA-N 436.375 4.517 30 10 IJEE C=C(CC)CNC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I 1673614814 KUGKSRPBNJBOBH-GOSISDBHSA-N 438.284 4.785 30 10 IJEE COc1cc(NC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c(F)cc1C#N 1673761838 DIQDOQHUVIHQEY-HXUWFJFHSA-N 437.450 4.994 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2nc3ccc(I)cc3s2)c1 1676661646 LIXSEZASSSXYHL-UHFFFAOYSA-N 433.274 4.551 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ncc(Cc3ccccc3F)s2)cc(OC)c1OC 1677312540 NSJHYWSJOZPDAP-UHFFFAOYSA-N 441.528 4.940 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C(F)(F)F)cc1 1679306247 WBWNYXJMRLQBJB-VQTJNVASSA-N 449.521 4.723 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)C(C)C 1681567448 FSTFDNHEFRWPHI-OAQYLSRUSA-N 430.662 4.610 30 10 IJEE C#CCN1CCC(NC(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 1684302056 XSAFFYDNUBHBTQ-JOCHJYFZSA-N 448.369 4.813 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1689892971 QXIROVKJXGRHBN-WOJBJXKFSA-N 445.652 4.800 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1689895505 WFARQUHQGRUXMX-UHFFFAOYSA-N 426.580 4.970 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1689901079 AQJBLYBQZKZONL-HSZRJFAPSA-N 446.599 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1690193565 MSTPBKDPFJEFPW-UVPKRVSESA-N 440.563 4.755 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CCC(F)(F)F 1690251044 OPQCJLMJJNEKMH-YLJYHZDGSA-N 438.494 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(Cc2cccs2)C[C@H]2CCCO2)nnc1C(C)(C)C 1690253472 QZGCMSGMARUVTJ-SBHAEUEKSA-N 444.645 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCO[C@H](C)C1 1690271395 NVVIGXRGZJQIGV-MOPGFXCFSA-N 430.618 4.797 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(N(C)C)CCCC2)CC1 1690399141 OMGOBFGCNZQDSY-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 1690492513 XGKRHQKFTDEGFA-UHFFFAOYSA-N 429.996 4.541 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C)C(C)(C)C1 1690499805 AQWPMNUQNUAIME-IBGZPJMESA-N 434.588 4.800 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCSC2(CCCCC2)C1 1690500003 IPNJFJUPFRQNDU-UHFFFAOYSA-N 442.629 4.803 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC[C@@H](O)C1 1690519712 UYIFFCZNAJVWBC-QFBILLFUSA-N 426.561 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCOC[C@@H]1C 1690576011 KKIWXSDNLNREKR-FUHWJXTLSA-N 444.004 4.920 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1OC 1690578405 WTAHYAGZUYLKPB-HXUWFJFHSA-N 438.597 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C(F)(F)C12CCC2 1690585014 AQIBRHZKGDSQEW-HNNXBMFYSA-N 438.320 4.650 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1Cc1ccnc(OC(F)F)c1 1690602867 ZUAARKIEMJNMSB-UHFFFAOYSA-N 441.526 4.855 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1690749349 ABRQAQVCIXZKHZ-UHFFFAOYSA-N 439.673 4.873 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccccc1 1692658653 BFNLLSBHBMHUBA-IQGLISFBSA-N 449.624 4.922 30 10 IJEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2c(C)noc2C)C1 1694865210 BBOXUNATMUBDSB-YLJYHZDGSA-N 448.571 4.764 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H](c1ccsc1)N(CC)CC 1705496206 BIYUEBNCSMQWFG-OFNKIYASSA-N 435.641 4.780 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCCN1CCCC 1705503427 WOLPNEQGBUNTND-GOTSBHOMSA-N 437.632 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705670359 QVGUIGOREVKWRT-LIXHSBQKSA-N 436.600 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1 1705705412 HJWODWQPNGZZET-NYDSKATKSA-N 437.613 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1705718968 GLHRDPIDEPOEOV-HXUWFJFHSA-N 433.641 4.963 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1snnc1C 1705719880 OFGMXSXLZDPMHB-UHFFFAOYSA-N 440.617 4.900 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705792998 JBAYTXPDBGNYBX-QHCPKHFHSA-N 447.631 4.829 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(NC(C)=O)CC1 1705800868 MCNOUOOHULGOTM-KRWDZBQOSA-N 441.645 4.593 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccccn2)CC1 1705814181 GEEBHRAZVSBBCK-UHFFFAOYSA-N 430.600 4.930 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@H](C)c1ccccc1 1705847637 ZMWFKDFFYBINEZ-CEMLEFRQSA-N 426.605 4.987 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1)C(C)C 1705867439 NOVWBYXJXVMXAJ-URXFXBBRSA-N 432.616 4.752 30 10 IJEE C=CCOc1ccccc1Cn1c(C)nnc1N(C)Cc1cc(Br)cs1 1705912729 RVGCGIHJWMUUCX-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(OC(F)(F)F)cc2)C1 1705914377 ABPZDFXSQLVZCG-LPHOPBHVSA-N 438.494 4.714 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCOC)Cc1ccco1 1709240538 FHEAXUXUYFKMAO-UNMCSNQZSA-N 433.556 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OC)c1ccccc1 1722279059 GIZQRIMRCOOPLR-BBTUJRGHSA-N 434.609 4.977 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)c1ncc(C)s1 1722391886 XUZSWGUTKSGDHL-DENIHFKCSA-N 431.609 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCCN1CCCC1 1722501527 HIKMUYPFUJVJLE-UHFFFAOYSA-N 438.439 4.657 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1722505340 JYUVTVPZUWKPCK-IFMALSPDSA-N 439.560 4.850 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(OCCC)nc2)CC1 1722568635 UPYCUEMRGTUWKM-UHFFFAOYSA-N 447.583 4.862 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C1CC1)N(C)C 1722636735 NYISQQFTXXUTHC-LJQANCHMSA-N 425.577 4.775 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1cc(Cl)ccc1OC 1722676408 ZHAYKAUMJBYISP-UHFFFAOYSA-N 429.977 4.523 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@H]2CCCN(C(C)C)C2)o1 1724296020 GHMBUYZJRHVYDJ-NRFANRHFSA-N 426.609 4.733 30 10 IJEE CCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C)s2)CCCC1 1728826826 CCFCILUXEYBXJQ-UHFFFAOYSA-N 436.585 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCCC[C@@H]1C 1740539359 OSNQRDNGEIYWJQ-UFYCRDLUSA-N 439.673 4.854 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)cc1 1740763502 LUWMOBIQYBWODM-SIKLNZKXSA-N 426.561 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N1CCC[C@@H](C)C1 1740775283 UGOTWRCPAWPUIF-MOPGFXCFSA-N 431.575 4.670 30 10 IJEE C=C(C)COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(F)(F)C1 1740787136 BBUHAFWYIRLCIC-UHFFFAOYSA-N 445.539 4.815 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1740853904 JMYGFCDTGCTKGD-TZIWHRDSSA-N 435.597 4.595 30 10 IJEE C=CCCCCn1c(N2CCC([C@H]3CC3(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740867007 VDCIRRSMCGRURY-DENIHFKCSA-N 438.563 4.547 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cc(C)on1 1740869839 BAZQOYDARINYSO-UHFFFAOYSA-N 446.349 4.615 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)N(C)c1ccccc1 1740923667 RJJIWLQEMAJXLL-PMACEKPBSA-N 437.613 4.561 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(C)C)C1 1740970632 AQGSTLANHZJORS-QFIPXVFZSA-N 448.615 4.625 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1748736018 KQOFIKXGSGCPMC-RUZDIDTESA-N 444.627 4.963 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@](C)(OC)CC1 1748743764 KQVZRGGVYRGBMU-NRFANRHFSA-N 431.378 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C1CC(C(C)(C)C)C1 1748868768 HXYCFVNXQQIUEZ-UHFFFAOYSA-N 426.568 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CN(C)CCCC)CC1 1749131732 VBVLZHBZIONOQA-VWNXMTODSA-N 445.696 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCOC[C@@H]1OC 1749147041 WYCLOHONIVVELY-IRLDBZIGSA-N 426.605 4.697 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749293556 BNHMKPQGOREULI-KDURUIRLSA-N 429.012 4.518 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCSC2(C)C)CC1 1749334700 LDEHNFMDNGOWFU-GOSISDBHSA-N 442.629 4.896 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1749384401 AZHYWOLRZPNVBL-JOCHJYFZSA-N 437.632 4.722 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CCC)C1)c1ccccc1 1749384621 FBQVOKDWPBMECP-BJKOFHAPSA-N 448.615 4.505 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1749421364 QXXYUOUETDOZTF-IBGZPJMESA-N 442.361 4.580 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCCS1 1749499854 QAAKAYUKMDYHQT-KRWDZBQOSA-N 437.407 4.528 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CC[C@@](C)(CC)O1 1749528512 SNSCEDBMNPVWEU-ZEQKJWHPSA-N 447.583 4.889 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CCCC(F)(F)F 1749530289 YADDKVWQEOWNSG-SFHVURJKSA-N 438.494 4.716 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCCCC1 1749561866 ZKLUUAHLPNYCEU-UHFFFAOYSA-N 430.600 4.856 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1749586928 AOFMZRDOQQPGDE-ZEQKJWHPSA-N 445.567 4.993 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749591018 LRBRMUXDZAXGOU-NLFFAJNJSA-N 425.621 4.884 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1c(C)noc1C 1749686332 AJOWGUHYZYLORJ-UHFFFAOYSA-N 433.512 4.701 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCSCC)C1 1749698619 UZDSCERCPFEGCC-IBGZPJMESA-N 437.613 4.726 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CC[C@@H](C)C2)C1 1749719271 RMEFSJCQQCBKOF-HSALFYBXSA-N 442.629 4.797 30 10 IJEE C[C@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1 1751156405 BJDFBAPWMMTAIX-HXUWFJFHSA-N 448.640 4.679 30 10 IJEE C[C@H]1CCCC[C@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1752113814 BLCGNEHHVKIJJA-GHTZIAJQSA-N 439.629 4.744 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1760134612 STUROJOSMOLMHY-UHFFFAOYSA-N 435.616 4.532 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1760156351 DGWPEZXDDNBWLB-WIOPSUGQSA-N 433.644 4.914 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCCO1 1760341089 ZCDZWSJDSTYVQR-IBGZPJMESA-N 449.393 4.591 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C)(C#N)CC1 1760352476 XVWBOHMJZXMOQK-GOSISDBHSA-N 439.629 4.854 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1760382717 WWFYEEMZEOVFCW-MAUKXSAKSA-N 438.906 4.652 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)cc1 1760487031 HRYGKOOPPIAUQV-GOSISDBHSA-N 428.989 4.932 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1760496531 XYBUFIFJJGEATC-UHFFFAOYSA-N 428.024 4.965 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1(OC)CCCCC1 1772522884 DGNYEHJSEOXMDP-HSZRJFAPSA-N 442.991 4.949 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCNC(C)=O)CC1 1772554701 HIVKBNTZJWAUFS-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE COc1cc(/C=N/NC(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1 1860499635 QEHZUHURMVZSAQ-CVKSISIWSA-N 439.968 4.926 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1cc(Cl)ccc1OC 1861542678 UIALSYJMGRPKMA-GOSISDBHSA-N 429.026 4.677 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 1862111406 BFVRKXGRQAGJMK-OAQYLSRUSA-N 426.944 4.556 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)cc1 1862383458 OTSUXCWMZWDPMS-GOSISDBHSA-N 448.302 4.767 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)ccc1O 1862437352 PFDQYDKELVCNDZ-NRFANRHFSA-N 441.911 4.965 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc1OC 1862439258 KFWIYFNIUDCHFO-FQEVSTJZSA-N 429.900 4.734 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862504179 NTDVUTALHIGPTM-QHCPKHFHSA-N 449.526 4.536 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1c(F)cccc1Cl 1862504940 GYXOUIBASFGJLY-FQEVSTJZSA-N 449.881 4.932 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862534639 UMIGUEZSOJJQRY-OAQYLSRUSA-N 448.500 4.997 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2cccc(O)c2)cc1 1862686905 FIBDSOLXUJANQG-QHCPKHFHSA-N 433.504 4.870 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Br)cc3)C(=O)N(c3ccccc3)C2=O)c1 1862819237 DNAMILJEHOKHCF-UHFFFAOYSA-N 444.288 4.717 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862952906 BXCLFRHCVNKGJX-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)c1 1863144266 CMWZOAVWNUZTOP-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCN(CC)CC)C1=O 1863619281 KQVGGAVUAQALBA-UHFFFAOYSA-N 427.633 4.757 30 10 IJEE CCCC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867322128 XRFLLHQSURSFTR-WOJBJXKFSA-N 432.351 4.972 30 10 IJEE Cc1c(OC(=O)CNC(=O)c2ccccc2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871366557 GJFXMZLOWVIYJM-BKUYFWCQSA-N 447.874 4.600 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3C2=O)cc1 1871379787 VTZOJCVQFJDIRU-FMCGGJTJSA-N 440.407 4.637 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(C)c1)C2=O 1871392504 ACZHCCZAUKIWFN-JCMHNJIXSA-N 437.536 4.790 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872029528 BGCLTHLOPJUFGL-JOCHJYFZSA-N 444.597 4.605 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCCC 1872155176 GUNMRZRTBFKPBN-HSZRJFAPSA-N 449.661 4.792 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872295539 RYLYXMUKMXUWAV-REWPJTCUSA-N 449.661 4.504 30 10 IJEE Cc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873295329 IGHRAPSHVLOXAL-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc2n1Cc1ccccc1 1873555373 VRSNDKYYPWKKJE-SFTDATJTSA-N 443.595 4.776 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc2n1CC 1873570673 DBLCHZOIGOBEFR-WOJBJXKFSA-N 443.636 4.935 30 10 IJEE Cc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccc(C#N)cc3)CS[C@@H]2c2ccccc2)cc1 1873867778 XRYWRMKRHNJBPH-RCZVLFRGSA-N 427.529 4.762 30 10 IJEE OCCSc1nnc(-c2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 1874425028 NTHMQWVDPADNML-HZHRSRAPSA-N 436.562 4.552 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 1874425404 HIXRJFRNYZKYQN-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE C=CCSc1nnc(-c2ccccc2)n1/N=C/c1cc(Br)cc(OC)c1O 1874429024 MWXMYZMVRLRVPF-CIAFOILYSA-N 445.342 4.582 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1 1874461490 PSEUOSQMSHHBAR-AUEPDCJTSA-N 435.431 4.996 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2)c1 1874483593 COPHXXRWNVIVSF-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCc2ccccc2Cl)cc(Cl)c1OC 1874566021 GQZYCNILJXRIDM-SSDVNMTOSA-N 437.352 4.558 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc(Cl)c1O 1874567404 WCYLFCSRYOFXPX-FOKLQQMPSA-N 432.977 4.576 30 10 IJEE CCCNC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(OC)ccc1OC 1874581038 SXXOUPMLVVZKON-VAWYXSNFSA-N 433.504 4.658 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1F 1926714014 ZCKNNRPPTKBQQY-SJLPKXTDSA-N 427.358 4.854 30 10 IJEE C#CCCCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2005491707 KRETVRLUPQYNDW-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)ccc(Cl)c1F 2041205404 QNOQMGZITQWDPX-CZUORRHYSA-N 433.749 4.809 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2cc(Cl)ccc2Br)C1 2063046854 YBQSOTOLYGWSIK-MRXNPFEDSA-N 430.770 4.867 30 10 IJEE CCCc1ccc([C@@H](C2CC2)n2nc(CC)c(C=NO)c2I)cc1 2080036934 XREMLVRMHCKCOC-SFHVURJKSA-N 437.325 4.810 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1F 2080128146 ZAQZIHZOAJGBLR-OAHLLOKOSA-N 432.240 4.929 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2089291832 MYDOVBMGHMVFPM-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c2nsnc12 2137379120 YPFACNIJIKRNMR-KBPBESRZSA-N 441.395 4.574 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c2nsnc12 2137388855 CRIDPRFSNCQNPH-KGLIPLIRSA-N 441.395 4.574 30 10 IJEE Cc1c(Cl)cc(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)cc1Br 2167377105 MWSAKBQPOLVJAB-CHWSQXEVSA-N 440.574 4.575 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1sc(NC(=O)OC(C)(C)C)nc1C 2227474143 QNTXZYHIERBEJZ-HNNXBMFYSA-N 436.375 4.873 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2ccccc2Br)CC12CCCC2 2235740135 MUXJLVNFDQOHBH-HKUYNNGSSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2235748826 DBQGHOMEUXBKTH-RBUKOAKNSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 2278817761 JMABCLXMFAMTMF-SJLPKXTDSA-N 435.387 4.716 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2c(Br)cccc2C#N)(C(F)(F)F)C1 2285225560 BFNSQUXCCAHPCT-QGZVFWFLSA-N 448.283 4.922 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2285619627 KWDHJTILKBAMJF-JENIJYKNSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2285619629 KWDHJTILKBAMJF-YQVWRLOYSA-N 435.406 4.814 30 10 IJEE C[C@@H]1CC[C@@](O)(C(=O)C#Cc2cccc(Br)c2)[C@@H](OCc2ccccc2)C1 2296219614 QBBLITIJZZXCBE-MQNAVGNWSA-N 427.338 4.506 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2296287075 SDQYOIBWCBMDSD-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CCN=C1S[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1 2297451699 RJDQGDMFGQZOSN-INIZCTEOSA-N 428.385 4.975 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2305397533 NQVIITVKOXUPGT-UHFFFAOYSA-N 428.573 4.699 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2320965874 HBGUUWQABXENGW-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)NC2CCCCC2)cc1 2322565248 MYQFEAMCADUQJD-UHFFFAOYSA-N 437.536 4.818 30 10 IJEE CCN(CC)C(=O)COc1ccccc1C=CC(=O)c1cc(OC)c(Cl)cc1OC 2322867252 ZLPNGYDMGDMIIQ-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)COc4ccccc4OC)c3C)C2=O)cc1 2323118101 MENIFLWLBOHFGW-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2325234972 KRLQRCXURFQPFB-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCN(CC)c1ccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2F)c(C)c1 2325702444 ZRRZLJQOJMGOHR-UHFFFAOYSA-N 433.321 4.964 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3c(OC)cccc3OC)c2)c1 2325706363 QWOIJJVSSTVIKC-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325808529 WFBLZASRWUDCBA-JOCHJYFZSA-N 430.589 4.638 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(C(F)(F)F)c1 2326811172 OTZINBYQTPEWRY-UHFFFAOYSA-N 435.431 4.942 30 10 IJEE Cc1ccc(C=CC(=O)Nc2ccc(CC(=O)Nc3ccccc3C#N)cc2[N+](=O)[O-])cc1 2327300222 QXIOCHCCVNIPBX-UHFFFAOYSA-N 440.459 4.608 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2327674474 VABHYIYHTOSIFH-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc(Br)c1 2328710494 SFCJZAPEZDICLW-UHFFFAOYSA-N 431.359 4.656 30 10 IJEE Cc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 2330631865 PXVWGPRIPCZCMY-UHFFFAOYSA-N 446.415 4.856 30 10 IJEE CC[C@H](NCC[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512624 PCBCDWRXMOYEFP-RXVVDRJESA-N 446.441 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339534272 DAJJDIPPNQENHQ-IBGZPJMESA-N 443.397 4.928 30 10 IJEE C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339537528 RFYNBQOGUGIWEV-NRFANRHFSA-N 433.405 4.685 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585395 OQYCTPPLGSQZAO-CYYVBXFOSA-N 444.381 4.608 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339586316 CXGHLHJDDNNYDE-LJQANCHMSA-N 443.397 4.610 30 10 IJEE C=C[C@@](C)(CNC1CCC1)Cc1ccc(I)c(Br)c1 2349921422 SSRVDQJILWQEMS-MRXNPFEDSA-N 434.159 4.931 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@@H](O)C#Cc3ccccc3Br)CCC[C@H]21 2358761600 SRVFAHBZLWRRJW-CUDHKJQZSA-N 434.374 4.587 30 10 IJEE CC#CCN(C[C@H](NCCC)c1cc(Br)nn1C(C)C)C(=O)OC(C)(C)C 2363130027 PMWMBLBLTUYCNB-INIZCTEOSA-N 441.414 4.528 30 10 IJEE Cc1nc(-c2cccs2)sc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 26845374 HRBXLTYVYWHGKX-LLVKDONJSA-N 443.575 4.786 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1 33591972 NCCUZFUJHDRSIW-UHFFFAOYSA-N 434.511 4.893 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CC=C)cc1OC 39912155 RGXXDWBMYLGCJY-XMMPIXPASA-N 445.519 4.704 30 10 IJEE CCOc1cc2c(cc1/C=C\C(=O)c1ccc(N3CCN(CC)CC3)c(F)c1)O[C@H](C)C2 96765559 FKROZMXGMYUWPP-YPLUBFQTSA-N 438.543 4.586 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccc(O)cc1 169959953 OOMFWVHLGSYQOD-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1 169963878 DNALQCCQECAXLT-QHCPKHFHSA-N 435.426 4.772 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccs2)c1 169983929 IDRLPXWYFICIEY-IBGZPJMESA-N 427.428 4.818 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccccc2)cc1 170056095 NRBUIHRXQHZKQC-JOCHJYFZSA-N 439.471 4.663 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C(C)C)cc2)c1 170067495 RVHDYJZZWOQUNR-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103222 WMYSOXSOWHNBKO-OAQYLSRUSA-N 439.427 4.993 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)cc1 170130345 JJISPVNLTMEHCB-NRFANRHFSA-N 435.501 4.631 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)c1 170205407 KXQGBSLHYUHQEE-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccncc1 170207945 LOPBOFQGZLFQFL-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)cc1Cl 170259173 CYFMTXXJJBQWAF-NRFANRHFSA-N 435.863 4.837 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC)c1 170324337 MFCGHRNDZCEEJN-NRFANRHFSA-N 441.911 4.902 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC(C)C)c2)cc1 170348317 MCBBPLARRFHSTK-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE CCCCCOC(=O)CSc1nnc(N/N=C(\c2ccccc2)c2cccs2)[nH]1 253571788 PKBXCQHONMCJNO-RELWKKBWSA-N 429.571 4.556 30 10 IJEE COc1ccccc1OCCOc1ccccc1C=NNC(=S)Nc1ccccc1C 254488328 FTUIBOSILLGMFQ-UHFFFAOYSA-N 435.549 4.782 30 10 IJEE N#CC1CCC(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)CC1 440646283 KPFVVPRDVVZUQK-UHFFFAOYSA-N 447.608 4.932 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 508359615 HKJZYXAGLQZKKT-FGLRIPBYSA-N 433.955 4.613 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2cnn(CC)c2)CC1 508874505 QUSRGGTVWAUGSE-HXUWFJFHSA-N 434.588 4.821 30 10 IJEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 526520029 DKNGVWOGMROFKW-JOCHJYFZSA-N 427.416 4.538 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 526807388 YVRRDYCKMYEJLF-UUYOSTAYSA-N 445.932 4.975 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1/N=C\c1ccc(OC)c(OC)c1 526816832 DNLAPPAVUSZYAX-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE Cc1cc(C#N)nc(Sc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)n1 553263534 GLRYUXRCYPEVHU-UHFFFAOYSA-N 428.521 4.584 30 10 IJEE Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCc1ccc(C#N)cc1F 609229303 DHCGQWZAKGEMLP-UHFFFAOYSA-N 431.298 4.666 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCCCO2)c1C 619863314 RXKKRWQLPYAZQK-NHCUHLMSSA-N 437.588 4.734 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](Oc2cccc(F)c2)C1 670208113 BLPJARVRJBNAND-SGNDLWITSA-N 448.542 4.896 30 10 IJEE COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(C3CCC3)C2=O)cc1Cl 730459012 DVMQGGKFZLHFOA-IBGZPJMESA-N 443.956 4.861 30 10 IJEE N#Cc1ccsc1NC(=O)COC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730645315 JLHABANAMJDQEM-IBGZPJMESA-N 444.871 4.714 30 10 IJEE COc1cccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2Cl)c1 735665931 KQENEQCBTZRAGO-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 742215409 WYQJFIYEEAENHX-OAQYLSRUSA-N 437.540 4.816 30 10 IJEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 746147419 UTXYHXIORKRMLZ-QZQOTICOSA-N 430.291 4.515 30 10 IJEE CC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nnc2n1CCCCC2 749573119 GUMCDWWDJRMRAJ-IBGZPJMESA-N 434.569 4.555 30 10 IJEE C=CCCOCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C 756867380 GSJMYXOIHFSSGS-NRFANRHFSA-N 437.565 4.548 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2CCC(OC3CCC(C)CC3)CC2)c1=S 764987853 IAWXAYIDEBYGJL-UHFFFAOYSA-N 427.618 4.679 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 781861822 HOSHDJZQPQJKHF-IEBWSBKVSA-N 430.298 4.588 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 784613708 CZUOIIOFXPZDRE-IEUDEEBGSA-N 435.511 4.510 30 10 IJEE CCc1c(NC(=O)NCc2ccc(OC)c(C#N)c2)cnn1-c1ccc(C(F)(F)F)cc1 792455979 FBSMHSHQZQPYLJ-UHFFFAOYSA-N 443.429 4.655 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C)C[C@@H]1c1ccccc1F 809926636 NWITVFHTDITHLM-XMSQKQJNSA-N 449.530 4.617 30 10 IJEE CC(=O)Oc1c(I)cc(Cc2ccc(Cl)c(Cl)c2)cc1C#N 953069143 PUBKIKOHUWIUHZ-UHFFFAOYSA-N 446.071 4.986 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1 1083893699 RLNBUZFIQSCJHF-ZXPANVQOSA-N 426.933 4.608 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3)n2)cc1Cl 1084127819 CUNVKYWGISSPGS-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE Cc1ccc(NC(=S)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1F 1084350339 PCGYTPVOXYBGKL-UHFFFAOYSA-N 436.487 4.511 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)c21 1126933888 RRRDVJYTOCUNNE-UHFFFAOYSA-N 429.442 4.588 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1127457779 FNMVCUQYKIQHKX-MRXNPFEDSA-N 427.439 4.617 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nc(Br)ccc1Br)c1ccc(F)c(F)c1 1128142462 WGDUJTFYADKFPX-CQSZACIVSA-N 446.089 4.932 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1134002885 FNTOSZDMLREYMX-NRFANRHFSA-N 439.478 4.503 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)c1 1136768420 BTKRXGKLHBCYHA-NRFANRHFSA-N 434.492 4.519 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 1137860943 UPHFFNHNULBERE-HTAPYJJXSA-N 425.573 4.699 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)s1 1141433168 BFIAFIUFZXHYEX-UHFFFAOYSA-N 445.013 4.814 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)s1 1153375349 XDQPZTQEDKTGHD-OAQYLSRUSA-N 446.638 4.632 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@@H]1C 1157137986 VQRXMMNVVTUNAW-BJQRDSPESA-N 438.955 4.951 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2[nH]cc(I)c2c1 1161580344 JSQIUXYXVBGLHV-INIZCTEOSA-N 430.289 4.690 30 10 IJEE C=C(C)CONC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1164454395 DXDKNWZYLUIKKA-RUZDIDTESA-N 442.515 4.890 30 10 IJEE N#CCCN(CCN1CCOCC1)Cc1ccc(Oc2cccc(Cl)c2Cl)cc1 1167557937 AIHXIRNNEQZQLM-UHFFFAOYSA-N 434.367 4.834 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1CC(=O)OC(C)(C)C 1171734269 DKXNMNUYKQHQCW-QZTJIDSGSA-N 431.602 4.606 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(c3ccc(Cl)cc3Cl)CC2)c1C 1171846703 CVMZBYHQNGOXGS-UHFFFAOYSA-N 445.394 4.679 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F 1190189175 RXCPDMXAYLSRGZ-QFIPXVFZSA-N 429.900 4.711 30 10 IJEE C=CCN(C(=O)CN(C)c1cc(C)[nH]n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1197136195 XJDRWTFAXMURQT-UHFFFAOYSA-N 436.368 4.804 30 10 IJEE C=C(Br)CN1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1198880838 BPXBTSTWRNSFQV-UHFFFAOYSA-N 437.378 4.559 30 10 IJEE C=C(C)c1cccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1210299247 CLOKYAPFIAQTRJ-NVXWUHKLSA-N 427.467 4.887 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1)c1ccccc1 1214849269 NEAZBKIIRSYBJW-IBGZPJMESA-N 444.491 4.844 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1 1219084633 TYCBCGZJCKYXAG-HNNXBMFYSA-N 447.329 4.657 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 1219191129 HMCQXDOYIFDCDQ-UHFFFAOYSA-N 429.590 4.968 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CCCc2ccccc21 1220478440 ZDFAETAXFZDCQO-IZZNHLLZSA-N 431.580 4.555 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)c(F)c1 1220602932 FEIJNBJNLNVSEL-YADHBBJMSA-N 449.929 4.608 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1234183648 MPTZZBMVZRUVEC-XUTJKUGGSA-N 431.577 4.789 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccc(C)cc3)cn2)ccc1OC 1265125097 GGMICIYUCCXNSK-LJQANCHMSA-N 431.492 4.802 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)C(C)(C)C)cc1 1269611224 FCNIVBWUGDBQAG-UHFFFAOYSA-N 446.473 4.993 30 10 IJEE C#C[C@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1ccc(Br)cc1 1275462962 HEOZDVSUARKJIJ-KRWDZBQOSA-N 429.314 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(=C)Br 1286302387 SYVYNAJEBZEESI-KRWDZBQOSA-N 431.378 4.655 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1ncc(CC)s1 1286458177 LXKDJBBGGXLVRL-UHFFFAOYSA-N 425.577 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCc1csc(C(C)(C)C)n1 1286519788 KYTQDFPLNDAPFJ-RUZDIDTESA-N 449.624 4.943 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ncc(CC)s2)CC1 1286637481 FWMCPHVWGPJRGY-MRXNPFEDSA-N 427.549 4.781 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 1286681396 MVFLGVVYZXNLCP-HXUWFJFHSA-N 446.517 4.938 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccco1)N(CC)CC 1286722374 VQPAMVHSAORUKR-JOCHJYFZSA-N 432.572 4.735 30 10 IJEE C=CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@@](=O)C(C)(C)C)C1CC1 1286733843 KGGJRJRYTDWSDG-WJOKGBTCSA-N 437.613 4.504 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCC[C@@H]1C 1286748200 SXDZQFJGUSAPAO-SBUREZEXSA-N 426.561 4.889 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1 1286749378 QIALTKYUXJLICG-NRFANRHFSA-N 443.661 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1 1286749619 BBEMIIPZMGQSIM-FQEVSTJZSA-N 425.627 4.804 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1286752651 CMPSOZYKLAOXRB-NRFANRHFSA-N 435.616 4.680 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](C(F)F)C2)cc1 1286795089 WDDFVTIXCYLYML-LJQANCHMSA-N 439.510 4.743 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)CC[C@@H]1C 1286798327 GSGUMANIIFMNDT-MSOLQXFVSA-N 437.613 4.872 30 10 IJEE C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)Sc1ccccc1 1288641872 HMEAQMQJMCDPNX-WIYYLYMNSA-N 425.602 4.831 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccsc2Br)[C@@H]1C 1291154871 HIRNUSWTUUDEST-ZIAGYGMSSA-N 442.386 4.924 30 10 IJEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)SC)C[C@H]1C 1295974999 AJXWPQJXRIMOMZ-RTBURBONSA-N 440.661 4.657 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCc2ccccc21 1300476880 VWPJAKWIZGPMPO-IRLDBZIGSA-N 449.599 4.540 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)[C@@H](C)CC 1300563930 PXCSHHLFHNGOEF-UQBPGWFLSA-N 438.641 4.536 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1300763892 UDWFHKUHPWDSHG-UHFFFAOYSA-N 440.657 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CCC)CCC1 1300916200 UOLNBSPONNSIGE-UHFFFAOYSA-N 437.636 4.825 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2occc2C)CC1 1301075279 BDAAEPFDXGTSEH-UHFFFAOYSA-N 431.309 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301143635 MDJHAYGADMWOCN-HIFRSBDPSA-N 443.901 4.752 30 10 IJEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccs1)Cc1cccs1 1301216194 DXSVNAPVVUXVPM-GOSISDBHSA-N 427.599 4.525 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)c1cccs1 1301379580 OYWOWFGUTMIMTI-DEOSSOPVSA-N 431.565 4.641 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CC(C)(C)N1CCC[C@H](C)C1 1301402136 JYPLVUMFMSYQKL-FQEVSTJZSA-N 427.637 4.914 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1301469642 DIMKKMIKRUUEGZ-HXUWFJFHSA-N 444.023 4.789 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccc2c(n1)CCCC2 1303635704 CPLWCVXTQBKWOP-HXUWFJFHSA-N 428.584 4.514 30 10 IJEE C[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(F)(F)F)cs1 1305052730 FWESFVWEOXKOSW-ZDUSSCGKSA-N 432.475 4.523 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 1309384487 HFAYGXZDQAZMHD-QUCCMNQESA-N 433.371 4.559 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C)c1ccc(F)c(F)c1 1312536729 QRJRXFQWBBTTEQ-VQTJNVASSA-N 437.531 4.869 30 10 IJEE C=C(C)Cn1c(-c2ccco2)nnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 1341817521 HSIQVDVMHIYQEM-KRWDZBQOSA-N 434.475 4.687 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(I)c(Cl)c1 1350249663 FNTFXVLBCSCYDP-UHFFFAOYSA-N 428.653 4.901 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)ccc1Br 1355411144 DPHUNPJFGXSORJ-UHFFFAOYSA-N 438.281 4.834 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)c1 1357823536 NXMNRWLSYHCDQX-UHFFFAOYSA-N 428.557 4.941 30 10 IJEE CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1=O 1358011056 CBPDCXLBHGKYDQ-IBGZPJMESA-N 441.487 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1CC(C)(C)C1 1358896503 FXEGAVDFBFWFLF-OAHLLOKOSA-N 431.378 4.514 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1358922138 URZZQZJZVGTYQG-UHFFFAOYSA-N 426.008 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(CC)C1 1359093698 QWSUVICQVZYKND-WSUBETFTSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1F 1359097832 UORKXUROAIOQMR-YYDVJCTNSA-N 435.547 4.966 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1359151868 FEYDGCGMNPOQNA-LJQANCHMSA-N 434.415 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359175923 FZNJXRWXSDOXPO-OPVJXMOQSA-N 440.588 4.568 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccccc1 1359194338 TZZPOWPKKXOUFL-GGAORHGYSA-N 431.584 4.870 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC)[C@H](C)C1 1359198066 HJSYVZMSSZMLCA-IFMALSPDSA-N 425.621 4.922 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCN1CC)C1CC1 1359247252 XENCRAOWMHBJLN-HXUWFJFHSA-N 444.421 4.737 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 1441881581 FOOXIOBXIMHWCO-KRWDZBQOSA-N 429.483 4.960 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(CN3CCCCCC3)CC2)s1 1443384388 GDEIVZRMINDYSX-UHFFFAOYSA-N 442.094 4.953 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCCn1cccc1)c1ccc2c(c1)OCCO2 1443635825 PMISDGFWKDEVMV-UHFFFAOYSA-N 432.520 4.838 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C\C(=O)OC)cc2)nnc1-c1cccc(C)c1 1458777133 RUSDXSVJUGZVFF-RAXLEYEMSA-N 435.549 4.797 30 10 IJEE C#CCN(Cc1nc2cc(Cl)ccc2n1C)[C@H]1CCOc2ccc(Br)cc21 1459508997 IIXSMRYCJPMKSX-SFHVURJKSA-N 444.760 4.948 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)c1ccccc1 1461150219 UIJCQGJSFYXOPZ-QFIPXVFZSA-N 442.519 4.656 30 10 IJEE COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cccc(OCc3ccccc3C#N)c1)CC2 1462563490 AZJLJYXLGSTDST-GOSISDBHSA-N 442.515 4.914 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)[C@H](C#N)C1 1465696352 DLHOKCZIFADERX-QGZVFWFLSA-N 443.588 4.572 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)c(Cl)c(C(=O)OC)c1)c1ccc(Br)cc1 1467501246 JVLSSKZGGBOAEP-OAHLLOKOSA-N 439.668 4.524 30 10 IJEE C=CCSc1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 1471918371 PWQDFELTFZSDQA-HZPDHXFCSA-N 444.519 4.882 30 10 IJEE C=CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1cccc(OC)c1 1472999077 CARJTSNMRGEZEB-UHFFFAOYSA-N 429.929 4.857 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(Cn3cccn3)cc2)cc1OC 1473909375 YYRWXDNKZHXLPX-UHFFFAOYSA-N 442.357 4.557 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 1475823757 GUFMOXMPYVOPDF-NHCUHLMSSA-N 438.503 4.612 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 1476729409 UNEAJLDYLSXXSA-DOTOQJQBSA-N 435.318 4.727 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1c(F)cccc1F 1477533425 ZVSSWAIXEQOGGU-UHFFFAOYSA-N 427.264 4.807 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1478806660 LXJXHXHCPXWIMS-SSXICUSMSA-N 427.589 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1507519409 ZXZWEGGCISYFJZ-DLBZAZTESA-N 439.560 4.570 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCN1CCCCC1 1507609438 VWCAOALSKYCZLZ-UHFFFAOYSA-N 437.588 4.758 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCN1C1CCCCC1 1507643501 WEESJWIKJLVJOQ-IZZNHLLZSA-N 443.639 4.690 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](CCC)OC 1507762616 WVNLUBFQIGOTKE-PGRDOPGGSA-N 445.405 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1sccc1C 1507772720 UBXNNDFJERHYDP-DRMXPCRNSA-N 426.630 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCOC1 1507813837 BMDLBHGOCHMFNQ-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=C(Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1507850596 OYTNDXFLHRXSPM-JOCHJYFZSA-N 449.382 4.543 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nc(C)cs1 1507929287 PLTQPWGMMWHCOJ-UHFFFAOYSA-N 449.584 4.590 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507944020 LLCHMRWCXRESFI-GOSISDBHSA-N 431.968 4.668 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1507949081 XZYMOFSJULUKDH-JTHBVZDNSA-N 429.653 4.619 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C 1507953579 KTXBHOSPPMXYOP-BZSNNMDCSA-N 435.638 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507971961 DORAWTIVYYFNEK-JYJNAYRXSA-N 431.378 4.775 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(N(C)C)CCSC1)C1CC1 1507989378 ZOGAWMOXJAHQLW-RUZDIDTESA-N 439.673 4.835 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@H](CC)NC(=O)OC(C)(C)C)C1CC1 1507990135 MDJYHECYDAMAFF-SFHVURJKSA-N 425.577 4.712 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1CC1(SC)CCOCC1 1507996883 LIYFIJHHROGNKQ-LJQANCHMSA-N 439.629 4.768 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CCCCC1 1507998414 AHXRKLXKHFLLAG-SANMLTNESA-N 444.583 4.669 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OC)C(C)(C)C 1508038586 UOUCKTNMJKEGMT-LAUBAEHRSA-N 446.661 4.831 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCC1(F)F 1508040231 UWYSTNHAGMZOEP-MRXNPFEDSA-N 440.485 4.611 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCCCC2)C1 1508159624 WIEXMSCBPRXHMQ-SFHVURJKSA-N 432.037 4.582 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C(=O)c1cccc(C)c1)c1ccc2c(c1)OCCO2 1522212987 VIRATFLDZRECJM-UHFFFAOYSA-N 443.499 4.747 30 10 IJEE CC[C@H]1[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C(=O)OC(C)(C)C 1524259619 BKESEGQKHRGSBV-OALUTQOASA-N 440.569 4.580 30 10 IJEE C=CCC[C@H](NC(=O)Cn1ncc(Br)c1C)c1ccc(C(F)(F)F)cc1 1526560126 HBGUKYGQTNNKGG-INIZCTEOSA-N 430.268 4.797 30 10 IJEE C#CCOc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)c1 1529313945 XXGLAMUXZLSHTN-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)C1 1529683201 AKVXKRYZQTZIMM-FZBZCGEPSA-N 444.575 4.750 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1ccc(C(N)=O)o1)c1ccc(C)c(C)c1 1531214825 ZLIUWZUCUQFLPG-WYMLVPIESA-N 430.504 4.807 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1ccccc1 1533767252 ZTKGFTYRNOMJBZ-LEWJYISDSA-N 446.638 4.671 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2occc2C)ccc1Cl 1534325093 RXUUVGAIWNQKGI-UHFFFAOYSA-N 445.924 4.980 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C(C)C)C1 1539055780 HOSDPULPXNBXKA-HXUWFJFHSA-N 433.021 4.988 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCC(C)(C)C)CC1 1539103805 YSZAZAKZOUGFPR-UHFFFAOYSA-N 431.987 4.709 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1539154591 LGJIWEXMICKXGQ-BGYRXZFFSA-N 439.673 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(C)C)CC1 1539624858 WRUHLNBIGZLOIR-XMSQKQJNSA-N 444.023 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCC1(F)F 1539666419 ZNGZXKSIEWUNRX-INIZCTEOSA-N 442.514 4.822 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1539794177 UIAMFDPLHWUXCZ-HXUWFJFHSA-N 440.979 4.667 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1539877776 FAQQLROBTPDJGD-JTHBVZDNSA-N 438.616 4.697 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCS1 1539945370 NNWXNXSOZNTTAI-GHTZIAJQSA-N 428.602 4.869 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCSC1 1540185088 LVXGJIRLIBZCEF-IBGZPJMESA-N 438.597 4.925 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(=C)C 1540185958 XWLBGBIDHABPEP-WMZHIEFXSA-N 436.531 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccnc(Oc3ccccc3F)c2)C1 1540883325 XWOVVFVUCSOXMW-LJQANCHMSA-N 437.519 4.558 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1542421620 NTSPOJFJNDWHKR-FQEVSTJZSA-N 436.512 4.934 30 10 IJEE C=CCOc1ccc(C(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)cc1OC 1558189485 LNBBDVNFBDVEFT-UHFFFAOYSA-N 430.476 4.676 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 1560036500 GDWBGWJLOPMRFT-MHZLTWQESA-N 429.608 4.619 30 10 IJEE C#CCN(Cc1ccc(-c2cnn(C)c2)cc1)[C@@H]1CCOc2ccc(Br)cc21 1560702547 VXJYZYHNJDOJJO-JOCHJYFZSA-N 436.353 4.809 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 1561183433 DPNCMVINNFPTMG-UHFFFAOYSA-N 436.508 4.653 30 10 IJEE C=CC(C)(C)CCCNS(=O)(=O)c1c(Br)cc(F)cc1Br 1561892998 FDUDTRAKZVVXIY-UHFFFAOYSA-N 443.176 4.621 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(CN(C)CC)c1 1562928657 QPOZKJQQEJDKCJ-UHFFFAOYSA-N 432.362 4.787 30 10 IJEE C#CC[C@H](NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1)c1ccccc1 1564384999 IPYLIQVXOMDDJE-QFIPXVFZSA-N 441.369 4.904 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1Cc1cccc(OC)c1)c1ccc(Br)cc1 1565000252 VNMPVIHGQIHKSX-FPOVZHCZSA-N 427.342 4.549 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl 1565063368 MFYBTUPHAOVDIC-JXFKEZNVSA-N 426.388 4.776 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O 1570555696 ALPAKGYTDMWFLK-GFCCVEGCSA-N 448.832 4.955 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccccc2)CC1 1593718312 UDJQQTBCJJFEIG-UHFFFAOYSA-N 437.975 4.970 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1594202230 IGAFMVBGAMEZMF-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](COCC)C1 1594692712 DKNIONQTFBBUGH-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1CC 1594792964 BZZVGXPVUDUMEZ-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC=CO1 1595261298 PUDWZQULXWBAMS-BHDDXSALSA-N 440.588 4.718 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS[C@@H](C)[C@H]2C)cc1 1595639925 OQVDFJCDOZJHOJ-MSOLQXFVSA-N 440.638 4.874 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CCC[C@H]1CCCCO1 1597724929 ADOYODWEXHEEHR-YPAWHYETSA-N 443.636 4.676 30 10 IJEE C=CC[C@]1(C(=O)N=[S@@](C)(=O)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1611350606 CSXSEJLKFLZQNB-NGOKVRLYSA-N 426.966 4.669 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)c3ncsc3Nc3cccnc3)c2)c1 1624646251 GTEPOZXBJZXEAF-UHFFFAOYSA-N 427.489 4.985 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)c(I)c1 1626342997 UPCGAENMARJFEZ-UHFFFAOYSA-N 441.696 4.782 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)nc1C 1627230242 MOVIBOXKACQDLA-VNQPRFMTSA-N 449.646 4.601 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1629652443 XIJDWOAPBFGEIN-MHECFPHRSA-N 447.551 4.701 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C)C(=O)OCC 1635697888 FTXAXIWMDFLQEO-QHCPKHFHSA-N 431.536 4.784 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(c3ccnc4ccccc34)CC2)CCCN1C(=O)OC(C)(C)C 1635958709 GOWHXNKVKAHBBZ-MHZLTWQESA-N 447.579 4.734 30 10 IJEE C=CC1(CC(=O)N2CCCN(c3cccc(Cl)c3C)CC2)CN(C(=O)OC(C)(C)C)C1 1640554379 HBTXHVOSBUYTOE-UHFFFAOYSA-N 448.007 4.500 30 10 IJEE C=CCn1c(SCOC(=O)N2CCCC2)nc2sc(-c3ccccc3)cc2c1=O 1640813604 FCTRRLTZHAJGFW-UHFFFAOYSA-N 427.551 4.593 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1n[nH]c(C(C)C)c1Br 1642396487 DIVMJCXWGMSGJH-UHFFFAOYSA-N 443.139 4.875 30 10 IJEE CNC(=O)[C@H](Cc1ccccc1)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 1643717510 AWVVBUKGJRIAND-IBGZPJMESA-N 445.466 4.990 30 10 IJEE C=C(CSc1nc2ccccc2c(=O)n1-c1cc(C)c(Cl)cc1OC)C(=O)OCC 1651536482 PCXDFWUHVKPSCA-UHFFFAOYSA-N 444.940 4.568 30 10 IJEE Cc1ccc2sc(CN3CCN([C@@H](C#N)c4ccc(Br)cc4)CC3)nc2c1 1653176460 GJJVCHJLJZANTC-IBGZPJMESA-N 441.398 4.750 30 10 IJEE C#CCCOc1ccc(CN[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1657645512 WHJMGDYXMHBZTN-VWNXMTODSA-N 428.935 4.721 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)[C@H](OC3CCOCC3)c3ccccc3)cc2n1 1664850746 XWOPMFHQWFXQFL-UUOWRZLLSA-N 434.540 4.669 30 10 IJEE Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1665043705 AJWKUBZLHROXHK-UHFFFAOYSA-N 442.567 4.704 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OCCC)c(OCCC)cc1[N+](=O)[O-])c1ccc(F)cc1 1665044458 VIXRDIZYKNLMBG-QGZVFWFLSA-N 429.448 4.808 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 1665968795 GXGGJZWMZSJAOH-PXNSSMCTSA-N 447.988 4.604 30 10 IJEE CC1(C)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1Cc1ccccc1 1667010828 GUXFWLXEGLCFLM-UHFFFAOYSA-N 445.592 4.734 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cnn(-c2ccccc2Br)c1 1668084040 RRGSIQIHICHMNV-UHFFFAOYSA-N 425.330 4.897 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(OC)cc2I)CCCC1 1671049193 BYJJKQSJQFNODT-UHFFFAOYSA-N 428.314 4.948 30 10 IJEE C#C[C@@H](NC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)c1ccc(Cl)cc1F 1674036087 KLOCBESMLVKEGW-IRLDBZIGSA-N 435.326 4.898 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1678262671 IDQAULDKHHUOMD-FQEVSTJZSA-N 445.510 4.976 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1680738741 PPLFOHJPWABPGW-YHQLXQCYSA-N 435.971 4.964 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(Cl)cc1F 1682367710 QFZWBOTYHHAQDY-UZLBHIALSA-N 443.954 4.908 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 1682614069 XPVIVNQLNCOBAP-FGZHOGPDSA-N 427.589 4.825 30 10 IJEE C=C(CC)CNC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1683323436 QUSNWOUIUWKMSI-UHFFFAOYSA-N 433.552 4.853 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)C1CCCCC1 1689973988 YBNDSCFATLGOPU-AREMUKBSSA-N 438.616 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCCO1 1690240326 DVQKVBMOIXJGOU-GIVPXCGWSA-N 430.980 4.585 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1690406350 BZJUBUCCWVPLSG-UHFFFAOYSA-N 438.601 4.553 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2c(C)nn(Cc3ccccc3)c2C)CC1 1690412467 RVGCUVNXDNCJAE-UHFFFAOYSA-N 432.616 4.789 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)F)C1 1690437443 CWRXIPQSFAASLS-SFHVURJKSA-N 429.515 4.813 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690476855 RLVXUJJZGGSPIT-UHFFFAOYSA-N 444.942 4.953 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCc1sccc1C 1690607639 QWNKPCJREWSWGS-HXUWFJFHSA-N 426.586 4.960 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H]2C)CC1 1692369373 CINRLEBFIUXHNB-LEWJYISDSA-N 434.632 4.810 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCOC1 1692909686 AKLPJLYTVFNUKV-AEFFLSMTSA-N 436.585 4.542 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1705708513 CXBYEHFFGPXQRG-IPJJNNNSSA-N 446.542 4.628 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C)C1 1705710018 UPQRZAYSSLKIBC-PWHSHALESA-N 442.629 4.797 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C)(C#N)CC1 1705710736 ZLFVAQOLYWIMDT-ZJSXRUAMSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCc1csc(-c2ccccc2)n1 1705714400 PLHCHJBRZZZULB-UHFFFAOYSA-N 431.569 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1705714614 BCRWKSCQEOHHNQ-JTHBVZDNSA-N 434.588 4.557 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCCCCC[C@H]21 1705733107 ILQKDXAGRXLCPO-SIKLNZKXSA-N 440.588 4.714 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705737719 APFKYBBENYJSRN-UHFFFAOYSA-N 445.592 4.688 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC(OC2CCCC2)CC1 1705758738 BZAGBIGQWYTYBJ-UHFFFAOYSA-N 446.979 4.546 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCN(CCC)CC2)CC1 1705763302 SISGGKXUYTVBJK-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1705786460 ONFSCHNKEMLTQE-MHECFPHRSA-N 441.551 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1705871268 DFVZIIGCGDQPKZ-KDURUIRLSA-N 443.039 4.928 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CC1(N(C)C)CCCC1 1705879167 PAZHTRLHIXIKDJ-UHFFFAOYSA-N 433.600 4.956 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1Cc1cccc(C(F)(F)F)n1 1705880877 SQTRWVMCWJJJEI-UHFFFAOYSA-N 431.462 4.836 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cc(C)cs1 1705890003 QKSFNVRJZAJVEH-KRWDZBQOSA-N 431.606 4.585 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCc2ccc(Cl)nc2C1 1705913808 YQHGBDRUPVGTBF-UHFFFAOYSA-N 437.975 4.701 30 10 IJEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)CCO1 1708853053 AWJSZCJAQWBFNS-DEOSSOPVSA-N 435.597 4.861 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1ccc(C)s1 1722454306 BLQUQPJLFMMEHZ-UHFFFAOYSA-N 435.622 4.810 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722520390 LNYOPQKMIFCMAE-HXUWFJFHSA-N 425.577 4.529 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CC2CCN(Cc3cccs3)CC2)CC1 1722580187 AVFCERHIQYRILZ-UHFFFAOYSA-N 427.662 4.853 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(COCC(F)(F)F)c1)C1CC1 1722650073 MSOFWPQFTANRLZ-UHFFFAOYSA-N 431.462 4.555 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1Cc1ncn(-c2ccccc2)n1 1722661597 KZPQQJCRAQRING-SFHVURJKSA-N 433.585 4.675 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(Cl)c1C 1722665341 KEATXWYLFQEDAM-QHCPKHFHSA-N 430.980 4.507 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@](C)(O)CCC)C1 1722714240 IWAAQKRIDBKDRN-YADARESESA-N 444.645 4.608 30 10 IJEE CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1726788808 DPZDEUBZHQJJBM-UHFFFAOYSA-N 449.990 4.628 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)C1 1729263921 CZFGAWFOBCWPBL-MJGOQNOKSA-N 449.571 4.884 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CCCSC1 1740543534 QVPZPAGYEFNTTH-MOPGFXCFSA-N 442.629 4.734 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740553733 XQJNKMMFXFURCZ-NEWSRXKRSA-N 434.506 4.704 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1740587033 VZPIEJKSRQUXAF-OAQYLSRUSA-N 436.581 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC1(N(C)C)CCCCC1 1740648580 INSKSLMGOITLHI-XMMPIXPASA-N 431.628 4.547 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CC)s1 1740676670 KBVDAKLSEJLHFS-LJQANCHMSA-N 438.572 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(OCC(F)(F)F)cc1 1740732343 ZQMOIMBXKZXXGY-JOCHJYFZSA-N 434.506 4.848 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1740753543 LDNPPICYKXOWGO-YLJYHZDGSA-N 444.366 4.697 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCCOC(C)C)CC1 1740835135 NMQPWHZGXWIEOS-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CC(=O)N(C)C1CCCCC1 1740923478 MZIMZLMBSMKFMF-UHFFFAOYSA-N 427.618 4.591 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CC12CCOCC2 1740925819 NWQHGOXJVLJSSH-RTBURBONSA-N 426.536 4.552 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC(=O)Nc1ccccc1CC 1740944566 QWUMOASWTDFSGZ-KRWDZBQOSA-N 449.624 4.955 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)Cc1c(C)nn(C)c1C 1740944824 JVAZRQSTHXPFHS-UHFFFAOYSA-N 436.560 4.985 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2c(F)cccc2OC(F)F)o1 1742192025 HESGWEJPQRGSBZ-UHFFFAOYSA-N 445.445 4.765 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)n1 1742321726 GWPSJOOMROXXFP-WOJBJXKFSA-N 449.647 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CC=CCC1 1748647054 HSXMTTCWTUWKJX-INIZCTEOSA-N 425.989 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1749071575 JMNBNGNSYWZOSW-AWVRMFGXSA-N 447.671 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1749132082 YKPKVRINSRIRGH-HYBUGGRVSA-N 435.572 4.546 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(C)C)C1 1749135256 DAMJIFZQJALNRE-SLSDLSHTSA-N 438.616 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CSCCS1 1749147531 KRCBFASPMXVZNC-GOSISDBHSA-N 440.642 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccc(F)c(F)c1 1749149183 VEACQEQNVCCDBV-UHFFFAOYSA-N 433.890 4.753 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)nnc1C1(c2ccccc2)CCC1 1749207183 FQMNUASKTNKHNX-FGZHOGPDSA-N 449.643 4.845 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1749277817 LWZOEKVXUYLTOZ-HZPDHXFCSA-N 437.769 4.607 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)C1)c1ccccc1 1749385962 WLDIITZEYJJDJZ-HXUWFJFHSA-N 437.613 4.609 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1749404340 WRLLKYGGNFIBHO-JOCHJYFZSA-N 447.558 4.859 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1749456524 HJAIIWRUYYNEHT-NRFANRHFSA-N 430.980 4.760 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCCCC1 1749539122 UHANIDUTYLUNRB-UPVQGACJSA-N 437.632 4.834 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCC[C@H]2C)C1 1749699145 ZVOMAVDZVJKEJZ-MDPIYQRISA-N 428.552 4.775 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)CN1CCCCC1 1760098720 WFDODEZIDBZNEU-UNWVZKJWSA-N 437.632 4.615 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(F)(F)F)CC1 1760141444 VKPYCBBSTLDQDW-UHFFFAOYSA-N 429.490 4.863 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760227110 VIXYEGNROAOXAV-UUOWRZLLSA-N 445.558 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1760327105 BZPLXTOBNHQATO-DBVUQKKJSA-N 434.943 4.540 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760347855 BZZYYYNFSOMCPX-KRWDZBQOSA-N 427.549 4.721 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC(C)C)CC1 1760402818 VTKUFZHVIQRXLR-OAQYLSRUSA-N 428.602 4.582 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760405379 RKBLJOBZHKPIOP-NBGIEHNGSA-N 426.605 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1760410715 ONCCUYXMLNQGPC-FYYLOGMGSA-N 448.615 4.885 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(C)C)CC1 1760424467 IRTPPRSEGNKINJ-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1csc(C)n1)C1CC1 1760471416 VFANICPXJDRFHW-HNNXBMFYSA-N 427.549 4.720 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCCc1nc(C)no1 1760482066 QVAFYIYTIDALIM-UHFFFAOYSA-N 449.946 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)CN1CCCC1 1760491509 JTXPVQHSYBRHTE-GOSISDBHSA-N 444.421 4.618 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)CCO[C@@H]1C1CC1 1760503742 DIIBLGSKGXAOLD-OFNKIYASSA-N 448.970 4.582 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(C)C)C2)cc1 1760531101 CRTBAMCFTSAMLK-HSZRJFAPSA-N 431.584 4.749 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1761077593 CTTSQWAMRNRCIC-ONTIZHBOSA-N 425.552 4.806 30 10 IJEE CCc1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)s1 1762628578 FJBWLQUDKFDJPH-NRFANRHFSA-N 429.952 4.636 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3C[C@@](C)(O)c3ccccc3)cc2C1 1762808062 HJTLVXDHWRTTLX-QJMRKGMQSA-N 449.624 4.777 30 10 IJEE CCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(c2ccncc2)CC1 1764842740 HBDVOOCXVFJYOG-UHFFFAOYSA-N 443.599 4.611 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CCS1 1765307346 GTBWIMAXTNOFNF-OAQYLSRUSA-N 425.602 4.641 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nc(C)c(C)s1 1765533144 DWJMLNCNIKIHSG-MRXNPFEDSA-N 438.601 4.670 30 10 IJEE CCOC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@H](C)CC#N)CCCC1 1765937130 DMRFRIHVKUYGKS-MRXNPFEDSA-N 431.968 4.695 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCSC1(C)C 1772516341 ZNCAPPQPIAHYCO-GOSISDBHSA-N 443.016 4.505 30 10 IJEE Cc1csc(N=C2S/C(=C3\C(=O)Nc4ccc(F)cc43)C(=O)N2C2CCCCC2)n1 1772737957 MVEPADYQYWLBEA-LXHPFOTCSA-N 442.541 4.850 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862416104 CRNDZWCFCJYPJP-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)c1 1862498860 SIXSCOLFAKYZBD-FQEVSTJZSA-N 447.362 4.750 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1C(=O)O 1862546427 XKHRXBXWXHTRRF-QHCPKHFHSA-N 447.531 4.888 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(N(CC)CC)cc1 1862646109 XTYWOTBVBJTLHS-QFIPXVFZSA-N 440.515 4.669 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862669378 UVRFCQMMQLZCNS-JLTOFOAXSA-N 447.453 4.788 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(C)c2)c1 1862699758 YDTWJADFTOBWRO-JOCHJYFZSA-N 433.529 4.886 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1C[C@@H](C)O 1862721242 CGQSAXWVMFNMJE-HOYKHHGWSA-N 427.500 4.621 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc4cccnc34)=C(c3ccccc3F)C2=O)c1 1862927549 VHIQWHOKYIOCNL-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCC)c(OCCC)c2)=C(c2ccccc2F)C1=O 1863302974 DPSONSFEXOFWFA-UHFFFAOYSA-N 438.499 4.781 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(CC)CC)=C(c2cccs2)C1=O 1863805340 SKPNVPWXQZRVCH-UHFFFAOYSA-N 433.662 4.900 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1cccs1 1864491406 BSULXSSYYGOGFK-FQEVSTJZSA-N 444.645 4.996 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868401323 WJFRJVSPKIJART-NRFANRHFSA-N 427.556 4.988 30 10 IJEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1 1870147862 KQVOPCAHIAKNIC-QHCPKHFHSA-N 437.503 4.503 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C(F)(F)F)c(=O)cc1CSC(C)C 1870196100 XABJNMRKHIWMRI-UHFFFAOYSA-N 440.487 4.712 30 10 IJEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870808967 JAIIVWIOYBOYTJ-UHFFFAOYSA-N 428.891 4.875 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870838369 AIPTXPYOVMQVDU-UHFFFAOYSA-N 448.007 4.908 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1871006556 LQJQIEBSUKGODX-UHFFFAOYSA-N 431.294 4.967 30 10 IJEE C#CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871006651 POOWADZQVUPOOD-XMMPIXPASA-N 428.532 4.627 30 10 IJEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871051181 NKPIOANAIVRMNQ-UHFFFAOYSA-N 429.520 4.758 30 10 IJEE CC(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871255477 YLSPLRAISAYHDN-UHFFFAOYSA-N 441.535 4.833 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 1871443973 MSVVXITYCFKQJV-CLMGESTGSA-N 441.483 4.563 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872519273 CUWTUVPYPDEIMH-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872532962 NOPJWCZMFXKKHI-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE Cc1ccc(C(=O)N2[C@@H](C(=O)Nc3cccc(C#N)c3)CS[C@@H]2c2ccccc2)cc1 1873866938 OIOOQBNKVZQRSN-RCZVLFRGSA-N 427.529 4.762 30 10 IJEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1O 1874213767 FCSHTRXBFLBNOH-OEAKJJBVSA-N 446.960 4.739 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccn1C 1874313032 ZGHWVFCURIRZCR-YZSQISJMSA-N 445.592 4.893 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(C(=O)O)cc1 1874323298 INYKWYUORUBHNJ-WYMPLXKRSA-N 436.537 4.723 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874450851 LGHFQVCFPRHCKV-BYWZACNXSA-N 442.928 4.656 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)c1O 1874451189 UAVLWGRBNMBDDQ-BYWZACNXSA-N 444.944 4.672 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(C)cc2)o1 1874460344 QLSRRAKEJCTAQQ-AUEPDCJTSA-N 438.431 4.550 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)cc1 1874482550 GILKOPINABYZQU-OEAKJJBVSA-N 438.557 4.724 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccc(Cl)c1 1874510790 VTTYLKXOLGMLPE-FSJBWODESA-N 438.944 4.707 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC 1874609534 WYIRSPBQKBYFGA-IZZDOVSWSA-N 432.900 4.975 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1 1874619213 POGJFHAIQZOVLE-UKTHLTGXSA-N 435.451 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OC(C)=O 1875171336 REVODQITNWXLFK-VOTSOKGWSA-N 433.298 4.905 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)C3c4ccccc4Oc4ccccc43)C2)c1 1891528934 KLNDFEHTPGLTJI-LJQANCHMSA-N 425.488 4.508 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C#N)Cc1ccc(Cl)c(I)c1 1900397657 QVWFRINNUDDBLA-QGZVFWFLSA-N 446.716 4.780 30 10 IJEE CC1(C)CC[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)N(C(=O)OC(C)(C)C)C1 1964767558 MURUIUCYVXCPKW-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)C=Cc3ccc(Br)s3)C2)OC1(C)C 1965482638 USTSBTIJTDWQLG-CYBMUJFWSA-N 426.185 4.609 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NC 2047970654 MBVUBWZTPYSRMC-DLBZAZTESA-N 429.786 4.540 30 10 IJEE O=C(N=C1c2ccccc2CN1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2059862003 NGUFYGLUGILSOT-UHFFFAOYSA-N 436.811 4.764 30 10 IJEE Cc1cc(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)ccc1NC(=O)OC(C)(C)C 2124520528 WGJJOIMXTYGRBE-IRXDYDNUSA-N 442.365 4.506 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2180959563 FSZOEOCITOKMLR-KSZLIROESA-N 441.410 4.725 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181100805 MVDCMQSIBVVBCD-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181135334 PMPZODQGYYOGBW-CXAGYDPISA-N 436.350 4.685 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2nc(C(C)C)[nH]c2Br)C1 2183010511 BEWBCZBIIOZCER-OAHLLOKOSA-N 441.414 4.807 30 10 IJEE C=CC[C@](C)(O)[C@H](NC)c1sc(Br)c(Br)c1Br 2216393830 MIEOIVDQZGTVNW-KOLCDFICSA-N 448.018 4.623 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 2235720043 HAHMIXBWVNMTIF-DKZVUGQWSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255366663 ITAWRXPZRZPERI-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1ccccc1B1OC(C)(C)C(C)(C)O1 2260375288 NZSKBRUQOXWBDA-YLJYHZDGSA-N 447.450 4.865 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1 2266709806 NGNRSJIZKPCUJG-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1sc(NC(=O)OC(C)(C)C)nc1C 2278730007 JIWMNXUPFBMETA-HNNXBMFYSA-N 436.375 4.873 30 10 IJEE C=CCCC1([C@H](NC)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2281458645 RBDSBYLZEKQAST-GOSISDBHSA-N 439.394 4.922 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCCCC3)c(O)c2)OC1(C)C 2282814166 KMMPFQPGFHWNHD-UHFFFAOYSA-N 449.400 4.914 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2cccc(Br)c2)c2ccccc21 2296217059 QEPBCGJFCQOCET-MOPGFXCFSA-N 427.342 4.667 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC(C(=O)C#Cc2ccc(Br)cc2)CC1 2296276898 MVZZNJPQQIPSPC-UHFFFAOYSA-N 438.337 4.793 30 10 IJEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@H](N)C#Cc2ccc(Br)cc2)CC1 2296290390 CIYXFZGYZKDJAM-GOSISDBHSA-N 435.406 4.992 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C12CC(CN1C(=O)OC(C)(C)C)C2 2296299579 WTTLNJHWLGTJJB-IMYXXEESSA-N 433.390 4.568 30 10 IJEE O=C1Nc2ccccc2C1=C1SC(=Nc2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 2314548009 OFIWUKLDLQEWAL-UHFFFAOYSA-N 447.516 4.644 30 10 IJEE C[C@@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317358196 JBYKBPOUIWCYIX-OFHUKCQUSA-N 430.354 4.503 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(C)c1Br 2320541763 NWLZWFUTJPDYPA-AWEZNQCLSA-N 431.396 4.637 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2C2CC2)cc1 2320902064 OTZSJIQBUUHULH-UHFFFAOYSA-N 433.581 4.570 30 10 IJEE Cc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)ccc1[N+](=O)[O-] 2323273868 KXINEPVRXLVQIG-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE COC(=O)COc1c(OC)ccc(C=CC(=O)c2c(C)cc(C)cc2C)c1Br 2323302228 BZGBYMSJYLRIJF-UHFFFAOYSA-N 447.325 4.831 30 10 IJEE CCOC(=O)[C@@H]1CCCN(Cc2c(O)cc(C)c3c2OC(=Cc2ccc(CC)cc2)C3=O)C1 2324059256 KIOURGUOAGVWKE-HXUWFJFHSA-N 449.547 4.654 30 10 IJEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2325227396 OZJSXDQLBSFVMA-UHFFFAOYSA-N 443.455 4.748 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325235004 QOJHTSDDYOKXAW-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OC[C@H]3CCCO3)c2C)C1=O 2325690229 WMJQVOVLGMWFMS-MRXNPFEDSA-N 445.309 4.940 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 2326668833 LTJPILDQTSLMKI-UHFFFAOYSA-N 432.336 4.899 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2cccc(OC)c2OC)CC1 2328210643 KRSBOROLHMQIKH-UHFFFAOYSA-N 446.617 4.726 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc2c(c1)OCCO2 2329485078 MIHHNNRGSHDCMA-UHFFFAOYSA-N 434.565 4.693 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c(Br)c2)cc1 2330965628 IUKGXYYXERWXIG-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(O)c2)c1 2331037197 VJHAQXHXWPHXCK-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccncc1 2331447407 PGEGWIWFOCZCPR-UHFFFAOYSA-N 443.455 4.663 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc([N+](=O)[O-])c1OC(=O)C1CC1 2331666399 LVEMGHKOCXPSSP-UHFFFAOYSA-N 439.464 4.830 30 10 IJEE C=CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(I)c(Br)c1 2337095385 AAAYGSAPYXSPTL-HZMBPMFUSA-N 434.115 4.528 30 10 IJEE CC#CCN(C[C@H](Cc1cc(Cl)cc(Br)c1)NCC)C(=O)OC(C)(C)C 2337911467 FNIXYQMVYIIOSA-SFHVURJKSA-N 443.813 4.884 30 10 IJEE CC[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514143 WUZKXDFJYBOLMX-KSNOWIBYSA-N 434.433 4.690 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339464278 WZJCIBHEGZKPAE-QGZVFWFLSA-N 441.352 4.517 30 10 IJEE C[C@H]1C[C@H](N(C)c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339584833 HALDFGANKZMRSY-LEWPLENUSA-N 433.405 4.825 30 10 IJEE O=C1N=C(NN=Cc2ccc3ncccc3c2)S[C@H]1Cc1ccc(SC(F)F)cc1 8671278 NBFZUUASNXTXDF-SFHVURJKSA-N 442.516 4.714 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1c(CC)cccc1CC 9965902 YOYGYTZHHGXYIM-UHFFFAOYSA-N 449.624 4.971 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1OC 21249036 AWEDNADKTCFYHO-UYAOXDASSA-N 449.547 4.885 30 10 IJEE CCOC(=O)c1cc(C#N)c(SCc2csc(Cc3ccc(OC)cc3)n2)nc1C 23432521 NMHKLYMUACUAQQ-UHFFFAOYSA-N 439.562 4.787 30 10 IJEE C=CCOc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1OC 31892948 IABKADVQESLZCJ-IBGZPJMESA-N 432.923 4.619 30 10 IJEE O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 33686613 JRZCIGBSYOPPES-PQHDRGKASA-N 443.572 4.567 30 10 IJEE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(N/N=C/c4ccccc4)n3)c2)C1 33960075 VZLGRQSLXBAXGQ-DMGPTTAYSA-N 440.594 4.677 30 10 IJEE O=C(/C=C\c1ccco1)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 35060177 FVETYHHLGBKZLZ-UFTUAFODSA-N 442.298 4.993 30 10 IJEE C=C[C@@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 36308857 IFLVZUKRBYZXMF-SHQCIBLASA-N 447.579 4.891 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1 38256243 LSKPUXCDUWZAEC-GYCJOSAFSA-N 443.499 4.944 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCCc2ccc(C)cc2)c(C(=O)OCC)c1C 96512730 FKXAPGBCHUUVAZ-UHFFFAOYSA-N 429.538 4.846 30 10 IJEE O=C(COc1ccc(/C=N/c2ccc(Br)cc2F)cc1)NCc1ccco1 104380104 CKBLFDOQWBUAKO-FOKLQQMPSA-N 431.261 4.627 30 10 IJEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc3ccccc23)c1 108011998 JUGLTSJOKCRNFX-WNAAXNPUSA-N 435.549 4.685 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 170072515 JIBMSLAORICCFZ-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170082884 JCAAKYRBXRRGNM-QHCPKHFHSA-N 442.446 4.791 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)c1 170139875 VRZJNKZYVJJQHH-HSZRJFAPSA-N 437.536 4.786 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143161 FNGBMKFYSCKNAY-ISKFKSNPSA-N 449.547 4.787 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)ccc1Cl 170169676 IVFMYVNRTCUWFP-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccncc1 170202730 PFMGVCQRTYSVOF-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)c(C)c1 170203969 MZLUOXNHQVKWDA-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)c1 170223345 CZYPZJDQLZEEEG-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 170223522 XZRLANBVXGTKIX-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccc(C(C)C)cc1 170245547 ALSSJCFBOBGLQC-QHCPKHFHSA-N 434.536 4.627 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)ccc1Cl 170274629 GGDXRWRXDPVUKG-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)cc1C 170274921 GLMRMAZTLNOCCT-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccco1 170291957 KCPWFXXKVJIJFQ-NRFANRHFSA-N 435.476 4.957 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170292763 MCIRSQMREBNUGP-HXUWFJFHSA-N 434.835 4.853 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Br)cc2)o1 170402707 DLRMNXIZMIJMSM-SFHVURJKSA-N 439.265 4.528 30 10 IJEE O=C1CCCC2=C1[C@H](/C=C\c1ccccc1)N1NC(SCc3ccccc3F)=NC1=N2 207300140 RYTAPMBKDZDEDP-ODLZTCLXSA-N 432.524 4.694 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1)c1ccc(F)c(F)c1 428997548 QDYYXPSZVSAUKJ-IBGZPJMESA-N 449.523 4.804 30 10 IJEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460934139 AJTPZDOKTPTKRS-MOPGFXCFSA-N 448.489 4.926 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 466149539 KPKKDFSHEPZERR-UHFFFAOYSA-N 429.520 4.592 30 10 IJEE O=C(NCc1nccc(C(F)F)n1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 481308683 AINMEYTWKRMGTD-GFCCVEGCSA-N 428.283 4.536 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)[C@@H](C)c1cccc(Br)c1 507500188 HLGVDGJBUPHJQP-HNNXBMFYSA-N 446.370 4.737 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1cccc(O)c1 526491252 KPTYBUAVICFNEO-HSZRJFAPSA-N 442.471 4.728 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 526809882 PSNNHSKEJLFTNU-QRVIBDJDSA-N 439.541 4.939 30 10 IJEE C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 555269734 TUMUGHSLYIZJSM-RDPSFJRHSA-N 432.568 4.614 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](OC(F)F)C1 558454444 HIZZJRKSKVTOHK-ZBFHGGJFSA-N 426.895 4.692 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCCO2)cc1 579500325 DKVRRDATXDDWQY-SIKLNZKXSA-N 425.577 4.535 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCc2ccccc2)CC1 580050068 CJFIMGFNZBNJDS-UHFFFAOYSA-N 437.551 4.708 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 583741086 XGBFGSZQJOANBT-UHFFFAOYSA-N 448.546 4.759 30 10 IJEE CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2cccs2)cc1 585693233 ZLQXRZZFHKQSDI-QMHKHESXSA-N 449.551 4.794 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)c1 586139971 PXDLGYRVXBCDSV-GOSISDBHSA-N 436.533 4.528 30 10 IJEE CCOc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(C(C)=O)cc2)cc1 586253516 HJUVUPXFCDGTAJ-UHFFFAOYSA-N 434.517 4.555 30 10 IJEE Cc1ccc(C(=O)NC2CCC(OS(=O)(=O)c3ccc(OC(C)C)cc3)CC2)cc1C 586508849 SHFZAYQLTREIKM-UHFFFAOYSA-N 445.581 4.537 30 10 IJEE N#Cc1ccc(CNC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)c(F)c1 609229450 QNJANHKSVHDOEA-OAQYLSRUSA-N 439.284 4.896 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)cc(C)c1 733202342 QITCDRMNNYXBSI-JOCHJYFZSA-N 433.577 4.904 30 10 IJEE Cc1c(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2)oc2ccccc12 734299117 FHEJOCVWKRHPOS-OAQYLSRUSA-N 433.533 4.542 30 10 IJEE COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1Cl 780309916 QXILWIKUCDJPHT-GFCCVEGCSA-N 447.850 4.711 30 10 IJEE COc1ccc(CNC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1C#N 788815645 YMRYQGRLVFUACC-NRFANRHFSA-N 433.487 4.533 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)cc2CC1 789350811 LFUVWZFQUJSXLQ-LJQANCHMSA-N 431.492 4.654 30 10 IJEE CC(C)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)cc1Cl 1125596173 CGWACTQULSAOOX-AWEZNQCLSA-N 434.298 4.799 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC=C)C2=O)c1ccc(C(F)(F)F)cc1 1127409923 DSIXHMYDHJVJFO-FQEVSTJZSA-N 442.437 4.925 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1 1136191838 CJUFVZDVASSSDG-UHFFFAOYSA-N 434.496 4.560 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccccc2OC)CCCC1 1136404307 WLPWYZVCMHMLOM-FQEVSTJZSA-N 430.589 4.873 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1(C)C 1142722333 CVDDQDKSIJGGNN-RTWAWAEBSA-N 434.540 4.723 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 1144004101 RQDBCQDUIPKEGF-UONOGXRCSA-N 432.735 4.710 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(O)ccc(Br)c1C 1159557546 SDRITHGZCPEEBA-AWEZNQCLSA-N 427.339 4.651 30 10 IJEE Cc1ccc(NC(=O)C2(CNc3ncc(C#N)cc3Br)CCCC2)cc1C 1162644216 HTMDAQTVPWNATM-UHFFFAOYSA-N 427.346 4.944 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCN(C)c3ccc(Cl)cc32)n(-c2ccccc2)c1C 1167694994 CKRHEHUAMNRBMC-UHFFFAOYSA-N 447.970 4.904 30 10 IJEE C#CCN(Cc1ccc(CN2CCCCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1176130491 VROHHATWQJBFEK-UHFFFAOYSA-N 425.617 4.507 30 10 IJEE O=C(c1cccc(C(F)(F)F)c1F)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1177591950 FIWVHHKSBQHAMX-UHFFFAOYSA-N 436.327 4.942 30 10 IJEE COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1C 1183763067 HRKRBYVGYADMEN-UHFFFAOYSA-N 440.315 4.960 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1 1190872075 FRCFAKTZGWEIBD-UHFFFAOYSA-N 438.531 4.699 30 10 IJEE Cc1ccc(COc2c(C)cc(CN(C)CC(=O)NCc3cccc(C#N)c3)cc2C)cc1 1191013197 GNFXGBPDEKFHDI-UHFFFAOYSA-N 441.575 4.811 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3c(Cl)ccc(Br)c3C2)cc1 1195526624 POMZJLFFOVKYCW-UHFFFAOYSA-N 440.790 4.968 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)cc1Br)c1ccc(F)cc1 1197489769 ZILWNMLNUFFPOM-AWEZNQCLSA-N 426.083 4.847 30 10 IJEE C#CCN(CCC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H]1CCCc2ccccc21 1198103437 HFKWEDCELIIULJ-OAQYLSRUSA-N 426.944 4.699 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](C)Oc3cccc(Br)c3)cc21 1209768404 WATORJYKXYREEB-AWEZNQCLSA-N 429.318 4.574 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)c2cc(Br)cc3cccnc23)c1 1270778841 HASQUFVGBGXFPK-UHFFFAOYSA-N 446.098 4.988 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCCN1CCCCC1 1286275568 OERAIGQYIHEAMX-QHCPKHFHSA-N 433.644 4.862 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1CC(F)C1 1286566671 SNIVJQKZKBCKCF-RBWAZQEJSA-N 426.580 4.619 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO[C@@H]1C(C)C 1286571325 OLBPYJQSAMOWKR-SIKLNZKXSA-N 426.561 4.527 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(Cc2cccs2)CC1 1286588028 INRMKUILHKJBMG-UHFFFAOYSA-N 445.539 4.506 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1286643974 CIYLYGYMECBNMN-UHFFFAOYSA-N 443.473 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286668851 VPPMHWINUVDKBW-MHECFPHRSA-N 445.007 4.975 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCCCSC 1286725611 XCPVGBUCSFZJIL-UHFFFAOYSA-N 437.654 4.548 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1286733854 KQCNKECRXDDSSF-HXUWFJFHSA-N 445.558 4.822 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCN(C)C(=O)OC(C)(C)C 1286745895 KIRNRYQJZAAZRC-UHFFFAOYSA-N 441.620 4.926 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCC(OC)CC1 1286755648 HORJKKQEIFDUCE-UHFFFAOYSA-N 430.980 4.991 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCCC1(F)F 1286767232 KUTRWWAWRUERCK-IBGZPJMESA-N 441.526 4.958 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CC)C1 1286834501 FVRNBYCVACCVLE-HXUWFJFHSA-N 444.645 4.689 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)c1ccccc1 1286970178 AMMQYHFNDVOXCQ-QXAKKESOSA-N 431.531 4.585 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1C#N 1295352234 FSABOYKOSHJMMS-GOSISDBHSA-N 447.278 4.565 30 10 IJEE C=CC[C@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1297175032 BXVSACQZWFRGQN-QGZVFWFLSA-N 427.342 4.583 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC1CC(F)C1 1300422432 NKVUAWUAJOKTEI-UHFFFAOYSA-N 425.335 4.762 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC2CCCC2)cc1 1300476703 SKNKYYJZADQQHH-DHIUTWEWSA-N 436.600 4.636 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(COC)CC1 1300743261 KGEWXIFBAODEOV-UHFFFAOYSA-N 444.670 4.505 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1SC 1300839364 GLBPZXUJVBZESB-UHFFFAOYSA-N 430.375 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cscc1C 1300899276 CSKSMMMUGFYFJO-UHFFFAOYSA-N 444.004 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCN(CCC)CC1 1300925172 PNNINOQWLHWNML-FGZHOGPDSA-N 431.669 4.721 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1301135717 PFZHACLBTDAEHD-UHFFFAOYSA-N 448.640 4.791 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301238684 CFVVINATIUHKRE-YADHBBJMSA-N 426.605 4.664 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1Cc1ccccc1Cl 1301413524 WLXFKMBULYEETO-UHFFFAOYSA-N 433.943 4.794 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1301444509 IMICISZKUKJUEM-VQTJNVASSA-N 430.980 4.967 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301445520 BFXMHQVVDGZEPM-VQIMIIECSA-N 438.494 4.712 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1C#N 1310781037 CGDRIROTWDHRAF-CYBMUJFWSA-N 445.976 4.848 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(OC)cc2)cc1 1311302724 PJGZJEOQUXGWCN-JOCHJYFZSA-N 435.524 4.502 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)cn1 1313513387 FDTIOJHKPMGTNE-RBUKOAKNSA-N 430.556 4.674 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2cccc(C)c2)cn1 1349066030 FLYLTUJRTBYHPV-UHFFFAOYSA-N 433.460 4.925 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C2(Cc3ccccc3F)CC2)c(C(=O)OCC)c1C 1352312806 XHROVHMPLHHPPB-UHFFFAOYSA-N 445.512 4.677 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCCCO1 1358905549 DCZMVQBWYTXLAT-LJQANCHMSA-N 431.378 4.516 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@H]1C(C)C 1359004318 RNQYLTXRIMYLRB-UTKZUKDTSA-N 430.980 4.518 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1359111164 QTLGRBQIBVKODD-NFBKMPQASA-N 432.572 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CCC1CCN(CC(F)(F)F)CC1 1359113699 OJABTPCBZLDRHZ-UHFFFAOYSA-N 429.575 4.934 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1359118150 QNPFHNCQLLJSPL-RTBURBONSA-N 432.515 4.907 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1csc(Br)c1 1359122676 MECUDCNGIFJVAS-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCCCN2CCCC[C@H]2C)CC1 1359167358 CRPAULXETRPLPI-HSZRJFAPSA-N 437.632 4.711 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCN(C)C2CCCC2)CC1 1359169091 UFDWHHOGEAWDFC-UHFFFAOYSA-N 441.645 4.610 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)COC)CC1 1359181230 LIVKZZORVOGYMX-LJQANCHMSA-N 426.605 4.840 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCSC1(C)C 1359254910 HUGOIVVUSXLRSW-VQTJNVASSA-N 442.629 4.515 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC2(F)CCC2)C1 1359317497 JXGLWCZNSBSLEJ-MRXNPFEDSA-N 449.368 4.771 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC 1360321505 MVTOGRBDBTYRML-UHFFFAOYSA-N 427.504 4.588 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C(C)(C)C1 1435141670 AOBISDPKATWLAB-UHFFFAOYSA-N 449.551 4.609 30 10 IJEE Cc1ccc(-n2nc(C(=O)OCc3cc(Br)cc(C#N)c3)c3c2CCC3)cc1 1436077866 FYRFHPBAHXCGRT-UHFFFAOYSA-N 436.309 4.661 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCCN1C(=O)OC(C)(C)C 1458232421 IYTYGBZUNLZCQS-HXUWFJFHSA-N 428.863 4.673 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 1458505663 LXLIPKUHGWYTCP-MEDUHNTESA-N 447.347 4.645 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 1467306150 ZSGWEBRJEBNGKH-GBESFXJTSA-N 436.980 4.522 30 10 IJEE C=CCN(CC=C)C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1467780589 CPTZSWLMYCPDNV-OAQYLSRUSA-N 427.639 4.953 30 10 IJEE C=C1CCC(C(=O)NC2(c3ccc(Br)cc3)CN(C(=O)OC(C)(C)C)C2)CC1 1471660995 QGTBSLADJDWJGZ-UHFFFAOYSA-N 449.389 4.758 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)C(=O)OC 1471895401 PAYVWZMSRFUDGQ-NLFFAJNJSA-N 436.577 4.811 30 10 IJEE C=CCn1c(SCC[C@@](C#N)(C(C)=O)c2ccccc2)nnc1-c1ccc(OC)cc1 1472921145 KGGWTTODMYJEDY-XMMPIXPASA-N 432.549 4.672 30 10 IJEE C[C@@H](C#N)N(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccc(C(F)(F)F)c1 1473572746 GSYBEGWRQNEJAI-ZDUSSCGKSA-N 427.373 4.660 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2cn3c(C)cccc3n2)cc1OCC 1474201160 XLUSETHURUNCJL-UHFFFAOYSA-N 444.373 4.701 30 10 IJEE C=C(Cl)C[C@H](NCc1ccc(N2CCCCC2)c(Br)c1)C(=O)OCC 1474667003 GYQYVJHMEHFTCS-KRWDZBQOSA-N 429.786 4.603 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 1478062508 VJDSVOUVZKYQCO-GCJKJVERSA-N 448.535 4.598 30 10 IJEE C#CC[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1478244911 ASRWNEAYEIMQAU-HZSPNIEDSA-N 440.334 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1c(C)nn(C)c1C 1507529700 QXEHCAUQXSBANL-HNNXBMFYSA-N 448.571 4.669 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](CCC)C1 1507557583 RAWMRBRJWNMONW-WIYYLYMNSA-N 430.980 4.880 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](COC)C1 1507558706 YHVSFLGOKGJJKY-RBUKOAKNSA-N 430.980 4.738 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2ccc(CC)o2)nnc1[C@]1(OC(C)C)CCOC1 1507576536 YPANZIXKTWQOTC-BWKNWUBXSA-N 440.588 4.619 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1507590254 AMIWBFIIMJNXMU-LJQANCHMSA-N 437.588 4.824 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](c1ccccc1)N(C)C 1507606641 SJICBIKRVXAWPB-NRFANRHFSA-N 433.625 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC1(C)C 1507672699 DSCDPNLOUZLFHY-FQEVSTJZSA-N 439.003 4.761 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(C)s1 1507714804 WVHPUDWXRWZJNC-UHFFFAOYSA-N 447.029 4.728 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)CC(F)(F)F 1507762506 USQQXIXTBMNSKD-HSZRJFAPSA-N 447.549 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)c1ccsc1 1507766584 UPGIYBQUTUGRNU-FGZHOGPDSA-N 426.973 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCC(C)CC1 1507817312 IAXRNQRQLQHBGK-UHFFFAOYSA-N 432.616 4.936 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@@H](F)C1 1507817482 JFDWGZOZJSCQED-FUHWJXTLSA-N 432.540 4.512 30 10 IJEE C=C(Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507850246 DJTHPNXMGQNAFU-LVXARBLLSA-N 438.616 4.905 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 1507917765 WJMYTUQVLYSSAK-OAQYLSRUSA-N 440.542 4.824 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCSC(F)(F)F 1507999353 JVKDTYBMTVFKTP-UHFFFAOYSA-N 432.475 4.590 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC1(O)CCCCCC1 1508004197 ANCMJGOTAKDLTC-UHFFFAOYSA-N 435.547 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1508009376 ZZJXXJPCUKFOEZ-ZVDOUQERSA-N 444.645 4.877 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1 1515666496 GYHZLGMVDPWJGF-IBGZPJMESA-N 429.515 4.791 30 10 IJEE C=CCC(F)(F)C(=O)Nc1cc(Br)cc(I)c1C 1530890695 ZSWINIDVAYRSMV-UHFFFAOYSA-N 430.030 4.512 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2nc(Cc3ccc(Br)cc3)cs2)c1 1534254940 FFWMIOUOEYEUGH-UHFFFAOYSA-N 441.354 4.686 30 10 IJEE C=C[C@H](CC(=O)NC1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1534304889 GSZSWMAUQDWSGL-MRXNPFEDSA-N 426.479 4.795 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(C(F)(F)F)cc3)C(C)C)cc2C1=O 1536269116 HUWJYLRJEZDJFI-LJQANCHMSA-N 430.426 4.615 30 10 IJEE C#CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)[C@H]1CCCc2ccccc21 1536279105 JJVNCPGXBCAMPU-DQEYMECFSA-N 432.564 4.867 30 10 IJEE C/C(=C/C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)F 1537418731 OGTQPSYRBJYRCV-UILAEWCASA-N 426.341 4.971 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2c(CC)cccc12 1539036017 XGQSEADYZDHNAD-IHLLOCCUSA-N 447.627 4.941 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCC(C(F)(F)F)CC1 1539200253 DGURPWLJYBYFRD-OPQOLIRYSA-N 426.527 4.635 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCC(C)CC1 1539384293 CLXADOFJCLALJI-HXUWFJFHSA-N 449.574 4.746 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)C2)c(F)c1 1539409609 IAAQHKNQXXASLG-SFHVURJKSA-N 426.451 4.826 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cn1c(-c2scnc2C)nc2ccccc21)c1ccccc1 1539644500 BTWNTIRTTWCFHH-SSEXGKCCSA-N 436.562 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CCC(OC)CC1 1539655257 KDYHEOHVEFZJJN-UHFFFAOYSA-N 427.549 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C)nc1-c1ccccc1 1539658786 AZOWAPXAMLILTG-UHFFFAOYSA-N 447.974 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)C1CC1 1539678300 OYXXIXOMNMPZQO-RUZDIDTESA-N 426.605 4.718 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccco1)c1ccccc1 1539765624 HOQBUKCLLRUYOI-UHFFFAOYSA-N 438.329 4.979 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(C)cc2)CC1 1539874711 IWXTVFBJDXDTTM-UHFFFAOYSA-N 440.389 4.989 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1539926671 RGDAQEKCEZAASI-KRWDZBQOSA-N 444.649 4.528 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 1539946545 BQSRWRCMNWDQLP-XZOQPEGZSA-N 449.643 4.818 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)c1cccs1)C1CC1 1540098818 JBFXXPFGVLNYJA-QFIPXVFZSA-N 446.523 4.671 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCC[C@H]1CCCCO1 1540128318 LBTQFXRAOIQZSS-BJKOFHAPSA-N 449.599 4.586 30 10 IJEE C=C(C)CCC(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1540822254 PFHIGHHTYYZIHN-UHFFFAOYSA-N 441.322 4.684 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](OC)[C@@H](C)CC)C1 1540887117 QDYDDZJJWDSFSK-XAUMDUMWSA-N 436.959 4.580 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)[C@@H](C#N)C1 1543734498 HOPPFVRKNMGTID-INIZCTEOSA-N 431.945 4.654 30 10 IJEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)=C(Br)C1)OC 1546908461 HJXYDGDPCVHHSP-GOSISDBHSA-N 444.377 4.511 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N3CC(OC(=O)Nc4cccc(F)c4)C3)c2)cc1 1556223301 GMBSMISJWFVXOU-UHFFFAOYSA-N 431.423 4.563 30 10 IJEE C[C@@]1(c2ccccc2)CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1556560411 HJYROKNACDHQMY-JOCHJYFZSA-N 427.342 4.670 30 10 IJEE C=CCOc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1Cl 1560335005 VGUFUEBMSOVOCT-IBGZPJMESA-N 436.886 4.791 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 1561745353 PCZXDYHXPSLPLB-QRQLOZEOSA-N 427.994 4.701 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 1561876758 QGIDNUHBUWJBQE-KRWDZBQOSA-N 439.331 4.733 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCN(C2CCCCC2)C1 1562321741 DTWBLPRTSQOJKT-QFIPXVFZSA-N 432.568 4.974 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1)C(C)(C)C 1562454118 FFJIOHIEIFVIJJ-FQEVSTJZSA-N 436.487 4.667 30 10 IJEE C[C@H](NC(=O)Nc1cc2oc(=O)n(C)c2cc1F)c1ccc(-c2cccc(C#N)c2)cc1 1562926371 HPGKIMXRRCCUDK-AWEZNQCLSA-N 430.439 4.692 30 10 IJEE C=CC[C@H](CO)CNC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1563320405 SPLBBYYZJOPLDM-INIZCTEOSA-N 425.367 4.714 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)c1ccc(Cl)cc1F 1563534876 PFGNRNAGSBHHHN-VXKWHMMOSA-N 431.939 4.544 30 10 IJEE C#C[C@H](NC(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1569673410 IAWZQKCXXPFOPS-ROUUACIJSA-N 437.378 4.569 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1583337688 LCQQODQHABZVEI-JXFKEZNVSA-N 428.426 4.991 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(Cl)ccc1I 1583509797 AGKAWGVKYHVJMY-UHFFFAOYSA-N 443.668 4.770 30 10 IJEE N#Cc1cc(NC(=O)COc2ccc(Br)cc2Cl)ccc1Br 1584021610 BJRQAGVPHZWOHI-UHFFFAOYSA-N 444.510 4.754 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1587705490 FFYCOPIXYHKCGS-SFHVURJKSA-N 428.552 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(C)C(C)C 1589164615 WHHHULBWDPNIRC-AREMUKBSSA-N 430.600 4.524 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OCC(C)C)CC1 1594408084 DEOMFXDCBIVQNB-UHFFFAOYSA-N 448.615 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1594520985 IUJPOYUWTOUAFS-JOCHJYFZSA-N 438.616 4.755 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nncn1C 1594559871 SEELHSSYUNYLOS-UHFFFAOYSA-N 434.375 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C(=O)OC(C)(C)C 1594896354 XDBMHQLTKTVXRJ-UHFFFAOYSA-N 445.633 4.765 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1595133441 HEJBYOAOQUTUNJ-ACIOBRDBSA-N 442.579 4.913 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](C)c3ccc(I)cc3)cc21 1616146476 MZJXQYLCRUPRAH-CYBMUJFWSA-N 431.277 4.569 30 10 IJEE C[C@H](c1cccc(Br)c1)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1620056345 BWYXYTDIWICMAY-MRXNPFEDSA-N 436.357 4.594 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CSc2ccccc2O1 1625539518 YFYQDBKGJASKJG-CQSZACIVSA-N 435.343 4.689 30 10 IJEE C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1C(=O)OC(C)(C)C 1630239205 GAUDMTJUEGTVAP-SJLPKXTDSA-N 436.512 4.720 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(OCCCC)c(Cl)c3)n[nH]2)c1C 1634154144 KYKRYVYYBYDKJD-UHFFFAOYSA-N 441.963 4.838 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1636468928 FHDPMOQSCIBXQY-HNNXBMFYSA-N 438.380 4.818 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)CF 1636730493 GXSBHCQNMPMEBR-YCRPNKLZSA-N 430.907 4.511 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCSC[C@H]1c1ccccc1OC 1637501173 JGTOVKZWEKLJKN-UXHICEINSA-N 448.629 4.951 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 1641152408 HEWPGRPFYBQMDL-HNNXBMFYSA-N 435.915 4.800 30 10 IJEE C#CCN(CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC)CC1CC1 1644962090 AVTWIIRAJWUXDV-UHFFFAOYSA-N 430.957 4.529 30 10 IJEE C=CC[S@](=O)(=NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 1646624049 JJFAPJREZYIJJC-SSEXGKCCSA-N 446.598 4.544 30 10 IJEE C[C@@H](N[C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(CCC#N)c1ccccc1 1654569362 GOGPFCHQTYOELQ-IIBYNOLFSA-N 440.385 4.997 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1655044453 DHMYVCGWVGDDDF-ZEQKJWHPSA-N 442.607 4.939 30 10 IJEE C=CCn1c(SC[C@@H](COC)c2ccc(Br)cc2)nc2ccccc2c1=O 1656040145 OUHWWLYFUWWESA-MRXNPFEDSA-N 445.382 4.867 30 10 IJEE C[C@@H]1CCC[C@@H](N(CCC(=O)Nc2ccc(C#N)cc2)Cc2ccc3c(c2)OCO3)[C@@H]1C 1657131437 HIYBHXVVAQSULZ-DNVFCKCGSA-N 433.552 4.942 30 10 IJEE COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC(Oc2ccc(C#N)cc2F)CC1 1658561723 GBJMCZORGXEYOS-HXUWFJFHSA-N 437.298 4.762 30 10 IJEE COC(=O)C(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1658735963 IBZFITDBCDOQGY-UHFFFAOYSA-N 430.464 4.840 30 10 IJEE Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1cccc(Br)c1C#N 1661691310 HQCZSUNYHWVCNL-HNNXBMFYSA-N 447.276 4.601 30 10 IJEE CC(C)CNC(=O)C1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1661860193 GATQKAAFEADALN-UHFFFAOYSA-N 436.581 4.726 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(NC(=O)OCC)c(C#N)c1 1662609757 DVFFUXLHQKCWOI-UHFFFAOYSA-N 428.286 4.513 30 10 IJEE CCCOc1ccc(CN(Cc2ccccc2)S(=O)(=O)Cc2ccc(C#N)cc2)cc1 1663039008 BCLFUESXNXLSQR-UHFFFAOYSA-N 434.561 4.879 30 10 IJEE Cc1c(S(=O)(=O)NC2(CC(=O)OC(C)(C)C)CCCCC2)sc2ccc(C#N)cc12 1663687038 DMEMEBWFHOMWEK-UHFFFAOYSA-N 448.610 4.794 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)cc1 1667589123 GDSKQAOMQTVVHG-CQSZACIVSA-N 436.339 4.840 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1c[nH]c2ccc(F)cc12 1678356507 XTCSAFAAGICDDW-UHFFFAOYSA-N 432.293 4.999 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F)c1ccc(Br)cc1 1682356913 PASPBTPVEYPKTF-QUCCMNQESA-N 433.296 4.818 30 10 IJEE C=CCCCCCCCNC(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1682958649 VAPUMZAKJGDHJD-LJQANCHMSA-N 431.543 4.736 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nccs2)C1 1689876803 IZDAYPXXOZLHHT-NHCUHLMSSA-N 435.597 4.658 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCO[C@H]1CCCC[C@H]1C 1689947567 IBBNKEAZZGOJEY-LQWHRVPQSA-N 430.980 4.736 30 10 IJEE C#CCN(C)c1nnc(Cc2ccccc2C)n1Cc1c(C)sc(C)c1Br 1689967883 VTEFFRARZTZCFG-UHFFFAOYSA-N 443.414 4.736 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCCC[C@@H](SC)C1 1690181218 QKZOHLMJLMMGJG-OAQYLSRUSA-N 428.671 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCC1(COC)CCC1 1690212728 RRIHSUQNPMTIAS-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCc1nnc(C)s1 1690258853 WZTHOXJOWIVGIM-UHFFFAOYSA-N 447.406 4.513 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN(C)CCCC)CC1 1690363923 DZHSLEBWEHVFPV-JOCHJYFZSA-N 425.621 4.923 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CC)C1)c1ccccc1 1690442187 OATXBKYRTTVPDV-IFMALSPDSA-N 444.583 4.912 30 10 IJEE C=CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)Nc1ccc(C)c(C)c1 1690495511 CCIUZXSCVBPSCV-SFHVURJKSA-N 441.486 4.634 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1C[C@](C)(O)c1ccc(F)cc1 1690578104 QRPSNEIFZPRJAZ-QHCPKHFHSA-N 426.561 4.847 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@H]1C(C)C 1690607302 JVPSXPAPLSURKN-GGAORHGYSA-N 435.572 4.619 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC2CC(F)(F)C2)cc1 1690679409 TXRKBPZPQFKUBV-UHFFFAOYSA-N 439.510 4.743 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(SC)cc2)C1 1690710575 UCXXQUKFDXLACD-OAQYLSRUSA-N 426.630 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1705694746 DYCBQKKHZFYKCA-ZVDOUQERSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CC(F)C1 1705698088 ZQJQNMKIHVDXGU-VELDQMPNSA-N 448.970 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCS[C@@H](C(C)C)C1 1705704065 YMFADBAFWIHYKN-ZDXQCDESSA-N 440.657 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1705706881 AGGTVVYAFLRJHQ-QZTJIDSGSA-N 439.604 4.532 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCCCC2)CC1 1705763549 XUSGKYPYUPSAAY-HXUWFJFHSA-N 427.568 4.590 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1705813816 UYZOVRFKPLHPRP-OAQYLSRUSA-N 437.975 4.798 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC=CO1 1705877487 JDLREKSDKRCGIR-NRFANRHFSA-N 435.959 4.921 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705879802 LRDXUJQHGPTAHR-RLSLOFABSA-N 426.605 4.636 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1705949117 OVUGTMSEMBPAOF-HSZRJFAPSA-N 425.602 4.523 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCSC(C)C 1708508107 BVFUDDNJFNFZCP-IBGZPJMESA-N 426.634 4.522 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCO[C@@H](C)C1 1722418304 MJIXIXJWFVAXOK-VQTJNVASSA-N 436.531 4.831 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCOCCC(C)C 1722472582 HTFPTKYFJBLJFQ-XMMPIXPASA-N 430.543 4.592 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccccc1OC 1722482626 CFCVXLLJBFATGH-SFHVURJKSA-N 440.345 4.599 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2CCC[C@H]21 1722623861 NAHUTNMLUVOZCT-LSDHHAIUSA-N 437.407 4.741 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1csc([C@@H](C)OC)n1 1722635174 UZSXZQFMNWWPNJ-HUUCEWRRSA-N 447.992 4.906 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc3ccccc3o2)n1CCCC(=O)N(C)C 1722661951 SLJDUYPRDMBCJP-UHFFFAOYSA-N 449.580 4.814 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC2(CCC2)C1)C(C)C 1722665864 OQYFWSSQEFALIF-FGZHOGPDSA-N 427.637 4.599 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCOC(C)(C)C 1722683433 MZVBGYZHUUAXOE-UHFFFAOYSA-N 427.774 4.798 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCC[C@H]2CC)C1 1722713456 BOBGJVXZCNJJOS-WOJBJXKFSA-N 444.023 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2sccc2C)C1 1722723562 ZWBLGVFWVYXJPM-HXUWFJFHSA-N 438.597 4.673 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1C 1726596315 BIDKTMMSQRGYIY-JKSUJKDBSA-N 440.473 4.761 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)OC(C)(C)C1 1740572416 KSNAPKNKDMAYDQ-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccc(Cl)cc1 1740597117 PEQYILXCBHSZKZ-NHCUHLMSSA-N 429.008 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@@H](F)C1 1740726480 BAKWVXZFINMZLK-FQELHTAISA-N 431.353 4.838 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCc1ccc(Cl)cc1 1740756932 LVADBISWARTETA-IRLDBZIGSA-N 437.975 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nccs1 1740769117 GVHCZJPAXHCPSW-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@H]2C)CC1 1740824730 AUVONXRZIGJTSQ-QHAWAJNXSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(C)CCCS2)CC1 1740836140 HAWADLUVPPLEFA-QHCPKHFHSA-N 428.602 4.650 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC)C1 1740857341 LAUDOAGVAUAEFP-SFHVURJKSA-N 429.996 4.844 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCCc1nc2c(s1)CCCC2 1740904126 YNLYFUIXLCOHMR-UHFFFAOYSA-N 437.613 4.756 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@H](C)N1CCCCC1 1740921584 ATHZBYGOSRUNGC-FQEVSTJZSA-N 438.645 4.802 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)COC 1740922828 UDEYTRRVDSDLEL-UHFFFAOYSA-N 431.993 4.920 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740943535 VEYUWPAREMGRAN-CEWLAPEOSA-N 439.604 4.746 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccco2)cc1 1740967941 VEQBTCDLMYMMHO-FQEVSTJZSA-N 446.555 4.543 30 10 IJEE C=CCOc1ccccc1Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)CC 1740970968 FXUDIRGJFQSWIP-KXBFYZLASA-N 428.487 4.925 30 10 IJEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OC1CCCC1 1741538789 HHDMIDDPEZRDLJ-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE CCN(CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1)C(C)C 1746317140 GPKHVLNYWCUJKS-UHFFFAOYSA-N 435.403 4.722 30 10 IJEE C#CCCCn1c(N(C)[C@H](C)c2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748763093 XCCJKAGBXLHLHX-KURKYZTESA-N 443.617 4.721 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(OC)CCC(C)CC1 1748876610 MMHKFNQSIGMKTQ-UHFFFAOYSA-N 442.966 4.796 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H]1CCSC1 1749216217 KYMWAFFLGHSHNM-SFHVURJKSA-N 432.659 4.810 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749252978 WOAPZJWXFKYDEW-SBHAEUEKSA-N 430.980 4.793 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCN1CCC[C@H](C)C1 1749528519 SVAPBLXPQIRNPE-FQEVSTJZSA-N 425.621 4.509 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)c1c(C)noc1C 1749561180 IBNYDESNQGFOMI-KRWDZBQOSA-N 443.555 4.922 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(N(CC)CC)CC1 1749642666 ZWFLGMIJFHFKPF-UHFFFAOYSA-N 438.403 4.661 30 10 IJEE CC(C)CCN1CCC(Cn2c(Cc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)CC1 1750800949 AYQBHCQCTIHCHX-FQEVSTJZSA-N 440.611 4.504 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1760115140 ZOEDFEQJVYFQBQ-SFHVURJKSA-N 437.588 4.983 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1760289964 UKUVHGOKFZSISV-CKBKHPSWSA-N 440.563 4.897 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)CC 1760290265 AFNLLYPTFBQGFE-FTJBHMTQSA-N 431.584 4.506 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1760347317 QSYSKNSVJZLUCS-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)Cc1csc(Br)c1 1760357283 HSPDTCAKINHDKT-UHFFFAOYSA-N 441.439 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OC(C)C)CC1 1760409002 WJOZMJVKYPDMIR-UHFFFAOYSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760409396 SRDOMTSWCCMVLY-LJQANCHMSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760423689 IUJJWSZGCREYDY-NVXWUHKLSA-N 436.478 4.707 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1760437064 PYICIUFSUWFILN-LJQANCHMSA-N 432.597 4.728 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1nccnc1C 1760490723 HSUHRFXPPNMHLL-UHFFFAOYSA-N 434.613 4.795 30 10 IJEE C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1760510027 BJDNMRKYBYYHJN-MRXNPFEDSA-N 441.567 4.524 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cscn1 1760534394 XKUBYHLTTOFCBU-UHFFFAOYSA-N 437.594 4.636 30 10 IJEE CCc1nc(C)c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)o1 1762726215 BNWLMKUBZYEYBY-VQIMIIECSA-N 436.560 4.680 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1762740239 HTVKSYDNTXJMIC-VIICAESSSA-N 435.616 4.789 30 10 IJEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)C1 1765381204 FJLNRWAEXDKJML-FCHUYYIVSA-N 448.615 4.528 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2C1)C(C)C 1767352722 CUKMUHJSOYLHKQ-OAQYLSRUSA-N 435.597 4.892 30 10 IJEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)C1 1769619076 BNDCPAKSSYLRGP-GOSISDBHSA-N 429.515 4.505 30 10 IJEE CCCCCCCCn1cc(O[C@@H](CC)C(=O)OCc2ccccc2)c(=O)cc1C(=O)O 1857891206 QGPZZPATQABSFF-QFIPXVFZSA-N 443.540 4.808 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)CCc2ncc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N 1859742048 OGHMZJWHCGUVDV-UHFFFAOYSA-N 448.262 4.779 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860935396 KQANAZMLIMTYRK-HXUWFJFHSA-N 430.568 4.601 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)CCOc1ccccc1 1861779727 ARTDMQFFXWOAHD-JOCHJYFZSA-N 436.662 4.950 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862432278 AUNXKHISQBJSCJ-IBGZPJMESA-N 434.319 4.734 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446532 UZYOKRYOKDNRJG-IBGZPJMESA-N 429.806 4.990 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccncc2)c1 1862456443 RTODXVQBMBEKKI-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 1862506855 BLDHJDHXIBAJOE-XMMPIXPASA-N 445.490 4.969 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 1862681273 WNNDUISMWLLXGS-XIKOKIGWSA-N 432.289 4.965 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862746070 YAEUAHMBBNKLAC-VFNWGFHPSA-N 438.480 4.760 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)c1 1862747975 XBXDJUQNCKRTJX-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1862795653 JZGQPQGTHQEILI-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862988388 KZZZNUKJRBTHMB-UHFFFAOYSA-N 448.482 4.614 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1863210600 FYGOBTSGNCPWJQ-GOSISDBHSA-N 437.499 4.910 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)c1 1863305738 ADAWBHLIGNZDTC-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE Cc1nncn1C1CCN(c2cc(Nc3cccc(C#N)c3)nc(-c3ccccc3)n2)CC1 1868354462 CPOUZLFKOHWBRJ-UHFFFAOYSA-N 436.523 4.500 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN1CCCCC1 1870515392 VZQOEXFWYFWEHF-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCc2ccccc2)cn1CCCOC(C)C 1870689109 OBHPSMMEGBUINV-UHFFFAOYSA-N 438.612 4.849 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CN(CCC)CCC 1870729209 UFLOKPUSFOSXGC-UHFFFAOYSA-N 439.600 4.797 30 10 IJEE CCCCCCCOc1cn(CC)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1870835789 JQCJSYQAVPCNQW-UHFFFAOYSA-N 440.632 4.581 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(OC)c1OC)C2=O 1871426983 HTDJGLIFXPDEMA-STZFKDTASA-N 440.492 4.741 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871432549 KRLQRCXURFQPFB-MXAYSNPKSA-N 427.456 4.831 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871433255 ZRAIYZMACAYEKM-MSXFZWOLSA-N 445.446 4.970 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccccc3C#N)ccc2C1=O 1871437374 UPAKYDDVVNUYFW-GATIEOLUSA-N 443.455 4.779 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1871793292 XIYNSNAETOJAHA-IBGZPJMESA-N 441.380 4.978 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1872605370 STNBNNWAPFDQJP-SFHVURJKSA-N 437.433 4.917 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874267496 ACZPPXBTLLDXLM-CIAFOILYSA-N 431.905 4.803 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N(CC)CC)nnc2[C@H](C)c2ccccc2)cc1 1874391825 UNQODSUAZCBMNK-VKELSTCCSA-N 449.624 4.835 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)c1OC 1874495425 KIMMPZKFRDNGPR-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE CCCc1nnc(SCCO)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874511197 OLRHAGBEDBNRSM-YZSQISJMSA-N 446.576 4.929 30 10 IJEE CC(C)c1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1c(F)cccc1Cl 1874514123 IUDHGYVGUAJUEL-FOKLQQMPSA-N 437.972 4.617 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1C1CC1 1874518176 GGQCNTKETLRMFI-MFKUBSTISA-N 447.564 4.642 30 10 IJEE CCCOc1ccccc1/C=N/n1c(S)nnc1Cc1ccc(Br)cc1 1874569910 INCNGCBGOBXILI-FYJGNVAPSA-N 431.359 4.591 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1C 1874636843 VDHKRCGLFFHRAH-SDNWHVSQSA-N 429.516 4.903 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1Cl 1874637051 GGYJAZGLMBNOOJ-UKTHLTGXSA-N 435.907 4.940 30 10 IJEE COCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)c(Br)cc1OC 1874713595 FORYDFUZGHPWNX-BQYQJAHWSA-N 433.298 4.522 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1C 1875107254 HGBWDNNAAMGIAF-CSKARUKUSA-N 433.460 4.531 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C(C)C)c(OC)c2)cc1 1875113217 UZGIPDBZONSKSP-BJMVGYQFSA-N 433.298 4.924 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)c1 1875145584 NWIFHBHOEKPONQ-MKMNVTDBSA-N 446.455 4.744 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc4cc(F)ccc4nc3C)ccc21 1890701885 XHVZLYDGNARJCY-UHFFFAOYSA-N 433.483 4.872 30 10 IJEE Cc1ccc(Oc2ccc(S(=O)(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)cc1 1891402638 XLKIHYUTNBNNFR-UHFFFAOYSA-N 448.544 4.891 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CC[C@]1(C)CCOCc1ccccc1 1892546204 JZMWGFOZLQYOCK-HHHXNRCGSA-N 435.417 4.866 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(F)c1C#N 1901481188 APCFXCGEAUTJQK-QHCPKHFHSA-N 443.478 4.953 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2O1 1922086281 OVUABJVPSRLOEY-RPWUZVMVSA-N 438.568 4.940 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(O)CCN(Cc2ccccc2)CC12CCC2 2037432712 RLXSAEXAGCVEMC-IXCJQBJRSA-N 434.624 4.545 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Cl)ccc(Br)c1F 2058353067 TURFIGJCSVCQAD-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE C#CC[C@H](C)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2076088229 NBVGUQWZKVGFPN-UPVQGACJSA-N 441.660 4.964 30 10 IJEE N#Cc1c(C2CC2)nn2c(Cl)cc(-c3cc(C(F)(F)F)cc(Br)n3)nc12 2081195844 RIMUSCKFPPSCAW-UHFFFAOYSA-N 442.626 4.975 30 10 IJEE COc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCOC2 2081396312 JYQZIMUSEHGQGU-UHFFFAOYSA-N 435.299 4.654 30 10 IJEE N#C[C@@]1(Nc2ccccc2Br)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156278377 MGXFOYCBUNLALX-FGZHOGPDSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2cc(Br)cc(F)c2C#N)CC1 2163692392 OEQDDYOCKDKVOM-MRXNPFEDSA-N 444.320 4.857 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3cccc(Br)c3Cl)CC2)OC1(C)C 2163715915 LDIGAVHMCXVUSQ-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE N#Cc1ncc(Br)cc1N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2167559904 CWSFMJGGHHZLDD-QFIPXVFZSA-N 425.374 4.598 30 10 IJEE C[C@@H](CCC[C@H](C)C(=O)Nc1ccc(Br)c(C#N)c1)NC(=O)OC(C)(C)C 2180916450 MNKGZSLLSQVDJA-KBPBESRZSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181053575 NAHJNVLZUGQONW-ZIAGYGMSSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNc1ncc(Br)cc1C#N 2194004720 BTTWDLKMNSKURG-HNNXBMFYSA-N 449.374 4.724 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)CC#C[Si](C)(C)C 2229124217 QYLXRPOTPGJBPB-QGZVFWFLSA-N 438.438 4.725 30 10 IJEE COc1cc(Cl)cc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)c1 2234012874 BAHDBHRJNKAKRE-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235725341 WOHHMJUBYUBSKE-MJGOQNOKSA-N 435.406 4.816 30 10 IJEE COc1ccc(C#C[C@@H](N)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2237748828 XTBHQRWSERPWFP-LJQANCHMSA-N 431.330 4.856 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)sc(C)c1C 2247832053 JBPDEEZINCLGQU-UHFFFAOYSA-N 425.403 4.883 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2249348163 IHMCTWGKPVWNEL-LRWSGUAYSA-N 434.541 4.509 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CC[C@H](CCNC(=O)OC(C)(C)C)C1 2261829246 OXTDZJGIKWXIAJ-CJFMBICVSA-N 447.572 4.704 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296226006 AXZDEVZYKYUYOY-XNFNUYLZSA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@@H](N)C#Cc3cccc(Br)c3)(C2)C1 2296228352 YEHRNVCLDKNJIZ-LQBOVUBWSA-N 433.390 4.555 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2296228740 BSGXILJOHOKMDI-RTBURBONSA-N 433.390 4.711 30 10 IJEE CC(C)(C)OC(=O)NC12CCC(C(=O)C#Cc3cccc(Br)c3)(CC1)CC2 2296232644 PGSAOGSUVGAYDU-UHFFFAOYSA-N 432.358 4.987 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296277154 OVRJHOAZWRNSHK-RTBURBONSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@H](N)C#Cc1ccc(Br)cc1 2296304421 HEBXOVUUJGGGRR-IEBWSBKVSA-N 447.398 4.724 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]12C[C@@H]1CCCN2C(=O)OC(C)(C)C 2296307265 RSLLJMMAJDSYLF-LRXVAGHRSA-N 433.390 4.568 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 2297062025 GNTVPVSPQKKLNQ-XMMPIXPASA-N 442.515 4.799 30 10 IJEE O=C1C(=CNc2ccccc2F)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 2297378387 JYBYFSLXAISCTD-UHFFFAOYSA-N 432.473 4.513 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1c(F)cccc1Cl 2320936260 CFLSXERZMIFEBH-UHFFFAOYSA-N 445.951 4.863 30 10 IJEE Cc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc3c(c2)OCO3)C4=O)cc1 2321958646 WFONKDZRNQCFOX-UHFFFAOYSA-N 427.456 4.692 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O3)CN(CCN(C)C)CO2 2322037219 LYPVNCFKCLPDAE-UHFFFAOYSA-N 433.335 4.632 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)N[C@H](C)c1ccccc1 2322485604 UCBZEXFZVHMMEM-LJQANCHMSA-N 445.515 4.856 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCC(=O)NCc1ccccc1 2322502260 RQMRQIFRYWSKCQ-UHFFFAOYSA-N 437.442 4.565 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)cc1 2323925216 VUUWHJPBXJZFDW-UHFFFAOYSA-N 441.480 4.858 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)c1OCCO 2324515685 LCMVTPIIJRHRCV-UHFFFAOYSA-N 425.308 4.976 30 10 IJEE CC(=O)Oc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 2326489579 NZIOHGQLCRSZTR-UHFFFAOYSA-N 435.336 4.993 30 10 IJEE CCOc1ccc(OCc2nnc(SC)n2N=Cc2ccc(Br)cc2)cc1 2326628140 CHYZTUASORAJQG-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(O)c(OCC)c1 2328559683 NENBQOGBUZANDO-UHFFFAOYSA-N 440.569 4.963 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(O)c(OCC)c1 2329662325 ZKTFOSLYIVFXNS-UHFFFAOYSA-N 428.583 4.780 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)COCCOC)c(OC)c2)cc1 2330849535 HOZBEIMHFLLPBQ-UHFFFAOYSA-N 426.509 4.502 30 10 IJEE CCCCc1nnc(SC)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2331312560 KWWCWYUYNZKIJW-UHFFFAOYSA-N 441.395 4.783 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 2331399908 MLOQAHRTIGRLSB-UHFFFAOYSA-N 445.427 4.790 30 10 IJEE CCCc1nnc(SCCCO)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331661659 XLSMKYLJTVJYIS-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2334262443 QVDFYRIBGYWWLL-LLINQDLYSA-N 439.405 4.701 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(COC)c1 2337143804 BHUXUVJUJSFOTO-MSOLQXFVSA-N 427.383 4.716 30 10 IJEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339586712 JQMKDKHMNLMBMV-KICKTSRDSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C[C@H]2C(=O)C#Cc2ccc(Br)cc2)C1 2360196343 OUWHKJZWKJLUSE-ZHALLVOQSA-N 432.358 4.653 30 10 IJEE CC#CCN(C[C@@H](Cc1cccc(Br)c1C)NCCC)C(=O)OC(C)(C)C 2363126538 WVCLFILEIZFQPH-LJQANCHMSA-N 437.422 4.929 30 10 IJEE Cc1cc(CNCC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676975 FXIABZXCRWCDGO-WIOPSUGQSA-N 448.460 4.542 30 10 IJEE O=C1ON=C(c2ccccc2F)/C1=C\Nc1ccc(Br)cc1Br 8781166 NGJXIVPJGSTGTN-DHZHZOJOSA-N 440.066 4.608 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 35457432 LOBGYVKKMRDOOQ-UHFFFAOYSA-N 438.575 4.804 30 10 IJEE C=CCc1ccc(OCCn2c(CCCNC(=O)C(C)C)nc3ccccc32)c(OC)c1 40204156 UDWUCJSORFGOSX-UHFFFAOYSA-N 435.568 4.557 30 10 IJEE CCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1CCc1ccc(OC)c(OC)c1 43225776 MTASMJPMZFPHRR-UHFFFAOYSA-N 431.536 4.647 30 10 IJEE O=C(/N=C(/NCc1cccnc1)Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 46127246 PNBWCRREZODMAB-UHFFFAOYSA-N 445.267 4.520 30 10 IJEE O=[N+]([O-])c1ccc2nc(/N=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)sc2c1 59382288 XJKQQBYSYPWJRQ-RGVLZGJSSA-N 449.477 4.675 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(OC)c1 59807947 GMRNNHXHSRJZDR-UHFFFAOYSA-N 428.945 4.914 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2nc(S[C@H](C)c3nnc(C4CCC4)o3)n[nH]2)cc1 59878869 JSIKKLKUWAWLJY-CYGNYLSHSA-N 440.577 4.601 30 10 IJEE CCCOc1cccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 102713449 IONJKZFYHXXRPP-RKKARLDVSA-N 432.476 4.707 30 10 IJEE O=c1c(Cl)c(N/N=C\c2ccccc2OCc2ccccc2)cnn1-c1ccccc1 169895052 MTBXKJGPHWIRSC-YSMPRRRNSA-N 430.895 4.911 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 169955065 ULHMQOMGOQEPEW-HSZRJFAPSA-N 441.487 4.605 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(O)cc2)c1 169959020 USBDHTGDSAFCAD-QHCPKHFHSA-N 443.455 4.521 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170094658 SYBNONSTBBPBSE-FQEVSTJZSA-N 436.851 4.674 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccccn2)cc1 170171045 GYIDUJOTEQVWBC-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccn2)cc1C 170172186 BAFHQIQXGKGFHY-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC)cc1 170215149 WOFIUNYYWFVVNB-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1cccc(F)c1 170270960 RPCNKPOLAZUDAV-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(C)o2)cc1 170301432 UYVOHFSXCRSHPX-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(Br)c2)o1 170402092 XJGDGDFVKYTHRL-SFHVURJKSA-N 439.265 4.528 30 10 IJEE C=C(CNCC)COc1c(Br)cc(Br)cc1Br 231505358 AWVIPUHTMHTYEU-UHFFFAOYSA-N 427.962 4.519 30 10 IJEE COc1ccccc1[C@H](NC(=O)c1cc(C#N)c(SC)nc1O)c1ccccc1Cl 439830496 OTQDIAUDFRBIFF-LJQANCHMSA-N 439.924 4.562 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 460550922 CSCULVHNWAGCIP-NOVUIFNWSA-N 426.561 4.904 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1 475562351 FTITXZYDZWHFOF-UHFFFAOYSA-N 437.584 4.905 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cc1 487917017 QWVDDTPGGYVIIO-QFIPXVFZSA-N 431.580 4.865 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccccc1 489642407 QOGQVHMJPKSGQD-RTBURBONSA-N 436.581 4.710 30 10 IJEE C=CCn1c(COc2ccccc2OCC)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 508460428 CMUZQCLZFXKOMU-SFHVURJKSA-N 438.494 4.857 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)cc(Cl)c1OC 526491952 PJWONFZAQGJSPJ-NRFANRHFSA-N 447.878 4.681 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnccn1 549274794 QDLJIBIJENLEBP-QGZVFWFLSA-N 426.952 4.691 30 10 IJEE CCOCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C)(C#N)CC1 549394451 HUZXAXVDJZFRPO-QGZVFWFLSA-N 427.618 4.688 30 10 IJEE CC1CCN(c2ccc(N(CC#N)S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 586242814 AAGGJACBFNSYJW-UHFFFAOYSA-N 438.380 4.949 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(N3CCCC3)cc2)cc1 586257250 XSNNIUCVJRCXRY-UHFFFAOYSA-N 427.570 4.573 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 610304473 IWOLXAQGVCLILX-RUZDIDTESA-N 436.515 4.585 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C2CCN(CC2)C12CC2 716097402 YEJYOKGMFZRSLM-OAQYLSRUSA-N 432.362 4.711 30 10 IJEE COc1cccc(N=C2S[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)c1 725444275 SJQILNZTCFUNLR-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)ccc2OC)[n+]2cc(O)ccc2C)c1 726572876 IPFQDLHPBZHPCQ-UHFFFAOYSA-O 431.537 4.610 30 10 IJEE Cc1csc(=Nc2ccc(C#N)c(Cl)c2)n1C1CCN(c2ccc(C#N)cn2)CC1 727252474 DSXSEQPFFABYCS-UHFFFAOYSA-N 434.956 4.724 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@@]3(CC=CCC3)C2)c1=S 733993266 ZEDYOFWWRUFKSB-URXFXBBRSA-N 438.597 4.892 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(Cc2ccccc2F)n1 735593709 NUXUYVZLKUVWLC-SFHVURJKSA-N 435.524 4.959 30 10 IJEE N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1nc(O)c2c3c(sc2n1)CCCC3 744016350 LKJJAODOBLTQRX-NWANDNLSSA-N 425.460 4.534 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CCc3ccc(C(C)=O)cc3CC2)c1=S 755773471 GUFFSFWAHVHHKP-UHFFFAOYSA-N 436.556 4.667 30 10 IJEE N#Cc1cc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c(Cl)c([N+](=O)[O-])c1 764306552 JZUMQPCDFRFHIA-UHFFFAOYSA-N 441.900 4.585 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 779166293 ZDFSAACGJPZHJY-LJQANCHMSA-N 448.954 4.707 30 10 IJEE Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)OCc1cc(Cl)ccc1OCC#N 782424307 ZWVSIWVIAARZLP-UHFFFAOYSA-N 437.905 4.711 30 10 IJEE C=C[C@@](C)(CCOC)COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 784617855 RANCPNGDKOFDNL-KRWDZBQOSA-N 434.270 4.594 30 10 IJEE O=C(OCCCCSc1n[nH]c(NN=Cc2ccccc2Cl)n1)c1ccccc1 1083972558 SIZNOOACZFPFMN-UHFFFAOYSA-N 429.933 4.633 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccs2)n1)N(c1ccccc1)c1ccccc1 1084036614 SVQFOLMMDRJMBX-UHFFFAOYSA-N 434.550 4.769 30 10 IJEE COc1ccc(Br)cc1C=NNc1nc(SCc2ccccc2C)n[nH]1 1084388521 GMARQWMIJAYSLZ-UHFFFAOYSA-N 432.347 4.623 30 10 IJEE COC(=O)c1ccc(O)c(N/C(=N/[C@H](C)CCc2ccccc2)N2C[C@@H](C)C[C@@H](C)C2)c1 1088665039 PNSQHKJHMSLHBI-HSALFYBXSA-N 437.584 4.946 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(-c3c(F)cccc3F)c2)cc1 1125156362 ZVKJTCDNCIVUOY-UHFFFAOYSA-N 442.487 4.691 30 10 IJEE CCn1c(NC(=O)c2cc(Cl)c(Br)cc2OC)nc2cc(C#N)ccc21 1127748731 HHNXALMQYDOEPT-UHFFFAOYSA-N 433.693 4.605 30 10 IJEE C=CCc1ccc(OCC(=O)N2Cc3cccc(Br)c3C[C@H]2CC)c(OC)c1 1128396730 PHESUHVXLMNFED-GOSISDBHSA-N 444.369 4.929 30 10 IJEE C=CCCCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1128603988 KNMFAABRBPBDKS-SQJMNOBHSA-N 436.552 4.579 30 10 IJEE COC(=O)c1cc2cc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)ccc2s1 1134750634 HSLAHWRFCLINQX-UHFFFAOYSA-N 430.489 4.717 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 1142940049 LHYMFPOJGRAHRW-HKUYNNGSSA-N 446.979 4.756 30 10 IJEE C#CCN(Cc1nnc(-c2ccccc2)s1)[C@@H]1CCOc2ccc(Br)cc21 1167421255 RCXHNJVGJVZOAK-GOSISDBHSA-N 440.366 4.927 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 1185373219 HGSDKWRYDNSZQE-FQEVSTJZSA-N 445.313 4.528 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)cc(C)c2C)CCCC1(C)C 1196598873 CRDVQEVQPMZVRP-NRFANRHFSA-N 435.634 4.933 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2CC)cc1 1200401954 ABABAPISYYNHIM-QFIPXVFZSA-N 437.540 4.649 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2nc3c(s2)C[C@@H](C(C)C)CC3)cc1C#N 1220327493 GSSUSZBDVRDLKS-ZDUSSCGKSA-N 427.530 4.988 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1233928505 QUKBFYYZIHPKNY-IFMALSPDSA-N 448.485 4.895 30 10 IJEE Cc1ccc(C2(CNC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)CCCC2)c(C)c1 1251502155 CKZOUYRRZQUPNK-UHFFFAOYSA-N 444.623 4.904 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1252478837 GGDIIQNYMIIIMZ-HYBUGGRVSA-N 444.934 4.752 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1 1264609405 QUQPPFXSHZHLLP-QZTJIDSGSA-N 439.364 4.542 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 1273110569 OEWFQLPIYRANPF-UHFFFAOYSA-N 443.890 4.999 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CC(C)C)CC1 1286419171 XZXJNZBLJHDCII-UHFFFAOYSA-N 426.568 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H]1CCCn2cc(C)nc21 1286454026 FCBCZCNVECYMJJ-GHTZIAJQSA-N 434.563 4.653 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCc1nccs1 1286458396 SOIWQJFJWCDQAF-UHFFFAOYSA-N 425.577 4.735 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(C)s1 1286550418 IBURFGOGUZAZCQ-RBBKRZOGSA-N 433.581 4.804 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2[C@H]1CC 1286603773 KQPKTXLZTIKNIL-OAQYLSRUSA-N 433.581 4.985 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286610759 AKYZIMXCRVPWGK-KRWDZBQOSA-N 437.009 4.821 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1286698777 HAZXPPWQPUYNTA-FQEVSTJZSA-N 449.521 4.831 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H](OC)[C@@H](C)CC)C1CC1 1286732850 GFKVYGZLVSHRIX-KXBFYZLASA-N 433.394 4.924 30 10 IJEE C=CCN(c1nnc(-c2cnccn2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1)C1CC1 1286733504 BEAUKZRVPCSPFH-SFHVURJKSA-N 432.425 4.511 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)N[C@@H](C)CC)C1CC1 1286735055 MCTBUMSYWOQCBG-KRWDZBQOSA-N 441.645 4.735 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(N(C)C)CCCC1)C1CC1 1286735204 QNHCGCWVHJJSID-UHFFFAOYSA-N 429.996 4.636 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1ccc2c(n1)CCCC2 1286743133 VVCKKQZVKPUOAL-UHFFFAOYSA-N 440.595 4.962 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1286744519 IJACSESUJDCKKN-RCZVLFRGSA-N 447.558 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cc(C)oc1C 1286747897 OTVDKIVZQHWVOB-QHCPKHFHSA-N 437.569 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1OC 1286749064 JDISKOJLPCZHAY-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)C(F)(F)F 1286768781 HKXBVSHIVWNWME-UHFFFAOYSA-N 435.494 4.578 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CCOCC1 1288505894 DAWICCJAOJUIKY-QGZVFWFLSA-N 427.618 4.831 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC#N)CC1 1291386895 DKJBHZXXOTXVNP-QMHKHESXSA-N 445.995 4.534 30 10 IJEE C=C[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1294989594 YWALAGZTRHELSY-SIBVEZHUSA-N 440.543 4.827 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1296896525 BEKVKJJPAWHVCR-SFHVURJKSA-N 430.556 4.531 30 10 IJEE N#CCc1cccc(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)c1 1298027122 ZUUYSHULSZHCBG-UHFFFAOYSA-N 438.578 4.604 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cnc(C)s1 1300393076 BOQBXQXWPCOAFY-HNNXBMFYSA-N 425.627 4.946 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1300476157 YHFWKJZDRVJVKK-ZBFHGGJFSA-N 426.870 4.874 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(OC)C1CC1 1300602739 IRNHLJFTCKLHIT-AREMUKBSSA-N 431.584 4.627 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1300742836 BVUDYOBFHNPXDO-KBXCAEBGSA-N 449.393 4.592 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2sccc2[C@H]1CC 1300767334 VFJTYXBEFVMNEM-GOSISDBHSA-N 428.652 4.872 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1csc(CC)n1 1300909171 MWADIXCSHGUAAS-UHFFFAOYSA-N 433.585 4.600 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN(CC)CCC)CC1 1301065229 CQYXDNPRJXLVAQ-QFIPXVFZSA-N 425.621 4.923 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 1301106875 XMVGHIAKVDNLIT-QHCPKHFHSA-N 437.632 4.824 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CC)C1)c1ccccc1 1301165026 YWGKXIGNTRKMEV-LEWJYISDSA-N 437.975 4.969 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1NC(=O)CC1(C)C 1301167532 AYZJAOFOJRAGMI-IBGZPJMESA-N 429.996 4.696 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1301241012 LCAWWPXRWIUTAK-HOTGVXAUSA-N 449.368 4.674 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1301331270 ICVSYYHBHZFXNQ-JOCHJYFZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H](c1ccco1)N(C)C 1301339521 PCHLBXCNQRTRBB-JOCHJYFZSA-N 430.556 4.506 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC1CCN(CCC)CC1 1301362352 DCBIMHJOOBRTRD-JOCHJYFZSA-N 443.661 4.896 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)(N(C)C)C1 1304982366 AGMYRXZSARHEJY-AJTFRIOCSA-N 448.659 4.704 30 10 IJEE CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 1306263241 HCGWKQBIFCPOSK-UHFFFAOYSA-N 436.515 4.872 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(c3ccc(C#N)c(Br)c3F)C2)C1 1307133669 IXIKAJMHJKYKGJ-FQEVSTJZSA-N 438.341 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)Nc3cccc(CC#N)c3)C2)C1 1310750369 BYMDSSOTENWDKJ-WOJBJXKFSA-N 426.561 4.644 30 10 IJEE C#CCN(C(=O)NCc1ccc(Br)c(F)c1F)[C@H]1CCCc2ccccc21 1313110396 NXHMJMPIISIPCM-SFHVURJKSA-N 433.296 4.950 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(CC)s2)cc1OC 1314163906 DNLLIKPEKKYHNA-INIZCTEOSA-N 439.585 4.763 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCO[C@H](C(C)C)C1)c1ccc2c(c1)OCO2 1347908542 COISVIPYJLNOLK-CYFREDJKSA-N 437.536 4.965 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(CCC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1348921849 KPQKAVOUWUPNMT-CQSZACIVSA-N 438.380 4.894 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(Oc3cccc(OC)c3)cn2)cc(OC)c1OC 1351766085 BWRPOHSQAZCLKY-UHFFFAOYSA-N 434.492 4.558 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1Cl 1352618015 DKBBUDOJZYNOJV-UHFFFAOYSA-N 441.821 4.651 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)c1 1358007016 JMMORVJOSJJPTR-UHFFFAOYSA-N 440.450 4.877 30 10 IJEE C=CCc1cc(CNC(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)cc(OC)c1OC 1358048871 GHZSJHSFLWSAQS-UHFFFAOYSA-N 431.573 4.731 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCSc1nccs1 1358872420 ULECCLQOKCJCAM-HZPDHXFCSA-N 445.589 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnc(C)s1 1358872744 YJKJUNXPZLRFNN-HZPDHXFCSA-N 444.004 4.959 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(-c2ccsc2)nc1 1358879955 BJRUWLQRUFOEDX-QGZVFWFLSA-N 429.549 4.583 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@](C)(O)c1ccccc1 1359003160 AOQYKQFNWIORGU-AFMDSPMNSA-N 448.636 4.889 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2sccc2c1 1359106788 QXVWLPMOVGNQDO-UHFFFAOYSA-N 425.602 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCOCc1ccccc1 1359108604 VBXSRKMIUZUNDS-UHFFFAOYSA-N 444.377 4.655 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2Cc2ccnc(SC)c2)CC1 1359182036 PTPBZEDOMCVTIM-UHFFFAOYSA-N 439.560 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1359186912 XCDWHZLPOABPQR-UHFFFAOYSA-N 434.588 4.601 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359212409 KXVBZGZZJNMNAD-ICSRJNTNSA-N 425.577 4.651 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC(F)C1 1359215623 GFGJGTPCQLBMQY-UHFFFAOYSA-N 435.588 4.543 30 10 IJEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1359232357 SFZGVVDGJPHAJC-PMAPCBKXSA-N 430.980 4.713 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CC1CCN(Cc2cccs2)CC1 1359259822 JLMCAXNHLKVXIQ-UHFFFAOYSA-N 439.604 4.892 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1436277621 BMCCPPSJDZCXRZ-OAQYLSRUSA-N 425.532 4.945 30 10 IJEE C#CC[C@]1(C(=O)N(C)[C@H](CCc2ccccc2)C(F)F)CCCN1C(=O)OC(C)(C)C 1438194736 WUOIXDZEUIXWHA-NTKDMRAZSA-N 434.527 4.504 30 10 IJEE C=CCc1cc(C(=O)OCc2cc(F)c(Br)cc2F)cc(OC)c1OC 1438518266 JMJWROXEKRBIDG-UHFFFAOYSA-N 427.241 4.830 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)c1 1441760813 ACPVDSVKMDYICJ-PMACEKPBSA-N 431.561 4.649 30 10 IJEE CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)nc2ccccc21 1442462050 FNEAVXSZNJUZSW-UHFFFAOYSA-N 429.505 4.846 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 1453001268 WNPVRYULNGYZPF-INIZCTEOSA-N 431.330 4.652 30 10 IJEE O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1455646770 BBXUEWNZVJOYNY-UHFFFAOYSA-N 436.327 4.942 30 10 IJEE Cc1cccc(C)c1OC[C@H](O)CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1466273251 HUFATTUSYVCUAL-OAQYLSRUSA-N 431.492 4.529 30 10 IJEE CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2scc(C(C)(C)C)c2C#N)n1 1466647948 CNVRVESXOASKFU-OAHLLOKOSA-N 432.571 4.919 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(c2ccc(Br)cc2)CCC1 1468176621 MNTZXWAKHGUJFG-UHFFFAOYSA-N 429.333 4.855 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)c1ccc(Br)cc1 1468537229 LGPSQFTZNOOXCF-QFBILLFUSA-N 425.330 4.696 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3C[C@H](c4ccccc4Cl)C3)CC2)c1 1478692406 HIFGYHQBWHCALR-KESTWPANSA-N 436.943 4.518 30 10 IJEE Cc1ccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(CCC#N)CC2CC2)cc1 1492294018 GGRDCHNCZQVIDX-HXUWFJFHSA-N 430.556 4.555 30 10 IJEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC(C)(C)C1)C1CCCCC1 1503378902 GXJZIWMPNZFRTJ-QHCPKHFHSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC1CC(OC(C)(C)C)C1 1507518754 CITVEDDPQHWNJC-JSOIOWGOSA-N 446.599 4.777 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1cc(Br)ccc1F 1507540486 HBAYJTSWQCISNC-CQSZACIVSA-N 447.377 4.533 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCSC1 1507557431 WWUWSPZJQBRSPM-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC1CCCC1 1507645242 VSSFINLJZFZAQA-LJQANCHMSA-N 436.625 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](OC)C(C)(C)C 1507663903 MPDKFNFXPRYSJD-IBGZPJMESA-N 433.383 4.776 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(Cc1cccc(F)c1)C(C)C 1507755709 QAFFZIWUCFTOQO-UHFFFAOYSA-N 428.602 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC=CCC1 1507793507 ASYAREQMYDLJOH-KXBFYZLASA-N 447.352 4.594 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507827560 REJNSDCRUQQHHM-OAHLLOKOSA-N 436.387 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1507920046 ULWNGDCHYLQPNZ-MSOLQXFVSA-N 430.618 4.798 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1507930009 XKWOUOHLHNZSOH-XLIONFOSSA-N 429.996 4.843 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)cc1 1507968644 WKBXYKGNZLLSNT-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@@](C)(CC)O1 1507997780 FVBKJCJLAWXMQW-SQJMNOBHSA-N 435.572 4.822 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)C(C)C 1508025779 BYYLHRALSNCWHO-VWLOTQADSA-N 433.556 4.662 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCCC1 1508036398 BLRANAKQENONJI-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CC[C@]1(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)CCCN1C(=O)OC(C)(C)C 1516974991 GUDFKUKMJFDBAH-OAQYLSRUSA-N 440.462 4.777 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccc(C(F)(F)F)cc1 1519590972 ZVUBEBBGZZJAIW-SFHVURJKSA-N 445.416 4.828 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)cc1C#N 1522382150 CASMJKZHGIMOIY-UHFFFAOYSA-N 440.565 4.851 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1OC 1523394992 DYHHJIJPBMRWPB-LECLMCCNSA-N 446.469 4.687 30 10 IJEE C=CC(C)(C)CC(=O)O[C@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(OC)cc1 1523581620 NWXZRXCTQVXTAG-MBSDFSHPSA-N 445.581 4.591 30 10 IJEE Cc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)NCC(F)(F)F)cc1F 1527188816 CSAZCHFPDHNRCB-UHFFFAOYSA-N 438.299 4.577 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CC)[C@@H]2C)c1 1529575816 SWZUNXYBTRDAMA-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE C#CCN(C(=O)c1ccccc1OC1CC1)[C@@H]1CCOc2ccc(Br)cc21 1531554004 RRYBGAJGJASBMF-LJQANCHMSA-N 426.310 4.590 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccc(Cl)cc1F 1535504277 AKIJMZGDUKGHJF-KBXCAEBGSA-N 427.932 4.796 30 10 IJEE O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 1536962197 GYJRJZCWQJQSCD-JKSUJKDBSA-N 434.311 4.757 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](C)c1ccc(I)cc1)c1ccccc1 1537453315 WDRPXXWIBXBXPW-LFVRLGFBSA-N 439.318 4.634 30 10 IJEE C=CCC1(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCC1 1538911802 WGCRDKHZVMNFQC-UHFFFAOYSA-N 444.553 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccc(F)cc1 1538971424 ATCCUJXKMIOEQQ-CQSZACIVSA-N 444.352 4.611 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(Br)cnc1Br)c1ccc(F)c(F)c1 1538995841 JULSBGYNEGHDSY-CQSZACIVSA-N 446.089 4.932 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@@H](SC)C1 1539048971 AZTWEQGDIHJJKM-HXUWFJFHSA-N 434.613 4.861 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[C@@H](C)C1 1539359686 OGOLSQQVNIVJKG-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1539371211 QQFFVJFOECGOTE-HUUCEWRRSA-N 426.433 4.900 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCSc1nccs1 1539384372 FVGQOAFVBOXURJ-UHFFFAOYSA-N 443.617 4.993 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC[C@@H](C)N1CCCCC1 1539384477 IXLARKSUUXUPIT-HXUWFJFHSA-N 449.574 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC(C)(C)[C@H]1C 1539623187 KQKPKGSCAUSNEG-GUXCAODWSA-N 448.970 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCNC(=O)C(C)C 1539652443 TYGVKEAIBTYDSX-UHFFFAOYSA-N 448.615 4.527 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1539694486 AENYNMMQQNGPLJ-IBGZPJMESA-N 448.571 4.515 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(Cl)c2C)CC1 1539870986 FPYIMAYBSXZURN-UHFFFAOYSA-N 429.996 4.609 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)c1ccccc1 1539947494 KIERYAAYMCPKLN-DHIUTWEWSA-N 437.632 4.578 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1539983558 ZKKKZLURYRRAQE-QFIPXVFZSA-N 434.563 4.647 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)(C)C)CC1 1540014374 NPVSUYGUMAGYSP-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@H]1CC 1540028214 AVUQYFMJWRBZMV-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCCC2)CC1 1540911319 WLXXXKCSEVISMU-UHFFFAOYSA-N 432.037 4.582 30 10 IJEE C=CC1(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CN(C(=O)OC(C)(C)C)C1 1542412427 ZWMSXVSBACOPLS-UHFFFAOYSA-N 441.616 4.885 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 1543361020 PVEYPPHHAMKMEG-QGZVFWFLSA-N 437.968 4.954 30 10 IJEE C#CCCCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1545733152 VDHBIALDLBFRAY-XMMPIXPASA-N 432.564 4.860 30 10 IJEE C#CCN(C(=O)NC[C@@H](Cc1ccccc1)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1564593058 YWBZOFCKQUALMQ-JOCHJYFZSA-N 441.616 4.546 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)c1ccc(Cl)cc1F 1564667497 AGQKJFYZIFTNGU-OALUTQOASA-N 437.943 4.536 30 10 IJEE C=CCOc1ccc(CC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 1565690040 VUVPFPBKHRNAGK-UHFFFAOYSA-N 433.379 4.882 30 10 IJEE C=CCC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)CCCC1 1587304827 POGRHQXTDUHEPI-KRWDZBQOSA-N 439.021 4.627 30 10 IJEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCSC(CC)(CC)C1 1587787351 KDZRTNPVZVPHNA-UHFFFAOYSA-N 430.593 4.912 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)cc1OC 1587820451 UHCGWSILCPKKKJ-PKNBQFBNSA-N 447.453 4.873 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)C(F)(F)F 1588205488 NMCHDBLTBDAAQI-UHFFFAOYSA-N 425.458 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)Cc1cccs1 1588245708 OGPSFMUVDRLBBP-OAQYLSRUSA-N 441.604 4.684 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC)CCC 1589496740 ZIKYWWLTMOEUQF-NFBKMPQASA-N 434.588 4.943 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCOCC2(CC2)C1)C(C)C 1595166626 WFDRRGCMRVGESF-DEOSSOPVSA-N 449.643 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCc1nccs1 1595184813 CSUHSOKZZCWMBQ-UHFFFAOYSA-N 448.365 4.724 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)cc(OC)c1OC 1598110871 IFIPWRXRVBOFBF-UHFFFAOYSA-N 446.547 4.953 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@@H](CN3CCCC3)c3ccccc3)cc2)c1 1611406249 DYRYCYKIWMUWGA-SANMLTNESA-N 425.532 4.955 30 10 IJEE Cc1cc(SCC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)ccc1C#N 1614552703 CAKMVXYBYRVXHI-UHFFFAOYSA-N 440.521 4.569 30 10 IJEE Cc1ccc(/N=C2/C(=O)N(CN3CCN(c4ccc(F)cc4)CC3)c3ccccc32)cc1C 1615021766 QEDVSEREFNXWIS-PBBVDAKRSA-N 442.538 4.690 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1617227056 IBELCZQTWXMGCZ-NLFFAJNJSA-N 433.508 4.936 30 10 IJEE C#CCOc1ccc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1617273098 OWKNSPFPOJTOBA-UHFFFAOYSA-N 440.499 4.566 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 1627263940 DJVXJHSNTYFULE-RUZDIDTESA-N 429.520 4.684 30 10 IJEE C#CCN(C(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1631808467 GYNIDXMIXYOLHO-FQEVSTJZSA-N 444.575 4.956 30 10 IJEE C=CCCC[C@@H](C)NC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1632683056 KOUNIMSYSLYWOR-VGSWGCGISA-N 443.385 4.710 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 1635007208 LEERBBUDWSSXND-UHFFFAOYSA-N 436.899 4.874 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 1635132205 BRNRXFZPZJPGDW-UHFFFAOYSA-N 434.602 4.501 30 10 IJEE C#CCOc1ccc(CNC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 1635494491 IYACBRWOTOHFAX-UHFFFAOYSA-N 444.531 4.628 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C 1635753373 TYLKVEGGIGKBKQ-UHFFFAOYSA-N 425.602 4.629 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 1635787533 JSZXSXLNICJAJG-QHCPKHFHSA-N 435.568 4.878 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@@]3(CO)CC(C)C)c2C#N)C1 1642956052 GHEIMUQMSPKBOB-BVZFJXPGSA-N 445.673 4.972 30 10 IJEE CO[C@@H](CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)Cc1ccccc1 1643586268 DILOIFQDUHYKQM-OAQYLSRUSA-N 427.529 4.607 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 1644659110 LYSOYIPVQNXBCK-OAHLLOKOSA-N 433.763 4.914 30 10 IJEE CCn1c(SCc2ccc(C#N)cc2OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651648108 FHFARLGPOIHBHD-CYBMUJFWSA-N 425.579 4.775 30 10 IJEE C#Cc1cccc(N(CC)CC(=O)Nc2c(C(=O)OCC)sc3nc(C)cc(C)c23)c1 1653762144 PESBVFVRYLTAIF-UHFFFAOYSA-N 435.549 4.536 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCc3cn(C(C)C)nc32)cc1OC 1655974633 UCWRPAKQWXAMEN-SFHVURJKSA-N 434.378 4.967 30 10 IJEE CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCC2 1656111841 GFSATMWXICVWFF-UHFFFAOYSA-N 447.516 4.609 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2ccccc2C#N)c2ccc(C(F)(F)F)cc2)cc1 1662444133 FSXYUGHNRRXWJZ-OAQYLSRUSA-N 446.450 4.654 30 10 IJEE C#Cc1ccc(CNc2cc(Br)cc(I)c2C)cc1 1662995405 NJXPJPNPQUQNIU-UHFFFAOYSA-N 426.095 4.956 30 10 IJEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H](c2ccccc2)C1 1663837349 FNPBYBIIZHDKHV-POZUXBRTSA-N 433.371 4.571 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(F)cc1 1665946166 SDDONZCEFPAKKN-XZOQPEGZSA-N 433.552 4.660 30 10 IJEE CC(C)CCN(CCC#N)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 1669221771 GZTUZIFLZVHXLD-UHFFFAOYSA-N 437.260 4.579 30 10 IJEE CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1671555819 IAOOIHHOQYWOCM-OALUTQOASA-N 448.567 4.842 30 10 IJEE CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1671555820 IAOOIHHOQYWOCM-RBUKOAKNSA-N 448.567 4.842 30 10 IJEE C=C(C)CS(=O)(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1671630812 VDJAZIGCMJUYOK-UHFFFAOYSA-N 428.323 4.718 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(CN2CCCC2)cc1 1672708223 HUOLUEQEBANUIB-UHFFFAOYSA-N 444.373 4.931 30 10 IJEE C#CCN(C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCCc2ccccc21 1676605642 JEURXNRSKCKPFQ-BERHBOFZSA-N 445.607 4.518 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)c1ccccc1 1677975918 ADQPQKICIVONGK-QFIPXVFZSA-N 433.533 4.600 30 10 IJEE Cc1cc(NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c(C#N)cc1N(C)C 1678199149 AMDNPKRRRQNPPX-IBGZPJMESA-N 443.954 4.511 30 10 IJEE C#C[C@H](NC(=O)NCc1nc2cc(Br)ccc2n1CC)c1ccc(Cl)cc1 1682139878 OPGPBILZTLOSOS-INIZCTEOSA-N 445.748 4.646 30 10 IJEE C#CCN(C(=O)NC[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1682273146 IUPYFECCQZVYML-YFVAEKQCSA-N 439.353 4.721 30 10 IJEE C=CCC1(CNC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)CCCC1 1682311566 INKJNSBRMHAHEV-UHFFFAOYSA-N 435.366 4.587 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccnc(SC)c1 1689841308 DLDMFNRHGSASDS-LJQANCHMSA-N 449.624 4.993 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C(C)C)N1CCCC1 1690059261 MTDFIUIIBBXNDR-PKTZIBPZSA-N 437.632 4.615 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1690157292 CRSKDPKFZMLPDZ-XUVXKRRUSA-N 442.604 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H](C(C)C)N1CCCC1 1690214305 DVZGUHVFFWXNBT-YIXXDRMTSA-N 449.643 4.532 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCCCO 1690221871 BDLCTYMPQPUUJY-UHFFFAOYSA-N 435.410 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCC2)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1690263504 DIUKBWPGJIOUPO-IBGZPJMESA-N 429.609 4.738 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2ccsc2)CC1)c1ccccc1 1690321413 AYICTTQTFKHVRA-LJQANCHMSA-N 449.624 4.919 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)C1 1690332481 BFKCHBDDKCFZCP-LLVKDONJSA-N 431.762 4.541 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(C(F)(F)F)CC1 1690341616 PNTODOBHZKHTSY-UHFFFAOYSA-N 434.853 4.582 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ncccc2N(C)C)CC1 1690404844 UWAHXLYSQRGVFB-UHFFFAOYSA-N 440.954 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1690419791 BJQQABQBJDFQFW-MJGOQNOKSA-N 440.588 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1CCOC1 1690422420 ODWZUZCITGLHJM-OAHLLOKOSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1690436423 RCJKEPYMYRHGPO-UHFFFAOYSA-N 431.625 4.574 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1690469047 BUBCUHYEYYDHJQ-WOJBJXKFSA-N 448.514 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1Cc1c(C)noc1C 1690586218 HKIYSIWVVCSLSS-UHFFFAOYSA-N 446.324 4.678 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)S[C@H](C)C1 1690683645 QFYYYMHMWNZFGW-RTBURBONSA-N 426.630 4.954 30 10 IJEE CCOCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1696216400 CUBDNPKJOSINGM-MHECFPHRSA-N 443.567 4.750 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OCCC)CC1 1705528752 QPKSZKZOLJNOTG-GOSISDBHSA-N 445.405 4.907 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705726227 ZLDNKDNGKZJBSU-KRWDZBQOSA-N 445.995 4.544 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1705760579 MSDVTXKEXIDZSZ-HXUWFJFHSA-N 443.350 4.500 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nc(C)c(C)s2)CC1 1705765483 OFAZQPCHRSYVRN-UHFFFAOYSA-N 429.977 4.885 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)CC1 1705772463 UOVGYUKKRVNDND-INIZCTEOSA-N 425.524 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)C[C@@H]1CCCO1 1705787294 NSBFCTMSSNOHLZ-NRFANRHFSA-N 439.604 4.755 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C1Cc2ccccc2C1 1705813214 ZPZDVPUUKYJBMN-UHFFFAOYSA-N 440.389 4.616 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]1CC 1705827911 VDXWVBCJOYYPTJ-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CC(=O)Nc1ccc(F)cc1 1705863905 KKTDLNHGDNWKLC-INIZCTEOSA-N 427.549 4.824 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C2CCCC2)CC1 1705886692 DBZORAYDERSFLY-SFHVURJKSA-N 429.996 4.712 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(CCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)(N(C)C)C1 1708027043 GVMPGCQKGYXOFG-GDKKVTFASA-N 448.659 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCC(C)(C)COC 1722278900 NORBWZAJJOPOFE-INIZCTEOSA-N 433.394 4.618 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC(C)(C)N1CCCCC1 1722417670 OWYPHFIIGXIBGM-FQEVSTJZSA-N 425.596 4.835 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722491876 OPYIAQKWNMVSEZ-WIYYLYMNSA-N 445.007 4.524 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1722494619 QUGQZLICNIBXFW-NIKGAXFTSA-N 447.377 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1N(C)CCCC1(C)C 1722517795 YXMSHYVYQPYNTH-OAQYLSRUSA-N 429.584 4.519 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CCC(OC)CC2)CC1 1722560430 ZIJBQTOWRMUPFC-LWEYNCJUSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](CN2CCCCC2)C1 1722586875 DDVFCQVXWCPHAT-OAQYLSRUSA-N 437.632 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1722587850 CDQRDZGGTHWMRN-NRFANRHFSA-N 447.023 4.755 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](COCC)C1 1722612099 PVQYBAGWOZHQPM-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1722655370 KUPZNKHYEYRWRP-ROSOWXQZSA-N 449.599 4.584 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CCCO1 1722660740 FMSLRVRRHPCDKM-HSZRJFAPSA-N 441.576 4.535 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cnn(C)c1 1722661436 FMGPZUJZXPZOHB-QFIPXVFZSA-N 432.597 4.856 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)COC)C1 1722719126 XMSKQGBQPUWDNN-MRXNPFEDSA-N 439.387 4.706 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1723235548 CWIWTUQIOKULAF-UTKZUKDTSA-N 445.970 4.929 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CCn1c(C(C)C)nnc1N1CCC[C@](C)(C#N)C1 1724146417 CIJLBJVPLRGENE-JOCHJYFZSA-N 428.968 4.522 30 10 IJEE Cc1csc([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC(CC#N)CC2)n1 1725033905 ARDGWQNMKLBMGF-MRXNPFEDSA-N 438.576 4.707 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@](F)(C#N)C1 1728072498 CIZRDIRNNUOYPX-JPYJTQIMSA-N 444.986 4.695 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H]1CCCCO1 1740584971 MMIMGYISPQTYLC-FQEVSTJZSA-N 435.597 4.796 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1sc(C)nc1C 1740600508 OHTUZDVJGPNDGF-UHFFFAOYSA-N 430.581 4.544 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740676038 OZTKUNFJBLAQSM-OYRHEFFESA-N 439.623 4.937 30 10 IJEE C=C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCSCC(F)(F)F)CC1 1740828308 GABUKAUSQDGWRP-UHFFFAOYSA-N 435.519 4.802 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@]1(O)CCCC1(C)C 1740919341 CKDHNFVPUJZKJX-RUZDIDTESA-N 435.547 4.613 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(C)c1ccccc1 1740923670 RJJIWLQEMAJXLL-WOJBJXKFSA-N 437.613 4.561 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCSC[C@H]1C)C(C)C 1740926795 LBPHBSYHBYQMRB-IFMALSPDSA-N 425.646 4.585 30 10 IJEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1746405913 FFAQCGSCRXIZFB-GOSISDBHSA-N 441.004 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1749058662 NVWPBPVELVRCMB-XLNZFTOWSA-N 426.008 4.711 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCC(C)CC1 1749252726 FVHFHMNBZGBYFJ-UHFFFAOYSA-N 426.790 4.814 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCOCC1CC1 1749257307 NIJNSDWGXXSEHT-UHFFFAOYSA-N 439.785 4.631 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1749268857 IIQBIAZGDKEPFK-PWRODBHTSA-N 430.980 4.529 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1749331125 VLTHESQWDQZYCJ-WMZOPIPTSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC[C@@H](C)N2CCCCC2)CC1 1749347337 NUJIENQZXJMPAG-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1749366405 FIPMYEZNMACSNQ-LJQANCHMSA-N 439.560 4.852 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1CC 1749398579 LHFZPVOKCKOCHU-RXVVDRJESA-N 434.588 4.656 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1749400673 KCRGVMXZEGSUIR-UHFFFAOYSA-N 437.632 4.930 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C 1749400717 LEKUALRWUQXHLE-VQTJNVASSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1749404074 QTHOMANZINWGBZ-FQEVSTJZSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749418166 YYZKTGPTXQRBJJ-QGZVFWFLSA-N 427.911 4.757 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CC(C)(C)OC(C)(C)C1 1749438293 UFEMVWWTLUHBKO-UHFFFAOYSA-N 428.577 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC(C)CC1 1749467223 KCTBPKPIUMAUJR-UHFFFAOYSA-N 432.616 4.936 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1Cc1cnccc1OC 1749544496 IUTITBLEZRLDSQ-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C 1749575553 TXIDZYMIGGJSAU-IBGZPJMESA-N 447.624 4.591 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1N(C)CCCC1(C)C 1751090312 ASKZTUIMNONKCW-HNAYVOBHSA-N 432.975 4.596 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1760141310 PUZCXGRNFQYCTQ-NTKDMRAZSA-N 446.599 4.539 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1Cc1cscc1C(F)(F)F 1760237559 NBBVHFCDDXQSAD-UHFFFAOYSA-N 434.487 4.754 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760331474 IQXOOLILEIHBDA-IBGZPJMESA-N 427.593 4.851 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N(C)Cc1cc(Cl)ccn1 1760348405 QZLWVRWDYFKYRZ-UHFFFAOYSA-N 427.936 4.517 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1760350967 XXMKYXNOQWQUTC-NQIIRXRSSA-N 448.608 4.728 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC(CN2CCCCCC2)CC1 1760353256 LPFLMHVATARMCD-UHFFFAOYSA-N 437.632 4.630 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC[C@H]2CCCO2)CC1 1760403102 GKAZOHKXZTYBLY-JOCHJYFZSA-N 445.007 4.510 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2nccnc2C)CC1 1760406066 QOHQWWXTDPEODK-UHFFFAOYSA-N 434.613 4.622 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(C(F)(F)F)cc1 1760419081 HMIJKBMPIDVSTK-UHFFFAOYSA-N 430.478 4.985 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C2CCCC2)CC1 1760433973 XOFIBZHMKPSCFL-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C(CC)CC)no1 1760454980 XNMUTLZLMUCUKB-UHFFFAOYSA-N 447.381 4.608 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCOC[C@@H]1C 1760478706 PKEAXTSJPBLSOI-REWPJTCUSA-N 438.616 4.885 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C)CCCC1 1760494263 LBNKGYQVJIXCTM-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C(C)C)CC2)C1 1760536193 DXFKDILCZIZIAW-IBGZPJMESA-N 445.405 4.925 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)cc1 1862389632 JWPOXFAQCAVQEM-DEOSSOPVSA-N 434.580 4.868 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 1862412411 DKYWTKYPXVICBA-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OCC)c(OCC)c1 1862422609 IVYDIZQCNMHZEX-OAQYLSRUSA-N 445.462 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1Cl 1862435390 VGROORPGSWCNGJ-NRFANRHFSA-N 439.895 4.632 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(=O)O)cc1 1862459033 ASTQPTKKEWTXDX-LJQANCHMSA-N 447.409 4.571 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862511419 LCZGSYDESFTRDY-NRFANRHFSA-N 427.472 4.528 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(=O)OC)cc1 1862548858 AYKIHMMXSDZEQI-HSZRJFAPSA-N 447.531 4.730 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862558782 ZHZHJFANHIYNJC-JOCHJYFZSA-N 447.491 4.646 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2c(F)cccc2Cl)cc1 1862620288 PAOIFGVNYGXTGD-FQEVSTJZSA-N 445.918 4.737 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CC(C)C)cc1 1862643932 YWPRTAJRHCARTP-JOCHJYFZSA-N 441.499 4.857 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1Br 1862681297 XCRLBASXAZOIQT-XIKOKIGWSA-N 432.289 4.965 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862725803 SEGKNSVLOJJZCO-QHCPKHFHSA-N 449.453 4.857 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)c(C)c2)C1=O 1863085453 OUGJNIHUPHNEMN-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2F)C1=O 1863320745 GLWGOAXBKCBZES-OAHLLOKOSA-N 429.426 4.790 30 10 IJEE CCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCCCC)C1=O 1863544222 PJLZZJCPGIMKEJ-UHFFFAOYSA-N 427.589 4.865 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(C[C@@H](C)O)C1=O 1863684515 FSSPNASHHIDLPG-HXUWFJFHSA-N 444.616 4.666 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN([C@H](C)c3cccs3)CC2)nc(C(C)(C)C)n1 1869192883 WHLVJGHLQJFGSN-LJQANCHMSA-N 425.646 4.897 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(OC)c(F)c2)cn1CCC(C)C 1870383194 VHSPRWFVYDCLED-UHFFFAOYSA-N 428.548 4.795 30 10 IJEE C=CCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1CN(CC)CCCC 1870588704 UILJBBKSRLLLCU-UHFFFAOYSA-N 446.975 4.755 30 10 IJEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C[C@@H]3COc5ccccc5O3)C4)C2=O)o1 1871359395 NMSMHNKIQSMTCA-LMYHHNOQSA-N 445.471 4.505 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)C1CC1 1872015871 HXRUWHSSPCIZHQ-QFIPXVFZSA-N 426.582 4.644 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872505863 ZAULWENQQVPRFB-QHCPKHFHSA-N 428.598 4.760 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(F)cc1 1872570428 OANLOELAQDFPCE-JOCHJYFZSA-N 448.560 4.517 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CC 1872581126 SFTWRVAQFHQFHG-JOCHJYFZSA-N 437.650 4.566 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCC)NS(=O)(=O)c1ccc(OCC)cc1 1872612923 IWHKWASSRIQNMB-QFIPXVFZSA-N 440.650 4.789 30 10 IJEE COc1cccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 1872762474 NWOBMMQWQYADHS-LDQXTDLNSA-N 445.544 4.605 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc(OC)c1OC 1872764858 ZYSKCGOXKRUROD-CQSZACIVSA-N 428.897 4.979 30 10 IJEE CC(C)CN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 1872775962 FKJRMOKKARVEAY-LJQANCHMSA-N 447.491 4.691 30 10 IJEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCN3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872786626 OMOBWBOSYUDDMM-IBGZPJMESA-N 443.528 4.598 30 10 IJEE CCOc1ccc(/C=N/Nc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cc1OCC 1873528803 HTXYLTYFYORLHY-WYMPLXKRSA-N 447.322 4.783 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1cccc2ccccc12 1873710499 HNAYFKPESJBKFT-UHFFFAOYSA-N 427.529 4.843 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(SCCO)n2/N=C/c2ccccc2)cc1 1874195791 GXQCCWCTFOVUFM-XIEYBQDHSA-N 438.597 4.554 30 10 IJEE Cc1ccccc1/C=N/n1c(CCCOc2ccc(Cl)cc2)nnc1SCCCO 1874213930 MIKIZORGLBWFJA-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE COc1ccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1OC 1874215523 QTYVVGGKLKXENJ-FOKLQQMPSA-N 446.960 4.749 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccc1OC(C)C 1874296870 YAHLZHVAHWYNBT-HZHRSRAPSA-N 439.541 4.949 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(Cl)cc1 1874297330 WBIXXLWDYCFWNI-WSDLNYQXSA-N 427.917 4.981 30 10 IJEE CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874323715 DPAPJKMVKUGUCN-FOKLQQMPSA-N 446.960 4.836 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2cccs2)cc1 1874335061 FTBFEQZSZSAXLZ-BYWZACNXSA-N 439.610 4.547 30 10 IJEE CCCNC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874402330 TYWIQKYVVGSXGN-WPWMEQJKSA-N 449.624 4.687 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1OC 1874477133 KPWMFCAITVGYQZ-HYARGMPZSA-N 425.514 4.712 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccc2ccccc12 1874532775 AOAPZPQTSNDPDP-ZMOGYAJESA-N 426.505 4.563 30 10 IJEE CCCCOc1c(Br)cc(/C=N/n2c(C)nnc2SCCC)cc1OC 1874533277 AMLJHAJJYKEWRE-UDWIEESQSA-N 441.395 4.921 30 10 IJEE C[C@@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCCO2)c1ccccc1 1874580717 CLIXADDXESKNIH-XSSIKURBSA-N 443.499 4.610 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)[C@H]1CCCO1 1874708496 FWTLLPUJHQHHOW-OXHGWOFKSA-N 438.520 4.982 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1 1875112274 ASTXCMSBWSAIHJ-RUDMXATFSA-N 438.867 4.571 30 10 IJEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1[N+](=O)[O-] 1875117907 XUUCPNIXUOHPLM-YIXHJXPBSA-N 432.388 4.927 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)c(OC)c1 1875179129 UUFFZVLIFBSSOW-XNTDXEJSSA-N 432.472 4.974 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC(C)(C)N(c2cc(Br)c(C#N)cc2F)C1 1878986090 IDELEEHGCIEPAO-ZDUSSCGKSA-N 426.330 4.732 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3cc(-c4cccc5ccccc45)on3)C2)c1 1891708811 GVOQYFIVYSOKIX-IBGZPJMESA-N 438.487 4.693 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 1903084814 TYBSGFMNOOUDHP-AUUYWEPGSA-N 435.487 4.856 30 10 IJEE Cc1ccc(CN2C[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1921510330 YWDXKQXQWXYFOD-GMAHTHKFSA-N 448.460 4.637 30 10 IJEE C=C([C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[Si](C)(C)C 1923025983 CSIQOWRTUIUVQE-XUZZJYLKSA-N 431.697 4.568 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1NC(=O)OC(C)(C)C 1943913829 WRDDBIZGXRDIHR-JPYJTQIMSA-N 431.533 4.776 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCC2 1949860213 SCWFIQDTHZNDGV-NRFANRHFSA-N 434.541 4.750 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Cc2cc(Br)ccc2Br)C1 1982471076 CRXKBXUIYYBACE-QGZVFWFLSA-N 444.167 4.905 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 2037223342 IFAUAROKOMUGIE-GLDPYIMESA-N 443.544 4.728 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2047975477 DWSPVIASOPOWED-HZPDHXFCSA-N 429.786 4.540 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)[C@@H](C)c2cc(Br)cs2)C1 2077090699 VRFSLNGIYRTYDH-LBPRGKRZSA-N 429.380 4.644 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(O)c1 2079007189 OKHJBBMEEOVMAX-SFHVURJKSA-N 435.309 4.886 30 10 IJEE COc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1C 2079954012 GKCCBQNHXRMPJB-SFHVURJKSA-N 447.320 4.943 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)c(F)c1 2080055997 NIEDIBICAAXXFA-QGZVFWFLSA-N 439.272 4.630 30 10 IJEE Cc1sc(Br)c(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c1C 2101073907 DFSFRBXBLQLRSF-UHFFFAOYSA-N 426.185 4.531 30 10 IJEE C#C[C@@H]1CCCCN(C(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)C1 2180071270 PRLFVNSYBQSNPX-OAHLLOKOSA-N 435.362 4.980 30 10 IJEE Cc1cc(C(=O)[C@H](C#N)c2cccc(Br)c2)ccc1I 2207027776 PTNNXRZXWXARKQ-CQSZACIVSA-N 440.078 4.852 30 10 IJEE CN[C@@H](C#Cc1cccc(Cl)c1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216982616 SHPDSBAYWINKOV-XZOQPEGZSA-N 442.987 4.780 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(CC(=O)C#Cc1ccccc1Br)C(F)(F)F 2235720118 OWQPNURQYQTZHG-SFHVURJKSA-N 448.279 4.853 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@@H](N)C#Cc2ccccc2Br)C12CCC2 2235733353 UCKRSAQUEUTVKM-JENIJYKNSA-N 433.390 4.602 30 10 IJEE C=C(C[C@@H](NCCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)OC 2237423970 FTUPCCDLHUEFMA-MOPGFXCFSA-N 441.410 4.803 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)c1c(F)cccc1I 2243441424 QNJPIXMEEJNATO-LJQANCHMSA-N 425.285 4.854 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2247888422 ZIWZRYSHCVEQLD-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2247962041 KLSUGDVBSOBCIT-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)c(F)c2)OC1(C)C 2266988929 WPEJISVYJVNOQH-UHFFFAOYSA-N 431.316 4.972 30 10 IJEE CCc1ccc(C#C[C@H](NC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 2268739305 OLPUKRBFRAKDAS-VWLOTQADSA-N 448.607 4.642 30 10 IJEE Cc1sc(C)c(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)c1Br 2283008241 RMBABOQFZGKWFJ-UHFFFAOYSA-N 437.212 4.621 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@H](O)C#Cc2ccccc2Br)CC1 2283130625 BFELPQOVQJPYKG-IBGZPJMESA-N 436.390 4.979 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cccc(C(=O)O)c3)[C@@H]2c2ccc(Cl)cc2)cc1 2296088583 FUDKYUROYRNCIQ-OAQYLSRUSA-N 447.874 4.973 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)C#Cc1ccc(Br)cc1)C2 2296270388 ZDEQGHCJFLPYCM-VDNWNZSNSA-N 430.342 4.548 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CCC[C@@H]1NC(=O)OC(C)(C)C 2296279365 OFQNLGHOUBDYBP-DXIQSLLYSA-N 435.406 4.862 30 10 IJEE CCCC1([C@@H](C#Cc2ccc(Br)cc2)NC)CC(NC(=O)OC(C)(C)C)C1 2296306978 ORSBLBPIUXSAIW-GSVIPDFHSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2298496746 NKEJKCKJJKBVBB-CJXDPKRBSA-N 447.498 4.761 30 10 IJEE CCN[C@H](C#CC1(SC)CCC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299660728 PMJWUVXNWRATOD-YADHBBJMSA-N 446.657 4.754 30 10 IJEE Cc1cc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)ccc1F 2323970625 ZZLPOZZFFLXFPC-UHFFFAOYSA-N 427.859 4.972 30 10 IJEE COc1cc(C=CC(=O)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 2325717170 HOWVXDXRYAINMQ-FDTGPBLFSA-N 433.548 4.797 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1N=Cc1ccc(O)cc1 2326461143 QFFAUQSUXCADAS-UHFFFAOYSA-N 436.537 4.678 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2ccccn2)cc1 2329966332 DFDLOJBMJKULEN-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(Cl)c1 2330252938 SAERMPUGNQDSEB-UHFFFAOYSA-N 434.009 4.555 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(OCC)c1 2330303153 GQWAMJZYRFRHGI-UHFFFAOYSA-N 444.601 4.727 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(Cc2cccs2)nnc1SCc1ccccc1 2330390273 GWBHYMDMZSLDCV-UHFFFAOYSA-N 434.546 4.803 30 10 IJEE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=NNC(=S)NC1CCCC1 2330457966 FWQIZQZGLIENFH-UHFFFAOYSA-N 431.915 4.871 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(F)cc1 2330597120 ZAIQDMUIJKOZKT-UHFFFAOYSA-N 445.589 4.769 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)c1OC 2330899844 VYSKRXNCEGNIKG-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 2330994388 SPANQNHGJGARNT-SFHVURJKSA-N 443.916 4.866 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1OC 2331300410 CORUGLWLUSMEJR-UHFFFAOYSA-N 432.549 4.803 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2OC)o1 2331391792 FNEWIQYQJYUDQP-UHFFFAOYSA-N 442.541 4.528 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2C2CCC2)cc(Br)c1OC(C)C 2331478542 JCUNVZDESLQEMC-UHFFFAOYSA-N 439.379 4.708 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccc(F)c2)cc1C 2331485768 YAIFIVUZAVIFOH-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1cccc(Cl)c1 2331539559 RCFUCHXTTRHKSH-UHFFFAOYSA-N 434.009 4.822 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c(Br)c2)cc1C 2331706697 MNZLQBQZOXWCBI-UHFFFAOYSA-N 437.293 4.971 30 10 IJEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331706882 MUGKIKNPJVJHLF-UHFFFAOYSA-N 431.905 4.843 30 10 IJEE CCOc1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)cc1 2332148938 QKTLBYREXMJDCO-UHFFFAOYSA-N 442.306 4.555 30 10 IJEE C=CCN(CC[C@H](N)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2337529293 HLIMHRZYPIPRDT-SFHVURJKSA-N 425.367 4.803 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197400 LJXOLONCJDYFCD-GTAWCEEGSA-N 433.390 4.567 30 10 IJEE Cc1cc(CN2CCCN(Cc3ccccc3)C(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369725995 XRAKYEYJWYEQRN-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE Cc1ccc(S(=O)(=O)/N=C2\C=CC(=O)C(Sc3nc4ccccc4s3)=C2)c(C)c1 9030578 ZKVXLNVZLCLCPN-HZHRSRAPSA-N 440.571 4.858 30 10 IJEE C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N/CCCCCCC(=O)OC 13477386 STIXHJDOQVONMX-LNZAWAQUSA-N 445.610 4.639 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2 20755343 JQTXPLHFMUZTDR-TZBSWOFLSA-N 436.577 4.884 30 10 IJEE COc1cccc(/C=C2/Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)c1 34799280 SUKRCAOUARCGDL-LPYMAVHISA-N 432.428 4.548 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(F)cc3)ccc2O1 38256134 PYVSGFRRBFOTBX-JLCFBVMHSA-N 433.435 4.521 30 10 IJEE CCCOc1c(OCC)cc(/C=N\n2c(S)nnc2C2CCCCC2)cc1[N+](=O)[O-] 169910052 JZHGHKSFAMIJFI-BKUYFWCQSA-N 433.534 4.592 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1OC(C)C 169976418 RQKDFZTWOLLORA-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1cccnc1 170004493 SKOWYIWNKYTBKJ-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)s1 170081659 CSELQPXGJMOACL-GOSISDBHSA-N 440.908 4.902 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccn1)c1cccc(Cl)c1 170176582 QDWIGLCXSUVQBS-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccnc1 170183968 SRYALARMUOVDBI-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC)cc1 170215826 JOYZVLDMNYSHSE-QMHKHESXSA-N 435.520 4.787 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)cc1C 170224743 PICGWCGFNFOZBT-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)ccc1OC(C)C 170231276 GGAGXVKNAPTXIM-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1C 170251473 DCWZRMPPCHVRBT-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)ccc1OC(C)C 170293024 BWEPIITVUUIYBJ-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C[C@H]1CCCO1 170315845 PFMXTKQNYFUOOI-CTNGQTDRSA-N 437.561 4.693 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1ccncc1 170422015 RPKNFIPYTLYGFN-NRFANRHFSA-N 436.870 4.695 30 10 IJEE COc1c(Cl)cc(Cl)cc1/C=C1/SC(=Nc2ccc(C(=O)O)cc2)N(C)C1=O 252615104 JOXHXFDKQMQEGX-GBNZKNPWSA-N 437.304 4.934 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2S)cc1COc1ccccc1Cc1ccccc1 254386172 BFYIIPWEXIGCCM-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 479021083 LRNAUJUVTGVODD-CMJOXMDJSA-N 445.906 4.992 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526799161 CPROLBUOUQNRLE-IWIPYMOSSA-N 440.569 4.821 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cccc(F)c1 526827655 BFGMCVYDEVGCNL-OYKKKHCWSA-N 426.517 4.721 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)o2)cc1 531353489 RZYPTJXFSDBGGT-GOSISDBHSA-N 445.397 4.562 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(=O)c4ccccc4)CC3)n2Cc2ccccc2)c1 549158183 FQQSNSQTEIAQRX-UHFFFAOYSA-N 447.542 4.964 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N(C)CCOCc3ccc(C#N)cc3)cc2)cc1 554799276 SGRMARBHPACEBD-UHFFFAOYSA-N 428.488 4.842 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccc(C#N)cc21 559557890 FGWJOHAFDDFTDP-LJQANCHMSA-N 430.335 4.599 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2ccsc2)C1 563228234 SJTKBTUTWUAZHF-OXQOHEQNSA-N 428.533 4.773 30 10 IJEE COc1ccc(CCN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)cc1 586169985 QOLVZHRGYVPUJY-UHFFFAOYSA-N 440.952 4.654 30 10 IJEE C=CCN1C(=O)COc2ccc(C(=O)COc3ccc4nc(-c5ccccc5)oc4c3)cc21 586473897 FAXAUIXKKVRKKP-UHFFFAOYSA-N 440.455 4.668 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618900866 KIDSRPQYMGNABC-RTWAWAEBSA-N 444.362 4.813 30 10 IJEE CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C(F)(F)F)c1 732698940 PJXQMKPYHKCMKS-HIFRSBDPSA-N 426.508 4.800 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 733202692 VXLFZTXRAWHBBY-GOSISDBHSA-N 445.466 4.689 30 10 IJEE COc1ccc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1C#N 746858710 KWIXICOKQFHUMU-UHFFFAOYSA-N 431.439 4.568 30 10 IJEE N#Cc1cccc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)c1 781366480 DQFVCPUUUWEEDP-HSZRJFAPSA-N 438.449 4.882 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1cccc(C)c1 799215531 MNLKCHXPJGMSPC-GOSISDBHSA-N 445.466 4.607 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCc3nc4cc(C)ccn4c3[C@@H]2CC(=O)O)c1 821244199 GMSOQYATFWYKKA-NRFANRHFSA-N 446.551 4.695 30 10 IJEE N#C[C@@]1(N[C@@H](Cc2ccccc2)c2ccccc2)C(=O)Nc2ccc(Br)cc21 1088727141 OHIVEHUFLGDSRY-GMAHTHKFSA-N 432.321 4.694 30 10 IJEE C=CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)cs1 1124413756 OORNHZRMMMKBEO-SFHVURJKSA-N 440.569 4.916 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CCC)CC2CC2)c1 1124786729 UTFXRNUJGGNWPO-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 1125187271 MWFUUAZSNAMQTK-UHFFFAOYSA-N 433.511 4.902 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 1125270048 ZWIUKPRQUGHXKY-LJQANCHMSA-N 433.426 4.621 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1OC 1126050823 FZKZXAQXHQCYBV-CQSZACIVSA-N 426.822 4.978 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 1129928555 WBHIAYAYNMQZPZ-LRDDRELGSA-N 437.721 4.611 30 10 IJEE C#C[C@@H](NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C1CCOCC1 1131257316 NVVOVXXCUYDBAP-XMMPIXPASA-N 434.967 4.820 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(-c2ccc(Br)cc2)s1)C(=O)OCC 1132418151 MSJPRTMHYMFCEB-CQSZACIVSA-N 442.762 4.982 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CN(C(=O)OC(C)(C)C)C1 1136221183 YJOUSWXUEFTLJP-UHFFFAOYSA-N 427.476 4.765 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 1141609437 ITCMMDKHSAFRAF-WIYYLYMNSA-N 443.588 4.630 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)NC[C@H]3CCCN3CC3CCCCC3)c2)c1 1160738333 DBFGMJYFZMHJGG-RUZDIDTESA-N 431.580 4.912 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCO[C@H]1CC 1161466014 MJVFGMPXTUSVOK-SDHSZQHLSA-N 448.563 4.544 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(c3ccsc3)CC2)n(Cc2ccccc2)c1C 1169439953 AXYSJZFSJCTBIF-UHFFFAOYSA-N 432.593 4.905 30 10 IJEE C#CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl 1186261802 QAPKONQXKONOFT-UHFFFAOYSA-N 425.175 4.713 30 10 IJEE C#C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(Cl)cc1F 1216105999 DYGLCCCGRPDCLH-KRWDZBQOSA-N 428.254 4.686 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 1219084296 IEEGWXSIMGKNPV-KRWDZBQOSA-N 448.336 4.944 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCOc2ccc(OC)cc21 1219084464 NCCUABRBUSAUIY-MRXNPFEDSA-N 433.302 4.668 30 10 IJEE C#CCN(C)CCCNC(=O)NCc1ccc(Oc2ccc(Cl)cc2Cl)c(C)c1 1221582151 OVJALHSIONMIDV-UHFFFAOYSA-N 434.367 4.848 30 10 IJEE CC(C)CCOc1ccccc1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1234112948 DQWXEAXQTTYNNA-UHFFFAOYSA-N 436.556 4.568 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(-c3ccc(Br)cc3)n2C)cc1 1272007235 QBDIVNNYWRGRFG-UHFFFAOYSA-N 425.326 4.949 30 10 IJEE C#CCCOc1ccc(C(=O)O[C@@H](C)c2ccc(SCC(=O)N(C)CC)cc2)cc1 1274700786 KXPXXAUATHBMBA-SFHVURJKSA-N 425.550 4.577 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(CC)CCOCC1 1286278048 KSVKTOXZENZQHG-ZWKOTPCHSA-N 430.980 4.736 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)c1cccs1 1286464189 VSGUXCWDCGQXDJ-UHFFFAOYSA-N 445.592 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H](C)c1c(C)noc1C 1286528298 VWGPXVGJTBYXTG-NIYFSFCBSA-N 431.584 4.854 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C[C@H](C)c1nccs1 1286631223 DJHUTAKPWWKUEP-HNNXBMFYSA-N 431.993 4.521 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)cc2Cl)CC1 1286638850 ONXMDUMIUWHMTI-HSZRJFAPSA-N 448.970 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CCc1cccc(C(=O)N(C)C)c1 1286747155 IJIZXNQQVQAWLZ-UHFFFAOYSA-N 437.613 4.600 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCOc1cccc(F)c1 1286748485 WLIWSVFRXAZSKS-UHFFFAOYSA-N 435.528 4.812 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1)C(C)C 1286751851 UGYPSYISKOKTRX-RTBURBONSA-N 427.559 4.879 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1C[C@H](C)O[C@@H](C)C1 1286766688 VSBHWKUSBLMRID-HOTGVXAUSA-N 436.959 4.580 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286772255 WTVJLEFADZOVAM-YLJYHZDGSA-N 439.604 4.778 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC2CCCC2)C1 1286801593 DMZWCCJYSKKDOA-NRFANRHFSA-N 425.533 4.605 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 1287938562 AOINQMUGULHJTN-XMMPIXPASA-N 447.564 4.794 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@H](Cc1ccccc1)C(=O)OCC 1296421128 RJOVIOLARRLREF-JOCHJYFZSA-N 437.927 4.533 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1300769209 BVCHQNNRRPGLOW-FDFHNCONSA-N 438.641 4.855 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1300999407 BAEGTUSABQNJGV-GOSISDBHSA-N 438.494 4.537 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCCOC2)C1 1301018121 VHAZWSITWVSUJS-CVDCTZTESA-N 430.980 4.794 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@](C)(O)C(C)C)CC1 1301105092 CTHAOZSYLNAFGY-CPJSRVTESA-N 426.605 4.844 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1csc(CC)n1)C1CC1 1301320977 SUJKYIQEVJDELZ-UHFFFAOYSA-N 444.402 4.930 30 10 IJEE C=C(C)COc1cc(CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)ccc1OC 1308515908 UKJDMGFJXZSZCB-LJQANCHMSA-N 444.597 4.683 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)NC1(c2noc(C3CCCCC3)n2)CCCCCC1 1309315982 ICBCGPIVOLCZII-UHFFFAOYSA-N 442.585 4.825 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)ccc1SC)C1CCN(C(=O)OC(C)(C)C)CC1 1310199379 HYUQDXRYUDBCDN-UHFFFAOYSA-N 437.993 4.929 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1F 1310785549 FUNMJFDAEXWTOI-QGZVFWFLSA-N 447.695 4.923 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1ccccc1)c1ccccn1)c1ccc(Br)cc1 1312936893 MPVNZXDAQOTEGZ-IFMALSPDSA-N 434.337 4.802 30 10 IJEE C#CC[C@@]1(C(=O)N(C)Cc2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1349990573 HTNCLRUHKQMCSW-NRFANRHFSA-N 425.356 4.745 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)CCCc3ccc4c(c3)OCCCO4)cn2)c1 1354515079 GNWMILTWRSPECJ-UHFFFAOYSA-N 429.476 4.868 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 1358378026 OTAGKNLZPVZWON-OAQYLSRUSA-N 431.349 4.940 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1358944418 SLIGOVCDJJLWOL-OZXSUGGESA-N 436.600 4.645 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](COCC)C1 1359127889 DAVQCZACWPHNBP-OALUTQOASA-N 444.645 4.587 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC2(CCC2)C1 1359145395 OBFKXBBPZQPFDS-UHFFFAOYSA-N 437.769 4.528 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)c2c(C)noc2C)CC1 1359180316 ABAJIWIGWJGMTK-SFHVURJKSA-N 435.572 4.711 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1359182007 OUNIUKVBZQMWMF-RUZDIDTESA-N 442.579 4.730 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1359182088 RWPDASZISRGEQU-UHFFFAOYSA-N 438.494 4.515 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359189423 KRPLNQBNVKHAPM-NHCUHLMSSA-N 445.007 4.509 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1sccc1Br 1359196792 SYZQCXWTUQVTMG-HNNXBMFYSA-N 439.423 4.837 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCCC(C)(C)C1 1359234561 STRROAUNFWQZJM-UHFFFAOYSA-N 446.437 4.760 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H]1N(C)CCCC1(C)C 1359256877 SNICFMSJSSYDTJ-QHCPKHFHSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H](OC)C(C)(C)C 1359264664 LPKZDHHFQIQFHC-LJQANCHMSA-N 445.658 4.949 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1Cc1ccc(OCC(F)(F)F)nc1 1359269152 QFBKGXAFWGQLEC-UHFFFAOYSA-N 429.446 4.508 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCc2nc(C(C)(C)C)cs2)C1 1359317104 BVIRYFNJFLMMAA-IBGZPJMESA-N 437.613 4.723 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C)c2ccc(OC)cc2)C1 1359320025 KRBXAQDCYHLPLX-WWPVKYPJSA-N 440.588 4.503 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc(OC)c1OC 1434921711 WQFFEJHKALIDHT-OAHLLOKOSA-N 448.357 4.587 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 1435620615 JHWQQNZPKJPBOB-QHCPKHFHSA-N 426.582 4.689 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCC1(c2ccc(Br)cc2)CCC1 1442076754 AIZKYGLPUSOZGP-UHFFFAOYSA-N 448.158 4.935 30 10 IJEE C#CCOc1ccc(C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1458317307 KSMSQMDQQUBBPL-OAQYLSRUSA-N 427.426 4.535 30 10 IJEE C=CCN(C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1458996423 IFUAHMQTDRVHBE-AABGKKOBSA-N 425.491 4.934 30 10 IJEE CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc(Br)cc1C#N 1459986319 AKMUYWJJMLKPKL-UHFFFAOYSA-N 427.220 4.534 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCN(c4ccsc4C#N)CC3)cc2)cc1 1461541316 GMQGOIAGXYATNI-UHFFFAOYSA-N 431.517 4.577 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cccc4c3OCCN(C(=O)OC(C)(C)C)C4)cc21 1472163059 KZESYVXCWALRBW-UHFFFAOYSA-N 448.523 4.604 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[nH]n1 1472240983 JQXOXZWUSVJNMW-UHFFFAOYSA-N 445.397 4.603 30 10 IJEE Cc1ccc(Cn2c(CC3CC3)nnc2N2CCC(CC#N)CC2)c(OCC(F)(F)F)c1 1492200073 BOSQGKJMXQSAIT-UHFFFAOYSA-N 447.505 4.659 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CCS1 1497716318 DJIIPYGAWOYZMM-UHFFFAOYSA-N 432.597 4.566 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1500539265 AQRHBFDFWKAYKV-RBBKRZOGSA-N 447.631 4.743 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC1CC(OC(C)(C)C)C1 1507527299 HFYMNPLJVHGJTM-HDYDNRTBSA-N 433.600 4.879 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](c1ccco1)N(C)C 1507605426 SUBSGLSKKYVWET-INIZCTEOSA-N 439.972 4.779 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCSC(C)C 1507661922 ARYJJUBREBMASM-UHFFFAOYSA-N 426.655 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1C 1507797620 PWEOVCQLGYBDKH-KPFFTGBYSA-N 445.405 4.986 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CC)CCCC2)CC1 1507898220 VWPMCWBJFDPJOA-UHFFFAOYSA-N 442.629 4.721 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)OCO2 1507929794 VYOSZAJRYAXVND-UHFFFAOYSA-N 439.947 4.953 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507956801 RWRJIZZEBQGSPL-IBGZPJMESA-N 444.023 4.787 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1507957274 XLFZZXJYTQWNDL-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCC[C@H]1C 1508000780 DKJVBYAIPNZDJC-KOSHJBKYSA-N 437.975 4.737 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C)C1)C(C)C 1508011368 QKRPRORGJCZPFB-UGKGYDQZSA-N 444.023 4.522 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](OC)C(C)(C)C 1508037015 HVWQIOPLJVWETK-JOCHJYFZSA-N 437.588 4.502 30 10 IJEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1508163061 UFRXPWIHCDOVEX-HXUWFJFHSA-N 426.630 4.568 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1508168029 MWKVIWIMLPCFHS-BRWVUGGUSA-N 446.583 4.895 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cscc1C 1513013443 AFAYMOGEGGFTLJ-INIZCTEOSA-N 438.576 4.547 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1 1520011865 XEUYJDASTCRCQU-JOCHJYFZSA-N 447.000 4.952 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnn1[C@H](C)CC)c1ccc2c(c1)OCO2 1521284086 IREFEOKHCWJLTK-GOSISDBHSA-N 433.508 4.995 30 10 IJEE C=CCN(C(=O)/C=C/c1ccccc1OC(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1522958337 DFVCVIZKZGKKBG-DAMWEWLOSA-N 447.453 4.787 30 10 IJEE C=CCCOCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1 1524022535 WHWOBYNZFTYIAS-OAQYLSRUSA-N 434.552 4.709 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1 1528439313 XKIGDCOHLXPBKZ-UHFFFAOYSA-N 435.451 4.765 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)C1 1529683204 AKVXKRYZQTZIMM-UDZXTKBFSA-N 444.575 4.750 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc3c(CCC)cc(=O)oc3c2)CCCN1C(=O)OC(C)(C)C 1530806164 QSLUFKODWGYOKL-RUZDIDTESA-N 441.524 4.997 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 1531613092 VNHJSYJEDNYMMF-MRXNPFEDSA-N 426.509 4.881 30 10 IJEE C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(C(F)(F)F)cc1 1534023874 FUWKEJYYSUUJMS-DOMZBBRYSA-N 436.817 4.888 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)C(=O)OCC 1537003574 IWLONEQGIMSMJX-IBGZPJMESA-N 446.341 4.656 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@@H]3COC(=O)N3CCCCC3)c2)cc1 1539654267 FNTUEGWTLJGPGL-JOCHJYFZSA-N 447.535 4.968 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1539743811 SIWSNXTUYFZOGN-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CCSCC 1539779273 SEMDSRDRCFYBAV-LBPRGKRZSA-N 432.819 4.756 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(N(C)C)CCSC2)CC1 1539875306 VZBMAJRJGCLYEP-WIOPSUGQSA-N 439.673 4.660 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539960936 JVDSJLRJZLTYHS-FQEVSTJZSA-N 448.615 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCC[C@H](O)C1 1540140927 WVTBDPYILZUTLL-OALUTQOASA-N 438.597 4.759 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ncc(CC)s1 1540177726 UCVLDYKHLIBSEE-UYAOXDASSA-N 429.634 4.637 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1540911303 QQNYOIRGUNDGKJ-QFIPXVFZSA-N 426.630 4.680 30 10 IJEE CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 1542269584 BBMIYFJOXPQAKH-OAQYLSRUSA-N 439.515 4.815 30 10 IJEE Cc1cccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OC(C)(C)C)CC2)n1 1542649888 BXZUGUTZWUDCDV-UHFFFAOYSA-N 444.583 4.547 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC(F)(F)C2)c1 1542679735 HHEPVNQAFPHYCX-PGRDOPGGSA-N 429.515 4.731 30 10 IJEE CCO[C@@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1547843942 AUYHKXRHOSFCPS-XUZZJYLKSA-N 427.568 4.589 30 10 IJEE CC(C)[C@@H](C(=O)NCC(C)(C)CC#N)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1556957533 FRNUFSVTGRHWGA-DEOSSOPVSA-N 447.579 4.948 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1OC 1556982189 ZYLXPIXAXPLYCL-DSCGJTOLSA-N 443.490 4.524 30 10 IJEE CCCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@@H](C)C(=O)Nc1ccccc1C 1559791488 FEYTYAKUGKDNSR-QFIPXVFZSA-N 434.584 4.598 30 10 IJEE C=CC[C@@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1568313799 YUSISRHEKFDMJN-INIZCTEOSA-N 427.342 4.583 30 10 IJEE C=CC[C@@]1(C(=O)OCc2ccc(OC(F)F)c(F)c2)CCCN1C(=O)OC(C)(C)C 1583922544 KVJKBVNKSVKRSR-NRFANRHFSA-N 429.435 4.816 30 10 IJEE C=CCOc1ccc(COC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 1584602271 RTZAJPGYUHADBB-OAQYLSRUSA-N 429.488 4.742 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](c2ccc3c(c2)CCCC3)C(C)C)ccc1F 1586006973 AJSPGQBDLFVLRY-HSZRJFAPSA-N 445.556 4.723 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1587765130 AYCKRTAGNTVRMI-WXFUMESZSA-N 436.600 4.580 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(CC)(CC)C1 1587847353 KIFRWBFBDKXEDH-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1sccc1C 1588181271 QCOKRJQCNXQLDJ-LJQANCHMSA-N 436.556 4.633 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)N1CCCCC1 1588280509 MDOLIURAPGXOHN-UHFFFAOYSA-N 439.673 5.000 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1588289086 XBNQVNZQYFWQAZ-HDICACEKSA-N 446.014 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCN(C)C1CCCCC1 1589242715 GSTZIDWLGHTUNR-HHHXNRCGSA-N 449.643 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc2c1OCCCO2 1589615402 PZYJGKKUMBELNP-UHFFFAOYSA-N 439.947 4.606 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1594070435 FVLVEZYVXYRKIW-FQEVSTJZSA-N 437.588 4.749 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1594229833 VQMITXILTJYRBW-LJQANCHMSA-N 431.584 4.938 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(F)(F)F)CC1 1594449365 XBSJMQJLEZIYAB-UHFFFAOYSA-N 443.558 4.968 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1594627872 XNTWPPHBYFWSES-UHFFFAOYSA-N 441.595 4.715 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCSC(CC)(CC)C1 1594733562 VCYLOBOZVYOJCC-FQEVSTJZSA-N 428.602 4.869 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@@H]1C(C)C 1595075666 JKOXXEKJGNNDSQ-ZJSXRUAMSA-N 447.583 4.602 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1611647546 FQGGCGCSGVGDIK-QGZVFWFLSA-N 448.537 4.572 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2C)nc2sc3c(c2c1=O)CCCC3 1613283341 BQIWUJKKGDOBSA-LJQANCHMSA-N 440.590 4.838 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1614537524 GJQYOSNPXYUDIS-VQTJNVASSA-N 433.604 4.819 30 10 IJEE CC(=O)N(c1cccc(Cl)c1)c1nc(Cn2nnc(-c3ccccc3)c2C#N)cs1 1615020555 UECQAGFMJHXFRN-UHFFFAOYSA-N 434.912 4.660 30 10 IJEE Cc1cc(F)ccc1N(CC(=O)NCCc1c(F)cccc1F)Cc1cccc(C#N)c1 1616019309 GBYFZHILGIWOFM-UHFFFAOYSA-N 437.465 4.650 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)c1 1623028994 BZGVGOFPEWCXSK-UHFFFAOYSA-N 426.448 4.873 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)C[C@@H](C)C1CCCCC1 1624061609 DPROSEQYINNHDB-OAHLLOKOSA-N 437.378 4.773 30 10 IJEE C#C[C@@H](CC)NC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1626844003 JKIDSRSEDMMIJS-NRFANRHFSA-N 438.527 4.867 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)c1ccccc1 1627435152 ICWYVIZTJCDZGM-WFXUHBLMSA-N 446.613 4.946 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)c2cccc3c(Br)cccc23)CC1 1632424920 GUFDHXXLFRALIO-UHFFFAOYSA-N 434.337 4.826 30 10 IJEE C#CCC1(NC(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)CCC1 1638992840 HOPJNYVEUOSDPX-UHFFFAOYSA-N 434.355 4.774 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 1640397660 VXVZGDHUQRGRGM-KNQAVFIVSA-N 426.582 4.969 30 10 IJEE C=CCC1(CNC(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)CCCC1 1640592152 CUPKFQXGEHCVPB-CQSZACIVSA-N 439.341 4.956 30 10 IJEE C=CCSc1ccccc1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br 1641373412 HZTYLHSUWNMYOJ-ZBFHGGJFSA-N 445.220 4.933 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN([C@@H](C)c4ccsc4)CC3)c2C#N)C1 1642802197 CLSOLQXJWDQMKB-IRXDYDNUSA-N 442.654 4.513 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3c(Cl)cccc3OCC)nnc12 1643373762 QJWZXUUEBLGBEM-UHFFFAOYSA-N 426.929 4.575 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNc1ccn(-c2ccc(Cl)cc2C#N)n1)CC(F)(F)F 1650838992 DXXDGPKXKMZTIV-AWEZNQCLSA-N 443.857 4.655 30 10 IJEE C=CCn1c(SCc2ccn(-c3ccc(F)cc3F)n2)nc2cc(Cl)ccc2c1=O 1652365833 MYYQADLDQXESDI-UHFFFAOYSA-N 444.894 4.992 30 10 IJEE N#Cc1ccc(Br)c(OCc2nnc(-c3ccc(Br)s3)o2)c1 1653009907 FTGPRKJQIOGSAT-UHFFFAOYSA-N 441.104 4.774 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 1653479752 GHXJCVNZWVLFOE-RUZDIDTESA-N 444.966 4.828 30 10 IJEE C=CCNC(=O)c1ccc(NCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)cc1 1658461162 PLSDKMPGQMIPIX-UHFFFAOYSA-N 434.565 4.972 30 10 IJEE CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1659807481 DXBBHCJGCLKNRP-UHFFFAOYSA-N 436.377 4.807 30 10 IJEE CC(C)(C)[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1661800885 HSMMLFITWMBNBP-JSGCOSHPSA-N 431.371 4.591 30 10 IJEE C#CCN(C(=O)Nc1ccc(F)c(C(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1664131906 NZTRUNDDCGPLTF-UHFFFAOYSA-N 425.451 4.630 30 10 IJEE C#C[C@H](N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC)c1ccc(Br)cc1 1664837884 KOWRDEGUNKDMMZ-GUYCJALGSA-N 435.749 4.792 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 1668217436 CFXAWQDBPCYLPO-CVDCTZTESA-N 449.942 4.995 30 10 IJEE CC(C)(C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1(C)C 1669677608 AOKBVHCALBRUIV-ZDUSSCGKSA-N 431.371 4.685 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 1672064209 VDQRTYVNYLRMKS-DNVCBOLYSA-N 426.492 4.629 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)[C@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)C1 1685266656 GAPHEMZXMBUVHJ-BWKNWUBXSA-N 433.596 4.941 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1689904057 IXBXXHDPHPPZOB-UHFFFAOYSA-N 438.469 4.969 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCO[C@@H]1CCCC[C@@H]1C 1689949829 TVBJVJNBOSUAIY-HNAYVOBHSA-N 449.368 4.511 30 10 IJEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC(C)C)C1CCCC1 1690174517 DVIFKBYLWHBMHZ-JOCHJYFZSA-N 440.613 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCc1cccc(C)n1 1690266711 GBYKAEPHWHLJEU-QHCPKHFHSA-N 433.556 4.529 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1690306857 HPGGXNWNVFJOMJ-UTKZUKDTSA-N 442.560 4.705 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@](C)(O)C2CC2)CC1 1690415348 IORMCLHOJIOJNM-SANMLTNESA-N 438.616 4.852 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@H]1CCO[C@H]1C(=C)C 1690560714 ZPPHGIXPWDMPSW-ZEQRLZLVSA-N 431.584 4.981 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCCC[C@@H](SC)C1 1690748838 IVJUHMXFUCJMCA-LJQANCHMSA-N 432.659 4.519 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1705514130 LJNHWFCZQGVWGY-IBGZPJMESA-N 442.489 4.713 30 10 IJEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCCC1(F)F 1705622327 FLEGWDUJKLGCDU-NRFANRHFSA-N 442.554 4.660 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705682533 CPVLQAODLSYIMU-ZBFHGGJFSA-N 436.785 4.919 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CCC1 1705697252 KNOPGNFYQCMAOM-AZUAARDMSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC 1705697702 XDVKIEMPEOZSOA-KSSFIOAISA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOC(F)(F)F 1705712813 IMUIJDKUCVVLKR-UHFFFAOYSA-N 434.466 4.664 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCSC1 1705795393 IUZBNCNUMVVAKI-ROUUACIJSA-N 449.665 4.894 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 1705853775 HVJYEGVSONVWEY-GAJHUEQPSA-N 430.543 4.753 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCc1ccccn1 1705860239 DLROHIDGGKINRI-UHFFFAOYSA-N 426.568 4.713 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CCC(OC)CC1 1705877232 ZIPWGKROPOGUDD-LIKPIUCQSA-N 430.637 4.970 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2CCN(CC)CC2)C1 1705919135 YATYOLGGSPCPJL-FQEVSTJZSA-N 444.023 4.502 30 10 IJEE CS[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1712748999 HVGNNQIGAKOPNE-NRFANRHFSA-N 425.646 4.971 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722319460 LTFBHWKSMIBRSE-OAQYLSRUSA-N 442.535 4.590 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1CC(C)(C)C1 1722421888 NXLYMQRXSPRHIM-UHFFFAOYSA-N 449.624 4.899 30 10 IJEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1722464343 CIWAYRDWRFHDRQ-HXUWFJFHSA-N 442.610 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CC(CC)(CC)SC 1722472564 HHIVQLDXHDRIFJ-NZQKXSOJSA-N 440.613 4.705 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCn1cc(Cl)cn1)C1CC1 1722646638 JZITYYPPSGQLQJ-OAHLLOKOSA-N 447.370 4.776 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1C 1722657240 VSFXTEAPKCQLPD-YKSBVNFPSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1N(C)CCCC1(C)C 1722663940 LTEJQZCHLVYILG-SFTDATJTSA-N 443.661 4.894 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1722682415 IDKLISXGZHBMQJ-DLBZAZTESA-N 431.378 4.537 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3CCOC3)CC2)cc1 1722705113 VQXRCPQJPWEFQC-JOCHJYFZSA-N 438.616 4.733 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1729269591 HZQOCWBDIRCUGT-OAQYLSRUSA-N 436.560 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCSC1 1740650896 RJHQAUGXDCXKGO-OAQYLSRUSA-N 436.625 4.586 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)CC[C@H]1C 1740713638 JKQHJBOKODWMOL-HZPDHXFCSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCN1CCC[C@@H](C)C1 1740732891 ULJVJJAJRILKFX-AJTFRIOCSA-N 433.644 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC 1740753409 JPNOAVDPVRMWKD-DNVCBOLYSA-N 449.393 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H](c1ccccc1Cl)N(C)C 1740770756 FNHOOXXBADIVDU-NRFANRHFSA-N 426.996 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1nccn1C(F)F 1740776937 GUESGGUCPUOYPD-UHFFFAOYSA-N 432.544 4.921 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1740834405 VKOSDOSLSPKRMJ-VGOFRKELSA-N 439.604 4.611 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740870243 KPJWJAMGPSUNIK-CZUORRHYSA-N 446.420 4.669 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2nccs2)CC1 1740871796 ORDABWWRPIRAEW-UHFFFAOYSA-N 439.585 4.769 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C 1740916712 VYJHAOXTVWGWIP-LEWJYISDSA-N 439.629 4.624 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCN1CCC[C@@H](C)C1 1740917476 TZJUVWODWGVBEZ-JOCHJYFZSA-N 446.643 4.807 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C 1740927578 VRFIZSIXPZWEOH-IFMALSPDSA-N 429.653 4.638 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@](C)(CC)O1 1740937699 MMKMRZSYYGFZFP-DPLHUUCSSA-N 428.577 4.696 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1CCN(CC(F)(F)F)CC1 1741539605 IEMWDSKLEHQBNF-UHFFFAOYSA-N 448.537 4.573 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1748680260 PHWCOZYLEOBOLB-NRFANRHFSA-N 444.627 4.632 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1748724639 XHKZVBWWAVHNMD-UHFFFAOYSA-N 437.632 4.527 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1748738482 FZSLVKMTWKIEFW-JOCHJYFZSA-N 442.629 4.732 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CC1CCN(CCC(C)C)CC1 1748921020 KFKYJBFDNQDOJD-UHFFFAOYSA-N 428.024 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CSCCS1 1749142947 AYOBMGDJQVKAIE-FQEVSTJZSA-N 428.671 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCOc1c(C)cccc1C 1749164214 XTKGAOVEDYXCQH-UHFFFAOYSA-N 425.602 4.732 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749251229 AHRJXWXIQXPPFK-FCEWJHQRSA-N 437.371 4.829 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccs2)CC1 1749331296 XBFLESNCQKWJIS-XMMPIXPASA-N 444.645 4.760 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)CN2CCCCC2)CC1 1749343337 GXLWKLJAIAWMJC-LJQANCHMSA-N 443.586 4.672 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 1749383549 ZTKQHSJQDNLBIB-JAXLGGSGSA-N 444.583 4.768 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1749442648 UUEBIQQUQLXVNZ-WIOPSUGQSA-N 444.627 4.719 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC[S@](=O)C(C)(C)C)C1CC1 1749512260 WGGTWONSRRXDQS-NDEPHWFRSA-N 441.428 4.954 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(CC)(CC)SC)C1 1749700587 LGDQYXVRTVGHHQ-KRWDZBQOSA-N 436.025 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(CSC)c2)C1 1749716785 BNVSHRVLOJKYJI-NRFANRHFSA-N 440.638 4.623 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(CCOCC)CCCC1 1760117031 VRKGJXCJTPQJND-GOSISDBHSA-N 430.543 4.592 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C(F)F)C1 1760134078 YXYJVDFTMLYURG-SFHVURJKSA-N 432.515 4.637 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(CCC)CCC1 1760243708 QFKPIRIGGHPPKD-UHFFFAOYSA-N 448.590 4.889 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1760274128 GLJAYKNGBQXWLZ-RBUKOAKNSA-N 442.604 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1c(CC)noc1C 1760291507 RLLQMGLJMOIRIG-JOCHJYFZSA-N 427.911 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(SC)c1 1760296410 QOGXXHMWAPAHDU-HSZRJFAPSA-N 438.000 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)Cc1cccs1 1760339623 OQFLDSFFYVOEFM-LJQANCHMSA-N 434.613 4.859 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCOCC(F)F)CC1 1760382317 NUYHOZAWTPSPKG-MRXNPFEDSA-N 440.922 4.900 30 10 IJEE C=C1CCN(c2nnc(-c3cccc4cccnc34)n2CC[C@@H](OC)C(F)(F)F)CC1 1760385905 CWCFUIDJBSUQIV-GOSISDBHSA-N 431.462 4.617 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1760387171 IZBKHVBYFGWOAK-DHIUTWEWSA-N 440.588 4.851 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(F)(F)F)n2)CC1 1760400989 WKSIMXNEUIVBQP-UHFFFAOYSA-N 428.462 4.513 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760410015 QSGPQSFIKNIHTF-JOCHJYFZSA-N 433.556 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1760413744 SJQYLPOMVATUCK-UHFFFAOYSA-N 435.660 4.758 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCOC2(CCC2)C1 1760415968 QCGLUYMUTHPEFS-UHFFFAOYSA-N 442.629 4.941 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760422110 AOBXKTWOJAWMOU-NRFANRHFSA-N 435.532 4.556 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC)C1 1760425999 BXBBRDKGYAXERJ-LJQANCHMSA-N 434.588 4.658 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1760434161 ZMAVHHJFEOKOCA-UTKZUKDTSA-N 426.492 4.694 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC[C@H]1CCCCO1 1760482953 XZCJLDSQFCDOLB-JOCHJYFZSA-N 437.613 4.786 30 10 IJEE C[C@H]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)C1 1762792109 DWNXCEXYTRXABV-ICSRJNTNSA-N 435.597 4.905 30 10 IJEE CCC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1)OC 1763870327 HMCISZKQOAYJRG-NTKDMRAZSA-N 434.544 4.545 30 10 IJEE CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCc2sccc2C1 1765755828 GDOISAVUQRWBFQ-UHFFFAOYSA-N 434.613 4.563 30 10 IJEE COc1ccc(CCn2c(O)c(N=Nc3ccc(F)cc3)c(C)c(C#N)c2=O)cc1OC 1772741176 XZHHIGJGTXQPJW-UHFFFAOYSA-N 436.443 4.548 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862430951 WFXQEAZUYPKKSQ-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc2cc[nH]c2c1 1862503784 FMWIVCHEIDMLME-JOCHJYFZSA-N 436.483 4.620 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862563376 BVMJXHGZMSEXPR-HSZRJFAPSA-N 434.536 4.969 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 1862607806 XPYKVJFWTJRKQA-NRFANRHFSA-N 439.895 4.632 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(Br)cc1 1862646384 DYUVYKDVOAKRIA-GOSISDBHSA-N 448.288 4.585 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCCCO)cc1 1862678978 TYCCXSLYFKLSCF-JOCHJYFZSA-N 425.500 4.690 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2cccc(OC)c2)cc1 1862686955 DHLVDHLSOBEEGG-YTJPUZGESA-N 435.520 4.861 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2c(c1)OCCO2 1862720432 WHPKVRBXDYADRC-HSZRJFAPSA-N 429.472 4.598 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862736558 ZWEXOLIJQSKOMZ-OAQYLSRUSA-N 448.500 4.997 30 10 IJEE COc1cc(Cl)c(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccs2)C1=O 1863114154 ZFPSIMIZBQDLOQ-UHFFFAOYSA-N 449.919 4.987 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 1866715697 OIKLZHYCZQBAIG-FOIQADDNSA-N 429.973 4.582 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CSc1ccccc1 1870201948 AKMRHCRNRRQOQN-UHFFFAOYSA-N 434.561 4.907 30 10 IJEE CCCCCCCOc1cn(CCC(C)C)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870411133 UYITYXRJGAUXIN-UHFFFAOYSA-N 449.636 4.518 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CN(CCCC)CCCC)cc1=O 1870414244 IKROMKQEOVUEEG-UHFFFAOYSA-N 435.653 4.736 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCC(C)CC1 1870527948 KCJHTXMFKVNUIY-JOCHJYFZSA-N 447.664 4.734 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1sccc1C)C3=O 1871348526 JTYIPRSBXHEUQT-MOSHPQCFSA-N 426.582 4.865 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 1871941330 XFPUVLQYBVTWJJ-GFCCVEGCSA-N 433.382 4.649 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872442556 ZWHMAUFXHFLAEJ-AUSIDOKSSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872502553 BVIVOAVZMUQIIL-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 1872772948 UXSBGNVDBVPCHA-FPOVZHCZSA-N 429.545 4.652 30 10 IJEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773746 XFYJLYBZJPQFGR-OAHLLOKOSA-N 441.306 4.720 30 10 IJEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1 1872786715 QHVWEWMKHPPNEW-NHCUHLMSSA-N 443.572 4.960 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2cc(F)c(F)cc2F)C1=O 1873059389 SHHZQYGSPQYOKC-UHFFFAOYSA-N 445.485 4.729 30 10 IJEE CC(=O)N1[C@@H](C(=O)Nc2ccccc2C#N)Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1 1873868814 RZGTXQQTENCLDZ-AOYPEHQESA-N 434.499 4.541 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3ccccc3Cl)c(=O)oc2c1 1873901732 FIADPYSJORKXDL-UHFFFAOYSA-N 425.912 4.959 30 10 IJEE CCOc1ccccc1OCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc[nH]1 1874241691 UGKNGVCYBLITKX-YZSQISJMSA-N 447.564 4.801 30 10 IJEE CCCSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874389901 KSWMQMYBUSJKHX-BUVRLJJBSA-N 440.569 4.587 30 10 IJEE C=C(C)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874395487 NQSCDRVELNQKNR-CBFMJHRQSA-N 438.553 4.703 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1 1874430364 FBSKDVYIHFPSPO-MFKUBSTISA-N 447.589 4.606 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2c(F)cccc2Cl)o1 1874496167 XWRCJHLRFOZVRK-AUEPDCJTSA-N 448.907 4.892 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1c(F)cccc1Cl 1874521975 VPCQEUHVKWGMGF-BHGWPJFGSA-N 445.951 4.863 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCc2c(Cl)cccc2Cl)n1N 1874554369 JHJLXBKGZFPQMT-UHFFFAOYSA-N 437.352 4.735 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)CC1(C)C 1922087051 VVDWDONGYSUNCY-ATIYNZHBSA-N 446.632 4.526 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CCC1(C)C 1939469479 OOKAUBBVGASHAK-LJQANCHMSA-N 435.487 4.858 30 10 IJEE N#CCCNC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(Cl)cc1)CC2 2042438382 BKMQTDBNTOWLLL-UHFFFAOYSA-N 445.906 4.562 30 10 IJEE C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@@H](C)N1C(=O)OCc1ccccc1 2054426272 BKFUHPLKVVJMSE-GASCZTMLSA-N 446.320 4.696 30 10 IJEE C[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(C#N)c1I 2079079138 QAWLSJXZCYNCLH-SECBINFHSA-N 431.199 4.865 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)c(O)c1 2079849185 TXWQKTJFFHTAAD-KRWDZBQOSA-N 436.350 4.855 30 10 IJEE Cc1cc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)sc1Br 2107461595 QDMRMPBERXASNM-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2cccc(Br)c2C#N)CC1 2174812491 LLEXRHXAWSUZTN-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@H]2CCCC[C@@H]21 2174815771 WZMQATYHNCYKNY-IRXDYDNUSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N[C@@H](C#N)C2CCCCC2)c1 2181045095 LFDPIKBSBGVZJH-KRWDZBQOSA-N 436.350 4.998 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181137735 SJSFNZNNLBICPQ-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE C[C@@H](C(=O)Nc1cc(Br)ccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2187944206 MABVZVDXKOEVMR-CYBMUJFWSA-N 436.350 4.542 30 10 IJEE N#C[C@]1(c2ncc(I)cc2Br)CCCc2ccccc21 2189902510 XBTZKPIAGHUJQN-MRXNPFEDSA-N 439.094 4.595 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)n1 2190477374 DWSISSGVQFUPJQ-HYVLGVRCSA-N 448.416 4.509 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(Br)cc2C#N)CCC12CCC2 2205736149 JTLVKCMYQHRWSG-INIZCTEOSA-N 434.334 4.581 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2224253037 KIZRPXJXTDYIFB-RHSMWYFYSA-N 429.403 4.737 30 10 IJEE Cc1ccc(C#C[C@H](N)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2231147009 PDRZYAZPBYPCTR-VWLOTQADSA-N 447.623 4.623 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C(=O)C#Cc3ccccc3Br)CCC[C@@H]21 2235721349 IIJNHWWXXHRKJN-AOIWGVFYSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@@H](N)C#Cc1ccccc1Br 2235727266 KDQLCDFLSRYNOD-FQEVSTJZSA-N 429.358 4.568 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C1CC(N(C)C(=O)OC(C)(C)C)C1 2235729313 IVDVQBQDGKVXMW-AFMYVXGZSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](CC#CC1CC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237425207 PFTOVOCXXLQCCL-PMACEKPBSA-N 435.406 4.667 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)CC(F)F)c(B2OC(C)(C)C(C)(C)O2)c1C 2247932959 LDDCFQDWWYHJRO-UHFFFAOYSA-N 435.345 4.572 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2262198763 BOHNODKLPDJCBA-PXDATVDWSA-N 447.572 4.657 30 10 IJEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(F)(F)F)Cc1ccccc1 2267604437 GNPPEJAFYPDTDJ-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](N)C#Cc2ccc(Br)cc2)cs1 2278809373 LPGWATUMHSQFCA-WFASDCNBSA-N 436.375 4.543 30 10 IJEE C#C[C@@]1(Oc2ccnc3ccc(Br)cc23)CCCN(C(=O)OC(C)(C)C)C1 2285318981 BBVHKITVBPDOKI-OAQYLSRUSA-N 431.330 4.779 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2cccc(Br)c2)CC12CCCC2 2296221125 FWYVQRNVTXJUCC-HKUYNNGSSA-N 434.374 4.731 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2296221663 KOIRFNLZIPZKJQ-YSIASYRMSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2296295166 AGAXNJYKZNKJQQ-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)C(F)F 2296296480 OFIHTZMTWJCGAI-RDJZCZTQSA-N 445.348 4.575 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 2296297188 WIGGETSGTYBRCN-DLBZAZTESA-N 445.348 4.717 30 10 IJEE C[C@H](C#CC(=O)Nc1c(Cl)cc(Cl)cc1Br)NC(=O)OC(C)(C)C 2302426722 SXFGKFZPFBABRB-SECBINFHSA-N 436.133 4.611 30 10 IJEE COc1cccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC 2318788689 PSZMSVLFCHNKHY-UHFFFAOYSA-N 447.331 4.962 30 10 IJEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1cc(OC)ccc1OC 2322667094 SHXIPVRAHDOFRT-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)c1 2323489811 QDEIPMMMCFOYEQ-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE CC(=O)c1sc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)nc1C 2325249725 HJSYKBYQHXXGDI-UHFFFAOYSA-N 448.500 4.596 30 10 IJEE COc1cccc(OCC(=O)Oc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)c1 2325707038 TYPQWRODDTYLIB-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCOc1ccc2ccccc2c1C=Nn1cnnc1SCc1cccc(C(=O)OC)c1 2326749719 YWTWQJOVZDIRKI-UHFFFAOYSA-N 446.532 4.791 30 10 IJEE CCOc1ccc(C=CC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)cc1OC 2326780999 LSTXHFMVJXPTLH-UHFFFAOYSA-N 429.476 4.591 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2C(C)(C)C)cc1 2331414517 MBVARUUMFRQZAU-UHFFFAOYSA-N 449.624 4.990 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)COCCOC 2331504134 QGPLCGMOPVHUNR-UHFFFAOYSA-N 426.509 4.673 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(=O)OC)cc1 2331661803 UGSOTLCGSSAAJR-UHFFFAOYSA-N 428.945 4.845 30 10 IJEE C=CCN(CC(=O)Nc1ccc(C(F)(F)F)c(Br)c1)C(=O)OC(C)(C)C 2343981964 NQUPJEMTMDGRCV-UHFFFAOYSA-N 437.256 4.830 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(NC1CC1)C1CC2(CC2)C1)Cc1ccccc1 2344880941 JMYFJQSXJCDSNF-GDLZYMKVSA-N 442.651 4.825 30 10 IJEE C=CCN(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 2457508 BAVGMLWYBKGSNC-QHCPKHFHSA-N 437.496 4.506 30 10 IJEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/c2ccc(Cl)cc2)[C@@H]1N1CCOCC1 15861709 XVZRZSOZALFLCW-YXQVCNHYSA-N 438.984 4.816 30 10 IJEE Cc1cc(C)c(CSc2nnc(N/N=C/c3c(O)ccc4ccccc34)n2N)c(C)c1 20916189 UXWCTAFTWDTZDJ-BRJLIKDPSA-N 432.553 4.514 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)Nc2ccc(C)c(Cl)c2)n[nH]1)c1ccccc1 21081573 SXCJAJYLNGNUNK-ULJHMMPZSA-N 428.949 4.724 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1ccc(Br)cc1 25023750 WELOZWKVGYTFAR-UHFFFAOYSA-N 444.354 4.877 30 10 IJEE C[C@@H]1CN/C(=N\c2c(Br)cc(Br)cc2Br)S1 35286969 ATNLLWRFDLLLES-RXMQYKEDSA-N 428.975 4.687 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1 39753868 PRBATJUGFGDVRF-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE COc1ccc(-c2c(C#N)c(SCc3ccccc3)nc3c2CN(C)CC3)cc1OC 40569876 DITQNEMMXPQYIK-UHFFFAOYSA-N 431.561 4.918 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(N(CC)CC)cc1 59047756 PFQQXXDZKSPVEQ-UHFFFAOYSA-N 449.624 4.826 30 10 IJEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1 59892474 AFRWKWURTSSLQD-WYMPLXKRSA-N 428.484 4.778 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 60603010 PXJUIACJWPZFNM-HXUWFJFHSA-N 431.439 4.971 30 10 IJEE C=CCNS(=O)(=O)c1ccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201116 CPQNMYZXHPEOKH-UHFFFAOYSA-N 444.597 4.592 30 10 IJEE O=C1/C(=C\c2ccc(Cl)cc2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 103022438 OYKQJGSVZXTACE-RGVLZGJSSA-N 430.840 4.863 30 10 IJEE O=C1/C(=C/Nc2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 105286209 XOJAOSJVBPACQF-BKUYFWCQSA-N 442.899 4.965 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)o1 110403434 DMMBDQPLVKKJEV-UHFFFAOYSA-N 425.448 4.645 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(OC)cc2)cc1 169926608 REVJJSROFBYFAW-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 169961794 DIWNSBJYENAHTA-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccc(OC(C)C)cc1 169977880 YDYBMHROQMLGGO-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c1 170000673 DIDWVEJVAYSGGK-NRFANRHFSA-N 434.879 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 170058673 CCVHLSYNAPZLAE-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2sccc2C)c1 170104915 VGAQTUOQKMPDRB-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(C)c2)c1 170143140 FRCGQHANNGWIIK-JTHBVZDNSA-N 435.520 4.541 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccn2)c1C 170172935 BRJNNWOPWSYIEM-VOIUYBSRSA-N 440.499 4.805 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1 170173580 IYXFHWOLBMAKGN-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1cccnc1 170189964 USEUXGDINFPXRB-QFIPXVFZSA-N 444.487 4.504 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)cc1Cl 170206249 FNDLSANOVBTVMK-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCC)cc1 170216149 OOYPKEWIWDUOFO-QFIPXVFZSA-N 437.492 4.583 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1 170227575 OGHSFZGHMTWOPN-UPCLLVRISA-N 441.483 4.802 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(C(C)C)cc1 170244327 BHVGSUDOLIFEHF-OAQYLSRUSA-N 443.927 4.697 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1cccs1 170269877 WZOXCYKZJNIORX-HXUWFJFHSA-N 434.473 4.743 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)cc1Cl 170274397 LJOREPUPAJTNEU-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccncc2)o1 170307859 OXLOOQRJILQBCT-QHCPKHFHSA-N 428.488 4.640 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1sccc1C 170314634 RYVCNYVUDFDFIV-FQEVSTJZSA-N 435.501 4.862 30 10 IJEE N#CCCn1cc(/C=C\C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc21 208951491 KMUAPOOUEHBBEG-DMGQTMSCSA-N 427.504 4.703 30 10 IJEE CCOC(=O)c1ccccc1OCc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OC 252620600 MHQNJOMUHGWSKA-UHFFFAOYSA-N 449.463 4.805 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc3c2OCCC3)cc1Cl 440709041 AHPJHYAPOXHOLA-HXUWFJFHSA-N 445.906 4.898 30 10 IJEE Cc1c(Br)ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1F 447449653 OPSDBMDLDPWPPA-AWEZNQCLSA-N 426.083 4.654 30 10 IJEE C=CCN(C(=O)c1ccc(Cl)cc1Br)c1nc(C(=O)OCC)cs1 471346912 WTSKYDZLKNZYLF-UHFFFAOYSA-N 429.723 4.569 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(Br)cn1 481918988 GJFDPODSMRPUMV-UHFFFAOYSA-N 435.322 4.632 30 10 IJEE C=CCn1c(CN2CCCc3ccccc32)nnc1N(C)Cc1nc(C(F)(F)F)cs1 508499173 XVVJNYSQNKRNEF-UHFFFAOYSA-N 448.518 4.529 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)c(OC)c1 526607037 MGKQXESYKZRDQW-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(O)c(Br)c1 526799480 LXNSPAHQRNFUDZ-MTJSOVHGSA-N 431.359 4.873 30 10 IJEE CCc1nnc(SCc2ccccc2)n1/N=C\c1cc(Br)ccc1OC 526799796 OYEOXOYRCIHEJJ-MTJSOVHGSA-N 431.359 4.786 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N3CCC(C)CC3)CC2)c1 586094067 XQQIBUSRCLVHEE-UHFFFAOYSA-N 426.605 4.570 30 10 IJEE C=CCCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586233620 VPSNEKLWRFBFCD-UHFFFAOYSA-N 438.505 4.945 30 10 IJEE CCCCCCC[S@@](=O)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 586292734 BEVUECMFYCWOBP-WQIZZMQYSA-N 427.632 4.707 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 619742132 IQKAGPBXUBKKDH-RBBKRZOGSA-N 433.512 4.643 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3)[C@@H](C)c3cccs3)cc2C1=O 642073209 XSDZQLKKTJIVOR-KRWDZBQOSA-N 430.529 4.934 30 10 IJEE C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1cccnc1 645005041 LDHGTTWSWKKYND-UHFFFAOYSA-N 444.442 4.887 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1ccc(F)c(Br)c1)C2 712728355 UOZAWCYBVULVRU-GJZGRUSLSA-N 426.326 4.878 30 10 IJEE N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727628733 XKDFPVMCMOFTJR-OAHLLOKOSA-N 438.940 4.514 30 10 IJEE CCN(CC)C(=O)c1ccc(NC(=O)CSCc2cc(Cl)ccc2OCC#N)cc1 735319298 YNSVUQDATTYHOG-UHFFFAOYSA-N 445.972 4.596 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 807467063 KJGUHKMXAMHZIQ-MHZLTWQESA-N 438.571 4.981 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)c(C)c1 1083915948 SUMOTKUGBPGKHJ-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE CCN(CC)c1ccc(C=NNc2nc(SCCCCOC(=O)C(C)(C)C)n[nH]2)cc1 1084318673 ZBDJZDVGYAROJT-UHFFFAOYSA-N 446.621 4.559 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)c1ccccc1 1125305837 FODIGJPUALXIFI-NJGKLKBPSA-N 439.581 4.578 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CC(c3ccccc3C)=NO2)cc1 1125614003 AAKOIKSKZJIERV-DEOSSOPVSA-N 427.460 4.799 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1129731775 YUKKNSOEFOBFLQ-PXAZEXFGSA-N 426.232 4.726 30 10 IJEE COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cc(F)cc(C#N)c2)cc1OC 1132219466 HBZIHXWAZBHGEC-UHFFFAOYSA-N 442.450 4.820 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2ccccc2F)s1 1139016464 WEOBTIPARBRIPK-AWEZNQCLSA-N 425.913 4.924 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 1154367494 ZMEGNJFROHMKHP-UHFFFAOYSA-N 442.972 4.858 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 1155100519 JCQNNMSEXRKZRM-SFHVURJKSA-N 429.904 4.773 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCOc1ccccc1C(F)(F)F 1177785521 ZAJGNIFRJCHZTN-UHFFFAOYSA-N 428.248 4.649 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccc(OCC(F)(F)F)cc1 1185843868 BXMVXNLTSKCXJM-SNVBAGLBSA-N 445.356 4.825 30 10 IJEE C=CCn1c(SCCC2CCN(C(=O)OC(C)(C)C)CC2)nc2sccc2c1=O 1188282911 NQVLTOUOTSXAQW-UHFFFAOYSA-N 435.615 4.773 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2csc(Br)c2)c1 1190493013 GGCYTXUQVJXRCH-MRXNPFEDSA-N 434.403 4.895 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H]2CCC[C@@H]2Cc2ccccc2)n(-c2ccccc2)c1C 1193496244 FYTGXYSQCODCBD-RDGATRHJSA-N 426.564 4.905 30 10 IJEE C[C@H]1CCCN(Cc2ccc(Br)cc2C#N)[C@@H]1CCNC(=O)OC(C)(C)C 1195776874 FZHMWLSPVWHERL-HNAYVOBHSA-N 436.394 4.836 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 1214969877 CYZCADQOBHQETJ-HSZRJFAPSA-N 449.894 4.903 30 10 IJEE C#CCSCCNC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1220549482 OANDBLCSALJAAS-QFIPXVFZSA-N 441.666 4.637 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CC2)c(Cl)c1 1225555688 HGDIZWGHOCQJLN-GOSISDBHSA-N 447.391 4.934 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)Cc2cc(OC)ccc2Br)cc1OC 1269215613 PSQJABHRUJLILE-XFFZJAGNSA-N 446.341 4.703 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)Cc1cccs1 1286274527 MYVVAOXLWCVENM-ZWKOTPCHSA-N 430.581 4.733 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286317953 QQYGIJFCJVSNNJ-SFTDATJTSA-N 448.567 4.924 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286345217 VLSFDASHDHSFGG-QGZVFWFLSA-N 446.426 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCCN1CC 1286437265 JRBIMMIGAFCAJD-NRFANRHFSA-N 448.640 4.711 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1OCCCC 1286440601 FOPPAHAVMYTPBN-UHFFFAOYSA-N 441.938 4.819 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1286444351 WBNLOJJQJGUNRI-IBVKSMDESA-N 446.599 4.570 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCS[C@@H](C(C)C)C1 1286497133 NLJQGOAQVWJZAM-LEWJYISDSA-N 428.671 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 1286568059 UVYYUSYYJZGUBW-RDGATRHJSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(Cc2ccccc2)c1 1286569386 OBVCXIVMHZYKJX-UHFFFAOYSA-N 447.974 4.689 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1286586117 WMNFOKNWEBJMNZ-FQEVSTJZSA-N 446.599 4.635 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC=CCO2)CC1 1286655498 NCMLAVHJABITNX-QGZVFWFLSA-N 447.352 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N2CCC(C)CC2)CC1 1286665756 NTRCZCWFQJDAQV-YMPZKCBVSA-N 443.680 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)F)CC1 1286666383 DEILVABJPBELKL-UHFFFAOYSA-N 441.929 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286670335 GQVXYEJGQHEOAJ-IBGZPJMESA-N 448.615 4.914 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H](OC)C(C)C)C1CC1 1286733564 FFQLEAFWUSQVNM-SFHVURJKSA-N 437.357 4.673 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1c(CC)nn(C)c1CC 1286747626 MBIPGIACEAVOJW-UHFFFAOYSA-N 447.612 4.501 30 10 IJEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccc(Br)o1 1286769816 UIHLWZFBOSBIEX-UHFFFAOYSA-N 439.317 4.513 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1286797978 FNSCYRJHXQXRHB-RZUBCFFCSA-N 442.629 4.853 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(C)(F)F)C1 1286802827 WPUMYQQHQYWECH-NVXWUHKLSA-N 436.572 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2ccsc2)C1 1286813407 UORPJHCRAZIDJB-OAQYLSRUSA-N 438.597 4.559 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1C 1286825695 ONUKOLNNFHGUKG-UHFFFAOYSA-N 446.418 4.900 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)SC 1292602665 DGJOJIDUDPQHOV-QHCPKHFHSA-N 427.618 4.691 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1OC(F)F 1293942425 NXJRDSLCSVPPCU-CYBMUJFWSA-N 439.286 4.594 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1294180663 MQODESMIISCQGW-UHFFFAOYSA-N 449.429 4.773 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N2CCc3c(F)ccc(Br)c3C2)c1C#N 1298680966 GOABJVHDTGRHCC-UHFFFAOYSA-N 446.345 4.653 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1 1300305317 ZJGZEKILXFOXSJ-IFMALSPDSA-N 449.599 4.564 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1300325425 ZKVUSOAUOBFDLN-RTWAWAEBSA-N 439.673 4.847 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1300421477 HUYZCKLFIOMWJX-IAGOWNOFSA-N 431.378 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1csc(C)n1 1300562934 AFYUXEFFTSVTIY-UHFFFAOYSA-N 449.649 4.746 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1300830154 DJKJFMBLRXGMQL-ULQDDVLXSA-N 447.377 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCOc2ccccc21 1300918930 MUTNWGAANBQPQW-LJQANCHMSA-N 437.613 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301139164 LQMPHTLRTVFMTJ-MAUKXSAKSA-N 448.409 4.643 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc[nH]2)n1Cc1cc(Cl)c2c(c1)OCCO2 1301168528 RGNHZEUQDCAYHW-UHFFFAOYSA-N 441.963 4.929 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1301246042 OPRVQLGSVMHLEB-QZTJIDSGSA-N 445.405 4.701 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1c(C)noc1C 1301309976 VJRDBTTUNFMQLN-UHFFFAOYSA-N 436.343 4.634 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C)n1CC1(N2CCSCC2)CCCCC1 1301346615 GVCCPGGKOXXUAY-UHFFFAOYSA-N 425.646 4.531 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)(C)OCC)C1 1301541977 HJGHVKHTZCEOKG-IBGZPJMESA-N 444.645 4.872 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1301603886 IHPNBGWKGBGFNO-QFIPXVFZSA-N 446.624 4.534 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)c2nccs2)cc1 1304431429 GBSDIVNLONVLBX-SJORKVTESA-N 426.615 4.735 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1)c1ccc(Cl)cc1 1306855636 SZRQZALZKJVRPP-DEOSSOPVSA-N 441.918 4.780 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1307760207 IZADKPIQRDSEGS-CYBMUJFWSA-N 430.854 4.849 30 10 IJEE CC[C@H](CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N)Oc1cccc(C(F)(F)F)c1 1310837471 AJDHQYYSDWSDPX-QGZVFWFLSA-N 434.462 4.931 30 10 IJEE COc1ccc(C[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1OC 1358155614 GSQWBELNJPNZDB-NTKDMRAZSA-N 428.532 4.854 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(C)cc(C(F)(F)F)n1 1358207811 GXVZUOTZBHBQNN-UHFFFAOYSA-N 432.215 4.534 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1Cc1cccs1 1358914223 MMNZKSJYKHXVDZ-OAQYLSRUSA-N 434.609 4.954 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nc(C(F)(F)F)cs1 1358942897 NYSCIJNDSIKIER-UHFFFAOYSA-N 446.285 4.845 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@H]1CCO[C@@H](C)C1 1358951834 NSRVQYAJHPPOLR-PMACEKPBSA-N 445.007 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(OC(F)(F)F)cc1 1359072759 PSXQEKKHFRNYFV-OAQYLSRUSA-N 446.498 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1359100370 ANTMOIBDAHLNHZ-GCJKJVERSA-N 430.980 4.814 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C2CC2)C1 1359136164 BHRAZSIHJLATGX-NRFANRHFSA-N 438.616 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359185091 KYWCGGJBSBKWMD-VQTJNVASSA-N 438.572 4.959 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1 1359244712 NYNZEURNCWGWBQ-UHFFFAOYSA-N 434.053 4.968 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1CCN1CCCC(C)(C)C1 1359276781 PIDTTXRWTWURNG-UHFFFAOYSA-N 433.600 4.895 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)CC2CC(F)C2)cc1 1359308565 RXJUPGUTFDXFTL-UHFFFAOYSA-N 426.561 4.728 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)Cc1ccc(Br)cc1)c1ccc(Br)cc1 1436652299 YKFFZXMTICHMAX-SCLBCKFNSA-N 435.159 4.881 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C 1460781867 SBXPDNSKSRBYKP-INIZCTEOSA-N 426.351 4.956 30 10 IJEE C=C[C@@H]1OCCC[C@H]1N[C@H](C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 1462260411 KZQNXRWZNGQSFH-AHRSYUTCSA-N 442.581 4.632 30 10 IJEE C=CC1(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)CN(C(=O)OC(C)(C)C)C1 1464770160 MEPMZSMDIXZXDR-UHFFFAOYSA-N 446.551 4.659 30 10 IJEE C=C[C@@H](C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1465512187 TZZMRCSOGDIGJT-JWQCQUIFSA-N 433.573 4.828 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)c1cccc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1467597866 CAFKGSCERZOJBM-FQEVSTJZSA-N 433.980 4.835 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 1468608348 TURIMJHRFOIMLT-UHFFFAOYSA-N 427.504 4.793 30 10 IJEE C#C[C@@](C)(CC)N[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 1473488862 TVSFYSBYESQZDE-REWPJTCUSA-N 434.521 4.790 30 10 IJEE C#CCOc1ccc(CNc2cnn(Cc3ccc(Br)cc3Cl)c2)cc1 1474174842 QOUBVVQVDIIKQW-UHFFFAOYSA-N 430.733 4.971 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccc(F)cc1 1478760596 OUHKXEVKNWUODS-FGZHOGPDSA-N 439.531 4.628 30 10 IJEE C#C[C@H](NC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 1478893660 LFTOBMWZTUOBCO-HNNXBMFYSA-N 431.842 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1ccco1)N(CC)CC 1507521730 BIUNRBQMKNMXGP-ICSRJNTNSA-N 431.540 4.825 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1507556905 LXMKKLNSTTYILH-HBFSDRIKSA-N 430.980 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCCC1(F)F 1507673423 UOFOBXIAOVXAFE-OAQYLSRUSA-N 440.538 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)s1 1507803292 GJMKKRWOJABPAR-AUSIDOKSSA-N 440.588 4.996 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C1CC1 1507806299 MLQCCJYJFKBUSB-WZONZLPQSA-N 445.007 4.831 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1nc(C)cs1 1508029100 YCXSLEGWKRGGCT-QGZVFWFLSA-N 434.569 4.737 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C)=C(Br)C1 1508151079 UGBAUMNJXSKMIU-UHFFFAOYSA-N 449.418 4.752 30 10 IJEE C[C@H](NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1515234566 FKAMQKIZYCELRL-SIBVEZHUSA-N 443.522 4.615 30 10 IJEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)Oc3ccccc3OCC)c2)CCCC1 1521315926 HVTANEWJCPLZIP-UHFFFAOYSA-N 443.565 4.719 30 10 IJEE Cc1cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)nn1-c1ccccc1Br 1528931894 BJILSWLORZWIFC-IBGZPJMESA-N 435.325 4.622 30 10 IJEE CCOC(=O)N1[C@H](C(=O)Nc2cccc(C#N)c2Br)CC[C@@H]1c1ccc(C)o1 1529123946 GOUWXAACAFPAIR-CVEARBPZSA-N 446.301 4.523 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)C1CCOCC1 1529521186 COMVBZFMXLOKFN-FQEVSTJZSA-N 444.394 4.900 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)c1ccc(Br)cc1 1535483553 MZUZQEHDCHIALI-IBGZPJMESA-N 443.341 4.669 30 10 IJEE C#C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccc(Br)cc1 1535483976 UOFIPEKJAZIVMV-CQSZACIVSA-N 429.058 4.594 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1OC 1537411103 LQKYUEIHYOZZAG-KRBQFTMOSA-N 427.928 4.915 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)OCc3ccc(Br)cc3Cl)C2)c(F)c1 1538872209 HTXQZXXEWCMHPV-ZDUSSCGKSA-N 437.696 4.683 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCSCC(C)C 1538984414 IMJVGOWESVUHQH-INIZCTEOSA-N 435.435 4.945 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCC1(F)F 1539253587 WJVRZGRHJDOPGW-MRXNPFEDSA-N 447.327 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc(C)cc(C)c1 1539336966 AXEVBWJFFLINPR-DNQXCXABSA-N 432.612 4.519 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)[C@H](C)CC 1539343652 OMDFVATUMJSNCE-YDIMBITNSA-N 447.023 4.945 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cc(C)cs1 1539497180 HVSHOPGWURZALG-UHFFFAOYSA-N 448.621 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)c1ccccc1 1539569870 KPFNCFSFQVQWKH-AZSVPQILSA-N 449.643 4.715 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539671753 NNLITXGXHPLEMR-LJQANCHMSA-N 441.620 4.741 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1539983494 YITQIIKNIPLODR-JOCHJYFZSA-N 439.604 4.843 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1540151809 MPZQNPUIQOIFGK-JTHBVZDNSA-N 436.648 4.911 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@H](n4cc(C)cn4)C3)nnc2C(C)(C)C)cc1 1540878988 OJFJMGUHAXQLCA-NRFANRHFSA-N 434.588 4.535 30 10 IJEE C=C(C)CCC(=O)Nc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)cc(Cl)c1Cl 1543290125 DNKAGJNISYVOMK-MRXNPFEDSA-N 428.404 4.994 30 10 IJEE COc1ccc(C)cc1N1C[C@H](C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)CC1=O 1544382800 COPJERIZINOUTK-OWCLPIDISA-N 437.565 4.614 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nccn2CCc2ccccc2)s1 1545372599 ICTLOGVJDLRDAD-UHFFFAOYSA-N 447.029 4.594 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC#N)CC1)OC 1545797826 AJHLSPJPSPKSFD-QHCPKHFHSA-N 434.588 4.788 30 10 IJEE COC1(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)CCC1 1554707129 HEHKNALHCYICFY-IBGZPJMESA-N 438.334 4.653 30 10 IJEE C#C[C@@H](CC)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1556484639 CUDUTPATFIKKCK-IBGZPJMESA-N 426.582 4.543 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)c1ccccc1 1557749701 QYGZPWFINOQJSD-IAGOWNOFSA-N 429.358 4.566 30 10 IJEE COc1cccc([C@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)c2ccc(CC#N)cc2)c1 1561267892 GZHLZRWANDCHOS-VWLOTQADSA-N 434.561 4.640 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(F)cc2OCC#N)c2ccccc21 1566390483 HANSOXRUPOCOAJ-HNNXBMFYSA-N 425.460 4.596 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1566764038 JYZLBJDXCYLKQK-KRWDZBQOSA-N 443.935 4.585 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccc(Cl)s2)on1)[C@H](Cc1ccccc1)C(=O)OCC 1567605978 QLJDYSIDDNUQLS-QGZVFWFLSA-N 444.940 4.859 30 10 IJEE C=CC[C@]1(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CCCN1C(=O)OC(C)(C)C 1586934278 PETYJFQMBRCNAQ-YCRPNKLZSA-N 440.993 4.647 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1587915490 MDZKYHFIOLQEED-NDIWIEOSSA-N 437.632 4.615 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1588117755 PNJIPLMQEOBILS-MOPGFXCFSA-N 437.469 4.860 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1588271113 DUVYKBFJPVXSDS-JOCHJYFZSA-N 433.644 4.718 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1589636644 BQXXRNMQFBLXHJ-HSZRJFAPSA-N 434.588 4.521 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccco1 1593718471 ZJRPKTHIVYBXNZ-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccs2)CC1 1594209500 YLZQWWVGRFGRHG-UHFFFAOYSA-N 430.375 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2c(ccnc2O)C1 1594521755 RDDBKLUOTNJUBQ-UHFFFAOYSA-N 447.583 4.740 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1594679661 HDKPALUGOLJMCB-FHWLQOOXSA-N 430.980 4.901 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)OCC)CC1 1594692971 LUVDRVXADQDKEI-UHFFFAOYSA-N 443.617 4.520 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1596806005 BLEUOBYQROWUGR-XMERXJNXSA-N 445.615 4.600 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)cc21 1616147323 VUEUURQTJALPIE-UHFFFAOYSA-N 425.414 4.738 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1OC 1621192215 QKWXEHJFKTYFOU-UHFFFAOYSA-N 432.923 4.903 30 10 IJEE C=CCCC[C@H](C)NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1623908635 MLZRHCYEDFBGOA-NRFANRHFSA-N 445.607 4.542 30 10 IJEE C=CCCC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 1629735739 ATNYDTNJRDOKHK-HSZRJFAPSA-N 425.548 4.684 30 10 IJEE CCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1631705448 GYDZXCJHUKZUHN-UHFFFAOYSA-N 448.548 4.660 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1632411740 APFATJCLQCVVDA-LADGPHEKSA-N 440.609 4.882 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C 1633040261 LHWIQBVYBVNTCV-UHFFFAOYSA-N 428.536 4.968 30 10 IJEE C=CCn1c(S[C@@H]2CCN(C)C2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1640602571 KLAOINCBCRZEBY-DOTOQJQBSA-N 430.643 4.666 30 10 IJEE C=C[C@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl)C(=O)OC 1640651451 ITEYYDLSUSHTTE-SFHVURJKSA-N 449.359 4.766 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CCO)c2ccc(Cl)c(F)c2)s1 1642715610 YRAABDQPXVXTFE-HNNXBMFYSA-N 449.400 4.871 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@H](C)C(=O)Nc1cccc(C#N)c1 1645023505 FWOVUKFZUGWBKN-VGOFRKELSA-N 444.501 4.895 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCCC3 1645353842 RFHNAPTZJOFBLC-HOCLYGCPSA-N 431.627 4.760 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1648937599 HPKWTTOTAHJCPL-UHFFFAOYSA-N 445.338 4.697 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1653690291 CABRGNFXYNINSJ-FGSXEWAUSA-N 445.485 4.803 30 10 IJEE N#Cc1c(NCCc2cnc(SC3CCCC3)nc2)nc2c(c1C#N)CCCCCC2 1655515685 FEPSWNGLAGSEOA-UHFFFAOYSA-N 432.597 4.963 30 10 IJEE C#CCN(CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1657340419 SFMUJWNYHLVFHF-LJQANCHMSA-N 447.760 4.890 30 10 IJEE C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(N2CCNC2=O)cc1 1658199890 ASFYLPZQYQICQA-KOSHJBKYSA-N 439.519 4.754 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)cc1 1661120276 TYGNLQYLSCZVGF-YWZLYKJASA-N 438.387 4.622 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCOc2cc(OC)ccc21 1662573435 JNVFJLFULQLPRD-INIZCTEOSA-N 433.302 4.668 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1c(F)cc(Br)cc1F)c1ccc(F)c(F)c1 1663463105 HGFYRNGBCAWVBL-HNNXBMFYSA-N 438.240 4.601 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1663755233 BPNOOCHYARBKDP-UHFFFAOYSA-N 438.524 4.845 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1666717444 PQZAVCUINGOTFT-MOXWOTFGSA-N 433.618 4.610 30 10 IJEE C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)Oc1ccccc1Br 1666747726 GCZYNKJHWUVILL-NSHDSACASA-N 440.244 4.511 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1)c1ccc(Cl)cc1F 1667506057 DRSJVALPIVTEOP-VFNWGFHPSA-N 427.907 4.990 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1669545579 VMTSTLIBOXOLSH-MRXNPFEDSA-N 436.314 4.935 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H](OC)C1(CC)CC)[C@H]1CCOc2ccc(Br)cc21 1670855859 UOPSMTBSOSJAMW-SXLOBPIMSA-N 449.389 4.511 30 10 IJEE C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1673085076 HKTXKQFYXFYPAJ-KBMIEXCESA-N 443.588 4.791 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc3ccc(Br)cc3nc2Cl)cc1 1673718696 UUTCFCPPTRCPHG-UHFFFAOYSA-N 444.716 4.984 30 10 IJEE CCOC(=O)C[C@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(OC)c1 1674514229 HLVKWKLDMVXUIU-JXFKEZNVSA-N 441.553 4.905 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)c3ccc(NC(=O)c4ccncc4)cc3)cc21 1674679332 HNCLPSAZRKTHLK-KRWDZBQOSA-N 440.507 4.752 30 10 IJEE C#CCN(C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)[C@@H]1CCCc2ccccc21 1675141272 AHHOOPWNIOPIRB-LJQANCHMSA-N 443.425 4.581 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)[C@H]1CCCc2ccccc21 1675179647 AEALOERICHRRKH-DQEYMECFSA-N 431.580 4.555 30 10 IJEE CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1cc(C#N)c(F)cc1F 1680087932 HTIOLCBUEMFCJH-UHFFFAOYSA-N 439.466 4.556 30 10 IJEE C#CCN(C(=O)NCCc1cc(C)ccc1F)[C@@H]1CCOc2ccc(Br)cc21 1681169447 BJOBYTHPMWQCBA-HXUWFJFHSA-N 445.332 4.608 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cccc(C(F)(F)F)c2C1)c1ccc(Br)cc1 1682357212 VHRZOHOXAZDREX-GOSISDBHSA-N 437.259 4.910 30 10 IJEE C#CCN(C(=O)NCC[C@]1(C)C[C@@]1(F)Cl)[C@H]1CCOc2ccc(Br)cc21 1683566461 YGPINGHRHLHJFT-IPELMVKDSA-N 443.744 4.622 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(Cl)cc1 1683675898 HOVUWXOLJQSSOR-FPOVZHCZSA-N 425.319 4.889 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173366 HABBBTWQKFBZEC-ICPLQIHGSA-N 435.515 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](OC)[C@@H](C)CC 1689831582 NGBOQTMJEPIZJE-JXQFQVJHSA-N 433.600 4.872 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](OCc2ccccc2)C1 1689881566 UTHPLPDBLOKXPT-NRFANRHFSA-N 435.959 4.593 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCc1nc2c(s1)CCCC2 1689973663 KYRAATOPWKTSKU-UHFFFAOYSA-N 449.624 4.511 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@H](C)C1 1690095987 KVXABNRMCMZIRM-GBESFXJTSA-N 426.630 4.654 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1690161322 ARERDLJZAOJSQO-FCHUYYIVSA-N 438.641 4.757 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(F)(F)F)CC1 1690244178 URDYBUWPQIQJKK-AZUAARDMSA-N 449.521 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(Oc2ccccc2)nc1 1690261269 FAVXODUIIHKBBB-UHFFFAOYSA-N 426.524 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1690265024 IRYFPGCEGITKSD-DNQXCXABSA-N 437.632 4.720 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCC1CCOCC1 1690306576 XRURJYVBFZPYOJ-UHFFFAOYSA-N 436.959 4.583 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1690444210 CHBLDMWNPFVEML-QPTUXGOLSA-N 438.616 4.785 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1690546551 AVKCXPJGACDAFT-WOJBJXKFSA-N 425.596 4.531 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1CC1C[C@H](C)O[C@@H](C)C1)C1CC1 1690553646 BGXWKZZBLGMDSN-ROUUACIJSA-N 442.629 4.937 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCN1CCC[C@@H](C)C1 1690559675 JBELQFUCXOIURK-OAQYLSRUSA-N 434.632 4.663 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC1(SC)CCOCC1 1690567663 KZBPIESXJNYEKK-UHFFFAOYSA-N 432.609 4.820 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)cc1F 1690577748 MCQVGRMIYQXVHW-INIZCTEOSA-N 432.952 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690598806 ACXHMGOHBINUKY-PKOBYXMFSA-N 444.505 4.989 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC[C@H](C)C1 1690602314 LRPPNQGWVOYZKN-FCHUYYIVSA-N 432.616 4.629 30 10 IJEE C=CCSCCn1c(N2CC[C@@H]3CCN(Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C 1690750415 IYGHDDHXSOPXNI-LEWJYISDSA-N 425.646 4.553 30 10 IJEE N#CCC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccco2)CC1 1698494170 GRRDIOXHPOWOHU-UHFFFAOYSA-N 427.961 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](SC)C(C)(C)C 1705486694 KAKNPVCIMFNMKA-PBHICJAKSA-N 435.435 4.943 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(OC)c(C)cc2C1 1705511879 ISSJWHZDWQCNJW-UHFFFAOYSA-N 435.959 4.677 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CC=C(C(F)(F)F)CC1 1705519901 AYMBSMXDBMXVKG-UHFFFAOYSA-N 427.474 4.783 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCCC=C 1705670079 IABXLSATOFPVAG-OAQYLSRUSA-N 429.362 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1705714613 BCRWKSCQEOHHNQ-GMAHTHKFSA-N 434.588 4.557 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(C)(C)C)CC1 1705731776 CGHRGYOROMYQDL-UHFFFAOYSA-N 437.588 4.595 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Cl)s1 1705733283 KZPBXKUZMLKLEK-UHFFFAOYSA-N 438.384 4.938 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1705748613 UNPXVNCRLFXWMN-QHCPKHFHSA-N 446.979 4.502 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCOCCOC)CC1 1705762743 HFPRNDJSLPZSRE-LJQANCHMSA-N 448.995 4.508 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1705765548 RBWYHLFDENQEEC-QZTJIDSGSA-N 445.405 4.988 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1705796437 FDQZJSLJDODGGF-NSHGMRRFSA-N 438.526 4.823 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCC1 1705806692 KDPYLMDJGJBRFY-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1705808442 MZEJUJQYAXDURN-UHFFFAOYSA-N 438.616 4.990 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1705816047 SJBHCICISVKNCC-HXUWFJFHSA-N 443.473 4.903 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705820756 XZFVUWAKDSPYRK-UHFFFAOYSA-N 428.943 4.666 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705838229 HLNZDTBMSJAMBK-MRXNPFEDSA-N 449.983 4.533 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCN(C)C1CCCC1)C1CC1 1705850776 HYCJQUNZMIZDCM-UHFFFAOYSA-N 444.421 4.737 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722310173 HQEXACZVCIEQKT-LJQANCHMSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1722339584 XIIRTEQTYIFVRH-PGRDOPGGSA-N 445.007 4.526 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722348334 XKKLAENCBTXKAD-CALCHBBNSA-N 431.987 4.564 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(C)CCCS1 1722390718 FJQAAYZLSLYJIR-BWKNWUBXSA-N 436.625 4.784 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(Cl)s1 1722428406 YRONDRMATKTUOC-UHFFFAOYSA-N 447.029 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1722491097 HNSOTEYRJBXFPV-AZOUXBGGSA-N 438.616 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722512516 FOANSCVFKSIGHD-SFHVURJKSA-N 443.567 4.886 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(C)CCC1CCOCC1 1722548711 QEHPZHGCOBGAIS-UHFFFAOYSA-N 439.785 4.713 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(C)C 1722588333 QIKJLDAVZFDUNW-LJQANCHMSA-N 449.640 4.671 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@H]1C(C)C)C1CC1 1722648903 YNDOGOMVPKTWTI-JXFKEZNVSA-N 445.405 4.924 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)SC)C1CC1 1722649773 XZYJFJXIJWUJPL-QGZVFWFLSA-N 449.665 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@H]2C)C1 1722713652 GJDXBBNBRHAJBS-YVWKXTFCSA-N 445.405 4.925 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCc2cccnc21 1740599463 BCRUUIXXBGBEJP-IFMALSPDSA-N 429.568 4.619 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)c1nc(C)cs1 1740649549 XCEAECNDNSBOCB-DENIHFKCSA-N 431.609 4.852 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1CC(C)(C)c1cccs1 1740659428 YVHLKPMRTHIGBP-UHFFFAOYSA-N 430.621 4.956 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN1CCCC1 1740662553 UVZIKZINQSEDLW-JOCHJYFZSA-N 437.632 4.616 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@H]1C(=C)C 1740665254 VGMYBMOJHBMCCG-RDPSFJRHSA-N 446.551 4.558 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1nc(C)cs1 1740675557 RSTVEYUGSARBAC-QGZVFWFLSA-N 425.627 4.907 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)c2c(C)noc2C)CC1 1740841945 GXAMQMFJFULYSX-MRXNPFEDSA-N 439.535 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740849379 HVDUIYXNAJZWSI-JOCHJYFZSA-N 435.547 4.583 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCSc1ccccc1)C1CC1 1740907916 CYABZSJXQOKXRH-UHFFFAOYSA-N 444.402 4.983 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC1 1740915451 GWZUEHOWWVJGOV-UHFFFAOYSA-N 442.361 4.647 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)c1ccccn1 1740918739 USXYNVXOTRPUKK-JOCHJYFZSA-N 431.584 4.738 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCc1sccc1C 1748687426 JVBZLVJJRCMVIO-KRWDZBQOSA-N 426.611 4.650 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1C(C)C 1748736033 WKFGECQYBDOXJO-LJQANCHMSA-N 431.378 4.754 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1N(C)CCCC1(C)C 1748945642 WSZHPWUUHWUKEM-JOCHJYFZSA-N 439.623 4.766 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1749114403 BOZOMMSRZJLMMR-OAHLLOKOSA-N 445.283 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1749119101 NLJPQEJUFZRSMC-ADHNFCLRSA-N 426.605 4.641 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)N[C@H](C)CC 1749146931 SFMAMMRACDPMNN-QZTJIDSGSA-N 443.661 4.839 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1749203664 HULYDZSAEWMHJP-NRFANRHFSA-N 447.583 4.918 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1749331366 YXVMOOCREDPLBO-HUUCEWRRSA-N 448.409 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1749357290 LNXWDKYJFQLORR-NRFANRHFSA-N 429.572 4.666 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(COC)CC1 1749421997 VHHAHJWRNJVPCV-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2)CC1 1749430759 SVTQOORHQRIPHZ-UHFFFAOYSA-N 428.024 4.943 30 10 IJEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@H](SC)C1 1749459407 JCABSXISDIRMEU-NRFANRHFSA-N 439.629 4.596 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC1(C)C 1749548830 LDJHLLJCPUESSH-JPYJTQIMSA-N 430.618 4.619 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C)C2(CCC2)C1)C(C)C 1749557880 NQOVLZLQOPGTPT-RJGXRXQPSA-N 441.664 4.845 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CSCCS1 1749560693 VNUUKWQYFWGTPW-IRXDYDNUSA-N 434.606 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CCc1nc(C)c(C)s1 1749579902 YKFMKPOQVKDWRW-UHFFFAOYSA-N 432.597 4.776 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 1749587415 SNVXGFLGUIXZTH-GOSISDBHSA-N 444.530 4.722 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCc1ncc(CC)s1 1760124923 MRJURVHYWBJKDQ-QGZVFWFLSA-N 425.627 4.598 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CC(C)C)CC1 1760244538 YQTZPIUGSGHDSP-UHFFFAOYSA-N 431.584 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC=CO1 1760292249 VOBWSGOYZFSWSC-HRAATJIYSA-N 445.336 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCC1CCOCC1 1760292602 FBWGEEVLAYCPMN-JOCHJYFZSA-N 443.389 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCSCC(C)C 1760298173 XZVAZLOOIGSWDA-JOCHJYFZSA-N 433.021 4.892 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCCSC 1760311788 APBAWJATAHVMFB-UHFFFAOYSA-N 439.423 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(C)(F)F)c1 1760329665 HGBSSXTWFSDKGY-DEOSSOPVSA-N 448.558 4.881 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760407003 RKDBPTRHRARWCF-MZEQIWSPSA-N 438.616 4.807 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760422542 JZAMBRCWAGMFAF-IBGZPJMESA-N 433.478 4.721 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760424105 WCFGUYRWRZBXSQ-FQEVSTJZSA-N 446.599 4.543 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cnccn1 1760424177 ZCDDQHXMGPOHSY-UHFFFAOYSA-N 445.340 4.629 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760436848 IENRYQCJHNHSII-RDJZCZTQSA-N 449.393 4.686 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1760444179 ZLXQYNMDYWNLAP-UXHICEINSA-N 449.020 4.574 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)Cc1ccccc1 1760457068 FMFIUELPWSRKII-IBGZPJMESA-N 435.641 4.886 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(F)(F)F)cc1)C1CC1 1760474874 LALJEUJDYWBNBH-UHFFFAOYSA-N 433.503 4.856 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC1(SC)CCC1 1760478038 SBWOOYBSISOSJQ-UHFFFAOYSA-N 437.613 4.771 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCSC1 1760498584 WWPMSXOXMMLXEG-FQEVSTJZSA-N 433.581 4.788 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)Cc2csc(CC)n2)cc1 1760529948 MPPJKCDMGSTTJV-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCCC[C@H](COC)C1 1760532865 HQPLNYXVYUANJS-FQEVSTJZSA-N 426.605 4.733 30 10 IJEE CSc1cc(Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)ccn1 1771422370 CKSJWEXWIVJCBD-UHFFFAOYSA-N 432.597 4.781 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(=O)n(CCC)c1 1861243985 UUYNLSBWHBMEBA-JOCHJYFZSA-N 433.637 4.660 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2C)cc1 1862389703 LPQSTPWPQDEWGT-XMMPIXPASA-N 434.580 4.868 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(F)cc2F)cc1 1862395842 ZSGLZNSZNDNARL-NRFANRHFSA-N 429.463 4.532 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862411916 RFQLKRUMHCKDML-HSZRJFAPSA-N 449.453 4.882 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862476467 AOZKEEMHEBRLAB-QHCPKHFHSA-N 432.520 4.870 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862558104 PNGWDJPTAGUYGV-JOCHJYFZSA-N 449.507 4.868 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 1862674471 XRPXXZIVGZKRON-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678863 VYXCGXRNYRPUBX-LJQANCHMSA-N 429.806 4.990 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2cccc(F)c2)cc1 1862688429 WIZAFMYZVAHDEA-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(F)cc2)cc1 1862688627 XREUAEDYWVZGHG-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862690760 DIVDNHKICTWNEN-VXWZWFMZSA-N 448.563 4.918 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862759772 YAGSSTSFAGSRTH-XIKOKIGWSA-N 448.397 4.990 30 10 IJEE CC(C)Oc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862769114 ROQNHSJGMLWUEG-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@@H]1c1ccc(C(C)C)cc1 1865150267 CPNIIERBYBDVCQ-QHCPKHFHSA-N 448.611 4.866 30 10 IJEE N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCc2cccc(Cl)c2)c1 1867125637 JWNLRGBOTJTXJW-DEOSSOPVSA-N 445.950 4.901 30 10 IJEE CCc1ccc(-n2nnc(C#N)c2NC(=O)/C(=C\c2ccc(OC)cc2)c2ccccc2)cc1 1870142592 QKCCDSJIAOVMQY-ULJHMMPZSA-N 449.514 4.889 30 10 IJEE CCc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)cc1 1870144932 OATZSIGABXJKMR-UHFFFAOYSA-N 425.492 4.652 30 10 IJEE CCCCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CC(O)C1 1870624444 AIPKAUCPVRRAEZ-UHFFFAOYSA-N 444.591 4.884 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCCC)cn1C[C@@H](O)c1ccc(Cl)cc1 1870678963 SMDVLXKOMTZTQE-XMMPIXPASA-N 445.003 4.978 30 10 IJEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CNc2cc(C)cc(C)c2)cc1=O 1870813701 XEHPKZCXYFDVEW-RUZDIDTESA-N 447.579 4.651 30 10 IJEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CNc1ccc(C(C)C)cc1 1870930377 RQOCTLZWOYFSII-UHFFFAOYSA-N 437.584 4.551 30 10 IJEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871089242 CIEGMWYFCXVEHY-UHFFFAOYSA-N 438.890 4.894 30 10 IJEE COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCOc2ccccc2)C3)C1=O 1871352714 ZEFDIWDZMJEATC-IWIPYMOSSA-N 443.499 4.851 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)cc1OC 1871374630 UVUQZGPJEGMDRA-FMCGGJTJSA-N 430.456 4.777 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)C1CC1 1872176177 FGBCGZCEXGSMMJ-QFIPXVFZSA-N 436.618 4.733 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872529473 HJLOYVWHIPAPBJ-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE COc1c(C)cc(Cl)cc1-c1csc([C@@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 1872786504 MAXBOMBWAYTAJV-BBRMVZONSA-N 445.972 4.604 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2ccccc2Br)C1=O 1873253520 GAOFGLKCIMCIMU-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccncc1 1874216450 UHUBICKYNUNBFR-ZVHZXABRSA-N 427.961 4.889 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1cccc(OCC)c1 1874227247 VFMRLVJJLXGDOY-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccccn1 1874355646 UQISWPRHUDWONL-VULFUBBASA-N 433.512 4.704 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)n2/N=C/c2ccco2)cc1C 1874355813 CKPSHGZZRASETA-MFKUBSTISA-N 445.548 4.692 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)c(O)c1 1874375901 TXAHURLATXTILS-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874390525 RGYONHDHTUVDSP-YDZHTSKRSA-N 435.380 4.841 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874480759 KOVJIZIRKLZBNI-SRZZPIQSSA-N 429.373 4.855 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)c(OC)c1 1874487127 AODRMIQMQVVDCE-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE COc1ccccc1C(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1 1874717150 BCALAMLKJPAHBE-WYMLVPIESA-N 448.471 4.836 30 10 IJEE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1904836006 CPCBZGQRLFHIPP-DLBZAZTESA-N 439.940 4.513 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 1922077310 MOBSTWXDTVNSNW-GCFVYEKYSA-N 434.624 4.543 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCN(Cc2ccccc2)CC1(C)C 2037425653 FURBALOJEZBDPG-IXCJQBJRSA-N 436.640 4.791 30 10 IJEE N#Cc1cnc2c(-c3cccc(I)c3)c(C(F)(F)F)nn2c1Cl 2081445269 OKHWNJUSPJXSAO-UHFFFAOYSA-N 448.573 4.545 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1Nc1ccc(C#N)c(Br)c1F 2105973907 FAAPLYYIIVKUKB-RYUDHWBXSA-N 426.330 4.763 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCNc2cc(Br)cc(F)c2C#N)CC1 2107439504 ZVVBSFWZPOHUCU-UHFFFAOYSA-N 426.330 4.909 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2110499959 FLQWGKCPXWVBGV-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC(C)[C@@H]1[C@@H](Nc2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2126372273 QSKLFBMCKBMEBX-DOTOQJQBSA-N 426.330 4.906 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NC(=O)c1cccn1Cc1ccccc1 2139001324 UROTWKDNTCEPQD-UHFFFAOYSA-N 430.357 4.705 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(Cc1ccc(Br)cc1C#N)C1CC1 2174558957 FMNZBFSMMSZSDS-LJQANCHMSA-N 434.378 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CN(c2ccc(C#N)cc2Br)C2CC2)C1 2174811845 CZTGBHINDYUSQB-INIZCTEOSA-N 434.378 4.937 30 10 IJEE C[C@H]1[C@H](C(F)(F)F)N(c2cccc(Br)c2C#N)CCN1C(=O)OC(C)(C)C 2174817534 POKAKXQCEKUOAE-XHDPSFHLSA-N 448.283 4.697 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2c(F)ccc(Br)c2F)NCC)C1 2197745821 PWHRHXSIOXGQST-MRXNPFEDSA-N 445.348 4.861 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1coc(CNC(=O)OC(C)(C)C)c1 2235720673 HUQLDNDSFLUEQG-LJQANCHMSA-N 433.346 4.769 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@@H](O)C#Cc1ccccc1Br 2235725656 DOGCJIDFPGZCCB-PKOBYXMFSA-N 448.382 4.758 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)OCC(=O)O 2262198884 CSCGBAABRKCTJX-OFVILXPXSA-N 447.572 4.799 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 2281831968 HHGXWZSXHRFNDP-UHFFFAOYSA-N 449.400 4.970 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=Nc2ccc(O)cc2)N1c1ccc(O)cc1 2293031122 BSBXDLADQZFYST-UHFFFAOYSA-N 433.445 4.815 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]12CC[C@H]1CCN2C(=O)OC(C)(C)C 2296218006 ZVUDKHXLXHFGQL-KPLVRAHFSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2296224997 PYLWEZJOYSEAKD-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CCN(CC1CC1)C(=O)OC(C)(C)C 2296271673 FOPUXBKLDCGIFW-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](N)C#Cc1ccc(Br)cc1 2296290740 HDFRCWQJDHTXMN-AABGKKOBSA-N 435.406 4.657 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H]1CCCN1C(=O)OC(C)(C)C 2296300300 GJILCRQAYMKULT-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CC(C)c1ccc([C@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN(C)C)cc1 2296930171 DIZOTUQIGADFMH-DEOSSOPVSA-N 446.547 4.930 30 10 IJEE COc1ccc([C@@H](CNc2oc(C=Cc3ccc(F)cc3)nc2C#N)N(C)C)cc1OC 2297679778 LYTYAJUOPTYMFB-HXUWFJFHSA-N 436.487 4.588 30 10 IJEE CSCC#C[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2299660710 PIEIXFQFEQKAMY-BVAGGSTKSA-N 433.573 4.572 30 10 IJEE CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Nc2ccc(C=CC(=O)c3ccccc3)cc2)c1 2313669905 NNURLGVEAMTISA-UHFFFAOYSA-N 443.455 4.686 30 10 IJEE C[C@@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317355032 UAOOKLDKHZTTPK-OFHUKCQUSA-N 429.370 4.536 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC)n1N=Cc1ccc(C(C)(C)C)cc1 2321034407 DULFHJQWHOKGAP-UHFFFAOYSA-N 429.634 4.761 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccc(C)c3)CO4)C2=O)c(OC)c1 2322216635 WNFKWSMCOUYLOU-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1C 2322416298 NFAQCFJMDAMDQR-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1c(OC(=O)CNC(=O)c2ccccc2)ccc2c1OC(=Cc1ccccc1Cl)C2=O 2323054988 ZOATYNVZSLRKQK-UHFFFAOYSA-N 447.874 4.600 30 10 IJEE COc1ccc(-c2csc(NN=Cc3cc(Cl)c(OC)c(OC)c3)n2)c(OC)c1 2323858540 JCPBGFBIJYQXKT-UHFFFAOYSA-N 433.917 4.944 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OCC(=O)NCc1ccccc1 2324194686 IIDWADXXVVGCJZ-UHFFFAOYSA-N 433.479 4.816 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc(Cl)c1OCC(N)=O 2324266072 MQRDQCIQRCPJDF-UHFFFAOYSA-N 445.943 4.939 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(OCC(=O)OCCOc4ccccc4)c3C)C2=O)c1 2325745062 OXYFJYUKVTXTAB-UHFFFAOYSA-N 444.483 4.921 30 10 IJEE CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2328051388 LZRRMUBFFRFPHG-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccn2C)cc1 2328573791 NMRJOUUKJGVFOK-UHFFFAOYSA-N 449.555 4.724 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc(O)cc2)cc1 2329248391 XJOZAQYLEATNGU-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE Cc1ccccc1CCc1nnc(SCCCO)n1N=Cc1ccccc1OC(C)C 2329507073 OZYMRDYUKGWVQA-UHFFFAOYSA-N 438.597 4.516 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)c1 2330778067 UCUBPYCMQRAPLE-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C1CCC1 2331543754 PSGAXMWERZGKLG-MRXNPFEDSA-N 439.610 4.767 30 10 IJEE N#Cc1cc(Br)cc(Nc2cc(F)c(F)cc2I)c1 2351708343 FFSITWZKHFKTLJ-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1OC 2365228460 PSRKGTMREKCTAV-ZWKOTPCHSA-N 439.394 4.723 30 10 IJEE C[C@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 22464911 DMRTURBGWJGYTF-HNNXBMFYSA-N 444.512 4.523 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O 23559692 UFMUQQSCIJKYAM-GOEBONIOSA-N 427.595 4.619 30 10 IJEE O=S(=O)(c1ccc(-c2csc(N/N=C/c3ccccc3)n2)cc1)N1CCCCCC1 33790108 PBVQFJCUJGCQGP-XQNSMLJCSA-N 440.594 4.821 30 10 IJEE C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C 36304778 WSWJHSJLOMTAOH-XMMPIXPASA-N 447.579 4.503 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1[N+](=O)[O-] 41012183 IADWLEVRAOKBIB-SECBINFHSA-N 444.494 4.851 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c(OC)c1 41291900 LWWGGFSCARDEKL-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(Cc1cccs1)CO2 41587249 PKTNZWYSLDVQSL-UKWGHVSLSA-N 434.473 4.933 30 10 IJEE CCN1C/C(=C/c2ccc3c(c2)CCCN3C)C(=O)/C(=C\c2ccc3c(c2)CCCN3C)C1 104377070 QHBSPRQDIHOKST-MFYXSQMNSA-N 441.619 4.823 30 10 IJEE C=CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@@H]12 169681496 HKIZPQHMPAPCJL-CTNGQTDRSA-N 449.904 4.529 30 10 IJEE CCN1C(=S)N[C@@H](c2cc(Br)ccc2O)C(C(=O)c2ccccc2)=C1C 169931635 JHUNJJNGJZIVAX-SFHVURJKSA-N 431.355 4.563 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@@H]1c1ccc(O)c(OCC)c1 169974269 FYURQCSUCICUHJ-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1 169988453 QKOPQZVKZRFWPR-LJQANCHMSA-N 445.418 4.957 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc3ccccc23)c1 170045871 LNBTWUGSDJQNEU-XMMPIXPASA-N 445.515 4.853 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1cccc2ccccc12 170046214 NKHYDUDILAGCRW-RUZDIDTESA-N 429.516 4.774 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1 170055044 XGSFZOQOPOPKSJ-HSZRJFAPSA-N 431.463 4.655 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 170057241 JXISAXPAVFNJED-QFIPXVFZSA-N 427.928 4.662 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1C 170102990 XRHZTOHWHSYJCL-QHCPKHFHSA-N 449.478 4.865 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4sc(C)nc4C)[C@@H]3c3ccc(C)o3)nc2c1 170103804 BIOLQABVIOMZND-SFHVURJKSA-N 448.504 4.629 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cccc(OC)c1 170121269 GQDTXEWTXKVUBC-NRFANRHFSA-N 427.472 4.611 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)c(C)c1 170131181 GHTFRXCIEWOFRP-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(O)c(OCC)c1 170149123 WEISYTCNDXJNML-JOCHJYFZSA-N 439.508 4.566 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1cccc(OC(C)C)c1 170153306 PEORSJGZEVGBBZ-JOCHJYFZSA-N 441.499 5.000 30 10 IJEE CC(C)(C)c1ccc(N2CC(=O)C(c3nc4cc(N5CCCCC5)ccc4[nH]3)=C2N)cc1 170178568 QSQLFTUKFCMYLJ-UHFFFAOYSA-N 429.568 4.567 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)c1 170185377 FXUBBWTZNJQLRK-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)cc1 170204358 MDCNQFNSBXFEIY-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1C 170274691 ITAVDIDPAYYHIK-HSZRJFAPSA-N 442.515 4.794 30 10 IJEE C=C(Br)COc1c(Br)cc(Br)cc1/C=C\C(=O)O 380646272 WBWBJPRGVXVLSV-IHWYPQMZSA-N 440.913 4.597 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 437032600 LVBIYQNARCJTHJ-ZVZYQTTQSA-N 427.957 4.735 30 10 IJEE Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503021956 SUZDBCXGGLXAHQ-DEOSSOPVSA-N 426.488 4.913 30 10 IJEE C=CCN(C(=O)c1sc2nccn2c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 505402468 JJGBQDKREYCOCP-UHFFFAOYSA-N 425.495 4.569 30 10 IJEE C=CCn1c(CCCc2cccs2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 508909094 XTLFRHWYFIRDBG-UHFFFAOYSA-N 427.521 4.813 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 520598808 JYFKSEJUKMKQBY-UHFFFAOYSA-N 427.637 4.596 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccc2OC)c(OC)c1 526607881 YZAOXXACGWTLIC-XMMPIXPASA-N 442.471 4.641 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 555249677 WWHAXOLDESBDTP-PKTZIBPZSA-N 434.515 4.556 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 555254225 CYYHGBYETBXUKG-UHFFFAOYSA-N 439.579 4.634 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[S@](=O)C(CC)(CC)C1 559003454 BBIASVXMKQDBEQ-LJAQVGFWSA-N 432.659 4.582 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 581501542 BVSGTOQJTNFZFQ-AUSIDOKSSA-N 436.531 4.677 30 10 IJEE N#Cc1cccc(CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 586192739 IJHGSIXNEILIDI-UHFFFAOYSA-N 427.323 4.716 30 10 IJEE C=CCOc1cc(NCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1-n1cnnn1 586269102 QDBJSBWEDJFJIY-UHFFFAOYSA-N 434.544 4.525 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 609060734 CRGQMHZACQOEFZ-RUZDIDTESA-N 439.515 4.689 30 10 IJEE COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CNCc2ccc(C#N)cc2F)c1 609240094 VVZBQYMFUCDAMQ-UHFFFAOYSA-N 442.494 4.857 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cn2)c1 612526267 SCOHQWCKTVSRTL-UHFFFAOYSA-N 428.326 4.925 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 619829932 HNAIKNDQBAPLMB-UHFFFAOYSA-N 437.500 4.687 30 10 IJEE C=CCOc1c(Br)cc(CN2CCCC[C@H]2c2noc(C)n2)cc1OCC 678200243 IFOZWMOSPYXIHP-KRWDZBQOSA-N 436.350 4.831 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NC 701299889 PFMISWYHVBHBRF-LSDHHAIUSA-N 433.337 4.717 30 10 IJEE C=CCC1([C@@H](Cc2ncc(Br)s2)NCCC)CN(C(=O)OC(C)(C)C)C1 722941017 NTNZSDVMOBKANS-CQSZACIVSA-N 444.439 4.630 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 744838549 BXMGIZTUPBVCLH-BTYIYWSLSA-N 444.915 4.503 30 10 IJEE C=CCN(C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)[C@H]1CCS(=O)(=O)C1 775988140 OKJZSIOLJRDLSY-KRWDZBQOSA-N 439.364 4.867 30 10 IJEE C=CCNC(=S)/C(=C(/O)c1cc(Cl)ccc1Cl)[n+]1c(C)ccc(O)c1Cl 777509980 OAXZVFSBQYFHME-UHFFFAOYSA-O 430.764 4.935 30 10 IJEE CCOc1ccc(N=C2C(=O)N(CN3CC[C@H](c4ccccc4)C3)c3ccccc32)cc1 1084291437 MPCQRFSKRKETHB-NRFANRHFSA-N 425.532 5.000 30 10 IJEE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNc2ccc(Br)cc2)cc1 1084597808 UDYINDNWOXLHTE-UHFFFAOYSA-N 445.338 4.971 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 1128194250 ZCMDKBSQXRLSOX-AWEZNQCLSA-N 437.462 4.814 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)C(C)(C)C)c1 1130392989 DAFDINTZOBPFBQ-MRXNPFEDSA-N 434.989 4.886 30 10 IJEE C=CCCSCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1130881832 SQMSPOSCVXDOCL-XZOQPEGZSA-N 429.029 4.981 30 10 IJEE CCc1cc(C(=O)OC)ccc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1133740533 CHDGCPHRWKIKAG-UHFFFAOYSA-N 439.943 4.806 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)C(C)C)nc2cc(Cl)ccc2c1=O 1164459206 UEWYRNBCUOKFAJ-QINHECLXSA-N 448.032 4.857 30 10 IJEE N#Cc1ccc(S(=O)(=O)CCS[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc1 1164489201 FGMIYABPAPYMAU-NRFANRHFSA-N 428.966 4.903 30 10 IJEE CCC1(CC)[C@H](OC)C[C@H]1N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1167765639 GVEOQKVEHKELAT-FGZHOGPDSA-N 440.563 4.569 30 10 IJEE C=CCN(C(=O)CN[C@H]1CSC[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1194214300 XKIPBEFVPAGQRN-LRDDRELGSA-N 442.437 4.977 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(Cl)ccc1Sc1ccc(C)cc1C 1196556833 MRAPTJIVXHJBIS-UHFFFAOYSA-N 439.002 4.830 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)cc1 1198984746 HZCMXRQSLUYEKT-UHFFFAOYSA-N 426.476 4.646 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc(Cc4ccccc4F)no3)cc2)cc1 1199267223 FAMBHKXPSVJDIV-UHFFFAOYSA-N 443.438 4.785 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1 1203342662 IQGZBTDWQLEFBG-FQEVSTJZSA-N 443.931 4.740 30 10 IJEE Cc1ccccc1C1(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCCCC1 1226051472 FRTDYWVFRAGHJS-UHFFFAOYSA-N 434.559 4.740 30 10 IJEE C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1228452202 AZJRHYFRQBVAKC-QFBILLFUSA-N 439.581 4.796 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCN(CCCc3ccccc3)C[C@H]2CC(C)C)cc1 1251292029 ZBKPPKXHSVNFEB-AREMUKBSSA-N 447.623 4.573 30 10 IJEE Cc1cccc(F)c1-n1nc(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2c1CCC2 1265486856 BJZYLYJUJNMRNG-UHFFFAOYSA-N 428.389 4.951 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(C)C 1286291597 DDNJAUZQYFWAHS-MOPGFXCFSA-N 431.625 4.533 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1286323932 KCFBEWONABXDOZ-UHFFFAOYSA-N 431.506 4.695 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)Oc1ccc(F)cc1 1286365752 IPURZXOQJPIVIJ-DLBZAZTESA-N 438.572 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CN3CCCCCC3)C2)nnc1C(C)(C)C 1286565201 YTCJIOBVYRVVIC-ZLNRFVROSA-N 443.680 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCc1c(C)noc1C 1286582443 AYJNCLZXMKXTGB-UHFFFAOYSA-N 429.952 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](Cc1ccccc1)OC 1286583917 UPPYYNSRRQAART-YTFSRNRJSA-N 440.632 4.857 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1286603550 GHMWZQPETZHLKG-HNNXBMFYSA-N 439.387 4.848 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@](C)(OC)CC2)nnc1C1(c2ccccc2)CCC1 1286613901 IFESPSSFWNLBHI-VWLOTQADSA-N 438.616 4.736 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(CCOC)CCC2)CC1 1286651212 WPTMOEUBHKJATK-UHFFFAOYSA-N 442.629 4.942 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cnccc2OC)CC1 1286665780 OJKZOEKHSBKQPX-UHFFFAOYSA-N 435.597 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286667660 MHBPRVHKKBQJDJ-UHFFFAOYSA-N 444.645 4.513 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286673561 YMKYUPYALYHSGO-HZPDHXFCSA-N 437.009 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1Nc1ccn(C)n1 1286676183 XLMKXAZFWZYAPT-UHFFFAOYSA-N 445.365 4.699 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(c2ncccc2F)CC1 1286693164 VGBUHYAIAAUMCC-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1286739890 SHXDXDAVEOSLSN-UHFFFAOYSA-N 438.601 4.518 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1286744274 CQWLXBQOCJSGJD-JBYIUTFZSA-N 428.552 4.665 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1286830812 VAUXBKKQXBUNOE-HWWDLCQESA-N 433.419 4.862 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H](C)C1 1286836597 OKKVAPZDQUPIKN-FHWLQOOXSA-N 449.665 4.752 30 10 IJEE CCC1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1292449037 CZHYJBJHIFQUBB-GOSISDBHSA-N 446.020 4.923 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCCCC1 1300269975 ABORFZVAWDSLCN-MOPGFXCFSA-N 445.007 4.841 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC2(CCCC2)C1 1300394108 LUVDNZSBKUHYIA-UHFFFAOYSA-N 443.389 4.900 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 1300395022 ZWNGBFPZYMSKPB-SFHVURJKSA-N 449.368 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOCC(F)F 1300789265 DKVIVWNSQSSORF-QMHKHESXSA-N 448.583 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1CCc1nc(C)c(C)s1 1300924350 AEGLXZAHHBAOMM-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]2CCC[C@H]21 1301001812 NOYDUNMTRSREII-VQTJNVASSA-N 442.629 4.941 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[S@](=O)CC)CC1 1301069888 HDGYFWBPFMTSLO-MUUNZHRXSA-N 435.018 4.738 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOc2cccc(F)c2)CC1 1301096996 LSWOLCYDOQVBLC-NHCUHLMSSA-N 428.552 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)C1 1301141681 PTHMLMNYGHLENG-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(C)C)CC1 1301203711 XWWVAQLZOPBYSU-QFIPXVFZSA-N 425.621 4.779 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301222432 XFFGSJUDTRJWHE-GMKZXUHWSA-N 437.632 4.628 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1Cc2ccccc2[C@H]1C)C(C)C 1301366975 JJMDHROEAVJRRF-GZGNHOFSSA-N 449.643 4.952 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccncc2Cl)C1 1301538604 IZZPMACZGJTHPY-SFTDATJTSA-N 437.975 4.698 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(CCSC2)C1 1301617609 GFJUPLIDIHBKTH-HSZRJFAPSA-N 428.671 4.706 30 10 IJEE C=CCOc1ccc(CC(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 1304065648 FNSYNEVIHRKWAF-FQEVSTJZSA-N 436.552 4.839 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C)c2nc(-c3ccccc3OC)no2)cc1OC 1308738579 MLONCYKYSGIVTI-CQSZACIVSA-N 429.904 4.823 30 10 IJEE COc1cc(NC(=O)NCC2(c3ccc(Br)s3)CCC2)c(F)cc1C#N 1311033102 HKCKTLDVSIUUMK-UHFFFAOYSA-N 438.322 4.773 30 10 IJEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CCCC1 1348612552 RQBONJNYHAUHOM-OZIGNCPNSA-N 430.614 4.865 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3ccccc3n2CC)c(C(=O)OCC)c1C 1349734355 PFOJWRWEFGAIFG-UHFFFAOYSA-N 440.521 4.803 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1scnc1C 1358878473 XCRKDQJWKAZMDR-LSDHHAIUSA-N 425.627 4.597 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OC(C)C)CC1 1358906975 ZEKYZNBWAOAJHK-UHFFFAOYSA-N 432.515 4.744 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1358909825 SZYFRSZHUQYGHP-NRFANRHFSA-N 439.922 4.514 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1359013693 IPBXSIZQUPGLJA-GBXCKJPGSA-N 438.616 4.675 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCc1sc(C)nc1C 1359074087 QFCNHWXPDVXYOO-RUZDIDTESA-N 449.624 4.728 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1359078585 IESHOKFGUZYSGA-YOEHRIQHSA-N 432.322 4.531 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1c(F)cccc1Cl 1359084039 WUBPHOKSNDPVSS-ZDUSSCGKSA-N 443.748 4.510 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359119211 BWUVEZUJCDZUPN-AWEZNQCLSA-N 432.849 4.861 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@H]1CC 1359126938 DDEYTNQMAQIQLD-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CCOC)CCCC2)CC1 1359175496 NZBLJMNVAZVIEC-UHFFFAOYSA-N 439.560 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359185016 IVPQJERXAYIQAG-XDHUDOTRSA-N 441.576 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCCC2)CC1 1359192233 ZTISLXJNOWJCMD-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(F)cc2Cl)C1 1359325167 ZNACRAQWOAELBJ-HXUWFJFHSA-N 432.971 4.827 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccnc(OCC(F)(F)F)c1 1360643892 FVXMBLNNNCPNQS-UHFFFAOYSA-N 447.226 4.753 30 10 IJEE C#C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1 1436649345 SSHYDZPQTDQMFG-UXHICEINSA-N 430.907 4.578 30 10 IJEE C=C(C)c1cccc(NC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)c1 1439926572 YUBLPGVPRMMJPK-UHFFFAOYSA-N 446.576 4.632 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 1440618430 SBWCYHXVYZURIT-XMMPIXPASA-N 433.596 4.526 30 10 IJEE C#C[C@H](NC(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(F)cc1 1450083508 UWDHMZATTVLTRU-FQEVSTJZSA-N 430.508 4.708 30 10 IJEE C#Cc1ccc(C(=O)Nc2nc3c(Br)cc(OC(F)(F)F)cc3s2)nc1 1458170750 XZCMZKSXJOZVDA-UHFFFAOYSA-N 442.216 4.586 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 1460036082 HWGBKSYJKFICLI-UHFFFAOYSA-N 439.471 4.572 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NC[C@H](CC)Oc2cccc(Cl)c2)cc1C#N 1465970025 FACHSIOIQAKAHC-KRWDZBQOSA-N 430.892 4.759 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C)c1ccc(C(F)(F)F)cc1 1469492537 UTQCRFWNFLVMPA-RTWAWAEBSA-N 445.485 4.904 30 10 IJEE N#Cc1ccc(N2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1Br 1472798265 DMJKCPLGBMVMRW-KRWDZBQOSA-N 427.220 4.797 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)nc2ccccc21 1472916273 BQNDGSBLFQAKPN-INIZCTEOSA-N 429.973 4.894 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCCOc1ccccc1C(F)(F)F 1472963051 RHYIBBJWSVGYJA-UHFFFAOYSA-N 440.535 4.682 30 10 IJEE Cc1cc(Cl)c(Br)cc1S(=O)(=O)N[C@@H](CCC#N)c1ccccc1 1475118138 DRYCKLOAMJBATG-INIZCTEOSA-N 427.751 4.734 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)cc(OC)c1OC 1477658266 SWIWZVWLPDXMDQ-VWLOTQADSA-N 426.532 4.878 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(Cl)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1478247805 FEOUDEHDFZQJGM-OAHLLOKOSA-N 437.943 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1507537204 SRALFWRABXIEFJ-UWDQQESISA-N 447.652 4.780 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1507590244 AMIWBFIIMJNXMU-IBGZPJMESA-N 437.588 4.824 30 10 IJEE C=CCN(C)c1nnc(CCCc2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1507983125 RRUPPOXHKXROBW-UHFFFAOYSA-N 435.519 4.794 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCC(C(F)(F)F)CC1)C(C)C 1508011538 SQTGOOHMQYPKNY-LJQANCHMSA-N 427.559 4.879 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)[C@H]2C[C@H](OCC)C23CCC3)nnc1C(C)(C)C 1508108754 LGUIUVOYQZZMCX-VXKWHMMOSA-N 438.616 4.973 30 10 IJEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1514260499 DSTSUVNDXFUOSA-NRFANRHFSA-N 429.977 4.719 30 10 IJEE CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)COc1cccc(Br)c1C#N 1523511006 CYYWCGARYSGFFM-SFHVURJKSA-N 429.358 4.878 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)c1 1529028825 IAKMANWPRWUTMW-DLBZAZTESA-N 428.439 4.762 30 10 IJEE N#Cc1cc(F)c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)c(F)c1 1530677272 CSZRSJWZBXGPIO-QPJJXVBHSA-N 432.426 4.968 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1OC 1534802767 BNPQVVPYXDWGSW-UITAMQMPSA-N 434.883 4.623 30 10 IJEE C#Cc1ccc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)cc1 1537520802 YTLAVOWYHRAFQN-UHFFFAOYSA-N 425.197 4.827 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)c(F)c2)CCC3)nn1 1538920283 BNYVVLMSJKMTQC-UHFFFAOYSA-N 444.919 4.680 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCSC1(C)C 1538984483 JSIOPNLUJQJFEO-GOEBONIOSA-N 433.419 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C)N(C)C1CC1 1538985902 FNUBUPXIFMNUAQ-SJORKVTESA-N 437.588 4.753 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(I)ccc1C)c1ccc(F)c(F)c1 1538995427 HGSMPUKDPSCRHV-KRWDZBQOSA-N 427.232 4.925 30 10 IJEE Cc1cccc([C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C(=O)OC(C)(C)C)c1 1539034665 AZIUAUPMHNYWFZ-HSZRJFAPSA-N 446.503 4.852 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539079353 SIFBGTVQCDBFDV-AREMUKBSSA-N 438.616 4.919 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1539817749 VMYDODWYYHQWTH-UHFFFAOYSA-N 426.870 4.925 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(OC)c(Br)c2)CC1 1539828747 OHENSDVWUMNCES-INIZCTEOSA-N 433.394 4.962 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](OC)[C@H](C)CC)CC1 1539859089 KBMOGWPFPJTHKV-QUCCMNQESA-N 430.618 4.797 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(F)c(F)c2)CC1 1539861745 ZIQJOPWFITUCMK-WIYYLYMNSA-N 430.543 4.874 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1539948235 VKRDNIGJKAUGPZ-TZIWHRDSSA-N 430.556 4.664 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539955179 RSYYAODKEGQIRD-LJQANCHMSA-N 429.996 4.697 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1540088465 DUNCCPCLMSLMQA-AMGIVPHBSA-N 449.595 4.870 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1CCC(C)CC1)C1CC1 1540115164 BQZMEUNVPZHDLN-DHIUTWEWSA-N 443.680 4.864 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@@H](C)C1 1540148513 YDWPWBQSHMCDEZ-ROUUACIJSA-N 428.627 5.000 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1Cc1cc(C(C)(C)C)no1 1540194492 QITFDRPYDSVLQP-UHFFFAOYSA-N 429.952 4.571 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1540855469 VOKKPIAFPDYIOT-IBGZPJMESA-N 443.345 4.672 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)/C=C(/C)c3ccc(C(F)(F)F)cc3)c2C#N)C1 1540918892 XWGHTVPGUFIYBF-XFXZXTDPSA-N 433.455 4.585 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1ccsc1)N(C)C 1541106887 CBULCLFJFAAFFG-QFBILLFUSA-N 434.569 4.652 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1Cl 1543445763 CAVJJZTXCNQYTR-YPMHNXCESA-N 436.726 4.749 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 1544737683 SXGBTCSMJLIMFD-QGZVFWFLSA-N 426.344 4.516 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1OC 1560657906 DWFVAVGQRWFIBM-UHFFFAOYSA-N 438.996 4.992 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)c1 1562245111 BGDKIWJDWGFFMA-UHFFFAOYSA-N 444.491 4.997 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1563323067 UQNFEVQSKMKJHY-OAHLLOKOSA-N 426.314 4.579 30 10 IJEE C[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1564468140 HFIAHRWSOWGASI-JPYJTQIMSA-N 430.552 4.519 30 10 IJEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@@H]1CCCc2ccccc21 1564667527 AUTKFFSQUDSQSJ-DHIUTWEWSA-N 439.600 4.792 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](C(F)(F)F)c4ccccc43)CC2=O)cc1Cl 1583689113 FDSPHJQMFTYARE-PBHICJAKSA-N 447.844 4.647 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CCCC1 1584636122 UKHAIRRKQZUSCI-UHFFFAOYSA-N 428.554 4.505 30 10 IJEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N 1586711534 GKLPOZOXLKFVEB-JTSKRJEESA-N 449.551 4.716 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOCC(F)F 1587575361 UGZBFAIDQJKGPF-CYBMUJFWSA-N 438.931 4.943 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)COC 1588105146 NIIVHEVBGRBECJ-UHFFFAOYSA-N 436.556 4.558 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC1CCCC1 1588281015 WDXRNUAUPHZYCW-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC2(CCC2)C[C@H]1CC 1589116386 HGDDFFAHVAQJBL-GOSISDBHSA-N 428.577 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CCSCC 1589514156 DJBYMJYZDTZAQO-BWAGFHJFSA-N 439.629 4.766 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C)(C#N)CC1 1593711324 CTSQOPRDTOBHFD-UHFFFAOYSA-N 439.629 4.998 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CC(O)(CC)CC)CC1 1594208092 AUNDUZOPQNTKKW-UHFFFAOYSA-N 439.423 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CCSC 1594491609 GENOPEPADAIYBK-MRXNPFEDSA-N 440.617 4.774 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nc(C)cs1 1594559893 SQODRPYDLNDWDX-FQEVSTJZSA-N 439.585 4.786 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1594566265 CRJHECDESBNDFJ-UHFFFAOYSA-N 448.036 4.550 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(Br)cs1 1594626864 PVJIZTMCEMKRRI-AWEZNQCLSA-N 425.396 4.599 30 10 IJEE C=CCCCCn1c(N2CCN(Cc3cc(C)ccc3OC)CC2)nnc1C(C)(C)C 1594661058 PSIDKBOZVKKXGU-UHFFFAOYSA-N 425.621 4.571 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](COCC)C1 1594692713 DKNIONQTFBBUGH-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCC[C@@H]21 1594727232 MPPGPHXGKHNSBQ-AQNXPRMDSA-N 429.609 4.738 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCC1CCOCC1 1595871052 DMGRBQQZVWJHGO-UHFFFAOYSA-N 425.602 4.599 30 10 IJEE C#CC[C@@H](NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1596538938 UHCWNHFHZSIPNY-AFMDSPMNSA-N 438.527 4.794 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 1610944983 ARKJWXGCOUHITI-UHFFFAOYSA-N 425.319 4.618 30 10 IJEE COC(=O)c1ccc(-c2nc(COc3cc(C#N)ccc3Br)cs2)cc1 1614811574 FRGULGOHIMIASG-UHFFFAOYSA-N 429.295 4.810 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1 1615721716 RPADLNYSOPPLRK-IBGZPJMESA-N 441.531 4.685 30 10 IJEE C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 1623142565 BBBOFDWPLJFCHV-FUHWJXTLSA-N 436.512 4.577 30 10 IJEE C=CCC1(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CCCC1 1623974222 SJIOIFMARDRICX-UHFFFAOYSA-N 440.565 4.556 30 10 IJEE N#Cc1ccncc1N1CCN(C(=O)[C@@H](Sc2ccccc2Cl)c2ccccc2)CC1 1625326711 FGLMTHCOHJVWPW-QHCPKHFHSA-N 448.979 4.789 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4)n3)CC2)c(F)c1 1626031153 DWIMFLSNFSKQRV-UHFFFAOYSA-N 439.878 4.612 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)C1CCOCC1 1626126844 PTSNUSYCVCBUEM-FQEVSTJZSA-N 447.304 4.930 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1632362540 FRPJTOBOAUXWQG-HXUWFJFHSA-N 434.989 4.734 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccsn1 1632965602 CLYCZQJBQAYFPE-OAQYLSRUSA-N 433.533 4.955 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)c2ccncc2Br)s1 1633854302 KQAOVUCCPMDHBU-JTQLQIEISA-N 446.823 4.874 30 10 IJEE C=CCOc1ccc(CNC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1 1635152182 HEZQUZSPRWCXSS-NDEPHWFRSA-N 442.559 4.797 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC 1636156830 BYVHVJUFDPJRJH-JOCHJYFZSA-N 436.552 4.703 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1c(F)cccc1I 1638664431 OTJGMRGHGPNUGK-UHFFFAOYSA-N 425.241 4.580 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2(C)C)c1 1646177651 UZWZUKKQTYGWCZ-NRFANRHFSA-N 429.969 4.545 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(C)c2cccc(OC(F)(F)F)c2)ccc1Cl 1652444932 CPYGRJVXCLGDRJ-UHFFFAOYSA-N 425.838 4.930 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)Cc1ccc(OC)cc1 1653169015 ADSZCTPZRCBABI-UHFFFAOYSA-N 448.542 4.633 30 10 IJEE CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1654657813 DCSTXMQQEJOCBJ-GFCCVEGCSA-N 448.404 4.562 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 1654808560 BIMXFIMQVXEGIG-CJAUYULYSA-N 437.971 4.701 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)c(OCCC(C)C)c2)cc1 1658320153 FWJKGDHZDWMBDP-UHFFFAOYSA-N 445.585 4.870 30 10 IJEE C=CCN(C)CCN(CC)Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1 1658466067 JZTNNQNWBLDNJM-UHFFFAOYSA-N 429.362 4.592 30 10 IJEE Cc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3c(C)cc(F)cc3C#N)s2)cc1 1661587120 CBZSYCRILRBPRM-HNNXBMFYSA-N 429.542 4.786 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)cc2n1 1664853185 DMHPHEGSFYUXQM-HNAYVOBHSA-N 429.293 4.802 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1OCCN(CC)CC)c1ccc(Br)cc1 1666484497 IMGHHVNIZYESJN-LJQANCHMSA-N 444.373 4.666 30 10 IJEE CCOC(=O)N[C@@H](CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)CC(C)C 1670053828 HJWYALLSTPOEAW-LJQANCHMSA-N 440.569 4.992 30 10 IJEE Cn1ccnc1C[C@@H]1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1671433184 BNDWRTOUGGYVTE-SFHVURJKSA-N 431.565 4.930 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 1672209819 KGNGNXJRDBLCOR-GOSISDBHSA-N 448.361 4.956 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 1673313359 MLIVQQSPHAELNB-UHFFFAOYSA-N 448.445 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccnc(SCC)c1 1689832185 YCCQRJYXMZIMAI-SFHVURJKSA-N 442.592 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H](c1cccs1)N1CCCC1 1689858416 LWJXKANWNYLKME-FYYLOGMGSA-N 447.652 4.810 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](OCC)C(C)C 1690006121 JBNWYZVRKRUHFX-OAQYLSRUSA-N 438.641 4.800 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCC(F)(F)C1 1690071326 RXSKZXVKZZUTDL-IBGZPJMESA-N 438.526 4.806 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)C1 1690156060 ROYDWOUIXHFNJK-CRAIPNDOSA-N 433.021 4.901 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC)CC1 1690252477 FHQCEWFWOBPNSS-WMZHIEFXSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1690262949 UKJLYQUHHUOOQL-QPPBQGQZSA-N 448.615 4.984 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1690305039 VFAOTZZMPKFCIG-QFBILLFUSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccsc2Br)CC1 1690410301 HIIVECVXIDNKIM-INIZCTEOSA-N 437.407 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1690435310 YYPSZLXXGNOZJF-JOCHJYFZSA-N 431.584 4.869 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690476737 MXYNBIZOBLFFNV-HNNXBMFYSA-N 430.915 4.779 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690586688 SEYWJRVSDHHHBM-OALUTQOASA-N 444.023 4.665 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCS1 1690609501 QNQTUMVALFIMND-NJDAHSKKSA-N 444.645 4.920 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2CC[C@@H]2CCCCO2)c1 1692974199 GNNROXIEOYMDSI-QFIPXVFZSA-N 437.588 4.563 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCCC2(F)F)cc1OC 1697332615 ASMQOWKFABBYDG-NVXWUHKLSA-N 433.503 4.526 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@H]1C 1705512654 JYJJWHWSRIQCOX-HZPDHXFCSA-N 431.378 4.754 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705518507 MJKSRNVZSFPPSZ-UHFFFAOYSA-N 448.590 4.541 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1cccc(F)c1 1705593411 QLZIFLRXTBZBLF-UHFFFAOYSA-N 435.934 4.573 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1Nc1cnn(CC2CCC2)c1 1705687533 FHZJWBVDJUQJLO-UHFFFAOYSA-N 445.340 4.657 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2sccc2c1 1705711551 OOSZJTUHHVFIIZ-XMMPIXPASA-N 440.613 4.984 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1705784795 JKRXIRVNKLBWLV-GBXCKJPGSA-N 442.579 4.850 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCc2sccc2C)CC1 1705785837 YSSJSSVRUVGUFB-UHFFFAOYSA-N 438.597 4.881 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705813722 RJAAGEUPUXUSNN-DYVFJYSZSA-N 444.885 4.729 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C=C)CC1 1705826893 MNMFQPQJJHBZAF-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1705853983 LGTJKUIAYAJACZ-IBGZPJMESA-N 439.604 4.588 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705942608 YCZYWSDOXABOAQ-SCTDSRPQSA-N 446.686 4.912 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC1(C)C 1706462171 BBAXFAFNZMPVGQ-OAHLLOKOSA-N 433.398 4.848 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC[C@H]1CCCCO1 1722280066 IRSJCBMYXUAGAE-VQIMIIECSA-N 431.378 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722287050 LTBPXLVTOKTBRH-HBMCJLEFSA-N 444.627 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCc1ncc(CC)s1 1722513664 DWRLZFCIDSFGEZ-UHFFFAOYSA-N 431.556 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1cccnc1OCC 1722514996 IDOHVNVNZFSTOA-UHFFFAOYSA-N 430.556 4.526 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722546678 TWWGKXYTUVUUOR-AWEZNQCLSA-N 442.789 4.572 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722553845 CRRNQKSNHSHCJM-AEFFLSMTSA-N 438.016 4.503 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1722559933 MIMHGNQPFAECPI-NHCUHLMSSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CCC(C)C)CC2)CC1 1722577763 PTHCBGJPTPVVEK-QHCPKHFHSA-N 429.653 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCCC[C@H]2C1 1722590085 WLEWGYCEAGYQRN-QFIPXVFZSA-N 437.632 4.751 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(N2CCCCC2)nc1 1722643704 XZOPCOZQHBAWLZ-UHFFFAOYSA-N 446.599 4.530 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOC)CC1)C1CC1 1722645963 DVOSQNJNNHSQCC-UHFFFAOYSA-N 445.405 4.988 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@@H]2C)C1 1722710833 OTMUCGAAAKUTSV-XKGZKEIXSA-N 445.405 4.925 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1726661778 DGGNIDBBTIFXAB-QAPCUYQASA-N 435.494 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C)cc(OC)c1 1740540634 LFHZATMDCICNHK-AWEZNQCLSA-N 445.386 4.592 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCSC1 1740580259 SMDCUKBKHQKBHU-INIZCTEOSA-N 439.412 4.909 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1740595819 KUUSSUJBEZVRKK-RUZDIDTESA-N 438.641 4.901 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(C)coc1C 1740682002 ZSMSUOQXXXWZRA-UHFFFAOYSA-N 433.339 4.596 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC1CCC(F)(F)CC1 1740734659 MCCKACKSHGYZHK-HSZRJFAPSA-N 428.527 4.983 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1Cc1cc(C)on1 1740734786 DGOYDDLFRKJRGR-OAQYLSRUSA-N 427.961 4.561 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1740858191 LASIWAAJUVPBAA-UHFFFAOYSA-N 429.996 4.764 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740858597 VQYJDCCYKUYFSG-AABGKKOBSA-N 429.584 4.832 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC=C(C)C1 1740884155 RIIYTXTYOIUBMO-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nccn1C(F)F 1740892894 PNSSLSYUUJPUFB-UHFFFAOYSA-N 437.498 4.615 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1C 1740917180 JIXOTTPVGJLBBA-CYFREDJKSA-N 443.599 4.640 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(C)C)CC1 1740997389 RMRHSSBPOYUBSD-UHFFFAOYSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)S[C@@H](C)C1 1740997973 GHZAQZJGDOXUSI-GJZGRUSLSA-N 439.050 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1csc(CC)n1 1748650760 DJZJSOBCGKIKSO-HNNXBMFYSA-N 425.627 4.801 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(C2CC2)c1 1748775781 VUZPJBVHNIRMMO-UHFFFAOYSA-N 427.371 4.764 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCO[C@H]1CCCC[C@H]1C 1748867290 FEMNVDYIMNQIOI-NOZRDPDXSA-N 444.623 4.806 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C1CCCCC1)N(C)C 1748914430 DMBFGTFWEZCRIW-OAQYLSRUSA-N 445.558 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(CCOC)CC1 1749054700 XDWORJQDWFTASY-WZONZLPQSA-N 442.991 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)c1ccccn1 1749060080 IYDMUTZNYFDSJQ-RUZDIDTESA-N 449.986 4.972 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1749126607 FDCZIAYTCWAIPH-KWOQKUFVSA-N 438.616 4.850 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749234916 KXLRCHACOTYELK-SANMLTNESA-N 440.632 4.688 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](CC)c2ccccc2)CC1 1749347439 BHJAVBHLXYKQOV-HXUWFJFHSA-N 449.624 4.866 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749417764 OMKLWBGKXAGHNB-SFHVURJKSA-N 443.958 4.754 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCc1cccs1 1749532709 WSVSVMPYYDYFRM-JOCHJYFZSA-N 433.581 4.888 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCOC1 1749587153 JYBSMRBBNAGJHU-GOSISDBHSA-N 426.948 4.853 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCN(C(C)C)C2)C1 1749701599 XBKLSULKBHNGCW-UGKGYDQZSA-N 444.023 4.500 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](F)(C#N)C1 1750227994 DQHRQGRPCQDLNP-QHCPKHFHSA-N 445.608 4.738 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1760101501 QNRLGVUYPAXRMD-QRFRQXIXSA-N 445.405 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCc1cccc(C)n1 1760121251 ALNNNUYZMNOPKR-NRFANRHFSA-N 445.611 4.949 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CC(F)(F)F 1760132836 STHYDGGWVAHEHW-UHFFFAOYSA-N 432.446 4.919 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1760140252 HKLJBYWZBQLHRF-UHFFFAOYSA-N 435.616 4.632 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760141962 MWVFMENIAVEENV-HDICACEKSA-N 445.405 4.905 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142737 LZRYITTUFSIZOR-NJYVYQBISA-N 443.636 4.725 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccco1 1760311973 HFUSGZKACHCMDY-MRXNPFEDSA-N 447.308 4.839 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCC(F)F 1760324527 KYQXYUITAZVXRM-XMSQKQJNSA-N 434.531 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760338669 OIGZOOPBGGJYKW-URXFXBBRSA-N 445.007 4.653 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)[C@H](C)C1 1760360005 NOCSLRKRGZZXJC-NHCUHLMSSA-N 426.605 4.974 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(CC)CCOCC2)CC1 1760404593 HWTVXDXOTYYDSN-UHFFFAOYSA-N 438.616 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H](C)C(=O)NC 1760408654 DOKRNRYHYDWXOY-SJORKVTESA-N 443.661 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1760496474 WFQNZQDRJKROJG-DLBZAZTESA-N 435.597 4.745 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2cccs2)C1 1760549327 BNPXKFRJBBBBGK-FQEVSTJZSA-N 438.597 4.559 30 10 IJEE CC[C@H](Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@](F)(C#N)C1)OC 1762325669 DWTHMSMGUWJUID-RADWXHQJSA-N 449.958 4.555 30 10 IJEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCCCCC2)C1)OC 1765564339 GUWWCYDTQZCZFI-JOCHJYFZSA-N 437.588 4.561 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 1766886979 CAMYOSLUHHIWLG-WIOPSUGQSA-N 438.595 4.725 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCC1(F)F 1768637138 ACZZRWNJUFUFKJ-OAQYLSRUSA-N 436.510 4.597 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2ccco2)CCC1 1771416280 HRXHBKXPOPWMRR-KRWDZBQOSA-N 437.569 4.805 30 10 IJEE O=C(O)c1ccc(N=C2S[C@H](Cc3ccccc3F)C(=O)N2CCc2ccccc2)cc1 1772728163 QKTPFKHAAQUBHI-JOCHJYFZSA-N 448.519 4.941 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3cc4cc(C)ccc4o3)nc12 1859750262 SHWIOQCVWLSDQH-UHFFFAOYSA-N 437.459 4.916 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(-n3c(CC)nc4ccccc43)cc2)nc1C 1859757495 WDPUXHRCHFETON-UHFFFAOYSA-N 446.532 4.948 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(CC)cc1 1862431559 JWFUKADPMWQMCN-OAQYLSRUSA-N 427.928 4.907 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)c(OCC)c1 1862461753 MSEAOTIMJYPRMR-HXUWFJFHSA-N 449.425 4.587 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862475422 LBZHFKWQGPIGCP-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 1862538480 HVORZWPGBROMNC-HSZRJFAPSA-N 437.536 4.891 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccc(F)cc2)c1 1862556130 PNIWHZCHNHSEQN-HSZRJFAPSA-N 430.479 4.619 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862580007 XVLREAVQESBUMC-LJQANCHMSA-N 448.302 4.775 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1CCc1ccccc1 1862746846 KBXIVMXWFYPPHI-HSZRJFAPSA-N 442.471 4.724 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2ccc(C)c(Cl)c2)C1=O 1863056865 UVUOOKNPBKQHHC-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866772316 RHTDRQXKBGYWCB-ATIYNZHBSA-N 435.568 4.929 30 10 IJEE CCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCC(C)CC1 1870452012 AOKOINOYIWTOEE-UHFFFAOYSA-N 434.621 4.773 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCCCC1 1870695705 OYDBQPBXDRLUPX-UHFFFAOYSA-N 434.621 4.917 30 10 IJEE C=CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870814101 WCHIKPKPTNTRDG-UHFFFAOYSA-N 429.564 4.982 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871007238 RYZVWXSUXFTYQZ-UHFFFAOYSA-N 426.438 4.848 30 10 IJEE Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871395337 OBERVGTZYURPSI-WPYBYQTHSA-N 431.891 4.719 30 10 IJEE CCc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4ccccc4)CC3)C2=O)cc1 1871397243 UAMQNKNBARBWMM-ITYLOYPMSA-N 440.543 4.893 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(C)c2)C3=O)c1 1871441365 AVFNGSJHLQYFGI-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871802713 FODCBANDZMTUGX-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1 1871941331 XFPUVLQYBVTWJJ-LBPRGKRZSA-N 433.382 4.649 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872205344 SZAJXOHACFJYPS-HSZRJFAPSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1872282804 VAIBGUKRLSGDNC-HNAYVOBHSA-N 432.989 4.840 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CC 1872286516 SVZYPYQQVMPQPP-HSZRJFAPSA-N 449.661 4.504 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872475147 BVSUELNGAPFWSG-QFIPXVFZSA-N 432.561 4.762 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)cc1 1872570679 UGCOVICLYABSLQ-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)cc1OC 1872761935 ZORJEINZJFSLKH-MRXNPFEDSA-N 428.897 4.736 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2cccnc2)C1=O 1873268886 KHVSREXPZMJYSC-UHFFFAOYSA-N 436.512 4.851 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2cccnc2)C1=O 1873269165 NHGBDKSUXYNWJT-UHFFFAOYSA-N 436.512 4.851 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cccc(O)c1 1874213939 MPPPADBVCHJOTA-HZHRSRAPSA-N 428.945 4.809 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cc(C)ccc1O 1874235840 CGDRFAJFZRHSKN-ZMOGYAJESA-N 438.553 4.820 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cn(C)c2ccccc12 1874239181 UCXYAVPFJXDIJT-MFKUBSTISA-N 447.564 4.538 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)c1 1874260560 HAXRVMORVGOPAK-LGJNPRDNSA-N 437.475 4.705 30 10 IJEE CCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2ccc(Cl)cc2)c1 1874473731 UOASOPHABHNZCC-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cccc(F)c1 1874477727 JJGGIZPKAFQVJI-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1Cl 1874478759 PYQBBFXTAOGCIB-OEAKJJBVSA-N 434.009 4.697 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1Cl 1874504024 GOGJJAGGODOVKC-FSJBWODESA-N 431.924 4.636 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2COc2ccc(C)cc2C)ccc1OC(C)C 1874563041 GZFPHLJPNNKFAK-ZMOGYAJESA-N 440.569 4.831 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1874625236 SRTVZAZXNSNIAI-WUXMJOGZSA-N 434.423 4.956 30 10 IJEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1874633676 PLDIPJOAEHPPPN-AATRIKPKSA-N 439.291 4.767 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OCC(=O)N(CC)CC 1874636215 PLYLLLGNMPXHJP-DHZHZOJOSA-N 445.943 4.891 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)C(F)(F)F 1874697968 UAESSNGKTDLKNL-FNORWQNLSA-N 429.188 4.822 30 10 IJEE COc1ccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1 1875117387 CTDJCJDPMCTKTF-NTEUORMPSA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)c([N+](=O)[O-])c2)c(OC)c1 1875177092 ZOUMDSWRVXSEDY-WEVVVXLNSA-N 439.445 4.789 30 10 IJEE Cc1ccc(Oc2cccc(C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)c2)cc1 1891524047 UXNAPODTOBFBKR-UHFFFAOYSA-N 427.504 4.985 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 1891670608 GAXIGZNDIAHXHW-NRFANRHFSA-N 430.548 4.652 30 10 IJEE C#CCCN(C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C1CCCC1 1902353272 GYHXJMFSABSFIE-UHFFFAOYSA-N 442.559 4.852 30 10 IJEE N#Cc1ccc(Br)c([C@H](CCCC(=O)O)NC(=O)OCc2ccccc2)c1 1951859006 ZGIVENAHGZMYCP-SFHVURJKSA-N 431.286 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1(C)C 1964909136 GNRMCSJDYWBAJN-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE C#CC[C@H](CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CC1 1991313791 SVCQSAWXBRIVHE-IBVKSMDESA-N 444.575 4.715 30 10 IJEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1c([N+](=O)[O-])ccc(F)c1C#N 2006275089 SMLHTFFIOWEFGJ-UHFFFAOYSA-N 428.464 4.527 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC1CCC2(CC1)C[C@@H]2CNC(=O)OC(C)(C)C 2020317570 NJQUONJUWFQFEE-JNDNBTNTSA-N 437.625 4.521 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)c(C)c1 2079027096 NSYGWDQNNNZFQN-VMHWHBCQSA-N 435.309 4.789 30 10 IJEE N#Cc1cc(N)cnc1Nc1cc(Br)c(Br)c(Br)c1 2095445658 KKWRSIUWPXNNRR-UHFFFAOYSA-N 446.928 4.567 30 10 IJEE CN(CCCCCCNC(=O)OC(C)(C)C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2106599708 JGBBRPMCLVPOMY-UHFFFAOYSA-N 446.441 4.503 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3ccc(C#N)c(Br)c3F)CC[C@H]2C1 2162386128 YFFXFSKPTGKMHS-RRFJBIMHSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N(CCN=c1[nH]cc(Br)cc1C#N)C1CCCCCC1 2162420040 PPOPYXJLMFVTGK-UHFFFAOYSA-N 437.382 4.509 30 10 IJEE CC(C)(C)OC(=O)N1C2CCC1(CC(=O)Nc1ccc(Br)c(C#N)c1)CC2 2180895143 BPCXOTVSDFXQDY-UHFFFAOYSA-N 434.334 4.581 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 2180957272 LOMQQCILEFXAQW-LAUBAEHRSA-N 441.410 4.870 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3cccc(Cl)c3Br)c2)OC1(C)C 2199711716 RZGBKVAOBVABPL-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CN[C@@H](C#Cc1ccc(Cl)cc1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216913870 PDXBCECAJPKJAQ-GOTSBHOMSA-N 442.987 4.780 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC 2235750584 WXBLKQVLRQWAND-MISYRCLQSA-N 435.406 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2260842891 FCERTWRCJFJYFT-XQUALCHDSA-N 444.616 4.542 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cc(Br)cc(C(C)C)c1 2265951701 BHXMNOPMCJLGRV-UHFFFAOYSA-N 425.367 4.773 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2267497950 GNTFUQUNSGDUJW-UHFFFAOYSA-N 442.365 4.545 30 10 IJEE CC1(C)OB(c2cnc(Nc3cccc(Br)c3Cl)c(F)c2)OC1(C)C 2268999365 NWPKPSUDDFCRHU-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE Cc1cccc(C(=O)C#Cc2cccc(Br)c2)c1I 2278756731 PFWAOYZOTIIXSH-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@@H]21 2296217506 VHDHONWXYRQHBJ-ITBLURSFSA-N 434.374 4.635 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CN(CC1CCCC1)C(=O)OC(C)(C)C 2296297115 VTCLWVSTUHGETG-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2296300074 CNCHOTUMOQDXDM-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 2296303108 RHRJXGLQXPZOIR-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2OC)c1 2314430100 WHXCQOKFIVOGFP-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1cc(C=CC(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC 2314770294 LGNCTQDXLWEOFE-UHFFFAOYSA-N 447.354 4.930 30 10 IJEE CCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2321836261 RVMURPFRIROZHO-ZDUSSCGKSA-N 431.282 4.704 30 10 IJEE COc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCCN1CCCC1)C3 2322119026 DBBZJIWYPGHXFY-UHFFFAOYSA-N 448.563 4.648 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc4c(c3)OCO4)cc(C)c2C1=O 2322775453 ZWPMDUHXPHHAPF-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 2323358233 FCMTXFMHHXAVMS-UHFFFAOYSA-N 444.940 4.630 30 10 IJEE C[C@@H]1CN(Cc2c(O)ccc3c2OC(=Cc2c(Cl)cccc2Cl)C3=O)C[C@@H](C)O1 2324017450 RGHFHMRZYHURID-CHWSQXEVSA-N 434.319 4.924 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1cccc(OC)c1 2325513639 WHUILPRQSJCFQW-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3C2=O)c1 2325740358 MKCWFJXRAGCSLY-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC 2325750984 YIOSGYLFJVXOMD-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE COc1ccc(N2C[C@H](c3nnc(SC)n3N=Cc3ccc(C(C)C)cc3)CC2=O)cc1 2325874002 KZCBJSFRIAXGFA-LJQANCHMSA-N 449.580 4.535 30 10 IJEE CCOc1cc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)ccc1O 2326567556 XIPFEUFQBSIWRQ-UHFFFAOYSA-N 432.549 4.925 30 10 IJEE OCCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1Cl 2327687920 NFEQBWFTIIIYDN-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)C1CCCC1 2330624146 XWSUQXJZLLPETN-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1O 2330674810 MXBKFIYAVVYJTI-UHFFFAOYSA-N 434.496 4.973 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)NCCC)cc1 2330826001 WCFUYYNQGMSYCC-UHFFFAOYSA-N 445.633 4.546 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C(F)(F)F)cc1 2331116094 IUUVTFHXFSAVDL-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CCOc1ccc(C=C(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)c2ccccc2)cc1 2332149017 WSZGENKPQAJHNZ-UHFFFAOYSA-N 449.514 4.776 30 10 IJEE O=C(O)C(=CC(=O)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2336061855 IMROUXHMNIUBRI-UHFFFAOYSA-N 429.188 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339592637 SQJBRPLRFXVWJY-SWDTZWKESA-N 443.397 4.928 30 10 IJEE CC(C)N(CCCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2339597492 XYHXTCVFWSRRAG-BUHFOSPRSA-N 445.413 4.596 30 10 IJEE C[C@@H](CN(C(=O)OC(C)(C)C)C1CC1)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339600232 MMZMDLLACBQBRT-KRWDZBQOSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339601440 YNTVYSSABWKGIK-RTBURBONSA-N 444.381 4.798 30 10 IJEE Cc1c(Cl)cc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2342486634 XGUFRYKPFIEKOP-CYBMUJFWSA-N 428.563 4.719 30 10 IJEE Cc1cc(CN[C@H](CN(C)Cc2ccccc2)C(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343655946 JISJAKYBIPSYEL-RUZDIDTESA-N 436.449 4.540 30 10 IJEE COc1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4C)ccc3C2=O)cc(OC)c1OC 2105027 XQOZMCYVRLOQRI-SRZZPIQSSA-N 446.455 4.856 30 10 IJEE N#Cc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=N)cc1 2951187 RLKCSXKFITVMKH-UHFFFAOYSA-N 447.086 4.561 30 10 IJEE CCCCOc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC 8448530 MZKRQYYRZZYHHR-TWJOJJKGSA-N 441.531 4.864 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21 8959610 UEQKGFARUYAVTR-UHFFFAOYSA-N 449.334 4.949 30 10 IJEE C=C(C)COc1cccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)c1 9697441 MQPVLLPYCZPULE-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE CCCCOc1ccc(/C=C2\S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 16934374 PYTWQXQWUPNNQF-YKQZMZHDSA-N 440.521 4.806 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 34780755 DHKVEWXYAFOJNJ-XYSUMVETSA-N 440.455 4.773 30 10 IJEE COc1cc([C@@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1ccc(C)cc1 35531286 OYABYFKUCKZELG-APWZRJJASA-N 427.547 4.797 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 39839982 DNYOYUUSXGXNGG-GBXCKJPGSA-N 445.515 4.699 30 10 IJEE COc1ccc(Br)cc1/C=N/Nc1nnc(SCc2ccccc2C)[nH]1 59019013 GMARQWMIJAYSLZ-KEBDBYFISA-N 432.347 4.623 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)c1c(C)nn2c3ccccc3n(C)c12 96925874 LQOXCMKIBFWUKD-YPKPFQOOSA-N 427.483 4.972 30 10 IJEE C=CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 102589536 ZVARSPNDYNXPAK-FXBHHXAOSA-N 432.701 4.710 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(O)cc2)cc1C 169965309 OTPAZVLBTNTNHT-QFIPXVFZSA-N 439.471 4.668 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccc(C)c2)cc1 169968951 KGYSVISJLMDGRQ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1cccc(C)c1 169970356 NIDKMCAMYNOCLM-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)ccc1F 169983431 YHRPOEJVEBLFIP-HXUWFJFHSA-N 437.448 4.707 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1ccccn1 169996246 KEDUCVFALMFVCX-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)c1 170162725 OKXXYGWHLWOHSL-NRFANRHFSA-N 434.517 4.709 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1cccs1 170164576 DCZITPWMLQWUSJ-IBGZPJMESA-N 444.940 4.678 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccncc2)cc1 170201318 COVRKIPOVBSZOE-GYCJOSAFSA-N 440.499 4.750 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccccc3)ccc2O1 170223564 QENPAOTVAXMIDZ-IQMFZBJNSA-N 429.447 4.932 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)cc1C 170224697 XAMKKJBHUPVIAN-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1ccccc1 170227497 KWKGNICQKWAPPG-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 170231969 ZMXXHXRTWBBQKN-LJQANCHMSA-N 433.335 4.523 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)CCCO2 170234404 RCJRTUYTGLFJRI-DEOSSOPVSA-N 443.474 4.929 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 170240840 SQJPWYXOCQMPSG-JTHBVZDNSA-N 431.463 4.736 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccc(F)cc1 170243185 ORGAMDYSCRAGDT-HXUWFJFHSA-N 447.890 4.875 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170266391 ITBIRZSTRPZZHM-QHCPKHFHSA-N 431.488 4.938 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)[C@@H]2c2ccco2)c1 170278882 SCOGUFNNAFWNSU-NRFANRHFSA-N 445.427 4.826 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2c2ccccc2C)o1 170305517 CBFXTYDWRGFKBP-HSZRJFAPSA-N 444.487 4.508 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C)o2)cc1 170307338 GALKACIZKPNJKB-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)o2)cc1C 170307998 CEHMIXYFEMLPCU-HSZRJFAPSA-N 446.503 4.859 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 170361553 MGVFDDHGJLWIQI-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170362765 XVOYNNNOFQFYIK-HSZRJFAPSA-N 439.471 4.525 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cccc(OC(C)C)c2)c1 170432058 GMZCBWNRXATVGW-XMMPIXPASA-N 437.536 4.993 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(OC(C)C)c1 170475107 JKZCOXOJCBTSTN-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE COc1cc(C=Nc2ccc(N3CCOCC3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 254856560 ZNVDKRNWSWRCIT-UHFFFAOYSA-N 447.491 4.770 30 10 IJEE C=C([C@H](NCC)c1cc(Br)ccc1I)C(F)(F)F 385618168 PKYAQJVRCFQNRP-NSHDSACASA-N 434.037 4.823 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccccc1SCc1ccc(C#N)cc1 441478609 PCDIGHKKHMVDJF-UHFFFAOYSA-N 444.482 4.875 30 10 IJEE N#Cc1ccsc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 470593195 VNNHFIRDICARLC-AWEZNQCLSA-N 434.361 4.871 30 10 IJEE C=CCc1cc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1OC 474883988 ALRSWYYTIFNCRX-HXUWFJFHSA-N 435.442 4.665 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 508474939 WTOJPOFLFNOYDM-GOSISDBHSA-N 428.993 4.756 30 10 IJEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 509010688 HUWFYSVDHSNMCK-FQEVSTJZSA-N 439.441 4.599 30 10 IJEE COc1ccc(OC)c([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526523603 YSRGWOGOLXPLSX-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc1OC 526810868 QNCWZEAFRJKJDB-MXAYSNPKSA-N 440.569 4.875 30 10 IJEE Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)Cc4cccc(C#N)c4)cc3s2)s1 530673788 VXXQYNNYALVDFC-UHFFFAOYSA-N 432.530 4.971 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(-c2ccsc2)oc1C 531170420 FXQIKWRYOVCJCX-UHFFFAOYSA-N 429.615 4.810 30 10 IJEE C=C(C)Cn1c(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)nnc1C(C)(C)C 555263921 DUROJBAVGADQKJ-IBGZPJMESA-N 427.980 4.757 30 10 IJEE CSc1nc(O)c(C(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)cc1C#N 608915849 MVOBBKXJEUOOJB-UHFFFAOYSA-N 440.525 4.697 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@](C)(C#N)c1cc(Br)ccc1F 698436931 JIRTULTZGACMIM-KUHUBIRLSA-N 427.314 4.743 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)[C@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698907541 CWDGCGKBIKNJLH-MRXNPFEDSA-N 437.334 4.822 30 10 IJEE C[C@H](CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)NC(=O)OC(C)(C)C 742555500 BPNMYUIXTXXDAU-QGZVFWFLSA-N 425.504 4.529 30 10 IJEE COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2cccc(-c3ccc(C#N)s3)c2)c1 766107860 HMCSMQYYCKORFG-MRXNPFEDSA-N 435.549 4.811 30 10 IJEE C=C(C)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 777450253 MZJWYPZBUMCXMC-GOSISDBHSA-N 433.455 4.640 30 10 IJEE C=C(COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC 788813572 SMEDTPILNNHHHT-UHFFFAOYSA-N 439.251 4.652 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@H](C)c1cccc(Cl)c1 809895431 UVHVXWLOZDOOLK-QGZVFWFLSA-N 439.947 4.741 30 10 IJEE O=C(CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)NC[C@@H]1CCCO1 1084323000 ZUOYCBBMDUCWRN-KRWDZBQOSA-N 429.542 4.573 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(Br)nn1-c1ncccc1Cl 1124451443 BFNPWXBHIUNIDN-UHFFFAOYSA-N 448.704 4.640 30 10 IJEE CCSc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1126022753 IBHNIUAYVJEXGA-WMLDXEAASA-N 427.957 4.554 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c(OC)c1 1128384040 MFDPLSXYERONOD-JOCHJYFZSA-N 437.433 4.919 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)cc1 1136408422 NARALTZWJBSQCA-RBUKOAKNSA-N 437.506 4.539 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1136464865 YZWAEERRGDDNOE-UUOWRZLLSA-N 448.007 4.628 30 10 IJEE C=CC1(CC(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1137719083 SRSWQFSJBKSIQR-VXKWHMMOSA-N 442.600 4.695 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCCN2C2CCCCC2)s1 1155997446 BJLNXNBTVGEMEK-QGZVFWFLSA-N 428.067 4.752 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(CNc2ncccc2C#N)c1 1157542524 HSGVNOQXHYOOCE-UHFFFAOYSA-N 428.540 4.561 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(Br)c3cccnc23)CC1 1193322194 BDRHYWVPLXLCQD-OAQYLSRUSA-N 439.332 4.519 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](c3cc(F)c(F)c(F)c3)C2(C)C)cc1 1198692253 ZQNMXYZQOBBNIJ-QGZVFWFLSA-N 431.458 4.820 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)sc2ccc(C#N)cc12 1208043364 FQKKUNRCNWFREY-OAQYLSRUSA-N 442.562 4.528 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 1222054708 BWFQBDBASYZDTD-FQEVSTJZSA-N 429.996 4.874 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccc1C)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1227314393 DNKWCTRNHHEJDL-JOCHJYFZSA-N 427.589 4.736 30 10 IJEE C=CCC[C@H](NC(=O)NC1(CCOC)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1230625847 VDMOWEFNXDJAST-NRFANRHFSA-N 445.604 4.799 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCn2c(CCc3ccccc3)nnc2C1)c1ccccc1 1254753332 AGWAFYVJXOJKHR-HSZRJFAPSA-N 429.568 4.686 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)c1ccc(Cl)cc1F 1275497415 BTKNVNXDPWSVCI-QGZVFWFLSA-N 429.829 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(Cl)c1C 1286273531 IBLHXOAONKSWBL-LBPRGKRZSA-N 432.753 4.504 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCC(OC)CC1 1286361493 PQMGLCYMIWCYMR-JSOIOWGOSA-N 445.007 4.963 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@@H](SC)C1 1286500532 YHHYKBTUGIOTNT-LJQANCHMSA-N 437.638 4.582 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1ccccc1 1286599029 KJXFNPCEDFYADW-FQEVSTJZSA-N 425.577 4.953 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1286637494 GBYANQFIXKLTHY-CNNODRBYSA-N 428.552 4.775 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(OC)C2CC2)CC1 1286643557 NINYXZPOPIFEHX-OAQYLSRUSA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2sc(C)nc2C)CC1 1286647365 FNPORFOJZVSKEO-UHFFFAOYSA-N 429.540 4.620 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(C)C)C1)c1ccccc1 1286677962 NATZXRUKXFXIDU-PKTZIBPZSA-N 435.616 4.746 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@@H](C2CCC2)C1 1286685909 WUXISZXVOMSXHF-KRWDZBQOSA-N 448.409 4.645 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1286698467 ZEPRMFSRPQCTCJ-UHFFFAOYSA-N 447.583 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)C(=O)OC(C)(C)C 1286758835 WKPPXHHWPZMGQD-UHFFFAOYSA-N 445.995 4.568 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1286833992 WRHGRPCGVKZROE-INIZCTEOSA-N 441.551 4.585 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CCC2)CC1 1287628721 DSWDWGUDIYACMX-UHFFFAOYSA-N 434.632 4.811 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCCCC2)c1C 1289092395 GZZZUHAVBRTCED-SIKLNZKXSA-N 438.620 4.507 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3nn(-c4ccc(F)cc4)cc3Br)cc2n1 1289214933 DBIAVJCHCYKZBB-UHFFFAOYSA-N 440.276 4.562 30 10 IJEE CCC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)OC 1293950134 APKOAKGWIOAIHB-LAUBAEHRSA-N 429.540 4.502 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(OCC)cc2)CC1 1295175995 DEBYHFCSYOSYBR-HXUWFJFHSA-N 434.964 4.737 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl 1298613493 ZWDMGLGPSKCQNU-CTNGQTDRSA-N 432.992 4.960 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1ncc(C)s1 1300441781 ZRTHJCTZZSCMNU-CABCVRRESA-N 425.627 4.769 30 10 IJEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1300470882 WDRZPHUVFGWVIE-LPHOPBHVSA-N 429.490 4.788 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(C(C)(C)C)no1 1300557061 PFDQZOZYQRLPFP-JOCHJYFZSA-N 429.568 4.617 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C(C)C)cs1 1300603445 RMQHBEHPQRTUDU-UHFFFAOYSA-N 444.402 4.795 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@@H]1C 1301186423 YEMIYIASAUYDDI-OALUTQOASA-N 434.588 4.656 30 10 IJEE C=CCCCCn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@@]1(OCC)CCOC1 1301198879 SVMVFWWWKAVKKG-HSZRJFAPSA-N 430.980 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(F)(F)Br 1301278736 PMFZAASDYBXWJZ-NSHDSACASA-N 431.350 4.741 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@@H](C)C1)C1CC1 1301316922 PNRSGVMGLIJLET-IAGOWNOFSA-N 426.561 4.562 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)CN1CCCCC1 1301346923 LKZAKMLNGKFDRD-QFIPXVFZSA-N 430.600 4.655 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC1(F)F 1301360163 VZAWYMWXDWKFHO-INIZCTEOSA-N 430.528 4.815 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1CCc1nc(C(F)(F)F)cs1 1301376142 WZLWNKYTQRSAJF-UHFFFAOYSA-N 449.502 4.850 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 1301558541 WWGOETLUBOWOLR-DHIUTWEWSA-N 439.648 4.513 30 10 IJEE C[C@@]1(Cn2c(Cc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)CCCS1 1303990967 HYSRTJABSKWVJA-QFIPXVFZSA-N 430.021 4.938 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](C)c2nccs2)cc1 1304431428 GBSDIVNLONVLBX-IRXDYDNUSA-N 426.615 4.735 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC[C@@H]3C[C@H](C)O)c2C#N)C1 1307735690 HKUCIAOSHJQRJV-RCCFBDPRSA-N 431.646 4.725 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NCc2cc(Cl)ccc2OC[C@H]2CCCO2)n1 1308367053 BIXWQCUAMLBPPJ-QGZVFWFLSA-N 426.879 4.706 30 10 IJEE C#CCOc1ccccc1NC(=O)N1C[C@@H](CCNC(=O)OC(C)(C)C)c2ccccc21 1310573566 OKFBJTVTXKMZAK-GOSISDBHSA-N 435.524 4.749 30 10 IJEE N#C[C@H]1CN(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)CCN1Cc1ccccc1 1311632225 HFPFJONOLZHDNH-SVBPBHIXSA-N 438.575 4.780 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)sc2c1CC[C@H](C)C2 1347864644 BAZPQGZSJJRXHY-JTQLQIEISA-N 437.443 4.587 30 10 IJEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CCCC1 1348612553 RQBONJNYHAUHOM-ZVVDCOBXSA-N 430.614 4.865 30 10 IJEE C=CC[C@H](C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 1350234589 MWOXYYITVXYMLF-QHCPKHFHSA-N 439.508 4.916 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 1352430518 QYIMOHZKIZGIPA-SFHVURJKSA-N 448.906 4.509 30 10 IJEE C=CCN(C(=O)c1c(F)cc(C)cc1F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352962112 BARUXMZPSALBPC-UHFFFAOYSA-N 448.516 4.633 30 10 IJEE CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1=O 1353177239 HVXONKNLZLPXRR-LJQANCHMSA-N 441.487 4.741 30 10 IJEE C=CCCn1cc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)nn1 1353907889 MUWYVNICFIIKCL-UHFFFAOYSA-N 436.516 4.777 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)cc1 1356379719 ITYHLAMOBRLVKS-UHFFFAOYSA-N 443.931 4.784 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccc(F)c1 1358899733 TVILEILCVKVZFF-IOMROCGXSA-N 426.580 4.772 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCOC1 1359079239 CGQAEZKZNMZNET-CYBMUJFWSA-N 443.748 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(OC)CCC(C)CC1 1359115441 YXKWKFOUVOHRLT-UHFFFAOYSA-N 436.604 4.514 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC1(N(C)C)CCCCC1 1359262741 COEJKZAZJOYDKQ-UHFFFAOYSA-N 438.645 4.802 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccc(F)c1 1359929246 ASLUTYOQNLZALC-IBGZPJMESA-N 427.568 4.665 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 1435072861 CAUKVGBEURGFKJ-UHFFFAOYSA-N 435.527 4.931 30 10 IJEE C#CCN(C(=O)c1cc(Cl)cc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1435176984 ZYVPAZLHUYXURW-GOSISDBHSA-N 434.717 4.710 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 1436646198 ZJSAUSOJYUDUOC-RTWAWAEBSA-N 428.548 4.824 30 10 IJEE C#CCN(C(=O)c1ccc(OCCCC)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1455813423 QOGAGJHVFDXMNQ-UHFFFAOYSA-N 448.991 4.994 30 10 IJEE C[C@H](NC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1ccc(-c2cccc(C#N)c2)cc1 1458848329 GFZSUJLUKXKPGD-INIZCTEOSA-N 427.895 4.950 30 10 IJEE C=C[C@](C)(CC)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1463970704 MWODOGNDKOQREC-DQXUBXGMSA-N 427.353 4.748 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nnc(-c4ccccc4Cl)s3)n[nH]2)c1C 1464458648 DUZMLMRNPFBOGR-UHFFFAOYSA-N 439.932 4.500 30 10 IJEE N#Cc1cc(NC(=O)NCCc2csc(-c3ccccc3)n2)ccc1OC(F)(F)F 1466342771 BQGSHKKILKNCPN-UHFFFAOYSA-N 432.427 4.945 30 10 IJEE C#C[C@H](NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1468451387 QGCZNIZIXJBXIZ-SFHVURJKSA-N 443.341 4.829 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 1472524409 UAHKEEZSTIMTOT-UHFFFAOYSA-N 439.364 4.917 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1OC 1474090976 QOFFHWDDMJJARW-SFHVURJKSA-N 439.314 4.601 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C(=O)OCCC)cc2)c1 1474923050 IOMMAPOAGLOWBQ-UHFFFAOYSA-N 439.558 4.692 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1475489784 OBXREAZOFYPRJH-CZUORRHYSA-N 441.416 4.986 30 10 IJEE C=CCn1cc(CNC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)nn1 1476413176 KXYQRJXVAJYBAP-UHFFFAOYSA-N 440.916 4.841 30 10 IJEE CCCc1c(NC(=O)NCc2ccsc2Br)cnn1-c1cccc(C#N)c1 1476433240 FPSXFGFMIPZSLG-UHFFFAOYSA-N 444.358 4.842 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C)c1ccc(F)c(F)c1 1478472829 VIYZMXGHCUCNHP-PMACEKPBSA-N 432.421 4.683 30 10 IJEE C=C1CCC(CNC(=O)N2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)CC1 1479256012 FIAVGNLLONCIFV-XZOQPEGZSA-N 427.589 4.954 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)c1nc(C)cs1 1505227944 FGEXBQSGJZMPQI-RDJZCZTQSA-N 440.642 4.963 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccccc2F)C1 1507520495 OUFVVOFMFNMKGT-IIAWOOMASA-N 442.336 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCC[C@@H](C)C1 1507545972 HRGDCSZCCOGUDZ-FGZHOGPDSA-N 439.673 4.849 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1507557640 ROXRCLLOUUCXIR-FPOVZHCZSA-N 440.563 4.614 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccc(O)cc2)CC1 1507565292 AVAJZINCHOCSKU-UHFFFAOYSA-N 435.597 4.527 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507646206 RFENDYGSPNOMKW-OALUTQOASA-N 437.469 4.860 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCN(C)C1CCCCC1 1507770807 QHPHIHXPFCZUID-HHHXNRCGSA-N 433.644 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507796913 BXXHMMFHEYWOJG-NQIIRXRSSA-N 441.938 4.750 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(F)(F)F)CC1 1507857016 HJFWKMQMTDTSID-UHFFFAOYSA-N 438.679 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507914101 DYLYYHGBKNHYJY-IEBWSBKVSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1507914173 GGBYCGLCADDMST-UHFFFAOYSA-N 442.514 4.678 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1507925805 IZDFLXAOENJZFS-LSTHTHJFSA-N 430.980 4.825 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1507934664 FGSZWHNLJBESPZ-QHCPKHFHSA-N 438.616 4.758 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(CC(C)C)C1 1508004673 PBFPOSOVDVWAOR-XMMPIXPASA-N 444.627 4.901 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC1CCN(CCC)CC1 1508005598 YEBMPECPGXKRCL-DEOSSOPVSA-N 437.632 4.834 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)C(C)C 1513014902 DDOYSUGLPZIZKD-SFHVURJKSA-N 426.584 4.811 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)cc1OC 1518623471 OXRPZFFLKKEZHR-WYMLVPIESA-N 431.536 4.899 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 1519455226 GVZDAGLJKKAQQI-HXUWFJFHSA-N 439.434 4.741 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)c1 1520376912 BMTNUGYKZBMUOU-LJQANCHMSA-N 432.520 4.845 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC=CCC2)c1 1522466703 VCLIZNKZHXTLAC-IBGZPJMESA-N 430.957 4.560 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1528305846 WFWNXLCLBPWWSQ-GGAORHGYSA-N 440.584 4.731 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccc(SC)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1528507883 LIBZSIGYZCQZGO-HSZRJFAPSA-N 434.602 4.721 30 10 IJEE N#Cc1cccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1Br 1529123798 FVDKCSZSRONXET-UHFFFAOYSA-N 440.322 4.565 30 10 IJEE CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 1529774472 FORYBAXXKTXVRR-UHFFFAOYSA-N 445.441 4.922 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)CSCc3ccc(Cl)cc3Cl)CC2)c1 1530326169 CXPHGTKLVJSBKP-UHFFFAOYSA-N 448.419 4.879 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)cc21 1536841315 YWYKELGCUHDSOY-UHFFFAOYSA-N 426.398 4.964 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1538808391 CUPNEIWLPROTIN-KRWDZBQOSA-N 442.478 4.646 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2sccc2[C@H]1CC 1539104174 FVANOWZOBCCGIF-LJQANCHMSA-N 436.581 4.951 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1539288226 AOPVTHARLCVMAQ-MOPGFXCFSA-N 430.474 4.532 30 10 IJEE N#Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)ccc1Oc1ccccc1 1539409495 DCESGVBUTAQNPB-UHFFFAOYSA-N 426.398 4.693 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1539499315 IGDYOVABVOLBRG-CVEARBPZSA-N 433.419 4.699 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 1539503290 ARAPHJLASBHIQS-UHFFFAOYSA-N 429.442 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCCSc1nccs1 1539549285 ABTKCYFMOBKHDD-OAQYLSRUSA-N 427.574 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCSCC(F)(F)F 1539549554 KKTVFKNOKNJQIV-GOSISDBHSA-N 428.911 4.886 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1539846728 VJJHQJPBQVTDAQ-LVXARBLLSA-N 437.632 4.544 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1539953306 HBBVSZKWLXNLTK-UHFFFAOYSA-N 435.538 4.938 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](C)CN1CCCC1)C1CC1 1540102663 PDUVDQZVALZOID-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H]1CSCCS1 1540135959 DRNIDXMPPHUZRZ-AZUAARDMSA-N 448.633 4.700 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1540919793 WPFRRBWKVPCZEF-FQEVSTJZSA-N 439.654 4.622 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 1544843077 FSQODMFXCHPIHY-UHFFFAOYSA-N 444.484 4.958 30 10 IJEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCC(F)(F)C1 1545129106 FLVXUVURKJRXEK-FUHWJXTLSA-N 431.556 4.974 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccc(Cl)cc1F 1556560114 ZHORVOYTHNXSRA-MRXNPFEDSA-N 432.680 4.736 30 10 IJEE C#CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)[C@H]1CCCc2ccccc21 1558542366 UDHUBSXRRNEACN-CVDCTZTESA-N 447.579 4.953 30 10 IJEE C[C@@H]1CN(CCOc2ccc(CCNc3nc(C(F)(F)F)ccc3C#N)cc2)C[C@@H]1C 1559153533 ALESUSRPAQRDBF-CALCHBBNSA-N 432.490 4.593 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nnc1C1CC1 1559332779 RZUTVEDGABZHMX-KRWDZBQOSA-N 447.402 4.700 30 10 IJEE CC(C)(O)[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1562320074 BFRDFVHAQZNMJH-SFHVURJKSA-N 427.932 4.805 30 10 IJEE CC(C)[C@@H](NC(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 1563891727 HPQNZNGTXJFHAW-OAQYLSRUSA-N 430.474 4.806 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)C1CCOCC1 1564206793 NLTYKASXDPSNIP-VXKWHMMOSA-N 430.520 4.504 30 10 IJEE C=CC(C)(C)CNC(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1564769559 SNPCBRWSSOCKQG-UHFFFAOYSA-N 443.588 4.573 30 10 IJEE C=C(CNC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1)c1ccccc1 1564881763 BOMZSOVWDHKAAT-UHFFFAOYSA-N 449.595 4.968 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 1583700460 NOKYJAOPKBWODZ-RBZQAINGSA-N 431.605 4.662 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)C1 1583960726 IZBUPPVLVJWSDW-OAHLLOKOSA-N 436.936 4.708 30 10 IJEE C#C[C@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1 1584707627 BILYYOAHQHXAGH-QHCPKHFHSA-N 433.349 4.946 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2Cc3ccc(C)c(Br)c3C2)cc1OC 1586948229 UXWNEEPMZULBOC-JXMROGBWSA-N 428.326 4.887 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 1587234863 YKEZCUYQOHOEJD-KKLQWCBXSA-N 426.582 4.591 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H]2c2ncc(-c3cccc(OC)c3)[nH]2)c(OC)c1 1587503090 SYXUQQSAEYBHJR-QFIPXVFZSA-N 447.535 4.565 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1nc(C)c(C)s1 1587561106 BCRDJCDAUNXDGV-GDBMZVCRSA-N 444.004 4.845 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]2CCC[C@@H]21 1587711968 JOFROXTXDCVKOB-AEFFLSMTSA-N 430.394 4.619 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1588298104 TXTIGXDPFKGKHJ-XXBNENTESA-N 449.624 4.558 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCCC 1589496301 XNZVFOHDYIYHDN-QAPCUYQASA-N 436.398 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1589636756 FUYMTNHVROQFEZ-XMMPIXPASA-N 448.615 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(SC)CCOCC1 1589637081 TUXACUXTDHDFNC-UHFFFAOYSA-N 439.629 4.751 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3cccc(Br)c3Cl)CC2)OC1(C)C 1593778603 NKUSZDSUCWBNFJ-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1594014184 POOMDTCTLTWPME-HKBOAZHASA-N 440.588 4.788 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1594248228 ZEVGKHNGNNVDHY-UHFFFAOYSA-N 445.633 4.636 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1594511570 RNERQSZEPJZMHJ-FCHUYYIVSA-N 438.616 4.537 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN1C1CC1 1595261571 RTUFHJNSHBDLSP-NRFANRHFSA-N 425.621 4.712 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCCN(C)C2CCCCC2)C1 1595706109 HGOSPMYKUSXCJH-NRFANRHFSA-N 441.595 4.520 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 1611936445 BHOIQOXZHHEQAQ-OAHLLOKOSA-N 437.906 4.937 30 10 IJEE CCN1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1615814642 DOFMWARRVNXLRT-FDDCHVKYSA-N 426.996 4.603 30 10 IJEE C=CC[C@]1(C(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)CCCN1C(=O)OC(C)(C)C 1617684883 IAVWOUJYVFPJTB-YADARESESA-N 430.593 4.816 30 10 IJEE C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(N2CCCC2=O)c1 1622983417 FTKHCQXPUCEQQS-KRWDZBQOSA-N 441.491 4.755 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1Cc1ccccc1Br 1623171496 AYVGFFSTOVELAW-KRWDZBQOSA-N 431.305 4.839 30 10 IJEE C=C(CC(C)C)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)OC(C)(C)C 1631717480 SQMYEVKAXYZXEB-GOSISDBHSA-N 430.545 4.784 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CCCC1 1632475046 GZUGFRLDDBVXPJ-OAQYLSRUSA-N 448.535 4.646 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1632662246 GQJRISNPYPYSGL-KRWDZBQOSA-N 443.935 4.585 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCSC[C@H]1c1ccccc1OC 1637501172 JGTOVKZWEKLJKN-PMACEKPBSA-N 448.629 4.951 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 1639668597 DNOITLMATRZJKK-CQSZACIVSA-N 427.353 4.879 30 10 IJEE CCc1ccccc1O[C@@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccccc1 1642903141 BHLBUDMYHVAXBM-AREMUKBSSA-N 443.522 4.729 30 10 IJEE C=CCn1c(SCCOC2CCOCC2)nc2sc(-c3ccccc3)cc2c1=O 1643604253 AEXFZWCXOQJKEF-UHFFFAOYSA-N 428.579 4.599 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1645347516 OJMYTIAUAMFXRF-JOCHJYFZSA-N 440.584 4.588 30 10 IJEE C=C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 1645463451 KFIGYPCYJZQEIQ-QGZVFWFLSA-N 438.593 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOC(F)(F)F 1649538160 ANFXMAFPRMTOAC-CQSZACIVSA-N 449.502 4.761 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OCC)C(C)(C)C)nnc1-c1ccc(Br)cc1 1652472570 WSDDGGPVMXEOOZ-HNNXBMFYSA-N 438.391 4.964 30 10 IJEE CC[C@H](C)[C@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C(=O)OC(C)(C)C 1653895442 AHKDNAWQHJNPRW-UUOWRZLLSA-N 438.568 4.992 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1657580292 VGSLLAMGARHZRM-TZIWHRDSSA-N 441.413 4.851 30 10 IJEE C/C(=C\c1ccccc1OC(F)F)CNc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1658569780 JSBGDUMXEOMUED-BTIWZZRDSA-N 449.523 4.616 30 10 IJEE C#CCC[C@H](O)CNCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 1663180798 HXEHXSSCKWSJSR-HNNXBMFYSA-N 426.713 4.898 30 10 IJEE C[C@H]1C[C@H](c2ccccc2)C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1663837352 FNPBYBIIZHDKHV-UCLAIMLFSA-N 433.371 4.571 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1cccc(F)c1Br 1666025742 WRMPHULGMARGGJ-UHFFFAOYSA-N 438.771 4.821 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(=O)OC)cc34)CC2)c1 1667740530 HAMOCRPVJCSCDN-UHFFFAOYSA-N 433.508 4.931 30 10 IJEE CCOC(=O)[C@](C)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1 1668491718 FDEILYNGFJZKOR-AREMUKBSSA-N 443.503 4.993 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 1669044461 JKOGGCLPDBLWNP-AWEZNQCLSA-N 425.382 4.582 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccc(F)cc2OC2CCCC2)CC1 1669310944 BQPQNFBBFOKOTC-UHFFFAOYSA-N 438.503 4.925 30 10 IJEE COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1671437786 DKEUPAYDANTWIN-FQEVSTJZSA-N 449.454 4.669 30 10 IJEE CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1672201575 BZCFOMZUPISCID-SFTDATJTSA-N 445.677 4.718 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1676479804 FOWPVIRSZIWPCQ-XMMPIXPASA-N 430.504 4.821 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCSc3ccc(Br)cc32)CC1 1678373933 HTBDHZUVZKEUCW-GOSISDBHSA-N 438.435 4.716 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 1683424593 GFKQAYNFPQTDLB-QFIPXVFZSA-N 441.934 4.819 30 10 IJEE CN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 1686929056 BMFPHSFKPIDPAA-FTJBHMTQSA-N 430.596 4.890 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](COC)C1 1689901662 NVRDFIQWVNUBHS-OAQYLSRUSA-N 438.616 4.821 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccncc1Cl 1689949015 NOLMNIXXNVASFO-UHFFFAOYSA-N 430.943 4.519 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(CC)CCC 1690003552 QIQDVZSBHWZARD-UHFFFAOYSA-N 440.016 4.618 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCCC[C@H](SC)C1 1690181217 QKZOHLMJLMMGJG-NRFANRHFSA-N 428.671 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1OC 1690196777 XPFHONSCUKUTDV-SFGWALBWSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1690221134 MCICDHQPODZWJR-UHFFFAOYSA-N 444.160 4.762 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)C[C@H](C)C1 1690233468 HRBMPYFZYFQTHP-HOTGVXAUSA-N 433.394 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC)C1 1690238269 HFNDBOZCJIIDIM-TYPHKJRUSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C)=C(Br)C1 1690241116 OPUPUIXDDOJLDZ-QFBILLFUSA-N 447.377 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1oc(CC)nc1C 1690256080 CCHWKTKINKDENN-QGZVFWFLSA-N 427.524 4.867 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CC[S@](=O)C(C)(C)C)CC1 1690402922 VJVLQROKHCNXBT-PMERELPUSA-N 426.586 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1nccs1 1690428595 VRQGAJHUALJESC-UHFFFAOYSA-N 433.585 4.826 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)C[C@@H]1CCCO1 1690476801 PBUOIVDPLKGKPD-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCC[C@@H](O)C1 1690519713 UYIFFCZNAJVWBC-VQIMIIECSA-N 426.561 4.986 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCN1CCCC 1690524079 ZMLFJHYLRMZRGI-OAQYLSRUSA-N 434.588 4.877 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCO[C@@H]1CCCC[C@@H]1C)C1CC1 1690547048 SNFOZVNSOIYBJN-HTAPYJJXSA-N 430.543 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCSC(F)(F)F 1690586781 ULWQTMVRVREUSI-UHFFFAOYSA-N 434.491 4.767 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](CCC)C1 1690632622 GLYBJMDKOSLUFH-CQSZACIVSA-N 425.758 4.552 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)cc1 1690679088 KIWIGBDEVUVPPP-VWLOTQADSA-N 435.572 4.528 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](COCC)C1 1690683477 LVLMBEFQNNNHSR-HXUWFJFHSA-N 426.605 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)N(C)C 1705484951 ZTFZZVXGXZVDOT-HRAATJIYSA-N 431.987 4.706 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1nc2c(s1)C[C@H](C)CC2 1705487090 RTNHCYIRYUZLLY-HUUCEWRRSA-N 425.989 4.686 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 1705540343 VVIYHONEVVYXTQ-DHIUTWEWSA-N 436.600 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCN(CC)CC 1705678022 LNMCJZROQJTIMB-XMMPIXPASA-N 425.646 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(Cc1cccc(F)c1)C(C)C 1705704620 XIFBYEOAYOBONO-OFNKIYASSA-N 437.563 4.819 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1705739316 BUMBTTVYFXVBHE-NQIIRXRSSA-N 430.980 4.872 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1705754062 PKKMAZQQYFZBRF-LJQANCHMSA-N 441.963 4.649 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705808149 BRFASYQKNUDIRD-UHFFFAOYSA-N 431.625 4.672 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705812889 OSABIQUOAGYQDG-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H](OC)C(C)(C)C 1705862197 BFAPDOBFVKSXSB-OAQYLSRUSA-N 425.552 4.676 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(C)(F)F)c1 1705875292 NSNMBUKKSJCTGL-UHFFFAOYSA-N 429.540 4.972 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cccs1 1705878077 SUAHUCLNOLDCKV-VWLOTQADSA-N 445.592 4.544 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1705893262 YYFZEXPBZFTAQA-UHFFFAOYSA-N 425.646 4.767 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1705921213 NXCMHSUJYQTQJH-RXVVDRJESA-N 446.542 4.951 30 10 IJEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)CC1 1708112844 GXZRRVDOLYMDTE-UHFFFAOYSA-N 432.475 4.577 30 10 IJEE CCOc1ccc(CCn2c(-c3ccc(C)o3)nnc2N2CCC(C#N)CC2)cc1OCC 1710524252 DFVLOGZXESXRKX-UHFFFAOYSA-N 449.555 4.627 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1722325939 CSFKXYOLQHDIAL-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C#CCSCCn1c(-c2cccn2C)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1722454696 HCMUAFSPPBMYQU-UHFFFAOYSA-N 445.592 4.758 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCCCC1 1722493294 XTPLWGKZZCOXHL-DXIQSLLYSA-N 428.552 4.919 30 10 IJEE C=C(C)COCCn1c(N(C)Cc2ccc(F)c(C(F)(F)F)c2)nnc1C(C)(C)C 1722536873 RNODCUCJAZBNIE-UHFFFAOYSA-N 428.474 4.963 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1722569562 FIWJBXKENVHMBZ-FPOVZHCZSA-N 428.552 4.748 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2cnn(CC(C)C)c2C)CC1 1722584360 ZADVNIKAQBPMBU-UHFFFAOYSA-N 432.616 4.789 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCSC1 1722598284 CCNOYGRITLWGNR-RXVVDRJESA-N 428.602 4.726 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722605720 PUVCWBJGAWVFAO-DEOSSOPVSA-N 436.648 4.569 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722634428 OIXOJMDKWKIHIK-LJQANCHMSA-N 439.604 4.531 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1)C(C)C 1722663284 UJDMGQGYABRQPW-URXFXBBRSA-N 447.631 4.545 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)C1CCCCC1 1722669268 CKXFYBUTVZNJKB-UHFFFAOYSA-N 427.980 4.568 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1Cl 1722676800 LKUQWSJGEVHRKV-HXUWFJFHSA-N 440.975 4.896 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(Cc1ccnn1C)C1CC1 1740569346 CGKCENSJGMIUNB-UHFFFAOYSA-N 443.382 4.958 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740576674 CTEFEVLBJCAQTG-CTNGQTDRSA-N 443.636 4.554 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1740584451 LLODQQUAZNBGLN-NRFANRHFSA-N 434.975 4.512 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1cccc(C)c1 1740603654 ZLTDLJRFAZGPTM-OAHLLOKOSA-N 429.387 4.951 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740688457 QIYNVUGDIGKWGV-GBESFXJTSA-N 445.032 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCS[C@H](C)[C@@H]1C 1740762797 GORAIRHPZNVXRP-IKJKNFHUSA-N 440.657 4.765 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCN1CCOCC1 1740845572 UKQPETWQSQIUSS-UHFFFAOYSA-N 439.648 4.613 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1740894616 AUNYBXYJVYMXIH-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(F)c1 1740924987 ICLACIXCOVCDAE-UHFFFAOYSA-N 430.325 4.596 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC2CCOCC2)C1 1740976327 VPWOEJODORXGSG-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CC(OC(C)(C)C)C1 1741136009 HLMGUQAZSPUWAB-NMBAIYOOSA-N 445.652 4.776 30 10 IJEE Cc1cccc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CC(C)(C)C(C)C)n1 1742335124 GGAQUDMNQWABME-HSZRJFAPSA-N 444.583 4.780 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1748707651 ITXQHEDZMWAQRP-NRFANRHFSA-N 439.922 4.514 30 10 IJEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC=C)Cc1cccs1 1748709952 BUBRUZSZJLYXEJ-UHFFFAOYSA-N 444.564 4.652 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H](C)c1nccs1 1748945305 QBCHRDWWWSYPQM-KRWDZBQOSA-N 425.577 4.906 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)C(C)C 1749055012 CWBMIYPCIPGDFC-SXOMAYOGSA-N 445.611 4.752 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nccs1 1749121541 NJCSXZRFIKYKFE-APWZRJJASA-N 429.977 4.673 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CCCCC1 1749135122 CRDYYUMXJHDRSF-HYBUGGRVSA-N 442.579 4.994 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1749195295 IXGPRWPUJVNJFV-YWZLYKJASA-N 430.524 4.751 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1749343393 IGAZCUKZUJMKQM-RUZDIDTESA-N 444.627 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)C[C@H]1CCCO1 1749355122 AKEYFZXPJKPXEX-HXUWFJFHSA-N 434.588 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(NC(=O)c3ccc(C)s3)CC2)nnc1C(C)(C)C 1749376688 BOIZZRWCUUCWGU-UHFFFAOYSA-N 443.661 4.947 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CSCCS1 1749384192 UQGWEYKAOLLMNN-FQEVSTJZSA-N 427.643 4.848 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749400758 MGQNVMDWDIRUNM-XLNZFTOWSA-N 445.007 4.651 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC[C@H]1C 1749464793 DYPFNRMDIBEYPI-QYZOEREBSA-N 432.996 4.983 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 1760138121 RJJHNIBYJWYURY-NRFANRHFSA-N 441.620 4.743 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)Cc1cccs1 1760223965 SDIZLPAGIUFYHV-FQEVSTJZSA-N 446.620 4.877 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(C)CCCS1 1760292359 ZVBXBUKWDMCWMI-DNQXCXABSA-N 440.613 4.630 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)N2CCOCC2)CC1 1760384718 FIUSGIVQIUHRGC-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1760387172 IZBKHVBYFGWOAK-GOTSBHOMSA-N 440.588 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1760408306 IMXWCWQBMVILQG-LJQANCHMSA-N 429.996 4.849 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC=CO1 1760418994 DNLLHNAFIZIBSL-GOSISDBHSA-N 448.409 4.921 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC(=O)NC(C)(C)C 1760432270 JRXJURRGSKGLCD-UHFFFAOYSA-N 448.615 4.670 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760441974 BAOFLRYAZNQZQV-MRXNPFEDSA-N 449.393 4.590 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1760567646 IOJLBVMQZGQXOE-JOCHJYFZSA-N 426.630 4.898 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC2CCCC2)n1Cc1ccc2c(c1)OCCO2 1761077710 GRRWWLLAHCIDKS-UHFFFAOYSA-N 437.588 4.596 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)noc1C 1766026710 FRPDRMPYVNNVCH-UHFFFAOYSA-N 446.580 4.991 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1C 1770548033 CJHNHNXYLCLAMX-CMKODMSKSA-N 427.618 4.743 30 10 IJEE COc1ccccc1/C=C1/SC(=NN=Cc2ccc(F)cc2)N(Cc2ccco2)C1=O 1772758002 NRUHGZAGUKUFTK-PFZYSIKNSA-N 435.480 4.934 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C2=CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1860684086 JDLBJEKWTQHIHD-UHFFFAOYSA-N 438.483 4.716 30 10 IJEE CCN(CC)CCOC(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 1860722962 WJWAXRIVQPOHMN-CXUHLZMHSA-N 436.552 4.530 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2F)c1 1860731258 HOVLCCSLGOIEGT-CSKARUKUSA-N 448.288 4.766 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861198750 VDHRCUCRDBHJAJ-VWNXMTODSA-N 445.623 4.505 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862495504 OHFYSYUGAMHXIG-OAQYLSRUSA-N 438.480 4.542 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(O)c2)cc1 1862507505 MVUOBPUADLSKBP-XMMPIXPASA-N 445.490 4.969 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538386 MAUQAJZVRGGOID-FQEVSTJZSA-N 447.362 4.696 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C)cc1 1862580824 SOHTZNCVGCHXNH-IBGZPJMESA-N 434.319 4.917 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(F)cc1F 1862660051 FQCKSAHIIXWEKN-OAQYLSRUSA-N 429.463 4.703 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 1862714953 IJBCWJYQMYCPCO-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(O)c1 1862722094 NIUJZKUHEDQGLL-XMMPIXPASA-N 443.499 4.674 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862976171 ZYZUAFBEBGZKMQ-UHFFFAOYSA-N 448.482 4.615 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862976581 AJRCLZJORGHVIP-UHFFFAOYSA-N 448.482 4.615 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1863144952 YWHJUCYQAGRDJW-UHFFFAOYSA-N 425.463 4.522 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccc(Br)cc2)C1=O 1863197495 PBQVIHQHWRNVRG-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3cccs3)C2=O)cc1C 1863260428 PBTOOFSYJWDFFH-UHFFFAOYSA-N 427.529 4.671 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(Cl)cc2)C1=O 1863535598 LWVARNHHQCTNRA-UHFFFAOYSA-N 442.991 4.657 30 10 IJEE C=CCN1C(=O)c2cccc(OC(=O)CCCOc3ccc(Cl)cc3Cl)c2C1=O 1865794753 XZSLHGLHCLNCFQ-UHFFFAOYSA-N 434.275 4.540 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccc(C#N)cc1 1866653459 XLUBTPMBCAMKKE-QFIPXVFZSA-N 444.535 4.686 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2cc3ccccc3n2C)cc1 1870160834 NCOOWLYYPCVQSS-UHFFFAOYSA-N 442.523 4.842 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)C1 1871354828 COAFJWOBBWDJFT-UCQKPKSFSA-N 436.552 4.504 30 10 IJEE Cc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)ccc1[N+](=O)[O-] 1871373522 KXINEPVRXLVQIG-QRVIBDJDSA-N 444.443 4.805 30 10 IJEE COc1ccccc1-c1coc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2c1=O 1871436035 KQAWQGIQHDOZHG-INIZCTEOSA-N 440.455 4.746 30 10 IJEE Cc1sc(C2=C(N)N(CCc3ccc(Cl)cc3)CC2=O)nc1-c1ccc(F)cc1 1872724857 VSKQWJCXTJERRC-UHFFFAOYSA-N 427.932 4.666 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2C)cc2c(N3CCCC3)ncnc21 1873650088 ASZJFMZEFLROLP-UHFFFAOYSA-N 432.572 4.624 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)cnn2-c2cc(F)cc(F)c2)cc1OCC 1873684455 DXUBJCRLXHTAOJ-UHFFFAOYSA-N 440.450 4.852 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccccn2)cc1 1874293108 NRHPWSAUQFZNMZ-CVKSISIWSA-N 445.548 4.744 30 10 IJEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874304317 SECPXMYBTJVRCC-LFVJCYFKSA-N 438.553 4.532 30 10 IJEE OCCCSc1nnc(CCc2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874404368 UOOWSLZQACYWTD-OEAKJJBVSA-N 435.380 4.727 30 10 IJEE Oc1ccc(Br)cc1/C=N/n1c(SCc2cccc(F)c2)nnc1C1CC1 1874518093 AUWOUYPFQYJNRD-LSHDLFTRSA-N 447.333 4.937 30 10 IJEE C[C@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874561553 XCAPNBWRYVBFAK-GZPJKGAFSA-N 428.517 4.820 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCC(N)=O)cc1 1874574017 QLPZDKRISZNWKH-ZHACJKMWSA-N 446.341 4.561 30 10 IJEE COc1cc(C(=O)/C=C/c2ccccc2OCC(=O)OCC(C)C)c(OC)cc1Cl 1874587489 PEAUTRBYJMAZRS-MDZDMXLPSA-N 432.900 4.831 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OCC 1874617049 HRNUXMCEGZGSEM-NTUHNPAUSA-N 425.525 4.675 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccccc1F 1874693270 WTUIWAGZKPVQJM-PKNBQFBNSA-N 435.407 4.787 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707676 QNPZBVBYXLHHSS-XBXARRHUSA-N 438.382 4.574 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2OC)cc1 1875104142 INQGYGWJXNDZSE-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(N4CCCCCC4)ccn3)ccc21 1890481649 RUOUEBVZICDYLK-UHFFFAOYSA-N 448.567 4.652 30 10 IJEE N#Cc1ccc(NCCCCCNC(=O)OCc2ccccc2)c(F)c1Br 1999010605 JZUXYNVJVKAURN-UHFFFAOYSA-N 434.309 4.968 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1C#N 2010542410 DLXSJDSHOAJKJM-FOIQADDNSA-N 443.931 4.649 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNc2ccc(Cl)cc2C#N)C1 2025250712 VZTYWTWHPXZWRE-OAQYLSRUSA-N 440.975 4.745 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1c1c(C2CCCCC2)nn2c(O)c(C#N)cnc12 2081456480 FBGSJKJPJATNLO-QGZVFWFLSA-N 425.533 4.816 30 10 IJEE CC1(C)CN(C(=O)OC(C)(C)C)CCN(c2cc(Br)cc(F)c2C#N)C1 2118198567 IHBAPEPWMABMRC-UHFFFAOYSA-N 426.330 4.543 30 10 IJEE N#Cc1cc(N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)ccc1C(F)(F)F 2162315502 WFUQJIJWVJCHEM-INIZCTEOSA-N 431.336 4.846 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CC(=O)Nc1cc(Br)ccc1C#N 2181138900 HCMKDOGHIVIJLJ-BBRMVZONSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Oc1cc(Br)cnc1C#N 2198818924 BGGZSGDIULYCJS-GUYCJALGSA-N 436.350 4.568 30 10 IJEE C=CCC[C@](C)(O)[C@@H](N)c1sc(Br)c(Br)c1Br 2216401030 KFTMRCSAXSUDSA-ONGXEEELSA-N 448.018 4.753 30 10 IJEE CCN[C@H](C#CC(C)(C)C)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2233750904 JRDYRCASXJDLDN-RTBURBONSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@@H](N)C#Cc3ccccc3Br)cc2C1 2235750648 XKKTXSLYRQFIAT-KRWDZBQOSA-N 447.398 4.855 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237416644 AQFOQEQESUQOEV-UXHICEINSA-N 435.406 4.667 30 10 IJEE CCN[C@@H](CC#CC1CC1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428597 PFTOVOCXXLQCCL-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](COc2cc(Br)cnc2C#N)C[C@@H]2CCCC[C@@H]21 2240663846 YQWIOTCARLWTAP-QRTARXTBSA-N 436.350 4.663 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(C)(C)C 2247919314 QGUPRMFSKOVWSG-INIZCTEOSA-N 428.407 4.519 30 10 IJEE C=CCOc1ccccc1C=C1SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 2295956359 OPRJNWIOCIHWAF-UHFFFAOYSA-N 439.968 4.697 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCN1C(=O)OC(C)(C)C 2296271169 CTEQXGPZCJTXRR-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296279580 QLJOOHHZYGCDOA-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE COC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)Nc1ccc(C)c(C)c1 2297650004 GVEKAPZRNDJEJD-FXAWDEMLSA-N 431.458 4.531 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2305319347 LZLABCNUOPFEDV-DNRQZRRGSA-N 428.573 4.555 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CO2 2322226453 PPJCQFNODKHSSA-AALNIOGOSA-N 449.572 4.908 30 10 IJEE O=C(COc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1F)Nc1nccs1 2322502006 PHXDLFLZABDYIV-UHFFFAOYSA-N 434.851 4.988 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC(=O)NC1CCCCC1 2323230529 HLCLIOJAPZTZSQ-UHFFFAOYSA-N 429.463 4.697 30 10 IJEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1OC(=Cc1ccco1)C2=O 2323933795 BUCKJCXWJVSJSE-UHFFFAOYSA-N 432.428 4.985 30 10 IJEE C(=Nn1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)c1cccnc1 2328746528 JJMZQFLTUNOZEY-UHFFFAOYSA-N 443.576 4.902 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1 2331193310 XTPROLSYJVFJRJ-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)c1 2331386834 SEBAVJUUKARCKN-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccco1 2331445828 QCXPLQFEGOGCKL-UHFFFAOYSA-N 432.428 4.861 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)c1cnccn1 2331563400 OPDCLTWYKVGZIJ-UHFFFAOYSA-N 444.821 4.922 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 2331571308 PKSFYFLUAZVRJI-UHFFFAOYSA-N 438.382 4.817 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cc(C)ccc1O 2331674856 MOTSJUDELLHXGQ-UHFFFAOYSA-N 437.569 4.591 30 10 IJEE C[C@@H]1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339581225 ISCPPBUBYRMSBD-OAQYLSRUSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCN[C@@H]1C(F)(F)F 2370237475 MCDSHZSXDUGLJT-WMLDXEAASA-N 448.283 4.767 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cccs2)C3=O)cc(OC)c1OC 2429685 PKMDXAYAQJDAEM-LDADJPATSA-N 438.457 4.609 30 10 IJEE NC(=O)Cn1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c2ccccc21 20508832 GKRYDDVKKYVKLO-YWIDBZNQSA-N 444.560 4.673 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c1 33407332 KIXBNURMVBOJMB-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 34954453 VRTQUYFUYKXBTO-MDWZMJQESA-N 433.416 4.727 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c1 34955426 IVXCIAOWZXLCIU-GXDHUFHOSA-N 448.471 4.836 30 10 IJEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)c(OC)c1 41587163 DOYFPTGPQHHQIP-YVNNLAQVSA-N 433.460 4.574 30 10 IJEE CC/N=C1/S/C(=C\c2cc(OCC)c(O)c(Cl)c2Br)C(=O)N1CC 101640502 NCXDPZQEQOSEOE-SZXXTAFNSA-N 433.755 4.519 30 10 IJEE COc1cc(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)ccc1OCc1ccc(C)cc1 169896804 UNWXMBBJEMJUFL-YUMHPJSZSA-N 440.503 4.779 30 10 IJEE COc1ccc(-c2csc(N/N=C\c3ccc(OC)c(O)c3Br)n2)cc1 169942117 PPVMVJGMHWJQHN-UKWGHVSLSA-N 434.315 4.741 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1)c1ccc2c(c1)CCO2 170044154 QZLSFJFNGCZXHX-NRFANRHFSA-N 439.895 4.501 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C)o2)c1 170102478 XJYRUHOIHVTUFO-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 170123479 XCFZZYYBSYCNIB-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccccn2)c1 170144183 SIYSRASIPGDTLQ-XMMPIXPASA-N 442.515 4.956 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)c1 170175095 GXIPIDOGWSBVOF-QFIPXVFZSA-N 426.428 4.625 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1c1cccnc1 170195800 XCLJUSMITWXGNK-SFHVURJKSA-N 441.281 4.579 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)ccc1Cl 170231112 JSPYDUPARGSLED-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1 170256892 QUYJXIKKGUJZSO-OAQYLSRUSA-N 435.501 4.549 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccco1 170287901 ZWZBISLVBMYMGL-QHCPKHFHSA-N 429.472 4.950 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 170446962 VNBWQJIQRHDSNV-HXUWFJFHSA-N 445.500 4.738 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(O)c(OCC)c2)c1 170463172 LSYIFELONFRBSJ-QFIPXVFZSA-N 449.459 4.566 30 10 IJEE COc1cc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc(OC)c1OC 254808239 HBWYXBXPTVHNTM-UHFFFAOYSA-N 438.431 4.534 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 464107879 BCDSOGOGOZWZMX-VWLOTQADSA-N 443.551 4.509 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nnc(-c2cccc(C#N)c2)o1 481364791 CNBLCCZLFBOFMC-UHFFFAOYSA-N 444.520 4.566 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 508489803 OSCSCDPHLSYJSU-SFTDATJTSA-N 440.906 4.511 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 508746519 KPXZNTGSNAEGFQ-NHZRIVAWSA-N 448.567 4.532 30 10 IJEE CC1(C#N)CCN(C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)CC1 509407685 RHYYNKWJFIRMRF-IBGZPJMESA-N 431.305 4.861 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)cc2)cc1OC 526486448 KXZKFZXOMVTVCW-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE C=CCCOCCCCC(=O)N1CCC[C@H]1c1ccc(I)cc1 540489459 CJWJIJSJFFDVFJ-SFHVURJKSA-N 427.326 4.718 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)Cc1csc([C@H](C)OCC)n1 559028102 OWTZVKOQPYDURM-SFHVURJKSA-N 425.602 4.944 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C)cc1)Cc1ccc(C#N)cc1 586162253 WGZOKBJAJMXCBR-UHFFFAOYSA-N 434.561 4.883 30 10 IJEE O=C(NCc1csc(-c2ccccc2)n1)C(=O)Nc1cccc(C#Cc2cccs2)c1 606105872 YLKSRFVNFZHYMT-UHFFFAOYSA-N 443.553 4.526 30 10 IJEE C#CCCCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 686694313 LYXLECWFSMHQKK-QHCPKHFHSA-N 437.561 4.905 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(Br)c1F 698380387 IOLXTDVEEOSUDA-MRXNPFEDSA-N 428.346 4.732 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCC2(C1)OCCO2 712794399 DRLINEHYYOCDAR-IBGZPJMESA-N 437.334 4.770 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(Cl)c1 733202294 PPFLSWNVZHCYCZ-IBGZPJMESA-N 425.941 4.632 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)c(Cl)c1 733202353 QNLKIVIYYCOZBA-SFHVURJKSA-N 447.894 4.602 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2c(C)cc(Br)cc2C)c1 733800940 JBCUBNNRIWGRSN-SFHVURJKSA-N 430.346 4.746 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 736992642 CFKIDGHCXOJDFI-UHFFFAOYSA-N 440.500 4.840 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] 751643392 IQVHFJUZIBRKHK-UHFFFAOYSA-N 427.265 4.639 30 10 IJEE C=CC[C@@]1(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)CCCN1C(=O)OC(C)(C)C 753423827 UGRQCMOBKHVOJG-OSPHWJPCSA-N 441.528 4.995 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)S/C1=N/[C@@H](C)c1cccs1 790284693 FPYTWWSPEXGDIZ-ZLWLIRGASA-N 443.594 4.810 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1cccc(C)c1C 809889838 NDHRXQCEMLQXBD-QHCPKHFHSA-N 445.567 4.849 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)c1ccc(F)cc1 812894900 QSTAGZIMNPDNQR-HRAATJIYSA-N 425.504 4.585 30 10 IJEE Cc1ccc(N=C2C(=O)N(CN3CCN(c4ccc(F)cc4)CC3)c3ccccc32)cc1C 1081116130 QEDVSEREFNXWIS-UHFFFAOYSA-N 442.538 4.690 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3c(Cl)cccc3Cl)n[nH]2)o1 1084480665 URHIOKSTVALGMC-UHFFFAOYSA-N 439.328 4.580 30 10 IJEE C#CCN(C(=O)[C@@H](CC)Oc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1126227522 AIJHZSRPZJEELV-VQTJNVASSA-N 442.353 4.901 30 10 IJEE C#CCN(C(=O)[C@H]1COc2cc(C)c(C)cc21)[C@H]1CCOc2ccc(Br)cc21 1126230514 ZJIGRUYNSXTXDM-PMACEKPBSA-N 440.337 4.528 30 10 IJEE C#CC[C@]1(C(=O)O[C@@H](C)c2nc3ccc(Cl)cc3n2C)CCCN1C(=O)OC(C)(C)C 1126703741 BABLAQVQVBABLG-NPMXOYFQSA-N 445.947 4.624 30 10 IJEE C#CCOc1ccc(COC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1 1127967143 GFRNDCBIPXWCGO-UHFFFAOYSA-N 440.293 4.792 30 10 IJEE C#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 1135588436 WAEQBYYLURWLPV-UHFFFAOYSA-N 444.434 4.740 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)cc1 1136611806 DEMMVYIVPHACBS-NJDAHSKKSA-N 425.326 4.680 30 10 IJEE CC#CCN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1141570583 MTXYHNJSNYAJKH-SANMLTNESA-N 438.527 4.748 30 10 IJEE C=CC1(CC(=O)N2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CCCCC1 1141808751 RBFIGWYXRYKRFT-RBBKRZOGSA-N 434.621 4.824 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 1147166611 RRIMVDRRLSLZRO-AUSIDOKSSA-N 426.582 4.969 30 10 IJEE COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2ccccc21 1176364163 BOQIPWAIHBNXET-YADHBBJMSA-N 428.513 4.841 30 10 IJEE C=CCOc1c(Cl)cc(CNC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC 1177631494 MJZLEBLJASFSAH-UHFFFAOYSA-N 428.960 4.616 30 10 IJEE N#Cc1cc(F)c(N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1Br 1184666133 GZXMLLFQCIYSEV-UHFFFAOYSA-N 438.300 4.575 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CCCC(=O)OC(C)(C)C 1206202824 IWUDIGFXRJYUEU-UHFFFAOYSA-N 427.339 4.600 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 1214860498 HUOPXCWRCPLJMY-UHFFFAOYSA-N 434.446 4.983 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)cc1 1220231268 AOZJJGXOMIICIW-UHFFFAOYSA-N 437.378 4.874 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1)c1ccc(C(F)(F)F)cc1 1224641321 JKHRXRAVBLIZQF-BBTUJRGHSA-N 439.478 4.633 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c(OC)c1 1267444733 BQJTZJCOQGSXQH-QFIPXVFZSA-N 436.939 4.951 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)n(-c2ccc(C#N)cc2)n1 1272252234 APERYGGNDUVMOX-KRWDZBQOSA-N 434.927 4.885 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 1277138551 XWEDQOQLLFMSCR-IERDGZPVSA-N 430.317 4.970 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(CCOC)CCCCC1 1286439324 OQSHMBXSWXLIHC-UHFFFAOYSA-N 443.595 4.876 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCCCCCC1 1286510176 KSPJBHPYRADMCM-UHFFFAOYSA-N 430.643 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(Cc1ccco1)C(C)C 1286557174 HEYBFZGOYSRPRH-RDPSFJRHSA-N 438.547 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1286558853 RFWUYYWGEXEXPK-LGVFNWMJSA-N 426.580 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1286562320 KMTGHCVLLZBXGG-OQEHDIDLSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286593496 NEWKJFYEGLMZMA-LJQANCHMSA-N 445.995 4.544 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)CC1CCOCC1 1286625468 HHGMDOZWTLZEBD-UHFFFAOYSA-N 432.996 4.985 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](COC)C1 1286632455 AJATUOMSMLQKES-SFHVURJKSA-N 432.996 4.770 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1286657079 SHMAEQUERHMOAV-WDSOQIARSA-N 444.542 4.773 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 1286677600 GAATYFAHMFRISC-DEOSSOPVSA-N 449.643 4.990 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1286682553 AOKPMWTWMIBSHV-UFYCRDLUSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1286701476 VXBURXMAQPMKGT-MOPGFXCFSA-N 434.588 4.514 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1CCN(CC)CC1 1286730833 PLGSZJXJABRMKP-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1[C@@H]1C[C@H]1C 1286746695 CHMQCBCPXNMKJT-DNVCBOLYSA-N 441.988 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCCCO1 1286750233 UUYWYVTWKOWSDA-IBGZPJMESA-N 443.642 4.847 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1291913817 ZWMPVWQXDRZZFV-HZSPNIEDSA-N 446.432 4.825 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CC[C@@H]1CCCCO1 1292596341 GGFDBBCJDNFJRO-QFIPXVFZSA-N 437.588 4.509 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1(C)C 1296930238 DNBAJFANYWOOHP-LEWJYISDSA-N 439.604 4.519 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CC2(CCOCC2)C1 1300274272 JTTWFZIFBQZQMU-CTNGQTDRSA-N 436.600 4.700 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCN(C)C1CCCCC1 1300291048 AWIWGXKOSNCRMB-FQEVSTJZSA-N 430.600 4.606 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1300386539 RATNAZXHTDFYAS-ZDUSSCGKSA-N 448.315 4.925 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCC1(F)F 1300618576 IUSXWOKZVFZCDL-GOSISDBHSA-N 425.483 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1cccc(C(F)(F)F)n1 1300907090 BZVJNWFEBXCSMH-UHFFFAOYSA-N 431.462 4.818 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccsc1 1300935469 RJSKVSKGORLDCS-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1301056719 IDHVVJYNGQJZAV-LJQANCHMSA-N 440.960 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1301144006 SLIOOWVPPNREKF-RDJZCZTQSA-N 436.959 4.580 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(C)(C)C)CC1 1301231299 GWOWYBQGNFKJIU-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1301289928 VCTAXKJCKYCLMR-PMACEKPBSA-N 448.615 4.979 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccc(F)cc1 1301359501 LBNZIDXDNLXFJP-DEOSSOPVSA-N 449.555 4.641 30 10 IJEE C=CC(C)(C)CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 1301364517 OYCGDDOHKMNVKP-UHFFFAOYSA-N 438.952 4.920 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1301620193 CPIKURCUPXOQJO-RTBURBONSA-N 444.645 4.687 30 10 IJEE CSC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)C#N 1302515396 GPTHXRKTMDICMH-NSHDSACASA-N 428.425 4.507 30 10 IJEE C=CCn1c(S[C@H](Cc2ccccc2F)C(C)=O)nc2sc3c(c2c1=O)CCC3 1307258865 IWDVJLGITIDGPZ-GOSISDBHSA-N 428.554 4.564 30 10 IJEE COc1ccc2c(c1)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CCO2 1310247899 GTITWZAWAUIMBK-UHFFFAOYSA-N 447.466 4.711 30 10 IJEE CO[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCC#N)CC1CC1)C(C)C 1315194196 FCYABLNIBSLKBL-FXAWDEMLSA-N 441.645 4.932 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)C1 1315241744 DOKZLQZWJFJIAK-OAQYLSRUSA-N 427.961 4.585 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc2cccc(C)c2nc1Cl 1349067607 NXBJDVIFKPXMLX-UHFFFAOYSA-N 425.868 4.940 30 10 IJEE C#CCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(Cl)cc1 1350376226 GQNYCPLCGHANBU-UHFFFAOYSA-N 448.972 4.905 30 10 IJEE C=CCCn1cc(C(=O)N(Cc2ccc(Br)cc2)c2ccc(F)cc2F)nn1 1350982149 WMISTVXLOSVISV-UHFFFAOYSA-N 447.283 4.742 30 10 IJEE C#Cc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 1351886812 BKKLKTGDAKQAJN-GOSISDBHSA-N 429.314 4.635 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 1357175935 MSTLRPSTGMXVIL-FGZHOGPDSA-N 435.568 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCO[C@H](C)C1 1358895783 QOTKHOSRYNPVHX-ZCNNSNEGSA-N 445.007 4.525 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2cccs2)nnc1[C@]1(OC(C)C)CCOC1 1358918027 JAZRWUZMXRMURA-CVDCTZTESA-N 428.602 4.525 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1358928841 MCKWGBCALUJAQE-JXFKEZNVSA-N 443.389 4.819 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCSC1 1359002377 XDUNWUSDRAKIFK-GOSISDBHSA-N 437.638 4.980 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(COC(C)(C)C)c1 1359004689 GFGAVMSQJKYICF-UHFFFAOYSA-N 437.975 4.816 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1359015432 SPLZGYIWWSNOCB-IBVKSMDESA-N 439.623 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(F)cn1 1359064144 MAQKEYNOGQOLEZ-QMHKHESXSA-N 439.922 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1359116389 JLGIDGUCAKIYHG-CJFMBICVSA-N 443.611 4.909 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1359121252 DXQQZKSDXTWYBQ-IBGZPJMESA-N 431.378 4.852 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCSC(C)(C)C1 1359189468 LSVAVFABXZOGLD-IBGZPJMESA-N 428.602 4.725 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)C(C)C)CC1 1359200717 OMPGTYITKFTUIA-UHFFFAOYSA-N 429.996 4.696 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359219415 PWDURMKOPGZWJA-UHFFFAOYSA-N 448.615 4.862 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCC(C)CC1 1359258371 OKRNRHZPBSQVAA-UHFFFAOYSA-N 430.600 4.573 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1CCCC(F)(F)F 1360466162 ADAWMKQKASVLBM-GFCCVEGCSA-N 430.272 4.788 30 10 IJEE C=CCOCCCNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 1437772707 QQOAZPCICSMTJV-UHFFFAOYSA-N 425.710 4.612 30 10 IJEE C=CC[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)OCC 1447549206 HYCCXZPZTYCACU-MRXNPFEDSA-N 426.563 4.705 30 10 IJEE Cc1nc(SCC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c(C#N)c(C)c1C 1456246949 GHCDJROMHGXKJH-LJQANCHMSA-N 432.014 4.941 30 10 IJEE C=CCn1c(SCCCNC(C)=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1458750806 FTNACHOILWQGFR-KRWDZBQOSA-N 432.659 4.962 30 10 IJEE CC(C)N(CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)C(=O)OC(C)(C)C 1461063443 CGJCQCYTMBFHLZ-OAHLLOKOSA-N 427.467 4.592 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)CC1 1463792034 BMWUSNRNUWMFAF-NRFANRHFSA-N 445.460 4.675 30 10 IJEE CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1Cc1ccccc1 1465437388 AIQSJSYOBKBPPM-HSZRJFAPSA-N 426.520 4.741 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1 1466055154 IDZCTZCSLBHWLU-HNNXBMFYSA-N 449.960 4.717 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)OCC 1468125935 RKTZPEUZADMYHD-NRFANRHFSA-N 437.927 4.820 30 10 IJEE N#C[C@@H]1CN(C(=O)NCC2(Sc3ccccc3)CCCC2)CCN1Cc1ccccc1 1468618703 CAVIVOGVJOEGQY-JOCHJYFZSA-N 434.609 4.511 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)C1 1468743304 GHOYJAWBICBZSD-IRLDBZIGSA-N 448.369 4.813 30 10 IJEE CO[C@@H](CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1ccc(Cl)cc1 1472965639 GUOWATVVZHPHHF-IBGZPJMESA-N 438.940 4.921 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 1474919500 AOAPGSXQBABACS-QGZVFWFLSA-N 426.460 4.651 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(CC)cc2)CC(C)C)cc1 1475974461 VSBYBFGEFLESHC-UHFFFAOYSA-N 443.613 4.746 30 10 IJEE C#C[C@H](NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(Cl)cc1F 1478901264 RQCAKLWOTLJUPQ-FUHWJXTLSA-N 449.231 4.556 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)C[C@@H](C)S1 1494235327 FQEJXCVILLPJDZ-ZIAGYGMSSA-N 430.002 4.910 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC)CC2)c(C)n1 1500518140 ARNYZHVICPZEPI-UHFFFAOYSA-N 431.588 4.797 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1507537198 SRALFWRABXIEFJ-HOKHCIIBSA-N 447.652 4.780 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@H](C)c1nccs1 1507572937 AXUMBSXXKMAPHD-DLBZAZTESA-N 427.549 4.667 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCc2cccnc21 1507608053 DPYIIFGPQRORPJ-INIZCTEOSA-N 426.351 4.836 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CC1(COC)CCCCC1 1507772433 PEWSIYRAYQHKLV-XMMPIXPASA-N 440.563 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1csc(Br)c1 1507798258 GPTSPCIOKBOQPY-WBVHZDCISA-N 437.407 4.597 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1507925340 FQBAHBMRBWBXQW-NPPFBWRTSA-N 428.552 4.917 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1C(C)C)C1CC1 1507993694 NQLZWUOBGOEWFG-VQTJNVASSA-N 429.609 4.764 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(SC)CCC2)C1 1508131572 MJFBANKUOMUEDE-FQEVSTJZSA-N 442.629 4.541 30 10 IJEE CCCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(C#N)CC2)CCC1 1514354886 BQPFZBGUZISFTP-UHFFFAOYSA-N 434.588 4.858 30 10 IJEE CN1c2ccc(Br)cc2N(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1(C)C 1520500067 CQCHWFLGHSGAAG-UHFFFAOYSA-N 442.332 4.753 30 10 IJEE C=CCCC[C@H](C(=O)N(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1)c1ccccc1 1524354052 IVQSZKZCMLUNPH-RDPSFJRHSA-N 440.609 4.571 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)CCCC1(C)C 1524687759 AZYWAFJFSOCMRF-DENIHFKCSA-N 432.630 4.765 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(C)(C)C 1525075774 MDDCIQWNESMLAE-IBGZPJMESA-N 432.442 4.501 30 10 IJEE C=CCN(C(=O)CC(C)(C)CC(F)F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1525329575 CRFVLHLCEUIKKM-UHFFFAOYSA-N 442.553 4.804 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(N(C)CCC)cc2)c(C(=O)OCC)c1C 1525887724 QPLXHLIYFCSGJJ-UHFFFAOYSA-N 444.553 4.675 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)CCCN1C(=O)OC(C)(C)C 1526600643 NJEMBBPTRTXVIH-LVXARBLLSA-N 442.600 4.822 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)NC2(c3ccc(Br)cc3)CCCCC2)c1 1531908743 ACUWDAFMGSENTF-UHFFFAOYSA-N 426.358 4.976 30 10 IJEE Cc1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)nn1-c1ccc(F)cc1 1537041809 FTXTZDJODHYPEG-OAHLLOKOSA-N 430.405 4.893 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(C)n(-c4ccc(Br)cc4)n3)cc2n1 1538562159 GIWYIJXCINRGKC-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE CC[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1cccc(Br)c1 1538609032 AJTFMIPTLYCQIN-OAHLLOKOSA-N 438.325 4.974 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1539134594 XRSUREDBRNEHJR-HSZRJFAPSA-N 432.568 4.982 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)[C@@H]1C 1539141160 YSNBOPMIOKVCLK-LSDHHAIUSA-N 439.412 4.908 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)C(F)(F)F 1539240089 WWUMGYZZQGHWOY-OAHLLOKOSA-N 438.881 4.733 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1OCCC1(C)C 1539337406 OBCRZQUVDOIARP-FQEVSTJZSA-N 443.016 4.502 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1(OC)CCC1 1539344935 NCOOJVJEVPUHRZ-UHFFFAOYSA-N 435.597 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC=C(C)CC1 1539620630 MJWOPJBPAWPILJ-ICSRJNTNSA-N 443.389 4.845 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1539728047 BXVMMDFPFUWBRF-INIZCTEOSA-N 428.886 4.970 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 1539774997 HRJQHFXQLYFXJE-QAPCUYQASA-N 425.360 4.685 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1539812038 LPLJXRULJMMKKQ-QGZVFWFLSA-N 431.968 4.594 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1540007235 LMCJJVHMCVDGQG-JOCHJYFZSA-N 446.624 4.931 30 10 IJEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)C1CC1 1540114834 RHAOZYJIDYZCHH-TZIWHRDSSA-N 440.636 4.524 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1540860343 FEVGEIZIXLCSRX-IBGZPJMESA-N 437.613 4.550 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC1(C)C 1544457692 GYGMDFURZHCBER-SFHVURJKSA-N 435.597 4.905 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc2n1 1558512685 HXSAWVHQAJEBQK-MRXNPFEDSA-N 429.307 4.521 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2F)C(C)=O)nc2sc3c(c2c1=O)CCC3 1559328413 AAFGRYABDFDGDW-SFHVURJKSA-N 446.544 4.703 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(Cl)c1 1563327683 VMYINHAVVURWMW-LJQANCHMSA-N 439.943 4.805 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1)c1ccc(F)c(F)c1 1564597464 WFCKYZIYLOLKIW-QFIPXVFZSA-N 443.494 4.682 30 10 IJEE CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCCC[C@H]1c1ccccc1 1583894580 FAWSSUOHVHECPA-PXNSSMCTSA-N 427.342 4.884 30 10 IJEE Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ncc1C#N 1585002756 GVTSJFFFXKUJDI-UHFFFAOYSA-N 435.281 4.529 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCc2sccc2C1 1587804309 YGKTYBXJHHXKHS-UHFFFAOYSA-N 433.581 4.575 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1587820906 XOSLFBVFJPFPEF-IQGLISFBSA-N 438.572 4.615 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](OC)C(C)(C)C)CC1 1594408772 OEQOSJQGFIXXMR-JOCHJYFZSA-N 426.605 4.535 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](CN2CCCCC2)C1 1594698447 RDTTUOBOCQDKET-LJQANCHMSA-N 444.023 4.886 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1cccc(C(F)(F)F)n1 1594998061 WWLMPLUYLXIIJD-UHFFFAOYSA-N 431.462 4.558 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)OC(C)(C)O2 1595191327 OZAFKSYLCUUCOG-UHFFFAOYSA-N 437.931 4.728 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@]1(C)OCCc2sccc21 1595196530 WGLVWRXGXVVLAT-DEOSSOPVSA-N 436.581 4.682 30 10 IJEE Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)nc(O)c2ccccc12 1597170185 FSGPZCKTVQVRIZ-UHFFFAOYSA-N 433.518 4.517 30 10 IJEE CCO[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1)C(C)C 1616108902 GGUADZQYQDXGIA-TXTKFYIRSA-N 439.604 4.662 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccccc1 1616817480 FGERWTQTAIKBPD-GEFUHLBYSA-N 446.544 4.674 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)[C@@H](C)COC 1617421095 TVZVBMCRBXWGSU-FQEVSTJZSA-N 440.547 4.810 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N(CC)C[C@H](C)C#N)ccc2C)cc1 1624820634 AIQGEJIVTSSGRR-GOSISDBHSA-N 441.597 4.760 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)n[nH]2)c1C 1626407672 IXXXBVNAOKWINB-UHFFFAOYSA-N 438.963 4.972 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1628738631 CHAJBDGUCCQYRO-LBPRGKRZSA-N 426.344 4.630 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4ccc(Cl)cc4)CCCC3)n[nH]2)c1C 1631005937 LQXMNDUYIZZCJE-UHFFFAOYSA-N 437.975 4.971 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccs1)c1ccc(OC)cc1 1633062296 IVUAKBWCNKLAMI-FQEVSTJZSA-N 428.554 4.597 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 1634720889 NQFMPYNEKYJLPK-CVDCTZTESA-N 436.552 4.750 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1OC 1636247168 URLCTQIAVVBPJC-UXHICEINSA-N 433.321 4.598 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H]1CCCO1 1638298352 QRUMNUPCVIVZMZ-CLOONOSVSA-N 448.563 4.545 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)C1 1640187128 UVVBANNUBQYUAW-MRXNPFEDSA-N 444.503 4.504 30 10 IJEE C=CCn1c(SC[C@@H]2C[C@H]2C(=O)OCC)nc2cc(-c3ccccc3)sc2c1=O 1640771473 BQPFKIKQUPETAZ-JKSUJKDBSA-N 426.563 4.602 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(C)cc1 1641019128 LRBGAELCMLGJJH-GOSISDBHSA-N 449.580 4.885 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1ccccc1C(C)=O 1641675504 MUPAXOGSCMADPO-CQSZACIVSA-N 433.321 4.806 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1643543329 OIKCORORANZNTH-RMWKRFJVSA-N 428.532 4.787 30 10 IJEE COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)c2ccccc2Sc2ccccc2C#N)c1 1644241109 FFBLADVOURDTRZ-GYCJOSAFSA-N 448.544 4.579 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1OCc1ccccc1 1648749418 RUMQXHGTUGWDMI-QFIPXVFZSA-N 436.552 4.531 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1ccc(F)cc1 1652407082 JLBZYLOGDHCNRQ-HSZRJFAPSA-N 449.913 4.885 30 10 IJEE C#CCN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCc2ccccc21 1653214224 CLKLEASPSRQKEW-XCZPVHLTSA-N 426.535 4.996 30 10 IJEE N#Cc1ccc(CN2CCN(c3cc(Cl)ccc3Cl)CC2)c(Br)c1 1654121221 DUSFNZZFBKOCFM-UHFFFAOYSA-N 425.157 4.950 30 10 IJEE Oc1nc(SCC#Cc2ccc(OC(F)(F)F)cc2)nc2c1cnn2-c1ccccc1 1655979772 VTVSDWOHOBDFKM-UHFFFAOYSA-N 442.422 4.564 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cc(OC)c(O)cc2Br)cc1OC 1657631305 HLZQLAAHRSRNAA-UHFFFAOYSA-N 442.737 4.680 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1ccn(-c2ccc(Br)cc2)n1 1658600426 YJKXGXFZZHDLBB-UHFFFAOYSA-N 430.733 4.590 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 1668622714 HTQGJCBBGHKQQZ-QFIPXVFZSA-N 426.923 4.724 30 10 IJEE COc1cc(NC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c(F)cc1C#N 1671933432 GQHCYJVNMRBNTO-QGZVFWFLSA-N 436.256 4.977 30 10 IJEE COc1ccccc1C1(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCC1 1672016122 FQOXLBYDSLVTSR-UHFFFAOYSA-N 428.492 4.998 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)cc1 1674197197 DLNWFUDRFZOCKS-UHFFFAOYSA-N 431.458 4.624 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 1674221468 KCJHWJUEWKLHAB-WSTZPKSXSA-N 429.561 4.799 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)CCCC1(C)C 1677447333 RKCSXBZXAWLUAH-QFIPXVFZSA-N 433.040 4.628 30 10 IJEE C=CCC[C@H](NC(=O)NCC(C)(C)C(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1 1679306306 XGDFVRIHNSVJPK-SFHVURJKSA-N 425.495 4.661 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](NC(=O)OCC)C1)c1ccc(C(F)(F)F)cc1 1680856446 ZRCKOWKQDIZSJF-ZWKOTPCHSA-N 427.467 4.633 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C)c1ccc(Br)cc1 1686647885 ZDEDDSSJTFNNFO-KSSFIOAISA-N 431.330 4.509 30 10 IJEE C=C1CCC(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)CC1 1687541890 XEJULNCOVSFDOT-NRFANRHFSA-N 443.588 4.745 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCCCC2)C1 1690163656 MXFJODYZBQAPJQ-UHFFFAOYSA-N 448.995 4.644 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](OC)C(C)C)CC1 1690368902 PRUKDHVFSPYVPI-QFIPXVFZSA-N 428.577 4.568 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1690396714 KGTKBBDNNSMIOV-SIKLNZKXSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)C(C)C)CC1 1690457145 RPFPPJFFMPYGRA-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1690464971 OPXIVOUHHGDXKU-UHFFFAOYSA-N 429.634 4.602 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)N1CCC(C)CC1 1690565092 ACPZKIQTDIPIQH-LADGPHEKSA-N 437.632 4.833 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCC1(F)CCC1 1690611176 CTTCDNNBAIVHRY-UHFFFAOYSA-N 437.357 4.629 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1690615857 VEUWKRWLBCPFFK-GOSISDBHSA-N 434.531 4.808 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1690697639 ZKIGCVWNEHPRAI-RCCFBDPRSA-N 435.494 4.723 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1693622866 HGVLNCDCKCVIHU-UOKFIYJESA-N 441.645 4.668 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1 1695237881 ASLXILHSLHGHFW-HSZRJFAPSA-N 426.653 4.795 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCC2(C)C)c1 1705505356 MNULIYFKWZCNNI-HXUWFJFHSA-N 445.567 4.729 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1705660962 MZGQQFDPCKAPCB-GHTZIAJQSA-N 449.451 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1 1705698344 SISWGHJLOGGCJU-BEFAXECRSA-N 449.368 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(C)C)CC1 1705701801 ISKUEHRXABJBPB-RDGATRHJSA-N 438.616 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCOc1ncccc1F 1705713726 QUEAQYIDYKTFSA-UHFFFAOYSA-N 432.503 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1705719450 ZLGFHJCGQWJFIT-QGZVFWFLSA-N 438.597 4.713 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1705734847 COWMJUDBOVVHNM-XMMPIXPASA-N 437.632 4.629 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CC=CCC2)CC1 1705771343 PNYPDHYKSYTNEE-UHFFFAOYSA-N 435.616 4.707 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1705785890 AMBPVQNWGNBLLQ-VQTJNVASSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCOCC1 1705786031 DOFRUPYMFDYQEI-IBGZPJMESA-N 428.577 4.646 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(SC)CCOCC1 1705834851 UFROBCXCKQVLLQ-MRXNPFEDSA-N 437.009 4.606 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705875085 HCZLNRFTKZHVSG-QGZVFWFLSA-N 437.588 4.816 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@H](C)C1 1705942197 KBTLCKAMWCWQTG-CHWSQXEVSA-N 427.437 4.781 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705948839 GZIWYWGNVGXBGB-GOSISDBHSA-N 430.593 4.932 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722488706 CDRSYFGPIHYKJL-HOCLYGCPSA-N 437.357 4.920 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2C)C1 1722534434 PABOUGPWVGRFGC-FQEVSTJZSA-N 437.613 4.529 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H]1C 1722603446 JGZSSZZXRWSOKH-MOPGFXCFSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722607483 VHQJOHFLICONAB-MJGOQNOKSA-N 431.378 4.679 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1722610163 LPOVTDCUXFEGGU-INIZCTEOSA-N 434.993 4.579 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1OCCC1(C)C)C1CC1 1722646631 STYQCUCCMWAKGQ-GOSISDBHSA-N 449.368 4.817 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)SC)C1CC1 1722649772 XZYJFJXIJWUJPL-KRWDZBQOSA-N 449.665 4.689 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCC1(F)CCC1 1722678468 RNUOZUCBTHTDMT-UHFFFAOYSA-N 443.386 4.690 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)CCC1 1731067436 FDPBJDRWJPXDRL-UHFFFAOYSA-N 425.602 4.641 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C)n2)C1 1731110134 CJZHKPKOZFIFPP-HXUWFJFHSA-N 438.626 4.546 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1740708934 GGATWMOUPDSXDF-MQSCRBSSSA-N 439.673 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC(C)(C)C1 1740753515 KWVDQSWFPLXPON-YJBOKZPZSA-N 448.409 4.643 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 1740815340 VJVAZNWODGPCEW-UHFFFAOYSA-N 444.160 4.752 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cnccc1OC 1740893108 XQKUYTBMJZDEOG-UHFFFAOYSA-N 425.945 4.887 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1nccs1 1740916832 YPFBFZWUYRXWRF-RXVVDRJESA-N 448.596 4.844 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1748699356 OFQWHUMCABDQKA-ACIOBRDBSA-N 435.616 4.511 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C1CCCCC1 1748714295 XIEGHQQPHGTKOY-UHFFFAOYSA-N 446.599 4.808 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](COCC)C1 1749024113 FTGUFQNNEWRLLE-SFHVURJKSA-N 444.670 4.505 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cc(C)cs1 1749032994 XDOFQKIVBNIWOA-UHFFFAOYSA-N 448.621 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1749375884 KPJIKDBPHGJJCP-JOCHJYFZSA-N 426.605 4.937 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC=CCO1 1749563487 IXSMZLAAPHTHBU-GOSISDBHSA-N 429.362 4.540 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1749741169 RMFFDUHZXJILLP-KRWDZBQOSA-N 449.571 4.548 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1760150462 OAOAPHYOMYUWSW-UHFFFAOYSA-N 431.584 4.794 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1760275763 IFAPKDOLLLRURE-SFHVURJKSA-N 426.630 4.613 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC(OCCC(C)C)CC1 1760277820 GGOCALWEHCSWEH-UHFFFAOYSA-N 426.630 4.651 30 10 IJEE C=C(Br)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)CC 1760310459 GBOCBVIDYXTTBB-UHFFFAOYSA-N 427.774 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760408572 OZLDWXXDADQMIE-JTSKRJEESA-N 440.588 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760409858 KFIBWJTVHYZYDR-KOSHJBKYSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760410361 BKXRXYJEVQSNNV-IBGZPJMESA-N 435.576 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(OCCc2ccccc2)CC1 1760411022 ZMWDKODWPMYDBP-UHFFFAOYSA-N 446.599 4.566 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1760413355 GBKKFTRGDZFDQD-UHFFFAOYSA-N 437.632 4.820 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1760415786 KWUHBBZNKGSJOH-LJQANCHMSA-N 428.552 4.655 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(OC)CC1 1760444583 LDYPPBVJFSXXAR-CYFREDJKSA-N 447.624 4.712 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H]1N(C)CCCC1(C)C 1760483654 XRAWCVAFQXYVDG-JOCHJYFZSA-N 436.579 4.725 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCc2cc(C)ccc21)C(C)C 1760487718 CAQFLKTVTGAFDV-RUZDIDTESA-N 444.627 4.985 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](C)CC[C@H]1C 1760516162 WPEYKEQYIVEWJF-HUUCEWRRSA-N 444.004 4.740 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2C)C1(C)C 1767665861 FOPOVLUDSHDSBY-LEWJYISDSA-N 435.597 4.875 30 10 IJEE CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1ccc(C(=O)O)cc1 1772761355 GPJYCYRTWDSHDL-CLEIAUBXSA-N 431.311 4.771 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416110 CTYNKJJILPFUQM-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1862431180 BAHTVZSHJANTQC-IBGZPJMESA-N 433.335 4.523 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862457453 PKNUEZPVJILWFR-LJQANCHMSA-N 431.341 4.615 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504587 XTFJUTFWAUSRLA-QFIPXVFZSA-N 436.483 4.619 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1F 1862507066 ZBTAVIISNNCLKF-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(O)c(O)c1 1862517966 ZDYNVAQRXQUWNU-JOCHJYFZSA-N 439.508 4.655 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(Cl)cc2)cc1 1862535729 JIPFUPYGGZKZIM-OAQYLSRUSA-N 427.928 4.643 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862540839 XFWHEXHMLQYUKG-LJQANCHMSA-N 426.856 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 1862548552 VAMUMRTZAJFTQB-DEOSSOPVSA-N 447.531 4.888 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862554875 MPDPBSPBPTWDHH-QHCPKHFHSA-N 430.479 4.537 30 10 IJEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(O)c1)c1cccc(O)c1 1862590027 ZIMZXOQQQPPSFM-TVQFERKRSA-N 445.515 4.645 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 1862594737 VUEPLZQLWDHLBO-JOCHJYFZSA-N 448.475 4.769 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862602461 CEVYOBYSJUCPOI-XMMPIXPASA-N 443.499 4.960 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862618266 RYXJFMSVGYBLRH-NRFANRHFSA-N 440.971 4.777 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862688018 SQIMYLFGGLMWJP-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)c1 1862698418 HIFMMKFUMWZIQA-QMHKHESXSA-N 429.472 4.740 30 10 IJEE Cc1ccc(C)c(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862946199 BMATUOYTEQKQPF-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCNC1=C(c2ccc(OCC)cc2)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1863571709 SDKATNTUANBXHG-UHFFFAOYSA-N 438.527 4.730 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCOC)C1=O 1863680086 MYQFGXCPWGRFIT-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE CCOC(=O)c1sc(NC(=O)C(C)(C)c2cccc(Br)c2)c(C#N)c1C 1866062111 BRVICRQYIDEXSP-UHFFFAOYSA-N 435.343 4.784 30 10 IJEE CCOc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2c(Cl)cccc2Cl)cc1 1870106535 QKTLBYREXMJDCO-DHZHZOJOSA-N 442.306 4.555 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)c1cccs1 1870149410 RSACFFRTFWJJIV-UHFFFAOYSA-N 435.896 4.685 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3cc(Cl)ccc3n2)cc1 1870162107 LLWDPFMFVCFVNI-UHFFFAOYSA-N 430.899 4.935 30 10 IJEE CCOc1cn(CCCOC(C)C)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870237781 GGIUJZWCLOLUMF-UHFFFAOYSA-N 429.586 4.546 30 10 IJEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN(CC)CCc1ccncc1 1870464228 ADJXKMKZPLGHQY-UHFFFAOYSA-N 431.580 4.635 30 10 IJEE CCOc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871418333 OJILQOJVMIKKGJ-UUYOSTAYSA-N 433.460 4.929 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1cccc(Cl)c1)C2=O 1871428473 CXBUNIMONCFTBT-ZHZULCJRSA-N 430.884 4.613 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1872005645 GYXGLKABJDCIHA-SFHVURJKSA-N 444.597 4.587 30 10 IJEE Cn1c(C2=C(N)N(c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)nc2ccccc21 1873531160 FKGPHQIDCZWDJX-UHFFFAOYSA-N 444.922 4.522 30 10 IJEE O=C(Nc1n[nH]c(Cc2ccc(F)cc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1873732162 IYNOBWBYJNNFSW-UHFFFAOYSA-N 432.299 4.825 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874236393 HCDLFXCVPHGQSH-HYARGMPZSA-N 441.513 4.548 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)cc1 1874292312 XLAMSMYTPMBVIX-VULFUBBASA-N 449.511 4.574 30 10 IJEE Cc1cccc(OCc2nnc(SCCCO)n2/N=C/c2c(F)cccc2Cl)c1C 1874324522 PHIHMTDCHQQNIL-WYMPLXKRSA-N 448.951 4.623 30 10 IJEE CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874326773 FVLIUUOYOSJRLF-FOKLQQMPSA-N 446.960 4.836 30 10 IJEE O=C(CSc1nnc(CCc2ccccc2)n1/N=C/c1cccs1)Nc1ccccc1 1874396527 KBLJHQYXWALWFM-LFVJCYFKSA-N 447.589 4.738 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cc(C)ccc2O)o1 1874428002 MNNCDWHYLZQNFX-ZMOGYAJESA-N 448.504 4.513 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2C)o1 1874428257 ZXJUKXUCTWTEPT-ZVHZXABRSA-N 432.505 4.808 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CCCC2)c1 1874457172 DRTWTSQGPPDULG-YDZHTSKRSA-N 430.574 4.508 30 10 IJEE CCOc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C(F)(F)F)ccc1O 1874462104 MHXPGYLMBOGCQP-ZMOGYAJESA-N 436.459 4.618 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2F)c1 1874493594 VJONZCWVXLABSU-DHRITJCHSA-N 437.544 4.915 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(Cl)cc1 1874509906 BHANZPMZHYSQET-FOKLQQMPSA-N 431.924 4.807 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3nccs3)c2)cc1Cl 1874600218 ZWVMGFMRGOCVLS-FNORWQNLSA-N 428.897 4.719 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCC(=O)NCCC 1874606937 NZGGCTSLLPXIBX-PKNBQFBNSA-N 437.536 4.542 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 1874617355 XQFZWUZPMWTIHH-IZZDOVSWSA-N 432.900 4.975 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 1875112326 CKXSDNMOXWBJDO-LHHJGKSTSA-N 448.471 4.836 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1875146483 WNMYAZADOMRFSM-UNXLUWIOSA-N 449.390 4.620 30 10 IJEE CN(CC1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1)c1ncccc1C#N 1891372128 LUJVGBHFDDQRMC-UHFFFAOYSA-N 440.547 4.521 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2oc3c(C)c(OC)ccc3c2C)c1 1891500275 XYUADXHLHFMNHI-UHFFFAOYSA-N 434.536 4.717 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)cc1F 1894937745 GPWCQRWWONGCGF-IRXDYDNUSA-N 431.321 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 1922052424 SFUFMEBFNURMRX-FCHUYYIVSA-N 434.621 4.524 30 10 IJEE O=C(N[C@H](CCSCC#CC1CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1928616219 INNBDATXUTUBIC-HSZRJFAPSA-N 435.545 4.515 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CCC1(C)C 1950231348 VWCREOYOKUNXHN-OAQYLSRUSA-N 436.557 4.996 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1984694589 JFSVWPGKEHINBV-QWHKJSHPSA-N 445.563 4.844 30 10 IJEE CCCCC#CC[C@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2024367362 JLWBNDPRFYMTMW-BJKOFHAPSA-N 429.649 4.964 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NC 2047972644 FMEWZKHWKVDICL-UONOGXRCSA-N 435.765 4.842 30 10 IJEE CCOC(=O)c1c(C2CCC2)nn(-c2cc(C(F)(F)F)cc(F)n2)c1C(F)(F)F 2078889076 JQEMFBGZYAZMFR-UHFFFAOYSA-N 425.304 4.888 30 10 IJEE CCc1nn([C@@H](CC)c2c(C)cc(C)cc2C)c(I)c1C=NO 2079979147 LWIAJHHRVZORES-INIZCTEOSA-N 425.314 4.783 30 10 IJEE C=CCN(CCC(=O)N(C)Cc1cc(C)c(Br)s1)C(=O)OC(C)(C)C 2082339610 XLYOPBZDVUEYJJ-UHFFFAOYSA-N 431.396 4.591 30 10 IJEE C[C@@H]1CCCN(c2cc(Br)cnc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174716077 PVHHTNDVYPJCKQ-PBHICJAKSA-N 437.382 4.626 30 10 IJEE CCCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(Br)cc1C#N 2174814586 JLZRALDYOHCKGH-OAHLLOKOSA-N 437.382 4.579 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)Nc1cc(Br)ccc1C#N 2181107943 NINGULOCTDQLJR-INIZCTEOSA-N 436.350 4.829 30 10 IJEE CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1C#N 2181147728 UJEYRGYCVMQXGV-OAHLLOKOSA-N 438.366 4.979 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(F)ccc2Br)NCC)C1 2183007595 DWSYOFMYZMVZQY-SFHVURJKSA-N 441.385 4.970 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(F)F 2235733097 TWUCMLNOXJPLIH-RDJZCZTQSA-N 445.348 4.717 30 10 IJEE CC1(C)OB(c2sccc2C(=O)N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241475959 IYEJMZFESJJRPT-UHFFFAOYSA-N 433.382 4.890 30 10 IJEE CC1(C)OB(c2cc(Cl)ccc2C(=O)N(Cc2ccccc2)C2CCC2)OC1(C)C 2247915701 IFJIESMXCZGKFL-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3scc(Br)c3Cl)CC2)OC1(C)C 2253610500 BPCJDIMTIINXFC-UHFFFAOYSA-N 434.592 4.862 30 10 IJEE CC1(C)OB(c2cnc(Nc3ccc(Cl)c(Br)c3)c(F)c2)OC1(C)C 2269006621 JWWPXTQPWDZNHX-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CC[C@]1(COc2cc(OC)c(Br)cc2N)CCN(C(=O)OC(C)(C)C)C1 2287843415 ASPJXFYSUYVSOF-FQEVSTJZSA-N 441.366 4.622 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2289691796 FJMZPTJAWNSUMJ-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE COc1ccc(N=C2SC(=Cc3ccc(OC)c(OC)c3)C(=O)N2CC(C)C)cc1 2294619842 ACXWKVCECXLKFW-UHFFFAOYSA-N 426.538 4.972 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(C[C@@H](N)C#Cc1ccc(Br)cc1)C(F)(F)F 2296301703 YDRDDRLHNGQKJI-MAUKXSAKSA-N 449.311 4.611 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(CCOC(C)C)CO2 2322015395 RPXYREPQZURQAH-UHFFFAOYSA-N 431.891 4.981 30 10 IJEE COc1cc(C=CC(=O)C(=O)N2CCCc3ccccc32)ccc1OCc1ccccc1 2323226292 RXGOXQPHFXKHAU-UHFFFAOYSA-N 427.500 4.836 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 2323561792 RVDNLIHLPNNJFT-UHFFFAOYSA-N 428.371 4.768 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(OCCO)c(OCC)c2)cc1 2323934271 JBWGEVUKGDCNND-UHFFFAOYSA-N 449.341 4.904 30 10 IJEE Cc1cc(O)c(CN2CCC(O)CC2)c2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2323999681 IOEXEGZWCOQERU-UHFFFAOYSA-N 434.319 4.580 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2324675590 WZCVFGATBVTEQK-UHFFFAOYSA-N 448.471 4.786 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)NCc3ccccc3)cc(C)c2C1=O 2324966953 HZGMAUYMOQMVAO-UHFFFAOYSA-N 443.499 4.705 30 10 IJEE CN(C)c1ccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)cc1 2325474527 PPDWVYNAGLAOCJ-UHFFFAOYSA-N 428.488 4.776 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325627931 DZEQUHCSPNWCOS-CQSZACIVSA-N 448.406 4.756 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1ccc(Br)cc1F 2325702909 PPTGSGAJHLBPSG-UHFFFAOYSA-N 445.057 4.711 30 10 IJEE COCCC(=O)Oc1cc(C=CC(=O)c2cc(C)ccc2C)c(Br)cc1OC 2325740240 UJPLNAYJQGCGHX-UHFFFAOYSA-N 447.325 4.913 30 10 IJEE COc1ccc(OCc2nnc(SC)n2N=Cc2cc(C)ccc2O)c(C(C)(C)C)c1 2325815989 UVBFCNKMPPYBOS-UHFFFAOYSA-N 440.569 4.781 30 10 IJEE CCOc1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1Br 2326258314 IWVNWICOOVSPLI-UHFFFAOYSA-N 435.322 4.753 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(O)c(OC)c1 2327288801 LCZQTJXQJFILKS-UHFFFAOYSA-N 438.553 4.657 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1ccccc1 2328486290 QPWXWIDNKXOCPS-UHFFFAOYSA-N 429.505 4.952 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1cccc(Cl)c1 2330221898 RRYHUZIYWXNLII-UHFFFAOYSA-N 448.036 4.897 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(OC)c3)c(OC)c2)cc1 2330993243 KFXFZZQNPDCWSN-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccccc1F 2331334899 SPGFILNMFYIRNF-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC(Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2339576191 FLZNOAWSCZXKOG-ZHACJKMWSA-N 442.365 4.505 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339580476 CPHBZSGQXOPRFI-CUUBAEMASA-N 442.365 4.503 30 10 IJEE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)N(CCC#N)c2ccccc2)C1=O 1868081 SXGYVLFJTSQXHB-TXWVUNSISA-N 447.585 4.781 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1SCC(=O)Nc1cc(C)cc(C)c1 3635944 FUILNNMJKFHATP-UHFFFAOYSA-N 431.565 4.884 30 10 IJEE Cc1csc(/N=C2/S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2C2CCCCC2)n1 39865624 ZBXXEOJEYFDWQA-FKCKOBBUSA-N 438.578 4.735 30 10 IJEE Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c12 46538579 JEXOGEJPHNVQIX-UHFFFAOYSA-N 433.471 4.584 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1 59021578 QWURHHDJQYQSJY-JJFYIABZSA-N 448.321 4.517 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 63394284 VKVKWNQXGCVEQL-UHFFFAOYSA-N 444.491 4.745 30 10 IJEE CCOc1cc2c(cc1/C=C\C(=O)c1ccc(N3CCN(CC)CC3)c(F)c1)O[C@@H](C)C2 96765558 FKROZMXGMYUWPP-CNRGFGOASA-N 438.543 4.586 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]1c1cccnc1 170008604 JYVNJFAIUXLCMV-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccnc1 170009628 ZDDZOHLINQNEFS-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1 170055410 OISAZKYCUARTBT-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 170068533 GUMYUKGDQYEMQV-QFIPXVFZSA-N 440.971 4.993 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 170073256 IQCXYJXVAPWXCV-NRFANRHFSA-N 438.911 4.825 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 170078407 SUCMVZDOMOCQPV-QHCPKHFHSA-N 444.487 4.808 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC(F)(F)F)cc2)=C(c2ccc(OCCC)cc2)C1=O 170142870 DKCLSTKYVXJDKX-UHFFFAOYSA-N 446.425 4.752 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)c(OCC)c1 170188112 YMDAJLSRKPHPPD-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccncc2)c1 170212364 GWCNYEDTTVGZRI-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccco2)cc1C 170288055 VHZTWZNPEJKLMB-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170379099 VUZIHGUMARFJAD-JOCHJYFZSA-N 431.444 4.915 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1c1ccc(N2CCCC2)cc1 170396351 YYHWUFSIMLAFQV-DEOSSOPVSA-N 439.515 4.773 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccc(OC)cc2)c1 170419671 OFUSKEJFNOTAKM-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE CC(=NN=C1S[C@@H](CC(=O)O)C(=O)N1c1ccccc1)C12CC3CC(CC(C3)C1)C2 254395837 ZNMSRRSGWAGBJK-UVLALUNPSA-N 425.554 4.558 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(CCc2ccco2)n1C[C@@H]1CCOC1 461520171 OMIHFWICYNCYCD-INIZCTEOSA-N 432.977 4.600 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nnc(-c2ccc(OC)cc2)o1 481367246 CNFKZMAUZNXTFT-UHFFFAOYSA-N 449.536 4.702 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3ccc(=O)n(C)c3c2)cc1OCC 487172251 LMCOXXXKOBFDJW-UHFFFAOYSA-N 443.341 4.877 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(OC)c([N+](=O)[O-])c1 489613231 HAPOXGUTFJYQLR-UHFFFAOYSA-N 426.498 4.561 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccncc2)cc1OCC 526607749 VKWQGVQLDJAYNO-XMMPIXPASA-N 441.487 4.808 30 10 IJEE CC(=O)c1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(C#N)cc2)C1=O 526660207 ANUNVKXMIKOUIW-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl 534906045 JTIZIJQSQCGGPD-NRFANRHFSA-N 445.906 4.707 30 10 IJEE C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)Nc1ccccc1Br 579418286 BCOIYPCJYDCHPE-CQSZACIVSA-N 437.297 4.947 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N(Cc1cccc(Br)c1)C(C)C 583172726 MZYZZDMAXKTDKR-UHFFFAOYSA-N 426.362 4.627 30 10 IJEE N#CCCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586177722 IWNANFLQABYKGJ-UHFFFAOYSA-N 435.505 4.679 30 10 IJEE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 601187743 LFGUWNMPSNREIY-OAQYLSRUSA-N 436.559 4.929 30 10 IJEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)c(F)c1 609756084 FTOSNJAENZYGNC-UHFFFAOYSA-N 425.529 4.518 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nc2sccc2c1=O 613441931 ZYTVWZFGGDGFAC-INIZCTEOSA-N 427.595 4.562 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1cccc(I)c1 698854572 LYUZGGFEJOUXSF-GFCCVEGCSA-N 440.203 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 699670589 YJWQWHBYJAPPSQ-KUHUBIRLSA-N 435.487 4.715 30 10 IJEE N#Cc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(Cl)c1 700340698 BCQLZJHSHYXZAK-QHCPKHFHSA-N 446.890 4.746 30 10 IJEE CCOc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2CC)cc1 725438583 FUJXHEDXXOUPBR-HXUWFJFHSA-N 425.554 4.682 30 10 IJEE CN(C)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)n1 733678897 NTLJZYILBDZQEQ-KRWDZBQOSA-N 434.883 4.554 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccccc1C 735967950 BFATUFNACDIPTN-IBGZPJMESA-N 443.956 4.716 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 739724202 OAWIYFOHAZEACY-UHFFFAOYSA-N 442.478 4.742 30 10 IJEE CCCN(CC)Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 741337300 FXTNODDJPYZJKV-MRXNPFEDSA-N 439.581 4.524 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 744840116 MPOKNTOOGFNDPD-DJJJIMSYSA-N 435.307 4.839 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)n1 788548365 LUKWUFVEGWWOOW-UHFFFAOYSA-N 448.592 4.965 30 10 IJEE C=CCn1c(-c2ccco2)nn(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)c1=S 808240362 LUEOKNSNLGNQMP-INIZCTEOSA-N 426.546 4.695 30 10 IJEE CC[C@H](C)NC(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084302582 PFKPGOUTBBRQGN-HNNXBMFYSA-N 432.553 4.564 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc3[nH]ccc3c2)c(C(=O)OCC)c1C 1124821005 MRJYRLVLWVBSRS-VQHVLOKHSA-N 438.505 4.709 30 10 IJEE C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1126549263 DZWKXVWJSGLGBS-GFCCVEGCSA-N 432.336 4.624 30 10 IJEE Cc1nn(CC(=O)N[C@H](C)c2cccc(C#N)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 1133725394 HPGJYGDTBHGQAN-CYBMUJFWSA-N 429.446 4.631 30 10 IJEE CCc1ccc([C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)N(C)C)cc1 1135926183 DTMRRXPSDKIYDO-VWLOTQADSA-N 427.548 4.732 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 1141609434 ITCMMDKHSAFRAF-GHTZIAJQSA-N 443.588 4.630 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 1148743153 MNAWSIGDCBSLSD-MAUKXSAKSA-N 428.907 4.707 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N(C)C(=O)NC)cc2)cc1OCC 1179457592 HRVZCAUUWPLWFP-UHFFFAOYSA-N 448.361 4.800 30 10 IJEE CCC[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CCN1Cc1ccccc1 1205019719 DZENNIIBONSXKV-FQEVSTJZSA-N 441.373 4.839 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)C(C)C 1211221858 IRTCNGPZFMKTOQ-OAQYLSRUSA-N 428.552 4.555 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)OCC)c(C)cc1F)c1ccc(Br)cc1 1217755176 SSPRXDLAUMOYSG-QGZVFWFLSA-N 433.277 4.569 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4ccc(Br)c(F)c4C3)cc2n1 1220157810 WNKJHMYTDIMZMH-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=C(C)[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1)c1ccc(F)c(F)c1 1226646796 HZJKYNJRYAGFTP-DVECYGJZSA-N 443.538 4.515 30 10 IJEE C=CCOc1ccc(CNC(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)cc1 1228137379 DOQZNKXVEBMZAU-UHFFFAOYSA-N 430.552 4.731 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1)c1ccc(Cl)cc1 1230488562 AHQCWAKOPVLUKE-LEWJYISDSA-N 431.964 4.637 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1234235374 FQNVPPZIYUKHHL-IYERYRBDSA-N 443.588 4.569 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cccc(Br)c2C1)c1ccc(Br)cc1 1252459664 UZVBEFBGCRXQLL-SFHVURJKSA-N 448.158 4.654 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Br 1275389478 KCARRMCTVNJEOF-UHFFFAOYSA-N 425.120 4.958 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1286300693 CFWVHALDXWXJSX-GGAORHGYSA-N 436.600 4.814 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)c1ncc(C)s1 1286450944 OWHCAPIMTIAATK-OAHLLOKOSA-N 429.977 4.539 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)CCC 1286453483 UUKHVEXQDUDFPN-MBSDFSHPSA-N 432.996 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)CCOC 1286518491 WLQQSXJOGVLMOA-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286620159 GJDGPTXEDOQAMK-PKOBYXMFSA-N 444.942 4.656 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2Cc2nc(C)c(C)s2)CC1 1286663894 LJWOBZQOYJRBSQ-UHFFFAOYSA-N 427.549 4.520 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cccnc1OC1CCCC1 1286729384 RDQQSJXSCCGYOP-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1286833602 IVGFOTBUWIQDIX-AUSIDOKSSA-N 449.624 4.779 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCSC1 1288924656 CCJYUWRATFJYRK-IUKKYPGJSA-N 443.592 4.830 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1292746713 PAEAGNKMZYPLEB-HSZRJFAPSA-N 447.535 4.691 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1295636090 CQYIRSDITKBEPI-IFMALSPDSA-N 435.597 4.966 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C)c(C)s1 1300322634 VCGHUMVEVJAUQJ-MRXNPFEDSA-N 437.613 4.734 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1ccsc1)N(CC)CC 1300431002 CASYSYIDXUHTCJ-HSZRJFAPSA-N 447.652 4.962 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCCCC1 1300873526 HFONNVRLUNPJQA-UWJYYQICSA-N 430.980 4.969 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CC12CCOCC2 1300924782 IJYKKCFKXQGEHU-IBGZPJMESA-N 442.629 4.798 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@@H](C)[C@H]1C 1300973533 ZIWGRFUMDRIETG-MOPGFXCFSA-N 437.613 4.725 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](OC)C(C)C)CC1 1301095771 OKCXNQGJSUPBRZ-QFIPXVFZSA-N 426.605 4.982 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1301214487 APYUGSMCIVTJDF-IBGZPJMESA-N 442.361 4.580 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301214781 HDIDCHKBMRKKJF-DNVCBOLYSA-N 433.478 4.559 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2ccc(Br)cc2c1 1303132537 NUXSGJFGQMQHEM-IBGZPJMESA-N 445.357 4.525 30 10 IJEE CCCc1nc(C)c(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)o1 1306607274 DTHIAYMSMJEOAT-NVXWUHKLSA-N 440.523 4.593 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 1310919147 IHFHYBPIWNKBIY-UHFFFAOYSA-N 433.331 4.823 30 10 IJEE C=C(C)CN1CCC(NC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 1311891256 JRUWKHLGTVUKJY-TXTKFYIRSA-N 441.616 4.792 30 10 IJEE Cn1cc(CNC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 1312478783 AXLGHTAKRZLTRN-UHFFFAOYSA-N 447.848 4.630 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1 1312495042 RAVMZLQOUYTDEP-FQEVSTJZSA-N 435.549 4.583 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccc(Cl)cc1 1312937543 NSZNTWCRGBUQBS-RTBURBONSA-N 433.733 4.560 30 10 IJEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(CC)C2)C1 1314237716 GCOHDYBXQVCKDQ-XBEWDXHHSA-N 437.588 4.560 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 1350955801 WNHOGJUYARHPQG-UHFFFAOYSA-N 430.932 4.942 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@H]2C=CCCC2)ccc1Cl 1355846602 RQLKHTDUPSKAGF-SFHVURJKSA-N 448.947 4.699 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1358918590 ZXPNUHIDMZXTNO-UXHICEINSA-N 429.609 4.780 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1c(C)noc1C 1359003262 FFPBKEVKBMBJFD-CQSZACIVSA-N 442.361 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@H](C)C1 1359064239 OMLGRWPWOVQAOS-XMODTWTHSA-N 442.991 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C1CC1)N(C)C 1359109368 YIVCFJJPBXMYDP-HXUWFJFHSA-N 446.437 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(Cl)s1 1359111518 DVHQKPCPJNHTTN-UHFFFAOYSA-N 440.960 4.760 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1359186149 WIRXAWZRJVJJIM-QHCPKHFHSA-N 446.643 4.844 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)CCCO1 1359197321 LDMRJSKELCMGOU-URXFXBBRSA-N 426.561 4.542 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNC(=O)OC(C)(C)C 1359234514 RELLZDRVQYKZHY-UHFFFAOYSA-N 445.633 4.813 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1CCc1cc(C(F)(F)F)ccn1 1359244795 QVUXYVVJZGWDFJ-UHFFFAOYSA-N 445.489 4.698 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCOc1ncccc1F 1359256441 FVUSFDINUCCWPV-UHFFFAOYSA-N 446.530 4.613 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCC1 1359256539 JFFZBNMTSRWBOU-JOCHJYFZSA-N 435.572 4.543 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CC[C@@H]1COCCO1 1359262586 YNLGQNHJTZZEOT-QGZVFWFLSA-N 444.988 4.658 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1359273736 MALFTEATXPLOIM-OAQYLSRUSA-N 443.636 4.836 30 10 IJEE C=CCn1c(N2CCC[C@@H]2c2ccccc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290553 GLOWPVOPDWHFBN-SVFBPWRDSA-N 437.588 4.885 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)C(F)F)c2)c1 1359863744 UTDIZMUGQKLOBG-UHFFFAOYSA-N 425.456 4.511 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C1CCCCC1)N(C)C 1360478311 IAIHSCJDBMZFEW-YADARESESA-N 447.631 4.599 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 1435244001 JMHAMAICLFQSSH-FIKGOQFSSA-N 444.984 4.640 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1C(=O)NC(C)C 1441693702 VUQMVFDVCXPRTN-KRWDZBQOSA-N 437.968 4.666 30 10 IJEE C=CCc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC 1451924931 SYAIRESQVIIAGB-JOCHJYFZSA-N 437.927 4.597 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1453341637 APNOJTUHSTWMPY-YWZLYKJASA-N 448.972 4.711 30 10 IJEE C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)Nc1c(C#N)nnn1Cc1ccccc1 1461442551 DRALDURWWVEDCN-CQSZACIVSA-N 448.939 4.519 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1463559085 GFDIRLARFUNPNS-UHFFFAOYSA-N 430.751 4.801 30 10 IJEE C=CC1(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)CN(C(=O)OC(C)(C)C)C1 1464006255 XWOVPFARXVHCHP-HXUWFJFHSA-N 430.545 4.906 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 1465783089 SBUADRSQBOSWDH-UHFFFAOYSA-N 439.487 4.775 30 10 IJEE COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C2 1466519700 DAODRNMBIBWLAD-HXUWFJFHSA-N 443.551 4.729 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(Cl)cc1F 1468031457 WTQBYESTFNBZMO-SFTDATJTSA-N 434.342 4.943 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c1 1472267122 DBYDMUOTFAPAEZ-UHFFFAOYSA-N 434.517 4.975 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2cn(-c3ccccc3Br)nc2C)cc1 1474008445 WFZBIAJARXRPTO-UHFFFAOYSA-N 440.345 4.863 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1 1477915545 IDYPCPQQKIUXFJ-UHFFFAOYSA-N 446.503 4.508 30 10 IJEE C=CCC[C@H](NC(=O)N1CCc2ccnc(N(C)C)c2C1)c1ccc(C(F)(F)F)cc1 1478272516 NBYVGHTXHNGLAH-FQEVSTJZSA-N 432.490 4.942 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C(C)C)cs1 1507521654 AQCFGGMNAMHSCE-CQSZACIVSA-N 444.402 4.794 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN1C1CCCCC1 1507525157 FGZNLYSRQVFOSE-QUCCMNQESA-N 426.008 4.854 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(N(CC)CC)CC1 1507559589 RTISEFSPLRRNHS-UHFFFAOYSA-N 432.616 4.551 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(Br)s1 1507578110 WWHLVDADOVFSNL-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1507697906 NXJWKSDHNWWIBY-SIKLNZKXSA-N 429.008 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)C1CCCCC1 1507701940 PVLNJRHLNXOZEM-SANMLTNESA-N 440.607 4.977 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1507827650 ZQURGAGHRVRWBA-QAPCUYQASA-N 431.968 4.524 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCOC[C@H]2C)CC1 1507877498 JDNQTDJJPXIOES-CVEARBPZSA-N 449.368 4.676 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1507930007 XKWOUOHLHNZSOH-PXNSSMCTSA-N 429.996 4.843 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1507954855 QULXNXMYBZJRMG-GOSISDBHSA-N 425.577 4.987 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@](C)(CC)O1 1508002321 DTIDWQGNIQPNRJ-BVAGGSTKSA-N 431.584 4.804 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1508038866 ULNVWFLPJLHGJL-RBBKRZOGSA-N 426.605 4.734 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)c1cc(OC)cc(OC)c1 1508047977 UTFTWEGYAFVWTK-UHFFFAOYSA-N 435.347 4.740 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1508158638 MRPPHXGZQYVHBL-MSOLQXFVSA-N 430.618 4.896 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1508158981 PGGDBGGMVCSTIJ-GOSISDBHSA-N 446.064 4.828 30 10 IJEE COC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CCC#N)CCC(C)C 1517731963 BKWBAGPMLFGMRJ-UHFFFAOYSA-N 434.588 4.993 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(F)cc2Br)CCCN1C(=O)OC(C)(C)C 1517815420 MCDQNLWRKOZJFV-FQEVSTJZSA-N 441.341 4.550 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1519699375 FRTLXKOTTWWMAF-UXHICEINSA-N 439.629 4.887 30 10 IJEE N#Cc1cccc(OCC(=O)NCC2(c3cccc(Br)c3)CCCCC2)c1 1524239110 CWUWTFUUNOLVPV-UHFFFAOYSA-N 427.342 4.718 30 10 IJEE C[C@H](C#N)N(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1526981576 BRRYTOGKTRESSX-MRXNPFEDSA-N 429.911 4.784 30 10 IJEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1526992362 HZAYUIOPYHPIOF-UHFFFAOYSA-N 440.507 4.524 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)cc1OC 1527320011 MLFOTRCXYUEZES-BENRWUELSA-N 446.591 4.788 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CCN(C)C)Cc2cccc(F)c2)s1 1528557971 BQLNOIOSYHMELL-UHFFFAOYSA-N 442.025 4.568 30 10 IJEE C#CCSc1ccc(COC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1 1529136425 UNQJZXBOMXBHPI-UHFFFAOYSA-N 438.574 4.575 30 10 IJEE C=CCCCC(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1529959750 LYMUDIOQBZUYLQ-VGSWGCGISA-N 435.973 4.990 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 1534304578 DATWACVADRZVFR-LJQANCHMSA-N 441.369 4.961 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1 1534344134 ONCGXYUHNGNXBL-XLIONFOSSA-N 427.342 4.626 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1OC 1534887812 IVFKBUBYWHGKRN-IVEQORNPSA-N 444.934 4.803 30 10 IJEE C#C[C@H](C)N(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1538664282 QUKDGRIROLJRBP-KRWDZBQOSA-N 428.923 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1csc(CC)n1 1538982533 FXEPDOOYRQKRSN-GJZGRUSLSA-N 425.627 4.657 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCSC1(C)C 1538984728 OTKXQMXCMPTVOW-QWHCGFSZSA-N 439.448 4.759 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1539081925 HWLDELQYNSGJGT-UHFFFAOYSA-N 444.366 4.999 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOC)CCCC1 1539162445 SCFLEPRUNXYBMK-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(Cc1cccc(F)c1)C(C)C 1539627669 KUBGJYYHAJHKRH-GGAORHGYSA-N 435.547 4.875 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)C1 1539637776 SVCZKGDXCKQLSU-WNOPAQSVSA-N 445.007 4.509 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC#N)CC1 1539759716 WYJGXJHUDUZOEY-UHFFFAOYSA-N 425.602 4.602 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1539787577 PIABUCFLRAXSDQ-FQEVSTJZSA-N 432.996 4.984 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCN2CCCC2)CC1 1539855633 AIYDHTCULOBOCN-UHFFFAOYSA-N 437.632 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@@]1(OCC)CCOC1 1539931218 IPAWSBAHTJUIFO-JWQCQUIFSA-N 428.621 4.859 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN(C(C)=O)C1 1539945626 SEKXVKNJGRSWBJ-FQEVSTJZSA-N 427.568 4.525 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(C)(F)F)cc2)C1 1540888880 AEEJHRUSNVIIGK-FQEVSTJZSA-N 439.510 4.590 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 1542132527 ONBWYLMMXWHIKG-VQIMIIECSA-N 449.979 4.676 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCCC)c(OC)c1 1544133835 GLOXOZMFJCHATC-WBVHZDCISA-N 440.968 4.697 30 10 IJEE CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N(CCC#N)CC1CC1)c1c(F)cccc1F 1552753413 ACYBVDRZANNNKV-FQEVSTJZSA-N 444.574 4.578 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3Cc4c(C)cccc4N3C(=O)OC(C)(C)C)cc21 1558615285 WJUWYARLJHVQKY-JOCHJYFZSA-N 432.524 4.836 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)C1=O 1559306800 IXJHRYDPWSBIMX-LJQANCHMSA-N 431.483 4.982 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N3C[C@@H](C)C[C@@H](C)C3)C(C)C)o2)cc1 1559384178 AKEZRFYSPRQWTG-QKLQHJQFSA-N 429.586 4.923 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1562197257 HIZUARYLQDOROL-RTBURBONSA-N 427.520 4.981 30 10 IJEE COc1ccc(C#N)cc1NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 1562280673 DQMHFSOEHVENJT-UHFFFAOYSA-N 434.721 4.836 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N(Cc2nc3ccccc3s2)C2CC2)cc1C#N 1562528231 BWJWRHQDWLDPMI-UHFFFAOYSA-N 435.509 4.933 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 1566927598 ONDBICBMJUYLGC-KRWDZBQOSA-N 443.922 4.930 30 10 IJEE C#C[C@@H](NC(=O)c1c(Cl)ccc(I)c1F)c1ccc(Cl)cc1 1583548880 CHTYTDFSZJHXOX-CYBMUJFWSA-N 448.062 4.841 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@H](CC)C1 1587711854 IEWUONXTYXHFQR-GOSISDBHSA-N 433.419 4.843 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC2(CCCC2)C1 1587809060 YIMAZRWACQSUOB-SFHVURJKSA-N 428.964 4.634 30 10 IJEE C=C1CCC(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)CC1 1588119458 WTWIDBIMAFWESA-LICLKQGHSA-N 439.364 4.892 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC=C(C(C)(C)C)CC1 1589427648 TYUGFHQORDPPDQ-UHFFFAOYSA-N 436.423 4.725 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC(C)(C)C1 1589516345 ZXLQTFAEFHFQHV-GCJKJVERSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccccc1F 1589560346 ZEUKIUQSXSJUNJ-WWEVIYMKSA-N 435.547 4.582 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N(CC)CC)CC1 1594429824 BOSDCGUYHRUKSV-OAQYLSRUSA-N 425.621 4.607 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@@H]21 1594616507 QNKJXJXYVMWZLB-AQNXPRMDSA-N 429.609 4.738 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1594626203 KJIRUMINFXXTBN-UHFFFAOYSA-N 444.668 4.824 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCSC1(C)C)C1CC1 1595026439 KYPHFOXWBHVVBG-ZDUSSCGKSA-N 436.423 4.722 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CCc1csc(C)n1 1595133041 CACQVVGPXXKKHA-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)cc1 1595613733 HISZLGJFGUPKEN-RUZDIDTESA-N 426.605 4.731 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C)(COC)CC1 1595894857 AEVUKTRRQWGZME-UHFFFAOYSA-N 439.629 4.522 30 10 IJEE CC(C)(Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 1611766951 FEBZVTRLQJFYAL-HYBUGGRVSA-N 425.552 4.767 30 10 IJEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)s1 1612429492 BHOIJRXNCCMKRG-UHFFFAOYSA-N 440.985 4.981 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C)C(C)C)nc2cc(-c3ccccc3)sc2c1=O 1613380189 GPJOAQWXYKKYTL-OAHLLOKOSA-N 427.595 4.658 30 10 IJEE Cc1cc(C(=O)COc2ccc(C#N)c(Cl)c2)c(C)n1C[C@H]1COc2ccccc2O1 1613720569 FPRAFMTVTMKECO-IBGZPJMESA-N 436.895 4.732 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cc1csc(-c2ccc(OCC)cc2)n1)c1ccccc1 1616817559 HBPHMSWRDOVDBM-GDLZYMKVSA-N 426.563 4.991 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1618312994 DHAAGPYHYFZCFP-GHTZIAJQSA-N 440.334 4.545 30 10 IJEE C[C@@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 1625326878 BPHUPDMJEZBUFO-IIBYNOLFSA-N 433.508 4.618 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 1625487075 WXCBHFURGWRUHE-MOPGFXCFSA-N 432.973 4.914 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(NC(=O)OC)c1 1625542055 ATLVDAUMTKGWTA-UHFFFAOYSA-N 434.290 4.514 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1ccccc1 1627434753 CBUXVNXSSAUHPK-YNCULORESA-N 432.586 4.796 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CN(C(=O)OC(C)(C)C)C1 1630023695 LXQYEPDHJPRLIV-UHFFFAOYSA-N 448.413 4.641 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 1633643090 APBPLWARMPLXKM-GBESFXJTSA-N 440.943 4.540 30 10 IJEE C=CC1(CC(=O)N2CCCSC[C@@H]2c2ccccc2OC)CN(C(=O)OC(C)(C)C)C1 1637500688 GIHCQCBWUBMJKC-LJQANCHMSA-N 446.613 4.515 30 10 IJEE CCc1nc(C#N)cc(N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 1642226493 DXSRCDWPPSOAET-QFIPXVFZSA-N 432.572 4.604 30 10 IJEE N#Cc1cc(NC(=O)c2nccnc2-c2nc3ccccc3s2)ccc1Br 1645445995 GGARRLUGQDHWQC-UHFFFAOYSA-N 436.294 4.640 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)CCS1 1649594023 HSSCEWDAQCZLRD-SFTDATJTSA-N 439.629 4.744 30 10 IJEE C=CCN1CC[C@H](Sc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(Cl)c2)C1=O 1652451915 YLOPSXWMEQTJBR-SFHVURJKSA-N 446.359 4.572 30 10 IJEE C#CCN(C(=O)c1cc(O)nc2c(Br)cccc12)[C@H]1CCCc2ccccc21 1652652946 DKCSYZAKLNSVSQ-FQEVSTJZSA-N 435.321 4.856 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 1653289307 FBHWTUGPNBLUGY-AWEZNQCLSA-N 439.756 4.935 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 1654542941 GTAKYLPLAPUQIT-UHFFFAOYSA-N 446.551 4.609 30 10 IJEE C=CCn1c(SCCOc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1655969694 DFFDGIQANIBJGG-HNNXBMFYSA-N 437.590 4.812 30 10 IJEE C=CCOc1cccc(CNc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c1 1657807136 LOPSLMFVSAQNGB-UHFFFAOYSA-N 428.488 4.539 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CNC(C)(C)C3CCOCC3)c2C#N)C1 1658445568 AAYNDFCMEYQIDK-QGZVFWFLSA-N 431.646 4.894 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C)c(Br)cc1C 1664429880 AHMLRCCDJUUIOS-HXUWFJFHSA-N 432.383 4.767 30 10 IJEE C#Cc1cccc(CNC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c1 1668932024 QTVDSGIIGHFIRB-UHFFFAOYSA-N 425.410 4.873 30 10 IJEE O=C(N[C@H]1COc2cc(F)ccc2C1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1669035527 DOALEVPZXMSSBN-MLGOLLRUSA-N 436.327 4.751 30 10 IJEE COc1cccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2)c1 1676876051 GUWSCFGSELYGID-YADARESESA-N 440.547 4.873 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 1681598026 MAMNGPFXRZRACP-UHFFFAOYSA-N 442.003 4.632 30 10 IJEE C=CCCSCCNC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 1682529264 RRPQGFVJYLVDMF-UHFFFAOYSA-N 433.618 4.691 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1682828014 NOUYTMQQFVEWFB-RDTXWAMCSA-N 425.932 4.536 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccncc1Cl 1690198175 GCVQJFXQBJVJQW-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C(C)(C)C)no1 1690208050 WIRMLDNMNLWFEJ-XMMPIXPASA-N 437.975 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1690266964 PBZFTJOUZHGEDR-OALUTQOASA-N 433.641 4.943 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2OCCC2(C)C)CC1 1690368814 MZFYYTDGDDBAGS-JOCHJYFZSA-N 440.588 4.712 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 1690445041 QOZRRDCQEFMTME-XMMPIXPASA-N 444.627 4.786 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC(C)(C)C1 1690481318 ALZGQMFISVAGCO-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C)CC1 1690499790 AEYMHGHCWOZWPG-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1CCO[C@H](C)C1 1690519854 AAVMBSMLPAUMTL-CABCVRRESA-N 437.357 4.674 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1690682100 DLCONHSYSCQQIX-XZOQPEGZSA-N 449.599 4.537 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCCOC(C)C 1705480687 VAXYDSLCGWBPMU-OAHLLOKOSA-N 437.357 4.510 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1705685727 HYFFBULYZPTETO-HXUWFJFHSA-N 444.421 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)OC1CCCC1 1705698787 YRTDZCBBRDQIPS-SVMVAKDDSA-N 444.551 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1705714860 JNBYXYDVYLPSPR-DEOSSOPVSA-N 446.599 4.588 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1705732722 APBQIPXXPPCDJB-UHFFFAOYSA-N 448.995 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccsc2Br)CC1 1705764847 PCVNUDAHCGDATG-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](CC(C)C)N(C)C)CC1 1705765825 BZALTGJEHLBLJL-GOSISDBHSA-N 446.437 4.840 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)SC)CC1 1705781969 LPDORMHGWRFRHK-MJGOQNOKSA-N 449.665 4.547 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705785683 RYSZIHIPEYXIPL-LNRXMEIDSA-N 430.637 4.660 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705801600 KQYCNAKUIFOKKW-UFRUDQCGSA-N 432.515 4.500 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1CC1CCOCC1 1705858174 QYPCIGUPWBFAQO-UHFFFAOYSA-N 438.597 4.558 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1(O)CCCCCC1 1705864768 MKUGORREZKDYDS-OAQYLSRUSA-N 428.552 4.547 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705887494 KMIQILVOIDPNJY-IRXDYDNUSA-N 425.577 4.918 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCC(C(C)C)CC1 1705913480 PAARBCVNPTVIAF-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C(C)C 1706447695 DAZUNRMFAVVNFH-DHLKQENFSA-N 439.604 4.541 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@@H](C)CC#N)n3CCN(C)C3CCCC3)cc2C1 1708023185 FNCSMCOWRYISPQ-ROUUACIJSA-N 440.661 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@@H](C)N1CCCCC1 1722279378 OTLRMWYMJCDPKJ-LEWJYISDSA-N 430.600 4.524 30 10 IJEE C#CCCCCn1c(N2CCO[C@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C 1722323622 VQFSWUDQIVGNFW-IBGZPJMESA-N 445.405 4.720 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(C)C)C1 1722452376 TXLZWGLYIMZSJI-RBUKOAKNSA-N 430.593 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Cl)s1 1722510340 QXHMTYBOEURJBA-UWJYYQICSA-N 444.004 4.596 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C 1722533500 UTQGVUKLPHVBKT-UHFFFAOYSA-N 431.993 4.516 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1722550062 FKVUFAQHHSLBHH-UHFFFAOYSA-N 438.963 4.535 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2cnc(C)s2)CC1 1722562729 JQTJRLWQDPXUBW-UHFFFAOYSA-N 448.365 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnc(C(C)C)nc1 1722587467 PSFZNOLCPZDKBQ-UHFFFAOYSA-N 448.571 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccccc2)C1 1722589696 VJPUTXKSNKECIB-HXUWFJFHSA-N 449.624 4.866 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1722606413 OEPSFABDQIWTAO-FQEVSTJZSA-N 438.334 4.962 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1cnn(CC(C)C)c1C 1722657799 OQEXGJLDPLCFJN-UHFFFAOYSA-N 429.572 4.675 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CC(F)(F)F)CC(C)(C)C1 1726666181 GYZAMZANVUWGCR-QGZVFWFLSA-N 448.537 4.573 30 10 IJEE COCC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CCC1 1730510792 GIAVPQZQOHGBKZ-GOSISDBHSA-N 441.551 4.504 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn(CCCCC)nc1C 1740552302 PMZWAZDIOVKOSE-SFHVURJKSA-N 439.007 4.724 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1occc1C 1740679485 AFZQQUGOKSZBFU-UHFFFAOYSA-N 440.956 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(Cl)ccn1 1740753320 IETGGWWTJFQRJR-JXFKEZNVSA-N 427.936 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(Cc1ccc(F)cc1)C(C)C 1740764967 MQMREJNCPKDKGW-CEMLEFRQSA-N 428.552 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1C 1740765659 BLXRJDRKFWMDAH-FGSXEWAUSA-N 428.602 4.549 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)cc2C)CC1 1740837299 TZCJLBJHSCIMOR-UHFFFAOYSA-N 436.991 4.819 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@H]2C1 1740868049 CFKOICFPHCTIKZ-ICSRJNTNSA-N 429.996 4.712 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC=CCC1 1740919271 AHSQATAFAQUGNN-NBGIEHNGSA-N 440.563 4.618 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1740924596 WZKWHRLAKBIXQC-QHCPKHFHSA-N 445.702 4.702 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1)C(C)C 1740924602 XBWWGRBHHRZPDK-GMAHTHKFSA-N 448.615 4.810 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)[C@H](C)CC 1740925135 KCPVBBQISHODTJ-IERDGZPVSA-N 433.394 4.683 30 10 IJEE C[C@H]1CCC[C@@](Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)(N(C)C)C1 1743015770 BDVCVMBOETWFPP-RXFWQSSRSA-N 434.632 4.954 30 10 IJEE CCCOc1ncccc1Cn1c(C(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1745824665 GWGMVYZRFSNYIP-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)c1nc(C)cs1 1748667042 MBLZMHSOXCWYLM-DOTOQJQBSA-N 432.553 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCCn1ccnc1C 1748686343 NLRFUOVRAMWEOJ-HXUWFJFHSA-N 448.615 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ncc(CC)s1 1749132694 CDBZCNHSQZXOJK-UWJYYQICSA-N 443.642 4.567 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2C)C1 1749174964 JNIIQOVCMWJANT-INIZCTEOSA-N 426.362 4.914 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@]2(CCSC2)C1 1749203577 CGMWHNYXCKCWOZ-FQEVSTJZSA-N 449.418 4.529 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCSC2(CCCCC2)C1 1749231502 SRKHUIBNOBJUDQ-UHFFFAOYSA-N 444.620 4.857 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2nccnc2C)CC1 1749292044 NTPFGFSDARUBQT-SFHVURJKSA-N 438.963 4.569 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCCC1 1749430528 PZNZNQCXQMHXLO-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@H](C)C1 1749537738 MWZZNYZCKLYYAV-CTNGQTDRSA-N 449.624 4.898 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1Cc1ccc(-c2ccsc2)nc1 1749576804 WQJZXHNDRXKPRJ-UHFFFAOYSA-N 428.565 4.614 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC(F)(F)F 1760134062 YPTQGGPIXJRZKX-UHFFFAOYSA-N 445.283 4.518 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(C)(C)C(F)(F)F 1760176717 RWQCZAIIIJGSPA-UHFFFAOYSA-N 442.913 4.909 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CSCCS2)CC1 1760397249 PHGYOXWBYTYHAJ-SJLPKXTDSA-N 448.633 4.808 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ncnn2C(C)(C)C)CC1 1760397367 RLUZSUJUYMENCW-OAQYLSRUSA-N 433.604 4.617 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1760400513 DJFFEZLVQUSMBC-UHFFFAOYSA-N 443.473 4.998 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1760404511 CIZUNFDJKPTWNE-MJGOQNOKSA-N 430.980 4.728 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1c1ccco1 1760432419 LPIQFTRKQUDYDM-GOSISDBHSA-N 438.528 4.872 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C)(C#N)CC1 1760446825 DEWMGAFJCUGZNL-NRFANRHFSA-N 437.588 4.758 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1760470197 XNKPILNIDWPCLW-OYRHEFFESA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1ccc(Cl)cc1 1760486105 CUFFFRVPPOXHCZ-UHFFFAOYSA-N 438.988 4.829 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@H]1C 1760487172 LEHZOFFGGQABLX-QUCCMNQESA-N 440.588 4.935 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](OC)C(C)(C)C 1769867986 DQUYYNDZLHHJBH-HXUWFJFHSA-N 445.995 4.798 30 10 IJEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@@H]1Cc1ccc(Br)cc1 1772724785 PFGUIPWLZVPPFV-LJQANCHMSA-N 438.350 4.767 30 10 IJEE N#Cc1c(NC(=O)COc2ccc(NC(=O)c3cccs3)cc2)sc2c1CCCC2 1860139896 MIRRTVVSNCCDMK-UHFFFAOYSA-N 437.546 4.830 30 10 IJEE CCCCCCOc1ccc(NC(=O)C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 1860724806 UKXVVJVPHVUSGP-NTEUORMPSA-N 441.524 4.893 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(F)c2)cc1C 1862401646 GATRWYNFHKEBCA-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCN(C)C)cc1 1862432349 BZZSVTCBUMVXJY-QFIPXVFZSA-N 440.971 4.993 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(Br)c2)c1 1862496113 BWUNYNZSDHNUCW-LJQANCHMSA-N 426.310 4.807 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862534958 VQZSMPZPYMNTDT-HSZRJFAPSA-N 432.520 4.735 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2Cl)cc1 1862561951 ZXFDNEMSIAALRX-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862605170 NJMYPUVFARSOES-WPSZSDGUSA-N 447.531 4.923 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2F)c1 1862625969 RBRXFRABENFIPE-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1ccccc1 1862626267 ZKVLQMKRNLHVRF-QHCPKHFHSA-N 427.456 4.502 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(N(C)C)cc2)c1 1862701630 JSZRJLYFPNVZSF-VXWZWFMZSA-N 448.563 4.918 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)c1 1862715336 MCZJKHYCEUPGOJ-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862744708 SFZDZJHEYFOHNK-KRWDZBQOSA-N 434.370 4.600 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)c1 1863092978 RTLCNWNFBYJGNK-UHFFFAOYSA-N 439.446 4.605 30 10 IJEE CN(C)c1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863131293 GEZTYSLWHARZKX-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc[nH]1 1864915780 KESRZOYILGKDFG-NRFANRHFSA-N 441.620 4.881 30 10 IJEE CC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866973679 LXHVULMQMGDZAC-VQTJNVASSA-N 442.357 4.594 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3ccccc3Cl)n2)C1 1870018270 BFBMTPGZTUTAPH-HZPDHXFCSA-N 434.931 4.527 30 10 IJEE CCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 1871385805 NKQVOAQPXXFDLV-WQRHYEAKSA-N 426.465 4.733 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)s1 1871425001 CVSKGKICSGXWIZ-UEXNTNOUSA-N 435.505 4.513 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)c4ccc(NC(C)=O)cc4)ccc3C2=O)c1 1871432493 HWCFYBYTQXYMNJ-MXAYSNPKSA-N 443.455 4.532 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3cc(OCC(=O)NC4CCCCC4)ccc3C2=O)cc1 1871438247 RTOPGWJNPNUSDW-XYGWBWBKSA-N 448.563 4.977 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC[C@@H]3CCCO3)cc(C)c2C1=O 1871449909 CIKXBBWSGSXPLX-OBLBUWMUSA-N 445.309 4.940 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871452898 VNHJENZNOBFMLG-JJFYIABZSA-N 435.863 4.982 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(C)C)S(=O)(=O)c1cccs1 1871807236 OVEMWZSJLXZHHP-KRWDZBQOSA-N 446.516 4.607 30 10 IJEE N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(Cl)c2)cs1 1872767055 RYJQGAVLFZQEHG-HKUYNNGSSA-N 435.936 4.688 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c1 1872771115 MLUDKKJCQVZZBC-IWHGQQBYSA-N 435.461 4.625 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1[N+](=O)[O-] 1872777404 MWRRGEFURAKLCZ-CQSZACIVSA-N 447.432 4.906 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2cc(F)c(F)cc2F)C1=O 1873239375 MWAQVQYNTWNWLJ-UHFFFAOYSA-N 430.426 4.517 30 10 IJEE CCCCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873243478 FCYZRBLJXWFHST-UHFFFAOYSA-N 427.426 4.748 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccccc1OCCC 1874291223 OEDCCTALPHTVAO-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCCO)n1/N=C/c1ccc(C(C)C)cc1 1874301355 TYOACYYXELZFSZ-MFKUBSTISA-N 438.597 4.954 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccn2C)cc1 1874348052 STRNXXPHRFNZHX-PCLIKHOPSA-N 431.565 4.699 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1F)Nc1ccccc1 1874420665 XSJDOGRJTMEUER-YDZHTSKRSA-N 437.525 4.759 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccco2)cc1 1874421895 JXAOEUFGUUQFBM-LPYMAVHISA-N 437.550 4.775 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccn2)c1 1874421994 OOYNCBVCAFSKRK-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(F)cc1 1874475208 OVGKETWQMFODOO-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3F)nnc2C2CCC2)c1 1874495929 MAQGEHFGGWBVQJ-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCCc2ccccc2)nnc1C(C)C 1874513499 BDPYPARVKSYNRB-BUVRLJJBSA-N 440.569 4.644 30 10 IJEE Oc1ccc(Br)cc1/C=N/n1c(S)nnc1CC12CC3CC(CC(C3)C1)C2 1874567144 HWQLUEVYNJTPEL-SSDVNMTOSA-N 447.402 4.676 30 10 IJEE COc1cc(C(=O)/C=C/c2cc(Cl)c(OCCCO)c(OC)c2)c(OC)cc1Cl 1874630092 KBZKREFIWIIDPL-AATRIKPKSA-N 441.307 4.677 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1 1874657853 TXZURZUQPZEEPQ-XMMPIXPASA-N 434.584 4.657 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)cc3)c2)c(OC)c1 1874714085 CTBNHLXADNSYPH-OVCLIPMQSA-N 431.488 4.885 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1892137142 VIKXQGHHDXJACU-NHCUHLMSSA-N 427.957 4.552 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)NCC 1984704841 XNCQULVBVKUXPQ-RTBURBONSA-N 430.511 4.831 30 10 IJEE C=CC1(C[C@H](NC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 2002630349 MPAMRQFDCFOBIC-QFIPXVFZSA-N 427.633 4.880 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NC 2028859904 OALXMAISINKEEP-CVEARBPZSA-N 429.786 4.540 30 10 IJEE N#CCCc1ccc(S(=O)(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)cc1 2034564014 IMVCUKPSMUXJNC-UHFFFAOYSA-N 447.604 4.514 30 10 IJEE CN(CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1)Cc1ccccc1 2034818805 RNTFGFPQPWIHGA-UHFFFAOYSA-N 426.564 4.521 30 10 IJEE Cc1cccc(OC[C@@H]2CN(Cc3ccc(C#N)cc3)[C@H]3c4cc(F)ccc4OC[C@@H]23)n1 2069483837 XDHDRUWGAUDMRF-CHZKFRDHSA-N 429.495 4.662 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1F 2079002558 LBDYUAQDPYHAPH-ZDUSSCGKSA-N 449.189 4.825 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)c(C)c1 2079027095 NSYGWDQNNNZFQN-FWOHHPOZSA-N 435.309 4.789 30 10 IJEE CC[C@@H](C)[C@H]1CSC(=Nc2ccc(I)cc2Br)N1 2081320263 WMIFHTOGRVSSME-PRHODGIISA-N 439.160 4.792 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(Br)cc1F 2102880063 KTESSTUDOHLXQL-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2116076404 DQVMPUPJHHWHBM-FGZHOGPDSA-N 436.405 4.509 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)Cc2sc(Br)cc2C)C1 2126627213 IOIYGTYMLNUVIZ-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE O=[N+]([O-])c1cc(Br)c(OC[C@@H](CS)CC2CC2)c(Br)c1 2169175487 ZLUIPWHLNXDOJX-VIFPVBQESA-N 425.142 4.845 30 10 IJEE CC[C@H]1CCN(c2cc(Br)cc(F)c2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2174813935 BLUFOVHRQLYJNW-ZFWWWQNUSA-N 440.357 4.980 30 10 IJEE CCCc1ccc(C#C[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223330210 SVFIGTYAPIOVHP-KSNOWIBYSA-N 437.580 4.850 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400714 QBDBXGLHBAIXMH-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@H](O)C#Cc1cccc(Br)c1)Cc1ccccc1 2242572689 ZWNCNCNAIDIXLH-OAQYLSRUSA-N 444.369 4.989 30 10 IJEE C=C(COCc1ccccc1)[C@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)OCCC(=O)O 2252003044 ICKUIOABLJUHSZ-FQEVSTJZSA-N 435.561 4.655 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)s1 2278820379 RRQGDPVHEFMTDO-QGZVFWFLSA-N 435.387 4.848 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2285828588 JXVRYZMOJWKBSD-WGBREUIYSA-N 434.378 4.990 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2cccc(Br)c2)c2ccccc21 2296217061 QEPBCGJFCQOCET-RBUKOAKNSA-N 427.342 4.667 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)C#Cc3cccc(Br)c3)CCCC[C@@H]12 2296224204 HWGWZAGSGVHLRG-GCJKJVERSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@H](O)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296224488 KTXRYQYDWCEUHD-XMSQKQJNSA-N 436.390 4.835 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2cccc(F)c2)C1=C(O)C=Cc1ccccc1 2296932915 VUAKDQORFMJGKF-HSZRJFAPSA-N 443.430 4.706 30 10 IJEE CCCCOc1c(Br)cc(C=C2C(=O)ON=C2c2ccccc2)cc1OC 2297316202 IKRFBWPYOZMNOX-UHFFFAOYSA-N 430.298 4.981 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CCCCC1 2302429474 VGNFFXGINYILTK-MSOLQXFVSA-N 437.581 4.522 30 10 IJEE O=C1Nc2ccc(F)cc2C1=C1SC(=Nc2nccs2)N(C2CCCCC2)C1=O 2314542575 MHGHWNANMCWRPP-UHFFFAOYSA-N 428.514 4.541 30 10 IJEE Cc1nc(Sc2cc(I)ccc2Br)ccc1C#N 2316381852 ITKUGIFUIATDPO-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE C[C@@H](CCCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317349895 KPJQCUDDIXCBTP-KRWDZBQOSA-N 432.370 4.798 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)cc1OC 2318571348 IHYMUJGCPZSACC-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cc(Cl)cc4c1OCOC4)C3=O)CN(C(C)C)CO2 2322353541 XPCUPWWIBZLORN-UHFFFAOYSA-N 427.884 4.691 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2322799267 MSWQYHSXCLIAAT-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OCCCO 2323434219 IPLJORFYVFUCAO-UHFFFAOYSA-N 445.353 4.994 30 10 IJEE CSc1nnc(COc2ccccc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2323589234 CUPMODOAYSHUNN-UHFFFAOYSA-N 444.516 4.680 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2324983517 HTTZWTIDKJLIFE-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCn1cc(C=C2Oc3cc(OCCC(=O)OC)cc(C)c3C2=O)c2cc(OC)ccc21 2325406105 XZHMURXIQBRVSM-UHFFFAOYSA-N 435.476 4.536 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2325628252 WOGPRNJTHHTTDY-INIZCTEOSA-N 444.443 4.925 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccccc1[N+](=O)[O-] 2326846337 VWTLBSQIEMTMMI-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1N=Cc1cc(Br)ccc1F 2328545450 UXLZIBQLXWRUST-UHFFFAOYSA-N 449.349 4.980 30 10 IJEE OCCCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Cl)c(Cl)c1 2329772897 SNKLYDPPBOBNGU-UHFFFAOYSA-N 439.343 4.672 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccnc2)c(C)c1 2330705547 KTIKPWWKIMXUDQ-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)c(C)c1C 2331612689 MQPUVZHPNVPKCM-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(C)C)cc1 2331673868 VKENADCIRJUFQD-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CC[C@@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511754 GVAQHQSWPUMNRS-NIJXNBFTSA-N 434.433 4.547 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339601576 YPUWVVZMFSBVCJ-DEOSSOPVSA-N 444.381 4.895 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(C)cc(Br)c1OC 2339687541 XDGSKVDPQQSVRF-IRXDYDNUSA-N 427.383 4.886 30 10 IJEE Cc1sc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c(C)c1Br 2342484097 ZMPATDDGAKDPBL-GOSISDBHSA-N 428.201 4.826 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342484563 CZJBQQJVHOHRRI-HSZRJFAPSA-N 448.344 4.871 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C[C@@H]2C(=O)C#Cc2ccc(Br)cc2)C1 2360196342 OUWHKJZWKJLUSE-LMMKCTJWSA-N 432.358 4.653 30 10 IJEE CC#CCCCC[C@@H](OCC(=O)O)c1sc(Cl)cc1I 2366721639 KGXKXTVCSAEIIH-LLVKDONJSA-N 426.703 4.732 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Oc2ncc(C#N)cc2[N+](=O)[O-])ccc1Br 2370353183 MMHYZQAOSAAZCA-UHFFFAOYSA-N 435.234 4.763 30 10 IJEE C=C(C)CN1C(=O)COc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc21 12081353 YCPJWKZWEYLBIF-CYBMUJFWSA-N 435.307 4.701 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(F)cc2)NCc2ccc(Cl)cc2)n1 14156738 IXSGCYPOKDZNQW-UHFFFAOYSA-N 442.951 4.841 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 21220848 OMIQNTOFRRIBLQ-RDJZCZTQSA-N 440.883 4.651 30 10 IJEE COc1cc([C@H]2c3sc(O)nc3SC[C@@H]2C=O)ccc1OCc1cccc(C)c1 35531318 RTXUUVKRPWZDCW-QFBILLFUSA-N 427.547 4.797 30 10 IJEE C=CCN(C(=O)c1ccc(Cl)cc1)[C@@H](C)C(=O)c1c(C)c(C(=O)OCC)n(CC)c1C 36005015 CRGBJKQLYVBPEY-KRWDZBQOSA-N 444.959 4.855 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)cc1 41503851 WEJVYCKKGOSTNS-UCQKPKSFSA-N 430.456 4.985 30 10 IJEE O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCCCO3)n1ncnc1N2 72460252 ODZLFAMMXUOPNE-WAIKUNEKSA-N 448.910 4.509 30 10 IJEE COc1ccccc1[C@H](C#N)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 78454782 HJOKXACTEKCTKR-SFHVURJKSA-N 438.281 4.640 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 102900186 NPOASZLNGVPQFF-LCPUNJGISA-N 449.532 4.605 30 10 IJEE Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H](C#N)c3ccc(F)cc3F)c12 111220198 MGFOLNSIMPOOIE-LJQANCHMSA-N 425.483 4.891 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccncc3)nc2c1 170027305 XVQNIZRUJQKUBY-HXUWFJFHSA-N 444.878 4.703 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(C)c2)c1 170140930 MOENIBNHHRVQEB-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(C)c1 170144849 WDRLYTMXBGOVAG-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@H]3c3ccncc3)ccc2O1 170203885 IXCXFXAHLSHDSF-FPTDNZKUSA-N 446.890 4.841 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1 170237532 GOBYXGOISURQTG-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1)c1cccc2ccccc12 170260633 MUPVSBBNKOBUKY-HSZRJFAPSA-N 425.440 4.917 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)cc1C 170296194 AZMNQELQSSYOQL-QFIPXVFZSA-N 435.451 4.904 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC(C)=O)cc1 170320197 ATANPTSYWUVNTA-FQEVSTJZSA-N 427.884 4.644 30 10 IJEE CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 170536755 LMAJSFGFSKNCLH-KRWDZBQOSA-N 425.492 4.822 30 10 IJEE Cc1nc(NN=Cc2ccc(OC(=O)c3cccnc3)cc2)c2c3c(sc2n1)CCCC3 254596286 SQYDQLAWGBHXEZ-UHFFFAOYSA-N 443.532 4.939 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)cc(Br)c2OCC)CC1 261436575 GWJPCSOCXSWXKC-UHFFFAOYSA-N 430.774 4.663 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H]1CCOc2c(Br)cccc21 409859009 LRSMTYNHQKIUQJ-KDOFPFPSSA-N 435.387 4.527 30 10 IJEE C=CCc1cc(-c2nc(CC(=O)Nc3c(CC)cccc3CC)no2)cc(OC)c1OC 445323883 XDIXIFXAQZZHIP-UHFFFAOYSA-N 435.524 4.788 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 464044775 BUFPRDNRZJFMJR-UHFFFAOYSA-N 444.235 4.716 30 10 IJEE N#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1F 464649467 JVLCUOGXMWNZNI-UHFFFAOYSA-N 425.489 4.785 30 10 IJEE C=C(C)C[C@H](C)C(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 466836126 DTENPNLJTNKAIS-HOTGVXAUSA-N 436.478 4.563 30 10 IJEE C=CCn1c(SCc2nc(O)c3c(-c4ccco4)csc3n2)nnc1-c1ccccn1 488927625 DTTKEZQALUIZLB-UHFFFAOYSA-N 448.533 4.789 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 500772309 MMHLJJGYLYVENW-IBGZPJMESA-N 445.523 4.638 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 504442714 NWKWVOBVZPOFHT-UHFFFAOYSA-N 443.478 4.972 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 508508152 VQPZBHJFPFBNRR-YLJYHZDGSA-N 431.506 4.603 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)Cc1nc([C@H](C)OCC(C)C)no1 516162931 KNBZJJCMDHIXHE-KRWDZBQOSA-N 442.539 4.722 30 10 IJEE C[C@H](NC(=O)N1CCCN(Cc2cscn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 542084867 GWSUBEJISRMMRF-IBGZPJMESA-N 445.592 4.660 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 549253544 ZVMXRXLLAXMJKU-KRWDZBQOSA-N 449.521 4.673 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1Cl 581445408 AMJIWPMVDMJIDU-XPNTWCBSSA-N 447.897 4.745 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCN[C@H](C(=O)/C=C/c3ccc(C(C)C)cc3)C2)cc1 585835500 SLRDAOHAGCXSBU-ZPBDRUHYSA-N 446.591 4.601 30 10 IJEE N#Cc1cc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)nc2ccc([N+](=O)[O-])cc12 610278437 FTGKLSCGSGQNBV-OAHLLOKOSA-N 427.386 4.724 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCCC[C@H]3c3ccc(F)cc3)cn2)cc1 615360083 XQQJEQBSTPOIOS-QFIPXVFZSA-N 444.466 4.577 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(CC)c1 733202530 SHZIDFIEDUXSSY-FQEVSTJZSA-N 441.503 4.511 30 10 IJEE Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2oc3ccccc3c2C)cc1 734296629 SGWUESRFPIVIHD-QFIPXVFZSA-N 447.560 4.850 30 10 IJEE COCCn1ncc2ccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc21 740443227 BTSGZWQJXWXIHM-UHFFFAOYSA-N 431.521 4.605 30 10 IJEE COc1ccc(CNC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)cc1C#N 746858682 KIUOSNITPZYZQH-CQSZACIVSA-N 441.940 4.813 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 763638330 QWVBZQLGDKZIGB-SFHVURJKSA-N 439.531 4.756 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 766371230 RKPQNIRYXGHSKT-WIYYLYMNSA-N 444.572 4.512 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)Cc1ccccc1 767980328 HUPNRLXWIAFVIK-XMMPIXPASA-N 445.563 4.700 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)N1CCO[C@H](C(F)F)C1 801633432 UBJBNTPIWZXVLW-JTQLQIEISA-N 438.340 4.858 30 10 IJEE C#CCOc1ccccc1-c1noc([C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)n1 809396208 YIBNPLNGDKYMPW-URXFXBBRSA-N 440.503 4.796 30 10 IJEE C=CCN(C(=O)C1[C@H]2CCCCCC[C@H]12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124608889 SEXTZCYBUSGPIT-OALUTQOASA-N 444.622 4.949 30 10 IJEE C=CCn1c(SCC(=O)OCc2ccc(C)c(OC)c2)nnc1-c1ccc(Cl)cc1 1126421956 GIGJDINKZYQCNQ-UHFFFAOYSA-N 443.956 4.937 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2c(Br)cc(F)cc2Br)c1 1127397808 FZWALWBZTIBTER-UHFFFAOYSA-N 441.098 4.541 30 10 IJEE COc1cc(C#N)ccc1NC(=O)CCc1cc(C(F)(F)F)ccc1Br 1127878819 CFARWPWQZKQJRU-UHFFFAOYSA-N 427.220 4.919 30 10 IJEE C=CCCCCCCNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1128747790 BTJJTHNUZPASIE-LJQANCHMSA-N 432.561 4.623 30 10 IJEE C#CCN(CC(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C)C(=O)OC(C)(C)C 1137488215 XSBYYMMBZYUCAC-QGZVFWFLSA-N 427.570 4.508 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 1142881074 TZNLWTSEFLKUDK-LJQANCHMSA-N 443.931 4.559 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(Cl)c3ccccc3n2)CC1 1161256011 GDRGJWFSFFLCFI-NRFANRHFSA-N 425.319 4.564 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1ncc(Br)cc1F 1162038305 VNVPYEFMTKBXAO-UHFFFAOYSA-N 439.285 4.630 30 10 IJEE N#Cc1c(NC(=O)CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)sc2c1CCCCC2 1168295100 HLLWOVQYBOWTHV-GOSISDBHSA-N 439.556 4.704 30 10 IJEE C#Cc1ccc(CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)cc1 1184438047 FPGUDAHWEDXNOL-UHFFFAOYSA-N 432.564 4.832 30 10 IJEE Cc1cccc([C@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)n1 1191529482 DQXMYULGHOJIHJ-HSZRJFAPSA-N 431.515 4.584 30 10 IJEE C[C@H]1[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1Cc1ccccc1 1198015868 AUIWIKVQTQWDLE-MBSDFSHPSA-N 427.508 4.530 30 10 IJEE CCOC(=O)c1cn(CC)nc1NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1210466391 HRAKTOREUKPVSS-INIZCTEOSA-N 431.496 4.501 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1221906408 DZMWORJOOXCYJI-JOCHJYFZSA-N 442.966 4.937 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 1224522145 KBAYBYNMLAROKH-RBUKOAKNSA-N 431.458 4.817 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 1227538145 GZPWELILECSGSK-PZBISTMVSA-N 442.332 4.925 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(Cc3csc([C@H](C)OCC)n3)CC2)CCCC1 1230918375 JVVOCJHYYXCLDF-IBGZPJMESA-N 434.650 4.594 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 1251418054 UFUHGKKDKFMWQL-UHFFFAOYSA-N 443.485 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nnc(C)s1 1286567763 XHMYLWFTUJCQKO-UHFFFAOYSA-N 428.631 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286665907 ABGBKJOYBRTWFY-HXUWFJFHSA-N 445.571 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CC(F)C1 1286668385 QODUSCHLEUVYKP-UHFFFAOYSA-N 438.389 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@](F)(C#N)C1 1286668896 XAQJWYXIAMXJBY-SFHVURJKSA-N 438.370 4.813 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286687882 STYUSPLGLOOFPT-LJQANCHMSA-N 447.461 4.724 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C[C@H]1CCCO1 1286693897 FOZDOXVQJRLTTD-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCC2(C)C)C1 1286806918 YUIVRZZXSXPNOP-PMACEKPBSA-N 440.588 4.570 30 10 IJEE Cc1nc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H](C)C#N)sc1C 1289148313 HINMGGJWNZQQPJ-ZFWWWQNUSA-N 444.992 4.789 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN(CC(C)C)C2)cc1 1292484422 HGHJNDDUFZXBJC-HSZRJFAPSA-N 434.632 4.615 30 10 IJEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)SC)C[C@@H]1C 1295974997 AJXWPQJXRIMOMZ-OALUTQOASA-N 440.661 4.657 30 10 IJEE COc1ccc(Br)cc1C(=O)CCC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1299758105 COKJHRQCRSFHBB-AWEZNQCLSA-N 429.314 4.512 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1OC 1300856359 BYLPSUOVCNFSET-UHFFFAOYSA-N 433.394 4.607 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1301043971 FXGCTKZEYCEQKZ-UHFFFAOYSA-N 440.032 4.703 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1301120109 HQQBSJUORYWPKY-RPWUZVMVSA-N 437.632 4.787 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1301135017 RBGPOTJLYZDNCI-RCZVLFRGSA-N 436.600 4.803 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(F)CCC2)CC1 1301135085 GQZBDAKRLAJAQV-KDURUIRLSA-N 447.599 4.734 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 1301239718 RWWKXTPBSZIRSG-SFHVURJKSA-N 425.602 4.988 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(C(C)(C)C)CC1 1301240904 HPOJZSCDLDZTQH-UHFFFAOYSA-N 448.409 4.811 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H]1C(C)C 1301347075 NZOIFHHNLLFFHU-VWNXMTODSA-N 431.584 4.902 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(C)(F)F)cc1 1301394610 PTVIATGNKTXQFE-UHFFFAOYSA-N 429.540 4.972 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C2CCCC2)CC1 1301467569 ZSWYAXSUAIHJNJ-UHFFFAOYSA-N 444.023 4.502 30 10 IJEE CC(C)(Cn1c([C@H]2CCCCO2)nnc1N(CCC#N)CC1CC1)c1ccccc1F 1302337931 BXRRRMLIOKXPJJ-OAQYLSRUSA-N 425.552 4.767 30 10 IJEE CC(C)c1cccc(-n2cc(O)c(C(=O)Nc3ccc(Br)c(C#N)c3)n2)c1 1304094576 DWLUACKNAPZQEW-UHFFFAOYSA-N 425.286 4.588 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 1312582807 RTMYWIDSRMQOLK-GOSISDBHSA-N 435.293 4.741 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccc(Br)cc2)CC1)c1ccc(Cl)cc1F 1312944367 VFEXDOPNACJFEH-SFHVURJKSA-N 435.724 4.947 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)CC(C)(C)O3)c(C(=O)OCC)c1C 1352793645 SGTIRXJBYYTJSE-UHFFFAOYSA-N 443.521 4.542 30 10 IJEE C=C(C)Cn1c(C2CCCCC2)nnc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 1356071960 KRSIXUICXSYBAR-OAQYLSRUSA-N 425.621 4.521 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCc2sccc2C1 1358879628 VLXALHICVDIGTO-IBGZPJMESA-N 447.652 4.820 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1358923190 FKCDKKGTGXGUME-GASCZTMLSA-N 437.332 4.849 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)CN1CCCC1 1358939968 LBSMRUDCAURLNF-UHFFFAOYSA-N 444.627 4.544 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1c(CC)noc1C 1359017513 HMAZDKMHAPKGOU-UHFFFAOYSA-N 435.547 4.697 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1359050584 VJZYWGSETHAWQB-YJBOKZPZSA-N 448.434 4.561 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H](C)c1ncc(C)s1 1359073837 GNVAYKHBZCMCQA-IQGLISFBSA-N 449.624 4.980 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCCc1ccccn1 1359118278 ZBFGYDLOBJMXKH-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359190665 YCYPCZLOZIIFMB-UHFFFAOYSA-N 441.645 4.514 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@H](F)C1 1359255284 UEFRPMLLAMLAIZ-FGZHOGPDSA-N 435.547 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC(C)(C)CN1CCCC1 1359262773 DLIKAFBTMGKSAT-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1359340731 XLDMFXVOZYYPPY-UHFFFAOYSA-N 443.020 4.927 30 10 IJEE C=CCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C(F)(F)F)cc1 1435635528 RWKHBDFRIOLPNX-KRWDZBQOSA-N 438.402 4.825 30 10 IJEE C=CCCOCCNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1435794542 QKEMJJVKSQWTLK-UHFFFAOYSA-N 425.326 4.987 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CCC)[C@H](O)c2ccccc2)s1 1448957313 FZSVJGWLRRUKQY-QFBILLFUSA-N 425.019 4.857 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)c1ccccn1 1456797491 KXZDSFFNBPZUII-UXHICEINSA-N 429.948 4.518 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@H](NCc1ccccc1)C(F)(F)F 1457811276 BGMFFQUSOOCDCK-QFIPXVFZSA-N 439.437 4.801 30 10 IJEE C=CCn1c(Sc2cc(C#N)nc(C)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1458078264 CKHMLKQCJWXLDM-UHFFFAOYSA-N 431.546 4.741 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1ccc(F)cc1 1458824236 MXZCMZVQPMWRPT-IBGZPJMESA-N 426.492 4.697 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(c2ccc(Cl)cc2)CCCC1 1462966108 AUJLIDWGACPBTH-UHFFFAOYSA-N 428.863 4.978 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(Br)cc1OC(F)F 1467492866 SUCDSEINASBZNS-UHFFFAOYSA-N 429.192 4.846 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(Br)ccc1C)c1ccc(Br)cc1 1470662812 IPGDZSPYIWLNPV-KRWDZBQOSA-N 436.147 4.694 30 10 IJEE C=CCCSCCNC(=O)NC[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1470734378 RXSVLENXWRFZJE-GOSISDBHSA-N 440.535 4.744 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 1472175132 KJLHQQQFGQFYEE-VQTJNVASSA-N 446.588 4.744 30 10 IJEE C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(-n2cccn2)c(F)c1 1475954424 DLRHLEVTTVSEPV-INIZCTEOSA-N 442.454 4.953 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(Cl)cc1F 1478483109 XFBKNGKYUUIKAB-RDTXWAMCSA-N 439.840 4.750 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 1478980961 OFWLDFFQVYAINR-ICSRJNTNSA-N 447.348 4.859 30 10 IJEE CCc1cnc(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)s1 1498145128 GUEWSWCJIPTYTF-HNNXBMFYSA-N 428.993 4.522 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1507529795 RELZGHFZMNSNAG-AVRDEDQJSA-N 426.008 4.854 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc(C(F)(F)F)cs1 1507697515 IFJZUGYFJZBDAP-UHFFFAOYSA-N 439.894 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1C/C=C\CC 1507764380 OVPLNCSKVQQQTH-GIWCCYDRSA-N 429.362 4.675 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCCOC 1507765089 XQHBYJBLGPWUHW-MHECFPHRSA-N 426.630 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[C@@H](O)C1 1507818794 XFQUNKAGEZIENR-TZIWHRDSSA-N 442.604 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1507819026 ZXANFLPXTFGBBM-RDGATRHJSA-N 431.584 4.834 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1507835493 CEPDJYMNJUTZHC-HXUWFJFHSA-N 439.604 4.612 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](CC(C)C)N(C)C)CC1 1507881876 AWFYGVAWRRYTFO-OAQYLSRUSA-N 434.588 4.733 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1507952330 QFJHIULVNFJWEY-INIZCTEOSA-N 427.549 4.572 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC#N)CC1 1507959144 NCFQENMPGPDWRQ-SFHVURJKSA-N 439.629 4.854 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1ccnc(N2CCCCC2)c1 1508020344 LPVCWJSPJCZJCQ-UHFFFAOYSA-N 442.611 4.789 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1508050964 OMBJXNFAKVZPLK-UHFFFAOYSA-N 430.600 4.831 30 10 IJEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)CCO1 1509092802 GXEDYMKFRCOMNM-HSZRJFAPSA-N 437.588 4.560 30 10 IJEE CCOCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC#N)CC1 1516434046 FNMRLJFADHPSPU-UHFFFAOYSA-N 439.604 4.667 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2ccccn2)CC1 1521109627 DHIGIRJEHBYHFD-UHFFFAOYSA-N 427.339 4.630 30 10 IJEE C=CCSCCNC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 1521640067 NFCUAVVUNMDPCL-UHFFFAOYSA-N 442.400 4.747 30 10 IJEE CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1523650210 AWUMCEQHUQBBHM-DEOSSOPVSA-N 431.536 4.617 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1523667634 ATBAAEIYKTYGDP-UHFFFAOYSA-N 439.450 4.696 30 10 IJEE Cc1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C#N)cc1N(C)C 1527779623 HOCGAARMWGGYTJ-UHFFFAOYSA-N 445.363 4.988 30 10 IJEE C=CCc1cc(CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc(OC)c1OC 1528662473 WYLPMBNCXDMRQF-UHFFFAOYSA-N 437.433 4.938 30 10 IJEE C=CCN(C(=O)C1(Cc2ccccc2Cl)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1529015325 VPKDIIJITIUPBO-QFIPXVFZSA-N 425.956 4.852 30 10 IJEE N#Cc1nc(NC(=O)CCSc2ccccc2Br)ccc1Br 1529891534 DLMNLHKVOQGTHD-UHFFFAOYSA-N 441.148 4.599 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1)C(=O)OCC 1533746646 QFIRZAJFLWFSJX-JOCHJYFZSA-N 435.499 4.615 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1534985159 DADTXPSJMJNMQS-JOCHJYFZSA-N 441.453 4.925 30 10 IJEE C=CCc1cc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc(OC)c1OC 1536271835 JIKCOLFZEXOJOZ-UHFFFAOYSA-N 445.928 4.769 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1c(C)noc1C 1538983893 YTPRYABCRWGTJF-JYJNAYRXSA-N 437.613 4.998 30 10 IJEE C#CCCCn1c(N(CC(C)C)C2CCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539141869 ZFWHHRZFRQRITB-BGYRXZFFSA-N 443.636 4.867 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1nc2cc(Cl)ccc2s1 1539331289 MIRXPQSEXHJRRM-UHFFFAOYSA-N 438.000 4.785 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(c2ccccc2)CC1 1539384149 XZPRAROKGHVPJP-NRFANRHFSA-N 449.599 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1539619697 HEKFOBQMSSTRIG-UNMCSNQZSA-N 433.581 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCCC[C@H](SC)C1 1539647093 VGXKUKRXSMVGNG-DYXWJJEUSA-N 432.659 4.634 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1539895899 DFDOIGBVXPIRGV-PMACEKPBSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC=C(C(F)(F)F)CC1 1539923515 BBYVCTXHAISEOE-UHFFFAOYSA-N 425.524 4.935 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCN(CC)C(=O)C1 1539981777 LYTIEGBUIUTUTF-UHFFFAOYSA-N 444.004 4.838 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1540026332 DAMSOGDNQFIEGD-IBGZPJMESA-N 444.023 4.502 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cn2ccc(C)cc2n1 1540059641 UVHOQWOMPQTWCY-UHFFFAOYSA-N 444.583 4.997 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@](C)(CC)O1 1540122807 ZVFVUFHPHHXPHF-OFVILXPXSA-N 430.556 4.685 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CC)s1 1540127205 CQJJHILCYLZUBE-HXUWFJFHSA-N 433.581 4.518 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1540920220 RFWMWRQEVTYFHS-RTBURBONSA-N 432.659 4.723 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1542421621 NTSPOJFJNDWHKR-HXUWFJFHSA-N 436.512 4.934 30 10 IJEE C#CC[C@@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)CCCN1C(=O)OC(C)(C)C 1544083355 GAPKJOKATJTKGS-RDPSFJRHSA-N 432.992 4.989 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(-c2csc(C)n2)cc1 1544587560 KUSAOJYEUMKFSR-UHFFFAOYSA-N 430.533 4.799 30 10 IJEE Cc1cc(F)ccc1-n1cc(C(=O)OCc2ccccc2Oc2ccccc2C#N)nn1 1544686176 HCRLBEOCFHLURC-UHFFFAOYSA-N 428.423 4.736 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1ccc(OC(C)(C)C)nc1 1546454245 GJVKGLJXEBWVCJ-UHFFFAOYSA-N 442.567 4.626 30 10 IJEE C=CCC[C@H](C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1 1556942217 VFEUXNHDCQAMSO-UWJYYQICSA-N 434.349 4.605 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OC)ccc1OC(F)F)c1ccc(Br)cc1 1562193571 FTURGFVFZARUJB-CQSZACIVSA-N 425.229 4.555 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 1562441592 HTCVHALQERYAHI-XMMPIXPASA-N 432.495 4.914 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1c(F)cc(I)cc1F 1562942677 ZIOLSCZHRCYRSS-UHFFFAOYSA-N 446.210 4.929 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1583436909 SUJYNZLEUCVVFT-XDHUDOTRSA-N 442.535 4.534 30 10 IJEE C=CCCSCCNC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 1585683946 ZQWXOJGBIQVESK-UHFFFAOYSA-N 449.359 4.833 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CCOCC1 1587562613 RGBWNVLUPPDCEG-MOPGFXCFSA-N 445.007 4.963 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1587718608 KBGBSGFSNZZTPD-AWEZNQCLSA-N 434.769 4.903 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1589078669 WBEUEESSYHYLAE-UXHICEINSA-N 429.033 4.905 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H](C)C#N 1589316576 DIGNWYGYOGHPAC-STQMWFEESA-N 434.407 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCCCC1 1589663160 JEYNGORBYRNXEZ-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@H](COC)OC)CC1 1594065029 XJFFCQWNORLQJP-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1594241394 PCPWYGCQPZUKQF-DEOSSOPVSA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1594503917 AIPOQCXVVIULLF-UHFFFAOYSA-N 444.023 4.695 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCC1CCN(CC)CC1)C1CC1 1595037412 CVMAXWMVPPUHBZ-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1595070572 DWOQOARBYGGPJM-IEBWSBKVSA-N 449.521 4.814 30 10 IJEE Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1595553379 FRRGMSYQWFROQF-AWEZNQCLSA-N 438.519 4.938 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H]1CCCOC1 1595844616 FMWHFOZMDNMZKW-IBGZPJMESA-N 437.613 4.584 30 10 IJEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC=C(C)C)CC12CCCCC2 1596171631 CJUOMAGXTGYHJG-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1603639762 SIOHZYLPYGXLDW-HSZRJFAPSA-N 438.593 4.766 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)c1cccs1 1611297281 AMUZTBRXSOFDRP-SFHVURJKSA-N 445.596 4.908 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccn1-c1cccc(I)c1 1617458854 OQLCFVZKQBKEAE-CRAIPNDOSA-N 434.321 4.947 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)Cc1cc(Cl)ccc1Br 1622044404 DAANAONSTYGOKU-UHFFFAOYSA-N 444.778 4.942 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1)c1ccc(F)cc1 1623205316 AHOBNTSZGIGWBM-OAQYLSRUSA-N 432.451 4.687 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 1624610724 WHYWUMZGTKECOE-SFHVURJKSA-N 445.387 4.564 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CN(C(=O)OC(C)(C)C)C1 1629767997 JJKSGRHSJPKBEZ-UHFFFAOYSA-N 448.523 4.806 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](Cc4ccc(C(C)C)cc4)C3)n[nH]2)c1C 1633463487 CKRUPSULWAZPGO-NRFANRHFSA-N 431.584 4.904 30 10 IJEE C#CCN(C(=O)c1[nH]c2ccc(C)cc2c1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1634813785 APWRTJLGSPVOME-UHFFFAOYSA-N 429.948 4.605 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 1638462827 BEHCNXZLBHGZDD-QFIPXVFZSA-N 438.955 4.780 30 10 IJEE C#CCN(c1cc(C)nc(-c2cccnc2)n1)[C@@H]1CCOc2ccc(Br)cc21 1639482200 MKYMLYPIQQKSEY-LJQANCHMSA-N 435.325 4.573 30 10 IJEE Cc1cccc(C2(NCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CCCC2)c1 1653761483 ASDAEIZIXDKWMZ-UHFFFAOYSA-N 430.552 4.924 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)cc1 1658320982 PRCPQRIDTIMIII-ONGXBYRLSA-N 447.988 4.665 30 10 IJEE C[C@@]1(NC(=O)Nc2ccc(F)c(C#N)c2)CN(Cc2ccccc2)C[C@H]1c1ccccc1 1658947426 FRWRWBXLYAPQPA-JYFHCDHNSA-N 428.511 4.877 30 10 IJEE C=CCCCCCCNC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1659794243 ANDZPXFKWINMRZ-UHFFFAOYSA-N 447.645 4.993 30 10 IJEE Cc1c(S(=O)(=O)NCc2cc(Cl)ccc2OC(F)F)sc2ccc(C#N)cc12 1661778477 DZAZFSDAJBYKAK-UHFFFAOYSA-N 442.896 4.815 30 10 IJEE N#Cc1ccc(OC2CCC(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)nc1 1662247346 BNYTWEIPTBOSRK-UHFFFAOYSA-N 439.581 4.669 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 1666930276 UQNIWTUHPHPJDW-SELNLUPBSA-N 425.548 4.946 30 10 IJEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCCCCCC 1667304947 KXYLHDIRPMNCIF-GOSISDBHSA-N 428.392 4.508 30 10 IJEE N#CCc1cccc(S(=O)(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c1 1667520781 FNQLMHOQNODWRB-UHFFFAOYSA-N 447.398 4.696 30 10 IJEE COC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 1668746700 DNYPEAPOJODLPG-IBGZPJMESA-N 435.524 4.643 30 10 IJEE CCCc1c(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)cnn1-c1cccc(C#N)c1 1668964103 BTNAPBNPZRPCKO-UHFFFAOYSA-N 442.567 4.667 30 10 IJEE C=CC[C@@H](CO)NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1669984481 RSKKDONDHQEQDF-HNNXBMFYSA-N 425.476 4.689 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1670916521 QFEXNPPIJFPKMD-UHFFFAOYSA-N 428.346 4.539 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(n2cc(Cl)cn2)CC1 1672209807 JZOFKOPNAXZICY-UHFFFAOYSA-N 439.741 4.733 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 1672210025 OSKHZBWKYMBKQR-YLJYHZDGSA-N 448.336 4.720 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cccc2c1N(C)C(=O)CO2)c1ccc(C(F)(F)F)cc1 1672702761 ODQNTNDQNRUGTO-MRXNPFEDSA-N 433.430 4.890 30 10 IJEE CNC(=O)CC1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCCCC1 1674202113 CHXNDGPESAZGTF-UHFFFAOYSA-N 448.567 4.654 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1C(F)(F)F 1674939881 BSCWOFRUALVPPM-QGZVFWFLSA-N 437.425 4.713 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](CC(=O)OCC)c3ccccc3Cl)cc2n1 1675017529 CDTXESFMVSWXKL-HXUWFJFHSA-N 426.904 4.692 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1679193247 BFWZWIUYRPLSDC-RTWAWAEBSA-N 429.561 4.958 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(C(=O)OC)c3ccccc23)cc(OC)c1OC 1679831148 OFMRLVRACDJMTR-UHFFFAOYSA-N 434.492 4.694 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)C1 1679943722 AOLBCQCQYGMCCG-IHPCNDPISA-N 446.979 4.726 30 10 IJEE C=CCC[C@H](NC(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1680580581 LAVBMGNZQBWBMO-NRFANRHFSA-N 445.604 4.657 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C)c1ccc(Cl)cc1F 1683517227 SZSRIUYENUQDDO-RBZFPXEDSA-N 438.305 4.866 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1)c1ccc(Cl)cc1F 1683688904 JMCCQMBEQNCAEA-XZOQPEGZSA-N 427.951 4.705 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C1CC1)C1(CO)CCOCC1)c1ccc(C(F)(F)F)cc1 1685819303 AGDITJAWRIWLSI-PMACEKPBSA-N 440.506 4.580 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 1685955541 HKKXVSDBPSASJH-CZAAIQMYSA-N 434.342 4.799 30 10 IJEE C#C[C@H](NC(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 1686919520 HGXGBVNJTDWEPA-LEWJYISDSA-N 447.348 4.664 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](OC)[C@H](C)CC 1689952930 ZSPQEMVLMGVASB-APWZRJJASA-N 426.561 4.943 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(Cl)s1 1690038170 FXZIKXMBCJYLAO-UHFFFAOYSA-N 433.339 4.964 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1cn(CCCC)nc1C 1690194956 CATDUGNPWUHNQP-XMMPIXPASA-N 436.991 4.944 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC[C@H](OCC)C(C)C 1690211304 YCZZRCGLUXELMA-JYFHCDHNSA-N 438.616 4.917 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)COC)CC1 1690415649 SUABJESCEGRGGJ-HNNXBMFYSA-N 439.387 4.849 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1690426552 RTHSWCPNJQSUBW-UHFFFAOYSA-N 434.544 4.963 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1)c1ccccc1 1690444654 KIINZMCZRQBTAC-HSZRJFAPSA-N 447.631 4.735 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1690462880 QPTLIVMIASNEIA-QPPBQGQZSA-N 445.007 4.713 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1C)C(C)C 1690583193 CFPWTLIIZNGWIQ-GSPCLOLRSA-N 443.680 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCC(C)(C)COC 1705483125 NXWHSZGMZQHTQG-INIZCTEOSA-N 433.394 4.618 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCS1 1705619980 IDSVLYMSQNOTFW-NHCUHLMSSA-N 428.577 4.584 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705785684 RYSZIHIPEYXIPL-YUMYIRISSA-N 430.637 4.660 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN1CCCCC1 1705835650 QCOLZWVJWQDVHI-UHFFFAOYSA-N 436.629 4.875 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OCCC)nc1 1705837566 GRQJVGNVXUHHBA-UHFFFAOYSA-N 448.390 4.623 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CCC1 1705912824 VPMPBGKKQPOWDB-UHFFFAOYSA-N 442.361 4.638 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2CCC(F)(F)CC2)C1 1705928073 ARKCYOWCQMOUBT-NRFANRHFSA-N 446.542 4.772 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ncc(C)s2)CC1 1722326594 IYCOZDSFXIATJF-UHFFFAOYSA-N 426.977 4.556 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)CCCS1 1722401651 GKJZKOHKENAFLB-QFIPXVFZSA-N 445.057 4.972 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1722529706 ZWTSXTORQREITL-XLIONFOSSA-N 448.995 4.525 30 10 IJEE C=C(C)Cn1c(N(C)[C@@H]2CCc3ccccc32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553571 SZBJPBBJOVSOTG-SVFBPWRDSA-N 437.588 4.749 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1722569662 JHPGGROPKOYGGQ-HXUWFJFHSA-N 441.963 4.563 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1722600897 RGDORQLPLZYOBE-SFHVURJKSA-N 429.996 4.764 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCc1ccc(Cl)c(OC)c1)C1CC1 1722651876 UNNKRFRSESEDSE-UHFFFAOYSA-N 444.004 4.693 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC1(O)CCCCC1 1722658849 MMZTYQUKFRFJOV-UHFFFAOYSA-N 437.613 4.522 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2cccc(C)n2)c1 1724185869 CSGVTWJHKFTOIX-SANMLTNESA-N 444.583 4.550 30 10 IJEE CCc1ccc(Cn2c(C(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)s1 1727399010 AGONJCWEIIDOGE-UHFFFAOYSA-N 435.597 4.993 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ncccc2F)CC1 1740581712 CSZSLGOYAHTRCY-UHFFFAOYSA-N 446.574 4.517 30 10 IJEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCC(F)(F)C1 1740643915 WMRCDEZNQDCPAN-HXUWFJFHSA-N 435.522 4.570 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1740724001 WENQORMIUJCWNL-QZTJIDSGSA-N 432.684 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](c1cccnc1)C(C)C 1740735310 ZGCOFLOCNYTDCL-RPLLCQBOSA-N 443.595 4.992 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740741976 YGTNIJJCZLJMGQ-KRWDZBQOSA-N 433.394 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740750251 AJNBTODCOREWMO-GGPKGHCWSA-N 429.634 4.786 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1740783943 AYMFRQJDEUEVTH-UHFFFAOYSA-N 428.540 4.564 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(F)(F)F)CC1 1740799402 LHLQELARMZIOFY-QZTJIDSGSA-N 444.542 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCCCN2CCC[C@H](C)C2)CC1 1740834858 KENNTWQZEWHWQV-NRFANRHFSA-N 437.632 4.868 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C(CC)CC)N(C)C 1740895632 OPQAGUDXNHBAAP-LJQANCHMSA-N 434.426 4.696 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCSC(F)(F)F 1740901391 DWZQYTBNVKWQIZ-UHFFFAOYSA-N 438.475 4.992 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=C)Br)C1CC1 1740906481 HJVVRHAJCJHGLD-UHFFFAOYSA-N 447.377 4.804 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)CCC 1740919513 IVXWUYUVNZOKGJ-DRLORSAXSA-N 440.632 4.940 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCOC1 1740923552 OTJMRGSVMKSXQU-SFHVURJKSA-N 428.989 4.813 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CC1CCN(CC(F)(F)F)CC1 1740935087 BEYCAONKDWPKCB-UHFFFAOYSA-N 449.565 4.911 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cscc1C(F)(F)F 1748689583 DLXDDGXXIOQWCY-YSVLISHTSA-N 440.535 4.783 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@@H]1C 1748702745 CETNVDZECOTUCS-HOTGVXAUSA-N 431.378 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749069187 VMGBCVNAMNKYGN-LZYPDUGYSA-N 437.607 4.511 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CCC1)CC1CC1 1749189788 SHCDMRULVUKQNG-OAQYLSRUSA-N 443.636 4.985 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1749392059 YOECWDRAVIMRGN-TZIWHRDSSA-N 427.568 4.588 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1749402511 OXCYVAHPLFVGFF-XZOQPEGZSA-N 429.653 4.824 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1749434104 HZQFKZJGFJJDNJ-NRFANRHFSA-N 434.588 4.558 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1760179262 CQSVSDBQZDXQIW-QFIPXVFZSA-N 437.657 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN(C(C)C)C(C)C 1760289659 QIHJNUVFBNXFEV-CJFMBICVSA-N 441.595 4.668 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1760356567 QWHPMZHAPXKANV-XUZZJYLKSA-N 437.632 4.628 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760377460 CFAZXLGSFAGDFL-MRXNPFEDSA-N 432.981 4.573 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CCC)C1 1760386632 DUGAVRVFJPUCLG-INIZCTEOSA-N 427.401 4.982 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1760425879 XZUZEJVYIANVKS-LJQANCHMSA-N 431.378 4.852 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1nccs1 1760446101 HLIBMGPAOBYBIK-UHFFFAOYSA-N 443.642 4.961 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC1(O)CCCCCC1)C1CC1 1760472500 MRMFMIOVBKQUAM-UHFFFAOYSA-N 445.405 4.948 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1snnc1C 1760490993 PEVGSUUJYKQVOD-UHFFFAOYSA-N 426.615 4.662 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CC1CC1 1760565452 XOIPIYGKZDGBRI-UHFFFAOYSA-N 449.665 4.548 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2CC)CC1 1764433878 CZUMCGFHOUJHGY-GGAORHGYSA-N 434.632 4.954 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC(F)(F)C2)c1 1768381010 GJKOKFAXSDEVKJ-KSFYIVLOSA-N 445.514 4.528 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CCCCCC2)CC1 1771533837 ATFVFKJHQKDUQM-UHFFFAOYSA-N 447.414 4.868 30 10 IJEE CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccc(C(=O)O)c1 1772737502 LXZUJRWZNYCGDI-OCFWRVAFSA-N 449.444 4.787 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1 1860463652 MFCNNIUJTROWCR-GFCCVEGCSA-N 440.912 4.502 30 10 IJEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)Cc1ccc(OC)c(OC)c1 1861852113 ISNPMHHPWOZXPM-VWLOTQADSA-N 434.621 4.788 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccccc2C)cc1 1862515996 XFPYYKSWSMEMBN-QHCPKHFHSA-N 437.536 4.525 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(O)c1 1862523496 IULNIYGGMPYFQS-SGTLLEGYSA-N 430.298 4.532 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCC2)c1 1862564287 WPYHHPLAGXNQAH-QHCPKHFHSA-N 434.536 4.969 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 1862735415 KELOLBPTSGPHRI-RFVSGWPVSA-N 438.455 4.891 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1862862846 JYHQNOGRJYROJP-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1sccc1C 1864505905 VXEQAFCISUKISL-GOSISDBHSA-N 448.592 4.573 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2ccc(C#N)cc2[N+](=O)[O-])c(Br)c1 1865934086 RAWCPBDDCTTXOH-UHFFFAOYSA-N 432.274 4.589 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1cc(C)ccc1C 1871186950 OCBVEBXRPDNCGF-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C3=O 1871352119 QLZMPVMEEJEDBE-VRKJEAOJSA-N 439.508 4.587 30 10 IJEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871430651 NHAGEYYTYJMAGC-NHDPSOOVSA-N 428.419 4.978 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871432516 JDBVNQJSNATMGV-UUYOSTAYSA-N 433.485 4.893 30 10 IJEE C=CCN(CC=C)c1nc(=Nc2ccc(Cl)cc2Cl)nc(N(CC=C)CC=C)[nH]1 1871734480 VYWWDLMXOIDNNI-UHFFFAOYSA-N 431.371 4.701 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCCO)n2/N=C/c2ccc(Cl)cc2)c1 1874247678 QFBXDALIOKVLBR-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc(OC)c1O 1874253991 QJCGTLJOSNIGNA-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE COc1ccccc1OCc1nnc(SC)n1/N=C/c1c(OC)ccc2ccccc12 1874286960 HCPWMXOIFJZYIK-ZVHZXABRSA-N 434.521 4.632 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccn1C 1874287166 QSFVAADKVUPNHS-MFKUBSTISA-N 447.564 4.687 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(F)cc1F 1874314130 DHUGHUSHMVRTNV-DHRITJCHSA-N 428.508 4.901 30 10 IJEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)ccc1O 1874437775 SDFYRIYDSHLFQV-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2c[nH]c3ccccc23)c1 1874493984 OOYKYPPNVXQERQ-VULFUBBASA-N 444.564 4.948 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OCC(=O)OCC(C)C 1874609216 FDURVQCWBDHKSJ-MDWZMJQESA-N 438.520 4.906 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1nccs1 1874620197 NOVNMPXECQEYPR-XVNBXDOJSA-N 426.469 4.513 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875151121 VVEWLWANMCVZLU-FNORWQNLSA-N 441.436 4.570 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)C)c(OC)c2)c1 1875171564 CNXZIMOOCNVISD-PKNBQFBNSA-N 442.508 4.959 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2ccc(Br)c3ccccc23)CC1 1890579787 SKWRYVRJTADAQK-UHFFFAOYSA-N 436.309 4.553 30 10 IJEE C#CCC(C)(C)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1962741324 MKZKEPWXHQVTKX-UHFFFAOYSA-N 437.957 4.962 30 10 IJEE C#C[C@@H]1CC[C@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1965443279 OJGDHTRVLTZXKK-AHCFMSJYSA-N 444.575 4.858 30 10 IJEE N#Cc1c(Br)cccc1N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 1998963430 MSHORBFJEGBBLM-INIZCTEOSA-N 442.235 4.590 30 10 IJEE C=CCC1([C@H](O)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2047982903 SADLLJPPGRIUOF-OAHLLOKOSA-N 430.770 4.819 30 10 IJEE Cc1ncnc(N(Cc2ccccc2)[C@@H](C)c2cccs2)c1B1OC(C)(C)C(C)(C)O1 2052616113 LQJHNFAHYNDHDM-SFHVURJKSA-N 435.402 4.914 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NCC 2063096013 YNTVESZZKARNEN-KBPBESRZSA-N 435.765 4.842 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1O 2079998353 PPLNKFGTPCCTJG-CQSZACIVSA-N 448.239 4.576 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(-c3cccs3)cc2F)CC1 2087883918 PHTOMASGKUQOJF-UHFFFAOYSA-N 442.519 4.936 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 2102887307 RTFSXXSVACPIBO-IAGOWNOFSA-N 443.813 4.930 30 10 IJEE C[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cscc1Br 2130076857 CFJJAJWHRBLUMU-WFASDCNBSA-N 444.395 4.665 30 10 IJEE CC1(C)OB(c2ccc(COc3ccc(Br)c(F)c3F)cc2)OC1(C)C 2152616514 WCVWHXPSXLAZJO-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 2159127395 GGRHZDKESNESGP-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(Br)ccc2C#N)CCCC1(C)C 2181105488 LMZNXFIOSSSGCD-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1cc(Br)ccc1C#N 2181110415 NHSLNAFCXLOXLC-INIZCTEOSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)NC1(CNc2ncc(Br)cc2C#N)CCC(F)(F)CC1 2201479979 IGJSKECJGABNDG-UHFFFAOYSA-N 445.308 4.600 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCC(=O)Nc2ccc(Br)c(C#N)c2)C1 2203262401 QJVOLXNRMYJBGH-UKRRQHHQSA-N 436.350 4.733 30 10 IJEE C#C[C@H](C1CC1)N(C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925675 ZFFPNDZCCKDNHY-IZZNHLLZSA-N 444.575 4.810 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247916075 PGDOPVXUAJQFEG-UHFFFAOYSA-N 427.781 4.938 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255524041 NXQUWDNXQNASIO-SFHVURJKSA-N 425.353 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c2ccccc21 2267460709 KVLWPOYBKIXYQL-UHFFFAOYSA-N 442.365 4.791 30 10 IJEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2267513547 WLDIXTUTKKTAHG-MRXNPFEDSA-N 441.327 4.705 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1cc(Br)c(Br)o1 2278737140 HTHRANYTCIWVHN-GFCCVEGCSA-N 447.952 4.879 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cc(Br)ccc2C#N)CCC1 2289766530 QOWCCSNDFIDQJQ-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE NCCO[C@@]1(C#Cc2cccc(Br)c2)CCCC[C@@H]1OCc1ccccc1 2296274025 RSYCMNLGEXMIKV-XZOQPEGZSA-N 428.370 4.674 30 10 IJEE COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccccc2OC)C4=O)cc1 2297591362 AHCBRKZRFLJYLK-IBGZPJMESA-N 428.440 4.761 30 10 IJEE CC1(C)OB([C@H]2CCN(Cc3cc(I)ccc3Cl)C2)OC1(C)C 2307280384 VIRRSUJLHKXDFP-ZDUSSCGKSA-N 447.553 4.613 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2313368915 FCERTWRCJFJYFT-YCAMKHIRSA-N 444.616 4.542 30 10 IJEE Cc1cccc(N=C2NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)S2)c1 2313562531 UYIZKDRDTCEKLW-UHFFFAOYSA-N 432.343 4.842 30 10 IJEE C[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CN(C)C(=O)OC(C)(C)C 2317347587 ZZEHSEHCFCEPKZ-GZKZCVOOSA-N 432.370 4.608 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(C(C)(C)C)cc1 2320933542 LUGLZRZFDRDLAD-UHFFFAOYSA-N 439.560 4.890 30 10 IJEE Cc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2cccc([N+](=O)[O-])c2)C4=O)cc1 2322218174 HLSWSXIZNJXOHP-UHFFFAOYSA-N 442.471 4.914 30 10 IJEE C=CCNC(=O)[C@H](CCC)NC(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2323194063 XCRMFQALBFPQFW-QFIPXVFZSA-N 426.944 4.519 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323882431 XGCLXKHOSYFPCK-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE COc1ccc(C=CC(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1OC 2325264255 KFKZJSILSIGPIH-UHFFFAOYSA-N 426.472 4.767 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2325504119 CQMFKXHJYAWPGB-GXBSGKDESA-N 442.600 4.992 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1c[nH]c2ccccc12 2326202894 LYNHHZZRZJEFRW-UHFFFAOYSA-N 447.564 4.722 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2328846753 FWFPIFSBBJEKMZ-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)cc1O 2329846296 CUTJJFOVXCXBTN-UHFFFAOYSA-N 448.523 4.636 30 10 IJEE CCCSc1nnc(COc2ccccc2)n1N=Cc1cccc(OC)c1OCC 2329920625 MWQCWFAOQVKOTN-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)n2N=Cc2ccco2)cc1 2329955458 HJUCNPGGEWXCAQ-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(Cc2cccs2)nnc1SCCc1ccccc1 2330395860 MHRZVTGIMWFBKF-UHFFFAOYSA-N 448.573 4.846 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCO)cc1OC 2330879216 ZEVOHGIHEJJYQW-UHFFFAOYSA-N 448.633 4.801 30 10 IJEE CCOc1cc(C=Nn2c(SC)nnc2[C@@H]2CCCO2)ccc1OCc1ccccc1 2330881451 AQDCNPGDGXGXCQ-FQEVSTJZSA-N 438.553 4.711 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)cc1 2330970797 IOHXQXZKIABNEO-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCC(=O)Nc2ccccc2)cc1 2331630454 OZOYOBDKVBOITK-UHFFFAOYSA-N 437.569 4.632 30 10 IJEE CCCN[C@@H](C#CC1CCC1)c1ccc(I)c(Br)c1 2337438649 ILGCCNPDTXUHNS-INIZCTEOSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339541022 FMJNALMYDBFSGK-CEXWTWQISA-N 441.381 4.536 30 10 IJEE C[C@@H]1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1Cc1ccccc1 2339584963 ISCPPBUBYRMSBD-UACNQURRSA-N 433.405 4.827 30 10 IJEE N#Cc1ccc(NCc2ccc(I)c(Br)c2)c(F)c1 2349841883 LGAMGLQRKBSXKU-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](CCc1ccc(OC)cc1Br)NC 2364849156 OIEMWULAHIOCOK-RBUKOAKNSA-N 441.410 4.838 30 10 IJEE COc1ccc(Br)cc1Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364930347 UZHKGPBSZVESMJ-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1nc2ccccc2nc1Br 2381309977 OMQSBIBLRYVYSQ-FQEVSTJZSA-N 436.350 4.878 30 10 IJEE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814752 ORIIZWZDAJIHJP-SZXQPVLSSA-N 444.491 4.847 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccncc2)C3)C1=O 41587427 RCVZNCRAXMJZSY-QRVIBDJDSA-N 428.488 4.757 30 10 IJEE COC(=O)c1ccc(/C=N/N2C(=O)c3ccc(Cl)c4c(Cl)ccc(c34)C2=O)cc1 59381899 WXZOFEWSUFCCPY-YSURURNPSA-N 427.243 4.563 30 10 IJEE C=CCOc1cccc(NC(=O)CNc2cccc(C(=O)N(CC)c3ccccc3)c2)c1 66090814 DYPNYTNOZMADIW-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE O=C(Nc1ccc(Cl)cc1F)N1CC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96310043 BXRIRQMNVZGXBB-JOCHJYFZSA-N 442.926 4.729 30 10 IJEE biogenic O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169965391 UWVFIAOESYGQJO-FQEVSTJZSA-N 445.862 4.705 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(C)c(C)c4)[C@@H]3c3cccnc3)nc2c1 170014241 NWOMYHPMUGVIPZ-QFIPXVFZSA-N 438.487 4.666 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccncc2)cc1 170016676 CXQJVYCFCDKCAQ-HSZRJFAPSA-N 442.471 4.717 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2F)cc1 170071539 IDMOUPXNQXKYFT-DEOSSOPVSA-N 426.447 4.799 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2c[nH]c3ccccc23)cc1 170074905 AEZDRYPXHZCKFK-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)cc1 170080779 LCZSBUIVWXEPCE-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cn(C)c3ccccc23)c1 170084497 WFICMDXGOZJKSY-HSZRJFAPSA-N 442.471 4.558 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)ccc1Cl 170199864 HAYQTTFBRZOHCL-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 170254230 FXEKIXNDIRVWKI-QFIPXVFZSA-N 439.427 4.859 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1 170311257 VBNJEZPAVJTTBR-JOCHJYFZSA-N 435.451 4.904 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1sccc1C 170315399 RUKTWTFJKYPJHY-NRFANRHFSA-N 447.512 4.919 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(O)c1 170322560 FEIXRBUMHZPYEG-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C(=O)OC)cc2)cc1 170392005 URHAFFCGLOITQO-HSZRJFAPSA-N 441.483 4.819 30 10 IJEE O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254364777 QMDPZZOPWMEPGZ-AZDGIXIISA-N 432.392 4.568 30 10 IJEE N#C[C@H](CNc1cc(I)ccc1Br)c1ccccc1 312006932 ZGLVNFOJQSKGMF-GFCCVEGCSA-N 427.083 4.773 30 10 IJEE N#Cc1cc(Nc2ccc(Br)c(I)c2)ccc1[N+](=O)[O-] 312855116 WVWKGIFYBOXPNU-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE C[C@@H]1CCc2nc(NC(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)sc2C1 435009595 SPSDLHLJTJXOTN-CQSZACIVSA-N 432.505 4.509 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460948635 JQCBRCTVAMGPKS-FQEVSTJZSA-N 444.457 4.824 30 10 IJEE C=CCOc1ccc(-c2nnc(SCc3nc(N)c4c(C)c(C)sc4n3)o2)cc1 489772938 HEMNSWQAUFWWMK-UHFFFAOYSA-N 425.539 4.797 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 508892792 FARXSZRDWINCTN-DEOSSOPVSA-N 436.943 4.819 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1c[nH]c2ccccc12 526827454 ZYMHMHQRHGAYJA-QFEZKATASA-N 433.537 4.673 30 10 IJEE N#CCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 547621797 BWUXACWSOKGOIY-UHFFFAOYSA-N 440.544 4.679 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 555244183 CYSMPYNAEPNXMR-OAQYLSRUSA-N 428.540 4.543 30 10 IJEE C[C@@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709339055 BRTZDWNHLOBASD-KQDGPHEJSA-N 434.541 4.604 30 10 IJEE N#C[C@H](C(=O)c1cccc(F)c1I)c1ccccc1Br 721680728 FOSCJVLSMRYRFT-NSHDSACASA-N 444.041 4.683 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 724091935 MIKQXWCREZBJJH-LIRRHRJNSA-N 435.487 4.763 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 735570798 PUBQFGXIJLETBE-AVRDEDQJSA-N 445.485 4.922 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)cc1OC 749657572 YDAZUAQMCIGKPJ-PMACEKPBSA-N 444.572 4.512 30 10 IJEE CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)c2csc(-c3cccc4ccccc34)n2)C1 774239038 HEPNTFHQVQQCDP-UHFFFAOYSA-N 435.505 4.633 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](c2cc(C)cc(C)c2)C1 800774013 PKAWPFFOPHVVJP-JOCHJYFZSA-N 445.567 4.501 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1Cc2ccc(Br)cc2C1 812181516 NUCJKUFNJUGJIS-HXUWFJFHSA-N 437.341 4.813 30 10 IJEE CCOc1cc(/C=C2/SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc(Cl)c1OC 1084021514 ZBNKWIKXKOLIHN-FCBPJKEOSA-N 446.912 4.679 30 10 IJEE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NN=c1c2ccccc2[nH]c2ccccc12 1084288066 QOSIEFCMXMAUKZ-UHFFFAOYSA-N 436.475 4.967 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)c1 1125188072 XLWMOVZTDOECKP-XMMPIXPASA-N 432.907 4.539 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(I)c(Cl)c1 1129784891 UXZNCNUVQDJSLF-OAHLLOKOSA-N 425.697 4.862 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1130556952 IYBHYEBDEJNISO-DEOSSOPVSA-N 430.545 4.926 30 10 IJEE C=CCN(C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12)[C@H](C)COC 1131091148 ZGZILUMRGZLJCS-CYBMUJFWSA-N 433.430 4.880 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 1138257555 OBKOXGXJIRRHDA-UHFFFAOYSA-N 442.562 4.699 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 1142255583 ZDDUUXYYYVMRRE-QGZVFWFLSA-N 439.940 4.866 30 10 IJEE C=CC[C@]1(C(=O)NCCc2c[nH]c3c(CC)cccc23)CCCN1C(=O)OC(C)(C)C 1146668879 DZJJYHSJBJHTOV-RUZDIDTESA-N 425.573 4.735 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)[C@H](Sc3ccc(F)c(F)c3)c3ccccc3)C2)cc1 1153851635 FVVVWCVCDLOHSD-HSZRJFAPSA-N 436.483 4.960 30 10 IJEE C=CCn1c(SC[C@@H]2CN(C3CCCCC3)C(=O)O2)nc2sc(C)c(C)c2c1=O 1164583700 CCSWDBDFXUGDOM-INIZCTEOSA-N 433.599 4.506 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1C(F)(F)F 1186176249 GZQLUXQQJMVGKN-HNNXBMFYSA-N 432.876 4.746 30 10 IJEE C=CCn1c(SCc2nccc(C)c2C(=O)OCC)nnc1-c1ccc(Cl)cc1 1188114658 NEGGCLUCUJRBHS-UHFFFAOYSA-N 428.945 4.957 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1190707795 NFEZXSXKPVTGNF-OAQYLSRUSA-N 429.333 4.527 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1)c1ccccc1 1200800948 SRDSUDJKSZREAZ-NRFANRHFSA-N 427.570 4.754 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C[S@@](C)=O)c2C)cc1OC 1201322701 CMZZEUVVTWAMOB-AREMUKBSSA-N 438.387 4.822 30 10 IJEE C#CCN(C(=O)Nc1cnn(CC(C)C)c1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1202262518 QOJZXWVMCFUTQD-UHFFFAOYSA-N 445.608 4.529 30 10 IJEE C#CCN(Cc1cnc(CC(F)(F)F)s1)[C@H]1CCOc2ccc(Br)cc21 1204924511 WSRLVMMRCLXFAG-HNNXBMFYSA-N 445.304 4.969 30 10 IJEE CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1217730148 CODPSBBTKZFIJI-UHFFFAOYSA-N 445.523 4.824 30 10 IJEE C#Cc1ccc(NC(=O)NCCc2ccc(OCCN3C[C@H](C)[C@@H](C)C3)cc2)c(Cl)c1 1220235473 WGPDBEXDHXNBET-OALUTQOASA-N 439.987 4.652 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1cc(Cl)cc(I)c1 1230303537 AHCFOLMKYVSPRV-UHFFFAOYSA-N 440.712 4.842 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(Br)cc1 1252459750 WRCKWAMBQDWWME-IAQYHMDHSA-N 426.236 4.598 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 1264262431 GYMJGYWNDFMHAH-GOSISDBHSA-N 433.430 4.976 30 10 IJEE CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)cc1F 1266205310 CXINAZIYAFKQBT-XOBRGWDASA-N 431.870 4.500 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 1271480403 GBSMAFSCFOQMRP-LBPRGKRZSA-N 427.327 4.657 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C 1272192360 GGHZRKQDMCVBCJ-QFIPXVFZSA-N 440.588 4.710 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnnn1-c1ccccc1Cl 1275389372 IICCLKNHFWARTD-UHFFFAOYSA-N 433.693 4.500 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=C)c1ccccc1 1286400626 CWNVYRCNLDTPSP-IBGZPJMESA-N 426.589 4.918 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(C)(C)C 1286499479 ICGURERBENRBGH-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)OC 1286519154 SAWLHHBSLCZOGY-IUKKYPGJSA-N 430.980 4.715 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCCCCC1 1286553802 RIBTVGDRVVHNJZ-FPOVZHCZSA-N 425.533 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(F)F)C1 1286566664 SMTFPRNYPUFFPQ-ONTIZHBOSA-N 430.543 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1ncc(CC)s1 1286573884 RCKFLFNXWIUGGL-UHFFFAOYSA-N 447.612 4.795 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1286619333 ACEYOZBAVRADHE-DYVFJYSZSA-N 439.785 4.885 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286620967 XATLJOTUSBQTDW-YOUFYPILSA-N 430.980 4.649 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286635838 CUXWGNZCFHDPPL-CVEARBPZSA-N 440.444 4.895 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2c(CC)nn(C)c2CC)CC1 1286649485 OLIZXBOXBTYREZ-UHFFFAOYSA-N 448.615 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)CC[C@H]1C 1286672199 JADGCYAXEPSKLQ-WOJBJXKFSA-N 437.636 4.679 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@](C)(OC)C1CC1 1286730866 QNVYCEXJIJZDLG-HXUWFJFHSA-N 425.360 4.601 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@H]1CCO[C@H](C)C1)C1CC1 1286732438 SRIRWLSVBAMCGK-QYZOEREBSA-N 428.552 4.917 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H]2C(C)C)s1 1289636955 IEDMLGBJTUTHCR-UNMCSNQZSA-N 435.597 4.884 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)CC)CC3)c1 1297640174 FLYBCKUBTUKGMB-KRWDZBQOSA-N 444.622 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1csc(C)n1 1300280645 ACWXNOUMFMEZLQ-HNNXBMFYSA-N 425.627 4.741 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1300358376 ROQZYVDDZYZNPL-UHFFFAOYSA-N 449.986 4.593 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1301009230 JQEQWHWEOOPGLC-QHCPKHFHSA-N 431.584 4.761 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C)nc2)CC1 1301106906 YAQDGRLOGZRSIX-HXUWFJFHSA-N 447.583 4.971 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CC=CCO2)CC1 1301114549 UEAVJXUBITWNKL-IBGZPJMESA-N 443.389 4.764 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCCCOC)c2)CC1 1301123369 BUQIEBPZMBJOMJ-UHFFFAOYSA-N 426.605 4.733 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCC[C@H](C)C2)CC1 1301134300 HZDIJXMHYAGWRG-NRFANRHFSA-N 437.632 4.608 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC(C)(C)C)CC1 1301135815 TYQIQBNYWJCLMG-IBGZPJMESA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1301186139 RDOZKGBUCBSVQL-OALUTQOASA-N 434.588 4.684 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1301245737 KOSQGTWTXZYQCE-IBGZPJMESA-N 441.601 4.897 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)[C@H]1C 1301246430 UMRYOHQYYBGWRQ-CVEARBPZSA-N 437.009 4.530 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1)C1CC1 1301330481 NZAMXAUCFOEHHX-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCCN1CCCC[C@H]1C 1301346604 GKAWAJKBLPOUSB-JOCHJYFZSA-N 432.616 4.741 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CCN1CCCCCC1 1301406641 UAGZBKUCKVPMGM-UHFFFAOYSA-N 433.600 4.958 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1301452451 OFEAKRKXLRDYIT-MJGOQNOKSA-N 443.567 4.915 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@](F)(C#N)C1 1301618267 NMUQCDNKWDTYHI-HSZRJFAPSA-N 443.592 4.650 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)C[C@@H]1C 1305205401 HMEGPNPYILIZMA-ZIFCJYIRSA-N 429.515 4.646 30 10 IJEE CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 1307474842 GFYNEQKJDRYNKI-SFHVURJKSA-N 442.003 4.976 30 10 IJEE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)Nc2ccc(CC#N)cc2)cc1 1309998119 FEYFOWDNYIADLW-IZZNHLLZSA-N 440.547 4.551 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(CCc3ccccc3C)[nH]n2)cc1 1310195636 APVKAJFGCUEQHG-UHFFFAOYSA-N 443.551 4.962 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc([Si](C)(C)C)cc1 1310863118 FFMVTPZLNJVTHK-UHFFFAOYSA-N 433.422 4.881 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)NCCc3cc(Br)ccc3F)CC2)cc1 1311731591 AIIQQKDIYIMTCL-UHFFFAOYSA-N 430.321 4.592 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21 1313193683 AZJCASARRUYJDS-PCCBWWKXSA-N 443.389 4.653 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1cncc(C)c1)c1ccc2c(c1)OCO2 1349398133 KTLSMEKHIIJOGO-UHFFFAOYSA-N 430.504 4.850 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C(\C)c2ccccc2C(F)(F)F)cc1 1350626065 OMQVBSKWHFPQFP-CCEZHUSRSA-N 438.471 4.554 30 10 IJEE CCOC(=O)c1c(NC(=O)Cc2cccc(OCC#N)c2)sc2c1CC[C@@H](CC)C2 1350912216 IAQTYHJGKSIOKG-OAHLLOKOSA-N 426.538 4.523 30 10 IJEE C#Cc1cccc(NC(=O)c2cc(Br)cc(I)c2C)c1 1353338135 OINZNPHYXGTMHO-UHFFFAOYSA-N 440.078 4.596 30 10 IJEE C=CC[C@]1(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1355913044 IRHLTQLEWUPCOS-RUZDIDTESA-N 443.588 4.633 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(N2CCOCC2)c(C)c1 1358207370 DLPFWOLMDSQCDT-UHFFFAOYSA-N 447.348 4.562 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCN(CC(C)C)C1 1358874805 DCRBJYNSVXAHPB-FGZHOGPDSA-N 444.627 4.628 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)s1 1358914184 KPGOKMZCXDVFOL-UHFFFAOYSA-N 444.402 4.528 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]2CCC[C@@H]21 1358922729 OUOVMKOFMACQNP-UZLBHIALSA-N 443.389 4.899 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccccc1 1358987328 BZTPKXYSJBGRRI-HXUWFJFHSA-N 444.604 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1359185043 JROLEEUMDUMXPC-UHFFFAOYSA-N 447.986 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(F)(F)F)CC1 1359185080 KODPAXJVAMBFAS-UHFFFAOYSA-N 425.499 4.523 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CCCC2)C1 1359210457 TXTMMFDMIMXQKE-UHFFFAOYSA-N 426.561 4.708 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cc(F)cc(F)c1 1359234108 DNONYAKJBKUPKQ-UHFFFAOYSA-N 439.329 4.912 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCO[C@@H](C)C1 1359243551 VMNMQFLBJBEVOW-OALUTQOASA-N 432.996 4.689 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC1(C)C 1359256675 MWMGWWOCVXUBFX-HXUWFJFHSA-N 432.597 4.744 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c1 1361104606 VKKJHPOJCXZLDP-IBGZPJMESA-N 432.520 4.763 30 10 IJEE C#C[C@@H](NC(=O)CCCCc1ccc(OC)c(OC)c1)c1ccc(Br)cc1 1436651246 NCGURODFBRNACA-LJQANCHMSA-N 430.342 4.670 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2C(C)(C)C2(C)C)c1 1457479381 QPZUBZQKFMBJFK-UHFFFAOYSA-N 447.000 4.886 30 10 IJEE CC(C)(C)c1cc(NC(=O)Cc2csc(-c3ccoc3)n2)n(-c2ccc(C#N)cc2)n1 1459991947 FPMUNWFNNZIUJE-UHFFFAOYSA-N 431.521 4.939 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)C(=O)Nc1ccc(Br)cc1Br 1460486688 GVNAUNVTCMNUMT-FPMFFAJLSA-N 428.168 4.722 30 10 IJEE Cc1nsc(N(C)C(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)c1C#N 1460784544 ASTAXVKDZAPLQG-UHFFFAOYSA-N 440.569 4.553 30 10 IJEE CC(C)(C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1)C(N)=O 1465762781 ATXXCULNRCWINW-INIZCTEOSA-N 438.503 4.635 30 10 IJEE C=CCn1c(SCC(=O)N(C)Cc2ccccc2Br)nc2ccccc21 1472916921 RYGYWMNRJDTTRN-UHFFFAOYSA-N 430.371 4.736 30 10 IJEE C=CCN1CC[C@H](N(C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)C1=O 1473424339 SWGSLHRYKYBNMB-FCHUYYIVSA-N 432.486 4.934 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(N3CCOC(C)(C)C3)cc2OCC)cc1 1476421626 JKKVWPHPAZCDBZ-UHFFFAOYSA-N 439.556 4.587 30 10 IJEE C=CCCCCNC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1477086007 AOEOMMQEVKREQH-UHFFFAOYSA-N 446.345 4.605 30 10 IJEE CC#CCCNC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1477257225 MOHISLBHZAAGKC-LJQANCHMSA-N 436.408 4.867 30 10 IJEE CCCOc1ccc(Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)cn1 1501258355 AGZMTMSJPHTUKA-UHFFFAOYSA-N 430.556 4.676 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1507549096 YAPOKRGHHSHOML-XLIONFOSSA-N 446.064 4.802 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(Cc1ccccc1)CC1CCOCC1 1507558339 HWMWLUIJMICSQJ-UHFFFAOYSA-N 431.584 4.520 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](CCOC)C1 1507749352 USFXPVXSMLEECN-SFHVURJKSA-N 444.670 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCc1ccccc1C(F)(F)F 1507765775 DXFGGZNHGHFXTD-JOCHJYFZSA-N 425.458 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)c1ccsc1 1507812668 ORIGWJFPKLOBQC-UZUQRXQVSA-N 444.576 4.929 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OC(C)C)CC1 1507856518 BAGQIUUXHCVRTQ-UHFFFAOYSA-N 425.964 4.948 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1507872209 BEMRFISXDQEBHO-SJORKVTESA-N 443.762 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1507918327 AQTRAIDZDIBCFH-JOCHJYFZSA-N 449.643 4.655 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507919893 SKKFAHBOMKMMSN-BHDDXSALSA-N 438.616 4.795 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CCOC)C1)c1ccccc1 1507924457 NTDDMRXACUTSMI-GMAHTHKFSA-N 431.584 4.871 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1coc(-c2cccs2)n1 1507996878 LFWITPKPFKNANW-UHFFFAOYSA-N 435.553 4.807 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1508007266 YDZHTTUJCBYNPD-QGZVFWFLSA-N 431.606 4.713 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCC[C@H]2C)cc1OC 1515088510 JIOBLAVDWBCBJL-UACNQURRSA-N 434.580 4.964 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCSC2)C1(C)C 1516374786 CBERWFAIUZFZGB-HLAWJBBLSA-N 439.629 4.600 30 10 IJEE CCOc1ccccc1CN1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)[C@@H](C)C1 1518872655 HDZLIRLMEPYQMX-KRWDZBQOSA-N 433.577 4.827 30 10 IJEE C#CCN(C(=O)c1nsc2ccc(C)cc12)[C@@H]1CCOc2ccc(Br)cc21 1521818226 AHQHRWXEGHUDMJ-QGZVFWFLSA-N 441.350 4.966 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1524739038 GUXNGVSUSQXNLR-LHSJRXKWSA-N 425.356 4.964 30 10 IJEE Cc1ccc(NC(=O)CSCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)cc1 1529353490 DGXXZXZNERZMBC-INIZCTEOSA-N 449.498 4.626 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(I)cc1 1530533555 GCCACNXGCMWSBX-UHFFFAOYSA-N 447.725 4.600 30 10 IJEE CC(C)(C)c1cc(NC(=O)Cc2ccc3c(c2)OC(F)(F)O3)n(-c2ccc(C#N)cc2)n1 1532370832 BSNHOVHEBWWNLU-UHFFFAOYSA-N 438.434 4.544 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(Cn3cc(Br)cn3)s2)c1 1537059115 JFNNJZXFHKATQZ-UHFFFAOYSA-N 432.343 4.963 30 10 IJEE C#CCOc1ccc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 1537950110 SVQUNRZUWJGPRO-UHFFFAOYSA-N 447.331 4.833 30 10 IJEE C#CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 1538199656 WWOHWCDIKNWKJQ-KKSFZXQISA-N 442.353 4.622 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCC(C)(C)C1CC1 1539030077 NNUGPYXOUURTPK-INIZCTEOSA-N 445.405 4.904 30 10 IJEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1539123726 CXLDUZCWPWVHDB-HXUWFJFHSA-N 449.624 4.694 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CC1CCN(CCC(C)C)CC1 1539390098 ITFDHZGKEZRJGG-UHFFFAOYSA-N 437.607 4.693 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1ccnc(SC)c1 1539391624 GJNUEPAJXFUKTK-UHFFFAOYSA-N 449.599 4.955 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1539607398 DZOLENGRTSYFRU-INIZCTEOSA-N 449.393 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@H]1CC 1539619925 IMXROLYTWNATCQ-RGCFKVTRSA-N 448.409 4.642 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(O)(CC)CC)CC1 1539873975 IERVDWGMKIPBEV-FQEVSTJZSA-N 426.605 4.988 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539997739 SUSGJKGQBOXKGO-GOSISDBHSA-N 430.478 4.876 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C)CC1 1540027934 GVHYJQMALJEVQD-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC[C@H](OC)C(F)(F)F 1540140375 OTURVQDJCIZNMP-KRWDZBQOSA-N 437.491 4.562 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(C)C1)C(C)C 1540148496 XNDIIXRRUZWDRN-NRFANRHFSA-N 441.023 4.849 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C)s1 1546297441 DNCQBESMJWVDJP-UHFFFAOYSA-N 435.597 4.968 30 10 IJEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CC)CCCC2)cc1OC 1547949142 CKLWMPHMIXWWEA-DEOSSOPVSA-N 441.551 4.765 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1557476197 ZWFSANNJBROECR-LAUBAEHRSA-N 430.545 4.800 30 10 IJEE C#CCN(C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)[C@@H]1CCCc2ccccc21 1558542104 QRZGGSRFOYKOEW-HXUWFJFHSA-N 439.581 4.962 30 10 IJEE C=CCn1c(SCC(=O)N(C(C)C)C2CCCC2)nc2sc3c(c2c1=O)CCCC3 1559330593 HPHDORUOLLCVJW-UHFFFAOYSA-N 445.654 4.795 30 10 IJEE Cc1cc(NC(=O)[C@@H](C)Sc2nc3c(c(C)c2C#N)CCC3)ccc1Br 1559341828 DWLPJGWWJXYGRU-CYBMUJFWSA-N 430.371 4.941 30 10 IJEE CCCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@H](C)C(=O)Nc1ccccc1C 1559791487 FEYTYAKUGKDNSR-JOCHJYFZSA-N 434.584 4.598 30 10 IJEE C[C@@H](C#N)CN(C)S(=O)(=O)N(Cc1ccc(-c2ccccc2)s1)C1CCCCC1 1561329342 BSHUDCXVRKQMHR-SFHVURJKSA-N 431.627 4.886 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3F)CC2)c(Cl)c1 1562319298 BSSARIFRCQKDRT-UHFFFAOYSA-N 426.801 4.724 30 10 IJEE CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1562787770 CCXWGUXSNBTNDP-NRFANRHFSA-N 445.567 4.846 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1sc(C(F)(F)F)cc1C(=O)OCC 1562902385 YNPNLHBAJTWRDO-UHFFFAOYSA-N 446.447 4.639 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1565000021 RTMDUBBDHAWCJF-ZCNNSNEGSA-N 449.776 4.834 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 1569724891 IPWIWQZTMJXTAJ-MJGOQNOKSA-N 426.586 4.535 30 10 IJEE C#C[C@@H](NC(=O)C1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1583549757 PSWCXYNPUWRUPG-MRXNPFEDSA-N 444.881 4.710 30 10 IJEE C=C1CCC(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CC1 1584069868 PQVLEFYNFMYIAM-GOSISDBHSA-N 437.378 4.878 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 1585672307 AKGDKNNLCBXZAO-ZSFFSCSXSA-N 444.531 4.670 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)c1C 1586348269 GANKAYWDIVIHIX-UHFFFAOYSA-N 437.853 4.678 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(OC)c(Br)cc1Cl 1586932982 LJXMCPSFPPFFEP-UHFFFAOYSA-N 426.694 4.937 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCOCC(=C)C 1588185206 CYGCNWJDHVWHLI-UHFFFAOYSA-N 438.984 4.869 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)CC 1588189776 RPHGRUDLYAXKKX-UHFFFAOYSA-N 431.353 4.746 30 10 IJEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1589006373 DSYKOFUKCWMREW-UHFFFAOYSA-N 427.986 4.534 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](COC)C1 1593852100 LTWSEKDYGHLSKN-OAHLLOKOSA-N 439.785 4.713 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(C)(C)OC)CC1 1594208407 HHOFUEOPYWMGRA-UHFFFAOYSA-N 436.556 4.945 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CC1 1594430343 LHYAARYGXLYUTI-LJQANCHMSA-N 427.499 4.567 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CCCNC(=O)OC(C)(C)C)C1CC1 1595026219 GXGJEMWZXHPBSF-UHFFFAOYSA-N 431.968 4.668 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC=CCC1 1595119582 ADMGHSRMKGACDO-LJQANCHMSA-N 446.530 4.613 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)s1 1595239881 VVLRTPKCOLOELJ-GOSISDBHSA-N 428.989 4.780 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 1595475404 BQYHRRVNSJMWSR-DOTOQJQBSA-N 433.936 4.570 30 10 IJEE Cc1cc(F)c(C(F)(F)F)cc1NC(=O)c1nn(C)c(C(F)(F)F)c1Br 1596140901 FVXFMJMIEZEDOE-UHFFFAOYSA-N 448.136 4.920 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2c(C#N)cccc21)c1cccc(C(F)(F)F)c1 1598137303 FMHLICSJDGRKTR-IBGZPJMESA-N 445.441 4.732 30 10 IJEE N#Cc1ccc(CN(C[C@H]2CCC[C@@H](C(F)(F)F)O2)c2ccc3nc(O)[nH]c3c2)cc1 1615984257 OTVLKPPWKYYYOD-XLIONFOSSA-N 430.430 4.647 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)c1ccccc1 1616818365 SYSCGGCHZKOABG-PMERELPUSA-N 427.526 4.684 30 10 IJEE C=CCN(CC(=O)Nc1cccc(Cl)c1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1617224545 BOARAFUNNZJANS-IBGZPJMESA-N 435.351 4.594 30 10 IJEE C=C(C)CN(C)C(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 1618296257 BYLYMZGRHZXOKP-UHFFFAOYSA-N 436.581 4.590 30 10 IJEE COc1cccc([C@H]2C[C@@H](C)CN2S(=O)(=O)c2sc3ccc(C#N)cc3c2C)c1 1621959564 CTMFZJRRPZELBU-JLTOFOAXSA-N 426.563 4.862 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 1630314314 LHPYQMQJCSPUDJ-HSZRJFAPSA-N 434.486 4.817 30 10 IJEE CCCc1c(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 1633287061 GBVAWSAABGBKFH-XMMPIXPASA-N 447.970 4.953 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 1633416413 BRRDGFNLJURIAI-QHCPKHFHSA-N 445.567 4.580 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccccc1 1640208160 JJFUWTUAZDYGBU-RUZDIDTESA-N 436.224 4.859 30 10 IJEE C=C(Cl)C[C@H](Nc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)C(=O)OCC 1640272648 UXSHAUBLMSYODX-AWEZNQCLSA-N 440.718 4.584 30 10 IJEE CC[C@H](c1ccc(F)cc1F)N1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1644609438 GBTKTDLHFDGABV-IVZQSRNASA-N 446.929 4.586 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)c(OC)c1 1645110630 FTEBZNLUDVQYSE-IBGZPJMESA-N 428.960 4.807 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)C1 1646454854 AEUFCEIHMWEFGG-JOCHJYFZSA-N 426.564 4.748 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)C1 1649591879 GNAHSPVWEQDNHA-QHCPKHFHSA-N 434.632 4.954 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)NCC(C)C)c2)nc2sc(C)c(C)c2c1=O 1651629295 JBBMYEHIZHXKSH-UHFFFAOYSA-N 441.622 4.939 30 10 IJEE C=CCOc1ccc(CNS(=O)(=O)c2cc(C)c(OCc3ccccc3)c(C)c2)cc1 1655291816 FJISRGNXYJHOBV-UHFFFAOYSA-N 437.561 4.926 30 10 IJEE C[C@@]1(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN(Cc2ccccc2)C1 1658096114 FACOXSSYICDANH-VWLOTQADSA-N 445.592 4.639 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C)C[C@H]1c1ccccc1 1662573948 RRBDCPDALSHOSF-IBGZPJMESA-N 430.346 4.535 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCC[C@H]3[C@@H](C)NC(=O)OC(C)(C)C)cc21 1664929992 ZETPISKPOGSMBN-APWZRJJASA-N 427.549 4.522 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 1667790831 IMEVIJOWRPEWSD-UHFFFAOYSA-N 448.523 4.502 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3OCC(F)(F)F)CC2)cc1 1669165348 COOCROKUIJVWLN-UHFFFAOYSA-N 438.837 4.507 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)c1ccc(Cl)cc1 1670024492 FWTDQKZHIZHBHU-QGZVFWFLSA-N 429.705 4.784 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H](C)c1ccccc1C(F)(F)F 1670651759 HZTFHFZRZHSWFR-CMKODMSKSA-N 444.501 4.617 30 10 IJEE C#C[C@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(F)cc1 1674014672 FXIHJTAGYYGCOY-QFIPXVFZSA-N 439.531 4.627 30 10 IJEE CC(C)(COc1ncccc1C(F)(F)F)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1674934267 AMEBNGHFGKOHJC-UHFFFAOYSA-N 446.351 4.970 30 10 IJEE C=CCCCNC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1680813430 YGFOQBJRMIPCIS-LJQANCHMSA-N 429.561 4.545 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1681459043 RDETXFBZIKUYED-GOTSBHOMSA-N 441.641 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOC(F)(F)F 1689830768 CGZOSKHODQZRNH-INIZCTEOSA-N 445.489 4.737 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1csc(C)n1 1689866380 AZLKFFPAPVQANU-AWEZNQCLSA-N 432.018 4.689 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)c1cccs1 1690052314 FNJNLJONMVFTPS-UHFFFAOYSA-N 441.604 4.783 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN1CC 1690212516 NSAXUTABLWBITH-WXVAWEFUSA-N 449.643 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1(N(C)C)CCCCC1 1690213000 YNDUFFFYOJBSQU-AREMUKBSSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CCCO)CC1 1690242908 DVUWHJFNZMEMHY-DENIHFKCSA-N 445.007 4.569 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nccc(C(F)F)n1 1690256645 QWQYCTGEULZKHO-OAHLLOKOSA-N 446.477 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1csc(C)c1 1690258834 WAYJGGXWRDGGRA-UHFFFAOYSA-N 442.585 4.792 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)c1nc(C)cs1 1690259319 FKDVAYIHNXEGOL-INIZCTEOSA-N 441.601 4.933 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1690402781 PMWDGCOGWFFDOU-CJFMBICVSA-N 440.588 4.712 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](OC)C(C)(C)C)C1 1690711971 LLEQWWDCRUZKAH-TZIWHRDSSA-N 444.645 4.721 30 10 IJEE CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1691955759 FGIUVLIUPZKUJT-DEOSSOPVSA-N 434.632 4.810 30 10 IJEE N#CC1CCN(c2nnc(CC3CCCC3)n2Cc2sccc2Br)CC1 1698490407 AXFIIVSKFFPOQY-UHFFFAOYSA-N 434.407 4.623 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCn2ccnc21 1705485647 MPSDWTJFZSVUHN-IRLDBZIGSA-N 446.599 4.602 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1CC 1705576115 GKOXFIKEXDLELM-MJGOQNOKSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCC1(F)F 1705596014 OQGHTWDOWBVFRH-HXUWFJFHSA-N 449.505 4.889 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSC(F)(F)F 1705606776 FOWXWLUNXRGZLY-CYBMUJFWSA-N 428.549 4.844 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C)CC1 1705708772 HCQZEEATWCTYLW-MSYCTHLASA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1705723052 XENIQVOAZYJRDK-GOSISDBHSA-N 431.968 4.668 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccccn1 1705731694 ARPOYJCXXIOIAK-SFHVURJKSA-N 437.613 4.756 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705747148 GTWGYXIHBYZVKL-WAOWUJCRSA-N 446.979 4.575 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2cccc(OC)c2)nnc1[C@@]1(OC(C)C)CCOC1 1705824225 JSAPYYDFBLZENL-WIOPSUGQSA-N 440.588 4.635 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)N1CCC(C)CC1 1705837975 WDXAPALUYKASOR-OAQYLSRUSA-N 449.599 4.860 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CC(C)(C)N1CCCCC1 1705860685 MYTNBLAWQTZMDN-UHFFFAOYSA-N 432.616 4.559 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC[C@@H]1OC 1722376345 ZCHYZXSTJUQFSJ-CTNGQTDRSA-N 448.567 4.701 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCC(C)(C)C1CC1 1722421077 OPVUXYBTXHQTDH-UHFFFAOYSA-N 445.405 4.620 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1722519531 JZXLNVBNOIUPGV-WOJBJXKFSA-N 438.576 4.520 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C#N)CC1 1722536568 XRRAYXSVHIOZJN-UHFFFAOYSA-N 437.588 4.622 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1722567549 CCOIDXQBGPMUIA-FQEVSTJZSA-N 425.964 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722587763 ZTOWRXISVGVWQR-XFAGBWLFSA-N 445.007 4.974 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1csc(CC)n1 1722674201 AFCQMXOGZYKNPH-UHFFFAOYSA-N 444.564 4.712 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCCCC1 1723761803 FZFRCYUWRCHSES-IBGZPJMESA-N 432.572 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC1CCCCC1 1740539904 WOUZCSYIMUGCMA-FQEVSTJZSA-N 431.584 4.999 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCc1cccc(F)c1 1740541440 ZHBJDAYYPHRNSD-AWEZNQCLSA-N 447.377 4.999 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H](OC)C(F)(F)F 1740557850 AQJGOBZIYCVKDF-CJNGLKHVSA-N 446.926 4.649 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740570336 PFHMYENXNOJWRE-RXVVDRJESA-N 433.383 4.777 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@H]1CC 1740570845 JSGRUOZEVBWDOW-WOJBJXKFSA-N 446.599 4.664 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@@H](SCC)C1 1740586951 SWKUZJCPSRMFMI-HXUWFJFHSA-N 442.629 4.878 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1740590449 LTVYVPXKHSPOHF-UYAOXDASSA-N 427.618 4.897 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCN(C)C1CCCCC1 1740677910 UZAAVKBEHXBEIO-HXUWFJFHSA-N 425.596 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(F)c(F)c1 1740776755 BELSKBGYSQXLIM-WIYYLYMNSA-N 448.558 4.956 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(c2ccnn2C)CC1 1740787206 COVOAGNSERAKFY-QHCPKHFHSA-N 448.615 4.530 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2cc(C)nn2C)CC1 1740827959 QWJGJBMOHSWRIZ-UHFFFAOYSA-N 434.588 4.536 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]2c2cccc(F)c2)nnc1[C@]1(OCC)CCOC1 1740866318 ADBLJEZHDTZQPR-QPPBQGQZSA-N 428.552 4.767 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@]2(CC=CCC2)C1 1740870006 GTRHJEQECLYVRO-XMMPIXPASA-N 440.613 4.642 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)S[C@@H](C)C1 1740885066 VXEDHXFEZYFAHK-ROUUACIJSA-N 439.585 4.523 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1sccc1Br 1740903604 FEXIABPIUABWPV-UHFFFAOYSA-N 447.402 4.968 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](CC)N1CCCC1)C1CC1 1740908004 GXTUGKCRYITYKG-LJQANCHMSA-N 444.421 4.737 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CC1(O)CCCCC1 1740920738 VAUBTOCVNVCAOR-UHFFFAOYSA-N 440.588 4.957 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC=C(C(C)(C)C)CC1)C(C)C 1740927124 RHUKBRTVAOPLMA-GGAORHGYSA-N 441.664 4.663 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1741801615 BSYNBZOIVSYXID-OLMMMNRUSA-N 449.477 4.823 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC1(OC)CCC1 1743669126 HRLHTZQLSXHCTP-IBGZPJMESA-N 437.588 4.670 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1744824871 HFYWVDHDNHFKLB-HNAYVOBHSA-N 440.473 4.904 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1748703235 XRQSJHSBIWMWLA-PBHICJAKSA-N 426.870 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC[C@@H](OCC)C1CCCC1 1749056564 LGJROXMONIKSFN-ZEQKJWHPSA-N 436.600 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCSC1 1749059709 CPOLZLZIGJLITN-KSFYIVLOSA-N 431.005 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)cc1 1749080099 HEZMNPIXQRQOPB-HFZDXXHNSA-N 449.599 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(CC)C1CCCC1 1749139650 HYSZCENQKJHCHT-MBSDFSHPSA-N 428.552 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)=C(Br)C1 1749373165 GEKINQWQQNWAGL-UHFFFAOYSA-N 447.425 4.621 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCc2sccc2C1)c1ccccc1 1749380912 BALMFXVMMJFSCP-FQEVSTJZSA-N 449.624 4.791 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(C)(C)OC[C@@H]1C 1749447483 FQSWJBDTBFWPSD-MSOLQXFVSA-N 444.645 4.728 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCN(C)C1CCCCC1 1749539304 YFXHQLXOSSGIBR-DEOSSOPVSA-N 437.632 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1749570869 DRKFROQPNGUSNC-UHFFFAOYSA-N 430.556 4.629 30 10 IJEE C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N)Oc1cccc(F)c1 1751201662 DANYHZXQCATDEJ-ZCLUNYJNSA-N 443.567 4.542 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](CC)c1ccccc1 1752727926 DTMBFLDKKIKUJK-ZWKOTPCHSA-N 430.556 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccncc1Cl 1760103221 BABMNORFQSAUFL-AWEZNQCLSA-N 444.764 4.571 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760106372 BRKCGUMOEREBHA-HBMCJLEFSA-N 444.627 4.708 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1760166078 PKGZIGAFHDJGST-GHTZIAJQSA-N 440.016 4.813 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCN(C(C)C)C(C)C 1760240746 AMBXITXCLWGGQN-UHFFFAOYSA-N 437.563 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCC=CO1 1760290079 VVTFFRBRRYDNGZ-RZTXVSJASA-N 436.556 4.502 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C1CCC1 1760303688 VMQIDSXNSFTBRJ-KRWDZBQOSA-N 432.322 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCSC(C)(C)C1 1760318414 NYCIQWCFLBSDMW-SFTDATJTSA-N 426.630 4.821 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)c1ccccc1 1760417613 GDXNWATYTMISTL-CEMLEFRQSA-N 435.616 4.647 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760441719 RVAMTLWNGSYUNQ-RXVVDRJESA-N 435.399 4.864 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1 1760478067 TURMKFDKRHLUAJ-NVQXNPDNSA-N 447.583 4.889 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1 1760498594 XPTFTNXBQMLVAU-QHCPKHFHSA-N 426.948 4.588 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)CCC1 1769595567 CMZCAXKMIGVHDF-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NNc4ccc([N+](=O)[O-])cc4)C2=O)C3(C)C)cc1 1772722300 MHPCEKCKRNCCIT-BJKOFHAPSA-N 434.496 4.705 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C/c3ccccc3O)C(=O)N2Cc2ccco2)cc1 1772759531 SZSCZZFSLYYEAP-HWVQBVCISA-N 446.532 4.558 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 1862094459 KFUVLSKVYAJSCP-JOCHJYFZSA-N 448.542 4.858 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862411854 QHNGSFUIBPBCHX-FQEVSTJZSA-N 441.455 4.553 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862518026 AJXOZEHMQMDEMM-BTYIYWSLSA-N 438.480 4.760 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)c1 1862556296 SQAZQOCMYRCBDU-NRFANRHFSA-N 436.870 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1ccc(O)cc1)c1cccc(O)c1 1862590366 HJPJPTWKOUUUCN-DEOSSOPVSA-N 443.499 4.699 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621406 PSTXFAQCTHZGOV-HSZRJFAPSA-N 431.488 4.884 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC)cc1 1862669236 RDJUJHJPRWIFOH-HSZRJFAPSA-N 437.536 4.824 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862693889 VVFHJRDAEVHUGZ-BUXKBTBVSA-N 444.871 4.634 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@@H](C)O)c1 1862721454 FPHCZWQGCPHLFE-HOYKHHGWSA-N 427.500 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1862743941 HVNFCOXAPNBEES-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862756417 OJYWYEZIATYZOU-BTYIYWSLSA-N 438.480 4.760 30 10 IJEE CCCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2F)C1=O 1862923798 QQDFFLFQZXEUEZ-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)c1 1862930990 QOKJINBJUFNWFR-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccc(F)cc2F)C1=O 1862952913 CHWCQCKUNUGRRB-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)c1 1863038698 QERDJFOBGJPSGG-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE CCOc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863129684 OIUPEIYTBKDBOW-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE Cc1ccc(C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1[N+](=O)[O-] 1865965769 GDEJPWOJYSHYQX-UHFFFAOYSA-N 439.063 4.552 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(C)C 1868788280 MZDJTROELIIPDL-HSZRJFAPSA-N 431.536 4.758 30 10 IJEE COc1ccccc1CCC(=O)Nc1c(C#N)nnn1-c1ccc(Oc2ccccc2)cc1 1870146909 OHVCFBAIYKGHSZ-UHFFFAOYSA-N 439.475 4.511 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(OC)c(F)c2)cn1CCCCC 1870382269 LKOGHSDKNNPFSJ-UHFFFAOYSA-N 428.548 4.939 30 10 IJEE C=CCn1cc(OCCCCCCC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870410865 IYHBUCLLRQAZPV-UHFFFAOYSA-N 441.591 4.845 30 10 IJEE C=CCn1nc(C)c(I)c1C(=O)Nc1c(Cl)cccc1Cl 1871323838 IOHSSZNPVYOYTH-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCC5(CC3)OCCO5)CO4)C2=O)cc1 1871348112 QZFWFYUVFUGVKJ-IWIPYMOSSA-N 447.531 4.703 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1O/C(=C\C=C\c1ccccc1)C2=O 1871392528 AZAHVWLPAHYELG-GVWDBFSNSA-N 435.520 4.730 30 10 IJEE CCCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871421557 GHSFODLGUVPNCC-UUYOSTAYSA-N 438.476 4.842 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Br)cc1)S(=O)(=O)CCCC 1871748549 PJJNFLJMCNAJAV-SFHVURJKSA-N 445.423 4.564 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1871873669 IHBITKCORBNADY-JTSKRJEESA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872254894 OKXPOYWVIHLZCI-NRFANRHFSA-N 444.597 4.605 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872268553 VTBXJTPTVPMOKU-NZQKXSOJSA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872464313 NSRZNPFKTWYIOH-CQSZACIVSA-N 441.380 4.760 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872531918 ZTEZGAJCTKCDAG-NRFANRHFSA-N 444.597 4.523 30 10 IJEE Cc1c(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872779446 KDCWDQVLCSPAJF-ZDUSSCGKSA-N 444.375 4.703 30 10 IJEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] 1872779928 UTQWOPUGSFMHOK-ZDUSSCGKSA-N 428.420 4.553 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 1872785116 GCSKHSRHUKFMDJ-INIZCTEOSA-N 442.924 4.908 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2-c2ccco2)ccc1OCc1ccc(C)cc1 1873502869 XJGKFRBBTWQXLJ-ZVHZXABRSA-N 434.521 4.995 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874197996 JQZGAJMUFCUCSB-LFVJCYFKSA-N 447.520 4.955 30 10 IJEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874204925 ASDLPRFUEPHPHQ-AWQFTUOYSA-N 438.296 4.676 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2/N=C/c2ccc(Cl)cc2)cc1C 1874331741 CFADJQIXASAKPM-BUVRLJJBSA-N 428.989 4.690 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccn1C 1874454949 SZXDEQWDAFCDKG-ZVHZXABRSA-N 436.585 4.504 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCO)nnc2C2CCCC2)cc1OCC 1874457680 BCWHAOHMHAWAJI-JJIBRWJFSA-N 446.617 4.870 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2-c2ccco2)cc1 1874464723 YMDKDJYWVSVNLM-ZVHZXABRSA-N 432.505 4.808 30 10 IJEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc(OC)c1O 1874513787 PQAHJTGCMAUYOV-WYMPLXKRSA-N 440.569 4.916 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(C)nnc1SCc1ccc([N+](=O)[O-])cc1 1874531191 WCOLDLBGYNBVHF-YDZHTSKRSA-N 433.493 4.831 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(C)c2)cccc1OC 1874574373 JJZFNCJGUCTLTI-ACCUITESSA-N 439.552 4.936 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1F 1875153166 TVDDBZCNUBZDLE-ZZXKWVIFSA-N 426.831 4.701 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)c1 1891529117 QRLKDMPFNYJIKH-UHFFFAOYSA-N 425.488 4.508 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C2)cc1 1941497503 RXXFQWWHKBMHBJ-HJPURHCSSA-N 431.533 4.728 30 10 IJEE C[C@@](CCc1ccc(C#N)cc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951708631 KSKFUAGKVZITBB-MHZLTWQESA-N 440.499 4.873 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCCC1 1984692210 LEVKNQQOHCAAEB-DEOSSOPVSA-N 445.563 4.892 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCC(C#N)CC1 1984693164 BENSTZZGPDETCZ-ZPHNUYGRSA-N 445.563 4.748 30 10 IJEE C[C@H]1CN(c2ccc(C#N)c(Br)c2)C[C@H](C)N1C(=O)OCc1ccccc1 2006297139 POYMQNYTCXUNFU-HOTGVXAUSA-N 428.330 4.557 30 10 IJEE N#Cc1ncc(Br)cc1Nc1cc(I)ccc1Cl 2048647455 GRTYTVLXUOHJBL-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE N#Cc1ncc(Br)cc1NCc1cc(Br)ccc1Br 2111317916 OOXPOOVLEZFDSB-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)cc(F)c1C#N 2118198491 HLONFKBBKUZISB-CHWSQXEVSA-N 426.330 4.589 30 10 IJEE Cc1cnc(Nc2cc(Br)c(Br)c(Br)c2)c(C#N)n1 2125577150 CVPKVOWFNMVNRI-UHFFFAOYSA-N 446.928 4.688 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(C[C@@H](O)c1ccc(Br)cc1)C2 2169745162 NJQYXUONCOMJGS-OKZBNKHCSA-N 438.362 4.620 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2174562804 PFIRIODOUAAZCU-IBGZPJMESA-N 436.394 4.932 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCOc1cc(Br)cnc1C#N)C1CCCCC1 2198810659 IODRNZUEXPNNOJ-INIZCTEOSA-N 438.366 4.958 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2235728586 RXZOMUGYJFSRSZ-QXAKKESOSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)cc1Cl 2248406022 UWKKITWUWKRIPW-UHFFFAOYSA-N 436.745 4.604 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CC(=O)C#Cc1cccc(Br)c1)C(F)(F)F 2278732647 KXXDITUSWMFDJE-OAHLLOKOSA-N 434.252 4.558 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)F 2296271364 DZGOPHASGSPIBX-QZTJIDSGSA-N 441.385 4.810 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296294900 YOBHWUIWLABDCP-OALUTQOASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NCC1([C@H](N)C#Cc2ccc(Br)cc2)CCCCCC1 2296305561 VQVOHRDQSLJPAD-LJQANCHMSA-N 435.406 4.993 30 10 IJEE COc1ccccc1[C@@H]1C(=C(O)c2ccc3ccccc3c2)C(=O)C(=O)N1c1cc(C)on1 2296596605 WQHCTEIBJMKBRV-HSZRJFAPSA-N 440.455 4.771 30 10 IJEE Cc1c(-c2nn(-c3ccccc3)cc2C=CC(=O)c2cc3ccccc3oc2=O)cnn1C 2297124320 VZHCDFGEWPOOQM-UHFFFAOYSA-N 436.471 4.584 30 10 IJEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)OCC=Cc2ccccc2)n[nH]1 2314007102 NGQZLCRJBCHFEE-UHFFFAOYSA-N 433.537 4.655 30 10 IJEE CC1CC(CS)(COCc2cc(I)ccc2Br)C1 2319153108 AWAPNEILRJKGGE-UHFFFAOYSA-N 441.172 4.916 30 10 IJEE COCCc1nnc(S)n1N=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2321911681 CLCVPUDAVMWENO-UHFFFAOYSA-N 436.512 4.509 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2cccc(F)c2)C4=O)cc1 2321937456 HSGWREKQWKUJGU-UHFFFAOYSA-N 431.463 4.845 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCC(C)C)CO4)C2=O)c(OC)c1OC 2322234977 WSFCZUSYKMKQHJ-UHFFFAOYSA-N 439.508 4.527 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4c(OC)cccc4OC)cc(C)c3C2=O)cc1 2322748813 YBLZXPLXHGIEHW-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)cc1 2322795200 KNPYGMHCPOVPHM-UHFFFAOYSA-N 432.403 4.756 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(OCC)c2)cc1 2323840237 CTRZAVXZZJKXIB-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)NCc1ccccc1 2324010183 ACQATQJDADIBBM-UHFFFAOYSA-N 445.515 4.604 30 10 IJEE C[C@@H]1CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)cc2Cl)C3=O)C[C@@H](C)O1 2324017420 OARVIZJMKPNOIM-CHWSQXEVSA-N 434.319 4.924 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC 2324234683 SKTTZKNTLPAYQG-UHFFFAOYSA-N 437.870 4.770 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC 2325556040 SXBRKRMKWIASFV-UHFFFAOYSA-N 443.805 4.606 30 10 IJEE CCc1ccc(OCCCc2nnc(SCCCO)n2N=Cc2cccc(C)c2)cc1 2326349063 MOVSYMDJHXFTDF-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccncc2)cc1 2326667229 BJWNUDCERCHOSU-UHFFFAOYSA-N 445.548 4.825 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2N=Cc2ccc(Cl)cc2)CC1 2328147370 SMADARIKDGPSQX-UHFFFAOYSA-N 434.009 4.855 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2N=Cc2ccccc2[N+](=O)[O-])CC1 2328202715 LZJAUTLPMQXFOX-UHFFFAOYSA-N 431.562 4.617 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCC)c(OC)c1 2329674005 STMHPGDXSXDMNT-UHFFFAOYSA-N 428.583 4.692 30 10 IJEE COc1cccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(F)cc2)c1OC 2331434719 QXJKTULSBFBHPJ-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Br 2331558812 FMUJXOKIXFNCGN-UHFFFAOYSA-N 425.225 4.565 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2cccc(F)c2)cc1OCC 2331563366 IZJKNJJBJPVKIM-UHFFFAOYSA-N 444.532 4.536 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1c[nH]c2ccccc12 2331709665 ZDCXPJSQWDDWGA-KRWDZBQOSA-N 446.580 4.735 30 10 IJEE C=CC[C@H](Oc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCN1C(=O)OC(C)(C)C 2335889212 WHEIQBFTRKRGSZ-HIFRSBDPSA-N 427.295 4.690 30 10 IJEE Cc1nc(N(C)[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2357063503 LFHMLKIDKAOBBI-CDNNERCOSA-N 448.416 4.509 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2358670786 BETUETVVGJZKCF-RAUXBKROSA-N 433.390 4.567 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@@H](C)c2cc(Br)cs2)n1 2362160706 WQOFPVISBZVLKN-ZDUSSCGKSA-N 437.212 4.711 30 10 IJEE C=CCN(C[C@@H](CCc1ccc(OC)cc1Br)NCC)C(=O)OC(C)(C)C 2364847878 CXYLNQNWPHYZEB-QGZVFWFLSA-N 441.410 4.792 30 10 IJEE CCCCC#CC[C@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366669715 IXUCHQAZVDDXQT-JSGCOSHPSA-N 425.763 4.601 30 10 IJEE Cc1cc(CNC2CC3(C2)CC(OCc2ccccc2)C3)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676709 ASNMRLXPVCSYQB-UHFFFAOYSA-N 447.428 4.912 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)N 2381199285 YGRHMYPFYKGPKQ-UGCQDJOBSA-N 434.378 4.990 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2ccc(C)cc2C)c(C)n1 32972853 AKUOEHDGWIXIQG-UHFFFAOYSA-N 446.599 4.682 30 10 IJEE COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)c1 37857361 XJGVJUPZYGTCIR-ZVHZXABRSA-N 431.488 4.658 30 10 IJEE CCOc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2cc(Cl)ccc2OC)cc1 46127461 HHMMVFDDUAWRDN-UHFFFAOYSA-N 438.915 4.540 30 10 IJEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc3c(c1)OCCCO3)n1ncnc1N2 72460251 ODZLFAMMXUOPNE-HJPURHCSSA-N 448.910 4.509 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(C)cc1 169944694 MXCPLEXGDXHBCV-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)c1 170133004 SKGXJVZDTQNUGT-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1cc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)c(OC)cc1Cl 170181262 IMVLLGHHJYWMIM-UHFFFAOYSA-N 441.940 4.506 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3cccnc3)oc12 170183313 BPIVKLNUNORDSV-HXUWFJFHSA-N 446.484 4.676 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(OCC)c1 170218386 RXTWPVAXPFGVTD-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170247020 LKSZMDHTCNALQV-NRFANRHFSA-N 435.476 4.601 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccco1 170286045 JZXZXRXIMARVQH-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccco1)c1ccc2c(c1)CCCC2 170297369 HPLPLLQDKOWPRJ-QFIPXVFZSA-N 439.471 4.818 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)o2)c1 170299598 ZTSVXLUPKAQLJK-NRFANRHFSA-N 437.423 4.527 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)c1 170300287 OTYSGJFQKUZKTD-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(OC)c(O)c1 170322457 MOKUWKBKIHMTNU-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 170345272 ISYZKZNBJMCEKK-OAQYLSRUSA-N 446.484 4.507 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2sccc2C)cc1OC 170405390 RYWRFQKGAPWKGQ-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)o1 170424744 LBYHNJKZPGJZIX-LJQANCHMSA-N 442.393 4.780 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC)c2)cc1 170429785 VSXRLOHXPHUNHA-HSZRJFAPSA-N 446.503 4.917 30 10 IJEE CC(C)CCOc1cccc(OCC(=O)N=C2N=C3C=CC=CN3Cc3ccccc32)c1 254736879 IHYLVYWGTHFAKQ-UHFFFAOYSA-N 429.520 4.761 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 399687880 UGBMYKWYVPCUFH-FTJBHMTQSA-N 446.444 4.533 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 442275005 NXIFUNYTSCBIBI-SFTDATJTSA-N 445.485 4.986 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1Cc1cccc(F)c1 460375549 PUWHNOQMQLUGJF-IBGZPJMESA-N 444.514 4.521 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1Br 487934194 KDIOHYBULOFVNN-UHFFFAOYSA-N 436.256 4.674 30 10 IJEE COc1ccc(OC)c([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526492308 WULNEQAJSITKGQ-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ncc(Br)cc1Br 546061165 LFHZBXCFRMJQOB-UHFFFAOYSA-N 428.099 4.574 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 549251214 PVAODDMHQWCFLT-IEBWSBKVSA-N 445.995 4.533 30 10 IJEE CC(C)(C)[C@@H]1CCS/C(=N/CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)N1 705692328 OMTNICNMFFNIFL-QHCPKHFHSA-N 437.653 4.955 30 10 IJEE CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C(F)(F)F)c1 732698941 PJXQMKPYHKCMKS-UKRRQHHQSA-N 426.508 4.800 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C(/C)c1ccccc1C(F)(F)F 759237708 LIEGMLPFMSYREL-UILAEWCASA-N 446.425 4.822 30 10 IJEE COCCOc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(Cl)c1 769956603 DXYSTTSLVUILGY-UHFFFAOYSA-N 426.925 4.895 30 10 IJEE CC(=O)N(c1nc(COC(=O)C2(c3ccc(C#N)cc3)CC2)cs1)c1ccccc1F 781391677 HAMDDYMINTULSI-UHFFFAOYSA-N 435.480 4.613 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1csc(-c2cccc3ccccc23)n1 786572717 ZRJMJGAWODIIGU-GOSISDBHSA-N 447.466 4.880 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 796778145 FRCGJKHRYAVBDR-FZKQIMNGSA-N 446.475 4.566 30 10 IJEE C#C[C@H](NC(=O)c1cc(O)nc2ccc(Br)cc12)c1ccc(Cl)cc1F 804423913 CABQMVAJNXCLJS-INIZCTEOSA-N 433.664 4.600 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)cc1 806229033 RRGAREMVEQUGDS-VWLOTQADSA-N 447.579 4.787 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 812689819 PTZVOJFGOWAQOD-SFHVURJKSA-N 436.512 4.571 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 838540462 HYXNJBMTESYGTO-QGZVFWFLSA-N 437.899 4.907 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccc(F)cc1)c1ccc2c(c1)OCCO2 1124426043 QCBWJNVGHNFYBC-UHFFFAOYSA-N 449.478 4.774 30 10 IJEE CCNc1ccc(C#N)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1137525723 FNYSHAKNKJWZOU-UHFFFAOYSA-N 426.455 4.629 30 10 IJEE C/C(=C\c1ccccc1)CN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1138232131 YTHBRABIUZYPNG-SIAYCOCNSA-N 445.563 4.954 30 10 IJEE C=CC1(CC(=O)N2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CCCCC1 1141808752 RBFIGWYXRYKRFT-UNMCSNQZSA-N 434.621 4.824 30 10 IJEE CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)c1C 1165248257 ASYAAEBHYXFUQJ-UHFFFAOYSA-N 449.532 4.799 30 10 IJEE C=C(CCC(=O)OC)C(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 1178734918 ZENSHVDKBQVAFJ-UHFFFAOYSA-N 438.593 4.613 30 10 IJEE C=C(C)CCNCc1ccc(OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OCC)c1 1178769278 KNWOUGZJPFVYDZ-RLWLMLJZSA-N 428.617 4.947 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccsc2)nc2sc3c(c2c1=O)CCCCC3 1187972338 MOYRIALMIOPESI-KRWDZBQOSA-N 446.619 4.981 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@@H](C)C3 1188455664 SYUZDXJFSJIEOH-KUHUBIRLSA-N 442.606 4.610 30 10 IJEE C=CCN(C)[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 1193607391 SYZICVMJUOKJEP-HRAATJIYSA-N 426.582 4.847 30 10 IJEE C=CCOCCCNCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1203149258 GVXKESLZPZDQMH-UHFFFAOYSA-N 426.358 4.984 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(F)c(Br)c1)c1ccc(Br)cc1 1215514834 DDDOMEIYIHSMRK-HNNXBMFYSA-N 426.083 4.847 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2nc(Cc3ccccc3Br)cs2)cc1 1216109745 AIRWVRVVJCEHPL-UHFFFAOYSA-N 427.327 4.690 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)CC(C)(C)C3)cc21 1220204381 LIEQOKSQUVCJDV-LJQANCHMSA-N 441.576 4.770 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1cc(C)cc(C)c1 1224649570 HGVUKGBJHWQWIO-UHFFFAOYSA-N 435.337 4.982 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)c1ccccc1 1230489170 LNWVRTTZWDISBW-OZXSUGGESA-N 426.516 4.735 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)OCc3ccc(-c4ccccc4)cc3)CC2=O)cc1Cl 1264050833 CPPFGQVLOMSZBZ-OAQYLSRUSA-N 430.891 4.975 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 1265258392 CHGAJITWXWRRHU-UHFFFAOYSA-N 437.805 4.904 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(CCC#N)CCC(C)C 1286339606 PKFWKFSNGVISNC-UHFFFAOYSA-N 428.378 4.887 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccccc1C 1286500680 BXOXCTHIDKGAKD-QGZVFWFLSA-N 425.989 4.866 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286538908 UAGXJTPCUSEHGC-FUHWJXTLSA-N 435.366 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@](C)(O)c1ccsc1 1286568294 SJAMFCYFFRVDHM-GAJHUEQPSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC[S@@](=O)C(C)(C)C 1286569989 JEXCKXHOCPSFET-SSEXGKCCSA-N 428.646 4.698 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCN(C2CC2)C1 1286572036 XPNHKSHYQDKVKD-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCC[C@@H]2C)CC1 1286654437 JPMHALYLWLHMFG-KSFYIVLOSA-N 445.405 4.661 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCc2cccc(Br)c2C1 1286710230 QITZEDJGFDCSDV-UHFFFAOYSA-N 445.405 4.854 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(C)(F)F)C1 1286802829 WPUMYQQHQYWECH-RDJZCZTQSA-N 436.572 4.958 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1286833275 YRMQKOAPLYQVKU-SFHVURJKSA-N 446.642 4.600 30 10 IJEE CC[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](CC(C)C)N(C)C 1291480571 DVMAIYOVLHSHAR-GBXCKJPGSA-N 434.632 4.933 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1300863456 OLUXLQRCAQWSQY-NRFANRHFSA-N 440.389 4.787 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)CC1 1300876019 PGQILOOGQWVRIN-KBXCAEBGSA-N 440.897 4.954 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nnc(C)s1)C1CC1 1301331884 XYKXSZXDRGMYAB-UHFFFAOYSA-N 438.601 4.518 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC=C(C)C1 1301600583 DNTGQKMXEOFAAL-UHFFFAOYSA-N 425.421 4.845 30 10 IJEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CCSC)cs1 1306017938 GXAKSYCJIXXSTB-INIZCTEOSA-N 440.642 4.656 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CCCC1(C)C 1310712125 WSBROTQHXMANMC-HNNXBMFYSA-N 443.285 4.798 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 1312805323 DNZTUIRKWIEKGN-OAQYLSRUSA-N 429.351 4.848 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCc1ccc(C(C)C)cc1 1348257099 FFFPODJKBSJZSP-UHFFFAOYSA-N 445.357 4.581 30 10 IJEE C#CC[C@]1(C(=O)OCc2sc(-c3ccccc3)nc2C)CCCN1C(=O)OC(C)(C)C 1352994732 JNFMLLRWXSIWSZ-XMMPIXPASA-N 440.565 4.955 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(Br)nc(Br)c2)c(OC)c1 1353763503 WTUPKABFFPEKGB-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)CCCN1C(=O)OC(C)(C)C 1353765085 YTGVERKFOHDTTL-IBVKSMDESA-N 439.600 4.650 30 10 IJEE CC[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1cccc(Br)c1 1353934445 DAMRSKFXYGETNW-LBPRGKRZSA-N 440.263 4.733 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 1357176584 SRCDGYDUOQOIRD-BGYRXZFFSA-N 438.543 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOC)CCC1 1358878881 GPNWLQLEEPHEPF-QGZVFWFLSA-N 445.405 4.681 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H]1c1cnn(C)c1 1359080871 HDIHTLVWNCNDSM-KRWDZBQOSA-N 447.768 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CC)Cc1ccc2c(c1)OCO2 1359098765 FREPBMRLOQLXIK-WMZHIEFXSA-N 440.588 4.603 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)C1 1359136518 LASWMJWPNVINSL-UHFFFAOYSA-N 447.313 4.602 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1359158923 ILUQQKUAPZVBBE-CNNODRBYSA-N 426.536 4.695 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(F)cn2)CC1 1359161471 FNRWCBAZTRCXMO-UHFFFAOYSA-N 442.336 4.755 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1359165953 ANUBORUYISAWRY-NBGIEHNGSA-N 425.596 4.675 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCOC2CCCCCC2)CC1 1359168845 LCLIXMJSXGVDAD-UHFFFAOYSA-N 428.552 4.892 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)CC1 1359169618 OSAGFTKTAIPXQS-AQNXPRMDSA-N 427.593 4.562 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC=CO2)CC1 1359175736 XSKHDBLDKYWPKQ-HNNXBMFYSA-N 435.391 4.864 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)OC(C)(C)C1)c1ccccc1 1359195196 IUSKFHVVQXOFKN-FYYLOGMGSA-N 448.615 4.503 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 1359199607 BQTZJEZXUPMABA-UHFFFAOYSA-N 445.970 4.589 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C 1359264910 SHSNBTCNKUNSPF-QHAWAJNXSA-N 443.661 4.875 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1359289958 XGBIZDFWJBGDJJ-RDJZCZTQSA-N 439.387 4.991 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 1360659605 JWQVHOJBYJFRGV-HOIFWPIMSA-N 444.984 4.640 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)c1 1435374915 DTNGHGVWZUYJNB-JOCHJYFZSA-N 431.923 4.799 30 10 IJEE C#CCOc1ccc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 1456360460 NNGRYVXQTFOZCX-UHFFFAOYSA-N 426.394 4.835 30 10 IJEE CC(C)c1nn(-c2ccccc2)cc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1458220013 FESWBXQXUZZCEA-UHFFFAOYSA-N 430.899 4.959 30 10 IJEE C[C@H](CC#N)NCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 1460313658 FDKVLJIAMZCFFB-KFMFDWLMSA-N 448.517 4.980 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1 1465381674 RVIWFDKBTBSBGK-RCZVLFRGSA-N 448.494 4.963 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1466110777 RKUPORVPQVTWQI-MSOLQXFVSA-N 439.275 4.986 30 10 IJEE C[C@](O)(CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(F)c1 1466229293 DVSRRFFAIMITBT-WBVHZDCISA-N 438.343 4.655 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)c1ccccc1OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1468418537 ARKBCHYNTWXZCC-NRFANRHFSA-N 443.588 4.581 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1C)c1ccc(Br)cc1 1469801808 KQJOQMZADRMWQR-KRWDZBQOSA-N 425.248 4.950 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1471202735 BBZZQUABEAMVGH-SQJMNOBHSA-N 443.588 4.505 30 10 IJEE CC(C)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(Br)c1C#N 1475086795 HMYOXGNGEICBAJ-UHFFFAOYSA-N 427.751 4.825 30 10 IJEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1493026548 DULXGTLNXQQVIH-JTHBVZDNSA-N 448.571 4.509 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCCS1 1498080413 AIBRWARGPKMCFD-YKSBVNFPSA-N 439.629 4.835 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1499453059 FTEOSSDYEFXBNC-XPNTWCBSSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCN1CCCC 1507526643 DHNICAJFFCYSBC-LEWJYISDSA-N 432.616 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(COCC(F)(F)F)cc1 1507543426 WJVXZFPLRKOHAB-MRXNPFEDSA-N 448.514 4.516 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1507575325 FLYUGAILOXMDSK-HZPDHXFCSA-N 433.781 4.867 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C)=C(C)C1 1507745288 ALVKAEFHSJGPPG-FQEVSTJZSA-N 440.613 4.730 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CCc1cc(Br)ccc1F 1507760741 AHRXLWYPEQPPPY-YCRPNKLZSA-N 433.369 4.928 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1507829538 BEXMATRHLFJJOV-ZCNNSNEGSA-N 429.609 4.738 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1507856825 DYGWUKWZTOSAFA-UXHICEINSA-N 444.023 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1507913953 BPMCZMSKVSWJSJ-UHFFFAOYSA-N 441.595 4.618 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(OC)C1 1507941947 KTULUAJEUSWJQH-SFHVURJKSA-N 425.396 4.741 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507978480 NGMOPAQKUOUOIU-UHFFFAOYSA-N 434.544 4.666 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OCC 1508006632 ISLMCQWCTHFQTF-FQEVSTJZSA-N 439.585 4.616 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1cccs1)N(C)C 1508415153 CEELMMYSDMTDHN-CRAIPNDOSA-N 428.993 4.559 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2CCCC2CCOCC2)cc1 1511043589 CMSRJIZYGHMRRI-UHFFFAOYSA-N 439.629 4.826 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nnn(-c3cccc4cccnc34)c2C)C(F)(F)F)cc1 1521343831 KYNDLYLRLOJOLX-NRFANRHFSA-N 436.393 4.566 30 10 IJEE C=C(C)C(C)(C)C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1523059088 NDFXEAIDLKGAHO-GXDHUFHOSA-N 427.353 4.748 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1 1523499284 UMSNJYWTSZBQHX-ROUUACIJSA-N 447.000 4.982 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1526452316 KJOQPZNMIHAOIK-IBGZPJMESA-N 434.989 4.854 30 10 IJEE C#C[C@H](NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccc(Br)cc1 1528080365 IEAIUHHILKLUOG-INIZCTEOSA-N 433.277 4.955 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)cc1 1529135838 QXVSNDSERHJRRJ-DHIUTWEWSA-N 448.613 4.827 30 10 IJEE C=C[C@H](OC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1)c1ccccc1 1532387702 NOWOFXVXSNOBIU-QFIPXVFZSA-N 427.566 4.808 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1535504791 MGAJGMHQFPCTLH-NRFANRHFSA-N 444.934 4.993 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1CCC(C(F)(F)F)CC1 1538987660 VOYWJZCOZPXZDK-HLIUYOAVSA-N 425.886 4.820 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H]1CCCCO1 1539049303 KIUUQZOCGQYKAR-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1539059011 MMWSFTVFJDPJDU-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1539068596 XWJGFBOSKVYFFP-HSZRJFAPSA-N 442.611 4.553 30 10 IJEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1539084966 GMDBEYCEUNUZJG-RFWXGWTQSA-N 436.556 4.749 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCC1(C)C 1539401195 WPWDRYQTDHBXNY-FQEVSTJZSA-N 431.584 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CCCC1 1539567019 RUPGBNWWOMREMQ-RUZDIDTESA-N 436.600 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCOc1ccccc1 1539652565 YJAVKRYUZDDDTP-UHFFFAOYSA-N 444.377 4.907 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCSC(C)C)CC1 1539847574 HUKKQCKMAMGOPI-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](CC)OC)CC1 1539882024 DAZYUPMAMLUGDZ-INIZCTEOSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CCC(N)=O)CC1 1539906334 MGGFNOFCGCVELU-UHFFFAOYSA-N 435.572 4.776 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1c(C)noc1C 1540125895 BZJPCQJRYOKSMC-AVRDEDQJSA-N 435.572 4.773 30 10 IJEE C[C@H]1CCCN(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)C1 1541106960 DDUYDLOXJUXFQT-HOTGVXAUSA-N 435.403 4.580 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C2CC2)cs1 1541805966 AZQSAXKHJJRUEN-CQSZACIVSA-N 442.976 4.631 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 1545339746 CNKZPJINLRAJSE-PBHICJAKSA-N 448.951 4.817 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(n1)CCCC2 1545719251 CQSRQGQZOQIKMT-CVDCTZTESA-N 428.584 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 1556399282 IKLFELVUCXTYDQ-BVAGGSTKSA-N 429.564 4.926 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1561401928 FFRGLHDMBMQHPI-OAQYLSRUSA-N 449.498 4.936 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 1564913791 USOJQZIEHDZVRL-REWPJTCUSA-N 437.971 4.985 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1Br 1585877602 BTJSYYBQIJBMPC-UHFFFAOYSA-N 433.733 4.759 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1oc2ccc(F)cc2c1C 1588200685 ZLRGZPGDRVQQRB-UHFFFAOYSA-N 447.901 4.698 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1589304042 CRZHFRHXHLQFFA-FUMNGEBKSA-N 445.405 4.590 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1594499113 ZUBVLAYSZVDACW-GMAHTHKFSA-N 437.632 4.880 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1595065764 XLWAWVDOQXJQFO-UGKGYDQZSA-N 438.616 4.861 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C=C)CC1 1595659398 XQYXGYJNMKXRJA-UHFFFAOYSA-N 435.597 4.649 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)c1ccc(C(F)(F)F)cc1 1597058279 PMZLLUUPOCNNKS-GOSISDBHSA-N 431.458 4.921 30 10 IJEE C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)[C@H]1CN(Cc2ccccc2)CCO1 1620809553 DVFALALXOCXWAA-SKCUWOTOSA-N 441.575 4.516 30 10 IJEE C=CCCn1cc(CN2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)nn1 1621513000 AHISUWKJZZILTJ-KNQAVFIVSA-N 431.625 4.540 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 1624706238 KFAIRQRDUBTGRG-UHFFFAOYSA-N 436.475 4.646 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc2c(Br)ccnc12)C(C)C 1624862950 QWEWANBVZPMIEZ-LJQANCHMSA-N 431.378 4.817 30 10 IJEE C#C[C@H](NC(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1)c1ccc(Br)cc1 1625078389 XEAOANNQUJPUHH-FQEVSTJZSA-N 442.353 4.938 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 1625173333 XHNMTOJZLBZHNN-HNNXBMFYSA-N 431.539 4.651 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nc(-c2cccc(F)c2)no1 1625538278 FQZJGDHZUYEFLH-UHFFFAOYSA-N 447.264 4.525 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)CC2)cc1 1627505437 CNJRZRZTEPXUPH-UHFFFAOYSA-N 440.503 4.861 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccnc2[nH]c(CC3CC3)nc12 1627695116 KUZVRAHONXVMTN-UHFFFAOYSA-N 443.320 4.640 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1)c1ccc(Br)cc1 1628707050 GVZCGBNGPALLPI-HNAYVOBHSA-N 445.357 4.980 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl 1630118821 JGYZPEPQIAZKGD-DAYGRLMNSA-N 427.397 4.555 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 1633260447 GCECOQPSQSWBGE-FQEVSTJZSA-N 444.384 4.972 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 1634604106 NUKLSYKADVKCDL-LJQANCHMSA-N 432.561 4.759 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(C(C)(C)C)cc4cccnc34)ccc2c1=O 1635110732 AKNPWKXQFTZUOB-UHFFFAOYSA-N 444.560 4.969 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)C1 1640066260 LQKIVNAWZOQEIM-KRWDZBQOSA-N 432.973 4.593 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2sc3c(c2c1=O)CCC3 1640684033 OSRXKEXWVXMFFH-LJIGWXMPSA-N 445.654 4.554 30 10 IJEE C=CCn1c(SCC(=O)N(CC(C)C)CC(F)(F)F)nnc1-c1cccc(Cl)c1 1641019006 HKSNZGOPWPKLQN-UHFFFAOYSA-N 446.926 4.924 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(NC(=O)c3cccnc3)cc2)cc1OC 1649041887 AZMCUXDVLRQJEC-UHFFFAOYSA-N 437.927 4.851 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 1658023781 OPFFZWIWEDGYBS-QUCCMNQESA-N 441.645 4.697 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)[C@@H](C(=O)OC)c2cc(F)c(F)c(F)c2)cc1OC 1658999093 JLTFUEPOPIENRH-LJQANCHMSA-N 443.849 4.677 30 10 IJEE Cc1c(S(=O)(=O)NCc2ccccc2OCC(F)(F)F)sc2ccc(C#N)cc12 1659661456 CSKZLZXFIHVFQR-UHFFFAOYSA-N 440.468 4.501 30 10 IJEE CSCc1cc(F)ccc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1660131584 IEBGHZQRNIAFRG-UHFFFAOYSA-N 429.908 4.721 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)cc1Br 1661643664 CKLZSXFWPPFVSF-CYBMUJFWSA-N 431.359 4.677 30 10 IJEE N#Cc1ccc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1Br 1661644029 FUKCTERIFVQNAT-UHFFFAOYSA-N 430.693 4.863 30 10 IJEE Cc1c(Cl)ccc2c1N(S(=O)(=O)c1cc(Br)c(C#N)cc1F)CCC2 1662266983 DXWMSBJQVJSECE-UHFFFAOYSA-N 443.725 4.563 30 10 IJEE CCCCC1CCC(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1667377638 AVFJYVLXZHOAHN-UHFFFAOYSA-N 448.615 4.777 30 10 IJEE COc1ccccc1C1(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCC1 1667654910 ANXDDTCHOJTZDU-UHFFFAOYSA-N 432.549 4.858 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)CC1 1667705176 QNXQVGNFOLNVRD-UHFFFAOYSA-N 427.932 4.552 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1ccc(C(F)(F)F)cc1 1668177205 ROQYOTMCZGIUJH-OAHLLOKOSA-N 444.431 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1670933101 RJGGSYLBYFGLAU-GOSISDBHSA-N 436.365 4.607 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1CCCO1 1671891045 CIOBEDHHHUDFMH-IRXDYDNUSA-N 449.498 4.932 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1ccc(F)c(F)c1 1681037860 NJBRZSXQWZTDCL-JOCHJYFZSA-N 427.426 4.753 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CCOC)c1ccc(C)o1 1681094877 QYABYTWUNPFASB-GOSISDBHSA-N 439.325 4.965 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1689841797 OBZUDWXQDOXUTL-OXQOHEQNSA-N 430.618 4.588 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C)C1CCCCC1 1690059383 PBFAPBXYBTVMET-IBGZPJMESA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1csc(C)c1 1690066645 KVHOSWJJKACCBR-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC[C@@H]2CC)CC1 1690111767 JQCMZSUJNSGUPQ-KMDXXIMOSA-N 449.643 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1c(C)sc(C)c1Br 1690262503 CHHXPISPMMDTPG-UHFFFAOYSA-N 447.406 4.627 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690281263 DOWNQDSPHMMTPX-MAUKXSAKSA-N 431.968 4.524 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C2CC2)C1 1690463005 SYGXYOKSPDYOJR-LEWJYISDSA-N 443.636 4.985 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)C1CCCCC1)C1CC1 1690549911 MVIKKAQHTKHUMA-SANMLTNESA-N 438.616 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCN1CCCC[C@@H]1CC 1690576389 ZCTJOJYUEKZLFH-FQEVSTJZSA-N 436.629 4.859 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C)(C#N)CC1)C(C)C 1690580746 FEOBAFYFGZQRQU-NRFANRHFSA-N 436.604 4.675 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)OC 1690605753 VZDOFDHMQFFOMV-MRXNPFEDSA-N 445.361 4.571 30 10 IJEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CC[C@@H](F)C1 1692154873 CSHWALOSDKIJOM-WOJBJXKFSA-N 425.552 4.534 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccccc1 1692658639 BFNLLSBHBMHUBA-AVRWGWEMSA-N 449.624 4.922 30 10 IJEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)o1 1694581909 GMLABJBRSHDGFJ-QGZVFWFLSA-N 448.571 4.508 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1705510512 QXZAZIDNIOMWGD-ROUUACIJSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1705525159 ZNXYHPVMXWHDNJ-BWAGFHJFSA-N 440.563 4.755 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1705781093 PILHWUJLNIRABB-LJQANCHMSA-N 431.625 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)nnc1C(C)(C)C 1705802536 NYXJLVAMFAZYDI-SFHVURJKSA-N 443.640 4.568 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCSC2(CCOCC2)C1 1705807422 CJHWFDKAQZNIDF-UHFFFAOYSA-N 448.583 4.606 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CCc1ccc(Cl)c(OC)c1)C1CC1 1705855436 GOYHFEQTOADQRZ-UHFFFAOYSA-N 428.989 4.990 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(O)c1ccsc1 1705861468 GUSPANIWXRLGDI-ZJSXRUAMSA-N 438.597 4.682 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC12CCOCC2 1705869698 BMBOXAQCEDXUFG-MOPGFXCFSA-N 426.536 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1CC1(N2CCSCC2)CCCCC1 1705875725 DIFYBICPEDYVAV-UHFFFAOYSA-N 431.694 4.797 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)cc2F)C1 1705920813 FRCZQMMEYDFKDD-KRWDZBQOSA-N 448.329 4.616 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)c1cccs1)N1CCCC1 1708780875 HXQNVWTYPJQUIH-RXVVDRJESA-N 434.613 4.950 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722282876 PFBVBKBCYFOLHI-XGHQBKJUSA-N 430.980 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 1722303255 OAPLYDXUTNOEIH-AWEZNQCLSA-N 435.380 4.926 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1722338143 MGRWSSVXNYBOEN-QHCPKHFHSA-N 449.643 4.633 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(C)C)C1 1722452377 TXLZWGLYIMZSJI-RTBURBONSA-N 430.593 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[C@H](C)C1 1722507040 WYGBAZRWPOPOIJ-ROUUACIJSA-N 428.577 4.810 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1722519526 JZXLNVBNOIUPGV-PMACEKPBSA-N 438.576 4.520 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C)CCCC)CC1 1722575914 BOTZGGQFKCZTSO-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(CCC)CC2)CC1 1722583074 POWRQSWPSJJGBS-UHFFFAOYSA-N 443.586 4.672 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2cnccc2c1 1722625438 QJHASYKEXNVSIV-UHFFFAOYSA-N 448.958 4.771 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@H](C)C1 1722667291 CZGLTVIBLNQGMH-CABCVRRESA-N 437.407 4.763 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCCC1(C)C 1722673885 IAVDISIZBXRAQD-DEOSSOPVSA-N 440.613 4.700 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1723761838 GKWNEWWAIKJHBQ-HNNXBMFYSA-N 447.568 4.804 30 10 IJEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)CCO1 1727332641 BDZNPDKGJMSESP-CJFMBICVSA-N 437.588 4.560 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCCCC1 1740753144 GDVFQCUOZUDCIA-FDDCHVKYSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)Sc2ccccc2)CC1 1740835539 GSNOLRBOBFTZLA-CYFREDJKSA-N 442.629 4.513 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1740847414 HYEVWMDPNHLRLE-QFIPXVFZSA-N 447.583 4.940 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCN1CCC)C1CC1 1740908390 WBJIRXPEIUMUEP-FQEVSTJZSA-N 444.421 4.737 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCOc1ccc(Cl)cn1)C1CC1 1740912015 NVFPJPGSNCFSPG-UHFFFAOYSA-N 444.366 4.805 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2CN2CCCCC2)C1 1740972939 PABNPWOYHRTXKE-QPPBQGQZSA-N 437.632 4.607 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCSC(F)(F)F)C1 1740976006 RQKLMTDPPJWQOK-KRWDZBQOSA-N 426.508 4.542 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCCS1 1748828818 MWSPOEXBACHVHZ-HXUWFJFHSA-N 447.633 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1CCCCC1 1748867594 JZVFQJJQEKZHCV-OAQYLSRUSA-N 434.584 4.860 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1748938772 CCOABXDYLQWKHD-OFVILXPXSA-N 439.673 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1csc(C(C)(C)C)n1 1749060745 BBWZRSHZOPRIOC-RUZDIDTESA-N 444.608 4.806 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H](C)CC 1749097421 ATHJFEDJPAKJTP-AWEZNQCLSA-N 430.350 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)=C(C)C1 1749133988 SPKUFICNRJADFU-JPYJTQIMSA-N 428.527 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1749156071 QRWROGYOHDTROV-WOJBJXKFSA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccsc2Br)CC1 1749294074 MPLDWNNNTKRVKH-UHFFFAOYSA-N 445.386 4.982 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[C@H]2CCOC2)CC1 1749309819 OLUGHHMZITZKMK-FQEVSTJZSA-N 445.007 4.835 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CN2CCCCC2)C1 1749413169 RTQQHUPYBPUBNK-NHCUHLMSSA-N 441.595 4.836 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCSc1ccccc1 1749467483 PZKOXMQGVUTZCW-UHFFFAOYSA-N 446.418 4.851 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](OC)c1ccc(F)cc1)C1CC1 1749512103 SKDXJQKQXAMDMO-IBGZPJMESA-N 427.911 4.675 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CSCCS1 1749529464 DJEFVBWKHHZXSF-HXUWFJFHSA-N 446.686 4.917 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1CC(C)(C)C1 1749531923 NXONSUJPPPYRDO-UHFFFAOYSA-N 426.568 4.764 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCCC2)c1 1751444064 CGDAEDNHTUFMIM-NRFANRHFSA-N 438.620 4.513 30 10 IJEE C[C@H]1CCCC[C@@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1 1752113816 BLCGNEHHVKIJJA-RXVVDRJESA-N 439.629 4.744 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](COCC)C1 1760145655 SKWPXHUZMPIIBQ-UXHICEINSA-N 445.007 4.965 30 10 IJEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1760284186 IIJRIDSXFHFGRM-GOSISDBHSA-N 431.565 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1ncc(C)s1 1760299339 REMITHLLCBLRMB-VEBYGKHWSA-N 441.645 4.757 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 1760320389 UQWPPJJVLGOPNP-HNAYVOBHSA-N 438.469 4.844 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1ccccc1 1760350808 TVEWBYGZRQEJLM-UHFFFAOYSA-N 444.377 4.655 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCOCC(F)F)CC1 1760382316 NUYHOZAWTPSPKG-INIZCTEOSA-N 440.922 4.900 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN(C)CC(F)(F)F)CC1 1760384505 ADMGMIXEIBDMEL-UHFFFAOYSA-N 448.320 4.902 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1760393756 YGNMXBHZQCYNSK-RTWAWAEBSA-N 440.588 4.617 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCCCC1)C1CC1 1760471358 TYTHPOMGSNKPDD-LJQANCHMSA-N 441.595 4.977 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760532145 LYUVIEOARKSRRT-VXKWHMMOSA-N 437.632 4.717 30 10 IJEE CC(C)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 1760811565 BLSKZTCCVRLFTB-UQNRQAKVSA-N 445.608 4.678 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)OCCc3sccc32)cc1 1762555285 GLLIQXMTJWLDKZ-MZNJEOGPSA-N 435.597 4.795 30 10 IJEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCC(C(F)(F)F)CC1 1772515455 HOONJUHICZGWAS-UHFFFAOYSA-N 442.489 4.569 30 10 IJEE COC(=O)c1ccc(Cl)c(NC(=O)c2nc(-c3cccc(C#N)c3)n3ccccc23)c1 1858331502 ROJQFLMHSDHPNE-UHFFFAOYSA-N 430.851 4.565 30 10 IJEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccccc1 1860949555 NDHVLPHVLYBRLC-QFIPXVFZSA-N 444.922 4.657 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C(C)C)cc1 1862408461 MIAOZHMHEUOHAP-QHCPKHFHSA-N 436.552 4.837 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1F 1862505194 ABGLRXYAAJOLTN-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(O)c1 1862507001 CTPAKCLDULAVEF-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862556138 PPLRIWDNVXTPKI-DEOSSOPVSA-N 442.515 4.618 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(F)cc2F)cc1 1862662554 ZCPWDUCNFBTJBN-JOCHJYFZSA-N 443.490 4.829 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862684200 ZTKLHFMZPTZJHX-PKOBYXMFSA-N 449.400 4.602 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1 1862693637 PUEOXZUIPYRZIA-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE CC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866972383 ACYPXJQGMCRZDT-QUCCMNQESA-N 442.357 4.594 30 10 IJEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1870105712 FUSIYOGMGMKMKV-UHFFFAOYSA-N 431.540 4.602 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870110977 QYIJQQHGEVQTDS-QWHCGFSZSA-N 446.725 4.900 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN(CCC)CCCC 1870459160 KTRGATPUYKBQHQ-UHFFFAOYSA-N 428.573 4.513 30 10 IJEE C=CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870810744 PQECJZLHPIXZIE-DEOSSOPVSA-N 431.536 4.948 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H]2CCCO2)c(C)c1 1871252349 WPLJJJWJSDGPOM-DEOSSOPVSA-N 443.547 4.707 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)cc1OC 1871374593 SJEQMWWCIORAGZ-UCQKPKSFSA-N 448.446 4.916 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871430155 AWQLDOSAJNMBSS-BKUYFWCQSA-N 445.462 4.932 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871789823 JSMKXORVFYJSBO-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)CCCC 1872429250 KBWHSRWNRAPSGT-IBGZPJMESA-N 447.066 4.717 30 10 IJEE COc1cc(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)c(OC)cc1Cl 1872782038 BLSRWKOAOHWWEB-AWEZNQCLSA-N 443.868 4.879 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccc(Cl)c2Cl)C(=O)N(Cc2ccncc2)C1=O 1873334084 MCDSIBWWOFIOFY-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE N#Cc1cccc(Nc2nc(N3CCc4ccccc4C3)nc3c2cnn3-c2ccccc2)c1 1873484570 WUEKGUAJMDDIBY-UHFFFAOYSA-N 443.514 4.993 30 10 IJEE Cc1ccc(CSc2nncn2/N=C/c2c(C(=O)O)[nH]c3ccc(Cl)cc23)cc1 1873501919 VTQMUGGNHXAVRA-NUGSKGIGSA-N 425.901 4.594 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc2c(c1)OCCO2 1874300073 HBWCVAGGTHVPIY-ZVHZXABRSA-N 438.553 4.629 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccs2)c1C 1874489053 YEPFMFHDHABFDV-WSDLNYQXSA-N 427.599 4.768 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCCO)cc1 1874579865 MJNQGQWLQBICDW-RMKNXTFCSA-N 435.314 4.514 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1F 1874621402 FETDVYVBZWCIFK-XYOKQWHBSA-N 430.435 4.958 30 10 IJEE C#CC[C@@H](C[C@H](NC)c1cc(Br)ccc1I)C1CC1 1887490993 XXHYMYCGTGTFIW-LRDDRELGSA-N 432.143 4.754 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@@H]2C[C@@H]21 2008450001 WWHHHJZJCDAXTO-KFCXZAFISA-N 431.508 4.859 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2cccc(Br)c2Cl)C1 2063052601 ZSXSRMCNBDDFSY-HNNXBMFYSA-N 430.770 4.867 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2Nc2cc(Br)cnc2C#N)CC1 2167616258 CHMPAMLVJVHJPK-QGZVFWFLSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2cc(Br)cc(F)c2C#N)C2(CCC2)C1 2174821353 HETHBBFAZCHCKK-CYBMUJFWSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)C1 2181155165 NFVHPYPSLHOLGI-ZIAGYGMSSA-N 436.350 4.590 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CCC 2224263410 WKNDDBURTZBZOY-PBHICJAKSA-N 429.403 4.566 30 10 IJEE CC(C)(C)OC(=O)NCc1ccccc1NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255845100 GYNROMLMTZCUFU-CALCHBBNSA-N 430.354 4.522 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 2258096618 AWBSLUVKFKRYSY-UHFFFAOYSA-N 443.755 4.997 30 10 IJEE CCCN[C@@H](CC#CC1CCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2261102057 ZPDCZDQVWDBIMK-VWLOTQADSA-N 441.660 4.965 30 10 IJEE COc1cc(C(=O)N(Cc2ccccc2)CC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267147741 WQGHXZWNZCWPCK-UHFFFAOYSA-N 437.389 4.683 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267208373 YHAMAOUEGCJBMD-UHFFFAOYSA-N 443.343 4.953 30 10 IJEE COc1ccc(Oc2c(Br)cccc2C#N)cc1I 2269750073 VVSYWINAEPYESV-UHFFFAOYSA-N 430.039 4.726 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1sc(NC(=O)OC(C)(C)C)nc1C 2278730008 JIWMNXUPFBMETA-OAHLLOKOSA-N 436.375 4.873 30 10 IJEE C=CCCC1([C@H](N)Cc2ccc(OC)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2281041059 LZIQTBKESBOGAD-GOSISDBHSA-N 439.394 4.531 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(c3c(Br)cccc3C#N)C1)C2 2285155867 MOIKKHJPBCFFAI-QVKFZJNVSA-N 434.378 4.937 30 10 IJEE CCOC(=O)c1ccc(N=C2SC(=Cc3cc(OC)ccc3OC)C(=O)N2CC)cc1 2293746708 JUSSMLVVQFHWKU-UHFFFAOYSA-N 440.521 4.504 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1C(=O)C#Cc1ccc(Br)cc1 2296231262 BPDRGOBORMHXAA-IBGZPJMESA-N 446.366 4.966 30 10 IJEE CCCSc1nnc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@@H]2c2ccccc2)s1 2296233768 VTHDQQFUDHAIOZ-HNNXBMFYSA-N 443.575 4.728 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@@H](N)C#Cc2cccc(Br)c2)CC1 2296280600 BHUAFKMCEMZWNE-HXUWFJFHSA-N 435.406 4.945 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 2296798437 UNGBGWHQZCUPIC-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCN=C1S[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C1CCCCC1 2297451531 XYTSGRASIQPJSI-MRXNPFEDSA-N 428.385 4.975 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC)cc2)N=C1SCC(=O)c1ccc(Cl)cc1 2297463921 QRPAOEBOESPVSE-UHFFFAOYSA-N 426.925 4.690 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2314429510 IUKIATBRFXNWRE-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c(OC)c1 2314429698 MNIGVSFZSXLSFJ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CC#CCN(C[C@H](N)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2316095022 OQOVAOFPDSZNAD-OAHLLOKOSA-N 429.786 4.541 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(F)cc1F 2320845667 BNKWXBQOTRQAKG-UHFFFAOYSA-N 441.507 4.664 30 10 IJEE C=C(C)CSc1nnc(C2CC2)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2320849898 DRWVUSRLFHLXCR-UHFFFAOYSA-N 448.548 4.934 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2322904339 FFPJHWJZOYFUCV-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2323301343 VJLOEUSZGGCHQS-QFQXNSOFSA-N 442.600 4.993 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)cc2F)cc1OC 2323719600 KCXRCWDXGHEXIG-UHFFFAOYSA-N 437.870 4.770 30 10 IJEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325714287 IWQAFBWIMAVGJS-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCOc1cccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c1 2325745770 FZDISYGYOCVNLW-UHFFFAOYSA-N 430.456 4.972 30 10 IJEE COc1ccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325747721 WIELZZZZSZFCHX-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3cccs3)c2)c(OC)c1 2325760712 CWWXZXMEFJQOCB-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE CCOc1cc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SC)ccc1O 2326038551 ODVNURFHVYTVNA-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Br)ccc1OC 2326266844 YXEZZIYSPAXZKC-UHFFFAOYSA-N 449.349 4.925 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(OC)c1 2329108464 PYDMYWXQRXFAHZ-UHFFFAOYSA-N 428.945 4.700 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 2330675240 WEJMBYJSCBXEHY-UHFFFAOYSA-N 428.517 4.860 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(F)cc1 2330804541 OTVKJNZELSXIAT-UHFFFAOYSA-N 425.533 4.619 30 10 IJEE C[C@@H]1C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339589465 XUVAYWMKFMWHRU-MJGOQNOKSA-N 443.397 4.784 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2339701345 UEITVOINEFRYMM-IRXDYDNUSA-N 427.383 4.886 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2345723930 FTHJUSZKKAHKQK-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362711047 WJPKNORWKVWTQL-RTBURBONSA-N 437.378 4.558 30 10 IJEE NCCCO[C@H](C#Cc1cccs1)c1cc(Br)c(Br)s1 2363634392 XFAOWBNFVAFBRA-GFCCVEGCSA-N 435.206 4.793 30 10 IJEE CC1(C)OB(c2ccc(COc3ccc(F)cc3Br)c(F)c2)OC1(C)C 2369070891 UJSPLDPNRPTVTK-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CC1(C)OB(c2ccc(CSC[C@]3(C)CCCOC3)cc2Br)OC1(C)C 2377316286 LTOWKMBJRNMFAM-HXUWFJFHSA-N 441.240 4.798 30 10 IJEE N#Cc1c(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)sc2c1CCCCC2 2487618 LCERXWIRJHYLSX-UHFFFAOYSA-N 445.342 4.741 30 10 IJEE C/C(=N\Nc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccccc1 21081479 ADMIORXZMODGJK-WGOQTCKBSA-N 430.537 4.915 30 10 IJEE Cc1nn(C)c(C)c1CN/C(=N/C(=O)c1ccc(C(C)(C)C)cc1)Nc1cccc(F)c1 32972330 CTRGXVFOFCXJOH-UHFFFAOYSA-N 435.547 4.872 30 10 IJEE Cc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1 59014445 LGCRENLTVCUDLE-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE CCOc1cc(/C=C\C(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)cc(Cl)c1O 96765556 ADZOXMWHBSMRTF-YVMONPNESA-N 432.923 4.621 30 10 IJEE CCCC[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(C2CCCCC2)C1=O 100984907 RLTONTBNHVZWDQ-RWNPKEDZSA-N 429.007 4.852 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 103109922 DYEIMIVIKOYDTP-GOBJLOIFSA-N 446.484 4.833 30 10 IJEE CCCN(CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)Cc1nnc(-c2cccs2)o1 105723850 SRGDDODVPLWCLP-STZFKDTASA-N 436.581 4.891 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(O)cc2)c(C)c1 169963187 VCGKFILBXNFXDH-FQEVSTJZSA-N 434.517 4.865 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc(O)c1 170080041 VSFKETGWJFWDBT-QHCPKHFHSA-N 435.426 4.772 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccc(O)cc3)ccc2O1 170131443 JEPLCEBWTWREIH-PSLXWICFSA-N 445.446 4.638 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccc(O)cc1 170136759 QHROFZWTSNQZFR-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)c(C)c1 170228114 PYOAJCUAWZJSCO-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(C)o2)c1 170306202 QEEFSDWAIKYEEM-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2sccc2C)s1 170314744 QFKHHRUALYKRHK-INIZCTEOSA-N 426.519 4.618 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1ccncc1 170317080 PBBMHLIPCKAKGS-FQEVSTJZSA-N 429.501 4.711 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 170446423 MRBKDGDGXMLBBE-JOCHJYFZSA-N 436.552 4.662 30 10 IJEE COc1cc(/C=C\C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)ccc1OCC#N 207963785 ZRBUXNGCSQXWNM-LUAWRHEFSA-N 432.480 4.731 30 10 IJEE CC(C)(C)[C@@H]1CSC(=Nc2cc(Br)ccc2I)N1 393987562 CPRSNCPZDZPPRI-NSHDSACASA-N 439.160 4.792 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 442205251 DEPQGUSGBFKAFF-UHFFFAOYSA-N 429.402 4.767 30 10 IJEE N#CC1(NC(=O)CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)CCCCC1 443453750 LYCXEIMFYJQDPH-UHFFFAOYSA-N 435.915 4.830 30 10 IJEE COC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1 466560458 ZNZAHVMUHURKNE-XMMPIXPASA-N 435.474 4.936 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 503396833 SJQCOEVNIRHPDD-MRXNPFEDSA-N 435.240 4.668 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)cc1OC 526487911 BDUGTCWTLWUIJJ-XMMPIXPASA-N 426.472 4.941 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)cc(Cl)c1OC 526490985 IYGCEZUJQCABHY-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE COc1ccccc1NC1=C(Sc2ccc(C)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 526640107 RAZCVVGAIRNTSJ-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccccc1F 526828044 UNDFACLXJGXLEF-OYKKKHCWSA-N 426.517 4.721 30 10 IJEE CCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(C(=O)OC(C)C)o2)c1 526831877 XNUDHURTZFQTNW-QRVIBDJDSA-N 442.541 4.708 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)s2)cc1 610168300 TVKCJZWUYJLETK-GOEBONIOSA-N 428.489 4.722 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@]1(C#N)CCc2cc(Br)ccc2C1 698461577 ZHABYTFEVZZOGG-RXVVDRJESA-N 435.362 4.616 30 10 IJEE COC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 708735373 BARRXXYRRVUZOF-OAQYLSRUSA-N 439.940 4.515 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 709434759 KEQGVBSZNXKUGY-HOTGVXAUSA-N 434.541 4.748 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)COc2cc(O)ccc21 710736531 NBNBLLKMASRDLV-FQEVSTJZSA-N 431.286 4.708 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ncc(Br)s1)NCCC 713689712 OSZOTSDUWAYSKM-KBPBESRZSA-N 432.428 4.676 30 10 IJEE N#CCCN(C(=O)COC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1 764056869 XOPBHAGDBOTEAN-QGOAFFKASA-N 436.817 4.776 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)CCCN1C(=O)OC(C)(C)C 790264123 IFMLVLPXOYLXMN-NSYGIPOTSA-N 441.572 4.558 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 812184090 KNVSDKCTQPQSRM-NFBKMPQASA-N 445.567 4.663 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1cc(Cl)cc(Cl)c1 1084237131 LJZFXFQQJWGVHJ-HNNXBMFYSA-N 426.300 4.723 30 10 IJEE CCN(CC)c1ccc(/C=C2\CCC(C=N/N=C/c3cccnc3)=C2N2CCOCC2)cc1 1085283027 IFUPFELSZJZFLF-BPXOXTMRSA-N 443.595 4.796 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1scnc1Cl)c1ccc2c(c1)OCO2 1124212330 KNLWYNMCNJWVSK-UHFFFAOYSA-N 428.897 4.937 30 10 IJEE C#CC[C@]1(C(=O)Oc2cccc(C(=O)Nc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1124533336 YCQAAPBUMUBXPA-AREMUKBSSA-N 448.519 4.637 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2Cl)c(C(=O)OCC)c1C 1124757302 PENKCBRSFJEVOJ-UHFFFAOYSA-N 435.929 4.719 30 10 IJEE COc1cc(C#N)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 1127878951 FCZPLHAOWQBQEL-GOSISDBHSA-N 449.429 4.790 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C(F)(F)F)cc1 1128971881 UVYMHENZPSRMDU-JOCHJYFZSA-N 430.470 4.659 30 10 IJEE C#Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)cc1 1129115364 DBKMBQJZIVBDTD-UHFFFAOYSA-N 446.572 4.593 30 10 IJEE C[C@@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1cccc(C#N)c1 1133500267 BCZYSTSEOCADKZ-OAHLLOKOSA-N 449.352 4.876 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)CCCN1C(=O)OC(C)(C)C 1134526203 SDQOFKUYJCVMQP-UIOOFZCWSA-N 438.568 4.799 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1 1161579949 ALAPWOFWOBLGEI-QUCCMNQESA-N 426.358 4.586 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1 1161785028 IEEYPQJTWXHCRD-UHFFFAOYSA-N 437.543 4.690 30 10 IJEE C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1161860874 DBABYAKJNDBOFY-INIZCTEOSA-N 439.353 4.936 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CSCC1CC1)c1ccc2c(c1)OCCO2 1166246396 GEUAOHOIYXANRV-UHFFFAOYSA-N 425.550 4.699 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc(Cl)c(-c2ccccc2)c1C(=O)OCC 1170444334 XMYQYOXXKBIOJF-CVEARBPZSA-N 448.972 4.507 30 10 IJEE N#Cc1ccc(N2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)c(Cl)c1 1193897752 FUPRBEDFAONSBR-UHFFFAOYSA-N 437.758 4.669 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(F)c(-n2nnnc2C)c1)c1ccc(C(F)(F)F)cc1 1199697107 ZRQPSFYASZSFTQ-SFHVURJKSA-N 448.424 4.958 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)c1ccc(Cl)cc1F 1211815193 FBIGNUBQHWMEFG-JTQLQIEISA-N 443.146 4.609 30 10 IJEE C#C[C@H](NC(=O)N(CCC)Cc1nnc(-c2ccccc2Cl)o1)c1ccc(F)cc1 1252433130 YPRABFSUVULQQT-IBGZPJMESA-N 426.879 4.825 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1c(C(F)F)nc2n1CCCC2 1275388993 BIKPRQOPJSPOKT-UHFFFAOYSA-N 426.261 4.737 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286314411 CHLVDDOPDUOLPK-NRFANRHFSA-N 444.526 4.745 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cscc1C 1286405767 KNOYJDJWOPJQJL-UHFFFAOYSA-N 439.382 4.507 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@H](C)c1ccccc1 1286453275 YNBXJKXTRJHFGQ-YMPZKCBVSA-N 438.616 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(CC)C1CCCC1 1286568119 XSJHXVHVRMYYOA-OFVILXPXSA-N 438.616 4.822 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(Cl)nc1 1286571248 NMEKWVWVYHWLRY-UHFFFAOYSA-N 441.963 4.852 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286635918 GFKAPEDAXRIZOF-HNNXBMFYSA-N 449.411 4.704 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1286639693 CZWGIVGMSQJPQF-WIYYLYMNSA-N 425.533 4.605 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 1286703806 SEHHDTKTXAGBAQ-UHFFFAOYSA-N 448.590 4.670 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCN(CCC(C)C)CC1 1286719506 ITFWSPDCSNOSCK-UHFFFAOYSA-N 446.039 4.987 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@H](F)C2)C1 1286802311 ABTVVWOYRLZYLN-AYOQOUSVSA-N 449.368 4.627 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1286829952 NAZJCHDWPKFNKZ-SFTDATJTSA-N 426.630 4.816 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2c2ccc(OC)cc2OC)nnc1C(C)(C)C 1286836425 MVBRCGBESQGLFE-IBGZPJMESA-N 430.618 4.854 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)CC1 1288481054 YKVFHLTYMNAFRM-UKIBZPOASA-N 439.353 4.932 30 10 IJEE C=CC[C@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccncc1 1293576158 CYIQQMGWEIRVHO-SFTDATJTSA-N 435.524 4.697 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2ccc(C)cc2)nnc1[C@]1(OC(C)C)CCOC1 1300376306 JHQFDCAGWFDHMI-OZXSUGGESA-N 436.600 4.772 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnccn1 1300384378 ONTDWYFYQOSHOB-SFHVURJKSA-N 438.963 4.528 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCO[C@@H]1CCCC[C@H]1C 1300564609 GIKXJSLCMWCHQC-XMSQKQJNSA-N 442.966 4.796 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C2CCC1(C)CC2 1300745115 FRWFXTQZEQGFEL-UHFFFAOYSA-N 440.613 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)CN1CCCC1 1300788046 QFOVLJZRRMPZPV-SZEHJLNQSA-N 449.643 4.759 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C)[C@H](OC)C1 1300936530 DFMPGNZIWCTORG-SUMWQHHRSA-N 439.785 4.798 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1300969734 BXMNLVUCLMBERI-FYYLOGMGSA-N 436.600 4.872 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](c2ccco2)N(C)C)CC1 1301130203 RWQQAIJDYFNNIA-HSZRJFAPSA-N 433.600 4.752 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1301209337 QRZLWVMWFNFXTO-UHFFFAOYSA-N 438.963 4.711 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1c(CC)noc1C 1301351260 NXUNVSOKFDUNQP-UHFFFAOYSA-N 432.503 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)O 1301357207 JSGOGUQYHYFNEO-UHFFFAOYSA-N 447.402 4.733 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC(=O)N(C)C1CCCCC1 1301357899 TYWHPFHFPHFNIM-GOSISDBHSA-N 429.634 4.837 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1301438531 UAGBFIGALCFMJZ-HXUWFJFHSA-N 445.386 4.707 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1301601100 AJGLNHOVIZUXMT-OALUTQOASA-N 428.602 4.649 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1301618756 XUVPRESJOWJTMF-DENIHFKCSA-N 426.630 4.896 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)C[C@@H](C)O1 1306449510 IDGIEDURQVUBIY-HLAWJBBLSA-N 437.588 4.559 30 10 IJEE CN(Cc1ccccc1)C1(CNC2CCN(Cc3ccc(C#N)cc3)CC2)CCCCC1 1308510981 DTBBXGSFEBMWCB-UHFFFAOYSA-N 430.640 4.947 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2OC)c1 1310303595 WMKSIXIJDPKYIJ-LJQANCHMSA-N 429.314 4.839 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1312334431 LWRJQTJRJNJKRP-PZJWPPBQSA-N 445.485 4.813 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@@H]1C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 1312340292 AAIYIEWCBWRFBR-ZCNNSNEGSA-N 426.479 4.692 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1F 1312943270 OYAJEXYVLMKQEO-LJQANCHMSA-N 440.733 4.992 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1315684430 BLXFJWRLYUKUOU-TVKQPGBESA-N 431.968 4.625 30 10 IJEE COCCC1(Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1315987073 FNDKTODEISFHAS-XMMPIXPASA-N 437.588 4.502 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c(OC)c1 1347801229 WPMVVUNLOKYFBP-SANMLTNESA-N 431.532 4.866 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2cc(F)ccc2SCC(F)F)cc1Br 1354163759 FEYNTDABMDPUFJ-UHFFFAOYSA-N 445.260 4.835 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](COCC)C1 1358906718 QGHNTLXDWLIPNR-OALUTQOASA-N 426.630 4.798 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1359050980 IXDBEQOVAHKFQP-AZUAARDMSA-N 438.597 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1359191893 OSFJPYQXJKSBJV-JOCHJYFZSA-N 429.565 4.623 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1359193974 MLKRIPFEGSMECZ-JTHBVZDNSA-N 447.583 4.511 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1359198051 HCMVQSMJQHLXJW-UHFFFAOYSA-N 434.588 4.509 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359199685 DCGQFCPTCGNIKW-SFHVURJKSA-N 447.986 4.979 30 10 IJEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@H](C)C1CCC1 1359216739 CJPQNDQFIGRZMC-UYAOXDASSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1359232248 PSQGUPFESAJNDB-QYZOEREBSA-N 432.012 4.814 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCSC1 1359260993 UAQFCQPWKOUOPZ-RXVVDRJESA-N 430.593 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)cc1 1359267607 MJHCNKBJSUACEL-UHFFFAOYSA-N 430.325 4.596 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1CC1(c2ccccc2C)CCOCC1 1359277336 JHHRIVIFQHKIDP-UHFFFAOYSA-N 434.584 4.725 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCO[C@H]1CCCC[C@@H]1C 1359469387 DCIIZBWKUQRCRN-GUXCAODWSA-N 433.959 4.929 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCC1(c2ccc(OC)c(OC)c2)CCCCC1 1360324595 XGJMQKCVNOOXCE-UHFFFAOYSA-N 439.552 4.909 30 10 IJEE COc1ccc(C[C@@H](C)CNC(=O)c2ccccc2Oc2ccccc2C#N)cc1OC 1435773425 DMVVFQMZBUUYBD-GOSISDBHSA-N 430.504 4.976 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@H]2CCC(F)(F)C2)nnc1-c1ccc(Cl)cc1 1440001079 PJEZDIHZLIJAFF-CQSZACIVSA-N 440.947 4.818 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc21 1456531739 HBFYNJCPWGKQAX-NRFANRHFSA-N 434.540 4.687 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)C1 1457928137 WUKYJXGWRQZIEW-OAHLLOKOSA-N 436.936 4.708 30 10 IJEE C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1458889974 XWLJSPOFBVPPKT-XYELWLDHSA-N 428.319 4.580 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1coc(-c2ccccc2OC)n1 1458985314 NDNBYBVHBPHGFH-UHFFFAOYSA-N 434.521 4.999 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 1467729645 FDBCLVCPIUCNNK-IBGZPJMESA-N 442.357 4.581 30 10 IJEE CC(C)(C)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccc(Cl)cc1 1468961704 AHVXEXQXXUOUMA-WDSOQIARSA-N 448.995 4.876 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 1469492711 WBGVCJPBMVSFME-ROUUACIJSA-N 425.495 4.801 30 10 IJEE C#CCC1(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)CCC1 1478743118 DJWXYNMOCVBPCT-SFHVURJKSA-N 427.545 4.881 30 10 IJEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)cn1 1502220786 GOBINIXAGOHMHK-GOSISDBHSA-N 445.596 4.610 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@H]1OC 1507600898 LGEGNOUQMIHSHA-CMKODMSKSA-N 430.980 4.573 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](CC)OC 1507660182 OABLRZTVSJOYLX-PZJWPPBQSA-N 442.991 4.576 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1sc(C)nc1C 1507694679 PYRFDUUWBVWCTJ-UHFFFAOYSA-N 437.613 4.736 30 10 IJEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccsc1 1507756447 NKVUAFUTPXDFTM-HXUWFJFHSA-N 438.622 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@H]1CC 1507804659 LORMEBALQWGBHV-QWGAEKNKSA-N 430.543 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1507913050 VEQOXJNRBVIZBU-FQEVSTJZSA-N 432.616 4.934 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCSC1 1507913112 XAVYXDYHVMCBOG-HNNXBMFYSA-N 438.439 4.590 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](c2ccnn2C)C1 1507956365 KYEPIOPFLUCULN-NRFANRHFSA-N 434.588 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCc1c(C)cccc1C 1508006636 TVGIPHYBJIELMT-UHFFFAOYSA-N 437.613 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1Cc1ncccc1C 1508009320 NUQIZDHYEMNHMP-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCOc1ccc(Cn2c(Nc3cnn([C@H]4CC4(F)F)c3)nnc2[C@H](C)CC)cc1 1508103484 DORWKBUGDMLTHV-BEFAXECRSA-N 428.487 4.925 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc4ccccc4n3)nnc2N(C)[C@@H](C)CC#N)C1 1511999415 CFPIYTISMMUAOE-HBMCJLEFSA-N 445.615 4.600 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1514090454 HEOGDRQPBQPCQW-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE CCOC(=O)c1c(CC(C)C)csc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1525146717 DHGBQLLKFHHQBW-INIZCTEOSA-N 443.544 4.599 30 10 IJEE N#Cc1cccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1Br 1525912660 BSKIOUZRTQNMDP-UHFFFAOYSA-N 437.293 4.917 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cnn3cccc(Br)c23)c1 1528206631 BKVPGAIEKQAQNN-UHFFFAOYSA-N 430.305 4.925 30 10 IJEE C#CC[C@]1(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1530926343 CDAPYQGKRSASEZ-WXVAWEFUSA-N 430.548 4.958 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531953373 VFFNRCCPLUBTNY-FUHWJXTLSA-N 432.611 4.805 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 1532322656 BYBNWGYNJMYIIL-UNMCSNQZSA-N 436.600 4.935 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)CC1 1537357621 WYSUXCAKYYRYGP-JCNLHEQBSA-N 437.590 4.605 30 10 IJEE CC(C)(C)OC(=O)C1(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CCCCC1 1539045178 BADIPUGKUFVUON-UHFFFAOYSA-N 434.536 4.912 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC)CC1CC1 1539065997 OPRWQDIYTQQVMD-NRFANRHFSA-N 443.636 4.823 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1539067432 GIGAFHIEOSLADI-HSZRJFAPSA-N 434.632 4.544 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCO[C@H]1C(C)C 1539384904 QODMVYNZZCBMNV-IRLDBZIGSA-N 426.580 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CCC(C)C 1539622417 FVPLNLATDGSXKN-TZIWHRDSSA-N 442.995 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1539647692 XUHBFLUUJINZQR-NQAVQENRSA-N 444.645 4.553 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N(C)CC1CC(F)(F)C1)c1ccccc1 1539767296 PZIQIFHMLDYBNO-UHFFFAOYSA-N 429.540 4.829 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C)N(CC)CC)CC1 1539836614 VNIQYSHEWZGRPC-SFHVURJKSA-N 446.437 4.903 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1539887759 HCIHJUAJPJFCGK-QFIPXVFZSA-N 440.588 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2[C@@H]1C 1539927036 ZHSXJOMYICSFLJ-SFHVURJKSA-N 449.624 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCC(=O)N1 1539932094 VNWZORPOIUCBDG-BPAFIMBUSA-N 445.995 4.673 30 10 IJEE C=CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(O)(C(F)(F)F)CC1 1539971249 ABOBSPCMUYHCLS-UHFFFAOYSA-N 447.505 4.600 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1539981665 IDNSAUHDIVLSOZ-RVKKMQEKSA-N 442.457 4.679 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1539982368 NTJWQHNIQLUBEV-OAHLLOKOSA-N 432.931 4.547 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](c1ccsc1)N(C)C 1540048499 WOKSAAHVTFFDCF-OXQOHEQNSA-N 429.565 4.544 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCC[C@@H]1C)C1CC1 1540102076 SAXUUIIIUCDLFF-QKKBWIMNSA-N 449.368 4.553 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1540136948 NPTYXQKTHWNDRW-LJQANCHMSA-N 442.579 4.742 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(C)cc1 1540919480 BHAMLBRYFUGMHO-QFIPXVFZSA-N 436.629 4.709 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 1543118266 COHYHGNZOHXVQW-UHFFFAOYSA-N 442.494 4.710 30 10 IJEE COc1ccc(C)cc1N1C[C@H](C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)CC1=O 1544382798 COPJERIZINOUTK-HRCADAONSA-N 437.565 4.614 30 10 IJEE C=CCC[C@H](NC(=O)Cn1c(C)nc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 1546025733 QUUPMZKLHQAWKH-IBGZPJMESA-N 429.442 4.547 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@]2(CO)C[C@@H]2c2ccccc2)c1 1556840215 CIVUYIWSMIUEAC-BWKNWUBXSA-N 432.907 4.900 30 10 IJEE C=CCN(CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1559751242 AHPZCGHIQDGJHQ-HSALFYBXSA-N 425.491 4.587 30 10 IJEE C#C[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccc(Br)cc1 1584708542 QZGOOSFWGPZCNZ-AWEZNQCLSA-N 446.395 4.825 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1ccsc1 1588181282 QHRPRHIOMJHMEB-SFHVURJKSA-N 438.984 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCN1CCC 1589651656 CVZPPJVATJDXAU-NRFANRHFSA-N 434.588 4.877 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nnc(C)s1 1589687549 IQUYDZFDKQNPMS-UHFFFAOYSA-N 440.617 4.765 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1594600179 LCHWHWZETMLMGV-FQEVSTJZSA-N 440.592 4.532 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)c1c(C)noc1C)C1CC1 1595065020 GUEDNJNOYFYHTI-HNNXBMFYSA-N 425.508 4.560 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1CCc1sccc1C 1595075797 KSZWDEGAWDXVEV-FQEVSTJZSA-N 438.597 4.596 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@](C)(O)C2CCCCC2)C1 1595688861 PWYNZIYLLWNTCA-ZEQKJWHPSA-N 438.616 4.620 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 1597199010 CVHJKPLWILNVMX-DEOSSOPVSA-N 444.579 4.640 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCOc1ccc(Cl)cn1 1613446454 BVDRKVPYSVSTGP-PXNSSMCTSA-N 438.963 4.686 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 1617196329 SCOCTBAZRFKTBR-UHFFFAOYSA-N 430.552 4.523 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 1618044959 MIVKUPVSSRTXDA-LMSSTIIKSA-N 438.571 4.877 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccsc1Br 1619380584 CTLQCLLJINLLBM-CYBMUJFWSA-N 446.374 4.564 30 10 IJEE COCCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1619765357 FHTBOXTWTJIJKD-RUZDIDTESA-N 439.604 4.667 30 10 IJEE C=CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1622724421 LZFUZUSSUJRHHL-KRWDZBQOSA-N 431.558 4.596 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C)cc1 1623309854 GFLWHADACBVFJA-UHFFFAOYSA-N 426.476 4.774 30 10 IJEE Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)ccc2C)c1 1624245296 HUOPXZYIFITJGC-XZOQPEGZSA-N 445.544 4.718 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCCC[C@H]1C 1624519634 LLUZKQZDUXDODW-NFBKMPQASA-N 443.632 4.927 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 1625124616 CJNOPDQBOUJOJR-MRXNPFEDSA-N 427.526 4.728 30 10 IJEE C=CC1(CC(=O)Nc2cccc(-c3n[nH]c4c3CCCC4)c2)CN(C(=O)OC(C)(C)C)C1 1625776713 BMJIPIUBIYOVQG-UHFFFAOYSA-N 436.556 4.707 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)CC2)cc1 1628324442 FVCYYGQSWHMJQI-VWLOTQADSA-N 427.573 4.736 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)C1 1628821245 YFWOVODAKCDSLE-QAPCUYQASA-N 437.378 4.830 30 10 IJEE Cc1ccc(OCCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(Br)c1 1629718820 DHGMYBJMFBGZSV-AZUAARDMSA-N 427.342 4.825 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 1631877554 ICRHHJHRSSNDBE-YADHBBJMSA-N 442.604 4.768 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CSc1nccn1-c1cc(C)ccc1C 1640483417 MUMFHDHBQPSISA-UHFFFAOYSA-N 437.613 4.964 30 10 IJEE C=CCn1c(SC[C@H](COC)c2ccc(Br)cc2)nnc1-c1ccncc1 1640700393 VWWWIRBWLNZXBB-KRWDZBQOSA-N 445.386 4.811 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643338221 MQIQSDAFFGRTHP-UKRRQHHQSA-N 434.627 4.981 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)cc(OC)c1OC 1643924450 BDIWNLUOQDBIRE-UHFFFAOYSA-N 448.342 4.899 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2c2ccccc2)cc1OC 1643979770 NESHBSQGYKRTAB-OSVJCPFSSA-N 449.547 4.626 30 10 IJEE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 1645391204 NEPWLPUSZFVSCL-QFIPXVFZSA-N 449.400 4.504 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)c1ccc(Br)cc1 1645728468 YIMUWYOIBDIEAT-MLGOLLRUSA-N 445.785 4.705 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c(Cl)c1 1645997999 XFLJZVUMGVKNJH-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CCCC[C@@H]1C(=O)OC 1651648412 QOCQSLXQLJIUPE-YJBOKZPZSA-N 435.977 4.768 30 10 IJEE CCOC(=O)c1cc(C)sc1NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 1652749168 DGZXIERXFCVKJM-UHFFFAOYSA-N 428.457 4.855 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 1653764291 BBFRNZPAPCAOFJ-RXVVDRJESA-N 430.335 4.514 30 10 IJEE C#CCNC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1CC=C 1656002195 KGXMFABQOCASHL-WBVHZDCISA-N 442.654 4.574 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCOC[C@H]3CC(C)C)c2C#N)C1 1657347538 HGKXQDJZLQNXOU-QZTJIDSGSA-N 431.646 4.846 30 10 IJEE C#CC[C@@H](COC)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1666319868 GSTDTUDARPWCEQ-SFHVURJKSA-N 434.418 4.509 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1 1666747607 DNNJEROXFZISBE-CYBMUJFWSA-N 440.372 4.579 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccccc2OC)CCC1)c1ccc(Br)cc1 1671510147 URJIRBRHGFEKQW-LJQANCHMSA-N 427.342 4.553 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1ccc(Oc2cc(OC)cc(OC)c2)cc1 1672639950 SKCMGYWBJZDSDI-UHFFFAOYSA-N 430.504 4.841 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1678328543 ZXLNMIXISLDFND-REWPJTCUSA-N 438.591 4.515 30 10 IJEE COc1ccc([C@@H](NC(=O)N2CCC[C@H](CC#N)C2)c2ccccc2Cl)c(OC)c1 1679470195 BUOUNRWKYVBILA-ZHRRBRCNSA-N 427.932 4.782 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC(C)(C)COc3ncc(Cl)cc3Cl)cc21 1680802183 HFNCADNQJODBRK-UHFFFAOYSA-N 434.327 4.903 30 10 IJEE C=C(C)CN(CC)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1683758118 QCCYPSVGCPJBPS-ICSRJNTNSA-N 449.567 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(C(C)C)C(C)C 1689831545 MOSROKRLNOYKMY-OAQYLSRUSA-N 432.616 4.769 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)N1CCCCC1 1689836061 XSOCJYSRNIWOJU-MOPGFXCFSA-N 439.673 4.854 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1690059888 ZLWDNKKTJPPCPA-IPJJNNNSSA-N 442.579 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cn2ccc(C)cc2n1 1690271391 NTHFEOFXRPXGFJ-UHFFFAOYSA-N 444.583 4.881 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1690350255 CTMYJNZBEJHPFW-UHFFFAOYSA-N 436.934 4.530 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)cc2F)CC1 1690402667 LGXOKJLBQMXGDB-UHFFFAOYSA-N 444.352 4.934 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cc(C)nn2C)CC1 1690406541 KAHMNGTURCNNSI-UHFFFAOYSA-N 448.615 4.863 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1690410111 ANWONJMUNHQMDN-XMMPIXPASA-N 430.600 4.662 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1ccco1)N1CCCC1 1690520307 QMTLKABMWMYWGE-IBGZPJMESA-N 441.963 4.659 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ncc(CC)s1 1690533578 OORALRDUVJPFQA-UHFFFAOYSA-N 438.384 4.853 30 10 IJEE C[C@H]1C[C@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCC2)C1 1693557442 CXIYBQZISUENRL-SFTDATJTSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705527951 QAXOFQMGRKIJCS-PMACEKPBSA-N 434.540 4.534 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](c1ccsc1)N(C)C 1705544748 CMXHWOQCVRTYNX-APWZRJJASA-N 439.654 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](SC)C(C)(C)C 1705574629 IWXRBAUIYZQOPT-GOSISDBHSA-N 445.430 4.558 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCS1 1705620717 DAPCNHHSKRISJD-HXUWFJFHSA-N 426.586 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(N(C)c2ccccc2)CC1 1705695714 YCMMPSPPWIGLPF-IMSXRSKXSA-N 437.632 4.878 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)c1cccs1 1705709986 HAIJQJYDZKCJNC-UZUQRXQVSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(CC(F)(F)F)C1 1705714100 DPSGGBLVGGRIJP-KRWDZBQOSA-N 446.521 4.713 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 1705731546 WQSCWDOXKQXTMW-UYAOXDASSA-N 448.995 4.506 30 10 IJEE C=C(Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)s1)c1ccccc1 1705743586 BSGQMRIAHMDWOG-UHFFFAOYSA-N 441.358 4.960 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@](C)(O)CCC(C)C)CC1 1705772166 LAVSOEWOVSWBGI-RUZDIDTESA-N 426.605 4.818 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705815336 SPHGLWDHTCRRKV-IBGZPJMESA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccc(OC)cc2)CCC1 1705847245 KNVCBWWCENJARJ-FGZHOGPDSA-N 438.616 4.949 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCC(C)CC1)C1CC1 1705853709 DXFMNPJTADVURJ-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccnc(SC)c1 1705868657 WGYSRWBCUNPJBK-UHFFFAOYSA-N 448.621 4.683 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CC[C@@H](CN3CCCCC3)C2)cc1 1705910050 PSBDMPZQJDTDFX-GMAHTHKFSA-N 437.632 4.717 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2[C@@H]2C[C@H]2CCC)C1 1705920296 UXDGGXOTNKYAKL-NZSAHSFTSA-N 431.378 4.850 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCC 1722303551 PMGOQNSABACIAZ-HKUYNNGSSA-N 432.037 4.556 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1722321122 WHOOWGXWBGNWJE-YLJYHZDGSA-N 443.389 4.802 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](OCC(C)C)C1 1722327668 MYEDZZVOXZKTRA-NQIIRXRSSA-N 430.980 4.736 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC1 1722478957 DAGZEGGZNVQFBC-ZDUSSCGKSA-N 425.758 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1CC 1722504531 ZUXTYBMLRVDXEO-MSYCTHLASA-N 442.629 4.939 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C)c1 1722511491 ZWLXCBSUDXTJDX-NFBKMPQASA-N 437.613 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1Oc1cccc(F)c1 1722517599 MDJNWKJGDZXWRU-LJQANCHMSA-N 437.519 4.559 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H](OC)C1 1722520893 QQUNMLTZZAYUHU-CQSZACIVSA-N 425.758 4.552 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C(C)C)C1 1722523600 ANGKLZSEZZKPEY-NRFANRHFSA-N 432.996 4.689 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCCC[C@@H](SCC)C1 1722533206 LBJDKIGOKHCXOP-JOCHJYFZSA-N 428.646 4.882 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1722595276 VONHJWWIVYYSQK-HSZRJFAPSA-N 431.584 4.953 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)[C@@H](C)CC 1722666098 JNXRGHOMZDMTTD-HRAATJIYSA-N 433.394 4.683 30 10 IJEE CC(C)[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)c1cccnc1 1723123986 DWUZNTAPXGWNEI-ZEQKJWHPSA-N 446.574 4.730 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 1740535887 WEZZRGNTQHLBGT-NQIIRXRSSA-N 447.549 4.552 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740565702 FEDDYHNKTHZICD-RXVVDRJESA-N 433.383 4.777 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1cscn1 1740584748 QJBQEWCUPHJMNE-UHFFFAOYSA-N 433.537 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(-n2cccn2)c1 1740768910 PXCBXVDUDSGEHO-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1740789586 HCSPVLWFQCZWAI-CTNGQTDRSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1740826944 CURMSRAHQURFLJ-XMMPIXPASA-N 447.583 4.595 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1740848668 OCXRZLADMAYDIA-OXJNMPFZSA-N 448.970 4.755 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740858910 DCOYHIKQUGYHOE-UHFFFAOYSA-N 449.559 4.810 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740865895 TWKJPCPBQPIOJX-HKUYNNGSSA-N 438.494 4.678 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740869076 ADVQFTVAIYJGCV-AEFFLSMTSA-N 433.394 4.986 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)c1ccsc1 1740894226 MTCJXEFKAVRCGL-NYHFZMIOSA-N 428.627 4.723 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 1740905717 FWQDRZRSZSREQV-SPEDKVCISA-N 426.536 4.693 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1CC1(OC)CCC(C)CC1)C1CC1 1740913296 IYQRHABXOMERFA-UHFFFAOYSA-N 428.552 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740924686 ZSHIPXUAOOBFPP-CEQLMSFQSA-N 437.613 4.722 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ncc(CC)s2)cc1 1740966465 MHWZJBQZZZGUDU-UHFFFAOYSA-N 434.569 4.542 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(OC(C)(C)C)nc1 1741124706 GQJUGODKCSCAGE-KRWDZBQOSA-N 444.539 4.908 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCCCC1 1748639729 LIRRDDFCXNHSCB-UNMCSNQZSA-N 437.632 4.757 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1748736804 RHOQJZYWSZWLFH-TZIWHRDSSA-N 442.007 4.550 30 10 IJEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C)=C(Br)C1 1748756329 ZEBLEQKZBTWZGR-UHFFFAOYSA-N 438.373 4.643 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C(C)C 1748868941 OAUYHGHZKCKNOT-UHFFFAOYSA-N 427.390 4.853 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H](C)N1CCCCC1 1748918223 XWYPPIINKJEBLY-KRWDZBQOSA-N 434.415 4.976 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1749023368 SNIWMHBAFYWMDJ-QFBILLFUSA-N 445.430 4.843 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(COc2ccccc2)CC1 1749131000 PGFBVUKNJYEDFB-RCZVLFRGSA-N 438.616 4.753 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CCCCCC2)CC1 1749293690 DTHGSCNKNUAPID-UHFFFAOYSA-N 440.588 4.594 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CCCCC2)C1)c1ccccc1 1749383269 UHIOCQHXQUUFCH-JOCHJYFZSA-N 435.616 4.937 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1749448372 ZCWSSIMUMYHPJN-IAGOWNOFSA-N 433.394 4.701 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(C#N)o1)C1CC1 1749527752 QDWNNYOYFQZUET-UHFFFAOYSA-N 431.540 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCC1CCOCC1 1749561524 PRCKGRHXGKUFIX-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1749586442 VOBKMKVMGZGPHE-SFTDATJTSA-N 427.637 4.986 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CC=CCC1 1749689648 MDUYRYATVBMGJV-OAQYLSRUSA-N 429.568 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOCC(C)C 1760104196 UCMGKCIXWSPYSH-QGZVFWFLSA-N 433.394 4.537 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1CCC 1760198093 XEYNUMFBOUNPTR-XMMPIXPASA-N 431.628 4.580 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCCCO1 1760276223 XPZGXSNUXYDHEP-IEBWSBKVSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN(C(C)C)C(C)C 1760297798 IYHIRFYCYXAUDM-RUZDIDTESA-N 439.673 4.990 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCCC1(C)C 1760298027 SMBKDNGOEKPISX-RPBOFIJWSA-N 438.641 4.812 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@H](c2ccccc2OC)C1 1760310832 DRFRSDKECHGVCR-SFHVURJKSA-N 445.405 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1OC(F)(F)F 1760339179 ZRMNPUDZVAMHPJ-UHFFFAOYSA-N 431.462 4.613 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC2(CCC2)C1 1760352002 ORMLVZACXFLXKU-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1760398732 KKETUKBGMLOIOX-HXUWFJFHSA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2OC(F)(F)F)CC1 1760403276 LWMCVELFMMLGNR-UHFFFAOYSA-N 443.473 4.613 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1cccs1)C1CC1 1760514271 ZSCKXAGPSOMJSH-SFHVURJKSA-N 429.590 4.767 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(Cc1cccs1)C(C)C 1760533298 PHKAGDARUVUWSD-UHFFFAOYSA-N 446.580 4.825 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2(C(C)C)CC2)C1 1760541070 URVRJZZABMNBAL-QGZVFWFLSA-N 445.405 4.925 30 10 IJEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C1CCCCC1 1760551558 KCVLIDMSZWEWBK-UHFFFAOYSA-N 444.645 4.612 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC=C(COC)CC1 1760561610 HEZFMNPTPZVKFT-UHFFFAOYSA-N 426.630 4.945 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760563703 ZTCUECGFNXZEFY-OAQYLSRUSA-N 437.613 4.664 30 10 IJEE CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)on1 1762176719 FMOVPTWPBZGYMI-HSZRJFAPSA-N 448.571 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446141 LVAMETMMHLCKAJ-LJQANCHMSA-N 442.302 4.538 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(O)cc1 1862523725 NVLYKWCPOKDMEC-LJQANCHMSA-N 444.325 4.779 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2c(F)cccc2Cl)cc1 1862531605 QXRPLAADTBUZFG-NRFANRHFSA-N 445.918 4.782 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 1862650159 OZAYMSIIGGNEHO-QHCPKHFHSA-N 433.479 4.984 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862673778 OGFUFLJQSVHBSD-JOCHJYFZSA-N 445.425 4.620 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1862679001 YOHXCIDKMYTLLO-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862679676 JXFFJPDBPVKXBU-LHSJRXKWSA-N 427.472 4.610 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Br 1862681360 YLHWKYDZHCIOGU-GOSISDBHSA-N 432.289 4.823 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1CCc1cccs1 1862736915 PXNSAYNBWJZSQD-NRFANRHFSA-N 448.500 4.786 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2cccc(Cl)c2C)C1=O 1863050678 KKMARNHGYAQNLS-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863086961 QYLNOZOSHDETDM-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)COc2cccc(C)c2C)cc1 1870144599 GZWVBRWTDJXADX-UHFFFAOYSA-N 437.503 4.749 30 10 IJEE Cc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)cc1 1870145553 FZGKVZOLVPXUHE-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CN(CC)CCc1ccncc1 1870406839 ADALRTLXTMQKAT-UHFFFAOYSA-N 437.971 4.726 30 10 IJEE O=C(/C=C/c1ccc(F)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871365843 GZZWJMYCIDPSMT-YMXXVVGASA-N 430.387 4.789 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)cc3)ccc2C1=O 1871400996 RBXUPIFSPIOYFG-VRHSPDTKSA-N 433.435 4.857 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)ccc3C2=O)cc1 1871420637 HKLILVJBSDEETM-CFRMEGHHSA-N 443.455 4.532 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Br)cc2C)[nH]1 1871567515 QAGVWNQURLTGTR-UHFFFAOYSA-N 445.409 4.744 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871993406 ZPJYMLSSSURXBT-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872303732 IIBPOVRZXPPAPD-NRFANRHFSA-N 434.989 4.859 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2cc(Cl)ccc2Cl)C1=O 1873390405 KAJLVNZSCFHPGH-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE CCCCCCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc2c(c1)OCO2 1873886394 UFDHPGRSROTBSC-ZEQRLZLVSA-N 436.552 4.803 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CCCOc2ccc(OC)cc2)nnc1SC 1874221087 UAWCIAMVTXUISN-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(OC)cc2)nnc1SCCC 1874294271 URTVHYRZVBPJHH-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2F)cc1O 1874403319 ZOBISHUMGBJKFZ-CVKSISIWSA-N 448.523 4.788 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(Cl)cc1 1874438038 GPFQPDDDYTYFPK-SSDVNMTOSA-N 449.005 4.590 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccccc1F 1874509529 HGEXHOLLDKSEIV-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OCC(=O)Nc1nccs1 1874593058 PPPLWZIHMHCLDI-UXBLZVDNSA-N 448.544 4.944 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 1874633403 ANZBMYMKQATMFC-FNORWQNLSA-N 447.871 4.793 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC(=O)C1(c2ccc3c(c2)OCO3)CC1 1874700383 PPUWIRRIOGNKBR-JXMROGBWSA-N 442.467 4.957 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)c1 1875119905 SHOKWXPHYGZYGE-PKNBQFBNSA-N 448.471 4.836 30 10 IJEE C=CCn1c(C(=O)N(CC)CCO)cc2c(NCCCCCCCCCC)ncnc21 1875229089 ODADUPQPOUJILC-UHFFFAOYSA-N 429.609 4.624 30 10 IJEE Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 1891402418 JWDLEMJAOSVFLW-UHFFFAOYSA-N 448.544 4.891 30 10 IJEE C=C[C@@]1(Oc2ccc(Br)cc2[N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 1903472298 UELWLARSSHWGFK-GOSISDBHSA-N 427.295 4.692 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922077472 NYXYKFRLWXVRNR-BVAGGSTKSA-N 440.584 4.992 30 10 IJEE CC1(C)OB(c2cnc(N(Cc3ccccc3)C3CCC3)c(Br)c2)OC1(C)C 1961710509 QMOZOZVTLFJGNL-UHFFFAOYSA-N 443.194 4.702 30 10 IJEE C#CC[C@H]1CCCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1984725881 QQHAGDUDVRZCRD-RXFWQSSRSA-N 444.575 4.954 30 10 IJEE CCCCC#CC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024351568 JVHPBUBAISYRHZ-QHCPKHFHSA-N 428.617 4.881 30 10 IJEE CC(C)(Oc1ccc2c(c1)CCC(=Cc1cccc(NC(=O)C(F)(F)F)c1)C2=O)C(=O)O 2042455236 PHOCYEHXGXBIME-UHFFFAOYSA-N 447.409 4.642 30 10 IJEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)c(C#N)cc1F 2118198095 CECYOOSVBHFUAS-OLZOCXBDSA-N 426.330 4.589 30 10 IJEE COC[C@@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)CCCCO1 2146065825 GLMCWXDRCAQXBO-FXAWDEMLSA-N 439.350 4.668 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)NCc2ccc(C#N)cc2)c1 2181043791 DGPUUXNVLGAINW-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1Br 2181048763 UAQGFHSHDQHPDD-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE C[C@H]1[C@@H](C)N(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](C)N1Cc1ccccc1 2219965794 WHILCKMYNHRHSV-AQNXPRMDSA-N 440.462 4.531 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1C 2235718713 DXZJOAKOYQWWDN-DKZVUGQWSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 2235729179 MQKMJRRNCDLGMR-IMFGXOCKSA-N 435.406 4.672 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 2235732222 YGGHAOFQCGMGFR-ICSRJNTNSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)C#Cc2ccccc2Br)C1 2235734910 RXANITQZFVTPDH-VGOFRKELSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@@H](O)C#Cc2ccccc2Br)C1 2235744132 OHYBBKYKTSJPOY-LQBOVUBWSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](COc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@H]21 2240694307 YQWIOTCARLWTAP-UKPHBRMFSA-N 436.350 4.663 30 10 IJEE O[C@@H](C#Cc1ccccc1Br)c1ccc(Cl)c(I)c1 2268322780 IIYILRHYLVFHBG-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE C=CCCC1([C@H](N)Cc2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2273837707 FIONSWFEFSERQW-QGZVFWFLSA-N 427.358 4.661 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2296226128 BZKIQHBGDNEWMA-RTBURBONSA-N 433.390 4.711 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)CC12CCCC2 2296286243 JGMUZSJIQNSCQV-MJGOQNOKSA-N 434.374 4.731 30 10 IJEE CC1(C)OB([C@@H]2CCN(Cc3cc(Br)ccc3Br)C2)OC1(C)C 2303149526 DFNQHVHHBSYDQW-CYBMUJFWSA-N 445.004 4.880 30 10 IJEE CC1(C)[C@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1OCc1ccccc1 2317217783 BNDBNGZAFCFGLY-WOJBJXKFSA-N 442.796 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317311941 YGQQSAIEWZCYSU-HSZRJFAPSA-N 429.370 4.538 30 10 IJEE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317346236 FTZOPOLGQBBILJ-UKBCRRFPSA-N 432.370 4.797 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2CC(C)C)cc1OCc1ccc(Cl)cc1 2321888398 SUWXHKHRPQFTHW-UHFFFAOYSA-N 430.961 4.889 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C[C@@H]3COc5ccccc5O3)CO4)C2=O)cc1 2322234572 ANZHXWXVQFZEFN-LJQANCHMSA-N 441.483 4.603 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)NCc1ccco1 2322545732 BTKDGUXRJGCLMD-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2cc(C)cc(C)c2OC)c1OCCCO 2322856673 YDCVQEUAMBFNFH-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323423013 VORLNRLJHGASSS-UHFFFAOYSA-N 441.483 4.996 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2325572152 NCRWAQWKPFDICW-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CC(C)(C)N1C[C@@H](c2nnc(SCc3ccccc3)n2N=Cc2cccs2)CC1=O 2327866037 CPMRCXALUXZEJR-KRWDZBQOSA-N 439.610 4.629 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCCCO)cc1 2330024613 SNJFXOLDVHBBFN-UHFFFAOYSA-N 438.597 4.713 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1)NCc1ccccc1 2330296349 NGBFVJMVPMFQTB-UHFFFAOYSA-N 447.608 4.692 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccncc1 2330664539 HQCHJMWZMGBASG-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2331319315 FFRARIHCCPHTHW-UHFFFAOYSA-N 432.553 4.715 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(CC)cc1 2331334689 BKIHGFAEJVQZQN-UHFFFAOYSA-N 426.542 4.737 30 10 IJEE CCCCc1nnc(SCCO)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331353938 PFQSJGKWXYUYAK-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE COc1ccc(OC)c(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)c1 2331453757 GITBRRFGOOLHBK-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1c(F)cccc1Cl 2331638748 HJMDXNYSKXHDBM-UHFFFAOYSA-N 445.951 4.945 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)cc1)Nc1ccccc1F 2331723929 QZLJEZKJQXTKAD-UHFFFAOYSA-N 429.908 4.561 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c(C)c1 2332197306 QKBWLDOTGCNALQ-UHFFFAOYSA-N 449.514 4.987 30 10 IJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(I)c(Br)c1 2339576434 IDSBPUADTOXLCB-IUODEOHRSA-N 432.143 4.754 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CCC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2342471457 RQTUXRZHSMIVQV-GOSISDBHSA-N 444.381 4.661 30 10 IJEE N#Cc1ccc(COCc2ccc(I)c(Br)c2)c(F)c1 2377635366 XQTAPAAQUHJXPZ-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE CCCCCn1c(SCC#N)nc2cc(C(=O)NCCC3=CCCCC3)ccc2c1=O 9775427 VGDRBYFGUMMLGD-UHFFFAOYSA-N 438.597 4.823 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccc(F)c(Cl)c2)N2CCC[C@@H](C)C2)n1 14160237 ZYDHCVFGZWJFGE-GFCCVEGCSA-N 434.972 4.783 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CCCCC3)c3ccccc23)cc1 20439371 ARJATSLOOVMPBD-MEWQITQSSA-N 432.564 4.783 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)c1 30930086 VXYSJYOKMVDCJW-UHFFFAOYSA-N 434.835 4.687 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(F)cc2)Nc2ccc(C)cc2C)c1C 32973221 STEHHWUVUXLPGG-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE C=CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)c1 33271653 XEPRTYMUBNOHQR-SFHVURJKSA-N 446.532 4.838 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc2ccccc12 35566962 IATFWHQNPZHAEQ-HXUWFJFHSA-N 436.533 4.528 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 41285172 AHKQBWMCWVFAFK-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CCC3CCCCC3)sc2c1 101219684 DSZZYBHBXKAIKK-UHFFFAOYSA-N 447.626 4.958 30 10 IJEE COc1cc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O 102522185 SFVKVNQDHBYUPI-RKKARLDVSA-N 449.890 4.989 30 10 IJEE CCCCCCCCOc1ccc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)cc1 102623540 AAXXZXSWBULPDG-LVZFUZTISA-N 434.627 4.874 30 10 IJEE CCCOc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 103088865 XEXNBSOFTGWSII-MYXKAAJQSA-N 442.515 4.801 30 10 IJEE CCOc1ccc(/C=C2/Oc3cc(OCC(=O)c4ccc(OC)cc4)ccc3C2=O)cc1 110528372 BZEQKJZWMVNJEM-AFUMVMLFSA-N 430.456 4.972 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1OC 169939434 NTMGMEGVWUHMAL-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccn2)cc1Cl 169996608 BMQSEHNFFLXWOD-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066859 HIRNPBPWABXGHV-QPPBQGQZSA-N 447.531 4.502 30 10 IJEE C=CCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CCC(Cc3ccccc3)CC2)C1=O 170084016 MLCWJOSUDMKPFU-UHFFFAOYSA-N 444.575 4.694 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(C)c1 170144934 FYLCKHCRSWLJMZ-QHCPKHFHSA-N 442.515 4.794 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccs2)cc1OC 170155328 PQPVHWSHCDMNBR-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170199973 DFFNRLZCNOMVIP-QHCPKHFHSA-N 428.463 4.882 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccco1)c1ccc2ccccc2c1 170281422 SJTLDIPADRBVSP-HSZRJFAPSA-N 439.423 4.944 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(C)o2)cc1 170301449 KIAQEISCVVOZOJ-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1c(C)[nH]c2ccccc12 170311846 CNPFWGGBUSSQIK-QHCPKHFHSA-N 448.519 4.872 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2sccc2C)cc1C 170316989 CHMVYYWAYWLLKO-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 170417885 FLGNDUUCYYNPDJ-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@H]1c1ccncc1 170483079 PHLBDPUGAORKKI-SFHVURJKSA-N 445.903 4.999 30 10 IJEE COc1ccc2ccc(OC)c(/C=C3\SC(=Nc4ccc(C(=O)O)cc4)N(C)C3=O)c2c1 252630971 VGIHHJVFQWGWLE-RNUJJHFSSA-N 448.500 4.789 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 461655986 OFWMBNVHRIHOBQ-QFIPXVFZSA-N 440.551 4.894 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2O)nnc1-c1ccco1 501972272 FEZHNTGGSYYOHD-UHFFFAOYSA-N 426.542 4.848 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC2(CC1)OCCc1ccsc12 508887069 HCIFXOVMFTUGEB-UHFFFAOYSA-N 426.973 4.914 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@](O)(C(F)(F)F)C1 508915073 WEBHCFCYZLCTGQ-OPAMFIHVSA-N 446.473 4.651 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 526606512 LIQLTXZATXCFIR-QHCPKHFHSA-N 441.443 4.922 30 10 IJEE CCn1c(C)c(/C=N\n2cnnc2SCc2ccc(C(=O)OC)cc2)c2ccccc21 526827144 LERODUAGMQLYHZ-MXAYSNPKSA-N 433.537 4.522 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 731482876 AWRNXBGMQRPXLG-LHSJRXKWSA-N 444.000 4.534 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1=S 742173543 ZAJZDTVGLBHSLX-DENIHFKCSA-N 435.597 4.698 30 10 IJEE C#CCN(Cc1nnc(-c2cc(C)oc2C)o1)[C@H]1CCOc2ccc(Br)cc21 760840795 PBZFBJZAZBXZFS-SFHVURJKSA-N 442.313 4.668 30 10 IJEE C=CC[C@]1(C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)CCCN1C(=O)OC(C)(C)C 791719469 HONCWLHHBLOKMI-MHECFPHRSA-N 430.545 4.519 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CC[C@H]2C)c1 795185871 YQMHVPJUZJBQCK-GQWLDOHISA-N 435.524 4.566 30 10 IJEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC2(CC#N)CC2)c1 797424319 HMOLDMXKSRUPOQ-NRFANRHFSA-N 446.576 4.958 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(Cl)c1C 799211922 DKBDRTFRSXSUDI-GOSISDBHSA-N 431.945 4.637 30 10 IJEE COc1cccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc(C(C)(C)C)cc2)n1 811724212 BGRZBBOMEVQMQT-UHFFFAOYSA-O 445.568 4.870 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1 812883122 QBWXTEFYUTVUGJ-SANMLTNESA-N 438.506 4.911 30 10 IJEE COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1127908020 HQJHKDQQZFGVAO-HSZRJFAPSA-N 426.516 4.996 30 10 IJEE C#C[C@@H](CC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 1129610438 LIOJNTJVUXEKPE-DGDHUYAWSA-N 426.516 4.880 30 10 IJEE C=C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1ccccc1 1130934136 FEZCJHQBRKDPRZ-HSZRJFAPSA-N 441.593 4.791 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)N3CCc4cccc(C(F)(F)F)c4C3)CC2)c(F)c1 1132130068 GLUFXENOAKRVTG-UHFFFAOYSA-N 431.433 4.517 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)cc2n1 1134066865 FSAXPDBGWQQKKU-FQEVSTJZSA-N 443.334 4.772 30 10 IJEE N#Cc1c[nH]c(C(=O)NC[C@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)c1 1136248991 HANMTQVHAYRCEP-LJQANCHMSA-N 445.375 4.784 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccncc1NC(=O)C(F)(F)F 1136372554 DUDRVDQANYBJDA-UHFFFAOYSA-N 440.381 4.807 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC1CC1 1137068690 KJQOTTILJJLJGP-HSZRJFAPSA-N 438.955 4.953 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(Cl)c(CN(C)CCO)c1 1138795201 PSJBGMYRGRFORA-UHFFFAOYSA-N 442.865 4.600 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 1143078006 ZAOOGBZFMCDBJN-LJQANCHMSA-N 428.916 4.892 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 1146963914 YESCLLVLUQJOJA-HNNXBMFYSA-N 434.430 4.955 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OCC)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 1154942502 OCTRSFYAHHCEIQ-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H](C)C(=O)Nc1ccccc1 1168072953 DNAOZRNMRVPYHP-HXUWFJFHSA-N 449.599 4.769 30 10 IJEE C#CCN(Cc1csc(Cc2ccccc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1176129571 FCHKSLIHSMWGTP-UHFFFAOYSA-N 425.598 4.569 30 10 IJEE CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 1179881344 BKNPWYBZYYSKEK-CQSZACIVSA-N 428.392 4.857 30 10 IJEE CCOC(=O)c1c(NC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c(C#N)cn1CC 1206508299 DDJBDFUPTVWAAZ-ZDUSSCGKSA-N 436.434 4.500 30 10 IJEE C#CCN(C(=O)N[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)C1CCN(C)CC1 1229311660 SUDFLHDHVGASJW-HSZRJFAPSA-N 443.563 4.515 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c1ccc(F)cc1 1230479184 YPJJWDDXWDRJGV-SFTDATJTSA-N 443.563 4.567 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc(-c3cccnc3Cl)ns2)CCCN1C(=O)OC(C)(C)C 1277406899 RXAJXWQOVVICON-FQEVSTJZSA-N 449.964 4.538 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CCC(OC)CC1 1286365664 FWCKPJUZDZPOEL-UHFFFAOYSA-N 426.630 4.940 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc(C(C)(C)C)cs1 1286373824 RYSKSUDVOFJENR-UHFFFAOYSA-N 428.005 4.588 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(C)C)C1 1286622955 AECNPYOKHFVIBP-INIZCTEOSA-N 434.968 4.596 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1286628605 JMKAUZXEXPHBMI-NHCUHLMSSA-N 430.980 4.500 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1286657050 ZLEHTMUOSQDLFP-JOCHJYFZSA-N 428.989 4.970 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H](C)C1)c1ccccc1 1286681691 QVEYNDVHKCEUMM-VMYYHUPOSA-N 438.616 4.844 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286719505 ISWQDMCRHOHMNK-MUJYYYPQSA-N 449.393 4.542 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)c2cccs2)C1 1286806500 CTSYYNWEKWBALL-FQEVSTJZSA-N 440.588 4.829 30 10 IJEE CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1)c1cccs1 1287092791 CBLYJCKZOVFTQV-UHFFFAOYSA-N 446.580 4.508 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c(OC)c1 1287590995 LBHUGZWWOPYPIF-IBGZPJMESA-N 437.367 4.528 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1CCCCC1 1288524761 GUZZTUCROIBGAL-GOSISDBHSA-N 429.012 4.525 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c1 1291654615 ULGFXRIRGMNUCH-HSZRJFAPSA-N 437.948 4.656 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300386701 UCQXEIMPMKVLSK-FQEVSTJZSA-N 431.584 4.999 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(F)(F)F)CC1 1300425288 SCHSNHLVJUWUIW-QZTJIDSGSA-N 426.527 4.779 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](COC)C1 1300743296 LQCHVCNLCQOBRV-GOSISDBHSA-N 444.670 4.505 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCOc2ccc(OC)cc2)CC1 1301128852 BDYQIGBXQGJHSB-UHFFFAOYSA-N 438.597 4.811 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301143256 GODJKWHZYMKPAS-IBGZPJMESA-N 429.996 4.991 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1301176572 DWBYBTGTFDRGGU-LJQANCHMSA-N 429.996 4.638 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1301182774 LZSULQGDTITNLN-HXUWFJFHSA-N 429.927 5.000 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCSC1 1301208770 DBOJVCHADQHYBS-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1301253438 ZDSLSSMOTKNSLZ-LJQANCHMSA-N 438.494 4.768 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C)CCOCC1)C1CC1 1301317785 ZCWKTYGSSNHFFC-UHFFFAOYSA-N 445.405 4.988 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COC 1301355488 XIIPADNGBGPSBW-CZTZKLFOSA-N 444.595 4.811 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc3ccccc3o2)n1C[C@H](F)COC 1301358105 WZWFTABHPYZMBU-KRWDZBQOSA-N 426.517 4.930 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)Cc1cc(C)cs1 1301529569 MNQPGNZSHKNJEJ-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cscc1C)[C@@H]1CC[C@H](C)C1 1301747942 HQNATOSCCRBGPI-HTAPYJJXSA-N 435.597 4.876 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCOC[C@H]2C)cc1 1304437416 GXEPKUQALRGYRV-JXALWOEJSA-N 439.629 4.682 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2c(Br)cccc2C#N)CC[C@@H]1C(F)(F)F 1307212164 SFSIEIVSCJLXDX-JSGCOSHPSA-N 448.283 4.603 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1F)c1ccc(C(F)(F)F)cc1 1309334770 ONWOWWCWSPLUAI-SFHVURJKSA-N 444.450 4.789 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(F)c(F)c1 1311610909 ALRRSMYTVCIJNS-VBURHUQHSA-N 447.501 4.834 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1 1355494425 UBMLNQSFQGEIPH-UHFFFAOYSA-N 444.553 4.921 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1c(F)cccc1Cl 1358915233 WWXGLRMDSPXQSV-UHFFFAOYSA-N 431.968 4.866 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358938710 IAYWVZWWWVVWGX-ULQDDVLXSA-N 438.469 4.995 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC[C@@H]1CC 1359021464 PPFRHFWEXIJJOG-ROUUACIJSA-N 430.980 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCO[C@@H](C)c1ccccc1 1359072815 RICSPWGSYDIJHT-UQBPGWFLSA-N 449.624 4.794 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(C)C 1359089959 SDDVQEGOUGLDTQ-IFMALSPDSA-N 439.604 4.611 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1359136100 ZAJDCTJHEYXCRU-VWNXMTODSA-N 443.680 4.694 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1359186372 DGBPMZDUBSAMHD-ZOKDDAQRSA-N 425.602 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1359190720 AFZGGLJDHOHOML-LJQANCHMSA-N 431.625 4.574 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 1359194235 RKBZMWFDXZINHC-NRFANRHFSA-N 449.624 4.785 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCC(C(F)(F)F)CC1 1359233600 KZGXPVPYYPROBT-UHFFFAOYSA-N 438.494 4.953 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1359337425 RLSLAMNCPGWVMN-SFHVURJKSA-N 442.633 4.501 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 1359345959 WEHKGSMCTACZID-CJNGLKHVSA-N 445.391 4.877 30 10 IJEE C=CC[C@@]1(C(=O)N2CCCc3cc(OC(F)F)ccc32)CCCN1C(=O)OC(C)(C)C 1434878358 QAUQGNZSDAJWNS-QHCPKHFHSA-N 436.499 4.913 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1453879902 BSKLZFROFBQHEF-KGVIQGDOSA-N 449.389 4.899 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1458998303 KPAZLFVGNKJFQL-UTKZUKDTSA-N 449.469 4.662 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)[C@@H]1CCCO1 1459222706 IGGPCZHVOMLQPY-KNQAVFIVSA-N 435.321 4.575 30 10 IJEE COc1ccc2[nH]cc(C3=CCN([C@@H](C)C(=O)N(C)C4(C#N)CCC(C)CC4)CC3)c2c1 1459747487 GUQJHQGECZSZOR-XWJIAHPJSA-N 434.584 4.585 30 10 IJEE C#C[C@H](NC(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccc(F)cc1 1460790592 XJUUCOGZQFJJMC-QHCPKHFHSA-N 436.527 4.883 30 10 IJEE Cc1ccccc1-n1ncc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1C(C)C 1464800056 FGEGFJNDHMWKSC-UHFFFAOYSA-N 427.552 4.528 30 10 IJEE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1467348303 FUGLIGGVCATTGQ-LJQANCHMSA-N 441.553 4.935 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 1468165104 JJFKQRMXMLURFV-UHFFFAOYSA-N 440.499 4.966 30 10 IJEE C#C[C@@](C)(CC)NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1468175248 ITBVQZOOYWWZRD-NGOKVRLYSA-N 444.575 4.956 30 10 IJEE C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(-n2cccn2)c(F)c1 1476056455 CWSGVDCTEDFMBJ-INIZCTEOSA-N 442.454 4.953 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)N1CCc2ccccc2C1 1476729331 RZHUHXPLXYQGHZ-INIZCTEOSA-N 444.373 4.582 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(C)(C)C(C)C)c1 1507549117 FGRHASHXARIIHV-UHFFFAOYSA-N 433.556 4.585 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC(F)(F)C1 1507642964 OHPYFEAGVBAXBC-IAGOWNOFSA-N 432.902 4.580 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1507664203 PMBVHUZNMJCPGC-ISKFKSNPSA-N 432.612 4.767 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CCC(C)CC1 1507839358 CVOWBGLPQSJRNL-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(F)CCC2)CC1 1507894368 BPMOHYISKDFRCR-UHFFFAOYSA-N 445.970 4.546 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(CC)CCOCC2)CC1 1507909694 OULLPRKONHKVKB-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1507913561 ZXHJBEBDXLGMCX-PMACEKPBSA-N 430.980 4.585 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1507942906 XQYCROVRQUTRKE-HSZRJFAPSA-N 432.616 4.875 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(Cc2cscn2)CC1 1507943933 NLPLXJHWGOXCBY-QFIPXVFZSA-N 436.629 4.565 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCCC[C@@H]1C 1507974058 ROKJWUODEWAOML-SFHVURJKSA-N 432.012 4.884 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1507990505 KMNSJZGEPNFGRR-BGYRXZFFSA-N 437.632 4.550 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCSC[C@H]1C 1508152879 TTYVUEHAGZYWDQ-QGZVFWFLSA-N 425.627 4.663 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCOC2(CCCCCC2)C1 1508158603 MDGKLUPEQNQVPK-UHFFFAOYSA-N 442.629 4.803 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCCC1 1510287777 CLTOSZZXMMVXEW-YADARESESA-N 442.608 4.670 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(Cl)s1 1513683781 DXUGGCJCFNAJIQ-OAHLLOKOSA-N 429.977 4.779 30 10 IJEE C[C@H](OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 1515135456 DYTWSWQOMFWOOO-KSFYIVLOSA-N 433.508 4.780 30 10 IJEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[C@H]2C)ccc1OC(C)C 1517961841 BDWFRJYTZRIJNW-YJLYGGOZSA-N 441.551 4.619 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CCCN1C(=O)OC(C)(C)C 1518784430 MLAXZSJGGXEMRI-HYBUGGRVSA-N 430.545 4.529 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1524838658 GRTTUCICRVIGOK-UHFFFAOYSA-N 439.494 4.996 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 1530258587 XAFIOQQGTIGKPQ-QHCPKHFHSA-N 426.582 4.938 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2sccc2C(F)F)c(C(=O)OCC)c1C 1532545712 ZTZQBLJFDDYDEF-UHFFFAOYSA-N 429.466 4.827 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cccc(S(=O)(=O)C(F)F)c2)C(C)(C)C)cc1 1539006254 HGDNSARFPUERQO-UHFFFAOYSA-N 437.508 4.689 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1539332473 RXIGTTAVNPNOLR-ZCYQVOJMSA-N 444.604 4.561 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCOCCC(C)C 1539351266 QZGMQBUEORDPOX-UHFFFAOYSA-N 433.394 4.538 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCO[C@H]1CCCC[C@@H]1C 1539361674 AOQPJKVXLDXGTK-UGKGYDQZSA-N 433.556 4.655 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 1539378739 ADLQNNRZYICXGQ-JWQCQUIFSA-N 427.573 4.929 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1539391630 GLPWWRDJIRNCKG-IEBWSBKVSA-N 438.469 4.887 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 1539617668 QQPQBPDFHCMMDA-UHFFFAOYSA-N 432.564 4.915 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1C 1539622359 WRAJGBVLIOVITC-IEZWGBDMSA-N 431.378 4.678 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1539627167 IBDHIOVDCZCBQC-OXQOHEQNSA-N 429.927 4.683 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCC[C@H](C)C1 1539651312 DDSIBSXHFUXFDL-SFHVURJKSA-N 433.547 4.681 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(C)C)C1 1539702027 XLKGCBRTHBZVBM-UXHICEINSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1539898534 VCWIOSZNJRUSQK-PKOBYXMFSA-N 430.980 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1539908847 CFASELZOFOKAQC-OALUTQOASA-N 445.970 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(C(C)C)CC1 1539925752 DMGVTZNAXRFOPC-UHFFFAOYSA-N 425.621 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1539926334 MSWSYADGKPELOJ-FGZHOGPDSA-N 439.648 4.995 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCCOC2)C1 1539952287 AQLSYAKDGMVNLD-CYFREDJKSA-N 428.552 4.920 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1540101631 JIQBMLHDTZDQSJ-GJZGRUSLSA-N 449.368 4.674 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(Cl)nc1 1540126993 AQWFVYUILJYKOR-OAQYLSRUSA-N 448.958 4.681 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCC1 1543065225 YVKZOHGSESJKKX-DEOSSOPVSA-N 445.563 4.892 30 10 IJEE CCNc1ccc(C#N)cc1NC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1 1545759727 FLYXHIKLXQTGAW-QHCPKHFHSA-N 426.520 4.798 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)C2CCCCC2)C1 1547169972 HAFPHXUATJHZDR-RBBKRZOGSA-N 434.632 4.954 30 10 IJEE CCOCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(C#N)C1 1548065077 CUGYYHDHHGQCDS-VWLOTQADSA-N 439.604 4.667 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1 1557328372 LHTBNSWDKUMZBM-FVJLSDCUSA-N 449.567 4.627 30 10 IJEE N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1O 1558626833 GFKUPDRSRCPTBC-UHFFFAOYSA-N 436.265 4.531 30 10 IJEE CCC[C@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CCN1Cc1ccccc1 1559676442 IECZJEHKEUBFQM-BVAGGSTKSA-N 432.612 4.617 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2=O)cc1 1564547072 GIRBNPIEBHMYQA-XMMPIXPASA-N 448.542 4.737 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@H](O)CC(C)(C)C)c1ccc2c(c1)OCCO2 1565656033 LWQNSEBWBDMZNE-NRFANRHFSA-N 439.552 4.743 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1(OCc2ccccc2)CCOCC1 1583506503 RJPYWEBKJRSCPF-UHFFFAOYSA-N 446.341 4.718 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)c1 1587433240 FZPBXDKUXZQCCO-HSZRJFAPSA-N 434.442 4.629 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@H]1OC 1587561621 FTYDXYLLOHQCGJ-VNYTWHDVSA-N 445.007 4.961 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1587807466 DLVCTPVMKQGMKS-LPHOPBHVSA-N 431.378 4.545 30 10 IJEE C#CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(C(C)C)CC1 1587827173 GGRHRRGJCYYKJS-UHFFFAOYSA-N 437.588 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC(C)(C)C1 1589516344 ZXLQTFAEFHFQHV-AVRDEDQJSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1589688049 ZGEQRADIXDKIPN-FYYLOGMGSA-N 439.648 4.997 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2OCC[C@H]2C)CC1 1594128507 RIWRXCJKCJHOPR-DNVCBOLYSA-N 437.371 4.745 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1594728226 YKAZZORHRMADCS-AZUAARDMSA-N 447.624 4.616 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C1CC1)N(C)C)C1CC1 1595034199 XVFNPESJUOUWKF-HXUWFJFHSA-N 444.421 4.511 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1Cc2cccc(Br)c2C1 1595460964 JPHBKVPDYOXLEQ-CRAIPNDOSA-N 431.378 4.665 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N(CC)CC)C1 1595688778 OHULQZGRANXGLO-NFBKMPQASA-N 439.648 4.754 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C)c2ccc(OC)cc2)C1 1595730032 SHZYPESINBJBST-KNQAVFIVSA-N 426.605 4.850 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CC2(C)C)C1 1595744566 MUTMEANQMXAPJZ-IFMALSPDSA-N 438.616 4.982 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)c1C#N 1595897483 FVEZWXPBJSKJBM-CYBMUJFWSA-N 425.583 4.777 30 10 IJEE CCO[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1)C(C)C 1616107860 ACECBGWDTGXGQR-JOCHJYFZSA-N 437.588 4.560 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@@H](C)C2)c1 1616456300 GFYGHTMKKXAVJX-IAGOWNOFSA-N 432.973 4.640 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1ccc(O)cc1)c1ccc2c(c1)OCCO2 1616619891 IFAZYPPFXFFQHH-UHFFFAOYSA-N 445.515 4.894 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc(F)c1C(=O)OC)c1ccc(C(F)(F)F)cc1 1621949605 SESCESIMGHOBAN-INIZCTEOSA-N 445.434 4.617 30 10 IJEE C=CCC1(CNC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)CCCC1 1623298846 KYFUKUREMNWMAI-GOSISDBHSA-N 428.577 4.722 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)c3cc4ccc(Br)cc4s3)CCO2)c1 1624488972 HEPWLUIBQCAKCK-KRWDZBQOSA-N 427.323 4.749 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2nc(C)c(Cc3cccc(Br)c3)s2)C1 1624773601 WFEMHZNPOCVDPL-MRXNPFEDSA-N 436.375 4.614 30 10 IJEE C=CCOCCNC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1624787616 XOUARFXOVLKPTB-UHFFFAOYSA-N 425.476 4.954 30 10 IJEE C=CCCC[C@H](C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1)c1ccccc1 1625029342 RVVJIFPUISMSTP-FPOVZHCZSA-N 429.358 4.964 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 1626700666 NXPPUCHKQHHUJR-HNNXBMFYSA-N 425.316 4.500 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)c(Cl)c1 1627811085 ZHUCLFFOKLLOCR-LLVKDONJSA-N 435.705 4.738 30 10 IJEE CCCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1C[C@H](OCC)C12CCCC2 1629482998 FGQGTSQYUFBDMY-YADHBBJMSA-N 425.573 4.643 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccc(Br)cc1NC(=O)c1ccc(OC)cc1 1635286257 KCBJTDMLDHXOSN-MRXNPFEDSA-N 431.330 4.795 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(Br)cc1 1636562025 HRMLGMGKXSOIBA-ZRBLBEILSA-N 449.348 4.898 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 1640644638 IMHCCOCYBOKGHM-LJQANCHMSA-N 435.593 4.908 30 10 IJEE C#CCN(Cc1ccccc1)Cc1coc(-c2ccc(I)cc2)n1 1645542877 FLRPXNIUACVFHX-UHFFFAOYSA-N 428.273 4.582 30 10 IJEE C=C(C)[C@@H](NCc1cc(OC)c(C(=O)OC)cc1Br)c1ccc(F)c(F)c1 1653343597 XIVCPTHGSUAXIW-LJQANCHMSA-N 440.284 4.930 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C)N2CCc3ccccc3C2)cc1OC 1657030687 MKNCMWUWEQISDN-KRWDZBQOSA-N 445.401 4.559 30 10 IJEE C=CCN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1658452671 DJRMEIIRQGGXCI-MRXNPFEDSA-N 427.900 4.586 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)CC1 1658564440 ZYVNPDHTCXHXJN-QAQDUYKDSA-N 436.512 4.661 30 10 IJEE C=C(C)CCN(Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC 1660407122 MBTPCLJBNMOHCK-YADHBBJMSA-N 430.589 4.644 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC/C=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 1662198653 HWUFDVGECYEDIG-DKDNIPMSSA-N 437.543 4.936 30 10 IJEE CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CN(C(=O)OC(C)(C)C)C1 1667514058 FLSVGMNSJCFFQK-UHFFFAOYSA-N 440.475 4.573 30 10 IJEE C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(C)(C)CN(C)C 1668176430 DWNGSMLPVRXYRH-INIZCTEOSA-N 428.964 4.888 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 1669192032 CCIUKKDQJZDIBC-UHFFFAOYSA-N 439.313 4.544 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)c1ccccc1 1670775665 PVZOUPFJYCIUDD-NRFANRHFSA-N 426.630 4.975 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1noc2c1CC(C)(C)CC2 1672708129 DTESYDKOYCOYQF-UHFFFAOYSA-N 434.334 4.839 30 10 IJEE C#Cc1cccc(CNC(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1673636650 KEKFOCLJYVJXKU-NRFANRHFSA-N 440.469 4.616 30 10 IJEE C=CCc1cc(CNC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)cc(OC)c1OC 1677966402 CEINYQPRDSAZPR-UHFFFAOYSA-N 439.943 4.766 30 10 IJEE C=CCCCCCN(C)C(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1681158487 OUIGNOSGAVASJF-LJQANCHMSA-N 436.394 4.641 30 10 IJEE C#C[C@H](NC(=O)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1682366381 FEGJQIKURJRVEG-LPHOPBHVSA-N 437.943 4.632 30 10 IJEE C=CCn1cc(CNC(=O)N(CC)Cc2cc(C)c(OCc3ccc(C)cc3)c(C)c2)nn1 1683482995 HYYLEQCXCCPSSL-UHFFFAOYSA-N 447.583 4.700 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCn2cc(C)nc21 1689829447 YMHDDXIGEULMRW-KSEOMHKRSA-N 446.599 4.575 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1coc(-c2cccs2)n1 1689863099 MWBYWJSZBNDNFF-GOSISDBHSA-N 447.564 4.697 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H](COC)C1 1689914807 DSJNOWYCFSFHHM-LJQANCHMSA-N 435.597 4.653 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](COCC)C1 1689915178 SBLZRLDSVUODNI-LJQANCHMSA-N 435.597 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCS1 1690214743 VFZKEPUIJQDONL-NTKDMRAZSA-N 440.613 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1690236368 LXYIMNUIXRZFHQ-MZTRBVECSA-N 446.542 4.629 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(N(C)C)nc2)CC1 1690364049 HYTQYIYGNSSHCT-NRFANRHFSA-N 446.599 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(Cl)=C(Cl)C1 1690427995 ADXCOFVMNLVYHA-UHFFFAOYSA-N 438.359 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(NC(=O)c3cc(C)oc3C)CC2)nnc1C(C)(C)C 1690439836 QFQJQMWCYNAUFW-UHFFFAOYSA-N 441.620 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)nnc1C(C)(C)C 1690440006 VFZLSELVYAWVHD-IBGZPJMESA-N 442.583 4.717 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC1(OCC)CCCC1 1690560154 PRPHYGDFRKHLGW-QHCPKHFHSA-N 449.599 4.586 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1692346492 GOWQWXIQTPUZMR-TZIWHRDSSA-N 426.609 4.881 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCSC2)on1 1694293656 DNWYIYGGDXYPTJ-LJQANCHMSA-N 436.585 4.698 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCCCC2(F)F)cc1 1698487176 CJEQOYHXYBZTGO-OAQYLSRUSA-N 443.542 4.631 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)N(C)C 1705484952 ZTFZZVXGXZVDOT-IERDGZPVSA-N 431.987 4.706 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(C)(F)F)c1 1705505512 LIBPZWRYCKRGMZ-NSISKUIASA-N 430.543 4.815 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(C)CCCC1 1705621732 MOXRJBGXWQYMHV-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 1705653374 GLAWGFROWBTNLY-IBGZPJMESA-N 436.547 4.965 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1705713567 LGYXMRJWGPQITA-UHFFFAOYSA-N 425.577 4.747 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(F)c(F)c1 1705721608 MFAZDBNTRRFOEI-UHFFFAOYSA-N 436.304 4.537 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1705763722 BZVHZAKJSFUEHL-IRXDYDNUSA-N 431.378 4.679 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1)c1ccccc1 1705797573 YNLNOBCHRPGNMT-DFQSSKMNSA-N 436.522 4.993 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1Cc1cnccc1OC 1705865858 ZGFXRTQVOQVRJE-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705942369 QEIINKJZRVVYSY-HKUYNNGSSA-N 430.618 4.896 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1705948042 GKXLQTJZVYRNOM-IBGZPJMESA-N 436.984 4.520 30 10 IJEE CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@](F)(C#N)C1)SC 1708681186 BPCWOEDUXQHTHS-QFIPXVFZSA-N 445.608 4.838 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1722301796 NNINLHOSQBQQGZ-RCZVLFRGSA-N 433.644 4.771 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@@H](C)C1 1722388648 GVSHRTTXHWSVAK-PMACEKPBSA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1(COC)CCC1 1722405069 JKNBBGLYNFWMEV-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCCN1CCC[C@@H](C)C1 1722420750 IVXRXVWRSKXAJN-OAQYLSRUSA-N 437.607 4.837 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCCCC1 1722494259 BSUQPTNHYKNXER-OFNKIYASSA-N 440.588 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](OCc2ccccc2)C1 1722510867 XJHQFMUJMHHKJH-AKFKNWHVSA-N 438.616 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1CC2(CCOCC2)C1 1722511585 DAVSRXASFLDLOG-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCCCC1 1722527478 KQZNDPVQPLLUBY-UHFFFAOYSA-N 425.577 4.509 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1722605982 AEQMIYIZXKEELV-UHFFFAOYSA-N 441.595 4.841 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCCSC 1722640988 LNBBJPDYQPBSJH-GOSISDBHSA-N 437.654 4.548 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(-c2ccsc2)nc1 1722644933 UUAINSJURACVPG-TZIWHRDSSA-N 437.613 4.991 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)noc1C 1722673488 UDEQMHIQXFBZHD-UHFFFAOYSA-N 448.958 4.882 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740541256 VVDYCYULHKUTOD-BURNTYAHSA-N 448.567 4.779 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCCCC1 1740635489 KAXCKBNNQUWFOT-UHFFFAOYSA-N 425.374 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccccc1Cl)N(C)C 1740729985 PFXOXTZNNIZXFD-RCZVLFRGSA-N 449.002 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CC=CCC1 1740767484 VLOXLHKXVWIUMK-LJQANCHMSA-N 429.996 4.736 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 1740791122 UTJKKTCDVQGQGN-HXUWFJFHSA-N 427.549 4.783 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740800549 FWJJWXRTCWGTGQ-VDGAXYAQSA-N 427.980 4.915 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1740819762 CTUMENQBZNXNNL-UHFFFAOYSA-N 447.549 4.938 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)N2CCCCC2)CC1 1740824454 LWFNWGSHCXCLGL-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cnn(CC)c2)CC1 1740829372 USYLMQWBNJTPCW-UHFFFAOYSA-N 447.370 4.585 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2csc([C@H](C)OC)n2)CC1 1740835430 RYEQFRFIYFUCNI-INIZCTEOSA-N 439.585 4.568 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC2(O)CCC2)CC1 1740842121 NKRXJKZIPOYADP-UHFFFAOYSA-N 433.021 4.931 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1740843702 NVRNNEAYVYXBPG-HXUWFJFHSA-N 437.588 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1740851050 PETMGHJQIQYJJB-OAQYLSRUSA-N 439.648 4.971 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(=O)NC(C)(C)C 1740860152 WJMVMFPIFGSNGR-QGZVFWFLSA-N 443.661 4.839 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740868880 VQKNHLVAJYXEPQ-UXHICEINSA-N 438.551 4.870 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cccnc1OCC(F)(F)F 1740891717 HMWZUGKSGCEVLV-IBGZPJMESA-N 445.489 4.827 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC(C)(F)F)C1 1740975127 SGUKYYNLGQLEFV-INIZCTEOSA-N 441.320 4.534 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccs1 1741004159 QOTZQEJIFBBFAM-QGZVFWFLSA-N 431.656 4.956 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1 1743002230 GMAQLEZUMIQITL-UHFFFAOYSA-N 448.615 4.671 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1746964491 BGGOVWRGXHDBIF-WOJBJXKFSA-N 427.618 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(CCOC)CCC1 1749053837 MRAQNNJAPXKCSU-YADARESESA-N 440.563 4.756 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC1CC(F)C1 1749134943 ACRXZQZJCPNFAF-VEPLXINESA-N 442.579 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccco1)N1CCCCC1 1749155938 NEQSURJAGRDIEN-UNMCSNQZSA-N 427.593 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1749159699 XDBZIGGMIMAILE-LJQANCHMSA-N 441.576 4.580 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)CCC)C1)c1ccccc1 1749242349 GVPLGUWUQIGPBN-OAQYLSRUSA-N 447.583 4.693 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 1749431229 YFRGXKNXSXLPPJ-UHFFFAOYSA-N 440.542 4.714 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCSC1(C)C 1749507097 RUSRRBRMUUQJNM-IRXDYDNUSA-N 435.638 4.504 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)C1CCCCC1)C1CC1 1749521848 TUFIFBXKPBLVHK-DEOSSOPVSA-N 430.543 4.633 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1 1749530971 AUZZJFIZPBFDNP-YADHBBJMSA-N 437.613 4.522 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCCN(C(C)C)CC1 1749621497 BWQILLDBGVZQBG-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1749703453 IVYAWQVQZQTNER-BJKOFHAPSA-N 447.583 4.570 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccon1 1749745657 CSUHWPRQTYQELH-HNNXBMFYSA-N 429.615 4.675 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1CC(C)(C)c1ccc2c(c1)OCO2 1750791861 AZXZZKIZTOHKFD-UHFFFAOYSA-N 448.571 4.746 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)C1CCCC1 1760147699 XBCNDMCMGWLHMS-UHFFFAOYSA-N 431.378 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760317316 DRFXEDYGWLEABZ-UFGBVDADSA-N 439.560 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1760339405 HLQDWBIUYGKJTA-HXUWFJFHSA-N 441.620 4.721 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1760358956 CSRXCXIZMOYNAA-UHFFFAOYSA-N 436.572 4.929 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760415388 XHEIOAZFSQZDKG-HXUWFJFHSA-N 428.625 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1 1760415693 IEANJYLXSNLZHY-QZTJIDSGSA-N 430.618 4.798 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1760424513 KHOJKDUUKXISTP-UHFFFAOYSA-N 434.588 4.640 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1760445681 SAQOOQXNRRSQDD-FQEVSTJZSA-N 439.604 4.612 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC2(CCCCC2)O1 1760491209 XOQVHWHMABQYSQ-OAQYLSRUSA-N 437.544 4.914 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@](C)(CC)O1 1760498920 IPTGRTSJRSYEFR-UMFSSWHCSA-N 438.616 4.755 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1Cc1ccc(F)c(C)c1 1760501532 SYLNSHGTRNDGRB-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(CN2CCCCCC2)CC1 1760513625 RADWNRAZZHQPNC-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@H](C)OC)C1 1760537970 UZZLBOWHVULEJR-LPHOPBHVSA-N 442.560 4.629 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCCS2)C1 1760550382 XOHHOSPKTUHSKL-UNMCSNQZSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC=C(C(C)(C)C)CC1 1760563561 VZCOREUPQWPAHQ-UHFFFAOYSA-N 426.586 4.776 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCc1cc2ccccc2s1 1761076495 CHIRHJGUBUFFMS-UHFFFAOYSA-N 447.612 4.902 30 10 IJEE CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1NC(=O)OC(C)(C)C 1763489067 HEHAHBBQOGSFCH-SJORKVTESA-N 426.565 4.783 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)s1)[C@@H]1CC[C@H](C)C1 1771086378 GUUVGUWGCHLZBF-LAUBAEHRSA-N 435.597 4.876 30 10 IJEE N#CCC1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2ccoc2)CC1 1771538736 HFHVUXMSGHWRLG-UHFFFAOYSA-N 444.308 4.618 30 10 IJEE O=C1NC(=NN=Cc2ccccc2OCc2ccccc2)S[C@H]1Cc1ccc(F)cc1 1772742305 LENVWCSPGJVBEM-QFIPXVFZSA-N 433.508 4.569 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccnc(NC(=O)COc2ccc(Cl)cc2Cl)c1 1860507714 NRRQDPMFUPFYKY-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861162076 AYUQWDXLSLCGRC-OAQYLSRUSA-N 447.639 4.799 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 1861889566 OUAGDYXLSJCEDL-LJQANCHMSA-N 436.943 4.592 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)c(OC)c1 1862384391 YAFJIJIONPBOCF-SFHVURJKSA-N 436.291 4.696 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)cc1 1862430880 UXQSOGGVBJBFQL-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1862448839 WPQSUOLPKKTVED-LJQANCHMSA-N 438.823 4.620 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862511785 QDTNBIFWKXVQHL-QFIPXVFZSA-N 441.499 4.863 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862568520 QLZWYGKZLLBRFX-DEOSSOPVSA-N 442.515 4.835 30 10 IJEE CCCCC[C@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c(O)c1 1862591515 IJMFBLTVIDTPAP-JTSKRJEESA-N 439.508 4.741 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2)cc1 1862626993 HYUSRYDSADGWLS-XMMPIXPASA-N 441.483 4.756 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC)cc1 1862628063 UUTVCQGKIQFBJC-QFIPXVFZSA-N 437.492 4.583 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862678415 NGPPEEGOIFFSRM-QHCPKHFHSA-N 448.469 4.809 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 1862960144 YPMFLRRXDMNQHU-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(CC)cc2Br)=C(c2ccc(F)c(C)c2)C1=O 1863466780 SDEWEBCUIPVASS-UHFFFAOYSA-N 443.316 4.837 30 10 IJEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2ccccc2OC)C1=O 1863765296 SGFYRXWAUREQIC-UHFFFAOYSA-N 434.580 4.968 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 1868119540 TZIKZNUIWFTXHF-LJQANCHMSA-N 430.342 4.626 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCc3cc4ccc(C)cc4nc32)n1 1868266331 WFBKBBALBJCDQA-UHFFFAOYSA-N 436.519 4.832 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccccc3C#N)cc(N(C)CCc3cnc[nH]3)n2)cc1 1868534695 VXYDHXLKDJYCTK-UHFFFAOYSA-N 439.523 4.560 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc([N+](=O)[O-])cc2)cn1CCC(C)C 1870683816 AIVYHXJUZICNDW-UHFFFAOYSA-N 425.529 4.556 30 10 IJEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CNc1cccc(Br)c1 1870894594 JMYWXDIMIDCQMM-UHFFFAOYSA-N 425.326 4.988 30 10 IJEE C#CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(F)c(Cl)c2)cc1=O 1871005524 KCTCLFPZWYZEIY-UHFFFAOYSA-N 431.294 4.967 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCCc4ccccc4)ccc3C2=O)c(OC)c1OC 1871399465 LCFYGQODJACARA-HAHDFKILSA-N 432.472 4.950 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871412023 UEMVZAOLJASAIM-GLFIFPSUSA-N 433.460 4.927 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 1871876601 LPGMYQALWCJZNO-QGZVFWFLSA-N 426.991 4.776 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872254896 OKXPOYWVIHLZCI-OAQYLSRUSA-N 444.597 4.605 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OC)c(Cl)c1)S(=O)(=O)CCCC 1872347369 BFIQOZZVVIWBJB-LJQANCHMSA-N 445.025 4.854 30 10 IJEE CCc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872761290 KETFQYKSRBIINE-NHCUHLMSSA-N 429.545 4.597 30 10 IJEE CCOc1cc(/C=N/Nc2oc(-c3ccccc3)nc2C#N)cc(Br)c1O 1873470595 MEFWBNWYMONEDZ-SSDVNMTOSA-N 427.258 4.526 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873647154 QOKMWQZKQYIVTH-KDURUIRLSA-N 447.583 4.826 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(N(C)C)c1)n2CCCC 1873657097 XMUMVSFKXUWCGG-UHFFFAOYSA-N 432.572 4.728 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccc(N(C)C)cc2)CC1 1874286822 ZLZXPGBKRUTAPS-JJIBRWJFSA-N 429.634 4.775 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(N(CC)CC)cc1 1874289840 ZTLOEPQSAMUKJB-LFVJCYFKSA-N 439.585 4.706 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccn1 1874393311 JFVDSIQKIJTJTQ-STPJHCLOSA-N 444.520 4.908 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2cccc(O)c2)cc1 1874421316 GKSOILVWFMVIFP-CIAFOILYSA-N 437.506 4.795 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)c1 1874465542 OAYYBYRLFZGWAT-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)c1 1874495030 QRXZOWIJGFEHAA-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OCC 1874621408 FGNYQJIDQPZOHJ-SOFGYWHQSA-N 449.906 4.688 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)COCc1ccccc1 1874698515 AHFMKAGKNNHVPJ-WYMLVPIESA-N 432.472 4.722 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1875105316 OBNCMTTYURGADC-CZXUKVBWSA-N 436.247 4.882 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)CCOC)c(OCC)c2)c1 1875172470 WCUVIJSEVPDSOX-DHZHZOJOSA-N 442.508 4.721 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)[C@H]1CCCO1 1875182067 LIRUEQQRGAEKTC-CPSHHHPTSA-N 430.884 4.646 30 10 IJEE CC#CCCSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320426 DMEDBSPWCJHFFA-JOCHJYFZSA-N 437.561 4.904 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@]1(NC(=O)OC(C)(C)C)CCSC1)NCCC 1922119107 LYDMEKQFBZKGEX-URXFXBBRSA-N 434.646 4.918 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C=O)Cc1c(Br)cccc1Br 1937828609 LWOFEQDXNITLIJ-QGZVFWFLSA-N 447.167 4.723 30 10 IJEE Cc1nn(-c2ccccc2)cc1C=C1CN(C)CC(=Cc2cn(-c3ccccc3)nc2C)C1=O 2040464869 JNJSCPZYJOASTQ-UHFFFAOYSA-N 449.558 4.656 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2N1c1cc(Br)c(C#N)cc1F 2174766065 UCCWGHZJWRAAGS-RVSPLBMKSA-N 438.341 4.732 30 10 IJEE CC(C)N[C@](C#N)(COc1ccc(OCc2ccccc2)cc1)C1(Br)CC1 2206668456 RWSPPBZTYNBMAS-JOCHJYFZSA-N 429.358 4.832 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](N)C#Cc1ccccc1Br)c1ccccc1 2235723811 FFBYZOFKWVLTHV-ICSRJNTNSA-N 429.358 4.784 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C 2235732915 SRTPLLDZWYMMBM-DBVUQKKJSA-N 437.422 4.964 30 10 IJEE CC(C)n1ncc([C@H](O)C#Cc2ccccc2Br)c1NC(=O)OC(C)(C)C 2235741913 WBRPTULXUPCAKO-QGZVFWFLSA-N 434.334 4.659 30 10 IJEE COc1cccc(C#C[C@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)c1 2237736973 ZERJQCMIBFYZGQ-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)C[C@H]2CSC[C@@H](C1)N2C(=O)OC(C)(C)C 2244165288 OKEZGKRWCIIBSK-ITWRHLBUSA-N 439.622 4.799 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)CC2CC2)c(B2OC(C)(C)C(C)(C)O2)c1C 2247932127 HMVCOJKJYNHSMV-UHFFFAOYSA-N 425.403 4.717 30 10 IJEE CC1(C)OB(c2cc(Cl)c(C(=O)N(Cc3ccccc3)C3CC3)cc2F)OC1(C)C 2248028068 DTYSDULAZZTKDH-UHFFFAOYSA-N 429.728 4.583 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2262200741 UYFRJQHMZLRFRO-KEVCNVLYSA-N 445.556 4.551 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2265860598 REPBXVIGRMLBOU-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE O[C@H](C#Cc1cccc(Br)c1)c1ccc(Cl)c(I)c1 2278788214 BLYLKDAVNPBZHV-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CCN1C(=O)C(=Cc2cc(Cl)ccc2OC)SC1=Nc1ccc(C(=O)OC)cc1 2293716049 MKEOJIVWPDXRRH-UHFFFAOYSA-N 430.913 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)C#Cc1cccc(Br)c1 2296217111 QRZVEUGSRSKFFH-LJQANCHMSA-N 428.326 4.506 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)F 2296271365 DZGOPHASGSPIBX-ROUUACIJSA-N 441.385 4.810 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296280202 XVXYMBLKFGXJOE-QRVBRYPASA-N 435.406 4.718 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296297148 VZQDSIUFQOLAGY-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC(F)(F)CCNC(=O)OC(C)(C)C 2296299939 AYMHCIAFPKWVRF-KRWDZBQOSA-N 445.348 4.719 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296307187 QWLLJGGZDLBRBU-CEXWTWQISA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CC2CC2)C(=O)OC(C)(C)C)[C@H]1C(F)(F)F 2303929080 ABNHBLOSLBWSET-MGPUTAFESA-N 447.498 4.858 30 10 IJEE CCc1ccccc1NC(=O)CSc1nncn1N=Cc1ccc(Cl)c(Cl)c1 2321240891 OXTKRUOXAQGRKT-UHFFFAOYSA-N 434.352 4.760 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(CCc2cnc[nH]2)CO1 2322199166 HCIBHTSXZHQYEQ-UHFFFAOYSA-N 442.302 4.727 30 10 IJEE Cc1cccc(N2CCN(C(=O)C(=O)C=Cc3cccc(OCc4ccccc4)c3)CC2)c1 2323230482 BOVWCKJIMLJAAH-UHFFFAOYSA-N 440.543 4.505 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)cc2)cc1OCC 2323629928 WYIRSPBQKBYFGA-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1OCCCO 2324430116 KWZSJHWBSRCVMK-UHFFFAOYSA-N 446.927 4.752 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 2325666193 HWIRTHZBCMADQG-UHFFFAOYSA-N 427.806 4.987 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 2325722159 VUPZDDGGWMKKTE-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CN(C)c1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4F)ccc3C2=O)cc1 2325739079 URUIWIYETUSJRO-UHFFFAOYSA-N 432.451 4.525 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(C)cc1 2325919657 JWTJXWWDAMRKSD-JOCHJYFZSA-N 445.592 4.653 30 10 IJEE OCCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1 2326618298 TYIQYYHEQGZNBW-UHFFFAOYSA-N 434.540 4.712 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2N=Cc2ccc(OCC)cc2)CC1 2328142951 OKAMCUIQJIXBCK-UHFFFAOYSA-N 443.617 4.600 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(C)c1 2329523171 QRODRVXQQSOIJH-UHFFFAOYSA-N 441.988 4.750 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c(O)c1 2329758326 FFUPTJOGRBUSLE-UHFFFAOYSA-N 448.523 4.636 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccccc1Cl 2329867041 QZNMINIRVHQIAC-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE Oc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1cccc(F)c1 2329898427 UDLCVMUPVVXFHB-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2330631918 UKQUURBTDBONPE-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCCC2)cc1O 2331066191 XMXUJNJDEWIHDZ-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1Br 2331360271 RMNQJFWGJUTFRP-UHFFFAOYSA-N 433.298 4.604 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(C)c2)cc1 2331437899 RGSUBIQGFWRQDL-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)cc1 2331716819 UQBSVJXDLVDHNR-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC(C)(C)[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339578998 OYXKQZOIEHZHID-HKUYNNGSSA-N 444.381 4.797 30 10 IJEE CC(C)(C)OC(=O)NCCC1CC(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339601604 YUFAFUGOKOWWKF-ZRDIBKRKSA-N 444.381 4.798 30 10 IJEE CC1(C)OB(c2cc(Oc3ccc(Br)c(Cl)c3)ncc2F)OC1(C)C 2345746600 XPCAJBQFHKRPMR-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE Cc1cc(CNC[C@]2(C)CN(Cc3ccccc3)C[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679271 DUXMGTAHBZJWTQ-SKCUWOTOSA-N 448.460 4.542 30 10 IJEE C=C([C@H](NCCC)[C@]1(O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1)[Si](C)(C)C 2370882577 GDFMVIJEOXCEHR-FIXSFTCYSA-N 432.681 4.586 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC)cc1 38592533 FIWJRZUPJGQCPX-QHCPKHFHSA-N 433.504 4.556 30 10 IJEE COc1cc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)cc(C)c3C2=O)cc(OC)c1OC 41250136 KJNJLWHHVDWCPX-MFOYZWKCSA-N 426.465 4.589 30 10 IJEE Cc1ccc(/N=C(\NCc2ccncc2)NC(=O)c2ccccc2Br)cc1C 45940506 WURRNXCONZZDSM-UHFFFAOYSA-N 437.341 4.668 30 10 IJEE CC1(C)CC(=O)C=C(NCCCN(C(=S)NCCc2ccccc2)C2CCCCC2)C1 59942399 HRWJGSMJPDVYIT-UHFFFAOYSA-N 441.685 4.991 30 10 IJEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/CCCCCCC(=O)OC 103884394 STIXHJDOQVONMX-ZCGWOIPMSA-N 445.610 4.639 30 10 IJEE COc1cc(/C=C/C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)ccc1OCC#N 110640652 ZRBUXNGCSQXWNM-PKNBQFBNSA-N 432.480 4.731 30 10 IJEE CCCCN(CCCC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccnc1 136328055 YQBOPFVOUIGSJY-SBXHHDGASA-N 449.595 4.796 30 10 IJEE CCCOc1ccc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1Br 169911323 QMRRBLNSNWNSQA-HMAPJEAMSA-N 445.386 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccnc1)c1ccc(Cl)cc1 170010013 DFAUPOWKSXDMDF-IBGZPJMESA-N 441.270 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccnc1)c1cccc(Cl)c1 170012143 BFUWSRWGICJPRP-NRFANRHFSA-N 436.870 4.695 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCOC(C)C)c1 170035204 LEJAGEZITZVKEX-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE COc1ccccc1C1=C(SCc2ccccc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170062926 QIHHCVGPYCIMRT-UHFFFAOYSA-N 426.497 4.785 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1F 170072021 GADIQKHNKYNCMM-QFIPXVFZSA-N 437.467 4.965 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2sccc2C)c(C)c1 170107568 UVIBBYDFLWIRRK-HXUWFJFHSA-N 443.565 4.767 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 170126243 CSOLXCQGZUEDRX-QFIPXVFZSA-N 434.492 4.564 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(N(C)C)cc1 170129449 NXTBSAXLZZBENE-QHCPKHFHSA-N 436.552 4.838 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)c(C)c1 170130163 MJCPUQKWAGEMTD-OAQYLSRUSA-N 435.501 4.549 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)cc1Cl 170135585 RRJOJDFJQUCGTH-NRFANRHFSA-N 441.911 4.965 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)cc1C 170144756 PKTOHXFEMRXNEO-XMMPIXPASA-N 442.515 4.876 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccs1 170154955 XPGUGXHCDCRTNJ-NRFANRHFSA-N 425.550 4.630 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)cc1C 170246993 KDTUIISZFPDSKV-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2F)c(OC)c1 170248471 ZDBOJZJCSQPYDQ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@@H]1c1ccccc1C 170277217 SBVHOHYSKYXHDG-IBGZPJMESA-N 444.325 4.754 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303466 OKEDYBXVPQOSTD-LJQANCHMSA-N 438.823 4.933 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(OC)c(O)c1 170321972 WSSFQGWNDZNZBI-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)c1 170372831 KEIHMHMLROGUPR-OAQYLSRUSA-N 431.444 4.628 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2C)c1 170398878 YQPJKNMVLSCPRV-HSZRJFAPSA-N 441.483 4.955 30 10 IJEE CC1(C)OB(c2ccc3c(cnn3[C@@H]3CCCCO3)c2OCc2ccccc2)OC1(C)C 196868667 KTRMHEHBGJSTRM-QFIPXVFZSA-N 434.345 4.614 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(OC)c(Br)c1OC 407571168 KQHCRBOCBURAQX-WMLDXEAASA-N 443.382 4.586 30 10 IJEE N#Cc1ccsc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 470593196 VNNHFIRDICARLC-CQSZACIVSA-N 434.361 4.871 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 475944501 DYRMXWSGOGMDKH-UXHICEINSA-N 433.321 4.816 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 494196846 ZXUQAVFFCFPLIA-UHFFFAOYSA-N 439.585 4.615 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](CSc2ccccc2)C1 508463347 GMVURTVFWNRJTN-GOSISDBHSA-N 436.581 4.767 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 508498610 UDQCRHIPSTUDIM-RUZDIDTESA-N 440.547 4.795 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526487092 USZSICUBMHQHHL-DEOSSOPVSA-N 442.471 4.815 30 10 IJEE N#Cc1cccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)c(F)c3)C2=O)c1 526669354 STSQAIVTXHQSCA-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 537264572 PJVJJAOMJCILDJ-INIZCTEOSA-N 443.485 4.749 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CC1 540351219 FFROYUITTGUCGT-KWUNMVGSSA-N 434.584 4.631 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCn4c(cnc4C4CCCCC4)C3)n2)c1 544396952 SJYNOKFCWXONMO-HXUWFJFHSA-N 431.540 4.627 30 10 IJEE C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549273233 WTAOSKIRLJCNFD-YWZLYKJASA-N 427.980 4.973 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 580638843 BAZOZJLGAHGHRR-UHFFFAOYSA-N 446.454 4.526 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)Cc3c(Cl)cccc3Cl)c2C#N)C1 586301993 WLOLXKZBNDKBQT-DQQVXTMASA-N 441.405 4.939 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](OC(F)F)C1 642715422 DGWXDCNBADCJKV-KRWDZBQOSA-N 440.922 4.646 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 669807698 CNOYIHCGEMLUML-WIOPSUGQSA-N 432.568 4.690 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 685541311 GXRHDXDVMDYJQK-UHFFFAOYSA-N 448.445 4.944 30 10 IJEE C=C([C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(F)(F)F 693671295 JKQFEBYKYPUYAW-IBGZPJMESA-N 441.538 4.643 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@]3(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698493957 RZLHRZYDLMQCPF-OVBMEBQYSA-N 439.556 4.966 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC 728766769 KAHUNBXCMPPREV-QHCPKHFHSA-N 445.563 4.991 30 10 IJEE CCCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2c(CC)cccc2CC)cc1 729187369 BDPUSTRYIUBBBW-QFIPXVFZSA-N 433.552 4.645 30 10 IJEE COc1ccc(C[C@H](C)NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1OC 740050212 IUQCFIMWMDEFTP-INIZCTEOSA-N 435.549 4.734 30 10 IJEE CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740059077 FJWACQWUFFYSMN-LJQANCHMSA-N 433.533 4.658 30 10 IJEE N#Cc1cc(COC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)ccc1F 767504502 BMFKPSQPMCHVPP-UHFFFAOYSA-N 440.500 4.890 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2Cc3ccccc3C3(CC3)C2)c1=S 774675337 GKVIQCOTLDMNAW-JOCHJYFZSA-N 446.576 4.617 30 10 IJEE COc1ccc([C@H]2[C@@H](C(=O)N3CCC(C)(C#N)CC3)CCC(=O)N2c2ccc(C)cc2)cc1 780779462 GDQDYUJHELWBGN-ZCYQVOJMSA-N 445.563 4.640 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NCC3CCC(C#N)CC3)c3ccccc3O2)C1 799724894 AQMFAIFFBWTEOS-PLDDNXQDSA-N 425.573 4.809 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1=S 799942540 NJHUWUIRQOIEJG-QGZVFWFLSA-N 440.642 4.698 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)cc1 1084017491 VOZMCQCKOSCBPW-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C=CCCOCC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1125044928 YGHUQNHDJFLJHY-LJQANCHMSA-N 439.408 4.863 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)c1 1125505674 VGSGUJSKTZAZDO-UHFFFAOYSA-N 442.584 4.970 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1126653842 JWEVUXVEFNJYPU-VWLOTQADSA-N 444.572 4.855 30 10 IJEE C#CC[C@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)c1ccccc1 1127326842 XWYXUQWPWUZTGO-PMACEKPBSA-N 432.442 4.505 30 10 IJEE C=CCN(C(=O)[C@@H](OC)c1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1128110675 DKHDDWILSLINTN-RTWAWAEBSA-N 449.469 4.582 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(Br)cnc2Cl)CCCN1C(=O)OC(C)(C)C 1128236947 BLPXNZAVLOEDGL-SFHVURJKSA-N 444.757 4.782 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 1138569335 TXOCYNMLPPIION-FQEVSTJZSA-N 441.572 4.564 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 1150561005 SCBKLJJXVBYKBA-QGZVFWFLSA-N 444.334 4.655 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)cc1 1153643926 OAJUWFQVIYFFKN-UHFFFAOYSA-N 438.524 4.562 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)OC 1155467428 RGTZLLZVDPRJFZ-QGZVFWFLSA-N 432.860 4.668 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3c(F)cccc3F)cc21 1157639451 DJALBIYRTKVFAF-FQEVSTJZSA-N 442.466 4.705 30 10 IJEE CC(C)(C)N(Cc1ccccc1)C(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1189600466 CVZAOGBZLXLRQS-UHFFFAOYSA-N 439.968 4.929 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)C1CCCCC1 1221909439 HQRUUFFRRAMHRQ-SFTDATJTSA-N 428.577 4.804 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCCC1 1286279085 SGTUVCQKNLBECL-MSOLQXFVSA-N 430.980 4.615 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@H](C)N1CCCCC1 1286406290 SSBWDKIAPFRHPP-JOCHJYFZSA-N 431.628 4.580 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1286506808 NYUQWOFMBKNPPD-HXUWFJFHSA-N 440.613 4.661 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1286532440 FEQJSBLIOCWJDR-AWEZNQCLSA-N 428.309 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(F)(F)F 1286550240 CMAYGLXTOHPNAR-RKVPGOIHSA-N 442.457 4.537 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCC(N2CCCCC2)CC1 1286635950 HAJBEZBHNFXJBL-UHFFFAOYSA-N 444.023 4.627 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCN2CCC)CC1 1286638685 JJIAZTRUUCYEQX-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(OCC(F)(F)F)nc1 1286718957 GUEFQRYBHUZXSN-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1nc(C(F)(F)F)cs1 1286743804 TXIWYMXIQHXNEP-UHFFFAOYSA-N 444.486 4.989 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCO[C@H]1C(=C)C 1286753398 BXKVVXXVDQPFFI-YKSBVNFPSA-N 429.568 4.961 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC 1286763800 USLWHHLUKJMJPF-UHFFFAOYSA-N 445.361 4.954 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N(C)Cc1ccc(Br)o1 1286777225 LMRPOIGYCWPFNR-UHFFFAOYSA-N 431.334 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)Cc2cccs2)C1 1286805509 SRGKAVJGFUYAMX-NQIIRXRSSA-N 438.597 4.675 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286826155 YHCQEMJTTOCZRJ-IBGZPJMESA-N 428.993 4.593 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1286827543 SLJWLYDBVAOOTN-LJQANCHMSA-N 448.951 4.828 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(F)(F)F 1300344948 MJERFUAQZRQBGM-UHFFFAOYSA-N 433.247 4.649 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCSC1 1300817626 TVDUVTQBIJYXTJ-FDDCHVKYSA-N 442.654 4.714 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(F)(F)C1 1300898277 WWLFLWJJPMOFES-FXAWDEMLSA-N 434.556 4.705 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2CCCCC2)C1 1301546707 UWJLCCGJWBVYIF-NRFANRHFSA-N 440.588 4.714 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 1301558544 WWGOETLUBOWOLR-XZOQPEGZSA-N 439.648 4.513 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@H](C)C1 1301602316 OGHOAMRPRCXDIC-SFHVURJKSA-N 430.618 4.898 30 10 IJEE CC(C)SCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1303573911 HQURBHWUPGAMCB-UHFFFAOYSA-N 440.661 4.517 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)c3ccc4nc(O)n(CC(F)(F)F)c4c3)n2)c1 1306799481 MXNAQKJSNWFKQO-UHFFFAOYSA-N 443.410 4.552 30 10 IJEE C=CCn1c(SC[C@@H]2CCC(=O)O2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1307251901 LNZFUJAHQXWQHG-HNNXBMFYSA-N 430.526 4.556 30 10 IJEE CCCOc1ccc([C@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 1307630136 FWJBMJXPEJHXCZ-HNNXBMFYSA-N 427.570 4.585 30 10 IJEE Cc1cc(Br)c(Cl)cc1S(=O)(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1309603722 DZVHRXVTVUCMSJ-LBPRGKRZSA-N 427.751 4.664 30 10 IJEE C=C(C)COc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 1310257242 NRFZTJSSCLKDET-MEMLXQNLSA-N 439.512 4.887 30 10 IJEE C=CCc1ccc(OC(=O)c2cnn(-c3cccc(Br)c3)c2C)c(OC)c1 1350141386 YOCBXXPRCBQPGH-UHFFFAOYSA-N 427.298 4.900 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)OCc1cc(Cl)c(OC(F)F)c(OC)c1 1352726383 DWIFNIBOIUNEMH-UHFFFAOYSA-N 428.815 4.880 30 10 IJEE Cc1c(C#N)c(NC(=O)CCN(C)C(=O)OCc2ccccc2)n(-c2ccccc2)c1C 1354813428 CSNFECOPTBBCIS-UHFFFAOYSA-N 430.508 4.563 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](OC)C(C)(C)C 1358879127 LOKUWWWGIYPRHO-XMSQKQJNSA-N 436.556 4.636 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC[C@H]1CC 1359014404 IDWLTTSMOGEYJB-HXUWFJFHSA-N 446.064 4.948 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)c1nc(C)cs1 1359015378 RLLZXTXEFVUSJI-INIZCTEOSA-N 425.577 4.923 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2(CC)CCC2)CC1 1359033193 STXOGRVXPNEVKE-UHFFFAOYSA-N 449.643 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)CN1CCCC1 1359073446 PUWLCRCZDATAPK-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1359125463 DYZVHSOLHQFNHK-DHIUTWEWSA-N 449.599 4.692 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCC(C)CC2)CC1 1359173241 ADBPODZKHIALBP-HXUWFJFHSA-N 441.595 4.692 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 1359195398 LSIWXWRJQQDRKW-RBUKOAKNSA-N 436.522 4.994 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccccc1F 1359202161 LEEAQPKQHOTKKE-MRXNPFEDSA-N 425.508 4.699 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1359252627 ZQIDMPLLDURILT-LJQANCHMSA-N 445.633 4.635 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)cc1 1359264155 WKTWLLBHFIJPJW-IBGZPJMESA-N 426.561 4.808 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1359279930 YCDHOWWCKFLCRO-JTHBVZDNSA-N 436.556 4.653 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2(COC)CCCC2)C1 1359318202 YTKSCGUORLZGTE-IBGZPJMESA-N 445.007 4.977 30 10 IJEE C=CCC[C@H](NC(=O)Cn1cnc(-c2ccccc2)cc1=O)c1ccc(C(F)(F)F)cc1 1435635165 OJTRKVXENHJWHG-FQEVSTJZSA-N 441.453 4.753 30 10 IJEE C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cc(Cl)ccc1OC(F)F 1435735467 CTKZZPOWWYSSED-OAHLLOKOSA-N 449.885 4.846 30 10 IJEE C#CCSc1ccc(COC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)cc1 1435910052 TZVAKLKZLKFGIV-UHFFFAOYSA-N 437.561 4.517 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CSc3ccc(Br)cc32)cc1OC 1436129161 SRCSMUACJBRNAJ-HFTQHKIXSA-N 446.366 4.999 30 10 IJEE Cc1cc(N2CC[C@H](Nc3nc(C(C)(C)C)ccc3C#N)C2=O)ccc1Br 1458307360 DWQKDCDDOYOVEP-KRWDZBQOSA-N 427.346 4.539 30 10 IJEE C#CCN(Cc1ccc(O[C@H](C)COC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1461987025 NRQPHCLOXGHWRJ-VGOFRKELSA-N 444.369 4.822 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1OC 1474347879 XVNIWWMQBRUYBA-UHFFFAOYSA-N 446.950 4.581 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)Cc2cccs2)C[C@@H](C)O1 1499696261 GJYIIOIMJGDUMV-WAOWUJCRSA-N 435.597 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCCN1CCC[C@@H](C)C1 1507519113 YBSUWRYGJWYIEX-HKBOAZHASA-N 441.595 4.527 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C)CCCC1 1507680510 IARBRSGRTKLNCU-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CCC(F)F 1507811000 ZLOADRVWJAIVIG-PGRDOPGGSA-N 434.531 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCC(C)CC1 1507819325 ZMJJCNBYATXRJY-JOCHJYFZSA-N 447.631 4.654 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507872057 FKAAEPVEZKTYOB-BETUJISGSA-N 431.314 4.991 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1 1507874193 YPUTUWAUPPBDAO-OAHLLOKOSA-N 426.870 4.620 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](OC)C1 1507911571 MXFZLZWXNZDUOW-IBGZPJMESA-N 428.577 4.568 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 1507937992 WBGUHHYTFYIJAE-QHAWAJNXSA-N 426.609 4.628 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1Cc1cccc(COCC(F)(F)F)c1)C1CC1 1507989664 HHEHTTWPQSJENW-UHFFFAOYSA-N 443.473 4.622 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)Sc1ccccc1)C1CC1 1507997044 PUIBSTUCZCHYOZ-INIZCTEOSA-N 425.627 4.969 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CCN1CCC[C@@H](C)C1 1508003075 SEAGGRPQZIHVGT-OAQYLSRUSA-N 435.641 4.855 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CCc1scnc1C 1508008282 LMVTWTFWGHWXGR-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CC=C)C2CC2)cc1 1508104097 JZGZHMLFBLKUAM-DHIUTWEWSA-N 436.600 4.965 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCSC[C@@H]1C 1508151577 YPMQUNLPJUDELK-HOTGVXAUSA-N 434.700 4.992 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1508153594 NRARUEMFKZWFPZ-AVRDEDQJSA-N 435.597 4.855 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1cccs1)N(C)C 1508415154 CEELMMYSDMTDHN-MAUKXSAKSA-N 428.993 4.559 30 10 IJEE C[C@H]1C[C@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1511985050 GJPHGVCSWFDXLJ-PMACEKPBSA-N 426.653 4.822 30 10 IJEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1512101672 GNHHGLADFCWGES-QUCCMNQESA-N 427.618 4.885 30 10 IJEE CCc1cnc(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@@H](C)CC#N)s1 1513712371 FOLUQXDWBGGBMD-INIZCTEOSA-N 431.569 4.607 30 10 IJEE C#CC[C@]1(C(=O)Nc2sc(-c3ccccc3)nc2C)CCCN1C(=O)OC(C)(C)C 1519857963 AOWYNWDRWVNCPU-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)n(C)c1C)c1ccc2c(c1)OCCO2 1522213329 XXRUQGPIAOVLJI-UHFFFAOYSA-N 432.520 4.825 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n(-c2ccc(C#N)cc2)n1 1525661843 BFVAOCHQQFWRHW-UHFFFAOYSA-N 427.508 4.642 30 10 IJEE C=CCc1cc(C(=O)NCCc2ccc(Br)cc2Cl)cc(OC)c1OC 1527048222 DXJWJTASSNBGQG-UHFFFAOYSA-N 438.749 4.821 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1530086664 PCBOWDLLATUWRH-HZPDHXFCSA-N 437.590 4.557 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1 1533576588 MMVWUBRYNHUVKK-LJQANCHMSA-N 427.548 4.868 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1csc(I)c1Br 1534158974 ODMBMMNNOJQRBZ-UHFFFAOYSA-N 442.160 4.837 30 10 IJEE C=CC1(CC(=O)Nc2c(C(=O)OCC)nc3c(Br)cccn23)CCCCC1 1535244728 TWCHOQHGECYLMD-UHFFFAOYSA-N 434.334 4.739 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 1535432793 CDASIQQYSPZJDR-UHFFFAOYSA-N 437.378 4.674 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1)c1ccc(Cl)cc1F 1535504929 OUBOWBDPDCDGDR-XFQAVAEZSA-N 426.919 4.836 30 10 IJEE C#CCN(C(=O)c1c(F)cccc1I)[C@H]1CCCc2ccccc21 1538599664 LFFHDGBMRFQWSS-SFHVURJKSA-N 433.264 4.583 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)C 1539347130 OKMSIHPMXHPFTF-YKSBVNFPSA-N 431.584 4.712 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1539602867 BLBJMCBQPLDQLU-ZDUSSCGKSA-N 435.313 4.618 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1539982746 QIGOVMSILSSKSE-VQTJNVASSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1csc(Br)c1 1539998196 CETZZOGHVXREAE-OAHLLOKOSA-N 425.396 4.946 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCc1nccc(C(F)(F)F)n1 1540143348 WHTLZXPZPLAEKA-UHFFFAOYSA-N 448.518 4.851 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1Cc1nnc(C)s1 1540147883 PATJRDGOJNXGPZ-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCc1ccc(F)c(F)c1 1540185046 KNGBZXRTSIPIMW-UHFFFAOYSA-N 437.494 4.633 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2c(C)noc2C)C1 1540885827 PUBBOZYTQBKVQD-OAQYLSRUSA-N 435.572 4.677 30 10 IJEE C[C@H]1CCCN(CCn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)C1 1541107262 ICTGFOFYHZFKSZ-OALUTQOASA-N 440.661 4.603 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 1542901821 KOPNPNIPJGVPML-QGZVFWFLSA-N 427.570 4.981 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)CCS1 1544753835 AWYQKSLLBGYUJO-SJLPKXTDSA-N 431.556 4.974 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)CCS1 1544753837 AWYQKSLLBGYUJO-WMZOPIPTSA-N 431.556 4.974 30 10 IJEE C=CCOc1ccc(CNC(=O)CSc2nccn2-c2cccc(Cl)c2C)cc1 1556538093 NAXMTWXMRCYBFS-UHFFFAOYSA-N 427.957 4.807 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(CN2CCC(C)CC2)c1)c1ccc(Cl)cc1F 1563407570 NPZHEJPJDLHTTG-QHCPKHFHSA-N 427.951 4.885 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1564035567 DHHXMVOTDLRJHF-WOJBJXKFSA-N 445.922 4.719 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(c2ccccc2Br)CC1 1564140193 BRJSNOYXKUVLBE-NQIIRXRSSA-N 438.369 4.962 30 10 IJEE Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@@H]1C(=O)O[C@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]21 1565537975 FLCVPFHJPVPDPQ-TUZISWTASA-N 448.607 4.970 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(Br)c1O 1570278677 BSQIZLNUDZLNND-AWEZNQCLSA-N 439.147 4.834 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)c1ccccc1 1583544155 TZKAULNXNSYHJT-NRFANRHFSA-N 432.973 4.562 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CN(C(=O)OC(C)(C)C)C(C)C 1584641704 JIUMPBUVSOGNFQ-UHFFFAOYSA-N 427.339 4.598 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccncc1Cl 1587598944 JHCDVUBEQKOTRP-GOSISDBHSA-N 437.975 4.925 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(c2ccccn2)CCC1 1587939809 GAYDKMHSYUXXQH-UHFFFAOYSA-N 426.351 4.838 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@@H](C)C1 1588198548 YDDSFAUAILMHIC-DLBZAZTESA-N 431.367 4.530 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CC(C)(C)C1 1588574888 VMNBDGPLLCPTAZ-KRWDZBQOSA-N 430.980 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN(C(C)C)C1 1589669389 SNJOIURODRRKHV-IBGZPJMESA-N 431.575 4.670 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1593695351 DIHBZYKIRLSDNE-BJLQDIEVSA-N 448.995 4.668 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCOC(F)(F)F)CC1 1594193539 QZYRLMOXEMMLQY-OAHLLOKOSA-N 442.457 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1594483877 GOKPGQVGMKFIQB-UHFFFAOYSA-N 432.616 4.976 30 10 IJEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(COC(C)(C)C)c1 1594980226 CJNIMJQVNDVVHW-UHFFFAOYSA-N 444.583 4.502 30 10 IJEE C#CCN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)[C@H]1CCCc2ccccc21 1611223956 VMRGEZWGLNDWBJ-IBGZPJMESA-N 425.410 4.908 30 10 IJEE C#C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 1612454313 PKCLBINUPLCXLA-IBGZPJMESA-N 447.944 4.599 30 10 IJEE C=CCn1c(S[C@H]([C@@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1613104932 VGQZLONPHTUKKU-XHBSWPGZSA-N 444.544 4.828 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1OC 1618111025 LPSGBLJVISLSTP-JYAZYPBOSA-N 437.536 4.781 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Cl)c1 1621044154 CTZWSNDWBAROAK-HSZRJFAPSA-N 428.363 4.993 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1 1627435174 ITIKHRYKBVKMIC-IPBJYNAHSA-N 430.529 4.623 30 10 IJEE C=CCC[C@@H](CO)NC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1632027861 INVXSQJGMJINEQ-CJNGLKHVSA-N 438.391 4.568 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3oc4ccc(OC)cc4c3C)n[nH]2)c1C 1632991477 UVJJPBFEYJPZFX-OAHLLOKOSA-N 433.512 4.630 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 1633751131 KFGACFIXRBBVOX-UHFFFAOYSA-N 435.907 4.870 30 10 IJEE C#CCN(C(=O)c1cccc(N[C@H](C)C(C)C)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1634817700 HGIORLTWLKANEP-HXUWFJFHSA-N 441.616 4.926 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccccc3NCCc3ccccc3)C2)c(F)c1 1638308051 DRADXRLGZGESGY-NRFANRHFSA-N 428.511 4.817 30 10 IJEE C#CCN(C(=O)NCc1cscc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1638466680 VXOPZMUERLYFMD-MRXNPFEDSA-N 439.762 4.833 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC(C)(C)C)C2CC2)nc2sc3c(c2c1=O)CCCC3 1640696914 WOISBWMYMGQLTO-QGZVFWFLSA-N 432.611 4.735 30 10 IJEE C=CCn1c(SCC2(C(=O)OC)CCCC2)nnc1-c1ccc(Br)cc1 1640709884 WXGDKRVQCFFHLT-UHFFFAOYSA-N 436.375 4.719 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(Cc2ccccc2F)C(C)C)cc1 1641628078 BHSFEPIJSRGPKT-UHFFFAOYSA-N 448.542 4.963 30 10 IJEE Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CCC(Oc4cccc(C#N)c4)CC3)n2)cc1 1641731071 FGJOWCUWAKMFMF-SFHVURJKSA-N 446.576 4.861 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)C(=O)OC 1643443287 IZLIAHBSXCFHDR-GOSISDBHSA-N 440.590 4.844 30 10 IJEE C=CCn1c(O)nnc1S[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 1643787815 ZPNXPJGZCBYFHE-INIZCTEOSA-N 435.336 4.949 30 10 IJEE CCN(CCc1cccs1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1644422786 DZMNOLYZUAFJLP-UHFFFAOYSA-N 438.572 4.729 30 10 IJEE CC(C)CC(=O)N1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 1650370850 FBVWRQDQSDBJPT-UHFFFAOYSA-N 439.943 4.725 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](c2nccn2C)C(F)(F)F)cc1OCC 1651709270 IJTKMIREYVUWDV-INIZCTEOSA-N 448.283 4.539 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1CCC)CC[C@@H](C(C)(C)C)C3)C(=O)OC 1652380979 AHASGJMOJJMFOU-UKRRQHHQSA-N 434.627 4.839 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(C(=O)OC)cs1 1652469096 BCPTZIYHOLKXTQ-UHFFFAOYSA-N 435.958 4.837 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCOC4(CCCC4)C3)c2C#N)C1 1652696280 CRWCEERCTNAHAY-KRWDZBQOSA-N 429.630 4.744 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1653457088 MCYWCMFURREITP-JOCHJYFZSA-N 444.556 4.782 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1653550778 QRCWDXXXBAOAQT-UHFFFAOYSA-N 449.395 4.950 30 10 IJEE C=CCN(Cc1sc(N2CCCC2)nc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1658867364 XRTCPLGOLPBNPS-GOSISDBHSA-N 434.005 4.559 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)cc(COC)c2)c1 1661348057 SFOREXGJFRQPCL-UHFFFAOYSA-N 425.937 4.863 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CCCC1 1665141770 SRFNZWBIPAADIT-MDPIYQRISA-N 445.629 4.800 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)[C@H]1CCCO1 1669350768 RUSKXZVYBGTRIM-PKOBYXMFSA-N 433.277 4.683 30 10 IJEE CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1670433339 CXRJNESRLQQBQY-OSFYOIPJSA-N 436.556 4.628 30 10 IJEE C=CCOCCNC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1674731026 UABNBCUNLGIUJS-UHFFFAOYSA-N 448.394 4.613 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(CCN(CC)CC)Cc1ccc(Cl)cc1 1675014986 TYZKTSZQZZGPPE-UHFFFAOYSA-N 431.939 4.867 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1)c1ccc(Cl)cc1F 1679563098 MGWFZJLJVWPUIP-DJJJIMSYSA-N 436.314 4.854 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(OC)cc1Br 1681130868 ZAAMNYCHDFGRRK-HNNXBMFYSA-N 428.330 4.788 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1683106640 KVQHAODFPOHEMK-HSZRJFAPSA-N 449.595 4.966 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccc(Br)cc1 1683681919 YTEZNSRQNVBZKI-MSOLQXFVSA-N 431.305 4.864 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br)C1CCOCC1 1684034848 FMSDIYUQNAOHEJ-FGZHOGPDSA-N 441.369 4.608 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN1CCC 1690092686 RJLPBSWAUXMZKS-DEOSSOPVSA-N 437.607 4.664 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1690219562 HGIUCHXTMXJUAK-PVAVHDDUSA-N 449.393 4.960 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C)[C@H]1C 1690223160 HAHXAJTYJPRVRC-VXGBXAGGSA-N 445.789 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1690262950 UKJLYQUHHUOOQL-URXFXBBRSA-N 448.615 4.984 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccoc1 1690337199 HDCBQFOPQPNENX-UHFFFAOYSA-N 437.725 4.698 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)OC1CCCC1 1690337369 MRQNJSSJNLBSSF-UHFFFAOYSA-N 441.757 4.779 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1690464672 IIERWIGIDVSNBJ-UHFFFAOYSA-N 434.632 4.807 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1690467983 OJNNQROUZLDKGO-CALCHBBNSA-N 449.393 4.590 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccco1 1690483641 UAHXNNGARNTBCO-UHFFFAOYSA-N 429.565 4.588 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc(C)c(C)s1)C1CC1 1690546559 BCLZJWIDXLQNTH-UHFFFAOYSA-N 428.005 4.993 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690565404 IYORYXYNZYUWCO-YTFSRNRJSA-N 438.616 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1Cc1nccc(C(F)F)n1 1690577783 MSVQFGGZHULDKT-UHFFFAOYSA-N 430.528 4.966 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)OC 1690605752 VZDOFDHMQFFOMV-INIZCTEOSA-N 445.361 4.571 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](OCC(C)C)C1 1690682319 LLLRCIKSBJLKDV-QFIPXVFZSA-N 447.583 4.513 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](COCC)C1 1690736442 DVKGSKJVRXRTDM-GOSISDBHSA-N 426.586 4.863 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCOCC2)C1 1696537711 HWWMBFJTFQLGDH-RTWAWAEBSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSc1ccc(C)cc1 1705506345 VXTJYEYRKIWQKS-CEWLAPEOSA-N 426.630 4.755 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCCOC2)C1 1705510032 MZZSUNMCMSCUSD-ATIYNZHBSA-N 436.600 4.845 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@]2(CCCOC2)C1 1705510038 MZZSUNMCMSCUSD-NVQXNPDNSA-N 436.600 4.845 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCO[C@H]1CCCC[C@@H]1C 1705573865 PAMBQTBHJQPZSL-XWGVYQGASA-N 448.611 4.703 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(Sc2ccccc2)CC1 1705709773 DBYFVDGSQVXONP-UHFFFAOYSA-N 448.596 4.653 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC1(COC)CCC1 1705712005 WLZNWXVSCVBXJN-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)CC(C)(C)C1 1705731519 ZVRZNOQYCMPYTA-IBGZPJMESA-N 434.588 4.800 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1 1705823394 KFOTYTOYCYKNAB-UHFFFAOYSA-N 432.037 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)O 1705865330 JNJMNEHHLSNQRM-UHFFFAOYSA-N 432.977 4.632 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC=CO1 1705871414 JEUDRADUZDHWEZ-SFHVURJKSA-N 429.362 4.887 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1Cc1ccncc1Cl 1705880960 WFFLNJCLBDKEDG-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC2(CCCCC2)C1 1705887358 AFGCIZTYSAZAJE-UHFFFAOYSA-N 431.378 4.742 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1705942218 KTAOUWAUGMZMJM-UHFFFAOYSA-N 443.520 4.877 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)[C@H](C)CC#N)C1 1707960777 GVRRXRHPLKMJNJ-VAMGGRTRSA-N 440.611 4.503 30 10 IJEE C[C@@H]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 1708013728 BBRRZAFUCRSLKX-NZSAHSFTSA-N 447.505 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCCS1 1722276547 JENGCIGGKDALHH-BBTUJRGHSA-N 428.602 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cc(C(C)(C)C)no1 1722276735 JSQVHDCXSOHDML-PKOBYXMFSA-N 435.572 4.827 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccnc(OC2CCCCC2)c1 1722399031 MYYPXXQHMLXHEM-UHFFFAOYSA-N 445.611 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1CC(F)(F)Br 1722516013 SRAXBVFLNDOHJA-UHFFFAOYSA-N 427.337 4.844 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H](C)N2CCCCC2)CC1 1722560646 HECYWFBEYHTCSG-LJQANCHMSA-N 445.558 4.967 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)c2c(C)noc2C)CC1 1722569363 XQPYCWIPLDOWDF-SFHVURJKSA-N 435.572 4.637 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1722579053 HNYYBVHGGYHHBC-RDPSFJRHSA-N 449.599 4.726 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N(C)Cc1ccccc1N1CCOCC1 1722581156 BAEDTJQNZLENIF-HXUWFJFHSA-N 425.621 4.867 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722611285 IOPKLSRIHTUROD-HNNXBMFYSA-N 427.902 4.638 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H]1CSC 1722622262 KQYRXALMXFIWNH-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722644955 VPSHJMOAZRNOKU-DVECYGJZSA-N 443.661 4.712 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@H](F)C1 1722673904 JCCVFVIHKLYSEB-QZTJIDSGSA-N 429.565 4.600 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C)o1 1722708017 GSVNDROABAUTOF-UHFFFAOYSA-N 449.580 4.785 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC[C@H](C)C2)C1 1727303025 DIGWVXSGHINOMI-FNZWTVRRSA-N 434.632 4.954 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1727712627 FKYSAHQWOSTUED-RTBURBONSA-N 436.585 4.648 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nc(C(C)C)cs1 1740735323 MQSDPWJZHDSXAC-WSCWJOSJSA-N 441.645 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](CCC)C1 1740758726 BHJZOODIORRYEK-LSWJPFSZSA-N 445.007 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1ccc(F)cc1 1740768809 OFGQGLCXOFIUCU-NTKDMRAZSA-N 430.568 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740776272 OEDKDEKGOIWYQN-UHFFFAOYSA-N 444.933 4.867 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1740788515 VLRWAIJAYCDKNY-RTWAWAEBSA-N 445.007 4.975 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1cccc(C)c1 1740871185 SYNFWIRZNYOWRE-UHFFFAOYSA-N 444.377 4.826 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC1(N2CCCC2)CCOCC1 1740922446 HNTSGKBPTURNSS-HXUWFJFHSA-N 443.661 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cnn(C)c1C 1740924991 IETWQGGPRMJAPC-UHFFFAOYSA-N 441.583 4.621 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(N(CC)CC)nc2)cc1 1744317577 IBIIWSNTCPTQHG-LJQANCHMSA-N 431.588 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(OC2CCCC2)c1 1748659533 JGUJIEKAUALZSA-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1748830038 NQSIWRDMVSLWKI-OKZBNKHCSA-N 448.464 4.924 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@](C)(CC)O1 1748917607 FVYWBJODDDKMSM-RLWLMLJZSA-N 448.567 4.924 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1 1748944707 BUWOFAHRQVIVGP-OAQYLSRUSA-N 439.623 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCCOCc1ccccc1 1749064571 BRDNBAAGLLYHJX-AREMUKBSSA-N 429.568 4.638 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(CC(C)C)C1CCCC1 1749107070 ONQRWLYCXFGDRX-UHFFFAOYSA-N 438.439 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCCc1ccccc1 1749128019 QQRGIKQWGCAZAL-UPVQGACJSA-N 431.584 4.699 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1749213530 MJRIBMBUQUNTLA-FDDCHVKYSA-N 443.979 4.794 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1Cc1cccc(N2CCOCC2)c1 1749383707 FAJOQKAPNZWXEH-UHFFFAOYSA-N 425.621 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1749576368 KCECIGJAVWGPHG-QPPBQGQZSA-N 438.616 4.897 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1[C@@H]1C[C@H]1CF 1749592628 RYLQEPNSPBBXDC-BLLLJJGKSA-N 443.748 4.530 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC1(OC)CCC(C)CC1 1749592780 YANNEGTVAJRRKZ-UHFFFAOYSA-N 438.572 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)CC=C)C1 1749696322 SHXXYOIQUVMJCU-HXUWFJFHSA-N 432.572 4.719 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1760132861 UTSXWDSPVLXHTB-KRWDZBQOSA-N 446.477 4.707 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C1CC(C(C)(C)C)C1 1760193975 ALNLQKIUSVBVJF-QNGMFEMESA-N 434.584 4.887 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](CCC)C1 1760276305 ZCXJYTMHBFUZAC-HKUYNNGSSA-N 444.670 4.503 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](CCC)C1 1760276308 ZCXJYTMHBFUZAC-PKOBYXMFSA-N 444.670 4.503 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760281776 WQGGPYAPYQEOEW-FQEVSTJZSA-N 440.588 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCNc1ncc(Cl)cc1Cl 1760293915 ICTDXCZOCNCTOS-OAQYLSRUSA-N 433.387 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccs1 1760317443 GDFSBAOXYVPRKB-APWZRJJASA-N 429.977 4.673 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCSC2)C1 1760370467 UAKLORMJUITUIG-SFHVURJKSA-N 439.810 4.794 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCOC(F)F)CC1 1760398407 XGUWASNJWVPDEX-UHFFFAOYSA-N 428.430 4.578 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1760435045 VTKFGDBQRICVEB-OAQYLSRUSA-N 436.991 4.670 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1760466770 HVSAVBGAPKGYBI-ULQDDVLXSA-N 431.378 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(Cl)cc1 1760496342 RAUQSLPEFFXXQB-UHFFFAOYSA-N 432.959 4.591 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCCCCC1 1760561314 WXXAPDQZXRCORJ-UHFFFAOYSA-N 446.617 4.661 30 10 IJEE Cc1ccsc1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C#N)CC1 1761632007 ACYMYZAROOVFEG-UHFFFAOYSA-N 442.386 4.866 30 10 IJEE CO[C@](C)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1767988160 HDDBOPOQWQAFAS-WOJBJXKFSA-N 438.334 4.509 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1cccc(C(=O)O)c1 1772736616 NFFVKYXJUNBDSM-BNCGLULESA-N 443.322 4.937 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nnc(C)s1 1772740155 YXPWCCUMGGSLEV-RHCVXJPWSA-N 441.494 4.639 30 10 IJEE COc1ccc(C=NN=C2S/C(=C/c3ccccc3O)C(=O)N2Cc2ccco2)cc1 1772757127 AFBZLDUCXXIVJW-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE COc1cc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)c(OC)cc1Cl 1858865292 BGFYFUUWQGCLNH-UHFFFAOYSA-N 438.871 4.847 30 10 IJEE O=C(/C=C/c1ccc2c(c1)OCCO2)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860730526 CEMNQIMAPNPRJP-HNQUOIGGSA-N 445.315 4.716 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)/C=C/c1ccc(OCC)cc1 1861584544 YYIGUKMPXZZHFY-FOYQMUPJSA-N 434.646 4.813 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCn1ccnc1 1862442047 FUIIPOVAFPWCIZ-NRFANRHFSA-N 435.911 4.514 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCN(C)C)c1 1862444032 WIWYTRLHNYHELO-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CC2)cc1 1862524970 RIHKGRQOTXGIQZ-IBGZPJMESA-N 426.310 4.752 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1OC 1862551368 UDWROGHPDRMSJE-QHCPKHFHSA-N 435.520 4.569 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(F)c2)cc1 1862590990 SHNXUWHGRZANEK-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862591345 HJUGFZQBWUBUBU-XMMPIXPASA-N 443.499 4.530 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 1862611474 MHTSQYBKSHAART-IBGZPJMESA-N 446.286 4.505 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862687492 LTAGKOJUDZEGGD-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C)cc3C)C2=O)cc1 1862832943 OTFZRIARSYAHRB-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(Cl)c2)=C(c2ccc(F)cc2)C1=O 1863151106 CANJWTMCTFACES-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)c2ccc(OC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633231 NQZPVOFAJDRUJZ-CYBMUJFWSA-N 431.319 4.619 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)CCCOc1ccccc1 1870144768 LKDZLBYPRIBQSO-UHFFFAOYSA-N 449.820 4.609 30 10 IJEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)CCCOc1ccccc1 1870145004 QQYONBZFXCOPOU-UHFFFAOYSA-N 437.503 4.527 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)ccc3C2=O)cc1 1871365080 NCJWSWULNUJUDR-CFRMEGHHSA-N 443.455 4.879 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 1871366914 PMMLQEOYJZYOLT-KKUMRTDFSA-N 432.428 4.840 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc(F)cc2)C3=O)c(OC)c1 1871386606 DLHPSDUUCJVKHF-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871430967 QSDLBYPZAHEJBU-KQWNVCNZSA-N 436.552 4.705 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)c1cccs1 1871899271 GKNMZSGCAHBIMF-QFIPXVFZSA-N 440.590 4.922 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872789295 DLCVIOROYVCFNE-LBPRGKRZSA-N 436.345 4.785 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2C)=C(c2cc(F)c(F)cc2F)C1=O 1873239735 WEKICTDOVRDBFB-UHFFFAOYSA-N 443.469 4.637 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(NCc3ccccc3C)ncnc21 1873619003 SPCHWNMDTQSGMR-UHFFFAOYSA-N 442.479 4.698 30 10 IJEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874396124 AJLHQCINHADJDC-WGOQTCKBSA-N 444.560 4.957 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1OC 1874506040 LEOGHBZGAJOVGV-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1Cc1ccco1 1875236885 FESZVGSABDFGGK-UHFFFAOYSA-N 434.540 4.689 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3cccc(Br)c3F)n[nH]2)c1C 1889739689 HUUNZXLVMIDMGA-UHFFFAOYSA-N 432.297 4.620 30 10 IJEE N#Cc1csc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951523545 GUMOMKBLNXNREQ-JOCHJYFZSA-N 432.501 4.544 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2c2ccc(Cl)c(Cl)c2)o1 2033813169 JOXATWKJYSUKDX-AWEZNQCLSA-N 436.276 4.529 30 10 IJEE COCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)C1 2035394980 KRBWYBSCCQWTPJ-UHFFFAOYSA-N 445.560 4.703 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)c(O)c1 2079046875 FUOADUNWWFSTRE-HNNXBMFYSA-N 443.235 4.701 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2110497795 KTCHGCCRBLJWQE-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNc2cc(Br)cc(F)c2C#N)C1 2111958222 TXLDBVZUXADTIG-MXXVBZNESA-N 430.293 4.515 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(NC(=O)OC(C)(C)C)CCC(C)(C)CC1 2137680955 JOIAZJWEWVOVIE-UHFFFAOYSA-N 429.399 4.773 30 10 IJEE C[C@@H]1C[C@@H](C)N(c2cc(Br)cc(F)c2C#N)C[C@H]1CNC(=O)OC(C)(C)C 2174768621 UZMBIBNQDBXOND-MGPQQGTHSA-N 440.357 4.835 30 10 IJEE Cc1cc(C(=O)[C@@H](C#N)c2cccc(Br)c2)ccc1I 2207027775 PTNNXRZXWXARKQ-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2224253038 KIZRPXJXTDYIFB-WMLDXEAASA-N 429.403 4.737 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1(C)CC1 2235720486 HKXVUBWHTUVEFR-MOPGFXCFSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CC1(C)CN(C(=O)OC(C)(C)C)C1 2235724148 FZFBRDDOJUBOJD-GOSISDBHSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Nc1cc(Br)c(C#N)cc1F)C2 2241100914 XMGNOVJBKDBNGW-WGGXSYPISA-N 438.341 4.954 30 10 IJEE COCCCN(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2269896250 VTWQFDMWGHROMV-UHFFFAOYSA-N 432.373 4.577 30 10 IJEE CCOc1c(Cl)cc(C=C2SC(=Nc3ccccc3)N(CCOC)C2=O)cc1OC 2294025377 NZFWLCQSEKSREC-UHFFFAOYSA-N 446.956 4.998 30 10 IJEE CC(C)n1ncc([C@@H](O)C#Cc2cccc(Br)c2)c1NC(=O)OC(C)(C)C 2296228204 WOWATJVWCOIRJF-KRWDZBQOSA-N 434.334 4.659 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(C[C@H](N)C#Cc1ccc(Br)cc1)C(F)(F)F 2296301704 YDRDDRLHNGQKJI-QAPCUYQASA-N 449.311 4.611 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)SC1=S 2297178708 HCLQSAZWEHQDFJ-UHFFFAOYSA-N 425.531 4.610 30 10 IJEE CC(C)(C)N=C1[C@@H](N2CCOCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 2297382621 QFZAVOMZERERTG-MRXNPFEDSA-N 427.536 4.777 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C12CCC2 2306530440 XDYOCJMXXMZRSA-CPJSRVTESA-N 428.573 4.603 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1OC 2322341271 RCJKQLKGZDYFHV-IBGZPJMESA-N 445.515 4.856 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)NC3CCCCC3)c2)cc1 2323130907 ASRFGFWRMCKIPH-UHFFFAOYSA-N 437.536 4.818 30 10 IJEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)C(=Cc1cccnc1)O2 2323231527 KCMODHVKQKQNSZ-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1OC(=Cc1ccco1)C2=O 2323302486 MCZPVJZBFYRYDZ-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE CCCCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2F)c(OCC)c1 2323499471 NSQSADFLDALMSP-UHFFFAOYSA-N 428.533 4.908 30 10 IJEE CCCCN(CCO)Cc1c(O)cc(C)c2c1OC(=Cc1cn(CC)c3ccccc13)C2=O 2324181865 GPRZCOKVUQMAGD-UHFFFAOYSA-N 448.563 4.886 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1OC 2324398460 NVBDBMRTPJCPNU-INIZCTEOSA-N 445.471 4.726 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 2324574660 KPAGNYMYWKVSFU-IBGZPJMESA-N 432.501 4.803 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)c(OC)c1 2324946379 WVIRIGZSNRCLMN-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1cccc(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)c1OC 2325474484 HJFSYCSRCALMTJ-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(O)c(O)c1 2326524793 QAWSNVSGGIDQPU-UHFFFAOYSA-N 444.944 4.781 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccc[nH]2)cc1OC 2326719861 YHULSKSOKKYTQD-UHFFFAOYSA-N 447.564 4.697 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(O)cc1 2326878891 MSAXSSZDEQTHAS-UHFFFAOYSA-N 442.541 4.659 30 10 IJEE CCCOc1cccc(C=Nn2c(SCCC)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 2327888400 HYBYJDZNSSZWIE-GOSISDBHSA-N 443.617 4.566 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccnc1 2328446368 GANWGEHTBUZVCK-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(C(=O)O)cc1 2328556596 SBOVCUDUTAQDMG-UHFFFAOYSA-N 436.537 4.723 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccco2)n1N=Cc1c(F)cccc1Cl 2331225239 ZNMMINSAGXEDOH-UHFFFAOYSA-N 436.896 4.504 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331470169 OYXLNTTUZAQJIF-UHFFFAOYSA-N 443.400 4.957 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2331529276 URSVXGSTBDCHIU-UHFFFAOYSA-N 434.423 4.915 30 10 IJEE C=CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(I)ccc1Br 2337093701 HTODPPGWCVHGEF-YGRLFVJLSA-N 434.115 4.528 30 10 IJEE CCN[C@H](C#C[C@H]1CC1(C)C)c1cc(I)ccc1Br 2339567804 MUVUTCRDVKWTEF-XHDPSFHLSA-N 432.143 4.754 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@@H](O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360194799 SAAHDPPRGVRYTC-HAGHYFMRSA-N 434.374 4.587 30 10 IJEE CC(=NO)c1ccccc1OCc1ccc(I)c(Br)c1 2377288697 ZXHUVUAAQPUKGK-UHFFFAOYSA-N 446.082 4.831 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cccc(OC)c2OC)C3=O)c1 2101558 ZBOOEXKMAPREIV-LPYMAVHISA-N 432.428 4.548 30 10 IJEE CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(OCC)c(OCC)c2)c(C#N)c1C 33280566 PQMLPMGZIAZOAL-LUAWRHEFSA-N 428.510 4.554 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 35443478 FMGKBGRYBGLTET-RBNQUJQMSA-N 432.564 4.524 30 10 IJEE C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1 36316061 BIDCQNMQIKYHDG-HSZRJFAPSA-N 449.595 4.963 30 10 IJEE C=C(C)COc1ccccc1NCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 66062936 WUSVWFMRXDHFDX-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE O=C(Nc1cc(F)cc(F)c1)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96309843 ZGNZBCJOLZOSGE-HSZRJFAPSA-N 440.498 4.605 30 10 IJEE biogenic COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1Cl 102484111 NBPAWCJTGYKUEV-AGGMBTAESA-N 434.879 4.678 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1ccncc1 170021427 YYOWYFHCYKPPHV-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c[nH]c3ccccc23)cc1 170073325 YQLFNMAGJZRBIK-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE CCCOc1ccc(C2=C(N3C[C@@H](C)C[C@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170091126 INOHIJQYCXTHIF-OALUTQOASA-N 443.547 4.609 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)c1 170134282 SBNMOYPNMQZOPI-HSZRJFAPSA-N 447.487 4.799 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)c1 170141197 XEXITQGUYVSHBS-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(C)c2)c1 170145280 HZFJEECQBOLNTQ-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 170166956 DHSKFFOOAIBURO-IBGZPJMESA-N 438.436 4.574 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(OCC)cc1 170214488 BECKVQGEFIOQMT-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccccc1 170227564 FOFUKRJFTLGYNJ-XMMPIXPASA-N 441.483 4.803 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 170247760 NLQJWTGPDXCFEL-QFIPXVFZSA-N 449.409 4.519 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1cccc(F)c1 170270835 UIPRCGKPSHDIKL-NRFANRHFSA-N 432.407 4.825 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccccc1C 170273111 RQFLJFCYELCRNR-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273689 IGKUVIRMMLUYCY-REWPJTCUSA-N 435.520 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)c(OC)c1 170303763 FCGSORNWEIVJSW-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)c1 170330489 XAWZNTQBRPEZMK-IBGZPJMESA-N 427.815 4.864 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(OC)cc2)ccc1OC 170439922 VXPMVOULJMCCSR-HSZRJFAPSA-N 439.508 4.618 30 10 IJEE COc1ccc(-c2csc(NN=C(C)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OC 254703397 UEVJNWCARVPXBH-UHFFFAOYSA-N 428.470 4.580 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c(OC)c1 440733745 KUGJGJCJXILSEV-IBGZPJMESA-N 425.916 4.696 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 460946196 NNRUWIHGGGSXPS-IFMALSPDSA-N 431.588 4.707 30 10 IJEE COc1cccc2c1CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2 488379199 LGKHHLAQIWVBTD-UHFFFAOYSA-N 441.531 4.973 30 10 IJEE N#C[C@@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 516465671 YBBGTSOCHHXKMM-HNNXBMFYSA-N 449.923 4.605 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 521185246 ILNFCXPACNAFQL-UHFFFAOYSA-N 442.279 4.704 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccc(C)o1 526491807 RKHMGKVUKJYLDU-QFIPXVFZSA-N 430.460 4.924 30 10 IJEE CCOc1cccc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c1OC 526820270 YRRZCULAVSLVTK-JJFYIABZSA-N 447.358 4.622 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 549654847 FHVQPKCZKNCDAC-UHFFFAOYSA-N 438.535 4.922 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 549669470 IOIMKALLBJAEBA-GOSISDBHSA-N 433.478 4.720 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 555240337 LBXJENPQVJCSOR-IRXDYDNUSA-N 431.378 4.537 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 555264331 PWKNAPRMWALQEP-ACRUOGEOSA-N 440.588 4.646 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 555272667 MAFNPBBSUSYAJW-IPMKNSEASA-N 430.980 4.901 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(N(C)c2ccccc2)CC1 559004738 ZQSUIXUKDWMCFM-DEOSSOPVSA-N 429.568 4.636 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)c1 586003134 ZBSYSGKGYKDENL-FQEVSTJZSA-N 441.522 4.837 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2)c1 609426971 DCGYBLOECUJNAH-QHCPKHFHSA-N 427.460 4.720 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 669730864 WCKDJBCTZDAKSK-LJQANCHMSA-N 429.520 4.595 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc(F)c1Br 698379037 RACFZMYKBGNWHP-MRXNPFEDSA-N 428.346 4.732 30 10 IJEE CC(C)Oc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2)cc1 762440781 OVIDFWWVTSZUFI-UHFFFAOYSA-O 432.525 4.662 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1=S 765079624 OPILJWBYCXZHTJ-INIZCTEOSA-N 434.631 4.730 30 10 IJEE C=CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1Cl 779746386 ZNZMPLKLSJGWOW-LJQANCHMSA-N 443.956 4.503 30 10 IJEE C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1C 799210858 DLIIIESGLPVEBN-SFHVURJKSA-N 445.466 4.607 30 10 IJEE C#CCN(C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCCC1 810156181 VDIIKMXBUUHMCF-ROUUACIJSA-N 441.572 4.517 30 10 IJEE C#CCO[C@H](C)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)c(C)oc2c1C 1125003689 KENFLWSAEKELIF-OAHLLOKOSA-N 426.852 4.799 30 10 IJEE CCCOC(=O)c1cc(Br)ccc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 1125509605 AWRHDZZQKSSCIH-CQSZACIVSA-N 429.314 4.705 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)c1 1125713510 OFPSUHKGNOUWRA-NRFANRHFSA-N 428.557 4.878 30 10 IJEE C#Cc1cncc(C(=O)Nc2nc3c(Br)cc(OC(F)(F)F)cc3s2)c1 1127416141 AONINOQOGJUAGU-UHFFFAOYSA-N 442.216 4.586 30 10 IJEE Cc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)cc1 1129474032 HRSVMEAZKKYLMX-GJZGRUSLSA-N 437.594 4.926 30 10 IJEE C=CCCSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 1130678929 QHVPGANTHXBESC-MRXNPFEDSA-N 432.508 4.697 30 10 IJEE C=CCc1cc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1132175825 JJHPPYKSVUQYKE-LJQANCHMSA-N 437.367 4.772 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2c(c1)nc(O)n2C1CC1 1136557355 AEENKPRGANKXGC-UHFFFAOYSA-N 444.304 4.807 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCCC[C@@H]3c3ccc(CC)o3)ccc2c1=O 1136864636 XZMZRLLNHFARIR-HXUWFJFHSA-N 437.565 4.784 30 10 IJEE N#Cc1cc(Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)ccn1 1162042705 FAWSTFFRPRSLDY-UHFFFAOYSA-N 435.310 4.510 30 10 IJEE C=CCn1c(SCc2nc(Cc3ccccc3C)no2)nc2sc(C)c(C)c2c1=O 1164583915 KVVGYFQPQNSSJC-UHFFFAOYSA-N 438.578 4.835 30 10 IJEE COc1ccccc1CN(CCCOc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1 1167789196 KIFIAYNZPJDQAF-UHFFFAOYSA-N 428.492 4.624 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCCC[C@H]1/C=C/c1ccccc1 1168144752 GZPKEXWJBMLRLI-TVXVBNPNSA-N 425.536 4.640 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C 1169524641 FGBJECZUTJAOPY-UTKZUKDTSA-N 432.486 4.911 30 10 IJEE CC#CCCCC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1181918227 HLUIHPQMIKHULX-HXUWFJFHSA-N 426.557 4.590 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 1182497972 GXYHTOTUDSGVBD-ZDUSSCGKSA-N 437.828 4.993 30 10 IJEE C[C@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)c1c(Cl)cccc1Cl 1186292787 DGQNMHJHCJPRQH-SNVBAGLBSA-N 448.169 4.710 30 10 IJEE CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@H]3CCCc4cc(C#N)ccc43)c2c1C 1186729762 HDEYQTBNXQKVSV-SFHVURJKSA-N 449.580 4.599 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(I)cc2OC)CCCC1 1205559554 FORTZLXGIPCROV-UHFFFAOYSA-N 428.314 4.948 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(Br)cc(Br)c1 1207922780 PKLPYXQRGQZJQG-UHFFFAOYSA-N 431.149 4.593 30 10 IJEE COc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1210637190 DWWBXTRQZKUBBP-KRWDZBQOSA-N 426.460 4.651 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2c(C)nn(-c3ccccn3)c2C)c1 1264919135 JOBZUKSXRJHIOS-UHFFFAOYSA-N 426.545 4.703 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 1264942688 BTFYTRNSVYOFFC-NRFANRHFSA-N 428.919 4.908 30 10 IJEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2[C@@H]2C[C@H]2CCC)CC1 1286486163 BJQROYDGLIPQJU-FYYLOGMGSA-N 447.627 4.570 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccc(C)o1 1286547730 QHQRIDGITIRQSZ-UHFFFAOYSA-N 445.361 4.866 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1cccs1 1286592334 ZROJMASIYCIWMM-KRWDZBQOSA-N 448.596 4.900 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C2CCC1(C)CC2 1286602816 AOCAMTZJYWOCEP-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccco1 1286603458 SZIGBGZCDDMVAM-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(COC)CC1)c1ccccc1 1286680020 VHVIILQSPANFDJ-HSZRJFAPSA-N 431.584 4.871 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1286729208 NUUYVKHROAXVSX-SFTDATJTSA-N 439.648 4.853 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286746302 VFDOIWNDRHTKIS-VXKWHMMOSA-N 439.648 4.557 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1C 1286764968 IDGBLNLXBXXIHU-WMZOPIPTSA-N 433.394 4.783 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1c(C)coc1C 1286766906 ZXMNOFXHPRKKCX-UHFFFAOYSA-N 445.361 4.605 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1ccccc1 1288247718 MOLFTKWGNFFYFI-INIZCTEOSA-N 429.314 4.859 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)N(C)C)CC[C@H]1C 1291154511 ADZXQGRWGQMOLF-REHUZNOOSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCC(F)(F)C1 1300267787 KPHYLBSVOBRYER-OALUTQOASA-N 443.542 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1csc(C(C)C)n1 1300322033 PMRAWWUDROZDTN-IBGZPJMESA-N 437.613 4.754 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OCC(C)C)C1 1300394357 PDQBMFQHYYPSHR-QGZVFWFLSA-N 449.368 4.511 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc2[nH]c(C)cc2c1 1300441184 FYADLGJXJYJFNQ-UHFFFAOYSA-N 440.370 4.677 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C(C)C)CC1 1300741424 WPAIXFJOULKJCF-UHFFFAOYSA-N 447.446 4.946 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](SCC)C1 1300754746 HAVUJDVZZBVHRJ-GOSISDBHSA-N 439.654 4.905 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2ccc(CC)o2)nnc1[C@@]1(OC(C)C)CCOC1 1301234363 JFTFTWWMTZZUGY-HYBUGGRVSA-N 428.577 4.782 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccnc(SCC)c1 1301403023 RRPSEAHTNZNHQW-UHFFFAOYSA-N 425.602 4.959 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCc1cnccn1 1301601955 VLHKIGMLECNTMT-UHFFFAOYSA-N 449.411 4.640 30 10 IJEE Cc1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCCN(C)C(C)C)c2ccccc2n1 1304194921 FDBMNSLUMIRNAY-UHFFFAOYSA-N 445.615 4.662 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC[C@H](F)C2)cc1C 1304407966 CBTLIFHUKWVMCH-RTWAWAEBSA-N 425.552 4.742 30 10 IJEE C=C(C)[C@@H](NCc1csc(CN2C(=O)c3ccccc3C2=O)n1)c1ccc(F)c(F)c1 1307700086 YRSSBEIYHGAMQG-OAQYLSRUSA-N 439.487 4.625 30 10 IJEE COC(=O)c1cnc(C2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)s1 1310303016 DTHYNXJIRHMRSJ-CQSZACIVSA-N 444.582 4.735 30 10 IJEE C[C@H](NC(=O)N[C@@H](c1cccnc1)C(C)(C)CO)c1ccc(-c2cccc(C#N)c2)cc1 1312478510 HHPMSPGAUFTGNU-UUOWRZLLSA-N 428.536 4.740 30 10 IJEE C#CCN(C(=O)c1cc(C)c2ccccc2n1)[C@@H]1CCOc2ccc(Br)cc21 1353633695 GQDZBECJAQPWSH-OAQYLSRUSA-N 435.321 4.905 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nc(C)cs1 1358875617 SYCIOQVECAEAKH-OAHLLOKOSA-N 434.594 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1358995644 ZQZMWEIABKBXTK-FPOVZHCZSA-N 446.492 4.840 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(CC)CC1CCC1 1359050157 IGIMRGGEWCUJBU-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 1359124184 NPDPKXHJLIZNRW-AWEZNQCLSA-N 425.360 4.744 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC1(COC)CCC1 1359234934 HDARXVGEMUZJLK-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(OC)ccc2Br)n1CC=C 1359275873 JFNHPWUEWPOCCS-UHFFFAOYSA-N 443.345 4.730 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCCC3)nnc2N2CCCN(C(C)(C)C)CC2)cc1 1359307809 VSRHZTLETOSHNZ-UHFFFAOYSA-N 437.632 4.859 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](SCC)C1 1359344925 NHOLVPBCLNBUEE-SFHVURJKSA-N 437.704 4.665 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCC=C(C)C1 1359345274 ABWFLVKZGSPEHN-UHFFFAOYSA-N 449.418 4.695 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2C)cn1 1359673489 CYVXOHZHHGVPSC-XMSQKQJNSA-N 429.572 4.803 30 10 IJEE C#CC[C@@]1(C(=O)NCC2(c3cccs3)CCCCC2)CCCN1C(=O)OC(C)(C)C 1360630038 WFGNHORMIIPNKR-DEOSSOPVSA-N 430.614 4.859 30 10 IJEE C#C[C@H](NC(=O)c1cccnc1Oc1ccc(Br)cc1)c1ccc(F)cc1 1436643446 FVBKIHCELYCARS-IBGZPJMESA-N 425.257 4.880 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(F)c1 1441050819 RTFRRXAKNHNWKT-PKTZIBPZSA-N 438.543 4.900 30 10 IJEE C=CCOc1ccc(CC(=O)N(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)cc1 1443791157 VPTUGBWTRWAZGK-UHFFFAOYSA-N 449.938 4.510 30 10 IJEE C=CCc1cc(C(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)cc(OC)c1OC 1445475303 PHUHDMRHIZNENZ-UHFFFAOYSA-N 435.442 4.646 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(Cc3ccc(C#N)cc3OC(F)F)C2)C1 1460106923 BWIZSKUBPQIPEF-QZTJIDSGSA-N 435.515 4.629 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 1460536513 ZZKAQHBPIVBSHF-FQEVSTJZSA-N 448.636 4.921 30 10 IJEE C[C@@H](Oc1ccccc1NC(=O)COc1ccc(C#N)c(Br)c1)C(F)(F)F 1460684762 BGHXOONIAOIQIQ-LLVKDONJSA-N 443.219 4.668 30 10 IJEE C#CCC1(NC(=O)C/C(=C\c2cccc(OC)c2)c2nc3ccccc3s2)CCOCC1 1462838408 HKFNKUHTBNAZNR-CAPFRKAQSA-N 446.572 4.924 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCc2c(Cl)cc(Cl)cc21 1463833201 HETGAMNWXHDHHF-UHFFFAOYSA-N 446.153 4.769 30 10 IJEE CN(C(=O)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N)C1CCCCC1 1464347233 GKLNPYXTBSIUHS-UHFFFAOYSA-N 446.551 4.710 30 10 IJEE C=CCC1(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CCCC1 1467989959 BSGMEYTYJPDSSD-UHFFFAOYSA-N 442.581 4.752 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCCC(=O)N[C@@H](C)c2ccc(OCC)cc2)CCCC1(C)C 1469281047 HHYRPWSDBBKBEI-UGKGYDQZSA-N 429.605 4.819 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] 1471197910 OAXPYXRGNSRYSY-UHFFFAOYSA-N 434.290 4.577 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 1472780361 BINJTNSUHOFSAA-HXUWFJFHSA-N 432.955 4.868 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C)N2CCCC[C@H]2C)cc1OCC 1473933651 OKXGAHRDLOGSHJ-IAGOWNOFSA-N 425.411 4.765 30 10 IJEE Cc1ccc([C@@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)N2CCCC2)cc1 1475929315 BNULRUFRDJVYGG-HSZRJFAPSA-N 445.592 4.873 30 10 IJEE CCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1476028206 BGVGXMSNCDDLAB-UHFFFAOYSA-N 446.473 4.762 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 1477913335 QUIWUCCSIOIOIL-IZZNHLLZSA-N 441.575 4.719 30 10 IJEE C#C[C@@H](NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(Cl)cc1F 1478901262 RQCAKLWOTLJUPQ-AEFFLSMTSA-N 449.231 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](OC)C(C)(C)C 1507544165 SMCFNPGFIIQDJX-RXVVDRJESA-N 426.605 4.674 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(F)(F)CC1 1507563102 RHGOWMVTCDFUQM-UHFFFAOYSA-N 432.515 4.782 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)c1ccccc1 1507681335 WGLRVADQHZXYPL-LJQANCHMSA-N 433.625 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCCCCOC 1507764950 XENPCIXREZMZRD-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1c(C)noc1C 1507794018 GGYXDEUNJSSEHP-FYYLOGMGSA-N 435.572 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1 1507812344 WPJHNWXQMFDXFC-PWHSHALESA-N 442.579 4.850 30 10 IJEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1507871015 RDOIDXOLGDSWIZ-UHFFFAOYSA-N 439.007 4.759 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2nnc(C)s2)CC1 1507896150 ABQRQLKNTCICKC-UHFFFAOYSA-N 432.956 4.543 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](CC)OC)CC1 1507896720 JTFUIZNJHFOWNW-MRXNPFEDSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1ccco1 1507946717 UJSLUYMHTRPUDK-SFHVURJKSA-N 446.555 4.822 30 10 IJEE C=CCCCn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507954079 PBHXHGKWEYLFOO-GBESFXJTSA-N 431.625 4.887 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC1(OC)CCCCC1 1507999244 MGIQONSGVKTMND-QHCPKHFHSA-N 449.599 4.586 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CCCSC 1508001329 OPPAIXPQROSLQV-UHFFFAOYSA-N 446.418 4.981 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1 1508011923 XHMZBSALPSSMLG-UHFFFAOYSA-N 431.521 4.624 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCC(F)(F)C1 1508024201 KEAGNEKECUEOEL-FQEVSTJZSA-N 425.527 4.954 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1c(C)cccc1C 1508034526 WSHULRURTJFHIM-QFIPXVFZSA-N 434.584 4.860 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)C1 1509553306 ALGLSCGRNODONV-NTKDMRAZSA-N 441.023 4.849 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccc(C)cc1)c1ccc2c(c1)OCO2 1521284163 KOBJXRITQGABIE-UHFFFAOYSA-N 431.488 4.901 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 1521611287 CDUGXVDBULMWCC-UHFFFAOYSA-N 429.188 4.717 30 10 IJEE C#C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccc(Br)cc1 1525053573 CWFWOPHCWVUZIN-GOSISDBHSA-N 436.265 4.524 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1526452543 NRLBHMWVWSJJMI-HXUWFJFHSA-N 432.973 4.562 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2C#N)C1 1526913364 BWYVKDVUWYSWCJ-GOEBONIOSA-N 430.595 4.526 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCCN1C(=O)OC(C)(C)C 1527252285 RNLUKCWCHGSGHD-VGSWGCGISA-N 434.989 4.786 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O 1528000982 NVMIFOUICXCJLU-OAHLLOKOSA-N 429.314 4.544 30 10 IJEE C#C[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccc(Cl)cc1F 1528108829 OCNBAUPWJBWVGA-SFHVURJKSA-N 432.680 4.532 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)c1 1528919706 HLNAJDCCJUCHCV-UHFFFAOYSA-N 447.332 4.921 30 10 IJEE C=CCOCCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 1532369640 TYJAKOBBMDZLFK-UKHBAXEESA-N 427.429 4.818 30 10 IJEE C#CCOCCNC(=O)c1cc(/C=C\c2cccs2)nc2ccc(Br)cc12 1534761477 FFRNLPTZLGCPSH-SREVYHEPSA-N 441.350 4.609 30 10 IJEE N#Cc1cnc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c(Cl)c1 1536470139 GVKGKJVKXJDLFF-UHFFFAOYSA-N 433.718 4.669 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c(OC)c1 1537593002 NCOLDSSYINXDMI-UHFFFAOYSA-N 433.892 4.752 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2[C@@H](C)[C@H](C(=O)OCC)[C@@H](C)C[C@H]2C)s1 1537847661 DSOYKQCPEPZDJF-KSBHJAGGSA-N 445.050 4.663 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1537859463 DAECVKYCVGPYQI-NRFANRHFSA-N 441.453 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)c1ccsc1 1539305784 OWJQSYPGVSPTAU-AREMUKBSSA-N 446.620 4.675 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1539332470 RXIGTTAVNPNOLR-ILBGXUMGSA-N 444.604 4.561 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCCCC1 1539343465 KJQIOBOVNOCPID-JOCHJYFZSA-N 437.632 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](CC(C)C)C1 1539637965 VWGYZIPEZSGPNV-ZYKOEDHHSA-N 426.580 4.862 30 10 IJEE C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCC(C)(C)C)CC1 1539685987 BCVROQDSYOKVGS-UHFFFAOYSA-N 432.616 4.936 30 10 IJEE N#CCCn1ncc(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)c1-c1ccccc1 1540089052 GVLWVSNKLYVYFR-QHCPKHFHSA-N 435.531 4.615 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2 1540553947 LLQYKUUUVQFSDI-ITGJCUMNSA-N 430.614 4.770 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)cc1 1540595606 CVXNNWAARNORSM-UHFFFAOYSA-N 430.386 4.519 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1540853738 LXASWVNLXINULL-NRFANRHFSA-N 447.583 4.972 30 10 IJEE C=CCn1c(CC(C)C)nnc1N1C[C@@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1540858657 ROHXUPFKMITWSG-RCDICMHDSA-N 447.942 4.759 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)OC(C)(C)C1 1540913958 YRAJUILVPIVCPZ-KRWDZBQOSA-N 439.585 4.523 30 10 IJEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccs1 1541987855 GXIQITDQXHPSGM-DEOSSOPVSA-N 430.581 4.986 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](OC)[C@H](C)CC 1545449385 GNCBJMAZMLWZTE-SELNLUPBSA-N 439.604 4.772 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F 1546100967 OVEDHQLYEIUGIJ-SJORKVTESA-N 430.467 4.664 30 10 IJEE CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1cc(F)ccc1F 1559693298 DNVCOOZKHZPKSL-QHCPKHFHSA-N 436.506 4.983 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2nc3c(s2)CCCC3)cc1OC 1560402544 VPLJFJFFJPDJKW-UHFFFAOYSA-N 437.403 4.690 30 10 IJEE C#C[C@@H](NCc1cc(Br)c(OCc2ccccc2)c(OCC)c1)[C@H]1CCCO1 1560446302 HASCWYUWGAQMLL-NHCUHLMSSA-N 444.369 4.697 30 10 IJEE Cc1cc(CN(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)ccc1C#N 1560761236 CUHNXLSRTYBRIJ-HXUWFJFHSA-N 429.358 4.819 30 10 IJEE C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)Oc1cccc(Cl)c1 1562533169 GJNDZNIBKJYXPR-CYBMUJFWSA-N 430.295 4.640 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(C)cc1OCC1CC1)c1ccc(Br)cc1 1564290768 NYBSTROOBSJZTG-HXUWFJFHSA-N 427.342 4.720 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](NC2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 1564406384 FGCPVUNWYHFAIZ-RTWAWAEBSA-N 439.522 4.655 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1 1565302754 RGVZDFPSHFCYLS-IHRKKFBRSA-N 429.605 4.903 30 10 IJEE Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1-c1ccccc1 1584345043 DECXDRPVIWPDOB-GOSISDBHSA-N 430.895 4.574 30 10 IJEE C#CCOc1ccc(COC(=O)c2nnn(-c3ccc(C(C)(C)C)cc3)c2CCC)cc1 1584650472 UZHPTQXLHMVPSZ-UHFFFAOYSA-N 431.536 4.886 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C(C)C 1585129066 OUZGURYYVROGEW-OFNKIYASSA-N 441.616 4.730 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)OC1CCCC1 1587738375 CSSDYZIROUBPJR-UHFFFAOYSA-N 447.377 4.830 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1587888464 FROZTEHBYUAAFR-OAQYLSRUSA-N 437.657 4.603 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 1587980029 VIQFDIMUURTZMF-UGSOOPFHSA-N 425.356 4.746 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cccs1 1588250509 FIURDEODTBFRFH-UHFFFAOYSA-N 446.620 4.922 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCC[C@@H]1C 1589151279 WHWWQWSZVJKYFW-WYWSTJKSSA-N 436.600 4.578 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1589404072 GSNQVKLOMJNAFU-RBUKOAKNSA-N 447.377 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1cccs1 1589504800 JHPQXAAUROOGLE-IRLDBZIGSA-N 433.581 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C 1589658114 SSQPILYVMHRPMQ-OALUTQOASA-N 431.625 4.841 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1593817496 DMGLOSARNZAUDG-WMZOPIPTSA-N 434.943 4.563 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)(C)C(=O)NCC)CC1 1594035301 HFYVFMDUHBFUQN-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1594133611 AJRXSCKYKUYRNF-BILGYAHESA-N 443.680 4.864 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2C/C=C/CC)CC1 1594229890 WCMNCJWUOSTRDK-JXMROGBWSA-N 432.572 4.605 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2)n1CC1CCN(C(=O)OC)CC1 1594559696 QLVDCPWPGOIYPG-UHFFFAOYSA-N 425.577 4.606 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1nncn1C 1594680454 SEWCVHTXQNBYBN-QFBILLFUSA-N 441.967 4.508 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1594692918 KGVUVWWNAMSBMP-SANMLTNESA-N 437.632 4.510 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1594788265 JLWCCUURTYCTHN-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1595250888 LEUYAUBUAHEKPM-ZWKOTPCHSA-N 448.493 4.800 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2ccc(F)cc2Cl)CC1 1611012448 QNRIIZAWDNINIH-UHFFFAOYSA-N 425.891 4.691 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H](C)c1nccs1 1613295103 AUYCZQHMJOQPBM-RTBURBONSA-N 449.628 4.640 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@]3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)cc2n1 1617520190 DPIMCRIEHBBRTM-AREMUKBSSA-N 446.551 4.740 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1)c1ccccc1 1623956935 DAUMEMMIVVAGMP-QHCPKHFHSA-N 437.584 4.885 30 10 IJEE C=CCC1(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)CCC1 1623988243 FLSKKCDMCLZUOQ-UHFFFAOYSA-N 449.370 4.935 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1625196708 HHBULIRTPDDKKI-HSZRJFAPSA-N 426.582 4.689 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)c1ccccc1 1625196723 HJEATSHVBRZMDB-RXVVDRJESA-N 438.572 4.850 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1629024945 BUQPIGOOYYRMKF-ZRBLBEILSA-N 438.568 4.827 30 10 IJEE C=CC1(CC(=O)Nc2nc3c(F)ccc(Cl)c3s2)CN(C(=O)OC(C)(C)C)C1 1632001043 BTVLXKPHSKEIMD-UHFFFAOYSA-N 425.913 4.841 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 1632675460 WYHDUHYLMNLSGJ-IBGZPJMESA-N 431.540 4.772 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(F)(F)C1 1632960026 XTYAAWWAXTXDAJ-QFIPXVFZSA-N 440.490 4.728 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 1633752316 VWSTXTYKOVFTBF-OAHLLOKOSA-N 438.471 4.544 30 10 IJEE C#CC[C@@H]1CCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633895247 WUSXLMFWNUDIKG-HXUWFJFHSA-N 430.548 4.567 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1OC 1634895324 HUZKEAIAUWBVRH-WSSFADSRSA-N 436.335 4.820 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nc2sc3c(c2c1=O)CCC3 1640683599 HFFXNQXEJQSMIR-HNAYVOBHSA-N 445.654 4.650 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)cc21 1648046327 VANKCMMSHFFWGF-UHFFFAOYSA-N 446.551 4.810 30 10 IJEE C=CCn1c(Sc2cc(C(F)F)nc3ncnn23)nnc1-c1ccc(C(C)(C)C)cc1 1651334982 DNUSQYHOFMBGQA-UHFFFAOYSA-N 441.511 4.955 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cccc(Cl)c2Br)cc1 1656933517 YHWAKRUHNIHZFT-UHFFFAOYSA-N 429.767 4.521 30 10 IJEE C[Si](C)(C)c1ccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)cc1 1657631975 IPMDFQLRXYSFBN-UHFFFAOYSA-N 426.596 4.892 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2I)cc1 1659757420 FYIAEYUTIUTTID-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE N#Cc1cc(S(=O)(=O)N(CCc2ccccc2F)C2CCCC2)ccc1C(F)(F)F 1661104275 FMCHJGRGQIQILX-UHFFFAOYSA-N 440.462 4.892 30 10 IJEE C=CCOc1ccc(OS(=O)(=O)c2ccc(Br)cc2Br)cc1 1662405245 FPLXHTSRAJHYGR-UHFFFAOYSA-N 448.132 4.544 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC(F)(F)c1ccc(Br)cc1 1669536876 OMHDCXWFOLFDOE-UHFFFAOYSA-N 427.220 4.514 30 10 IJEE C=CCC[C@H](NC(=O)NCCn1cc(Br)cn1)c1ccc(C(F)(F)F)cc1 1670826794 NPPYSJQJNRIXRG-INIZCTEOSA-N 445.283 4.671 30 10 IJEE C#Cc1ccc(CNC(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)cc1 1672882717 PFQVLWCWQGRNAU-ZBLYBZFDSA-N 442.559 4.553 30 10 IJEE C#CC1CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)CC1 1675936657 LSNLVGIXEHAAAN-JOCHJYFZSA-N 439.650 4.624 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1678803101 HRYPOQQJGWASMJ-UNEWFSDZSA-N 430.902 4.767 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](C)Oc1ccc(Br)cc1)c1ccc(Cl)cc1F 1679357510 STYCURHDWURUNZ-SGTLLEGYSA-N 439.712 4.683 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1684682731 VSSYXUSGXYBTJI-IBGZPJMESA-N 433.568 4.949 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCn1cccn1 1689837215 BAGITROVPGGTQR-KRWDZBQOSA-N 434.544 4.557 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@@H](SCC)C1 1689904123 LGSLORNICHBUSL-OAQYLSRUSA-N 430.593 4.912 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N(C)c1ccccc1 1689951428 WYSGEPYZCGLAFT-LJQANCHMSA-N 433.625 4.870 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCS1 1690214744 VFZKEPUIJQDONL-YADARESESA-N 440.613 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN1CCCCC1 1690259193 ABKZQAGSDVZIGX-UHFFFAOYSA-N 432.012 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCOCC(F)F 1690259355 GKQMNCPADZBZTL-UHFFFAOYSA-N 443.336 4.700 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN1CCCC1 1690515122 FWQBBOLZLPXYCE-NRFANRHFSA-N 425.621 4.779 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2C)C1 1690749523 GRVAKKOKRJJPEI-NRFANRHFSA-N 440.638 4.736 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1705615959 OLZHBORLZPNRCQ-RUZDIDTESA-N 433.644 4.773 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1705778136 LBSYSCTUKMAZSM-IRLDBZIGSA-N 439.560 4.707 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](OC)C(C)(C)C)CC1 1705779483 KWUXIIMANCUTKJ-QFIPXVFZSA-N 434.588 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](c2ccccc2OC)C1 1705793529 AWKODGHEZKCTNB-NRFANRHFSA-N 431.584 4.869 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705948726 DCDNYYBHBIMBDD-YUXAGFNASA-N 442.629 4.800 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1C 1705950085 RCIHSQOYGKYOTK-KURKYZTESA-N 435.638 4.504 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@@H]2C)cc1 1710533388 APZIUWUZGKQJOF-IYWMVGAKSA-N 425.577 4.849 30 10 IJEE CSc1cccc(F)c1Cn1c(-c2ccc[nH]2)nnc1N(CCC#N)CCC(C)C 1712770495 DMZKGKFJZDTXMO-UHFFFAOYSA-N 426.565 4.949 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722330914 QXBNZEJFUGJQRU-RBUKOAKNSA-N 445.405 4.761 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)N1CCC(C)CC1 1722343781 JLQLBZYSFHQGDF-QFIPXVFZSA-N 444.627 4.542 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1722415406 QTZPEBDQOHTCLF-REWPJTCUSA-N 425.646 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1csc(CC)n1 1722467871 XDIOWWGMWJPLMM-WAIKUNEKSA-N 439.560 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)c(OC)c1 1722474746 JLOMIAKYWJXICX-RQNQAMLKSA-N 436.600 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCOc2ccccc2Cl)nnc1C(C)(C)C 1722500842 NIXLYMZBRJHFHQ-PXNSSMCTSA-N 432.996 4.725 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722520499 UIPZJJMXLQNAPN-SFHVURJKSA-N 427.911 4.757 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1722536180 LAKYKNYXFHPFIX-IBGZPJMESA-N 434.531 4.548 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1)c1ccccc1 1722541111 VCSXJLIQPKGBPY-APWZRJJASA-N 448.514 4.800 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722548249 XWPGLJRWGGLQAM-QAPCUYQASA-N 427.763 4.726 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](OCC(C)C)C1 1722548987 YGXNSFOQEGXIHQ-HNNXBMFYSA-N 439.785 4.711 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1722586237 XOJDHAXKSFLYDJ-FUHWJXTLSA-N 443.592 4.798 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)c1ccccc1 1722594832 RGJHRQYCFWWUMA-GGAORHGYSA-N 434.588 4.556 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc([C@@H](C)O)cc1 1722661813 AWNPLQLAJPTJFB-LJQANCHMSA-N 445.592 4.620 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CCCO)CC1 1722682897 QPQKOMZHSNUYQB-SFHVURJKSA-N 432.996 4.863 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1722734288 YGYROVOTCPYNDU-IBGZPJMESA-N 441.988 4.960 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)OC 1726846095 GQTOYHLBULKQEO-MWRIXTAVSA-N 443.567 4.748 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1740590457 FEHOSQLOBXSGRO-FXAWDEMLSA-N 439.337 4.581 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CC1(CCOC)CCCCC1 1740654099 HIYMSFNFGOKDHE-UHFFFAOYSA-N 432.612 4.627 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCC[C@H](C)C1 1740733471 FKFUZIOGGWXGQK-JEYPMZLKSA-N 449.643 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CC[C@@H](OCC)C(C)C 1740734051 PJBJPXHDELWHFS-ZEQKJWHPSA-N 433.600 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740750249 AJNBTODCOREWMO-BJLQDIEVSA-N 429.634 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1740771169 VBLGOCBYBIVNLY-SFTDATJTSA-N 425.621 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1740847829 VGHNRYWNQKICCK-LJQANCHMSA-N 432.515 4.937 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](c2ccco2)C1 1740870230 KHXILEQQDBENCR-KRWDZBQOSA-N 438.528 4.524 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C)CC1 1740876534 TZLFODWCRIHMPA-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1cc(C)cc(OC)c1 1740924068 FPCGQWPGAHZSHB-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1740946652 FLRLVSSQGQYZAY-UXHICEINSA-N 429.609 4.738 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCC(F)(F)C1 1741801501 CSQJOWFCWXBIOJ-UWVAXJGDSA-N 445.514 4.745 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N 1746415754 GWTOQFJJBLAAMF-NLWGTHIKSA-N 440.661 4.744 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1sccc1C 1748795168 ZNIZQWNAXMPDIW-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1749091702 DQVYFARCYALAPH-OALUTQOASA-N 445.405 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(Cl)cc1 1749163441 JFIILTHRRCXWME-UHFFFAOYSA-N 434.975 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1N(C)CCCC1(C)C 1749163839 QAAYOYQNKGBQEC-QHCPKHFHSA-N 434.632 4.873 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749174699 YVHPCJUVARTQRK-QHCPKHFHSA-N 435.616 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1749366232 AGRBCOUNRHMDEQ-SFHVURJKSA-N 431.625 4.889 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749412173 KPXVVJQQFHQFJE-JPYJTQIMSA-N 427.980 4.597 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749413058 ROWWZCINCTWUNH-MIZPHKNDSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1749419733 NYUSLUBETNLPCO-IBGZPJMESA-N 448.546 4.609 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCCCCC[C@H]21 1749448938 GEDMMTZLJSHGHB-DENIHFKCSA-N 440.588 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(O)CCCCCC1 1749474080 KUEDSBVDAPKWQC-UHFFFAOYSA-N 436.556 4.825 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2csc(C(C)(C)C)n2)o1 1751487201 FXSXRJJXRJXQTP-HSZRJFAPSA-N 438.601 4.973 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@](C)(CC)O1 1760228728 QCVQSIAOAMTZMY-GCJKJVERSA-N 445.405 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN(C)C 1760290246 ZSEFCWOQTAQIRZ-HOYKHHGWSA-N 444.023 4.651 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1760301170 UHUVVLCWCOLBBS-CZUORRHYSA-N 433.350 4.770 30 10 IJEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1760371602 FRXKORHGKWEGAU-ZDUSSCGKSA-N 444.764 4.979 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760386675 GFFHBAMPMNUMOL-KDOFPFPSSA-N 439.412 4.980 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C2CCCCC2)N(C)C)CC1 1760390431 GGTLZIHXLRKCBC-HSZRJFAPSA-N 437.632 4.544 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760422657 PNJQNZPJHUQPBK-NRFANRHFSA-N 440.979 4.749 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1760446332 OFFSMIJVSFEXLT-OAQYLSRUSA-N 433.581 4.682 30 10 IJEE Cc1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(C)(C)CN(C)C)c2ccccc2n1 1761678594 HVEKSTAZKIEZCN-SANMLTNESA-N 445.615 4.520 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)COC)s1 1764595196 DQGKRBZPJYVXHE-RDJZCZTQSA-N 438.601 4.624 30 10 IJEE CCN(CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)CC#N)CCC(F)(F)F 1765231589 FHZSHSFBLLPBGN-INIZCTEOSA-N 448.493 4.704 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc(=O)c3c(C)c(Cl)c(C)cc3o2)c(C#N)c1C 1859735906 BIKAQTZGPAOPMS-UHFFFAOYSA-N 444.896 4.734 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C1CCN(Cc2cccc(F)c2)CC1 1861179869 HBLYKWPNUDHWGK-SANMLTNESA-N 447.639 4.799 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1ccccc1Cl 1861563851 QIKXKIYVWFIINM-CMXLANDRSA-N 435.008 4.572 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862415183 RADONFQCGMXOJI-OAQYLSRUSA-N 434.398 4.818 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(C)c1 1862428935 AVJYDDJQRAVPLP-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1862446039 JRKLRFNHWOJNMM-LJQANCHMSA-N 435.854 4.623 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)cc1 1862470800 WFYFWYARWSRYJB-ORAYPTAESA-N 444.325 4.835 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(N(C)C)cc2)cc1 1862477746 QZGCHJFGNXIORW-DEOSSOPVSA-N 444.506 4.979 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(CC)cc2)cc1 1862529919 LJGCUDZYKMRFGN-XMMPIXPASA-N 434.580 4.732 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c1 1862703281 SPFDSOOIJOBZAG-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)cc1 1862748645 GPJJGYCQIMAASJ-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)c1 1862773377 KPPWWVHNQISLGU-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1 1862791073 VUFJOPZLKOARAY-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1cc(Cl)c(C)cc1NC1=C(c2cccs2)C(=O)N(c2cccc(C#N)c2)C1=O 1863113762 VNWDKEDKPUUAGY-UHFFFAOYSA-N 449.919 4.987 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCCCO)C1=O 1863508662 MQJACYNHEPWTIC-UHFFFAOYSA-N 432.580 4.799 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cccc(C#N)c2)sc(C(=O)OC2CCCCC2)c1C 1866100187 SEMBAZFSVPEVFR-UHFFFAOYSA-N 440.521 4.847 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CSCc1ccccc1 1870197814 KCRPKJWSQNPXMU-UHFFFAOYSA-N 434.561 4.794 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccccc2)cn1Cc1ccc(C)cc1 1870601407 GQJUSZBOTGDMFP-UHFFFAOYSA-N 444.575 4.837 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O 1871349231 QSPSWFQNKGDFTH-JLPGSUDCSA-N 436.552 4.585 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(-c4ccccc4)cc1)C3=O)CN(CCN(C)C)CO2 1871352563 QBQDXYYFKPRGBM-MYYYXRDXSA-N 440.543 4.992 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)c1 1871389494 YQCCUPDVDBNTGO-STZFKDTASA-N 429.428 4.541 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 1871407768 QPCIGMDYGPKRHR-SGMWPGOQSA-N 445.471 4.726 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871414188 BCIGVCFVZVLUGD-UCQKPKSFSA-N 433.416 4.677 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871443158 RVIHOEIRUZSQKX-UPFJJGCZSA-N 427.456 4.891 30 10 IJEE CCN(CC)CCOc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 1871451847 PUFFPAQMWAADFK-BKUYFWCQSA-N 446.341 4.795 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)c1 1871455629 QNQUDHCTNQWHET-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)cc4)cc(C)c3C2=O)c1 1871456812 YEWSHIRJBCLTIO-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871779263 DLTHVLPWOWNAFD-LBPRGKRZSA-N 447.771 4.851 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)C1CC1 1872229436 YKAUETFLCUJZPU-JOCHJYFZSA-N 426.582 4.644 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1cc(C)ccc1O 1874212874 JKYUQQOPXNKDAG-OEAKJJBVSA-N 430.961 4.951 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccc(O)c1 1874291621 YXEMKZHDJPXDKI-MFKUBSTISA-N 446.532 4.746 30 10 IJEE Cc1cccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2cccs2)c1 1874334141 HSYBHDWRTWYSIJ-BYWZACNXSA-N 439.610 4.547 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc2ccccc12 1874362052 LRCOOJGQXIXUEW-WGOQTCKBSA-N 444.560 4.672 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1sccc1C 1874474986 DETMLFSFSVJXOD-WSDLNYQXSA-N 431.562 4.743 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NCc3ccco3)nnc2C(C)(C)C)cc1 1874482661 WXHVOYSUIIYMAT-DHRITJCHSA-N 439.585 4.583 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(F)c2)c1 1874483881 SLDMSMQHPYRQNI-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc2ccccc12 1874524114 XDQGBUFEDSHCDM-AFUMVMLFSA-N 433.512 4.746 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccc(F)cc1 1874576985 PWQZVDGBYVIYTK-XNTDXEJSSA-N 435.451 4.757 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)NCc1ccco1 1874595703 ZPRVZEZNWHJHQL-ONNFQVAWSA-N 425.868 4.533 30 10 IJEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)NCc1ccco1 1874600710 ZESUQKYPRKFQBE-VQHVLOKHSA-N 433.504 4.805 30 10 IJEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 1945796212 YOGQAWINOXCNNM-LPHOPBHVSA-N 433.549 4.880 30 10 IJEE C#CC1CCC(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC1 1984724964 YNTXZPNWIFXWSR-XYVRPBRGSA-N 444.575 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](O)c1ccc(Br)c(Cl)c1F 2036851279 KTXYSXBNADYWJA-MOPGFXCFSA-N 428.729 4.636 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2038297482 WAUMXIBEPACZOX-XKPFWTEKSA-N 443.544 4.728 30 10 IJEE C=CCC1([C@@H](N)Cc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047966608 AHOKLJITRSBWAX-INIZCTEOSA-N 429.786 4.786 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(Cl)c2F)C1 2077087704 KZJPNZCQPIBKAC-UHFFFAOYSA-N 433.705 4.794 30 10 IJEE CC[C@@H](C)[C@@H]1CSC(=Nc2ccc(I)cc2Br)N1 2081320262 WMIFHTOGRVSSME-PELKAZGASA-N 439.160 4.792 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(Br)c1F 2102885010 FXGBAGICDQBFFS-PBHICJAKSA-N 431.321 4.685 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cccc1Br 2116838388 GXTKINNEVYKNNY-AEFFLSMTSA-N 427.358 4.936 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(CCNC(=O)OC(C)(C)C)CCCCC1 2124499363 JVNHLMQCTHTIDD-UHFFFAOYSA-N 429.399 4.775 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2124522386 SEQOZXHQBZUGFP-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C[C@@H](c1cscc1Br)N(C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2130027179 QCULULQSIXZKRP-SWLSCSKDSA-N 444.395 4.617 30 10 IJEE C=C([C@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1)C(F)(F)F 2147311641 GQJGXGUKSDBJTH-VHSXEESVSA-N 437.119 4.793 30 10 IJEE C[C@@]1(C2CC2)CN(c2ccc(C#N)c(Br)c2F)CCN1Cc1ccccc1 2151102222 QNUQBWZGLPHIEW-QFIPXVFZSA-N 428.349 4.951 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)NCc2cccc(C#N)c2)c1 2181051819 ANYLDRQNAJATME-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1(C)C 2186211869 JIVMBFRVDLHFAK-CZUORRHYSA-N 436.350 4.589 30 10 IJEE C[C@@H](CC1CCN(c2cc(Br)c(C#N)cc2F)CC1)NC(=O)OC(C)(C)C 2203524943 VJTCLMMFNHVBDV-ZDUSSCGKSA-N 440.357 4.980 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2214836329 JLJKNVMZPGUTQA-MRUHUIDDSA-N 436.557 4.852 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2224099427 GTEVXNTYEJWRMD-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@H](O)c1cc(C(F)(F)F)ccc1Br 2228061188 XYXCPGGRXYJVCJ-QZTJIDSGSA-N 430.264 4.602 30 10 IJEE C=C(I)COc1c(F)cc(Br)cc1CN[C@H](C)CC 2231572567 NCDGCDKPVZPRPE-SNVBAGLBSA-N 442.110 4.804 30 10 IJEE C[C@@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1ccccc1NC(=O)OC(C)(C)C 2232315089 BDFJRKOHFMVFKX-MRXNPFEDSA-N 440.349 4.868 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235725253 IVUZMUYONOIDKY-MOPGFXCFSA-N 437.422 4.964 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@H](O)C#Cc1ccccc1Br)C2 2235736023 WFMSGVJYAJSIAS-LJQANCHMSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](N)C#CC1CCCCC1 2289694434 WARQYCMWMWFTMS-UXHICEINSA-N 435.406 4.796 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OC)c(OCC)c2)C1=O 2293366953 DMIVPIGQHMSLGX-UHFFFAOYSA-N 425.506 4.638 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC1=CCN(C(=O)OC(C)(C)C)CC1 2296221914 NDMOINQAXUGQFD-HXUWFJFHSA-N 433.390 4.736 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)C#Cc2cccc(Br)c2)C1 2296223988 GENLRQHQKORAPI-GOSISDBHSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@H](N)C#Cc2cccc(Br)c2)C1 2296274274 SYVUQSPFDQDDDI-LRXVAGHRSA-N 433.390 4.555 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2296274429 UPDIGXKNXSUKII-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(I)ccc1F 2296284569 SCJPJYGIMPYOLG-INIZCTEOSA-N 444.085 4.505 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2296293525 KNVYDNIPIVLPAY-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2ccc(Br)cc2)CC2(CCCC2)C1 2296296778 RIHZPUHZEAMGNK-GOSISDBHSA-N 433.390 4.746 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2296300060 CJZWHGAPQPQBOF-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2296309980 CSMAUKSUGKUHBI-OXJNMPFZSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(C)(F)F 2296310949 PTMOQNCEDDDZPV-SJORKVTESA-N 445.348 4.717 30 10 IJEE O=C1ON=C(c2ccc(Cl)cc2)C1=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 2297451567 WGZPRHVKNYAMRN-UHFFFAOYSA-N 448.818 4.812 30 10 IJEE COc1cc2c(cc1C=C1SC(=Nc3cccc(C(F)(F)F)c3)N(C)C1=O)OCO2 2297454118 PNUXZIPIYUDPNI-UHFFFAOYSA-N 436.411 4.677 30 10 IJEE CC1(C)OB([C@H]2CCN(Cc3cc(Br)ccc3Br)C2)OC1(C)C 2303149527 DFNQHVHHBSYDQW-ZDUSSCGKSA-N 445.004 4.880 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 2306520541 GYMUKOLIQRHECN-DQEYMECFSA-N 428.573 4.699 30 10 IJEE CC[C@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317336467 WFBNXFGZFDGQOM-YAOQVBECSA-N 432.370 4.798 30 10 IJEE COc1cccc(C(=O)C=CC(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)c1 2320927436 ILLMYHNVMFXCKV-DEOSSOPVSA-N 444.531 4.757 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC)cc4)c3C)C2=O)cc1 2322687632 FSXQUSFUXROEBI-UHFFFAOYSA-N 444.439 4.626 30 10 IJEE O=S(=O)(NN=Cc1ccccc1OCc1ccccc1)c1ccc(Cl)c(Cl)c1 2323354751 XXFOWUPTBZSATH-UHFFFAOYSA-N 435.332 4.885 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)c1 2323792166 ZXIVXVPRGIQAQQ-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)CCOc3ccccc3)c2)cc1 2325718499 JYARHAARHNTHLI-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccc(O)cc1 2325894142 NAJVOCCHISYCQT-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326733481 ASQYCMDVWDXGJL-UHFFFAOYSA-N 428.533 4.950 30 10 IJEE CCCOC(=O)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccco1 2326945423 QIVGIOLYUWCJNR-UHFFFAOYSA-N 442.585 4.558 30 10 IJEE Cc1cccc(C=Nn2c(SCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 2327863595 XTAQDURFPGSAKO-OAQYLSRUSA-N 447.608 4.875 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cc(OC)ccc1OC 2328796750 GHJLXYNOCGTARI-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2C)n1N=Cc1sccc1C 2329517711 HYIJGPUSOXNUPX-UHFFFAOYSA-N 442.610 4.669 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1sccc1C 2329622149 JARLKPGARWYPAD-UHFFFAOYSA-N 434.974 4.896 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1cc(C)ccc1O 2331087198 CFZQNQGPXVGGCE-UHFFFAOYSA-N 443.617 4.573 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c1OC 2331175864 KQUXSYHQLRCHFV-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C(C)(C)C 2331413738 MEZHXHIBTILNOE-MRXNPFEDSA-N 441.626 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339578138 CNFJAVCMPONHPQ-XUDAUXSOSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339579057 PXVLBTZADDYZCG-QTLHYBLBSA-N 447.360 4.534 30 10 IJEE Cc1c(Cl)cc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2342486635 XGUFRYKPFIEKOP-ZDUSSCGKSA-N 428.563 4.719 30 10 IJEE O=C[C@@]1(Cc2ccc(I)c(Br)c2)CCCC(F)(F)C1 2349846712 CCMMHMYFCRRMSV-CYBMUJFWSA-N 443.069 4.991 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CN(Cc3ccccc3)C3(CCCC3)C2)n1 2362153528 MCSSJVXQJSVBKW-QHCPKHFHSA-N 447.432 4.688 30 10 IJEE CC(C)(C#N)c1ccnc(Nc2cc(Br)ccc2I)c1 2363650731 SCHNXQVUIYOWNT-UHFFFAOYSA-N 442.098 4.993 30 10 IJEE Cc1cc(CN[C@H]2CCN(Cc3ccccc3)CC2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678925 KSUCAQMMPBUUQJ-VWLOTQADSA-N 448.460 4.685 30 10 IJEE N#CCc1ccc(COCc2ccc(I)c(Br)c2)cc1 2377642574 TYABOMVQCHYWNW-UHFFFAOYSA-N 442.094 4.837 30 10 IJEE Cc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c1 3041781 ZCTYJFMXKJXLQT-VYIQYICTSA-N 428.561 4.849 30 10 IJEE COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4C)nn32)cc1 9856546 HVEKPIFKYZWUSK-JOCHJYFZSA-N 432.549 4.909 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1OC 21249040 AWEDNADKTCFYHO-ICSRJNTNSA-N 449.547 4.885 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccncc2)cc1 33382750 CINRCESHUVZWGQ-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)c1 33431327 DEIYXPIMSGKEFL-JOCHJYFZSA-N 433.460 4.553 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)c1 34955311 HBACKSDWGUYTNS-MDWZMJQESA-N 448.471 4.836 30 10 IJEE C=CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(OC)c2)cc1 37557299 XKQBVRPOUMEFKI-UHFFFAOYSA-N 432.495 4.526 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nccs2)cc1 38725833 JKBWEOOXSPVNDW-HXUWFJFHSA-N 446.484 4.573 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(/C)c2ccc(F)cc2)n1 59021913 AJLUDIJJCYAJNP-CFRMEGHHSA-N 444.561 4.623 30 10 IJEE Clc1cccc(/C=N/Nc2nc(SCc3nnc(-c4ccccc4)o3)n[nH]2)c1Cl 59814923 RIGQMXBYVBXPJJ-ZVBGSRNCSA-N 446.323 4.900 30 10 IJEE C=CCn1nc(SCC(=O)Nc2cccc(C)c2)nc1-c1ccc(Br)cc1 72261386 BQMWKHNNFKLLFL-UHFFFAOYSA-N 443.370 4.933 30 10 IJEE C=CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 102589540 ZVARSPNDYNXPAK-HMNTXPNISA-N 432.701 4.710 30 10 IJEE CC(=O)Nc1nc2ccc(NC(=O)/C=C/c3cn(CCC#N)c4ccccc34)cc2s1 108638115 DYXXHSLBHMNVPV-JXMROGBWSA-N 429.505 4.775 30 10 IJEE COc1cccc(/C=N\n2c(S)nnc2Cc2cccs2)c1OCc1ccccc1 169913872 YQAPIIUXFMLSNU-UCQKPKSFSA-N 436.562 4.689 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922956 SGSKSSQBYBKPAP-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1OC 169945959 YDSOXNZGHLGHCZ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccccn1 169946647 KKWIXACSJVXZGX-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccnc2)cc1C 170001199 RAEGFXKCPFLMBI-QHCPKHFHSA-N 427.504 4.547 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccnc1 170005650 GZDGUUFRMHVGHS-NRFANRHFSA-N 448.862 4.555 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@H]1c1cccnc1 170012958 QDDIIPJHEWJZHG-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccncc2)c1 170014935 FINYTXQPKJAOAP-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccco2)cc1Cl 170092220 SKHHBIYHYZSPSK-LJQANCHMSA-N 427.815 4.864 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccco2)cc1C 170098601 IUBUPQNETVZCTK-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)c(C)c1 170122333 CMDTXFYDBANGGB-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)c(OC)c1 170126669 MDZCHENZBOSGBG-QHCPKHFHSA-N 431.488 4.845 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC)c(OCC)c1 170127667 OLXLGFPXPGEWBS-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)c1 170131922 GEAYGAMLVKGUBR-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(C)c1 170144492 VQFMPPSGLWZTIL-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccs1 170154404 VBRVSJZOZBCHKA-IBGZPJMESA-N 441.530 4.605 30 10 IJEE CCCCOC(=O)c1ccc(N2CC(=O)C(c3nc(-c4cccs4)cs3)=C2N)cc1 170180981 LOTHVXXXGSTUMP-UHFFFAOYSA-N 439.562 4.545 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2cccnc2)cc1 170190726 DKSODDNWZASWOW-DEOSSOPVSA-N 435.483 4.615 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccncc1 170202732 PFMGVCQRTYSVOF-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(O)c(Cl)c1 170219815 MPPKPLIUIGBKOY-HXUWFJFHSA-N 429.900 4.741 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@H]2c2ccco2)cc1 170285209 FNSADNMFRQJDLA-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccco2)cc1 170289740 RGHJLONXHLLLRZ-LJQANCHMSA-N 449.260 4.697 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299812 ALBHLAILKOEVGJ-QFIPXVFZSA-N 433.435 4.835 30 10 IJEE COC(=O)/C=C1\SC(=Nc2ccc(F)cc2)N(CC23CC4CC(CC(C4)C2)C3)C1=O 254848724 LSJAROGZFWCOLX-OGUMRYMLSA-N 428.529 4.662 30 10 IJEE CCOc1ccc(C(=O)N2CCC(Nc3c(C#N)cnc4c(C)cc(C)cc34)CC2)cc1 301358848 PRBPFEFRRJAULC-UHFFFAOYSA-N 428.536 4.839 30 10 IJEE C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 478999399 VDWBOAJSWSESAW-OHOZJJFFSA-N 443.934 4.984 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC2CCCC2)CC1 508728041 BIGXPKONIWMGLD-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 508849978 SOVGCQDFXILKJI-UHFFFAOYSA-N 437.551 4.883 30 10 IJEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)ccc1OC(C)=O 526606868 OSHDYAPEFURDLC-QFIPXVFZSA-N 446.484 4.611 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)cc1 526657827 VICIGCREBZCIFA-UHFFFAOYSA-N 441.512 4.946 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccccc2Cl)cc1[N+](=O)[O-] 526816741 MGJWEOPJJRQWRA-NHDPSOOVSA-N 431.905 4.721 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 555247730 MJEQSFFRLBXFAT-UHFFFAOYSA-N 448.542 4.980 30 10 IJEE C=CCNC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 586632221 HATIGKUSLNQNET-CQSZACIVSA-N 441.553 4.609 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2cc(Br)ccc2Br)c(F)c1 609252389 QGYZTRQGOQGOJS-UHFFFAOYSA-N 427.071 4.544 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)c1cc(Br)c2c(c1)OCCO2 710767085 OXHYQXVKZMWXPC-MRXNPFEDSA-N 437.334 4.965 30 10 IJEE C=C([C@@H](NCC)c1ccc(I)c(Br)c1)C(F)(F)F 721649513 XZHBOTBWYSBHNH-LLVKDONJSA-N 434.037 4.823 30 10 IJEE O=C(NOCc1ccc(F)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 757609350 ULLOCMBBWOGSOT-UHFFFAOYSA-N 441.299 4.570 30 10 IJEE C=CCOc1cccnc1C(=O)OC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 775240003 HSNMJAWZUWXSBV-UTKZUKDTSA-N 434.458 4.905 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)OCc2noc(-c3ccccc3O)n2)cc1 781846465 LOWIVBCSFVGQIG-UHFFFAOYSA-N 443.484 4.963 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(NC(=O)c2sccc2C#N)cc(C(F)(F)F)c1 785437847 ZTCRKUCXSYTMAJ-UHFFFAOYSA-N 425.432 4.916 30 10 IJEE CCc1cccc[n+]1/C(C(=S)NCCc1ccc(F)cc1)=C(/O)c1ccc(C#N)cc1 789425778 QFDKGODQJYJRAM-UHFFFAOYSA-O 432.544 4.591 30 10 IJEE C=CC[C@]1(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CCCN1C(=O)OC(C)(C)C 791717836 LVKCIDHINWHSFJ-BXKMTCNYSA-N 441.528 4.995 30 10 IJEE C[C@H]1Oc2ccc(/C(=N/OCCOc3cccc4ccccc34)C3CC3)cc2N(C)C1=O 821228125 DOZTXBOCYDGVPG-IWRRVRSTSA-N 430.504 4.793 30 10 IJEE C[C@H](NC(=O)COc1cccc(Br)c1C#N)c1nc(-c2ccccc2)cs1 1125971411 FGFUMHLRYNJJNL-ZDUSSCGKSA-N 442.338 4.700 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cnn(-c2ccccc2)c1I 1126142392 WHJNZMSZRPAUJI-UHFFFAOYSA-N 449.336 4.685 30 10 IJEE C=CCOc1ccc(CC(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)cc1 1127229283 JOIQKDOYFCASGW-UHFFFAOYSA-N 430.589 4.870 30 10 IJEE C=C[C@H](COC)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1128347995 WJWVZTIRNYYKGW-QGZVFWFLSA-N 427.342 4.847 30 10 IJEE C=CCC[C@H](C(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC)c1ccccc1 1133368922 DNJNXFJQOBRCNY-VQTJNVASSA-N 435.442 4.536 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)cc1 1135228659 RIFCBMCZYWNSJX-UHFFFAOYSA-N 429.538 4.522 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)CC1 1136669360 AHDPGGQFAYTBPS-UHFFFAOYSA-N 442.607 4.986 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccnc(Sc2ccccn2)c1 1143325956 BQQLZJZHMWAVRT-UHFFFAOYSA-N 429.505 4.631 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](c4ccc(F)c(F)c4)C3(C)C)n[nH]2)c1C 1153714187 ZGUWZLUUQNPAMQ-QGZVFWFLSA-N 439.510 4.763 30 10 IJEE C=CC[C@H](C(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)c1ccccc1 1155923538 NQLKOSRGEISUSQ-UWJYYQICSA-N 426.479 4.795 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)ccc1Cl 1167263947 GJBRLTKSEFOPCX-QFIPXVFZSA-N 443.950 4.715 30 10 IJEE C#CC[C@H]1CCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)C1 1176070828 QOUIZTWGWMRNRV-HNNXBMFYSA-N 430.957 4.529 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 1203016584 FHVDYIFYICDBFF-INIZCTEOSA-N 432.343 4.728 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1227792221 NAOGHNMPTVDHBB-LJQANCHMSA-N 449.473 4.883 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1254012225 JEPWGIHRBYWYQW-UHFFFAOYSA-N 435.568 4.878 30 10 IJEE C[C@H](CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)Cc1ccccc1 1265745091 FCAIBNABNLLOQP-OAQYLSRUSA-N 427.548 4.778 30 10 IJEE C#C[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1275462228 ALCSBRXXGJGQQT-QGZVFWFLSA-N 426.232 4.771 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)c(F)cc1F)c1ccc(Br)cc1 1275475501 YWBLKZBQAJQFDZ-OAHLLOKOSA-N 429.058 4.594 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2)C1 1286335107 FKOMOVBYNNEMFH-DNVJHFABSA-N 436.600 4.578 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C1CCCCC1)N(C)C 1286379931 FOKFPRIVMWDWKR-OAQYLSRUSA-N 446.064 4.804 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286500705 CEJYUKVZQGYMAE-RTBURBONSA-N 433.021 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1286567504 WHHCMJSYUIHYHN-UHFFFAOYSA-N 430.556 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1286581261 OBGURYFIXDTIHE-SFHVURJKSA-N 445.583 4.571 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C1CCC2(CC1)OCCO2 1286586133 WZNHPBLRBWHZIG-HXUWFJFHSA-N 440.588 4.733 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1286623401 HLNGUQFVQJEAME-HUUCEWRRSA-N 437.769 4.561 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CC)CCOCC2)CC1 1286640532 KDBPKCOOFABYDL-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286694581 VBJBHAUDTSELMY-FQEVSTJZSA-N 435.616 4.704 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1nnc(C)s1 1286763792 UIPAKTPWDKMBKP-UHFFFAOYSA-N 440.960 4.635 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2csc(CC)n2)cc1 1286794654 NJSAVWZVCSEMKP-UHFFFAOYSA-N 434.569 4.542 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccn2)cc1 1286795698 DOQKRLRHRIDFSS-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nc(C)c(C)s2)C1 1286804169 MCDSGUXUNRIULR-GOSISDBHSA-N 429.977 4.501 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cscc2C)C1 1286805129 RAJDUFSNRUNQOF-LJQANCHMSA-N 446.523 4.746 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1286834942 OFEFDYUDUAXXGC-RBBKRZOGSA-N 426.630 4.978 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C1CCCCC1)N(C)C 1291843248 ADEINJHNADUQBX-AGILITTLSA-N 436.648 4.926 30 10 IJEE CCN(CC)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)c1 1295499466 AAIKDXHQIRZIAR-AREMUKBSSA-N 436.648 4.887 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CC[C@@H](F)C2)cc1OC 1296750716 IFLVSPPEUDDYDJ-RGZWJVDOSA-N 441.551 4.621 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCSC1(C)C 1300606624 PPINDHQYMYKMIX-MRXNPFEDSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@@H](C)C1 1300895696 UOEFOUFTZJTYNF-QANWUKQVSA-N 430.637 4.660 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(C)o1 1300897119 OGKXFDYEGKLJEY-GBXCKJPGSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H]1CC 1300905778 VSUIUSXZIAOBIM-QUCCMNQESA-N 430.618 4.577 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[S@](=O)C(C)(C)C)CC1 1301075881 RPCFFRDJTGBJCQ-NDEPHWFRSA-N 441.428 4.956 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1301078879 XAUHBDQRGIULKJ-NRFANRHFSA-N 435.572 4.786 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1301165030 CSBCOVHLQYLUGO-ATIYNZHBSA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1301178056 FONORJXXQZLTGW-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)[C@@H](C)CC)C1CC1 1301316197 HUYOEYLAGKWXAF-BTYIYWSLSA-N 433.394 4.660 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1301402530 MXPDBKCXMCKOGQ-UHFFFAOYSA-N 447.627 4.503 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccsc1 1301406357 QJZOFSUPNREODM-UHFFFAOYSA-N 425.945 4.931 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2ccccc2[C@@H]1C 1301458575 CJXRYYHWUDCXII-SFHVURJKSA-N 437.588 4.702 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCCOC(C)C)C1 1301542614 PKCIKUCGPMLOPV-UYAOXDASSA-N 444.645 4.728 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(C)(F)F 1301802750 DVBZKMLRZKXBKN-UHFFFAOYSA-N 437.560 4.687 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cc1 1310196900 XPRNLLYGXKVKNS-FQEVSTJZSA-N 435.572 4.759 30 10 IJEE N#Cc1ccc(CNC(=O)NCC(F)(F)c2ccc(Br)cc2)cc1Cl 1312581442 DNIXPAYYHLPUSG-UHFFFAOYSA-N 428.664 4.565 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1csc(C)c1 1358880522 NUOKEJRMGUZTMT-CYBMUJFWSA-N 445.386 4.592 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccc(F)c1 1358899732 TVILEILCVKVZFF-DUXKGJEZSA-N 426.580 4.772 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(Cl)s1 1358984888 JOGOZVFHKJCKDE-MRXNPFEDSA-N 442.947 4.783 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCCS1 1359003951 CKYANIYUSICBCT-NRFANRHFSA-N 436.581 4.862 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1359004888 NNGYTRQRWLGMRW-NFBKMPQASA-N 449.624 4.558 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1359055186 VQJKSTVDIINBKL-MBSDFSHPSA-N 447.608 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCOC)CC1CC1 1359094433 AZMOMVFHIGOWSJ-DYESRHJHSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCn2cc(C)nc21 1359115915 QSUZJJQNFWBARL-HSZRJFAPSA-N 432.616 4.938 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)C2CC2)CC1 1359173783 OAVCBRCXYBZOAG-QMHKHESXSA-N 430.980 4.635 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359179706 CPUACHJYIGZNKG-AREMUKBSSA-N 434.584 4.697 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1C(C)(C)C)c1ccccc1 1359195079 GKYFWJKZMMPFSR-SFHVURJKSA-N 436.522 4.829 30 10 IJEE C=CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1359206002 QSWRMEJMSJMOES-LJQANCHMSA-N 440.588 4.510 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1Cc1ccc(CC)s1 1359260836 PHVZTJDAVXGEBU-UHFFFAOYSA-N 434.544 4.739 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1359267059 TYFQIDNJMIWZSI-NVQXNPDNSA-N 449.599 4.531 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCCC[C@@H](SC)C1 1359309045 GMUJDTMMPCOIIY-HXUWFJFHSA-N 437.613 4.619 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC(C)(C)O)C1 1359313860 SCORHPRWJMSYQS-HNNXBMFYSA-N 447.004 4.756 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 1434948982 HPWKKISSCKLNFK-CJFMBICVSA-N 446.595 4.651 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 1435073070 JVHLAOIHWFBZSK-OAHLLOKOSA-N 426.385 4.557 30 10 IJEE N#CCc1cccc(NC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c1 1436284597 GWMLPQNUXFVYOB-UHFFFAOYSA-N 440.212 4.911 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccccc1 1439948471 APYJVNOCMITCDQ-GFJKYASSSA-N 446.572 4.932 30 10 IJEE CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 1441608564 APDFJORQUFCLBA-DSNGMDLFSA-N 430.548 4.637 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl 1445467688 ZWBIIZRAHRIKKL-KRWDZBQOSA-N 427.372 4.737 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC)cc1OC 1447576905 SDWCRFYINIXJSC-VSFZPWCASA-N 444.572 4.521 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1450620713 GSGSRKKFJZKODQ-QHAWAJNXSA-N 444.959 4.613 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)C1 1452183750 VSFATZNXTLOAAE-KRWDZBQOSA-N 444.453 4.598 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)C1 1454047790 BUXZWEXCGAOAQU-NRFANRHFSA-N 438.593 4.624 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCCC(=O)Nc1ccc(Cl)cc1 1461074175 WUKLFDMQNZVUFH-UHFFFAOYSA-N 435.749 4.623 30 10 IJEE C=CCCC1(CNC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)CCCC1 1461526799 HEHUEGLAIHECIG-UHFFFAOYSA-N 433.474 4.816 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(OCC)c(OCC)c1)C(C)C 1463801432 VZMIRYQPUUXZEZ-UGKGYDQZSA-N 446.588 4.604 30 10 IJEE Cc1cc(NC(=O)N[C@H](C)Cc2cc(Br)ccc2F)c(C#N)cc1N(C)C 1466763364 DSAMJXSLNCQNPV-CYBMUJFWSA-N 433.325 4.587 30 10 IJEE C#CCN(C(=O)NCc1cccc(COC2CCOCC2)c1)[C@H]1CCCc2ccccc21 1468606703 CZGDIMDXTZOYLS-SANMLTNESA-N 432.564 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 1470007472 LOGSFLGEMZCAQB-NBHGPNQESA-N 428.470 4.932 30 10 IJEE CC1CCN(Cc2ccccc2CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 1470075682 FROPCFMCYNRDKG-UHFFFAOYSA-N 428.580 4.789 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(F)c2)nc2sc3c(c2c1=O)CCCC3 1472931473 NWIYJFVKRIEUNM-ZDUSSCGKSA-N 443.569 4.781 30 10 IJEE C=CCC[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 1473316978 FGMMSXRKPQBHCD-OAQYLSRUSA-N 426.438 4.602 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)n(-c2ccccc2)c1C 1473344774 CWKDFUADXILNHC-UHFFFAOYSA-N 435.531 4.565 30 10 IJEE N#Cc1cccc2c1CCN2S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 1475414066 GZNVDMLFNXPNJC-UHFFFAOYSA-N 439.334 4.739 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 1478806084 JHQWTLMMFFXONY-LRSLUSHPSA-N 427.589 4.509 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)[C@H](C)CC)cs1 1498387184 BLFGOLLXOVXWGS-UZLBHIALSA-N 438.601 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507532659 IGHZWCZEMDDRNX-NOXFTYBFSA-N 447.583 4.899 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)CN1CCCCC1 1507605142 QMMWCVVYLVIOEB-LJQANCHMSA-N 448.640 4.568 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccco1 1507746226 NCNMNEHPGDOTIK-MRXNPFEDSA-N 430.961 4.667 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(CN(C)CCCC)CC1 1507795359 DLAFTSGGFLSXHL-RPWUZVMVSA-N 443.680 4.865 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1C(C)C)c1ccccc1 1507921660 WVUODIGCUPQMRZ-VXKWHMMOSA-N 444.583 4.910 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OCC=C)C1 1507939248 JVOKVSDTBWPUHK-MRXNPFEDSA-N 435.341 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC(F)(F)Br 1507997249 PVFPPAAHSQDFBB-UHFFFAOYSA-N 438.320 4.628 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C)nc1 1508008035 AZLDTDIHOWMACJ-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1508162200 POKMTLCZPYUQIQ-ROUUACIJSA-N 447.674 4.665 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]1CSC 1508165336 RVQZVQJFSXPGBP-LJQANCHMSA-N 427.643 4.532 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1509043028 BIGORBWKHSOCPT-SFHVURJKSA-N 435.601 4.639 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OC(C)(C)C)CC2)CCC1 1519922221 DGLDFLANQBTNEX-UHFFFAOYSA-N 439.629 4.886 30 10 IJEE C=CCC1(C(=O)NCCN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)CCC1 1521103909 LZFOEHYBNKCKJL-NTCAYCPXSA-N 439.364 4.892 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)cc1 1521561749 BJOBXRBJVDNOPL-UHFFFAOYSA-N 447.535 4.820 30 10 IJEE C=CCC1(CNC(=O)c2cc(Br)ccc2I)CCCC1 1525842625 MLLZVHPIMUWXJC-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCc2cc(Br)ccc2F)cc1OC 1526949516 JRMHQTHUMDBJRT-WEVVVXLNSA-N 434.305 4.534 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)CCCN1C(=O)OC(C)(C)C 1528830573 MKBQXOVUJSSTIV-NSYGIPOTSA-N 443.563 4.710 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)cc1 1529257986 DJKGPSGINSOBBX-NRFANRHFSA-N 435.524 4.725 30 10 IJEE C=C1CCC(C(=O)N2C[C@@H](C[C@@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)CC1 1536018692 VDUTWYQAUZDYDW-NHCUHLMSSA-N 440.584 4.889 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc21 1538956241 MTDRENXPNRNEOQ-HRAATJIYSA-N 443.334 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)C(F)(F)F 1538992326 PGXSUHGLCGGRFI-HNNXBMFYSA-N 438.494 4.789 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCC[C@H]21 1539065502 HBQILHUJBUIZOB-NJDAHSKKSA-N 441.620 4.575 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1539070918 GVAOGNLVZSEMCN-GOSISDBHSA-N 430.890 4.846 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OCCC)nc1 1539154045 DZWDQBNMKDIITQ-UHFFFAOYSA-N 435.597 4.577 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1539379379 ONNBYDZCTHEAEE-OVKKFJMPSA-N 447.432 4.537 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCC1(C)C 1539395214 AGVWQOFMUOTQDV-MOPGFXCFSA-N 445.007 4.984 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC2(CCC2)C[C@@H]1CC 1539602905 CQFOEAITIROUOI-INIZCTEOSA-N 436.423 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1C 1539622361 WRAJGBVLIOVITC-WDYCEAGBSA-N 431.378 4.678 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccccn1 1539638268 YPJMSDNUYHTSDG-WMZHIEFXSA-N 437.975 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)C[C@@H]1CC 1539639944 CYJNSKGDIDSCLM-YWNPBTLJSA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCc1cnn(C)c1 1539651207 BLQRRHDMTMYDLY-UHFFFAOYSA-N 429.572 4.570 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2c(C)noc2C)CC1 1539891757 KMZDYYLVFIJQOK-UHFFFAOYSA-N 425.964 4.772 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cc(C)nn1C 1539944347 BHPVORJOFBQDBO-UHFFFAOYSA-N 429.572 4.766 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1539998609 LWXIAEDCUBKPLC-NRFANRHFSA-N 442.579 4.828 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)C1 1540019902 FQMUKEVDFOQAQL-UYAOXDASSA-N 430.618 4.569 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@](C)(O)c1cccs1)C1CC1 1540098817 JBFXXPFGVLNYJA-JOCHJYFZSA-N 446.523 4.671 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCN1CCCCC1 1540140126 JEFLADWAEYYKDF-UHFFFAOYSA-N 425.577 4.824 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 1540479916 FRNBZJGZSFFXCE-NRFANRHFSA-N 426.488 4.541 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)cc1OC 1542524849 WKZPEGVLIYXDHM-SQFISAMPSA-N 449.528 4.745 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 1542902120 UWFBZIXSYRZGBS-UHFFFAOYSA-N 438.574 4.785 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccncc2)cc1 1543104190 YJUDYHXTNPKENN-OAQYLSRUSA-N 425.529 4.849 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCCC)c(OC)c1 1544133832 GLOXOZMFJCHATC-DOTOQJQBSA-N 440.968 4.697 30 10 IJEE C=C(Br)CN1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1560167855 USMXGMDCZSUELB-IRXDYDNUSA-N 437.378 4.525 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1 1564799140 ZMILQNWXJCCIJI-HXUWFJFHSA-N 445.382 4.537 30 10 IJEE C=CCn1cc(CNC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)nn1 1564958088 GQGUWGIFUYZDMK-INIZCTEOSA-N 429.977 4.522 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@H]4C)[C@@H]3C[C@@H]12 1565537376 RTGZNAKHJPYKJA-QJVSSCAMSA-N 439.596 4.937 30 10 IJEE Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1585739396 BGXGJPJVHZKWKV-CYBMUJFWSA-N 436.712 4.887 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1593712274 XBLGYQLPHBEGHM-HSZRJFAPSA-N 437.632 4.510 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(CCCCCC2)C1 1593717828 KQVDXWBXTVFNOT-UHFFFAOYSA-N 445.995 4.516 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1594545236 RYLRBQJNLQHOCL-ZEQRLZLVSA-N 431.584 4.951 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1oc2ccccc2c1C 1594885690 MBWIVTZVDRGWOK-UHFFFAOYSA-N 440.345 4.771 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)cc(OC)c1OC 1597814592 OUMIRUHVSKVVLR-UHFFFAOYSA-N 425.872 4.920 30 10 IJEE CCN(Cc1cccc(Br)c1)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC 1615295918 CCYZFMYDIWTNIR-QGZVFWFLSA-N 444.373 4.615 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)c1 1622053544 DTCQZCYCIHXGAU-UHFFFAOYSA-N 427.328 4.794 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cc(C)cc(NC(=O)OC(C)(C)C)c2)cc1 1622132958 FTDHBRSPQBSPRA-UHFFFAOYSA-N 430.570 4.939 30 10 IJEE CC(=O)N(C)c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 1622926369 GKTXWSVDWLRHHK-UHFFFAOYSA-N 442.519 4.636 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)[C@H]1CCCO1 1622949490 VMPPYSHNZVZHRM-RBUKOAKNSA-N 446.429 4.652 30 10 IJEE C=CC[C@@H](C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1624692784 UOMPAQSJWMNMLB-HSZRJFAPSA-N 445.529 4.694 30 10 IJEE C#C[C@@H](C)NC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1625828825 YWRYSRNMIMPHRS-WOJBJXKFSA-N 430.548 4.566 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 1629897262 HYFPXEXXHYIFOO-RTBURBONSA-N 449.389 4.640 30 10 IJEE C=CC[C@H](NC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1ccncc1 1631878105 NKMWWIUDSBGWIA-NRFANRHFSA-N 433.531 4.818 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CC)c1ccc(OC)c(OC)c1)c1ccc(Br)cc1 1635130340 FZWMHVDXQAGGFD-QZTJIDSGSA-N 431.330 4.591 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C)c1ccc(Cl)cc1F 1636313311 WRZFBXBPAGKEJZ-WOJBJXKFSA-N 430.907 4.844 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1ccc(F)c(F)c1 1638963041 ZEGJEUFFJGZTAH-GOSISDBHSA-N 437.368 4.922 30 10 IJEE CC[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NCc1cccs1 1639962533 BIXBGCJHXYXOIX-LJQANCHMSA-N 435.574 4.596 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 1642540495 KGXZZBGODQDEQY-IBGZPJMESA-N 426.586 4.608 30 10 IJEE C=C(C)CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)Cc1ccccc1 1642967344 MAWOTZARHZJKFA-UHFFFAOYSA-N 447.501 4.559 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 1646624050 JLTONSBKMLMUGB-DRKIFQHWSA-N 445.541 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN(C)C(C)C 1649539330 LAKADJDPFPYOIF-FQEVSTJZSA-N 432.616 4.541 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)Cc1ccc(OC)cc1 1653193710 UVJDTCXPEPANID-UHFFFAOYSA-N 432.486 4.893 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 1653894971 HASYSSHECBMJIS-DVECYGJZSA-N 435.593 4.873 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@@H]2CCC[C@H]2c2ccccc2)n(Cc2ccco2)c1C 1654691017 BJRQHSAWSALFMJ-LADGPHEKSA-N 430.552 4.825 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)cc1 1658661305 LFARAVGUDVLZRO-ZEQRLZLVSA-N 445.563 4.547 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1665390846 ISIJKADEYKXYNK-BGYRXZFFSA-N 441.597 4.573 30 10 IJEE CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@]1(O)CCCOC1 1667397766 GPXVAMNVNDVPQQ-RDPSFJRHSA-N 441.959 4.685 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 1668963511 PKSZSNYUFHONHZ-UTKZUKDTSA-N 439.353 4.648 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCC[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc21 1674685176 NCAGPVVUNKFZKT-GOSISDBHSA-N 441.576 4.771 30 10 IJEE CC#CCN(C)C(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1675818760 BZBAERYKVKHPCI-IBGZPJMESA-N 436.408 4.819 30 10 IJEE C[C@@H](C#N)CNC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1681272595 CNPZVUVRRMRPHX-SGTLLEGYSA-N 438.728 4.984 30 10 IJEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1CCCc2ccccc21 1683152090 FGYAENRZHIZNQC-RUZDIDTESA-N 429.564 4.535 30 10 IJEE C#C[C@@H](NC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1)c1ccc(Cl)cc1F 1683516751 IFSVPCNEECHTFX-HSZRJFAPSA-N 439.962 4.851 30 10 IJEE C#C[C@@H]1CCCN(C(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1 1684770169 ARUSGYCAZGBYQX-HUUCEWRRSA-N 432.387 4.997 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCC[C@@H](C)C1 1689831518 MESXKIAWPABNHJ-DHIUTWEWSA-N 433.644 4.718 30 10 IJEE C=C(Br)Cn1c(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)nnc1C(C)(C)C 1690233263 BAVYWHYWXBVZAV-LJQANCHMSA-N 446.437 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690243316 JJFBLKRWCJNHBG-GHTZIAJQSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1690246240 SVNAIWLMWOCQGT-VXNXHJTFSA-N 438.616 4.785 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)(C)C)CC1 1690279457 KJDUFROCDIZRBX-UHFFFAOYSA-N 432.410 4.513 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1690416995 ABHSAZOECWNITG-WLRLJWMZSA-N 443.636 4.887 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690472911 YTZZUUXRPOVXCH-ROUUACIJSA-N 440.979 4.765 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCSC1)C1CC1 1690539476 AXQXVCIDUCDIPX-OAHLLOKOSA-N 433.419 4.924 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCO1 1690609070 BKGYBRXDFWSMSQ-LJQANCHMSA-N 442.510 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(CC)CCCC2)C1 1690711793 ILCMNXDJKMUXLD-OAQYLSRUSA-N 428.552 4.748 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1690736534 IARYTHYBVRGLAQ-UHFFFAOYSA-N 427.643 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](CC)c1ccccc1 1705480581 TUECPLSIVMKMPB-IRXDYDNUSA-N 440.389 4.698 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705517779 DZZOKYGZTSSERT-UHFFFAOYSA-N 436.991 4.672 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1OCC(F)(F)F 1705607427 CRAOGKOTYWXWJH-UHFFFAOYSA-N 432.446 4.604 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C)c1 1705664772 AQUBUHBUZWFJPE-NHCUHLMSSA-N 426.630 4.508 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(COC)CC1 1705748942 GDENAYFRYBXFCP-UHFFFAOYSA-N 442.947 4.732 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCN(CCC)CC2)CC1 1705772171 LGGQYBCBGHVAQE-UHFFFAOYSA-N 444.023 4.789 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnc(C)s2)CC1 1705776389 FGQSNNIJCVQJDE-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ncc(Cl)n1C 1705815376 UKRJICHRTNRCDQ-UHFFFAOYSA-N 449.784 4.697 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@](C)(O)C1CCCCC1 1705878349 YZVSDRNJWTVCET-MHZLTWQESA-N 445.611 4.907 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1708062262 FFYAOKVRFPZXGF-MSOLQXFVSA-N 429.012 4.847 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)C[C@H](C2CC2)O1 1708233994 FNADFDOEHGGZMY-PGRDOPGGSA-N 437.588 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nnc(CC)s1 1722276552 DWQDAUQIZSIDEB-LBPRGKRZSA-N 443.001 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1oc(CCC)nc1C 1722279392 SKMDWZBUQYBZLO-DOTOQJQBSA-N 441.963 4.827 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCCCSC 1722283992 YLVKHVGMXNLZCF-CYBMUJFWSA-N 427.437 4.760 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1722313177 QSECIYVXRKRBSP-DNQXCXABSA-N 429.568 4.748 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](SCC)C1 1722317377 SWNSSBMLXHJKED-KNQAVFIVSA-N 440.613 4.706 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@@H](C(C)C)C1 1722321087 VDZXYLGJOOLZMA-JOCHJYFZSA-N 426.630 4.855 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1coc(-c2cccs2)n1 1722413806 JWTKTFMWRJMTBZ-UHFFFAOYSA-N 437.956 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCSCC(C)C 1722466013 IZUUWLFHHQZNHL-XMMPIXPASA-N 439.629 4.529 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1cc(F)ccc1SC 1722475127 VVTDIPXTGLDJLB-JOCHJYFZSA-N 426.586 4.832 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc(F)cc1F)C1CC1 1722508989 NBHFCVXHGYJBMG-WZONZLPQSA-N 430.543 4.905 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCCO1 1722528034 FBHJLUUDKPJZPC-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1722569582 GCADFCLITXWYNP-XMMPIXPASA-N 445.007 4.998 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1722619329 ZBAZMDLAQVMNAH-UHFFFAOYSA-N 429.540 4.501 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722619513 FOOCGTDPHZHCDE-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(Cl)s1)C1CC1 1722646190 KAPFWPVOTHSBSD-UHFFFAOYSA-N 430.961 4.880 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1oc(CC)nc1C)C1CC1 1722647565 WDHAQPYNMWUEQC-INIZCTEOSA-N 425.508 4.619 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CCSC(F)(F)F 1722659167 QYHPIGPWZBUGRW-UHFFFAOYSA-N 433.503 4.710 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1scnc1C 1722664954 DKSWKUXRDDTEAI-UHFFFAOYSA-N 430.581 4.988 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](c1ccc(F)cc1)N(C)C 1722674720 GMFNHOZYQDWSPJ-JOCHJYFZSA-N 439.579 4.846 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(O)C1CCCCC1 1722676559 DGKLUSBBIBLTES-RCZVLFRGSA-N 442.604 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C)cc(OC)c1 1740540635 LFHZATMDCICNHK-CQSZACIVSA-N 445.386 4.592 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)Cc1cccs1 1740543455 PJYOYJPQTFNCHO-ZWKOTPCHSA-N 438.597 4.751 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@@H](COC)C1 1740572747 VKBVSKQVAMXTQA-GOSISDBHSA-N 445.405 4.764 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1OC 1740633796 SVWQLPVKTZNWEE-SFHVURJKSA-N 444.604 4.570 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCCCCC2)nc1 1740666984 LTJFDRCJYYMCHA-UHFFFAOYSA-N 449.002 4.882 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC[C@@H]1CC 1740732702 NGKQGEKSNXWQCI-WIOPSUGQSA-N 440.035 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cc(C)on1 1740757501 VULDQBPTWCSIAN-UZLBHIALSA-N 427.936 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccn1 1740764135 USUNFJGFDBUSRI-LAUBAEHRSA-N 444.004 4.596 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(CC)Cc2ccc(OC)cc2OC)nnc1C(C)(C)C 1740767532 PLKWYVDPLYWCLC-DENIHFKCSA-N 442.604 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CCCNc1ccc(C(F)(F)F)cn1 1740772686 ZXDNERWTRNAQGA-UHFFFAOYSA-N 433.482 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1740848727 QFPDQAWSAUKOQE-LJQANCHMSA-N 429.653 4.915 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1740907209 RDNINCXFKARINK-UHFFFAOYSA-N 434.853 4.610 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCO[C@@H]1CCCC[C@@H]1C 1740918687 SFILMUWIJRIHSB-QPTUXGOLSA-N 438.616 4.960 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC1(N(C)C)CCCCC1 1740935353 KMRVRINDOGAQQR-UHFFFAOYSA-N 444.627 4.840 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC(OC(C)C)CC1 1740968917 HRRLOCSOQQUNKC-HSZRJFAPSA-N 440.588 4.527 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1745249157 GQNITXGVWIAENW-PTLVVNQVSA-N 439.604 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1ncc(C)s1 1748639561 JHWJJUKECRYXNH-ZOBUZTSGSA-N 427.549 4.584 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](N2CCCC2)C1 1748738388 ALGPBTSALQSHHC-SFHVURJKSA-N 432.399 4.730 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1749023366 SNIWMHBAFYWMDJ-APWZRJJASA-N 445.430 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCC1CCN(CC)CC1 1749073417 OFJOEQVNWRUBTP-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(=C)CC1 1749239430 JSSWYBXKTITNFV-UHFFFAOYSA-N 437.371 4.913 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1749298862 VLNQWVCATPFFRF-QFIPXVFZSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1749331374 ZBSVDAFZZUYHCO-WFXMLNOXSA-N 442.526 4.626 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCc1nccs1 1749415351 NDPUGOSUGJUHRC-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1749421663 YLRXYHJIHQSLEQ-HXUWFJFHSA-N 427.911 4.677 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1749531517 IZMDAHIDHUXTSH-KRWDZBQOSA-N 432.597 4.534 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1749689316 HDBXSKZRPASULH-NFBKMPQASA-N 431.584 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CCN(CC)CC1 1760124163 GHYHMPJYDXBNCY-GOSISDBHSA-N 446.064 4.804 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](COC)C1 1760129864 BCVKKWHFDPGANM-UXHICEINSA-N 445.007 4.965 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@H](F)C1 1760211513 JAMQPTDGMILMNU-CTNGQTDRSA-N 447.583 4.978 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1760286098 BPABDRIHKGUKSL-UHFFFAOYSA-N 439.025 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCC(C)CC1 1760298301 CAEJQTOUCNMGNX-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N(C)CC1CCCC1 1760311889 DDZNLHGJWULAEV-UHFFFAOYSA-N 449.393 4.791 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)OC1CCCC1 1760319358 RZPZYDPMPBQEPP-IIBYNOLFSA-N 446.979 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1ccsc1 1760329384 XWCTZWGTRPOZTB-UHFFFAOYSA-N 444.004 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CCCCC1 1760338759 RSCWUBPFXQBXOY-UHFFFAOYSA-N 444.627 4.701 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(CN2CCCCCC2)CC1 1760356324 LBXFZWZEIBKTIW-UHFFFAOYSA-N 429.653 4.621 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)[C@@H]1C)c1ccccc1 1760362302 GQYUYHCEGFOZJM-HOCLYGCPSA-N 426.362 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](c2cccnc2)C(C)C)CC1 1760383858 AXQKAQVODJPDDP-DEOSSOPVSA-N 447.583 4.954 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1760401391 IGXSOWCMDLPORW-SFHVURJKSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1760403055 DWCFXZGMHLPYNI-INIZCTEOSA-N 441.576 4.643 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1760429168 UKCRPBLZLJCJNO-JOCHJYFZSA-N 435.616 4.856 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(F)(F)F)c1 1760454554 NSNCHJRJNFUEEY-UHFFFAOYSA-N 440.267 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)NC(C)C 1760485643 LHJAXMUUQBEHHN-UHFFFAOYSA-N 449.624 4.527 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)c1nccs1 1760490834 KZZUBVCGRSIZHG-QGZVFWFLSA-N 431.569 4.774 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)Cc2cccs2)C1 1760538281 XNTRATMRHAIFES-RXVVDRJESA-N 433.581 4.538 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CC#N 1760973576 ABIAJVNUWHWWDT-NOXFTYBFSA-N 432.572 4.683 30 10 IJEE CCCCc1ccc(C[C@@H]2SC(=NN=Cc3ccc(OCC)c(OC)c3)NC2=O)cc1 1772742584 ZANRXSLGHSXGDW-QFIPXVFZSA-N 439.581 4.601 30 10 IJEE COc1ccc(CCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 1859656904 IFUSGDSFWYHPBN-UHFFFAOYSA-N 439.519 4.879 30 10 IJEE Cc1nc(-c2ccccc2)cc(N2CCN(c3nccc(-c4ccccc4)c3C#N)CC2)n1 1859824107 WQNHXNXKNBMXDL-UHFFFAOYSA-N 432.531 4.712 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862417679 XDRFDOWITAGHSW-LJQANCHMSA-N 435.854 4.623 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc([N+](=O)[O-])c1 1862460563 MUVWGYCKZXNABS-IBGZPJMESA-N 448.397 4.637 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862596497 UQOZOGZKIUJSGX-QFIPXVFZSA-N 444.512 4.756 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 1862626031 SHTYXVLJUVLAFN-KEQGGVEFSA-N 437.467 4.711 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862661793 CWUNWNUUSDCRRT-XMMPIXPASA-N 442.515 4.992 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C)cc1 1862673031 ASPBARXZMKDRKH-QFIPXVFZSA-N 425.500 4.919 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862695399 DSTKKLSHXCEKOQ-DEOSSOPVSA-N 448.563 4.846 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCn2ccnc2)=C(c2ccc(C)c(C)c2)C1=O 1863607932 OSKTWHQNGZEKPK-UHFFFAOYSA-N 436.600 4.620 30 10 IJEE C=CCN1C(=O)C(NC23CC4CC(CC(C4)C2)C3)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632813 BIFXMLYXFZSFAE-UHFFFAOYSA-N 431.363 4.818 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868268752 VOBCPVXCXXGYFV-NRFANRHFSA-N 441.535 4.823 30 10 IJEE Cc1nc(Nc2ccccc2C#N)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868490241 BABJHVNPNOKNBN-UHFFFAOYSA-N 446.986 4.809 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870159880 UPGQLPCPFNMVBN-STQMWFEESA-N 432.698 4.841 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1C[C@H]1CCCO1 1870380480 JJOUQSSMCTYYMU-XMMPIXPASA-N 436.596 4.706 30 10 IJEE C=CCOc1cn(CCCN(C)C)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870811161 LXPVYWLIGFLMKY-UHFFFAOYSA-N 433.552 4.769 30 10 IJEE Cc1c(OC(=O)c2cnccn2)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871369832 HANDULBONUPNOC-NVMNQCDNSA-N 427.243 4.927 30 10 IJEE CCCC[C@H](Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O)C(=O)O 1871423175 NYYFMNBEPFDQAD-DUQUIBLKSA-N 426.465 4.651 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cc(C)ccc3OC)ccc2C1=O 1871428732 PYUYMTXIULFOPL-CFRMEGHHSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871777035 QJEUOTADTWEIBS-REWPJTCUSA-N 428.598 4.924 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCC)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871897775 BJWZLOVRPBAUSK-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCC)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871906237 WQNBWZZTAZYMFR-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCCC 1872292090 FLLCSXMCECCGCS-QHCPKHFHSA-N 449.661 4.648 30 10 IJEE COc1cccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCCO)c1 1874234277 ZVOPUOXUDCMNJE-NLRVBDNBSA-N 446.576 4.582 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874292255 UDUCLHWBWHVBMN-DHRITJCHSA-N 433.537 4.897 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cc(OC)ccc1OC 1874329385 MUIQEHVIBVRCMF-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1-c1ccccc1 1874426783 AHLSYKCKVICQNE-AFUMVMLFSA-N 432.480 4.957 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)NC1CCCCC1 1874439766 RBCNOGSLTPIRHY-LPYMAVHISA-N 433.647 4.660 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)OCC(C)C)nnc1C1CCCC1 1874457325 LFLJCSRTQKIZHD-ZVHZXABRSA-N 442.585 4.674 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874494022 AZTLEGZXFSKMDY-VULFUBBASA-N 444.564 4.948 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NCc2ccco2)c(C)c1C 1874586681 ZETLWJXYSOILGG-ZRDIBKRKSA-N 449.503 4.505 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 1874617784 TYCVUNNKSALBKP-CSKARUKUSA-N 441.480 4.838 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)cc1OC 1875098609 FZBOCXSGCUEDCN-GXDHUFHOSA-N 432.472 4.974 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cnccn1 1875142740 RLEOYALBRATRMQ-RMKNXTFCSA-N 432.451 4.777 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNc2cc(Br)c(C#N)cc2F)C1(C)C 1885859397 PPILDKXCHLYWEW-BLLLJJGKSA-N 426.330 4.811 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(-c4ccccc4C)nn3C)ccc21 1890778556 ARSJUJUUVRBIGW-UHFFFAOYSA-N 444.535 4.585 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Cc2ccc(Cl)c(I)c2)C1 1900396465 QNDADXJHLRRPFH-KRWDZBQOSA-N 446.716 4.638 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(O)CCC(CNC(=O)OC(C)(C)C)CC1 1922057056 HTKVOLIEYJSMRW-NHXWLTBQSA-N 446.632 4.574 30 10 IJEE N#Cc1ccc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)o1 1952878863 MGMVCDXYPNEHEP-NZQKXSOJSA-N 428.444 4.548 30 10 IJEE CC1(C)C[C@@H](CNc2cc(Br)c(C#N)cc2F)N(C(=O)OC(C)(C)C)C1 1965609587 LQKSLOGNYLTCGO-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Br)ccc1Br 1982455067 FHPWECZWAZFDBV-LSDHHAIUSA-N 449.183 4.584 30 10 IJEE C#CC[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CC1 1987989906 UZHUUINTOJYFMN-ATANMQQVSA-N 444.575 4.858 30 10 IJEE C#CC[C@H](C[C@@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2020095665 ZVZXDPCEAQMKLN-GDKQOWJMSA-N 428.617 4.903 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(F)c2)C2CCC2)c(I)c1/C=N/O 2079088796 JMJLNZVNOGEOHN-LYUVJKPTSA-N 441.288 4.695 30 10 IJEE CC(C)(C)OC(=O)c1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1N 2079163590 OBFCVVYOSPYGRN-UHFFFAOYSA-N 427.320 4.646 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNc1cc(Br)cc(F)c1C#N 2107449911 MMIYGFAZHMILJB-LLVKDONJSA-N 434.256 4.516 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 2145528917 NQUBJHCPYUMUHL-IAGOWNOFSA-N 441.414 4.574 30 10 IJEE CCCC#C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2213311992 XSBADUUWLHRCOB-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE C[C@@H]1CC[C@@](O)(C(=O)C#Cc2ccccc2Br)[C@@H](OCc2ccccc2)C1 2235730612 VVABCDFWFLNFTM-MQNAVGNWSA-N 427.338 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@H](N)C#Cc1ccccc1Br 2235733877 PCAAUQZHEATMRJ-MOPGFXCFSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@H](O)C#Cc2ccccc2Br)C1 2235740198 NFCCUGHJSMPATH-PKOBYXMFSA-N 434.374 4.589 30 10 IJEE C#Cc1cccc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 2243904575 DGQHLRGHASSJJL-UHFFFAOYSA-N 438.527 4.603 30 10 IJEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccccc1OCc1ccccc1 2282664953 JSENGRCLYRNPTO-UHFFFAOYSA-N 446.356 4.639 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@H](N)C#Cc2cccc(Br)c2)C1 2296282884 AKDLOBRLLAHKAY-IEBWSBKVSA-N 435.406 4.801 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2296291025 KDHURNKWMKXJTD-RTBURBONSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2296308163 DSEPVRGPCRNZSU-UYAOXDASSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296310166 FXTAIJIQZQGRHJ-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2305320326 UAKNMBOACXBREB-DRPBJASRSA-N 428.573 4.601 30 10 IJEE O=C(O)c1cccc(N=C2SC(=Cc3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)c1 2314548763 WKJSTIQLFHGMOS-UHFFFAOYSA-N 444.468 4.922 30 10 IJEE O=C1CCCC2=C1[C@H](C=Cc1ccccc1)N1NC(SCc3ccccc3F)=NC1=N2 2314815608 RYTAPMBKDZDEDP-FQEVSTJZSA-N 432.524 4.694 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2COc2ccc(C)cc2C)cc1OCC 2322052013 GGNQCGBJQYXOJV-UHFFFAOYSA-N 440.569 4.832 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(F)cc2)cc1 2322457387 SOXWYLFHLVKRBC-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2324339239 NZPCYNMZELKKLI-KRWDZBQOSA-N 435.461 4.625 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)o1 2325306908 MBAQRNVAFBIVTN-INIZCTEOSA-N 428.444 4.790 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1ccccc1F 2326832659 XGWIRNNVEIHSSB-UHFFFAOYSA-N 426.517 4.945 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1OC 2328961764 GEPNXHBYAPDZIC-UHFFFAOYSA-N 436.581 4.858 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1N=Cc1ccc(OCC)c(OC)c1 2329674088 UILWMJGQERMYKZ-UHFFFAOYSA-N 430.599 4.916 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(N(C)C)cc1 2330647868 CHWXYLMTHMZHIH-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330961370 GVYYIEXYDMJVLD-SFHVURJKSA-N 443.916 4.866 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)[C@@H]2CCCO2)c(OC)c1 2331351318 JCKZCYAWEBPECF-FQEVSTJZSA-N 430.884 4.646 30 10 IJEE CCCSc1nnc(C(C)(C)C)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331402286 KMBSYAOUSCSGJS-UHFFFAOYSA-N 441.395 4.827 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cccc(OCC)c1 2331639576 WQKSWYXGNFVQAY-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccccn1 2331727130 FWAFNTOQZZLHPQ-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1 2332197317 RWKUDCRXITZEAZ-UHFFFAOYSA-N 435.487 4.678 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585549 QLNZYXRUHMHRNN-LJQANCHMSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339593829 LFPHUFXUWXGRSP-LJQANCHMSA-N 444.381 4.798 30 10 IJEE CC[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839382 TXVVXXTVTBLXOG-MZBJOSPHSA-N 448.460 4.937 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364786078 KOYLFVXJWAMOIO-OALUTQOASA-N 433.390 4.568 30 10 IJEE COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C#N)cc4)cc3n2)cc1 3629340 WERISERAUQMURL-UHFFFAOYSA-N 437.381 4.548 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1 21241182 OWWJPCXNYRJOKC-CTNGQTDRSA-N 449.547 4.885 30 10 IJEE COc1cccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3onc(C)c32)c1 28052627 DAKXMZMCUOTINR-BXKMTCNYSA-N 446.503 4.967 30 10 IJEE C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nnc1[C@H]1COc2ccccc2O1 31613047 OJJYUEBJKWBODZ-LJQANCHMSA-N 447.520 4.627 30 10 IJEE COc1cccc(/C=C2/Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c1OC 37857942 XOZKXHAGKWSRFU-SRZZPIQSSA-N 435.501 4.734 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(Br)cc1 39898629 AWXDQGFEVZVTHG-LJQANCHMSA-N 444.716 4.929 30 10 IJEE CCCCCCOc1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NC)C2=O)cc1 59446421 JWNABZFVEKROSX-OAQYLSRUSA-N 439.581 4.918 30 10 IJEE CCN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 59446609 FEMWJONGCJAUCS-INIZCTEOSA-N 440.327 4.795 30 10 IJEE COc1ccc(Nc2nc(SC)nc(-c3ccc(OC)c(OC)c3)c2C#N)c(OC)c1 62039781 WRTPORKWQJHPPN-UHFFFAOYSA-N 438.509 4.515 30 10 IJEE COCCc1nc2sc3c(c2c(=O)n1Cc1cccc(C#N)c1)CC[C@H](C(C)(C)C)C3 96528066 ZYUMEZUQRDLUCQ-SFHVURJKSA-N 435.593 4.718 30 10 IJEE COc1cc(/C=N\n2c(SC)nnc2C(C)C)cc([N+](=O)[O-])c1OCc1ccccc1 169915738 HLXKDJPPNASZOO-UUYOSTAYSA-N 441.513 4.501 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 170059181 SCWVOHFPOUSJMU-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(N(C)C)cc1 170129450 NXTBSAXLZZBENE-HSZRJFAPSA-N 436.552 4.838 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1 170155590 UCAXQGQNRAEUKG-IBGZPJMESA-N 427.428 4.818 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)cc1 170176287 MIVRWPJOIMSJCC-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)ccc1Cl 170198062 WMEQNZNIYVXLQE-LJQANCHMSA-N 440.908 4.584 30 10 IJEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)cc1Cl 170212059 QHOMKOSCARFEHB-GOSISDBHSA-N 447.318 4.918 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c1 170241659 JCTFATYVFMYLNX-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)c1 170259261 RWYXBCYKPNYQMP-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@@H]2c2ccco2)cc1 170284488 KKPDWUANYKXYGW-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cn(C)c3ccccc23)c1 170393992 VHDRNTNLTQDXPK-XMMPIXPASA-N 438.483 4.970 30 10 IJEE Cc1c(Br)ccc2c(B3OC(C)(C)C(C)(C)O3)cn(C(=O)OC(C)(C)C)c12 199596381 MMPDTNZFHQRJMY-UHFFFAOYSA-N 436.155 4.795 30 10 IJEE C[C@H]1CCC[N@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@H]3C)cc2)cc1 253712558 VZVYOTUPBUMWMH-SADWXVNCSA-N 434.624 4.977 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@@H](CCOC)C1 460393936 LGWUCOBRXXDXKI-IBGZPJMESA-N 428.577 4.572 30 10 IJEE C[C@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488827956 BGLJHKZIPOWTTQ-QMMMGPOBSA-N 436.971 4.993 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508476400 CZAHZQMTBFUJNZ-DLBZAZTESA-N 427.549 4.892 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(OCC(C)C)CC1 508884827 KBMWDASSFNJSPK-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526800478 QZPJQLHMXZMEPU-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc(C(=O)OC)cc2)c1 526827807 JCXLVTUQMABRIQ-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC2(CCO2)CC1 555237564 FCPCJXLVCDCMSR-UHFFFAOYSA-N 448.542 4.999 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nccs2)C1 558996376 CHORKRKSGBBXOI-CRAIPNDOSA-N 445.976 4.682 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC[C@@H](CCOC)C1 565273853 NKSQYBBEHJCOHM-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 585852614 PLBSATIYTZKSJG-PIYBKPHJSA-N 447.362 4.525 30 10 IJEE CC(C)CN(C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)c1ccc(C#N)cc1 608936112 QISLDLVCAOMBPB-UHFFFAOYSA-N 432.568 4.511 30 10 IJEE C[C@]1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCN1C(=O)c1ccccc1 609724249 MNUHFCNBOVFTOS-AREMUKBSSA-N 425.488 4.984 30 10 IJEE CCCc1ccc(-c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2)cc1 609791439 ABCRSEVBKSQOHX-UHFFFAOYSA-N 432.545 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 684783147 UDHQQHZFUYJSNH-WFASDCNBSA-N 447.379 4.621 30 10 IJEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698895946 AHIQLHFSBBJWPP-HSZRJFAPSA-N 441.553 4.790 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 735348299 ZPULDSXQEKLESA-UHFFFAOYSA-N 435.789 4.804 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 741395899 PQPKNTJKPVCGNG-IBGZPJMESA-N 443.429 4.894 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 812351815 ANJINZJVEAUXNO-ZJOUEHCJSA-N 448.872 4.759 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 1125629584 ALVGLOQSOKALNA-UHFFFAOYSA-N 444.434 4.929 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)C[C@H](c2ccccc2)C1 1129815539 BWOXKSJARILCIW-CGTJXYLNSA-N 427.342 4.788 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C)c3ccc(Br)cc32)cc1OC 1135010143 RSLUEZKLUGQXMH-POHAHGRESA-N 443.341 4.519 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 1136372637 HDMOUGYQADUIPD-DEOSSOPVSA-N 439.487 4.947 30 10 IJEE N#CCc1ccccc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 1146747960 FZFMZYGPERSSPC-UHFFFAOYSA-N 428.467 4.734 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2c(Br)c(F)ccc2[nH]1 1147578176 IBCRZIZAYKFLCG-DNVCBOLYSA-N 426.289 4.981 30 10 IJEE Cc1oc(NC(=O)CN2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)c(C#N)c1C 1194940814 ARPFNFQASVPSLZ-VWLOTQADSA-N 448.611 4.863 30 10 IJEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)[C@@H]1CCCc2ccccc21 1200277227 SIZIGTBJJNUATM-HSZRJFAPSA-N 438.593 4.945 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 1203016585 FHVDYIFYICDBFF-MRXNPFEDSA-N 432.343 4.728 30 10 IJEE C#CC[C@H]1CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)C1 1220767541 GOHPCCQDZOFABS-PGRDOPGGSA-N 439.650 4.624 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 1224522147 KBAYBYNMLAROKH-RTBURBONSA-N 431.458 4.817 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1261212542 DHYFGBVVUOQXMJ-PKOBYXMFSA-N 445.560 4.622 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 1265133509 OVWKHRMMFCETPR-UHFFFAOYSA-N 427.595 4.781 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC/C=C\c2ccc(Br)cc2)cc1OC 1273800230 VKTRDHXZQGSIPP-UVJMCMIKSA-N 428.326 4.865 30 10 IJEE Cc1cc(NC(=O)COc2ccc(C#N)cc2)c(C(=O)N[C@H](C)c2ccccc2)cc1F 1274507424 FDDDVDKTICMJDT-QGZVFWFLSA-N 431.467 4.514 30 10 IJEE Cc1c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)nnn1-c1cccc(Cl)c1 1276765759 BGUJNGQESMEJRR-ZDUSSCGKSA-N 447.848 4.802 30 10 IJEE C=CCn1c(SCC(=O)Oc2ccc(F)c(OC)c2)nnc1-c1ccc(Cl)cc1 1278130108 GJAFUTRVZLQAKP-UHFFFAOYSA-N 433.892 4.630 30 10 IJEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 1280389365 AYUXLQOAYXELIQ-HSZRJFAPSA-N 445.906 4.626 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCCc1ccccn1 1286558335 NPBGQFRJHRBZHG-JYFHCDHNSA-N 445.611 4.623 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC(C)C)C(=O)C1 1286584693 SFABEMOMJFOYAY-UHFFFAOYSA-N 444.004 4.694 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1286603565 GPLRYDKMOQZHMQ-INIZCTEOSA-N 441.938 4.849 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)C(F)(F)F)CC1 1286655441 PVLVGKFLHHRAJP-UHFFFAOYSA-N 438.494 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2Cc2ccccc2)nnc1[C@@]1(OCC)CCOC1 1286677080 XNZJULMRDYZZDN-BKMJKUGQSA-N 438.616 4.744 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1OCCC1(C)C 1286681642 QEQABTOIINBRHG-QFIPXVFZSA-N 440.588 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286720963 MSRBKEBFXVFCDL-WIYYLYMNSA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cc(C)cc(OC)c1 1286748150 QUWQOVIHFXIPPV-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(C)CCCO1 1286763824 VKWLUSZFSRJSII-HSZRJFAPSA-N 426.948 4.996 30 10 IJEE C=CC1(CC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)CN(C(=O)OC(C)(C)C)C1 1297122679 QBOIXQLZECVKFS-QGZVFWFLSA-N 426.479 4.918 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1300317086 JORNBTZODNTIEZ-RXVVDRJESA-N 445.007 4.525 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCSC 1300375988 DNEYJODDQDLQDK-OALUTQOASA-N 449.665 4.731 30 10 IJEE C#CCCCn1c(C2CCC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1300407687 BRTVADSQYPEGNX-UHFFFAOYSA-N 435.572 4.869 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccnc(SCC)c1 1300441508 QBFFAHIZFUAOMC-INIZCTEOSA-N 437.638 4.756 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CCC)CC1 1300656491 HZDMHQCWZQTEEU-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCCCCO 1300788688 IUKGZWWLXAYXGH-HHHXNRCGSA-N 445.611 4.897 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)OC 1300790727 VQWBAKQDAOLAIL-RUZDIDTESA-N 434.540 4.534 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1301072123 DEVLTNVAKPKSEC-JOCHJYFZSA-N 438.576 4.520 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1301072128 DEVLTNVAKPKSEC-QFIPXVFZSA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301160431 QRQGNTBBQJPKCJ-OAQYLSRUSA-N 448.615 4.885 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@H](C)Cc2ccccc2)c1 1301204184 JNRKXPIUTZFPBV-JOCHJYFZSA-N 445.584 4.757 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1301212587 YLUZBONMAXRRFH-UHFFFAOYSA-N 439.604 4.961 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1301238892 HADANFKJVCBPKI-GOSISDBHSA-N 439.604 4.612 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCSC1 1301339143 HUINLAMKQPGTRW-QFIPXVFZSA-N 444.608 4.856 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)Oc1ccccc1 1301363752 ZRMSDEKOZSKBNM-VQTJNVASSA-N 438.597 4.894 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC2CCC(C)CC2)CC1 1301458129 DZFGTDVGYIUFIM-UHFFFAOYSA-N 430.543 4.897 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2ccccc2OC)CC1 1302887069 ZTWUOWRJQJTSRW-IEBWSBKVSA-N 436.980 4.827 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)c1ccco1 1303063323 DLLPXZWLPVTCQF-QHCPKHFHSA-N 441.963 4.865 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(C)cc1Cl 1309139617 SLUPEOFUUXJRAP-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)C1 1310007079 ZAEYNBZWFMIMKF-GOSISDBHSA-N 435.524 4.613 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1321716592 CWJWGSYGKKIVCH-GOSISDBHSA-N 439.972 4.916 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@](C)(O)c1ccccc1 1358877347 CCGIJBIWAFJREX-LZJCXSABSA-N 448.636 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccc(C)cc1 1358877392 DAYYLZVCRPTNFH-MOPGFXCFSA-N 434.609 4.977 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1(c2ccccn2)CCC1 1358899035 FUMLVYLYBJCOLY-LJQANCHMSA-N 447.608 4.554 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C2CC(C(C)(C)C)C2)c1 1358902684 WLVIWFNTGQLHRR-VTLFHKLASA-N 449.599 4.573 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@@H](C)C1 1358939513 XYWXPZVGRWJSQH-FHWLQOOXSA-N 430.980 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](OC)[C@@H](C)CC 1358971515 YMOGUESJXGDDDF-WMZOPIPTSA-N 441.000 4.947 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1359051589 CKNJRSFMRHOYHR-PXNSSMCTSA-N 433.021 4.606 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1359162154 FYNRNUDONBDARZ-TZIWHRDSSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN(C)CC(F)(F)F)CC1 1359166167 IMAVJCNYJLCKIL-UHFFFAOYSA-N 441.929 4.563 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1359188977 XZBHPDSASBKIJO-UHFFFAOYSA-N 441.595 4.618 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359190204 IGDGAXIRKSFCGZ-UWJYYQICSA-N 434.415 4.886 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC=C(Br)C1 1359203200 KGPDGMFACFINIJ-LJQANCHMSA-N 445.361 4.636 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CCN(C)CC(F)(F)F 1359262276 NPFYQGORCIRSGX-UHFFFAOYSA-N 435.519 4.693 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1CCc1ccncc1 1359926764 AXDOMBBQENMAOE-UHFFFAOYSA-N 439.567 4.897 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1Cc1ccc(-n2cccn2)cc1 1359929403 FHOOECVQDPKFDZ-HSZRJFAPSA-N 447.587 4.520 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)CCCN1C(=O)OC(C)(C)C 1435115154 BZYXTFGGEPFQQC-VWLOTQADSA-N 435.524 4.914 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc(OC)c1OC 1436113245 XRQPDAQNTRSTMZ-QGZVFWFLSA-N 435.351 4.748 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCCc1ccc(OC)cc1OC 1436641557 TXBVVPUFXXWNHH-UHFFFAOYSA-N 434.330 4.993 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Cc2sc(SC3CCCC3)nc2C)cc1 1440894876 ZDDIQFKUEYCXDV-UHFFFAOYSA-N 430.599 4.975 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)C1 1452999062 MHCQPDKBFMCURC-QGZVFWFLSA-N 432.973 4.878 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCCc2cc(OC)c(OC)cc21 1455223384 GNGAIEJDSLUFBM-OAQYLSRUSA-N 447.535 4.652 30 10 IJEE Cc1cccc(COc2ccc(CNC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)cc2)c1 1458910727 DWUKTVJKHCIJHG-UHFFFAOYSA-N 436.515 4.870 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1 1459026238 XRSBYZBQSPVOMF-UHFFFAOYSA-N 436.554 4.743 30 10 IJEE C=CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)Cc1ccccc1F 1459347619 MTMQLRQFTKNCLV-INIZCTEOSA-N 444.572 4.815 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)c1ccc(Br)cc1 1460784854 KBOBDNLZKDUYTN-LJQANCHMSA-N 428.717 4.701 30 10 IJEE C#C[C@H](NC(=O)c1cc(F)cc(Br)c1F)c1ccc(Br)cc1 1460785176 LFPIKJRNZZVZEI-AWEZNQCLSA-N 429.058 4.594 30 10 IJEE C#C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)nc1)c1ccc(Br)cc1 1460789146 RRIKZBKVTGFVKR-SFHVURJKSA-N 426.701 4.664 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(SC)cc2)c1 1462722798 LGDPVARWRBXDPU-UHFFFAOYSA-N 440.542 4.972 30 10 IJEE CN(C)CCOc1ccccc1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 1464510618 HNORTGZFDARBTP-UHFFFAOYSA-N 431.561 4.580 30 10 IJEE C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1465222938 ATTKZFKFCLQJOI-HOTGVXAUSA-N 439.516 4.559 30 10 IJEE Cc1cc(C)cc(Oc2ccc(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)c1 1465342919 HKZWTAPWZWRGFG-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccc(I)cc1 1470074650 NURBOJIVWIQKKP-RHSMWYFYSA-N 425.310 4.505 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1473467397 XXTGTHAZRCKLMZ-NRFANRHFSA-N 432.515 4.639 30 10 IJEE CC(C)c1ccc2c(c1)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)CCC2 1475163719 HJPFLKHGOWCOGW-FQEVSTJZSA-N 433.371 4.800 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1)c1ccc(Br)cc1 1476501899 DABXKLVNYYYELJ-FQEVSTJZSA-N 442.357 4.734 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1 1477042388 FZODOCVQPQYTLD-LJQANCHMSA-N 431.005 4.906 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1478552440 DTXGNCZZAPCLBK-HNAYVOBHSA-N 435.446 4.673 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1478806211 PHEIVLMUQLEEPZ-GOTSBHOMSA-N 441.616 4.995 30 10 IJEE CO[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(C#N)CC1)c1ccc(Cl)cc1 1504004708 HIPWWXXBMCDMLW-NRFANRHFSA-N 427.980 4.792 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCC[C@H]1CCCCO1 1504094860 CVEDRDINIPDXRR-FUHWJXTLSA-N 431.968 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(F)(F)F)cs1 1507521770 BTJXGJUEGZFKCT-GFCCVEGCSA-N 431.443 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC1CCN(Cc2cccs2)CC1 1507535880 JFFZWXUBMJECHY-NRFANRHFSA-N 447.652 4.609 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)c1ncc(C)s1 1507619208 YPFZKPFJMDTBDS-GOSISDBHSA-N 437.613 4.927 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1csc(CC)n1 1507663359 ABCIBFVYQHKGMF-UHFFFAOYSA-N 445.636 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(c2cccc(F)c2)CC1 1507813342 YEFDIYBMLDVIFY-VWLOTQADSA-N 442.579 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C 1507821556 AFUNBZDCYQUNDH-OYRHEFFESA-N 439.604 4.808 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1)c1ccccc1 1507851142 GJEUFBMVXZKTIR-UHFFFAOYSA-N 430.600 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1507911340 JQNCNJMVYXVSFG-SJORKVTESA-N 430.618 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cscn1 1507913655 XXUIPRQLHIHRAS-UHFFFAOYSA-N 433.585 4.826 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN2CCOCC2)CC1 1507925196 ATSGJVTVGRURPG-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC)Oc1ccccc1F 1507970981 OCSFKJXGBBZWFR-OAHLLOKOSA-N 448.340 4.655 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1ccncc1Cl)C1CC1 1507987424 BOMPNABSWQTRRI-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCCc1nnc(C)s1 1508005722 ZTSKVJQIDULNHR-FQEVSTJZSA-N 438.601 4.505 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC1(O)CCCCC1 1508012014 RDPGZTGBBOPRPW-UHFFFAOYSA-N 437.407 4.643 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC1CC1)C1CCCCC1 1508042867 ZASLHQMFUPHLCK-UHFFFAOYSA-N 427.980 4.597 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCOCC2(CCC2)C1 1508152937 UZOJEMKDRATFOV-OAQYLSRUSA-N 426.630 4.746 30 10 IJEE CCc1ccc(Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@](C)(C#N)C2)s1 1513663385 BOZOTHGJUKFWNA-XMMPIXPASA-N 435.597 4.680 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(-n2nnnc2C)cc1F)c1ccc(C(F)(F)F)cc1 1519590595 WFXCUHRLLLFQTF-IBGZPJMESA-N 433.409 4.566 30 10 IJEE C=CC[C@]1(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CCCN1C(=O)OC(C)(C)C 1521070236 JPFXXLXLNWGEAW-JOCHJYFZSA-N 446.548 4.552 30 10 IJEE C#CC[C@]1(C(=O)NC2CCC(c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1521612726 WAKYGYNERJQCQI-BPOAOHNVSA-N 428.548 4.761 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)c1ccc(C(F)(F)F)cc1 1526560044 FLOXNHAZTHPMLF-AZUAARDMSA-N 439.522 4.907 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3[S@](=O)C(F)(F)F)cn2)c1 1533324418 DTJXUCRHZOINPS-PMERELPUSA-N 431.395 4.625 30 10 IJEE CC(C)(CNC(=O)COc1ccc(C#N)c(Br)c1)c1ccc(F)cc1Cl 1538110215 DIODDWRHMHKFEJ-UHFFFAOYSA-N 439.712 4.586 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC12CCC(CC1)C2 1538983902 YTVLZXSEZIBDIV-KKWNJKKUSA-N 443.389 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1csc(C(C)(C)C)n1 1538993698 PTBVQZATTPKGGP-KRWDZBQOSA-N 444.608 4.948 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(CC#N)CC1 1539102172 CCOJXOXRZCAKFU-UHFFFAOYSA-N 429.524 4.661 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1sc(C)nc1C 1539304721 FJCFKFQZVGJZFV-UHFFFAOYSA-N 449.649 4.860 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)C(C)C 1539625117 ZGMAKRDPVSBATD-NFBKMPQASA-N 442.604 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(CC)CCOCC1 1539659464 YEAKDDBGWYLPKB-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1Cc1cccnc1OCC(F)(F)F 1539660068 RCUJVTOZCSBDJB-UHFFFAOYSA-N 431.462 4.732 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1OCCC1(C)C 1539677444 CLTQLMUDAUVIAR-HXUWFJFHSA-N 430.618 4.797 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1539701953 USVFHADIGCREKV-JOCHJYFZSA-N 439.535 4.959 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1539816927 HVNLQPNBUNIDLL-UHFFFAOYSA-N 439.869 4.650 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ncccc2C)CC1 1539835204 AJVLEWUAKODQTH-UHFFFAOYSA-N 438.373 4.924 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C 1539902688 MARISAPFBDIAPV-SFHVURJKSA-N 440.567 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1539909985 RUEDIHVUIKYHRZ-UZUQRXQVSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1539917884 HEZIMXDORYVNCD-UHFFFAOYSA-N 430.543 4.914 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2ccccc2)CC1 1539917901 HKLIYGDYHQUQFA-UHFFFAOYSA-N 444.627 4.963 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1539960480 BLWOZAHHXFFEAW-RTBURBONSA-N 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C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1CCc2ccccc21 1705836530 WIOGZFXDZGYPHO-INIZCTEOSA-N 426.362 4.778 30 10 IJEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(Cc1cccs1)C(C)C 1705889725 ZXALGUGNFICIAF-UHFFFAOYSA-N 448.596 4.728 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1705945593 NVUYXOBYTNEOCF-IEBWSBKVSA-N 449.665 4.594 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1 1706952042 AASGMVLLXZMGRA-ZWKOTPCHSA-N 433.478 4.726 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H]1CCCOC1 1722327827 OHRJDBRENQYMMG-IBGZPJMESA-N 435.597 4.653 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1csc(C)c1 1722376962 KAMSRKAXQTYOHU-UHFFFAOYSA-N 432.593 4.861 30 10 IJEE C=C(Br)Cn1c(N2CCC3(CC2)C(F)(F)C32CCC2)nnc1C(C)(C)C 1722490193 XZFXGXIEVVRUDO-UHFFFAOYSA-N 429.353 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(C)CCCS1 1722498062 MVTRPEAIVKGITG-YADHBBJMSA-N 431.005 4.788 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1Cc1ccnc(SCC)c1 1722498122 PNYAGBUAZJINQO-RUZDIDTESA-N 447.608 4.713 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C(C)(C)C)C1 1722531842 YWAYBMIEIVHXCZ-HXUWFJFHSA-N 434.588 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2nc(C)cc2C)CC1 1722560768 IAVWTPJRGGILGW-UHFFFAOYSA-N 442.514 4.607 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCNC(=O)OC(C)(C)C)CC1 1722565105 VQXRMJIZKWMUFT-OAQYLSRUSA-N 439.604 4.891 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1722582995 NYLUCQRYADBQSI-OAQYLSRUSA-N 439.623 4.923 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1722601710 KWVDDZAGTNXQAO-NRFANRHFSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 1722606202 HNKOBUULKSAEMJ-UHFFFAOYSA-N 448.590 4.670 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1ncc(C)s1)C1CC1 1722653563 HZEMRUHXHQTGCK-ATZDWAIDSA-N 429.634 4.920 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H]1C)C(C)C 1722664755 HBMFXQOPAPLADP-PQNGQFLHSA-N 432.616 4.750 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(C)nn(C)c1C 1722668395 PSBZZFWDQKNLJJ-UHFFFAOYSA-N 431.371 4.829 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1727682601 DFXMCERQVFLFFZ-ZRCGQRJVSA-N 434.632 4.952 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1)C1CCCCC1 1729350613 CRVSGYXGDHXMCR-UHFFFAOYSA-N 435.601 4.783 30 10 IJEE CO[C@](C)(Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)CC#N)C1CC1 1729820272 HSLAKFGWOGZVEZ-IQGLISFBSA-N 439.604 4.708 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1740568576 ZMGPTXMNQQBRJU-ICSRJNTNSA-N 443.389 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1740724490 DNPHFNCTXCDOBB-DKYNXLSCSA-N 438.547 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1ccc(F)cc1 1740768807 OFGQGLCXOFIUCU-DVECYGJZSA-N 430.568 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1C 1740771779 DDSWKWWFLCYNCQ-RTBURBONSA-N 434.588 4.514 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740780210 LJVBMEHYCVSRQQ-PMACEKPBSA-N 435.572 4.612 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cccnc2OCC)CC1 1740825204 UWRCFPOKMVUVBW-GOSISDBHSA-N 437.519 4.556 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740872977 CZPZBHMAIAYMTR-LJQANCHMSA-N 448.615 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC=CCO1 1740922572 LZVRFPAOLPYHJS-KRWDZBQOSA-N 427.961 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCCC1 1740922917 XALVRQKWKYGRMV-FQEVSTJZSA-N 446.624 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)c1nc(C)cs1 1740923494 NDJCDGBQQGSYEJ-WBVHZDCISA-N 429.615 4.605 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCSC1 1748829205 YENRHEIBZQMEEX-LJQANCHMSA-N 447.633 4.593 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1749110757 VHZWELABMVECGU-INIZCTEOSA-N 449.393 4.789 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)c1nccs1 1749471921 VSLSLFRYEBNUIY-GFCCVEGCSA-N 436.354 4.729 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)c1nccs1)C1CC1 1749508460 RKYBVWHUKKOHMS-JKSUJKDBSA-N 427.549 4.972 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1749586441 VOBKMKVMGZGPHE-OYRHEFFESA-N 427.637 4.986 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CC[C@@H](CN3CCCCC3)C2)nnc1C(C)(C)C 1749689634 MAGAKLYLYCTZLV-NRFANRHFSA-N 437.632 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1cccs1 1760104075 RNRNTGBBCRWKGT-HJPURHCSSA-N 440.638 4.703 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1760164707 YKMQYYWAVCGGPA-XJUOHMSHSA-N 438.616 4.946 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ncc(CC)s1 1760228665 NRYZFZYHLIZXLB-HNNXBMFYSA-N 425.627 4.658 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760273610 AAXQOIMIBYAFPK-CVEARBPZSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](CCC)OC 1760289083 HBCAQWIZDBASJK-IIBYNOLFSA-N 449.368 4.654 30 10 IJEE C=C(Br)Cn1c(N2CCS[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1760313674 DCLDYKXWQFALFV-INIZCTEOSA-N 433.419 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)C1CCC1 1760317734 JXINUXIDWYSUOT-CVDCTZTESA-N 440.588 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccccc2F)C1 1760329404 BDVRCNGKEUQKCL-RLSLOFABSA-N 442.579 4.979 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCC2(OC)CCC2)CC1 1760382596 URENJPSEEPYASD-FQEVSTJZSA-N 440.588 4.932 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1CSC)c1ccccc1 1760419876 DYBZHSFSUQMPMI-GOTSBHOMSA-N 433.625 4.956 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCSC1)c1ccccc1 1760420260 LSVOSPIBCNLGCP-CTNGQTDRSA-N 439.654 4.935 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCC1(COC)CCCC1 1760459475 UOXVIUCMQCTXSU-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCN(C)C1CCCCC1 1760481742 GNMNMCMIOZQCOQ-UHFFFAOYSA-N 430.600 4.797 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)cc1C 1760499521 ANWJELRGYLDPPB-UHFFFAOYSA-N 444.583 4.534 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](COC(C)C)C1 1760506295 CNROUVRRROOFSS-OAHLLOKOSA-N 432.977 4.629 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1760513792 DIDYWJWBIZQXLJ-STZQEDGTSA-N 426.605 4.706 30 10 IJEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 1770312054 CVSUQGTZXPWVIB-SLYNCCJLSA-N 425.577 4.533 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12 1858241884 JQSGTIULTHYQEI-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c1 1860594209 ONEDRQBPWIVRLR-FNORWQNLSA-N 428.319 4.756 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Br)cc2)cc1OCC 1860728770 LAEWRJSHGOVHDY-VZUCSPMQSA-N 432.314 4.858 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 1860729404 HCNPOVRKAZDHLB-XBXARRHUSA-N 427.806 4.987 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1cccc(O)c1 1862457536 RJPDKXHDNNQERA-CECALHEMSA-N 445.437 4.967 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2c(F)cccc2Cl)cc1 1862480898 QYLRHRHHSQSNEA-NRFANRHFSA-N 436.870 4.961 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Br)cc2)cc1 1862487909 LYENUQJROSCCMS-LJQANCHMSA-N 428.326 4.992 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)c1 1862498349 GHTJFUWOLWVLIV-XMMPIXPASA-N 432.564 4.920 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862554534 FJNVHJUIJPJQKV-DEOSSOPVSA-N 426.516 4.973 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2)cc1OC 1862575887 HVFPQUHGQYIBLM-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(F)cccc1Cl 1862630850 COKHBXAOUBMCQI-FQEVSTJZSA-N 445.874 4.832 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CC)cc1 1862634583 OUGYWESZXQSEFL-QFIPXVFZSA-N 437.492 4.583 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(=O)O)cc2)c1 1862678376 MSDAFLVZJVCBAI-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1C(=O)O 1862702059 STPXRVQMEPIOIG-OAQYLSRUSA-N 437.492 4.552 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)c1 1862930233 CNMGTWSCIRGAJF-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1cccc(Cl)c1 1864115532 YMMHRILUXXOYRK-IBGZPJMESA-N 448.954 4.610 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1c2c(nc3ccc(F)cc13)CCCC2 1866280298 MDSSTBIFZNBKIG-UHFFFAOYSA-N 443.457 4.916 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC2CCCCC2)cn1CCCCCC 1870575800 ZVAMHPXKGYZLMB-UHFFFAOYSA-N 444.616 4.857 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CCc1ccccc1 1870621357 KHISIXGKWYOGBY-UHFFFAOYSA-N 432.539 4.983 30 10 IJEE C=CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870810456 DDJRDMYKJQOPSV-INIZCTEOSA-N 442.865 4.876 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(OCC)cc1 1870872389 CPMPROFYONBGNU-UHFFFAOYSA-N 444.572 4.771 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870908489 CGSMVBIOMTYEMD-UHFFFAOYSA-N 447.535 4.720 30 10 IJEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871054644 LAEDDEUKQJTQCZ-UHFFFAOYSA-N 440.927 4.896 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)C1 1871355670 FZYIMFANOUIHJO-OYKKKHCWSA-N 445.563 4.597 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 1871386746 LAHYWTBPTQSSSL-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4C)ccc3C2=O)c1 1871418900 TWIXHZTYKATEMQ-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871441370 BDFPLKSJGFBRSK-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cccs1 1872056743 SEQCQQUCZFTLRX-LJQANCHMSA-N 438.590 4.816 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)C1CC1 1872163789 DNQZWBLWQQHSQH-QFIPXVFZSA-N 436.618 4.733 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872217460 ORGUWEICTPINJZ-MHECFPHRSA-N 440.609 4.995 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)C(C)C)S(=O)(=O)CCCC 1872286156 LQVYEQQKYJHSQO-HSZRJFAPSA-N 449.661 4.504 30 10 IJEE N#C[C@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)cs1 1872776584 SKITVNFVVIGHNP-QGZVFWFLSA-N 436.468 4.948 30 10 IJEE CCc1sc([C@@H](C#N)C(=O)CN(C)Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 1872800779 VOPGDMNAYATTQX-IBGZPJMESA-N 449.576 4.698 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCCc3ccc(C)cc3)cc2[nH]1 1872807092 ALFAQOGTPVETRF-UHFFFAOYSA-N 441.531 4.988 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(=O)OC)cc1 1874267918 WJMPLGHPORIFAB-YDZHTSKRSA-N 444.944 4.681 30 10 IJEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1cccc(Br)c1 1874403453 AZCNUFAUHYPYCE-PXLXIMEGSA-N 427.371 4.986 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(OC)c2)o1 1874427807 BNLMQEYLIVFHOU-ZVHZXABRSA-N 448.504 4.508 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc[nH]1 1874427862 FRCZRVZMANQURA-AFUMVMLFSA-N 430.537 4.503 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(C)cc2)o1 1874482209 ZPRNABONBWXZCA-YDZHTSKRSA-N 426.542 4.828 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874511273 RGPBNWRIHHEOQM-GCMSVZMUSA-N 441.988 4.736 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C(C)C)cc1 1874515742 NUBVMZWGKJISLG-YDZHTSKRSA-N 432.590 4.754 30 10 IJEE COc1cccc(CCc2nnc(S)n2/N=C/c2ccccc2OCc2ccccc2)c1 1874563976 HVXQLELHOCUWPN-YZSQISJMSA-N 444.560 4.822 30 10 IJEE C[C@H](NC(=O)COc1ccccc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1874570440 YWBYSUIDHSOEHV-JJJPLKNQSA-N 430.460 4.747 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OCC 1874609406 PLOQUPBILDQSEX-IZZDOVSWSA-N 431.916 4.548 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)cc1 1874693892 BHVCPRJJRCIOEP-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)c1 1875136312 JBHGEZJDCZMCJA-UKTHLTGXSA-N 432.472 4.893 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OC)c2)c(OC)c1 1875177496 AQFIOLLIHDXICK-UKTHLTGXSA-N 448.471 4.593 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912150327 RPDRTKWXXZGFNA-FCHUYYIVSA-N 448.568 4.997 30 10 IJEE N#Cc1cnc(Nc2cc(Br)ccc2I)c(Cl)c1 1917230866 OJAWIAZLWAYKHP-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@]1(O)CCc2cc(NC(=O)OC(C)(C)C)ccc21 1922058256 VLISHCQPTANRIQ-JYFHCDHNSA-N 438.568 4.528 30 10 IJEE C=C(COCc1ccccc1)[C@H](CC[C@@]1(NC(=O)OC(C)(C)C)CCOC1)NCCC 1922094952 PQOMGCFLELSEQR-WIOPSUGQSA-N 432.605 4.592 30 10 IJEE Cc1cc(NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)c(C#N)cc1[N+](=O)[O-] 1963037063 RIGUBUQNCIRMDO-UHFFFAOYSA-N 426.473 4.556 30 10 IJEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CC1 1984782940 PWTSJDTVXGWGCY-SIBVEZHUSA-N 444.575 4.954 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2047968384 RBTIZMZSPYRHBM-SJORKVTESA-N 429.786 4.540 30 10 IJEE NC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1Cl 2080047614 HFKXGXIQPCJCFG-NSHDSACASA-N 429.723 4.812 30 10 IJEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1c1ccc(C#N)c(Br)c1F 2118199023 NLNRREBAYTVILZ-STQMWFEESA-N 426.330 4.589 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 2159128822 WLKUCNPLSNBZBR-OALUTQOASA-N 441.385 4.806 30 10 IJEE C[C@H]1CCCN(c2cc(Br)c(C#N)cc2F)[C@H]1CCNC(=O)OC(C)(C)C 2174765957 RXFKWIFKKNDRKK-GUYCJALGSA-N 440.357 4.980 30 10 IJEE CC1(C)CC([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181115959 YMLSZWVWNNZPAR-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Br)c(C#N)c2)C1 2203262402 QJVOLXNRMYJBGH-ZFWWWQNUSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)C(F)(F)C1 2264418056 HYDNDRKJVXJKLE-CQSZACIVSA-N 434.256 4.516 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cccc(Cl)c2Br)CC1 2283202786 UFSUVSJWFUXKDQ-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2O)cc1Cn1cc([N+](=O)[O-])cn1 2295819989 BLGDIMAHJZCUQW-UHFFFAOYSA-N 429.432 4.603 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc3ccccc23)cc1 2296079804 WWWCYSAVEZMJJF-OAQYLSRUSA-N 441.512 4.934 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2296219868 SDXFTVPFBCNSPL-WOJBJXKFSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(N)C#Cc1cccc(Br)c1 2296283255 DRKQQUVFMIMENZ-JTSKRJEESA-N 433.390 4.603 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](N)C#Cc1cccc(Br)c1 2296285700 CXVIOCMBUBXDNH-SLFFLAALSA-N 435.406 4.657 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1(N(C)C(=O)OC(C)(C)C)CCC1 2296311340 VYRNAGBQBKAXMW-IBGZPJMESA-N 435.406 4.958 30 10 IJEE C=CCC(CC=C)[C@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2301015082 KSIWXUTXQGBFNK-OZXSUGGESA-N 427.633 4.902 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3c(OC)cccc3OC)ccc2C1=O 2314437978 CSCMOUPEKXHTAT-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nnc(C)s1 2314543635 JDJWVBGJIWJMTQ-UHFFFAOYSA-N 441.494 4.639 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCC)cc2)SC1=Nc1ccc(C(=O)O)c(O)c1 2314926539 LJMUILDKCUKQBK-UHFFFAOYSA-N 438.505 4.669 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317350201 OVYFPYZRIUXWJE-UCMOUWFMSA-N 429.370 4.584 30 10 IJEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353612 IVUKCKCQLKCHAH-KRWDZBQOSA-N 432.370 4.751 30 10 IJEE CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cc(Br)ccc1OC)C3=O 2322046634 KOBREENFJAZDQE-UHFFFAOYSA-N 444.325 4.944 30 10 IJEE CCCOc1c(C=Nn2c(S)nnc2CCCOc2ccc(C)cc2)cccc1OC 2322166873 JYXOTDAEQDJMPA-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE Cc1cc(OCc2nnc(S)n2N=Cc2ccc(Br)cc2)ccc1Cl 2322211012 FFKCZHLLNACEKT-UHFFFAOYSA-N 437.750 4.752 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)NN=Cc2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 2323417300 UTXACMWNUKYHTN-UHFFFAOYSA-N 445.368 4.880 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323423004 URYNOFAQALQFJP-UHFFFAOYSA-N 443.411 4.838 30 10 IJEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1[N+](=O)[O-] 2323852016 HCIWOURNBQJXLA-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c1 2324035399 TVGISTJEWKLTDW-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC 2325648505 QPXBRGPPVNSXKK-UHFFFAOYSA-N 447.915 4.766 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(SCCO)n1N=Cc1cccc(Cl)c1 2326417728 GXEOSKZMSVMNKR-UHFFFAOYSA-N 444.988 4.527 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1 2327734865 ZUENUHFCSWHPRB-UHFFFAOYSA-N 443.576 4.523 30 10 IJEE C=CCN(Cc1ccccc1)C1(C(=O)O)CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327905425 LVGORQDYRIOJHR-GUXMJAIHSA-N 442.600 4.945 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1cccs1 2327997929 QIEFYXGMHHOBQE-UHFFFAOYSA-N 449.001 4.706 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccncc1 2328670239 BTEZHCWHARFLJP-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE Oc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1F 2329193222 HOJYYSNYZUNXJR-UHFFFAOYSA-N 448.523 4.919 30 10 IJEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2330122009 JIFRIBQAIAWTDZ-HNNXBMFYSA-N 426.542 4.537 30 10 IJEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1CCCO1 2330990076 FBOBZTXHEAXIJK-IBGZPJMESA-N 428.945 4.966 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1cccc(F)c1 2331450473 NOFMIVQGISOVID-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C2CCC2)cc1 2331493548 UYVCZPBRRPZPLB-UHFFFAOYSA-N 437.544 4.860 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574459 IGRBLHHYFFJKLB-WKWPXIAWSA-N 444.381 4.798 30 10 IJEE CC[C@H]1[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339579645 YXNYEVGGILTJPK-OEDVWLICSA-N 444.381 4.893 30 10 IJEE C[C@H]1C[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339589466 XUVAYWMKFMWHRU-PKOBYXMFSA-N 443.397 4.784 30 10 IJEE C=CC[C@H](Oc1nc2ccccc2nc1Br)[C@@H]1CCN1C(=O)OC(C)(C)C 2381314578 HNXYFEGUZVYNIR-HOTGVXAUSA-N 434.334 4.725 30 10 IJEE CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)NC[C@H]1CCCO1 22690765 INVHFYAXSXNAIB-MRXNPFEDSA-O 438.400 4.551 30 10 IJEE Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCc3cccc(C#N)c3)nnc12 24967322 RZMREKAPSJJGCN-UHFFFAOYSA-N 437.528 4.814 30 10 IJEE C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 31424798 RQXFIFSIGRFXOD-CXTJOTAOSA-N 446.672 4.899 30 10 IJEE C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2ccccc2)cc1 37558747 DWLYVGLRYGCEIK-UHFFFAOYSA-N 427.548 4.756 30 10 IJEE C[C@@H](Sc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)c1nnc(C2CCC2)o1 59878460 RFJHLFCXAUKCKE-XTTRTJGBSA-N 448.350 4.517 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)cc1 62993142 FARLGFPPTKKLTG-MYYYXRDXSA-N 441.531 4.896 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2-c2ccco2)ccc1OCc1cccc(Cl)c1 169913471 HZCNDCKGNYTALJ-FMCGGJTJSA-N 440.912 4.950 30 10 IJEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2cccs2)cc1 169921459 VSRKPFNVEKYROU-QHCPKHFHSA-N 433.529 4.854 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCOC(C)C)cc1 169928086 OKSXZTPNVJDGFS-HSZRJFAPSA-N 449.503 4.835 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2)c1 170047328 XKXQNOWKXLEYBX-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2)c(C)c1 170055089 NUFFZZTYQCKJKW-XMMPIXPASA-N 445.490 4.964 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(F)cc2)c1 170063981 JBMNFOVKSLURRR-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2)c1 170064924 MIGOHTSODGSUDP-QFIPXVFZSA-N 425.500 4.836 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccccc1F 170071587 IIBVQMGIBWOKHL-JOCHJYFZSA-N 446.409 4.628 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccco2)c1 170098396 APELHLRQBGQQIA-OAQYLSRUSA-N 443.459 4.646 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)[C@@H]3c3ccco3)[nH]c2cc1C 170099008 IFEIOVAJMXVNMP-QHCPKHFHSA-N 441.487 4.875 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@@H]1c1c[nH]c2ccccc12 170255204 ZVVOJDHMBKKZCJ-QFIPXVFZSA-N 434.492 4.564 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccco1 170288803 CVAOXXZDXPWQQI-OAQYLSRUSA-N 435.863 4.959 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccco2)ccc1Cl 170295371 KJEVFENZIDSBKT-FQEVSTJZSA-N 447.915 4.725 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C)o2)cc1 170300606 QVALTFJKPOKOIT-HSZRJFAPSA-N 445.471 4.705 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(C)o2)c1 170305877 MIIJUVBZUJWQDZ-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccncc1)c1ccccc1 170357326 GHVRLVYALILMIO-XMMPIXPASA-N 439.515 4.855 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170455281 VOHYTYRWKXCHKA-QHCPKHFHSA-N 446.551 4.924 30 10 IJEE Cc1ccc(OCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 170577799 JZSVJEJGBXEFPH-UHFFFAOYSA-N 425.492 4.625 30 10 IJEE N#Cc1ccc(Br)cc1NCc1ncc(Br)cc1Br 232477254 PJLGJPMEJVICKA-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCC 407631371 WUDZWALOXATWNZ-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 505010730 LEQCLFPVHJLJSS-GOSISDBHSA-N 429.586 4.718 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 508724428 RPJLIRVZUHDOIJ-RTWAWAEBSA-N 448.542 4.712 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508847708 LFDZSPFPEWZRFL-SFHVURJKSA-N 439.585 4.687 30 10 IJEE CCOc1c(OC)cc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1OC 526815940 YJOYZNJIIOJFKF-KSEXSDGBSA-N 432.933 4.522 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 549734183 WJXRZGHBZZTWGY-AWEZNQCLSA-N 447.406 4.761 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 568667754 DUAGROSAANXUJB-AVRDEDQJSA-N 449.020 4.574 30 10 IJEE C=CCn1c([C@@H]2COCCO2)nnc1N(Cc1ccc(-c2ccc(F)cc2)s1)C(C)C 580484997 KFFRHVWAINNAOG-FQEVSTJZSA-N 442.560 4.835 30 10 IJEE CCOc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccs2)cc1OCC 586219911 HHWJPBYJQAFQFO-UHFFFAOYSA-N 442.562 4.813 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 586664344 RQWMOKNHLHVQBW-UHFFFAOYSA-N 429.904 4.815 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2)c1 609065108 XCBYHBKBCZYVAK-DEOSSOPVSA-N 441.487 4.507 30 10 IJEE C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 610635905 OLODQCARERSAIF-INIZCTEOSA-N 433.508 4.806 30 10 IJEE CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCc2c(F)cc(Cl)cc2C1 687751419 MSIZMQRODZEWGE-UHFFFAOYSA-N 427.904 4.653 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCCN(C(=O)OC(C)(C)C)C(C)C 698101278 VRCIZEHLYNNLQE-UHFFFAOYSA-N 439.394 4.586 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ncc(Br)s1)NCCC 713689719 OSZOTSDUWAYSKM-UONOGXRCSA-N 432.428 4.676 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1csc(-c2ccc3c(c2)OCO3)n1 726639206 SQTYRLLCEKFWPY-NRFANRHFSA-N 436.489 4.557 30 10 IJEE Cc1noc(C)c1CSc1ncccc1C(=O)OCc1cc(Cl)ccc1OCC#N 735340355 QMLNZNHRUHCSIW-UHFFFAOYSA-N 443.912 4.892 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2C[C@H](C)O[C@H](c3ccccc3)C2)c1=S 764915914 SRFFDQWOFRWGIT-UGKGYDQZSA-N 436.581 4.599 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 769452866 AVVYMXBQNISPEZ-UHFFFAOYSA-N 437.496 4.674 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1)c1ccc(Cl)cc1 810472270 HTUSLUVAELXLHQ-SFHVURJKSA-N 440.286 4.610 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(N3CCCCC3)nc2)no1 904431890 GMIBIINQGCZINU-MRXNPFEDSA-N 433.940 4.830 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1c1ccsc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124682407 HFKCYHQCDVDQSK-ZWKOTPCHSA-N 444.603 4.598 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1124862594 GOGSSBVBOUPXNF-IBGZPJMESA-N 447.457 4.801 30 10 IJEE CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1-c1ccccc1 1126876543 DTAXTHPWBSHJOI-SFHVURJKSA-N 425.554 4.563 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1128003704 WWTWHQIIPYUGKL-XLIONFOSSA-N 449.469 4.662 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1CCCC 1129173522 YHYBXDBUYOYHMY-QAPCUYQASA-N 441.519 4.797 30 10 IJEE N#Cc1ccc(OCC(=O)NCC2(c3cccc(Cl)c3)CCC2)cc1Br 1132382382 GZNAXOHNCNRUOC-UHFFFAOYSA-N 433.733 4.591 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1O[C@H](C)CC(C)C 1137539334 YFXOWCXMKUBBTN-CTNGQTDRSA-N 430.589 4.731 30 10 IJEE C=CCn1c(SCc2ccc(S(=O)(=O)CC)cc2)nnc1-c1cccc(Cl)c1 1165889186 LGRJWOQDLKLRFW-UHFFFAOYSA-N 433.986 4.870 30 10 IJEE CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1C[C@H](OCC)C12CCCC2 1167442730 IFRKKKRSRTUKAI-RTWAWAEBSA-N 429.630 4.887 30 10 IJEE C=CCC[C@@H](NCC(=O)Nc1nnc(CC(C)C)s1)c1ccc(C(F)(F)F)cc1 1168564208 RXUCPMIFSBJKRH-MRXNPFEDSA-N 426.508 4.991 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1cc(OC)ccc1Br 1169252870 MGCWCKOTFVBFJM-OAHLLOKOSA-N 437.403 4.554 30 10 IJEE C#CCN(Cc1ncc(C(F)(F)F)s1)[C@H]1CCOc2ccc(Br)cc21 1180291525 CJACQZGTRBSJLO-ZDUSSCGKSA-N 431.277 4.883 30 10 IJEE COc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2cccc(CC#N)c2)cc1OC 1188644283 GGCVDNWNECZKLU-GCJKJVERSA-N 442.581 4.539 30 10 IJEE C=CCOc1c(Br)cc(CNCc2c(Cl)cccc2OC)cc1OC 1201999672 GRTDZZYYBRVTLP-UHFFFAOYSA-N 426.738 4.974 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Br)c(Cl)cc1C 1208684051 WBADVKUPIAIGJB-UHFFFAOYSA-N 439.762 4.660 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc1 1209969251 PRRRQBDSBYHEPF-UHFFFAOYSA-N 434.399 4.920 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCCN2CC2CCCCC2)cc1 1214911965 JXZLUSVDKUAAJD-XMMPIXPASA-N 438.616 4.667 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1)[C@@H]1CCCc2ccccc21 1222683821 CFIXNUJMGPRABH-HTAPYJJXSA-N 430.508 4.529 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1ccc(Cl)cc1F 1223444740 PZVIQIYMEULTHX-VQTJNVASSA-N 433.980 4.987 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@H](CC)c2ccccc2OCC(=O)N2CCCC2)CCCC1(C)C 1223819507 QDVMBRYPDDVSLA-GGAORHGYSA-N 441.616 4.915 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 1223969087 DLAMAFNTANEZIT-UHFFFAOYSA-N 426.520 4.984 30 10 IJEE C#Cc1ccc(CNC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1 1251230635 PVWXGDQTAMFYCV-UHFFFAOYSA-N 430.379 4.782 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cc1OC 1265664723 QKNOAVYHVYYPCM-YEXOBAQBSA-N 425.428 4.539 30 10 IJEE C=CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)[C@@H](Cc1ccccc1)C(=O)OCC 1269214330 GEBQYDOJSCYRBI-DEOSSOPVSA-N 431.532 4.653 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(CC)cc1 1270243980 PDHYSFQDRSYLDS-XMMPIXPASA-N 432.564 4.593 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCN(CCC)C1 1286274518 KHKCPBGPNSBYON-REWPJTCUSA-N 444.627 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1csc(CC)n1 1286277643 FVCBODPSXTXSSK-HKUYNNGSSA-N 437.613 4.754 30 10 IJEE C#CCCCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1286346026 MWMZSJAYQKAYHA-LJQANCHMSA-N 435.597 4.690 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCCCCC1 1286368728 PRDGQCMYHUWTEE-UHFFFAOYSA-N 437.588 4.758 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccsc1Br 1286436802 WHTJZAUCBJYSNO-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCSC1(C)C 1286455115 BMZNEZBUKOCABJ-HXUWFJFHSA-N 449.599 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)c1ccccc1 1286528561 GMTCAUVVGOMJMO-PIXQIBFHSA-N 436.600 4.577 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(C)o1 1286562528 GTZRTJJGUXJCMA-YKSBVNFPSA-N 436.556 4.685 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286588005 HZZKBIHBLKWTKE-AEFFLSMTSA-N 445.995 4.914 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC(=O)NC(C)C)CC1 1286639035 VVWPRORSZKRZTO-UHFFFAOYSA-N 444.004 4.884 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1286653579 BIWWAWZKRMAIOR-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2sccc2C1)C(C)C 1286751255 OFLTXPFAWZKICD-QFIPXVFZSA-N 448.640 4.663 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1ccncc1 1286752681 DMKGISXXLKKJPQ-UHFFFAOYSA-N 438.373 4.832 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCCC(F)(F)F 1286766301 OMRFHOHITZKWHB-UHFFFAOYSA-N 447.299 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)C)C1 1286812583 MWDRAJXLRMVBEY-MRXNPFEDSA-N 425.360 4.601 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCCCc3ccc(Cl)cc3Cl)ccc2c1=O 1294370767 NUYBKCOQMZSNLY-UHFFFAOYSA-N 448.375 4.541 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1cccnc1)C(C)C)C1CC1 1295249899 HHZMYQPCKMVDMQ-HSZRJFAPSA-N 430.556 4.552 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@H]1C 1300373368 XHRZMOAEDMDFJU-MSOLQXFVSA-N 430.643 4.713 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1300394846 UFKVCUVLYFETFB-JOCHJYFZSA-N 435.616 4.541 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1300422289 JSNRSTYDEYEQQH-VQTJNVASSA-N 430.980 4.564 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1300476151 YHFWKJZDRVJVKK-GDBMZVCRSA-N 426.870 4.874 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(OCCc2ccccc2)CC1 1300871363 BOJFQAVXPOOCHX-ISKFKSNPSA-N 438.616 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CCOCC1 1300905840 FTXDNKJLKUWPDB-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)[C@H](CC)C1 1301142160 WYYMZOKMBCSIMS-LJQANCHMSA-N 446.039 4.748 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@]2(CCOC2)C1 1301176216 SPWBRCCNWFPDPH-NRFANRHFSA-N 449.368 4.820 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1301245187 FTYKVHAFIZBNGD-OAQYLSRUSA-N 442.947 4.671 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)C1CC1 1301346975 MBWVHZDZFYLVBC-SFHVURJKSA-N 436.991 4.669 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1 1301391195 RMCKRMAXPXBJMA-RTWAWAEBSA-N 441.620 4.927 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 1307920841 PCZWIFUYVVPXBM-AWEZNQCLSA-N 436.503 4.678 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2)[C@H]1CCCc2ccccc21 1312135700 REBZECOCASKUOY-MQNAVGNWSA-N 431.536 4.580 30 10 IJEE C#C[C@@H](NC(=O)N(C)CCCOc1ccc(Cl)cc1)c1ccc(Br)cc1 1312936741 KMTLOSSYUPLHKY-LJQANCHMSA-N 435.749 4.887 30 10 IJEE C#CCN(C(=O)N[C@@H](C)C1CCC(F)CC1)[C@H]1CCOc2ccc(Br)cc21 1313083050 LVYANGJEHDBWDJ-QSUGNCRHSA-N 437.353 4.834 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)C 1313542779 GKDNVIFQPUTMED-GOSISDBHSA-N 440.592 4.554 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC3CCN(c4cccc(F)c4)CC3)c2)s1 1339375898 DJOKOMJOVSPBQH-UHFFFAOYSA-N 434.540 4.894 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CCCC2)cc1 1355842935 SAJOCNDLLHRLBV-NRFANRHFSA-N 426.557 4.587 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(Cl)s2)c(C(=O)OCC)c1C 1357816650 IATSYNYTGROFFY-CLFYSBASSA-N 439.942 4.943 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1358969932 AKXUIGNUMYVXNB-HSZRJFAPSA-N 441.579 4.513 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@]1(C)CCCS1 1359016859 NTIMYWACSOFVGA-OFNKIYASSA-N 428.577 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CN3CCCC[C@H]3C)C2)nnc1C(C)(C)C 1359104907 HIDVNEPYMHHLDG-ACESQOTJSA-N 443.680 4.648 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1359120617 MNWPTEXNXUVSHE-VQTJNVASSA-N 448.615 4.534 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1359168589 ATODIVTYLDKWGV-NRFANRHFSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359185116 LPQJUDXFRJUEBE-HNNXBMFYSA-N 449.958 4.617 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cl)c1C 1359195928 UMUAJUFKZZVBPR-UHFFFAOYSA-N 429.996 4.707 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1cnn(C)c1 1359210569 YFWRNMXMRONQGY-UHFFFAOYSA-N 449.784 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1359234373 NEPTXFJBSRECSV-GHTZIAJQSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359254175 HZYBXMANYYSTEG-CEQLMSFQSA-N 435.572 4.678 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1cccs1)N(C)C 1359274592 SXCCDJFSWJHJOU-SFHLNBCPSA-N 443.661 4.740 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCC1(O)CCC1 1359276919 WMEFKCCGUQIDHW-UHFFFAOYSA-N 426.948 4.732 30 10 IJEE CC(=O)N1CC[C@@H](OC(=O)c2cccc(COc3ccccc3C#N)c2)c2ccccc21 1438345500 ZKJXGCCEZFXQGE-RUZDIDTESA-N 426.472 4.792 30 10 IJEE C#CCCOc1ccc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)cc1 1446536338 KUVWWGLIVHCSPM-NDEPHWFRSA-N 425.528 4.565 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@](C)(F)C2)nnc1-c1ccc(Cl)cc1Cl 1450116228 KHUVZKPKRNDQAQ-IBGZPJMESA-N 443.375 4.881 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2CCC3(CC2)CCN(C)CC3)s1 1450233287 YUOWUYPVGFOTAG-UHFFFAOYSA-N 428.067 4.609 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 1455207108 YJNRWSIBVMBYTF-GOSISDBHSA-N 437.565 4.548 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1 1455925207 JOBBPCYADVYWCR-RUZDIDTESA-N 426.516 4.847 30 10 IJEE CSCc1nc2ccccc2n1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1461064412 FUGABQRPRXOKEE-OAHLLOKOSA-N 446.498 4.859 30 10 IJEE Cc1c(S(=O)(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)sc2ccc(C#N)cc12 1463689968 HWOBYHRHCXVPTR-UHFFFAOYSA-N 436.480 4.888 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@H]1CCCO1 1465771461 JYULWRWQDWPNLJ-AZUAARDMSA-N 429.398 4.672 30 10 IJEE COc1ccc([C@H](NC(=O)CNc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 1466396241 FJYWFEJVBYHIOC-HSZRJFAPSA-N 439.437 4.903 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CSc1ncnc2scc(-c3ccccc3)c12 1468477700 HUVKSDLSOLRNBX-SFHVURJKSA-N 437.590 4.977 30 10 IJEE COC[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(Cl)cc1 1476319988 BUDMOXPGADIWNK-MRXNPFEDSA-N 444.322 4.602 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)cs1 1503921654 DFQALWQPPKHKBK-JKSUJKDBSA-N 448.552 4.819 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)(COC)CC1 1507595958 XJKKPKLYGYSZMN-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)SC 1507606873 ADWBMZKFDNKZAB-UHFFFAOYSA-N 427.799 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CCc1ccc(OC)c(Br)c1 1507768347 PNJUYJQAKVGJKX-JOCHJYFZSA-N 443.389 4.552 30 10 IJEE 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GKRJOKUOVSSCMD-UHFFFAOYSA-N 431.458 4.504 30 10 IJEE CC(C)(C)[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(F)cc1F 1670543395 HVCNEDBJKRAUJB-JOCHJYFZSA-N 426.511 4.846 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 1670942144 ULLYRAZZOBNKGL-GMAHTHKFSA-N 443.950 4.927 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 1671957323 YPHQKTJJGBZDAL-UHFFFAOYSA-N 428.533 4.502 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)n1 1672725828 HWKRQLDKZRJICL-QFIPXVFZSA-N 443.576 4.642 30 10 IJEE COc1cccc([C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)OC)c1 1674202103 CBGKDVNOMNXUAV-RUZDIDTESA-N 445.519 4.964 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)c1 1674515073 VPGYMPLEJWAUTD-UHFFFAOYSA-N 449.551 4.916 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccccc1 1675394436 WHAHDGQYZOEQPO-RUZDIDTESA-N 441.531 4.658 30 10 IJEE C=CCC[C@@H](NC(=O)NC1CCC(CS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 1680634218 ZJJJLSLZFPPZCB-XUJQIHCRSA-N 446.535 4.615 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccccc1 1680810312 VVWZKJZNNHETBT-RTBURBONSA-N 437.531 4.885 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1683107455 ZRUQWBOQYKYDJU-RBBKRZOGSA-N 429.605 4.900 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccco1)N1CCCCC1 1689842479 BBRBPVDVYFVUOF-RXVVDRJESA-N 437.975 4.877 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1689920722 IEFWYWHDGNEKJP-KRWDZBQOSA-N 436.478 4.545 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC2CCCCC2)CC1 1689938127 ANIRBABTROYASA-UHFFFAOYSA-N 449.643 4.590 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCSC1 1690053844 JJNJYYYAAWJDJG-OAQYLSRUSA-N 436.625 4.505 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)[C@@H]1C 1690157669 MGMAKTYVIZUZIJ-UFYCRDLUSA-N 444.670 4.732 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC2CCCC2)CC1 1690163497 HHPRRCIZLWSXGF-UHFFFAOYSA-N 445.032 4.893 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CCC)C1 1690163699 NWPPEGSBPDNTNK-MRXNPFEDSA-N 439.412 4.624 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](CCc2ccccc2)C1 1690228869 HOLDDBBNHVJKHA-LJQANCHMSA-N 447.421 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CC1(N2CCCC2)CCOCC1 1690259440 JMZGWGNIEQRQEI-UHFFFAOYSA-N 437.632 4.555 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 1690305788 IBKHVMWRNWIKHT-LJQANCHMSA-N 428.577 4.572 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCc2nnc(C)s2)CC1 1690368751 KXDIWLVDQGSGAO-UHFFFAOYSA-N 444.992 4.556 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccc(Br)n2)CC1 1690377602 JYAUEABKLXOUFE-UHFFFAOYSA-N 438.373 4.540 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1705520899 KFLCSXUDNUNFPC-QHCPKHFHSA-N 446.599 4.624 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCC1(F)F 1705588339 CKCLYSZVBWLZTO-OALUTQOASA-N 444.501 4.846 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1705610537 SONICFJTRDVUBF-FGZHOGPDSA-N 446.643 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1nccn1C(F)F 1705719992 SLOUPLSGTKYFEF-UHFFFAOYSA-N 430.503 4.516 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1705771958 GVNKXMUWUFWYQJ-CVDCTZTESA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705794546 MAEFKWHOFYMCJH-FGZHOGPDSA-N 437.632 4.749 30 10 IJEE C=CC[C@@H](Cn1c(CC2CC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1705797854 FKZKZUXTECIEDG-NRFANRHFSA-N 447.549 4.665 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 1705824629 VOTCPORCCIZFOA-BWWMBTDCSA-N 443.680 4.864 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCCCC2)CC1 1705826148 PQGOYEVKERYAKY-UHFFFAOYSA-N 437.632 4.555 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(SC)CC1)C1CC1 1705851961 UNYYWFHZCKBQPR-UHFFFAOYSA-N 437.382 4.897 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1705945628 OOAOUGPHNLJSMO-UHFFFAOYSA-N 440.657 4.737 30 10 IJEE C[C@](O)(Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1)c1cccs1 1706897397 AZBHHQQPPWSDKY-QFIPXVFZSA-N 441.988 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCC1(C)C 1722303550 PJWUOTZCFDPZEO-QYZOEREBSA-N 429.609 4.634 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1c(C)noc1C 1722379186 GLCFPPYRIIFDIS-GOSISDBHSA-N 429.568 4.724 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC(C)(C)c1cccs1 1722422296 QQKVVKLSSRRXEO-IBGZPJMESA-N 438.572 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(C)C 1722471669 NAVAKDKAIUUBSK-AREMUKBSSA-N 446.599 4.664 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](CC)OC)CC1 1722579315 NMZMSMUINRGFBJ-NRFANRHFSA-N 426.605 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(CCC)CC1 1722586128 UBZKTQLXQRXSDK-UHFFFAOYSA-N 431.028 4.906 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCC)C1 1722623464 FVAKCXYTNBWLQB-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCCC1(C)C 1722633413 SZGHLPIMACIHPY-AREMUKBSSA-N 433.600 4.916 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1cc(F)cc(F)c1 1722677168 VSDICPOYGVUXJQ-IBGZPJMESA-N 442.510 4.521 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCSCC(F)(F)F)C1 1722719012 WSHBRVPJKQRLGY-GOSISDBHSA-N 440.535 4.584 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCC2)c1 1725046596 DNDLHMIAGBRYDC-UHFFFAOYSA-N 434.613 4.698 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1740555933 DKDGKGGNPQFDAZ-PWRODBHTSA-N 438.616 4.818 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1740577911 SSOYNYXSLHWLSF-SANMLTNESA-N 429.568 4.859 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2cccc(F)c2)CC1 1740659727 RHKZZLOFDWYWSG-DHIUTWEWSA-N 448.586 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H](C)CN1CCCCC1 1740733788 QTGWOILGJXGHHM-YIXXDRMTSA-N 433.644 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1740761678 PFDOUEFTJWWBRC-REWPJTCUSA-N 440.588 4.571 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1740804977 HOQCQBOHAGFKQA-RHSMWYFYSA-N 440.922 4.940 30 10 IJEE C=C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(I)cc2)CC1 1740818823 VWCPCMXRXDBVRP-OAHLLOKOSA-N 436.341 4.601 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC(C)C)CC1 1740870286 MHCOHIWIDMERRG-LJQANCHMSA-N 427.662 4.876 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740872139 ZETAFSIRHBIICA-KUHUBIRLSA-N 449.368 4.817 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC1C[C@@H](C)O[C@H](C)C1)C1CC1 1740908016 HNJSUIILVXVMET-HZPDHXFCSA-N 432.515 4.905 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CC(F)(F)CO1 1740927253 BNNRDAQYLPLWJS-QGZVFWFLSA-N 434.556 4.878 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCSc2ccc(C)cc2)C1 1740979128 HIXKYFJDLHNTTM-FQEVSTJZSA-N 435.597 4.531 30 10 IJEE CC(C)(CN1CCCC1)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1741260035 GPFLTHNWMTUCHM-XMMPIXPASA-N 441.023 4.851 30 10 IJEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CCC[C@H]1CC 1744690825 BOHPQIBTDCLSSJ-RTBURBONSA-N 426.996 4.518 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1CSC 1748758982 BETBNHIKXYBREZ-HXUWFJFHSA-N 426.630 4.900 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1749106079 WSRJDKBLTKWNES-UHFFFAOYSA-N 441.295 4.785 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1ccco1 1749209056 KYLOMEKIXLUQPT-ROUUACIJSA-N 427.549 4.861 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1749218300 KVRUDPFPHNLICR-NQIIRXRSSA-N 437.975 4.969 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C)CCOCC2)CC1 1749293224 FXUXWLPGYXRYKT-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1749373269 JYMVYRDJGSTUNN-JOCHJYFZSA-N 436.625 4.981 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1 1749548850 LNJGAGAYSFCUKY-GOSISDBHSA-N 429.634 4.694 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1749548899 NIAGMNBRDSZAHH-UHFFFAOYSA-N 436.928 4.761 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccccc1OCC(F)(F)F 1749570795 BPZXKSARNXMNPD-UHFFFAOYSA-N 429.446 4.508 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2ccccn2)C1 1749700599 LOTTVHOOXMERIL-HSZRJFAPSA-N 431.584 4.662 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(N(CC)CC)CC1 1749752524 SOPIMAYQQQCQPU-UHFFFAOYSA-N 438.645 4.656 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C 1749763699 GOECGDREODEFEU-QRVBRYPASA-N 449.665 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC1CCC(OC)CC1 1760098702 WDSYQAQQTNKKRF-VCAKUFKGSA-N 428.552 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](c1ccco1)N(C)C 1760106470 LFGWIUDRHIOLLN-KSSFIOAISA-N 432.355 4.606 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](CC)C1 1760145235 KNQPGCFQRNMPMV-UYAOXDASSA-N 430.980 4.717 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1760162704 DXCMLJPKNFOEQK-MJGOQNOKSA-N 430.980 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 1760210699 TUFIBQBOBHSFQK-UHFFFAOYSA-N 445.375 4.541 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCS1 1760223662 YGYGJHVHOSTVGJ-KRWDZBQOSA-N 449.407 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC[C@H](C)N(C)Cc1ccccc1 1760292559 DXEJEZAOMWNSIB-WXVAWEFUSA-N 442.611 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1760317134 AYSNZMDJPFPIDX-ICSRJNTNSA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(F)(F)Br 1760330035 QJWWXMZQYZYSHG-CYBMUJFWSA-N 447.299 4.947 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C1CCC1 1760345436 AOPYRQKNTHOUCI-HXUWFJFHSA-N 429.609 4.738 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760351162 BDIZZCJGUJRWQG-DHIUTWEWSA-N 438.616 4.983 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1760352249 SUYCPFJINHSMCG-UHFFFAOYSA-N 425.602 4.521 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760378354 HWZFFZURZVWTSM-PXNSSMCTSA-N 444.988 4.946 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC2CCCC2)CC1 1760381230 DOABXKOWAMTRMK-UHFFFAOYSA-N 442.007 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2OCCC2(C)C)CC1 1760384605 AEHLRGZIPCJLPB-JOCHJYFZSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1760398518 BDRVMRQGTYTSPG-DEOSSOPVSA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCn2ccnc2C)CC1 1760399430 MMUOPRURKCCERC-UHFFFAOYSA-N 448.615 4.978 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOCC2(CCC2)C1 1760424055 UTRTUTUPYRJACG-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1760427414 ZSSLLNZOAKQMCE-HSZRJFAPSA-N 444.627 4.721 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC(C)(C)C 1760444866 SXQXAGINIZCLGG-SFHVURJKSA-N 435.613 4.568 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1760451912 XXXCXCMKENMVME-SFHVURJKSA-N 431.650 4.862 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCCCC1 1760482176 RTSAIKICEOVOFT-UHFFFAOYSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1Cc1ccc(OC(C)C)nc1 1760482434 XHPZUNOCYCNPON-UHFFFAOYSA-N 442.567 4.707 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1C 1760485584 JJLXNLMTOAQVCI-RXVVDRJESA-N 433.581 4.743 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCC1 1760487075 ITRLRDZSTSVYQG-UHFFFAOYSA-N 427.643 4.669 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1760510503 ASTUIZFGYWPTEC-AQNXPRMDSA-N 429.609 4.738 30 10 IJEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)C1 1764995193 GEQGXHXPOVMGAA-OAQYLSRUSA-N 434.632 4.811 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2=CCCCC2)CC1 1772554841 XKIOIFMQWJDQCK-UHFFFAOYSA-N 430.394 4.949 30 10 IJEE N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n(-c3ccc([N+](=O)[O-])cc3)n2)cc1 1859385237 YZDJMHPNYGTDQG-UHFFFAOYSA-N 427.395 4.711 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)Cc3ccc4ncccc4c3)cc(C)c2c1 1859489529 MJLFHHLFKKOYOO-UHFFFAOYSA-N 446.514 4.947 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 1860726630 XMLUNWKCUFKOEE-VZUCSPMQSA-N 431.305 4.800 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860935674 LYXHALVUNIUGFC-OAQYLSRUSA-N 444.595 4.992 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1862432378 CPCBPXBVSCOKMG-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862444043 WRJKGMGPPTVPEC-HXUWFJFHSA-N 439.920 4.928 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1862449137 DDONCAZHKMYESN-OAQYLSRUSA-N 441.911 4.880 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1F 1862502120 RNPCPEJLLRVOQN-JOCHJYFZSA-N 442.506 4.583 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862510507 AMZFYOTZAYUBGQ-BUXKBTBVSA-N 447.890 4.879 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862582825 NIVXZAHZYKPFAO-SFHVURJKSA-N 448.302 4.926 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccccc1F)c1cccc(O)c1 1862590386 HUQSZLSKHXVHLG-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c(O)c1 1862591622 KTQIMYUOJHHTLQ-JOCHJYFZSA-N 439.508 4.742 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc2ccccc12 1862630763 BFVYTLNVBKXNFM-WNSKOXEYSA-N 429.472 4.945 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2Cl)cc1 1862689025 GWMRRWWWRALMOM-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2F)c1 1862700744 NOQCPPSNTJMUPO-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Br)ccc2F)c1 1862709474 XBOMGMDVPITUKU-GOSISDBHSA-N 448.288 4.584 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(C)c(C)c2)C1=O 1863608125 SUZJIXHXSZZGFU-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE CCOc1ccc(CC(=O)Nc2c(Br)cc(C#N)cc2Br)cc1 1865961347 FQIWLYWVARNKPN-UHFFFAOYSA-N 438.119 4.663 30 10 IJEE C[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1866765423 WWONOMXVOPCQAP-INIZCTEOSA-N 433.458 4.502 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CCc3cccc(Cl)c3)CC2)nc(C(C)C)n1 1869087908 DZPLONKGYKPANW-UHFFFAOYSA-N 440.035 4.797 30 10 IJEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN(CCCC)CCCC 1870616877 AVNXWJIKCBWHNJ-UHFFFAOYSA-N 440.584 4.559 30 10 IJEE Cc1cc(O)c(CN(CCO)Cc2ccccc2)c2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871394024 ZEWLXCKBYUFAGG-UCQKPKSFSA-N 449.934 4.965 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872449500 PTIDLKJVLYEAOV-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872550184 ODIJUHUEXWWDRS-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=CCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1873127292 IHNZGKRMNGIDCN-UHFFFAOYSA-N 445.346 4.545 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(Br)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203270 HTPQEPGHKKEZNV-UHFFFAOYSA-N 448.320 4.618 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Br)c2)cc2c(N3CCCCC3)ncnc21 1873669070 MVYMFOGYVSEFIK-UHFFFAOYSA-N 440.345 4.622 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3ccc(OC)cc3)c(=O)oc2c1 1873930554 YTUKWNOMVJFMJU-GOSISDBHSA-N 435.520 4.875 30 10 IJEE COc1cccc(/C=N/n2c(COc3ccc(OC)cc3C(C)(C)C)nnc2SC)c1 1874194068 WJIYYQQHYDAXRA-ZVHZXABRSA-N 440.569 4.776 30 10 IJEE COc1cccc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SC)c1O 1874198314 WFCUGOAUKPMRFY-PCLIKHOPSA-N 448.548 4.761 30 10 IJEE COc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCCO)cc1 1874233847 FFGNZMQNEHSDJA-NLRVBDNBSA-N 446.576 4.582 30 10 IJEE COc1ccc(OCc2nnc(SC)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874290345 KVZPUXAHIHPUKD-ZVHZXABRSA-N 434.521 4.632 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2ccc(OC)cc2)nnc1SCC=C 1874293445 CVTWVTMBUWDGAE-LFVJCYFKSA-N 436.537 4.591 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccccn2)c1 1874310293 OCLXUNGEVPNYRF-JVWAILMASA-N 447.539 4.781 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874318879 NSTDWBDQJQVLAC-UFFVCSGVSA-N 431.905 4.640 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2cccs2)cc1 1874422936 MIAUQVHNRMSTMS-HZHRSRAPSA-N 434.546 4.922 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C(C)(C)C)cc1 1874481354 SXFSQOOSZKVHQR-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE CCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1cccc2ccccc12 1874527185 AVHHNJFRFDDSIV-AFUMVMLFSA-N 440.532 4.817 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC(N)=O 1874615815 RNURMDRPQALYLL-ZZXKWVIFSA-N 428.699 4.806 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccccc1 1874615963 GBORBYFRTNVKEU-SDNWHVSQSA-N 431.488 4.926 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC(=O)OCCC 1874627518 NVXNJABPHTUVHW-JXMROGBWSA-N 430.447 4.930 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CCCSC 1875121104 ZNDMSXSLQRMSPP-RMKNXTFCSA-N 436.476 4.927 30 10 IJEE COc1ccccc1CC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccccc2)cc1OC 1875127458 GEKHGIRECWEYJS-BUHFOSPRSA-N 432.472 4.757 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)c1 1875159150 DWSVOIZMBHGKKN-WUXMJOGZSA-N 436.435 4.723 30 10 IJEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Br 1875175461 QHXGNOSGTYDOCI-VMPITWQZSA-N 447.325 4.530 30 10 IJEE COCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC 1875180230 JAALCQZGEYYKRF-VOTSOKGWSA-N 448.899 4.512 30 10 IJEE CC(C)(C)c1cc(CCC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc(C(C)(C)C)c1 1891382042 AGHGUUAZRFKRSP-QFIPXVFZSA-N 448.611 4.946 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC1CCC1 1901534031 FLGRFYPIJCLRTK-VWLOTQADSA-N 445.563 4.846 30 10 IJEE C#CC[C@@H](CN(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)C1CC1 1902352885 GKIPJYJSLUWUHP-FQEVSTJZSA-N 442.559 4.566 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CNC(=O)OC(C)(C)C)C1CCOCC1 1922124034 DOOANYLLWNKXMJ-RPWUZVMVSA-N 446.632 4.695 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2047967915 NIHVNFXZWHUGKD-SJORKVTESA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2ccc(C#N)c(F)c2)CCN(Cc2ccccc2)CC1 2067207039 IBWANLJXKGKFJK-UHFFFAOYSA-N 438.547 4.669 30 10 IJEE CCOc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1 2080118042 NQIPOBXDWGVYSQ-OAHLLOKOSA-N 445.251 4.941 30 10 IJEE CCOP(=O)(OCC)c1cn(-c2c(F)cccc2C(F)(F)F)nc1C(F)(F)F 2080390259 PKPPXNMDXFTAMD-UHFFFAOYSA-N 434.248 4.940 30 10 IJEE C=CCN(C[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br)C(=O)OC(C)(C)C 2087653182 RSVIXAOPGXSHQV-CQSZACIVSA-N 429.403 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)C(C)(C)C1 2118196951 OOCNKBDZNCWGKJ-CYBMUJFWSA-N 426.330 4.732 30 10 IJEE Cc1c(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)ccc([N+](=O)[O-])c1C#N 2142507112 NJRKTBJQQZKKTR-UHFFFAOYSA-N 442.519 4.658 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC12CCC2 2174811999 FTPQSPCKOHIUGQ-AWEZNQCLSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)C1 2174815404 SSSDUYKIANBKJO-CXAGYDPISA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(Nc2ccc(C#N)c(Br)c2F)C[C@H]2CC[C@H]1C2 2188303273 AHDRGTAXLHZLBV-TVSHIAKJSA-N 438.341 4.955 30 10 IJEE Cc1cnc(Oc2cccc(NC(=O)OC(C)(C)C)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2224116657 DLMTZBMATFTQNF-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2235725814 OIOWJTJELXOXFT-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1(C)CCN(C(=O)OC(C)(C)C)CC1 2235726513 OSRVGDLXBBBHDG-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CCCNC(=O)OCc1ccccc1 2264172760 LGANTSHKSMIJBI-QFIPXVFZSA-N 443.385 4.875 30 10 IJEE CN(Cc1ccc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1)C(=O)OC(C)(C)C 2266707536 DJITUSMQDPOORN-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)ccc2C#N)[C@H](C(F)(F)F)C1 2281042389 RSELLGSDMRDQMO-ZFWWWQNUSA-N 448.283 4.745 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2296218176 BKLZXJJETGLXSH-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CC[C@H](C)C1 2296223566 BGJTZELWMGIDNO-DKZVUGQWSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C#Cc2ccc(Br)cc2)C12CCCC2 2296282467 XFYAHSJJYIPQIC-JOCHJYFZSA-N 434.374 4.875 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(CCF)CCCN1C(=O)OC(C)(C)C 2296305861 ZIVGSHGSVWVVGG-WIYYLYMNSA-N 439.369 4.518 30 10 IJEE C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C=CC)cc2OC)CC1=O 2296474097 QOSYHYFLASJACX-FQEVSTJZSA-N 431.536 4.659 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccco4)[C@H]3c3ccccc3)sc2c1 2297741532 KHYSJJMFLSVBOI-LJQANCHMSA-N 432.457 4.524 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2305323307 UCIXOJUFKNRXPA-CJFMBICVSA-N 428.573 4.603 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1 2324673246 QLQKYFNRKROMHN-SFHVURJKSA-N 427.485 4.968 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1O 2325489065 CBWWUCCGELYNRX-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2325737498 SOLMDJPJJRMQBQ-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC)c(OC(C)C)c1 2326668809 IRZKWAJZSFQNJF-UHFFFAOYSA-N 435.553 4.682 30 10 IJEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(C#N)cc2)c1 2326691203 DBWZTKZJXVHDRK-UHFFFAOYSA-N 439.544 4.924 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(O)c(O)c1 2327086785 VUQNILWRLPGHGJ-UHFFFAOYSA-N 438.553 4.560 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(OCC)cc1 2327498349 DAFCHAMZSRLKHJ-UHFFFAOYSA-N 432.496 4.918 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccc(OC)cc3)nnc2SC)cc1OC 2329244291 QANHJZUKKHPIJC-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE COC(=O)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2330491760 QZJKHZNWNLQJLT-UHFFFAOYSA-N 442.544 4.830 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccc2ccccc12 2330718464 JNZURPWNFZRYSQ-UHFFFAOYSA-N 429.549 4.550 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)ccc1O 2331108836 AYOJZUBHBSLLSB-UHFFFAOYSA-N 436.459 4.884 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)COCCOC 2331225671 LLRLOLJKSBIPFN-UHFFFAOYSA-N 446.927 4.820 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(C)cc1 2331325224 ZEEQVUJQQQGZOF-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE COCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(OC)ccc2ccccc12 2331555170 GDUVECCSIGWBFC-UHFFFAOYSA-N 436.512 4.900 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(F)cc1F 2331709451 VSVRQLVAZPBLCD-OAHLLOKOSA-N 443.523 4.531 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)C=Cc2ccccc2Cl)ccc1Br 2332189033 XMVXNHICDADLJJ-UHFFFAOYSA-N 442.704 4.515 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)CCc1ccc(OC)cc1Br 2339379427 HYNDKTAOTRFASB-ZWKOTPCHSA-N 427.383 4.577 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNc1cc(Br)cnc1C#N 2358976819 AXLIEFYVYMDSQL-JOQOYGCGSA-N 435.366 4.696 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1 2365063221 WLAWVKNBOCONQI-ZJSXRUAMSA-N 447.432 4.718 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(Br)nn1C(C)C 2382020507 ODMLRNMQOCSSHW-CABCVRRESA-N 444.418 4.522 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)(C)C)cc1 35002945 NCAXNALPHVIGOE-MWTRTKDXSA-N 449.547 4.532 30 10 IJEE Cc1cc2oc(C(=O)c3c(C)c(C#N)c(=O)n(CCc4ccccc4)c3O)c(C)c2cc1C 38620183 ZLVNMXLTTDJEHO-UHFFFAOYSA-N 440.499 4.879 30 10 IJEE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1 40825264 ZNGJQQLDTMRDCR-ZXVVBBHZSA-N 448.548 4.876 30 10 IJEE COc1cccc(/C=C2\Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)c1OC 41514606 IHJVZKRXHSLNBB-UCQKPKSFSA-N 445.515 4.966 30 10 IJEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(OC)cc2)C4)cc1 41646713 LCCFHUIFHLLZFX-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1 58949835 DLBCBLOUEIBXIK-QFIPXVFZSA-N 447.531 4.756 30 10 IJEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cc(Cl)ccc2F)CC1 64473738 JHXNZXIUOJEMAG-UHFFFAOYSA-N 426.854 4.893 30 10 IJEE CC(C)COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 110949669 SXPMDMSMFWTWLD-QQYUXEJHSA-N 442.515 4.738 30 10 IJEE COc1cc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 169936714 FUASVKAVFFOHAK-JOCHJYFZSA-N 442.968 4.796 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@@H]2c2cccnc2)c1 170006246 DGQRXSHBMWKQPR-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccco2)cc1 170094978 UBCWQMXSUHXHEH-OAQYLSRUSA-N 448.431 4.758 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1sccc1C 170107365 GWMMLDFNMLNTKU-GOSISDBHSA-N 432.973 4.630 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1OC 170122638 VTLJCXVWROGTKZ-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170223080 CTFSALCCTSQTOO-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)c(OC)c1 170227733 DYMXPVSJJNIUQG-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1F 170249588 JTYFDYGXGHDMBO-HSZRJFAPSA-N 445.446 4.688 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)N(C)CCO3)=C(O)C(=O)N1C1CCCCC1 170275423 JWKVJNBTKIXTAI-XMMPIXPASA-N 446.547 4.735 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)ccc1Cl 170282192 VBIZOOWAALZQRX-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)ccc1Cl 170283559 BEFMRBCQOHBDNO-HXUWFJFHSA-N 439.851 4.820 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1ccccn1 170316461 CDKOJBDMODFUCO-FQEVSTJZSA-N 429.501 4.711 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccn1)c1ccccc1 170350888 UCIPKUGGWBUNMX-LJQANCHMSA-N 440.377 4.763 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccncc1)c1ccccc1 170357328 GHVRLVYALILMIO-DEOSSOPVSA-N 439.515 4.855 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(F)cc2)cc1Cl 170376469 QZQZFJCCRMOHLB-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(F)cc2)ccc1OC 170442210 AQWJXDKWWNVJNX-HSZRJFAPSA-N 441.499 4.744 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(C)c2)cc1 170458947 PIZMFLXNHIQOHF-HSZRJFAPSA-N 435.520 4.683 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccc(OC)c(OC)c3)cc1)C2=O 210089512 ONMMTKABBIVZOS-ZMOGYAJESA-N 446.455 4.938 30 10 IJEE C=CCOc1ccc(C=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OCC 254865115 SVIHJNHGHVWXDS-UHFFFAOYSA-N 437.521 4.597 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)o1 442144097 XSKKGIJMVAEBCK-SUMDDJOVSA-N 425.554 4.921 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Br)cc2)n1Cc1cccs1 461302949 AJGTYXXCGJQSJQ-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 463027480 HBJJFJLRFWTRNI-UHFFFAOYSA-N 440.396 4.789 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(-c3cccnc3)c2)cc1 467171453 KQPXQLDKVXNJLA-UHFFFAOYSA-N 426.520 4.885 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 474512336 DAGLZAMZSXLYSR-OAHLLOKOSA-N 439.447 4.551 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)Cc2ccc(F)cc2Cl)nnc1-c1ccco1 481744957 OPEMELPKFCAARD-UHFFFAOYSA-N 434.924 4.657 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(SCc3ccco3)C2=O)c(C)c1 526668473 WRGCGCPVVUNNCO-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 565273722 HGVOXAHULNOEIS-JOCHJYFZSA-N 434.540 4.710 30 10 IJEE CCc1ccc(-n2c(=S)[nH]c(O)c(C=Nc3cccc(Br)c3)c2=O)cc1 585145557 XRTPDYONAZYECT-UHFFFAOYSA-N 430.327 4.676 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N/[C@@H](C)c1cccs1 733200717 KCFDIHQLDVHMCB-XZZKVDLTSA-N 439.606 4.778 30 10 IJEE C[C@@H](Oc1ccc(F)cc1Br)C(=O)OCc1cc(Cl)ccc1OCC#N 735345941 YYPWMQQLWIAHNU-LLVKDONJSA-N 442.668 4.655 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(C)C)cc1 742213784 OGOABNYUNVYNNL-JOCHJYFZSA-N 449.576 4.848 30 10 IJEE N#C[C@@H](C(=O)CCc1cc2ccccc2nc1O)C(=O)Nc1cc(Cl)cc(Cl)c1 767433252 SNRLJPHIYCGLAJ-KRWDZBQOSA-N 428.275 4.527 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(C)C(=S)N[C@H]1c1ncc(C(F)(F)F)s1 788478638 MSLVPWIZFAYCHM-CYBMUJFWSA-N 431.892 4.677 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCCN1C(=O)OC(C)(C)C 790488193 MFFPQWOJPZFXLC-QHCPKHFHSA-N 447.963 4.751 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 806273631 XUDJLNPURQHIIN-XJFCNFDWSA-N 430.573 4.892 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1ccco1 809922727 VTKWOWUWPCQXHD-QZTJIDSGSA-N 427.549 4.513 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 811950035 SZXORLAJDNTYFE-ZDXQCDESSA-N 433.939 4.711 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CC[C@H](C)F)C2=O)cc1 814704668 XYQKDYOMVRQRJF-YWZLYKJASA-N 441.528 4.598 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1 1084067075 UVQPZYGGSYVJOH-BKUYFWCQSA-N 448.475 4.995 30 10 IJEE C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C(=O)N1C 1084288760 VMBQRJGRCBVVHK-IKBLNMOSSA-N 432.332 4.976 30 10 IJEE CC[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Oc1ccccc1C(F)(F)F 1126817101 CSCBSHIFSSQUDL-CYBMUJFWSA-N 431.336 4.578 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc3c(c2)C(=O)CC(C)(C)O3)CCCN1C(=O)OC(C)(C)C 1128733689 RBBFPAQOCZTSAZ-DEOSSOPVSA-N 429.513 4.682 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 1142217063 WGRUVKDZVLGTHH-UYAOXDASSA-N 432.561 4.741 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1OC 1149573761 GCAGCDCNQWNWCQ-PTHHNIJRSA-N 434.536 4.616 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2cc(Cl)ccc2OC(F)F)CN(C(=O)OC(C)(C)C)C1 1152937998 BJCVHNUSSKCGRL-CYBMUJFWSA-N 444.906 4.932 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(=O)OCC 1153517441 ZZXUKXDDUWYDFX-OAQYLSRUSA-N 437.927 4.820 30 10 IJEE C=CCC1(NC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(S)nc3c2)CCCCC1 1158109747 UUOPTPKOXWJPKL-UHFFFAOYSA-N 447.604 4.937 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CCc2ccc(Br)cc2)c1 1167359734 GWNILYCJUVQTCL-IBGZPJMESA-N 442.401 4.876 30 10 IJEE CC[C@@](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)(C(=O)OC)c1ccccc1 1197961969 DOYWYDZZAZIVNB-SQHAQQRYSA-N 441.531 4.985 30 10 IJEE C#CCC1(NC(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1229199444 QXWCIYFDBWFVPK-QHCPKHFHSA-N 438.593 4.513 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1264434180 BMTRTYSVRPTKOZ-IBGZPJMESA-N 447.457 4.801 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1=CCCCC1 1286422373 YYPBJAYBXYMSAK-UHFFFAOYSA-N 429.387 4.732 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc(CC)n1 1286422901 FVZXWWQEVPWULC-UHFFFAOYSA-N 431.609 4.773 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C)C(C)(C)C1 1286500493 VCEZXNFKEUFOGZ-GOSISDBHSA-N 434.613 4.574 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)C)C1 1286542590 NBOTWNUELPWWCR-SFHVURJKSA-N 433.394 4.865 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCc2ccc(Br)cc2C1 1286599979 GFRYKLMAKXSBTA-MRXNPFEDSA-N 433.394 4.710 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1286659534 SWTGZFOOERORCD-NHCUHLMSSA-N 439.623 4.778 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1286678767 DJTKLEHXOOCFFV-ZEQKJWHPSA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1286682098 CWFSDZKPYGXYRP-LJQANCHMSA-N 439.604 4.678 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1286701577 YSRGIJSSSGYXGO-RTBURBONSA-N 434.588 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(Cc2ccc(F)cc2)CC1 1286717693 GWINBPKMVVVGOM-UHFFFAOYSA-N 444.352 4.820 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCC1CCOCC1 1286717911 PNEGFVZVMMZMBB-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCc1nc(C(C)(C)C)cs1 1286730916 SCKVQXUBVYOVDU-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@@H]1C 1286745452 UDKDOMZPZRYRFJ-ICSRJNTNSA-N 440.588 4.935 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(SC)CC2)C1 1286801042 VMZSTQYQTBSAJN-WOJBJXKFSA-N 442.629 4.712 30 10 IJEE C#CCC1(NC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)CCC1 1289151285 SFZJKLNQJBRAHF-UHFFFAOYSA-N 426.179 4.502 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cnc(C)s1 1300356619 CZOLPOPIOJYESK-UHFFFAOYSA-N 432.553 4.805 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(OC)CC1 1300386216 NOPCQHGQZKCVJA-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1300742229 BILCLUGBCYTSLY-LEWJYISDSA-N 428.671 4.984 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1SC 1300888231 IQTHVFBRJPPLLT-ZJSXRUAMSA-N 449.624 4.603 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)C1CCCCC1 1300897086 NYNJSYOOIKIYOY-YADARESESA-N 440.588 4.616 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1300928669 LLDGIYJSUQLPCJ-IBGZPJMESA-N 429.584 4.692 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1300944423 NENAPSSYTLBWHC-UHFFFAOYSA-N 441.988 4.589 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301023845 JSRUPWLHBKIRGE-HOCLYGCPSA-N 439.785 4.772 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CC=CCO2)CC1 1301112443 WSKNYYXFMBCLDK-KRWDZBQOSA-N 447.352 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2COCC)CC1 1301114989 ZGOMJVRYYBKGPO-UHFFFAOYSA-N 437.975 4.981 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1nnc(C)s1 1301279054 VBNMNBVPASECPD-CQSZACIVSA-N 428.631 4.546 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)CN1CCCC1 1301371314 BHNOCWAANGFYEI-GOSISDBHSA-N 444.421 4.618 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(CC)CCCC2)C1 1301545802 LLXHBJASYYMHGT-HXUWFJFHSA-N 440.588 4.714 30 10 IJEE Cc1cc(C)cc(CSCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 1307313015 FXONZCHGINLXPN-FQEVSTJZSA-N 437.609 4.906 30 10 IJEE C#CCN(Cc1cccc(CN2CCCCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1308075116 IQKGBFYQQCGZMH-UHFFFAOYSA-N 425.617 4.507 30 10 IJEE C=CCCC[C@H](NC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 1311723685 VBGXGYROYKXNDR-OTPAQWSUSA-N 449.595 4.833 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCSC[C@@H]2c2ccccc2)cc(OC)c1OC 1311747654 JNVBYFYNSNEJEX-OAQYLSRUSA-N 426.582 4.822 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1313234839 XVBCOEYLRLSMGI-HSZRJFAPSA-N 435.568 4.746 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F 1350956118 XUCIMFYJCNCLFR-UHFFFAOYSA-N 432.320 4.772 30 10 IJEE C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F 1358496061 DHCNCDTZIKVULF-JTQLQIEISA-N 427.220 4.879 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC(C)(C)c1cccs1 1358982609 CRECMXJOOTTWAN-UHFFFAOYSA-N 432.593 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1359091402 MXTLHVZWQFXVIG-YAKVFXAGSA-N 446.542 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC[C@H]1C 1359094998 IWJFFXFNZOGIMG-GUXCAODWSA-N 449.020 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCOc1ccc(Cl)cn1 1359111172 QXLMYUMSLUILAN-UHFFFAOYSA-N 436.947 4.956 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1359122738 SUKIISFBPAOEQT-UHFFFAOYSA-N 431.584 4.828 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1359162180 HDTFJQQAPKUCBU-MOPGFXCFSA-N 444.023 4.884 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(O)CCCCC2)CC1 1359182193 WJLQZYNOBUMSSW-UHFFFAOYSA-N 426.630 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1359189991 ABCKRWKTKSIKSX-DEOSSOPVSA-N 444.627 4.971 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359198557 UJCSJGUCQDASSK-MAUKXSAKSA-N 442.457 4.681 30 10 IJEE C=CCCCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359206016 RBZROCDBAJTHIF-XLIONFOSSA-N 447.505 4.793 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1359214355 AQJVXLIKQFGGLJ-AABGKKOBSA-N 447.624 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1359234594 UMWKOUHBHDIAHN-WMZOPIPTSA-N 446.437 4.759 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359244009 MSFWBYUPUVRFJU-OYRHEFFESA-N 425.621 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCCN1CCCC[C@H]1C 1359259805 IUXHNGYSEQIJTO-HXUWFJFHSA-N 436.579 4.869 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)C2CCCCC2)cc1 1359307627 PVXABFCMVDHYKL-IBGZPJMESA-N 434.588 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)CN2CCCCC2)C1 1359315585 XHVCVQZVQZXFNT-KNQAVFIVSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1359342015 MULQPRJZYNOPQF-UYAOXDASSA-N 432.590 4.520 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2Cl)CC1 1359345081 SGFSOSGJGUKTLH-UHFFFAOYSA-N 446.064 4.910 30 10 IJEE CC(C)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)CC1 1360496907 CGMOZYFWFJCONR-LJQANCHMSA-N 448.640 4.724 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1c2ccccc2C(=O)OC12CCC2 1436641529 SEANPHOSKVMUQF-IBGZPJMESA-N 442.309 4.829 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1Cl 1437370925 SUMVWLDEIHTEMP-BHIYHBOVSA-N 444.984 4.640 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)CC1 1439014590 DZVQCBSDIXGPOU-JCNLHEQBSA-N 440.956 4.581 30 10 IJEE C#Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)cc1 1442238380 ZQDGUEZFYYBQSC-UHFFFAOYSA-N 429.951 4.896 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1n[nH]c(C)c1C 1443234417 BFNGYELNFHGGRJ-QHCPKHFHSA-N 444.535 4.839 30 10 IJEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(CC#N)c1 1449722673 BDBAWQKUOQKELP-KRWDZBQOSA-N 425.488 4.618 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2cncc(Br)c2)cc1OC 1456072720 ZWEWBACKXRIMCC-QRBZPYHOSA-N 443.341 4.794 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccccn1 1458984460 JAQSVWSVLNPDHC-UHFFFAOYSA-N 429.549 4.909 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 1460787006 HGJPPHBTFKRLEY-YJILXKLTSA-N 441.358 4.878 30 10 IJEE C=CCOc1cccnc1C(=O)N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21 1462849267 GLRXGCGNSFAYAD-INIZCTEOSA-N 429.314 4.585 30 10 IJEE CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 1464983227 CGBWOLNYXFVYRZ-FQEVSTJZSA-N 446.776 4.883 30 10 IJEE Cc1ccccc1Oc1ccccc1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1468674259 BFVAUEHREFSOED-UHFFFAOYSA-N 440.547 4.686 30 10 IJEE C#C[C@@H](Nc1ncnc2ccc(I)cc12)c1ccc(Cl)cc1F 1472780407 DRZFDNZQCZPTQT-OAHLLOKOSA-N 437.643 4.813 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)c1ccc(F)c(Br)c1)C(C)C 1477281522 LYUSYBUBVIWMHU-DNVCBOLYSA-N 426.374 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1507524354 ARQDXLFWGSVEAU-IBGZPJMESA-N 439.604 4.795 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc(Cl)nc1 1507684370 AJCPWCGGXQJGDX-UHFFFAOYSA-N 437.975 4.926 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccco1 1507745729 FGDGPYXTVRVUIA-PXNSSMCTSA-N 440.544 4.858 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1507775204 INIVBMDVKFQRDL-CYBMUJFWSA-N 434.338 4.777 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1Br 1507845120 AYKFENPTVUFGQV-UHFFFAOYSA-N 435.410 4.858 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1507879854 XJSGOMNKJUCENB-UQBPGWFLSA-N 442.604 4.696 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C)C2CCCC2)CC1 1507881645 SOIWYKKQJAUGAO-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1507900391 MDUWVTKELANOHK-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CC=CCC1 1507918387 DSGOEIXUFMJNHP-GOSISDBHSA-N 427.618 4.664 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CSc2ccccc21 1507929259 ORVFQAGCUOABRD-IBGZPJMESA-N 439.629 4.586 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)COC 1508007312 ZRDFQEBHGIOTHO-SFHVURJKSA-N 435.597 4.973 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](OC)C(C)C)C1 1508118016 QGXRXZZPTHDTQJ-VQTJNVASSA-N 444.645 4.728 30 10 IJEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3ccc4ccccc4n3)nnc2N(C)[C@H](C)CC#N)C1 1511999419 CFPIYTISMMUAOE-NJDAHSKKSA-N 445.615 4.600 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)C1 1512098498 FCMXKYCPHFZNFP-GQOCTPOGSA-N 435.597 4.801 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c1 1516962671 MZWMQPOSHHGWGO-IRXDYDNUSA-N 432.973 4.734 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H]1CCCCO1 1518009547 COYYKGFNFGDOMY-IBGZPJMESA-N 443.979 4.696 30 10 IJEE C=CCc1cc(C(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2OC)cc(OC)c1OC 1519537579 WHYIPNRMEFDQEP-RUZDIDTESA-N 447.531 4.969 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)ccc1-n1cncn1 1520236331 IMKINLNVSUXBJY-UHFFFAOYSA-N 449.711 4.651 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 1525880235 BSQVBSVVUQVWHZ-GOSISDBHSA-N 448.425 4.725 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C(=O)OCC)c1C 1525888324 YNVLJINFSDGHLK-OLZOCXBDSA-N 447.475 4.883 30 10 IJEE N#Cc1nc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)ccc1Br 1529891398 DAACGZQMMUBLEM-UHFFFAOYSA-N 429.661 4.809 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@H]2CCCC2(F)F)nnc1-c1ccc(Cl)cc1 1536402299 ZPUYLBLMFLHCNE-OAHLLOKOSA-N 440.947 4.818 30 10 IJEE C=CCc1cc(C(=O)NCCc2cc(Cl)cc(Br)c2)cc(OC)c1OC 1536806248 NTEDTYBMLSOMRX-UHFFFAOYSA-N 438.749 4.821 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cn3ccc(Br)cc3n2)c1 1536872484 RDPSAULRSKJKCA-UHFFFAOYSA-N 436.334 4.987 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)CCCN1C(=O)OC(C)(C)C 1538318054 GUVKMZXYQPWBEP-CMJOXMDJSA-N 434.964 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC2(C#N)CCCCC2)C1 1538706082 CGBBANYCKIVPRT-NHCUHLMSSA-N 443.563 4.899 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)c1ccco1 1538972392 HXGCUVYQKJTHRX-PEBXRYMYSA-N 440.956 4.772 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1nc2c(s1)CCCC2 1538986162 IXPMAKABGAVJAC-HNNXBMFYSA-N 425.989 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1539030383 QZGWLJMQUVGLAT-XSLAGTTESA-N 443.389 4.514 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1539077927 MZGGQFCHRIURLX-LJQANCHMSA-N 437.588 4.588 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCCCC[C@H]21 1539519550 KNSPWXPHYNSBSJ-LAUBAEHRSA-N 430.568 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCC(=O)Nc1cccc(Cl)c1C 1539668355 XOULARKGTVTXSJ-GOSISDBHSA-N 445.995 4.565 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ccon1 1539731054 XAWWTMSXUPXQIQ-UHFFFAOYSA-N 446.555 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1C 1539926713 SBYFAOUDHBDQCG-UHFFFAOYSA-N 437.613 4.817 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1540049904 VKTNIBVOVWUOQY-YDSTWLSQSA-N 430.980 4.635 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1540116576 WYLPKGOOGZKLLP-LJQANCHMSA-N 441.595 4.662 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1CCCCN1CCC 1540141663 DKHWDEORRFJCIF-HXUWFJFHSA-N 438.645 4.802 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(Cl)s1 1540153515 HCRGMNMOYAPWAX-UHFFFAOYSA-N 430.961 4.904 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(Cc1ccco1)C(C)C 1540854976 QONSNPLPYHZVPC-UHFFFAOYSA-N 431.334 4.910 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1546069075 CRUMIDWJNNQQRI-UZLBHIALSA-N 449.507 4.798 30 10 IJEE COc1cc(/C=C2\S/C(=N\N=C/c3ccccc3C)N(Cc3ccco3)C2=O)ccc1O 1554646702 GBIWMSSXTFTBTP-CLIINMCLSA-N 447.516 4.809 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@]2(CO)C[C@H]2c2ccccc2)c1 1556840218 CIVUYIWSMIUEAC-SQJMNOBHSA-N 432.907 4.900 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@H]2CCCN2CC2CCCCC2)cc1 1558927540 AKUUKLMNAFLWQD-RUZDIDTESA-N 431.580 4.912 30 10 IJEE COc1ccc(CC[C@@H]2CCCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC 1559520177 AUXOLTQWIOIHCJ-FQEVSTJZSA-N 441.959 4.655 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1OC 1561029987 BPHBCGSLEDWKOK-SJLPKXTDSA-N 438.996 4.896 30 10 IJEE C[C@@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1561141109 GPSUSMXUSWMOKA-LBPRGKRZSA-N 439.762 4.888 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc23)CC1 1565627296 HFARQNWEOIRTIL-UHFFFAOYSA-N 442.401 4.953 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1566764039 JYZLBJDXCYLKQK-QGZVFWFLSA-N 443.935 4.585 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 1583220006 YPXXKRNCAZDBGV-OAQYLSRUSA-N 442.515 4.508 30 10 IJEE C#C[C@H](NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(Cl)cc1 1583549506 MDECMXMOGFTJNG-SFHVURJKSA-N 444.844 4.921 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1CCCC 1587915928 WEBWZOFIAJJFFM-DHIUTWEWSA-N 437.632 4.759 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1588844226 JFJJIRZGZNRWSY-HNNXBMFYSA-N 436.364 4.965 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C)(C)CC1 1589503399 CKBYZQCAPGDKAX-PGRDOPGGSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1593631116 SSBLFKTYFYQFQC-JKSUJKDBSA-N 431.378 4.634 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@H](C)C1 1593840364 HQSSBHABLSCYNR-CYBMUJFWSA-N 427.799 4.710 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCSC2(CCCCC2)C1 1594567354 OOVPFMXFLXKMGD-UHFFFAOYSA-N 433.666 4.809 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1594627440 VDCUFPSBZUXXBR-RBUKOAKNSA-N 433.641 4.963 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1594720577 PNHBEDADLCAENY-IBGZPJMESA-N 434.588 4.514 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@H](C)C1)C1CC1 1595026216 GWHVHDWMZNPFPL-OALUTQOASA-N 444.023 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1595161803 MEGKCEZBPYFIBV-WOJBJXKFSA-N 445.677 4.620 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCC(C)CC1 1595191338 PPMKUKUESVRBGL-UHFFFAOYSA-N 429.996 4.517 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(N2CCCCC2)CC1 1595343145 BWFZDUHMOPRNED-UHFFFAOYSA-N 444.421 4.657 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(O)CCCC2(C)C)C1 1595680781 MYYFNAZWHUQQAE-UFPGJGBJSA-N 438.616 4.543 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@H](C)[C@@H]1C 1595901130 PZVXMKJJRLVBSJ-RBUKOAKNSA-N 432.659 4.723 30 10 IJEE C=CCc1cc(C(=O)N[C@H](CC(=O)OC)c2cccc3ccccc23)cc(OC)c1OC 1596330218 HOZVGFAAFOPWBD-JOCHJYFZSA-N 433.504 4.620 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCCC2)C[C@H](C(F)(F)F)O1 1612916636 DADBAXLVJSULCC-OXQOHEQNSA-N 447.505 4.943 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 1625188890 LYRMJXBRLHXMJV-QFIPXVFZSA-N 433.533 4.682 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 1625615024 JLQXNLNKSUKHIT-IBGZPJMESA-N 445.535 4.590 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Br)cc1C 1629274306 FLPCNHKTDOMDQV-QGZVFWFLSA-N 425.367 4.623 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1630611956 ICASEGAETIBELZ-SFHVURJKSA-N 449.389 4.926 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2c[nH]c3cc(F)c(C)cc23)CCCN1C(=O)OC(C)(C)C 1630825578 XRNXKAFCSHFXHP-DEOSSOPVSA-N 429.536 4.620 30 10 IJEE C=C[C@H](COC)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1630872252 DAEUCAYVGUHYGE-CYBMUJFWSA-N 430.373 4.776 30 10 IJEE C=CC[C@@H](NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)OCC 1632656294 OJGQESOQBGMIOR-JOCHJYFZSA-N 438.955 4.900 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCN1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1633470959 KRWFWPIHEBBKEA-YLJYHZDGSA-N 427.511 4.513 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c1 1634738115 NKPKXLPKYCWOSX-NRFANRHFSA-N 449.494 4.870 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc3c(c2)nc(C)n3C2CC2)CCCN1C(=O)OC(C)(C)C 1635109372 QFLLKOZGTOGNNW-RUZDIDTESA-N 438.572 4.642 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1636857221 ZMHWXOQVTUZBKV-OAMQYNQWSA-N 435.505 4.595 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1ccc([N+](=O)[O-])c(OCC)c1 1639673389 MSMMQTXZTNHPAU-UHFFFAOYSA-N 426.498 4.810 30 10 IJEE C[C@H]1CN(c2ccnc(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)c2)C[C@H](C)O1 1640748614 BLKQHURKKDSJFC-ROUUACIJSA-N 444.560 4.970 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 1641844354 XNLIDOJIYWBQNW-LLVKDONJSA-N 438.336 4.682 30 10 IJEE CC[C@H](Cc1ccccc1)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1644713288 GYIFXPFFHSJLNP-JOCHJYFZSA-N 444.579 4.866 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2c(Br)cc(Br)cc2C#N)c1 1652234619 CAFLNTQSRJYFIC-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE C=CCn1c(SC[C@@H]2CC(C(=O)OC)=C(C)O2)nnc1-c1ccc(C(C)(C)C)cc1 1652411743 GSXWUTXLZVOHME-SFHVURJKSA-N 427.570 4.757 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C/C=C/c2ccc(Cl)cc2)CC1 1653176181 AJMZACVUIPCKHQ-WODVNSBQSA-N 430.777 4.998 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1cc(=O)oc2cc(OC)ccc12 1653290171 UVKTYICMZGHBGG-UHFFFAOYSA-N 432.289 4.891 30 10 IJEE N[C@](C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)(c1cccc(F)c1)C(F)(F)F 1654480425 FESWAWVCAVPWAD-ACJLOTCBSA-N 434.355 4.577 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCNC3(C(=O)OC(C)(C)C)CCCCC3)c2C#N)C1 1655022545 AXOYMWOQCVJZQB-MRXNPFEDSA-N 445.629 4.707 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1OC 1657440987 YSLDUFVWIHADLJ-UHFFFAOYSA-N 448.954 4.655 30 10 IJEE Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2cc(Br)ccc2C#N)c1 1660363907 FTFKXGYPBQGJOF-LJQANCHMSA-N 433.371 4.935 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl 1661742155 PENHCSPMAIHDEN-UHFFFAOYSA-N 434.819 4.676 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ncc(Cc3c(F)cccc3F)s2)cc1 1663424905 ZUZBBFZHUHROMV-UHFFFAOYSA-N 443.479 4.964 30 10 IJEE Cc1c(Br)cccc1CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1664123757 AVRNHQUADWBHQT-UHFFFAOYSA-N 435.368 4.631 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2ccccc2)cc1 1664988719 HAMWCQKASPGLFG-NRFANRHFSA-N 446.450 4.654 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 1666586314 YJVHOXVTQGTTDQ-UHFFFAOYSA-N 441.524 4.790 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1cc(C)cc(NC(=O)OC(C)(C)C)c1 1669074196 ZQUFFXXIRKUVHE-UHFFFAOYSA-N 425.529 4.906 30 10 IJEE C[C@H](NC(=O)NCc1cccc2c1OCCCO2)c1ccc(-c2cccc(C#N)c2)cc1 1670324927 FPPBYKJMLLJQJN-SFHVURJKSA-N 427.504 4.947 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 1671186369 XQPIREKHYCQVJK-MIZPHKNDSA-N 429.967 4.959 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](COC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1672827704 FMDRZAGVDIHWAJ-VQIMIIECSA-N 435.749 4.506 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1)c1ccc(Cl)cc1F 1679563099 MGWFZJLJVWPUIP-ORAYPTAESA-N 436.314 4.854 30 10 IJEE CCOc1ccc(Br)cc1CN(C(=O)Nc1cc(C)c(C#N)cn1)C1CC1 1679652246 GDDQDMGRYAJTQI-UHFFFAOYSA-N 429.318 4.619 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)c(F)c1 1681783318 IQHLUSCYAQKSTJ-WMZHIEFXSA-N 434.490 4.896 30 10 IJEE C#CCN(C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682089510 FPWHNKWBVXYOLI-FPOVZHCZSA-N 443.563 4.506 30 10 IJEE C#CCN(C)CCCNC(=O)N1C[C@@H](c2ccccc2Cl)c2c([nH]c3ccccc23)[C@@H]1C 1682963492 HUAJUDFMKLZXOV-RXVVDRJESA-N 448.998 4.995 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)CCCC1 1683823420 LSSILWKQZCNOEU-LJQANCHMSA-N 430.568 4.895 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)c1ccccc1 1686919502 HACRFTDVZBSQLN-RDPSFJRHSA-N 432.545 4.797 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC(CC)(CC)OC 1690089610 ICUFGFZFUJPRCB-NRFANRHFSA-N 428.552 4.504 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@@H]1CCCCN1CCCC 1690089772 MHVUEJIPAKQSSY-DEOSSOPVSA-N 437.607 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)c1ccco1 1690196191 AXSZWCQLLRRYRJ-CLJLJLNGSA-N 432.568 4.735 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)c2ccccc2)CC1 1690396393 AOSORPXQTXKSCO-LJQANCHMSA-N 430.556 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690434936 LZOSBZMAQAHOJW-UHFFFAOYSA-N 446.599 4.617 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690456221 ZUBNRPCBIFTVDB-LJQANCHMSA-N 447.612 4.513 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCc2cccnc21 1690515760 SVZCWBTVFFPSLB-CTNGQTDRSA-N 447.583 4.954 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CN(C)C)C1CC1 1690539491 BKIYWWXENKQDJW-UHFFFAOYSA-N 446.437 4.759 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CC=CCC1 1690555907 HGPIXJPVZONGNT-OAQYLSRUSA-N 429.568 4.821 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1(CC)CCCC1 1690569884 ONOZOMPKPPEDBR-HXUWFJFHSA-N 425.552 4.531 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@H](C)C1 1690576040 LHTIPAFSUVYHNP-PMACEKPBSA-N 436.629 4.715 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCS[C@@H](C(C)C)C1 1690682173 GZAPXNYGHCUTBN-JOCHJYFZSA-N 435.597 4.531 30 10 IJEE CC(C)N(CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N)C(C)C 1690995315 HLYOZPBIFTYQCK-LJQANCHMSA-N 442.677 4.990 30 10 IJEE C[C@H]1CCCC[C@H]1OCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1693639203 CKICMHFXMOUXHR-WMZHIEFXSA-N 439.579 4.733 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCC[C@@H]1C 1694238873 IBPMHXMQCOPNMU-XUZZJYLKSA-N 434.632 4.824 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)C1 1697210983 AWDGFJGRFIEBAP-CPJSRVTESA-N 437.588 4.560 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCSC1 1705577552 KODRHBGJODBTMN-KRWDZBQOSA-N 436.581 4.639 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@@H]1CCCC[C@@H]1C 1705678502 DKBXXNVEXYWGTJ-QEYAQHABSA-N 442.648 4.784 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1705770682 PZWGSVWYNMIUCC-OAQYLSRUSA-N 443.636 4.814 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccc(F)cn2)CC1 1705772557 QRGAVEVPJOXOII-UHFFFAOYSA-N 448.329 4.903 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CSCCS2)CC1 1705776367 DXDDNIDDQUZAHL-UZLBHIALSA-N 448.633 4.808 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)CC 1705792495 UPMHFMCNPDBBMT-LJQANCHMSA-N 425.625 4.537 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705801095 SNYJBRYBLXFPIX-LJQANCHMSA-N 435.572 4.741 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)SC 1705868131 CCIKKIGXGZUYOF-KRWDZBQOSA-N 438.626 4.522 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705940182 YAMUVJTWFJUIEA-QYZOEREBSA-N 449.665 4.547 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)C1CCCCC1 1705943649 HKWGYYKYAVONOO-UHFFFAOYSA-N 438.601 4.672 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCN(C(C)C)C(C)C 1706559595 GDHZOCHQLWOCDD-UHFFFAOYSA-N 434.588 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(OC)CCCCC1 1722278645 RQVDPEMOJFWDSP-PMACEKPBSA-N 440.588 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@@H](COC)C1 1722494344 LYBCXJKDLVPUQN-UZKOGDIHSA-N 445.007 4.833 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCS[C@H](CC)C1 1722548641 NUMQCJGVMNZSJB-CYBMUJFWSA-N 427.799 4.792 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722599276 BVGIMSGDOUKQEL-UHFFFAOYSA-N 439.579 4.669 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1722613847 SAHNCZCLCTXXKI-FQEVSTJZSA-N 427.911 4.677 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@H](C)C1 1722660870 JXMAOYMTOCNSOB-MSOLQXFVSA-N 436.585 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCc1cccnc1 1722661751 QOBXHFQHCKDYQM-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(F)(F)F)CC1 1722741700 UHMVAWZWUVXOPR-UHFFFAOYSA-N 446.489 4.845 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccco1)c1cccnc1 1723108634 BQIQEMSERJVIIZ-HSZRJFAPSA-N 426.524 4.881 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1CCCC[C@@H]1C 1740543685 VAFONCKICMINSP-SFTDATJTSA-N 430.600 4.606 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccnc(SC)c1 1740559310 ZWUGSLLBUZOZCS-LJQANCHMSA-N 449.624 4.912 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1740572305 HOTOSKVGZZJQDY-YADHBBJMSA-N 431.584 4.937 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccs1 1740682234 OFYOVRHVSBJKCB-QGZVFWFLSA-N 440.638 4.522 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1740826596 PWKXLLXBKBEQLA-QFIPXVFZSA-N 428.989 4.648 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(F)cc(C)c2C1 1740843832 QWPOQMJJTVUSAO-SFHVURJKSA-N 430.568 4.615 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1740897227 ZNILZZNKEXQPMX-JTHBVZDNSA-N 430.600 4.571 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CCC 1740932578 RGKIJKXLPGIMRO-HSALFYBXSA-N 429.609 4.932 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCc2cc(OC)ccc21 1740941855 VDTARCHAIXZKJK-HXUWFJFHSA-N 426.605 4.634 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNc1ncc(Cl)cc1Cl 1741984034 GOHVFZSYAWUWEY-FQEVSTJZSA-N 436.391 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H](c1ccsc1)N(CC)CC 1748677058 BSMPNEZRSUYCTA-AVRDEDQJSA-N 439.604 4.611 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CCC[C@@H]2CC)c1 1748694318 DUVLFDONSLFBBC-GOTSBHOMSA-N 447.627 4.893 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC1CCC(F)(F)CC1 1748900561 GOAHXKSDHILZBI-UHFFFAOYSA-N 440.538 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1c(C)noc1C 1749069370 XNUOWMYJFSSRGH-IZHWHUGBSA-N 439.510 4.548 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C)CC1 1749135283 DHOWJFMDTJCIIV-YDHSSHFGSA-N 428.552 4.604 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N2CCCCC2)CC1 1749277290 AFYHNRCBWKDKPE-UHFFFAOYSA-N 444.023 4.681 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1749309212 GFKQNEQSCTXTEF-HXUWFJFHSA-N 439.604 4.523 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1749343981 XCOBWZOVQOPJLP-JOCHJYFZSA-N 437.975 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(F)(F)F)C1 1749364247 OCWCTIFCTBJKOB-SFHVURJKSA-N 433.478 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749373691 QXTOABILTIDCIU-QHCPKHFHSA-N 449.643 4.647 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(c3nc4cc(C)ccc4o3)CC2)nnc1C(C)(C)C 1749377326 QPXDLVWMTIBTAS-UHFFFAOYSA-N 436.604 4.954 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@@H](C)C1 1749452196 RBAFXHADUQBTDY-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1749456731 KVZOXQNOJAXAAX-YADHBBJMSA-N 429.653 4.619 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC(OCCC(C)C)CC1 1749608070 IJAMYGGGDNOREX-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C#CCCCCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142738 LZRYITTUFSIZOR-PCCBWWKXSA-N 443.636 4.725 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)C1CCCCC1 1760225460 QFJQYQQFZRHKPT-HOYKHHGWSA-N 445.007 4.862 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccc(Cl)cc1 1760229103 DJSANLHQTZYXMO-HNNXBMFYSA-N 430.339 4.574 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(CCC)CCC1 1760246072 RVSDWHFZPLZBBW-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1760332690 KZYNGZQCBLTPIM-UGKGYDQZSA-N 436.629 4.887 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCC(C)CC1 1760340923 SYAWIYXNFHFHGP-FQEVSTJZSA-N 429.584 4.519 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1760346449 AYBRQZJSBNAXRB-QGZVFWFLSA-N 444.551 4.970 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2cccs2)N(C)C)CC1 1760385452 RCQUOAYGIQHJGR-QGZVFWFLSA-N 428.993 4.514 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccsc2)CC1 1760397787 BRNQZFHQBGVGFX-UHFFFAOYSA-N 432.391 4.742 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2ccccn2)CC1 1760429606 JXEFGYADVDVTRI-UHFFFAOYSA-N 446.599 4.552 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN(C)c1ccccc1 1760444510 JSIKQENVZLYORY-FGZHOGPDSA-N 425.621 4.736 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCCC1(C)C)C1CC1 1760471187 OXNKZVRWYMZDKA-JOCHJYFZSA-N 445.405 4.804 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1 1760478269 BHAZYMDILQQOIG-OAQYLSRUSA-N 434.632 4.976 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCN(C(C)C)C1 1760490946 OGENENMIBRRKCP-OAQYLSRUSA-N 445.615 4.634 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccc(Cl)nc2)C1 1760536075 BYIMCAGZNQBGCZ-LEWJYISDSA-N 437.975 4.698 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CCOCC2)C1 1760562065 WDKFQONZKKRFAZ-UHFFFAOYSA-N 449.020 4.533 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[C@H](F)C2)C1 1761545667 HPODNUMITRKSID-SGXKBVARSA-N 431.943 4.779 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1762822742 HPVXFNXMORZSFI-CTVDGRRTSA-N 434.632 4.952 30 10 IJEE COc1ccc(CCn2c(O)c(N=Nc3ccc(C)c([N+](=O)[O-])c3)c(C)c(C#N)c2=O)cc1 1772740676 DDANFWRCCNMDPM-UHFFFAOYSA-N 447.451 4.617 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2cc(C(C)(C)C)nc3ccc(Cl)cc23)c1C#N 1859647977 UCNSFZNRNGHAJW-UHFFFAOYSA-N 425.872 4.998 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COc1ccc(C)cc1 1861791788 HZINRQZRDMYGEZ-XMMPIXPASA-N 442.575 4.717 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2F)cc1 1862391290 XIFWYWDZBYBXMQ-WMZHIEFXSA-N 437.511 4.926 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Br)ccc2F)cc1 1862484477 NSGYEBARVUIMKC-SFHVURJKSA-N 430.273 4.637 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(C)C)cc2)ccc1F 1862504591 XUIKOCHXUDURBK-QHCPKHFHSA-N 439.527 4.998 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862534731 VCRUPXHPCPEYLS-QHCPKHFHSA-N 442.471 4.936 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862536083 QFYMDCMGXSQZBK-OAQYLSRUSA-N 435.501 4.500 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)c(OC)c1 1862551812 YNDCMQMRONWKRD-UPCLLVRISA-N 449.547 4.959 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2)cc1OC 1862576224 PKPRRHHGWDOPGL-JOCHJYFZSA-N 449.528 4.586 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2C)cc1F 1862638471 BSEAGXXJDJEPHK-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862678584 OXLMYMKAJSDNPB-MMACOIQUSA-N 437.467 4.681 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 1862688376 WTOSOFSASOBIGG-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 1862712919 CQIAYWNUAACHRF-XMMPIXPASA-N 428.532 4.760 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1 1862777273 UXSFZHRIDAFUCK-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)COc2ccccc2Br)c1 1866135141 QACDMMPZUMQRBD-UHFFFAOYSA-N 449.304 4.878 30 10 IJEE CCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867012032 TYTDORPOHOHDAH-ZEQRLZLVSA-N 433.552 4.764 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccccc2-c2ccccc2)cc1 1870146925 OWTNPRVABZVFMO-UHFFFAOYSA-N 436.519 4.904 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H]2CCCO2)c(C)c1 1871252350 WPLJJJWJSDGPOM-XMMPIXPASA-N 443.547 4.707 30 10 IJEE CCCOC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 1871345725 JOMOBHMVXYTZNM-QRVIBDJDSA-N 445.471 4.815 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCC 1871815726 FEHXBIVMCLXYAC-GOSISDBHSA-N 434.524 4.821 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871860975 VDJNYKZKWBXZCI-OAQYLSRUSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872371899 LSFWTDMGPBMMER-MAUKXSAKSA-N 434.524 4.677 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(C)cc1 1872568374 KXVGZGHDQMZOLP-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873562053 KYURWJMLHXTRTP-UHFFFAOYSA-N 425.536 4.526 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874264973 UOGCFBOIXIUJJJ-YDZHTSKRSA-N 444.944 4.688 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(F)cc1F 1874288801 QRRARYMQCIMWPE-BHGWPJFGSA-N 430.480 4.694 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874376925 WECCSQRXNSEDDB-WSDLNYQXSA-N 431.880 4.730 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccccc2)ccc1O 1874428012 MWADVJPWQCIQQZ-ZMOGYAJESA-N 449.467 4.873 30 10 IJEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCCCC)c(OC)c1 1874447265 XTNGZAIWESYPFS-IXOWOOARSA-N 430.574 4.868 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OC(C)C 1874457252 INODPLOEZVRAMO-ZMOGYAJESA-N 444.601 4.896 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874462451 UNMUQUFSPITXEW-YSURURNPSA-N 442.507 4.768 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C(C)(C)C)c1 1874482902 TZOUIHMAMMDJFZ-ZVHZXABRSA-N 437.569 4.506 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1c[nH]c2ccccc12)Nc1ccccc1 1874493528 RLKURURXKRHYGQ-AFUMVMLFSA-N 430.537 4.640 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CC3)c([N+](=O)[O-])c2)c(OCC)c1 1875178020 ZJJSKDFIAMNHMU-VZUCSPMQSA-N 425.437 4.604 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc21 1890714395 YNYBEBGXBYSTKS-UHFFFAOYSA-N 427.504 4.939 30 10 IJEE N#Cc1cc(F)ccc1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1959290338 PXJZMCIRIMLPJJ-UHFFFAOYSA-N 431.467 4.970 30 10 IJEE Cc1cc(Br)c(F)c(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1 1964779045 OENJKXACVFUYHL-AWEZNQCLSA-N 442.329 4.812 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(C1)CC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2 1983300295 NABKYWUMSNNYNI-UHFFFAOYSA-N 433.471 4.515 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2002711946 QUYKKWXFGJCSFG-RCZVLFRGSA-N 434.621 4.526 30 10 IJEE Cc1cc(C)c([C@H](C2CCC2)n2nc(C)c(/C=N/O)c2I)cc1C 2079108195 ISXDLLJVSMNACK-FWOHHPOZSA-N 437.325 4.919 30 10 IJEE N#Cc1c(C2CCOCC2)nn(Cc2cccc(C(F)(F)F)c2F)c1Br 2080341751 ZAFQHOMHSZDHCB-UHFFFAOYSA-N 432.215 4.617 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100156803 OSTKVWGHQQAEDB-RPWUZVMVSA-N 435.417 4.802 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2110495259 OJELMPXQFXXNLZ-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE C[C@H]1CCN(c2cc(Br)cc(F)c2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2118201873 VMFLEFWBPADZNN-JSGCOSHPSA-N 426.330 4.589 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC1(N(C)C(=O)OC(C)(C)C)CCCCC1 2124458284 SERIRZFLAZGVAP-UHFFFAOYSA-N 429.399 4.870 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCCC 2145541786 PZYSQPQPSKUGMR-RTBURBONSA-N 441.385 4.806 30 10 IJEE Cc1cc(Br)ccc1SCC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2163747423 ZTWYHBFNJOIVQI-UHFFFAOYSA-N 440.212 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2c2cc(Br)cc(F)c2C#N)C1 2174770501 XJLMCYYMWMQANI-GUYCJALGSA-N 438.341 4.686 30 10 IJEE C[C@H]1[C@@H](C(F)(F)F)N(c2cccc(Br)c2C#N)CCN1C(=O)OC(C)(C)C 2174817533 POKAKXQCEKUOAE-NHYWBVRUSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180964425 YCHXKTPZJZLKNW-WBVHZDCISA-N 436.350 4.733 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)CCCc3ccc(Br)s3)C2)OC1(C)C 2189212330 KVARMJATAUXDBT-UHFFFAOYSA-N 440.212 4.623 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2Oc2cc(Br)cnc2C#N)C1 2198825926 CTZKZCNINOJIRN-YLJYHZDGSA-N 436.350 4.664 30 10 IJEE C[C@H]1[C@@H](C(=O)Nc2ccc(C#N)cc2Br)[C@H](C)CCN1C(=O)OC(C)(C)C 2200686343 LOWPVFQVWKDRII-IGCXYCKISA-N 436.350 4.541 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@](C)(CNC(=O)OC(C)(C)C)C(F)(F)F)NC 2212102898 IRDMEVXXHOFQIR-GHTZIAJQSA-N 430.511 4.831 30 10 IJEE C#CC[C@@H](C)C[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428208 JYKWJJMOIKUOPG-AHRSYUTCSA-N 437.422 4.913 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)CC(F)F)c(C)c1B1OC(C)(C)C(C)(C)O1 2247801596 DWCQDQZAJCOWJU-UHFFFAOYSA-N 435.345 4.572 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2255604535 GIUDPJPTWJKXOG-CALCHBBNSA-N 430.354 4.522 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 2261825678 GRCJTRFXHIOZFG-VXKWHMMOSA-N 437.580 4.778 30 10 IJEE C=CCC1(Nc2nc(OC)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2265775735 BMIRIVNUNQLQDI-UHFFFAOYSA-N 426.355 4.610 30 10 IJEE CC1(C)OB(C2CC(C(=O)N[C@H]3CN(Cc4ccccc4)C4(CCCC4)C3)C2)OC1(C)C 2267575548 FHBYKYFHHPAABT-LZBANZJXSA-N 438.421 4.562 30 10 IJEE C=CC[C@@]1(COc2cc(Br)cnc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2287766368 YNPPRZVNCSQYNL-HXUWFJFHSA-N 436.350 4.688 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H](C)CN1C(=O)OC(C)(C)C 2296221649 KLQGZECHLOMIPX-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@@H](O)C#Cc2cccc(Br)c2)cc1 2296223501 ALNYTLFPMLEUGB-FQEVSTJZSA-N 430.342 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(N)C#Cc2cccc(Br)c2)C1 2296270938 BNLDYLLMRYHVEK-LRXVAGHRSA-N 433.390 4.555 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1(C)CC1 2296286450 LNBWTEQOPSMQKQ-MOPGFXCFSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2296294562 VTGZXJJEZOLLJD-UYAOXDASSA-N 437.422 4.966 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296294700 XBWBMGOWTACGQY-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE COc1cc(Br)cc(C=C2SC(=Nc3ccccc3Cl)NC2=O)c1O 2297312800 WKRAWGFUKRDPMA-UHFFFAOYSA-N 439.718 4.708 30 10 IJEE CCN[C@@H](C#Cc1ccc(C(F)F)nc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2301931454 UHRORZONAYNSFN-FQEVSTJZSA-N 429.511 4.786 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1OCc1ccccc1Cl 2321755906 SVARNLHMQNEKHU-UHFFFAOYSA-N 442.850 4.709 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1OCc1ccccc1 2321958782 KTDOUJJSDCHEOT-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1OC 2323069280 NKMTYDRBTRKIDS-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE CCCCCCCCCOc1ccc(C=NNc2nncc(O)n2)cc1Br 2323283103 OCVAKUOSGSNLTA-UHFFFAOYSA-N 436.354 4.915 30 10 IJEE CCCOc1c(Cl)cc(C=Nn2c(S)nnc2COc2ccccc2)cc1OCC 2323557571 BJYCDJUNYPRXEU-UHFFFAOYSA-N 446.960 4.869 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(C=CC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2323908040 LUJJZBNOTYHJBL-UHFFFAOYSA-N 427.453 4.530 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2N=Cc2ccc(Cl)c(Cl)c2)o1 2325652627 UCYXADPWWWGJLI-UHFFFAOYSA-N 425.297 4.529 30 10 IJEE CCN(CC)Cc1ccc(COC(=O)C(=O)C=Cc2ccc(Br)cc2)cc1 2325722381 FXULJXLFGDZCKF-UHFFFAOYSA-N 430.342 4.617 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2N=Cc2ccc(C(C)C)cc2)cc1C 2328801575 ADSAFRPPKOFLGW-UHFFFAOYSA-N 438.597 4.954 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1N=Cc1cccc(OC)c1OCC 2329674392 HPJNALCZTAEINP-UHFFFAOYSA-N 430.599 4.916 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SC)cc1OC 2329699634 QJWOAVKRLJYRQF-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccncc1 2330084440 YIHRVIRJZRPKEA-QGZVFWFLSA-N 444.520 4.908 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1F 2330819282 CDEHJLCFCLUFEB-UHFFFAOYSA-N 443.523 4.758 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2)cc1[N+](=O)[O-] 2331085440 LHXGGUGQRYLCCJ-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccccc1C 2331351582 GWHIGFSGOSIFLF-IBGZPJMESA-N 435.597 4.781 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2331443904 LOUSXAWQZARTNI-UHFFFAOYSA-N 441.436 4.714 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)C#Cc1cccs1 2338389680 KFFJVWAHAAWPDY-KRWDZBQOSA-N 434.355 4.567 30 10 IJEE CC[C@H](NC1CCN(Cc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514011 WMZSGIGGSCKQRI-VWLOTQADSA-N 434.433 4.691 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(F)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2363117568 KWBGHAHMFFELNG-KRWDZBQOSA-N 441.385 4.759 30 10 IJEE COc1ccc(C2=NN(C)C(=N)/C2=N/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 3767650 WQDPRXQCCGHKOQ-XTZCWSSXSA-N 443.351 4.828 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)/C=C/c3ccccc3Cl)nc12 12289468 JFMJKEVHQDVAGH-ZHACJKMWSA-N 443.894 4.915 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1ccc(C#N)cc1F 13106568 CJAKPKUGCVNAOU-LJQANCHMSA-N 437.298 4.892 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 34954357 JRTBFFVMAOYYNG-RIYZIHGNSA-N 433.416 4.727 30 10 IJEE N#Cc1ccc(-c2ccc(OS(=O)(=O)c3cnc(Cl)c(Br)c3)cc2)cc1 35551193 DCEKBAMZZSPLDR-UHFFFAOYSA-N 449.713 4.804 30 10 IJEE CC(=O)Nc1cc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Cl)cc2C)ccc1C 46128584 UUVLUWVOFSQROK-UHFFFAOYSA-N 449.942 4.708 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 100221870 JTHUBVVPDRCYAN-QFIPXVFZSA-N 448.579 4.621 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@@H]1c1cccc(C)c1 169967053 DBPGQHRHAGHHOP-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 170054112 DXCMWVRDVPYKMY-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170077476 GAVWQFYGTDFYTR-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2C[C@@H](C)O[C@H](C)C2)C1=O 170095007 MCCKZBSEQXMWDR-NHCUHLMSSA-N 426.601 4.853 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)c(C)c1 170132961 RIICHKFYHRUOAU-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccn2)cc1C 170172154 QSJGNGVXCPPDAS-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(F)cc2)cc1 170239852 RXRXJCBBKHMDRG-NRFANRHFSA-N 432.407 4.825 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(O)c1 170260386 JHFIDNJOAYVFHJ-OFNKIYASSA-N 449.547 4.755 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)c1 170274666 OKRMOQJAQHRDKL-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(C)o2)c1 170297852 VPZXXCVZACKODR-HSZRJFAPSA-N 445.471 4.705 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(C)o1 170305600 RIGGYOPEWMLGNS-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311392 HANPOVPVAHKXJM-GOSISDBHSA-N 426.469 4.579 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2sccc2C)c1 170313149 QBSOYDTTZKYMLY-HXUWFJFHSA-N 443.565 4.849 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2sccc2C)c1 170405070 JVMBYEJPLMFGTH-SFHVURJKSA-N 441.530 4.918 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(O)cc1 170450272 GIGXMXVCRVCMPB-HXUWFJFHSA-N 433.426 4.922 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1cccc(Oc2ccccc2)c1 170457287 DXEIXMNTEOPNJH-JOCHJYFZSA-N 436.552 4.741 30 10 IJEE COc1ccccc1N=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1CCCSC 254311408 FAMHJGNOTHYJSR-IMQDXXIXSA-N 443.550 4.961 30 10 IJEE Cc1ccc(C=Nn2c(N)c(C(=O)Nc3ccc(C)cc3)c3nc4ccccc4nc32)cc1 254797324 FISLSDPMAGGQJJ-UHFFFAOYSA-N 434.503 4.918 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCc1ccc(C2CC2)cc1 484607620 ZQPGOOMDRYQWOU-UHFFFAOYSA-N 439.515 4.578 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)Cc1cscn1 508507443 HYJTTXCWIFXVHU-UHFFFAOYSA-N 435.528 4.942 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 508876892 ZIUQWPFIWUBULF-UHFFFAOYSA-N 440.469 4.956 30 10 IJEE CCCC(CCC)N(CC1C[C@@H]2CC[C@H](C1)N2C)S(=O)(=O)c1ccc(F)c(C#N)c1 525461773 JAYFUJLTXIDKPT-PRJVBOEPSA-N 435.609 4.530 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 526605354 AYQMOTNLUAKJBN-QFIPXVFZSA-N 427.416 4.532 30 10 IJEE Cc1cc(C)c(C#N)c(SC2=C(N3CCCCC3)C(=O)N(c3ccc(C)c(C)c3)C2=O)n1 526695133 YMZNALVMCNVWST-UHFFFAOYSA-N 446.576 4.550 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 555247237 IABSRTPIHGHFCS-UHFFFAOYSA-N 432.528 4.628 30 10 IJEE COc1cccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)c1 586090648 DNNXDLCJKMSJLV-BLYKJWJCSA-N 435.568 4.517 30 10 IJEE C=CCN(Cc1cccc(C(=O)OCCC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586132150 IAPIRQFXHNNYLA-UHFFFAOYSA-N 442.364 4.937 30 10 IJEE N#Cc1ccc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(F)c1Br 715062575 OKDDCBQNBAUMJO-OALUTQOASA-N 428.349 4.951 30 10 IJEE Cc1nc(-c2ccsc2)ccc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 726229365 CGXULYGDWDVZFW-CYBMUJFWSA-N 437.546 4.724 30 10 IJEE N#C[C@H]1CN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CCN1C1CC1 732649095 OYLFZZPCTVBGPY-SFHVURJKSA-N 435.524 4.677 30 10 IJEE CCCOc1ccccc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CC)C1=O 743523889 FDMKQCYJXLMRCQ-HXUWFJFHSA-N 443.544 4.903 30 10 IJEE CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc1 744033607 WJSOUIQHQBOLJG-FFWXCITRSA-N 444.409 4.633 30 10 IJEE C#CCN(C(=O)CC1CC(OC(C)(C)C)C1)[C@H]1CCOc2ccc(Br)cc21 754551625 NLBCWRKPXBBJFV-KVWWFHCMSA-N 434.374 4.718 30 10 IJEE C=CCCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 769745550 MIFHWHWYYRADCH-NRFANRHFSA-N 448.548 4.580 30 10 IJEE N#Cc1ccc(C(=O)OCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1Cl 778542798 LPDQHIIRZHKUAO-JOCHJYFZSA-N 430.891 4.543 30 10 IJEE N#Cc1ccc(NN=C2C(=O)Nc3c(Br)cc(Cl)cc32)c(C(F)(F)F)c1 799491272 DMGWEMYBMNOFSH-UHFFFAOYSA-N 443.610 4.761 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 806273349 VUMCYHGECVJXGC-OAQYLSRUSA-N 433.552 4.970 30 10 IJEE C#CCOc1c(Br)cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc1CC=C 1084056302 ANYYOMSBERJFPP-UGFLLLHASA-N 433.371 4.502 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003684 WHHGNDMTZKWMPS-YKSBVNFPSA-N 437.580 4.940 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C)c1ccc(F)cc1 1129602583 GKOZNKIAPMUBKV-HXUWFJFHSA-N 440.316 4.554 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 1141446002 ZBPFHEQGLSJDJB-LJQANCHMSA-N 435.528 4.609 30 10 IJEE C=CC1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)CC1 1146653721 ZJVFHQDOARSSSH-UHFFFAOYSA-N 426.582 4.868 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1)C(=O)OC 1155476194 XCWBDJIAIINLIO-MRXNPFEDSA-N 432.542 4.876 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 1165507988 KFUWRQZRGKKCKF-FBMGVBCBSA-N 442.515 4.732 30 10 IJEE Cc1cc(C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)ccc1Br 1169536750 CWQHLFJZCCDHCH-UHFFFAOYSA-N 426.358 4.837 30 10 IJEE C[C@@H](c1ccccc1)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 1170581640 AZLDNTATTVFLFA-NRFANRHFSA-N 435.531 4.946 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)CCc1sccc1-2 1178312596 NSFDXXLSAYBVQQ-LBPRGKRZSA-N 439.990 4.945 30 10 IJEE C#C[C@@H]1COCCN1C(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(OCC)cc1 1196995347 VAKLHZSWSCAEQZ-MRXNPFEDSA-N 434.414 4.762 30 10 IJEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(Cc2ccccc2)c2ccccc2)cc1 1203384035 CHJCMISGUFNADQ-CLOONOSVSA-N 447.560 4.652 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc2n1 1220157857 YKMWRACHQQYIPL-QHCPKHFHSA-N 429.565 4.673 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(CC)CC)c1ccc(Br)cc1 1221086101 OHFROSUHEKNCLD-RTWAWAEBSA-N 428.374 4.506 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C)c1ccc(Cl)cc1F 1221596420 OKIZFPCEVQTUDY-LRTDBIEQSA-N 428.870 4.847 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)c(OC)c1 1265975125 PBLRAPSZHACZGM-UHFFFAOYSA-N 431.357 4.975 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)c2ncc(Br)s2)s1 1277848537 CHUOKFCVSVBBSW-UHFFFAOYSA-N 438.825 4.721 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCCO1 1286279730 XDRZKOXWDFQITA-NLWGTHIKSA-N 430.980 4.715 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN(C)C1CCCCC1 1286280090 ZLEGAMLAVZKACF-WOJBJXKFSA-N 441.595 4.670 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCCC 1286324687 OZALOCUSFVLQRL-FQEVSTJZSA-N 431.625 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOCC(C)C 1286420335 CZUAQYRXHWQBEG-UHFFFAOYSA-N 438.641 4.801 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286428546 NFVDNDARVUHBCU-WOJBJXKFSA-N 444.501 4.634 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCc2cc3c(cc2C1)CCCC3 1286541807 NCJRIGCCZCPLDL-UHFFFAOYSA-N 429.406 4.827 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2[nH]c(C)c(C)c2c1 1286562321 KNNWNEIWNSWETF-UHFFFAOYSA-N 436.604 4.745 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)S[C@@H](C)C1)c1ccccc1 1286619720 VGDBXDJDBGMNKY-IRXDYDNUSA-N 425.627 4.677 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 1286648663 GUUJVVMQQGRLJX-SFHVURJKSA-N 432.515 4.848 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1286656859 QFHNKMOWIKPRRT-KSFYIVLOSA-N 445.405 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1286660451 LWLILSOUNLXECJ-UHFFFAOYSA-N 432.572 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@](C)(OC)C1 1286667458 KBHQMIHSWMJNAZ-VWLOTQADSA-N 434.588 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1286674655 TWKFOZHBDSWZFU-AREMUKBSSA-N 438.616 4.681 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC12CCOCC2 1286753490 DKPJBILCBJLKRS-KRWDZBQOSA-N 443.389 4.703 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC1(N(C)C)CCCCC1 1286767308 NPRMIAIIOXYACL-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1286769553 ABNCELXJXQYUHO-RTBURBONSA-N 445.558 4.823 30 10 IJEE C#CCN(C(=O)c1cc(I)ccc1F)[C@H]1CCCc2ccccc21 1289233521 RUOLSTFWOOUGHM-IBGZPJMESA-N 433.264 4.583 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC=CC[C@H]2C)c1 1289698151 OCVLMFDPYFPEFV-VGOFRKELSA-N 444.984 4.806 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(C)C 1291878112 WDYAWCXWOWJMGT-QFIPXVFZSA-N 444.583 4.791 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@H](C)OC)n2)C1 1293388980 FJDUTRZMKKJYSZ-DLBZAZTESA-N 436.585 4.655 30 10 IJEE CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 1294020521 GKCTWVNALLVBCB-UHFFFAOYSA-N 429.572 4.947 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCC[C@H]21 1300362994 WAHPHRHKEFPTGJ-TZIWHRDSSA-N 441.620 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(SC)CCN(C)CC1 1300917931 QAZMCBBKGCGMET-UHFFFAOYSA-N 448.080 4.752 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1cc(C)ccc1OC(F)F 1300918745 HDQOBEVDSKADMM-UHFFFAOYSA-N 427.499 4.624 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1300973264 UTSDUWCPZQXOOC-SFHVURJKSA-N 443.979 4.794 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(C)CC1 1300980094 KLSKUTMZIVOCNT-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1301049633 CBMSMZXJYAJKPP-NHCUHLMSSA-N 429.008 4.990 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301203179 UYYZDYOCGNDAJN-NANJZHHASA-N 430.980 4.635 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](COC)C1 1301209150 NDOBSBIBKKYAPL-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301214876 KCNZUZDVJALSJG-FYYLOGMGSA-N 430.600 4.796 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)n1 1304454066 FNLKFMIURRKDEJ-ISKFKSNPSA-N 444.583 4.608 30 10 IJEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1305604089 CCNRCOKYJJLTTE-XMSQKQJNSA-N 434.613 4.950 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC3(c4c(Cl)cccc4Cl)CC3)ccc2c1=O 1306725340 KCJPVDUBFXWCRE-UHFFFAOYSA-N 446.359 4.597 30 10 IJEE C=CCn1c(SCC(C)(C)C(=O)OCC)nc2cc(-c3ccccc3)sc2c1=O 1307273823 HYMPNYDCGWQIEY-UHFFFAOYSA-N 428.579 4.992 30 10 IJEE CCOc1ccc(NC(=O)c2ccc(NC(=O)COc3cc(Cl)cc(C#N)c3)cc2)cc1 1307349356 DXYBNHYXGDZEJD-UHFFFAOYSA-N 449.894 4.880 30 10 IJEE CC(C)(C)c1csc(NC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1C#N 1310783342 HRCPHVVIHLBVAT-UHFFFAOYSA-N 438.597 4.520 30 10 IJEE C=CCC[C@@H](NC(=O)NCCc1ccc(I)s1)c1ccccc1 1311831684 RYOJPLLBIGFLMB-MRXNPFEDSA-N 440.350 4.902 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)c1ccc(F)c(F)c1 1312534726 HKKCBSDSFPBFQA-VQTJNVASSA-N 437.531 4.965 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(Br)cc1 1312937609 REAUGFVRMIDXSI-SJLPKXTDSA-N 438.325 4.854 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)c2ccccc2c1 1353929367 HICHZKGAAKRLLA-UHFFFAOYSA-N 436.353 4.678 30 10 IJEE C=CC1(CC(=O)Nc2sc(C(=O)OCCOC)c(C)c2C(=O)OCC)CCCCC1 1355551718 RBJWFYSTQCYQIC-UHFFFAOYSA-N 437.558 4.502 30 10 IJEE C#CC[C@]1(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1356312515 GMIPTPZAJRVEKM-XMMPIXPASA-N 432.992 4.818 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCC(C)CC1 1358872392 UFLZELRJVZCKFT-GMAHTHKFSA-N 437.632 4.615 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1358933413 SLWROCMWEBAAFL-UHFFFAOYSA-N 447.530 4.979 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCSC(CC)(CC)C1 1359129574 GGWXYXFNWQCVQH-UHFFFAOYSA-N 430.618 4.658 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)c2nc(C)cs2)CC1 1359179701 CPFMVWDAQDPMCB-QGZVFWFLSA-N 437.613 4.849 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)c2c(C)noc2C)CC1 1359179712 CQQVMVDEQIWWOK-OAHLLOKOSA-N 441.526 4.958 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCSC2)CC1 1359182158 UTUFYURTLRPZBO-HXUWFJFHSA-N 442.629 4.801 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1359186903 WTPOTNJNGDDZHI-GMAHTHKFSA-N 446.599 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1359190719 AFZGGLJDHOHOML-IBGZPJMESA-N 431.625 4.574 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC1CCC(F)(F)CC1 1359256860 RWFOOZABYZLLOA-NRFANRHFSA-N 441.526 4.672 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(NC(=O)NC(C)C)cc1 1359264123 VFENLCCMHXMKCH-UHFFFAOYSA-N 438.601 4.673 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(F)F)c1 1359279370 CZRGXMVFRFSRIZ-UHFFFAOYSA-N 433.890 4.618 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2Cc3cc(Br)ccc3O2)C(F)(F)F)cc1 1436240419 URMNDZRAHZVIRA-SJORKVTESA-N 425.200 4.581 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 1441945972 HALCCVQOKQCHCF-UHFFFAOYSA-N 436.552 4.750 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N[C@H](C)c2ccccc2)c1 1449412821 SKMJIDXLKINTGW-LJQANCHMSA-N 432.545 4.909 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F 1461408834 ZDOPRXYCZQKQGQ-KRWDZBQOSA-N 443.950 4.916 30 10 IJEE C#CCOc1ccc(CN[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1 1461810816 JNHQZDWPPDXEMB-KCWPFWIISA-N 448.563 4.692 30 10 IJEE N#Cc1cc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c(F)cc1F 1462276188 BPTGNRZHLMWIFJ-UHFFFAOYSA-N 425.395 4.537 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)c1 1465627086 QOQXZIQWEOHHQD-NRFANRHFSA-N 433.474 4.922 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1)c1ccc(Br)cc1 1468849474 RZOYJSPYEWRERZ-VQTJNVASSA-N 444.348 4.539 30 10 IJEE C=CCn1c(SCC(=O)c2cscn2)nc2cc(-c3ccccc3)sc2c1=O 1472955853 JYHLCFSJXCJQPF-UHFFFAOYSA-N 425.560 4.743 30 10 IJEE Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1473233882 AOVTUGAZEMEKOD-SFTDATJTSA-N 439.991 4.705 30 10 IJEE C=CCC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1473317500 WCJJSUPGUQQDSY-LJQANCHMSA-N 442.459 4.684 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1nc2c(OC)cc(Br)cc2s1 1477198342 SGVOZDBDKBCSTG-UHFFFAOYSA-N 432.299 4.723 30 10 IJEE C=CCC1(CNC(=O)NCC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCCC1 1478629296 FYTBJXVXHJSDQJ-NRFANRHFSA-N 429.605 4.948 30 10 IJEE C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1478678574 BBACJYVNWDOWFC-BAGYTPMASA-N 445.579 4.916 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Nc2cccc(C)c2)CC1)c1ccc(Br)cc1 1478897066 UZVSYTXEPQICCN-NRFANRHFSA-N 426.358 4.718 30 10 IJEE CCc1cnc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)s1 1498189269 AXUAICAKGDXTSA-UHFFFAOYSA-N 426.977 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cl)c(OC)c1 1507760875 ASMYVBJBIZSSIP-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCCCC1 1507771900 ISVFVBZQUDTHHZ-JOCHJYFZSA-N 445.032 4.911 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1507815307 AYXWLAQUACPNAJ-VQTJNVASSA-N 433.547 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507821582 AMKXBHSJNTVSKZ-VJANTYMQSA-N 444.542 4.773 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1507829417 WWIHWHJFFNIYBJ-SFTDATJTSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1507847030 DRAIVACWHXKVOX-ISKFKSNPSA-N 438.616 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1507912549 IVIJBYVFDUBVJN-UHFFFAOYSA-N 441.583 4.531 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCOC1 1507956316 JBALOCJUPRIWEU-OAHLLOKOSA-N 425.360 4.603 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@@H]1C 1507998047 JODPLHPRDUXUFK-IFXJQAMLSA-N 442.361 4.818 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1508003039 REYBQROIYNMTPY-AHWVRZQESA-N 445.611 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1nccnc1C 1508015475 XRMLJZCHXHLOIS-QGZVFWFLSA-N 434.613 4.651 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1508152961 VITXUEJSXLMGON-RTWAWAEBSA-N 428.646 4.991 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)CCCC1 1517926242 CIPFMDYHXMTLHU-UHFFFAOYSA-N 433.478 4.555 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1ccc(Br)cc1Cl 1519460546 SZASZABFGKWISJ-UHFFFAOYSA-N 428.717 4.780 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1523597433 YLQAZHCXPDNWQE-QFIPXVFZSA-N 426.582 4.858 30 10 IJEE C#CC[C@@]1(C(=O)N(CC)Cc2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1524828456 WQCSNEVMPORELT-QFIPXVFZSA-N 449.389 4.591 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1 1525685262 JQDGRVYBWNWUCA-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE Cc1ccc(OCCC(=O)Nc2ccc(C#N)c(Br)c2)c(Br)c1 1525724683 BRQJHOPPNHZMJY-UHFFFAOYSA-N 438.119 4.799 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)C1 1526527190 RHNMGLKWOCQIFC-NSHDSACASA-N 446.807 4.753 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1526856172 DRBSOXXOPPBLOY-FLIBITNWSA-N 431.677 4.795 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1529665520 DAKHSBGDMMNZHD-BCHFMIIMSA-N 433.552 4.656 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(I)cc1OC 1532324705 JPQGDWCKGOQOQM-IAQYHMDHSA-N 433.717 4.818 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1537398922 JKWTVRXPHHXRJO-QGZVFWFLSA-N 444.453 4.598 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CCCN1C(=O)OC(C)(C)C 1539390619 VGUSTYZQBJBVNQ-BKMJKUGQSA-N 443.632 4.605 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccsc1 1539497949 PFBRLKBOITVMES-INIZCTEOSA-N 430.574 4.622 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1CCCC1 1539592560 GUHIVPPDQYMNHM-UHFFFAOYSA-N 441.377 4.666 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1539611568 AXHGEMVAYLTEAU-OAHLLOKOSA-N 445.283 4.693 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1cccs1 1539624156 QMUSBUWBVIXHPF-IFMALSPDSA-N 433.581 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(C(=O)C(C)C)CC1 1539912769 REPSPFFNRFFBPO-UHFFFAOYSA-N 448.615 4.723 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1540007600 UMDFGWOOBNVJEZ-UHFFFAOYSA-N 436.579 4.704 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)N1CCCCC1 1540056935 ZTOGQTQUSCWTBA-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(Cl)cc1 1540070718 CYPGXXBVPXPWNQ-UHFFFAOYSA-N 445.995 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1Cc1cccc(Cl)c1 1540187660 SYBQITWYKPBCMX-UHFFFAOYSA-N 433.943 4.794 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1OC 1540992734 YHWRANSBWCZLMY-KXXOPMGUSA-N 434.580 4.822 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)C(C)C 1544402086 FJQCMINJKSOJPZ-MRXNPFEDSA-N 443.391 4.786 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C 1545342591 SYCGFRHWNZWWHL-INIZCTEOSA-N 434.924 4.582 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCc1cc(F)cc(OCc2ccccc2)c1 1562441949 UGTUWZORKRTZTJ-UHFFFAOYSA-N 436.458 4.920 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)c1ccc(Cl)cc1F 1562464608 LNLRBDFSIKJJTD-HXUWFJFHSA-N 437.858 4.866 30 10 IJEE Cc1ccc(Oc2ccc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)nc2)cc1 1568490084 DDEVFGCJIBRBEE-DEOSSOPVSA-N 446.938 4.858 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@@H](C3CCOCC3)C2)s1 1583367650 YKPMSPXMUJTETO-QGZVFWFLSA-N 429.051 4.894 30 10 IJEE CCCN(CC)C(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc1 1584151053 AUOWETZPBRAUGA-UHFFFAOYSA-N 426.520 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@@H](c2cccc(F)c2)C1 1585924522 HZCPXGIRNIXSIJ-HXUWFJFHSA-N 443.906 4.785 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1587773225 FLXJOKVCCSHPDU-FQEVSTJZSA-N 437.588 4.960 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC[C@@H](OCC)C(C)C 1589242656 FCATULQZCXSTMB-ZJSXRUAMSA-N 445.007 4.954 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccccc1 1589391167 XBEUGYPGBUUGSF-HJOGWXRNSA-N 443.547 4.792 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)CC1CC(F)(F)C1 1593852041 JQDPCSYGFWZGGX-UHFFFAOYSA-N 440.922 4.977 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C)o1 1593879364 QZGRDZSAXRPIQB-QGZVFWFLSA-N 449.983 4.683 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1594071061 XUOGWUFMNAHFGE-UGKGYDQZSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCC(C)C)CC1 1594091049 RYXYYICMXACHSP-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)c1cc(C#N)c(SC)nc1O 1598150716 YOABSPQPGPYJIF-UHFFFAOYSA-N 449.532 4.762 30 10 IJEE C#CCN(C(=O)COCCc1ccc(Br)cc1)[C@H]1CCCc2ccccc21 1611224229 YKEZGDCPJPEVIT-QFIPXVFZSA-N 426.354 4.548 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H]1CCCCO1 1611291742 DLRGWCRLRMOSQL-IEBWSBKVSA-N 427.618 4.973 30 10 IJEE CCc1cccc(C)c1Nc1nnc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 1613409558 BZSVOGOJIZLBIT-SFHVURJKSA-N 435.578 4.922 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2CC)C1 1616615197 HPXKBDDFSDKGJI-QNWVGRARSA-N 437.588 4.560 30 10 IJEE COc1ccc([C@H](C)CCn2c(-c3cccc(C)n3)nnc2N2CCC(C#N)CC2)cc1 1619152685 COGYDAWGCYKLTD-GOSISDBHSA-N 430.556 4.591 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)c(OC)c1 1621583753 GOUHGNDLHXYAKV-UHFFFAOYSA-N 426.490 4.992 30 10 IJEE CC[C@H](CN(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1 1622035732 BPEIPVAJXSEGGJ-CYBMUJFWSA-N 447.771 4.997 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 1623038892 WYUODOZYJYNSKI-UHFFFAOYSA-N 443.519 4.949 30 10 IJEE C#C[C@H](C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1625828470 LODFDVJYDKMMAO-AFMDSPMNSA-N 438.527 4.713 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](c3ccccc3)C3(CO)CCOCC3)c2)cc1 1627665817 AAQOINAVZIFXOC-VWLOTQADSA-N 441.531 4.562 30 10 IJEE C=CCC1(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)CCCC1 1632565686 ASKWIVTWOYUCDV-UHFFFAOYSA-N 434.945 4.921 30 10 IJEE C=CCCC1(CNC(=O)CCC(=O)c2ccc(I)cc2)CCCC1 1632775561 OORJUWFEIYGBOQ-UHFFFAOYSA-N 439.337 4.897 30 10 IJEE C[C@H](CC#N)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1633299512 GOVVJBBVRSRAAD-IQGLISFBSA-N 439.515 4.685 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc3ccccc3n2-c2cccc(OC)c2)cc1OC 1633884105 XWLYBOJPKKPYLP-UHFFFAOYSA-N 429.476 4.860 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Br)c1ccc(Cl)cc1F 1636572112 XZQBJTPOIVHQPT-QGZVFWFLSA-N 427.676 4.897 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCc2cc(OC)c(OC)cc21 1636779881 VLPCEZJYWZNOIW-WOJBJXKFSA-N 446.588 4.837 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)cc1OC 1640259525 KJYWSXPJQVWWRU-ZMOVQZPESA-N 426.944 4.569 30 10 IJEE Cc1c(C#N)c(S[C@H]2CCc3cc(Br)ccc3NC2=O)nc2c1CCC2 1640761942 BLDSVRPVHLJFAN-SFHVURJKSA-N 428.355 4.559 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C(C)C)nn3Cc3ccccc3)n[nH]2)c1C 1644121112 WNXSQPSYSLPOBE-UHFFFAOYSA-N 443.555 4.697 30 10 IJEE C#C[C@@H]1CCCCN1CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 1655826109 BHPFCMYIOWSJSV-JOCHJYFZSA-N 426.564 4.891 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](CC(=O)OC(C)(C)C)CC(C)C 1657711950 SXOJADJBUJQDQE-KRWDZBQOSA-N 438.406 4.945 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN[C@H](COc2ccccc2F)C(C)(C)C)cc1C 1657952192 HVXJINDZTNDLKY-HSZRJFAPSA-N 425.548 4.773 30 10 IJEE CCc1ccc(-c2noc([C@H](C)NC(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)n2)cc1 1661200833 GXKCSXZOGZHABM-LBPRGKRZSA-N 445.401 4.952 30 10 IJEE C#Cc1ccc(NC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C)c(Cl)c1 1664989743 LUZSTBZAWFEMHE-MRXNPFEDSA-N 431.964 4.965 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 1665597328 BSGQQZFAUBHNBN-IBGZPJMESA-N 433.474 4.851 30 10 IJEE C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 1666622492 OAGGHRNILIYJQS-OAHLLOKOSA-N 438.318 4.557 30 10 IJEE COc1ccc(C(C)(C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1OC 1667890635 ANFXUYUTCSDJEE-UHFFFAOYSA-N 446.507 4.862 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCc1coc(-c2ccc(OC)cc2)n1)c1ccc(F)c(F)c1 1667986460 RNNQRJNNTLFWGQ-OAQYLSRUSA-N 427.451 4.788 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(C)C 1668082423 YSHLNYMKIDGDTE-KRWDZBQOSA-N 437.466 4.576 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1C(F)(F)F 1669385457 AXCOOPTXESQHEE-OAHLLOKOSA-N 446.903 4.786 30 10 IJEE N#Cc1cc(NC(=O)NC[C@@H](O)c2c(F)cccc2Cl)ccc1Oc1ccccc1 1670536401 CCNHRKXVYYKGFH-LJQANCHMSA-N 425.847 4.998 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1 1671027557 TWNRTBNIQVWJOH-UHFFFAOYSA-N 445.342 4.854 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)cc(F)c1OC)c1ccccc1 1671199809 VQEJXKVKVNCZIR-KRWDZBQOSA-N 442.350 4.973 30 10 IJEE C=CC(C)(C)CNC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1672787251 HGSYDRGQZXCSKN-IBGZPJMESA-N 443.588 4.791 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCC[C@H]3c3ncc(Br)cn3)cc21 1674685339 UKHUGHOWPCRQAO-KRWDZBQOSA-N 441.333 4.534 30 10 IJEE N#Cc1cccc(C2(NC(=O)Nc3nc4c(OCC(F)(F)F)cccc4s3)CC2)c1 1675396747 ANDHPJOKRQTVNY-UHFFFAOYSA-N 432.427 4.920 30 10 IJEE Cc1cccc(Oc2ccccc2CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1677214692 GQYSATLBWQAEPX-UHFFFAOYSA-N 426.520 4.691 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C)Sc1ccc(Br)cc1 1678668656 UDYXCPSKOKQUEA-HNNXBMFYSA-N 435.362 4.914 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 1682317062 FRVRMCOCTFXXQE-IBGZPJMESA-N 444.760 4.992 30 10 IJEE C=C(C)[C@@H](NC(=O)N(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)c1ccc(F)c(F)c1 1686174225 ZYXFTNNBELXDAZ-DNVFCKCGSA-N 430.495 4.803 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1)[C@@H]1CCCO1 1686184606 MFHCHSJWTYLRCU-GOTSBHOMSA-N 440.971 4.858 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCCN1CCCC 1689861522 WNYPYLBQQOGDNS-PKTZIBPZSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C(C)C)CC1 1689876968 NNLKISPWWJCLCU-QHCPKHFHSA-N 437.632 4.759 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N(C)CCC1CC1 1690225093 ZQLHNCKVAZZBAC-UHFFFAOYSA-N 440.183 4.853 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1cscn1 1690237850 BPXRDOMYMJZAOA-HJNYFJLDSA-N 437.613 4.894 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)CCC(F)(F)F 1690337182 GQHRPLCJECGYTQ-UHFFFAOYSA-N 432.874 4.884 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cnccc2OC)CC1 1690364714 VYSYUQBTJWJDBA-FQEVSTJZSA-N 433.556 4.643 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccccc2F)CC1 1690417178 HYENSYBIQJCBOI-IFMALSPDSA-N 426.580 4.981 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2CCCCCC[C@H]21)C(C)C 1690583362 IGYPSKUADUHGAD-OLKYXYMISA-N 441.664 4.987 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccccc1 1692658644 BFNLLSBHBMHUBA-BVZFJXPGSA-N 449.624 4.922 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCSC2)c1C 1692886194 GTQNZQUFXNYBAH-MISYRCLQSA-N 427.618 4.917 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@H](C)C1 1695729247 HDUMHKFZSJPXNT-UYAOXDASSA-N 435.597 4.762 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc(C2CC2)cs1 1705477621 QLVAZVVBJSAZOA-AEFFLSMTSA-N 435.597 4.875 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@H]1CC 1705526643 MXXKCRWCWJEPGK-DNVCBOLYSA-N 431.378 4.754 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1sc(C)nc1C 1705576876 SDSKVIUUNZBOKR-UHFFFAOYSA-N 449.649 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705595436 SUNPRZQBMIHQBZ-GBXCKJPGSA-N 443.595 4.731 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1705667003 ZTZGOHWWGODICB-NQIIRXRSSA-N 428.577 4.522 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705721080 KVSVBIYPRVTNCZ-VQTJNVASSA-N 440.588 4.524 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705722049 RJVDCNKKRTWHFE-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCCCO)CC1 1705765212 CKROOPLTLDENHT-UHFFFAOYSA-N 433.394 4.725 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2c(C)cccc2C)CC1 1705777076 WRCSUHYYCFQYJH-AREMUKBSSA-N 438.616 4.581 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(F)F)CC1 1705786632 UOXXFXCRXIPXFA-FQEVSTJZSA-N 431.575 4.809 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705801072 RRPSEDBOFCYLIW-XLIONFOSSA-N 430.980 4.969 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOC(C)(C)C1 1705803581 VVVSHFTXCKSTFQ-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1705804248 UQNNWMSEYQZDCP-PBYQXAPXSA-N 425.602 4.575 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1705832191 PVWIHEZEOUQYIO-VWLOTQADSA-N 440.563 4.916 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@@H](C)C1 1705860476 IPPHJGCHCXERAP-UGKGYDQZSA-N 447.608 4.810 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCSC1 1705878819 BLCXDDRZVZLGFF-IBGZPJMESA-N 438.597 4.925 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)nnc1C(C)(C)C 1705949791 JMQUQAGBPVMZHR-GOSISDBHSA-N 430.593 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(C)(F)F)cc1 1722276611 FHPPGIQQETVPDW-CYBMUJFWSA-N 448.315 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)Cc1cccs1 1722291982 LWHGVFLHLQANSM-QZTJIDSGSA-N 431.565 4.998 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1sc(C)nc1C 1722346259 NOUNQPASDITKLH-UHFFFAOYSA-N 425.627 4.661 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](c1ccccc1)N(C)C 1722404978 IGRRZDDPTTZSLX-KNQAVFIVSA-N 447.652 4.894 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H](CC)N1CCCC1 1722421637 JIYCXEVRIUQHII-XMMPIXPASA-N 437.607 4.664 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCc2[nH]c3ccccc3c2CC1 1722477956 MXUOOXRPEVTGEM-AWEZNQCLSA-N 428.378 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cnn(C)c1C 1722516359 YNHSFAIUNMJBPO-UHFFFAOYSA-N 436.604 4.782 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1722536249 MBEAEOWNYDHNID-NRFANRHFSA-N 440.519 4.832 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1722550045 FJAAQVPWJWXTSR-UHFFFAOYSA-N 439.922 4.639 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2csc(C)n2)CC1 1722575016 VXXIWJFZXHQQPN-MRXNPFEDSA-N 441.576 4.967 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1722575751 UYXLOQHNNUQKHF-UHFFFAOYSA-N 443.473 4.818 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCN(C)CC(F)(F)F 1722660463 WHMWSAIOLXDEMP-UHFFFAOYSA-N 439.501 4.762 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCCCCC2)nc1 1722668729 YLQQYTXXILOGTC-UHFFFAOYSA-N 432.572 4.849 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1723784465 CDDNHTZHFVGLJH-FDKIHUSFSA-N 445.652 4.776 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN(C)[C@@H](C)CC)C1 1729257063 HIUXBPITYZMKSD-YUXAGFNASA-N 440.661 4.657 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCC[C@H]1C 1740539357 OSNQRDNGEIYWJQ-HSALFYBXSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1740555930 DKDGKGGNPQFDAZ-ACRUOGEOSA-N 438.616 4.818 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCCC(C)(C)C)c1 1740564164 CXVBLOVXNMPAKH-UHFFFAOYSA-N 435.616 4.893 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)COC 1740647445 SXBBDRRHHSMZQN-MRXNPFEDSA-N 426.973 4.559 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCc1csc(C(C)C)n1 1740667991 XWBUGLBTGFSDGS-UHFFFAOYSA-N 432.597 4.719 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccccc1 1740746901 RVRLXZXGXQWHEC-AWEZNQCLSA-N 432.391 4.740 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(O)(CCC)CCC)CC1 1740817739 RLOMQFQAPSRTRC-UHFFFAOYSA-N 439.604 4.635 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2cccnc2)CC1 1740833616 UQUIEGUADJDCNH-FQEVSTJZSA-N 447.583 4.857 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1740867161 ZSJIDTKWAQLSAN-JOCHJYFZSA-N 428.552 4.748 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@@H]2C1 1740868051 CFKOICFPHCTIKZ-UYAOXDASSA-N 429.996 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740869799 ZZRYIUQXACWALE-HKUYNNGSSA-N 444.421 4.655 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1c[nH]c2cc(C)ccc12 1740893158 ZJSFYZOGWNOTKU-UHFFFAOYSA-N 439.361 4.690 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCC1(C)C 1740915467 HPZABTVPNFRJAZ-FQEVSTJZSA-N 432.572 4.763 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)nc1 1740934380 DBKFJGWFSZHMFB-UHFFFAOYSA-N 448.615 4.837 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740943538 VEYUWPAREMGRAN-SESVDKBCSA-N 439.604 4.746 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(SC)CCC1 1748655353 VZUJRCVFQZNPQH-SFHVURJKSA-N 436.581 4.861 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](CC)C1 1748703398 ZZNCFQKGIJCXMH-AWEZNQCLSA-N 439.448 4.904 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1748723838 AJHZIQRQQIDGHG-CALCHBBNSA-N 431.378 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCCC[C@@H]1CC 1748867862 NKTIMLPHEKSJQI-DQEYMECFSA-N 431.628 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1csc(CC)n1 1749137228 XBRUBNWFQFQHMX-GCJKJVERSA-N 429.634 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(c2ccccc2F)C1 1749163846 QLFCZPZMWXPDDV-HXUWFJFHSA-N 439.604 4.998 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1749174960 JKTDSDFGHWMDJD-UHFFFAOYSA-N 445.354 4.666 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1749345472 JNPRFJVHYFKTLL-NRFANRHFSA-N 431.625 4.574 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCOC(F)F)CC1 1749346838 BRGHOQBWCZAGOI-UHFFFAOYSA-N 426.895 4.542 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2ccco2)nnc1[C@]1(OC(C)C)CCOC1 1749377161 MYENPUBCUVLUPF-CYFREDJKSA-N 428.577 4.856 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CCC)C1)c1ccccc1 1749384622 FBQVOKDWPBMECP-DNQXCXABSA-N 448.615 4.505 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC(N)=O)CC1 1749390703 ILCOIBRHXIXOBA-UHFFFAOYSA-N 441.645 4.724 30 10 IJEE C=CCCCCn1c(N2CCC[C@H]2CSC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749408067 FBBOCHIXWBRZHO-OTWHNJEPSA-N 449.665 4.737 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(SC)CCOCC1 1749474162 XPENOXQBHHWITO-INIZCTEOSA-N 432.659 4.666 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOc1ccccc1OC 1749614468 ZFJNYFRFWSEFQV-KRWDZBQOSA-N 438.597 4.841 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCSC2(C)C)C1 1749717046 GALJUZBEBKKTTC-YADHBBJMSA-N 440.657 4.766 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccccc1C 1749761152 VWTSLNKLETZFOB-JOCHJYFZSA-N 436.629 4.709 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@H]1CCCCO1 1751245636 IFXXPWQCSCZNIJ-WSTZPKSXSA-N 429.540 4.645 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@H](C)c2nccs2)cc1 1751584694 AFQBTGNTTWWLOI-KRWDZBQOSA-N 438.626 4.879 30 10 IJEE CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1752494154 ANWIBUPPICMNKN-UHFFFAOYSA-N 449.628 4.653 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC1(COC)CCCC1 1760103307 CKRHEFLELCEHOK-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1760305065 QSWYTILRJKAFIV-AWEZNQCLSA-N 447.406 4.585 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1760308495 HDIMGBIBHOUHIZ-UHFFFAOYSA-N 449.441 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC(C(F)(F)F)CC1 1760326575 XZQDFIDJQCNAEH-KNQAVFIVSA-N 448.533 4.937 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760366854 KKRPIBAGJNBKAF-LEWJYISDSA-N 444.023 4.705 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1760424077 VNRBRHWAZUAQKN-UHFFFAOYSA-N 425.577 4.606 30 10 IJEE C=CCCCCn1c(Nc2ccn(C)n2)nnc1-c1ccc(OC)c(Br)c1 1760430782 TZKXQZXPUQUBAY-UHFFFAOYSA-N 431.338 4.550 30 10 IJEE C=CCCCCn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760430835 VQAWXKNJJRJUJO-UQBPGWFLSA-N 442.579 4.938 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760439537 KKZMSLCPJDDYDL-UHFFFAOYSA-N 445.995 4.546 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCCC1 1760480839 GWQWGIPQPRNXEQ-UHFFFAOYSA-N 430.600 4.716 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760501489 RSJAVCWZGPTUPT-SFHVURJKSA-N 439.629 4.934 30 10 IJEE O=S(=O)(c1cccc(-c2csc(NN=Cc3ccccc3F)n2)c1)N1CCCCC1 1772723814 IOGWXRWUVTZQDS-UHFFFAOYSA-N 444.557 4.570 30 10 IJEE CCc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)cc1 1858839134 NRFBDJKKHVGLOI-MRXNPFEDSA-N 429.480 4.566 30 10 IJEE N#Cc1ccccc1NC(=O)Cc1ccc(NC(=O)c2ccccc2Br)cc1 1859126063 OEHZVTZSTYGMJE-UHFFFAOYSA-N 434.293 4.754 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)Cc4ccc(F)cc4)cc3)CC2)c1 1860706097 YJWDACHGFIOOPW-UHFFFAOYSA-N 442.490 4.865 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)/C=C/c4ccco4)cc3)CC2)c1 1860706635 GECDSEDQYZZJJN-ZHACJKMWSA-N 426.472 4.790 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 1860731158 AHZRTCNDOGBKTK-KRXBUXKQSA-N 432.167 4.708 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861210485 XOMMLGMXHQKJMC-FYYLOGMGSA-N 447.639 4.799 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1ccccc1Cl 1862429059 FICNNGQYJLKLSR-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)c1 1862446991 FZEAZIAWOZALMY-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 1862489573 COLOFMWWMKADBS-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCC)c(OCC)c1 1862497464 LAIXPNILJFYTCI-HSZRJFAPSA-N 435.520 4.865 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862507668 QMEMYKMJUAQAEA-JOCHJYFZSA-N 425.500 4.836 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccccc2Br)cc1 1862540028 DOEPDHGQPOAXBO-IBGZPJMESA-N 428.326 4.998 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862562800 OGDNWIJVPPDNOV-IBGZPJMESA-N 443.286 4.947 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)OCO2 1862626483 CPFPPBAIZMAELE-QFIPXVFZSA-N 437.467 4.856 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863361843 BBJSMUAEWVEEJL-UHFFFAOYSA-N 428.463 4.783 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1cccc(F)c1 1864828035 HBNCSMCRGLQVCX-OAQYLSRUSA-N 442.579 4.912 30 10 IJEE CCCC[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1ccccc1C#N 1866705092 ZQGZIGYAQJLCOC-NOZRDPDXSA-N 440.547 4.593 30 10 IJEE C=CCOc1cn(Cc2ccco2)c(CNc2ccc(Br)cc2C)cc1=O 1870810982 BELBRAWRSXBOEX-UHFFFAOYSA-N 429.314 4.737 30 10 IJEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2cccc(N(C)C)c2)cc1=O 1871007342 XNCQJHGIJZJOQI-UHFFFAOYSA-N 429.564 4.561 30 10 IJEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)cc1 1871349608 YXOYXVXCPLGMQJ-JLPGSUDCSA-N 448.563 4.648 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O)C(=O)Nc1ccccc1 1871404060 HYXJEYXOXJPRMV-WMWHPZEKSA-N 428.488 4.775 30 10 IJEE O=C1/C(=C/c2ccccc2)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 1871434801 YNKCJPUCKKMMKN-UYOCIXKTSA-N 431.400 4.657 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1C 1871458627 DSSQWZGVFUSHNV-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871677869 WDXBVWVVWPAFEU-UHFFFAOYSA-N 435.016 4.740 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871802875 JDBLQNRFHSLTAA-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871949429 PKFUQKXKCSIUJW-SFHVURJKSA-N 445.343 4.727 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(C)(=O)=O 1872203329 ATUGBMHLTDLUDK-QFIPXVFZSA-N 446.638 4.560 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872447482 FHNPVXXUPOGUHI-GOSISDBHSA-N 434.989 4.859 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)c(F)cc2F)C1=O 1873243846 QCRARQNIMZBYBG-AWEZNQCLSA-N 447.416 4.929 30 10 IJEE Cc1ccc(C(=O)N2[C@H](C(=O)Nc3ccc(C#N)cc3)CS[C@@H]2c2ccccc2)cc1 1873867780 XRYWRMKRHNJBPH-WIOPSUGQSA-N 427.529 4.762 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(OC)cc3OC)c(=O)oc2c1 1873930749 HCVJWWNCGBBPQS-UHFFFAOYSA-N 437.492 4.645 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1Cl 1874405344 TXTOFRBCCMFUFN-BUVRLJJBSA-N 448.036 4.897 30 10 IJEE COc1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1[C@H]1CCCO1 1874445918 OFKCWWDLTUOCRY-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1F)c1ccccc1 1874468484 KDQFRTIFUHQTEF-FRQJIFLKSA-N 449.511 4.529 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2)c1C 1874483512 ZNUNJAKHUQLOKS-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2sccc2C)cc1 1874516464 YEBOEVHIMKCPHW-WSDLNYQXSA-N 425.583 4.701 30 10 IJEE O=C(COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1)NCc1ccco1 1874578351 JKQSOLJHVWWXMJ-CSKARUKUSA-N 440.293 4.633 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)cc2)cc1Cl 1874631385 ZHFSNHKHLGJYJM-JXMROGBWSA-N 432.900 4.831 30 10 IJEE CCCCCCCCC[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882520882 CJLGMQFVXZVVMG-XBBWARJSSA-N 425.591 4.644 30 10 IJEE CCN[C@@H](C#Cc1nc(C)cs1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1900803488 BNNQYTNKIITRGN-OAQYLSRUSA-N 427.614 4.999 30 10 IJEE C=CC1(Oc2cc(NC(=O)OC(C)(C)C)ccc2N)CCN(C(=O)OC(C)(C)C)CC1 2021693702 XXSFFLGBNRVKRE-UHFFFAOYSA-N 433.549 4.950 30 10 IJEE CCCC[C@@H](CC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2060632827 GNEHHBPCFICJCT-ROUUACIJSA-N 438.418 4.545 30 10 IJEE CCN(c1cc(Br)c(C#N)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 2118192589 QPOCQOHXASGZAE-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE C=CCC1([C@H](NC)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2142155401 JXIYYJUCQJPCEK-MRXNPFEDSA-N 431.321 4.801 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(c3cc(Br)cc(F)c3C#N)C[C@]2(C)C1 2174810979 SEPUGRGJOFNWAG-WOJBJXKFSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3cc(Br)cc(F)c3C#N)C[C@H]2C1 2206330224 NYSKSZMTAMMKPA-GZBFAFLISA-N 438.341 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@@H](N)C#Cc1ccc(Cl)cc1 2212455219 RYTUZMYLBNJODF-FCHUYYIVSA-N 428.960 4.519 30 10 IJEE C=C(C(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221679063 DRCRKJDWBCXESN-INIZCTEOSA-N 426.427 4.888 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@H](O)c1cc(C(F)(F)F)ccc1Br 2228061198 XYXCPGGRXYJVCJ-ZWKOTPCHSA-N 430.264 4.602 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2cc(Br)nn2CC)C1 2232484548 KHMVKHCOQFTZIK-KRWDZBQOSA-N 441.414 4.567 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2ccccc2Br)C2(CCCC2)C1 2235718107 COSWQJHZWZTDBU-KRWDZBQOSA-N 432.358 4.797 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 2235721478 IVUZMUYONOIDKY-RTBURBONSA-N 437.422 4.964 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2235733181 NZJSIWWCKBXBAA-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@H](N)C#Cc3ccccc3Br)c2C1 2235736586 ZIHURBOAICNCFU-HXUWFJFHSA-N 427.342 4.751 30 10 IJEE C#CC[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2244548012 JGEPFJNUVKJHPO-RXFWQSSRSA-N 444.575 4.954 30 10 IJEE CCCN(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2248027895 BMUCNKJWMRJOCQ-UHFFFAOYSA-N 431.744 4.831 30 10 IJEE Cc1nc(C(=O)N(Cc2ccccc2)c2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2255643904 XYRYXENMNFEUCW-UHFFFAOYSA-N 434.370 4.598 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@H]3CCCCCN(Cc4ccccc4)C3)CCC2)OC1(C)C 2255798952 YVMJXKSBDPTJGD-NRFANRHFSA-N 426.410 4.564 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](N)C2 2285831869 VKHYPSYXNHSCOE-LRWSGUAYSA-N 434.378 4.990 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2289683489 FJMZPTJAWNSUMJ-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296226616 HEQUJJHUOWUKHH-PMACEKPBSA-N 428.326 4.528 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(CC(=O)C#Cc1cccc(Br)c1)C(F)(F)F 2296232253 LYOXPWHXGBFHTQ-GOSISDBHSA-N 448.279 4.853 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296300157 DOVPUPPCBSBJFC-FFGOWVMKSA-N 433.390 4.567 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(OCC(=O)OC(C)C)c3C)C2=O)c2cc(OC)ccc21 2296871960 OFXZGFNLUWJCKP-UHFFFAOYSA-N 449.503 4.925 30 10 IJEE COc1cccc(C=CC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)c1 2318732726 TXVWDDGDSOSUCO-UHFFFAOYSA-N 437.503 4.878 30 10 IJEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2cc(OC)c(OC)cc2OC)C3=O)C1 2322371103 WXKVIHNDZXTGKE-AWEZNQCLSA-N 439.508 4.587 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 2323648490 ILIYFTKBFOFZHO-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323790880 RKPKZPNARQCUSF-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)cc1 2323970498 ICVLZKAEXQLXJD-UHFFFAOYSA-N 434.469 4.689 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c1 2324400475 ICSOHXXEGUOSHB-INIZCTEOSA-N 445.471 4.726 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccccc2)ccc2c1OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324405632 BLDXMGVXIVDHQR-INIZCTEOSA-N 444.443 4.925 30 10 IJEE Oc1ccc(Br)cc1C=Nn1cnnc1SCc1c(F)cccc1Cl 2325669250 COVYGEMINQCIMC-UHFFFAOYSA-N 441.713 4.713 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc(C)cc2)cc1OC(=O)[C@H]1CCCO1 2325738104 LWZYZXRJBHLCCN-LJQANCHMSA-N 445.309 4.747 30 10 IJEE CC[C@@H](N[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511686 GORBVESLZRWAQZ-YLJYHZDGSA-N 446.441 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@H]21 2339539382 GZEDJITUAOGPKP-CEXWTWQISA-N 441.381 4.536 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339603452 AKMUKVYTYHUHFF-HHNLSAEISA-N 444.381 4.751 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@@H]4CN(Cc5ccccc5)C[C@@]4(C)C3)nc2)OC1(C)C 2365055945 SSKBSNGRANZBEK-HOFKKMOUSA-N 445.416 4.685 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCCN[C@H]1C(F)(F)F 2370259268 WYZXGUOYLABZBR-RHSMWYFYSA-N 448.283 4.767 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)c(Br)c2)c1 9925688 MFZGYIGCZSHSQV-SFHVURJKSA-N 432.314 4.824 30 10 IJEE C=CCOc1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 14039179 MRFRTLMXCZXHCC-UHFFFAOYSA-N 441.119 4.794 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470883 GXQNYXQETXPZMF-ZOCZFRKYSA-N 445.928 4.539 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N/c1cccc(C(=O)O)c1 16928847 FALLCUBNJJTADW-RLYGRLLTSA-N 438.505 4.582 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)Nc1ccccc1 21078471 COQLJBSUERODRG-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE CCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccc(C)cc3)cnn21 64874228 LLYWYRGFRQPQJI-DEOSSOPVSA-N 442.519 4.865 30 10 IJEE C=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1 66096225 VQFHPYWDPDOCPV-UHFFFAOYSA-N 443.547 4.964 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCOC(C)C 169948397 PULSHFXPMYBYPN-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949874 PVCBHCZSAMEBML-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@@H]1c1cccnc1 170012768 GFYGFWMOEPIMNK-XMMPIXPASA-N 442.515 4.794 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1OC 170091815 BSHVPVHCPXBHQK-QFIPXVFZSA-N 445.427 4.826 30 10 IJEE COc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 170112152 QKPNPGBMNKTJDA-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 170129807 NWSNCKMZFDYHMP-QHCPKHFHSA-N 434.536 4.591 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143449 WXLGJUPZYLZHAJ-UPVQGACJSA-N 449.547 4.787 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccs2)cc1 170153933 WQELGUDPFSPWBQ-NRFANRHFSA-N 435.501 4.938 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)c1 170162723 OKXXYGWHLWOHSL-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1C 170169933 YHOBJOMGIBPZQM-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)cc1C 170185034 NHCWKMQZKCHWNS-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(OCC)c1 170218015 WOMGRRRXXHDXGY-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCC2)c1 170218876 BXPJHJAMGZYAAG-LJQANCHMSA-N 426.538 4.680 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)cc1OC 170222702 NCHYWCORMSKXBW-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)ccc1Cl 170230632 XIRCBLNNHKDHPW-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)c(C)c1 170234163 SQOINXKJIJZWTB-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)c1 170239137 DABQWKWZSPVUSZ-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F 170248046 KOZCERDXNIVGCH-NRFANRHFSA-N 439.389 4.895 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170254498 ZCZBAJDLNUSRPQ-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1sccc1C 170315400 RUKTWTFJKYPJHY-OAQYLSRUSA-N 447.512 4.919 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 170367750 QKLPEBMMHKHVTC-NRFANRHFSA-N 434.879 4.786 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170414966 HBKBMRGFEUCQKN-QFIPXVFZSA-N 436.552 4.773 30 10 IJEE CC(C)COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2cccs2)cc1 170476680 UPDOXBJXBXQSGU-IBGZPJMESA-N 427.522 4.686 30 10 IJEE CCOc1cc(C=NNC(=S)Nc2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 254875127 XBYFANRMCMBSKB-UHFFFAOYSA-N 449.532 4.634 30 10 IJEE N#Cc1cc(Oc2cccc(NS(=O)(=O)c3ccccc3)c2)nc2ccc([N+](=O)[O-])cc12 443438299 DZTWKRRVPYTJMN-UHFFFAOYSA-N 446.444 4.608 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 460777000 YMCWQYZLFXRFRB-QFIPXVFZSA-N 445.464 4.934 30 10 IJEE N#Cc1c(NC(=O)c2c(F)cccc2I)sc2c1CCCCC2 471102501 ZTDMRJVUFRQNNQ-UHFFFAOYSA-N 440.281 4.885 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](C)c2ccc3ncsc3c2)nnc1-c1ccco1 485677040 YAADEMANRPQADI-CQSZACIVSA-N 439.566 4.693 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](c2ccsc2)C1 508728365 ACXZIGNOYUEOOT-LAUBAEHRSA-N 440.569 4.642 30 10 IJEE N#Cc1ccc2c(c1)N(C(=O)CSc1nnc(-c3ccco3)n1C1CCCCC1)CC2 516881401 ZHMIHDXALASUIY-UHFFFAOYSA-N 433.537 4.596 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc1OCC 526801380 NNIRJBQCVKDSBT-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@H](CCOC)C1 564494920 HPPPBLIMVPMYEG-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=CCn1c([C@@H]2COCCO2)nnc1N(Cc1ccc(-c2ccccc2F)s1)C(C)C 580130656 FEDJSZGOFJEZIZ-FQEVSTJZSA-N 442.560 4.835 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1F 586259126 XGOOJUINBGDTEQ-UHFFFAOYSA-N 448.878 4.894 30 10 IJEE Cn1c(O)nc2cc(C(=O)[C@H](C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)ccc21 603627702 BXJUHZKWUMPXHI-NMARRSBVSA-N 432.549 4.693 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)N3CCc4cc(Br)c(Cl)cc43)on2)c1 619127638 QMEGZXNFHMYOHM-UHFFFAOYSA-N 428.673 4.832 30 10 IJEE COc1ccc(-c2ccc(/C=C\C(=O)c3ccc(C(F)(F)F)nc3O)o2)c([N+](=O)[O-])c1 731563527 RQVCJGAHRMNFTM-CLTKARDFSA-N 434.326 4.879 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 735344171 FEYZTIKAZHUPIC-UHFFFAOYSA-N 443.837 4.552 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)ccc1OC 745820249 RTBMSSZAXCRQBC-PWIZWCRZSA-N 425.529 4.960 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)CCCN1C(=O)OC(C)(C)C 792529544 CZJFVLRGKFBANQ-DEOSSOPVSA-N 427.545 4.628 30 10 IJEE CCCCC(C)=NNc1nc(SCC(=O)Nc2ccc(C)cc2Br)n[nH]1 1084408124 AUYNBCCMXNRFDY-UHFFFAOYSA-N 439.383 4.584 30 10 IJEE COc1ccc(C2=NNC3=C(C(=O)c4ccccc43)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 1088710682 CDBGQKSAAOJQOD-OAQYLSRUSA-N 440.499 4.801 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)cc(OC)c1OC 1125544759 QMHRVGJYLXOFKM-LJQANCHMSA-N 430.342 4.541 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1127570779 ZCWSZHCJCIENTH-BWKNWUBXSA-N 426.532 4.671 30 10 IJEE Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(OC(F)F)c(C(F)(F)F)c3)c2n1 1128592726 ATMSNAACPHGPPJ-UHFFFAOYSA-N 436.287 4.848 30 10 IJEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1130668303 HESZYEDHKBXHTA-NJDAHSKKSA-N 443.547 4.854 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(I)c(Cl)c1 1134435003 ILAGSGWRXUQFKS-UHFFFAOYSA-N 443.668 4.770 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 1137809133 TXDCSYGHOGAELP-FUHWJXTLSA-N 436.984 4.743 30 10 IJEE C=CCSCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 1154100772 RUMQPCYMZQPDGY-UHFFFAOYSA-N 425.337 4.600 30 10 IJEE C=CC1(CC(=O)NCc2cccc(OCc3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 1157319700 ZPTCYOSYLGCHLV-UHFFFAOYSA-N 436.552 4.695 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(C)c(Br)c(C)c3)ccc2c1=O 1161288423 BHOOTCOLOVXWFB-UHFFFAOYSA-N 444.354 4.503 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCCC[C@@H]1/C=C\c1ccccc1 1168144749 GZPKEXWJBMLRLI-DHOHLHFPSA-N 425.536 4.640 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCCC(C)C)nc2cc(-c3ccccc3)sc2c1=O 1188423636 OUULKOCMUBVBMG-MRXNPFEDSA-N 441.622 4.954 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCCC1 1192468342 NPJAMROHXCPJFZ-QGZVFWFLSA-N 427.994 4.560 30 10 IJEE N#Cc1cccc(CS(=O)(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)c1 1213154421 GGUXEAQTNLEVCA-NRFANRHFSA-N 428.966 4.751 30 10 IJEE O=C(NCCN1CCCCCC1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1219254295 FMDYPIVSGPYQOH-UHFFFAOYSA-N 429.380 4.974 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1248702456 YSVWTXGHMXYWMT-LJQANCHMSA-N 437.531 4.667 30 10 IJEE C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccc2c(c1)OCO2)C(=O)NCCc1ccc(C#N)cc1 1252977383 IDADPZQDBQLPDW-SELNLUPBSA-N 433.552 4.866 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)CC2)cc1 1253965280 FWMGBOJHDFLPFQ-HXUWFJFHSA-N 426.923 4.519 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1264778581 HNDISHYGARCUFV-IBGZPJMESA-N 448.445 4.759 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2ccccc21 1286306369 SVLKXYSIJKGLBO-UZKOGDIHSA-N 449.599 4.538 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1c(C)noc1C 1286356227 DKZSGXXSAZAYES-UHFFFAOYSA-N 448.354 4.819 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)c1cccs1 1286416955 SZRQYJRTJGYHEK-UHFFFAOYSA-N 438.984 4.623 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCCC[C@@H]2CC)CC1 1286662281 DIOIOENTUMRVCQ-QHCPKHFHSA-N 437.632 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(c2ccnn2C)CC1 1286675168 MCTXOTJAXSFDKI-UHFFFAOYSA-N 448.615 4.885 30 10 IJEE C=CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CCC)c1ccccc1 1286679299 NHNNOBOFZUQDLG-ICSRJNTNSA-N 435.572 4.991 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286695795 JGBUWYHKBRAVAR-IBGZPJMESA-N 445.901 4.816 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1csc(CC)n1 1286764779 ZSWXCWQGWGNAGO-UHFFFAOYSA-N 434.569 4.544 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccnc(SC)c2)C1 1286805499 SORGRYRJNNNFQW-IBGZPJMESA-N 441.988 4.545 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1c(CC)noc1C 1300637567 FVXGDFFHFFENPC-UHFFFAOYSA-N 435.572 4.521 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC[C@H](COC)C1 1300742309 DUFCTHAINSZSDF-FQEVSTJZSA-N 440.657 4.862 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H]1CSC 1300742850 CGCRXHDAHMOUOI-AEFFLSMTSA-N 446.711 4.830 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1300751098 FKYJAXJPLZMVIZ-OALUTQOASA-N 442.629 4.591 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCCC(C)(C)C2)CC1 1301087395 GCXYISJYYSTYAH-UHFFFAOYSA-N 428.024 4.801 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](c2ccsc2)N(C)C)CC1 1301095497 IIWYOVSOZPQGKI-HXUWFJFHSA-N 441.576 4.517 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cnccc2OC)CC1 1301113641 BBLDRORDKXDKAL-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1301139927 XQEYNCNBTFHXKI-MHECFPHRSA-N 428.552 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C)C1 1301141703 PYQNNCJNUDQROL-CQSZACIVSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1301162734 ATDQUHLMPZCUPK-JOCHJYFZSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1301182773 LZSULQGDTITNLN-FQEVSTJZSA-N 429.927 5.000 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1N(C)CCCC1(C)C 1301278769 QGSAGCDXSZMVFZ-OAHLLOKOSA-N 438.439 4.512 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)c(Cl)c1)C1CC1 1301317125 OXUJFUHTLABLRT-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCC1 1301351240 NNWTZYZDJPENPU-JOCHJYFZSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@H]1C(C)C 1301363315 QSIQUJYFDYEWBW-VWPQPMDRSA-N 444.645 4.877 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2Cc2cc(Br)cs2)C1 1301546468 SELSFZCNMJDELI-QGZVFWFLSA-N 445.386 4.599 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)c1ncc(C)s1 1302718784 AUYKVPMWFALOQQ-HOTGVXAUSA-N 440.642 4.963 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1303065511 DZTUQPQJUJARAU-PXDATVDWSA-N 437.636 4.617 30 10 IJEE C=CCC[C@H](C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccccc1 1303262679 NZQCOGJKLXKLCX-VXKWHMMOSA-N 442.600 4.659 30 10 IJEE C[C@@H]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1304964801 GOIGFUBSFIITMB-STXHMFSFSA-N 432.341 4.586 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CC[C@@H]1CCO[C@@H](C)C1 1315660234 BRXOOJMJKNFWAN-CEXWTWQISA-N 443.617 4.523 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2cccc(F)c2)c(C(=O)OCC)c1C 1349733783 JBXLMWALHJFXEG-CYBMUJFWSA-N 433.501 4.847 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 1349910669 MOZZGKFCYSCEGS-NRFANRHFSA-N 436.936 4.667 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)C)CC1 1359093621 PVUBRVOMQRIGCM-RBBKRZOGSA-N 444.023 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1c(F)cccc1F 1359096360 AFEFRAYZYFLISD-KKSFZXQISA-N 427.499 4.559 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1359120324 XAEJBYSFQLPZIE-UHFFFAOYSA-N 443.382 4.858 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359129141 SDDLFLWKBCJBSO-FQEVSTJZSA-N 432.996 4.975 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1359180904 XISVBZJYDWSFGI-UHFFFAOYSA-N 441.601 4.684 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 1359221701 LDPVBWMPXSWFHK-OAQYLSRUSA-N 439.604 4.612 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(c2ccccc2)CCC1 1359233032 ODXWNOQJKLPHDV-UHFFFAOYSA-N 440.389 4.790 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1C[C@H](C)O[C@@H](C)C1)C1CC1 1359245966 LAXVXEYLFULJFF-OALUTQOASA-N 437.588 4.506 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCN(C)C1CCCCC1 1359256384 DRVSXCDCBGLFNZ-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H]1OC 1359262264 NLFBKAFXUPDMBY-IRLDBZIGSA-N 433.581 4.886 30 10 IJEE Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 1360996342 HPLDLXDDQYYMNY-UHFFFAOYSA-N 427.483 4.878 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C(F)(F)F)n2nc(C)cc21 1436181255 XPYIBRIKXNISIB-HNNXBMFYSA-N 433.352 4.929 30 10 IJEE C#CCOc1ccc(CNC(=O)c2c(C)n(Cc3ccccc3)c3ccc(OC)cc23)cc1 1436300076 PAARSPDKNUJXOR-UHFFFAOYSA-N 438.527 4.949 30 10 IJEE C=CC1(CC(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)CN(C(=O)OC(C)(C)C)C1 1441564064 RCMQYCOGSRWCED-IBGZPJMESA-N 427.589 4.813 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 1443048143 FAGBXSLNNRJYFC-LJQANCHMSA-N 427.501 4.720 30 10 IJEE C=CCCC(C)(C)CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1454584320 RFFHJIDHBCRAAC-SFHVURJKSA-N 439.369 4.692 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)c1ccccc1 1471200533 OYPXXTUGYCGIGK-OAQYLSRUSA-N 427.495 4.530 30 10 IJEE C=CCCCSc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1 1472910997 WYLAMIIAGGCSNW-UHFFFAOYSA-N 441.622 4.516 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 1475384827 JBLPHKGWIIKQBT-CQSZACIVSA-N 448.304 4.934 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1476344754 MSMFHQPVHBDOTH-QGZVFWFLSA-N 429.314 4.900 30 10 IJEE C#CCN(C(=O)Nc1scc(C)c1C#N)[C@@H]1CCOc2ccc(Br)cc21 1476558837 KDLPTEBDZVAHIO-MRXNPFEDSA-N 430.327 4.682 30 10 IJEE C=CCCCCCCNC(=O)N1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1478605981 PXYZJBMXBSLRDF-RTWAWAEBSA-N 437.625 4.617 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 1478806644 LNMFKIVKLSVZIX-LPHOPBHVSA-N 426.866 4.879 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCN(C)C(=O)OC(C)(C)C 1495099395 COVBMRMNFUYVLN-GOSISDBHSA-N 440.592 4.557 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)C)n1Cc1nc(C(C)C)cs1 1504872622 FDMCTBDWRUORPT-UHFFFAOYSA-N 438.601 4.554 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1507554776 XNUQQQYMSJJXMA-LJQANCHMSA-N 431.378 4.545 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCc1ccc(Cl)s1 1507602749 PVCGYAPVGDSIKN-INIZCTEOSA-N 444.988 4.844 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2ccccc2F)C1 1507665007 RYKIMXZAWOKEGY-WGSAOQKQSA-N 433.918 4.714 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C1CC1 1507679863 SDEPMEDRKJIDFF-RBUKOAKNSA-N 444.023 4.631 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccnc1)C(C)C 1507703174 RAGIEQCXSZACPZ-DNQXCXABSA-N 447.558 4.743 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1507779331 NEOVEYXEZQSEAP-AQNXPRMDSA-N 445.405 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(OC)c1 1507818462 MWHKFXPMSSXBOI-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCC(=O)NC 1507910704 BAJCSFASZUJWHC-UHFFFAOYSA-N 446.020 4.988 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1507926087 ATJNVJOWAINQMI-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1507939920 VDIUQKSAYINVFR-OAQYLSRUSA-N 437.613 4.762 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1507961956 JQFAYJMKVLMQGI-UHFFFAOYSA-N 431.462 4.718 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1=CCCCC1 1507979130 OPOAGJBMHPTLFT-FQEVSTJZSA-N 429.609 4.905 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1508037212 GQHNZFUZTGDCAF-DHIUTWEWSA-N 440.632 4.988 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[S@@](=O)C(C)(C)C 1509947497 AMQOOGCHZQIITD-XHDOVSQSSA-N 447.674 4.561 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(c2ccccn2)CCC1 1520282539 HDLWQGILSBDKMB-LJQANCHMSA-N 446.624 4.911 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCS(=O)(=O)Cc2cccc(C)c2)c1 1520606439 GSOZRJCMVQMFCR-UHFFFAOYSA-N 431.557 4.515 30 10 IJEE Cc1nc(SCC(=O)N2CCN(C3CC3)c3ccc(Cl)cc32)c(C#N)c(C)c1C 1523503658 HRSSYYANNGVURT-UHFFFAOYSA-N 426.973 4.640 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1 1525208540 FCTRASPFNGGWLP-UHFFFAOYSA-N 433.474 4.583 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)OC(C)(C)C 1525655029 DHYUMGDKXYIAOC-HXUWFJFHSA-N 426.488 4.976 30 10 IJEE COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cccc(CC#N)c2)c1 1525925253 CPEDDXKFTBASGM-UHFFFAOYSA-N 431.517 4.744 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(NCC)c([N+](=O)[O-])c1 1527807132 LEFRBGVUOSYMMM-UHFFFAOYSA-N 436.281 4.757 30 10 IJEE C#C[C@H](NC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)c1ccc(Br)cc1 1528087912 JAPMCOICRYHMPB-KRWDZBQOSA-N 438.243 4.870 30 10 IJEE COc1ccc([C@@H](NC(=O)c2ccc(F)c(C#N)c2)c2ccccc2)cc1Br 1528459202 BKHWOHRAMGYSHY-NRFANRHFSA-N 439.284 4.988 30 10 IJEE C=CCc1ccc(OCC(=O)N(C)c2nc3cc(Br)ccc3s2)c(OC)c1 1529036844 JNCYMRUPYXVCMW-UHFFFAOYSA-N 447.354 4.838 30 10 IJEE C#CC[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1530735030 LJVXTVXELJPWBS-OJLMNSMJSA-N 440.543 4.888 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3c(s2)CCc2sccc2-3)CCCN1C(=O)OC(C)(C)C 1535443447 BFTFLNHNCUBXLH-JOCHJYFZSA-N 443.594 4.702 30 10 IJEE C=CCN(C(=O)c1cc2c(N(C)C)cccc2s1)[C@H](Cc1ccccc1)C(=O)OCC 1537325074 IAJMKHZCLCRMKR-OAQYLSRUSA-N 436.577 4.770 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC(F)(F)C1 1538991892 GIXQEZYPSRYPAV-IRXDYDNUSA-N 432.515 4.634 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@H](SC)C1 1539078264 WCMXRYCOZYZARW-QFIPXVFZSA-N 426.630 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)C[C@H]1CC 1539636730 LYMAVEFNMWQHEC-NWFVXXGESA-N 430.543 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1539646207 SDLLMUPKGBJOLB-XXBNENTESA-N 442.629 4.579 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCCC1 1539728521 HXJYHCYVWFEGBQ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2cc(Cl)cn2)CC1 1539827838 AYKZBZWHGFVJLV-MRXNPFEDSA-N 447.370 4.778 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(C)C)c2)CC1 1539891663 ILTBWAGDCZBKLZ-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1539926706 RXIFMKRODLGHPU-JOCHJYFZSA-N 447.583 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccccc3)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1539928831 JAPNHAWVSXZUQN-QTISVLPJSA-N 438.616 4.915 30 10 IJEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(F)(F)F)cc1C)C1CC1 1540115173 ULZGNRMMRGXNFI-UHFFFAOYSA-N 444.505 4.670 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCNC(C)=O 1540154240 SLKCKXCJCSVLJC-UHFFFAOYSA-N 429.977 4.518 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)c2nc(C)cs2)C1 1540887872 FSOWTVPIDDGRDW-DOTOQJQBSA-N 444.004 4.948 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3Cl)n2Cc2nccc(C(F)F)n2)C1 1541988867 AUZMJHLQMYJARP-NRFANRHFSA-N 443.889 4.504 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NCCc2ccc(Br)s2)cc1 1542278400 FSFOOLGGKUOUJY-UHFFFAOYSA-N 441.350 4.934 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)ccn1 1552474222 GHGRAFROAPHQPD-UHFFFAOYSA-N 440.523 4.608 30 10 IJEE CC(=O)c1cc(F)c(O)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1558460900 NKMQXLAJZXRNJH-UHFFFAOYSA-N 439.283 4.789 30 10 IJEE C=CCn1c(SC[C@H](OC)[C@@H]2CCOC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1559307990 VVXVMDFBKVXXTB-MJGOQNOKSA-N 442.606 4.763 30 10 IJEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccc(CCC)cc1 1561260842 OSEYUDUJGKWMJW-FQEVSTJZSA-N 448.382 4.549 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)cc1 1562197955 XXZUKLBLPVBZPP-OFNKIYASSA-N 441.597 4.589 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1562268870 SGTMLEFLJRIQHL-JXFKEZNVSA-N 447.457 4.979 30 10 IJEE Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@H]1C(=O)O[C@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]21 1565537973 FLCVPFHJPVPDPQ-DOZLYEKZSA-N 448.607 4.970 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1583695505 FVEADSLLXYMYMP-JOCHJYFZSA-N 440.609 4.557 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ncc(C)s2)CC1 1587738786 IFKCCZQWXAOALS-UHFFFAOYSA-N 430.581 4.769 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](OCC=C)C1 1587808447 RQHPFCOLIOEBQO-PZJWPPBQSA-N 442.991 4.883 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1587830839 CMZDDALDNXKWSG-LJQANCHMSA-N 442.350 4.638 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC(F)(F)C1 1588084705 VAZQSYZUXQXQQX-WOJBJXKFSA-N 426.511 4.543 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@](C)(O)C1CCCCC1 1588181384 SQEFKCCSZZKUBV-IGKIAQTJSA-N 432.612 4.614 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@H]1CCO[C@@H](C)C1 1588446091 XWVAJENJWXLKHL-FCHUYYIVSA-N 438.616 4.954 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCNC(=O)OC(C)(C)C 1589668796 CLCJCHPKIZDBKQ-UHFFFAOYSA-N 448.011 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1593835428 ZXZWBNOMCMSYPO-MRXNPFEDSA-N 444.948 4.755 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCCCC2)CC1 1594013042 BFNQFVXPNREUBT-HXUWFJFHSA-N 427.568 4.590 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC(=O)N2CCCCCC2)CC1 1594024608 WYODGWQLUSYRJB-QHCPKHFHSA-N 435.616 4.769 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1594591334 RURXPVZGLCIILF-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCc1nccs1 1594692611 AKLUXWZVIBEQAE-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1594693187 SDJDVJOSHPWUHZ-PKOBYXMFSA-N 441.645 4.593 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(SC)CCOCC1)C1CC1 1595064946 DLXCYOCCBISXOH-UHFFFAOYSA-N 442.629 4.541 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2ccccc21)C(C)C 1595171790 YMWHISBEERNRGH-BJKOFHAPSA-N 435.616 4.913 30 10 IJEE C=CCSCCn1c(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1595906068 XILNLWGIESSIOV-FQEVSTJZSA-N 432.609 4.584 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CCCN1C(=O)OC(C)(C)C 1596323499 NNZOVJCRJGYTOD-QHCPKHFHSA-N 446.498 4.743 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1OC 1596629170 HPBNVKQSBGPEBH-CMQXMCPJSA-N 444.572 4.521 30 10 IJEE CC(C)(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC1 1597384198 GPYXWASWYPLFBI-IBGZPJMESA-N 442.558 4.563 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 1621673090 BJIAUTCKYCYAEB-UHFFFAOYSA-N 438.524 4.675 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)C1 1627367926 JKINICGGZIQWFB-HNNXBMFYSA-N 443.316 4.716 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1627870970 UATHNYMYQCAKFQ-RUZDIDTESA-N 432.545 4.686 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@](C)(CCC)NC(=O)OC(C)(C)C)cc1 1631137366 QDNOSWHBEAOVRN-XMMPIXPASA-N 429.561 4.523 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](CF)C1 1633199777 RBTNZWFSYKRVNN-UUOWRZLLSA-N 436.527 4.678 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)cc1 1633325730 IRFZMDGRSZVMSB-UHFFFAOYSA-N 440.609 4.516 30 10 IJEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCN1Cc1ccccc1 1636287034 AZEGKKOALPFTDV-QPTUXGOLSA-N 436.987 4.786 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 1637758018 PUPCCOHMXOGVJS-SFHVURJKSA-N 429.314 4.776 30 10 IJEE C=CCn1c(SCCOCCOc2ccccc2)nc2sc3c(c2c1=O)CCCC3 1640693286 RWOQYIDBKBJBFM-UHFFFAOYSA-N 442.606 4.711 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(Cl)cc1 1642103320 VFDDYLHUTRRTJD-PKOBYXMFSA-N 434.870 4.675 30 10 IJEE COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 1642499667 HWUNDPVRFGHPSZ-OALUTQOASA-N 429.520 4.824 30 10 IJEE COc1cc(CN[C@H](C(C)C)[C@@H](O)c2ccccc2)ccc1OCc1cccc(C#N)c1 1643025738 FQSNARXHRYVCCN-SXOMAYOGSA-N 430.548 4.994 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN[C@@H](c3ccc(Cl)cc3)C2)c1 1647958081 HHRKGNBCSXWMSR-HSZRJFAPSA-N 431.923 4.577 30 10 IJEE C=CCn1c(SCC2(C(=O)OC)CC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1652572648 UDPDGGYZWIYJLC-UHFFFAOYSA-N 426.563 4.665 30 10 IJEE C=C(CC(C)C)C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1654103293 NECQHJYMWAOXOL-UHFFFAOYSA-N 428.573 4.780 30 10 IJEE C=CCN1CC[C@H](N[C@@H](CC)c2ccccc2OCc2ccccc2Br)C1=O 1658031340 LJGCHTQYKKCCSX-SFTDATJTSA-N 443.385 4.856 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(OC)ccc1I 1658758141 DPENJSLPXJTKJQ-HNNXBMFYSA-N 436.293 4.609 30 10 IJEE CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)c(Br)cc1C 1660781003 FFJFGPDBWFBHLO-CYBMUJFWSA-N 425.323 4.540 30 10 IJEE C#Cc1cccc(NC(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)CC)c1 1666473724 XULGNMBWVATUFZ-NBGIEHNGSA-N 431.580 4.685 30 10 IJEE CCOc1ccc([C@H](NS(=O)(=O)c2cc(C#N)ccc2C)c2cccc(Cl)c2)cc1 1668160177 FKPROJBOWYFPCQ-QHCPKHFHSA-N 440.952 4.987 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(ccn2CCC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1668376764 YKPLJGRFIKJXSJ-UHFFFAOYSA-N 438.572 4.918 30 10 IJEE Cc1ccccc1N1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 1671278813 CWQHUGGKVGIMOJ-UHFFFAOYSA-N 442.567 4.704 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(N(C)C)n2nc(C)cc2n1)c1ccc(C(F)(F)F)cc1 1671937344 IRVDZUSLMGLFTL-QGZVFWFLSA-N 446.477 4.952 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C 1671938519 AHPHLMIPLWBFAP-NRFANRHFSA-N 435.490 4.715 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)c(F)c1 1678171051 JNCPSXSOYKWMDZ-VXKWHMMOSA-N 449.929 4.608 30 10 IJEE N#C[C@@H]1CN(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CCN1Cc1ccccc1 1682605718 ALBHMKLIZUZCDM-HSZRJFAPSA-N 444.510 4.538 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 1687036814 WEHVKTAJPQTWNI-QFBILLFUSA-N 448.405 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1689834046 WAZTXZIUGQKGMC-GJZGRUSLSA-N 425.989 4.686 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1690181291 SRXAMYUJLLVRGP-HXUWFJFHSA-N 443.686 4.835 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccccn1 1690182508 AQPKNASTUAFAGX-UHFFFAOYSA-N 449.624 4.552 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)C(=O)NCC 1690258328 CIPSRACJTOQDGN-KRWDZBQOSA-N 443.661 4.696 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1csc(CC)n1 1690303107 ROLNIOGQAMWAGM-UHFFFAOYSA-N 431.993 4.847 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(C)CCOC(C)(C)C 1690339029 QWDSNJVDSFBPQT-UHFFFAOYSA-N 427.774 4.711 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCSc2nccs2)CC1 1690377426 AQFVBYBJFNMVOP-UHFFFAOYSA-N 429.590 4.803 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2scnc2C)CC1 1690415414 KYHMWVVJGWQJFV-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CC[C@H]1C2 1690419994 HTKDLWHURGNADQ-WMZOPIPTSA-N 426.561 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@H]1C 1690428625 WXHMIKFJXFGEGX-RTBURBONSA-N 448.615 4.902 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2=CCCCC2)C1 1690692245 UZDYWACLIAJKEA-NRFANRHFSA-N 438.572 4.634 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCCC2(F)F)C1 1690705024 ADERRRJXCNGLBX-NHCUHLMSSA-N 430.543 4.784 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN1C1CCCCC1 1692659746 AAMJVDVNXURZSN-URXFXBBRSA-N 434.632 4.599 30 10 IJEE CCN(CC)Cc1ccc(Cn2c(C3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1695647684 CUYVXWJLCCMZQS-SANMLTNESA-N 434.632 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccccc2C)C1 1705480569 SUUCQVNDFZKQLK-BQFCYCMXSA-N 438.373 4.921 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705520330 QAZMCGLJKKZEPL-QFIPXVFZSA-N 449.643 4.588 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCN(CC)CC 1705574669 KEGBBPNKCAPFBH-UHFFFAOYSA-N 440.016 4.618 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H](C)Oc1cccc(Cl)c1 1705708230 ZSRHLEQGAOCGML-QINHECLXSA-N 442.951 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1705708705 GEMKSOJPPJHGLK-DSBYRVASSA-N 449.599 4.585 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)c2ccc(F)cc2)CC1 1705784195 LKJADSFILOAUJN-UHFFFAOYSA-N 436.579 4.659 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1)c1ccccc1 1705797078 PQGJMVOSRYGERN-DNQXCXABSA-N 447.631 4.886 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 1705820716 WYHKLKGLWOJTJA-UHFFFAOYSA-N 428.024 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](C)c1ncc(C)s1 1705866390 OSRMVEZYSMSUEC-OAHLLOKOSA-N 437.598 4.558 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC(C)(C)C1)C(C)C 1705866992 DYGINBZUOYVIPA-QHCPKHFHSA-N 436.648 4.974 30 10 IJEE Cc1cc2cc(Cn3c([C@@H]4CCO[C@H]4C(C)(C)C)nnc3N(C)C[C@@H](C)C#N)ccc2[nH]1 1707313596 GBQPYICMDHERAQ-SAWYMBPVSA-N 434.588 4.631 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(N(C)C)CCCCC2)cc1 1708911750 GWZAJEANIILEND-RUZDIDTESA-N 434.632 4.902 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722308349 LHKTZGRJUKUJNP-VABKMULXSA-N 436.600 4.701 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722334630 DMZNXTAECCPLQZ-QFIPXVFZSA-N 425.665 4.905 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCCN1CCC[C@@H](C)C1 1722343937 FUOHGTSUCYBIHU-NFBKMPQASA-N 437.632 4.616 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](CC)N1CCCC1 1722406421 YGRUJMMSZBHIFD-FQEVSTJZSA-N 425.646 4.609 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@H]1C 1722465403 LHWBUINZEVDDOQ-HUUCEWRRSA-N 439.412 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CSc2ccccc21 1722515428 RPQAQJOSDJKARJ-QGZVFWFLSA-N 425.627 4.926 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CC(OCC)C2)CC1 1722575968 DKVHFBXFQSVNPC-UHFFFAOYSA-N 438.616 4.575 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](OC)C(C)(C)C1 1722606486 ABYROWQCZMTBQO-SFHVURJKSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCCOC1 1722620044 BHVUTUCIHRFSAD-INIZCTEOSA-N 439.387 4.993 30 10 IJEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1726424982 FBOFINYIAWDNAD-DYESRHJHSA-N 448.571 4.591 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1727533185 CNDJPAPLXGIJEX-HXUWFJFHSA-N 432.616 4.516 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(OC)CC1)C(C)C 1728737213 GQGZGDANEBKMLY-DHLKQENFSA-N 439.604 4.663 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)CC[C@@H]1C 1740582495 OEPXEGUYHNISBC-HOTGVXAUSA-N 431.378 4.754 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1nc(C)cs1 1740633382 GBPJORMKMSXTBE-IAGOWNOFSA-N 449.649 4.773 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1740721857 WDUCFNIXTAIQRX-OALUTQOASA-N 426.630 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1OCCC1(C)C 1740730231 VHZISMADBMGYKQ-PGRDOPGGSA-N 443.389 4.515 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@](C)(O)CCC)CC1 1740820783 QWVRNBAXTPAJAS-RUZDIDTESA-N 436.556 4.825 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740888549 OSOKPYFCLUWPAJ-WOJBJXKFSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nccn1C(F)F 1740892438 GYBWJJGRJMBBJK-UHFFFAOYSA-N 441.511 4.639 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)(C)C)s1 1744415747 GYGKYLUETBIESC-LJQANCHMSA-N 438.601 4.533 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1748716238 WIZAWSMXIOUESG-IRXDYDNUSA-N 434.993 4.616 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1748723854 AXVDGAKHWRBQEG-QFIPXVFZSA-N 426.630 4.855 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1748739952 LNEYOGGVLXZCSC-UHFFFAOYSA-N 434.540 4.620 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H](O)C1 1749147487 JVUNCEPIUVOSSG-QFBILLFUSA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cc(COC(C)(C)C)on1 1749163863 RHNKSVGCGLMBAS-UHFFFAOYSA-N 429.590 4.684 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCC2(C)C)CC1 1749288367 TXNFQMOVJWSRFU-LJQANCHMSA-N 440.588 4.954 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749398440 HFSDGUWEZNVAMJ-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCCN1CCC(C)CC1 1749554340 RKBNUJBPJCDIHS-JOCHJYFZSA-N 443.661 4.896 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)c2nccs2)cc1 1751585229 AVFPYEJFFNLQBB-HRAATJIYSA-N 442.589 4.581 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCCCC2)C1 1752011736 FQCDPPVRCSBTHX-OYRHEFFESA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCOC2)C1 1760143199 YRTUWXMLTNJITP-QFIPXVFZSA-N 431.005 4.644 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1760148317 WFWBNEJKGURIKG-AWEZNQCLSA-N 442.336 4.712 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc(C(C)C)cs1 1760194948 TWYFQBMTTOYVMK-FQEVSTJZSA-N 447.608 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCc1cccc(C)n1 1760298968 BURDFIGENDSGKJ-RUZDIDTESA-N 447.608 4.517 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N(CC)C[C@@H]1CCCO1 1760368525 FIZAMZAGPIIESG-LBPRGKRZSA-N 431.787 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1760385516 SIIUYCDRMQBGDP-IBGZPJMESA-N 433.522 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1760414991 KSDUNTPMOYILLN-UHFFFAOYSA-N 437.588 4.725 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1760470864 FSAFJFGCQUACIY-PGRDOPGGSA-N 441.595 4.832 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1760695302 FIEKXTSHZFUOCM-SFHVURJKSA-N 436.604 4.640 30 10 IJEE CC[C@H](Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@](F)(C#N)C1)OC 1762325664 DWTHMSMGUWJUID-AQOAWAETSA-N 449.958 4.555 30 10 IJEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@](C)(O)C(C)(C)O)C[C@@H](O)C[C@@H]1O 1775954680 KRGCLKZOZQUAFK-SRVBKSGJSA-N 444.656 4.842 30 10 IJEE CCCCCCCCn1cc(OCC(=O)c2cc3ccccc3o2)c(=O)cc1C(=O)O 1857890814 FFAOTHKUTDCAMH-UHFFFAOYSA-N 425.481 4.915 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br 1861020993 OGFBSNMPWGMPFB-GOSISDBHSA-N 443.451 4.777 30 10 IJEE C=CCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 1861439277 RTZLYRJSGUXMEM-AREMUKBSSA-N 432.568 4.728 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2Cl)cc1 1862535535 FBWNPPYFWPVWFU-UWJYYQICSA-N 425.912 4.660 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 1862536868 JIKAJCJEYKPKCC-HSZRJFAPSA-N 447.487 4.725 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862599232 AERITKOZLDWZFD-HSZRJFAPSA-N 436.552 4.863 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2C)cc1F 1862638789 KHXYOOGABHUHDB-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc(OC)c1O 1862656872 PFVRSTZRZXVWDT-JOCHJYFZSA-N 447.487 4.549 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862769413 XVIMNXSPRPKCOM-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)N(c2cccc(C#N)c2)C1=O 1863060390 QESMZCABKYOBIJ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2Br)=C(c2cc(C)ccc2C)C1=O 1863408836 RHFCDOPYVJEVSE-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1863729683 UBRISUHXMGDJGA-UHFFFAOYSA-N 445.346 4.545 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3Cl)CC2)nc(-c2cccnc2)n1 1868001496 LCABVRKIHWRYRG-UHFFFAOYSA-N 446.986 4.697 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)n(-c2ccccc2)n1 1870000397 OIVILVRAUJKPHD-PMACEKPBSA-N 433.943 4.841 30 10 IJEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 1870109994 UOCBCWDSOPMDIU-NTCAYCPXSA-N 449.514 4.737 30 10 IJEE COc1cn(CCc2ccc(F)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870295660 YRFWDNXYQCLZNU-UHFFFAOYSA-N 437.540 4.723 30 10 IJEE C=CCOc1cn(CCCCc2ccccc2)c(CN(CC)CCc2ccncc2)cc1=O 1870385415 WJEBQITXGNEYPK-UHFFFAOYSA-N 445.607 4.896 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2Cl)c(=O)cc1CN(CCC)CCC 1870644401 CLEBWUFDIGYUPW-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871226344 ZRWRVCOIIISOOW-UHFFFAOYSA-N 444.535 4.761 30 10 IJEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871390275 NUSUANMVVQAJDF-JJFYIABZSA-N 443.455 4.787 30 10 IJEE Cc1cc(O)c(CN2CCC(O)CC2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871393945 UOWMSURKBVEFMI-OCKHKDLRSA-N 434.319 4.580 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccco2)nc(Nc2ccc(OCCCC)cc2)[nH]1 1871614390 UWSHQQPWWHZWRW-UHFFFAOYSA-N 434.544 4.600 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Br)cc1)S(=O)(=O)CCCC 1871748547 PJJNFLJMCNAJAV-GOSISDBHSA-N 445.423 4.564 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)S(=O)(=O)CC 1871813236 HDKWCNCHAJVECR-IBGZPJMESA-N 440.487 4.613 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1cccs1 1871909294 XRHMPVCGRPOTOL-IBGZPJMESA-N 436.599 4.521 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CCC 1872164208 OSGJLVIKXSMPFZ-JOCHJYFZSA-N 438.634 4.981 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(N(C)C)c1)S(=O)(=O)c1cccs1 1872190701 SNZLONGJOBJBPU-FQEVSTJZSA-N 449.642 4.578 30 10 IJEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OC(C)=O 1872776251 LQTXPIDOBAUFFK-KDEAJPOZSA-N 436.464 4.773 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCCCCCCO)ncnc21 1873643204 YNQFPCPTJYAXHI-UHFFFAOYSA-N 441.963 4.796 30 10 IJEE CCCCCCCCCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 1873935442 QTJYPRMFLFXXBH-UHFFFAOYSA-N 427.589 4.759 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cccc(OC)c1O 1874300709 ZBYAGYLHWGRGNA-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)cc1 1874303757 QHUDTMUEUCCCNJ-JVWAILMASA-N 447.539 4.976 30 10 IJEE Cn1cc(/C=N/n2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)c2ccccc21 1874448938 OWGXQVGNKHQUOQ-NJRDNMGOSA-N 431.565 4.838 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2C(F)(F)F)cc1OC 1874459787 ANRZLYAQEFRPJK-WYMPLXKRSA-N 436.459 4.879 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccccc1O 1874478187 SUKJQENBNUZXMW-BUVRLJJBSA-N 437.569 4.502 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccs2)c(C)c1 1874487072 YFSWKUPOPUZGOE-WSDLNYQXSA-N 427.599 4.867 30 10 IJEE CC(C)c1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874513134 IZAXSEMIFKJXOH-DHRITJCHSA-N 439.585 4.583 30 10 IJEE CCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2ccccc2CC)cc1 1874536214 RXBQJERFDZAHHX-MFKUBSTISA-N 437.569 4.632 30 10 IJEE Cc1ccc(C(=O)/C=C/c2cc(Br)cc(Br)c2OCCO)cc1 1874579519 SGEBLJIHAAAWPG-VOTSOKGWSA-N 440.131 4.787 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3cccs3)c2)c(OC)c1 1874714089 CWWXZXMEFJQOCB-UXBLZVDNSA-N 438.501 4.818 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1875120568 YUARTYRSXFBKMA-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Br)c1OC(=O)C1CC1 1875163951 LROIIFPKUUQRDL-FARCUNLSSA-N 437.236 4.947 30 10 IJEE C#CCc1cc(N)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887513944 IOILNTWHWZIRJO-UHFFFAOYSA-N 437.543 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]21 1912180694 FAKLUJWJFWQCFJ-JKSBSHDWSA-N 448.568 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCc2c(Br)cccc21 1922075213 UTLBDHZJAAOQTF-XZOQPEGZSA-N 430.386 4.724 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953197763 HGYMGQKEXOQUEN-UUOWRZLLSA-N 429.561 4.963 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)CC1 1962875874 XZLLGMNFFPNHIB-OTVXOJSOSA-N 436.350 4.733 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3ccc(Cl)cc3Br)CC2)OC1(C)C 1963797121 UXNUDGZHTYRNLC-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE C=CCC1(Oc2ncnc(Cl)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2064709466 UEFWITRFUQOJMF-UHFFFAOYSA-N 432.746 4.617 30 10 IJEE C=C(c1ccccc1)[C@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076578607 NRYDSZNMFAAWPY-DEOSSOPVSA-N 435.612 4.847 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2087653346 UPJKDUYBYJTADJ-UONOGXRCSA-N 429.403 4.806 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1F 2124521358 FWMPHVFZTNOTPJ-MRXNPFEDSA-N 448.344 4.871 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCCC 2159121613 WTXOFFBCGPTACQ-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(C1)CN(c1cccc(Br)c1C#N)C3 2174816012 ZBCLQCDFLHQPEQ-OYRHEFFESA-N 432.362 4.548 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1C#N)c1ccccc1 2181137122 ZELZDZYDZVLWIL-KRWDZBQOSA-N 430.302 4.525 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2231059888 MMLNBERRKVNREL-UHFFFAOYSA-N 448.344 4.871 30 10 IJEE O[C@@H](C#Cc1cccc(Br)c1)c1ccc(I)c(Cl)c1 2278744933 WEEMTOWGFWKZGT-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE C=CC[C@]1(COc2nc(C)nc(C)c2Br)CCCCN1C(=O)OC(C)(C)C 2287688924 SYMPOILOTXAWNT-HXUWFJFHSA-N 440.382 4.971 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2ccc(Br)cc2)CC12CCCC2 2296286244 JGMUZSJIQNSCQV-PKOBYXMFSA-N 434.374 4.731 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2296309511 WQWQBVREOFVUGR-LEAZDLGRSA-N 433.390 4.567 30 10 IJEE CCS[C@H](C)C[C@H]1CC(=O)C(=CNc2ccc(Cl)c(Cl)c2)C(=O)[C@@H]1C(=O)OC 2297624165 UXXDMMKKPZYWAB-FTLABTOESA-N 444.380 4.768 30 10 IJEE CC(C)(C)OC(=O)N(CCC[C@@H](O)C#Cc1ccc(C(F)F)nc1)Cc1ccccc1 2301899344 IABXGHNRNHUULG-HXUWFJFHSA-N 430.495 4.949 30 10 IJEE CCC[C@H](CS)COCc1cc(I)ccc1Br 2302771360 ABQYENRKZHLUBP-JTQLQIEISA-N 429.161 4.916 30 10 IJEE CC(C)(C)OC(=O)NCCC(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317334922 AHUYHNXJSACXHV-WYMLVPIESA-N 432.370 4.798 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317353226 GDAJDHVVAUDFBN-DPYIKZRWSA-N 430.354 4.551 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2322687441 XMGDBSXIVJPELI-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cccc(OC)c2OCC(=O)OCC(C)C)cc1C 2322999022 OCGNBENGSTVLGH-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c1 2323177828 VFMZPTLNSSSQDV-LJQANCHMSA-N 445.515 4.856 30 10 IJEE Cc1cc(C=CC(=O)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1F 2323232192 MMPZPADCTZTHSU-UHFFFAOYSA-N 442.534 4.650 30 10 IJEE Oc1ccc2cc(Br)ccc2c1C=Nn1c(S)nnc1-c1ccccc1 2323514594 JEMZGAPOZAJDGC-UHFFFAOYSA-N 425.311 4.737 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OCCO 2323524343 GVIYBPSZPNVCBR-UHFFFAOYSA-N 426.252 4.568 30 10 IJEE O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC[C@@H]1CCO 2324140383 KJGCQIKEVBUVAR-CQSZACIVSA-N 431.891 4.538 30 10 IJEE C=CCOc1ccc2c(c1C)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2324623690 XGOOHIYKDIPXQY-UHFFFAOYSA-N 429.266 4.805 30 10 IJEE COc1ccc(C=Nn2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)cc1O 2325901857 ISQDRXWSKBYAFZ-UHFFFAOYSA-N 440.569 4.781 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(O)c(OCC)c1 2327674455 FSTYAHUAEDMJKW-UHFFFAOYSA-N 446.960 4.999 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccco2)cc1 2329823420 JQWSRMZTTFZTRU-UHFFFAOYSA-N 437.456 4.684 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc[nH]1 2330055489 KOFMVTCGMJYNLL-MRXNPFEDSA-N 448.527 4.510 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 2330952088 BKWUSSWXOLCSAP-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)NCc3ccco3)nnc2-c2ccco2)cc1 2331197250 SDEUQOMOJUQLTR-UHFFFAOYSA-N 449.536 4.545 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c(Br)c2)c(C)c1 2331224577 MRGUSHKJYXIRSN-UHFFFAOYSA-N 437.293 4.971 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(F)c2)cc1 2331378747 XPZVTQRPEBPQTM-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE CCCOc1ccccc1C=Nn1c(CCC)nnc1SCC(=O)N(CCC)CCC 2331659401 XJJXNSUWWIAIGV-UHFFFAOYSA-N 445.633 4.642 30 10 IJEE C=C1CC(NCc2ccc(I)c(Br)c2)(C(F)(F)F)C1 2349824622 NQLJWEPWUWZTQN-UHFFFAOYSA-N 446.048 4.794 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@@H](O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360194801 SAAHDPPRGVRYTC-NMLBUPMWSA-N 434.374 4.587 30 10 IJEE N#Cc1ccc(Oc2cc(Br)cc(I)c2)cc1[N+](=O)[O-] 2364016361 YBRSWADCZWZIGW-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE Cc1cc(Br)c(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)s1 2364742318 YFJFIRWARKQTGE-UHFFFAOYSA-N 433.180 4.602 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@@H]4CN(Cc5ccccc5)CC[C@H]4C3)nc2)OC1(C)C 2365109679 ZTHCMDACKZHOGF-ZEQRLZLVSA-N 445.416 4.685 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCC)cc2)S/C1=N/c1cccc(Cl)c1 2729878 NXJWSEOLSHJINB-YPYXJLKGSA-N 443.956 4.885 30 10 IJEE Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3c(C)cccc3C)c3ccccc32)c1 3041600 XEDXMMSPLNNKLC-VYIQYICTSA-N 428.561 4.849 30 10 IJEE CC/C(=N/n1c(-c2cccs2)cs/c1=N\CCOC)c1ccc(OC)c(OC)c1 33881424 TYDMGNQSYUQICF-YTEQCHQYSA-N 431.583 4.505 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)CC 36117117 KPMXTDSZPCZFIW-QFIPXVFZSA-N 440.609 4.801 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 61723533 KUJYBQGYERDRJQ-CYBMUJFWSA-N 442.368 4.683 30 10 IJEE O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100411108 MOPONKTXUYNHIB-TYGLDRHGSA-N 433.508 4.986 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 102492515 QEAYSRDIFDOMEN-VFJWVMJUSA-N 444.443 4.620 30 10 IJEE C=CCNC(=O)/C(=C\c1ccc(-c2cccc(Cl)c2)o1)NC(=O)c1ccc(OC)cc1 102854687 UQLXYKPJZVGFKZ-RCCKNPSSSA-N 436.895 4.682 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2C)c1 169936715 FONXACCORBMSCL-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971367 SQSLBPFDZJAPMU-JOCHJYFZSA-N 449.409 4.785 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1 170076747 MVYNVFSLDBMROR-HSZRJFAPSA-N 442.471 4.938 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2sccc2C)c1 170105120 BIXXBBBTULHMLL-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccs2)c1 170154901 OJGHVKAXJCXKIM-NRFANRHFSA-N 443.565 4.786 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)cc1C 170185342 HNYBXOXBAYSPAP-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2cccnc2)cc1 170190882 AASDWDOITLQKRW-DEOSSOPVSA-N 431.451 4.889 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccncc2)cc1 170201371 DSKAQQYVCKDDQV-QFIPXVFZSA-N 432.451 4.575 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCC2)cc1 170214887 GPVFVKRRSZKCJI-IBGZPJMESA-N 426.538 4.680 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 170247864 YLTMHAZFMAAQGR-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1c[nH]c2ccccc12 170256163 ZSAOZLJHSFSAIC-HSZRJFAPSA-N 448.519 4.954 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170258824 FPFBNRSIXXGAMT-JOCHJYFZSA-N 427.412 4.627 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(O)c1 170259045 ZHEBRLCMFZRHQU-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2CCCOC)cc1 170266806 NLIVUDMYJZODPP-NRFANRHFSA-N 443.927 4.526 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccco1 170289943 UICXMSRSTQCTOQ-FQEVSTJZSA-N 448.862 4.905 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)c1 170431884 YVIAZIFTYHLBBO-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE C=C(COCCC)[C@H](NCC)c1cc(I)ccc1Br 387482415 WJTZKENHNBLMOQ-HNNXBMFYSA-N 438.147 4.687 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1nc(C(=O)OCC)cs1 409816566 NSANAWTZCWMYLM-UHFFFAOYSA-N 449.532 4.713 30 10 IJEE CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)o1 442139510 VZNMVWAWLRTGGX-FOIQADDNSA-N 448.548 4.775 30 10 IJEE N#Cc1ccc(Br)c(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 492721315 KDGNUOPVNFJXAE-INIZCTEOSA-N 441.304 4.889 30 10 IJEE Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 504075942 ZSPQIGTUHYMJPT-DEOSSOPVSA-N 436.512 4.839 30 10 IJEE N#Cc1cccc(N2C(=O)C(SCc3ccco3)=C(N3CCCc4ccccc43)C2=O)c1 526692912 CDYGFPPVMDRPEJ-UHFFFAOYSA-N 441.512 4.622 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[S@](=O)C(CC)(CC)C1 549658548 XUCRPTSZMHMTMA-QJWGWKRISA-N 444.645 4.739 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)Cc1csc(-c2cc(Br)cs2)n1 563711228 WFPNOAMYKKEFMT-UHFFFAOYSA-N 425.295 4.754 30 10 IJEE COc1ccccc1[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 578224669 POJYMKFYLMOBTN-QHCPKHFHSA-N 435.531 4.868 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 581576167 UAFAWFAFYXCYTB-GOSISDBHSA-N 432.509 4.991 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Cc3cccs3)C2)c1 586003070 XRPVSMOUAFEYAT-FQEVSTJZSA-N 425.598 4.549 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc2cccnc12 586243361 DXICAMBMKSMYID-UHFFFAOYSA-N 443.528 4.819 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc(SC)c1 586245884 LEAOYZQVYLXSTJ-UHFFFAOYSA-N 438.574 4.993 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4n[nH]c(C5CC5)n4)c3)o2)cc1 609060436 AEJXZNDGKGDDGI-UHFFFAOYSA-N 425.448 4.645 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@](C)(C#N)c1ccc(Br)cc1F 698434249 AIGAVEOWVSSVRS-AUUYWEPGSA-N 427.314 4.743 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 698444786 SRLBGCCILVHXKA-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=S 728285146 IHGWDUFXUBPWRM-HXUWFJFHSA-N 434.565 4.714 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 742159348 NYWOYKNTHFLGDC-KKSFZXQISA-N 442.535 4.965 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)c1 758485248 PYKMVLHNYQHBNJ-KRWDZBQOSA-N 439.437 4.716 30 10 IJEE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)N1CCC(C)(C#N)CC1 780333639 BBTGMRCNLGIVSV-INIZCTEOSA-N 425.554 4.544 30 10 IJEE C=CCN(C(=O)c1coc(C(F)F)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124607990 FQPJHHVGTNGBMD-UHFFFAOYSA-N 438.477 4.577 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CCCN1C(=O)OC(C)(C)C 1125440754 TYRUXRPBLGGCIJ-DVECYGJZSA-N 448.510 4.575 30 10 IJEE Cc1ccccc1-n1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)nn1 1125729859 GLPFFRRVDKJCNT-UHFFFAOYSA-N 443.894 4.932 30 10 IJEE Cc1ccc(C)c(N2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)c1 1127405579 GODZYDIWHVRPLD-UHFFFAOYSA-N 425.532 4.717 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H]2C(C)C)c1 1128953400 PPXUBRSNDVMULC-ICSRJNTNSA-N 447.000 4.743 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[C@H]1C 1157137992 VQRXMMNVVTUNAW-QABPDZFRSA-N 438.955 4.951 30 10 IJEE C=C1CN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 1166321886 OWDOMXXRKFIMHR-HXUWFJFHSA-N 443.334 4.606 30 10 IJEE C#CCN(Cc1nc(-c2ccccc2F)no1)[C@H]1CCOc2ccc(Br)cc21 1167420633 HRMZRIOHNCIFFX-SFHVURJKSA-N 442.288 4.597 30 10 IJEE Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)Nc2ccc(F)c(C#N)c2N)c(O)n1 1169328325 BQAJODDVMWXIRI-UHFFFAOYSA-N 431.471 4.563 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N([C@H]1CCc2ccccc21)[C@H](C)COC 1169954823 XKFUJDIKSMWGLY-COPCDDAFSA-N 430.589 4.787 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 1203540925 PURQQRGSWOGXAI-OAQYLSRUSA-N 441.572 4.780 30 10 IJEE CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(C#N)ccc1Br 1205670552 CUUDAZFTICJRAN-UHFFFAOYSA-N 440.307 4.903 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1)[C@@H]1CCCc2ccccc21 1223897687 BLLQNHIYUPREHF-HTAPYJJXSA-N 432.499 4.968 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2CC)c(C(=O)OCC)c1C 1264357780 ZAROUBWBMMRSLB-ZWKOTPCHSA-N 441.549 4.881 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F)c1ccccc1 1277181205 PQISEGGGOXZUQS-MOPGFXCFSA-N 432.442 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC(C)C)C(C)C 1286551754 MYDYFVUNZSHCCV-WMZHIEFXSA-N 442.604 4.814 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnc(C)s1 1286621515 DYOPLCPJJFEBRF-UHFFFAOYSA-N 438.782 4.861 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C(C)C)CC1 1286674601 HHEKMWHVHYXFKS-UHFFFAOYSA-N 439.648 4.997 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1286708208 QUIKJGSACFLIEA-QZTJIDSGSA-N 445.405 4.843 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C2CCC1(C)CC2 1286708574 QVRQHAQWHNQRIV-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCCCC1 1286756492 NGGJFSGPWQLWCF-UHFFFAOYSA-N 432.572 4.655 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccoc2)cc1 1286795240 YANRUKBXFKHZHH-UHFFFAOYSA-N 435.915 4.836 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1286825674 NVEYTHVKKOCHKK-HUUCEWRRSA-N 440.585 4.796 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CSCCS1 1286960036 BXPRCJCFBPNOGF-NVXWUHKLSA-N 447.699 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)[C@H](C#N)CCc2ccccc2)C1 1299126329 FXUHUBPHWDVECM-VABKMULXSA-N 439.600 4.787 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCSC1 1300557180 QHCZDVVIKFPJFU-VXKWHMMOSA-N 436.625 4.641 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1cccs1 1300649416 VIYGRCRACNVKJH-XMMPIXPASA-N 438.572 4.684 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 1300738146 UQWJVVOUYBCEPZ-GDBMZVCRSA-N 431.627 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H](C(C)C)N1CCCC1 1300815709 AUVXEIYPGFWOIS-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](OC)C1CC1 1300900814 IPJYHFSEASXEIO-SFHVURJKSA-N 437.357 4.674 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301051742 QQFLUDLKYFUVSF-PWRODBHTSA-N 445.007 4.760 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(OC)CCC(C)CC2)CC1 1301087142 VSCHMOYUMGJKCZ-UHFFFAOYSA-N 430.543 4.899 30 10 IJEE C=CCCOCCn1c(N(C)CCc2ccc(Br)cc2)nnc1C(C)(C)C 1301258795 ALEXOQAZODKOTM-UHFFFAOYSA-N 435.410 4.610 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1Cc1ncccc1C 1301350940 DVBPXSUWGVZNOX-UHFFFAOYSA-N 428.515 4.732 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)C(F)(F)F 1301417675 VWHCORMVOSFBSV-UHFFFAOYSA-N 448.493 4.563 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC(C)C)cc2)C1 1301557465 PDNKEFHYOXYKRC-QFIPXVFZSA-N 426.605 4.731 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(COC)CC1 1301602622 SXZKJBRLHATEDO-UHFFFAOYSA-N 439.000 4.910 30 10 IJEE C=CCCC[C@@H](NC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1303115081 FHGDUYXGHXOICO-HXUWFJFHSA-N 441.572 4.746 30 10 IJEE CCC[C@](C)(O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N 1306523478 BPKILGMAWJVYQT-STSQHVNTSA-N 448.011 4.978 30 10 IJEE C[C@@H](Sc1nccc(-c2ccc(Br)cc2)n1)C(=O)Nc1cccc(C#N)c1 1307368213 IEVHAEBPROMMCL-CYBMUJFWSA-N 439.338 4.897 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H](O)C1 1314729348 FWRSEIQWJRQOIW-SJLPKXTDSA-N 441.988 4.719 30 10 IJEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(OC)CC1 1315757443 FEXKDXRIUNHONP-RUZDIDTESA-N 439.604 4.665 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1nc(-c2ccccc2)cs1 1355119570 FYYJEQJRFWYUAB-FQEVSTJZSA-N 425.460 4.801 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@]2(CCCOC2)C1 1358934381 ZGEMQPUUSYOENX-SANMLTNESA-N 436.600 4.709 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1358987006 ORIHZXMOBBOMKM-IFMALSPDSA-N 439.003 4.903 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1359176855 QBVZDJCLXUVYAH-IBGZPJMESA-N 433.522 4.540 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)CC1 1359182190 WDQAHVQSSDXYMM-KRWDZBQOSA-N 439.551 4.798 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1359231243 RDMRTAATGJNZDH-FHWLQOOXSA-N 428.577 4.643 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1sccc1C)C1CC1 1359246912 OKSDTONEWPEBIW-UHFFFAOYSA-N 432.391 4.619 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C)c(C)s1)C1CC1 1359247618 JDHWVMAQLFCBKU-UHFFFAOYSA-N 431.512 4.823 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)cc1C)C1CC1 1359248015 XNGZYMFEXQTCSB-UHFFFAOYSA-N 444.352 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(C)(F)F 1359262640 ZXDDTSUIJSPTIS-UHFFFAOYSA-N 432.496 4.973 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1Cc1ccnc(C(F)(F)F)c1 1359277962 CDGGPRQDHKCYCG-UHFFFAOYSA-N 431.462 4.521 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CCOC)CCC2)C1 1359317537 LCWXNPSZRVZKEY-SFHVURJKSA-N 430.980 4.587 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Oc2cccc3c(CC(=O)OC)cccc23)cc1OC 1436254662 AGHFBNFOMVWEFK-WYMLVPIESA-N 432.472 4.748 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 1447808563 OCVSBTZHCVFHNZ-INIZCTEOSA-N 429.442 4.989 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(C)cc2OCCCCC)CCCN1C(=O)OC(C)(C)C 1457948028 MEHLKPRUSALBOS-SANMLTNESA-N 442.600 4.973 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)[C@H]1CCCO1 1459222703 IGGPCZHVOMLQPY-DENIHFKCSA-N 435.321 4.575 30 10 IJEE C#CCN(CCCOCCc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1459520951 YFMTWSAGKYTUSK-JOCHJYFZSA-N 428.370 4.857 30 10 IJEE O=C(OCc1ccc(OC(F)F)c(F)c1)c1cc(OC(F)F)cc(OC(F)F)c1 1460549345 GOYPQOCEBDHPMX-UHFFFAOYSA-N 428.256 4.987 30 10 IJEE Cc1noc(C[C@H]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3C)C2)n1 1465529004 DHWJZGKANOXRBA-HXUWFJFHSA-N 445.523 4.624 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 1465872886 CSGUUVLKLYJDKF-HXUWFJFHSA-N 426.561 4.756 30 10 IJEE C#CCOc1ccc(CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 1468165897 XFIOMIHFVVIRLV-QFIPXVFZSA-N 436.552 4.607 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1470489868 ROJHUEWKAZWMMO-QFIPXVFZSA-N 429.605 4.852 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](CC)[C@@H](O)c2ccccc2F)cc1OC 1474026574 GCXRTCMBQQVYIP-QUCCMNQESA-N 438.337 4.763 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(Cl)cc1F 1477606165 VCOSJYKEJQMZJE-FQEVSTJZSA-N 435.326 4.854 30 10 IJEE C#CCC1(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)CCC1 1478743117 DJWXYNMOCVBPCT-GOSISDBHSA-N 427.545 4.881 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2[nH]c(C)c(C)c2c1 1507546386 JLITZRFVPWRFAE-AYPBNUJASA-N 433.600 4.801 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1c(C)coc1C 1507698266 KNKFRFRZJJSKEY-UHFFFAOYSA-N 433.339 4.882 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCc1cccc(C)n1 1507762846 ZMDWSMLZRCFUKW-RUZDIDTESA-N 449.986 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCOCCC(C)C 1507771961 JOMXFDIDMSSWAC-XMMPIXPASA-N 426.630 4.934 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CCCCC1 1507798796 UHNJNDNFGYMIMH-RBBKRZOGSA-N 439.560 4.851 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)C1CCCCC1 1507805127 IUNOLNPPIJLSIO-SQJMNOBHSA-N 449.599 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCCCCC1 1507809294 JCPYNXGNRIQLQQ-YKSBVNFPSA-N 440.588 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1oc(CC)nc1C 1507815371 AYGQSJSDKCKUHJ-UHFFFAOYSA-N 431.544 4.645 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1507916293 NSHOIYWPCBPWNK-GOSISDBHSA-N 444.576 4.916 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCCC1(C)C 1507982683 PULMXDFZQVTZBA-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1Cc1ccnc(OCC(F)(F)F)c1 1508005307 VYOMTLJCPULSKM-UHFFFAOYSA-N 443.473 4.733 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1508148501 TYEMNDSJMGLBER-IBGZPJMESA-N 441.645 4.939 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cc(OC)c1OC 1516116142 DAIOLEURBDODCK-CYBMUJFWSA-N 436.321 4.695 30 10 IJEE C=CC[C@@]1(C(=O)Oc2cc(Br)cc(F)c2F)CCCN1C(=O)OC(C)(C)C 1519622683 XZKLKEJJYDVGOB-IBGZPJMESA-N 446.288 4.979 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)cc1 1521612290 PDIASEAPWYSMTC-UHFFFAOYSA-N 425.488 4.621 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 1525069908 NVSWLZSYOQDYGP-UHFFFAOYSA-N 434.580 4.913 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1525254726 HXAMIQTXNSOYBE-GOSISDBHSA-N 437.540 4.920 30 10 IJEE CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)cs1 1526029746 FHTWULDZHMISET-UHFFFAOYSA-N 436.562 4.942 30 10 IJEE C#C[C@@H](NC(=O)c1c(Cl)cccc1Br)c1ccc(Br)cc1 1528087807 GPLKHSVZGSQIMQ-CQSZACIVSA-N 427.523 4.969 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(CC(C)C)ns2)nnc1-c1ccc(Cl)cc1 1531625226 ICHQMIJRCQBZOE-UHFFFAOYSA-N 449.005 4.565 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1534189330 FRUJAELBZORZOQ-MRXNPFEDSA-N 425.367 4.733 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc(Cl)c2)nc1O 1534249607 PJMVVJMWKPIHNB-UHFFFAOYSA-N 430.813 4.908 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc3cc(Br)cnc3n2)cc1OC 1535350824 CSWRWDZLUYCBLP-UITAMQMPSA-N 440.297 4.618 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)CCCN1C(=O)OC(C)(C)C 1536383930 MWNVDAJTRXDPQP-JOCHJYFZSA-N 447.557 4.598 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)C(=O)OCC 1537004280 VNJSYDSPLWTBGZ-SFHVURJKSA-N 445.972 4.736 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1539082298 QKEBLZRUBIHGJD-NFBKMPQASA-N 438.616 4.819 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(C)cc(OC)c1 1539244988 AATHFIJQMGQXTG-GOSISDBHSA-N 444.604 4.570 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2CCC[C@@H]21 1539498977 ADBWTMOASSESSS-KGLIPLIRSA-N 437.432 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1539558420 HQFNFGFJVSCWJA-YBFPRZSNSA-N 438.591 4.984 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1539607597 IPBVJORZBNVBSE-MJGOQNOKSA-N 431.378 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C[C@H]1CC 1539636729 LYMAVEFNMWQHEC-JFNLIGNMSA-N 430.543 4.753 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2cccc(Br)c2)no1)c1ccccc1 1539645171 GWPUVTQNHWGTTG-AREMUKBSSA-N 431.311 4.957 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](COCC)C1 1539731137 YSMVGZZJQRETCT-NRFANRHFSA-N 449.599 4.647 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=C(C)CC1 1539735669 RKYFGXQHOQCCKY-UHFFFAOYSA-N 431.378 4.765 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@H](C)C2)CC1 1539839832 FHPAGRYLDNNDPP-IBGZPJMESA-N 429.012 4.662 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1539856265 WNGPMNWUZCYTFB-FNZWTVRRSA-N 438.616 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCSCCCO)CC1 1539877792 FRRGHLHSSHMHOO-QGZVFWFLSA-N 446.686 4.649 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1[C@H]1CCCO1 1539988987 LWBBHNWXCBNYNP-RBUKOAKNSA-N 449.368 4.961 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1540051902 SSYFXODRBZYMHU-OCCSQVGLSA-N 446.315 4.962 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1Cc1sccc1C 1540129762 YGEOXUVXOKWWSC-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)c1c(C)noc1C 1540195871 KXLMTUCVQAENHW-OAHLLOKOSA-N 429.952 4.646 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CC#N)(N(C)C)C1 1543883779 BWUSWFZAJMBHBD-KYTVRQNUSA-N 447.631 4.599 30 10 IJEE C=CCCCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1544263403 OXCTWCARKHZOAN-UHFFFAOYSA-N 447.000 4.958 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N)C(C)C 1554670212 ANWOFBVENJXPIV-KDOFPFPSSA-N 440.375 4.573 30 10 IJEE C=C[C@H](Sc1nnc(COc2ccccc2F)n1[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)OC 1559307316 BSLAHRIVKGQRRW-WDHIOAMHSA-N 445.560 4.813 30 10 IJEE C=CCN(CCC#N)CC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)OCC 1559862200 JBMJGBUGVHQZSA-UHFFFAOYSA-N 431.945 4.585 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCCC1(C)C 1564515464 HATOPPOCBQNCCF-IEBWSBKVSA-N 437.506 4.583 30 10 IJEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)C2)nc1 1564793159 DYMBROUSYCROFX-OAQYLSRUSA-N 438.959 4.671 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CC(Br)=NN2c2ccc(C)cc2)c1 1584736518 PQCAXHHTRNHKPE-IBGZPJMESA-N 428.330 4.876 30 10 IJEE CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2=O)cc1 1586043347 COHPHXADNVRZAF-KRWDZBQOSA-N 445.441 4.791 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)CCCC1(C)C 1586319386 HGTXRLIHKZNNJL-JOCHJYFZSA-N 426.601 4.902 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)nc(O)n2C1CCCC1 1587752996 SAKJKPZUELSEBE-UHFFFAOYSA-N 427.426 4.657 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1587915218 GJHMARQVPWBZHN-HXUWFJFHSA-N 427.474 4.546 30 10 IJEE COc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)c(F)cc1C#N 1588231997 ANEOCXKXPXMDEV-UHFFFAOYSA-N 445.281 4.939 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCCCC2)C1 1593718468 ZIHVDDJHDZLBSI-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(N(C)C)CCCCC2)CC1 1594013029 BCYIIUASMWLLKC-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1594035152 FKAPOXJAIKNCPI-CVDCTZTESA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1594209460 XFWQIAOWWLDCHQ-APWZRJJASA-N 445.405 4.783 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1594455557 RNDVZJAIEAMXCP-KNKQGSTJSA-N 442.604 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1594478851 YJIXYSDHCRSJEU-UHFFFAOYSA-N 436.629 4.635 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ccsc2)CC1 1594659626 DZGJYBCAZFEEOA-FPOVZHCZSA-N 430.618 4.804 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CCc1cccs1 1595075736 JWWSKZFQTJLLQV-UHFFFAOYSA-N 433.581 4.789 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCOC1 1595127557 TWCKUAUUUVTKRA-KRWDZBQOSA-N 441.938 4.752 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1CC 1595132876 ACOZJXLJVZGNJK-PMACEKPBSA-N 439.579 4.559 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1595212756 SGFHKIUZMJYBMS-HXUWFJFHSA-N 449.530 4.725 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1nc(C)cs1 1595234278 NGWLILKTDDUKLS-QXAKKESOSA-N 429.634 4.944 30 10 IJEE C#C[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccc(Cl)cc1F 1597001565 DFQHIHJGAJDHCF-OAQYLSRUSA-N 430.310 4.968 30 10 IJEE C=CCn1c(SCc2cn(-c3ccc(Cl)cc3)nn2)nc2sc(C)c(C)c2c1=O 1613270021 VJGJWFMCMUAOAC-UHFFFAOYSA-N 443.985 4.787 30 10 IJEE CCN(CCOc1ccc(Br)cc1)Cc1ccc(C#N)cc1Br 1615673930 BIUBWUYZSGOXBY-UHFFFAOYSA-N 438.163 4.984 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F)C(C)C 1615883653 AQMMHYBIQOMDIC-FQEVSTJZSA-N 434.506 4.628 30 10 IJEE COCC1(CCn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@@H](C)C#N)CCC1 1619636796 FPDUGDJZWSKUMF-MSOLQXFVSA-N 441.645 4.934 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1623918854 GQTFNVXASZMEMF-QGZVFWFLSA-N 430.373 4.956 30 10 IJEE C#CCN(CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1C)C(=O)OC(C)(C)C 1635680520 UPIFHNGTPUREKL-UHFFFAOYSA-N 449.267 4.585 30 10 IJEE C=CC[C@@H]1CCN(C(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)C1 1636212995 BKHOUKUQEBSQEE-HXUWFJFHSA-N 431.577 4.743 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(C)(C)C 1641835011 HRQAGZBGIDJEIJ-RPWUZVMVSA-N 432.564 4.714 30 10 IJEE C=CCn1c(SC/C=C\C(=O)OCC)nc2scc(-c3ccc(C)cc3)c2c1=O 1643334138 NYRCCGOLFYLGED-SREVYHEPSA-N 426.563 4.831 30 10 IJEE C=CCn1c(SCC[C@@H]2Sc3ccccc3NC2=O)nc2cc(Cl)ccc2c1=O 1643356531 AXFNLLQWTOPWPF-SFHVURJKSA-N 443.981 4.831 30 10 IJEE CC[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1C(F)(F)F 1656675698 DRCQBSOTDBSSNN-IBGZPJMESA-N 443.473 4.825 30 10 IJEE C#CCC1(NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)CCOCC1 1656997287 QAZZIOQTFBGCLV-UHFFFAOYSA-N 444.369 4.699 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 1660122628 CAYHDIGALQTDCP-STXHMFSFSA-N 433.430 4.990 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)c1 1668010774 OMLCPRWELNTTAL-QFIPXVFZSA-N 447.000 4.856 30 10 IJEE C#CCN(C(=O)Nc1ccc2oc(C(C)C)nc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1669244410 ZGTBMOFDJRTLHP-UHFFFAOYSA-N 440.544 4.818 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2cccc(Br)c2Cl)CC1 1669349623 CAYSFKKCGQMPJS-UHFFFAOYSA-N 433.737 4.765 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(F)(F)F)s1 1669894066 BPCYMGLCQZVEPR-SNVBAGLBSA-N 442.406 4.889 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1Br 1671214246 CCZDZNOJAXEUGY-HNNXBMFYSA-N 433.737 4.765 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 1674103873 RNCNOIKVIPXECL-UHFFFAOYSA-N 432.427 4.558 30 10 IJEE C#C[C@@H](NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1682352632 QWDANMFVTOAYLH-LJQANCHMSA-N 425.743 4.915 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1682356170 BDSPRQCBHWLPAP-VQIMIIECSA-N 449.389 4.667 30 10 IJEE C#CCN(C(=O)N[C@H]1CCSC(C)(C)C1)[C@@H]1CCOc2ccc(Br)cc21 1685496557 IWNJZWVOUNKXRJ-DOTOQJQBSA-N 437.403 4.592 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1689976221 BAGPUTBUCXUDFQ-QFIPXVFZSA-N 449.624 4.768 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCc1csc(CC)n1 1690032672 GWDUHERWYGAEEN-QFIPXVFZSA-N 431.609 4.545 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[C@H]1C 1690094302 YOBJUJAUNXNPJS-CEXWTWQISA-N 430.980 4.594 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1CCSC1 1690334200 HFOKJGBXBSEHED-CQSZACIVSA-N 427.799 4.710 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC(C)(C)C)CC1 1690384612 YRQGPAGEFMXFET-UHFFFAOYSA-N 448.036 4.685 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1690455952 QNOMMVGFUDUWFD-NRFANRHFSA-N 428.577 4.757 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)N[C@@H](C)c2ccccc2)n1 1693175668 ACOSVICONNNRTH-UXHICEINSA-N 431.588 4.516 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@H](C)C1 1695728433 BLDSTEJQIVZRPO-FQEVSTJZSA-N 448.640 4.679 30 10 IJEE CN(CC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1696662513 GYZXYAQGVVMTKC-UHFFFAOYSA-N 432.572 4.584 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(CC)CC 1705477301 LZPPYUONQGUJPR-AQNXPRMDSA-N 446.039 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1705483822 CUTAJRUZEPUYOS-UGKGYDQZSA-N 433.625 4.864 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC[C@](C)(CC)O1 1705589324 PBDCQOPCGMKASI-WCYRKSIYSA-N 448.611 4.846 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1 1705591103 FZGBQXPLURKHFN-FQEVSTJZSA-N 428.605 4.951 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCN1CC 1705603955 BCXYFLQATGTZDB-TZIWHRDSSA-N 444.023 4.632 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1C[C@H](F)C1 1705617831 JGKNZRAIQUMSJX-KOMQPUFPSA-N 425.335 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CC(F)C1 1705698087 ZQJQNMKIHVDXGU-RLARUBQMSA-N 448.970 4.773 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1 1705702444 MODBJHJBRFGYLQ-XMSQKQJNSA-N 430.568 4.502 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705778015 XWGGVVVAFPEXKJ-KDURUIRLSA-N 444.023 4.500 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1705817504 LYXMGXVBNHSJMZ-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccsc1 1705861466 GUSPANIWXRLGDI-URXFXBBRSA-N 438.597 4.682 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)OC 1705863718 CITMBMLMWAPLGD-KRWDZBQOSA-N 434.569 4.624 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCCCC2)nc1 1705871661 SDADVOZMSGVHMR-UHFFFAOYSA-N 444.583 4.566 30 10 IJEE CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC1(c2ccc(F)cc2)CCOCC1 1708420297 DOJHARRUHXCBKT-LJQANCHMSA-N 439.579 4.809 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCOc1cccc(C(F)(F)F)n1 1722282465 AXYVVNGAIHMNEF-CQSZACIVSA-N 449.864 4.549 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1722320792 KJXWHLMQZZLAPR-QFIPXVFZSA-N 429.524 4.775 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(Cl)nc2)CC1 1722561593 XIVFHTBSBRAPTR-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)cc2)CC1 1722591294 NDAIPVGHPLYOCC-UHFFFAOYSA-N 434.563 4.717 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722605255 AVXWAYLIPYMRSW-UHFFFAOYSA-N 441.645 4.516 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCO1 1722659562 YHCKSKBPJVMXDK-IBGZPJMESA-N 441.938 4.894 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1csc(Br)c1 1722687110 IJUIIBJCPXXMHF-UHFFFAOYSA-N 442.386 4.997 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1)c1cccnc1 1723108591 BAJLWNJFMYNANX-ZEQRLZLVSA-N 444.583 4.657 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1727707982 AUTQWQKZNNZLJS-IEBWSBKVSA-N 447.505 4.537 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740589104 OQPVUTPPOARXAV-HXUWFJFHSA-N 433.556 4.797 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1740719801 LRQDYCFQGWGXSI-DEOSSOPVSA-N 447.652 4.708 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1740746236 GMEHIEBSZAMSEO-HNNXBMFYSA-N 445.386 4.627 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H](C)c1ccco1 1740748167 HWEGSCZLLMITAH-HNNXBMFYSA-N 447.333 4.565 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1740848827 SDTICCYJSSNJNC-JOCHJYFZSA-N 437.632 4.718 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccco1 1740850309 GURJJKSKAOQCIE-INIZCTEOSA-N 427.574 4.662 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCc2c(ccnc2O)C1 1740852145 JFRVWMPRCLKYAO-UHFFFAOYSA-N 447.583 4.685 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1740852287 MFOAIMZVMZGGII-UXHICEINSA-N 432.515 4.588 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1740883461 UYHUDQDHQNUNPY-UHFFFAOYSA-N 437.632 4.547 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](CC(C)C)N(C)C)C1CC1 1740905618 CNPKAZXZQNNLGW-FQEVSTJZSA-N 446.437 4.839 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCCN1CCCCC1)C1CC1 1740908209 OPBUMCZFAJXVPB-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1OC(F)(F)F)C1CC1 1740912533 HUXRLZUGOXVARY-UHFFFAOYSA-N 449.502 4.736 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCOc1ncccc1Cl 1740923956 ALIVTEWJBKZGOZ-GOSISDBHSA-N 445.976 4.511 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(Br)cc1 1740930966 WGWIWBBGRMJWSS-IBGZPJMESA-N 431.378 4.703 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1Cc1cccc(C(F)(F)F)n1 1740934116 RYHZFMKNRJURIB-UHFFFAOYSA-N 443.473 4.806 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCSC1 1740969229 VRUIMTZTYSXGJR-SFHVURJKSA-N 441.988 4.548 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@@H]1CCCCO1 1748647297 MQLATSUEYRKWCB-PXNSSMCTSA-N 435.597 4.794 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1748719213 UOICSEDCBAYPEZ-HSZRJFAPSA-N 433.625 4.839 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1748863772 GTTPKLIRFWNPOQ-HXUWFJFHSA-N 449.599 4.844 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1CCO[C@@H](C)C1 1748915022 NMELVBPHMAGVJV-HOTGVXAUSA-N 449.368 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OC(F)(F)F 1749064545 AOROHEIGWHFFQP-JOCHJYFZSA-N 441.457 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1749146824 OJBYQNIKYJZWPZ-NZQKXSOJSA-N 430.980 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1cc(-c2ccccc2)no1 1749163028 AUCDYFPTLDIEGZ-UHFFFAOYSA-N 434.569 4.740 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@@H]2C)C1 1749696115 QCZALWORZHUWSB-XKGZKEIXSA-N 432.515 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(SC)CCC2)C1 1749697467 KQMLWCCGIMUSIE-QZTJIDSGSA-N 446.592 4.624 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCN(C(C)C)C2)C1 1749701597 XBKLSULKBHNGCW-KNQAVFIVSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1749762556 XZFLZZWTWZEFTC-YLJYHZDGSA-N 432.659 4.958 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1750813749 DCHMRJRVRNWLBT-UHFFFAOYSA-N 443.599 4.589 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1760140939 DXXDQGBVPQSAFW-UHFFFAOYSA-N 433.644 4.568 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1 1760161172 BLHIFWGTTSUNKX-ISKFKSNPSA-N 449.643 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC=CO1 1760289104 MFLDWGTWRCPVGN-DHJUGAMNSA-N 426.948 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@H](CC)NC(=O)OC(C)(C)C 1760332084 STUAAFUHXYNFPA-IBGZPJMESA-N 427.593 4.959 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nccs1)c1ccccc1 1760420142 JPJYFIIDPYPEIL-OAQYLSRUSA-N 447.612 4.593 30 10 IJEE C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccc(Cl)cc1 1761398430 DLJLZKIGWBBERO-UZUQRXQVSA-N 438.963 4.535 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)NC2CCCC2)c1 1858728684 UJJZNKNNFAYGGU-UHFFFAOYSA-N 436.556 4.609 30 10 IJEE Cc1nc2ccc(C(=O)Nc3ccc(CC(=O)Nc4ccc(C#N)cc4)cc3)cc2nc1C 1859132184 RKTBFDCJDNQQPZ-UHFFFAOYSA-N 435.487 4.552 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861194692 RFWNDHOMPUMTBF-LADGPHEKSA-N 447.639 4.799 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1Br 1862510066 VSWHTRFFDDYPQL-GOSISDBHSA-N 432.289 4.885 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862584338 WKOJWJRWPZWTSD-XTZNXHDOSA-N 436.291 4.781 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862598510 WIBAMWWHSQUZIX-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Cl)cc2)C1=O 1862797071 PDRNHKBHGDDCCL-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2Cl)C(=O)N(c2cccc(C#N)c2)C1=O 1863059992 GGGNJWWOWCDMDT-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(F)c(C)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863093060 IGJWIUPLSDRXEN-UHFFFAOYSA-N 441.462 4.719 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1863277143 RQQQRJALVDGCER-UHFFFAOYSA-N 446.510 4.783 30 10 IJEE CCOc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1cc(C(C)C)cc(C(C)C)c1 1870145435 ZUPXVVOOYLWNSZ-UHFFFAOYSA-N 447.539 4.802 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc4c3CN(CCCCN3CCCC3)CO4)C2=O)cc1 1871349301 UDTFGGNZJVTATI-UQQQWYQISA-N 448.563 4.729 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1OC 1871366809 NKMTYDRBTRKIDS-KIMCNIAYSA-N 432.428 4.840 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871436005 JKHUCXLVPJPTMR-RANIVTSPSA-N 430.485 4.950 30 10 IJEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871447575 YHIGVNKMRCTIAV-JCMHNJIXSA-N 444.443 4.927 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450282 DZEQUHCSPNWCOS-JCRYTKJOSA-N 448.406 4.756 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCC)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871540154 OQIFCJMBDUGJLN-UHFFFAOYSA-N 435.403 4.936 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871844843 LVYKQMKBOQUQHW-QFIPXVFZSA-N 430.570 4.814 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)c(C)c1 1872604956 ISJAXRXVYMZCBU-XMMPIXPASA-N 444.641 4.670 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1I)c1nc(-c2cccs2)cs1 1872774026 FPVBULLVDAKGMH-NSHDSACASA-N 436.299 4.966 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCCCOC(C)C)ncnc21 1873628707 OWNZGYDPVMVFEN-UHFFFAOYSA-N 425.508 4.544 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccccc2[N+](=O)[O-])CC1 1874286540 LZJAUTLPMQXFOX-PXLXIMEGSA-N 431.562 4.617 30 10 IJEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874339913 SZDQEFYGQCYHIM-SSDVNMTOSA-N 437.352 4.884 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874437266 SIPXURHRRAECBC-ZMOGYAJESA-N 426.517 4.879 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccc(C)cc2)cc1 1874443194 VNUWYGUGPOLKKE-XAOCGEIJSA-N 449.580 4.613 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2c[nH]c3ccccc23)o1 1874456089 ZWNWZACHRNDONO-DHRITJCHSA-N 449.536 4.971 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cccc(O)c1 1874477647 GXCJEWVLMKTGPT-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1 1874609587 ZKDRODYBXJTQSP-KRXBUXKQSA-N 428.897 4.719 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)c(OC)c1 1874631918 BAXUDYMVIFVVHI-UKTHLTGXSA-N 447.487 4.626 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)C1CCCC1 1875085276 XWSUQXJZLLPETN-ZHACJKMWSA-N 425.437 4.604 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 1875127060 MOYIDLCSTPIQHR-DHZHZOJOSA-N 432.388 4.927 30 10 IJEE CCN[C@H](C#Cc1cccs1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1900756763 FZJHRPKMVCZPMU-VLCRHTCISA-N 428.598 4.576 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)Cc1ccc(Br)cc1 1922059041 CWRPAWVZXYCHES-XZOQPEGZSA-N 432.402 4.884 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 1922068237 HJIAQGLNSWJVKL-XPWALMASSA-N 446.632 4.524 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)c1ccc(I)c(Cl)c1 1922069041 NILHOTHNDHRXKJ-SFHVURJKSA-N 427.713 4.978 30 10 IJEE C#CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Br)C(=O)OC(C)(C)C 2024059935 WSKLZFNGACSDKK-UHFFFAOYSA-N 436.133 4.565 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)CC#CC2CCCCC2)CCN(Cc2ccccc2)CC1 2032520817 RWGUPGQAFHFXGR-XMMPIXPASA-N 439.644 4.847 30 10 IJEE CN(CCN(Cc1ccccc1)c1ccc(C=CC(=O)O)cc1C#N)Cc1ccccc1 2034745088 HRJSTKFSZTXGEU-UHFFFAOYSA-N 425.532 4.795 30 10 IJEE CC[C@H](c1ccc(C)cc1O)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079031318 JHWNORDEJZJZCQ-DGURAOSJSA-N 441.313 4.607 30 10 IJEE CC[C@H](c1ccc(C)cc1F)n1nc(C2(C)CC2)c(/C=N/O)c1I 2079102769 VJZYQEBHFCMKTK-SBUZPKSBSA-N 441.288 4.794 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(Cc2ccc(F)cc2C(F)(F)F)c1Br 2080182897 ZFMUHRNSYAOSKY-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE O=C(C1=Cc2ccccc2C1)c1cc(I)ccc1Br 2088988253 SYGVXGWGMNXWNC-UHFFFAOYSA-N 425.063 4.876 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 2102850917 LZYPGZHSNHXDMJ-ROUUACIJSA-N 443.813 4.930 30 10 IJEE Cc1cc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)c(Br)s1 2107455630 GXNPFPJJXZRRSS-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE N#Cc1ccc(COc2c(Br)cc(Br)cc2Br)nc1 2125883016 XASNMHPLAKGEMZ-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE C=CC1(CNC(=O)c2cc(I)ccc2Br)CCCC1 2133086024 GKDDWLKKQSMOLO-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c2nsnc12 2137370916 CRIDPRFSNCQNPH-KGLIPLIRSA-N 441.395 4.574 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 2145528336 IGDYENWJJBWLBK-WOJBJXKFSA-N 437.422 4.975 30 10 IJEE CC1(C)OB(C=C2CCN(Cc3c(F)ccc(Br)c3F)CC2)OC1(C)C 2163714044 RCEHEWVKCKGLRW-UHFFFAOYSA-N 428.126 4.881 30 10 IJEE C[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)[C@@H]1CCNC(=O)OC(C)(C)C 2174766285 VQRBQDMILRKROI-DZGCQCFKSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2C#N)CC1 2181107400 HUSMIBWDKIBWDB-XJKSGUPXSA-N 436.350 4.733 30 10 IJEE CN(Cc1ccccc1)C1(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCCCC1 2232307963 WYIFNOXJCOVBSK-UHFFFAOYSA-N 435.421 4.628 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 2235735636 ZWCSVFMAQUTOAG-DBVUQKKJSA-N 435.406 4.957 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(OC)c(Br)s2)C1 2263742691 KPALSOHVQTXYSJ-AWEZNQCLSA-N 431.396 4.783 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(C)C=CCN1C(=O)OC(C)(C)C 2296292622 ALOVNHBRJODFRH-UGKGYDQZSA-N 433.390 4.734 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296301426 UORJBJPRBRHDJF-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(I)ccc1F 2296311273 VCEYKNAMRPFDOC-INIZCTEOSA-N 444.085 4.505 30 10 IJEE C=CCCCC[S@@](=N)(=O)c1cc(I)ccc1Br 2300852763 XXDVPXDOYKIVIM-QGZVFWFLSA-N 428.133 4.816 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2302617227 GHNASIVLWQBKPV-KKSFZXQISA-N 436.557 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2OCCC[C@H]21 2313260471 WBQGWBLHGKHHRU-FCBCXNLDSA-N 444.616 4.590 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(Cl)cc1Cl 2321004187 AWQRMNLZOPHDHC-UHFFFAOYSA-N 439.324 4.701 30 10 IJEE CC(C)CN1COc2ccc3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O 2322071194 HACLBGXVAQCPJR-UHFFFAOYSA-N 427.884 4.631 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2F)c(OC)c1 2322904139 BIQXIEYTICHROM-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OCc3nc(O)c4ccccc4n3)c2)c1 2323068421 QNLDYHXSJFVGRZ-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccccn2)C3=O)cc1OC 2323069187 QSLGJQORTLAWNC-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 2323828902 GBPIXQOVMXTLNC-UHFFFAOYSA-N 442.508 4.577 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O 2325044833 UFHLENFUSGMLJV-UHFFFAOYSA-N 440.492 4.741 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)C(=O)C=Cc1ccc(Br)cc1F 2325702557 LMBPZPDQQLTGRW-UHFFFAOYSA-N 426.669 4.780 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cc(C=CC(=O)c2ccccc2)ccc1OC 2325731212 IIZUGXSEMSRVSB-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)COCc1ccccc1 2325753345 PMQKUIAPRLSUHQ-UHFFFAOYSA-N 438.426 4.992 30 10 IJEE COCCC(=O)Oc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC 2325766059 BFECERGYXBALCN-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2326442094 SPSVSXKYLMRUDM-UHFFFAOYSA-N 430.961 4.999 30 10 IJEE COC(=O)c1cccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(C)o2)c1 2326772667 OLXHIYKOSSXEAF-UHFFFAOYSA-N 446.532 4.731 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccccc1OCC 2326846271 WXEGMBLKJGPHLG-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE CC(C)(C)NC(=S)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2330448674 PZAWHDGZYYXBTG-UHFFFAOYSA-N 428.989 4.970 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cccc(Cl)c1 2331640437 FXJBREZHZOVHQY-UHFFFAOYSA-N 427.961 4.805 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1cccc(OC)c1O 2331667890 KRRKXNRXVZPVDW-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1c(F)cccc1Cl)Nc1ccc(F)cc1 2331727392 MJXJKCWMEWKDAK-UHFFFAOYSA-N 447.898 4.700 30 10 IJEE C=CCN(C[C@@H](NCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2337141877 JAEGRESOZXEINV-GOSISDBHSA-N 427.383 4.669 30 10 IJEE C[C@H]1C[C@@H](N(C)c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339584835 HALDFGANKZMRSY-QWDFLICISA-N 433.405 4.825 30 10 IJEE CC1(C)C[C@H](SCc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)CO1 2349807011 GPXDKJDUHRERDQ-AWEZNQCLSA-N 427.213 4.549 30 10 IJEE CCCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)OC)C3)c1 9446718 HUEKSPGDSGMYKG-UHFFFAOYSA-N 427.526 4.566 30 10 IJEE COc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1OC 9731772 JXSAGRJGJRGPAN-QFIPXVFZSA-N 430.508 4.620 30 10 IJEE O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl 13302433 RVBKSRUQKKIGSA-CLCOLTQESA-N 427.247 4.699 30 10 IJEE O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 33424099 MCGKCNNVXULKEU-LNUNWCPQSA-N 426.424 4.936 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102521097 OGCGODNOQIMXPG-HQMFNGAOSA-N 438.480 4.534 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)c(OC)c1 103090333 ONROONPVUBWOCT-UGUGFTGJSA-N 429.472 4.639 30 10 IJEE Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](C#N)c4ccc(F)cc4F)cc3)o2)c1 111029746 PNERZYVXRUBPDG-OAQYLSRUSA-N 430.414 4.985 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1C 169955152 WMIFMOAQGNXGOD-QHCPKHFHSA-N 430.504 4.741 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2)cc1 170029119 VQULRORGBIFVBQ-XMMPIXPASA-N 441.483 4.803 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 170063771 BFXMRHAQNWQERE-JOCHJYFZSA-N 446.409 4.628 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170114470 UIUYTLGUYRYMTL-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(N(C)C)cc1 170129717 PKXGCXRIXKLUMK-MZNJEOGPSA-N 448.563 4.845 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 170146070 DHIVKSJRUXKHGF-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccs1 170154516 BVWGCGDIRLQRDO-SFHVURJKSA-N 429.494 4.736 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccnc1 170195893 WEIARQKKPDXBSR-FQEVSTJZSA-N 428.916 4.902 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(OCC)cc1 170213754 CTZRCLIUHRWQDB-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccncc1 170275140 AWDMVKLVYVEYGL-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(=O)OC(C)C)c2)c1 170460180 VEMWYPNOZPTUFN-JOCHJYFZSA-N 445.471 4.936 30 10 IJEE Cc1nn(C)c(CC(=O)/C=C\c2ccc(NC(=O)OC(C)(C)C)cc2)c1Br 405945875 XKQBYNMGYVEZGA-FLIBITNWSA-N 434.334 4.663 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 436326864 QQQHGKWVVQNTCB-FPOVZHCZSA-N 441.560 4.767 30 10 IJEE C=CC[C@H]1N(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCO2)CCCC1(C)C 460894418 JIPJOYPCBKOLTG-DENIHFKCSA-N 440.588 4.616 30 10 IJEE CSCc1cc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1F 473952348 WHHCJNRJUARDSC-CQSZACIVSA-N 427.526 4.768 30 10 IJEE COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 478831096 DTLNPTSXTIHXGC-RUZDIDTESA-N 435.483 4.564 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1noc(Cc2ccccc2C)n1 481389998 KEJOUZQQRMJVHO-UHFFFAOYSA-N 433.537 4.618 30 10 IJEE C=CCCc1ccccc1NC(=O)N(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 505034102 ANASAAKLWLNLMC-GOSISDBHSA-N 427.570 4.570 30 10 IJEE N#C[C@H](NC(=O)c1c(F)cccc1I)c1ccc(Cl)c(Cl)c1 505959206 DXQUVBJKNHFKJL-ZDUSSCGKSA-N 449.050 4.732 30 10 IJEE Cc1ccc(SC2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(F)c3)C2=O)cc1 526659862 DMSVKMLOIOXYKO-UHFFFAOYSA-N 429.476 4.995 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Br)ccc1O 526801443 RHUQTZCGOSMTFP-FBHDLOMBSA-N 435.322 4.622 30 10 IJEE CCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(OC)c(OC)cc1OC 526816689 LEOOBBXPDYEZJY-FMCGGJTJSA-N 446.960 4.694 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(OC(C)=O)cc1 526816923 QBLDHPVAQGXACU-QRVIBDJDSA-N 428.945 4.984 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(C2CCOCC2)CC1 584303505 VOHACPTUAXOPEV-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 609501622 TVBFEUKIRAMGBD-UHFFFAOYSA-N 438.487 4.812 30 10 IJEE CC#CCC[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 710413535 FZWKAULAROSFLN-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)n1 730829336 CNTPWJYWPXSKTQ-RBUKOAKNSA-N 447.589 4.696 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739590242 HOTANFZKTGFNFG-RBUKOAKNSA-N 425.554 4.596 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2CCC(Cc3ccc(OC)cc3)CC2)c1=S 749889091 ZWUNQZHHJHFXMU-UHFFFAOYSA-N 435.597 4.583 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2)c1C 766623913 VNGRZCIOZGXLEI-IBGZPJMESA-N 438.890 4.805 30 10 IJEE Cc1ccccc1OCc1nn(CN2CCC(C)(C#N)CC2)c(=S)n1-c1ccccc1 779880102 WTCCFZRLBJDIPJ-UHFFFAOYSA-N 433.581 4.874 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1c(F)ccc(Br)c1F 785194477 DWFKVAPAZRBOQD-UHFFFAOYSA-N 442.281 4.801 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3cc4ccccc4c(Cl)n3)nnc12 787487712 QWSFWJKAVVZCCN-UHFFFAOYSA-N 433.924 4.724 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 796793518 SGBZKLSRMYRTPF-KPZWWZAWSA-N 433.291 4.558 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1sc(C)cc1Br 1124607370 MPCDVUZNYLIDJV-UHFFFAOYSA-N 425.300 4.562 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 1125832401 HIEQMKVNXAVWKD-NRFANRHFSA-N 425.960 4.540 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 1126160327 VYGFENSTLOIZGT-UHFFFAOYSA-N 434.496 4.630 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1126230471 YFUQNFHENLKWDR-NSHGMRRFSA-N 428.301 4.677 30 10 IJEE C=CC1(CC(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)OC)CCCCC1 1127694853 KJVTYWKVCHJNQV-SFHVURJKSA-N 447.373 4.657 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1 1161337183 XECAZXNQMPIMMN-UHFFFAOYSA-N 437.334 4.520 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 1161620236 YVIKDDTYIWXLFQ-IBGZPJMESA-N 442.934 4.782 30 10 IJEE C=CCn1c(SCCOc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CCCCC3 1164444088 IQTRLKHZBAGWQH-UHFFFAOYSA-N 437.590 4.956 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CS(=O)(=O)c3cccc(F)c3)c2C#N)C1 1166816684 HMQHJQXDXREYMY-CQSZACIVSA-N 448.585 4.712 30 10 IJEE COc1cc(CNCc2cc(C#N)ccc2Br)ccc1OCC(F)(F)F 1177213673 BCLACUOZONWMCX-UHFFFAOYSA-N 429.236 4.560 30 10 IJEE C=CCN(C(=O)CN1C[C@H]2[C@H](C1)C2(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1195721068 NHABDSHDHZGZHJ-STQMWFEESA-N 444.334 4.833 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1cn(-c2ccccc2Br)nc1C 1205751718 CKAVOJPXBMMKBG-UHFFFAOYSA-N 430.346 4.607 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(F)c(C)cc2F)c1 1207997881 UKATUYVYFXEABX-UHFFFAOYSA-N 444.455 4.837 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@H]4CC[C@]43CNC(=O)OC(C)(C)C)cc21 1209773652 IAIQAWHNIJXDJW-UUOWRZLLSA-N 439.560 4.524 30 10 IJEE CN([C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)Cc1cc(C#N)ccc1F 1211363290 HKYPONVAVBDGSO-AZUAARDMSA-N 440.462 4.814 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1)C1CCOCC1 1217158414 DGVKERGGMGDIAF-FQEVSTJZSA-N 430.451 4.514 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1230499201 SGHPAIPWBCUMGD-RTBURBONSA-N 433.733 4.560 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(N3CCCC3=O)ccc2F)s1 1264731204 DKBCCAJZGZDDMY-UHFFFAOYSA-N 439.965 4.743 30 10 IJEE C=CCC(CC=C)C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1264885018 VKRVQPGNCAZLGZ-UHFFFAOYSA-N 442.556 4.950 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)c(F)c1 1269600359 OMBFPAGOJPYXMQ-JOCHJYFZSA-N 432.426 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1286279105 SPKFQOIINXDCKY-CADBVGFASA-N 430.980 4.735 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1286318292 NCWFVPFMJUGOQE-MOPGFXCFSA-N 426.586 4.588 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1286496299 POAHNZZPBQCBHB-BEFAXECRSA-N 436.984 4.528 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC12CCOCC2 1286568214 QVNIJOKGVFSPDJ-RTBURBONSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccc(O)c2)CC1 1286656275 VDUVJZIJPFFWCF-UHFFFAOYSA-N 445.386 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1286673410 BDBGKKNTNQCSGU-UHFFFAOYSA-N 438.645 4.954 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCc2cc(Br)ccc2C1 1286697190 FBRUXLRSDAQJKM-UHFFFAOYSA-N 426.362 4.575 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCC[C@H]21 1286698783 HDXYPYMDRCUPHX-AZUAARDMSA-N 429.609 4.738 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1C 1286713347 XAXGGGKVWVPUED-JOCHJYFZSA-N 437.613 4.876 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1286738831 FRPNARJFXBUXSN-JFJDKTSWSA-N 443.680 4.720 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1cccc(NC(C)=O)c1 1286763927 ZEXUFOQHLPXSCU-UHFFFAOYSA-N 445.523 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN(C)C2CCCCC2)C1 1286805382 SECGOPLEUJVZQQ-HXUWFJFHSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1286823595 OVAGLHMOTBGTPL-IBGZPJMESA-N 439.629 4.569 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CC)C1 1286834499 FVRNBYCVACCVLE-FQEVSTJZSA-N 444.645 4.689 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2C[C@@H](C)Cc3cccc(F)c32)nnc1-c1ccco1 1288062595 ZTYWPKQRHZFUNY-HNNXBMFYSA-N 426.517 4.571 30 10 IJEE C=C(CN(C)C)C(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1293462129 LQFLGJNDQGFRLG-HXUWFJFHSA-N 431.374 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CC[C@@H](OCC)C1CCCC1 1300574672 GAJLUWXLCHANRB-RUZDIDTESA-N 443.595 4.875 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCCOC(C)C 1300643050 ODLPRUWJIWGNFB-UHFFFAOYSA-N 441.938 4.588 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCSC(F)(F)F 1300650648 WPZPPZZMLLGZIQ-UHFFFAOYSA-N 428.499 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(CC)(CC)SC 1300815837 BYQRKJIIGYEWKE-HSZRJFAPSA-N 437.613 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nccs1 1300868618 FUBMRHFKIULDFN-APWZRJJASA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1nnc(C)s1 1300905451 RCFLUXBGLKDRKV-OAHLLOKOSA-N 442.658 4.936 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1300909220 PAGMQNMVYVVLKG-XMMPIXPASA-N 446.599 4.588 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1301055742 RVOAMLVCEHUDKP-BTYIYWSLSA-N 440.922 4.547 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC)[C@H](C)C1)c1ccccc1 1301166297 TYIHKNQELLEDQA-OFNKIYASSA-N 435.641 4.821 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1301383895 JYJHMCKPQURTIG-UPVQGACJSA-N 429.568 4.995 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@]1(C)OCCc2sccc21 1301403082 UTQQVRZEKHFHOZ-DEOSSOPVSA-N 440.613 4.953 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)CN2CCCCC2)C1 1301545132 DLUSNICXXIJHOK-WOJBJXKFSA-N 444.023 4.502 30 10 IJEE C=CCOC[C@H](NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)C(=O)OC 1308722087 GURQREYFPQKCAD-SFHVURJKSA-N 428.287 4.759 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@@H]2CC)ccn1 1314584302 CXMFTQVWFWLOFB-UWJYYQICSA-N 432.597 4.997 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C(C)=C/c1ccc(Br)o1 1351585876 JHAAYRFVYFKCTA-FMIVXFBMSA-N 435.270 4.575 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)CCc2cccc(F)c2)c(C(=O)OCC)c1C 1352311106 CZOPRBXUTXJKRD-CQSZACIVSA-N 447.528 4.923 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CN(CC)CC)C1 1358924478 XRCOJDBCBMOYNI-QGZVFWFLSA-N 434.415 4.833 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC[C@@H](C)C1 1358981193 AMSYEVVFWQRFSS-CTNGQTDRSA-N 439.003 4.761 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OCC 1358988452 PLBWJXAZSDRLSH-UHFFFAOYSA-N 441.579 4.548 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CC=C(C(F)(F)F)CC1 1359053687 VQPINUHNACPQHI-UHFFFAOYSA-N 443.498 4.559 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2C)C1 1359129204 VAWIFEWTAREYOQ-FQEVSTJZSA-N 437.975 4.889 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1359134668 CVSUCQGSFMFFLV-OAQYLSRUSA-N 438.597 4.526 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1359161487 GCHZJOLIVXKAFJ-NRFANRHFSA-N 439.604 4.967 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2CCc2cc(Br)ccc2F)CC1 1359180598 LBHGLBOJTZUVQP-UHFFFAOYSA-N 433.369 4.777 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1359203561 QXNJXHHCCPEZQT-QYZOEREBSA-N 435.588 4.543 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1359226357 DMHTVHCGHKHVLB-FQEVSTJZSA-N 434.943 4.509 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1c(F)cccc1Cl 1359341202 OYBJZRVVDNQVPZ-UHFFFAOYSA-N 431.968 4.997 30 10 IJEE Cc1cc(=O)c(C(=O)Nc2cc3ccccc3cc2C#N)nn1-c1ccccc1C(F)(F)F 1436719290 CLDIDYPKAYJONI-UHFFFAOYSA-N 448.404 4.837 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)Oc1c(F)cc(C#N)cc1Br 1438001784 ZDZUHNIMMONFDB-XBXARRHUSA-N 429.039 4.824 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3ccccc3)c3ccccc3)ccc2c1=O 1441965174 FVNZFNPYSTWULQ-UHFFFAOYSA-N 427.529 4.718 30 10 IJEE C#CCOc1cccc(NC(=O)CCCCc2ccc(I)cc2)c1 1456310858 XOVGMPYNRZRTCM-UHFFFAOYSA-N 433.289 4.655 30 10 IJEE CCC[C@@H](C)N(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nc(C)c(C(=O)OCC)s1 1456635533 DWGMYZDSKFRQRP-MDASCCDHSA-N 425.554 4.825 30 10 IJEE C=CCn1c(S[C@@H](CCc2ccccc2)C(=O)OCC)nc2sc(C)c(C)c2c1=O 1458823796 JKWNINBRTUAFRQ-SFHVURJKSA-N 442.606 4.917 30 10 IJEE C=CCOc1ccc(CN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C(C)(C)C)cc1 1459746660 IBHGRMHBAZTTQD-DEOSSOPVSA-N 440.559 4.591 30 10 IJEE COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1460171785 CUGUPNZDIXYVQH-PMACEKPBSA-N 432.442 4.643 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC1(c2ccc(Br)s2)CCC1 1465779344 FFHNCDSHLSNXPB-UHFFFAOYSA-N 437.334 4.905 30 10 IJEE C=C(C)CONC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1469741106 GDYUWXCGHBVWSS-UHFFFAOYSA-N 432.476 4.556 30 10 IJEE C=CC[C@@H]1CCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 1472262377 XJACVYLIKCRRLZ-QGZVFWFLSA-N 428.945 4.509 30 10 IJEE C=CCn1c(S[C@H]2CCN(OC)C2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1472915979 BMNNFJFCVBKFNR-WBVHZDCISA-N 446.642 4.598 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 1473137523 QOYJFWGQYGWYDN-LJQANCHMSA-N 433.552 4.975 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)Cc1cc(F)ccc1OC)c1ccc(C(F)(F)F)cc1 1475124056 WAOYRUBCWBTGBF-GOSISDBHSA-N 431.451 4.980 30 10 IJEE CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1499398630 GLFQAIDVAOBXIC-APWZRJJASA-N 436.947 4.569 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccc(C)s1 1507522284 UWQJNFCFEBBPLV-CYBMUJFWSA-N 445.386 4.592 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C)(COC)CC1 1507555146 HYSJPSAIKXYVRS-UHFFFAOYSA-N 432.515 4.603 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1507575394 FOTWZMDZJKNVID-QFIPXVFZSA-N 429.568 4.709 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(C)ccc1F 1507579251 PPXKRDYKTNMQMV-UHFFFAOYSA-N 430.325 4.533 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1Cc1sccc1C 1507662091 OGQLCVNMTFXLEM-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1sccc1C 1507665532 WWSLWDDNNWHGAH-UHFFFAOYSA-N 438.984 4.683 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H](c1ccco1)N1CCCC1 1507701705 OXCHITNIAALSIE-QHCPKHFHSA-N 449.574 4.686 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC[C@@H]2CCCO2)CC1 1507897261 GZBUCOOXNGXWRH-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1507912505 VEBSEWRHLLGYDU-UHFFFAOYSA-N 445.615 4.981 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507972940 NAILFFYVKBFPAG-WIYYLYMNSA-N 442.604 4.814 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)C(C)C)C1CC1 1507996246 WAXXAZOSZQAXQN-RUZDIDTESA-N 426.605 4.716 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1508000862 FJKRLKBRKXUQTD-YADHBBJMSA-N 432.616 4.597 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1CC1CCN(CC(F)(F)F)CC1 1508004587 NFXXYIWMCSQLFH-UHFFFAOYSA-N 433.522 4.622 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1cccs1 1508106671 ZBXJMHDLDRDNMU-KRWDZBQOSA-N 434.569 4.551 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1509999430 GNAUTPCFKCBGRV-LSTHTHJFSA-N 436.585 4.642 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCc1cc(C(F)(F)F)ccn1 1511226000 ICVBJEOGVLPYFB-INIZCTEOSA-N 428.462 4.648 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1)OC 1512749729 AWRDAXHFCLFRBQ-MBSDFSHPSA-N 448.571 4.791 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 1515554148 YXXRXVPUBSEMKH-OAQYLSRUSA-N 438.527 4.918 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Oc1cc(/C=C/C(=O)OC)ccc1OC 1525289295 QIIHAODBUKIHFA-UXBLZVDNSA-N 436.382 4.684 30 10 IJEE C=C[C@H](CC(=O)NCc1cc(Cl)cc(I)c1)c1ccccc1 1526253518 ADNSQCUYXZHARB-CQSZACIVSA-N 425.697 4.921 30 10 IJEE C[C@]1(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCCN(C(=O)c2ccccc2)C1 1526991855 CTLXQOZAVOTNCG-SANMLTNESA-N 440.503 4.627 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C#N)ccc2F)nnc1-c1ccc(Cl)cc1 1528040146 CKJUOCGFRMSLRA-UHFFFAOYSA-N 427.892 4.526 30 10 IJEE C=CCN(C)C(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1529596819 PUVYAOORQREWTL-UHFFFAOYSA-N 436.577 4.686 30 10 IJEE C=C(C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1534951604 VJCYHQNMXKMYOA-UGKGYDQZSA-N 425.500 4.922 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)cc1OC 1535131452 VBHOTBBVRJSPSR-ANVLDHPDSA-N 434.580 4.692 30 10 IJEE C#CCN(C(=O)C[C@@]1(C)CC1(Cl)Cl)[C@H]1CCOc2ccc(Br)cc21 1538198666 JUVVOWQKAVOADU-YOEHRIQHSA-N 431.157 4.709 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCNc1ncc(Cl)cc1Cl 1538995623 ONOOXZUPCXWDQT-CYBMUJFWSA-N 449.773 4.870 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCCN1CCCC 1539305824 QPZRIQZGGZVOQF-RUZDIDTESA-N 431.628 4.625 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1539344851 LFVUEUZPYPCFBJ-GJZUVCINSA-N 433.644 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1ccnc(OCc2ccccc2)c1 1539534625 VDFFFRRWRJFBHD-RXFWQSSRSA-N 429.568 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C)C1 1539624333 SBNIEBKTEJQMML-LZJOCLMNSA-N 430.980 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1539656294 VAXHZOZNJFQOIW-SFTDATJTSA-N 425.621 4.724 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539831862 NIICDTKIKZZPPR-CTNGQTDRSA-N 439.604 4.890 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(CC(C)C)CC2)CC1 1539835270 BASIMZIRQNJJCG-UHFFFAOYSA-N 440.588 4.954 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1539878325 ZOLJHINDGSRJEI-QFIPXVFZSA-N 446.473 4.699 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1539968074 OXLHBYIBKAGRFA-UHFFFAOYSA-N 436.507 4.732 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC(F)(F)F 1539990450 KMRSLSLVXQXZDD-UHFFFAOYSA-N 433.272 4.681 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1540029481 RYMGVLKQXGHJKD-KOSHJBKYSA-N 439.629 4.854 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C(F)(F)F)cc1 1540108158 YQFVHCXTPBMWHI-RBBKRZOGSA-N 443.465 4.984 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1540108709 LKSBOTHMZGHJTE-BVZFJXPGSA-N 443.586 4.812 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCOC[C@@H]1C 1540191203 HGWVQVFYSRQMLZ-PZJWPPBQSA-N 426.605 4.554 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1 1541491962 BBPDSWFNXRYUBK-XUZZJYLKSA-N 441.645 4.582 30 10 IJEE C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 1544252645 AZHAKQUSZAJJHB-XXBNENTESA-N 443.522 4.957 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1545472719 GBAYYNKKWDHQSY-XFAGBWLFSA-N 433.560 4.775 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1557240234 RYAMURJPYHIPTC-GOSISDBHSA-N 448.364 4.716 30 10 IJEE C=C(CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)OCC 1559312444 BRXQUGGKWXRSMV-UHFFFAOYSA-N 436.867 4.529 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C[C@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1 1559514060 PZBDZKSQAIXAIA-NRFANRHFSA-N 426.532 4.578 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3N(C)CC[C@H]2C)n(-c2cccc(F)c2)c1C 1559600779 HNSISSAXNTTXML-QGZVFWFLSA-N 445.542 4.778 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)cc1 1562197428 LRJAKDJAYWIYHY-HXUWFJFHSA-N 433.549 4.541 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(I)cc1F 1563043903 PGFIIZBFFWARLJ-UHFFFAOYSA-N 440.256 4.972 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1)c1ccc(Cl)cc1F 1563544841 IUCXRSOXGCYZJY-GTNSWQLSSA-N 439.712 4.985 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1563641127 CYWJLOZFJQBPOT-IBGZPJMESA-N 435.568 4.945 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1cc(Cl)ccc1OC(F)F 1564474223 KPVAHLQWYQVYAD-CYBMUJFWSA-N 428.863 4.876 30 10 IJEE C=C[C@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)c1ccccc1 1566165012 PLUOWOBMNFSQIP-NZQKXSOJSA-N 441.499 4.544 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cc(Br)c(O)c(Br)c1 1584124414 DCPVBKJVGPZTLH-UHFFFAOYSA-N 439.147 4.788 30 10 IJEE CCOc1cccc2c1OCC(C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)=C2 1584393783 FZMKKQOHOSXZLI-OAHLLOKOSA-N 430.426 4.821 30 10 IJEE C=CCCC1(CNC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CCCC1 1587239735 PERPEKWXMIPIKR-UHFFFAOYSA-N 442.419 4.646 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1csc(CC)n1 1588271999 SKRGLHAPQXQOGJ-UHFFFAOYSA-N 444.608 4.879 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)Oc1cccc(F)c1 1588458923 JPXRYTQOCXZKII-CEMLEFRQSA-N 442.579 4.653 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1589427260 FVTWGFXFABLBML-HOTGVXAUSA-N 436.423 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCSC[C@H]1C 1589506460 WLMHGEGBNZHKNF-VCBZYWHSSA-N 436.984 4.661 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1589557138 GTPBSNUOYXXVNJ-XUZZJYLKSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCOc1cccc(F)c1 1589608161 CIRKLROWHYFKJG-UHFFFAOYSA-N 448.340 4.656 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1594071060 XUOGWUFMNAHFGE-SIKLNZKXSA-N 440.588 4.714 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCSC2(CCOCC2)C1)c1ccccc1 1594533257 ANLDRTLWDNGGHL-NRFANRHFSA-N 426.630 4.864 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1594644889 GSFSYIHFKQZLET-OAQYLSRUSA-N 441.576 4.707 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1594760851 RSTZKJCHBZREHV-JOCHJYFZSA-N 434.588 4.787 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC[C@H](SC)C1 1595366557 FXPYJDVPTYFBLM-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE C=CCC(C)(C)C(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1598011685 LGFBTNHZPLOHPM-UHFFFAOYSA-N 428.573 4.780 30 10 IJEE C=CCCSCCNC(=O)c1cccnc1Oc1ccc(F)cc1Br 1616881510 KZOZYSAAYTZKQT-UHFFFAOYSA-N 425.323 4.815 30 10 IJEE COCCC1(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@@H](C)C#N)CCC1 1619784136 AKDUYFGHCHVQTH-MSOLQXFVSA-N 441.645 4.934 30 10 IJEE C=CC[C@@H]1CCCN(Cc2nc(O)c3cc(Br)cc(Br)c3n2)C1 1620214681 LJTOOEBPPURRKO-LLVKDONJSA-N 441.167 4.649 30 10 IJEE C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1621247334 ABDCVYGLXFGMMA-VBKZILBWSA-N 435.877 4.947 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sccc2[C@H]1c1cccs1 1624638978 GPFCLWKIEJMDHK-APWZRJJASA-N 430.595 4.590 30 10 IJEE COc1ccc(C2(CNC(=O)CCCC(=O)Nc3ccccc3C#N)CCCCC2)cc1 1626595164 AVWULEGBXULLRZ-UHFFFAOYSA-N 433.552 4.694 30 10 IJEE C=C(CCC(=O)OC)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1631189650 GUPJYSHFBILHKG-UHFFFAOYSA-N 434.414 4.714 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 1634891618 WZRZXTMMXCGJIE-LJQANCHMSA-N 443.931 4.559 30 10 IJEE C#CCC1(NC(=O)N2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)CCCCC1 1638061271 NJLJPZJTCFASNG-UHFFFAOYSA-N 427.545 4.664 30 10 IJEE COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN(C)[C@@H](C)CC#N)cc1 1642257761 CJRSNNUMLXUYLG-SIBVEZHUSA-N 440.547 4.760 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)OC)c2ccccc12 1643388366 UPQFPMUDJPEHCZ-UHFFFAOYSA-N 427.460 4.629 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 1646393986 ZZEYKWQFABZKGH-KRWDZBQOSA-N 443.469 4.632 30 10 IJEE C=CCc1cc(CNCc2cc(Cl)cc(I)c2)cc(OC)c1O 1651245602 CYMFXMZLLHUQTF-UHFFFAOYSA-N 443.712 4.677 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCCN(c2ccc(C#N)c(Br)c2F)C1 1651321526 XQKGBIOYYPYUET-CQSZACIVSA-N 426.330 4.734 30 10 IJEE CCN(CC)C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 1652591671 HGTAXDGJJRPNFE-RBUKOAKNSA-N 444.689 4.763 30 10 IJEE O[C@@](CNCc1cnn(-c2ccc(F)cc2)c1)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1657165261 GVWUTWWCBXZTEL-SFHVURJKSA-N 447.354 4.570 30 10 IJEE Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)cc1Br 1667452792 DOUQLBQDQKBLKD-IEBWSBKVSA-N 433.371 4.526 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cccc(Oc4ccccc4)c3)C2=O)cc1 1668434613 AZTYNSMGTGWMIQ-HSZRJFAPSA-N 426.476 4.668 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1 1672209357 BQSPGHJLDWEJSD-IBGZPJMESA-N 435.293 4.758 30 10 IJEE N#Cc1cc(NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)c(F)cc1F 1672603551 HYPBZZAYOOMTTC-UHFFFAOYSA-N 436.256 4.674 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(Cc4ccc(C)nc4)C[C@H]3[C@H](C)CC)cc2n1 1675013069 QLZUJAKXOFPFTA-CLOONOSVSA-N 446.599 4.690 30 10 IJEE CC#CCN(C)C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1675818761 BZBAERYKVKHPCI-LJQANCHMSA-N 436.408 4.819 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)c1ccc(F)c(F)c1 1677435853 CXPVQESXAMIJIQ-HSZRJFAPSA-N 429.511 4.556 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cccc(Cl)c3OCC(F)F)CC2)c1 1678129194 AZRNNFLIYRDRSH-UHFFFAOYSA-N 448.901 4.642 30 10 IJEE C#CCN(CC#CC)C(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1680793607 GBLLWSKPCQYWJG-OAQYLSRUSA-N 432.417 4.633 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1)c1ccc(F)cc1 1682348734 LIYVSFOHLRGWEH-JOCHJYFZSA-N 432.474 4.685 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 1683512519 MKKBZWHHEULYNV-QGZVFWFLSA-N 426.141 4.972 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(OCCN2C[C@H](C)[C@@H](C)C2)cc1 1685932451 WOAYMOBQKWBINB-ISXFXILCSA-N 427.633 4.630 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1686918739 TURDRFDQQDJMNA-NRFANRHFSA-N 441.959 4.881 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)ccc1F 1689836149 ZDBUFQTXCFVKBW-HUUCEWRRSA-N 426.536 4.916 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](OCC)C1 1689879731 FQJOKDIRFBOYIE-OAHLLOKOSA-N 437.407 4.578 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccccn1 1689880095 QWNRPSBNTCBPFA-UHFFFAOYSA-N 438.373 4.851 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1689892443 GAUFBLSAXZSINZ-UHFFFAOYSA-N 437.607 4.841 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1689900508 GZGIJVBOMQOXJK-VWLOTQADSA-N 433.644 4.915 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1689955677 PIDDQWCNJXRNNV-VWNXMTODSA-N 438.616 4.891 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCCCC1 1690007500 FALUFJRGEQFSCK-UHFFFAOYSA-N 431.628 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1690238900 PATCPIWIKMNOEC-BKULYWANSA-N 449.599 4.756 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1cccc(Cl)c1 1690247875 HLNRCUKHHQLPNT-XMSQKQJNSA-N 432.996 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690426298 JRMSXFYGWIDZRM-UHFFFAOYSA-N 444.023 4.896 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C#N)CC1 1690453753 HVPKRDBDXCBHGN-UHFFFAOYSA-N 432.341 4.943 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1690460216 CWPRTJGDZQAOQG-FQEVSTJZSA-N 433.556 4.671 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@H](CC)C1 1690483276 MLGSRVJFYVFKQN-LJQANCHMSA-N 449.665 4.691 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1CCCNc1ccc(C(F)(F)F)cn1 1690528729 COOUYXDKRNSYCG-UHFFFAOYSA-N 444.505 4.716 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H](OC)C(F)(F)F 1690534531 ALGRKIQKJOWROS-OAHLLOKOSA-N 434.915 4.813 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC1(C)C)C1CC1 1690550421 WIIRGTPFRXWWQS-HNNXBMFYSA-N 431.378 4.821 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CCn1c(O)nc2ccccc21 1690573941 IUCKAWPZXAJANM-QGZVFWFLSA-N 436.585 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC)c1ccccc1 1690577079 BGFCYQRDAIHSCN-GHTZIAJQSA-N 435.597 4.677 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCCCC2)C1 1693624811 HGVOOOSDEQZDAB-LGVFNWMJSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](CC(C)C)N(C)C 1705503526 XXTJQNCJEVPNMT-IFMALSPDSA-N 439.648 4.589 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1705526265 HUJRQIYMKBLMNN-NRFANRHFSA-N 436.581 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCC1(C)C 1705592187 RPUDSZPLQPYUPX-IBGZPJMESA-N 426.511 4.836 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(COC)CCCCC1 1705592656 PUFVZRNKIPDEKK-UHFFFAOYSA-N 442.966 4.797 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(C)C 1705613795 PTGBCEKLBZPGIA-LJQANCHMSA-N 431.625 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705695093 VGIGCFABQYXELU-FOVJLYNBSA-N 431.584 4.938 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1705765683 WWMDQTLDNJUJRF-UHFFFAOYSA-N 437.510 4.667 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1705806776 MEHCREGXNDCKQF-FQEVSTJZSA-N 436.560 4.551 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1nc2cc(Cl)ccc2s1 1705845686 CERJKJOXWYUMGI-UHFFFAOYSA-N 430.990 4.567 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2ccsc2)C1 1705929388 PROJFXZNXNVUOR-OAQYLSRUSA-N 438.597 4.559 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1706462115 BQGOUPIZWFLPBJ-PZJWPPBQSA-N 427.568 4.589 30 10 IJEE Cc1cc(C)n(Cc2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2CC(C)(C)C(C)C)n1 1707820486 HZLKHKLVADCSOG-UHFFFAOYSA-N 445.615 4.863 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1722300768 GNAJLOAQAMTFEV-INIZCTEOSA-N 430.980 4.578 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 1722328736 VCGFCSOBPNRLDF-UHFFFAOYSA-N 430.455 4.506 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCC1=CCCCC1 1722376784 CPKXSFSVHIMSGP-UHFFFAOYSA-N 441.348 4.810 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C)c1 1722389999 NRHXWMUKTIKMGO-HXUWFJFHSA-N 428.605 4.951 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC1CCCC1 1722411763 PCTHJTBSWQWQHV-OAQYLSRUSA-N 443.636 4.823 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722452260 OEKUVNJFYZDZJI-LJQANCHMSA-N 433.021 4.749 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1722479276 BHQRXXWDSLUMDP-RCBQFDQVSA-N 436.785 4.917 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1cccs1 1722488307 GFDSICBVGMDKBX-INIZCTEOSA-N 430.375 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722491874 OPYIAQKWNMVSEZ-NQIIRXRSSA-N 445.007 4.524 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1CC1CCN(Cc2cccs2)CC1 1722634619 RHOJZHLWTKSWLS-UHFFFAOYSA-N 437.613 4.550 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(F)(F)F 1722660149 NKVIZSZYBTZNCT-UHFFFAOYSA-N 436.457 4.599 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H](SC)C(C)(C)C 1722673189 KZAWMSLGGGQQFU-NRFANRHFSA-N 438.645 4.691 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1726822048 FWGHAOJLAGTXKK-KCYKTTMJSA-N 441.645 4.668 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740570338 PFHMYENXNOJWRE-WIYYLYMNSA-N 433.383 4.777 30 10 IJEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1740578944 HIIFNFYCCWUDCE-UHFFFAOYSA-N 448.567 4.851 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)CC[C@H]1C 1740582497 OEPXEGUYHNISBC-JKSUJKDBSA-N 431.378 4.754 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC1CC(OC(C)(C)C)C1 1740601885 MDKDMTCRFMVWHQ-UHFFFAOYSA-N 431.584 4.855 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](CCC)C1 1740710717 AVSDSQYJFBJIIG-LJQANCHMSA-N 444.670 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](C)c1nc(C)cs1 1740733366 BSZOEEKWIMDARI-HOYKHHGWSA-N 435.597 4.726 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](C(CC)CC)N(C)C 1740734461 FYZHAUJXNDHSFX-JYFHCDHNSA-N 437.632 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CC[S@@](=O)C(C)(C)C 1740776732 AZARZIDPZHWWSU-GDLZYMKVSA-N 434.675 4.828 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnn(CC(C)C)c2C)CC1 1740827644 FBJMHSOPJSQLBW-UHFFFAOYSA-N 448.615 4.840 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)c1ccco1 1740868256 HNBCHLYJVGNYPO-MRXNPFEDSA-N 427.936 4.618 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1ccco1 1740918467 LMFIVUAWDYBDGP-DEOSSOPVSA-N 449.942 4.687 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(F)(F)F)C1 1740972092 CPYXLKOQNVCDPL-LJQANCHMSA-N 434.506 4.872 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCN2CC)C1 1740974073 BJLNXEYVFVOUGO-PKTZIBPZSA-N 437.632 4.508 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1744853385 DTJRDULBHLYWJZ-IAGOWNOFSA-N 445.409 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)CCC 1748639132 BYHXNMVXDXWHDL-BSRJHKFKSA-N 432.996 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C)CCCC1 1748685418 ZRXUZAKYZAIXRO-MRXNPFEDSA-N 431.378 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](CC)O[C@H](C)C1 1749356242 ZKNWKUFJNDWOOI-ZBFHGGJFSA-N 436.398 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1749364287 PAIYRKOOTJFTPV-UHFFFAOYSA-N 444.627 4.881 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1749366234 AHLFMDAXJDRFMC-FGZHOGPDSA-N 440.588 4.709 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749390616 HJDHGGDRXYGAQS-OALUTQOASA-N 432.515 4.766 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](c1cccs1)N(C)C 1749467740 ZYPSRKNQWIWOLT-KRWDZBQOSA-N 446.418 4.694 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2CCCC[C@@H]2C1)C(C)C 1749557045 FUFOZDCLZIHCST-CQOQZXRMSA-N 436.648 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)c1ccsc1 1749564383 VTURFHIMQNFTSD-JOCHJYFZSA-N 444.988 4.755 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2sccc2C)C1 1749718754 HOMMRCFBUWLPSK-HXUWFJFHSA-N 438.597 4.619 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC[C@H](F)C1 1750792002 HDMNDNJYKCUGAQ-MJGOQNOKSA-N 427.524 4.578 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C 1751352570 CMGMQGDCYXSFFJ-QFIPXVFZSA-N 446.580 4.719 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)c1c(C)noc1C 1760295570 GRPBOHSVSDRLBM-UPCLLVRISA-N 437.975 4.923 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCN1C1CC1 1760330038 QKKPMIQYWFVGFO-FPOVZHCZSA-N 441.595 4.977 30 10 IJEE C=C(C)Cn1c(N2CCSC(CC)(CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760349758 YNLACNJTVHGEAS-HDICACEKSA-N 449.665 4.737 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1760356459 OBLAOLWGNHLAQP-FQEVSTJZSA-N 434.943 4.509 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCCc1ccccn1 1760373545 WBIQFPVWMWKQFV-UHFFFAOYSA-N 434.931 4.817 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C=C)CC1 1760409587 ZWKGRNZZZYFROL-UHFFFAOYSA-N 440.588 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1760415333 VVJVTURKXYANRH-NRFANRHFSA-N 436.579 4.875 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@H]1C 1760434626 HKPOFARFYZMAJJ-CYBMUJFWSA-N 425.371 4.755 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCc1ccsc1 1760479582 UGCFHZNIYZQODF-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760507944 SRAISRLIHGWBKN-HNNXBMFYSA-N 431.874 4.506 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCSC(C)C)C1 1760545123 OAOCRQNPAHEBOY-IBGZPJMESA-N 439.585 4.523 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760559072 CHJQCVNNMHQKPF-YUMYIRISSA-N 426.630 4.600 30 10 IJEE COC1(Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@H](C)CC#N)CCC(C)CC1 1768233560 HKUMRILPPIZDQV-ABGUIGEDSA-N 434.588 4.615 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1c(C)ccc2ccccc12 1861900855 BEAFKKIOHBOSSW-XMMPIXPASA-N 430.523 4.829 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 1862204610 HTJDUAGMTGNBCG-QPPBQGQZSA-N 434.580 4.505 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862446543 VFZUQAHGYKVUGB-OAQYLSRUSA-N 438.911 4.825 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@@H]2c2cccc(C)c2)cc1 1862475673 RRRQEKZQMMNPHA-XMMPIXPASA-N 437.499 4.958 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(OCC)cc1 1862493523 RPOCPOCFMLIDNV-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc(Cl)cc(Cl)c2)c1 1862498360 GJYKWJAHMYAYAM-ORAYPTAESA-N 434.319 4.569 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2)cc1OC 1862576465 VHLIQBBJEQUXRU-QUZZAMIASA-N 435.520 4.861 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 1862650039 MLJBJWLZBKCQNH-XMMPIXPASA-N 446.522 4.899 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(Cl)c2C)=C(c2ccc(Br)cc2)C1=O 1863195464 YYBMCWSOURMELR-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2ccc(F)c(C)c2)C1=O 1863463042 BMZIBZKXBJWWML-UHFFFAOYSA-N 429.289 4.583 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc(O)c3cc(Cl)cc(C)c3n2)c(C#N)c1C 1866511628 ZSICOMNJOQIPKL-UHFFFAOYSA-N 429.885 4.573 30 10 IJEE Cc1cc(O)c(CN2CCC[C@H](CO)C2)c2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871398586 KOHHFYGBLJFBDK-MWUGMZIQSA-N 448.346 4.828 30 10 IJEE CCCCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871537188 ZXPMDRDBSYJTKO-UHFFFAOYSA-N 442.608 4.587 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872075549 AIKNJNRXBKPTHK-HXUWFJFHSA-N 428.598 4.768 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872091950 DXIIVWILLRZNQR-JOCHJYFZSA-N 428.598 4.850 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872130672 DSMKGQLMJYTAEU-JOCHJYFZSA-N 428.598 4.924 30 10 IJEE CCCCCCCCNC(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1872881111 BFFZWXWKWGAHJK-UHFFFAOYSA-N 431.621 4.830 30 10 IJEE Cc1nc(SCc2ccc(C(=O)NCCOc3ccccc3)cc2)c(C#N)c(C)c1C 1872895498 XQELNIMFAQANPY-UHFFFAOYSA-N 431.561 4.980 30 10 IJEE COc1cccc(/C=N/Nc2ncnc3[nH]cnc23)c1OCc1ccc(Cl)c(Cl)c1 1873792346 CYIAHLMRKGBDAY-FLUNURKVSA-N 443.294 4.693 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc(OCC)c1 1874262059 FWAKMELDDRTNSH-ZMOGYAJESA-N 432.496 4.918 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874267647 IHPYZWQWPHFQPD-WSDLNYQXSA-N 430.917 4.593 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(OC)c1OCC 1874376848 RNMKGZXVLJRMNV-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874400378 PIYYDBDSQVUTSG-HJQVIKLGSA-N 449.363 4.884 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874488797 JVKOQUXQCFLWQP-AFUMVMLFSA-N 432.553 4.571 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1sccc1C 1874503819 BEUPQLUUNIDVDS-WSDLNYQXSA-N 427.599 4.830 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2C(C)C)cc(Br)c1OC(C)C 1874509874 ZNSQRKFPJGWQHW-DJKKODMXSA-N 427.368 4.564 30 10 IJEE COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1OCC(=O)NCc1ccccc1 1874580360 KETVNJABDVMRKS-CCEZHUSRSA-N 429.516 4.903 30 10 IJEE Cc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1[N+](=O)[O-] 1874707381 CGHTULZNYOJIJS-RMKNXTFCSA-N 431.400 4.747 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)c1 1875144874 SVWFAGGLRXGSJI-RMKNXTFCSA-N 445.493 4.557 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875159007 XGRFWNHDCQEGTO-IZZDOVSWSA-N 432.451 4.777 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)cc1F 1894896258 WSXBHKFXOWDYSD-SJORKVTESA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(Cc3ccccc3)C(=O)OC(C)(C)C)C[C@H]2C1 1953231510 SAIBQPWKZPEWDO-NXKWYNOOSA-N 441.572 4.963 30 10 IJEE C#Cc1ccc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1957977445 MCCUQKSXWWHHBQ-UHFFFAOYSA-N 426.516 4.618 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@H]2C1 1996806463 KSVCANOGNOYWKE-ROUUACIJSA-N 427.545 4.967 30 10 IJEE C#CC[C@H](C)C[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2020077869 IRSIDONQVYQPPM-JTHBVZDNSA-N 427.633 4.574 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)cc1)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034818060 ISLINJGKHIBNAI-JOCHJYFZSA-N 426.564 4.519 30 10 IJEE CCc1ccc(Nc2ccccc2S(=O)(=O)/C(=C/NN)C(=O)c2ccc(C)cc2C)cc1 2065383277 RCTISQJHRBOFTN-LFVJCYFKSA-N 449.576 4.571 30 10 IJEE Cc1ccc([C@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)c(F)c1F 2079856594 SRBRPPIUSSBXSD-HNNXBMFYSA-N 447.267 4.826 30 10 IJEE Cc1nn([C@@H](c2ccc(C(C)C)cc2)C(C)C)c(I)c1C=NO 2079880570 FRTYUPSPSCLNGO-QGZVFWFLSA-N 425.314 4.973 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(C#N)c(Br)c2F)C1(C)C 2105977602 CTXKQEXHFBIBAS-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2124539267 SYHSHVROBUXKLJ-UHFFFAOYSA-N 442.365 4.788 30 10 IJEE FC(F)(F)[C@H]1CNC(=NCc2cc(Br)ccc2Br)SC1 2161563112 OKWWMKYVXRGKGZ-QMMMGPOBSA-N 432.103 4.583 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1C#N)C1CCCCC1 2181108810 XDSMXPQMZYHDHP-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181145474 HHUADFOJXWAGIJ-MGPUTAFESA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](O)C#Cc1cccc(Cl)c1 2212454747 MGDGMJQVRIFAIF-FCHUYYIVSA-N 429.944 4.553 30 10 IJEE C[C@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2219965796 WHILCKMYNHRHSV-XUVXKRRUSA-N 440.462 4.531 30 10 IJEE CN[C@H](C#Cc1ccc(C)cc1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2231148400 LNZDTZKWDSIGSQ-NAKRPHOHSA-N 448.607 4.779 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@@H](C)CN1C(=O)OC(C)(C)C 2235716224 FFJLVPZMPLWREG-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@@]2(COc2cc(Br)cnc2C#N)C1 2239191255 GJQQNJJYAILWTR-VLIAUNLRSA-N 436.350 4.522 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)C#Cc2ccccc2F)C1 2255253239 HXAOFFQCGPXAAQ-SANMLTNESA-N 437.511 4.590 30 10 IJEE CC1(C)CN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CCCN1Cc1ccccc1 2255528532 BZVYXWOVBLQCPS-UHFFFAOYSA-N 426.410 4.516 30 10 IJEE C=CCCC1([C@@H](N)Cc2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266300042 DYVGCBLFRSYEQZ-KRWDZBQOSA-N 427.358 4.661 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)c1ccccc1 2296216184 IBYRQHRECQGAEK-IBGZPJMESA-N 429.358 4.830 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 2296216631 MIIZMCKHMAMOQE-UXHICEINSA-N 429.358 4.655 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1(CC)CN(C(=O)OC(C)(C)C)C1 2296278682 GSUOBLHQZLDXEP-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2296299559 WQWQBVREOFVUGR-LMCOJAPRSA-N 433.390 4.567 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C12CCC(CC1)N2C(=O)OC(C)(C)C 2296307863 ZUVGTOWNDPNDDP-GSVIPDFHSA-N 433.390 4.711 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2301422431 HNEYRWHCWSACJI-OAQYLSRUSA-N 449.360 4.549 30 10 IJEE COc1ccc(C=NN=C2SC(=Cc3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 2314818881 NSVAZYONSXKEMP-UHFFFAOYSA-N 447.516 4.803 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCCc3ccccc3)nnc2C2CC2)ccc1Cl 2320858500 HKOQJBJRTWILPJ-UHFFFAOYSA-N 427.917 4.934 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1N=Cc1cn(C)c2cccc(C(=O)OC)c12 2321766821 KXDMLDGBHPIWMZ-UHFFFAOYSA-N 447.564 4.683 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2Cc2ccccc2)cc1OCc1ccccc1 2321950416 VUUUJQATDFJLIH-UHFFFAOYSA-N 430.533 4.627 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2322724617 PAFQQTDXDQHADJ-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE C[C@H](NC(=O)COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 2323046720 RNULJOMMQRQEOI-SFHVURJKSA-N 430.460 4.747 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=CC=Cc2ccccc2)C3=O)s1 2325441784 XARAWONOJSQYGY-OAHLLOKOSA-N 447.516 4.679 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1 2325690461 HWDOYRDDMSADOZ-UHFFFAOYSA-N 439.370 4.754 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4F)cc(C)c3C2=O)cc1 2325739193 XPWBJEXCAVRCEN-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC(=O)c1ccc2c(c1)OCO2 2325741499 SMIHMPUYTFLYQS-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccccc1C(=O)O 2327114952 CEAIYSTYMPLALS-UHFFFAOYSA-N 438.553 4.681 30 10 IJEE Cc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2328992866 PEZXJOPODWGLKT-JOCHJYFZSA-N 447.608 4.794 30 10 IJEE CCC(=NOCC(=O)OC1CCC(C(C)(C)C)CC1)c1ccc2c(c1)N(CC)C(=O)CO2 2330273565 AROZFGRPOBVOLL-UHFFFAOYSA-N 444.572 4.711 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccc1C(=O)O 2330819409 HYBBJYRPMFICCW-UHFFFAOYSA-N 426.517 4.879 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330952044 SYFGDENKAMUUEQ-NRFANRHFSA-N 448.548 4.899 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(F)(F)F)cc1 2331112540 SAEMVFJUVYCFCN-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(OC)cc1 2331328870 WTMNLDXMBRPIGH-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OC)c2)c1 2331394021 UHWLYSLIZUDPRP-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2331562411 XSDYKOUOLXRSLY-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)C)cc(OC)c1OC 2331685179 QITKHCMJSMJYIY-UHFFFAOYSA-N 444.532 4.741 30 10 IJEE C=CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(I)c(Br)c1 2337095387 AAAYGSAPYXSPTL-YGRLFVJLSA-N 434.115 4.528 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(Cl)c(Br)c1)NCC)C(=O)OC(C)(C)C 2337912397 YUGPLASIKPEFRO-INIZCTEOSA-N 443.813 4.884 30 10 IJEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582485 QRZZEWGFDIHVTH-JKIKYLSZSA-N 444.381 4.822 30 10 IJEE C[C@H]1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339589294 VPISRLKPNLSBIC-PKOBYXMFSA-N 444.381 4.893 30 10 IJEE C[C@H]1CC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339599207 CMPLISOKRJSKMB-QZASHXROSA-N 444.381 4.893 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2363626745 BMQYYZAYKFKMCY-RTBURBONSA-N 449.414 4.586 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccnc2)c1 33371877 GEYWQXXXFPVOIP-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE C=C(C)COc1ccc(NCC(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1 66062256 MCXPRMCZHIFBDQ-UHFFFAOYSA-N 443.547 4.964 30 10 IJEE CCCCOc1ccc(NC(=O)NCC#CCOc2cccc(Br)c2)cc1 90731385 RYGFVRBORHWICU-UHFFFAOYSA-N 431.330 4.832 30 10 IJEE COCCc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 96527915 XJASOOHCERYGPT-UHFFFAOYSA-N 429.545 4.851 30 10 IJEE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101110085 USVRWUPLRSMXOJ-FMCGGJTJSA-N 440.352 4.624 30 10 IJEE CCc1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3C)C(=O)C(=O)N2Cc2cccnc2)cc1 108948131 UUXFFVGFXUDSBZ-QQYUXEJHSA-N 442.515 4.583 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 109883167 AFMZGHQKKIPKNV-UHFFFAOYSA-N 425.517 4.696 30 10 IJEE CC(C)Oc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170085867 OTENDGWUMYCVTQ-UHFFFAOYSA-N 437.499 4.766 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1OC 170125807 XWMYPZNOBVXUCY-WAIKUNEKSA-N 435.520 4.787 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(C)c1 170139575 HGOVOMWMHKESFB-QHCPKHFHSA-N 437.536 4.563 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccncc2)c1 170197697 GDQQWAUMLOWBKK-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1 170204279 FYKXWPKJQAWTDS-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2ccco2)cc1 170266413 FJWQHYNKSXVBQG-DEOSSOPVSA-N 443.499 4.946 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccco1 170284053 RJPRKMUQINBJFT-HXUWFJFHSA-N 437.835 4.753 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccco2)c1 170285544 FUKGRPZMLFRZQB-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccc(C)o1 170305102 PMUFOLCNZIKGNY-QFIPXVFZSA-N 442.471 4.868 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCCC)c1 170324180 XFFJZUGKTLYUGZ-XMMPIXPASA-N 447.531 4.955 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 170326159 SSADEFLGFHMLSN-LJQANCHMSA-N 448.302 4.753 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C\c2ccc(O)cc2)C1=O 206879071 HUBYTALKYRSTFM-YBEGLDIGSA-N 435.423 4.955 30 10 IJEE CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 218685807 GBJDEOLKLVRBKO-LBPRGKRZSA-N 440.550 4.676 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1ccc(C)cc1[N+](=O)[O-] 254815752 DHKZKZIMQZCOFJ-UHFFFAOYSA-N 434.481 4.526 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 410374110 YDWWJPRAOVOWPW-UHFFFAOYSA-N 442.519 4.868 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 461138196 DMTMPCLDPDVTLL-IBGZPJMESA-N 433.581 4.783 30 10 IJEE N#Cc1cc(N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)nc2ccc([N+](=O)[O-])cc12 462805364 RVUZAHCLRMWBIY-JOCHJYFZSA-N 447.882 4.620 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 471215008 GSNZNWOEDAQJEV-ZWNOBZJWSA-N 427.477 4.507 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nccn1Cc1ccccc1 489623291 GRNYAYIFWPDSLM-UHFFFAOYSA-N 431.565 4.889 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 508874013 PMGGCTGQBSTHKV-GBXCKJPGSA-N 448.567 4.807 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1Cl 551695873 MKLOUEOTPIBPAC-UHFFFAOYSA-N 435.842 4.681 30 10 IJEE C[C@H](NCC#CCN[C@H](C)c1nc(C2CCCCC2)no1)c1nc(C2CCCCC2)no1 551703437 AABOLFADZQVHCA-HDICACEKSA-N 440.592 4.553 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 555264722 VWNZWESBLDDMKZ-OZXSUGGESA-N 428.536 4.556 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 583706247 UWXUXSRARNYURW-HOTGVXAUSA-N 449.368 4.676 30 10 IJEE Cc1cccc(C(=O)NC2CCC(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 586505849 AQSZUUFWOITYLP-UHFFFAOYSA-N 429.582 4.739 30 10 IJEE CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3C#N)cc2)cc1 586722063 PRBVOEGVQNQBBM-UHFFFAOYSA-N 428.448 4.631 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 590930029 OHTGAFJQISPBOS-FQEVSTJZSA-N 426.564 4.653 30 10 IJEE CCCCCCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 606678130 DNYJWQYZTNTKQH-DEOSSOPVSA-N 433.552 4.668 30 10 IJEE COc1cc([C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)ccc1OC1CCCC1 609097668 CGFSFJZROQMHSI-WZONZLPQSA-N 433.552 4.734 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 682777100 CVRSXINMSOAVMF-NRFANRHFSA-N 441.597 4.977 30 10 IJEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698895950 AHIQLHFSBBJWPP-QHCPKHFHSA-N 441.553 4.790 30 10 IJEE C=CCC1([C@H](Cc2ccc(F)cc2Br)NC)CN(C(=O)OC(C)(C)C)C1 722933642 KIGHITGVIAXFNH-KRWDZBQOSA-N 427.358 4.532 30 10 IJEE C=CCC1([C@H](Cc2sccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722938172 RPOKYCBPAYAXAK-INIZCTEOSA-N 429.424 4.844 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 731076619 BKOSPADPYDPBKT-ZTFGCOKTSA-N 428.941 4.877 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@@H](c3ccccc3)C2)c1=S 764874782 AYQUIOUWWXDRSI-JOCHJYFZSA-N 436.581 4.519 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Sc3nncs3)cc2)CCCN1C(=O)OC(C)(C)C 790376934 UZTWXYSWECNYRM-OAQYLSRUSA-N 446.598 4.974 30 10 IJEE COC(=O)C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Cl)cc1 1126908602 DSDTVERWLFNFRT-QHCPKHFHSA-N 448.906 4.825 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)n2)c1 1127335031 IBAZNLYTNXYLMR-UHFFFAOYSA-N 447.447 4.605 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C=C)c1 1128599211 WKWDPENAQNFYKZ-FQEVSTJZSA-N 444.984 4.902 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2ccccc2I)C(F)(F)F)cc1 1128968817 QWRKRZDQDQQEIR-KRWDZBQOSA-N 444.190 4.662 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 1131483880 XKUCLXRRBFCGGA-UHFFFAOYSA-N 438.315 4.703 30 10 IJEE C=CC[C@@H](NC(=O)c1cn(-c2ccccc2C)nc1-c1ccc(CC)cc1)C(=O)OCC 1138146326 KDSJWBHLIOBHEC-JOCHJYFZSA-N 431.536 4.648 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 1148991240 IVEZHWGIOJDZCE-UFYCRDLUSA-N 438.996 4.764 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(Br)cn2)nnc1-c1ccc(Cl)cc1 1164530616 NUUPJNSGRKSVHU-UHFFFAOYSA-N 449.761 4.917 30 10 IJEE COc1cc(C#N)ccc1CN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 1194632611 ASGBFMSYJMXHFV-SANMLTNESA-N 426.564 4.629 30 10 IJEE C[C@H]1[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1Cc1ccccc1 1198015863 AUIWIKVQTQWDLE-FDDCHVKYSA-N 427.508 4.530 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CO)Cc3ccc(F)cc3)cc2Cl)cc1 1214832464 DJIDWQTZISNKQG-IBGZPJMESA-N 439.874 4.868 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 1216838128 HSWOLXISMCYWRV-UHFFFAOYSA-N 448.376 4.625 30 10 IJEE C#CC[C@@H](NC(=O)N[C@@H](C)CCc1ccc(I)cc1)c1ccccc1 1224390963 YTDWVPATYUUSCM-OXJNMPFZSA-N 446.332 4.676 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1230488762 CHPVDUMZBZMUAQ-VQTJNVASSA-N 439.943 4.680 30 10 IJEE C=CCn1cc(CNC(=O)N(C)[C@H](C)c2ccccc2Oc2cccc(Cl)c2)nn1 1252077533 XYXLWGYGSAULNB-MRXNPFEDSA-N 425.920 4.812 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(F)cc1)C1CCOCC1)c1ccc(Br)cc1 1252459795 XNSFTLRXJHCECF-NRFANRHFSA-N 445.332 4.653 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccccc1Oc1ccc(F)c(Cl)c1)C1CCOCC1 1253348903 VFWUQZKVGPLPHT-OAQYLSRUSA-N 430.907 4.841 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccccc1 1254094493 QRZLURQFYDIPEH-PMACEKPBSA-N 429.923 4.981 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCN(Cc1ccccc1)c1ccccn1 1255022479 ATLDWNJFDHGYJH-UHFFFAOYSA-N 427.552 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)Cc1cccs1 1286303334 BWCYVTFUPYYUTA-ZWKOTPCHSA-N 440.638 4.977 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1286338312 BAVNLKKHOLMWJT-REWPJTCUSA-N 431.584 4.749 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1csc(CCc2ccccc2)n1 1286419861 GZDXGLFOBUWXQV-HXUWFJFHSA-N 431.609 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](CCC)C1 1286560883 JZBOEFPGOQXUKI-OPYAIIAOSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1286612687 IXYXVASRQZNRGU-SFHVURJKSA-N 438.494 4.537 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCN2CCCC)CC1 1286662497 MXTJQEPNMFVTIQ-QFIPXVFZSA-N 427.662 4.987 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286688726 YUYHAESWZJCBBH-FPOVZHCZSA-N 429.634 4.821 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@@H]1C 1286743287 DGGZMIANXHWETJ-MAUKXSAKSA-N 426.362 4.820 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1OCCC1(C)C 1286763282 HLXBVAKSAZRUTI-IBGZPJMESA-N 441.963 4.637 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1cccc2c1OCCCO2 1286765284 BCECAWJJJHIZHT-UHFFFAOYSA-N 436.556 4.514 30 10 IJEE C=CCn1c(N(C)Cc2ccc(F)c(Cl)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777910 NLPWNSUAPWGYQM-IYBDPMFKSA-N 449.958 4.664 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2ccc(Cl)s2)C1 1286804373 MWNIRDWREMCAHU-GOSISDBHSA-N 444.988 4.693 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)C(C)C 1286827723 YBRUVFMTSBPFBJ-UHFFFAOYSA-N 439.423 4.870 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(Cl)s1 1287085229 FBFBMSJITVITRV-SJLPKXTDSA-N 434.009 4.700 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@]3(c4ccccc4)CCN(C(=O)OC(C)(C)C)C3)cc21 1289390706 OQIZBDWLXKIUMK-AREMUKBSSA-N 446.551 4.740 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(NC(=O)CC(C)C)c1 1291531337 ARWXUHRESFIMHC-KBMIEXCESA-N 436.604 4.955 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1300340384 YPKISIAYHMKINF-HXUWFJFHSA-N 441.595 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)CCOC 1300564569 YCRQNIRBMXRPFV-LJQANCHMSA-N 438.641 4.657 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1c(C)noc1C 1300879730 FHBRANXXQDWJSQ-DYESRHJHSA-N 441.963 4.821 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1300972507 LWFXNJPCPLNIPN-GOSISDBHSA-N 439.604 4.612 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCSC)CC1 1301075263 AMNWQYBGGOCDJS-UHFFFAOYSA-N 425.371 4.756 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccnc2OCCCC)CC1 1301113734 DNQOHWNTJLZMFX-UHFFFAOYSA-N 447.583 4.978 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301120494 TTYSVDRDUFPROD-HXUWFJFHSA-N 429.609 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301141846 RBMKLHSZVAQEJI-UHFFFAOYSA-N 435.616 4.776 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCC(C)(C)C1)C1CC1 1301313715 FUTVSZNRBONJRF-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)Cl 1301346322 AJZJNZMVUSGULL-UHFFFAOYSA-N 432.753 4.981 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1301351344 QBZIQXRUKRVLDI-KRWDZBQOSA-N 443.567 4.743 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCOC2(CCCC2)C1)C(C)C 1301366251 AIBSDLQVAIOZCI-XMMPIXPASA-N 449.643 4.793 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCOC(C)(C)C1 1301375935 UIORZGPQHUFVDT-UHFFFAOYSA-N 437.632 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1coc(-c2ccc(C)cc2)n1 1301394150 KEYUWNDNRRCIIA-UHFFFAOYSA-N 446.580 4.824 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1 1301402138 JYPLVUMFMSYQKL-HXUWFJFHSA-N 427.637 4.914 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@H](OC)C(C)(C)C)C1 1301543977 ROINWAQPBLLPBA-WMZHIEFXSA-N 449.599 4.644 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1)C(C)(C)C 1302580898 BIVFBAXVVIIKSC-NHCUHLMSSA-N 449.628 4.669 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCC3(C#N)CCCCC3)o2)c1 1307258828 GRZQXJNURMTRMR-UHFFFAOYSA-N 448.614 4.723 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1OC 1308389909 AUESPELVJNPCHN-DEOSSOPVSA-N 444.959 4.804 30 10 IJEE COc1ccc(C(C)(C)CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc1OC 1310763779 GFHDANQJECXXNK-UHFFFAOYSA-N 425.529 4.852 30 10 IJEE N#CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 1319263972 AHZMVKHHGOEKNH-UHFFFAOYSA-N 437.525 4.676 30 10 IJEE CC(=O)[C@H]1CC(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)=NN1c1ccccc1 1349542362 GOWSRYJBOAFHCS-IIBYNOLFSA-N 448.592 4.933 30 10 IJEE Cc1cc(NC(=O)COc2ccc(C#N)c(Br)c2)ccc1OCC(F)(F)F 1354166280 FEINYBBPNWCMMR-UHFFFAOYSA-N 443.219 4.588 30 10 IJEE Cc1nn(CC(=O)Nc2ccccc2O[C@@H](C)C#N)c2nc(C(C)C)cc(C(F)(F)F)c12 1357405200 HDLNBGCBBCVAQG-ZDUSSCGKSA-N 445.445 4.812 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1cccs1)N1CCCC1 1358883254 RBBXDMRTJVQEFZ-FXAWDEMLSA-N 440.016 4.955 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCCC[C@H]1C 1358886625 HPMVXSOLDKEIPX-NHCUHLMSSA-N 446.599 4.713 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(Br)cc2)CC1 1359164079 DMQMTVBEQKRQPQ-LJQANCHMSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2[C@@H]2C[C@H]2CCC)CC1 1359165626 SSSKBHWVAKACML-WOJBJXKFSA-N 429.609 4.910 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359220090 NQAUHQJHNMYGNE-VWLOTQADSA-N 442.604 4.863 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOC(C)(C)C 1359278636 AYWOWEDFVDTYSW-UHFFFAOYSA-N 432.634 4.729 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3c(Cl)ccc(F)c32)nnc1-c1ccco1 1359922475 XFRWZDBCQWDXOJ-UHFFFAOYSA-N 446.935 4.978 30 10 IJEE Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@@H](C)CC#N)no1 1361070144 DHCMXRPHXIYXRI-DOTOQJQBSA-N 442.951 4.771 30 10 IJEE N#Cc1ccc(NC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)cc1C(F)(F)F 1435301213 BVQRVWWIZHXBLY-UHFFFAOYSA-N 432.352 4.782 30 10 IJEE CC(C)(CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N1CCc2ccccc2C1 1442330334 AXBRBROBYYOMCI-UHFFFAOYSA-N 439.559 4.704 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1C(=O)OC(C)(C)C 1454286487 STPSLAWLXPPCOK-IBGZPJMESA-N 432.561 4.508 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CCCCC1 1456664834 MWGGGXRAUBEQKH-UHFFFAOYSA-N 426.557 4.567 30 10 IJEE C=CCCn1cc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)nn1 1461858728 SKNXCTPLQSSSKU-XMMPIXPASA-N 436.604 4.543 30 10 IJEE C[C@@H](c1ccccc1)N(CC1CCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1463129054 BMYVNNRWRHGRGR-HNNXBMFYSA-N 433.371 4.873 30 10 IJEE C#CCN(C(=O)NCCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCCc2ccccc21 1470293011 QTFBJHXHDLQKEF-HXUWFJFHSA-N 426.944 4.622 30 10 IJEE Cn1c(O)nc2ncc(-c3cccc(C(=O)N(O)Cc4cc(Cl)cc(Cl)c4)c3)cc21 1472618027 UQAIIVGPTCNIQW-UHFFFAOYSA-N 443.290 4.679 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)cc1 1475950227 FGWLETIWZFVMPF-ZEQRLZLVSA-N 430.552 4.645 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nc2cc(Cl)ccc2n1C 1476729686 XWIIIPRVSJPZNW-UHFFFAOYSA-N 449.736 4.876 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCNc1ccc2ccccc2n1 1476729793 QNHFYTFLKACCGP-UHFFFAOYSA-N 441.329 4.796 30 10 IJEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)C1 1499507277 DEJHMSSOPGQJEK-GOSISDBHSA-N 448.596 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C(CC)CC)no1 1507545051 BFBCPXNRDDCESP-LDQXTDLNSA-N 427.593 4.595 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cccs1 1507755744 CQFIDYJWUIGAMM-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1507786536 AYVDIMIQECSVHX-VLIAUNLRSA-N 437.332 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C)s1 1507795944 NCZFDKNFSTXONJ-YLJYHZDGSA-N 444.004 4.981 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)C)CC1 1507919140 LQQXLEWXHMZXAA-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)Cc1cnn(C)c1 1507943625 DTRRAAWALSVUPT-UHFFFAOYSA-N 447.356 4.573 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1507955507 ICPHLQWYATWVLJ-UHFFFAOYSA-N 435.616 4.684 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1507958941 DMVPJFVLNOTVOP-UGKGYDQZSA-N 438.597 4.874 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(CC)CCOCC1 1507986355 YNINFUGPJRXSRO-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCOc1ncccc1F 1508006342 CAHLHRHSLDVRMI-UHFFFAOYSA-N 427.549 4.803 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC[C@H](OC)C(F)(F)F 1508006625 IQDJGZILXXALER-KRWDZBQOSA-N 437.491 4.562 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1CCC 1508007292 ZDTAGGCKADCFFK-FQEVSTJZSA-N 436.629 4.777 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1508050185 RKKDDOHUAMAVEZ-IBGZPJMESA-N 429.996 4.697 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)cc1OC 1519634040 DOCKFBGOJANALC-IZIDJEDMSA-N 444.325 4.850 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)NCC3(c4cccc(Br)c4)CCCC3)n2)c1 1519830743 BCLVBFWTQVTACX-UHFFFAOYSA-N 449.352 4.748 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(F)(F)c1ccccc1Br 1521116353 XMCIPMKFDXPLRD-UHFFFAOYSA-N 426.305 4.923 30 10 IJEE C=CC[C@@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(Cl)c1 1524010676 MKSGSPWZRBOGAS-MRXNPFEDSA-N 437.235 4.670 30 10 IJEE C#C[C@H](CC)NC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1528089289 YKUSYFNYDGCZSE-HSZRJFAPSA-N 448.588 4.570 30 10 IJEE C=CCc1ccc(OCC(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c(OC)c1 1534447152 QFJXZGZIINYEHQ-LJQANCHMSA-N 425.359 4.558 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCC[C@H]1C 1539196309 JEPHFRWITPORAS-GOSISDBHSA-N 432.037 4.558 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCCC[C@H]1C 1539676396 OQDQOUWOTALAJQ-JOCHJYFZSA-N 434.632 4.948 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1539688894 UTGUGZOMZBUGAK-ZWKOTPCHSA-N 426.561 4.564 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1539779798 GQKPGFMQKSBEJM-HNNXBMFYSA-N 433.343 4.502 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1539894606 NPZFPQMYIZFSNL-DHIUTWEWSA-N 435.660 4.976 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1540005703 MFKJKLAWWHTQMG-SFHVURJKSA-N 426.458 4.522 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1540037354 ITRLGJPTKUFXJW-UHFFFAOYSA-N 448.615 4.516 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(SC)sc2c1 1540373279 COWBDRNOJFEEFT-CYBMUJFWSA-N 427.979 4.993 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1540855482 VVZNOCXUQQAUMT-LJQANCHMSA-N 441.645 4.594 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)CC(C)(C)C2)cc1 1540878690 FESJDOKTOGMHKT-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC)[C@H]1C[C@H](OCC)C12CCCCC2 1545049489 RCTAOLPSHPYJAW-ACRUOGEOSA-N 434.621 4.660 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 1557619729 HGUCOBUOMGLMHZ-HDICACEKSA-N 441.325 4.730 30 10 IJEE CN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 1564945918 IAZUVCBLHBPJGO-NJYVYQBISA-N 430.335 4.542 30 10 IJEE C=C(CC)CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 1570327237 HEOYGUPRDNNBHK-UHFFFAOYSA-N 446.878 4.856 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1584239712 VEYUPKFFFKDYKJ-BWKNWUBXSA-N 426.557 4.751 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)ncc1Br)c1ccc(Cl)cc1F 1584733299 NKUBFUOPXGWHQV-CYBMUJFWSA-N 446.501 4.503 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)OCc2nc(-c3ccc(F)cc3)no2)cc1 1585429474 AUUDROONVGSMEU-UHFFFAOYSA-N 429.407 4.683 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)cc(OC)c1OC 1587841219 ZOHVLGFUTWMWEZ-KRWDZBQOSA-N 434.305 4.751 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@@H](C)N1CCCCC1 1588550088 HURVQLFIEMZION-OAQYLSRUSA-N 439.623 4.910 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCc2c([nH]c3ccc(OC)cc23)C1 1589031786 HABDPOLBEWRDOJ-UHFFFAOYSA-N 430.426 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC1CCOCC1 1589506314 UVVMODHBROVKBH-IRLDBZIGSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(CC(C)C)C(C)C 1589569617 PQALFIHEXFJSFF-AUSIDOKSSA-N 430.568 4.848 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1589742304 JBSORBDHUZSLNA-PKOBYXMFSA-N 431.378 4.597 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC[C@@H](COC)C1 1593671902 TTXVNNTZYXINCK-MRXNPFEDSA-N 439.387 4.993 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1593677745 KUCIGEYIDAZTGC-IBGZPJMESA-N 432.037 4.865 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1593859006 OLXFXQBMHHMVJQ-INIZCTEOSA-N 429.977 4.855 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@@](C)(CC)O1)C1CC1 1595026158 DSXATYJLUZGRIY-OXJNMPFZSA-N 434.382 4.538 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)c(OC)c1)C1CC1 1595026963 UNKCHLFHMTUHTQ-UHFFFAOYSA-N 442.361 4.556 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 1595100061 MMPKVIJVKBULSU-AHWVRZQESA-N 433.600 4.746 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(C)nc3ccccc23)n1CCC(C)(C)O 1595243836 HAEVMNCAFBAZLW-UHFFFAOYSA-N 445.567 4.791 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C)s1 1595648945 JZFIDGLZAYJBKZ-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C/C=C\CC)C1 1595699993 JSMPOOYNLCODGU-KJPDOMRESA-N 435.341 4.594 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCC(C)CC2)C1 1595705893 GFQDSXUYVCQSLT-VQTJNVASSA-N 444.023 4.500 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCC[C@H](C)C1 1595793533 MTLLYJZYFLBMKT-NZQKXSOJSA-N 443.632 4.784 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)c2nccs2)c1 1612242422 CUJRMLVXFIRIAE-JPYJTQIMSA-N 436.585 4.556 30 10 IJEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1618313154 HMPXXCIYHYSHTR-KMDXXIMOSA-N 433.552 4.626 30 10 IJEE COCCC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1619790083 BKSAZSSDPSUYMN-QHCPKHFHSA-N 442.007 4.859 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC[C@H](OCC4CC4)C3)n2CCCC(F)(F)F)c1 1620348799 HHJXGBOLATVICL-IBGZPJMESA-N 433.478 4.555 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1cc(Cl)c(OC)cc1Br 1622255172 NASRQYIRRXWASM-UHFFFAOYSA-N 435.698 4.746 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)cc1 1623891180 LCCOQCBFANKIIY-VQTJNVASSA-N 444.576 4.796 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](C)[C@H]1C 1625234727 DBUSZFDWBLNHKU-YAEBDLLGSA-N 438.955 4.903 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1628543286 RCYGCDNNDKVWNA-KRWDZBQOSA-N 429.314 4.900 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)cc1 1629310013 DVZJARSUBYGFCW-UHFFFAOYSA-N 443.429 4.759 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21 1630314944 ZISUYEPYHFMMPS-UHFFFAOYSA-N 448.420 4.672 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C 1634895693 LVWYTFPWKZYDPW-UHFFFAOYSA-N 434.561 4.844 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1)C(=O)OCC 1635607492 SPQJYDAXEUQBCK-CYBMUJFWSA-N 432.851 4.633 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2ccc(OC)cc2)C1 1636095559 PAWOXFNEZQKDON-RBBKRZOGSA-N 430.589 4.726 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)CCCC1(C)C 1639766768 XUULMYGTBLCPRY-JOCHJYFZSA-N 446.547 4.704 30 10 IJEE C=CCn1c(S[C@H](CC(C)C)C(=O)OC)nc2cc(-c3ccccc3)sc2c1=O 1640772462 WYVWOQYUQFBIED-GOSISDBHSA-N 428.579 4.991 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)C)nc2scc(-c3cccs3)c2c1=O 1643395824 OTOLQFMNQZAHLG-UHFFFAOYSA-N 433.624 4.627 30 10 IJEE C=CCn1c(SCc2nc(CC3CC3)no2)nnc1-c1ccc(Br)cc1 1651650729 IVOCPAIKRMHPOF-UHFFFAOYSA-N 432.347 4.521 30 10 IJEE COC(=O)c1cccc(Br)c1CSc1nc(C(F)(F)F)ccc1C#N 1651933617 GZBCQZKKFXWGFZ-UHFFFAOYSA-N 431.233 4.813 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCSC[C@@H]3C3CC3)c2C#N)C1 1653665714 HPMKUSHZFBWZMU-VQIMIIECSA-N 431.671 4.927 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCN(C(C)(C)CC)CC3)c2C#N)C1 1654062176 GNOGCRAAFRWOJE-SFHVURJKSA-N 444.689 4.906 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1654447691 GDLGTDMUFNFYQJ-OAHLLOKOSA-N 436.961 4.624 30 10 IJEE C#CCN(C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CSC1 1655021593 VGIDTMKVHXHVCE-OAQYLSRUSA-N 436.404 4.511 30 10 IJEE C=CC(C)(C)CCNCc1cc(I)c(Br)cc1F 1656693948 NXBRWFRWONYNTK-UHFFFAOYSA-N 426.111 4.885 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1OC 1658217561 KMOIOCCPIMDAMX-MJGOQNOKSA-N 436.980 4.745 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1 1665243530 UWXVTJRTVATAAJ-XXBNENTESA-N 441.597 4.936 30 10 IJEE C[C@H](NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 1665462125 CYNQDNKCRFLZFT-LBPRGKRZSA-N 437.468 4.740 30 10 IJEE Cc1cccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)c1C#N 1666731932 GJUYZLUPKSYFBJ-DJPFJPOOSA-N 440.565 4.611 30 10 IJEE C=C1CCC(CNC(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 1667443207 UTHXZNCHLWOZGY-QZTJIDSGSA-N 443.588 4.975 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)cc1 1667955695 BFUYPVDGJPKVRQ-HXUWFJFHSA-N 427.570 4.675 30 10 IJEE COC(=O)CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1SC[C@H](C)C#N 1668454294 BPFISDNUQNNIQS-IEBWSBKVSA-N 425.554 4.624 30 10 IJEE C=CCCCCCCCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 1673406639 RPZDLJVQGYTQKA-RTWAWAEBSA-N 437.625 4.617 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCC[C@H]3[C@@H](C)NC(=O)OC(C)(C)C)cc2n1 1675012945 MAYIUOKHBVMOAB-UZLBHIALSA-N 427.549 4.522 30 10 IJEE COC(=O)Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1F 1678541464 IDQGJDLLPIJPFI-UHFFFAOYSA-N 449.457 4.786 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 1679054749 MLSSSLQXAQQUDB-UHFFFAOYSA-N 427.589 4.791 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(C(F)(F)F)cc1 1680855926 RGBMJEJMQXHXAC-QYZOEREBSA-N 436.478 4.666 30 10 IJEE COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1683258600 BMPUPKHJONQJGM-LJQANCHMSA-N 428.330 4.548 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 1683939261 NYIXITBQCBGOGY-HSZRJFAPSA-N 427.951 4.679 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1689938388 JZSFARZBTBQQKG-APWZRJJASA-N 449.382 4.583 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1689957268 YLHQZMVXMMKKSX-HXUWFJFHSA-N 437.588 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](c1cccnc1)C(C)C 1690268268 DHYDRMNMGAUXSM-HSZRJFAPSA-N 443.599 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCOC1 1690437685 LRBRSFHJJOVPFA-GOSISDBHSA-N 432.996 4.976 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)C1 1690451990 USZYCQHQTHXAAL-DEOSSOPVSA-N 425.577 4.509 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(COC)CCC1 1690576315 VRVXUGATDLLJSO-UHFFFAOYSA-N 433.581 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1690576324 WEHXNEDZVTZWMW-FDDCHVKYSA-N 425.602 4.885 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1690736878 RATAWEAFFHJEKB-HXUWFJFHSA-N 446.523 4.622 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1690749356 AJOXOUVYDVCYNQ-HSZRJFAPSA-N 440.638 4.602 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCCC2=O)C1 1693629570 GHCHAHCFPXLNJJ-NFBKMPQASA-N 448.615 4.624 30 10 IJEE CCc1cnc(CCn2c([C@H](CC)c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)s1 1694551590 CPQNDKVVTKNWJD-AUSIDOKSSA-N 438.576 4.524 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccsc1)N(CC)CC)C1CC1 1695623248 FRKXHIRQROWTQY-JOCHJYFZSA-N 434.613 4.950 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(OC)c1 1705606945 LHFZBGSNKTWNPH-UHFFFAOYSA-N 434.609 4.986 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCc1nccs1 1705607631 KPTICMKKYKDJDN-UHFFFAOYSA-N 444.402 4.565 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1705608395 PVYWKPVLYCHTIN-FYYLOGMGSA-N 449.986 4.929 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705609497 GISAOCZBPQOFLM-IRXDYDNUSA-N 434.462 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(OC)CC1 1705702260 GGBPUHVQKVYLLT-NSXLHWASSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(c2cnn(C)c2)CC1 1705793354 VHCDHFSSVVMROT-UHFFFAOYSA-N 432.616 4.897 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1705795921 VCGKUQNDOBBXGR-WOJBJXKFSA-N 432.515 4.588 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1705812143 RQVBLFGLYFIWSZ-QUCCMNQESA-N 428.552 4.776 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC1(COC)CCCCC1 1722418168 IADJHDQHBSIRHI-UHFFFAOYSA-N 449.574 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccc(C)cc1OCC(F)(F)F 1722473168 QXLXHVQCQOJCIT-JOCHJYFZSA-N 434.506 4.767 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C)C1 1722479172 GDWCYYFJRZSCOW-GFCCVEGCSA-N 440.183 4.853 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1722490099 RIIXHFFZMXIDHA-QRWLVFNGSA-N 435.341 4.674 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCO[C@@H]1C 1722594952 HLJJQYVLZJOPFK-FQRUVTKNSA-N 440.632 4.965 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)OCCc2sccc21 1722598587 KZXWTBBRQSYRFE-NTKDMRAZSA-N 444.645 4.904 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722605761 QWDBUFJWMKKGPD-OAQYLSRUSA-N 428.543 4.897 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCC1 1722652986 QUGHOGOQJAZYFT-UHFFFAOYSA-N 447.583 4.545 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccc(C(C)(C)O)cc1 1722663068 QVELNSQGFURFJT-OAQYLSRUSA-N 438.597 4.659 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCc1cccc(F)c1 1722676650 HAXUBRQFBXZLDZ-UHFFFAOYSA-N 431.515 4.858 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H]1CCO[C@H](C)C1 1722678404 PTFYVFLEBYGSSJ-SJORKVTESA-N 436.959 4.582 30 10 IJEE CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nc(C)cs1 1728459388 BSJZLBCTAIEWHX-INIZCTEOSA-N 436.585 4.534 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CCOC 1740540678 LWKXLNWSCWOKFU-MRXNPFEDSA-N 433.394 4.537 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](OC(C)C)c1ccccc1OC 1740555443 IUCODRMQOSVTPC-XMSQKQJNSA-N 438.597 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1740560597 MAHSWAXFCQSDJB-NOXFTYBFSA-N 425.646 4.613 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(CC)C[C@@H]1CCCO1 1740567975 APELQPLABJAZAZ-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC1CCOCC1 1740572109 ZMNPMYDYLJZIEM-UHFFFAOYSA-N 433.556 4.657 30 10 IJEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1csc2ccccc12 1740602694 ZDTLCTUOPRGBHX-UHFFFAOYSA-N 440.370 4.563 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(Cl)s1 1740659588 XFLKMCNBUHVDLY-UHFFFAOYSA-N 438.984 4.700 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCCN1CCCC[C@@H]1C 1740676965 OFJDQPKIOGPCKM-NRFANRHFSA-N 437.607 4.979 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1=CCCCC1 1740687973 JRZXUUGJBVQCGM-UHFFFAOYSA-N 436.600 4.741 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCCOC 1740726204 VTHLINKTZAUUSA-AREMUKBSSA-N 431.584 4.771 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1C1CCC1 1740745727 CETRJRWCPJZIIA-GOSISDBHSA-N 437.332 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1740759672 KGYQXIGPAUNWNC-RFWXGWTQSA-N 426.580 4.862 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCOC[C@H]1C 1740788911 ZASIMFGPSZSHRK-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC1COC(C)(C)OC1 1740870619 RETGYXMBMZZMDY-UHFFFAOYSA-N 449.393 4.509 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@](C)(OC)C1 1740879212 DTOSIQFSHPHGPE-NRFANRHFSA-N 449.393 4.591 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1740901071 BRUPKSYZMYLUTC-RTBURBONSA-N 446.039 4.987 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1CC 1740919411 FKRCOTQMJFHGFO-OALUTQOASA-N 427.568 4.574 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1749022644 DPEXRXCAPZATAA-SFHVURJKSA-N 436.959 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)SC 1749079153 ZKNPFNKXIPLEAT-HOYKHHGWSA-N 426.630 4.898 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(Br)c1 1749153273 RROOBDQTUQQBOR-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCC[C@H](C)C2)CC1 1749305758 QECMXFMRPAQZSG-FQEVSTJZSA-N 443.586 4.816 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749335332 OZHUXALRGLFZBS-OYRHEFFESA-N 437.632 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC)[C@@H](C)C1 1749364348 QRUVKUXHRKUNFN-IBGZPJMESA-N 434.588 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1749372969 BXZZFDOZEQTZLC-UHFFFAOYSA-N 436.526 4.849 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC2CC2)CC1 1749391434 ONEJJLWQNDQZDL-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1749467580 UASRYBMGBZEREB-MJGOQNOKSA-N 433.394 4.781 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](CC)c1ccccc1 1749467615 VELCJRWDXARMTH-INIZCTEOSA-N 428.378 4.862 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H]1C 1749536128 ATTFTPASWMWKDC-TZIWHRDSSA-N 430.556 4.554 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCC1(F)F 1750792700 FNTSZXZJGUTJEY-HXUWFJFHSA-N 430.547 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCOCCC(C)C 1760103311 CMGOZGJAIWXWEF-KRWDZBQOSA-N 433.394 4.537 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1760231723 DVJRVTOFBBPVLQ-AZUAARDMSA-N 442.489 4.884 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCCC1(C)C 1760275731 GYAQBYLLOYDPHT-UHFFFAOYSA-N 425.421 4.514 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CCCCCC1 1760311771 AEACITFULMTVDO-UHFFFAOYSA-N 435.366 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1OC 1760331381 RZDASTMYFGISAS-MJGOQNOKSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(c2ccccn2)CCC1 1760331962 RAESWWPOJKTESW-UHFFFAOYSA-N 447.583 4.882 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760430126 ZUWSWDRMHNGILK-RXVVDRJESA-N 430.980 4.872 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1760475320 CBLKXMKSZUNINF-QFIXIFRTSA-N 427.593 4.760 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1ccnc(SC)c1 1760482809 RHRVLGFNBRCTKP-UHFFFAOYSA-N 442.592 4.622 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1occc1C 1760487900 GTPUXNLUUKSFGD-UHFFFAOYSA-N 445.548 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(CCC)C1 1760490614 CLQCFNVAXOKGKZ-GOSISDBHSA-N 444.421 4.618 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)c2c(C)noc2C)C1 1760536556 BXXGGEVTSUANHS-VGSWGCGISA-N 435.572 4.697 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)Cc1cccs1 1760690376 CFFQMGQIQDYHBO-MOPGFXCFSA-N 445.596 4.667 30 10 IJEE CCC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@](F)(C#N)C1)OC 1763886444 FWWYEJYIFUKERK-NTKDMRAZSA-N 443.567 4.546 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)c(C)n1 1764136223 AVLCJZHAHHCPPX-RBUKOAKNSA-N 431.588 4.652 30 10 IJEE CCCCN(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1765737500 BPWPUWQHUKVEIC-SFHVURJKSA-N 440.661 4.603 30 10 IJEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(C)CC2)cc1Br 1770007080 GUDZQKHPQWBBEA-UHFFFAOYSA-N 444.377 4.646 30 10 IJEE COc1ccc(C(=O)C[C@H]2SC(=Nc3ccc(O)cc3)N(c3ccc(O)cc3)C2=O)cc1 1772760147 UZLVCWDOJRQVCX-JOCHJYFZSA-N 448.500 4.516 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1c(C#N)cnn1-c1ccccc1 1859479608 XGIZQKDCIHLKIZ-LBPRGKRZSA-N 445.704 4.566 30 10 IJEE COc1ccc(CCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1 1859656962 LELQSPCWAJIIRF-UHFFFAOYSA-N 425.492 4.571 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc(OC)c1OC 1860635009 NSYWAGWHQLRZRK-CCEZHUSRSA-N 431.488 4.528 30 10 IJEE CC(C)N(C(=O)CSc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)c1ccccc1 1860825112 NKMHDSNFVFGKEW-UHFFFAOYSA-N 438.940 4.908 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 1861119934 AYVYLCFIKHNEPD-UFIOJNINSA-N 437.540 4.942 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C1CCN(Cc2ccccc2F)CC1 1861183081 XQNRKQCLOBGVIB-DEOSSOPVSA-N 445.623 4.505 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862412093 WNJZMHIQANVDKC-OAQYLSRUSA-N 427.447 4.972 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862437893 BFEYQKFFQZVREF-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)c(OC)c1 1862461113 XNGZJFCZTXKBCB-HXUWFJFHSA-N 449.425 4.587 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)c1 1862491419 SHCKMIAMUWDJQF-WIYYLYMNSA-N 425.912 4.714 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2C)cc1OC 1862576656 YXSZUYRFCVKNJP-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1862652630 KIIBPHPEZKKLMS-ASSNKEHSSA-N 439.870 4.591 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)cc1 1862673030 ASPBARXZMKDRKH-JOCHJYFZSA-N 425.500 4.919 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c(OC)c1 1862718250 WUMDSCSVDNANRR-NPMXOYFQSA-N 431.488 4.931 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(O)c1 1862722092 NIUJZKUHEDQGLL-DEOSSOPVSA-N 443.499 4.674 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(F)c2)c1 1862735628 PCLQDVHAEYMXNI-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1 1863073104 XAQPIWDBYGEZFA-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(C2CCCCCCC2)C1=O 1863245725 HUYKNFUBPCEUPM-UHFFFAOYSA-N 444.491 4.771 30 10 IJEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1863624631 MTJCAUNJDYWIBR-UHFFFAOYSA-N 435.738 4.745 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCC)=C(c2ccc(OC)cc2OC)C1=O 1863753577 IBMOSTXVNSHNBL-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1ccc(C(C)C)cc1 1865153128 RECLPFYZAJAVNK-JOCHJYFZSA-N 448.611 4.874 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CSc1ccccc1 1870178313 DPJMBUGFCIUPMW-UHFFFAOYSA-N 440.952 4.998 30 10 IJEE CCCCOc1cn(Cc2cccnc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870180876 BTXMEIGTTKOABK-UHFFFAOYSA-N 448.592 4.955 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1)O3)CN(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CO2 1871353781 WJZPIABXQCVQDA-JGRIOSHKSA-N 443.543 4.847 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871861849 ROQPJGIVEVPSLL-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 1871877323 ZTJHQZMOQCGZQV-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872267577 IUKVXIBJFWAERL-GCJKJVERSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccccc1 1872296535 NXVYTUZIVYAPLK-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCC 1872359834 GNKQOQWFMUPZIR-SFHVURJKSA-N 434.524 4.821 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1)S(=O)(=O)C1CC1 1872459009 FBKIMQUJYCMWHZ-OAQYLSRUSA-N 432.973 4.699 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccccc1 1872570879 YXRDQPPEWMRRLL-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2[nH]1 1872805474 SFKSKOUAIUDRGR-UHFFFAOYSA-N 431.467 4.776 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCCCCN(CC)CC)ncnc21 1873630163 MXDSALKJPPFRIG-UHFFFAOYSA-N 448.615 4.966 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(N(C)C)c1)n2CC(C)C 1873657059 VPXCFSZOFXBCDU-UHFFFAOYSA-N 432.572 4.584 30 10 IJEE COc1cc2c(c3oc(=O)c(CCC(=O)Nc4cccc(C#N)c4)c(C)c13)CCC(C)(C)O2 1873866429 HDWYTPDSNOCXJD-UHFFFAOYSA-N 446.503 4.657 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1 1874272079 XUFLUFQDSFAAMZ-YZSQISJMSA-N 444.560 4.950 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(F)c2)nnc1C(F)(F)F 1874460954 ONYNAFMYPOXWII-LSFURLLWSA-N 425.367 4.519 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc(F)c2)cc1OCC 1874499032 IZJKNJJBJPVKIM-ZMOGYAJESA-N 444.532 4.536 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(C(=O)OC)o2)cc1 1874532214 BVPVKVBNNIUKJU-OEAKJJBVSA-N 442.541 4.710 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2-c2cccs2)c1OCc1ccccc1F 1874558883 FRYFKTARWGZCGX-FSJBWODESA-N 440.525 4.904 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2Cc2ccc(C)cc2)c1OCc1ccccc1 1874561578 XURHZYNJTHCGEK-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1OC 1875129126 MFVJNHDVJMDPSK-FYWRMAATSA-N 432.472 4.974 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 1915608410 ZUQOZMRNZGJISG-JOCHJYFZSA-N 439.380 4.695 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922135251 YULGMXGPYQUREQ-RPWUZVMVSA-N 441.568 4.621 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C#N 1985178816 CUTKWVCOVLIZQO-CEYNDMKZSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NCCCB2OC(C)(C)C(C)(C)O2)c1 1999367095 XMVYMPITTSCMGK-PMERELPUSA-N 438.399 4.973 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2001937505 HIKVFDJJGUZAER-HRAATJIYSA-N 436.557 4.996 30 10 IJEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2020325138 SNDPHQFIPNNSHV-WZONZLPQSA-N 431.533 4.728 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(F)(F)F)c(C#N)c2I)c(F)c1F 2079952613 KOSYMKTZXFHOTD-ZETCQYMHSA-N 441.141 4.574 30 10 IJEE CC(C)(C)c1nn2c(Cl)c(C#N)cnc2c1-c1cccc(I)c1 2081221402 JPTLCCLVSPHQHL-UHFFFAOYSA-N 436.684 4.823 30 10 IJEE CN(CCN(CCCC(=O)Nc1ccccc1C#N)Cc1ccccc1)Cc1ccccc1 2095947307 MRTFXPREJJLEOJ-UHFFFAOYSA-N 440.591 4.911 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 2102887308 RTFSXXSVACPIBO-IRXDYDNUSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1cc(Br)cnc1C#N)C2 2174710348 QCIZDQWEEYYLNI-UHFFFAOYSA-N 429.318 4.625 30 10 IJEE CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)c(Br)c1F 2174813540 XNXKVNCLAKYPCP-CQSZACIVSA-N 440.357 4.933 30 10 IJEE C=CC1(CNC(=O)c2cc(Br)ccc2I)CCCCC1 2189596880 IEBNQGOCCMZFNK-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F 2238185814 UGFDUHIDKKPLGE-MGPUTAFESA-N 445.348 4.575 30 10 IJEE C=CCN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2F)SC1=S 2293420563 NRVIEPULZFXJQS-UHFFFAOYSA-N 430.482 4.700 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2296218649 GJLGRGGVUKUPEL-OXJNMPFZSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@H](O)C#Cc1cccc(Br)c1 2296224121 HEQUJJHUOWUKHH-VQTJNVASSA-N 428.326 4.528 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@@H](O)C#Cc1cccc(Br)c1)C2 2296233325 WPEUXHBUIYGSEU-WHYIANOMSA-N 434.374 4.635 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2296867851 AVLYEWWTDWGEMN-UHFFFAOYSA-N 434.831 4.962 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)SC1=S 2297178712 JFOUQCMRMRMUPA-UHFFFAOYSA-N 445.949 4.955 30 10 IJEE C=CCC(CC=C)OC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2298830385 OLFUMJJUKNEXGB-VWLOTQADSA-N 429.557 4.894 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 2314479110 ZXOAMJCJZFAKNM-DEOSSOPVSA-N 429.472 4.856 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3cccc(OC)c3)c(OC)c1)C2=O 2314527206 JWRADOIKLVITSL-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2cccc3ccccc23)o1 2320849913 KLKFFWJCGJDAJR-UHFFFAOYSA-N 432.505 4.863 30 10 IJEE Cc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc([N+](=O)[O-])cc2)C4=O)cc1 2321958661 ZKIWDAXDNMHPSW-UHFFFAOYSA-N 428.444 4.872 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(Cc2ccccc2F)CO1 2322054633 CFVMBGBIQNNZKA-UHFFFAOYSA-N 432.407 4.702 30 10 IJEE 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CCCOc1ccc(C=NNc2oc(-c3cccs3)nc2C(=O)OC)cc1OCC 2331931914 HQFNBOOPFLZALY-UHFFFAOYSA-N 429.498 4.823 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339588164 DTRZANFOFZRUNQ-PKOBYXMFSA-N 444.381 4.751 30 10 IJEE CCCN[C@H](C#CC1CC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362736105 FTLJNIYDBAIPLZ-UXHICEINSA-N 435.406 4.667 30 10 IJEE Cc1cc(CN[C@H](C)c2cscc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369693975 JLQPBJZPKNZLEA-CQSZACIVSA-N 436.224 4.969 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCN[C@H]1C(F)(F)F 2370237472 MCDSHZSXDUGLJT-RHSMWYFYSA-N 448.283 4.767 30 10 IJEE CCOC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C#N)c1C 13950455 CXKJQQRYYOUKGT-SNVBAGLBSA-N 427.309 4.818 30 10 IJEE O=C1CCCC2=C1[C@H](c1ccccc1O)n1nc(SCc3ccccc3Cl)nc1N2 17102851 KXQYUFALYGZDLW-FQEVSTJZSA-N 438.940 4.951 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)cc1 20906772 BQBJPZKEKIMJOG-QKIXXSFTSA-N 438.557 4.591 30 10 IJEE CCOc1ccc(NC(=O)CCSc2n[nH]c(N/N=C(/CC)c3ccccc3)n2)cc1 21081695 AFDNZDDTNKNTPZ-PLRJNAJWSA-N 438.557 4.551 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 35444460 LUKFFKHDQDPJAI-GPFJBENQSA-N 441.531 4.514 30 10 IJEE C=CCc1ccc(OCCCn2c([C@@H](C)NC(=O)C(=C)C)nc3ccccc32)c(OC)c1 40191142 WCFFDKBFQRTSPI-LJQANCHMSA-N 433.552 4.996 30 10 IJEE CSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(C)\C=C\c2ccccc2)n1 59023479 BYDZRBNNLGFNMN-MWIIGANGSA-N 438.582 4.759 30 10 IJEE C[C@@H](Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)C(=O)N(C)C 59816704 DAABTVSVYIAVPR-AZRQGOPLSA-N 442.548 4.717 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccccn1 169994193 JUDYMYOOHBXWCW-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(Cl)c1 170041869 JXNGUBVNZLLAHV-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCC[C@H](CO)C2)C1=O 170076990 UPAZXLSHKQUVPU-QFIPXVFZSA-N 440.628 4.920 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(O)c2)cc1 170080281 HHXQWHITYRVSQB-QHCPKHFHSA-N 441.439 4.930 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@@H]1c1ccco1)c1ccc(Cl)cc1 170099243 PBXXJCDZXXZEHS-GOSISDBHSA-N 437.814 4.731 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(O)cc1 170133607 KPXDNOHJZINOFO-VOIUYBSRSA-N 441.483 4.807 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(C)cc2C)C(=O)N(c2ccc(C#N)cc2)C1=O 170146081 YEFSMXMNHOUGHX-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccs2)cc1 170154342 RXWQGMVCYUCMEW-IBGZPJMESA-N 425.531 4.987 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(C)cc2C)C(=O)N(c2ccc(C#N)cc2)C1=O 170176236 SIZODSVOPJMPHF-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1c1ccccn1 170180928 XDYBVLWUSQQGRV-SFHVURJKSA-N 441.281 4.579 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(F)cc1 170240301 VWDWOBJJIVQIBL-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE 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C=C(C)Cn1c(N2CCO[C@H](c3ccccc3)C2)nnc1C(F)(F)Oc1ccccc1 549247919 FIBBKZXYLSEOQQ-FQEVSTJZSA-N 426.467 4.560 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[C@](O)(C(F)(F)F)C1 549686097 WNWDFKPBEMXFBZ-KSFYIVLOSA-N 446.473 4.651 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC[C@@H](CCOC)C1 584808082 WTWJJRCQIINUKO-INIZCTEOSA-N 449.393 4.545 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(OC(F)(F)F)cc2)cc1 586256280 SRWQSIVWWVFATB-UHFFFAOYSA-N 442.459 4.871 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)NC2CCC(OC(=O)c3cccc(C#N)c3)CC2)c1 586501775 UHBBYKVONRUJBK-NTEUORMPSA-N 432.520 4.643 30 10 IJEE COC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 708735368 BARRXXYRRVUZOF-NRFANRHFSA-N 439.940 4.515 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 716621586 RNTXWILVDRWERW-MVERNJQCSA-N 440.632 4.512 30 10 IJEE N#Cc1nc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)nc1O 725332524 VJAJHSNGELMDMJ-UHFFFAOYSA-N 431.087 4.913 30 10 IJEE CCCOc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)C(=O)Nc1c(CC)cccc1CC 728767004 RRZDRINMYVEKLB-OAQYLSRUSA-N 444.535 4.747 30 10 IJEE COc1ccc(Cc2nnc(SCc3cc(Cl)ccc3OCC#N)o2)cc1OC 735234170 KGTUJQUXIVCBMC-UHFFFAOYSA-N 431.901 4.526 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741365183 AQVGBSGLIFEGNE-HZPDHXFCSA-N 425.790 4.988 30 10 IJEE N#Cc1cnc2ccccc2c1OCCOC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 741435952 LUTGIDSHNYGUKO-MSOLQXFVSA-N 442.393 4.731 30 10 IJEE CCCCCCCOc1cccc(/C=C\c2nc(O)c3cnn(-c4ncccn4)c3n2)c1 746521193 XDWHRTVXSLFAEJ-QXMHVHEDSA-N 430.512 4.831 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 749361714 RODJJLPJTNUXKG-UHFFFAOYSA-N 433.471 4.947 30 10 IJEE CCCc1cc[n+](/C(C(=S)Nc2ccc(OC)nc2)=C(/O)c2ccc(C#N)cc2)cc1 762439894 HWHGWZXMJCEWNP-UHFFFAOYSA-O 431.541 4.525 30 10 IJEE N#Cc1ccc(C(=O)OCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1Cl 778542801 LPDQHIIRZHKUAO-QFIPXVFZSA-N 430.891 4.543 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cccc2ccccc12 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N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CSC(c3ccccc3)=N2)cc1 1136331532 BFUBPIYXRDVCGS-QHCPKHFHSA-N 427.529 4.832 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 1137426039 VALKEFBINWEIRZ-RPWUZVMVSA-N 448.563 4.628 30 10 IJEE C#CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1)c1ccccc1 1137622568 QSIKJPAESGMIMQ-HSZRJFAPSA-N 432.545 4.599 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(Cl)c1 1157893890 RHQDUXRUAICIOV-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCN(C(=O)CN[C@@H]1CCOC1(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1170377588 PLJGBJMTZJHUGR-QGZVFWFLSA-N 440.396 4.793 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](Cc2ccccc2)C(C)C)n(-c2cccc(F)c2)c1C 1176129592 FORITDSXKLSBLL-DEOSSOPVSA-N 432.543 4.900 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c(Cl)c1 1179655888 KGPNONNYDHNQFU-UHFFFAOYSA-N 442.899 4.822 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CCN([C@H](C)c4ccc(Cl)cc4)CC3)c2c1 1185517911 HTOFAWBUUPBJTD-MRXNPFEDSA-N 436.943 4.660 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1c[nH]c2ccc(OC)cc12 1206194310 HAEFQSUQAHJEQV-UHFFFAOYSA-N 444.329 4.868 30 10 IJEE C#Cc1ccc(NC(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Cl)c1 1209898011 KNNVXSLPFJQKKT-UHFFFAOYSA-N 443.935 4.734 30 10 IJEE CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H](Cc2ccccc2)C1 1214972272 GOBWTELRGRXFJQ-HSZRJFAPSA-N 426.520 4.741 30 10 IJEE CN(Cc1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1nn(C)cc1C#N 1215500457 BPYDVKLJUQDIDG-UHFFFAOYSA-N 425.492 4.688 30 10 IJEE C#C[C@@H](NC(=O)NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(Br)cc1 1221577144 IXWFRWWUQKRFJR-GOSISDBHSA-N 430.733 4.800 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)CCCC1(C)C 1223819508 QDVMBRYPDDVSLA-GMAHTHKFSA-N 441.616 4.915 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 1227996206 BXLABSJWSQPKEB-QUCCMNQESA-N 436.339 4.597 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 1286309627 SXMRZXKSSYNHKA-IEBWSBKVSA-N 447.505 4.751 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC2(CCCC2)C1 1286317629 SSPIKYCOLZHEIQ-UHFFFAOYSA-N 443.389 4.661 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1286317746 OSGNIVGECHSGFS-UHFFFAOYSA-N 447.970 4.896 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCCC2)CC1 1286341640 HKWIYZLYMKVHIZ-QFIPXVFZSA-N 435.616 4.513 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCC[C@@H]1CC 1286436943 BSTBIGVKNMSJQZ-NRFANRHFSA-N 430.600 4.526 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCc1cccc(C)n1 1286460724 REUJYCQNYIMKEU-UHFFFAOYSA-N 445.611 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)C1CCN(CCC)CC1 1286562822 TYJJKGWFNAEYGM-QPPBQGQZSA-N 437.632 4.545 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1286607185 LWLBMYQBTHTGMS-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1286682153 FPKZSPIBFNGZDL-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(c2nc(C)no2)CC1 1286692891 QLYCKOMWCWDFDD-UHFFFAOYSA-N 444.486 4.588 30 10 IJEE CCc1cnc(CCn2c(CC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)s1 1292626267 GNURGFGARFGPNZ-UHFFFAOYSA-N 446.624 4.904 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N1CCCC1 1300286408 JSQFXPGAANVSMP-OXQOHEQNSA-N 441.938 4.626 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H]1OC 1300595792 QPSGHFRWPYWDHJ-WIYYLYMNSA-N 443.016 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(CCOC)CC1 1300905062 KPQRBNZPWILKNU-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@](C)(O)c1cc(C)oc1C 1300925028 NGRAYVXEBYXWDZ-XMMPIXPASA-N 442.535 4.516 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)C1CCN(CCC)CC1 1300939488 WODZXLBLHZPYNB-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2C[C@@H]2C)CC1 1301133898 BULXMHXXUGHVCU-RDJZCZTQSA-N 431.378 4.678 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccn2C)n1Cc1nnc(C(C)(C)C)s1 1301167540 BFFOVPKZQBEPPQ-UHFFFAOYSA-N 427.622 4.664 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301177202 VINGTZDMCHFSNN-UHFFFAOYSA-N 442.007 4.936 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](C)C1 1301240669 FNVNWWQAHKUAJL-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1301305711 MDZUPEYLZBOIQP-SFTDATJTSA-N 434.632 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@H](C)C1 1301347648 ZAEVMDLFFCMCTP-KJOQGJGQSA-N 438.616 4.948 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)N(C)CC 1301405293 DBOXEQKTSABFFZ-UHFFFAOYSA-N 449.599 4.549 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1301594894 LIXURKMBTDWFIH-QGZVFWFLSA-N 448.608 4.870 30 10 IJEE CSC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1302511765 AESPPUWWLDVHKD-VBKZILBWSA-N 437.972 4.655 30 10 IJEE C[C@@H](NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1312126740 BXAACQSOZJRANP-QGZVFWFLSA-N 436.556 4.889 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)c3cc4cc(Br)cnc4n3C)c2C#N)C1 1348101047 FPRBAEPNSHBRQS-SNVBAGLBSA-N 429.343 4.646 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 1356270253 MDWGBHXDOQCXKL-UHFFFAOYSA-N 426.563 4.659 30 10 IJEE C#CCCCn1c(N2C[C@H]3CCCCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935647 PAVPUJFNNGOPQH-MXEMCNAFSA-N 441.620 4.621 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](c1ccc(C)cc1)N(C)C 1358941809 YTEMXIAUXYLNBI-SIKLNZKXSA-N 447.652 4.812 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(Cl)s1 1359003428 KKQUHLPRMGWQNY-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1359057736 HKGPKIOHNPYNEO-OAQYLSRUSA-N 426.630 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCOCCC(C)C 1359067460 OHMVKXAOLFGUGU-HSZRJFAPSA-N 430.980 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1359072480 FOFOWPWJLYJLCK-SQJMNOBHSA-N 441.570 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCO[C@H]1C(=C)C 1359111700 JXCJYRXGZNRHJP-REWPJTCUSA-N 433.556 4.984 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1359121387 MADJEIRQBUYZKU-LJQANCHMSA-N 431.378 4.852 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C(C)(C)O)cc1 1359234552 SLRBHPSPJMCZQW-UHFFFAOYSA-N 447.402 4.667 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CC 1359261783 WBKCXVIWFVXJIK-DZRGJMJISA-N 444.595 4.689 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@](C)(OC)C1CC1 1359267374 DZMDHLMWXVEKBS-NRFANRHFSA-N 431.378 4.701 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1C 1359342531 ZWNRHBKPZRPAKS-CEXWTWQISA-N 449.665 4.547 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CC(=O)N(CCCC)[C@H]2c2ccc(OC)cc2)c1 1359822322 HMUWMRPGGIJLNV-NOZRDPDXSA-N 436.552 4.979 30 10 IJEE C=CCc1ccc(OCC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c(OC)c1 1360653120 SWCCSCNCZMNESR-UHFFFAOYSA-N 444.369 4.755 30 10 IJEE C=CCn1c(SCC(=O)N2CCS[C@H]3CCCC[C@H]32)nnc1-c1ccc(Cl)cc1 1361179226 PXFIXBZZTDWSNM-MSOLQXFVSA-N 449.045 4.763 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 1436556599 GFMDGRUPIAOWHT-ZEQKJWHPSA-N 439.559 4.978 30 10 IJEE COc1ccc([C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)N2CCCC2)cc1 1440370070 HRWWSNJNPMAKPS-XMMPIXPASA-N 441.531 4.926 30 10 IJEE C=C(CN(C)C)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 1441766605 SIIFSYUFUPIYFK-UHFFFAOYSA-N 437.409 4.828 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2sccc2NC(=O)Cc2ccc(Br)cc2)CC1 1455448333 RAVDMFXDELVKIH-CZIWCDLHSA-N 445.382 4.614 30 10 IJEE CC[C@H](C)NS(=O)(=O)c1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 1461489178 DLKXXYITTDHOTO-IBGZPJMESA-N 449.576 4.826 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1 1461557272 FSDMDCAVSKBGKB-SFHVURJKSA-N 441.494 4.758 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(OCC)c(OCC)c1)C(C)C 1463801422 VZMIRYQPUUXZEZ-DENIHFKCSA-N 446.588 4.604 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F)C(C)C 1465676228 AZXXRRLHMWIVFB-HXUWFJFHSA-N 434.556 4.993 30 10 IJEE C[C@H]1C[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1Cc1ccccc1 1466342612 HRURFNPKXATDTP-HNAYVOBHSA-N 432.446 4.631 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](CC(=O)OC)c2ccc(Br)cc2)c(Cl)c1 1467401931 SUBMCZFJFBAWHR-QGZVFWFLSA-N 435.705 4.510 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(O)c(Br)cc2Br)cc1 1472557302 XGZYWRGHGNYYRF-UHFFFAOYSA-N 441.119 4.663 30 10 IJEE N#Cc1ccccc1OC[C@@H](O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1Cl 1473301078 GGJHVDBIIUSODP-WMZHIEFXSA-N 427.331 4.984 30 10 IJEE C#Cc1ccc(S(=O)(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1 1475025276 FFJVCLXMMMSVOW-UHFFFAOYSA-N 431.435 4.958 30 10 IJEE CS[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1505162935 AZMNCCGWJFWOHY-NWDGAFQWSA-N 442.814 4.851 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(N(C)C)CCCC1 1507517404 HHILOVVQQPEABG-GOSISDBHSA-N 448.640 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOCC(F)F 1507519196 QHIVREXXMGNLCG-HNNXBMFYSA-N 445.539 4.507 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCSC1 1507520460 ZUJRHMVBLITYAC-NQIIRXRSSA-N 433.625 4.954 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](N2CCCC2)C1 1507576510 XDOMBCLZGFUFBG-PKTZIBPZSA-N 435.616 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1507817055 OWCCTVSGUGGGJX-OYRHEFFESA-N 427.612 4.778 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OCC2CC2)C1 1507838867 ZJUZREMTEMZBPM-LJQANCHMSA-N 448.970 4.726 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC2(CCC2)C[C@@H]1CC 1507857403 MIDWXUAUWWMFLC-HNNXBMFYSA-N 438.801 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1507910789 AQUYTVFRODWASI-UHFFFAOYSA-N 447.986 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1507920207 ULWNGDCHYLQPNZ-ZWKOTPCHSA-N 430.618 4.798 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1507928435 FDRMTBNHNLWSLA-OALUTQOASA-N 427.618 4.834 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1507933988 VVFUVFZLEJAGOS-NRFANRHFSA-N 428.483 4.674 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@H]1CC 1507954591 ODOSGIYTLUDDRW-UYAOXDASSA-N 431.625 4.984 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC=CCC1 1507959283 ODVRESRSWCTRQH-UHFFFAOYSA-N 437.769 4.720 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507978907 UZDKIMXRVDNMQN-VXKWHMMOSA-N 447.631 4.511 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CCc1nc2c(s1)CCCC2 1508019130 DRUGXIPBNSGYAV-UHFFFAOYSA-N 437.588 4.764 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(OC)c(F)c1 1508021141 QHQXJRKDVFQBPN-DENIHFKCSA-N 442.579 4.766 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2CCC(C(F)(F)F)CC2)n1 1511101189 CGQQJDUEQFTUML-UHFFFAOYSA-N 432.494 4.757 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2ccsc2)C1 1512098501 FCMXKYCPHFZNFP-QATBIIFWSA-N 435.597 4.801 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 1518023045 HYYUWHNNFSQTNJ-UHFFFAOYSA-N 446.588 4.950 30 10 IJEE C=CCN(C(=O)c1ccc(OC(F)F)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)OCC 1522960446 TUWXXWRYFSHARQ-GOSISDBHSA-N 437.870 4.744 30 10 IJEE Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(Br)cc3C#N)c2)cc1 1526183563 CXGWUQJLWFIMQW-UHFFFAOYSA-N 448.320 4.812 30 10 IJEE CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1529906364 ARONOJPEOGWMGH-LJQANCHMSA-N 434.540 4.757 30 10 IJEE C#CCN(C(=O)c1ccc2nccc(C)c2c1)[C@H]1CCOc2ccc(Br)cc21 1531553388 KYEUYPBQWCPKCM-NRFANRHFSA-N 435.321 4.905 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(CC)nc2onc(C(C)C)c12 1531612932 QSUUFCHGEVUOGA-UHFFFAOYSA-N 438.480 4.652 30 10 IJEE C#CC[C@]1(C(=O)N=[S@@](=O)(CC)c2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1538621954 QLWPEHCTTPEAFA-ONOMSOESSA-N 438.977 4.506 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@H](C)N1CCCCC1 1539347463 ULJYBZJUOTZGDR-NRFANRHFSA-N 430.600 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccc(C#N)o1 1539566382 JISUSYXCDSJGFI-AREMUKBSSA-N 443.551 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCC1(F)F 1539666420 ZNGZXKSIEWUNRX-MRXNPFEDSA-N 442.514 4.822 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@](C)(CC)C1 1539729472 JDJWPYLPRGPESO-FDDCHVKYSA-N 448.995 4.670 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1539734784 FBNBZSVPHCNRSR-DENIHFKCSA-N 426.605 4.839 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOCC2(CC2)C1 1539817274 MVLTXGTUZKMSCB-UHFFFAOYSA-N 430.980 4.524 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCC(F)(F)C1 1539944615 DFATYPMUSXEGAY-MRXNPFEDSA-N 435.519 4.624 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1540115621 HXJJJNQCWHRKRC-JOCHJYFZSA-N 444.988 4.635 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2cc(Br)ccc2C1 1540861308 KSRGPVKXPSDWKB-RTBURBONSA-N 445.405 4.708 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540911619 XBBQATTZJPFTSJ-CVEARBPZSA-N 438.016 4.576 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1543002607 GWKDXIBVFKOROC-SANMLTNESA-N 445.615 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1543020670 GVJBFTSGYFSSJN-FQEVSTJZSA-N 436.512 4.864 30 10 IJEE CC(C)(C)CC[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)OC(C)(C)C 1543702446 GXUOOKDVEAEPSV-IBGZPJMESA-N 440.540 4.997 30 10 IJEE C=C(Cl)CNC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1544096460 ODRREAWDQKCZKH-SFHVURJKSA-N 438.955 4.906 30 10 IJEE Cc1ccc(Cc2sc(NC(=O)CCCC(=O)Nc3ccccc3C#N)nc2C)cc1 1544681825 GSPFCHUYZNPAOP-UHFFFAOYSA-N 432.549 4.970 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 1557178538 LKNHRXUIRRCKTQ-FCEWJHQRSA-N 446.979 4.741 30 10 IJEE C=CCNc1ncc(C(=O)N[C@@H]2CC3(CCC3)Oc3ccc(Br)cc32)s1 1558424149 DNCVXNZPIFSEHH-CQSZACIVSA-N 434.359 4.680 30 10 IJEE C#C[C@@H](NCc1cc(OC)c(Br)cc1F)c1ccc(Br)cc1 1560855408 YLHMQTGAUYJKJG-MRXNPFEDSA-N 427.111 4.823 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 1562929158 JGGDBWQVSUHIOQ-INIZCTEOSA-N 443.700 4.662 30 10 IJEE C[C@](Cc1cccc(Br)c1)(NC(=O)Nc1ccc(C#N)cn1)c1ccccc1 1563124476 HTMPIIFDTJRUGS-JOCHJYFZSA-N 435.325 4.995 30 10 IJEE C#C[C@H](NC(=O)CSc1nccn1-c1cc(C)ccc1C)c1ccc(Cl)cc1F 1568898859 WOGQNJNWDCINTE-IBGZPJMESA-N 427.932 4.864 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1583337691 LCQQODQHABZVEI-UZLBHIALSA-N 428.426 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccnc1 1587561935 JBQFIHYLIRGOAZ-OALUTQOASA-N 437.975 4.784 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nc(C)c(C)s1 1587567593 HZDRMIIGHZCNQE-AWEZNQCLSA-N 448.621 4.957 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCO[C@@H]1CCCC[C@H]1C 1587946387 ZKRLUCBGKVKMOV-DNVCBOLYSA-N 449.368 4.511 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@H](c1ccsc1)N(CC)CC 1588297725 FKICIOYTYFVSQQ-OAQYLSRUSA-N 425.577 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)[C@H](C)Cc1ccccc1OC 1589548014 XMHQOSTZXUBKDG-ZYKOEDHHSA-N 426.605 4.534 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1cccs1)C(C)C 1589559361 QKJCHLWBEOJWND-XXBNENTESA-N 437.613 4.722 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1593666796 ZLFUUXVANAULTG-CABCVRRESA-N 437.407 4.526 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1Cc1cccs1 1593757619 KJQASNGCBDRWMH-LJQANCHMSA-N 428.627 4.796 30 10 IJEE C=C(C)COCCn1c(N2CCC(OC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1593769918 TVKWDGHINOGIGM-UHFFFAOYSA-N 438.616 4.735 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1593878295 GZUSSIIMLUFRCJ-JZXOWHBKSA-N 438.016 4.627 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1594544319 IIZDFQUWHZZQNT-QPPBQGQZSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1594581994 JUUDGJGBFPMQRL-GOSISDBHSA-N 429.977 4.989 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1594803390 UAJNOIUCRCABQE-HXUWFJFHSA-N 434.588 4.596 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1CCCCN1CCC 1595127759 YJWJISBFHVAASW-JOCHJYFZSA-N 448.590 4.936 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](OC)c1ccc(F)cc1 1595156663 OQEINOMORXRDIV-NQIIRXRSSA-N 442.560 4.563 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(Sc3ccccc3)CC2)C1 1595728731 DCRIRZAMHYPXOM-IBGZPJMESA-N 426.630 4.973 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](O)c1ccccc1C(F)(F)F 1611099030 MSXAFSLMHDKVRO-QGZVFWFLSA-N 446.238 4.855 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@]3(C2)CC(F)(F)C3(F)F)s1 1616349155 CIWIMQQUGKUGIL-CQSZACIVSA-N 428.904 4.732 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2ccc(Br)s2)s1 1616735098 QFOKHUGZCJWCHZ-UHFFFAOYSA-N 440.384 4.656 30 10 IJEE COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC#N)CC1 1619760410 HUHRDOLNNIKJSI-UHFFFAOYSA-N 445.995 4.800 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12 1629601354 SJUSANGVTFFLRH-UHFFFAOYSA-N 449.308 4.976 30 10 IJEE C=CCC[C@@H](NC(=O)C[S@](=O)c1cccc(OC)c1)c1ccc(C(F)(F)F)cc1 1631195281 RSAHQHVUKHUZNO-XBBWARJSSA-N 425.472 4.645 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F 1631792429 JZSDNINGLAMKMI-UHFFFAOYSA-N 434.458 4.894 30 10 IJEE C=C[C@@H](C(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1)c1ccccc1 1634221477 KVYTWPSXOZCKIU-LJQANCHMSA-N 448.460 4.791 30 10 IJEE C=CCCONC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1634250747 FTCZBEQEJPWOAH-UHFFFAOYSA-N 432.476 4.556 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 1635494496 IZOJDDBFQDTQQM-UHFFFAOYSA-N 432.442 4.686 30 10 IJEE C#C[C@@H](NC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1ccc(Br)cc1 1637663560 UWSFVILOJIHKDG-AUSIDOKSSA-N 442.353 4.654 30 10 IJEE C=C(C)CONC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 1639694869 OSZGEWCQJJXKDI-UHFFFAOYSA-N 425.337 4.962 30 10 IJEE N#Cc1cc2c(nc1OCc1nnc(-c3ccc(Br)s3)o1)CCCCC2 1644176037 CEMIGMOZXFRZKY-UHFFFAOYSA-N 431.315 4.675 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl 1644617655 FTJORCIGAQBVJA-SJORKVTESA-N 445.387 4.735 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c(Cl)c1 1648155966 UCJJIYYZCKWWLO-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1ncc(Br)cc1O 1658816818 YUSVMQOCVGGXEO-UHFFFAOYSA-N 430.115 4.640 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 1659604528 NXVIZTHUQNNLMI-IBGZPJMESA-N 441.261 4.889 30 10 IJEE CC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F 1661362117 ILCQZCWVNVLHOI-OAHLLOKOSA-N 443.340 4.629 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1OC 1662048156 NHICRPMDRHHNJE-HXUWFJFHSA-N 448.485 4.560 30 10 IJEE CC(C)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(F)cc(C#N)cc1F 1665264721 CTGYDBICKNMLEX-UHFFFAOYSA-N 432.414 4.702 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(C(F)F)cc1 1666959802 WEXLQJVJWYPGAC-UHFFFAOYSA-N 434.277 4.903 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC 1667555671 YLZSCHPIORQVPP-XMMPIXPASA-N 434.467 4.766 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CCOc2ccc(Br)cc21 1668910732 IXXIGJOMNKJMJE-QXOCSCLMSA-N 431.374 4.886 30 10 IJEE C=CCC[C@H](NC(=O)N(CCO)Cc1ccccc1OC)c1ccc(C(F)(F)F)cc1 1670827047 SGQRDSLEOBNWCW-FQEVSTJZSA-N 436.474 4.925 30 10 IJEE C#C[C@H](NC(=O)NCCc1cc(Cl)cc(Br)c1)c1ccc(Cl)cc1 1683507889 JTDLKUNZKTWMJY-KRWDZBQOSA-N 426.141 4.972 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)N1CCCCC1 1689836064 XSOCJYSRNIWOJU-RTBURBONSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC[C@H](OCC)C(C)C 1689842815 JNDVHZAXKUTSNP-APWZRJJASA-N 433.394 4.617 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)(C#N)CC1 1690251535 WHBWSYOHKPRHLH-XUZZJYLKSA-N 449.599 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(Cc2cccs2)C[C@@H]2CCCO2)nnc1C(C)(C)C 1690253473 QZGCMSGMARUVTJ-ZJOUEHCJSA-N 444.645 4.804 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccsc2Br)CC1 1690410302 HIIVECVXIDNKIM-MRXNPFEDSA-N 437.407 4.794 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1690410462 MBPBVRVEFVSBNO-QFIPXVFZSA-N 434.506 4.788 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(O)(Cc3ccccc3F)CC2)nnc1C(C)(C)C 1690439432 FUGLCJGMFDDYCF-UHFFFAOYSA-N 428.596 4.891 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690492176 OXLKPOPKWVCJSO-LJQANCHMSA-N 438.494 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1cc(F)cc(OC)c1 1690579904 WXFCHTYFXWDTMK-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1693639192 CKICMHFXMOUXHR-AUSIDOKSSA-N 439.579 4.733 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)C1(C)C 1696193410 IERIUZXGBICSKI-VQTJNVASSA-N 427.618 4.598 30 10 IJEE COC1(CCn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC#N)CC2)CCC1 1697221373 GVJZVUZGFOMQHT-UHFFFAOYSA-N 439.629 4.968 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCOCC(C)C 1705670320 PLNRZFBVIWUWQA-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(F)(F)F 1705700568 VSMTZWVYMJBWRD-QFBILLFUSA-N 447.461 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(Cl)c1 1705703762 OSDNDBZHAGBCAE-RXVVDRJESA-N 425.964 4.555 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)CCSC 1705703983 QEJLJCMISPWUEA-OPYAIIAOSA-N 430.618 4.513 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CCC)CC1 1705768675 YILIAYCUOPJCML-HSALFYBXSA-N 429.609 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCOC1 1705788193 SCPVBJZUXDYNEO-MRXNPFEDSA-N 433.394 4.783 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC(F)F 1705807141 UQHPZVOTEQBKSO-UHFFFAOYSA-N 441.567 4.840 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCc1nc(C(F)(F)F)cs1 1705846968 ZTYMVOQDKCXCPY-UHFFFAOYSA-N 437.491 4.506 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCN2CCC)C1 1705918541 LJYLBTMKIDMGKR-PMACEKPBSA-N 444.023 4.644 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(F)(F)F)C1 1706934578 CCBUZVMLEOKWQM-OAQYLSRUSA-N 428.462 4.966 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)OC 1708361502 CQKCSJGUWIVHQS-YPAAYVHUSA-N 446.599 4.993 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722399641 XTNRUXHZFTVGDT-AOYPEHQESA-N 446.639 4.758 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1722496640 MRHZXJMDITXBPV-DBBLALLESA-N 440.588 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722531764 UBOAZZPLKLOBCU-JOCHJYFZSA-N 436.556 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1CSC 1722588904 AGKAUWRVFDVZMU-IBGZPJMESA-N 425.602 4.663 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1722597413 MCOWBMAENKTEQM-ROUUACIJSA-N 428.577 4.952 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1OCCC1(C)C 1722656505 WVEYABSOFVFOKY-HSZRJFAPSA-N 433.600 4.890 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncccc1N(C)C 1722668200 MSNROUPVCMXTRU-UHFFFAOYSA-N 448.640 4.963 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccncc1 1722673917 JMIKEMCYGGYIGS-DHIUTWEWSA-N 449.599 4.663 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C1CCC1 1722735125 JTKOFWLOCFPOGI-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C1CCC1)OC 1727152257 BTCUUJYRLCGILO-QFIPXVFZSA-N 437.588 4.703 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cn2ccsc2n1 1740543878 YCGBMXMZIAWMSG-GOSISDBHSA-N 448.596 4.585 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H](OC(C)C)c1ccccc1OC 1740555441 IUCODRMQOSVTPC-GCJKJVERSA-N 438.597 4.563 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CC)CCC1 1740558442 VKFQOIYAXYOVFM-INIZCTEOSA-N 431.378 4.658 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(F)cc1 1740582737 QWJCQLQIVJKHNZ-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@H]1OC 1740648575 MQQAYWFUBSNXEK-OXJNMPFZSA-N 431.367 4.530 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccsc1 1740714037 PKLKVLFUEAPMSZ-UHFFFAOYSA-N 447.427 4.772 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1740836809 NISQAYQDJWJNLE-CPJSRVTESA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H](C)N2CCCCC2)CC1 1740841942 GVXWMXUGWPFNEP-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1740848335 ICRNWBFDCXEQME-FGZHOGPDSA-N 426.605 4.643 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1740858933 BYNGKHQIQAJCNS-KRWDZBQOSA-N 447.509 4.697 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 1740866021 XWUBURWQVJFCKR-HNNXBMFYSA-N 439.423 4.989 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1740873307 OVBSSIBFTVUDEQ-QFIPXVFZSA-N 439.991 4.853 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1740873945 JXLISRHNQZVWIJ-OAQYLSRUSA-N 432.515 4.812 30 10 IJEE C=CCCCn1c(N(C)Cc2ccccc2C(F)(F)F)nnc1[C@]1(OCC)CCOC1 1740882004 XDVMCIYWCFYDCD-NRFANRHFSA-N 438.494 4.552 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCS1 1740938380 FEQGQGLTMXDTET-WMZOPIPTSA-N 432.659 4.666 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CCO1 1742947315 CDFWMNDLMWSZTC-UXHICEINSA-N 433.600 4.946 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1CCO[C@H](C)C1 1748649223 LLBITKBYGPQWQW-XHSDSOJGSA-N 449.368 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1COC 1748651995 VMIGWQRHEADSPH-ROUUACIJSA-N 434.609 4.784 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)CC 1748713987 GIXIZULVYXIIMT-UXHICEINSA-N 431.625 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)S[C@@H](C)C1 1749126030 ZQKYBIYLARPYFL-LJCCNALRSA-N 433.021 4.910 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(N(C)C)CCC2)CC1 1749347148 LDABLHPKZJKXSX-UHFFFAOYSA-N 425.646 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)nnc1C(C)(C)C 1749377095 LLTURMRILDWVOU-IBGZPJMESA-N 425.621 4.834 30 10 IJEE C=CCN(c1nnc(C2CCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1749517651 QMQYPJNRDAMNKZ-LJQANCHMSA-N 429.609 4.880 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(CC)s1 1749560909 CXZPKYKAZRBJGK-UHFFFAOYSA-N 432.391 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C(C)C)CC1 1749572829 CTERJTMXUPKBNH-UHFFFAOYSA-N 446.599 4.851 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1760111981 YHIJOLISFKDKDN-GOSISDBHSA-N 446.555 4.502 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H]1CCSC1 1760147314 NAJGDXOMPNWWEP-AWEZNQCLSA-N 439.810 4.716 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC1(CCOC)CCCC1 1760241366 XLMRDZWJAFKSMY-UHFFFAOYSA-N 449.574 4.659 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SC)C1 1760319013 KPATYPQKEQVKHD-BDTNDASRSA-N 437.613 4.520 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1760390309 CNAMDGMEXZOZET-SFTDATJTSA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC(F)(F)F 1760408490 CYCUPIVWSVSUNU-UHFFFAOYSA-N 434.304 4.647 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccn2C)n1Cc1ccc2c(c1)OCCCO2 1760419147 JBUVAGCHFWAECX-UHFFFAOYSA-N 435.572 4.676 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)s1 1760484586 DWELIQVNUUAVRM-LJQANCHMSA-N 426.561 4.922 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1cccc(C(=O)O)c1 1772736503 MKRFHHPIQBYTLD-NOPVENIWSA-N 431.311 4.771 30 10 IJEE CC[C@H](C)[C@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)C(=O)O 1858944462 CTOXFNNVXOABPH-NYHFZMIOSA-N 445.475 4.551 30 10 IJEE CC(=O)OCCn1nc(C(=O)Nc2ccccc2C#N)cc1-c1ccc(Cl)cc1Cl 1859406790 JLMZPCUOKQFBTE-UHFFFAOYSA-N 443.290 4.544 30 10 IJEE CC(C)(C)c1ccc(/C=C/C(=O)C(=O)Nc2ccc(I)cc2)cc1 1860722735 PLGFWVAZAZZHSK-AWNIVKPZSA-N 433.289 4.810 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccn(CC)c1=O)c1ccccc1 1861278239 XDCTVQORDAORHN-QHCPKHFHSA-N 439.600 4.596 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432670 KGOBVGQLVRVYLB-HNAYVOBHSA-N 432.303 4.751 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(O)c(O)c2)c1 1862489225 SGUDZBGHAKRTRK-QFIPXVFZSA-N 449.528 4.597 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(CC)cc2)cc1 1862529192 CISQUGQSMSOFTD-XMMPIXPASA-N 426.516 4.985 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862540165 HXTUHNLAFCVESS-HXUWFJFHSA-N 443.927 4.995 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862565337 VNMDVXLMGNZJPZ-QHCPKHFHSA-N 446.503 4.819 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862614997 GSOOFROMOPWBCY-GGAORHGYSA-N 449.547 4.750 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1 1862634123 UIAIMFOUWGGQBR-BUXKBTBVSA-N 447.409 4.811 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc2cc[nH]c2c1 1862714255 HSTXJZJTUVUWPE-XMMPIXPASA-N 440.499 4.936 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862721429 FBTPPKMJZZXTGW-UUOWRZLLSA-N 427.500 4.621 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3Cl)=C(c3ccc(F)cc3)C2=O)cc1 1862768573 UFQBIFCPTMDVTA-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879072 HFCLNGXLHBHHAB-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE C#CCOc1cn(CCc2ccc(F)cc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870300712 RCEVSYYIUQUIIJ-UHFFFAOYSA-N 447.535 4.552 30 10 IJEE C=CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1870810882 WMKUTYMWNPJEOB-RUZDIDTESA-N 430.548 4.795 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1cc(C)ccc1C 1870972396 XGLYRYZUZDMZQG-UHFFFAOYSA-N 441.616 4.953 30 10 IJEE C=CCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1CNc1ccccc1 1871037345 CYRVRIBZWPWTME-UHFFFAOYSA-N 438.911 4.745 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1ccc(C)c(F)c1 1871191269 SDZGGKNOHAEFOD-UHFFFAOYSA-N 449.526 4.728 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)c1 1871374744 XRPLGSGYHQFLIF-XKZIYDEJSA-N 445.427 4.676 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(OC(F)(F)F)cc2)[nH]1 1871573758 OLTNVSXFNOZNEB-UHFFFAOYSA-N 436.482 4.572 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CC 1872165525 RWKKXJNOEUZJOF-QFIPXVFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1872289879 BNTXVNYQUWELEF-DVECYGJZSA-N 440.609 4.611 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(F)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872375471 NIBRBUFBQJMZHG-QFIPXVFZSA-N 442.487 4.522 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cccc2ccccc12 1874434100 NMBZXKALRHLJGZ-LGJNPRDNSA-N 449.967 4.895 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCC2)cc1 1874498533 NFESTJYPRMQTLN-BIKZULFDSA-N 433.581 4.706 30 10 IJEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(OC)c(OC)cc1OC 1874504918 IKALURCTJVHUMI-ZVHZXABRSA-N 440.569 4.739 30 10 IJEE COc1ccc(Cc2nnc(S)n2/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 1874562921 ZOZLAELXENSJIB-CVKSISIWSA-N 448.523 4.767 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2ccccc2Cl)cc1OC 1874608758 FVPHYFSKHQMRNG-VAWYXSNFSA-N 431.916 4.501 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1OC 1874693974 GCMNMSQMQHCGDG-RMKNXTFCSA-N 432.428 4.548 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)Cc2ccc(Br)cc2)c1 1874729399 SPLOAENVUBTGOB-UHFFFAOYSA-N 442.353 4.844 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C1CC1 1875146037 AMPYSUGTYJFZMA-XVNBXDOJSA-N 428.868 4.721 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 1875159636 IJNRHICNOCWHHQ-IZZDOVSWSA-N 436.395 4.643 30 10 IJEE CSc1cccc2sc(N(C)CC(=O)N3CCC(C#N)(c4ccccc4)CC3)nc12 1892350035 INWAYTFBGHPTQD-UHFFFAOYSA-N 436.606 4.538 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1ccccc1C#N 1901533719 BHMOBTFQVUSGQG-XMMPIXPASA-N 439.515 4.838 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1C#N 1901534298 HXONNEPLPPGDRU-QHCPKHFHSA-N 443.478 4.953 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 1924224479 XDQSOKDXQXZAMW-ZEQRLZLVSA-N 449.592 4.618 30 10 IJEE CC(C)[C@@H](S)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1946433033 RQSCCHOMACWXMP-SNVBAGLBSA-N 446.002 4.867 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(CC#N)C1 1985178852 MDSHXQQCNGCYNL-DENWMYQTSA-N 445.563 4.748 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2018646646 YDQJJEAKCOPNGZ-DEOSSOPVSA-N 431.577 4.853 30 10 IJEE N#Cc1c(NC(=O)CCN2CCN(CC=Cc3ccccc3)CC2)sc2c1CCCCC2 2040459451 UDXMAIKJIOAUAU-UHFFFAOYSA-N 448.636 4.548 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074146235 WDDTWLDKJFOIFA-SANMLTNESA-N 443.584 4.793 30 10 IJEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)cc1O 2079977449 MDJHVJRSVACJCV-QGZVFWFLSA-N 436.350 4.855 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 2163695270 JHICKASKDCHHBV-UHFFFAOYSA-N 428.349 4.952 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)CC1 2181106869 APWGAJUMEMPMOJ-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN1c1cc(Br)cc(F)c1C#N)C2 2200727630 CPFDGIKEUPQLRZ-XCLFUZPHSA-N 438.341 4.734 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CCC 2224254440 WKNDDBURTZBZOY-PBHICJAKSA-N 429.403 4.566 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2232256124 MRSUDYAGUPMWRI-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C1CC(CNC(=O)OC(C)(C)C)C1 2235719728 NZONTFFOOLJPJS-NLPFYKDJSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](N)C#Cc1ccccc1Br)c1ccccc1 2235723813 FFBYZOFKWVLTHV-UYAOXDASSA-N 429.358 4.784 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2235733050 SZWYBVPGFCVVRW-MOPGFXCFSA-N 435.406 4.957 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C 2235749094 GQXJCCUJXTYJEP-QQTQMKHKSA-N 435.406 4.670 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2235749173 HOZOXBYDJGXNSI-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)CC[C@@H]1CC 2261959371 REETXSHWJBSCDR-OFVILXPXSA-N 447.572 4.657 30 10 IJEE C[C@@H](CN(CC(C)(C)C)C(=O)OC(C)(C)C)Oc1cc(Br)cnc1C#N 2272513709 OGLWRDFMGBNBJQ-ZDUSSCGKSA-N 426.355 4.766 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](O)C#Cc1ccc(Br)cc1 2278790501 NKLFMONIWOWESJ-IAGOWNOFSA-N 442.419 4.587 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2288327219 SZOCVXFOSWZRDB-VALFRTSSSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCCC(=O)Nc2ccc(C#N)c(Br)c2)C1 2296142083 KMGJVHXSGNYPJE-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296219493 OWJGEZVFMDTTJL-HKUYNNGSSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 2296287055 RYAYPRHBNNELBJ-OXJNMPFZSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C 2296304932 MXSMJTHCTTUUTE-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)no1 2296554297 JMEKKGMBZSPFDF-SFHVURJKSA-N 429.259 4.916 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 2296603197 AAYHEUJSSQTUAT-MRXNPFEDSA-N 435.288 4.978 30 10 IJEE CCOC(=O)[C@@H](Oc1ccc2c(c1)OC(=Cc1ccccc1OC)C2=O)c1ccccc1 2296867291 HCBSFPZFLZVEDZ-VWLOTQADSA-N 430.456 4.995 30 10 IJEE COc1cccc(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1OC 2296929583 LNBBFLBGRMDUGE-UHFFFAOYSA-N 433.416 4.807 30 10 IJEE O=[N+]([O-])c1cc(C=Nc2ccccc2I)ccc1Br 2297672074 BDVGQMRNNMCOLO-UHFFFAOYSA-N 431.027 4.713 30 10 IJEE CCCCN1C(=O)C(=O)C(=C(O)c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1 2297745503 JSQQSCLGBSVVMK-IBGZPJMESA-N 444.325 4.680 30 10 IJEE C=CCC1(NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2302809177 BDHQLBYZKZAHFQ-RTBURBONSA-N 437.625 4.615 30 10 IJEE CCN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1nnc(C)s1 2314544331 YXPWCCUMGGSLEV-UHFFFAOYSA-N 441.494 4.639 30 10 IJEE CCCN[C@H](C#CC1CCC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2315825692 XZZQKBSAJNJTMX-XMMPIXPASA-N 439.644 4.718 30 10 IJEE CC(C)[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317336638 YFQBTMBKBUORLV-QFQMRYFISA-N 432.370 4.654 30 10 IJEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323153733 BHMPIOMKLODVOE-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2324521892 OPQWTGJTLWSJSJ-QGZVFWFLSA-N 444.487 4.811 30 10 IJEE COc1ccc(OCCOc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324684640 HXLLINYGMWMKJU-UHFFFAOYSA-N 446.455 4.806 30 10 IJEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(O)c(O)c1 2325883467 JKFNCTWVRSMIFX-UHFFFAOYSA-N 448.548 4.848 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccc(O)c(OC)c1 2326379830 GUCHNCJPINDFKO-UHFFFAOYSA-N 440.569 4.615 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccccc2C(F)(F)F)cc1 2326782635 KXPXZVDYKHDHNP-UHFFFAOYSA-N 434.443 4.566 30 10 IJEE Cc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(OC(C)C)cc1 2326862990 VXONIPZNZSPCAC-UHFFFAOYSA-N 442.541 4.706 30 10 IJEE COc1cc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SC)cc(Cl)c1O 2328003368 QACNYJSKBGZSRJ-UHFFFAOYSA-N 437.352 4.688 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)cc1 2328571459 HVRGCYSQMZILGC-UHFFFAOYSA-N 431.565 4.883 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(F)cc1F 2328636468 OCDGWAPQIQPMRH-UHFFFAOYSA-N 428.508 4.901 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1ccc(C)cc1 2330791436 WDECRDARTYWOMQ-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)ccc1Cl 2330961448 VUAFHYJQWFTECV-GOSISDBHSA-N 443.916 4.866 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c(O)c1 2330979741 XUOHALJJJYZLFE-JOCHJYFZSA-N 446.532 4.869 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1OCCC 2331101261 IWXPXZMBJLMYFN-UHFFFAOYSA-N 430.574 4.652 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331432188 ZUDOYPCYSVYSAY-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)c(C)c1C 2331612489 DZCDTEQXGPKUPB-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COC)nnc1SCc1c(F)cccc1Cl 2331616301 FGNADPTYDDEYQZ-UHFFFAOYSA-N 446.935 4.956 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339545470 WRMSPFPNXINQJY-KOSHJBKYSA-N 441.381 4.538 30 10 IJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(I)ccc1Br 2339567796 MUVUTCRDVKWTEF-ABAIWWIYSA-N 432.143 4.754 30 10 IJEE Cc1cc(CN(Cc2ccccc2)CC2CCOCC2)ccc1B1OC(C)(C)C(C)(C)O1 2343686831 QCZQVECTHMVVHM-UHFFFAOYSA-N 435.417 4.723 30 10 IJEE N#Cc1cc(F)cc(OCc2ccc(I)c(Br)c2)c1 2349920515 JWDXVBNODUGLNQ-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2360197274 JJJGCTZURTWHDF-BPXKWBHBSA-N 435.406 4.672 30 10 IJEE COC(=O)/C(=N\Nc1cccc(C)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 16349448 RUMQSZASIBMRMV-HPNDGRJYSA-N 443.532 4.933 30 10 IJEE O=C1Nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2N/C1=C\C(=O)c1ccc(C2CCCCC2)cc1 20156414 WMXSCGMKWKVBCV-PDGQHHTCSA-N 436.424 4.682 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)c(F)c1 20905310 MDJGRFODZHUKRY-WYMPLXKRSA-N 434.500 4.582 30 10 IJEE CN1CCc2nc(SCC(=O)Oc3ccccc3)c(C#N)c(-c3ccc(Cl)cc3)c2C1 40570021 NUMQNYFKTCQSIJ-UHFFFAOYSA-N 449.963 4.959 30 10 IJEE Cc1ccc(C/N=C(\Nc2cccc(C(=O)O)c2)N2CCN(c3ccc(F)cc3)CC2)cc1 46021749 WURIPAKZSNROGE-UHFFFAOYSA-N 446.526 4.623 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N/N=C\c2ccccc2)N1Cc1ccco1 47137316 HDTNWDSDIPFFPN-PLKVVUSUSA-N 432.461 4.694 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(C)c1 169970513 ILWOYTSBOBYYAB-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccn2)cc1 169991841 HWNFNTVZUONOQB-JOCHJYFZSA-N 443.459 4.896 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2cccnc2)cc1 170004983 SXMZCVYDTQLCJT-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(Cl)c1 170044041 UBDWWGNJZFNWQA-NRFANRHFSA-N 441.911 4.884 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 170051604 PJIGONIJERKDFT-QFIPXVFZSA-N 427.456 4.565 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(CC(=O)O)cc3)[C@@H]2c2ccccc2)c1 170052989 LPBNTUNATAUHKB-XMMPIXPASA-N 441.483 4.713 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(C(C)C)cc1 170067273 DWRNZSCPPDNJMX-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 170083508 QXTRCLASLRGGHB-HXUWFJFHSA-N 445.862 4.705 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccco2)c1 170089858 LANBPEOAQDZJEH-JOCHJYFZSA-N 447.443 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)cc1C 170142556 IEBCXVBQSNJKTE-XMMPIXPASA-N 438.483 4.967 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccc(C)c1 170145763 RMJLOHJQOJKFHL-HSZRJFAPSA-N 437.536 4.645 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(O)c(Cl)c1 170219842 DVXUVMXOULPABU-NRFANRHFSA-N 441.911 4.749 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170257935 WIZUVKGVQNIEFI-QHCPKHFHSA-N 445.446 4.639 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170260608 MWKZBGIGYZNBOX-QHCPKHFHSA-N 429.472 4.643 30 10 IJEE COc1cc(OCc2ccccc2)c([C@H](N)CCB2OC(C)(C)C(C)(C)O2)cc1OC 394913270 INRXNOMKTRPUHK-LJQANCHMSA-N 427.350 4.765 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 406611758 ZIUYAJYWPLLHLV-ROUUACIJSA-N 429.374 4.968 30 10 IJEE N#Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccncc2)ccc1Oc1ccccc1 426921776 UVSMDCIIYMWGAF-VWLOTQADSA-N 448.482 4.590 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 460386730 MZQHAIIKYHEBLM-UHFFFAOYSA-N 445.523 4.863 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 464854972 HHWBRINUXOOMPW-UHFFFAOYSA-N 431.536 4.524 30 10 IJEE N#Cc1cccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 469750124 WXLCVWJYYDQPFK-KRWDZBQOSA-N 428.332 4.810 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 500524175 LFXYLNRBSJOKAS-YADHBBJMSA-N 429.996 4.651 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 505359303 IRTXYVUHUNQDOO-LJQANCHMSA-N 445.317 4.601 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 508867321 PMDDIUJJVCFEDU-NHCUHLMSSA-N 440.588 4.572 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526487111 VCVKDZAQQPNIHP-XMMPIXPASA-N 425.488 4.690 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(C(F)(F)F)cc1 526825790 DVLJRZGXMGCSDX-ROTLSHHCSA-N 448.470 4.820 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc(-c3cc(C(C)C)nc4c3cnn4C(C)C)n2)c1 546357297 XGHLNTNLDJKYKN-UHFFFAOYSA-N 430.512 4.768 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 555272662 MAFNPBBSUSYAJW-FHWLQOOXSA-N 430.980 4.901 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1cccs1)C1Cc2ccccc2C1 557161136 WHISGZPGXMNPEJ-UHFFFAOYSA-N 432.593 4.604 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N3CCC(C)CC3)C2)c1 585964238 GWRWQNSVORMZJW-JOCHJYFZSA-N 426.605 4.570 30 10 IJEE N#Cc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586134800 NSDPTWOBWNTPOT-UHFFFAOYSA-N 432.332 4.651 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C 586156023 IOJDMSFFFAOMIE-UZLBHIALSA-N 432.973 4.990 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)Nc3ccccc3)CC2)cc1 586507744 BDWVENDFQCVXBE-UHFFFAOYSA-N 430.570 4.822 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 608840957 GZLDFQAZWGLEIT-QGZVFWFLSA-N 435.459 4.558 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 618949101 JLEMJABRQZQFRV-LJQANCHMSA-N 431.330 4.679 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 622863505 MUXOWMWHGNIITN-AWEZNQCLSA-N 438.446 4.891 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)c3nc(-c4ccncc4)cs3)o2)cc1 734084190 YFOYUALVUQYSJG-SFHVURJKSA-N 430.489 4.678 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 737840749 BVCXKWPIFQLUJT-LJQANCHMSA-N 434.540 4.679 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(Cc3ccc(OC)cc3)CC2)c1=S 764956745 UUFABLVWOCSROF-UHFFFAOYSA-N 449.624 4.973 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC(=O)OCc2cc(Cl)ccc2OCC#N)CC1 766233985 UOTLMMUNQLMYPJ-UHFFFAOYSA-N 436.936 4.713 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1=S 793522122 CYRHITYJLPAIJY-QFBILLFUSA-N 440.947 4.767 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C)c1ccc(F)cc1 812749732 BUEZHYJODLPFQE-SFHVURJKSA-N 430.405 4.653 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1)Nc1cccc(Cl)c1 1083897233 WVZURDAJNAKPCN-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1 1083923966 HLHCAFJMLYXHCU-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE CC(C)/N=C1\N(C(C)C)C(c2ccccc2)=C2C(=O)C(=O)O[C@]2(c2ccccc2)N1C(C)C 1088695854 WYGBQUHHJFCULZ-ONQGDUAMSA-N 445.563 4.575 30 10 IJEE CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)n1nnc(-c2ccc(Cl)cc2)n1 1124868058 DHWCBQAYUJWIHS-NRFANRHFSA-N 436.947 4.501 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 1126240386 NLWMTAWOCSRRBU-UHFFFAOYSA-N 433.508 4.536 30 10 IJEE C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1129566066 CXIZWIUPKDSFAQ-QGZVFWFLSA-N 433.458 4.980 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 1129663673 JOLATSXZDKXYKR-NHCUHLMSSA-N 431.363 4.902 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc3ccccc3cc2C#N)nnc1-c1ccco1 1129796156 MQAWCGFDDCOETI-UHFFFAOYSA-N 429.505 4.870 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1152319413 HLNMFUFFCJMDOX-KDOFPFPSSA-N 443.371 4.705 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1)c1ccc(F)c(F)c1 1189410349 BCCONELGXRZBGX-GOSISDBHSA-N 429.847 4.727 30 10 IJEE C#Cc1cccc(N(CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)Cc2cccs2)c1 1191960194 HUNFGKBFTZEAKM-LJQANCHMSA-N 448.588 4.939 30 10 IJEE C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1c(C)sc2ccc(Cl)cc12)C(C)C 1211531569 XALDCEUOQALXPT-SFHVURJKSA-N 427.035 4.840 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)Cc3cc(OC)c(OC)cc3SC)cc21 1220204160 CYYSQNUVFWIHBC-UHFFFAOYSA-N 426.542 4.625 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OC)c(OC2CCCC2)c1)c1ccc(Cl)cc1F 1226745460 BOOKZAFKDNZMCW-HXUWFJFHSA-N 430.907 4.983 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1229988652 AHLPBFOPJFVRBD-NRFANRHFSA-N 427.589 4.653 30 10 IJEE C=CCC[C@H](NC(=O)NCCCONC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1230694928 XQOSZRMKTYHUHR-KRWDZBQOSA-N 445.482 4.858 30 10 IJEE C#CCN(C(=O)c1ccnc(-c2ccco2)c1)[C@H]1CCOc2ccc(Br)cc21 1265210597 RKEUSCDQJJVKFL-IBGZPJMESA-N 437.293 4.703 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1286302248 CIKRIZCKCGXOIQ-SFHVURJKSA-N 431.625 4.552 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1286317777 IIFMLQPBNPNYNH-QFIPXVFZSA-N 429.524 4.701 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC[C@H]1CCCCO1 1286362040 BKSNWOXYBYQSJX-HXUWFJFHSA-N 435.597 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1c(C)nn(C)c1C 1286566809 JFAMXRDMVVBZAG-OAQYLSRUSA-N 436.604 4.836 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCSCC(F)(F)F)CC1 1286655449 PXEZJCIECUMIAC-UHFFFAOYSA-N 426.508 4.652 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286678315 VAIBVRAKUKBJDE-OAQYLSRUSA-N 438.572 4.537 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1C[C@H](F)C1)C1CC1 1286738893 IAIJXRQULSAOHB-LNLFQRSKSA-N 433.572 4.643 30 10 IJEE CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)CCO1 1287016747 AZFBNOKGMLTSQI-FQEVSTJZSA-N 443.542 4.894 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)OCC 1287775754 FFWDPKRIVRYAAM-OAQYLSRUSA-N 426.875 4.845 30 10 IJEE CSc1ccc(Br)cc1CCNC(=O)CSCc1ccc(C#N)cc1 1289366880 DPXWWGKDZQWLTH-UHFFFAOYSA-N 435.412 4.635 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300298700 GWRQQWOEJFGYFC-HSALFYBXSA-N 432.616 4.641 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1300362571 RIWMLWVPSYEIDO-NHCUHLMSSA-N 428.964 4.555 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1300416396 FBHSJXOJKFWWKZ-QFIPXVFZSA-N 429.593 4.675 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cscc1C(F)(F)F 1300564618 GTVXMDDERFWIAI-UHFFFAOYSA-N 449.889 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1300809061 RSOYGUMQZCLHJI-GKBBYZSKSA-N 437.607 4.511 30 10 IJEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(F)(F)F)CC1 1301129584 XAHZVFHUZYGYEI-UHFFFAOYSA-N 432.494 4.508 30 10 IJEE C=CC[C@H](Cn1c(N2CCCC[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301167592 CLGRWHIGDYOYBA-POGFHVCPSA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301176796 LMQBEVMDDGGESM-UHFFFAOYSA-N 447.986 4.789 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1301212409 VRVVUHVQECZILM-RTBURBONSA-N 427.568 4.572 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1cscc1C 1301421401 UICSGQFIQKARCI-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1301438003 FVUNRGUIWZDCFB-MOPGFXCFSA-N 445.405 4.986 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)(C)OCC)C1 1301541978 HJGHVKHTZCEOKG-LJQANCHMSA-N 444.645 4.872 30 10 IJEE C=CCC1(O)CN(C(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)C1 1303534045 AZSAOUCEQWEVEO-UHFFFAOYSA-N 436.364 4.524 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCOC[C@@H]2C)cc1 1304437415 GXEPKUQALRGYRV-DCLXLUIPSA-N 439.629 4.682 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CC[C@@H]3SCCS[C@H]32)cc1OCC 1308358653 MHBUBDSRBSJRIM-AYBZRNKSSA-N 444.460 4.882 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1C#N 1310458123 CKWDTUSVZOERKP-FQEVSTJZSA-N 432.484 4.762 30 10 IJEE COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1310721639 CBBFGJVVKFJVNF-FQEVSTJZSA-N 445.523 4.695 30 10 IJEE CC[C@H](C)[C@H](NC(=O)Nc1cc(C)cc(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1310871538 BDIVWNGUNRVLFW-CPJSRVTESA-N 446.595 4.884 30 10 IJEE C=CC[C@@H](NC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccncc1 1312018124 AYRGURVLBJVNEZ-NHCUHLMSSA-N 442.604 4.958 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 1312245783 CLUWRCPFCPIPMW-MAZHCROVSA-N 436.375 4.585 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Br)c(CC)c1 1353819258 VHTCDISWHVVBAP-UHFFFAOYSA-N 433.298 4.754 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CCCN1C(=O)OC(C)(C)C 1355679669 PHVQYLKCOGGIJA-YKSBVNFPSA-N 430.545 4.529 30 10 IJEE CCOc1cc(Br)c(CC(=O)Nc2ccc(Cl)c(C#N)c2)cc1OCC 1356440781 BKFQGGMUVMZLOF-UHFFFAOYSA-N 437.721 4.953 30 10 IJEE C#CC[C@]1(C(=O)O[C@H]2CCc3c(OCC4CC4)cccc32)CCCN1C(=O)OC(C)(C)C 1356457761 KXLSKUYZHXNYCA-BKMJKUGQSA-N 439.552 4.799 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCNC(=O)OC(C)(C)C 1358942455 VQJCCQFCNBGWPL-UHFFFAOYSA-N 439.604 4.617 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1359001182 NSTNHKXDGLHRPC-HNNXBMFYSA-N 432.952 4.974 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccnc(OCc2ccccc2)c1 1359071497 ROAKVOLVPOPGRG-HHHXNRCGSA-N 443.595 4.881 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccco1 1359127851 CCKVVKBGHSGHML-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(C)(OC)C1 1359142286 DRXWVUDELSSJEP-HNNXBMFYSA-N 425.360 4.666 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(C)c2C)CC1 1359188354 MAJXPZJUOJGNMP-JOCHJYFZSA-N 437.632 4.718 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 1359194177 QMUGHMWAEFEEBZ-BJKOFHAPSA-N 437.632 4.658 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1Cc2ccc(Br)cc2C1)C(C)C 1359265038 WYFGLKRZALJEJW-NRFANRHFSA-N 444.421 4.568 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(CC)CC1 1359279234 YEYUTBIWUHKYCL-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1 1360583637 HFJBUQOJIISRBL-CABCVRRESA-N 430.965 4.509 30 10 IJEE C=CCC1(C(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)CCCCC1 1360778551 AZBFRLRJQGLBIE-LJQANCHMSA-N 432.992 4.613 30 10 IJEE C#Cc1cccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 1436733169 LDVWSVWJMIELBX-UHFFFAOYSA-N 437.343 4.821 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 1446807226 IYOJOCRVYVMQJE-CQSZACIVSA-N 431.330 4.882 30 10 IJEE CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 1455462686 FRFLCYLSNWGCRI-DEOSSOPVSA-N 447.510 4.778 30 10 IJEE CCCN(CCc1cccc(F)c1)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1459462820 DGASRBMIVBELPF-UHFFFAOYSA-N 432.543 4.998 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 1460781887 SHIDHMQTMPDSSW-UHFFFAOYSA-N 430.258 4.585 30 10 IJEE CCN(C(=O)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 1462776250 GYYCPFCPJDNVOM-UHFFFAOYSA-N 433.895 4.787 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c1C#N 1464210694 CATAUMDMSNHRKH-ROUUACIJSA-N 448.636 4.960 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(Nc3ccccc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1464718812 NSOYTQCWAHMORH-DEOSSOPVSA-N 445.991 4.536 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1465337671 HYGKBBPKKIGLTF-VQIMIIECSA-N 445.560 4.518 30 10 IJEE C#C[C@H](NC(=O)CSc1nccn1-c1cccc(C)c1C)c1ccc(Cl)cc1F 1467935271 OCOYMYFCOKSQDX-IBGZPJMESA-N 427.932 4.864 30 10 IJEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)c1ccc(Cl)cc1 1468721430 VDURSONOPDQCDC-SFHVURJKSA-N 444.965 4.615 30 10 IJEE CC(C)(C)c1ccc(C(C)(C)CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 1469642304 DHMLVGMOWWUNAR-UHFFFAOYSA-N 432.612 4.661 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=[S@](C)(=O)CC 1471987027 SHSBUBNAKSARKJ-JPZYQRIQSA-N 440.565 4.504 30 10 IJEE CCOC(=O)N[C@@H](C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(C)C 1472581307 AXOFCBPVYULNQC-GFCCVEGCSA-N 432.336 4.685 30 10 IJEE CCOC1CC2(CCN(CC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)CC)C4)C2)C1 1473452822 AFUAFTQIJGUMKV-PKGUJWKASA-N 443.657 4.990 30 10 IJEE C=CCOc1ccc(CNC[C@H](CO)Cc2cc(F)cc(Br)c2)cc1Cl 1474174820 PRKHAEYMZRWGEB-MRXNPFEDSA-N 442.756 4.747 30 10 IJEE COc1ccc(C2(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)CC2)cc1 1476580416 BOKIMFICFMMMPD-UHFFFAOYSA-N 429.524 4.861 30 10 IJEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)Nc3scc(C(C)(C)C)c3C#N)C2)c1 1476646271 GRIGHPPJMRADNS-HNNXBMFYSA-N 442.585 4.582 30 10 IJEE C=COc1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 1476727649 XHUAIJWJQOQKRK-VXGBXAGGSA-N 430.295 4.844 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CCc3ccc(OC)c(OC)c3)CC(C)C)cc2n1 1477121668 YIRDHGKRACLPOD-UHFFFAOYSA-N 436.556 4.972 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1 1477521274 VPXJRNYZMUUSGY-HXUWFJFHSA-N 444.531 4.847 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CCCC2)CC1 1507904431 PVGANQVFENOZKT-OAQYLSRUSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(c2nccs2)CC1 1507911936 QIHMZXKAGDEINK-UHFFFAOYSA-N 426.590 4.622 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1507925947 NBZXBLDRYNULHA-UHFFFAOYSA-N 446.599 4.640 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@](C)(O)c1cccs1)C1CC1 1507995107 DBWNTJIUWFSTHB-DEOSSOPVSA-N 438.597 4.598 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1508025095 OUMQKCDBJPBHKY-CBJLPSGESA-N 438.616 4.611 30 10 IJEE CC(C)CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 1509120556 IEEZEIYKBUOEAI-LJQANCHMSA-N 437.588 4.559 30 10 IJEE CCOC(=O)[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1cccc(C)c1C 1518236109 BQIMYUYFPXCGRN-VWLOTQADSA-N 442.515 4.788 30 10 IJEE C=CCC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 1520113575 NIKVTIXHTBZJQP-FQEVSTJZSA-N 444.453 4.905 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccn(C)c1CC)c1ccc2c(c1)OCCO2 1524357926 KTRUDAZBQGUURD-UHFFFAOYSA-N 432.520 4.771 30 10 IJEE Cc1cc(C(C)(C)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)ccc1Br 1527328800 HMYVVWHVWDATJK-INIZCTEOSA-N 444.348 4.646 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cnnn3-c3cccc(F)c3)cc2Cl)c1 1528035346 BDPVNWBXVWYWTO-UHFFFAOYSA-N 447.857 4.763 30 10 IJEE N#C[C@H]1CCC[C@@H](OC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1528079592 CEDMPVOZIHAYGZ-IFXJQAMLSA-N 427.298 4.941 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3cccc4c(Br)cccc34)CC2)c1 1530808210 FJRFTCXLGWNKMA-UHFFFAOYSA-N 448.364 4.868 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](c3cccc(F)c3)c3cccc(Cl)c3)CC2=O)cc1 1533876727 FXIULHUKOOQARL-YADARESESA-N 447.897 4.609 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1534189329 FRUJAELBZORZOQ-INIZCTEOSA-N 425.367 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](SC)C(C)(C)C 1538971950 GCKQFHLKEGSBFN-YOEHRIQHSA-N 435.435 4.943 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](OCC=C)C1 1539095279 BGDHYLJBNIAFTA-HSZRJFAPSA-N 429.568 4.547 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1539288228 AOPVTHARLCVMAQ-RBUKOAKNSA-N 430.474 4.532 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CC)Cc1c(F)cccc1F 1539628522 QXUVDGYZEKWCIC-VGOFRKELSA-N 439.510 4.626 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1539855405 XDTSASYGTJBICX-WOJBJXKFSA-N 427.662 4.843 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCCN2CCC)CC1 1539855809 IAHCWOAZACRDJJ-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCC(C)(C)C2)CC1 1539897004 YGVIOPKYQMQKTK-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(Cc1ccco1)C(C)C 1539919142 WGSNZOVWDUZPKX-UHFFFAOYSA-N 425.533 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCN(C(C)C)C(C)C 1540056433 HEWOUDJVIHFUPM-UHFFFAOYSA-N 440.455 4.900 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2csc(C)c2)C1 1540884185 LRKZCDMDJIIKCL-PKOBYXMFSA-N 442.560 4.757 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccsc2)N(C)C)C1 1546656058 FSMKRUCRTAPNRF-PGRDOPGGSA-N 434.613 4.808 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](c1ccc(C)cc1)N1CCCC1 1560301447 UFRYSPVOBRNLGO-QFIPXVFZSA-N 427.386 4.696 30 10 IJEE CC(C)[C@H](CCN(C)C(=O)c1c(Cl)cc(C#N)cc1Cl)NC(=O)OC(C)(C)C 1566136482 HKVNRPXYYRXDRN-INIZCTEOSA-N 428.360 4.876 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CC)Oc2c(Cl)cccc21 1567514759 JULMAOBTNFDVLD-ZFWWWQNUSA-N 429.344 4.880 30 10 IJEE C#C[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 1583539035 KNCDLTKBZKJVKR-GOSISDBHSA-N 432.593 4.770 30 10 IJEE C#C[C@H](NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)c1ccc(Br)cc1 1584707773 FFLXMXQYRXMDSQ-WSTZPKSXSA-N 447.170 4.980 30 10 IJEE C#CC[C@H]1CCN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)C1 1587043687 LZKQSDFATJXOMN-KRWDZBQOSA-N 436.968 4.552 30 10 IJEE Cc1ccc(C)n1-c1c(C(=O)OCc2ccccc2Oc2ccccc2C#N)cnn1C 1587337658 AXMLRYHWMNIDIV-UHFFFAOYSA-N 426.476 4.849 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCOC1CCCCC1 1587578999 BNVFWNLQFDXKGM-KRWDZBQOSA-N 432.515 4.744 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1587759799 ZVRPXDGOKZKZCE-DNQXCXABSA-N 431.584 4.654 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1589028074 XNBVAGPDWKXYDE-HXUWFJFHSA-N 438.000 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCCn1nc(C)cc1C 1589151324 XJAIMEFQPMDMQT-JYFHCDHNSA-N 430.600 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1cc(Br)cs1 1589528866 IUZXPPBQXQTNEX-YOEHRIQHSA-N 437.407 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1589558090 JSGPDQWEGVCKFZ-MDKPJZGXSA-N 429.634 4.737 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCC(C)(C)C1 1589570109 TVTRPEOPOCEZEU-PGRDOPGGSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCCCC1 1589663159 JEYNGORBYRNXEZ-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@](C)(O)c1ccccc1 1594907713 XKBAFJLIIBBAEI-FQEVSTJZSA-N 447.402 4.689 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCSC2)C1 1595844381 ALMJQXPHANUVOX-VGSWGCGISA-N 448.633 4.810 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1CCN(Cc2cccs2)CC1 1598239827 IQMJFBVGBOGRQS-UHFFFAOYSA-N 438.515 4.974 30 10 IJEE CCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1613737080 AXDDUNHRSSDOTN-QFIPXVFZSA-N 427.980 4.935 30 10 IJEE CCN(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCC(CC#N)CC1)c1ccsc1 1615372515 DNKRIJQOEDGQAK-OAQYLSRUSA-N 428.650 4.751 30 10 IJEE C=CCC[C@@H](NCC(=O)Nc1cccc(C(=O)NCC)c1)c1ccc(C(F)(F)F)cc1 1616670480 NERJSEYDVRAMTO-HXUWFJFHSA-N 433.474 4.691 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C#N 1625087548 FXCOTFKXBXREIS-UHFFFAOYSA-N 430.961 4.561 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(OCCCC)cc1)c1ccc(Br)cc1 1629157550 BCBPNGVDMGSCOA-NRFANRHFSA-N 429.358 4.844 30 10 IJEE C=CCC[C@@H](C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 1629537056 PBSIFXFOOITRBO-HSZRJFAPSA-N 436.987 4.772 30 10 IJEE C=C[C@@H](COC)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1630872253 DAEUCAYVGUHYGE-ZDUSSCGKSA-N 430.373 4.776 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 1631026199 JKMQJXYVDKPNJD-ICSRJNTNSA-N 432.561 4.823 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(Cl)cc1F 1635191712 NYBPBTCWWAIZGL-PZJWPPBQSA-N 442.918 4.804 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(c2ccccc2C#N)CC1 1641665869 ASTODMMUOOMDRS-FQEVSTJZSA-N 442.588 4.859 30 10 IJEE C=CCn1c(SCC(=O)c2c(C)noc2C)nc2scc(-c3ccccc3)c2c1=O 1643476070 BQVDSLQHDNLXBK-UHFFFAOYSA-N 437.546 4.891 30 10 IJEE C#CCNC(=O)CN(CCC)[C@H](CCc1cccs1)c1ccc(Br)cc1 1654303230 MHLUKDCEKSTARY-HXUWFJFHSA-N 433.415 4.646 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC[C@@](C#N)(c3ccccn3)C2)cs1 1654465985 KBCWLJMGVXGCPW-VWLOTQADSA-N 445.592 4.897 30 10 IJEE CCCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccc(OC)cc1 1654503053 GZLUQANMABYCRJ-KRWDZBQOSA-N 425.598 4.994 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCc3ccccc3CN3CCC(C)CC3)c2c1 1655452142 DVNWEVSYNMKPDS-UHFFFAOYSA-N 430.552 4.968 30 10 IJEE C=CCOc1ccc(CNCc2cc(Br)c(O)c(Br)c2)cc1 1658077309 IUCYPAHMFGKTRV-UHFFFAOYSA-N 427.136 4.772 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1659374241 OENMPCFJAXHJDG-UHFFFAOYSA-N 446.347 4.980 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(Cl)c(OC(F)F)c3)CC2)c1 1660139064 GGOSAMGGMNNYLQ-UHFFFAOYSA-N 434.874 4.599 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1669535992 HAFSOHSQDWSVJL-UHFFFAOYSA-N 432.451 4.516 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)c1ccccc1 1671801844 ZHJDPUNKJPZMMK-QHCPKHFHSA-N 447.560 4.990 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1)[C@H]1CCCO1 1671891043 CIOBEDHHHUDFMH-DLBZAZTESA-N 449.498 4.932 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCN1C1CCCCCC1 1672214234 HWSMINGAQRSSLW-GOSISDBHSA-N 436.394 4.933 30 10 IJEE C#CCN(C(=O)Nc1cc(F)ccc1N(C)C)[C@H]1CCOc2ccc(Br)cc21 1672898609 PDOJNYSPGCPHCD-SFHVURJKSA-N 446.320 4.645 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCC[C@H]3COC(=O)NC3CCCCC3)cc2n1 1674577360 ZZHQIVXBTOLYGT-NRFANRHFSA-N 439.560 4.668 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cc(C)ccc1OC 1676997100 WUTAHIRIAGOVCX-UHFFFAOYSA-N 435.337 4.846 30 10 IJEE Cc1cc(NC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C#N)cc1N(C)C 1678199309 HCKPTWRZRHQCPI-WDNDVIMCSA-N 436.400 4.964 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H](C)CCc1ccc(I)cc1 1680778563 HCFHZNFINPMTNG-HNNXBMFYSA-N 428.358 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1(OC)CCC1 1689830940 DXCHAIXOZTYIFD-KRWDZBQOSA-N 435.597 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](c1cccnc1)C(C)C 1689842239 WSTQSBLOETTYGY-SIKLNZKXSA-N 447.583 4.645 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1C[C@@H](C)O[C@H](C)C1 1690008312 DGEFUUUYOLDHGY-HZPDHXFCSA-N 431.367 4.528 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1CC 1690091327 POKTUCIRXWKOQG-XZOQPEGZSA-N 431.559 4.869 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCCNC(=O)OC(C)(C)C 1690259775 WHCKTGQKIQOAMO-UHFFFAOYSA-N 448.999 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 1690267285 ZBCOYOSMAPYBMR-JOCHJYFZSA-N 431.005 4.894 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CC(C)C)C1)c1ccccc1 1690325727 GMTCZUKALBUFOE-FQEVSTJZSA-N 449.624 4.855 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1690406455 GTQRZKQZFOVZTC-ICSRJNTNSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690439939 UEODTEAUFSJFKY-OALUTQOASA-N 442.585 4.595 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)C(C)C)c1ccccc1 1690441872 IDYWBZRGEXFWCT-QFIPXVFZSA-N 447.583 4.882 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1690472128 FOLXFFQHPZUMQQ-QUCCMNQESA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1ccsc1 1690473671 CWQLRDFECYHLIH-HXUWFJFHSA-N 442.610 4.718 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccccn1 1690500430 VNOZJLDAOVSKMS-GOSISDBHSA-N 437.613 4.756 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NC 1690563242 LAQKEMJQEYOHHE-UHFFFAOYSA-N 449.624 4.604 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690572287 YFIFADNBZWXZDY-WIOPSUGQSA-N 447.558 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CCc1nccc(C(F)(F)F)n1 1690588247 NWKUFKALFPJXAG-UHFFFAOYSA-N 448.880 4.828 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1c(C)noc1C 1690602385 OFARNDSKIFRCMP-LJQANCHMSA-N 442.567 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCSC(F)(F)F 1705477416 NUCAXDHEVWECOT-LSDHHAIUSA-N 442.507 4.528 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(NC(C)C)CC1 1705510104 NLDGUCWPYMMVBW-QFIPXVFZSA-N 437.632 4.805 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1705513175 DAUFQBXOMHCNDR-JXFKEZNVSA-N 443.389 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H]1CCO[C@@H](C)C1 1705606714 DENOXZKKXWKLDK-FHWLQOOXSA-N 426.630 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCOC1 1705678017 LENBTRHXAOMGAT-VGOFRKELSA-N 431.005 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1OC 1705705237 FKQDFFDZSAWLRR-RCZVLFRGSA-N 438.616 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)[C@H](C)C1 1705710603 YTBISVYQVXOENO-SMISUXHESA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2sccc2c1 1705720579 HCELVAVDAVKQJV-FPOVZHCZSA-N 426.586 4.668 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705731751 BRLWAVMNINTIIL-KNQAVFIVSA-N 426.605 4.697 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2c(C)noc2C)CC1 1705776259 BTORWAQJQDRMLF-QGZVFWFLSA-N 425.508 4.613 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(F)(F)F)cc1 1705836309 OBLROIWZLXGOSC-UHFFFAOYSA-N 440.267 4.725 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC(C)CC1 1705847052 CVOOCTFQHZOJEP-SFHVURJKSA-N 434.053 4.966 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)C(C)C 1705867744 VAGHXIHKJOORTJ-UZUQRXQVSA-N 429.559 4.687 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705947660 UAKLJJOLNSRUMW-CTNGQTDRSA-N 426.630 4.813 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1722325430 KWZGPGJIQUUQFY-BEFAXECRSA-N 429.362 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1C1CCCCC1 1722403983 LPLJNWRRMKNWHY-JOCHJYFZSA-N 426.008 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1sccc1C 1722404027 NLGSKTUZSQLXOO-UHFFFAOYSA-N 429.387 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(F)F)c1 1722501279 MSLBLBBZODTHQI-QHCPKHFHSA-N 434.531 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)C1CC1 1722504211 FWYNJULTNQXFFK-XMMPIXPASA-N 437.613 4.940 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCCCCC2)CC1 1722560652 HGXRVSGZZQQFPF-UHFFFAOYSA-N 445.405 4.949 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722597853 SXPQBCXEGGCPOX-FQEVSTJZSA-N 434.569 4.516 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCc1cccs1 1722614760 UHEGJEDPNWAQGV-UHFFFAOYSA-N 434.569 4.691 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCSC1)C1CC1 1722653508 FODHTTCFUOWXMH-HNNXBMFYSA-N 449.418 4.528 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1)C(C)C 1722665471 MNECLJIFKDSUOG-WRALFONMSA-N 446.643 4.998 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(Cl)c2C)C1 1722720934 PLCTVVYPXDROQV-LJQANCHMSA-N 428.989 4.722 30 10 IJEE N#CCCN(CC1CC1)c1nnc(C2CCCC2)n1Cc1ccc(OC(F)F)c(F)c1 1731188049 DMVYDJKQFGGYCW-UHFFFAOYSA-N 433.478 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)C1CCCCC1 1740537059 AJDGZOXVFQFBCX-FQEVSTJZSA-N 430.600 4.524 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1740583586 SQIDOAOKJNMZAY-HXUWFJFHSA-N 443.389 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@@H](c1ccsc1)N(CC)CC 1740652378 ZJAWUEWFWMJSGO-DEOSSOPVSA-N 445.636 4.861 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1740747029 WGQYLDXRLRMYHX-KRWDZBQOSA-N 447.377 4.972 30 10 IJEE C=C(Br)Cn1c(Nc2cnn(C)c2)nnc1-c1cc2c(s1)CC[C@@H](C)C2 1740749816 FQGJPTQKZMROSW-LLVKDONJSA-N 433.379 4.517 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1740771879 OEDCPSZFEOSUQJ-SIKLNZKXSA-N 438.645 4.831 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2cc(Br)ccc2C1 1740784296 QSHIAKQIFPVJKQ-UHFFFAOYSA-N 444.402 4.535 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1740789820 QWJIMODOWIDUOH-ROUUACIJSA-N 445.405 4.843 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1740800093 GRXBRVHOGVJWNQ-UHFFFAOYSA-N 447.612 4.508 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 1740834070 IGHCGKJYMGAKGH-UHFFFAOYSA-N 433.387 4.981 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(N(CC)CC)nc2)CC1 1740835490 UNIFJVJYRRGXLX-UHFFFAOYSA-N 446.599 4.646 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(C)CCCS2)CC1 1740836137 HAWADLUVPPLEFA-HSZRJFAPSA-N 428.602 4.650 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1c1cnn(C)c1 1740869391 LWJXZCAZWCNRND-IBGZPJMESA-N 426.952 4.648 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cccs1 1741000133 MIARFKHRYSKDPT-UHFFFAOYSA-N 436.610 4.748 30 10 IJEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@H](C)C1 1742068582 AMKMBWZJIIIRCY-LPHOPBHVSA-N 436.585 4.566 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(n1)CCCC2 1743912380 CQRGBOZRIASKHB-AUSIDOKSSA-N 428.584 4.880 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CCC(OC)CC1 1748654943 OINJJSASWXKQDG-QNGMFEMESA-N 448.567 4.780 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1nc(C(F)(F)F)cs1 1748665513 RREVMTMOEKERMI-CYBMUJFWSA-N 444.486 4.602 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1748734502 FKLIXMRNKNMGII-BEFAXECRSA-N 429.362 4.508 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC(CC(F)(F)F)CC1 1749044628 SUZGYQSSCVJPGE-UHFFFAOYSA-N 436.547 4.599 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC[C@H]1C 1749058881 RONJAWHGOPBJCF-ZMPRRUGASA-N 433.383 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1749060971 HDQKRRXSDPOTEK-BNIKKZEQSA-N 449.599 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749118507 GVLFBQCRFQVICN-VFSLUADLSA-N 428.577 4.854 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1CCCCO1 1749141650 FPNOYRRYJVNIMW-OAQYLSRUSA-N 425.577 4.509 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(O)(CCC)CCC)CC1 1749288368 TYNXDTBCHXWWMX-UHFFFAOYSA-N 434.588 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCCc2ccc(OC)c(OC)c2)CC1 1749331751 WSCJRSYBUQXSDL-UHFFFAOYSA-N 436.556 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749364060 LOVADENXBPAQCY-LJQANCHMSA-N 433.556 4.527 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1749366577 HIMTYXOTTYXJCA-DENIHFKCSA-N 440.588 4.788 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(C)c1 1749461033 MWZMPAQYQANSBI-FGZHOGPDSA-N 426.605 4.734 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1CC 1749528166 FSUWVOVNQKTCOS-OAQYLSRUSA-N 435.572 4.532 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)C(C)C 1749553107 NNCGUMLTERTQGH-VWLOTQADSA-N 449.624 4.942 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCN(C2CC2)CC1 1749563375 FNLQTCMHQDAQQQ-UHFFFAOYSA-N 442.007 4.660 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749620747 PAVORVBYPJAZDH-IBGZPJMESA-N 428.577 4.712 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H]2CCC[C@@H]21 1749764083 QZFDOCXRAZUWOF-MOPGFXCFSA-N 428.602 4.554 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCCS1 1760119657 CAJBOYCRPIFDDL-QUCCMNQESA-N 447.048 4.995 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H]1CCSC1 1760147315 NAJGDXOMPNWWEP-CQSZACIVSA-N 439.810 4.716 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCOCC1 1760162604 BMJWZJCUAXYWAB-SFHVURJKSA-N 430.980 4.574 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(C)C 1760242118 UCKPICJYFLRYLI-NZQKXSOJSA-N 426.580 4.707 30 10 IJEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](SC)C(C)(C)C)CC1 1760389914 WRDUFOFJBUMURE-UXHICEINSA-N 428.602 4.725 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1760393755 YGNMXBHZQCYNSK-NHCUHLMSSA-N 440.588 4.617 30 10 IJEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1760440710 OWXDUFCJOSWSKI-APWZRJJASA-N 437.371 4.633 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1760452662 QHSASFXBZCYXOQ-UHFFFAOYSA-N 437.371 4.658 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC1(N(C)C)CCCCC1 1760481190 PLELCEMZMPLYKC-UHFFFAOYSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@H]1C 1760485585 JJLXNLMTOAQVCI-WIYYLYMNSA-N 433.581 4.743 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@H](C)C1 1760568285 DVGQNQIOVUYIAO-QZTJIDSGSA-N 432.659 4.981 30 10 IJEE CCC[C@@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1763714107 DJCDDGXBTPTTGY-CJFMBICVSA-N 439.604 4.716 30 10 IJEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)C[C@@H]1C 1765515616 CCVUGJXOPWSMNR-ICSRJNTNSA-N 442.558 4.563 30 10 IJEE CN(C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 1766891612 BBFIMTKERXZORW-SHQCIBLASA-N 448.659 4.704 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC(F)(F)C2)CC1 1771538203 HPUCZHBFBNXABM-QGZVFWFLSA-N 433.478 4.562 30 10 IJEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)NC2CCCCCCCCCCC2)n1 1858761168 GBTWLFYRRYHBBB-UHFFFAOYSA-N 443.588 4.933 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)c1 1860603552 BFWVQEPLOIQTAX-UHFFFAOYSA-N 439.515 4.628 30 10 IJEE C=CCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 1861429958 QQBGHKICOHVHTP-HSZRJFAPSA-N 440.547 4.974 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCO)cc1 1862449848 UHFKAVUVDBJKER-FQEVSTJZSA-N 427.928 4.598 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Br)cc2)cc1 1862487908 LYENUQJROSCCMS-IBGZPJMESA-N 428.326 4.992 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccccc2F)cc1 1862516005 XJGBYVNNQLTTQJ-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862533992 QCWYLBHURMMXAV-DEOSSOPVSA-N 442.515 4.821 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)cc1 1862892661 ZNKVDEAVVJJVMZ-UHFFFAOYSA-N 448.526 4.864 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2Cl)C(=O)N(Cc2ccccc2F)C1=O 1863452915 YUMVSFRLNMVEKV-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(Cl)c2)=C(c2ccc(F)c(C)c2)C1=O 1863467264 JPEVJARGNLMOLC-UHFFFAOYSA-N 449.707 4.928 30 10 IJEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(-c2ccccc2C)cc1 1869928142 AYAWVVJLOGMQJS-JOCHJYFZSA-N 447.560 4.508 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(C)c(Cl)c2)c(C(C)(C)C)c1 1870145313 VYRPQEMNYRJIPB-UHFFFAOYSA-N 437.931 4.724 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN(C)Cc1ccccc1 1870780287 OEHPJJCFPXRKIL-UHFFFAOYSA-N 432.564 4.823 30 10 IJEE C=CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871388589 DVVNUBWVRJWIFN-MSXFZWOLSA-N 442.423 4.816 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccs1 1871842717 VWZXRVIKQXOGAD-QGZVFWFLSA-N 442.562 4.744 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(F)cc1 1872412198 FZTCNPYXPGFECC-JOCHJYFZSA-N 432.561 4.898 30 10 IJEE C=CCNC(=O)c1cc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc2n1CC=C 1873593516 DFZQCVKCGSQEDL-UHFFFAOYSA-N 437.547 4.740 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc(OC)c1 1874235697 WBGHCBSCTKBUBB-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SCCO 1874272102 YONRQWGQYZYTEA-NLRVBDNBSA-N 444.560 4.554 30 10 IJEE COc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1O 1874380087 WIOJSUDCHJWATM-CVKSISIWSA-N 448.523 4.897 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 1874412379 LTLDKPMSYVTDBC-BUVRLJJBSA-N 448.573 4.892 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1O 1874416681 CBWWUCCGELYNRX-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)(C)C)cc1 1874481596 DTIMEGWDWOBPAN-YDZHTSKRSA-N 426.542 4.692 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)(C)C)c1 1874483962 WYCMCLSASOWEMK-ZVHZXABRSA-N 437.569 4.506 30 10 IJEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cc(Cl)ccc1O 1874487905 KQKBRQUXSGDQNX-SSDVNMTOSA-N 445.932 4.918 30 10 IJEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1874610639 CNHMADRCLRRQPD-QDEBKDIKSA-N 449.375 4.886 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1 1875144185 IXTRKVPQQLVRNI-UKTHLTGXSA-N 447.443 4.656 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1 1879743338 LVQOJDWZRCADFO-MZNJEOGPSA-N 442.365 4.732 30 10 IJEE O=C(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H](COc2ccnc(C(F)(F)F)c2)C1 1891387986 TYLCSPZIVSFJFY-SNVBAGLBSA-N 436.327 4.588 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1922069174 OQCOWZBMTNWJCL-FGCOXFRFSA-N 440.584 4.585 30 10 IJEE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(c2cc(Br)c(C#N)cc2F)C1 1965605445 DISCSGZFWSDGAJ-CYBMUJFWSA-N 426.330 4.589 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 1981306959 VDCDAGNGGHPHKQ-VXKWHMMOSA-N 430.614 4.935 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCCC1 1994205678 FCBKXHDNPYZXML-FTJBHMTQSA-N 444.575 4.858 30 10 IJEE O=C(NC1CC1)c1c(C2CCC2)nn(-c2ccc(F)c(C(F)(F)F)n2)c1C(F)(F)F 2078940462 HBIKRFURZXYWPK-UHFFFAOYSA-N 436.331 4.604 30 10 IJEE CC[C@@H](c1ccc(C)c(F)c1F)n1nc(C2CC2)c(C=NO)c1I 2079897383 XEBNXDVWZMZNFD-ZDUSSCGKSA-N 445.251 4.759 30 10 IJEE C=C1[C@@H](O)[C@@H]2C=CC[C@@H](C)CCCc3ccc(o3)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C 2085687068 OTRBDQHTTQBOAZ-DVHFMDKUSA-N 445.603 4.976 30 10 IJEE N#Cc1c(F)cc(Br)cc1NC1CC2(C1)C[C@H]2NC(=O)OCc1ccccc1 2086054671 UQPOVWPCBSYHGG-QOSBUDKSSA-N 444.304 4.719 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2118203781 AEERCOLEIRFJNP-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C=CCC1(C(=O)N(C)[C@@H](C)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2130025274 GILMNCGEEXCXCY-ZDUSSCGKSA-N 443.407 4.843 30 10 IJEE FC(F)(F)C[C@H]1CSC(=NCc2cc(Br)ccc2Br)N1 2144377693 FDUATXPSSYTMRF-VIFPVBQESA-N 432.103 4.725 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2145545355 YGKNPJLMLILYDW-RBUKOAKNSA-N 437.422 4.975 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151267809 WBLOFZQFZOGBJS-GPOLMCQNSA-N 446.444 4.613 30 10 IJEE O=C(NC[C@@H](NCc1ccc(C(F)(F)F)cc1F)C(F)(F)F)OCc1ccccc1 2155771955 PYRVLWBHDRDNDY-MRXNPFEDSA-N 438.343 4.791 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCCC 2159121710 XWNOYRDLUAQOTN-RTBURBONSA-N 441.385 4.806 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2174566877 ZUOFUNZFEWMPIK-HNAYVOBHSA-N 436.394 4.836 30 10 IJEE CCN(c1cc(Br)c(C#N)cc1F)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2174811150 USCYEBPNAZRPSI-GUYCJALGSA-N 440.357 4.980 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2nc(CCC)[nH]c2Br)C1 2197752256 JPDKSSAKOZDTOD-MRXNPFEDSA-N 441.414 4.779 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(Br)cnc2C#N)CC12CCCCC2 2198819035 COTJAKFEADBQOH-OAHLLOKOSA-N 436.350 4.807 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C1(N(C)C(=O)OC(C)(C)C)CCC1 2235747829 TYGIBFSCBQGGNI-IBGZPJMESA-N 435.406 4.958 30 10 IJEE C=C(c1ccccc1)[C@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237391271 YNOUCZGHVUJACG-PMACEKPBSA-N 432.358 4.959 30 10 IJEE O=C(C#Cc1cccc(Br)c1)CCCCCNC(=O)OCc1ccccc1 2253248552 ANMKILMTBFYXPI-UHFFFAOYSA-N 428.326 4.857 30 10 IJEE C=CC[C@]1(COc2nc(C)ncc2Br)CCCCN1C(=O)OC(C)(C)C 2272079736 FTMHWNPIRHVJPP-LJQANCHMSA-N 426.355 4.662 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2289693974 RIAATCDYQSMVQJ-UXHICEINSA-N 435.406 4.667 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 2296218278 CINNMNRIQQHYHQ-QYZOEREBSA-N 439.369 4.516 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2296272243 JWWBORLISXMLHJ-MOPGFXCFSA-N 435.406 4.718 30 10 IJEE C=CCC1([C@H](C#Cc2ccc(Br)cc2)NCC)CN(C(=O)OC(C)(C)C)C1 2296295762 HAGDKLHDAXLEBK-IBGZPJMESA-N 433.390 4.592 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC(F)F)NC(=O)OC(C)(C)C 2296305619 WIGGETSGTYBRCN-SJORKVTESA-N 445.348 4.717 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1cncc(NC(=O)OC(C)(C)C)c1 2296311087 RUHBLZQJECXLMB-IBGZPJMESA-N 430.346 4.893 30 10 IJEE COc1cc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2ccccc2C)ccc1O 2297332830 ZBEKLAZLSRXWTC-RUZDIDTESA-N 441.483 4.892 30 10 IJEE C=CCC1(NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2302809176 BDHQLBYZKZAHFQ-RBUKOAKNSA-N 437.625 4.615 30 10 IJEE CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1cccc(C(=O)O)c1 2314547785 MKRFHHPIQBYTLD-UHFFFAOYSA-N 431.311 4.771 30 10 IJEE O=C1C(=Cc2cccnc2)SC(=NN=Cc2cc(Cl)ccc2O)N1Cc1ccco1 2314840693 AAALHUHLYKDBTJ-UHFFFAOYSA-N 438.896 4.540 30 10 IJEE O=C(COc1ccc(C=Nn2c(S)nnc2CC2CCCCC2)cc1)Nc1ccccc1 2321958529 DJSGOUGHVAEWOX-UHFFFAOYSA-N 449.580 4.589 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(NC(C)=O)c4)cc(C)c3C2=O)cc1 2322959208 PTXCGLQSYQFKPK-UHFFFAOYSA-N 443.455 4.797 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323561498 AZPMQSVCAWZQSY-OAQYLSRUSA-N 430.589 4.623 30 10 IJEE Cc1cccc(CN2CCN(Cc3c(O)ccc4c3OC(=Cc3ccccc3)C4=O)CC2)c1 2324194870 CCQHUGIIYYYKBZ-UHFFFAOYSA-N 440.543 4.635 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)s1 2324803859 MFAMNKUJGUXSFO-SFHVURJKSA-N 449.532 4.821 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)c1 2325019349 OCIFQJDQHKQIOH-QGZVFWFLSA-N 429.472 4.568 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1cc(OC)ccc1OC)C2=O 2325027731 KTBUCVNUMKHNII-UHFFFAOYSA-N 440.492 4.822 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325235149 ZRAIYZMACAYEKM-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(O)c(O)c1 2326932852 POJZZBPSTCSTKP-UHFFFAOYSA-N 426.586 4.833 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc(OC)c1O 2327300363 IGCVOIINIDMMHR-UHFFFAOYSA-N 440.569 4.881 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cccs2)o1 2330835257 MGEKJKYDTNMCQS-UHFFFAOYSA-N 432.571 4.872 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc(C)c2)cc1 2330911285 HVIJWJUAOBIOCI-OAQYLSRUSA-N 449.580 4.613 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1cccc(F)c1 2331323559 DPVBTIPUAXDVQU-UHFFFAOYSA-N 439.560 4.935 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1cccs1 2331326106 BVQHBDSCQOOFPM-UHFFFAOYSA-N 427.599 4.858 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2331546334 MDXLJBBEJSGIBX-UHFFFAOYSA-N 427.357 4.780 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c(OC)c1 2331689836 KAMRRJXOAKGAEV-UHFFFAOYSA-N 441.513 4.501 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2331835231 WTIHLAXAQYPURB-UHFFFAOYSA-N 432.900 4.812 30 10 IJEE CN(C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1)C(=O)OC(C)(C)C 2339591492 BUCFFOXWTHWAOM-LJQANCHMSA-N 444.381 4.751 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339595968 FXDGHZZFPZXPDX-RTBURBONSA-N 444.381 4.751 30 10 IJEE CC1(C)OB(c2sncc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)OC1(C)C 2362573787 OYYZNLFTTCRNTC-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2362710414 UDQGPOUEIQWTFD-PMACEKPBSA-N 435.406 4.667 30 10 IJEE C=C(C)COc1ccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 9696887 HPEXILQIKOHODK-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE C=CCOc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1OC 31892945 IABKADVQESLZCJ-LJQANCHMSA-N 432.923 4.619 30 10 IJEE CCCCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCOC)c1 35443380 VAJWKHQYXHQOLF-LAUMOQQDSA-N 449.547 4.880 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4ccc(F)cc4)CC3)C2=O)c1 41585602 MUAWZXFPQHIPNI-XYGWBWBKSA-N 444.506 4.778 30 10 IJEE CCN/C(=N\Cc1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 59490548 LRVNZTJAECQOMH-KRWDZBQOSA-N 436.364 4.524 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccc3O)n2)cc1 59830310 BLQMXGWNDDLXBI-XMWJKPIOSA-N 438.557 4.591 30 10 IJEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)sc1C 103092016 STGDWCHDFZZSSI-VZCCSQPZSA-N 426.444 4.664 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 103228932 HDDXGUBFYVPAFJ-LCPUNJGISA-N 434.517 4.703 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(F)cc1 169940647 VLZRCQFBZBVALF-NRFANRHFSA-N 448.406 4.525 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2cccs2)cc1 169982265 QBBFWDUSRJDEEO-OAQYLSRUSA-N 434.517 4.606 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 170063627 UMIZWKPOOWPAGB-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2)cc1C 170064904 TWURGLWZAYEITP-JOCHJYFZSA-N 425.500 4.836 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccc(O)cc3)ccc2O1 170131442 JEPLCEBWTWREIH-FATZIPQQSA-N 445.446 4.638 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)c(OC)c1 170131973 PUWGSCAZQYRKRB-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)cc1OC 170133403 GOPNAYYKQQZTQP-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 170134675 PKPDUDRKWNXLLY-XMMPIXPASA-N 436.467 4.719 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1cccc(C)c1 170148246 QMGMLMHUTVAVRO-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccs2)cc1C(C)(C)C 170154534 GIIFVYVPJHQDRX-FQEVSTJZSA-N 443.565 4.669 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 170174710 CNRWPDUFDSEXIQ-QFIPXVFZSA-N 426.428 4.619 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccnc2)cc1 170184519 ZWSZEIHGFJWTOK-NRFANRHFSA-N 436.414 4.541 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)c1 170225496 LVASNMRQLNKIIO-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)c(C)c1 170228115 PYOAJCUAWZJSCO-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1C 170241267 IWMWWNCZIKKDCU-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1c[nH]c2ccccc12 170255968 GTOABDIOHIVDCZ-HSZRJFAPSA-N 448.519 4.954 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1C 170271245 SXABBSHPWWXGDJ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OCC(C)C)c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273418 GCZNDIYOHHWBJZ-URXFXBBRSA-N 449.547 4.787 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)c1 170283537 MUJUORTZCDEWPW-HXUWFJFHSA-N 439.851 4.820 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2sccc2C)c(C)c1 170317098 CACPXXGVGGDVRD-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE N#CC1CCC(CNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CC1 441143716 IHXYUSFRTBDHEH-UHFFFAOYSA-N 438.368 4.629 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 460944017 CKNZHGUQBHFAIB-QFIPXVFZSA-N 448.567 4.812 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 508879373 FBGGWORUMMHCJI-INIZCTEOSA-N 439.585 4.551 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 508929553 IBYYSAFYHCMQJC-SFHVURJKSA-N 448.502 4.914 30 10 IJEE C=CCN(C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)c1nc(C(=O)OCC)cs1 523104334 KCIYBBBTLWVDRF-CYBMUJFWSA-N 426.460 4.736 30 10 IJEE CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 527311782 DLWKJYRDJDMSNE-UHFFFAOYSA-N 448.283 4.585 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)c1cc(Br)ccc1F 698378390 KDCICHGFUNLHHO-FQEVSTJZSA-N 442.373 4.906 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cnn(-c2cccc(Br)c2)c1 735349237 GRAICYGJRMSEBL-UHFFFAOYSA-N 446.688 4.548 30 10 IJEE C=CCCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 790578445 ABGBXRQTWDOGHE-UHFFFAOYSA-N 446.878 4.856 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 806220422 COZGZDXBIPUMAF-DEOSSOPVSA-N 425.532 4.648 30 10 IJEE C=CCN(C(=O)Cc1ccc(C)nc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 807964355 FNURROXZCNKZIE-UHFFFAOYSA-N 428.901 4.837 30 10 IJEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 1084052556 QOQHHFAAJUGKSU-VWLOTQADSA-N 428.492 4.670 30 10 IJEE N#CC1(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)CCCCCC1 1087800035 QQHAQPBHAPMSPR-UHFFFAOYSA-N 449.555 4.898 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1124199616 WIMUWLZNJCDACW-UHFFFAOYSA-N 430.595 4.782 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1c(C)nsc1C)c1ccc2c(c1)OCCO2 1124367888 JXQTVFSZASRHJU-UHFFFAOYSA-N 436.533 4.943 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccccc1 1127300442 CNEWIOVFUOZPHK-QGZVFWFLSA-N 436.249 4.637 30 10 IJEE C#CC[C@]1(C(=O)OCc2cc(Br)ccc2C)CCCN1C(=O)OC(C)(C)C 1127382792 OQXFOPNXYOJVRO-OAQYLSRUSA-N 436.346 4.594 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc(CC(C)(C)C)cs2)nnc1-c1ccco1 1127526155 XXXXAGHIZGVSQQ-UHFFFAOYSA-N 431.587 4.890 30 10 IJEE C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1128369261 DTTDHNAJNQQNGU-JTQLQIEISA-N 429.192 4.625 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1 1129722303 KUDCSFCXFXMXTK-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3nc(C(C)C)ncc3OCc3ccccc3)cc2n1 1134291306 PXGASOSTJMWZTC-UHFFFAOYSA-N 427.508 4.967 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 1135342201 AAQPIBOHVIMLQM-PKHIPVCBSA-N 444.572 4.521 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1 1142282188 VVRMGHBCXGMHAR-SFHVURJKSA-N 437.968 4.668 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)cc1 1150718882 FIJCHDCZIGYESN-QFIPXVFZSA-N 447.000 4.856 30 10 IJEE CC(C)Cn1ccc2c(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)cccc21 1156560431 FQVCOUFDDGWVND-XMMPIXPASA-N 434.971 4.973 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 1158524775 MPDRVOKCYMSSRW-GOSISDBHSA-N 430.957 4.512 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CSc1nc3c(cc1C#N)CCCC3)C2 1188563701 BEUYSJZALUKGEF-IBGZPJMESA-N 443.613 4.730 30 10 IJEE N#CCCn1cc(CNCc2cc3cc(Br)ccc3o2)c(-c2ccncc2)n1 1203510911 DGLGMVOOFOHFOY-UHFFFAOYSA-N 436.313 4.657 30 10 IJEE Cc1cc(CNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)cc(NC(=O)OC(C)(C)C)c1 1205941535 ALPHRCWYPOFTIR-UHFFFAOYSA-N 437.544 4.910 30 10 IJEE CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1206776967 APYKCUWBOUCXNL-XQQFMLRXSA-N 428.348 4.911 30 10 IJEE C#CCN(C1CCCCC1)S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 1208857098 VEPXRVZTPIPPSD-UHFFFAOYSA-N 428.501 4.786 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cnc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CCCC1(C)C 1216317599 GVKHLJRQHSZURE-FQEVSTJZSA-N 428.577 4.973 30 10 IJEE C=CCn1cc2ccc(NC(=O)Nc3cc(OC)c(Br)c(OC)c3)cc2n1 1220157238 CHCYDBOXGMIIDM-UHFFFAOYSA-N 431.290 4.646 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 1223905980 PMMBDGZWOIZQOJ-CKEIUWERSA-N 433.350 4.994 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl)C(C)(C)C 1279621940 RXLYRZWGAIWRSO-UHFFFAOYSA-N 438.952 4.731 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCCCCC1 1286277192 XDOZSMODTIMBIQ-HXUWFJFHSA-N 445.611 4.896 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(Cl)s1 1286283130 VBUCBMXKDHNFJY-SNVBAGLBSA-N 441.807 4.990 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CCCC1 1286293341 NWWBEVLDXUTMOL-UXHICEINSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)c1ncc(C)s1 1286422269 XMKQYPKRAAXVCQ-KRWDZBQOSA-N 429.549 4.723 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1nc(C(C)(C)C)cs1 1286440278 SLOMQPUDDWFIKK-UHFFFAOYSA-N 430.581 4.755 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(CC)C1CCCC1 1286568123 XSJHXVHVRMYYOA-SQJMNOBHSA-N 438.616 4.822 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCn2ccnc2C1 1286681314 LPYBKOBBGBQMDE-SFHVURJKSA-N 439.995 4.635 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@](C)(OC)CC1 1286685228 QFBUOWOLWZLIFA-XMMPIXPASA-N 428.577 4.714 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1286686706 JPRYXOPMGFZBCD-UHFFFAOYSA-N 427.568 4.766 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)C1CC1 1286825989 SRMDIVDUGMDLHI-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C2CCCC2)CC1 1286826860 VVTKVVULIOKCCZ-UHFFFAOYSA-N 439.673 4.881 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1286837139 UEKSTWIMYKINDS-RBBKRZOGSA-N 447.693 4.530 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CCN(C)C(C)C 1289274982 FNPUUHPJTDZOSA-APWZRJJASA-N 447.027 4.624 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)s1 1290294568 FFBAHMQJNBPOOE-INIZCTEOSA-N 438.601 4.780 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)C1 1300477915 SYWJGMBAXGVIDU-QGZVFWFLSA-N 444.984 4.520 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCCS1 1300635533 PUSCMSPEKPYNKZ-HXUWFJFHSA-N 447.048 4.997 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCO[C@@H]1CCCC[C@@H]1C 1300650095 SHTFGGVYDUNDDC-NZQKXSOJSA-N 426.580 4.851 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)[C@@H](C)C1 1300740724 BVGWYCZUUFSHLH-CALCHBBNSA-N 437.638 4.836 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCC(F)(F)C1 1300786566 GYPBJOIFCMAZGQ-DRSNIGMVSA-N 432.490 4.985 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1300829456 DFUZOYISIFATTE-CJNGLKHVSA-N 426.362 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCN(CCC)C1 1300905514 ABTBBXISHQBXAW-GOSISDBHSA-N 432.012 4.741 30 10 IJEE C=C(C)COCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cccc(Cl)c1 1301001251 FTUMSNMCEQJUGB-UHFFFAOYSA-N 426.952 4.931 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cn(CCCCC)nc2C)CC1 1301120542 VLSDUBSGBDNBPV-QFIPXVFZSA-N 426.609 4.666 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccc(C(F)(F)F)n2)CC1 1301127517 OIJQAXUYKSOQSK-UHFFFAOYSA-N 445.464 4.873 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN(C(C)C)C2)CC1 1301127895 XJFVZOVLJBFELM-FQEVSTJZSA-N 443.586 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCOC1 1301160052 LCLKRDAEPMPJON-MRXNPFEDSA-N 439.387 4.991 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OC2CCCC2)CC1 1301209255 POJJJQCHTYAXBD-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CCN1CCCC(C)(C)C1 1301348525 CFFRRSRAEZLKRR-UHFFFAOYSA-N 444.627 4.579 30 10 IJEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2CCCCO2)CC(C)(C)O1 1303970869 CDSJXOZIELBDRS-NRFANRHFSA-N 437.588 4.560 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)n2)c1 1306966770 CWVCPPSXWWPFHB-IBGZPJMESA-N 439.441 4.846 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)c1 1310004639 UAYXZATVCUJXGW-NRFANRHFSA-N 435.524 4.502 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2C(=O)OC(C)(C)C)cc1 1310196759 VQKSUHCDHRIZQH-UHFFFAOYSA-N 449.551 4.778 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC 1310572734 CHIMWNHXODYBBP-GOSISDBHSA-N 429.314 4.839 30 10 IJEE C#C[C@H](NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1F 1310785548 FUNMJFDAEXWTOI-KRWDZBQOSA-N 447.695 4.923 30 10 IJEE C=CCC1(CNC(=O)N[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 1312366846 NVJHNZAOBZUFFA-CTNGQTDRSA-N 435.971 4.965 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)c2ccc(F)cc2)c(C(=O)OCC)c1C 1349734718 UPAXKXBOJSIXIA-INIZCTEOSA-N 433.501 4.847 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(I)c(F)cc2F)c(OC)c1 1353763009 PLGSLZPCIBCPIK-UHFFFAOYSA-N 430.188 4.526 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)c1 1358019364 XEEUQKXSYAQQRB-HSZRJFAPSA-N 434.948 4.910 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nc(C)c(C)s1 1358897062 SEXZWXALJNZBCD-KRWDZBQOSA-N 437.613 4.868 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN(C)CCCC)CC1 1358921715 HGBCPEXDZAPYKC-UHFFFAOYSA-N 428.024 4.960 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCCc1nc(C)cs1 1358989041 NGJWKCIEOOIWTG-UHFFFAOYSA-N 438.000 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1359073663 ZSECLKNISIZZFR-YMVVMYQSSA-N 436.600 4.527 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1c(F)cccc1F 1359096357 AFEFRAYZYFLISD-HRAATJIYSA-N 427.499 4.559 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1CC(F)(F)C1 1359102531 CEJYKGJZWUBCHG-FYYLOGMGSA-N 444.570 4.916 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359115192 OBMWIBIPWFVTAQ-UHFFFAOYSA-N 447.612 4.579 30 10 IJEE C=C(Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1359140641 IEQIQNRGTROGHB-GJZUVCINSA-N 436.600 4.825 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOC[C@H]2CCCO2)CC1 1359176196 OZSQEPOCYVWZCD-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359191515 CJBOMDIKRSSTDF-RBUKOAKNSA-N 429.584 4.517 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2c(ccnc2O)C1 1359199914 LXBFPCNCAPTXHK-UHFFFAOYSA-N 439.947 4.627 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359206732 NSZNNHKELZFSPL-ZGXWSNOMSA-N 429.609 4.941 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359223594 QCPDNMVXPAJKKO-HALDLXJZSA-N 437.407 4.597 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)cn1 1359673512 DWOYTSBPPLEDTQ-IBGZPJMESA-N 447.612 4.510 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN2CCCC2)C1 1359729635 DYFSGJLVUPYZPY-QHCPKHFHSA-N 434.632 4.811 30 10 IJEE C#CCN(C(=O)c1ccccc1OCC1CC1)[C@@H]1CCOc2ccc(Br)cc21 1360556908 HNUPMBZMAPRFLV-HXUWFJFHSA-N 440.337 4.837 30 10 IJEE CN(C(=O)COc1cccc(Br)c1C#N)c1nc2c(Cl)cccc2s1 1436147571 CZKBWXJYMCZJRD-UHFFFAOYSA-N 436.718 4.626 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 1446738028 ZBXXHNPISPICMW-CJNGLKHVSA-N 434.886 4.789 30 10 IJEE Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1448824312 DLDXUNSRSZVMMC-DEOSSOPVSA-N 430.939 4.733 30 10 IJEE C=CCCC[C@H](C(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1452992335 BDTRCXGWUXXFHK-PMACEKPBSA-N 430.470 4.763 30 10 IJEE C#CC[C@]1(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)CCCN1C(=O)OC(C)(C)C 1459752102 COFHQVPDEKQYCO-OAQYLSRUSA-N 439.339 4.512 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCc3cccc(NC(=O)OC(C)(C)C)c32)cc1C 1459986129 AUKGHHSOVJFTNF-UHFFFAOYSA-N 448.567 4.960 30 10 IJEE CC(C)(CC#N)CS(=O)(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 1462723165 GNLBTSAMJLIQOW-IBGZPJMESA-N 429.973 4.812 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 1463922230 SWOIABHDEOTDOG-NFBKMPQASA-N 432.520 4.945 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)N(CCC#N)Cc2ccco2)s1 1464553365 BLALOXMWGJKKJH-UHFFFAOYSA-N 446.326 4.730 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1465006638 BAOYNWWVJHCMSK-XMSQKQJNSA-N 433.618 4.896 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H](O)c3c(Cl)cccc3Cl)cc2)nc1 1465431411 HNMVSQYSDNEXOQ-SFHVURJKSA-N 443.290 4.907 30 10 IJEE CC[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN1Cc1ccccc1 1465431419 HSBZLRDTUMNSQL-QHCPKHFHSA-N 441.535 4.874 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1470076282 NANJMDULSVNQQP-QUCCMNQESA-N 446.378 4.975 30 10 IJEE C=C(C)CN(CC)S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 1474786429 VOLZOFXVWFTVFQ-UHFFFAOYSA-N 428.323 4.967 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(Cl)cc(Br)c1OC 1476109287 BSKYSPGQHZVLBG-UHFFFAOYSA-N 425.710 4.998 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@](C)(Cc2ccccc2)c2ccccc2)c(C#N)cn1CC 1476762400 HAUNXQJZCCPAOW-AREMUKBSSA-N 444.535 4.836 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC(C)(C)C1 1507525127 YZLLOZDELBMBPR-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(OC(C)(C)C)nc1 1507525539 CDWHQPOZFNUJQC-HNNXBMFYSA-N 441.938 4.816 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 1507534418 XVIFQNOKEQYDKR-QHGAOEGBSA-N 443.636 4.848 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1507822236 YZTCTYGMHUSJCD-SFTDATJTSA-N 437.588 4.507 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1507827013 OHKNSJCSTDNDNK-IBGZPJMESA-N 439.541 4.677 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC(C)C)C(C)C 1507865673 GVMSEGQURPFSSY-UHFFFAOYSA-N 442.995 4.859 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](CC)C1 1507947317 BNTQURBMHFWRPF-RTBURBONSA-N 449.665 4.691 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCC1 1507967173 CQCPUQSJXXCBNM-IBGZPJMESA-N 432.012 4.796 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(F)cn1)C1CC1 1507990188 HZEDWYFZQCYWLQ-UHFFFAOYSA-N 446.299 4.584 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCN1CCC[C@H]1C 1507995918 DYJSPMLXRWMBJA-HXUWFJFHSA-N 425.621 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOC 1507999121 JDRAXDPAOAXCJC-UHFFFAOYSA-N 447.608 4.986 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC=CCC1 1508038838 WQVMCMGVCSGILA-KRWDZBQOSA-N 431.378 4.703 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1nc(C)cs1 1512923942 CCKDZOYMIANUNB-INIZCTEOSA-N 436.585 4.524 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 1525054473 NNXWVRLWVFQHMA-NRFANRHFSA-N 433.305 4.806 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(Br)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1525127812 XDPAASMJAITSHC-IBGZPJMESA-N 442.737 4.801 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(CC=C)c3ccccc3Cl)c2)C1 1529815435 KWWXBXNORMILNS-GOSISDBHSA-N 444.984 4.760 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C(F)(F)F)cc1 1532570405 QKNGKJLABKKLJW-SFHVURJKSA-N 430.348 4.609 30 10 IJEE C#C[C@H](NC(=O)c1csc(N(C)c2ccccc2)n1)c1ccc(Br)cc1 1535483309 IFPWRUABCNXYJG-KRWDZBQOSA-N 426.339 4.778 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)cc1 1537417121 YHOYWLYBLLHKAS-WOJBJXKFSA-N 427.522 4.719 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 1538215405 TWGHSPOMHCMHSG-QKWZMAAQSA-N 438.955 4.616 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC1=CCCCC1 1539301221 NCJKQMUHIIDVBW-UHFFFAOYSA-N 441.348 4.810 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc2cnccc2c1 1539593081 RWWCZHPAOSFEKB-UHFFFAOYSA-N 449.356 4.742 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1539607233 APNSKLDVPWOFGW-WBVHZDCISA-N 433.394 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H](C)CC 1539621650 SBCAAWUGKIIMIL-LEDOBFOHSA-N 434.588 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(Cl)cc1F 1539651491 HJGJHAXLFHTERL-JOCHJYFZSA-N 436.959 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(CCC)CC1 1539651741 JUSIBSFNHZURIS-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1SCCc2ccccc21 1539676129 JJSZUJGLAMPXBC-JOCHJYFZSA-N 436.629 4.573 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539774878 GEGZLFLGROLQCJ-HOTGVXAUSA-N 447.370 4.551 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1539779531 AIURLXZRDXHERJ-WMLDXEAASA-N 434.968 4.738 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](CC(C)C)N(C)C)CC1 1539855890 LQRNZGDHGHFCAC-JOCHJYFZSA-N 425.621 4.607 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1539875440 ROJDPAKXIXQYCZ-IQGLISFBSA-N 434.588 4.535 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1OCCC1(C)C 1540188009 ZJZOWBWBODVYGQ-JOCHJYFZSA-N 438.547 4.651 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1540854502 LUZBGFJSDKJISF-NVXWUHKLSA-N 426.362 4.615 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1540922439 ODRXXHYDWCHXCS-WOJBJXKFSA-N 444.670 4.661 30 10 IJEE Cc1c(Cl)cccc1N1CCCN(C(=O)c2ccc(Br)cc2C#N)CC1 1544572854 ATNGHZQHBFELIV-UHFFFAOYSA-N 432.749 4.635 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2c(C)nn(CCCC)c2C)[nH]n1)c1ccc(Cl)cc1F 1556559691 NLIUJTUPIRVLJI-GOSISDBHSA-N 427.911 4.587 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1556781997 UCERGJDVBVCSHL-FGSXEWAUSA-N 449.389 4.713 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@H](c2cccs2)C2CC2)cc1 1559696530 AKZOVSOETOXCCY-HSZRJFAPSA-N 434.565 4.715 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(OCc2cscn2)c1)c1ccc(Br)cc1 1562313700 CSEBDIILONHEOY-LJQANCHMSA-N 442.338 4.981 30 10 IJEE CC(=O)N(Cc1ccc(NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cc1)C(C)C 1562369153 OTQITLBCYRWJAH-FQEVSTJZSA-N 432.446 4.740 30 10 IJEE Cc1cc(Br)c(Cl)cc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1563044233 BGHPFVQMXMLSJV-GOSISDBHSA-N 434.721 4.888 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(N[C@H](C)c2cc(Cl)ccc2Cl)c(C)c1)C(=O)OC 1570221887 ZTRXCBIUGHSBRW-JLTOFOAXSA-N 433.335 4.770 30 10 IJEE C#CCC1(NC(=O)c2ccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)cc2)CCCCC1 1585161530 HGMNSQSPFAWOOD-UHFFFAOYSA-N 447.457 4.524 30 10 IJEE C#CCN(C(=O)c1nn(-c2ccccc2)cc1Br)[C@@H]1CCCc2ccccc21 1585189256 NORHEDGHFUGFBJ-OAQYLSRUSA-N 434.337 4.788 30 10 IJEE C#CCOc1cccc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1585978399 FBUSBLVMOZLAQM-UHFFFAOYSA-N 440.499 4.566 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccs2)CC1 1587807644 HGCVEUOOWGYJRJ-NRFANRHFSA-N 449.624 4.836 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1OCC 1588099389 LYQDEGQTOCBCOT-LJQANCHMSA-N 444.604 4.651 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1589427259 FVTWGFXFABLBML-CVEARBPZSA-N 436.423 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)CCc1ccc(Br)cc1 1589484945 WKGXWGWIGTYECX-QUCCMNQESA-N 447.421 4.824 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H](C)c1ccco1 1593718351 VHMANOMTPJJLHD-MRXNPFEDSA-N 430.936 4.990 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCCN2CC)CC1 1594194495 WIDRGWWDRZXWJU-PZJWPPBQSA-N 441.595 4.834 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCC(NC(C)=O)CC1 1594582234 OCXHYJHADQMWFM-UHFFFAOYSA-N 435.572 4.931 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1594687637 VJTCFGVCINLKPL-GOSISDBHSA-N 431.968 4.668 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1594760855 RSTZKJCHBZREHV-QFIPXVFZSA-N 434.588 4.787 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br 1597192088 ZCSBIILMWPMDDF-QGZVFWFLSA-N 428.305 4.691 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)cc1 1597753339 FMDIVVLKZXBGEK-UHFFFAOYSA-N 444.329 4.640 30 10 IJEE C=CCn1c(Sc2cc(C#N)c(Br)cn2)nnc1-c1cccc(Cl)c1 1612165223 QWGMNQHDDXZNJD-UHFFFAOYSA-N 432.734 4.965 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1613122879 FCPACHZYMCRHCC-AOMKIAJQSA-N 448.036 4.761 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccccc4F)nc3)n[nH]2)c1C 1618439685 PYLSASPWJTXWAP-UHFFFAOYSA-N 432.459 4.655 30 10 IJEE C=CC[C@@H](NCc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(=O)OCC 1621309740 TYNIVATZVHXSRS-OAQYLSRUSA-N 425.529 4.693 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(Br)ccc(OC)c1F)c1ccccc1 1621946047 IIVKRRNQRIBQHC-OAHLLOKOSA-N 428.323 4.583 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CC1 1623083456 KBBDZTPDRFOBLY-CTYIDZIISA-N 431.323 4.954 30 10 IJEE C=CCC[C@@H](NC(=O)CN1CC[C@H](c2ccccc2)NC1=O)c1ccc(C(F)(F)F)cc1 1631195423 SOBJQNMBETWAJJ-NHCUHLMSSA-N 445.485 4.986 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCCC[C@H]3c3cccc(C)c3)ccc2c1=O 1634073613 GHDXZTDIXVOQBL-QFIPXVFZSA-N 433.577 4.937 30 10 IJEE C=CCC1(O)CN(C(=O)c2cc(-c3cccs3)n(-c3cc(Cl)cc(Cl)c3)n2)C1 1638018795 JRVKKGWMFRPRGI-UHFFFAOYSA-N 434.348 4.671 30 10 IJEE C=CC[C@@H](NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12)C(=O)OCC 1638326503 RVIJIMAYGKKQJE-MRXNPFEDSA-N 441.578 4.697 30 10 IJEE C#CCCN(CCOC)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1642186972 SCWVZKZFIUJEST-UHFFFAOYSA-N 434.323 4.749 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCCC(C)C)nc2sc(-c3ccccc3)cc2c1=O 1643604767 RXIVXZHYRMOERV-INIZCTEOSA-N 441.622 4.954 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(c2ccc(C#N)cc2)CC1 1644193765 DUOILWHINBVBDQ-FQEVSTJZSA-N 442.588 4.859 30 10 IJEE C=CCN(C(=O)CN1CC[C@H](CF)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1644311815 OAKYMPUSFSJFOM-CYBMUJFWSA-N 428.360 4.927 30 10 IJEE C=CCN(C(=O)CN1CC[C@@H](CF)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1644311817 OAKYMPUSFSJFOM-ZDUSSCGKSA-N 428.360 4.927 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1649538381 CNRZXLFSVSZGPI-JTHBVZDNSA-N 432.572 4.614 30 10 IJEE C=CCn1c(SC2CCN(C(C)=O)CC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1651535940 HFTOSGUASNDBCL-UHFFFAOYSA-N 439.606 4.722 30 10 IJEE C=CCn1c(SCC(C)(C)CN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1 1651551460 NPVWOCOGHZMLJR-UHFFFAOYSA-N 432.549 4.546 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC2(CCOCC2)[C@H]1c1ccccc1 1653894972 HASYSSHECBMJIS-NTKDMRAZSA-N 435.593 4.873 30 10 IJEE C=CCn1c(SCc2ccc(OCC)cn2)nnc1-c1ccc(Br)cc1 1656079176 FFCYHBHUOMAKFO-UHFFFAOYSA-N 431.359 4.980 30 10 IJEE CCOc1cc(CNc2n[nH]c(C)c2C#N)cc(Br)c1OCc1ccccc1 1656386726 GZJUUICSZUXUOS-UHFFFAOYSA-N 441.329 4.942 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc3c2CN(C)C3=O)cc1OCC 1656429715 JCAZQEYILPJTDT-UHFFFAOYSA-N 431.330 4.610 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cc(COC(C)(C)C)on2)cc1OC 1657196712 DTPCCJFUEYPNQD-UHFFFAOYSA-N 439.350 4.615 30 10 IJEE C=CCN(Cc1cccs1)Cc1cc(C)cc(Br)c1OCC(=O)OCC 1658701521 LLSQLTCNPJBAPD-UHFFFAOYSA-N 438.387 4.949 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCc3cc(OC)c(OC)c(OC)c3CC2)cc1OC 1659045821 VBDQLYMSDILOCE-UHFFFAOYSA-N 447.959 4.540 30 10 IJEE C#CCN(CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)[C@@H]1CCCc2ccccc21 1660323282 CKNQUCCHHFGTIJ-JOCHJYFZSA-N 443.469 4.615 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 1661525938 DSMSMNDGPUCWSX-UHFFFAOYSA-N 446.798 4.507 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cccc(OCC)c1OC(F)F 1661909611 OQEZZQGDOOFUOE-UHFFFAOYSA-N 440.284 4.751 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCc2nc(C(C)C)ncc2C1 1662577266 LMWMAAXGCPDRJD-UHFFFAOYSA-N 431.334 4.518 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1665223941 WKLJVHYNELPLCB-UHFFFAOYSA-N 429.586 4.621 30 10 IJEE C=C(Cl)C[C@H](NCc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)C(=O)OCC 1665450174 MKQKEMJPHNKJRF-IBGZPJMESA-N 435.977 4.608 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(I)cc1C)c1ccc(Cl)cc1F 1666309471 YWMXXSHIICAWSV-HNNXBMFYSA-N 442.659 4.888 30 10 IJEE C#CCOc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1668939393 YOFFPTIYWLTJOY-QFIPXVFZSA-N 431.561 4.681 30 10 IJEE COc1cccc(CC2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)c1 1670745260 AFPFJGOMXIOPSF-UHFFFAOYSA-N 433.430 4.952 30 10 IJEE Cc1cc(C)cc([C@@H](O)CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1671797476 BLMSRVJWSAABOG-NRFANRHFSA-N 431.540 4.513 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)cc1C#N 1675656516 CVUJYFRIVGJACQ-CQSZACIVSA-N 437.475 4.510 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 1678356569 ZNNIZXCFAVXQGU-PMACEKPBSA-N 433.346 4.894 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N(Cc3ccccc3F)C3CCCCC3)C2=O)cc1 1681300364 GMJUSFRKTLQYBQ-XMMPIXPASA-N 448.542 4.737 30 10 IJEE C#CCC1(O)CCN(C(=O)NCc2cc(Cl)ccc2Oc2ccc(C)c(C)c2)CC1 1683733914 MNJFNUPAFFPKSV-UHFFFAOYSA-N 426.944 4.809 30 10 IJEE C=CCC[C@@H](NC(=O)NCCNC(=O)OCc1ccccc1)c1ccc(C(F)(F)F)cc1 1685794788 ZZZXYVZNJRWBRI-HXUWFJFHSA-N 449.473 4.938 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(OCCOCC)CC1)c1ccc(C(F)(F)F)cc1 1685817373 MWZXIJFZBXGBFU-FQEVSTJZSA-N 428.495 4.940 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(O)CCCC1(C)C 1689831565 MXPMKHDWZDCRLN-UZTOHYMASA-N 445.611 4.752 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC1CC1 1689906926 WBEGWDIRMPLTEO-FQEVSTJZSA-N 429.609 4.780 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1ccc(OC2CCCC2)nc1 1690088386 JZZSLYJWOAJJBN-UHFFFAOYSA-N 447.558 4.945 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690095454 QYEUKCVFFDQETK-AEFFLSMTSA-N 440.897 4.978 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H](C)c1ccco1 1690156481 XKIOLPDPXBKJEN-IRXDYDNUSA-N 428.533 4.714 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCc2ccc(Cl)nc2C1 1690168027 UJFZFQJVSYYMNB-UHFFFAOYSA-N 444.391 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)OC 1690258470 HHWICNFJDLTQTH-ZDUSSCGKSA-N 427.774 4.798 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(C(C)(C)C)no2)CC1 1690384115 FCSRKPQXOSVRIM-UYAOXDASSA-N 427.593 4.687 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1690465521 DMXHJCKPLDLWBZ-DEOSSOPVSA-N 440.595 4.951 30 10 IJEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCSC2(CCCCC2)C1 1690509809 JOCLANSFQSEPBI-UHFFFAOYSA-N 444.620 4.857 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1Br 1690598933 GIPHYRXQLMGUME-UHFFFAOYSA-N 444.402 4.623 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1Cc1nnc(C(C)(C)C)s1 1690601190 SRXGQZWPFIFNAP-UHFFFAOYSA-N 447.612 4.657 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC(F)(F)C1 1690997309 IAFIJPBRJZPMDI-VXGBXAGGSA-N 444.349 4.800 30 10 IJEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1692728064 BTYNBOCLHYTOSF-SBUREZEXSA-N 444.986 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cccc(C(F)(F)F)n1 1705482680 DYAWYTIQZDTURL-CQSZACIVSA-N 425.414 4.611 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705515451 DUODAXYPBIOHQF-AZUAARDMSA-N 427.618 4.726 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCCOC 1705607893 VYQUTMHPBFBFNT-UHFFFAOYSA-N 439.785 4.637 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](OCC)C1 1705654879 WJXFXLQBMZLVJM-HKUYNNGSSA-N 444.670 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)CCCC1 1705710544 OOBGEAYSIUBKBM-UHFFFAOYSA-N 429.996 4.844 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](CC(C)C)N(C)C)CC1 1705763199 QMBLEWJPQUIKAG-UXHICEINSA-N 429.584 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705765628 VGQUFDSEFKYSSW-LJQANCHMSA-N 429.012 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1705792349 RCDMFLADPKMZMO-UHFFFAOYSA-N 441.620 4.769 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@@H]1C 1705817195 FBWUBENGVKXKDZ-SLFFLAALSA-N 431.625 4.984 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705831078 FURUKBMXPLDBCN-NRFANRHFSA-N 430.543 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1C[C@@H](C)O[C@H](C)C1 1705857621 YIWRNNOAKPTJIU-WOJBJXKFSA-N 447.583 4.745 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H]1CCO[C@H](C)C1 1705863239 LOLXZYQIAFWXED-DHIUTWEWSA-N 448.615 4.538 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1705943444 AZYOXUCSXNURRQ-SFHVURJKSA-N 438.519 4.671 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC)C2CCCC2)cn1 1710024859 GUEXGRCJYGWUFE-UHFFFAOYSA-N 443.599 4.875 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC2(C)CC2)cc1Br 1711732042 FBPIQDVSZTYAQV-CQSZACIVSA-N 432.366 4.502 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CCSC 1722523136 CISYSGIRHWVVKW-KRWDZBQOSA-N 437.654 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1722592247 SZUWKHICELZHSD-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1722594815 RCPJGKZEAZLHBY-RBUKOAKNSA-N 442.489 4.874 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722619369 AFAUVHHRBFLMBW-UHFFFAOYSA-N 448.615 4.862 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1727682599 DFXMCERQVFLFFZ-SXWKCWPCSA-N 434.632 4.952 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1728292910 COFIPXQZKFZJOK-UHFFFAOYSA-N 432.475 4.523 30 10 IJEE COC1(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cccc(C#N)c2)CCC(C)CC1 1729945592 CRDAIUYLXPWPCD-UHFFFAOYSA-N 444.583 4.752 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CC)C1 1740711874 WFSOTJBPIGGCHA-MRXNPFEDSA-N 433.419 4.700 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C)s1 1740756341 PBPZQEVNEXHJCP-FXAWDEMLSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1740760850 LCPFWSUIKXOOOD-DYESRHJHSA-N 430.980 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1740761670 PFDOUEFTJWWBRC-NFBKMPQASA-N 440.588 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1740762290 SJCADKRQMXQXFD-OPYAIIAOSA-N 448.970 4.582 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2nccs2)CC1 1740822369 LQRBYTLOIHFKQO-UHFFFAOYSA-N 435.931 4.740 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2scnc2C)CC1 1740836854 UCUGRBAJYXVGNY-UHFFFAOYSA-N 445.539 4.957 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCCOC)C1 1740847925 YBFVPEZPEJXKQC-LJQANCHMSA-N 437.588 4.661 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)O[C@H](C)C1 1740860206 XGJRWHSHMNHJAZ-IYBDPMFKSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@]1(C)CCCO1 1740924541 VUGWHOCUFSXNKA-DEOSSOPVSA-N 438.597 4.989 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1740929751 GZUJQJPTAJVPBK-NZQKXSOJSA-N 448.640 4.972 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1N(C)CCCC1(C)C 1740934187 UZKGCHAIZHZNJA-HSZRJFAPSA-N 437.632 4.773 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)C1 1747482889 HYEYEFKPCRXGSX-OZROYSPXSA-N 439.629 4.742 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1748722015 RXXKCMZBYYWYSR-JOCHJYFZSA-N 436.531 4.892 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1748724464 SWGDTACSJZLHJD-QHCPKHFHSA-N 436.600 4.530 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1748738460 DNTCCLJKKTYOEF-JOCHJYFZSA-N 442.991 4.566 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@](C)(CC)O1 1748917605 FVYWBJODDDKMSM-LVXARBLLSA-N 448.567 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(CCOC)CC(C)C 1749127912 PUVKJFDCODAQPR-CVDCTZTESA-N 437.588 4.516 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1749215803 GCJICUFSQCDJOM-GASCZTMLSA-N 439.423 4.844 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1749367183 RKMHIJVYQKTWJP-ADAUERFCSA-N 444.645 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cnccc1OC 1749564092 PSXPDYORTGIWPM-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)N2CCCC2)C1 1749692776 AKCHIMNFHVXEJA-DHIUTWEWSA-N 437.632 4.502 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(C)(C)C 1751258073 DHHUOMMCAJZZLX-LPHOPBHVSA-N 431.968 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(F)(F)F 1760103234 BEDPEVJEUNLLOV-ZDUSSCGKSA-N 429.284 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCn2cc(C)nc21 1760338317 ILRGNEFCVXMGIG-SFHVURJKSA-N 440.542 4.632 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760386038 IINDYBOKFKFHFL-HRAATJIYSA-N 433.394 4.661 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760433004 XZOUDXDWKGEDQZ-HKUYNNGSSA-N 444.649 4.528 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760446691 ZXCJHAJSWJFNBU-QHCPKHFHSA-N 432.996 4.833 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCCC2(CCOCC2)C1 1760448511 FNVFPPNYCFGDIK-UHFFFAOYSA-N 430.980 4.588 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cscn1 1761372854 BULVORCASSKQSQ-MRXNPFEDSA-N 434.594 4.850 30 10 IJEE CCOc1ccc(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1 1860451050 YMXAELKFGZPDFC-UHFFFAOYSA-N 449.894 4.880 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)COc4ccccc4)cc3)CC2)c1 1860705822 JMPBTSDSKPNPKD-UHFFFAOYSA-N 440.499 4.562 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(N(C)C)cc1 1861824932 PVYKSGBCYFDIRF-DEOSSOPVSA-N 441.591 4.710 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862380370 AUZMZFRNTYWUGA-IBGZPJMESA-N 431.319 4.800 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(F)c2)cc1C 1862402370 XMQISZIYAZVEBO-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(N(C)C)cc1 1862526634 IUSSLXJHQAQSHK-IBGZPJMESA-N 443.341 4.503 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OCC)c(OC)c1 1862554152 WRJIVVDBKNQVJH-DEOSSOPVSA-N 447.531 4.737 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2Cl)cc1 1862618780 YDYHGASEWYMCPP-FQEVSTJZSA-N 427.928 4.598 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675755 SRQRJPXAGKODAL-QFIPXVFZSA-N 437.417 4.925 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1 1862693635 PUEOXZUIPYRZIA-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862760713 UTCZTGQTWQYUJR-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE CC(C)Oc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(C#N)cc2)C1=O 1862925868 JUCIFSXWNSZYLC-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 1866946452 PEKQHBBEPXPPJW-MGPUTAFESA-N 442.357 4.738 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1 1868724481 JREYAGIIPXFEBB-RPWUZVMVSA-N 440.534 4.972 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2)cc1 1870145124 UBDKVDPWGOFHGY-UHFFFAOYSA-N 447.539 4.896 30 10 IJEE COc1ccccc1CCC(=O)Nc1c(C#N)nnn1-c1cc(C(C)C)cc(C(C)C)c1 1870147066 VQLMFUKBDOTOTB-UHFFFAOYSA-N 431.540 4.966 30 10 IJEE CCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(Cl)cc1 1870350004 LVFWSLHUBBYBCO-UHFFFAOYSA-N 435.955 4.842 30 10 IJEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(Br)cc2C)cc1=O 1870816167 WDMMBRBFIKRPHC-UHFFFAOYSA-N 449.389 4.649 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(CCOc1ccccc1)CO2 1871346402 DORJXIITALTPGQ-UCQKPKSFSA-N 431.463 4.981 30 10 IJEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 1871428687 ONDOHJVWJSHDIR-MOSHPQCFSA-N 448.874 4.752 30 10 IJEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759499 QMDUYIYRGNWAOO-MRXNPFEDSA-N 442.294 4.900 30 10 IJEE CC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872765427 OPXPFSMYBMQKSS-KRWDZBQOSA-N 441.306 4.988 30 10 IJEE CCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873034139 SFMKJYKJISROOB-QHCPKHFHSA-N 449.595 4.686 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCCC)=C(c2ccccc2Br)C1=O 1873253845 PZCNEOGTHIPQEN-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE N#Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NCCc2ccccc2)CCCC3)c1 1873457117 KSRLHTWSRLTPBK-UHFFFAOYSA-N 429.545 4.723 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCCCN(CC)CC)ncnc21 1873625922 DIWUMLFZXAOQGZ-UHFFFAOYSA-N 434.588 4.630 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCCO)n2/N=C/c2ccccc2Cl)cc1 1874254170 SMSYDBWLIHNBEA-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCCCO)nnc2-c2cccs2)cc1OCC 1874424218 AGHKYAZAOSJCBL-PXLXIMEGSA-N 446.598 4.551 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)cc1O 1874439411 ZOUNEZYXRJCMAZ-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@@H]3CCCO3)n2/N=C/c2c[nH]c3ccccc23)cc1 1874444623 HJDGUBMHUASRQS-AFEQLLIESA-N 448.508 4.694 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2[C@@H]2CCCO2)cc1 1874447433 BUXVOJUMXXUWNK-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(F)cc1 1874482812 PBAMVNCHRBMLDH-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2F)cc1 1874489281 JWQSQOIKZLFKJD-AFUMVMLFSA-N 439.560 4.791 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(F)c2)c1C 1874510710 WUJMMMBZUOOVFX-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2/N=C/c2cc(Cl)ccc2O)cc1 1874518570 ZQPJYEOJXCBSPR-UFFVCSGVSA-N 429.889 4.597 30 10 IJEE Clc1ccc(CSc2nnc(C3CC3)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874520589 PPJGQZVUNKMNPI-FSJBWODESA-N 426.929 4.755 30 10 IJEE CCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(C(C)C)cc1 1874527528 SLSPPMBVIALJER-ZMOGYAJESA-N 432.553 4.787 30 10 IJEE Cc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)c(C)c1 1874707345 AMPYCUQCFYADEQ-VQHVLOKHSA-N 430.456 4.913 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccccc1OC 1874707679 QSNCBGRZFWVPEZ-JXMROGBWSA-N 432.428 4.548 30 10 IJEE O=C1CCC(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(Oc4ccccc4)cc3)c2)=NN1 1874712803 RNRMYXPHTVFYOX-OQLLNIDSSA-N 440.455 4.546 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)c3cccnc3-c3nc4ccccc4s3)CC2)cc1 1891231939 AFYSORWWKFSBJU-UHFFFAOYSA-N 440.528 4.914 30 10 IJEE C[C@@H](C(=O)N1CCC(COc2nccnc2C#N)CC1)c1ccc(-c2ccccc2)c(F)c1 1891545603 MTMSKWWQHRQVAK-GOSISDBHSA-N 444.510 4.575 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]2C[C@H]21 1907794648 WWHHHJZJCDAXTO-TUVUNVSASA-N 431.508 4.859 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3ccc(Br)cc3Cl)C2)OC1(C)C 1965478963 BOBODLBYLIACHP-GFCCVEGCSA-N 428.563 4.801 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2032399624 FRDQOQPDSMIXDE-IBGZPJMESA-N 445.560 4.976 30 10 IJEE CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2060624807 CIKAHQGQOVEONZ-UHFFFAOYSA-N 434.317 4.527 30 10 IJEE CCc1nn([C@@H](c2ccc(OC)cc2C)C(C)(C)C)c(I)c1C#N 2079844206 KYFMRSFAEQMRLE-KRWDZBQOSA-N 437.325 4.874 30 10 IJEE COc1ccc(Br)c(Cn2nc(C3CCCC3)c(C#N)c2Br)c1 2080299837 AHDNBLQYQWOBMH-UHFFFAOYSA-N 439.151 4.994 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)C(C)(C)C1 2107453113 GQPVGJUCBZQVLE-MRXNPFEDSA-N 426.330 4.907 30 10 IJEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)c(C#N)cc1F 2118198094 CECYOOSVBHFUAS-CHWSQXEVSA-N 426.330 4.589 30 10 IJEE CCCCCC#CC[C@@H](NN)c1ccc(Br)cc1I 2142288223 JHNHMFQOYCGZAL-OAHLLOKOSA-N 435.147 4.532 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2ncc(Br)cc2C#N)(C(C)(C)C)C1 2162291654 OUGSFHJMMIUUDV-HXUWFJFHSA-N 437.382 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@H]2CCCC[C@@H]21 2174813940 BMTHQDDENYNRLS-GJZGRUSLSA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cc(Br)ccc1C#N)C1CCCC1 2181056150 QEQZXEBHIXDYQC-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1cccc(Br)c1C#N 2226200554 DCGXIDNNFDRXBA-LBPRGKRZSA-N 430.293 4.767 30 10 IJEE CN(Cc1ccc([C@H](N)C#Cc2ccccc2Br)cc1)C(=O)OC(C)(C)C 2235745507 CXUQACNWYWIXHS-HXUWFJFHSA-N 429.358 4.868 30 10 IJEE C#CC[C@@H](C)C[C@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428210 JYKWJJMOIKUOPG-UXPWSPDFSA-N 437.422 4.913 30 10 IJEE CCc1ccc(C#C[C@H](O)c2cc(Br)ccc2I)cc1 2239675246 JUHFDPXMOYVZBM-KRWDZBQOSA-N 441.106 4.701 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267556091 CHCUTHTWBGOJMT-IYARVYRRSA-N 444.381 4.565 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)c(O[C@@H]3CCN(Cc4ccccc4)C3)c2)OC1(C)C 2272104001 NDOUBGUJWRRMLK-LJQANCHMSA-N 447.306 4.658 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C12CC(C)(CN1C(=O)OC(C)(C)C)C2 2296215967 GDYMNMMLVRRFDQ-XTWGIRIWSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](N)C#Cc1cccc(Br)c1)C1CCCCC1 2296219770 RGNYQYJYAXLXRE-VQTJNVASSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@@H](O)C#Cc2cccc(Br)c2)CC1 2296221834 MEZZEPUOBDFHJF-QLOJAFMTSA-N 436.390 4.883 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCC1 2296227900 UEDBERXTNSXDSD-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CCCC[C@H]1NC(=O)OC(C)(C)C 2296288738 KCJIWZIHTSYGJW-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C12CC(CN1C(=O)OC(C)(C)C)C2 2296299580 WTTLNJHWLGTJJB-OZWAEMERSA-N 433.390 4.568 30 10 IJEE O=C1C(=CNCc2ccccc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 2297375507 YLIVEOACUSEJPO-UHFFFAOYSA-N 438.936 4.504 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccccc3F)ccc2O1 2297745039 STAWKSGLCMVKCJ-FYSMJZIKSA-N 443.474 4.771 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2301453548 XTQIYVPTEFEKJQ-VWLAKCEESA-N 449.360 4.596 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)c1 2314474307 DIXBXSZACKQURB-OAQYLSRUSA-N 432.501 4.724 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1c(F)cccc1Cl 2320969083 DZJBBQIWTSYDIC-UHFFFAOYSA-N 431.924 4.554 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccccc2F)cc1OCC 2321981666 DWBSABQOGPIEKW-UHFFFAOYSA-N 428.533 4.757 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CN(CCCCCO)CO1 2322095555 MJUZDCWYQWTHFI-UHFFFAOYSA-N 434.319 4.924 30 10 IJEE CCOc1c(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cccc1OC 2322183793 SEDCMKGTCGMXAA-UHFFFAOYSA-N 426.586 4.615 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(C)ccc1OC 2322638444 YNKGSQYSZYQEKF-UHFFFAOYSA-N 447.325 4.994 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1F 2322708617 POASDNZUVQRXPN-UHFFFAOYSA-N 443.858 4.672 30 10 IJEE CCCOC(=O)COc1c(OC)ccc(C=CC(=O)c2ccccc2)c1Br 2323127129 HEQROUBOLDGOLS-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)NC1CCCCC1 2323985606 KEXMKKGQHATJSZ-UHFFFAOYSA-N 425.500 4.867 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Br)c1OCCO 2324645711 GFJIURHRJNWJPT-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(OC)c(OC)cc1OC 2325544186 CWMDHGOSRFGVCN-UHFFFAOYSA-N 444.532 4.570 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1sccc1C 2325922913 WOCSCMVQYLJMKR-SFHVURJKSA-N 439.610 4.548 30 10 IJEE N#Cc1ccc(CSc2nncn2N=Cc2ccc(OCc3ccccc3)cc2)cc1 2326660467 MWZMHAPXMOKIGR-UHFFFAOYSA-N 425.517 4.903 30 10 IJEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccncc2)c1 2329171899 YDTMNIGSCAYMOD-UHFFFAOYSA-N 433.512 4.608 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)c1 2330531738 ZRYRZWCXXSWIOJ-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cncc(C)c1 2330731488 RGWORZOOUXFFGX-UHFFFAOYSA-N 447.487 4.921 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2[C@H]2CCCO2)c1 2330893031 HJAPBSJFWAVMJI-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE Cn1cccc1C=Nn1c(SCc2c(Cl)cccc2Cl)nnc1[C@H]1CCCO1 2330975692 PZJHJCOCAYFWPO-QGZVFWFLSA-N 436.368 4.949 30 10 IJEE Cc1ccccc1C=Nn1c(SCc2nc(O)c3ccccc3n2)nnc1C1CCC1 2331537675 HCIMCHHHCIJLFB-UHFFFAOYSA-N 430.537 4.677 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1cccc(Cl)c1)Nc1ccccc1F 2331723893 LDAFKMPDMWJFTG-UHFFFAOYSA-N 429.908 4.561 30 10 IJEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2331802464 VSUPNAUQYUMABZ-UHFFFAOYSA-N 440.536 4.766 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)C#Cc1cccs1 2338392778 KFFJVWAHAAWPDY-QGZVFWFLSA-N 434.355 4.567 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339593750 KIKIEISRYAKRJI-CEXWTWQISA-N 442.365 4.503 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342468852 FWLVVNHUPIBQBT-HSZRJFAPSA-N 448.344 4.871 30 10 IJEE C=CCC1(NC(=O)c2csc(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2343478033 FBTPSVRTPFYEDN-UHFFFAOYSA-N 443.407 4.895 30 10 IJEE Cc1cc(CN(C)[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369736703 CUIPMXONAWDJFJ-VWLOTQADSA-N 448.460 4.779 30 10 IJEE C#CCOc1ccc(NCc2ccc(I)c(Br)c2)cc1 2377311211 SIOXRYFQTOTFDI-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccc(C(=O)O)cc3)nn21 9856515 VBMAJFQUKUOABT-OAQYLSRUSA-N 446.532 4.599 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2)Nc2ccc(F)c(Cl)c2)c1C 32973399 XJKPIOWKACZJDK-UHFFFAOYSA-N 441.938 4.753 30 10 IJEE CCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4F)nn32)cc1 54641608 BYBLCDXSSVXGJI-NRFANRHFSA-N 438.528 4.986 30 10 IJEE Oc1ccc(Cl)cc1/C=N/Nc1nnc(SCc2cccc(Br)c2)[nH]1 59018516 YLMZKMCOLKVXRA-UFWORHAWSA-N 438.738 4.665 30 10 IJEE Cc1c(Cc2ccccc2)sc(/N=C/c2cc(Br)ccc2O)c1C(N)=O 59472712 RPOQAQCNSSBARU-FOKLQQMPSA-N 429.339 4.965 30 10 IJEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CCCOc3ccc(Cl)cc3)C2=O)cc1 96546667 ALQRWLQILJDHPR-HSZRJFAPSA-N 428.916 4.531 30 10 IJEE COc1cc(/C=C/C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)ccc1OCC#N 105745552 FJLYJXSNCYPKSE-ACCUITESSA-N 444.535 4.792 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(OC(C)C)c(Br)c2)C(C(C)=O)=C1C 169930020 HQSXMCCZYVNRKX-SFHVURJKSA-N 425.392 4.741 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccnc2)cc1 170012078 YMWFKRVCDRMTCT-QHCPKHFHSA-N 430.479 4.604 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccncc2)cc1 170016746 PHGRFIASSOIWNZ-DEOSSOPVSA-N 440.499 4.923 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(C)c2)cc1C(C)C 170143329 QHUIYYKMINHBQN-YKSBVNFPSA-N 449.547 4.884 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170169774 HDGWWNBJNWYKME-QHCPKHFHSA-N 428.463 4.882 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)c1 170185642 JWGJSWUOEGRSPQ-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)cc1C 170203505 RLWHGPDVOLUYLC-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2)cc1C 170228619 DNDFXJUSEXAHEZ-XMMPIXPASA-N 438.483 4.967 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1 170241076 ONOKZVFRYPPTHR-NRFANRHFSA-N 435.451 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170241698 HWWXMWFLXGLLGM-XMMPIXPASA-N 442.490 4.878 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2C)ccc1OC(C)C 170273798 MCXCVWLMEYCZCW-RDPSFJRHSA-N 449.547 4.848 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)o1 170307341 YTAURXYYFPTXQQ-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccccc1)c1ccncc1 170371519 JSMZSEYKNSBLMD-XMMPIXPASA-N 439.515 4.855 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)cc1 170426363 KMFNJMDAQYDATL-SFHVURJKSA-N 435.398 4.719 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(Cl)cc2C)ccc1O 170465087 VGKUHCFZDLLOJI-FQEVSTJZSA-N 429.900 4.878 30 10 IJEE CN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)SC1=Nc1ccc(Cl)cc1 252624831 PWDOXRGNRNKNJR-OAYSZFDTSA-N 425.897 4.613 30 10 IJEE C=CCNC(=S)NN=Cc1cccc(OCCCOc2ccc(C(C)(C)C)cc2)c1 254555936 SSXPSDKXVRPBPB-UHFFFAOYSA-N 425.598 4.816 30 10 IJEE N#C[C@H](c1cccc(I)c1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 309999918 DMJDOFSKUNTKRI-IEBWSBKVSA-N 446.288 4.557 30 10 IJEE C[C@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2)c1ccc(-c2cccc(C#N)c2)cc1 435113353 JPQUWHYYEYDTJQ-CVEARBPZSA-N 444.560 4.622 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1 439238523 QNZOHEPBNCZBCD-MRXNPFEDSA-N 446.511 4.683 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 460787937 FMEUNQVELQJSPX-QFIPXVFZSA-N 446.551 4.588 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(O)c(C)c(-c2ccccc2)n1 467200513 FZSMNQYZEXAFLB-KRWDZBQOSA-N 448.548 4.594 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@H](C#N)c1ccc(OCc3ccccc3)cc1)CC2 475599929 CKXCQWPUGGGDSI-GBXCKJPGSA-N 428.536 4.598 30 10 IJEE C=C(C)Cn1c(S[C@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccncc1 489417765 ZRJRUJHALKIWAH-MRXNPFEDSA-N 437.594 4.536 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](CN4CCCCCC4)C3)s2)cc1 489537668 MLEWPXMODZCSQO-OAQYLSRUSA-N 437.613 4.725 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(O)c(OC)cc5[C@@H]4C)[C@H]3C[C@H]12 504113607 KWBZASDHYSHVQB-GQYSPYKFSA-N 425.569 4.634 30 10 IJEE biogenic C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 508905981 CCHWFNDGJSZOIE-HXOBKFHXSA-N 431.515 4.642 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)c1OC 526520143 FZSSSFXXLIVHRZ-QFIPXVFZSA-N 430.435 4.772 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 526602858 BMLQEGDJTDOFIW-QHCPKHFHSA-N 441.443 4.922 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4cccc(Cl)c4)no3)CC2)c(F)c1 553540869 YJRIBGZCSZAKAX-UHFFFAOYSA-N 425.847 4.689 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 586000751 CEIUEUDYFUPTDI-QHCPKHFHSA-N 437.559 4.627 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Br)ccc1OCC 609081254 SGXFJUIZXWWROR-UHFFFAOYSA-N 434.290 4.976 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCc2cn3ccccc3n2)c1 609453494 AHDKZCHKXLFYKZ-RUZDIDTESA-N 440.503 4.827 30 10 IJEE COc1c([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)c(C)nn1C 698480648 AEMWMXRMFXVTHS-HNNXBMFYSA-N 435.322 4.506 30 10 IJEE Cc1cc(Nc2ccc(Br)c(I)c2)c(C#N)cc1N 721126949 AMGRRNLFJDWIFS-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(C3CCC3)C2=O)cc1 730461569 PVDOUHMBPDLQJR-HXUWFJFHSA-N 439.512 4.541 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 730489007 HAFNZKJLQZOOSB-RBDMOPTHSA-N 441.531 4.648 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 750691567 NHXONFSOZUFXQD-SBUREZEXSA-N 441.553 4.642 30 10 IJEE C#CCNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1ccc(CCC)cc1 759049425 HBZHIFPUTYFMAJ-UHFFFAOYSA-O 443.592 4.940 30 10 IJEE C[C@H]1CCc2c(sc3nc(CCC(=O)[C@H](C#N)c4nccc5ccccc45)nc(O)c23)C1 792104954 SJYYPAYWZISUKE-KSSFIOAISA-N 442.544 4.879 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2ccc(C)cc2)CC1 802600823 UQKBHCUSSFZPDW-DQEYMECFSA-N 443.595 4.734 30 10 IJEE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNc2ccc(Br)cc2)c1C 1084531824 CTAZXUHHTYEJJX-UHFFFAOYSA-N 444.289 4.614 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N(Cc3cccc(F)c3)C3CCCC3)CC2=O)cc1Cl 1124867309 CZIKPRNDQCUKOT-SFHVURJKSA-N 439.918 4.675 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)c1 1125778227 IAYNGBUZIRCMEY-UHFFFAOYSA-N 426.472 4.504 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(Br)cc3c2OCCO3)C(F)(F)F)cc1 1128968225 HJBNAWGBGHMHSN-QGZVFWFLSA-N 441.199 4.662 30 10 IJEE C#Cc1cccc(CNC(=O)C[C@H](C)CCc2ccc(I)cc2)c1 1129715406 URXPLFNBFFSGNB-MRXNPFEDSA-N 431.317 4.548 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 1136957060 KHDLRBBIDWAFML-PKOBYXMFSA-N 435.996 4.675 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1cccc(Cl)c1F 1138685770 LXZBYZRLZJMYFA-HNNXBMFYSA-N 433.351 4.909 30 10 IJEE Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)N(C2CC2)[C@H](C)C#N)c1 1146375231 BPWRBILNHUFEGG-QGZVFWFLSA-N 439.581 4.610 30 10 IJEE C=C(CCC(=O)OC)C(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1147337569 QYWOAYGDVNUSGP-GFCCVEGCSA-N 437.359 4.568 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 1150675272 VAHSOORFVDIWHG-GOSISDBHSA-N 426.479 4.840 30 10 IJEE C#Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2O3)cc1 1181919125 YQOYTPVYEXFZBH-QFIPXVFZSA-N 446.547 4.691 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)C(F)F)n(-c2ccc(F)cc2)c1C 1194550834 BRGZJOSBPVGEEX-NRFANRHFSA-N 426.442 4.639 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1 1199059354 QGXCCJZQUGBQGI-RPWUZVMVSA-N 433.552 4.621 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)CCCC1 1199589180 QNZUKXOLOXDQLS-UHFFFAOYSA-N 430.556 4.841 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1)c1ccc(Cl)cc1F 1200679380 WYZNEMQDTIGBSJ-IBGZPJMESA-N 437.924 4.517 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1)c1ccc(Cl)cc1F 1200679381 WYZNEMQDTIGBSJ-LJQANCHMSA-N 437.924 4.517 30 10 IJEE C[C@@H](CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(Br)c1 1204572221 HHSJHESBTYGXCL-INIZCTEOSA-N 426.358 4.775 30 10 IJEE CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@H](CO)c1cccc(Cl)c1Cl 1217645798 GPLKVFRPQWJDPR-OAHLLOKOSA-N 443.128 4.825 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCC1(c2ccc(OC)c(OC)c2)CCCCC1 1227781214 ZEFJUVLSQXADJM-UHFFFAOYSA-N 438.568 4.970 30 10 IJEE C=CCCC1(CNC(=O)N(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)CCCC1 1230917917 HPEKHIMQJQININ-UHFFFAOYSA-N 442.648 4.839 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(Br)cc3c2OCCO3)c1 1264920235 SXKLGJCNBSUEIJ-UHFFFAOYSA-N 438.277 4.642 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1C1CCCCC1 1286301345 KPAAFALIZCRLEO-ISKFKSNPSA-N 449.643 4.729 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCC(C)CC1 1286315705 GDKYUKLGPBBNED-UHFFFAOYSA-N 432.410 4.865 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286327323 IZTJBNIYYJWXOF-GHTZIAJQSA-N 435.374 4.832 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1Cc1cccs1 1286505562 FALJHWYHWKIARH-OAQYLSRUSA-N 436.650 4.817 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1C(C)C 1286541045 VXZFTUZVQYGDDY-KRWDZBQOSA-N 425.321 4.681 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1286650092 XGCPNYZCEGWDNV-CVDCTZTESA-N 442.579 4.994 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 1286677740 IVXMDFUJTDCPAB-FYYLOGMGSA-N 447.583 4.559 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1CCC(OC)CC1 1286744422 HBRFRUQPSFJEDQ-ZOGYUUGASA-N 428.552 4.667 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CC[C@H](F)C2)C1 1286805261 PLIYJGBAJRDSJU-YESZJQIVSA-N 449.368 4.627 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C2CC2)C1 1286825083 GHYCCDYFFNBZSI-QGZVFWFLSA-N 433.419 4.863 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(COCc4ccco4)c3)n[nH]2)c1C 1291671797 HWWHLXQWKSQIFW-UHFFFAOYSA-N 431.496 4.638 30 10 IJEE C=CC[C@@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccncc1 1293576156 CYIQQMGWEIRVHO-NHCUHLMSSA-N 435.524 4.697 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 1296939646 NMRLKDJSHSVXMM-ZDUSSCGKSA-N 440.821 4.741 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)C1 1297397403 BSCIMLSCZMQHSM-AZUAARDMSA-N 429.515 4.505 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1300843409 AXZMGGPTEGXXCK-PKOBYXMFSA-N 438.373 4.940 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1301165891 MDKAQFRPXFCTEZ-JOCHJYFZSA-N 437.632 4.531 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301194348 JGYDUVWXXYWMPY-UHFFFAOYSA-N 429.559 4.972 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301225744 KDZBPUMYPNETFX-NRFANRHFSA-N 440.485 4.504 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301433071 JIXNOLGVEPKVDP-GOEBONIOSA-N 444.885 4.642 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301594371 AZUCNNMXKAYMCW-ZWKOTPCHSA-N 437.654 4.547 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCOc1cccc(C(F)(F)F)c1 1308210346 KYENIYZKKMTIPO-UHFFFAOYSA-N 428.248 4.649 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)cc1 1309063459 KMTXSPSYAVZKIQ-OYRHEFFESA-N 426.626 4.762 30 10 IJEE Cc1cc(S(=O)(=O)NCC2(c3ccccc3Br)CCCCC2)ccc1C#N 1309511901 BNHOPLPRNLZBEH-UHFFFAOYSA-N 447.398 4.810 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCc2c1ccc(F)c2Br)C(C)C 1311387749 HSZXBVLBWQOFAG-RBUKOAKNSA-N 438.385 4.573 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C 1312961339 XVJRUVBCIZHWBR-UHFFFAOYSA-N 427.545 4.587 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@@H]2CC)cc1OC 1314163564 CCGUOQIBPOEHFC-WSTZPKSXSA-N 425.577 4.917 30 10 IJEE C=CCc1ccc(OC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)c(OC)c1 1351409623 YXLURKXKNMEIBW-CAPFRKAQSA-N 444.516 4.742 30 10 IJEE C#Cc1ccc(C(=O)N(Cc2ccc(Br)cc2)c2ccc(F)cc2F)nc1 1356117550 JOFSQIFDGRDABE-UHFFFAOYSA-N 427.248 4.951 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCC(C)CC1 1358876250 GDWKLTMXXIHMAT-IBGZPJMESA-N 445.558 4.517 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)CCC(C)C 1358973616 YGZJVIINJHCRBF-QFIPXVFZSA-N 433.383 4.512 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC=CCC1 1359049703 UYDJHTDOEDKZBC-SFHVURJKSA-N 431.005 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1nccs1 1359090557 CQKUDYTXLYJYPA-ONTIZHBOSA-N 437.613 4.894 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](CC(C)C)C1 1359144245 CFTACMQTGXQZSW-MRXNPFEDSA-N 434.968 4.596 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)c2nccs2)CC1 1359160376 SJTXEOMTDDFMAF-IAGOWNOFSA-N 427.549 4.974 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359343516 VGRGYFCTWBRVMD-UHFFFAOYSA-N 442.673 4.668 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3cnc(OCc4ccccc4)cn3)c2)s1 1360877542 GQDMDALVDCAFDZ-UHFFFAOYSA-N 426.501 4.586 30 10 IJEE C#CCN(C(=O)c1cc(C)c(OC)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1435176014 QBCIHYUPOSMGQL-LJQANCHMSA-N 428.326 4.674 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CCOCC1 1437869624 DHHAIQYFESHWQK-GOSISDBHSA-N 430.913 4.558 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN3Cc3ccc(Cl)cc3)s2)cc1 1457501450 CFGPOBIRJQMZQN-NRFANRHFSA-N 436.968 4.862 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2ccc(Br)c(OC(C)C)c2)cc1C#N 1458153717 ACOLBIIPFMDYGQ-UHFFFAOYSA-N 446.301 4.929 30 10 IJEE COc1cc(CN2CCOC[C@@H]2c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1 1460109903 FCJPWBSNEJXNIH-XMMPIXPASA-N 432.495 4.858 30 10 IJEE C#C[C@@H](NC(=O)C(F)(F)c1ccc(Br)cc1)c1ccc(Br)cc1 1460784023 HSUYSSHYZALOMG-OAHLLOKOSA-N 443.085 4.794 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1462589678 HTNHNALBQZYWOW-FQEVSTJZSA-N 446.897 4.774 30 10 IJEE CO[C@H](CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1)C1CCCC1 1463106711 ARCHQYBMRMLGKJ-JOCHJYFZSA-N 432.973 4.753 30 10 IJEE N#Cc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)ccc1C(F)(F)F 1463550497 DAXXWOKHSLXGFT-SBHAEUEKSA-N 434.483 4.924 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)c1ccccc1 1465873491 ZETJHJFRRFWTIS-FQEVSTJZSA-N 432.528 4.767 30 10 IJEE C#CCOc1ccccc1NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 1466979184 PWPOVDAMLLNQQD-HXUWFJFHSA-N 434.536 4.896 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1468088856 OEWAUAOOVSGFST-OAQYLSRUSA-N 439.556 4.659 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1468949881 DDZGWYLCEUCBNO-UHFFFAOYSA-N 442.585 4.779 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 1470489667 PDWXVCUXAGDGDS-UKILVPOCSA-N 444.579 4.759 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cc(F)ccc1OC 1472934972 UIBPYZARSQFIKE-UHFFFAOYSA-N 447.919 4.819 30 10 IJEE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN2CC(F)(F)C(F)(F)C2)cs1 1474574388 ALVRVEGLICPVTI-UHFFFAOYSA-N 441.372 4.933 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)(F)F)C1 1493680571 DEXLNAZIFOIGFI-KRWDZBQOSA-N 448.537 4.716 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1cccnc1)C(C)C 1507528785 NRMODZAONVHTSH-KNQAVFIVSA-N 426.568 4.730 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507660414 SVXODJPBOAVKTC-LJQANCHMSA-N 435.572 4.650 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCCCC1 1507681721 ACNBNTDDYHFVRR-UHFFFAOYSA-N 439.673 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507764277 LGTJAHCDJXWNDL-VQBGDGMRSA-N 440.563 4.753 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@](C)(O)c1ccccc1Cl 1507769942 DMTAMMNXBHNRGG-RPWUZVMVSA-N 426.992 4.564 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CCCC2)CC1 1507827053 PWKWULMYOXJXSR-UHFFFAOYSA-N 444.421 4.657 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1507887390 CQGNBCYLMYHZOY-QHCPKHFHSA-N 437.632 4.651 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSCC(C)C)CC1 1507897369 ILUWHNNQCLNAID-UHFFFAOYSA-N 438.439 4.827 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC=CO2)CC1 1507909419 FFFJRENRPIVINV-IBGZPJMESA-N 426.586 4.674 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1507931542 BOTXVKGLWCOBCP-OAQYLSRUSA-N 425.483 4.553 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1csc(C)c1 1508001367 OZEJIFBUXWJPDN-DEOSSOPVSA-N 438.597 4.541 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)OC 1508004479 FVNJTUDBIPYTBK-UHFFFAOYSA-N 429.927 4.750 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccc(F)cc1 1508019842 HXJWBHMHDRLZEF-STZQEDGTSA-N 442.579 4.982 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(N(C)C)CCC[C@H](C)C2)C1 1508111364 DWOIRTQUMOIXRK-HXAGEGRHSA-N 437.632 4.545 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1508164026 XWLKNPLZCKFUBB-UHFFFAOYSA-N 436.025 4.514 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(OC)ccc2OCCCC)CCCN1C(=O)OC(C)(C)C 1514586198 MCKQKEJKTJBKDS-XMMPIXPASA-N 430.545 4.606 30 10 IJEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCC(C)C)cc1Br 1518163495 CXGZPSZXOSOFNS-UHFFFAOYSA-N 446.393 4.892 30 10 IJEE C=CCN(C(=O)CCc1ccccc1Br)[C@H](Cc1ccccc1)C(=O)OCC 1522165369 HENBLNHJYLHJFJ-OAQYLSRUSA-N 444.369 4.571 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)ccc1OC(F)(F)F 1524180151 BAZAPLOEXRVNQK-GOSISDBHSA-N 447.413 4.587 30 10 IJEE CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 1529715591 DDTQDZNMFZADMR-UHFFFAOYSA-N 446.937 4.508 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(I)cc1F 1530533543 FOGROEACZWVLCN-UHFFFAOYSA-N 435.689 4.974 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)cc1OC 1533062277 BANMNIGIKMMHDI-CLFYSBASSA-N 440.565 4.587 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 1537129178 HFEPOMSOOQYOMH-UHFFFAOYSA-N 437.443 4.969 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 1537849307 TUQIPJHCSOLHIQ-APPDUMDISA-N 447.347 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)NC(C)(C)C 1538971453 BBJBZQVBUPBCBK-AWEZNQCLSA-N 444.004 4.576 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCCCC[C@@H]21 1539519551 KNSPWXPHYNSBSJ-UTKZUKDTSA-N 430.568 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1F 1539634890 DHWZWNBRWALDFD-JXQFQVJHSA-N 435.547 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCCCCC1 1539641168 LFHHFOKZRLGGNU-XXBNENTESA-N 428.552 4.748 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@@H](C)CC 1539647875 YYLLFVDTBMBYLL-XZOYJPPVSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)SC 1540132971 BTFUWLSDHGLLDD-UHFFFAOYSA-N 446.624 4.851 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCCC1 1540171529 ZYYXMJFKSLFADZ-UHFFFAOYSA-N 429.609 4.761 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(CC)on2)nnc1-c1ccc(Cl)cc1Cl 1540230809 DHNHPNFCWXEOAS-UHFFFAOYSA-N 438.340 4.719 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1540853739 LXASWVNLXINULL-OAQYLSRUSA-N 447.583 4.972 30 10 IJEE Cc1csc([C@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@H](C)C#N)n1 1542849131 ACBAAVNXLWULCG-HZPDHXFCSA-N 433.585 4.515 30 10 IJEE CN(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)c1ccsc1 1552748617 CMCPSMSNPIKBQF-HXUWFJFHSA-N 441.004 4.703 30 10 IJEE CN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccsc1Br 1554216031 HWDLSPCGSJEQCA-UHFFFAOYSA-N 442.386 4.925 30 10 IJEE C#Cc1ccc(NC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 1558727906 HPLRRSHQFSWMEG-UHFFFAOYSA-N 447.579 4.556 30 10 IJEE C#Cc1ccc(CN2CCC(c3cc(C4CCN(C(=O)OC(C)(C)C)CC4)n[nH]3)CC2)cc1 1560880716 RATIDUREFRWOOQ-UHFFFAOYSA-N 448.611 4.885 30 10 IJEE O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCCc2cc(OC(F)(F)F)ccc21 1561116823 HCYXELNWVDXPCD-UHFFFAOYSA-N 443.340 4.885 30 10 IJEE COc1ccc2c(c1)CN(S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](C1CCCCC1)C2 1561357922 FEBKTCBQMBHAHR-QFIPXVFZSA-N 444.984 4.916 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1587043853 OUEFFDCTMWUYOZ-KDOFPFPSSA-N 425.356 4.773 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](c1ccsc1)N(C)C 1588020583 SBWFFRAUSBBCEV-LJQANCHMSA-N 446.045 4.658 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1C[C@H]1CF 1588559101 DFWYTZRMHFTYNL-OYNPSCLESA-N 428.527 4.506 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C 1588984678 IWPQJRIDWDJOOR-UFYCRDLUSA-N 442.629 4.808 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1589006763 IDCNGPWLQHJDJA-SFTDATJTSA-N 438.597 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 1589503510 DQPWZRJKCINSRF-CTNGQTDRSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCC[C@@H]1C 1589599595 IWUXSCGJVBWCDS-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1594077776 UFEOMUSDPXYJRJ-KDURUIRLSA-N 444.023 4.643 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1594581820 CHXUUIZJPZOAKI-UHFFFAOYSA-N 429.565 4.508 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCSC1(C)C 1595260924 NIOLKTNSHKFLCX-ICSRJNTNSA-N 430.618 4.880 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1595461102 NMINAHAKSNBEST-QUCCMNQESA-N 441.551 4.669 30 10 IJEE CCCc1c(C(=O)Nc2ccc(Br)c(C#N)c2)cnn1-c1cccc(F)c1 1595885228 GNRSOBRMLQDHPY-UHFFFAOYSA-N 427.277 4.850 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C(F)(F)F)CCC[C@H](C(C)C)CC3)cc2C1=O 1597295162 QFEUIZMKENNNMA-OYHNWAKOSA-N 436.474 4.736 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CC(C)C)C1 1613893500 ICFUULUUQDIHDV-HXUWFJFHSA-N 445.615 4.596 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 1618172410 AGRFNJZBPDDHQW-AUUYWEPGSA-N 433.371 4.706 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H](C)c2cc(C)ccc2OC)cc1 1618401612 GHAYZFYLMNBHNR-GOSISDBHSA-N 446.551 4.581 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)c1 1622954870 XSVYUUCAXBCFGK-DYESRHJHSA-N 445.357 4.991 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 1623169475 XJWZZZPJEVLOPF-LJQANCHMSA-N 441.261 4.889 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1 1631717958 CURMPEOXBZDJJX-UHFFFAOYSA-N 430.938 4.513 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 1637048170 WXDFJKHZZMARNH-HXUWFJFHSA-N 430.548 4.710 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(I)ccc2N2CCCCC2)C1 1645067252 UOYVLAWRTSKGHK-INIZCTEOSA-N 438.353 4.710 30 10 IJEE C=CC[C@]1(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)CCCN1C(=O)OC(C)(C)C 1648368963 BOCMAACYEQSKRF-HSZRJFAPSA-N 449.954 4.965 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Cc2nc[nH]n2)cc1 1648862478 CGDTXKZWWWGEJV-UHFFFAOYSA-N 446.326 4.937 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N(C)CCc3ccc(Br)cc3)c2c1 1651505360 ASEWQUQZUJWGKO-UHFFFAOYSA-N 426.314 4.565 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cnc2sc(C(=O)OCC)c(C)c2c1)c1ccccc1 1654686273 FZDSWUCAKXOJGE-IBGZPJMESA-N 444.578 4.767 30 10 IJEE C#CCN(CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC)C(C)(C)C 1654841008 SJDYKUQKSAPSJU-UHFFFAOYSA-N 432.973 4.917 30 10 IJEE C=CCC1(CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CCCC1 1655319325 ZSYVBINPJHGMIE-GOSISDBHSA-N 427.994 4.703 30 10 IJEE Cc1cc(C2(NS(=O)(=O)CC3(CC#N)CC3)CCCCC2)ccc1Br 1655673692 GPWKQTMXWWAMBW-UHFFFAOYSA-N 425.392 4.530 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC1CCN(Cc2cccs2)CC1 1656255402 SQNFHAUKNLFQMW-UHFFFAOYSA-N 433.415 4.524 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 1656933211 KLHSCBSJZIOFOI-UHFFFAOYSA-N 443.550 4.742 30 10 IJEE Cc1ccccc1[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[C@H](C)CO1 1657356432 HVAIBLJMITXWPM-HOYKHHGWSA-N 434.584 4.801 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCCCN2CCN(c3ccccc3Cl)CC2)c1 1658979775 OQHZRXPYPYHUBD-UHFFFAOYSA-N 442.991 4.629 30 10 IJEE C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(Cl)cc1Cl 1663100540 GFUKTCHGSFTMFL-SECBINFHSA-N 434.142 4.667 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(/C=C/c2ccco2)s1)c1ccc(Br)cc1 1663571676 YYXIUXJPGOMIEQ-FEAKQIBJSA-N 429.299 4.560 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 1673779921 WYWFBRWEDSHXGH-OAHLLOKOSA-N 440.853 4.719 30 10 IJEE CC(C)Cc1ccc([C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C2CC2)cc1 1678191548 GNWFQMLDLFPERM-UIOOFZCWSA-N 430.596 4.756 30 10 IJEE C=CCN(C(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br)[C@H](C)COC 1679259211 OOCHXRUMFLCDSU-SECBINFHSA-N 429.208 4.542 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NC[C@H](Cc3ccccc3)c3ccccc3)CC2)c(F)c1 1679510957 AYCLAQVCDLQERC-DEOSSOPVSA-N 442.538 4.555 30 10 IJEE C=CCCCNC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1680813429 YGFOQBJRMIPCIS-IBGZPJMESA-N 429.561 4.545 30 10 IJEE C=C(C)CN1CCC(NC(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1 1684027499 YVGUFCKNCRNZQM-UHFFFAOYSA-N 448.489 4.732 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCCC 1689855044 MZVOQNBGIAGLAQ-KNQAVFIVSA-N 428.024 4.635 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1689882430 ADDFEWQVQRFTBO-UNMCSNQZSA-N 431.584 4.938 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1690059607 TUVDRHJWNRAKCH-MRXNPFEDSA-N 441.576 4.819 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1690317239 WENORRYQNGVSNA-FXAWDEMLSA-N 427.420 4.624 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(SC)CC2)CC1 1690363839 CAYDPUNXBCQOMI-SFHVURJKSA-N 428.602 4.869 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCC[C@H](C)C2)CC1 1690398713 FHRIJZYOTLVLPP-VQTJNVASSA-N 441.595 4.692 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)O 1690447406 OGGFVGMUERPBPT-UHFFFAOYSA-N 439.373 4.800 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[C@H](C)C1 1690500234 OTWHYHPYJHMVCK-HUUCEWRRSA-N 437.357 4.532 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@]1(N(C)C)CCSC1 1690571654 FJJVXPWRKSRVHN-XMMPIXPASA-N 445.652 4.636 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@@](C)(CC)O1 1690576327 WEHXNEDZVTZWMW-WZONZLPQSA-N 425.602 4.885 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc([C@H](C)O)cc1 1690579003 CWMBAMLGSHJSRO-IBGZPJMESA-N 445.592 4.620 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(F)cc1)N(C)C 1690587947 CUHOGGOREIXVTJ-HXUWFJFHSA-N 440.954 4.614 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1705511509 WWOYHFBHBKVRTB-SJLPKXTDSA-N 432.410 4.865 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCCCO 1705696284 MMCVNIKZJMLAPB-FYYLOGMGSA-N 440.632 4.823 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1Nc1cnn(C)c1 1705709353 NVHFUCLGJQCVPW-MGPUTAFESA-N 444.992 4.682 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(C)CCCO2)CC1 1705777909 SZHPHFMIWFITKN-OAQYLSRUSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(F)cc2Cl)CC1 1705783857 YEFTWHRMFJJNDC-UHFFFAOYSA-N 425.939 4.702 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(F)(F)F)C1 1705812495 BHKFBSPVFIQHJS-ZDUSSCGKSA-N 446.315 4.791 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1705825201 MPUONTGTTJNRRD-HXUWFJFHSA-N 439.604 4.612 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOC1CCOCC1)C1CC1 1705850378 RMILMRUQVXFRFL-UHFFFAOYSA-N 438.616 4.983 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(Cl)cc1 1705866260 LHVJMCLTTUQMFT-QGZVFWFLSA-N 444.988 4.769 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(C2CCCCC2)CC1 1705912803 UZQNKBQMRQXPHS-OAQYLSRUSA-N 437.632 4.859 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1csc(C)n1 1722276785 JALMMBSUYIEGJH-HUUCEWRRSA-N 429.977 4.537 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722313337 SVHFBGYXOQUKLI-OAQYLSRUSA-N 434.540 4.838 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCCOC(F)F 1722512994 PMQVRYCKIZXMDP-UHFFFAOYSA-N 429.309 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC1CCN(CC)CC1 1722515653 VXODISMTLGEWLN-UHFFFAOYSA-N 434.632 4.875 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2csc(C(C)C)n2)CC1 1722568705 WYKRDJYWMMPVNX-UHFFFAOYSA-N 448.596 4.708 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCCC1(C)C 1722594852 FOGJMNXWOKFLIM-VWLOTQADSA-N 440.588 4.798 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1)C(C)C 1722665585 NIQHAJSFIRQYBK-ACESQOTJSA-N 429.653 4.701 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1723382389 BWZBUHVRKVJDRA-UHFFFAOYSA-N 436.560 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1CCCC[C@H]1C 1740543683 VAFONCKICMINSP-NHCUHLMSSA-N 430.600 4.606 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740605204 ROWOUANMQWTKHO-AOMKIAJQSA-N 434.415 4.832 30 10 IJEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1740692148 FKUARYRLNPYRBP-SFHVURJKSA-N 447.961 4.569 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740757311 UOAXPRCXEPZAAS-TYPHKJRUSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)C[C@H]1CC 1740766928 LNCYOKHLMFHBAO-MYJYVVNQSA-N 428.552 4.602 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1740814904 HKDKQKJJAZZJRM-OALUTQOASA-N 434.943 4.533 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cscc2C)CC1 1740819447 QVJUYTNNOOILCK-UHFFFAOYSA-N 432.391 4.621 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCN2CCCCC2=O)CC1 1740833236 OEOJNBZVKNXXLM-HSZRJFAPSA-N 435.616 4.625 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2ccncc2)CC1 1740837073 PTUBWJHEZHNSRX-UHFFFAOYSA-N 447.583 4.781 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2nccs2)CC1 1740851291 ZQOBRQAOPCPBST-UHFFFAOYSA-N 439.633 4.583 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CCSC(F)(F)F 1740915916 XPXZDEYPOWNFRU-UHFFFAOYSA-N 437.491 4.727 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1)C(C)C 1740924603 XBWWGRBHHRZPDK-JTHBVZDNSA-N 448.615 4.810 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1748731565 GKWXWADVSMDDBK-IBGZPJMESA-N 431.625 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(CCOC)CCCC1 1748895415 YTRGUVHGIBTHPW-UHFFFAOYSA-N 439.003 4.582 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)cc1F 1748914990 QZWNCGPNQPLWEH-INIZCTEOSA-N 438.572 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1749133555 NCPBIIZCKGGULM-TYYYZTEESA-N 447.048 4.834 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1749255593 DCVSWWOLEZIAEN-IAGOWNOFSA-N 446.979 4.740 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2CC2)CC1 1749342291 YELZQLLRCYYNOJ-FQEVSTJZSA-N 429.609 4.595 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C 1749400718 LEKUALRWUQXHLE-WOJBJXKFSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1749403694 IDIZRPUUEGLMIQ-NHCUHLMSSA-N 425.577 4.932 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1749417378 DNMIONRAVQSYDV-UHFFFAOYSA-N 437.500 4.769 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](F)c1ccc(Br)cc1 1749482429 HGQJNRNLUXGIHP-KRWDZBQOSA-N 430.325 4.744 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1749554563 VNWSSILFOLLRBM-SFHVURJKSA-N 447.649 4.986 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C)CCOCC2)C1 1749699551 BGALJAYYUPKIAX-JOCHJYFZSA-N 438.616 4.841 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOC)CC1 1760213199 TYLLDIPTBCRJMD-UHFFFAOYSA-N 436.625 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H](CC)Oc1cccc(F)c1 1760294221 RARGMMQSHFUWAO-XZDHIHRUSA-N 426.536 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 1760320387 UQWPPJJVLGOPNP-BEFAXECRSA-N 438.469 4.844 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 1760363139 FTAYEVVUNYDHSF-NRFANRHFSA-N 437.632 4.567 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1760434163 ZMAVHHJFEOKOCA-UWJYYQICSA-N 426.492 4.694 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1760488802 GAYFTHGAMRXWEI-PLXFJCCSSA-N 436.600 4.727 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1CCc1coc(-c2ccc(C)cc2)n1 1760492709 CVFXAQWGEZZNRC-UHFFFAOYSA-N 426.524 4.725 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)c1ncc(C)s1 1760504411 PDXAUIVHAFGIJS-HNNXBMFYSA-N 431.993 4.806 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C[C@@H](C)c1nccs1 1760507773 DXNRCFNNZZMMRC-QGZVFWFLSA-N 435.553 5.000 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)(C#N)CC1 1760560587 ZNOUMBNZBLIBDO-KRWDZBQOSA-N 429.565 4.606 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)s1 1767090635 HSISWVCYOZMJEE-UHFFFAOYSA-N 434.956 4.535 30 10 IJEE CO[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC#N)CC1CC1)C1CC1 1768085891 GCMLNOWGMKRHKC-LJQANCHMSA-N 434.371 4.807 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1C 1771110150 GIRNLAPEMXKXTG-SJLPKXTDSA-N 446.393 4.510 30 10 IJEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)c3cccc(C#N)c3)cc2)cc1 1860160176 YUPSXJSEIKFMPX-KRWDZBQOSA-N 429.476 4.615 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 1862468246 KMNIWHVKMQJFGQ-GOSISDBHSA-N 432.289 4.823 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2cccc(Cl)c2)c1 1862490875 FXFPXOCOTHKRMZ-OAQYLSRUSA-N 435.911 4.501 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(Cl)cc2Cl)c1 1862498316 FRFZGRSCJKFUOI-IBGZPJMESA-N 434.319 4.571 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2c(F)cccc2Cl)cc1 1862530891 ABUPIDHIROZTNT-KKSFZXQISA-N 443.902 4.799 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 1862616263 PNYSEQYZECFLNE-UNMCSNQZSA-N 437.511 4.881 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862694791 RYVMTUCWZFYHPY-ZAOYMGCJSA-N 449.503 4.550 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1 1862719464 LPZBGOXKGGATPU-QFIPXVFZSA-N 429.472 4.613 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)c1 1862938921 XOMNRZORFHPCRK-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1862939410 MSIUWCPOVGQICP-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CC[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1866757214 LFWRFOLUXKQDHM-QHCPKHFHSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CCCc3ccc(OC)cc3)CC2)nc(C(C)C)n1 1869093673 DTENTRGPSSVRHE-UHFFFAOYSA-N 449.643 4.542 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)c1ccc2ccccc2c1 1870148556 SMOABPYZKNVOIQ-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870159878 UPGQLPCPFNMVBN-OLZOCXBDSA-N 432.698 4.841 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CSc1ccc(C)cc1 1870204241 JHEUWZGJJLPUJK-UHFFFAOYSA-N 438.524 4.792 30 10 IJEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCC[C@@H](C)C2)c1 1870348142 KVNDSZOPQKNDES-JOCHJYFZSA-N 441.575 4.888 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN(CCCC)CCCC 1870710831 FJJVRDPIBQGDNG-UHFFFAOYSA-N 439.600 4.762 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1cccc(C)c1C 1870972460 ZZJDQGDKPWHNNU-UHFFFAOYSA-N 441.616 4.953 30 10 IJEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(OC)cc1C 1871213258 TWASQTXLHPRDQF-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871996938 IGHGQNBZQLILLZ-NFBKMPQASA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)CC)S(C)(=O)=O 1872125315 MNUHRFOWIMQZMD-LRDDRELGSA-N 440.915 4.550 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOC)=C(c2cccc(Cl)c2Cl)C1=O 1873125901 TUFRWVNFQLULME-UHFFFAOYSA-N 427.372 4.670 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2[N+](=O)[O-])=C(c2c(C)cc(C)cc2C)C1=O 1873330101 ALRMRUGTGGXLGF-UHFFFAOYSA-N 425.872 4.551 30 10 IJEE Oc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 1874385839 LLJDATAKLSBUCQ-KOEQRZSOSA-N 430.533 4.780 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2[C@H]2CCCO2)c1 1874441585 CQUAJGHAOSIXNH-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2sccc2C)c1 1874459256 DQDHWEKMWVYJEW-LSFURLLWSA-N 439.488 4.588 30 10 IJEE CCCCc1nnc(SCCO)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874481010 PFQSJGKWXYUYAK-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C2CC2)cc1 1874520926 RXPFCGBWYPZJLO-ZMOGYAJESA-N 430.537 4.541 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC(=O)Nc1ccc(C)cc1 1874597593 VORSLNFTRJWYIP-BJMVGYQFSA-N 445.471 4.646 30 10 IJEE C=C(COCc1ccccc1)[C@H](CC1(NC(=O)OC(C)(C)C)CCSCC1)NCC 1922092698 VEBKTORWZFBKQY-NRFANRHFSA-N 434.646 4.918 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(c3c(Br)cccc3C#N)C2)C1 1965652762 WOVOLLANAQTFFZ-INIZCTEOSA-N 434.378 4.794 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1F 2080102134 PIVVJDDODCWFOL-QGZVFWFLSA-N 439.272 4.630 30 10 IJEE Cc1nn([C@@H](c2ccc(OC(C)C)cc2)C2CCC2)c(I)c1C#N 2080104050 OKIROTDCSYVAHI-GOSISDBHSA-N 435.309 4.845 30 10 IJEE N#Cc1c(C2CCCCC2)nn2c(=O)cc(-c3cc(F)c(F)cc3Br)[nH]c12 2081027553 OWSYHDLCYKKBKD-UHFFFAOYSA-N 433.256 4.650 30 10 IJEE CCCN[C@@H](CC#CC1CC1)c1ccc(I)c(Br)c1 2090188264 SPKUXHGXGHNLNO-INIZCTEOSA-N 432.143 4.898 30 10 IJEE Cc1cc(=Nc2cc(Br)c(Br)c(Br)c2)cc(C#N)[nH]1 2095445822 MOJSVGAJSAPNPT-UHFFFAOYSA-N 445.940 4.715 30 10 IJEE CC(C)Cn1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)nn1 2149352586 CZGUHRSOTCPZMG-KRWDZBQOSA-N 434.338 4.703 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#Cc1ccc(Cl)cc1 2212452890 MTKLTGKQWMJEOV-BULFRSBZSA-N 428.960 4.517 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(C)c(C)c1Br 2221904369 JTWBKHZYPWQADW-ZDUSSCGKSA-N 431.396 4.603 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(F)cc1Br 2225591664 XAGYUSBERWNHCU-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@H](O)CC#C[Si](C)(C)C 2229108014 RDROOWNGGCJUHT-ZWKOTPCHSA-N 440.454 4.517 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](N)C#Cc1ccccc1Br 2235721438 INBJIMHQOXXLSH-CMKODMSKSA-N 435.406 4.657 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](O)(C#Cc2ccccc2Br)C(F)(F)CC1 2235744494 QPNSWYBMLWTTDA-IBGZPJMESA-N 444.316 4.588 30 10 IJEE COc1ccc(C#C[C@@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)cc1 2237747655 NYWYTJJJKFXVFD-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2245891907 ADPBIGZALPWALY-AUUYWEPGSA-N 435.487 4.858 30 10 IJEE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2255655935 SZQPNLHPBHFXSY-UHFFFAOYSA-N 430.354 4.618 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)c1 2267195535 LCNAFZNSBPQPLN-UHFFFAOYSA-N 445.290 4.833 30 10 IJEE C=CCCC1([C@H](Cc2cc(F)cc(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2281056011 MSSMYNGPNZGISX-SFHVURJKSA-N 441.385 4.922 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2296291001 JSIWVURYYRQYPR-HOTGVXAUSA-N 449.311 4.577 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 2297227455 YTDHDOJJHDFMJA-UHFFFAOYSA-N 442.518 4.570 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2305319349 LZLABCNUOPFEDV-TYBLODHISA-N 428.573 4.555 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1OC 2314429396 GJODGBQHHCEBHW-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2319210980 AKNNZAHDBJUDRL-XJUOHMSHSA-N 447.572 4.703 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2c(C)cccc2C)cc1 2321276001 ZLYVTMSTZHXHBW-UHFFFAOYSA-N 437.569 4.687 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc(NC(C)=O)c3)c2C)C1=O 2322969057 PCTCXEQBKOMCNA-UHFFFAOYSA-N 443.455 4.797 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)c1OC 2323034938 PZULAWVNEJLHLF-UHFFFAOYSA-N 443.666 4.596 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2323076036 UCIZGUKQAPEVHK-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323226168 ABMNKODSWHRNHY-UHFFFAOYSA-N 433.391 4.807 30 10 IJEE CCOc1cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc([N+](=O)[O-])c1OCC 2323850841 QFRBCUWGYAIOAY-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4ccc(F)cc4)CC3)C2=O)c1 2324036908 MUAWZXFPQHIPNI-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 2324357126 WSJOKCZGCUSZIH-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1cc(C)ccc1O 2326474125 AKTOHCPKAVSKSV-UHFFFAOYSA-N 436.537 4.596 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C#N)cc2)cc1OCC 2326660449 JFDZCGWIDWFFKZ-UHFFFAOYSA-N 435.553 4.902 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccnc1 2330084364 QJBUHZWRFFOESF-KRWDZBQOSA-N 444.520 4.908 30 10 IJEE C=CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330974554 ONOJZHJCYIFKTG-HXUWFJFHSA-N 434.521 4.509 30 10 IJEE COCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(Br)c1 2331282407 QIUZEIBIKSNFLK-UHFFFAOYSA-N 449.349 4.543 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1cccc(F)c1 2331320601 KDEFEBLOSJHZFO-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccccc1O 2331332989 JZBLNEIPBOIVQH-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1c[nH]c2ccccc12)Nc1ccccc1 2331485109 RLKURURXKRHYGQ-UHFFFAOYSA-N 430.537 4.640 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)c(OC)c1 2331717605 PYHUQBSQHPECGB-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CC1(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)CC1 2339537122 USRQMBFNUFNIEX-UHFFFAOYSA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604483 PTKFLGCBKHEPCB-HHNLSAEISA-N 443.397 4.784 30 10 IJEE C=CCSc1ccccc1NC1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 2372857834 ZBTAPJSRCVDKNK-UHFFFAOYSA-N 426.538 4.633 30 10 IJEE Cc1ccc(N2C(=O)[C@](Nc3nccs3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 2423871 FUJFKVKZTFRRBI-FQEVSTJZSA-N 435.471 4.855 30 10 IJEE CC(=O)Oc1c(Br)cc(/C=N/CCc2ccccc2)cc1Br 3082677 HFSVZKKFDKYGSD-RGVLZGJSSA-N 425.120 4.799 30 10 IJEE C[C@H](Oc1ccccc1)C(=O)N/C(=N/c1ccccc1)NCCc1c[nH]c2ccccc12 32943205 LCUNBUMROCIFIB-IBGZPJMESA-N 426.520 4.571 30 10 IJEE O=S(=O)(c1cccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)c1)N1CCCC1 33960156 WOBJDKOTYYRIGD-KSSPAFGBSA-N 438.578 4.706 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)c3oc4ccc(C)cc4c3C)c(C)c(C#N)c2=O)cc1 38624512 SNSAPCAZMBOLFV-UHFFFAOYSA-N 426.472 4.685 30 10 IJEE C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCN(CC)C3 39869528 XOWDSORLJKOFFN-UHFFFAOYSA-N 427.595 4.502 30 10 IJEE CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2cccc(OCC)c2)C1=O 59446727 NCHXROXCBXRASC-IBGZPJMESA-N 445.972 4.709 30 10 IJEE CCN1C=C(C(=O)/C=C\c2ccc(Br)cc2)[C@@H](c2ccc(OC)cc2)NC1=O 102749513 UFASMALKCXKATE-WLFHQHCLSA-N 441.325 4.710 30 10 IJEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1 105538312 KVEBKNMIVTVMLM-UGUGFTGJSA-N 429.472 4.547 30 10 IJEE COc1cccc(N/N=C2/C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2C)c1 105572724 JVLPRDHTCQQRIX-HKOYGPOVSA-N 425.901 4.663 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934356 YGEZWGWRCSOAOV-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OC(=O)c3ccc(F)cc3)cc2)NC(=S)N1 169938325 MUESCRNEPZKIJH-QFIPXVFZSA-N 446.503 4.721 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949831 CKGKESJSRBVYMX-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC)cc1 170033055 FWZKZJYEUVBRHR-NRFANRHFSA-N 443.927 4.744 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)c(Cl)c1 170041872 JXNGUBVNZLLAHV-NRFANRHFSA-N 441.911 4.965 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(C)o2)cc1 170099872 FTAJVGLVHCSFMI-HSZRJFAPSA-N 430.504 4.999 30 10 IJEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccco1 170104005 GUDMEHKJEFPAQX-QFIPXVFZSA-N 430.435 4.987 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170142238 UBHHQSZKUPXJPD-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(C)c1 170145746 BCNPEJJFXTXNFI-IBGZPJMESA-N 434.319 4.917 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1 170184906 PXVRMAAAXCLDRD-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170234275 JJFHEFTUMNRJEE-OAQYLSRUSA-N 432.407 4.512 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170266679 ROZIXMDAPACZGT-HSZRJFAPSA-N 433.504 4.889 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cn(C)c3ccccc23)c1 170269474 XRLQPOYBVTYBOI-HSZRJFAPSA-N 432.520 4.955 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)cc1C(C)C 170292270 YSGSZLUFBHOXGY-QHCPKHFHSA-N 446.503 4.894 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2cccs2)o1 170298179 ROMKNPYBPUAKOI-NRFANRHFSA-N 435.501 4.753 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccc(C)o1 170305225 QTSYOUGJOATLKL-QFIPXVFZSA-N 428.444 4.560 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccc(C)o1 170305699 XXRUINIHJHCISX-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)o1 170306648 POFKDVJGXXLYKD-SCLBCKFNSA-N 436.291 4.652 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2sccc2C)c1 170317437 KPJCBYQYIOLGMR-FQEVSTJZSA-N 441.549 4.985 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)ccc1OC 170439385 BJUWTMZNRQPZMC-FQEVSTJZSA-N 445.462 4.887 30 10 IJEE N#Cc1ccc(Br)cc1Nc1ccc([N+](=O)[O-])c(I)c1 232478431 NHPZVIWOPLYOER-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE Cc1ccccc1[C@@H](C#N)C(=O)c1cc(Br)ccc1I 235805616 LSNPXUZBDDDAOB-CQSZACIVSA-N 440.078 4.852 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C/c3c(C)n(C)c4ccccc34)C(=O)N2C)cc1 254288507 SDNJGLMJSKZRHZ-ZOQGDPGVSA-N 433.533 4.897 30 10 IJEE C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2ccc(-c3ccccc3)cc2)C1=O 254846946 SETUZZMLTHVKEI-DEOSSOPVSA-N 435.430 4.756 30 10 IJEE CCCCCCCCNC(=O)C[C@@H]1S/C(=N\N=C(C)c2ccc([N+](=O)[O-])cc2)N=C1O 254869047 YFQDAEVSSGYGMF-SFHVURJKSA-N 447.561 4.614 30 10 IJEE CC(C)[C@H]1CN([C@@H]2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CCN1C(=O)OC(C)(C)C 396448004 GFFQIMPARFBTNV-WOJBJXKFSA-N 434.430 4.674 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 407364451 TXQIEDFMFFWOJR-JKSUJKDBSA-N 433.337 4.717 30 10 IJEE Cc1ccc(NC(=O)C[C@@H](C)NC2CCC(Oc3ncccc3C#N)CC2)cc1Cl 437104086 CLJGAXXOZHMSFX-PPDQVPDSSA-N 426.948 4.612 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)n2)c1 441241312 YPBUEAUDKLKXMT-HXUWFJFHSA-N 434.496 4.513 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc(OC)c1OC 462001662 FQAKZGLKDYGPFL-OAQYLSRUSA-N 438.572 4.621 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 462750772 QUCMDGKCOIYMHA-QHCPKHFHSA-N 436.556 4.595 30 10 IJEE N#Cc1cc2c(nc1NC(=O)CCCCOc1ccc(Br)cc1)CCCC2 484163245 PWWQOWFBPCAOHI-UHFFFAOYSA-N 428.330 4.782 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503100562 CRQMZDZKKZVAHU-FPTDNZKUSA-N 431.533 4.697 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(NC(=O)CCCCC)CC1 508930071 DENFPBYHJUGHSA-UHFFFAOYSA-N 446.599 4.653 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 508962802 QYRKFEWJDOIVFZ-FQEVSTJZSA-N 433.604 4.554 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccc(C#N)cc21 559557886 FGWJOHAFDDFTDP-IBGZPJMESA-N 430.335 4.599 30 10 IJEE COc1cc(C#N)ccc1NC(=O)N1CCC[C@H]1c1ccc(I)cc1 562288973 TVJFDDHTTMJNKD-KRWDZBQOSA-N 447.276 4.540 30 10 IJEE C=CC[C@H]1CCCCN(C(=O)c2ccc(I)c(Br)c2)C1 721367219 XOCQRBMIFNJXFJ-LBPRGKRZSA-N 448.142 4.872 30 10 IJEE COc1cccc(N=C2S[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)c1 725444274 SJQILNZTCFUNLR-INIZCTEOSA-N 438.336 4.592 30 10 IJEE CCOC(=O)N1[C@H](C(=O)OCc2cc(Cl)ccc2OCC#N)CC[C@@H]1c1ccc(C)o1 786154766 PTKSJGDCAKKZPT-MSOLQXFVSA-N 446.887 4.549 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C)c3)N([C@@H]3C[C@H]3C)C2=O)cc1 790003480 YFKDKVRHHNRQRX-IPHXSNPTSA-N 435.549 4.566 30 10 IJEE C=CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1124199322 MDTOXTFRQILOMH-HSZRJFAPSA-N 426.582 4.940 30 10 IJEE C[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)N1CCc2ccccc2C1 1125584944 FSPACHYNZHVJBE-IBGZPJMESA-N 427.573 4.886 30 10 IJEE CCCc1c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cnn1-c1ccc(C)cc1 1127887747 DTYDJBXKOOIVSS-UHFFFAOYSA-N 428.471 4.582 30 10 IJEE COC[C@]1(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)CCN(C(=O)OC(C)(C)C)C1 1129225540 AMNBXMIWZSGVLZ-USGALAMMSA-N 447.601 4.518 30 10 IJEE C#C[C@H](NC(=O)c1cc(Cl)cc(Br)c1)c1ccc(Br)cc1 1129608506 FRIJYRKIBYDPAZ-HNNXBMFYSA-N 427.523 4.969 30 10 IJEE C=CCOc1ccc(CC(=O)N2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)cc1 1131041555 DNYIHPMUQHWIIV-NRFANRHFSA-N 436.552 4.667 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)cc21 1134356274 GLEZGEGNPBYSNR-HXUWFJFHSA-N 438.503 4.608 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)OCC 1140929505 JYFPMNITMLDIIF-IBGZPJMESA-N 449.334 4.873 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1143068539 SNPJGWQVIQKDFE-NGOKVRLYSA-N 444.575 4.956 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 1144437763 HOTRLXKZJIBVQW-GOSISDBHSA-N 427.570 4.981 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)CN(C(=O)OC(C)(C)C)C1 1157017694 TYMXQAXCUQYLDP-GOSISDBHSA-N 437.540 4.864 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3ccc(F)c4ccccc34)ccc2c1=O 1160436421 ZHOKAVAZRWRDNO-AWEZNQCLSA-N 433.508 4.655 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2COc3cccc(Br)c3C2)cc1OC 1179430373 ZLEXLCLQAWGMSG-AWEZNQCLSA-N 438.749 4.769 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1OC 1188122643 RAXSSAPNFPRBHM-UHFFFAOYSA-N 426.517 4.708 30 10 IJEE C#CCN(C(=O)Nc1cccc2ccn(C)c12)[C@H]1CCOc2ccc(Br)cc21 1203405134 CQEZZZFYYLJHAW-IBGZPJMESA-N 438.325 4.932 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br)c1ccccc1 1216524899 SIQYYPRSBZZVTF-KRWDZBQOSA-N 429.314 4.900 30 10 IJEE C#CCC1(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CCC1 1220534672 UMPPGFALDANOOK-HXUWFJFHSA-N 428.001 4.746 30 10 IJEE C#C[C@H](NC(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1)c1ccc(F)cc1 1224081905 OXTYNEQPVYLJFB-NRFANRHFSA-N 431.552 4.759 30 10 IJEE Cc1nc(SCC(=O)O[C@@H](C)c2nc3ccc(Cl)cc3n2C)c(C#N)c(C)c1C 1265614170 DZWITNORAIOJCV-AWEZNQCLSA-N 428.945 4.815 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1265659118 SGHVZTJAQJITOV-LIXHSBQKSA-N 441.616 4.502 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1273995159 WMPNXCSHEJANDT-INIZCTEOSA-N 425.367 4.733 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1286316407 IJXMCRJKPZFLCA-GCJKJVERSA-N 431.565 4.648 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1286316616 DICXENTYIWXPOB-XMMPIXPASA-N 435.959 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCc1ccc(Br)s1 1286517383 UPJSQNJWJUGPJJ-HXUWFJFHSA-N 445.386 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=C)Cl 1286527919 SZPDSZNSGGYSIR-LJQANCHMSA-N 425.747 4.909 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C)[C@H]1C 1286588320 BEIUNYCOFWJGAR-OLZOCXBDSA-N 425.371 4.753 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1286640506 JBXQBWVVCNVPOM-LEWJYISDSA-N 440.588 4.712 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1286649060 PHYDBBHTZDJKRP-UHFFFAOYSA-N 441.501 4.876 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1286684678 LMBCLWHIKIEXGN-RUZDIDTESA-N 440.588 4.716 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1Cc1cccs1 1286708029 OKOMCGNOEFTPFI-GOSISDBHSA-N 444.004 4.859 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1286731082 YSSSWNFYQCYLPE-OAHLLOKOSA-N 444.004 4.762 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)C[C@@H](C)c2nccs2)cc1 1286795360 YUKOGTFVFDZKKU-GOSISDBHSA-N 446.580 4.650 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2CC(C)(C)C2)C1 1286802404 AXFGOTOUQZNPSN-IBGZPJMESA-N 445.405 4.925 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1293931274 DSIWVFUPFBFOEU-HUUJSLGLSA-N 425.577 4.557 30 10 IJEE CC(C)Oc1ccc(Br)cc1NC(=O)CCCC(=O)Nc1ccccc1C#N 1295233835 CJHNTKOZVKJAEN-UHFFFAOYSA-N 444.329 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(NC(C)=O)c1 1300284116 PPEFHUGQRGIMKJ-SJORKVTESA-N 447.608 4.596 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cc(C)no1 1300815964 DQVHLTIALLTGIL-OAQYLSRUSA-N 446.338 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC=C(C)C1 1300873259 FFLNYACLTVMCFO-UWJYYQICSA-N 428.964 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1300877552 YMERTDBWYRZKCU-JZWVFAODSA-N 440.588 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300919107 VMSYVPSXIKKDOE-KRWDZBQOSA-N 433.622 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2nc(C)c(C)s2)CC1 1301075191 WWNKPYOXMGYGSS-UHFFFAOYSA-N 439.585 4.630 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C)nc2)CC1 1301106905 YAQDGRLOGZRSIX-FQEVSTJZSA-N 447.583 4.971 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(ccnc2O)C1 1301231092 CRRYRIZNDUWDKA-UHFFFAOYSA-N 447.583 4.784 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1301260081 VVTHWWGKGOAPBS-ZVDOUQERSA-N 428.552 4.604 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1Cc2ccccc2C1)C(C)C 1301368269 ZTLJXJCLEWHJBA-DEOSSOPVSA-N 428.584 4.559 30 10 IJEE C=CCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)nc2cc(Cl)ccc2c1=O 1307242235 IHULHDKPDZQIPJ-UHFFFAOYSA-N 447.951 4.894 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 1310862746 UTNUGXNEYFZVAB-KRWDZBQOSA-N 434.334 4.566 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 1311300755 ZTSKSDSTRBFLJP-QFIPXVFZSA-N 438.936 4.636 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccc(Cl)cc1 1311634682 VTSFMVBRWJNPMV-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1311951870 DAHMUEPRPLJFIT-QFIPXVFZSA-N 445.604 4.866 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)Cc2ccccc2)c(C(=O)OCC)c1C 1355006961 AFWJEMKSQZVAOR-KRWDZBQOSA-N 429.538 4.783 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2cccc(C)c2Br)cc1 1355842594 PGOJZWULOBPZPM-UHFFFAOYSA-N 427.342 4.753 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(C(C)C)c(C(=O)OCC)s2)cc1OC 1356565412 GJIQKSZBIQAFIV-LUAWRHEFSA-N 430.526 4.669 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1357641019 QDHAWVKYLQYELV-VWLOTQADSA-N 444.572 4.604 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)N(CC)CC 1358875929 YZFNNQUIGHJJKP-TZIWHRDSSA-N 432.616 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(SC)c1 1359064841 BDJUWRKRMIRVAB-SQJMNOBHSA-N 431.609 4.977 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1359117905 BQXGAVZWHYFLLT-JKSUJKDBSA-N 438.439 4.733 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1359155570 CHAMIVTYLOFXFE-NRFANRHFSA-N 444.023 4.539 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCCC1(C)C)C1CC1 1359246534 DSHFGVZNWHXWDU-MZNJEOGPSA-N 428.552 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1 1359260495 GJVYRNOMTCGMLJ-UHFFFAOYSA-N 444.505 4.974 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1Cc1ccc(C)nc1 1359263046 NTUNDLLIQWQYNB-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(C)C)CC1 1359274591 SVGHMICUMJCRPX-IBGZPJMESA-N 429.609 4.965 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1359342859 GIUJXTLJWWOGRH-UHFFFAOYSA-N 442.629 4.591 30 10 IJEE C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1435008174 HXDMUCPROQQWSO-MRXNPFEDSA-N 441.503 4.718 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1436641297 IQEISVBORJJJAQ-HIFRSBDPSA-N 439.350 4.598 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)CCCN1C(=O)OC(C)(C)C 1439499936 ICEBYUNAWIEZQN-HSZRJFAPSA-N 447.963 4.973 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccncc1C)c1ccc2c(c1)OCCO2 1443638601 WZDDJPQQYXKWJS-UHFFFAOYSA-N 430.504 4.502 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1446802681 AKMCLFKFWHMKRX-HNNXBMFYSA-N 440.487 4.981 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 1455950865 VSDKWZTYGPCZJW-NHCUHLMSSA-N 425.532 4.524 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](Nc2c(C#N)nnc3ccccc23)C1 1458365679 FBWHJCHRDKBWQS-QGZVFWFLSA-N 436.357 4.962 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)c1ncc(Br)cn1 1459415474 HDWHUTFMVRHOJZ-NSHDSACASA-N 429.131 4.890 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCSC[C@H]2c2ccc(Cl)cc2)cc1C 1459550562 BPKCAVYLIGOJEF-QFIPXVFZSA-N 428.001 4.994 30 10 IJEE C#CCOc1cccc(Cl)c1CN(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 1462512138 ZLWDVLFHTOOARS-MRXNPFEDSA-N 428.743 4.531 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 1469680616 QRBXSRCIHIPIQR-UHFFFAOYSA-N 433.883 4.982 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1471019925 MNRHXYMTCFGVTK-LMQGHGSNSA-N 431.552 4.700 30 10 IJEE C=CCOc1ccc(CN(CC(=O)NCc2cc(Cl)ccc2OC)C(C)(C)C)cc1 1473265298 RUBQLKRJSWWZJQ-UHFFFAOYSA-N 430.976 4.830 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3ccccc3)C2(C)C)n(Cc2ccco2)c1C 1473558799 AJHXSFKDLXFYMA-HSZRJFAPSA-N 430.552 4.825 30 10 IJEE C=CCC[C@H](NC(=O)NCC(=O)N(C)C1CCCCC1)c1ccc(C(F)(F)F)cc1 1478219158 UZRTYWFLMIIZJF-IBGZPJMESA-N 425.495 4.803 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CCN(CC)CC)c1ccccc1)c1ccc(Br)cc1 1478896544 OWEQVIHRPSGSCO-FGZHOGPDSA-N 442.401 4.896 30 10 IJEE N#CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccccc2C(F)(F)F)CC1 1505320127 DORWOCBBXDLZHE-IBGZPJMESA-N 433.478 4.521 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[C@H]2CC)CC1 1507720315 JISUZYLVLZMDDX-GGAORHGYSA-N 433.644 4.824 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC1CC1 1507748166 LESKMMYIWQZCBO-UHFFFAOYSA-N 433.419 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCC[C@H](C)C1 1507762834 ZERBNYMPQXMBQL-GAJHUEQPSA-N 446.426 4.976 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC[C@@H](C)C2)CC1 1507878354 VIMADYXKURRPAR-MSOLQXFVSA-N 426.561 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](COC)C1 1507919376 OCGXGXYWSGXTSN-GOSISDBHSA-N 432.996 4.976 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1507925052 XYKHVKKBKJSCTD-JTHBVZDNSA-N 448.615 4.822 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507926878 XKJMCCMCNHIJRY-HXUWFJFHSA-N 446.599 4.543 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@@H]1CCCO1 1507937155 MIYIXOHHGTYVBS-PMACEKPBSA-N 447.624 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)cc1OC 1507971853 CVZHQMAAMHXJRO-INIZCTEOSA-N 438.597 4.819 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1507988512 NNHCZUUHKSJSOX-PMACEKPBSA-N 437.632 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc(F)c(F)c1 1508008681 QSGOVOJPZFUFGW-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1 1508011416 RJOVUPNXEYVDAQ-UHFFFAOYSA-N 429.549 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@H](O)C1 1508012323 VTEFBVTXZFMUSB-MJGOQNOKSA-N 445.405 4.746 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1sc(C)nc1C 1508026380 UNVDBMGOZXXYHB-NRFANRHFSA-N 437.613 4.529 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1nccn1C(F)F 1508026571 VLZQTTYKNRHKKU-UHFFFAOYSA-N 449.509 4.524 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)Cc1cccs1 1508161622 MPMAVGXMZWDCRA-HXUWFJFHSA-N 442.610 4.798 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@@H]1C)c1cccnc1 1508850427 FTVLGUNFDWFTAT-YYDVJCTNSA-N 446.624 4.982 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)n1 1511148308 FIFLNNJIAFDSSL-LJQANCHMSA-N 426.524 4.943 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C)CCCC1 1512987542 AQPQFRGSEHHVGQ-OAQYLSRUSA-N 434.632 4.956 30 10 IJEE C#CCN(C(=O)c1nsc2ccc(C)cc12)[C@H]1CCOc2ccc(Br)cc21 1521818225 AHQHRWXEGHUDMJ-KRWDZBQOSA-N 441.350 4.966 30 10 IJEE C#CC[C@]1(C(=O)N(C)CCOc2ccccc2C(C)(C)C)CCCN1C(=O)OC(C)(C)C 1524659460 GBNRGEYDGREARF-AREMUKBSSA-N 442.600 4.614 30 10 IJEE C=C(C)CCC(=O)N[C@H](C(=O)OCC)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 1525893497 CMLAMLSNLFNBKS-FQEVSTJZSA-N 437.462 4.585 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2ccc(Br)c(C#N)c2)c1 1527529741 CKWCDSODPVXXFY-UHFFFAOYSA-N 430.302 4.849 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1 1528601005 HMHQDBQNOVEUFI-UHFFFAOYSA-N 437.952 4.815 30 10 IJEE CC(C)CS(=O)(=O)CCC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1529249202 FHZKPMLKRXQGOX-UHFFFAOYSA-N 436.986 4.762 30 10 IJEE N#Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1Br 1532296735 AUPDOBJYKNXLQC-SFHVURJKSA-N 448.729 4.542 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)CCCN1C(=O)OC(C)(C)C 1534670958 BPEUWEFWHIZCHS-XDHUDOTRSA-N 432.561 4.535 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)O[C@H](C)c2cn(-c3ccccc3)nn2)s1 1539137504 CDNFIVBABRCRCN-CQSZACIVSA-N 434.974 4.724 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1539172065 SSKUBOFBCOUDGU-SJORKVTESA-N 429.446 4.963 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@](C)(CC)O1 1539250932 VHXQNIRHXSBJLJ-VGSWGCGISA-N 431.367 4.672 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](CC(C)C)N(C)C 1539345729 YDQLHWNNLAIUCM-XMMPIXPASA-N 446.643 4.788 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1539499066 CHKCIQSPLSCUPY-ZBFHGGJFSA-N 433.419 4.617 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@](C)(O)CCC)CC1 1539828866 QBGJCUOLCUYZEF-NTKDMRAZSA-N 428.577 4.524 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCOc2ccc(C)cc2)CC1 1539894786 UTEBKFYRXFXMFP-UHFFFAOYSA-N 437.613 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OCCOC)CC1 1539912853 USGWDNDNGHYPCP-UHFFFAOYSA-N 437.588 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1539928685 FRHVXCBZVWPCCU-HXUWFJFHSA-N 431.540 4.918 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1539931934 SZSLGTQJFCQPPK-OYNPSCLESA-N 430.637 4.803 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1539974808 VNTTYOJHUTVXJA-SFHVURJKSA-N 440.542 4.898 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1540039557 AZTNFIGIBBFSSY-QFIPXVFZSA-N 437.613 4.876 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCCC1(C)C 1540177024 KRXFSKZLRLGXET-DEOSSOPVSA-N 426.630 4.998 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC[C@@H](F)C2)C1 1540886417 CPPOOZPWMNOIHK-CGTJXYLNSA-N 434.943 4.527 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(Sc2ccc(C)cc2)CCCC1 1545200523 OILZWBUOJNCPST-FQEVSTJZSA-N 430.614 4.823 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(OCc4cccnc4)c(OCC)c3)cc2n1 1558514506 XECSVUADIFEUGV-UHFFFAOYSA-N 428.492 4.847 30 10 IJEE Cc1cccc(Cc2cnc(NC(=O)CN3CCC(c4ccc(C#N)cc4)CC3)s2)c1 1560182333 IETNOSDLSBTGHU-UHFFFAOYSA-N 430.577 4.732 30 10 IJEE CCN(CC)C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1562320146 CVVQQSOLDZMOTP-HXUWFJFHSA-N 440.975 4.986 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)NCC3(c4cccs4)CCCCC3)CC2)cc1 1564113343 FYKDDSZNCHMCBR-UHFFFAOYSA-N 436.625 4.739 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@H]1CCCO1 1564604000 WLDLHMRFUKXDJX-PZJWPPBQSA-N 434.870 4.733 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl 1565063369 MFYBTUPHAOVDIC-OXJNMPFZSA-N 426.388 4.776 30 10 IJEE C#CCN(C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1565283853 RWJPFISHXHMHPX-QFIPXVFZSA-N 439.600 4.889 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nc(CC)n(-c3ccccc3Cl)n2)C(F)(F)F)cc1 1587315036 BQWKCJFMTKAROL-SFHVURJKSA-N 433.817 4.925 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1587879735 ZOHAEAHSHKMDEN-XZOQPEGZSA-N 436.600 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1nc(C)cs1 1588254416 WBXYTQUWDIFTAN-LJQANCHMSA-N 449.649 4.910 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)c1ncc(C)s1 1588314552 ISDHROPLTPWTRZ-MRXNPFEDSA-N 432.553 4.628 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(OCC)CCCC1 1588603903 AAGCNTBGKUQKDG-UHFFFAOYSA-N 438.616 4.678 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1Cc1cccs1 1589088568 ALASHKLANYESQU-LJQANCHMSA-N 440.613 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccsc1)N(CC)CC 1589197794 IYQCNEKUVATGDF-WIOPSUGQSA-N 448.640 4.785 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C(CC)CC)no1 1589223629 PWSOJNZMCSURMM-RUZDIDTESA-N 435.547 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1SC 1589600259 ZDSFIVGZPSNJPI-DEOSSOPVSA-N 444.645 4.800 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1589742752 YLSREECLNAXMMM-QGZVFWFLSA-N 427.499 4.584 30 10 IJEE C=C(C)Cn1c(N(C)Cc2cc(C)ccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593677564 BUBBVYRHADOUKY-IZAXUBKRSA-N 443.567 4.709 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](OCC2CC2)C1 1593817447 CDFGBHSBKPREBP-FUHWJXTLSA-N 434.943 4.705 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1594698454 RKBZUPXBCJTFLV-UHFFFAOYSA-N 449.958 4.761 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)c2cccs2)CC1 1594793069 FWSFTPCHVMAECD-UHFFFAOYSA-N 440.569 4.600 30 10 IJEE C=CCCOCCn1c(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1594829633 NUQGDXGPHVNAGT-OAQYLSRUSA-N 447.023 4.772 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1595134160 TXBDUGWHFBWINE-WOJBJXKFSA-N 425.596 4.683 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1-n1ccnn1 1611069174 CAVHCNCZZYMTTP-UHFFFAOYSA-N 432.299 4.809 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1)c1ccccc1 1616817694 IJNHVQWYFQHQRQ-GDLZYMKVSA-N 449.363 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 1622699228 QGYWCBWLHGJZHQ-IFXJQAMLSA-N 432.318 4.739 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3[C@H](O)c3ccccc3)cn2)cc1 1622864453 FEKKIPQZENWZEB-LADGPHEKSA-N 428.492 4.866 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 1628647824 FJYPCNDSHZEQMH-QHCPKHFHSA-N 425.460 4.638 30 10 IJEE C[C@H](CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)CC(F)(F)F 1630142122 AVHPXSHGXGMTQQ-AWEZNQCLSA-N 435.471 4.607 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CCCC2)cc1 1632325488 HFCDGUNPLZATIF-UHFFFAOYSA-N 441.579 4.865 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)c1 1634723000 ZNXKJBFKKYYWNQ-UHFFFAOYSA-N 440.908 4.577 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1 1635139795 OVAQEBAHESLJEE-UHFFFAOYSA-N 448.494 4.980 30 10 IJEE CCc1ccc([C@H]2CN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CCO2)cc1 1638541132 HFUFADJMJJCKAC-AREMUKBSSA-N 426.516 4.913 30 10 IJEE C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1642940471 BSVBNCDKBAMKGB-QRWLVFNGSA-N 442.350 4.987 30 10 IJEE C=CCn1c(SCCOCC(F)(F)C(F)(F)F)nc2sc(C)c(C)c2c1=O 1652447095 FVPWHTMZRLCOGR-UHFFFAOYSA-N 428.448 4.567 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN(CCCc2ccccc2Cl)CC1 1653176361 CYFUJNNIMLVPJD-OAQYLSRUSA-N 432.793 4.918 30 10 IJEE Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cc(C#N)ccc2Br)cn1 1658484280 HTOQTFVYFRFZLW-UHFFFAOYSA-N 429.749 4.910 30 10 IJEE C=CCCS(=O)(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1660785649 PCFYIQUEEWFQEP-SFHVURJKSA-N 445.437 4.650 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(F)cc(OC)cc1F)c1ccc(C(F)(F)F)cc1 1662980712 IEIYUKUIJRPQQM-KRWDZBQOSA-N 435.414 4.978 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@@H]4CC[C@]43CNC(=O)OC(C)(C)C)cc2n1 1664854972 WUFGJFIQSPXFNB-KOSHJBKYSA-N 439.560 4.524 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCO[C@@H](c4cccc(Br)c4)C3)cc21 1664928900 BJXKUSHLIXVVMH-HXUWFJFHSA-N 441.329 4.590 30 10 IJEE COc1cc(CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc(OC)c1 1666638393 BGQZRDXMOFDMRZ-UHFFFAOYSA-N 447.491 4.741 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1667222636 YWGSXFHDQVDKMA-AWEZNQCLSA-N 438.450 4.934 30 10 IJEE COC(=O)C[C@@](C)(NC(=O)Nc1scc(C(C)(C)C)c1C#N)c1cccc(OC)c1 1671685645 BKCCIOCOKVVKFY-JOCHJYFZSA-N 429.542 4.526 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2sc(C(F)(F)F)cc2C(=O)OCC)cc1 1672535468 PKQFZOAOCCKYBG-UHFFFAOYSA-N 428.432 4.830 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 1675755657 MMAMIPKQWQDLKM-UHFFFAOYSA-N 436.394 4.802 30 10 IJEE Cc1ccccc1[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCC[C@H](C)C1 1678610211 CPLZNBKDMWHLLL-UWUFEASWSA-N 431.584 4.661 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1 1678957637 NWYRADCHMKIEIR-KDURUIRLSA-N 443.567 4.827 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1)c1ccc(Br)cc1 1679227965 OWOWPHRIZWRODF-OXJNMPFZSA-N 444.373 4.831 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1682356167 BDSPRQCBHWLPAP-APWZRJJASA-N 449.389 4.667 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)[C@@H]1CCCc2ccccc21 1682889093 KOLUNBHYFOYURR-YADARESESA-N 431.536 4.817 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21 1683213282 IRBPXJJUGGMMGZ-SESVDKBCSA-N 443.389 4.653 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1689920732 IMIVYWJXWXNZRL-RDPSFJRHSA-N 436.600 4.787 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)C(F)(F)F 1690054490 ZHJSGSYCNSOWEG-UHFFFAOYSA-N 438.881 4.562 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cccs1 1690248055 JXSJUBFYKNBAPC-XMSQKQJNSA-N 426.561 4.687 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(CC)CC(C)C 1690252291 BZVUGQYGXQCAQI-PGRDOPGGSA-N 432.996 4.974 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C(C)C)C1 1690287423 ACUNIFJBWVPBKB-RBUKOAKNSA-N 449.665 4.547 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ncccc2N(C)C)CC1 1690384122 FIQGEUHHEBWZKS-UHFFFAOYSA-N 434.613 4.545 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCCN2CCCC2)CC1 1690404721 PBOZZUDDFVBMJM-UHFFFAOYSA-N 429.012 4.662 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(Cc1ccnn1C)C1CC1 1690478419 WQDWEQKDODZNAD-UHFFFAOYSA-N 441.377 4.576 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1690553622 AMHZOIOQVPRAMC-QFIPXVFZSA-N 425.621 4.723 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCC1(F)F 1691001185 DVPKLJXGWQFUIG-PKOBYXMFSA-N 439.514 4.552 30 10 IJEE CC(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@](C)(C#N)C1 1692360644 FDPFJDWSCKAXLZ-NTKDMRAZSA-N 444.624 4.569 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 1692879554 HZJHKUCDIDLRJD-FUHWJXTLSA-N 444.352 4.834 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)CC(C)(C)C1 1693830554 FRZMQDAJLSMRIC-SFHVURJKSA-N 435.597 4.905 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@](C)(OC)C1 1705520685 BYRHJBVAESBDTL-SANMLTNESA-N 438.616 4.963 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)C(F)(F)F 1705577250 WNJOOIOJRAENFI-UHFFFAOYSA-N 429.273 4.913 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCC1(F)F 1705588341 CKCLYSZVBWLZTO-RTBURBONSA-N 444.501 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCN1CCCC[C@H]1CC 1705669460 NDAAUDDPVHSNEB-ZJSXRUAMSA-N 426.008 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CCC)CCc1cccs1 1705704587 WWUHYOGDNYJANH-IRLDBZIGSA-N 437.613 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[S@@](=O)C(C)(C)C 1705710493 MWENLSBMNGMLAQ-BJLXPSRBSA-N 436.597 4.507 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705757223 DJKDIGNSAXDIBX-UHFFFAOYSA-N 439.007 4.627 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2sccc2C)CC1 1705777299 DKQOSJGOHMRMSS-UHFFFAOYSA-N 432.391 4.856 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)COCc2ccccc2)CC1 1705783605 NGUZITHUNHSCSJ-NRFANRHFSA-N 431.584 4.519 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1705791833 FTXPZOPWFSOSHS-RBUKOAKNSA-N 430.618 4.631 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C)o2)n1CC1CCN(C(=O)OC)CC1 1705797967 HTUSNNROIBWWFY-UHFFFAOYSA-N 429.565 4.508 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1705803788 DKGGKBCENQHFTN-UHFFFAOYSA-N 430.600 4.797 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705813432 HPTRYTZTCOCIRS-YCRPNKLZSA-N 437.371 4.602 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(c2ccc(F)cc2)CC1 1705836078 DPFZKYSSCDNIDA-UHFFFAOYSA-N 444.352 4.539 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC(=C)Br 1705870109 CIALFMVYQUQNGL-UHFFFAOYSA-N 444.196 4.856 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705887046 KEWIAMJCGFYWLV-UNMCSNQZSA-N 436.556 5.000 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1722300547 ZYIFOQGAUHLLBU-STWLZBDKSA-N 436.600 4.728 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1ccc(OC(C)C)nc1 1722420830 JNHHMGJNNLUKJA-UHFFFAOYSA-N 449.574 4.876 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC2CCCCC2)CC1 1722562632 GTIOVFCSNDPHRN-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722587762 ZTOWRXISVGVWQR-RHGYRFJNSA-N 445.007 4.974 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1CC(CC)(CC)NC(=O)OC(C)(C)C)C1CC1 1722648634 VZGXBUGUQYEPIN-UHFFFAOYSA-N 442.608 4.522 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1722655371 KUPZNKHYEYRWRP-SEIBCYHCSA-N 449.599 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCSCC2)cc1 1722670646 SUOTWUTWZQZIPB-UHFFFAOYSA-N 425.646 4.647 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)N(C)C)C1 1726454070 FFPFAJHWCQPWKG-YOSAUDMPSA-N 434.632 4.810 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(C)(C)SC 1726983123 CIHJLPRUHBEEAL-SFHVURJKSA-N 426.634 4.522 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC2CCCCC2)CC1 1740574337 YNEUXDWMZRZXMM-UHFFFAOYSA-N 433.644 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCc1nc(C(C)(C)C)cs1 1740647970 AZIYWDWLFIUOAL-UHFFFAOYSA-N 445.636 4.967 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(COC)CC1 1740740722 HYVGMNKRBSUMFX-UHFFFAOYSA-N 443.748 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)CN(C)C 1740769839 WHVLODQJPWZNJX-UHFFFAOYSA-N 434.426 4.698 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CC1(SC)CCOCC1 1740770949 MJAGHBYBDPMQHT-UHFFFAOYSA-N 437.613 4.808 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(N(C)C)cc1 1740777260 SHHOSVQNEHTTQJ-DHIUTWEWSA-N 439.648 4.908 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1740784187 NKEQDLZSTWRWDG-LJQANCHMSA-N 442.677 4.691 30 10 IJEE C=C1CCN(c2nnc(-c3cccc4cccnc34)n2CCCNC(=O)OC(C)(C)C)CC1 1740821471 KBJCRISQCGXKMX-UHFFFAOYSA-N 448.571 4.565 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740866508 GFLCZPRVLVATDC-LJQANCHMSA-N 428.602 4.625 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740869367 LCLGGVWGKRNOKP-UONOGXRCSA-N 425.396 4.739 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740879818 RAPFBORSNUXVFQ-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1740883223 MTRDSUBUZMYVHX-XXBNENTESA-N 433.556 4.529 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1740885044 VJVHZWFOCNBENN-UHFFFAOYSA-N 445.489 4.896 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1740895241 VVLWCIZWXTYOSD-IBGZPJMESA-N 432.515 4.799 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@H](C)C1 1740921573 YVYHVGSAQGDJQC-KCZVDYSFSA-N 442.579 4.709 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCCC1 1740935841 YGEMFZZSXFJZQU-UHFFFAOYSA-N 433.600 4.956 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740944652 CCADQZSIKDJSIM-HXUWFJFHSA-N 439.604 4.777 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1748736237 LHKKKLANBYMTHO-IFMALSPDSA-N 432.572 4.523 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](C)c1c(C)noc1C 1748780579 CKRKFWJMGUMFAT-SFHVURJKSA-N 435.572 4.848 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(Cl)nc1 1749060127 JMHDGISJDCYRRE-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1OC 1749061026 IQCVXMORNBYDRB-DKZVUGQWSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749091102 XNKLFTIJVBRDOP-WBVHZDCISA-N 437.769 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1749120628 GTPHRSDUBFOUEE-FPOVZHCZSA-N 425.964 4.710 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749234914 KXLRCHACOTYELK-AREMUKBSSA-N 440.632 4.688 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749293696 FBPYKDSDJISHMI-KDURUIRLSA-N 443.039 4.906 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@H]1C 1749465065 MACVQHVCTOZIQL-RTBURBONSA-N 432.012 4.795 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1751086661 FVWNJSSEXFUSEA-MAUKXSAKSA-N 441.651 4.924 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1Cc1cccs1 1760304690 CTJNOJVGFDAAKV-MRXNPFEDSA-N 430.375 4.522 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1 1760318167 DSSDUESFDILDTF-GHTZIAJQSA-N 425.964 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1760339404 HLQDWBIUYGKJTA-FQEVSTJZSA-N 441.620 4.721 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1760343387 QOPIKAUNZASBQU-UHFFFAOYSA-N 431.588 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1760407534 GXWYFLVTONSFEC-UHFFFAOYSA-N 445.652 4.583 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CC(=O)N(C)C1CCCCC1 1760482278 DSIGHRWHFPLQGF-UHFFFAOYSA-N 449.643 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN(C)C 1760485653 LZLABVAIPVHSIF-UHFFFAOYSA-N 434.613 4.659 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1N(C)CCCC1(C)C 1760488652 AWXOGQJPYPYLGD-SIKLNZKXSA-N 441.595 4.856 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@H](C)CC#N)C1 1766077897 BVQVEUGIZFFVCB-QRVBRYPASA-N 440.661 4.602 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCOC1CCCCCC1 1768659315 DBHYASUXMMGCBH-UHFFFAOYSA-N 444.583 4.511 30 10 IJEE COc1cc(/C=C2\SC(=Nc3cccc(C)n3)N(c3ccccc3)C2=O)cc(OC)c1O 1772739030 UNMTXLLKQSRYPR-YUIYYNKLSA-N 447.516 4.921 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nccs1 1772739175 YMZPLTFZWKXULL-CLEIAUBXSA-N 426.479 4.935 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H](C)CC 1861216329 FLUZBCDQOUIRHZ-ICDZXHCJSA-N 443.676 4.906 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2F)cc1C 1862400363 CBSNJHQWQKXDHY-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCCCO)cc1 1862414973 MPENJNJSEGNZKE-QFIPXVFZSA-N 443.490 4.829 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862448350 LEHHPLMQHFKNSK-IBGZPJMESA-N 428.872 4.873 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccccc2C)cc1 1862515994 XFPYYKSWSMEMBN-HSZRJFAPSA-N 437.536 4.525 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2Cl)cc1 1862535191 BOOOMZIBIOQICK-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862558447 UUAPNGUUCABQBG-QFIPXVFZSA-N 447.491 4.646 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc3ccccc23)c1 1862562116 YBRGNALMFTUKBU-DEOSSOPVSA-N 435.483 4.596 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(OC)c2)cc1 1862686941 DBDKAESROVBQRL-QFIPXVFZSA-N 449.528 4.586 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(F)cc2F)C1=O 1862953181 JPWYDGLUDMYJEI-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3F)C2=O)cc1 1862970551 RETHSYGCJYYEIR-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CC(C)OCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccc3ccccc23)C1=O 1863224382 JQHFZGCGUHWFOZ-UHFFFAOYSA-N 439.515 4.719 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccc(C(C)(C)C)cc1 1865125895 VZUMYBFDJBVIRJ-QFIPXVFZSA-N 448.611 4.794 30 10 IJEE Cc1ccccc1Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC[C@@H](C)C1 1870348110 JLXGYNLIBRKTQG-OAQYLSRUSA-N 441.575 4.888 30 10 IJEE C=CCn1cc(OCc2cc(Cl)cc3c2OCOC3)c(=O)cc1CN(CCC)CCC 1870588511 LOIIZZPZWVTVDY-UHFFFAOYSA-N 446.975 4.755 30 10 IJEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)C1 1871353266 KCIPTEZAZDSOHD-LPKQHDGYSA-N 439.508 4.587 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCCc3ccccc3)ccc2C1=O 1871399111 DIYLVTRADLXKDL-QFEZKATASA-N 432.472 4.950 30 10 IJEE Cc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C1=O 1871420586 FDAPAVOVNVQECG-JJFYIABZSA-N 430.416 4.537 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871425293 HYXKIEMZMMEQCB-VRHSPDTKSA-N 449.459 4.627 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871427173 RKZGVHBJWDUQQB-XKZIYDEJSA-N 440.492 4.741 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871434386 SFKQHPNDTUEJFD-DKNZLLBESA-N 430.884 4.612 30 10 IJEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)o1 1871438971 AZGQMOIWVVZDNQ-JJFYIABZSA-N 449.415 4.948 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871841197 QRHCWRSFCFQJID-QHCPKHFHSA-N 444.597 4.803 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871896201 HXSNSHLLYQZBRD-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1cccs1 1872178938 REKISQBCGKFONS-IBGZPJMESA-N 436.599 4.521 30 10 IJEE NC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)C(=O)CN1c1cccc(O)c1 1872725977 DUFNRFPKWUZKQM-UHFFFAOYSA-N 425.513 4.899 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C(C)(C)C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874201767 SEPICAXTWLDKOF-YDZHTSKRSA-N 439.541 4.975 30 10 IJEE Cc1cccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCCCO)c1 1874217506 CWSYSCMZDKYAOW-ZMOGYAJESA-N 444.988 4.792 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccccc1[N+](=O)[O-] 1874241723 VWTLBSQIEMTMMI-HYARGMPZSA-N 441.513 4.548 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874303915 XWCWZEVCPUQTMG-OEAKJJBVSA-N 437.525 4.726 30 10 IJEE CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(Br)cc1 1874313330 PDLJIAFTRKAKQI-HYARGMPZSA-N 445.386 4.829 30 10 IJEE Cc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874362430 DZRJXONRACDFLI-WGOQTCKBSA-N 444.560 4.957 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1F 1874369946 ZNFUSGLYLJAFEK-FSJBWODESA-N 432.908 4.665 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccccc1Cl)Nc1ccccc1F 1874493490 PFINMJSBEVONHW-WYMPLXKRSA-N 443.935 4.951 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2)c1 1874511518 CGPADXCNOSSMGG-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE CCOc1cccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)C)c1 1874515449 XYWXPHHQHMEKNU-ZMOGYAJESA-N 448.552 4.624 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CC1 1874518554 ZCXFRCWPIKXSGU-MFKUBSTISA-N 447.564 4.642 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(C)cc2)cc1OCC 1874566665 ICIMGULWAUBXSH-LFVJCYFKSA-N 440.569 4.566 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)cc1 1874595136 WDSBGMRHCULNAD-QLKAYGNNSA-N 435.451 4.757 30 10 IJEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)ccc1F 1875141825 XLIWLWZJIVIJOU-BTZGUFSASA-N 433.273 4.877 30 10 IJEE Cc1ccc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)c(Cl)c1 1892138012 QKPGAYSFJJJXLC-SFTDATJTSA-N 427.957 4.552 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)c1ccc(Br)cc1F 1922075250 VFHZNMPNHOQVAA-VXKWHMMOSA-N 436.365 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C12CC2 1925703699 PLALJYALIPNGBU-XMMPIXPASA-N 427.545 4.859 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1999884576 URYDYPXMKOXSQZ-JPYJTQIMSA-N 431.533 4.728 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C#N 2010550809 SETHXRPEMBFRDG-FOIQADDNSA-N 443.931 4.649 30 10 IJEE Brc1ccc(N=C2N[C@H](C3CC3)CCS2)cc1I 2029985475 QRVOFEZYHZNAQZ-LBPRGKRZSA-N 437.144 4.546 30 10 IJEE COc1cccc(C=C(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c2ccccc2)c1 2040425579 ZCOYADDJLSPLFU-UHFFFAOYSA-N 440.499 4.726 30 10 IJEE C=CCC1([C@H](O)Cc2ccc(Cl)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2110516363 SOOQXTNSIBNMGB-CQSZACIVSA-N 448.760 4.958 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCCCN1Cc1ccc(Br)cc1C#N 2208034627 YIQAKNPJCMBKBZ-GOSISDBHSA-N 436.394 4.979 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(N)C#Cc1ccccc1Br 2235726951 FMAHRWNLAKRQRR-JTSKRJEESA-N 433.390 4.603 30 10 IJEE O=C(C#Cc1ccc(Cl)cc1)[C@H](O)c1cc(Br)c(Br)s1 2239556520 JXACJTVHNHJMNM-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cnc2C#N)C[C@@H]2CCCC[C@H]21 2240956413 AXLIEFYVYMDSQL-DHSIGJKJSA-N 435.366 4.696 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2262206516 OLNPSGXFFVRXCJ-RBBKRZOGSA-N 447.572 4.655 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267179471 QMXLDTKKDXSENT-INIZCTEOSA-N 442.365 4.790 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268742734 PSSKDKTZJKMWSC-RUZDIDTESA-N 448.607 4.860 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C1CCC1 2296222468 RZTFXPBPNUWFGP-PMACEKPBSA-N 435.406 4.862 30 10 IJEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 2297062005 DSWLGRSFPCNQID-JOCHJYFZSA-N 446.890 4.926 30 10 IJEE Cc1ccc(C)c(NC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)c1 2297378418 NWYJYUHUCHXDQZ-UHFFFAOYSA-N 442.537 4.990 30 10 IJEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)SC1=S 2314476083 IJCIMBSFTVUPCM-UHFFFAOYSA-N 433.558 4.935 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317355888 YGQQSAIEWZCYSU-ABSORMQESA-N 429.370 4.538 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2Cc2ccc(C)cc2)cc1OCc1ccccc1 2321968423 GXWCTCPDQGHRRX-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)cc1OC 2322708574 WPPSXCYMKBIKMM-UHFFFAOYSA-N 449.906 4.640 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2324983527 IZMANFMDIXCDPW-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC(=O)c1ccncc1 2325715705 CVRKTNDEIFHYMW-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)CCc1ccccc1 2325745076 UJZIKMAYRIMMDW-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE Cn1cccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1cccc(F)c1 2329174769 AHNOFZFTTFNDQT-UHFFFAOYSA-N 435.528 4.552 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccccc1 2331402969 MJKUYGYWXVDEET-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2F)c1C 2331491703 DVGOFEPONPCITA-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE C=C(C)CSc1nnc(C2CCC2)n1N=Cc1cc(Br)cc(OC)c1O 2331519353 OLHKOZZRGJBTEW-UHFFFAOYSA-N 437.363 4.573 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccccc1Cl 2331711613 JJFLEANFPMHZOS-MRXNPFEDSA-N 441.988 4.907 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)cc2)c(OC)c1OC 2331885371 SYSHCRIQKQUQLT-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C[C@@H](CN(C(=O)OC(C)(C)C)C1CC1)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585255 MMZMDLLACBQBRT-CLVCIHKQSA-N 444.381 4.893 30 10 IJEE CO[C@H]1CCC[C@@](C#N)(Cc2ccc(I)c(Br)c2)C1 2349877790 IZXWPIDCOMGMLF-SWLSCSKDSA-N 434.115 4.695 30 10 IJEE CO[C@H]1C[C@@](C#N)(Cc2ccc(I)c(Br)c2)C1(C)C 2349878901 WSILXLNYGNYJHO-DZGCQCFKSA-N 434.115 4.551 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H](Nc1cc(Br)c(C#N)cc1F)C2 2358592524 QRPRENXYVCHISL-PBFPGSCMSA-N 438.341 4.907 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)CC(C)(C)CCF 2377289190 AUWFRQXYCLUSBD-UHFFFAOYSA-N 428.195 4.566 30 10 IJEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCCC(=O)OC 2134234 YZOYYAGAGOZILB-LHVUSNKQSA-N 445.600 4.817 30 10 IJEE biogenic CC/N=c1\scc(-c2ccccc2Br)n1/N=C/c1ccc(NC(C)=O)cc1 12528787 MGKMETVGANQSSB-LDYSMASRSA-N 443.370 4.740 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)OC1CCCCC1 21078456 BORKHSSMVZQQJW-AWQFTUOYSA-N 428.345 4.526 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCCCC(=O)O)cc1 33411086 AZGFIOJAYMTYNX-ODTUPPAISA-N 433.504 4.618 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1)c1ccccc1 59020502 SQYJXXGFQAUOFK-QQXSKIMKSA-N 448.474 4.781 30 10 IJEE Cc1ccc([C@@H]2/C(=C(O)/C=C\c3ccccc3)C(=O)C(=O)N2c2cccc(C(=O)O)c2)cc1 102524431 NMIGIRWMBHLPAF-MXJXJQAASA-N 439.467 4.876 30 10 IJEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccccc2O)c1 169932299 HIEVXRUTVUSKTM-DEOSSOPVSA-N 429.472 4.503 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1)c1cccc(Cl)c1 170049667 QROCAOGNXPVKAV-QFIPXVFZSA-N 447.874 4.894 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103096 MNPWHKWOCZYPGN-NRFANRHFSA-N 438.443 4.729 30 10 IJEE COc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1Cl 170121907 CIOBQKCZNXAUSF-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3cccc(C)c3)oc12 170143657 QJNXCLUAQSDJNG-PGRDOPGGSA-N 447.487 4.507 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 170149645 OBXJLGWOGVDSSG-HSZRJFAPSA-N 449.547 4.534 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1c1ccco1 170294698 IYTSQMKPDOOXSI-KRWDZBQOSA-N 430.254 4.777 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccc(F)cc4)[C@@H]3c3ccco3)ccc2O1 170296869 VUNFVQPNWBZOLA-IQMFZBJNSA-N 447.462 4.563 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(C)o2)c1 170302074 CVRVNYOFHFEAIS-NRFANRHFSA-N 432.432 4.896 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(=NNC(=S)Nc3ccccc3F)c3ccccc32)c1 254296303 RPIBGUBSVFNTDV-UHFFFAOYSA-N 432.524 4.680 30 10 IJEE O=[N+]([O-])c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)c([N+](=O)[O-])c1 254824217 JSGKNZBINAPMSN-UHFFFAOYSA-N 434.437 4.863 30 10 IJEE N#C[C@H](c1ccc(I)cc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 310026929 VSJBBUBWKXHFHF-IEBWSBKVSA-N 446.288 4.557 30 10 IJEE N#Cc1ccnc(NC(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)c1 436014608 RZGDLDHZHMPGIL-IBGZPJMESA-N 426.245 4.614 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)o1 442141979 VLEWEFQMAWLCCN-BXWFABGCSA-N 425.554 4.778 30 10 IJEE C=CCC[C@H](NC(=O)N1CCCC[C@H]1CC(=O)NCC)c1ccc(C(F)(F)F)cc1 500106876 QDQVNDPVCHOFGL-OALUTQOASA-N 425.495 4.803 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 508902591 KXARBERDEJFGIW-HXUWFJFHSA-N 439.585 4.590 30 10 IJEE C=CCn1c(SCC(=O)NCCCc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 518827919 XIQPZHMTQLCBHS-UHFFFAOYSA-N 444.963 4.765 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1c(F)cccc1Cl 526827951 PMRDKCBMGSCXKA-MSXFZWOLSA-N 446.935 4.984 30 10 IJEE Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC(C)(C#N)CC5)C4=O)cc3)sc2c1 542788788 JLTYBSWGNXCDFT-FQEVSTJZSA-N 444.560 4.529 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N3CCC[C@H](C)C3)C2)c1 585963503 CFQFAZYGJVZJDR-UGKGYDQZSA-N 426.605 4.570 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C 586155404 BIEYYEZAFWZYBM-OXJNMPFZSA-N 432.973 4.990 30 10 IJEE Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)cc1[N+](=O)[O-] 609379014 NFPXEEIFHQBLCX-LLVKDONJSA-N 425.919 4.609 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Br)c1 698374408 KVKZWYLXRSDQHA-CQSZACIVSA-N 448.155 4.660 30 10 IJEE Cn1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Cl)c1Br 712434284 LAUSGISQKBLTNT-AWEZNQCLSA-N 425.714 4.842 30 10 IJEE C[C@@H](c1ccccc1)S(=O)(=O)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 737355475 RUZZCFNONUKKSH-KRWDZBQOSA-N 436.558 4.671 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 744028054 FBTCTKIHQRHVDT-SFHVURJKSA-N 447.514 4.616 30 10 IJEE CCc1cc[n+](/C(C(=S)N[C@H]2CCOc3ccccc32)=C(/O)c2ccc(C#N)cc2)cc1 762441148 VKLKXGKWXFKRBR-QFIPXVFZSA-O 442.564 4.733 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C 776799766 NMENAEMWMPYEMT-UHFFFAOYSA-N 442.519 4.733 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 917702826 VYBGTXVDCBELPE-JOCHJYFZSA-N 440.528 4.858 30 10 IJEE C#CCC1(C(=O)NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)CCCCC1 1125363706 OAEJZBIOLOQRHW-UHFFFAOYSA-N 432.564 4.645 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)cc1OC 1128523451 YYDMQCRPVKRUCE-VURMDHGXSA-N 425.435 4.591 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)Nc3nc4cccc(Br)c4[nH]3)o2)cc1 1133613108 DZEXSIJJGQRFMZ-UHFFFAOYSA-N 437.253 4.621 30 10 IJEE C#CCC1(NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)CCOCC1 1133709871 MIZMIQDDANRSHE-UHFFFAOYSA-N 448.346 4.883 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)cc1OC 1141168416 OUOFYQVQAGPYKS-UHFFFAOYSA-N 426.513 4.879 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1159428305 WEJCBBCUDBMYOA-OAQYLSRUSA-N 439.394 4.908 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSc1c(C)[nH]c2ccccc12 1159973642 IBHFUVGWGUHWPH-IBGZPJMESA-N 431.602 4.934 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C 1164480843 SMGZLRYCGKOYPB-GNXKAVGDSA-N 443.632 4.746 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc([S@](C)(=N)=O)cc2)cc1OC 1179640990 HGGRNWVOOOMAQI-RUZDIDTESA-N 425.348 4.670 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)CC(C)C)cc1)c1ccc(Br)cc1 1196738309 GKOJELSRXOIBGK-LJQANCHMSA-N 428.330 4.930 30 10 IJEE N#Cc1cc(NC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)ccc1Oc1ccccc1 1203838805 HRQDHABGJCGUPG-FQEVSTJZSA-N 425.847 4.998 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1230567028 ZPAOVXBULNTEBE-QZNHQXDQSA-N 441.934 4.593 30 10 IJEE C#CCN(C(=O)[C@@H](CC)OC1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1265209824 JSXUYIGSTUJMHY-WOJBJXKFSA-N 434.374 4.862 30 10 IJEE C[C@H]1CCCN(c2cc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)ccn2)C1 1272259854 HIEAXYSWSVLSOS-SFHVURJKSA-N 442.567 4.925 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1 1275431002 BRGDIAWFAFWRQN-AGHHOFFYSA-N 444.909 4.797 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1cccnc1)C(C)C 1286399776 NWXDJUYNUINGDN-VWLOTQADSA-N 437.591 4.656 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286500035 YIDCLSSOLFORPV-INIZCTEOSA-N 449.001 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286523277 SMFNQGDMNYJLJU-HHJKRLRDSA-N 443.636 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)[C@H](C)CC 1286528603 HPBJQFBMTZRVKZ-WZONZLPQSA-N 446.064 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1csc(COC)n1 1286569476 RFMINJJLZYYHNK-UHFFFAOYSA-N 447.992 4.661 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccccc1F 1286584550 MIOKYHVRFIJMBC-UHFFFAOYSA-N 432.341 4.788 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(N(C)C)CCCC2)CC1 1286651684 INTDCFXGHNNZDY-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1286747813 QDFRZSJTWXKRDH-UHFFFAOYSA-N 433.368 4.843 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC[C@@H](OC)C(F)(F)F 1286749061 IZJLKCRTFOQGSG-IAGOWNOFSA-N 444.523 4.741 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1csc(C)c1 1286763281 WAEJOXUPNCORCS-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286767661 XUPSLOUBPPNMEG-ROUUACIJSA-N 438.494 4.886 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 1286800938 TXWDFVPQUGCUJI-ZRBLBEILSA-N 438.616 4.833 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccs1 1288530193 DFHAODAMICFNJW-YQVWRLOYSA-N 429.634 4.974 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cc2sc(Nc3ccccc3OC)nc2s1 1297380408 YCZXMSBJWKGPRK-UHFFFAOYSA-N 430.599 4.690 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1CCN(CCC)CC1 1300349367 YNSWEPLDFCKCFI-UHFFFAOYSA-N 444.023 4.721 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1300391649 CSAMFVLXUAUWHK-UHFFFAOYSA-N 443.473 4.605 30 10 IJEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCC(C(F)(F)F)CC1 1300470279 KACAWEJZLVXVIK-UHFFFAOYSA-N 429.490 4.788 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2sccc2c1 1300565034 KCEYVVCVRPRTEE-UHFFFAOYSA-N 431.952 4.719 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCOCCCC 1300790808 WWENKZSQWBOALW-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@](C)(O)CCC 1300798417 OQSYNMUFIUUYSF-FTJBHMTQSA-N 438.616 4.913 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1CCN(CCC)CC1 1300815654 AAIOMFHOPKGTEV-HHHXNRCGSA-N 449.643 4.534 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1 1300886017 UXUWTKHJUUXWRT-WMZHIEFXSA-N 444.595 4.892 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301140663 AHIZVJPUGGTURN-IBGZPJMESA-N 436.560 4.631 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1csc2ccccc12 1301168082 LOMOCLJFLVGYCL-UHFFFAOYSA-N 437.613 4.960 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(COC)CCC1)C1CC1 1301316983 RFUVAWATUAVGJS-UHFFFAOYSA-N 449.368 4.818 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1CC1CC(F)(F)C1 1301406327 PENSPIHWXCDDNG-UHFFFAOYSA-N 428.483 4.827 30 10 IJEE C=CCSCCn1c(N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C 1301620037 BFCRTWZMHCNODO-IRLDBZIGSA-N 441.689 4.984 30 10 IJEE C=CCN(CCc1ccccc1)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1307444999 QOTADXRMMFHXPN-JOCHJYFZSA-N 427.386 4.984 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](CCc3ccccc3)C(F)F)n2)c(Cl)c1 1310465538 ANONDICAKCBDQP-KRWDZBQOSA-N 429.858 4.785 30 10 IJEE C#CCOc1ccccc1NC(=O)N1C[C@H](CCNC(=O)OC(C)(C)C)c2ccccc21 1310573567 OKFBJTVTXKMZAK-SFHVURJKSA-N 435.524 4.749 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 1310574390 YTBQWDLMLXUECH-IBGZPJMESA-N 441.572 4.638 30 10 IJEE C#CC1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3Br)nc2C)CC1 1312248093 UVWKCLXHMDXACO-AWEZNQCLSA-N 432.387 4.997 30 10 IJEE C=CCN(C(=O)C[C@H]1CC(=O)Nc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350510208 MBTHPVRMNKEAQU-MRXNPFEDSA-N 448.504 4.753 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3Cl)cc2C1=O 1353141897 PLECLIPFWVWXBI-JTQLQIEISA-N 437.710 4.920 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(Sc3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1357212173 IDPZNRYATLAFIY-XMMPIXPASA-N 437.565 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1CCCC[C@@H]1C 1358891693 LCEQEJZDCUDDQB-UXHICEINSA-N 428.024 4.635 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1358916337 IOSASXLQDASUQW-UHFFFAOYSA-N 436.531 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 1359116296 GFRMUZBUKHXVDL-QDMVCWPOSA-N 430.637 4.804 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCOc2ccc(Cl)cn2)CC1 1359163190 UQPGVZVASOFVDD-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1359175388 JUZPWMWLMCWUJX-OAQYLSRUSA-N 432.616 4.731 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CSCCS2)CC1 1359181383 QSQQTXBVZVLJJD-NRFANRHFSA-N 444.670 4.725 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1359181933 MVIJHLGBMZCROT-OAQYLSRUSA-N 441.595 4.519 30 10 IJEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1359224854 FFDNGZZAQDPHPM-SFHVURJKSA-N 440.617 4.830 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@H](C)C1 1359254013 BCABPGQEHHIJCP-SFTDATJTSA-N 448.615 4.595 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CC(C)(C)C(F)(F)F 1359275327 QNZGPFYRHILCKK-UHFFFAOYSA-N 430.478 4.559 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2SCCc3ccccc32)C1 1359321835 MFGGBTDZCOXFHB-TZIWHRDSSA-N 426.630 4.679 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1 1359341050 KGAPSGCHFDOQAW-UHFFFAOYSA-N 434.569 4.649 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1cc(Br)cn1C 1435558212 RHGYVMCTVDPUJH-UHFFFAOYSA-N 431.252 4.643 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(Br)cc(I)c1 1437612677 AWSCQEBGCJEJSB-XHDPSFHLSA-N 448.142 4.918 30 10 IJEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1Oc1ccccc1C#N 1454397602 CPICWRLDOMJQSF-RDPSFJRHSA-N 425.532 4.991 30 10 IJEE CS(=O)(=O)c1cccc([C@@H](Nc2ccc(C#N)c(Br)c2)c2ccccc2)c1 1458223305 CINAVWLEWKDXQY-NRFANRHFSA-N 441.350 4.926 30 10 IJEE COCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(OC)c(OC)c1 1465609835 HVIOPXIBGVJCEU-MRXNPFEDSA-N 429.542 4.640 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2 1470934808 QPZZEVVCEMDXJS-XMMPIXPASA-N 433.596 4.695 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1 1471245632 JUSXTYFRKXNDJA-NRFANRHFSA-N 445.604 4.991 30 10 IJEE C=C[C@@H]1OCC[C@H]1N[C@@H](C(=O)Nc1nc(-c2ccc(CC)cc2)cs1)c1ccccc1 1473480032 ZHUAPMVMPUCZLF-AKIFATBCSA-N 433.577 4.985 30 10 IJEE C=C(C)COCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1478180708 OKBLAMKMQBKFBS-UHFFFAOYSA-N 432.568 4.890 30 10 IJEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CC)CCCC2)C1 1501095905 AIEKKYDHXPCAQS-JOCHJYFZSA-N 448.615 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=C)Br 1507518275 KZFQUUCMGLGMKN-INIZCTEOSA-N 438.373 4.719 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2OCCC[C@H]2C1 1507944797 YWRTUTZSEBRUPQ-HNAYVOBHSA-N 449.368 4.818 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC(c2cnn(C)c2)CC1 1508107061 XVTUVYIRFXSICR-IBGZPJMESA-N 434.588 4.522 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c1 1520540116 ITHDYKCUQHUKQE-UHFFFAOYSA-N 426.472 4.690 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1C[C@@]1(C)Br)c1ccc2c(c1)OCO2 1523443810 SFSUNDRJYOFQFC-HTAPYJJXSA-N 444.325 4.687 30 10 IJEE C=CC1(CC(=O)N(C)[C@H](C(=O)OC)c2cc(OC)ccc2Br)CCCCC1 1528728868 SPLVOMITWXPYNH-IBGZPJMESA-N 438.362 4.657 30 10 IJEE C=CCC(CC=C)C(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1529254335 TVRGVXRXAHLSKN-NRFANRHFSA-N 442.556 4.950 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1 1529833288 TURRWTFCOLHSIX-OALUTQOASA-N 442.581 4.560 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1531441273 KYNWYWZDDXBWFF-UHFFFAOYSA-N 444.597 4.551 30 10 IJEE CSc1nc(O)c(C(=O)N2CCCc3c(C(F)(F)F)ccc(Cl)c32)cc1C#N 1537603793 QZKHAFPKLZIXDV-UHFFFAOYSA-N 427.835 4.646 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1537883390 MLOPZMCFQIXURU-RUZDIDTESA-N 428.573 4.576 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 1538750783 SSZUPIXGVNAXJT-QGZVFWFLSA-N 433.936 4.570 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCCOC1 1539051692 DYEBLMNJULOBKX-RTBURBONSA-N 426.630 4.798 30 10 IJEE CC(C)(C)c1ccc(C(F)(F)C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 1539378834 CVHQFPFJLFVOMT-NRFANRHFSA-N 429.486 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@]1(C)CCCS1 1539392790 XCXCSVRHIAWMDY-QHCPKHFHSA-N 440.613 4.995 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)c1cccs1 1539676013 HIYYJWFPYUJBGV-QHCPKHFHSA-N 426.586 4.537 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC(=O)N2CCCCC2)CC1 1539874382 MBFOYIOHLUYJCD-HSZRJFAPSA-N 435.616 4.625 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1540041799 DYXLWZYOPBVYEO-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCC1CC(OC(C)(C)C)C1 1540126587 LVDJZMZUWPLYFL-KOENEWCDSA-N 438.616 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC(F)(F)F)C1 1540884682 TVCNDOPIEGAWHV-CRAIPNDOSA-N 442.457 4.681 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 1543381893 QFDUCWYVULGTCV-MRXNPFEDSA-N 433.335 4.570 30 10 IJEE C=CCOc1ccc(CNC(=O)c2c(F)ccc(I)c2Cl)cc1 1544318165 AEBRNALQTZRVOV-UHFFFAOYSA-N 445.659 4.579 30 10 IJEE C=C[C@H](C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1)c1ccccc1 1556219924 RAFVOUORAOIRGN-PMACEKPBSA-N 444.369 4.935 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1557661104 HDAQQJTXFFWGOZ-FNZWTVRRSA-N 444.575 4.812 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2csc(C)n2)c1 1557715420 MZVDPKZLDYMAJA-QGZVFWFLSA-N 435.977 4.771 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)C(=O)OC 1558383928 YYYBTLUVLOUVJD-QGZVFWFLSA-N 431.945 4.677 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(Cl)c(Br)c(OC)c1N)c1ccccc1 1558718557 KPRKAPLRLXBRON-RUZDIDTESA-N 443.750 4.547 30 10 IJEE C=CCn1c(SCCCc2cncn2C)nc2scc(-c3cccs3)c2c1=O 1559317608 HJQNAPGVPNYNJW-UHFFFAOYSA-N 428.608 4.831 30 10 IJEE C#CCC1(NC(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)CCOCC1 1562564001 GJHHIUCEOFRLOW-UHFFFAOYSA-N 425.234 4.629 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 1564913169 HLRMPFCBPDXDGM-IBGZPJMESA-N 430.470 4.896 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 1564966097 VJWMZBNYGBTNBQ-UHFFFAOYSA-N 427.520 4.748 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@H]4C)[C@@H]3C[C@H]12 1565537375 RTGZNAKHJPYKJA-BACOVMOTSA-N 439.596 4.937 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 1570278903 DXXZNZNCJXWLBO-XMMPIXPASA-N 433.596 4.945 30 10 IJEE C=C[C@H](CC)CC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1585080758 ZSSPBWKOMNORGB-AABGKKOBSA-N 428.573 4.745 30 10 IJEE C#CCOc1ccc(C(=O)N2CCOc3c2cc(Br)cc3C(F)(F)F)cc1 1585287695 IESZQNYEGXBIMG-UHFFFAOYSA-N 440.215 4.519 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)C(F)(F)F)cc1 1587315764 WOXJMFAOKPLUIA-UZLBHIALSA-N 433.451 4.590 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1587723555 MYSQNYQSJHLQSW-UHFFFAOYSA-N 435.959 4.975 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1CCC(F)(F)CC1 1588276464 MOWSZHVEIWKKEV-UHFFFAOYSA-N 437.332 4.993 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCC(C)CC1 1589570354 UIFDAIADWKJQGW-XYWDMCIFSA-N 442.579 4.992 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 1594478575 VDTNJHNCZGEFQW-UHFFFAOYSA-N 441.929 4.885 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](CC)C1 1594572538 DUHRQUNGCJGLCR-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1594615582 KDMGARIZRBLPHZ-XMMPIXPASA-N 437.632 4.977 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1594704024 QFVKKJHLGLQIJN-UHFFFAOYSA-N 445.552 4.520 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CCN(C(=O)OC(C)(C)C)C1CC1 1595196477 UNVNHRFZJOUPMD-UHFFFAOYSA-N 441.551 4.662 30 10 IJEE C=CCOc1cccnc1C(=O)N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 1596391311 AQTODDPFPPJODD-KRWDZBQOSA-N 426.314 4.698 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1c(F)cccc1OC(F)F 1597282121 BNNSSXZKYNUJRU-JOCHJYFZSA-N 435.494 4.786 30 10 IJEE CCOc1c(Cl)cc(Cn2c([C@@H](C)CC)nnc2N2CCC(C#N)CC2)cc1OC 1616296678 HUUDXFSAEAGKOG-HNNXBMFYSA-N 431.968 4.641 30 10 IJEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC(C)(C)C 1616640555 DXTSSDTVFPSUDL-SFHVURJKSA-N 433.552 4.702 30 10 IJEE C#CCN(C(=O)c1ncc(C(F)(F)F)s1)[C@H]1CCOc2ccc(Br)cc21 1617599414 FNNIGWNURYNKLQ-LBPRGKRZSA-N 445.260 4.524 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCCC2(F)F)C1 1620347799 CUJVOPLKKZIZND-DENIHFKCSA-N 431.506 4.721 30 10 IJEE CC(C)(C)CC[C@@H](CN1CCN(c2ccc(F)cc2C#N)CC1)NC(=O)OC(C)(C)C 1621483601 ICERUJJQABSQBT-FQEVSTJZSA-N 432.584 4.539 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 1623170324 ICGFBKNUYHYNKG-SFHVURJKSA-N 431.305 4.839 30 10 IJEE C#CCN(CC1CC1)C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1623231211 XTTUSADDQDELAT-UHFFFAOYSA-N 438.593 4.579 30 10 IJEE C#CCOc1ccc(C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1 1624208349 HOZUSCBDVXDVHO-UHFFFAOYSA-N 449.934 4.566 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccnc(OCc2ccccc2)c1 1627609545 QBNXXYFUWDWPGF-UHFFFAOYSA-N 426.476 4.663 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1NC(C)=O 1631189600 FRDQBSSQSNUMQA-OAHLLOKOSA-N 449.857 4.638 30 10 IJEE C#CCN(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1632800448 DCYCTGJQVYYGPS-VWLOTQADSA-N 430.548 4.566 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1633060231 RQXSOQAEVVGWFI-CEXWTWQISA-N 440.506 4.898 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)c1ccc(F)c(F)c1 1634436179 VTEOKUCBKUGYFH-FQEVSTJZSA-N 448.583 4.863 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1637540483 XSIWHIYPLUZBPN-CVEARBPZSA-N 435.531 4.714 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(Br)cc2)nc2cc(Cl)ccc2c1=O 1640578182 NBZZTOSGLBUHAF-UHFFFAOYSA-N 449.757 4.973 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C(=O)OCC)c1ccc(Br)cc1F 1641557992 OPNBSGKJRQCFCX-FQEVSTJZSA-N 436.321 4.889 30 10 IJEE COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2=O)c1 1642684668 BEALQWDRARIEFV-DWXRJYCRSA-N 441.531 4.699 30 10 IJEE COc1ccc(OC)c(CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C(C)(C)C)c1 1644905283 HNLVWHYHRCQOPE-UHFFFAOYSA-N 441.597 4.755 30 10 IJEE C=CCn1c(SCC(=O)Nc2cncc3c2CCCC3)nnc1-c1ccc(Cl)cc1 1645388886 QLNSOUIXAQPWPX-UHFFFAOYSA-N 439.972 4.789 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCCCC1 1649540420 VREBWDGHOTVZGI-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1653193711 VAPMYYBQUDGFLW-FQEVSTJZSA-N 432.564 4.892 30 10 IJEE C=CCC[C@H](NCCOc1cccc(S(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1653911472 SHFFJDROPCUDMM-FQEVSTJZSA-N 427.488 4.785 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 1653954558 XQTGUILVNPHJHX-IBGZPJMESA-N 443.522 4.668 30 10 IJEE Cc1ccccc1C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 1654091271 AXNVPBVFEGXYFU-UHFFFAOYSA-N 430.552 4.744 30 10 IJEE C=CCN(C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1658259260 DKHSGRKUFWFQAO-QZNHQXDQSA-N 447.497 4.831 30 10 IJEE CCn1c2ccccc2c2cc(CN(C)S(=O)(=O)c3c(F)cc(C#N)cc3F)ccc21 1659598113 DKFLXGNNPMDKTN-UHFFFAOYSA-N 439.487 4.785 30 10 IJEE C#CCN(C(=O)Nc1ccnc(OC(C)C)c1)[C@@H]1CCOc2ccc(Br)cc21 1661007062 PMDWHVGCGBXDSI-GOSISDBHSA-N 444.329 4.622 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(Br)ccc1OCCC 1666613636 LAFDZRDMKQCLBD-UHFFFAOYSA-N 442.350 4.754 30 10 IJEE O=C(Nc1cc(F)ccc1OCC(F)(F)F)N[C@@H](CO)c1ccccc1C(F)(F)F 1667661611 ACRCUIZMBPBNRE-AWEZNQCLSA-N 440.315 4.641 30 10 IJEE CC(=O)c1ccc(NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 1667688119 GGDCXQJHHKGIML-RYUDHWBXSA-N 430.295 4.524 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 1669347117 QAXKMKWKZYAJJY-OAHLLOKOSA-N 435.293 4.930 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1(c2cccc(Br)c2)CCCCC1 1669825587 GFMMLLDYDWCZEJ-YLJYHZDGSA-N 435.406 4.931 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 1670326396 YWTWTQOYFCBWCH-VDGAXYAQSA-N 433.321 4.568 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1 1670376290 OSOZUAHUGWDFSZ-UHFFFAOYSA-N 431.411 4.698 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCC[C@@H]3c3ccccc3)CC2)c1 1673084794 ARYWXJBTPYNZBT-LADGPHEKSA-N 430.552 4.502 30 10 IJEE C#CCN(C(=O)NCc1ccc2occc2c1)[C@@H]1CCOc2ccc(Br)cc21 1674248028 XMABYMNVCHIPKZ-LJQANCHMSA-N 439.309 4.864 30 10 IJEE C=CC1CCN(C(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)CC1 1683206134 CORBCBCASDSMEH-UHFFFAOYSA-N 431.577 4.743 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1=CCCCC1 1689862515 AZUYLYVEPMEGBG-INIZCTEOSA-N 429.362 4.578 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@H](C)C1 1690038464 QGTHFIGYEZYFFW-PKOBYXMFSA-N 439.401 4.915 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1690062049 AQQLSTQLNQMJHO-PMACEKPBSA-N 428.024 4.816 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@H]1C 1690094305 YOBJUJAUNXNPJS-QYZOEREBSA-N 430.980 4.594 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCC[C@H]2CC)CC1 1690111768 JQCMZSUJNSGUPQ-RBZQAINGSA-N 449.643 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(F)c1 1690245913 OJPCZAYADIRHBU-GCJKJVERSA-N 430.568 4.632 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690276259 TUXRGKLEJMUQQK-LEWJYISDSA-N 439.604 4.842 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 1690406728 QASYQGGVCDYIPB-UHFFFAOYSA-N 438.457 4.681 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCOc2ccc(F)c(Cl)c2)CC1 1690413489 VHFSPUPXQWYZEM-UHFFFAOYSA-N 441.938 4.538 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1690415663 SYHVYRMRYSOVPN-SBUREZEXSA-N 432.996 4.710 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(F)ccc1SC)C1CC1 1690548489 CBJZVUCBDRVKFE-UHFFFAOYSA-N 429.590 4.698 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC2(C)CC2)C1 1690692353 WUCGLPAXCSNUKQ-INIZCTEOSA-N 431.378 4.679 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC(C)(C)OC[C@@H]1C 1690733432 FALFRVAAKCQVTO-AZUAARDMSA-N 444.645 4.958 30 10 IJEE CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1692857941 HKKXZGSPUBQAAJ-QHCPKHFHSA-N 427.980 4.670 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)C12CCC2 1696192176 FVDKAZXNQHHBSB-RBUKOAKNSA-N 429.515 4.646 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CSCCS1 1705505899 PKJKUPIWKGUIMU-RHSMWYFYSA-N 439.075 4.530 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(Br)s1 1705535735 WTACPMWNLGHNTP-UHFFFAOYSA-N 447.377 4.882 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1705537095 UIAARTFQHNMJTN-FQEVSTJZSA-N 444.963 4.714 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCC1(F)F 1705625327 GJLOFPZAUFLCCY-IBGZPJMESA-N 441.501 4.888 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705629640 PGENORVDMWYBNE-SFTDATJTSA-N 448.533 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@@H](F)C1 1705669379 KPZDYSVTPNECEY-RRMPHLOHSA-N 431.353 4.838 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCCC1CCOCC1 1705677769 AXRIMVPTDWXYBW-AREMUKBSSA-N 436.600 4.618 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cnc(C)s1 1705697750 NHCQKDXISJBOID-YLJYHZDGSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC1CC(F)C1 1705708649 FOUBZNBYLHEGCS-PZAKZLJNSA-N 442.579 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C)(C#N)CC1 1705710734 ZLFVAQOLYWIMDT-URXFXBBRSA-N 449.599 4.585 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1705748196 HJAYLLMOHPGRQE-QHCPKHFHSA-N 446.979 4.500 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)c2cccc(C)c2)CC1 1705776465 HEOUPNDTZQYUCM-HFZDXXHNSA-N 438.616 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1705787400 RGYNSXHAPPHUAN-OAQYLSRUSA-N 439.604 4.846 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1705804249 UQNNWMSEYQZDCP-VPTFNQTCSA-N 425.602 4.575 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1705820867 BUGZJNGSMFNJRZ-OAQYLSRUSA-N 441.938 4.601 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCNC(=O)OC(C)(C)C 1705862698 SQYKDJKNSZTLIO-UHFFFAOYSA-N 443.567 4.792 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N(C)Cc1ccc(Br)s1 1705913265 JKXDNLUCQPUQIQ-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCO[C@H]2CCCC[C@@H]2C)C1 1705916577 LOHADRANUSQHJE-BWAGFHJFSA-N 445.007 4.975 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)[C@@H]1C 1708133860 HYCJIKFDGDWXFC-LMMKCTJWSA-N 429.515 4.789 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1712792682 BSLDNHDMVGSXLD-GNBUJSLZSA-N 427.618 4.598 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1ccco1)N(CC)CC 1722274826 ALYVUTKORWLGJG-GGAORHGYSA-N 445.611 4.882 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOC)CCC1 1722277029 LBBNLBIGFDSPTH-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1(COC)CCC1 1722281069 MAZIVCJHDNAJRZ-MSOLQXFVSA-N 426.630 4.796 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1722330675 VZOOWLUAYGJKNH-UHFFFAOYSA-N 437.632 4.704 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1722407871 UYNJRGZVAMKHQB-IBGZPJMESA-N 442.629 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C[C@@H]1CCCO1 1722584836 KDUMEMDQULFCTF-INIZCTEOSA-N 436.398 4.643 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722606150 FZJIBXLMHMQULQ-VXKWHMMOSA-N 425.621 4.749 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@H](C)C1 1722655529 GJCPWHSWWDXNPE-FPOVZHCZSA-N 430.556 4.554 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1sc(C)nc1C 1722663564 BGKBFNBFSFPGTB-GOSISDBHSA-N 429.615 4.895 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CC[C@H]1C2)C(C)C 1722664853 IKTKUUPTKICULT-JBACZVJFSA-N 441.023 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1Cc1ccc(NC(C)=O)cc1 1722677280 ZBQHZYUPZBOOFP-UHFFFAOYSA-N 433.556 4.771 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(OCC)CCCC1 1740538953 LTXPORFRNNBEBY-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)c1cccs1 1740605220 PGCITKUMMQJQAT-UHFFFAOYSA-N 438.597 4.850 30 10 IJEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CC1CCC(C(F)(F)F)CC1 1740643545 NYFPHXWZEGULAD-UHFFFAOYSA-N 428.502 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOCC(=C)C 1740724571 ASRWJWQTMFMMJB-FDDCHVKYSA-N 428.964 4.656 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1740814929 IHMRCUFXBNYMDV-LPHOPBHVSA-N 441.790 4.938 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)c2ccco2)CC1 1740836348 JDRUADBTFFDRJG-HSZRJFAPSA-N 442.947 4.510 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nccn2C(F)F)CC1 1740839887 PSWBTBJHEXNRRJ-UHFFFAOYSA-N 432.906 4.565 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@H]1C 1740858629 WHLPWBKTBUHPQH-CABCVRRESA-N 438.439 4.733 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCCC1(C)C 1740921979 PRCKACQRWCQQOS-DEOSSOPVSA-N 437.613 4.844 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(Cl)c1 1740942131 CWSUCGSWTGLBGI-WOJBJXKFSA-N 432.996 4.537 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(F)cccc1Cl 1741135934 GGRXPTRJXIZZAB-QMTMVMCOSA-N 433.959 4.633 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCC2CC(OC(C)(C)C)C2)c1 1742349283 DLAPCNGBNHIMQV-YMISUZCDSA-N 439.604 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOCC(C)C 1748646522 AMEYMORNDQTGQZ-HXUWFJFHSA-N 433.600 4.873 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1 1748687088 BSKCEQPXMVNSJZ-GOSISDBHSA-N 446.064 4.804 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1748983657 XHCBTAZIZITZAJ-RTWAWAEBSA-N 445.533 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncccc1C 1749058680 OJHXCDZJJPATBK-JOCHJYFZSA-N 426.351 4.996 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N(C)CC1CC(F)(F)C1 1749098658 IRQBCIRQIGKLBW-UHFFFAOYSA-N 431.712 4.989 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1749132948 GBDSRHPTQLRZOS-LGVFNWMJSA-N 426.580 4.862 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccsc1 1749170251 IQGOAEYWTVTZSB-IBGZPJMESA-N 441.988 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1749368055 ACBMHOOXGKBZIP-QFIPXVFZSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1Cc2ccccc2O[C@@H](C)C1 1749373634 PNCFQROXTVXRAH-FQEVSTJZSA-N 434.588 4.530 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 1749385005 LCFQXKPHGYSUKY-VXKWHMMOSA-N 432.616 4.954 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1749393083 JQPMMVQIUUZQNH-QHCPKHFHSA-N 428.602 4.652 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749407976 BOAWWEDMMOYACU-XMMPIXPASA-N 430.568 4.994 30 10 IJEE COCC1(Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@H](C)C#N)CCC1 1749409802 ADHWLWQDCUGUDU-QGZVFWFLSA-N 427.618 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCN1CCCC[C@@H]1C 1749471450 NXHZGKGDOLRGQW-FQEVSTJZSA-N 433.604 4.612 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1Cc1nc(C(C)C)cs1 1749532140 QZCKPUCZHLGLMC-UHFFFAOYSA-N 432.597 4.923 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(SC)c1 1749538588 LMJWBGRYMRHSBX-OAQYLSRUSA-N 435.597 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN1CC 1749553814 MCKUWRHOEQOKHJ-NRFANRHFSA-N 439.604 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCOc1cccc(C)c1 1749554430 SMCRYYUNOPVAOQ-FQEVSTJZSA-N 438.597 4.814 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)C(C)C 1749557046 FUFOZDCLZIHCST-WMTXJRDZSA-N 436.648 4.988 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](C)C[C@@H]1CC 1749652781 SIOYSRVTIBXBLW-GJZGRUSLSA-N 444.004 4.740 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(N(C)C)CCCCC2)c2ccccc2n1 1751415171 HYHOYKJBEKGFNO-HXUWFJFHSA-N 445.615 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1c(C)coc1C 1760103299 CIDYVEMOZVRNLD-HNNXBMFYSA-N 427.346 4.732 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1scnc1C 1760135256 OSWJFBATOQWGSA-UHFFFAOYSA-N 432.553 4.805 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1(SC)CCC1 1760291434 OJDCJAABGVVAAZ-OAQYLSRUSA-N 431.005 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCc1nnc(C)s1 1760331157 RKNCVBNCMOFNDR-UHFFFAOYSA-N 447.406 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760339851 YPNWXZBZBAYHTG-UHFFFAOYSA-N 433.604 4.659 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCOC[C@H]2C)CC1 1760386476 ZSXCFCSYMOGWAB-SJORKVTESA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1760405010 PNLQINWKKWPGRG-JOCHJYFZSA-N 443.586 4.994 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2(C(C)C)CC2)C1 1760541069 URVRJZZABMNBAL-KRWDZBQOSA-N 445.405 4.925 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCO[C@H]1CCCC[C@H]1C)C(C)C 1766509950 CUEGKWGKSXJSKH-KNQAVFIVSA-N 425.577 4.559 30 10 IJEE Cc1c(C(=O)O)sc2nc(-c3ccccc3Cl)n(Cc3cccc(C#N)c3)c(=O)c12 1857802805 MLGNXTIXWAPHSU-UHFFFAOYSA-N 435.892 4.705 30 10 IJEE CCc1c(OCc2cccc(C#N)c2)c(=O)ccn1C1CCN(Cc2ccccc2)CC1 1857912467 KZZSXKHGNACVIL-UHFFFAOYSA-N 427.548 4.698 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862519932 WPVCNTYOCNTFTE-VFNWGFHPSA-N 438.480 4.760 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862592243 YKDSZFZUPAFVDU-LJQANCHMSA-N 425.893 4.886 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862596454 UANAWUGOGRDZIX-NRFANRHFSA-N 430.485 4.714 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862674489 YNGGKMIUXSBZAM-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 1862677328 DCDGSNUAIVAVFI-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862690603 CCNRFHXVKNMHKC-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862737429 WYYAMDUNJROGDJ-OAQYLSRUSA-N 432.407 4.512 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863101605 WGKBSGFNHBWPEU-UHFFFAOYSA-N 442.544 4.863 30 10 IJEE CC(C)CCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(Br)cc2)C1=O 1863199233 JUHOFBJIVBKYEV-UHFFFAOYSA-N 438.325 4.559 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2Br)=C(c2ccc(OC(C)C)cc2)C1=O 1863362600 XAJWFOFEIRNSBX-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867132384 RKHJSHLMNIQIOR-XUZZJYLKSA-N 447.485 4.892 30 10 IJEE CC(C)c1ccccc1OCCCC(=O)Nc1c(C#N)nnn1-c1ccc(F)c(Cl)c1 1870158478 YSBSACSTLBRZCH-UHFFFAOYSA-N 441.894 4.853 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870562476 IDLGLTOXWRIJIP-UHFFFAOYSA-N 440.587 4.672 30 10 IJEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870602201 RMOYXPBEQQQPAC-HZPDHXFCSA-N 437.367 4.529 30 10 IJEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCC(O)CC1 1870691460 FZFUELQQSVDSJP-UHFFFAOYSA-N 440.628 4.787 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1c(Cl)cccc1Cl)C3=O)CN(CCN(C)C)CO2 1871352395 GKURMDWWQZQZIW-GRSHGNNSSA-N 433.335 4.632 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)s1 1871425534 LWLZXBFOODNGGQ-BDBXIWDTSA-N 449.532 4.821 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)s1 1871426195 VLLXKSROVHOENL-NFBGKYEXSA-N 449.532 4.821 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)c1 1871426793 YOOPEXDHOCYUAD-YSUUHWHMSA-N 431.444 4.813 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871982482 DMAYTRCZZAVGCI-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872098548 KIFVUAJPLBPRTR-NRFANRHFSA-N 445.972 4.661 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872569822 XDTVFMGYYLNLEK-JOCHJYFZSA-N 444.597 4.605 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(Cl)ccc1OC 1872604926 HYBIPYSKYHYOTO-SFHVURJKSA-N 447.041 4.518 30 10 IJEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 1872767973 GRTCRRFGWMAZGS-QGZVFWFLSA-N 436.493 4.673 30 10 IJEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)cc(OC)c1OC 1872771267 QHNNQOAPPMABCD-PSKZRQQASA-N 426.519 4.787 30 10 IJEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1Cl 1872773665 ULQHYMQXPIVRDO-HNNXBMFYSA-N 426.881 4.756 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c(OC)c1 1872781132 PHCSNZIIHQTUCH-IBGZPJMESA-N 436.533 4.872 30 10 IJEE C=CCn1c(C(=O)Nc2cc(NC(C)=O)ccc2C)cc2c(NCCC(C)C)ncnc21 1873611006 IIQYKVSOMKOTDA-UHFFFAOYSA-N 434.544 4.594 30 10 IJEE C=CCOc1ccccc1OCC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 1873719284 PVKYPJPMHWUSCA-JOCHJYFZSA-N 427.504 4.607 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1ccncc1 1874311055 AUWZOKBJNDDEHF-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874388690 ZTAPWOCHUDDWNZ-VULFUBBASA-N 448.523 4.902 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 1874416911 OJELYDFXCKAUAE-XIEYBQDHSA-N 443.532 4.994 30 10 IJEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2)cc(OC)c1O 1874438719 PEXRRUBAUFWVON-ZVHZXABRSA-N 440.569 4.764 30 10 IJEE COCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1cn(C)c2ccccc12 1874472829 ZAFIRYOFFWQYFI-ZMOGYAJESA-N 439.972 4.787 30 10 IJEE COC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(F)cc3F)cccc2OC)o1 1874576551 SDIWPRFQESPVMW-UXBLZVDNSA-N 428.387 4.828 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)c1ccccn1 1874697661 JPYRGPXKGMHCRC-CSKARUKUSA-N 438.277 4.968 30 10 IJEE O=C(Cc1ccc(F)cc1F)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874706463 JIHITQSRVQYSIF-XBXARRHUSA-N 436.410 4.780 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)[C@H]1CCCO1 1875137136 XTEROTVYDRKPDY-QPGLYAHGSA-N 445.309 4.747 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@H](C)CN(Cc2ccccc2)C[C@H]1C 1921506276 BUUSRSWBXLEKPH-FYYLOGMGSA-N 448.460 4.637 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)NCC 1984704839 XNCQULVBVKUXPQ-OALUTQOASA-N 430.511 4.831 30 10 IJEE N#Cc1ccc(Br)cc1N[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2043997273 IANFRKVWFBCIRM-HXUWFJFHSA-N 440.341 4.924 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2Br)cc(Br)c1O 2053606856 UREKAHILFWCXOD-UHFFFAOYSA-N 430.067 4.961 30 10 IJEE C=CC[C@@](C)(Nc1ncc(I)cc1Br)C(F)(F)F 2069534115 QKHMLBYVVPKXCN-SNVBAGLBSA-N 435.025 4.758 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2I)c(F)c1 2080034087 AAAJFIIPEFPNBR-KRWDZBQOSA-N 441.288 4.876 30 10 IJEE C=CC1(NC(=O)c2ccc3cc(Br)ccc3c2)CN(C(=O)OC(C)(C)C)C1 2196129620 OWWMXKFRQFZJKV-UHFFFAOYSA-N 431.330 4.508 30 10 IJEE C=CC[C@](C)(O)[C@@H](NC)c1sc(Br)c(Br)c1Br 2216393832 MIEOIVDQZGTVNW-ONGXEEELSA-N 448.018 4.623 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2ccc(Br)cc2C#N)(C(F)F)CC1 2227498028 VEPSJQZDBDPOAH-UHFFFAOYSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@@H](O)CC#C[Si](C)(C)C 2229097179 YXRPMIMOPLUBKC-ROUUACIJSA-N 440.454 4.517 30 10 IJEE CCCN[C@H](C#Cc1ccc(C)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2231140383 MNADZHOFADIJQZ-FTJBHMTQSA-N 449.639 4.740 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCCCN(C(=O)OC(C)(C)C)CC1 2261830374 WSGDHAQGIYNIIL-VWLOTQADSA-N 447.572 4.801 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)c(F)c(Br)c(F)c1F 2267837753 LGMAJUMGTWHKQD-GLEZIHRCSA-N 441.263 4.735 30 10 IJEE C=C(CN(C)C(=O)[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 2268639383 OHROCXMKLXUXNK-QGZVFWFLSA-N 444.381 4.783 30 10 IJEE C#CCN1C(=O)SC(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C1=O 2293345745 STEVWDHDXXJPBT-UHFFFAOYSA-N 446.297 4.837 30 10 IJEE Cc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(=O)O)c2)cc1 2296115855 NMIGIRWMBHLPAF-DEOSSOPVSA-N 439.467 4.876 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC1CCC1)NC(=O)OC(C)(C)C 2296221611 KEEMFIKEUNAZOO-PMACEKPBSA-N 435.406 4.862 30 10 IJEE C[C@H](C[C@@H](O)C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296281790 OICDVEUYWCKCPG-POAQFYNOSA-N 436.390 4.835 30 10 IJEE N#Cc1cc(N2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N3CCCC3)C2)ccn1 2296584828 RNSSEGBTUPBYOT-MUUNZHRXSA-N 436.559 4.682 30 10 IJEE Cn1cc(C=C2Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)c2ccccc21 2296871750 BBSYEDDCGJFDFH-UHFFFAOYSA-N 431.469 4.562 30 10 IJEE O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)C1=C(O)c1cccs1 2296927116 RTJQYORUCBOHPM-YVEFUNNKSA-N 438.332 4.656 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 2314477662 KHMYYZLBHURGOM-DEOSSOPVSA-N 440.455 4.773 30 10 IJEE CCN[C@H](C#C[C@@H]1CC1(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2317315154 GFWXCMIFTQLOBL-DHIUTWEWSA-N 439.644 4.574 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccccc1O 2318581998 HXDUWWGNMNCXSD-UHFFFAOYSA-N 442.541 4.659 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2321193304 QGLSYEXMLUXLFX-CYBMUJFWSA-N 448.379 4.745 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2321993803 HQZPIITYODLKNG-UHFFFAOYSA-N 447.462 4.681 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccccc2C)cc1OCC 2322170849 MYZCTZSPBJUXIH-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)OCCO2 2322671360 SMTUSWQYDCZKRA-UHFFFAOYSA-N 445.515 4.754 30 10 IJEE CCCCCOc1ccc(C=NNc2nc(O)c3c(n2)CCN(Cc2ccccc2)C3)cc1 2323272109 CIJQMPNMLCAPLH-UHFFFAOYSA-N 445.567 4.756 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Br)c1OCCCO 2323767547 ODVWPJBWIFMQII-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE COc1cccc(C=C2Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c1OC 2324054903 GAZXWKRZHYMZKP-IYBDPMFKSA-N 437.536 4.812 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc(Cl)c1OCC(N)=O 2324221015 HUGMNWOKCXQWGI-UHFFFAOYSA-N 445.943 4.805 30 10 IJEE Cc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c(C)c1 2325745433 PKMCBCZDNUJCRT-UHFFFAOYSA-N 444.483 4.955 30 10 IJEE CCCCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1cccnc1 2326625571 VDHIZLINHNTHSY-UHFFFAOYSA-N 430.375 4.953 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1O 2328056547 QSOMAEFMJJWDDB-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE CCCOc1c(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SC)cccc1OC 2329065349 JAPGRIUAPMAHJF-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2330883090 JSCVIHWNJUEOKC-LJQANCHMSA-N 428.945 4.966 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2C)c(C)c1 2331005328 WRUTVCRHVFTWQQ-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2ccc(F)cc2)c(OC)c1 2331051932 BZBWCEGSJWZACA-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(CC)cc1 2331222337 HATFMOKXKMQNPE-UHFFFAOYSA-N 439.585 4.723 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 2331400767 SVPOQFHGTZQGDV-UHFFFAOYSA-N 449.390 4.620 30 10 IJEE CN[C@H](C#Cc1nc(C)cs1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2338373264 ZXYJOSCACRZOTG-OAHLLOKOSA-N 436.375 4.873 30 10 IJEE COc1ccc(CC[C@@]2(C=O)CCCCN2C(=O)OC(C)(C)C)c(Br)c1 2339386760 QDEJGQZYCDSZOW-HXUWFJFHSA-N 426.351 4.749 30 10 IJEE C=CCN(CCC(=O)CCc1ccc(OC)cc1Br)C(=O)OC(C)(C)C 2339453073 OLHWECBLFLPJBQ-UHFFFAOYSA-N 426.351 4.773 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339588806 NXOOUVQGVZFIMB-UBJZUDALSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@@H](O)C#Cc3cccc(Br)c3)(C2)C1 2360196475 RJXFROCEQCTLLL-ZWCUEREDSA-N 434.374 4.589 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1Br 14669307 YASBFIDADHFIDZ-SFHVURJKSA-N 432.314 4.824 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)c(OC)c1 18706031 QBQSJSUGAXBVLG-UHFFFAOYSA-N 437.496 4.957 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1cccnc1 20829948 DDIBQUHHGXAQSY-UHFFFAOYSA-N 433.459 4.666 30 10 IJEE COc1ccc(OC)c(/C=C2/Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)c1 33453038 CNKGYIYODVRMDX-YDZHTSKRSA-N 432.428 4.548 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(F)F)c(OC)c2)cc1CSCC(=O)O 33499591 ZFLUZVGSZLALOP-UTCJRWHESA-N 438.448 4.519 30 10 IJEE N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1[N+](=O)[O-])CC[C@H](c1ccccc1)C2 35174199 BQGLFGYTAJLDFR-KRWDZBQOSA-N 444.516 4.865 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc(O)c(OCC)c2)C1=O 36258505 PTNJGHXBCQAHME-LDADJPATSA-N 445.924 4.988 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1cc(F)ccc1F 78605662 XERWQVBAKNJMRB-CYBMUJFWSA-N 433.455 4.824 30 10 IJEE CCOc1ccccc1/C=C1/Oc2cc(OCC(=O)OCc3ccccc3)ccc2C1=O 103023751 HKPNQLFQNWHMOZ-ZVHZXABRSA-N 430.456 4.824 30 10 IJEE Cc1nn(-c2ccc(C(=O)N[C@H](C#N)c3ccc(F)cc3F)cc2)c(C)c1Br 111220535 SIXSTHCBOFSVDA-GOSISDBHSA-N 445.267 4.525 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccc(O)cc2)c1 169958969 ZOGGJCYAAIAMDI-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(O)cc2)cc1 169959789 KJHOVOOYSGSOOL-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 170031453 SPLRWEOJNONDPU-XMMPIXPASA-N 431.488 4.776 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1cccc(OCC(C)C)c1 170040202 CDWVRTFKZDQIDH-HSZRJFAPSA-N 437.536 4.563 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170065455 VMDQYKMUSMZOHR-QHCPKHFHSA-N 447.437 4.678 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1cccc(OC)c1 170121271 GQDTXEWTXKVUBC-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(N(CC)CC)cc1 170138876 ZUNJAALQRKVDRO-XMMPIXPASA-N 448.563 4.846 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170186321 YTIKVUIWYVARMY-LJQANCHMSA-N 441.270 4.877 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(C)c(Cl)c1 252605686 GLWYDOGHYHVBSF-GOSISDBHSA-N 431.945 4.637 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1C12CC3CC(CC(C3)C1)C2 253575941 VFOZBGVBEWOSMV-UHFFFAOYSA-N 438.597 4.671 30 10 IJEE CC[C@@H](C)NC(=O)c1c(N)n(N=Cc2ccc(C(C)C)cc2)c2nc3ccccc3nc12 254300836 QVNQXTKUNKDKOV-MRXNPFEDSA-N 428.540 4.701 30 10 IJEE Cc1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3N=Cc2cccc(C)c2)cc1 254385603 ZQJRQQIXUSXKGR-UHFFFAOYSA-N 444.498 4.783 30 10 IJEE C=CCN(CC=C)[C@@H]1CC(C(=O)OCC)=C[C@H](OC(CC)CC)[C@@H]1N(C(C)=O)C(C)(C)C 301054740 IFQIYQMUGWXRFJ-TZRRMPRUSA-N 448.648 4.512 30 10 IJEE N#Cc1cccnc1N1CCCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1 302035199 UGPCOWDXAXJVPA-UHFFFAOYSA-N 442.748 4.634 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC(CC)(CC)NC(=O)OC(C)(C)C 394253449 VVOMEOHSBDECLV-UHFFFAOYSA-N 439.394 4.634 30 10 IJEE CC(C)[C@@]1(C)CSC(=Nc2cc(I)ccc2Br)N1 398496172 IACAJJOLJRLDIJ-CYBMUJFWSA-N 439.160 4.792 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3c3ncnc4ccccc34)cc2)cc1 442466505 MQDLKAJBWSLLSB-DEOSSOPVSA-N 435.487 4.901 30 10 IJEE C=CCN(C(=O)[C@H]1CSCN1C(C)=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 494111165 FOADSJYNLPCTMH-MRXNPFEDSA-N 442.393 4.557 30 10 IJEE C=CCOc1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1OC 501735221 NHDGQMAVXFWOTA-OAQYLSRUSA-N 446.551 4.615 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 508816322 HWLXDMYKFLIBBR-LJQANCHMSA-N 443.320 4.611 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 508934883 LKIDRWRUBHSBCW-INIZCTEOSA-N 449.521 4.529 30 10 IJEE C[C@@H](NCC(=O)NCCc1cccc2cccnc12)c1ccc(-c2cccc(C#N)c2)cc1 542015143 NMPIJTLBRZQWJF-HXUWFJFHSA-N 434.543 4.783 30 10 IJEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 549265783 KXQWERIJYOHSDW-UHFFFAOYSA-N 425.483 4.551 30 10 IJEE N#Cc1ccc2c(c1)N(C(=O)c1cccnc1Oc1ccc(F)cc1Br)CC2 550520942 UULCNWDFDVWNPZ-UHFFFAOYSA-N 438.256 4.850 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccs2)cc1 619853910 GGRNLWNCVTUDJO-QHCPKHFHSA-N 439.560 4.706 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669810420 CJOUYCQBEVJNEO-UYAOXDASSA-N 440.979 4.912 30 10 IJEE C=CCC1([C@@H](NC)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 722942394 SABNPZKISCSYKN-INIZCTEOSA-N 431.321 4.801 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F 727233172 HYHUDHLVKQSNTM-WMLDXEAASA-N 432.442 4.945 30 10 IJEE C/C(=C\C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 749621154 SSDWLCNJQRPVMM-NRJHKNTJSA-N 445.466 4.521 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(C3CC=CC3)C2=O)cc1 759689757 CEKZGHRRBCABKZ-QFIPXVFZSA-N 447.560 4.877 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](C(C)(C)C)CC1 809926861 UIXZXZULCDNAQV-HXUWFJFHSA-N 425.577 4.543 30 10 IJEE C[C@@H](OC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 919509917 FABRXJCQBLOHPW-VXGBXAGGSA-N 434.970 4.813 30 10 IJEE CN(CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(=O)OCc1ccccc1 1124238610 AYLYRFUQACGJNE-KRWDZBQOSA-N 439.581 4.978 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)c3cc(Br)ccc3OC(F)F)CC2)cc1 1127722826 HBZSBQLLNQLHAX-UHFFFAOYSA-N 433.252 4.852 30 10 IJEE C=CCCCCCCNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1128748526 PYYJISOYFXCQKK-UHFFFAOYSA-N 426.582 4.694 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)CCCN1C(=O)OC(C)(C)C 1128939932 QCVXEMQRYRQVDI-SANMLTNESA-N 449.551 4.585 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 1136915484 GALNPBVEOPMBAF-VXNXHJTFSA-N 445.563 4.819 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 1144004102 RQDBCQDUIPKEGF-ZIAGYGMSSA-N 432.735 4.710 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 1147119759 SIZTWFBPJLMVPK-YLJYHZDGSA-N 446.979 4.702 30 10 IJEE CCc1ccc(CN2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)CC2)cc1 1153436065 AAZCMLYVNWJJQF-UHFFFAOYSA-N 439.559 4.658 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccccc3)C2=O)nc2sc(C)c(C)c2c1=O 1164583683 BFFCGTWYVXWMBX-KRWDZBQOSA-N 425.579 4.549 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 1165650659 MTLDXHACDYLNLM-CNNODRBYSA-N 428.573 4.837 30 10 IJEE CC[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1187798848 BPKKSDUIZGIXMC-RTBURBONSA-N 433.371 4.668 30 10 IJEE O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCc2cccc(C(F)(F)F)c2C1 1193331799 HGYPOYIZXXBDSA-UHFFFAOYSA-N 427.341 4.610 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1 1230625042 NDMMJVLOPVESQF-WIYYLYMNSA-N 431.374 4.607 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H](C)SCc1nc(O)c2ccccc2n1)c1ccc(F)c(F)c1 1269600326 NNVHDZYKJRKTJK-XCLFUZPHSA-N 429.492 4.669 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCCCNC(=O)OCc2ccccc2)C(F)(F)F)cc1 1272442110 AUCPSWUDMHFVFA-OAQYLSRUSA-N 433.426 4.911 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)Cc1cccs1 1286368967 XBRNMQIUKOAJNP-ZDUSSCGKSA-N 435.416 4.779 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCC1(COC)CCC1 1286440878 MNJJMECIFXTFHX-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1286499658 NVAPYGXOXYLPIO-CTNGQTDRSA-N 449.624 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccc1C 1286515851 PJMJOHVETKGIRI-JOCHJYFZSA-N 438.373 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1cc(OC)ccc1OC(F)F 1286524539 FAKSZGGMQOIJLG-HSZRJFAPSA-N 430.499 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSCC1 1286549064 CZLWEZZUUBAMIP-KSSFIOAISA-N 439.412 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1Br 1286553825 GFGNNFUJGYGCGE-ICSRJNTNSA-N 445.405 4.926 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1=CCCOC1 1286583518 OMSIRACVGIIYQQ-UHFFFAOYSA-N 437.371 4.913 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1286607528 RILVSGCVRUCPLA-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1286637561 HLYXHQIIBUMDQI-HSALFYBXSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCN2CCC(C)CC2)CC1 1286655693 QOPAZQYYRWXQQS-UHFFFAOYSA-N 437.632 4.868 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](SCC)C1 1286704656 YEWCIIOMQWOHRN-NRFANRHFSA-N 425.602 4.807 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C)nc1-c1ccccc1 1286755806 LGDMIORXPMBORG-UHFFFAOYSA-N 445.958 4.621 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(C)C)CC1 1286761291 WDHJDSHONUJUNX-KDURUIRLSA-N 429.609 4.663 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1286763385 YKUWNHXERYJYMZ-VXKWHMMOSA-N 445.611 4.703 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)S[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1286834325 DFWBBVPKRJJAJZ-KDURUIRLSA-N 428.671 4.998 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccnc1Oc1cccc(F)c1 1287439406 GBXVTAAXLSTCJI-VWLOTQADSA-N 448.546 4.981 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N(C)c1ccccc1 1300441333 LBZARYZHNRMOJN-RBUKOAKNSA-N 433.625 4.726 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC(F)(F)C1 1300564214 BNKDTMQTNAVOOF-INIZCTEOSA-N 432.902 4.505 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1300938653 AVDBPTJEHLFUDU-KBPBESRZSA-N 437.407 4.623 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1301029879 WQPJSVGATOTGOT-MRXNPFEDSA-N 438.906 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1Br 1301149928 ILHOBSNFKKLZMO-UHFFFAOYSA-N 441.377 4.736 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@](C)(OC)C1CC1)C1CC1 1301316202 HXVPTTOTXCUDPF-OAQYLSRUSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1301341759 VVVKMCVVWSFFNY-RUZDIDTESA-N 433.556 4.583 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1301347000 MOJTZZPVOGUGNU-WXVAWEFUSA-N 446.643 4.987 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CC(O)(CC)CC 1301351028 GZZWOXFBEJMSCQ-UHFFFAOYSA-N 443.954 4.876 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1301620440 FWMREUJZZXWFRE-RBUKOAKNSA-N 432.659 4.723 30 10 IJEE C=CCSCCn1c(COCC)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1301621044 PIGSRGQLGIGVGU-IBGZPJMESA-N 425.602 4.599 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCCCC2)C1 1301621183 SPTPPDFXWIONLG-UHFFFAOYSA-N 437.613 4.809 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1303615330 HIWMYYVCYZUJDA-MRXNPFEDSA-N 448.914 4.735 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1cc(COC(C)(C)C)on1 1303633230 DNKZTMXEIKOQAB-HNNXBMFYSA-N 442.951 4.688 30 10 IJEE C[C@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)C1 1304973375 FPCLMKKETBBOCI-VQTJNVASSA-N 444.583 4.726 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccc(Br)cc2C#N)C1 1308022763 RGFUZYDUCCLVFY-VQIMIIECSA-N 434.378 4.542 30 10 IJEE C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 1311582443 CRFYZKDUWAGSCK-HXUWFJFHSA-N 448.636 4.947 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cccc(C)n1 1316445025 DDUPSNHUAMUWDF-LJQANCHMSA-N 434.613 4.731 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1316529992 CYQBIQBDKXXMHW-JXXFODFXSA-N 439.432 4.744 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)c1 1352428835 DHTCMUJJHVYNPC-IBGZPJMESA-N 449.304 4.683 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c1 1352619694 GJFBCEJVEYJULL-UHFFFAOYSA-N 430.460 4.830 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)c1 1358007028 JRMGQBBZMULWAK-OYRHEFFESA-N 428.532 4.717 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC=CCC2)CC1 1359165390 NPRDAYPQLLEHFO-FQEVSTJZSA-N 441.620 4.905 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CCN(CC)C2)CC1 1359168229 MJPHZCRFHYWPAC-QFIPXVFZSA-N 437.632 4.787 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)c1ccccc1 1359194657 ZJEHOQHTDWXELL-PKTZIBPZSA-N 433.604 4.811 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1359222431 IMZODXWJPOWING-MBSDFSHPSA-N 443.979 4.794 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359231246 RDMRTAATGJNZDH-YRPNKDGESA-N 428.577 4.643 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)c1ccccn1 1359263503 DAZFGIMRCMBCGQ-IBGZPJMESA-N 437.613 4.799 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1C[C@H](C)O[C@@H](C)C1 1359266718 KLSFEHRJMXGAPV-FHWLQOOXSA-N 428.552 4.939 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N1CCC(C)CC1 1359273846 QLIPASZHDLBMJI-NRFANRHFSA-N 432.616 4.649 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCS1 1360766765 CJRZOOSXWKGRFX-FUHWJXTLSA-N 429.565 4.583 30 10 IJEE Cc1ccsc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1360955849 HJMBWKPUBCSCJN-MRXNPFEDSA-N 425.533 4.715 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(Cl)s2)c1 1361144123 CREQWIRKPPQZPZ-MRXNPFEDSA-N 429.977 4.976 30 10 IJEE C=C[C@H](CC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1440748640 RGOLQECFTBSEMI-HXUWFJFHSA-N 445.529 4.694 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 1443206898 SKDHCCYHQXVBMG-SFTDATJTSA-N 438.572 4.997 30 10 IJEE C=CC[C@H](C(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)c1ccccc1 1455516845 NKGXYWKXFHDBMM-SQNIBIBYSA-N 426.479 4.508 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccc(Br)c(F)c2F)cc1OC 1462011094 WHZIFDWCFKQVHL-WEVVVXLNSA-N 438.268 4.630 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 1464363120 ZOFOKDMVMJQSBU-CVFDLSLPSA-N 442.600 4.929 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 1465199606 QKDPQSISKYUEEV-CYBMUJFWSA-N 440.821 4.741 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cn2cc(Br)cc(C)c2n1)c1ccccc1 1469469805 UQRMQDXJZJFXSJ-IBGZPJMESA-N 427.346 4.912 30 10 IJEE C#Cc1cccc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)c1 1470138152 NOPWKTFWDMIVCN-HXUWFJFHSA-N 437.893 4.746 30 10 IJEE COc1ccc(CN(C(=O)COc2ccc(C#N)c(C)c2)[C@@H](C)Cc2cccs2)cc1 1473024926 HGNSSBLWIMGKLH-IBGZPJMESA-N 434.561 4.976 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(OC)cc(OC)c1)c1ccc(C(F)(F)F)cc1 1475123067 MZZBJBWZIKVDRK-IBGZPJMESA-N 429.460 4.708 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2ccc(Br)c(Br)c2)cc1 1476152163 JXZNBDHGPOUGRI-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCC(O)(c2ccccc2)CC1 1476728993 OALHDQDTLRKKCS-UHFFFAOYSA-N 445.357 4.966 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCc1cccs1 1495650592 BHXQYUAJPDQRAL-FQEVSTJZSA-N 448.640 4.680 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N1CCCC1 1500040324 IDDBFRIPAZNSKE-KNQAVFIVSA-N 432.572 4.872 30 10 IJEE CN(CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1)C1CCCC1 1503607301 IEJNYUMEHFOWKL-UHFFFAOYSA-N 447.414 4.866 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCSC1(C)C 1507519671 JELWHPMCTOBJJN-HOCLYGCPSA-N 433.419 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC(C)C)nc1 1507524966 YCLODZORNQBFMS-GOSISDBHSA-N 449.624 4.964 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](CCC)C1 1507578800 BMTVSSNDYXDSOV-HSZRJFAPSA-N 431.584 4.771 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1507601467 FYXCKABXWUUFFH-YDIMBITNSA-N 444.023 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](SC)C(C)(C)C 1507765187 ZQEFNYAARUBPKN-HYBUGGRVSA-N 442.629 4.732 30 10 IJEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)[C@@H](C)C1CCC1 1507783239 ATLGWBSOVPKMJP-HNAYVOBHSA-N 447.377 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507814991 JTFRANUPPJEATH-NZQKXSOJSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507827834 HEFSRGQFVPZCDL-PMACEKPBSA-N 439.604 4.959 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CSCCS2)CC1 1507891996 ILPIRRGKRVAFRT-KRWDZBQOSA-N 448.683 4.584 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1507936684 IANZIEHWNBBJKS-FPOVZHCZSA-N 442.007 4.987 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507960251 QWSDMRZYTPUFPD-MNZLEMJZSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1 1508002877 PCSOAFHQXJCVDG-SZPZYZBQSA-N 439.648 4.559 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1csc([C@@H](C)OC)n1 1513200789 DWIXEVDLMQLNGK-SQGPQFPESA-N 438.601 4.771 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1524983372 JTEZLLDLLKWDML-CYBMUJFWSA-N 449.732 4.659 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1525054997 WIHTUEKMICSZQQ-LJQANCHMSA-N 443.341 4.925 30 10 IJEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1526117424 AFUHZFYUHVDTLF-MRXNPFEDSA-N 433.870 4.553 30 10 IJEE C=CC[C@@H]1N(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CCCC1(C)C 1530839282 KSFSWXBCJGYXIE-QFIPXVFZSA-N 446.657 4.606 30 10 IJEE Cc1cccc(-c2cnc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)s2)c1 1531983060 HSIFDNKQTSUUDV-INIZCTEOSA-N 436.924 4.635 30 10 IJEE C#Cc1cccc(NC(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1 1538424351 STNIAJFTFCTDSS-UHFFFAOYSA-N 425.554 4.800 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC(F)C1 1539055857 KEHVNXJVEAGSIJ-UHFFFAOYSA-N 437.332 4.835 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)C1CCCC1 1539067892 LWKXPKKBDVIPCE-UHFFFAOYSA-N 446.599 4.808 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)c1nccs1 1539085640 OBLYBKYLDUHRBJ-IPMKNSEASA-N 429.634 4.697 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](SC)C(C)(C)C 1539327650 CHWZZZBOBATHGW-HXUWFJFHSA-N 429.033 4.763 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC=CCC1 1539397008 WSRONIIDWCUEDN-OALUTQOASA-N 428.964 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1539546267 DRSHKCQFTJYYCN-FTJBHMTQSA-N 432.568 4.617 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1539744357 JJFGDKVDHKXXCT-QFIPXVFZSA-N 445.007 4.742 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(F)(F)F)C1 1539758449 NKYZDBISNCIQKT-IBGZPJMESA-N 447.505 4.653 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1539853748 DBHRQWKNUHFPRR-UHFFFAOYSA-N 436.604 4.745 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CC1 1539856018 QCNQSYZNQFIBDQ-LJQANCHMSA-N 427.499 4.711 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@H](C)C1 1539960478 BLWOZAHHXFFEAW-OALUTQOASA-N 434.588 4.563 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN(C(C)C)C1 1540048236 SAIKMHKSSMWTJE-FCHUYYIVSA-N 425.621 4.778 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(CCOCC)CCC1 1540051550 HWACWGZEZHNUFJ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C 1540147861 OLZVVRJHADTVHM-LEWJYISDSA-N 441.620 4.549 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccnc(SC)c1 1540161997 QPWNLYYWEWDTLT-UHFFFAOYSA-N 430.581 4.780 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1540912948 GLAAUTIEEAOLCG-SIKLNZKXSA-N 435.597 4.534 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 1541125731 AXDWISVPKWVNDV-NHCUHLMSSA-N 426.944 4.852 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(NCc3nc(C)cs3)c2)cc(OC)c1OC 1542445561 JJTIMBIWZAPICH-UHFFFAOYSA-N 437.565 4.739 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 1544891675 CPGAVLWPVOYZBM-OAHLLOKOSA-N 433.763 4.914 30 10 IJEE CCc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)s1 1546247567 BNMGEFFECGJLLJ-NYHFZMIOSA-N 443.523 4.671 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1546642473 IEPQZXDSIFWJEF-OALUTQOASA-N 438.595 4.739 30 10 IJEE N#Cc1cc(NC[C@@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)ncn1 1559070347 BWUAHBSICDWQRU-SFHVURJKSA-N 430.364 4.928 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1562083749 BZFDTMKGPAZLKO-REWPJTCUSA-N 441.597 4.764 30 10 IJEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cc1 1562623347 FKBIEZVCQUAPBK-VGSWGCGISA-N 431.517 4.556 30 10 IJEE C#C[C@@H](NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1564997239 GXVJVFYZJHGPOR-JIRNRHONSA-N 431.964 4.586 30 10 IJEE Cc1cc(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc(N2CCCC2)n1 1584203265 GHWGNPPMUQNLDE-UHFFFAOYSA-N 426.520 4.893 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1587777847 SXZOVMBBNSEVJU-UHFFFAOYSA-N 433.572 4.843 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CCC[C@H]21 1587798389 JBVJZDIAAIAWOC-HBMCJLEFSA-N 441.620 4.923 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)SC 1588253940 KBKOGXXAXOZXSZ-UHFFFAOYSA-N 433.046 4.828 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1588276593 RRVFMDYQQYQQIZ-QUCCMNQESA-N 445.405 4.618 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)c1ccccn1 1588550211 KTABEWZXQDSVMA-QFIPXVFZSA-N 447.558 4.671 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CC(C)(C)C1 1588594500 HWKIPQFVMQUSTN-UHFFFAOYSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCC[C@H]1C 1589151276 WHWWQWSZVJKYFW-CZOQGKOKSA-N 436.600 4.578 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCSC1 1589590165 UBZGBMVGVZOYBV-LJQANCHMSA-N 427.618 4.693 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1594930296 YWEPRWUXHBBVCG-UYAOXDASSA-N 425.577 4.521 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cccc(OC)c1OC 1595148940 CVPBYFSEGYAAPY-UHFFFAOYSA-N 449.580 4.603 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)NC1CCCCC1 1595195924 DVOMGJOMLRFXLT-UHFFFAOYSA-N 444.583 4.511 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@](C)(OC)CC1 1595648500 DJHFFCYQJDONSC-VWLOTQADSA-N 436.556 4.855 30 10 IJEE C=CCCOCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1 1598391674 BUTMWRMTSHESOH-QFIPXVFZSA-N 446.588 4.579 30 10 IJEE Cc1ccc(-c2csc(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)c2-n2cccc2)cc1 1611252026 HCUMBHJYWUAVQS-QFIPXVFZSA-N 432.593 4.820 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 1616734633 HUIIISRPAOFUMR-OAQYLSRUSA-N 448.346 4.917 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C 1626301666 XFAUCQIPMJFWAW-UHFFFAOYSA-N 442.416 4.962 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(OCc3ccccc3)ccc2O)cc(OC)c1OC 1627087586 DIWDKSDQEWZWMM-UHFFFAOYSA-N 433.504 4.647 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 1628645242 XXQWKFVOTCSMFM-KRWDZBQOSA-N 426.141 4.972 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 1631744230 GZLVNSHAZMSDHJ-QRWLVFNGSA-N 427.342 4.872 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCOc3c(Br)cccc3C2)c(Cl)c1 1634568580 AWHRSCGXNRDEBL-UHFFFAOYSA-N 426.097 4.662 30 10 IJEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 1638264056 CCEUFTBWPFCGPI-WIYYLYMNSA-N 434.536 4.985 30 10 IJEE C=CCC1(O)CN(C(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1 1644588855 IPODYTIRKJGESE-QKNQBKEWSA-N 445.625 4.546 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O 1645353212 CFSJYZFPPBZBDF-UZUQRXQVSA-N 432.520 4.751 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC1(C)CC1 1649541698 HWPGZIXUDZHIAG-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C#CCN(Cc1cc2ccc(F)cc2nc1O)[C@H]1CCOc2ccc(Br)cc21 1657514791 XKENXCMCKQHVAB-FQEVSTJZSA-N 441.300 4.801 30 10 IJEE C#C[C@@H](NCc1cnc2c(C)cc(Br)cn12)c1ccc(Br)cc1 1658193265 MKFQQHKUPHOAMU-QGZVFWFLSA-N 433.147 4.632 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cc(I)ccc1Br 1666765272 IZQMIVUZAJEABR-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE CO[C@H](CS(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)c1ccccc1 1667057229 AMZUUOHLWKAZEY-XMMPIXPASA-N 438.524 4.730 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)CCCCC1 1668705755 YMLQJQYWJURYHK-UHFFFAOYSA-N 426.538 4.730 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCc2c(CC#N)cccc2C1 1672214067 DHSIYWJHQLPQPF-UHFFFAOYSA-N 426.314 4.670 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)c1 1674262726 BCLQBAJWTDLMLB-NQSCKRDGSA-N 429.524 4.998 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1C#N 1677860265 HVEWGJWXPLOCDK-UHFFFAOYSA-N 448.951 4.700 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)CC1 1677866679 JGORDEOGLVYGDF-HXUWFJFHSA-N 429.358 4.651 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(OC)cc1F 1680255034 BNRZZGSLRDMCRI-UHFFFAOYSA-N 425.273 4.634 30 10 IJEE C=CCC[C@H](NC(=O)N1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1)c1ccccc1 1680581810 XWRQUOGHHOXYKD-OALUTQOASA-N 427.570 4.835 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 1687772928 WUOJFZVYKUXJSP-RTWAWAEBSA-N 439.353 4.995 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC(C)(C)OC[C@@H]1C 1689882980 SKHHTFRCDASAQZ-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)OCCc2sccc21 1689953851 BQFDCVDLTPWOOU-NRFANRHFSA-N 447.391 4.871 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1690051361 XAFZCHDNTVEYNY-RDGATRHJSA-N 449.668 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@](C)(O)C(C)C 1690200208 OPDNLXRRTQSXBR-CLJLJLNGSA-N 438.616 4.769 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1690304618 IOPTUDVCDKIWBG-UHFFFAOYSA-N 427.961 4.761 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1690404362 ASFAAUSXVZHZHQ-UHFFFAOYSA-N 445.995 4.916 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCCC[C@@H]2C)CC1 1690413378 QOMMXKRZTXZBRF-NRFANRHFSA-N 437.632 4.544 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1690445456 XXFWWJAEGFRNMM-SGNDLWITSA-N 438.616 4.783 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOC)c1ccccc1 1690447000 JFYGJBANYLJACD-BHDDXSALSA-N 426.605 4.639 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690475374 PJRRGSDYOKHSRP-UHFFFAOYSA-N 449.624 4.977 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCc1csc(C)n1)C1CC1 1690541060 LLGMECKRPUPIGE-UHFFFAOYSA-N 444.402 4.870 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1Cc1csc([C@H](C)OC)n1 1690590347 VTRNNEZSUDWORI-HNNXBMFYSA-N 429.977 4.989 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CCC1 1690594979 LDYOXWLELKMLEJ-IBGZPJMESA-N 429.609 4.761 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](SC)C1 1690683048 AHIZDSJDFWKTCJ-LEWJYISDSA-N 442.629 4.507 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC[C@@](C)(CC)O2)C1 1690689945 OJJLOTYONCPQDI-ZRCGQRJVSA-N 430.980 4.728 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H]1C 1690737027 XCEVSZKTQFKPNN-CHWSQXEVSA-N 427.437 4.923 30 10 IJEE C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)N1CCC[C@@H](C)C1 1693662729 AYWBVYOFBYUWIB-IMWIBFENSA-N 441.023 4.849 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](COc2ccccc2)C1 1705540082 MQGZIWSKNXFAQY-MDNUFGMLSA-N 436.600 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(OCC)c1 1705545038 MTCBKHXOFQWFTE-SFHVURJKSA-N 434.609 4.842 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCC1(C)C 1705576540 MENWVAIKPYMMIO-INIZCTEOSA-N 443.364 4.746 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCSCC=C 1705577816 UWCADGGXTWRYTG-UHFFFAOYSA-N 436.581 4.805 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1705592249 FXJXREGYZLIIAR-DEOSSOPVSA-N 445.655 4.826 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCc1ccc(Cl)s1 1705623063 FQPDOKGAEDQVLB-UHFFFAOYSA-N 440.956 4.735 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1705683654 OFZIOBPBXSTVBR-TXEJJXNPSA-N 440.183 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCc1c(C)noc1C 1705711821 SUKBSSHODWXAMR-UHFFFAOYSA-N 444.377 4.958 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705726201 XRPDMTPWVSUKFW-UNMCSNQZSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1705792054 LJYVJVXFRBHTSI-LJQANCHMSA-N 433.641 4.915 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1nncn1C 1705799592 AZDVDOHFUKIEEU-NHCUHLMSSA-N 449.603 4.861 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)c1ccccn1 1705836281 MUCIKXAPLGIOPV-UHFFFAOYSA-N 444.352 4.842 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ncc(CC)s1)C1CC1 1705850877 MNGZFACBZDBNMD-UHFFFAOYSA-N 429.977 4.829 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)N1CCCC1 1705865792 WPEIYBIIMQTUMW-JOCHJYFZSA-N 446.624 4.945 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)C1 1708866761 GGBZIXOVGBUJGF-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)CCC(C)C 1722304503 YMRWSVMKVNKUBC-RXFWQSSRSA-N 440.632 4.800 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCc2sccc2C1 1722311043 QYOWUHNXWNHBDP-UHFFFAOYSA-N 444.402 4.854 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC(CC(F)(F)F)CC1 1722317228 NQOHELOFXVYHMG-UHFFFAOYSA-N 434.506 4.850 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1C 1722321065 UMBQVINXGWBJFA-UHFFFAOYSA-N 448.615 4.636 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCC1CC(OC(C)(C)C)C1 1722343710 OPGSNSJLDOPKFY-UHFFFAOYSA-N 445.405 4.761 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722408067 YIZCFHRDSCLNMA-DLBZAZTESA-N 436.478 4.715 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC)C1 1722454955 OZGFBJUCAUBHFK-CQSZACIVSA-N 439.448 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC(F)(F)C1 1722466360 RPNOQCJENSUXCM-FDDCHVKYSA-N 441.526 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC)CC1 1722499767 ASHRHWWUXZZEBT-AUSIDOKSSA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)CC1 1722586014 QDLKOCRTTXNZCF-UHFFFAOYSA-N 447.505 4.978 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1722603753 MQTLNWLOCAVAJY-BJKOFHAPSA-N 437.632 4.629 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@@H]2CC)C1 1722714287 KDEZTBZHSSGAGY-IRFCIJBXSA-N 440.588 4.570 30 10 IJEE CCc1nc(C)c(Cn2c([C@@H](CC)c3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)o1 1727449264 BXVYCHWWFATBCQ-NBGIEHNGSA-N 432.572 4.857 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCC[C@H](C)C1 1740663268 DXOTWHQLDQYEHT-QHCPKHFHSA-N 433.644 4.720 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)N(C)C1CC1 1740733453 DUZLTLWUUZBYSL-JIPXPUAJSA-N 449.643 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H](C)c1nccs1 1740764856 ZBLBTYNISXNHSO-KPFFTGBYSA-N 443.642 4.608 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1C1CCC1 1740787086 ZVQOZHDAVZYMFP-JOCHJYFZSA-N 437.588 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1nccs1 1740845416 NSDQCSHVSGJBSH-UHFFFAOYSA-N 427.574 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1740845721 ZEJKFQMVWLBDKU-KRWDZBQOSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](CC)N1CCCC1 1740903893 PLIPPRXDZUXRQV-OAQYLSRUSA-N 425.621 4.651 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 1740914049 ZXPNIJOXYXGZLA-FDDCHVKYSA-N 428.552 4.602 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@H](C)C1 1740914138 MMLDBYICLBHTQC-REWPJTCUSA-N 431.584 4.901 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CCCCC1)N(C)C 1742982227 CRUKILSSSMYGHS-NMMYMHLASA-N 434.632 4.952 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2)C1 1743065534 CLCVQGDJMCLDJU-IBGZPJMESA-N 432.572 4.557 30 10 IJEE C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1)N1CCC[C@@H](C)C1 1743068014 ACMIOQKDHHIELQ-MOPGFXCFSA-N 441.023 4.849 30 10 IJEE CCCC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)CC1 1745315510 GZBNRXLFHXZBRF-ROUUACIJSA-N 430.597 4.526 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H](C)C#N 1746990657 AIUVRISLLIAHLC-SJORKVTESA-N 429.634 4.790 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)[C@H](C)CC 1748646955 GEWQRJMQGJAARX-FUHIMQAGSA-N 437.613 4.896 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1748723839 AJHZIQRQQIDGHG-IAGOWNOFSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC2(CCCCC2)C1 1748739184 YSHGZONOMBCFID-UHFFFAOYSA-N 428.964 4.560 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCC1(F)F 1748937877 SYIYWMMBIIYAQH-SFHVURJKSA-N 432.515 4.541 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(F)c1 1749090067 KSBUVLORAVUOSS-UHFFFAOYSA-N 436.716 4.678 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1749239411 JOLWSMXHGYGWIU-KNQAVFIVSA-N 428.552 4.748 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(CCCOC2)C1 1749257107 JJLMKJHKVPDDJK-KRWDZBQOSA-N 443.798 4.529 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCSc2nccs2)CC1 1749330991 AXPSXIDUTBLLME-UHFFFAOYSA-N 441.626 4.995 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1749524763 BRRBJOLVNCQCSW-JOCHJYFZSA-N 437.632 4.749 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCc1cccnc1 1749584971 UGIMKPKYXZADNK-UHFFFAOYSA-N 444.970 4.866 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCSC2(C)C)C1 1749696100 PYCDAGJFUZJQPL-IEBWSBKVSA-N 433.021 4.912 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SCC)C1 1749746138 AADNKQSNIPYCIY-FQEVSTJZSA-N 427.643 4.848 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1749754280 JFJANRPXGCDHFY-VQTJNVASSA-N 449.020 4.670 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1749762555 XZFLZZWTWZEFTC-XLIONFOSSA-N 432.659 4.958 30 10 IJEE Cc1csc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)c1 1751748865 CPGZHLBMCIUNKC-UHFFFAOYSA-N 435.578 4.845 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1760158261 LEMWOJIBSRVTSI-MRXNPFEDSA-N 429.977 4.620 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC(C)C)C1 1760161510 KTYYXPCTJGLHLL-NHCUHLMSSA-N 443.636 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)[C@H](C)CC 1760289069 MABWIYGELBKHKQ-CZOQGKOKSA-N 438.616 4.824 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(F)c(F)c1 1760299498 WVYQLQNOBFSHKX-IOZGHAEBSA-N 442.554 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2cccc(OC(C)C)c2)nnc1C(C)(C)C 1760328649 ZBAMAKBJXQSZRH-RBBKRZOGSA-N 426.605 4.980 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCc1nccs1 1760351388 FRVLTXKMBWHAJU-UHFFFAOYSA-N 439.629 4.971 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN(CCOCC)[C@H](CC)C1)c1ccccc1 1760363153 GGNULWFDWXLZPG-HSZRJFAPSA-N 439.648 4.517 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760391772 QNYPDVNPEJOHNG-ZRZAMGCNSA-N 435.660 4.976 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C)c1ccccc1 1760419962 GSFXWORUAPOQFZ-GOTSBHOMSA-N 449.643 4.678 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(c2ccccn2)CCC1 1760457427 RLSZYWRAJSZKTE-UHFFFAOYSA-N 425.483 4.686 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1C 1760478974 YPDWJNARFPXWGI-REWPJTCUSA-N 431.584 4.901 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CSCCS1 1760497041 PHPDXHDBSHMJLT-LJQANCHMSA-N 430.643 4.501 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C)[C@@H]1CC 1760515400 NATQQBNRPLDRHS-ZBFHGGJFSA-N 444.004 4.740 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(OCC(F)(F)F)c2)C1 1760534804 GMCVPKBTSWGWCS-VQIMIIECSA-N 438.494 4.562 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ccc(C)s2)C1 1760536603 CUVQGQSCCRWVDL-KRWDZBQOSA-N 444.988 4.807 30 10 IJEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccs1 1760771620 FYCGWGVREVHTNR-LJQANCHMSA-N 448.596 4.525 30 10 IJEE Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1761625915 FWDWGEYTEFSOFL-QHCPKHFHSA-N 437.569 4.552 30 10 IJEE CCCOc1ccc(Br)cc1C=NNc1nnc2c3ccccc3n(C)c2n1 1772765294 CNQBJFICHJOPOS-UHFFFAOYSA-N 439.317 4.514 30 10 IJEE C=CCOC(=O)Nc1ncccc1O[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1858699675 CZRZMDCNPAAVJO-NSHDSACASA-N 443.809 4.894 30 10 IJEE CCCCC(=O)Nc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 1860088755 FFJHDMPUNIOPPL-OAHLLOKOSA-N 425.554 4.891 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)c1 1862431155 ATLCLPCXDOJWQI-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862436593 XKCURYFXEQOIAY-LJQANCHMSA-N 428.872 4.873 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 1862525078 UJJYXDVDUZJCRW-GOSISDBHSA-N 432.289 4.967 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 1862532001 AYVRUPJDOVWVSK-XMMPIXPASA-N 442.515 4.821 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(=O)OC)cc1 1862548859 AYKIHMMXSDZEQI-QHCPKHFHSA-N 447.531 4.730 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862555854 JPRWSGWHORYNDP-DEOSSOPVSA-N 426.516 4.918 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(Cl)cc2)cc1 1862591868 QADQTSYESSPCCD-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862595186 KGWUHMCIRJBCLK-DEOSSOPVSA-N 438.483 4.695 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862694790 RYVMTUCWZFYHPY-RBQRDFNRSA-N 449.503 4.550 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc3ccccc23)c1 1862705391 WTMVRGKMZCAKNF-XMMPIXPASA-N 445.515 4.852 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862975456 KHLFRBSLFIIALU-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccccc2OCC(C)C)c(C(=O)OCC)c1C 1865740147 NNUYTKPQSRBSDJ-UHFFFAOYSA-N 445.537 4.863 30 10 IJEE N#Cc1cc(Br)c(NC(=O)CCC(=O)c2ccccc2)c(Br)c1 1865979321 PELUUKHEKNZAOK-UHFFFAOYSA-N 436.103 4.685 30 10 IJEE CCCC[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867714023 WJQKJAIKSSGHPH-WOJBJXKFSA-N 432.351 4.972 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)n(C(C)(C)C)n1 1870000044 DLADYLRZKPHJKB-GOSISDBHSA-N 425.577 4.741 30 10 IJEE CCOc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)cc1 1870106168 ACQBCCZHAVDERL-UXBLZVDNSA-N 442.306 4.555 30 10 IJEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)COc1ccc(Cl)cc1 1870152727 IAEAROQPJOHXQT-UHFFFAOYSA-N 444.882 4.553 30 10 IJEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870809653 OFYIHSXJJDIBJV-UHFFFAOYSA-N 429.564 4.982 30 10 IJEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870890455 YEFBAQXHUQRTET-UHFFFAOYSA-N 434.536 4.805 30 10 IJEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871389992 YJWACGSTAQMQTI-CFRMEGHHSA-N 442.423 4.816 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871878496 GXCFIKGULRKEJL-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872488524 IFHMVFSZRYUAQE-GOSISDBHSA-N 434.989 4.859 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872769072 IWBZIGIXWNTOGV-FQEVSTJZSA-N 443.528 4.680 30 10 IJEE COc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774507 TUGOADLZFCFVRS-HNNXBMFYSA-N 426.881 4.733 30 10 IJEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872786968 XSMGFDMTFMGICO-APWZRJJASA-N 443.528 4.596 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)n2)c2ccccc12 1872788483 JIEWPOWTMJOVSQ-DNVCBOLYSA-N 447.560 4.795 30 10 IJEE C[C@@H]1CN(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)C[C@@H](C)O1 1872800813 WKGBZXTZNSYTHS-OPYAIIAOSA-N 431.561 4.763 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 1874180759 PHMSFODNHCLTHX-LBPRGKRZSA-N 448.338 4.851 30 10 IJEE COc1ccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SC)c(OC)c1 1874214749 DANPYLSESYFXKL-OEAKJJBVSA-N 446.960 4.564 30 10 IJEE CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(Cl)cc1Cl 1874273520 HVXMYGIQBDTQHW-HKXVIOCSSA-N 440.400 4.694 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)C)cc1 1874276804 BRNJHZCEXYSDAD-ANRKENSESA-N 427.618 4.900 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccs1 1874285832 ASASIJWBEUMPTQ-LPYMAVHISA-N 449.001 4.706 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(N(C)C)cc1 1874316762 JKAPJJCQLQGOID-KOEQRZSOSA-N 435.597 4.906 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1 1874329027 RVYNXMLWFRWORV-YZSQISJMSA-N 449.624 4.523 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccc(F)cc2F)o1 1874455879 OMQJUMAJPIAAMT-BHGWPJFGSA-N 446.479 4.768 30 10 IJEE COCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874472442 GGTXXVMSHBALIQ-WSDLNYQXSA-N 449.349 4.543 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1)NCc1ccco1 1874609656 CPXVMJHHDJRSAB-DHZHZOJOSA-N 440.293 4.633 30 10 IJEE C#C[C@H]1CC12CCN(S(=O)(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2 1892005121 MLVVMPMIKOVLOL-INIZCTEOSA-N 435.467 4.922 30 10 IJEE CCCN[C@H](C#Cc1cccs1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1900748283 NKURCIOIGIYOIN-FGZHOGPDSA-N 428.598 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1933895428 DMOWILWDKHQOGK-YDIMBITNSA-N 427.545 4.715 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)cccc1Br 1937850493 RNSRROXDDFAALB-HIFRSBDPSA-N 448.199 4.942 30 10 IJEE O=C(CCCS)Nc1cc(Br)c(Br)c(Br)c1 1938594518 QRWTWPJPWZGCMT-UHFFFAOYSA-N 431.975 4.623 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C 1944716327 GZSPIRGGTBFWAM-WMZOPIPTSA-N 431.533 4.728 30 10 IJEE C=CCN(C[C@H](N)Cc1cc(Br)ccc1Br)C(=O)OC(C)(C)C 1982457290 HMOSTRWXMHLILJ-CQSZACIVSA-N 448.199 4.505 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C#N 1985177850 CUTKWVCOVLIZQO-CEYNDMKZSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2022278973 GSQDVVLAQMHTSO-SQJMNOBHSA-N 427.589 4.739 30 10 IJEE CN(C)Cc1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1Br 2079173170 LPCPIMYNTFUKOC-UHFFFAOYSA-N 448.180 4.932 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)c(O)c1 2079848541 JHMIVMNITNSEPZ-CQSZACIVSA-N 432.240 4.886 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNc1cc(Br)cc(F)c1C#N 2107446328 YOSUOQCEHMQVHY-STQMWFEESA-N 426.330 4.765 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c1F 2124521428 GUBBVQDETFJKKL-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C#CC[C@@H](C[C@H](NC)c1ccc(Br)cc1I)C1CC1 2142289308 YDCWXFAGWCXQCM-LRDDRELGSA-N 432.143 4.754 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2159126472 VKANUCUHCBQQBP-HUUCEWRRSA-N 441.414 4.643 30 10 IJEE CC(C)(C)OC(=O)N1CCCCN(c2cccc(Br)c2C#N)CC(F)(F)C1 2174768889 GSXBYDYHQSGUOB-UHFFFAOYSA-N 444.320 4.793 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3ccc(Cl)c(Br)c3)c2)OC1(C)C 2178297199 NIKXBVCOTXOFBN-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE Cc1ccc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(I)c1 2231944634 WDCRDMUDLSZLKH-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 2262208634 YPSUTRUUTNYUEF-OBDYRVMHSA-N 435.564 4.674 30 10 IJEE CC1(C)OB(c2ccc3cc(C(=O)N(Cc4ccccc4)C4CC4)ccc3c2)OC1(C)C 2267011758 KIDQZCSADHRLPR-UHFFFAOYSA-N 427.353 4.944 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccccc2NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267566084 WKYOKPMUXCCOKA-DOTOQJQBSA-N 442.365 4.621 30 10 IJEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 2296110656 UJTLHHGZQRSTDU-XMMPIXPASA-N 440.499 4.577 30 10 IJEE O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296116248 WOPTWPFWTIOJOD-BEFAXECRSA-N 432.303 4.594 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)C#Cc1cccc(Br)c1 2296224784 NYNHDDKSDHEASI-OALUTQOASA-N 434.374 4.899 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CCNC(=O)OC(C)(C)C)C(C)C 2296292785 CABPNCQWCKDKPF-UXHICEINSA-N 437.422 4.966 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CC[C@H](NC(=O)OC(C)(C)C)C1 2296301282 SFAFDRSKFCOTFJ-NNMXDRDESA-N 435.406 4.862 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(F)cc2)C1=C(O)c1ccco1 2297053523 BCAHCUHTZCJDMV-SFHVURJKSA-N 438.411 4.794 30 10 IJEE COC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cccc(OC)c2OC)C1=O 2297485477 WKGVDZDXYNKLLZ-UHFFFAOYSA-N 431.897 4.511 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2OCCC[C@@H]21 2313266966 WBQGWBLHGKHHRU-WOLJRWFJSA-N 444.616 4.590 30 10 IJEE C[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2317347250 VCKSIVFILFPNSB-JGJWRRPTSA-N 432.370 4.654 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1c(F)cccc1Cl)C3=O)CN(C[C@H]1CCCO1)CO2 2322307741 WHQVNABBWGGCQM-OAHLLOKOSA-N 429.875 4.735 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)c1 2323890025 ZHUVYJUZAWGFEE-UHFFFAOYSA-N 444.439 4.846 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)OCc4ccccc4)c3C)C2=O)c1 2324224400 ATWUKQFAXGACAS-UHFFFAOYSA-N 430.456 4.742 30 10 IJEE COC(=O)COc1ccc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1Br 2324637331 AWXHHBCOEAFTCU-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE OCCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1Cl 2328089909 XWJHTQXSAYIRQU-UHFFFAOYSA-N 435.380 4.727 30 10 IJEE Cn1cccc1C=Nn1c(CCCOc2ccccc2)nnc1SCc1ccccc1F 2328746292 AIBQYGJGKTZTRZ-UHFFFAOYSA-N 449.555 4.942 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2329101077 HEIJMGRQPAQTDN-UHFFFAOYSA-N 426.929 4.771 30 10 IJEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 2330632364 JEJGJYXRWWMKQT-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)CCCC4)cc2[N+](=O)[O-])cn1 2330687399 PIPFSXRSCFDPNL-UHFFFAOYSA-N 443.459 4.687 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)[C@@H]1CCCO1 2331533393 SFKQBLMRKGFPIT-SFHVURJKSA-N 449.272 4.577 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2ccc(Cl)cc2)cc1OC 2331595504 YKRASAKLMFVYSH-UHFFFAOYSA-N 446.960 4.660 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1c(F)cccc1Br)C(=O)OC(C)(C)C 2337917193 ZLVHGDJTFLYJGX-QGZVFWFLSA-N 427.358 4.889 30 10 IJEE C[C@@H]1[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339575423 WOGJTJVPZYOBDR-DEWHONNTSA-N 444.381 4.893 30 10 IJEE Cc1sc(Br)c(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1C 2342482736 XZDSBLMZOIOTSO-GOSISDBHSA-N 428.201 4.826 30 10 IJEE Cc1cc(CNc2cccnc2NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652310 ATNIRDNBYJJREL-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2366191511 YZJBWFHCEUOMHS-FGSXEWAUSA-N 433.390 4.568 30 10 IJEE C#CCCCC[C@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366661804 WZMMLETVNIUROG-GXTWGEPZSA-N 425.763 4.601 30 10 IJEE CC1(C)OB(c2cc(OCc3cc(Br)ccc3Cl)ncc2F)OC1(C)C 2371928176 SQTRMCJMELTNRF-UHFFFAOYSA-N 442.521 4.515 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1OC 21249599 SOVDTLPJYNMAIB-WMZOPIPTSA-N 425.912 4.752 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(OC)c2OC(C)C)cc1 21258090 XCALJELOJDTEEO-RXVVDRJESA-N 449.547 4.885 30 10 IJEE C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 21725359 MZJNYPISDIRLPD-HNNXBMFYSA-N 432.505 4.530 30 10 IJEE CC(=O)Nc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1 33321230 WOVYXZVKACBIJP-HJPURHCSSA-N 429.476 4.605 30 10 IJEE CCCCCOc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCOC)cc1 35443186 NUNUZYISADDFLR-XPXBXICFSA-N 449.547 4.880 30 10 IJEE CCOc1ccccc1C(=O)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC 40844604 FCUIFDFHKZYXIS-UHFFFAOYSA-N 428.440 4.776 30 10 IJEE C=C(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)NCc2ccccc2)cc1 66108466 UFQMCWOWVILSAL-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)s2)cc1 97296122 VBHCMFKEVVWCHN-UHFFFAOYSA-N 437.956 4.509 30 10 IJEE CC(=O)c1ccc(N/C=C2/C(=O)c3ccccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 105285815 XLCLHCJRGANLNI-IWIPYMOSSA-N 446.528 4.684 30 10 IJEE CCOc1c(Br)cc(/C=N\Nc2nc3ccccc3[nH]2)cc1Br 169900061 UXDCTAZZUXFCRZ-OCKHKDLRSA-N 438.123 4.933 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(OC)c2)cc1 169937135 TZMFLTGKAAFUQP-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccncc2)c1 170015077 ZIZKZRDPHQSZAN-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccncc2)s1 170018575 PJXOTNKHQJJEGZ-QGZVFWFLSA-N 443.887 4.730 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)c1 170047607 PGQXJGPUBMAIHP-HSZRJFAPSA-N 443.455 4.597 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccncc1)c1cc2ccccc2o1 170206621 DLZWFKNVVDQENX-NRFANRHFSA-N 432.382 4.889 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(O)c1 170258777 XFBLTUZBSLKYGF-JOCHJYFZSA-N 445.471 4.506 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(CC)cc1 170267938 HWJCMLOCWGXPMD-LJQANCHMSA-N 428.326 5.000 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)cc1 170275127 FKOWEXURYOAZTD-XMMPIXPASA-N 442.515 4.957 30 10 IJEE Clc1ccccc1/C=C\C=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 252633841 WHBPKKYZXJNKAR-ZVQRSXGVSA-N 425.968 4.617 30 10 IJEE COc1ccc(/C=N/Nc2n[nH]c(SCc3ccc(C(C)(C)C)cc3)n2)cc1OC 253574957 UBLYBMBHPDFPCO-YDZHTSKRSA-N 425.558 4.858 30 10 IJEE COc1ccc(NC(=S)NN=C2C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 254826603 WGYQOTQVSWUBSJ-UHFFFAOYSA-N 444.560 4.550 30 10 IJEE N#CCc1ccc(CNc2cc(I)ccc2Br)cc1 399126131 SDKHJQVAZIQVHS-UHFFFAOYSA-N 427.083 4.732 30 10 IJEE N#Cc1ccsc1C(=O)Nc1cccc(N(CC2CC2)C(=O)c2sccc2C#N)c1 474406317 HEJDRDYQUGCPKP-UHFFFAOYSA-N 432.530 4.862 30 10 IJEE C[C@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 479041725 FJCPNQHORCOFOO-DJJJIMSYSA-N 447.482 4.699 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](CCCC#N)c1ccccc1 487289660 WEBKZSCHJWOHKL-IBGZPJMESA-N 429.314 4.582 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 498287600 XHHDFPLMJIZUDO-UHFFFAOYSA-N 426.561 4.707 30 10 IJEE N#C[C@H](C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc(O)c2c3c(sc2n1)CCCC3 511711716 IJHNOQVSIGRONY-OAHLLOKOSA-N 432.480 4.696 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 515073788 KFDNNIRAEUVEBH-IIBYNOLFSA-N 437.475 4.535 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 538650996 QVVZGEWUYMCIMM-UNMCSNQZSA-N 435.572 4.534 30 10 IJEE N#Cc1cccc(CC(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 547426528 IVKFXRHZWCABNM-SFHVURJKSA-N 442.359 4.738 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(=O)CCCCC)CC1 555240937 GDHWZSPWRXPMOR-UHFFFAOYSA-N 448.615 4.678 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC[C@H](Nc4ccccc4)C3)n2Cc2ccccc2)c1 562755448 FPQHVQAZHMPTBK-VWLOTQADSA-N 434.547 4.946 30 10 IJEE Cn1cc([C@H](NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C(F)(F)F)cn1 582465897 KVHVGUVRXRNDAK-RYUDHWBXSA-N 448.289 4.645 30 10 IJEE C=CCN(Cc1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586133365 UWSPWUOLPDHTPR-UHFFFAOYSA-N 428.337 4.547 30 10 IJEE N#Cc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)c1 586204768 QUPCEXCSUDFELP-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2F)cc1 586251667 GPCYBOFLEOQZFS-UHFFFAOYSA-N 428.460 4.631 30 10 IJEE C=C([C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC)C(F)(F)F 686824746 HVBGBQCRBPXGEH-IBGZPJMESA-N 441.538 4.643 30 10 IJEE COc1cccc(Cc2cnc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)s2)c1 729495575 RHIWOJNOMMCZDB-UHFFFAOYSA-N 448.548 4.689 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C)cc3c(C)ccnc23)nc1C 786119160 AONYADXPLQKFLP-UHFFFAOYSA-N 436.566 4.602 30 10 IJEE CN(CCC(=O)NCC1CCC(C#N)CC1)C(=O)OCC1c2ccccc2-c2ccccc21 799735845 MEDLPKFJHFWDQJ-UHFFFAOYSA-N 445.563 4.704 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1/C=C\c1ccccc1 809893442 NXJHJAYRLMZOTG-DHOHLHFPSA-N 443.551 4.573 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1ccc(Cl)cc1 811948416 FAPJFAAIKSILPH-IBGZPJMESA-N 432.745 4.641 30 10 IJEE CC(C)CN(CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)OC(C)(C)C 1125087311 FEPNJMRCMIGSHL-UHFFFAOYSA-N 437.540 4.969 30 10 IJEE C#CCN(C(=O)c1ccn(Cc2ccccc2)c1)[C@@H]1CCOc2ccc(Br)cc21 1126151673 SLWWDRCTSQMTQF-JOCHJYFZSA-N 449.348 4.898 30 10 IJEE N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)C1 1129608684 HULKMLLGSNJRDJ-DGCLKSJQSA-N 425.325 4.808 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1)OCC 1129644645 FDMICBNWZSMMGP-KRWDZBQOSA-N 426.742 4.657 30 10 IJEE C=CCCC1(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CCCC1 1130909768 FUNOQMZRTKMXQD-UHFFFAOYSA-N 448.629 4.516 30 10 IJEE C#CCN(C(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1)[C@@H]1CCCc2ccccc21 1134093123 LYRYOBJTSURUAF-HXUWFJFHSA-N 432.545 4.980 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1Cl 1156300219 KDEDXEQUDWTLSK-QGZVFWFLSA-N 448.972 4.720 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(C4CCCCC4)cc3)ccc2c1=O 1159217759 BJAMEUGOYCIGCU-UHFFFAOYSA-N 433.577 4.849 30 10 IJEE C#CCN(Cc1cc(OCC)c(OC)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1180291902 HSKQJLPXBHAFPX-LJQANCHMSA-N 448.332 4.955 30 10 IJEE C=CCn1c(SC[C@@H]2CCC[C@@H](C(F)(F)F)O2)nnc1[C@@H]1COc2ccccc2O1 1188283079 TXBJXNCWQDAQJJ-JQFCIGGWSA-N 441.475 4.569 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1cc(C)ccc1OC 1190751765 DTQGNIAZTKTSCC-OAHLLOKOSA-N 435.337 4.920 30 10 IJEE C=CCN(C(=O)CN(C)C(C)(C)COC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1194754307 CQIMZSKWIYOFIN-UHFFFAOYSA-N 442.412 4.993 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(OC3CCN(C)CC3)cc2)cc1OC 1202366244 LPFIZWFRPICWNJ-UHFFFAOYSA-N 430.976 4.676 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1212008693 JIFQSFYTSNPYTF-IRLDBZIGSA-N 448.629 4.605 30 10 IJEE C=CCn1cc(CNC(=O)N[C@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)nn1 1227841630 PMKRANHQAYLURW-CYBMUJFWSA-N 435.475 4.772 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2ccccc2Oc2cc(Cl)ccc2C)C1 1248677158 WAPRBZPSQQACJL-OAQYLSRUSA-N 425.960 4.680 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)C[C@H](C)O[C@@H]2C 1269568040 HZWOIKLXOMFVJF-QWHCGFSZSA-N 442.537 4.858 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCCC1(C)C 1286303072 XEXJMZJMUWAYHV-SJORKVTESA-N 445.405 4.904 30 10 IJEE C#CCN(CC)c1nnc(C2CCCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1286447012 XPTVMHBYGUDNGF-HXUWFJFHSA-N 429.609 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)C(C)C 1286528761 NFPSVRBWZNGMPS-YADHBBJMSA-N 433.021 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1286582704 CMSQRLDRRMEDDI-OEMFJLHTSA-N 437.632 4.833 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286584512 MBDHCAJADJZLBB-NHCUHLMSSA-N 435.547 4.978 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OCC)C1 1286603305 AJCXDXKXYLXYJO-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(CN(C)CC)c2)CC1 1286661064 WOFOIEYMNSUOSB-UHFFFAOYSA-N 430.600 4.551 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](CC)N2CCCC2)CC1 1286665112 SFYVTNSSMPTFCT-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(O)(c2ccccc2)CC1 1286671340 WQMZFTGQUYHJPO-UHFFFAOYSA-N 431.584 4.739 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=C(C(C)(C)C)CC1 1286699792 WUAWBZBBDNURPV-UHFFFAOYSA-N 435.620 4.601 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1286759001 HMBOGAOEHGZGIM-UHFFFAOYSA-N 434.563 4.871 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCCCC1 1286962573 BXWXJMRQULQXRH-MRXNPFEDSA-N 435.403 4.724 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3c(C)c4cc(Br)ccc4oc3=O)cc21 1289391070 UCVVANVFUSMPJJ-UHFFFAOYSA-N 438.281 4.652 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)[C@@H](C#N)CCc2ccccc2)C1 1299126331 FXUHUBPHWDVECM-XPWALMASSA-N 439.600 4.787 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(CCOC)Cc1ccc(C)o1 1300391628 CFAFHXJFNLRLGF-UHFFFAOYSA-N 430.911 4.705 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(COC)CCCCC1 1300476876 VRRJPACVBVSYLV-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H](C)N1CCC(C)CC1 1300813258 FDJBOMVYSOACHZ-YIXXDRMTSA-N 433.644 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H](C)N1CCC[C@H](C)C1 1300816147 IZLIICOQIDINLW-OREGWCPLSA-N 449.643 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCO[C@@H](c2ccccc2)C1 1300883845 FTOIOTBEYGAYOO-ZDXQCDESSA-N 438.616 4.816 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2nccn2C(F)F)CC1 1301110091 TUTSYANQHBJXLB-LJQANCHMSA-N 426.515 4.862 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301194679 NCGZZLQYFFAUBU-IBGZPJMESA-N 431.625 4.813 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1CC2(CCOCC2)C1 1301282728 HWPKHUYCCSFLFK-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccnc1)C(C)C 1301362665 HTIJVHXCWUPUKU-RBBKRZOGSA-N 437.613 4.871 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CCc1cccnc1 1301365110 HFUYPAMLSKYZKG-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@](C)(O)c2ccsc2)cc1 1304431173 CNZDLAOLYKMHSF-HTAPYJJXSA-N 441.626 4.586 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)C1 1306328094 HSHQHYJFBCWKOL-YPCDYVTLSA-N 434.632 4.954 30 10 IJEE Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N1CCN(c2ccccc2C#N)CC1 1309987946 FLRGODGJKCZUAI-UHFFFAOYSA-N 442.567 4.704 30 10 IJEE CCOC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(OC)c1 1310292489 GJJDKXJUIFLCEK-JXFKEZNVSA-N 441.553 4.763 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1)[C@H]1CCCc2ccccc21 1312252600 KCZOQXMEXLOQIA-NOZRDPDXSA-N 432.564 4.775 30 10 IJEE C=CCC(C)(C)CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1312764569 UXKJRXQRGOEOED-SFTDATJTSA-N 445.604 4.690 30 10 IJEE C#Cc1cccc(CNC(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c1 1312862455 LVIZRNDXDWGEHP-UHFFFAOYSA-N 441.959 4.558 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)Nc3ccc(C#N)cc3Cl)C2)CC1 1320523455 ANAHGEVEBURLOE-UHFFFAOYSA-N 432.952 4.857 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(F)c(C(F)(F)F)cc1F 1353816972 DYYRZQPUQNKINF-UHFFFAOYSA-N 430.325 4.727 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1nnc(C)s1 1358879256 NQEXSWVYHDCMAU-GFCCVEGCSA-N 435.384 4.503 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1358907327 LBLBCHKXTFOZHP-CXAGYDPISA-N 444.860 4.697 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@H](F)c1ccc(Br)cc1 1359068919 UFVKOANIGUMHSV-LAUBAEHRSA-N 442.336 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H]1CCc2ccccc21 1359107616 QNLLRVOUQMMICZ-GJZUVCINSA-N 438.616 4.841 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C)N(C)C2CC2)CC1 1359173485 HGOGBFVGQJGJOZ-PZJWPPBQSA-N 437.632 4.920 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1359181129 GOZODRKJIGMXQP-QHCPKHFHSA-N 439.648 4.853 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccco1 1359207118 ZOWILRXRXPKTLB-IBGZPJMESA-N 429.565 4.936 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC2CCCC2)CC1 1359220346 VXNQSJZSWPLOHM-UHFFFAOYSA-N 435.572 4.623 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCN(C)C1CCCC1 1359260613 JPIZUHWYJDTQAN-QHCPKHFHSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H]1C 1359262316 PCHRROFRNBKINS-LJQANCHMSA-N 432.597 4.555 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCCN2CCCC)C1 1359317791 QHFDZCJPFHEAGN-GOTSBHOMSA-N 437.632 4.689 30 10 IJEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cc1cnn(-c2ccccc2)n1 1359905737 BAVAZGDWGXXXQO-UHFFFAOYSA-N 427.895 4.568 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1OC 1447362368 ONFTVTMBMBJGLE-OHHDOMHQSA-N 429.516 4.790 30 10 IJEE C#C[C@@H](NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1)c1ccc(Cl)cc1F 1449314345 JADIMYTWAOFUHF-HXUWFJFHSA-N 442.947 4.766 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 1450322666 FBVPZGRYUZUXFZ-INIZCTEOSA-N 435.355 4.837 30 10 IJEE C=C[C@H](C)ONC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1452741979 YSNWFWPERAYHGA-JTQLQIEISA-N 433.352 4.635 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O 1458736173 TWDWSQQINDKZHN-ATNYBXOESA-N 434.005 4.657 30 10 IJEE C#C[C@H](NC(=O)CCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1460783105 BLFLAKMATFKNSP-INIZCTEOSA-N 426.232 4.771 30 10 IJEE C=CCn1c(SCC(=O)NC[C@]2(C)CC2(F)F)nnc1-c1ccc(Cl)cc1Cl 1461647872 HCXHNMYMAIPKJQ-KRWDZBQOSA-N 447.338 4.692 30 10 IJEE C=CCC[C@H](NC(=O)NCCn1ccc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1 1469491860 QJZFIVLJLXRCKK-HNNXBMFYSA-N 434.384 4.927 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1470667171 PUWISNFSEHQLTK-REWPJTCUSA-N 427.951 4.897 30 10 IJEE CC(=O)c1ccc(NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1C 1476291465 NRGKVUBEKLIYNR-BETUJISGSA-N 444.322 4.832 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Nc2cccc(C)c2)CC1)c1ccc(Br)cc1 1478897067 UZVSYTXEPQICCN-OAQYLSRUSA-N 426.358 4.718 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc(Br)cc1 1495560200 AEYRTIIMKMJQLG-KKSFZXQISA-N 430.394 4.927 30 10 IJEE CCCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1500825530 ADEUPCIUBIDDMV-OALUTQOASA-N 437.588 4.559 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1507576059 XKFWYOHPAXFANF-AZUAARDMSA-N 444.048 4.700 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(CSC)cc1 1507700498 SQDCLEFMQPXIQH-NHCUHLMSSA-N 426.630 4.568 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CCSC 1507747283 BWBIZVVPZFULKC-CQSZACIVSA-N 427.014 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCc1nccs1 1507813871 CMNYNTICLYSFPH-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCSCC(F)(F)F)CC1 1507879769 VXSVOBVUSBXHIK-UHFFFAOYSA-N 433.503 4.945 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC12CCC(CC1)C2 1507971711 BSBDYHVJMMTMIT-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1nc(C(C)C)cs1 1508027359 WYYURROLWTYWNG-OAQYLSRUSA-N 437.613 4.993 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCc2sccc2[C@@H]1CC 1508163164 UGHAXROIUYYTIW-IBGZPJMESA-N 425.627 4.758 30 10 IJEE CCCC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1514364670 GMYYERHLVGPMDC-FQEVSTJZSA-N 437.588 4.598 30 10 IJEE C#CCN(C(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)C1CCCCC1 1519836795 LTJLWCQXHQOYAT-UHFFFAOYSA-N 437.584 4.964 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 1520262086 FUFXEHBOEVVKEA-UHFFFAOYSA-N 428.513 4.846 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)c2C#N)C1 1523678295 DODRYIPHTADHGQ-YLJYHZDGSA-N 437.565 4.903 30 10 IJEE C=CCC1(C(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)CCCCC1 1524694303 JRUJQEIYHQOPMC-UHFFFAOYSA-N 430.036 4.980 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)cc1Br 1525724972 HRFFCYDYROONAM-USXIJHARSA-N 432.115 4.608 30 10 IJEE C=C[C@@H](CC(=O)NCc1cc(Cl)cc(I)c1)c1ccccc1 1526253516 ADNSQCUYXZHARB-AWEZNQCLSA-N 425.697 4.921 30 10 IJEE CC[C@@H](Cc1ccccc1Br)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1533602818 BZMFPVZELFHVRH-SFHVURJKSA-N 437.341 4.566 30 10 IJEE C=CC[C@@]1(C(=O)NCCOc2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1534819823 IHAZKOCDBWJGPO-NRFANRHFSA-N 443.371 4.834 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 1536750707 NWSXEJNJEWCCRY-UHFFFAOYSA-N 434.279 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1537258236 PINUKMLQYVYHGD-UVUJQTEASA-N 434.621 4.680 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2[S@@](=O)C(F)(F)F)cc1 1539197076 DSCNMEINAQNPMU-GDLZYMKVSA-N 425.428 4.576 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1ncc(C)s1 1539343130 FTDMCLBYOXPZPP-DOTOQJQBSA-N 427.549 4.585 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(CC)C1CCCC1 1539499957 SNNJBOHFTJBLHC-UHFFFAOYSA-N 439.448 4.904 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1539897520 GBVBXVTXLQJZEJ-OAQYLSRUSA-N 446.039 4.889 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539953824 NVDDCCSEVNZPJA-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN(C(C)C)C1 1540048239 SAIKMHKSSMWTJE-VXKWHMMOSA-N 425.621 4.778 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1nc(C(F)(F)F)cs1 1540080827 OFXOBMSUOOIBEM-UHFFFAOYSA-N 446.502 4.690 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)C1CCCCC1)C1CC1 1540116032 LRXQIDLTMDZWSF-OTPAQWSUSA-N 430.637 4.683 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@@H](C)C1 1540158398 GHWPTZVISUHERE-IRXDYDNUSA-N 431.378 4.701 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2csc(C)c2)C1 1540884184 LRKZCDMDJIIKCL-MJGOQNOKSA-N 442.560 4.757 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1540914960 GCPYMDDYUKQUJP-MOPGFXCFSA-N 447.674 4.896 30 10 IJEE CC(C)OCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1543866778 GSSUDGRKSFRMPQ-SBUREZEXSA-N 427.618 4.686 30 10 IJEE COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N(C)[C@@H](C)CC#N)N2CCCC2)c1 1554991498 CZYKUEDDTBMRHL-WMZHIEFXSA-N 436.604 4.520 30 10 IJEE C=CCC1(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CCCC1 1556587274 ZNHKKJGJAQBHIA-UHFFFAOYSA-N 430.545 4.801 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)s1 1556852799 JVRZGNULHQDOJQ-QGZVFWFLSA-N 430.574 4.517 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)cc2)nnc1-c1cccc(OC)c1 1559381310 NGGUAQUMGRGBOT-SFHVURJKSA-N 429.929 4.800 30 10 IJEE N#Cc1cc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1Oc1ccccc1 1562674039 GXZKOHKVQNVCAF-UHFFFAOYSA-N 441.466 4.715 30 10 IJEE CC(=O)c1cc(NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccc1F 1562776077 ILMOYEMRRYQMRH-QWRGUYRKSA-N 448.285 4.663 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 1569725268 RQMQNEQKDIUJEI-SFHVURJKSA-N 429.314 4.776 30 10 IJEE COC(=O)c1c(F)ccc(Cl)c1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 1583470831 HAXNLZPUPPKNEZ-UHFFFAOYSA-N 438.842 4.969 30 10 IJEE C#C[C@@H](NC(=O)CCc1cc(Br)ccc1F)c1ccc(Br)cc1 1583565495 IEOJGJLZFJTLPO-QGZVFWFLSA-N 439.122 4.774 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(OC(C)(C)C)nc1 1587614508 JRHSITSMQFRJQM-GOSISDBHSA-N 442.567 4.515 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 1588033444 XDQUHOGJBQUMLD-SQNIBIBYSA-N 443.371 4.712 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1C1CC1 1588288781 LCFOODNDGNWLGY-SFHVURJKSA-N 432.399 4.728 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2CCC[C@@H]21 1588985205 QHKWCXDGUMDDKS-BJLQDIEVSA-N 428.577 4.693 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(Cc1ccco1)C(C)C 1589078484 PZNSBQNVSQEDDN-UHFFFAOYSA-N 430.524 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCc1csc(C(C)(C)C)n1 1589207629 OMANNVROXAYISN-FDDCHVKYSA-N 427.618 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1589662804 BSXLCFIKQFOURA-RTBURBONSA-N 433.641 4.915 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCC[C@@H]2CC)CC1 1594012974 AAEPZYBOJREOEM-IRLDBZIGSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1594115157 NPUCGVLPKZEJLO-BGYRXZFFSA-N 442.677 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1594472275 BXXBKCQOAGVZFP-GOSISDBHSA-N 444.023 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1594503971 BXQNCOUNPKCLBY-QFIPXVFZSA-N 436.579 4.957 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1594511787 VIEZEPRYFNKUSA-UHFFFAOYSA-N 440.535 4.881 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCC(Cn2cncn2)CC1)c1ccccc1 1594534550 MBWNIRGNKBGYSE-OFNKIYASSA-N 433.604 4.660 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1594567174 NHCSEJXDCBNSKI-UHFFFAOYSA-N 441.473 4.567 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1594582895 VYCDXSIFAZHQSE-UHFFFAOYSA-N 445.011 4.539 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCC[C@H](C)C1 1594896300 VMANUJNHLRTEAB-FHWLQOOXSA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F 1595134114 SHHLHDLGXVGZGD-MOPGFXCFSA-N 434.506 4.939 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2[nH]c3ccccc3c2CC1)C(C)C 1595170924 MWCUBQTYBXSYKU-VWLOTQADSA-N 446.643 4.626 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@@H]1C(=C)C 1595233968 BEUXNVKGVABLBO-ISKFKSNPSA-N 429.568 4.556 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCOC1 1595244158 TYXACSMRGRZUHP-KRWDZBQOSA-N 444.938 4.992 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(CC)CCCC2)C1 1595755636 ZRHYCEHYUFRFIU-IBGZPJMESA-N 428.552 4.748 30 10 IJEE C=C(C)C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)OCC 1596596754 UPEOWKXNSYUHSP-MRXNPFEDSA-N 425.312 4.595 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCCCC1 1611319255 DKHWTIRLTWYKID-INIZCTEOSA-N 434.009 4.657 30 10 IJEE CS[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1620213516 APXKVAUHWVROTJ-FXAWDEMLSA-N 429.634 4.848 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1OC 1621154141 LRNJXRRFQPITGW-GOSISDBHSA-N 428.960 4.555 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1 1622434509 ZRILCGMTASDCIJ-FQEVSTJZSA-N 427.397 4.693 30 10 IJEE C[C@@](O)(C1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1)C(F)(F)F 1624023488 BELDYHIFSLMGBP-OAQYLSRUSA-N 433.430 4.908 30 10 IJEE C=CCCC[C@H](NC(=O)c1cnn(C(C)C)c1I)c1ccccc1 1625197563 WGIZXZDAQLRDAW-KRWDZBQOSA-N 437.325 4.896 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC#CC 1625335234 AGHMNOBJCJMHCS-HSZRJFAPSA-N 436.939 4.518 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cc2n1 1626676048 PANQANAWMZZDEQ-HXUWFJFHSA-N 443.334 4.772 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(CO)cc2)nnc1-c1ccc(Cl)cc1Cl 1627676223 ZHLKFBNWNNIVKT-UHFFFAOYSA-N 449.363 4.661 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1)c1ccccc1 1629173359 KZZDIWGFRLAMQL-UYAOXDASSA-N 436.581 4.753 30 10 IJEE C=CC[C@@H](NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)c1ccncc1 1631877664 IMGBCJOPJYCKDT-LJQANCHMSA-N 442.357 4.739 30 10 IJEE Cc1ccc(CN(C(=O)c2cc(F)c(C#N)c(F)c2)c2ccc3c(c2)OCCO3)s1 1633070491 CEVNODQOTUSGNL-UHFFFAOYSA-N 426.444 4.825 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)n1C 1634790613 ZCCQPAZQOZFGCJ-UHFFFAOYSA-N 427.273 4.858 30 10 IJEE C#CCC1(NC(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(S)nc3c2)CCCCC1 1635708577 SPGGQGVHWUBVHR-UHFFFAOYSA-N 445.588 4.747 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 1636098279 DZUUBGSAVFUZHC-RTWAWAEBSA-N 429.358 4.719 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)C1CC1 1636915606 JOBBYLCMDBBZRD-UHFFFAOYSA-N 437.396 4.624 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC23CCCC3)ccc1Cl 1640854902 XVJFQMKGUVVLEV-UHFFFAOYSA-N 444.984 4.880 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(OC)c(OC)cc2c1 1640934603 OTPJTMLMYHRTQX-QGZVFWFLSA-N 434.920 4.831 30 10 IJEE Cc1ccc(C)c(-c2cc(NC(=O)CN3CCC[C@](C)(C#N)C3)n(-c3ccccc3)n2)c1 1642374314 ICGKGSOCCJPXPS-AREMUKBSSA-N 427.552 4.720 30 10 IJEE CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(N)=O)c1cccc(Br)c1 1642485380 CSWARGSBKIWYSR-QFIPXVFZSA-N 434.337 4.646 30 10 IJEE CCC1(CC)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1653301911 HLQBTFHYHWCQNR-FQEVSTJZSA-N 440.632 4.648 30 10 IJEE Cc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1C#N 1653804686 HEUMHKZZAUAQAE-SGXKBVARSA-N 440.565 4.611 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C)c(C(=O)OCC)c2)c1 1653985477 QDIPRLFVUOHHOH-UHFFFAOYSA-N 439.558 4.610 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](Oc2cccc(F)c2)C1 1659820853 HYHDMIJHOJNZPP-MAUKXSAKSA-N 427.545 4.508 30 10 IJEE Cc1ccc(S(=O)(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1 1663876531 DYUNFFBFEKVAFB-UHFFFAOYSA-N 429.357 4.992 30 10 IJEE CCCCC1CCC(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1667371018 CYFAXHBYDPVEFU-UHFFFAOYSA-N 433.600 4.935 30 10 IJEE Cc1ccc2oc(CN(Cc3ccco3)S(=O)(=O)c3c(F)cc(C#N)cc3F)cc2c1 1667412199 CGOPZACMXFDFSG-UHFFFAOYSA-N 442.443 4.875 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)c(F)c1 1671852221 TWKIBCWPJOMBDF-URXFXBBRSA-N 443.494 4.682 30 10 IJEE CCc1ccc(N2CCN(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)CC2)cc1Cl 1672559703 GOOLXIZXVNHVAO-UHFFFAOYSA-N 425.964 4.503 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)C1CCOCC1 1674590138 INUALLFJSYFYLH-OAQYLSRUSA-N 432.351 4.529 30 10 IJEE CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1676079731 GQKHIFCAESDBAV-FQEVSTJZSA-N 440.547 4.634 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)cc(OC)c1OC 1676275038 MUNSXKCIZGPHGP-UHFFFAOYSA-N 434.536 4.582 30 10 IJEE Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1677478827 ASMOMXCETSIBOI-IBGZPJMESA-N 431.544 4.750 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3cccnc3Oc3cccc(OC)c3)cc2n1 1680698133 ASBURRDBVROBFG-UHFFFAOYSA-N 429.480 4.740 30 10 IJEE C#Cc1ccc(CNC(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 1681270567 ILDVMJGENRWVGY-QFIPXVFZSA-N 433.552 4.614 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCCC1 1689827505 GHUGJGGTRCLMDV-RBBKRZOGSA-N 437.632 4.757 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@](C)(C#N)C1 1689915113 QBJKUZCNOPEDGE-AREMUKBSSA-N 426.568 4.896 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1690384221 JZTBVPXTASEQNA-NRFANRHFSA-N 437.613 4.931 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690477071 YOZPCSJZZKNTBU-AWEZNQCLSA-N 445.892 4.777 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)CN(C)C 1690563143 HWEJRNZRULALRN-UHFFFAOYSA-N 439.007 4.774 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCO1 1690586708 SRNWLHNCZOHUNR-GOSISDBHSA-N 431.378 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@H]1OC 1690586878 VLFJCKQTPOANAA-PKOBYXMFSA-N 431.378 4.701 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 1690680431 RWDAYQORAAUGLF-UHFFFAOYSA-N 437.632 4.717 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CC[C@H](CC(C)C)C1 1690683583 ONPPDYCAMJPOSZ-OAQYLSRUSA-N 431.584 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)SC)C1 1690686731 SPGPPRBMVTZZHL-VQTJNVASSA-N 444.645 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)Cc2cccs2)C1 1690706305 IDCXPBKYXRZXQM-WIYYLYMNSA-N 440.588 4.730 30 10 IJEE CCN(CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N)C(C)C 1695751470 DHQHRYCYNUMWFI-SFHVURJKSA-N 428.650 4.744 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1705520786 GJPAAFFCKPDYCD-UHFFFAOYSA-N 449.643 4.732 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1705558312 RQTBHZNKRPWSHZ-LJQANCHMSA-N 446.064 4.661 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N2CCCC2)nc1 1705607547 HUQOMYYSMCLBCQ-UHFFFAOYSA-N 442.611 4.746 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CCSC(C)C 1705619586 VSMHELJFDFXPFX-UHFFFAOYSA-N 443.979 4.914 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H](C)C1 1705654693 QKGJUHABGFNJPC-UONOGXRCSA-N 439.448 4.618 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1705667005 ZTZGOHWWGODICB-RXVVDRJESA-N 428.577 4.522 30 10 IJEE C=C(Br)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCC1 1705690458 WQVROHCPABATKA-UHFFFAOYSA-N 439.785 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nccn1C(F)F 1705719977 RQFFNLPUCVZTRQ-UHFFFAOYSA-N 436.894 4.553 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1705726985 VELPOPNTDDYIOB-NZQKXSOJSA-N 435.641 4.996 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](SC)C(C)(C)C)CC1 1705772318 MLPBTMVMNCPSCJ-HXUWFJFHSA-N 430.618 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1705788184 RVOLZKVBKNBXRZ-SFHVURJKSA-N 438.963 4.649 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705822805 RBOGPFSZPLNEFI-RTWAWAEBSA-N 438.616 4.984 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCc1csc(C(C)(C)C)n1 1705848740 PUECZUWYSYMVGU-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CCOc1cccc(C(F)(F)F)n1 1705872570 CJOGKMFPIZOPHG-UHFFFAOYSA-N 447.436 4.755 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705948860 HIZSQCVXNYNVMW-WOJBJXKFSA-N 445.702 4.717 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2CCC[C@H]2CCCCO2)cc1 1707563197 COJXPNIVHNLCMV-OAQYLSRUSA-N 439.629 4.968 30 10 IJEE CN(Cc1ccsc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1 1711115780 DNYVTYONOHRGCZ-QGZVFWFLSA-N 443.523 4.862 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC(C)(C)c1cccs1 1722302590 JODDCYLANMVKTA-SFHVURJKSA-N 438.597 4.753 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722386183 RMYSQPIINHWMSF-FPOVZHCZSA-N 444.501 4.607 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1722451593 LVKCCHJYBNKSLB-SQNIBIBYSA-N 433.021 4.920 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCCCCC1 1722455559 UVEMBBZQIKXXPF-UHFFFAOYSA-N 442.629 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C[C@H](C)CC 1722492639 GDXNCABRJISSIH-LMNJBCLMSA-N 427.549 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(F)F)c1 1722501277 MSLBLBBZODTHQI-HSZRJFAPSA-N 434.531 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1722515131 OPYPEUMMEIYMOS-QFIPXVFZSA-N 438.645 4.648 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)CN(C)C)CC1 1722564016 GAGODOIJOLNWRV-FQEVSTJZSA-N 441.620 4.561 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(COC(C)(C)C)on2)CC1 1722576727 OEWIJKXSYKKTFS-UHFFFAOYSA-N 446.555 4.571 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(C)COCCO1 1722595768 UPWUFOVCWUFIFI-SANMLTNESA-N 449.599 4.790 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccco1)c1ccccc1 1722597943 XXCWZBSJMMZZOI-FPOVZHCZSA-N 433.556 4.551 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1722633185 DAIJPLFSVHJEMD-GRWTVWFQSA-N 430.980 4.899 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1)C1CC1 1722653526 GGGWILUYYPPNSC-UHFFFAOYSA-N 444.023 4.787 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1Cc1cccc(Br)n1 1722676995 QFSJRHIBHNXUPU-UHFFFAOYSA-N 442.361 4.580 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(N2CCCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1727713277 HQPWDDAEWDHAND-IRLDBZIGSA-N 434.632 4.990 30 10 IJEE COCCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1730617924 DHCJSDAYEONBOL-UHFFFAOYSA-N 444.583 4.752 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1CCC(F)(F)CC1 1740548822 IMLVOYXOECANEO-INIZCTEOSA-N 425.483 4.884 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1740565703 FEDDYHNKTHZICD-WIYYLYMNSA-N 433.383 4.777 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(F)c1 1740597503 UTLBDJYGFCPQFH-FQEVSTJZSA-N 441.551 4.539 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCc1ccnc(C(C)(C)C)n1 1740675750 HRNSAKYLMDFYMC-UHFFFAOYSA-N 448.590 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CC1(N2CCSCC2)CCCCC1 1740726184 YVKHLIHXIQEUFM-NFBKMPQASA-N 429.678 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)C1CCC1 1740755776 LWQOOKCOWAIGEM-HNAYVOBHSA-N 431.378 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1CC 1740767036 OISGBQXUMCLNNC-UYAOXDASSA-N 432.012 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc([C@@H](C)O)cc1 1740769159 RWGLFIHSSKUCIQ-OAHLLOKOSA-N 444.377 4.540 30 10 IJEE C=Cc1ccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC(C=C)CC2)cc1 1740832407 RVVRYEWDMJIIGA-UHFFFAOYSA-N 447.608 4.558 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1740840723 KDVSLAISRJYJGB-AJTFRIOCSA-N 435.660 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740852312 LFLZFXXTABPCPB-LEWJYISDSA-N 425.621 4.687 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CSCCS1 1740892584 JHVCYCBVVMSFMW-QGZVFWFLSA-N 443.667 4.848 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](C)N1CCc2ccccc21 1740934746 PORLLGIUUKOKSZ-FQEVSTJZSA-N 433.600 4.855 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSCC1 1741004577 FSCVLMIAKZWYJP-UHFFFAOYSA-N 445.441 4.636 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H](C)C#N 1746990656 AIUVRISLLIAHLC-IRXDYDNUSA-N 429.634 4.790 30 10 IJEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCC[C@]2(CC=CCC2)C1 1748762041 FABZRGNACWEDFR-AREMUKBSSA-N 434.584 4.996 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1CCO[C@H](C)C1 1748770700 DLSKNPCDUYXPJR-AABGKKOBSA-N 445.007 4.963 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCC[C@H]1C 1748915034 RUXTZNAOBPVRKN-WOJBJXKFSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749069189 VMGBCVNAMNKYGN-VANUSSGQSA-N 437.607 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC1(CCOCC)CCCC1 1749072411 MWZWAJRJRTWFLR-HSZRJFAPSA-N 426.630 4.910 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCC)CCC 1749368467 KAXYNCZCHHRLAQ-LJQANCHMSA-N 449.640 4.815 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1749431297 ZZNRICWPNCFCIS-MOPGFXCFSA-N 433.641 4.963 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2CCCCCC[C@H]21)C(C)C 1749557015 FIILUSPHKNXFQV-OLKYXYMISA-N 441.664 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1749587022 FMVQZOVWTOQYHX-WOJBJXKFSA-N 445.567 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CC1CCC(C(F)(F)F)CC1 1760123444 GBUUNWNJZCUFIF-VIQWUECVSA-N 434.506 4.992 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)[C@@H](C)CC 1760227287 AUHCDFSOSGFYHR-AFMDSPMNSA-N 433.600 4.609 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cc(Br)cs1 1760232120 TVXYICBXVQUPRL-UHFFFAOYSA-N 440.370 4.758 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)C(F)(F)F 1760246776 CCKGYNNOFAIAEH-UHFFFAOYSA-N 436.522 4.917 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760284438 LZEDAAFPCQBESB-WIYYLYMNSA-N 426.630 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CCCS1 1760340369 WKRQPMAXVMSKIC-IEGUWTFLSA-N 449.665 4.737 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCCC2(F)F)CC1 1760384672 CDUUZTAOABFRPB-KRWDZBQOSA-N 432.515 4.944 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760451205 BVSZCCXIEAPKPH-MRXNPFEDSA-N 439.025 4.752 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760492331 OWGXSELZHAFEPA-MRXNPFEDSA-N 439.913 4.661 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCC=CO1 1761605754 GMDRFJPQSGERJO-QFBILLFUSA-N 434.569 4.666 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1766153718 ANAKBEROXHUVBD-GGPKGHCWSA-N 440.661 4.744 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(C)CCCS1 1768987011 DWRGKKJNBGLKGJ-IIBYNOLFSA-N 431.631 4.603 30 10 IJEE O=C(/C=C/c1cccc2ccccc12)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860728118 XMVRXDITPOBFQO-NTCAYCPXSA-N 431.447 4.836 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)c1cc(CC)n(Cc2ccccc2)n1 1860996349 WRTDHSJVPJMION-OAQYLSRUSA-N 440.632 4.869 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862395507 ZAUVIWKDONGEGD-HXUWFJFHSA-N 448.346 4.907 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 1862418836 LYAXBYKLLKKGNB-FQEVSTJZSA-N 442.418 4.784 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1862434944 KPQPPMWQPSNXHC-NRFANRHFSA-N 441.911 4.880 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Br)ccc1F 1862499279 CPBOCQUGZGQOIC-LJQANCHMSA-N 444.300 4.969 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)cc1OC 1862509426 HLIFNAWAUAAXIS-NRFANRHFSA-N 427.472 4.528 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(OC)c1 1862525118 USWUQJAZDFQETI-IBGZPJMESA-N 444.325 4.836 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Br)cc1 1862540376 MOFYMSCZTZDKPE-IBGZPJMESA-N 428.326 5.000 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(Cl)c1 1862618250 RTRRNNOGVVRZSY-HXUWFJFHSA-N 427.928 4.862 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc3cc[nH]c3c2)c1 1862702085 UJEWBIVSOXQEQY-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE CCCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(F)cc2)C1=O 1862764971 FOPWYEDNBRAALE-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c1 1863066589 VXMQOZUYKKOFNS-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=C(c2cccc3ccccc23)C1=O 1863227757 GIKBVUAIOLDUQQ-UHFFFAOYSA-N 433.851 4.779 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(Br)cc2C)=C(c2ccc(F)c(C)c2)C1=O 1863468140 FIIDTQQSXYOPIH-UHFFFAOYSA-N 443.316 4.891 30 10 IJEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(CCc2cccs2)C1=O 1863501320 BTBRHVPUQCARNL-UHFFFAOYSA-N 438.512 4.536 30 10 IJEE CC(C)c1ccccc1OCCCC(=O)Nc1c(C#N)nnn1Cc1ccc(Cl)cc1 1870111417 MMLDGDNGVUFXNF-UHFFFAOYSA-N 437.931 4.773 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(Cl)c1)C3=O 1871351327 VLTBBTFRGKRVSH-BKUYFWCQSA-N 426.944 4.758 30 10 IJEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871369243 BHMPIOMKLODVOE-JAIQZWGSSA-N 446.371 4.647 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 1871396623 OYCRCLVMTYJNRA-ZOJNTWNKSA-N 435.520 4.581 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)NCc1ccccc1Cl 1871447639 ACPMLJHJLONMGU-JJFYIABZSA-N 437.854 4.791 30 10 IJEE CCCCCCCCN=c1nc(N2CCCCCC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616798 WHPBIAZDILCWAS-UHFFFAOYSA-N 439.652 4.678 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 1871871586 OVQVSMNRJHCEPX-KRWDZBQOSA-N 426.991 4.632 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 1872065223 QZHDLBMQBVVEAI-OAQYLSRUSA-N 436.524 4.647 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccccc1 1872066371 UOBPNULXXDARIE-QFIPXVFZSA-N 432.561 4.898 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCCC)NS(=O)(=O)c1ccc(F)cc1 1872614104 ZNHNXYUDJQJQLT-NRFANRHFSA-N 428.614 4.920 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)cc2C)cc2c(N3CCCC3)ncnc21 1873650562 PLFZVZUWGNTPEE-UHFFFAOYSA-N 440.345 4.541 30 10 IJEE Cc1ccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SCCCO)cc1 1874213959 NSVHNQCTNRAGPU-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc2c(c1)OCCO2 1874254971 YHJMWHUIQNWIOU-ZMOGYAJESA-N 438.553 4.548 30 10 IJEE Cc1ccsc1/C=N/n1c(SCc2ccccc2)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874332950 CIMOSFMHVYZLTB-KCDOPAPYSA-N 439.610 4.547 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(O)cc1 1874439413 ZQOSSJLKPBWUKC-LPYMAVHISA-N 425.514 4.655 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cccc(C)c1 1874443690 IITAFXKURAZEBY-XAOCGEIJSA-N 449.580 4.613 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc2ccccc12 1874477764 KQJHHUKRYQVOQO-CVKSISIWSA-N 447.564 4.658 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 1874576856 JIEXTBLIBAQCOM-DTQAZKPQSA-N 431.488 4.926 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCCO)c2Br)cc1 1874596527 YDRKEBSEIZJNNP-UXBLZVDNSA-N 435.314 4.514 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOC(C)C 1874663608 RAIMIMODIJJTKR-XMMPIXPASA-N 443.632 4.877 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1875117522 JMQUKHPYUBRXTL-QQDOKKFESA-N 436.351 4.757 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1[N+](=O)[O-] 1875150033 UYUSGHSRYSSHDP-BJMVGYQFSA-N 431.400 4.747 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 1875157660 IVCIMEPWQWTMEE-XCVCLJGOSA-N 436.351 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)CCCSC 1875162010 SEGVILPOTJZSMD-RMKNXTFCSA-N 436.476 4.927 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(Cl)cc2Br)c1 1891691674 RTOCHZWABWZABT-UHFFFAOYSA-N 449.776 4.761 30 10 IJEE CC[C@@H](C#N)SC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307868 VWLSMXDEORJSFB-BTYIYWSLSA-N 438.549 4.792 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1CCC 1922074897 RILFZHLDXSQJRD-MVERNJQCSA-N 446.632 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1ccccc1NC(=O)OC(C)(C)C 1922075260 VHMPYOXPEHBITL-DHIUTWEWSA-N 426.557 4.818 30 10 IJEE CC(C)(C)OC(=O)NC1(C2CCN(c3cc(Br)ccc3C#N)CC2)CCC1 1965668257 XTZXLJZRWSUYRK-UHFFFAOYSA-N 434.378 4.985 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C=O)(Cc2cc(Br)ccc2Br)C1 1982455755 NSBRPNQSUNJTAK-KRWDZBQOSA-N 447.167 4.580 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]2CCN2C(=O)OC(C)(C)C)c1 1999884383 UAOUQOSXEFINBR-FDDCHVKYSA-N 431.533 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)NCCC 2014403301 FOXRZKKTUGXKLQ-ZLNRFVROSA-N 432.605 4.590 30 10 IJEE C=CCC1(C(=O)N[C@H](C)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2060603279 OMTXMEUMLCAKMP-GFCCVEGCSA-N 429.380 4.501 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]1C1CC1 2073784162 XJFDECJCQGUBFM-HTAPYJJXSA-N 448.568 4.996 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(Cc2ccccc2)C(C)(C)C1 2079263163 QQEAKIUZCQKSMR-SANMLTNESA-N 442.648 4.902 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2c(F)cccc2C(F)(F)F)c1I 2080758677 GHTCOPGTOYDMBA-UHFFFAOYSA-N 438.084 4.868 30 10 IJEE Cc1cc(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)ccc1C#CCCO 2095883706 QGMFXBKBZTZOAJ-UHFFFAOYSA-N 440.587 4.503 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCCC 2126707087 YZKNICOWAVEGQZ-HZPDHXFCSA-N 433.337 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(Br)cc2C#N)C2(CCCCC2)C1 2174808045 JMTOUKHAMFYBIK-MRXNPFEDSA-N 435.366 4.522 30 10 IJEE CC1(C)CC[C@H](C(=O)Nc2ccc(C#N)cc2Br)N(C(=O)OC(C)(C)C)C1 2181106681 YTVQOACKDPNAHK-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181149041 YXUGQCVEATVMQG-IIYDPXPESA-N 436.350 4.541 30 10 IJEE CC1(C)CC[C@@H](Oc2cc(Br)cnc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2198815411 LWGPOYIAHIPGRF-CZUORRHYSA-N 438.366 4.814 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2scc(Br)c2C)CC1 2226121531 KHHVIKYEXCTARR-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE CC[C@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccccc1Br)C(F)(F)F 2227477555 XFXDVHPVKWDMRZ-KRWDZBQOSA-N 434.252 4.606 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(C)(C)F 2235729601 NGSDVSIGHBUPLV-MSOLQXFVSA-N 441.385 4.810 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2235730372 OLLZBEFXNCKKTE-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CCC[C@H]1NC(=O)OC(C)(C)C 2235730415 OQRLPDVMZPPQML-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#Cc2ccccc2Br)C[C@H]2CCCC[C@@H]21 2235732396 RTXSZPPBIYKLNZ-LMCOJAPRSA-N 433.390 4.696 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2235748825 DBQGHOMEUXBKTH-OALUTQOASA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@@H](N)C#Cc3ccccc3Br)(CC1)CC2 2235750790 YSWLGFIBSDLDKQ-XTWGIRIWSA-N 433.390 4.746 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3cc(Cl)sc3Cl)n2)OC1(C)C 2241215173 BGFLXPFZTSNVMZ-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 2296218104 APBWYDWNMQVYFA-CNNODRBYSA-N 433.390 4.711 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 2296218287 CJLYFJUFADKNEM-SFHVURJKSA-N 433.390 4.616 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296226003 AXZDEVZYKYUYOY-LNKGRISISA-N 435.406 4.670 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296272958 MWENCAUEXMHTCA-IEBWSBKVSA-N 448.382 4.758 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 2296298868 ONZVFBYPAOEFNY-HSALFYBXSA-N 433.390 4.567 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 2296562343 BVWLNZLTCSQAAU-KRWDZBQOSA-N 433.247 4.818 30 10 IJEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(Cc3ccccc3)C2)s1 2303023159 AJQMUACDQZNMQN-DEOSSOPVSA-N 441.597 4.800 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2304626991 XOAISACPNBRKEQ-DNRQZRRGSA-N 428.573 4.555 30 10 IJEE C=CCN(CC(=C)Br)Cc1cc(I)ccc1Cl 2307310527 VRXDWVJIOCLNHM-UHFFFAOYSA-N 426.523 4.841 30 10 IJEE C[C@H](Oc1cccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1)C(=O)O 2314931604 PJYLVUOSNGWWDF-JTQLQIEISA-N 437.304 4.737 30 10 IJEE CN[C@@H](C#CC1CC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315716041 ZSRHHYOFCQEWMK-LBNVMWSVSA-N 427.544 4.879 30 10 IJEE CCCN[C@H](C#Cc1cnn(C2CC2)c1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2318060861 ARLMYFFNTUAYAT-HSZRJFAPSA-N 436.600 4.765 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OCC(=O)OC 2324538763 WHWSMWHWJWGXAV-UHFFFAOYSA-N 444.911 4.842 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1C)OC(=Cc1ccc(OC)cc1OC)C2=O)C(=O)O 2324778165 YSPOZOCCDWIFFZ-LJQANCHMSA-N 426.465 4.651 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1OC(=CC=Cc1ccccc1)C2=O 2324966946 GPCBRWKWODYGHK-UHFFFAOYSA-N 425.484 4.863 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)[C@H]1CCCO1 2325763079 CRYGNMCBDWNJGO-HXUWFJFHSA-N 430.884 4.646 30 10 IJEE CCOc1ccc(C=Nn2cnnc2SCc2ccc(C)cc2)cc1Br 2326287282 JDYYORZGKDYSKC-UHFFFAOYSA-N 431.359 4.922 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2cccnc2)cc1 2330251460 PHDKMBVRJFIONY-UHFFFAOYSA-N 436.541 4.879 30 10 IJEE CCCSc1nnc(Cc2cccs2)n1N=Cc1cc(Br)ccc1O 2330418967 PRRRXTQYVOBAFZ-UHFFFAOYSA-N 437.388 4.783 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccc(F)cc1F)Nc1ccccc1 2330627308 GCZZQSDFGUQKCB-UHFFFAOYSA-N 449.486 4.836 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 2330627477 HIXRJFRNYZKYQN-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE Cc1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2330800353 AQHYFBFRXXXXPZ-UHFFFAOYSA-N 439.541 4.963 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)[C@H]1CCCO1 2331413973 WXVYTFHPQRVQLO-OAQYLSRUSA-N 438.520 4.982 30 10 IJEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc(OC)c1O 2331425194 WIXDBXHBYPRSEG-UHFFFAOYSA-N 440.569 4.682 30 10 IJEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332188796 WVKYIZIBRHIQAU-UHFFFAOYSA-N 425.879 4.972 30 10 IJEE CC[C@H](N[C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338524890 WNORHKJQOVBYLV-RXVVDRJESA-N 446.441 4.672 30 10 IJEE CC(C)[C@@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339604842 VRLMWMSGCFEEQM-JKIKYLSZSA-N 446.397 4.997 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(Br)cc(COC)c2)C1 2362283217 XERQXUOZDZZRFF-GOSISDBHSA-N 439.394 4.717 30 10 IJEE CC1(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CCN(Cc2ccccc2)CC1 2364924842 ZEIPNOQBJILVCL-UHFFFAOYSA-N 445.416 4.572 30 10 IJEE COc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(Br)c1O 33291539 WCDLVCIQABLUHW-CXUHLZMHSA-N 433.327 4.672 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)/C=C\c1ccccc1 33696755 HHCPWTFUQURIKK-FVDMPLEPSA-N 442.584 4.950 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccccc2OC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 34954442 KKWOMYCKWNMAOA-RAXLEYEMSA-N 433.416 4.727 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 35724865 UYTZXRMWSYJKEO-DNVCBOLYSA-N 448.552 4.560 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCC)c1 40096020 MCCSGQMOXMLBRI-HJPURHCSSA-N 435.520 4.787 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)OCc4ccccc4)c3C)C2=O)c1 41432515 ATWUKQFAXGACAS-UCQKPKSFSA-N 430.456 4.742 30 10 IJEE CN(C)C(=O)CCSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59816737 DDSMJPOAZVRMON-AFUMVMLFSA-N 442.548 4.719 30 10 IJEE COc1ccc(C)cc1NC(=O)N1CCC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96309834 YQDYZSKTCFIMSP-VWLOTQADSA-N 448.571 4.644 30 10 IJEE biogenic CCCCCCCCc1nnc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)s1 105727480 RQKKZUSVEXTRRV-UHFFFAOYSA-N 427.574 4.984 30 10 IJEE O=C(Oc1ccc(/C=N\n2c(S)nnc2CCc2ccccc2)cc1)c1ccc(F)cc1 169911378 NBECMBQDHVOHBK-QQXSKIMKSA-N 446.507 4.593 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2O)c1 169932063 GNYWUZGRCCMGLC-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc2ccccc12 170045134 IGILZXXABDYFDG-RLWLMLJZSA-N 441.527 4.916 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(O)c2)ccc1F 170082642 CRRGRZLXLJOASX-OAQYLSRUSA-N 439.389 4.901 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccco2)cc1 170095124 XNIXMNCSDPIYRN-QHCPKHFHSA-N 445.471 4.785 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(N(C)C)cc1 170129131 LEKGHCIPQNBELK-QHCPKHFHSA-N 436.552 4.776 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccn1 170170380 KBSQZQYXJKQJMG-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)c1 170173810 BXYXZGARPFLAJU-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccccn1 170175583 OTWYUBATKFQTQE-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c[nH]c2ccccc12 170256548 HTBVDKOBCZBJRS-QHCPKHFHSA-N 446.503 4.706 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccco1)c1ccc2c(c1)CCCO2 170282110 LWIBFFWIOSGUOP-NRFANRHFSA-N 437.398 4.666 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1 170289793 PSROSDRUOMQVOQ-QFIPXVFZSA-N 428.444 4.723 30 10 IJEE CC(C)CCN(CCC#N)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 303144135 BQEHBFBXTWWYIX-UHFFFAOYSA-N 443.389 4.916 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cn1)NCCC 407589057 LMFSNGQXBZKVDQ-MSOLQXFVSA-N 426.399 4.614 30 10 IJEE N#CC1CCC(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)CC1 441683763 WFQOVANACLMTOV-UHFFFAOYSA-N 430.961 4.783 30 10 IJEE C=CCN(C(=O)[C@@H]1CCCCC1(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 448139181 LRKVLCWSDTVUIL-SFHVURJKSA-N 432.611 4.949 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCc2cc(OC)c(F)cc2C1 460380429 NIEDFTMBJVGMQP-UHFFFAOYSA-N 431.515 4.637 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCCNC(=O)c1ccc(Br)cc1 475564127 LQMSUKGSLRGPBC-UHFFFAOYSA-N 444.373 4.853 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 476122798 LQDVZRCNBQDTFK-IBGZPJMESA-N 432.520 4.566 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 476653893 DOTVZWARLOESGD-ZWKOTPCHSA-N 444.560 4.816 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508473158 NMQZMHIZVHDYBX-MRXNPFEDSA-N 429.977 4.845 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508819046 VZSQKNKUJJKTOG-UHFFFAOYSA-N 440.494 4.507 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)cc1OCC 526490353 MPCXQEYTQVSBSX-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)CC2)c(F)c1 558032815 YAUBKWQEVCYSCZ-UAPYVXQJSA-N 427.907 4.850 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(C(C)=O)cc1 586218106 FEIUIPCHOZLPQQ-UHFFFAOYSA-N 448.544 4.782 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c(F)c1 609239913 JGOPUFADFHMCLD-UHFFFAOYSA-N 446.360 4.883 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2)cc1OC 619819190 KDUIGTCIQDIKED-VWLOTQADSA-N 431.540 4.531 30 10 IJEE C#CCN(C[C@@H](Cc1ccc(Br)c(F)c1F)NCCC)C(=O)OC(C)(C)C 701320659 YPBDLOMXMLDJGJ-OAHLLOKOSA-N 445.348 4.508 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 729570370 HBIGWHFFCUXYHB-IBGZPJMESA-N 436.512 4.872 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 741871430 BTFNCLBETARYGL-SFHVURJKSA-N 430.961 4.764 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 803519294 CXGCCYXZTMHLMP-KNQAVFIVSA-N 432.593 4.759 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1/C=C\c1ccccc1 809893445 NXJHJAYRLMZOTG-VJVQGEDVSA-N 443.551 4.573 30 10 IJEE C#CCN(C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C)C1CCCC1 810156179 VDIIKMXBUUHMCF-HDICACEKSA-N 441.572 4.517 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 810473442 CARKQDDISIHYOT-IBGZPJMESA-N 442.824 4.854 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(-c2ccccc2F)o1 863493294 DOSDHCIBTQZQNN-INIZCTEOSA-N 436.439 4.586 30 10 IJEE CCCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 1125616568 FZDKKKLUFXEXGW-RUZDIDTESA-N 441.579 4.569 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCCCCC1 1127148929 CZLKJYVKVYFDAU-UHFFFAOYSA-N 443.588 4.792 30 10 IJEE CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cccc(Cl)c1Cl 1128129548 BPNTXUXWJHZNLT-CYBMUJFWSA-N 436.726 4.924 30 10 IJEE C=CCc1cc(C(=O)N(CCCOC)[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc(OC)c1OC 1128323938 AJOOSILRCPLZCU-LFDQFFAPSA-N 427.585 4.736 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N=[S@@](C)(=O)c2ccc(OC)cc2)s1 1134005971 ZFYYBLTUCPDHEA-SANMLTNESA-N 431.004 4.531 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)CCCN1C(=O)OC(C)(C)C 1136325136 JTDAGQXWULIRBR-XMMPIXPASA-N 434.496 4.554 30 10 IJEE C/C(=C\c1ccccc1)CN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1138232130 YTHBRABIUZYPNG-KOZCBZIKSA-N 445.563 4.954 30 10 IJEE C#CCN1CCCN(C(=O)[C@@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 1147283212 DYJOVWRVUHTCFD-NRFANRHFSA-N 433.404 4.994 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)COc3ccc(Br)c(C#N)c3)CC2)cc1 1166923452 CSADLXKNTLYYOU-UHFFFAOYSA-N 441.369 4.879 30 10 IJEE C#CCN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCc2ccccc21 1176451256 ADSSUERUBHMBQN-GHTZIAJQSA-N 448.788 4.855 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2c3ccccc3OC[C@@H]2F)cc1OCC 1179579219 NAYPWDIZQNTEGL-FXAWDEMLSA-N 436.321 4.974 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 1197283355 ARWJRXINOMVPJR-YJBOKZPZSA-N 427.998 4.627 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2cc(Br)ccc2Oc2ccc(Cl)cc2)CC1 1215564673 CSURTSBLRCDTGL-UHFFFAOYSA-N 449.732 4.887 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F 1229989939 PCCDBJBXELWQHQ-UZLBHIALSA-N 426.866 4.577 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1nc(-c2cccs2)no1 1276765780 BXBAHVYOSRGHEI-CYBMUJFWSA-N 434.443 4.690 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1286278118 LKFUOJWICOSNKT-WBYGSUFKSA-N 442.579 4.999 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCCn1ccnc1C 1286362699 GXOUKSJQHZEAKQ-UHFFFAOYSA-N 438.988 4.868 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1csc(CC)n1 1286363077 NCQIRPDIXGRVLV-UHFFFAOYSA-N 448.621 4.708 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccc(OC)cc2)CCC1 1286440957 NXIGAVOQBQZTMO-UHFFFAOYSA-N 435.959 4.584 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C(C)C)C1 1286458597 ZDKFNXCIYUVCFK-QFIPXVFZSA-N 439.623 4.766 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C 1286553535 VMNPOGSBOFLQBQ-YLJYHZDGSA-N 444.004 4.981 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C)C1 1286603057 KPYCPZIYPUHMGW-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1C)c1ccccc1 1286617172 JPBYZTVLOFGNGT-MRXNPFEDSA-N 426.362 4.748 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](CC)N2CCCC2)CC1 1286638432 BGSFYFYBUPNNMB-IBGZPJMESA-N 431.531 4.577 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1286651837 MYQNAKGADIMMTF-LQBOVUBWSA-N 428.552 4.775 30 10 IJEE C=Cc1ccc(CCn2c(N3CCC(C=C)CC3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1286653590 LCTJWOQYAOOAAS-SANMLTNESA-N 436.600 4.607 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286694389 QJUSVDDAECDACC-INIZCTEOSA-N 433.478 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CC1(N(C)C)CCC1 1286750075 OHCWTJKPGHWBFB-UHFFFAOYSA-N 439.604 4.746 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(F)F)c1 1286763952 ACJUWOFSOOJMAV-LJQANCHMSA-N 428.483 4.596 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 1290672549 GWSPHYMIRAYYNT-HSZRJFAPSA-N 437.948 4.656 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)C(C)C 1292958587 XEYCQKQREGUNRW-QFIPXVFZSA-N 444.982 4.582 30 10 IJEE C=CCC[C@@H](CO)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 1297803154 VIBASSBAFMOXMG-XUJKWMDPSA-N 427.429 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCCN1CCCCC1 1300286576 KWFSKSAKAYJJKP-GOSISDBHSA-N 431.987 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1cc(C)ccc1OC(F)F 1300809008 ZOLDJFMWEPAGSA-HSZRJFAPSA-N 442.535 4.881 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(COC)CCC1 1300901797 SYEZIQRHBBOUDM-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCC[C@@H]1C 1300917500 HIKHVCXKKKOQPO-IBGZPJMESA-N 431.575 4.814 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1300944667 BRQXVHKDPCDVTG-OAQYLSRUSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)C2CCCCC2)CC1 1301119658 RFZZCCOXUKAYSG-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301160437 QYADTSBNLJQYTR-FCHUYYIVSA-N 438.616 4.939 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H](C)c1c(C)noc1C 1301339738 RPZGCJDDUPWXMD-GOSISDBHSA-N 432.572 4.949 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccsc1)N(C)C 1301380288 AXFICGXWGJLKNP-QHCPKHFHSA-N 446.624 4.980 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC(C)(C)c1cccc(F)c1 1301410347 CMTDJUGTZPZFBI-UHFFFAOYSA-N 446.530 4.680 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301621145 RNDQLBQWXFOXJK-IYBDPMFKSA-N 440.535 4.643 30 10 IJEE C[C@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1304987894 CQEKNUBLHSAAKU-MAUKXSAKSA-N 437.498 4.608 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)C[C@@H](C)O1 1306449513 IDGIEDURQVUBIY-HMXCVIKNSA-N 437.588 4.559 30 10 IJEE CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1cc(C)c(C#N)cn1 1311069877 BNGIZOCTJHTSMJ-UHFFFAOYSA-N 436.537 4.965 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Oc2cccc(OC)c2)nc1)c1ccc(Cl)cc1F 1311351206 CLOUYPCCIWXXJQ-NRFANRHFSA-N 439.874 4.849 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12 1312790094 VDBCPMLLLNFMCC-UHFFFAOYSA-N 429.564 4.515 30 10 IJEE C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)c1ccc(C#N)cc1 1354918349 IBOLJOVUMXTXGP-QZTJIDSGSA-N 446.528 4.616 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1357290639 HSHRIZYFJPZKCU-NRFANRHFSA-N 431.363 4.855 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1358906763 RYFAOEIQYKJMHZ-IAGOWNOFSA-N 431.353 4.742 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C 1358912194 KUXZGYMYOUORFY-IBGZPJMESA-N 429.609 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCCc1nc2c(s1)CCCC2 1358942963 QOQZNAYZSIKNBJ-UHFFFAOYSA-N 425.989 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1c(C)nn(C)c1C 1359066773 OQUXKNUZCSHTJM-AREMUKBSSA-N 430.600 4.633 30 10 IJEE C=C(Br)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C1CC1 1359077476 CXIBFGGOERQUBK-UHFFFAOYSA-N 430.375 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C)CC1 1359093908 VBGPSYVGEBUKLG-MAUKXSAKSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)C)C1 1359102766 FOHUXJFIHJJKQT-YYDVJCTNSA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C2CC2)CC1 1359116461 LZFBBXPJKFIQMN-IZAXUBKRSA-N 429.609 4.641 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C2CC2)C1 1359129014 NLCDSTKTWNZCIX-INIZCTEOSA-N 449.368 4.676 30 10 IJEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1359154752 AMXSWUGZJRHZEN-NRFANRHFSA-N 440.979 4.632 30 10 IJEE C=C1CCN(c2nnc(C3CCC3)n2CCc2ccc(OC)c(Br)c2)CC1 1359164742 XXLWWLMQEKODCI-UHFFFAOYSA-N 431.378 4.716 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2sc(C)nc2C)CC1 1359167798 UVLLJIAIVMGKDQ-UHFFFAOYSA-N 437.613 4.544 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(OC)C2CC2)CC1 1359176120 MYJQBEAHPYBVDS-QHCPKHFHSA-N 430.980 4.825 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1359179863 JAZWEVAGSLPATE-DEOSSOPVSA-N 429.008 4.866 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1359191856 NTGWUKDQMDVNLQ-UHFFFAOYSA-N 439.648 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1359193007 UPFZQOZCCJBQFS-NLFFAJNJSA-N 442.579 4.666 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@@H]1C 1359213736 FIUZWNZICVTGBJ-OALUTQOASA-N 434.588 4.827 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1359213844 JDHUHLJPPIILEO-OAQYLSRUSA-N 441.938 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1359269684 LNUJJYRXZMTGCN-XMMPIXPASA-N 444.627 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cn2ccc(C)cc2n1 1359273921 TZGHPTVMBHFGCH-UHFFFAOYSA-N 442.567 4.657 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCC1 1359275157 LYBTVFZGKLEJGI-QHCPKHFHSA-N 437.632 4.629 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](C)COC)C1 1359314377 ZPNUZYJAFCKGMI-JKSUJKDBSA-N 447.004 4.877 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cscc2C)C1 1359316043 GZBDKWDVKBEPSP-SFHVURJKSA-N 444.988 4.807 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359340168 DJKHWPROMCOMCF-GOSISDBHSA-N 430.618 4.657 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(OC(F)(F)F)cc1 1359529096 IAQADZLOLJFFBD-UHFFFAOYSA-N 435.494 4.944 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c1 1435129605 APBPDERFHXDWJE-HSZRJFAPSA-N 429.495 4.675 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cccc(Cl)c2-c2nnc3nc(C)cc(C)n23)cc1 1436381395 NLSWIQQBXSVCKP-UHFFFAOYSA-N 447.926 4.808 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)c1ccccc1 1463270801 KSMXVSCGVGUSLB-WJOKGBTCSA-N 432.549 4.934 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cc(Cl)ccc1Br 1463863763 DGLUQKMSLOATNI-QGZVFWFLSA-N 428.779 4.709 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c1 1465535578 OEZXZYDZQAOPOE-SFHVURJKSA-N 438.478 4.920 30 10 IJEE C#CC[C@H]1CCN(C(=O)Nc2nc3c(Br)cc(OC(F)(F)F)cc3s2)C1 1465970159 JGGAIARUFUMOHO-VIFPVBQESA-N 448.264 4.835 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H](C)c1ccc(I)cc1 1466917139 LWJPQOZRZCWNRX-MRXNPFEDSA-N 435.305 4.931 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1467931964 ISZMCYDVUIVUEV-BWAGFHJFSA-N 446.588 4.635 30 10 IJEE Cc1cc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1-c1ccccc1 1469877290 IFISJKRLWJNRSF-UHFFFAOYSA-N 428.511 4.705 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1470489086 BYHJMHGZOOPBCN-IZCSPVGOSA-N 427.589 4.746 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1cccc(C)c1 1472921168 KPHVPZAMGVHFTQ-HXUWFJFHSA-N 425.529 4.845 30 10 IJEE C=CCn1c(SCc2cnc(Br)c(C)c2)nc2sc3c(c2c1=O)CCC3 1472929514 YEGROTANDILRMK-UHFFFAOYSA-N 448.411 4.891 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C 1474282061 KLJNEYOQFGBQGF-IFMALSPDSA-N 426.944 4.632 30 10 IJEE O=S(=O)(CCc1ccccc1F)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 1475187211 DDETVBYRRPWCGY-HNNXBMFYSA-N 429.357 4.610 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC(C)(C)Cc2cccc(Br)c2)cc1 1476012801 WJXBOCFBDUPFGE-UHFFFAOYSA-N 430.346 4.508 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](O)c2cccc3ccccc23)cc1 1476041480 GUGYMXNLFPOJCW-XMMPIXPASA-N 429.520 4.509 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1 1477761634 BABZCADKZAGXIO-HXUWFJFHSA-N 436.552 4.622 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCC1(F)F 1507519640 IWQQEMRREUHLAT-GDBMZVCRSA-N 437.332 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1OCC 1507524992 YGAVQSWLKINCIP-AWEZNQCLSA-N 445.386 4.674 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOC(C)(C)C 1507661049 LKKLJQZSYVIGPW-UHFFFAOYSA-N 443.595 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1Cc1cc(C(CC)CC)no1 1507766669 XGDCVQDSUIJNDJ-RUZDIDTESA-N 433.556 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(OCC(F)(F)F)cc1 1507819291 ZDPBXOQQOXPPMQ-UHFFFAOYSA-N 431.462 4.732 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C)CC1 1507849407 YDJZEOCINXSYCQ-IBGZPJMESA-N 430.618 4.798 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1507851161 GZHNZQCTECCIOP-HXUWFJFHSA-N 437.613 4.600 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1507869445 SXXBNQGTZGVHGB-FQEVSTJZSA-N 444.004 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1507911431 LUHJEHRODYLAMM-UHFFFAOYSA-N 447.986 4.787 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(Br)ccc2C1 1507935152 NGAOWCOUVYPECY-LJQANCHMSA-N 445.405 4.854 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1507946033 IFAGOIOCHGTTMG-UHFFFAOYSA-N 447.974 4.900 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1507956247 HBCMERNCCSOJBU-LJQANCHMSA-N 442.629 4.677 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507973599 LCSBHBNDQJMFQE-UHFFFAOYSA-N 443.979 4.788 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1c(Cl)cccc1OC 1508009097 XKHSOTLYRCBCLA-INIZCTEOSA-N 444.988 4.746 30 10 IJEE Cc1noc(C)c1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1511945866 IDFZIAQAFQQQLI-UHFFFAOYSA-N 442.976 4.617 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC)C2CC2)c1 1520042120 PJYIXMMRPBGUJT-UHFFFAOYSA-N 432.973 4.736 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2csc(C(C)(C)C)n2)s1 1520708841 ICCDVVYEUKZAGN-UHFFFAOYSA-N 430.064 4.952 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1523517622 RWKYZIDCBYMGHK-UHFFFAOYSA-N 447.000 4.814 30 10 IJEE COC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)nc2C1 1525967315 ABMNAEGAAZOPPS-OAHLLOKOSA-N 449.557 4.696 30 10 IJEE N#Cc1ccccc1N(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CCC1 1528686070 BNSZQMXGNLAELJ-UHFFFAOYSA-N 427.957 4.711 30 10 IJEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1529439746 CZPLFFOUBUCKOB-PGRDOPGGSA-N 434.536 4.720 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](CC)[C@@H]2C)c1 1529575815 SWZUNXYBTRDAMA-ROUUACIJSA-N 447.000 4.982 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1OC 1531727275 MJHUFAASRUPDGC-PKNBQFBNSA-N 434.467 4.916 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)cc1 1534003146 PKPXNHHZFONPNK-FYWRMAATSA-N 438.471 4.554 30 10 IJEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1-c1cccc(Cl)c1 1534303867 IFVCOXZWRKADNV-QGZVFWFLSA-N 445.972 4.962 30 10 IJEE C=CCCC[C@H](C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 1537626721 IGVQSTHADUUMGX-JTHBVZDNSA-N 426.507 4.712 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC)[C@H]1CCOc2ccc(Br)cc21 1538199466 UEDMTOJPIBXQME-NSHGMRRFSA-N 440.337 4.547 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1538643475 VVYSSWRGEICMID-OAQYLSRUSA-N 442.581 4.558 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 1538728246 YWILABIGBZQXMV-OAQYLSRUSA-N 426.582 4.863 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1539607337 CTFNURAPLRPLDK-UHFFFAOYSA-N 437.725 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1 1539624150 QHPKSDRYVYUMTC-IRLDBZIGSA-N 433.581 4.804 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1539846727 VJJHQJPBQVTDAQ-HFZDXXHNSA-N 437.632 4.544 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1539854572 GCYOOQUIABQHKD-NQIIRXRSSA-N 429.634 4.632 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1539962769 CCGVPWSJQJCOFF-UHFFFAOYSA-N 439.579 4.830 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(Cl)=C(Cl)C1 1539998060 ZSDJQYBUQNGLFV-UHFFFAOYSA-N 429.355 4.996 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1)C1CC1 1540108605 SKRRIJXRDCJMJO-FQEVSTJZSA-N 437.588 4.596 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCc1ccsc1 1540128386 LVHGQMSQKDNWEQ-UHFFFAOYSA-N 440.576 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CCNC(=O)c1ccc(C)c(F)c1 1540140027 NXNIXRFWKSJWFA-UHFFFAOYSA-N 441.576 4.533 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1540158630 NCXXAJVVVAIITH-OFNKIYASSA-N 428.964 4.505 30 10 IJEE C=CC1(CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)CN(C(=O)OC(C)(C)C)C1 1540565763 JXQUKCWFJRQISH-UHFFFAOYSA-N 439.581 4.821 30 10 IJEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)C1 1547482688 CUSXSJWBDKQPAZ-OAQYLSRUSA-N 448.640 4.598 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)c1 1562255721 OHWSRKZIQIFXGZ-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C 1564512857 DBXPIRVRWJSSMT-MSOLQXFVSA-N 427.358 4.878 30 10 IJEE C=CC1(CC(=O)NCCCc2ccc(Cl)cc2Cl)CN(C(=O)OC(C)(C)C)C1 1566212851 LTKQHJNZUGFHJJ-UHFFFAOYSA-N 427.372 4.855 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 1583506545 STHWPGLSDPMBSQ-GUYCJALGSA-N 429.314 4.861 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cncc(Br)c1C 1583506836 YOIZXFIODDIQQZ-UHFFFAOYSA-N 426.108 4.732 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)cc1 1583915837 YENZNXRMXZMDOZ-UHFFFAOYSA-N 433.455 4.894 30 10 IJEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1cccc(COc2ccccc2C#N)c1 1584445214 ATSSUGZAFIEDBZ-UHFFFAOYSA-N 437.540 4.513 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1587773115 ARJGNAXTTASSJO-UHFFFAOYSA-N 427.474 4.723 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1587893760 HWGOYCIOQTUMJR-UHFFFAOYSA-N 443.020 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCc1csc2ccccc12 1589134118 FMYLFNUQKCAMOP-RUZDIDTESA-N 449.624 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1589557296 HEJNQMNCONROLF-GFMPLVLUSA-N 438.616 4.535 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)N(C)C)CC1 1594430070 HUMXNKDJRXFCTP-HNNXBMFYSA-N 438.403 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1594503970 BXQNCOUNPKCLBY-JOCHJYFZSA-N 436.579 4.957 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC2CCCCC2)CC1 1594692742 FACCNBXYRCETLS-UHFFFAOYSA-N 438.576 4.522 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594793345 KPDKLUSNYWDUDU-AKIFATBCSA-N 438.616 4.697 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nnc(C(C)(C)C)s1 1594857889 SYOKTXWVNOCZOI-AWEZNQCLSA-N 447.008 4.891 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CC1(N2CCSCC2)CCCCC1)C1CC1 1595058680 TYGNGLSCGSPVBU-UHFFFAOYSA-N 431.694 4.773 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)s1 1595604154 AWPFOMKRDWAPRC-UHFFFAOYSA-N 436.002 4.993 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@@H](C)C2)C1 1595679753 AYXZHTWTSVMRCU-MBOZVWFJSA-N 445.405 4.925 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c1 1622954601 NWCLHDZBHSIYKZ-FCHUYYIVSA-N 437.540 4.776 30 10 IJEE C=CCC1(CNC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)CCCC1 1623973089 BUZLVBVOXCEUCE-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc(OC)c1OC 1623998931 HAXOPQVMPZMHAG-UHFFFAOYSA-N 444.944 4.926 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](C)CSc1ccccc1OC)c1ccc(Br)cc1 1631352985 WYBBNVPKWIVKPO-QAPCUYQASA-N 447.398 4.860 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1 1633571463 KEPOIRSNYKBMQN-UXHICEINSA-N 446.979 4.529 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](CC)c2ccc(F)cc2)CC1 1633874039 YQCSCHUEMDKJEW-FCHUYYIVSA-N 447.595 4.671 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)c(F)cc1Br 1636037584 PKXQTFXRXZEYTL-INIZCTEOSA-N 447.320 4.593 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 1636098278 DZUUBGSAVFUZHC-NHCUHLMSSA-N 429.358 4.719 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C 1636816901 KYTRQLZOVIYKCP-ZWKOTPCHSA-N 426.479 4.825 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1 1637205514 KMKRGCHEMCTQEQ-UHFFFAOYSA-N 446.292 4.599 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C/C(=O)OC)cc2)nnc1-c1ccccc1F 1640706675 VXMQQDYRFNGWDH-JLHYYAGUSA-N 439.512 4.628 30 10 IJEE C=C[C@H](C(=O)N[C@H](C(=O)OCC)c1ccc(Br)c(Cl)c1)c1ccccc1 1652418675 LBPSLEDFUCNUNM-YJBOKZPZSA-N 436.733 4.793 30 10 IJEE N#Cc1cccc(Oc2ccnc(N3CCN(c4c(Cl)cccc4Cl)CC3)n2)c1 1655353959 HPVUHQJTPVKVMC-UHFFFAOYSA-N 426.307 4.774 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 1656097660 VHVVEBFGGWZUOV-LJQANCHMSA-N 426.607 4.609 30 10 IJEE COc1ccc(CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCc2ccccn2)cc1 1658520139 CMHYDOLIGNMUAU-UHFFFAOYSA-N 448.954 4.689 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C)c1ccc(Cl)cc1F 1658718315 HOGLNRXUIFCGEV-FQEVSTJZSA-N 427.907 4.956 30 10 IJEE CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)c(Cl)c1 1661096100 HMKPKVLKRYFOJK-UHFFFAOYSA-N 427.751 4.825 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](CCCc2ccccc2)C1 1662950441 BDZQQSKZGNLQRR-SFHVURJKSA-N 447.398 4.744 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1668313518 KTVQBFKPZWTZBC-DEOSSOPVSA-N 428.532 4.833 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1 1668687792 CHFXKAREIBTCFQ-HXUWFJFHSA-N 431.458 4.504 30 10 IJEE COc1ccc(Cl)cc1NC(=O)CCNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1670179151 BJRYTEPVGHZFKJ-UHFFFAOYSA-N 444.919 4.548 30 10 IJEE N#Cc1sc(NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)nc1Cl 1672679981 BSIWYHFOOKXYAD-UHFFFAOYSA-N 429.977 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 1674150114 URAYGKLVCXCGHQ-YWZLYKJASA-N 434.462 4.871 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1685313281 QKLNMROMLFRHSX-LJQANCHMSA-N 447.523 4.778 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCSC(F)(F)F 1689837606 JELMTGPNDZSEDW-LBPRGKRZSA-N 447.324 4.727 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CC[C@@](C)(CC)O1 1690034281 CEUDSYFOTAYUBG-ZEQKJWHPSA-N 430.596 4.559 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCC[C@H](C)C1 1690088325 ISRCADDRXFOAFE-PMACEKPBSA-N 449.574 4.746 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(CC)C1 1690161894 UTBIISWGDOSQJA-XMMPIXPASA-N 426.630 4.614 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H](C(F)F)C1 1690337567 RYRBCUSYYYPAEJ-INIZCTEOSA-N 440.922 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC)C1 1690428170 GZHQGQOZHWONNG-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCSC2(CCOCC2)C1 1690472107 FATYQTFYTBIETR-GOSISDBHSA-N 446.592 4.626 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690481061 SURAYPWNNGWMKK-UHFFFAOYSA-N 437.975 4.756 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCN(CC)C1 1690515904 WTAMBUIBATYCFW-OALUTQOASA-N 432.012 4.652 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1690531741 YPMLQOWAKJLNPA-UHFFFAOYSA-N 434.632 4.731 30 10 IJEE Cc1ccc(SCc2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1 1693161833 GRTUVMVRJTUYBK-LEWJYISDSA-N 439.629 4.560 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN(C(C)C)C(C)C)cc1 1697367612 AKFIERPVHLQITC-VWLOTQADSA-N 438.620 4.593 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCCN1CCCC 1705503429 WOLPNEQGBUNTND-XZOQPEGZSA-N 437.632 4.586 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C(C)(C)C)cs1 1705542334 DGRXNIOLDUJDLB-OAHLLOKOSA-N 444.004 4.943 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C 1705675359 LWHRECQGFYEMDM-PXDATVDWSA-N 440.035 4.635 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC[C@@H]2CCCO2)CC1 1705777571 GPSCWBKFOQEBIP-IBGZPJMESA-N 448.970 4.726 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2ccc(Oc3cccnc3)c(F)c2)CC1 1705785395 GZILYWIAJINCGW-UHFFFAOYSA-N 437.519 4.592 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1705796345 CUWSUSBTQNQLGS-GOSISDBHSA-N 444.505 4.817 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1705807424 CJLKZWFNHVCNEZ-QFIPXVFZSA-N 447.558 4.859 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705808475 OMXDALDQMOBCPB-UHFFFAOYSA-N 427.662 4.987 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1Cc1nccc(C(F)F)n1 1705857152 AEMVVPCGVIMSHC-INIZCTEOSA-N 437.498 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)c1ccccc1 1705867345 MDFNBFHBNOBTIV-DENIHFKCSA-N 437.613 4.909 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@H]1CCCOC1 1705867663 SEAZUBKZBHHRFK-GOSISDBHSA-N 442.560 4.677 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC[C@H]1CCO[C@@H](C)C1 1705868237 GPNHRGOXAGDNDY-PMACEKPBSA-N 437.613 4.723 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1N(C)CCCC1(C)C 1705877133 WNUCOEQNJAUIOS-HSZRJFAPSA-N 437.632 4.773 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CC[C@@](C)(CC)O1 1705877390 FPCBZDCAUOBNRA-ATIYNZHBSA-N 431.584 4.923 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)C(F)(F)F 1705884958 BZQRUVIJUWSADL-UHFFFAOYSA-N 430.902 4.750 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CC[C@H]1C2 1722310577 MXCNRFUKXNPWDD-HOTGVXAUSA-N 429.362 4.508 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CCCC1 1722333415 JWBQEBJNHBDSIZ-IBGZPJMESA-N 429.609 4.575 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCOC1 1722395340 ZPKFLYXYEQPXLY-QGZVFWFLSA-N 438.984 4.703 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC(F)(F)C1 1722467258 PLESHMDRAOQSLC-GSHUGGBRSA-N 432.490 4.985 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](COCc2ccccc2)C1 1722526363 WDFKBTFFAZXOGC-DNVJHFABSA-N 438.616 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1722560843 FGKGNMUKPDKZFI-LJQANCHMSA-N 439.604 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](COC)C1 1722586591 JYBNQMYLQNUAEW-HXUWFJFHSA-N 434.588 4.596 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 1722593786 AMRPBMJPLCAWEZ-UYAOXDASSA-N 446.473 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)COC 1740532248 CUUFUZPBUJYPFS-ZWKOTPCHSA-N 432.996 4.819 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1740533322 QLOFOGLUNOBOTO-CMKODMSKSA-N 445.007 4.961 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2OC)n1Cc1c(C)sc(C)c1Br 1740606344 ZIOGFCXVQHVIPH-UHFFFAOYSA-N 445.386 4.512 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@](C)(CC)O1 1740664532 UFRUFPRMBMXGSN-PDOGEWKWSA-N 426.630 4.939 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1740840973 OGDDYWNSFXWZSX-HHHXNRCGSA-N 448.611 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@@H](CC)C1 1740845386 MYPMNJMWSWIVMO-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740858847 BYQGHQMMEPMNJW-FQEVSTJZSA-N 435.572 4.933 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1740893672 SCOBBAQPOHDXNA-QZTJIDSGSA-N 447.574 4.925 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1740906225 MQWIDAJYTQDHJR-KDOFPFPSSA-N 438.906 4.651 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCSCC)C1CC1 1740911597 WDRQDGTZLPMYHQ-GOSISDBHSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1C[C@]1(N(C)C)CCSC1 1740924595 WZKWHRLAKBIXQC-HSZRJFAPSA-N 445.702 4.702 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2ccccc2[C@@H]1C)C(C)C 1740927047 QEOSLWVRBZHSRR-QQKQFIJSSA-N 449.643 4.604 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCN(CC2CCCCC2)CC1 1740945388 DTZJVQQLRHDDTO-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1740945554 YPKNWJFPLASXAV-QZTJIDSGSA-N 431.378 4.678 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1741001953 DPYKLCPZDQOGGY-GOSISDBHSA-N 430.528 4.617 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OCC2CC2)nc1 1747678149 ATRGZQJWDJYCFJ-UHFFFAOYSA-N 430.556 4.531 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1748702314 BZXPCWLKAGIFFN-GOSISDBHSA-N 439.922 4.594 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](C)N1CCCCC1 1749069432 YMFYEKDYCYKFHN-CJFMBICVSA-N 440.035 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1749131356 RAAZHFUHJAOICS-XXBNENTESA-N 439.560 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cc(Cl)c(OC)c(OC)c1 1749156280 UAFOFRCKCICKRQ-SFHVURJKSA-N 434.968 4.641 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C(C)C)N1CCCC1 1749165912 SIBXEBVRRFSLIX-XMMPIXPASA-N 434.632 4.804 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCSc2nccs2)CC1 1749311213 JBDYDZLVPWWCGV-UHFFFAOYSA-N 445.589 4.792 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCc2sc(C)nc2C)CC1 1749348561 RRXGYFLSKNJHCW-UHFFFAOYSA-N 437.613 4.618 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C\c1ccccc1 1749486759 GKUZAMPYNQTZIS-NJAMNNSSSA-N 437.588 4.728 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749538561 LETBOURTBPGFLC-HFZDXXHNSA-N 432.616 4.976 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCCN(C(C)(C)C)CC2)cc1 1749683557 XSBSUIIQCBUDBH-FQEVSTJZSA-N 425.621 4.715 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1749754312 KBRCABGCOJJNHP-CTNGQTDRSA-N 430.593 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C(C)C)N1CCCC1 1760103224 BACIITDOJKLDAE-FPOVZHCZSA-N 439.673 4.854 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCC(C(F)(F)F)CC1 1760164267 OOLKESDXBNDFJY-KLAILNCOSA-N 438.469 4.995 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC(C)(C)CC 1760243747 ROMVVPVCDYCIEW-UHFFFAOYSA-N 425.577 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1(OC)CCC1 1760288712 ITZXHPNKEWOGOH-WZONZLPQSA-N 426.536 4.509 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N(CCC#N)CCC(C)C 1760303153 DRCNWNRSZZXVOZ-UHFFFAOYSA-N 432.366 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccn(C)n1 1760332176 VJVYEMFSDOLNHM-UHFFFAOYSA-N 436.560 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(-n2cccn2)c1 1760332889 OTNDAXBMSVOJBS-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1760399396 KXAJCSUSCUETNC-UYAOXDASSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760415687 HWPVTLZCFJXPSS-HXUWFJFHSA-N 438.551 4.674 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1760434470 BPMHXZVUQQURAW-KRWDZBQOSA-N 445.405 4.988 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1cccs1 1760440417 JMYGHKRVVRPXAP-SFHVURJKSA-N 437.617 4.677 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1sc(C)nc1C 1760486153 FCBWIEOYUZSSSP-KRWDZBQOSA-N 429.615 4.548 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760512355 BWOUZCFNHKLVJQ-OAQYLSRUSA-N 434.588 4.588 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC(c3cnn(CC)c3)CC2)cc1 1760530779 YFLKARGNDMCUDG-UHFFFAOYSA-N 448.615 4.690 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccccn1 1761363343 FQKLTQVRWYIXNR-OAHLLOKOSA-N 445.354 4.540 30 10 IJEE CC[C@H](Oc1cccc(/C=C2/SC(=Nc3ccc(C)cc3O)N(CC)C2=O)c1)C(=O)O 1772762201 CFCOUKDOPOBQGN-TTWZDYQVSA-N 440.521 4.567 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2c3c(nc4c(Cl)cccc24)CCC3)nc1C 1859644115 FACLUCHBEVYURG-UHFFFAOYSA-N 427.913 4.737 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCO3)n(Cc2ccc(Cl)cc2)n1 1862365229 DBJBQQQUCQFKOY-UHFFFAOYSA-N 435.911 4.795 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1862446415 RJWVCZANLLTVNK-LJQANCHMSA-N 433.335 4.523 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1OC 1862452884 MJWDETCLCUVAIY-FQEVSTJZSA-N 429.900 4.734 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862596512 USZHSHWUNYQZBF-IBGZPJMESA-N 427.428 4.510 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2nc3ccccc3[nH]2)cc1 1862674694 QYCBXQDLNWWTLW-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862678414 NGPPEEGOIFFSRM-HSZRJFAPSA-N 448.469 4.809 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862687135 GNOOVESFOHKECR-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc(C)c2)c1 1862746448 GFWUIKDGEGBNRA-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CC[C@](C)(NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866770275 CAZFLHOCXNMKRY-NVQXNPDNSA-N 435.568 4.929 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CNc2ccc(OCCCC)cc2)cc1=O 1871008747 LMYMDHMOXMHZAW-UHFFFAOYSA-N 434.511 4.839 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871405116 CJTQZNVIWIGHFT-OGQLAUOESA-N 443.455 4.746 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)Nc1ccc(F)c(F)c1 1871440711 CSHGTGFMVLDLCS-NKVSQWTQSA-N 425.362 4.738 30 10 IJEE CCN(CC)CCOc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871451959 WHCGMCQDFBRTKY-NHDPSOOVSA-N 429.900 4.543 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2C[C@H](C)O[C@@H](C)C2)n1 1871476415 OAFGEMPWQBLNEL-PMACEKPBSA-N 426.609 4.732 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCOC(C)C)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871555777 FLJWSPKHPRUXPL-UHFFFAOYSA-N 438.620 4.740 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871857841 NEWSFRJIXNAAFQ-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1872423188 UQDVHBQDCLNDHV-HSZRJFAPSA-N 438.524 4.691 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872556191 ZJPWKMSTZVBVOI-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 1872767270 VZFAZBXEWKQWJO-OAHLLOKOSA-N 426.885 4.928 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3ccccn3)ncnc21 1873633674 YWQXEQDHRIWPEP-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccccc1OCCC 1874228055 PWRXFDOYNIYOSX-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cccc(Br)c1 1874318756 HRAGFMJDQWSLSS-SRZZPIQSSA-N 431.359 4.841 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874435263 VVSLGLMYWADVIA-LGJNPRDNSA-N 449.967 4.895 30 10 IJEE COCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(Cl)ccc1O 1874474331 YHNGBIROSZJFBR-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(OC)c2)o1 1874482017 UYQQGJQAJIYVKL-YDZHTSKRSA-N 442.541 4.528 30 10 IJEE CCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874528093 RZPOMMJAULOXKS-BFTFCADCSA-N 435.597 4.816 30 10 IJEE CCCCC1CCC(c2nnc(S)n2/N=C/c2cc(OC)c(OC)c(OC)c2)CC1 1874563567 KHDLJSXEVODGGH-OEAKJJBVSA-N 432.590 4.939 30 10 IJEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc2OC)cc1 1874696974 PSPBFCGRYPOARQ-MKMNVTDBSA-N 432.472 4.757 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 1874698459 XTXVEFOEVQGXSX-WUXMJOGZSA-N 447.443 4.656 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)CCOc2ccccc2)c([N+](=O)[O-])c1 1875119106 DYUACDUNRCGDFV-ACCUITESSA-N 447.443 4.874 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2cccnc2)c(OC)c1 1875143680 LLBDTTRYDHBKKW-CMDGGOBGSA-N 433.460 4.531 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C 1949547848 LMSFFKMVERVROD-FCHUYYIVSA-N 434.621 4.836 30 10 IJEE N#Cc1ccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)s1 1951631284 JPYZRSXWRXXMDX-LEWJYISDSA-N 444.512 4.669 30 10 IJEE C=C[C@]1(Oc2ncc(Br)cc2Br)CCN(C(=O)OC(C)(C)C)C1 1992462389 YKEGPYOAFUCJQM-INIZCTEOSA-N 448.155 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2(CC2)C1 2013255761 MYFBFTBFAQUUPU-NRFANRHFSA-N 434.541 4.607 30 10 IJEE COc1c2c(nc3c(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)F)nn13)CCSC2 2081378319 IDLJPONSGSYWLI-UHFFFAOYSA-N 437.340 4.827 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCCC 2088509545 JZSVJZJDLUFYEA-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC1(C)C[C@](Oc2cc(Br)ccc2C#N)(C(=O)O)[C@@H]1OCc1ccccc1 2156353785 DMUGRDDFYWVYBH-WIYYLYMNSA-N 430.298 4.538 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(Cc2c(F)ccc(Br)c2F)C3)OC1(C)C 2194169304 WHRNHNHENBUHEG-HXPMCKFVSA-N 428.126 4.786 30 10 IJEE CCN[C@@H](C#Cc1cccc(Cl)c1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216978242 WTMGXFOAZYZZKO-GOTSBHOMSA-N 442.987 4.780 30 10 IJEE O=C(C#Cc1ccccc1Br)c1c(Br)cncc1Br 2227471173 BOZNELTUJPGQNG-UHFFFAOYSA-N 443.920 4.604 30 10 IJEE C[C@H](C[C@H](N)C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235747119 NMWMITUOQWGWNC-BHIYHBOVSA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C1(CC)CC(NC(=O)OC(C)(C)C)C1 2235748310 YEPSHTLNTROPCC-IMYXXEESSA-N 435.406 4.862 30 10 IJEE C[C@@H](C#N)C1CCN(C(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)CC1 2236700644 PAKHGJBDNODNQM-ZDUSSCGKSA-N 436.350 4.808 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 2262200158 OSQANTQCBYAZFB-VWLOTQADSA-N 447.572 4.657 30 10 IJEE C=CC[C@]1(COc2cc(F)cc(Br)c2N)CCCN1C(=O)OC(C)(C)C 2272244061 ZFNILGDDXWKDAR-LJQANCHMSA-N 429.330 4.895 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296265905 CJCQBBWIGBLNNB-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC1CCN(C(=O)OC(C)(C)C)CC1 2296274406 UJVICFXRDGEYSU-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCC[C@@H]1NC(=O)OC(C)(C)C 2296296815 RWBMQHNUZIYKEW-DXIQSLLYSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)o1 2296311346 WDZCPUAGHFBNQE-GOSISDBHSA-N 433.346 4.769 30 10 IJEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)sc1C 2296925643 STGDWCHDFZZSSI-SFHVURJKSA-N 426.444 4.664 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2304989404 KQGZMIDDGHLKIR-QYWGDWMGSA-N 434.541 4.606 30 10 IJEE Cc1ccc(-c2ccc(C=C3SC(=Nc4nnc(C)s4)N(C)C3=O)o2)c([N+](=O)[O-])c1 2314543667 JXEKNOKSGKLGOD-UHFFFAOYSA-N 441.494 4.557 30 10 IJEE CN[C@H](C#C[C@H]1CC1(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2317325557 BBIXCWPSAJXFFT-XZOQPEGZSA-N 439.644 4.574 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nncn2N=Cc2c(Cl)cccc2Cl)c1 2321248524 QJJSAKNZPCKFOK-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C(C)(C)C)cc(C)c3C2=O)c(OC)c1OC 2322642129 VTZQMZZQIHHSEQ-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE COc1cc(C=NNc2nnc(C(C)(C)C)c(O)n2)ccc1OCc1cccc(Cl)c1 2323281304 ZVFAIGNINDADAU-UHFFFAOYSA-N 441.919 4.562 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccccc3[N+](=O)[O-])cc(C)c2C1=O 2323381003 AQVBJQYHLGQHNT-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2323585235 SLBIQIGMIWIWDF-UHFFFAOYSA-N 443.411 4.838 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323872529 FYNXDWHQOJGWCZ-OAQYLSRUSA-N 432.605 4.869 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4C)ccc3C2=O)cc1 2324879958 QZAPNHIIGZUYEA-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325669829 VJLFVXKVXIJMGB-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)[C@@H]1CCCO1 2325763672 CXYIMKGWFNZQMI-FQEVSTJZSA-N 430.884 4.646 30 10 IJEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(O)c(O)c1 2327005093 ZIWBFFMHZAOTBT-UHFFFAOYSA-N 438.553 4.560 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(Cl)cc1 2328486312 WBIXXLWDYCFWNI-UHFFFAOYSA-N 427.917 4.981 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1ccncc1 2328670237 AUWZOKBJNDDEHF-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1cccc2ccccc12 2330472338 RFSVBIWGJJCXKB-UHFFFAOYSA-N 443.576 4.523 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccn2C)c1C 2330632687 CJCFULCESFNQLM-UHFFFAOYSA-N 444.564 4.513 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)c1OC 2330952016 OIBWQKLMKPLHFG-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccnc1 2331063854 HHFAOEGGYQBDQP-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2-c2ccco2)cc1 2331229919 IEKSPEPCHQECPF-GOSISDBHSA-N 445.548 4.698 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)(C)C)cc1 2331376142 JKAPGMOUXDEFSH-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C2CCC2)ccc1O 2331541657 WCTRPYHXKNUGAT-UHFFFAOYSA-N 443.916 4.987 30 10 IJEE C[C@@H]1C[C@@H](N(C)c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339584836 HALDFGANKZMRSY-WKWUPWNMSA-N 433.405 4.825 30 10 IJEE C[C@H](Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)c1ccccc1Br 2364917843 MYFWNZPJZNGIHL-LBPRGKRZSA-N 437.574 4.970 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)Cc1sccc1Br 2369074704 XWHYMOPESRTBTA-UHFFFAOYSA-N 440.187 4.581 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Oc2nccc(C#N)c2[N+](=O)[O-])ccc1Br 2370353547 RSTCJTCVJCUQLM-UHFFFAOYSA-N 435.234 4.763 30 10 IJEE C=CCN(CC(=C)Br)[C@]1(C(=O)O)CCC(F)(F)C[C@H]1OCc1ccccc1 2374008298 XQJHKHQGYVCXKN-YLJYHZDGSA-N 444.316 4.611 30 10 IJEE COc1ccc([C@@H]2CC(=O)c3cc(C#N)c(=O)n(-c4c(C)cc(C)cc4C)c3C2)cc1OC 32985468 ZHDRHKAXXHFFGT-IBGZPJMESA-N 442.515 4.564 30 10 IJEE CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C/c1cc(Br)ccc1OC)C2=O 33392320 NDICEPJIQFLKIE-YBFXNURJSA-N 446.297 4.915 30 10 IJEE O=C1/C(=N\O)c2cc(Br)ccc2N1CCCOc1ccc(Cl)cc1Cl 39854096 WKMHRHQVAOMLFR-PGMHBOJBSA-N 444.112 4.750 30 10 IJEE CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2CC)cc1 58947063 FUJXHEDXXOUPBR-NVWMPKGRSA-N 425.554 4.682 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccc(C)cc2F)n[nH]1)c1ccc2ccccc2c1 59022122 WLMAYCAWVWGYDG-DICXZTSXSA-N 448.527 4.972 30 10 IJEE Cc1ccc(NC(=O)C[C@H]2S/C(=N\C34CC5CC(CC(C5)C3)C4)NC2=O)cc1Cl 72434588 SLOBFVNGVGKDGH-IYZRDUGGSA-N 431.989 4.533 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CCCCC1 100222193 WKGQPFFFABZYMJ-QFIPXVFZSA-N 436.637 4.748 30 10 IJEE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N\NC(N)=S)CC(C)(C)C3)cc1 101109755 AXNGAKWWKHOJBJ-ONUIUJJFSA-N 426.586 4.693 30 10 IJEE O=C(O)c1cccc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)c1 101133254 WKJSTIQLFHGMOS-RSOZMKCKSA-N 444.468 4.922 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922050 FTIUOPIRSBDIMC-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922157 OBYPAPSDMFJXNC-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 169945011 YYWPDAQJRQJZRQ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)ccc1F 169955223 MLOXHPAZUWLOAV-JOCHJYFZSA-N 434.467 4.572 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)c1 169960988 FIQFNCXZBGBDNZ-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccc(C)c2)cc1 169971888 LBAIXWDMTJFTCI-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170058832 ITDMYHYGSBMZSU-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccccc1OC 170124974 XORDSYHFIWXFBC-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccccc2)c1 170141566 LUOKSVQWPBZARC-QHCPKHFHSA-N 427.456 4.549 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccncc1 170211074 ZPUNBZRGIZGKSG-SFHVURJKSA-N 429.314 4.613 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1Cl 170230687 ICCGMOMIVQXIJJ-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)c1 170275147 DEVNXPGUZKDDMV-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2C)c(C)c1 170277960 ZMXZVOYYQQWFHP-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccco2)c(OC)c1 170285910 YJDZDMOZNUTEBB-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(C)o1 170300461 VPSRWMLRVIDRRH-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(C)o2)cc1 170304525 AVHYPHZVPVETFL-QFIPXVFZSA-N 433.460 4.784 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1cccc(OCc2ccc(C)cc2)c1 170442729 KSJNXOXTAWCSJF-JOCHJYFZSA-N 437.536 4.531 30 10 IJEE O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(C#Cc2ccccc2)c1 247753442 BXAYFSCZARCDQI-UHFFFAOYSA-N 426.560 4.748 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(N3CCC3=O)cc2)cc1 439951150 CWQQDZVIFBSZGI-UHFFFAOYSA-N 428.467 4.668 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCc2[nH]c3ccccc3c2C1 460565532 ZIBYKUDIVIFITD-UHFFFAOYSA-N 443.551 4.876 30 10 IJEE CCCC[C@](C)(NC(=O)c1cc(C#N)c(SC)nc1O)c1cccc(Br)c1 478111193 MSGLIWPQGIRYEQ-FQEVSTJZSA-N 448.386 4.979 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 508886862 FTTPKXHJTNFXLB-SFHVURJKSA-N 444.366 4.805 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 517397703 WFTOGVAVZPTHPY-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])o2)cc1 526605280 VERHBXDCECTZNU-QFIPXVFZSA-N 445.431 4.905 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Br)ccc1OC 526825078 IOSRBVZUEBTRFV-JJFYIABZSA-N 449.349 4.925 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCOC2)CC1 555519001 BALQFDUDONRYML-OAHLLOKOSA-N 441.988 4.980 30 10 IJEE Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)o1 615385720 BHPZCRLTGPIFFY-IIBYNOLFSA-N 444.491 4.585 30 10 IJEE C=C[C@@](C)(CCOC)COC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 816035115 BLHLDSFPMILMJB-FQEVSTJZSA-N 443.353 4.700 30 10 IJEE N#CCCC[C@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)CCCC3)c1ccccc1 817318492 BGUKUZYUMSUIFU-SFHVURJKSA-N 434.565 4.760 30 10 IJEE Cc1ccc(C=NNc2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)n[nH]2)cc1 1084112520 BSWPLJMREVAKQW-UHFFFAOYSA-N 425.905 4.555 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1 1125742659 TWAWLODTNXQQKQ-HZPDHXFCSA-N 432.442 4.583 30 10 IJEE C=CCc1cc(C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@H]2C)cc(OC)c1OC 1125929775 SRTFDTYYYYDBNP-NSYGIPOTSA-N 446.588 4.636 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1143720924 ZRWOFBAIWSRFTE-DEOSSOPVSA-N 438.531 4.855 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(CC4CCCCC4)[nH]c3c2)c1 1148886841 WCFTULBKFMCFDL-UHFFFAOYSA-N 449.576 4.735 30 10 IJEE CC(C)Cn1ccc2c(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cccc21 1156560429 FQVCOUFDDGWVND-DEOSSOPVSA-N 434.971 4.973 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nc2ccccc21 1188054112 YIAHMNAAPCPRBL-UHFFFAOYSA-N 449.317 4.558 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C(C)C)nnc1-c1cccc(OC)c1 1188899128 GVYNSOSSBRCUII-YYWHXJBOSA-N 442.629 4.951 30 10 IJEE C=CC[C@H]1CCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 1196439986 GDDZNAUZCYSTQX-INIZCTEOSA-N 431.458 4.794 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 1215510551 TWBGWVCCGAAQTQ-DEOSSOPVSA-N 445.535 4.625 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)C3(CNC(=O)OC(C)(C)C)CCCCC3)cc21 1220204451 NJSQXNHAOUHKFY-UHFFFAOYSA-N 441.576 4.914 30 10 IJEE C=CCc1cc(CNC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1OC 1225349702 BGJJNDDKVGMBHM-UHFFFAOYSA-N 448.485 4.982 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2cc3ccccc3o2)c(C(=O)OCC)c1C 1264357387 NPKWHRAJWOBZME-UHFFFAOYSA-N 427.478 4.503 30 10 IJEE C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1cccc(N2CCCC2=O)c1 1264776483 FSYOTPVUUFDQDH-GOSISDBHSA-N 425.488 4.968 30 10 IJEE C#CCN(C(=O)c1ccc(F)c(Cl)c1F)[C@H]1CCOc2ccc(Br)cc21 1265209949 KXXCKYWUWLMFSU-HNNXBMFYSA-N 440.671 4.980 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]2c2ccccc2C)nnc1-c1ccc(Cl)cc1 1278405933 BXGPIEGZQZUMPC-VQTJNVASSA-N 438.984 4.857 30 10 IJEE C=CCCSCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 1278581202 CYSSMRWIYIMIIY-UHFFFAOYSA-N 437.409 4.949 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(C(CC)CC)no1 1286301454 DXUOHXISMUUXLT-LJQANCHMSA-N 435.572 4.872 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1286318421 UPBGRYFDIANNOK-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCS1 1286421201 WHXVTNRLUXEMKZ-VXKWHMMOSA-N 436.625 4.784 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1286496136 OABKEDUCOPVSNJ-RBUKOAKNSA-N 430.593 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1cccs1)C(C)C 1286564972 OBMVONBOTZEEFZ-REWPJTCUSA-N 437.613 4.722 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(Cl)nc2)CC1 1286637835 NQCLOGFTJHVVOZ-MRXNPFEDSA-N 427.911 4.810 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN(C)C2CCCC2)CC1 1286638051 SVFRRULFPOQVLG-IBGZPJMESA-N 427.568 4.588 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1286656861 QFHNKMOWIKPRRT-ZHRRBRCNSA-N 445.405 4.661 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286701794 FWBZBVMABHVCLZ-QGZVFWFLSA-N 442.658 4.545 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[S@](=O)C(C)(C)C)C1CC1 1286732118 KISXGUBTLPMPCB-RQZFFVEVSA-N 444.645 4.737 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1 1286741422 HABVXJRWQDEMOP-MVERNJQCSA-N 449.599 4.584 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(C)cc1OC 1286746982 CCCCZFZTSKJUHD-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21)C(C)C 1286752529 YPVHCWWUPWZYIF-ZROJVYTPSA-N 441.664 4.843 30 10 IJEE Cc1ccc(-c2nc(CCn3c(CC(C)(C)C)nnc3N3CCC(C#N)CC3)co2)cc1 1289520403 GKIPJXIFFXTBND-UHFFFAOYSA-N 432.572 4.813 30 10 IJEE C#CCOc1ccccc1CNC(=O)[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 1293534148 KBUADPQIMHZJIB-NRFANRHFSA-N 440.584 4.522 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)c1cccs1 1295720764 BDZYNHNXERGHNY-HXUWFJFHSA-N 435.597 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1300275309 SVWZHNTWZXWXIK-IPJJNNNSSA-N 440.563 4.897 30 10 IJEE C#CCCCn1c(N2CC3(CCC3)C[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300423859 AEUIWVIJCZCNDC-HSALFYBXSA-N 441.620 4.621 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCC1 1300603004 WHFCTZMUKZKFKJ-FQEVSTJZSA-N 444.023 4.634 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(CN2CCCCCC2)CC1 1300979920 IJWGAQOYAJWEOQ-UHFFFAOYSA-N 441.620 4.532 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1301018429 CLCTWVRAXDRMLA-HSZRJFAPSA-N 425.964 4.950 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(=O)N(CC)CC)CC1 1301075905 SOQPETFDOLXUPL-UHFFFAOYSA-N 433.959 4.543 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1301095440 HQKDQQVJHMDIGE-XXBNENTESA-N 428.552 4.604 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)c(OC)c2)CC1 1301129058 GDRGTWWHGFJEGU-UHFFFAOYSA-N 444.004 4.747 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@H]1CC 1301273617 TXVGYQTWXZZWPQ-AZUAARDMSA-N 432.012 4.958 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(COC)CCCCC1 1301310365 NEMPYWUGQGZOJX-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC[C@@H]1C 1301375730 SANMGKMLGPRZGV-FUHWJXTLSA-N 431.378 4.559 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(C)s2)ns1 1306489969 HCOMYZTWSUNWHA-NSHDSACASA-N 428.967 4.549 30 10 IJEE N#Cc1ccc(N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc1 1307426257 CKORRTWVHLSLKU-UHFFFAOYSA-N 432.518 4.966 30 10 IJEE C#CCN(C(=O)Nc1ccc(O[C@@H](C)CC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1310188596 AXUGFMSRZFLPOY-SFHVURJKSA-N 429.561 4.731 30 10 IJEE CCN(CC)C(=O)CCC1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 1310763544 CCZUUGTUCUKRLA-UHFFFAOYSA-N 428.577 4.628 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CC1 1312663583 WXEHDQNERQTTJX-LJQANCHMSA-N 448.405 4.607 30 10 IJEE CCO[C@]1(c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CC(C)(C)CC)CCOC1 1314103213 BHJYEYQDRCNBBU-AREMUKBSSA-N 449.599 4.532 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(OC)c1 1350345424 SKCVLYOKYKJZQT-LJQANCHMSA-N 444.531 4.932 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccccc3OC)cs2)CCCN1C(=O)OC(C)(C)C 1353460062 LHVAWNUEANVFDL-QHCPKHFHSA-N 441.553 4.550 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@H]2CCc3ccccc32)c(C(=O)OCC)c1C 1355007335 DDRJZFBKNXXNTH-MRXNPFEDSA-N 427.522 4.635 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)C1CCCCC1 1357291867 VQSBBNGBKRFTHI-UHFFFAOYSA-N 448.567 4.960 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 1357533571 COHPWVKEDWBPLQ-UHFFFAOYSA-N 434.355 4.967 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@@H]1C(C)C 1359002302 VENIJPACQSBRIN-NHCUHLMSSA-N 449.624 4.898 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(SC)CC1 1359116292 GBZNFWYGCHWMBP-KRWDZBQOSA-N 435.638 4.648 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1359193469 FAFIIJJZTUNXJS-NRFANRHFSA-N 447.974 4.723 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1359194075 OXJYRXRFXYFSOL-DHIUTWEWSA-N 431.584 4.951 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1O 1359198457 RAWYPTFWXQVVRC-UHFFFAOYSA-N 430.350 4.734 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359214924 PNPYRISGPAWFMP-UFYCRDLUSA-N 447.624 4.616 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1csc(CC)n1)C1CC1 1359248388 LQVGZDQXUXDUPP-UHFFFAOYSA-N 429.977 4.829 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CCC(=O)N1CCCCC1 1359262073 GMWQDVDZRZSTJA-UHFFFAOYSA-N 435.597 4.602 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC1CCCCC1 1359311134 RECQVYMGJJPQGI-UHFFFAOYSA-N 448.615 4.769 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]32)s1 1437896924 NVQBGKZYOYEQKQ-ZTFGCOKTSA-N 425.406 4.947 30 10 IJEE C=CCn1c(S[C@@H](C)c2nc(C)cc(O)n2)nc2sc3c(c2c1=O)CCCCC3 1458726277 JMLWBIOPAVIJGY-ZDUSSCGKSA-N 428.583 4.570 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CCCN1C(=O)OC(C)(C)C 1459715461 VMVWCAPHBUOJGB-XMMPIXPASA-N 438.528 4.898 30 10 IJEE CC(C)[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCN1Cc1ccccc1 1461594533 DMIVQVHZYIVMKD-VWLOTQADSA-N 443.547 4.713 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 1462574071 XRHATNXVRPQIFH-UKIBZPOASA-N 439.353 4.552 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCCc2c(Br)cccc21 1463387001 HCVIURXZYCLGIJ-UHFFFAOYSA-N 425.735 4.506 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1 1465369213 DSAQPMWGSLOVQH-UHFFFAOYSA-N 436.512 4.742 30 10 IJEE CC(C)C1CCC(N2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)CC1 1465647273 ADJAPULIZLOKHF-UHFFFAOYSA-N 435.568 4.703 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 1466193602 BEXWMMFAQQJMQM-LJQANCHMSA-N 429.565 4.560 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(Cl)c3ccccc23)c1 1467354421 WHQZVNIZQBHALJ-MRXNPFEDSA-N 425.937 4.781 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1C)c1ccc(C(F)(F)F)cc1 1469492536 UTQCRFWNFLVMPA-NHCUHLMSSA-N 445.485 4.904 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1ccc(F)c(F)c1 1469857514 UORQAHQYBDDCFZ-MOPGFXCFSA-N 437.531 4.917 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C 1471456407 MIWJZHLIWZVMBT-DHIUTWEWSA-N 435.568 4.965 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C)C(=O)OC 1471895124 LBZIQESESMQCCH-JOCHJYFZSA-N 436.508 4.651 30 10 IJEE C=CCn1cc(CNC(=O)N(CC)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)nn1 1478855634 SOZPNZOROUAWFO-UHFFFAOYSA-N 447.583 4.700 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1507557645 ROXRCLLOUUCXIR-TZIWHRDSSA-N 440.563 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507764279 LGTJAHCDJXWNDL-YWSDPWDBSA-N 440.563 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCCS1 1507819230 PGOURKKDNOUNMD-SFHVURJKSA-N 446.617 4.659 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1507822230 YZTCTYGMHUSJCD-LEWJYISDSA-N 437.588 4.507 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C(CC)CC)N(C)C)CC1 1507888744 PKYGGWZURHPSNO-XMMPIXPASA-N 439.648 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1507911338 JQNCNJMVYXVSFG-IRXDYDNUSA-N 430.618 4.895 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1507924036 HQWRLQFEBMXZLK-QFIPXVFZSA-N 439.604 4.688 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@H]1C 1507952449 UINIVXWGHOKHRR-OAHLLOKOSA-N 437.407 4.528 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CCN1CCC[C@@H](C)C1)C1CC1 1507995457 KGZCUQMNQFQUGO-HXUWFJFHSA-N 425.646 4.766 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCC[C@H]1C 1508000775 DKJVBYAIPNZDJC-HOYKHHGWSA-N 437.975 4.737 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2CCCC2)C1 1508131016 XXLFIJLHQGAIFN-LJQANCHMSA-N 428.602 4.551 30 10 IJEE CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1)c1cccnc1 1508864867 CJEBFEWNDUXWBH-JOCHJYFZSA-N 432.547 4.583 30 10 IJEE C=CCCC[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 1527489709 MNLKRNFDYWYHBX-RPWUZVMVSA-N 426.988 4.970 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 1531299355 FJWPAGZHMLANJB-ALCCZGGFSA-N 436.386 4.517 30 10 IJEE Cc1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)nn1-c1ccc(F)cc1 1537041808 FTXTZDJODHYPEG-HNNXBMFYSA-N 430.405 4.893 30 10 IJEE C=CCN(C(=O)c1scc(C)c1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1537317301 QBGSOUYPTBFASA-INIZCTEOSA-N 436.371 4.622 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1)c1ccccc1 1537430346 DOFHJTZOZGLPPF-BHIFYINESA-N 438.955 4.781 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1539372382 XTKYXUBYEFFRNK-OAQYLSRUSA-N 426.992 4.864 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1539616962 SVWJZCCWDFBMHB-QVGHQYEOSA-N 438.616 4.913 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1539636542 LFIJGIXUYHKGOD-QTEQDKRBSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCSCC(C)C 1539652106 NRIZKAYAWDEEDY-UHFFFAOYSA-N 440.455 4.838 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1539707908 QPASVNAKQIVTMB-INIZCTEOSA-N 438.373 4.726 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1O 1539952790 JQFAPWKYVGVSEB-UHFFFAOYSA-N 444.377 4.744 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCC(C)CC1 1540051499 GJXMRWXVZASAJT-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@@](C)(CC)O1)C1CC1 1540093953 AQAFQVMTHNSITI-LAUBAEHRSA-N 448.409 4.549 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1540147975 YCGLFNRPKJOKEM-RTBURBONSA-N 437.613 4.722 30 10 IJEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1541894917 GVWKPLJDOOMJCF-RTBURBONSA-N 429.515 4.505 30 10 IJEE C=C1CC(C)(C(=O)NCCN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)C1 1542612354 WRNGJIFZQSQRHX-RIYZIHGNSA-N 425.337 4.502 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CC(C)C 1542662218 QNDGKBSDFIRXLY-CLOONOSVSA-N 445.563 4.914 30 10 IJEE C=CCn1c(SCc2nc(C(C)(C)C)no2)nc2sc3c(c2c1=O)CCCCC3 1559309871 GTVSCRIWDSFDEU-UHFFFAOYSA-N 430.599 4.886 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 1561194358 HEJAMZZKAMMONB-UHFFFAOYSA-N 434.561 4.731 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCSCCOc1cccc(Br)c1 1564067947 WQMPWZVDMMEPSA-LPHOPBHVSA-N 441.435 4.995 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)OCC 1566656512 ODMCUYJHGJJZKB-ILBGXUMGSA-N 426.988 4.945 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CC)[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1OC 1583057237 OJUVVQQIGJWGRT-JIUOVFQPSA-N 434.580 4.957 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1584315360 SMJBREZNRZVWLM-KXBFYZLASA-N 436.335 4.902 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1586031075 BMZBSWZFZBOVQL-WJOKGBTCSA-N 440.565 4.833 30 10 IJEE C=CCc1cc(C(=O)N2CC(Cc3cccc(Br)c3)C2)cc(OC)c1OC 1586477419 QWNIHQYLMKFBBS-UHFFFAOYSA-N 430.342 4.510 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C 1587564761 ZADODGUNVGUYLS-OPYAIIAOSA-N 425.529 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccc(Cl)s1 1587598837 HLHRZPGPVSMBIN-OAHLLOKOSA-N 444.988 4.964 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)Cc1cccs1 1588265897 JVKULFBSQKRMDD-ROUUACIJSA-N 426.561 4.957 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCCSCC(C)C 1588276294 KHVPDBXPJSNTPR-UHFFFAOYSA-N 435.435 4.946 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1CCC[C@@H](C)C1 1588314541 IJFIGUKXUWSBOK-HXUWFJFHSA-N 446.599 4.570 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCCN1CCCC[C@@H]1C 1588473634 PYIVSMWGZJNEOZ-NRFANRHFSA-N 425.596 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1589164592 VTPYIRMCQFJSAQ-KHCICDEESA-N 426.008 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)[C@@H](C)CCC 1589177889 PRZUSDNZPVDMDH-CCLHPLFOSA-N 449.643 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCSCC(C)C 1589242486 BKTCGTAOWLYYFQ-XMMPIXPASA-N 437.613 4.500 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[C@@H]21 1593763268 FWNAWPWZZZVRAK-QAPCUYQASA-N 437.371 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1594473703 XSCDDMYEJRXNQL-SFHVURJKSA-N 434.592 4.538 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 1594559594 NGIYNFASLGBASB-PMACEKPBSA-N 447.624 4.712 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC)c2ccccc2)C1 1595738040 KPKDXPIFUZPHEE-DENIHFKCSA-N 437.613 4.609 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1595895265 IQOLANRVKLZDSA-HXUWFJFHSA-N 426.630 4.933 30 10 IJEE C#C[C@H](NC(=O)/C=C/c1ccc(OCC=C)c(OC)c1)c1ccc(Br)cc1 1596986047 YUKCSAZVFYGZKS-KRSRXSRCSA-N 426.310 4.526 30 10 IJEE C/C(=C\C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccc(F)cc1 1616284658 LWYGASBQBJRVET-DNMVVKLTSA-N 431.298 4.858 30 10 IJEE N#Cc1cccc(C2(NC(=O)Nc3ccc(CC(=O)Nc4ccccc4F)cc3)CC2)c1 1623032724 BZGVXRSIHGJHFF-UHFFFAOYSA-N 428.467 4.689 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)n1 1623683666 ATVZALVTRKQHFC-SFHVURJKSA-N 441.413 4.684 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 1625187548 OXAUVDYRLUZRKI-JOCHJYFZSA-N 433.533 4.600 30 10 IJEE CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2nc(O)c(C#N)cc2C)ccc1Cl 1626217566 ZDSFTLKWDHZONB-UHFFFAOYSA-N 448.910 4.535 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1628408280 DMMPYZHRFDHXBR-AREMUKBSSA-N 437.543 4.863 30 10 IJEE C=C(CCC(=O)OC)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1628759980 CZWUINFHGZNNEN-UHFFFAOYSA-N 431.536 4.624 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCC(C)(C)C(C)=O)c1ccc2c(c1)OCCO2 1633062738 NATTWXKLAJUYFF-UHFFFAOYSA-N 437.536 4.951 30 10 IJEE C=C(C)[C@H](NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1634453105 GYWGBMNUXAKQIN-KXBFYZLASA-N 428.545 4.735 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 1635932086 KAWHONKUATWDGQ-OAQYLSRUSA-N 430.593 4.912 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccccc2)cn1 1640154175 JXQAQCBWJPKSEM-OAQYLSRUSA-N 425.529 4.740 30 10 IJEE C#C[C@H](NC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1 1642102906 GVYMHVVPXYYWQN-IBGZPJMESA-N 427.287 4.864 30 10 IJEE C=CC[C@H]1CCN1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 1648409849 VTYWFCVZCPIWHM-KRWDZBQOSA-N 428.945 4.509 30 10 IJEE N#Cc1ccc(NCc2nc(-c3cccc(Br)c3)no2)cc1Br 1651817159 BBDOYACNMQHGLK-UHFFFAOYSA-N 434.091 4.745 30 10 IJEE N#Cc1c(NC(=O)CN2CCc3cccc(C(F)(F)F)c3C2)sc2c1CCCCC2 1655252197 DOWSFRKZTGTHOZ-UHFFFAOYSA-N 433.499 4.904 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC(CC)CC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1655970448 VBFPYCAZODWZMT-UONOGXRCSA-N 433.643 4.554 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2c(-c3ccc(C)cc3)csc2C(=O)OC)CC1 1661606563 CXXWLQOFCBCFSG-UHFFFAOYSA-N 427.570 4.672 30 10 IJEE CN(C)[C@]1(CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCSC1 1662729441 GKGUDSTTYXVSOZ-NRFANRHFSA-N 447.029 4.922 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1 1666343199 WBZDTBPSNDWYIF-OALUTQOASA-N 429.561 4.752 30 10 IJEE CSc1cccc([C@@H](NS(=O)(=O)c2cccc(F)c2C#N)c2cc(F)ccc2F)c1 1667649150 AHDBWRQLZPTFBV-OAQYLSRUSA-N 448.491 4.765 30 10 IJEE CCC(CC)(CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccc(Cl)cc1 1668015580 CNFPIDQPCFDUAY-UHFFFAOYSA-N 442.966 4.940 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCCOC)c(Cl)c1)c1ccc(Br)cc1 1668288363 LNGCRSIMMVYCDZ-KRWDZBQOSA-N 437.721 4.624 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(C)c2Br)cc1 1668389310 JIGNZFGIYRYOIN-UHFFFAOYSA-N 442.357 4.893 30 10 IJEE CCC[C@@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccc(F)cc1F 1670503207 GJMSCNJVXBJNEK-HSZRJFAPSA-N 449.505 4.758 30 10 IJEE CCN(C[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)c(F)cc2C)C1)CC(F)(F)F 1672569084 ICJPYYHQTOPLMD-LBPRGKRZSA-N 429.380 4.891 30 10 IJEE C#CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1673199858 VXWKTWHKCIBAQK-UHFFFAOYSA-N 425.451 4.572 30 10 IJEE COc1cc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c(F)cc1C#N 1673295715 CJVKVXWJLRLNPX-LJQANCHMSA-N 425.485 4.535 30 10 IJEE C#C[C@@H](NC(=O)NOCc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1674025344 CMMJAINEWVBRQO-MRXNPFEDSA-N 427.220 4.573 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(Cl)cc1F 1674036703 SYNKNHMYPFEEGE-CVDCTZTESA-N 439.962 4.755 30 10 IJEE C#C[C@@H](NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1)c1ccc(Br)cc1 1682356978 QEDQBNOADPWECM-GOSISDBHSA-N 437.259 4.951 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 1683502229 HMOXJNPLJOSCEM-PZJWPPBQSA-N 445.991 4.693 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)c1ccc(F)cc1 1683664271 NXUOEYZZEGXLEQ-OAQYLSRUSA-N 445.332 4.653 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)cc1 1686549854 KRLVPJYATYRUON-UHFFFAOYSA-N 441.369 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)C(F)(F)F 1689841727 MYGMPGWWKOAXJH-HNNXBMFYSA-N 438.494 4.787 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ncc(CC)s1 1689915016 NKFXEQAQCDGPIN-UHFFFAOYSA-N 444.402 4.776 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](CC)N1CCCC1 1690060715 GDJWFXSORMJMPA-HSZRJFAPSA-N 444.627 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)C[C@H]1CC 1690239094 REXIRDALFIILRG-MGTHKWJCSA-N 448.409 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccco1 1690240273 DAYIQFDFVRSEKS-VPWXQRGCSA-N 427.936 4.765 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C(C)(C)C)CC1 1690492204 PXLLFBDKCGCDDY-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC=C(C)C)C1CC1 1690543663 MHGRZXNPZREYJF-UHFFFAOYSA-N 432.572 4.747 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1ccccc1OC)N1CCCC1)C1CC1 1690545145 KNPRSVFUAXWRPW-JOCHJYFZSA-N 437.632 4.867 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCSC3(CCOCC3)C2)cc1 1690679083 KHJVMEMTCRBDHQ-LJQANCHMSA-N 442.629 4.507 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2Cc2cc(Br)cs2)C1 1692842684 DSFHICHKXQNXCE-HXUWFJFHSA-N 442.386 4.947 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1cc(Br)cs1 1705484468 PFDNYFCRLCRFFK-CQSZACIVSA-N 429.387 4.838 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(C)C 1705617795 HXBPPTRFSXDOIJ-LJQANCHMSA-N 444.004 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCN(C(C)C)C(C)C 1705675483 QDISIOYPJQQDSW-RUZDIDTESA-N 425.596 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1705698266 ROPCSJQMALYYEY-QUCCMNQESA-N 425.964 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705705512 IIXWXLLBHSWSCQ-PXDATVDWSA-N 449.574 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)CC(C)(C)C1 1705708598 DZPCCKOIJLIBPV-YDHSSHFGSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1nc(C)cs1 1705713321 BEOTXBVOVHFSFK-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC=CCC1)C(C)C 1705868017 ZIGKTAWETXUGBS-XMMPIXPASA-N 430.600 4.891 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1Cc1c(C)noc1C 1705868197 FGWOWOUNSKWXLH-UHFFFAOYSA-N 449.580 4.785 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccccc1C 1722320207 ZSYDHAOQRBRYIG-OAQYLSRUSA-N 426.568 4.826 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1ccc(Cl)s1 1722384282 SAEVTBYUPYUHTO-UHFFFAOYSA-N 429.376 4.553 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1722481982 CZTGLMLYQAQCOY-FQEVSTJZSA-N 444.421 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1722511983 SNJKDGDGAUCAMW-RTBURBONSA-N 442.604 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1722563139 UKMVEFIOKHSZLW-BTYIYWSLSA-N 449.368 4.554 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(c2cccc(OC)c2)CC1 1722630115 VVQZUELDVOZIMI-UHFFFAOYSA-N 426.605 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1cc(F)cc(OC)c1 1722663325 VPVLHZJMRSGBPA-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1Cc1ncccc1C 1722673910 JEOVBYPSLMCSCI-UHFFFAOYSA-N 427.552 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H]2CCO[C@H](C)C2)C1 1722716797 YSGMYIQRVDKGGN-LVCYWYKZSA-N 430.980 4.585 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722742693 CPTKWDDILXHJQY-KRWDZBQOSA-N 440.535 4.598 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCCC2(C)C)cc1 1724456815 GABGOEVSEXFUID-DEOSSOPVSA-N 439.629 4.560 30 10 IJEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(C)s1)N1CCCC1 1727244235 ACIQMLCIALWJEO-OAQYLSRUSA-N 434.613 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc(C(C)(C)C)cs1 1740557151 LSLSAUCWOVMRSP-GOSISDBHSA-N 437.613 4.734 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OC(C)(C)C)nc1 1740604552 GOUNMIPIMATWDK-UHFFFAOYSA-N 444.366 4.942 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1740675003 ATXLRKZFQGENJD-JTHBVZDNSA-N 445.032 4.889 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@]2(CCSC2)C1 1740741131 PZPSLSVLMKFSLR-SFHVURJKSA-N 439.810 4.841 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC)CC1 1740754975 XBHDEJFUWYUMGK-CVDCTZTESA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740779298 ZMZOJPUAQJLLTP-PMACEKPBSA-N 444.023 4.960 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(CC)CCC)CC1 1740819917 JPKSZZFZQSZJRY-UHFFFAOYSA-N 438.439 4.657 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCOCC(F)F)CC1 1740829695 GHTZUWYTYQNIRZ-UHFFFAOYSA-N 428.936 4.662 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1740834403 VKOSDOSLSPKRMJ-HTAPYJJXSA-N 439.604 4.611 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740834828 JHKNYUSUYXLZHN-OAQYLSRUSA-N 439.604 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1 1740845245 JHISHWDCCZTEGU-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCn1cc(Cl)cn1 1740892305 FIYFDRSEJTWGLP-UHFFFAOYSA-N 439.976 4.549 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)CN2CCCCC2)C1 1740976492 XBVIOWCBZJGEPQ-DENIHFKCSA-N 444.023 4.502 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1741515908 AAVFQTLQWYEOBJ-XUTJKUGGSA-N 433.535 4.759 30 10 IJEE CC(C)N(C)CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1743009803 ICAGFTVFCNUCQZ-MSOLQXFVSA-N 428.650 4.600 30 10 IJEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCOC2CCCCCC2)CCOC1(C)C 1743374928 GWUJIMFAEYOOJD-IBGZPJMESA-N 437.588 4.560 30 10 IJEE CCSc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@](C)(C#N)C2)c1 1747479096 FTNBQEWZRXCETQ-XMMPIXPASA-N 432.597 4.554 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)c1ccc(F)cc1 1748775304 IKWNKDDCLCNOLA-UHFFFAOYSA-N 447.377 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@H]1C(=C)C 1749060562 UTEUZBSHBUBJAL-QATBIIFWSA-N 440.975 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC=C(C)C 1749066956 NVKKQFIKEOPOBC-RUZDIDTESA-N 441.620 4.741 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@](C)(OC)C1 1749257400 QVLVXSBHANPYRK-IBGZPJMESA-N 439.785 4.774 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCC(c2ccnn2C)CC1 1749438358 VYQSUVPIVWOMIF-UHFFFAOYSA-N 434.588 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C(CC)CC)no1 1749467695 YCWKLMOAMOKGNR-UHFFFAOYSA-N 433.354 4.598 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CCNC(C)=O)Cc1ccsc1 1749614037 OFQLYTMJJXETFL-UHFFFAOYSA-N 437.613 4.633 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC(C)(C)C 1751258077 DHHUOMMCAJZZLX-VQIMIIECSA-N 431.968 4.627 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC1CCC(OC)CC1 1760194494 JRKFHWUGWKUZMI-BOMBAVFCSA-N 448.611 4.703 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1CCN(CCC)CC1 1760298381 FSFIFYLHINQPER-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760321372 FWERPNQUWVEZQC-RDTXWAMCSA-N 443.539 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCCC1(C)C 1760328535 XIUFXDAIUCSRFK-GCJKJVERSA-N 442.629 4.939 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SCC)C1 1760351994 ONNWFZKWGFBUNL-OAQYLSRUSA-N 425.602 4.521 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1760368027 XESQDZGSKVYVCN-WZONZLPQSA-N 446.979 4.576 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nc(C)c(C)s2)CC1 1760383985 GIDZJCKJYCGHLE-UHFFFAOYSA-N 431.512 4.825 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C2CCOCC2)C1 1760424189 ZFOUYJXCSCWXHC-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCC(C)(C)C1)C1CC1 1760471363 TZVZIRBWCQLCSI-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760506475 AGNVGVXBEIWUDF-OXQOHEQNSA-N 432.515 4.874 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCSC)C1 1760537942 URBPFIHHKZNLEG-OAHLLOKOSA-N 427.401 4.786 30 10 IJEE C=CCSCCn1c(N2CCc3cc(Br)ccc3C2)nnc1C(C)(C)C 1760568667 PBOXOGNOOOCATQ-UHFFFAOYSA-N 435.435 4.820 30 10 IJEE C=C1[C@@H](O)[C@@H]2C=CC[C@H](C)CCCc3ccc(o3)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C 1857554168 OTRBDQHTTQBOAZ-WDEFJXGESA-N 445.603 4.976 30 10 IJEE CCCCCCCCCNC(=O)Cc1csc(Nc2ccc(Cn3cncn3)cc2)n1 1860374429 HHMYUXUSSIHWSL-UHFFFAOYSA-N 440.617 4.936 30 10 IJEE C=CCN(CC=C)C(=O)C1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 1860618959 UQWIQXNMPIVFTD-UHFFFAOYSA-N 439.383 4.592 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)ccc(Cl)c1OC 1861965855 WMSPCAFPRIPFSC-IBGZPJMESA-N 447.362 4.544 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2cccc(O)c2)cc1 1862389372 DOXPVTRFOIPMGW-HSZRJFAPSA-N 437.536 4.740 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431355 FURBXFGNBUMJAK-LJQANCHMSA-N 434.319 4.734 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2F)ccc1F 1862503364 WGCZDVPGFNAAIJ-FQEVSTJZSA-N 427.378 4.784 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862519087 AYECXOCKXXHFBS-QFIPXVFZSA-N 449.503 4.695 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCC(C)C)ccc1O 1862537059 NDKWGLVXTQQCNT-QHCPKHFHSA-N 437.536 4.978 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2C)cc1 1862554575 GJGJGPHMOKMCOB-XDHUDOTRSA-N 442.515 4.925 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1cccc(O)c1)c1cccc(O)c1 1862589064 CZAILFIHEHKHRZ-NRFANRHFSA-N 435.863 4.530 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccc3ccccc23)cc1 1862666806 MKQNAEAXPUXPPA-BXKMTCNYSA-N 429.516 4.922 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2c(F)cccc2Cl)cc1 1862667383 ZXHQFYYSLBMWCB-OAQYLSRUSA-N 444.934 4.742 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863129289 GSDZXXRSUKCZQI-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCN(CC)CC)C1=O 1863791215 ILTPTFAECAWGKO-UHFFFAOYSA-N 445.623 4.896 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1ccccc1 1864004635 ZLFKSAGXGBWYML-OAQYLSRUSA-N 438.616 4.934 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3[C@@H](C)COC[C@H]3C)n2)cc1 1868535524 QAIVCTUTBZIEHE-HDICACEKSA-N 429.524 4.771 30 10 IJEE CN1CCN(c2cc(Nc3ccccc3C#N)nc(-c3cccnc3)n2)C[C@@H]1c1ccccc1 1868572451 NOQFDEKTNKWRIJ-XMMPIXPASA-N 447.546 4.647 30 10 IJEE C=CCOc1cn(CCCCCCCCCC)c(CN(CCOC)CCOC)cc1=O 1870386983 LDMFLNMZJSEJKV-UHFFFAOYSA-N 436.637 4.649 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc(C)cc2C)cc1=O 1870814127 XJVYJZHQRWFCJK-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc2cc[nH]c2c1 1870841765 XXDUCLIVCPKSLB-UHFFFAOYSA-N 437.540 4.630 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)c(OC)c1 1871429226 MPMIJBRXYLGWHJ-QRVIBDJDSA-N 440.492 4.678 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)cc3)ccc2C1=O 1871456785 WLMFAEFRQHOFHE-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)c(OC)c1 1871459759 BWCDWQOGHZWFMY-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872024380 TVONGUFYCGVKHT-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872268867 ZUNDIMVRWLPUCP-XXBNENTESA-N 428.598 4.842 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873245431 ILNYUHAZUKZRNV-XCLFUZPHSA-N 439.437 4.746 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OCc1ccc(Cl)cc1 1873499901 UWPVLLQCVASDNY-NUGSKGIGSA-N 442.850 4.709 30 10 IJEE Cc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1874278627 XTAQDURFPGSAKO-YYHBXHNPSA-N 447.608 4.875 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(OCC)cc1 1874297091 KFJJGKVGMDUVCE-OEAKJJBVSA-N 437.525 4.726 30 10 IJEE COc1ccccc1CCc1nnc(SC)n1/N=C/c1c(OC)ccc2ccccc12 1874311371 IJBRCUKFFKWTNZ-PCLIKHOPSA-N 432.549 4.838 30 10 IJEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccccn2)cc1 1874316362 PZYCQKYZYRAMKL-WPWMEQJKSA-N 447.539 4.998 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2C2CCCC2)ccc1OC(=O)c1ccccc1 1874454077 ZPBAXPBFCYLCAR-BUVRLJJBSA-N 436.537 4.768 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccccc2)cc1 1874528666 VLQZPPCRXYCMTI-LFVJCYFKSA-N 437.569 4.769 30 10 IJEE CCCOc1c(/C=N/n2c(S)nnc2CCCOc2ccc(C)cc2)cccc1OC 1874566706 JYXOTDAEQDJMPA-LFVJCYFKSA-N 440.569 4.566 30 10 IJEE COC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(OC)c(F)c3)ccc2OC)o1 1874597414 LDEJQSGJWJENJN-XBXARRHUSA-N 440.423 4.698 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OCCO)c(Br)c1 1874633717 QZIPIALSXHYAAO-HWKANZROSA-N 425.706 4.687 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(Cl)cc1 1874650461 IGGGRIPFOUNQTD-XMMPIXPASA-N 449.982 4.682 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875158423 VSVJIJFUQBZRLC-QQDOKKFESA-N 436.351 4.757 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)c(OC)c1 1875178573 QQQBAASMFOFZSS-DHZHZOJOSA-N 442.508 4.959 30 10 IJEE Cc1c(C#C[Si](C)(C)C)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C=O 1887514185 KNQCWEMSWFGAQJ-UHFFFAOYSA-N 428.649 4.710 30 10 IJEE C[C@@H](C#N)c1cccc(C(=O)N2CCC(CN(C)c3ccc(C(F)(F)F)cn3)CC2)c1 1890807279 RFNJGJNFTDBDLY-INIZCTEOSA-N 430.474 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)c1ccc(I)c(Cl)c1 1922069040 NILHOTHNDHRXKJ-GOSISDBHSA-N 427.713 4.978 30 10 IJEE CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C(=O)O)no1 1952321740 OGQFRGPTDBTORA-FQEVSTJZSA-N 438.505 4.661 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2005330046 XQFGZCORCSUUKU-QVKFZJNVSA-N 434.541 4.511 30 10 IJEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@H]21 2065610695 ZXLGEKYXAOJIKH-KHCICDEESA-N 449.592 4.617 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1)c1cccc(Br)c1 2072715371 KYMCHUQJVALCLG-LJQANCHMSA-N 426.310 4.970 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](Nc2ccc(C#N)c(Br)c2)(C(F)(F)F)C1 2105981700 OQBROGYNGCJTAS-MRXNPFEDSA-N 434.256 4.675 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CCCN(Cc2ccccc2)CC1 2160575479 HNFABBRYQPZCRG-QFIPXVFZSA-N 427.386 4.605 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3cc(Br)cc(F)c3C#N)C[C@@H]21 2174813127 SFENCBGZCFKFJA-YLQAJVPDSA-N 438.341 4.589 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N(CCC#N)CC2CCC2)c1 2181044725 ISOCDWGVSKWRKQ-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181099306 BMXZKPNOKVGAGM-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OC)c1Br 2207358391 WUZMHGNCJHMWHW-LPHOPBHVSA-N 439.394 4.805 30 10 IJEE N[C@H](C#Cc1sc(Br)c(Br)c1Br)C1CCCC1 2216398498 XAOXMQBABRZELL-MRVPVSSYSA-N 442.014 4.905 30 10 IJEE C[C@H](C#N)C1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CC1 2236698897 HNRCAPHXGSFFJS-CYBMUJFWSA-N 436.350 4.808 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCCC[C@@H]1CNC(=O)OC(C)(C)C 2262199523 IZHXKYCVQBHZAT-PXDATVDWSA-N 447.572 4.704 30 10 IJEE C=CCCC1([C@H](N)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266309195 CCMCSGSTPCFFRW-MRXNPFEDSA-N 431.321 4.930 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267111156 NVZSVWZYUGELCM-LJQANCHMSA-N 437.389 4.681 30 10 IJEE C=CC[C@]1(COc2nc(C)ncc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272147564 DWWKZWUUVJWPBF-IBGZPJMESA-N 426.355 4.520 30 10 IJEE C=CC[C@]1(COc2cc(Br)c(C)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272147819 GASKPNKUJVYWPH-FQEVSTJZSA-N 425.367 4.922 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCc2cc(Br)ccc2C1 2291121549 QOELOKDQZQOESQ-QFIPXVFZSA-N 431.326 4.551 30 10 IJEE NCCO[C@]1(C#Cc2cccc(Br)c2)CCCC[C@@H]1OCc1ccccc1 2296274017 RSYCMNLGEXMIKV-GOTSBHOMSA-N 428.370 4.674 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 2296557878 SZJLOFZQILOBOZ-IBGZPJMESA-N 438.480 4.696 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OC)c(OC(=O)c2ccc(OC)c(OC)c2)c1 2296777125 KTTAVZUOONNVCV-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCN[C@@H](C#C[C@H]1CC1(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2301432960 CJDKQFLDPVATQR-XXTHSBEZSA-N 428.617 4.903 30 10 IJEE CC(=C1SC(=Nc2cc(C(=O)O)ccc2C)NC1=O)c1ccc(Br)cc1 2314557505 KKFLUTOUQCAYBR-UHFFFAOYSA-N 431.311 4.737 30 10 IJEE CCOc1cc(C=NNc2cnnc(O)c2Cl)ccc1OCc1cc(C)ccc1C 2323101828 JTNNIJXBZUKLPY-UHFFFAOYSA-N 426.904 4.876 30 10 IJEE CCCOc1c(Cl)cc(C=Nn2c(S)nnc2Cc2ccccc2)cc1OCC 2323511464 DJWQCOCKEFFGMK-UHFFFAOYSA-N 430.961 4.881 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1 2324055192 OYCRCLVMTYJNRA-IYBDPMFKSA-N 435.520 4.581 30 10 IJEE CCCNC(=O)COc1c(OC)cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1OC 2324335607 RDIGAWHAUKLPRG-UHFFFAOYSA-N 439.552 4.739 30 10 IJEE CCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2326677614 VQDMFRRXWPRLJX-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327016717 GXDKZYPIIRKEPX-UHFFFAOYSA-N 437.525 4.667 30 10 IJEE CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(Br)cc1 2327141578 OXSCBGYDDMBSKK-UHFFFAOYSA-N 445.386 4.965 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2327549035 PGHSIGVGEKEPOZ-UHFFFAOYSA-N 443.916 4.969 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2C)o1 2330482521 WCULQBSKWQFRDD-UHFFFAOYSA-N 446.532 4.731 30 10 IJEE COc1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@H]1CCCO1 2330994432 ANBMFEFTBNYQFA-LJQANCHMSA-N 428.945 4.966 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCCO)cc1OCC 2331351848 GORJAAMDOXDUAW-UHFFFAOYSA-N 434.606 4.555 30 10 IJEE COCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cn(C)c2ccccc12 2331601655 OPCDDRHKAVQJGS-UHFFFAOYSA-N 425.945 4.744 30 10 IJEE COc1cc(C(=O)C=Cc2cc(Cl)c(OC(C)=O)c(OC)c2)c(OC)cc1Cl 2331685152 MWCWXDSHPOQWGO-UHFFFAOYSA-N 425.264 4.841 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)COC 2331759046 ULRXFPOUGHSNAG-UHFFFAOYSA-N 444.911 4.842 30 10 IJEE C=CC[C@@H](Oc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN1C(=O)OC(C)(C)C 2335889211 WHEIQBFTRKRGSZ-DZGCQCFKSA-N 427.295 4.690 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339576186 FLNBZFGKKRLMMD-ZOBSEURRSA-N 443.397 4.928 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)CCc2ccc(OC)cc2Br)C1 2364847508 VVOFACNYHLMHIB-SFHVURJKSA-N 439.394 4.579 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@H](N)C#Cc2ccccc2Br)C1(C)C 2370440638 QLCDZQWOLFPMEX-ZHALLVOQSA-N 435.406 4.848 30 10 IJEE N#Cc1ccc(Br)cc1N[C@@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2378881913 CSHRHNFDPKMBEN-CTNGQTDRSA-N 429.314 4.715 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 16717432 VJBMWZNFHCRFGQ-MRXNPFEDSA-N 447.585 4.897 30 10 IJEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccc(F)c(F)c3)S2(=O)=O)cc1 20132756 WZNJECQRERQPTO-LPYMAVHISA-N 440.471 4.759 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nccn1-c1cc(C)cc(C)c1 25370765 FAUMPRDMDFMIGA-IBGZPJMESA-N 434.565 4.925 30 10 IJEE CCOc1ccc(C(=O)C2=CN(c3cccc(C#N)c3)c3cc(F)ccc3S2(=O)=O)cc1 32984455 ZMUANVQANQSPJG-UHFFFAOYSA-N 448.475 4.746 30 10 IJEE C=CCc1ccccc1OCCCCn1c(CNC(=O)c2cccnc2)nc2ccccc21 40181020 OQVWXBPYJLZKKM-UHFFFAOYSA-N 440.547 4.949 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 100263081 LJZFXFQQJWGVHJ-VKWHMPGMSA-N 426.300 4.723 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 102535085 JDFNJFNOLUPQBB-VFJWVMJUSA-N 432.451 4.636 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 169926131 ZBSKVHCIYSCDIY-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 170068635 RXIMRMKTRUHGNR-RUZDIDTESA-N 434.580 4.659 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3cc(C)c(C)cc3[nH]2)[C@H]1c1ccco1 170098693 SCRLUVGHTLGZMG-NRFANRHFSA-N 443.459 4.564 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccs1 170162749 SGLXDMVSLVLVLF-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)cc1C 170184227 DDTHBEBYIBMPQA-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccnc2)c1 170185579 XYSUWXJZFYASKG-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)ccc1Br 170196929 YDQYMLLHXITOGT-IBGZPJMESA-N 441.325 4.673 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)cc1 170224650 YSYYDZNORVKFQJ-HSZRJFAPSA-N 429.472 4.962 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@H]2c2ccco2)c1 170278596 KHXWZCJZPYJMHK-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE Cc1ccccc1C=Nn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3)c(C)nc21 254506338 WQRNAXPTABXMRN-UHFFFAOYSA-N 444.498 4.783 30 10 IJEE Cc1cccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1Br 446489856 FDHXLZWJKQYUIK-UHFFFAOYSA-N 429.318 4.536 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 460561806 GLNVYBPBPKDGQF-MLCQCVOFSA-N 436.600 4.883 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 460928532 PFHPOMMXUDTUGE-JOCHJYFZSA-N 429.524 4.752 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccoc1C 468113231 KGVMWJJAPUKGQN-HNNXBMFYSA-N 434.525 4.542 30 10 IJEE COc1ccccc1Oc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1F 504097836 YACKLGHJCJYVDZ-HSZRJFAPSA-N 428.460 4.827 30 10 IJEE CCOc1ccc(C2=CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)cc1 509461875 FURWXWJTPRHKTN-HXUWFJFHSA-N 433.552 4.518 30 10 IJEE C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 524114017 LGALRDFKPWKRAZ-OAHLLOKOSA-N 439.309 4.854 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Br)ccc1OC 526803542 YXEZZIYSPAXZKC-JJFYIABZSA-N 449.349 4.925 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2nc(=O)cc(C)[nH]2)cc1 606773348 IYQPADABAXSGME-UHFFFAOYSA-N 429.398 4.581 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 615656847 RLGWFQARJNENRZ-UHFFFAOYSA-N 436.453 4.606 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 719505899 PVYAHLKKHBFJBR-HOTGVXAUSA-N 429.786 4.540 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)cc1 727122368 CJUFPNJVWXZOAZ-UXPWSPDFSA-N 442.560 4.501 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 733201415 KKSFSXAXEJURGB-HXUWFJFHSA-N 439.968 4.940 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccc4oc(C5CC5)nc4c3)c2)s1 740506519 BKIXOQFACPFOFC-UHFFFAOYSA-N 442.500 4.560 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc(C(C)C)c1 742214145 VOZBHIWYNHWNGT-JOCHJYFZSA-N 449.576 4.889 30 10 IJEE N#Cc1cc2c(nc1NC(=O)COc1ccc(C3SCCCS3)cc1)CCCC2 775605380 BVXKTYOBZDOLSF-UHFFFAOYSA-N 425.579 4.718 30 10 IJEE COc1cc(/C=C\C(=O)c2ccc3nc(O)oc3c2)cc(Br)c1OC(F)F 794714275 IGJVUACDXJYIDT-DJWKRKHSSA-N 440.196 4.802 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=NNc2c(F)c(F)nc(F)c2F)cs1 916325216 BUPBKIMQZBQHOG-UHFFFAOYSA-N 437.422 4.842 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)SC1=Nc1ccc(OC)c(Cl)c1 1084086399 OLGNQBYGGBQACS-LJQANCHMSA-N 445.972 4.946 30 10 IJEE CCCC[C@@H](CC)OC(=O)CSc1n[nH]c(NN=Cc2ccc(N(CC)CC)cc2)n1 1084582791 NXWZPDAFHHJRFW-LJQANCHMSA-N 446.621 4.701 30 10 IJEE Cc1cc(C(=O)Nc2ccc(Br)c3ncccc23)nn1-c1cccc(C#N)c1 1131107633 ASVCNVKPPGZDIN-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C#CC[C@]1(C(=O)N2[C@H]3CC[C@H]2CC(CC(F)(F)F)C3)CCCN1C(=O)OC(C)(C)C 1134420588 FLGLJXBJJNBJGE-XGHQBKJUSA-N 428.495 4.501 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 1135414539 DDBXVEPKOHGEOM-UHFFFAOYSA-N 438.877 4.882 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)c(OC)c1 1136246118 IOKGRCKMNCFRTA-NHCUHLMSSA-N 436.596 4.597 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] 1141986744 MULOERFFNKBXQU-UHFFFAOYSA-N 435.274 4.638 30 10 IJEE CC#CCN(C)C(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1160068233 VMYDKQWPWCUKSV-FQEVSTJZSA-N 430.548 4.519 30 10 IJEE N#Cc1cc(NC(=O)c2cc3cc(Br)sc3[nH]2)ccc1Br 1179041610 ABGMLCRUHFXUTF-UHFFFAOYSA-N 425.105 4.878 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC)C(C)(C)C 1214212388 NQODKIBVIABVIS-QFIPXVFZSA-N 437.540 4.906 30 10 IJEE Cc1cc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1NC(=O)c1ccco1 1214943032 CIQDFWBSRAKNPH-UHFFFAOYSA-N 443.507 4.503 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1218287949 DSLDDXRZKKBMNI-MRXNPFEDSA-N 430.549 4.504 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C)c1ccc(Cl)cc1F 1221596422 OKIZFPCEVQTUDY-ZSEKCTLFSA-N 428.870 4.847 30 10 IJEE C=CCC[C@H](NC(=O)NCc1c(C(F)(F)F)cnn1C)c1ccc(C(F)(F)F)cc1 1230693874 NJMIJFKBWDBBGC-HNNXBMFYSA-N 434.384 4.964 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 1230804313 GXDZWGFBWAHCGV-UHFFFAOYSA-N 428.577 4.563 30 10 IJEE C=CC[C@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 1252888475 OFGHXLPUGHFJAG-IOMROCGXSA-N 431.552 4.526 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 1264834321 YJTIVJAQTPNHAB-WCQSIDKYSA-N 447.966 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCO[C@@H](C)C1 1286400760 GANIDEZZLISFIZ-VQTJNVASSA-N 436.625 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(CC)CC1CC1 1286552346 LXOLHZQWHTXIER-LZNRXBQRSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2Cc3ccc(Br)cc3C2)nnc1C(C)(C)C 1286568803 YKSMAVDTKPUKIN-QFBILLFUSA-N 445.405 4.840 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286624526 IESSVITVQMGIGO-INIZCTEOSA-N 449.958 4.530 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N2CCC(C)CC2)CC1 1286665755 NTRCZCWFQJDAQV-MDNUFGMLSA-N 443.680 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1286669611 LWDNRBKDZXNGRF-HXUWFJFHSA-N 446.599 4.666 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1CSC 1286698790 HHEXLFCHWQEJPR-LJQANCHMSA-N 449.665 4.691 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2c(C)coc2C)C1 1286803478 IHKWQDOEGQVFJD-LJQANCHMSA-N 444.482 4.586 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@H]1C[C@@H]1C 1287605029 CGXKOGVHQUZVEH-RXVVDRJESA-N 447.587 4.583 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3nn(-c4ccc(F)cc4)cc3Br)cc21 1289390232 GRVFEZRAVULYCK-UHFFFAOYSA-N 440.276 4.562 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1nccs1 1294575890 BBGQUPAUIKDHGR-UHFFFAOYSA-N 434.594 4.842 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C1)c1ccsc1 1295396139 BMLJCZSSSWTOKA-XMSQKQJNSA-N 434.613 4.808 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1296463437 PUPUDBXENPHKLD-UHFFFAOYSA-N 440.499 4.633 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300275332 TUAJUWCMYBMNOX-RJSMDTJLSA-N 437.632 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccsc1Br 1300281563 KFDYURBJYGJYNN-AWEZNQCLSA-N 429.387 4.838 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC2(CCOCC2)C1 1300347956 HTOVNZINJJZGEY-UHFFFAOYSA-N 442.991 4.808 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1300371409 RPUWFMOLGHAPNJ-UHFFFAOYSA-N 432.568 4.885 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc2cnccc2c1 1300385930 JCMNVKPFULWVNE-UHFFFAOYSA-N 449.356 4.634 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1nc(C(C)(C)C)cs1 1300430429 MLRUXRLEGXXDAA-INIZCTEOSA-N 441.576 4.623 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1300643895 OZADXHDKPUPZFW-OALUTQOASA-N 446.064 4.804 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1300767590 ACSJGLRSERMFOB-OAQYLSRUSA-N 445.032 4.609 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1301055147 FMFLXTSRWSAUST-IBGZPJMESA-N 430.961 4.802 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H](OCC)C2CCCC2)CC1 1301072090 CXEAUAUOESZYFB-JOCHJYFZSA-N 439.560 4.995 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccs2)CC1 1301096910 JZZRJWSRLBIMFT-SFHVURJKSA-N 429.590 4.616 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC(C)(C)COCC)CC1 1301097217 RYUWJRQJEGDECJ-UHFFFAOYSA-N 430.618 4.798 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1301120191 JWOHMZLVMNXXPE-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1301383892 JYJHMCKPQURTIG-LADGPHEKSA-N 429.568 4.995 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1301434440 RIEXOBSZTOINHA-IFXJQAMLSA-N 442.361 4.818 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(C)ccc2OC(F)F)C1 1301541899 GDMVFCTWXCIVME-GOSISDBHSA-N 444.482 4.586 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1C[C@@H]1CCCCS1 1301773704 HYLNDOMDIFGUMU-QFIPXVFZSA-N 439.629 4.746 30 10 IJEE C[C@@H]1COCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1304980254 FFGXQCXYWBBHOU-TVFCKZIOSA-N 427.618 4.542 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CCNC(=O)OC(C)(C)C)cc1 1309649435 NVPMUEZTCSSNDI-GHTZIAJQSA-N 436.618 4.509 30 10 IJEE CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 1310382069 HIJJKZMGSAKWHB-NRFANRHFSA-N 441.373 4.930 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1 1310862642 QHCGNZJSWITALE-UHFFFAOYSA-N 441.329 4.971 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C1CCOCC1 1312112779 KQHLJLHUELUTBA-NRFANRHFSA-N 432.442 4.725 30 10 IJEE COC(C)(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@](C)(C#N)C1 1315137179 FOWVKOSXCSOKMA-RUZDIDTESA-N 439.604 4.844 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc(C)sc1C)c1ccc2c(c1)OCCO2 1348530318 PCJZGTHRDATNLE-UHFFFAOYSA-N 436.533 4.943 30 10 IJEE C=CCC1(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)s2)CCCC1 1349941180 TUJAIAKQNXAFEF-UHFFFAOYSA-N 430.599 4.961 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1351826377 JVINJRYJAXAHKY-IBGZPJMESA-N 432.973 4.813 30 10 IJEE C=CCCCCCN(C)C(=O)c1cc(I)ccc1Br 1354055381 XUXSHTPPGADYIC-UHFFFAOYSA-N 436.131 4.872 30 10 IJEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 1355669337 CZECVNABOBYVHV-UHFFFAOYSA-N 448.548 4.788 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cccc(C(F)(F)F)n1 1358873618 LQMAIPQEBAXCJN-APWZRJJASA-N 427.474 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CC12CCOCC2 1358881550 IEHZHEIRRZKQIR-RBBKRZOGSA-N 436.600 4.645 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC[C@@H]1C 1358912832 ZLULZDMXHLYLJA-PCCBWWKXSA-N 443.636 4.821 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](C)[C@@H]1CC 1359087412 DVZXAKQONLCTGI-WBVHZDCISA-N 449.393 4.789 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ncccc1C 1359109648 JLDWFAWLKQVYJJ-UHFFFAOYSA-N 435.572 4.895 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](C)[C@@H]1C 1359132481 YNBJTUMQACVAAO-ZWKOTPCHSA-N 439.585 4.523 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1cccc(O)c1 1359137448 QDHSTUXNLAHSEL-STZQEDGTSA-N 442.604 4.692 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1 1359139744 CAKQZIORAHPANH-UHFFFAOYSA-N 448.615 4.507 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1359197512 RIYPOFGMJAKBEJ-JOCHJYFZSA-N 449.555 4.674 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1359218781 VJCCXRFGSXXNIX-NRFANRHFSA-N 449.624 4.543 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CCOCC1 1359220018 LPUBMPNKAOQLQN-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1(OC)CCCCC1 1359260988 TXJPIFKWWOMUDW-UHFFFAOYSA-N 449.574 4.945 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359336887 FDMDCOOJEVRMBU-BDTNDASRSA-N 426.630 4.745 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](CC)C1 1359336898 FFDYJFHDAVDKEZ-IRXDYDNUSA-N 436.622 4.808 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c1 1361104607 VKKJHPOJCXZLDP-LJQANCHMSA-N 432.520 4.763 30 10 IJEE C#Cc1cccc(CNC(=O)CCCCCc2ccc(I)cc2)c1 1436733473 NQJFQGICGPDFLT-UHFFFAOYSA-N 431.317 4.692 30 10 IJEE N#Cc1cccc(OCC(=O)Nc2cccc(C3CCN(Cc4ccccc4)CC3)c2)c1 1436965286 BZQXRJYFXICJBF-UHFFFAOYSA-N 425.532 4.955 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1466652215 KLVJBQISIWRRBP-UHFFFAOYSA-N 429.293 4.994 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1467757609 WBFSZCNFPQRQMW-DFBJGRDBSA-N 430.548 4.708 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cc(C(F)(F)F)n(C)n1)c1ccc(C(F)(F)F)cc1 1469490858 GCDLYODHXUHSMU-OAHLLOKOSA-N 434.384 4.964 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1ccc(Cl)cc1F 1469885628 QXTJFNUXHQMZIW-RTBURBONSA-N 441.856 4.774 30 10 IJEE C#C[C@@H](NC(=O)N(CCCO)[C@@H]1CCCc2ccccc21)c1ccc(Br)cc1 1470663768 RIRLYTPCWXZJQY-FGZHOGPDSA-N 441.369 4.595 30 10 IJEE N#Cc1cccc(Oc2ccnc(N3CCN(c4ccc(Cl)cc4Cl)CC3)n2)c1 1472826576 DHCLZGHOOMQADV-UHFFFAOYSA-N 426.307 4.774 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1475835470 OVKKNQMHBDYZAO-UYAOXDASSA-N 449.617 4.516 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)cc1 1476082544 CEFPLQCNMXGBOB-VGOFRKELSA-N 431.492 4.645 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 1476729411 UNEAJLDYLSXXSA-RDJZCZTQSA-N 435.318 4.727 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2cccc(-c3nc(C(=O)OC)cs3)c2)CCCC1(C)C 1478430218 BEXRIHGLUDPMFW-IBGZPJMESA-N 427.570 4.873 30 10 IJEE C#C[C@@H](NC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1 1478897372 VLSFKOBAQDPLSJ-CTNGQTDRSA-N 436.861 4.734 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCc1cc(OC)c(OCc2ccccc2)c(OC)c1 1479031762 WBECYLGITWZHRI-SZPZYZBQSA-N 436.552 4.718 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C2CC2)CCC1 1507523781 PKBDIHYNGZVSKX-OAHLLOKOSA-N 443.389 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCN1CCCC 1507766356 NLNCJUBSEPQBNT-HFZDXXHNSA-N 435.616 4.600 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(COc3ccccc3)CC2)nnc1C(C)(C)C 1507811546 RZUIKQSSMMWSNF-JTHBVZDNSA-N 438.616 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC1CC(OCC)C1 1507817112 GWQZQEGPXCAAND-UHFFFAOYSA-N 436.398 4.643 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1507845170 XPWYNGDTCUIVDA-FYYLOGMGSA-N 440.588 4.505 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1507856478 HTVUYCZWKYTFOF-UHFFFAOYSA-N 443.882 4.818 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1507866825 DFXUIOBDFZBTSW-LJQANCHMSA-N 442.947 4.711 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1507880100 ZXZCRUNMWYXVIX-FPOVZHCZSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 1507897973 UJDXQVWXRCCXOM-AEFFLSMTSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(c2nc(C)no2)CC1 1507916591 BXOWTONSBKEMQQ-UHFFFAOYSA-N 434.588 4.855 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCCN1CCCC[C@H]1C 1508000538 XWABYZKWYHWGIF-OAQYLSRUSA-N 432.616 4.874 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C 1508015023 ZTLDLSRSMCLPCI-NHCUHLMSSA-N 431.669 4.569 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1512171143 BDPJYFVIMMBQNG-REWPJTCUSA-N 434.632 4.952 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)s1 1518533213 FCLZSRRIUGWBQM-UHFFFAOYSA-N 445.050 4.855 30 10 IJEE C=CCOc1ccc(CC(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1 1521179561 RMTIVAZOVWVBMX-UHFFFAOYSA-N 428.248 4.892 30 10 IJEE C=CCCSCCNC(=O)c1csc(-c2cc(Br)ccc2OC)n1 1527931604 BCGRWJZIXJFNGY-UHFFFAOYSA-N 427.389 4.620 30 10 IJEE C=CCOc1cccc(NC(=O)c2c(F)ccc(I)c2Cl)c1 1534966358 MKXYVCMAOMNVSG-UHFFFAOYSA-N 431.632 4.901 30 10 IJEE C=C[C@H](OC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccccc1 1538938911 OMBMNYBSSQYPOJ-SFHVURJKSA-N 426.450 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)c1ccco1 1538972394 HXGCUVYQKJTHRX-RCDICMHDSA-N 440.956 4.772 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1539134595 XRSUREDBRNEHJR-QHCPKHFHSA-N 432.568 4.982 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCC2)c1 1539372357 WTUBWCYIVGCHQW-UHFFFAOYSA-N 449.986 4.747 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC1CCCCC1 1539700323 XRXWRGZRSOVIDX-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1539894214 CDWBVSRMVRCKAD-UHFFFAOYSA-N 447.530 4.989 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc([C@H](C)O)cc2)CC1 1539896917 XEWDUEHXAVLOAJ-CDNPAEQRSA-N 438.616 4.701 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn2ccccc12 1539945552 QBOIOGRSGOZDQL-UHFFFAOYSA-N 435.963 4.872 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1539961539 YNGCAPSCURKYRA-UHFFFAOYSA-N 430.556 4.784 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](CN(C)CCC)C1 1539991708 QOWMITLKHCFFJD-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1540879868 QRZGFNRWURFPDU-HDICACEKSA-N 441.526 4.624 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@H](SC)C1 1540880865 SDLMUAPFENOJIV-RBBKRZOGSA-N 442.629 4.855 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCCN2C[C@H](C)C[C@@H](C)C2)s1 1540903427 ALIRWFLQMLUFBM-HUUCEWRRSA-N 430.083 4.713 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cccnc2OC2CCCC2)s1 1540952090 FYPIABILMMMBQK-UHFFFAOYSA-N 438.018 4.871 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(-c4ccc(F)cc4)cc3)cc2C1=O 1544823262 YJPXIZKTSALZDL-INIZCTEOSA-N 428.463 4.766 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](C)c3c(Cl)cccc3Cl)n[nH]2)c1C 1544892767 OHVFEPHYMXEIRH-GFCCVEGCSA-N 432.355 4.916 30 10 IJEE C=CCCC[C@H](NC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccccc1 1559028989 MARNLBCAFIARLI-QFIPXVFZSA-N 441.535 4.668 30 10 IJEE C[C@H]1OCC[C@]12CN(C(=O)Nc1ccc(Sc3ccc(Cl)cc3C#N)cc1)CCO2 1562953254 IBXZOQXIRIJEED-QRQCRPRQSA-N 443.956 4.775 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 1564798211 GSLSPRCXPABENU-UHFFFAOYSA-N 427.479 4.621 30 10 IJEE C=CC1(CC(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)CN(C(=O)OC(C)(C)C)C1 1584842434 KNDFHWQXIXPULI-LJQANCHMSA-N 426.561 4.580 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 1586082418 XPLPDPDBVHFDRO-NRFANRHFSA-N 432.973 4.562 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)[C@@H](C)CC 1587562922 VFWOPQWJSSQNPS-LYXWCMDISA-N 447.023 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@@H]1C 1587563113 XSXTXUBSLYQMCA-SLFFLAALSA-N 444.023 4.794 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@@H](OC)C1 1587712193 OWMNAURTXQFMEB-KXBFYZLASA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1587718763 NPWKSLHVKWQEEF-LJQANCHMSA-N 449.555 4.598 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1587883428 AJHOVPAZISVCOW-QHCPKHFHSA-N 446.599 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccsc1Br 1589227816 DEIQJWCCDNZZPY-LJQANCHMSA-N 447.427 4.795 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1589316464 CAYZUMCQYFXYEE-ROUUACIJSA-N 446.418 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1sccc1C 1589651814 HNKUVHYGAJUJTB-UHFFFAOYSA-N 434.569 4.609 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCCc1nc2c(s1)CCCC2 1589657495 DYOGAYHPFGJTNC-GOSISDBHSA-N 429.634 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](F)(C#N)C1 1594461904 ZCQYAIBNXSJQES-FQEVSTJZSA-N 432.341 4.752 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1594552119 HTNOSPJXLPNGGF-RUZDIDTESA-N 444.627 4.544 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCN(C(C)=O)CC1 1594582028 KZNCKPJBHJHAOD-UHFFFAOYSA-N 441.645 4.690 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1594997196 ACYVNOZDKZHOCJ-REWPJTCUSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@]1(C)OCCc2sccc21 1595133821 NBWQTGJANVETBH-QHCPKHFHSA-N 426.561 4.722 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CC(C)(C)N1CCc2ccccc2C1 1595162123 WTJFJIVJRFRIKS-UHFFFAOYSA-N 435.641 4.932 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(C)c1)c1ccc(F)cc1 1596944740 LUUQURUCMXYPJO-VJGNERBWSA-N 426.535 4.840 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)cc(OC)c1OC 1598112106 XNWNHVXQVBUOBT-UHFFFAOYSA-N 427.504 4.906 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc2n1 1611188696 XBWMGKRJIKDLBO-IERDGZPVSA-N 443.334 4.687 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4c(F)cccc4F)CCCC3)n[nH]2)c1C 1611236350 OZJUVOHZWGHLJJ-UHFFFAOYSA-N 439.510 4.596 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCOC1 1611748006 GCTDGQMENZRZKY-IXFSTUDKSA-N 443.979 4.628 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1 1612804829 GODFOOKYBVDFKV-HXUWFJFHSA-N 432.572 4.557 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(SC)c1 1614118960 FTSTXTYMGSWAFA-YLJYHZDGSA-N 448.596 4.519 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2O[C@@H](CC)C(C)=O)S/C1=N/c1ccc(O)cc1 1614237046 KWVBJTKPAHIEAQ-UGBXZUBTSA-N 436.533 4.929 30 10 IJEE C=CC1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)CC1 1617417473 RVPXUOFYTYPJHW-UHFFFAOYSA-N 439.364 4.832 30 10 IJEE C=CCn1c(SCC(=O)N(Cc2ccoc2)C2CC2)nnc1-c1ccc(Cl)cc1 1617670222 ILBPZATWOYBJCC-UHFFFAOYSA-N 428.945 4.661 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCC[C@@H]1C 1619909574 CAYNPDWESJMPRL-ICSRJNTNSA-N 432.572 4.604 30 10 IJEE N#CCCN(CC1CC1)c1nnc(CSc2ccc(Cl)cc2)n1CC(F)(F)F 1620358689 BFFGOTXEWWGIDG-UHFFFAOYSA-N 429.899 4.916 30 10 IJEE C=CCC[C@H]1CCCN1CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1620642038 DHSODEMJQLEUMR-VWLOTQADSA-N 428.580 4.645 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 1622954849 WUTVIVAJMQCKND-GOSISDBHSA-N 448.363 4.842 30 10 IJEE Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1626115132 ANCCEVWEQCQEQC-UHFFFAOYSA-N 432.427 4.682 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)[C@H]3c4cc(Cl)cc(Cl)c4C[C@H]3O)cc21 1627746643 OINREBWLXQEAMS-UXHICEINSA-N 431.323 4.651 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 1629760279 OWJUCYBRXRLABQ-HXUWFJFHSA-N 438.524 4.544 30 10 IJEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 1632277693 BMYXTPNCCWSBBU-AREMUKBSSA-N 439.559 4.526 30 10 IJEE COc1cccc(CN(C)C(=O)c2cc(F)c(C#N)c(F)c2)c1OCc1ccccc1F 1633747079 HQOXFIRHLZNUMN-UHFFFAOYSA-N 440.421 4.835 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1CCCO1 1634530112 LUNHQYBVPAXXTL-UKILVPOCSA-N 440.499 4.642 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C 1634574516 HZBHUYWVKUPZLE-GOTSBHOMSA-N 431.536 4.551 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(Cl)cc1F 1636570820 OANAAGMLXVYVOT-WOJBJXKFSA-N 428.891 4.526 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4ccc(C)cc4)c3CCC)n[nH]2)c1C 1638549597 LKHGPGWNEMORAU-UHFFFAOYSA-N 443.555 4.775 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C 1646181463 FVVMMAGHMYIBTH-YJBOKZPZSA-N 438.490 4.505 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)cs2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540406 OTRAZYOERHIUTH-GFCCVEGCSA-N 446.619 4.909 30 10 IJEE C=CCn1c(SCC(=O)c2c[nH]c3ccc(F)cc23)nc2sc(C)c(C)c2c1=O 1652447946 XHBGOFZWZDEGDR-UHFFFAOYSA-N 427.526 4.856 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)C(C)(C)C)nc2sc(-c3ccccc3)cc2c1=O 1652569751 SNZWEFVPFMLQJK-KRWDZBQOSA-N 428.579 4.991 30 10 IJEE C=CCC1(CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)CCCC1 1655319326 ZSYVBINPJHGMIE-SFHVURJKSA-N 427.994 4.703 30 10 IJEE C=C(C)COc1cc(CN[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)ccc1OC 1656758677 BUSFLGUQVOGHSJ-PBASOCQRSA-N 430.589 4.916 30 10 IJEE COc1cccc(CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC(C)C)c1 1657080614 FEPORJVGRKXSSO-UHFFFAOYSA-N 448.567 4.723 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1662874741 WHBRXRBISJBABZ-UHFFFAOYSA-N 428.485 4.712 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(Cc3ccccc3)C[C@@H](O)c3ccccc3)cc21 1664933808 ZAZVPEPVTBEGQW-RUZDIDTESA-N 426.520 4.990 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1C(F)(F)F 1669465223 BDVSRYSPHFOTQM-OAQYLSRUSA-N 429.398 4.609 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)c1ccccc1 1671198916 IKCWSVZCCWJYMS-LJQANCHMSA-N 432.973 4.991 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C 1672209965 MGRPPCCDMCLCEH-INIZCTEOSA-N 427.339 4.502 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 1674014621 DMTKNBVEKKVCNE-LEWJYISDSA-N 443.563 4.759 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C 1676377703 CGWGYBVBMDQMGF-WOJBJXKFSA-N 427.570 4.636 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)C1 1676391257 FNIQALFFBWPICE-HNNXBMFYSA-N 447.992 4.500 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1681783176 FKTVYYPHMQZGEC-YDHSSHFGSA-N 435.515 4.813 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1 1683680775 HAJSKFSITIBWIS-JOCHJYFZSA-N 440.385 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CCC(OC)CC1 1689840002 QQHUWIJGWWYBEM-UQPPLGOBSA-N 449.368 4.510 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@](C)(CC)O1 1690006730 YPEAKONYBCHEQK-NNPDTBDGSA-N 436.625 4.552 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCN1CCCC 1690067184 UFACCIUBRJVSTJ-IBGZPJMESA-N 431.987 4.852 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1690227831 HZGBCOTWZXVJHP-QRQLOZEOSA-N 431.378 4.811 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccccc1C 1690249790 ANFJIGIDQGZANL-HOKHCIIBSA-N 431.584 4.751 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 1690441572 BBPUBDZWXAAJAC-REWPJTCUSA-N 433.604 4.660 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1690456554 HWHVIOKWPSSSFS-UHFFFAOYSA-N 435.532 4.556 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1690457037 PRPAEHYUHJMMLL-FQEVSTJZSA-N 448.615 4.550 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCSC2(CCOCC2)C1 1690472108 FATYQTFYTBIETR-SFHVURJKSA-N 446.592 4.626 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)c1ccco1 1690515900 WPDWGWFLSJFJKQ-UZUQRXQVSA-N 444.963 4.811 30 10 IJEE Cc1ccc(SCc2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCC[C@H](O)C2)cc1 1693161847 GRTUVMVRJTUYBK-SFTDATJTSA-N 439.629 4.560 30 10 IJEE COC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H](C)C#N)CCCCC1 1697226136 GVGLRWQNJNWVJK-MRXNPFEDSA-N 446.393 4.653 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1698402165 HOOUSFCCXMVWIU-TZIWHRDSSA-N 440.661 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC1CCCC1 1705503478 WZUIIENXVYYQCV-FQEVSTJZSA-N 438.616 4.962 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(F)F)C1 1705522178 XFNZNJUCRKYIPG-QGZVFWFLSA-N 434.556 4.864 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705527599 DFOWCBZAWMODMH-LJQANCHMSA-N 429.355 4.740 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(COC)CCC1 1705604270 JFQMBGQCBHUJRI-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705663859 FJLPAYAVTMJUIW-VXKWHMMOSA-N 438.641 4.857 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)CN(C)C 1705670544 YSPWELKGLAJCLJ-RUZDIDTESA-N 439.673 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](C)N1CCc2ccccc2C1 1705719093 LEAGGVBJBOLXQV-HXUWFJFHSA-N 435.641 4.780 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705757629 RUKHNFPKLDCANP-HXUWFJFHSA-N 432.996 4.608 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCC2(COC)CCC2)CC1 1705771735 CRTLMFMMTAOKBW-UHFFFAOYSA-N 442.629 4.942 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1705777490 CCKIQLNRXWYURP-UHFFFAOYSA-N 448.880 4.858 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1705813636 OKRCLKOVOHFBEJ-UHFFFAOYSA-N 432.012 4.884 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1705821343 SNCKJKWDYNTVFZ-OAQYLSRUSA-N 441.938 4.601 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 1705851109 UZURQHOSLJLSHY-KKSFZXQISA-N 428.964 4.743 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(c3ccccn3)CCC2)cc1C 1707531570 BFZLSFWTBVJQON-OAQYLSRUSA-N 444.583 4.729 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](OCC(C)C)C1 1722314771 CZPRXJSMRNWCOF-OAQYLSRUSA-N 433.556 4.655 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1C(C)C 1722456888 IKAQVBKHPXTYOY-SFHVURJKSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1nccs1 1722498303 VQHQKJMVUNLKMI-RUZDIDTESA-N 449.624 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCOC1 1722502815 QUCNWJAGGBLOSH-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1722524260 XGLFLAJHJAZPTK-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722527818 AWASDPCWGKDNGD-FGZHOGPDSA-N 426.605 4.664 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@](C)(O)C2CCCCC2)CC1 1722568249 FBDSCGXDMLRCQJ-SANMLTNESA-N 438.616 4.962 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1722619216 VISWBJQJKYTFIW-FQEVSTJZSA-N 437.613 4.620 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722680610 SMKFXTPHLMCOGJ-ZWKOTPCHSA-N 440.485 4.940 30 10 IJEE C=CCn1c(N(C)[C@@H](C)c2ccccc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722689552 VBDMDKNFWJUXOV-GBESFXJTSA-N 425.577 4.741 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccccc1OC 1722740470 OVTILWPMSUWROP-PZJWPPBQSA-N 428.602 4.789 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1724580543 HYHMEYWJLJWCKF-IBVKSMDESA-N 434.632 4.894 30 10 IJEE N#CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCCS2)CC1 1731184467 BDPMKASQZRDZRC-SFHVURJKSA-N 446.418 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1740533324 QLOFOGLUNOBOTO-NSHGMRRFSA-N 445.007 4.961 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCc1ncc(CC)s1 1740648199 DKWVEXZGDGEBKJ-QFIPXVFZSA-N 431.609 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@@H]1CCCCO1 1740751395 JRURTWCDCYWBIR-QPXUXIHVSA-N 438.616 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCC[C@H](C)C1 1740777042 KSKVAUBAXAVTGO-PMACEKPBSA-N 429.584 4.519 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCCC1 1740781482 KCBDKHHBXLDSPU-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@@H](C)C2)CC1 1740835529 GJTMOBCHMRKYGE-NVXWUHKLSA-N 432.410 4.885 30 10 IJEE C=CCCCCn1c(N(C)Cc2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740866433 DHPGEDIVKMYYBF-HDICACEKSA-N 429.565 4.635 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1c(C)coc1C 1740938593 JHECWERUFYJQHZ-UHFFFAOYSA-N 445.361 4.605 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnc(C)s1 1740938815 MTGIXQPBNWROHX-UHFFFAOYSA-N 425.602 4.695 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1740949065 CRHGZFDPUQJMEM-SFHVURJKSA-N 428.487 4.861 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)C[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1741005571 YZOJSRJSYIKVKC-AKHDSKFASA-N 449.665 4.593 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CC2)CC1 1745847512 AHLXZSGPBODSBQ-OAQYLSRUSA-N 437.588 4.704 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H](C)Cc2cccs2)c1 1748690546 USAHAHITHSDLQK-GOSISDBHSA-N 449.624 4.572 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccco1 1748751148 TYOPLYXZXGIRHC-RTBURBONSA-N 441.576 4.596 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C(C)C)N1CCCC1 1748907975 QAFFODYQWNHGBC-KNQAVFIVSA-N 444.023 4.651 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@H](SCC)C1 1749026974 KDCBBQXVPLSEKP-NRFANRHFSA-N 428.671 4.986 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1749225213 CEQVPRHBRSBAFN-PMOQBDJRSA-N 440.588 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1749369228 ZDHZKFVPPUPJQW-UHFFFAOYSA-N 444.023 4.695 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1749415000 LUMUJQPSINBHGO-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCc1cccc(C)n1 1749547295 NLJOOGSGCVDMFZ-HSZRJFAPSA-N 435.547 4.798 30 10 IJEE Cc1cc(-c2nnc(N(CCC#N)CC3CC3)n2CC(C)(C)CN(C)C)c2ccccc2n1 1751408415 ICWQZJRQSKJEKK-UHFFFAOYSA-N 445.615 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(F)(F)F 1760103233 BEDPEVJEUNLLOV-CYBMUJFWSA-N 429.284 4.816 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](CC)C1 1760158858 SOGVSDRABUBITH-QGZVFWFLSA-N 431.378 4.659 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCCCO1 1760212875 HUMYSWURFSDFSH-NRFANRHFSA-N 436.625 4.698 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1 1760276875 RZFLDSPBHJPPGO-MRXNPFEDSA-N 433.021 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(F)(F)Br 1760291352 LRMXCQVGUGYURS-MRXNPFEDSA-N 447.686 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)C1 1760318758 POPGTSVSUAZWTM-DOXZYTNZSA-N 449.368 4.674 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1760361959 XDJPSLSYPCRJFB-UXHICEINSA-N 428.552 4.605 30 10 IJEE C=C(Cn1c(N(CC)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1760364497 SCPFGKYLEGOXAB-BGYRXZFFSA-N 425.577 4.608 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760366518 BLEZSIWNAWZTKJ-VVWQDTPRSA-N 437.371 4.685 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760377737 LVNDWFCHDOUCDC-HXUWFJFHSA-N 444.004 4.931 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1760420969 AEVDLYMDQIPBRZ-IBGZPJMESA-N 425.577 4.507 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1760435044 VTKFGDBQRICVEB-NRFANRHFSA-N 436.991 4.670 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760443295 DVPMBPFBWFBTFQ-FQEVSTJZSA-N 441.645 4.586 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OC)n1Cc1cscc1C(F)(F)F 1760468603 ZXQLCQYYIBXBAW-UHFFFAOYSA-N 438.475 4.617 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCC[C@@H](O)C1 1760498150 GUKVPFGSMKDTNC-JTHBVZDNSA-N 434.584 4.887 30 10 IJEE COc1ccccc1[C@H](Cn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)OC(C)C 1770384717 FSDXYWDFMKTEJZ-QHCPKHFHSA-N 437.588 4.851 30 10 IJEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1cccs1 1771505978 BQUBGGYZCMHNKS-KRWDZBQOSA-N 435.597 4.860 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)SC1=Nc1ccncc1Cl 1772733940 BPDAPLLBFXNCMW-NUIIPWOLSA-N 445.928 4.551 30 10 IJEE Cc1nnc(N=C2S/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)s1 1772736162 HLSDQZUBBPXKHJ-ZRHYCJNMSA-N 429.527 4.691 30 10 IJEE Cc1ccccc1C[C@H]1SC(=NN=Cc2ccccc2OCc2ccccc2)NC1=O 1772741920 MBMZAWYTVIUDEY-HSZRJFAPSA-N 429.545 4.738 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(c3nc(O)c4cc(-c5ccccc5)ccc4n3)CC2)c1 1858551196 VIWUSPYNVPDBIJ-UHFFFAOYSA-N 449.514 4.729 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2O[C@@H](C)C(=O)OCCC)c1 1858737732 LKEHYSWYNDUQFN-KRWDZBQOSA-N 425.529 4.892 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3cc(=O)c4ccccc4o3)cc(C)c2c1 1859749919 AWCVDEZQZKAIQS-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)Nc1cccc(Br)c1 1860726590 VPNSFBGOHGHCHR-FNORWQNLSA-N 427.067 4.572 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860936727 UEGLLATXFJIJFC-NRFANRHFSA-N 444.595 4.992 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862445597 ZLSXIYPUQURLPM-HXUWFJFHSA-N 429.900 4.910 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 1862604572 FJGURRZDRMFMFD-XDHUDOTRSA-N 441.483 4.797 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc2ccccc12 1862609578 PVLNBHXDTPQNAH-FYSMJZIKSA-N 443.499 4.988 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862656131 WWJAWXWJTLVTAA-MZNJEOGPSA-N 445.515 4.588 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1ccc(F)cc1 1862674725 ROQDUWFGJGWZTF-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(OC)c1 1862723523 BPPYJKARJLAZER-DEOSSOPVSA-N 443.499 4.587 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863492267 DLYOXVMOIVZWFK-KRWDZBQOSA-N 432.483 4.993 30 10 IJEE CCCCCCCCCCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1866095359 XHAPTOVBBYBALC-UHFFFAOYSA-N 437.378 4.692 30 10 IJEE Cc1ccccc1-c1nc(Nc2ccc(C#N)cc2)cc(N2CCC(c3ncncn3)CC2)n1 1868311369 PUANJHMTJQLZTM-UHFFFAOYSA-N 448.534 4.636 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)c1ccc(C(F)(F)F)cc1 1870107905 FTKRVFWYGRVQGK-UHFFFAOYSA-N 440.212 4.776 30 10 IJEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870108406 FPTFNZCZUFTTPW-NRFANRHFSA-N 441.922 4.816 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1OC 1871374321 DLLYLDVWIVLXHK-BKUYFWCQSA-N 436.485 4.838 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3C2=O)c1 1871377530 OZFMNKHKKKRURU-LABNAMAPSA-N 443.411 4.838 30 10 IJEE Cc1cc(O)c(CN(CCO)Cc2ccccc2)c2c1C(=O)/C(=C/C=C/c1ccccc1)O2 1871393939 UDZLWHCZGLSWSP-DJNRAMKDSA-N 441.527 4.868 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)CC)S(=O)(=O)CC 1872124505 AKZRDTHFNLUUHR-LRDDRELGSA-N 440.915 4.550 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(C)(=O)=O 1872203366 BUOBBSGWDWWEGD-HSZRJFAPSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872370340 FINSLXGZRUZXBL-NRFANRHFSA-N 436.524 4.647 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872488365 LVJYQJMVIRSFKR-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cccs1 1872503986 FZHOVOHWOHDBDS-FQEVSTJZSA-N 434.627 4.985 30 10 IJEE COc1cc(OC)c(-c2csc([C@H](C#N)C(=O)COc3ccccc3)n2)cc1Cl 1872783227 UYBJMCWUSAMESJ-OAHLLOKOSA-N 428.897 4.736 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OC(C)C)=C(c2cccc(Br)c2)C1=O 1873228455 QGBGJIYLJONJSQ-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE N#Cc1cccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(C3CCCC3)C2=O)c1 1873338415 WEPHEPYTERXEEV-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N(CCO)CCCC)ncnc21 1873655110 OAAAGFJHHVMYSD-UHFFFAOYSA-N 435.572 4.592 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 1873935035 FCYBIMBHQXDUPA-MEMLXQNLSA-N 426.605 4.855 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874203502 FCXGDSYXRYDUJV-AWQFTUOYSA-N 438.296 4.676 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(OC)cc1 1874261828 URWAJYCNIFRIAV-BHGWPJFGSA-N 430.480 4.694 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874265188 ZYNVUYKEYHXZLF-CIAFOILYSA-N 431.905 4.803 30 10 IJEE OCCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874284558 NBVABEMGUSSUBV-OEAKJJBVSA-N 435.380 4.727 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874325314 JBVMALZRWGBHPL-UFFVCSGVSA-N 431.905 4.640 30 10 IJEE OCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874343650 AYGHCYFGSUXNMP-SSDVNMTOSA-N 441.771 4.796 30 10 IJEE Oc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1ccc(F)cc1 1874344705 BLGZXBKKRJLQQL-WGOQTCKBSA-N 448.523 4.919 30 10 IJEE Oc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 1874385755 GOVVGYVBOXCKOB-KOEQRZSOSA-N 430.533 4.780 30 10 IJEE C=CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCCCCC)c(OC)c1 1874449062 RRAPHSODRZYRQC-LKZQPVPRSA-N 430.574 4.868 30 10 IJEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(C)cc2)cc(OC)c1O 1874486516 WIXDBXHBYPRSEG-ZMOGYAJESA-N 440.569 4.682 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)c1 1874489699 GITBRRFGOOLHBK-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CCC)nnc1SCC(=O)Nc1ccccc1 1874504337 NEIDQBOQJXXVQD-LFVJCYFKSA-N 437.569 4.632 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(F)cc1F 1874512468 ZDGNGXUDUDQKHM-BHGWPJFGSA-N 429.496 4.601 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC)n1/N=C/c1ccc(Cl)cc1Cl 1874527573 VGUHLEKJFJHIFN-WSDLNYQXSA-N 442.416 4.770 30 10 IJEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3ccc(OC)cc3)cccc2OC)o1 1874576108 WZFDYLBRNAYLPD-GXDHUFHOSA-N 436.460 4.949 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1nccs1 1874608629 YRHIMOLYTNRJOH-SOFGYWHQSA-N 428.897 4.719 30 10 IJEE Cc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c(Br)c2)ccc1F 1875141668 PAVTVBIZECTZLK-QHHAFSJGSA-N 441.256 4.802 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1Cc1ccco1 1875237726 MTIDSMFPYYGAFJ-UHFFFAOYSA-N 434.540 4.689 30 10 IJEE C#CC[C@@H](C[C@@H](NC)c1cc(I)ccc1Br)C1CC1 1887489052 LHVRXTWZCOTQHB-BLLLJJGKSA-N 432.143 4.754 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@]2(C)C1 2052773463 DJCMYWBGIYDPIB-USCONSEESA-N 448.568 4.853 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](O)Cc2cc(Br)ccc2Cl)C1 2063052501 XWXQEUPZPDXWTJ-INIZCTEOSA-N 430.770 4.867 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)c(O)c1 2079046876 FUOADUNWWFSTRE-OAHLLOKOSA-N 443.235 4.701 30 10 IJEE COc1ccc(Br)c(-c2cc(N)n3nc(C4CCCCC4)c(C#N)c3n2)c1 2081198176 MONRWBNINVDNIU-UHFFFAOYSA-N 426.318 4.669 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(c2cc(Br)ccc2C#N)CC1 2174767461 KGEUTIBSJBYABY-OAHLLOKOSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC1CC1)c1ccc(Br)cc1C#N 2174811950 FFAPLPILVGYUPK-GOSISDBHSA-N 434.378 4.937 30 10 IJEE C#CCN(CC(F)(F)F)C(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 2180085764 HGWNYEWOJZUFHZ-UHFFFAOYSA-N 425.234 4.978 30 10 IJEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(Br)c(C#N)c1 2180927661 QSZOFUPQVDBHNF-CQSZACIVSA-N 438.366 4.836 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cc(Br)ccc2Cl)CC1 2201803562 UBDKLPUFFIRTPC-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(C#N)c(Br)c3F)C[C@H]2C1 2206330389 PJBFXSAKLIYCLM-RBSFLKMASA-N 438.341 4.589 30 10 IJEE C=CC1CC(O)(C(=O)c2sc(Br)c(Br)c2Br)C1 2216400557 ICJHMQAABRCJHI-UHFFFAOYSA-N 444.970 4.545 30 10 IJEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2220069037 XIXPISDKUOTUHH-YADHBBJMSA-N 441.446 4.863 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC(F)(F)C[C@H]2CC#N)ccc1Br 2233993521 ALIMOARAIWPUSQ-GFCCVEGCSA-N 444.276 4.560 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](O)C#Cc1ccccc1Cl 2245955208 ASLXGZVROSRNDM-LEWJYISDSA-N 429.944 4.553 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(C(=O)N(Cc3ccccc3)CC(F)F)c2)OC1(C)C 2247778429 BUYOQOCRAMACIB-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE C=CC[C@]1(COc2nc(C)c(N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2287839591 FYYBXXJBIMUBMJ-HXUWFJFHSA-N 440.382 4.849 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296144545 DYSJNXVMRZVDAJ-MJGOQNOKSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C#Cc2ccc(Br)cc2)C(F)(F)CC1 2296287711 ZIHPWBJKOIKRMC-LJQANCHMSA-N 444.316 4.588 30 10 IJEE COCCc1nnc(S)n1N=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2321911750 PJAGTTVBXYPUMC-UHFFFAOYSA-N 437.352 4.524 30 10 IJEE COc1cc(C=Nn2c(S)nnc2COc2ccc(Cl)c(C)c2)ccc1OC(C)C 2322211754 VIYAIMVWIGEVQZ-UHFFFAOYSA-N 446.960 4.786 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C[C@@H](O)c3ccc(Cl)cc3)CO4)C2=O)o1 2322234299 OKWJPGMVHSJUAC-HXUWFJFHSA-N 437.879 4.743 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCO3)c1 2322687911 XUEXCIIXRYGYBG-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=C2Oc3cc(OCCOc4ccccc4)ccc3C2=O)c(OC)c1OC 2324220049 GLHQXIJZOMPOKM-UHFFFAOYSA-N 448.471 4.786 30 10 IJEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OC(C)=O 2324652213 LQTXPIDOBAUFFK-SFHVURJKSA-N 436.464 4.773 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325198417 HQDJXCPXCABOMS-UHFFFAOYSA-N 438.480 4.547 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325330621 YEAINNOQAARMRR-GOSISDBHSA-N 444.483 4.927 30 10 IJEE Cc1cc(NC(=O)C(=O)C=Cc2ccc(Br)cc2F)ccc1Br 2325702891 KFMHZNMRZWNQLS-UHFFFAOYSA-N 441.094 4.880 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)c1 2325703505 ORYCMQRGSVKPFQ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOc1ccc(C=Nn2c(COc3c(C)ccc(C)c3C)nnc2SC)cc1OC 2327233307 LBMKXGVSIQBFSM-UHFFFAOYSA-N 440.569 4.794 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)c1 2327460036 MQYCWBIIYDFVNC-UHFFFAOYSA-N 425.464 4.638 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@H]2CNCC[C@@H]2NC(=O)c2c(F)cccc2Cl)cc1 2328106509 JJKXVBHCRFROAZ-RXVVDRJESA-N 428.935 4.593 30 10 IJEE C=CCSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1cc(Cl)ccc1O 2328568650 CAMGSJCYTWVFSO-UHFFFAOYSA-N 428.945 4.787 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccccc1F 2330805404 HQNCMNDFHAZTAP-UHFFFAOYSA-N 445.589 4.989 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 2330994387 SPANQNHGJGARNT-GOSISDBHSA-N 443.916 4.866 30 10 IJEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)cc1OC 2331138456 QVVVZGOLMGIAFJ-UHFFFAOYSA-N 436.459 4.531 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCO)nnc2C(C)(C)C)cc1OCC 2331414564 PVGYYFBAFRSGDS-UHFFFAOYSA-N 434.606 4.510 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2339542709 GFCSSHIIHFAWGW-ZRZAMGCNSA-N 431.389 4.579 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cc(Cl)c(Br)cc2F)n1 2362095151 YJBCWLCQRPNTLK-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC2CC2)c1 2362762525 FJSYNORIOLLMCM-OALUTQOASA-N 437.378 4.558 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364786080 KOYLFVXJWAMOIO-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE Cc1cc(CNCC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369694640 SRCKYELXSYBOLH-WIOPSUGQSA-N 448.460 4.542 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 2459093 JMYQJSLOTYTSRC-HXUWFJFHSA-N 429.900 4.679 30 10 IJEE C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nc2ccccc2c1=O 10093119 QCPHLADBNVFOFG-GOSISDBHSA-N 433.577 4.502 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10333414 NITKSDODOUIORO-UHFFFAOYSA-N 432.545 5.000 30 10 IJEE CCc1cccc(N/C(=N/C(=O)c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1 32946333 HGHSFOAFWXBPGN-UHFFFAOYSA-N 430.527 4.819 30 10 IJEE COc1ccc(/C=N\N=C2\S/C(=C\c3ccccc3OC)C(=O)N2Cc2ccco2)cc1 47137591 ANYXNCIZDGYOGM-QXZAMSPYSA-N 447.516 4.803 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc3nc(SCC)sc3c2)nnc1C1CC1 59911509 KKNWNPRIXNVCJY-UHFFFAOYSA-N 431.612 4.794 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccc(C#N)cc2)CC1 95083518 WVEWGVAQOZKRDN-UHFFFAOYSA-N 431.540 4.768 30 10 IJEE CCOC(=O)c1c(NC(=O)CSCc2cccc(C#N)c2)sc2c1CC[C@@H](C)C2 96549414 WBAVXBMCLCYPQO-CQSZACIVSA-N 428.579 4.793 30 10 IJEE CCN(CC)c1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)cc1 98036684 QKSGMPBKCRYXNI-FOIQADDNSA-N 434.565 4.981 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 103229734 GNTVPVSPQKKLNQ-MYXKAAJQSA-N 442.515 4.799 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC(C)C)cc1 169928078 OYTRSJBIQNKIIP-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3cc(F)ccc3[nH]2)[C@H]1c1ccccc1 170056518 MANCJZXYVHTVEJ-QHCPKHFHSA-N 441.462 4.804 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2F)s1 170071579 CTWRSQAMIXXPEM-LJQANCHMSA-N 433.464 4.554 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccc(O)c2)c1 170079021 XBLOTVSERMGUQA-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1cccc(OC)c1 170120305 MKOUEVHWRGTGAI-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2O)c1 170141463 UNNGOBZETOBTJB-UPCLLVRISA-N 441.483 4.807 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)c1 170173441 FQLKFRLZIVTGRW-NRFANRHFSA-N 434.879 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)c(OC)c1 170259485 SPUCYKQCMSCGPF-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)N(C)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 170268599 LVGJQGDRANFPOY-XMMPIXPASA-N 446.547 4.599 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 170446422 MRBKDGDGXMLBBE-QFIPXVFZSA-N 436.552 4.662 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(OC(C)C)cc1 170473521 DVURXAVOIJXODA-QHCPKHFHSA-N 437.492 4.718 30 10 IJEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3cccs3)nc2cc1C 170477524 MMVVRKQRIMPHNR-KRWDZBQOSA-N 428.535 4.800 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2 409896408 PLWNQAHZQBBXSX-UHFFFAOYSA-N 434.471 4.545 30 10 IJEE C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 431243144 RRNJDPMMQNUYBD-JOCHJYFZSA-N 441.560 4.635 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 435352859 CFSNXJFXOSTJSF-MAUKXSAKSA-N 437.487 4.843 30 10 IJEE CSc1nc(O)c(C(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)cc1C#N 440400066 UUKJFKJPQOIINV-UHFFFAOYSA-N 439.459 4.507 30 10 IJEE Cc1cc(C)nc(-n2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc2C)n1 479662338 FKBZMROIQRDGNQ-UHFFFAOYSA-N 438.491 4.812 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](c2cccs2)C1 508811456 SBRUJDNXDPWPFD-MRXNPFEDSA-N 449.349 4.672 30 10 IJEE COc1ccc(OC)c([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526523665 ZZZFEXAMBPQRKJ-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE Cc1ccc(SC2=C(N3CCc4ccccc43)C(=O)N(c3ccccc3C#N)C2=O)cc1 526686709 WUHUHBQCJKVGHB-UHFFFAOYSA-N 437.524 4.807 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C(=O)OC(C)C)o2)cc1 526831285 KVIZQZMSOUEISP-QRVIBDJDSA-N 442.541 4.572 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@H](c2ccc(F)c(Br)c2)C1 549698252 HJWYDMOBLIQLSY-SFHVURJKSA-N 447.308 4.594 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](OC(F)F)C1 558454443 HIZZJRKSKVTOHK-HOCLYGCPSA-N 426.895 4.692 30 10 IJEE C[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12)c1ccc(C#N)cc1 574298311 VUYOJULQWQUTSD-AFMDSPMNSA-N 433.511 4.794 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N(CC)CCCC)C2)c1 585963523 CMJISTLHJVEKLT-QFIPXVFZSA-N 428.621 4.960 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)CCCCc1ccc(I)cc1 609020441 UJJGQDHZUNNCTI-UHFFFAOYSA-N 425.232 4.581 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 698373666 LXCHLJRTXQXGFN-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE O=C(/C=C\C1=Cc2cc(Br)ccc2OC1)c1ccc(C(F)(F)F)nc1O 731564409 DJUTXFBBCJYLBU-RJRFIUFISA-N 426.188 4.783 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1F 733200095 AMFNACJACBCIPZ-HXUWFJFHSA-N 441.503 4.565 30 10 IJEE C#CCCN1CCC(NC(=O)c2sc3cc(Br)ccc3c2Cl)CC1 743493002 DORIPWPDEXRKCY-UHFFFAOYSA-N 425.779 4.535 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1=S 760408153 OHRGPCJANYPTRM-KRWDZBQOSA-N 446.592 4.807 30 10 IJEE CCCc1cc[n+](/C(C(=S)NCCc2cccs2)=C(/O)c2ccc(C#N)cc2)cc1 762441085 VHIVWJUFSBTMMB-UHFFFAOYSA-O 434.610 4.903 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 806480621 ROVBQSVBSXXXHW-UHFFFAOYSA-N 429.486 4.515 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1126236599 YISSIAKEISIDSM-TYPHKJRUSA-N 428.573 4.826 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1128664808 YVOHEOFJBTVIHZ-MRXNPFEDSA-N 435.351 4.966 30 10 IJEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)COc1ccc(Cl)cc1C1CCCCC1 1130952132 GLAMVWCUBLUAKZ-UHFFFAOYSA-N 449.942 4.917 30 10 IJEE CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1 1133412234 HYGGFCZAPRDAHM-OAQYLSRUSA-N 438.959 4.595 30 10 IJEE COC(=O)[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1ccc(C(F)(F)F)cc1 1134501749 DKGYVAXXPGWSJY-QGZVFWFLSA-N 432.423 4.744 30 10 IJEE CN(C)c1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ncc1Br 1158202647 FZQPHNBWNJYGGI-UHFFFAOYSA-N 436.313 4.778 30 10 IJEE C#Cc1ccc(S(=O)(=O)N2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)cc1 1193859309 HSJPXKNBXRCDNN-HXUWFJFHSA-N 425.447 4.612 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 1211171408 FCJXSFYQHWFPRY-UHFFFAOYSA-N 430.888 4.664 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1214911737 DVLWEBGYIPOATL-UHFFFAOYSA-N 432.446 4.718 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C)c1ccc(Cl)cc1F 1229619336 FPVSKAKKRNUZDX-XZOQPEGZSA-N 429.967 4.954 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Br)cc1Cl 1264281047 QNKAQUGICXPOJF-UHFFFAOYSA-N 439.689 4.845 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H]1CCO[C@H](C)C1 1286279106 SPKFQOIINXDCKY-RDGPPVDQSA-N 430.980 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCCN1CCCCC1 1286291147 VZPNMARKVBQUQY-OAQYLSRUSA-N 446.599 4.714 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1286314415 CHLVDDOPDUOLPK-OAQYLSRUSA-N 444.526 4.745 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1C[C@H](C)O[C@@H](C)C1 1286363314 QFJYSLPWNSYQMV-IRXDYDNUSA-N 435.597 4.650 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1CC2(CCOCC2)C1 1286366682 BGVRMBPXLCXUHA-UHFFFAOYSA-N 436.600 4.646 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H](SC)C(C)(C)C 1286423686 MQEDHGCEFXZEQX-NRFANRHFSA-N 431.609 4.734 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1sc(C)nc1C 1286458462 VHZQZKYBLSXLRP-UHFFFAOYSA-N 425.577 4.767 30 10 IJEE C=C(Br)Cn1c(N(CCC#N)CC2CC2)nnc1C1(c2ccccc2)CCC1 1286547197 JRSFONVXSBLXOM-UHFFFAOYSA-N 440.389 4.787 30 10 IJEE C=C(Br)Cn1c(N(CC)C[C@@H]2CCCO2)nnc1C1(c2ccccc2)CCC1 1286547444 MMCUPNFYPQNZGB-IBGZPJMESA-N 445.405 4.662 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286589945 MGESUYUWEYEEHO-MRXNPFEDSA-N 431.968 4.620 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1286614111 LFZOJLMHHXFVJD-KDURUIRLSA-N 432.659 4.802 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1[C@H]1C[C@H](c2ccccc2F)C1 1286681980 ZINPBPHAZZGWPT-MXVIHJGJSA-N 439.579 4.955 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1286691470 IFAGYNLKFYTWLO-UHFFFAOYSA-N 448.036 4.639 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C1CCCCC1 1286699886 BJNFLHYUWRUMLR-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C)CC1 1286708619 RHBRNXZTTLVKHP-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCS[C@H](C)C1)C(C)C 1286750919 JQEFOVXLGQDWHS-IFMALSPDSA-N 425.646 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@@H](F)C2)C1 1286802307 ABTVVWOYRLZYLN-ATZDWAIDSA-N 449.368 4.627 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(F)(F)C1 1286827651 VYWVBYZBXKFVIM-UHFFFAOYSA-N 438.544 4.506 30 10 IJEE CC(C)C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1287338242 CZIBWNZRZFSDSW-BVAGGSTKSA-N 436.648 4.560 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCOC[C@@H]2C)cc1 1287629738 DSNVTXBTHNYORY-TUNNFDKTSA-N 439.604 4.781 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Nc4ccccc4)c3)CC2=O)cc1Cl 1292977278 HQEODSLIVGGOOQ-QGZVFWFLSA-N 430.895 4.947 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1SCCc2ccccc21 1300328014 GUHXBPNKABSORZ-HLRQEUIKSA-N 438.641 4.685 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1300618202 AFUFUAIKZBVZKG-SFTDATJTSA-N 432.616 4.644 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1300740743 CGVNXEBQNSHFCH-INIZCTEOSA-N 447.446 4.946 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1300755607 YMIXXPPAPMILKI-MRXNPFEDSA-N 447.530 4.582 30 10 IJEE 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C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@H]1C 1540021826 YYMGMGJVDSFVJV-ZWKOTPCHSA-N 448.995 4.668 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1C 1540147484 MVHUYDSTNITSKB-UHFFFAOYSA-N 432.597 4.751 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCc1c(C)noc1C 1540158924 SUVQMLREDMFCKZ-UHFFFAOYSA-N 442.361 4.734 30 10 IJEE CN(C)[C@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)Cc1ccccc1 1540449068 GHAZSXRTHCIYDI-FQEVSTJZSA-N 433.939 4.907 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1540911562 VMDFSOOZZZQUFY-IBGZPJMESA-N 433.021 4.771 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCc2sccc2[C@H]1CC 1540919287 MJBMTDBIMQKOFZ-LJQANCHMSA-N 425.627 4.758 30 10 IJEE CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1541404690 FETKWFLOVPOKLA-NFBKMPQASA-N 442.007 4.713 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC#N)CC1)OC 1545797825 AJHLSPJPSPKSFD-HSZRJFAPSA-N 434.588 4.788 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1c(C)nc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 1546025734 QUUPMZKLHQAWKH-LJQANCHMSA-N 429.442 4.547 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(C)(C)C#N 1556747461 PJEUJPRMHCSLNV-DEOSSOPVSA-N 445.563 4.868 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 1559325009 QPLBYTWNJBUVDQ-QGZVFWFLSA-N 434.439 4.608 30 10 IJEE C#CCC1(NCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)CCCCC1 1560170750 KYZZWHVWNOVGEG-RUZDIDTESA-N 429.564 4.689 30 10 IJEE C=C(C)COCCNCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1560392925 FSUCDTAZAVDVIF-UHFFFAOYSA-N 426.358 4.984 30 10 IJEE CC[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)N1CCc2ccccc2C1 1562278090 GPWUARVXINZXHN-QHCPKHFHSA-N 441.535 4.704 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1563429089 HCHVHGKLAQCDGG-PGRDOPGGSA-N 442.028 4.946 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 1563702584 ACGZVRBBYFFCFT-YLJYHZDGSA-N 435.406 4.931 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCCC[C@@H]2Cc2ccccc2Br)cc1 1564798133 DFLXFBLPBLHWJU-HXUWFJFHSA-N 441.369 4.768 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1565803573 LQDKBDBKILRXGA-WWNPGLIZSA-N 443.632 4.748 30 10 IJEE COc1ccc([C@@H](CO)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 1570199242 BMNTUPMUDREWCY-LJQANCHMSA-N 436.895 4.518 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F 1570419371 BIPWOGDWZQNBSH-SFTDATJTSA-N 441.478 4.596 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCSC 1586439724 LAUMPDKEQQXJPI-HSZRJFAPSA-N 438.593 4.729 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncc(CC)s1 1587799069 YUFBZLUGRFCJQB-UYAOXDASSA-N 429.634 4.656 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)C1 1587997964 LZJXIGWGXSSVSL-ZDUSSCGKSA-N 429.303 4.832 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)c1ccsc1 1589663725 PPACZGBLNICSJR-JOCHJYFZSA-N 432.540 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2ccco2)C1 1594522203 ZEALXVGHOBJDNG-QFIPXVFZSA-N 436.556 4.939 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(O)(C(F)(F)F)CC1 1594582380 PKCFGAVYWOXEDU-UHFFFAOYSA-N 434.462 4.941 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cc(C)oc1C 1595108703 IHJSNDASJPYUAB-RUZDIDTESA-N 431.540 4.583 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(C)CCCS2)C1 1595744350 LKFKQSNNWVDLMP-GBXCKJPGSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1595860168 JJBIIUVFUIGPBV-GDBMZVCRSA-N 426.508 4.508 30 10 IJEE Cc1nc(CCn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)cs1 1612423601 HROFCJSGYRIPIZ-XMMPIXPASA-N 434.613 4.591 30 10 IJEE CCS[C@H](C)C[C@H]1CC(=O)/C(=C/Nc2ccc(Cl)cc2Cl)C(=O)[C@@H]1C(=O)OC 1614297236 KGOWJVJUFBNYEV-UGYUERNYSA-N 444.380 4.768 30 10 IJEE C#CC(C)(C)N(C)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)cc1 1617175543 DVKOBDGDJZLNJD-SANMLTNESA-N 439.559 4.870 30 10 IJEE C=CCOC[C@@H](NC(=O)c1cc(-c2ccc([C@@H](C)CC)cc2)nc2ccccc12)C(=O)OC 1617951533 WAMFVBQCGHKFKS-AVRWGWEMSA-N 446.547 4.889 30 10 IJEE C#CCCOc1ccc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)cc1 1626068291 LYVCGSUOAGHTBI-UHFFFAOYSA-N 448.469 4.648 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCN(c2ccccc2C#N)CC1 1627980320 LWWZFZXTOXRFCX-BMRADRMJSA-N 429.442 4.599 30 10 IJEE N#Cc1cc(Cl)c(C(=O)NCc2nc3cc(Br)ccc3o2)c(Cl)c1 1629064462 FSGBEQOLTNVLEB-UHFFFAOYSA-N 425.069 4.699 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(F)cc1Br)c1ccc(Cl)cc1F 1636572111 XZQBJTPOIVHQPT-KRWDZBQOSA-N 427.676 4.897 30 10 IJEE CCCc1c(NC(=O)c2c(C)n(C)c3ccc(OC)cc23)cnn1-c1cccc(C#N)c1 1638918578 GGUDBKQGITZXCO-UHFFFAOYSA-N 427.508 4.758 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C 1640460205 VJSXVYDIYKYXIZ-JOCHJYFZSA-N 440.540 4.559 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)cc2)cc1 1641927053 OGVYABFWPLDHNQ-UHFFFAOYSA-N 425.488 4.968 30 10 IJEE C=CCCC[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)c1ccccc1 1643661011 IDDQCUNHGXEAIV-OAQYLSRUSA-N 435.549 4.857 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O 1645353166 BLFJCKUFCIPJTG-OPAMFIHVSA-N 438.524 4.526 30 10 IJEE C=CCOc1c(Br)cc(CNCCOc2ccc(Cl)cc2)cc1OC 1648714013 ZBTHYORJAVTPKU-UHFFFAOYSA-N 426.738 4.845 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(c3ccccc3)CCCO2)cc1OC 1651601339 MKHDRNICXXEGRS-JOCHJYFZSA-N 432.358 4.818 30 10 IJEE C=C(C)CCSc1nc(C[C@@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1651765389 FWKJSMHWUYWMCD-ULQDDVLXSA-N 428.602 4.585 30 10 IJEE CC(C)(C)[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1652883025 CPTMYGHIBAVTOK-VLCRHTCISA-N 440.632 4.551 30 10 IJEE CC[C@@H](c1ccccc1)N(CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1657118906 GWPCIGTVQADRMH-URXFXBBRSA-N 448.611 4.829 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(CC/C=C/c2ccc(Br)cc2)CC1 1658215262 GEQSWQVRIFWCNC-WHLCUDGSSA-N 428.349 4.874 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br 1659649616 UQRCYCBGQHVMEV-CVEARBPZSA-N 447.598 4.680 30 10 IJEE C#CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 1661883123 LUVOPRCACZLVPT-UHFFFAOYSA-N 440.362 4.940 30 10 IJEE C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 1664710405 KEKAJXGSXSNSJQ-OAHLLOKOSA-N 438.318 4.557 30 10 IJEE N#CC[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)C1 1669140939 AQVHMGMCTGCJQK-GFCCVEGCSA-N 430.306 4.534 30 10 IJEE C=CCCC1(CNC(=O)N2CCCCC[C@@H]2c2noc(-c3cnn(C)c3)n2)CCCC1 1674373009 WFTKVKZUROMEGF-LJQANCHMSA-N 426.565 4.623 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccc(OC)cc2)cc1C#N 1675656464 BVHODYKNEBXDHN-HXUWFJFHSA-N 436.512 4.764 30 10 IJEE C#CCN(C(=O)NCc1ccccc1CC)[C@@H]1CCOc2ccc(Br)cc21 1677927606 BSTWQNACZURQPG-HXUWFJFHSA-N 427.342 4.680 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1ccccc1)C(C)(C)CO 1678355821 FWQSYOBZGXFPCU-IBGZPJMESA-N 433.346 4.895 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 1679595137 KRFZLFPOYMVBRZ-PGRDOPGGSA-N 448.535 4.598 30 10 IJEE C#CCN(C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1683532806 HSHXPBVKDQYSAJ-QHCPKHFHSA-N 439.600 4.746 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 1686067216 RILCIRDIKQYOIT-UHFFFAOYSA-N 433.394 4.726 30 10 IJEE C=CCC1(CNC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCCC1 1686451771 UCOBMQWYTYOTFC-LJQANCHMSA-N 427.593 4.564 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccnc(SC)c1 1689841307 DLDMFNRHGSASDS-IBGZPJMESA-N 449.624 4.993 30 10 IJEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1689971173 QKSPSADXHOTORI-DENIHFKCSA-N 433.600 4.649 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@H]1C(=C)C 1690083962 RPCZLJLEHSKUSD-BWKNWUBXSA-N 436.600 4.730 30 10 IJEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1690290581 QAJSXXBJAAKGFN-KRWDZBQOSA-N 435.601 4.617 30 10 IJEE C=C(Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1)c1ccccc1 1690325724 GGZVKWBSRWQYFD-NRFANRHFSA-N 435.572 4.830 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1C[C@H]1CF 1690574120 PGFZKSFFJOWOKA-BLLLJJGKSA-N 436.354 4.820 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1nc(C(C)C)cs1 1690615819 TVPMMGIMCSKRCF-UHFFFAOYSA-N 431.993 4.866 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1690736907 SBWNCNGGHBGEAR-BETUJISGSA-N 439.448 4.781 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC[C@H]1CCc2ccccc21 1692346559 IBSPDRBTRHGJDK-OAQYLSRUSA-N 431.588 4.565 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOCC(=C)C 1705477574 PUAWXLVSLHKCDX-RTBURBONSA-N 430.980 4.739 30 10 IJEE C#CCCCCn1c(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1C(C)(C)C 1705521478 CMGNYIMTXPTINE-LJQANCHMSA-N 434.506 4.976 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2sccc2C1 1705530996 UZZBJOVRSXWXEW-UHFFFAOYSA-N 436.581 4.779 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1nc2cc(Cl)ccc2s1 1705717302 HGKZRAQYOISNIV-HNNXBMFYSA-N 431.993 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CC1(N2CCSCC2)CCCC1 1705719418 YNRYWXZCLNKLDT-UHFFFAOYSA-N 431.694 4.775 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C)[C@H]1C)c1ccccc1 1705743965 MUVHZAXUVSDJKX-SJORKVTESA-N 425.627 4.677 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNc2ccccn2)CC1 1705765664 WMPPIZOWPVZUID-UHFFFAOYSA-N 438.963 4.661 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1705792470 UIVNJRKNEYZCFX-XPWALMASSA-N 443.680 4.865 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1705796890 MGELWQYBWXRXAR-QGZVFWFLSA-N 441.366 4.994 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1705807623 JJSUIPDWUWUSQP-UHFFFAOYSA-N 447.427 4.941 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccnc(OC(F)F)c1 1705836809 GUVRDMVDFDHKDG-CQSZACIVSA-N 445.539 4.798 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C2CC2)CCC1 1705838208 GQZJNNAACPTXOO-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1705851492 IUNLQBLWLOTDBP-GFCCVEGCSA-N 445.365 4.599 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@](C)(O)c1cccs1 1705856108 GDZDTWOYRNLLPG-HSZRJFAPSA-N 426.586 4.572 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1Cc1c(CC)nn(C)c1CC 1705862694 SIAWOBWONUFEKC-UHFFFAOYSA-N 436.579 4.784 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@@H](C)C1 1705866562 UBWGDHSUQZFACX-ZJOUEHCJSA-N 430.618 4.979 30 10 IJEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(CC)(CC)SC)C1 1709307808 BLRAYEALDTYLLE-SFHVURJKSA-N 427.618 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)N(CC)CC 1722281744 VPLNKCJNEONVRG-QZTJIDSGSA-N 436.629 4.565 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1722283197 DNJFKLCHKSXTAL-SGXKBVARSA-N 445.405 4.822 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCc2ccccc21 1722340501 ALAXNAAGVVXRFH-YADHBBJMSA-N 449.599 4.887 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1722467011 KHZCBAGLBWOWMK-RLIDHQHUSA-N 425.646 4.928 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)C)C1 1722488694 BYDJJQRHCPJEAF-HNNXBMFYSA-N 439.785 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1722491099 HNSOTEYRJBXFPV-IGABQKFOSA-N 438.616 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1722546089 GHUXDHMPMZYTCL-OLZOCXBDSA-N 427.799 4.790 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](CC)C1 1722553688 FDSKYUOFOUMFGH-AWEZNQCLSA-N 425.758 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1722587686 XFEAWCNRWXZRMR-JOCHJYFZSA-N 430.600 4.653 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1722594263 IKFUAKLHYGSJQR-FQEVSTJZSA-N 433.522 4.590 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(O)CCCCCC1 1726514029 IECYQTGRXPZHOW-MSOLQXFVSA-N 441.645 4.955 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1731028181 HCBCXOZQWOGIGR-OAQYLSRUSA-N 434.009 4.782 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1740536036 YNWBZUSYABBMFV-XUZZJYLKSA-N 442.611 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCCN1CCCC1 1740541874 JJOQAJNVVTXLJB-KRWDZBQOSA-N 434.415 4.976 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(c2ccnn2C)CC1 1740581818 FJCRBJGAYWASGQ-UHFFFAOYSA-N 430.600 4.774 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC[C@@H](F)C1 1740673054 FLFQKNJFBBQIOX-UYAOXDASSA-N 432.971 4.849 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@H](SC)C1 1740721631 ORMMJSOCXZGFRA-NRFANRHFSA-N 444.670 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nccnc1C 1740728050 KKFSJACPUDAUOJ-JOCHJYFZSA-N 441.366 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1740732937 VTPLZIGOZBMBBW-WZOHSFFVSA-N 440.035 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)CCC 1740758439 XQNOCBJMFKOQDO-HFMPRLQTSA-N 448.615 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nnc(C)s1 1740769295 JWRCKKOOLLYSIO-CQSZACIVSA-N 428.631 4.742 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCNC(C)=O)Cc1ccsc1 1740780477 WZINIEUAYGLEMQ-UHFFFAOYSA-N 447.967 4.518 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740852420 NFRLQKUEMICVKH-NTKDMRAZSA-N 428.577 4.508 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1740874644 FMEZMDAVHJFNCZ-UHFFFAOYSA-N 447.631 4.655 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740914484 GEAPLHZYNBFJGF-JYFHCDHNSA-N 442.567 4.752 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCO[C@@H]1C(C)C 1740918024 JEWJHIYDTOTJNL-RCZVLFRGSA-N 431.584 4.518 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@@H]1CCO[C@@H](C)C1 1740939578 ZCXYNQUZAZABIG-LEWJYISDSA-N 449.599 4.646 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1741771325 FWVYRRYMJDMAQB-CEXWTWQISA-N 433.478 4.581 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CCSC 1744872435 FVFVLAQNUBLHTF-DENIHFKCSA-N 440.661 4.659 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccsc1Br 1748653883 CXFAKFDQLHGLHR-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1748738468 DVMWGGVOVKWXRL-GOSISDBHSA-N 430.980 4.804 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](CC(C)C)N(C)C 1748915400 YAWOXVHNUSZGCL-FQEVSTJZSA-N 427.662 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCCN1C[C@@H](C)C[C@H](C)C1 1749061449 VSVRANZKPKTERU-ZYLNGJIFSA-N 440.035 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCn1ccnc1C 1749171329 UTKASEPMZAFVNW-UHFFFAOYSA-N 449.386 4.771 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccoc1C 1749213589 OJECLDXQTMOMOZ-UHFFFAOYSA-N 431.540 4.932 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NCCC)CC1 1749347800 UCFIXHNVZGSQJI-UHFFFAOYSA-N 448.036 4.543 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C(F)(F)F)cs1 1749566118 WSLMPFJYYXUTKX-UHFFFAOYSA-N 440.882 4.696 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CCSC2)C1 1749747023 SKRDGXWABXWVJD-FQEVSTJZSA-N 439.025 4.990 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1cn2ccccc2n1 1760103724 KYIVZCAVIAZIMM-LJQANCHMSA-N 426.568 4.591 30 10 IJEE C#CCSCCn1c(N2CCC(Nc3ccccc3Cl)CC2)nnc1C(C)(C)C 1760286744 UERXIHUOBGTGSJ-UHFFFAOYSA-N 432.037 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC1(CCOCC)CCC1 1760297960 PPDHJYYQKOFAQY-XMMPIXPASA-N 440.563 4.585 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCCS2)CC1 1760382273 MZJJBNYLURGYDL-NQIIRXRSSA-N 428.602 4.869 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1760444206 ZYCFUMSYJHATNL-UHFFFAOYSA-N 440.979 4.823 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)c1ccco1 1760455013 YQDHABZVAZCHEG-OAQYLSRUSA-N 428.945 4.936 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1csc(CC)n1 1760458331 XZRRBTLHMJKNMO-UHFFFAOYSA-N 432.391 4.705 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1C[C@H](C)O[C@@H](C)C1 1760458392 FIHUEMFTHHVKIG-OALUTQOASA-N 436.556 4.943 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCS1)C1CC1 1760469988 SQIJMTQTNQBLAC-HNNXBMFYSA-N 437.382 4.897 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1Cc1occc1C)C1CC1 1760476498 VBRMJMNFSICHTO-UHFFFAOYSA-N 443.345 4.724 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC=CCC1 1760485723 OHJOABVSZSBHKU-XXBNENTESA-N 428.602 4.541 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1760496901 KDYPJYXDCGIHCM-UHFFFAOYSA-N 447.627 4.864 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C 1765025830 FSJIQRCMAXMATJ-WMQCIHAUSA-N 434.613 4.806 30 10 IJEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCO[C@H]1C(C)C 1770398564 CJAQNGMQYIKTPH-OFNKIYASSA-N 437.588 4.535 30 10 IJEE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NO)CC(C)(C)C2 1772728389 CFSMCIPVFGOSDZ-UHFFFAOYSA-N 438.265 4.596 30 10 IJEE CCCN1C(=O)/C(=C/c2ccc(O[C@@H](CC)C(=O)O)cc2)SC1=Nc1nc(C)cs1 1772763556 BEUUYFMVMLAZLZ-AGRJFPJCSA-N 445.566 4.708 30 10 IJEE Cc1ccc(-c2nc(C)c(C(=O)ON3C(=O)c4ccccc4C3=O)s2)cc1C(F)(F)F 1772791179 NZOZTJCLTSNBBS-UHFFFAOYSA-N 446.406 4.814 30 10 IJEE COc1cccc(-n2cc(/C=N\NC(=S)Nc3ccccc3)c(-c3cccs3)n2)c1 1857809728 WIYDMGIILHXJPF-UCQKPKSFSA-N 433.562 4.930 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccc([N+](=O)[O-])cc2)cc1 1859399222 KEJFIFSDLHNNTL-UHFFFAOYSA-N 439.431 4.580 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1862100330 JTMGKJJDFMSTRV-UHFFFAOYSA-N 430.552 4.501 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1862382804 KQRFUDHABOGGGT-LJQANCHMSA-N 448.302 4.751 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(OCC)c1 1862437120 JXTFXSNJWUEZSL-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1862446467 SURSKJJBUKPEIQ-LJQANCHMSA-N 434.319 4.998 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Br)c1 1862526038 BRWKCGJDLMVVLX-IBGZPJMESA-N 437.293 4.671 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2c(F)cccc2Cl)cc1 1862530889 ABUPIDHIROZTNT-IERDGZPVSA-N 443.902 4.799 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Br)cc1 1862565807 GVQDATMYAPFKFP-LJQANCHMSA-N 443.341 4.656 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2F)cc1 1862590371 HMHVTFVRZXYWLY-WNSKOXEYSA-N 447.462 4.879 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(F)c3)C2=O)cc1 1862968696 BBZAUTDPVMEQCC-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863240574 YKUVRBNCAONWSP-UHFFFAOYSA-N 441.443 4.765 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCCCC)c2)=C(c2ccccc2Cl)C1=O 1863445269 VWUXZYCBUWBZIS-UHFFFAOYSA-N 438.911 4.675 30 10 IJEE C=CCN1C(=O)C(NCCCCc2ccccc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632839 CMHCMDBEVZFPRR-UHFFFAOYSA-N 429.347 4.872 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@@H]1c1ccc(C)cc1 1865188247 WBEMQQOVWUWEKO-QFIPXVFZSA-N 448.611 4.695 30 10 IJEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870148152 YAIBSSGXNDEAJP-QFIPXVFZSA-N 432.487 4.585 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN(CC)CCCC 1870326363 MAQFPHSZCXQLRI-UHFFFAOYSA-N 440.584 4.801 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCCCCC1 1870478405 YHYHKJZHOGIEIU-UHFFFAOYSA-N 434.621 4.915 30 10 IJEE CCCCN(CCO)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871396871 AHVJJOCQALDOLM-JAIQZWGSSA-N 436.335 4.910 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871407700 YOVUGMZJMOTBQG-HNEZCVDCSA-N 443.455 4.746 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)Nc1nc2ccccc2s1 1871442243 IAWJARVRBRUHRQ-WQRHYEAKSA-N 434.498 4.992 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871982326 ZUMURDWVPNKNNB-HNNXBMFYSA-N 441.380 4.814 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872315946 UPKGDNSDQSLOSL-KUHUBIRLSA-N 441.018 4.940 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] 1872779992 XCNQEINEQAFJKL-LBPRGKRZSA-N 444.375 4.703 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCC)c2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187740 ZAXCWQWFWCINSB-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2cccnc2)C1=O 1873269529 VDYMTAMQZMZCTR-UHFFFAOYSA-N 434.540 4.593 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 1873886450 VYOOTKYNRHXIRL-WGSAOQKQSA-N 443.053 4.901 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1[N+](=O)[O-] 1874267983 ZQEOOZWKRMRSOM-CIAFOILYSA-N 429.889 4.579 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(Cc2cccc3ccccc23)nnc1SC 1874268416 WFMWXVRREWRVEB-MFKUBSTISA-N 448.548 4.652 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SCCO)cc1 1874343787 IFPJIBZYGZVABZ-BUVRLJJBSA-N 428.989 4.786 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)NC3CCCCC3)n2/N=C/c2ccccc2)cc1 1874389891 KGPAOEXWQDJNPH-YZSQISJMSA-N 447.608 4.601 30 10 IJEE CCCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874449896 OETWGILUBQFNFA-WEKPXBEKSA-N 436.537 4.733 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c1O 1874463123 ULJQQWKDMKGWJE-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE N#Cc1cncc(C2=CCN(C(=O)c3ccc(Br)cc3C(F)(F)F)CC2)c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c2ccc(Br)c(C#N)c2)CCCC1 1963716184 IALMMKKTMWCYJS-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2037376216 NEIHWYHYAJJCON-ICSRJNTNSA-N 445.560 4.512 30 10 IJEE O=C1COc2ccc(C(=O)C=Cc3cn(-c4ccccc4)nc3-c3cccs3)cc2N1 2042447656 CNCXVMKFHSKZSI-UHFFFAOYSA-N 427.485 4.828 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079046548 BNFJOBGEFLRWJZ-HNNXBMFYSA-N 427.236 4.995 30 10 IJEE CCOP(=O)(OCC)c1c(C(F)(F)F)nn(-c2cccc(C(F)(F)F)c2F)c1N 2080392282 PKSNULYAKKUZHB-UHFFFAOYSA-N 449.263 4.523 30 10 IJEE C=C(COCC)[C@H](NCCC)c1ccc(Br)cc1I 2142280460 DQUMCDYDPJZPHA-HNNXBMFYSA-N 438.147 4.687 30 10 IJEE CC(C)Cn1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)nn1 2149352587 CZGUHRSOTCPZMG-QGZVFWFLSA-N 434.338 4.703 30 10 IJEE FC(F)(F)[C@@H]1CNC(=NCc2cc(Br)ccc2Br)SC1 2161563104 OKWWMKYVXRGKGZ-MRVPVSSYSA-N 432.103 4.583 30 10 IJEE N#Cc1ccc(Nc2cccc3c2CCN3C(=O)C(F)(F)F)c(F)c1Br 2162402723 PRVQZUYYNPBQCB-UHFFFAOYSA-N 428.183 4.655 30 10 IJEE CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cnc1C#N 2174709438 GACJCQKPGCHAJI-UHFFFAOYSA-N 437.382 4.579 30 10 IJEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(Br)cc1C#N 2181146070 DJYZXGGZBKDEBF-MRXNPFEDSA-N 438.366 4.835 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(OC)c(Br)c1OC 2183070910 FKWYTJYWJPSBIZ-PBHICJAKSA-N 443.382 4.586 30 10 IJEE C[C@H]1SC(=NCc2c(Br)cccc2Br)N[C@@H]1C(F)(F)F 2195325355 ZLZAOBGVUOQVIQ-LDWIPMOCSA-N 432.103 4.723 30 10 IJEE C#CC[C@@H](CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1)C1CC1 2196765070 HQSJDOUINXSSKN-INIZCTEOSA-N 435.362 4.918 30 10 IJEE Brc1ccc(N=C2N[C@H](C3CCC3)CS2)c(I)c1 2223679416 PLQXMDXASFTEFX-LBPRGKRZSA-N 437.144 4.546 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)[C@H](N)C#Cc1ccccc1Br 2235716191 FCRUSGSHQSPTBT-CABCVRRESA-N 449.311 4.610 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C 2235716226 FFJLVPZMPLWREG-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@H](O)C#Cc2ccccc2Br)CC1 2235739214 GPUCXLNIQCSGDF-GOSISDBHSA-N 440.353 4.538 30 10 IJEE C#CC1(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)C1 2244942387 WGGQKDNZQSEOSM-RVSWETABSA-N 444.575 4.858 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c2ccccc21 2267197508 LMAUFCKMJXFYSH-UHFFFAOYSA-N 442.365 4.791 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCOc3cccc(OC)c3)cc2)SC1=S 2293355557 CSNVUUUWYXSZOG-UHFFFAOYSA-N 427.547 4.540 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCN[C@H](C(F)(F)F)C1 2294626421 OLOBJQOJHJRNJQ-WMLDXEAASA-N 448.283 4.767 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2296273636 QHOPEHUUYGRKNC-UZLBHIALSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2296293716 MQPUOHNWHSEYLY-AQNXPRMDSA-N 435.406 4.862 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CC2(CC(CNC(=O)OC(C)(C)C)C2)C1 2305322083 JFAAXLMELFCHDS-UHFFFAOYSA-N 428.573 4.603 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C(=O)C=Cc3cc(OC)c(OC)c(OC)c3)cc2)c1 2314429430 HBACKSDWGUYTNS-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CC[C@@H](Oc1cccc(C=C2SC(=Nc3ccc(C)cc3O)N(CC)C2=O)c1)C(=O)O 2314927263 CFCOUKDOPOBQGN-LJQANCHMSA-N 440.521 4.567 30 10 IJEE C[C@@H]1[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317351264 FWWNHJPDPCXARD-AFRBYUIBSA-N 429.370 4.536 30 10 IJEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2CCOc2ccccc2)cc1 2322024048 OWFORMKACDNYFA-UHFFFAOYSA-N 444.560 4.958 30 10 IJEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc(OC)cc1OC 2322904425 MMLNBMGAVKEKAH-UHFFFAOYSA-N 433.504 4.658 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC(=O)C(C)C)cc4)ccc3C2=O)o1 2323933554 FUDIUWPKTBVCKC-UHFFFAOYSA-N 432.428 4.985 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3ccccc3)C4=O)CC2)c1 2324187026 BZZCEIWWYNPXCA-UHFFFAOYSA-N 426.516 4.639 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1OCCO 2324665458 VKZIKMQCQUXJNI-UHFFFAOYSA-N 426.252 4.568 30 10 IJEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2325489093 HCXRVHNGRSKJFT-UHFFFAOYSA-N 443.455 4.748 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccc(C)cc1 2325669660 DJMGSTGJAXVEIJ-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)[C@@H]1CCCO1 2325775691 LXSINLJLURCINV-DEOSSOPVSA-N 432.472 4.838 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1cc(Cl)ccc1O 2328267893 KMTPLNVJXHCLQO-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@@H](CC(=O)NC2CCNCC2)n2ccc3ccccc32)cc1 2328380826 HRGXIVMUNCWPHJ-AREMUKBSSA-N 443.591 4.847 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccco1 2330126910 TVBLKYWFUJNCLC-SFHVURJKSA-N 439.585 4.646 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1F 2330866687 FXTRNLMIOXHRPO-UHFFFAOYSA-N 433.597 4.629 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)cc1 2331473277 WLHFRRMUXMONBX-LJQANCHMSA-N 449.624 4.891 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2331595822 XEVVCIMYSLHOSM-UHFFFAOYSA-N 425.945 4.744 30 10 IJEE CCN[C@@H](C#Cc1cccs1)c1cc(I)ccc1Br 2338247388 YAIUWKXXUVJKIU-HNNXBMFYSA-N 446.151 4.818 30 10 IJEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N1C(=O)OC(C)(C)C 2339596523 JPAGFFFFOBLHRJ-QSRVBCGDSA-N 443.397 4.560 30 10 IJEE N[C@H](C#Cc1ccccc1Br)c1ccc(Cl)cc1I 2340065807 WTHRHCDGVKDDQZ-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2358672117 SGPLNINHMFZMLG-XSYGEPLQSA-N 433.390 4.567 30 10 IJEE N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19309401 XTMOOYCTVZULEX-UHFFFAOYSA-N 434.446 4.656 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1 35514547 DDELBARWVKUKJC-JOCHJYFZSA-N 428.419 4.642 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2C#N)C1 38805323 ZSVYHSQYIJIXMN-UHFFFAOYSA-N 447.944 4.584 30 10 IJEE Oc1ccc(Br)cc1/C=N/Nc1nnc(SCc2ccccc2Cl)[nH]1 59016935 YHZZAPPKVZXIRS-UFWORHAWSA-N 438.738 4.665 30 10 IJEE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]2CCCC[C@@H]21 71843956 CBQADHRYCMWRCD-VDGAXYAQSA-N 437.565 4.657 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)N[C@@H](C#N)c3ccc(F)cc3F)c2C)cc1Cl 111219089 UMEBTAODUFUMKW-NRFANRHFSA-N 428.870 4.653 30 10 IJEE CCCOc1ccc([C@@H]2NC(=S)N(CCC)C(C)=C2C(C)=O)cc1Br 169930030 LIFRBVQMAHGONT-SFHVURJKSA-N 425.392 4.742 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169957633 VBLOAZMSRJLSKZ-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccs2)cc1 169988806 WESUNPBCXBGTLQ-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccn2)cc1C 169991003 MWQNQCQXHFMSBI-QHCPKHFHSA-N 427.504 4.547 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)c1 170058263 YBSUPVDOWZDDNX-NQIIRXRSSA-N 425.912 4.714 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 170059311 XXKQDSKJKNPOFD-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)s1 170095169 WZQNMIYMDVYPSI-IBGZPJMESA-N 438.505 4.923 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100669 LDNNQVZPESTSFA-HXUWFJFHSA-N 437.835 4.753 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142629 FCQUFTDNQONPNT-FQEVSTJZSA-N 429.501 4.723 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2cccs2)c1 170154098 YDOZNPLTYOTMKI-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3cccs3)ccc2O1 170157483 JKQCLUJPVBVZMU-ZSEKCTLFSA-N 433.485 4.560 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)cc1 170175846 JGVQKOSRXCFFJJ-XMMPIXPASA-N 435.483 4.615 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(CCc4cn(C)c5ccccc45)CC3=O)n2)cc1C 170180154 BVZOGEICJCTGBW-UHFFFAOYSA-N 442.588 4.673 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccn2)cc1 170182489 XYNDPQYBRDGREL-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170209051 OZWWCHPILNWNOI-LJQANCHMSA-N 440.286 4.562 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 170259561 MAJPXLGJRGWRAR-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170265156 WDMNMUZNBLQTSI-JOCHJYFZSA-N 425.500 4.700 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(CC)cc2)c1 170265716 URCWMSFPAZCCFF-UPVQGACJSA-N 449.547 4.795 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nc3c(s2)C[C@@H](C(=O)OCC)CC3)c1 170295087 VLHWOOSSWDACDZ-INIZCTEOSA-N 427.570 4.901 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1)c1cccs1 170374763 BLCYHOKQWZBHGV-IBGZPJMESA-N 439.876 4.913 30 10 IJEE CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(Br)cc1F 428909016 YDYPDXIIEVJERT-UHFFFAOYSA-N 427.277 4.642 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(Oc2ccccc2Cl)CC1 508503000 DNWFZTAUUZUCNL-UHFFFAOYSA-N 438.959 4.787 30 10 IJEE C=CCN(C(=O)c1cccc(COc2cccc(F)c2)c1)c1nc(C(=O)OCC)cs1 510503383 UPWQGEMNYZMCPL-UHFFFAOYSA-N 440.496 4.871 30 10 IJEE COc1cccc([C@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488775 BOPQPJULNRUOGH-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccc2OC)cc1OC 526515524 IXIKXXIUDNHILP-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccccc1OCC 526827979 QTBZMFGLESPBCF-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1sccc1C 526830262 DZRBIYGICNFREM-MTJSOVHGSA-N 432.571 4.935 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 535114298 AVZJKBHSKIWFPA-LEWJYISDSA-N 446.910 4.530 30 10 IJEE CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)[C@@H](C)n3cnc(C#N)n3)nc12 537304641 VFYRCBAWRWQLJR-MRXNPFEDSA-N 430.537 4.677 30 10 IJEE C=CCc1cc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc(OC)c1O 537637234 UESCHRQJBGXKFP-JOCHJYFZSA-N 426.944 4.731 30 10 IJEE C=CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 538402286 VFAPXZJZYCTJIV-QGZVFWFLSA-N 440.532 4.720 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC(Oc2ncccc2F)CC1 549701855 FFIOMNVMLBHGHP-UHFFFAOYSA-N 441.576 4.673 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)CC(=O)c1cccc(Br)c1 564549251 JOZQNVIWVFMYMD-OAHLLOKOSA-N 445.313 4.781 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 565484932 JQJJMZCYZZPTFS-UHFFFAOYSA-N 443.551 4.661 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 574856417 FJMFDKIMSKMYPF-SFHVURJKSA-N 440.569 4.581 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 618900865 KIDSRPQYMGNABC-NHCUHLMSSA-N 444.362 4.813 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)cc1 698982582 BZFDRKVXXJJNEU-MZNJEOGPSA-N 445.560 4.976 30 10 IJEE Cc1ccc(CNc2ccc(Br)c(I)c2)cc1C#N 701828620 ZUVNNTZQJNRNSJ-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 717984284 ZNMDZRKSHJKYSU-YADHBBJMSA-N 428.370 4.935 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)COc1ccc(C(=O)c2ccccc2)cc1 735335329 ZZCARLTVGOGNED-UHFFFAOYSA-N 435.863 4.596 30 10 IJEE Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)cc(Cl)c2)s1 738008434 QDPKHYSAKSQNJT-UHFFFAOYSA-O 428.946 4.898 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)c1 746271286 FUXFYBBXHYUJOZ-UHFFFAOYSA-N 436.870 4.646 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)c1 759107039 JAEPPERIPPCFCW-IBGZPJMESA-N 433.533 4.920 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(F)cc2F)[n+]2cccc(O)c2Cl)cc1 762440782 ZKRMFWWDLKLIGL-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 795546650 QQQPINHZRPDIEV-JOIKAWEESA-N 427.545 4.615 30 10 IJEE Cc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1 1084446274 LGCRENLTVCUDLE-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE COC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2n1-c1ccccc1 1084616863 WARZYKZNXZIRNI-UHFFFAOYSA-N 447.476 4.624 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(OCC(F)(F)F)c2C)CCCN1C(=O)OC(C)(C)C 1125824273 NVAAMKQFCMUYQZ-OAQYLSRUSA-N 440.462 4.668 30 10 IJEE C#CCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 1127098978 HWUMVKXCEJRMAR-UHFFFAOYSA-N 438.531 4.938 30 10 IJEE C[C@]1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN(Cc2ccccc2)C1 1128498347 BQKYWUFTSXWJEW-MUUNZHRXSA-N 439.559 4.779 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](C)Cc2ccc(OCC)cc2)CCCN1C(=O)OC(C)(C)C 1129625413 AZGKUHWBIOPJIY-DFBJGRDBSA-N 430.589 4.726 30 10 IJEE CCOC(=O)c1sc2nc(NC(=O)CSCc3ccc(C#N)cc3)sc2c1C 1130655241 FEZHRLOTFOVRPG-UHFFFAOYSA-N 431.564 4.587 30 10 IJEE C#C[C@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Br)cc1 1141461404 UXVUBPKRAZLWLU-IBGZPJMESA-N 449.389 4.667 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCC[C@]2(C)Cc2cccs2)nnc1-c1ccco1 1157735584 IJEOJLYLVPBYOU-JOCHJYFZSA-N 442.610 4.892 30 10 IJEE C=CCn1c(SCc2nc(C(=O)OC)cs2)nnc1-c1ccc(C(C)(C)C)cc1 1164535499 YCKZCMOLLAARHA-UHFFFAOYSA-N 428.583 4.964 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1167273913 UNOAXLHGAAYYTP-UHFFFAOYSA-N 430.527 4.774 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nccn1-c1cc(C)cc(C)c1)c1ccccc1 1180150404 DQCJOGGQYXJNKD-LJAQVGFWSA-N 425.579 4.821 30 10 IJEE C=CCn1c(SCCOc2ccccc2OC)nc2sc3c(c2c1=O)CCCC3 1188252078 GAMDQAJMBFHOFK-UHFFFAOYSA-N 428.579 4.703 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCCCC3 1188310407 ZTHKPESTEDNJTK-LJQANCHMSA-N 442.606 4.754 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)c1 1192556929 JMLZHFRFOZGYHD-AHKZPQOWSA-N 437.543 4.767 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](Cc3cccc4ccccc34)C(=O)OC)cc21 1209767729 KYWGBPLRPZXBEQ-NRFANRHFSA-N 442.519 4.529 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1229653950 VPKZPTZHOPAPAU-AUSIDOKSSA-N 427.951 4.755 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1230488760 CHPVDUMZBZMUAQ-PMACEKPBSA-N 439.943 4.680 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1251589262 ROJYIPQIXRMMRO-LJQANCHMSA-N 433.568 4.951 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(OCc3noc(C)n3)c2)c1 1264919496 VNSZTFPIJROBIP-UHFFFAOYSA-N 429.501 4.847 30 10 IJEE C#CCN(C(=O)c1cc(F)cc2cccnc12)[C@H]1CCOc2ccc(Br)cc21 1265209371 AWERVNUPYGXDNY-IBGZPJMESA-N 439.284 4.736 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)CCc2ccccc2OC(F)(F)F)c1 1270778619 CMYWEKUVAAGZSX-UHFFFAOYSA-N 428.204 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCCCC1 1286278439 CXHKFMSENJUFJN-IBGZPJMESA-N 439.673 4.998 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1286283742 UMTYSMPTEQULNU-ZEYPLWLESA-N 449.986 4.928 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286318376 NNEXRKHSCNGBSD-UHFFFAOYSA-N 445.567 4.508 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1286355466 PRJPYJUGCXMKLI-LJQANCHMSA-N 443.636 4.554 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1CCC(C(F)(F)F)CC1 1286362926 HIDZPQBPCKIOGV-KLAILNCOSA-N 438.469 4.995 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC1CCC(C(F)(F)F)CC1 1286467317 UIXAGAIAVKPFSA-UHFFFAOYSA-N 448.533 4.632 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1286500089 YWAHTFMQJWOEKW-JOCHJYFZSA-N 445.592 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1Br 1286553828 GFGNNFUJGYGCGE-QUCCMNQESA-N 445.405 4.926 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cccc(N2CCCC2=O)c1 1286580100 YFOLASZNNGHTTD-UHFFFAOYSA-N 435.597 4.508 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1286619338 ACEYOZBAVRADHE-SUMWQHHRSA-N 439.785 4.885 30 10 IJEE C=C(Cn1c(N2CC=C(C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1286619765 VYAXVUWAMVUWDF-SZPZYZBQSA-N 449.599 4.919 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCCc1ccccn1 1286634774 XCDRYCUTOLJVOE-UHFFFAOYSA-N 425.964 4.690 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN(C)C(C)C)CC1 1286656802 WJDCGHKZPPYASC-UHFFFAOYSA-N 446.437 4.759 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(SC)CCC1)C1CC1 1286731482 OLIDRUBALCVTMB-UHFFFAOYSA-N 425.602 4.588 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H]1C 1286744538 KTVBDHZLWVIDCF-RNHFSVANSA-N 442.579 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CC(F)(F)CO1 1286750271 WGMOKMGLTZZDFL-IBGZPJMESA-N 444.551 4.856 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccnc(SC)c1 1286755504 BEOZPRCRJFPJNB-UHFFFAOYSA-N 428.565 4.837 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](CCOC)C1 1286826245 BSDXRBGSVYKZQX-QZTJIDSGSA-N 446.686 4.913 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCCCC2)C1 1288974321 CBOLXRVSZOZIRT-QHCPKHFHSA-N 426.996 4.605 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)OCC 1298024168 HWCLFLITQZZOQQ-JOCHJYFZSA-N 437.927 4.820 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1300348218 KNBQEECFWIVQLI-RBUKOAKNSA-N 442.629 4.875 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)CCOC 1300564568 YCRQNIRBMXRPFV-IBGZPJMESA-N 438.641 4.657 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1300565994 ZNJMRBOZXJQXOC-ZCYQVOJMSA-N 442.563 4.786 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)[C@@H](C)CC 1300603942 YWYZQUUYTVWWKJ-BXKMTCNYSA-N 437.613 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@H]1C(C)C 1300786420 GLLKTKPUWVRZJU-CFGBTRHTSA-N 440.563 4.610 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(C)c1 1300832463 MMOPDJXRUMKDBF-UHFFFAOYSA-N 432.753 4.847 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(CC)[C@@H](C)C1CCC1 1300861751 MKGZGMQWMYTWDG-HNNXBMFYSA-N 437.357 4.920 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(c3ncc(C)s3)CC2)nnc1C(C)(C)C 1300897356 PYECHFMTDKQRGD-RBUKOAKNSA-N 429.634 4.706 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCSC2(CCCCC2)C1 1301193888 AHRYRBKAOZZZQO-UHFFFAOYSA-N 428.650 4.752 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1C 1301403156 VWBOZWAOTNMSCY-HYBUGGRVSA-N 432.616 4.811 30 10 IJEE COCCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1301414998 DCMZRRUUKNZZSH-QGZVFWFLSA-N 445.995 4.874 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2CCCCO2)C1 1301557896 XRVFSLWIDQBFCH-VXKWHMMOSA-N 445.007 4.653 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1301612388 LTFPLQQMJFLWSE-YADHBBJMSA-N 442.629 4.579 30 10 IJEE CCCCn1cc(Cn2c(-c3ccccc3Cl)nnc2N(C)[C@H](C)CC#N)c(C)n1 1306716038 CTADFVRPUGOVSD-MRXNPFEDSA-N 425.968 4.690 30 10 IJEE COc1ccccc1C[C@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1307504765 BZMHZHZDCRVWLV-KRWDZBQOSA-N 448.542 4.615 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 1310474052 BCZGLMIXCUFYSY-QHCPKHFHSA-N 446.532 4.558 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](c1ccc(OC)nc1)C1CC1 1310862942 BRYMXSDGDCPXFJ-IBGZPJMESA-N 432.318 4.690 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCOC(C)(C)C)CCC(C)CC1 1315268489 DSENOSBGSKQHIC-UHFFFAOYSA-N 439.604 4.663 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)c(OC)c1 1351408800 PDEMZJZQHQJKLY-UHFFFAOYSA-N 437.536 4.651 30 10 IJEE C=CCN(C(=O)[C@H]1CCC=CCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352002904 DWECMFXPVAWWLJ-SFHVURJKSA-N 430.595 4.869 30 10 IJEE C=CCn1cc(C(=O)Nc2nc(-c3cc(C)n(CCc4ccccc4)c3C)cs2)nn1 1352043061 YXXRGKQIAFKJHR-UHFFFAOYSA-N 432.553 4.501 30 10 IJEE CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1353094354 FMOABEGWPBNFJQ-FQEVSTJZSA-N 437.559 4.652 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2ccc(C)cc2)cn1 1353819283 VZECFBIFPDLXLA-UHFFFAOYSA-N 433.460 4.925 30 10 IJEE C=CCc1ccc(OCC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)c(OC)c1 1356596110 QGRMFUYRUFMSKA-OAHLLOKOSA-N 430.342 4.538 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1358933379 RNOUVALHLRMQRY-ILBGXUMGSA-N 433.644 4.568 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1359127302 NJZANCDLCDDYEI-IRXDYDNUSA-N 448.409 4.645 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1359166718 FBLRXPTUIPNDDC-QFIPXVFZSA-N 449.599 4.710 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(COC)CCCC2)CC1 1359175432 LLBSHMZZKZOVDK-UHFFFAOYSA-N 439.560 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2nc(C)no2)CC1 1359184891 DPAVOSSBHQUSPI-UHFFFAOYSA-N 441.967 4.671 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1nnc(C(C)(C)C)s1 1359196552 LGTYNIZPVCDNAT-KRWDZBQOSA-N 432.638 4.900 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Br)o1 1359211962 VEUNZGXHNSNVKW-UHFFFAOYSA-N 426.318 4.775 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@H]1C 1359223421 KQXPVVWJTBPXKE-DOTOQJQBSA-N 433.394 4.843 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1359224480 SQRKQDKCLXKFNF-HNNXBMFYSA-N 439.387 4.848 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)c(F)c1 1359264113 UYMFVWXJYXSKSN-GOSISDBHSA-N 442.560 4.622 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359284755 KOJLULNMSZXVJL-UHFFFAOYSA-N 430.478 4.664 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H](C)CC#N 1359338969 NZUFUVIKUYDECL-CYBMUJFWSA-N 438.370 4.504 30 10 IJEE C#CCN(C(=O)C1(Cc2ccccc2F)CC1)[C@H]1CCOc2ccc(Br)cc21 1360557422 XWEKJDCHWGLPDT-FQEVSTJZSA-N 442.328 4.897 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C 1436685680 GYHHYYZUEFHAQU-BDYUSTAISA-N 428.576 4.827 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1csc(C=O)c1)c1ccc2c(c1)OCCO2 1443638696 YGBKENZGUSEQGM-UHFFFAOYSA-N 435.501 4.744 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)cc1 1450611769 ULZNCSCWOXXADB-AUSIDOKSSA-N 444.369 4.529 30 10 IJEE C#CC[C@@]1(C(=O)O[C@H](C)c2nc3cc(Cl)ccc3n2C)CCCN1C(=O)OC(C)(C)C 1457181829 AWZJPKVJBZMLSN-CMJOXMDJSA-N 445.947 4.624 30 10 IJEE CCCc1c(NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)cnn1-c1cccc(C#N)c1 1461432113 FBMWUCCNWPQEES-INIZCTEOSA-N 433.503 4.657 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1OC 1462039458 CEDLQQGAAVUVQT-RVPHRTOXSA-N 449.378 4.999 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1I)c1ccc(Cl)cc1F 1465201157 MYMHRYLGVIVMOC-CQSZACIVSA-N 428.632 4.580 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c1 1466416090 BFPNKEFJUXQZPE-OAQYLSRUSA-N 437.540 4.964 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CCOCC1 1466941757 PFYDVFHXIBBCNF-AWEZNQCLSA-N 426.332 4.526 30 10 IJEE CC(C)COc1cc(NC(=O)NCc2cccc(OCC#N)c2)ccc1Br 1467384516 GNCPPTRNCHNNAR-UHFFFAOYSA-N 432.318 4.708 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1 1469800425 ZVMXYIDDOGFUPF-UHFFFAOYSA-N 437.540 4.502 30 10 IJEE C=C[C@H](Sc1nc2sc(C)c(CC)c2c(=O)n1-c1ccc(C)c(C)c1)C(=O)OC 1472918394 SNHPDYUCBNTVKG-KRWDZBQOSA-N 428.579 4.755 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@](O)(c2ccc(Br)cc2)C1 1474733098 PENNPVSWUBCSIE-OAQYLSRUSA-N 434.761 4.598 30 10 IJEE C#C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)C1 1475814686 PDHNUSTZBDHIOM-AWEZNQCLSA-N 433.405 4.974 30 10 IJEE C=CC[C@@H](NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1477934818 ZSKOHNNXCTYVLH-YKSBVNFPSA-N 428.577 4.522 30 10 IJEE C[C@@H]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 1493452461 DPLJNLOTJKJTCR-MOPGFXCFSA-N 438.595 4.640 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN(C)C1CCCCC1 1507606520 OPJAKCNGIKHQEJ-UHFFFAOYSA-N 439.673 5.000 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(C)CCOCC1 1507642139 QJJHQXSCWYHDGK-UHFFFAOYSA-N 438.984 4.703 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1507761217 DVHCZPLRMNJYFF-NBGIEHNGSA-N 440.035 4.959 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1507837850 GMCNQYBXMMOSQE-GOSISDBHSA-N 448.970 4.583 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)OC(C)(C)C1 1507960185 WITJBVSWSIEZBV-ROUUACIJSA-N 444.645 4.728 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccc(F)cn1 1507975976 YUNCMBQNKLUCAN-UHFFFAOYSA-N 436.716 4.566 30 10 IJEE C=CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)CC)C1CC1 1507994192 NBBOYIBUNYVDJA-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1Cc1c(F)cc(F)c(F)c1F 1508011088 LNQFPJHNVBOQAK-UHFFFAOYSA-N 440.466 4.673 30 10 IJEE C=CCC[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1520010659 GUZMAHJSMRQMJN-DEOSSOPVSA-N 440.609 4.618 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2cc(Br)cc(Br)c2o1 1524517318 YLYXRWPSISBLGV-BMIGLBTASA-N 443.135 4.669 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(c2cc(OC)cc(OC)c2)CCCC1 1525731419 YHMJVKZKUZCYFW-UHFFFAOYSA-N 425.573 4.898 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C(=O)OCC)c1C 1532545090 IHEMABMCANDXHG-QGZVFWFLSA-N 440.521 4.602 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1533393119 YHGTZILLYIBSAB-UHFFFAOYSA-N 431.256 4.523 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C2(C)CC2)c1 1534075972 ACDDSFQHGOTTOZ-QGZVFWFLSA-N 447.000 4.982 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C1CC1)N(C)C 1539351830 JDZPGOZJFNUCJD-HXUWFJFHSA-N 437.588 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCc1csc(C(C)C)n1 1539357353 HVGCBLXASUSSAI-UHFFFAOYSA-N 430.581 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCNc1ccccn1 1539568913 DLOVUNFUINMELU-RUZDIDTESA-N 446.624 4.768 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C)[C@H](OC)C1 1539587120 WBYRCPKJFMKTSA-MEDUHNTESA-N 443.748 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1539619910 IKFLJJVTDDPFTB-LZNRXBQRSA-N 439.629 4.995 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CC)Cc1c(F)cccc1F 1539628520 QXUVDGYZEKWCIC-HTAPYJJXSA-N 439.510 4.626 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCOC)Cc1ccco1 1539690907 BCWOXNWBCYVQHI-QGZVFWFLSA-N 426.586 4.954 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(C#N)CC1 1539811577 FLSWZIFIOWKDQK-UHFFFAOYSA-N 434.371 4.744 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1ncccc1N(C)C)C1CC1 1540115952 KXOOJZUPVPNHIK-UHFFFAOYSA-N 434.613 4.543 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2Cc2sccc2Br)C1 1540888416 PELURTFKRNOOEX-INIZCTEOSA-N 445.386 4.599 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n(-c2ccc(C#N)cc2)n1 1544513510 HNFQAWWZWJXOIA-QFIPXVFZSA-N 441.579 4.892 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1sc(C)nc1C 1545740846 FEPIFQVSRRUYOI-CVDCTZTESA-N 438.576 4.578 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1552748823 DJHUQEIZCAEYEQ-SIKLNZKXSA-N 447.414 4.722 30 10 IJEE C#Cc1cccc(CNC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)c1 1557022403 LAZWKMOALNIHCU-UHFFFAOYSA-N 446.553 4.613 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](Cc2ccc(F)cc2)C1 1559547627 ADTZWHGYXPXWGM-AEFFLSMTSA-N 425.573 4.919 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 1565277518 RCDXDSKNLBJZJS-FQEVSTJZSA-N 445.523 4.735 30 10 IJEE C=CCCC[C@@H](NC(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1)c1ccccc1 1565277716 WKTVPUSCIURHNG-AREMUKBSSA-N 440.676 4.922 30 10 IJEE C=CC[C@@H](CO)CNC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 1565278900 IHIZASAEGAVXQM-CYBMUJFWSA-N 427.303 4.909 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(Cn3cc(Cl)cn3)s2)cc1 1585562321 WANBHUNKXLPNLY-UHFFFAOYSA-N 429.929 4.908 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(COC(C)(C)C)c1 1587593544 MAWUOKMIQKXWPM-QGZVFWFLSA-N 437.975 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1589548012 XMHQOSTZXUBKDG-LEEZEASISA-N 426.605 4.534 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1589721872 GOYBSLGVSJVVSS-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1593631109 SSBLFKTYFYQFQC-CVEARBPZSA-N 431.378 4.634 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1594202077 FGIKSVUDRHMBQZ-FQRUVTKNSA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCN2CCC)CC1 1594409309 VLECBPMUGGMJQN-HSZRJFAPSA-N 437.632 4.567 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OCCC)nc2)CC1 1594431071 UUOZKTAIYXUBKV-UHFFFAOYSA-N 447.583 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](OC)C1 1594456203 ZWUQPDIYFSYSKU-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C2CC2)C1 1594460893 GDRXSWDFOSYMQI-GOSISDBHSA-N 440.588 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1594478210 OKTIZEJGWJQPGW-RHSMWYFYSA-N 426.458 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1594520861 DSKRIGUILXWSNB-IBGZPJMESA-N 426.605 4.678 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCC=C(Br)C1 1594650820 BDQCBJUEWPRPQU-UHFFFAOYSA-N 435.341 4.841 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1594698337 NQFNLPBZZYFQMN-RBUKOAKNSA-N 443.592 4.942 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1 1595239673 PYYITPHJOBXPLK-QHCPKHFHSA-N 433.625 4.785 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)CCCN1C(=O)OC(C)(C)C 1611091523 CVXOVDDGRLGMPE-HXUWFJFHSA-N 437.418 4.578 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c[nH]c2cnc(Cl)cc12 1611098966 JZPXHWXMEYDSRA-UHFFFAOYSA-N 436.712 4.875 30 10 IJEE N#Cc1cccc(-c2n[nH]c(NC(=O)c3ccc(-c4ccccc4OC(F)(F)F)o3)n2)c1 1611701747 BMJDFNWIHJDLRO-UHFFFAOYSA-N 439.353 4.754 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 1613117724 AMFRWNUUKUKLKH-IBGZPJMESA-N 440.590 4.919 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nc2sccc2c1=O 1613303872 XMZIFNOMZZBYNS-CQSZACIVSA-N 440.468 4.669 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)c1ccccc1 1618590110 UTHXBUDICLDIAD-WJOKGBTCSA-N 430.533 4.797 30 10 IJEE C#CCN(Cc1cc(Cl)ccc1OCC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1620580138 MVKKKCGRVNTDDN-UHFFFAOYSA-N 432.992 4.964 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 1622074453 GMYSDJKFJXWWIY-YGUOUDRMSA-N 448.388 4.820 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Br 1622346730 LYUOOLWGHDEGOG-FZMZJTMJSA-N 437.197 4.625 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@H]3C2)c1 1627661306 YXGVZZIEZCQUNT-KDURUIRLSA-N 444.984 4.593 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 1635491203 PVHXYAVSOHTRQK-UWJYYQICSA-N 445.387 4.567 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)n1 1635721364 LCRIGMYEYUTMLI-OAQYLSRUSA-N 444.620 4.509 30 10 IJEE CC(C)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C(C)(C)C)cc1 1645402920 BVMANONSVZHLLH-DEOSSOPVSA-N 429.568 4.967 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H]1CCC[C@H](C(F)(F)F)O1 1651886426 CGWFKTSENLBPIB-IAGOWNOFSA-N 427.492 4.944 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)C(=O)OC 1652014505 ZSMWBLUASBLZDX-OAHLLOKOSA-N 427.444 4.941 30 10 IJEE C=CCC1(NCC(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)CCCC1 1655078743 QIDKBIXEXQUIQP-HSZRJFAPSA-N 431.580 4.903 30 10 IJEE Cc1cc(C(=O)Cn2c(=O)c(C(F)(F)F)nc3ccc(C(F)(F)F)cc32)ccc1F 1656461214 GCJXVXHBZIZREQ-UHFFFAOYSA-N 432.295 4.765 30 10 IJEE Cc1cccc(COc2ccc([C@@H](C)N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cc2)c1 1657931677 DAFICAYBUIXLRD-FQRUVTKNSA-N 425.532 4.902 30 10 IJEE C#CCN(CCCP(=O)(OCC)OCC)[C@H]1CCOc2ccc(Br)cc21 1658569337 ZNRXJLRBWJNZMI-SFHVURJKSA-N 444.306 4.864 30 10 IJEE C/C(=C\c1ccccc1OC(F)F)CNc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1658569781 JSBGDUMXEOMUED-JLCBZENISA-N 449.523 4.616 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1cnc2sc(C(=O)OCC)c(C)c2c1 1660212690 MJOHNZNKWISGSY-UHFFFAOYSA-N 436.599 4.538 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1)c1ccc(Br)cc1 1660217948 MIEMASCWRSSQPW-SFHVURJKSA-N 427.277 4.578 30 10 IJEE C[C@H](CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1ccc(F)cc1 1661806444 DOZKAJAGVXJTDN-SNVBAGLBSA-N 445.356 4.609 30 10 IJEE CC(C)(NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1663886370 CHBUYQNKLIYZFV-UHFFFAOYSA-N 436.377 4.809 30 10 IJEE C#CCN(C(=O)NCCc1c(C)cccc1C)[C@@H]1CCOc2ccc(Br)cc21 1670265408 TYVMDDHVOROQPS-OAQYLSRUSA-N 441.369 4.777 30 10 IJEE O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N[C@H]1COc2c(F)cc(F)cc2C1 1670976412 BYAYXQMWYRSVCU-LLVKDONJSA-N 438.299 4.710 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2ccc(OC)cc2)CCC1)c1ccc(Br)cc1 1680919544 VRMPUCYAGKOJIQ-FQEVSTJZSA-N 427.342 4.553 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCc1ccc(Br)cc1Cl 1681578460 RSADWPSXLUBANS-UHFFFAOYSA-N 441.753 4.518 30 10 IJEE C=CCCC1(CNC(=O)N2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CCCC1 1682691587 AKAVUOZTLMGEDW-IBGZPJMESA-N 443.554 4.736 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(Cc3nc(-c4cc(C)ccn4)no3)CC2)CCCC1 1683823188 GRYCWYLKMCJHTQ-UHFFFAOYSA-N 437.588 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1690270169 WBWZLBWEXOLXFH-QFIPXVFZSA-N 448.615 4.557 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[C@H]2CCCCO2)CC1 1690412422 PTHZMXXOPJROCF-LJQANCHMSA-N 430.543 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1690433380 VNTWVTYFAGUNNB-XMMPIXPASA-N 431.024 4.916 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1690444163 BQUBHSWCGFKXHG-QHCPKHFHSA-N 431.584 4.953 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1690461155 VLZWLLXLIOSTED-FQEVSTJZSA-N 436.604 4.858 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@](C)(CC)O1 1690520182 MLHDCFLMJIIUDW-QRWLVFNGSA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCN1CCC[C@@H](C)C1)C1CC1 1690540102 ZSWHYWMXPUXNJL-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2sc(C)nc2C)C1 1690690340 WTMXSWVCASCJGD-INIZCTEOSA-N 447.967 4.641 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(CC)CCCC2)C1 1690711792 ILCMNXDJKMUXLD-NRFANRHFSA-N 428.552 4.748 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1692292262 IDJKKMARNTYGKF-DQEYMECFSA-N 434.588 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H](c1ccsc1)N(CC)CC 1705486586 HWWCQLGEGOAPNA-DYESRHJHSA-N 425.577 4.687 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1ccc(Cl)s1 1705609757 PJAKUUBWCMKAJI-UHFFFAOYSA-N 444.988 4.770 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(N(C)C)CCCC1 1705712715 DSMKFUGWUALSPV-UHFFFAOYSA-N 433.547 4.823 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705722167 XWQUTIKRNCDJOM-FUHWJXTLSA-N 445.995 4.914 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)c1ccco1 1705727086 FAQXLQPGSGZZAY-HNNXBMFYSA-N 431.334 4.986 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1705732992 HKNWKQPGTFHPML-PMACEKPBSA-N 442.604 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)C(C)C)CC1 1705764710 KOALEJPZTBCMFM-UHFFFAOYSA-N 428.577 4.810 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@H](F)C2)CC1 1705777387 HGVCVGBNMNXBGB-WBVHZDCISA-N 436.373 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cccn(CC)c2=O)CC1 1705777983 WVTOPIVOSSQFEJ-UHFFFAOYSA-N 445.611 4.875 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705800939 OHENITYDMHUNJX-GOSISDBHSA-N 430.980 4.729 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705805951 STNXLVHPBNVKPO-MDZRGWNJSA-N 436.478 4.782 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cn3ccccc3n2)n1C/C=C/CC 1705864388 AANFNCCGFDDQDG-WEVVVXLNSA-N 430.531 4.815 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705949214 RUCXHHPGFRTHKX-PZJWPPBQSA-N 444.670 4.803 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)cn1 1706681794 AVESHXMAHJWWQB-UHFFFAOYSA-N 444.564 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722299321 OMPVFUZWOIOXRO-TUNNFDKTSA-N 438.616 4.853 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCCN1CCC[C@@H](C)C1 1722417684 PJHZKNFLNCIQPA-OAQYLSRUSA-N 439.623 4.867 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCSC[C@H]1C 1722464993 CJSTZMLOJFYUKE-LJQANCHMSA-N 444.670 4.597 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1722488377 HAESUWABYUYCCV-YJLNNSPDSA-N 433.369 4.932 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCC1(F)F 1722498178 QYCMAQZDDWGKGR-FDDCHVKYSA-N 444.526 4.683 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccco1 1722502064 HUOPIVPXASLMBA-HYBUGGRVSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC1(N(C)C)CCCCC1 1722513636 CYIJUIVZUQPUFJ-UHFFFAOYSA-N 431.575 4.814 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1722521078 DBPHEXWJTUAUJJ-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1722533169 JYPLLDSDJMQIMV-JOCHJYFZSA-N 426.605 4.600 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN(C(C)C)C(C)C)CC1 1722568471 NTOZNZHIGVQQDY-UHFFFAOYSA-N 425.621 4.749 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC1(C)C 1722584691 HSHADWCCBRIXGD-UHFFFAOYSA-N 444.649 4.528 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C2CC2)C1 1722623205 YOSWRAYSCNWPMH-SFHVURJKSA-N 431.378 4.537 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc([C@H](C)O)cc1 1722663141 TXQUCAGWFWAAHM-SFHVURJKSA-N 433.581 4.639 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCS1 1722667963 SGXUZANFAGJNIU-FQEVSTJZSA-N 425.602 4.611 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722673239 MEBUGUQIZGMWAY-VIICAESSSA-N 438.616 4.755 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)Cc2cccs2)C1 1722720544 DMDLKAJUBXOUHV-UYAOXDASSA-N 440.588 4.730 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1728227165 GUORCQIJNKMONW-JOCHJYFZSA-N 444.583 4.921 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(OC)CC1)C(C)C 1728737215 GQGZGDANEBKMLY-RDGATRHJSA-N 439.604 4.663 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1CCCC[C@H]1C 1740543682 VAFONCKICMINSP-LEWJYISDSA-N 430.600 4.606 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CCC)CCC1 1740554988 YXEOKBZSCVJKFI-VQTJNVASSA-N 443.636 4.821 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)(COC)CC1 1740585492 UEBAWJVNPQDDIH-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@H](F)C1 1740776896 FWAQFGKLBJRESP-QRVBRYPASA-N 435.588 4.891 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740786122 QPZNDNZZMSVCLB-ZCNNSNEGSA-N 429.609 4.943 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@]2(CCSC2)C1 1740803263 HXERFYYERYKHCS-GOSISDBHSA-N 439.810 4.794 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740815678 GZVQOSFIMBNQFC-GDBMZVCRSA-N 427.401 4.980 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)CN2CCCC2)CC1 1740833863 YKNXJDNBZWHUFT-VQTJNVASSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CC=CCO2)CC1 1740841810 BITQPUVMELHSMI-GOSISDBHSA-N 449.382 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)Cc1cnn(C)c1 1740843671 NGBKPHWUSOWIEM-UHFFFAOYSA-N 449.603 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC2(CCOCC2)C1 1740844781 ULMSGRPXUDZXTM-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](C)C1 1740859389 KWERTFJQJWIODY-KBPBESRZSA-N 425.396 4.739 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740866510 GJJFYXKKSWYKBS-UXHICEINSA-N 442.629 4.941 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(COC)CC1 1740870481 PLVPASTXTWXFQO-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@H](OC)C(F)(F)F 1740893941 CQJUODXMQURHDC-CXAGYDPISA-N 428.524 4.721 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCc2ccc(Cl)nc2C1 1740944770 HIXYSZHCAZLGJP-UHFFFAOYSA-N 444.764 4.813 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC(F)(F)F 1741960861 GIUIPPWIRCXEPB-VXGBXAGGSA-N 440.363 4.898 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1c(C)coc1C 1748649097 JGSOFIZXDYNCLP-ZDUSSCGKSA-N 431.309 4.563 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCOC1CCCCC1 1748779439 JVMMHCOBYXFTKH-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@@H](CC)C1 1749024279 LMDPNDCPJZIHSR-WMZOPIPTSA-N 446.711 4.830 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1749033951 SANBMFHCXHLWHL-NRFANRHFSA-N 440.613 4.661 30 10 IJEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C[C@@H](C)CC 1749103532 ASGABPIQKRHFIG-KBXCAEBGSA-N 435.366 4.572 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1749208953 HDJBTHYUQQOYOX-DHIUTWEWSA-N 437.632 4.716 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749296037 DWEYHTNIAAKYKQ-OYRHEFFESA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(SC)CCC2)CC1 1749330407 BLZNTWDVTRQSLM-UHFFFAOYSA-N 436.423 4.724 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1 1749377130 MGHCKUFYCGIYTN-SQNIBIBYSA-N 435.588 4.747 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749448904 DWUCHADAUARCGE-OAQYLSRUSA-N 449.599 4.870 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(SC)c1 1749564435 WIJNMYMAGPOOIR-UHFFFAOYSA-N 441.988 4.951 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@]2(CCSC2)C1 1749613710 GKARCZOCQIGJHR-GOSISDBHSA-N 439.810 4.880 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N(C)C1CCN(CCC)CC1 1749749632 NQNWJPLFQBXWEZ-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1760306439 HHUPRBMWWUPBGP-GDBMZVCRSA-N 431.334 4.634 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)Cc1ccc(F)cc1F 1760328439 VRAVVIGLHLYBMB-STZQEDGTSA-N 446.542 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1760335158 LSSVFBHVDIXACS-DENIHFKCSA-N 442.629 4.894 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccc(C#N)o2)CC1 1760392526 TVYQOMKFWFRUTR-UHFFFAOYSA-N 444.322 4.833 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(OCC)CCCC2)CC1 1760402533 MKLUIONYODPEDH-UHFFFAOYSA-N 430.543 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1760409870 LAVZEAWJNSPHHV-QFIPXVFZSA-N 447.583 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(=O)N(C)C)CC1 1760410454 FQNFTESUHDYBQM-UHFFFAOYSA-N 448.615 4.723 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1760418090 MMMYRXIMKWIRBJ-JTHBVZDNSA-N 431.584 4.953 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1760418428 SEXUCUKCPIFEDJ-VBSBHUPXSA-N 434.506 4.777 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1nnc(C(C)(C)C)s1 1760459509 VQQYAKCTHUIEIK-UHFFFAOYSA-N 447.406 4.527 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)COC)C1 1760539121 KMDSFYYMIKZUGR-NRFANRHFSA-N 426.605 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](CC=C)c2ccccc2)C1 1760544747 GQVDBGFYLFLFSZ-PKTZIBPZSA-N 429.568 4.790 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)c2cccs2)C1 1761542258 HHANRXTYSINRRN-FCHUYYIVSA-N 441.988 4.698 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccc(Cl)s1)C1CC1 1764823043 DWCPVNOKVALEQY-UHFFFAOYSA-N 427.961 4.675 30 10 IJEE Cc1ccc(COc2ccc(/C=C3/SC(=Nc4nnc(C)s4)N(C)C3=O)cc2)cc1 1772739523 UOYGKLKZQVDDQT-PTOVGEMASA-N 436.562 4.968 30 10 IJEE CCN1CCc2nc3ccc(F)cc3c(C(=O)Nc3sc4c(c3C#N)CCCC4)c2C1 1859648582 IHNCFOBLGURILJ-UHFFFAOYSA-N 434.540 4.816 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(COC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 1860056260 OADRAJCBNKANEB-UHFFFAOYSA-N 438.527 4.786 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)COc1ccc(Cl)cc1Cl 1861681104 PVCHECHTEPBJCG-GOSISDBHSA-N 429.388 4.840 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1cc(OC)ccc1OC 1861731161 LXGAPDRUWASBJQ-AKXFXYSNSA-N 444.616 4.965 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(O)c2)c1 1862412016 UKLPKOOZYNSZPD-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862415374 VPGXZZNDOKBKHW-HSZRJFAPSA-N 448.469 4.809 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)c1 1862434409 YHGQJFCJEGDACV-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 1862452131 VNDJYIXDTISWTM-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862510117 WVIUNOXKHIYLMS-MWTRTKDXSA-N 436.527 4.893 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 1862584841 IWFBYERVMJBSJH-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862590315 GFIYXGDUOBMCJS-XMMPIXPASA-N 443.499 4.742 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2F)cc1 1862614437 ARWBCXCCONBVKD-AVRDEDQJSA-N 437.511 4.881 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 1862650202 PTHZCXUKGRXJDQ-HSZRJFAPSA-N 431.488 4.550 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)c1 1862699325 SKWQAWYGKAZPGK-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 1862725128 BMULTZLFEUAKMG-JOCHJYFZSA-N 433.891 4.578 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)cc1O 1862727967 QBHIUUNJJRLCQK-XMMPIXPASA-N 441.483 4.809 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1ccccc1C#N 1866658208 MZAULKWMPNJPGV-OAQYLSRUSA-N 448.498 4.517 30 10 IJEE N#Cc1cccc(C(=O)Nc2nc(N3CCCCC3)nn2-c2ccc(Cl)c(Cl)c2)c1 1870047096 RKVWLJZDKUHWJM-UHFFFAOYSA-N 441.322 4.688 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870300784 VCNDNZLNADVBLE-UHFFFAOYSA-N 443.572 4.569 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccncc1)O2 1871373785 TYAFOMOWQMVXJR-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE COCCN(CCOC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871394574 FELNBDUFOMAWGV-HAHDFKILSA-N 439.552 4.535 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)o1 1871439320 SIJDJJXTPVRERZ-YVNNLAQVSA-N 448.427 4.689 30 10 IJEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871453623 IWQAFBWIMAVGJS-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872231101 OGMQGNWARIWBOS-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1cccs1 1872453790 MZGFDVUHZWSKJG-IBGZPJMESA-N 441.018 4.940 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccs1 1872461729 ZBGWVVPZQLPFKA-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872571548 JNEFRIXDQFDLLG-HTAPYJJXSA-N 432.561 4.673 30 10 IJEE CC(C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4Cl)cs3)cc2C1=O 1872764832 ZKWAFDHJLHXUGG-QGZVFWFLSA-N 449.919 4.958 30 10 IJEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc(Br)c1OC 1872774657 YGOYUGZRTMIZRR-GFUIURDCSA-N 435.343 4.936 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(F)cc(F)c3)C2=O)cc1 1873309826 RMQPVBWRGNVYJN-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE N#Cc1ccccc1Nc1[nH]c(=NCCCc2ccccc2)nc2c1cnn2-c1ccccc1 1873478307 FJOSIRAMQJPJHI-UHFFFAOYSA-N 445.530 4.897 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1c[nH]c2ccccc12 1874219944 MXKHSEURPINGOD-PCLIKHOPSA-N 435.553 4.774 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2ccc(OC)c(O)c2)cc1 1874257516 DYZHPIOLRVBALN-OEAKJJBVSA-N 426.542 4.518 30 10 IJEE CCCOc1c(/C=N/n2c(COc3cc(F)ccc3F)nnc2SC)cccc1OC 1874259484 CHQBWPRVIWIONQ-WYMPLXKRSA-N 448.495 4.537 30 10 IJEE CCOc1cccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCCCO)c1 1874271056 BYZXCNWLXHFNGS-NLRVBDNBSA-N 446.576 4.778 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1cccc(OCCC)c1 1874290565 VVJAWPDVAQKTBL-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccn2C)cc1 1874292645 DQRUNJAMPVKADK-MFKUBSTISA-N 447.564 4.687 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccccc1 1874421493 OFXCZQUPRQKWID-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1nccs1 1874577334 JFHBQIZHVSUBHU-CMDGGOBGSA-N 428.897 4.719 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](C)O[C@H](C)C1 1874640096 BBHOBBJLGWRTAX-JXALWOEJSA-N 441.616 4.582 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1 1875129033 HUQJFJSAQFPETP-HSSRVXSRSA-N 430.884 4.728 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccccc1F 1875147866 PLQBDBBGDDGAIG-RMKNXTFCSA-N 448.446 4.650 30 10 IJEE N#Cc1cc(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1Cl 1885416491 VTVJLBNIJWBIQJ-UHFFFAOYSA-N 431.879 4.689 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)ccc1Br 1898261485 QYBZONWSNLEIKF-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE CN(C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1ccc(C#N)cc1 1902271879 RRROJYBLYNGCIE-UHFFFAOYSA-N 437.499 4.592 30 10 IJEE CCCOc1c(Br)cc(Br)cc1C=N[S@](=O)C(C)(C)C 1911848846 HWUNJCUQHBNMMR-HXUWFJFHSA-N 425.186 4.882 30 10 IJEE C=C([C@@H](NCC)[C@@H](O)c1cc(Br)c(Br)s1)[Si](C)(C)C 1922967757 INMSPNBQVFBXAG-NEPJUHHUSA-N 427.278 4.718 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1934695058 AXEMPORXQISTGA-XLNZFTOWSA-N 427.545 4.715 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C 1962794331 SOSVBXOOTQZCSU-UHFFFAOYSA-N 437.378 4.633 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCCC[C@H]1C#N 1962933297 JGJSUDXIZXHRDL-WDNCENIBSA-N 445.563 4.748 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1976670398 LDBRZPZKEDAHLT-ZIAGYGMSSA-N 435.487 4.571 30 10 IJEE C#CC[C@H](C[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)C1CC1 2020095668 ZVZXDPCEAQMKLN-OUJCMCIWSA-N 428.617 4.903 30 10 IJEE C=CCC1(NC(=O)c2ccsc2Br)CCN(C(=O)OC(C)(C)C)CC1 2054383400 PQLGBZCCGRYXBR-UHFFFAOYSA-N 429.380 4.586 30 10 IJEE C#CCN(C(C)=O)c1cccc(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c1 2069723480 YJWKSWAOWHFGDJ-UHFFFAOYSA-N 444.441 4.747 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(Cl)cc1C 2082749177 PRZNAOPBZBDLPA-AWEZNQCLSA-N 429.742 4.656 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)ccc(Br)c1F 2102880076 KUVSIINQJOVEAK-QAPCUYQASA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@H](Nc2cc(Br)c(C#N)cc2F)C1 2106024264 QPCBDYUEMZWVJD-JSGCOSHPSA-N 426.330 4.955 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1c1ccc(C#N)c(Br)c1F 2118192886 UMHYNYZFQHYGNO-JSGCOSHPSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(OCCNc2cc(Br)cc(C#N)c2)CC1 2162417229 ZTVCHBFOHXUYRW-UHFFFAOYSA-N 438.366 4.585 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(c2ccc(C#N)cc2Br)CC1 2174813399 VPROKQGOUYRGDA-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2ccc(Br)cc2Cl)C3)OC1(C)C 2194124660 MPMXTXXRSAGKJF-BUXKBTBVSA-N 440.574 4.801 30 10 IJEE CC(C)NCCC#Cc1sc(Br)c(Br)c1Br 2212189295 JRZOLFRXQFTPJA-UHFFFAOYSA-N 430.003 4.775 30 10 IJEE Cc1cnc(N[C@@H]2CC(C)(C)CN(Cc3ccccc3)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)c1 2241048475 DQVCQAXDYOMBQO-NZQKXSOJSA-N 449.448 4.790 30 10 IJEE CCCN[C@@H](CC#CC1CC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248456914 WICQBDNWXNVQSU-QHCPKHFHSA-N 426.601 4.612 30 10 IJEE CCN(Cc1ccccc1NC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267097909 UBUOPCFAYKWRCK-ZWKOTPCHSA-N 444.381 4.864 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@H](O)C#Cc2ccc(Br)cc2)CC1 2296267042 OMDCTQKHGLZGQL-HGHGUNKESA-N 440.353 4.585 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2296268030 ZOHNWFCIUPAOGT-IJXRJRJASA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296284259 OWHOVAGIIQTECW-OSGXGRJZSA-N 433.390 4.602 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc3c(cc2Cl)OCO3)C1=O 2297315796 JQTSPVLWPOICJS-UHFFFAOYSA-N 429.881 4.612 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 2297745283 YBOSSFRNVPZSBD-QFIPXVFZSA-N 442.427 4.995 30 10 IJEE Cc1cc(CSC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320598610 XKJIEUVVKDETTF-FQEVSTJZSA-N 447.450 4.927 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cccc1OC 2322474975 ZDQKDTAWGGUMDK-UHFFFAOYSA-N 440.496 4.527 30 10 IJEE O=c1c(Br)c(NN=Cc2ccc(Cl)cc2Cl)cnn1-c1ccccc1 2322638241 XHJHOLUTAFPXRQ-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(Cl)c(OC)cc1OC 2322884161 PPHFBXCSVLCJHY-UHFFFAOYSA-N 440.879 4.958 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2325271924 BRHCQDSMCWCKFI-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c1C 2325747522 ZKBGJEVBZLJUOW-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccnc1 2326072277 WTLSBVGOTIYBED-UHFFFAOYSA-N 427.961 4.889 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(O)c1Cl 2326442482 GVVWFAJDRSDOBI-UHFFFAOYSA-N 430.961 4.999 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(OC)c(OC)c1 2326991804 OPFOWYIAUYSXDE-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE C=CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2327878658 PZOOMDMSGASIDW-GOSISDBHSA-N 439.629 4.850 30 10 IJEE CCOc1c(C=Nn2c(COc3ccc(C)cc3C)nnc2SCC)cccc1OC 2328893362 RPMZOGFEBRAKCF-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1cccc(C)c1 2330501358 MXXSSGDUXNEFDB-UHFFFAOYSA-N 449.624 4.800 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(C)cc1 2330906261 ZMZXGDVXXQTSFH-OAQYLSRUSA-N 449.580 4.613 30 10 IJEE Cn1cc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)c2ccccc21 2330959117 INFVXIOASBSTJD-NRFANRHFSA-N 435.528 4.935 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cccc(OC)c3)cc2)cc1 2331190306 RNVBXXMLWCOPHJ-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 2331571824 VFSZDOMKLRFVJL-UHFFFAOYSA-N 426.509 4.592 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)C=Cc1ccccc1Cl 2332148199 LCVJCYCDKRHJNO-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE O=C(O)C(=CC(=O)c1c(Br)sc(Br)c1Cl)C(F)(F)F 2335585390 FGBSNWDBUDSWNW-UHFFFAOYSA-N 442.434 4.683 30 10 IJEE C=CCCC1([C@H](N)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2339212714 AUDJLTPGSHCXJM-QGZVFWFLSA-N 425.367 4.661 30 10 IJEE C=CC[C@@H](Oc1cc(Br)nc(C(C)(C)C)n1)[C@@H]1CCN1C(=O)OC(C)(C)C 2360899248 UUJVUPCMCDYLTA-UONOGXRCSA-N 440.382 4.870 30 10 IJEE CC[C@H](N[C@@H]1CN(Cc2ccccc2)CC1(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845149 YODNVMYVZQNPPD-LOSJGSFVSA-N 448.460 4.937 30 10 IJEE COc1ccc(C#N)cc1OCc1ccc(I)c(Br)c1 2377290876 KBNDJEXOYSSLAC-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccccc2)C3=O)cc(OC)c1OC 2103522 XBFXTMAQVANNJB-RGVLZGJSSA-N 432.428 4.548 30 10 IJEE Cc1ccc(O)c(C(=O)C2=CN3C(=NC(Nc4ccccc4)=NC34CCCCC4)N=C2)c1 2661533 XOGAGCRGTODAIN-UHFFFAOYSA-N 427.508 4.652 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1)N2 14550307 JQTXPLHFMUZTDR-HWBMXIPRSA-N 436.577 4.884 30 10 IJEE Cc1nn(C)c(C)c1CN/C(=N/C(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 32972272 CPSSFZGVVLBIQK-UHFFFAOYSA-N 448.329 4.881 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C\C(=O)c3cc(OC)ccc3OC)cc2OC)cc1 34955302 RUKAJSVGRNBTDM-XGICHPGQSA-N 448.471 4.836 30 10 IJEE COc1ccc(N2COc3ccc4c(c3C2)O/C(=C/c2ccc(OC)c(OC)c2)C4=O)cc1 37857454 WMWMONUJAAWMIO-ZMOGYAJESA-N 445.471 4.685 30 10 IJEE Cc1cc(C)cc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)c1 38623050 BPIZRIXIDNYFQE-RBUKOAKNSA-N 430.504 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CCC(COc2nc3ccccc3n2Cc2ccccc2C#N)CC1 95084109 MYHKWQKWYMPBTJ-UHFFFAOYSA-N 446.551 4.982 30 10 IJEE CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N/c1ccc(C(=O)OC)cc1 97466738 PYYUBFNTSIZORH-LBCNESNHSA-N 445.338 4.860 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 169983451 UPNHGBYRFNKAJJ-OAQYLSRUSA-N 449.484 4.658 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccncc2)cc1C 170025756 PSUQHZIZIRGAJQ-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)c1 170187557 PGJGENNJNYQZGZ-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccncc1 170198041 SWRXBZHQZKKZQZ-LJQANCHMSA-N 440.908 4.584 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@@H]3c3ccncc3)oc12 170206435 QDMYPQSIZNSRDP-JOCHJYFZSA-N 440.455 4.928 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)cc1 170227478 PCYARYOKBWWXSL-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1ccccc1 170231642 XIHGSEJTPNOVCL-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266276 CECJNOGHLFGNKX-HSZRJFAPSA-N 447.487 4.638 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(C)o1 170303901 WKMLHPAXWLHHFI-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc2scc(-c3ccc(C)cc3C)n2n1 170514921 FYWCFHCAIHNDNR-UHFFFAOYSA-N 434.521 4.657 30 10 IJEE COc1ccc(/C=N/N=C2/S/C(=C/c3ccccc3O)C(=O)N2Cc2ccco2)cc1 210531653 AFBZLDUCXXIVJW-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE CCn1c(=O)c(C=NNc2nnc(-c3ccccc3)c3ccccc23)c(O)c2ccccc21 254862462 UXGIERYCHPUIEK-UHFFFAOYSA-N 435.487 4.783 30 10 IJEE CCN(CC)C(=O)Nc1ccc([C@H](C)NC2CCC(Oc3ncccc3C#N)CC2)cc1 437106526 HPCZCCAMIPGFFO-RHKCVOJBSA-N 435.572 4.868 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1C(=O)OC(C)(C)C 446513773 XJLGAKZZMVXGAS-UHFFFAOYSA-N 434.945 4.510 30 10 IJEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460934146 AJTPZDOKTPTKRS-RTBURBONSA-N 448.489 4.926 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)COc1ccccc1Br 475572927 QJCIFHNEHLGUPW-QGZVFWFLSA-N 447.373 4.862 30 10 IJEE C=CCNC(=O)c1ccc(NC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)nc1 524230985 XECDXKDRRASZED-UTKZUKDTSA-N 432.490 4.511 30 10 IJEE COc1ccc([C@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488500 JXEZOMZZYVVLGJ-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CC(=O)Oc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2F)c1 526743919 GXFSFUZVBLALIH-QFIPXVFZSA-N 449.409 4.673 30 10 IJEE Cc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1NC(=O)c1cccs1 536100122 YTKRXJLAVMDEIZ-UHFFFAOYSA-N 444.560 4.533 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 555264332 PWKNAPRMWALQEP-HBMCJLEFSA-N 440.588 4.646 30 10 IJEE C=CCn1c([C@H]2COCCO2)nnc1N(Cc1ccc(-c2ccc(F)cc2)s1)C(C)C 580484998 KFFRHVWAINNAOG-HXUWFJFHSA-N 442.560 4.835 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 580727258 JBFJXEIMBJKJFY-CUVVAGTFSA-N 432.568 4.837 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1=S 727430907 GRIUDLGVDNPXJS-IBGZPJMESA-N 444.004 4.536 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)C1=Cc2cc(Br)ccc2OC1 735336597 KVPVBELCGXFCRW-UHFFFAOYSA-N 434.673 4.524 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CCCOc1ccccc1Br 735345291 MEUNXDIPWLRYMV-UHFFFAOYSA-N 438.705 4.907 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(Br)cn1C(C)C 744027883 CCULEOKDMXZQOV-KRWDZBQOSA-N 430.346 4.917 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 744838944 FYEPIAQQFRSLBT-VFNWGFHPSA-N 439.899 4.893 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(Nc2ccc(OC)cc2)sc1=S 745162537 QPMGWGPNRSWEAV-UHFFFAOYSA-N 443.554 4.980 30 10 IJEE N#Cc1ccc(N2CC[C@@H](OC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)C2=O)cc1 764050407 HUIGPVZBWVRSSF-UWKDKTGGSA-N 434.801 4.506 30 10 IJEE COc1ccc([C@H](NCc2cc(C#N)ccc2F)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 774254341 QFVYVXOIYSLSAW-GOTSBHOMSA-N 439.531 4.936 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)cc1 774571481 UFOBHBHBVKBHQY-MRXNPFEDSA-N 447.457 4.557 30 10 IJEE CC(=O)N(c1ccc(F)cc1)c1nc(COC(=O)C2(c3ccc(C#N)cc3)CC2)cs1 781393512 YLPXOXKYRBAJRH-UHFFFAOYSA-N 435.480 4.613 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(C)C(=S)N[C@@H]1c1ncc(C(F)(F)F)s1 788478643 MSLVPWIZFAYCHM-ZDUSSCGKSA-N 431.892 4.677 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F 789723625 ZGXAOUIUDYNQCU-UHFFFAOYSA-N 432.561 4.959 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CCCN1C(=O)OC(C)(C)C 792531790 MPFPIVVFKIQPAH-VWLOTQADSA-N 441.572 4.515 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(F)cc1 812751137 LBPPJEGYIKWCPG-KRWDZBQOSA-N 441.256 4.538 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 1126052860 CMPKMLWLNCXDLV-SWLSCSKDSA-N 444.354 4.765 30 10 IJEE COc1ccc(C2(CNC(=O)c3cc(-c4cccc(C#N)c4)no3)CCCCC2)cc1OC 1126235494 BCFDQAMQRLMYQE-UHFFFAOYSA-N 445.519 4.862 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CCCN1C(=O)OC(C)(C)C 1128206634 ISZLFCHNWFZDJF-IPVFLDMMSA-N 442.600 4.832 30 10 IJEE CC(C)(C)OC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccc(Cl)c(C#N)c2)CC1 1135052049 DOXQEEXYWGVTCH-UHFFFAOYSA-N 445.869 4.616 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 1141708039 RNBPHLQWQBYPNV-OXJNMPFZSA-N 436.980 4.858 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC(F)F 1159427877 WWSXDDITMBJIKV-HXUWFJFHSA-N 448.897 4.808 30 10 IJEE C[C@H](Nc1cc(Br)c(C#N)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1163941905 CTDJJSVVUZQQOB-LBPRGKRZSA-N 426.330 4.907 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccccc1CN1CCC[C@H](C)C1 1177256397 FAUYESYRTCMBTJ-IBGZPJMESA-N 441.413 4.983 30 10 IJEE Cc1cc(N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)n2c(nc3ccccc32)c1C#N 1186247885 HAGWDCHBZPELMO-GOSISDBHSA-N 433.556 4.799 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccc(C(F)(F)F)cc1 1188470371 OXUJQQUFPYRUNM-OAHLLOKOSA-N 445.459 4.633 30 10 IJEE C=C(C)CCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1 1197350983 FPLVYHVZWCMXPI-UHFFFAOYSA-N 449.548 4.736 30 10 IJEE CC(C)(C)OC(=O)c1cccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 1197701352 DPZVOQXOHGKGEM-UHFFFAOYSA-N 448.548 4.883 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)CN(C)C(=O)OC(C)(C)C 1199267327 GIUKOHSCXYWHFY-QGZVFWFLSA-N 438.528 4.975 30 10 IJEE Cc1cc(C(F)(F)F)nn1CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1203838731 FCMDGUNPJJHXPA-UHFFFAOYSA-N 429.402 4.696 30 10 IJEE C#CCN(C(=O)N[C@H](C1CCCCC1)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1216774894 LFPNSLTYVIDTLT-GOSISDBHSA-N 445.526 4.542 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)cc(OC)c1OC 1264831006 GHIVDAXGWLCFPE-UHFFFAOYSA-N 448.485 4.981 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCCc1nc(C)cs1 1286379778 CCNUAIDAMRQQMO-UHFFFAOYSA-N 425.627 4.736 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCn2cc(C)nc21 1286454030 FCBCZCNVECYMJJ-RXVVDRJESA-N 434.563 4.653 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)c1ccsc1 1286568296 SJAMFCYFFRVDHM-SBUREZEXSA-N 444.576 4.929 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCC(C)(C)C2)CC1 1286637278 ANPJKHNVVCHBGU-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286667374 JLPJOBIDYQQCGP-SFHVURJKSA-N 443.039 4.906 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1286671139 PMOLAOGMCHUCNP-FQEVSTJZSA-N 425.577 4.505 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@H](C)C1 1286747299 HZHRENXQAJVZEP-UYAOXDASSA-N 433.581 4.886 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286771438 QRHNXQFFOUBVLN-BETUJISGSA-N 441.320 4.630 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2CCCc3nn[nH]c32)ccc1Oc1ccc(C(F)(F)F)cc1 1294110657 BQJHVTCJVMTQEF-INIZCTEOSA-N 427.386 4.546 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CCC(C)CC1 1299800354 CANHZXQXUHKKHO-FZQSFKQPSA-N 439.629 4.742 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1CCC(F)(F)CC1 1300293821 SHIRLBHYCZYPKB-CQSZACIVSA-N 437.332 4.991 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCCN1CCCC[C@@H]1C 1300563384 HYZMQOUILXSFMI-QFIPXVFZSA-N 443.595 4.809 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C 1300746762 UVWMQONKQNGEKF-RTBURBONSA-N 442.629 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@H](C)C1 1300797964 IUJMBWCRQJLXLY-HYFFOGBASA-N 443.389 4.515 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(F)F 1300872599 BOCOPUWYVIXXNG-DYESRHJHSA-N 427.499 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1300881649 QBEDRFMESDVFLA-LEEZEASISA-N 449.599 4.578 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC=CO2)CC1 1301111816 GDWDHROYZWYORZ-IBGZPJMESA-N 429.362 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301144011 SNMMSFZWDXUBTL-WOJBJXKFSA-N 448.970 4.724 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)(C)C)CC1 1301202720 OTWLMQJBRHXSBU-SFHVURJKSA-N 432.012 4.958 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1301209232 PFQHDYHNHWPEKI-HNNXBMFYSA-N 429.874 4.507 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cnn(CC)c1 1301211921 OCHPEEFPSKLJGR-UHFFFAOYSA-N 429.366 4.527 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc(Br)cc2C1 1301221747 OCFVUBCGZNRALU-IBGZPJMESA-N 431.378 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(C(=O)NC)c1 1301278780 QRDBUNRUYJFYNH-UHFFFAOYSA-N 449.624 4.500 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC1CCCC1 1301293667 GBUNULYDBLFZJV-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@@H](C)C1 1301346478 CZVYAKYHRBBUEZ-OAQYLSRUSA-N 430.600 4.573 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)c1ncc(C)s1 1301371423 CQBTWKIPJDKFGZ-CYBMUJFWSA-N 447.406 4.783 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301601204 OGWTVRKJJLBVPM-OAHLLOKOSA-N 441.479 4.551 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(=O)OC 1303687472 QOKXCQYHEOOJEU-UYAOXDASSA-N 446.341 4.583 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2CC)C[C@@H](C)O1 1306449499 HYWXJOHCWMLMJN-PSWRPDDJSA-N 437.588 4.559 30 10 IJEE CCOC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1307673663 BSGKBWKDNFQFLV-GOSISDBHSA-N 427.504 4.691 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)c1 1310257174 PAUYFQUOHAKJQC-IYBDPMFKSA-N 431.458 4.622 30 10 IJEE C#CCN(C(=O)N[C@@H](C)Cc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1311793417 STGVBBRILPLWBQ-LAUBAEHRSA-N 441.369 4.857 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 1311903889 GXPIBTRPRDVDLC-XMMPIXPASA-N 441.019 4.859 30 10 IJEE C#CCN(C(=O)N[C@H](C)C1CCC(F)CC1)[C@H]1CCOc2ccc(Br)cc21 1313083049 LVYANGJEHDBWDJ-QCNKBUPASA-N 437.353 4.834 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)c3ccc(OCC(=O)OC(C)(C)C)cc3)c2C#N)C1 1349771910 GIZSUEBMGSKROO-AWEZNQCLSA-N 426.538 4.717 30 10 IJEE C#CCN(C(=O)COCc1cccc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1353635626 UCYFJUQJCSIXTJ-IBGZPJMESA-N 448.744 4.605 30 10 IJEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1358934586 GHAJXOKNUBXPFD-GOSISDBHSA-N 439.560 4.559 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(C)cc1C 1358942102 JGKSLDRFFLTUKO-UHFFFAOYSA-N 429.387 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1cccc(COCC(F)(F)F)c1 1358993255 IZHAAEJFMDCUFJ-UHFFFAOYSA-N 444.501 4.526 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCCC2)C1 1359049195 KEQVKIFTQKOHMG-SFHVURJKSA-N 428.577 4.694 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@@H](C(C)C)N(CC=C)CC=C 1359068409 ZGLPMJYVRSFRRS-RPLLCQBOSA-N 431.628 4.944 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359104231 ZJESHNCMLFCDCP-BJLQDIEVSA-N 426.527 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn2ccsc2n1 1359107432 MEAPHWFILWOLPZ-MRXNPFEDSA-N 440.548 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N1CCCC1 1359109261 UQHYJHBVDKNGLS-JOCHJYFZSA-N 430.556 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(C#N)o1 1359109573 GPMKFTQUTLNUQA-UHFFFAOYSA-N 435.528 4.656 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCCN2CC)CC1 1359160711 ASRDQRNSFROQFE-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CCCCC1 1359201049 AMPZKOXWCKQSDG-UHFFFAOYSA-N 444.649 4.611 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(OC2CCCC2)CC1 1359219797 DBFBACCKJTZDDU-UHFFFAOYSA-N 428.552 4.890 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1359224597 WZRHFUWMAGHEFP-NRFANRHFSA-N 434.371 4.975 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCOCC1 1359258801 CCBANFSOGQQLPQ-DHIUTWEWSA-N 438.616 4.816 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1359276343 ZPAWJIIVAKYCNU-DEOSSOPVSA-N 426.561 4.521 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CC=C(C(F)(F)F)CC1 1359308954 DEEXBAZXVAENSJ-UHFFFAOYSA-N 443.473 4.596 30 10 IJEE COc1ccc2oc([C@@H](C)NC(=O)COc3ccc(C#N)c(Br)c3)c(C)c2c1 1359916544 DDPRRJOHCMSYCN-CYBMUJFWSA-N 443.297 4.640 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 1360643949 HSXDTYOMHLLOOU-FQEVSTJZSA-N 448.332 4.974 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1 1435622614 TWSIRIIYVJNXPA-CTNGQTDRSA-N 430.470 4.878 30 10 IJEE C=CCc1ccc(OCC(=O)O[C@@H](C)c2cc(Br)cc3c2OCC3)c(OC)c1 1436214559 OFGMROAMWYXPHU-AWEZNQCLSA-N 447.325 4.804 30 10 IJEE N#Cc1cc(NC(=O)c2nc3ccccc3cc2Br)ccc1Br 1436559031 AWXCWMHJEZEFCN-UHFFFAOYSA-N 431.087 4.884 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Oc1ccc(NC(=O)c2ccsc2)cc1 1443566280 GKVXKIWGVLNOSV-UHFFFAOYSA-N 445.500 4.970 30 10 IJEE C=CCCC1(CNC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CCCC1 1461527828 LBZSRSVQCHBNNY-KRWDZBQOSA-N 433.390 4.753 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(Cl)c(Br)cc1OC)c1ccccc1 1463274597 NBAMPIMIHPLPOI-XMMPIXPASA-N 428.735 4.964 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1 1466788086 AQUXKVLLAQWXPJ-LJQANCHMSA-N 430.524 4.587 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F)C1CCOCC1 1469112946 LYPHBGYCHYIYEU-YADHBBJMSA-N 430.520 4.504 30 10 IJEE C=C(C)CN(C)C(=O)c1ccnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1470286883 SQPAZMXYVVRBIT-UHFFFAOYSA-N 441.531 4.768 30 10 IJEE C#CCOc1cccc(Cl)c1CNC1CCN(Cc2ccc(Br)cc2)CC1 1474065092 DVIJXLFJSKPERV-UHFFFAOYSA-N 447.804 4.869 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](c2ccco2)N(C)C)cc1 1497901195 DWWZUXTZGZOELM-JOCHJYFZSA-N 432.572 4.533 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1499459443 DOEJLOXRLCFXMZ-OAQYLSRUSA-N 434.613 4.779 30 10 IJEE CCOC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@H](C)CC#N)CCCC1 1502750410 BRRKVKQHMBISPJ-MRXNPFEDSA-N 446.393 4.795 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cn2ccc(C)cc2n1 1507516815 MXMVYXTWKXFBCL-MSOLQXFVSA-N 448.958 4.534 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1507557643 ROXRCLLOUUCXIR-PZJWPPBQSA-N 440.563 4.614 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(COc2ccccc2)CC1 1507580578 HTLZXCOYRPLYKT-UHFFFAOYSA-N 435.959 4.702 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1sc(C)nc1C 1507619191 XRHFTIKJOXLRAA-UHFFFAOYSA-N 437.613 4.674 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1507746359 PPDXNDQPQZTFAW-LJQANCHMSA-N 434.531 4.885 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS[C@@H](C)C1 1507746604 DQURYBADCDRWSO-IBGZPJMESA-N 444.670 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C)CCCC1 1507764802 UIRPSZONLOLSTL-RUZDIDTESA-N 438.572 4.543 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1507837159 JRTXOSHGURDBGX-NVXWUHKLSA-N 436.398 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCCCS2)CC1 1507879933 YWMXJAVXQDFDLM-IBGZPJMESA-N 428.602 4.795 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1507882043 CZIFEYULZFESRU-UHFFFAOYSA-N 433.556 4.651 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](OCC)c2ccccc2)CC1 1507903425 DBBKOVBJCZSGIU-JOCHJYFZSA-N 437.613 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(CC(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1507919360 DHYMMFPOHCFXBM-UHFFFAOYSA-N 443.586 4.738 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1507929952 SWTZWUWMYYEEPO-LZTCXMBHSA-N 438.616 4.771 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCOC1 1508008499 PBFNOYNHUGPJAF-GOSISDBHSA-N 426.561 4.689 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1508021347 RSLMYVFMCHJDFD-UPVQGACJSA-N 435.641 4.966 30 10 IJEE COCCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1518979340 BJRWZIFACHEPBU-DEOSSOPVSA-N 437.588 4.681 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1521818307 CQAHEDKOMIKPRL-AUUYWEPGSA-N 448.744 4.855 30 10 IJEE C=CCCc1ccccc1NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1524346500 FYYMMSQRSAGVKU-UHFFFAOYSA-N 441.325 4.583 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccnn2Cc2ccc(F)cc2)s1 1526672996 AMRJNYBNRIFMAZ-UHFFFAOYSA-N 436.965 4.861 30 10 IJEE CCc1c(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)nnn1Cc1ccc(F)cc1 1527162746 BLVMJOLEAKPATK-UONOGXRCSA-N 437.544 4.899 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC 1529953729 RDSZRXWQUNWHMN-PEBGULEFSA-N 434.580 4.785 30 10 IJEE N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 1531594036 HEXJMUCMAXKUER-NRFANRHFSA-N 433.870 4.553 30 10 IJEE C[C@@H](OC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1ccc(C#N)cc1 1533618404 AYSWCAXAPSCRCK-CYBMUJFWSA-N 426.398 4.953 30 10 IJEE C#CC[C@H](NC(=O)Cc1cc(OCC)c(OCC)cc1Br)c1ccccc1 1535926339 RYTITDCMGLGYEK-IBGZPJMESA-N 430.342 4.670 30 10 IJEE COC(=O)c1cccc2c1CCN2C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 1536348192 BYFOAZYEYSSOCL-UHFFFAOYSA-N 432.863 4.993 30 10 IJEE C=CC(C)(C)CC(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1538295265 WZYFZGBGWBFWSV-RTBURBONSA-N 428.573 4.745 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(C)noc1C 1538973973 QLLWLOKJIIOAQL-GFCCVEGCSA-N 425.945 4.924 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCOC[C@H]1C 1538985985 HISIPIGIJXXLCY-AOIWGVFYSA-N 438.572 4.943 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1539250364 MGZHNQWTRVKQCM-IYARVYRRSA-N 436.346 4.838 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1Cc1cscc1C(F)(F)F 1539319840 IGSUGMJYOSWXPE-UHFFFAOYSA-N 428.483 4.845 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC1(OC)CCC(C)CC1 1539334173 VQMONRKGHLNQJL-UHFFFAOYSA-N 448.611 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@H]1OC 1539656092 SUZNOBVDCCQTBQ-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCCN(c2ncccc2F)CC1 1539925860 DRTIEQQJVCLWCZ-UHFFFAOYSA-N 440.611 4.864 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1539962721 ATKHLJVDIADMNQ-UHFFFAOYSA-N 435.616 4.573 30 10 IJEE C=CCCCCn1c(N(C)OC2CCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539975159 NEIZCBYRJSVOPD-HDICACEKSA-N 433.597 4.716 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](SCC)C1 1540911742 ALRNITJMNYVNGJ-SFHVURJKSA-N 446.642 4.705 30 10 IJEE CC(C)(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CC[C@@H](F)C1 1541151741 CMBCMQPZOQQLMV-RBUKOAKNSA-N 425.552 4.633 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)c1 1542177501 NIVUAQMJFZPFFA-UHFFFAOYSA-N 435.501 4.537 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)C[C@@H](C)S1 1544746568 ASFIENQXFVBSIC-OKILXGFUSA-N 430.002 4.910 30 10 IJEE C=CCC[C@@H](NC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccccc1 1545981462 STFIVJJEZGUOFE-HSZRJFAPSA-N 442.625 4.721 30 10 IJEE C=CCCC[C@@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)OC 1558380146 BGDTWJGRKQTUAN-OAHLLOKOSA-N 427.353 4.674 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2=O)c1ccc(-c2cccc(C#N)c2)cc1 1561460208 ARHUAOQSEVIYNY-QGZVFWFLSA-N 430.529 4.784 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N(c1ccsc1)C1CCCCC1 1561521999 DQOKSEKODNXMQY-UHFFFAOYSA-N 425.373 4.910 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 1562929537 YIBKJKGGWXEMCO-WMLDXEAASA-N 436.350 4.858 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1)c1ccc(C(F)(F)F)cc1 1564407232 ZIXQHRGIBNKNKE-MOPGFXCFSA-N 437.506 4.659 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cnc(Br)c(OC)c2)C(C)(C)C)cc1 1585443273 LFASAICZFSLPJD-UHFFFAOYSA-N 433.346 4.858 30 10 IJEE C#CC[C@]1(C(=O)N(CC)Cc2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1585895966 OCRINXHMINECRV-JOCHJYFZSA-N 449.389 4.591 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1csc(C)n1 1587598920 IXXHWRMMTXKAIQ-GOSISDBHSA-N 437.613 4.836 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1587719144 UOHHLRSFPYGWFH-OAQYLSRUSA-N 445.430 4.845 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1587758855 IGQYPALVHCJYSG-SGNDLWITSA-N 436.600 4.927 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1588289092 XEEPVXLRPFAUDZ-UWJYYQICSA-N 445.007 4.908 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N 1588984867 LCIUVXDZAHKPJZ-QZTJIDSGSA-N 446.020 4.793 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@@H]21 1589124528 ABJPOXPAAYKABE-MXEMCNAFSA-N 430.662 4.722 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1 1589567871 GLVFKVLGVQJHKV-URXFXBBRSA-N 449.599 4.585 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(C(=O)OC)CC1 1589742542 SVUNZTYIJBOOOL-UHFFFAOYSA-N 440.544 4.778 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2csc(CC)n2)CC1 1594036137 PSXDAGXKJXQLDH-UHFFFAOYSA-N 431.512 4.770 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCC2CCOCC2)CC1 1594064476 OCCBJSNQEXWLIQ-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccsc1 1594628137 ZISMJBAYKZZDRU-UHFFFAOYSA-N 437.617 4.506 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1594698588 SLOPKBDQAIAOSC-UHFFFAOYSA-N 428.483 4.579 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(C)(C)C)CC1 1594789010 XPMNDWLEPSIDTK-QHCPKHFHSA-N 439.648 4.723 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CCCN1CCCCCC1=O 1595196286 OQHJSPYIZVJNMZ-UHFFFAOYSA-N 427.980 4.570 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)nc1 1596124553 GKPALFHVNSTEQS-UHFFFAOYSA-N 431.452 4.740 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(Br)c1 1597317124 BPWIELXDXRWPGK-CQSZACIVSA-N 431.396 4.719 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(CC2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1598235725 GVLMWUBKHKTVSJ-SANMLTNESA-N 433.600 4.583 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)N2CCC[C@H](C)C2)cc1 1613778474 ANPTYXWNOQYAEM-LZCXECNNSA-N 434.632 4.758 30 10 IJEE N#Cc1ccc(CN(C[C@H]2CCC[C@H](C(F)(F)F)O2)c2ccc3nc(O)[nH]c3c2)cc1 1615984259 OTVLKPPWKYYYOD-YLJYHZDGSA-N 430.430 4.647 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 1622127010 UIWUCYVTRAUJRT-VXKWHMMOSA-N 447.000 4.651 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC 1623835009 KKMDPTLOVOSISQ-UHFFFAOYSA-N 440.450 4.768 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1626127191 BGEZYOZKTGZJFB-BPQIPLTHSA-N 426.479 4.650 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(NC(=O)OCC(C)C)c3)n[nH]2)c1C 1631092180 DRIMVBOFPNLTPW-UHFFFAOYSA-N 436.516 4.533 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)C1CCN(C)CC1 1633776551 FIVZVNSXJCPVLC-IFMALSPDSA-N 435.534 4.861 30 10 IJEE C=C(CNC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1635927840 KOWNAKAVIILVSD-NRFANRHFSA-N 427.589 4.959 30 10 IJEE C=CCCC1(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CCCC1 1640401155 VHJBNOOYQZYDNH-UHFFFAOYSA-N 430.545 4.883 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1F 1640462805 BQDXAILGISRHNP-UXHICEINSA-N 435.326 4.768 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(C(F)(F)F)c3cn[nH]c3c2)CCCN1C(=O)OC(C)(C)C 1645014214 FDYAMPIAPXDUGU-HXUWFJFHSA-N 438.450 4.866 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C\Cl 1646518050 RPMVTKTUEUDMQT-JLXOPUERSA-N 445.346 4.905 30 10 IJEE Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 1652569303 DKHOKQWDDLYTMS-SECBINFHSA-N 445.369 4.721 30 10 IJEE C/C(=C/c1ccccc1OC(F)F)CNc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1658569782 JSBGDUMXEOMUED-OESPBJEVSA-N 449.523 4.616 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)c1ccc(OC)cc1OC 1662577316 NIVLPJMVHXDSFE-ZDUSSCGKSA-N 435.318 4.914 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(C)C 1665700048 AEEOIBKCMFSSKW-RXVVDRJESA-N 439.431 4.570 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)cc1 1667589526 KKXXAARLIWJAGG-UHFFFAOYSA-N 433.483 4.898 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1676585188 VBUZYZHVFMBZAE-UHFFFAOYSA-N 437.584 4.694 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1 1678087358 DZKGJDCSTPSJLI-OAQYLSRUSA-N 435.524 4.702 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCOC)Cc1cc(Br)cs1 1683289180 OQNFNDNBIAKXJI-SFHVURJKSA-N 437.403 4.856 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1)c1ccc(Cl)cc1 1683502932 YEONSUNZYDEEOB-GCJKJVERSA-N 438.959 4.566 30 10 IJEE C[C@H]1Cc2cc(CNC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)ccc2O1 1685048604 FRUJJNRBUVTFKN-SFHVURJKSA-N 429.495 4.933 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1690065101 KVHMDAPSMBPDDK-QUCCMNQESA-N 445.405 4.618 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690088824 XRNZBXDYOLGGNL-KRWDZBQOSA-N 437.588 4.810 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1690156583 YZZYMELKFZYXFG-PKOBYXMFSA-N 428.602 4.517 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1690157275 CCTSVRTVWXFIHS-OFNKIYASSA-N 426.655 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(Cl)s1 1690196410 JIROECXIAGDHTL-HXUWFJFHSA-N 427.917 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](C)Oc1ccc(Cl)cc1 1690203003 NJHZDZBOHHDYPC-MHECFPHRSA-N 435.959 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC(F)(F)CO1 1690256642 QWKIZAALPWQADG-QAPCUYQASA-N 440.922 4.898 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2C[C@@H]2C)CC1 1690402927 VNYXHAWMFCBFJR-HOCLYGCPSA-N 431.378 4.775 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1690517726 MJRIFEDOSAXTMV-GOSISDBHSA-N 433.547 4.537 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1Cc1occc1C)C1CC1 1690538607 KPLVOWFZRKZKGX-UHFFFAOYSA-N 431.309 4.951 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1cnccc1OC 1690571620 DGAVAFCDLCCRTG-UHFFFAOYSA-N 435.547 4.794 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC(C)(C)C1 1690747297 XOQICPAPCTXYJI-YLJYHZDGSA-N 428.602 4.582 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCSC1 1692821658 FGDSTJZXHYYPSU-SJLPKXTDSA-N 446.020 4.955 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)s1 1693078334 CONVUBTZASMARX-JOCHJYFZSA-N 448.640 4.944 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@H](C)[C@@H]1C 1705536432 HVOMHVPMSBVCLU-RBUKOAKNSA-N 447.048 4.995 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705655417 MBOIVKFXSMZNAW-IEBWSBKVSA-N 446.567 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)SC 1705670582 AWXYDHJABNXLBQ-ORAYPTAESA-N 437.382 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(OC)CCCCC1 1705716558 OCGSDMKXWPHLHE-NRFANRHFSA-N 426.561 4.542 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2cc(Br)ccc2OC)CC1 1705781287 VJSQDCFNWRZKQY-UHFFFAOYSA-N 433.394 4.797 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705801024 QNRPJKNOUBFCNC-ROUUACIJSA-N 430.980 4.826 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H](C)C#N 1705801387 DGORCZAQJLJAFL-HNNXBMFYSA-N 432.366 4.668 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1705801981 XUKWGWCDVBZSSV-LJQANCHMSA-N 433.556 4.547 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1705825161 LKFNJIFEHQGUKV-SQJMNOBHSA-N 437.588 4.758 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1CC(C)(C)C1 1705882472 YEVXMSCVJGPHDX-UHFFFAOYSA-N 439.423 4.844 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC(C#N)CC1)c1ccco1 1710019475 FQYMTQUGKMTRRN-JOCHJYFZSA-N 432.572 4.670 30 10 IJEE COc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1C[C@@H]1CCO[C@@H](C)C1 1711947416 DKLRFFYBJHTFIN-VQTJNVASSA-N 425.577 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1722280991 YXFWWGJLPBFTEC-DDUZABMNSA-N 442.336 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)CCOC 1722304226 VXFODCXQUSVNLU-OAHLLOKOSA-N 439.387 4.685 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC[C@](C)(CC)O1 1722356305 LQFSMMGOXPAEQG-RDPSFJRHSA-N 445.007 4.669 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC[C@H]1CCCCO1 1722414913 FWTNHEXOUKSBOV-JOCHJYFZSA-N 438.616 4.963 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@H]1CC 1722499226 HZZGAEZLCQDWOH-LJUYRKFLSA-N 430.637 4.803 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(O)CCCC2)CC1 1722570224 XQADMFFMNCGOOZ-UHFFFAOYSA-N 437.371 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(C)C)CC1 1722589817 XTLAEKVJVSRIKG-UHFFFAOYSA-N 439.648 4.595 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)c1ccccc1 1722597078 QDNXSHKKRAHHGT-DHIUTWEWSA-N 434.588 4.521 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CCC(N)=O)CC1 1722606527 BCVSHNMYXUQMSH-KRWDZBQOSA-N 441.645 4.580 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ncc(CC)s1 1722608211 YMQKUHNRACATES-UHFFFAOYSA-N 438.601 4.769 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1722614308 JCGCDGGTVRFXOD-VQTJNVASSA-N 448.615 4.914 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722636494 ISFWMFFTOAMIPC-UHFFFAOYSA-N 443.979 4.788 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](c1ccsc1)N(C)C 1723151529 HEBVMWLLESOUSP-QHCPKHFHSA-N 446.624 4.931 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)SC 1740539030 MGVRXZHUWQAVDP-VXGBXAGGSA-N 427.799 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)CN(C)C 1740540954 OXNBSZNGRFNYJV-KRWDZBQOSA-N 439.604 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccccc1Cl 1740776184 RADIXPKVANXNJA-JOCHJYFZSA-N 431.005 4.894 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1740821013 ZYPRVIDBXUVGKD-QGZVFWFLSA-N 439.947 4.626 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1740840726 KDVSLAISRJYJGB-WXVAWEFUSA-N 435.660 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1740844232 FYNAOTWHUZYJHW-SJORKVTESA-N 428.577 4.808 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1740850719 JQXQMWURUMJQFF-UHFFFAOYSA-N 439.648 4.942 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1740896397 SBGDYFITPMVEAZ-UHFFFAOYSA-N 434.632 4.817 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCc1cccc(C)n1 1740929469 VUBWGDKZRVDCMH-UHFFFAOYSA-N 438.373 4.832 30 10 IJEE CCCCn1cc(Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@@H](C)C#N)c(C)n1 1745482671 AZXAYXIMTIHBNO-KRWDZBQOSA-N 431.544 4.641 30 10 IJEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2cccs2)cc1 1748720054 FZSVLTUGJQLDIT-XMMPIXPASA-N 435.597 4.506 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccc(F)cc1)C1CC1 1748734613 JNAOYHRZYFJKDF-UHFFFAOYSA-N 442.336 4.757 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1748740014 KAGGIXGMVUUFGE-FQEVSTJZSA-N 440.588 4.550 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1748740016 KAGGIXGMVUUFGE-HXUWFJFHSA-N 440.588 4.550 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1c(C)noc1C 1748918592 KVEFCOAQLRXBFL-CQSZACIVSA-N 442.361 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](CC)OC 1749058600 MAYBIHJTXYDVAZ-UQBPGWFLSA-N 434.540 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(OCc2ccccc2)c1 1749156082 QXWMLTVKTPQBMY-QHCPKHFHSA-N 447.583 4.944 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1749280516 KMTIZZYEYDEMCC-UHFFFAOYSA-N 426.870 4.925 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)OC)CC1)c1ccccc1 1749383415 WRZVBWADDAHAIE-NRFANRHFSA-N 434.540 4.596 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1749429232 JMZGDMLMKVWAAT-XWGVYQGASA-N 437.632 4.975 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1C[C@H]1CCC2(C1)OCCO2 1749528607 WJFSDNSWZTVPSN-CTNGQTDRSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCn2ccnc21 1749531444 KSMZKZIQTORHKV-UGKGYDQZSA-N 429.572 4.630 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCc1nccnc1C 1749550693 HFCXWYWRADVILT-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C)nc1 1749590880 IEVJEKSQVNPKPW-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1749590935 JKXRTLSAXAGFRT-UHFFFAOYSA-N 443.592 4.631 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC=C(C)C1 1749690635 ZPXBDOZDYGKAOP-FYYLOGMGSA-N 436.600 4.966 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760276619 KAKYZOOMROJOGF-AEFFLSMTSA-N 433.021 4.988 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C(C)C)C1 1760302966 WTZVOOONXQYREX-CQSZACIVSA-N 439.785 4.998 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC1(C)C 1760305790 RGUVBSSODCSVEH-UHFFFAOYSA-N 428.334 4.888 30 10 IJEE C=C(C)Cn1c(N(Cc2cccc(C)c2)Cc2ccco2)nnc1[C@]1(OCC)CCOC1 1760349524 ODALEBAHUFAPNF-VWLOTQADSA-N 436.556 4.615 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760367338 HPUVQUQYAGHFER-UHFFFAOYSA-N 431.371 4.773 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCC(=O)N(C)C)CC1 1760383587 UUNUIFWUVVNRQJ-UHFFFAOYSA-N 444.004 4.838 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[C@@H](O)C1 1760419261 MSKOCXHAKYRPKB-DXBBTUNJSA-N 432.653 4.930 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@H](CC(N)=O)C1 1760431973 FBKXBHLJQHBMOI-OAHLLOKOSA-N 444.004 4.871 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)nc1 1760483828 DKRWAFVYUVCYFU-LJQANCHMSA-N 427.911 4.558 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](F)(C#N)C1 1761553133 DKZQMCQBGMBLQG-OPAMFIHVSA-N 433.478 4.815 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CC1 1768165196 DEQILNPEMXWBEO-QFIPXVFZSA-N 441.988 4.975 30 10 IJEE COC1(Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@@H](C)CC#N)CCC(C)CC1 1768233561 HKUMRILPPIZDQV-CMAULLTDSA-N 434.588 4.615 30 10 IJEE CCc1ccc(C=NNc2nc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)cs2)cc1 1772721192 OJLNKRPMLSLVPR-UHFFFAOYSA-N 442.610 4.849 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861210093 HBBIODBDOHLMKF-UPVQGACJSA-N 429.649 4.660 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Cl)c1 1862402687 FEGCYIBWLXRPHY-OAQYLSRUSA-N 443.927 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1Cl 1862442485 FGQZCEOFJJGMRF-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cc(Cl)cc(Cl)c2)c1 1862498361 GJYKWJAHMYAYAM-YJYMSZOUSA-N 434.319 4.569 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862702569 GLYSBRVPULHYPG-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 1862749327 VZVHRXCKTLFFIO-YFZFPPMRSA-N 438.455 4.891 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863105944 OIGPPYYSVGBVBX-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCc3cccs3)C2=O)c1 1863172911 DDTAJLMVLMKLKQ-UHFFFAOYSA-N 433.920 4.708 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccs2)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 1863486186 XYBDWENOJJCCKW-UHFFFAOYSA-N 429.545 4.781 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1c2c(nc3ccc(F)cc13)CCC2 1866272996 SENIYUJCEXSHKI-UHFFFAOYSA-N 429.430 4.526 30 10 IJEE Cc1cccc(C)c1OCC(=O)Nc1c(C#N)nnn1-c1ccc(Oc2ccccc2)cc1 1870160247 IGJZWXGEZBXLNQ-UHFFFAOYSA-N 439.475 4.566 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCC(O)CC1 1870625810 UDYOGBHXOXWSJA-UHFFFAOYSA-N 444.591 4.884 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1ccc(C)cc1C 1871191301 UKMYPPLMCBWZFZ-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE COc1ccccc1CNC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871434279 LTKHHGCBHXSZEM-CFRMEGHHSA-N 443.499 4.623 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871883637 HPIMVZGLWZLKEM-HXUWFJFHSA-N 444.597 4.523 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871966261 LORCSSKGAOGCAA-OAQYLSRUSA-N 432.561 4.591 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1cccs1 1872453794 NANGSRKYUDTVHX-GOSISDBHSA-N 426.991 4.550 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872505862 ZAULWENQQVPRFB-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872549977 LNHNXWDWZNMEGB-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872786971 XSMGFDMTFMGICO-VQIMIIECSA-N 443.528 4.596 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(O)c(OCC)c1 1874261399 RJBUQBCZFAUEBH-WYMPLXKRSA-N 448.495 4.624 30 10 IJEE CCSc1nnc(CCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874403150 PPFCZVHMJLJREO-FYJGNVAPSA-N 431.359 4.526 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)c1 1874420700 ZRYRZWCXXSWIOJ-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cccc(Cl)c1 1874504622 WCWRKTOQNBOVFE-YDZHTSKRSA-N 427.961 4.805 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1C 1874528338 DASUTJJBRVZTMY-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2ccc(CC)cc2)cc1 1874536855 ZNEJXRYICNEIRX-MFKUBSTISA-N 437.569 4.632 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Br)cc(OC)c2OCCCO)cc1 1874577742 CTRHTDKLOVHJDV-JXMROGBWSA-N 435.314 4.514 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)NCc1ccccc1 1874608640 ZGPAKHVLRQIWDW-ACCUITESSA-N 435.907 4.940 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875096335 JAGSFZBIXCKVCG-RUCTVCJSSA-N 432.472 4.838 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)cc2)c1 1875145563 MVNVQROXHLGOET-GXDHUFHOSA-N 448.471 4.593 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3sccc3Br)cc21 1889488148 GJEVENMAJYGHQQ-UHFFFAOYSA-N 435.343 4.701 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CNC2CC2)c1Cl 1914945785 CBZXBCOCRCLAIE-UHFFFAOYSA-N 425.381 4.622 30 10 IJEE C=C([C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[Si](C)(C)C 1923027914 UNXIMWLWZRTMFR-RDGATRHJSA-N 445.724 4.958 30 10 IJEE Cc1cc(C#N)ccc1[C@]1(C(=O)O)C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 1952773553 XLWFXZUOAAIOQP-SHQCIBLASA-N 438.483 4.500 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)c1c(Br)cncc1Br 1959986364 WJSDJUQPEKUGGT-QGZVFWFLSA-N 426.152 4.640 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1988846530 KGEQLZZHPYWGJL-AUUYWEPGSA-N 435.487 4.715 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815224 DLMHACIRALUGPL-GOSISDBHSA-N 429.881 4.782 30 10 IJEE C=CCn1c2ccccc2n2nc(C)c(C(=O)C=Cc3cc(OC)c(OC)cc3OC)c12 2053589795 WYVBNZMFVRRBKF-UHFFFAOYSA-N 431.492 4.705 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2057574606 XNVZTSURPKFCPN-KEWLPNKHSA-N 443.544 4.728 30 10 IJEE Cc1ccc([C@@H](n2nc(C)c(C=NO)c2I)C2(C)CC2)c(F)c1F 2079857188 YINFPWDSDQDAAZ-OAHLLOKOSA-N 445.251 4.580 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(F)c2F)C(C)C)c(I)c1C#N 2079860276 FIHQMFUQPCZKIV-MRXNPFEDSA-N 429.252 4.754 30 10 IJEE CCc1nn([C@@H](CC)c2ccc(OC(C)C)cc2)c(I)c1C=NO 2080112658 HYKDEUXWEIOFSO-KRWDZBQOSA-N 441.313 4.645 30 10 IJEE Nc1cc(-c2cc(F)ccc2C(F)(F)F)nc2c(Br)c(C(F)(F)F)nn12 2081237852 TUYQWIVLAFOKEU-UHFFFAOYSA-N 443.120 4.918 30 10 IJEE C=CCC1(Nc2cc(C)c([N+](=O)[O-])cc2Br)CN(C(=O)OC(C)(C)C)C1 2106023703 JQRSHCZDPCQJGN-UHFFFAOYSA-N 426.311 4.643 30 10 IJEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)c1cccc(Br)c1C#N 2118197137 QXIWABSZNIQDGU-UHFFFAOYSA-N 436.272 4.604 30 10 IJEE COC[C@]1(C)CCSC(=Nc2ccc(Cl)c(I)c2Cl)N1 2157909999 NZWHGAMDPOFJMY-ZDUSSCGKSA-N 445.153 4.717 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cc(C#N)c2)[C@H](C(F)(F)F)C1 2163253495 JITDSQKYORHLRH-SWLSCSKDSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](Oc2nc(Cl)c(C#N)s2)(C(F)(F)F)CC1 2184481613 LSDRORXWPCQDEG-HNNXBMFYSA-N 425.860 4.769 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2219967435 HJPPIGPJXNMYQN-IRLDBZIGSA-N 441.446 4.863 30 10 IJEE C=C(C(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221683039 MWZAPZLCWNLZKE-INIZCTEOSA-N 426.427 4.888 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)o1 2227506942 TZLXYOUYJIDNSS-GFCCVEGCSA-N 447.952 4.879 30 10 IJEE C#CC[C@H](C[C@H](N)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237402497 LBPJCIUVTAOOPG-HOJAQTOUSA-N 435.406 4.652 30 10 IJEE CC1(C)OB(c2scnc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2255642864 MQSVEESCOOKIHK-UHFFFAOYSA-N 440.418 4.665 30 10 IJEE C=CCN(CC[C@H](NCC)c1ccc(Br)c(OC)c1)C(=O)OC(C)(C)C 2266763928 GNORAPVNBRMYEV-KRWDZBQOSA-N 427.383 4.922 30 10 IJEE CC1(C)OB([C@H]2C[C@H](C(=O)N[C@H]3CCN(Cc4ccccc4)C4(CCC4)C3)C2)OC1(C)C 2267563532 PACHDKPWBDBOJN-FKBYEOEOSA-N 438.421 4.562 30 10 IJEE Cc1cc(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)ccc1NC(=O)OC(C)(C)C 2267819443 PALRDJHWKCXOQY-UHFFFAOYSA-N 439.365 4.967 30 10 IJEE C=CCCC1([C@H](NC)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2278279615 OGRFEUXGHMFAJK-OAHLLOKOSA-N 445.423 4.983 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C#N)(Oc2nc3ccc(Br)cc3s2)CC1 2278955273 WZUBGTBFJOUYOY-UHFFFAOYSA-N 438.347 4.731 30 10 IJEE C=CCCC1([C@H](Cc2cc(Br)ccc2F)NC)CN(C(=O)OC(C)(C)C)C1 2281048534 RFCOOIPKYITERY-SFHVURJKSA-N 441.385 4.922 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@@H](O)C#Cc3ccc(Br)cc3)(C2)C1 2296279076 KZPPGARSWMYFTP-LQBOVUBWSA-N 434.374 4.589 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(OC)cc2)cc1 2296318934 IKUXGISHKUBTGF-JOCHJYFZSA-N 449.890 4.984 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300396387 KFEGEZMBLWPALW-JYFHCDHNSA-N 426.601 4.612 30 10 IJEE CC1(C)OB(C=Cc2ccc(NC3CC(NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2301421679 XTQIYVPTEFEKJQ-UHFFFAOYSA-N 449.360 4.596 30 10 IJEE COc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3ccc(OC)c(OC)c3)cc1)C2=O 2314527334 QMEYXJONCZZXOR-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCCOc1ccc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1OC 2318418059 OMFXUNZTNUCGHH-UHFFFAOYSA-N 425.510 4.840 30 10 IJEE CCOc1ccc(CCNC(=S)NN=Cc2ccc(Cl)c(Cl)c2)cc1OCC 2318776394 BTFUTUXAMVJUKB-UHFFFAOYSA-N 440.396 4.832 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCOCC1 2318923346 PDKRDVNTEYOYAG-SFHVURJKSA-N 449.523 4.533 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319751172 VENNSBGUWZJYRM-MRXNPFEDSA-N 430.354 4.650 30 10 IJEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(C[C@@H]3CCCO3)C4)C2=O)c2ccccc21 2322307759 DJJBCGGQOVHWAO-FQEVSTJZSA-N 444.531 4.917 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4cc5ccccc5oc4=O)c3C)C2=O)o1 2323573734 NIJICULSHNEHIN-UHFFFAOYSA-N 428.396 4.838 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324982610 FDFRTFGNKGXWBX-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3C2=O)cc1 2325740308 YUMSOHRWKJLONK-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccco1 2328677745 OXYNDQUJHFDOJL-UHFFFAOYSA-N 436.512 4.979 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1OC 2331048549 ZOIYNYBNUUUTHE-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccco2)cc1 2331179140 HQSVVIKPAUSIEO-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1cccc(Cl)c1 2331337186 GQRVGJYMVJUHIK-UHFFFAOYSA-N 432.933 4.828 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339575028 QNAXDUNELLJZPU-PKOBYXMFSA-N 443.397 4.784 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(Br)cc1F)NCCC)C(=O)OC(C)(C)C 2363122905 ACMSIOVSCQTDEH-GOSISDBHSA-N 441.385 4.759 30 10 IJEE CC#CCN(C[C@H](NCCC)c1cccc(OC)c1Br)C(=O)OC(C)(C)C 2363130123 PQYHIIBPMLMMEC-KRWDZBQOSA-N 439.394 4.759 30 10 IJEE COc1cc(Br)ccc1Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364930362 VGKYLTSHRNWYMI-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(F)c4)nn32)cc1 9597497 JJJZUAPKTOVWEX-NRFANRHFSA-N 436.512 4.740 30 10 IJEE CC(C)(CC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)OCC(F)(F)C(F)F 20034727 BLRNKRSSXMWRLE-UHFFFAOYSA-N 434.455 4.687 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1OC 21249044 AWEDNADKTCFYHO-QUCCMNQESA-N 449.547 4.885 30 10 IJEE COc1ccc(N/C(=N\C(=O)c2cccc(OC)c2)NCCc2c[nH]c3ccccc23)cc1 32943033 LAJSBWKUZQLMGH-UHFFFAOYSA-N 442.519 4.626 30 10 IJEE biogenic CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@@H]2c2ccccc2)nc1C 35420890 HDJKABSNGPFZPT-HJBMFWNLSA-N 444.512 4.837 30 10 IJEE Cc1cccc(OC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)CN(C)CC3)c1 40570073 LOCYNRJPQGRPDO-UHFFFAOYSA-N 429.545 4.614 30 10 IJEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1 64657016 RXEFOLRJKPGJOW-IBGZPJMESA-N 439.558 4.928 30 10 IJEE C=C(C)COc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1 66108463 YZELTHBQWOTKOK-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 105288461 LAAQLJIASZOBOZ-UHFFFAOYSA-N 441.940 4.615 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2cccs2)cc1 169921493 YAAIBYJLXIHWNO-SFHVURJKSA-N 440.546 4.609 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC(=O)O)cc3)[C@@H]2c2ccccc2)cc1C 170052975 UBSIVDDOOXAVBJ-XMMPIXPASA-N 441.483 4.713 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1 170095898 UVSCTRGQUJPRNS-HSZRJFAPSA-N 442.471 4.591 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)[C@@H]3c3ccc(C)o3)nc2c1 170103769 ZVGXGCWJQUTKID-QHCPKHFHSA-N 441.487 4.875 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)ccc1Cl 170163059 BSPXORZWSWAVFF-IBGZPJMESA-N 440.908 4.584 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccn1 170173993 JDUSZVWUZRPCBA-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccncc2)c1 170203630 YEBXSQPTUGECFU-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)cc1 170214850 WCTONFSQSXTUIA-FYSMJZIKSA-N 447.531 4.930 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 170231224 VVPUXRFKCPZMSX-XMMPIXPASA-N 442.515 4.895 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(F)cc2)c1 170238894 VUYSOWRRNGTERL-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(C(C)C)cc1 170244326 BHVGSUDOLIFEHF-NRFANRHFSA-N 443.927 4.697 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccccc2F)cc1C(C)C 170247093 AZSHZXPUYPCLFR-JOCHJYFZSA-N 441.499 4.573 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c[nH]c2ccccc12 170253984 FTDGYHATZGHYMN-QHCPKHFHSA-N 426.472 4.546 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cn(C)c2ccccc12 170269364 SSECKYYJUBJVIN-XMMPIXPASA-N 444.531 4.882 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccco1 170288099 CYRPBAVWJGTOMF-NRFANRHFSA-N 445.427 4.826 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1sccc1C 170317143 KFDZKZTYABDMRC-FQEVSTJZSA-N 448.544 4.855 30 10 IJEE C=C([C@@H](NCC)c1cc(I)ccc1Br)C(F)(F)F 311066049 YAIBNVUIXNEWFK-LLVKDONJSA-N 434.037 4.823 30 10 IJEE C=CCn1c(SCC(=O)NCC2(C)CCC2)nnc1-c1ccc(Cl)cc1Cl 427183288 CPNFQEXWKTUVIR-UHFFFAOYSA-N 425.385 4.836 30 10 IJEE C=CCn1c(SCC(=O)N(CC)c2cccnc2C)nnc1-c1ccc(Cl)cc1 439236743 SZIQMKJUQVLPSA-UHFFFAOYSA-N 427.961 4.633 30 10 IJEE N#CC1CCC(CNC(=O)Nc2nc(Cc3ccccc3Br)cs2)CC1 441752649 OCWUNBNCIGHKLQ-UHFFFAOYSA-N 433.375 4.948 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 470333311 GPGZPYPQWWNHAI-LJQANCHMSA-N 444.881 4.768 30 10 IJEE Cc1c(C(F)(F)F)nn(C)c1NC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 480209206 YLNJPJAOAOSUDV-INIZCTEOSA-N 438.347 4.869 30 10 IJEE O=C(N[C@H]1CCCC(F)(F)C1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 488958737 XRLYFAUVZSXJSJ-JTQLQIEISA-N 435.311 4.877 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)s2)cc1 489537658 MLEWPXMODZCSQO-NRFANRHFSA-N 437.613 4.725 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 505010499 HTOSVOPVYDDCJP-QGZVFWFLSA-N 447.535 4.651 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cc(OC)ccc2OC)c1 526489052 OTQGOTSDMSVSNN-XMMPIXPASA-N 442.471 4.641 30 10 IJEE N#Cc1ccc(N2C(=O)C(SCc3ccco3)=C(N3CCCc4ccccc43)C2=O)cc1 526693122 HHVWCBKFXLRWSR-UHFFFAOYSA-N 441.512 4.622 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(=O)NCCCC)CC1 555238673 WNJUNCOAYFVGPG-UHFFFAOYSA-N 449.521 4.673 30 10 IJEE N#CCCCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 586206966 HGLYKQGVWDHGPT-UHFFFAOYSA-N 431.714 4.741 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(F)cc2)cc1 586305359 TXHLATUSFWIFMR-UHFFFAOYSA-N 438.480 4.520 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Br)c(F)c1 685534144 UYJBSOCFTGWMDO-LJQANCHMSA-N 442.336 4.693 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 698426925 HKVWHOIIZNWYQJ-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE CCOC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 708674407 YOYGUINUYLVPSL-QHCPKHFHSA-N 433.549 4.560 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1OC 726932150 TZOHIFRTKQNVQD-WZUFQYTHSA-N 427.407 4.900 30 10 IJEE C=CCN1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 730124810 GWSATVSZSOZSMR-UHFFFAOYSA-N 446.473 4.730 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 735230451 LOEQXZYAARISEH-UHFFFAOYSA-N 449.923 4.636 30 10 IJEE COc1ccc(-c2nc(C(=O)OCc3cc(Cl)ccc3OCC#N)cs2)cc1OC 735336684 KWNBJIAPTYZCNU-UHFFFAOYSA-N 444.896 4.740 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1=S 742159341 NYWOYKNTHFLGDC-HRAATJIYSA-N 442.535 4.965 30 10 IJEE COc1ccc(CNC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1C#N 746767738 ACQQTTLWIAKGIC-UHFFFAOYSA-N 448.350 4.764 30 10 IJEE O=C1C=CC=N/C1=C(/O)NCCN[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 779102791 BVOWBIMTYNJTOW-UOFXHNCJSA-N 449.860 4.564 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCCN1C(=O)OC(C)(C)C 790488192 MFFPQWOJPZFXLC-HSZRJFAPSA-N 447.963 4.751 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1)c1ccc(Cl)cc1 812913934 CEIGBOJIXOETMC-GOTSBHOMSA-N 426.944 4.568 30 10 IJEE Cc1ccc(F)cc1NC(=O)CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1 1084353244 ZPCGXAOUVLMHNU-UHFFFAOYSA-N 434.500 4.582 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](CC(C)C)N1CCCCC1=O 1125672701 SGAVNTFASTXHMO-LJQANCHMSA-N 439.369 4.530 30 10 IJEE C#CCN(C(=O)COc1ccc(Cl)c(C)c1)[C@H]1CCOc2ccc(Br)cc21 1126227607 BTECKWRCVSYOKK-IBGZPJMESA-N 448.744 4.775 30 10 IJEE C=CCCCCCN(C)C(=O)c1csc(I)c1Br 1126325509 UKVKSXNJPXAFMZ-UHFFFAOYSA-N 442.160 4.934 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(CCc3ccccc3)ccn2)CCCN1C(=O)OC(C)(C)C 1126662085 CJOCWQDDPYMRQC-SANMLTNESA-N 433.552 4.598 30 10 IJEE CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(COc2cccc(C#N)c2)c1 1127051449 FOHIDIHSOZOVBO-UHFFFAOYSA-N 440.499 4.907 30 10 IJEE C=CC1(CC(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)OC)CCCCC1 1127694852 KJVTYWKVCHJNQV-GOSISDBHSA-N 447.373 4.657 30 10 IJEE CC(C)C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)N1Cc2ccccc2C1=O 1129424622 ALHRENXVKUEIFA-XMMPIXPASA-N 440.503 4.755 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC)c1ccccc1 1130115900 ASVBIHGGJUTGPW-GOSISDBHSA-N 445.375 4.855 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)cc21 1134572344 BIZXWTPVUOAYRZ-JOCHJYFZSA-N 429.442 4.829 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 1136168459 BCXBWBAJUCTDRZ-KXBFYZLASA-N 427.570 4.602 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CCC1 1136882118 BTPLZNWYGRALPG-HXUWFJFHSA-N 425.554 4.596 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 1140601893 MLWBFDMUMNMWRV-SFHVURJKSA-N 428.907 4.707 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)cs1 1176587645 NFUUHILHOFMIII-HSZRJFAPSA-N 432.549 4.581 30 10 IJEE N#Cc1cc(S(=O)(=O)N(Cc2cccc(F)c2)C2CCCC2)ccc1Br 1208631649 FOWRQNOVQXYLEN-UHFFFAOYSA-N 437.334 4.593 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc3cccc(Br)c3n2)cc(OC)c1OC 1266214860 LZOIPCMYQSPAOD-UHFFFAOYSA-N 427.298 4.995 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(Br)c(C)cc2OC)cc1OC 1267747650 IXYHQWSNGJWODY-VQHVLOKHSA-N 432.314 4.991 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCC1(C)C 1286303065 XEXJMZJMUWAYHV-DLBZAZTESA-N 445.405 4.904 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1 1286305655 OXZSLHQKCRJNAZ-QVKFZJNVSA-N 447.029 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1 1286305656 OXZSLHQKCRJNAZ-VFNWGFHPSA-N 447.029 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCSCC(C)C 1286423081 IMNATUKXFWYNSY-UHFFFAOYSA-N 432.996 4.980 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cnn(CC)c1 1286666277 DHHXLOZBLBSMRY-UHFFFAOYSA-N 429.572 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1286676827 SGJNFGACLOXUHJ-IBGZPJMESA-N 442.629 4.871 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](N2CCCCC2)C1 1286695830 KINSSDNFMMMBDL-LJQANCHMSA-N 429.996 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CC[C@@H]1CCCCO1 1286754222 NPYUGDGUIJUYLV-IBGZPJMESA-N 431.378 4.845 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21 1286759619 DTAOGRJVTJCDHG-JOCHJYFZSA-N 432.616 4.893 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCCN(C)C2CCCCC2)C1 1286804982 NMGBIKIDOSQHCE-QHCPKHFHSA-N 437.632 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCC2(C)C)C1 1286806922 YUIVRZZXSXPNOP-VQTJNVASSA-N 440.588 4.570 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nccs1 1287597215 FTQFMLLNTPWROP-UHFFFAOYSA-N 446.584 4.606 30 10 IJEE CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cc(F)cc(C#N)c2)cc1 1287802419 FVKNKKDMANWNLE-UHFFFAOYSA-N 440.521 4.894 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(-c2ccccc2Br)nn1)c1ccccc1 1288364336 MHMFIIGZCORGFM-SFHVURJKSA-N 425.330 4.857 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C)s2)cc1 1296798191 FOLAPRIIQYZVOZ-WMZOPIPTSA-N 439.585 4.973 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1Br 1300358178 LKNZRZVYSKWJJI-UHFFFAOYSA-N 438.373 4.851 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1300394452 QIDSAPONQIRPDH-CTNGQTDRSA-N 447.583 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCCCC1 1300606784 ULGAMHRDGLSUME-UHFFFAOYSA-N 425.646 4.611 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 1301165955 NIIQOYNDZGYIHQ-PKTZIBPZSA-N 435.616 4.647 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC=C(Br)C1 1301175374 AHMJCTZGZXCEQN-UHFFFAOYSA-N 432.322 4.699 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccoc1 1301241087 NAJCTXWCVMHYHF-QGZVFWFLSA-N 426.586 4.954 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1301306094 ZFUGGTQBHQRUDV-REWPJTCUSA-N 426.605 4.535 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccsc1)N(C)C)C1CC1 1301317661 WMOIAAICFABSRV-GOSISDBHSA-N 428.993 4.513 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCS1 1301341945 QCBYPBYTOZJDHD-OAQYLSRUSA-N 435.622 4.890 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc(CC)n1 1301396994 IMYCROQGTRGQQI-UYAOXDASSA-N 429.634 4.637 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1occc1C 1301415640 XVAARFBQCPHBGV-INIZCTEOSA-N 426.586 4.720 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccsc1 1301531472 NEBMSQWNKXVBDS-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C 1301622320 FBUMUPIYIYTRCU-OALUTQOASA-N 449.665 4.894 30 10 IJEE C[C@H]1CC(F)(F)CCN1C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1302485009 GWLXQOXUTQYONO-HNNXBMFYSA-N 429.492 4.549 30 10 IJEE C#CCN(C(=O)c1cc(Br)c(Br)[nH]1)[C@@H]1CCCc2ccccc21 1304066343 KHKOJRNKRLZCFP-MRXNPFEDSA-N 436.147 4.693 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)c2ncc(C)s2)c1 1315559663 FAWREWPLVKDSBV-QMHKHESXSA-N 436.585 4.652 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)[C@H]2C)CCCC1 1315976791 IFNBRTHXLRIZHN-MOPGFXCFSA-N 439.629 4.744 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)C1 1320063032 GXAUQSRHKSVIMJ-FQEVSTJZSA-N 433.508 4.514 30 10 IJEE N#Cc1ccc(C[C@@H](C#N)C(=O)O[C@@H](c2cc(Br)cs2)C(F)(F)F)cc1 1358340848 HQGQDOFSZHONFC-WFASDCNBSA-N 443.244 4.911 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1359124426 DLNIRINKTPTFGB-FQEVSTJZSA-N 426.492 4.653 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nccs2)CC1 1359161945 WEKRBSCSHZVNBT-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)C[C@@H]1CC 1359188049 FMTLMRLZFLJXPZ-CTNGQTDRSA-N 437.636 4.679 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1359218324 FPUKTZSWUAYOLS-UHFFFAOYSA-N 435.616 4.638 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCn2cc(C)nc21 1359232304 RGRJSFIIMMRCHA-LEWJYISDSA-N 434.588 4.740 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCN(CC)C1)C1CC1 1359248649 WROQHXYHXIUVAE-QGZVFWFLSA-N 444.421 4.513 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1cc(Cl)c(OC)c(OC)c1 1359268061 BYPNIHPGDLMVJN-UHFFFAOYSA-N 428.920 4.744 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCSC(F)(F)F 1359270685 YSIXYPJKJCVQSU-UHFFFAOYSA-N 434.491 4.562 30 10 IJEE C#CCN(C(=O)CCCOc1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1360310504 HRVCHTTVUIFNHA-NRFANRHFSA-N 442.353 4.902 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1360374234 SBPCREASOYQWEH-NRFANRHFSA-N 426.557 4.845 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@@H]1CCCCO1 1360787948 HTPDVKKEDHUJBJ-SMTRIPRVSA-N 443.636 4.676 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)c1 1361104617 VOQHKYYNKWHYLW-LJQANCHMSA-N 430.529 4.569 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 1434952100 GKSNFHZZXPFJRJ-DEOSSOPVSA-N 426.560 4.949 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1[nH]c(C)c(C(=O)OCC)c1C 1434996563 NYLSPOSKNGYFGX-UHFFFAOYSA-N 437.309 4.538 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 1448529742 FUIUAUVZRJREGD-LJQANCHMSA-N 431.964 4.887 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1(C)C 1451535622 HCTFEDWPKYXLML-UHFFFAOYSA-N 449.551 4.609 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CCCN1C(=O)OC(C)(C)C 1458170265 BRSSBIRJYJEJDW-MHECFPHRSA-N 432.536 4.890 30 10 IJEE Cc1cc(C)c(C#N)c(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)n1 1461483401 GJXCNEWLTZQJIA-UHFFFAOYSA-N 426.307 4.804 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1OC 1462218155 LMNLWGVZJOLXPT-LJQANCHMSA-N 436.980 4.937 30 10 IJEE COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C 1463496888 HSRJWJJQEDHIID-QGZVFWFLSA-N 449.532 4.752 30 10 IJEE O=C(CCC(=O)c1c(F)cccc1F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1466511397 BWLBXSJNKHKQSY-KRWDZBQOSA-N 437.311 4.949 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)c(Cl)c(C(=O)OC)c1)c1ccc(Br)cc1 1467501244 JVLSSKZGGBOAEP-HNNXBMFYSA-N 439.668 4.524 30 10 IJEE C#CCN(C(=O)NCc1ccncc1OCc1ccccc1)[C@H]1CCCc2ccccc21 1470118109 ATADCNOWYFCZPO-VWLOTQADSA-N 425.532 4.883 30 10 IJEE COc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)ccc3C#N)sc2c1 1472991068 HBHMCHKVAFWECD-UHFFFAOYSA-N 432.530 4.969 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)cc1 1476082542 CEFPLQCNMXGBOB-HTAPYJJXSA-N 431.492 4.645 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 1478964179 JJPKSEXAZOTZSB-QUCCMNQESA-N 425.495 4.547 30 10 IJEE COCCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1504738345 FBRNDDXYMMGXCW-OPAMFIHVSA-N 449.958 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507542575 LQTBVJXHMHJICO-YZUZCNPQSA-N 438.616 4.773 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1nccs1 1507662204 FJNPWXIEFOGISO-QZTJIDSGSA-N 449.649 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCC(F)(F)C1 1507684939 JVIGVFNJXPLIQV-KRWDZBQOSA-N 432.515 4.637 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1507809319 SSOQLRIROJHANI-IDVKNYFZSA-N 430.980 4.584 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1 1507828641 KOJLLKSJUGAELJ-STQMWFEESA-N 425.371 4.753 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCSC2(C)C)CC1 1507897181 GIUGHKKQOXWJMY-LJQANCHMSA-N 442.629 4.896 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C 1507937459 QKIRKVDMMSINIS-OALUTQOASA-N 447.624 4.710 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 1507988121 IZXJDJFRTZQELG-KBXCAEBGSA-N 449.418 4.905 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC=C(C)C 1508017693 UTTBYFZMMNTNII-FQEVSTJZSA-N 429.609 4.927 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CCc1cccc(F)c1F 1508027025 KQIOHHDDZXPKBK-UHFFFAOYSA-N 435.478 4.689 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(Cl)=C(Cl)C1 1508049864 KHJPFFZXLHYGFF-UHFFFAOYSA-N 432.124 4.932 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1508062506 HETUVENLWPPPLZ-IBGZPJMESA-N 437.613 4.661 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)C1 1508111367 DWOIRTQUMOIXRK-RQNQAMLKSA-N 437.632 4.545 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1508412340 AWUHGFSWQGGOKL-MPCDZSKCSA-N 434.588 4.798 30 10 IJEE CCCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)C[C@H](C)C#N)CC1 1514354946 GDPVQJWORIMHBI-OAHLLOKOSA-N 446.393 4.892 30 10 IJEE C=CC[C@@H](OC(=O)c1cc2c(=O)n3ccccc3nc2n1C)c1ccc(Cl)c(Cl)c1 1519082146 NWCFLXDMFMBDIW-GOSISDBHSA-N 442.302 4.967 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](c1ccccc1C)C(C)C 1521303502 GMUCHPSBJUGRES-NRFANRHFSA-N 445.357 4.920 30 10 IJEE Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1N1CCOCC1 1522150122 IEXVMOPDJXFROJ-FQEVSTJZSA-N 425.532 4.861 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1scnc1C)c1ccc2c(c1)OCO2 1523443648 LUUXSUOBFNGFTN-UHFFFAOYSA-N 436.533 4.911 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1523759884 UPBFNWCZUMYGID-OAQYLSRUSA-N 442.581 4.558 30 10 IJEE CC(C)(C)c1ccc(C(F)(F)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1530807897 BQIWCGVBAMZHBT-UHFFFAOYSA-N 425.523 4.728 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CCCC1(C)C 1530837428 AISKGXCAKYBIEE-XQBPLPMBSA-N 432.630 4.560 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2cc3c(ccc4ccccc43)o2)cc1 1534003313 REJMPMJPQVRQGO-UHFFFAOYSA-N 434.517 4.574 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)CCCN1C(=O)OC(C)(C)C 1537268733 BRWASPBUXJLLTC-HSZRJFAPSA-N 442.947 4.566 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNc1ccccn1 1538984448 IWRFXUWYEZTTIO-GOSISDBHSA-N 434.613 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[C@@H](C)N1CCCCC1 1539036150 YSHJHUZDUPMRHJ-LEWJYISDSA-N 425.646 4.601 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)S[C@@H](C)C1 1539103144 PBMLGQCTOGRNAB-OALUTQOASA-N 436.581 4.861 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CC1(CCOCC)CCCC1 1539165543 DIRORVAPSYBYQR-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1ccccc1 1539185919 KBLZDJZLCFDXDM-HKBQPEDESA-N 434.496 4.655 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC[C@@H]1CC 1539300570 CYWRLLRPMAZEGA-ICSRJNTNSA-N 426.511 4.836 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 1539378741 ADLQNNRZYICXGQ-RPBOFIJWSA-N 427.573 4.929 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(C)C)CC1 1539621888 BYSJPCWLDCXFTM-SIKLNZKXSA-N 444.023 4.547 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OCC(C)C)C1 1539693755 YMYDMCKJFQGQFZ-INIZCTEOSA-N 437.357 4.674 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)S[C@H](C)C1 1539730703 SCLRECRZWIDJSB-SBHAEUEKSA-N 444.645 4.958 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1539828614 MJRXTCXBFAIIHD-VQTJNVASSA-N 444.023 4.960 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1539915643 CNVNAIVDLHPSFT-QHCPKHFHSA-N 431.584 4.940 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)S[C@@H](C)C1)c1ccccc1 1539947521 KLDDAVLVZWTQJQ-SXWKCWPCSA-N 433.625 4.954 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1c(C)noc1C 1540029600 VPFNPFVCQJZYOQ-UHFFFAOYSA-N 433.915 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2OCC(F)(F)F)C1 1540882276 FTRZTSGGAOLMCC-SJLPKXTDSA-N 438.494 4.562 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCSCC=C)C1 1540886690 HULWHAAQWDCSMY-INIZCTEOSA-N 439.412 4.952 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)c2cccc(OC)c2)C1 1540892965 UUPBCUUDDMVZAN-OAQYLSRUSA-N 426.605 4.634 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1CCC(F)(F)CC1 1541105048 DRLXXTPKBCFAIM-MRXNPFEDSA-N 439.514 4.757 30 10 IJEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1541894916 GVWKPLJDOOMJCF-RBUKOAKNSA-N 429.515 4.505 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1547831325 DGFSNCJCCKVLCP-UYAOXDASSA-N 425.577 4.559 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCCCCC3)n2Cc2cccc(C(F)(F)F)n2)c1 1555986931 FEQULFSQQFWARD-UHFFFAOYSA-N 426.446 4.659 30 10 IJEE N#Cc1c(N2CCc3sc(Br)cc3C2)nc2c(c1C#N)CCCCCC2 1559237764 CEZOSRWULDLFSW-UHFFFAOYSA-N 427.371 4.871 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1561403084 XARHGCPABVULPU-CQSZACIVSA-N 434.461 4.969 30 10 IJEE CC(C)(C)c1cc(NC(=O)NC[C@@H]2CCc3ccccc3C2)n(-c2ccc(C#N)cc2)n1 1562787727 AMFLAHXZVXTMLS-LJQANCHMSA-N 427.552 4.968 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1564406845 PIPAMCSNFMVPPM-GOSISDBHSA-N 441.494 4.973 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSCC1 1587786844 BDNNTIHGDRWYOC-UHFFFAOYSA-N 425.385 4.521 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)Cc1nc2ccccc2s1 1589097759 WQMGHZALAUJPRL-UHFFFAOYSA-N 425.627 4.623 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1589546788 RJTQVKVPDOTEPA-NWSQWKLXSA-N 442.604 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1Cc1ccnc(OC2CCOCC2)c1 1589625287 AESXIYDBPMWKQW-UHFFFAOYSA-N 447.583 4.657 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CCC)C1 1593712109 SEWWIRMLWAHYAC-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN2CCC)CC1 1594013860 MFRATBKJOKPUTL-UXHICEINSA-N 427.568 4.588 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1594209461 XFWQIAOWWLDCHQ-LPHOPBHVSA-N 445.405 4.783 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1594431111 WORPABSMQYJIEJ-WOJBJXKFSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1594491786 KSIWLAALQCUFOS-FQEVSTJZSA-N 445.558 4.727 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@H](CC)C1)c1ccccc1 1594553342 YYHGLJKSCAZHNQ-DHIUTWEWSA-N 433.625 4.956 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CCCC2)C1 1594669209 RDUFWHNBBOSPIH-UHFFFAOYSA-N 427.980 4.598 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1595228429 BXLIPYNEXPDASQ-QHCPKHFHSA-N 447.583 4.789 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccccc1F 1595234242 LYKBQRPOOKWOGA-NNMXDRDESA-N 442.579 4.982 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCC(F)(F)F 1595267061 PDVFTMVXJXFRMN-UHFFFAOYSA-N 433.478 4.783 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccc(CC)o1 1595330558 XQRBERXVYQJBOD-INIZCTEOSA-N 430.350 4.729 30 10 IJEE C=C/C=C/CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1 1596830821 VLYKFQSGIWFKEZ-AATRIKPKSA-N 430.957 4.583 30 10 IJEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1 1621404342 GHNLUIRWWDWPEI-LJQANCHMSA-N 449.599 4.570 30 10 IJEE Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)c1 1624672324 CGOCANOWWRSSRY-GOSISDBHSA-N 434.540 4.927 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 1625188889 LYRMJXBRLHXMJV-JOCHJYFZSA-N 433.533 4.682 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H]2CC)c1 1625725264 KQURICMMINVESM-VGSWGCGISA-N 447.000 4.982 30 10 IJEE C#CCN(C(=O)c1cc(Br)ncc1Br)[C@H]1CCCc2ccccc21 1626711006 QLRJZVJWXCFAEW-KRWDZBQOSA-N 448.158 4.760 30 10 IJEE CC(C)(Cc1cccc(Br)c1)NC(=O)CCCC(=O)Nc1ccccc1C#N 1629049802 HCMGPCNWVLLIRT-UHFFFAOYSA-N 442.357 4.567 30 10 IJEE C=C[C@@H](C)ONC(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 1631874290 RZRZUBGKJFPLFY-GFCCVEGCSA-N 425.337 4.960 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)cc(OC)c1OC 1632554441 KNPWVHDSOLFREZ-UHFFFAOYSA-N 438.524 4.935 30 10 IJEE C#C[C@@H](CC)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1635862873 GNJJKAZMSZJTDT-RXFWQSSRSA-N 438.527 4.794 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1640186756 QPCIZNOMGHGLPT-FQRUVTKNSA-N 442.559 4.732 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1643257201 GEOUBWKPOIJPBU-QUCCMNQESA-N 444.560 4.585 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1652287043 FDVODPALVSYJBV-FQEVSTJZSA-N 429.564 4.979 30 10 IJEE C=CCN(Cc1ccccc1F)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1652329094 KHHPDKWPSLBSSY-QGZVFWFLSA-N 442.490 4.616 30 10 IJEE Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2cc(-c3ccccc3)sc2n1 1655359546 HWCKYFPVHIZBOV-FUHWJXTLSA-N 435.553 4.838 30 10 IJEE C=C(Cl)C[C@@H](Nc1nc(CN(C)C)nc2scc(-c3ccccc3)c12)C(=O)OCC 1655759636 HNSKCBSAQSETPL-QGZVFWFLSA-N 444.988 4.906 30 10 IJEE C#CCN(C(=O)Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1657534257 XHUHZHILKJZXKH-UHFFFAOYSA-N 426.344 4.860 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1657932790 XOHONIPABDKPLW-ZFGGDYGUSA-N 440.632 4.625 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)ccc1Cl 1659112484 DZDSHUHEFOQKBL-UHFFFAOYSA-N 449.986 4.726 30 10 IJEE COc1cccc([C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)OC)c1 1674202104 CBGKDVNOMNXUAV-VWLOTQADSA-N 445.519 4.964 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 1678200161 LSYNBPKDOKKLAG-CTNGQTDRSA-N 447.551 4.696 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 1680258221 DHDOIJZZLBFOMP-SFTDATJTSA-N 428.577 4.562 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 1682356829 NYVWEHQLUPVECQ-ACRUOGEOSA-N 445.332 4.560 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1686957010 PVBZBCAVSDTXRR-UHFFFAOYSA-N 441.547 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCCN1CCCC 1689861521 WNYPYLBQQOGDNS-GOTSBHOMSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC=C(COC)CC1 1689876768 IPBVHUSVWWAUGH-GOSISDBHSA-N 428.964 4.658 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 1689888619 NRGGZNROPPRRFK-INIZCTEOSA-N 437.407 4.784 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(Cc2ccsc2)CC1 1689919268 IIVHSODAWHZAKT-UHFFFAOYSA-N 443.979 4.535 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@@H]1C 1690094303 YOBJUJAUNXNPJS-FHWLQOOXSA-N 430.980 4.594 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)O 1690446638 DLYXBCIPOKQBGK-UHFFFAOYSA-N 439.373 4.800 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCN1CCC(C)CC1 1690558265 KAVKCIUBSXHPLT-UHFFFAOYSA-N 444.583 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CCN(C)C(=O)OC(C)(C)C 1690586638 QJHJBIQXTIDDGH-UHFFFAOYSA-N 431.968 4.644 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1690594726 DVELXKIQGZAIGP-HXUWFJFHSA-N 429.609 4.904 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(OC(C)C)nc2)C1 1690690027 PWVNSOOMSLCRFR-QHCPKHFHSA-N 447.583 4.519 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(Cl)cc1 1690995260 GNZDIQSWVQNJCE-CYBMUJFWSA-N 447.768 4.528 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1 1695491418 FSUQLJPGXJSMRA-HLAWJBBLSA-N 425.602 4.812 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1cccs1)N(C)C 1705479130 IWALYWCTHFXKIW-CTNGQTDRSA-N 433.625 4.570 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1 1705526136 FWTRQFRRPZTLOY-KBPBESRZSA-N 437.382 4.590 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)(C)C 1705604083 FBSGYEOLYGRWOM-SFHVURJKSA-N 432.996 4.963 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccc(F)cc1 1705606161 MVNRXCKAPHVEAU-UHFFFAOYSA-N 444.352 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N1CCC(C)CC1 1705606780 FQFIUSSAPAFWDF-HXUWFJFHSA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1Cc1cccc(C(F)(F)F)n1 1705607300 YDLIAPWAIRNUNR-UHFFFAOYSA-N 425.414 4.613 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1705793338 UKHRFEZPSDKLEM-GGAORHGYSA-N 426.568 4.610 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705813122 WDUPDGAJLMFVTH-DKSSEZFCSA-N 449.368 4.674 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705814005 ZZSYTNZXCJDWHD-FQEVSTJZSA-N 437.519 4.502 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1CC1(N(C)C)CCCCC1 1705856036 CSBBJEQRWSJTJS-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1705864668 JBDXZCLRMJBKQE-NRFANRHFSA-N 436.579 4.891 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCCCC2)nc1 1705871199 AUFNZXSXKLMNHC-UHFFFAOYSA-N 449.990 4.606 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705941946 BQUHGSPCADRHLH-UHFFFAOYSA-N 437.613 4.709 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705948953 JQTZLLUZWKEVMC-NHCUHLMSSA-N 437.613 4.664 30 10 IJEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)CCO1 1709551134 AMFXAUITFSVAGL-ZEQRLZLVSA-N 444.583 4.657 30 10 IJEE CSC1(Cn2c(CC(C)(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)CC1 1712758565 HFCVMWXDCXRFCR-UHFFFAOYSA-N 439.629 4.682 30 10 IJEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1722333861 PHQWPXKRXWBPAM-RTBURBONSA-N 427.618 4.549 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](c1cccs1)N(C)C 1722344719 AZNFVVHUMOIQEM-SJLPKXTDSA-N 439.654 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722470349 UCSIFPGPLLFOKS-LGVUCKNBSA-N 444.627 4.565 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H](C)CCC 1722479911 JHYKDIKHZKMMPE-CQSZACIVSA-N 437.382 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C 1722511348 YGJMNSJAGAEICT-UGKGYDQZSA-N 447.023 4.755 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C 1722544950 OHVXELNDIXNQKT-CQSZACIVSA-N 439.785 4.772 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(CCC(C)(C)C)CC1 1722627447 UZKBBKNMHFBBCS-UHFFFAOYSA-N 446.039 4.749 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC[C@@H](OC)C(F)(F)F 1722658000 RLPHHOZCXFQVKP-HXUWFJFHSA-N 445.489 4.809 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722658707 INABFXJZFRTTRX-PMACEKPBSA-N 443.611 4.621 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C(C)C)C1 1722732744 OAEIPLOZDIKMTR-IRLDBZIGSA-N 444.645 4.815 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@H](C)[C@@H]1C 1722734297 BFBFVGYHQQHGFD-DLBZAZTESA-N 425.627 4.743 30 10 IJEE CC(C)N(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1)C(C)C 1723533558 BGCLDHBKGIPQRS-UHFFFAOYSA-N 430.547 4.561 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1726821161 BTFJFVPKRZJGSD-QYBDOPJKSA-N 445.567 4.809 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(C)(C)C2CC2)cc1OC 1730079455 BJYGVCUSTPVPKM-VWLOTQADSA-N 437.588 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1740559492 PGYFXIMHKYPERH-OKZBNKHCSA-N 433.021 4.887 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740567897 XGORLZXEWXDHLK-FIXSFTCYSA-N 436.600 4.986 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(Cl)cc1 1740633611 NXPANDJEKNFKTF-QGZVFWFLSA-N 434.996 4.906 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CC2(CCOCC2)C1 1740636659 YEANBYNWDIEIDM-UHFFFAOYSA-N 430.596 4.522 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1Cc1cccs1 1740711605 PPUUSWXWHUFNJZ-LJQANCHMSA-N 438.622 4.593 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740778747 CGZPMKIKEMQTAN-FCJLEINESA-N 445.007 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C(C)C)C(C)C)CC1 1740837900 ZPPWLMZUQLMVAX-UHFFFAOYSA-N 434.632 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccccn2)CC1 1740844990 ACDICSRCXOWTKD-UHFFFAOYSA-N 430.600 4.831 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740860886 TWRMMWYABDIQKK-RTBURBONSA-N 429.996 4.993 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](c2ccco2)C1 1740871488 DWAZSTXTPZQXDZ-FQEVSTJZSA-N 428.920 4.744 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C(C)(C)C)no1 1740925840 OWCSNMITTCJSFE-UHFFFAOYSA-N 448.571 4.659 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(C)C)C1 1740970669 BAXOGXQAXMLIII-NRFANRHFSA-N 431.584 4.749 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccnc(OC2CCCC2)c1 1741433339 GRCZETCUEDZGGR-UHFFFAOYSA-N 444.583 4.749 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C)s2)n1 1742517922 DXGSBNGSOXMNCH-AWEZNQCLSA-N 449.609 4.787 30 10 IJEE CO[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1748416203 HAGCQNOVUPIAMK-UTKZUKDTSA-N 445.995 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1N(C)CCCC1(C)C 1748641409 GQMZMYBAXQUSSU-WFXMLNOXSA-N 444.023 4.650 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(Cl)c1 1748914261 HMMPHXIGZBDIKV-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H](SC)C(C)(C)C 1748939250 VOJNGDUOKLQXAG-LJQANCHMSA-N 432.659 4.816 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1749297233 BQZHOYCSZSZBTN-IBGZPJMESA-N 436.478 4.752 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(C)C)c1ccccc1 1749385124 NFDBNEVSMNNWDI-QFIPXVFZSA-N 428.584 4.969 30 10 IJEE C=CCCCCn1c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nnc1C(C)(C)C 1749408182 FVTVCICMQZJPGW-UHFFFAOYSA-N 427.549 4.888 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CC[S@@](=O)C(C)(C)C 1749587367 QPHGRBSBNGOHSP-WJOKGBTCSA-N 440.613 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 1749591068 MLLJDWKDTJTIJZ-UHFFFAOYSA-N 442.633 4.892 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CC2)n1CC(C)(C)N1CCc2ccccc2C1 1750792697 FMEKWZKCKYGJMY-UHFFFAOYSA-N 434.632 4.759 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCN1CCCC[C@H]1CC 1760241939 OQPRKYUGIYAWBA-XMMPIXPASA-N 437.607 4.979 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)Cc1cc(C)cs1 1760319439 NFUSECWXWGSYLF-PGRDOPGGSA-N 438.597 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(-n2cccn2)c1 1760330296 XWRZZUIRWYETLA-QHCPKHFHSA-N 441.583 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCCO1 1760341090 ZCDZWSJDSTYVQR-LJQANCHMSA-N 449.393 4.591 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccco1 1760350238 AIMXGUOPAVKSPP-QGZVFWFLSA-N 446.349 4.563 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1760364219 JTDIRXXSZBAOFB-HSZRJFAPSA-N 431.584 4.761 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOCC2(CC2)C1 1760378719 UWPIVOPZFHAEKG-UHFFFAOYSA-N 430.980 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1760413953 ZHNNBXKAOUVPQA-UHFFFAOYSA-N 441.595 4.571 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760423363 XAVLBJPWBFVWJS-QHCPKHFHSA-N 429.572 4.828 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccc(Cl)s1 1760438019 WHJVZWWTYQEYBI-UHFFFAOYSA-N 440.960 4.911 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CCc1cnc2c(Cl)cnn2c1 1760481980 OBBVYOBRPKDPSO-UHFFFAOYSA-N 435.963 4.533 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](C)N2CCCCC2)C1 1760539412 NUGRBDSAPKMYBX-UGKGYDQZSA-N 444.023 4.644 30 10 IJEE CCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(C#N)CC2)CCCC1 1762512243 BBBAEMGPQRAGFT-UHFFFAOYSA-N 434.588 4.858 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 1772791087 YMSSVNLCQGQFOI-IBGZPJMESA-N 442.254 4.868 30 10 IJEE Cc1ccc(NC(=O)c2nc(C(=O)Nc3ccccc3C#N)c3ccccn23)cc1Cl 1858242648 DYUYIUUFQRQHGO-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE N#Cc1cccc(COc2cccnc2NC(=O)COc2ccc(Cl)cc2Cl)c1 1858754179 IGDQAPQCIJBNJH-UHFFFAOYSA-N 428.275 4.857 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)c1C#N 1860659484 DIPRQELRWGVHPZ-CQSZACIVSA-N 431.508 4.686 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862411279 CUPBWKWGVCLZGP-OAQYLSRUSA-N 427.447 4.972 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862456771 ACBAWOIHLPBAQX-LJQANCHMSA-N 431.341 4.615 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1O 1862492204 LSRKKMMOAJGLDB-HSZRJFAPSA-N 435.520 4.929 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862497747 RUVLQVFFMSSIIL-QHCPKHFHSA-N 435.520 4.840 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503417 XCTIZYIXBUXSQH-HXUWFJFHSA-N 431.891 4.791 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2)cc1 1862589126 FKIXQCLASXFXBG-QMHKHESXSA-N 429.472 4.740 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862668527 AZINPKGZTZOTLE-OAQYLSRUSA-N 438.480 4.802 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC(C)C)cc(Cl)c1O 1862681077 QXMKNOYEHAJBDI-LJQANCHMSA-N 447.890 4.818 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Br)cc2)cc1 1862693410 KOXKCRJVFYHLMN-IBGZPJMESA-N 444.325 4.692 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862759479 SOPMLYSCECVADD-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)c1 1862949744 SGTALPYBKNONIR-UHFFFAOYSA-N 447.466 4.955 30 10 IJEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 1863131730 DCSYCUFHAZBSNC-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863260484 RAWLRJMBTOYEQR-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(CC)CC)=C(c2ccc(F)cc2)C1=O 1863507900 KUSXYLHATPWJBQ-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(F)cc2F)C1=O 1863660884 FEXVKBCZTNSJFC-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CSc1ccc(Cl)cc1 1870296514 ZAODOKYKZNYSEY-UHFFFAOYSA-N 445.924 4.939 30 10 IJEE C=CCn1cc(OCCCCCCC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870411237 ZCMWTBWAGOARSC-UHFFFAOYSA-N 437.628 4.701 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccccc2)cn1Cc1ccccc1 1870599951 VSCHDXNSMIEAQB-UHFFFAOYSA-N 430.548 4.528 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(CCc1ccccc1)CO2 1871348770 NMOZATGBTBRIMN-MSXFZWOLSA-N 441.483 4.735 30 10 IJEE COc1ccccc1/C=C1\Oc2c(CN3CCOc4ccccc43)c(O)cc(C)c2C1=O 1871395897 BBHUWNGJGLHBJE-UCQKPKSFSA-N 429.472 4.724 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)ccc3C2=O)cc1 1871436056 LGYLPTVUWJXFMA-XLFQKYORSA-N 440.455 4.589 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 1871438582 GKUSPDICVVGXSE-FMCGGJTJSA-N 431.419 4.662 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871641183 HNUVKJTVQWOBAS-UHFFFAOYSA-N 442.611 4.855 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871793004 VBPUHLHUIIVSSP-GOSISDBHSA-N 434.989 4.859 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1ccccc1 1871818303 JEJXQIKVDIMJHC-QHCPKHFHSA-N 428.598 4.869 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871881128 HGLATEGCKSGBSY-GOSISDBHSA-N 427.353 4.587 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872104307 OSILYYIPQCVBSI-QFIPXVFZSA-N 439.581 4.687 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1872252594 SGAHCQRJNILKST-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)c1ccccc1)S(=O)(=O)CC 1872288364 KAPVPHAPKPBELU-RUZDIDTESA-N 448.588 4.795 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c1 1872767226 PTCLOWWSLZYBAF-OPQSBORISA-N 426.444 4.995 30 10 IJEE CCCCCCCOc1ccc(-c2csc([C@@H](C#N)C(=O)C3=NNC(=O)CC3)n2)cc1 1872777224 IVBWWQFPXIQGOD-SFHVURJKSA-N 438.553 4.602 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)c(OC)c3)n2)cc1Cl 1872785546 PQLKWCKXMKFODE-AWEZNQCLSA-N 428.897 4.979 30 10 IJEE CCOc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872788948 VDFYPGQXRMPZQH-KRWDZBQOSA-N 438.505 4.725 30 10 IJEE C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 1872870669 MOWTVDYJUNSBEL-UHFFFAOYSA-N 426.560 4.952 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(OC)c2)cc2c(N(CCC)CCC)ncnc21 1873665286 CCUOYXIRKGQVJP-UHFFFAOYSA-N 437.544 4.513 30 10 IJEE OCCCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccs1 1874206597 JVOQTAAMAMLXOT-KEBDBYFISA-N 443.381 4.582 30 10 IJEE COc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1cccc2ccccc12 1874314889 QZLWIUBMGHLEMJ-NLRVBDNBSA-N 446.576 4.582 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1/N=C/c1cccc(F)c1)Nc1ccccc1 1874415456 QQGJTCBTCPYHGP-WGOQTCKBSA-N 445.523 4.621 30 10 IJEE C(=N/n1c(SCCc2ccccc2)nnc1-c1cccs1)\c1ccc2c(c1)OCCO2 1874423159 XRUGJWLYGGNPPL-LFVJCYFKSA-N 448.573 4.995 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1 1874464581 QXXOXFLLIZGAHC-BUVRLJJBSA-N 431.521 4.714 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C#N)(CNC(=O)OC(C)(C)C)C(C)C)c1 1944401401 VYGKZTZPBQHBAH-HSZRJFAPSA-N 433.549 4.880 30 10 IJEE C=C(I)CN1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccccc21 1992152481 FPBTVARVDMAYKW-AWEZNQCLSA-N 428.314 4.581 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2037660411 VHEASHXXCAPOHA-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCN(CCCB2OC(C)(C)C(C)(C)O2)c2ccccc21 2044527229 BUFJXYKGNZUYQQ-GOSISDBHSA-N 430.398 4.987 30 10 IJEE O=C(C1=CCC(F)(F)CC1)c1cc(Br)ccc1I 2045232271 FZECEEVKORPUDA-UHFFFAOYSA-N 427.026 4.982 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2cc(Br)cc(F)c2C#N)CC1 2118196505 INQJLHVAVUVCGA-GFCCVEGCSA-N 426.330 4.589 30 10 IJEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1c1ccc(C#N)c(Br)c1F 2118199022 NLNRREBAYTVILZ-QWHCGFSZSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2124521368 FYWLNLZDYNHESF-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE N#Cc1cc(F)c(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148946483 QIMGGTJMWSPDAT-MJGOQNOKSA-N 428.349 4.808 30 10 IJEE N#C[C@@]1(Nc2cccc(Br)c2)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156280771 UJTYEMUUHCVDGR-YADHBBJMSA-N 426.358 4.578 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(Br)cc2C#N)[C@H](C(F)(F)F)C1 2163253201 GZVDHFWXGTWRBT-GXTWGEPZSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)cnc2C#N)C2(CCCCC2)C1 2174715687 NSRNRWXZKCWHGF-OAHLLOKOSA-N 435.366 4.522 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(F)cc2Br)NCC)C1 2183007380 ASYTVAGMGMJGIR-GOSISDBHSA-N 441.385 4.970 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2cccc(Br)c2Cl)C3)OC1(C)C 2194129147 SPGDXCOJQILQBZ-HXPMCKFVSA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@@H](O)CC#C[Si](C)(C)C 2229108013 RDROOWNGGCJUHT-ROUUACIJSA-N 440.454 4.517 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2235726142 XJGFCPALGWOIKA-HOTGVXAUSA-N 449.311 4.624 30 10 IJEE Cc1ccc(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)c(NC(=O)OC(C)(C)C)c1C 2256594810 CYWIUNANPVBFQB-UHFFFAOYSA-N 430.354 4.568 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 2296216549 LQMKYZYMTCMWQP-VAMGGRTRSA-N 433.390 4.567 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]12CC[C@@H](CN1C(=O)OC(C)(C)C)C2 2296272144 IOPIVOPYRZUDLG-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)NCC1(C[C@@H](N)C#Cc2cccc(Br)c2)CCCCC1 2296279955 VAGJXDIJIZBDFJ-IBGZPJMESA-N 435.406 4.993 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C12CC(C)(CN1C(=O)OC(C)(C)C)C2 2296301104 QPWXOWZULAUZPV-OSFYOIPJSA-N 433.390 4.568 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 2305322389 KUPFLAXMXHTJTE-RUZDIDTESA-N 428.573 4.842 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2315460975 OYABKDBPMFAALA-GDBMZVCRSA-N 433.749 4.809 30 10 IJEE N#Cc1ccnc(Oc2cc(Br)cc(I)c2)c1Cl 2316850699 FBNSCVAPDDYVES-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O[C@H](C)C(=O)OC)c3C)C2=O)c2cc(OC)ccc21 2321831515 ZLNYHSCAAYCXDS-OAHLLOKOSA-N 435.476 4.535 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)c1OC 2321978798 WXKQLRKBYVVBEK-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE COc1ccccc1CN1COc2ccc3c(c2C1)OC(=Cc1ccc([N+](=O)[O-])cc1)C3=O 2321993672 WAQWBDFEPFDJJR-UHFFFAOYSA-N 444.443 4.572 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)c1 2322054645 DLZYXZVUWTYGGI-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4)cc(C)c3C2=O)cc1 2322687713 BFXAOGVURHJQKB-UHFFFAOYSA-N 444.439 4.626 30 10 IJEE Cc1cc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323597957 RMEJGSVICQKMKZ-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1ccccc1OC 2326467946 CBVHVTUFVARYGB-UHFFFAOYSA-N 436.537 4.591 30 10 IJEE COc1ccc(C=Nn2cnnc2SCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 2326511648 VHZFDPDQGLCTJX-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc(C)c1 2330050574 VGBLTYNXCDWYMA-LJQANCHMSA-N 435.597 4.581 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccnc1 2330664571 KMPJHAFUGLJVLQ-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] 2330975409 FKRQLSHPUYWTDC-UHFFFAOYSA-N 427.453 4.994 30 10 IJEE CCCN[C@H](C#CC1CCC1)c1ccc(I)c(Br)c1 2337438650 ILGCCNPDTXUHNS-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@H](N)C#Cc1ccccc1Br 2363387920 JLVXZMGGCHNWLX-RTBURBONSA-N 435.406 4.944 30 10 IJEE Cc1cc(CN[C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676136 RPDJYURQGAMLRP-VWLOTQADSA-N 446.444 4.581 30 10 IJEE C=C(C)CC[C@H](C)N[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376687016 ZRGAPFRITDKOSO-LKFCYVNXSA-N 425.186 4.907 30 10 IJEE COc1ccc(C#N)cc1NCc1ccc(I)c(Br)c1 2377353436 PVSIYLGGKAACCU-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCOc3ccccc3)cc(C)c2c1 12241082 WYWHVFGMRUJTGM-UHFFFAOYSA-N 425.492 4.625 30 10 IJEE CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C(C)=O)cc2C#N)c1 14120724 IUZOSSUDCXLJBX-UHFFFAOYSA-N 444.516 4.512 30 10 IJEE C=CCN(CC=C)Cc1ccc2c(NC(=O)c3ccc(C)s3)c(C(=O)OC)sc2n1 14988746 MZVMQWCEVPEMRN-UHFFFAOYSA-N 441.578 4.879 30 10 IJEE CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3Br)OCO4)S2)cc1 15229381 RDGWJYUABVTWBY-IUXPMGMMSA-N 431.311 4.632 30 10 IJEE Cc1cccc(N/C(=N/C(=O)c2cccc(C)c2)N2CCN(Cc3ccccc3F)CC2)c1 15729059 PUCPMKMFONUHKZ-UHFFFAOYSA-N 444.554 4.869 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 34954589 IENASBJGFMNBFI-YIXHJXPBSA-N 436.435 4.967 30 10 IJEE Cc1c(C(=O)/C=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)oc2ccc(F)cc12 34982489 GLXCFWXMOFLWPY-UITAMQMPSA-N 425.437 4.684 30 10 IJEE CCCCCn1c(O)c(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c(C#N)c1=O 38616793 XNKUPGZWYFTOCD-INIZCTEOSA-N 430.932 4.845 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 41285697 XYVNHJVBSRLGSH-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE Cc1c(CCC(C)C)c(N2CCN(c3ccccn3)CC2)n2c(nc3ccccc32)c1C#N 47163565 NTAPWKBOIJJGKG-UHFFFAOYSA-N 438.579 4.978 30 10 IJEE COc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2)cc1 59254543 IRJIMRWPPNBRJL-GOTSBPSXSA-N 445.544 4.856 30 10 IJEE COc1ccc(C/N=C/[C@H]2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 96486148 NJWWYXQNTHHZJM-RHKYMZEHSA-N 440.528 4.943 30 10 IJEE CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1cccc(C(=O)O)c1 101132312 YZOHNMWBQZJPHS-GTXWLNMASA-N 449.444 4.787 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(C)c2)c1 169966114 IXMHBRIJTAQABE-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccs2)cc1 169984882 OMGDDQQUVKTUBN-NRFANRHFSA-N 435.501 4.938 30 10 IJEE CCOc1ccc(C2=C(N3CCCc4ccccc43)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 169996446 HUQCJWSWSPETPZ-UHFFFAOYSA-N 449.510 4.694 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2cccnc2)c1 170014281 LJBHEMBDTBTZFB-JOCHJYFZSA-N 438.487 4.666 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccco2)c1 170097856 KLJJYTXWAFGFOC-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)cc1OC 170154225 JVPKPPRMFOSARU-LJQANCHMSA-N 441.530 4.605 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170162048 DABZXHWPOVFHJC-PXAZEXFGSA-N 438.332 4.812 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1 170190664 ZYEFLVPPCGSEIM-QHCPKHFHSA-N 439.471 4.523 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1 170234369 QYZSPOJPIHQIOL-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccco2)cc1C 170280162 NQYQOWRARDWWEA-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)c1 170286857 YOLNZJMLRIQPGF-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 170364115 VXNDLVCKVLNTMC-NRFANRHFSA-N 449.484 4.658 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)o1 170424788 YBCKINPRUPFTGW-GOSISDBHSA-N 431.366 4.978 30 10 IJEE COc1ccccc1/C=N/N=C1/S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccco1 210594115 FNGOCYJNVYAQNV-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE CC#CCOc1ccc2c(c1)c(CN1CCC[C@H]1CO)cn2Cc1ccc(F)cc1Cl 248175283 VFXZDVKKFOMJGX-NRFANRHFSA-N 440.946 4.841 30 10 IJEE O=C(C[C@@H]1SC(=NN=Cc2cccs2)N=C1O)Nc1ccccc1C(F)(F)F 252609561 HUTCQBPPKKUJJC-ZDUSSCGKSA-N 426.445 4.558 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc2ccccc2c1 253566327 IUEITRLEYSJDNC-UHFFFAOYSA-N 428.561 4.735 30 10 IJEE CCN1/C(=C(/O)c2ccccc2)C(=Nc2ccc(OC)cc2)c2ccccc2S1(=O)=O 254382977 MLIRAEKQPDBIQI-ANHJNVNYSA-N 434.517 4.767 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](CC(=O)NC)c1ccccc1)c1ccc(C(F)(F)F)cc1 430887806 FSCBIHAZSYJVFI-UXHICEINSA-N 433.474 4.889 30 10 IJEE C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1ccccc1F 501108746 UETDPWQTMGSZPI-UHFFFAOYSA-N 433.468 4.958 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)c2cc(F)ccc2F)nc2sc3c(c2c1=O)CCC3 517358098 SZFMQKYZQSEMAF-LLVKDONJSA-N 432.517 4.774 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC(C)=O)cc2)c1 526490756 YEUPUYZEPQMFDS-DEOSSOPVSA-N 440.455 4.549 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc1Br 526810801 NAOWZPDZLWTDQA-YVNNLAQVSA-N 431.359 4.841 30 10 IJEE COc1ccc([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3Cc3ccccc3)C2)cc1 549500755 PKELGMIOXKADMP-XMMPIXPASA-N 435.531 4.868 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cccs1 549954774 FQOMUNYUHCMIAM-LBPRGKRZSA-N 434.338 4.552 30 10 IJEE CN(C)c1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586216204 OBEYGUXSOZUYIH-UHFFFAOYSA-N 425.941 4.673 30 10 IJEE CCCCS(=O)(=O)OC1CCC(NC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 586508594 ZWEJTDUWTXGVFO-VZUCSPMQSA-N 434.385 4.581 30 10 IJEE C[C@@H](NCc1cccc(COCc2ccco2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 609574339 FVKJWZWKEGCGPG-MRXNPFEDSA-N 435.549 4.535 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N(Cc1cc(Br)ccc1F)C1CC1 685548732 GZXZNGCEFCGPCY-UHFFFAOYSA-N 442.336 4.521 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1 735346096 RVMPKIZONGESSS-UHFFFAOYSA-N 432.867 4.780 30 10 IJEE CC(C)n1ncc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1-c1ccccc1 753623816 AVVPWHWCMAQYDU-OAHLLOKOSA-N 448.548 4.737 30 10 IJEE C#C[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 774264086 MCRNDGPEQYXOIG-RDTXWAMCSA-N 445.466 4.687 30 10 IJEE C/C(=C/C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc([N+](=O)[O-])cc1 783709287 MRHAMIBKDIIAPO-RAXLEYEMSA-N 437.506 4.652 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CC[C@](F)(c3cc(C)cc(F)c3)C2)c1=S 799953762 YCDUIJLJPFEHGG-JOCHJYFZSA-N 427.524 4.638 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1Cc2ccc(Br)cc2C1 812181515 NUCJKUFNJUGJIS-FQEVSTJZSA-N 437.341 4.813 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)c1ccc(F)cc1 812747626 AGEYRYIBZBTDNA-JOCHJYFZSA-N 444.531 4.611 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)SC1=Nc1ccc(C)c(Cl)c1 1084628982 LGFNAXPOWFWZRL-GOSISDBHSA-N 431.945 4.637 30 10 IJEE C=C[C@H](OC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1)c1ccccc1 1130934943 ZZBVICFMKLESAI-QMMLZNLJSA-N 443.565 4.636 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@@H]2CC2(F)F)nnc1-c1ccc(Cl)cc1Cl 1131510246 YBXIRSJVSJQPPF-LLVKDONJSA-N 447.338 4.692 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 1150675468 WUYOGVNQHSNWRJ-INIZCTEOSA-N 432.870 4.626 30 10 IJEE C=CCn1c(SCCOc2ccccc2OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164431218 VYBQDJDJZDXDAB-OAHLLOKOSA-N 442.606 4.949 30 10 IJEE C=C(C)[C@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(F)c(F)c1 1169474973 WPMRRHAXLHSGJD-OALUTQOASA-N 426.385 4.876 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1175916542 AURXOBNWJRGYGY-KRWDZBQOSA-N 425.326 4.721 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)cc1 1185431838 MDYIOGFGSJKANP-OYRHEFFESA-N 426.626 4.762 30 10 IJEE CCCc1c(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cnn1-c1cc(C)ccn1 1217007963 IEOBTEWJHQCGIV-UHFFFAOYSA-N 444.417 4.943 30 10 IJEE C#C[C@H](CC)NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 1229532847 VYYBHLUEZXXLPI-VPUSJEBWSA-N 442.559 4.923 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)CCCC1 1248674402 CBLBUMHNTSCWQJ-NHCUHLMSSA-N 449.636 4.617 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(N(C)c3ccccc3)n2)cc1 1264801968 NQGIHISJNHSGPW-UHFFFAOYSA-N 432.549 4.978 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2CNC(=O)OC(C)(C)C)cc1 1264802064 QDDIPPVQUKMYBP-UHFFFAOYSA-N 449.551 4.778 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C1CCOCC1 1280097593 RABDFVSXYRHHAO-NRFANRHFSA-N 436.581 4.516 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1286447330 NIAFHHMIBAHFEE-DHLKQENFSA-N 447.652 4.781 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1286499662 NVAPYGXOXYLPIO-PZJWPPBQSA-N 449.624 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CCC(=O)Nc1cccc(Cl)c1C 1286526506 SXALWOYCHOZWQD-HSZRJFAPSA-N 425.964 4.528 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCN2CCCC2)CC1 1286657354 XSQADZKWGARSOT-QFIPXVFZSA-N 437.632 4.923 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1CC 1286730820 PCHUHHZHXTVWSQ-KRWDZBQOSA-N 438.403 4.661 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)CN(C)C)C1CC1 1286735116 NTVPRKCNRSHOGG-QGZVFWFLSA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)cs1 1286748061 SIIDDQZDPQHQFS-IBGZPJMESA-N 427.549 4.665 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCc2csc(-c3ccccc3)n2)C1 1286799900 BOIXEQHBZVTMFH-WIYYLYMNSA-N 437.613 4.939 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2=CCCCC2)C1 1286801118 WHWNWPCFLPLBIF-GCJKJVERSA-N 426.536 4.839 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCSC2(C)C)C1 1286809083 ZQFCQZJBEXGEEW-ICSRJNTNSA-N 447.048 4.835 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H](C)SCc2nc(O)c3c(C)c(C)sc3n2)c(Cl)c1 1289440265 PTJDYMOOCZJXGB-GFCCVEGCSA-N 431.970 4.909 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC(C)(C)C2)s1 1289636819 GIYDTGAIDQUNIU-UHFFFAOYSA-N 448.640 4.945 30 10 IJEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1)N1CCC[C@@H](C)C1 1291104784 AQDZUCCKTFYNFK-AABGKKOBSA-N 432.572 4.728 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)[C@@H]1C 1291175286 DMNZZDKRPKNLMQ-DLBZAZTESA-N 429.515 4.789 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1300275331 TUAJUWCMYBMNOX-DXKRWKNPSA-N 437.632 4.613 30 10 IJEE C=CCCC[C@@H](C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1300325748 JHLHYSGBACQGTQ-YPAWHYETSA-N 430.589 4.515 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCC(C)CC1 1300601948 MPXLQVBTBARPNO-QHCPKHFHSA-N 437.632 4.616 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H]1CC 1300664406 AQMHZGPBKJPGFL-ROUUACIJSA-N 445.405 4.620 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1300851354 QNGZBOLRZSMKMQ-INIZCTEOSA-N 449.303 4.606 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(C)C 1300869254 KVZNZIKQIUVBHB-IEBWSBKVSA-N 433.394 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@H]1C 1300925851 HDRKLJHRWUDUHC-ZGXWSNOMSA-N 431.625 4.887 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H](COC)C1 1301018474 DCIVZRLQIADVDF-QGZVFWFLSA-N 444.004 4.992 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCCC(C)C)CC1 1301097082 NVKBHLHVNWZXGZ-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301158925 QKLNWOYURCPZSS-BPYKYCOYSA-N 430.637 4.938 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1Cc1ccccc1 1301160681 VFKYKCASFLUQEM-HSZRJFAPSA-N 432.616 4.954 30 10 IJEE C=CC[C@@H](Cn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1C(C)(C)C)c1ccccc1 1301167957 IJNWEZURWAQECL-VXKWHMMOSA-N 431.584 4.988 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1Cc2cccc(Br)c2C1 1301183505 YZCATVHLGFFAJV-UHFFFAOYSA-N 426.362 4.923 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1301222643 BQXUKQUJSAUKLD-SFHVURJKSA-N 431.575 4.994 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCSC2(CCCCC2)C1 1301244967 BERZKLNCAFSHIP-UHFFFAOYSA-N 448.036 4.842 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1301313730 GHZMNRIHARGJNZ-UXHICEINSA-N 441.595 4.832 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1)C1CC1 1301326443 AGNHBVCZSOAXNC-WOJBJXKFSA-N 441.620 4.904 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1N(C)CCCC1(C)C 1301334320 HOUIURPYNCZHPB-JOCHJYFZSA-N 439.648 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCSC1(C)C 1301379797 TXULBCHIYOIDGW-GOSISDBHSA-N 428.602 4.672 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1301416099 BCBUAPHVMPHRQS-CTNGQTDRSA-N 432.996 4.689 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H]1CSC 1301531644 SAZXTSNNRKZDBU-FQEVSTJZSA-N 440.638 4.875 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](OC)c2ccc(Cl)cc2)C1 1301555490 CFKQPFQZDFXQEH-UXHICEINSA-N 432.996 4.689 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1C 1305224620 GDYXJXHCSLMKKL-NQIIRXRSSA-N 435.597 4.966 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cc(F)ccc2C)nc2cc(Cl)ccc2c1=O 1307242668 RDKLJUYLRGXQBD-UHFFFAOYSA-N 431.920 4.804 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(Br)ccc1N1CCCC1)C(C)C 1310398311 ANMZLEFBYRGFQY-NRFANRHFSA-N 449.437 4.869 30 10 IJEE Cc1cc(NC(=O)N[C@H]2CCc3c2ccc(F)c3Br)c(C#N)cc1N(C)C 1310837519 BLFHVEIUZSBMEQ-INIZCTEOSA-N 431.309 4.643 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1316529985 CYQBIQBDKXXMHW-GQIGUUNPSA-N 439.432 4.744 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2Cc2ccccc2)C1 1321261386 ARQQEAGWJGPBDX-OAQYLSRUSA-N 425.536 4.631 30 10 IJEE C=CCCC[C@H](C(=O)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1)c1ccccc1 1350144127 LFFNHDZSEAMTAX-FQEVSTJZSA-N 430.537 4.864 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C2CC2)nc2ccc(OC)cc12 1351080722 QPEUETPJSLXCDS-UHFFFAOYSA-N 447.487 4.864 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c(OC)c1 1351536604 FVAIHISRJXDWPH-OAHLLOKOSA-N 443.565 4.804 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)COc1ccc(C#N)c(Br)c1 1352223288 CDBCHKRFSKBYFS-LLVKDONJSA-N 442.140 4.754 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CN(C)C(=O)OCc1ccccc1 1357265524 GVMARVBWANFERZ-UHFFFAOYSA-N 429.476 4.866 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)CC=C 1359019842 ISAWJMPJOPTRLT-UHFFFAOYSA-N 449.368 4.535 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](CC)O[C@H](C)C1 1359051273 RFGHAZCAXPVNMW-SCTDSRPQSA-N 444.670 4.502 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1359055185 VQJKSTVDIINBKL-JPYJTQIMSA-N 447.608 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CC1CC1 1359093594 PKMWSXGJLHRLMV-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2cccc(C)n2)CC1 1359161450 DPERLPGBVGTYRJ-UHFFFAOYSA-N 444.402 4.872 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCCC2)CC1 1359174052 VOHHROTVJWPYQE-SFHVURJKSA-N 429.996 4.570 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCCN1CCCC[C@H]1C 1359258662 YMEBFJQMFYCZQN-JOCHJYFZSA-N 430.600 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)[C@@H](C)CC 1359268684 ZKSNGNSVDCTXHJ-JTSKRJEESA-N 447.421 4.992 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)c1nccs1 1359277696 SQKOEBNKNBHTRB-PKOBYXMFSA-N 427.574 4.608 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCc2cccc(C)n2)C1 1359312887 CEQXHMACZBKRFF-DNQXCXABSA-N 431.584 4.547 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2cccc([N+](=O)[O-])c2)cc1 1360289716 QDWJPLWDSDGCML-UHFFFAOYSA-N 442.431 4.695 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(COCC(F)(F)F)cc2)o1 1361169462 FJSLBQXRVWHRHH-HNNXBMFYSA-N 447.461 4.712 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)nc1 1435599257 GOEAWXZNJIIUKB-UHFFFAOYSA-N 438.940 4.850 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC 1442724583 UAMKETPEYCQDKU-ZSOIEALJSA-N 432.524 4.995 30 10 IJEE CC#CC[C@@H](CO)NC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1 1452867705 YCYLZLHYBHZMSY-QYJRXKHCSA-N 431.557 4.758 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 1456652491 ZIZHCMCXWJUTCD-OAHLLOKOSA-N 438.981 4.834 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(CC2CCCCC2)s1 1457627033 DXGHMNXDTOVACO-AWEZNQCLSA-N 428.986 4.635 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)cc1OC 1463843439 OJFPALCNWYQIHF-HEFNWKINSA-N 427.928 4.997 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 1465209208 NBAZGDWJTKRVLY-UHFFFAOYSA-N 445.585 4.634 30 10 IJEE Cc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(C#N)cc1N(C)C 1466763386 DYYODSJQNMORGO-SFHVURJKSA-N 435.576 4.510 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(Br)cc1 1468450283 DPTZNEMWFZUXDR-FCHUYYIVSA-N 437.381 4.542 30 10 IJEE C#CCN(C(=O)NCC1(OC)CCCCCC1)[C@H]1CCOc2ccc(Br)cc21 1471543069 AWBZSQHSBVJHGL-IBGZPJMESA-N 449.389 4.657 30 10 IJEE C[C@@H](COc1cccc(F)c1)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1474863652 CAUMHBAIJPEEGL-JTQLQIEISA-N 445.356 4.609 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)cc1 1476042082 ZGUUUYDAWOJPBS-UHFFFAOYSA-N 443.547 4.973 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c(Cl)c1 1477146596 FMZSYXSMDFQDHX-NRFANRHFSA-N 432.907 4.970 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC)c1ccc(F)cc1 1477897637 BILWTYXGVARVAL-ZCYQVOJMSA-N 448.494 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCOCCC(C)C 1507766066 YGTOCNPFMSKXIE-YADARESESA-N 428.552 4.612 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1Nc1cnn(CC2CCC2)c1 1507787528 FFYFOTJVEOEORW-UHFFFAOYSA-N 433.379 4.579 30 10 IJEE C=C(Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CCSC)c1ccccc1 1507850783 BFVBCKJTJOTAPU-HXUWFJFHSA-N 446.624 4.808 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCc2ccccc21 1507856848 FMWSCCSYJOLEJI-KRWDZBQOSA-N 446.780 4.922 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1507860906 XQGDULAJUAEGOS-QGZVFWFLSA-N 448.995 4.889 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1507870779 MTAYUYCTAMFBLY-UYAOXDASSA-N 444.023 4.580 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCc2nc(C)cs2)CC1 1507887731 FYUSDIWRMWHBTF-UHFFFAOYSA-N 448.596 4.673 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](c2ccco2)C1 1507952779 BRYBVMUWIWGKKU-FQEVSTJZSA-N 440.569 4.716 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](OC)C(C)(C)C 1508015360 SNLBHYXDLKUITE-GOSISDBHSA-N 433.394 4.947 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N1CCC[C@@H](C)C1 1508018435 SHOSUWFIEAXELF-RTWAWAEBSA-N 446.599 4.899 30 10 IJEE CCC(CC)(Cn1c(CC2CCCC2)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C 1513270163 GGANFTCOROHOMZ-GOSISDBHSA-N 446.640 4.833 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC[C@H](C)N1CCCCC1 1518000904 GYSUMAKRKCWUFS-MSOLQXFVSA-N 445.011 4.610 30 10 IJEE C=CCc1cc(C(=O)Oc2ccc(C)cc2I)cc(OC)c1OC 1523520531 HVIBVZBCAHABSE-UHFFFAOYSA-N 438.261 4.565 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1Cl 1524998485 CAVJJZTXCNQYTR-AAEUAGOBSA-N 436.726 4.749 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)Cc2cccc(OCC#N)c2)sc2c1CC[C@H](C)C2 1526892748 CJCNBTXGROKJIZ-HNNXBMFYSA-N 426.538 4.522 30 10 IJEE C=CCC(F)(F)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1I 1527791161 UYUKRCVZVYLCHO-MRXNPFEDSA-N 445.222 4.847 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1533141947 LHTLYTBJKNBDPS-LJQANCHMSA-N 431.414 4.779 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3Cl)CC2)cc1 1534876880 HIJGCXFXKZWHCF-UHFFFAOYSA-N 431.923 4.606 30 10 IJEE Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)nc(C)c1Br 1538182087 GHKFHILFQKVUAI-UHFFFAOYSA-N 426.270 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCCC1(C)C 1539034676 HKQSAHRULSCYOA-OPAMFIHVSA-N 433.021 4.623 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539104462 IOYXHWAWDUJSCV-OAQYLSRUSA-N 444.970 4.738 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1539171148 HDIVLNALKRWJQN-DENIHFKCSA-N 433.556 4.511 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1539615495 JKIBAVMECUQANT-KIHHCIJBSA-N 438.616 4.987 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1539646205 SDLLMUPKGBJOLB-WMZHIEFXSA-N 442.629 4.579 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(OC)c1 1539924099 NCKPLGCGUHEUPM-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C1CC1 1540141086 YZEOXXUEZHJMII-SFHVURJKSA-N 432.597 4.554 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccc(F)cc1 1540186960 JOGKIKIMGPVDTK-RUZDIDTESA-N 438.547 4.811 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1540855383 QAFYKJHQBABZSC-GOSISDBHSA-N 441.645 4.594 30 10 IJEE CN(CCOc1ccc(Cl)cc1)C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 1559392907 FPYNOXUMRNNMNC-UHFFFAOYSA-N 428.863 4.860 30 10 IJEE C=CCN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2)C(C)C 1559504303 QTFRNRUIVLLDIF-UHFFFAOYSA-N 426.582 4.701 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)c1ccccc1 1562296825 HFTKXXCJWMDSAB-LAUBAEHRSA-N 449.942 4.849 30 10 IJEE Cn1c(O)nc2ccc(NC(=O)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)cc21 1567945932 CACHTKDGMMOWSM-UHFFFAOYSA-N 435.299 4.821 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C(F)(F)F)cc1 1587315850 XRURJHOFIREZTB-YLJYHZDGSA-N 435.829 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCCc1nc(C)cs1 1587604851 ZRMRJTUDNMRFOO-SFHVURJKSA-N 430.581 4.739 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](CC(C)C)N(C)C 1588281199 ZTNIXQXDRAVGPS-ICSRJNTNSA-N 427.662 4.567 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1589048203 XVPTXSYYIDOBGC-UHFFFAOYSA-N 446.407 4.703 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC 1589506664 ZIYDNBRBVZWUOL-PKOBYXMFSA-N 433.394 4.843 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCO[C@H](C)C2)CC1 1594077036 HCTMLNNEMIJYHB-SJORKVTESA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(NC(=O)c3ccco3)cc2)CC1 1594096499 CAXBOMCFCVOBSM-UHFFFAOYSA-N 433.556 4.917 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1594438620 WLQHJDXPUPPGIB-DVECYGJZSA-N 426.630 4.832 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C1CCCCC1)N(C)C)C1CC1 1595058430 LQXBXGUYDNBVSA-HSZRJFAPSA-N 425.596 4.673 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCCN1CCCC[C@H]1C 1595127529 SJQPRGIUQANCJR-OAQYLSRUSA-N 448.590 4.936 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1595507157 XXFFNQKKAAWJHI-JKSUJKDBSA-N 448.398 4.571 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CCN(C)C1CCCC1 1611742530 GAISFWQFTGXDSB-QZTJIDSGSA-N 445.011 4.684 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1613100680 CKNFPGMYCVALAK-LHSJRXKWSA-N 436.387 4.789 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N 1614537523 GJQYOSNPXYUDIS-UXHICEINSA-N 433.604 4.819 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1)C1CCCC1 1615212876 CCUJKEKTQJUFLF-UHFFFAOYSA-N 448.571 4.937 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2sc(C)cc2C(=O)OCC)Cc2cccs2)c1 1616144915 JVUHFBKFINPPQL-UHFFFAOYSA-N 438.574 4.921 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C 1618150413 FCBXBCSWACAWEB-QGZVFWFLSA-N 448.518 4.570 30 10 IJEE C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1623350486 FUUOFCBASVDYKP-CYBMUJFWSA-N 445.375 4.994 30 10 IJEE Cc1ccc(C)c(N2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)c1 1623575838 GCOBIXOCJMSFQL-UHFFFAOYSA-N 441.579 4.660 30 10 IJEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)CCCCC1 1625187200 CDQGTRQTPVCKEC-UHFFFAOYSA-N 439.581 4.952 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c(Br)cccc21 1626829152 WWKYBCUXLUOFJC-CVEARBPZSA-N 443.769 4.589 30 10 IJEE C#CCN(C(=O)c1[nH]c2ccccc2c1OC)[C@H]1CCOc2ccc(Br)cc21 1628057256 BTPYJSNONGKILB-SFHVURJKSA-N 439.309 4.538 30 10 IJEE COc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1C 1632901197 BXBUOUJXEYVQNO-UHFFFAOYSA-N 431.517 4.858 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc(Br)cc1 1634808915 BLFDBYKEWCLWEE-ZACQAIPSSA-N 435.268 4.580 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 1636099275 YJIXCOIBJPWTLX-JOCHJYFZSA-N 441.616 4.997 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1636571168 QSSSLJIPBMDHSO-ZWKOTPCHSA-N 429.706 4.883 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 1639902305 DOTCHSUJNLEWGS-NRFANRHFSA-N 438.936 4.554 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccccc1F 1640705679 BDHHPYHVLFHFIQ-LJQANCHMSA-N 429.492 4.676 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=[S@@](=O)(CC)c1cccc(Cl)c1 1647901571 PUKHCJRJRUNFHW-YMGMXPECSA-N 428.982 4.963 30 10 IJEE C#CCN(Cc1coc(-c2ccc(OCC)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1648317762 GZRHWHXHKQDIPI-UHFFFAOYSA-N 439.556 4.575 30 10 IJEE COc1ccc(CC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1O 1651091024 FTUROMPDEABPON-UHFFFAOYSA-N 425.300 4.871 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CCCC[C@H]1C(=O)OC 1651648409 QOCQSLXQLJIUPE-CRAIPNDOSA-N 435.977 4.768 30 10 IJEE C=CCN(CC(=O)NCCc1c(C)cc(C)cc1C)Cc1cc(Br)ccc1F 1652423617 GZPRYOLBFCKWKV-UHFFFAOYSA-N 447.392 4.860 30 10 IJEE CC[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c2ccccc2O1 1652595120 GKIPWNSJIGJFPD-NRFANRHFSA-N 446.526 4.780 30 10 IJEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1CCCc2ccccc21 1652654282 YEFSYQMYILGRQD-RUZDIDTESA-N 444.556 4.640 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN[C@H](c3ccccc3)C3(CO)CCC3)c2C#N)C1 1653693476 AFXCXUOAONMVAV-UZUQRXQVSA-N 437.609 4.567 30 10 IJEE COc1cc(F)c(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c(F)c1 1654196916 BYDKNCSIFQJUEC-UHFFFAOYSA-N 448.878 4.894 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1OC 1658363305 DHKIQCVSVSHZPV-QFIPXVFZSA-N 426.944 4.861 30 10 IJEE CC1(c2ccc(Br)cc2)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 1658389036 AOFBGAFOQOGGNN-UHFFFAOYSA-N 426.358 4.703 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(OC)c(Br)cc1Cl)C(C)C 1663575473 IZALWMJFPWUAIG-QGZVFWFLSA-N 444.801 4.931 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 1666025523 LWOJIUZSSLOHTD-UHFFFAOYSA-N 425.881 4.818 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC 1667568197 MXAPBDUKVSYOIH-GOSISDBHSA-N 447.304 4.978 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Sc3ccc(OC)cc3)c(Cl)c2)C1 1667882903 HXQUVMMADQOJSP-KRWDZBQOSA-N 429.973 4.719 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1)c1ccc(Br)cc1 1668378496 BLXLEEJMMQDYTL-SFHVURJKSA-N 448.748 4.738 30 10 IJEE C#CCN(C(=O)NCCCc1cccc(F)c1)[C@H]1CCOc2ccc(Br)cc21 1668497439 WQKWXXNJELRGLX-FQEVSTJZSA-N 445.332 4.689 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc(Br)cnc1-n1cccn1)c1ccc(F)c(F)c1 1668672017 QHRRHFALXQPFHH-QGZVFWFLSA-N 448.271 4.747 30 10 IJEE CCCCn1ccnc1-c1cccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)c1 1669240889 FRDUXVZUJJCAEH-UHFFFAOYSA-N 434.569 4.637 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCN1CCCC[C@H]1CC 1669361766 FYQURXOLUHJKJG-GOSISDBHSA-N 426.374 4.550 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1)[C@H]1CCCO1 1671264774 NEBDSVMGJLJWOE-PKOBYXMFSA-N 433.277 4.683 30 10 IJEE C=CCCSCCNC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br 1671762603 RDEZIDKJQFKJRB-UHFFFAOYSA-N 431.249 4.918 30 10 IJEE C#CC1CCN(C(=O)Nc2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)CC1 1671842980 QWXXMAQQABBKNV-UHFFFAOYSA-N 439.581 4.559 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CC)[C@H](O)c1ccccc1F 1672708171 FYXCVEGRHHVPLW-QFBILLFUSA-N 437.309 4.787 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)C1 1673875567 CPUHQWPAYPEEOD-CVDCTZTESA-N 445.563 4.762 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1)c1ccc(F)cc1 1674202571 NSLNUXQMPPENOU-SXGZJXTBSA-N 449.448 4.954 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1cc(I)ccc1Br 1674212650 QTPFZEGEWYMYJM-JTQLQIEISA-N 437.119 4.920 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)Cc3ccc(F)c(Br)c3)cc21 1675095535 HRPWQAHFCVKVSK-ZDUSSCGKSA-N 431.309 4.877 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1)c1ccc(Cl)cc1F 1679563100 MGWFZJLJVWPUIP-YJYMSZOUSA-N 436.314 4.854 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 1683268337 VCAQWTYEYYQVOG-NFBKMPQASA-N 426.532 4.868 30 10 IJEE C=C(C)CCNC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I 1686528087 VAGJRHOJYDVGLG-SFHVURJKSA-N 438.284 4.785 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 1689938352 IUKPXAHRXNZVPJ-HNNXBMFYSA-N 437.371 4.581 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1csc(-c2ccco2)n1 1690084116 UWMPQPJSYDKBBW-UHFFFAOYSA-N 447.564 4.698 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1ccc(OCCC)nc1 1690090976 FPDDGWYMBWHFHC-UHFFFAOYSA-N 449.574 4.878 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccoc1C 1690250995 NURYXJBDKGMDIQ-XUZZJYLKSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Oc1cccc(C)c1 1690268367 HWDZUOOLVUOMCZ-GOSISDBHSA-N 425.602 4.812 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 1690439793 PFSJBYFRPPBDOG-UHFFFAOYSA-N 441.595 4.588 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690506603 UKUAPTMEPVJYSG-UHFFFAOYSA-N 429.927 4.670 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCSC(C)(C)C1)C(C)C 1690581512 TXZICPVGCYTWKC-FQEVSTJZSA-N 443.661 4.877 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCCC2)CC1 1690738373 KWESOFMLCGHROP-UHFFFAOYSA-N 432.037 4.582 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCOCC2)C1 1696537712 HWWMBFJTFQLGDH-SFTDATJTSA-N 439.629 4.744 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(COC)CCCCC1 1705598926 DARGLAYYVCETCD-UHFFFAOYSA-N 439.003 4.582 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705655170 GJBPTMUQNZYLIN-CZUORRHYSA-N 428.911 4.600 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705664139 WACGHABCMRKBMS-NRFANRHFSA-N 444.595 4.691 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1705689394 LDWGPGZZAAXJEO-FQEVSTJZSA-N 448.434 4.869 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705690633 COOXTXVKHCGPHP-DLBZAZTESA-N 449.368 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCOC(C)(C)C 1705788200 SERORYNJZVDSTF-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccsc2)CC1 1705808263 GEVFSIFWOLUKDU-UHFFFAOYSA-N 427.643 4.670 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](CC)C1 1705817049 BHLVKIQXCXJAJT-VQTJNVASSA-N 431.625 4.985 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1Cc1ccsc1Br 1705846664 ODHOHNBLQPLCLF-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705880714 NSKXFTYAVJQARH-RTWAWAEBSA-N 425.621 4.884 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Cc2cccs2)C1 1705927282 UXSTUNLGORCBRR-PKOBYXMFSA-N 428.627 4.652 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1705944396 FFVYPFAHGVGPTG-RTWAWAEBSA-N 437.613 4.520 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2sccc2C)cc1OC 1710507875 GEWATSKDXWGLAK-QGZVFWFLSA-N 439.585 4.703 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1722283199 DNJFKLCHKSXTAL-ZJBJCVSYSA-N 445.405 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)CCC(C)C 1722285210 QIRIXMHLCUYPRJ-VGSWGCGISA-N 447.421 4.661 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C(C)C)C1 1722323895 ITUWDAXMOFAQET-FPOVZHCZSA-N 445.007 4.963 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccc(C)cc1OCC1CC1 1722399228 RDXXEXWHZISWFU-UHFFFAOYSA-N 444.604 4.539 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCN1CCCC 1722404225 VPKYCORVXHBJSS-FQEVSTJZSA-N 444.023 4.721 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1722408894 WWMMITKCIKLGCJ-SFTDATJTSA-N 444.627 4.709 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCCN1CCC[C@H](C)C1 1722420749 IVXRXVWRSKXAJN-NRFANRHFSA-N 437.607 4.837 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCSC2(CCCCC2)C1 1722461150 DOUJSVTZGLWAMG-UHFFFAOYSA-N 440.682 4.686 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H]1CCC(F)(F)C1 1722498380 YQWHKOSVAFQNIV-FDDCHVKYSA-N 428.527 4.847 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(C)(C)C 1722503951 MLXBIIMNRWTLHF-NFBKMPQASA-N 426.605 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1722586826 BUCLZZBDHSRKAX-UHFFFAOYSA-N 447.583 4.999 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1722591022 KLHOINCVBXUHJO-UHFFFAOYSA-N 435.403 4.786 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)s1 1722602513 DMBVUCHJRYQQPQ-UHFFFAOYSA-N 433.379 4.552 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(CCCN2CCOCC2)CC1 1722612565 WQMCOOGCIQPDBH-UHFFFAOYSA-N 437.632 4.549 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722677739 MMIHCTQBMAHQGD-XUZZJYLKSA-N 449.599 4.583 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ncc(CC)s1 1722688069 IJGRPQPTGNTMRO-UHFFFAOYSA-N 425.602 4.996 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)COC)C1 1722719123 XMSKQGBQPUWDNN-INIZCTEOSA-N 439.387 4.706 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1722733878 PTWFTVTZLBZEBZ-WMZOPIPTSA-N 433.419 4.924 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1722923772 ATUJLVCHLWDJHR-GOTSBHOMSA-N 446.599 4.788 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCS2)C1 1724003690 DAIXRJIMTIILBF-LAUBAEHRSA-N 433.528 4.572 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCCCC(F)(F)C2)n1 1724495914 FBIZTILFNZDYKA-GCJKJVERSA-N 428.531 4.994 30 10 IJEE CC[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1)OC 1727251434 FGNKJSWLGIAASC-CTNGQTDRSA-N 425.577 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)CN1CCCC1 1740537955 ASLNXYQDRFXHOG-RTBURBONSA-N 439.673 4.711 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1740580217 RHASJGQMFNOUNB-IBGZPJMESA-N 433.021 4.889 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1Cc1csc(-c2ccco2)n1 1740648354 JTIOSNFACGOTHZ-UHFFFAOYSA-N 441.560 4.735 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OCCC)nc1 1740665217 UCZZRUKBRSZTOE-UHFFFAOYSA-N 431.584 4.934 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCSC1(C)C 1740666109 CIRYMJZGGICICT-HNNXBMFYSA-N 433.419 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1740849458 JXYHTDBSOSBFHC-NRFANRHFSA-N 447.583 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1740852414 NCWPMEXMUJIUGO-NRFANRHFSA-N 426.605 4.937 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)CC[C@H]1C)c1ccccc1 1740853515 FLQLWZKGKORYDG-KCZVDYSFSA-N 444.583 4.910 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCSCC)C1CC1 1740911271 YTBQCBNAVLPHKM-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1CC 1740920692 TXODSKYZRALYME-RTBURBONSA-N 427.618 4.595 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(Br)c1 1740930589 MIDKFSJYKJHYBK-LJQANCHMSA-N 447.377 4.518 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)C)CC1)C(C)C 1746629247 HWENJVZUUCHSRP-HSZRJFAPSA-N 439.604 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H]1CCSC1(C)C 1749077845 CRBJZOYRSZZAPM-CJFMBICVSA-N 438.641 4.943 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1749175761 NQMACAKCWSIONF-KRWDZBQOSA-N 428.577 4.952 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(N(CC)CC)CC1 1749182146 PLCOCJHMQIBKFK-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1749376279 ULLFUPPHNBXWHY-UHFFFAOYSA-N 448.615 4.885 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nc(C(C)C)cs1 1749475341 BYIOPRPJOKSMOG-UHFFFAOYSA-N 441.601 4.991 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@H]1OC 1749536340 IFBVSIWXOJYEDY-DNQXCXABSA-N 433.600 4.890 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@]1(C)CCCS1 1749586107 LZMUARZVHOZREI-VWLOTQADSA-N 433.625 4.785 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCSCC(F)(F)F)C1 1749704031 UOOFEHDGIZULCR-AWEZNQCLSA-N 446.926 4.675 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(F)(F)F)CC1 1760135705 FZZPVGTUCCPQHE-UHFFFAOYSA-N 442.489 4.713 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCN1CCCC[C@@H]1CC 1760241938 OQPRKYUGIYAWBA-DEOSSOPVSA-N 437.607 4.979 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1760352819 YVXGDVCBFSAYMK-ILWGZMRPSA-N 442.604 4.631 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1760354287 VEVYXLMRFGIDAY-RBBKRZOGSA-N 441.620 4.530 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(C)(F)F)CC1 1760387083 GENFQZYNCATTLY-KRWDZBQOSA-N 439.551 4.594 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2nnc(C(C)(C)C)s2)CC1 1760403530 WIABTDLKLYKWIA-UHFFFAOYSA-N 440.592 4.608 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760424033 UEPGJVPKNOYLGO-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1 1760439052 VCXHIVYFNVLHJO-NRFANRHFSA-N 439.604 4.995 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1=CCCOC1 1760482567 KINITHOMLRBSPJ-DHIUTWEWSA-N 436.600 4.736 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCN(Cc2ccccc2)CC1 1761023791 HSSORMIEWVDOAF-AREMUKBSSA-N 434.632 4.519 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(NN=Cc3cccc(Cl)c3)n2)cc1 1772721493 URASJSIRCCAGQX-UHFFFAOYSA-N 449.001 4.940 30 10 IJEE Cc1csc(N=C2S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N2C)n1 1772733745 LDBXQRKSYLYAQQ-RXCWDLJVSA-N 426.479 4.854 30 10 IJEE CCCN1C(=O)/C(=C/c2ccccc2O[C@@H](CC)C(=O)O)SC1=Nc1nc(C)cs1 1772761453 PHLWRLSLESKOIB-IVMPRMQHSA-N 445.566 4.708 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)/C=C/c2ccc(OCCC)c(OC)c2)c1 1860728616 RCLBUNPNQJZQGC-ZRDIBKRKSA-N 439.508 4.662 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(Cl)c1 1862380394 BLOVTOBYLPNZBQ-BMLIUANNSA-N 440.710 4.606 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1C 1862406514 ROALJFKXDPBKHJ-IBGZPJMESA-N 431.410 4.763 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1F 1862413883 MTIWUIVZCVLXQZ-QFIPXVFZSA-N 437.417 4.925 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 1862443574 QCCDEMFXRZCKAO-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862481053 WABGRDYIJVPRQS-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862502240 UVRWMNMHYXQASU-HSZRJFAPSA-N 447.510 4.562 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2cccc(Cl)c2)ccc1F 1862502741 IABYLHKQKFLUTO-OAQYLSRUSA-N 444.934 4.708 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862557042 IMYBNDNOZGGHIZ-MWTRTKDXSA-N 428.488 4.617 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc(Cl)c1 1862569235 IGORWPPIPJRWSD-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862602460 CEVYOBYSJUCPOI-DEOSSOPVSA-N 443.499 4.960 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862603032 PNNPSSUPIPKWLC-DEOSSOPVSA-N 443.499 4.958 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCO)cc1 1862651980 ZEXGCIXZVPPUKR-XMMPIXPASA-N 429.516 4.924 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 1862687336 JSSADCVYVJBMBT-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1862694971 XAVNBEBMFBTKIR-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862717889 NWGHMUMCISEONH-QFIPXVFZSA-N 430.460 4.982 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C)c(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839552 SZKHPIBTQOOOAN-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1 1863478687 JPMWJNMHDHQDAW-OAHLLOKOSA-N 429.501 4.582 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1cc(O)c2cccc(C(C)(C)C)c2n1 1866518893 NZHOLKJMNRZVMX-UHFFFAOYSA-N 443.482 4.901 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc(O)c3cccc(C(F)(F)F)c3n2)c(C#N)c1C 1866532150 ADOUZCKCLWZFNU-UHFFFAOYSA-N 449.410 4.630 30 10 IJEE CCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867349872 FFJQUFMMSKQLRU-RPBOFIJWSA-N 425.532 4.942 30 10 IJEE CCCCCCCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCCC1 1870452783 ZRGISIVXXJMIDU-UHFFFAOYSA-N 434.621 4.917 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1cccnc1)O2 1871373443 GWBCGOLTGFLJGC-UWVJOHFNSA-N 436.807 4.787 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCCCC)nc(Nc2ccc3n[nH]cc3c2)[nH]1 1871629790 ZXFOATYAVKYEFR-UHFFFAOYSA-N 434.592 4.864 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1cccs1 1872211654 JJQDSNVRYXTQHU-FQEVSTJZSA-N 434.627 4.886 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1)S(=O)(=O)CCCC 1872440476 XPGWOKCTOOJKRV-NRFANRHFSA-N 434.989 4.946 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(OCC)cc1 1872479397 OJJQEINGBBODFR-QHCPKHFHSA-N 444.597 4.632 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccccc3OC)n2)cc1Cl 1872789744 TXBIFHXQYDWGAM-AWEZNQCLSA-N 428.897 4.736 30 10 IJEE Cn1c(/C=N/n2c(SCc3ccc(Cl)cc3Cl)nncc2=O)cc2ccccc21 1873495598 WLQOOLOAKHEQGP-YSURURNPSA-N 444.347 4.611 30 10 IJEE N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccco3)C23CCCC3)c1 1873867468 XULVMBVORJOWEC-HSZRJFAPSA-N 425.488 4.842 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1 1874218007 PMZIBBIJTCSMCY-FSJBWODESA-N 428.945 4.993 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccnc1 1874311249 GTQOAVROLKSHGY-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SCC)cc1OC 1874320409 PSUPRCLFMWNZEO-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCCCO)cc1 1874408884 UXPMLDIZLCOVSW-HKOYGPOVSA-N 430.618 4.937 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 1874416965 QZJKHZNWNLQJLT-YZSQISJMSA-N 442.544 4.830 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccn1 1874426751 YOFWUMVRSAJUNJ-WGOQTCKBSA-N 442.548 4.516 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C1CCC1 1874497566 POPNRUMZPMJXEX-BFTFCADCSA-N 433.581 4.706 30 10 IJEE CCCOc1c(/C=N/n2c(CC)nnc2SCc2ccc(F)cc2)cccc1OC 1874523959 PXBOOGCERHVLMC-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc(OC)c1 1875151244 BQAMXKLLLMQKDB-JXMROGBWSA-N 446.455 4.938 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2ccccc2OCc2ccccc2)C3)OC1(C)C 1879730202 KSSNYPAPCKZOPL-RXFWQSSRSA-N 433.357 4.964 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C#N)(CNC(=O)OC(C)(C)C)C(C)C 1944400748 PIQZQVSJJCQYAW-QHCPKHFHSA-N 433.549 4.880 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 1949309664 VYAUSMIHNZAOPU-BWKNWUBXSA-N 427.589 4.597 30 10 IJEE Cc1cc(C#N)cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951401580 GUDHZMMMXMKEMQ-XMMPIXPASA-N 426.472 4.921 30 10 IJEE C=C(C)CC[C@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br 1963992405 YLBQMZLPUXGEMG-NSHDSACASA-N 425.186 4.543 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 1988817556 VYCMUKWSNJMZBC-MRNZGAJFSA-N 425.545 4.794 30 10 IJEE C[C@@H]1CN(c2ccc(C#N)c(Br)c2)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297140 POYMQNYTCXUNFU-HZPDHXFCSA-N 428.330 4.557 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNc2cccc(Cl)c2C#N)C1 2025245922 FZJVHWHWGORICK-IBGZPJMESA-N 440.975 4.745 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCC 2110509569 KOFLKXYLNBYPCD-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2124461104 ZNBYRHKIHVOCTP-MRXNPFEDSA-N 429.399 4.583 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCCC 2145543083 CRPRAZNYJSYENT-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(OCCNc2cccc(Br)c2C#N)CC1 2162417040 XYCGFGDJTMYCFY-UHFFFAOYSA-N 438.366 4.585 30 10 IJEE CCCN(Cc1ccc(Br)cc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2174558010 NTUHQQKTZYASRP-LJQANCHMSA-N 436.394 4.932 30 10 IJEE CCCN[C@@H](C#Cc1ccc(C)cc1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2231140385 MNADZHOFADIJQZ-UIOOFZCWSA-N 449.639 4.740 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@H](N)C#Cc1ccccc1Br 2235721746 BMHXWSOWTSZRQN-DENIHFKCSA-N 429.358 4.568 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2235723893 FMKHWYHVXDNXOE-UHOSZYNNSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1ccoc1CNC(=O)OC(C)(C)C 2235730884 PHNISZKPAVTWGT-GOSISDBHSA-N 433.346 4.769 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CCN(C(=O)OC(C)(C)C)C1CC1 2235735096 YRTQKTPTLQMZID-GOSISDBHSA-N 435.406 4.958 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2235736719 ZWSOWLAAGKYYLH-QUCCMNQESA-N 437.422 4.966 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2258199013 KCRIMSLBERBLHZ-DEOSSOPVSA-N 437.584 4.517 30 10 IJEE C=CCCC1([C@H](N)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266317680 JQHAGCMLKPDPFY-MRXNPFEDSA-N 431.321 4.930 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1CC2(CCN2C(=O)OC(C)(C)C)C1 2296279376 OISCKHMRFPZJKY-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296296351 MYOAEXKPJMFAKU-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CCC12CC(CN1C(=O)OC(C)(C)C)C2 2296300053 CGRLOGIRJJNABP-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296301831 ZRTVLSJQFZJWOQ-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ccc(I)cc1 2296305188 QAOQMOUYFYDOEI-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1C#N 2297476839 RUABKKOZZJZTBK-UHFFFAOYSA-N 447.472 4.808 30 10 IJEE Cc1ccc(COc2ccccc2C=C2SC(=Nc3ccccc3C(N)=O)NC2=O)cc1 2314557282 WLVDYFWSWLZYEG-UHFFFAOYSA-N 443.528 4.565 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)C=Cc3cccc(F)c3)C2)c1C#N 2318789305 MWBHDYFCSURAGO-QGZVFWFLSA-N 439.556 4.947 30 10 IJEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)cc1 2322379314 TYCGTLIIXIPVKZ-UHFFFAOYSA-N 448.563 4.648 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OCC(=O)NCc1ccccc1 2323105939 KUEWWVWXJGSGIF-UHFFFAOYSA-N 437.442 4.565 30 10 IJEE Cc1cc(OC(=O)c2ccc(C=CC(=O)O)cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2323608695 JCWAJRHQODOLRS-UHFFFAOYSA-N 426.424 4.928 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4C)c3C)C2=O)cc1 2325713957 RERHMLMNBHLVEC-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(N(C)C)cc1 2325746970 WFAJPKSSRAQJJK-UHFFFAOYSA-N 445.471 4.605 30 10 IJEE CCOc1cccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SC)c1 2325976075 JHZJLQYQDVSNAE-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccccn1 2328240148 SNMWRUFCORJUFP-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE CCCSc1nnc(COc2ccccc2OC)n1N=Cc1cccc(OCC)c1 2328297943 PGALESFPWFFWQS-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE OCCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1c(F)cccc1Cl 2329129350 VEHRNPYLTVCPNR-UHFFFAOYSA-N 439.343 4.672 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1N=Cc1cc(OC)c(OC)cc1OC 2329674372 BTYRZGINHREXKU-UHFFFAOYSA-N 446.598 4.535 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2330623886 QDCSTVSWCKCKCL-UHFFFAOYSA-N 435.597 4.911 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)cc1 2330938735 QRRVKYNQCAAOKZ-HXUWFJFHSA-N 425.533 4.509 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)cc1F 2331453805 MYBLPIWVLUPUFC-UHFFFAOYSA-N 428.456 4.843 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2332148187 KSFZIKARKVFAHN-UHFFFAOYSA-N 426.307 4.719 30 10 IJEE C[C@@H]1[C@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339595957 FUSXTVQVVBRAAE-MJGOQNOKSA-N 444.381 4.751 30 10 IJEE N#Cc1ccc(Br)cc1Nc1cc(F)c(I)c(F)c1 2341180766 ORPUVQDHHUJFIL-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC1(C)OB([C@@H]2CCN(C(=O)c3cc(F)c(Br)cc3Cl)C2)OC1(C)C 2342473568 HRINNJMETUEXAL-SNVBAGLBSA-N 432.526 4.550 30 10 IJEE C=CC[C@H](CNC1CCC1)Cc1ccc(I)c(Br)c1 2349920194 GNZAWNIZQJDMKK-ZDUSSCGKSA-N 434.159 4.931 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(COC)c1 2362289427 BPMMDFIOBYAMNS-RTBURBONSA-N 439.394 4.553 30 10 IJEE C=CCCC[C@@H](C)N[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2375579585 HPJAILNQMGSKOX-YMTOWFKASA-N 425.186 4.907 30 10 IJEE CCOC(=O)c1ccc(/N=C2/S/C(=C/c3ccc(N(CC)CC)cc3)C(=O)N2C)cc1 2903780 DQFUPQPXXUZOTL-SYECHMLWSA-N 437.565 4.943 30 10 IJEE Cc1cc(C)c2c(c1)/C(=N/Nc1ccc(C(=O)N[C@H](C)CCc3ccccc3)cc1)C(=O)N2 23322334 RBRIOSWVFLAIDJ-LJQANCHMSA-N 440.547 4.823 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2cc(OC)ccc2OC)C1=O 36258090 NRUOUHVOMVPMOP-CPNJWEJPSA-N 425.506 4.556 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C/c2cc(OC)cc(OC)c2)C1=O 36258242 SGEPRXRYEXSBJL-XDHOZWIPSA-N 425.506 4.556 30 10 IJEE C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC 36308418 CNVNWVGJKBALJK-QPPBQGQZSA-N 447.579 4.584 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)cc1 41354602 KDULSIIICGAKQA-JAIQZWGSSA-N 434.469 4.607 30 10 IJEE C=CCOc1ccc(NCC(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1 66227327 XFNCNCYKINTKAS-UHFFFAOYSA-N 429.520 4.574 30 10 IJEE C[C@@H](NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)c1ccccc1 100454215 VYYBPPBGOJQIGT-SSDOTTSWSA-N 429.229 4.762 30 10 IJEE CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)S/C1=N/c1cccc(C(=O)O)c1 100939523 LCAKJWYPRNEDND-XQGMVTDFSA-N 446.912 4.679 30 10 IJEE N#C[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(F)cc1F 111030007 AXBPFCKFOISFLN-GOSISDBHSA-N 436.443 4.788 30 10 IJEE O=C(c1cc(Br)c(Br)s1)N1CC/C(=N/O)c2ccccc21 128465574 HMFXFIMIBJQGGX-YVLHZVERSA-N 430.121 4.502 30 10 IJEE COc1ccc([C@H]2C/C(=C3\C(=O)C=Cc4c(C)cc(=O)oc43)Nc3ccccc3N2)cc1O 139954033 HEXUMTUXWGZEBK-XZSXMJNUSA-N 442.471 4.638 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(O)cc2)c1 169960552 QJOVTEMEUSQHNF-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccs1 169989314 NYIVOZWDGXJYIW-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2c[nH]c3ccccc23)s1 170075003 HQFAGCLVFIBSTR-HXUWFJFHSA-N 445.500 4.730 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2OC)cc1C 170126140 UQXGGUKFDFJKBJ-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170129170 NRUINCWZHNZLSF-UHFFFAOYSA-N 436.515 4.801 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(O)cc1 170133594 WCVSDZPXZJLSBY-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1 170138586 PVASETGXHQEAAP-HXUWFJFHSA-N 441.911 4.884 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2cccnc2)c1 170187668 IXGHFDXDOLQPPK-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)c1 170230627 BIMFYTCOOYSOQX-QHCPKHFHSA-N 428.488 4.647 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2C)cc1 170278117 UKUQIDZVHLUNEW-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C)o1 170308638 CTAZIEDPCAHSHM-JOCHJYFZSA-N 441.524 4.546 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170337509 ACGIFAXKCXUXTM-QFIPXVFZSA-N 447.560 4.663 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1c[nH]c2ccccc12 170423040 SFAAXTMCPSZZIE-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE CCn1c2ccccc2c2cc(C=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 254836298 WQGPPECZZVSDCU-UHFFFAOYSA-N 447.560 4.586 30 10 IJEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 435299642 PZAIAKOBTCZRPA-JOCHJYFZSA-N 447.000 4.564 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 446114285 ZQMPEULPERFCHL-HXUWFJFHSA-N 443.429 4.604 30 10 IJEE N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 480114440 DNYSNZSSEJXSHK-MRXNPFEDSA-N 431.462 4.813 30 10 IJEE C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 482988110 RLALKBQJGZCZCB-QGZVFWFLSA-N 428.492 4.611 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OC2CCC(C)CC2)CC1 508684041 WTWFYCHQTNLHMG-MTNXOHHFSA-N 438.572 4.541 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(O)c2)cc1OC 526518058 UVPUWIPUNZPFFO-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CC(=O)Oc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 526814693 NZIOHGQLCRSZTR-YVNNLAQVSA-N 435.336 4.993 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(Cl)c(Cl)c2)cc1 526827266 MJTWQYPKJJRTRY-YVNNLAQVSA-N 435.336 4.854 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 549639081 GUMAMVFJRLYHRK-HSZRJFAPSA-N 441.535 4.656 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 555287521 LMSPHKAHWXLCBY-UHFFFAOYSA-N 428.943 4.914 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 558984545 CODWXBMGDKGBIS-QFIPXVFZSA-N 438.959 4.707 30 10 IJEE N#Cc1cccc(C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586272736 CLVXNSLIQQJCIF-UHFFFAOYSA-N 431.300 4.901 30 10 IJEE Cc1sc2ncn(CCC(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c(=O)c2c1C 609176410 HNSPPTTWDWROOT-UHFFFAOYSA-N 444.516 4.768 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cncc1Br 687152182 RWTNZJUSESJXEG-NVXWUHKLSA-N 430.362 4.883 30 10 IJEE N#CCc1cccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687733946 BQFPYVBOEPMLQX-XMMPIXPASA-N 426.472 4.807 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 693765650 WTUVQKPWTXBRNM-ZMPRRUGASA-N 448.568 4.852 30 10 IJEE CCc1c(-c2ccc(I)c(Br)c2)sc(C#N)c1N 721631616 BSWCBWYYHXEHAC-UHFFFAOYSA-N 433.112 4.798 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(F)cc1 733201739 MEIMOULRRCZTQF-QFIPXVFZSA-N 445.519 4.963 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc1C#N 747258000 HXFLKEAZURPCMI-UHFFFAOYSA-N 448.910 4.819 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1ccc(OCc2ccccn2)cc1 752478176 ZOASTMIUWVJPLB-DEOSSOPVSA-N 441.531 4.675 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 784613692 CZUOIIOFXPZDRE-ARKGGFPYSA-N 435.511 4.510 30 10 IJEE N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1ccc(F)c(F)c1 786573109 VETAXHUSKWGWEX-QVTJDRNWSA-N 442.771 4.589 30 10 IJEE N#Cc1ccccc1COc1cccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c1 794715376 XJFREMKMYHDFMA-UUYOSTAYSA-N 429.863 4.888 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccc(F)cc1 812749686 XKTPIMAPJZFCJV-RTBURBONSA-N 445.922 4.629 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc3nc(Cl)ccc3c2)nc1C 916961684 YKATTWSOWIPVNZ-UHFFFAOYSA-N 442.957 4.639 30 10 IJEE CCCCCCOC(=O)CSc1n[nH]c(NN=C(c2ccccc2)c2cccs2)n1 1084056430 CXZVFSNAFGZMCH-UHFFFAOYSA-N 443.598 4.946 30 10 IJEE CCNC(=S)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 1084333631 GKXNFBAYVHIZQA-UHFFFAOYSA-N 426.369 4.789 30 10 IJEE C#CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1 1125065791 CRQFRPCATVDYFP-DEOSSOPVSA-N 430.573 4.680 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCC(=O)N[C@@H](C)c1ccccc1 1125735511 GEFGNONUZCKGLB-INIZCTEOSA-N 447.348 4.760 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2nc(Br)c3ccccn23)c1 1125842195 MKOGAEVBGAIHLS-UHFFFAOYSA-N 430.305 4.925 30 10 IJEE C#CC[C@@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)c1ccccc1 1127326846 XWYXUQWPWUZTGO-UXHICEINSA-N 432.442 4.505 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1128781634 DGERWVQYNFAGIX-BWKNWUBXSA-N 446.538 4.868 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)/C=C\c2ccc(I)o2)C(F)(F)F)cc1 1128866555 MNRBSGPCNGLHKR-SIJIIQCFSA-N 446.162 4.726 30 10 IJEE Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2nc(Cl)c(C#N)s2)cc1 1128932917 AUBZSOSCCUZPFH-UHFFFAOYSA-N 442.953 4.960 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 1137339109 HMXCEDIPMKAANZ-LSDHHAIUSA-N 427.998 4.577 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)CCCC1(C)C 1139512162 YWVXKSKBIDSZCX-OAQYLSRUSA-N 448.535 4.973 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 1142880975 TZNLWTSEFLKUDK-IBGZPJMESA-N 443.931 4.559 30 10 IJEE COc1ccc(NC(=O)CNc2nc(C)nc3sc(-c4ccccc4)cc23)cc1C#N 1152347404 CIWRLZFFZZKVLG-UHFFFAOYSA-N 429.505 4.598 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1)C(=O)OCC 1153516205 GFFMTYIGBIJQSV-MRXNPFEDSA-N 432.542 4.876 30 10 IJEE C#CCN(c1cc(Cl)nc([C@@H]2CCCO2)n1)[C@@H]1CCOc2ccc(Br)cc21 1162525364 RGGDECQMBPWQSD-WBVHZDCISA-N 448.748 4.707 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2OC)cc1 1166684408 SEDCDGSPHGVTDC-FQEVSTJZSA-N 430.342 4.929 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cc1 1210716849 CRBGWYIVWAHKNH-AWEZNQCLSA-N 426.351 4.616 30 10 IJEE O=S(=O)(c1cccc(OC(F)(F)F)c1F)N(CCC(F)(F)F)Cc1ccccc1 1211760950 DIVXGYSUNJQYCK-UHFFFAOYSA-N 445.356 4.868 30 10 IJEE C#Cc1cccc(NC(=O)NC[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1214232023 FLTSSOXENRNQGF-FQEVSTJZSA-N 426.442 4.938 30 10 IJEE C=C[C@@H](COC)NC(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(C)cc1 1235204362 ODOUTZBXSDXYKI-SFHVURJKSA-N 433.346 4.892 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 1264398957 GTGNXJKWSOCVJL-OAQYLSRUSA-N 430.470 4.740 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)c1 1264713825 GETRYJPNGMKCRU-UHFFFAOYSA-N 438.911 4.980 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccc(Cl)cc1F 1275498473 OJPZSXNHUBUTJH-UXHICEINSA-N 446.906 4.544 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OC(F)F)c(Br)c1)c1ccc(Cl)cc1F 1275498498 OPBJFWQIIGXMLO-AWEZNQCLSA-N 432.623 4.947 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 1286317431 FUGDHYWZNGAGBU-INIZCTEOSA-N 436.478 4.545 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCCCC2)CC1 1286342402 CAJBWUPAPOTDQN-UHFFFAOYSA-N 429.971 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCCC[C@H]1C 1286424210 VEKQPIAZLBYTNU-HSZRJFAPSA-N 445.655 4.970 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1286535500 BAIBCNOZTHLBIA-OAHLLOKOSA-N 447.406 4.639 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCCCCC1 1286551168 GPUDWAZSROXEBM-XXBNENTESA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCc2nc(C)no2)CC1 1286656738 VDVFXHUWQCCMKN-UHFFFAOYSA-N 447.370 4.979 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2Cc2ccccc2Br)C1 1288976495 ALTDJEVGFFWFKF-NRFANRHFSA-N 428.378 4.877 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C)c1Br 1296544113 ZHQJSISTTAZESH-MRXNPFEDSA-N 425.367 4.623 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1300316734 CIHNUPDLWDNXQZ-NRFANRHFSA-N 446.643 4.566 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1oc2ccc(F)cc2c1C 1300330169 VXOIGWMEQXNYHF-YBOAYWMSSA-N 438.547 4.897 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1300361336 FLYIAJXPJKMGQV-SFHVURJKSA-N 434.510 4.796 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1CC(OCC)C1 1300438830 XLKXPOLKLUGQMK-UHFFFAOYSA-N 435.597 4.652 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(CCOCC)CC1 1300563749 LWCIHPFFVVECMS-UHFFFAOYSA-N 432.612 4.912 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](COC)C1 1300743297 LQCHVCNLCQOBRV-SFHVURJKSA-N 444.670 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCSC(F)(F)F 1300788383 YIUZODLPJCCUTB-IFXJQAMLSA-N 442.482 4.802 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@@H]1CCO[C@H](C)C1 1300788583 FGXBIHVLAKOXTI-QZTZHPFYSA-N 444.526 4.744 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccnc(OC2CCCCC2)c1 1300909067 JGHUVJBCAXSWRI-UHFFFAOYSA-N 434.588 4.841 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCN(C(C)C)C(C)C)CC1 1301130276 UZMRVAATRWWWPE-UHFFFAOYSA-N 425.621 4.687 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CC1 1301149293 ZZCOBYIGEHSZCF-LJQANCHMSA-N 431.625 4.841 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1Cc2ccccc2C1)C(C)C 1301366797 IJSPIKVXEKTEDX-DNQXCXABSA-N 435.616 4.739 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2=CCCCC2)C1 1301543386 KVQHDBRGCWYSQN-HXUWFJFHSA-N 430.499 4.828 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1 1302791764 BLSFBDJSDJMZLR-URXFXBBRSA-N 437.588 4.560 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC(C)(C)C)C2CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307238068 STRVYVAYEKURRO-SCLBCKFNSA-N 446.638 4.981 30 10 IJEE CO[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1)C(C)C 1315194203 FCYABLNIBSLKBL-XLIONFOSSA-N 441.645 4.932 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2ccc(C)cc2Br)cc1 1351529474 XLYPHFLAXNGXJZ-UHFFFAOYSA-N 427.342 4.753 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 1355190164 JUXQIXSAPCEJPN-UHFFFAOYSA-N 447.462 4.578 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1358926664 XGHGCLSPAPFTAN-HNNXBMFYSA-N 448.518 4.556 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](SC)C(C)(C)C 1358972917 YDTPGBCOVOUVNM-GOSISDBHSA-N 445.430 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1Cc1ccc(OC(F)F)c(OCC)c1 1359069291 HOYBZHUYXYYKAL-HSZRJFAPSA-N 430.499 4.586 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1359169044 RPYYUGNCQZIGPO-UHFFFAOYSA-N 434.613 4.545 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@H](F)C2)CC1 1359182477 HUPQZBAPCNOBQZ-ZRNYENFQSA-N 447.599 4.589 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1)c1ccccc1 1359193838 KHMOIMBOLYFSRP-SFHVURJKSA-N 444.505 4.997 30 10 IJEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCC(C(F)(F)F)CC1)C1CC1 1359254590 WTWJLHPUQUUHFU-OLECLDRESA-N 442.526 4.526 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCN(C)C1CCCC1 1359256524 IMRYFKCGMSONNB-UHFFFAOYSA-N 434.632 4.805 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCO[C@@H](C)C1 1359276461 DJDXPNJXHMVWAK-VQTJNVASSA-N 436.556 4.597 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N(C)Cc2csc(Br)c2)cc1 1359308154 FTSIQYODABLXEK-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)c2nc(C)cs2)C1 1359315982 GAZJHAMGPZZALO-BEFAXECRSA-N 444.004 4.948 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 1360164115 OQHVWHUIKBRYFL-IBGZPJMESA-N 448.441 4.922 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC[C@H]2CCO[C@@H](C)C2)c1C 1360865647 GCDXRZAVVBFFGQ-KIZRIRGWSA-N 439.604 4.979 30 10 IJEE C=CCSCCNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 1435853208 VQPBTMABNUAWPT-UHFFFAOYSA-N 438.549 4.577 30 10 IJEE C=CCn1c(SCC(=O)N2CCC3(CC2)CC3(F)F)nnc1-c1ccc(Cl)cc1 1437419179 JOAPQHGURDRJPA-UHFFFAOYSA-N 438.931 4.524 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)CSc1nccn1-c1cccc(Cl)c1C 1442773036 YPXMTUMSKGXJJC-UHFFFAOYSA-N 427.932 4.727 30 10 IJEE C=CCSc1ccccc1NC(=O)COc1ccc(C)cc1I 1458956866 FNHHILMGMSCQPD-UHFFFAOYSA-N 439.318 4.895 30 10 IJEE C=CCC[C@H](C(=O)Nc1cc(N2CCOCC2)ccc1Br)c1ccccc1 1460106960 VGODFKGJJDQTEO-IBGZPJMESA-N 429.358 4.974 30 10 IJEE C#C[C@H](NCc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)c1ccc(Cl)cc1 1462303104 DRNCVGPLOMECPF-NRFANRHFSA-N 428.960 4.955 30 10 IJEE C=CCOc1ccc(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)cc1OC 1465185590 BHPADQMRNAWAIA-UHFFFAOYSA-N 439.552 4.909 30 10 IJEE O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1466845428 ABTGKXVUAICJOW-FUHWJXTLSA-N 435.339 4.759 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2sc(Nc3ccccc3C)nc2s1 1469877927 YSEXOQSEXDCFKC-UHFFFAOYSA-N 441.578 4.827 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 1472548691 YXYXUQXIXMBTFT-DEOSSOPVSA-N 444.531 4.687 30 10 IJEE COc1ccc(CN(C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c(OC)c1 1476580420 BQKKZYYBTBZADZ-UHFFFAOYSA-N 447.539 4.723 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1477903181 PVJFOMOQKUCTFZ-GOSISDBHSA-N 425.495 4.942 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1 1478257086 HBUANHRDSWTVPE-DYESRHJHSA-N 449.364 4.746 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1)c1ccc(F)c(F)c1 1478471933 ICUSZNNUWMFILD-LADGPHEKSA-N 426.463 4.792 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1478963934 DLBGUZFTANBNDP-FVTFTPSCSA-N 449.636 4.615 30 10 IJEE CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1493904890 BQIQVVVXMFSWTC-SFTDATJTSA-N 434.632 4.810 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)c(C)n1 1500518334 HUQBKHDNTOSEOW-UHFFFAOYSA-N 431.588 4.941 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1OCC=C 1507606804 XSIQXYWNXZTYCW-GOSISDBHSA-N 432.593 4.814 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCc2cccnc21 1507699852 KCWIDNXVOVDJNJ-FQEVSTJZSA-N 447.608 4.554 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C)s1 1507703130 QWDAHRKVDUISLU-KRWDZBQOSA-N 444.988 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1CCC(OC)CC1 1507772793 USZAHJOCOPIDSX-YDJYNLAZSA-N 436.600 4.617 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CCC[C@H]2C)CC1 1507877160 BUBDREIMALSQJV-QVKFZJNVSA-N 449.368 4.554 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCCC2(CCOCC2)C1 1507941468 KMAIRONXUSKDNT-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1507946045 IFCOMEACIILONW-GOSISDBHSA-N 429.996 4.697 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1Cc1ccnc(OC2CCCCC2)c1 1507997112 OREPBNHOQJFVGI-UHFFFAOYSA-N 442.567 4.806 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1(OC)CCCC1 1507998219 NRZGHEOEGXANRZ-UHFFFAOYSA-N 433.556 4.501 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)c1cccs1 1508011801 NMQMMRRARUPRDN-NRFANRHFSA-N 432.952 4.885 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCCc2nc3c(s2)CCCC3)C1 1508108865 JEVSQORNXRZTEM-MSOLQXFVSA-N 429.634 4.541 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1510288417 GRLXOZBAVHXDII-MHECFPHRSA-N 425.552 4.953 30 10 IJEE CC1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)CC1 1510344364 GYRPAQSVYKLFME-SFHVURJKSA-N 438.732 4.603 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1)C(C)(C)C 1519874609 BHKYJKJBXDNOOH-DBXWQHBBSA-N 441.645 4.989 30 10 IJEE C=CCN(C(=O)c1ccc(OC(F)(F)F)c(C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1522165000 FCODXIXNBXJSHC-LJQANCHMSA-N 435.442 4.696 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 1526208506 HSAAZKHTUKPGGA-HRAATJIYSA-N 426.358 4.677 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1530533470 BKJFDJIRHIVENM-WMZHIEFXSA-N 444.984 4.965 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 1532434587 KUAIVUHMQKBGOT-BENRWUELSA-N 425.286 4.758 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(C)cc2C)c2c1CCC2)c1ccc(Br)cc1 1535483506 LLGCLGYUNGMZHC-HXUWFJFHSA-N 448.364 4.845 30 10 IJEE C=CCC1(C(=O)N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CCCCC1 1536498936 OHFFOAKFLMUALZ-LJQANCHMSA-N 433.390 4.896 30 10 IJEE N#CCCN(C(=O)CCC(=O)Nc1nc2ccc3scnc3c2s1)c1ccccc1 1537169074 FPXPWJQJNTXBHG-UHFFFAOYSA-N 435.534 4.572 30 10 IJEE C=CCOc1ccc(OC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)cc1 1539141465 HMTXEHODCJGIPQ-IBGZPJMESA-N 437.414 4.794 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1csc(C)n1 1539345225 RPFCIHVNBNPCJG-UHFFFAOYSA-N 444.608 4.820 30 10 IJEE Cc1cc(C(=O)Nc2ccc(Br)cc2OC(F)F)nn1-c1cccc(C#N)c1 1539427750 FAKKWDFCOFVYKM-UHFFFAOYSA-N 447.239 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[C@@H](C)C1 1539617381 WDJFEIVNUJQVHS-JWPKLBNJSA-N 428.552 4.631 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1539917597 WTBLJLRISJXMFO-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ncc(Cl)n1C 1539925716 CHZCKPGINNTRFZ-UHFFFAOYSA-N 442.995 4.791 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1540021929 WQNVMGAPMGYAAF-RBUKOAKNSA-N 428.602 4.693 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1541510712 HAUZUWLMWDNGHL-LEWJYISDSA-N 434.632 4.952 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(Br)cc2)CC1 1544770035 GKRREMQIJSREER-HNNXBMFYSA-N 443.769 4.590 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nccn1CC 1556987062 SWJHRMRIMHUALV-QHCPKHFHSA-N 444.535 4.715 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)c2cn[nH]c2c1 1558446090 NZZZQNSCFFDAMP-OAHLLOKOSA-N 426.439 4.770 30 10 IJEE C#CCN(Cc1c(C)[nH]c(C(=O)OCC)c1C)[C@H]1CCOc2ccc(Br)cc21 1560702427 SFVOOKVISBPNNN-IBGZPJMESA-N 445.357 4.530 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccc(F)cc1 1564996382 WDKFKGZPOAWMHL-VQTJNVASSA-N 430.321 4.549 30 10 IJEE CC(C)(C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1cc(F)cc(C#N)c1 1565710264 AJCCNHCRJDNARB-FQEVSTJZSA-N 431.914 4.548 30 10 IJEE N#Cc1cccc(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c1Br 1584219977 CJPFTKCVNAUDOL-UHFFFAOYSA-N 433.155 4.776 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)CCCC1 1586149182 DVABJVYZZITPBL-FQEVSTJZSA-N 440.609 4.983 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](CC)C2CC2)c1 1586477969 ALXFQPJDKSNEGP-HXUWFJFHSA-N 432.973 4.640 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1587013092 ZYQXAGQNYJZPQM-LJQANCHMSA-N 437.471 4.735 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1c(C)noc1C 1587746108 JHCJMTBOKVXCMR-UHFFFAOYSA-N 442.361 4.752 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1589543971 DOIFVFCPCJGHHK-IMSXRSKXSA-N 438.616 4.850 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CCC(C)(C)C)CC1 1593625065 IJFVLPQHWLNHNO-UHFFFAOYSA-N 434.588 4.734 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1593757876 PYWXTZAUMZISKF-QFIPXVFZSA-N 437.613 4.876 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCN(CCC)C2)CC1 1594014271 QTFSANXZRQWJQF-DHIUTWEWSA-N 437.632 4.923 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nccn2C(F)F)CC1 1594134738 VBLZQGQXIXEXHS-UHFFFAOYSA-N 430.528 4.675 30 10 IJEE C=CC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCOCC(F)F)CC1 1594226898 VDFFEMSYGACMFV-UHFFFAOYSA-N 429.515 4.511 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H]3CC[C@H]2C3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594529692 WVEBWRZYBPTWFE-OKYOBFRVSA-N 429.609 4.640 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS1 1594559452 LLLDXENNBQHQAE-IBGZPJMESA-N 428.602 4.795 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@H](COC)C1 1594582566 RFHDIEPCELNDCE-BJLQDIEVSA-N 444.645 4.728 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(=C)CC1 1594799019 YBJZWQUVVXOABW-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1OCCC1(C)C)C1CC1 1595026005 BYGWJSBPOLNHPU-SFHVURJKSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CCCS1 1595132967 BCWQFGOIBJCFQT-AUSIDOKSSA-N 430.593 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1csc(COC)n1 1595149877 WPUKXGLLAUELSJ-UHFFFAOYSA-N 441.582 4.752 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCc2ccccc2C1)C(C)C 1595165189 CEBMRQBZSSGCBC-RUZDIDTESA-N 444.627 4.545 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@@H](C)C1)C(C)C 1595166722 WWIMTWFKCKIQNJ-SXWKCWPCSA-N 425.596 4.875 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(C)CCCS2)C1 1595745138 QCHYQJYSMNDOOI-XUZZJYLKSA-N 426.630 4.520 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C(=O)OC 1596795308 YDZGFKROQLHNDF-INIZCTEOSA-N 434.901 4.637 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1ccccc1F 1596849204 FZUBGQIXIKVEHS-FBBABVLZSA-N 427.568 4.564 30 10 IJEE CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1 1602986470 FSMWYSXHUZPERO-QFIPXVFZSA-N 448.571 4.793 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](C)Sc3ccccc3S(=O)(=O)CCC)cc2n1 1611184951 PNJAPFFLYMGHDE-MRXNPFEDSA-N 443.594 4.525 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1CCOc1ccc(Cl)cn1 1613446455 BVDRKVPYSVSTGP-XLIONFOSSA-N 438.963 4.686 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccccc1 1621945897 CJIXTLIFVPAXRO-XLIONFOSSA-N 435.973 4.741 30 10 IJEE COc1cccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2sc3ccc(C#N)cc3c2C)c1 1621959566 CTMFZJRRPZELBU-VLIAUNLRSA-N 426.563 4.862 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CCCC1 1622731718 HEUNJCVDAFFBHJ-UHFFFAOYSA-N 446.617 4.586 30 10 IJEE C=CC1(CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CN(C(=O)OC(C)(C)C)C1 1623030662 BDGPWANLCHWPIU-UHFFFAOYSA-N 425.356 4.691 30 10 IJEE C#C[C@@H](NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)c1ccc(Cl)cc1F 1623825960 VBKMORASYNQGGH-MRXNPFEDSA-N 437.924 4.706 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1628309904 SIYREALDGZEMEX-UHFFFAOYSA-N 437.359 4.791 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1NCC)c1ccccc1 1630286331 AVUIUZHDGAFEQW-AWEZNQCLSA-N 426.460 4.710 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 1633043438 JJUMLIILLHXLKJ-UHFFFAOYSA-N 444.457 4.804 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 1633905593 MUQRGKMVROSACQ-HBMCJLEFSA-N 432.561 4.557 30 10 IJEE C=CCCCCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1634764973 XBACFGJMUUDALD-UHFFFAOYSA-N 427.353 4.880 30 10 IJEE C=CC1(CC(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)CN(C(=O)OC(C)(C)C)C1 1634834595 KWCPMXAZLKROHE-HNNXBMFYSA-N 441.355 4.746 30 10 IJEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1)C(C)C 1635500018 KMKJRFGGAVKXNM-UHFFFAOYSA-N 440.609 4.886 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C 1636639530 BCTTYJPWBMLFAD-XHCCPWGMSA-N 426.516 4.551 30 10 IJEE C#CCC1(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)CCCCC1 1637104784 DEHADANSULJVGI-UHFFFAOYSA-N 446.956 4.759 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccc(C)cc3)C2=O)nnc1-c1cccc(OC)c1 1651850976 QRRTUURZGCVYOV-OAQYLSRUSA-N 434.565 4.736 30 10 IJEE C=CCN1CC[C@H](Sc2nnc(-c3ccccc3F)n2-c2ccc(Cl)cc2)C1=O 1652741493 KXMWCAGUVPESRX-SFHVURJKSA-N 428.920 4.606 30 10 IJEE CCOc1ccc(Cl)cc1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1660131313 FDFXUKKLOBPGMK-UHFFFAOYSA-N 444.322 4.814 30 10 IJEE C#CCN(C(=O)Nc1ccnc(OC(C)C)c1)[C@H]1CCOc2ccc(Br)cc21 1661007063 PMDWHVGCGBXDSI-SFHVURJKSA-N 444.329 4.622 30 10 IJEE N#Cc1nc(NC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)ccc1Br 1663862333 BEAYKTVWBMLQIO-CYBMUJFWSA-N 449.736 4.692 30 10 IJEE CC[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)[C@H](CC)CN1C(=O)OCc1ccccc1 1665115130 AHFWXJNLLIUOAL-PKTZIBPZSA-N 434.540 4.796 30 10 IJEE C#CCOc1cccc(NC(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)c1 1667078720 YZHKDBXZPCSSEW-UHFFFAOYSA-N 430.504 4.820 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 1669072286 CSMHJVOUFNMBBQ-IBGZPJMESA-N 433.577 4.980 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 1669922780 BVLFCHQRHCKINB-IBGZPJMESA-N 430.911 4.558 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 1670774776 DCUYMLWUOIFSGO-PZJWPPBQSA-N 436.474 4.794 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CC1 1670976584 DJYUBXAVDSUKBX-UHFFFAOYSA-N 446.401 4.594 30 10 IJEE C#Cc1ccc(CNC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)cc1 1672882715 PFQVLWCWQGRNAU-JIPXPUAJSA-N 442.559 4.553 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccc(Br)cc1 1674025716 KUWMTTCQWHFOPA-RTBURBONSA-N 433.733 4.560 30 10 IJEE Cc1ccc(CC2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)cc1C 1680627398 DSYIXRICWUFAMK-UHFFFAOYSA-N 446.595 4.924 30 10 IJEE C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)(C)C)nc1C2)c1ccc(Cl)cc1F 1683516832 JWUNDPKUNGMHHD-QMIHWGKISA-N 426.923 4.712 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1OCCC1(C)C 1690039668 OSFUMGSFEZLIFK-DEOSSOPVSA-N 448.611 4.648 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2)n1Cc1c(C)sc(C)c1Br 1690069884 ZASJGCOETPDPHD-UHFFFAOYSA-N 429.387 4.894 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@@H](C)[C@@H]1C 1690223159 HAHXAJTYJPRVRC-RYUDHWBXSA-N 445.789 4.976 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](CC)O[C@H](C)C1 1690304635 JFIHRJPTLMUHNR-QUCCMNQESA-N 444.645 4.872 30 10 IJEE C=C(Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690326075 RFPPEPGCSOXJGJ-RDPSFJRHSA-N 446.542 4.514 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1690445015 PZSNNTHLCRFWAN-LJQANCHMSA-N 447.612 4.694 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690456376 FPJAFXBPCPBDPX-IMFGXOCKSA-N 445.405 4.925 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1690490369 XWHBKGFEWZPWJQ-SFTDATJTSA-N 443.636 4.813 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H](C)c1nc(C)cs1 1690602135 JBHUZOBUBNGPIO-SFHVURJKSA-N 445.596 4.539 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC12CCOCC2 1690613268 BDJPKQRBBCMXQO-JOCHJYFZSA-N 438.616 4.698 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(Cl)s2)C1 1690707323 SVNHYYLQYKPCCX-SFHVURJKSA-N 428.989 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](c1cccnc1)C(C)C 1705548010 XCPDIYDYXHVMBV-QFIPXVFZSA-N 447.583 4.645 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCC(F)F 1705708730 GKIYFUCZEFCDHX-PGRDOPGGSA-N 434.531 4.547 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705721078 KVSVBIYPRVTNCZ-PMACEKPBSA-N 440.588 4.524 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC1CCOCC1 1705722503 PAGCHXOMVCJORH-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)C[C@H]1CCCO1 1705787295 NSBFCTMSSNOHLZ-OAQYLSRUSA-N 439.604 4.755 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1705813505 JUNAJPYZUKLKFV-OAQYLSRUSA-N 444.377 4.812 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705825280 PBNKLVZANPLXFH-GOTSBHOMSA-N 438.616 4.544 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC[C@H](F)C1)C1CC1 1705853684 DGQDCRUGVJSQIT-MJGOQNOKSA-N 447.599 4.686 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccs1 1705859835 ZUMRTLBATZOBRY-DEOSSOPVSA-N 438.597 4.621 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CC(C)C)C1CCCC1 1705895308 BIKMQIQSKTWNEH-UHFFFAOYSA-N 446.599 4.509 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCSC(CC)(CC)C1 1705947928 CQADBRWGIDTJID-UHFFFAOYSA-N 437.704 4.665 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC(C)(C)C1 1708234002 FOSZDACWBAMGNU-TZIWHRDSSA-N 437.588 4.560 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccc(C)o1 1722450677 BNOABWUFYIBUMI-KRWDZBQOSA-N 444.988 4.976 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(CCOC)CC(C)C 1722495773 TYPRTFLUOIUVLG-NZQKXSOJSA-N 438.572 4.781 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722536508 OTEMRWZQKOCRPD-KDURUIRLSA-N 430.618 4.654 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](COCC)C1 1722588127 KUBSRAXGRXESGX-UGKGYDQZSA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1722599730 GZQCVLFBHYFLHP-FQEVSTJZSA-N 439.604 4.961 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC)C1 1722627986 VQGQRQOTYNLSND-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722632224 LVKKQYMVRNDEPI-SBUREZEXSA-N 433.547 4.679 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccsc2)C1 1722711665 WFYHHGOSSFJUPC-GOSISDBHSA-N 445.386 4.599 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cscc2C)C1 1722721142 DGLQECCLXKIBGT-HXUWFJFHSA-N 444.988 4.710 30 10 IJEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2csc(-c3ccccc3)n2)n1 1724471840 DPBHYUZFGVWJRK-QGZVFWFLSA-N 443.580 4.611 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1740596232 XSDTWKKNXNXQKV-JOCHJYFZSA-N 435.597 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCC(=O)Nc1cccc(Cl)c1C 1740771214 XAMNMQXVYZSHJW-UHFFFAOYSA-N 438.963 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCC2)C1 1740844799 VDHGCRIUSUYVKP-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)CC1 1740862857 HEOBJPPGDFINIT-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2cnccn2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1740874949 LVEIKZFHERDSPK-SFHVURJKSA-N 445.340 4.611 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1740880475 WQWIRRMAHYVVPN-UHFFFAOYSA-N 441.595 4.665 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H](C(C)C)N1CCCC1 1740920478 OUHUSHUFUCYSKZ-XZOQPEGZSA-N 441.595 4.582 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1741000494 BCMYPYRCWLUJGA-QGZVFWFLSA-N 426.577 4.845 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(OC)C1 1741000561 SKKNZGPMRSAADP-HSZRJFAPSA-N 439.585 4.525 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1748655481 YZZNGEBSTPPJAV-VUHPKUFZSA-N 427.390 4.910 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCCCCC2)CC1 1748714200 WGEDQLISZVZCKS-UHFFFAOYSA-N 434.632 4.544 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1748723983 FYWQNNHQHYXQIV-HSZRJFAPSA-N 446.599 4.624 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1748889467 KVXLGORLPHAQQA-WOJBJXKFSA-N 425.458 4.573 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](OC)C(C)C 1749054326 RSDFQJRFRQDTPJ-XTQVGHSUSA-N 430.980 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCc1nc(C)c(C)s1 1749073306 KWJHEUIVRHBPNF-RUZDIDTESA-N 449.624 4.782 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CCCCC1 1749135120 CRDYYUMXJHDRSF-GBXCKJPGSA-N 442.579 4.994 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1749256734 BBGFSIHZJISQOR-UHFFFAOYSA-N 442.947 4.959 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1nc(C(C)(C)C)cs1 1749471109 JSJWPLCVQXVFHN-UHFFFAOYSA-N 441.601 4.581 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1749474309 PGISURZMYAXCJW-OALUTQOASA-N 445.995 4.895 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)N(C)C2CC2)C1 1749700367 JXEWMIANTVSTBU-CVDCTZTESA-N 437.632 4.507 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCO[C@H](C)c1ccccc1 1760125514 QOIURYIWVKSRDJ-OHUMZHCVSA-N 438.616 4.823 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(C(CC)CC)no1 1760199445 YZDODCHZMNRXLC-UHFFFAOYSA-N 439.922 4.750 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1c(C)coc1C 1760212858 HEYQGICKPAHHIL-QGZVFWFLSA-N 432.593 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1760291384 MYZBCWRPNKZNEK-HFJWLAOPSA-N 448.567 4.735 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@@H](C)C1 1760350510 KROZVPKWHIYFIP-NRFANRHFSA-N 449.599 4.561 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760359265 DCOKPQWJXVZUEY-DENIHFKCSA-N 449.426 4.676 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1760403610 ZQHANUOYAMHYKG-REWPJTCUSA-N 438.616 4.875 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1760441973 BAOFLRYAZNQZQV-INIZCTEOSA-N 449.393 4.590 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1760442513 CWBIBHCASGODQC-UHFFFAOYSA-N 436.604 4.768 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C\CC 1760486998 GYAYYIFYHKCNAT-WAYWQWQTSA-N 449.628 4.672 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760566729 BLUFVHRXWYANMT-FQEVSTJZSA-N 432.584 4.968 30 10 IJEE CCc1nc(C)c(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)o1 1762726212 BNWLMKUBZYEYBY-APWZRJJASA-N 436.560 4.680 30 10 IJEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nc(C)cs1 1763386166 IFLOWYOVROVHHW-QFBILLFUSA-N 436.585 4.676 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12 1858243068 OACPQCGBRJWBRL-UHFFFAOYSA-N 437.503 4.509 30 10 IJEE CCOc1ccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)cc1 1858908797 DCQCHVUTKIICPZ-LFIBNONCSA-N 441.487 4.897 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 1859555783 MXDHVPQMFWQVNR-UHFFFAOYSA-N 449.532 4.586 30 10 IJEE COc1ccc(CC(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)c(OC)c1 1860460184 AWWAQOYXTODYSW-UHFFFAOYSA-N 449.894 4.662 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861185624 ZDLIEWXDYCPENM-FYYLOGMGSA-N 447.639 4.799 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc3cc[nH]c3c2)c1 1862490698 BPGUXHOPDQNYGJ-DEOSSOPVSA-N 445.563 4.705 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc(C)c2)cc1 1862515936 WHRJMWJIZPPGBB-QHCPKHFHSA-N 437.536 4.525 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1862562793 OCVWMTBYURLMJA-LJQANCHMSA-N 442.393 4.659 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862584750 GUQZEAXPVUKRCC-IBGZPJMESA-N 448.302 4.751 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1cccc(F)c1 1862615342 JOGZCBQUXBLLMN-OAQYLSRUSA-N 425.500 4.738 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc2ccccc12 1862658743 UAYLRMLLRZTIOM-HXUWFJFHSA-N 442.298 4.717 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1862743940 HVNFCOXAPNBEES-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1 1862835290 TUDDOTPXZXEIAI-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccc(F)cc2F)C1=O 1862947789 BBZJXUCNLBJRRA-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CC(C)CCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(Br)cc2)C1=O 1863202571 GMBTXUROKDXDOQ-UHFFFAOYSA-N 438.325 4.559 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863633552 ZFWJZEPNGWIBQX-UHFFFAOYSA-N 440.415 4.585 30 10 IJEE CCC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867757068 VNQVSMJKMDEJAH-ROUUACIJSA-N 448.350 4.590 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@H](c1ccc(C)cc1)C(C)C 1868696150 RLWLJPIAOFOVAE-IZZNHLLZSA-N 448.607 4.758 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)C1(c2ccc(N)cc2)CCCCC1)c1ccccc1 1868929977 STFYZOQAPSWAJT-DEOSSOPVSA-N 431.580 4.529 30 10 IJEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 1870152861 OSSNQTVPSSUBQR-JLHYYAGUSA-N 449.514 4.987 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Br)o2)cc1 1870159598 QFCMTPUSHMBPAE-UHFFFAOYSA-N 448.280 4.722 30 10 IJEE C=CCOc1cn(CCCN(C)C)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870385576 DGABCRAVYLJOFT-UHFFFAOYSA-N 445.607 4.567 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871251057 LHPXQGBKMQIVIO-UHFFFAOYSA-N 427.508 4.587 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)ccc3C2=O)cc1 1871381765 BMALKQQARODCRM-AMUWGTMJSA-N 442.423 4.628 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)Nc1ccc(C#N)cc1 1871435766 BCJZTXJUZPALHX-HQXWYHRWSA-N 428.419 4.720 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450933 VUZIJEVJVZQYCC-JCRYTKJOSA-N 448.406 4.756 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871891446 LFLBCCADBCLJQE-KSSFIOAISA-N 426.991 4.632 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872061916 WUPCURRQQSAGID-JOCHJYFZSA-N 432.561 4.591 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1872434984 YXPDMNXYCRTEEH-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872456964 OCOLFYQEQMPKFD-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872507299 KNIRLCUXHVUTSC-IFXJQAMLSA-N 441.018 4.940 30 10 IJEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c(OC)c1 1872775749 ZBGXCOCPLMVGCO-JZLODUJNSA-N 438.480 4.865 30 10 IJEE O=C(CC1CCCCC1)NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccco1 1873766070 NLCGYELDGAJSSM-UHFFFAOYSA-N 435.549 4.729 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1/N=C/c1ccc(Br)cc1 1874399393 ONPFKICUBSFRJW-WXUSHSQQSA-N 445.386 4.549 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874403658 LFJBHXPDQTXYEZ-PCLIKHOPSA-N 436.581 4.508 30 10 IJEE Cn1cc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)c2ccccc21 1874445683 INFVXIOASBSTJD-LHXREVONSA-N 435.528 4.935 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1c[nH]c2ccccc12)Nc1ccc(F)cc1 1874495055 RRGDJWHXEBDRSL-LGJNPRDNSA-N 448.527 4.779 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(F)cc1 1874495590 UDGRDLXGEXZJQK-DHRITJCHSA-N 437.544 4.915 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccccc1OC 1874510351 OIVSHQHIARKLRW-ZVHZXABRSA-N 437.569 4.586 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Cl)cc1OC 1874573744 CNNPEFGDXGLYTD-SOFGYWHQSA-N 432.900 4.894 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)CCCOc2ccc(OC)cc2)c1 1874733233 SFWCMEYIMHSKPX-UHFFFAOYSA-N 437.536 4.707 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)c1cnccn1 1875176918 RCEYPVXFCNDQEL-SOFGYWHQSA-N 447.447 4.516 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1892137926 LQNBEVCIHZRDLN-NHCUHLMSSA-N 427.957 4.552 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C#N)(c2cc(Br)c(Cl)cc2[N+](=O)[O-])CC1 1902031004 SPUZMZLUGYWWJP-UHFFFAOYSA-N 444.713 4.803 30 10 IJEE CC(C)(C)OC(=O)NCCCN(CC#CBr)c1cccc(Br)c1 1982250993 HXUGXHRTGOYSQP-UHFFFAOYSA-N 446.183 4.526 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]2CCCC[C@H]21 2009368880 JYAHUPIYJQEYLV-ZOCZFRKYSA-N 434.541 4.606 30 10 IJEE Cc1ccc(C=CC2=Cc3c(sc(NC(=O)CN4CCOCC4)c3C#N)C(C)(C)C2)o1 2040459464 UNMRUEDTPSQZDL-UHFFFAOYSA-N 437.565 4.570 30 10 IJEE C=C(COCC)[C@@H](NCCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041899207 GWWNZUZZWKPWJW-ZEQKJWHPSA-N 446.632 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1)c1cccc(Br)c1 2072715370 KYMCHUQJVALCLG-IBGZPJMESA-N 426.310 4.970 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C3CCC3)c(C#N)c2I)c(F)c1F 2079894900 LVRRZUAOLHGFSI-SNVBAGLBSA-N 427.236 4.823 30 10 IJEE Cc1cc(O)c([C@H](C2CC2)n2nc(C3CC3)c(C#N)c2I)cc1C 2079970709 WMMZTOANKAHWBX-SFHVURJKSA-N 433.293 4.559 30 10 IJEE Nc1cc(-c2ccc(C(F)(F)F)c(F)c2)nc2c(Br)c(C(F)(F)F)nn12 2081233245 KQFRFQJHSDCMMA-UHFFFAOYSA-N 443.120 4.918 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2cccc(Br)c2C#N)C1 2106103156 BBXZNJYNUXUHFA-GFCCVEGCSA-N 430.293 4.625 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(C)c(Br)c1)NCCC 2159128034 NGQOMXSESYAZRD-WOJBJXKFSA-N 437.422 4.975 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2ccc(Cl)cc2Br)C3)OC1(C)C 2194123395 HLMYBSNJBUPSFB-CWTRNNRKSA-N 440.574 4.801 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2209724868 RQINBKRWOXWSJY-FQEVSTJZSA-N 443.385 4.826 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235725339 WOHHMJUBYUBSKE-HKUYNNGSSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 2235748275 YBTFNHKTYYLDFD-AQNXPRMDSA-N 433.390 4.567 30 10 IJEE CN[C@H](CC#CC(C)(C)C)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237405396 QZBCKJJIMPDQOX-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255844919 DJDXYSRNXZAPBO-CALCHBBNSA-N 430.354 4.522 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CC[C@@H](CC)N(C(=O)OC(C)(C)C)C1 2262206882 QBKKBNIFIWSSRY-PXDATVDWSA-N 447.572 4.799 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1 2266757417 QTOAKXQRAYCLCX-INIZCTEOSA-N 439.365 4.710 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2267513196 UCNJILOTVYIUME-QGZVFWFLSA-N 443.343 4.951 30 10 IJEE COc1cc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)ccc1O 2296179625 MTZCFYLGVZCCCQ-NRFANRHFSA-N 435.863 4.681 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)C#Cc1cccc(Br)c1 2296217581 WKTLDXJCHBYWFK-IBGZPJMESA-N 426.310 4.736 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2([C@H](O)C#Cc2ccc(Br)cc2)C1 2296271451 DOUXBOPNYVOSTR-LRXVAGHRSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2296293449 JSHWWRPJEDPRBX-YZGWKJHDSA-N 435.406 4.720 30 10 IJEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 2297741581 LWTXCJQENKKRSM-XMMPIXPASA-N 443.499 4.855 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1cccc(Cl)c1 2314522271 BCTRKUUIOTVEOH-QFIPXVFZSA-N 442.943 4.643 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2317346930 PBHYAMBDATYRND-QGZVFWFLSA-N 430.354 4.503 30 10 IJEE CCCOc1ccc(C=NNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1OCC 2323352048 LNBVSPUFNOPIBZ-UHFFFAOYSA-N 432.586 4.792 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2323423433 TXWXPEZVWHIVDA-UHFFFAOYSA-N 443.411 4.838 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323602114 DHRROHFSEPDQSD-UHFFFAOYSA-N 430.589 4.623 30 10 IJEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2325716020 XTCVFTWCMGOCQA-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)C=Cc3ccccc3)CC2)cc1 2325883752 OPIGZRFJADRFIP-UHFFFAOYSA-N 441.593 4.830 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(O)c(OCC)c1 2326683429 RDCNHSBCVKEPEA-UHFFFAOYSA-N 435.553 4.771 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1N=Cc1cccc(Br)c1 2326797643 HTMMQPKBTOCZEL-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE CCSc1nnc(CCc2ccccc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329480199 LZLLHIAPJVADNB-UHFFFAOYSA-N 430.961 4.734 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccc(F)c2)c1 2331496164 SYFFDCSVHSXWFO-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccc(Cl)c2)n(-c2ccc(OC)cc2)n1 2331662011 ROWUPWRGUGCTGL-UHFFFAOYSA-N 449.942 4.760 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2Cl)c1 2331729188 JWIXIVDIWUQBDG-UHFFFAOYSA-N 425.945 4.730 30 10 IJEE COc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cnccn1 2331767716 FQRDSZKZOZWIKB-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575110 RKTXMJJLNJEZCS-AWHXWDPHSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575213 SWSBLJBCYAMDCL-JKIKYLSZSA-N 444.381 4.895 30 10 IJEE Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3cccc(Cl)c3)CC1=O)N2 17095130 CMMRZYIEGPYWHZ-YEJXKQKISA-N 426.854 4.934 30 10 IJEE Nn1c(N/N=C/c2cccc(Cl)c2Cl)nnc1SCc1ccccc1Cl 21316250 SXRXVUGPQZCUDQ-ODCIPOBUSA-N 427.748 4.690 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)NC[C@H]2CCCO2)cc1 22691533 LUDCJESJCGRJJO-LJQANCHMSA-O 447.571 4.863 30 10 IJEE COCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C1/CCc2ccccc21 33782315 PNOQWDOIUJZYSU-KYWUOHLCSA-N 429.492 4.564 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C/c2ccc(O)c(OCC)c2)C1=O 33872127 UOCLJSWHCGGXCY-WOJGMQOQSA-N 445.924 4.988 30 10 IJEE COc1ccc(C(=O)/C=C\c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c(OC)c1 34954446 MNIGVSFZSXLSFJ-XFXZXTDPSA-N 433.416 4.727 30 10 IJEE Cc1ccc(COc2ccc(/C=C3\S/C(=N/c4nnc(C)s4)N(C)C3=O)cc2)cc1 39866104 UOYGKLKZQVDDQT-POJNRUHKSA-N 436.562 4.968 30 10 IJEE CCCCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc(OCC)c(OC)c3)NC2=O)cc1 39888288 ZANRXSLGHSXGDW-LWROZRRASA-N 439.581 4.601 30 10 IJEE C=CCc1ccccc1OCCn1c(CCCNC(=O)c2ccccn2)nc2ccccc21 40184468 BTKIEDXVMRYLAY-UHFFFAOYSA-N 440.547 4.601 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] 41012185 IADWLEVRAOKBIB-VIFPVBQESA-N 444.494 4.851 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 41502131 HHEYHMNHZFQZHM-QRVIBDJDSA-N 430.456 4.985 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(Cl)c(OCC)c(OC)c1 63402944 JCIRYPPOZBNJJE-UHFFFAOYSA-N 433.892 4.553 30 10 IJEE C=CCOc1cccc(NC(=O)CNc2ccc(NC(=O)CCc3ccccc3)cc2)c1 66093685 OROYXQDUSXCOOM-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1OC(C)C 169976437 ZUGQWNQGAJILFI-NRFANRHFSA-N 443.927 4.742 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccncc1 170022199 MFERVYGXNCHEBM-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)o1 170103225 WMYSOXSOWHNBKO-NRFANRHFSA-N 439.427 4.993 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(C)c2)cc1 170145046 ZPHBTTCWLJAJBX-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccn2)c(C)c1 170175664 QMSZRCSZVOFZBD-XMMPIXPASA-N 440.499 4.806 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1c[nH]c2ccccc12 170253980 BOFCAECRDPMUHY-QHCPKHFHSA-N 446.547 4.999 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)cc1 170256871 QAJYDPXVQRGANQ-OAQYLSRUSA-N 435.501 4.631 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268551 NJCUXDXQRZUVGB-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1C 170272222 NICOBJDNRDWZED-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)cc1C 170283755 LISAYGDIPKLVOA-QFIPXVFZSA-N 433.460 4.865 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(OCc2ccccc2C)cc1 170438680 IFCIEUWRIFRQKK-QFIPXVFZSA-N 437.536 4.531 30 10 IJEE CCOc1ccc(C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 170536257 QJMKKMMLAJNCRG-UHFFFAOYSA-N 425.492 4.868 30 10 IJEE CC(C)CNC(=O)c1c(N)n(N=Cc2ccc(C(C)C)cc2)c2nc3ccccc3nc12 254464010 WJQSTJYBBPVTDB-UHFFFAOYSA-N 428.540 4.558 30 10 IJEE N#Cc1ccc(Nc2ccc(I)c(Br)c2)cc1[N+](=O)[O-] 312319320 ZELCBVPIOBXGAQ-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CC1(C)CCSC(=Nc2cc(Br)ccc2I)N1 383135748 ZKDWTNWPXYMRSG-UHFFFAOYSA-N 425.133 4.546 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)c1 437813809 GMUPAWWJLPDWFC-LOSJGSFVSA-N 438.531 4.628 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cncn1Cc1ccccc1 445596594 JOLCBZHUXUVYIC-UHFFFAOYSA-N 431.565 4.889 30 10 IJEE N#CCCCN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)c(Cl)c3)ccc21 469972553 KOYLDAVOLSHBBP-UHFFFAOYSA-N 432.307 4.594 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@H]2c2cccn2C)n(Cc2ccccc2)c1C 472339653 UCAMHMCFPJAWCC-DEOSSOPVSA-N 429.568 4.529 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)cc1 475451055 XUXJWUMCDJWOGP-QGZVFWFLSA-N 430.508 4.949 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)n1 511740550 KFRDUISGLPXLDR-UONOGXRCSA-N 430.361 4.524 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)cc1 524623839 RVNFLMJVDMSFEZ-DEOSSOPVSA-N 429.520 4.682 30 10 IJEE C=CCn1c(SCc2nnc(C)n2C2CC2)nc2scc(-c3cccs3)c2c1=O 539248042 ITCOENWQJPLAMR-UHFFFAOYSA-N 441.607 4.900 30 10 IJEE CCOCCCn1c(CC23CC4CC(CC(C4)C2)C3)nnc1N1CCC(C)(C#N)CC1 582015696 LKXRCPPWBLAICU-UHFFFAOYSA-N 425.621 4.594 30 10 IJEE CSc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586232630 XWNVEDABVODAMY-UHFFFAOYSA-N 439.518 4.584 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c2)cc1 589446068 HWHKIJRUWAVHNX-VWLOTQADSA-N 430.479 4.921 30 10 IJEE C=C1CCC(C[C@@H](NN)c2ccc(I)c(Br)c2)CC1 724589739 JAHXQDYKKBQHGF-OAHLLOKOSA-N 435.147 4.695 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 729562734 BYARLTVNZANNOY-NQIIRXRSSA-N 429.561 4.895 30 10 IJEE C=C(C)[C@@H](CO)SC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 753856952 BJBHZYYVRQZTFC-GANRHZMWSA-N 434.970 4.824 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)CCCN1C(=O)OC(C)(C)C 790698160 IELSXIQJXYZZQU-QMHKHESXSA-N 432.565 4.640 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(C)=C(Br)C1 809907571 BCOFQIDQHXHXJT-HKUYNNGSSA-N 429.362 4.588 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 810473449 CARKQDDISIHYOT-LJQANCHMSA-N 442.824 4.854 30 10 IJEE CC(=O)c1c(C)[nH]c(-c2csc(=Nc3ccccc3C#N)n2Cc2ccnc(C)n2)c1C 917647371 IDNLTRAXNPQJAU-UHFFFAOYSA-N 442.548 4.615 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c[nH]c4ccccc34)n2)cc1 1083950263 KDPVWKLQUSVWAL-HNNXBMFYSA-N 447.568 4.976 30 10 IJEE CC/N=C1/S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)C(=O)N1CC 1084244705 RJOFVYQLXDCOAF-DBPHPPTCSA-N 445.972 4.846 30 10 IJEE C=CCn1nc(C)c(C=NNc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c1C 1084379958 IOBPWWJQSGKDQP-UHFFFAOYSA-N 436.372 4.849 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1 1116572806 ZOCZUOMPQTZVMR-LEWJYISDSA-N 434.458 4.790 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1 1125749053 XHSACCMMBWTJTK-DEOSSOPVSA-N 429.516 4.820 30 10 IJEE C=CC[C@@]1(C(=O)N=c2n(CC)c3ccccc3n2CCC)CCCN1C(=O)OC(C)(C)C 1128062537 VUPCOPSCPZCMKZ-VWLOTQADSA-N 440.588 4.646 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc1Cl 1128598096 LARRQEWTIRXOPQ-UONOGXRCSA-N 433.401 4.641 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 1134728262 IIFKIPMTRJZBPC-HXUWFJFHSA-N 448.592 4.896 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)cc1OC 1140781167 JLMXLCSQPPBOBV-UHFFFAOYSA-N 430.932 4.639 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 1141919966 GDUYJZTZROQWSI-LJQANCHMSA-N 449.979 4.677 30 10 IJEE C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 1164534937 KKEHJNIZJQAWNT-SFHVURJKSA-N 432.593 4.770 30 10 IJEE Cc1c(S(=O)(=O)N(C)Cc2ccc(Br)s2)sc2ccc(C#N)cc12 1184576009 ABKXSKPNYIKAJM-UHFFFAOYSA-N 441.397 4.726 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@](C)(O)c2ccccc2Cl)cc1OC 1201890334 XOFXKEHVHPDEOU-HXUWFJFHSA-N 440.765 4.673 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1222088880 SZDJQJHZRSALEZ-MSOLQXFVSA-N 449.866 4.712 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 1224901668 FCZMMLLUKYARJP-UHFFFAOYSA-N 430.379 4.803 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 1229664725 ZMGGISGMYXQZDI-UHFFFAOYSA-N 440.401 4.942 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2OC)C1)c1ccc(F)c(F)c1 1234565774 GYZVKQCDTNYIFB-JTSKRJEESA-N 443.494 4.651 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 1251370472 BXCMAZXZQSRNKW-UHFFFAOYSA-N 431.761 4.979 30 10 IJEE CCOc1ccc2c(c1)[C@@H](NC(=O)c1cccc(OCc3ccccc3C#N)c1)CCO2 1269721116 DGJAQHKJODHEPE-DEOSSOPVSA-N 428.488 4.790 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2csc(C#N)c2)C1 1273337975 HJMCXXBZEYPLDP-YLJYHZDGSA-N 443.544 4.529 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC(c2ccccc2)C1 1286272363 BBGRILDBMVQGAP-KLHKWILBSA-N 438.373 4.687 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@](C)(CC)C1 1286498552 JLMDYKPQSXODQW-HXOBKFHXSA-N 444.670 4.503 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1286531003 SWTCBYJFMYPWER-IBGZPJMESA-N 433.394 4.538 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1286686857 DFRYVICUDRUVDW-IBGZPJMESA-N 430.543 4.756 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccnc(C(F)(F)F)c1 1286722031 ONYBGEXEGRTQPL-UHFFFAOYSA-N 426.446 4.521 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1cccc(Cl)c1 1286760033 WNEOROFUAXYNQU-QFIPXVFZSA-N 428.989 4.670 30 10 IJEE CC(C)(C)OCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1288989586 GANYVAQKEPCFHP-KRWDZBQOSA-N 425.916 4.518 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 1290541301 OGMZSDGSWHNRHF-QGZVFWFLSA-N 432.952 4.737 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](CC(C)C)C2)o1 1294041967 GJOVTLJXIIPKMB-HXUWFJFHSA-N 432.572 4.986 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(cccc2OC)C1 1300376236 ILOYSRJVNLZAPN-FYYLOGMGSA-N 436.600 4.572 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCCN1CCCC[C@H]1C 1300563382 HYZMQOUILXSFMI-JOCHJYFZSA-N 443.595 4.809 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCCc1nc(C)cs1 1300790897 ZRPDEZKABFQYRB-JOCHJYFZSA-N 441.004 4.773 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1300809063 RSOYGUMQZCLHJI-LZYPDUGYSA-N 437.607 4.511 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1300851355 QNGZBOLRZSMKMQ-MRXNPFEDSA-N 449.303 4.606 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CC1CCN(c2ccncc2)CC1 1300907241 XLXKJPGSJPILIP-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C=C)CC1)c1ccccc1 1301163627 KZGWZECCOZLNTL-JOCHJYFZSA-N 442.567 4.688 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1301166310 UAPWBCXEHMUZIX-AQNXPRMDSA-N 434.506 4.921 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1c(C)cccc1C 1301310411 OULSYYJZBYTQCO-NRFANRHFSA-N 439.604 4.832 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccc1OC(F)F)C1CC1 1301320961 RYQCBXPXNLQUSO-UHFFFAOYSA-N 445.901 4.992 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)C1[C@H]2CCC[C@H]12 1301600533 BYUJKCRERCYKKE-STQMWFEESA-N 439.448 4.923 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Cl)cc1Br 1307414087 HTWDTBPSVGUPDP-GOSISDBHSA-N 437.765 4.626 30 10 IJEE COc1ccc(Br)cc1[C@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C#N 1307443354 BLZSFIGQZVIZCL-QGZVFWFLSA-N 448.386 4.783 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(Cl)cc(Br)c1OC 1309086198 XCLOIDSVZQSKGT-UHFFFAOYSA-N 448.741 4.627 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2c(F)cc(F)cc2Oc2ccccc2C)c1 1311015176 UQDSTAQJOPUJRP-UHFFFAOYSA-N 435.430 4.807 30 10 IJEE COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)Nc1ccc(Br)c(C#N)n1 1311071417 BGPPGCAUDHZHSH-AWEZNQCLSA-N 429.318 4.591 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)CCc1ccc(I)cc1 1312628319 DKNRVGMBPVAABV-MAUKXSAKSA-N 426.342 4.753 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1312855692 XTPVRSCDRLROKO-UHFFFAOYSA-N 442.401 4.811 30 10 IJEE C#CCN(C(=O)c1noc2c1CC(C)(C)CC2)[C@@H]1CCOc2ccc(Br)cc21 1353634153 KMGQEULCFSCNDC-QGZVFWFLSA-N 443.341 4.551 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 1353666720 GRDICKTYQYDLCO-UHFFFAOYSA-N 433.939 4.737 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(C(F)F)ccc2F)c(C(=O)OCC)c1C 1353746595 QYPNFEPTANSVGI-UHFFFAOYSA-N 441.427 4.905 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@H]1CCCCO1 1358879881 ZZLUHKUUNGXQJN-IEBWSBKVSA-N 445.405 4.823 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)=C(Br)C1 1358920126 SOZFBARRRBWPDF-MRXNPFEDSA-N 447.352 4.850 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC(C)CC1 1359093115 KFHMDTCKCANVDK-GQACYLMRSA-N 439.560 4.849 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC 1359093778 SKBLUSCCXWGNLB-RDTXWAMCSA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1CC(C)(C)N1CCCCC1 1359115519 BXFDFDBFIQOMLL-UHFFFAOYSA-N 425.621 4.832 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@](C)(O)CC 1359116775 YDHQPJFUBUBCEB-HXUWFJFHSA-N 427.376 4.727 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H](C)N2CCCCC2)CC1 1359166370 QAIYHXAAMYIAOU-IBGZPJMESA-N 429.559 4.568 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1359174075 WBROZKSBJKQTPZ-QPPBQGQZSA-N 437.632 4.576 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(OCCC)nc2)CC1 1359180905 XJDGYFZRRZDLII-UHFFFAOYSA-N 431.584 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(OC)C1 1359184688 XAUMYAJXQPTOFS-HXUWFJFHSA-N 436.398 4.643 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1359243875 HSLSKJXWBGDGMS-ZEQKJWHPSA-N 438.616 4.982 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1C[C@H]1CCCn2ccnc21 1359254473 SJJGKFZNFRCDSK-TZIWHRDSSA-N 434.588 4.767 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCO[C@H]1CCCC[C@@H]1C 1359257635 QDIXLJBUWZJNOH-NKKJXINNSA-N 449.599 4.789 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(Br)cn(C3CC3)c2=O)c1 1435027011 DCWRXABHPHXDCM-UHFFFAOYSA-N 447.332 4.774 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)cc21 1439757483 NDCHLNGEGRBPNJ-UHFFFAOYSA-N 428.414 4.620 30 10 IJEE C#Cc1ccc(C(=O)N(CCOc2cccc(Br)c2)C[C@H]2CCCS2)cc1 1448938063 XJRAXFTXFGEWNP-OAQYLSRUSA-N 444.394 4.847 30 10 IJEE C#CCN(C(=O)c1cc(Cl)ncc1Cl)[C@H]1CCOc2ccc(Br)cc21 1456451763 VHYDQBSVPXXWKY-HNNXBMFYSA-N 440.124 4.750 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)cc1C#N 1458787299 XAWKSJODSFSGIK-CYBMUJFWSA-N 449.376 4.823 30 10 IJEE C#CCN(CC)[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 1459604618 ARNQTESMHHGNBY-HTAPYJJXSA-N 438.593 4.685 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 1468847713 JFUOPBUTYVLSSF-LJQANCHMSA-N 435.524 4.838 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1Cc2cccc(Br)c2C[C@H]1CC 1468849109 WNWCOPAQURFMGA-GOSISDBHSA-N 427.342 4.508 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1ccc(Cl)cc1F 1470664856 AEHUWYBWILDYSP-XGXHKWSGSA-N 433.708 4.553 30 10 IJEE Cc1[nH]nc(NC(=O)CSc2ccc(C#N)cc2)c1-c1ccc(Br)cc1 1472456864 GGOBXTMVTWIBJT-UHFFFAOYSA-N 427.327 4.750 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H]([C@H]1CCOC1)C(F)(F)F 1472934913 QXJKKAORQHAVHJ-BLLLJJGKSA-N 433.883 4.756 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C)c1ccc(F)c(F)c1 1476720453 KZCQCSMXYUWULJ-NRFANRHFSA-N 442.466 4.501 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)C2=O)cc1 1477824758 CGOHVSFYLMVHHW-FGZHOGPDSA-N 436.943 4.548 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 1478482181 HIHLAKWVCXHGFK-SBHAEUEKSA-N 442.485 4.765 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@H](c1ccco1)N(CC)CC 1507771290 YLDUOGHOHHINLW-YIXXDRMTSA-N 445.611 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)CCc2ccc(O)cc2)nnc1C(C)(C)C 1507811522 RWEIYZRUEOKKLC-DWLFOUALSA-N 426.605 4.720 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1507909303 ZXOUOHYSLIMBQQ-FDDCHVKYSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCO1 1508008597 HJQHAUBNKJDQRY-QGZVFWFLSA-N 429.977 4.817 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCc2cc(OC)ccc21 1508021092 UFUVHQHXQYABQB-NRFANRHFSA-N 429.568 4.571 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1cccc(C)n1 1508036546 DSLFZWNSUOKVSU-UHFFFAOYSA-N 433.600 4.828 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508051625 ZKSLORDKJQOYEP-MRXNPFEDSA-N 449.958 4.759 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)Cc2ccn(-c3ccccc3)n2)s1 1527417310 BCZPVLPUZWUUNQ-UHFFFAOYSA-N 433.002 4.683 30 10 IJEE COc1cc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c(F)cc1C#N 1530181565 GRESJFIZMRQTNF-UHFFFAOYSA-N 429.860 4.925 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 1535722471 UVBMFGDGMNHPAT-DEOSSOPVSA-N 426.560 4.996 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 1536398853 NUDJVSNNQCUXRS-OAQYLSRUSA-N 446.469 4.615 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(Br)sc2Br)cc1 1538169587 KBEYWYNBWLSABR-UHFFFAOYSA-N 430.117 4.642 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(OCC2CC2)c1 1538973816 QFFJJOZLDTVISA-CVDCTZTESA-N 429.568 4.510 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccsc1 1539104611 MHFIAUIYNYJEAP-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539519536 KEPUXMJPSUVCSS-IYBDPMFKSA-N 438.975 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCCCCC1 1539539811 ZEIOCSKNIWBEFR-YADARESESA-N 440.563 4.635 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539612541 NGVZRPMWMQISES-LJQANCHMSA-N 445.405 4.905 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1539621536 AOSPXEMYTSJAHP-AZUAARDMSA-N 445.489 4.577 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2conc2COC)CC1 1539835193 ACKQSZRIMDCIJW-UHFFFAOYSA-N 434.327 4.591 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2c(CC)noc2C)CC1 1539859966 ZFQYTPHYKHTGRF-UHFFFAOYSA-N 439.585 4.643 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)c2ccc(OC)cc2)CC1 1539898109 OSQZIHLPRGCKIK-UHFFFAOYSA-N 448.615 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1nccs1 1539906425 NTXBCFKAWOGKCN-UHFFFAOYSA-N 449.422 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1539912254 FFMVQKUAEADLOR-HXUWFJFHSA-N 447.583 4.917 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCCCC[C@@H]21 1540042823 RWOHFVYNPRTUCG-CTNGQTDRSA-N 428.552 4.748 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCCN1CCC(C)CC1 1540128024 ZQCLRULKVVJZQY-UHFFFAOYSA-N 444.627 4.963 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)cn2C)n1CC1CC1 1540133441 GCPZWJZWCIJSFS-UHFFFAOYSA-N 444.352 4.788 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[C@@H]1CC 1540881605 NSNKTHMNNWFPST-UWJYYQICSA-N 437.613 4.872 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](OC)C1 1540911440 XVMMQDMIBZBUGH-FUHWJXTLSA-N 432.659 4.666 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C(C)C)CC1 1540922728 WTNMRNNKSDFFJI-UHFFFAOYSA-N 445.702 4.719 30 10 IJEE CC(F)(F)CCn1c(-c2ccc(Br)s2)nnc1N1CCC(CC#N)CC1 1541894764 AMLRUDIXNZMXBK-UHFFFAOYSA-N 444.349 4.944 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2c(C)noc2C)s1 1542833682 DNADJSVGJPVSGX-CQSZACIVSA-N 447.568 4.627 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NC[C@]2(O)CCCc3ccccc32)cc1Cl 1543454143 BGXNMVRQTSWGCZ-RUZDIDTESA-N 432.907 4.958 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccccc3)[C@@H](CO)C3CC3)c2)cc1 1546187058 FIIPUTYWKUPVOP-SANMLTNESA-N 426.516 4.551 30 10 IJEE C=CC[C@@H](CO)CNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 1546311076 YESIQHKLOBOQNL-LJQANCHMSA-N 430.504 4.646 30 10 IJEE CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1546594191 DCUHGXNWSRCRGA-UZLBHIALSA-N 436.947 4.569 30 10 IJEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1555448619 AGGVEVSPQZIIKT-ZJSXRUAMSA-N 444.583 4.514 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1558111015 XMRYWOXQVHQDRC-QGZVFWFLSA-N 432.549 4.514 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)c1ccc(C(=O)NC(C)(C)C)cc1 1559915802 AJBOCMKHESPOBX-QGZVFWFLSA-N 438.597 4.684 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@](C)(CC(=O)OCC)C(C)C 1562929115 HRGYLLPQXRDYPU-IBGZPJMESA-N 427.339 4.503 30 10 IJEE C#CCN(CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1)C(=O)OC(C)(C)C 1566055795 RKEYOBQSDKNEHN-UHFFFAOYSA-N 438.490 4.851 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 1567946756 WKJUNKTUNGESJH-MRXNPFEDSA-N 443.466 4.766 30 10 IJEE C=CCC[C@@H](NC(=O)C1(c2ccc(C)cc2Br)CCCCC1)C(=O)OCC 1569186629 HHJYGGVHIDAUDC-LJQANCHMSA-N 436.390 4.974 30 10 IJEE C#CCN1CCCN(C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1 1586497017 IDOATOVLLMYDPI-UHFFFAOYSA-N 436.408 4.562 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[C@H](C)C1 1587600397 YLDSQWYHQPCTQY-HRCADAONSA-N 431.378 4.610 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cccs1 1587712261 QYUXZQOTMHXMAI-UHFFFAOYSA-N 432.391 4.580 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1587770255 XINVLCUWZGUMBM-UHFFFAOYSA-N 448.514 4.637 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1587834776 GHDWPJIKZVWZRP-HDICACEKSA-N 446.542 4.883 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCO[C@@H]1CCCC[C@@H]1C 1588011854 MLXMFIZDKLXJGP-JTHBVZDNSA-N 438.616 4.954 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1CCCC[C@H]1C 1588302470 ZBGOLNHJCZNJSK-OAQYLSRUSA-N 432.616 4.551 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1CC 1589007727 PLHNISRHQVSCQS-CYBMUJFWSA-N 425.421 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(CC)C1CC1 1589151252 VQJSFKJRMVNMPL-HFZDXXHNSA-N 435.616 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(C)CCCO1 1589609474 ZPQLNRYEEMIORV-NRFANRHFSA-N 449.393 4.688 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1593717343 DWBWZWBLLJVTMU-UHFFFAOYSA-N 448.958 4.627 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1)c1ccccc1 1593788708 CUHZQZLMNRDFSL-GGAORHGYSA-N 437.632 4.711 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2cnn(CCOC)c2)CC1 1594208194 CYEMEELIBYJJCT-UHFFFAOYSA-N 448.615 4.536 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCCC[C@H]2CC)CC1 1594407996 AJEXTBSNAAZNCQ-HSZRJFAPSA-N 437.632 4.567 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1594408430 HYJWNHGOLAQIMM-QHCPKHFHSA-N 435.641 4.830 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 1594504523 VZXRQVNBGGHBSY-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1)c1ccccc1 1594545375 SXDZTJYMTJFNNQ-DNQXCXABSA-N 438.616 4.926 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CCc1ccc(Br)s1 1595085276 SVMPSJUHUVWSRA-UHFFFAOYSA-N 442.386 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC[C@H]1CCO[C@@H](C)C1 1595161465 ARBIRKCHZNZXLO-PMACEKPBSA-N 437.613 4.723 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1595323945 HOPPMYOOBFLUKY-KSSFIOAISA-N 445.386 4.922 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1595878622 QNXMLSMTRGMZDG-VXKWHMMOSA-N 447.693 4.531 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(CC2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1611911177 FFVOCSXTEQHWBM-NRFANRHFSA-N 435.469 4.828 30 10 IJEE CC[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@@H](C)C3 1613394139 ALYBIFDMHXRDNM-ZIAGYGMSSA-N 425.579 4.975 30 10 IJEE CCCOc1ccc(/C=C2/S/C(=N/c3ccc(C(=O)O)c(O)c3)N(CC)C2=O)cc1 1614234694 ZETCOPDLOSAYOU-GTXWLNMASA-N 426.494 4.503 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 1618652481 AARWKGZSWKBFIN-KNTRCKAVSA-N 443.503 4.952 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cn(C)nc2C2CCCC2)c1 1621744953 WDUXNQSODUGCJE-UHFFFAOYSA-N 425.579 4.516 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)Cc1c(Br)cccc1OC)c1ccccc1 1622506329 JKYCZSPXMLWWOD-LJQANCHMSA-N 438.387 4.975 30 10 IJEE C#C[C@@H](NC(=O)Cc1sc(SC(F)(F)F)nc1C)c1ccc(Br)cc1 1628541934 AFBWIQDHXGGARN-GFCCVEGCSA-N 449.317 4.859 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 1635729895 HCKFZGUCYJKCKX-BZSNNMDCSA-N 440.968 4.510 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)CC1 1638135102 WOHNFGLRLPVRBT-LUHVKKMXSA-N 434.580 4.563 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1C 1653301712 FWSCQDLVQNGKFJ-QFIPXVFZSA-N 446.378 4.930 30 10 IJEE Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCN(c2ccc(C#N)cc2Cl)CC1 1653448259 CJZVLMBROMIBIE-UHFFFAOYSA-N 440.378 4.741 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@@](C)(O)c2ccccc2Br)cc1OC 1657861091 UPHXUXXYXRXGHM-HXUWFJFHSA-N 440.765 4.673 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 1658658926 GCHFLAUQZWOHIW-UHFFFAOYSA-N 438.616 4.811 30 10 IJEE N#Cc1c(NC(=O)CCN2CC[C@@H](c3cccc(Br)c3)C2)sc2c1CCC2 1658702155 HIXPFSSJUKOKJJ-OAHLLOKOSA-N 444.398 4.689 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1 1661018956 QBTAKLPHWOCOGK-UHFFFAOYSA-N 429.307 4.572 30 10 IJEE C=C[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1 1667477786 RFXLFKDAGYEXRG-SFHVURJKSA-N 443.569 4.658 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC2(CC1)C(F)(F)C2(F)F 1670845666 SEPDUPCTTDSCAG-UHFFFAOYSA-N 437.231 4.912 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)cc(OC)c1OC 1671081010 NRSVKUDEATVSAR-UHFFFAOYSA-N 443.569 4.647 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(Cl)c1 1673387599 ZDMCWCXWWNFXHM-AOOOYVTPSA-N 446.725 4.956 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)cc(OC)c1OC 1676275683 ZPHZRTBJFCGODT-UHFFFAOYSA-N 437.584 4.588 30 10 IJEE C#CCN(C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCCc2ccccc21 1676605641 JEURXNRSKCKPFQ-BCQCSXDESA-N 445.607 4.518 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C)c1ccc(Cl)cc1 1677474676 GZVMBQXOJWEUFX-INIZCTEOSA-N 425.337 4.672 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 1679822461 HSGGGGTWUAPZNX-INIZCTEOSA-N 442.343 4.697 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)CC2)cc1 1680330743 CECOZNLRUKAHDU-HXUWFJFHSA-N 442.485 4.745 30 10 IJEE C#CCCCCNC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1680530500 IRYXRMWASHBZIZ-UHFFFAOYSA-N 445.563 4.690 30 10 IJEE C#CCN(CC#CC)C(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1680793606 GBLLWSKPCQYWJG-NRFANRHFSA-N 432.417 4.633 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 1683502227 HMOXJNPLJOSCEM-CTNGQTDRSA-N 445.991 4.693 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC[C@@H](COC)C1 1689918224 VPBZWDGZCCDFMM-GOSISDBHSA-N 445.405 4.682 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N(C)Cc1cc(Br)cs1 1689923447 SPNXYSLRDIBXJJ-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CC(OCC)C1 1690195976 UIFZJFKTBNPYFL-HOOCXSQJSA-N 444.526 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CC[C@H](C)N(C)Cc1ccccc1 1690209250 POCIMISCBJURMI-WXVAWEFUSA-N 433.644 4.914 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCn1cc(Cl)cn1 1690258730 RGMNTTZFFGVHEP-UHFFFAOYSA-N 449.784 4.660 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)CC(N)=O 1690454014 QOSSDKGVCKXJIL-AWEZNQCLSA-N 431.993 4.870 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C)cs1)C1CC1 1690539718 JVXGEAKVTVIJNA-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1CC1(OC)CCC(C)CC1 1690604635 YDFKIDIRDNTKHZ-NHXWLTBQSA-N 438.616 4.612 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN1CC 1705620178 NHNHVOBHSGYWMG-JOCHJYFZSA-N 425.596 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(OC(C)C)c1 1705704133 QRPPKQUDNAMIFM-ISKFKSNPSA-N 447.583 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)C[C@H]1CC 1705707156 GBCGJIXQDMNKEB-PYXMZCFHSA-N 430.637 4.803 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(C)CCOCC2)CC1 1705765951 IHIPXCOAWXUUHC-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(C)c1nnc(CCCc2ccccc2)n1Cc1ccsc1Br 1705845142 IMIYMBAYCVXTQX-UHFFFAOYSA-N 431.403 4.948 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCCS1 1706921506 BOHSOHCAWLYFDB-IEBWSBKVSA-N 443.592 4.973 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(CCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)(N(C)C)C1 1708027045 GVMPGCQKGYXOFG-VYCLJVNGSA-N 448.659 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCOc1cccc(C(F)(F)F)n1 1722287556 ONPMMMXPDKQKJM-AWEZNQCLSA-N 449.864 4.549 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722329530 BUBMPPORVLVNLX-UHFFFAOYSA-N 429.355 4.703 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC1Cc2ccccc2C1 1722344853 CTHBBOQFFQCKTF-UHFFFAOYSA-N 441.398 4.644 30 10 IJEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC1=CCCCC1 1722346670 VGNBMDOYPGNQDS-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CC1(CCOC)CCCCC1 1722348525 FEMSGMUKVYXZNU-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](Cc1ccccc1)OC 1722404924 GXQPHRKECRZSKC-DENIHFKCSA-N 448.636 4.849 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1csc(C(C)C)n1 1722407233 HQVPMJYUPHFVGL-UHFFFAOYSA-N 444.004 4.889 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCOC[C@@H]2C)CC1 1722562576 DYPYEYBYMSAOLS-HOTGVXAUSA-N 449.368 4.676 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCN(CC)C2)CC1 1722574291 JPGZTDMTOPWKCR-ICSRJNTNSA-N 444.023 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722589042 JQFDXAKYWVMPNR-WMZHIEFXSA-N 438.616 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1722589929 QUUFTLGSXBHTMW-TZIWHRDSSA-N 428.552 4.746 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1722600393 ODAMZXHVEXHTJY-VWLOTQADSA-N 434.588 4.658 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1722605642 OEKUBNKIKXKGIA-AZUAARDMSA-N 431.625 4.717 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](SCC)C1 1722735549 RAOOEIFRRAKXHF-IBGZPJMESA-N 447.630 4.885 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1c(C)noc1C 1722737374 CYUOQOANBSWXAI-UHFFFAOYSA-N 436.585 4.597 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)CCCS1 1724043923 CJTAZSWGLOUYTI-PWHSHALESA-N 431.650 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC(F)(F)F 1740753074 FHRNRAFLYBUFPZ-RDJZCZTQSA-N 428.886 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)C1 1740756843 RGYHYBSXLLUPFE-BXWFABGCSA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)CCC 1740758440 XQNOCBJMFKOQDO-IMSXRSKXSA-N 448.615 4.984 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCC(C)C 1740763363 KEZPJTCBDIBQRP-ZJSXRUAMSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCCCO1 1740769453 LRTRUALLFUCZBQ-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740779299 ZMZOJPUAQJLLTP-UXHICEINSA-N 444.023 4.960 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCSCC(F)(F)F)CC1 1740829205 ODBUMSKCFIYDJJ-UHFFFAOYSA-N 440.535 4.871 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2ccc(C)cc2)CC1 1740836316 NVTPPOPNEGLGFD-QFQXNSOFSA-N 438.616 4.833 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)c2nccs2)CC1 1740841916 FZKIYGPFWCNSMZ-KRWDZBQOSA-N 439.585 4.528 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCC(C)(C)C)CC1 1740863944 BXXCSLABHAJMKM-UHFFFAOYSA-N 430.666 4.548 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCC1(F)F 1740925997 UKMSTZKCNUIOKS-SFHVURJKSA-N 432.515 4.966 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740933442 SNQUPGHDQVRNEG-INIZCTEOSA-N 425.627 4.738 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)(N(C)C)C1 1743015769 BDVCVMBOETWFPP-IBVKSMDESA-N 434.632 4.954 30 10 IJEE CCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCc1cc(C(F)(F)F)ccn1 1745593919 BFGAEPRSSZLITF-UHFFFAOYSA-N 428.462 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@@H]1C(C)C 1748652184 XMZPTCZQKOIJEV-LRXVAGHRSA-N 426.630 4.795 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1748655102 QVSCDRVBXICVNV-NFBKMPQASA-N 431.584 4.607 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](CC)C1 1748738712 MZZPBSNULDXACO-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccccc1 1748939199 SZEMJZAUGWABRB-NHCUHLMSSA-N 426.630 4.590 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1749292732 VFJQRMAVUOJEPP-ACRUOGEOSA-N 440.588 4.646 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(CC)C(C)C)CC1 1749334679 KFMQZRUYZNFTCJ-UHFFFAOYSA-N 432.012 4.740 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2oc(CC)nc2C)CC1 1749336282 YGXROAMFRXWUKA-UHFFFAOYSA-N 441.963 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1749376217 RIKOOSWUCZXBEP-NRFANRHFSA-N 440.519 4.769 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749411840 HBVJWPQBBJSPMK-DHIUTWEWSA-N 445.615 4.681 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)C1CCCCC1 1749425151 WUFYYJPYHPZSGM-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1749433670 RSHQXDWVPASAJV-UHFFFAOYSA-N 431.625 4.861 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCSCc1ccccc1 1749467602 URLZEQVETHXWFH-UHFFFAOYSA-N 446.418 4.602 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCCCN1CCCCC1 1749473940 SYEQGERHWWNMFU-UHFFFAOYSA-N 446.437 4.986 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1749495058 ZWSQIGYGYUNQHV-UHFFFAOYSA-N 445.583 4.714 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CCCO1)C1CC1 1749511887 OMAVPWBVQWLQHN-FQEVSTJZSA-N 435.341 4.571 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCc2cc(F)ccc2C1)C(C)C 1749558723 XSHMIXVNHGQCLC-XMMPIXPASA-N 437.607 4.946 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cc2ccccc2s1 1749560124 GKEGHLSBAQYCHC-UHFFFAOYSA-N 444.564 4.561 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1Cc1csc2ccccc12 1749578936 JGYIEMIGAOQRTP-UHFFFAOYSA-N 449.605 4.711 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS1 1749586499 XLOZLHKFKPAIIF-OAQYLSRUSA-N 439.654 4.765 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C[C@@H]1C 1752387189 CIQBFRJQXIPDFR-CALCHBBNSA-N 429.515 4.646 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC2(CCC2)C[C@@H]1CC 1760161601 KWIMWVJHOKYAON-PMACEKPBSA-N 441.620 4.923 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(COC)cc1 1760226835 KWTWWMMLFVRRDV-SFHVURJKSA-N 434.609 4.786 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](OC)C2CC2)CC1 1760397814 CVGTYBHQGSALSL-LJQANCHMSA-N 449.368 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(OC(C)C)c1 1760407582 IGQKZQDURYKWKE-UHFFFAOYSA-N 439.604 4.540 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCCC2)C1 1760433374 DSVFTSXJKPCNIG-UHFFFAOYSA-N 437.407 4.885 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2=CCCCC2)C1 1760538513 TXKVGOIDRYXABS-HXUWFJFHSA-N 443.389 4.989 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2cccs2)C1 1760549328 BNPXKFRJBBBBGK-HXUWFJFHSA-N 438.597 4.559 30 10 IJEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)s1 1764563232 DSQHPOJHMHXVAM-MRXNPFEDSA-N 432.553 4.869 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCC2)C1 1766780084 AWEQPMHPCQWFBE-SFTDATJTSA-N 439.629 4.744 30 10 IJEE C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=Nc1cccnc1Cl 1772736651 ZCGISVLSOHJLNX-IFSHFEHQSA-N 445.928 4.551 30 10 IJEE Cc1csc(N=C2S/C(=C3\C(=O)N(C)c4ccccc43)C(=O)N2C2CCCCC2)n1 1772740551 ZBXXEOJEYFDWQA-HZPABLEQSA-N 438.578 4.735 30 10 IJEE Cc1ccccc1OCCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(C)c2n1 1859657180 WHFSMJGYWSNEKY-UHFFFAOYSA-N 425.492 4.625 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCc1ncc(-c2ccccc2)o1 1859741799 AOKUIQRERIAJCN-UHFFFAOYSA-N 434.459 4.518 30 10 IJEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] 1861344858 LMAMCYKYCIFXRT-QHCPKHFHSA-N 435.565 4.759 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2n1C 1861394656 ONVKQTFLZJYTEI-HSZRJFAPSA-N 433.596 4.996 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc(F)c2)cc1 1862390767 LRRQJCGUADXJJQ-QHCPKHFHSA-N 439.527 4.909 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccccc1 1862456456 RYNNXTIYVXXVRR-NRFANRHFSA-N 447.453 4.889 30 10 IJEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c(O)c1 1862557741 OVCCAJBETOUTAV-GCJKJVERSA-N 438.524 4.617 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862678973 TXECOUBXDFMITE-QHCPKHFHSA-N 448.469 4.809 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C2CC2)ccc1O 1862727478 GEUYAZTXSQRGNP-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029638 SBQDRUSLBNEYMM-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc4c3CCCC4)=C(c3cccs3)C2=O)c1 1863113400 PXKGPSIGELKPEF-UHFFFAOYSA-N 425.513 4.895 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(OC)ccc2OC)C(=O)N(C(C)C)C1=O 1863712882 LEWNDKUGDFKRIT-UHFFFAOYSA-N 430.589 4.922 30 10 IJEE CC[C@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccccc1C#N 1866883102 DUOGZIUHJNPQCI-FQEVSTJZSA-N 438.487 4.822 30 10 IJEE CCCCCCCCCCn1cc(OC)c(=O)cc1CN(CCO)Cc1ccccc1 1870553917 OCTFUSGKQWFETI-UHFFFAOYSA-N 428.617 4.992 30 10 IJEE C#CCOc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871007466 DTPNLJHSBXFKTL-UHFFFAOYSA-N 436.515 4.659 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871435193 YUHOJECABBVHAN-LRRLVBENSA-N 449.503 4.914 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871448699 WOGPRNJTHHTTDY-NXUSMQHESA-N 444.443 4.925 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(=O)(=O)CC 1871947383 AEGYEKFMIBURTI-SFHVURJKSA-N 427.353 4.511 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)CCC 1872010432 PAFKGOLKCVRDHD-FQEVSTJZSA-N 440.675 4.662 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccccc1 1872055968 HOILTTZDUFITKU-JOCHJYFZSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCC 1872160494 XLWAUXHFKZWGNI-HSZRJFAPSA-N 449.661 4.792 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872246347 GSPMYPCSBLNIII-LAUBAEHRSA-N 434.989 4.960 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(OCC)cc1 1872512370 SVXKGMJJRVEGAE-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872520846 ZPDACSOSZPDCDO-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)CCCC 1872614066 YSYAXQPVAGYYNH-QFIPXVFZSA-N 442.641 4.713 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 1872775612 VOCZWYSTRKHANG-MPNRVQBSSA-N 436.464 4.634 30 10 IJEE CCOc1cc(/C=N/Nc2cnn(C)c(=O)c2Cl)ccc1OCc1ccccc1Cl 1873526226 UBOVXRPDPUKNSP-BHGWPJFGSA-N 447.322 4.511 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc2n1Cc1ccccc1 1873555372 VRSNDKYYPWKKJE-OYRHEFFESA-N 443.595 4.776 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)Nc2ccc(C)cc2I)c1C 1874184162 SJPJIJZPYUGFBN-UHFFFAOYSA-N 437.325 4.560 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)cc1 1874350491 PALRDFIRPHHKRU-CVKSISIWSA-N 433.512 4.586 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCCO)cc1 1874376620 FXULCYRUDAKLRR-PCLIKHOPSA-N 426.561 4.662 30 10 IJEE Cc1ccsc1/C=N/n1c(Cc2ccccc2F)nnc1SCC(=O)OCC(C)C 1874378946 SRCJTPYFJVJVJU-FOKLQQMPSA-N 446.573 4.551 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2cc(Cl)ccc2O)o1 1874513003 BGCGWCRTVCTELH-LSHDLFTRSA-N 448.932 4.705 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1 1874575744 FGJBZNHLWKDDCT-UKTHLTGXSA-N 435.907 4.940 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cc(Br)ccc1OCCO 1874589087 SGLOEARBBMFNJD-HWKANZROSA-N 425.706 4.687 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1874620552 HGZLLUMKNLTDFV-UKTHLTGXSA-N 443.499 4.934 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC(N)=O 1874626958 FJVAULDLOKEXBF-KPKJPENVSA-N 437.879 4.901 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cnc(C)cn1 1875166431 GVAQORLOJJZKBF-JXMROGBWSA-N 446.503 4.924 30 10 IJEE COc1cc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)C)c(OC)c2)c(OC)cc1Cl 1875172577 CBLGYTZQWSTNED-BQYQJAHWSA-N 448.899 4.832 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c(Cl)c2)c(OC)c1OC 1875194069 FBVIFBARCCSVSY-JXMROGBWSA-N 430.884 4.967 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2cc(Br)cc(F)c2C#N)CC1(C)C 1878906402 UCGXSZPSWPGQAV-GFCCVEGCSA-N 426.330 4.907 30 10 IJEE N#Cc1cncc(C2=CCN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)CC2)c1 1890871351 TZKSHWDAEVRGTR-UHFFFAOYSA-N 436.231 4.664 30 10 IJEE CC1(C)OB(CCCOCc2cc(I)ccc2Cl)OC1(C)C 1904945550 BZCGKULZXOZHGD-UHFFFAOYSA-N 436.526 4.944 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cc(Br)sc1Br 1916315094 XNOMZSGGUXFSPR-UHFFFAOYSA-N 443.986 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)c1cc(F)ccc1Br 1922073280 BZLKSVUMSHIEOK-FGZHOGPDSA-N 436.365 4.937 30 10 IJEE N#Cc1ccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)s1 1951631286 JPYZRSXWRXXMDX-RTWAWAEBSA-N 444.512 4.669 30 10 IJEE N#Cc1ccc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1 1959288073 AAVVDUDVYJQVOY-UHFFFAOYSA-N 431.467 4.970 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2028183086 KXLYVCZJROCJPT-DLBZAZTESA-N 429.786 4.540 30 10 IJEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080080821 ZUVRQAZOYBBDPQ-GOSISDBHSA-N 446.345 4.820 30 10 IJEE CC(=O)Oc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2080105540 MJAXYZQJMWPITF-OAHLLOKOSA-N 442.260 4.706 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNc2cc(Br)c(C#N)cc2F)C1 2115611632 XEZOPWDBGREJDS-MXXVBZNESA-N 430.293 4.515 30 10 IJEE C[C@H](C1CC1)N(Cc1ccccc1)c1ccnc2cc(B3OC(C)(C)C(C)(C)O3)cnc12 2116145075 MLKBQEJMUXDFQY-GOSISDBHSA-N 429.373 4.734 30 10 IJEE Cc1sc(Br)cc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2152111779 SKUSGGFRURXMOC-UHFFFAOYSA-N 440.143 4.510 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2c(Br)sc(C)c2C)CC1 2157323804 QYONRGXEGJCLEC-UHFFFAOYSA-N 440.212 4.921 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1cc(Br)c(C#N)cc1F 2162291722 PJULDRUCAPUVIY-QGZVFWFLSA-N 448.283 4.907 30 10 IJEE C#Cc1ccccc1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2180045228 GGOCOMDJHMRTGA-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE Cc1sc(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1Br 2226122639 DKIYONGABWRWNH-KPZWWZAWSA-N 426.185 4.517 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2235733853 OXQGUPDZJCUXIE-YTQUADARSA-N 435.406 4.862 30 10 IJEE C#Cc1ccc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2243906239 YHPKBJUBBGMQMP-UHFFFAOYSA-N 438.527 4.603 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2244487414 QGHHCLIPTDLHRP-MOPGFXCFSA-N 435.487 4.763 30 10 IJEE C=CCCC1([C@H](N)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266319732 FZVNEPWOJNHWFB-MRXNPFEDSA-N 431.321 4.930 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1cc(Br)cc(OC(F)(F)F)c1 2272999734 WEMCHPOBPPTQDI-KGLIPLIRSA-N 439.272 4.817 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)Cc2ccco2)c1 2282592027 YCEDQDDEXUFKOR-UHFFFAOYSA-N 449.331 4.869 30 10 IJEE CCOCCN1C(=O)C(=Cc2cccn2-c2ccc(O)cc2)SC1=Nc1ccccc1 2294014007 RNMFSXGIINYFAT-UHFFFAOYSA-N 433.533 4.823 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296219111 KZSZBCWYGFJHFD-UXHICEINSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CCCC[C@@H]1NC(=O)OC(C)(C)C 2296288737 KCJIWZIHTSYGJW-DXIQSLLYSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2296300088 CTXJPZLJGLQHRC-PMACEKPBSA-N 435.406 4.958 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C1=O)cn2C 2296588942 AJUUOGVSOGVJGS-UHFFFAOYSA-N 449.503 4.832 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300396389 KFEGEZMBLWPALW-ZEQKJWHPSA-N 426.601 4.612 30 10 IJEE CC[C@H](C)NC(=S)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2318776479 ICFHEOPAWVTNCY-INIZCTEOSA-N 428.989 4.970 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(Cl)c1)C3=O 2322114856 IWQCAYPOEQWSBT-UHFFFAOYSA-N 426.944 4.840 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)c1 2323310104 JYGQPXQFUCTLDC-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c1 2323487001 ZTDDECMKEODFLJ-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)c1 2323511266 IDJUXMNISJHKPP-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCC(CO)CC1 2324173380 ACFZZFRNXDBVRZ-UHFFFAOYSA-N 434.319 4.520 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)N(CC)CC 2324197189 ODMHXLTVFCDMGF-UHFFFAOYSA-N 425.500 4.706 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4OC)ccc3C2=O)cc1 2325265410 YSRKUAILQVQMJO-UHFFFAOYSA-N 443.499 4.569 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC(=O)C3CC3)c(OC)cc2Br)c1 2325707109 GCJHBSBUKFGCBA-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccco2)cc1 2328355887 HDGZNRIGEFPRKL-UHFFFAOYSA-N 434.521 4.942 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccccn2)cc1 2330246181 MFXDTXUJYHVAEO-UHFFFAOYSA-N 448.596 4.717 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)c1 2330531300 UUEHPDITSPQWHM-UHFFFAOYSA-N 449.561 4.628 30 10 IJEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331092985 NDYPOSKUVMMZCS-UHFFFAOYSA-N 429.400 4.979 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(OCC)cc1 2331403990 XZSFQMGPTBFLHV-UHFFFAOYSA-N 445.633 4.597 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Br)c1OC(C)=O 2331667927 REVODQITNWXLFK-UHFFFAOYSA-N 433.298 4.905 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3C)nnc2C2CC2)cc(OC)c1OC 2331726298 RXQKVQIUMIYMQG-UHFFFAOYSA-N 438.553 4.664 30 10 IJEE C#CCCCC[C@H](OCCC(=O)O)c1sc(Cl)cc1I 2366702703 UUQGZVKBOQAWPB-NSHDSACASA-N 426.703 4.732 30 10 IJEE Cc1cc(CN[C@@H]2CN(Cc3ccccc3)CC(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369635390 WRVFBGHAOLYQGB-DEOSSOPVSA-N 448.460 4.685 30 10 IJEE Cc1cc(CN2CCCC[C@H](N(C)Cc3ccccc3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369733935 RQZSHGHAVDZQEW-SANMLTNESA-N 448.460 4.781 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2cccc(Cl)c2)NCCc2ccc(F)cc2)n1 14156060 ZYYWAXWCFZYRGD-UHFFFAOYSA-N 440.910 4.718 30 10 IJEE Cc1nnc(N2C(=O)C(O)=C(C(=O)/C=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)s1 35421015 QWEOCIHEKPOVNG-DIBVOSKASA-N 437.908 4.682 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 63402338 IGTGUJRSZNWOBD-MRXNPFEDSA-N 437.475 4.687 30 10 IJEE C=C(C)CN/C(S)=C(/C(=O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1cc(O)ccc1C 63858128 YTOSZHBXTXGJQA-UHFFFAOYSA-O 429.565 4.664 30 10 IJEE N#Cc1cc(COc2c(Br)cc(Br)cc2Br)ccn1 68768133 JVMMCIQUKSVJSL-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(F)cc1 100263820 XZBOGSFLDBKHMZ-VKWHMPGMSA-N 426.300 4.723 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2O)cc1 169923853 PEPDRKFIKVUMHX-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(O)c2)c1 170079043 ZSPQMNWDBSZEAE-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)c1 170131206 HITONBCINMCADM-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1C 170174041 QAAPZEOVCXNYRQ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(CC)cc2)cc1C 170264946 YTAGMPCBVFOQDV-QHCPKHFHSA-N 437.536 4.571 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2C)c(OC)c1 170270794 YBZXDKSJFBMLED-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1OC 170285576 IPSBQYVMPKLKHR-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1 170421486 FOCIFSMXTGSNTI-NRFANRHFSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 170422828 MXBCBQAIWPFZMB-LJQANCHMSA-N 440.286 4.562 30 10 IJEE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=Nc2ccc(N3CCOCC3)cc2)c1C 254287967 PIWGUKQBYUBQIV-UHFFFAOYSA-N 434.496 4.598 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN[C@@H]1CCCCC[C@@H]1/N=C(/O)OC(C)(C)C 328580908 LOTBWIIALKJXAQ-QRVBRYPASA-N 425.614 4.796 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1ccc(COC)o1 460387657 PPRDEKTUBWIDAO-FQEVSTJZSA-N 438.528 4.619 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460781072 DSFKPAIDUHYFOH-YKSBVNFPSA-N 448.567 4.895 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c2cc(C)oc12)c1nc(C(=O)OCC)cs1 468116434 YCPOALYMVCVWLC-UHFFFAOYSA-N 449.326 4.970 30 10 IJEE Cc1nc2cc(C(=O)Nc3nc4c(cc3C#N)CCCC4)ccc2n1Cc1ccsc1 472560723 NVEXNQAFQTYXKN-UHFFFAOYSA-N 427.533 4.852 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@@H](COCC)C1 508700706 TYHZWMXHUWYMGN-HXUWFJFHSA-N 436.531 4.712 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)c1 526491865 YFYQSRGYDVQEOC-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccc2OC)cc1OC 526605875 FTYSRKIOSOANJL-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CC(=O)Oc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526606919 KREVFEWZXVTESH-QHCPKHFHSA-N 428.419 4.680 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(N(C)c2ccccc2)CC1 549633828 BLPNLGVVKDFCHZ-UHFFFAOYSA-N 432.528 4.535 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N4CCC(C)(C#N)CC4)n3C[C@@H]3CCCCO3)cc2C1 550030599 AKIFMYOBFRIQDO-MJGOQNOKSA-N 439.629 4.831 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@@H](CCOC)C1 564494919 HPPPBLIMVPMYEG-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE O=C(N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1ccc2cc[nH]c2c1 585853990 UNCYBKKWMWWRCS-MRFXHLROSA-N 442.346 4.608 30 10 IJEE CCOc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(N3CCC(C)CC3)cc2)cc1 586254814 UCPJURCXTBUDAI-UHFFFAOYSA-N 441.597 4.821 30 10 IJEE N#CCCCOc1cccc(NC(=O)c2cc(O)nc3ccc(Br)cc23)c1 609968516 MNOPDHUCTXLQCN-UHFFFAOYSA-N 426.270 4.638 30 10 IJEE C[C@@]1(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCCN1C(=O)c1ccccc1 739594844 RTLBBODQJXCGFR-VWLOTQADSA-N 429.545 4.598 30 10 IJEE COc1ccccc1N=C1SCCN1C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741171964 DQBPURUVFVUMDI-GJZGRUSLSA-N 436.455 4.960 30 10 IJEE C=CCOc1ccccc1CN(Cc1csc(CC(=O)NC)n1)c1ccc(C)c(C)c1 749146682 LCHNHOLCFOURLL-UHFFFAOYSA-N 435.593 4.820 30 10 IJEE COc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2)cc1Cl 762440097 QDXFMCVRBIGJGV-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE CC(C)(C(=O)N1CCc2ccc(C#N)cc21)[C@H](O)c1ccc(OCc2ccccc2)cc1 778939705 YEDFKAYFQIDWHL-RUZDIDTESA-N 426.516 4.786 30 10 IJEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc2sc3ccccc3c2s1 787057050 SOFYYUXQSFTZFZ-HNNXBMFYSA-N 435.486 4.663 30 10 IJEE CC1(C(=O)OCc2cncc(C(F)(F)F)c2)CCN(c2ccc(Cl)cc2C#N)CC1 805999410 ORIXMOUFLUXMKJ-UHFFFAOYSA-N 437.849 4.975 30 10 IJEE C=CCc1ccc(OCC(=O)NC2(c3cccc(Br)c3)CCC2)c(OC)c1 1125370497 FUUQMDYLTRJBES-UHFFFAOYSA-N 430.342 4.761 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 1125941330 GXRPZYPQRSILOB-UHFFFAOYSA-N 447.966 4.995 30 10 IJEE O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cc(-n2ccnn2)ccc1F 1128122212 BJSKDTXHJFGZJI-MRXNPFEDSA-N 446.326 4.849 30 10 IJEE CC(C)(CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Oc1cc(F)cc(F)c1 1128799874 GOHKAACBPWNERC-UHFFFAOYSA-N 426.419 4.596 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](C)Cc2ccc(OCC)cc2)CCCN1C(=O)OC(C)(C)C 1129625415 AZGKUHWBIOPJIY-UQBPGWFLSA-N 430.589 4.726 30 10 IJEE C=CCCOCCCCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 1129665891 PPVNXCOXVUZTPV-FCHUYYIVSA-N 448.579 4.798 30 10 IJEE C#C[C@H](NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(C)(C)C 1129738865 MZYXUDYSEBECPN-SFHVURJKSA-N 427.570 4.859 30 10 IJEE C=CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C(=O)OCC 1154004149 ICAOODMQJBZTBX-INIZCTEOSA-N 434.901 4.637 30 10 IJEE COc1cc(-c2nnc(S[C@H](C#N)C3CC3)n2C2CCCCC2)cc(OC)c1OC 1164443973 IDTNOHFQRWEUEM-LJQANCHMSA-N 428.558 4.870 30 10 IJEE C[C@H](NCC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1169175310 DODPYQLIZMGNTR-SFHVURJKSA-N 438.531 4.640 30 10 IJEE COc1cc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)ccc1OC1CCCC1 1185476211 COXNZCNKGLIGKV-CQSZACIVSA-N 434.945 4.581 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCN2c3ccccc3C[C@H]2C1 1206202727 HJMFHFSPGMTBLY-SFHVURJKSA-N 442.357 4.683 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(F)cc1 1208375441 HIQDKFHLWWOTHB-KRWDZBQOSA-N 425.323 4.526 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1 1217732075 YVEZZBZAISCGDY-UHFFFAOYSA-N 429.524 4.928 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(Br)cc(Br)c1 1219594412 CRUANXWHOOAKJB-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1251830600 IPGOOWBCHMOBNR-SFTDATJTSA-N 429.605 4.899 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCSCC(C)C 1286401725 UOWSUULIZFHDPS-UHFFFAOYSA-N 449.649 4.839 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOCC 1286534476 USFQRXNFXJVJQK-CYBMUJFWSA-N 439.423 4.513 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN(CC)CC)C1 1286621409 HPPQVWCGORJFSL-HNNXBMFYSA-N 426.367 4.658 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nc(C(C)(C)C)cs2)CC1 1286648815 VVLJBRNZAFONHY-UHFFFAOYSA-N 425.577 4.967 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1286664898 LFZWTOXVMYBKSH-XUZZJYLKSA-N 438.616 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@](C)(OC)CC1 1286667484 JXCINHGZRXHLPE-VWLOTQADSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286686440 HNGMWYAUYBCXPF-SFTDATJTSA-N 432.515 4.732 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C)CC1 1286687564 QGHJBRZXMGBAEB-FQEVSTJZSA-N 429.609 4.905 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1286708021 MKTTYTXTJZSPEN-ROUUACIJSA-N 431.378 4.535 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCc1nccs1 1286719845 RRLNJGVWNGUAOK-UHFFFAOYSA-N 432.391 4.728 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1ccnc(SC)c1 1286753313 ATPFFTMVGYEUHS-UHFFFAOYSA-N 428.565 4.837 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1Br 1299868739 OWDFDZDQPOXZCR-INIZCTEOSA-N 445.785 4.968 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C(C)(C)C)no1 1300275663 YDQCRURRBASZCB-CVEARBPZSA-N 441.963 4.863 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cccc(C)n1 1300321496 NGOUDPVSOWNHIZ-MRXNPFEDSA-N 444.366 4.568 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOC)CCCCC1 1300441724 XKZYUYJLBOWABA-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1cccs1 1300746632 UODZTSAKLWOPNC-INIZCTEOSA-N 430.002 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCCOc1ccccc1 1300877036 UGRBOIRTJCMQHU-REWPJTCUSA-N 436.556 4.733 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccs1 1300901380 NVFZJLUTBVGVLQ-QHCPKHFHSA-N 432.634 4.760 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301054930 BTZWYYNUYKXAOR-KRWDZBQOSA-N 444.992 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1nccs1 1301140040 ZDQPHLKNNVOZBJ-UHFFFAOYSA-N 449.422 4.773 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCCCC2)C1 1301245800 MEUIESAIKLNGCK-UHFFFAOYSA-N 437.613 4.666 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(C)OCCc2sccc21 1301310081 WIRSQSSUTKFSRB-DEOSSOPVSA-N 438.597 4.646 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F)C1CC1 1301330032 RWWYDBNUTKXOCQ-JOCHJYFZSA-N 434.506 4.616 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H](c1ccco1)N(C)C 1301339526 PCHLBXCNQRTRBB-QFIPXVFZSA-N 430.556 4.506 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCS1 1301340126 VONQXXICQMVAQP-YADHBBJMSA-N 437.613 4.870 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCN1CCCCCC1 1301350894 CORGGVOGYCYSFP-HSZRJFAPSA-N 441.595 4.727 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)c1ccsc1 1301381090 SCTVEFFJJKNVAR-XMMPIXPASA-N 433.581 4.584 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1301444607 UIFXJCHWJVCFFH-MSOLQXFVSA-N 449.368 4.817 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(F)(F)F)C1 1302978414 CBVOTIUPCVMVHH-SFHVURJKSA-N 439.413 4.817 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)c2ccccn2)c1 1304166686 FDXUCRDKVVWYRL-HXUWFJFHSA-N 432.572 4.585 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2ccc(Br)cc2C#N)CC1 1307437875 GLGJSCOILHZASP-HXUWFJFHSA-N 448.405 4.932 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc(C)c1C(=O)OC)c1ccc(C(F)(F)F)cc1 1309335806 VWLXMLPODWYRRG-KRWDZBQOSA-N 441.471 4.786 30 10 IJEE C#CCN(C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)C1CSC1 1310109359 ADIUUSKGAJZYFI-UHFFFAOYSA-N 433.455 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C 1312615696 IBFDHYRBLPQVIO-FTVAOMEISA-N 428.573 4.733 30 10 IJEE CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)NCC1(C#N)CCOCC1 1313406252 HMSOGNZFHYXRLQ-UHFFFAOYSA-N 435.446 4.817 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1313769607 HLLNFAVOCTUNGX-WOJBJXKFSA-N 437.588 4.560 30 10 IJEE CCc1cccc(Oc2ccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cn2)c1 1350681723 HFCVWDTUCJDIFM-LJQANCHMSA-N 430.483 4.912 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)CCCOc1ccc(I)cc1 1352043694 OCGOCFQAOBUPPE-UHFFFAOYSA-N 449.332 4.708 30 10 IJEE C=CCCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)nn1 1355014822 DUIZOFDYRVMZLU-UHFFFAOYSA-N 446.389 4.777 30 10 IJEE C#CC[C@@]1(C(=O)NCc2cccc(Oc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1355079730 ZRWYSAZXVINLKJ-SANMLTNESA-N 434.536 4.888 30 10 IJEE CCN(CC)CCN(C(=O)CSc1ccc(C#N)cc1)c1cccc(Br)c1 1358456657 HXLTYIWZKBKVHK-UHFFFAOYSA-N 446.414 4.788 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1358486564 RQSQILUDRKDASU-UHFFFAOYSA-N 439.556 4.660 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C(F)(F)F 1358989308 XFSZZRAYUUYBLE-UHFFFAOYSA-N 443.860 4.524 30 10 IJEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1359059547 QUBSWUSPCPHPSD-SFHVURJKSA-N 429.659 4.561 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1N(C)CCCC1(C)C 1359066046 LUWGVYDOTMJXED-GBXCKJPGSA-N 426.008 4.711 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCS[C@@H](C(C)C)C1 1359126836 AOLMAANOYNXXEA-FCHUYYIVSA-N 428.646 4.991 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1359144987 BDZRIEFREOVECJ-QGZVFWFLSA-N 428.886 4.808 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cccs2)CC1 1359155631 FKIGUJSFTHOLQH-UHFFFAOYSA-N 444.004 4.615 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](N2CCCC2=O)C1)c1ccccc1 1359193357 CNHNQTVYZOEOEI-WWNPGLIZSA-N 435.616 4.743 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1359222547 LEJMOJFAULDCFR-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ccc(C)s1 1359244076 PUCORVUNYNZSHI-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@H]1CCCCO1)C1CC1 1359247761 OIWGHXKCFYDXSH-QGZVFWFLSA-N 434.382 4.540 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359340668 VFOKCQDGARJKPM-QHCPKHFHSA-N 430.618 4.514 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C#N)cc3)c2C(=O)OC(C)(C)C)C1 1436200845 DXSISVRWOLJGIF-CQSZACIVSA-N 426.538 4.717 30 10 IJEE CC(=O)N[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2)c1ccc(F)cc1F 1436522129 BQJZAAFRPDNGKL-VLIAUNLRSA-N 445.535 4.865 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(Cc2ccc(OC)cc2)CC(F)(F)F)cc1OC 1437529898 FAMGPNXPRQUPNE-XYOKQWHBSA-N 435.442 4.873 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(I)c(C)cc3C)cc21 1439757628 QIHNMRXFXOOPLW-UHFFFAOYSA-N 431.277 4.696 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3ccc(F)cc3F)C(C)(C)C)n[nH]2)c1C 1446147986 VQLCENQNHCYDRQ-OAQYLSRUSA-N 427.499 4.871 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)c(Br)c(F)c1 1451406830 XQVZUHMHJCZBMY-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1456894701 KGIILUAJGBZJJZ-DJUQAAIZSA-N 428.554 4.666 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccccc2COCc2ccccc2)n1 1458839974 GRGROEAEKLHIHK-UHFFFAOYSA-N 426.451 4.852 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](COC)c2ccc(Cl)cc2)s1 1459645884 CJUXMPSKQHUHLB-OAHLLOKOSA-N 431.410 4.996 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 1465778839 NBRNANZLLHQPRD-UHFFFAOYSA-N 433.693 4.705 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Br)c(Cl)c1F 1467524639 JNKNXZCJEWLFQO-UHFFFAOYSA-N 431.689 4.937 30 10 IJEE C#CC[C@H]1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1470368431 LUGGKIRIGFKXIO-LPHOPBHVSA-N 427.545 4.691 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1F 1470666026 UZDOTOWMGUCYHU-IBGZPJMESA-N 439.840 4.704 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F 1470787963 VLVGEEDUAZVJHW-NEWSRXKRSA-N 432.914 4.952 30 10 IJEE C=CCn1c(SCC(=O)N(CC(C)C)C2CC2)nc2sc3c(c2c1=O)CCCCC3 1472909556 HRHNMFWOGWRWOA-UHFFFAOYSA-N 445.654 4.652 30 10 IJEE C=CCn1c(S[C@@H](C(N)=O)C(C)C)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1472916129 IRSIRTQWNZJBPO-CRAIPNDOSA-N 432.659 4.946 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)c1 1473137995 FOHPUGXZGDNBLN-HNNXBMFYSA-N 429.442 4.560 30 10 IJEE Cc1c(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)sc2ccc(C#N)cc12 1474855910 GBNPSQHMETYHOD-UHFFFAOYSA-N 449.557 4.534 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(Br)c1 1475418280 DLEMJUZCRNWYIE-GFCCVEGCSA-N 447.276 4.571 30 10 IJEE N#Cc1cc(NC(=O)NCC[C@@H](O)C(F)(F)F)ccc1Oc1ccc(C(F)(F)F)cc1 1476217301 GTGJISSNUFGWIS-MRXNPFEDSA-N 447.335 4.804 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 1479049273 GUODHEKDHZTBIM-RTBURBONSA-N 425.342 4.634 30 10 IJEE CCC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1497790421 GKSSQPFSGGCGEL-QFIPXVFZSA-N 427.980 4.935 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](COC)C1 1507557533 LRAWEYLRCYTJDU-IBGZPJMESA-N 426.630 4.942 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC[C@H]1CC 1507611878 SJYSJIBKKCELEH-NVXWUHKLSA-N 431.378 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1C[C@H](C)O[C@@H](C)C1 1507659712 DBATYSZILQYVCH-FUDKSRODSA-N 448.611 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(NC(C)=O)nc1 1507813170 VJDNNHGEXWPZCB-QFIPXVFZSA-N 432.572 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1csc(C(C)(C)C)n1 1507821891 MIDGDRDDDBJXAF-UHFFFAOYSA-N 441.649 4.539 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(CCOC)Cc1ccc(C)o1 1507828102 SOLMVAZYCLJUSW-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCSC1 1507929755 UYWUXUCBXZCRCF-GOSISDBHSA-N 428.602 4.652 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CC(F)(F)F 1508007816 IMZGLDLMIKETKG-UHFFFAOYSA-N 428.430 4.964 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1CC(C)(C)C(F)(F)F 1508033137 LBVLBVINIZOHAO-UHFFFAOYSA-N 433.478 4.681 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1[C@@H]1C[C@H]1C(C)C 1508038893 XDHFQJUQLHDYEH-MAUKXSAKSA-N 437.357 4.703 30 10 IJEE CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1509044556 ANKFBAJCUBQFBT-QHCPKHFHSA-N 434.632 4.810 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1)c1ccc(C(F)(F)F)cc1 1520114365 TURQXAKPYQOOJL-HKUYNNGSSA-N 446.469 4.891 30 10 IJEE C=CCc1cc(CNC(=O)c2csc(Cc3ccccc3F)n2)cc(OC)c1OC 1527042209 BUBMQDAKQQJRAS-UHFFFAOYSA-N 426.513 4.549 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3)cc2C1=O 1527979283 ASNFEXMYFPDMHV-QHCPKHFHSA-N 444.918 4.836 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)Nc3nsc(Cc4ccc(F)cc4)n3)c2)c1 1529412981 BEZKTIPTVODJHR-UHFFFAOYSA-N 444.491 4.971 30 10 IJEE C#CCN(C(=O)c1ccc2nccc(C)c2c1)[C@@H]1CCOc2ccc(Br)cc21 1531553389 KYEUYPBQWCPKCM-OAQYLSRUSA-N 435.321 4.905 30 10 IJEE C=CCn1c(SCC(=O)N(CC(F)F)C2CCC2)nnc1-c1ccc(Cl)cc1 1538112799 MIEJYUTYNBMZGL-UHFFFAOYSA-N 426.920 4.523 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1539024531 WCHXXEXGFAOWTN-NFBKMPQASA-N 433.625 4.534 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3c(s2)C[C@H](C(C)C)CC3)CCCN1C(=O)OC(C)(C)C 1539105800 GAJVMINCQCKLTG-MWTRTKDXSA-N 431.602 4.636 30 10 IJEE C#CCN(CC#CC)C(=O)c1cc(-c2ccc(C)cc2)nc2nc(N3CCCCC3)sc12 1539266750 KYSQMGOPGRSSGL-UHFFFAOYSA-N 442.588 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCSC1 1539352395 XTRNAGYGDVHXKM-LJQANCHMSA-N 436.581 4.720 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C1CCC1 1539496658 BTQULFLWFNBQRG-LJQANCHMSA-N 445.430 4.843 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C2CCC1(C)CC2 1539607355 DBFPVNZYGUTIEN-UHFFFAOYSA-N 431.378 4.904 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1539811775 IGCDHCORKGGYOG-SFHVURJKSA-N 435.380 4.914 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1539903378 YCUXZWIOSQTWAN-HSZRJFAPSA-N 449.643 4.917 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)c1ccccc1 1539932276 ZYOUKEXJGSHAQQ-FCEUIQTBSA-N 435.616 4.649 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1539939504 HLEPORGBNQBTPJ-WOJBJXKFSA-N 437.975 4.827 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC=CCC1 1539944320 ANJPPGPTFIAPHO-FQEVSTJZSA-N 446.599 4.731 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(F)c(F)c1 1540178085 WWXANHLPUPYZNP-WIYYLYMNSA-N 446.542 4.732 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1540179830 BELBPBZVSQKQRR-BJKOFHAPSA-N 431.584 4.636 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 1540351874 POAYTZYVJUVEJR-OAQYLSRUSA-N 428.960 4.971 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccc(OC)cc2OC)cc1 1540575570 BJKWFAQHIOAXPA-UHFFFAOYSA-N 431.492 4.616 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 1540674611 ZVTAELPPNKCRIG-XMMPIXPASA-N 439.519 4.940 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(SCC)c2)C1 1540895584 VOOZKSGRRBLXCH-NRFANRHFSA-N 426.630 4.952 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)CC[C@@H]1C 1540910019 VETYLIIIVNYXFP-GJZGRUSLSA-N 438.439 4.590 30 10 IJEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1555450179 HOUMXOWPLCSLNL-SXLOBPIMSA-N 447.505 4.973 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2)C(=O)OC 1556970807 IWOYERIFXZNPPR-BZNBOCDVSA-N 442.490 4.546 30 10 IJEE Cn1cc([C@H]2N(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2(C)C)cn1 1562232815 BRSQVQHDBYRLFJ-HSZRJFAPSA-N 429.524 4.680 30 10 IJEE Cc1cc(NC(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)c(C#N)cc1N(C)C 1562904639 DELJKOLMZKQYTL-UHFFFAOYSA-N 432.446 4.538 30 10 IJEE CN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 1564945916 IAZUVCBLHBPJGO-HKBOAZHASA-N 430.335 4.542 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1F 1564999623 IVEBPXFFAPGUEY-LHSJRXKWSA-N 435.877 4.520 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 1566221353 YLMYOAXMYQXXLN-MAUKXSAKSA-N 426.479 4.622 30 10 IJEE C#C[C@H](NC(=O)CCc1cc(Br)ccc1F)c1ccc(Br)cc1 1583565494 IEOJGJLZFJTLPO-KRWDZBQOSA-N 439.122 4.774 30 10 IJEE C=C(C)[C@H](NC(=O)c1nn(CCCCC)c(=O)c2ccccc12)c1ccc(F)c(F)c1 1585436973 ZNNAOPQLGDKWTI-NRFANRHFSA-N 425.479 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](CCC)OC 1587585612 CMKWWLLMBKQROW-ZFWWWQNUSA-N 439.785 4.634 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(Cc1ccccc1)CC1CCOCC1 1587759637 XQLWLNSGUWHFOA-XMMPIXPASA-N 436.600 4.756 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1587773484 LGOOIZGLALIHHI-RDPSFJRHSA-N 429.568 4.664 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 1587811636 QLWYZBBZCMBGEB-UHFFFAOYSA-N 441.453 4.771 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)C[C@H]1C 1587944701 RWSFDZMGXJTIDT-MJGOQNOKSA-N 432.486 4.768 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1cccnc1)C(C)C 1588166856 RKTKKCFFGGOWEX-DEOSSOPVSA-N 443.620 4.786 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1csc(C)c1 1588181472 UYPMLSNMKXLEHT-OAQYLSRUSA-N 432.593 4.916 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1589116041 BXKNJYWYABERSL-NRFANRHFSA-N 438.641 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1Cc1ccc(C)cc1OCC(F)(F)F 1589206815 AGGRDWXKLDSZQN-JOCHJYFZSA-N 432.490 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1csc(-c2ccco2)n1 1589675474 DHJCJYLLRCZTSM-UHFFFAOYSA-N 440.598 4.801 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1594504243 LILUAODWRRGRNA-QFIPXVFZSA-N 437.632 4.665 30 10 IJEE C=CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@](F)(C#N)C1 1594582936 WNNZKTHZNJNKOD-XMMPIXPASA-N 435.503 4.915 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1594650928 DDHTXIJSVMOJFU-CRAIPNDOSA-N 442.457 4.509 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCOc1ncccc1F 1595100836 VDQBKPXXFWFUCZ-UHFFFAOYSA-N 448.546 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(OC)c(OC)c1 1595149073 JSGPXRFOMZRDDP-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1csc(CC)n1 1595185119 OHKBSOYPGVJCCS-UHFFFAOYSA-N 444.402 4.953 30 10 IJEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1 1607931575 BOCPYFXOPWQJLG-UHFFFAOYSA-N 444.539 4.550 30 10 IJEE COC(=O)C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 1616866427 CPEJDWUKBPZEKU-HNNXBMFYSA-N 437.311 4.898 30 10 IJEE C=C[C@H](C(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O)c1ccccc1 1623570281 MWRNTLJSNIUGKM-PMACEKPBSA-N 441.369 4.647 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)c(F)cc1N 1629600995 MYMCSXISPUXDDT-UHFFFAOYSA-N 444.098 4.750 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 1630656480 MJDYMNUECQSKFD-UHFFFAOYSA-N 449.498 4.560 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Cc2ccccc2)ccc1O 1633103045 CERJXGCVZOPTNP-UHFFFAOYSA-N 425.488 4.986 30 10 IJEE C=CCCCCNC(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1634469339 GQNUBIDTJZEESF-NTCAYCPXSA-N 442.368 4.685 30 10 IJEE C=C[C@H](C)ONC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1636606956 NPBHTXOODDUZHK-SCLBCKFNSA-N 440.396 4.960 30 10 IJEE C=CC1(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C2CC2)CN(C(=O)OC(C)(C)C)C1 1637064252 IYWBSZABWNMHEP-GOSISDBHSA-N 428.573 4.636 30 10 IJEE COc1ccccc1-n1c(Sc2snc(Cl)c2C#N)nc2ccccc2c1=O 1641948950 CWHMBFSNXOWNSW-UHFFFAOYSA-N 426.910 4.527 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)sc2C)nc2sc3c(c2c1=O)CCCC3 1643476887 RYPJERUXIQAATC-UHFFFAOYSA-N 446.619 4.972 30 10 IJEE C=CC1(CC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CN(C(=O)OC(C)(C)C)C1 1643489306 ZLIHWMXETDUNIC-UHFFFAOYSA-N 434.949 4.610 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccccc2)[C@@H](CO)C(C)C)n(C2CCCC2)c1C 1644719994 FMEPCVADKCDNID-DEOSSOPVSA-N 436.600 4.549 30 10 IJEE C#CC[C@@]1(C(=O)NCc2sc(-c3ccccc3)nc2C)CCCN1C(=O)OC(C)(C)C 1649370160 KRBCDZBOVANIQC-DEOSSOPVSA-N 439.581 4.528 30 10 IJEE C=C1CCC(CNC(=O)Nc2cc(I)ccc2Br)CC1 1649399690 LUFDELMFXLJTNT-UHFFFAOYSA-N 449.130 4.922 30 10 IJEE C=CCN1CC[C@@H](Sc2nnc(-c3ccccc3F)n2-c2ccc(Cl)cc2)C1=O 1652741492 KXMWCAGUVPESRX-GOSISDBHSA-N 428.920 4.606 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)C1(CO)CCCC1 1653814613 DSSZWRYQSQONKB-YADARESESA-N 437.609 4.903 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CC(Cc4cccc(OC(F)(F)F)c4)C3)c2c1 1655235812 HWLZNLDEHIWYKP-UHFFFAOYSA-N 443.425 4.701 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(Br)cc1 1655458748 GHQOCMPZBBIHGO-GOSISDBHSA-N 436.371 4.542 30 10 IJEE C#CCCOc1ccc(CN[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1657645511 WHJMGDYXMHBZTN-UPVQGACJSA-N 428.935 4.721 30 10 IJEE Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2cc(Br)ccc2C#N)c1 1660363906 FTFKXGYPBQGJOF-IBGZPJMESA-N 433.371 4.935 30 10 IJEE C#CCN(C(=O)Nc1csnc1-c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1662734654 MAVBWZKTLKUVGJ-UHFFFAOYSA-N 440.569 4.677 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1 1665243526 UWXVTJRTVATAAJ-AUSIDOKSSA-N 441.597 4.936 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 1666454380 DTAGNPKMGMCOMD-DEOSSOPVSA-N 448.929 4.972 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCc2c(Br)ccc(Cl)c2C1 1668996102 CYZSHQRUBQEVNH-UHFFFAOYSA-N 437.696 4.844 30 10 IJEE COc1ccc(N(CCC(C)C)S(=O)(=O)c2cc(Br)ccc2C#N)cc1 1669046233 DQBXSLNLVZQQOV-UHFFFAOYSA-N 437.359 4.571 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Br)cc1C)c1ccc(Br)cc1 1669099369 WTUAQTDWLVBZCZ-QGZVFWFLSA-N 436.147 4.694 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)Nc1ccccc1O[C@H](C)C#N 1670147468 GGMNPNNXXSIVAA-ZWKOTPCHSA-N 442.560 4.621 30 10 IJEE C=CC(C)(C)CCCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1671317554 YHDURLFMPLZUTO-UHFFFAOYSA-N 429.405 4.843 30 10 IJEE CC1(C)CC(=O)c2cccc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2O1 1672249360 FWMJNCAOBXNVOM-UHFFFAOYSA-N 437.471 4.516 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CC[C@H]4CCN(C(=O)OC(C)(C)C)[C@H]3C4)cc2n1 1673220313 FMSOUCSWHNKQBN-SCWSEQNSSA-N 439.560 4.522 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 1678765127 DZUSXUUCSCMFPX-UHFFFAOYSA-N 425.504 4.560 30 10 IJEE Cc1cccc(C(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2cccc(C)c2)c1 1679875310 HUKQPMLPYHJNTQ-UHFFFAOYSA-N 442.538 4.935 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1ccc(C(F)(F)F)cc1 1680633031 JGLFHOQHAUGZBU-LDBRAYGESA-N 426.479 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)Cc1cccs1 1689833202 FQIPNZVJWJHMBT-HOTGVXAUSA-N 430.524 4.945 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCCC(F)(F)C1 1690071334 RXSKZXVKZZUTDL-LJQANCHMSA-N 438.526 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)C[C@@H]1CC 1690239095 REXIRDALFIILRG-RRIFGTCXSA-N 448.409 4.642 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1690295892 WOWKDCYERUTAGE-NRFANRHFSA-N 441.595 4.665 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)C1 1690334074 CXQWMMVKJALVSA-UHFFFAOYSA-N 446.176 4.729 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(SCC)c2)CC1 1690394850 OJTUNUOFWPGPSX-UHFFFAOYSA-N 441.645 4.759 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690435012 OCLXZZGOBWBDGK-HKUYNNGSSA-N 436.522 4.936 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1690447213 MAVBBNBIOARYSY-KAOXLYBCSA-N 438.616 4.782 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1690485231 NVLNDKMVUVVSHL-UHFFFAOYSA-N 441.620 4.567 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cn2ccsc2n1 1690521493 ZSIBXTRPSPQDGD-UHFFFAOYSA-N 436.585 4.750 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(CC(C)C)C1 1690563415 QKPQKSGXUWEOCF-XMMPIXPASA-N 446.643 4.844 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@H]1C 1690572175 VPMVGVAXRZNLFT-URLVKDPJSA-N 442.579 4.770 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H](F)C1)C(C)C 1690580539 AQUHABMJFVUTQA-PUHATCMVSA-N 425.596 4.746 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1690585350 ICJIGSINOCXORI-KHCICDEESA-N 442.991 4.881 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1690697268 RSLRDLWNAQXVCY-OALUTQOASA-N 438.469 4.948 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1690738356 KPIAPVYQTYDTFM-JOCHJYFZSA-N 435.597 5.000 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(Br)c1 1690740006 FYVYOIDAQAKXBO-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705511696 CPZSBIHGOOPDDB-QGZVFWFLSA-N 448.398 4.550 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OCC 1705604603 PJXGRPMTCXXJMN-GOSISDBHSA-N 432.996 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCO1 1705677091 AWUNQNLIYGFMEC-ATIYNZHBSA-N 436.600 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=C)Br 1705713733 RBRKIOIQDDXURB-UHFFFAOYSA-N 435.366 4.663 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1705785888 AMBPVQNWGNBLLQ-PMACEKPBSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1ccc(O)cc1 1705795787 QXHKIINWKGXPQE-BVSLBCMMSA-N 440.588 4.652 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705807480 FCSOFQJAEZEBHV-UHFFFAOYSA-N 448.468 4.600 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1705887475 JTXFGLHUROUAJX-UHFFFAOYSA-N 436.629 4.516 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1722328329 SVMLZBZCSCSAML-CTNGQTDRSA-N 442.007 4.550 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCc1cccc(C)n1 1722356556 YEMGDESLQDQSBU-UHFFFAOYSA-N 444.366 4.570 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C(C)(C)O)cc1 1722405563 ORJHSDDESGEHJS-GOSISDBHSA-N 448.636 4.867 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1ccc(C)o1 1722450721 CAFCRGFKGHMKOZ-HXUWFJFHSA-N 438.597 4.939 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1722454727 DDDVZSSYEKVQDU-NVXWUHKLSA-N 447.446 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCSCC 1722516510 ACQKOJZRKRRKIJ-SFHVURJKSA-N 437.654 4.896 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@@H](SC)C1)c1ccccc1 1722539056 FEPWRSWEBDYJPU-OAQYLSRUSA-N 441.645 4.632 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](C)C1 1722614949 WHLGPJDTFXWZOO-LJQANCHMSA-N 434.588 4.658 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1722622379 JCYXXLGKULEUCC-UHFFFAOYSA-N 449.628 4.716 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C#N)CC1 1722623133 YDDRQTIQASWELA-UHFFFAOYSA-N 444.583 4.685 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncccc1C 1722658611 YJQIBWKOLMDXED-UHFFFAOYSA-N 430.943 4.938 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1cccnc1Oc1cccc(F)c1 1722669594 HZVIJKCVMWVIRJ-UHFFFAOYSA-N 430.487 4.826 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@](C)(O)c1ccsc1 1722676013 TWPLIUHADGAIBO-XMMPIXPASA-N 434.565 4.742 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCCCCCC1 1722734136 BQFPWPYNCRQSMW-UHFFFAOYSA-N 438.439 4.736 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC2(CCCCC2)C1 1740583784 ZOEIYYSQIVVQLB-UHFFFAOYSA-N 430.394 4.620 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@](C)(CC)C1 1740585292 ZDUMXHQLNJJMKA-VWLOTQADSA-N 434.540 4.536 30 10 IJEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(F)(F)F)CC1 1740593562 JJOLKGYYVLLCNZ-UHFFFAOYSA-N 429.490 4.932 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCO[C@H]1CCCC[C@@H]1C 1740648422 GOAKRXRHDMHEEK-CAOCKLPOSA-N 432.612 4.878 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1Cc2ccccc2O[C@H](C)C1 1740746237 GMEHIEBSZAMSEO-OAHLLOKOSA-N 445.386 4.627 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1740873590 CKRQVFHDIUARDH-IAGOWNOFSA-N 438.498 4.543 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC2(CCCCC2)O1 1740931590 RRPUUIUOXLBJOT-JOCHJYFZSA-N 436.600 4.938 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCCCC1 1740935049 AEAOGCORMBEQQY-UHFFFAOYSA-N 446.643 4.783 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCSc2ccc(C)cc2)C1 1740979130 HIXKYFJDLHNTTM-HXUWFJFHSA-N 435.597 4.531 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 1748685241 WOGMVRVBIMZNFE-FQEVSTJZSA-N 447.583 4.552 30 10 IJEE C#CCCCCn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@H]1CCCOC1 1748729873 DNIQOYHQSSWNSC-LQWHRVPQSA-N 430.980 4.817 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CCOc2cccc(Cl)c2)nnc1C(C)(C)C 1749139724 IPQNEEJVULBLHS-FXAWDEMLSA-N 432.996 4.725 30 10 IJEE C=C(C)Cn1c(N(CCC)Cc2ccc(F)cc2F)nnc1[C@@]1(OC(C)C)CCOC1 1749207063 BDTKDZRGHHULOD-HSZRJFAPSA-N 434.531 4.590 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCCC)CC1)c1ccccc1 1749246065 FTWNPTULZPUTPG-XMMPIXPASA-N 448.615 4.639 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC=C(Br)C1 1749258052 KSWZAZUZIMUIQH-UHFFFAOYSA-N 432.124 4.979 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1749276634 OKFVYYWQBSQRTM-IBGZPJMESA-N 429.977 4.736 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(CCOC)CC2)CC1 1749287944 HGNPHPYOQNIURZ-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1749331115 VJDDCUJTYWCIOZ-NRFANRHFSA-N 449.643 4.703 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)CCC)CC1 1749396173 XGEXDTCGBAEPKC-UHFFFAOYSA-N 429.996 4.840 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1749437994 NVGPQTSNZJRTIW-HXUWFJFHSA-N 436.560 4.516 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCN1CC 1749464911 HZAUCHDUZUXVCO-ICSRJNTNSA-N 432.012 4.795 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N(C)C)nc1)C1CC1 1749510970 CJWRUAAVPGNIKE-UHFFFAOYSA-N 430.600 4.907 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H](C)CC#N)n1 1751739820 DZOJYMOUFVPZOE-PKOBYXMFSA-N 438.601 4.781 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 1760138122 RJJHNIBYJWYURY-OAQYLSRUSA-N 441.620 4.743 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCCC1 1760296657 VZNRWIJDCNZIIC-WIOPSUGQSA-N 440.035 4.635 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1CC 1760304412 UJMIQKBGNGGFAF-CYBMUJFWSA-N 440.183 4.995 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760341561 JDBKFISDSYNPLF-VDZJLULYSA-N 438.494 4.767 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760346888 MQISMGYNKWXLEO-YADHBBJMSA-N 437.632 4.544 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccsc1 1760353684 AZKRXHOWIRQVKU-SFHVURJKSA-N 429.977 4.989 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760353765 DUBXEPBNCLAVOQ-SFHVURJKSA-N 427.574 4.588 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1760368104 UIXHHFVQMAWOGF-CHWSQXEVSA-N 425.733 4.834 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)CCC)CC1 1760385381 TUQJRNAPGXSWNT-FQEVSTJZSA-N 437.357 4.554 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1760386383 WDQNUBMMDMWCET-UHFFFAOYSA-N 435.572 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760408574 OZLDWXXDADQMIE-VGSWGCGISA-N 440.588 4.568 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCSCC1)c1ccccc1 1760420723 UUZLKJCYBAISCX-IBGZPJMESA-N 425.627 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(OC)c(F)c1 1760486966 FYVNFLRBDMCCQK-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CSCCS1 1761077668 FGWCRFBGAFMCPE-FQEVSTJZSA-N 447.649 4.623 30 10 IJEE CCCCCCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 1861190905 NROOCSNDVQJLHD-PZJWPPBQSA-N 436.040 4.533 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12 1861384425 KPDCFBPKEDJCFO-RUZDIDTESA-N 433.596 4.915 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1cccc(Cl)c1 1861549328 WCTDAWMVYFUOOF-WRBWEIJPSA-N 435.008 4.572 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OC)cc2)cc1 1862392248 SPAHKBRVIGQNRD-ISKFKSNPSA-N 449.547 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Br)cc2)cc1C 1862409824 UMWQZCQZDANEFD-IBGZPJMESA-N 444.325 4.753 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)cc1 1862411367 FZEPPQNVUUXQKI-WHIIXXIBSA-N 427.447 4.827 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Cl 1862416956 MSUZACPJOWKPFJ-IBGZPJMESA-N 435.854 4.623 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1862446944 DVPXFCBIBBWHFU-IBGZPJMESA-N 427.884 4.807 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccccc2Br)ccc1F 1862509768 PCROMONJFLPEKW-GOSISDBHSA-N 432.289 4.883 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862537110 ODEUQZDYTDKRNN-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 1862537938 BXQIAQJWZSSTQB-HSZRJFAPSA-N 447.487 4.638 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862555604 XSTFRRNJHKDVLM-XMMPIXPASA-N 426.516 4.973 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862560048 CMWIPLQQMZHVSL-XFEVJDRUSA-N 429.520 4.907 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862656647 KSQOQNWPXMUOIU-OAQYLSRUSA-N 449.890 4.972 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2C)cc1 1862687766 PFJHJHIOYAOYLM-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2C)c1 1862736716 NBLIOFXYVOEEFR-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)c(C)c2)C1=O 1862877526 SYKJGLDSVRFZBB-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE Cc1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885404 RVGKAMPHOVUQKD-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545748 LSCMQABEQOQTSX-UHFFFAOYSA-N 427.589 4.864 30 10 IJEE C=CCN1C(=O)C(NCc2cccc(C(F)(F)F)c2)=C(c2ccc(OCCC)cc2)C1=O 1863683347 JRWOGFBJVDMRKI-UHFFFAOYSA-N 444.453 4.550 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](c1ccc(Cl)cc1)C1CC1 1868867675 GJGUOLIIYWBIHZ-RPWUZVMVSA-N 436.983 4.762 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nn1-c1ccc(C)cc1 1869938419 JEHPLAWGKCWCQI-WOJBJXKFSA-N 427.593 4.878 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870233031 AGPVUFVUUALTLC-UHFFFAOYSA-N 430.533 4.629 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CNc1ccccc1 1871231003 SSCOIKQVWRPJIW-UHFFFAOYSA-N 432.520 4.791 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)cc1 1871364022 CCRAIIDGNZTAKD-UCQKPKSFSA-N 430.456 4.994 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3C2=O)c1 1871379290 POHLGIYHNJOPOJ-FMCGGJTJSA-N 440.407 4.637 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871456605 NFHOELQJEUXTEN-QRVIBDJDSA-N 446.478 4.834 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871825502 SQVLYQQHEANKLH-IBGZPJMESA-N 444.597 4.803 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCCCC)cc1)c1ccccc1)S(C)(=O)=O 1872175913 YMUDGZAUCGUDJK-QHCPKHFHSA-N 444.597 4.773 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1)S(=O)(=O)CC 1872358959 CFUJRVMQXXLFEU-LJQANCHMSA-N 440.487 4.613 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1)S(=O)(=O)CCC 1872434019 PVELXMMTZBVQLP-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)c(F)cc2F)C1=O 1873243847 QCRARQNIMZBYBG-CQSZACIVSA-N 447.416 4.929 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)cc1OC 1874237520 MPPCPSYAKFXORX-BUVRLJJBSA-N 434.521 4.654 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cc(C)ccc1O 1874476494 OEXJLDUXPLPSIU-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(F)cc1F 1874494001 AAHHYWSMATXBKC-BRJLIKDPSA-N 441.507 4.745 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccncc1 1875176186 AGRWBXFLWMYLTE-WEVVVXLNSA-N 433.460 4.613 30 10 IJEE CCC1(C#N)CCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1 1902371462 INQKDGCNOJETIY-UHFFFAOYSA-N 443.547 4.600 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Br)c1 1963804365 QTALLBXOMXGTFN-OAHLLOKOSA-N 431.758 4.578 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1976433486 CYIPKVJSJBLSOK-AUUYWEPGSA-N 435.487 4.715 30 10 IJEE C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)C=Cc2ccccc2F)cc1OC 2040435978 AQQGHDGLVBDLJR-NRFANRHFSA-N 425.500 4.620 30 10 IJEE CCOP(=O)(OCC)c1cn(Cc2cc(F)cc(C(F)(F)F)c2)nc1C(F)(F)F 2080389917 MKPHFMNBNUNCEF-UHFFFAOYSA-N 448.275 5.000 30 10 IJEE CCc1c(-c2ccc(Br)cc2I)sc(C#N)c1N 2086151206 LYUHSCVZALAQFV-UHFFFAOYSA-N 433.112 4.798 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(C)cc1Br 2116829554 NKNQNSPXSPJFQS-SJLPKXTDSA-N 427.358 4.854 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(c2cc(Br)cc(F)c2C#N)C1 2118201544 RJYKSHTVUKYDGQ-ZDUSSCGKSA-N 426.330 4.591 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2139306439 YSUROLPHXKDOQN-HXUWFJFHSA-N 429.399 4.773 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)c1cc(Cl)c(Cl)s1 2156096082 YJMDMSVTHNQCSR-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CC 2224252739 INEHBFKTJRJLJO-YOEHRIQHSA-N 429.403 4.566 30 10 IJEE Cc1cc(C(=O)C#Cc2ccccc2Br)ccc1I 2227462767 KMXWKOWVWRQXIJ-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229138216 MXMHIPRCJRMAAT-QZTJIDSGSA-N 441.486 4.907 30 10 IJEE N#Cc1ccc(F)c(CNc2ccc(Br)cc2I)c1 2231675331 VFTDHFBCGNPCHD-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)[C@@H](N)C#Cc1ccccc1Br 2235716197 FCRUSGSHQSPTBT-LSDHHAIUSA-N 449.311 4.610 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](C)CN1C(=O)OC(C)(C)C 2235723166 DRTVZNHNCRCQDV-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2235745643 DQGSWASQMHRQBL-PKOBYXMFSA-N 435.406 4.816 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](O)c1cc(C(F)(F)F)ccc1Br 2236335370 VIQSICCYJLMSNB-RTBURBONSA-N 444.291 4.862 30 10 IJEE Cc1cnc(NC[C@H]2N(Cc3ccccc3)CCCC2(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2241083294 ZZAZWTWEDDZKHE-HSZRJFAPSA-N 449.448 4.792 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CC1)C2 2267502732 SCCWRYNUZJVRDV-UHFFFAOYSA-N 442.365 4.545 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296225077 QTJCHBMDNBOTQB-OJAHFUOMSA-N 434.374 4.730 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(I)c(C)c1 2296304341 GFRYQRYNGFMDHD-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1C 2296567620 ZOGNAWSSXYUINL-HXUWFJFHSA-N 438.867 4.580 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCOc3ccc(C)cc3)c(OC)c2)SC1=S 2297303031 KHMJEVXRWJYGIB-UHFFFAOYSA-N 441.574 4.849 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2298486714 GNHHHDSBXATJRK-PFKNGNAYSA-N 434.541 4.509 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2CCCC[C@H]21 2305321930 IAWDRPIWHHSHCK-DNRQZRRGSA-N 428.573 4.698 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CC2)C1 2305404668 XVCDMFFXMABCSF-BWKNWUBXSA-N 428.573 4.698 30 10 IJEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2cc(Cl)ccc2C)n[nH]1 2313601980 FCRVENXMFRLYNO-UHFFFAOYSA-N 440.960 4.999 30 10 IJEE CCc1nnc(SCCO)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2321050665 MSJCPELCLHFTEX-UHFFFAOYSA-N 432.549 4.539 30 10 IJEE CCCCCOc1c(Br)cc(C=Nn2c(C)nnc2SC)cc1OC 2321065611 FLPNTJPVRQCWRV-UHFFFAOYSA-N 427.368 4.531 30 10 IJEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(CCCCCO)C4)C2=O)c2ccccc21 2322371355 BLSWVURZNJODIC-UHFFFAOYSA-N 446.547 4.900 30 10 IJEE COc1c(Br)cc(C=Nn2c(SC)nnc2C(C)C)cc1Br 2323580615 PHFWYHAIYYKSBH-UHFFFAOYSA-N 448.184 4.539 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)cc1 2325019485 MOHOELMSZQQDJD-SFHVURJKSA-N 443.499 4.876 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(O)c(Br)c1 2326240985 BFGUOCNGGNWUFW-UHFFFAOYSA-N 435.322 4.622 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1c[nH]c2ccccc12 2326796641 NQNYARXCCCZENG-UHFFFAOYSA-N 433.537 4.673 30 10 IJEE CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2329791799 MGKAAPZWFGEWNN-UHFFFAOYSA-N 446.507 4.831 30 10 IJEE CC(C)(C)OC(=O)N1CCC(=NOC(=O)CCCOc2ccc(Cl)cc2Cl)C1 2329921976 PJUWPHKGUVSEDV-UHFFFAOYSA-N 431.316 4.692 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2F)o1 2330576551 GPEIFFWMWZJWSX-UHFFFAOYSA-N 442.497 4.700 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Br)c2)cc1 2330967914 QPNSXDKIIJDUDF-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)NCCC)cc1 2331445326 JLCDVSHUQKMXIB-UHFFFAOYSA-N 445.633 4.546 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1c[nH]c2ccccc12 2331673733 ZSWKUHACRHQZDR-UHFFFAOYSA-N 436.516 4.635 30 10 IJEE COC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C#N)C1 9446789 CSLHIDZXBQPPNW-UHFFFAOYSA-N 435.958 4.519 30 10 IJEE CCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N\c1ccc(C(=O)O)cc1 16932124 GPJYCYRTWDSHDL-LCUCDLPVSA-N 431.311 4.771 30 10 IJEE C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O 33314469 IWPILMJADHKDSL-UNOMPAQXSA-N 427.909 4.906 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)cc1OC 33385636 ZHCUFQRFXHMZGF-FPMWVBFKSA-N 428.440 4.939 30 10 IJEE C=C(C)Cn1c(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@H](C)C2)cc2ccoc21 35844076 TWLYGLQVRHGMGO-FVFHPELPSA-N 449.595 4.700 30 10 IJEE Cc1cccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)c1C 38623093 RLQJBHHAMRXRNZ-RTBURBONSA-N 430.504 4.610 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95074521 GYSFSXCLPORYDU-OAQYLSRUSA-N 445.567 4.792 30 10 IJEE CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccc(F)cc1 169936605 VRJXIGZECCZHRT-QFIPXVFZSA-N 428.529 4.527 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(N(C)C)cc2)c1 169955644 DGXTVMINGKPLAJ-XMMPIXPASA-N 441.531 4.543 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)cc1 169979398 IEYUKUWGWBHOMJ-QHCPKHFHSA-N 449.503 4.723 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccnc2)cc1 170006617 ZNYXRZAYZQCMAN-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)s1 170065502 BCFLSGHFINLCGT-LJQANCHMSA-N 440.471 4.817 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(O)cc2)c1 170132276 HJZSUZKRFXZKTC-HSZRJFAPSA-N 445.471 4.670 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 170141831 PMCQLEQYOZLYMK-UHFFFAOYSA-N 433.552 4.698 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(OC(C)C)cc1 170152183 YIHFPNFOGVSKIU-IBGZPJMESA-N 428.554 4.926 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1cccnc1 170185292 RUYXZBKHJZTEMY-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1C(C)C 170229859 IGOZKQAVPQEECW-DVECYGJZSA-N 449.547 4.884 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)c1 170260558 JCZGWJAYSMFYHX-QHCPKHFHSA-N 447.487 4.799 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC(C)C)cc1 170265261 IDCOZJHAGPUTPZ-OSPHWJPCSA-N 449.547 4.576 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)c1 170307060 NBBSVZMNSCTDIR-IBGZPJMESA-N 427.840 4.622 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C\c2ccc(O)c(OCC)c2)C1=O 206883537 RHYKCYNAPDVEMD-UYRXBGFRSA-N 425.506 4.643 30 10 IJEE COc1cc(C=NNC(=S)Nc2cccc(C)c2)ccc1OC(=O)/C=C/c1ccccc1 254816884 VWHGNWYBBARYKV-OPTOGNRVSA-N 445.544 4.943 30 10 IJEE CCn1nc(C(=O)N2CCCSC2=Nc2ccc(C)c(Cl)c2)c2ccccc2c1=O 254872603 UIUHELYLKWBMTF-UHFFFAOYSA-N 440.956 4.645 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccccc3OCc3ccccc3)c(F)c2)OC1(C)C 405033542 RZVUSWUJKFQBLG-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 485366752 GRZPMOLGUSYVRZ-UHFFFAOYSA-N 446.463 4.706 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)n2)c1 547062137 BDQHUELREDMTNI-DLBZAZTESA-N 429.398 4.822 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Br)c2)nnc1N(C)Cc1cc(C)on1 555254978 ZWEAHLXMHKZCII-HNNXBMFYSA-N 446.349 4.690 30 10 IJEE COc1ccc(Sc2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2Cl)cc1 732699162 ZOXKVYFQOSTPIF-KRWDZBQOSA-N 442.972 4.704 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccccc1NC(=O)Cc1ccccc1 735340183 ZNMHBZUOPPFGSW-UHFFFAOYSA-N 434.879 4.781 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)c1nccs1)[C@H]1CCOc2ccc(Br)cc21 739048592 DADQLOZMZOXSFX-HOTGVXAUSA-N 434.359 4.525 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 745226792 BAEGXQOTLPXSGW-KMFMINBZSA-N 430.476 4.644 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)c(OCc2cccnc2)c1 766492763 XWGVKLGPNZDPRY-YVMONPNESA-N 430.382 4.685 30 10 IJEE Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2c(C)ccc(O)c2Cl)c(C)[nH]1 777513717 VLNBNWSOFOKGPX-UHFFFAOYSA-O 439.948 4.781 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1=S 799941955 IGAFCXVINYBMQJ-OAQYLSRUSA-N 448.640 4.561 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 802553736 SLMJGLSISORRGS-UHFFFAOYSA-N 441.576 4.732 30 10 IJEE Cc1ccc(NC(=S)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1F 1084371279 IKLHNLHWBKCPII-KILOICLGSA-N 444.535 4.885 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(OCCCC)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1128132457 MPYGXTRLEPYNQH-XMMPIXPASA-N 448.991 4.928 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 1129702765 KKMCUMJOACTSAW-JKSUJKDBSA-N 430.298 4.527 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cccnc1SCc1ccc(Br)cc1 1139865828 SFSXQQFLMFPLAD-UHFFFAOYSA-N 448.430 4.716 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(CN3CCCCC3)c2)CCCN1C(=O)OC(C)(C)C 1141581489 DCLGFEOQLLDCIH-VWLOTQADSA-N 427.589 4.957 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(C)(CC(C)C)CC1 1160651863 BSSYSKDLIQYHQN-UHFFFAOYSA-N 437.378 4.773 30 10 IJEE C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1161476078 GTRHDKCARRRAFW-VBKZILBWSA-N 425.326 4.723 30 10 IJEE C=CC1(CC(=O)NCc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 1161921307 CRHBANAUUXFIQJ-UHFFFAOYSA-N 443.769 4.532 30 10 IJEE C=CCn1c(=S)sc2c(=O)n(Cc3cccc(Br)c3Cl)cnc21 1165345983 OALQGNIEEIGZLB-UHFFFAOYSA-N 428.764 4.639 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F)c1ccc(Br)cc1 1225548909 KNCBWOSNBBLSCO-MEDUHNTESA-N 441.247 4.924 30 10 IJEE C#C[C@H](NC(=O)NCCc1cc(OC)c(OCCC)c(OC)c1)c1ccc(Cl)cc1F 1228391171 PGLCKAPBEXGVST-IBGZPJMESA-N 448.922 4.501 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](COC)c1cccc(Br)c1)c1ccc(Cl)cc1F 1230509677 AUEACLVSKQCBMF-ROUUACIJSA-N 439.712 4.603 30 10 IJEE C=CCN(C(=O)c1cc(Br)c(F)cc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1269220011 TWZQISYIJLBBGP-FQEVSTJZSA-N 448.332 4.699 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)c(F)cc1F)c1ccc(Br)cc1 1275475497 YWBLKZBQAJQFDZ-HNNXBMFYSA-N 429.058 4.594 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1278997306 BXZHAGHWKCVMHM-CVDCTZTESA-N 426.582 4.767 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccccc1F 1286337622 OHGRSSKRXPQONO-HNNXBMFYSA-N 444.352 4.796 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1286382577 YOIIVTTWBIXPQI-OALUTQOASA-N 446.064 4.661 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H]1CCCn2cc(C)nc21 1286454031 FCBCZCNVECYMJJ-WIYYLYMNSA-N 434.563 4.653 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N(C)CCC(F)(F)F 1286509975 GFMOUIWWLIRNAJ-UHFFFAOYSA-N 428.549 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@](C)(O)CCC(C)C 1286527913 MFRMDCBDZFPAHA-FTJBHMTQSA-N 438.616 4.653 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1286539377 YLVZOKROOXSDOZ-INIZCTEOSA-N 436.423 4.912 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CC 1286542063 GTANJVGSFVJNKJ-HNNXBMFYSA-N 425.758 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2Cc3ccc(Br)cc3C2)nnc1C(C)(C)C 1286568799 YKSMAVDTKPUKIN-APWZRJJASA-N 445.405 4.840 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1286640864 ONLPGGRKAOKOTK-UYAOXDASSA-N 443.389 4.845 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(C)(C)OC)CC1 1286654509 KGOGKZRHBXAJCY-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2sc(C)nc2C)CC1 1286664097 PNCHEYOHWKCYRY-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1286672138 HNSZMBAVKGZWHU-UHFFFAOYSA-N 438.595 4.806 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286695958 OMJIGIRKVLPQQL-UHFFFAOYSA-N 443.020 4.652 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC)C1 1286709162 XZQABNQBQHOCOE-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 1286801015 VCESGOFCVQOGQV-VMBXEPDQSA-N 443.661 4.718 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCC(C)C)C1 1292340558 BJVOYLFBIALPSH-RPBOFIJWSA-N 439.604 4.542 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 1292564153 HAHPCOIFPDDNLZ-UHFFFAOYSA-N 430.489 4.966 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 1293892357 TZNWDLHYAZRKJH-UHFFFAOYSA-N 435.349 4.893 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1c(C)noc1C 1300272886 CIFOSEUZRQFCFW-VKJFTORMSA-N 441.963 4.938 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1300383501 APZVYLMCHKVIGK-RPWUZVMVSA-N 449.643 4.761 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1300395105 WALLJMUPKDCCEY-OAQYLSRUSA-N 449.624 4.999 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](OC)c1ccccc1 1300517086 XCVCTKFNWGMQKA-DENIHFKCSA-N 444.604 4.592 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1300763409 VTKHENYHBLBLIS-IBGZPJMESA-N 429.659 4.759 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N(C)Cc1ccc(C)s1 1300856587 HIAPIDOASCPACK-UHFFFAOYSA-N 431.403 4.978 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](OCC(C)C)C1 1300882540 VOWNIGRTODEYFT-IPJJNNNSSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(c3ccccc3Cl)CC2)nnc1C(C)(C)C 1300896994 MQPVOEUFOAGSRK-WIYYLYMNSA-N 444.023 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1300920835 GECWPTBWLBSXMA-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(Cl)nc1 1300924627 FORJNIPBFIXGAS-UHFFFAOYSA-N 425.964 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC(C)C)CC1 1301144070 UQNHVRQSTJZWCJ-UHFFFAOYSA-N 427.549 4.849 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1301160222 NZEOOUZWPCETEY-YADHBBJMSA-N 439.648 4.995 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2cncn2)C1 1301173960 MGFDGDMJPONUMW-YADHBBJMSA-N 449.603 4.824 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301196593 FGISJEHJOSZFKX-QFIPXVFZSA-N 437.588 4.509 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(CC)CCOCC2)C1 1301537419 AKBSVSFRJDMLTA-PKTZIBPZSA-N 438.616 4.808 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)C(C)(C)C2)CCOCC1 1302599798 CESWYNQDWQBXEG-SFHVURJKSA-N 439.629 4.601 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2nc(C(F)(F)F)cs2)o1 1304318055 DZNCHMAFUGTJNQ-SFHVURJKSA-N 436.463 4.500 30 10 IJEE CCCC1(CNC2CCN(c3ccccc3C#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 1308890235 AIPTXOJKNFCHMK-UHFFFAOYSA-N 440.632 4.934 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1310257514 RQISPXIOKOVXKI-XMMPIXPASA-N 429.561 4.896 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 1310862747 UTNUGXNEYFZVAB-QGZVFWFLSA-N 434.334 4.566 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1)[C@@H]1CCCc2ccccc21 1312252602 KCZOQXMEXLOQIA-UKILVPOCSA-N 432.564 4.775 30 10 IJEE C=CCN(C(=O)Cc1cn(CC)nn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1350229638 BHDOIBOXFKWRKV-UHFFFAOYSA-N 429.549 4.850 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)OCC)OCC 1355459519 PCOTZHCWLAZVRP-QGZVFWFLSA-N 432.498 4.810 30 10 IJEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC(C)C)C1CCCC1 1359122468 VFEIGECCJYOYMC-HXUWFJFHSA-N 447.624 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359128832 HISBSPJUQCAEHF-QHCPKHFHSA-N 427.980 4.913 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(O)CCCCC2)CC1 1359162397 PEXXLMGFGICBOL-UHFFFAOYSA-N 440.588 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2CCOCC2)CC1 1359162511 SYJVZYFDUITUAR-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2csc([C@H](C)OC)n2)CC1 1359175978 HVTWKHBBDDPFOT-AWEZNQCLSA-N 444.992 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1359183565 OBQJRDFURVIJTB-UHFFFAOYSA-N 443.599 4.750 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1359184696 XCYCQABBPPNJCW-IYBDPMFKSA-N 433.394 4.924 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1359218546 MXGISJSXFLNCTD-JOCHJYFZSA-N 449.643 4.504 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCO1 1359274506 PLUVYNDBHCBEMM-KRWDZBQOSA-N 437.371 4.911 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1359344983 OYHOTYIBCSQTPZ-CALCHBBNSA-N 427.643 4.600 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1=Cc2cccc(OC)c2OC1 1360644270 UTRRCAAZRYVOLX-UHFFFAOYSA-N 432.289 4.587 30 10 IJEE C=CCN(C(=O)COc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1435897362 CPURQGDFGKAQCR-IBGZPJMESA-N 436.335 4.561 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 1438916434 BCRQBRSPRNXEOH-JOCHJYFZSA-N 445.540 4.891 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnn(CCOC)c1C)c1ccc(C)c(C)c1 1443627879 AOZGLZYPVTYCPO-UHFFFAOYSA-N 433.552 4.867 30 10 IJEE CC(C)[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)NC(=O)OC(C)(C)C 1443807610 BQALFPJZUMHHFM-HXUWFJFHSA-N 441.503 4.769 30 10 IJEE C#CC(C)(C)NC(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1444085866 HWSPPMXVZLUOOM-JOCHJYFZSA-N 436.939 4.564 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N([C@H]1CCc2ccccc21)[C@H](C)COC 1454478675 YAUSJMHTMJPBCD-UXPWSPDFSA-N 436.980 4.573 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)Oc1ccccc1OC 1466816261 CNSOXPVIIHHNHM-CQSZACIVSA-N 435.318 4.612 30 10 IJEE CC(C)(C)[S@](=O)CCNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1466941265 CEHBIGXYKBFBNM-MUUNZHRXSA-N 436.393 4.645 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)cc1 1467308304 KQNJXFKZBAVZHE-UHFFFAOYSA-N 443.290 4.909 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1)c1ccc(Cl)cc1F 1469363932 XFVARZYXPMWOMY-XIKOKIGWSA-N 430.842 4.711 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1475909711 UAIDFROJAVJARD-VWLOTQADSA-N 446.595 4.540 30 10 IJEE C#CCN(C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1478177000 WNLIQJPOXDCHRC-UNMCSNQZSA-N 427.589 4.792 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 1478482180 HIHLAKWVCXHGFK-QKNQBKEWSA-N 442.485 4.765 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1F 1478900031 JTBQIIBSMZKHBW-MMOPVJDHSA-N 449.954 4.586 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS2)CCS1 1497716223 CBXUTQSUEMZQEF-LJQANCHMSA-N 427.643 4.824 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCc1sccc1C 1507521518 OAWOSPARYVPZCO-AWEZNQCLSA-N 447.377 4.917 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)[C@H](C)CC 1507679044 QFDNELJSXZUVFQ-HXUWFJFHSA-N 432.616 4.542 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCSC 1507682243 KZRRPCPMNPWBAS-UHFFFAOYSA-N 427.799 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(CCC)CC1 1507764542 QVQYMVMGBPFREH-XMMPIXPASA-N 438.572 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)N1CCC[C@H](C)C1 1507770318 MPODZFXREBJHRW-KDYSTLNUSA-N 433.644 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CC=CCC1 1507793506 ASYAREQMYDLJOH-HNAYVOBHSA-N 447.352 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CC)C[C@H]1CCCO1 1507802931 DWFSYHFUCKMRGO-WPYKKVEZSA-N 445.007 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCCOC(F)F 1507816811 YROQMBDIVMUPBF-UHFFFAOYSA-N 435.338 4.801 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(F)cc1 1507939880 SQSCQKRMIWEHKO-UHFFFAOYSA-N 432.341 4.788 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1 1508000404 AHOHSTCLZJTSEB-UHFFFAOYSA-N 439.604 4.994 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1C[C@H]2[C@H](C1)C2(C)C)C(C)C 1508010988 JLNDNJHYJXWHBE-QNWVGRARSA-N 437.607 4.875 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1516096781 GLJXUOVMVHIDBB-IBGZPJMESA-N 439.604 4.949 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)C(F)(F)F)cc1 1521343402 BTNSZKGAKACSCV-FUHWJXTLSA-N 445.466 4.736 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCC(C)(C)C(=O)OC(C)(C)C)s1 1526155721 BUURKFKMNREQLY-UHFFFAOYSA-N 433.039 4.713 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)CCCN1C(=O)OC(C)(C)C 1526411360 BWQVCCJUUSANLC-QFIPXVFZSA-N 447.507 4.820 30 10 IJEE CC(C)(C)c1ccc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)cc1 1526514913 FYDACMZXWHAUBE-JOCHJYFZSA-N 429.564 4.615 30 10 IJEE C=CCN(C(=O)c1sc(Cc2ccccc2)nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1529015682 ZLJQQTVFWZGIMX-QFIPXVFZSA-N 448.588 4.845 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc2c(c1)OC(F)(F)O2 1529485793 PEJGUCJNVUYQIQ-UHFFFAOYSA-N 442.231 4.667 30 10 IJEE C=CC[C@@]1(C(=O)OCc2cc(Br)ccc2F)CCCN1C(=O)OC(C)(C)C 1530379078 HIFYEFNCVJHVCR-FQEVSTJZSA-N 442.325 4.977 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(C(=O)OC(C)(C)C)c1Cl 1530850559 GTKVYOLHVVOQDG-UHFFFAOYSA-N 447.894 4.595 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]2c2ccsc2)nnc1-c1ccc(Cl)cc1 1535113042 IWSZGRWCWRJRRN-DLBZAZTESA-N 430.986 4.610 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1)c1ccc(F)c(F)c1 1537692404 QNIJUBDNWNFUSE-QFIPXVFZSA-N 448.535 4.541 30 10 IJEE C=CC[C@H](CC)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1 1538548300 OSZOXVYMVWJPRK-INIZCTEOSA-N 428.508 4.776 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CC(C)C)N(C)C 1538977005 RQVFIUYKYGTAPY-YKSBVNFPSA-N 446.643 4.787 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1539112333 MOZUDCLHDDLFJK-IBGZPJMESA-N 442.336 4.663 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCSC1 1539538027 AFLFYBLZDDSPJP-KHCICDEESA-N 440.613 4.562 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](SCC)C1 1539631125 JAAKDECCVZDAPW-CGXNFDGLSA-N 434.650 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)s1 1539633570 ZMIVUPDUTQMYRQ-WDYCEAGBSA-N 437.009 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1539652207 OWWKPNOGYZHLQI-RBUKOAKNSA-N 428.577 4.570 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539817335 ORGFNYPWQNAYPN-QHCPKHFHSA-N 432.996 4.868 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 1539948011 NTNBGSYFZVSJDO-BSIFCXSSSA-N 425.577 4.788 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1539997719 SIAJDUJBCLGDJI-IBGZPJMESA-N 442.361 4.580 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1CCN1CCC[C@@H]1C 1540147595 UCGGWHCCBLHFLP-NRFANRHFSA-N 435.641 4.916 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1540172382 ZCPQOVDEUZXDFH-CPJSRVTESA-N 425.596 4.697 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(O)c1 1540191184 GLCZVLGWMZUFSR-QGZVFWFLSA-N 438.597 4.524 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnn(CC)c1 1540810652 MPZQHBYQSQUPDJ-XMMPIXPASA-N 444.535 4.715 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCC(=O)Nc2cccc(Cl)c2C)C1 1540883207 VYRHOSQASNAAJM-WMZOPIPTSA-N 445.995 4.564 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)CC1 1540920242 SBSUXOJXJQJSAV-XMMPIXPASA-N 444.645 4.789 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C1CCCCC1)N(C)C 1541806227 GZPZSDYEHGMSGV-GBXCKJPGSA-N 447.631 4.530 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1546125332 BTDNQNKBKAKBLM-XLIONFOSSA-N 443.979 4.771 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](Cc2ccccc2Cl)c2ccccc2)c1 1559710530 KVPJXKDNJCISEX-QHCPKHFHSA-N 431.923 4.543 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1564035565 DHHXMVOTDLRJHF-UXHICEINSA-N 445.922 4.719 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)c1ccccc1 1584687766 HTOXJOUFWGZFQV-HXUWFJFHSA-N 449.293 4.898 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)O[C@H](C)C2 1586043323 BZMDGSOTKHTBHY-PZPSRYQVSA-N 446.425 4.921 30 10 IJEE CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)n1 1587008004 IBLWMNBTFCCCLY-UHFFFAOYSA-N 430.508 4.751 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](CCC)C1 1587718935 QUYRYTVRRZMAQW-AZUAARDMSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1587723306 IHIXIMIYOBEMHJ-UHFFFAOYSA-N 434.540 4.706 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1587807467 DLVCTPVMKQGMKS-QFBILLFUSA-N 431.378 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccc(C)cc1OCC(F)(F)F 1588223815 HLGXGLNIVVKWJB-UHFFFAOYSA-N 444.501 4.696 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1593711965 NJKURKANKWIHKO-SFHVURJKSA-N 442.947 4.750 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1594543619 CSHUUOLURQGFQU-DHIUTWEWSA-N 434.588 4.732 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CC1 1594560000 VVUWBQIQGFUDSG-UHFFFAOYSA-N 433.394 4.724 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC[C@@](C)(CC)O1 1594895165 GFHSTLNJLMQNQA-IIBYNOLFSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CC1(COC)CCCCC1 1595156514 NHKSDPJPVRNEBP-LJQANCHMSA-N 430.618 4.633 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccccc1)N(C)C 1595165498 ITPNZQJQXTUCMH-FGZHOGPDSA-N 437.613 4.687 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1csc(C)n1 1595178340 JOUCQYNDDMDIOH-UHFFFAOYSA-N 430.581 4.988 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2c(C)coc2C)C1 1595729404 LXCJXPGIILWIAT-HXUWFJFHSA-N 426.948 4.562 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1595878618 QNXMLSMTRGMZDG-FCHUYYIVSA-N 447.693 4.531 30 10 IJEE C=CCOc1ccc(C(=O)N2CCc3cc(Cl)cc(Br)c3C2)cc1OC 1597636175 UEFIRUIECBQPCK-UHFFFAOYSA-N 436.733 4.874 30 10 IJEE CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc(C#N)c(Br)c3)cn2)CC1 1612231145 HTEKTWSXFBFRMW-UHFFFAOYSA-N 446.349 4.833 30 10 IJEE CO[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@@H](C)CC#N)C1CC1 1618973875 HLZXDUYGAWSWMJ-XJKSGUPXSA-N 429.977 4.977 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)CC#N)C(C)(C)C 1619006440 FCJOCGGELXHBPW-NQIIRXRSSA-N 441.620 4.954 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Br 1622346729 LYUOOLWGHDEGOG-BXUZGUMPSA-N 437.197 4.625 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)C[C@](C)(C(F)(F)F)O1 1623101819 FROCUJSRRYCJQB-OAHLLOKOSA-N 432.336 4.731 30 10 IJEE C=CC[C@@H](C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C 1629215852 IVOQIBXPPJRSSI-XXBNENTESA-N 438.568 4.782 30 10 IJEE C=C[C@H](C)ONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1631874606 YKGHTWXZGDDPMK-ZDUSSCGKSA-N 449.363 4.956 30 10 IJEE C#CCN1CCC[C@H]1C(=O)Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1 1633210264 HXPZWXWRKLNHPO-IBGZPJMESA-N 434.284 4.507 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(F)c(F)c1 1634434569 DOFCJGPELLPDOY-ZWKOTPCHSA-N 432.433 4.973 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1640968979 VHPHTPRKMQBPHJ-XMMPIXPASA-N 426.582 4.561 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(O)c(Br)c1 1642540803 MPKSGFRLPMNSAS-AWEZNQCLSA-N 439.147 4.834 30 10 IJEE C#CCN(C(=O)c1cccc(OCC=C(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788216 NQZVGSFCMGMRTR-UHFFFAOYSA-N 426.557 4.507 30 10 IJEE C=CCn1c(SCc2nc(Cc3ccc(F)cc3)no2)nnc1-c1cccc(OC)c1 1652701671 WYRJOZMLPZAWJM-UHFFFAOYSA-N 437.500 4.545 30 10 IJEE C=CCn1c(SCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)nnc1-c1ccco1 1656183914 ZRZGFCXNIZIUCO-UHFFFAOYSA-N 433.324 4.904 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(c2noc(-c3ccccc3OC)n2)CC1 1657758065 MBUBNNOJEDLKQX-UHFFFAOYSA-N 437.927 4.790 30 10 IJEE COc1ccccc1[C@@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)c1ccccn1 1663186745 DEGDHNLLTGZOJW-JOCHJYFZSA-N 449.557 4.553 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1)c1ccc(Cl)cc1F 1667506055 DRSJVALPIVTEOP-BTYIYWSLSA-N 427.907 4.990 30 10 IJEE C=CCOc1cccc(NC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 1667735171 YQCLFLLSPXRXBO-UHFFFAOYSA-N 425.529 4.810 30 10 IJEE N#Cc1ccc(NC(=O)NCc2cccc(COCC(F)(F)F)c2)cc1C(F)(F)F 1668913163 BXYCZANMENVFEC-UHFFFAOYSA-N 431.336 4.978 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cc1C(F)(F)F 1669465504 CZCCZUGPKQWWCX-CQSZACIVSA-N 444.182 4.734 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 1672209578 GMQKVDCPXXRCHP-KRWDZBQOSA-N 444.329 4.633 30 10 IJEE CC(C)OC(=O)C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)C 1673452707 BNWQFZRPFJNGHQ-HSZRJFAPSA-N 437.540 4.819 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)c1 1674202086 BKTBZBIMFCXYSJ-IYBDPMFKSA-N 431.458 4.969 30 10 IJEE COc1ccc(OC(F)F)c(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 1679507215 FHMZSFMQJSVCFP-UHFFFAOYSA-N 443.475 4.896 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H]1CCCc2nc(CC)sc21)c1ccc(Br)cc1 1683507480 FDKDECGLFFNYAW-DOTOQJQBSA-N 432.387 4.861 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](C)c1c(C)noc1C 1689975479 YHGDUGPTAWCTDK-CYBMUJFWSA-N 448.354 4.642 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)c1cccs1 1690095741 BHUGLXBAUCQENN-UHFFFAOYSA-N 434.565 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1cccs1 1690253744 SNPJNEODSGVMCV-JTSKRJEESA-N 442.560 4.675 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCCNC(=O)C1CCC1 1690279634 VPLAVULSKQTVSZ-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1690304530 GDMQSUQNVNXKEB-PMACEKPBSA-N 445.007 4.834 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](COC)C1 1690334045 BZZNPQGFGCKSAV-GFCCVEGCSA-N 446.176 4.586 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1690445212 SZMUARHCEDQLSC-IBGZPJMESA-N 445.596 4.750 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc(O)c2sccc2n1 1690478291 RWNKLVJEVFUDSF-UHFFFAOYSA-N 440.960 4.911 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H](C)N1CCCCC1 1690519569 OHDMKULJOHKOLA-GOSISDBHSA-N 446.437 4.903 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCCCCC1 1690533573 OATDBQXHDAQLPK-UHFFFAOYSA-N 425.621 4.653 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690632809 RGWLMXPWICNVQG-KRWDZBQOSA-N 443.617 4.565 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=C)Br)C1 1690686263 LCOITRAEZZTQJF-MOPGFXCFSA-N 431.378 4.510 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(CC)C(C)C)C1 1690690333 WQFVMFMVCDPPSO-QHCPKHFHSA-N 439.648 4.754 30 10 IJEE CC(C)N(CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N)C(C)C 1690995314 HLYOZPBIFTYQCK-IBGZPJMESA-N 442.677 4.990 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1695087113 ARICOJLDQCFDSF-UODBTFMRSA-N 437.588 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC[C@@H](OCC)C1CCCC1 1705675422 OBGDHOBPWVOHKY-ZEQKJWHPSA-N 438.591 4.986 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CCCCO)C1CC1 1705684033 HPFIPIOPGWUMCE-UHFFFAOYSA-N 447.421 4.893 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2C)C1 1705687492 FMXOXRXAZWPLBX-GOSISDBHSA-N 433.394 4.662 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](CC)C1 1705730418 KDELYXGEMOCRRX-LEWJYISDSA-N 444.645 4.959 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705733586 RFQWHZWCDZQNQS-CEWLAPEOSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@](C)(O)c2cccs2)CC1 1705765377 JFKIBZJQWFHCFD-NRFANRHFSA-N 432.952 4.863 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1705771081 GUVCNYAPUJKVLL-QHCPKHFHSA-N 435.641 4.974 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](CC(C)C)N(C)C)CC1 1705771747 DJAAVPCDLQJFKL-FQEVSTJZSA-N 443.661 4.712 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1705791298 SFFGBFDDKWALMK-NHCUHLMSSA-N 437.588 4.572 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(Br)cc1 1705825758 CDABADVQPISHAQ-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccco1 1705862643 QHXXSOVBFZKNEB-XMMPIXPASA-N 436.487 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705871839 ZYYGBYHRKRZADA-LEWJYISDSA-N 430.600 4.792 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CCOC)Cc1ccco1 1705886322 LVAAEBFSWXKVKN-UHFFFAOYSA-N 435.553 4.809 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[C@](C)(CC)O2)C1 1705918144 DEEDABXRSDDBSF-STSQHVNTSA-N 430.980 4.728 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C#N)CC1 1708039963 AWUCSUXEKNFWGA-UKRRQHHQSA-N 434.407 4.945 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C1CCCCC1)N(C)C 1722290294 DBRCWTQWPJYCAB-CVDCTZTESA-N 446.599 4.569 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)N1CCC[C@H](C)C1 1722343495 HFQCRGLLUKKRLJ-OALUTQOASA-N 448.640 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)c(Cl)c1 1722401732 JANFGNOXYCLFFL-WIYYLYMNSA-N 442.966 4.500 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC[C@H](F)C1 1722401874 KZRXAQAYSGKUKN-HKUYNNGSSA-N 430.980 4.825 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCn2cc(C)nc21 1722406994 LGCOIXAXXFFRLA-FCHUYYIVSA-N 446.599 4.577 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1722450985 DYPWPIROKNWQGY-CTAFRAEOSA-N 442.604 4.939 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C(C)C)C1 1722487907 VYHSVNPDUFJLCD-SFHVURJKSA-N 428.378 4.672 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(OC(C)C)nc2)CC1 1722568715 XFCIJCWKWLJESB-UHFFFAOYSA-N 447.583 4.861 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@](C)(O)CCC)CC1 1722574473 LYWARHORUPFPFR-NBGIEHNGSA-N 426.605 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)C(C)C)CC1 1722578663 WAPWKPKLZSJSLY-UHFFFAOYSA-N 448.615 4.760 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722618683 LWJKBDUYFCIHKR-NRFANRHFSA-N 430.543 4.910 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCSC1(C)C 1722634382 DSPNZRONRCNPRT-LBPRGKRZSA-N 427.437 4.923 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NC1CCCCC1)C1CC1 1722645675 VQSOURQNKYPUNS-UHFFFAOYSA-N 427.980 4.592 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1722663818 IZYWIPASUDGROJ-GIVPXCGWSA-N 428.602 4.755 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)C2CC2)cc1 1722705393 CEWNTDAOHXMWTM-UHFFFAOYSA-N 442.361 4.638 30 10 IJEE CCOC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)CCCC1 1728827211 FEORYPOXJCDHPH-GOSISDBHSA-N 441.551 4.646 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1740634158 HLPAEACXGMEXMY-FGZHOGPDSA-N 448.611 4.646 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1CC1(C)CCCC1 1740675662 GQUPGAZNPOIAOY-UHFFFAOYSA-N 439.579 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1740751939 QBQRPQWDEUWOST-VGSWGCGISA-N 446.542 4.709 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740763861 QRYGHVYFTVQJMT-SJBKTWHCSA-N 444.645 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nc(C)cs1 1740776803 CDCFKHNQRJFCQV-QGZVFWFLSA-N 436.585 4.700 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2sccc2Br)CC1 1740828096 AWJBWBGDOWVADA-UHFFFAOYSA-N 435.416 4.959 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1740852328 LPRIJARNSNZLIP-QGZVFWFLSA-N 434.531 4.950 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1740857476 NZRHVKJZSXUHEO-CTNGQTDRSA-N 430.556 4.664 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(F)(F)C1 1740863937 IIYMWNBITIMTDF-KRWDZBQOSA-N 439.551 4.594 30 10 IJEE C=CCCCn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1740881461 HSRVODFWMDJIJM-UHFFFAOYSA-N 435.616 4.598 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)C2(CCC2)C1 1740887183 DWIQLMUNJLHOOH-SFHVURJKSA-N 430.543 4.756 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCCc1cnn(C)c1 1740921783 IGDDJFMGDYKOBZ-UHFFFAOYSA-N 436.560 4.705 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)O[C@H](C)C1 1740997017 LNHQRAYWVOOUAB-GVDBMIGSSA-N 432.659 4.664 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1)c1cccnc1 1741319486 BWDLMPKBWAGDJK-SKPFHBQLSA-N 444.583 4.656 30 10 IJEE CC(C)COc1cccc(Cn2c(-c3ccccn3)nnc2N2CCC(CC#N)CC2)c1 1741578332 DLNQXENZNVAZLR-UHFFFAOYSA-N 430.556 4.553 30 10 IJEE Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)sc1C 1742041338 DXPZIFYINUDJIG-GDBMZVCRSA-N 442.564 4.612 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@H](C)CC#N)n1 1742517252 CAJBHFOZHQDDHQ-DOTOQJQBSA-N 447.568 4.907 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](OC)[C@@H](C)CC 1749080306 LBJTWFZFJDEUHI-ZCVJKFOLSA-N 426.630 4.932 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCO[C@H]1C(C)C 1749141970 NVQCGJJDXDXZKU-IRLDBZIGSA-N 439.604 4.611 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCC(C)(C)C)CC1 1749391519 UIQMWUUMRRNRGB-UHFFFAOYSA-N 440.592 4.768 30 10 IJEE C=CCCCCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1749409363 UWJAMXMYNAAWMP-UHFFFAOYSA-N 449.643 4.799 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)c1ncc(C)s1)C1CC1 1749527710 OKSDLUTVOYJKBL-HNNXBMFYSA-N 427.549 4.720 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2cc(C(CC)CC)no2)C1 1749703909 RIEIJRUHIAOZSB-FQEVSTJZSA-N 435.572 4.975 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CCOCC1 1750257698 AQFHIBZUKLGTRA-GHTZIAJQSA-N 439.629 4.744 30 10 IJEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1760158398 MTMJGQJMNKSYDW-SFHVURJKSA-N 448.596 4.667 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(C)C)C1 1760161927 RXAKPJHEGTXVEV-UXHICEINSA-N 429.609 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1760322524 UBHYARCBBIOTQU-OYRHQHFDSA-N 438.616 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN(C)C1CCCC1 1760331030 CKVKAPKIAFASAF-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@H](F)C1 1760337374 HGCMRTVFPUEICV-XUVXKRRUSA-N 449.615 4.933 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760351599 JKMKCRGSQFTSOK-LEWJYISDSA-N 439.648 4.754 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 1760375036 CZMCCOBWPOSXHX-HZPDHXFCSA-N 438.016 4.627 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(CC)CC)cc2)CC1 1760400693 JYZWHEIDSFVHPP-UHFFFAOYSA-N 430.600 4.945 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCCCC2)CC1 1760405375 RCEHMWPDRVZZEG-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760405378 RKBLJOBZHKPIOP-CPJSRVTESA-N 426.605 4.673 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCNc1ccccn1 1760458332 YAZAKPXTJVFPSN-UHFFFAOYSA-N 441.377 4.535 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccccc1Cl 1760468225 MPHYGVOFLLRCTK-IBGZPJMESA-N 445.995 4.868 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(F)(F)F)CC1 1760569684 XDQSWLZDMHEFMZ-UHFFFAOYSA-N 440.535 4.863 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760692271 BYOYYHOZAAMIEL-PNCHPQGNSA-N 429.012 4.705 30 10 IJEE CCOC1(Cn2c([C@@H](C)CC)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)CCCC1 1765935528 DPALCUXNRQGVFL-SIKLNZKXSA-N 437.588 4.590 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](F)COC)CC1 1772555214 ADLMXIVZYXCYMM-LJQANCHMSA-N 441.576 4.764 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=Nc1ccncc1Cl 1772737617 PKMMLMLUNLAKPB-MPZUNYIRSA-N 429.929 4.932 30 10 IJEE CCCCc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(OC(C)C)cc3)n2)cc1 1857806699 GEOZSRDTQFEZKP-YSMPRRRNSA-N 435.597 4.836 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cs1 1859556194 UXBZYZPRCWNBFE-UHFFFAOYSA-N 449.532 4.622 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Cl)c2)cc1C 1862402743 GWTDVAZKAWOJJA-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862477484 YEOBAUUQYMMBJF-JOCHJYFZSA-N 433.529 4.886 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480856 QIRFXSQSOYBIMR-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(OCC)c1 1862585993 JOETVNPVWVFZFP-LJQANCHMSA-N 448.302 4.862 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862601316 BIHPGIRLFNUQOR-IVZQSRNASA-N 439.508 4.565 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(F)c1 1862606110 KLTXYRKQPVDPBR-JOCHJYFZSA-N 439.483 4.756 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(O)c2)cc1 1862663990 ZGGUCEZOWLLVOQ-HSZRJFAPSA-N 428.488 4.689 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862666845 NHCYEUKRKCUZDJ-ZHRRBRCNSA-N 435.520 4.973 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1C(=O)O)c1ccc(F)cc1 1862678434 NVIVZXCDCPGMCF-JOCHJYFZSA-N 449.478 4.993 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862736812 OUZXFMNTAVWYFB-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863058735 CZEFATOYXPPRIJ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1863172969 GCJRURRQLOFMJN-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(N(CCC)CCC)c2)=C(c2ccc(OC)cc2)C1=O 1863336790 VMMBSGOEIWXWEY-UHFFFAOYSA-N 433.552 4.700 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccccc1 1863994183 IDGUXTQZKQVJLU-QFIPXVFZSA-N 448.526 4.536 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CSc1ccc(C)cc1 1870303970 UIEDMJSNABYJIH-UHFFFAOYSA-N 430.614 4.934 30 10 IJEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(C)cc1 1871118509 SXXBQPJKXPLVJU-UHFFFAOYSA-N 427.589 4.774 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1cccc(C)c1C 1871197751 CCLXMWLPELGBEY-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871924740 NBCNERNGBXJSLV-CVDCTZTESA-N 444.597 4.706 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)cc1 1872102367 SKFMRVBLXBOYSO-QHCPKHFHSA-N 439.581 4.851 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872267824 MLHTZOANMXVDNG-FDDCHVKYSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872529938 YQFOHNYVMUGCJN-JOCHJYFZSA-N 446.638 4.549 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(F)cc3F)n2)c(OC)c1OC 1872787911 AUUDMLWORVFVDB-OAHLLOKOSA-N 444.459 4.533 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cc1 1873526403 CWKFSVVRMAQZSI-ZMOGYAJESA-N 430.339 4.832 30 10 IJEE COc1cc(/C=N/Nc2cnn(C(C)(C)C)c(=O)c2Cl)ccc1OCc1ccccc1 1873526753 UPKATXDKPUILRT-DHRITJCHSA-N 440.931 4.685 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3ccccn3)ncnc21 1873633148 IUSWTFUAASGBDA-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE Cc1cccc(CSc2nnc([C@H]3CC(=O)N(C(C)(C)C)C3)n2/N=C/c2ccccc2)c1 1874275022 QTDAWZAXSJVSPV-YYHBXHNPSA-N 447.608 4.875 30 10 IJEE C=CCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)C)cc1 1874276872 CVQIDAROYXIQCU-ANRKENSESA-N 425.602 4.676 30 10 IJEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1cccn1C 1874352967 KEMIZGZONNNIKG-MFKUBSTISA-N 431.565 4.816 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(C(C)C)cc1 1874387931 LTCHPWRBHYXKKG-JVWAILMASA-N 449.624 4.801 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2C)c1 1874447421 BNDARLZDZRSWKS-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCCCO)cc1OCC 1874491551 XETIKMAJSLHYCA-JJIBRWJFSA-N 448.633 4.801 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(CC)cc1 1874506901 BEZKICIXGVPLGT-OEAKJJBVSA-N 426.542 4.737 30 10 IJEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc(OC)cc3OC)c2)o1 1874599167 YFBSMZWVXFBUPS-XYOKQWHBSA-N 436.460 4.949 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCC(=O)OCC(C)C 1874614510 KFKQRQUJJPWDSJ-MDZDMXLPSA-N 447.325 4.932 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(OC)c2)cc1 1874617180 OTOCARCFVLOVTN-WUXMJOGZSA-N 426.509 4.958 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 1874620138 LCYGSIZEHGADJR-RMKNXTFCSA-N 445.443 4.669 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3c(OC)cccc3OC)c2)c1 1874694725 QWOIJJVSSTVIKC-ACCUITESSA-N 448.471 4.836 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)c1 1875104041 CJCDXDPGTAXCNV-RMKNXTFCSA-N 432.428 4.548 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875130820 UBBBQMUOJWQEID-PZVJUEDKSA-N 436.504 4.803 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 1922808857 BITXWZBHDDXQJR-NVQXNPDNSA-N 446.632 4.526 30 10 IJEE C=C([C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC)[Si](C)(C)C 1923016765 USPDVHMOEKPUCW-QFIPXVFZSA-N 433.713 4.815 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 1926492540 LIYIJJQGDKNQLC-QMHKHESXSA-N 431.533 4.586 30 10 IJEE C[C@@H](CC#N)Nc1cc(Br)c(I)c(Br)c1 1931649897 MFJZLIAUEPPZBU-LURJTMIESA-N 443.908 4.530 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1976670396 LDBRZPZKEDAHLT-BDQBCWGISA-N 435.487 4.571 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 1983329798 AHUXKZIQJGNSHT-UWJYYQICSA-N 427.463 4.764 30 10 IJEE C=C(Br)CN(C)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 1985079667 SFDSKNOROGXVLX-UHFFFAOYSA-N 448.155 4.777 30 10 IJEE C#CCCCC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2005505439 QMUQMEQUORMEEQ-OZXSUGGESA-N 427.633 4.718 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2032399625 FRDQOQPDSMIXDE-LJQANCHMSA-N 445.560 4.976 30 10 IJEE CN[C@@H](CC#CC1CCCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2032521605 ZZEDVOVOPHRMRC-RPLLCQBOSA-N 439.644 4.718 30 10 IJEE C=CC1(Nc2cc(Br)c(Cl)cc2[N+](=O)[O-])CN(C(=O)OC(C)(C)C)C1 2078024221 VCVWBGOBPWACAC-UHFFFAOYSA-N 432.702 4.598 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(CCOC)CCCN1C(=O)OC(C)(C)C 2082241192 VKZFQEOZSOWACJ-ZEQKJWHPSA-N 446.632 4.934 30 10 IJEE C[C@H](NCc1occc1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2101329621 TZBPYTUKUKNULM-INIZCTEOSA-N 442.365 4.777 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNc2cc(Br)cc(F)c2C#N)CC1 2107449713 KZACDBBZOUFWEU-XBXGTLAGSA-N 426.330 4.955 30 10 IJEE CCC[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCN(C(=O)OC(C)(C)C)C1 2180955710 CQNAWXDCSZLOJT-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE C=CC[C@H]1CCCCN(C(=O)c2ccc(Br)cc2I)C1 2207266859 CKQSNWDIYMDSEG-LBPRGKRZSA-N 448.142 4.872 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2235729154 MPKSPTXLOBSEPK-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2235734779 XTGGTZCUVSRALQ-DENIHFKCSA-N 435.406 4.958 30 10 IJEE C#C[C@H](C1CC1)N(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919851 ZFFPNDZCCKDNHY-CLJLJLNGSA-N 444.575 4.810 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2244487435 QGHHCLIPTDLHRP-RTBURBONSA-N 435.487 4.763 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1C[C@@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2246604802 ZZNUJIRQSIMAOS-ZCNNSNEGSA-N 437.625 4.615 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247921262 MCNAGHGMHGVBPZ-MRXNPFEDSA-N 428.407 4.519 30 10 IJEE CN[C@@H](CC#CC1CCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2251483904 YUDZWKALYGPMRQ-QHCPKHFHSA-N 426.601 4.612 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254751936 NQNVEGJGBUYPFN-UHFFFAOYSA-N 430.285 4.659 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1F 2255858147 LKEHGRXDJKDKDT-RYUDHWBXSA-N 438.280 4.733 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 2255859822 VNPGXXBPLGXTJS-WBAXXEDZSA-N 430.354 4.693 30 10 IJEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(Cc3ccccc3)C3(CCCCC3)C2)OC1(C)C 2267091514 RAZVXDGJCNTAPY-BHDDXSALSA-N 438.421 4.562 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2296293717 MQPUOHNWHSEYLY-VAMGGRTRSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1(C)CC1 2296310009 DEQPPLWLDOVIHB-OALUTQOASA-N 435.406 4.862 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)c1 2296866039 SUKRCAOUARCGDL-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2297745675 VZAMJRPSGDWCKU-OAQYLSRUSA-N 432.407 4.669 30 10 IJEE C=CCCN(Cc1ccccc1)[C@](C)(C(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2305403426 NTXRSQSXCRBTFR-WATLYSKOSA-N 430.589 4.992 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 2314438181 KKQUSEMKASCJNE-UHFFFAOYSA-N 433.416 4.807 30 10 IJEE O=c1c(Cl)c(NN=Cc2c[nH]c3cc(Cl)ccc23)cnn1Cc1ccc(F)cc1 2321672230 PSMRTYUSXCQVGU-UHFFFAOYSA-N 430.270 4.665 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1F)C3=O)CN(CCCCN1CCCC1)CO2 2322379293 KKKJBEGSYZMJKC-UHFFFAOYSA-N 436.527 4.778 30 10 IJEE Cc1cc(C)cc(OCCN2COc3c(cc4c(c3C)OC(=Cc3ccncc3)C4=O)C2)c1 2322416260 IEIOIROYRQBWNC-UHFFFAOYSA-N 442.515 4.854 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)C(Cl)(Cl)Cl)c2C)C1=O 2323035152 RZMVENXIIZIRFC-UHFFFAOYSA-N 427.667 4.895 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SC)ccc1OCc1ccc(Br)cc1 2323561783 PVPSFMNPWNJDLU-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCc1nc(O)c2ccccc2n1 2323807852 HMIRICNQSZPJRP-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OC 2323823602 YDOYLYLAXWRGKU-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1ccc(Br)cc1)C2=O 2324651917 IEDNIEOIAXMKQI-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325235019 UKTLSPZELYWCFX-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OC[C@H]3CCCO3)ccc2C1=O 2325684147 QKFAQDNOCPMHOA-MRXNPFEDSA-N 431.282 4.632 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccn1 2325951471 GEPLCSCMPBPPRF-UHFFFAOYSA-N 428.359 4.577 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2327974990 DFYOIHVGUNLXFC-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2[C@H]2CCCO2)ccc1OCc1ccc(C)cc1 2330881573 ZHDKSARDEUVGKP-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2F)cc1C 2331430360 JHHAOHZLIXQOLU-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 2331440461 WCZDLLXUPNHROS-UHFFFAOYSA-N 435.363 4.578 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1F 2331453337 GQXCQWKXOILYHN-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331563808 HLRRRCMKQDVVHV-UHFFFAOYSA-N 431.391 4.873 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339604380 OLUQGSNOOUSBEX-XUDAUXSOSA-N 443.397 4.562 30 10 IJEE CC(C)(C)/N=C1\[C@H](N2CCOCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 15861698 QFZAVOMZERERTG-LOMYJAPHSA-N 427.536 4.777 30 10 IJEE Cc1nc(-c2cccs2)sc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 26845382 HRBXLTYVYWHGKX-NSHDSACASA-N 443.575 4.786 30 10 IJEE COCCn1c(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nnc1-c1ccccc1 32721557 NIUIMRPKSMABNF-JWGURIENSA-N 448.592 4.564 30 10 IJEE Clc1ccc(/C=N/Nc2nc(SCc3nnc(-c4ccccc4)o3)n[nH]2)c(Cl)c1 59814082 QVUSJXFGLJWLTE-ZVBGSRNCSA-N 446.323 4.900 30 10 IJEE COc1cc(C(=O)/C=C\c2cc(Cl)c(OC(C)C)c(OC)c2)ccc1OCC(=O)O 96792840 QRGJPMKTJTWQHZ-ALCCZGGFSA-N 434.872 4.504 30 10 IJEE Cc1ccccc1-n1c(SCC(=O)NC2(C#N)CCCCCC2)nc2ccccc2c1=O 105666852 HUOYYCFOKBYLAB-UHFFFAOYSA-N 446.576 4.519 30 10 IJEE C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1nc(-c2ccc(F)cc2)no1 109550558 IEWCBDRZXAVEDB-INIZCTEOSA-N 442.450 4.817 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922108 UREDLHYSXOCWML-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1Cc1ccccn1 169946657 PHFOIKNNQYZQSH-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)c1 169997989 ZSHDEKJBXHQRKT-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1C 170134457 XUMXUVXYHVXQHW-QHCPKHFHSA-N 447.487 4.861 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)c1 170138300 GQIMJQMGXGSXDN-QHCPKHFHSA-N 435.520 4.948 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)cc1C 170168228 XAWQUINDTQXFDG-OAQYLSRUSA-N 434.517 4.547 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccnc2)c(OCC)c1 170188114 YMDAJLSRKPHPPD-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)cc1 170189174 QFVSLRQFHQSIDE-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@@H]3c3ccncc3)oc12 170200949 OKTGRVTZOAQXNM-JOCHJYFZSA-N 440.455 4.928 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccncc2)cc1 170205196 HYQRPWWLKMMSON-HSZRJFAPSA-N 444.487 4.667 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)cc1 170234988 ZCUVNSRNTKGYCF-NRFANRHFSA-N 443.927 4.660 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2F)cc1 170250875 IPOUSAQOKQKFQM-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC(C)=O)cc1 170320488 FGHAOVLMFXRZHV-QHCPKHFHSA-N 429.472 4.753 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Br)c3)[C@H]2c2ccncc2)cc1 170358712 ZYQYSEDFDBSXDY-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE COc1ccc(/C=N/N=C2/S/C(=C/c3ccccc3F)C(=O)N2Cc2ccco2)cc1 210533223 CJMBSIGBSMLVGK-IBTWPMPSSA-N 435.480 4.934 30 10 IJEE C=CCn1c(SCC(=O)NOCc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 248196066 PQOUQGKDHAIBQZ-UHFFFAOYSA-N 436.581 4.769 30 10 IJEE COc1cc2c(cc1/C=C1\SC(=Nc3cccc(C(F)(F)F)c3)N(C)C1=O)OCO2 252624434 PNUXZIPIYUDPNI-DRJAIGKASA-N 436.411 4.677 30 10 IJEE COc1ccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 254737586 KKMXWGRBMUGGLZ-UHFFFAOYSA-N 427.533 4.868 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1ccc(COC)o1 460387658 PPRDEKTUBWIDAO-HXUWFJFHSA-N 438.528 4.619 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Br)c2)n1C[C@@H]1CCCO1)C1CC1 460916928 HHDZWNQIYCXIIX-BEFAXECRSA-N 447.377 4.514 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCCc1nc(-c2cccnc2)cs1 479650248 FDOSMIAKJUGBOC-QHCPKHFHSA-N 434.565 4.619 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nnc1-c1ccncc1 481356807 BMPKPDFDBHJMFR-IBGZPJMESA-N 447.608 4.836 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 508818325 SDJBRXJOMHRPIF-GOSISDBHSA-N 437.975 4.571 30 10 IJEE N#C[C@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)c1nc(O)c2c3c(sc2n1)CCCC3 516465672 YBBGTSOCHHXKMM-OAHLLOKOSA-N 449.923 4.605 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)c1OC 526491267 SMVGBKGVGYBXGF-JOCHJYFZSA-N 430.435 4.772 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(C)c2)c(OC)c1 526521923 OJJWZUDJPALWFO-XMMPIXPASA-N 426.472 4.941 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)cc1OC 526607327 UUXBOMIBWNGRCD-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526809608 PEWASBOGRHUCJF-UUYOSTAYSA-N 425.514 4.636 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2C)cc1[N+](=O)[O-] 526810689 HXEHMNVRUHLKBE-FMCGGJTJSA-N 425.514 4.766 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N(C[C@H]1CCCO1)C1CCCC1 564371673 SSZUKNRHKRKAIM-LJQANCHMSA-N 428.602 4.693 30 10 IJEE CCOC(=O)c1ccc(N(CCCC#N)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586247134 AHUBRVYTFRFLEL-UHFFFAOYSA-N 428.554 4.660 30 10 IJEE C=CCN(C(=O)c1cnc(-c2ccccc2Cl)s1)c1nc(C(=O)OCC)cs1 604533842 UQSLJOJPDKCZDE-UHFFFAOYSA-N 433.942 4.930 30 10 IJEE Cc1cc(C(=O)N2CCc3cc(Br)c(Cl)cc32)nn1-c1cccc(C#N)c1 615818244 AQRWCHKVDRIHID-UHFFFAOYSA-N 441.716 4.671 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccccc1Br 642727329 OGSKQGWTHIXTIG-FQEVSTJZSA-N 438.373 4.944 30 10 IJEE C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CC[C@]2(CCCOC2)C1 685555856 KQBHJXDNWCKCPP-AREMUKBSSA-N 441.535 4.946 30 10 IJEE CN(C)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)n1 733678898 NTLJZYILBDZQEQ-QGZVFWFLSA-N 434.883 4.554 30 10 IJEE C#CCCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 742788368 VBUFPGJYJTVTGU-KNTRCKAVSA-N 426.516 4.882 30 10 IJEE C[C@H](OC(=O)CCc1cc2ccccc2nc1O)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 767789205 ORNDQWVTQQQDBB-SVTVQYSDSA-N 444.531 4.685 30 10 IJEE C=C(C)Cn1c(SCc2ccc(SC(=O)N(C)C)cc2)nnc1-c1ccncc1 768415809 UCCNVVJIJLUQJK-UHFFFAOYSA-N 425.583 4.982 30 10 IJEE CCOC(=O)c1csc([C@H](C#N)C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)n1 770436970 NMJKAFSPRWZLJE-GKWYLQRDSA-N 428.819 4.795 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)Nc3ccc(F)c(N4CCOC4=O)c3)c2)s1 797658010 CCJHCRCYXVWSRX-UHFFFAOYSA-N 436.468 4.704 30 10 IJEE CC(=NNc1nc(SCC(=O)OCc2ccccc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084517802 NNDOFEMWGSQUGB-UHFFFAOYSA-N 439.585 4.644 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2cccc3ccccc23)n[nH]1)c1cccs1 1084631868 OYFQBQHZVTWYES-UHFFFAOYSA-N 436.566 4.976 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 1125735358 CXVXVXDZVRLYRN-UHFFFAOYSA-N 444.260 4.873 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] 1126368939 ZDGYTIJKMPLJSA-UHFFFAOYSA-N 437.418 4.719 30 10 IJEE C=CCOc1ccc(COC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)cc1 1127956466 ZLYKHXIFSYOHPD-NRFANRHFSA-N 430.342 4.894 30 10 IJEE C#C[C@H](NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C)c1ccc(Cl)cc1F 1129735103 HKPZKFIMMUUOSG-NRFANRHFSA-N 434.902 4.715 30 10 IJEE C=CCn1c(SCc2cnn(CCF)c2)nc2sc(-c3ccccc3)cc2c1=O 1165424434 YRAOOXMROOQBHA-UHFFFAOYSA-N 426.542 4.769 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1206108437 HKXKTEBJVOTCDL-IBGZPJMESA-N 432.992 4.821 30 10 IJEE Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)cc1 1215243858 DIPJBRZTLNVDHA-SFHVURJKSA-N 436.581 4.673 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)Nc3nnc(-c4cc(Cl)cc(Cl)c4)s3)C2)cc1 1219421942 IABKFOFBSYSKAT-UHFFFAOYSA-N 446.319 4.679 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 1220476970 CISXIKXPXHQEMD-PGRDOPGGSA-N 431.536 4.514 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1266467151 GUVWVOVULHVJNT-UHFFFAOYSA-N 431.496 4.805 30 10 IJEE C#C[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(Br)cc1 1275462393 CQKNRLWBKZHDEK-JOCHJYFZSA-N 434.333 4.909 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccc(Br)cc1 1275473521 AKMIGWNUWBFWPA-NRFANRHFSA-N 439.353 4.771 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1286507920 MPBQYNHAUYOULA-IBGZPJMESA-N 440.613 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ccccn1 1286517096 PMLZGRWRTHJZDR-JOCHJYFZSA-N 426.351 4.882 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN(C)C(C)C 1286519308 WCWNXCOACNIHKK-YADARESESA-N 444.023 4.794 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[C@H](OC)C(F)(F)F)CC1 1286655575 RWOHNZSULDWIGU-FQEVSTJZSA-N 445.489 4.863 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](OC)C(C)C)CC1 1286656286 NCAAMRDOLYCUAK-LJQANCHMSA-N 433.394 4.781 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N 1286675579 PVUWERXSLLBABR-MRXNPFEDSA-N 446.393 4.818 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1286683118 JLSBENUUBIGYHQ-SJORKVTESA-N 448.036 4.548 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@](C)(CC)C1 1286708010 MERPDSCASRZNOF-IBGZPJMESA-N 439.423 4.988 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC2(CC2)C1)C(C)C 1286751596 QWTPOJUWXMYOFI-HSZRJFAPSA-N 434.632 4.728 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(SC)c1 1293931562 GDMKRMVYZWVZLO-QGZVFWFLSA-N 436.585 4.519 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 1296480387 BQCSJENKKTVZLG-MRXNPFEDSA-N 446.897 4.889 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1300365959 CHDFUYDZIZNKRW-HXUWFJFHSA-N 437.588 4.960 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCc1cc(C)ccc1OC 1300918773 HWNNSKGJGJRPNL-UHFFFAOYSA-N 425.602 4.596 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1300975769 ZPFBPZUKHLNLCI-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC2(CCCCC2)C1 1301000263 ORKFFSHDLYXDAG-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(C)C)C1 1301175766 HQFKDBPRGYECQX-HXUWFJFHSA-N 430.618 4.577 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2ccccn2)CC1 1301199225 YZUNROGONOQTSG-UHFFFAOYSA-N 448.640 4.957 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301214780 HDIDCHKBMRKKJF-BEFAXECRSA-N 433.478 4.559 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1 1301402259 KUQAXVSWFGNXFY-NRFANRHFSA-N 449.599 4.741 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCC2CCC(OC)CC2)C1 1301558142 ZWBNZUGKJVRMKV-HQNXYIODSA-N 438.616 4.554 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(C(F)(F)F)CC1 1301623922 PQVXXGOTNBKHOL-IAGOWNOFSA-N 444.567 4.815 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1 1304459097 FAGSXIIVECBVMP-SFHVURJKSA-N 433.618 4.904 30 10 IJEE CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1Br 1306790516 BKHYAQABFVCLJZ-UHFFFAOYSA-N 430.375 4.925 30 10 IJEE O=C(CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)NCc1ccc(F)cc1C(F)(F)F 1307658635 CGZQFNJKUOYYEB-HNNXBMFYSA-N 448.382 4.969 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1312936479 IRBKXLCURVHZFU-KRWDZBQOSA-N 441.247 4.864 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(Br)cc1 1312936798 LLMACMITLRPPLQ-HKUYNNGSSA-N 433.371 4.576 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)/C(=C\c2ccc(OC(F)F)cc2)c2ccccc2)c1 1351039944 YLABARCRMRQVJM-KQWNVCNZSA-N 446.453 4.565 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 1357175676 KOWQQCZWBWZQFK-UHFFFAOYSA-N 440.902 4.548 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@H]1C(=C)C 1358875326 NPBWIQCZIHXMBL-WMQCIHAUSA-N 447.608 4.816 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)C(F)(F)F 1358877126 XORLLEQJRXGEKM-LLVKDONJSA-N 447.274 4.893 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCCN1CC 1359115704 KOPCUYSSOJEBCI-QFIPXVFZSA-N 425.621 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1359184602 UBZGZPMGLWIXGH-MJGOQNOKSA-N 440.588 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1359191285 UINBRGWOKXSHBV-OAQYLSRUSA-N 449.603 4.509 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1359234332 LOZPBOXHYXCGAH-RBBKRZOGSA-N 432.597 4.584 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCO1 1359264111 UVXDOVRVTSEDGY-HXUWFJFHSA-N 438.597 4.701 30 10 IJEE Cc1cc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H](C)C#N)c(C)c1 1361011031 HACFDFHLUAMZEU-AWEZNQCLSA-N 441.377 4.605 30 10 IJEE CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1361233362 CZZWBWWLFNUNKT-SFHVURJKSA-N 441.528 4.766 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3ccccc3n2-c2cccc(OC)c2)c(OC)c1 1435189347 BPQKOSNGCAIAGG-UHFFFAOYSA-N 443.503 4.789 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 1435848095 ONNXSPPIGLSSOG-UHFFFAOYSA-N 438.483 4.917 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCc1csc(C)n1)c1ccc(Br)cc1 1460784196 JEPHTKKPAGTWCR-LJQANCHMSA-N 441.350 4.897 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(Br)c2F)CCCN1C(=O)OC(C)(C)C 1461567759 DVTIXAJZCRGOBW-IBGZPJMESA-N 427.314 4.873 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CCc3c(Cl)cc(Cl)cc3C2)ccc1C(F)(F)F 1463341288 CIXKMGXMNARUFA-UHFFFAOYSA-N 435.254 4.631 30 10 IJEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 1464140642 CIKANEJCQVFIQN-LJQANCHMSA-N 425.916 4.801 30 10 IJEE C#CCC1(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CCOCC1 1468111021 DMRKUFNXIDJGKZ-FQEVSTJZSA-N 445.332 4.549 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(OCc2ccccc2)c1 1469466153 VGPVXOXJKFNYPG-FQEVSTJZSA-N 425.529 4.849 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C(=O)OC 1471894583 BRDULCZMQAXBPS-OAHLLOKOSA-N 427.444 4.941 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)CCCN1C(=O)OC(C)(C)C 1471917326 QSNBSVDWBZIUDW-JPYJTQIMSA-N 433.618 4.578 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C[C@@H](C)O3)C2)c1 1476104635 XNCWPRSRFCNQKU-QFQXNSOFSA-N 435.568 4.539 30 10 IJEE CC(C)(C)c1csc(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1C#N 1476646667 CFQBFHWNXUQTCL-OAHLLOKOSA-N 434.924 4.637 30 10 IJEE CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1477861541 GNNAEOMXBLEREZ-RPBOFIJWSA-N 449.551 4.510 30 10 IJEE C#C[C@@H]1CCCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 1477965976 NMMVNVAYJSABSW-CQSZACIVSA-N 431.851 4.734 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCOc2ccc(OC)cc21 1478377462 JMWZZPLAWOGZDG-LJQANCHMSA-N 449.320 4.818 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1)c1ccccc1 1478896049 JQMUNYFIYFWATG-HSZRJFAPSA-N 447.579 4.629 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCOC 1507797453 PLGCODCAIPQNPY-DENIHFKCSA-N 444.645 4.729 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1507803346 BCLQUMAHBWTGEO-PMWMKWCKSA-N 449.599 4.585 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cccs1 1507805383 PIOWYXUHBRHQOU-KSFYIVLOSA-N 444.551 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1CCCN1C[C@H](C)C[C@@H](C)C1 1507819486 ZYRZEIRNYKOUMA-NHCUHLMSSA-N 425.621 4.724 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 1507853149 AONLDJXAHIOINR-OALUTQOASA-N 436.991 4.626 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCCCSC)CC1 1507879843 XHWWWKVCAAOAQL-UHFFFAOYSA-N 428.602 4.796 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1507880105 ZXZCRUNMWYXVIX-TZIWHRDSSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@@H](F)C1 1508000365 VLXKNWNGSIPAGX-FGZHOGPDSA-N 430.531 4.851 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1508006789 LLPAZGHYMYUZBL-DENIHFKCSA-N 439.629 4.989 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc3cccnc23)nnc1N1CC=CCC1)C(C)C 1508010805 FJHUIDQVIQXLNF-DEOSSOPVSA-N 442.611 4.958 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1(C)C)C(C)C 1508011617 UHUKVYDPODQGIP-QHCPKHFHSA-N 432.616 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)N1CCC[C@H](C)C1 1508018431 SHOSUWFIEAXELF-LEWJYISDSA-N 446.599 4.899 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1)N1CCCC1 1508862526 DSHOSAYMLGSIHQ-XUZZJYLKSA-N 441.023 4.849 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(Cl)s1 1517124385 HRCFZMISXZICBF-GOSISDBHSA-N 427.961 4.791 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(CN2CCCCC2)o1 1520236097 HDVHJHDCXXGAIA-UHFFFAOYSA-N 435.337 4.996 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](CCOC)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 1521510697 GEYAKXIPWBMCGH-IBGZPJMESA-N 437.458 4.959 30 10 IJEE C=CCOc1ccc(COC(=O)c2cnn(-c3cccc(Br)c3)c2C)cc1 1521898338 NBSRDJAOUBQISC-UHFFFAOYSA-N 427.298 4.865 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc(C(=O)OCCCC)cc2)CCCN1C(=O)OC(C)(C)C 1523016764 OHLMAAUKCIEZIQ-XMMPIXPASA-N 431.529 4.895 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Br)cc1Br)c1ccc(Cl)cc1 1525039002 QQNFBRJDOXPTKQ-HNNXBMFYSA-N 427.523 4.969 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 1525730516 FDURTWRMYZECSS-UHFFFAOYSA-N 444.579 4.921 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 1529075148 XTHABTPYGVPNPT-UHFFFAOYSA-N 425.594 4.647 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1C(F)(F)F 1531004331 BLJBQYUWHBMORK-OAQYLSRUSA-N 435.405 4.913 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2CCCCc3cc(OC)c(OC)cc32)cc(OC)c1OC 1536914528 FSHKVVWQGMPSSH-FQEVSTJZSA-N 425.525 4.647 30 10 IJEE C#CCC1(NC(=O)c2ccc(I)c(Br)c2)CCCCC1 1538561819 ATCZEBSZQUQDTM-UHFFFAOYSA-N 446.126 4.510 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N(c3ccccc3F)C3CCCC3)CC2=O)cc1Cl 1538818423 ATEPGUCNMWGIGU-MRXNPFEDSA-N 425.891 4.679 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC(F)F 1539055664 FIADOIINZSVBJA-UHFFFAOYSA-N 429.284 4.742 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)c1c(C)noc1C 1539196836 ZUKOLRZWPOLHDF-AWEZNQCLSA-N 429.977 4.702 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCOCC1 1539729764 KXGVKKXRKCNIAZ-LJQANCHMSA-N 448.995 4.508 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1CSC)c1ccccc1 1539939599 JELUCUPPGMUTLP-VSKRKVRLSA-N 426.630 4.864 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCC[C@@H]1C)C1CC1 1540116524 VJHNOOSJFPHULN-KSEOMHKRSA-N 429.653 4.616 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCO[C@H]1C(C)C 1540195749 GPRWOORDYXRBLP-RXVVDRJESA-N 432.996 4.689 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](c2ccccc2Cl)N(C)C)s1 1540350173 DPQNURCLRGAQHJ-MRXNPFEDSA-N 444.453 4.911 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540855640 GRWCEDUPFASCLU-UHFFFAOYSA-N 448.398 4.809 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1 1540920476 WUVJXVFXJFTENJ-UHFFFAOYSA-N 425.602 4.523 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCCCC1 1541513866 IBAQINVCVZDIIW-NRFANRHFSA-N 430.641 4.550 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@]23CCCC[C@@H]2C3)c1 1544300198 VFCWUXABBBPWLS-WZONZLPQSA-N 444.984 4.784 30 10 IJEE C=CC[C@]1(C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)CCCN1C(=O)OC(C)(C)C 1544426337 DVBONRUEBCFJCS-HSZRJFAPSA-N 438.515 4.584 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCc2sccc2C1 1545719355 FOVBPKDGWUFMQF-UGKGYDQZSA-N 448.640 4.536 30 10 IJEE COc1ccc(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1554884497 DDUNXTCKCMGZSM-SIBVEZHUSA-N 444.583 4.666 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C 1556859368 FHRHMIPCBYXJQD-INIZCTEOSA-N 439.343 4.809 30 10 IJEE C=CCn1c(SCc2cc(O)cc(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 1559333102 FYIMFACXUOBMQT-GOSISDBHSA-N 449.454 4.993 30 10 IJEE C#CC1CCN(C(=O)NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CC1 1563618388 JBJIGDXCSPGTKO-QFIPXVFZSA-N 445.563 4.762 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1)c1ccccc1 1565277743 WZUSZOZHZGMPFT-HSZRJFAPSA-N 444.583 4.864 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1585973626 NTEILOZECBXZAX-UHFFFAOYSA-N 430.545 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1587657927 XLFOKQBQWCYELK-FKBYEOEOSA-N 446.643 4.566 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCC[C@@H]1OC 1587662175 LWLACPOATZIGNW-JQVVWYNYSA-N 445.007 4.525 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@H]1CC 1587932058 KFZQKGBUWTZSIQ-HXUWFJFHSA-N 425.646 4.609 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCC(F)(F)C1 1588432853 JIUFDHCSMBUXEP-IBGZPJMESA-N 425.527 4.956 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1589164593 VTPYIRMCQFJSAQ-XLNZFTOWSA-N 426.008 4.711 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1589742302 JBSORBDHUZSLNA-IEBWSBKVSA-N 431.378 4.597 30 10 IJEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1593753144 XUJCRDVHLPJBDA-LJQANCHMSA-N 431.540 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1594477787 KAJRSYLRXXVSKM-HXUWFJFHSA-N 434.588 4.803 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)c1ccccc1 1594543486 ATNQFFZGXFSCSG-URXFXBBRSA-N 432.616 4.639 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1N(C)CCCC1(C)C 1595185039 LBWBLGXMCCJFFD-HXUWFJFHSA-N 445.558 4.845 30 10 IJEE C=CCn1c(Cc2csc(C)n2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1595421480 JSUKTKFYMYPDRH-ZDUSSCGKSA-N 444.402 4.706 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1603352506 AGAFYBQWZNHVIG-MRXNPFEDSA-N 425.337 4.585 30 10 IJEE C=CCn1c(Sc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)nnc1-c1ccccc1F 1611758824 WFRIRFGYDIODDU-UHFFFAOYSA-N 442.863 4.926 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C)n1 1615497972 GGBJASKXCGHORC-UHFFFAOYSA-N 434.594 4.912 30 10 IJEE CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 1622897415 DBIQDZNJAYEFMJ-CTNGQTDRSA-N 438.959 4.906 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(CC(C)C)c1C(F)F)c1ccc(Br)cc1 1623412550 MWYVTSZWVKERHW-AWEZNQCLSA-N 425.277 4.735 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)n(-c2ccc(C#N)cc2)n1 1624687401 FLCXPUDIJAEOST-NRFANRHFSA-N 447.514 4.866 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccccc3Cl)c2CC)cc(OC)c1OC 1625993151 CLFWJPWDSGAWAI-UHFFFAOYSA-N 439.943 4.764 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 1626172687 XBMILTWPHJBXOD-INIZCTEOSA-N 444.247 4.575 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C)(F)C1 1626681830 QXEPGVQBLSCBFZ-OAQYLSRUSA-N 442.918 4.607 30 10 IJEE CCCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1632790622 HSWAJPHDFRNUHQ-UNMCSNQZSA-N 436.556 4.692 30 10 IJEE CC(C)(C)OC(=O)c1ccnc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 1633217355 DSOIRDIXMXEVJU-UHFFFAOYSA-N 429.476 4.740 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1634415781 QNMKHKQAVBEXNN-HZPDHXFCSA-N 442.478 4.836 30 10 IJEE C#C[C@@H](C)N(C)C(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1635422863 GMHIVYFSWRTESY-HXOBKFHXSA-N 436.939 4.516 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 1637677411 BGDLLLJDMBDKIS-CYBMUJFWSA-N 449.292 4.501 30 10 IJEE C#Cc1ccc(C(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)cc1 1638689960 OMOYBBKKJVLRMZ-UHFFFAOYSA-N 430.935 4.863 30 10 IJEE C=CCC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)C(=O)OCC 1640863229 GGHFSWIGNLHIBW-HJTJBWIJSA-N 430.504 4.942 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCc3c(C)cc(C)cc32)cc1 1642174026 GKBJGTFWMFKXJU-UHFFFAOYSA-N 442.563 4.983 30 10 IJEE C=CCN(CCOC)CC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1 1642940791 KNBPQVOJRCFZMN-UHFFFAOYSA-N 446.595 4.910 30 10 IJEE C#Cc1cncc(C(=O)N2CCN(c3ccc(Sc4ccc(C)cc4C)cc3)CC2)c1 1645256482 BFVNUTCXJCDPIJ-UHFFFAOYSA-N 427.573 4.793 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)c1C#N 1648059466 CNZDSPZCRQLZIG-UHFFFAOYSA-N 438.553 4.830 30 10 IJEE Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1 1652915939 CZCPEXGMALWTET-UHFFFAOYSA-N 430.577 4.859 30 10 IJEE C=CCN(CCc1ccco1)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 1653044110 GKEQLUYYEIUPDS-DLBZAZTESA-N 444.597 4.700 30 10 IJEE CCC(CC)(CNc1c(C#N)cnc2c(OC)cc(OC)cc12)NC(=O)OC(C)(C)C 1655176350 ICAVDHFHWKUZCC-UHFFFAOYSA-N 428.533 4.619 30 10 IJEE C=CCOc1ccc(CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1Cl 1657962659 FRJWQEAYCPTSHX-KRWDZBQOSA-N 434.989 4.938 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1660834595 WNZKQBSCCAIBQC-UHFFFAOYSA-N 436.515 4.932 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(Br)c(Cl)cc1C 1660920605 LXLRNSOKXGHPNW-UHFFFAOYSA-N 444.778 4.796 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ncccc1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1670094631 IVEXYJNOHYALAN-SFHVURJKSA-N 432.471 4.823 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(Oc2ccc(F)c(C)c2)cc1Cl)[C@@H]1CCCO1 1671889740 MYFGPCZULJJXQN-YADHBBJMSA-N 430.907 4.902 30 10 IJEE COc1cc(NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c(F)cc1C#N 1673295744 DCKOAJFHZXLWFC-UHFFFAOYSA-N 436.531 4.759 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(Sc2cccc(OC)c2)cn1 1673300418 ISTMYAFAOWBTNN-UHFFFAOYSA-N 439.537 4.937 30 10 IJEE CC(C)(C)N1C[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1=O 1673678271 GAYOXKMUURWVOO-INIZCTEOSA-N 440.931 4.772 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1 1674221538 MVPYGBDGVRIDNQ-SFHVURJKSA-N 430.346 4.804 30 10 IJEE C#CCOc1ccccc1CNC(=O)NC1(c2ccc(Br)cc2)CCCC1 1677639446 PZZAXPMMMYCTMH-UHFFFAOYSA-N 427.342 4.730 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCN(C(C)C)C(C)C 1679779125 JXEDEVBEXLMJME-UHFFFAOYSA-N 428.390 4.795 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1680258219 DHDOIJZZLBFOMP-NHCUHLMSSA-N 428.577 4.562 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 1680280007 HUMQAYNFUBJFCS-XOBRGWDASA-N 442.428 4.751 30 10 IJEE C#CCN1CCC(NC(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 1684302057 XSAFFYDNUBHBTQ-QFIPXVFZSA-N 448.369 4.813 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)cc1F 1689835049 FHTDTTDBWHZFFW-HUUCEWRRSA-N 426.536 4.916 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nc(C(C)C)cs1 1690062088 CCBLTQNXXNQHIF-UHFFFAOYSA-N 431.512 4.634 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1690161539 JCCZTPKNYDECOA-VWLOTQADSA-N 438.641 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)COC 1690193537 MDICEFYNFJYXPY-LNZPYGSCSA-N 445.007 4.963 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)CCc1cccs1 1690232228 DGTXOEYQXFIPBA-UHFFFAOYSA-N 447.402 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1690239069 QWXMCFYAUNDICW-HNAWSFBYSA-N 445.405 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCN(CCC)C1 1690257844 WEVXUPHCLNPFSB-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1690274791 DJPZWUOKJQNIRY-IOMROCGXSA-N 428.552 4.917 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@](C)(OC)CC1 1690279306 AAHHXHJHUHZLKT-NRFANRHFSA-N 433.394 4.988 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 1690324038 GPRLMOAZCFIIAZ-OAQYLSRUSA-N 438.616 4.602 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC)Oc2ccccc2F)CC1 1690410864 ZYLWJYBTMHUXSE-SIKLNZKXSA-N 428.552 4.919 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1690506251 HTXZWIFICPAJRY-UHFFFAOYSA-N 445.489 4.728 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC2(C)CC2)C1 1690689614 IBRVOBMLMUTLAS-GOSISDBHSA-N 431.378 4.679 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCCS2)C1 1690711717 HBFGCBLUCJGCLL-SFTDATJTSA-N 442.629 4.541 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1cc(OC)ccc1OC(F)F 1694050452 HJQVZAGMNKMCNJ-HNNXBMFYSA-N 433.503 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCSC(F)(F)F 1705477415 NUCAXDHEVWECOT-HUUCEWRRSA-N 442.507 4.528 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCN1CCCC 1705490798 QSFVVUZKZYGSOJ-IFMALSPDSA-N 446.599 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1sccc1C 1705594036 NEMUKCRLOVCGLR-UHFFFAOYSA-N 448.592 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1705620776 GEXBCCZJRVCFNL-FNZWTVRRSA-N 437.607 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[C@H](F)C1 1705669378 KPZDYSVTPNECEY-FYINFDKHSA-N 431.353 4.838 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1705722633 UIMGBQRWQKVRHX-UYAOXDASSA-N 435.572 4.789 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1705728828 ZCEKFOOECVZACD-DNVJHFABSA-N 438.616 4.958 30 10 IJEE C=C(Cn1c([C@@H]2CCCCO2)nnc1N1CCC=C(Br)C1)c1ccccc1 1705742950 JTVYLCRRYBELES-IBGZPJMESA-N 429.362 4.722 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1705763828 GGDCGXTXYCNBPE-VQIMIIECSA-N 448.409 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](CCC)OC)CC1 1705777870 RRYVRPZTQFNBFQ-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 1705783177 VZLVLVALVHWWRH-DEOSSOPVSA-N 437.632 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1 1705789426 LDRFDGZDDXGSSD-UHFFFAOYSA-N 447.406 4.798 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1705808587 RSXVQFMCXHZMMG-UHFFFAOYSA-N 435.597 4.989 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccnc1OC1CCCC1 1705847164 HPFHXFLATUYMFL-NHCUHLMSSA-N 439.604 4.584 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1705861727 NCDUVQNJKQBADN-TZIWHRDSSA-N 439.604 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(C)CCC1 1705873562 NTHDUEGMUSQDGH-UHFFFAOYSA-N 432.572 4.605 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CC1(N(C)C)CCCC1 1705880871 SISSPCKQUDAXNR-UHFFFAOYSA-N 437.563 4.787 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1705888836 XQCUFMNUCJGJRU-HNNXBMFYSA-N 431.378 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(C)(F)F)C1 1705915351 JXJKPRQIVWCLKM-MOPGFXCFSA-N 434.531 4.862 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)C1 1706327039 HUSYZRJHKMQZJM-HYBUGGRVSA-N 435.597 4.658 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(C)C 1711641804 BPCMOAYINFANQN-VNYTWHDVSA-N 437.588 4.773 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1722488368 HAESUWABYUYCCV-POZUXBRTSA-N 433.369 4.932 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(C)C)C1 1722496384 KWKAYBKRQJMJKB-HBGVWJBISA-N 448.970 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC(=O)N1CCCCC1 1722506024 QFQAKLIONYWEBI-UHFFFAOYSA-N 446.599 4.607 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCOC2(CCCC2)C1 1722612701 YZKHFYVBFZDXJQ-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H]1CSC 1722622261 KQYRXALMXFIWNH-IBGZPJMESA-N 437.613 4.726 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C1CC1 1722631388 MAEXRVFYNZHGPJ-ROUUACIJSA-N 432.012 4.793 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1722647825 CRWYWPIVITYODV-UHFFFAOYSA-N 435.572 4.667 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](CC)C1 1722731612 ALTCMWOZBWOXFC-UXHICEINSA-N 430.618 4.569 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C(C)C)C1 1722734918 LGRNXPSKPSTHGZ-HKUYNNGSSA-N 446.686 4.912 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccccc1OC 1722740468 OVTILWPMSUWROP-FPOVZHCZSA-N 428.602 4.789 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccs1 1723988005 FJRCGYGADFQMLJ-YCRPNKLZSA-N 445.951 4.818 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](F)(C#N)C1 1726820924 ANPCLHNQDHJONY-GMWOSMDTSA-N 445.608 4.515 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1740592709 FKIJBQYEOUOYSH-JTHBVZDNSA-N 437.607 4.512 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740670465 OJZUPXDLRVZTBW-BGYRXZFFSA-N 442.051 4.738 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1740709280 LOJIJUYODXKZAF-LAUBAEHRSA-N 447.048 4.761 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(CCC)CCc1cccs1 1740758244 VMMKCBINSXYJEE-SIKLNZKXSA-N 437.613 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)c1cc(C)oc1C 1740775154 OSRZMOAMBLGPRC-XMMPIXPASA-N 426.536 4.528 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](C)[C@@H]1C 1740789214 IPCBHVZIEMSOCZ-PMACEKPBSA-N 436.556 4.945 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCN(C)[C@H](C)CC)CC1 1740837091 GBHDXNGVQGFGNQ-LJQANCHMSA-N 434.588 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2nc(C)cs2)CC1 1740850760 PJPMNFAQAHWYHX-UHFFFAOYSA-N 428.650 4.705 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC(C)(C)CC1 1740883229 NDPCZIVKTSHSPL-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cc(C)on1 1740884385 ZIOBPKZDWMJGFR-UHFFFAOYSA-N 441.601 4.801 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1CCc1cc(Br)ccc1F)C1CC1 1740909459 MRLFMOYFMRXLNL-UHFFFAOYSA-N 442.336 4.639 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)SC 1740936905 NMYBZABMVVPOHY-DFQSSKMNSA-N 432.634 4.776 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(C)cc(C)cc1C 1740942406 OGTHGFDJCGJQLY-FYYLOGMGSA-N 440.632 4.809 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCC(F)(F)F)C1 1740984278 ZCIPSYPHBFXIPP-GOSISDBHSA-N 438.494 4.598 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1F 1748652064 WMBAASVUGVHRKF-CYBMUJFWSA-N 433.350 4.723 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CC1(c2ccccn2)CCC1 1748879772 CMJFMWFFBFETIC-UHFFFAOYSA-N 429.955 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)c1c(C)noc1C 1749073127 HPZCAJAYOSANKG-AFMDSPMNSA-N 447.583 4.875 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)F)C1 1749214051 TYPYVXGXZLJMOA-DLBZAZTESA-N 438.494 4.631 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1749299077 MSMYOJMFAHLURP-JOCHJYFZSA-N 436.991 4.761 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H](C)C#N 1749355976 UJGIHXZSCBOJKX-HNNXBMFYSA-N 446.393 4.914 30 10 IJEE C=CCCCn1c(N(C)Cc2nc3ccccc3s2)nnc1[C@@]1(OC(C)C)CCOC1 1749440399 ZVXAOLHPEPVUMH-HSZRJFAPSA-N 441.601 4.531 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1cccs1)N(C)C 1749538958 RJXINVADKITBHX-NRFANRHFSA-N 432.597 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1749576370 KCECIGJAVWGPHG-XUZZJYLKSA-N 438.616 4.897 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1749608174 QKOMAGYMSXOTSB-MAUKXSAKSA-N 426.362 4.615 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2OC(F)(F)F)C1 1749700913 OABDWVLRWMZLKD-KRWDZBQOSA-N 448.445 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(Cl)s2)C1 1749717099 GTHRFJRTWMHWIX-GOSISDBHSA-N 428.989 4.608 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1ccc(Br)s1 1760166502 GAZXJWZHDBWVFU-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(CC)CC(C)C 1760322994 ACIRREOVDYJRCP-ZJSXRUAMSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC)(CC)C1 1760324490 KERQQHZRBPOPHD-WIYYLYMNSA-N 429.634 4.632 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1760346885 MQISMGYNKWXLEO-FCHUYYIVSA-N 437.632 4.544 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1760354380 YLRMCRWSAQCHFX-TZIWHRDSSA-N 440.588 4.572 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1760359313 FJJJMUXVTXLANC-QFIPXVFZSA-N 447.539 4.564 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccccc2Br)C1 1760376067 CTWADJXZTPQSLQ-KRWDZBQOSA-N 439.785 4.570 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760378129 ZWWDCYUBPUFAMC-SFHVURJKSA-N 444.963 4.921 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@](C)(O)C2CCCCC2)CC1 1760393037 GFWPPWYYFBLWGZ-AREMUKBSSA-N 438.616 4.907 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760409601 ACLGMKYBAYBDAN-HXUWFJFHSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1OCCC1(C)C 1760479664 WPOCVSXVJIUZHP-JOCHJYFZSA-N 431.540 4.726 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CC 1760482736 OQGOCSRYSJBBSH-DNRQZRRGSA-N 426.605 4.550 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)CC[C@H]2C)cc1 1760531382 NOVKSOFIPFIJPD-QZTJIDSGSA-N 437.613 4.872 30 10 IJEE CC(F)(F)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C#N)CC1 1761449555 FXLYUXNJVDXEHB-UHFFFAOYSA-N 442.283 4.632 30 10 IJEE Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1CCCCO1 1761617896 CTHRZAVQEDDSAF-FQEVSTJZSA-N 436.585 4.567 30 10 IJEE CCc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@](C)(O)c2ccsc2)cc1 1764451618 AWVFHYIEOAZASK-XMMPIXPASA-N 435.597 4.607 30 10 IJEE CCOc1cc(CCCn2c(N3CCC(CC#N)CC3)nnc2C(C)(C)C)ccc1OC 1765958419 COGLEKYCHQWEAW-UHFFFAOYSA-N 439.604 4.746 30 10 IJEE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=S)Nc3cccc(C)c3)cc2)cc1 1772733893 PHNISBMHPBNTIU-QAOJINJQSA-N 445.544 4.943 30 10 IJEE N#Cc1ccc(COc2cccnc2NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 1858826723 ICJHUDDXMKCALV-UHFFFAOYSA-N 447.926 4.540 30 10 IJEE COc1cccc(-c2nc3ccc(C(=O)Nc4c(C#N)cnn4-c4ccccc4)cc3o2)c1 1859743654 BGEKADNIIHCXKR-UHFFFAOYSA-N 435.443 4.813 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860943311 AVWCBZPUDQRYMO-OAQYLSRUSA-N 444.595 4.847 30 10 IJEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1cccn(CC(C)C)c1=O 1861288482 CRABAEGHMXVWMU-VWLOTQADSA-N 433.637 4.660 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1cccc(Cl)c1 1861549326 WCTDAWMVYFUOOF-WQHODERWSA-N 435.008 4.572 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(N(C)C)cc1 1862381076 RGLXZWLQLWTWNW-IBGZPJMESA-N 431.319 4.824 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862423321 ZOTRTNTZBDNBEB-OAQYLSRUSA-N 443.446 4.525 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862497640 PHZIKXMVEBBFFW-HSZRJFAPSA-N 435.520 4.864 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C(=O)O)cc1 1862535344 YFYNAYZPNHSMDK-OAQYLSRUSA-N 447.512 4.787 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2)cc1 1862556109 PGTZTZPYBKCXLY-IQMFZBJNSA-N 446.478 4.756 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1 1862593486 UKNOKARPCIHILX-IBGZPJMESA-N 427.815 4.556 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862618063 OIKCXCISWOSGDY-VBKZILBWSA-N 427.928 4.597 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)c1 1862699602 WVEUOMBONYKQOF-QMHKHESXSA-N 429.472 4.740 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OCCCC)cc1 1862743772 QZLQWXPSEBEAFP-NRFANRHFSA-N 436.464 4.538 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(F)c1 1862749342 WGJHTCZJGXUATF-MMACOIQUSA-N 438.455 4.891 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862759325 OPFBPVNDRFPIRY-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE N#Cc1c(NC(=O)c2cc(O)c3cc(Br)cc(F)c3n2)sc2c1CCCC2 1866523567 FGWVNVUOBRWUMK-UHFFFAOYSA-N 446.301 4.906 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)nc(CCOC)n1 1869121130 PVBWPLAEFKNLGW-UHFFFAOYSA-N 434.584 4.866 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3cccnc3)C2)nc(-c2ccccc2Cl)n1 1869242893 BIAUPACNDNGEKS-JOCHJYFZSA-N 447.970 4.948 30 10 IJEE C[C@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccc(Cl)cc1 1870232615 BFVNHLVDFYDRDH-INIZCTEOSA-N 440.952 4.625 30 10 IJEE CCCCCCCCn1cc(OCCC)c(=O)cc1CN(CCO)Cc1ccccc1 1870658407 JEDMIMCZJAYDMY-UHFFFAOYSA-N 428.617 4.992 30 10 IJEE C=CCOc1cn(CCCN(C)C)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1870811362 WHKADESJNMHVHA-UHFFFAOYSA-N 431.580 4.952 30 10 IJEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc(F)cc2)cc1=O 1870812428 CSTBHCYIRLLRBD-JOCHJYFZSA-N 428.891 4.551 30 10 IJEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871369960 LSPUODXGXYOACI-UUYOSTAYSA-N 445.427 4.812 30 10 IJEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871400764 KJYLTUVLQMGMNG-QFUZRPNGSA-N 444.867 4.542 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCCN4CCCCC4)c3C)C1=O)cn2C 1871451445 VWMKRTIHDKIFLU-MYYYXRDXSA-N 446.547 4.976 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872106664 LANNQLYIRHKPRD-WMZHIEFXSA-N 428.598 4.869 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)CCCC 1872562206 MCGBYGAYDOTFER-HSZRJFAPSA-N 428.598 4.991 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2cccc(OC)c2)C1=O 1873214957 HJEWHFFHHYRICX-UHFFFAOYSA-N 426.472 4.866 30 10 IJEE CCCCOc1ccc(/C=N/Nc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)cc1 1873525656 PCJIJEZSYIZQSF-ZVHZXABRSA-N 426.904 4.519 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cccc(F)c1 1874401174 IWXXQWQLUFEASF-GDQCRLHRSA-N 440.544 4.743 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2cccs2)cc1C 1874458625 XYKRLCKJQUOMMA-LSFURLLWSA-N 439.488 4.588 30 10 IJEE CCSc1nnc(C(C)C)n1/N=C/c1cc(Br)cc(Br)c1O 1874512674 JWNQMOXWMYZTJG-REZTVBANSA-N 448.184 4.626 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1ccc(C)cc1C 1874529019 OBUGISSPZLICAY-MFKUBSTISA-N 449.580 4.635 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cccc1OC 1874589119 USZAJANRNFKHEQ-MDZDMXLPSA-N 432.900 4.894 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 1875151598 SQSJXILDSRYTHT-NYYWCZLTSA-N 446.455 4.938 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Br)cc3F)cc21 1890518227 WSQZPKDVGMDPEV-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE C#Cc1ccccc1CNC(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1901484043 VDZDNYDDYKQLCG-SANMLTNESA-N 438.527 4.601 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cccc(Br)c3Cl)cc2)OC1(C)C 1912671722 DIGDICRUJJBDLL-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 1965565559 HUSZNJMZEJJMCW-SUMWQHHRSA-N 438.341 4.686 30 10 IJEE CN(C(=O)OC(C)(C)C)C1CCC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 2002567044 ASISDFGQQBFUDU-UHFFFAOYSA-N 436.557 4.996 30 10 IJEE CCCC[C@H](CC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2060632828 GNEHHBPCFICJCT-ZWKOTPCHSA-N 438.418 4.545 30 10 IJEE CN[C@@H](CC#C[Si](C)(C)C)c1cc(Br)ccc1I 2067289343 PEOSVCFESGDHBS-AWEZNQCLSA-N 436.207 4.585 30 10 IJEE Cc1c([C@@H](C#N)N(Cc2cccs2)C(=O)OC(C)(C)C)c(Br)nn1C 2067851919 MIRBBCHKGBGREK-CYBMUJFWSA-N 425.352 4.555 30 10 IJEE CC(C)(C)c1nn(-c2ccc(F)c(C(F)(F)F)n2)c(C(F)(F)F)c1C(=O)NC1CC1 2078840835 JRADBECTTPQFPW-UHFFFAOYSA-N 438.347 4.634 30 10 IJEE N#Cc1[nH]c(=N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)ccc1Br 2087921038 DLMBJTDMPYWPHA-LBPRGKRZSA-N 426.145 4.525 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](Nc2ccc(C#N)c(Br)c2F)C1 2106026928 YYKZGJOZAKMBNZ-CQSZACIVSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2c2ccc(C#N)c(Br)c2F)C1 2174769789 NKXIETCQARYJSG-LSDHHAIUSA-N 438.341 4.686 30 10 IJEE C[C@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)cc2Br)C1 2181140694 DDOGHVWNIQKRCC-RNODOKPDSA-N 436.350 4.733 30 10 IJEE N#Cc1cc(Br)ccc1CN1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186710463 DDXXQXQXCIAAEY-IBGZPJMESA-N 438.291 4.569 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(C)nn(C)c2Br)c1 2197536757 UQIDALAJJUGQLJ-OAHLLOKOSA-N 435.322 4.506 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1(C2(NC(=O)OC(C)(C)C)CC2)CC1 2235727649 PTCOSQTZKJYTLM-SFHVURJKSA-N 433.390 4.616 30 10 IJEE C=C(c1ccccc1)[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237404513 HOKMULQKDHYVPK-VQTJNVASSA-N 432.358 4.959 30 10 IJEE CC1(C)OB(c2c(Cl)cccc2C(=O)N(Cc2ccccc2)CC2CC2)OC1(C)C 2248080625 IQAGYRAXRDJQFH-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE CN(Cc1ccccc1I)c1c(Br)cccc1C#N 2269700004 PVICETSWZPHZRQ-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CC1(C)OB(c2cccc(F)c2CN(Cc2ccccc2)CC2CCOCC2)OC1(C)C 2273789015 UWGANWZDJNTLFE-UHFFFAOYSA-N 439.380 4.554 30 10 IJEE Cc1sc(C)c(CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)c1Br 2280759319 QAPISRCGKKKVFZ-UHFFFAOYSA-N 441.175 4.573 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2288327222 SZOCVXFOSWZRDB-ZHDKGAKHSA-N 434.374 4.635 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)Cc1cccc(NC(=O)OC(C)(C)C)c1 2296215909 FPAQHZWARYDUKQ-LJQANCHMSA-N 429.358 4.978 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@H](N)C#Cc2ccc(Br)cc2)c1 2296304173 DHZPVTROTHJZBK-GOSISDBHSA-N 431.330 4.856 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2296309117 QSROTKREXVVBRH-OALUTQOASA-N 435.406 4.672 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1 2314477471 HNTDVKVWOMIUIB-VWLOTQADSA-N 425.484 4.613 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 2314524345 SGHVDFMXKJBMAX-QHCPKHFHSA-N 436.552 4.507 30 10 IJEE CC(C)=C(CN1CCCN(Cc2ccccc2)CC(F)(F)C1)B1OC(C)(C)C(C)(C)O1 2317852469 UUKKMYCBNOQAKR-UHFFFAOYSA-N 434.380 4.797 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(N(C)C)cc1)C3=O 2322115131 UYXAQWLCCDVVTE-UHFFFAOYSA-N 449.595 4.561 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2CCCOc2cc(C)c(Cl)c(C)c2)cc1 2322286348 PRJRPUCXVWDMER-UHFFFAOYSA-N 430.961 4.739 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(OC)c(Cl)c2)cccc1OC 2322981413 MRANRECUAKZVQJ-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCOc1ccc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1[N+](=O)[O-] 2323874353 NXGYDTMTLHUTSY-UHFFFAOYSA-N 425.470 4.521 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCCO)c(OCC)c2)c(OCC)c1 2324494524 WDPDUTMENUYLNN-UHFFFAOYSA-N 434.916 4.803 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325649552 KFWJDAWXGUQCST-UHFFFAOYSA-N 437.275 4.568 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cc(Cl)ccc1O 2326769083 ZKTSLNMCMKKBEC-UHFFFAOYSA-N 446.960 4.629 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccccc1OCCC 2328401675 NUTVJPFJORTEHH-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCOc1c(C=Nn2c(COc3c(C)cccc3C)nnc2SC)cccc1OC 2328533963 YLBTZUOATISIRX-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc([N+](=O)[O-])c1 2328897857 NXXVSLWSCIHFJS-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE Cn1cccc1C=Nn1c(CC2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1 2330251729 MXBZFQBSUDBNDD-UHFFFAOYSA-N 438.557 4.822 30 10 IJEE CCSc1nnc(C2CCC2)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331506045 LDQGSHLBCIDTIU-UHFFFAOYSA-N 436.537 4.768 30 10 IJEE Cc1c(Sc2cc(I)ccc2Br)ccc(N)c1C#N 2338407204 XYGCSQOITAJIDV-UHFFFAOYSA-N 445.123 4.967 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339586341 DIHOKSFYONDYFI-KOSVWKSTSA-N 443.397 4.974 30 10 IJEE O[C@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)cc1I 2340039179 HICOVQFSAZICTK-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE N[C@H](C#Cc1ccc(Br)cc1)c1ccc(Cl)cc1I 2340066856 VLQGWXHPTNTVLK-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17098072 DZXNRDBBESQKPT-QFIPXVFZSA-N 432.549 4.991 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1 20885725 JGPXRRYISQOZEH-FPOVZHCZSA-N 449.547 4.885 30 10 IJEE COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)ccc1O 21258819 UKABFDOWNQGCQR-ZIAGYGMSSA-N 432.303 4.712 30 10 IJEE C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 22644606 FUVJJOHBYFKRJB-MRXNPFEDSA-N 430.529 4.888 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)NC[C@H]2CCCO2)cc1 22691373 NKPZXZQKCBZUAR-LJQANCHMSA-O 447.571 4.863 30 10 IJEE C=CCN(Cc1csc(COc2cccc(C)c2)n1)S(=O)(=O)c1ccc(C)cc1 36115334 GLHDLJVJMMAYNX-UHFFFAOYSA-N 428.579 4.716 30 10 IJEE CCCCCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)cc1Cl 38615946 BFBDFZLSXPDEFA-UHFFFAOYSA-N 437.323 4.768 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)c1 45890007 COAIIQCYLJWFHQ-UHFFFAOYSA-N 425.271 4.827 30 10 IJEE CN(/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1 59165754 ZKXXFVFJGFBNMD-LVWGJNHUSA-N 434.337 4.879 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3ccccc3n2Cc2ccccc2C#N)C1 95085437 SCBWAHPWOFMJIP-LJQANCHMSA-N 446.551 4.982 30 10 IJEE Cc1ccc(NC(=O)c2sc3nc(C)n(Cc4cccc(C#N)c4)c(=O)c3c2C)c(C)c1 96522993 NSTOEUDFMLGIRI-UHFFFAOYSA-N 442.544 4.864 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1nnc(C)s1 101131346 YZBWZJDDAVHSIU-VVKTXGKCSA-N 441.494 4.639 30 10 IJEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2cc3ccccc3o2)[C@@H]1c1ccc(C(C)(C)C)cc1 102515484 YISNYMCMCVRRRH-FEYWKWKCSA-N 446.547 4.714 30 10 IJEE CC(C)COc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 169903133 QOYBBKNVTVLCQZ-ZVBGSRNCSA-N 435.760 4.994 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(OC(C)C)cc2)cc1 169977876 JEXQHRBLWRRMBC-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1 170009428 KFWKGJJPHKILJV-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)c1 170044004 JBVBTPVNHNCHHR-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(CC(=O)O)cc3)[C@H]2c2ccccc2)c1 170052990 LPBNTUNATAUHKB-DEOSSOPVSA-N 441.483 4.713 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)c1 170058259 YBSUPVDOWZDDNX-WIYYLYMNSA-N 425.912 4.714 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170058301 CDYCGGPONGDWTA-MJGOQNOKSA-N 432.303 4.751 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2C)cc1 170087752 XXYGQHNMGQDDRO-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2sccc2C)cc1 170107284 UIIMARNPOZEOMX-FQEVSTJZSA-N 426.582 4.539 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1OC 170131969 MMOKJSONNCUNDP-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccc(O)cc1 170132121 IFMQHBZBVCBQLB-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)cc1C 170176356 NMNFAEQMQODYMO-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c1 170230940 NDWYFYKGTSGZEG-QHCPKHFHSA-N 428.488 4.647 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(O)c1)c1cc2ccccc2o1 170258825 FPFBNRSIXXGAMT-QFIPXVFZSA-N 427.412 4.627 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)c(F)c4)[C@H]3c3ccco3)ccc2O1 170282120 NAWHXXXXXVYKFL-GTJPDFRWSA-N 437.398 4.664 30 10 IJEE COc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC 170436373 SVFLMKVPMDFQEL-QFIPXVFZSA-N 439.508 4.536 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 427701756 NALJDFGEHNGQFQ-QGZVFWFLSA-N 436.899 4.581 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(-c3ccccn3)c2)cc1 439311647 ACCIIOGCLVEUNF-UHFFFAOYSA-N 426.520 4.885 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCc1nc(C(C)(C)c2ccc(Br)cc2)no1 445394118 SSUQCYBWDGZJKS-UHFFFAOYSA-N 441.329 4.532 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2ccc(C)cc2)n1)c1nc(C(=O)OCC)cs1 501951470 VWVQTINQVADTCJ-UHFFFAOYSA-N 427.551 4.513 30 10 IJEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 504262926 AQIKCVBWFOJFRC-UHFFFAOYSA-N 437.477 4.655 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 508884598 ISRSOCAFHJHPQK-QFIPXVFZSA-N 429.499 4.705 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])o2)cc1 526484881 BOAFKDUURTVNNM-QFIPXVFZSA-N 445.431 4.905 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@]2(CCCOC2)C1 549685188 FXDGRUQLHKZMRF-VWLOTQADSA-N 440.588 4.714 30 10 IJEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 549697823 UHHKGLPSJHDOHN-LJQANCHMSA-N 429.446 4.513 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 571108048 ICLURLFRRIWOMQ-IBGZPJMESA-N 431.378 4.679 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)c(OC)c1 586226743 JLMZMTZMZFUXDN-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CC(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 607718059 YSMWDZRCFAAOJQ-GOSISDBHSA-N 444.425 4.694 30 10 IJEE C=CCn1c(SCC(=O)N(C)c2ccc(C#N)cc2F)nnc1-c1ccc(Cl)cc1 609217394 FAWKFLFFXKXOJP-UHFFFAOYSA-N 441.919 4.550 30 10 IJEE COc1ccc(CN(C(=O)NCc2ccc(C#N)cc2F)C2CCCCC2)cc1OC 611285268 PKUCJJBLCLMKDC-UHFFFAOYSA-N 425.504 4.759 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ncc(Br)cc1Br 698960953 BJWRXPYVCSTENB-LBPRGKRZSA-N 433.144 4.818 30 10 IJEE C=CCC1([C@H](N)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 722916630 GXJHVPKEEPFNLQ-MRXNPFEDSA-N 429.786 4.786 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)c2)s1 740037042 ARBDLNNJXZPFTE-GOSISDBHSA-N 434.540 4.752 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(CC2CC2)C(=O)N[C@@H]1c1ncc(C(F)(F)F)s1 788475273 DSTRHIKRNYEEBA-KRWDZBQOSA-N 435.471 4.947 30 10 IJEE C#C[C@@H](NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl)C(C)(C)C 813774676 JSJGETFQSZKNMT-GFCCVEGCSA-N 433.808 4.957 30 10 IJEE C[C@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 1115895329 FWNKERYPTVXLDX-ZDUSSCGKSA-N 447.516 4.825 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(C)C)on1)c1ccc2c(c1)OCCO2 1124367866 JGHXODXVMMBTTJ-UHFFFAOYSA-N 434.492 4.981 30 10 IJEE COc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1125464790 AHQFFPVLXGOICB-YCRPNKLZSA-N 443.906 4.686 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(C)c(I)c2)cc1 1128193036 CQXKCUDFWCUEIA-UHFFFAOYSA-N 449.288 4.861 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1133391357 HKXZSIKKUYLYOD-UHFFFAOYSA-N 444.597 4.551 30 10 IJEE C#CCN(C(=O)c1cnn(Cc2ccccc2)c1Br)[C@H]1CCCc2ccccc21 1134316305 NYPLITDZDRBGJK-QFIPXVFZSA-N 448.364 4.847 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(CC)cnc1O)c1ccc2c(c1)OCCO2 1144704464 KSSAJGOMVGNJFN-UHFFFAOYSA-N 446.503 4.533 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Br)ccc1Cl 1155584571 BYSGWZSWZNSWHG-MRXNPFEDSA-N 445.785 4.968 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(OC)c(OC)cc2s1 1160458450 MYXWFEKUJIFXFR-CYBMUJFWSA-N 435.546 4.502 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C(C)(C)C)Cc4ccccc43)ccc2c1=O 1171497884 CGGXIGAZFIKAPF-SFHVURJKSA-N 433.577 4.736 30 10 IJEE CC[C@H](CN(C)S(=O)(=O)c1ccc(C#N)cc1C)Oc1ccc(Cl)c(Cl)c1 1189298328 ICNUHUXJMCUGMV-OAHLLOKOSA-N 427.353 4.652 30 10 IJEE Cc1cc(Oc2ccc(CNc3[nH]nc(N4CCOCC4)c3C#N)c(Cl)c2)ccc1F 1203618510 AWEFDYMKNBACOI-UHFFFAOYSA-N 441.894 4.623 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCOC[C@@H]3c3ccc(Br)cc3)cc2n1 1209589514 BCJVZQXBRIXQOR-HXUWFJFHSA-N 441.329 4.590 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc1 1225646432 GXIMRRQTNRYVFV-DEOSSOPVSA-N 443.547 4.886 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1)c1ccccc1 1230626104 YBNMYMCIRWUTOP-IRLDBZIGSA-N 431.374 4.749 30 10 IJEE C#CCN(C(=O)NCCCc1ccsc1)[C@H]1CCOc2ccc(Br)cc21 1256435534 GYYXSPNDVFDSHG-SFHVURJKSA-N 433.371 4.612 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cn(-c4ccccc4)nc3-c3ccccc3)n2CC)C1 1256679321 BBNJWKDDTFHOLE-QFIPXVFZSA-N 440.551 4.599 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1sc2c(c1C#N)CCCCCC2)C[C@@H]1CCCO1 1264695335 FQZRDLZZXLFSEP-INIZCTEOSA-N 447.601 4.633 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(C)cc2OCC2CC2)CCCN1C(=O)OC(C)(C)C 1265882926 SNVAIMDKJHEXKA-RUZDIDTESA-N 428.573 4.746 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(-c2ccsc2)nc1 1286301839 PKEQWEOVFDHNCN-IBGZPJMESA-N 443.576 4.795 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCC(F)(F)C1 1286453932 XJRKKVITRREOAZ-IBGZPJMESA-N 446.542 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1cc(F)ccc1SC 1286524924 LSJCCQPNSRVDGW-JOCHJYFZSA-N 441.601 4.535 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(CCC)CCc1cccs1 1286537386 AMIUQIOKYJMLTJ-MRXNPFEDSA-N 439.423 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1=CCCCC1 1286584024 VSYZLKIIWKXUKM-UHFFFAOYSA-N 448.659 4.546 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC2(CCCCC2)C1 1286591183 CIYINSNFHQWVRC-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1286672607 GGXNLIMRUXSBBV-NRFANRHFSA-N 425.596 4.675 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286695641 YWTVGWYXCJFGCC-QFIPXVFZSA-N 430.600 4.810 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286701917 BWZUCCCNVRDRAX-NRFANRHFSA-N 437.632 4.521 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1 1286741355 KSTYTFBMLOOVDF-HSZRJFAPSA-N 444.608 4.614 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1Cc1nc(C(C)C)cs1 1286744829 NCFCLMPJCVTUSD-SFHVURJKSA-N 441.576 4.742 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCC[C@@H]1CC 1286749234 NTZOLUSJGZNESA-RTWAWAEBSA-N 443.661 4.691 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2CC(C)(C)C2)C1 1286801830 IVJQCZPPVOWWGX-LJQANCHMSA-N 445.405 4.925 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc2ccccc2o1 1286833406 BTLIJMYCNIIDRD-UHFFFAOYSA-N 439.610 4.936 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21)N(C)C 1287321320 FGCHLYGSLIYXNM-RBZQAINGSA-N 434.632 4.952 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1291913819 ZWMPVWQXDRZZFV-MCIONIFRSA-N 446.432 4.825 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)CN[C@@H](c3ccccc3)C(F)(F)F)cc2)nc1 1292265715 FLXBVYXNOMAAMY-NRFANRHFSA-N 426.398 4.577 30 10 IJEE C=CCC1(C(=O)N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)CCC1 1292741234 BBBVYIDLWNAVSQ-UHFFFAOYSA-N 431.296 4.863 30 10 IJEE COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)C2 1299488220 FLLXPAVNLHBCPM-UHFFFAOYSA-N 442.515 4.959 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1oc2ccc(F)cc2c1C 1300330161 VXOIGWMEQXNYHF-QXATTWAWSA-N 438.547 4.897 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cscc1C(F)(F)F 1300455941 QTBGCIUVZHPJBH-UHFFFAOYSA-N 443.454 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@H](SC)C(C)(C)C 1300816518 OHUGBIAJPPNBDL-HYBUGGRVSA-N 442.629 4.636 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1300830936 OCSRVUFQQQAGTP-COXVUDFISA-N 437.357 4.738 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CCCc1ccccn1 1300879345 CPRDTBLLCBTMAQ-WMZHIEFXSA-N 435.547 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1Cc1ccc(I)cc1 1300899608 HFFCMPAKFXFCQR-HNNXBMFYSA-N 438.357 4.847 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCO[C@@H](C)C2)CC1 1301075683 NZOABOYJVPGECH-HOTGVXAUSA-N 449.368 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCc1cccs1 1301150270 QAZIFBIIGOKXRJ-UHFFFAOYSA-N 448.596 4.937 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(F)(F)CC1)c1ccccc1 1301167909 HSVWTHYBIPXMIY-ACRUOGEOSA-N 446.542 4.598 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301225341 CGSXJWYTLYDROI-OAQYLSRUSA-N 440.485 4.504 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301246913 YRGZYTBQORILAI-FGZHOGPDSA-N 438.616 4.698 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)OC)C1CC1 1301331065 DRTYEIFNTGFRNW-UHFFFAOYSA-N 425.360 4.744 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCCn1nc(C)cc1C 1301339855 UMWGJGXFBHTFOS-UHFFFAOYSA-N 445.615 4.835 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccsc1)N(C)C 1301365806 ZUJANNHEPMYUID-VQTJNVASSA-N 443.642 4.748 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC=CO2)C1 1301537557 BVMIOZFVESTJEZ-FDFHNCONSA-N 438.572 4.509 30 10 IJEE C#CCN(C(=O)CCC(=O)c1ccc2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656017 OSVCRZFREYNJMY-UHFFFAOYSA-N 448.563 4.664 30 10 IJEE CCN1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C[C@@H]1C 1307516240 FFGYNCJIUTZVGM-FHWLQOOXSA-N 444.689 4.904 30 10 IJEE C=CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)c1nc(-c2ccccc2)cs1 1351450339 FDHBPIZFQKGKAO-UHFFFAOYSA-N 431.477 4.737 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)c1 1352621316 RGTVYZJVSMOVMU-UHFFFAOYSA-N 434.421 4.885 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1 1355655696 DYFJZJHNPGNQNU-UHFFFAOYSA-N 426.398 4.693 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 1358007746 XXSZAUVFDZRLEY-ATIYNZHBSA-N 434.536 4.831 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[C@H]21 1358907860 DIMBIJCITAJILE-SJLPKXTDSA-N 429.362 4.508 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1cccnc1 1358973315 NQCNYLCVFAZCRF-UHFFFAOYSA-N 441.535 4.523 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCc1csc(C)n1 1359015671 AXAQDMWNOBVUDX-UHFFFAOYSA-N 435.528 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1359071786 CUIMBFSVJUAKRY-KWTBFXGESA-N 433.644 4.680 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)c1nccs1 1359130766 VQFATPBXIGKMGX-INIZCTEOSA-N 431.993 4.888 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359156782 PRKGARNKLBBPIE-OIISXLGYSA-N 438.016 4.674 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1359207277 FXFYBYSRBMNKLS-HXUWFJFHSA-N 449.521 4.831 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359208090 FPVCYGASMBWPNA-AZUAARDMSA-N 435.538 4.859 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCSC1 1359256414 FDBJDWPCFPZFFF-VXKWHMMOSA-N 437.613 4.727 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 1359929434 GFJCZLHLWMSZGG-UHFFFAOYSA-N 431.654 4.830 30 10 IJEE C#CC(C)(C)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1360170227 GJAXKLNOROTAIT-MSUUIHNZSA-N 426.516 4.880 30 10 IJEE Cc1nc(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@H](C)CC#N)sc1C 1360902212 DECUAQLGEURUSJ-UONOGXRCSA-N 440.642 4.991 30 10 IJEE Cc1cc(F)cc(-n2cc(C(=O)N[C@@H](c3ccccc3C(F)(F)F)C(F)(F)F)nn2)c1 1435862675 COICFWYGVZNLAA-INIZCTEOSA-N 446.326 4.767 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1c(F)cc(C(=O)OC)cc1F 1439467554 CQPJKGAAKSGZPD-UHFFFAOYSA-N 430.325 4.692 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 1442655069 CILQYGINMXKONR-IBGZPJMESA-N 438.572 4.723 30 10 IJEE C#C[C@@H](C)N(C)C(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1448668364 IFYCUBHKAWUQLG-UXHICEINSA-N 430.548 4.518 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)cc1C#N 1458153757 CGQSYNKIKIPHCG-UHFFFAOYSA-N 427.766 4.931 30 10 IJEE N#Cc1cc(F)c(N[C@H](CCO)c2ccccc2Br)cc1Br 1458308644 BTEQXMYNNZKIRC-OAHLLOKOSA-N 428.099 4.758 30 10 IJEE CN(Cc1cc(Br)ccc1Cl)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1458926171 BSSSQXHCQHPXEA-IBGZPJMESA-N 432.749 4.602 30 10 IJEE CCCCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C1CC(C)(C)NC(C)(C)C1 1460537403 ASWJKTXEHSZXBE-UHFFFAOYSA-N 426.649 4.961 30 10 IJEE C#CCC1(NCC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CCCCC1 1460827774 JLWHDMWSSCSRLK-NRFANRHFSA-N 431.580 4.774 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NCc3cccc(OCc4ccccc4F)c3)C2=O)cc1 1461429432 GZDNQINBNSHFPK-VWLOTQADSA-N 429.495 4.562 30 10 IJEE O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1466845430 ABTGKXVUAICJOW-WMZOPIPTSA-N 435.339 4.759 30 10 IJEE Cc1cc(Oc2cc(Cl)ccc2CN(CCC#N)CCN2CCOCC2)ccc1F 1474308155 FSWUAOQWYAVGPY-UHFFFAOYSA-N 431.939 4.628 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1F 1477344939 DGZAOOPIAWXSMR-FCHUYYIVSA-N 436.918 4.775 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 1478895635 GEWCDAJQIGLOPQ-SJORKVTESA-N 431.241 4.719 30 10 IJEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)c1cccs1 1503542931 HMCLROCNSYYROZ-HXUWFJFHSA-N 435.597 4.861 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@](C)(C#N)C1 1507557996 VBWGXBLYASHLQT-NBGIEHNGSA-N 435.572 4.750 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1507583992 ZMRZHCIQQPIICK-LADGPHEKSA-N 442.611 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1C 1507803556 HSLRQUVZHKLYPY-BKSPAHHJSA-N 431.584 4.751 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1507810183 KTDLGXZAURWXCG-BKULYWANSA-N 440.588 4.536 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H]2CCO[C@H](C)C2)CC1 1507879306 DSIWYXHHEYNQGL-AABGKKOBSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)COc2ccccc2OC)CC1 1507896614 IIPPEFCDZLYWSR-SFHVURJKSA-N 436.556 4.973 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1507900132 HAVKNXXWGJOCBB-CPJSRVTESA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2nc(C)cs2)CC1 1507909470 GTBSZIBQZHQHQN-INIZCTEOSA-N 441.576 4.967 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1507952401 SJWDMHDMJBXQQK-SFHVURJKSA-N 439.585 4.733 30 10 IJEE C=CCCOCCn1c(N(C)Cc2ccc(Br)s2)nnc1C(C)(C)C 1507966535 TWLNTUXMTGPWJT-UHFFFAOYSA-N 427.412 4.629 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](C)C1)C(C)C 1508013778 QXKKRRCXGYSEBU-DNVJHFABSA-N 429.653 4.845 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1cccs1 1508039589 ZLQZUGBPLQBBKN-UHFFFAOYSA-N 431.993 4.672 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3c3cccc(C(F)(F)F)c3)CC2=O)cc1 1518466988 CESSGIKDKFGLDW-GHTZIAJQSA-N 441.453 4.684 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)cc1 1523487036 WMCPTSKFZOJNBD-UHFFFAOYSA-N 448.519 4.901 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1533311615 AUEITOGSGNIUKD-OAHLLOKOSA-N 425.579 4.722 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)cc2)cc1 1535625758 DZXHBRMFXMGPMG-GRGXKFILSA-N 441.487 4.994 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc3c(cc2Br)CCC3)CCCN1C(=O)OC(C)(C)C 1538483672 YFDFUNNIYGVYLO-QFIPXVFZSA-N 447.373 4.669 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)C2(C)CC2)nnc1-c1ccc(Cl)cc1Cl 1538885743 UDCYEUBNSLCAAZ-LBPRGKRZSA-N 425.385 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCN1CC 1538976149 JIXROIWLDPJWPZ-HYBUGGRVSA-N 444.627 4.685 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1539318819 YTZWKFXXTFAHLL-PMACEKPBSA-N 448.464 4.604 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)CC=C 1539377122 FHQDRPZMHMEJDU-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@H](C)C1CCC1 1539643488 WNJRDOFTKLGJJA-FPGHNAPASA-N 442.579 4.992 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1539758641 QAKVQQHMEZWFFW-UHFFFAOYSA-N 434.584 4.838 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1539841806 LGEAFMHMXPGOQX-UHFFFAOYSA-N 443.473 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@]1(OCC)CCOC1 1539931222 IPAWSBAHTJUIFO-RPBOFIJWSA-N 428.621 4.859 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1C1CCCCC1 1540087091 NPFNYUZWEUCMKX-HSZRJFAPSA-N 437.632 4.893 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)C 1540118840 BOFUTUXWEQPZTP-UHFFFAOYSA-N 442.361 4.813 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 1540349097 OKYVBQVRFUKDHG-NRFANRHFSA-N 448.485 4.846 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1 1540480371 VLVAQYJCQAQBMP-UHFFFAOYSA-N 435.501 4.537 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCc2csc(C(C)C)n2)C1 1540888211 LUIMCDPQJSPFHY-SFHVURJKSA-N 441.576 4.688 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C#N)CC1 1540910656 LIXWCMSQNOFSTL-UHFFFAOYSA-N 427.643 4.935 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1540912095 MQHCGTIAGUPYGL-PMACEKPBSA-N 430.593 4.787 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)CCCCCO[C@H]3CCC[C@H](C)C3)c2C#N)C1 1540918654 RZBFJWNHOZEMMM-WMZOPIPTSA-N 431.602 4.619 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCC1 1541107212 GVMVCWUJNIJUCD-MRXNPFEDSA-N 435.403 4.724 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(N2CCCCCC2)nc1 1541169965 FXHSZIHQBHHIHM-UHFFFAOYSA-N 449.647 4.820 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCc1cc(Br)ccc1F 1541805011 HYDVNQASJBQUAH-AWEZNQCLSA-N 436.373 4.749 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)c1cc(Cl)ccc1-n1cncn1 1544686019 DCNUVBSTCXMYMM-UHFFFAOYSA-N 430.851 4.942 30 10 IJEE CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC(F)(F)F 1546615049 CPIMBGVFOFWLAJ-PXNSSMCTSA-N 448.537 4.716 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](CO)c2ccc(Cl)cc2)cc1OC 1560577774 ODEBHDMJHQVMPA-INIZCTEOSA-N 440.765 4.542 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1562252138 UYGYKKJHRMRXEZ-GOSISDBHSA-N 436.434 4.798 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(C(=O)NCCCN(CC)CC)c(Cl)c2)CCCCC1 1562489236 ZTRZNJQQFBHWGU-UHFFFAOYSA-N 447.023 4.649 30 10 IJEE C#CC[C@@H](NC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccccc1 1564385310 NFZQFQSVXFZEAW-JOCHJYFZSA-N 433.552 4.938 30 10 IJEE C#Cc1cccc(CNC(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)c1 1564924010 ACJUJWROWYTQLV-JOCHJYFZSA-N 433.552 4.614 30 10 IJEE C[C@H](NC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1567480399 GVKFPQRYOGXKRA-GKVSMKOHSA-N 437.515 4.752 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)[C@H]1CCCO1 1567814357 HIXTWFINVUUGHH-RBUKOAKNSA-N 430.367 4.652 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)c(OC)c1 1587438136 LILMGZJZQTYVHO-QFIPXVFZSA-N 429.944 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1587586488 OEQQXMSYICCPTJ-MRXNPFEDSA-N 435.528 4.700 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1588117756 PNJIPLMQEOBILS-OALUTQOASA-N 437.469 4.860 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(CCCCC)nc1C 1588289025 UWLSTBXZYDSUSQ-UHFFFAOYSA-N 442.970 4.941 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCOCC 1589171361 CBTIUWVOBYCFAV-MHECFPHRSA-N 426.630 4.940 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1ccco1 1589427461 MDIIZLOYINDYFW-QGZVFWFLSA-N 431.309 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@H](C)CNC(=O)OC(C)(C)C 1589669485 WTKREWPHHWKPQM-GOSISDBHSA-N 445.583 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1589688050 ZGEQRADIXDKIPN-GGAORHGYSA-N 439.648 4.997 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1593666752 VHTCPXYVWDZZQM-HSZRJFAPSA-N 437.632 4.690 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN1CC 1595076156 VMXGWAJIEIJXDY-QFIPXVFZSA-N 439.648 4.942 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1CC1(N(C)C)CCC1 1595162152 XSWIANNHAVCHMU-UHFFFAOYSA-N 435.641 4.916 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1595243915 KGYGCTKTMNBLGI-UHFFFAOYSA-N 433.556 4.592 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 1597391485 RQRJUBXDNYRIOX-MRXNPFEDSA-N 445.441 4.869 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Cl)c(I)c1 1598279421 DPCHMVHJOZYYEE-UHFFFAOYSA-N 443.668 4.770 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)n1 1612192996 DIKORPKYAZUBFW-IFMALSPDSA-N 436.604 4.620 30 10 IJEE C=C[C@@H](CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1618253499 OJFAWQVSSMNZAM-CVDCTZTESA-N 437.584 4.795 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Oc3ccc(NC(=O)OC(C)(C)C)cc3)n[nH]2)c1C 1620425178 MRJMQLXKHYTNHY-UHFFFAOYSA-N 437.500 4.642 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2CCCC(C)(C)C2)cc1OCC 1620916599 YDHRXTWSWZUENA-UHFFFAOYSA-N 425.411 4.624 30 10 IJEE C=CC1(CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1623692435 KGNWQTDUIRFUCY-UHFFFAOYSA-N 426.601 4.979 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)cc1 1623891141 JTBATEUOLNZGQN-RXVVDRJESA-N 428.330 4.673 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 1625508791 XMTJLRZPOJIQRI-GOSISDBHSA-N 426.582 4.549 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccccc2-n2ccnc2C)s1 1626540872 HGDIHAVTJWCSDU-UHFFFAOYSA-N 433.002 4.649 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)CCC(=O)Nc3c(F)cccc3F)cc2)c1 1626783325 FLOMUEVKVFWUNG-UHFFFAOYSA-N 435.430 4.773 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 1632714866 GDIVYLGGRRWNKP-UGSOOPFHSA-N 425.356 4.746 30 10 IJEE C#CCC[C@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 1635011883 NABZXUSGEKCPHR-VZWFDDOASA-N 430.935 4.879 30 10 IJEE N#Cc1ccc(CN(Cc2cc(Cl)ccc2[N+](=O)[O-])c2ccc3nc(O)[nH]c3c2)cc1 1642113888 UMUHSZHOZLYHCF-UHFFFAOYSA-N 433.855 4.909 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1642299689 CIWQJRDDSHZDLH-MRXNPFEDSA-N 448.995 4.508 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 1642540312 JIBPHIIWTMNFOR-XMMPIXPASA-N 434.580 4.940 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)[C@@H]1C 1645789272 NNSPATQVYPZJGG-BMGDILEWSA-N 443.371 4.664 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)[C@H](C)C#N 1646525631 UIHQAXWMOKGHSN-HOYKHHGWSA-N 431.536 4.620 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)C(C)(C)C 1648370744 XXOSPHLHGJGFQZ-OAQYLSRUSA-N 442.485 4.521 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1648409448 JKPDNHYPNGDMLN-OAQYLSRUSA-N 426.582 4.929 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)CN2CCC[C@H](C)C2)cc1OCC 1648914008 MKWDSTYKKVYGBE-DLBZAZTESA-N 425.411 4.623 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Br)c1F 1650764980 MUKZHWYAMQZWKR-KGLIPLIRSA-N 426.330 4.955 30 10 IJEE C=CCOc1ccc(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1OC 1657312398 JKBDQESXBUKLRM-SFHVURJKSA-N 435.351 4.852 30 10 IJEE COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(C#N)cc2Cl)CC1 1658457924 DIZYCRNTEYRXAE-IBGZPJMESA-N 438.742 4.555 30 10 IJEE C#CC1CCN(C(=O)Nc2nc3c(Br)cc(OC(F)(F)F)cc3s2)CC1 1660103739 RIRLXADKHJDZDD-UHFFFAOYSA-N 448.264 4.835 30 10 IJEE C=CCOc1cccc(NS(=O)(=O)c2cc(Br)ccc2OCCC)c1 1663041060 RRVRGJVJQXZXBM-UHFFFAOYSA-N 426.332 4.604 30 10 IJEE C#CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl 1669108643 VUUFBDVRLLGAFX-UHFFFAOYSA-N 433.154 4.580 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 1671672965 GXRYHAIQJASYPL-GOTSBHOMSA-N 449.551 4.881 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 1672390847 BZJDBINKXTYWKF-AZUAARDMSA-N 439.487 4.862 30 10 IJEE C=CCOc1cccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 1673782300 HRZHILYWLYATHN-IRXDYDNUSA-N 443.466 4.561 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c(Cl)c1 1674763921 IKYMCPDARVKLMS-QGZVFWFLSA-N 436.726 4.945 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1676182342 NTMRAEYXNKEEOS-HUUCEWRRSA-N 427.998 4.602 30 10 IJEE CC(C)(C)c1ccc(C(C)(C)CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1679706941 HRVZDRQULLNTPZ-UHFFFAOYSA-N 436.575 4.804 30 10 IJEE C#CC[C@H](NC(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1680515829 TWXIWBFVWURVHR-SQJMNOBHSA-N 425.573 4.716 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1 1681067550 WXVMQBIGHYSAKB-RTWAWAEBSA-N 429.561 4.646 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCC[C@@H](COC)C1 1689919686 WTQGFWLAOYFEOV-OAQYLSRUSA-N 448.567 4.783 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)c1nccs1 1690089489 CCJYVPLWFALPHB-YLJYHZDGSA-N 439.560 4.559 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCC(F)(F)C2)CC1 1690119535 IQZGNLPYFYQKOC-SFHVURJKSA-N 447.961 4.569 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690239557 YFWCIFJMYWKYGC-KPFFTGBYSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1cccc(O)c1 1690242867 DMMUYRMDHOTPNZ-XQFWAAQXSA-N 433.556 4.533 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](CC)C1 1690330202 CSEYLIJQEONUPF-QGZVFWFLSA-N 429.977 4.745 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCCN2CCCC2)CC1 1690412417 PPDMMWPGTSZMME-UHFFFAOYSA-N 425.596 4.677 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C(F)(F)F)C1CC1 1690548703 LLTLRUJKSUZWEL-UHFFFAOYSA-N 433.503 4.856 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@@H](C)C1 1690556097 MSFRZMFGPCTNHP-OFNKIYASSA-N 431.584 4.901 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccn(Cc2ccccc2)n1 1690603620 FZKRLPPSFGUGPA-UHFFFAOYSA-N 444.583 4.697 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1690736665 LQNFCMJYNKKGCK-NHCUHLMSSA-N 437.613 4.520 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](OC)C(C)(C)C)C1CCCC1 1695567000 BACHVOVKFGZDOI-NRFANRHFSA-N 425.577 4.559 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC2(CCC)CCC2)c1 1705506871 LBKVMCKTEHMQFB-QFIPXVFZSA-N 449.599 4.546 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](c1cccnc1)C(C)C 1705603977 BVMBKLZYFBJPNC-FPOVZHCZSA-N 435.547 4.852 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2C)C1 1705687493 FMXOXRXAZWPLBX-SFHVURJKSA-N 433.394 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNC(=O)C(C)C 1705711787 DSBBTHMAVASYQZ-UHFFFAOYSA-N 438.403 4.817 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705786452 OJCDPHDMIRQLPY-UHFFFAOYSA-N 442.007 4.696 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC2(CCC2)C[C@@H]1CC)c1ccccc1 1705795127 CWMWOSLCGUDGKJ-VXKWHMMOSA-N 435.616 4.935 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1705806067 WEALHUSTOOABQV-UHFFFAOYSA-N 429.584 4.697 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1ccncc1)C1CC1 1705858004 DXSNAOIMDTXCRB-UHFFFAOYSA-N 431.584 4.947 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1708590553 AFMCLZPYGVXPKR-KRWDZBQOSA-N 438.963 4.817 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1722304488 YGVQNZQWVQNYKV-GOSISDBHSA-N 430.980 4.708 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722308351 LHKTZGRJUKUJNP-ZRBLBEILSA-N 436.600 4.701 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1722525366 DLAKEKDZKBHOHA-MRXNPFEDSA-N 448.518 4.699 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2ccco2)CC1 1722562551 CWMQOXRUZLQPAW-UHFFFAOYSA-N 429.318 4.514 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722620945 KRVHAZLASNOMBE-FQEVSTJZSA-N 448.615 4.848 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1nccc(C(F)(F)F)n1 1722634273 BTAIJGMAWSZDMZ-UHFFFAOYSA-N 444.505 4.916 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[C@H]2CC)C1 1722714291 KDEZTBZHSSGAGY-SVFBPWRDSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(N2CCC(C)(C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722739708 LDAMNFAACKCTIE-HDICACEKSA-N 449.665 4.594 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1722740369 OJTYFONZMRZDAM-UHFFFAOYSA-N 445.677 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](c1ccco1)N(CC)CC 1740543413 OUICQOSEXMKGDO-UGKGYDQZSA-N 442.567 4.627 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC[C@H]1OC 1740663471 JWVGMWQCTUQOPT-XUZZJYLKSA-N 431.584 4.627 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC2(CCCCC2)O1 1740682665 FMPIFZNMZCWRNQ-IBGZPJMESA-N 442.991 4.566 30 10 IJEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(C)Cc1ccc(Cl)s1 1740719341 KPLLWWVTCYFKRJ-UHFFFAOYSA-N 447.029 4.595 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740816290 ASTFVVHMGKASPE-DRSNIGMVSA-N 425.017 4.591 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(I)cc2)CC1 1740818822 VWCPCMXRXDBVRP-HNNXBMFYSA-N 436.341 4.601 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)Sc2ccccc2)CC1 1740835542 GSNOLRBOBFTZLA-NTKDMRAZSA-N 442.629 4.513 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740859949 TXPRSAWBROZBIJ-UHFFFAOYSA-N 448.493 4.699 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1740914622 WCRMXMHQHADPRM-HSZRJFAPSA-N 434.632 4.760 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1N(C)CCCC1(C)C 1740923795 VYOGZHJCGSURIS-TZIWHRDSSA-N 443.661 4.547 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 1740997370 ZCNJXRKNPXLYGF-PXNSSMCTSA-N 448.608 4.728 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1741000374 PLFSDIPDKFJDKD-UHFFFAOYSA-N 442.592 4.733 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCc1cccs1 1741962475 FDQLAPKRORKEAS-MRXNPFEDSA-N 425.533 4.601 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)C1 1744229702 DEWGELXVZDNPIF-HSZRJFAPSA-N 436.947 4.571 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 1748718137 PDPOPVGTNUXFCU-UHFFFAOYSA-N 433.644 4.773 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1748935970 IETIIKSJDAGBOY-UHFFFAOYSA-N 431.625 4.554 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1ccc(Cl)cc1 1749132035 XJYBFEMOTGBGEB-HJNYFJLDSA-N 445.007 4.833 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749305640 ZQAGKGJRTDWJII-OYRHEFFESA-N 425.596 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749358534 BJZLRSIXNGJMDE-SFHVURJKSA-N 441.595 4.818 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](CC)C1 1749368250 GDMFJWBQSZRDEC-FXAWDEMLSA-N 428.602 4.725 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1ccc(C)cc1 1749466845 AJECPUNQEKUGLT-INIZCTEOSA-N 428.378 4.780 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1749510128 AEOZOXLHWRLBFU-MHECFPHRSA-N 438.576 4.519 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC[C@H]1CCCCO1)C1CC1 1749511588 XXNCHUZQYJQANE-OAHLLOKOSA-N 437.407 4.883 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(C)(F)F)c2)C1 1749717674 OJIMUAULTQEZMN-HXUWFJFHSA-N 444.551 4.872 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCCCCC2)C1 1749749283 JEOMIMKSAPZTPS-UHFFFAOYSA-N 437.613 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1ccc(F)cc1 1760296782 WLAFLZYUYNHEFY-XMMPIXPASA-N 437.588 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)C1CC1 1760330324 YTDHGVADEFQESV-SANMLTNESA-N 433.600 4.916 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760359268 DCOKPQWJXVZUEY-UGKGYDQZSA-N 449.426 4.676 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1C 1760361140 TYFNGWFDEUWCDW-FGZHOGPDSA-N 426.605 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760408642 DLKABRKMFYYXFA-TZIWHRDSSA-N 435.616 4.560 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@H](F)C1 1760497810 SKAPIVOGGCLGNW-QRVBRYPASA-N 433.572 4.667 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1760973567 AWRGFWWMSGDXEG-JLMWRMLUSA-N 429.996 4.712 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(SC)CC1 1772516178 WQKNZHFNFMIDCS-UHFFFAOYSA-N 436.625 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1CCO[C@@H](C)C1 1772522784 MVVDIFYCJRWQGT-YGKZAACZSA-N 430.955 4.935 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)Cc2ccc(Br)s2)cc1 1858874476 HWVNQLNGUHKYQX-UHFFFAOYSA-N 449.370 4.542 30 10 IJEE CCOC(=O)c1ccc(CSc2nc(O)c(C#N)c(-c3cccc(Cl)c3)n2)cc1 1860466117 HBUZYBAMIDKRRC-UHFFFAOYSA-N 425.897 4.843 30 10 IJEE C/C(=N\O)c1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 1860471529 YMLBJXWVRWPPGD-UPMNJHNBSA-N 433.464 4.794 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2Cl)cc1 1862392238 SHVRGQLEKORKPG-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Br)cc1 1862512255 QZGIPQZVZZHJGR-SFHVURJKSA-N 432.289 4.885 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862557149 JGMDOMIXUXTDRE-MWTRTKDXSA-N 428.488 4.617 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862594350 COPSECAHNRORRQ-HSZRJFAPSA-N 434.536 4.759 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1Cl 1862760030 DUOYJPCWYLGCMX-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)c1 1862798658 KVXONTJHDDQCTE-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)cc1CSCC 1870203435 ORDQOCYQCQWLOH-UHFFFAOYSA-N 427.353 4.612 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C)c(F)c1 1870884409 CSPSNUAOYBIZNK-UHFFFAOYSA-N 438.499 4.560 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c1 1871391443 WUNNOLVKCNBSJF-HMAPJEAMSA-N 443.455 4.931 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871428560 JAHZKRSLKZXBJP-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O)Nc1ccccc1 1871459773 CIPRSLGZMGGTCW-MTJSOVHGSA-N 437.398 4.922 30 10 IJEE C=CCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871659027 GGXGTOPQSHXKAI-PMACEKPBSA-N 428.584 4.708 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871908969 PQDXFLGXZBDEES-QFIPXVFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1872090554 RCBJNULJQXXCFH-DEOSSOPVSA-N 434.561 4.806 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)CCCC 1872218079 BSFSLDJNCBNOKV-HXUWFJFHSA-N 440.675 4.662 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872245917 AXIITSRRYBOJOE-YWZLYKJASA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(C)(=O)=O 1872290179 HZAMERVPYQMNJY-QHCPKHFHSA-N 428.598 4.612 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)c1cccs1 1872562849 ZOKSIRAJYZEHNV-QFIPXVFZSA-N 440.590 4.922 30 10 IJEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872776099 IFLOCAUXKSBTLL-FOIQADDNSA-N 443.528 4.794 30 10 IJEE COc1cc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1Cl 1872783394 YVBBIKPCTSDIGR-AWEZNQCLSA-N 443.868 4.879 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N(CCO)CCCC)ncnc2n1CCC 1873571773 CVDJRVLXWAWMCE-UHFFFAOYSA-N 431.625 4.530 30 10 IJEE CCCCCCCCCCNC(=O)CCCc1nnc2ccc(-n3nc(C)cc3C)nn12 1873936623 KYIKSHLBSBXBTL-UHFFFAOYSA-N 439.608 4.506 30 10 IJEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccncc1 1874198568 ICYFAHNZYXSXKP-NLRVBDNBSA-N 429.549 4.998 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCCOc3ccc(OC)cc3)nnc2SC)cc1 1874220794 FBZAREWUVWULSW-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccc(C)cc3C)nnc2SCC)cc1OC 1874326851 JJPOJYPPOPHFDN-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c(OC)c1 1874330185 NJNWPCXWEVWXCW-AFUMVMLFSA-N 436.581 4.945 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccco2)cc1 1874426466 JZRNJJWRMGHORB-BUVRLJJBSA-N 431.521 4.714 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(O)c1 1874439129 LMYCVGCWVPFXJQ-LPYMAVHISA-N 425.514 4.655 30 10 IJEE CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874441928 NELJTPAMDNLYAV-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE CCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)c1 1874442623 HHQSMZDLCGLZIZ-LSCMLXDISA-N 426.517 4.842 30 10 IJEE COCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cccc(Br)c1 1874498081 QFRBEMVRKIBVHU-SRZZPIQSSA-N 431.359 4.670 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OCC(=O)OC 1874623231 RZEWMBUUMRBPQU-VAWYXSNFSA-N 435.432 4.595 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCSC 1874660821 RNBNNRLHCXXJJL-JOCHJYFZSA-N 431.646 4.815 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc1OC(=O)[C@@H]1CCCO1 1874714573 CRYGNMCBDWNJGO-IEJURRBGSA-N 430.884 4.646 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 1875175349 KSDZOGHUIJTNHE-VQHVLOKHSA-N 432.476 4.534 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCOCC1)n2Cc1ccccc1 1875216323 GOGKWERXJRQEQK-UHFFFAOYSA-N 449.599 4.724 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)[C@@H]1C(F)(F)F 1903081018 FHTQZHISPPXISL-LIRRHRJNSA-N 435.487 4.858 30 10 IJEE N#Cc1ccc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 1952235514 FHZVYJPSEJUPQV-XMMPIXPASA-N 441.487 4.788 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1984779748 XLOPWFMZISXXHR-KYTVRQNUSA-N 444.575 4.954 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 2008463820 FWYIJXSNMAMCIO-CKJXQJPGSA-N 434.541 4.606 30 10 IJEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034818123 JIQHOZUMPFTKBF-QFIPXVFZSA-N 426.564 4.519 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)[C@@]2(CCOC2)C1 2038667471 XVOHWEPQDQKVMW-UIOOFZCWSA-N 433.552 4.755 30 10 IJEE O=C1[C@H](c2ccccc2)SC(=NS(=O)(=O)c2ccc(Cl)cc2)N1c1ccccc1 2040469504 ADOPIQMSCCFUHR-IBGZPJMESA-N 442.949 4.906 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(CC1(C)CC1)NC1CC1)Cc1ccccc1 2086593145 KBYPKQIPSDIHGQ-NDEPHWFRSA-N 430.640 4.825 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNc2ccc(C#N)c(Br)c2F)C1 2105993886 ANABYYGAZGVXFD-GOSISDBHSA-N 430.293 4.611 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CO[C@@H](C(F)(F)F)C1 2129096040 HUOZKSYFALMYRG-CZUORRHYSA-N 435.240 4.804 30 10 IJEE CC(C)Cn1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)nn1 2149352363 BVFSAUDCRUJJRC-QGZVFWFLSA-N 434.338 4.703 30 10 IJEE CN(Cc1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)o1)C(=O)OC(C)(C)C 2181145550 HXRZCILCVOQLQV-UHFFFAOYSA-N 434.290 4.533 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCNCCC1(F)F 2196986185 CPKZXBGFJKZHKI-GOSISDBHSA-N 444.320 4.862 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2235727364 QILGIWMQYLXTKU-GOEBONIOSA-N 449.311 4.577 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 2253868182 HMNWXHUHNMWHGD-HOIFWPIMSA-N 448.568 4.996 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)N(CCc2ccccc2)Cc2ccccc2)OC1(C)C 2267277649 RUWRUUHRYKHZAF-UHFFFAOYSA-N 447.409 4.932 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)c1 2267840406 BTEBQXUOQSVDDN-UHFFFAOYSA-N 439.365 4.527 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1csc(NC(=O)OC(C)(C)C)n1 2278724564 DVTQLEJSGXKSLN-HNNXBMFYSA-N 436.375 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@@H](N)CC#CC1CCCC1 2289848432 VLZJVWQSEVUNNS-PMACEKPBSA-N 435.406 4.796 30 10 IJEE CCN[C@H](C#Cc1cccnc1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2295832261 BWZNYXUZIHAHBU-GOSISDBHSA-N 430.346 4.893 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1cc(C)ccc1I 2296291272 MPJMQYYSRDWXTN-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE CN(Cc1ccc([C@@H](N)C#Cc2ccc(Br)cc2)cc1)C(=O)OC(C)(C)C 2296298195 HVMKBSXHTNBJKA-FQEVSTJZSA-N 429.358 4.868 30 10 IJEE CCCCCCCCOc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1OC 2296882294 NBOTZDIQEWRAIS-UHFFFAOYSA-N 437.583 4.720 30 10 IJEE CC1(C)OB([C@@H]2CCN(Cc3cccc(Br)c3Br)C2)OC1(C)C 2303099571 PHSZHKDTFYGIBK-CYBMUJFWSA-N 445.004 4.880 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Cl)cc(Br)c1F 2315462694 JDAXGXXUGLLMRQ-HOCLYGCPSA-N 433.749 4.809 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2ccccc2CC)cc1 2321239295 RXBQJERFDZAHHX-UHFFFAOYSA-N 437.569 4.632 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1ccc(F)cc1 2321915030 IRXZQGZZGIMQOB-UHFFFAOYSA-N 440.422 4.585 30 10 IJEE Sc1nnc(CCOc2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 2322024069 WSWIYOYJILSXPI-UHFFFAOYSA-N 430.533 4.650 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCN(C)C)C4)cc1 2322035049 NMIZZRNCSCZFEM-UHFFFAOYSA-N 449.595 4.561 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 2322416036 ZWRXTEOIWZGMPA-UHFFFAOYSA-N 441.462 4.979 30 10 IJEE COc1ccc(-c2cc(O)nc(NN=Cc3ccc(OC(=O)c4cccs4)cc3)n2)cc1 2323260716 SLZKNUDMHIAGAQ-UHFFFAOYSA-N 446.488 4.585 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1Cl 2323652914 QYLJURGZNFUGGK-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)c1OC 2323680010 XXFOTWVUEBPKKY-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE COC(=O)c1ccc(COc2c(OC)cc(C=CC(=O)c3ccc(C)cc3)cc2OC)o1 2323896655 FYXGXWPNYQIJGZ-UHFFFAOYSA-N 436.460 4.867 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O)C(=O)Nc1ccc(F)cc1 2324305833 QGEQCNNZOKNZLA-INIZCTEOSA-N 446.478 4.914 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 2324407108 JPMIKTWZZKRAMH-LJQANCHMSA-N 432.501 4.803 30 10 IJEE Cc1cc(OCC(=O)Nc2nc3ccccc3s2)cc2c1C(=O)C(=Cc1ccco1)O2 2325590052 MEZJMWLDTURTGC-UHFFFAOYSA-N 432.457 4.831 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)C(C)C 2325721941 MYXLVMAHYKYGKO-UHFFFAOYSA-N 448.269 4.823 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1ccc(OC)c(O)c1Cl 2326592289 YRUMBRBGGUYCCL-UHFFFAOYSA-N 430.961 4.999 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccccc1[N+](=O)[O-] 2328559360 AAGLJRDWJBVVQT-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE Cc1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccc3c(c2)OCCO3)cc1 2331167836 CQELWQIDJOXSLV-UHFFFAOYSA-N 432.505 4.792 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331245393 GPOCZQLVSDCILT-IBGZPJMESA-N 436.247 4.882 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2)o1 2331392292 NONXRFMOEKFZQC-UHFFFAOYSA-N 430.505 4.659 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CC2)cc1 2331723969 ZCVGJJIJOQRLNY-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE COC(C)(C)C#C[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338366675 DKMUBZNLWSMBRO-SQHAQQRYSA-N 445.559 4.634 30 10 IJEE C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2339601572 ZYSCUJHIOQISQM-MJGOQNOKSA-N 444.381 4.893 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)Cc2csc(C)c2Br)C1 2343701459 MRQQYDUNGFFKSL-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE C#CCCN(Cc1ccc(I)c(Br)c1)C1CCCC1 2349824329 LDAMZRPNFLNDRV-UHFFFAOYSA-N 432.143 4.822 30 10 IJEE CC1(C)[C@@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CCN1Cc1ccccc1 2364928386 SVXWOJQWJACIJM-JOCHJYFZSA-N 445.416 4.570 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)c2C#N)C1 1937580 BLCOOCMWEJCZMD-CQSZACIVSA-N 441.512 4.797 30 10 IJEE CCc1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccccc2C)cc1 11166503 CYBJXZCCLMCIEX-UHFFFAOYSA-O 433.553 4.667 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3cccc([N+](=O)[O-])c3C)cc(C)c2c1 12241392 VDACUNFVFYKGCH-UHFFFAOYSA-N 440.463 4.686 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccccc2C)cc1 23429392 KPZXTABQXMCNCD-UHFFFAOYSA-N 429.520 4.839 30 10 IJEE COc1ccc(OC)c(/C=C2\S/C(=N/c3nnc(C)s3)N(c3ccccc3)C2=O)c1 39866398 SIHBBKLSECLMIB-NOQVSKCTSA-N 438.534 4.672 30 10 IJEE C=CCc1ccccc1OCCCn1c(CCNC(=O)c2ccccn2)nc2ccccc21 40184659 SUBOFYZXCDASHA-UHFFFAOYSA-N 440.547 4.601 30 10 IJEE COc1cccc(-c2c(C#N)c(SCC(=O)c3ccc(C)cc3)nc3c2CN(C)CC3)c1 40569981 CIRMWTGLUIWTLY-UHFFFAOYSA-N 443.572 4.900 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1C 102736660 GPIRFCWEXVACIT-GOBJLOIFSA-N 438.867 4.580 30 10 IJEE CCCN1C(=S)N[C@@H](c2cc(Cl)c(OC)c(Cl)c2OC)C2=C1CCCC2=O 169929816 HUSXTVLFKKYTCB-INIZCTEOSA-N 429.369 4.659 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2OC)c(C)c1 169939916 UFFUNFNGUZLJBY-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COC(=O)c1sc(N/N=C\c2ccc(OC)c(Br)c2)nc1-c1ccccc1 169940438 GKGDTPXXBOBUCI-NHDPSOOVSA-N 446.326 4.814 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169960226 HHSDSIFWPXSMME-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccc(C)c2)cc1 169969026 OHZCDDMIRNMQBA-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970893 WFBYBGPOXNAYRD-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@H]1c1cccnc1 170005883 HBACRYQXBSHVGR-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2cccnc2)c1 170014277 LJBHEMBDTBTZFB-QFIPXVFZSA-N 438.487 4.666 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC)cc1 170033092 WRZSADFBJCFINU-JOCHJYFZSA-N 441.499 4.538 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2F)s1 170071581 CTWRSQAMIXXPEM-IBGZPJMESA-N 433.464 4.554 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3cc(C)ccc3[nH]2)[C@@H]1c1ccco1 170098552 KCQCPOZZRJGMPK-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)c1 170139009 KUZIHUMMILDWAU-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(OCC)c1 170218014 WOMGRRRXXHDXGY-IBGZPJMESA-N 444.325 4.836 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1)c1c[nH]c2ccccc12 170296611 NMFYXWADGVZPST-JOCHJYFZSA-N 430.435 4.721 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(C)o2)cc1 170300706 PAHPCYVCHMFCBG-NRFANRHFSA-N 432.432 4.842 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 170328845 IYSYWXXKADSJEH-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC(C)OC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)c1 170372829 KEIHMHMLROGUPR-NRFANRHFSA-N 431.444 4.628 30 10 IJEE O=C1N/C(=N\N=Cc2ccc(Cl)cc2)S[C@H]1Cc1ccc(SC(F)F)cc1 245265015 FPPYOTMLMPYRQM-HNNXBMFYSA-N 425.913 4.819 30 10 IJEE CCCCOc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(Cl)c1 438601224 APQORKPARDXGLD-UHFFFAOYSA-N 427.932 4.906 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(CCCOCC(F)(F)F)CC1 475545265 BAALYLMOPJUBDH-UHFFFAOYSA-N 427.511 4.657 30 10 IJEE CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 504250615 HKTULEWBJCOSRZ-UHFFFAOYSA-N 432.867 4.836 30 10 IJEE CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1 512822073 DZXOKTFBLJXNKB-HNNXBMFYSA-N 449.482 4.517 30 10 IJEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526813667 AYKLMCHXPHCWPR-ZBKNUEDVSA-N 438.296 4.682 30 10 IJEE N#C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(OC(F)(F)F)cc1 531115608 FXMFZPISIKVWSF-SFHVURJKSA-N 433.411 4.615 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 549637908 DODLLXBRXKZKEZ-NHCUHLMSSA-N 440.588 4.570 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)N(CC#N)c2cc(OC)c(OC)c(OC)c2)cc1 586236642 RCYJSJDAQGGGHF-UHFFFAOYSA-N 446.569 4.554 30 10 IJEE N#C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)CCN1C1CC1 732696727 NCKJMUJGIUPOPF-KRWDZBQOSA-N 430.936 4.834 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)c1 733804137 YGMCHQWPGBZITK-BEFAXECRSA-N 430.346 4.560 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(CC2CC2)C(=O)N[C@@H]1c1cnc(-c2ccccn2)s1 753386832 FKLLBQKQPLPSGW-JOCHJYFZSA-N 444.560 4.990 30 10 IJEE O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 790804960 IBTBMTMSBJKERT-GOSISDBHSA-N 447.457 4.657 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC 803519291 CXGCCYXZTMHLMP-DENIHFKCSA-N 432.593 4.759 30 10 IJEE C#CC[C@]1(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1127570782 ZCWSZHCJCIENTH-SQJMNOBHSA-N 426.532 4.671 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 1135836245 HUCNZVYVODPLRB-LJQANCHMSA-N 432.749 4.541 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](CCC)C1 1137818883 ASTNIFZCILLHGB-DHIUTWEWSA-N 443.632 4.749 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CCCCC1 1140820747 FOKLMKQZBXQTML-UHFFFAOYSA-N 434.508 4.774 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(Nc2cnccn2)c1 1162667642 GICMWBZNUVTLRR-HNNXBMFYSA-N 425.414 4.793 30 10 IJEE C=CCn1c(SCC(=O)N(CC)CC(=C)C)nc2cc(-c3ccccc3)sc2c1=O 1165302699 AWIZUPYEWSELSR-UHFFFAOYSA-N 439.606 4.828 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1190707163 FLOQDXJGGZNRGI-UHFFFAOYSA-N 430.527 4.774 30 10 IJEE C=C(C)[C@H](NCC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1 1193574083 DFFHDPGUNUQXKK-RBZFPXEDSA-N 428.401 4.948 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)c1 1198965405 FCHIFYRIKQNFHM-OAQYLSRUSA-N 431.330 4.529 30 10 IJEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1199252347 IAAWSFWBIDEXCM-UHFFFAOYSA-N 439.516 4.513 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C)N2CCC(C)CC2)cc1OCC 1199851669 SROMOCQFWLHRRW-KRWDZBQOSA-N 425.411 4.623 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 1213548768 NNTNTMUCYKYRRJ-MRXNPFEDSA-N 428.432 4.990 30 10 IJEE C=CCCC1(CNC(=O)NC2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)CCCC1 1221683126 BZIVVYQUINPPIX-QHCPKHFHSA-N 425.617 4.997 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccc1 1254755583 RVIHUINEQDQWPO-SXOMAYOGSA-N 446.639 4.686 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(Cn2cncn2)CC1 1286316375 IBQPWOQFBQRONO-UHFFFAOYSA-N 445.615 4.554 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286324329 MGTLNHYCYDRZTA-UHFFFAOYSA-N 439.629 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)c1cccs1 1286437235 CTNDMGQPRVBJHH-QMHKHESXSA-N 440.638 4.560 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@@H](O)C1 1286450586 DYVADBCEKMUUBX-QKNQBKEWSA-N 445.007 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)CC 1286516628 IBZVOIRZWYUWAK-DNQXCXABSA-N 438.572 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCn1cc(C)cn1 1286520556 OQRVWOSUEDMARH-AREMUKBSSA-N 446.599 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286523278 SMFNQGDMNYJLJU-MPCDZSKCSA-N 443.636 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCO1 1286529033 QZYNNJJHLOAXJY-XMSQKQJNSA-N 431.005 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](CC)C1 1286552787 SHTAQKZJUPKUOU-FIKGOQFSSA-N 430.980 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCc1coc(-c2ccc(C)cc2)n1 1286579915 WEXGLUJCVQVTDR-UHFFFAOYSA-N 442.567 4.872 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1286603635 VQRPZRZEDJRCNG-GOTSBHOMSA-N 438.616 4.743 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2Cc2ccccc2)nnc1[C@@]1(OCC)CCOC1 1286677079 XNZJULMRDYZZDN-ATIYNZHBSA-N 438.616 4.744 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(N3CCCC3=O)CC2)nnc1C(C)(C)C)c1ccccc1 1286681815 UJZMOJPGKSIFEA-NRFANRHFSA-N 435.616 4.527 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1286694961 KYDJYVXGZBHELS-LJQANCHMSA-N 443.345 4.845 30 10 IJEE C=CCN(c1nnc(CCCc2ccccc2)n1CC(F)(F)Br)C1CC1 1286737539 QYGFUBYPLRRYLU-UHFFFAOYSA-N 425.321 4.596 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCc1sccc1C 1286742484 ZXAZVZOCLACSBO-OAQYLSRUSA-N 433.581 4.807 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CCCC(F)(F)F 1286746862 GPYHFUHQGDBLKJ-QGZVFWFLSA-N 426.458 4.846 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCSC2)C1 1286801619 DXKHIUIIUSJEJO-RXVVDRJESA-N 426.630 4.777 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286833305 ZCXQEVTULSCQRG-UHFFFAOYSA-N 441.645 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N(CC)CC)nc1 1300280886 GLWVEZOSAOXFIL-HXUWFJFHSA-N 444.627 4.990 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC2CCCC2)CC1 1300376985 PYJJWSWNAUPNLI-DHIUTWEWSA-N 442.648 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300872283 APLDHIHNKQQBFG-ZRBLBEILSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@](C)(O)c1ccco1 1300924878 ISGCKHLAFYXCHW-HSZRJFAPSA-N 426.586 4.782 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N(CC)CC)CC1 1301106429 UKGYPBOEOVUXMH-RTBURBONSA-N 429.584 4.690 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1301120511 ULHLQSIZCLFBML-QPPBQGQZSA-N 437.632 4.833 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@](C)(O)[C@H](C)CC)CC1 1301134752 OCKWHHAKQNSKSG-NLFFAJNJSA-N 426.605 4.673 30 10 IJEE C=CCN(c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](CC(C)C)N(C)C)C1CC1 1301317668 YKNCNTGPWODCKR-OAQYLSRUSA-N 432.616 4.933 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CCN1CCC[C@@H]1C 1301354996 NAWHZCVBNWBETP-FQEVSTJZSA-N 425.596 4.827 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1c(CC)nn(C)c1OC 1301374543 AXTANDJOQPUETD-UHFFFAOYSA-N 448.615 4.774 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1310760344 KXEGBGSSJIJFQE-UHFFFAOYSA-N 427.476 4.849 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 1310921556 RUXUCWRRHSKUHW-LJQANCHMSA-N 439.409 4.784 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 1312862414 LAJAZIQPGBSLHS-UHFFFAOYSA-N 442.494 4.719 30 10 IJEE CN(CC(F)(F)F)c1nnc(-c2cccc(OC(F)F)c2)n1CC1CC(F)(F)C1 1314716684 FCHCUSGVXWMZBP-UHFFFAOYSA-N 426.336 4.590 30 10 IJEE C#CCO[C@@H](C)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 1349638087 PXFDYZRPTCUGNP-JTQLQIEISA-N 436.377 4.748 30 10 IJEE C#CCSCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1351846976 BVNOKXCDYOSMHK-CQSZACIVSA-N 441.405 4.995 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C)c1ccccc1 1357221014 VVCCJUZLABGKCW-GBXCKJPGSA-N 440.609 4.995 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1ccc(Oc2cccnc2)c(F)c1 1358994069 DBTQLBHJGHCJQB-UHFFFAOYSA-N 445.542 4.704 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCC[C@@H]1CC 1359014206 AOEJMDUOEGVBQO-NRFANRHFSA-N 425.646 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](CCC)OC 1359066428 AKUKZMSLFULRHB-WVMBUTMQSA-N 426.630 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1359066620 HTSLHBQYBKEYBO-BCQCSXDESA-N 433.644 4.868 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCSC1 1359066993 XCBOGKPGWZMJBN-HRAATJIYSA-N 445.430 4.843 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@@H](COC)C1 1359143549 FGMWOIDZRCHUHF-OAHLLOKOSA-N 439.785 4.713 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1359161307 YMMBHMVGKMYQMD-MSOLQXFVSA-N 432.515 4.908 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCN(C)C2CCCCC2)CC1 1359168641 CXAABTIPQMWXTE-UHFFFAOYSA-N 441.595 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359186736 QXXRZDVMLOPHNB-JOCHJYFZSA-N 449.599 4.690 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)C2CC2)CC1)c1ccccc1 1359194416 VBUKDVMIBDJBKR-NZQKXSOJSA-N 435.616 4.600 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1Cc1ncnn1C(C)(C)C 1359196675 ORVOCEFOVUXTTF-UHFFFAOYSA-N 425.556 4.662 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359200995 YWYGWNIBTRIFAF-MBSDFSHPSA-N 430.980 4.729 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1359210713 FANFQKMVZPKIPI-FQEVSTJZSA-N 431.544 4.673 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(OCc2ccccc2F)CC1 1359213992 OKWKFZCTMDOFSS-UHFFFAOYSA-N 435.547 4.939 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1359214051 QFKMKHWRMPVCBO-JOCHJYFZSA-N 430.600 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1359262759 CZRYKTOSJWBIHX-GOSISDBHSA-N 443.617 4.809 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1359267057 TYFQIDNJMIWZSI-BKMJKUGQSA-N 449.599 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N1CCCC1 1359268858 FWZMKWUBUUQQOX-JOCHJYFZSA-N 444.608 4.894 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](CC)C1 1359338746 GFVCGIKYIDZXEY-ZDUSSCGKSA-N 427.437 4.925 30 10 IJEE N#CCc1cccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c1 1436621044 GREBITKJCICHQZ-UHFFFAOYSA-N 429.705 4.666 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)c(OCC)c(OC)c1)c1ccc(Cl)cc1F 1436651542 AEQOTWJQXSCYQE-MRXNPFEDSA-N 440.696 4.753 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H](c3cc(-c4ccccc4)[nH]n3)C2)c(OC)c1 1438938344 XDXAKDZTBDDTNW-NRFANRHFSA-N 431.536 4.599 30 10 IJEE C=CCCCN(CC)C(=O)c1csc(I)c1Br 1439894134 JQZHTQOILZCTRN-UHFFFAOYSA-N 428.133 4.544 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1458333014 IJSGEZYZKJMADJ-DEOSSOPVSA-N 447.526 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 1460045509 FNBXAXMMFQQTMU-SIKLNZKXSA-N 447.023 4.559 30 10 IJEE COc1ccc(-c2nc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)cs2)cc1OC 1463086001 BDBRSAIYUUUWPM-UHFFFAOYSA-N 433.533 4.719 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCc2nc(C(C)(C)C)ncc2C1 1466817018 SZPHNZBSUCTNCN-UHFFFAOYSA-N 445.361 4.692 30 10 IJEE C#C[C@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1468173405 OGNSOMNSAHDCJQ-RPLLCQBOSA-N 432.564 4.858 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1468500744 LASLVUMXYOEWPS-OAQYLSRUSA-N 438.591 4.817 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1469877032 KWDFETBWSVRKEL-UHFFFAOYSA-N 449.938 4.610 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 1470075035 RRUBPUGUNQPNEM-KXBFYZLASA-N 437.540 4.678 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 1470489663 PDWXVCUXAGDGDS-ILBGXUMGSA-N 444.579 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1472800024 GKMWIURTOOCDRJ-TZIWHRDSSA-N 442.604 4.539 30 10 IJEE C=CCSc1ccccc1NC(=O)COc1cccc(F)c1I 1473009582 OAZZJKWKOHKLJY-UHFFFAOYSA-N 443.281 4.726 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)c1 1476033026 RNNBNSSBKAGZNH-UHFFFAOYSA-N 448.336 4.503 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)C1 1479407575 MMFPHBLYLXJKAH-ZJCBTPCYSA-N 427.589 4.609 30 10 IJEE C[C@H]1CCCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(CCC#N)CC2CC2)C1 1493695886 HCHQSKFPFNUVGD-RBUKOAKNSA-N 441.023 4.849 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cc(C)oc1C 1496073148 CQSGNHQFWDYINZ-GKVSMKOHSA-N 435.572 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)c1ccccn1 1507513556 AJUSJVUKFBHWPG-ROUUACIJSA-N 437.975 4.902 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1507560941 PETIIDCVHSSNKX-GOTSBHOMSA-N 434.632 4.543 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCC[C@H](COC)C1 1507576012 JBSCVNKZIOZHNR-IBGZPJMESA-N 426.630 4.942 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1507595954 ZTOKPEXNAGLMOT-UGKGYDQZSA-N 447.410 4.853 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CC)CCOCC1 1507682428 OFUWZJLYDVWVRM-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC(C)(C)C1 1507713894 AIAPMQAKURMJFH-UHFFFAOYSA-N 433.021 4.746 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CC(F)C1 1507793310 CYFWPSUUTDUDLW-PVNDBCPPSA-N 436.934 4.903 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1507807272 PIYWFMMCLXGSQM-GCJKJVERSA-N 442.947 4.721 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1507832628 KHLJDNUTDHAQIY-NFBKMPQASA-N 437.613 4.814 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(CCCCCC2)C1 1507958960 FGUOWERAECZYDU-UHFFFAOYSA-N 445.995 4.516 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1 1508025916 QXBJHLJQWZBJHP-NHCUHLMSSA-N 427.637 4.772 30 10 IJEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1cccs1 1508073739 OXSOXFUCRMVCEA-WOJBJXKFSA-N 435.597 4.525 30 10 IJEE Cc1ccc([C@@H](Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)CC#N)N2CCCC2)cc1 1510720273 FMUDMWOTQJYELG-ZJSXRUAMSA-N 434.632 4.895 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(Cl)s1 1517124387 HRCFZMISXZICBF-SFHVURJKSA-N 427.961 4.791 30 10 IJEE C=CCN(C(=O)c1cc(C)c(Br)cc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1522164459 AHSWOTBLJLQIRY-NRFANRHFSA-N 444.369 4.869 30 10 IJEE CC[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cc(F)cc(Br)c1 1523005526 DAAGJVRHUNRXHX-GOSISDBHSA-N 427.277 4.527 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc(CC)oc1C)c1ccc2c(c1)OCCO2 1524358829 UPGBRDZLRZHHMP-UHFFFAOYSA-N 434.492 4.728 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@H]2C)c1 1524420885 MTUUBNKVBLWADP-IEBWSBKVSA-N 447.000 4.887 30 10 IJEE C#C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 1525055187 YJMHBNCFBDPOSU-CQSZACIVSA-N 439.718 4.594 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c(OC)c1 1525648873 IVCMAYIULHZWHG-JOCHJYFZSA-N 435.442 4.969 30 10 IJEE CC(C)(C)n1cc(C#N)c(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)n1 1531917865 GEMGGKGJKMQMNA-UHFFFAOYSA-N 435.553 4.785 30 10 IJEE CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[C@@H](CC#N)c1ccccc1 1533447111 HQAQFIXWFNXAIR-YLJYHZDGSA-N 433.335 4.671 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2ccc(Br)cc2)cc1 1535141853 PBTMSPPBKCUEPK-UHFFFAOYSA-N 427.342 4.835 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 1536694020 DTRLTWPRCVGBIM-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1539147565 IKDJZKHZVGSUER-LPHOPBHVSA-N 449.624 4.734 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCC2(CCCCC2)O1 1539147602 ILIZEFIAXWYSRI-RTBURBONSA-N 426.536 4.509 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(C)s1 1539526884 RDOKYMSUDPTMEI-UHFFFAOYSA-N 447.029 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC(C)(C)[C@@H]1C 1539623186 KQKPKGSCAUSNEG-FTRWYGJKSA-N 448.970 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1539671256 ILJZMMOPSUUFLN-FQEVSTJZSA-N 427.612 4.921 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2csc(CC)n2)CC1 1539856344 YYPFBFAHEMZOEN-UHFFFAOYSA-N 437.613 4.892 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1539909574 NZZZOSSLMKTLNT-UHFFFAOYSA-N 446.603 4.706 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C)CC1 1539998641 MMIYPMVMPZGFLP-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@@H]1C)C1CC1 1540116169 NTSWWOJLMUTMLK-KSFYIVLOSA-N 433.021 4.930 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C 1540136977 OOJZFTKGNBVUIA-PXDATVDWSA-N 442.579 4.793 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC[C@@H]1C 1540155693 ZZBFUPAVZSGPAQ-FHWLQOOXSA-N 430.980 4.923 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1540168683 TXIXZSKYNPAHKW-VXNXHJTFSA-N 436.600 4.827 30 10 IJEE C=CCC1(C(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CCOCC1 1540212916 KBNUXRXNCQXREG-LJQANCHMSA-N 435.490 4.624 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCCC[C@@H](COC)C2)cc1 1540877748 DUSILXGGDBVTJU-JOCHJYFZSA-N 447.583 4.515 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1 1540920279 TWDZVTNUSOELDS-UHFFFAOYSA-N 425.602 4.523 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[C@H](c1nccn1C)C(F)(F)F 1542796928 AOJRUZRCMWMAFE-LJQANCHMSA-N 442.441 4.854 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H](O)c2cccc(Br)c2)cc1F 1544842953 BKUAXPCYJDNKHM-HXUWFJFHSA-N 441.256 4.924 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)cs2)nc2sc3c(c2c1=O)CCCC3 1559330590 HBUPQQMLODCDGS-UHFFFAOYSA-N 432.592 4.663 30 10 IJEE C#CCN(C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1564772729 OJUDRHLSKBGFFZ-GGAORHGYSA-N 439.600 4.889 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(O)ccc1Cl 1565275907 RYZXHAGMVMIOJM-UHFFFAOYSA-N 427.701 4.845 30 10 IJEE CC[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccccn1 1570123796 GDDBIIZKCLZJKC-FQEVSTJZSA-N 430.533 4.565 30 10 IJEE C#CCN(CC)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1583190543 JGOYLHHASUZCJZ-AREMUKBSSA-N 444.575 4.956 30 10 IJEE C=CCC[C@@H](C(=O)Nc1cc(I)cc(C(=O)OC)c1)c1ccccc1 1583913429 JVPRWTQMLCDJAQ-GOSISDBHSA-N 449.288 4.766 30 10 IJEE C#CCCN(CCOC)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CC2 1586966281 YTBWINPJTYLYRF-XUTLUUPISA-N 440.543 4.842 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(C)CCOCC1 1587567370 FJDYUPLEXXAHBE-KRWDZBQOSA-N 435.597 4.652 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]2CCC[C@@H]21 1587711975 JOFROXTXDCVKOB-WMZOPIPTSA-N 430.394 4.619 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]2CCC[C@@H]21 1587798390 JBVJZDIAAIAWOC-HKBOAZHASA-N 441.620 4.923 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(F)(F)CC1 1587878989 MKYLNNFMRNCLBN-UHFFFAOYSA-N 436.934 4.900 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@@H](C)c1nccs1 1589036522 KIUIKSDALYDZGJ-QGZVFWFLSA-N 448.621 4.556 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1c(C)noc1C 1589557852 JJQIONDTRQGCON-WIOPSUGQSA-N 449.599 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)SC 1589657572 GHGUHNWLTAQIPH-MSOLQXFVSA-N 437.654 4.547 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1593711845 JXWGUIUBOGSLKP-NFBKMPQASA-N 437.632 4.508 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@H]1C(=C)C 1594914254 YUOABAPTSOCZFZ-XXBNENTESA-N 434.540 4.721 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1595010113 QZOMQAIFNNUTMV-PNLZDCPESA-N 433.021 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC(C)CC1 1595142854 VEIMPGKVUDYALP-NZQKXSOJSA-N 441.595 4.582 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC=CCC1 1595211617 FPEOBGADUMABBO-HXUWFJFHSA-N 441.620 4.927 30 10 IJEE C#CCC1(NC(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)CCC1 1597108652 FMGSAXOBWGGGJC-UHFFFAOYSA-N 438.593 4.705 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N4CCO[C@@H](C#N)C4)n3CCCC(C)(C)C)cc2C1 1612734768 DQNSXEHMYQVQIV-WMZOPIPTSA-N 427.618 4.686 30 10 IJEE C#CCOCSc1nc2sc3c(c2c(=O)n1CCc1ccc(F)cc1)CC[C@@H](C)C3 1613335509 RBIVKKFNRXVACB-OAHLLOKOSA-N 442.581 4.664 30 10 IJEE C#CCN(C(=O)Nc1cccc(-c2ncco2)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1625260900 ZKZXYXIAXJZHOD-UHFFFAOYSA-N 438.528 4.517 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](c3cccc(Br)c3)N3CCCC3)cc2n1 1626676009 NNVHFNKMTAWXPK-NRFANRHFSA-N 439.357 4.760 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)C 1628845098 VYYLZXCCBBXQHY-RTWAWAEBSA-N 427.639 4.526 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Cl)cc1I 1634791378 YWBASGCMNNXGOC-LRDDRELGSA-N 432.733 4.879 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 1634845583 UOXTUXRJMIVDOZ-MAUKXSAKSA-N 430.442 4.537 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3 1637678511 LXRJBJOWBQYOHY-UHFFFAOYSA-N 440.341 4.735 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)cc1 1639759154 HCPXJVDTJADVSF-UHFFFAOYSA-N 434.323 4.820 30 10 IJEE Cc1cc2c(NC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)n[nH]c2cc1C#N 1639802739 BTHVSODKCJNXTR-FQEVSTJZSA-N 447.539 4.974 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1cccc(OC)c1 1643757347 HRJCNIYEZFUBQG-IBGZPJMESA-N 440.956 4.691 30 10 IJEE C=C(C)CN(CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)Cc1cnn(C(C)C)c1 1645609019 LOJCHJLOALWDIK-QGZVFWFLSA-N 438.494 4.618 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)cc1OC 1648369523 OHLNXKYXWVGQMK-FNORWQNLSA-N 428.891 4.906 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1)c1ccccc1 1649005827 XLKMAHUYAAYZKS-OAQYLSRUSA-N 439.537 4.611 30 10 IJEE C#CCCCCCC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1649167688 GOXQKDXCZYZREF-NRFANRHFSA-N 440.584 4.980 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CCCC3 1656066885 JAKJWYAHTGQCTD-KSSFIOAISA-N 433.643 4.554 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3 1656086383 SBKILCQXKMQKLY-IBGZPJMESA-N 426.607 4.972 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2Cl)nnc1-c1cccc(OC)c1 1656344658 RBPJXCDUMHQJRO-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 1667119705 BTWXNZOFAFAPLE-QFIPXVFZSA-N 434.561 4.969 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccc(Cl)cc1F 1668509319 UNSKHGCYTHZETQ-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCN(c4cccc(F)c4F)CC3)c2)s1 1669370310 GKYWELKOUXRNEL-UHFFFAOYSA-N 438.503 4.597 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1671975056 YUQGOUSIKGQPPC-UHFFFAOYSA-N 425.460 4.732 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)CC1 1672639441 MNCONQFLDONORI-SNRMKQJTSA-N 429.914 4.757 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccc(Br)cc1 1674025649 KAOCFQRSRCMYLM-XLIONFOSSA-N 443.316 4.567 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 1674362537 AXLZOEFJNZOMQE-OXQOHEQNSA-N 448.405 4.944 30 10 IJEE CCC(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)N1CCOCC1 1676856061 AWDIUMVKHASAED-RXFWQSSRSA-N 448.611 4.722 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1683689799 SVUKMOPLPYGATM-RXVVDRJESA-N 442.922 4.539 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1686917651 QYHUOOAILZFWAF-MOPGFXCFSA-N 434.298 4.620 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCc2sccc2[C@H]1CC 1690163570 JTRIDMBDKBIHRU-HXUWFJFHSA-N 438.622 4.895 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cc(OC)ccc1OC(F)F 1690264054 OITNGSAJXZKKNV-IBGZPJMESA-N 436.503 4.580 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCc2ccccc2)CC1 1690297911 LHHUZTULLGQIBA-DHIUTWEWSA-N 438.616 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(=O)OC(C)(C)C)CC1 1690365927 LBGTULKTKHAGPH-UHFFFAOYSA-N 431.968 4.670 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2oc(CCC)nc2C)CC1 1690412475 RYZLFXWNGFJMRR-UHFFFAOYSA-N 441.526 4.847 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1690412926 CMSRSZBXTJLXRG-MRXNPFEDSA-N 425.577 4.979 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@](C)(O)C2CC2)CC1 1690415347 IORMCLHOJIOJNM-AREMUKBSSA-N 438.616 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](COC)C1 1690437564 IFXSKVFEECRUBB-NRFANRHFSA-N 437.588 4.584 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1690467219 PFMXZJBLSWHSBU-NRFANRHFSA-N 449.624 4.928 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CSCCS1 1690515733 SBSJXXJKEFWREX-YOEHRIQHSA-N 425.023 4.542 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cccn(CC)c1=O 1690519297 DXBQMSJRBNQGMQ-UHFFFAOYSA-N 449.555 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@H]1C(=C)C 1690588213 MQMUKTBSPWSRFJ-UWJYYQICSA-N 428.964 4.767 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1cccs1)N(C)C 1690591100 HXCRFXBZVAWHRQ-NRFANRHFSA-N 432.597 4.969 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1C[C@@H]1C 1690604025 MTFVYLWZBPPFTE-VQTJNVASSA-N 433.556 4.631 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(OC)CCCCC2)C1 1690689651 JCCTXTGVOVVDOY-HXUWFJFHSA-N 430.980 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2=CCCCC2)C1 1690692246 UZDYWACLIAJKEA-OAQYLSRUSA-N 438.572 4.634 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)C)C1 1698402162 HOOUSFCCXMVWIU-CTNGQTDRSA-N 440.661 4.515 30 10 IJEE N#CC1CCN(c2nnc(CC3CCCC3)n2CCc2ccccc2OC(F)F)CC1 1698490466 CCKXSPYPCHKLAT-UHFFFAOYSA-N 429.515 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCCN1CCC(C)CC1 1705477661 QWKREMILMZJZFO-RTWAWAEBSA-N 441.595 4.527 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](N2CCCCC2)C1 1705509898 LHCXKKGHMAICIL-RPWUZVMVSA-N 449.643 4.903 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1705525160 ZNXYHPVMXWHDNJ-NYVOZVTQSA-N 440.563 4.755 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1705532771 FLLCOQLGCXKZHF-UHFFFAOYSA-N 428.602 4.725 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](OCCC)CC1 1705695358 ILFJPKDCHPIONB-URVUXULASA-N 428.577 4.613 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705748991 HENACPNLZRULPI-QGZVFWFLSA-N 447.370 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 1705787793 FBNYVNVIYXFCMG-NRFANRHFSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 1705794874 WYKRIWUEPYZVFV-UHFFFAOYSA-N 433.581 4.955 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(C)C)CC1 1705800190 QSDXFOOFZNVSCH-QFIPXVFZSA-N 425.621 4.922 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705800646 FFTQVPBDBUVBDD-UKRRQHHQSA-N 429.874 4.506 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705809490 SPCGOZVEPADMMX-JOCHJYFZSA-N 437.588 4.869 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(=O)CC)C1 1705813380 FOZOUFSCIGVKLO-INIZCTEOSA-N 436.387 4.713 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](OCC)C1 1705827157 WLYGPNXITYHMOC-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](c1cccs1)N(C)C 1705833982 BEWNLEIUBHCAGO-QFBILLFUSA-N 429.565 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1(OCC)CCCC1 1705865092 QTLBHOONVQXBMD-OAQYLSRUSA-N 428.552 4.811 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cc(C)ccc1F 1705890440 QCMCVTQIWKQNLO-UHFFFAOYSA-N 443.567 4.663 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C)CCCC2)cc1 1710533745 FDNPQGJCOWFCLP-OALUTQOASA-N 425.577 4.993 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC(C)C 1722455582 TURMHCXYPWHKOY-UHFFFAOYSA-N 441.826 4.820 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(OC)CCOC1 1722506614 UMAKIYXNIVCBSA-SANMLTNESA-N 449.599 4.561 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1722567041 IUIQPTXSIMGBKO-QPPBQGQZSA-N 438.616 4.875 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1722577742 PETDEFOWRICTJP-QGZVFWFLSA-N 438.469 4.781 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(C)(C)C)C1)c1ccccc1 1722593837 BMMPUZTZLBZXFA-FCHUYYIVSA-N 435.616 4.746 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1722621191 WTUWIKHKKJSWHU-PAZSBGSYSA-N 444.645 4.537 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@H]1C 1722654872 XUCPCHTXPFHJOU-IFMALSPDSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCO[C@H]1C(C)C 1722659995 JMNDBXKSOMSCFF-XPNTWCBSSA-N 442.579 4.565 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccn1 1722661707 PEDXMWFREPWTSQ-UHFFFAOYSA-N 436.972 4.885 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C(C)C)N1CCCC1 1722661850 BRIYDMMIAIERGH-NHCUHLMSSA-N 429.634 4.504 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCC[C@@H]1C 1722662889 PKYACTGPTRHPFB-CPJSRVTESA-N 436.625 4.869 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C2CCCC2)CC1 1722682923 SBNYWMDNMRBYNH-LJQANCHMSA-N 444.023 4.939 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C)C(C)(C)C2)cc1 1722704391 HLJUUJPFLTYYPQ-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)[C@@H]1C 1740568956 WBYJKRGOEGXUIF-AWEZNQCLSA-N 437.407 4.576 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cc(C(CC)CC)no1 1740635012 RVVKCUXWCJMFQD-UHFFFAOYSA-N 438.535 4.506 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H](c1cccs1)N1CCCC1 1740674285 BDBZKKODMJJZRF-JOCHJYFZSA-N 449.624 4.524 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCCCCC[C@H]21 1740721269 DFXRTOQBGUNNRU-FCHUYYIVSA-N 438.641 4.999 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740745847 HWNRSONGXVPGKL-OLZOCXBDSA-N 425.321 4.538 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCc2nc(C(F)(F)F)cs2)CC1 1740840029 RRQTZDUDYXOBSW-UHFFFAOYSA-N 427.540 4.987 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCN2CCCC)CC1 1740841428 XHLNWJOUFNKGTA-QFIPXVFZSA-N 442.677 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccsc2)CC1 1740842957 RTFVSZZRZJABHM-UHFFFAOYSA-N 427.618 4.562 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(CC)C[C@@H]1CCCO1 1740869621 SSFOQTJYQLZPJQ-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H](OC)C(F)(F)F 1740893944 CQJUODXMQURHDC-SUMWQHHRSA-N 428.524 4.721 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H](CC)N1CCCC1 1740914437 FRWJCIJKMBVTOA-QHCPKHFHSA-N 444.583 4.785 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSC(C)C 1740932317 LQPOFPIMRNVDJC-IBGZPJMESA-N 449.665 4.713 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CSCCS1 1740933700 CFVDKWPQRLSYSW-SFHVURJKSA-N 437.034 4.538 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2ccccn2)C1 1740976372 WGDSTJUJIIMYDY-SFHVURJKSA-N 444.366 4.671 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(C)(C)C(C)C)C1 1740984394 BBRZOIXMKARKDJ-JOCHJYFZSA-N 426.605 4.937 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1741297967 GIBMFIIPALOUQG-UHFFFAOYSA-N 443.599 4.611 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1748730334 JYYKPCLNYHJMNR-RTBURBONSA-N 449.368 4.843 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OCC)CCCC1 1748777251 FVUIATTVOZYEPX-UHFFFAOYSA-N 434.540 4.536 30 10 IJEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(Cc1cccs1)C(C)C 1749029749 WHZNWUMOUBCKBK-UHFFFAOYSA-N 440.594 4.517 30 10 IJEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCC(F)(F)CC1 1749035389 BJHAEOUVZZWVPR-HSZRJFAPSA-N 443.542 4.833 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCc1csc(C(C)C)n1 1749072249 JTWJWBBDOOZGLF-RUZDIDTESA-N 433.625 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCCCc1ccccc1 1749130639 NIOSISSNYKEZFM-HJOGWXRNSA-N 438.616 4.612 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1749204469 HHQUQHSXMVIYKW-RTWAWAEBSA-N 441.595 4.663 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1749218674 SHCAMVORUSWOBI-XLIONFOSSA-N 445.405 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)C(C)C)CC1 1749331802 YHTPYKWAFBAGNZ-OAQYLSRUSA-N 433.394 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1749366231 AGRBCOUNRHMDEQ-GOSISDBHSA-N 431.625 4.889 30 10 IJEE C=CC[C@H](Cn1c(N2CCCC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1749385366 QEKPMIMZNDLBKW-ATIYNZHBSA-N 438.616 4.917 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@H]1C(C)C)C1CC1 1749510657 NOLVFTCRTIJHCR-XLIONFOSSA-N 432.515 4.762 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1csc(CC)n1 1749641141 ZWNFYRDNJCRDSH-UHFFFAOYSA-N 425.602 4.996 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCc2csc(-c3ccccc3)n2)C1 1749694328 QXHGAYBYWAVCFD-FQEVSTJZSA-N 437.613 4.723 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CCCCC1 1749741350 YPGSYFYZMAHTQQ-UHFFFAOYSA-N 427.618 4.835 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCOC[C@H]1C 1749745430 ZMOLCKGQYNKGNZ-CQSZACIVSA-N 435.018 4.958 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CC)C1 1749745964 NHYCLVHYAQCFRR-OAHLLOKOSA-N 438.439 4.592 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1749746950 QPSYXBBMNCUVPL-OAQYLSRUSA-N 425.602 4.521 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCC[C@H]1CC 1760101822 VXBBIAXAFRCVCI-LEWJYISDSA-N 430.600 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)N(CC)CC 1760290815 QVPJXYSNDZBUGX-FQRUVTKNSA-N 430.600 4.524 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OCCC)CC1 1760310659 BWMQPEAUKLSXSU-KRWDZBQOSA-N 439.423 4.625 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1760359225 JRJVQDGZLLJNRR-AVRDEDQJSA-N 437.613 4.609 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@@H]2CCCCO2)CC1 1760385054 LXHKEIAURGJNMK-IBGZPJMESA-N 431.378 4.823 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760385535 SOKYJZXKMLQMOP-KKSFZXQISA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(Br)s2)CC1 1760399683 CBISVGMEAUVPAB-UHFFFAOYSA-N 432.391 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760414501 SSGBKUJUMYSKEE-HXUWFJFHSA-N 449.603 4.757 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1)c1ccccc1 1760418531 UHMPATRTWMDFHD-DHIUTWEWSA-N 435.616 4.648 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC=C(C(C)(C)C)CC1 1760448020 VQVZVFCNPMTNTK-UHFFFAOYSA-N 440.588 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](c1ccco1)N(C)C 1760455677 VUMDUBSAXPUOTA-LJQANCHMSA-N 448.596 4.895 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1760483698 YVXOJSSQKVLVRF-XMMPIXPASA-N 426.536 4.851 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2nc(C)c(C)s2)C1 1760538678 FWCMSYJWPNMRJE-LJQANCHMSA-N 444.004 4.696 30 10 IJEE CC(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C 1760874550 GQSURNHNMAKQNK-NTKDMRAZSA-N 444.624 4.615 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(C)CCCS2)cc1C 1761832025 FTDYUEVLXBJDOV-RPWUZVMVSA-N 439.629 4.890 30 10 IJEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)C1 1765381207 FJLNRWAEXDKJML-YADHBBJMSA-N 448.615 4.528 30 10 IJEE CCc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)cc1 1858840087 VQAJRKYSFUWEAS-MRXNPFEDSA-N 429.480 4.566 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)cc1 1860862507 HLAOBFUJTLCYRA-UHFFFAOYSA-N 438.531 4.661 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1 1862390915 OPBLCRNHEPYPTR-QHCPKHFHSA-N 438.543 4.698 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1862432966 QYLBFRVGWDVAIV-IBGZPJMESA-N 433.335 4.523 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862479677 NJCSNJFZGKJSOZ-JTHBVZDNSA-N 435.520 4.541 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1 1862491506 VIAZWQXKXVKWKG-NRFANRHFSA-N 427.928 4.962 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCCO)cc1 1862548260 NKEMMDHMFKFFQA-RUZDIDTESA-N 447.575 4.869 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1c(Cl)cccc1Cl 1862562586 IXXIHQCRQLSTOO-IBGZPJMESA-N 449.334 4.579 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862593905 ZRIPRVJXPRMKDC-QHCPKHFHSA-N 442.515 4.863 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 1862724477 NDDDYCDAXMXQDB-XMMPIXPASA-N 444.506 4.633 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2F)C1=O 1863179678 ATRBFSWFOHQPTN-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863462712 NRVHDAAGYJXVJF-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccc(OC)cc2)C1=O 1863671600 VNGRTEARFSHBEH-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(Cc2ccccn2)C1=O 1863770756 JWHSVVSBQTZOAV-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868286229 CEQKYQIZWMNKCX-OAQYLSRUSA-N 427.552 4.881 30 10 IJEE C=CCOc1cn(Cc2ccccn2)c(CSc2ccc(Br)cc2)cc1=O 1870245835 HCUWQZCUXGODNJ-UHFFFAOYSA-N 443.366 4.911 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(C)cc1C 1870840252 UYESTELQBJFVIU-UHFFFAOYSA-N 426.557 4.766 30 10 IJEE CC(C)OCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1OC(F)F)C3=O 1871346269 VHUPLIFSSKLLTG-MTJSOVHGSA-N 445.462 4.871 30 10 IJEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1O/C(=C\c1ccncc1)C2=O 1871372594 ADWXPBJZTVDDGK-GRSHGNNSSA-N 436.807 4.787 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1O/C(=C\c1sccc1C)C2=O 1871392690 MZSZHWHVRWRFJP-UYRXBGFRSA-N 429.538 4.544 30 10 IJEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871400415 BGIIPGVWEVZMRG-GJUHEBOISA-N 431.282 4.784 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871761964 POUIOZYTCDZQOL-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871896200 HXSNSHLLYQZBRD-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCC)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871897743 AQHBCOIQWBFZNO-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(F)cc1 1871989870 CJZBBBWOMLCAMT-JOCHJYFZSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872242999 FICDZVUBANBOJI-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872292598 XTZPTLGYQAVJIS-GOSISDBHSA-N 434.989 4.859 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)CNC(=O)c3ccccc3)n2)c2ccccc12 1872789029 WUDQJNVPFYIPLS-HXUWFJFHSA-N 441.512 4.578 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422823 QNYAMMQUMONLNK-UHFFFAOYSA-N 440.547 4.538 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCCCOCC)ncnc21 1873604972 CPTAITIJEVWBBY-UHFFFAOYSA-N 427.936 4.670 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Oc3ccccc3)cc1)n2CCOC 1873613091 WVTXOODATJDWJO-UHFFFAOYSA-N 443.507 4.720 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2/N=C/c2ccccc2C)c(C(C)(C)C)c1 1874203451 CIQWTHORYOFXDU-MFKUBSTISA-N 438.597 4.738 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2ccc[nH]2)cc1C 1874357221 WMBZIRGMGYPAPA-AFUMVMLFSA-N 446.536 4.897 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccs1 1874436538 GEYNYDCCNVGPNE-WSDLNYQXSA-N 431.562 4.680 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@@H]1CCCO1 1874443217 WAPNXIUZIYQBHM-RIDKEVFESA-N 432.908 4.802 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(F)cc1 1874475340 VDVSDVHUVDFXBN-ZMOGYAJESA-N 429.496 4.512 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2cccc(Cl)c2)o1 1874513032 CWYJUMHSWUSYQQ-SSDVNMTOSA-N 432.933 4.999 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1 1874578093 VTDWBNIVPNRBGD-SAPNQHFASA-N 445.515 4.685 30 10 IJEE O=C(/C=C/c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1874620763 RJSJWMAPAFHRAI-QPJJXVBHSA-N 435.407 4.980 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)cc3OC)c2)cc1 1874697607 GUSKODCRLVAQFK-VGOFMYFVSA-N 432.472 4.757 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)COC 1875095211 FFWKMNNKAKGEJX-DHZHZOJOSA-N 435.432 4.595 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1cccnc1 1875150274 FCPQGIOPMRFBIG-GQCTYLIASA-N 437.835 4.588 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OC(C)=O 1875185477 FXPCOPCDHUOSSM-AATRIKPKSA-N 425.264 4.841 30 10 IJEE CCN[C@H](C#Cc1cccs1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1900747703 FZJHRPKMVCZPMU-VLCRHTCISA-N 428.598 4.576 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1scc(Br)c1Br 1930758290 AZKIWPKYHIDBDK-JTQLQIEISA-N 434.153 4.708 30 10 IJEE CC(C)CN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 1961710018 HHSIEEOMZRTEHF-UHFFFAOYSA-N 445.210 4.806 30 10 IJEE C#Cc1cccc(N(CC)C(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1 1962739902 VTPJVSONLRZVGE-JOCHJYFZSA-N 436.552 4.521 30 10 IJEE C#CCN(CC1CC1)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1984778776 LOFKRPOGPFWCNC-NIYFSFCBSA-N 444.575 4.812 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)ccc1O[C@H](C)C(=O)N(C)C 2040463955 UHBFMHLHGIIKDX-GOSISDBHSA-N 447.531 4.999 30 10 IJEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCCB1OC(C)(C)C(C)(C)O1)CC2 2044530153 DRQLUHVDXHHMMC-IBGZPJMESA-N 436.446 4.826 30 10 IJEE COc1ccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OC(C)(C)C 2101329136 OPNFJRHXUKGAQG-UHFFFAOYSA-N 444.337 4.547 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1cc(Br)cc(F)c1C#N 2118156083 HCCJXTZTRMQNFO-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@](C#N)(C3CC3)C2)c1 2181044660 IHFOTTUJYNVUTL-HXUWFJFHSA-N 434.334 4.562 30 10 IJEE CCC[C@]1(C(=O)Nc2ccc(C#N)cc2Br)CCCN1C(=O)OC(C)(C)C 2181136629 JJPJLMZXUXVUTD-HXUWFJFHSA-N 436.350 4.829 30 10 IJEE Cc1cnc(NCc2ccccc2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232274081 SKKKRQRTJGCKGQ-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2ccccc2Br)CCC12CCC2 2235739046 FJOORESSGXGABL-HKUYNNGSSA-N 434.374 4.731 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(F)c(F)c(Br)c(F)c1F 2256019824 GHLRKCOZBTUVQN-UOWDBTKRSA-N 428.220 4.508 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCCN(C(=O)OC(C)(C)C)C1(C)C 2261831630 HURBTLQUJIYDHU-VWLOTQADSA-N 447.572 4.799 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268794052 PSRFIARJFTXUGY-KRWDZBQOSA-N 442.365 4.792 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC(F)(F)F)c1 2273011033 DBQBRMHRKKFUJP-KGLIPLIRSA-N 439.272 4.688 30 10 IJEE CCOc1ccc([C@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296154634 QHCGQWKEZYLONQ-QFIPXVFZSA-N 444.443 4.754 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](N)C#Cc1cccc(Br)c1 2296216063 GYRVORFHOPZLQT-PMACEKPBSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)C#Cc3cccc(Br)c3)CCCC[C@@H]12 2296224206 HWGWZAGSGVHLRG-XMSQKQJNSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](O)C#Cc3ccc(Br)cc3)CCCC[C@H]12 2296276199 FPRQOBVFGIURBE-CNNODRBYSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296276558 JFFMYXTVLNHIJE-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@@H](O)C#Cc2ccc(Br)cc2)c1 2296278861 ISXAGLVMBIGHRA-FQEVSTJZSA-N 430.342 4.601 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2296280086 WLQSZXJNOWDLNP-AVRDEDQJSA-N 433.390 4.616 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]12CC[C@@H]1CCN2C(=O)OC(C)(C)C 2296300354 HAHMYMZKENSUGH-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 2296310462 KCOILHMCHXHIDT-MOPGFXCFSA-N 449.414 4.586 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2297745438 FIFSSNMCRMDLGB-HSZRJFAPSA-N 442.471 4.568 30 10 IJEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C[C@@H]1CC1(Br)Br 2300300845 QQHZACGYCRCHKS-LBPRGKRZSA-N 449.036 4.535 30 10 IJEE Cc1cc(OC(=O)c2ccc(Br)cc2)cc2c1C(=O)C(=Cc1ccncc1)O2 2322708437 USRFCYNMMQWZRY-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)cc(C)c3C2=O)cc1 2322799233 GSCVRZGOEPCNKT-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2322904432 OBRNNIQTFNANQC-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OCCC)cc2)cc1[N+](=O)[O-] 2323925194 QXGXGZINUMXVLI-UHFFFAOYSA-N 427.453 4.612 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)c1 2324745248 SEGCTGMEUPKDIM-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2324745411 TYODEAKLMNBWBU-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE Cc1c(OCCN2CCOCC2)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2325669909 QUIWVVQNGPRSPR-UHFFFAOYSA-N 441.527 4.989 30 10 IJEE O=C1C(=Cc2ccccc2Br)Oc2cc(OCCN3CCCCC3)ccc21 2325701166 HTXRCAZHGLXYPN-UHFFFAOYSA-N 428.326 4.930 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 2325722164 XTXVEFOEVQGXSX-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)cc1 2325731903 MZRRZSZXJAYLSQ-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cc(C)ccc1O 2327465279 ZPWPVLHSOIPFCG-UHFFFAOYSA-N 430.480 4.700 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)cc1OC 2330710805 MFAYZCGQSWEEAV-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cccc(C)c1 2330786173 BOXONGRBBLBPFJ-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 2330795095 CKZAEOWKNKZSES-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(Cl)cc1 2331352035 XMBXXKKVOMYRHR-UHFFFAOYSA-N 441.988 4.565 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C(C)(C)C 2331413736 MEZHXHIBTILNOE-INIZCTEOSA-N 441.626 4.797 30 10 IJEE COCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2331562522 MIYUGNNNGPKSOO-UHFFFAOYSA-N 440.569 4.703 30 10 IJEE COCCOCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Br 2331706908 QHXGNOSGTYDOCI-UHFFFAOYSA-N 447.325 4.530 30 10 IJEE CCCCCCCCC=CCCCCCCCC(=O)N[C@@H](CO)COP(=O)(O)O 2333326778 OTPODXRPJGBQEK-FQEVSTJZSA-N 435.542 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339593873 LYPYZWIUTPUURM-SWDTZWKESA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339598939 JTYKXNPABJNATI-JJZRNCAZSA-N 444.381 4.941 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2358671075 DZINGPJKRXLULR-YSIASYRMSA-N 435.406 4.862 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc2sc(C)c(C)c2c1=O 3470412 XJKYQSJHPSRSIR-GOSISDBHSA-N 439.606 4.547 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@H](CC(=O)Nc2cccc(C)c2C)C(=O)N1C 8816392 FTNFMXPMDQWFNA-GOTYSUTNSA-N 431.945 4.556 30 10 IJEE Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(Cc4cc(C#CCO)cs4)C3)c2)c1 12431923 RXZKKQRPCJMEKF-DEOSSOPVSA-N 444.600 4.918 30 10 IJEE COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4cccc(C)c4)nn32)cc1 20134228 IWZCXNVTEXPEPJ-QFIPXVFZSA-N 432.549 4.909 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4OC)cc(C)c3C2=O)cc1OC 41285770 VYJBPKVZCAKTQF-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc5c(c4)OCO5)c3C)C2=O)cc1 41291327 GPSJGVQATIEMJS-JJFYIABZSA-N 430.412 4.568 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3Oc3ccccc3)n[nH]2)o1 59019996 LNYAVSWNBKHNOI-YDZHTSKRSA-N 448.508 4.675 30 10 IJEE CCCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C2CCCCC2)c1=N 101079638 JUPZDAJETHTIAF-UHFFFAOYSA-N 449.599 4.642 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2cccs2)c1 169928575 VIOZVDBXWAEDPU-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(N(C)C)cc1 169952481 XSIYCWFBAMHFSL-QHCPKHFHSA-N 448.519 4.502 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccn3)nc2c1 170000107 VTEQMZPVIMNCAU-FQEVSTJZSA-N 444.878 4.703 30 10 IJEE CC(C)COc1ccc(C2=C(N3CCC[C@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170011710 NIDCPZCCJTUNLX-IBGZPJMESA-N 443.547 4.609 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(F)ccc4[nH]3)[C@@H]2c2ccccc2)s1 170056551 XTGXYSHBHWAEMS-GOSISDBHSA-N 448.479 4.558 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC)c1 170112221 RCORXOZUDQDCFN-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)c1 170131557 OQWKDZMJXFUWLK-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 170131585 NWBDENVWXWLBSQ-QFIPXVFZSA-N 447.462 4.940 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccc(O)cc1 170137245 IRSXHBFTDNPYTR-LJQANCHMSA-N 434.517 4.812 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccn2)cc1 170171111 KCIHAVDWNGGJPA-JOCHJYFZSA-N 432.451 4.575 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccncc2)c1 170200758 LUGHMGOAFGNIFL-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1cccc(O)c1 170263003 ANOYURYMOPFARR-IBGZPJMESA-N 429.900 4.741 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)cc1C 170274862 IPJKLFAETILBRS-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccco2)cc1C 170279548 PMGXHPJZNWQZIV-HSZRJFAPSA-N 446.503 4.754 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccc(C)o1 170304544 XAORMHAOVMSSPG-QFIPXVFZSA-N 433.460 4.702 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)o2)cc1 170307924 DUXJFINLMFEJCW-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OCC)c2)c1 170363339 WOYOUWWXKPKBRY-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1 170392957 BAZZUXZIMLZCOB-XMMPIXPASA-N 440.499 4.990 30 10 IJEE CC(C)COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 170420022 SKGJRHMQSFIZNS-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE N#CCCn1ncc(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c1-c1ccccc1 429031287 UAYMYYFCMSJERN-UHFFFAOYSA-N 429.911 4.728 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC2(CCOCC2)c2ccccc21 460395743 UPKWORJMQYXPRN-UHFFFAOYSA-N 430.552 4.676 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Cn1c(-c2scnc2C)nc2ccccc21 463288962 RIRLSSZGBMOLKA-UHFFFAOYSA-N 432.549 4.692 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 501765154 VDCCUDZLZDDUFE-UHFFFAOYSA-N 430.386 4.628 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 504463518 YUZAJQPXTITZMV-XMMPIXPASA-N 438.531 4.536 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2cccs2)C1 508460104 AFNMRZLLEWNRTH-LBPRGKRZSA-N 437.388 4.595 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 518403305 DWTQQFZHDQKCLN-VGSWGCGISA-N 440.494 4.678 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)cc1 521250712 DACMWNNTFVNZGF-OAQYLSRUSA-N 447.491 4.643 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 555258870 UAJFWKJZKFRLGM-SSEXGKCCSA-N 440.535 4.668 30 10 IJEE N#CC1(CCCN2CCN(CCCC3(C#N)CCOCC3)c3ccccc32)CCOCC1 561893727 DPEGZFHWTUHQQV-UHFFFAOYSA-N 436.600 4.514 30 10 IJEE COc1cc(OC)cc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C)c(C)c2)c1 586212133 ZBVOSPSFPRSTOP-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=CCC1([C@H](NC)c2c(C)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 722932724 FVASYMPSFXPFJR-QGZVFWFLSA-N 427.358 4.970 30 10 IJEE Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCc1cc(Cl)ccc1OCC#N 735341063 FVSZZTBAWZGFPD-UHFFFAOYSA-N 430.869 4.815 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccc(C(C)C)cc1 742214428 FECCWCBQOJKJQT-QFIPXVFZSA-N 449.576 4.889 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1 750730966 UFTOECRAORPGSI-NOZRDPDXSA-N 433.515 4.893 30 10 IJEE C=C(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(F)cc1 777450254 MZJWYPZBUMCXMC-SFHVURJKSA-N 433.455 4.640 30 10 IJEE C=CC[C@@]1(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)CCCN1C(=O)OC(C)(C)C 791716315 CACFFVJSRHPTNU-QFIPXVFZSA-N 447.919 4.779 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1)c1ccc(Cl)cc1 810473220 HHBKFDAPUQNQCE-NRFANRHFSA-N 441.934 4.679 30 10 IJEE Cc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3coc5ccccc5c3=O)CC(=O)O4)C2=O)o1 1081804409 MKPYKACNVRQWAS-LYUVJKPTSA-N 440.407 4.752 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1 1084344471 LKCQEESKYMWDIY-BZSZNZHGSA-N 438.582 4.759 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC(C)C)[C@@H](CC)c2ccccc2)ccc1F 1125887095 PLEVVRSEKOYTRF-NRFANRHFSA-N 432.561 4.540 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc2ccccc2c1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003758 YNFBYQUXMSNSML-CPJSRVTESA-N 431.532 4.796 30 10 IJEE C#C[C@H](NC(=O)c1c(F)ccc(Br)c1C)c1ccc(Br)cc1 1129611283 WZQDTBPYKRJHIC-HNNXBMFYSA-N 425.095 4.763 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1ccc(Cl)cc1F 1129615866 IHFLMUYOQVFXGR-IBGZPJMESA-N 446.707 4.840 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccsn2)nnc1-c1ccc(Cl)cc1Cl 1132744635 DQWNABFYYMSNMP-UHFFFAOYSA-N 426.354 4.625 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](CCOC)Cc3cccc(Br)c3)cc2n1 1134291235 NKIWECVZDMNCHO-QGZVFWFLSA-N 442.357 4.819 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 1137688130 ILSZJEJNVHBJSV-WOJBJXKFSA-N 432.536 4.639 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC/C=C\Cl 1141763177 JUOLCZJGJQEUNI-MQHMHSRESA-N 440.927 4.660 30 10 IJEE CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1ccc(COc2ccccc2C#N)o1 1152744161 GTEDMRXVAZCMGO-HSZRJFAPSA-N 443.547 4.857 30 10 IJEE C#CCCOc1ccc(CN[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1 1178805504 LVHGJVCHDXHDSZ-SQHAQQRYSA-N 431.507 4.769 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(F)c1)c1ccc(C(F)(F)F)cc1 1188471373 XBXLJCKNVZHZEW-GOSISDBHSA-N 445.434 4.617 30 10 IJEE C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(Br)cc1F 1194816768 HJWCBKHFGSMRQA-LLVKDONJSA-N 436.350 4.689 30 10 IJEE C=CCOc1c(Cl)cc(CNCCc2cc3ccc(C(=O)OC)cc3o2)cc1OC 1207769159 YEPAMCUIQKKGTC-UHFFFAOYSA-N 429.900 4.779 30 10 IJEE Cc1ccc(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(OCCC(C)C)c1 1216646257 ATEZBEXTWJLWFV-UHFFFAOYSA-N 435.503 4.938 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(SCC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1227108717 MJPPYZTZSPQPNY-SFHVURJKSA-N 445.629 4.904 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1230276408 CZMDCFBVYDJUDR-GCJKJVERSA-N 445.560 4.561 30 10 IJEE C=CC[C@H]1N(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CCCC1(C)C 1248377417 LNLKJBIFHSWHSL-WOJBJXKFSA-N 449.636 4.569 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1 1264764603 MGNYSWZSKONBJK-OAQYLSRUSA-N 428.504 4.615 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)C(F)(F)c2ccccc2Br)c1 1270778769 FBYWTSMHPDXQSP-UHFFFAOYSA-N 445.057 4.918 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cc(I)cc(Br)c1C 1270903002 FIVKJMCVYMXQOP-GFCCVEGCSA-N 434.115 4.543 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1CCC[C@H](C)C1 1286423960 ROCXAQSFXHXIEX-NRFANRHFSA-N 438.019 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)c1ccccc1 1286528562 GMTCAUVVGOMJMO-UXGLMHHASA-N 436.600 4.577 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](CCC)C1 1286532591 GZBGDNQBINSQAC-AWEZNQCLSA-N 425.758 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)C)CC1 1286564805 YVQKKTWRVSIAPH-UGKGYDQZSA-N 444.023 4.500 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC(C)C)C1CCCC1 1286565787 PUZKYSDXUKMFFE-ZJSXRUAMSA-N 440.636 4.526 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccc(OCC)cc1 1286598715 APUDIIGXNYRPGN-BEFAXECRSA-N 444.486 4.913 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCn2ccnc2C)CC1 1286637772 MJUQIHWCANTCJZ-OAQYLSRUSA-N 434.588 4.787 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1286670105 AQEJNSQPVSOFAP-HKBOAZHASA-N 445.652 4.643 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1C[C@H]1CF 1286747134 HZEOCKZZDGDWQF-OXJNMPFZSA-N 428.533 4.747 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1CC 1286749944 IYWBWCAIMDDWSB-IBGZPJMESA-N 427.643 4.669 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cc(C(C)(C)C)no1 1286753106 UQECBORSDWKOHM-UHFFFAOYSA-N 443.555 4.847 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1286821972 AXCQMLTXZJAPOJ-MJGOQNOKSA-N 427.618 4.549 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)C(=O)OCC 1287777034 MMEQCPSVPMVGEZ-JOCHJYFZSA-N 436.939 4.943 30 10 IJEE Cc1ccoc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1289262322 AYQQOZYCKDLHBO-UHFFFAOYSA-N 425.920 4.590 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1cnc(C)s1 1300393469 FBRSFTZOGBITMI-UHFFFAOYSA-N 439.585 4.556 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1300746745 UVWMQONKQNGEKF-MOPGFXCFSA-N 442.629 4.732 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(N2CCCC2)nc1 1300924570 DEDDJHBQBJYNKG-UHFFFAOYSA-N 446.599 4.611 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H](OC)C(F)(F)F)C1CC1 1301316626 GTQRWOKRKBLTDL-INIZCTEOSA-N 432.849 4.860 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1C[C@H]1C 1301346549 DZDSKXDXYVLDMQ-AEFFLSMTSA-N 440.389 4.895 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[C@H](O)C1 1301365474 QFVKSMRGYOPAOW-QUCCMNQESA-N 440.588 4.813 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCCC2(CCOCC2)C1)C(C)C 1301367948 WGRROWYHWAGBFW-QHCPKHFHSA-N 441.664 4.641 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCC2(C)C)C1 1301565997 INISECUUKWFMPE-GMAHTHKFSA-N 438.616 4.680 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C 1301622319 FBUMUPIYIYTRCU-MOPGFXCFSA-N 449.665 4.894 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1)C(C)(C)C 1302580899 BIVFBAXVVIIKSC-RTWAWAEBSA-N 449.628 4.669 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1303013088 HWJYJASXYPDQQY-SANMLTNESA-N 433.600 4.898 30 10 IJEE C=CCn1c(SC[C@@H]2CC[C@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307237456 ADQOWPAFASXNSJ-SLEUVZQESA-N 444.544 4.971 30 10 IJEE CN(CCOc1ccccc1C(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1309451579 CGIOUEJRQKDCOJ-UHFFFAOYSA-N 440.487 4.574 30 10 IJEE C#CCN(C(=O)Nc1ccc(O[C@H](C)CC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1310188594 AXUGFMSRZFLPOY-GOSISDBHSA-N 429.561 4.731 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cnn(C3CCOCC3)c2C)cc1 1310236829 DHTVYWOAXOOKDM-UHFFFAOYSA-N 447.495 4.860 30 10 IJEE C=C1CCC(CNC(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1312131268 KSCDKTJLNRADKT-HSZRJFAPSA-N 426.582 4.534 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 1312139261 QIQXJGNAXOFLOK-LJQANCHMSA-N 438.385 4.550 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)CCOc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCO1 1312541594 JQMIXFLISNPQJM-SJORKVTESA-N 433.763 4.628 30 10 IJEE N#CCC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(F)(F)F)CC1 1316537668 FUABTSAJOAOALH-UHFFFAOYSA-N 446.246 4.539 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 1351081283 XCSYXUFMCDBWKY-GFCCVEGCSA-N 439.291 4.890 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 1351436082 BPUSLCVHZVOTOB-UHFFFAOYSA-N 427.526 4.901 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC(CC)CC)ccc1Cl 1351640324 VIBGSYKVVUZPDY-UHFFFAOYSA-N 438.952 4.779 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1352661176 QRWHEXVDKNQBMB-AWEZNQCLSA-N 434.936 4.808 30 10 IJEE C=CC[C@@]1(C(=O)N(CCOC)Cc2ccc(C)cc2C)CCCN1C(=O)OC(C)(C)C 1354366001 ZCWUJKGTFFMTJG-VWLOTQADSA-N 430.589 4.624 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1OC 1354537372 HRHOUCNMRQUECK-XFFZJAGNSA-N 449.547 4.673 30 10 IJEE COC(=O)C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccc(F)cc1 1355963977 FBLYXROTJQOSIQ-QFIPXVFZSA-N 432.451 4.832 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1358106211 LPHWELNTGAALJB-HMMYKYKNSA-N 440.565 4.632 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1CCN(CC)CC1 1358873798 OLWQTXGWSLUYQY-RBUKOAKNSA-N 444.023 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C)C1CCCCC1 1358878715 CFVKRTNEVWPWTA-QGZVFWFLSA-N 431.987 4.850 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1358920634 DMAYTJAYAXXZQQ-LAUBAEHRSA-N 438.963 4.560 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2Br)C1 1358931209 SDEDQBNXKCLDQU-IBGZPJMESA-N 445.405 4.621 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1359182463 HGYOGHMBSGPWSN-LJQANCHMSA-N 436.478 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnn(C)c1C 1359184044 ATKSMRPHPRNEGZ-UHFFFAOYSA-N 444.530 4.827 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCCCC1 1359184284 JYRZPVDZYOHVLN-UHFFFAOYSA-N 430.618 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1359185595 CGPULKIIHKZRPQ-LJQANCHMSA-N 439.604 4.898 30 10 IJEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359229061 XGNSDVBTMVPTPE-SIKLNZKXSA-N 449.426 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOCC)CC1 1359235154 PGAOJGAQNBOQCV-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCN1CCC[C@@H](C)C1 1359244990 YKEBWNJKZOCOAZ-MRXNPFEDSA-N 438.403 4.518 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cnn(C)c1 1359262103 HWKPTPJKJDKCMF-UHFFFAOYSA-N 442.951 4.774 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1359342073 OJEMINAHWROIBC-UHFFFAOYSA-N 449.665 4.548 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1435384123 HTTJPEVLPYQSPG-GOSISDBHSA-N 444.329 4.834 30 10 IJEE C=CC[C@H]1N(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCCC1(C)C 1436084219 UKFRUVSRALJHQU-YLJYHZDGSA-N 434.527 4.734 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(C3SCCCS3)cc2)CC1 1454864680 BHMPSHIWDHBDRE-UHFFFAOYSA-N 427.570 4.528 30 10 IJEE C=CCN(CC(=O)N(Cc1ccccc1)C1CC1)Cc1cc(Br)ccc1F 1459419274 PBLKBJOCUPCYSG-UHFFFAOYSA-N 431.349 4.767 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Br)c1I 1461530500 IXIZZLPKARMGPV-FZMZJTMJSA-N 448.142 4.918 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2c(Br)ccc(Cl)c2F)cc1 1461740326 ZPMWFWXHUGUENK-UHFFFAOYSA-N 447.757 4.660 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cnc(O)c3ccccc23)cc1OCC 1461779334 QZBIQEBNILFEJM-UHFFFAOYSA-N 443.341 4.956 30 10 IJEE C#CCOc1ccc(CN[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1 1461810813 JNHQZDWPPDXEMB-HOFKKMOUSA-N 448.563 4.692 30 10 IJEE C=C[C@@H](CC(=O)N(C(C)C)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC)c1ccccc1 1462553753 MYFQXEADKOIDGD-MSOLQXFVSA-N 442.581 4.767 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1)c1ccccc1 1468348152 QKOBEMWHOHWIDI-DNQXCXABSA-N 428.532 4.970 30 10 IJEE C#CC[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccccc1 1469448505 PPOVAZNVXRVTGG-IRLDBZIGSA-N 433.552 4.979 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1469491181 KOBDACMTOQSRQU-AZUAARDMSA-N 431.458 4.817 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)c1cccc(OCc2ccccc2)c1 1470049344 BFOGVIZDTUFLLV-IBGZPJMESA-N 446.576 4.792 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F 1470667148 POQZCYZDPPINIW-ROUUACIJSA-N 429.706 4.883 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccc(Br)cc1NC(=O)c1ccc(OC)cc1 1472261735 OAPRCADEYIEIFF-INIZCTEOSA-N 429.314 4.501 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccn(-c2cccc(F)c2)n1 1473008998 PCJREBPGZPTRBP-UHFFFAOYSA-N 435.528 4.969 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1477860460 ZFNLFDPWEXLKSW-ROUUACIJSA-N 428.813 4.859 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCCN1CCC[C@@H](C)C1 1507519133 YBSUWRYGJWYIEX-QHAWAJNXSA-N 441.595 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccco1)N(CC)CC 1507525231 FNBNLMDUGBRWBP-PXNSSMCTSA-N 425.964 4.733 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCc1csc(C(C)(C)C)n1 1507619621 SZHCMMDPLMKPHW-UHFFFAOYSA-N 439.654 4.945 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCSC2)CC1 1507900635 SHAKLNFJGCHISQ-LJQANCHMSA-N 442.629 4.896 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N2CCC(C)CC2)CC1 1507909388 DEVILBLEHDJHMU-FQEVSTJZSA-N 441.595 4.519 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](OC)C(C)C)CC1 1507909707 PEMZWCLLOPVCIO-HXUWFJFHSA-N 430.618 4.652 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1507915929 HFDDDPNHHXLCDQ-LJQANCHMSA-N 444.023 4.754 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1507943672 KPYFHLSZTPDYMY-DHIUTWEWSA-N 434.588 4.581 30 10 IJEE C=CCCCn1c(N2CCc3sccc3[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1507953532 KBJJXVVTPWWTBI-XXBNENTESA-N 430.618 4.860 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(SC)cc1 1507970479 JGRCRKXYXVLJFD-UHFFFAOYSA-N 446.418 4.633 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)C(C)C 1508012497 YIFKDGUUJHMEJM-LJQANCHMSA-N 433.394 4.865 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCN1CCCCCC1 1508024639 MIAMDVRQNXSZQV-XMMPIXPASA-N 437.632 4.631 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCCC[C@@H]2C)C1 1508118418 VKKOYIOSEBKZOV-URXFXBBRSA-N 437.632 4.553 30 10 IJEE C=CCSCCn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1508168727 TULHPIGLVZYNJW-LJQANCHMSA-N 426.630 4.671 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cnc(-c4ccccc4Cl)s3)CC2)c(Cl)c1 1519767606 DBIOAIUTQDUHSJ-UHFFFAOYSA-N 443.359 4.951 30 10 IJEE COc1cc(F)c(Br)cc1NC(=O)c1occc1COc1cccc(C#N)c1 1525850299 DSXUECUPHIUPTB-UHFFFAOYSA-N 445.244 4.893 30 10 IJEE CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1530082075 IBWXHEYUXPCEAB-XMSQKQJNSA-N 435.955 4.785 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 1530148738 ACZVUPOPRHVPOY-LJQANCHMSA-N 432.442 4.916 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCc1ccccc1)CCC(C)(C)C 1533491199 FVNREHOUGKLURV-UHFFFAOYSA-N 431.584 4.658 30 10 IJEE CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1533955799 DKUBNIVHCJAYCO-CQSZACIVSA-N 429.879 4.520 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc1OC 1534113342 NXBZCZQCWUZUPM-ZRVKMLQASA-N 437.536 4.647 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1535483290 HSVKOBBFDXPDDF-RCCFBDPRSA-N 438.243 4.942 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1537452734 IPXUXAZLWCMJBA-WENCNXQZSA-N 428.554 4.535 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1537697699 SUQLYVJTSOJJQF-FPOVZHCZSA-N 448.579 4.974 30 10 IJEE C#CCN(C(=O)[C@@H](C)OCc1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1538199511 UKTZBCRYFKKWDI-UTKZUKDTSA-N 442.353 4.648 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)O[C@@H](C)c2cn(-c3ccccc3)nn2)s1 1539137503 CDNFIVBABRCRCN-AWEZNQCLSA-N 434.974 4.724 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC[C@H](C)N1CCCCC1 1539384476 IXLARKSUUXUPIT-FQEVSTJZSA-N 449.574 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)Cc1cccs1 1539566017 BREDPKTYTPERQP-KBMIEXCESA-N 445.592 4.661 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCCSC 1539607655 KICWVLHBSQLBEL-UHFFFAOYSA-N 445.814 4.608 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCC[C@H]1C 1539654871 GUJPSGHGRNMFSB-IIBYNOLFSA-N 433.394 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H]1CC 1539917388 CROYONBTLJJQMC-MOPGFXCFSA-N 448.615 4.902 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(OC)C1CC1)C1CC1 1540101810 MLWLFJYQHSXYJB-OAQYLSRUSA-N 449.368 4.817 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCS2)cc1 1542509030 FIVAKAIOIKNRAT-FQEVSTJZSA-N 427.643 4.905 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CN4CCCC[C@H]4C)cc3)n[nH]2)c1C 1544302742 IKJIVMYFZVZTQP-QGZVFWFLSA-N 432.572 4.703 30 10 IJEE COc1ccccc1/C=N\N=C1/S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccco1 1554646692 FNGOCYJNVYAQNV-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc1OC 1557932590 MPHCNJDALFVHEI-VQTJNVASSA-N 438.524 4.893 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OCC)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 1559330758 OCFJVHBOFQSVRG-LJQANCHMSA-N 440.590 4.919 30 10 IJEE CN(C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H](CO)c1cccc(Br)c1 1562850958 HORVRLTZHSIFRA-MRXNPFEDSA-N 436.375 4.877 30 10 IJEE C#CCN(C(=O)NCc1cc(NC(=O)OC(C)(C)C)ccn1)[C@@H]1CCCc2ccccc21 1565369725 SEDJBEVJCRIDGH-JOCHJYFZSA-N 434.540 4.651 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCC2(CCC2)O1 1565421793 JVVNUWHASDWDKR-KRWDZBQOSA-N 425.342 4.778 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(OC)c1 1583779389 IAZFNTXSFOBXAK-LJQANCHMSA-N 445.384 4.824 30 10 IJEE C#CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCCc2ccccc21 1585189721 SNRKFXVQAAMQBF-QFIPXVFZSA-N 434.337 4.788 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12)[C@@H]1CCCO1 1585511123 CKHBXQSQROTDCG-KNQAVFIVSA-N 435.321 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1sc(-c2ccc(C)cc2Br)nc1C 1586232177 OAWAWVVRZDONNO-WMLDXEAASA-N 435.387 4.900 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cc(Br)cs1 1587614205 FXNVMCYLMZGPMO-ZDUSSCGKSA-N 440.370 4.757 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1587749469 IYLYFJWUEPRSEP-GGAORHGYSA-N 430.600 4.566 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2[C@H]3CC[C@H]2c2cnc(C(C)(C)C)nc2C3)cc1OC 1587784588 UZCRARQICSNEIV-GEIBTNEESA-N 433.552 4.649 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCSC1 1589171355 BXHFIKKZSAQUGH-VBKZILBWSA-N 449.393 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCc1sc(C)nc1C 1589234256 QQLDOORPPORWDX-RUZDIDTESA-N 433.625 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1589547741 VQKWGEPZRSEXDF-QXUYBEEESA-N 430.637 4.632 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1593678108 XSTSLSBFFNUJHS-SFHVURJKSA-N 430.618 4.939 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H]2c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593682740 AEAUJXASTCNSKO-FGTMMUONSA-N 427.549 4.559 30 10 IJEE C=C(Cn1c(N2CCC([C@](C)(O)C(F)(F)F)CC2)nnc1C(C)(C)C)c1ccccc1 1593795937 BPXOETGMHREIFM-QFIPXVFZSA-N 436.522 4.819 30 10 IJEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCC)CCc1cccs1 1593851682 AUQHTQXNTQTSQR-UHFFFAOYSA-N 444.988 4.989 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C)o1 1593879363 QZGRDZSAXRPIQB-KRWDZBQOSA-N 449.983 4.683 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1594491790 KWHINUHUYJKZHI-PKTZIBPZSA-N 437.632 4.833 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594573585 VOONEPHRORYJCB-GKJHBJHPSA-N 428.552 4.775 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(F)(F)F)CC1 1594819296 AYYCUKQYFBGWRH-UHFFFAOYSA-N 444.448 4.519 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC[C@H]1CCO[C@@H](C)C1 1595070746 LAERBORIWGFDHU-PMACEKPBSA-N 426.605 4.982 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@H]1C)C(C)C 1595165722 LBROZPIOLPJYPB-KNQAVFIVSA-N 444.023 4.522 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C)CC2)cc1 1595639500 AVFIIFWOXSAKEB-GOSISDBHSA-N 437.613 4.873 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCC1CCN(CC(F)(F)F)CC1 1612256152 AEHHOBLMXLBVOC-SFHVURJKSA-N 448.537 4.656 30 10 IJEE C#CCCN(CCOC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1618712857 QIBFPZURUZUWIN-UHFFFAOYSA-N 444.560 4.569 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(I)cc2Br)CC1 1623186422 LVMKMQBAXORDCS-UHFFFAOYSA-N 449.130 4.922 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc3C2)cc1C#N 1623273700 GQNXGHWKEXTTTK-UHFFFAOYSA-N 432.402 4.736 30 10 IJEE C=CC1(CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)CN(C(=O)OC(C)(C)C)C1 1623660854 OSMYLEHBIZHIGS-OAQYLSRUSA-N 428.573 4.952 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(Cc2ccccc2)c1Br 1625278357 XYLPWPGQCUDEQI-UHFFFAOYSA-N 440.341 4.531 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)C2CC2)c1 1626933426 SQBLKYSDOFELFJ-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE C#Cc1ccc(NC(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)cc1 1627492780 NKWFNFYNEAZPGZ-UHFFFAOYSA-N 431.542 4.917 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1)C(C)C 1628521268 MUYONDZTVNUFBD-FCHUYYIVSA-N 448.449 4.864 30 10 IJEE C=CCCC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 1629735740 ATNYDTNJRDOKHK-QHCPKHFHSA-N 425.548 4.684 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2c(Br)ccc(Cl)c2[nH]1 1636305656 BBUPZKALNLRACW-UHFFFAOYSA-N 437.721 4.888 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nnc1-c1ccccc1F 1643491786 SBSLBFRAJATNEH-SFHVURJKSA-N 446.910 4.960 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Cl)cc1OC(C)C 1644666656 CQKGDCNDDQTYFJ-MRXNPFEDSA-N 431.360 4.779 30 10 IJEE C=CCOc1ccc(CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)C(C)(C)C)cc1 1644905910 RSNZUAPQFJJJQN-UHFFFAOYSA-N 436.600 4.876 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1N1CCN(Cc2ccc(Br)s2)CC1 1649196105 IEYHEKDXTWLUGP-UHFFFAOYSA-N 447.789 4.906 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC(F)(F)C1 1649604944 BHAXCGTURLOLLI-WZONZLPQSA-N 443.542 4.985 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc(O)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1649811336 SAVQIIVTZRJIEX-UHFFFAOYSA-N 442.953 4.920 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(c2nc3cccc(F)c3s2)CC1 1651677950 HZKSFXNNFQLMQY-KRWDZBQOSA-N 431.334 4.585 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCCc1ccccc1Br 1651708993 XSRCKBPICFHGRU-UHFFFAOYSA-N 435.435 4.590 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1CCC)CC[C@@H](C(C)(C)C)C3)C(=O)OC 1652380978 AHASGJMOJJMFOU-HIFRSBDPSA-N 434.627 4.839 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(C)nc2Cl)c1 1653371306 WDYXGAOOXPMCGU-UHFFFAOYSA-N 443.908 4.607 30 10 IJEE C=CCCC[C@@H](NCC(=O)Nc1ccc(I)cc1)c1ccccc1 1655463596 RYHCVPHWBBQCFP-LJQANCHMSA-N 434.321 4.917 30 10 IJEE C=CCOc1c(Br)cc(CNCC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1OC 1658573652 FUVUYQUGRNWFPR-BBRMVZONSA-N 438.284 4.612 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc2nc(O)oc2c1)c1ccc(C(F)(F)F)cc1 1662981258 XAOYTHPPLKXVFV-OAHLLOKOSA-N 426.416 4.538 30 10 IJEE C=CCN(Cc1ccccc1Oc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1663845533 UFQNEZBZMYGGNE-INIZCTEOSA-N 426.365 4.961 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@]2(c3ccc(Br)cc3)C[C@H](O)C2)c1 1666773071 DHEAXMXMLQYLOM-RVWIWJKTSA-N 431.330 4.576 30 10 IJEE CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C2)CC1 1667890796 DTTAAUFPBWIXGH-NRFANRHFSA-N 433.556 4.721 30 10 IJEE C=C(CNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F)c1ccccc1 1671261278 UQGSCAWLPJQJPR-UHFFFAOYSA-N 443.263 4.859 30 10 IJEE Cc1cccc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1S(C)(=O)=O 1672324674 ASJVWJZRRLSUIY-QGZVFWFLSA-N 433.533 4.820 30 10 IJEE CCN(CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 1673265433 IAUSMVALFSZGPQ-UHFFFAOYSA-N 449.477 4.874 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 1677220067 CKPROOSPKYIDOT-UHFFFAOYSA-N 444.510 4.958 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](NC(=O)OCC)C1)c1ccc(C(F)(F)F)cc1 1680856444 ZRCKOWKQDIZSJF-QZTJIDSGSA-N 427.467 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C 1681943284 FWEXDTNVYBGFNM-WWNPGLIZSA-N 434.024 4.563 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 1683289295 RXNYHACQWBBLSN-WOJBJXKFSA-N 437.367 4.562 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(Br)o1 1689878877 XVSKROBQIHIQDO-UHFFFAOYSA-N 443.345 4.749 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)CCC 1689928621 SKYMXQPQEKIVQR-WOJBJXKFSA-N 431.625 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCCN1CCCC 1690037706 ZZSIHNVYZPSKCQ-HSZRJFAPSA-N 443.595 4.809 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690059887 ZLWDNKKTJPPCPA-CNNODRBYSA-N 442.579 4.858 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)C)CC1 1690162020 YQCZJAOVENBNLL-UHFFFAOYSA-N 439.673 4.530 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCSC(CC)(CC)C1 1690170079 YNIGECZIYOMKGM-UHFFFAOYSA-N 439.654 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)COC 1690193539 MDICEFYNFJYXPY-SWWFSWNPSA-N 445.007 4.963 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1csc(CC)n1 1690278919 VUFJBKQANZIQDX-UHFFFAOYSA-N 432.391 4.939 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1690301847 ZKWYKMACQLSYEF-OAQYLSRUSA-N 432.996 4.598 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@H]2C1 1690352652 KJSXPIKJMYFLNQ-FQEVSTJZSA-N 444.023 4.582 30 10 IJEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(OC3CCCC3)cc2)CC1 1690363840 CEVXPYXAMQQQTP-FQEVSTJZSA-N 440.588 4.528 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](c2cccnc2)C(C)C)CC1 1690380395 NBBUMPZFJWVLID-DEOSSOPVSA-N 431.584 4.891 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2nc(C)c(C)s2)CC1 1690412098 CVAJJQWIUMUBEN-UHFFFAOYSA-N 425.577 4.726 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1690415303 GYSYGORULBAXQG-QHCPKHFHSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1690430533 MVOCCMFBMNURHK-UHFFFAOYSA-N 435.616 4.891 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C2Cc3ccccc3C2)nnc1[C@]1(OC(C)C)CCOC1 1690439717 NJOCWJIJJXVRRE-SANMLTNESA-N 438.616 4.525 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1CCCC1 1690558053 CLPSOIHYRYEVQU-UHFFFAOYSA-N 434.588 4.531 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc(C)c1 1690580608 BURBKSIMIPTLBB-ICSRJNTNSA-N 444.626 4.674 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690630002 QBMPYMPAZQWYOU-CYBMUJFWSA-N 428.867 4.767 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(C)(C)C2CC2)C1 1690707289 RZQZKMUDKMJSQQ-SFHVURJKSA-N 430.543 4.755 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC(C)(C)C1 1690735938 NDHBGYSCJQKICG-CQSZACIVSA-N 438.439 4.827 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCCCCC[C@H]21 1690750228 DCBDQXLXKLWUJD-WOJBJXKFSA-N 442.629 4.944 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)COc1ccccc1OC 1694049915 FCZARVFRGGJDDF-MOPGFXCFSA-N 425.577 4.645 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCN1CC 1705603954 BCXYFLQATGTZDB-PZJWPPBQSA-N 444.023 4.632 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705604930 WUPVLOOQFSYMQO-SFTDATJTSA-N 439.604 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C(F)(F)F)cs1 1705712182 MIVOHPFPKGDFQQ-UHFFFAOYSA-N 442.898 4.920 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCN(C)C2CCCCC2)CC1 1705784785 IVSLFNFREGIDPS-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1705792810 BWSIYSXLEDFQIH-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705800159 PWKXPDJAQYWMNK-UFYCRDLUSA-N 427.568 4.586 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1705813269 BLDAQNAEJSJPQW-YJBOKZPZSA-N 429.977 4.988 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCN1CCC)C1CC1 1705853951 KKMXDLMDSACHNF-IBGZPJMESA-N 429.559 4.566 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1)C1CC1 1705856089 FOIHVMMZNKANFL-QGZVFWFLSA-N 432.037 4.720 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC(C)C)C1 1705919655 IIKVTPDRRRGMKY-JOCHJYFZSA-N 426.605 4.839 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)c2ccccn2)c2ccccc2n1 1707251039 BDNUWDYWAMEJGU-LJQANCHMSA-N 439.567 4.913 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C 1710402666 HEMGBODBCQOTQP-LVCYWYKZSA-N 427.618 4.598 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1)C1CCCCC1 1711045561 FJWCWXZHKJOLIW-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(OC)CCC(C)CC1 1722346306 ONNZFDHAQLDHIE-UHFFFAOYSA-N 426.630 4.940 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1ncc(C)s1 1722376247 ZABBKTNHVPKJBX-SJORKVTESA-N 449.649 4.773 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N1CCC[C@@H](C)C1 1722470535 HBRMIADTQJIXRD-KHCICDEESA-N 426.008 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCO[C@@H](C)c1ccccc1 1722471887 UZUHPLBCKWAPET-HFZDXXHNSA-N 429.568 4.809 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722491181 ILHHROFGOOBWMQ-AWWSKVOZSA-N 441.595 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@H](COC)C1 1722494343 LYBCXJKDLVPUQN-DWLFOUALSA-N 445.007 4.833 30 10 IJEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1ccco1)Cc1cccs1 1722559297 RMPYFDQXSQCZFG-LPHOPBHVSA-N 448.976 4.616 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[C@@H](OC)C(CC)CC)CC1 1722562011 IHHZLBOAPHGYKJ-OAQYLSRUSA-N 440.588 4.714 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1sc(C)nc1C 1722658723 IRPBMILOUDUTFT-UHFFFAOYSA-N 436.560 4.737 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CCCc1nnc(C)s1 1722667629 HGQFOKFHONRJBO-UHFFFAOYSA-N 432.956 4.709 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1722671340 PYFPFOBZCYKSOP-IBGZPJMESA-N 436.478 4.688 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2OCC[C@H]2COC)n1C1CC(C(C)(C)C)C1 1722674222 PGGKTCATLQXNHV-OBMFMMATSA-N 442.604 4.827 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CC1CC1 1723782535 DOCMITRRNHKVCL-SFHVURJKSA-N 430.581 4.887 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)OC 1726846100 GQTOYHLBULKQEO-RWTJRTBCSA-N 443.567 4.748 30 10 IJEE CS[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nccs1)C(C)(C)C 1731045803 AQCUHSMVWIWHLE-KRWDZBQOSA-N 426.615 4.687 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740566184 PWXIRLAAOBDNEB-GOSISDBHSA-N 442.489 4.917 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 1740570719 ROXOVEWFHSNMBQ-INIZCTEOSA-N 447.288 4.823 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCC1(F)F 1740630940 GRLHMBRSZFSYAP-RTWAWAEBSA-N 440.538 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC(C)(C)C 1740757264 UFZNYJMIIUFCCL-KNQAVFIVSA-N 442.604 4.816 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1740762012 QPEFLXYTKNANCR-RFWXGWTQSA-N 442.604 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CC)C1 1740766561 IUFURIRCVMAZJP-YYDVJCTNSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCCC1(C)C 1740767949 BIEZPYZIYSWOEM-RUZDIDTESA-N 434.588 4.679 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCO[C@H]1C(C)C 1740768540 LYUMEVRBPBBRSF-REWPJTCUSA-N 434.588 4.799 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740779665 UDSVKNRFUTUVIA-KRWDZBQOSA-N 435.538 4.892 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1740789789 KSMFERMHZQBQLN-GOSISDBHSA-N 427.936 4.829 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1c(F)cccc1Cl 1740791461 HTPWGEDYTBAUDY-UHFFFAOYSA-N 429.927 4.670 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H](C)N2CCCCC2)CC1 1740826193 CMDFNYPBVTZPRD-HXUWFJFHSA-N 428.024 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@H](C)C1 1740845435 OJIOWAXZEXSLMD-HNNXBMFYSA-N 449.393 4.544 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@H]1C 1740859346 KUOHKCMLDRJYFU-CQSZACIVSA-N 439.785 4.942 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1740871227 UVKFKPACWOBAAM-UHFFFAOYSA-N 427.902 4.639 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1740872021 WGYOWQJCJIFBPS-NRFANRHFSA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1740909022 USSBAAFSLRIDOJ-HNNXBMFYSA-N 439.913 4.638 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(C(C)C)CC2)C1 1740973991 IBVUSHMYYQERRA-IBGZPJMESA-N 432.515 4.764 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1cccs1)N(C)C 1748646973 GQDZTPITKNKNAU-XMSQKQJNSA-N 444.608 4.624 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1N(C)CCCC1(C)C 1748771067 HAAKRKNTRIJSOW-DEOSSOPVSA-N 444.627 4.542 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1cccnc1OC1CCCC1 1748917721 KCPROBMWTNLCIV-UHFFFAOYSA-N 429.568 4.732 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1749023016 OVLWREPXOSRPSD-YKSBVNFPSA-N 437.613 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccccc1C 1749135902 JKJONZFRBXSZAF-HWBMXIPRSA-N 448.615 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1749144186 STFGWGOXSAOIDO-ZEVJAHDQSA-N 438.616 4.951 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cc(Cl)c(OC)c(OC)c1 1749156279 UAFOFRCKCICKRQ-GOSISDBHSA-N 434.968 4.641 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749415597 PJPAWHNOFCFPQJ-UHFFFAOYSA-N 442.007 4.936 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749433238 BXGYCVZPBGGKNR-UHFFFAOYSA-N 440.588 4.610 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)C[C@@H](C)C1)C(C)C 1749557287 HFDUXUIMRDJRIK-ODAXIHTASA-N 429.653 4.701 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC=C(C)C)C1 1749699865 DKYGOHGBGOVKEB-KRWDZBQOSA-N 449.368 4.984 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC)CC1 1749740453 DZMKTURDADMBFP-UHFFFAOYSA-N 427.618 4.693 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS[C@@H](C)C1 1749745356 ZKBUQZUPAFBJNH-JKSUJKDBSA-N 439.050 4.932 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1760237712 SGANPJGRWLRVPV-URXFXBBRSA-N 438.616 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccsc1)N(CC)CC 1760294518 ZJLRWGBJTWBJRT-AWRGLXIESA-N 441.645 4.656 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(C)(C)OC[C@@H]1C 1760319050 QJGBQXGZTXYMJF-YRNRMSPPSA-N 448.970 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1OC 1760331380 RZDASTMYFGISAS-IEBWSBKVSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC(F)(F)Br)CC1 1760405216 PGLGHOQYAOOWSP-UHFFFAOYSA-N 441.320 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccccc2F)C1 1760414471 RZEWNKYBPOXRCZ-QFIPXVFZSA-N 435.547 4.583 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760422903 SQCDOZRLMHKRDA-RTBURBONSA-N 438.551 4.641 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCSC1 1760424967 AKRGURRCZRJMQM-RBUKOAKNSA-N 449.665 4.691 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1760427610 FJDRDSRNHCEIQJ-KAGYGMCKSA-N 428.552 4.634 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1Cc1cccnc1-n1cccn1 1760484339 WCGBUVJKOIEGCS-GOSISDBHSA-N 433.585 4.675 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760504308 NUNOAQPQNMRRGW-YADARESESA-N 446.039 4.748 30 10 IJEE CCC[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1763755012 IAQXVHVXZZJQAO-NRFANRHFSA-N 434.009 4.515 30 10 IJEE CCC[C@@H]1C[C@H]1n1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 1766351846 FDGFZQJSBUZVDG-HSALFYBXSA-N 442.608 4.841 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCC1(C)C 1768993111 FCQVFZIBHKRVBW-GAJHUEQPSA-N 443.592 4.847 30 10 IJEE CO[C@@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H](C)CC#N)C1CC1 1769625871 HDYAIDWYGWZYKX-KXBFYZLASA-N 436.585 4.540 30 10 IJEE O=S(=O)(c1cccc(-c2csc(NN=Cc3cccs3)n2)c1)N1CCCCCC1 1772723989 NOWCPLZWUFNXAS-UHFFFAOYSA-N 446.623 4.882 30 10 IJEE COc1ccc2nc(SCC(=O)NCCc3ccc(Cl)cc3Cl)c(C#N)cc2c1 1858204783 QWWGGAHLCDZRGJ-UHFFFAOYSA-N 446.359 4.873 30 10 IJEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)Oc2ccccc2)sc2c1CCCC2 1858685730 CPSACQVUUFSEHL-UHFFFAOYSA-N 448.504 4.522 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1861031900 VAYWZVLZYIGSMA-JOCHJYFZSA-N 443.519 4.552 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861188672 LKJCVDUEFDNITF-NVQXNPDNSA-N 447.639 4.799 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)Cc1cc(Cl)ccc1SC)c1ccccc1 1861896997 DKLDQTDWHNGODC-QFIPXVFZSA-N 428.985 4.663 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1c(Cl)cccc1Cl 1862509055 WETQPSFJLBCHGN-SFHVURJKSA-N 438.282 4.666 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)c1 1862523824 QBAVKEROEXBUEO-IBGZPJMESA-N 428.326 4.992 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862539258 PTESBTGKMYXLFL-IBGZPJMESA-N 434.319 4.517 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC)cc1OCC 1862601986 RPCHWJXUJGDKPW-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(F)cccc2Cl)cc1 1862692243 HUDWZBJKLCHTGL-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1C 1863253748 XGHURNZXFIMUGK-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(F)cc2)C1=O 1863507294 IURQDDZYCFGYEK-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(Cl)cc2)C1=O 1863534057 FMXAVSHBBCPJGM-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE CC[C@@H](C(=O)N[C@H](CCSC)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866953812 DOMQTUOVQDJFPM-WOJBJXKFSA-N 429.973 4.582 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(C#N)c1 1867183608 DZMLRGVINAADHE-FOIQADDNSA-N 429.973 4.582 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CSc2ccccc2)n(-c2ccc(Cl)cc2)n1 1870002681 UXGTWEADXYRUNU-UHFFFAOYSA-N 439.972 4.830 30 10 IJEE Cc1ccc(Cl)cc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc(Cl)cc1 1870146873 MGXUYVLUQWQGSR-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(C)cc(C)c2)cc1OCC 1870153290 LJLOSRMAKQYIDC-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2cc(Cl)ccc2Cl)c(C)c1 1870153593 BCRIRUVZQKOZSD-UHFFFAOYSA-N 443.338 4.853 30 10 IJEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN(CCCC)CCCC 1870504859 DKNOADOTOJZEOR-UHFFFAOYSA-N 445.648 4.606 30 10 IJEE C#CCOc1cn(CCCCN2CCCC2)c(CNc2cccc(C(C)(C)C)c2)cc1=O 1871007769 RJAPENCQGLWTNX-UHFFFAOYSA-N 435.612 4.646 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1871008882 SBHWUHHWTMGIJG-UHFFFAOYSA-N 447.554 4.814 30 10 IJEE Cc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCCN1CCCC1)C3 1871348304 CUZNWCBCICVNSC-JLPGSUDCSA-N 432.564 4.948 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(CCOc1ccccc1)CO2 1871352644 VLYGREPSHHRRFB-QRVIBDJDSA-N 431.463 4.981 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O)C(=O)Nc1ccccc1 1871404059 HYXJEYXOXJPRMV-HZRSJKMUSA-N 428.488 4.775 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1c(F)cccc1Cl)C2=O 1871433750 PREGDJPYXLBEKX-FAPYRAKZSA-N 448.874 4.751 30 10 IJEE Cc1c(CCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873941923 HEHIOYIXZHSJBX-UHFFFAOYSA-N 438.409 4.551 30 10 IJEE Cn1cccc1/C=N/n1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCO1 1874451164 SQMKAJKPDIFYQD-ZTBJCTOSSA-N 436.368 4.949 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C(C)(C)C 1874486822 MEZHXHIBTILNOE-OHHQFBAHSA-N 441.626 4.797 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(C)cc2C)nnc1C1CCC1 1874499128 YDOZJDDPMBOKCH-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1C(C)C 1874509046 INORDQLTVIAEKF-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1c(F)cccc1Cl 1874510420 MURYYBYQVKNVRP-YDZHTSKRSA-N 439.988 4.646 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cn(C)c3ccccc23)cc1 1874518102 BHPGBSZKNMBGMN-DHRITJCHSA-N 444.564 4.569 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)NCc1ccco1 1874578415 MTQOMVXGAGHWMX-FMIVXFBMSA-N 425.868 4.533 30 10 IJEE O=C(COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1)Nc1nccs1 1874595215 ZPQCINVLKAZIOB-BQYQJAHWSA-N 443.322 4.819 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] 1874633224 RSKKDGCVMXWUDH-CSKARUKUSA-N 441.480 4.838 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)C(C)C)c(OC)c2)c(OCC)c1 1875177450 LODCEHOAPWKYLE-FMIVXFBMSA-N 442.508 4.959 30 10 IJEE Cc1csc(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c1Br 1879735159 KPIRUJJYQIWYBF-XIKOKIGWSA-N 426.185 4.517 30 10 IJEE Cc1ccc(Br)cc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891026744 RJGSMNIEHRCXRE-UHFFFAOYSA-N 426.232 4.589 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccc(C3CCC3)cc2)[C@@H]1c1ccc(C#N)cc1 1892140411 WGEPHGGNCDREPZ-BJKOFHAPSA-N 433.577 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CC(C)(C)OC)NC(=O)OC(C)(C)C 1922092189 QIRIMTKNZRAHOM-VXKWHMMOSA-N 434.621 4.836 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(COC)CCCN1C(=O)OC(C)(C)C 1922121817 ZSUOTTQITJBTGA-DHLKQENFSA-N 432.605 4.544 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1930735653 RWJLOBICRDTKIK-GXTWGEPZSA-N 435.156 4.714 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](CC)(NC(=O)OC(C)(C)C)C(F)(F)F 1939654512 DNFUYSWWPUHTFY-GHTZIAJQSA-N 430.511 4.973 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 1950071777 LOYHRWABUMAVIB-TUVUNVSASA-N 431.508 4.859 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)cccc1Br 1986046314 PHQZQYLMIMEXLG-UKRRQHHQSA-N 448.199 4.942 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CN(Cc2ccccc2)C2(CCC2)C1 2037922288 HJFNVXPKZQIREA-IAPPQJPRSA-N 434.624 4.687 30 10 IJEE O=C(C1=CCC(F)(F)CC1)c1cc(I)ccc1Br 2045233716 UNJJFLPQQDACSG-UHFFFAOYSA-N 427.026 4.982 30 10 IJEE COc1c2c(nc3c(-c4cccc(C(F)(F)F)c4F)c(C(F)(F)F)nn13)CCOC2 2081474514 PHNBJRPTHYIWMJ-UHFFFAOYSA-N 435.299 4.654 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2140575628 RPGQRKMGDWKSFW-IRXDYDNUSA-N 429.399 4.773 30 10 IJEE N[C@@H]1CC[C@@H](C#Cc2sc(Br)c(Br)c2Br)C1 2212190041 RRFPVKUMSSSIHJ-NKWVEPMBSA-N 427.987 4.515 30 10 IJEE CC1(C)OB(c2ccc(CN3CC[C@@]3(C)CCOCc3ccccc3)s2)OC1(C)C 2214517920 MONZSYPRKBPFRX-DEOSSOPVSA-N 427.419 4.619 30 10 IJEE C=CCC(C)(C)OC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2229122510 GJESINMPCPTWOO-INIZCTEOSA-N 426.351 4.783 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C 2235736580 ZGORRQWZSWISSY-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3cc(Cl)c(Cl)s3)n2)OC1(C)C 2241217409 AXWOPAFVVBZSSF-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC(C)(C)[C@H]1C#N 2243905731 RQSRZXAZAHJMOH-HSZRJFAPSA-N 445.563 4.844 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2246713999 BCMKJAITAUZDDT-FCHUYYIVSA-N 432.605 4.542 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2247977654 AZZANYGJYSPXCT-MGPUTAFESA-N 449.514 4.961 30 10 IJEE CCN[C@H](C#CC1CCCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2251407294 MMAMRPSIJDOENH-XMMPIXPASA-N 427.633 4.575 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@H](O)C#Cc2cccc(Br)c2)s1 2278727178 GUOULUQTGDYYRL-OAHLLOKOSA-N 437.359 4.598 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cc(Br)c(Cl)cc3F)c2F)OC1(C)C 2280759097 NIHICTBWROAUCX-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CC1(C)OB(c2ccc3nccc(N4CCC[C@@H](OCc5ccccc5)C4)c3c2)OC1(C)C 2285398255 PKVVYBTUPLOHHT-JOCHJYFZSA-N 444.384 4.720 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2296274436 UQHINTSGQJQCDR-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@@H](N)C#Cc1ccc(Br)cc1 2296290315 BDFSUBDIBHRXSV-UXHICEINSA-N 435.406 4.849 30 10 IJEE O=C1C[C@@H](c2cc3ccccc3nc2O)c2c(ccc3c2OC(=Cc2ccccc2)C3=O)O1 2297596176 VBGOMNXTMVOJKL-SFHVURJKSA-N 435.435 4.998 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 2314028378 JFMXYLCDDSQXTF-MOPGFXCFSA-N 445.560 4.974 30 10 IJEE CCN(C[C@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317347473 XZFVXEWQEKQLOX-CLVCIHKQSA-N 432.370 4.751 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3scc(Br)c3Cl)C2)OC1(C)C 2319683713 UMUQVFTZDKEOTM-MRXNPFEDSA-N 434.592 4.862 30 10 IJEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C[C@H]3COc5ccccc5O3)C4)C2=O)o1 2322436935 NMSMHNKIQSMTCA-IBGZPJMESA-N 445.471 4.505 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3C2=O)cc1 2322799102 LXVRDLCPKIRRAQ-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c1 2323201510 FMYGULAUSJFFIH-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(OC)c(OC)c1OC)C2=O 2323739696 GEJNQOIHDOBGKM-UHFFFAOYSA-N 426.465 4.733 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(OCC(N)=O)c(Br)c1 2324573714 QQFLDGZQWDVOOQ-UHFFFAOYSA-N 430.342 4.815 30 10 IJEE Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc2c1C(=O)C(=Cc1ccccc1)O2 2325263632 RAJAUUYLSCLITP-UHFFFAOYSA-N 445.427 4.965 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OCCN4CCCC4)c3C)C1=O)cn2C 2325669144 IMGNPAROXNKYBG-UHFFFAOYSA-N 432.520 4.586 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3F)c2C)C1=O 2325739336 BZTJPXPCFMLHKZ-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE Cc1ccsc1C=Nn1c(CCCOc2c(C)cccc2C)nnc1SCCCO 2326414400 XVCYTJPYDYTZHJ-UHFFFAOYSA-N 444.626 4.633 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(OC)cc1 2326876391 UZBIFDZWTJNTOB-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(N(C)C)cc1 2327484934 UIBUFXCXSZMZDJ-UHFFFAOYSA-N 431.512 4.586 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2327649207 QVARZYDGGIEPRE-UHFFFAOYSA-N 443.916 4.969 30 10 IJEE O=C(N[C@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1cccc(Cl)c1 2328096394 WUVBJVHGMOMMRW-HKUYNNGSSA-N 437.754 4.780 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccs2)o1 2331201174 WDTZQYDRVQZSES-UHFFFAOYSA-N 428.495 4.544 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(Cl)cc1 2331337401 XBJCJIFQXFCFID-UHFFFAOYSA-N 432.933 4.828 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OC)c2)c1 2331394534 RKXGRTWWHLLNOY-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(F)c2)c(C)c1 2331473989 VEWPQXMYBGSDTC-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1cccc(F)c1 2331636810 HOXANBVVOFQRHR-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1Cl 2331821147 RSJCWLBVIKWKLA-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1cc(Br)cc(OC2CC2)c1 2337521280 RFTHFEVWDHGVLJ-MSOLQXFVSA-N 425.367 4.850 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339605504 FKCJSENCDHRIJT-MSOLQXFVSA-N 444.381 4.797 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364735013 WJTKNLJDIPYXDZ-RTBURBONSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Oc2ncc([N+](=O)[O-])cc2C#N)ccc1Br 2370352948 JKRNHGVNTRNAHS-UHFFFAOYSA-N 435.234 4.763 30 10 IJEE C=CCCC1(C(=O)c2c(OC)ncc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2370620818 REAYMDVKEJKASP-UHFFFAOYSA-N 439.350 4.547 30 10 IJEE CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)C2 20884569 ILNIBVPWGJRVEA-ICSRJNTNSA-N 449.547 4.885 30 10 IJEE C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 26556161 NQZYFRHAPUYNCB-MRXNPFEDSA-N 436.558 4.604 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)cc1 41292479 USSGNBNMUZDMTL-MTJSOVHGSA-N 432.403 4.756 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 141433219 ZHMATKSWKLCKMW-DEOSSOPVSA-N 429.472 4.503 30 10 IJEE COc1cc(/C=N\n2c(C)nnc2SC)ccc1OCc1ccc(Br)cc1 169914757 PVPSFMNPWNJDLU-NHDPSOOVSA-N 447.358 4.541 30 10 IJEE CCCOc1cc(OCCC)c([N+](=O)[O-])cc1[C@@H]1NC(=S)N(CCC)C(C)=C1C(C)=O 169930463 MIRIWPFWXPOQKX-NRFANRHFSA-N 449.573 4.677 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1 169957061 FFSVYUGWOSJGTM-HSZRJFAPSA-N 434.536 4.672 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCO2 169961469 AMXRLWRCJAECDN-JOCHJYFZSA-N 447.874 4.763 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2C)c1 170142815 NZYBLEWIDALWKK-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)c1 170172687 USQBQZSIHFUKJW-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccnc1 170194389 GNUSLFUXVIKNKH-HXUWFJFHSA-N 440.927 4.963 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 170238018 OQMVNYOUEJKKDL-HSZRJFAPSA-N 433.479 4.982 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccco2)cc1 170285348 GJOZDLGRDZTFGE-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C[C@H]2CCCO2)o1 170306753 UEXXFTFLRIYJRK-GCJKJVERSA-N 437.536 4.951 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccc(C)o1 170309749 YUZAEOKBDWXZAC-SFHVURJKSA-N 429.856 4.985 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1cccc(F)c1 170313579 PTNSOTHVASYAKS-SFHVURJKSA-N 438.436 4.887 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(OCCC)c1 170323349 DQVZSARQKISNPQ-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)c(Cl)c2)c1 170366641 TUWCAPNFQHYXSK-LJQANCHMSA-N 441.892 4.899 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@H]1c1ccc(O)cc1 170450777 HKIDVTICCDRGGU-KRWDZBQOSA-N 444.459 4.795 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(Oc2ccccc2)c1 170457140 LFSHNEWZOCYEQJ-HSZRJFAPSA-N 428.488 4.995 30 10 IJEE Cc1nc(COc2cccc(/C=C\C(=O)N[C@@H](C#N)c3ccc(F)cc3F)c2)cs1 208413435 DXCIKPCHILMJLX-DPVXCJKMSA-N 425.460 4.703 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 409868482 FAWJKOJKRZMCHS-ZIAGYGMSSA-N 425.337 4.949 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 508874019 PMGGCTGQBSTHKV-RDPSFJRHSA-N 448.567 4.807 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)c1OC 526491710 OMQLCNWZYMOAJB-NRFANRHFSA-N 447.878 4.681 30 10 IJEE N#Cc1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3cc(F)ccc3F)C2=O)c1 526659639 VYICARUNOOKUGB-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE C=CCCOCCCCC(=O)N1CCC[C@H]1c1ccccc1I 537198733 DMKJZTJXKYKIAK-SFHVURJKSA-N 427.326 4.718 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N[C@H](C)c2cccc(OCc3ccccn3)c2)CC1 540351218 FFROYUITTGUCGT-FTUOTLPMSA-N 434.584 4.631 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)c1cccc(I)c1 698965657 FUWSNJREXPJOFN-AWEZNQCLSA-N 441.273 4.793 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)c(Br)c1)c1cccs1 721343262 KDSAORONUNNDOA-SECBINFHSA-N 432.080 4.605 30 10 IJEE C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2cc(Cl)ccc2OCC#N)C1=O 735230201 GDZGJTMXNIMRCT-IBGZPJMESA-N 438.698 4.516 30 10 IJEE C=CCn1c(SCc2cc(Cl)ccc2OCC#N)nc2sc3c(c2c1=O)CCC3 735231385 UULUIVLBKKZOSI-UHFFFAOYSA-N 443.981 4.981 30 10 IJEE C[C@H](Oc1ccc(F)cc1Br)C(=O)OCc1cc(Cl)ccc1OCC#N 735345943 YYPWMQQLWIAHNU-NSHDSACASA-N 442.668 4.655 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCC(c3ccc(C)nc3)CC2)c1=S 782940016 BBMZCANAYKXYMO-UHFFFAOYSA-N 435.597 4.816 30 10 IJEE C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2C[C@H]2C2CC2)c1 797426839 OXKWQXSKUAANSN-BWAGFHJFSA-N 447.535 4.566 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C(C)C)nc2C)c(C(=O)OCC)c1C 1124820410 GUAWXMPHDFOYJQ-UHFFFAOYSA-N 430.526 4.655 30 10 IJEE C=CCCC[C@H](C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1125652577 BXUMCMQELVTRBR-DEOSSOPVSA-N 440.609 4.618 30 10 IJEE C=CCC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 1127411894 UYNPBUJELBEBAQ-SFHVURJKSA-N 432.402 4.787 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)c1 1136596566 LSRFFJKZOVEWFP-UHFFFAOYSA-N 430.430 4.740 30 10 IJEE C=CC[C@]1(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1138077038 GJSCEMVFFHSDIA-AUSIDOKSSA-N 434.964 4.586 30 10 IJEE C=CC[C@H](CC)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1139357255 WAFVTSCKOHTUTR-HNNXBMFYSA-N 441.380 4.808 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C(=O)OCC 1140929240 DPQPAJGMMMJFRJ-HNNXBMFYSA-N 427.444 4.941 30 10 IJEE C#C[C@@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Br)cc1 1141461405 UXVUBPKRAZLWLU-LJQANCHMSA-N 449.389 4.667 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 1141853297 JSVDBUSLRNBVPZ-MRXNPFEDSA-N 445.000 4.573 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc[nH]1 1148121390 JVVKCYBXMDBZLR-DEOSSOPVSA-N 429.520 4.504 30 10 IJEE C#C[C@](C)(CC)NC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1158491967 MSQLOWYENRPXAT-UZTOHYMASA-N 430.548 4.566 30 10 IJEE CCOC(=O)c1ccc(NC(=O)CN(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 1167851023 FGELKZLYEKOVDW-UHFFFAOYSA-N 445.494 4.828 30 10 IJEE N#Cc1ccccc1OCCN(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 1168051604 BLXTTXWLLNPVAP-UHFFFAOYSA-N 437.902 4.870 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 1180150766 PIUHOAPWSBZHRA-WJOKGBTCSA-N 438.455 4.813 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3)C(=O)OC 1187947761 FOFMFQRBBYGATN-PBHICJAKSA-N 440.590 4.782 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1215372708 JIYHTJIWZOEFAG-IAQYHMDHSA-N 426.357 4.749 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2cc(C)cc(C#N)c2)c2ccc(OC)cc2OC)cc1 1219113077 GEEZXXKRDARIME-DEOSSOPVSA-N 431.492 4.804 30 10 IJEE C#CCN(C(=O)NCc1c(C)cccc1C)[C@@H]1CCOc2ccc(Br)cc21 1230693211 DSPLEOYFOZKFSV-HXUWFJFHSA-N 427.342 4.735 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(F)c(C(F)F)c2)c(C(=O)OCC)c1C 1264357340 LXJHJXYSJWYBIA-UHFFFAOYSA-N 441.427 4.905 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)N[C@H](c3cc(F)cc(Br)c3)C3CC3)on2)c1 1269968657 ATTIWFIDDXXWPJ-FQEVSTJZSA-N 440.272 4.996 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 1286333871 COFYDHBJEARPTB-AABGKKOBSA-N 429.609 4.778 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CSc2ccccc21 1286368849 SPVAILHWJKXSRJ-CYBMUJFWSA-N 445.411 4.728 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1286436746 UVXYAVVMYMPVOR-GOSISDBHSA-N 445.558 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC)(CC)C1 1286553906 WBLFMQOIFALRSU-QUCCMNQESA-N 429.996 4.991 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCCN(C(C)=O)CC1 1286684544 IXUFCPMOTSENCK-SFHVURJKSA-N 441.645 4.546 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1286707098 BCTZVPDSYMWOHV-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1286707613 HHRKHEGVXLEVGT-UHFFFAOYSA-N 429.524 4.605 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1286724553 OJTOGZDPHVTZSP-QGZVFWFLSA-N 448.011 4.790 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)s1)C1CC1 1286733648 GVOIHSOLQHXCLY-UHFFFAOYSA-N 432.391 4.619 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1Cc1ccc(F)cn1 1286748209 TZYUFTVDABOLPS-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)c1ccc(C)cc1 1286748859 DDSYZKMKUCTVFC-WIYYLYMNSA-N 435.597 4.595 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cccc(Br)c3)no2)cc1 1290546008 OBZBYXINOIQBBU-UHFFFAOYSA-N 441.285 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1C 1300319274 AFAZNPWBDDRYAL-ULQDDVLXSA-N 431.378 4.514 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1300341307 FPMLGEJXLXRZKY-ZEQRLZLVSA-N 445.615 4.673 30 10 IJEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1300754170 KTNOIRODITXXCA-UHFFFAOYSA-N 437.594 4.809 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](COC)C1 1300876678 RZCUJYRKHNXUQW-LSWJPFSZSA-N 438.616 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(SC)CCOCC1 1300918879 LNMTZIDWZZOCND-UHFFFAOYSA-N 439.629 4.665 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC2(CCOCC2)C1 1301197101 DILDWBMEHNARER-NHCUHLMSSA-N 430.637 4.950 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCS[C@H](C(C)C)C1 1301249694 XCKIBHOJPVHGOS-NRFANRHFSA-N 425.602 4.597 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1csc([C@@H](C)OC)n1 1301397105 MXAWZXSIRXOLTA-BHIYHBOVSA-N 445.633 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2c(C)coc2C)C1 1301542953 UHCFMFSXWDSJGM-QGZVFWFLSA-N 430.911 4.777 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2cccc(C)n2)C1 1301565087 CYQXKGKQCPSRMN-JOCHJYFZSA-N 449.624 4.606 30 10 IJEE C=CCN(Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[nH]1)C(C)(C)C 1307938785 NYJKUWHMZTWVHV-UHFFFAOYSA-N 438.597 4.949 30 10 IJEE C#C[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1 1309530260 FFUFULLKGUFYDS-INIZCTEOSA-N 433.154 4.550 30 10 IJEE Cc1cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc(C)c1Br 1310689536 FYTLMUNJXFHLEY-UHFFFAOYSA-N 443.345 4.844 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cc1C#N 1337682777 ZCJOKDSBVYEJGM-UHFFFAOYSA-N 435.896 4.830 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(c2ccccc2C)=NO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350013396 VOQZQOYVDAHZIE-NRFANRHFSA-N 448.504 4.739 30 10 IJEE COCCn1ncc2ccc(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)cc21 1351627327 FONRUPLJKAHVND-UHFFFAOYSA-N 426.476 4.907 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 1354544398 AWUCDKQKHBLBQS-WMZHIEFXSA-N 443.513 4.650 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1ccccc1 1354750861 OWBPAWIKQKNBEP-HXUWFJFHSA-N 426.944 4.891 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CCCNc1ccc(C(F)(F)F)cn1 1358882486 AQWKDCGIUAQYDJ-KRWDZBQOSA-N 442.489 4.627 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC2(CCCCC2)C1 1358922698 NVRYJEUOEAHFFK-UHFFFAOYSA-N 443.389 4.661 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1cccs1)N1CCCC1 1358943080 VADDCVCRRZISIP-LJQANCHMSA-N 443.979 4.706 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCO[C@H]1C(C)C 1358969028 FMXNPOGSYYLYDL-ARNLJNQMSA-N 448.611 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1(C2CC2)CCC1 1358990476 PLDXTUJUVHSCAQ-UHFFFAOYSA-N 437.385 4.751 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CC(C)(C)C1 1359020161 TYPIGYYFROXSGX-KRWDZBQOSA-N 426.630 4.654 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359103392 NOGHYJZEUJJWBK-MHXAIHSWSA-N 444.570 4.772 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1359114732 WIIBCCMOANDTOK-LJQANCHMSA-N 443.555 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC=CO1 1359115842 OTMCCCVUTSAJQD-LJQANCHMSA-N 447.377 4.715 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)CCC)CC1 1359161840 SQAFGXKBHVYIBH-OAQYLSRUSA-N 433.394 4.724 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1359234591 UMWKOUHBHDIAHN-AEFFLSMTSA-N 446.437 4.759 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn(CCCC)nc1C 1359235278 UNRDPXKCCIMJRH-UHFFFAOYSA-N 428.968 4.583 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccncc1Cl)C1CC1 1359248016 XNLPGXWWGXHRIS-UHFFFAOYSA-N 431.874 4.798 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CCCC1)C1CC1 1359253512 IWZQAOIEQHIZOT-UHFFFAOYSA-N 437.371 4.624 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1Cc1ccnc(SC)c1 1359255479 ZSLCUUUYBUOCMK-UHFFFAOYSA-N 435.597 4.912 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCc1csc(-c2ccccc2)n1 1359269430 BDGYIVSKWFGDBF-UHFFFAOYSA-N 430.581 4.828 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)C(F)(F)F 1359280227 ISGXOUWURORBCZ-UHFFFAOYSA-N 435.494 4.664 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCc2sccc2C1 1359287284 VOLOLTTXBXPNMM-UHFFFAOYSA-N 443.617 4.593 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1359524399 GPJVUEXWXSKGJE-OALUTQOASA-N 429.515 4.503 30 10 IJEE C=CCc1cc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc(OC)c1OC 1435821553 OJQIWBDNJGDLMO-UHFFFAOYSA-N 429.314 4.606 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)c1 1441760822 ACPVDSVKMDYICJ-WOJBJXKFSA-N 431.561 4.649 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(Br)cc1O 1451177770 LRXOIUQDZBVVIX-UHFFFAOYSA-N 427.092 4.734 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(OC)ccc(OC)c2s1 1455070006 DRQMYEUVFGDHRW-CYBMUJFWSA-N 435.546 4.502 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 1459978365 AHQFDSNPWXXXLU-UHFFFAOYSA-N 429.927 4.969 30 10 IJEE N#Cc1nc(NC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)ccc1Br 1467111150 GAGGMBHBYZQXOH-UHFFFAOYSA-N 441.260 4.969 30 10 IJEE CCCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCc2ccccc2C1 1469400921 GFEGKTHOTORKQY-NSQNTRMNSA-N 432.568 4.622 30 10 IJEE CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)no1 1473204950 AGOMWXZLFMRSFP-QGZVFWFLSA-N 427.574 4.561 30 10 IJEE COc1cccc([C@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)c2ccc(C#N)c(C)c2)c1 1474980556 GBPNLPPHOMYPIV-VWLOTQADSA-N 434.561 4.754 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2)c1ccc(C(F)(F)F)cc1 1478272257 KFXAOOPJWUTOOZ-DQEVTTJGSA-N 439.478 4.631 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1)c1ccc(F)c(F)c1 1478471082 MXEUJDYDBSONLC-HSZRJFAPSA-N 433.543 4.796 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 1478842745 CSMQYVOSOCMIOG-NRFANRHFSA-N 443.469 4.648 30 10 IJEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1498769246 FWUJKGJBYDVKPS-BGYRXZFFSA-N 434.632 4.638 30 10 IJEE COCC(C)(C)CCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC#N)CC1 1504544459 FWBNNIXTLZGBMG-UHFFFAOYSA-N 448.615 4.864 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H](C)C#N 1505158865 CGMSCHIPCMYMJA-QGZVFWFLSA-N 429.634 4.892 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](CC)OC 1507664917 WUUJXORRKRPETN-HXUWFJFHSA-N 436.556 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC(C)(F)F 1507672577 DWLHEAZEDLSKIY-UHFFFAOYSA-N 428.527 4.663 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN1C1CCCCC1 1507681768 DJIIPXAMWVMIDK-FQEVSTJZSA-N 443.998 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1C1CCCCC1 1507826118 GHBDILZGWKMACU-QFIPXVFZSA-N 442.677 4.833 30 10 IJEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(C)o1)c1ccccc1 1507855295 RSFQOHUZHUINQZ-RBBKRZOGSA-N 436.556 4.958 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCCC[C@@H]2C)CC1 1507885431 ABLMEMVPNHVSNN-QFIPXVFZSA-N 437.632 4.689 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(C)(C)C)CC1 1507911970 RDEKXVRANFLTQT-UHFFFAOYSA-N 431.028 4.906 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(C)CC1)c1ccccc1 1507921772 YCGSLLRZBIDTRT-GTMAMOSYSA-N 435.616 4.889 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]2c2csc(C)n2)nnc1[C@]1(OC(C)C)CCOC1 1507936601 DMGDMAIUMPEYDP-OFNKIYASSA-N 445.633 4.781 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1507943816 MECOMRQAPXBFHA-NVQXNPDNSA-N 437.632 4.629 30 10 IJEE C=CCCOCCn1c(N2CCS[C@H](C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1507965731 IQPNKZGEAPPFEG-VQTJNVASSA-N 426.630 4.671 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(F)(F)F)CC1 1507966094 YINHYLPOIONQPF-UHFFFAOYSA-N 442.913 4.894 30 10 IJEE C=CCCOCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccccc1Cl 1507966658 VQMLDGZMMPOUDV-KRWDZBQOSA-N 434.878 4.711 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1c(CC)noc1C)C1CC1 1507987529 FNGOYLQDROFOHF-INIZCTEOSA-N 425.508 4.619 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H]1CC)C1CC1 1507991371 OEHHFGZRLJLVJN-MOPGFXCFSA-N 442.007 4.843 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCO1 1508008596 HJQHAUBNKJDQRY-KRWDZBQOSA-N 429.977 4.817 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@](C)(CC)C1 1508108798 LOXZKEDFSPUPNI-XMMPIXPASA-N 438.597 4.549 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C[C@H](C)C[C@@H](C)C1 1513200681 DNNJOJWHGKCEOJ-GBEXAXCTSA-N 436.648 4.926 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(C)C)CC2)CCC1 1520015069 CCEOWEHRFHYCSS-UHFFFAOYSA-N 439.629 4.887 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)n1 1520239118 LHBHAXVOSVWUTG-UHFFFAOYSA-N 443.938 4.685 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 1521544469 FJHURLBJCRQART-KRWDZBQOSA-N 431.492 4.840 30 10 IJEE C=CC1(CC(=O)N[C@@H](C(=O)OCC)c2c(C)nn(-c3ccc(F)cc3)c2C)CCCCC1 1524521816 TWZXZLRTNKAUJB-HSZRJFAPSA-N 441.547 4.875 30 10 IJEE C[C@@]1(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN(Cc2ccccc2)C1 1524774286 FPJHXBOIETWFNA-NDEPHWFRSA-N 439.559 4.779 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1525425963 DOZGUHYKGNRLJE-BTYIYWSLSA-N 440.462 4.555 30 10 IJEE C/C(=C/C1CCC(C)CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1526183710 JWCYHHBJBVSANF-VANYCGNGSA-N 445.629 4.991 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1F 1531189225 CIOIEYRMLIPNDK-UHFFFAOYSA-N 444.388 4.832 30 10 IJEE C=CCCSCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1531366200 WDJKOLFEPPMYRB-DNVCBOLYSA-N 426.985 4.593 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccc(F)cc2F)CC1 1531988492 IBBKIYFNRBKENW-UHFFFAOYSA-N 426.385 4.511 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC(C2CC2)C2CC2)c1 1532296590 IAEPQTBATWMYLW-UHFFFAOYSA-N 444.984 4.640 30 10 IJEE Cc1cc(F)ccc1N(CC#N)C(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 1534808618 COMQUUYALVILTR-CQSZACIVSA-N 444.557 4.640 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 1537096370 JLDJGEXZMIZWBL-IEBWSBKVSA-N 432.486 4.911 30 10 IJEE Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1ccc(Br)c(C#N)n1 1537244906 GTZXKUQZINIMIG-UHFFFAOYSA-N 435.253 4.678 30 10 IJEE C=CCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@H](Cc1ccccc1)C(=O)OCC 1537317673 ZVSZDBCHSFHALG-OAQYLSRUSA-N 432.545 4.884 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539052484 DUDFINRDHKRYDM-AABGKKOBSA-N 431.625 4.725 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOCC2(CCC2)C1 1539052585 GRSZONZVXLWJID-IBGZPJMESA-N 442.991 4.882 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC=C(COC)CC1 1539094094 KHUJSIYZGBMUTN-IBGZPJMESA-N 442.991 4.885 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCc2cccnc21 1539194524 CCYQYGIHKPYWJX-OAQYLSRUSA-N 443.595 4.739 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CCCS1 1539305310 WOSIGACLXCSWDI-IBGZPJMESA-N 449.443 4.518 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1539402387 BIPIJEBASSNDCL-FPOVZHCZSA-N 445.007 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)OCC 1539539771 YMTUAFUNCGVOCY-GAJHUEQPSA-N 430.980 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](c3cccc(Cl)c3)C2)nnc1C(C)(C)C 1539642506 QRFCKHAVNXJBCA-NRSPTQNISA-N 445.007 4.788 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2oncc2C1 1539905483 AUGYWQWPTAVGOP-UHFFFAOYSA-N 429.471 4.700 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nnc(CC)s1 1540048225 RXNRVWVRBAEANV-HNNXBMFYSA-N 447.008 4.773 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1nc(C(C)(C)C)cs1 1540064364 QGMVPGNAPSYLLP-UHFFFAOYSA-N 447.612 4.750 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCc1nccs1)C1CC1 1540098583 FVXLFCWUZSHDMT-UHFFFAOYSA-N 436.404 4.623 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCC[C@H]2C)C1 1540885186 DBGJDHSZAIQPTO-OFNKIYASSA-N 437.632 4.508 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1541410620 HAJIFSYRDGZEFM-FGSXEWAUSA-N 445.995 4.700 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 1555844901 DCDDFRMLMJVRMA-JXFKEZNVSA-N 439.610 4.883 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C)(C)c3cccc(C(F)(F)F)c3)n[nH]2)c1C 1556673294 STTHMMLTXXSAGW-UHFFFAOYSA-N 431.462 4.760 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 1557614495 DQUVDFBMWSWXGR-QFIPXVFZSA-N 441.314 4.907 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)(C#N)C1 1557620469 WYHFTMJXMUWWAI-SHQCIBLASA-N 443.547 4.622 30 10 IJEE COCCN(c1ncc(Br)cc1C#N)[C@H](C)c1cccc(C(F)(F)F)c1 1559085186 BRYLEAXGKNZOOH-GFCCVEGCSA-N 428.252 4.949 30 10 IJEE Cc1ccc(-c2nc(CCNC(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)co2)cc1 1562705625 GAOPLFXMYDUWQV-UHFFFAOYSA-N 430.386 4.785 30 10 IJEE COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)N1CCN(c2ccsc2C#N)CC1 1564110788 DDINEUUACMXYQA-GOSISDBHSA-N 447.004 4.901 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1583549919 RLQPRDFDJNIOHV-CTNGQTDRSA-N 440.927 4.501 30 10 IJEE COc1ccc(C)cc1-n1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)n1 1585624199 BOENDTYITZHXOO-INIZCTEOSA-N 442.441 4.763 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1587817719 DTQGKYRNRVFFBM-OALUTQOASA-N 444.526 4.603 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C(C)C)CC1 1588595172 NYSFXFPETRPUNK-GOSISDBHSA-N 426.630 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCCOCC1CC1 1589171617 MDHXZCAENZYIQE-HXUWFJFHSA-N 449.418 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1Cc1cnc(C)s1 1589192074 GECJLHVPHANRIY-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@@H]1C 1589243195 WTUDKIHEZIIBBT-KDYSTLNUSA-N 449.643 4.631 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1594732455 DLGSBPSWFFGQSN-IBGZPJMESA-N 441.620 4.931 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCC(F)(F)F)C1CC1 1595071023 VVMJLUXWGLBVHE-HZPDHXFCSA-N 432.556 4.647 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@H]1CCSC1(C)C 1595239857 VLKMOLZWSPPHOE-HXUWFJFHSA-N 434.613 4.502 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCCOC2)C1 1595845653 YGTYXYYUWQQJOT-QPPBQGQZSA-N 426.630 4.746 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(N2CCC(C)CC2)nc1 1596887217 XKHJIUVYNVCIMX-UHFFFAOYSA-N 430.346 4.898 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2n1 1611188699 XBWMGKRJIKDLBO-IIBYNOLFSA-N 443.334 4.687 30 10 IJEE CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)OC 1613483515 DTMDUYHKEFPUEJ-SFHVURJKSA-N 443.567 4.892 30 10 IJEE COc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2Cc2sc(C)nc2C)cc1 1619175967 BNLIMHVVTHDQPC-UHFFFAOYSA-N 438.601 4.842 30 10 IJEE N#Cc1cc(NC(=O)N2CCc3ccc(Br)cc3C2)ccc1OC(F)(F)F 1624210352 FOSFILCDWYDSME-UHFFFAOYSA-N 440.219 4.810 30 10 IJEE CCCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1632714633 AUTQVEJQSHUJOC-GOSISDBHSA-N 447.560 4.868 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Br)cc1OC 1638347478 GZIVNALGGIJNKM-SFHVURJKSA-N 430.342 4.870 30 10 IJEE C=C[C@H](CC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1)c1ccccc1 1638481887 HDYUPAULINVLCQ-UCFCWBNQSA-N 442.600 4.657 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O 1638807280 CKBDIZBBIXWOGC-GOSISDBHSA-N 443.341 4.622 30 10 IJEE C=CCn1c(SCC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)nc2ccccc21 1640609638 GFXXEZDDQJFWJH-UHFFFAOYSA-N 448.636 4.782 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 1642539975 GPBWPJQAIQFHME-DQEYMECFSA-N 428.532 4.958 30 10 IJEE N#Cc1ccc(NCC(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)nc1 1644404915 CZYYXXURFQOFRZ-UHFFFAOYSA-N 441.260 4.698 30 10 IJEE C#CCN(C(=O)[C@H](CC)Oc1ccccc1C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1644790286 UODGIQGMUIEGGU-QFIPXVFZSA-N 442.600 4.829 30 10 IJEE C=C(Br)CSc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C 1656179975 HQMLCGVRTVUBAJ-UHFFFAOYSA-N 431.783 4.866 30 10 IJEE N#Cc1ccc(Br)c(CNc2nc3ccccc3n2CCc2ccccn2)c1 1656875730 AXQFGUOOYYIHHS-UHFFFAOYSA-N 432.325 4.920 30 10 IJEE C#CCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@H]1CCCc2ccccc21 1660323202 AKSLBJVOWBIPMV-VWLOTQADSA-N 426.564 4.749 30 10 IJEE CNC(=O)N(C)c1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 1668636990 GXMBLKOTMNWKRH-UHFFFAOYSA-N 445.479 4.779 30 10 IJEE C#CCOc1ccccc1NC(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 1668938717 CPFQDFURRMFEKX-HHHXNRCGSA-N 426.516 4.567 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccn(-c3ccccc3Cl)n2)cc(OC)c1OC 1669361698 YCAOWMYGZOSHBU-UHFFFAOYSA-N 426.904 4.593 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c2ccccc2)cc1 1670296672 DWLURTYCBWWBHC-NRFANRHFSA-N 446.450 4.654 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc2oc(CCOC)nc2c1 1672210539 WLZCQFLLCOGSCK-UHFFFAOYSA-N 446.301 4.988 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCC)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1673485926 QVHOBXJAJRTWQI-UHFFFAOYSA-N 435.952 4.605 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1)c1ccc(Cl)cc1F 1678963848 AXISRJHDERPRQF-BFUOFWGJSA-N 426.879 4.826 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)Cc2ccc(Br)cc2)c1 1679280726 BQABQWSTBDDSDX-UXHICEINSA-N 444.373 4.951 30 10 IJEE C#C[C@@H](NC(=O)NCc1nc2cc(Br)ccc2n1CC)c1ccc(Cl)cc1 1682139879 OPGPBILZTLOSOS-MRXNPFEDSA-N 445.748 4.646 30 10 IJEE C#CCN(C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682329222 WCKQNVZTJRUUQW-YADHBBJMSA-N 439.600 4.757 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)ccc1OC 1684381041 CTVAZVZVVHUCEX-OXQOHEQNSA-N 429.467 4.531 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 1684894243 NVXHOOTVVOQONA-JOCHJYFZSA-N 425.960 4.905 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CCCC 1689855043 MZVOQNBGIAGLAQ-DENIHFKCSA-N 428.024 4.635 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1690177189 MPXXJONGHIPWPS-UHFFFAOYSA-N 440.922 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1ccnc(OC(F)F)c1 1690201771 XTAPAEGHWHWJKT-JOCHJYFZSA-N 443.885 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1690253335 OYVBIHVNMHNGEG-FOUBCARRSA-N 430.980 4.726 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1690382509 QZCFKMWEWKZHMY-UHFFFAOYSA-N 438.601 4.519 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)C(C)C)CC1 1690398961 KOQSWDVHOHOIFH-HXOBKFHXSA-N 432.996 4.881 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(F)cc2)CC1 1690417209 IUSZWDZSUKTNNY-FGZHOGPDSA-N 426.580 4.981 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690422481 PXNDDJXVLKDLQR-QFIPXVFZSA-N 448.398 4.713 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1690473725 FJBQMNQZAYAKPQ-LJQANCHMSA-N 436.560 4.810 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1690488636 RBJCJTONPKLKSC-UHFFFAOYSA-N 438.597 4.519 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1cccc(OC)c1)N1CCCC1)C1CC1 1690545367 PIBNMDQYLLOMFO-HSZRJFAPSA-N 437.632 4.867 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1)OC 1694262477 CJLPUKGNPXEIKI-IBGZPJMESA-N 440.350 4.899 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CCC)CCC1 1705557120 YESCQMSYDMWUFH-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCSCCn1c(-c2ccccn2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1705657969 XTLFKCAQNVQPKO-UHFFFAOYSA-N 443.576 4.815 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CC=CCC1 1705682610 GFUKCSLPUMDNEB-MRXNPFEDSA-N 447.377 4.663 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccco1 1705706979 CBSJRPMMGPCLAK-BZEYQNPTSA-N 442.604 4.968 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C/C=C\CC)CC1 1705781560 CFUBZHWEQMDVGD-HJWRWDBZSA-N 429.609 4.761 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1705851286 AOUBTRIDZMQQCA-HOTGVXAUSA-N 431.378 4.678 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCCC2)C1 1705929088 ZMZRVYKLFINACK-LJQANCHMSA-N 442.629 4.941 30 10 IJEE C[C@@H]1C[C@@H](C)CN(CCCn2c(CCCc3ccccc3)nnc2N2CCC(C#N)CC2)C1 1707974369 GLGVAAVMOGJIGD-DHIUTWEWSA-N 448.659 4.561 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CCCC2)CC1 1722339147 WXSASMDFYQNCDE-UHFFFAOYSA-N 449.643 4.767 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)[C@@H](C)CC 1722374902 DKPWBKRYQNXWMA-IBGZPJMESA-N 449.599 4.616 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1722387857 MTBDBBXXBWVIRS-RBUKOAKNSA-N 443.016 4.502 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCSC(C)C 1722389797 WMYCVUFBKRPMAE-UHFFFAOYSA-N 445.430 4.621 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1722421855 OSFMELWITBFGBV-MZKRTTBSSA-N 440.563 4.504 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccco1 1722481043 VTCGZVJAVQQPFG-AWEZNQCLSA-N 434.725 4.837 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1722531171 ORDJNWSBMXUDCS-UYAOXDASSA-N 428.577 4.570 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)C[C@H]1CCCOC1 1722553782 HRPQXDSFCYEPOG-LJQANCHMSA-N 432.996 4.904 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CC(F)(F)CO2)CC1 1722564677 SIGVIPGDNBTWBL-RBUKOAKNSA-N 432.515 4.616 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCC[C@H]2CC)CC1 1722567837 MUUCZTLWIIGSCS-LJQANCHMSA-N 429.559 4.568 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 1722569581 GCADFCLITXWYNP-DEOSSOPVSA-N 445.007 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC2(CCC2)C1 1722584851 YOLVQPZFDJAYAK-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=CCCCCn1c(N2C3CCC2(C)CC3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722611228 UUVCNXOAZOVRDG-SZKUSEGLSA-N 429.609 4.926 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1722625207 QFYIWFGGPASQNB-QGZVFWFLSA-N 439.510 4.643 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnn(CC(C)C)c1C 1722634761 RGIPPUXVJNEWDK-NRFANRHFSA-N 436.604 4.866 30 10 IJEE C=CCN(C)c1nnc(-c2cccnc2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1722636202 FGZVIGBPRXSNNX-UHFFFAOYSA-N 434.544 4.552 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC(C)(C)COCC)C1CC1 1722646649 KBVKCUCUFQJOPB-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nccnc1C)C1CC1 1722646813 LQVZEKPJYOOKGE-FQEVSTJZSA-N 432.572 4.531 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CC(CC)(CC)NC(=O)OC(C)(C)C)C1CC1 1722649585 VEPBQOKCPCEICY-IBGZPJMESA-N 447.624 4.758 30 10 IJEE C=CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)cc1C(F)(F)F)C1CC1 1722652206 GOBRFHWRKASIRD-UHFFFAOYSA-N 431.437 4.625 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCO[C@H]2C(=C)C)C1 1722710788 OJUBUCAJEUMVCB-YCAMKHIRSA-N 436.600 4.583 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2F)n1CCN1CCC[C@@H](C)C1 1723419104 BYTGFAIBONFTKP-HXUWFJFHSA-N 426.584 4.582 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccoc1C 1727713090 BLKSURKFVVOBTG-HSZRJFAPSA-N 432.572 4.619 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCc1csc(C(C)C)n1 1740631497 JTWVGGRAJGYWGY-JOCHJYFZSA-N 431.609 4.715 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1740720268 UGRCONRINVCVNS-JOCHJYFZSA-N 434.609 4.927 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC=C(C)C1 1740743232 PYPMSSHDVRGRIT-UHFFFAOYSA-N 426.318 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740752351 VTEIYYWFMGGVIW-YYWHXJBOSA-N 430.980 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1nc(C)c(C)s1 1740773986 IVUPVOYICNWIOA-HXUWFJFHSA-N 439.585 4.509 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](CC)C1 1740778875 WIXIODOOFKCVHO-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccccc1)CC1CCOCC1 1740784655 YIDIACGCAOQFGG-UHFFFAOYSA-N 437.613 4.643 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1740791663 OYFWBSFKUZZDIP-OFNKIYASSA-N 434.588 4.738 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1740792779 LUJZUIJMUSVIPN-KRWDZBQOSA-N 442.913 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740845674 XUEWIMJVUTVJDP-DEOSSOPVSA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1740849459 JXYHTDBSOSBFHC-OAQYLSRUSA-N 447.583 4.533 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCCC(=O)NC 1740870509 GVRWINMODCZWPT-UHFFFAOYSA-N 431.993 4.742 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCS1)C1CC1 1740913310 JPEZTEAYODCQSB-GOSISDBHSA-N 449.418 4.670 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)CCC 1740919514 IVXWUYUVNZOKGJ-XLGIIRLISA-N 440.632 4.940 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)CCCN2C 1740928663 PXEGCDVXGXUSHA-UHFFFAOYSA-N 434.975 4.603 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)cn1 1741327637 FKEMYFSBTXDXJW-IBGZPJMESA-N 447.612 4.510 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1741517519 GFFYGXVKARHEKE-GOSISDBHSA-N 440.558 4.586 30 10 IJEE CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1745558335 CJQZMXKSBOLUCY-UHFFFAOYSA-N 440.592 4.746 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCSC1 1747617383 FGQDWYGNJYTBNZ-PCCBWWKXSA-N 439.629 4.600 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)c1cccc(C)c1 1748750371 DPSFRWSLHPNHRS-FQEVSTJZSA-N 437.588 4.882 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1749043027 CHUDMHPWISCKES-FQEVSTJZSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CSCCS1 1749055515 KERCPKJITFEIHK-MIZPHKNDSA-N 426.655 4.661 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1749072172 HVWIEQMZFXNEOC-ISJBWFOZSA-N 425.665 4.759 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749089991 HMYXQGGKLGWFKU-CQSZACIVSA-N 431.334 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCc2cc(OC)ccc21 1749163541 MVGHTUUMSDVEIQ-JOCHJYFZSA-N 431.584 4.795 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCc2c(ccnc2O)C1)c1ccccc1 1749385692 SYWGICUGPJWXIH-HXUWFJFHSA-N 431.584 4.890 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 1749401747 DNPQBJRWBGSTPR-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1[C@H]2CCC[C@H]12 1749429056 DQWDXAYTKLISGX-QYZOEREBSA-N 429.609 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CC1(N2CCSCC2)CCCCC1 1749553077 FCZKFZMXJYRTPU-UHFFFAOYSA-N 445.702 4.846 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(COC)CCCCC2)C1 1749703046 BRWRHEDXIAAJGO-IBGZPJMESA-N 445.007 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H](c1cccs1)N1CCCC1 1760115926 LKJMUWAMAHFTAV-RBBKRZOGSA-N 433.625 4.534 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](CC)C1 1760130112 DKXWALQTMMABTP-FQEVSTJZSA-N 435.597 4.796 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@@H]1CC 1760138255 VDKGGRHCSMETDD-FPOVZHCZSA-N 443.636 4.821 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCO[C@H]1CCCC[C@@H]1C 1760240771 BPHKWMKMNRFOSY-CVDCTZTESA-N 435.547 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](C)(C#N)C1 1760324618 LQUVTLOXNMCUGY-PMWMKWCKSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760329451 ZBLJPZNDLRHDIG-SQJMNOBHSA-N 439.604 4.897 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(Cl)ccc1OC 1760333304 CUKHYPVPAGXOFP-HRAATJIYSA-N 441.963 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1760413372 GOBKGMFVFQTRPK-QFIPXVFZSA-N 431.584 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1760416044 SLHVAIUUZMINGH-UTKZUKDTSA-N 428.552 4.602 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1760476011 CXOZUIGUBBKLJU-HSZRJFAPSA-N 437.632 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCC(C)(C)C2)C1 1760536654 DPPRCVQKIKIGLG-OAQYLSRUSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)SC)C1 1760537774 QABCVRWRJKUSNN-SFHVURJKSA-N 437.613 4.725 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@@H]1CCCC[C@H]1C 1762845351 DCEINYNKCHHDAP-FUHIMQAGSA-N 447.530 4.880 30 10 IJEE COCC1(Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CCCCC1 1769335301 CSIYXWDSTGKFCO-DEOSSOPVSA-N 439.579 4.735 30 10 IJEE C=CCNC(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1861547908 XCRMFQALBFPQFW-OWSFEGEDSA-N 426.944 4.519 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(F)c1 1862413722 JUJNXCHPDQELOA-NRFANRHFSA-N 447.453 4.889 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC)c1 1862472240 HADVZMALWVSIHR-IBGZPJMESA-N 444.325 4.836 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC)cc1 1862528647 ALVBHSZFEAYNDM-LJQANCHMSA-N 444.325 4.836 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1OC 1862573221 XGGPASCNUBQDAV-QHCPKHFHSA-N 446.503 4.706 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1O 1862585162 PSDKDIVBYZQIDB-GOSISDBHSA-N 436.291 4.694 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1 1862633558 MTEKIIAXXXPQJZ-IBGZPJMESA-N 447.409 4.668 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1F 1862636792 OKSWURRHJZVKRO-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H](C)O)c1 1862656029 UTZIXWGEZRIWLV-XDHUDOTRSA-N 445.515 4.588 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1863216647 WSRMKNFAOBGVQU-VGSWGCGISA-N 429.520 4.728 30 10 IJEE Cc1cc(Br)cc2c(=O)c(C(=O)Nc3sc4c(c3C#N)CCCC4)c[nH]c12 1866461750 XJBHZKFIZKHDLD-UHFFFAOYSA-N 442.338 4.663 30 10 IJEE CC[C@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867014173 WDQUAZAZPAYTCJ-BVAGGSTKSA-N 433.552 4.764 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870137411 MFKSDGWWFMXJKK-UHFFFAOYSA-N 441.322 4.688 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1C 1870152849 OIWQQAWPVXKVRK-DTQAZKPQSA-N 449.514 4.987 30 10 IJEE C=CCOc1cn(Cc2ccc(F)cc2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870244452 PVLKKORFXOQZIT-UHFFFAOYSA-N 449.551 4.953 30 10 IJEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870540730 KVNDTVNCNWEVTP-VXKWHMMOSA-N 436.637 4.622 30 10 IJEE CC(C)COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871427725 QOAQRPCNRYAUCC-OCKHKDLRSA-N 431.282 4.643 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)cc(C)c3C2=O)o1 1871434264 KWEVWRKLMKYSPE-WNFQYIGGSA-N 449.415 4.866 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C)S(=O)(=O)CCCC 1871782545 GEHDUSSDQAPMSD-SFHVURJKSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871792844 RWTBAZBXVVLLOV-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC)S(=O)(=O)C1CC1 1871798088 MCUXQGGCTIBBGF-ACJLOTCBSA-N 433.401 4.717 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871873532 GSNKDUSBRYVKQG-AOMKIAJQSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871886291 SAVQHOZKASDIDK-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)CCCC 1872013379 VJMBDOLFOQHLQX-HXUWFJFHSA-N 440.675 4.662 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872504087 HZPWKOVMYJHUQR-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)cc2)cc1 1872885610 KFRVTLGSLKHKKI-QPJJXVBHSA-N 436.559 4.642 30 10 IJEE CCCCCCCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccccc2)C1=O 1873157315 CBEKHYYSVBZONM-UHFFFAOYSA-N 434.580 4.968 30 10 IJEE N#Cc1ccccc1Nc1[nH]c(=NCCc2ccc(F)cc2)nc2c1cnn2-c1ccccc1 1873479020 HZZCEQYZGSPTRZ-UHFFFAOYSA-N 449.493 4.646 30 10 IJEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874246994 GXDKZYPIIRKEPX-XQNSMLJCSA-N 437.525 4.667 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccc(Cl)cc1)Nc1nccs1 1874455118 BETWNOGXCMVIPJ-SSDVNMTOSA-N 446.989 4.659 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2)c(C)c1 1874463483 LRRZUFGSVUUAOA-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2C)cc(OC)c1O 1874488799 JZKVVZRZXMZPBF-ZMOGYAJESA-N 440.569 4.682 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(Cl)cc1 1874488838 LKIBFHNFVFIUGK-WYMPLXKRSA-N 445.951 4.882 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)N(CCC)CCC)nnc2C(C)C)c1 1874514672 FXHGVRBLEFLHFA-LFVJCYFKSA-N 445.633 4.813 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OCC(=O)N(CC)CC 1874639174 MGOCRVHXHLLIGY-DHZHZOJOSA-N 445.943 4.891 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3cncc(C)c3)c2)c(OC)c1OC 1874717321 LAJXDHUUCGXNIB-CSKARUKUSA-N 433.460 4.531 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875100708 JNWQYLPVEIQHLX-ZHACJKMWSA-N 427.453 4.850 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1 1875118182 PBHGMPCLKKQRNB-SAPNQHFASA-N 432.472 4.974 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c1 1875118288 WTNHYUUSUMVCOB-VZUCSPMQSA-N 448.387 4.627 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2F)c([N+](=O)[O-])c1 1875118795 PDRWHESNHHRVCK-ZRDIBKRKSA-N 435.407 4.787 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c(C)c1 1875146813 JCWHBUXDDNUQMK-UXBLZVDNSA-N 444.483 4.955 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3C(F)(F)F)CC2)cc1 1890023834 HUJKWBLOEIVUKN-UHFFFAOYSA-N 427.348 4.558 30 10 IJEE CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C1 1891125014 LBPXLKPNQMKDQV-QGZVFWFLSA-N 434.355 4.992 30 10 IJEE CN1CCN(C(=O)c2cccc(C(F)(F)F)c2C(F)(F)F)[C@@H](c2ccc(F)cc2)C1 1891125589 XJRPIVAMORRLKX-MRXNPFEDSA-N 434.355 4.992 30 10 IJEE O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 1891187810 ONSRXWXQZPEPPP-CQSZACIVSA-N 437.315 4.944 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccccc3CCc3ccccc3)C2)c1 1891434505 DCOHODNGJNUOBF-HSZRJFAPSA-N 425.532 4.670 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1922074909 RLSQHFJECZHETL-NZQKXSOJSA-N 439.552 4.827 30 10 IJEE CC1(C)C[C@@H]([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1938245721 ZXBVCCUDTJGXQY-KBPBESRZSA-N 435.487 4.714 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959031453 RRZLVDZBMTTYPW-RDPSFJRHSA-N 439.487 4.918 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(Cc2cc(Cl)ccc2I)C1 1980248207 LQEWFXHSTZEXPB-QGZVFWFLSA-N 446.716 4.638 30 10 IJEE CCCN[C@H](CC#C[Si](C)(C)C)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2014158847 PWABVWONVMYBSQ-HSZRJFAPSA-N 445.724 4.652 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1)[C@]1(C#N)CN(Cc2ccccc2)[C@]2(CCOC2)C1 2038667468 XVOHWEPQDQKVMW-CLJLJLNGSA-N 433.552 4.755 30 10 IJEE N#Cc1ccc(Nc2ncc(I)cc2Br)cc1Cl 2069528861 LZNUHACFVVTXPA-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE CC[C@H](c1ccc(C)c(C)c1)n1nc(C(F)(F)F)c(C#N)c1I 2079003288 XIYBAWWMCKFECA-CYBMUJFWSA-N 433.215 4.994 30 10 IJEE O=C(NC1CC1)c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Cl 2079245342 CCFPAQSFFXHKRQ-UHFFFAOYSA-N 429.723 4.654 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c1N 2080054998 YRSVOZPYRKYRKW-GFCCVEGCSA-N 427.320 4.674 30 10 IJEE CC(C)(C)OC(=O)NCc1ccccc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2094848952 JBDPLVVYIGFHRH-UHFFFAOYSA-N 438.377 4.623 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)CC1(C)C 2118199517 SYYVXFDUJNLKNF-MRXNPFEDSA-N 426.330 4.589 30 10 IJEE O=C(NC[C@H](NCc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F)OCc1ccccc1 2146529496 WJENPDPVMNPNGT-INIZCTEOSA-N 438.343 4.791 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCCC[C@H]1CN(Cc1ccc(Br)cc1C#N)C2 2174629238 FGNWHIHTFKWWHA-UWJYYQICSA-N 434.378 4.590 30 10 IJEE Cc1cc(Br)c(C(=O)N2C[C@H](C)CC[C@@H]2C=O)cc1NC(=O)OC(C)(C)C 2181019626 SFPJKXRXMRUABM-TZMCWYRMSA-N 439.350 4.544 30 10 IJEE CC(C)(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 2181148549 ZEUHVLLNTBVSSN-MRXNPFEDSA-N 438.366 4.979 30 10 IJEE OC1(C#Cc2sc(Br)c(Br)c2Br)CCCC1 2212193340 FOIDLIBPTKPPSB-UHFFFAOYSA-N 428.971 4.692 30 10 IJEE CCCN[C@@H](C#CC(C)(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2213312703 CGKGGDIVAATPMI-NVQXNPDNSA-N 427.633 4.574 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)c(C)c1Br 2221899307 ITOKYWFBTNPFAF-ZDUSSCGKSA-N 431.396 4.555 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2231056828 FKBBERHLVKJYQS-UHFFFAOYSA-N 444.381 4.756 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 2235725256 IVUZMUYONOIDKY-RTBURBONSA-N 437.422 4.964 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2255865951 MMOHHKYVEKGXSZ-UHFFFAOYSA-N 430.354 4.869 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2258054093 IPSZMPXOEMHHTL-HFEAXUOCSA-N 448.568 4.900 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2cccc(Br)c2)cs1 2278729594 FFLXRAPRWWSYSD-LRDDRELGSA-N 437.359 4.576 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2ccc(Br)cc2)CC12CCCC2 2296275344 ZKIKZGYTMRXUMD-KRWDZBQOSA-N 432.358 4.940 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 2296298866 ONZVFBYPAOEFNY-AABGKKOBSA-N 433.390 4.567 30 10 IJEE COc1ccc([C@@H](N)C#Cc2ccc(Br)cc2)c(NC(=O)OC(C)(C)C)c1 2296305076 OMPFXLMVMYXVKM-SFHVURJKSA-N 431.330 4.856 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1CC 2296307647 XEWNSPMKGJUGON-LRXVAGHRSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)c1cnc(NC(=O)OC(C)(C)C)o1 2296311003 QNQBOLCWINTFJM-MRXNPFEDSA-N 434.334 4.877 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2OC)cc1 2314430124 WYHKEROVPDDLFU-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2C=Cc2ccccc2)s1 2314457130 RKGFURCYSIVVPP-FQEVSTJZSA-N 430.529 4.879 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(C)c1Br 2320601348 NWLZWFUTJPDYPA-CQSZACIVSA-N 431.396 4.637 30 10 IJEE O=C(CSc1nncn1N=Cc1c[nH]c2cc(Cl)ccc12)Nc1cccc(Cl)c1 2321860896 KEKLKZTUJFVYOZ-UHFFFAOYSA-N 445.335 4.679 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2-c2ccco2)cc1OCc1ccccc1Cl 2321903757 KZNBFIRGIOPXNA-UHFFFAOYSA-N 440.912 4.950 30 10 IJEE CCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O 2324879706 YHLTVZAMHDNXPY-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)cc1OC 2325702353 HZOLSBZULXWQIF-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325718482 IATIEWZFAUYYKO-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC(=O)C(C)C)c(OC)cc2Br)cc1 2325718917 UPDWRIZFRGABDY-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1OCC(C)C 2326810091 FZDQAOZMRXYUGO-UHFFFAOYSA-N 425.514 4.704 30 10 IJEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1cccnc1 2329342867 OUVRHRXTVWMWTM-UHFFFAOYSA-N 433.512 4.704 30 10 IJEE COC(=O)c1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2)cc1 2330390601 LTLDKPMSYVTDBC-UHFFFAOYSA-N 448.573 4.892 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(F)cc1F 2330649394 WKNGGOOQKQTTCK-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2cccc(OC)c2)cc1 2330775864 ZGXJOGILJLVUBN-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cccc([N+](=O)[O-])c2)c1 2330961519 IWEUOLOBGZSNKU-FQEVSTJZSA-N 437.525 4.829 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccc(F)cc1F)Nc1ccccc1 2331020407 DPYXNQCHNMTORZ-UHFFFAOYSA-N 441.507 4.827 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(=O)CC 2331045288 WISSCHKLFWJTOO-UHFFFAOYSA-N 448.269 4.968 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)[C@H]1CCCO1 2331104181 GOCKMAYEFUVCKK-OAQYLSRUSA-N 428.431 4.682 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2)c1 2331169193 IRIVCWZUDQBOTN-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE N#Cc1cc(COc2cc(Br)cc(I)c2)ccc1F 2338719233 GARUWJVVCWUYBH-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE Cc1cc(COc2cc(Br)cc(I)c2)ccc1C#N 2338723204 UWICHCHZWAYAEU-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339574675 LKYLXATXANMRKN-CCEZHUSRSA-N 444.381 4.941 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2358671858 OKNNHSZRBFJOKK-POAQFYNOSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362709000 NNVMLTAZJDCLKR-PMACEKPBSA-N 435.406 4.667 30 10 IJEE O=C(O)CO[C@@H](C#Cc1cccs1)c1cc(Br)c(Br)s1 2363543214 BSURUTBIYZSZSA-JTQLQIEISA-N 436.146 4.529 30 10 IJEE C#CCCCC[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366702702 UUQGZVKBOQAWPB-LLVKDONJSA-N 426.703 4.732 30 10 IJEE COc1ncc(Br)c(C)c1COCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2368235954 FRBFAQMESZEBNE-UHFFFAOYSA-N 426.160 4.646 30 10 IJEE C#CC1(NCc2ccc(I)c(Br)c2)CC2(CCCC2)C1 2377361394 ZJYLWCCWVUGWJR-UHFFFAOYSA-N 444.154 4.870 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)c2C#N)C1 1937579 BLCOOCMWEJCZMD-AWEZNQCLSA-N 441.512 4.797 30 10 IJEE O=C1C=C(N2CCN(C3=CC(=O)C[C@@H](c4ccccc4)C3)CC2)C[C@H](c2ccccc2)C1 6242104 JKJSWJYMZUWECD-ZEQRLZLVSA-N 426.560 4.665 30 10 IJEE C=CCn1c(SCC(=O)N(C)Cc2ccc(CC)cc2)nc2cc(Cl)ccc2c1=O 18956509 AFEQODKELFMVSF-UHFFFAOYSA-N 441.984 4.549 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC)cc2)C3)cc1OC 20882859 PNOSEJXDXUCPED-FPOVZHCZSA-N 449.547 4.887 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1C#N 27143536 FKCZGZXKZSLMCB-UHFFFAOYSA-N 426.592 4.976 30 10 IJEE C/C(=N/Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 33553265 TWEJXWWFVUGFMF-QRVIBDJDSA-N 438.336 4.901 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)c1 34954719 WDBLWIJQIMRTKR-NYYWCZLTSA-N 436.435 4.967 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)N1C[C@@H](C)O[C@H](C)C1)n2Cc1c(F)cccc1F 35927867 KHHWUNSJAQBHPC-IAGOWNOFSA-N 440.490 4.782 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 39840014 HTZLZJZPWPCROR-GBXCKJPGSA-N 445.515 4.699 30 10 IJEE Cc1nn(-c2ccccc2)c2c1/C(=N/OC(=O)c1cc3ccccc3oc1=O)CC(C)(C)C2 39853036 PNEVRTDEWMRMDS-VFCFBJKWSA-N 441.487 4.821 30 10 IJEE COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)cc1 100361652 UQQOPFHJNANYPT-YMVPSHTBSA-N 445.544 4.856 30 10 IJEE CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)S/C1=N/c1ccc(C(=O)O)cc1 100936758 GWQQNELMLZFSIB-XQGMVTDFSA-N 446.912 4.679 30 10 IJEE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N\NC(=N)N)CC(C)(C)C2 101109261 UKWKCNNZMZFMRQ-CEUNXORHSA-N 445.523 4.792 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 102909735 ZPAVAXIBKZURSV-RKKARLDVSA-N 432.451 4.634 30 10 IJEE COc1ccc([C@@H]2/C(=C(O)\C=C/c3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1OC 103117372 JKFDOINLEPFGLP-WINOGGCTSA-N 441.483 4.886 30 10 IJEE CCc1cc(=O)[nH]c(N/N=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)n1 169895420 FPYLVIWWMLWBMC-MYKKPKGFSA-N 447.322 4.673 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(OC)c2)cc1 169937132 TZMFLTGKAAFUQP-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1C 169964598 BYUQJWYXBSNVGO-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 170059857 QRZAQQWAHDIZTA-NRFANRHFSA-N 439.895 4.980 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 170081564 QXSZQGYXIKTIRE-NRFANRHFSA-N 449.846 4.557 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2sccc2C)cc1 170106027 PINGLKVHCNQNNL-QGZVFWFLSA-N 440.546 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)cc1OC 170140123 HPMDKCXYUNKUTL-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccnc1)c1ccc2c(c1)CCCC2 170184824 XBFPDCVMXMGQCD-HSZRJFAPSA-N 428.463 4.882 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)c1 170206345 XZHMBOYJNXSKSP-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)c(OC)c1 170223386 HXONUXWVMYETPZ-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c1 170230932 JQDJCPZKWGXCHY-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE CCOc1cccc(/C=C2/Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccccc1OC 210085144 HGZVQQSETKQOJR-OEAKJJBVSA-N 446.455 4.938 30 10 IJEE Cc1ccccc1[C@H](C#N)C(=O)c1cc(Br)ccc1I 235795405 LSNPXUZBDDDAOB-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1=NNc1cccc(Br)c1 252595043 BXUQZFSVTROSOV-UHFFFAOYSA-N 440.326 4.763 30 10 IJEE N#Cc1ccc(NC(=O)Nc2cc(I)ccc2Br)cc1 312792716 PROJHFUFCYLPGH-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CS 382702815 PTNRGGDKXOZXQC-CRAIPNDOSA-N 436.371 4.740 30 10 IJEE C=C(COC(C)C)[C@@H](NCC)c1cc(I)ccc1Br 387571295 JHUCIEPQAAOPSC-OAHLLOKOSA-N 438.147 4.686 30 10 IJEE CN1CCC[C@@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1 465584856 HZWNKDOVWAQPNF-FXAWDEMLSA-N 435.515 4.501 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@](F)(c3ccccc3C)C2)nnc1-c1ccco1 501172572 HXIJXLLEWJCVRB-QHCPKHFHSA-N 440.544 4.612 30 10 IJEE C[C@@H](Oc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1)c1ccccc1 527363909 CYVFQPQBPJACOT-WDGBRCNXSA-N 442.519 4.608 30 10 IJEE C=CCC1([C@@H](Cc2sccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722938173 RPOKYCBPAYAXAK-MRXNPFEDSA-N 429.424 4.844 30 10 IJEE Cc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)c(C)n1-c1ccc2c(c1)OCO2 731563309 OWYPLCAQEUKJNZ-ZZXKWVIFSA-N 430.382 4.838 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@@H](C)c2ccc(C)cc2)C1=O 737414247 GVGMKTLHRQNEEP-BEFAXECRSA-N 429.973 4.520 30 10 IJEE COc1ccc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(Br)c1 739589579 BRDOCLHNOJYBSF-UHFFFAOYSA-N 427.323 4.988 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)ccc1OC 745820248 RTBMSSZAXCRQBC-NSISKUIASA-N 425.529 4.960 30 10 IJEE O=C1/C(=C/c2ccc(-n3cncn3)cc2)CC[C@H](C2CC2)/C1=C\c1ccc(-n2cncn2)cc1 749006503 XORJLPVURFKBSM-CBCXSGLGSA-N 448.530 4.704 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2F)[n+]2cc(O)cc(Cl)c2)cc1 762436605 CPPUNDVGEXUPJG-UHFFFAOYSA-O 426.880 4.667 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1=S 764961868 IKDVVPQALHHMRH-KNQAVFIVSA-N 436.581 4.599 30 10 IJEE CC(C)(C(=O)NCc1ccc(C#N)cc1F)[C@H](O)c1ccc(OCc2ccccc2)cc1 778709126 YWFZVQHLYXCSBU-XMMPIXPASA-N 432.495 4.652 30 10 IJEE CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccc1 787032764 GFERIOVBDRFVOJ-HCXYKTFWSA-N 430.426 4.665 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1 788548348 LCFNJDPQFCQVAO-UHFFFAOYSA-N 438.915 4.643 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 789455701 CZJFVZGAUGVPOS-YLJYHZDGSA-N 431.577 4.684 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1c(C)nn(C)c1C 800772177 RPXWVRIZLRRFQW-UHFFFAOYSA-N 433.585 4.550 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N[C@@H](CCC#N)c1ccccc1)C2 802834137 HWEIDVXNZWVWJS-HJSPTPHCSA-N 425.573 4.867 30 10 IJEE CC(=NNc1nc(SCC(=O)N[C@@H](C)c2ccccc2)n[nH]1)c1ccc2ccccc2c1 1084352288 VEGQTBWPPQQSIT-INIZCTEOSA-N 444.564 4.764 30 10 IJEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(C)c1C#N 1124063272 IFFOWZDQJZPNJN-QHCPKHFHSA-N 441.553 4.550 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)cc1 1125246000 LCWJHCKHCVRCMN-UHFFFAOYSA-N 433.733 4.689 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)CCCN1C(=O)OC(C)(C)C 1127109237 ZAACGCDGZQWYNT-AREMUKBSSA-N 444.535 4.757 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1csc(I)c1Br 1127519461 LTSXIRMPSRXMOL-QMMMGPOBSA-N 428.133 4.590 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)c1 1134626967 WIHXNFFDYOHPNT-DYESRHJHSA-N 442.581 4.838 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 1136269404 AEQUDUFVEPFYRF-IBGZPJMESA-N 443.931 4.913 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc(Br)cn2)Cc2cccs2)c1 1191960108 GQZUCZGMFKRANQ-UHFFFAOYSA-N 426.339 4.532 30 10 IJEE C=CCOc1c(Br)cc(CNCC(C)(C)N2CCCCC2)cc1OCC 1198942749 BGGMRDLCSBXAJR-UHFFFAOYSA-N 425.411 4.767 30 10 IJEE N#Cc1ccc(NC(=O)NCc2cc(F)ccc2Br)cc1Br 1205019685 DRMSLCHFNQXSTL-UHFFFAOYSA-N 427.071 4.544 30 10 IJEE C[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1233981018 BPVCQXHZEUMCOU-WDNCENIBSA-N 426.520 4.901 30 10 IJEE C#CCN(C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1252146164 AXGAYNURLJXWRP-JOCHJYFZSA-N 427.589 4.794 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1254996544 VPFJFZQAUPOEQF-JKSUJKDBSA-N 435.531 4.714 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(I)c(Cl)c2)c(OC)c1 1264050923 HAAHALJATCSATB-UHFFFAOYSA-N 428.653 4.901 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)CC)c1)c1ccc(C(F)(F)F)cc1 1266464149 ZVNWDMKYUHBNDF-IBGZPJMESA-N 425.472 4.936 30 10 IJEE COc1cc(C#N)ccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 1267665116 BBASOSSQCREZHZ-VFNWGFHPSA-N 443.906 4.686 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(-c2cccc(C#N)c2)cc1 1268921455 DLEWZSCROBYKEQ-HTAPYJJXSA-N 427.479 4.595 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1278997158 AYNOGNBIGRHYPW-CVDCTZTESA-N 446.657 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCC(F)(F)C1 1286277148 BKJIUXLSYDVJGN-RCCFBDPRSA-N 432.515 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccccc1F 1286303742 DQZHSWBPFUUJCG-WAOWUJCRSA-N 426.580 4.772 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286559510 XEAMHCCVXIRTEK-FUDKSRODSA-N 440.636 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1286583161 JWRRRCMDGLYSHO-AUSIDOKSSA-N 430.568 4.850 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)cc2OCCOC)CC1 1286659722 WRCNXNOGUSLERH-UHFFFAOYSA-N 426.605 4.651 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCC(C)C)CC1 1286662145 YIYWTFLOFCIHJT-UHFFFAOYSA-N 434.588 4.596 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1286701411 ZMWAHLGPTOJNIY-FQEVSTJZSA-N 425.621 4.725 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1286708020 MKTTYTXTJZSPEN-QZTJIDSGSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCc1nccnc1C 1286746753 FOSHRRBJQANBGI-UHFFFAOYSA-N 432.503 4.519 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1286750948 JXAPOJIYERAGPY-GMAHTHKFSA-N 438.664 4.855 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1286770421 FLOWUUHFOQWROI-ICSRJNTNSA-N 435.538 4.717 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1286779085 NIPVVLCAQAAKBZ-YLJYHZDGSA-N 428.602 4.544 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1287741220 HPHQJGXPGLTJMR-QHCPKHFHSA-N 426.653 4.509 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)N(C)C)C[C@@H]1C 1291154510 ADZXQGRWGQMOLF-NMMYMHLASA-N 434.632 4.810 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2sccc2C)c1 1299942303 BQGRIZMTMMZAAK-HSZRJFAPSA-N 437.569 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N[C@H](C)c1ccccc1 1300286269 HBIWOJRYCVUIJT-QZTJIDSGSA-N 436.991 4.581 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC(CC)(CC)SC 1300513154 SMKRBMOMJBXVST-UHFFFAOYSA-N 445.430 4.702 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)noc1C 1300602868 VCDYQEJZCGHZQW-SFHVURJKSA-N 441.963 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1300894516 DJBJIUDOMLPYHH-IFMALSPDSA-N 437.588 4.531 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1300937151 IKBVGVOAWADGLN-OAQYLSRUSA-N 436.991 4.670 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(F)(F)CC1 1301018970 DOTSJXWYQLFRDJ-UHFFFAOYSA-N 447.711 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1301151740 QCAMITLTWXSCSL-UHFFFAOYSA-N 444.645 4.522 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccnc(C(F)(F)F)c1 1301272316 FPMNFKQCDPGELL-UHFFFAOYSA-N 427.474 4.832 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301350282 VCLCJEIEDDGOEE-NBGIEHNGSA-N 442.579 4.636 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1301375446 NNERNBXEOWOLPO-HXUWFJFHSA-N 433.556 4.560 30 10 IJEE C=CCn1c(SCc2ccc([N+](=O)[O-])cc2Br)nc2ccccc2c1=O 1307256796 YCFNCQQOGXDCPX-UHFFFAOYSA-N 432.299 4.546 30 10 IJEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 1307322179 AALNWIUGNKTUPO-UHFFFAOYSA-N 429.863 4.905 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 1309384489 HFAYGXZDQAZMHD-UYAOXDASSA-N 433.371 4.559 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1NC(=O)NCc1cccc(C#N)c1 1310496882 DAXYRJFFHGNDMQ-UHFFFAOYSA-N 433.821 4.953 30 10 IJEE CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1310603988 FOYRYJJVLMGACN-OALUTQOASA-N 434.540 4.899 30 10 IJEE N#Cc1sc(NC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)nc1Cl 1310857822 GKDOYFCAFOFXLV-UHFFFAOYSA-N 448.939 4.902 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br)[C@@H]1CCCO1 1312541631 LAGZUXJROAOPBZ-UXHICEINSA-N 447.398 4.712 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N(CCC(F)(F)F)CC2CC2)CCCC1 1315268175 BJARBVRQTNDONV-UHFFFAOYSA-N 447.505 4.945 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)c1 1352620952 PMPJAAFOXOSDEK-UHFFFAOYSA-N 428.492 4.652 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCCc2ccc(F)cc2)c(C(=O)OCC)c1C 1353746671 RMZSEZKSQHGMPT-UHFFFAOYSA-N 433.501 4.677 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cc1 1356331167 QYMCZMBXFKKBRB-UHFFFAOYSA-N 433.386 4.680 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C)(COC)CC1 1358923173 DWLAWJCSBGGIAV-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1359124054 DMEMWOPXPLOEAB-FQEVSTJZSA-N 437.613 4.686 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1C(C)(C)C)c1ccccc1 1359195917 UHLUPKLOKYULLP-XZOQPEGZSA-N 447.631 4.985 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)CCCO1 1359197320 LDMRJSKELCMGOU-QPPBQGQZSA-N 426.561 4.542 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359210203 MLRCLBRHKPWMNC-CABCVRRESA-N 438.439 4.654 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1Cc1ccnc(OC(F)F)c1 1359260649 KLXZVDVBPVDZIM-UHFFFAOYSA-N 429.446 4.532 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1)C(C)C 1359264770 PBVMDONYUWGCNR-DHIUTWEWSA-N 444.023 4.516 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CCn1ccnc1C 1359275708 CGFIEOJMNMLGTQ-UHFFFAOYSA-N 436.947 4.632 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C 1359342532 ZWNRHBKPZRPAKS-GBESFXJTSA-N 449.665 4.547 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1435623065 WXRZRZYHDLPTLN-NRFANRHFSA-N 447.000 4.952 30 10 IJEE C=CC[C@@]1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1443269912 YIVQBSREHMCYHF-DFBJGRDBSA-N 429.605 4.578 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 1445699037 ISSWLVYXIKIJEL-UFYCRDLUSA-N 434.577 4.724 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCn1c(CC)nc2ccccc21 1451178681 MFZDASRVWNAEOI-UHFFFAOYSA-N 428.330 4.955 30 10 IJEE C=CC1(CC(=O)NCc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 1452197276 CPDFATJVMUVDBS-UHFFFAOYSA-N 443.769 4.532 30 10 IJEE C#CCN(C(=O)[C@@H](C)CCOc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1456443822 FDIILXHXBFCWCE-UWJYYQICSA-N 442.353 4.840 30 10 IJEE N[C@](C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)(c1cccc(F)c1)C(F)(F)F 1457809071 HOSZAKHHKZELNS-KUHUBIRLSA-N 448.382 4.967 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)C(F)(F)F)cc1 1460041162 LFFKZHNFPQBKAO-NRFANRHFSA-N 444.409 4.896 30 10 IJEE C#C[C@@H](N[C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1F 1462225111 LYYOOFKDCFAKMD-FXAWDEMLSA-N 436.955 4.692 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)ccc1OCC 1464637752 KSADELOXRDWDTB-LJQANCHMSA-N 448.382 4.549 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cc(Br)ccc3O)cc2F)c1 1464759342 GXQGPAHJOBMEFG-UHFFFAOYSA-N 441.256 4.997 30 10 IJEE CC(C)(C)c1csc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1C#N 1466646409 BOTXFUMESPEIAY-LJQANCHMSA-N 447.004 4.766 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(CCCC)cc3)ccc2C)C1 1469519421 LFRNAAQVXZYELO-HXUWFJFHSA-N 438.593 4.624 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1 1470231234 ZIDNMRHOWSSDTP-UHFFFAOYSA-N 433.552 4.563 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3ccccc3)[C@H]2C)n(Cc2ccccc2)c1C 1473212076 DFLQWCRGWVJQSG-QPPBQGQZSA-N 426.564 4.841 30 10 IJEE C#CCN(Cc1nc2ccc(Cl)cc2n1C)[C@H]1CCOc2ccc(Br)cc21 1474385430 DYNWCTLEPXMRKE-SFHVURJKSA-N 444.760 4.948 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)cc1 1475858631 HTJOCRSSLFADIH-LJQANCHMSA-N 440.341 4.571 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CCc3ccccn3)Cc3ccc(OC)cc3)cc2n1 1477121711 ZWDBGVQOPQQCKQ-UHFFFAOYSA-N 441.535 4.903 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1507517365 HCQGPSPERGUTFI-KIVTUJJHSA-N 445.611 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC1CC(OC(C)(C)C)C1 1507518758 CITVEDDPQHWNJC-LWEYNCJUSA-N 446.599 4.777 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1507542610 LXMZEPAYLWWKLD-DCLXLUIPSA-N 436.600 4.594 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H]1c1nc2ccccc2s1 1507752909 GEXAKHKTPPRBPA-SFHVURJKSA-N 425.627 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC(C)(C)N1CCc2ccccc2C1 1507815319 GGVUYSAXWCEPHG-UHFFFAOYSA-N 430.600 4.579 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1507856826 DYGWUKWZTOSAFA-VQTJNVASSA-N 444.023 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2ccsc2)CC1 1507918742 INWXOEUZDGWDJQ-UHFFFAOYSA-N 427.662 4.997 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1507923967 GOSZWKFZINTKMK-HSZRJFAPSA-N 430.600 4.621 30 10 IJEE C=CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cc(Br)c[nH]1 1507952811 CEXIDPNAFYMYSX-CQSZACIVSA-N 438.280 4.522 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1C1CCCCC1 1507982074 QRQCCKYFYZNCPK-LJQANCHMSA-N 429.559 4.566 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1CC(=C)Br 1508032868 IQSBYEKIFSISJH-UHFFFAOYSA-N 441.373 4.914 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC1(C)C 1508038085 QDUYWAQYLOZUNG-KRWDZBQOSA-N 433.394 4.701 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1508060564 ABEWNDIYFOBPEP-CPJSRVTESA-N 441.620 4.905 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCS2)c1 1510704466 GERPEJSWQNKAGG-RTBURBONSA-N 427.618 4.923 30 10 IJEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)CCOC1(C)C 1512573277 CECUJHPNGQLJBV-SFHVURJKSA-N 437.588 4.559 30 10 IJEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)CCOC1(C)C 1512574870 GDQMKNCUBXUCBW-ICSRJNTNSA-N 437.588 4.559 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)C3(c4cccc(Cl)c4)CCCCC3)C2=O)cc1 1515371024 FYPZASBLEXBXDT-QFIPXVFZSA-N 435.955 4.725 30 10 IJEE N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 1516661975 HFLGRQNYZZQRMD-DEOSSOPVSA-N 449.507 4.976 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCC1(F)F 1521154636 HFXMRITYBPUKFW-IBGZPJMESA-N 431.506 4.964 30 10 IJEE N#Cc1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1Br 1525920276 HBWPYIZJZKAJIU-UHFFFAOYSA-N 443.251 4.526 30 10 IJEE C#CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 1529313602 SMAGSAFZPYDYKC-UHFFFAOYSA-N 440.528 4.677 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1OC 1529385878 FHTIFYNTGOWSNK-RXERPNITSA-N 446.469 4.687 30 10 IJEE N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)n1 1529720417 BVBXXJSJFYGDRY-UHFFFAOYSA-N 446.923 4.585 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)CCCN1C(=O)OC(C)(C)C 1529841204 ISEKHLCQVIMCMK-DZRGJMJISA-N 428.573 4.629 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1531952004 DNCCXLCTXLYTER-RTBURBONSA-N 430.595 4.559 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc3cc(Br)cnc3n2)cc1OC 1535350826 CSWRWDZLUYCBLP-WEVVVXLNSA-N 440.297 4.618 30 10 IJEE Cc1ccc(-c2cc(C(=O)N(C)c3snc(C)c3C#N)c3cnn(C(C)C)c3n2)s1 1535447665 BDQIRNSBLOBYGC-UHFFFAOYSA-N 436.566 4.962 30 10 IJEE C=CCC[C@H](C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC)c1ccccc1 1536267557 WXYRXOOPPHMMGH-INIZCTEOSA-N 427.444 4.677 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(Br)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1538618159 DLSWORIOMIFELC-FQEVSTJZSA-N 444.369 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539909805 QACBMZKMSWRJLX-UHFFFAOYSA-N 444.023 4.896 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1539959211 HMSOLMSDRWVMSC-UHFFFAOYSA-N 431.540 4.501 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1OC 1540136929 MYGCNOLPAIHDFB-NFBKMPQASA-N 435.547 4.795 30 10 IJEE C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1)N1CCCCC1 1541819243 ATVCNGBSRWIRMN-PMACEKPBSA-N 432.572 4.872 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C)C(=O)OCC 1544345692 VZPGYGQJFWXBHD-AWEZNQCLSA-N 446.878 4.941 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN(CC)CC)C1 1546633559 GCWOSUORVGBNQQ-ZDXQCDESSA-N 434.632 4.811 30 10 IJEE C=C(CNC(=O)Nc1nc2ccc(I)cc2s1)c1ccccc1 1562665674 ATLOAVQISAKGLK-UHFFFAOYSA-N 435.290 4.736 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2)c1ccc(Br)cc1 1562896649 VJVSKDCRWRFXFB-SFHVURJKSA-N 434.284 4.526 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc2cc(Cl)ccc2s1 1566277489 YSFQGMXDRIDMOA-AWEZNQCLSA-N 444.384 4.644 30 10 IJEE C=CC[C@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1568313800 YUSISRHEKFDMJN-MRXNPFEDSA-N 427.342 4.583 30 10 IJEE C#Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)cc1 1569258358 XPWYHEFPGKEIGK-IBGZPJMESA-N 432.442 4.569 30 10 IJEE COC1(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)CCN(C(=O)OC(C)(C)C)CC1 1584028417 AMZHKTZYUBICMB-HUUCEWRRSA-N 447.601 4.660 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC)C(C)(C)C 1584732856 HAPPHRRRSZVBFX-VTZPFEBOSA-N 432.564 4.652 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnc(C(=O)OC)c1)c1ccc(C)c(C)c1 1585493303 ULQBNZAZZGOREL-UHFFFAOYSA-N 430.504 4.897 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)CSC 1586452233 WUZKSMBPZOHKSB-HXOBKFHXSA-N 438.593 4.728 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1sc(C)nc1C 1587580724 RQKFNKOEJLCEEB-CABCVRRESA-N 439.654 4.905 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 1587661405 OVSFARSBFFXXNJ-WMZOPIPTSA-N 443.371 4.746 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC=CCC1 1588200137 DRYOUPHWTPVCKR-KRWDZBQOSA-N 441.348 4.666 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1589515490 OERKQPJJTGVKFV-OXQOHEQNSA-N 429.927 4.683 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C1CC(C(C)(C)C)C1 1589608675 LMSYTTPQKQBHEU-UHFFFAOYSA-N 430.618 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CC(F)(F)CO1 1589608971 SJHWDGGBPMZNTP-WBVHZDCISA-N 436.572 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1sccc1C 1589626300 VMXUQRSFXNVKEK-UHFFFAOYSA-N 426.586 4.977 30 10 IJEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1594783896 LILALBHAAFAIKD-GMAHTHKFSA-N 438.616 4.835 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Br)c(O)c1 1610176838 CIIBUKNSGZMSAU-UHFFFAOYSA-N 443.110 4.885 30 10 IJEE C=CC[C@]1(C(=O)N=[S@](C)(=O)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1611350608 CSXSEJLKFLZQNB-PIIWDFAUSA-N 426.966 4.669 30 10 IJEE C=CCn1c(SCCN(C#N)CC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1613220792 GHOZDMJPRDWDEG-UHFFFAOYSA-N 428.558 4.654 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)c1 1615757697 PWOMNEWTRJLVRW-UHFFFAOYSA-N 444.362 4.578 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N 1616622667 AVSTZEQQQSLCBL-ZDUSSCGKSA-N 440.411 4.570 30 10 IJEE Cc1c(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)sc2ccc(C#N)cc12 1621605159 FHTMMCRQYSMZOE-INIZCTEOSA-N 432.592 4.513 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)c1 1625562938 DSRZXMNRYSTBES-UHFFFAOYSA-N 442.924 4.958 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2csc(C)n2)cc1 1626150345 KTQBFECXSVNXLW-LJQANCHMSA-N 429.586 4.984 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(Nc3ccccc3)nc2)nnc1-c1ccco1 1627125554 HDIZEXVKZSIXMP-UHFFFAOYSA-N 446.536 4.984 30 10 IJEE O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H](F)CC1CCCCC1 1629967516 FSBDFNIBAVZQHL-NVXWUHKLSA-N 429.376 4.880 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1631748175 HQTDLQAEPVGYMD-QFIPXVFZSA-N 431.502 4.720 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@@H](C)C2)c1 1633274536 VSIPXBACDZCKSU-WWEVIYMKSA-N 440.609 4.757 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 1633467377 UGDBBQWRHGIFJJ-UZLBHIALSA-N 433.474 4.717 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CCCC1(C)C 1635479180 XQJOKRGJODJWAG-LAUBAEHRSA-N 428.527 4.919 30 10 IJEE C=C[C@@H](C(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 1636891959 TXJQEMLNBUJQQZ-HHHXNRCGSA-N 440.587 4.907 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)c(Cl)c1 1639821800 MCEDUESNQIPZAY-UHFFFAOYSA-N 426.900 4.703 30 10 IJEE C=CCn1c(SCc2cncc(C(=O)OC)c2)nc2scc(-c3ccccc3)c2c1=O 1640693391 XDCMXMWCCGGRSA-UHFFFAOYSA-N 449.557 4.785 30 10 IJEE N#Cc1ccc([C@H](O)CN2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 1644504195 GJCYLEVCDCJXIR-FTJBHMTQSA-N 431.967 4.652 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(=O)c2cc3ccccc3s2)cc1C 1650704478 FTYCSDQWODNSSL-UHFFFAOYSA-N 442.544 4.908 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1651254238 FNPGVRDYUJJYLJ-MRXNPFEDSA-N 439.364 4.893 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 1652464733 HMKBCWDUNJPPNK-MRXNPFEDSA-N 434.443 4.551 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 1659603740 BRCXRLMSHGJGQA-INIZCTEOSA-N 430.907 4.986 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 1666357942 YUPPCXPUSMQOMG-INIZCTEOSA-N 439.320 4.603 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(Oc2ccc(F)c(C)c2)cc1Cl)[C@@H]1CCCO1 1671889739 MYFGPCZULJJXQN-VXKWHMMOSA-N 430.907 4.902 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(N(CC)CC)nc1 1672708471 NNSVDPHHGVVEOQ-UHFFFAOYSA-N 433.350 4.577 30 10 IJEE C=CC(C)(C)CNC(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1672782511 QCQYFPURXDNNQR-GXDHUFHOSA-N 442.368 4.541 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 1678937282 CAVGKIZAYKEFNX-FQEVSTJZSA-N 445.332 4.941 30 10 IJEE C#CCN(C(=O)NCc1ccc(Oc2cccc3ccccc23)cc1)C1CCN(C)CC1 1681748182 AUBJAMQVJYHDQC-UHFFFAOYSA-N 427.548 4.871 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](C)Cc1ccc(OCC)cc1)c1ccc(Br)cc1 1683158425 JNBSIANJBSFVCY-IIBYNOLFSA-N 429.358 4.700 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CCCC1 1687039750 SHJFNOUPAIFQQZ-UHFFFAOYSA-N 437.506 4.699 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F 1687093695 ZLSKYLYWCKZJBP-LBPRGKRZSA-N 443.288 4.662 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1690158210 ZWTOVSMTLFZTMH-UHFFFAOYSA-N 449.624 4.562 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1690232112 ZKNSMKLHRLUTBW-UHFFFAOYSA-N 443.311 4.973 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(O)cc1 1690258562 KNLTXJHFZDIJLD-UHFFFAOYSA-N 433.375 4.925 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1690301651 XPFBCGUQFVPCTB-IECBHUPTSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N(C)Cc1cnc(C)s1 1690439904 SFYGGTRNWUBCKD-UHFFFAOYSA-N 429.565 5.000 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCNc1ccccn1 1690516369 GPEIDTVOBBWCCZ-UHFFFAOYSA-N 441.583 4.872 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1690519524 MSCVAHBMNRQSCB-GOSISDBHSA-N 433.984 4.770 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CCSC(F)(F)F 1690565651 OUQMPEIXRNDQBV-UHFFFAOYSA-N 433.503 4.710 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2ccoc2)C1 1690712431 VQIMQHGHXIPHER-OAQYLSRUSA-N 436.556 4.712 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)CC[C@H]1C 1690733843 ONKBQZLXAYJTID-VQIMIIECSA-N 427.618 4.691 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(C(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1690992954 CFAKICQPKXVZJQ-KRWDZBQOSA-N 440.592 4.761 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705524575 OZWWNHGNJUOSLO-DEOSSOPVSA-N 430.600 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCCC(C)(C)C1 1705719244 QLCFUZQMFIWZRZ-UHFFFAOYSA-N 434.632 4.875 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705737678 XSYMHVRQVPPKQT-QFIPXVFZSA-N 445.696 4.940 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(C(=O)OC)CC2)nnc1C1(c2ccccc2)CCC1 1705802155 CQUHXMWUVHFUHN-UHFFFAOYSA-N 436.600 4.740 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1705813331 DFTWCYWIKOQPAS-HNNXBMFYSA-N 449.393 4.686 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CSc2ccccc21 1705836521 WFMBQPCXXVMEMX-CYBMUJFWSA-N 430.375 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1705870885 PRACRIZEGJZYCJ-HSZRJFAPSA-N 442.567 4.815 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1 1705879226 RBXLPYOSIOZSAC-LJQANCHMSA-N 439.991 4.768 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)C1 1706434957 BAFKHOPKTDTSNA-GOSISDBHSA-N 449.628 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCC1CC(OC(C)(C)C)C1 1722302175 GTIZGEDVARAWCY-ZJOBEGKPSA-N 438.616 4.916 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1cc(Br)cs1 1722406864 XNGYFZFCBSMIQM-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722548551 KFRFZGXRXOCGCQ-SJORKVTESA-N 437.769 4.608 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1722574632 OOWNYULNCKVQON-XFAGBWLFSA-N 428.552 4.511 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1722599607 YIWMGSIOKWVOGA-INIZCTEOSA-N 440.498 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC1(CC(C)C)CC1 1722661168 VOHUZKKJUQTHKE-UHFFFAOYSA-N 427.618 4.595 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCCOC(F)(F)F 1722665130 GOOOOVPWELHYFL-UHFFFAOYSA-N 445.283 4.813 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1722669833 OFERGLHEXOSITC-UNMCSNQZSA-N 434.613 4.663 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCSC(F)(F)F 1722678411 QBWUAXJRLBZGDI-UHFFFAOYSA-N 438.878 4.629 30 10 IJEE C=CCn1c(N(C)CCc2ccc(Cl)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722689471 RUKVPCYYGLLJNX-IZAXUBKRSA-N 445.995 4.567 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2NC(=O)OC(C)(C)C)C1 1722709097 JNHCIMWIIMSACH-IBGZPJMESA-N 441.576 4.578 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722732809 PNGBHWZPTMRJNM-WMQCIHAUSA-N 446.592 4.624 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCCN(Cc3ccccc3)C2)o1 1724287362 DLDUVZYXZYFEAN-NZQKXSOJSA-N 446.599 4.745 30 10 IJEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1 1726541415 IETYEMOGAYWKFY-KSFYIVLOSA-N 447.505 4.537 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CC[C@@H](C)C2)c1 1740564807 YFWDFAQUPYOFOO-KNQAVFIVSA-N 433.600 4.503 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1740582911 SLASNMHBPRLEBZ-UHFFFAOYSA-N 439.279 4.820 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1740590347 CQAGPTSTCALMRY-UTKZUKDTSA-N 441.000 4.964 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H](OC)C(F)(F)F 1740665211 UBHFPMNNGFGSCD-HNNXBMFYSA-N 435.277 4.679 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740673325 PMBSPEIMEZNVLM-YADARESESA-N 433.600 4.651 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H](C)CC 1740712248 AWOCYZFFPJYYEW-OAHLLOKOSA-N 435.435 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCO[C@@H]1C(C)C 1740768536 LYUMEVRBPBBRSF-NZQKXSOJSA-N 434.588 4.799 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1740785144 LZFRJZRUWVATAG-IBGZPJMESA-N 434.506 4.872 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(F)cn2)CC1 1740833379 OLTWLUJRWYLVET-MRXNPFEDSA-N 425.483 4.542 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1oc(CCC)nc1C 1740894724 FNEVVCMBDIKPIE-UHFFFAOYSA-N 448.340 4.766 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(C#N)o1)C1CC1 1740907573 XFVGMLBMXMWUQH-UHFFFAOYSA-N 438.329 4.684 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CCc1cccnc1 1740921954 PCYVKFHIEXUYCW-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1Cc1cccc(O)c1 1740924389 PKYJOBSYJODOTQ-UHFFFAOYSA-N 437.594 4.642 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CCCS1 1748650836 FYWVMTDZSQJOSH-SJKOYZFVSA-N 425.421 4.513 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(C)C)CC1 1748701253 DQUJJXOBWXYNIJ-UHFFFAOYSA-N 448.640 4.711 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1748721238 FJHRUYCVMXUVRW-DEOSSOPVSA-N 429.008 4.967 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](c2ccco2)C1 1748735663 VGNCQUIBCWIKGW-OAHLLOKOSA-N 443.320 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N 1749122578 YAAYPQMYUWHDLE-LZNRXBQRSA-N 439.629 4.853 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1749395876 RWIFKZBNGAAMAJ-UHFFFAOYSA-N 435.616 4.920 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749402822 SRFCJUVUFDDBJJ-WOJBJXKFSA-N 447.624 4.712 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCCN(C(C)(C)C)CC1 1749407282 ZLTSBZXWPNGYBE-UHFFFAOYSA-N 425.621 4.832 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1749640350 REJAGJGQDXLAGW-HSZRJFAPSA-N 437.632 4.752 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cc(Cl)ccc2OC(F)F)C1 1749693992 NKPBHAJBJFMIFD-MRXNPFEDSA-N 440.922 4.660 30 10 IJEE C=CCSCCn1c(N2CC[C@@H](C)[C@@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1749763616 DOERMFDFVOQZQB-CTNGQTDRSA-N 426.630 4.529 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCN(CC)C1 1760105860 HNZPAEYBWXUXMU-ZWKOTPCHSA-N 437.588 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1cc(C(F)(F)F)ccn1 1760116594 QWPZQJORMKMRPH-OAHLLOKOSA-N 447.892 4.637 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760319968 VPZMXZBHPHOMAA-RFZJPIJTSA-N 448.970 4.580 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1 1760362990 BKPYYILPGREJSD-UHFFFAOYSA-N 449.643 4.809 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nc(C)c(C)s2)CC1 1760382587 UKBOQDQNUBVZFY-MRXNPFEDSA-N 427.549 4.835 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2scnc2C)CC1 1760405413 TTXMILJHQWDWOC-UHFFFAOYSA-N 444.004 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(C)CC1 1760407348 AOJQHNDNPBSICV-UHFFFAOYSA-N 427.980 4.620 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOCC1 1760422403 GUKUCMSMBYKIAQ-UHFFFAOYSA-N 425.758 4.554 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1760426293 MRFJFAAVABWADM-UHFFFAOYSA-N 446.555 4.569 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC2(CCCCC2)C1 1760431337 LSYLJHUQQYBQCL-UHFFFAOYSA-N 437.588 4.653 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1nc(C(F)(F)F)cs1 1760459836 GZAQYJLKZIZICL-UHFFFAOYSA-N 430.459 4.639 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1CCC 1760483316 MIFUWDYBCOUDMH-QFIPXVFZSA-N 448.590 4.855 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)CCCC1 1768233818 CGNJLFJDXLBUCQ-UYAOXDASSA-N 425.577 4.733 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCC1(C)C 1769818897 DXZSUBSBLNXXAH-QHCPKHFHSA-N 444.583 4.691 30 10 IJEE NC(=S)N/N=C\c1cn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc2c(c1)CCCC2 1857806728 HIRYVFZYJOHVNF-GATIEOLUSA-N 444.391 4.892 30 10 IJEE Cc1cc(=O)c(OCc2ccc(Br)cc2F)cn1Cc1cccc(C#N)c1 1857915764 NZDUJNKNDFPFJW-UHFFFAOYSA-N 427.273 4.557 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSC(C)C 1860927358 BKLPXSGEZUVAMX-QFIPXVFZSA-N 431.646 4.814 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(-c2ccc(OC)cc2)n1 1862344074 WWIRHPQXVZURDK-UHFFFAOYSA-N 427.426 4.779 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1c(Cl)cccc1Cl)c1ccccc1Cl 1862443198 JUERFTMKVWMEFB-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1862446032 JMJPWIDMTLKWDI-IBGZPJMESA-N 434.319 4.998 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1F 1862506293 LTQYXQMAWPLMHA-OAQYLSRUSA-N 438.455 4.953 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2Cl)cc1 1862557369 LAYOJYWVMGGXHE-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862618020 NDAQOZXMLLONEO-FYYLOGMGSA-N 449.547 4.750 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)ccc1O 1862718371 YZBMDHXMHSMLLD-QHCPKHFHSA-N 431.488 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 1862725129 BMULTZLFEUAKMG-QFIPXVFZSA-N 433.891 4.578 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863086686 NOYDPVCUBMWDIQ-UHFFFAOYSA-N 425.463 4.965 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(Br)cc2C)=C(c2ccc(F)cc2)C1=O 1863152162 OYWQSTYPFDIDNP-UHFFFAOYSA-N 429.289 4.583 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)cc1 1863173187 GNIJLTXNNUTWOW-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(F)cc2)C1=O 1863507728 DGPREAZQGJMGMS-UHFFFAOYSA-N 448.542 4.932 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1cccnc1 1864583028 OBUVOQWBPIUYPT-NRFANRHFSA-N 439.604 4.558 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1C 1870145868 SUIMSYLDQGZYRX-UHFFFAOYSA-N 431.540 4.851 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2CCCCCC2)cc1=O 1870387185 TYNRPOWMCDNTOX-VWLOTQADSA-N 435.612 4.626 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN1CC(O)C1 1870465443 ZYCUSLUHOYXHJO-UHFFFAOYSA-N 426.601 4.527 30 10 IJEE O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(C2CCN(Cc3ccccc3)CC2)CO1 1871345155 VATRWKARDHGLCP-MYYYXRDXSA-N 442.515 4.712 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4cccc(C)c4C)CC3)C2=O)o1 1871397592 AYGBMRJFJBWZNL-MYYYXRDXSA-N 444.531 4.849 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O)C(=O)O 1871423814 YSPOZOCCDWIFFZ-VFAFIFLJSA-N 426.465 4.651 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)C1CC1 1871816350 KADCDWHPAYIHIF-GOSISDBHSA-N 432.508 4.573 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(OC)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872332128 MTQCVCOWLYOYAL-UZUQRXQVSA-N 444.597 4.542 30 10 IJEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(N(CC)CCc3ccncc3)ncnc21 1873561924 FXSBMROMSPAUSW-UHFFFAOYSA-N 448.615 4.734 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C12CC3CC(CC(C3)C1)C2 1873710352 BATOQDXMRJQRIE-UHFFFAOYSA-N 435.593 4.592 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(F)c1 1874232399 LOSWMJPOGGZIEA-CVKSISIWSA-N 448.523 4.503 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874264743 NAROMXFIIQJGMM-YDZHTSKRSA-N 446.960 4.999 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1cccc(OC)c1OC 1874375941 WJNSJQKDRLIQTN-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccs1 1874437195 OSIQXVUSJJTZQA-WSDLNYQXSA-N 431.562 4.680 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)cc1OC 1874444207 UHVXRNCDPULPNR-LSCMLXDISA-N 438.553 4.630 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1CCCO1 1874450352 ZSJLJXVJQHKLFZ-KCDOPAPYSA-N 442.928 4.656 30 10 IJEE CCOc1cc(/C=N/n2c(SCC)nnc2C2CCCC2)cc(Br)c1O 1874455453 SSFJOLRAMIZYGP-RGVLZGJSSA-N 439.379 4.797 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccccc1O 1874474861 WKLPDCWRMZWMIG-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccccc1F 1874480280 PYJBCOPRJHNATH-SCELWYEFSA-N 439.560 4.612 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)c1 1874495232 AUAIVSPFXAEUSB-DHRITJCHSA-N 449.580 4.789 30 10 IJEE COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1ccccc1C 1874571381 KJQGIZGASFFTNJ-BUHFOSPRSA-N 446.459 4.825 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 1874602198 ZBBYBVBKTAGXMQ-CMDGGOBGSA-N 447.871 4.875 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OCC(=O)OC 1874626525 JDXSVJBHMSSFNA-VQHVLOKHSA-N 432.900 4.812 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c1 1874630630 LUWHFRZHNYSRIR-UKTHLTGXSA-N 449.503 4.668 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)[C@H]1CCCO1 1874715097 CXYIMKGWFNZQMI-CPSHHHPTSA-N 430.884 4.646 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875152059 KQYRZWSZVGAKGI-SOFGYWHQSA-N 445.443 4.989 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1F 1875153214 WHFWFBFANCSIQK-JXMROGBWSA-N 435.407 4.787 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C[C@H](C)n3nc(C)c(Cl)c3C)ccc21 1890487519 QICAWIYVKVHZKW-AWEZNQCLSA-N 444.963 4.681 30 10 IJEE CCN(CC)C(=O)COc1ccc(C(=O)C=Cc2cc(Br)ccc2OC)cc1 2053615043 WCFJKGUSZNFVBK-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1 2118196886 NTOKJZFAHAIJPV-CHWSQXEVSA-N 426.330 4.589 30 10 IJEE C#CC[C@@H](C[C@@H](NC)c1ccc(Br)cc1I)C1CC1 2142289305 YDCWXFAGWCXQCM-BLLLJJGKSA-N 432.143 4.754 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3cc(Cl)ccc3Br)CC2)OC1(C)C 2163722003 VKFDJLDAEPZGSA-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CCC2 2180957274 LOMQQCILEFXAQW-UWJYYQICSA-N 441.410 4.870 30 10 IJEE C[C@H](CCC[C@@H](C)C(=O)Nc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C 2181047049 MXPFWFIHXWUMAX-ZIAGYGMSSA-N 438.366 4.979 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2c(Br)nn(C)c2C)cc1 2188136927 FUECNPMROWSDEB-HNNXBMFYSA-N 435.322 4.506 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(c3ccc(C#N)c(Br)c3)C1)C2 2199682779 OXJNTNWGIPJFSV-VFNWGFHPSA-N 434.378 4.842 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCC(=O)Nc2ccc(Br)cc2C#N)C1 2203257136 GJVCPCSJNRJBBC-BBRMVZONSA-N 436.350 4.733 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cccc(OC)c2Br)C1 2207356900 JJLHWWMPSGWYNT-GOSISDBHSA-N 439.394 4.969 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@H](N)C#Cc1ccccc1Br)Cc1ccccc1 2209724380 OVODXOKOCZROGK-HXUWFJFHSA-N 443.385 4.955 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2219965251 YVHLSZNMXCFLLG-YADHBBJMSA-N 441.446 4.863 30 10 IJEE CC1(C)CN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCCN1Cc1ccccc1 2219975115 NBJCKDGQFPTFJH-UHFFFAOYSA-N 440.462 4.534 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C 2235729144 MNSMCMPPPASOBB-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2248879557 NKEJKCKJJKBVBB-YYQBIWNASA-N 447.498 4.761 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccccc3OCc3ccccc3)cc2F)OC1(C)C 2282475437 PCELVPKJLVTDSU-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1cccc(NC(=O)OC(C)(C)C)n1 2296279416 OPGLIAPFMMMKJI-KRWDZBQOSA-N 430.346 4.893 30 10 IJEE C#CCOc1c(Cl)cc(C=C2SC(=S)N(CCc3ccccc3)C2=O)cc1OC 2297349601 WSYFRRVXJGIKAP-UHFFFAOYSA-N 443.977 4.805 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2305404753 YMKNJMJMQBTOBQ-JMOWIOHXSA-N 428.573 4.555 30 10 IJEE CC#CCN(C[C@H](NC)c1c(Br)ccc(Cl)c1F)C(=O)OC(C)(C)C 2316098068 LBHAMKHJQFPFMC-AWEZNQCLSA-N 433.749 4.763 30 10 IJEE COCCn1cc(C=Nn2c(C)nnc2SCc2ccccc2C)c2cc(OC)ccc21 2321762234 UXLRRQYTSFYZMS-UHFFFAOYSA-N 449.580 4.679 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1c(C(=O)O)[nH]c2ccc(C)cc12 2321762326 CZKYLWPRODYNKK-UHFFFAOYSA-N 437.500 4.642 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)c(OC)c1 2323289158 CRKGAZIDMCTULR-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1cc(C=NNS(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1 2323379288 DNOBIXJYEDPMGJ-UHFFFAOYSA-N 438.549 4.512 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(OCC)c(OC)c1 2323900595 JZCAAEDAOIQFMZ-NRFANRHFSA-N 430.589 4.575 30 10 IJEE Cc1cccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCCCO)c1 2326148923 CWSYSCMZDKYAOW-UHFFFAOYSA-N 444.988 4.792 30 10 IJEE Cc1ccsc1C=Nn1c(COc2c(C)ccc(C)c2C)nnc1SCCCO 2327304653 WYRZYFKOWUKBDV-UHFFFAOYSA-N 430.599 4.509 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cc(Cl)ccc1O 2328410372 NQBKGJUWZZSXTG-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE COc1cc(C=NNC(=S)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 2330452694 NZCHHSQFDHHGHK-QTPAZIJBSA-N 437.609 4.897 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccs2)c1 2330545627 CMCSTDCZLKVBRI-UHFFFAOYSA-N 439.591 4.990 30 10 IJEE C(=Nn1c(SCCc2ccccc2)nnc1-c1cccs1)c1ccc2c(c1)OCCO2 2330587866 XRUGJWLYGGNPPL-UHFFFAOYSA-N 448.573 4.995 30 10 IJEE Cc1ccc(COc2ccc(C=Nn3c(SCCO)nnc3-c3ccccc3)cc2)cc1 2330705166 OEECCACOXFFJOQ-UHFFFAOYSA-N 444.560 4.799 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 2330965792 PPYBECJFQBSSSQ-GOSISDBHSA-N 442.928 4.656 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1N=Cc1ccc(Cl)cc1)NC1CCCCC1 2331212535 LDLIUANMXRYPMA-UHFFFAOYSA-N 443.960 4.615 30 10 IJEE C=CCSc1nnc(CCOC)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331293953 WOKQDLBAKHLKMK-UHFFFAOYSA-N 432.590 4.595 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3cc(F)ccc3F)cc2)cc1F 2331452236 WKXQUCWMQLXZFL-UHFFFAOYSA-N 442.389 4.993 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339587124 PTTDQZDTFNZJDD-IBGZPJMESA-N 443.397 4.785 30 10 IJEE COc1ncc(Br)c(C)c1[C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2342356035 ILMLOLKATXANIV-NSHDSACASA-N 438.244 4.525 30 10 IJEE COc1ccc(/N=C2/C(=O)N(CN3CCC[C@@H](C)C3)c3ccc(Br)cc32)cc1 16609042 HRGYGWVLLDWKCV-GJFWEISOSA-N 442.357 4.615 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(=O)NC(C)(C)C 36045091 GSRHYWOOBSTSCU-UHFFFAOYSA-N 449.530 4.613 30 10 IJEE COc1cc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4)c3C)C2=O)cc(OC)c1OC 41250933 CMTCRZFGCRQAFI-NDENLUEZSA-N 446.455 4.856 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)cc1OC 41654072 NXADCOLDYYHJGW-MXAYSNPKSA-N 443.499 4.981 30 10 IJEE CCN/C(=N\Cc1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 59490585 DBOGXVMMWFHHHF-KRWDZBQOSA-N 436.364 4.524 30 10 IJEE C=CCN(C(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2)c1ccccc1 65000683 QGAVAYGMSCPFDD-UHFFFAOYSA-N 426.516 4.825 30 10 IJEE COc1cc(/C=C\C(=O)c2cccc(-n3cnnn3)c2)ccc1OCc1ccccc1Cl 96759184 BPLMQTVFXLESBD-LUAWRHEFSA-N 446.894 4.799 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1F 100222791 ZNDSHXDHYVLDQN-JOCHJYFZSA-N 448.579 4.621 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1 102433319 RYWHKTYMJLACQR-MYXKAAJQSA-N 442.515 4.836 30 10 IJEE COc1cc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)ccc1O 102569479 MTZCFYLGVZCCCQ-SADKCHQCSA-N 435.863 4.681 30 10 IJEE CCOc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1Br 169935373 JTTAENBCIRVZCO-LJQANCHMSA-N 445.382 4.866 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccc(C)c2)c1 169965953 KJNHNUSNUACVMJ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccs2)cc1 169989922 IDRQFESCKUWNDG-HXUWFJFHSA-N 445.500 4.806 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1ccncc1)c1c[nH]c2ccccc12 170022539 LTAMJLOUWGNUKG-NRFANRHFSA-N 445.862 4.705 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 170098143 XAARDOSWQWDVQN-SFHVURJKSA-N 447.428 4.580 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1C1CCCC1 170126160 GFYDLYSVRKYVBC-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccs2)cc1C 170155127 BNLSMQVVQJCWCU-NRFANRHFSA-N 443.565 4.849 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1)c1ccc(Cl)c(Cl)c1 170162047 DABZXHWPOVFHJC-SJCJKPOMSA-N 438.332 4.812 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)c1 170167598 WXHBNNQVNFSCCS-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170191907 FQNQBKUKNYOWLM-LJQANCHMSA-N 426.806 4.796 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)c1 170250578 JTWLPXOGROTMCN-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1sccc1C 170318959 NOOVADSOVWMOLN-QGZVFWFLSA-N 435.929 4.715 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)c1 170429422 CJHGBBQIQVIMFK-GOSISDBHSA-N 435.398 4.719 30 10 IJEE COc1cc(/C=C\C(=O)Nc2ccnn2Cc2cccc3ccccc23)ccc1OCC#N 207016780 CSYGCWROBICPNL-BENRWUELSA-N 438.487 4.647 30 10 IJEE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C 257429428 GUERPVMWCQXYEU-JQVKDQDPSA-N 444.656 4.820 30 10 IJEE biogenic CC(C)CCC[C@H](C)[C@@H]1CC[C@H](C2=C[C@H](O)[C@@H]3C[C@H](O)CC[C@@]3(C)C2=O)[C@@]1(C)CCO 257451533 JBBOTAYOANLXIB-ZTMKUFMFSA-N 434.661 4.901 30 10 IJEE N#Cc1cc2c(nc1Nc1ccc(I)c(Br)c1)CCC2 312283447 PTYGUQZVYYEHBP-UHFFFAOYSA-N 440.082 4.553 30 10 IJEE N#Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)no2)o1 426431676 FCAMJRJVKMCDGM-UHFFFAOYSA-N 446.275 4.813 30 10 IJEE O=C(c1cc(F)ccc1O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436823534 BOYKPLYIJSVEET-MRXNPFEDSA-N 437.311 4.783 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 440827444 QIZCDQJENFMQHQ-PBHICJAKSA-N 447.329 4.691 30 10 IJEE CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)o1 442139524 VZNMVWAWLRTGGX-YWZLYKJASA-N 448.548 4.775 30 10 IJEE COC[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccc(F)cc1 466561550 GAGOPWWTVJKCEC-DEOSSOPVSA-N 433.483 4.980 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 470129534 XSYGXWIWIFWQSN-IBGZPJMESA-N 430.346 4.649 30 10 IJEE C=CCn1c(Sc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)nnc1-c1cnccn1 481816964 PRVAMMSBODHVCF-GFCCVEGCSA-N 435.582 4.510 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](CN3CCCCCC3)C2)c1 487904985 DDMWCMUNCONRMG-JOCHJYFZSA-N 431.580 4.865 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 500772310 MMHLJJGYLYVENW-LJQANCHMSA-N 445.523 4.638 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 502501634 MBBSCMHSIKIOLT-MRXNPFEDSA-N 435.240 4.668 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 508884250 GGCYQSGWMYZMLA-IMNFJDCFSA-N 448.542 4.815 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1OC 520311004 YATKONZBMUFJFT-UHFFFAOYSA-N 435.549 4.798 30 10 IJEE Cc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526801303 JKXUDSPTXJOLJU-YXSASFKJSA-N 427.288 4.618 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CC=C 554932275 RDWJTPYTDZBKPZ-ZEQRLZLVSA-N 425.536 4.774 30 10 IJEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 555009958 CYWUOFLEQRZAGA-MRXNPFEDSA-N 448.914 4.537 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 565273723 HGVOXAHULNOEIS-QFIPXVFZSA-N 434.540 4.710 30 10 IJEE CC(=O)O[C@]1(C)C(=O)CC[C@H]2[C@@H]3C[C@@](C)(C(C)=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 575399430 VQWNDKXDSFHIFI-IPTVPUOMSA-N 428.569 4.614 30 10 IJEE O=C(C[C@@H]1SC(=NN=C/C=C/c2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl 585657500 LWTVXADIWHQWKN-CANKDSTASA-N 447.347 4.609 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 609723672 SEOOGCGIKPGHGT-QFIPXVFZSA-N 445.906 4.707 30 10 IJEE C=C([C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(F)(F)F 693671313 JKQFEBYKYPUYAW-LJQANCHMSA-N 441.538 4.643 30 10 IJEE N#CC1(c2ccccc2)CC(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 705608681 GMEXUBIVFNYSEZ-UHFFFAOYSA-N 437.587 4.671 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)O[C@H](C)C2 730686130 DLRAKMYPYZCPIT-HUHSQHJXSA-N 438.911 4.513 30 10 IJEE COc1ccc([C@H](NC(=O)CSCc2cc(Cl)ccc2OCC#N)C(C)C)cc1 773440713 NKOSRHCYUZSRCV-JOCHJYFZSA-N 432.973 4.998 30 10 IJEE N#Cc1cc(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)ccc1N1CCC(O)CC1 779160605 YMGYZSYUMIRHEZ-VWLOTQADSA-N 428.492 4.629 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 779886731 DDLRPCGLVLELSQ-QHCPKHFHSA-N 425.554 4.511 30 10 IJEE COc1cccc(/C(C)=C/C(=O)[C@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 787046818 SSZCNQHORJKWEU-KGOXTYMUSA-N 431.319 4.992 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)c1ccccc1 811898193 NHNAUTCMDQRENK-BVSLBCMMSA-N 441.369 4.669 30 10 IJEE CC/N=C1/S/C(=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C(=O)N1CC 1083931805 BUKOSPUUZXANBJ-XQGMVTDFSA-N 431.945 4.758 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3)n2)cc1 1084271620 LGGOHTFYRNYXLA-HNNXBMFYSA-N 438.557 4.504 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@H]2CC[C@H](OC)C2)C1=O 1116748843 RUKSMJQVFKFIGP-ZWOKBUDYSA-N 445.629 4.569 30 10 IJEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2ccccc2-c2ccccc2C#N)c1 1129766684 DIPYVZKVUPCNJW-UHFFFAOYSA-N 438.936 4.602 30 10 IJEE C=CCN(C(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)[C@H](C)COC 1131090886 RRSPRFSTJROFKS-CYBMUJFWSA-N 439.737 4.953 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)C(C)(C)C 1140137655 KFHBOZQEKRWSBU-ZEQRLZLVSA-N 445.563 4.914 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H](Cc3nccs3)C2)s1 1155775696 BDLCDUWOFSDERK-CQSZACIVSA-N 428.048 4.776 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 1161579990 AYJNLVMGIOEFQU-OAQYLSRUSA-N 436.552 4.733 30 10 IJEE C#CCN(C(=O)Cn1c(SC(F)F)nc2ccccc21)[C@H]1CCCc2ccccc21 1178954615 NZPQBMABHROGBX-IBGZPJMESA-N 425.504 4.890 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(O)cc(C(F)(F)F)c1 1188465342 DDUAFRAVDQMTJU-UHFFFAOYSA-N 426.508 4.509 30 10 IJEE C#CCN(CC(=O)Nc1scc(-c2ccc(C)cc2C)c1C(=O)OCC)C(C)(C)C 1197929682 KOYNXHUFWALOII-UHFFFAOYSA-N 426.582 4.881 30 10 IJEE CCOc1ccccc1CN1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 1201178714 HORDGIINHITPER-MRXNPFEDSA-N 446.473 4.714 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](c2cccc(Br)c2)C1)C(C)C 1220598559 WKMKCMCKAJYTFP-FPOVZHCZSA-N 434.422 4.647 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CCCC1(C)C 1221677051 YFNSUBFOAIAGTM-XXBNENTESA-N 430.612 4.805 30 10 IJEE C=CCCC1(CNC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)CCCC1 1252984452 RDNWACZQMGDTIU-INIZCTEOSA-N 441.385 4.565 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1 1254599142 LVJRMIYWPPNYCS-KRWDZBQOSA-N 433.430 4.767 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1261212539 DHYFGBVVUOQXMJ-HKUYNNGSSA-N 445.560 4.622 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)c1ccc(Br)cc1 1275465017 RFXMSOHUQAHQRN-KUHUBIRLSA-N 425.330 4.578 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC1CCN(CCC(C)C)CC1 1286291199 UFNOIGVZJTVXHQ-OAQYLSRUSA-N 444.627 4.709 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nccc(C(F)F)n1 1286437136 AMXPHPHTLDKAMB-UHFFFAOYSA-N 442.539 4.511 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@H]1CC 1286437249 CVWODDCAUFVGJO-OAQYLSRUSA-N 439.673 5.000 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C2CC2)C1 1286534350 AYDIZAZODWDVBA-HOCLYGCPSA-N 435.341 4.702 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286605834 XNNUPPFYRODVKP-QFIPXVFZSA-N 431.540 4.906 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN(C)c2ccccc2)CC1 1286651001 OJBRQLIJUDXRSI-DHIUTWEWSA-N 437.632 4.880 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1286670615 HTOVIXBEFBLOIJ-PZJWPPBQSA-N 426.605 4.938 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1286678623 BBPXTHZTDPAVRU-DNQXCXABSA-N 431.584 4.629 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(C)nn(C)c1C 1286681068 QBHATZXTTCDTGP-IFMALSPDSA-N 442.652 4.778 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(CCOCC)CC1 1286718555 NWVHQNPKSJEBQT-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1286745695 ZTBDJHDUCCWIQF-WPFOTENUSA-N 437.632 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCc1nc2c(s1)CCCC2 1286756338 UZVVCUZZZWTKNW-UHFFFAOYSA-N 441.004 4.750 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1OCC[C@H]1C 1286763247 GQYDXUDJSZYOOC-DYESRHJHSA-N 426.948 4.852 30 10 IJEE Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H](C)Oc1ccccc1F 1290768642 FSVALWFEZVZXBG-LLVKDONJSA-N 440.363 4.514 30 10 IJEE CCN(Cc1ccccc1Br)C(=O)c1cc(C2CC2)nc(SC)c1C#N 1296931812 DIFGFRFVNJARIF-UHFFFAOYSA-N 430.371 4.977 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 1299459674 ASHWMFNGTKZAEE-RTBURBONSA-N 438.609 4.597 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300318139 YWSMLFMDKJVYPD-QHAWAJNXSA-N 446.643 4.565 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H](C)C#N 1300870984 WQYWAHMZJPZWNF-IDVKNYFZSA-N 439.629 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)Oc1ccccc1F 1300918589 BEEAVPIKPGIBRF-INIZCTEOSA-N 429.565 4.643 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1300974211 GCBQJBCELXMKAN-CTNGQTDRSA-N 434.588 4.943 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1301129085 GYDDNQZEOJRBBI-QFIPXVFZSA-N 435.547 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(OC(C)C)CC1 1301154467 SDNOYJQWWKRMAY-UHFFFAOYSA-N 426.605 4.874 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CC=CCC1)c1ccccc1 1301166288 SWMBTRXIAVTJIG-GGAORHGYSA-N 433.600 4.553 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)cn2C)n1C1CC1 1301350299 VSPWXYAMOINHAG-UHFFFAOYSA-N 430.325 4.713 30 10 IJEE C=CCC1(C(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)CCOCC1 1304266813 OUNPAAIFIMOVKY-HXUWFJFHSA-N 434.621 4.635 30 10 IJEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1 1305319034 BWGAQGIYMBTNSF-MZNJEOGPSA-N 435.597 4.844 30 10 IJEE CCCN(CCC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2C1 1307004659 HRIDYBXIZGCFAQ-UHFFFAOYSA-N 448.640 4.953 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1N1CCOCC1 1308608565 FGHIMAIUKUVEBQ-UHFFFAOYSA-N 442.401 4.816 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CO)c3cccc(Cl)c3Cl)cc2)nc1 1310212860 CIBCWOSRXZYBMV-GOSISDBHSA-N 443.290 4.907 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 1310337533 LMMGDAGOXLGDJF-UHFFFAOYSA-N 429.586 4.682 30 10 IJEE O=C1NCCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1311031339 GZDIJDPFLWSAIJ-OAHLLOKOSA-N 449.326 4.568 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccc(Cl)cc1 1311634690 VTSFMVBRWJNPMV-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE C=CCc1cc(CNC(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)cc(OC)c1OC 1311747627 IYIDIQSSEAZLGU-JOCHJYFZSA-N 438.568 4.712 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)cc1F 1312926083 LIASIYAMJYVDHN-CKNFYHOISA-N 436.955 4.845 30 10 IJEE CSc1cccc(F)c1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1316417964 HFYCZYHILFPWPV-XMSQKQJNSA-N 429.565 4.559 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)cc1 1351527505 BNRFMWMDWGOJCE-UHFFFAOYSA-N 449.551 4.778 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)cc1OC 1355376805 HLFDLVJZSKEYIR-XVXFIRIFSA-N 449.938 4.965 30 10 IJEE C#CCOc1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1 1356348831 JPWKMRRHEIFFOE-UHFFFAOYSA-N 439.393 4.961 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)NCC1(Cc2ccccc2)CCCC1 1357934238 CLEKASNQMUOEAI-UHFFFAOYSA-N 427.342 4.619 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(CCOCC)CCCC1 1358894331 MNUZKVWDZWNVEW-HXUWFJFHSA-N 433.600 4.795 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1358907036 ASFPHXLANZXVFH-YKSBVNFPSA-N 448.567 4.782 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@H]1C(C)C 1358940133 OOLRKBXMMKJOSC-UXHICEINSA-N 435.597 4.508 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCN(CC(C)C)C1 1359015390 RWGNCCLPXDHSBQ-QFIPXVFZSA-N 439.623 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCCOC1 1359095194 LISXPAZRRCMYNQ-FVJLSDCUSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCC(OC)CC1 1359108400 MLQZRFVRKCMTBB-UHFFFAOYSA-N 446.039 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(F)(F)F)c1 1359112459 KJXOAYTYWNZXKB-LJQANCHMSA-N 438.494 4.912 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC(O)(CC)CC)CC1 1359167809 VONKZXPNYHCQJW-UHFFFAOYSA-N 447.023 4.959 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccco2)CC1 1359175906 FOJRXCPXUGZPGP-UHFFFAOYSA-N 431.309 4.890 30 10 IJEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)[C@@H](C)C1CCC1 1359216736 CJPQNDQFIGRZMC-AZUAARDMSA-N 447.624 4.568 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@@H]1CCO[C@H](C)C1)C1CC1 1359247833 QUROQNCZNKSCOR-IAGOWNOFSA-N 432.515 4.907 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359340628 SUVSNYIIBLUVPZ-MRXNPFEDSA-N 429.977 4.504 30 10 IJEE N#Cc1ccc(F)c(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)c1 1436211714 CYPLXGUIPDHQHQ-UHFFFAOYSA-N 433.668 4.683 30 10 IJEE COC(=O)c1cccc2c1CCN(C(=O)c1ccc(Oc3ccc(C#N)cc3C)cc1)C2 1436593819 AAKPTZCSWMEYGN-UHFFFAOYSA-N 426.472 4.644 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCSC[C@H]2c2ccccc2OC)cc1OC 1439094075 MHWRVZAWFIJWTE-BUVUWQSRSA-N 439.577 4.989 30 10 IJEE COC(=O)c1ccc2c(c1)CN(C(=O)c1ccccc1Sc1ccccc1C#N)CC2 1446759738 FIKUYTFNGZRRNA-UHFFFAOYSA-N 428.513 4.695 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCOc3c(Cl)cc(Br)cc32)cc1 1463818929 OASAZSCKGOFUAS-UHFFFAOYSA-N 442.762 4.809 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 1468508537 FAMNVNZOZUKDPW-RPBOFIJWSA-N 433.596 4.658 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2Cc2cccc(Br)c2)cc1 1473569842 SQGCQTIXUAQNRF-JOCHJYFZSA-N 425.370 4.856 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C 1474881877 HCKNIVSWGBKHPH-YRISNDGFSA-N 440.565 4.611 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)cc1 1476754850 GVIFUYRXZPYTOP-IEBWSBKVSA-N 440.956 4.638 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C/C(C)=C/c1ccccc1 1507566526 KSEUDFYPTFQHPP-RELWKKBWSA-N 438.579 4.860 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(CCOC)CCCCC1 1507605157 QUHYSQBGTXDHOL-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)cc(OC)c1 1507680441 GTWDHPOUFOEPAO-INIZCTEOSA-N 438.572 4.787 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1507754622 OGRUFUJHORWPLK-OAQYLSRUSA-N 445.032 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1507760716 FODJNAHUXKWOOG-UMEGOILYSA-N 440.035 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCc1csc(C)n1 1507765214 ZVGNDVOFLKSYSU-JOCHJYFZSA-N 443.523 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1cccs1)N(C)C 1507769400 FAYKTZLLXYLKBU-SQJMNOBHSA-N 449.624 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(F)F)C1 1507803704 COVIXOUJKHQRIJ-IPJJNNNSSA-N 446.542 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CC1(CCOC)CC1 1507814525 BGMBNCBWJGAPJU-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CC(C)(C)N1CCc2ccccc2C1 1507816516 MBPWDZDKMNEDJU-UHFFFAOYSA-N 444.627 4.888 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CC=CCC1 1507842863 NKNHCJYZHYCZPH-OAQYLSRUSA-N 432.572 4.516 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507846904 BCCXFYVHBCUALD-HDICACEKSA-N 443.542 4.670 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1507880251 XCKMCURWONNASG-GOSISDBHSA-N 443.567 4.886 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1507883912 BLRAUFFXRGTROQ-LJQANCHMSA-N 431.625 4.670 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCc2cccnc2)CC1 1507897409 IWPIEBUDXIQXJH-UHFFFAOYSA-N 438.373 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(F)cc(C)c2C1 1507910339 OBIHCOXHRRHVCC-UHFFFAOYSA-N 448.546 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2nccs2)C1 1507923523 YCHFMWADPZAOGY-QGZVFWFLSA-N 429.615 4.567 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[S@](=O)C(C)(C)C)C1CC1 1507987785 CGFFHXHEDDSZAH-DFYVNMARSA-N 446.686 4.833 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCc1nccs1 1507998932 VQJQIDOUWITUQD-UHFFFAOYSA-N 435.553 4.747 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1508021344 RSLMYVFMCHJDFD-LADGPHEKSA-N 435.641 4.966 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCCC)CC1 1508104104 GXROIKIGRIXOKX-HSZRJFAPSA-N 447.583 4.739 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 1508151245 APOWNIUFLFBTCS-IBGZPJMESA-N 436.629 4.768 30 10 IJEE CC(C)CCN1CCC(Cn2c(C3CCC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1509324225 IEXSCKYREUSSSJ-UHFFFAOYSA-N 434.632 4.812 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](CC)Cc2ccccc2Br)cc(OC)c1OC 1518567271 NRNMOEAOFFMUEP-SFHVURJKSA-N 432.358 4.946 30 10 IJEE Cc1cc(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)nn1-c1cccc(C#N)c1 1522743503 AHKPBULABPZNSJ-OAHLLOKOSA-N 443.334 4.899 30 10 IJEE C=C(C)[C@@H](NC(=O)Cc1cccc(I)c1)c1ccc(F)c(F)c1 1523234011 UBYSOCZBDPAMHR-GOSISDBHSA-N 427.232 4.546 30 10 IJEE C=CCC[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O)c1ccccc1 1524035810 VTSHQIWSWLWOGI-KXZIGNATSA-N 434.561 4.898 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 1525731382 XHWDPVMTWUMCQS-RTWAWAEBSA-N 430.593 4.547 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)c(C#N)cn1CC 1525795778 IFYRIKWZIMPVHH-UHFFFAOYSA-N 444.919 4.569 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)C1 1525822920 CVZLISYSJBHNRF-HFZDXXHNSA-N 446.551 4.524 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)c3sccc3S(=O)(=O)C(F)F)c2C#N)[C@@H](C)C1 1527031739 CWUFVBLSBKKRRT-IUCAKERBSA-N 430.523 4.616 30 10 IJEE CCS(=O)(=O)Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1 1528791071 ARARMPWRULNXTR-UHFFFAOYSA-N 434.517 4.846 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN(C3CC3)c3c(C)cccc32)CCCN1C(=O)OC(C)(C)C 1529383750 SPVAFRGSVQUWBS-VWLOTQADSA-N 425.573 4.656 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 1530533603 IDXTXFMNMXLHBQ-UHFFFAOYSA-N 432.394 4.822 30 10 IJEE C=CCC1(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)CCCC1 1532543733 FDEOHFRNDAFYSV-PZJWPPBQSA-N 430.589 4.738 30 10 IJEE C=CCC1(CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)CCCC1 1532544139 SIZRUPSVDBCTKJ-IBGZPJMESA-N 449.389 4.803 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1 1535077983 RFSZCWUVWACYKH-LEWJYISDSA-N 438.524 4.893 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(OC)c(OCC)c(OC)c1 1535589285 OPYSEDVWJGFFNL-UHFFFAOYSA-N 439.430 4.616 30 10 IJEE C#CC1(NC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)CCCC1 1536324518 ACUCZVPFFCDXBI-UHFFFAOYSA-N 426.179 4.502 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 1537443740 DLFGDKUDCVJCMN-UHFFFAOYSA-N 449.558 4.615 30 10 IJEE C#CCN(C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)[C@H]1CCCc2ccccc21 1538599421 HBBUYZBLYSJEHJ-SANMLTNESA-N 443.568 4.814 30 10 IJEE C#CCN(C(=O)c1cnc(Br)c(Br)c1)[C@@H]1CCCc2ccccc21 1538607383 UNVJYELBWPCNMC-QGZVFWFLSA-N 448.158 4.760 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1539053783 ZVYHGLJMVBIXCW-SVFBPWRDSA-N 442.007 4.548 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN(C)CC(F)(F)F 1539351447 AVUBTWUOURJPOG-UHFFFAOYSA-N 448.320 4.596 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCC1CCC(OC)CC1 1539392737 WEAXKGREXKHBJN-ZUEZHPSSSA-N 440.563 4.504 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCC)CCC 1539628762 SZEVFXDLMZWJKN-NFBKMPQASA-N 434.588 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)s1 1539633563 ZMIVUPDUTQMYRQ-AYBZRNKSSA-N 437.009 4.852 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1539982917 SNAOGTCPTZDBFT-HSZRJFAPSA-N 448.615 4.713 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1540155255 PXAMQVUMHFIJOI-QFZWGZQFSA-N 440.563 4.755 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1CCc2ccccc21 1540193899 DUXJILCTSLPCBA-IBGZPJMESA-N 437.975 4.752 30 10 IJEE CC[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC#N)CC1)OC 1546012131 BXBLYCFSJFHIKT-NRFANRHFSA-N 439.604 4.710 30 10 IJEE CCOc1ncccc1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1548008718 ACBTXTFAJGEJJJ-BKMJKUGQSA-N 444.583 4.792 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2ccc(OC)cc2)C1 1556707550 APBQAYDSXFQSPO-QUCCMNQESA-N 436.980 4.512 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1ccc(Cl)cc1 1561209036 UPERZYGRNOFWRZ-UHFFFAOYSA-N 432.742 4.760 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1562264818 JXSMGELIOORGNU-QFIPXVFZSA-N 447.514 4.616 30 10 IJEE COCCN(Cc1ccc(C)o1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1562787718 AALZBNPLUMWDHY-UHFFFAOYSA-N 435.528 4.623 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2cc(F)c(Cl)cc2Br)c(OC)c1 1585871870 JJTAHJVLNNICKP-UHFFFAOYSA-N 429.669 4.963 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)C1 1586893973 FIOGFUGDKFPWGY-INIZCTEOSA-N 440.519 4.729 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CC2 1586934834 BAICMCMPGFXNNE-KNTRCKAVSA-N 444.531 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@H]1C[C@H](F)C1 1587663346 XHMLKHPTVKDLTE-BJLQDIEVSA-N 432.971 4.848 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1scnc1C 1587712079 LSCWIILWZCWRSC-UHFFFAOYSA-N 431.512 4.751 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](CC)N1CCCC1 1587921945 NGBXCEAZNFHELX-MRXNPFEDSA-N 428.005 4.757 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](CC)Cc2ccc(Br)cc2)c(OC)c1 1587973245 MURDJXDPQREFTH-IBGZPJMESA-N 432.358 4.703 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1589110021 NQXJFIJBPIECQD-NRFANRHFSA-N 438.641 4.999 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC1CCOCC1 1589506316 UVVMODHBROVKBH-UNMCSNQZSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(Cl)=C(Cl)C1 1589529955 QVCDIZBYMMKLKQ-DNVCBOLYSA-N 434.371 4.529 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)F 1589530176 SHMCOCXUTHQYPX-UTKZUKDTSA-N 443.498 4.673 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1ccc(Cl)cc1 1589721716 BEEJNKVQCDXYGF-UHFFFAOYSA-N 448.796 4.955 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1594078055 ZLMKFAQEWXWXIU-QGZVFWFLSA-N 445.995 4.916 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCC(C)CC2)CC1 1594437038 ICGCWBKQPWEOCP-DHIUTWEWSA-N 443.680 4.721 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1coc(-c2ccc(C)cc2)n1 1594913604 LPPZXHNVXQUDDV-UHFFFAOYSA-N 434.931 4.822 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1595501302 PCWIBIHJPMQCKQ-CTNGQTDRSA-N 435.616 4.561 30 10 IJEE C#C[C@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccc(Cl)cc1F 1597004209 ZTQCEDZFMPVIAV-MGPUTAFESA-N 435.307 4.552 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c3c(F)cccc3F)cc2n1 1597381594 YKNNVTANYDOFED-FQEVSTJZSA-N 442.466 4.705 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Nc2ccccc2Cl)CC1 1611088692 LVRGMWNFIATWTD-HXUWFJFHSA-N 435.996 4.993 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCOC1 1611748005 GCTDGQMENZRZKY-IUKKYPGJSA-N 443.979 4.628 30 10 IJEE CCOc1cc(/C=N/N=C2/S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 1615300892 QSLKTOWGYLEFAO-WTGMLGSZSA-N 447.516 4.891 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H](c3ncc(C(=O)OC)s3)C2)cc1OC 1621458760 NYGTXKGHTHKCKJ-HNNXBMFYSA-N 436.961 4.536 30 10 IJEE C=CC[C@H]1CCN1C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1623101813 FMWXTXVHLJEOKH-IBGZPJMESA-N 428.330 4.561 30 10 IJEE Cc1ccc(-c2cncc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)c2)cc1 1626676851 HWYIHXIRHLUFGS-XMMPIXPASA-N 430.939 4.733 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 1629002018 UNKILVNVWVIURP-ABAIWWIYSA-N 449.748 4.801 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1632411739 APFATJCLQCVVDA-ISKFKSNPSA-N 440.609 4.882 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)s1 1634208755 JSNNKKDSQDXJDK-ROUUACIJSA-N 449.041 4.880 30 10 IJEE C[C@@H]1[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CCCN1C(=O)OC(C)(C)C 1639435565 GWHNEJFBVFHFCR-WZONZLPQSA-N 449.551 4.655 30 10 IJEE C=CC[C@@H]1CCN1C(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1640141559 MZGJWURZIYHBHI-QTISVLPJSA-N 448.563 4.674 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccc(Cl)cc1F 1640467654 ROJBQIUSLWPHMZ-HKUYNNGSSA-N 428.891 4.809 30 10 IJEE C=C[C@@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl)C(=O)OC 1640651290 ITEYYDLSUSHTTE-GOSISDBHSA-N 449.359 4.766 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1ccccc1F 1643490934 IMOYEJOBGVCLHF-SFHVURJKSA-N 428.920 4.821 30 10 IJEE C=CCc1cc(CNCc2cccc(CNC(=O)OC(C)(C)C)c2)cc(OC)c1OC 1649186137 CHVHSDTXWNBYNT-UHFFFAOYSA-N 426.557 4.747 30 10 IJEE CCOC(=O)c1c(COc2cc(Br)ccc2C#N)nc2ccccc2c1C 1652027363 HNTCYACVEBYTGS-UHFFFAOYSA-N 425.282 4.933 30 10 IJEE N#Cc1ccc(N2CC[C@@H](Sc3n[nH]c(-c4cc(Cl)cc(Cl)c4)n3)C2=O)cc1 1652679286 CTQRKQDAHPGWLJ-MRXNPFEDSA-N 430.320 4.548 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H](c2ccccc2)C(C)C)nnc1-c1cccs1 1652707278 SEFBCWWYWKVEMC-GOSISDBHSA-N 426.611 4.841 30 10 IJEE C=CCOc1ccc(CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)(C)C)cc1 1653731118 FUHHNNYSNPJTKM-UHFFFAOYSA-N 431.580 4.918 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(Cl)ccc(C)c1Cl)c1ccc(Br)cc1 1655459630 XJESOJDWGBXYRO-CQSZACIVSA-N 433.154 4.717 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br 1655995893 SVUSDVIASRZRAH-BXUZGUMPSA-N 437.197 4.625 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2cc(Br)ccc2OC)cc1 1657135602 RCJCYSLLSINZJM-HXUWFJFHSA-N 427.342 4.605 30 10 IJEE C[C@@H]1C[C@H](CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCN1C(=O)OC(C)(C)C 1657957199 AVIGIGQNHMLTCF-KNKQGSTJSA-N 447.023 4.558 30 10 IJEE Cc1cc(Br)c(F)cc1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1660958959 AZUBQUXIUKTVMU-UHFFFAOYSA-N 431.309 4.559 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1 1666555940 OFEUDXFDKWJCAE-OAQYLSRUSA-N 444.325 4.637 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1667555456 USYHKXLDOOMARE-HSZRJFAPSA-N 448.494 4.960 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CCCC1(C)C 1672803902 IZEWIMROAZXZJK-IPJJNNNSSA-N 447.645 4.952 30 10 IJEE Cc1c(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)ccc(Br)c1F 1672971779 DOWVQCBGNZWOQT-UHFFFAOYSA-N 447.308 4.675 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cnc(-c2ccc(Br)s2)nc1 1678715911 ADOPRFZBQTWQLJ-UHFFFAOYSA-N 447.289 4.763 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1682683770 NMSMQABXRZHSMC-PBHICJAKSA-N 430.902 4.720 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCCc4c(F)cc(F)cc43)CC2)c(F)c1 1682966864 BPMXSLVFQRWWLD-OAQYLSRUSA-N 429.442 4.606 30 10 IJEE CCc1cccc(NC(=O)CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1683411045 HAHWKHZBXHVHTH-SFHVURJKSA-N 426.520 4.787 30 10 IJEE CC(C)COC(=O)N1CCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 1686076928 GNOAIHRRYDQXRZ-HXUWFJFHSA-N 448.567 4.796 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@@H](C)C1 1689832302 ZVJBLXYLGZBEJH-JENIJYKNSA-N 435.597 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@@H]1CC 1689850276 ZBWPMHKKOJDZSW-XSDIEEQYSA-N 443.636 4.677 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](OCC)C1CCCC1 1689867177 POMSOKILHTTYOZ-ZHHKINOHSA-N 430.637 4.640 30 10 IJEE C#CCCCn1c(N(C)[C@@H](C)c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689940367 XGABULUKMFETHU-SESVDKBCSA-N 437.588 4.660 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCCC(C)(C)COC 1690210987 PHIVKPBAPLXCRK-AREMUKBSSA-N 433.600 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCn2ccnc21 1690256140 FASALMDTOHMXKL-RTBURBONSA-N 438.551 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1OC 1690258553 KGHFEOCZUKROAZ-IEBWSBKVSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(N(C)C)CCCC1 1690259642 QTKYFQMCHYZUJO-UHFFFAOYSA-N 432.012 4.884 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(C)C)C1 1690305605 DNZOKZIGOAZSSF-LJQANCHMSA-N 439.387 4.706 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1690475415 QTHCKWJWUHCGTG-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE CC(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@](C)(C#N)C1 1692360643 FDPFJDWSCKAXLZ-DVECYGJZSA-N 444.624 4.569 30 10 IJEE CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)C)nc1)C(C)C 1692406981 BHIRSGGJLJXCHM-UHFFFAOYSA-N 432.572 4.918 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC(C)(C)O1 1693772987 HAWNMKWLFQHFBI-AWEZNQCLSA-N 427.961 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1(O)CCCCCC1 1705485534 KNTRRBFIMBCUIC-NRFANRHFSA-N 438.616 4.913 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1705489037 IYOHCNFQZWGQOP-OAQYLSRUSA-N 446.643 4.653 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC=C(Br)C1 1705514050 IKKSHUOOSKCVRL-UHFFFAOYSA-N 438.373 4.729 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705514486 YNBMRJAUBIHNMS-DHIUTWEWSA-N 433.600 4.880 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705519319 GXDZEQVTOUYFFM-UHFFFAOYSA-N 447.671 4.958 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCC[C@H]1CC 1705593374 PKGBUIHDARVOKB-IFMALSPDSA-N 434.584 4.642 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(Cc1c(F)cccc1F)C1CC1 1705654294 CHOMWSXQVAQOTK-UHFFFAOYSA-N 428.508 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](OCCC)CC1 1705695359 ILFJPKDCHPIONB-VWPQPMDRSA-N 428.577 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C)C(C)(C)C1 1705702942 PLUYNTXXUGKPAX-PTLVVNQVSA-N 438.616 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705704427 UJMLWIOYAVNJMX-FCEWJHQRSA-N 438.469 4.844 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1705851210 YGYQKXZIIKPPSI-NHCUHLMSSA-N 432.616 4.730 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]2CCC[C@@H]21)C(C)C 1705866817 ANZVQGDCNOWQQP-XQUALCHDSA-N 441.664 4.987 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](c2cccnc2)C(C)C)cc1 1707531928 AJHJCOFHLAKZHA-NZQKXSOJSA-N 432.572 4.596 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCOC(C)(C)C 1722376734 YMVQWSSDVXMWFC-UHFFFAOYSA-N 426.973 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCS1 1722392731 RZRRPFBDUQYCSB-QHCPKHFHSA-N 436.625 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](C)c1ncc(C)s1 1722476013 LTUCEHQJHUMFJK-HOYKHHGWSA-N 435.597 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(Cl)nc1 1722514863 GOFUNDVHEWEBPY-UHFFFAOYSA-N 425.964 4.973 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](c2ccco2)C1 1722530479 FZWNEDLRDXTMHZ-GOSISDBHSA-N 444.482 4.726 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2N(C)CCCC2(C)C)CC1 1722581814 YSZZLXQJGVGTFX-YPAWHYETSA-N 443.680 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](CC)C1 1722586046 RFNAEWWEMPFLRS-FQEVSTJZSA-N 442.604 4.958 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)CCC(C)C 1722635251 NYPUQASTXTTZEM-SFHVURJKSA-N 427.412 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)cc1C 1722666546 VZXYKKWLUUPWKR-UHFFFAOYSA-N 440.389 4.890 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(C)CCCS1 1740557094 KSLRXBYAIJWNPE-VLIAUNLRSA-N 439.412 4.908 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(C)CCCC1 1740647873 YBMMEANHSCUPRO-UHFFFAOYSA-N 443.364 4.890 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1740724004 WENQORMIUJCWNL-ZWKOTPCHSA-N 432.684 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)c1c(C)noc1C 1740733685 KDXYPNPSFFFTGE-AFMDSPMNSA-N 447.583 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC=C)cc1 1740734721 BXRCVNZKKJAVQH-AZSVPQILSA-N 448.611 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CC)Cc2ccc(OC)cc2OC)nnc1C(C)(C)C 1740767535 PLKWYVDPLYWCLC-KNQAVFIVSA-N 442.604 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1740769231 HMZSDNDTQDHFJG-OALUTQOASA-N 443.592 4.923 30 10 IJEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 1740801698 FQMQQQNOCYHUDR-DOTOQJQBSA-N 447.992 4.706 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCCCN2CCCC2)CC1 1740819691 ZPVPVNQKOXTYDF-UHFFFAOYSA-N 445.558 4.969 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740859770 QNDCCZXIZCWBFC-JOCHJYFZSA-N 435.616 4.800 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC1(F)F 1740921185 NCGMULGTQRCHAG-IBGZPJMESA-N 444.505 4.836 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCOC2(CCCCC2)C1)C(C)C 1740926464 HJOZQNLANPGUBH-HSZRJFAPSA-N 441.664 4.784 30 10 IJEE CCOC1CC(CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1746907969 GVYKAUKNZPOQQD-YNJPUODISA-N 437.588 4.501 30 10 IJEE COc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccco2)ccc1OC(C)C 1748521427 DAFJEJOWOIOGTK-XMMPIXPASA-N 435.528 4.512 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=C)Br 1748647106 IXELDAPCYPARFR-AWEZNQCLSA-N 442.386 4.744 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCCO1 1748699813 SNZBCFLXQOCDGL-RXVVDRJESA-N 430.980 4.880 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1748725292 YMEYTCNDSPAPFR-VWNXMTODSA-N 425.665 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1748872433 COKIJWXVMHPXCF-UFHPHHKVSA-N 444.623 4.911 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[C@H]1C 1748876331 BYZDPPFIQSOAKI-IFMALSPDSA-N 434.584 4.640 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1C1CCCCC1 1748937386 JDDRQAIMGWGURV-XMMPIXPASA-N 449.643 4.676 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(N(CC)CC)CC1 1749123449 DPTBQBIOIVTCBG-XUZZJYLKSA-N 437.632 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(F)(F)F 1749124330 MIVVGTLKMNGDIW-LRDDRELGSA-N 432.849 4.717 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CCCO2)CC1 1749345330 CUEIOMBANAYWHU-NRFANRHFSA-N 445.007 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749373305 LDYWHQFMEJGIMH-HXUWFJFHSA-N 445.652 4.916 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](CC)C1 1749393517 YQTQTJBLKDDILR-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749417447 HECNCDJDFBYPBG-OAQYLSRUSA-N 437.632 4.951 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCC(C=C)CC1 1749452415 YYZHAWPHADIPHW-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCC1(F)F)C1CC1 1749515320 WQOMYCHVWBZDAE-INIZCTEOSA-N 432.515 4.943 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCC1CCN(CC)CC1 1749538471 JYQCOYGXNFSAQE-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCC(F)(F)C1 1749551091 RFOXIVBTHZYXLL-WMZOPIPTSA-N 449.571 4.699 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749756555 ZIXVIEMZZHIOMJ-SFHVURJKSA-N 433.691 4.731 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1760133601 JKULTOKJBHDBRZ-UNMCSNQZSA-N 431.584 4.938 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CCC(OC)CC1 1760228829 TYXQPQYQJCPTCR-UHFFFAOYSA-N 426.630 4.940 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C)o1 1760317390 FKDWYTGBIQSSPH-YLJYHZDGSA-N 427.936 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760322963 ZXIHIYLWTKQAKO-ARNLJNQMSA-N 443.680 4.550 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nc(C(C)C)cs1 1760332126 VILBVQDBGKZNLA-UHFFFAOYSA-N 441.601 4.993 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(C)C)C1 1760360286 XQUNTHKNLDTIAW-QFIPXVFZSA-N 426.605 4.939 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760386677 GFFHBAMPMNUMOL-RDTXWAMCSA-N 439.412 4.980 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1760390717 LQYIPLWZSDJJQD-CLOONOSVSA-N 443.586 4.814 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)SC1=Nc1cccc2ccccc12 1772723107 IRBKDFNUUKCZII-JOCHJYFZSA-N 445.544 4.995 30 10 IJEE CCCCc1ccc(C[C@H]2SC(=NN=Cc3ccc(OCC)c(OC)c3)NC2=O)cc1 1772742583 ZANRXSLGHSXGDW-JOCHJYFZSA-N 439.581 4.601 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1C(=O)O 1857890304 QPNPOVIZQRNPSH-UHFFFAOYSA-N 442.556 4.850 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(OC)c2)cc1 1862390991 PYQRPTNXRFQDIC-VWNXMTODSA-N 449.547 4.795 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)c1 1862461398 DVSCFNKUJVJWHC-FQEVSTJZSA-N 431.410 4.633 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(F)c2)cc1 1862517695 SXCORLKPTGDCBK-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2F)c1 1862555388 DMMBHUQCOIDYGK-NRFANRHFSA-N 436.870 4.840 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862562655 KRGNXHSMRUSLLN-LJQANCHMSA-N 443.286 4.947 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(F)c2)cc1OC 1862571443 KBJUILMQTKIOQE-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1OC 1862575591 AIWXUEALWMHPCZ-XMMPIXPASA-N 443.499 4.525 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(Cl)c1)c1cccc(O)c1 1862591937 RFBNFHFIDRUANA-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C(C)C)cc1OC 1862602356 ZTFGEQGUMYEWJN-JOCHJYFZSA-N 439.508 4.566 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862622160 FZEKXLCZISRUEB-HXUWFJFHSA-N 438.480 4.585 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862625716 MKOGMZXHIJAIKB-BTCOZLQPSA-N 433.504 4.881 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1CCc1cccs1 1862736917 PXNSAYNBWJZSQD-OAQYLSRUSA-N 448.500 4.786 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccc(C)c3)C2=O)cc1 1863210954 VEXOLIVNPPDXPF-UHFFFAOYSA-N 437.499 4.658 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863343080 JNUVNFNYRRLALV-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1868268500 MXKYKJMSRGWIDT-NRFANRHFSA-N 431.565 4.957 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(OC(F)(F)F)cc2)cc1 1870143167 AFCPTJOADZJZPZ-LFYBBSHMSA-N 441.413 4.813 30 10 IJEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 1871281683 VQMCBECBIIARCN-UHFFFAOYSA-N 427.791 4.686 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2C1=O 1871373408 FDBIDBVPSWCUTF-UUYOSTAYSA-N 431.400 4.747 30 10 IJEE Cc1cc(O)c(CN2CCC(O)CC2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871393979 WPEFEZKKSDIETD-GRSHGNNSSA-N 434.319 4.580 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872224384 IMHVWDHNMXBOKK-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)cc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872565967 ZTXFEKYAPQKDHH-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=CCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276966 XESSRAHMCLBOOC-UHFFFAOYSA-N 440.499 4.749 30 10 IJEE Cc1cccc(/C=N/n2c(COc3ccc(C)cc3C(C)(C)C)nnc2SCCO)c1 1874203880 WVPUVSSOAYCYOP-MFKUBSTISA-N 438.597 4.738 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(F)c1)Nc1ccc(F)cc1 1874426919 HWNQYESVFUIMBY-VULFUBBASA-N 449.486 4.836 30 10 IJEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(OC)cc1 1874506191 RBMNPBPLGUSFFW-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2Cl)cc1 1874568495 BRJRXMHFSSNRTA-LFVJCYFKSA-N 444.004 4.960 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OC 1874698001 GRELJYCYQAJYHB-RMKNXTFCSA-N 434.242 4.577 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2cc(OC)ccc2OC)CSc2nnc(C)n21 1874829198 UXCHBQHXDUQAHU-LJQANCHMSA-N 432.590 4.666 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875112974 OUWQJXKTHOYLNO-KPKJPENVSA-N 425.437 4.604 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCCCc3ccccc3)ncnc2n1CC=C 1875229711 CCAPXNBPZRVCOH-UHFFFAOYSA-N 429.568 4.866 30 10 IJEE N#CC1(c2ccc(C(=O)N3CCC[C@H](COc4cc(C(F)(F)F)ccn4)C3)cc2)CC1 1890991714 KCWHEHDGNXFCTP-INIZCTEOSA-N 429.442 4.587 30 10 IJEE CN(CCN(Cc1ccccc1)Cc1sc(Cl)cc1C#CCN)Cc1ccccc1 1903675349 IJULKKHQUUJTIX-UHFFFAOYSA-N 438.040 4.846 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CC(CNC(=O)OC(C)(C)C)C2)cc1 1942878934 XHQVQTLMCJHIMD-UHFFFAOYSA-N 431.533 4.634 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCCN1C(=O)OC(C)(C)C 1944716325 GZSPIRGGTBFWAM-SJLPKXTDSA-N 431.533 4.728 30 10 IJEE CSc1cccc(N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c1C#N 1982828422 QMYCLKBUFZUISO-UHFFFAOYSA-N 425.554 4.838 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C=Cc1c(C)nn(C)c1C)c1ccc2c(c1)OCO2 2040439530 QIAVBDOZWCKXFA-UHFFFAOYSA-N 445.519 4.577 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2cc(Br)ccc2Cl)C1 2063051581 DMPHGQMCTZVQRW-MRXNPFEDSA-N 429.786 4.833 30 10 IJEE CC(C)(C)OC(=O)c1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1N 2079163128 BWRJWUOCARDRPJ-UHFFFAOYSA-N 427.320 4.646 30 10 IJEE N#Cc1nc(O)n(Cc2ccccc2)c1N(Cc1ccccc1)C(=O)OCc1ccccc1 2081129713 ZJKRWQWHVWHPBE-UHFFFAOYSA-N 438.487 4.852 30 10 IJEE COc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)n4)c(C(F)(F)F)nn13)CSC2 2081373348 MRYATRCVEXGXNL-UHFFFAOYSA-N 438.328 4.723 30 10 IJEE N#Cc1cc(F)c(NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)cc1Br 2086060986 RSNWMPWNIMPTBQ-RNFHDMOYSA-N 444.304 4.719 30 10 IJEE C=CCC1(C(=O)Nc2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2124496385 HRQCCYZWXWBLBU-UHFFFAOYSA-N 447.732 4.993 30 10 IJEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)c1scc(Cl)c1Cl 2152512923 JEWHHWRJLMMNGC-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE N#Cc1cc(Br)ccc1N[C@@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156285920 VUKREBCPQGGNJC-RBBKRZOGSA-N 426.358 4.556 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CC1(C)C 2235720247 PBONZKZTHYVERN-XMSQKQJNSA-N 435.406 4.862 30 10 IJEE CN(CCCOCc1ccccc1)c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1 2264343061 IFVMHOCUVQERSV-UHFFFAOYSA-N 438.402 4.639 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2266056152 DIMWHARCXQFXBM-INIZCTEOSA-N 439.365 4.710 30 10 IJEE C=C([C@@H](OCC(=O)O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2275805267 BANLAQRGSUQVQI-LLVKDONJSA-N 428.218 4.849 30 10 IJEE COc1ccc(Nc2cc(Br)cc(F)c2C#N)cc1I 2280499676 KNKQOJIMHKJDSI-UHFFFAOYSA-N 447.045 4.817 30 10 IJEE C=CCc1ccccc1OCCOc1ccc(C=C2SC(=S)N(C)C2=O)cc1OC 2293175994 FHCYNGOOHZBGHM-UHFFFAOYSA-N 441.574 4.713 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](O)C#Cc1cccc(Br)c1 2296233682 ZTDXDICIRCAVLS-HSALFYBXSA-N 436.390 4.691 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCCN1C(=O)OC(C)(C)C 2296285145 YWGHTJPXJCBSAF-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1N=Cc1cn(C)c2ccccc12 2320940943 DCKOVHDZUFDHNQ-UHFFFAOYSA-N 446.580 4.508 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2321856536 ANRCSODXGVWHEY-UHFFFAOYSA-N 445.427 4.885 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2CC(C)C)cc1OCc1ccccc1Cl 2321888381 QSCOGKJJTIENIT-UHFFFAOYSA-N 430.961 4.889 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1cccc(OC)c1 2322371533 NFECIJCCHJEVOK-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)C=Cc3ccco3)c2)sc2c1CCCC2 2322798923 HMJHJHQNYYHNPX-UHFFFAOYSA-N 447.516 4.761 30 10 IJEE COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1OCC(=O)Nc1nccs1 2322952663 HJCNRGXPYPLETF-UHFFFAOYSA-N 436.533 4.991 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)C(Cl)(Cl)Cl)ccc2C1=O 2323034307 IZVRTFKBMJCPSG-UHFFFAOYSA-N 427.667 4.977 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)cc2)c1 2324014796 AOKYZVGGLGTZQE-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccccc1C=C1Oc2c(CN3CCc4ccccc4C3)c(O)cc(C)c2C1=O 2324116028 TXVGDETXLPBZLA-UHFFFAOYSA-N 427.500 4.884 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325424734 WPAOZTRVUSNJHC-KRWDZBQOSA-N 427.456 4.911 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(C)cc2Br)cc1OCC 2325642815 JZTGQZSGOJRBEQ-UHFFFAOYSA-N 432.314 4.776 30 10 IJEE Cc1cc(OCCN2CCOCC2)cc2c1C(=O)C(=Cc1ccc(-c3ccccc3)cc1)O2 2325675243 BPBHCQGGZYXJST-UHFFFAOYSA-N 441.527 4.989 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(OC(C)=O)cc1 2326474140 FMQGGKQIHAOUGY-UHFFFAOYSA-N 428.945 4.984 30 10 IJEE CCCCCOc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SC)cc1 2328429598 QMPKYFVBHYOLCY-UHFFFAOYSA-N 439.541 4.950 30 10 IJEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1 2330454937 PRLVGBSTRROYSF-UHFFFAOYSA-N 441.560 4.790 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2-c2ccccc2)cc1 2330690376 KNWNNMQWHANVHB-UHFFFAOYSA-N 438.553 4.517 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2[C@@H]2CCCO2)cc1 2331007239 MYAMXPCWBYQHPH-NRFANRHFSA-N 449.580 4.668 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 2331069166 FEGMCLSZJBIMOE-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 2331179217 YDMYWFIKWDSMPB-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2ccc(C)cc2)cc1OCC 2331550237 TXERLVADUBNQOV-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1c[nH]c2ccccc12 2331630143 SFIGFDKMUDRKGJ-UHFFFAOYSA-N 446.580 4.942 30 10 IJEE C#CCOc1c(Cl)cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1OC 2980309 WSYFRRVXJGIKAP-XMHGGMMESA-N 443.977 4.805 30 10 IJEE Cc1c(/N=N/c2ccc(C(=O)OC(C)C)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N 8438143 SOFFJAQISHPOEQ-BYYHNAKLSA-N 444.491 4.957 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 9697041 XYPYLWVDBHTGJQ-UHFFFAOYSA-N 448.544 4.836 30 10 IJEE COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)c1 33321109 IFPHRLBMSAHOFG-WAIKUNEKSA-N 432.476 4.664 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cccnc2)C3)C1=O 41587426 ZNEPLCBEOJPKRW-FMCGGJTJSA-N 428.488 4.757 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)c1 41645771 KAJWMEBJIORTPG-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1 59015169 FTGXUHMAJHBIEY-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE N#CC1(NC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)CCCCCC1 109624050 AGMLZZWETFUWRE-UHFFFAOYSA-N 436.503 4.937 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170082475 SJOGVQWHKKDHFU-QFIPXVFZSA-N 446.409 4.935 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(C)o2)c1 170099743 ZPBSBOLFQQPVEF-IBGZPJMESA-N 438.505 4.843 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)c1 170121375 RROWZAFMLXRVCN-JOCHJYFZSA-N 435.520 4.842 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 170144340 ZVANGYWFHHIGPK-XMMPIXPASA-N 442.515 4.956 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccccn2)c(C)c1 170172282 MOCYUSTWFATHFN-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 170238575 PLZMVHQYQYACLC-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305841 HVIXJMPCSYIOHV-LJQANCHMSA-N 440.358 4.557 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170379101 VUZIHGUMARFJAD-QFIPXVFZSA-N 431.444 4.915 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(Oc2ccccc2)c1 170457141 LFSHNEWZOCYEQJ-QHCPKHFHSA-N 428.488 4.995 30 10 IJEE CC(C)Oc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 170475800 XGFFYAOBAAZLMO-JOCHJYFZSA-N 425.500 4.776 30 10 IJEE Fc1c(F)c(F)c(B(/C=C/c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F 205276870 XMSQMPVCRARKBQ-VOTSOKGWSA-N 448.068 4.939 30 10 IJEE COc1cc(C=NNS(=O)(=O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 252613749 JDSAHKNGBUNAEI-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2)c(C)sc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O 254490503 UOOMFTIHUCREER-UHFFFAOYSA-N 446.576 4.750 30 10 IJEE COc1cc(C=NNC(=S)Nc2cccc(C)c2)ccc1OC(=O)/C=C\c1ccccc1 254816883 VWHGNWYBBARYKV-AKYDOISBSA-N 445.544 4.943 30 10 IJEE COc1ccc(/C(O)=C2\Oc3ccccc3C2=NC(=O)c2ccc(OC)c(OC)c2)cc1 254869529 KEDTVQLOSWJXEM-MKKFHCFZSA-N 431.444 4.661 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c(OC)c1 303607755 OGARTGYFSRKRJE-UHFFFAOYSA-N 431.414 4.646 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCCC 406611756 ZIUYAJYWPLLHLV-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(OC)c(Br)c1)NCCC 406749795 GERXCQFNBKNYKH-MSOLQXFVSA-N 441.410 4.838 30 10 IJEE CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)Cc1ccc(OC)cc1 429930508 UTZGZDIKYKZCRL-ROUUACIJSA-N 439.581 4.508 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 460559368 MEPCGIAPSWPVKV-OPAMFIHVSA-N 444.514 4.897 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCn2c(nnc2-c2ccccc2)C1 520291657 FWRRBBHIDILEMS-UHFFFAOYSA-N 439.567 4.707 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)cc2F)=C(SCc2ccco2)C1=O 526669769 DQKDWKDUOHWACU-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 563829266 BGDYBWZEAIBMCT-SDHOMARFSA-N 448.611 4.842 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 572425997 NMSRYQJCFVTEKG-DEOSSOPVSA-N 448.567 4.637 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccc(C#N)cc2)cc1 586149163 DEYSBZXVITWNSN-UHFFFAOYSA-N 434.561 4.779 30 10 IJEE C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 588705157 DZTPVQWEDQCTPZ-WZONZLPQSA-N 440.503 4.684 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCCC 701328927 IQYURGITHXLUGO-HOTGVXAUSA-N 445.348 4.555 30 10 IJEE CC(=O)N(CCC(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1)Cc1ccccc1 726329970 VYNYFMKVCIHSDG-KRWDZBQOSA-N 439.487 4.703 30 10 IJEE CCCOc1c(Br)cc(CNCc2ccc(OC)c(C#N)c2)cc1OCC 746743017 VAZOOBMJMFGZRO-UHFFFAOYSA-N 433.346 4.807 30 10 IJEE N#Cc1ccc([C@@H](O)CN2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 769230863 VKSZYELKMAIUDB-OALUTQOASA-N 444.375 4.703 30 10 IJEE C[C@H](OC(=O)c1csc(-c2cccc3ccccc23)n1)C(=O)NC1(C#N)CCCCC1 778191964 UHFVFEZWQAVRQN-INIZCTEOSA-N 433.533 4.851 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 789457801 WOSZECKEPCPEBS-LJQANCHMSA-N 430.932 4.818 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1)c1ccc(F)cc1 794894170 FTSBYNZGFAIVDN-JOCHJYFZSA-N 438.568 4.813 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)c2)s1 804681696 BZSLXNAVXICOJN-HSZRJFAPSA-N 447.535 4.700 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccccc1 1084464977 NPHQANKYKFVDCM-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccc(OCCCC)cc2)CCCN1C(=O)OC(C)(C)C 1125168327 YFDJDSZZZVBWRJ-VWLOTQADSA-N 430.589 4.870 30 10 IJEE C=CC[C@H]1N(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCCC1(C)C 1128469264 OZPLBHVRPVVRGH-TZIWHRDSSA-N 429.630 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccnc1SCc1cccc(Br)c1 1128537779 CXCYEYDTNWEMRV-APWZRJJASA-N 447.398 4.847 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(C(=O)NCC)sc2C)s1 1131631805 JXOXQLJFBZAZSM-UHFFFAOYSA-N 430.020 4.597 30 10 IJEE C#CCC1(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)CCCCC1 1134293994 YXMYUZHFJKVIKE-UHFFFAOYSA-N 440.385 4.970 30 10 IJEE CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1140804094 CQKOLOIOGQRHEL-UHFFFAOYSA-N 431.521 4.736 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1OC 1154584219 XWBNNNLUKBINNU-BIUKZJPMSA-N 448.346 4.697 30 10 IJEE CCC1(CC)[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C[C@H]1OC 1167765637 GVEOQKVEHKELAT-FCHUYYIVSA-N 440.563 4.569 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(-c2ccccc2OC)no1 1168015673 NDJPPPSGFLVEIG-UHFFFAOYSA-N 432.398 4.864 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@H](C)[C@@H]3CCO)c2C#N)C1 1171833067 BWFINQTZNZZSIZ-QKLQHJQFSA-N 431.646 4.582 30 10 IJEE C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(OC(F)(F)F)cc1 1189980593 HWHUXDCWWBWDMF-VIFPVBQESA-N 431.329 4.783 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1)c1ccc(F)c(F)c1 1196676566 CMDDNUVDKBIMDM-OAQYLSRUSA-N 429.467 4.791 30 10 IJEE CC(C)c1sc(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)nc1-c1ccccc1 1196790456 UKVYJDDSLKKXLL-VWLOTQADSA-N 445.592 4.824 30 10 IJEE C[C@@H]1[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1Cc1ccccc1 1198015867 AUIWIKVQTQWDLE-JPYJTQIMSA-N 427.508 4.530 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)c1 1215120012 RDJHCPSGLIABNQ-YYWHXJBOSA-N 429.561 4.941 30 10 IJEE C[C@](O)(CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1Cl 1222119432 BMGVNMAPSQBWBQ-QFIPXVFZSA-N 425.941 4.647 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccc(Br)cc1 1230499458 WYZGEGVGOCZDSV-XLIONFOSSA-N 437.341 4.937 30 10 IJEE C=CCC[C@H](NC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1)c1ccccc1 1230626106 YBNMYMCIRWUTOP-UNMCSNQZSA-N 431.374 4.749 30 10 IJEE CC[C@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1ccc(C)c(F)c1 1231128613 DCCXYEDPJFJQFL-QFIPXVFZSA-N 431.515 4.537 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cnc(-c2ccccc2Br)s1 1272910839 GZMDZSZITJZWDT-UHFFFAOYSA-N 426.295 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC)CCCC1 1286291743 YDDOIZLYBOBUJS-IBGZPJMESA-N 446.599 4.664 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 1286309629 SXMRZXKSSYNHKA-MJGOQNOKSA-N 447.505 4.751 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=C(COC)CC1 1286335535 UBNVEHOOEDHZBX-UHFFFAOYSA-N 449.382 4.750 30 10 IJEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1286507864 FYKYIUNWOKSOES-RUZDIDTESA-N 436.625 4.593 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1286598808 DPKMDBRTSRMZHI-YTFSRNRJSA-N 443.680 4.721 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](SCC)C1 1286610203 ZWHRYEPKNXKUDO-OAQYLSRUSA-N 432.609 4.713 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1nccs1 1286625133 AHQINCMCGHPPFA-UHFFFAOYSA-N 433.965 4.586 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1286707959 LKTCRPBAJKRAAL-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCC(C)(C)C1CC1 1286741846 LDSYWEHFDSRMFP-UHFFFAOYSA-N 429.572 4.569 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CC1CCN(C(=O)OC)CC1 1286746057 NVWDEEKJIRIREN-UHFFFAOYSA-N 439.604 4.538 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)cc1C 1286748513 XVCKULCHFAPWQZ-UHFFFAOYSA-N 432.597 4.950 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1286760661 PGQSNUUKEGLMPF-BJKOFHAPSA-N 435.616 4.610 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1293346430 CEEPHSOSIZZRNK-BFYDXBDKSA-N 434.371 4.807 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1293361749 BGDFEYYFCRBOKF-GOTSBHOMSA-N 434.632 4.954 30 10 IJEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1294540910 IEKMFBBQFVWCTE-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1csc(C(C)(C)C)n1 1300330546 ZCHAKCGEMARXMJ-QXAKKESOSA-N 443.661 4.651 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OCC(C)C)C1 1300394356 PDQBMFQHYYPSHR-KRWDZBQOSA-N 449.368 4.511 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(OC)CCC(C)CC1 1300430466 MYCBEWXXPDSWKC-OTQYULQBSA-N 430.980 4.736 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1300666019 UZZXONIISBEBAR-WMZOPIPTSA-N 438.469 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1OC 1300886126 WJAGVGQZVXCCDQ-XXBNENTESA-N 442.604 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1300907795 RBUOLQPIFDIVFK-SFTDATJTSA-N 434.632 4.976 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(N(C)C)CCCCC2)CC1 1301095941 ROPFEMRLMSIZNA-UHFFFAOYSA-N 444.023 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1301145878 KOCLBTGCLKKSBI-MRXNPFEDSA-N 447.509 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301160439 QYADTSBNLJQYTR-VXKWHMMOSA-N 438.616 4.939 30 10 IJEE C=CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)cc1C(F)(F)F)C1CC1 1301329806 NPFWERMCYVMLOY-UHFFFAOYSA-N 431.437 4.625 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)OC 1301365315 LNWMCPMZOSUQSD-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1301410293 BHXYFKNMWUQHJE-BGYRXZFFSA-N 425.621 4.740 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)CN2CCCCC2)C1 1301545130 DLUSNICXXIJHOK-VQTJNVASSA-N 444.023 4.502 30 10 IJEE CCOc1ccc2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)[nH]c2c1 1307258569 ARVNLEQQPNXTKD-UHFFFAOYSA-N 445.548 4.972 30 10 IJEE N#Cc1ccc(C2CCN(CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 1308113342 DLQLRCHXNRAFRR-UHFFFAOYSA-N 444.560 4.690 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc1 1310187266 YEIQWAMPYXKRNN-UHFFFAOYSA-N 447.922 4.950 30 10 IJEE C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CN1Cc1ccccc1 1310210711 FIVRIYJYVPWJBX-PGRDOPGGSA-N 427.508 4.530 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2)c1ccc(F)c(F)c1 1311158427 SCDJROFVMXYJNX-QHCPKHFHSA-N 437.494 4.616 30 10 IJEE C=C1CCC(CNC(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1312118945 KZXVIQIZHCZSDG-JOCHJYFZSA-N 447.000 4.879 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1313001159 IBNQOBZIWHIXMG-GBAJDQEWSA-N 449.636 4.615 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(CC)C1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1355334085 DJCZRLZHBDVJAN-NRFANRHFSA-N 431.561 4.865 30 10 IJEE COc1ccc([C@@H](NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)C(F)(F)F)cc1 1357476616 CJFGGSRPOZKTSX-CQSZACIVSA-N 441.299 4.931 30 10 IJEE Cc1cc(-c2noc(CCC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)n2)ccc1F 1357964728 HERSNIBEZOEVKH-UHFFFAOYSA-N 443.438 4.814 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CCOCC)CC1 1358877787 KMGAMCADMMJBHT-ZWKOTPCHSA-N 426.630 4.796 30 10 IJEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1359025530 RJVISXMNRRXXAC-IBGZPJMESA-N 440.485 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCc1csc(C(C)C)n1 1359072059 NRLBVEPOLRVMSB-RUZDIDTESA-N 449.624 4.692 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCCCCC1 1359089035 AISFWODJVHATDT-IAGOWNOFSA-N 425.415 4.876 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359226089 WCLOXTZSDYYDIB-VWLOTQADSA-N 437.588 4.661 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)c2ccccc2)C1 1359326243 VWYXCJOEWIZJJQ-MLDBQTBOSA-N 438.616 4.782 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)CC(C)(C)C1 1359339363 BVBFJUIXWGUDBV-QGZVFWFLSA-N 428.602 4.508 30 10 IJEE Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc(Br)cc1C#N 1434943122 BYGBOSBEDBJVCQ-UHFFFAOYSA-N 425.311 4.823 30 10 IJEE C=CCC[C@@H](NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)c1ccc(C(F)(F)F)cc1 1435632938 BXCPAVHKDRJSGC-DPCFLFMUSA-N 427.444 4.539 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)NCc2c(Cl)cccc2-n2ccnc2)c1 1436455350 FSYPOIFTFLTFRP-UHFFFAOYSA-N 442.906 4.906 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)CSc1ccccc1OC 1443716073 VIWDBPJYTWLLEJ-HOCLYGCPSA-N 443.009 4.576 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)C(C)(C)C 1446184660 MMKIQSOSXVOQEZ-HSZRJFAPSA-N 448.563 4.591 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(Nc2ncccn2)c1 1451174926 HFKXYAROVPHZAE-UHFFFAOYSA-N 425.286 4.800 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 1457440000 GICXMZFFNFPBNG-UHFFFAOYSA-N 439.269 4.509 30 10 IJEE COc1ccc(CNc2cnn(Cc3ccc(Br)cc3Cl)c2)cc1C#N 1461563007 DXLANWRAMRVYOY-UHFFFAOYSA-N 431.721 4.840 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccccc2-c2nccs2)nnc1-c1ccco1 1463475122 QIUQFADTINZHHK-UHFFFAOYSA-N 437.550 4.969 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(CC)CC2)c1 1465154627 GIWRFDIESQQYHW-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](c3ccc4cccnc4n3)C2)s1 1469991218 IVKYJGJXPGSZKM-MRXNPFEDSA-N 445.013 4.798 30 10 IJEE C#CCN(C(=O)NCc1cc(F)c(Br)cc1F)[C@H]1CCCc2ccccc21 1470985407 AUUNJVIVWOPKKT-FQEVSTJZSA-N 433.296 4.950 30 10 IJEE CCOC(=O)c1sc2[nH]c([C@H](C)Sc3ccc(Cl)cc3C#N)nc(=O)c2c1C 1472997241 IBUJYRFBVOLANX-JTQLQIEISA-N 433.942 4.848 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(C)(c3ccccc3)CC2)n(-c2ccccc2)c1C 1473283807 APLBMPJWPPYSMC-UHFFFAOYSA-N 426.564 4.958 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1cccc(OCc2ccccc2)c1 1475265529 FFJYPSCIPGVXNO-INIZCTEOSA-N 426.925 4.830 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 1476223739 FIZRXCUGSIBOFG-SFHVURJKSA-N 446.320 4.709 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)cc1 1476606218 AATDIFLWKRZYLT-GOSISDBHSA-N 437.565 4.759 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2ccco2)o1 1500210670 HWIFDELEQRJOIA-KRWDZBQOSA-N 430.512 4.904 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCCCC1 1507682076 IURKGUXZIPWIPU-UHFFFAOYSA-N 437.588 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN(CC(C)C)C1 1507770340 KXGDNOOZQGGMNA-LBNVMWSVSA-N 447.671 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@H](C)C1 1507795183 HFVBUPZHZRRUST-NWSQWKLXSA-N 438.616 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)c(F)c1 1507800285 ZOOFCYLZUGTPRU-GCJKJVERSA-N 440.519 4.612 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1Cc1cccs1 1507867378 LREJXHKPYCIYFG-GOSISDBHSA-N 428.989 4.903 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ncccc2C)CC1 1507880774 MFYHNZVPRVZRJG-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1507881665 POZONCOFKKCVTO-QAPCUYQASA-N 442.457 4.681 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)c(C)o1 1510549967 DQZVYUIRWRWKGF-VWLOTQADSA-N 433.556 4.561 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)C#N)cc1 1510832428 CKPOAQZHDCHUEJ-APTRMMRNSA-N 444.583 4.721 30 10 IJEE CSC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1519643800 BJXVFXNOVRWAPW-MRXNPFEDSA-N 431.581 4.829 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1519837447 XZQWOUKUDKSWGZ-UHFFFAOYSA-N 431.985 4.684 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[C@@H](C)C2)c1 1525000479 HVLAVIWSAWEFAA-QZTJIDSGSA-N 447.000 4.887 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(-c2cc(Br)ccc2OC)s1)c1ccc(F)cc1 1525025756 OWUUJXQYAMQKTN-MRXNPFEDSA-N 445.313 4.825 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](CC)[C@H]2C)c1 1529575813 SWZUNXYBTRDAMA-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE C#CC[C@]1(C(=O)NCCc2cccc(-c3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1529938245 HYMGTOJCSVLDHC-HHHXNRCGSA-N 432.564 4.805 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@@]2(C)C[C@]2(F)Cl)nnc1-c1ccc(Cl)cc1 1531574143 YCBRVUKIJNSUKX-RBUKOAKNSA-N 443.375 4.698 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1536873074 YQWRZWNETOFGIT-WIYYLYMNSA-N 442.556 4.858 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(F)(F)Br 1538971367 GVYHBLCBJLEXGR-VXGBXAGGSA-N 447.711 4.517 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2cc3cccc(OCC)c3o2)CN(C(=O)OC(C)(C)C)C1 1539096414 AVODJLNDGGNAJW-MRXNPFEDSA-N 428.529 4.822 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1539104146 DYALTRWEXXBTFT-UHFFFAOYSA-N 427.886 4.854 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](CC)N1CCCC1 1539382474 JVVMHMSLLRUEKT-IBGZPJMESA-N 432.037 4.558 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)CCCCc1ccccc1 1539595491 CFLUVNKRRSBHKB-LJQANCHMSA-N 433.394 4.887 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCc1cccs1 1539637424 QLNOQXORTYBDTB-WMZHIEFXSA-N 440.588 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1539655346 KVIQUGWUTWJTTI-IBGZPJMESA-N 443.592 4.896 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1539751896 WYGSRRPHUIPQDO-UXHICEINSA-N 445.633 4.570 30 10 IJEE C=C(Cn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1539771151 UPYRGNFTMMAMST-GJZUVCINSA-N 438.616 4.905 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)S[C@H](C)C1 1540007049 XVKXOSIEWJZVAC-HDICACEKSA-N 449.665 4.689 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1nc(C)cs1)C1CC1 1540107892 FJQBYIWZFRRPOV-AWEZNQCLSA-N 429.540 4.871 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1C#N 1543967955 FODQJZXEVRRJOH-MRXNPFEDSA-N 442.313 4.563 30 10 IJEE C#CCN1CCC(NC(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1 1558423509 UWGOFZAMTGYLIR-UHFFFAOYSA-N 430.573 4.822 30 10 IJEE C#CCN(C(=O)CSc1nncn1-c1ccc(C)c(C)c1)[C@H]1CCCc2ccccc21 1558541985 GLUSKHHDGVOMDL-QHCPKHFHSA-N 430.577 4.516 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)cc21 1558615461 TTWMCCMLHMDLEX-XMMPIXPASA-N 440.503 4.829 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCN(Cc2ccccc2)c2ccccc21 1561286127 BQCNEBLGQMIAQT-UHFFFAOYSA-N 437.952 4.817 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCC[C@@H](C)C1 1587592185 AMVNVRBRLCDQKO-MSOLQXFVSA-N 431.987 4.708 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1Cc1ccnc(C(F)(F)F)c1 1588550290 MCNMEODHBQPPHD-UHFFFAOYSA-N 445.464 4.718 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC)(CC)C1 1589027359 MRZIHLFPPYECPL-UHFFFAOYSA-N 433.021 4.990 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1589636639 BKMKTKZOCHNOIV-UNMCSNQZSA-N 436.629 4.887 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(CCC(C)C)CC2)CC1 1594035163 FVIDIQRHNPDQKM-UHFFFAOYSA-N 437.632 4.868 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1594544469 KITMOWMBTZHAHO-QHCPKHFHSA-N 430.600 4.558 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nc(C)cs1 1594559894 SQODRPYDLNDWDX-HXUWFJFHSA-N 439.585 4.786 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C(C)(C)C 1595076013 QTYWBKPUWGLDMJ-QHCPKHFHSA-N 449.599 4.911 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C 1595234370 QTTVTBWWZUIPBL-OYRHEFFESA-N 437.588 4.584 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1608584081 AUVBYUZACCUGAC-HNNXBMFYSA-N 428.558 4.580 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](c1ccco1)N1CCCCC1 1619380579 CRCQFCQSPSTVCB-TZIWHRDSSA-N 448.571 4.512 30 10 IJEE COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(OCc3ccccc3C#N)cc1)CC2 1625394341 GCNKSBWPONWCDV-SFHVURJKSA-N 442.515 4.914 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)cc1 1627882433 DJCXRXAHSUUVKF-UHFFFAOYSA-N 439.298 4.863 30 10 IJEE C#CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@H]1CCOc2ccc(Br)cc21 1628057191 BDRROLFNAHGGSP-FQEVSTJZSA-N 442.357 4.819 30 10 IJEE C#C[C@H](NC(=O)c1ccc2[nH]cc(I)c2c1)c1ccc(Cl)cc1 1629256508 LSMFZCRHIDJSRN-INIZCTEOSA-N 434.664 4.530 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C(C)C)C2)c1 1630993843 DJKQCYCUERONEW-GOSISDBHSA-N 447.000 4.839 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(Cl)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1633605559 NXBWKZOQWBOGJL-CQSZACIVSA-N 425.982 4.507 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cccnc1Sc1ccc(Br)cc1 1634636442 PVVLWMQGOPSPKY-UHFFFAOYSA-N 434.403 4.575 30 10 IJEE C=CCOc1ccc(CNC(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cc1 1635152092 DZDXCGRLPBNQAR-XZOQPEGZSA-N 436.552 4.518 30 10 IJEE C=CCC[C@@H](NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1 1636822135 ZVPYJIWIMAKHDK-FCHUYYIVSA-N 438.572 4.892 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1)c1ccccc1 1638029672 ORINEHRJDOACGS-UPVQGACJSA-N 449.595 4.714 30 10 IJEE C[C@@H]1[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCN1Cc1ccccc1 1638399027 AWMGDCSNUOTJNV-HOYKHHGWSA-N 429.495 4.882 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 1640397659 VXVZGDHUQRGRGM-DENIHFKCSA-N 426.582 4.969 30 10 IJEE C#CCN(Cc1cccc2c1OC(F)(F)O2)[C@H]1CCOc2ccc(Br)cc21 1641794905 FVHKUUJWSRJQBJ-INIZCTEOSA-N 436.252 4.730 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)NC[C@@H](O)c3ccc(Cl)c(Cl)c3)c2)c1 1646246409 FDABFUWBEYDRDS-JOCHJYFZSA-N 441.314 4.907 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1 1649663308 GMXOILWTQWVBKL-OALUTQOASA-N 431.556 4.972 30 10 IJEE C=CCOc1c(Br)cc(CNCc2nnc(-c3ccccc3)s2)cc1OC 1650754005 XGCYRBBUJCMJFT-UHFFFAOYSA-N 446.370 4.831 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1651144618 ZHRNHSXJJWZXQK-QUCCMNQESA-N 442.581 4.669 30 10 IJEE C#CCN(CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)Cc1ccc(F)cc1 1652408020 YVJKTQQHGHVHIH-VWLOTQADSA-N 439.534 4.691 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(C)cc2F)c1 1659248384 GUDSXONYLSNYSA-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 1661260878 JIRBECVLTNVREH-OAHLLOKOSA-N 439.478 4.997 30 10 IJEE Cc1c(S(=O)(=O)N2CCC(OCc3ccccc3F)CC2)sc2ccc(C#N)cc12 1668046867 DSOYXYHXCUEUJQ-UHFFFAOYSA-N 444.553 4.590 30 10 IJEE C#CCN(C(=O)Nc1nc(CCC)cs1)[C@H]1CCOc2ccc(Br)cc21 1669881487 RMQCLZCOCIGFLH-INIZCTEOSA-N 434.359 4.849 30 10 IJEE CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)N(C)C)cc1 1671736123 GGKLVZNVTYTOTP-NRFANRHFSA-N 443.389 4.944 30 10 IJEE CN(C[C@@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1)C(=O)OC(C)(C)C 1672083529 GUONASNPJHDXSS-KRWDZBQOSA-N 444.576 4.846 30 10 IJEE COc1ccccc1Oc1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1672437376 CLARJGVRDJHONQ-UHFFFAOYSA-N 434.521 4.775 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)C1 1673996019 ARMYYPJFXLPTMG-JOCHJYFZSA-N 435.568 4.982 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1677816109 DJQPQRJZKHSMJC-IBGZPJMESA-N 438.531 4.915 30 10 IJEE C=C(C)c1cccc(NC(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)c1 1681067527 WCRLRFSOPAGHJT-UHFFFAOYSA-N 436.375 4.714 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 1689892238 BBBHLFQZLBKYQL-WOJBJXKFSA-N 443.636 4.678 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@@H](OC)C(F)(F)F 1689949291 XWOVGKLFRGNMIN-CQSZACIVSA-N 442.894 4.850 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1689954010 IHUHEDUYNUQSFF-HDICACEKSA-N 431.987 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](OCC)C(C)C 1690006120 JBNWYZVRKRUHFX-NRFANRHFSA-N 438.641 4.800 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1nccs1 1690036939 HBOYYZRBDDCLJR-SFHVURJKSA-N 449.649 4.684 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1690048389 ISPFCQFDSFYZET-ILBGXUMGSA-N 432.612 4.806 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1 1690252313 CDBJPRIJKNNDPR-FPGHNAPASA-N 447.539 4.500 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1690368829 NOSNYBYCUOTGBH-MRXNPFEDSA-N 427.911 4.757 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(F)cc1C 1690534624 FDXNZVFGDIMMAR-FQEVSTJZSA-N 443.567 4.663 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1690580755 FHTAFDPYVUENCR-VUMQFKOGSA-N 441.664 4.987 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)[C@H]3C[C@H](OCC)C3(C)C)nnc2C(C)(C)C)cc1 1690681207 JKBHJOQEPRPYOQ-SFTDATJTSA-N 426.605 4.829 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CC)CCCC2)C1 1690706274 HPFITJVYNGZURU-GOSISDBHSA-N 430.543 4.899 30 10 IJEE CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N(CC)CC 1694868991 CDFRZYGLYZDELI-YADHBBJMSA-N 432.572 4.872 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)C1 1697210985 AWDGFJGRFIEBAP-NLFFAJNJSA-N 437.588 4.560 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)s1 1705535367 KNNKAVAEBIOVGP-UHFFFAOYSA-N 447.377 4.882 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1705606407 QZXCXICTVWOCLH-QGZVFWFLSA-N 445.995 4.704 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCO[C@@H]1CCCC[C@H]1C 1705606507 VPRVAJKHTABUIO-NTKDMRAZSA-N 431.584 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(COC)CC1 1705696236 GBARXTRZTZEJPB-HJOGWXRNSA-N 438.616 4.664 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705747147 GTWGYXIHBYZVKL-UEXGIBASSA-N 446.979 4.575 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccsc2Br)CC1 1705766003 JMXATKBMMAKXBK-UHFFFAOYSA-N 440.370 4.845 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1705808926 DTLOEFHQQADGRZ-DYESRHJHSA-N 430.980 4.871 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOC1CCCCCC1 1705875977 MBFBWFPRNYJZLM-QHCPKHFHSA-N 438.572 4.708 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCSC1 1705878820 BLCXDDRZVZLGFF-LJQANCHMSA-N 438.597 4.925 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1Cc2cccc(Br)c2C1 1705943305 UYMBXGQQVCJWAP-UHFFFAOYSA-N 442.386 4.542 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCC2(C)C)c1 1707332966 BAIILCNPRMVBGR-DVECYGJZSA-N 425.552 4.742 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1709009286 HTAVFFUCLXGRJK-GOSISDBHSA-N 445.615 4.596 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@H]2C)c1 1711710681 AGUPIGOHHKZVTK-BZUAXINKSA-N 446.393 4.891 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1722274851 AQWJBCIVANGMEY-HBFSDRIKSA-N 433.625 4.908 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](OC)C(C)(C)C 1722304566 ZPCSDRDPCLWCFT-KSSFIOAISA-N 439.387 4.683 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)s1 1722458388 HXMMXYXYBFTSPO-UHFFFAOYSA-N 439.448 4.763 30 10 IJEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccc(C)cc1 1722480404 QHUTZDVQOTWACC-MJGOQNOKSA-N 449.393 4.561 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[C@@H]2CC)CC1 1722560608 FSMXVSSZLVPQES-RBUKOAKNSA-N 440.588 4.954 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2CCCc2ccc(OC)c(OCC)c2)CC1 1722561846 AYKQPVZYOCOXNZ-UHFFFAOYSA-N 433.556 4.537 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(C)nc2)CC1 1722583557 XRJLMULONROYJT-UHFFFAOYSA-N 435.597 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722587760 ZTOWRXISVGVWQR-HOOSLVGPSA-N 445.007 4.974 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722611287 IOPKLSRIHTUROD-OAHLLOKOSA-N 427.902 4.638 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(F)(F)CC1 1722731366 LNJKDHCVHKQGKL-UHFFFAOYSA-N 445.901 4.842 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCSCC(F)(F)F 1740535590 RZKNNRPTTOVQFK-DOTOQJQBSA-N 440.535 4.788 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCO[C@H]1CCCC[C@H]1C 1740555895 CLIFVZNFXMPILJ-LQWHRVPQSA-N 430.980 4.564 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)c1nc(C)cs1 1740649552 XCEAECNDNSBOCB-UGKGYDQZSA-N 431.609 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCCN1CCC(C)CC1 1740729865 OKAYXIFESFAVSW-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(C)C1 1740736047 DPLCXLYJQUAGNW-UHFFFAOYSA-N 444.377 4.602 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1740743659 AYKVEVRDOKLAMC-RBUKOAKNSA-N 447.377 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1740776859 DRXKPIVQWQFUJU-NDEPHWFRSA-N 439.050 4.537 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740861021 YZDRQONRGNAHQS-SFHVURJKSA-N 429.565 4.648 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1740913746 SJIVSXLNVSFNCS-JOCHJYFZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1nccs1 1740916831 YPFBFZWUYRXWRF-NQIIRXRSSA-N 448.596 4.844 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCS2)C1 1740974068 BJAVMXHKNDMQSW-JKSUJKDBSA-N 439.412 4.929 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCCC[C@H]2C)C1 1740978503 WMBODVANXCKIML-WOJBJXKFSA-N 444.023 4.644 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CCO1 1742941927 CPWLUXXKOCJBNS-SJORKVTESA-N 447.505 4.801 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1N(C)CCCC1(C)C 1748641408 GQMZMYBAXQUSSU-WAOWUJCRSA-N 444.023 4.650 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCC1(C)C 1748938938 JNIILZAERQEHCI-OALUTQOASA-N 429.609 4.636 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 1749137260 XEMOECNWLZOCPF-XMSQKQJNSA-N 447.410 4.944 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1scnc1C 1749260497 RXFLWOCZLKBCTF-UHFFFAOYSA-N 438.782 4.861 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nc(C(C)(C)C)cs2)CC1 1749341674 LZJOLNMGBQXGOY-GOSISDBHSA-N 429.634 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749359379 JVGPVEKZJFXKHX-NQIIRXRSSA-N 440.588 4.570 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 1749380934 BEKRJKLVDUFMGB-YWDMUFDYSA-N 438.616 4.926 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCOc1ccc(C)cc1 1749473833 RRJPJHGRHLEBAT-UHFFFAOYSA-N 433.375 4.779 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCOC1 1749548430 DMABEFSPJKTPDD-KRWDZBQOSA-N 439.541 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCSC1 1749550833 JVECWCKJHWUHQL-KRWDZBQOSA-N 426.611 4.961 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H]1CCSC1(C)C 1749551396 YYZFKSOMAQUGQD-INIZCTEOSA-N 426.615 4.521 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1749622325 SCIMDAWTRKQMTF-MRXNPFEDSA-N 445.995 4.914 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1C 1749687050 JOBFHAZKVDKRON-OAHLLOKOSA-N 442.361 4.638 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C(F)(F)F)CC2)cc1 1749687444 SDMVXXGSMOROSK-LJQANCHMSA-N 436.478 4.521 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CCc1nnc(C)s1 1760339898 APAUSMZKAKQXJK-UHFFFAOYSA-N 428.631 4.684 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760341559 JDBKFISDSYNPLF-HHXXYDBFSA-N 438.494 4.767 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOCC(F)F)CC1 1760398772 MAONJUOLGRFLHQ-UHFFFAOYSA-N 428.886 4.812 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](C(C)C)C1 1760414698 ZAGMCWVIZGBWSI-HXUWFJFHSA-N 438.645 4.697 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(C)(C)O)c1 1760498020 BRYZRSUZOJXABL-UHFFFAOYSA-N 446.551 4.950 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(C)CCCO1 1760500227 FUJMEUTWKIJYNZ-SANMLTNESA-N 449.599 4.561 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccnc(OC3CCCCC3)c2)C1 1760535672 VIMQQNLDKFGIJG-KNQAVFIVSA-N 439.604 4.728 30 10 IJEE C[C@@H]1C[C@H](CCn2c(CC(C)(C)C)nnc2N(C)[C@H](C)CC#N)CN1Cc1ccccc1 1762739700 FKAXXEMAZMMZIV-XPNTWCBSSA-N 436.648 4.906 30 10 IJEE COc1ccc(/C=C2\SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)cc1OC 1772737777 MROQAUNJSZBGBW-NVGQKUQCSA-N 438.534 4.672 30 10 IJEE Cc1c(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)n(Cc2ccco2)c(=O)c1C#N 1772741286 DPGKUNQGRCQHJV-UHFFFAOYSA-N 447.329 4.718 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C/c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 1772758910 HGFFKCUITZYALW-ISIQRHQGSA-N 448.523 4.991 30 10 IJEE N#Cc1c(O)nc(SCC(=O)OCCCc2ccccc2)nc1-c1cccc(Cl)c1 1860463643 LSJBNTNWWMIILT-UHFFFAOYSA-N 439.924 4.642 30 10 IJEE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1CNCC(=O)Nc1ccccc1C#N 1860720544 HWBZALLMAURRBJ-UHFFFAOYSA-N 449.864 4.730 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862417949 BLMOGGYWPJRYNR-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)c1 1862433650 HTMSWPNAKQYHAD-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Br 1862439580 MMHNRPQTSGXJIU-KRWDZBQOSA-N 432.701 4.867 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862442049 OTKAAGWRPUPNOG-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)ccc1F 1862507976 VXJRNEDVTIFSDD-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862519543 MQNQTODHYAWXAH-YCRPNKLZSA-N 437.492 4.550 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(O)c1 1862523494 IULNIYGGMPYFQS-KPZWWZAWSA-N 430.298 4.532 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862560925 OOIOXPSBNFJHCU-QHCPKHFHSA-N 441.462 4.668 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 1862678070 NFPIGUZWNWKMDR-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 1862714822 HQLSZKVKJCBQPC-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862716378 FSMFUHKFVPBMPS-FPTDNZKUSA-N 446.459 4.830 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCCO)c1 1862722735 XWWKAMKQIJSNMP-XMMPIXPASA-N 427.500 4.623 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862725802 SEGKNSVLOJJZCO-HSZRJFAPSA-N 449.453 4.857 30 10 IJEE CCc1ccc(-c2nc(CC(=O)N[C@](C)(CC)C(=O)Nc3ccccc3C#N)c(C)o2)cc1 1867179793 AXGJSDGPDSLDHS-AREMUKBSSA-N 444.535 4.550 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H]2c2nc3ccccc3s2)nc(CCOC)n1 1869097646 ULXGENMCRNQIOX-IBGZPJMESA-N 435.597 4.795 30 10 IJEE N#Cc1nnn(Cc2c(Cl)ccc(Cl)c2Cl)c1NC(=O)c1ccc(F)cc1F 1870113168 QBHKLZYYDHUOAH-UHFFFAOYSA-N 442.640 4.689 30 10 IJEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1OCC 1870140674 DHSRTYASORDHER-NTEUORMPSA-N 445.523 4.712 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CN2C[C@@H](C)C[C@H](C)C2)cc1=O 1870412946 OSSFGYJZJYTQSY-SFTDATJTSA-N 428.621 4.641 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCN(C)CC2)cc1=O 1870414747 YRHYHJNXKLDMCM-UHFFFAOYSA-N 446.035 4.647 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(F)c2)cn1CCCOC(C)C 1870615735 QTCWTUNGXZOVGW-UHFFFAOYSA-N 428.548 4.556 30 10 IJEE CCCN1COc2ccc3c(c2C1)O/C(=C\c1cc(Br)ccc1OC)C3=O 1871346718 SPSHKEDGHXJXNQ-GRSHGNNSSA-N 430.298 4.636 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871415205 VPYPHQOHYLQOEI-OYKKKHCWSA-N 446.455 4.806 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871420555 CTVIIVGLOJHIBM-FMCGGJTJSA-N 431.419 4.662 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4)cc(C)c3C2=O)cc1 1871420890 OVRPZCBDETYNQP-OYKKKHCWSA-N 427.500 4.869 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCC)[nH]c(=Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 1871593608 LJNLNXLCTJORSD-UHFFFAOYSA-N 440.901 4.522 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871908036 QUALYGYXWBSCKU-JOCHJYFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872523433 LYASUHQGWFOILV-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c1 1872779045 AFTFMFNISFOJOG-IEXSPKMKSA-N 426.444 4.995 30 10 IJEE C=CCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873081077 CBQHBPTZAKVIRY-UHFFFAOYSA-N 426.491 4.591 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2cccnc2)C1=O 1873113199 MBTAYLCQRGSQOB-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE CC(C)(C)n1ncc(N/N=C/c2cccc(Oc3ccccc3)c2)c(Br)c1=O 1873527047 IWSKVMHFWQWMKX-YDZHTSKRSA-N 441.329 4.999 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1873792976 WZNHOUIACSFZPC-BRJLIKDPSA-N 439.302 4.677 30 10 IJEE Cc1cccc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SCCO)c1 1874198571 IJYWSMKONHYDLJ-NLRVBDNBSA-N 446.576 4.718 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(OCC)c(OC)c2)cc1 1874256503 DYCGPOGCRRVJGT-BUVRLJJBSA-N 440.569 4.821 30 10 IJEE CCc1ccc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SCC(=O)OC)cc1 1874270093 DUUALURQNIMWQO-WGOQTCKBSA-N 444.560 4.732 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(OC)c1O 1874279226 AHGFQFXQFNERJR-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE COc1cc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)ccc1O 1874384462 PVLYNMBYEMLYFI-MFKUBSTISA-N 446.532 4.746 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1/N=C/c1c(Cl)cccc1Cl 1874431869 BWRLAMDWOPKTIC-YSURURNPSA-N 448.379 4.704 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OCCC)nnc2C(C)C)cc1 1874515177 UEZWEQSTEHKRAP-HZHRSRAPSA-N 432.590 4.898 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OCCCO 1874622762 UCGMBEMPXFORFO-KPKJPENVSA-N 427.497 4.948 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2cccc(OCc4ccccc4)c2)C3)OC1(C)C 1879732976 NVXBEOLUQOPQAK-LVXARBLLSA-N 433.357 4.964 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 1890933389 QFNKCZMZBXIWSB-ZDUSSCGKSA-N 449.370 4.999 30 10 IJEE N#CC1(c2ccccc2)CCN(C(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)CC1 1892355410 FHZGSNPASIGBLG-IBGZPJMESA-N 430.577 4.597 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(F)cc1Br 1898226419 YISMVYORJMLELS-ROUUACIJSA-N 427.358 4.936 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922135252 YULGMXGPYQUREQ-ZEQRLZLVSA-N 441.568 4.621 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@H](c4cccs4)CS3)COC2)cc1 2006830011 RKAGBACBJMZXRO-QFIPXVFZSA-N 449.645 4.953 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NC 2028847285 BTICLGQUABXNLS-SJORKVTESA-N 429.786 4.540 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 2038295811 DCLBHTZBVGLFOK-SWWFSWNPSA-N 443.544 4.728 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CO)c1Br 2079844656 OBCARXPUNKCFEP-LURJTMIESA-N 435.137 4.924 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 2159124622 IXFJHBKOHRHIHI-MSOLQXFVSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(c2ccc(Br)cc2C#N)C1 2174814184 FMVWWOVTMMCWCE-HNAYVOBHSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)NC1(CCC(=O)Nc2cc(Br)ccc2C#N)CCCC1 2181103794 SFBPVKFAPFIFAK-UHFFFAOYSA-N 436.350 4.877 30 10 IJEE COc1cc([C@H](O)C#Cc2ccccc2Br)ccc1NC(=O)OC(C)(C)C 2235736618 ZKXRYQYDWMWTCP-GOSISDBHSA-N 432.314 4.890 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2255852987 KLCZNOFUOYNJGJ-QAQDUYKDSA-N 430.354 4.522 30 10 IJEE C#CC[C@H](C[C@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C1CC1 2256708259 ZIHTYDMVPITRNG-RPWUZVMVSA-N 440.628 4.858 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(F)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2281015783 ZSRQZFMWAMGSRM-UHFFFAOYSA-N 445.304 4.869 30 10 IJEE CC1(C)OB(c2cccc(N[C@H]3CN(Cc4ccccc4)C4(CCCCC4)C3)n2)OC1(C)C 2281505272 NGYKSGPRGYRWET-JOCHJYFZSA-N 447.432 4.770 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@@H](O)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296278066 ZXTYGOAXRFGQPO-AVRDEDQJSA-N 436.390 4.835 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)C(F)F 2296296479 OFIHTZMTWJCGAI-NVXWUHKLSA-N 445.348 4.575 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C 2296308421 IKHGPQCRTCYPLQ-AQNXPRMDSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)C(C)C 2296310047 DOZJEJYEVDZCMH-UXHICEINSA-N 437.422 4.966 30 10 IJEE CCCOc1ccc([C@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2296923533 QBPJPOLIVOYSBP-QHCPKHFHSA-N 446.478 4.631 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccccc3F)ccc2O1 2297745042 STAWKSGLCMVKCJ-VOIUYBSRSA-N 443.474 4.771 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2306614523 GLBFJBPHNIKHDW-NBGIEHNGSA-N 430.589 4.944 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1c(C)cccc1C 2320997933 DVZZEGVTLDIBJX-UHFFFAOYSA-N 449.580 4.635 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CCc2ccc(Cl)cc2)cc(Cl)c1OC 2322115117 RHUBDGHFERQENI-UHFFFAOYSA-N 437.352 4.558 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(C24C[C@H]5C[C@@H](CC(O)(C5)C2)C4)CO3)C1=O 2322226460 RDDWFYLIVQHFJD-AALNIOGOSA-N 449.572 4.908 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2322687586 PWSTWZIYAWRJPN-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2323201644 WFICAVJWTPPQGV-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE CCCOc1c(OC)cc(C=NNc2nc(-c3ccccc3OC)cs2)cc1[N+](=O)[O-] 2323852042 JZMZFGHIZBZKMU-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OCC(=O)OCC(C)C 2324025524 KZBXTJUFSRJSRR-UHFFFAOYSA-N 442.508 4.577 30 10 IJEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 2324041929 GHXFFPVJFBGDDH-UHFFFAOYSA-N 425.437 4.616 30 10 IJEE Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccncc1)C2=O 2325055511 KCCOZQWIPMKGNL-UHFFFAOYSA-N 434.879 4.986 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCO)n2N=Cc2cccc3ccccc23)cc1 2327225153 XGYLBMWDISOAPD-UHFFFAOYSA-N 446.576 4.718 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)c1 2327469563 UUPLFCFHKCNTMW-UHFFFAOYSA-N 439.491 4.680 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccccc1C 2329517542 LJBKFSROLHPYOS-UHFFFAOYSA-N 436.581 4.608 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1OC 2329622624 QBFSQMOMLLEEPY-UHFFFAOYSA-N 444.944 4.535 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)OCC(C)C)nnc1[C@H](C)c1ccccc1 2330133612 ZBZMSZVIFIMIRY-LJQANCHMSA-N 436.581 4.912 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C)cc2)cc1 2331122124 ORMWSRRUBXKZPJ-UHFFFAOYSA-N 447.486 4.781 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2)c1 2331377080 FVNOLTNZHNJLPE-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2cccc(OC)c2)o1 2331391917 UYQQGJQAJIYVKL-UHFFFAOYSA-N 442.541 4.528 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cnccn1 2331854146 UKNZKENWLBKHSR-UHFFFAOYSA-N 432.476 4.616 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2339194545 ADGJTSDQKLGWRB-WMZOPIPTSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CC1CC1 2339575354 VMJYRCZTIWRBLG-IBGZPJMESA-N 444.381 4.798 30 10 IJEE C[C@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339582809 SHBZPGZWHBFQEV-PKOBYXMFSA-N 444.381 4.751 30 10 IJEE CC(C)[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2341386615 KWECWINWRRLKRW-LJQANCHMSA-N 446.397 4.997 30 10 IJEE Cc1cc(CSc2ccc(Br)cc2N)cc(B2OC(C)(C)C(C)(C)O2)c1 2369739660 YBICBFYBTSUTPK-UHFFFAOYSA-N 434.208 4.931 30 10 IJEE C[C@@H](c1cscc1Br)N(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2371990097 AJCACXKYDWIFLS-NSHDSACASA-N 441.175 4.541 30 10 IJEE C=CCN(CC(=C)Br)[C@@](C)(C(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1 2374004914 WDNSPQXSTBOQDJ-HXUWFJFHSA-N 439.350 4.730 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Br)c2)cc1 20884970 JDBVQRHOVYKUNC-LPHOPBHVSA-N 440.337 4.852 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)Nc1cccc(Cl)c1 20905238 UBKLHUIQTAOYAQ-FSJBWODESA-N 436.928 4.788 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(Cl)cc2)Nc2ccc(F)cc2)c1C 32973413 UHVQLMOHVDDWTO-UHFFFAOYSA-N 441.938 4.753 30 10 IJEE COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2C)cc1 100347189 MDIMDDODPXNWGD-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE C=CCn1c(-c2sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)nc2C)n[nH]c1=S 105702278 OMCSUKBLSXRLCO-OLZOCXBDSA-N 431.974 4.954 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCCN(Cc3ccccc3F)CC2)c1 109966852 LBTLUBCMRIJQTG-UHFFFAOYSA-N 443.522 4.624 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170142450 YDVUYZMMRCTXGW-QFIPXVFZSA-N 439.427 4.558 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1OC(C)C 170150612 QAOKZRHMNZLUAT-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 170230703 KJHBTAXAOHRBHJ-HXUWFJFHSA-N 449.304 4.623 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170285542 FUKGRPZMLFRZQB-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccc2OC)c1 170419495 AJKHANGOHYMLRC-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 170432206 QKNSZAIKGIRIHP-HXUWFJFHSA-N 440.496 4.959 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCOc2ccccc2Cl)nc2ccccc12 170577184 KFRAYPRYOLDZGS-UHFFFAOYSA-N 431.883 4.662 30 10 IJEE COC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccc(F)cc1 466560457 ZNZAHVMUHURKNE-DEOSSOPVSA-N 435.474 4.936 30 10 IJEE CC(=O)N(C)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 467419766 OYCWOYPLXDIIMB-UHFFFAOYSA-N 430.483 4.914 30 10 IJEE N#Cc1ccc(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1C(F)(F)F 480122443 WZTWMZGLLHOXRN-INIZCTEOSA-N 431.462 4.813 30 10 IJEE C[C@@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488827955 BGLJHKZIPOWTTQ-MRVPVSSYSA-N 436.971 4.993 30 10 IJEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508919843 HSWYULCOKAZAOP-QGZVFWFLSA-N 449.584 4.507 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(OC)c(OCC)c(OC)c1 526800251 XJKKZAVMJNJYHJ-IWIPYMOSSA-N 440.569 4.821 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ncn(C2CCCCC2)n1 541793607 DPWICIWCXXQLJK-UHFFFAOYSA-N 436.329 4.905 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 555241069 YFWVCJHABNPMQX-LJQANCHMSA-N 444.505 4.810 30 10 IJEE C=CCN(C(=O)c1cc(F)c(Br)c(Cl)c1)c1nc(C(=O)OCC)cs1 569643910 SDMOEVJBFZLRMP-UHFFFAOYSA-N 447.713 4.708 30 10 IJEE COc1ccc(C[C@H](C)C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)cc1F 758082492 GHBSJWALJVVSJK-LBPRGKRZSA-N 436.459 4.696 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c1=S 764915912 SRFFDQWOFRWGIT-KNQAVFIVSA-N 436.581 4.599 30 10 IJEE C=CCn1c(-c2cnccn2)nn(CN(CCCC)Cc2ccccc2Cl)c1=S 764965092 IBPIRQBBJAIQGU-UHFFFAOYSA-N 428.993 4.970 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cncc(-c2cccc(C)c2)c1 768672921 FJJMXDXTKWJCDL-IBGZPJMESA-N 443.503 4.558 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1 919838003 VVXYYOLSRDLWJU-BMRADRMJSA-N 434.517 4.916 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 1124606697 CJIDAVGXVQBWEI-UHFFFAOYSA-N 427.453 4.635 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1125372582 JDIYQGFCSPYZPD-JOCHJYFZSA-N 440.515 4.711 30 10 IJEE C=CCc1cc(CNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC 1125544724 PENNPWDOMXEYFT-UHFFFAOYSA-N 446.334 4.855 30 10 IJEE C#Cc1cccc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1135432763 FELXYZTVJUJXFN-UHFFFAOYSA-N 432.545 4.509 30 10 IJEE C#CCN(CC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C)C(=O)OC(C)(C)C 1137488214 XSBYYMMBZYUCAC-KRWDZBQOSA-N 427.570 4.508 30 10 IJEE C#CCCCCNC(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1137508595 AAUIFMXIMMGAMR-RUZDIDTESA-N 430.548 4.780 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cccc(OCc3ccccc3Br)c2)CC1 1155857944 NRZFBOKABHLFGZ-UHFFFAOYSA-N 430.342 4.571 30 10 IJEE C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1160211590 UWGIKECUBRUYKD-LJQANCHMSA-N 428.573 4.998 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 1184410728 LZJJMHMGRKYZEL-HOYKHHGWSA-N 432.992 4.869 30 10 IJEE CCC1(CC)CN(C[C@@H](O)COc2ccccc2C#N)c2ccc(Br)cc21 1192411816 BCPKXYBVRVCHHM-GOSISDBHSA-N 429.358 4.638 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2C[C@H]2c2cccc(OC)c2)cc1OC 1202824237 OZMUVWWRKNIDRS-HKUYNNGSSA-N 432.358 4.924 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2cccc(C)c2C#N)c2ccccc2Cl)cc1 1209926679 CLABNVCAQDPTOZ-QFIPXVFZSA-N 426.925 4.597 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1F)c1ccc(C(F)(F)F)cc1 1211148989 PQUCTGIJIITFGS-QGZVFWFLSA-N 445.434 4.617 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CSCc2ccc(Br)cc21 1215514873 FXLASAXRWHSVLA-QGZVFWFLSA-N 435.318 4.710 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F 1219995760 NPBDBZJIXIRUAX-CYBMUJFWSA-N 437.940 4.648 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C 1251831144 SHJFORXQYHVBNJ-FCEUIQTBSA-N 429.605 4.899 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)c1ccc(Br)cc1 1275465019 RFXMSOHUQAHQRN-LIRRHRJNSA-N 425.330 4.578 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCN1CCC[C@@H](C)C1 1286272230 AKNXSQPKWYDYAP-MOPGFXCFSA-N 445.558 4.517 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286318869 BWIRQXGSKVEGBT-WMLDXEAASA-N 426.870 4.558 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC1CCC(F)(F)CC1 1286441775 UNPBADINIRFXQR-UHFFFAOYSA-N 437.332 4.993 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1286447344 NIAFHHMIBAHFEE-RDGATRHJSA-N 447.652 4.781 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1C1CCC1 1286498092 AFXKQAARZMISRQ-IBGZPJMESA-N 445.430 4.843 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1286503764 KFONJEMMRMFTES-KRWDZBQOSA-N 425.627 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnc(C)s1 1286518550 GQZKHHJVCRZFHK-MHECFPHRSA-N 435.597 4.840 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCCCC1 1286519242 UUDNRWCPMIAWBJ-NTKDMRAZSA-N 440.563 4.635 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CCc1nc(C)c(C)s1 1286584103 XOFQRCQEHBQPMX-UHFFFAOYSA-N 429.565 4.715 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1286599215 QDDHZNFLIUZDDD-DNVJHFABSA-N 437.632 4.878 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccco1 1286603016 IZBUIIJADFOHBW-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccc(C(F)(F)F)n2)CC1 1286653644 CPBIKRZDPVZCJH-UHFFFAOYSA-N 443.473 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCCCC2=O)CC1 1286654926 IMRHPSNANFPXSR-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(SC)CCN(C)CC1 1286718696 AWCMNSHTLSXHIC-UHFFFAOYSA-N 427.662 4.692 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(C)(C)COC)C1 1286802808 WIIVRYYAVOCDPH-MJGOQNOKSA-N 444.645 4.585 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CCC)CCC2)C1 1286808550 XFXJQBHXADUYTQ-SFHVURJKSA-N 430.543 4.899 30 10 IJEE Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)c1cc(C#N)[nH]c1C 1293737131 DOGWMWXGHTZLIV-LLVKDONJSA-N 429.343 4.880 30 10 IJEE C#C[C@H](NC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1)c1ccc(Cl)cc1 1298926287 QDOXPPMUBVPRHA-FQEVSTJZSA-N 448.906 4.714 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C(C)C 1300362684 TUHNCHWZUIGRNY-SFTDATJTSA-N 443.636 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1300813461 KURDOHHQFPCMQK-CAKYRVLISA-N 434.628 4.897 30 10 IJEE C=C(Br)Cn1c(N2CCC(C)(C#N)CC2)nnc1C1(c2ccccc2)CCC1 1300861168 AVGPLXWQIBSHLQ-UHFFFAOYSA-N 440.389 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1nccs1 1300900204 ABYBXDMXMPFVSS-ZDUSSCGKSA-N 435.395 4.698 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1300916223 VAEXFCWITLGUKO-ZWKOTPCHSA-N 426.458 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)OCCc2sccc21 1300919155 XAZHARSCBYCMQA-QFIPXVFZSA-N 443.642 4.586 30 10 IJEE C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1300952120 MBSZUSQHKKQCBK-KRWDZBQOSA-N 441.567 4.524 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 1301095057 AGISFQAVHSAZGP-NHCUHLMSSA-N 438.616 4.984 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCO[C@H](C)C1 1301167863 GRICTVZHVQJMDJ-UXHICEINSA-N 440.588 4.714 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCC(F)(F)C1 1301422165 ATQXOUXTTGUYFU-KRWDZBQOSA-N 443.498 4.674 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1301432751 BOPKEGXOCKVXNV-ACRUOGEOSA-N 441.595 4.834 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1305438420 FZXDDSCMMDVBFD-HYBUGGRVSA-N 434.632 4.832 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 1307452014 BSDKLXXZAIOTLK-JPYJTQIMSA-N 443.950 4.805 30 10 IJEE C=C(Cl)C[C@H](NCc1ccc(OC(F)(F)F)c(Br)c1)C(=O)OCC 1308899847 CRFVATQZCHCQNH-LBPRGKRZSA-N 430.648 4.512 30 10 IJEE CSc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C#N)C2)N2CCc3sccc3C2)cc1 1311451205 GLUFFNFUUQTQKK-LAUBAEHRSA-N 440.638 4.515 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(Br)ccc1OC)c1ccc(Cl)cc1F 1312938540 WLMARLRHNAAAEC-QGZVFWFLSA-N 439.712 4.766 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(Br)c(C)c3)s2)C1 1323603601 KBINHBQLKVGDLN-OAHLLOKOSA-N 436.375 4.614 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)COc2ccc(Cl)cc2C2CCCCC2)c1 1354647764 YTTWJJOWXNWKDY-UHFFFAOYSA-N 438.955 4.845 30 10 IJEE C=C(C)COCCNC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1356039401 DWBNHIXKBNNVCD-KRWDZBQOSA-N 431.360 4.610 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccc(Cl)cc2)cn1 1357127514 AHKOHHCMIZRWIQ-UHFFFAOYSA-N 434.927 4.603 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnc(C)s1 1358872742 YJKJUNXPZLRFNN-CVEARBPZSA-N 444.004 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCC[C@H](C)C1 1359109587 HDRXZOZWUKPVMH-SFHVURJKSA-N 432.012 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359191513 CJBOMDIKRSSTDF-MOPGFXCFSA-N 429.584 4.517 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)nc1 1359260876 QOQZSNBAQIRHBO-UHFFFAOYSA-N 448.933 4.692 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCSC1 1359260992 UAQFCQPWKOUOPZ-NQIIRXRSSA-N 430.593 4.995 30 10 IJEE CC(C)c1nc(C(=O)NCc2cc(C#N)ccc2F)nn1-c1c(Cl)cccc1Cl 1360880380 AGAJRBUTJCXNJF-UHFFFAOYSA-N 432.286 4.638 30 10 IJEE COC(=O)COc1c(C)cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)cc1C 1436545650 FTGFPGIJIAUCEH-DOMZBBRYSA-N 426.538 4.727 30 10 IJEE N#Cc1ccc(N2CC[C@@H](Sc3nc4c(Br)cccc4s3)C2=O)cc1 1459060962 GIZXSQWCHDRDBS-OAHLLOKOSA-N 430.352 4.828 30 10 IJEE CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Br)c(C#N)n3)s2)cc1 1461103226 HNDJTVFZPWUMDM-UHFFFAOYSA-N 443.326 4.799 30 10 IJEE CC[C@H](CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C)Oc1ccccc1Cl 1463246013 FJVPMJOHWFXSLS-OAHLLOKOSA-N 434.970 4.871 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)cc(I)c1C)C(C)(C)C 1467103783 DSXAKFKAWUJKEG-CYBMUJFWSA-N 449.130 4.532 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 1467572390 MNEOOCJQYDKUQP-ZEQKJWHPSA-N 429.564 4.926 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1467701905 FEQYJEJBACHEKD-FCHUYYIVSA-N 445.519 4.544 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)c1ccc(Br)cc1 1478308820 RWBOITAOPYUNQS-XLIONFOSSA-N 436.353 4.770 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 1493695705 GUVHPRXDLSGSCS-VIZSFHNOSA-N 434.632 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H](OC)[C@@H](C)CC 1507761199 KSJUHRIRISIHFY-DKZVUGQWSA-N 445.405 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)CN1CCCC1 1507761728 PZBWAHQOOCTCDM-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCCc1ccccn1 1507798767 WZSDNFVUJLXQQN-UKILVPOCSA-N 445.611 4.953 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1507820409 CQFOHPOFXLZZEC-HSZRJFAPSA-N 439.648 4.651 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1507880098 ZXZCRUNMWYXVIX-CTNGQTDRSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1507880540 KAYOELMGLXWDKL-PZJWPPBQSA-N 439.560 4.851 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1507881793 YOVLIJJYBXFDQO-NHCUHLMSSA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nc(C)c(C)s2)CC1 1507898444 YUIDOPDIBUZFRY-UHFFFAOYSA-N 438.557 4.572 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(OC)cc2OC)CC1 1507905972 XSZYGPMUQHKEFO-UHFFFAOYSA-N 438.597 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCCCS1 1507973257 XHUQDGCNYJNHKD-HNNXBMFYSA-N 437.407 4.624 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC1CCC(OC)CC1 1508009364 ZYMSXWDVPLLFJQ-GPJFCIFZSA-N 430.618 4.631 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1508050436 FCAFTWLNYDFGGI-GDBMZVCRSA-N 437.357 4.674 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@](C)(OC)C1 1508107379 CMUKHTLRONZOBZ-DEOSSOPVSA-N 438.597 4.549 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(C)C)C1 1508117919 POBBYOANEDMWOG-AWEZNQCLSA-N 425.396 4.597 30 10 IJEE COc1ccc(OC)c(CCCn2c(-c3ccc(C)o3)nnc2N2CCC(CC#N)CC2)c1 1518314593 BRVVDDMCERCIQA-UHFFFAOYSA-N 449.555 4.627 30 10 IJEE C=C[C@@H](CC)CC(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1523059970 UHPYBTKPVLMTTP-YGRGUWMTSA-N 427.353 4.748 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CCCN1C(=O)OC(C)(C)C 1526921605 XEOVUMDKAJCGKN-MPCDZSKCSA-N 443.588 4.585 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CCCN1C(=O)OC(C)(C)C 1529560897 GOWOPEQNBAIAOX-IBGZPJMESA-N 446.853 4.970 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 1529683796 KNTAOIBOKWFXQE-QGZVFWFLSA-N 442.353 4.912 30 10 IJEE C=CC[C@H](OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1 1530228998 ISBIKVJLEHLHGO-AVRDEDQJSA-N 447.318 4.621 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)C(F)(F)F)cc1 1532569598 BLBMPOGJSGUKAR-FGSXEWAUSA-N 437.458 4.852 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1ccccc1 1534343886 IVZXLOHNHAAIQH-SKPFHBQLSA-N 440.609 4.791 30 10 IJEE C=CCC1(C(=O)N2C[C@@H](C[C@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)CCC1 1536017316 PYNZFQUWMYABJK-UXHICEINSA-N 440.584 4.889 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCCC)ccc1Cl 1538931083 VGJKUDWCWGUYBO-UHFFFAOYSA-N 427.353 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCSC1(C)C 1538984726 OTKXQMXCMPTVOW-CHWSQXEVSA-N 439.448 4.759 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@@H]1C(C)C 1539005216 YAVRIYFYYYRHLH-JXHRLWIKSA-N 433.556 4.509 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)C(C)C 1539298989 CGQUFCZEAJOSPN-QHCPKHFHSA-N 441.000 4.683 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc(C(C)C)cs1 1539300203 SDQVPKSXGZELCZ-OAQYLSRUSA-N 431.609 4.911 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1Br 1539514817 VIABSKCTEVBZKB-UHFFFAOYSA-N 433.419 4.701 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)[C@H](C)C1 1539607228 APNSKLDVPWOFGW-NVXWUHKLSA-N 433.394 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C(N)=O)cc1 1539656109 TZPPEHUQSFIRNB-QGZVFWFLSA-N 449.624 4.681 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1539691378 XPNVNCCBSCGEIQ-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)(COC)CC1 1539715973 MHHBKYGJJLIRPJ-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2C[C@H]1CO2 1539952475 DPGJLHAJWQSHAC-HOTGVXAUSA-N 435.341 4.571 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1539965980 CSYJPBDINXVXLK-DNVJHFABSA-N 429.653 4.619 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(COC(C)(C)C)c1 1540080253 AYGDMJVOZCCSCT-UHFFFAOYSA-N 425.602 4.619 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cc(C)cc(C)c1 1540092079 FUPCDKHPJCZZFW-OYRHEFFESA-N 439.604 4.531 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)OC 1540139354 FPSCFEHPLBIGNO-TZIWHRDSSA-N 444.595 4.953 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCCO1 1540180866 XQRAPIAEXFEKLO-NRFANRHFSA-N 437.975 4.798 30 10 IJEE C=CCn1c(SCC(=O)N2CCO[C@H](C(C)(C)C)CC2)nnc1-c1ccc(Cl)cc1 1540255391 XKOVDMJVRZMVQM-SFHVURJKSA-N 449.020 4.540 30 10 IJEE C[C@@H](CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(=O)c1ccc(Cl)cc1 1546137833 GKKKLTFHKJORCD-ZDUSSCGKSA-N 427.291 4.898 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1546593613 BXEKDADMLULZTH-IOMROCGXSA-N 434.613 4.806 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1554357844 HYNZXJDPMLEPDC-HYBUGGRVSA-N 441.023 4.849 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1C 1555546648 CPOSJZMILJGZQO-UHFFFAOYSA-N 447.564 4.789 30 10 IJEE CS[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1)C(C)(C)C 1555848341 FEDYCBNZXDSCCQ-FQEVSTJZSA-N 439.629 4.744 30 10 IJEE C[C@H](C#N)CN(C)S(=O)(=O)N(Cc1ccc(-c2ccccc2)s1)C1CCCCC1 1561329341 BSHUDCXVRKQMHR-GOSISDBHSA-N 431.627 4.886 30 10 IJEE CC[C@@H](Cc1ccccc1Br)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl 1561485819 GXWGRKWVYFIRMZ-HNNXBMFYSA-N 441.778 4.616 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCc2ccccc2)nc1)c1ccc(Br)cc1 1562214979 IMOHZCUUBUPSFT-HXUWFJFHSA-N 436.309 4.919 30 10 IJEE C#CCN(C(=O)Nc1ccc(I)cc1F)[C@H]1CCCc2ccccc21 1563044553 NAKNBEAFFQKNQT-IBGZPJMESA-N 448.279 4.975 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(CN2CCC(C)CC2)c1)c1ccc(Cl)cc1F 1563407569 NPZHEJPJDLHTTG-HSZRJFAPSA-N 427.951 4.885 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](NC2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 1564406385 FGCPVUNWYHFAIZ-SFTDATJTSA-N 439.522 4.655 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N(CC3CCCCC3)c3ccccn3)CC2=O)cc1Cl 1583168767 AEWOMJHYSNSYPD-LJQANCHMSA-N 436.943 4.573 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CC[C@@H]1[C@@H](C)Nc2ccnn2[C@@H]1C 1584443442 QOAKIYSUXORGLW-IIDMSEBBSA-N 449.368 4.771 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2n1 1585155387 HVALQRFUHVSWRT-UHFFFAOYSA-N 433.390 4.590 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCC[C@H]1C 1587921709 GQQZWAONKSNRKJ-OAQYLSRUSA-N 444.627 4.687 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CC[C@@](C)(CC)O1 1588186421 XXAMBMGYHMHVII-JIPXPUAJSA-N 441.579 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@H](C)C1CCC1 1589559399 QYEAQJYCKBHNRZ-QNIAMRLHSA-N 438.616 4.874 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1 1589567873 GLVFKVLGVQJHKV-ZJSXRUAMSA-N 449.599 4.585 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1589742000 CHPZEUXESAJRNZ-IBGZPJMESA-N 441.377 4.667 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1593807066 HUYURQBQSCFXIQ-KFKAGJAMSA-N 436.959 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1594483820 DXLUQKRPNYJJRJ-UHFFFAOYSA-N 434.588 4.876 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1594590884 DTGCWWUGJQJADJ-UHFFFAOYSA-N 438.919 4.821 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1595906018 VUAKGNSTNJDADP-IOMROCGXSA-N 428.602 4.645 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(CCc3ccccc3)nnc2N(C)[C@H](C)CC#N)C1 1612662032 BVDLIOSEKWPZCR-YPAWHYETSA-N 436.648 4.558 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1618312997 DHAAGPYHYFZCFP-WIYYLYMNSA-N 440.334 4.545 30 10 IJEE C#CC1(NCc2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)CCCC1 1621045002 GCOFHEXPTDWSPU-UHFFFAOYSA-N 446.469 4.767 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC2(c3ccccc3Br)CCC2)cc1 1622202638 NSEZUBWDMFPNEZ-UHFFFAOYSA-N 434.399 4.968 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(C(=O)OC(C)(C)C)CCCCC2)cc1 1625681256 LYPVIBJLXSOACI-UHFFFAOYSA-N 426.557 4.732 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1627747613 ZVOBTXFPVMTIBT-RDTXWAMCSA-N 425.356 4.773 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(Cl)c(Br)c(OC)c2N)c1 1627924084 DSSKTTNEADLTKG-UHFFFAOYSA-N 425.710 4.901 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 1634691528 JUXUYRDUYHADES-HNNXBMFYSA-N 449.960 4.987 30 10 IJEE C=C(CNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1635923221 CAYMQGXMPPWMQE-JOCHJYFZSA-N 427.589 4.769 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1637668360 CJINLRJCWLEZHR-OAQYLSRUSA-N 429.605 4.852 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1638565744 ZFRYJWBOWVCGCE-IAGOWNOFSA-N 442.478 4.692 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccccc2C)n1CC)[C@H]1CCCc2ccccc21 1639321901 IJFMALOACDSUAL-QHCPKHFHSA-N 444.604 4.905 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(C)(C)C 1641835012 HRQAGZBGIDJEIJ-ZEQRLZLVSA-N 432.564 4.714 30 10 IJEE C=CC1(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CN(C(=O)OC(C)(C)C)C1 1643373768 UYCGDBCZLSDADR-UHFFFAOYSA-N 432.524 4.982 30 10 IJEE C#CCN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)[C@H]1CCc2ccccc21 1644410947 QCBWATWADMZVJM-QHCPKHFHSA-N 426.482 4.819 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN(CCc3cccc(F)c3)C3CC3)c2C#N)C1 1644645007 CQRNWJSYZQWJNJ-MRXNPFEDSA-N 425.573 4.919 30 10 IJEE CCC(CC)CN(CCC#N)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1648612375 DGSOWSAJJWNNHA-UHFFFAOYSA-N 447.988 4.933 30 10 IJEE C#Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)cc1 1651310282 HLZWUIFOLBZARG-GMAHTHKFSA-N 438.543 4.698 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CCN(c2ccc(Cl)cc2F)C1 1651408083 UGMILDNONWQPIK-KRWDZBQOSA-N 437.740 4.622 30 10 IJEE CCCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Br)c(C#N)c1 1661100241 CGEWCTTYTWIZGH-UHFFFAOYSA-N 445.741 4.714 30 10 IJEE C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Nc1ccc(Br)c(C#N)n1 1663862429 FENZEGAALDFJLL-ZDUSSCGKSA-N 431.334 4.602 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCc3ccc(-c4ccccc4)cc3C2)c(C(F)(F)F)c1 1664197848 BLHMENNQCVPXMY-UHFFFAOYSA-N 442.462 4.991 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCCC(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1667450546 IDTGADIZNQYWAS-UHFFFAOYSA-N 443.588 4.978 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)c1 1668514765 GRFZEDWXRUEWKR-UHFFFAOYSA-N 435.524 4.708 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)ccc1OC(F)(F)F 1669353826 IFHYTJCHNHAOPD-HNNXBMFYSA-N 447.335 4.721 30 10 IJEE CC(C)(C)c1ccc([C@H](O)CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 1670182443 FPHRFWVCFYQUJO-HXUWFJFHSA-N 437.931 4.550 30 10 IJEE C#Cc1ccc(NC(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)c(Cl)c1 1673385927 HMFBUPUAIDHNDZ-UHFFFAOYSA-N 431.895 4.807 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)C(C)C 1673988164 FXPZHAGHDLDFJB-VWLOTQADSA-N 446.595 4.710 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1Oc1cccc(I)c1)C(C)C 1674436807 BIYSZCDTAKWROV-INIZCTEOSA-N 434.277 4.863 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)c1ccc(C(F)(F)F)cc1 1680633035 JGLFHOQHAUGZBU-QTWZMDIBSA-N 426.479 4.739 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cccc(OC)c1OCc1ccccc1F)c1ccccc1 1683675936 IMZUJAIEBIWFBS-HSZRJFAPSA-N 432.495 4.929 30 10 IJEE C=CCC[C@@H](NC(=O)NCCNC(=O)c1ccccc1F)c1ccc(C(F)(F)F)cc1 1685478669 HDOTWHSCVMMNPY-LJQANCHMSA-N 437.437 4.581 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](OC)[C@H](C)CC 1689863640 XXJJBQZFEBGBTD-XQBPLPMBSA-N 426.605 4.674 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H](C)SC 1690196439 KLXDQVSGCWVIDI-YVEFUNNKSA-N 425.421 4.513 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1690306858 HPGGXNWNVFJOMJ-UWJYYQICSA-N 442.560 4.705 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CC=CCC1)c1ccccc1 1690326281 YDHDBOAVZUFBBC-FQEVSTJZSA-N 447.608 4.776 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CN(C)CCCC)CC1 1690334611 VYUYUWDRTJSPPP-UHFFFAOYSA-N 446.983 4.554 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690353022 XCJWECBFNGXXLR-UWJYYQICSA-N 432.996 4.903 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](CC)N2CCCC2)CC1 1690368895 PJQFLVAHXVYZQY-LJQANCHMSA-N 429.996 4.638 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCC2CCOCC2)CC1 1690406725 QAHCNCXWQHFPSR-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1690412211 IGDUBDCLSUTMJV-XMMPIXPASA-N 435.660 4.948 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccnc(SC)c2)CC1 1690412578 WUOBWGHJOQIBIZ-UHFFFAOYSA-N 441.551 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](COC)C1 1690437565 IFXSKVFEECRUBB-OAQYLSRUSA-N 437.588 4.584 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1690506703 YSMSGXBBDZDPKR-NRFANRHFSA-N 434.588 4.596 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)s1 1690567831 QNMCAHGVGVZYPD-UHFFFAOYSA-N 432.597 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCc1cccc(C(=O)N(C)C)c1 1690577066 AWTGOWPDZXNSNR-UHFFFAOYSA-N 449.624 4.744 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCCCC1 1690603374 ACECVHUVGDYICD-QHCPKHFHSA-N 438.616 4.840 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1690737540 PFUNAODKSPEHGD-RTBURBONSA-N 442.629 4.752 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(OC2CCCC2)nc1 1691131783 DOFRTDUCPMATBI-UHFFFAOYSA-N 436.604 4.761 30 10 IJEE CO[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC#N)CC1)C(C)C 1697152500 FDBANOMHNWFUEG-XLIONFOSSA-N 441.645 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN(CC(C)C)C1 1705484486 POULZAGZALTDBD-ZWKOTPCHSA-N 431.987 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CC(F)(F)F 1705677732 ZOJSWEHVWXSAQU-QGZVFWFLSA-N 433.261 4.718 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C1CCCC1 1705708216 ZOYAKGOGZVDIEY-PSWRPDDJSA-N 430.637 4.947 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@](C)(O)CCC 1705713127 UBOGXVATCZGJKV-HXUWFJFHSA-N 439.373 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN(C)CC(F)(F)F)CC1 1705764103 OBWHVZCBQCHWLI-UHFFFAOYSA-N 427.902 4.639 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nccc(C(F)F)n2)CC1 1705772227 OSPZBRBWDKASJP-UHFFFAOYSA-N 442.539 4.811 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1705803008 BZUZRBNZGXZZQU-VXKWHMMOSA-N 440.588 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1ccncc1Cl 1705866424 QKXFDFXPYMCRKK-UHFFFAOYSA-N 436.972 4.999 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CSCCS1 1705877256 AFQKQOCJFVKBRT-FQEVSTJZSA-N 440.638 4.930 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC(OC(C)(C)C)C2)C1 1705920094 QBORMGRUQDNTIZ-GTMAMOSYSA-N 449.599 4.582 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1709068350 FNHZKNHTSPGOIA-LADGPHEKSA-N 433.600 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1722297681 MEHGKUQMPSJYKN-KPLVRAHFSA-N 439.654 4.533 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(Cl)ccn1 1722311773 ZGMQLTAWDMQXKN-UHFFFAOYSA-N 447.768 4.524 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1scnc1C 1722390016 ADNDJLCFYGBMKT-OAQYLSRUSA-N 447.608 4.505 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)CC=C 1722421290 OOPIBPZSJVQVLV-SFHVURJKSA-N 426.630 4.820 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1722456561 XMIXMFXNXRFMMO-SFHVURJKSA-N 441.626 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(CN2CCCCCC2)CC1 1722492289 RMYRSWMHCFPFNO-JRFVFWCSSA-N 443.680 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCC(F)(F)C1 1722518498 OGNXXMSXGLSZPY-FHWLQOOXSA-N 426.552 4.620 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1722546064 FMQDLDPNFSKUFB-HOCLYGCPSA-N 438.801 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1722547365 GLBGAMGRFCZISV-BEFAXECRSA-N 430.961 4.734 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1722593894 CBSJJDYWUURSNY-RTBURBONSA-N 449.521 4.555 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1cnn(C)c1C 1722594885 GNJUWZIQQHZSKW-UHFFFAOYSA-N 429.572 4.766 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1722603675 LECUMZCIZXDIQB-IBGZPJMESA-N 429.996 4.508 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCOCC(F)(F)C(F)F 1722637501 UXHPTWWJJVRSRZ-UHFFFAOYSA-N 441.256 4.791 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722654855 XJCDHBRPYBDBHJ-MHXAIHSWSA-N 440.588 4.534 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC#N)CC2)cc1 1722705901 JUIBOKJCESDKDA-UHFFFAOYSA-N 448.958 4.737 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)c2cccs2)C1 1722720726 FWGXNTNMHXWDEA-OAQYLSRUSA-N 436.625 4.998 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1722734981 GALRKUNAUURFLS-UHFFFAOYSA-N 429.952 4.615 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1csc([C@H](C)OC)n1 1727687131 HCDUJZVSOFSTSC-TWOQFEAHSA-N 436.585 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCC[C@H]1C 1740540424 ZKLCFQOZWFLJHB-JKSUJKDBSA-N 428.005 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740541574 CCSHREZYMCRNRX-CSODHUTKSA-N 445.007 4.906 30 10 IJEE C#CCCCn1c([C@H]2CCCOC2)nnc1N(Cc1cccs1)Cc1cccs1 1740592107 ZGAPJHLCIRMNNO-SFHVURJKSA-N 426.611 4.915 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCS1 1740728187 QECADEWGCCFOAX-MGPUTAFESA-N 449.393 4.734 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1740784186 NKEQDLZSTWRWDG-IBGZPJMESA-N 442.677 4.691 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H]2C)CC1 1740824725 AUVONXRZIGJTSQ-NJDAHSKKSA-N 443.636 4.985 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](CC)C1 1740864561 BKAVJJLTIZAWRZ-GOSISDBHSA-N 449.393 4.591 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@](C)(C#N)C1 1740871884 RPLLAISZDADOQW-HXUWFJFHSA-N 432.341 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1nc(C(C)(C)C)cs1 1748658698 VUJYXZXYZJZESW-KRWDZBQOSA-N 444.608 4.948 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCc1nccs1 1748687425 JUAWWSCDVMRZAO-OAHLLOKOSA-N 432.018 4.771 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1ccon1 1748703394 ZVBGHGATRMFNLZ-UHFFFAOYSA-N 448.752 4.789 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC)(CC)C1 1749022669 FKGYEWUSSPRLRK-UHFFFAOYSA-N 434.613 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@H]1C 1749054509 UJRJOTWVSHPUJC-KHCICDEESA-N 442.007 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@H](C)C1 1749359695 NRSWQNJDJWEPDB-QGZVFWFLSA-N 430.618 4.896 30 10 IJEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 1749381008 BEJWHPZEHDKOMH-FQEVSTJZSA-N 443.542 4.895 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1749385237 PFFWPJQUYGQWIG-TZBSWOFLSA-N 444.627 4.543 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCn2cc(C)nc21 1749466340 OZUGYOCGHIUQEW-MSOLQXFVSA-N 440.979 4.776 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CC1([S@](C)=O)CCC1 1749551390 YUIPPCRVGUNBBD-PMERELPUSA-N 444.601 4.640 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]2CC[C@@H]21)C(C)C 1749558833 YPPXVNMPSASBPM-LDVJMBRRSA-N 427.637 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCC2(C)C)C1 1749695671 HAERMXCEVXPECP-PMACEKPBSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CC=CCC1 1749746526 ZZZOFGSDNIGASH-HNNXBMFYSA-N 436.423 4.747 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](c1ccco1)N(C)C 1760106471 LFGWIUDRHIOLLN-RDTXWAMCSA-N 432.355 4.606 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCC(OC2CCCC2)CC1 1760158697 QJYGRJWNHCUGJV-UHFFFAOYSA-N 436.600 4.761 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCCCCC1 1760273951 CVUZUKNTTLBBDX-HXUWFJFHSA-N 442.629 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCSC(F)(F)F 1760296884 YQGSYYPBXUQQFI-HXUWFJFHSA-N 433.503 4.595 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760353186 JPAOPXANXIRSSC-LJQANCHMSA-N 442.604 4.818 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1760418622 VTAPTVWUAZPNQK-JTHBVZDNSA-N 431.584 4.953 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1760419413 QNJMGRGAMQRYJM-BVAGGSTKSA-N 449.599 4.728 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1 1760422567 NJHDAJDZRHPEFA-SFHVURJKSA-N 428.577 4.954 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@](C)(C#N)C1 1760442356 NQJPTMPWESSFTA-OAQYLSRUSA-N 444.377 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)c(OC)c2)n1[C@@H]1C[C@H]1CF 1760485510 GLRBYOIHIPHKCM-FUHWJXTLSA-N 428.533 4.747 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(Oc2ccccc2)nc1 1760493529 HDHHLCJSBFMIIT-QFIPXVFZSA-N 431.540 4.934 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1nc(C)cs1 1760499269 SWNUAHJIKZYTEW-WIYYLYMNSA-N 437.613 4.586 30 10 IJEE CO[C@](C)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1767988158 HDDBOPOQWQAFAS-UXHICEINSA-N 438.334 4.509 30 10 IJEE COc1ccc2c(c1)c(/C=N/NC(=S)NC(c1ccccc1)c1ccccc1)cn2C 1860500403 OVESYFGZDAPUGN-WGOQTCKBSA-N 428.561 4.775 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc(Cl)c2)c1 1862491400 SANSWGXTUWPWGJ-NRFANRHFSA-N 427.928 4.698 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862497746 RUVLQVFFMSSIIL-HSZRJFAPSA-N 435.520 4.840 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2)cc1 1862556108 PGTZTZPYBKCXLY-CMJOXMDJSA-N 446.478 4.756 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862558203 QPDBUXRVMYZQHO-QRQCRPRQSA-N 443.459 4.517 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Cl)c1 1862558306 VVUGWIZYFWCIDO-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc(Cl)cc(Cl)c1 1862679210 AHAFMVWUSCPDNS-GOSISDBHSA-N 438.282 4.747 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862681882 IDVYRAVFXIYSNR-NRFANRHFSA-N 427.472 4.611 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(C)cc2)c1 1862699737 XGGHRMSRSOLMAL-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862953484 MWASTNLESHVEMK-UHFFFAOYSA-N 429.426 4.795 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(CCc3ccc(F)cc3)C2=O)c1 1863446518 BBQKZSGWUGAWOT-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE CCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(OC(C)C)cc2)C1=O 1863696879 WEBMROABXGKNHB-QFIPXVFZSA-N 442.600 4.683 30 10 IJEE CCCC[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccccc1C#N 1866693929 CQJCBKOQZVMDGT-NOZRDPDXSA-N 440.547 4.593 30 10 IJEE C[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc(C#N)c1)C1CCCC1 1867021047 JCTCJSCYZDKKSM-MBSDFSHPSA-N 435.593 4.741 30 10 IJEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)nnn1-c1ccc(C(C)(C)C)cc1 1870145913 VOKHMSJBARMBRS-UHFFFAOYSA-N 431.540 4.851 30 10 IJEE C#CCOc1cn(CCCOCCCC)c(CSc2nc3ccccc3s2)cc1=O 1870299145 XHOHMVCTFADTJN-UHFFFAOYSA-N 442.606 4.969 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc3ccccc23)c(=O)cc1CN(CCC)CCC 1870700471 HSVNKHOBKWEXAJ-UHFFFAOYSA-N 447.579 4.827 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccccc2CC)cc1=O 1870838376 AMFRJEADLRXZNA-UHFFFAOYSA-N 427.589 4.508 30 10 IJEE Cc1ccc(C)c(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCO)c1 1871254089 QZVGZZLJIIEQJP-UHFFFAOYSA-N 445.563 4.691 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(N(C)C)c([N+](=O)[O-])c4)c3C)C2=O)o1 1871363619 HEXDPLOGEMSRPY-MTJSOVHGSA-N 448.431 4.706 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871872362 JZPWMCVEQVCEKX-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872083343 CLRAAPYODKRDEW-QFIPXVFZSA-N 432.561 4.762 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872157270 GYOPDOOTEKOVTG-PGRDOPGGSA-N 429.586 4.621 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1 1872510371 LJEOYHRDJNSKGX-QFIPXVFZSA-N 446.638 4.631 30 10 IJEE CCc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1 1872761592 QUFSGJBXDNNAFV-MRXNPFEDSA-N 437.477 4.788 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1c(C(=O)O)[nH]c2ccccc12 1873503189 BFDCXMQSRQSRMC-WYMPLXKRSA-N 437.500 4.724 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(-c3ccccc3C)cc2)cc2c(NC[C@@H](C)O)ncnc21 1873628205 VHJCGXFVAVLMBX-GOSISDBHSA-N 441.535 4.638 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SC)cc1OC 1874372774 QJWOAVKRLJYRQF-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCCO)cc1 1874381309 MLUAKXXYMZODKI-KOEQRZSOSA-N 442.560 4.544 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CCCC2)cc1 1874457353 MKKVSTDGQNDQIM-ZVHZXABRSA-N 444.601 4.898 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccc2ccccc12 1874463782 AWIYZWGGSHJBML-BUVRLJJBSA-N 433.537 4.534 30 10 IJEE CCCCc1nnc(SCCCO)n1/N=C/c1ccc(OCc2ccc(C)cc2)cc1 1874479915 YXTIZUZSDCSQDF-KOEQRZSOSA-N 438.597 4.865 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(C)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 1874535447 HTHCVUALKFIAKR-LSHDLFTRSA-N 435.336 4.854 30 10 IJEE COc1ccccc1/C=N/n1c(S)nnc1CCCOc1cc(C)c(Cl)c(C)c1 1874571145 YPBAIJDLJKBDKS-YDZHTSKRSA-N 430.961 4.739 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1cccc(F)c1 1874706603 PXKHGDRQUJQONA-VMPITWQZSA-N 434.419 4.721 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)Cc3cccs3)c(OC)c2)c1 1875102740 OHVFKLSHCJNNAR-MDZDMXLPSA-N 438.501 4.818 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)COCc1ccccc1 1875163339 GMJZSDWNMMHQCD-YRNVUSSQSA-N 438.426 4.992 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1875164808 BPAATBPOQIQDLV-VQHVLOKHSA-N 426.509 4.974 30 10 IJEE Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)c2)cc1 1891523772 GRDVFZFKZCKHCZ-NRFANRHFSA-N 427.504 4.985 30 10 IJEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 1891596206 BQCDHACOAQBPJK-SANMLTNESA-N 428.963 4.650 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2c(F)ccc(F)c2Br)C1 1892678439 XYHCDACEIUKVOB-MRXNPFEDSA-N 431.321 4.991 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912177221 CTIHNUCEFVCXPC-IERDGZPVSA-N 436.557 4.853 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)Cc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CO1 1915607338 QPPGGKIRZMVANV-JOCHJYFZSA-N 439.380 4.695 30 10 IJEE Cc1cc(Br)c(F)c([C@@H](C#N)N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1 1927528637 OANNBIGYIGJYPX-CZUORRHYSA-N 427.314 4.877 30 10 IJEE Cc1cc(C#N)ccc1[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951657155 KYYIJNHZGKHCRO-QHCPKHFHSA-N 426.472 4.574 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NCCCB1OC(C)(C)C(C)(C)O1)C(C)(C)C 1999365760 QKAAUQHQGFSGNP-JTBPQFFMSA-N 446.463 4.506 30 10 IJEE C=CC1(C[C@H](NCC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CCC1 2002629970 JARUEBKWHVHTDU-BKMJKUGQSA-N 427.633 4.880 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NC 2028842657 HTOQXASOFUABHK-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1NCc1occc1B1OC(C)(C)C(C)(C)O1 2039816547 PUQGGHPSEVKKOW-UHFFFAOYSA-N 432.301 4.677 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cscc1Br 2066526640 JYYNSSUDSDQDBQ-SWLSCSKDSA-N 431.396 4.890 30 10 IJEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(O)c1 2080047495 FULQOLHSDPSHEL-KRWDZBQOSA-N 436.350 4.855 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C(C)C)c1N 2080054999 YRSVOZPYRKYRKW-LBPRGKRZSA-N 427.320 4.674 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c(F)c1 2124522844 YMOYFZLCGFKHKL-HNNXBMFYSA-N 448.344 4.871 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCCC 2159126722 XWNOYRDLUAQOTN-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3cc(Br)c(C#N)cc3F)C(C)(C)[C@H]21 2175899389 VEVOJNONVUQWTK-DQYPLSBCSA-N 438.341 4.906 30 10 IJEE Cc1nc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2190478344 LFHMLKIDKAOBBI-HYVLGVRCSA-N 448.416 4.509 30 10 IJEE CCCN[C@](C#N)(COc1cccc(OCc2ccccc2)c1)C1(Br)CC1 2206641674 YLKGACSDHAYYSZ-JOCHJYFZSA-N 429.358 4.834 30 10 IJEE O[C@H](C#Cc1ccc(Cl)cc1)c1ccc(I)c(Br)c1 2231080744 VEQPTFQYFBBLHT-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CCc1ccc(C#C[C@H](O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231158818 SZLLRRCBEORYMO-LSYYVWMOSA-N 449.591 4.805 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235719019 MZVBSQRNBMDGPP-OALUTQOASA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@]1(O)C#Cc1ccccc1Br 2235740969 RUGQMQWYSJTFGU-JTSKRJEESA-N 434.374 4.637 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C#Cc2ccccc2Br)C12CCCC2 2235742227 WZEUBZLCVNVBIE-JOCHJYFZSA-N 434.374 4.875 30 10 IJEE C=C(c1ccccc1)[C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237379781 FSYGTYFGWKAGMT-VQTJNVASSA-N 432.358 4.959 30 10 IJEE CCN[C@H](CC#CC1CC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400710 QBDBXGLHBAIXMH-UXHICEINSA-N 435.406 4.667 30 10 IJEE C#CC[C@H](CC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237431062 PAXLQVDNIIYEKB-VQIMIIECSA-N 434.374 4.894 30 10 IJEE CN(c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255849239 MMOHHKYVEKGXSZ-IYBDPMFKSA-N 430.354 4.869 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)c1 2265859860 MNMFKXHNMFKCKD-INIZCTEOSA-N 440.349 4.759 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(OC)c1 2266703470 QDPKBDATCANGOI-FUHWJXTLSA-N 427.383 4.968 30 10 IJEE O=C(C#Cc1ccccc1Cl)[C@@H](O)c1cc(Br)c(Br)s1 2295241740 DDELNPDURRUFPC-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2296215634 BYXVWQLCROSUPR-PWIZWCRZSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 2296277475 SQFZKZIOFZSRAK-YSIASYRMSA-N 433.390 4.638 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296289755 VDUJQOIJLNMSBK-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2296305436 UBCDNXTUQVLGIM-QUCCMNQESA-N 433.390 4.592 30 10 IJEE COc1cccc(NC(=S)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 2296405360 ZNDWEMIGFDTWQP-UHFFFAOYSA-N 427.533 4.868 30 10 IJEE CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccc(OCC)cc2)C1=O 2297334474 YENFRPJOKTYCPL-UHFFFAOYSA-N 440.477 4.537 30 10 IJEE C=CCN(CC(=C)Br)Cc1ccc(Cl)cc1I 2302306730 HHBNIQOXKCTHGL-UHFFFAOYSA-N 426.523 4.841 30 10 IJEE Cc1cccc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)cc2Cl)c1C 2321229981 WNHACBDUDRNBOC-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C[C@H]2COc3ccccc3O2)C4)o1 2322234867 PFMPDTLSGFLUCL-SFHVURJKSA-N 445.471 4.505 30 10 IJEE COc1ccc(OCCN2COc3c(cc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)C2)cc1 2322326424 QVOKTXQLYWJPHM-UHFFFAOYSA-N 447.487 4.752 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(Br)ccc1OCC(=O)OCC(C)C 2322475379 JLBQDNYLAZHHAI-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1 2323693534 YGDYVIHNUFZTTG-UHFFFAOYSA-N 432.432 4.517 30 10 IJEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)C(=Cc1ccco1)O2 2323908103 YKQDKDYSBWMDIY-UHFFFAOYSA-N 432.428 4.985 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1ccc(F)c(F)c1F 2325530288 GOYPKJSZXUKLJO-UHFFFAOYSA-N 425.362 4.738 30 10 IJEE Cc1cccc(C=C2Oc3cc(OCC(=O)OCCOc4ccccc4)cc(C)c3C2=O)c1 2325744928 LKAONTLNQXXAJD-UHFFFAOYSA-N 444.483 4.921 30 10 IJEE CCCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1OC 2326374865 QXMYISXULRISDV-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2327288811 RBQZQVIBHTYYDJ-UHFFFAOYSA-N 437.525 4.851 30 10 IJEE CCCOc1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SCC)cc1 2327457999 NOODRGQTFHSZIT-UHFFFAOYSA-N 432.496 4.918 30 10 IJEE COc1ccccc1OCc1nnc(SC)n1N=Cc1c(OC)ccc2ccccc12 2328218672 HCPWMXOIFJZYIK-UHFFFAOYSA-N 434.521 4.632 30 10 IJEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2ccc(OCC)c(OC)c2)cc1 2328566163 IORFDWQWDFYLOZ-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccccc1 2329918764 PUPNHNOYTRSAIA-UHFFFAOYSA-N 445.504 4.940 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc[nH]1 2330664526 FRCZRVZMANQURA-UHFFFAOYSA-N 430.537 4.503 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)cc1OC 2330705525 FKQDLAQERVRRNT-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)c1 2331048381 SCHBSVLFQMGPQY-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(F)cc1F 2331326954 UVCVZPGACOGSJT-UHFFFAOYSA-N 443.523 4.820 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2F)c1 2331377554 JZQKJFPZLRPOTE-UHFFFAOYSA-N 439.560 4.945 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)C(F)(F)F 2331442658 VDOJMALPUPTPMH-UHFFFAOYSA-N 442.773 4.831 30 10 IJEE CCC[C@H](CNC(=O)OC(C)(C)C)N[C@@H](CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338519448 PZJBFDFSEVXCCM-RTWAWAEBSA-N 446.441 4.720 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360885207 SBLAERIUTBZFAN-GUDVDZBRSA-N 435.406 4.720 30 10 IJEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)c(Br)cn1 2362111958 HRBXCUYYCTXVHG-MRXNPFEDSA-N 436.281 4.998 30 10 IJEE CCc1nc(Oc2cc(Br)cc(I)c2)c(C#N)cc1C 2364270563 RUYUODTVKGTYRB-UHFFFAOYSA-N 443.082 4.984 30 10 IJEE Cc1cc(CN[C@@H]2CN(Cc3ccccc3)CC(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369677210 JFMZHDNRVORHBL-VWLOTQADSA-N 448.460 4.685 30 10 IJEE Cc1cc(CNC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682642 YCWZWWXZBDERNM-VXKWHMMOSA-N 448.460 4.540 30 10 IJEE C=CCOc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2315151 BCALERRPQOEXOG-QNGOZBTKSA-N 439.968 4.697 30 10 IJEE COc1ccc(CC/N=C/c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)cc1OC 3045568 FNEISJGMBWMEQG-VULFUBBASA-N 431.414 4.967 30 10 IJEE CC(=O)Nc1cc(C(=O)/N=C(/NCc2cccnc2)Nc2cccc(C(C)C)c2)ccc1C 46128765 ZVRGFEASGOGHSO-UHFFFAOYSA-N 443.551 4.870 30 10 IJEE C=CCN1C[C@@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C 58511767 KQWVAUSXZDRQPZ-LOYIFYEOSA-N 449.639 4.847 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95087535 BHCOJNWKYPOUEM-OAQYLSRUSA-N 445.567 4.697 30 10 IJEE CN1/C(=C/C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)C(C)(C)c2ccccc21 102412720 KAMWYTVJXYKLFM-LRPBUSMYSA-N 427.972 4.988 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccc(OC)cc2OC)C1=O 103215269 DFEDSPYMWPPOKF-WQRHYEAKSA-N 445.924 4.901 30 10 IJEE C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccccc3)ccc2O1 138852307 UBIABAWBMUVICY-LUQAYJOQSA-N 425.484 4.632 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2C(CC)CC)cc(Br)c1OCC 169910376 ABPLHGBLEXSVDG-JAIQZWGSSA-N 441.395 4.913 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2OC)c(C)c1 169940457 GOCHOPDTKYSTEQ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 169961799 IYWBMQWOGCNXQC-NRFANRHFSA-N 449.846 4.557 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)s1 170066284 XRMOJZJFKNPDAZ-HXUWFJFHSA-N 442.581 4.887 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2C)c1 170086008 RZRHFPXHPDFOQV-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccco2)cc1 170094977 UBCWQMXSUHXHEH-NRFANRHFSA-N 448.431 4.758 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170116881 BSWUDRWWICFAPE-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1 170137399 GRHVQAKANYGMNW-LJQANCHMSA-N 444.325 4.923 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170192919 QGLSDAWTTBINJW-GOSISDBHSA-N 429.259 4.760 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(C(C)C)cc1 170244584 BQFGHMSENNGVID-HSZRJFAPSA-N 437.536 4.660 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2C)cc1C 170274252 PZJNQZMOEDBKDX-QHCPKHFHSA-N 431.488 4.992 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccco2)c(OC)c1 170284930 UXFZTOJIKYVTHI-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)ccc1Cl 170305042 MCBWUXMJPVEVBF-NRFANRHFSA-N 448.862 4.905 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C2=O 210086019 LQGYHGWVDFBARW-LPYMAVHISA-N 431.400 4.829 30 10 IJEE N#Cc1ccc(Nc2ccc(F)cc2I)c(F)c1Br 231847352 JEPRVRSMFMIQLK-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(OC)c(OCC)c3)C(=O)N2C)cc1 252588969 AGIXRDBRTPCZLU-KWKLDLJFSA-N 440.521 4.504 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1C 252611196 IHKAVJMNLWTVNK-IBGZPJMESA-N 443.956 4.803 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 435334076 WJVAUYRWYNISEI-UHFFFAOYSA-N 448.277 4.617 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 503026959 ADAYLPMCWUXQKU-HXUWFJFHSA-N 437.468 4.612 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 518403300 DWTQQFZHDQKCLN-HTAPYJJXSA-N 440.494 4.678 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 518492760 NSJFXFIKWJWEFE-VWLOTQADSA-N 440.503 4.827 30 10 IJEE CCOc1cc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526489770 SDFXLZJMIGBRTM-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526804615 YYFQATHWDGVNSR-FMCGGJTJSA-N 430.961 4.994 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 549262991 AEBXILXAOIFHIQ-QHCPKHFHSA-N 429.568 4.513 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 549545323 RXPNFTSYPHVEPM-LJQANCHMSA-N 433.531 4.930 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 563829267 BGDYBWZEAIBMCT-SDHSZQHLSA-N 448.611 4.842 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)c1ccc(N2CCCCC2)cc1 586257107 CRSGQLVZLXFJRD-UHFFFAOYSA-N 447.988 4.838 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1F 586258577 OZZQKCGJIFDGDP-UHFFFAOYSA-N 448.878 4.894 30 10 IJEE C=CCn1c(SC[C@@H](O)COc2c(Cl)cccc2Cl)nnc1-c1ccco1 684856924 XAWLTUDWEWWGQU-LBPRGKRZSA-N 426.325 4.563 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCc2c(Br)cccc21 698371782 FYJCIKKXVXIHCH-OAQYLSRUSA-N 436.394 4.693 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(I)c(Br)c1 721357395 VREANAXMIVCPJR-NHYWBVRUSA-N 448.142 4.918 30 10 IJEE C=C([C@H](NCC)c1ccc(I)c(Br)c1)C(F)(F)F 721649515 XZHBOTBWYSBHNH-NSHDSACASA-N 434.037 4.823 30 10 IJEE CC(C)(C)n1cc(C=NNc2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2Cl)n1 731150663 CUMOYNAUMLPJSB-UHFFFAOYSA-N 430.961 4.808 30 10 IJEE COc1ccc(CNC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1C#N 747079410 CLXRNRYEKQXVMW-UHFFFAOYSA-N 439.924 4.773 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C(F)(F)F)[n+]2cccc(O)c2)cc1 762439236 PMBWEOANJSPFKD-UHFFFAOYSA-O 442.442 4.893 30 10 IJEE COc1ccccc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1Cl 762439374 RRMMVPNJYLBVIF-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)NC1CCCCC1)=C(/O)c1ccc(C#N)cc1 777513363 UTCZGOGJKXFQFC-UHFFFAOYSA-O 428.965 4.647 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)[C@H]3CCCO[C@@H]3C2(C)C)c1 783601397 WTLYEWUVZNSWFX-ZYLNGJIFSA-N 444.572 4.679 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1cccs1 812188417 OTHFHBCPKDLTQG-LJQANCHMSA-N 437.569 4.684 30 10 IJEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2ccccc2Br)n[nH]1 1084125209 NOYZJXZJNMZNHF-UHFFFAOYSA-N 439.383 4.666 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)cc3)n2)cc1 1084280075 IZWMNIRQKQKBFK-OAHLLOKOSA-N 438.557 4.504 30 10 IJEE CC(C)(C)c1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n(Cc2ccccc2)n1 1124813282 CQEYPOWGDLIFTR-FQEVSTJZSA-N 445.542 4.705 30 10 IJEE C=C(C)COCCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1127127593 SDIAUPBMSYAZBI-UHFFFAOYSA-N 425.326 4.987 30 10 IJEE C=CCN(C(=O)c1ccc(N2CCC(C)CC2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1128002768 ABCWVSNAWJXVPK-RUZDIDTESA-N 434.580 4.726 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnn(C)c1C 1150688370 OAKXUCSPICLSLO-QHCPKHFHSA-N 444.535 4.541 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 1155169752 ALDPUMSDPBACPR-AREMUKBSSA-N 446.934 4.922 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1 1191265703 ZXAWRDHNKIACGJ-NRFANRHFSA-N 425.525 4.870 30 10 IJEE CC(C)Oc1ccc2ccccc2c1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1211445993 GUGZCOOPGJUGLB-UHFFFAOYSA-N 448.466 4.996 30 10 IJEE C#CCCS(=O)(=O)N(C)[C@]1(c2ccccc2Cl)CCC/C(=C/c2cccs2)C1=O 1212054919 TWXWPJLBVBBJCF-GUMMAJAESA-N 448.009 4.718 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 1214481685 PNMJLZAEEXXNAG-UHFFFAOYSA-N 433.618 4.770 30 10 IJEE C#CCN(C(=O)N[C@@](C)(C1CC1)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1220262508 WJMDNCVUXDVDMN-QAPCUYQASA-N 445.279 4.649 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1286404378 RVUYUOGXAVGPFM-QGZVFWFLSA-N 446.929 4.896 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CC[C@H](OC)C(F)(F)F 1286519391 WTTYOWXAWQLFEM-CNNODRBYSA-N 434.506 4.780 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](F)COC 1286569926 HBDSUYBUZATXKI-GOSISDBHSA-N 429.565 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCSC1(C)C 1286583725 QSIDKEOCSOGYTI-SFHVURJKSA-N 430.618 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1286670478 GWKORCOLFCZZGE-QGZVFWFLSA-N 442.995 4.661 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1286699753 WBTFLFZLQWRZHY-FGZHOGPDSA-N 428.552 4.811 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N1CCCCCC1)C1CC1 1286735370 XDYWJMHBEWUAOE-UHFFFAOYSA-N 445.970 4.685 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286744095 CTPFAKJMPPIKHN-DZRGJMJISA-N 442.579 4.852 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2CC(C)(C)C2)C1 1286802772 BMUCYFCJWHXJHB-QGZVFWFLSA-N 445.405 4.925 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1286825267 IGDASBPPSOOGKH-OKILXGFUSA-N 439.398 4.858 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1287792990 HPJSYMMFAPREQD-SELNLUPBSA-N 434.964 4.632 30 10 IJEE CC(C)(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccsc2)C1 1288896009 GVJSGNVRNMCNNI-NTKDMRAZSA-N 435.597 4.658 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1 1290032666 LQZHAKGSANBBTN-UHFFFAOYSA-N 447.347 4.926 30 10 IJEE C[C@H]1C[C@H](C)CN(CCCn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1291014385 CCBVKVLLLSGBDV-GOTSBHOMSA-N 448.659 4.561 30 10 IJEE COc1ccc(N(CCc2ccccc2)C(=O)CCCC(=O)Nc2ccccc2C#N)cc1 1293681383 AHSJBLPBOZNUTK-UHFFFAOYSA-N 441.531 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CC2(CCOCC2)C1 1300274295 JTTWFZIFBQZQMU-TZIWHRDSSA-N 436.600 4.700 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1300416726 IMQBLKHVGUHNHL-OAHLLOKOSA-N 428.631 4.572 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@@H]21 1300425828 YIMZGMSPERDSAM-HKBOAZHASA-N 441.620 4.923 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1300746758 UVWMQONKQNGEKF-RBUKOAKNSA-N 442.629 4.732 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1300975495 VQQGVBJROUBQSW-OFAXGOBFSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1300982422 HXUKJYNYTSWUEE-HXUWFJFHSA-N 437.613 4.995 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCSCc2ccc(C)cc2)CC1 1301064107 QECXNGWRNMRUBI-UHFFFAOYSA-N 441.645 4.595 30 10 IJEE C=CC[C@@H](Cn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1C(C)(C)C)c1ccccc1 1301167955 IJNWEZURWAQECL-FCHUYYIVSA-N 431.584 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)c1c(C)noc1C 1301271141 WFUAHPVLJNUDJS-LBPRGKRZSA-N 448.340 4.877 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1)C1CC1 1301334425 MHJNHRLAQFNKLO-QRVBRYPASA-N 427.593 4.560 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCC1CCOCC1 1301379298 FUSJATHICQRPAQ-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 1307501713 STOQJMZUIMCLOD-RTBURBONSA-N 432.033 4.683 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN[C@@H](c3cccs3)C3(CO)CCC3)c2C#N)C1 1307843759 HKUNXJLSPHJFFS-VFNWGFHPSA-N 443.638 4.628 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2cc(Cl)ccc2I)cc1 1308272917 MCVOKDRDGMLIPV-UHFFFAOYSA-N 441.700 4.864 30 10 IJEE COc1ccc(N(C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1OC 1310721597 AXRGOQKPNFSPSW-UHFFFAOYSA-N 433.512 4.727 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C)c1ccc(Cl)cc1F 1312926084 LIASIYAMJYVDHN-KUZCPNRJSA-N 436.955 4.845 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H]4CCC[C@H]43)n2CCCC(F)(F)F)cc1 1316532993 DHPKPPLWRPRCFJ-PKOBYXMFSA-N 433.478 4.840 30 10 IJEE CCc1ccccc1N1C[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1=O 1353071110 IDRJDNDVFQVAIR-HXUWFJFHSA-N 425.488 4.905 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)Cc2ccccc2Br)cc1OC 1356058049 IOKGCXQPDMEZIF-DMIOIOJGSA-N 430.342 4.783 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1OC 1357768703 JYNWGOFTMAASRX-HFTQHKIXSA-N 447.362 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1sc(C)nc1C 1358898991 DWKUFIVDCRNQCR-ZDUSSCGKSA-N 432.018 4.803 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1358904859 NDPDACVEWRDURY-NHCICSSKSA-N 436.600 4.842 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCC[C@@H](C)C1 1358938974 NEDOHZMZWJYHMQ-KNQAVFIVSA-N 437.632 4.615 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCCC1CCOCC1 1359014594 OWIBWEMEISDSEF-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359185092 KYWCGGJBSBKWMD-WOJBJXKFSA-N 438.572 4.959 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359202093 IUZXXNHKMNYMMJ-UXHICEINSA-N 434.588 4.875 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1359203526 QRGREKFUHTUZLY-RTWAWAEBSA-N 440.563 4.767 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCCC)CC1 1359211001 PDUZUBFRWQLVHQ-UHFFFAOYSA-N 429.996 4.697 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1359230728 DBGVYUAIIMGCHN-MOPGFXCFSA-N 429.584 4.690 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1359247161 UJQYDESMSIPNLX-SQNIBIBYSA-N 430.980 4.899 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC1CCN(CCC)CC1 1359260040 QSGQICDFRIEHNC-UHFFFAOYSA-N 436.579 4.727 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CC[C@](C)(CC)O1 1359279790 STIYKBLZWFCCHV-JTSKRJEESA-N 436.959 4.724 30 10 IJEE C#CCN(C(=O)Cc1cccc(Cl)c1F)[C@H]1CCOc2ccc(Br)cc21 1360557084 MVIFZICZKMGIFM-KRWDZBQOSA-N 436.708 4.770 30 10 IJEE C#CCN(C(=O)Cc1cccc(OCCC)c1)[C@H]1CCOc2ccc(Br)cc21 1435174496 DRKRYDXPJTXYLJ-NRFANRHFSA-N 442.353 4.766 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCSC[C@H]2c2ccccc2OC)cc1OC 1439094082 MHWRVZAWFIJWTE-KONDSOJQSA-N 439.577 4.989 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3cccs3)C(CC)CC)ccc2c1=O 1442078241 KLJZTLXGBJENDU-IBGZPJMESA-N 427.595 4.840 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H]2CC)ccc1Cl 1448089912 TYVWJPKDHVOGNT-LAUBAEHRSA-N 447.000 4.982 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3ccc(Br)cc32)CCCN1C(=O)OC(C)(C)C 1456187457 OSUNRWNLICMZOJ-OAQYLSRUSA-N 435.362 4.684 30 10 IJEE CCO[C@@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C12CCCCC2 1459572993 CHNCEHRGSCADFX-FCHUYYIVSA-N 432.008 4.955 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)COc3ccccc3Cc3ccccc3)CC2)c(F)c1 1459898869 CNWUKHWULGBCGH-UHFFFAOYSA-N 444.506 4.737 30 10 IJEE C=CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1 1465097364 MAIFVCRAMISEGI-INIZCTEOSA-N 449.548 4.735 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC[C@@H](C)CC 1468497082 KMJYFHCALZXSIT-MHECFPHRSA-N 436.552 4.954 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)C1 1468553292 WHIHLUWEWHYURC-FQEVSTJZSA-N 426.944 4.743 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccccc1C(=O)OC(C)(C)C 1474225134 URVKJNNLAXLPRF-UHFFFAOYSA-N 430.342 4.706 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1C(F)(F)F 1474877273 CEXCQTJEUIQUIE-OAQYLSRUSA-N 442.462 4.913 30 10 IJEE CCCN([C@H]1C[C@@H](OCC)C12CCCC2)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1474985271 GBOISUDIEWQHMY-RBUKOAKNSA-N 444.519 4.716 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)cc(OC)c1OC 1476335809 GMQIMGKESNCZTI-UHFFFAOYSA-N 434.540 4.865 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F 1478806645 LNMFKIVKLSVZIX-QFBILLFUSA-N 426.866 4.879 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)cn1 1501250013 DNKAJZNXRALQIM-RTBURBONSA-N 430.556 4.531 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C(C)C)N1CCCC1 1507521692 PMLRNXXCHMJXCU-IRFCIJBXSA-N 439.673 4.710 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N[C@H](C)[C@H](OC)c1ccccc1Cl 1507589950 SYCQTAYWYKUNDJ-VFNWGFHPSA-N 444.004 4.889 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCSC1(C)C 1507663749 AUUDHLPZHUJMQN-KRWDZBQOSA-N 443.016 4.602 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCCCCC1 1507678459 IEGIJHBQOPXYPN-UHFFFAOYSA-N 449.624 4.922 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)Cc1ccccc1OC 1507795057 BRWXDDNZGGGDKK-IZIIKQMZSA-N 440.632 4.924 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1507832604 HJIRNHIQOWDDAU-XMSQKQJNSA-N 445.007 4.831 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1507859949 FPYCNYLENIQFQH-QGZVFWFLSA-N 448.995 4.889 30 10 IJEE C=C(Cl)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507869989 BCHIDFXJOXIUDP-QHCPKHFHSA-N 427.980 4.675 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507905607 WPVJOOJZRFSZRW-JOCHJYFZSA-N 427.662 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1507914327 HSDRQFARDTVWQR-IBGZPJMESA-N 427.637 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1507918347 BCJMOMYJUKKVNE-UHFFFAOYSA-N 446.958 4.622 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507933110 GXIJOHYYOAPOMT-NRFANRHFSA-N 439.604 4.637 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1508002875 PCSOAFHQXJCVDG-FGZHOGPDSA-N 439.648 4.559 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CC[S@](=O)CC 1508009556 RXRFZOZLRORUIY-MUUNZHRXSA-N 435.018 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCCC1(C)C 1508022689 YFBUCNSCMNSJKV-HSZRJFAPSA-N 430.980 4.630 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)C(F)(F)F)cc1 1521338223 UOOQPKFMQSLOLK-ORAYPTAESA-N 446.450 4.785 30 10 IJEE COc1c(Br)cccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1525753414 BOSCVQFSEKISRF-UHFFFAOYSA-N 428.311 4.629 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl 1527079427 UEAQNBXTAXNANA-UHFFFAOYSA-N 445.832 4.640 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(OC(F)F)c(Cl)c1 1531612595 INUOHBVQZGWXRF-UHFFFAOYSA-N 426.799 4.684 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1)C1CCOCC1 1532934145 LPOBTPGSKLCPHZ-QFIPXVFZSA-N 433.939 4.659 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(C)c(Br)c2)nnc1-c1ccco1 1533387628 FQURBEWJOVHQEB-UHFFFAOYSA-N 448.342 4.883 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCC(=O)N(c4cccc(F)c4)C3)cc2)cc1 1535625745 DTFDWPFWOWUGGK-SFHVURJKSA-N 429.451 4.871 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 1537849308 TUQIPJHCSOLHIQ-DIFFPNOSSA-N 447.347 4.645 30 10 IJEE Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1538426322 DGZXRGOZUXSIQL-SJLPKXTDSA-N 427.570 4.895 30 10 IJEE C=CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1538618087 CRDCKKZISADNPF-LJQANCHMSA-N 437.433 4.956 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](C(C)C)C1 1539055779 HOSDPULPXNBXKA-FQEVSTJZSA-N 433.021 4.988 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ncc(CC)s1 1539140230 RTNIZSHKCZTHLQ-UHFFFAOYSA-N 425.627 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)[C@H]1CC 1539619926 IMXROLYTWNATCQ-SFUIVIKGSA-N 448.409 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCSC(C)(C)C1 1539622134 DQRVKZNUJPXPAB-LPHOPBHVSA-N 433.021 4.912 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccccn2)CC1 1539911032 UAOSKVIJQDSJKV-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1)c1ccccc1 1539948817 SEWIAOVAYYEXCD-HSZRJFAPSA-N 449.643 4.675 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1539975001 YNDIEBOKPLZKGR-YJBOKZPZSA-N 442.457 4.509 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCOc1ccc(C)cc1 1540052146 YQVKPTQEUOUFEW-UHFFFAOYSA-N 444.377 4.826 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1oc(CC)nc1C 1540134605 WILNDWDDALUDQY-UHFFFAOYSA-N 432.503 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@](C)(CC)O1 1540146581 HTIBCEXKVKGPFG-RDPSFJRHSA-N 437.613 4.866 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@@H]2CCCCO2)cc1C 1542471769 DVQJFBLHDDPEPC-OFVILXPXSA-N 437.588 4.563 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CSC(c2ccccc2O)=N1 1542797000 CVCAKKYDVWSDFR-QFIPXVFZSA-N 443.528 4.652 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1 1543370230 HOTCDKJPKLUKNV-HNNXBMFYSA-N 432.553 4.923 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)ns1 1543533128 VKMWZZOSWFMPGZ-UHFFFAOYSA-N 426.295 4.899 30 10 IJEE CN(CC1CCCCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC1CCOCC1 1554223494 BYPIPRVLRIYXON-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1555848075 CNQUVWPJJLVSGV-YOEHRIQHSA-N 437.560 4.920 30 10 IJEE C#CCCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1556491819 IUGSFJFHOPEFCM-UHFFFAOYSA-N 426.582 4.545 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccccc1 1558718584 LFKPTQKIRBUSPB-ROTAYESASA-N 440.565 4.761 30 10 IJEE C=CCN(C(=O)CN(C)CC(C)(C)OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1559653460 QWLFCWVSABAJPS-UHFFFAOYSA-N 442.412 4.993 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1F 1561556048 HQTIQMNKDSQTHU-CQSZACIVSA-N 426.218 4.804 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 1561576389 FUNDBOGOJBPVKU-KRWDZBQOSA-N 443.725 4.543 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OCC)c(OCC)cc1Br)c1ccc(F)cc1 1562253936 HKTPAEGQYAAVEP-MRXNPFEDSA-N 435.293 4.882 30 10 IJEE CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1562705495 AMEVLBIPWWCABR-HXUWFJFHSA-N 446.473 4.831 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@H](CNC(=O)Nc4ccc(C)cc4)C3)cc2n1 1563301879 NTNDWXIKFAPWQX-LJQANCHMSA-N 446.555 4.596 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1Oc1ccc(F)c(C)c1)[C@H]1CCCO1 1564603947 VMNADRMTOPORMM-LEWJYISDSA-N 430.907 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1589658160 UOSXOLSYURCKNX-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCSC1 1589694179 BHLKOIQVIWELLL-GBESFXJTSA-N 449.665 4.594 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1589721981 KFBHYGSJHBNXEN-DOTOQJQBSA-N 426.362 4.994 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1594455092 LHUNBPGSSDRLKQ-QGZVFWFLSA-N 429.634 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)c2ccccc2)CC1 1594504436 RTJLIKLPNXIOQE-UHFFFAOYSA-N 444.627 4.971 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 1594794040 XWXFYHLCVPXNDL-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@](C)(CC)O1)C1CC1 1595026157 DSXATYJLUZGRIY-JXFKEZNVSA-N 434.382 4.538 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1595849930 HHANIPDIUDXGQE-DLBZAZTESA-N 446.617 4.515 30 10 IJEE COc1ccccc1[C@H](CC(C)C)OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1595972962 CFHHFXUGWSBLMA-VGSWGCGISA-N 440.927 4.904 30 10 IJEE C#CC[C@@]1(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CCCN1C(=O)OC(C)(C)C 1596482099 KAZURFALFGRCEY-MHZLTWQESA-N 449.595 4.812 30 10 IJEE C#C[C@@H](NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)c1ccc(Cl)cc1F 1597002062 GWAATIVLYDDVOZ-HXUWFJFHSA-N 440.906 4.514 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccccc1 1603516522 CGBOACHZNJHJCV-SSEXGKCCSA-N 428.554 4.607 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@](F)(C#N)C1 1611365732 ADUMPGWFBYWBCO-BTYIYWSLSA-N 429.952 4.981 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccc(N2CCCCC2)nc1 1613164955 FOIJIJSDKLTDSU-FQEVSTJZSA-N 443.599 4.733 30 10 IJEE CCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OCC2CC2)nc1 1615289187 FVSYEJXUPQJZGN-UHFFFAOYSA-N 430.556 4.531 30 10 IJEE C#CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 1615535486 GJQZAKDCCIMMQE-KRWDZBQOSA-N 435.705 4.970 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 1620709965 FDSGTGQYADKXIY-LJQANCHMSA-N 432.952 4.773 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C(=O)NCC)c2)cc1OCC 1620837642 HOXDUOYUGXFPDQ-UHFFFAOYSA-N 433.346 4.774 30 10 IJEE C=CCOc1c(Br)cc(CNC2(C)CCC3(CC2)OCCO3)cc1OCC 1621101879 PWUYEUGRBZZMFU-UHFFFAOYSA-N 440.378 4.578 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1ccccc1 1621946149 KUIZFNSHQOPJJC-QGZVFWFLSA-N 439.331 4.652 30 10 IJEE COc1cccc([C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)OC)c1 1622896369 CSNSWQOZIADQHA-RUZDIDTESA-N 445.519 4.849 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Br)o1 1625172407 OMFGYSQZJCQXMU-QGZVFWFLSA-N 431.330 4.563 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 1626376930 GXRRAFHHAFRUJK-HKUYNNGSSA-N 446.979 4.663 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)C[C@@H](C)C#N 1630275819 BZJDFFAQDHKKLD-MHPIHPPYSA-N 447.579 4.948 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccccc2Cl)CCCCC1 1632020658 WSGIRQYPHXSRPX-HXUWFJFHSA-N 432.992 4.965 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1Cc1ccc(OC)cc1 1632211589 HOEDMTIRYHRKGG-RBBKRZOGSA-N 430.589 4.868 30 10 IJEE C=CCn1c(SCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccc(OC)cc1 1640637721 CFXUBYMJQMYNPX-KRWDZBQOSA-N 444.601 4.879 30 10 IJEE C=CC[C@]1(C(=O)NCCc2c(C)[nH]c3ccc(F)cc23)CCCN1C(=O)OC(C)(C)C 1642319463 SRDNFXATAHILSG-XMMPIXPASA-N 429.536 4.620 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)C1(CO)CCCC1 1643339931 AVPPHEWFQTYMOZ-DVECYGJZSA-N 437.609 4.760 30 10 IJEE CC(C)N(CCn1c(SCc2cc(F)ccc2C#N)nc2ccccc2c1=O)C(C)C 1643476251 GOKKKYIQGQNTLG-UHFFFAOYSA-N 438.572 4.818 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccc(F)cc2)c1 1648409364 GXWCJRHBHNJPQB-SFHVURJKSA-N 448.947 4.651 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cc(Cl)c(OC)cc2OC)nnc1-c1ccco1 1651730356 ROYATLNUJUUJMZ-UHFFFAOYSA-N 448.932 4.516 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccccc3NC(=O)c3ccc(OC)cc3)cc2n1 1652528664 XSSQPHMCZJLBHR-UHFFFAOYSA-N 426.476 4.736 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)c1C 1653791098 BYFGIXQSDMKLBD-SFHVURJKSA-N 442.966 4.553 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(CCc4ccccc4)ccn3)n[nH]2)c1C 1654382891 KMKVBLMQHGBYBH-UHFFFAOYSA-N 426.524 4.509 30 10 IJEE C#Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 1655576120 RNTDFOCCXBGEPD-AREMUKBSSA-N 436.621 4.513 30 10 IJEE C=CCNc1nnc(SCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)s1 1656180220 QPOZWHFIFJUCKL-UHFFFAOYSA-N 430.574 4.911 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(COc3cccc(F)c3)cc2)cc1 1658516056 FHJLEDFXWDCXIM-UHFFFAOYSA-N 433.483 4.642 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cccc(F)c1I 1659191100 UAVKDMKDONJWKQ-UHFFFAOYSA-N 427.305 4.786 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)cc1 1659260972 OHHORFRCDKOZNJ-UHFFFAOYSA-N 435.524 4.548 30 10 IJEE COC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 1667513934 AOLKOFQLKDPKFZ-INIZCTEOSA-N 425.460 4.687 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1667538222 RMYMSMGZDSEGPX-KRWDZBQOSA-N 431.414 4.919 30 10 IJEE N#Cc1cc(NC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)ccc1OC(F)(F)F 1670745451 HUKIYRPEESUSHB-LJQANCHMSA-N 439.821 4.634 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F)c1ccc(F)c(F)c1 1671483005 NFDTYSLSQUIOEW-LJQANCHMSA-N 441.475 4.695 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCO[C@@H]1CCCC[C@@H]1C 1675838085 MNVAIWIHOANAIN-HNAYVOBHSA-N 427.358 4.881 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1)c1ccc(F)c(F)c1 1680280438 NLBIQPYZKFFCNP-PZBISTMVSA-N 449.542 4.917 30 10 IJEE C=CCCC1(CNC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CCCC1 1682692393 VBBUPCVWIUBVCT-SJORKVTESA-N 447.542 4.858 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OC(F)F)c(OCC)c1)c1ccc(Cl)cc1F 1682758232 YOGXRXTVNPCBOP-INIZCTEOSA-N 426.822 4.653 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(C=Cc3ccccc3O2)CC1)c1ccc(Br)cc1 1686921250 HAPPZFVFDYHUHF-FQEVSTJZSA-N 437.337 4.773 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1nc(C)cs1 1689951282 RMMJBFAOJWCDIV-HNNXBMFYSA-N 425.627 4.914 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C(C)C)C1 1690163705 OEINKNHOBGLVRX-SFHVURJKSA-N 439.025 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CC[C@@H](OCC)C(C)C 1690208913 CHHHWYNMXVOVIV-ZEQKJWHPSA-N 433.600 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)OC1CCCC1 1690251159 PVOFDVPLOBNEHA-RDPSFJRHSA-N 440.588 4.766 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1690371116 WHASYFVNISSQIM-QHCPKHFHSA-N 433.556 4.671 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCc2scnc2C)CC1 1690415207 BVEZWPMXMNSFJX-UHFFFAOYSA-N 437.613 4.830 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1690419210 KJSQNCQIMADHQM-OALUTQOASA-N 442.007 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@](C)(OC)C1 1690424711 XRGCGZUPDQOXMJ-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 1690433665 YXGUNXKYBCQKEG-WOJBJXKFSA-N 437.636 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690436185 MPEWTGWYXRCNDR-QHCPKHFHSA-N 448.615 4.749 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(F)(F)Br)C1CC1 1690538357 GWPZBKZHWBYOIZ-UHFFFAOYSA-N 449.246 4.689 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1690563096 GXRIFQUBRMACGM-UYAOXDASSA-N 435.538 4.868 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCCc1cccc(C)n1 1690569134 CNPKQNHSONPZOW-UHFFFAOYSA-N 444.558 4.952 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1C 1690601917 FGOAWZWUXTYFKD-UNMCSNQZSA-N 444.583 4.597 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(C)CCCS1 1690604678 YHTZKVOZBGZYRO-URXFXBBRSA-N 426.630 4.693 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1690682098 DLCONHSYSCQQIX-GOTSBHOMSA-N 449.599 4.537 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C)(C#N)CC1 1690735810 JHKONUWMXOBWOW-KRWDZBQOSA-N 429.565 4.606 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@@H]2CCCO2)CC1 1690738133 HCNJIDCBIFPAHH-FQEVSTJZSA-N 433.021 4.913 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705619038 FCVHCVTYEVLTIX-XUZZJYLKSA-N 447.558 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1cccc(C)c1 1705705286 GAHXGOAPLTTZCY-RDGATRHJSA-N 438.616 4.816 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1705721372 XINDOWTXDXKQMJ-FPOVZHCZSA-N 440.588 4.646 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705733588 RFQWHZWCDZQNQS-SESVDKBCSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCCCC[C@@H]21 1705739662 MQBXDELGQJACHV-CTNGQTDRSA-N 428.552 4.748 30 10 IJEE C=C(Cn1c(CC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1)c1ccccc1 1705742752 DUUSQVLXTDPUEH-UHFFFAOYSA-N 439.604 4.780 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](CC)C1)c1ccccc1 1705797727 BDGCLBBSWLXNLW-ZTCOLXNVSA-N 431.584 4.628 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCN1CCCC1 1705837839 QLSWTRCAYXJEHJ-UHFFFAOYSA-N 425.577 4.921 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1705848751 QEMMBPRHMSVFKZ-OAQYLSRUSA-N 439.648 4.897 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C 1705866944 CYHMVEKBOZAOHP-QHCPKHFHSA-N 442.696 4.555 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C 1705877546 ACECYRMGMAKBLT-ATIYNZHBSA-N 438.616 4.696 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1705887176 RDKWTYVUYLQNGC-RUDSSYLZSA-N 437.632 4.922 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSC(CC)(CC)C1 1705890446 QKJYPHLGUMYUPO-GOSISDBHSA-N 449.665 4.691 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCCC[C@@H](SC)C2)cc1 1705910005 OQFJQTADSLUVBZ-OAQYLSRUSA-N 435.597 4.675 30 10 IJEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2sccc2[C@H]1CC 1705948361 QOQSDZQNKRGPMP-LJQANCHMSA-N 442.658 4.634 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1csc([C@@H](C)OC)n1)C1CCCC1 1709937969 FXRCUXXKHUWWNP-MRXNPFEDSA-N 436.585 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC[C@H]1CCO[C@H](C)C1 1722475717 GPSJQWSPIZLBDO-TVZXLZGTSA-N 436.600 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCCCc1ccccc1 1722506498 MTCMCJWYCPEUHR-VWNXMTODSA-N 433.600 4.724 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCCC[C@@H]2C)CC1 1722581801 DWJHJZAYTRZJCD-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccccc1 1722593979 DDUZPZMMSNABPO-JOCHJYFZSA-N 439.604 4.676 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CCOCC1 1722607282 RJHWVPBVEJDBOO-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722632222 LVKKQYMVRNDEPI-GAJHUEQPSA-N 433.547 4.679 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(Cl)nc1)C1CC1 1722645437 MLKISYWTGKECOR-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1Cc1ccc(N(C)C)nc1 1722658141 FVCYEQLSRQGLIP-UHFFFAOYSA-N 430.600 4.713 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nc(C)c(C)s2)C1 1722717668 LPVGTRIJXPVANA-SFHVURJKSA-N 429.977 4.501 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCSCC(F)(F)F)C1 1722719230 YYKAEVNIGXXCLZ-MRXNPFEDSA-N 446.926 4.675 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](SCC)C1 1722735551 RAOOEIFRRAKXHF-LJQANCHMSA-N 447.630 4.885 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722742316 PUYASJFAMSFRHV-NRFANRHFSA-N 448.583 4.786 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)C1 1727338259 GIDDBRHAJVTKSJ-PMACEKPBSA-N 425.552 4.883 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)cc1SC 1740562525 MCXVDDLXFWMIGB-YFVAEKQCSA-N 426.630 4.733 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCCOC2)C1 1740595932 NLJRMZBMDCYYRD-JOCHJYFZSA-N 449.382 4.584 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](SC)C(C)(C)C 1740631186 ILTXTMSFOXGEPP-FXAWDEMLSA-N 445.032 4.922 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC 1740766925 LNCYOKHLMFHBAO-KQZHTCIUSA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)c(Br)c1 1740771407 FEAVFOPCVAWXFZ-UHFFFAOYSA-N 444.377 4.689 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC2(CCCCC2)O1 1740855852 NILDIARRLNWPQI-OAQYLSRUSA-N 426.609 4.743 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC)[C@H](C)C1 1740859426 LRCUMJYZHBSGJE-OAHLLOKOSA-N 438.439 4.656 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740869515 PSGRAOAEGQKPLV-LJQANCHMSA-N 428.943 4.951 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1740896654 CTWNCOPDJOUSIR-UHFFFAOYSA-N 430.487 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C)nc1 1740922762 RRHDBLIWVRPBFJ-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740934020 OTCZUHDVOMKAOL-PIXQIBFHSA-N 443.680 4.886 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(Cc1ccco1)C(C)C 1740949072 DIWXATVWHAVHGH-UHFFFAOYSA-N 431.334 4.814 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1csc(CC)n1 1740997678 AMZGAUJWXRQJGK-UHFFFAOYSA-N 435.022 4.568 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1741003611 YMCLSVBOCOFULG-SYYKKAFVSA-N 442.629 4.687 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCc1nc(C(F)(F)F)cs1 1748917673 IEMFYTXIPLWGFJ-UHFFFAOYSA-N 439.894 4.776 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC=C(Br)C1 1749124778 PEEIJWKQMCTHBO-PXNSSMCTSA-N 443.389 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1c(C)sc(C)c1Br 1749152681 CKIAIRWBXIJQKW-UHFFFAOYSA-N 449.422 4.570 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749181833 GNCKBLPWJXPXDE-LJQANCHMSA-N 439.423 4.987 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2Cl)CC1 1749258144 NRGPKDPADXIOLO-UHFFFAOYSA-N 449.773 4.726 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](CC)C1 1749448709 BHPAFTLCUVHBOJ-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749450305 BSXZHVINEODDQO-CEXWTWQISA-N 445.633 4.506 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1Cc1ccsc1 1749531442 HPJZBVDEOVAMGE-UHFFFAOYSA-N 446.605 4.808 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1CC 1749532016 RSKQCKRQBFLWCW-YADHBBJMSA-N 429.572 4.569 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H](CC)N1CCCC1 1749538441 IXUMMXHDNGWIJC-QHCPKHFHSA-N 430.600 4.716 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@H](CC)C1 1749761729 FMZDGBQWCAWIQG-GOSISDBHSA-N 427.643 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1760320397 UVRJUBOKKABYAW-VLHNPEIBSA-N 438.616 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1760340954 UEDLUXCHRIRBHW-URXFXBBRSA-N 437.588 4.582 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCSC2)CC1 1760384900 HVFCHKMZWIANBE-GOSISDBHSA-N 428.602 4.650 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC)C1 1760437545 HJXGUWFZZRCIAB-IBGZPJMESA-N 434.588 4.829 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760446568 WBHLUMQKODVZJJ-FYYLOGMGSA-N 438.616 4.841 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1760466877 MJAFLZSKXLKEPG-UWJYYQICSA-N 432.996 4.974 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCC(C)CC1 1760477439 ADANHKYEVQTKTH-OAQYLSRUSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CCOC(C)(C)C 1760487290 NWGFQYSLTIJGBZ-UHFFFAOYSA-N 431.631 4.703 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C)[C@@H](C)C1 1760568286 DVGQNQIOVUYIAO-ROUUACIJSA-N 432.659 4.981 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCSC2)cc1 1761086149 GLLXBZBLFOCHMC-RBUKOAKNSA-N 427.618 4.861 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)CCCO2)c1C 1761584406 APESEDLFBUOLMU-CPJSRVTESA-N 437.588 4.734 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3C)cc2)cc1 1772733751 JTPWRUAFLYJHBL-ZBSNTWHLSA-N 445.544 4.943 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccc([N+](=O)[O-])cc2)cc1 1859399465 QHQUSCPEGLZWOJ-UHFFFAOYSA-N 439.431 4.580 30 10 IJEE Cc1ccc(C(=O)Nc2ccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)cc2)cc1 1860140233 GHISDGGWEPHPIY-UHFFFAOYSA-N 431.517 4.687 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)c1C#N 1860631009 RCXOFCNJWYBXGJ-RMKNXTFCSA-N 439.556 4.947 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432490 FZBGMQYYBLGXOY-IIBYNOLFSA-N 436.895 4.579 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862433943 OSXXJRQSSJOSFV-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1 1862494754 PKKTZPYSMVNFRH-JOCHJYFZSA-N 433.504 4.611 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Cl)c2)ccc1F 1862503104 PRCQIUSWYKTZLI-NRFANRHFSA-N 436.870 4.961 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862557137 DWKFWYUQKUFFEU-NYHFZMIOSA-N 443.459 4.517 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862584870 JKQXRYWPFDPDFI-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(Cl)c2)cc1 1862591603 KIYTXSJZXVAXHK-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H](C)CC)c1 1862631162 LFGRFURKSGLJSH-IVZQSRNASA-N 437.492 4.581 30 10 IJEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(OC)c(OC)c2)C1=O 1863520951 OBQYNXHQENHQEW-UHFFFAOYSA-N 428.573 4.676 30 10 IJEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccccc1OC)C3=O 1871350734 RJXSZJGMGDNQQJ-HAHDFKILSA-N 437.536 4.979 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 1871389489 YKZMJGXHESXDCF-BKUYFWCQSA-N 429.428 4.541 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(O[C@H](C)C(=O)OC(C)C)cc(C)c3C1=O)cn2C 1871400620 GQEZQWRBHOYBLU-SQTWMXCFSA-N 449.503 4.830 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1871888959 AIEGBOJOIBEDTO-LAUBAEHRSA-N 434.989 4.960 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 1871967774 AAJPKPKCMWVAIT-NRFANRHFSA-N 436.524 4.585 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CCCC 1872197917 SMAZTHAEMRVIBK-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE Cc1ccc(-n2ncc(N/N=C/c3c(F)cccc3Cl)c(Br)c2=O)cc1 1873525960 HDNNEYCTLZLOJV-LSFURLLWSA-N 435.684 4.542 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(NCc3ccccn3)ncnc21 1873633684 ZFUHLUJYNZXOKD-UHFFFAOYSA-N 448.914 4.539 30 10 IJEE CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1c[nH]c2ccccc12 1874212162 ZFHOFAPDIWLFTJ-WSDLNYQXSA-N 426.343 4.717 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OC)c(O)c1 1874230893 HYHCYWVBYPSEKB-FSJBWODESA-N 446.960 4.917 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccn2C)cc1 1874306015 BIZYABVHNHKUEL-YZSQISJMSA-N 445.592 4.893 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccn2)c1 1874425536 NXTIPRHROGYXBB-CVKSISIWSA-N 442.548 4.570 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)c1 1874596910 JLZNVDSEFRBZDL-ZRDIBKRKSA-N 431.488 4.926 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)NCc3ccco3)c2)c(OCC)c1 1874600458 NOUMPGOTVHGGBF-JLHYYAGUSA-N 449.503 4.668 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1874759085 TYBFWYINIMBZMH-UHFFFAOYSA-N 427.888 4.747 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875150369 KKMKXCGQIFJQQN-UKTHLTGXSA-N 446.455 4.695 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H](C)c2ccc(Br)cc2)c1 1891141839 YJRCHOHUZWJGCL-GOSISDBHSA-N 443.385 4.597 30 10 IJEE N#Cc1ccc2c(c1)N(C(=O)C1(NC(=O)OCC3c4ccccc4-c4ccccc43)CC1)CC2 1963528890 KWOZWFNQQATRPY-UHFFFAOYSA-N 449.510 4.519 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1976249244 FGHUYBKXGGBZIP-HIFRSBDPSA-N 446.183 4.518 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 1983858718 XXJGLISYQLTQIR-PNLZDCPESA-N 433.574 4.777 30 10 IJEE O/N=C/c1cc(C2CCCCC2)nn1Cc1c(F)cccc1I 2070156206 YZWQNGOARAARTB-KEBDBYFISA-N 427.261 4.531 30 10 IJEE C[C@H](c1ccc(C2CC2)cc1)n1nc(C2(C)CC2)c(/C=N/O)c1I 2079052999 XZTKWELUHNSXMD-KIHMUJGBSA-N 435.309 4.834 30 10 IJEE C[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cc(Br)cs1 2124453691 KOKPHSMFPZKJAY-JSGCOSHPSA-N 444.395 4.665 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3cc(Cl)cc(Br)c3)CC2)OC1(C)C 2163712668 CYRUNRACFZQPOC-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE C=CC1(CNC(=O)c2cc(I)ccc2Br)CCCCC1 2189598593 QOOMCYIGLAFGSQ-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@H](N)C#Cc3ccccc3Br)(C2)C1 2235724709 GKBHCPQHWFCFMC-DKZVUGQWSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Nc1cc(Br)cc(F)c1C#N)C2 2241107193 WRQYDOAFAXZGJR-XYZKALLWSA-N 438.341 4.954 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)cc(C(C)C)c2)CN(C(=O)OC(C)(C)C)C1 2280679814 XSEIODRKQXCJIG-UHFFFAOYSA-N 437.378 4.868 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(F)c(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2283248945 PQYVFMMYAXWAHC-UHFFFAOYSA-N 445.304 4.869 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2293039413 ZSNQCUYHYDJPHU-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCCCN1C(=O)OC(C)(C)C 2296292890 DCSDKGQZZWYXIB-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C 2296295792 HHSYDFSEKCUFQS-DBVUQKKJSA-N 437.422 4.964 30 10 IJEE CCN=C1SC(=Cc2cc(OC)c(OC(C)C)cc2Br)C(=O)N1CC 2313555889 CQJBLGTUFACKAS-UHFFFAOYSA-N 427.364 4.557 30 10 IJEE CC#CCN(C[C@@H](N)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2316095021 OQOVAOFPDSZNAD-HNNXBMFYSA-N 429.786 4.541 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)c1OC 2321958588 BIJHQBYYPANFPM-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(CCCCN2CCCC2)CO3)C1=O 2322115142 YWNQPFIUSGDKBK-UHFFFAOYSA-N 448.563 4.729 30 10 IJEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1ccc(OC)c(OC)c1 2322341246 LGZDSWQNTNKZOW-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)C(=Cc1ccncc1)O2 2322930481 VOAADSVXPPDWRO-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(C)cc4)ccc3C2=O)c(OC)c1 2323190039 CSBIAXHZNBLGTB-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccc(F)cc3)CC2)c2c1C(=O)C(=Cc1ccccc1)O2 2324041408 ADHXWCSGVGAPMC-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1 2325235221 UHSLTPUKQKXREM-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2F)C3=O)c1 2325384787 MKZRZWZHFQJGOA-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2325739377 RAJXYGQPSQIYFL-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccc(C)c1 2326187785 CBRSKVDZZJSOAK-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE OCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(Cl)cc1 2326625671 XSGHJADYWSWAPH-UHFFFAOYSA-N 436.968 4.837 30 10 IJEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(C(=O)OC)cc1 2328961760 DSQJFCFJKFAFJP-UHFFFAOYSA-N 436.581 4.851 30 10 IJEE Cc1ccc(C=Nn2c(CCc3cccs3)nnc2SCC(=O)OCC(C)C)cc1 2329687495 GBWYNISHRUXQAN-UHFFFAOYSA-N 442.610 4.607 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3cc(OC)ccc3OC)cc2)c1 2330775752 GDKITOCENSJVOW-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(O)cc1 2330825897 ZQOSSJLKPBWUKC-UHFFFAOYSA-N 425.514 4.655 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)CCOC 2330893184 KYKCNISYUFZITP-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331030796 VVRGQOQWFLNTRJ-UHFFFAOYSA-N 446.415 4.937 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2)c1C 2331112564 XIWJTCQFEJLHME-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc2ccccc12 2331392070 MNRJUPMUBLHRKH-UHFFFAOYSA-N 447.564 4.613 30 10 IJEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2cccc(F)c2)c(OC)c1 2331443741 OEVHCKFBYUUOBW-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC 2331444179 VHPBPEOFFYRXHW-UHFFFAOYSA-N 447.281 4.788 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C(C)C)cc(OC)c1OC 2331669787 VFWOIGYOQKMLBQ-UHFFFAOYSA-N 440.569 4.910 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2C)nnc1C(C)C 2331673752 BUAOBFNKSZXYBK-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)NC2CCCCC2)nnc1C(C)C 2331703443 IFVISUCXFLUDCH-UHFFFAOYSA-N 443.617 4.614 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@]2(N)C#Cc1ccccc1Br 2380858742 CONHREFZDYTKNL-DVRVPYBTSA-N 433.390 4.602 30 10 IJEE C=CCn1c(SCC(=O)NC2CC2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 9944586 WSYOMNFYOGKNFL-OAHLLOKOSA-N 430.643 4.714 30 10 IJEE C=CCN1C(=O)[C@H](Cc2ccc(Br)cc2)S/C1=N\N=C\c1ccccc1 11565523 WYDJBTQIEVTJIP-ZTFHPCNJSA-N 428.355 4.512 30 10 IJEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(Br)ccc2F)cc1 21256208 MLBUMJFSIYZOEI-YOEHRIQHSA-N 428.301 4.901 30 10 IJEE CC[C@@](C#N)(CCCN(C)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 38613421 DJESQVUROIXZIM-SANMLTNESA-N 440.584 4.847 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC)c1OC 40076878 IQPVPTQJFACGMH-LJQANCHMSA-N 429.900 4.736 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)c(C)c1 59015651 MDHYBBNIZBNHMJ-LSFURLLWSA-N 449.367 4.905 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCCC)cc2)S/C1=N\c1ccccc1F 59108711 OZIIZGGJKCBWAY-UOODYVSWSA-N 441.528 4.761 30 10 IJEE COCC/N=C1/Sc2nc3cc4c(cc3cc2CN1Cc1ccc(Cl)cc1)OCO4 101506490 USQBDTUZTDYUIN-ZNTNEXAZSA-N 441.940 4.727 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1O 169942675 XIPLSPAWHPEOMK-QHCPKHFHSA-N 441.439 4.930 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccs1)c1ccc2c(c1)CCO2 169989657 KOZXONLQIYCYIB-QFIPXVFZSA-N 449.503 4.643 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)c(Cl)c1)c1c[nH]c2ccccc12 170041225 WSLNGMSXMNJTMU-NRFANRHFSA-N 448.862 4.898 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)c1 170121617 OKZLMJSNRBEOMS-QHCPKHFHSA-N 435.520 4.842 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170123117 FQPISECMCJCRJG-RDPSFJRHSA-N 443.499 4.606 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccn1 170181742 HFFPIGKATGWFGD-IBGZPJMESA-N 449.334 4.782 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccc(O)c(Cl)c1 170219934 FLPJBBVFCMTBIK-GOSISDBHSA-N 436.291 4.696 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2)c1 170227912 FJHYMJPKGHDVTR-GYCJOSAFSA-N 441.483 4.807 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)cc1C 170242121 AHKYKUYBLRSBKK-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1c[nH]c2ccccc12 170253916 VJTUAXVDRMNVFU-LJQANCHMSA-N 445.302 4.699 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCC2 170258808 SCLFMUHPFZXPJA-XMMPIXPASA-N 441.483 4.760 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@H]2c2ccco2)cc1 170284569 QYKAOQUUCRNNBP-OAQYLSRUSA-N 433.460 4.697 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)[C@H]2c2ccco2)cc1 170284781 KNEYJYMSWBNSJA-OAQYLSRUSA-N 445.427 4.826 30 10 IJEE N#C[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]2[C@]1(C#N)C(=O)c1ccccc1 229758701 JPOKHAFLHATZSZ-WXGXSRQYSA-N 447.469 4.951 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 407364448 TXQIEDFMFFWOJR-CVEARBPZSA-N 433.337 4.717 30 10 IJEE N#Cc1ccsc1C(=O)Nc1ccc2c(c1)[C@H](NC(=O)c1sccc1C#N)CCC2 410223733 HDQQJKHTNLUGCB-GOSISDBHSA-N 432.530 4.613 30 10 IJEE CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(C(F)(F)F)c1 443308307 FEYLPMJBVNOQPE-WLYUNCDWSA-N 441.519 4.981 30 10 IJEE Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)nn1CCC#N 504097444 MHWKCOGAYNWEMI-UHFFFAOYSA-N 430.443 4.577 30 10 IJEE C=CCCc1ccccc1NC(=O)CSCC(=O)Nc1cccc(Br)c1 507147127 ANRCBGCFOCEDQD-UHFFFAOYSA-N 433.371 4.878 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508495042 SVWDJWATPWYTAW-GOSISDBHSA-N 434.931 4.594 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 508900361 ALURYDZEHUQJOP-UHFFFAOYSA-N 449.986 4.626 30 10 IJEE CC(C)(C#N)CNC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 512788938 UJNHVJOCYPUNFZ-LJQANCHMSA-N 444.535 4.510 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1cccc(O)c1 526491254 KPTYBUAVICFNEO-QHCPKHFHSA-N 442.471 4.728 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccccn2)cc1OC 526605485 QNGCRFNZFSKXTP-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(SCc2ccco2)C1=O 526668555 ZFWHRSNGMLLPES-UHFFFAOYSA-N 445.500 4.599 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1c1ccc(I)cc1 536060084 VASYMWXMRALURD-KRWDZBQOSA-N 447.276 4.540 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C[C@H](c2ccsc2)O1 549539607 QAOVCDXYYZXTGX-FDDCHVKYSA-N 441.560 4.893 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C)c(I)c1 553453557 BUIPJMRYCSHYBZ-UHFFFAOYSA-N 437.325 4.596 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 577195054 ROACYRBFSGKNHP-KKSFZXQISA-N 437.475 4.535 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(F)cc2Cl)n(Cc2ccco2)c1C 611396617 CAPXUARXLZJPID-AWEZNQCLSA-N 428.895 4.700 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCOC3(CCSCC3)C2)cc1OC 676355644 DBTVVIVJYGYBEU-INIZCTEOSA-N 442.419 4.557 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 726733077 PJZMIIWZTUQSBY-KRWDZBQOSA-N 447.516 4.625 30 10 IJEE CC(C)(C)OC(=O)N1CCC(N(C(=O)c2sccc2C#N)c2ccccc2F)CC1 741956602 FFHNAPCVEJBPMA-UHFFFAOYSA-N 429.517 4.805 30 10 IJEE CC(C)n1ncc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1-c1ccccc1 753623803 AVVPWHWCMAQYDU-HNNXBMFYSA-N 448.548 4.737 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1nc(C(F)(F)F)cs1 767377981 LMOWHAQQYFFOSC-UHFFFAOYSA-N 432.353 4.869 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCN(C)C(=O)OC(C)(C)C)n2)cc1 777299068 YTHILDSNJGJCGK-KRWDZBQOSA-N 429.542 4.642 30 10 IJEE N#CCOc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)cc1 787486204 BDKOVGRZSWYUAQ-UHFFFAOYSA-N 428.208 4.692 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 809926989 YJMVMCFMILJJIA-TWFHAPMSSA-N 433.383 4.729 30 10 IJEE C=CC[C@H]1N(c2nnc(CNC(=O)OCc3ccccc3)n2CC(C)C)CCCC1(C)C 812219107 PHOLAJPKWXIPQE-OAQYLSRUSA-N 439.604 4.932 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)n1 812573211 UMJNBCDQDPRXTO-FQEVSTJZSA-N 434.506 4.724 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3cccnc3)n2)cc1 1083993119 GEXLBXVTQQMROB-HNNXBMFYSA-N 437.573 4.670 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c(OC)c1 1124617136 NESHWOZGOAFYAX-UHFFFAOYSA-N 438.427 4.950 30 10 IJEE CCCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CCCN(Cc2ccccc2)C1 1125682037 FKMJJHVAFPJEHX-HSZRJFAPSA-N 428.536 4.730 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(OC3CCCC3)nc2)nnc1-c1ccco1 1125709178 OOXDMMGLJHZKFB-UHFFFAOYSA-N 439.541 4.561 30 10 IJEE Cc1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(N2CCOCC2)c1 1127068274 HYGYSQIXPXEUMA-UHFFFAOYSA-N 441.531 4.734 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc(F)c(N3CCOCC3)c(F)c2)C(C)(C)C)cc1 1128143547 KVETYYUMFLRKIM-UHFFFAOYSA-N 444.522 4.807 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)C(F)(F)F)cc1 1128968931 USITUSYSYJVVCJ-HXUWFJFHSA-N 434.410 4.849 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OC)cc1OC1CCCC1)c1ccc(Br)cc1 1129610585 NETRGUAWCIODAT-HXUWFJFHSA-N 428.326 4.883 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(Br)c(Br)c2)cc1 1132810566 LVNYANWNGUQUHC-UHFFFAOYSA-N 425.120 4.958 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)c(Cl)c1 1134652947 PUXSAOUJIQXWBC-UZLBHIALSA-N 434.845 4.888 30 10 IJEE CC#CCNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1137920987 PMJHQWCAFHDQHF-AREMUKBSSA-N 438.527 4.714 30 10 IJEE C#CC[C@]1(C(=O)Nc2c[nH]c3ccc(Br)cc23)CCCN1C(=O)OC(C)(C)C 1184103798 YQYUYBSMRLZBTC-OAQYLSRUSA-N 446.345 4.662 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1Cl 1188289109 FLYWOJMABVULEN-CRAIPNDOSA-N 428.863 4.845 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NC/C=C\c2ccc(Br)cc2)cc1C#N 1202377203 FFHFCTDXIFEJLU-ARJAWSKDSA-N 443.301 4.724 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 1215241571 CRHZQSCPXJWTQJ-UHFFFAOYSA-N 436.512 4.872 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C)c(C(=O)OC)c1 1215652535 HDRINAUAEKPIMG-UHFFFAOYSA-N 435.293 4.903 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1228086425 HOTWJEWYIIKTIQ-YADHBBJMSA-N 440.588 4.531 30 10 IJEE C#CC[C@@]1(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1265741247 JUDZGQXKZRXYHK-DEOSSOPVSA-N 428.960 4.749 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3)c2)cc1 1266832429 ATNSVYMYESNVJS-QFIPXVFZSA-N 431.923 4.799 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F)c1ccccc1 1277181207 PQISEGGGOXZUQS-RBUKOAKNSA-N 432.442 4.762 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1286337365 FSMOAYISGVITSJ-HXUWFJFHSA-N 431.584 4.770 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCc1sccc1C 1286364980 PDUIYJHOWZVBNT-UHFFFAOYSA-N 433.350 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ncnn1C(C)(C)C 1286570041 LCYMPZPKYMZCGA-UHFFFAOYSA-N 433.604 4.545 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCN2CC)CC1 1286637531 GXKINCICINXMHQ-UYAOXDASSA-N 429.996 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1286666616 KIPYDTHQAWOYDE-RXVVDRJESA-N 439.604 4.615 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1286696386 CAJNMJSMOKBMFQ-LJQANCHMSA-N 439.579 4.525 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC=CCC1 1286744497 KNRBDSKPUISANM-OAQYLSRUSA-N 447.608 4.819 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cccs2)C1 1286801657 FMUVERSLZXZGOO-KRWDZBQOSA-N 445.386 4.599 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccoc2)C1 1288981618 GCXUXDKNAPDZOD-OAQYLSRUSA-N 427.961 4.995 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CC1CCC(C(F)(F)F)CC1 1298327017 HXWVBPWFGDTDEY-NQKNOSNGSA-N 447.505 4.659 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC[C@@H]1C 1300516366 LXVAXMTZIXNWAA-HOTGVXAUSA-N 445.792 4.870 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N(C)C1CCCCC1 1300776475 KXZJAFIDBIGWNG-UHFFFAOYSA-N 430.643 4.714 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1C1CCC1 1300776819 NMPXCAGBLABUDW-LJQANCHMSA-N 442.654 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1[C@@H]1C[C@H]1C(C)C 1300817665 VKLGTOMHIZLKBK-YBJWPOLQSA-N 427.593 4.559 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1301003628 NJMLFQKGQZBIJB-UHFFFAOYSA-N 447.505 4.609 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCCC)c1ccccc1 1301004223 VXZSIPHUPDIYCA-UHFFFAOYSA-N 428.378 4.996 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(N(C)C)CCCCC2)CC1 1301069284 BQYIJIUGWGDHLL-UHFFFAOYSA-N 445.558 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(C)CCCS2)CC1 1301074843 MVLZIXBOSBEWIC-QHCPKHFHSA-N 428.602 4.795 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(C)CCCS2)CC1 1301135026 RIUKVQJEABNDLK-HSZRJFAPSA-N 428.602 4.554 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CN(C)C1=O 1301167542 BLIPESGDMYUAON-SANMLTNESA-N 437.632 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](c1ccsc1)N(C)C 1301278092 DQVPJNSPOLFEPL-SFHVURJKSA-N 446.418 4.694 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(C)C 1301310784 SJUUTQDOTIWBIU-SFHVURJKSA-N 431.993 4.742 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)ccc1F 1304107824 QXHJMMLVAOEACR-UHFFFAOYSA-N 449.507 4.691 30 10 IJEE CC(C)(NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC(F)(F)F)cc1 1307740054 CANGRJTYGCDTLY-UHFFFAOYSA-N 437.487 4.861 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1310099603 SWQNFCMBWDISHF-UHFFFAOYSA-N 445.585 4.918 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCC)cc1F)[C@H]1CCOc2ccc(Br)cc21 1310896011 KZMNBMPEMRRCRR-IBGZPJMESA-N 447.304 4.978 30 10 IJEE CO[C@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1315686374 AQDMZFNFTAZXMJ-GOTSBHOMSA-N 433.600 4.847 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 1325257066 XNOQGUOHBOAPLE-INIZCTEOSA-N 437.721 4.707 30 10 IJEE CCOC(=O)c1sc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c(C#N)c1C 1349990237 FRVMXBNUGGJNFY-UHFFFAOYSA-N 438.505 4.747 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1357176381 QYZLETWSFXGEPC-UHFFFAOYSA-N 444.572 4.607 30 10 IJEE C=C(C)[C@@H](CC(=O)NCCOc1c(Cl)cc(Br)cc1Cl)OCC 1358080139 JGJUDZDKVYMZDC-CQSZACIVSA-N 425.150 4.622 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1358878343 VEXKCOPFBFWWDC-ZWOKBUDYSA-N 445.405 4.761 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N(C)Cc1cc(Br)cs1 1358909660 NFOBRVRZBKMIOF-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359005081 VDAROYKPBBEFCD-MUJYYYPQSA-N 449.368 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C(C)C)N1CCCC1 1359114546 OAYRQDGFAZFKLZ-QFIPXVFZSA-N 431.575 4.670 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1359126936 DDEYTNQMAQIQLD-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCC(C(F)(F)F)CC2)CC1 1359158554 XHDDRWUNULBQOM-UHFFFAOYSA-N 441.542 4.722 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCc2csc(CC)n2)CC1 1359168830 KNDRQROIVFOIBC-UHFFFAOYSA-N 437.613 4.838 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2cccc(Br)n2)CC1 1359176840 PQYCDBNJOHQDMG-UHFFFAOYSA-N 442.336 4.692 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccccc2F)CC1 1359182343 CJNPLLNMRNZEKY-UGKGYDQZSA-N 442.579 4.521 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCOCC2(CCC2)C1 1359206855 RNSROGNLPLOBGY-UHFFFAOYSA-N 442.629 4.942 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(N(C)C)c1 1359234695 XIMBBHGBCBLABP-UHFFFAOYSA-N 432.391 4.506 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1360465888 CKXMKGCJRHEICL-SJLPKXTDSA-N 439.610 4.741 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nn(-c3ccccc3F)c3c2CCC3)C(F)(F)F)cc1 1436238121 APXFOLICVATGOZ-OAQYLSRUSA-N 428.385 4.942 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1440806453 AEMKXVBZLKYDJJ-UHFFFAOYSA-N 444.329 4.637 30 10 IJEE C=C(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1448024884 ZEFBCQADQTXYMY-SANMLTNESA-N 440.543 4.829 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 1451651325 ATVMMZTXHUUUIT-UHFFFAOYSA-N 435.892 4.946 30 10 IJEE C=CCCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1ccccc1 1455294304 UYFWIZCRPNZABJ-YPHDTHBOSA-N 437.584 4.987 30 10 IJEE C#CCN(C(=O)[C@H](C)CCOc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1456443817 FDIILXHXBFCWCE-DYESRHJHSA-N 442.353 4.840 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(c3cccc(Cl)c3)CC2)CCCN1C(=O)OC(C)(C)C 1459418895 ABZCZMFMIPOAGH-XMMPIXPASA-N 430.976 4.839 30 10 IJEE CC(C)(C)Oc1cccc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)n1 1459698556 DAHHNVNBENFZBG-UHFFFAOYSA-N 427.508 4.919 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)c1 1460092797 HPKMFYUSUMQVGI-QFIPXVFZSA-N 426.545 4.948 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(c4ccc(Cl)cc4)CCCCC3)cc2C1=O 1464687461 NOHKKGQXIQYEFZ-UHFFFAOYSA-N 436.939 4.754 30 10 IJEE C=CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccc1 1468641665 GTXRRFLKNBZIDU-UHFFFAOYSA-N 426.925 4.974 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 1471619887 PWANVRGHNKGXDM-RCCFBDPRSA-N 426.479 4.927 30 10 IJEE N#Cc1ccc(C(F)(F)F)n(CC(=O)Nc2ccccc2Sc2ccccc2)c1=O 1473077740 GXTUOOYTOKFNIH-UHFFFAOYSA-N 429.423 4.529 30 10 IJEE N#Cc1ccc(NC(=O)CCN2CCC(c3nc4c(s3)CCCC4)CC2)cc1Cl 1473569084 GXWCIFQNMAMASC-UHFFFAOYSA-N 428.989 4.755 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(C)cc(C)c1OC 1474918948 UOFQAFYHAAJWTM-UHFFFAOYSA-N 442.350 4.591 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)cc1 1476082543 CEFPLQCNMXGBOB-JTSKRJEESA-N 431.492 4.645 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)CCCCC1 1476087550 YPRWGRVNKSUYKZ-UHFFFAOYSA-N 430.556 4.983 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)cc(OC)c1OC 1476215194 MPCIDJABRWCXGU-UHFFFAOYSA-N 440.540 4.638 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(CCN(CC)CC)Cc1ccc(Cl)cc1 1476224451 DEDJIPBAJWPEAO-UHFFFAOYSA-N 431.939 4.867 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@H](c1ccsc1)N(C)C 1507700002 MYZDABGQTCZVDO-OAQYLSRUSA-N 425.577 4.545 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507749711 ZADMOWCEPOWCFR-OKILXGFUSA-N 439.448 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507815475 BBYIATOUTYXITA-UWVAXJGDSA-N 430.515 4.626 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1csc(Br)c1 1507825425 WQKYIBJHBXODHU-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1507919662 HARQADUGMBHAEJ-XRXFAXGQSA-N 430.637 4.662 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CCOC)C1)c1ccccc1 1507924458 NTDDMRXACUTSMI-JTHBVZDNSA-N 431.584 4.871 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1507941661 IDMXVYJOROUHJG-GMAHTHKFSA-N 432.616 4.874 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCC[C@@H]1C 1508014792 DSRPBJAEZWJPTI-MOPGFXCFSA-N 425.646 4.794 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1508019438 DVAVAFPEYFSJEF-YCFYUYSTSA-N 428.621 4.580 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1508020404 NEWHJEXHYMGKHB-OALUTQOASA-N 442.677 4.569 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(SC)CCC1 1508020569 NGOYBJJICWSOKC-HDICACEKSA-N 447.649 4.513 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1(C)CCC1 1508037671 NXLQCFMKAQDNHT-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1508046800 IFTBFGPTQYXZOA-HXUWFJFHSA-N 439.604 4.922 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CCC(C)CC1 1508161387 LNZTVLKCBPRXAZ-WIXQSORDSA-N 428.602 4.725 30 10 IJEE CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1)c1cccnc1 1508864880 CJEBFEWNDUXWBH-QFIPXVFZSA-N 432.547 4.583 30 10 IJEE Cc1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1511358279 BATRPNFQEAIGIZ-UHFFFAOYSA-N 434.956 4.920 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@](F)(C#N)C2)C1 1512173185 HDHQWZJDLBGIDN-UZUQRXQVSA-N 444.986 4.551 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 1519865333 UONLTLPCVRRKLH-UHFFFAOYSA-N 425.866 4.568 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C(C)(C)CC)c1 1520341271 URGOYHPEWDKYNA-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)cc1 1521279545 VFDUAGIADWTDNW-UHFFFAOYSA-N 434.536 4.706 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCc3cc(C)cc(Br)c32)c(OC)c1 1524920730 QPKUDHSTPNXBPQ-UHFFFAOYSA-N 430.342 4.853 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1 1524983034 DNAUBCMYTCPAFS-UHFFFAOYSA-N 441.281 4.856 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1 1525761040 JZXLDIZEUAAHIX-SFHVURJKSA-N 435.442 4.676 30 10 IJEE C#CC[C@]1(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CCCN1C(=O)OC(C)(C)C 1526512823 BIHMCACDNJPOAK-HSZRJFAPSA-N 443.544 4.605 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(CC(C)(C)C)c2cccc(C)n2)nnc1-c1ccco1 1532960405 YPJBMOMQZDHRDX-UHFFFAOYSA-N 439.585 4.989 30 10 IJEE C=C(CC)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1536092000 FGDVLCMXVWCYCW-PXDATVDWSA-N 436.552 4.579 30 10 IJEE C#CCSc1ccc(COC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1 1537411208 OLNZGELSAXVPTM-UHFFFAOYSA-N 437.590 4.834 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)NC(C)(C)C 1538971455 BBJBZQVBUPBCBK-CQSZACIVSA-N 444.004 4.576 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](c1ccsc1)N(C)C 1539246806 RCNQUUBEZZTQPN-QHCPKHFHSA-N 445.636 4.680 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1539278748 KLRRMBPUTIJOPV-XXBNENTESA-N 443.016 4.644 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCC[C@@H]1CC 1539350426 LJDJZUICDKWRLV-FPOVZHCZSA-N 439.673 4.855 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1ccc(C)s1 1539506549 LKHXPIZAZYSZAD-UHFFFAOYSA-N 433.606 4.866 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCOC 1539620751 NIUACTRTDGJFLS-IFMALSPDSA-N 426.605 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)CCC(C)C 1539651155 AOSNRCJNTSUSLC-HXUWFJFHSA-N 438.414 4.625 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1539670846 AZOBMUOGKJOCMJ-MZLICYQSSA-N 429.008 4.866 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccccc2OC(F)F)CC1 1539839714 CKXNOFIMEWTWGN-UHFFFAOYSA-N 445.901 4.994 30 10 IJEE C=CCCCCn1c(N2CCSC3(CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539975255 PRKWMMPPMFJIHR-XMMPIXPASA-N 448.677 4.931 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1540051950 SSYFXODRBZYMHU-TZMCWYRMSA-N 446.315 4.962 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCOC[C@H]1C 1540056559 LURCZTBLIHYSJJ-KGLIPLIRSA-N 439.785 4.656 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1540119523 KUTSEBJERBSNCH-LADGPHEKSA-N 445.567 4.523 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)SC 1540127794 UYGUIYLJJRZAKX-OAHLLOKOSA-N 446.418 4.980 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1Cc1c(CC)nn(C)c1CC 1540158597 MQHMDYLTCOAWIP-UHFFFAOYSA-N 430.556 4.776 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1N(C)CCCC1(C)C 1540158979 VPIUIAWHMCLPNN-OAQYLSRUSA-N 444.023 4.906 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC1(C)CC1 1540164221 KDBISRSVPRMVMK-UHFFFAOYSA-N 432.572 4.605 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccc(F)cc1 1540186961 JOGKIKIMGPVDTK-VWLOTQADSA-N 438.547 4.811 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540879894 RFZFNXFBDGEMBX-JTDSTZFVSA-N 438.494 4.561 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCSC(C)(C)C1 1540910072 WNOHOVIJFKUIKJ-MRXNPFEDSA-N 436.622 4.808 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)cc1OC 1542524848 WKZPEGVLIYXDHM-FYWRMAATSA-N 449.528 4.745 30 10 IJEE COC1(CCn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@H](C)CC#N)CCC1 1554707073 GGNYIYZBGQPEAY-DLBZAZTESA-N 427.618 4.829 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1556360799 BVFJBFHNFPBPDG-FOIQADDNSA-N 441.450 4.869 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C 1556660255 JOEYLRCHVYGAJS-JKSUJKDBSA-N 447.016 4.675 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 1557064009 HGDPSYVUEAMFKF-FYYLOGMGSA-N 433.552 4.578 30 10 IJEE C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(Br)ccc1C#N 1561346004 ASYUDIVSNRRYKM-STQMWFEESA-N 441.778 4.787 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1F 1561556047 HQTIQMNKDSQTHU-AWEZNQCLSA-N 426.218 4.804 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1562900511 GUTCTAYSYNLGNN-BMZZKGLRSA-N 434.540 4.929 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC1CCCC1 1566867362 NWFWPYZHYUPVBU-XMMPIXPASA-N 434.536 4.850 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 1583506546 STHWPGLSDPMBSQ-SUMWQHHRSA-N 429.314 4.861 30 10 IJEE C=CCCC1(CNC(=O)Cc2csc(NC(=O)c3cc(C)ccc3O)n2)CCCC1 1584403626 XMJMMVWQXOCWPC-UHFFFAOYSA-N 427.570 4.595 30 10 IJEE C#CCCN(CCOC)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1586966280 YTBWINPJTYLYRF-VZCXRCSSSA-N 440.543 4.842 30 10 IJEE C#CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1cccc(C)c1C 1587898853 ZRMPSTZRWANMHE-FXAWDEMLSA-N 440.498 4.969 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nc(C)c(C)s1 1588193739 KSPFHSSZYWCYJY-MRXNPFEDSA-N 449.649 4.716 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC=C(Br)C1 1589515481 OANOUKMEJFMAOH-DNVCBOLYSA-N 447.352 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1CCOCC1 1589615090 JTDUDLHCBAWJKA-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C(F)(F)F)CC1 1589715073 BDQAEGPRACRVIN-UHFFFAOYSA-N 427.268 4.983 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCn2nc(C)nc2C1 1594455553 RLESSFHAASVNIU-LJQANCHMSA-N 449.603 4.557 30 10 IJEE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CO)CC1 1594573263 QIZNYXZJLPPQGK-UHFFFAOYSA-N 433.600 4.918 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1594733360 RRFHMSWROPXELR-QGZVFWFLSA-N 445.011 4.736 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccncc1 1594855387 BZDRZCCLRIZPCU-GOSISDBHSA-N 425.964 4.948 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC1(O)CCCCCC1 1595234621 WGVNDIHBOLWUDK-UHFFFAOYSA-N 433.600 4.604 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1595267615 YTIGQMPDCIOCHO-LNLFQRSKSA-N 445.405 4.783 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 1595808197 NOSOJLMCBZCXBV-HNNXBMFYSA-N 430.335 4.555 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1595845459 TWXYGPMJNPHXAM-ZACQAIPSSA-N 437.009 4.604 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(CC(F)(F)F)CC1 1595871519 UJZNLLYTBQGYPP-UHFFFAOYSA-N 425.524 4.737 30 10 IJEE C#CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)C(C)(C)C 1598261662 QYJKNLXYCPOVMW-UHFFFAOYSA-N 432.471 4.889 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1615819667 DUUOBDQDBFAZGG-IEBWSBKVSA-N 447.052 4.837 30 10 IJEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1)C(C)C 1622724384 KZOIPHNUHRNJCR-UHFFFAOYSA-N 445.585 4.938 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 1624576815 BUJNQCMHWYXNGK-IBGZPJMESA-N 440.931 4.625 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCn2nc(C(C)(C)C)cc2C1 1625542549 MIUCFCCKUIZQFS-UHFFFAOYSA-N 433.350 4.556 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 1626506063 RADSPLDYIRZBES-RTWAWAEBSA-N 428.573 4.616 30 10 IJEE CC[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)N(C)C(=O)OC(C)(C)C 1626671649 GYKUPBJVBDJAFU-FQEVSTJZSA-N 441.503 4.860 30 10 IJEE C#C[C@H](NC(=O)NCCOc1cccc(Cl)c1Cl)c1ccc(Br)cc1 1630020652 BIAWHVJSOKVTSF-HNNXBMFYSA-N 442.140 4.808 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)n[nH]2)c1C 1630265427 GQKPCLDOJGXOOW-UHFFFAOYSA-N 440.507 4.581 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1)c1ccccc1 1633351369 MKWYGDXUBUXXNB-HSZRJFAPSA-N 428.511 4.936 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc[nH]1 1634530973 HYIYRZHRWZGYMX-HSZRJFAPSA-N 449.938 4.681 30 10 IJEE C=C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC)c1ccccc1 1634874210 OVSLREQBDTXEQH-UNMCSNQZSA-N 436.552 4.785 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1636941245 NVVPRLKPXKEAQC-IBGZPJMESA-N 443.391 4.930 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(COc2cccc(C=O)c2)c1)c1ccc(Br)cc1 1637663048 LUDRTDKRXLQOLI-HSZRJFAPSA-N 448.316 4.945 30 10 IJEE C=CCN(C(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1)c1ccccc1 1638226997 KCFKOUJDHMLNKZ-UHFFFAOYSA-N 436.533 4.719 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H](C(C)C)Cc2cc(OC)ccc21 1639531811 GSUQAUSGOVTMSD-HXUWFJFHSA-N 431.536 4.921 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](CO)c3cccc(Cl)c3Cl)c2)cc1 1640851418 COAWWQUBVOFYGB-NRFANRHFSA-N 441.314 4.907 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCCc1cccc2c1OC(F)(F)O2 1640963602 HWIYBXKGJZJORP-UHFFFAOYSA-N 431.464 4.699 30 10 IJEE C#C[C@H]1CCCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)C1 1643595372 AEYTTWJHSXZCHC-HNNXBMFYSA-N 430.957 4.529 30 10 IJEE CN(CCC#N)C(=O)CCN(C)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 1652665408 IFERKSHTITZSIL-OAQYLSRUSA-N 448.792 4.886 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1Cl 1654573749 HOJZNRCCRHEGEO-UHFFFAOYSA-N 428.863 4.799 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)Cc1cc(Br)ccc1O 1657427674 IENSHEMBZAMKPV-OAHLLOKOSA-N 437.403 4.641 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc3ccc(Br)cc3c2)cc1 1658516527 RCAHOUHBSJLSNU-UHFFFAOYSA-N 438.325 4.840 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cccc(S(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1670826993 RFQGLMAYGGJCPD-IBGZPJMESA-N 440.487 4.616 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1cnn(C2CCOCC2)c1C 1670845715 SNZPGBBTLGRPDS-UHFFFAOYSA-N 435.322 4.514 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)c(C(F)(F)F)c1 1670983102 HXFSWSYGZNHLQB-UHFFFAOYSA-N 442.890 4.874 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 1672210023 OSKHZBWKYMBKQR-PXNSSMCTSA-N 448.336 4.720 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3ccccc3)s2)cc1 1673393980 VMRGQCOMIJQSFC-UHFFFAOYSA-N 441.578 4.543 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1675681233 AVUPTJKYJXCJLU-XMMPIXPASA-N 444.485 4.901 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 1682927842 DCZYJZTYANGZSK-UHFFFAOYSA-N 433.339 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1689829472 YVGCIBKRUQGDRP-PSHVLCQKSA-N 442.579 4.856 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(CC)s1 1690033052 PDEOOGOFPOLOJE-GOSISDBHSA-N 436.556 4.692 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C)C1CCCCC1 1690066884 OOIOGKUZYACXIJ-UHFFFAOYSA-N 431.987 4.852 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@](C)(CC)O1 1690069276 KYXBOBLFXROPID-IERDGZPVSA-N 431.378 4.515 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1690229815 HPHBWSILHLZGFQ-UHFFFAOYSA-N 445.258 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCCO1 1690259737 UTSARULHNFLZIV-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1690377990 XULTWLSBHLDECB-XMMPIXPASA-N 430.600 4.503 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1690426494 PDVBVSKYWKKNLM-OAQYLSRUSA-N 432.616 4.976 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(C)CCCO1 1690518894 YNTJUOMLUNSDIU-GOSISDBHSA-N 425.758 4.552 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2ccccc21)C(C)C 1690581688 WTVXQYWFPLEQEE-XMMPIXPASA-N 428.584 4.733 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1690649647 HMOKQSXMOGBIBI-FQEVSTJZSA-N 438.597 4.907 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)OCC)C1 1690690071 QOTKBLQQPHOVAV-OAQYLSRUSA-N 426.605 4.839 30 10 IJEE C[C@H](COCc1ccccc1)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1692739084 IFGHOQXRPVFQIN-XTJBDQBJSA-N 437.588 4.503 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCN(C)C(=O)OC(C)(C)C 1705478247 YMPLAFJRLYSTNS-CTNGQTDRSA-N 439.604 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1cccc(OC)c1 1705481526 IJGNJJKQORKPDC-QZTJIDSGSA-N 434.609 4.841 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@](F)(C#N)C1 1705508963 ACIOVQCAKNBBKB-HSZRJFAPSA-N 434.544 4.623 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccc(F)cc1 1705525821 VYDCGPXGXPYMGJ-OAHLLOKOSA-N 444.352 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC[C@](C)(CC)O1 1705589321 PBDCQOPCGMKASI-OBTVHEKISA-N 448.611 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCCN1CCCC[C@H]1C 1705670123 JGTGVAFPSJFRCE-QFQXNSOFSA-N 435.616 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1705672646 DRSPXKLUUHELEB-WDZJFXIESA-N 435.616 4.641 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705722151 WTDHKHYEBQSDQQ-HXUWFJFHSA-N 437.632 4.807 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1705726986 VELPOPNTDDYIOB-OFNKIYASSA-N 435.641 4.996 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCOCC1 1705786032 DOFRUPYMFDYQEI-LJQANCHMSA-N 428.577 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(c2cnn(C)c2)CC1 1705790025 GSJMWMOAEKBYRR-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705887045 KEWIAMJCGFYWLV-RBBKRZOGSA-N 436.556 5.000 30 10 IJEE CC(C)c1ccccc1OCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1706267655 BADRYGOWQAFQSE-DHLKQENFSA-N 437.588 4.852 30 10 IJEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](SCC)C1 1722317378 SWNSSBMLXHJKED-SIKLNZKXSA-N 440.613 4.706 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1722322049 IPBQUYHFBMKMKA-WOJBJXKFSA-N 440.613 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)c1ncc(C)s1 1722404228 VQKNXWNIMDBFFB-AWEZNQCLSA-N 429.977 4.635 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(C)CCCS1 1722421254 OLYYAJVSFFEBHP-GAJHUEQPSA-N 444.670 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(F)(F)Br 1722514510 GCFGKYWOSQODCU-UHFFFAOYSA-N 438.320 4.740 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCCC[C@H](SCC)C1 1722533207 LBJDKIGOKHCXOP-QFIPXVFZSA-N 428.646 4.882 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722612832 LKQHZRHDTCITRL-GOSISDBHSA-N 430.980 4.587 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCc2cccnc21 1722633339 SOHVSFSLONDQRQ-GOSISDBHSA-N 438.373 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)c1nc(C)cs1 1722634612 RENISNXMVOUYNP-INIZCTEOSA-N 441.601 4.932 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CC[C@H](C3CCOCC3)C2)nnc1C(C)(C)C)C(C)C 1722668109 ZIIGDIZWMIFORM-GOTSBHOMSA-N 443.680 4.527 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1722668756 ZIRQZZJNKFHBPM-HXUWFJFHSA-N 436.600 4.964 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)C(C)C 1722674771 FYBXHSVLXBNPFY-HSZRJFAPSA-N 446.954 4.973 30 10 IJEE CS[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nccs1)C(C)(C)C 1731045804 AQCUHSMVWIWHLE-QGZVFWFLSA-N 426.615 4.687 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1sc(C)nc1C 1740538036 JQUOALCAKPFIDI-CQSZACIVSA-N 448.621 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H]1CCO[C@@H](C)C1 1740540808 MPYLPZUTWNNKGX-BZSNNMDCSA-N 445.405 4.679 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@H](C)C1 1740575851 QQEDVBTUFYBQNN-FQEVSTJZSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1oc2ccccc2c1C 1740662050 CUSFOJRURYNVMR-UHFFFAOYSA-N 438.329 4.598 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccs1 1740682233 OFYOVRHVSBJKCB-KRWDZBQOSA-N 440.638 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740757990 YNTMVBUXNKVLIP-QUCCMNQESA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)CCC 1740758438 XQNOCBJMFKOQDO-DPLHUUCSSA-N 448.615 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCc1csc(C)n1 1740777027 KKJMLAYCHLCNDJ-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)c2nccs2)CC1 1740818598 OIKVSDYVEQHOHK-DLBZAZTESA-N 427.549 4.974 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740834586 CINQGIJMQMHTQY-UHFFFAOYSA-N 425.577 4.523 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1740845157 GURLOFCODKTJTG-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1740849667 RQJMXQQLOJUIAR-UHFFFAOYSA-N 439.995 4.558 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](COCC)C1 1740997911 DNHYXCROTYYKEL-LJQANCHMSA-N 437.613 4.665 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1 1741517503 FTCGDAFQEKJNKV-SFHVURJKSA-N 444.649 4.545 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC(C)(C)C1 1747897492 AZTRAJZDRLKYEK-UHFFFAOYSA-N 448.640 4.679 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCCCC2)CC1 1748736855 SRHMPMOJXHVPMM-HSZRJFAPSA-N 449.643 4.903 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1748779822 WRHLEMLKGWQJJV-OXJNMPFZSA-N 430.980 4.518 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1749024348 NRVWDHAUWIRBDI-NRFANRHFSA-N 436.581 4.817 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1749029093 JWINDJUXVMOKNM-LJQANCHMSA-N 437.638 4.769 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCOC(F)F 1749053823 MOIPFYWSJOEGBG-FDDCHVKYSA-N 432.515 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC[C@H]1C 1749054035 OECZVELKEGQPNG-NRAIQUKZSA-N 442.991 4.736 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749182394 YEIXOUOZFDIYPJ-UHFFFAOYSA-N 435.616 4.800 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1749210222 DSHYMEWAXOGPIV-GOSISDBHSA-N 432.996 4.526 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1749431298 ZZNRICWPNCFCIS-OALUTQOASA-N 433.641 4.963 30 10 IJEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1749437655 KZEARCXRRFJFFM-OAQYLSRUSA-N 439.585 4.938 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCS1)C1CC1 1749511553 KSRUNGYZIBWFIE-INIZCTEOSA-N 449.418 4.767 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](OC)C(C)C 1749548885 MYHKQFHXRKWEPF-NRFANRHFSA-N 440.569 4.599 30 10 IJEE C=CCn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)s1 1749642605 VISOYTODUVNNKU-UHFFFAOYSA-N 437.338 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCCN1CCC(C)CC1 1760097284 CJDMHTVUXXHDOQ-SFTDATJTSA-N 441.595 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(NC(C)=O)cc1 1760104358 XFBKNNKISLQJOK-QGZVFWFLSA-N 447.608 4.740 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC(C)(C)C(C)C)c1 1760127683 IMJRRBSUEFPHGR-UHFFFAOYSA-N 435.616 4.749 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCSC(C)(C)C1 1760149701 CHYAMPKPDBPJAU-UHFFFAOYSA-N 442.629 4.878 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(COC)CCCCC1 1760198052 VRAAWBUNAODASP-UHFFFAOYSA-N 432.612 4.912 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1Cc1cscc1C(F)(F)F 1760213206 UCEFXVOJFWIAPB-UHFFFAOYSA-N 444.482 4.545 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCCCCC1 1760273946 CVUZUKNTTLBBDX-FQEVSTJZSA-N 442.629 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1cnc(C)s1 1760291121 CAGZOWQZVWMWOE-GOSISDBHSA-N 448.415 4.574 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1760300489 GEDGWGJMOBFYFX-GOSISDBHSA-N 437.357 4.635 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCSC2)CC1 1760406139 UEYOOOXOXYHHBD-HXUWFJFHSA-N 426.630 4.965 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1760406897 OZVTVHHWUQZBKO-UHFFFAOYSA-N 430.641 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1760414836 FEKCOICRSFJUCN-OAQYLSRUSA-N 426.605 4.937 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccccc1Cl 1760468939 NXOUEFIRHOPXAQ-HDICACEKSA-N 445.995 4.567 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1CC1(C)CCOCC1)C1CC1 1760475760 TUAFWYVABVPIDJ-UHFFFAOYSA-N 428.602 4.551 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)N(C)C 1760485781 QBNIKNJRDNKVOO-QHCPKHFHSA-N 444.608 4.897 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccs2)CC1 1760512668 YDHNPVOPMVJUEK-UHFFFAOYSA-N 437.613 4.729 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1760562897 ZBRWSGXBTOXXDQ-INIZCTEOSA-N 430.647 4.728 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)C1 1761542390 HBJLJSNUOFWBHS-BTYIYWSLSA-N 434.371 4.809 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(C)C)CC2)o1 1763930138 BIDZOJGXWYAAKV-UHFFFAOYSA-N 432.572 4.986 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Cl)n2CCc2ccc(Cl)s2)C1 1771528446 AWSSAPSWDDXNNL-LJQANCHMSA-N 436.343 4.998 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)cc1 1772758701 BJUMHVWILOJOPT-RBIGQWDSSA-N 430.533 4.852 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 1772789921 HPYKUORWOCDOGG-UHFFFAOYSA-N 433.363 4.682 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc([N+](=O)[O-])c1 1862417973 BXAGBOYSAYTEPI-LJQANCHMSA-N 430.407 4.642 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862422317 BJEJDRHEUGYSQH-OAQYLSRUSA-N 445.462 4.747 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOC)cc1 1862439068 ICEJBWWJKKDEQO-NRFANRHFSA-N 443.927 4.744 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862467125 JBAVGNOQONRYSK-MRXNPFEDSA-N 429.316 4.721 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2C)c1 1862554409 BUWLJJNJJVPJED-XMMPIXPASA-N 426.516 4.973 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1cccc(O)c1 1862594693 VGORYDVTPIYTDS-NRFANRHFSA-N 436.464 4.602 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862637982 QOAYIQYVGIMOSC-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOC)cc1 1862679465 DOXCGOHUMKWFAG-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE COc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866978108 AREWQAOSCGXTIN-RPBOFIJWSA-N 441.531 4.803 30 10 IJEE CC(C)COc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)cc1 1870112354 ZQDNONCSZNXRGA-UHFFFAOYSA-N 444.322 4.792 30 10 IJEE C#CCOc1cn(CCc2ccc(OCC)c(OCC)c2)c(CSC(C)(C)C)cc1=O 1870300644 OJBHWDMUDLELNA-UHFFFAOYSA-N 443.609 4.932 30 10 IJEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(OC)c(OC)c1 1871266393 AURIPJMUZSCUQE-UHFFFAOYSA-N 446.588 4.599 30 10 IJEE Cc1c(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc2c1O/C(=C\c1cccs1)C2=O 1871436440 ZAJZBYYFSLYKQU-OFNOZLENSA-N 430.485 4.950 30 10 IJEE Cc1c(OCC(=O)Nc2c(F)cccc2F)ccc2c1O/C(=C\c1cccs1)C2=O 1871441044 VDYCFTVGCYRVQT-ZDLGFXPLSA-N 427.428 4.968 30 10 IJEE CCCCCCCCN=c1nc(N(C)CCCC)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616872 ZLBKIUBKOUXMPF-UHFFFAOYSA-N 427.641 4.534 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1871888776 DHCALCIRVKFQGS-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1872018738 OBRNETOJRWNHIT-NRFANRHFSA-N 432.561 4.717 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CCC 1872114304 DDCGYXUUQBUAJM-INIZCTEOSA-N 440.915 4.694 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCC 1872280769 FOVFVYYWVWKCHJ-QHCPKHFHSA-N 428.598 4.612 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)CCCC 1872331533 PSKLCSQDCVNYQL-QHCPKHFHSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccccc1 1872422733 JLJYAGBJAOMXFW-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872466872 STOQEMNDHAXNRU-HRAATJIYSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872559965 SAFCRABLSPOSJN-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CC1=O 1873006510 IZGVUBAVAJHKCN-IBGZPJMESA-N 443.563 4.882 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(=O)OCCCC)=C(c2ccc(Cl)cc2)C1=O 1873357740 ZTCMTAVOGHALBO-UHFFFAOYSA-N 438.911 4.675 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cc(OC)ccc1OC 1874279974 XBYAXPIDRSOLKA-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874298721 OMLLLBIIIOKFBB-UFFVCSGVSA-N 431.905 4.640 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)c1 1874309959 XDSGXNZXJPRLTD-JVWAILMASA-N 447.539 4.781 30 10 IJEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccnc2)c1 1874353784 AUXSINVOGCJVHG-CVKSISIWSA-N 429.549 4.873 30 10 IJEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccn2C)c1 1874354113 RPYLVWNSKMSWRR-MFKUBSTISA-N 431.565 4.816 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874380610 BFYJJASSZIQHDX-LPYMAVHISA-N 431.334 4.931 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1ccccc1Cl)Nc1ccc(F)cc1 1874493761 CPYIWXANQDICHC-WYMPLXKRSA-N 443.935 4.951 30 10 IJEE Cc1ccc(CCc2nnc(S)n2/N=C/c2cccc(OC(=O)c3ccco3)c2)cc1C 1874564574 KMUTZIKHJKRIMP-MFKUBSTISA-N 446.532 4.663 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1874625102 LVZHPZPNYBVMJB-VZUCSPMQSA-N 428.460 4.657 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H](C)c2ccc(Br)cc2)c1 1891141840 YJRCHOHUZWJGCL-SFHVURJKSA-N 443.385 4.597 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2020336341 MDTCFCAVDHBWFE-IBGZPJMESA-N 437.625 4.759 30 10 IJEE CC[C@@H](c1ccc(C)cc1C)n1nc(C(F)(F)F)c(C#N)c1I 2079078107 KJWKHFBZEUPXBX-ZDUSSCGKSA-N 433.215 4.994 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCOCCC1(F)F 2097094431 GYHDQQJBWUHYLO-QGZVFWFLSA-N 431.277 4.899 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNc2ccc(C#N)c(Br)c2F)C1 2105993887 ANABYYGAZGVXFD-SFHVURJKSA-N 430.293 4.611 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)cc2OC)C1 2231179096 ZFAWQKKZCAPMFQ-KRWDZBQOSA-N 425.367 4.722 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2242571421 IMXTWQHROUCNKC-NRFANRHFSA-N 443.385 4.826 30 10 IJEE Cc1nc(C(=O)N(Cc2ccccc2)C2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255809698 BTDHQOQLWSVFRE-UHFFFAOYSA-N 440.418 4.726 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)c2ccccc21 2267502508 OUOMXEFHNVXCFZ-KRWDZBQOSA-N 442.365 4.616 30 10 IJEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2267610970 MOHGHYZXGDRBPV-INIZCTEOSA-N 441.327 4.705 30 10 IJEE COCCCCN(Cc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2285397042 BUQOFWLXSGDEBI-UHFFFAOYSA-N 446.400 4.967 30 10 IJEE CN(c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)C1CC(OCc2ccccc2)C1 2285397378 GEEKQOCBDXBWES-UHFFFAOYSA-N 444.384 4.718 30 10 IJEE CC1(C)OB(c2ccc3nccc(N4CCC[C@H](OCc5ccccc5)C4)c3c2)OC1(C)C 2285398256 PKVVYBTUPLOHHT-QFIPXVFZSA-N 444.384 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(Cc3ccc(Br)cc3C#N)[C@H]2C1 2290211411 YJTZAHZSCDALAL-KXBFYZLASA-N 434.378 4.542 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](C(=O)C#Cc1ccc(Br)cc1)C2 2296227459 OUWHKJZWKJLUSE-JENIJYKNSA-N 432.358 4.653 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)C#Cc3ccc(Br)cc3)CCCC[C@@H]12 2296274183 SKNXQHAXZSFCFG-GCJKJVERSA-N 432.358 4.940 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)c1cnc(NC(=O)OC(C)(C)C)o1 2296288526 IEVUUZDLXFNNNC-INIZCTEOSA-N 434.334 4.877 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@@H](C#N)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2306793552 SFIILGOQRGXGSS-CKJXQJPGSA-N 434.541 4.606 30 10 IJEE C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1(NC(=O)OC(C)(C)C)CC1 2317352624 BAYBOSHGESNFRK-UKYUDJEDSA-N 430.354 4.551 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(COC(=O)C=Cc3ccc(Cl)cc3Cl)CC2)c1 2321168633 XVDYMIANYFNAIT-UHFFFAOYSA-N 443.330 4.974 30 10 IJEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc(OC)cc2)C4)cc1 2321946982 LCCFHUIFHLLZFX-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CCCOc2ccccc2)ccc1OC(C)C 2322060432 YAKYDXIYXIZGQI-UHFFFAOYSA-N 440.569 4.647 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2Cl)C3=O)C1 2322401753 MDZLSEILVVZSEF-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)NCc1ccco1 2323812788 ITHJVZJAGVKHDC-UHFFFAOYSA-N 439.895 4.923 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329851278 XZRAFKRBUYYAFB-UHFFFAOYSA-N 440.544 4.964 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2)n1N=Cc1cccc(Cl)c1 2330217480 XJHBLOCIENCKMR-UHFFFAOYSA-N 442.972 4.644 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CCCC1 2331071666 DBDSTTYALRJAOO-UHFFFAOYSA-N 439.464 4.994 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331539931 DGLGZHUGQGSNQE-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCCO)nnc2C(C)C)cc1OCC 2331707324 PFVAWXIQCKSZDY-UHFFFAOYSA-N 434.606 4.726 30 10 IJEE C=CCN(CC[C@@H](O)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2337573030 MXSTVHDPEDNKIL-GOSISDBHSA-N 426.351 4.837 30 10 IJEE Cc1cc(C)c(C#N)c(Oc2cc(Br)cc(I)c2)n1 2338671675 FTAUJRXGFXJVPJ-UHFFFAOYSA-N 429.055 4.730 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)C#Cc3ccc(Br)cc3)C[C@H]21 2360195184 ZDEQGHCJFLPYCM-QSNWEANLSA-N 430.342 4.548 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2cc(C)[nH]c2C)=C(/S)NCc2ccc(OC)cc2)cc1 23603030 BYGWJZYRQXPJRQ-UHFFFAOYSA-O 436.601 4.609 30 10 IJEE Cc1nc(-c2ccccc2)c(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 27750179 ATOIYKPXFWDRRP-GFCCVEGCSA-N 437.546 4.724 30 10 IJEE CC1CCN(S(=O)(=O)c2ccc(-c3csc(N/N=C/c4ccccc4)n3)cc2)CC1 33790113 ZGCOEKBYNLIKSL-HZHRSRAPSA-N 440.594 4.677 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(F)cc3)ccc2O1 35023746 PYVSGFRRBFOTBX-FPTDNZKUSA-N 433.435 4.521 30 10 IJEE Cc1ccc(/C=C2\Oc3c(CN4CCN(c5ccccc5)CC4)c(O)cc(C)c3C2=O)cc1 41585071 AZPPYSQWEROMMI-UQQQWYQISA-N 440.543 4.947 30 10 IJEE CCCOc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)cc1OCC 97998932 ARQVIILQGSBDHY-QXFGJRORSA-N 442.556 4.504 30 10 IJEE COc1cccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)c1OC 103159923 VTTBXPYVNMIJGU-SRZZPIQSSA-N 433.460 4.574 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(OCc3ccccc3F)c(OC)c2)C(C(C)=O)=C1C 169930393 IXQIVODVDWPHEH-HSZRJFAPSA-N 442.556 4.918 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1CCCOC(C)C 169948346 OQTVMMHVQLVEPR-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 169949787 KKJZUFKKGGDAEY-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2cccs2)c1 169988971 NFVBGKURPFMEAL-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170009942 VSGPBMZNIBTMNT-LJQANCHMSA-N 441.270 4.877 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)c1 170049649 HVTZRFRHJSGKBQ-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(N(C)C)cc1 170129334 VDJUXUJNRSMBDP-HSZRJFAPSA-N 436.552 4.837 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)cc1 170145048 XMKOHTGMINUZHF-XMMPIXPASA-N 442.515 4.957 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccn1 170168956 LIKGDWDILVKLSL-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)cc1 170175553 JUOHWRQGCCMCOA-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccnc1 170184047 ZPQXYSCTRSETEB-OAQYLSRUSA-N 432.451 4.629 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)cc1C 170202397 KSSXSKZXRDNVPD-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)N(C)CCO3)=C(O)C(=O)N1c1ccccc1 170272147 VXIDKAAGQFIFTA-XMMPIXPASA-N 440.499 4.607 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1C 170277685 XXXGJTIODVNBLY-RUZDIDTESA-N 446.591 4.794 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](c2ccccc2)c2ccco2)nnc1-c1ccco1 486885449 KKFALGRNUXUNHE-OAQYLSRUSA-N 434.521 4.705 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508862537 FEPVXGMNTGYNKZ-KRWDZBQOSA-N 441.626 4.914 30 10 IJEE O=C(c1ncccc1OCC(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 512403765 FFEHMSMKSCUMLQ-KRWDZBQOSA-N 436.327 4.752 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(O)nc2ccc(Br)cc12 523104264 FOFHJQPCUHOQPT-UHFFFAOYSA-N 426.270 4.614 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)cc1OC 526488765 MUSGUVJSQPFYIN-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2/N=C\c2c(C)[nH]c3ccccc23)o1 526830041 MVGYPAJXNNRBOH-FMCGGJTJSA-N 437.525 4.574 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 532126135 VWECGAAKCAZBTL-QGZVFWFLSA-N 445.629 4.661 30 10 IJEE COc1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)cc(OC)c1 572172176 JDOXDDOZSPEJHT-UHFFFAOYSA-N 445.548 4.580 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)OCc3ccccc3)CC2)cc1 586510223 PTYFTUKCRDXEOX-UHFFFAOYSA-N 445.581 4.927 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C2CC2)c1 590722408 IDPIUXINIJMXGH-OAQYLSRUSA-N 444.984 4.736 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 609385211 DBBLBWMYKZWWDY-UXHICEINSA-N 448.636 4.792 30 10 IJEE N#CCc1ccc(F)cc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687733862 LYCKXOAAXPOQRW-XMMPIXPASA-N 444.462 4.946 30 10 IJEE Brc1ccc(NN=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)nc1 727266536 XWHLHZQAAHRIGW-UHFFFAOYSA-N 433.313 4.597 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)COc2ccc(Cl)c(Cl)c2)cc1 744690600 LPKQBDQMXDSLGZ-OAHLLOKOSA-N 435.307 4.559 30 10 IJEE COc1ccc(-n2c(-c3ccccc3OC)nn(CN3CCC(C)(C#N)CC3)c2=S)cc1 779879367 LWUPKGLRHNZHSI-UHFFFAOYSA-N 449.580 4.671 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1Cl 799218245 AVBDDEACHUNHSP-SFHVURJKSA-N 429.929 4.523 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(I)cc1F)c1ccc(F)c(F)c1 1128248792 HSSWKZBPXGWGFG-MRXNPFEDSA-N 431.195 4.756 30 10 IJEE COc1ccc([C@H](C)NC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(C)c1OC 1129491113 BVYXUECQBBDSCX-SFHVURJKSA-N 430.504 4.954 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccc(C)c(C)c2)CCOCC1)c1ccc(Br)cc1 1129730409 HDWAEIXZUSTMCZ-NRFANRHFSA-N 426.354 4.605 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(Br)cc(N2CCCC2)c1 1142000191 LSSCVNVMYQJLLY-UHFFFAOYSA-N 429.358 4.886 30 10 IJEE C#CCCOc1ccc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)cc1 1144710421 CPQOVMADLHZWIU-UHFFFAOYSA-N 439.918 4.810 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccccc1 1158670173 OPODCKNBPYUZMW-HZAQMHFWSA-N 426.538 4.765 30 10 IJEE C#CCCOc1ccc(CN[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)cc1 1179659019 QMQLIDGXWAOIPD-KICRTILUSA-N 434.580 4.803 30 10 IJEE N#Cc1cccc(Br)c1N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 1186183922 HMDUGSYZMLOZHX-UHFFFAOYSA-N 441.247 4.707 30 10 IJEE C#Cc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)c1 1202811650 IHBLSUITIBWNHI-UHFFFAOYSA-N 437.543 4.887 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)c2ccccc2Cl)cc1 1209927325 HWBFESBNRMVRHT-OAQYLSRUSA-N 447.343 4.942 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1 1214291857 GKMBKRUVMYOAPT-QFIPXVFZSA-N 429.586 4.935 30 10 IJEE C=CCCCCCCCNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 1217654135 XXUQAPXYPBJBGX-UHFFFAOYSA-N 431.274 4.848 30 10 IJEE CN(Cc1ccccc1)[C@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CC1 1222119702 DPSQFYQVTPNSGZ-XMMPIXPASA-N 444.604 4.997 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1234554606 BXDJOPNPQNPLGA-WAOWUJCRSA-N 448.897 4.834 30 10 IJEE C#CCN(C(=O)NC[C@H]1CC(C)(C)OC1(C)C)[C@@H]1CCOc2ccc(Br)cc21 1255813541 PTLVVXRENBUIQS-CRAIPNDOSA-N 449.389 4.511 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(-c2cccc(Cl)c2F)no1 1264281114 TUDOEQRHCYWQOQ-UHFFFAOYSA-N 445.830 4.877 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(COC)CC1 1286316035 FWAAWSFRJSWJND-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@@H]1CCO[C@@H](C)C1 1286457649 BIWNBEFLLQAFTE-VQTJNVASSA-N 426.580 4.851 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC1CCC(OC)CC1 1286517213 RQGBODGLFPRLHM-MCSCQSGASA-N 427.980 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC)nc1 1286518414 UIWRTVVEOHOLIZ-AREMUKBSSA-N 429.568 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)CCOc1ccc(Cl)cc1 1286547333 OHYVRXDWRDZKDQ-OPYAIIAOSA-N 432.996 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286560727 IKBHKIHXEZGYJL-NYUBLWNDSA-N 430.980 4.583 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286695191 QGFFZFBESOVFNS-OALUTQOASA-N 431.378 4.822 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(C(C)(C)C)CC1 1286700926 OSXOVELTOLEUTB-UHFFFAOYSA-N 434.588 4.877 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOc1ncccc1Cl 1286713332 DQLZXAOFYMKSMU-HNNXBMFYSA-N 448.354 4.821 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCCCC1 1286749385 QOTSFEZICWYUDC-NHCUHLMSSA-N 443.661 4.548 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(CCC(C)(C)C)CC1 1286796317 JIHONJLNBYTCNG-OAQYLSRUSA-N 439.648 4.963 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCOC1)c1cccnc1 1287155114 AEKWAGKZSPQNQK-ZJSXRUAMSA-N 444.583 4.514 30 10 IJEE C=CCn1c(SCC(=O)Nc2cncc(C(F)F)c2)nnc1-c1ccc(Cl)cc1 1288114771 GBVZTYFCOPCTGM-UHFFFAOYSA-N 435.887 4.848 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(C)(C)C1CC1 1288943852 BHESKOCRVCKJTP-UZLBHIALSA-N 443.979 4.627 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 1290026471 FRPDBKYDNOAPGI-UHFFFAOYSA-N 445.950 4.749 30 10 IJEE C#C[C@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)c1ccc(Br)cc1 1298541475 IJFZEEBIBMKTGD-QFIPXVFZSA-N 435.321 4.773 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 1299876003 VKGVLWPCDWWHFI-PBHICJAKSA-N 427.463 4.710 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1300443749 LIITYRJUKVQRPV-GOSISDBHSA-N 439.604 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301160718 WECQFWYFTPPCGD-NRFANRHFSA-N 442.604 4.719 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](CCOC)C1 1301176640 HCUHXUJRXALKAW-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1301194625 MJCDQIVNRZYVMH-UHFFFAOYSA-N 426.590 4.714 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1301201941 BNWYSTDXCZYUHC-HNNXBMFYSA-N 432.931 4.547 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1301211961 PKIWVRVPSQMLMJ-IBGZPJMESA-N 425.577 4.713 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@]1(C)OCCc2sccc21 1301403083 UTQQVRZEKHFHOZ-XMMPIXPASA-N 440.613 4.953 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CC2(C)C)C1 1301541653 AYJAFCKCWKJAGN-ROUUACIJSA-N 445.405 4.843 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2oc(CCC)nc2C)C1 1301544938 BAHZINYKTZPJIF-QGZVFWFLSA-N 441.963 4.677 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCCN2CC(F)(F)F)cc1 1303405757 FCWYMDLHHZNUSS-SFHVURJKSA-N 433.499 4.607 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1305347257 AFDWNWJDGQVYAZ-CYFREDJKSA-N 442.567 4.567 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1306272843 CHMHGVTXVWCJIZ-GKAYAJSDSA-N 437.588 4.557 30 10 IJEE CC[C@H](Cc1ccccc1)N(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1307573431 HEHIGUJHDOQDSQ-JOCHJYFZSA-N 432.568 4.900 30 10 IJEE C#CCOc1cccc(Cl)c1CNCCCOc1ncc(C(F)(F)F)cc1Cl 1308358808 BXLYYULIVYNVAW-UHFFFAOYSA-N 433.257 4.978 30 10 IJEE C=CCC[C@H](NCc1c(Br)cc(F)c(F)c1N1CCCCC1)C(=O)OCC 1308770026 QATCZWMYCNAPBG-KRWDZBQOSA-N 445.348 4.705 30 10 IJEE C=C(CNS(=O)(=O)c1cc(Br)c(C)cc1Br)c1ccccc1 1309557276 ALQIAVONHAWZKH-UHFFFAOYSA-N 445.176 4.512 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)n1 1310469644 FYBQSYCQNDVUNG-UHFFFAOYSA-N 439.813 4.710 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 1350032308 GJGLHDMHAFGIOZ-AREMUKBSSA-N 433.552 4.592 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CCCN1C(=O)OC(C)(C)C 1355562943 HBVKCHSTENMOTF-DFBJGRDBSA-N 444.572 4.919 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1358907212 HTBVJMRJDAVAEZ-JKSUJKDBSA-N 449.418 4.578 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1358918156 MKUOYKFQDKNUIC-UMEGOILYSA-N 430.637 4.642 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1358923355 KYFKPHDFFMDNLI-QFBILLFUSA-N 434.506 4.812 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCC1(COC)CCCC1 1359005590 OFFPBIYFSRDUJR-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](F)c1ccc(Br)cc1 1359007646 PUJTVUUJUYUAOC-SFHVURJKSA-N 442.336 4.581 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1359080694 ALOCYVGMDAEOOD-SFHVURJKSA-N 425.758 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(CC#N)CC1 1359102983 IFEDONCXCSLHQB-DHLKQENFSA-N 449.599 4.531 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1359144986 BDZRIEFREOVECJ-KRWDZBQOSA-N 428.886 4.808 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCCOC2)CC1 1359175314 HLVWSKDQYXBMHJ-QGZVFWFLSA-N 431.378 4.537 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1359181302 NNLJVZUCRWVHMV-RDGATRHJSA-N 438.616 4.937 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@](C)(OC)C1 1359186665 OREJQOOUNFNGHD-VWLOTQADSA-N 434.588 4.738 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1359220045 MJXULTRJETYZMW-HXUWFJFHSA-N 429.996 4.541 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCSC 1359220507 BDXSCKUYSDDADB-ROUUACIJSA-N 437.654 4.894 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1359246535 DSHFGVZNWHXWDU-OSPHWJPCSA-N 428.552 4.653 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)C(C)(C)C)C1CC1 1359247465 CRAISPBVKVVZTK-HNNXBMFYSA-N 439.423 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@@H]1C 1359262130 ITIPHQOBQBKDNN-KRWDZBQOSA-N 443.020 4.732 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CCN1CCC[C@@H]1C 1359262936 KHPXYYSMAZBKOQ-IBGZPJMESA-N 437.613 4.692 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC[C@@H](F)C1 1359277532 OOGFECYWCZMLNU-UYAOXDASSA-N 426.511 4.974 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](CC)Cc2ccc(Cl)cc2)nnc1-c1ccco1 1360090958 YJGYMAWKURDHLH-SFHVURJKSA-N 444.988 4.997 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)CCc2ccc(Br)cc2)cc1OC 1360091023 AZBNPSCSJATHJX-WQLSENKSSA-N 430.342 4.737 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1 1434892025 UUCCFNIOTNQJPB-QHCPKHFHSA-N 440.609 4.618 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 1435690703 CULUTLDEAJAJNY-XOBRGWDASA-N 434.330 4.529 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1437621957 MGCVDHCVQUXXCI-UGKGYDQZSA-N 427.566 4.936 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1 1443250014 FEZMXNOBWBMCPT-LJQANCHMSA-N 438.572 4.723 30 10 IJEE C=CCC(F)(F)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1454596156 RNMRTRHXQWMFRD-ZDUSSCGKSA-N 430.289 4.823 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H]1CCN(c2ccc(C)cc2)C1=O 1458998909 IUGZLQIFOIWYTN-NRFANRHFSA-N 434.565 4.558 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 1466315698 RKVGSTYWUJHKFM-TZIWHRDSSA-N 445.485 4.874 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCCC3)CCO2)c1 1466608591 BYPUTCLGWLAENC-OAQYLSRUSA-N 439.353 4.733 30 10 IJEE CC[C@@H](CC#N)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1466681804 FAYDWTZRRGRLRD-XFAGBWLFSA-N 433.552 4.748 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1)C(=O)OCC 1468125107 JWTUSSBEJHTLII-QHCPKHFHSA-N 431.536 4.784 30 10 IJEE C#CCN(C(=O)NCc1ccncc1OCc1ccccc1)[C@@H]1CCCc2ccccc21 1470118108 ATADCNOWYFCZPO-RUZDIDTESA-N 425.532 4.883 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 1470425052 JSNGGLBYTXMAMW-UHFFFAOYSA-N 426.388 4.987 30 10 IJEE C#CCN(CC(=O)Nc1cccc(-c2cccc(Br)c2)c1)C(=O)OC(C)(C)C 1472031000 CHVLZFYQGYVXEQ-UHFFFAOYSA-N 443.341 4.925 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 1475900219 MKRMSTTZGUNJCZ-CALCHBBNSA-N 431.577 4.831 30 10 IJEE C=CCSCCNC(=O)N1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1478416892 BFONJMFKLRYDEO-ICSRJNTNSA-N 439.666 4.801 30 10 IJEE COC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@@H](C)CC#N)CCC(C)CC1 1504053595 DOKKTNNVCQUZNJ-BAMNPNLJSA-N 439.604 4.808 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1507574889 DCAVKFZEOWQNSP-FQEVSTJZSA-N 446.780 4.904 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N[C@H](C)CC 1507761632 IHNOZYGYEAZRNR-NIYFSFCBSA-N 435.616 4.540 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCO1 1507765297 RHSYBPUXROOXAG-DHJUGAMNSA-N 428.964 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cscc1C(F)(F)F 1507809463 VDUNZLPJQABOQN-UHFFFAOYSA-N 443.539 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC1(C)C 1507815464 HGUZFHNBMVXBNI-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C)=C(Br)C1 1507828675 AUONQWOMFKTPST-UHFFFAOYSA-N 426.362 4.892 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CC#N)CC1 1507858428 CUWRZTKXUZBOCO-UHFFFAOYSA-N 426.771 4.652 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1507915229 AJAPMUKZAMVTLK-HSZRJFAPSA-N 437.632 4.753 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC(C)(C)C1 1507926401 FLZCOCPUECQSGC-UHFFFAOYSA-N 433.394 4.988 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1ccnc(C(F)(F)F)c1 1508002702 LZCDBCRIBURCHC-LJQANCHMSA-N 443.473 4.784 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1Cc1ccsc1Br 1508003029 QTQUBMPVPVBLBJ-UHFFFAOYSA-N 447.402 4.880 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1508005963 CYVSPJPWXKIRFN-RTBURBONSA-N 431.650 4.543 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1Cc1ncc(CC)s1 1508024896 NLEHRGVDPMODGT-UHFFFAOYSA-N 430.581 4.642 30 10 IJEE C=CCN(C(=O)c1cc(C)cc(Br)c1F)[C@@H](Cc1ccccc1)C(=O)OCC 1516155453 KJAAMSBPVAZHGY-IBGZPJMESA-N 448.332 4.699 30 10 IJEE C#CC[C@]1(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1516521269 YSTYVQXHLKLQTJ-OAQYLSRUSA-N 425.356 4.745 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C#N)cs2)[C@@H](c2cccc(Cl)c2)C1 1518966483 DWRUGXHMMCLRBW-QGZVFWFLSA-N 431.945 4.707 30 10 IJEE C=CC[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)c1ccc(Cl)c(Cl)c1 1519080954 HIPFWYIFXVQGPD-HNNXBMFYSA-N 432.325 4.619 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C3CC3)nc3onc(CCC)c23)cc(OC)c1OC 1528659552 BFMXUKLPXOJUII-UHFFFAOYSA-N 435.524 4.728 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccc(OC)cc3)cn2)ccc1OC 1529280106 GCFAJIADMWLNFK-SFHVURJKSA-N 447.491 4.502 30 10 IJEE C#CCN(C(=O)CCOc1cc(C)cc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1529627732 WLJCZDASZOOBEX-NRFANRHFSA-N 442.353 4.820 30 10 IJEE C#Cc1cccc(N(C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)C(C)C)c1 1529908306 BRIBIKPIJUCEBU-HSZRJFAPSA-N 436.552 4.554 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)ccc1F 1532931714 BYWSOYZGGOMWCK-UHFFFAOYSA-N 440.496 4.643 30 10 IJEE C#CCOc1ccc(C(=O)Oc2cc(C(C)(C)C)ccc2I)cc1 1536961588 ZPUZFKNXQZTKAV-UHFFFAOYSA-N 434.273 4.820 30 10 IJEE COc1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)ccc1OC(F)F 1537032864 CFIVJHJPJGRCLM-GFCCVEGCSA-N 428.357 4.870 30 10 IJEE C#CCN(C(=O)[C@H](C)OCc1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1538199509 UKTZBCRYFKKWDI-LAUBAEHRSA-N 442.353 4.648 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccccc1 1539186227 NDNHKETWDZFTKZ-IIMAJNMQSA-N 428.554 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC(C)C)C(C)C 1539620471 LKGGZCSLEXLXPT-XXBNENTESA-N 442.604 4.814 30 10 IJEE C=C(C)Cn1c(N(C)Cc2ccc(C)s2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733521 CGEPCPJHQAVRBU-CALCHBBNSA-N 431.606 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@H](CC)C1 1539906018 HKKWMYOTTSXRLT-HXUWFJFHSA-N 430.618 4.896 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCn2cc(C)nc21 1540087742 AHVPFHKNPCEQQQ-QGZVFWFLSA-N 443.020 4.929 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1Cc2ccccc2[C@H]1C)C(C)C 1540151045 CAMPWRODEPAZOC-YKSBVNFPSA-N 443.599 4.515 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C1CCCCC1 1540863815 GGUAFSWCDPERNW-UHFFFAOYSA-N 444.004 4.884 30 10 IJEE CC(C)(CN1CCCC1)Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1541243011 BVNQEZYKHDVYAH-UHFFFAOYSA-N 446.643 4.863 30 10 IJEE CC(F)(F)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(CC#N)CC2)cc1 1541893825 CDZGANRDWPXSLQ-UHFFFAOYSA-N 436.510 4.554 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 1542229406 VKPARJYWFBDHAZ-UHFFFAOYSA-N 438.543 4.990 30 10 IJEE CCC(CC)CN(CCC#N)C(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 1543034402 DSPIXMJMEHPULQ-NRFANRHFSA-N 449.595 4.879 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1(C)C 1544330977 BDZQAFPIEXYVIN-GHTZIAJQSA-N 432.572 4.585 30 10 IJEE CC[C@H]1CN(c2ccc(C#N)c(Br)c2F)CC[C@H]1NC(=O)OC(C)(C)C 1559158590 BZRHWFOVZPGMCJ-GXTWGEPZSA-N 426.330 4.589 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nccn1-c1ccc(N(C)C)cc1 1559395156 JJOIRFSDPJMQIF-KRWDZBQOSA-N 426.611 4.695 30 10 IJEE C=CCC1(CNC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)CCCC1 1564748121 TWYHQGZUSYSBOF-LEWJYISDSA-N 427.589 4.825 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1565063565 PKZQIRSKXOERTJ-NVXWUHKLSA-N 440.466 4.580 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1566675941 PNKUNOMTHRALQP-PMACEKPBSA-N 439.499 4.657 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 1569258343 XDTMXNAIWYXRLC-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE C#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(OCC)cc2)cc1 1586090351 WHTHJFHAYPGFJW-UHFFFAOYSA-N 444.516 4.638 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1587834726 DUNPBSVMKGMMLH-GASCZTMLSA-N 437.332 4.849 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ncc(CC)s1 1587834909 IUFWULOGQRBAGU-UHFFFAOYSA-N 444.402 4.776 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[C@@H]1CC 1589162825 GIFVJEITZRLJFW-PNLZDCPESA-N 444.421 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[C@H]1CC 1589164444 USCXGLZQUQKYIR-WHSLLNHNSA-N 430.394 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCOCC 1589171360 CBTIUWVOBYCFAV-HOYKHHGWSA-N 426.630 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CN3CCC(C)CC3)C2)nnc1C(C)(C)C 1589577150 ADQSBTFWEMLGFP-ZLNRFVROSA-N 443.680 4.505 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1594090604 MHMQKLNDCMSUNA-NHCUHLMSSA-N 429.634 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)CC1 1594529308 SFTOCWLHVLNDKT-UHFFFAOYSA-N 425.621 4.546 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1594581848 DCLSOXZLWNFLBT-UHFFFAOYSA-N 429.471 4.556 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1594693075 OWCREEQRMKKBBB-OAQYLSRUSA-N 431.378 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1Cc1ccc(OC)nc1 1595161650 GZDLMMSBJGNUDP-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCO1 1595165537 JOVPKGSNHFMWFJ-DEOSSOPVSA-N 449.580 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCOC(C)(C)C 1595190504 CVEQPLISPDOKAA-UHFFFAOYSA-N 449.393 4.710 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1595243634 CTFFNZYONOSPQR-KNQAVFIVSA-N 425.602 4.559 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1595658525 FZXWEFYLYQJKPK-JOCHJYFZSA-N 437.632 4.544 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1595860438 OTPLXLAWPWFIGB-WOJBJXKFSA-N 427.643 4.846 30 10 IJEE C#CCOCSc1nc2sc3c(c2c(=O)n1CCc1ccc(F)cc1)CC[C@H](C)C3 1613335508 RBIVKKFNRXVACB-HNNXBMFYSA-N 442.581 4.664 30 10 IJEE C=CCn1c(SCC[C@@](C#N)(C(C)=O)c2ccccc2)nnc1-c1cccc(OC)c1 1613596455 DVWIRMULQFCHKU-XMMPIXPASA-N 432.549 4.672 30 10 IJEE C#CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 1616657909 GSSQZIAJVGQQNV-UHFFFAOYSA-N 440.528 4.677 30 10 IJEE COC1(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1619046082 BOPBUVNPKNJPBW-XMMPIXPASA-N 437.588 4.563 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C2CC2)cs1 1620260896 BZCBHWUDYCRORG-OAHLLOKOSA-N 438.626 4.777 30 10 IJEE C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1621247335 ABDCVYGLXFGMMA-VLIAUNLRSA-N 435.877 4.947 30 10 IJEE CN(Cc1ccccc1OCc1ccccc1)S(=O)(=O)c1cc(C#N)ccc1Cl 1622447535 DNKIFSOAAKLIOI-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccnc1N1CCOCC1)c1ccc(C(F)(F)F)cc1 1622962925 CNAHVDFJPPKNQS-SFHVURJKSA-N 434.462 4.766 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1624973607 GIZHHTOZDWUVHK-QAPCUYQASA-N 430.549 4.645 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)CCc3ccc(OC(C)C)cc3)n[nH]2)c1C 1626240504 GGRYSCLJFFHTFQ-KRWDZBQOSA-N 435.572 4.614 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12 1627479173 LLLHDQNYATZSOY-HIFRSBDPSA-N 449.349 4.530 30 10 IJEE CCCOc1ccc(C(=O)CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 1630727025 CIQJDFJRUPNIDT-UHFFFAOYSA-N 428.488 4.946 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1633640858 IWHQJTLWBFQAMZ-DAYGRLMNSA-N 435.362 4.725 30 10 IJEE C=CCn1c(S[C@@H](CC(C)C)C(=O)OCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640556174 MMPGVZKVFZOADH-YOEHRIQHSA-N 434.627 4.839 30 10 IJEE C=CCN(CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1cc(Br)ccc1F 1641674811 DESBINRLSOITGT-UHFFFAOYSA-N 448.336 4.541 30 10 IJEE C=CCN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)OCC 1645290911 NBFCKFIMCKSKPK-FQEVSTJZSA-N 447.329 4.520 30 10 IJEE C=CCOc1c(Br)cc(CNCCC(C)(C)C(=O)OC(C)(C)C)cc1OC 1651239234 KTTLQDWJJODCKC-UHFFFAOYSA-N 442.394 4.870 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCCOc1ccccc1Br 1651848173 KOTCIXKMTMQPRN-UHFFFAOYSA-N 446.370 4.977 30 10 IJEE CCCN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1655109968 YGWACSGOXHBQAL-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1c1nccc(Oc2cccc(C#N)c2)n1 1655595398 CYDDIZCRGOIYCA-GOSISDBHSA-N 449.555 4.756 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCC1=CCN(C(=O)OC(C)(C)C)CC1 1657297524 ACCHPPOLRMCCLK-UHFFFAOYSA-N 449.389 4.508 30 10 IJEE Cc1ccc(N2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)CC2)c(C)c1 1659477549 FUPAOWVEIBYDFA-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(C)CCOc1ccc(OCc2ccccc2)cc1 1659596670 IQMBNGBFCJOBTN-UHFFFAOYSA-N 448.494 4.959 30 10 IJEE CCOc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 1659849358 ARRDFBXIUODWQJ-UHFFFAOYSA-N 426.460 4.575 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 1662025476 DGDIHNBKWISRCK-QGZVFWFLSA-N 447.944 4.830 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)c1ccccc1 1663909993 NSXLJJYZEPXLRK-GOSISDBHSA-N 426.460 4.563 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@](O)(CC)CCC(F)(F)F 1678355843 GKQUSWUYZZYPAU-INIZCTEOSA-N 439.272 4.619 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCC(Oc2ccccc2I)CC1 1680750352 GIYSGDZLENSLHH-OAHLLOKOSA-N 442.341 4.589 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1ccc(F)c(F)c1 1681783316 IQHLUSCYAQKSTJ-AUSIDOKSSA-N 434.490 4.896 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 1683512518 MKKBZWHHEULYNV-KRWDZBQOSA-N 426.141 4.972 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN(C(C)C)C1 1689828149 LIOMONAEBRAEKW-SLFFLAALSA-N 444.023 4.650 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1689897676 DXEVCEWGKWSYGR-GOSISDBHSA-N 448.521 4.796 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCc2cccnc21 1690059657 VCXGZSKLTZWVMU-AZUAARDMSA-N 433.531 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1690258711 QPNQMTQFFYZDCL-NTKDMRAZSA-N 440.592 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccccc1-n1nc(C)cc1C 1690261725 XSCZWVKWVKLDHI-UHFFFAOYSA-N 427.556 4.593 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)c1nc(C)cs1 1690271031 AZAPGROQAQVNOZ-INIZCTEOSA-N 429.565 4.967 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1690347465 GCTUHIQJQIYTIK-UHFFFAOYSA-N 448.958 4.740 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@H](OCC)C(C)C)CC1 1690369236 CQFMHLZJADKPQP-FQEVSTJZSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cccnc2OCCC)CC1 1690382085 AXHAOJQPUMAEGX-UHFFFAOYSA-N 447.583 4.808 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1690412251 JTMZTOQBKLBION-RXFWQSSRSA-N 439.623 4.921 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC[C@H](SC)C1 1690632506 ABGDHGBBNHDCOR-HNNXBMFYSA-N 437.407 4.624 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1690636215 MSCHYLLKEVTMJQ-NVXWUHKLSA-N 431.378 4.919 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1690735851 KRCZQWQNDDJSRH-DHIUTWEWSA-N 440.657 4.992 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCN1CCC 1705606088 JMQROXPMHFRNKU-OAQYLSRUSA-N 430.600 4.526 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1705608268 KWFHKTPHSQMIIZ-HOYKHHGWSA-N 444.023 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(Cc3csc(CC)n3)CC2)nnc1C(C)(C)C 1705802269 GMBGVWPDLWIDQC-UHFFFAOYSA-N 430.666 4.519 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCN1CC)C1CC1 1705849240 HJRXGRBZYYPQSS-AZUAARDMSA-N 427.568 4.586 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C1CC(C(C)(C)C)C1 1705882572 CDSVLZZSWIPAGV-UHFFFAOYSA-N 428.577 4.598 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1 1705910593 HBOCIJPHBPIOPH-LEWJYISDSA-N 437.632 4.543 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC=CO2)c1C 1706976987 HEMDIYMUKTWCJS-RBBKRZOGSA-N 435.572 4.858 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN(C)C1CCCC1 1708654621 AMNPESSUJXKAAK-JYFHCDHNSA-N 434.632 4.824 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCCOC(C)C 1722282420 AUILSTWLJYFOKL-KRWDZBQOSA-N 433.394 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOCC1CCOCC1 1722284246 IRXAGRUHXDZTCQ-HXUWFJFHSA-N 438.616 4.534 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(COC)CC1 1722311316 VADNIJBAACFOQV-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@H](C)C1 1722421857 OSFMELWITBFGBV-QTEQDKRBSA-N 440.563 4.504 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1722534721 PZSNBWIANNOZET-UHFFFAOYSA-N 431.531 4.647 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1722611777 BJEGRXBOFMDCLN-IBGZPJMESA-N 439.995 4.690 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1722923773 ATUJLVCHLWDJHR-PKTZIBPZSA-N 446.599 4.788 30 10 IJEE CC(C)N(CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC#N)C(C)C 1723771414 DLJSWKGYWXEXBT-QGZVFWFLSA-N 434.991 4.985 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](F)(C#N)C1 1726820921 ANPCLHNQDHJONY-FNVCAUGXSA-N 445.608 4.515 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740568010 RKEDWBLTCLVADY-SJORKVTESA-N 430.394 4.856 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(C)C)C1 1740568761 OULJEMCCMASCEE-HXUWFJFHSA-N 445.405 4.681 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1C 1740680555 GLUGXIKGGXDDKZ-SFHVURJKSA-N 434.609 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1740730412 ZNCWOODLTMQLER-UQBPGWFLSA-N 437.588 4.501 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(F)cn2)CC1 1740836073 YOHYNZYYYGTTFL-UHFFFAOYSA-N 442.336 4.692 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CC2)CC1 1740843876 RYZPDADWVJYJPP-IBGZPJMESA-N 441.595 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCSC[C@@H]1C 1740846729 JRQVNVDSEBPVSU-KRWDZBQOSA-N 430.618 4.896 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@@H]1C 1740891680 GUGJSRFVDWWVCC-RBUKOAKNSA-N 432.012 4.958 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(CC)CCOCC1)C1CC1 1740907389 XHWYNQHGHKZATN-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1740912725 PSHNHTOVYRALNI-SFHVURJKSA-N 431.625 4.669 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1 1740934467 FYGQJLCPGCMUOO-HSZRJFAPSA-N 433.625 4.785 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1sccc1C 1740934522 IBMXXYPMTGTWAW-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(OC(C)(C)C)nc1 1741124707 GQJUGODKCSCAGE-QGZVFWFLSA-N 444.539 4.908 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1(CC)CC1 1743748402 DYHVKRNDSFQFHA-KRWDZBQOSA-N 426.996 4.833 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC[C@H]1C[C@H](F)C1 1749055844 PLSPPFZLFCHGLX-FQELHTAISA-N 431.353 4.838 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)=C(C)C1 1749135510 FMFSHCNGVQWWBD-CVDCTZTESA-N 426.536 4.524 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1749275544 GCYNSJVFEISALD-UHFFFAOYSA-N 429.008 4.585 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC2(C)CCOCC2)CC1 1749296669 RGZADCBAYKWUKQ-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2csc([C@H](C)OC)n2)CC1 1749312191 DYMHWPQOTDHAHI-SFHVURJKSA-N 439.585 4.534 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1749368566 MIOBITMTSUPYSG-OALUTQOASA-N 433.641 4.818 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1749424594 KREGAZWEVVLQHH-UHFFFAOYSA-N 431.462 4.740 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@H]1C 1749541760 TVLINDVXAHXDIV-KDOFPFPSSA-N 444.352 4.959 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCO[C@H]1CCCC[C@H]1C 1749560750 AKAYBZDFNWNJHE-APWZRJJASA-N 448.409 4.809 30 10 IJEE CS[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1)C(C)(C)C 1750245910 AUKYPLILOROVAV-HXUWFJFHSA-N 439.629 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCN1CC 1760098545 UDQDKGWDQPYNIQ-IRFCIJBXSA-N 444.023 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1CC(F)(F)C1 1760099311 DVHQHFKENRBTIZ-AWEZNQCLSA-N 427.524 4.880 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1760148588 GJBMALZJIIZRDF-OAQYLSRUSA-N 435.959 4.547 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1CCc1cc(Br)ccc1F 1760238497 YBGPJGUJJIIADX-UHFFFAOYSA-N 433.369 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCS1 1760290422 FQWXBLPMQIRSBJ-WIYYLYMNSA-N 445.430 4.985 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2nc(C(F)(F)F)cs2)nnc1C(C)(C)C 1760327667 KRGHEOQUVXKSOA-BBRMVZONSA-N 443.539 4.669 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1760346886 MQISMGYNKWXLEO-FGZHOGPDSA-N 437.632 4.544 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N(C)c1cccc(C)c1 1760350277 BMEVGXXJIKAWJE-UHFFFAOYSA-N 444.377 4.715 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(CC)(CC)OC)CC1 1760381546 QAMWGDWBMGVAHU-UHFFFAOYSA-N 425.577 4.509 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCSC)CC1 1760402438 YDJDJEBESPBBKK-UHFFFAOYSA-N 449.665 4.548 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1)c1ccccc1 1760418065 MFUYESQUDUWTIA-DHIUTWEWSA-N 435.616 4.791 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)OCCCO2 1760419284 NIWKWVAQBUOJRI-NRFANRHFSA-N 440.588 4.564 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](C(=O)OC)C1 1760423352 WTHRFBIXVPQDAM-QZTJIDSGSA-N 442.629 4.877 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCc1nnc(C)s1 1760483187 IBAYZSMZVANIPX-UHFFFAOYSA-N 438.532 4.581 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC1 1760488833 GQELFMHOTMQJLI-RBUKOAKNSA-N 430.980 4.903 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC(F)(F)C1 1760504226 LTZQCJRHQGOYQG-HNNXBMFYSA-N 440.922 4.681 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760508250 QBJYDVXZXGZIBB-HNNXBMFYSA-N 447.406 4.610 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1760564143 QKNYRRYEADEHKF-FQEVSTJZSA-N 437.588 4.776 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(C)C)C1 1768377582 FIXPGEABZPMOOQ-QFIPXVFZSA-N 440.661 4.659 30 10 IJEE Cc1cc2onc(CC(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c2cc1Cl 1859649508 RIRNRXVWRNVZQM-UHFFFAOYSA-N 442.866 4.576 30 10 IJEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860721877 BMZFDSJAERNYBU-ZZXKWVIFSA-N 432.276 4.853 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862411497 JENLSEXVBTWPND-HXUWFJFHSA-N 441.455 4.553 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)c(O)c1 1862417482 SAJDFXKUKMXEMD-CNBXIYLPSA-N 443.446 4.533 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862448044 DOUBSKUVHQLXOG-IBGZPJMESA-N 428.872 4.873 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1862451477 GWWOWWLZBAOWGC-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862474712 SEWMBXJPKVBVQI-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862478580 KUZPITSQCOXSLM-NRFANRHFSA-N 447.512 4.576 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(O)c2)ccc1F 1862507814 UYQNOWBPALJASQ-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1 1862621594 UULKTBKJUXLCGE-DEOSSOPVSA-N 441.483 4.545 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 1862634379 XJKDSPRXUUNRMU-SFHVURJKSA-N 434.275 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(F)cc2)cc1F 1862639082 QHGCYKHGFIVIIC-NRFANRHFSA-N 427.447 4.884 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862660009 DRFUKEAOUJBASK-XMMPIXPASA-N 445.563 4.821 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(C#N)c(-c2ccccc2F)nn1C 1866014249 ZGSAOCRWHJQQAV-LLVKDONJSA-N 433.270 4.811 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)c(C)c1 1867093162 YPCCDRHAYAVTTN-AREMUKBSSA-N 439.515 4.634 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(C)n1 1867987617 MSXRYLRSDIGKTP-UHFFFAOYSA-N 439.607 4.875 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3cc4cc(C)ccc4nc32)n1 1868247306 ZQWZDWXZCZZPAH-UHFFFAOYSA-N 436.519 4.832 30 10 IJEE CCCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccn1 1870350269 XIAXZSHHZLXYFN-UHFFFAOYSA-N 444.579 4.754 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)c(OC)c1 1871347027 SIFLWBOUJJHYTL-MYKKPKGFSA-N 447.462 4.811 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)/C(=C/c1c(F)cccc1Cl)O2 1871443099 ZUGMZOBYOASOCH-MFOYZWKCSA-N 444.871 4.878 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 1871985186 YYWCCHNUDSJCTQ-HSZRJFAPSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(OCC)cc1 1872515803 AQHXOWICKFALOE-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872548636 NJEHOOORZJJXAE-HTAPYJJXSA-N 432.561 4.673 30 10 IJEE COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)Nc4ccc(C#N)cc4)ccc23)cc1 1873864804 YOSOZCIPKWIUEF-UHFFFAOYSA-N 440.455 4.666 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2/N=C/c2cccc(F)c2)cc1OC 1874200101 KRKKCAOPXUIFMR-BUVRLJJBSA-N 428.533 4.604 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)cc1 1874303531 CZNKLYKMASQPEE-CVKSISIWSA-N 435.528 4.909 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874349672 XVSXUFIHUURDGP-FSJBWODESA-N 428.945 4.787 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1sccc1C 1874504945 JHMDCRDYXDSCIT-WSDLNYQXSA-N 427.599 4.830 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1cc(OC)c(OC)cc1OC 1874507569 JXSJRIXZSMJHAI-ZMOGYAJESA-N 444.532 4.570 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OCC(=O)OCC(C)C 1874616605 KCVKEPMXPDRNMI-DHZHZOJOSA-N 441.480 4.776 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1875116258 SEJXURBQJTVJKC-SWGQDTFXSA-N 448.387 4.627 30 10 IJEE CCCCCCCCC[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882527304 CJLGMQFVXZVVMG-ADXZGYQBSA-N 425.591 4.644 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cccc3ccccc23)[C@@H]1c1ccc(C#N)cc1 1892020706 LNUTZKPIKPNEJY-ZEQRLZLVSA-N 429.545 4.744 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1ncc(I)s1 1960006455 LFDBPRAYIJMPAN-INIZCTEOSA-N 428.339 4.561 30 10 IJEE N#Cc1cc(Br)ccc1NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2026168312 ZFNVCRQVAXDIEE-BIXGBWIQSA-N 426.314 4.580 30 10 IJEE C[C@@H](C#N)Oc1ccc(C=Cc2nc3ccc(Br)cn3c(=O)c2Cl)cc1 2054617975 BXGIUZLQSDWKEU-LBPRGKRZSA-N 430.689 4.572 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(C#N)c(Br)c1F 2105998449 PDTRVMZZAKZOAH-KBPBESRZSA-N 426.330 4.955 30 10 IJEE Cc1c(Cl)cc(CN2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)cc1Br 2111258348 HHWJRFFCMXEWRD-XOIINTDNSA-N 426.591 4.935 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(c2cc(Br)c(C#N)cc2F)C1 2118155950 FKCXIVVJTPSUNW-CHWSQXEVSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1Nc1ccc(C#N)c(Br)c1 2162301376 LRLUNPUDTBAPGJ-MOPGFXCFSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)C1 2174815405 SSSDUYKIANBKJO-DYVFJYSZSA-N 438.341 4.686 30 10 IJEE CC[C@@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCCN1C(=O)OC(C)(C)C 2180933339 UFROEFBTHIYWJE-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181104286 XVVBCRUGMQASRU-VNHYZAJKSA-N 436.350 4.541 30 10 IJEE CC[C@H](C)[C@@H]1CSC(=Nc2ccc(Br)cc2I)N1 2223680188 ZNWOJGJWLVMERM-UFBFGSQYSA-N 439.160 4.792 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 2232256712 QZCWJBCWVJOPFW-INIZCTEOSA-N 439.365 4.710 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CC[C@H](NC(=O)OC(C)(C)C)C1 2235720590 PSTNEAJYNKKWGD-LRXVAGHRSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@@H](N)C#Cc3ccccc3Br)(C2)C1 2235724717 GKBHCPQHWFCFMC-XWFZLUIHSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2ccccc2Br)C2(CCCC2)C1 2235725482 DBMOKVXNWHIMHO-MJGOQNOKSA-N 434.374 4.589 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1 2255859819 VNPGXXBPLGXTJS-BMGDILEWSA-N 430.354 4.693 30 10 IJEE C=CCCC1([C@@H](O)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266299982 PIVDBZZGSSQAPL-KRWDZBQOSA-N 426.351 4.694 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(OC)c1 2266734269 RFSIDXYKTQZXNA-WMZOPIPTSA-N 427.383 4.968 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](N)c2c(F)c(F)c(Br)c(F)c2F)C1 2267838115 NKFMEQWFTSGVGV-AWEZNQCLSA-N 439.247 4.619 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2c(F)cccc2Br)NCC)C1 2274022882 CAQGVDDYWNMRNF-QGZVFWFLSA-N 427.358 4.722 30 10 IJEE Cc1cc(C(=O)C#Cc2cccc(Br)c2)ccc1I 2278728930 XWENFSKYXNMTEU-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2cccc(Br)c2)cs1 2278739903 NANAGKJUXQLKLK-LBPRGKRZSA-N 435.343 4.726 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@H](N)C#CC1CCCCC1 2289694032 RYLALOIIJDPNIP-WOJBJXKFSA-N 435.406 4.796 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CC1CCC(NC(=O)OC(C)(C)C)CC1 2296227818 SKDSVEQLBBRLNS-UUKMXZOPSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@@H](N)C#Cc2ccc(Br)cc2)c1 2296300816 MUMOHNUOKVHIFR-FQEVSTJZSA-N 429.358 4.568 30 10 IJEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(=Cc2cn(C)c4ccccc24)C3=O)cc1 2296593655 BRGWQASFFUQOAL-UHFFFAOYSA-N 445.496 4.871 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 2296867273 GCKLOGOAVCHNCP-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE CCCN[C@H](C#CC1(SC)CC1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2299642513 IIBRQFKIPOBZGX-YADHBBJMSA-N 446.657 4.754 30 10 IJEE CCN=C1SC(=Cc2cc(OC)c(O[C@H](C)CC)cc2Br)C(=O)N1CC 2313557076 SPCNTZMSMDHTPL-GFCCVEGCSA-N 441.391 4.947 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 2314430102 WIHNZZZDGLUADT-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE Cc1cc(C#N)cnc1Sc1cc(I)ccc1Br 2316384953 QRILZXCKQSHNLO-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE C[C@@H](C[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317358357 LQMFLDJDVIWXKA-AONBVXOQSA-N 432.370 4.797 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCOCC1 2318701152 SJFFVSGHMXQRER-GOSISDBHSA-N 449.523 4.533 30 10 IJEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc(OC)cc3)C4)C2=O)cc1 2322305322 WEJUYUULCVQGQX-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccncc3)C4=O)oc12 2322860243 OITSAHULPLHZHJ-UHFFFAOYSA-N 427.412 4.980 30 10 IJEE C=CCNC(=O)[C@](C)(CC)NC(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2323202538 HMBQCIVJCQIJKO-DEOSSOPVSA-N 426.944 4.519 30 10 IJEE Cc1c(OC(=O)c2cnccn2)ccc2c1OC(=Cc1c(Cl)cccc1Cl)C2=O 2323203114 UFFMJDXTAKUEJT-UHFFFAOYSA-N 427.243 4.927 30 10 IJEE COc1cc(C=NNc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323306692 SZEWJPGTUMMILH-UHFFFAOYSA-N 431.452 4.813 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1OC 2323375259 JWSXJNSEQPCYOV-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(F)c(C)c3)cc2[N+](=O)[O-])o1 2323972723 OJWBJPBQLSFWRD-UHFFFAOYSA-N 439.395 4.897 30 10 IJEE COCCC(=O)Oc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC 2325753799 ZAKSJBLAFMWNNL-UHFFFAOYSA-N 426.509 4.974 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1OC 2325953606 WBSNMEHDMICGKE-UHFFFAOYSA-N 443.370 4.800 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(OCC)c1 2326272244 ZMNVISXNXNOVQK-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc1OC 2326731145 SNSJJAVDOWCCCC-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccc[nH]2)c1 2328724582 GHRZSNVELSSGID-UHFFFAOYSA-N 435.528 4.931 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)cc3OC)cc2)c1 2330775820 QQXIVTSVPINMQZ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c1 2330785536 CDZQLPIULRWGAH-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c([N+](=O)[O-])c2)cc1 2330835109 UDPPOEHMLNBWNK-UHFFFAOYSA-N 431.448 4.843 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1 2331678749 HOOYAXANBOPEOJ-UHFFFAOYSA-N 431.924 4.807 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)c1 2331678839 WCVCTTOIRABDGN-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(SCC)nnc2C(C)C)cc1OC 2331695019 CKPCBOVLBATVHE-UHFFFAOYSA-N 441.395 4.956 30 10 IJEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN(Cc2ccccc2)C1 2339542251 YNSBMGTZRIUKLG-TVXVBNPNSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339586343 DIHOKSFYONDYFI-WKWPXIAWSA-N 443.397 4.974 30 10 IJEE Cc1cccc2c1N(C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)CCN2C(=O)OC(C)(C)C 2352853780 ZBGPFPPCFIMEFQ-SJORKVTESA-N 442.365 4.565 30 10 IJEE C=CC1(C[C@@H](OCC(=O)O)c2sc(Cl)cc2I)CCC1 2366708406 AFUONRRKADWSEG-SNVBAGLBSA-N 426.703 4.895 30 10 IJEE Cc1cc(CN2CCC(CN(C)Cc3ccccc3)CC2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369733973 SHYKXCMRNFYDRU-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE CCOc1ccc(Oc2c(/C=N/NC(=S)NC(C)C)c(C)nn2-c2ccccc2)cc1 3330220 JTMYWNVETSLBCQ-BUVRLJJBSA-N 437.569 4.578 30 10 IJEE Nn1c(N/N=C/c2c[nH]c3ccccc23)nnc1SCc1ccc(Cl)c(Cl)c1 20527834 CUARSTRURUMECF-NUGSKGIGSA-N 432.340 4.518 30 10 IJEE Nn1c(NN=C(Cc2ccccc2)Cc2ccccc2)nnc1SCc1ccc(F)cc1 20826954 SXEQBJWXILXDJO-UHFFFAOYSA-N 446.555 4.677 30 10 IJEE CC[C@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1)n1c(=O)cc(C)c2cc(C)cc(C)c21 32527306 GQZHGZJIPRWUAQ-JOCHJYFZSA-N 439.519 4.574 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c(OC)c1 34954226 KGTOWXSMUCZMIK-WDZFZDKYSA-N 432.428 4.548 30 10 IJEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(OCC)c(OCC)c1 38593800 FJEKNKVLOCLKKV-HSZRJFAPSA-N 433.504 4.938 30 10 IJEE COc1ccc(/C(C)=N\Nc2nc(SCC(=O)Nc3cccc4ccccc34)n[nH]2)cc1 59039268 XZQTWCOTFUYFOU-YSMPRRRNSA-N 446.536 4.533 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)S/C1=N/c1cccc(OC)c1 59109064 RHQUHLAUGFWRQW-IQWWUADYSA-N 447.919 4.634 30 10 IJEE C=CCOc1cccc(NCC(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1 66064682 WGWJIPJJEKLLPV-UHFFFAOYSA-N 429.520 4.574 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 102718883 PTIIHZGVJZQKFD-LAFOYAEKSA-N 432.457 4.524 30 10 IJEE CN1/C(=C/C(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)C(C)(C)c2ccccc21 104571834 KJZJWPDQTTVAFM-AFUMVMLFSA-N 429.516 4.888 30 10 IJEE CCOc1cc(/C=N\S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1F 169908676 QURXTSNXYJFMOY-MYYYXRDXSA-N 427.497 4.920 30 10 IJEE CCCOc1c(Br)cc(/C=N\n2c(S)nnc2C(C)C)cc1OCC 169909811 LAYXFPMEPWMZBU-GRSHGNNSSA-N 427.368 4.522 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC(=O)c3ccc(F)cc3)cc2)NC(=S)N1 169938323 MUESCRNEPZKIJH-JOCHJYFZSA-N 446.503 4.721 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2cccs2)cc1 169989177 NNPMYCQMMYQMDJ-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccn2)c1 169990703 WJUHFKBDXQJVPX-QFIPXVFZSA-N 432.451 4.711 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2)c1 170036543 LEYYWURJYDXKOD-XMMPIXPASA-N 441.483 4.803 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)c1 170054973 ZASHXKQGJONYNU-VWLOTQADSA-N 427.500 4.793 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170132342 YAZQIMKVRLUAFS-XMMPIXPASA-N 441.483 4.760 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170168011 PRJZMBYLAPBKJW-QFIPXVFZSA-N 430.529 4.800 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)c1 170175097 GXIPIDOGWSBVOF-JOCHJYFZSA-N 426.428 4.625 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1C(C)C 170192887 VVZUMRGYHJAIFU-JOCHJYFZSA-N 432.476 4.585 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)cc1Cl 170224582 PVRPXHLGUNXOBJ-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@@H]1c1ccco1 170279987 LBZJKIXYVFEMSS-QFIPXVFZSA-N 447.487 4.692 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccco2)c1 170284538 GIFDHXGJDNLOGG-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)c1 170289642 UFDNTTASSUPXMH-NRFANRHFSA-N 448.862 4.986 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(C)c2)cc1Cl 170343225 MWYZGLWKSJVFPT-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170474391 YLEJRCDWIOIREQ-FQEVSTJZSA-N 433.508 4.865 30 10 IJEE CSCc1nc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(=O)[nH]1 170572441 QWCIWEALTXRQAV-UHFFFAOYSA-N 442.500 4.684 30 10 IJEE CCCCCCC[C@@H](NN)c1cc(Br)ccc1I 232960019 FPCTVPOTYMVOSI-CQSZACIVSA-N 425.152 4.919 30 10 IJEE COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(C)C2=O)cc(Br)c1O 252621984 NLQQNQDQZOBFMZ-NOPVENIWSA-N 433.327 4.706 30 10 IJEE COc1cc(C=NNC(=S)Nc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1 254408546 WRPVXURQAOJYQH-WYFMBXCMSA-N 431.517 4.635 30 10 IJEE CC1(C)OB(c2ccsc2CNC(=O)c2ccccc2OCc2ccccc2)OC1(C)C 404904129 BHMDWNCCQISXOY-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 446107643 IIABWARNJJHREH-UHFFFAOYSA-N 437.499 4.748 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCCC[C@H](CCOC)C1 460951410 WNRRWZAIBGYSOW-LJQANCHMSA-N 430.618 4.798 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccc(OC)cc2)cc1F)c1nc(C(=O)OCC)cs1 521608994 JPALZXBIBATHPH-UHFFFAOYSA-N 440.496 4.967 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)c(O)c2)c1 526489048 OTCFTMHLFDDUJZ-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])s2)cc1 526516346 PQGSBERZXKOHCF-HXUWFJFHSA-N 433.445 4.594 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2O)ccc1OC 526708249 MNIOGFITADGZGD-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OCC(C)C)cc1 526829088 SMLSZBYOKAFXMQ-UUYOSTAYSA-N 425.514 4.704 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(c2nccs2)CC1 549252118 LJDUAGYASWQOPH-UHFFFAOYSA-N 439.585 4.769 30 10 IJEE Cc1c(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)sc2ccc(C#N)cc12 550844040 GKURNCSTLHIPKY-PMERELPUSA-N 438.574 4.761 30 10 IJEE C=C(CC(=O)CC1CCCCC1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585826421 RLCWGCSUJFCOPP-UHFFFAOYSA-N 425.617 4.916 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc(C#N)cc2F)cc1 609229176 XGEYGBVGXXNXKH-UHFFFAOYSA-N 440.478 4.548 30 10 IJEE CCn1nc(C)c(Br)c1CC1(C#N)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 712808807 WUWNCAGHPPICBT-DBIVSCPCSA-N 437.382 4.588 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)c(Br)c1)c1cccc(F)c1 721305162 YKKPXZYMKKXWHM-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE N#C[C@@H]1CN(C(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)CCN1C1CC1 732649093 OYLFZZPCTVBGPY-GOSISDBHSA-N 435.524 4.677 30 10 IJEE N#Cc1cnc2ccccc2c1OCCOC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741435955 LUTGIDSHNYGUKO-ZWKOTPCHSA-N 442.393 4.731 30 10 IJEE CC(C)c1ccccc1OCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 751823645 BGDQHJWAUDDCAF-OAHLLOKOSA-N 426.538 4.571 30 10 IJEE C=CCn1c(C)nn(CN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1=S 753810507 FHVHWTCYIRAFEP-GOSISDBHSA-N 430.622 4.642 30 10 IJEE C[C@@H](OC(=O)c1coc(-c2ccccc2Cl)n1)C(=O)Nc1sc2c(c1C#N)CCC2 776442383 GSYZEWJMAHYWIV-LLVKDONJSA-N 441.896 4.601 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 1125323170 DXPOLDGGHXNASQ-RBDMOPTHSA-N 433.508 4.853 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1128193833 RTRIWDAOTIOUKD-DYESRHJHSA-N 432.561 4.820 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1nc2ccccc2cc1Br 1129280533 GMLOGIOJWPQAKD-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 1157521047 DICFRWFPRCIRQZ-HSZRJFAPSA-N 431.561 4.751 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)c3cc4ccc(C(F)(F)F)cc4nc3O)CC2)cc1 1157523435 ASSHUSMHGOOSIE-UHFFFAOYSA-N 425.410 4.851 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1160816347 OICZZMGSIXCNNR-RTWAWAEBSA-N 426.944 4.657 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc(CC)cs2)CC1 1164062061 SQJNUDGIISXULU-KRWDZBQOSA-N 442.025 4.523 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(CCOC)CC(F)(F)F)c2C#N)C1 1167401940 GUPKZBHDNUVTEH-AWEZNQCLSA-N 445.551 4.610 30 10 IJEE Cc1c(S(=O)(=O)NCc2ccncc2OCCC(C)(C)C)sc2ccc(C#N)cc12 1191006803 FQAFDSRSTDOORE-UHFFFAOYSA-N 443.594 4.770 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cn2)cc1 1214706130 AUFQOVVPCCVLBC-UHFFFAOYSA-N 431.471 4.547 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1221846070 QUJSVKFZEGVIMN-COPCDDAFSA-N 434.024 4.926 30 10 IJEE C=CCCSCCNC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 1229159636 XWTWOZZSDLGVRS-OAQYLSRUSA-N 432.973 4.809 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 1265133584 RCAFUXJQJUPKFF-UHFFFAOYSA-N 428.960 4.789 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 1267392127 DDIHMGOYLQHDTO-OAHLLOKOSA-N 428.414 4.519 30 10 IJEE C=CC[C@@H](OC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)c1ccc(Cl)c(Cl)c1 1270234813 CBAKTXZNIYWKQY-MEBBXXQBSA-N 445.393 4.819 30 10 IJEE C#C[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc(Br)cc1 1275463046 HTEFWZQCKOXVBR-FQEVSTJZSA-N 438.321 4.944 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1286318409 UYCDVSUYFYAGOC-DNVCBOLYSA-N 438.790 4.817 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286357249 ZQAKUJCUKLGVAN-GMAHTHKFSA-N 436.600 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N(CC)CC 1286519400 WUCNHSPNJYNUKG-KHCICDEESA-N 444.023 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1286556408 PAXUNEYZZHNYPU-CZAAIQMYSA-N 448.970 4.930 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)c1ccc(F)cc1 1286582842 GBDACQMTLKVYPE-OTPAQWSUSA-N 444.595 4.646 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1286621384 HEFWCWJKPZQXNJ-HNNXBMFYSA-N 432.355 4.909 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)c2cccs2)CC1 1286663757 IYLUFVOIIUOSHU-XMMPIXPASA-N 438.597 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286674921 KCCAFLRGKHPCTB-NRFANRHFSA-N 448.615 4.804 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286753390 BXKVVXXVDQPFFI-GBXCKJPGSA-N 429.568 4.961 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C)s1 1286799293 SEDPORLUOHGDPZ-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2c(Cl)cccc2OC)C1 1286811908 JVMNMDALDVJABQ-GOSISDBHSA-N 430.980 4.502 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1286832843 OYHDZCVIIIGDGH-QFIPXVFZSA-N 441.645 4.676 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1289415207 WHCNADWXFHLXEB-NRFANRHFSA-N 431.330 4.869 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 1297947908 DNTVNERVRIXVHT-UHFFFAOYSA-N 437.490 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(NC(C)=O)c1 1300284110 PPEFHUGQRGIMKJ-IAGOWNOFSA-N 447.608 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1300285982 CQRSZYAHNXNZCY-WEYGHZABSA-N 435.959 4.619 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1300318138 YWSMLFMDKJVYPD-NJYVYQBISA-N 446.643 4.565 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCc2sccc2C1 1300393070 BKKQASLOZMAWLU-UHFFFAOYSA-N 427.371 4.745 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C2CC2)C1 1301019091 FXASYDOSGUTMJH-ZDUSSCGKSA-N 425.733 4.836 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1301069292 BYSHBWMXLZKWQY-IBGZPJMESA-N 445.558 4.823 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1301078585 SNPBAOXOOZAHMO-NHCUHLMSSA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCOCC(F)F)CC1 1301109012 FENVLAGLOILVAE-UHFFFAOYSA-N 430.543 4.822 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@H]1C(=C)C)C1CC1 1301315814 BEHNWOBCNMRLFY-XLIONFOSSA-N 430.499 4.683 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1301410295 BHXYFKNMWUQHJE-PMACEKPBSA-N 425.621 4.740 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1 1301612937 RTQYYQLRJHJEKX-RBUKOAKNSA-N 449.665 4.548 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)C[C@H](C)O1 1306449507 IDGIEDURQVUBIY-CEWLAPEOSA-N 437.588 4.559 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CCCC1(C)C 1310017873 SFMUNYZYJGKSBN-NQIIRXRSSA-N 433.618 4.706 30 10 IJEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1)C(C)C 1315198567 CLHSPXTVOPAJKM-GOSISDBHSA-N 429.977 4.839 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@@H](C)[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 1350085157 ITTDWDBSNZMCRX-KNQAVFIVSA-N 437.536 4.761 30 10 IJEE CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1357156406 DTXFFSDPBACHPE-UHFFFAOYSA-N 425.448 4.582 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)c1 1358372131 WYQMLSGJXOVFOW-HXUWFJFHSA-N 444.556 4.714 30 10 IJEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1358934154 RPTZMRMHRITTHJ-KRWDZBQOSA-N 447.564 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccsc1 1359102973 IAQCHRSFBJUQMT-OFNKIYASSA-N 438.597 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1snnc1C 1359107545 OYTAUTRSTLIABX-OAHLLOKOSA-N 432.981 4.682 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1359120126 JVUFTANPARLJRY-UHFFFAOYSA-N 441.988 4.635 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N[C@H](C)CC)C1CC1 1359248128 BHIQNROHQDUGQQ-CQSZACIVSA-N 436.387 4.712 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1359475288 HJUJCVUEKVNXIG-GOSISDBHSA-N 448.546 4.981 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](CC)Cc2ccc(Cl)cc2)nnc1-c1ccco1 1360090957 YJGYMAWKURDHLH-GOSISDBHSA-N 444.988 4.997 30 10 IJEE C#CCN(C(=O)c1cc(F)c(F)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1435175497 LGVZPGWOCMSLKX-KRWDZBQOSA-N 440.671 4.980 30 10 IJEE C#CCN(Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCOc2ccc(Br)cc21 1459509105 INYWXBNSCXQGTP-QGZVFWFLSA-N 425.248 4.822 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@](CC)(C(=O)OC)c2ccc(Cl)cc2)cc1OC 1459979909 IXGHZPKOZVFIGM-LTBVCIIGSA-N 443.927 4.521 30 10 IJEE C=CCCC[C@H](C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1462426751 PDBJBZZOWHUVGJ-FPOVZHCZSA-N 441.369 4.959 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCc2ccc(I)c(C)c2)c1 1465535208 BGTSKJFJOKXLKH-UHFFFAOYSA-N 436.293 4.876 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1ccccc1 1465582166 IPYRAGKBCHVEJZ-XMMPIXPASA-N 432.568 4.803 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 1469003894 COPABOXRVSZOMF-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccccc1 1471201667 XBVYDAZBMPXWPR-QFIPXVFZSA-N 449.551 4.873 30 10 IJEE Cc1sc(NC(=O)CN2CCC[C@@H]2Cc2ccccc2Br)c(C#N)c1C 1473563973 DJSZXHNJGPGESU-MRXNPFEDSA-N 432.387 4.645 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1475122613 IRKRRUOFCYDKPS-OAHLLOKOSA-N 432.395 4.739 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCN(c4ccccc4F)C3)cc2)nc1 1476056494 FMCYRUBDFIDCCL-IBGZPJMESA-N 431.471 4.675 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C34CCCC4)cc2n1 1477122360 XSLGLQZAPQQNBE-FQEVSTJZSA-N 439.560 4.666 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)CCS1 1494235356 FZVZTGHXBHISHJ-FUHWJXTLSA-N 431.556 4.974 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1507555918 XIGWSKXSOZCLCO-IBGZPJMESA-N 440.588 4.647 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)noc1C 1507555991 CZLAFBRDUHPNHS-GOSISDBHSA-N 425.508 4.602 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](C(=O)OC)C1 1507579046 JSYZLGUNZXWDAE-OAHLLOKOSA-N 442.972 4.616 30 10 IJEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CCC)Cc1ccc(F)cc1C 1507590036 UYOFBNCSQUSHHY-UHFFFAOYSA-N 444.558 4.794 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1Cc1cccs1 1507749832 YJFGRZAWQGXSHQ-KRWDZBQOSA-N 444.029 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCc1ccc(Cl)s1 1507769505 AJYPZZWVWZOOFK-JOCHJYFZSA-N 428.964 4.958 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1507779741 GYRCREBTWGPHJO-IBGZPJMESA-N 443.345 4.587 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC=CO1 1507814989 AEYQTFWNBWAVNS-INIZCTEOSA-N 435.341 4.942 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1507837538 BBGNOLFIDHGVBC-QGZVFWFLSA-N 441.963 4.792 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1507938830 ILUBRYXFBAMMFA-SFHVURJKSA-N 429.615 4.630 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC2(CCCC2)C1 1507941229 DWXYNNCFMVZOMV-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)OC(C)(C)C1 1507960189 WITJBVSWSIEZBV-ZWKOTPCHSA-N 444.645 4.728 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507976068 YXNWPCXGMURIKM-WOJBJXKFSA-N 432.616 4.872 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1508049877 LOQBKIYTVHOCCQ-ROUUACIJSA-N 431.378 4.678 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508052178 VWMCMTIPFMBPBH-RUZDIDTESA-N 442.604 4.960 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC=CCC2)C1 1508113481 GRRGDFJKYLBBQG-FXAWDEMLSA-N 443.389 4.845 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCSC2(C)C)C1 1508117952 SUQVKINDILBFIW-HKUYNNGSSA-N 433.021 4.912 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1508160838 XQCUYYGAJIYFCE-DLBZAZTESA-N 435.663 4.964 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 1508167711 OZODKYBANPBOBJ-UHFFFAOYSA-N 428.936 4.665 30 10 IJEE C=CCc1cc(C(=O)Nc2nc(Sc3ccc(OC)cc3)ns2)cc(OC)c1OC 1515259054 ZPNXBXRMVAISES-UHFFFAOYSA-N 443.550 4.696 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1522166046 LBSKSMCBCHWPDO-XMSQKQJNSA-N 429.944 4.605 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1 1523210264 LFKXRIIHPOZGTB-XMMPIXPASA-N 427.525 4.852 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)s1 1526226555 IAJGWFAZLJPMML-ZDUSSCGKSA-N 439.002 4.705 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 1527806993 IMMJGYCFVOTEAJ-HOCLYGCPSA-N 438.259 4.993 30 10 IJEE C#C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(Br)cc1 1528080942 KYFFXBKWZFMYBW-GOSISDBHSA-N 445.263 4.806 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC(C)(C)c2ccc(CC)cc2)nnc1-c1ccco1 1533728969 UZYMFJFCPUTLDL-UHFFFAOYSA-N 438.597 4.863 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C(=O)OC 1535098187 OFYXMCSFYPBNNT-HXUWFJFHSA-N 440.569 4.595 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1537317089 LMTQVYZTTRXWEM-YKSBVNFPSA-N 437.580 4.940 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cc1 1538192544 AOBDIBUPVJFBOZ-MRXNPFEDSA-N 431.496 4.582 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(COC)CC1 1539095995 OLBOJZXJCSUZBE-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1539636484 KWJUZIXIPUBYKQ-DHLKQENFSA-N 449.574 4.799 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCN2CC)CC1 1539875379 XAMVWFHSNKKHLD-GMAHTHKFSA-N 437.632 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(C)(C)C)CC1 1539924273 QUFNCHSVAIAULM-UHFFFAOYSA-N 430.666 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1540142423 KNTRZHJZGXHVSC-MRXNPFEDSA-N 431.606 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)OC 1540142579 MOMFHBSBMDJUIZ-UHFFFAOYSA-N 448.596 4.810 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](CC)Oc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1543745116 SOEXRSCXVZBEFI-FDDCHVKYSA-N 436.980 4.959 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)N(C)C 1543764376 BPEDKHUDNIZVNJ-FGSXEWAUSA-N 434.613 4.806 30 10 IJEE COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 1543848451 HFUYYPRSOTUIEW-FCHUYYIVSA-N 426.472 4.666 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](c2ccco2)N(CC)CC)cc1 1546180679 AFHPUJBTMILHAT-HSZRJFAPSA-N 446.599 4.924 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cccc(COCc4ccco4)c3)CC2)c1 1562210051 GVSHYIQMGYWPJB-UHFFFAOYSA-N 444.535 4.654 30 10 IJEE C#C[C@@H](NC(=O)N(CCc1ccccn1)Cc1ccc(OC)cc1)c1ccc(Cl)cc1 1564997252 HALMTDZPYSIIHD-XMMPIXPASA-N 433.939 4.872 30 10 IJEE C[C@@H](NC(=O)c1ccncc1NC(=O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 1567480344 DORJYBLQHWEPCC-CQSZACIVSA-N 438.409 4.612 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCC2=CCCC2)ccc1Cl 1586699881 BANDVDMCCWJXQK-UHFFFAOYSA-N 448.947 4.701 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1587598403 ATGAVYOPRBAYDB-FJIJXJHWSA-N 436.600 4.809 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OCCC)CC1 1587712364 RTAJZMVXEOJZLA-GOSISDBHSA-N 448.409 4.625 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2sccc2[C@@H]1CC 1587818459 WKYALVAJWMLEHK-NRFANRHFSA-N 436.581 4.951 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(C)CCOCC1 1588105199 PCZBDVCREMMNRN-UHFFFAOYSA-N 448.567 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@H](CC)C1 1589496057 WAAVHHVZFUUTDB-RLLQIKCJSA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1589589602 LIXJAHYJTTYZGA-SFHVURJKSA-N 431.625 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCCCCC1=O 1589614913 IBMDTPYAOHWCSA-UHFFFAOYSA-N 447.986 4.933 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1593721980 IPQKXOSZWNIHKH-IBGZPJMESA-N 442.604 4.818 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1593807084 ICIIHSWTIMCDKG-HNNXBMFYSA-N 434.968 4.609 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@H]1C(C)C 1595075651 JKOXXEKJGNNDSQ-QPPBQGQZSA-N 447.583 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1cccc(OC)c1 1595161595 FNHGMBPSTCSJII-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(CC)CC2)C1 1595689870 XWJASIUXAVKEMF-GOSISDBHSA-N 445.405 4.988 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1595845564 WHINOZNILAFQOW-IBGZPJMESA-N 433.021 4.771 30 10 IJEE CC[C@@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 1611456651 HUZDEYARRYKBQF-JOCHJYFZSA-N 429.486 4.851 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc3c(n2)CCCC3)cc1C 1612119273 BWECDKMLEHKBQI-FQEVSTJZSA-N 444.583 4.534 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H]1CCN(c2c(F)cccc2F)C1=O 1615387879 RFLJIGCDYDPVLG-SFHVURJKSA-N 439.275 4.660 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1616516818 OXYSKJKNJXFFJB-IEBWSBKVSA-N 433.390 4.567 30 10 IJEE N#Cc1c(NC(=O)CCN[C@@H](COCc2ccccc2)c2ccccc2)sc2c1CCC2 1616720447 FWZCXAOOGADJRD-QHCPKHFHSA-N 445.588 4.985 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1618312808 YMJBIWZMZKFEIX-ROUUACIJSA-N 447.000 4.839 30 10 IJEE N#Cc1cccc(CN2CCC(NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)c1 1620990153 GWXIIQFOWMUCOD-UHFFFAOYSA-N 439.485 4.517 30 10 IJEE CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1623159648 GCYCNZWNMLRNMQ-UHFFFAOYSA-N 442.491 4.820 30 10 IJEE C#CCN(CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1)C(=O)OC(C)(C)C 1623859410 ZOPVHNGSAIKGGE-ZCYQVOJMSA-N 448.563 4.623 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(C)C)n(C)n1)c1ccc2c(c1)OCCO2 1627420990 FWEAMCHDEGLLIO-UHFFFAOYSA-N 447.535 4.727 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCCC1 1629247584 PJNZNLKLWYOHGB-UHFFFAOYSA-N 430.545 4.883 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1631871377 AEKTXZSXAVZENW-MDASCCDHSA-N 437.943 4.536 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC[C@@H]2C(C)C)c(F)c1 1631931773 WASFZSJSUXTFIQ-VQTJNVASSA-N 431.552 4.696 30 10 IJEE C=CCCC[C@H](C)NC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1632683054 KOUNIMSYSLYWOR-JTSKRJEESA-N 443.385 4.710 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnn(Cc2ccccc2)c1N 1633070540 DRJAJQZXCVRMOY-UHFFFAOYSA-N 439.494 4.680 30 10 IJEE Cc1cc(C)c(-c2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n[nH]2)cc1C 1633457024 AAWINIIDCYUABF-KRWDZBQOSA-N 447.926 4.519 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1633894620 DLKAXFTZPXIMJW-FNZWTVRRSA-N 442.559 4.732 30 10 IJEE C/C(=C/C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(F)cc1 1634423741 KKEFWLSPECYSOO-ZVBPTUHVSA-N 435.339 4.814 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1 1636158372 NXEKQZKYGSQQPG-AREMUKBSSA-N 426.516 4.542 30 10 IJEE C=CCc1cc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc(OC)c1OC 1641489766 DWTCKXCXNXHITO-HXUWFJFHSA-N 437.536 4.908 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1C 1641998286 GPJXFINILNFUPM-AHKZPQOWSA-N 444.623 4.537 30 10 IJEE C=CCn1c(SCC(=O)c2cnn(-c3ccccc3)c2C)nnc1-c1cccc(C)c1 1643413384 PIMJVKBBAXAYOD-UHFFFAOYSA-N 429.549 4.909 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCCC[C@@H]3CC(=O)OC(C)(C)C)c2C#N)C1 1646781099 GWBMCTLCJQMLEU-DLBZAZTESA-N 445.629 4.659 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)CCCCC)nc2sc3c(c2c1=O)CCCC3 1651637582 GRQRTFXHYNDWNT-OAHLLOKOSA-N 433.643 4.700 30 10 IJEE C=CCCC[C@@H](NC(=O)C1(c2ccc(C)cc2Br)CCCCC1)C(=O)OC 1652016987 IJNPZGCZNGVNFS-LJQANCHMSA-N 436.390 4.974 30 10 IJEE C#C[C@@H]1CCCN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 1654037144 XBGUWLXTUUTEAB-VGOFRKELSA-N 446.532 4.743 30 10 IJEE N#Cc1nc(NC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)ccc1Br 1663862334 BEAYKTVWBMLQIO-ZDUSSCGKSA-N 449.736 4.692 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C 1666389196 BCCZQUFAJGNDNQ-XLIONFOSSA-N 444.576 4.893 30 10 IJEE COc1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC2CCCC2)c1 1669926516 CUIHALDPLVOUCN-DNQXCXABSA-N 433.552 4.998 30 10 IJEE C#C[C@@](C)(CC)NC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1670132385 NWXVVPSNLCWLQL-AWEZNQCLSA-N 436.253 4.881 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)ccc1Oc1ccccc1 1670536487 GDSHPVKVQCZTNG-HXUWFJFHSA-N 446.894 4.931 30 10 IJEE C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1cc(Cl)ccc1OC(F)F 1671169011 GMKYVDNBDWHUFU-CQSZACIVSA-N 434.874 4.664 30 10 IJEE CN(C[C@@H]1CCCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)OC(C)(C)C 1672083439 DCBCLOLHSZFGSE-SFHVURJKSA-N 430.549 4.599 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(CN2CCCC2)c1 1672210542 WPUSJMYQYUUMBY-UHFFFAOYSA-N 444.373 4.931 30 10 IJEE C=CCC1(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)CCCC1 1675398619 DDDOMUWENSRJCX-XLIONFOSSA-N 437.987 4.677 30 10 IJEE C=CCC1(NC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CCCCC1 1675670665 KOMGUZQWMGCRGV-LJQANCHMSA-N 437.506 4.947 30 10 IJEE C=CCc1cc(CNC(=O)NCc2sc(C)cc2Br)cc(OC)c1OC 1676275032 MSOQYCDQTNJOOD-UHFFFAOYSA-N 439.375 4.564 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(Cl)cc1 1677774490 AGNMHJTYGFGNTP-SFHVURJKSA-N 432.833 4.718 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1678420726 KYGSKUFOPAQFIU-RHSMWYFYSA-N 440.357 4.681 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccc(CC(=O)OC)cc1)c1ccc(C(F)(F)F)cc1 1680855070 JJWWJEXNHHIHDV-HXUWFJFHSA-N 434.458 4.928 30 10 IJEE C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681515184 GWTNWMNCYCKJRV-GSHUGGBRSA-N 438.959 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 1682155656 BZEPXDBYVJXVTL-CUWPLCDZSA-N 426.479 4.673 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccncc1OCCC(C)(C)C 1682926462 DPPGGLIIBRWZDV-UHFFFAOYSA-N 427.593 4.962 30 10 IJEE C#CCN(C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C)[C@H]1CCOc2ccc(Br)cc21 1683882084 SCPAKZPPVMAPBE-RVHYNSKXSA-N 439.353 4.646 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 1686762525 UXLBGYQEQVBMKJ-RBUKOAKNSA-N 429.362 4.663 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CCN(CC)CC(C)C)CC1)c1ccc(Br)cc1 1686920008 QZQHJXFPCZLJGF-JOCHJYFZSA-N 448.449 4.913 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](COCC)C1 1689880166 SXZABFVWYMRWCB-GOSISDBHSA-N 445.405 4.764 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1690040880 RKVAVWIJGYFKJF-CPJSRVTESA-N 438.019 4.572 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(F)F)C1 1690224314 JQWMMOQVSVHZOH-LBPRGKRZSA-N 431.712 4.989 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(C)s1 1690239718 ZWRXJUVSJITNDB-SIKLNZKXSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(F)cc1F 1690251459 VOANUNDXGJAYLD-AUSIDOKSSA-N 430.543 4.907 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@]2(CCSC2)C1 1690277438 VYNDPPRUIOXYNQ-HXUWFJFHSA-N 449.418 4.626 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCC(C)(C)C)CC1 1690279723 AMFHTFWADWUORA-UHFFFAOYSA-N 432.012 4.741 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(F)ccc2F)CC1 1690366201 SSRIPYDIWWQODE-UHFFFAOYSA-N 434.288 4.519 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](c2cccs2)N(C)C)CC1 1690415132 YPVVDEIFABHXLA-JOCHJYFZSA-N 435.641 4.830 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1690478027 LCFZZOBMJQFNBV-FQEVSTJZSA-N 446.599 4.592 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)(C)CC1 1690500301 QSDXYGIANONVKG-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1csc(CC)n1 1690515555 PEASYTHHKPZWHE-HNNXBMFYSA-N 431.993 4.955 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CC)s1 1690556010 KQUAAVRCJAXERJ-UHFFFAOYSA-N 448.596 4.552 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1690737867 ZXUAAEWLASDUSN-ZWKOTPCHSA-N 430.618 4.896 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2c2ccsc2)nnc1[C@]1(OC(C)C)CCOC1 1690752536 LJJRJQPUMBFSEI-KNQAVFIVSA-N 448.658 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1705498526 ANJQQILRZJEOSO-URXFXBBRSA-N 447.652 4.691 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1705538043 BRXRIWBHMAVQPB-JOCHJYFZSA-N 434.540 4.660 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1705687433 CUMASKMFEFKWEQ-CYBMUJFWSA-N 425.321 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC[C@@H]1C 1705695293 BKXZMVNMVTUHQD-MALNDZBISA-N 438.616 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CC(C)C)C1 1705697230 UEGKHIDZQFNHDE-CBQOVEMMSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1705704179 ZJBWNSKTCJJOMK-WIOPSUGQSA-N 436.600 4.557 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705727152 IXZHVXFXPDCKRO-UHFFFAOYSA-N 448.615 4.780 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705761090 ZXVNQMHGKLEKDG-WNRNVDISSA-N 436.000 4.570 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(F)(F)Br 1705834541 MYJIXESJQCUSKM-AWEZNQCLSA-N 429.309 4.645 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C1CCCCC1)N(C)C)C1CC1 1705854160 OACMBRCREWLLLY-HSZRJFAPSA-N 443.586 4.812 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCN(CC)C1)C1CC1 1705856088 FOIHVMMZNKANFL-KRWDZBQOSA-N 432.037 4.720 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCCN1CCC(C)CC1 1705862328 GPDYNGBYZCBEDN-UHFFFAOYSA-N 436.579 4.727 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](OCC(C)C)C1 1705912462 KWYCUWYNQFKXIH-OAQYLSRUSA-N 436.556 4.711 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(Cl)s2)C1 1705928900 IWMATXXXXHGXRO-GOSISDBHSA-N 444.988 4.710 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1[C@H]2CCC[C@H]12 1705950102 RNHTZYWZTHPHIF-BZSNNMDCSA-N 447.649 4.504 30 10 IJEE C[C@@H]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 1708013729 BBRRZAFUCRSLKX-QRQLOZEOSA-N 447.505 4.944 30 10 IJEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cccs2)C1 1708074151 BGRNVZHRUBNBSB-OALUTQOASA-N 434.613 4.635 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sccc2Br)C[C@@H]1C 1708175201 BIWGILGRVOSFDN-OKILXGFUSA-N 442.386 4.781 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OCC2CC2)C1 1722329526 BOVRFWZQRPDWHB-GOSISDBHSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1722334907 NFALRMLLMHHDGG-JOCHJYFZSA-N 437.607 4.514 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCn2cc(C)nc21 1722406997 LGCOIXAXXFFRLA-YADHBBJMSA-N 446.599 4.577 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCc1csc(C)n1 1722419629 CETFCCGXOOELGF-UHFFFAOYSA-N 425.577 4.653 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccccc1 1722596720 MUXGXPQHRJMRBX-RQNQAMLKSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](OCC=C)C1 1722597317 KNPLBTDAKPUFMI-QGZVFWFLSA-N 449.368 4.984 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1722603358 UDIQPTVFHUOACF-UHFFFAOYSA-N 443.555 4.680 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1722671341 PYFPFOBZCYKSOP-LJQANCHMSA-N 436.478 4.688 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@@H]1C 1722690932 NOOVLWPXQASCGL-LWYYNNOASA-N 429.609 4.663 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccccn1 1722734309 YJHCEAXIWUBRFZ-UHFFFAOYSA-N 444.402 4.658 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1722736197 ULSPJHUZOTUAHN-UHFFFAOYSA-N 433.503 4.915 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(CC=C)Cc1cccs1 1740582670 GSGIOHWTDQLGSE-UHFFFAOYSA-N 444.402 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740733827 SKIZUPOTSARLQB-FDJWOJMMSA-N 433.644 4.566 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CSCCS1 1740767261 RXMZLKKKOBYSQE-APWZRJJASA-N 436.622 4.808 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1cccc(C(F)(F)F)n1 1740775204 QFGUVOHVMBQIOP-UHFFFAOYSA-N 433.453 4.873 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3sccc23)CC1 1740843643 MSGCTQXHZXZUHY-KRWDZBQOSA-N 439.633 4.725 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccccc1Cl 1740856720 XYCOPCUMCSHDHA-UHFFFAOYSA-N 441.963 4.890 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC1(CC)CCOCC1 1740920654 FCWCYVHYROPGHL-OAQYLSRUSA-N 442.579 4.711 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1Cc1nncn1CC 1740922773 RZIKRHUFGKGFTR-UHFFFAOYSA-N 439.976 4.512 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(C)C)C1 1740970671 BAXOGXQAXMLIII-OAQYLSRUSA-N 431.584 4.749 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1)C(C)(C)C 1748451864 GSOTXYTYEQUEGA-NRFANRHFSA-N 425.577 4.560 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H](C1CCCCC1)N(C)C 1748940908 SOKZHJAVDWGQHC-HSZRJFAPSA-N 439.623 4.865 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@H](C)C1 1749029246 PCLVUYNTRCCJGE-HOTGVXAUSA-N 433.419 4.556 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)CCCOc1ccccc1C 1749102926 PRRUUBBWNWJUJJ-LJQANCHMSA-N 449.393 4.642 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1749220844 RGOAHBYQJGQNNI-DNQXCXABSA-N 447.583 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1749363352 BHZGMCBYNLTTDV-QHCPKHFHSA-N 444.627 4.962 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1749385151 NVJCJIRMZUWYDQ-PXDATVDWSA-N 426.605 4.816 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc2c(c1)OC(C)(C)O2 1749387096 RUKXUZNMZIRCEZ-LJQANCHMSA-N 426.561 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C(C)(C)C)no1 1760104493 ZJSOAOQHYWGAPE-GFCCVEGCSA-N 448.390 4.561 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760131246 QHGZCJSJYMEHEP-RBUKOAKNSA-N 429.559 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(Cl)nc1 1760298253 ZMHDYNUUHUTRFU-JOCHJYFZSA-N 442.350 4.599 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760341560 JDBKFISDSYNPLF-IEZWGBDMSA-N 438.494 4.767 30 10 IJEE C=C(C)Cn1c(N2CCC([C@](C)(O)C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1760349333 ICKFMURQPPGOAI-QFIPXVFZSA-N 448.533 4.854 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1)c1ccccc1 1760363080 DRVAUBYLJNIEJL-FQEVSTJZSA-N 437.613 4.923 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCN(CC)C2)CC1 1760385462 RFSYAIRBGIPNEG-SFHVURJKSA-N 444.421 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(c3ncnc4sccc34)CC2)nnc1C(C)(C)C 1760416965 RBLPEGMTQAPLIW-UHFFFAOYSA-N 439.633 4.509 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](C(=O)OC)C1 1760423351 WTHRFBIXVPQDAM-MSOLQXFVSA-N 442.629 4.877 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1C 1760480588 YYXCECXIDZIIRL-YKSBVNFPSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCC[C@H](O)C1 1760486880 CMBVTEOAVMWVMM-IRLDBZIGSA-N 436.625 4.983 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N(C)C1CC1 1760491213 XQHQRWDCPPMSIJ-ROUUACIJSA-N 425.646 4.793 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1cccnc1)C(C)C 1768878365 GXMGKEAHDDIQHE-NVQXNPDNSA-N 444.583 4.919 30 10 IJEE CCOc1ccc(CCn2ccc(=O)c(OCc3ccc(C#N)cc3)c2CC)cc1OCC 1857912233 GCAKYDPMMIQMJS-UHFFFAOYSA-N 446.547 4.901 30 10 IJEE Cc1cccc(-c2ncc(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)s2)c1 1859742123 RTGDBPRPUCMPEW-UHFFFAOYSA-N 436.500 4.976 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861192080 BKLPMUQVHBVEOZ-BKMJKUGQSA-N 447.639 4.799 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)nc2c1 1862099882 ZQSPXJCMTKRHPI-AREMUKBSSA-N 430.552 4.637 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456610 WEBXCAGWZOSBIP-FQEVSTJZSA-N 443.446 4.986 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862462057 SZQDFQSKYXWYJY-HXUWFJFHSA-N 431.410 4.633 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(Cl)cc2)c1 1862491649 YBJSBEYNTHFYAJ-QFIPXVFZSA-N 440.971 4.877 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(=O)O)cc2)c1 1862493495 QTQUZDXBGFEYJS-QFIPXVFZSA-N 433.504 4.913 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(O)cc1 1862572128 WXAKVGIYSNYJDN-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)c1 1862591782 NOTLJSIPENHZIV-HSZRJFAPSA-N 433.504 4.870 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862595178 JXYWPEYRXUFBIV-DEOSSOPVSA-N 446.547 4.927 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1F 1862638827 LAUFWMZHRDZMOV-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862684197 ZTKLHFMZPTZJHX-IEBWSBKVSA-N 449.400 4.602 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2F)c1 1862700350 FKWNUDXUFOIIPV-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Cl)c1 1862712436 QXXWLTFWJQCJOO-JOCHJYFZSA-N 434.923 4.633 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862735991 DWZGYPYZZFIXEL-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1863270195 HYNMWCIIWSRNPT-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863336398 FIAULVVDUJHVCL-UHFFFAOYSA-N 427.504 4.649 30 10 IJEE C=CCN1C(=O)C(N[C@H]2CCCC[C@H]2C)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706911 RCZCFGCXLLCZOI-XXBNENTESA-N 430.548 4.700 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870410788 FVTOISVSOSUKTH-SZPZYZBQSA-N 426.601 4.855 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccccc2CC)cc1=O 1870814041 RWHDEVOLXPYDAY-UHFFFAOYSA-N 434.536 4.675 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1C 1871458972 JEYXGLZFGMGZRX-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCC)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871487490 LQIWZVVBLDJNEJ-UHFFFAOYSA-N 435.403 4.936 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)CCCC 1871821945 KAMVBMNHGLANAU-OAQYLSRUSA-N 440.675 4.707 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872303354 CXFFTYBJLNJVJM-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1)S(=O)(=O)CCCC 1872440478 XPGWOKCTOOJKRV-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872519272 CUWTUVPYPDEIMH-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(F)cc1 1872569315 XSNGWJHNDUILOX-QFIPXVFZSA-N 448.560 4.517 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3Cl)cs2)c([N+](=O)[O-])cc1OC 1872764412 MIEUXWCOIGITIA-CYBMUJFWSA-N 443.868 4.879 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872770566 XYKTXEMPVABZQX-CQSZACIVSA-N 430.316 4.723 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 1872784826 YNKGZQBPSCHDOP-AHKGRUIUSA-N 435.461 4.625 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC(C)=O)cc3)n2)cc1Cl 1872789716 RZYSWUSBVQWWMJ-INIZCTEOSA-N 426.881 4.887 30 10 IJEE N#Cc1cccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3ccncc3)C2=O)c1 1873285247 BTPFNTJGECUXRA-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccn1 1874207265 GEPLCSCMPBPPRF-WSDLNYQXSA-N 428.359 4.577 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc([N+](=O)[O-])c1 1874260936 ZQOFBYPEZQMVLU-AUEPDCJTSA-N 445.451 4.594 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(F)c2)c(C)c1 1874492597 VEWPQXMYBGSDTC-DHRITJCHSA-N 439.560 4.846 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C2CCC2)cc1OCC 1874496960 MZYKVEJUJNLKCI-JJIBRWJFSA-N 446.617 4.870 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CC2)cc1OC 1874518198 HHTLSDDMAAMBJA-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE CC(C)Cc1nnc(S)n1/N=C/c1ccccc1OCc1ccc(Br)cc1 1874559472 UDLSMFHMHBAQMU-WSDLNYQXSA-N 445.386 4.989 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(F)c3Br)ccc21 1890474285 RUOIDJZAVXAMMN-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE C[C@H](C(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1)c1ccc(-c2ccccc2)c(F)c1 1891225267 WLYNCOIDKQPLSL-IBGZPJMESA-N 442.538 4.990 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(Br)c3F)cc21 1891252200 ODRFOJFLQSBVRN-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE C#Cc1cccc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c1 1951419123 BITMMBXARRMPSJ-FQEVSTJZSA-N 425.484 4.765 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1962793692 CAEXNEFOPSSOTK-WMZOPIPTSA-N 437.378 4.812 30 10 IJEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CC1 1984779155 PWTSJDTVXGWGCY-SIBVEZHUSA-N 444.575 4.954 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]1C1CC1 2018418070 LYCIQMVTYIFGBP-IIBYNOLFSA-N 434.541 4.606 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cc(Cl)c(C)c(Br)c1 2076352331 FKXNBBZKLYSBSW-UHFFFAOYSA-N 431.758 4.612 30 10 IJEE C=CCC1(Nc2c(N)ccc(F)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2106203847 NJSGOYHQEJQMHF-UHFFFAOYSA-N 428.346 4.928 30 10 IJEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(c2cc(Br)cc(F)c2C#N)C1 2118187900 ODOSIPOWBDAXCH-TZMCWYRMSA-N 426.330 4.589 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C1CCC(CNC(=O)OC(C)(C)C)CC1 2235720068 BRTUMUYVIQBLNU-NLPFYKDJSA-N 435.406 4.720 30 10 IJEE C=CCCC1([C@H](O)Cc2ccc(F)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266200608 CSNHMQFUXCBHBM-QGZVFWFLSA-N 428.342 4.695 30 10 IJEE C=CCCC1([C@H](O)c2nc(C(C)C)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2266232010 AGANKJROEIHWBX-CQSZACIVSA-N 428.371 4.532 30 10 IJEE CN(Cc1ccccc1NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267193761 KDVNYTDOIISTJA-IYARVYRRSA-N 444.381 4.864 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267821322 BIVYRNQIPVQUSZ-UHFFFAOYSA-N 443.328 4.798 30 10 IJEE CC1(C)OB(c2scnc2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)OC1(C)C 2282485737 LYRFSHJYAVRAAT-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 2296102942 HTFOWIPLDZXGSL-QFIPXVFZSA-N 433.460 4.530 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc12 2296110505 RHVYBLOTRIPGQI-QFIPXVFZSA-N 435.907 4.951 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)CC1 2296267044 OMDCTQKHGLZGQL-MDKPJZGXSA-N 440.353 4.585 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2296275949 CEBUSSRHZWHOQT-MISYRCLQSA-N 435.406 4.862 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2305323309 UCIXOJUFKNRXPA-NBGIEHNGSA-N 428.573 4.603 30 10 IJEE COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1OCC(=O)Nc1nccs1 2322528075 JFHBQIZHVSUBHU-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE CCc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)NCc3ccccc3)c2)cc1 2323060742 XPHSGVJBFMRIQF-UHFFFAOYSA-N 429.516 4.849 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC 2323099483 INEDWRYWFRFNFU-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1cc(C=C2Oc3cc(OCCc4ccccc4)ccc3C2=O)cc(OC)c1OC 2324281293 LIBKQNDNYZFXRG-UHFFFAOYSA-N 432.472 4.950 30 10 IJEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2324464962 DCZGDRVPWOGANG-MRXNPFEDSA-N 426.444 4.995 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2325079467 YUHOJECABBVHAN-QFIPXVFZSA-N 449.503 4.914 30 10 IJEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)C(=Cc1ccc(F)cc1)O2 2325204142 NHAGEYYTYJMAGC-UHFFFAOYSA-N 428.419 4.978 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2N=Cc2c(C)[nH]c3ccccc23)o1 2326840050 MVGYPAJXNNRBOH-UHFFFAOYSA-N 437.525 4.574 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2327956725 VKBXLMUDOUUERN-UHFFFAOYSA-N 440.956 4.965 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCCC)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329039351 MVKGCAYHXWXDRE-IBGZPJMESA-N 443.617 4.566 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)cc1 2329258376 PALRDFIRPHHKRU-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccncc2)cc1 2329302251 YHGUFULNPFVFBN-UHFFFAOYSA-N 429.549 4.873 30 10 IJEE CCOc1ccc(C=CC(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)cc1 2329395309 DAQUOHPEEJCXIA-UHFFFAOYSA-N 441.487 4.897 30 10 IJEE Cc1ccccc1CCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cccs1 2329507478 VKWMPYSBCOSILA-UHFFFAOYSA-N 442.610 4.607 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(C)c2)cc1Br 2330863146 JHOPIFFKDFWGJQ-UHFFFAOYSA-N 433.298 4.604 30 10 IJEE O=[N+]([O-])c1cccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c1 2331123508 IIGPWZIHBBYYRL-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cc(Cl)c(OC(=O)[C@H]2CCCO2)c(OC)c1 2331351319 JCKZCYAWEBPECF-HXUWFJFHSA-N 430.884 4.646 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 2331400798 WGYNAYLZTIOFCA-UHFFFAOYSA-N 437.429 4.543 30 10 IJEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)ccc1[N+](=O)[O-] 2331434147 CGELCOQVVOBQMP-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)c(C)c1C 2331611867 RRALBMDQWKFMTQ-NRFANRHFSA-N 444.911 4.955 30 10 IJEE CC[C@@H](NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512191 KFPRXGWDRSPXQB-RTWAWAEBSA-N 446.441 4.576 30 10 IJEE C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCN1C(=O)OC(C)(C)C 2339575829 ZYSCUJHIOQISQM-DEWHONNTSA-N 444.381 4.893 30 10 IJEE N#Cc1cc(Br)ccc1Nc1cc(F)c(I)c(F)c1 2341180536 NRXJPZUQPSAAPW-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(c3ccc(C#N)c(Br)c3)C1)C2 2358645521 COUDPLFTMKEJLJ-BTYIYWSLSA-N 434.378 4.937 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(OC2CC2)c1 2362711040 WJPKNORWKVWTQL-OALUTQOASA-N 437.378 4.558 30 10 IJEE Cc1cc(CN[C@@H]2CN(Cc3ccccc3)C3(CCC3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369690797 CGJDJVNLQKMZSV-DEOSSOPVSA-N 446.444 4.581 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(OC)ncc(Br)c1C 2370356875 KHHRDHYMFZJQBC-NVXWUHKLSA-N 442.398 4.671 30 10 IJEE C#Cc1ncccc1NC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2372383681 JQJUIQLZHOQXIN-UHFFFAOYSA-N 430.302 4.733 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O)c(OCC)c2)cc1 20881498 QGRVMZDXZRAEHS-ICSRJNTNSA-N 435.520 4.584 30 10 IJEE CCCCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc2ccccc2c1=O 23300650 FWDGKTYURKBOHB-JZGPVCMCSA-N 440.613 4.608 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(C)cc2)Nc2cc(C)ccc2OC)c1C 32973438 FAMUXHJMWJIHQJ-UHFFFAOYSA-N 447.583 4.586 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)c1 33423004 JJIMAMJKJWATLA-QHCPKHFHSA-N 446.503 4.523 30 10 IJEE Cc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc5c(c3)OCO5)C4)C2=O)o1 41588655 GEZGHAVNEVHGJI-AFPJDJCSSA-N 431.444 4.593 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(Cc1ccncc1)CO2 41589016 FYLKELBNJFTLRI-MSXFZWOLSA-N 437.499 4.850 30 10 IJEE C=C(C)CN/C(S)=C(/C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1cc(O)ccc1C 63858134 FUWXFHPHABMHDY-UHFFFAOYSA-O 433.553 4.885 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)/C=C/C(=O)c2ccc(Br)cc2)c1 96580373 KMYNRBFLJZNPFL-VAWYXSNFSA-N 430.298 4.784 30 10 IJEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(Br)c1)c1c(O)n[nH]c1N2 102494048 VJQYDVSUGPYOEV-MEDUHNTESA-N 442.338 4.898 30 10 IJEE COc1ccc(C(=O)/C=C\c2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 102934069 UNGBGWHQZCUPIC-JYRVWZFOSA-N 448.471 4.836 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)[C@H](C)C4)[C@@H]3C[C@H]12 103926857 NXYQZNKEFFIDPK-YEMUBGRISA-N 438.612 4.520 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)cc1 169982227 OTLRZPYTDYWVTJ-QFIPXVFZSA-N 448.544 4.996 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1ccc2c(c1)OCO2 170092621 ZBWLNVDAXAVNEA-LJQANCHMSA-N 441.798 4.584 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCN(C)C)c1 170146519 DTFYMSYDTUFZCN-QHCPKHFHSA-N 434.580 4.741 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)ccc1OCC(C)C 170208180 ADUSKYBMSCQEEN-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)c1 170230772 QOWOMIXMIGGVNJ-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCN(C)C)cc1 170244962 FXFUPSRKKBZCTJ-RUZDIDTESA-N 446.591 4.829 30 10 IJEE C=CCn1c(SCc2noc(-c3ccc(F)cc3)n2)nc2cc(Cl)ccc2c1=O 248024239 VOOYAENFCMTCTQ-UHFFFAOYSA-N 428.876 4.717 30 10 IJEE Cc1c(N=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)c(=O)n(-c2ccccc2)n1C 252625916 QRZRPPBQXMUZKR-UHFFFAOYSA-N 429.505 4.856 30 10 IJEE CCOc1ccc(N=Cc2cc(Br)cc(I)c2O)cc1 252633975 WIZMCOXTFXTBPE-UHFFFAOYSA-N 446.082 4.909 30 10 IJEE COC(=O)C(=NNc1cccc(C)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 254792842 RUMQSZASIBMRMV-UHFFFAOYSA-N 443.532 4.933 30 10 IJEE Fc1ccc(I)cc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CS 382718295 LXXWIICYQHYPMZ-PBHICJAKSA-N 427.326 4.576 30 10 IJEE Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 439356981 LOXMUZFCLXTCGI-DEOSSOPVSA-N 429.524 4.824 30 10 IJEE C=CCn1c(SCC(=O)C(C)(C)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 475958068 NDRCSFSYMWIUPL-HXUWFJFHSA-N 435.549 4.616 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1noc(Cc2ccccc2C)n1 481377638 YQZQEVUQNJJICN-UHFFFAOYSA-N 447.564 4.926 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](CN3CCCCCC3)C2)cc1 487917016 QWVDDTPGGYVIIO-JOCHJYFZSA-N 431.580 4.865 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(NC(=O)CCCCC)CC1 508845919 DMGIWLBCSGWQIS-UHFFFAOYSA-N 431.584 4.950 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cccc(OCC)c1OC 526802540 JGTDHFVHPRZZRA-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)c1 527311413 WQOAHADMBRDSQX-UHFFFAOYSA-N 443.219 4.610 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 558993998 APIFONYEJBBVJH-DVECYGJZSA-N 427.552 4.893 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 559024231 DMFHYAUHAJQSNU-JPYJTQIMSA-N 434.540 4.505 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 565669075 BVSYVPAZPSLZEW-SFHVURJKSA-N 439.585 4.591 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Br)c3)n2C[C@@H]2CCCO2)CC1 568420029 RUQBCZCNWHCUEH-LPHOPBHVSA-N 447.377 4.516 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1cccc(F)c1 586507390 YKWXUGWCABSRER-UHFFFAOYSA-N 446.327 4.579 30 10 IJEE C=CCn1c(SCC(=O)N(CC)[C@@H](C)c2cccnc2)nnc1-c1ccc(Cl)cc1 604287064 MECHRCIWLYWGAM-INIZCTEOSA-N 441.988 4.881 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)cs1 609212306 UAZAANWRQICBTR-UHFFFAOYSA-N 432.549 4.743 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(CC)[C@H](C)c3cccc(C(F)(F)F)c3)cc2C1=O 642067181 DHRPKONHJCLEJM-CQSZACIVSA-N 430.426 4.711 30 10 IJEE CC1(C)OB(c2cc(Cl)ccc2NC(=O)c2ccsc2Br)OC1(C)C 699086272 KYNPZGRZFNAHSZ-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE C[C@H](C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(Br)cc1 766999613 CRTXPPKDGCQLAL-NWDGAFQWSA-N 447.354 4.545 30 10 IJEE C#CCN(C(=O)Nc1ccnn1[C@@H](C)C1CC1)[C@H]1CCOc2ccc(Br)cc21 776022066 JNEXEIDIBOACEQ-KSSFIOAISA-N 443.345 4.608 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(OCc2ccccc2)ccn1 779197505 VOJCTGJRMWCRPJ-QFIPXVFZSA-N 427.504 4.747 30 10 IJEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1Cl 780309918 QXILWIKUCDJPHT-LBPRGKRZSA-N 447.850 4.711 30 10 IJEE N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 786569100 NCXZAJHDBVTEFR-KRWDZBQOSA-N 442.368 4.674 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)/C=C/c1cccc(Br)c1 796121715 MSCMHXAOYCEQJT-CMDGGOBGSA-N 438.391 4.605 30 10 IJEE Cc1ccc(C(=O)OCCCC(=O)Nc2c(C)cc(Br)cc2C)cc1C#N 799549727 VOIMOXRMWMCYAV-UHFFFAOYSA-N 429.314 4.822 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@](C)(CCC)C1 802568455 AHERLVUQVJRATB-DEOSSOPVSA-N 425.577 4.687 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H]2CCCN2C(=O)OC(C)(C)C)no1 904705681 LPOPFUFNULRRSS-UONOGXRCSA-N 442.944 4.850 30 10 IJEE COC(=O)c1c(N=Cc2cc(Br)c(OC)cc2OC)sc2c1CCCC2 1084407609 QVEQBGMMCDIUSH-UHFFFAOYSA-N 438.343 4.944 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1cc(Cl)ccc1Cl 1084571572 ZPXCBDDGXPUWIC-LFHQSIDJSA-N 447.351 4.953 30 10 IJEE C=CCCOCCCCC(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1131179559 PPHQZZACXZYPGH-OAQYLSRUSA-N 432.561 4.697 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)cc2n1 1134290877 AFGQNCKPEXGFFX-CQSZACIVSA-N 429.307 4.521 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 1136547655 FLSXOCQFWBIZQN-SFHVURJKSA-N 425.533 4.537 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)s1 1143105926 FMCZPBMNGSTOLK-MRXNPFEDSA-N 440.034 4.693 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 1165507543 FAFOTBBXCJYEDF-UHFFFAOYSA-N 432.442 4.866 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)cc1OC 1207689092 RBIIALAXMHMZCT-LJQANCHMSA-N 449.378 4.961 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)CCCC1(C)C 1211693541 AFHCYCZBUCQTQR-ZDUSSCGKSA-N 446.798 4.506 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 1216743618 DZCMZEJGFPKQKQ-QGZVFWFLSA-N 431.355 4.860 30 10 IJEE N#Cc1sc(NC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)nc1Cl 1219069303 GEVZJSRDGZOBQQ-CQSZACIVSA-N 430.896 4.956 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(Br)c(C)nc2OC)C(F)(F)F)cc1 1272443906 OYSFQBRVEQVEMU-HNNXBMFYSA-N 428.204 4.603 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1286278567 PEAAQUGIOLDGEU-PSHVLCQKSA-N 442.579 4.856 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCO[C@@H]1CCCC[C@H]1C 1286366793 AZXGQDOSUXALBC-NFBKMPQASA-N 448.567 4.782 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1Cc1noc2c1CCCC2 1286584077 WPJOVRKDUQOTIV-UHFFFAOYSA-N 435.572 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCc1cccs1 1286673697 FDPBYFVFLQQODM-UHFFFAOYSA-N 434.613 4.859 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286698339 UZYCHFIMPQFCTL-UHFFFAOYSA-N 442.571 4.647 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2nc(C)no2)CC1 1286704769 ZOCKOSFTNZLCON-UHFFFAOYSA-N 436.560 4.516 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1CCO[C@H](C)C1)C1CC1 1286731579 QILOJZJGDNXTGB-UXHICEINSA-N 437.588 4.507 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286770884 YIPYDSFMCKTKIT-BETUJISGSA-N 441.320 4.630 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCCCCC[C@H]21 1286782633 AMWNXBWONQQXHE-DNVCBOLYSA-N 448.398 4.713 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 1297651471 WRUWLGUFBBPOKY-MSOLQXFVSA-N 445.387 4.783 30 10 IJEE CN(C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CC#N)CC2)CCCC1 1298046608 ARXQNJWQUZDPEK-UHFFFAOYSA-N 441.023 4.527 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](c1cccnc1)C(C)C 1300438265 JNTCRISOOVOSAP-HXUWFJFHSA-N 438.373 4.612 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1300443764 LYNMUZBSYASTBX-QFIPXVFZSA-N 431.584 4.742 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1300754458 QSYIIYOZTFFYFF-QGZVFWFLSA-N 441.601 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CC=CCC1 1300873559 HHZGBUIDOMVOSP-QFUCXCTJSA-N 427.980 4.767 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(F)(F)F)C1 1300889927 SKZLRROPNHVETG-ONTIZHBOSA-N 448.533 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1300890021 SKZLRROPNHVETG-VWPQPMDRSA-N 448.533 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1300907275 FKMBCFIFCFFNDW-FPOVZHCZSA-N 439.604 4.993 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)Cc1cc(Br)cs1 1300991720 PTHZFDXMYBTXPW-UHFFFAOYSA-N 425.396 4.599 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301016964 DHBBAEHYSWWFBE-HUUCEWRRSA-N 425.360 4.828 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1301074606 DGNKMRCWIJLADF-HXUWFJFHSA-N 437.588 4.809 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301155833 XVFVSRVIWMWMLS-AKIFATBCSA-N 438.616 4.535 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1301168866 VNAVLTIZZXSBKI-RBUKOAKNSA-N 440.979 4.513 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](CC)C1 1301174467 RUGSXWYMJJHLLW-IBGZPJMESA-N 448.036 4.550 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2ccccn2)CC1 1301195152 VBEJOOHRESNNQL-UHFFFAOYSA-N 446.599 4.552 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](CCC)OC)C1 1301543050 UNTZGLAACBNURY-YADHBBJMSA-N 426.605 4.839 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)N2CCC(C)CC2)C1 1301543514 ZQVQSMXHIYXRFB-UGKGYDQZSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(CN2CCCCCC2)CC1 1301611107 GDGYLZSBNFPHPF-UHFFFAOYSA-N 433.710 4.878 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1305658557 APNHXMXVWNXXSO-FBLLAGFSSA-N 448.659 4.928 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N(C)Cc3ccc(F)cc3Br)c2c1 1307108297 AMKILSABOXEPQT-UHFFFAOYSA-N 430.277 4.662 30 10 IJEE C#C[C@H](NC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Br)cc1 1308784547 MBZZUUXULCUHEE-IBGZPJMESA-N 433.390 4.893 30 10 IJEE COc1cc(Cl)c(S(=O)(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1Cl 1309111748 FBJKLBOXVRTZLF-UHFFFAOYSA-N 427.353 4.721 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c1 1310004814 WYHYYDULPYKPCB-UHFFFAOYSA-N 429.495 4.740 30 10 IJEE Cn1cc(CNC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c(-c2ccc(C#N)cc2)n1 1312124932 HWMGDAJYZNPVEE-VWLOTQADSA-N 449.558 4.784 30 10 IJEE C=CCc1ccc(OC(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)c(OC)c1 1349159448 YXDJXYRNHUEMGW-UHFFFAOYSA-N 431.414 4.610 30 10 IJEE CC(C)COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1Cl 1349893558 ACBRWYBXVIYEJK-HNNXBMFYSA-N 446.334 4.891 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2ccc(F)cc12 1358900732 RDDXVEFXFKTSAU-DKZVUGQWSA-N 437.563 4.518 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1ccc(OC)cc1 1358942038 HOKNEFYPUGRCPI-GOSISDBHSA-N 434.609 4.842 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(C(C)C)CC1 1359019676 CJZOXYKXVJWHEW-UHFFFAOYSA-N 426.630 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1359120212 OPHVVWOVRYXEDK-UHFFFAOYSA-N 445.995 4.916 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@H]1CC 1359128449 UMPVBPYEJCROHB-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1359134324 SCVLAFADEBTFFY-LJQANCHMSA-N 443.661 4.789 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1359135048 QMNUKPXWHCIKEF-XLIONFOSSA-N 444.626 4.551 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1cccs1 1359136515 KWYDXRAOLLKCNZ-LJQANCHMSA-N 442.560 4.992 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1359162151 FYNRNUDONBDARZ-CTNGQTDRSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(Cl)c(OC)c2)CC1 1359180295 ZIUPJDIQOFOMRL-UHFFFAOYSA-N 437.975 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2cncn2)C1 1359184117 CSOIAJGFSCJCBZ-IBGZPJMESA-N 425.968 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCc1cnccn1 1359184934 GBTLYEQWYRQPKE-UHFFFAOYSA-N 428.943 4.809 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359223596 QCPDNMVXPAJKKO-ZIAGYGMSSA-N 437.407 4.597 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1359224557 VXVWPOGACUIAKH-SFHVURJKSA-N 444.988 4.831 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@](=O)C(C)(C)C 1359267887 VXJFWKXPGSQPBN-HKBQPEDESA-N 437.613 4.527 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)CCCS1 1359279682 PFUYQKPNJHSKQF-NRFANRHFSA-N 437.009 4.532 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1359284246 BKYNTAXQDREJJV-UHFFFAOYSA-N 444.507 4.893 30 10 IJEE C#CCN(C(=O)/C=C/c1cccc(OCC)c1)[C@H]1CCOc2ccc(Br)cc21 1360557092 NBZINVBUINXDFF-MAIVGLDJSA-N 440.337 4.847 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1Sc1nccn1C 1442549594 VMJAQXOWSWRKFT-MRXNPFEDSA-N 448.564 4.899 30 10 IJEE C=C[C@](C)(O)CC(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1444496883 COUJJFKTCSZKKD-NRFANRHFSA-N 444.329 4.777 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)c1ccccn1 1456797498 KXZDSFFNBPZUII-WOJBJXKFSA-N 429.948 4.518 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1OC 1458212889 YCJASCXQMWTGFZ-CIGMURNLSA-N 427.369 4.971 30 10 IJEE C=CCn1c(SCCCCC2(C)OCCO2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1458738836 YGGZKZPGWNQRHE-HNNXBMFYSA-N 434.627 4.794 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1c(C)cccc1C 1458842599 CKOFHJJEKDZDKQ-LJQANCHMSA-N 435.593 4.908 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1459423094 CYJPNIONKJUCDU-HXPMCKFVSA-N 438.742 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1459628147 IWSXYQHKVICGDB-CGBRIMPHSA-N 438.999 4.653 30 10 IJEE C#CCN(C(=O)[C@@H](CCCC)ON=C(C)C)[C@H]1CCOc2ccc(Br)cc21 1465180151 XTVFXTSYYJNNKI-AZUAARDMSA-N 435.362 4.706 30 10 IJEE C=CCC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)CCCC1 1467993503 WNAMEWLFJXDIDR-UHFFFAOYSA-N 442.581 4.752 30 10 IJEE C=C[C@H](CC(=O)N1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1)c1ccccc1 1469843076 DAOONXAZFFQUBO-CWKRKGSWSA-N 442.600 4.657 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1 1470664221 ZXXGKLYQYVYWHJ-YADHBBJMSA-N 431.914 4.771 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CC[C@@H](C(F)(F)F)O1 1472934671 KNTRSEKHTOLMAT-GJZGRUSLSA-N 433.883 4.899 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2ccc(F)cc2Br)cc1 1473442405 CBFBEBZKHQNZCX-INIZCTEOSA-N 432.337 4.664 30 10 IJEE C=CCOc1c(Cl)cc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC 1474070609 XJBXMDCGLHEEPZ-UHFFFAOYSA-N 427.932 4.660 30 10 IJEE C=CCCSCCNCc1cc(I)c(Br)cc1F 1474202781 UYRLGUFWTMEIIA-UHFFFAOYSA-N 444.151 4.592 30 10 IJEE C=CC[C@@H](CC)NC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1478537466 BZYRQHMQDLDGLI-DWKHYPNZSA-N 442.368 4.684 30 10 IJEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)C1 1499878416 HDLURNIIOAQVAS-QFIPXVFZSA-N 448.615 4.528 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=CCC1 1507806156 OPXMPFGYWFPVMV-QTEQDKRBSA-N 438.572 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCCc2ccc(OC)cc2)nnc1C(C)(C)C 1507808232 GNIMJYMDAVQUAP-IRLDBZIGSA-N 426.605 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507911720 JPCWSRAZDIIOGB-KRWDZBQOSA-N 445.995 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1507923043 LBFMLFWWMKDSAB-UHFFFAOYSA-N 433.556 4.621 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cc(Br)cs1 1507928963 LMPHBIXRCVKYJA-UHFFFAOYSA-N 449.422 4.734 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)C(C)C 1508010989 JLNDNJHYJXWHBE-XJUOHMSHSA-N 437.607 4.875 30 10 IJEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1509297279 HUNLHEFHDDFXDQ-SFTDATJTSA-N 434.632 4.952 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2CCc2sccc2C)c1 1510731402 CWJJGHQAERWCMJ-UHFFFAOYSA-N 435.597 4.827 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1523485561 FVOQPEYWPBLTHV-CJFMBICVSA-N 442.556 4.672 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C\c2cccc(OCC)c2)c(C(=O)OCC)c1C 1524509608 QSYCKRCQYWDKJV-QXMHVHEDSA-N 443.521 4.627 30 10 IJEE Cc1nc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)sc1Cc1c(F)cccc1F 1524862987 GMDSPVGQKIVTES-HXUWFJFHSA-N 438.503 4.800 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Br)cc1Br)c1ccc(Cl)cc1 1525039004 QQNFBRJDOXPTKQ-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)CCN1C(=O)CCc2cc(F)ccc21 1525713342 CGNNPUKHBJTUFD-UHFFFAOYSA-N 444.462 4.902 30 10 IJEE CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c(C#N)c2C)cc1 1526122781 USXQIQULJWMTAR-OAHLLOKOSA-N 429.314 4.557 30 10 IJEE C=CCN(C(=O)c1cc(F)c(C(F)(F)F)cc1F)[C@H](Cc1ccccc1)C(=O)OCC 1529014325 FRASYNUDZRATDR-LJQANCHMSA-N 441.396 4.786 30 10 IJEE C#CCN(CC#C)C(=O)c1cc(/C=C\c2ccc(C)o2)nc2ccc(Br)cc12 1532346447 CVMMRPXCPFMNEJ-NTMALXAHSA-N 433.305 4.778 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)CCCN1C(=O)OC(C)(C)C 1534783307 BDMPIRQCUDRYDC-QFIPXVFZSA-N 429.542 4.751 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1cnn(C)c1 1539052545 FTGHERVLGCQWAF-UHFFFAOYSA-N 445.596 4.550 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccnc(SC)c1 1539351190 OQTKRQMBUWHPES-UHFFFAOYSA-N 437.638 4.900 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cc(Br)ccc2C)CCCN1C(=O)OC(C)(C)C 1539367904 IWMQIZXLHALFPL-NRFANRHFSA-N 437.378 4.720 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1csc(C)n1 1539378335 XZBOKABEFCLWED-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCO[C@H]1CCCC[C@@H]1C 1539390715 UXGATAFHRLGGIW-RDPSFJRHSA-N 447.558 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)c1ccco1 1539652594 ZCDINGJXLUDMMZ-NRFANRHFSA-N 445.361 4.611 30 10 IJEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1539752604 SXNLEGCOKXFKHK-UHFFFAOYSA-N 445.489 4.512 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1539785874 FWRAQEPZUMMVSJ-HNNXBMFYSA-N 425.335 4.743 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(O)(CC)CC)CC1 1539882206 HIBDOHVMPJYMFR-UHFFFAOYSA-N 442.604 4.694 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1539953362 QNRIJUUXVYOHDJ-HKUYNNGSSA-N 431.531 4.576 30 10 IJEE C=CCCCCn1c(N2CCC(C=C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539975392 UDOOLNUULAZNAF-BGYRXZFFSA-N 429.609 4.808 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1539991378 HXVUJUVKMWTCPD-KRWDZBQOSA-N 425.483 4.632 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCCS1 1540059031 LTCPXSAHPMDDQE-OAHLLOKOSA-N 437.407 4.624 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCC1(F)F 1540127004 QACNJGXLACIEGF-FQEVSTJZSA-N 426.515 4.697 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCCc1nccs1 1540136923 MVUPKYFXCKRUIO-FQEVSTJZSA-N 441.576 4.941 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCc1csc(CC)n1 1540147144 JGKNXQUZDMSETR-GOSISDBHSA-N 429.615 4.645 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CC1(OC)CCC(C)CC1 1540184241 BJCXOOWWYYQKNJ-UHFFFAOYSA-N 437.588 4.707 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1Cc1ccccc1 1540861323 LOEXSDDZOKRIJR-RTWAWAEBSA-N 437.588 4.748 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1540881021 WZWRMOYCZHUKNB-VXKWHMMOSA-N 437.632 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2nc(C)c(C)s2)C1 1540886653 HDFZSLMIPPMXKN-OAQYLSRUSA-N 437.613 4.605 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc1 1542848649 CXGZQIKOXCRSIV-UHFFFAOYSA-N 435.524 4.943 30 10 IJEE CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C 1554181879 GJVKKJXZEJAZAJ-HXUWFJFHSA-N 448.621 4.879 30 10 IJEE COc1ccc(/C=N\N=C2/S/C(=C\c3ccccc3F)C(=O)N2Cc2ccco2)cc1 1554646047 CJMBSIGBSMLVGK-VBARTGPDSA-N 435.480 4.934 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)c3cc4c(Br)ccc(Cl)c4[nH]3)CCO2)c1 1556071248 GJAPVHOHPDZMSV-SFHVURJKSA-N 444.716 4.669 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC[C@H]3CC(=O)OC)c2C#N)C1 1560056314 FIQWGNWXQVHUPD-SJORKVTESA-N 445.629 4.517 30 10 IJEE C=C(C)[C@H](NC[C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)c1ccc(F)c(F)c1 1560764394 JHNICAKCXDQPEK-JTSKRJEESA-N 448.558 4.597 30 10 IJEE CCN(CCOc1ccccc1C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1570499750 ARPFYPLHDPINDX-UHFFFAOYSA-N 430.552 4.930 30 10 IJEE C=CC1(CC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)CN(C(=O)OC(C)(C)C)C1 1583493299 PRANONUZOZYBMA-UHFFFAOYSA-N 448.523 4.806 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)c2C#N)C1 1583845678 HRGIMXGRHYFIHN-INIZCTEOSA-N 437.565 4.747 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(c3ccc(F)cc3C)CC2)CCCN1C(=O)OC(C)(C)C 1583916998 LGOFGXDAEVTKOP-RUZDIDTESA-N 428.548 4.633 30 10 IJEE C=CCN(C(=O)c1cc2cc(Br)cc(Br)c2o1)[C@@H](C)COC 1586112194 HNOMCMUTUQLATD-JTQLQIEISA-N 431.124 4.621 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nc(C)c(C)s1 1587567596 HZDRMIIGHZCNQE-CQSZACIVSA-N 448.621 4.957 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](CCC)C1 1587712453 VOVAGYFBYDXQNV-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1587758856 IGQYPALVHCJYSG-TZRRMPRUSA-N 436.600 4.927 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1588024431 CJINTMXYMBUPKU-XWTMOSNGSA-N 426.527 4.635 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCCN1CCC(C)CC1 1588193853 MPMBEDKHGMDPFU-UHFFFAOYSA-N 443.595 4.666 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)N1CCC(C)CC1 1588281002 VTSCIWZYWSCHEB-WOJBJXKFSA-N 439.673 4.711 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](OC)C(C)(C)C1 1593671501 KWGMDNOWTREFNA-QGZVFWFLSA-N 425.360 4.601 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OCCN3CCCC3)cc2)CC1 1594180721 DDMDBTAIBXZFMZ-UHFFFAOYSA-N 437.632 4.501 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)CN1CCCCC1 1595196199 NLLMLYLXBLTDRA-OAQYLSRUSA-N 430.600 4.794 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCC2CC=CC2)c1 1597485638 WSUPDKNCJPZPPB-UHFFFAOYSA-N 444.984 4.807 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(C)cc1OC 1611155758 NYTWSIFKJGEWTR-HNNXBMFYSA-N 441.366 4.954 30 10 IJEE COc1ccc(/C=C2/S/C(=N/N=C/c3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 1615300555 AJQOVRMDJHTLOT-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1C 1615597643 DLLNNUJJWWQAIH-NQIIRXRSSA-N 435.597 4.620 30 10 IJEE C#Cc1ccc(NC(=O)CCCOc2ccc(I)cc2)c(Cl)c1 1616349889 LNCQCOCFVWNYTE-UHFFFAOYSA-N 439.680 4.724 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3[C@H](O)c3ccccc3)cn2)cc1 1622864452 FEKKIPQZENWZEB-ISKFKSNPSA-N 428.492 4.866 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)cc1 1622928756 JVDUFSFOYODJAG-UHFFFAOYSA-N 425.373 4.778 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1636571165 QSSSLJIPBMDHSO-MSOLQXFVSA-N 429.706 4.883 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1643257202 GEOUBWKPOIJPBU-UYAOXDASSA-N 444.560 4.585 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)s1 1643591155 XWOXWJAMASTFII-WFASDCNBSA-N 445.050 4.665 30 10 IJEE CC[C@@H](C)[C@@H](NCc1cc(C#N)ccc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 1645099637 BQXGBSVQEQYCPQ-FQRUVTKNSA-N 433.596 4.552 30 10 IJEE C=C(C)COc1cc(CN[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)ccc1OC 1651228212 QSPUEXVQIPQFJW-SFHVURJKSA-N 432.483 4.585 30 10 IJEE C=CCC1(CNS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CCCC1 1655318563 HSEMWNZMXKXINJ-UHFFFAOYSA-N 441.416 4.987 30 10 IJEE C=CCn1c(SCCOc2ccccc2C#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1655969652 CBCJKRYNMVORMP-OAHLLOKOSA-N 437.590 4.812 30 10 IJEE C#CCNC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1CC=C 1656002193 KGXMFABQOCASHL-NVXWUHKLSA-N 442.654 4.574 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(NC(=O)CN2CCCCCC2)cc1 1656097096 OGYOJBHBUREOBA-UHFFFAOYSA-N 425.960 4.779 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 1657596112 GFZRZKVVHCXICO-SFTDATJTSA-N 429.568 4.695 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 1665774325 KRROZEXCMVDDJU-IAGOWNOFSA-N 440.401 4.654 30 10 IJEE CCCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C#N)c(Br)c1 1666784996 GFNPBGKOYHANFD-UHFFFAOYSA-N 445.741 4.714 30 10 IJEE Cc1csc(NC(=O)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)c1C#N 1669739815 FORBZGBIVCUKJO-RHSMWYFYSA-N 434.359 4.668 30 10 IJEE CC(=O)c1cc(NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccc1C 1672650831 BZLHAXRHJVCHCX-STQMWFEESA-N 444.322 4.832 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)c1ccc(Cl)cc1F 1674035946 HVDUIKWKDNBWMN-WDJPJFJCSA-N 439.962 4.850 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2cc(Br)ccc2OC(F)F)cc1 1676711007 OLTAMQUTOUBFPR-UHFFFAOYSA-N 441.272 4.615 30 10 IJEE C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)Oc1ccc(Br)cc1 1679356907 GLKLSRKUQGNZEF-TYCQWZJGSA-N 442.357 4.698 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)cc2n1 1680698632 ULCNILRTUZUBTC-UHFFFAOYSA-N 443.482 4.935 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccccc3CN(C)Cc3ccco3)cc21 1680802543 UNKUABXJZFGYDW-UHFFFAOYSA-N 429.524 4.769 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)c1ccc(F)c(F)c1 1681957441 ILQODGKNSKFTEX-GOTSBHOMSA-N 431.527 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCC(F)(F)F 1689836016 XGJLYVMPZBOBDP-LBPRGKRZSA-N 445.283 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](OCC)C1CCCC1 1689867176 POMSOKILHTTYOZ-WSWWRLHASA-N 430.637 4.640 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1689885541 LWWBBPYAJDJMHY-MRXNPFEDSA-N 438.373 4.963 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1689938319 HZFZHIICYGVZDJ-APWZRJJASA-N 431.378 4.658 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1coc(-c2cccs2)n1 1690035533 BYMYTJAIRDXXCN-UHFFFAOYSA-N 447.951 4.826 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCC[C@H]1CCCCO1 1690088571 PYJSPHJFBMFPOO-JOCHJYFZSA-N 436.531 4.975 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1690235619 BPLBDRQYZXXHRR-XZYOPWHXSA-N 426.605 4.849 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CN2CCCCCC2)CC1 1690278648 KRMPTCRPTINGMD-UHFFFAOYSA-N 438.576 4.522 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)Cc1c(C)noc1C 1690337214 HNQJDGKZHUXQOT-UHFFFAOYSA-N 445.951 4.736 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(C(=O)NCC)CCC2)CC1 1690398666 CZBHMOSPKLKLSN-JOCHJYFZSA-N 435.616 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690436499 UHSQAJLYPYUIRG-INIZCTEOSA-N 441.567 4.606 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OCC(F)(F)F)C1CC1 1690543691 MYPJSXZJXGHQTI-UHFFFAOYSA-N 443.473 4.793 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1CC1CC(C)(C)C1 1690569806 MTWLGOFEPDQONN-VWLOTQADSA-N 442.579 4.698 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1690580752 FHTAFDPYVUENCR-FCBCXNLDSA-N 441.664 4.987 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCS[C@@H](CC)C1 1690682761 YLOZCHLWPZLIBS-FQEVSTJZSA-N 435.597 4.593 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@](C)(CC)C1 1690737550 PLHTWWOXCPKHPU-NRFANRHFSA-N 437.009 4.532 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CSCCS2)C1 1692850867 BMTTUOABQPKUER-NQIIRXRSSA-N 448.061 4.501 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCOC(C)C)c1 1693019902 ADKLPGJNUAARSB-UHFFFAOYSA-N 439.604 4.844 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@](C)(C#N)C2)on1 1694294839 HPXSATHICYTMEZ-RUZDIDTESA-N 443.555 4.887 30 10 IJEE COc1cc(Cl)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1697289110 BBEJSYCNEDINJA-QKYXUNIQSA-N 445.995 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705484637 SLRJWJWNEOSDFE-WMUXEFRJSA-N 433.383 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1705505588 LXEWJSMNGNOACK-LJQANCHMSA-N 449.624 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1705671108 WJKCXYPUSTZVAX-SQJMNOBHSA-N 449.002 4.597 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC 1705694572 CLVSMGZILCLRGU-QFBILLFUSA-N 449.393 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCCCC1 1705702985 PZQMXVGVIUCHSE-HXOBKFHXSA-N 430.543 4.897 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1705707215 HDFBRXNTSVPQHD-GNBUJSLZSA-N 445.633 4.636 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(Cl)=C(Cl)C1 1705728724 UFZGWWYGNPAFRT-INIZCTEOSA-N 442.391 4.826 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@@H]2c2ccc(OC)c(OC)c2)nnc1C(C)(C)C 1705740661 RUPVTTHCIPYBOE-LJQANCHMSA-N 428.577 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1705764828 OUXMDLCZPKISOY-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1705789558 OWAUFSNRAUOZOF-UHFFFAOYSA-N 433.556 4.658 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCc2c(ccnc2N(C)C)C1 1705803106 FUFSVPRVWHBZGP-UHFFFAOYSA-N 436.991 4.979 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@](C)(C#N)C1 1705913676 UXAOTZLSDZRIKZ-DEOSSOPVSA-N 433.581 4.674 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1ncc(Cl)n1C 1705942222 KVSIPCZWDVDEFM-UHFFFAOYSA-N 442.976 4.634 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCSC2)cc1 1710533732 DUNBHBRHIHWHBF-IPMKNSEASA-N 443.617 4.698 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722274850 AQWJBCIVANGMEY-CMKODMSKSA-N 433.625 4.908 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC=C)c1ccccc1 1722276394 DRUIOXIENVUAHP-FUHWJXTLSA-N 438.373 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCC[C@@H](C)C1 1722281718 VMUOJMOSNZCQEZ-TZIWHRDSSA-N 444.627 4.770 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)c1cccs1 1722289418 PEQXLUUYKDZNRX-SFHVURJKSA-N 430.581 4.628 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@@H]1C(=C)C 1722300546 ZYIFOQGAUHLLBU-BPYKYCOYSA-N 436.600 4.728 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722327118 MNIWEUJNRPEOAJ-UHFFFAOYSA-N 426.008 4.713 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCC(C)CC1 1722406054 UASOQYHVTLNSJK-UHFFFAOYSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1722408943 YOZCFCPAECGTHU-HXUWFJFHSA-N 444.526 4.637 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1722486090 UZWSVIDRWZRHSF-UHFFFAOYSA-N 432.410 4.622 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](SCC)C1 1722534644 UUDLHEFDNTWPCA-HXUWFJFHSA-N 432.609 4.713 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)CC(C)(C)C1)c1ccccc1 1722596113 CKWMDLOCNURNQB-IRLDBZIGSA-N 435.616 4.633 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1722607173 OMEYCZKOUQZPNN-IBGZPJMESA-N 432.515 4.766 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 1722608805 MDOPRVBDKSFMBY-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722614503 PJRKVOPGVSKYMU-LJQANCHMSA-N 448.615 4.770 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC=CCC1 1722675398 MEGQRSIUTWRBDG-XMMPIXPASA-N 430.600 4.731 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1cccc(F)c1 1722677201 WVWQFLDQXYZZIR-LJQANCHMSA-N 438.547 4.727 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1722677791 FMOAIFMTRZTSIX-GMAHTHKFSA-N 438.616 4.863 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)cc1 1722706535 VESVNWATUOREGA-LJQANCHMSA-N 443.473 4.732 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1ccccn1 1740541172 TVSMWCHRFGNHSF-KRWDZBQOSA-N 431.540 4.908 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)c2cccs2)CC1 1740593419 ZSDYVAQPHORTSQ-UHFFFAOYSA-N 432.593 4.752 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCN1CCCC 1740669128 NSOZVDRGAFQMAN-JOCHJYFZSA-N 446.599 4.714 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1cccs1 1740719387 KXCCCPNZUWIBRM-IBGZPJMESA-N 444.576 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@H](C)C1 1740753140 GDKZTCVUXRITBJ-BXWFABGCSA-N 448.409 4.643 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740780181 ZVKHYMQSLOEWPQ-NRFANRHFSA-N 440.588 4.572 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1740799204 HWJIEHXCSIPMDL-DXBBTUNJSA-N 430.637 4.806 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](F)COC)CC1 1740818147 DFCCKIJNGFNCCH-MJGOQNOKSA-N 436.959 4.829 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(OC(C)C)nc2)CC1 1740836302 SZNUKVYTDNMVEY-UHFFFAOYSA-N 433.556 4.587 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCc2nccs2)CC1 1740842331 VWJDKGMHQJAERR-UHFFFAOYSA-N 441.626 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCCN(c2ccccc2)CC1 1740849888 ZTBPUHHMGQVNAY-UHFFFAOYSA-N 430.600 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1740852755 SHSAWJFDNLKGGX-MSOLQXFVSA-N 429.634 4.887 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740858855 ADMADELERCAIJD-GOSISDBHSA-N 429.996 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(CC)CCOCC1 1740895379 YPHVCLPRBRXFFQ-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCN1CC 1740936522 XWDGMQVVOVUZRK-HSZRJFAPSA-N 444.583 4.519 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1748737149 YAMITHFXAGTXSZ-OFNKIYASSA-N 431.584 4.770 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)c1ccccn1 1748831388 NDVJQOKFYWFLRU-LJQANCHMSA-N 443.620 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1749056327 DTRPEZUFZMLPQG-VHFRWLAGSA-N 449.643 4.704 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1749146752 MCYOOKJXUWQDMG-ATIYNZHBSA-N 438.616 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCn2ccnc21 1749149069 PRCHYYACVAXOPP-QGZVFWFLSA-N 440.979 4.784 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2cc(C)nn2C)CC1 1749294288 VBBFPGZCZNBVJC-UHFFFAOYSA-N 434.588 4.617 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749417763 OMKLWBGKXAGHNB-GOSISDBHSA-N 443.958 4.754 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cnn(CC)c1)C1CC1 1749527716 OTNLUYDNXZUXLI-UHFFFAOYSA-N 434.588 4.574 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCn1c(O)nc2ccccc21 1749544321 DKGDEGNNHWZNKV-UHFFFAOYSA-N 436.585 4.585 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@H](C)C1 1749584364 LAWVGQOGJZDAMD-QFIPXVFZSA-N 444.627 4.616 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1cscc1C 1749585601 BBQLEYXBRISWND-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1749745656 CRLPFBSYBGBJFQ-UYAOXDASSA-N 427.574 4.932 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1749747208 WDVBQSYJZNVJKH-NOVUIFNWSA-N 444.626 4.701 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N(C)Cc1ccc(Br)s1 1749758095 JMHNUUVTFAECQK-UHFFFAOYSA-N 429.453 4.856 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1750228062 GRZNGBPOKQQOGO-IOMROCGXSA-N 439.629 4.885 30 10 IJEE CC(C)Oc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1751030049 AHQYOBOPKKDTSH-UHFFFAOYSA-N 432.572 4.605 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1 1751156404 BJDFBAPWMMTAIX-FQEVSTJZSA-N 448.640 4.679 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(Cc2cccs2)CC1 1752748777 FYAPLDRESAYHLB-DVECYGJZSA-N 440.661 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CCOCC)CCCC1 1760125068 OGAKGWRXUJKPJI-PWRODBHTSA-N 430.637 4.642 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCCN(C(C)C)C(C)C 1760293467 YAVBYAARXRXFSM-HHHXNRCGSA-N 444.627 4.994 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCCN1CCC(C)CC1 1760298527 KXYWZHDNUYCYLC-HHHXNRCGSA-N 449.643 4.670 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCC1(F)F 1760329653 HCAGSGBAAADCEI-RXVVDRJESA-N 426.552 4.547 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1760390981 XAJOFKYQFLNFTG-UHFFFAOYSA-N 447.583 4.656 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)c1ccccc1 1760417615 GDXNWATYTMISTL-KSEOMHKRSA-N 435.616 4.647 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760426621 YPWYKHGSCJPKLS-SFHVURJKSA-N 440.542 4.791 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1760432602 KQAHCTJHJBYPSL-FPOVZHCZSA-N 427.568 4.588 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1cccc(OCC(F)(F)F)c1)C1CC1 1760472892 GUEVMHBVTHYIGC-UHFFFAOYSA-N 443.473 4.793 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(OCC(F)(F)F)c2)C1 1760534802 GMCVPKBTSWGWCS-LPHOPBHVSA-N 438.494 4.562 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2CCC[C@H]21 1760560313 RZONURHDUYJEBB-WMLDXEAASA-N 436.423 4.724 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)C#N 1760690377 CFFQMGQIQDYHBO-OALUTQOASA-N 445.596 4.667 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc(Br)cc1 1761541862 CMEWTLCAPRVXFP-NRFANRHFSA-N 430.394 4.711 30 10 IJEE Cc1cc(=O)c(OCC(=O)OC2CCC(C(C)(C)C)CC2)cn1Cc1ccccc1C#N 1857916008 ZNJVFZDKVKOQFY-UHFFFAOYSA-N 436.552 4.604 30 10 IJEE C[C@@H](Oc1cccnc1NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1 1858840493 MMIPUARNEVZZDZ-CQSZACIVSA-N 435.871 4.657 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861580582 KYBICLLPOYPIQN-UQCBTIDJSA-N 432.605 4.869 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCN(C)C)c1 1862429610 QOKWHWHHVFAPFI-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862446343 QAXPZBNUFWEPHL-OAQYLSRUSA-N 438.911 4.826 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862475736 TUDNFKQQYRNFQJ-DEOSSOPVSA-N 427.500 4.912 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(C)C)cc(Cl)c1O 1862484726 RKLMFXYFIQJJPO-FQEVSTJZSA-N 443.927 4.987 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 1862517850 WTGMQUUGOIGDFK-JOCHJYFZSA-N 435.451 4.986 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1c(Cl)cccc1Cl 1862579096 LCTHZUYTSJDWQT-IBGZPJMESA-N 448.302 4.775 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCN(C)C)cc1 1862649374 WXBGRTLXDCBPGL-DEOSSOPVSA-N 428.532 4.678 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 1862674449 XKCKEKZVCIFFLY-HXUWFJFHSA-N 425.456 4.847 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(Cl)c2)c1 1862700544 JBOOWZPBLYLXRR-NRFANRHFSA-N 443.927 4.742 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc2ccccc12 1862720451 WPXYMHFSMHJGSC-GKVSMKOHSA-N 437.495 4.952 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(C)c3C)C2=O)cc1 1862829358 PEUKJMZSZRTKTB-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE C=CCN1C(=O)C(Nc2cccc3c2CCCC3)=C(c2ccc(Br)cc2)C1=O 1863202065 VWSQNQYWCSUVNK-UHFFFAOYSA-N 437.337 4.706 30 10 IJEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN(C)Cc1ccccc1 1870457022 VBOSSOTUPAZSJP-UHFFFAOYSA-N 438.955 4.778 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 1871438524 CQVHMSSFOVMCEU-KSEXSDGBSA-N 445.446 4.970 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871817985 ZJTNBHLEHKBPDG-HXUWFJFHSA-N 428.598 4.932 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871968826 MWTXEFMSMFADCX-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872110755 OIAYSVHMWCXHQH-KKSFZXQISA-N 445.610 4.850 30 10 IJEE CC(C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4cccc(Cl)c4)cs3)cc2C1=O 1872766956 QWIJRVYFIUFFIK-GOSISDBHSA-N 449.919 4.958 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 1872770637 AMLSCTGJTQVMPU-AWEZNQCLSA-N 443.868 4.879 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c([N+](=O)[O-])cc1OC 1872777116 GXAADYJAPWOYNF-CQSZACIVSA-N 448.460 4.707 30 10 IJEE Cc1ccc(CN=c2nc3c(cnn3-c3ccccc3)c(Nc3ccccc3C#N)[nH]2)cc1 1873477378 MMCDYTDBAXCHJQ-UHFFFAOYSA-N 431.503 4.773 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(N(CCC)CCCC)ncnc21 1873659391 OQSRTPWRXNNZBX-UHFFFAOYSA-N 435.528 4.615 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874213154 YAPHPVYZYQFWGI-HYARGMPZSA-N 445.932 4.846 30 10 IJEE CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cccc(Br)c1 1874306711 LWYDQYYFXNPSHB-HYARGMPZSA-N 445.386 4.829 30 10 IJEE Fc1ccccc1CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccncc1 1874346621 XVUSQEWSERQDIP-WGOQTCKBSA-N 433.512 4.608 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccncc2)c1 1874406926 WXROQGCVAJVCSW-WGOQTCKBSA-N 448.596 4.717 30 10 IJEE Cc1ccsc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H]1CCCO1 1874445533 ZHCRBMABRSJMRU-MBTVCVBTSA-N 429.527 4.582 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874475995 CUQWEALFIXUQCV-OEAKJJBVSA-N 426.542 4.518 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(F)cc1 1874488025 WAOSNCNNDKCLLH-AFUMVMLFSA-N 439.560 4.791 30 10 IJEE COCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Br)cc1 1874498955 HVBDTEWCDURCLV-SRZZPIQSSA-N 431.359 4.670 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874507782 UUYGPWQDOZSEBT-CIAFOILYSA-N 431.359 4.873 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)c1OCc1ccccc1Cl 1874560490 ZUKXUMFOLAJKCE-KCDOPAPYSA-N 444.944 4.542 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1/N=C/c1ccc(Cl)cc1Cl 1874567970 AVPHQSASLXFWLG-SSDVNMTOSA-N 435.336 4.900 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c(OC)c1 1874599189 ZJXSJEWXTYMPSP-LBKOFNPBSA-N 445.515 4.856 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1F 1874621855 YJFPOFLNVMIYJT-MDNBWPLSSA-N 433.479 4.987 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1cccc([N+](=O)[O-])c1 1875128120 OJEXYTJROCOTCO-VAWYXSNFSA-N 433.416 4.727 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(OCC)c2)cc1 1875130834 UOYNHULZYSSUBR-WUXMJOGZSA-N 432.476 4.698 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c([N+](=O)[O-])c2)cc1 1875136103 XJCFXQGCALJVRV-UKTHLTGXSA-N 431.444 4.922 30 10 IJEE CN(CC1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1)c1ncccc1C#N 1890946332 MUFWWIWHJGPXQP-UHFFFAOYSA-N 436.987 4.793 30 10 IJEE O=C(CCc1ccc(OC(F)(F)F)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 1891130539 ROMRUAVDHQHNCH-UHFFFAOYSA-N 445.359 4.735 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)c(Br)cc1F 1894937743 GPWCQRWWONGCGF-DLBZAZTESA-N 431.321 4.685 30 10 IJEE C#Cc1cc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OC 1903076249 VPWUBQKPTRZNOM-UHFFFAOYSA-N 440.499 4.544 30 10 IJEE Cc1ccc(CN2C[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1921510328 YWDXKQXQWXYFOD-FYYLOGMGSA-N 448.460 4.637 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CCOC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 1922076958 JJRJWANWEPWCBU-XMMPIXPASA-N 446.632 4.934 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](Cc1cncs1)NC(=O)OC(C)(C)C 1922091376 IWKDQUHWTMYGAZ-YADHBBJMSA-N 445.629 4.720 30 10 IJEE C[C@](CCc1ccc(C#N)cc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951708630 KSKFUAGKVZITBB-HHHXNRCGSA-N 440.499 4.873 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)CC1 1978439799 AUSDCNBNKXAXDM-HNNXBMFYSA-N 435.487 4.715 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1984725712 NJAWHERIACTJID-RXFWQSSRSA-N 444.575 4.812 30 10 IJEE N#Cc1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1I 2079185636 YCQFFNKRXDXLHS-UHFFFAOYSA-N 449.067 4.525 30 10 IJEE CC[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C)c(C#N)c1I 2079864850 YIOBKSVLRZRQMN-ZDUSSCGKSA-N 437.178 4.825 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 2102880686 RTFSXXSVACPIBO-SJORKVTESA-N 443.813 4.930 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(Br)c1F 2102885011 FXGBAGICDQBFFS-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE CN(CCN(CC(F)(F)F)c1ccc(C#N)c(Br)c1)C(=O)OC(C)(C)C 2118201273 NYOQFUMPEWPMNC-UHFFFAOYSA-N 436.272 4.556 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1c1cc(Br)cc(F)c1C#N 2133667766 XZOUXSBYYKAJKX-GFCCVEGCSA-N 426.330 4.684 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 2145528919 NQUBJHCPYUMUHL-SJORKVTESA-N 441.414 4.574 30 10 IJEE C=CCC1(C(=O)N2CCCc3c(Br)cccc32)CN(C(=O)OC(C)(C)C)C1 2180953801 CIGDSHZLXHFAFB-UHFFFAOYSA-N 435.362 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)C(=O)Nc1ccc(C#N)cc1Br 2181098074 JRMJBEISHFMVFJ-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC[C@@]1(C(=O)Nc2ccc(C#N)cc2Br)CCCCN1C(=O)OC(C)(C)C 2181111423 SSKQFDZQHKPHTR-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE Brc1sc(C#CC[C@@H]2CCCNC2)c(Br)c1Br 2216495102 KDCROMWSNCLRKI-MRVPVSSYSA-N 442.014 4.777 30 10 IJEE C=C(C[C@@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)OC 2237423973 FTUPCCDLHUEFMA-RTBURBONSA-N 441.410 4.803 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C#N 2243924208 CUDPFGJVQANSLK-KBMIEXCESA-N 445.563 4.844 30 10 IJEE CC1(C)OB(c2ccnc(Oc3cccc(Br)c3Cl)c2F)OC1(C)C 2266005621 NIPLJAAGLCLMAC-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(F)cc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2267092648 XLGSREFCNSVBTB-UHFFFAOYSA-N 448.344 4.661 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2282119610 UVDMQKRWNRFHRE-MHZLTWQESA-N 449.400 4.506 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1 2282679939 HDNOZMFLMDFWRP-HSZRJFAPSA-N 449.400 4.504 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(O)C#Cc1ccc(Br)cc1 2296288594 IYBSUDJAGDHWKK-VGSWGCGISA-N 434.374 4.637 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296294570 VUAWFIOCKHMCAL-OALUTQOASA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1cncc(NC(=O)OC(C)(C)C)c1 2296311088 RUHBLZQJECXLMB-LJQANCHMSA-N 430.346 4.893 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)c(OC)c1 2296924047 ONROONPVUBWOCT-HSZRJFAPSA-N 429.472 4.639 30 10 IJEE COc1cccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 2296926509 PXMCXTWXNGPDTL-HXUWFJFHSA-N 446.484 4.833 30 10 IJEE CCCCOc1ccc(C(O)=C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccccc2)cc1C 2297747664 NAUYLZCLROGKBV-QHCPKHFHSA-N 437.536 4.632 30 10 IJEE CC(C)[C@@H](CS)COCc1cc(I)ccc1Br 2302773188 WWXSOKPIZJODPC-LLVKDONJSA-N 429.161 4.772 30 10 IJEE Cc1scc(C(=O)N(Cc2ccccc2)CC2CCC2)c1B1OC(C)(C)C(C)(C)O1 2303615772 PZJLUPJNFIZIHE-UHFFFAOYSA-N 425.403 4.798 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2306612951 ORNAOFBZZYWXOE-DQEYMECFSA-N 428.573 4.699 30 10 IJEE C=CCC(CC=C)[S@@](=N)(=O)c1cc(I)ccc1Br 2316754815 MNCZZCKTISTPDP-GOSISDBHSA-N 440.144 4.980 30 10 IJEE CC(C)(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317346932 PBMMIZSLIYLDNV-WYMLVPIESA-N 432.370 4.798 30 10 IJEE CCn1cc(C=C2Oc3cc(OC(=O)[C@@H]4CCCO4)cc(C)c3C2=O)c2cc(OC)ccc21 2322927139 NEACEPOMLXFYEB-NRFANRHFSA-N 447.487 4.679 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)COc3ccccc3)cc(C)c2C1=O 2322948906 QIVAENRDWJOPDY-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)cc1OC 2323069259 IZZVVRFCAUWJRE-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1Br 2323557726 VCGYSIQETCAPMX-UHFFFAOYSA-N 447.358 4.579 30 10 IJEE N#C[C@H](C(=O)C=Cc1ccc2c(c1)OCCO2)c1nc(-c2c[nH]c3ccccc23)cs1 2324672790 NLJRRWNOIBCRSA-QGZVFWFLSA-N 427.485 4.952 30 10 IJEE Cc1c(OCC(=O)OCC(C)C)ccc2c1OC(=Cc1ccccc1Br)C2=O 2325068657 QZPLAXIDVGJJKD-UHFFFAOYSA-N 445.309 4.952 30 10 IJEE C#CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2326297953 COCVFKWMJXGNOS-SANMLTNESA-N 440.584 4.679 30 10 IJEE COc1ccc(Cc2nnc(SC)n2N=Cc2c(Cl)cccc2Cl)cc1OC 2326719902 LJQWKEOKPPVIDH-UHFFFAOYSA-N 437.352 4.797 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1cccc([N+](=O)[O-])c1 2327266118 SRVLDJXHFUJIBR-UHFFFAOYSA-N 425.514 4.685 30 10 IJEE CCCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2329854629 NCVCHVPYMHPRCX-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330193809 CRGZZGBEUHGRML-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)ccc1[N+](=O)[O-] 2330621788 WMJSGLDQURLYOG-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE COc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3OC)cc2OC)cc1 2331051940 CTDJCJDPMCTKTF-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE OCCCSc1nnc(C2CCCC2)n1N=Cc1cccc(OCc2ccccc2)c1 2331087250 MHEAWBBGKDGICA-UHFFFAOYSA-N 436.581 4.871 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2-c2ccco2)cc1 2331229920 IEKSPEPCHQECPF-SFHVURJKSA-N 445.548 4.698 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)OCC(C)C)cc1 2331470118 JIRCBDBZOJRJKI-UHFFFAOYSA-N 446.617 4.829 30 10 IJEE CCCOc1c(C=Nn2c(COC)nnc2SCc2ccc(F)cc2)cccc1OC 2331554942 SQNJESJTGGFOTF-UHFFFAOYSA-N 444.532 4.536 30 10 IJEE N#Cc1cc(C=O)ccc1Sc1cc(I)ccc1Br 2338399768 SBQNWRGTUTXGPL-UHFFFAOYSA-N 444.091 4.889 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585733 TXGQTGOICSTGMH-KQDNUWKFSA-N 443.397 4.610 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CC[C@H](NC(=O)OC(C)(C)C)C1 2360197690 SFAFDRSKFCOTFJ-IPJJNNNSSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(OC)c(OC)c2)C3=O)cc1 2156043 XGOFJASEJDUOLV-YDZHTSKRSA-N 432.428 4.548 30 10 IJEE Cc1cc(C)cc(NC(=S)/N=C(\Nc2nc(C)cc(C)n2)NC2Cc3ccccc3C2)c1 14159435 JERPOIVBYYSQPU-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN[C@@H](C)C(=O)O 16040151 WSZZGSWXNSKKNT-TZUXDTSZSA-N 431.573 4.727 30 10 IJEE biogenic C#CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OCC 16688872 YDMUUVCCSNWIPJ-UNOMPAQXSA-N 428.410 4.922 30 10 IJEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)ccc1O 21241449 JEUOUKNXYABYJQ-ICSRJNTNSA-N 435.520 4.582 30 10 IJEE Cc1ccc(-n2c(SCCOc3ccc(C#N)cc3)nnc2-c2ccncc2)cc1C 36855718 NKMDJZDVLSMTNG-UHFFFAOYSA-N 427.533 4.989 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc21 38707851 ODDQQJJHGOLZBG-UHFFFAOYSA-N 436.552 4.939 30 10 IJEE CCN/C(=N\c1ccc(F)cc1)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 59446661 OMJNQAZBFLSFLO-INIZCTEOSA-N 440.327 4.795 30 10 IJEE COc1cccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2)c1 66437751 JIGKGEWATNJDJR-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE biogenic COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2ccc(C)c(C)c2)N(C)C1=O 96514185 ZXBNHEXWUMRTNU-QCLNCQLRSA-N 431.945 4.556 30 10 IJEE CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2cccs2)C1=O 103707076 OXSSNIDKCTVGAT-GHRIWEEISA-N 441.574 4.907 30 10 IJEE COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)cc1OCc1ccc(C)cc1 169905249 UJBLUWRBWQVULU-MFKUBSTISA-N 438.549 4.512 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 169953179 ODGVLSXALIRHHC-QHCPKHFHSA-N 428.488 4.544 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(C)c2)c1 169972871 RNIVLQKTZSHJEC-XMMPIXPASA-N 443.499 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccs1)c1ccc2c(c1)OCO2 169983978 KVCQWWKIHLYFDZ-IBGZPJMESA-N 441.411 4.538 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccncc2)c1 170024524 GNIUDTBPTQXBQP-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2c[nH]c3ccccc23)c1 170077853 ISYRKYGVYSYHKC-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(C)o1 170102717 YLVWYLGMTOWBOI-JOCHJYFZSA-N 435.451 4.557 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)ccc1Cl 170144511 JJQBNJFSDUWHGH-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)cc1C(C)(C)C 170177865 DWAKLVYCJLZDGV-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)c1 170332117 XJASVFXKVOTSJR-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170409796 KSNAMSXSRYYTFH-HSZRJFAPSA-N 439.471 4.525 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(N(C)C)cc1 170412442 IGNIEXPBEXMIKO-QFIPXVFZSA-N 448.544 4.601 30 10 IJEE C=C(COCCC)[C@H](NCC)c1cc(Br)ccc1I 387485899 XINPFUDUSOEAIB-HNNXBMFYSA-N 438.147 4.687 30 10 IJEE C=CCSc1ccccc1NC(=O)CNc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 435886905 CVNGJQKVBLMGIJ-UHFFFAOYSA-N 449.498 4.857 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 464929881 AIYOSYZRYWWELN-UHFFFAOYSA-N 431.536 4.524 30 10 IJEE COc1cccc(C2=CCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)c1 470529554 DXOPABYALKRIDY-UHFFFAOYSA-N 444.535 4.599 30 10 IJEE COc1cccc(C=C2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)c1 472928316 GFBDWMIBKGNSFY-HXUWFJFHSA-N 433.552 4.518 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 475565580 XCDXOEKSQNDQKK-GOSISDBHSA-N 448.567 4.766 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccnc2)c1OC 526522313 PWHQZAAUWJVSMF-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(OC)cc1 526831625 UZBIFDZWTJNTOB-QRVIBDJDSA-N 442.541 4.572 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)N(CC)CC)CC1 558992921 GLFNUNQBHMHWBQ-UHFFFAOYSA-N 431.584 4.759 30 10 IJEE COc1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)cc1OC 586221960 UAIPAXVESXQCQI-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccc(C)cc2)cc1 610030746 XIOMSZIZOCUMIT-SFHVURJKSA-N 443.503 4.526 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2)cc1OC 619818482 PPELRPLXXODOPO-AREMUKBSSA-N 445.567 4.921 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@H](C4CCCC4)CS3)COC2)cc1 705691024 DIQOZWBVXKDITC-DEOSSOPVSA-N 435.637 4.709 30 10 IJEE N#Cc1ccc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(F)c1Br 715062577 OKDDCBQNBAUMJO-RTBURBONSA-N 428.349 4.951 30 10 IJEE N#CCOc1ccc(Cl)cc1CSCc1csc(-c2ccc(C(N)=O)cc2)n1 735319308 YRHJTUPJDREIIQ-UHFFFAOYSA-N 429.954 4.898 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)C(C)C)c1 739627249 KAPOKZMZXIMNKQ-KRWDZBQOSA-N 434.989 4.743 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC(OC3CCCC3)CC2)c1=S 764944204 CPGZGWINSBQIQN-UHFFFAOYSA-N 442.629 4.869 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CCOC 812158008 AUABKNPEMSWCDP-ZEQRLZLVSA-N 432.568 4.752 30 10 IJEE Cc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)c1 1084246568 AOZZJHWCEVIHPU-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1nc(Cc2ccc(Br)cc2)cs1 1125170131 MHQRNBPZKSEBAL-UHFFFAOYSA-N 430.327 4.709 30 10 IJEE C=CCOc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 1125352697 DXBFMUHOZCVASW-UHFFFAOYSA-N 432.505 4.823 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)CCCN1C(=O)OC(C)(C)C 1127824479 VIRMMZUBIGRRAG-RUZDIDTESA-N 438.572 4.602 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(OCCOc2ccccc2)cc1)c1ccc(Cl)cc1F 1129616840 WYCSFHZDXHGAQA-XMMPIXPASA-N 437.898 4.970 30 10 IJEE Cc1ccc(OCCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(Br)c1 1134494865 DTGBBAQDNYGFKZ-UHFFFAOYSA-N 427.342 4.804 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2c(Cl)cccc2C(F)(F)F)CC1 1135982354 HWICZLHIUDMFOS-KRWDZBQOSA-N 425.813 4.521 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1OC 1154584222 XWBNNNLUKBINNU-YPYHBOLGSA-N 448.346 4.697 30 10 IJEE C=C(C)CN(CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)Cc1cnn(C(C)C)c1 1194267761 AYGNEBZFAYMKLA-UHFFFAOYSA-N 437.613 4.837 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 1208449589 RLDISZDMKPIHMG-UHFFFAOYSA-N 434.561 4.844 30 10 IJEE COc1cc2c(cc1Cl)CN(C(=O)Nc1ccc(Oc3ccc(C#N)cn3)cc1)CC2 1214964977 AZLVULSYDUGAKO-UHFFFAOYSA-N 434.883 4.998 30 10 IJEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1220129387 PFYQTIRPPWQNDK-GOSISDBHSA-N 435.362 4.664 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC 1251830853 NIYZTRJJBVGRFV-LPPUWEFUSA-N 434.628 4.819 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3ccc(Br)cc3s2)c(OC)c1 1264142657 KYERYBGHBMHSES-UHFFFAOYSA-N 433.327 4.813 30 10 IJEE C#CCN(C(=O)Cc1ccc(C)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1265209776 ITUJVVUSLOQVGO-LJQANCHMSA-N 432.745 4.939 30 10 IJEE Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(C#N)c(Br)c1 1272170999 HXVQMPPWQPMISD-UHFFFAOYSA-N 443.732 4.958 30 10 IJEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 1273658040 DSYBUCHKXGQCCR-UHFFFAOYSA-N 430.855 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(SC)CCN(C)CC1 1286282115 NZJCKUAZAGZYES-IBGZPJMESA-N 439.673 4.528 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C1CCC2(CC1)OCCO2 1286586132 WZNHPBLRBWHZIG-FQEVSTJZSA-N 440.588 4.733 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1286601168 HVSIVGSMFQCRRR-RBBKRZOGSA-N 437.588 4.509 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)CCCCC)CC1 1286622742 ZWUBTGRDAHQCML-UHFFFAOYSA-N 444.023 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286673550 WPSUYUAPURKNJK-QFIPXVFZSA-N 448.615 4.826 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286682941 YJAXIDYKVVZFSH-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1286718579 OPKWJIFAGMPNEI-JTSKRJEESA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1(O)CCCCCC1 1286738869 GWPXNCFMOKHMOW-UHFFFAOYSA-N 426.605 4.862 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@@H](OCC(C)C)C2)cc1 1286795027 VLHQDSQNICNACX-HSZRJFAPSA-N 447.583 4.513 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)c1 1293816675 QQQPIAHAMHSRHY-HXUWFJFHSA-N 434.989 4.712 30 10 IJEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccnc1)C(C)C 1295744179 FCNHDMUXUVDVCY-ZEQRLZLVSA-N 444.583 4.657 30 10 IJEE N#Cc1cnn(-c2ccccc2NC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)c1N 1297630957 GLVMODXKYOFSOM-UHFFFAOYSA-N 443.894 4.811 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OCC2CC2)nc1 1300282358 OFDUYKMTVMWTON-LJQANCHMSA-N 443.595 4.933 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1cc(C(CC)CC)no1 1300292935 MIDZWWZKWRWBST-KRWDZBQOSA-N 428.540 4.891 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1300349582 VBMKNLNHHCYTNY-QFIPXVFZSA-N 447.558 4.893 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCN1CCC(C)CC1 1300441660 VWTNDAJQNBIXRR-HXUWFJFHSA-N 439.673 4.713 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1300601522 IZGPSYBJAVHGOV-PMACEKPBSA-N 441.595 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1300888157 IHEVMTSLUBZFQI-SJBKTWHCSA-N 443.661 4.915 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C 1300895710 BBUWGCGXLRCELY-RHSMWYFYSA-N 437.382 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCCCCCC1 1300896530 GOYSZCPRFASSIK-YKSBVNFPSA-N 440.588 4.617 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1300981406 ZUAIRHPCVXHYJV-VQTJNVASSA-N 440.588 4.572 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1300993541 BVMNCKAHQNJGFP-SFHVURJKSA-N 448.905 4.635 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(C)o1 1300994133 MYBHFBNYTKIAQS-NRFANRHFSA-N 436.556 4.713 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1301186138 RDOZKGBUCBSVQL-KDURUIRLSA-N 434.588 4.684 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC(CC)CC1 1301215955 ADGQVFQRZIBCCB-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCCC2(CCOCC2)C1 1301234367 JGWQMQFZTPWBES-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1csc(C(C)C)n1 1301363106 OUNNNKVWVBDRMH-QGZVFWFLSA-N 443.642 4.859 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(CC)CC)CC1 1301601578 QMSIDODKTOECIJ-UHFFFAOYSA-N 439.629 4.921 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1301620282 DQEZJNXOIIUUBM-DENIHFKCSA-N 442.629 4.944 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(COc2ccccc2)cs1 1301792416 CDTOTSVBSPPELP-UHFFFAOYSA-N 432.505 4.725 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)c1ncc(C)s1 1302718786 AUYKVPMWFALOQQ-JKSUJKDBSA-N 440.642 4.963 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1)OC 1305358059 FRFMLAXTMQKMQR-JPYJTQIMSA-N 439.604 4.665 30 10 IJEE C=CCCC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCC3 1307259861 YITMQKAIXFMEBF-UHFFFAOYSA-N 426.563 4.572 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccc(NC(=O)CC)c2)cc1OC 1308205262 UUXKHMZHNJMNIM-UHFFFAOYSA-N 433.346 4.661 30 10 IJEE C#CCOc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1 1308409276 NUYUORMQCNNAPE-UHFFFAOYSA-N 437.543 4.909 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1310833907 FFUBFEDJBZGMKP-TZIWHRDSSA-N 441.535 4.635 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 1312308643 GMYIYGIDVFOIHP-FUHWJXTLSA-N 448.514 4.806 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cnn(-c2cccc(Br)c2)c1C 1351693267 MKLYEUKGOYEQTH-UHFFFAOYSA-N 427.298 4.900 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)CCCN1C(=O)OC(C)(C)C 1353765080 YTGVERKFOHDTTL-FNZWTVRRSA-N 439.600 4.650 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(Cl)c2c(c1)OCCO2 1356475208 YZVGCSIKLQZPOZ-UHFFFAOYSA-N 427.806 4.625 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC)CCCC)c1 1357421747 DHTDPETZKSSKBF-UHFFFAOYSA-N 434.989 4.984 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccccc2)CCC1 1358998996 ZFPHDHXSRZAHNU-DNQXCXABSA-N 444.623 4.782 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN1CCCC 1359015995 LOPBSLDFPGDIQN-HSZRJFAPSA-N 448.590 4.707 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1359182210 WYZKMIQXCHFDTQ-NHCUHLMSSA-N 426.630 4.832 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359199392 UHKOGQUTMOWWAM-ZWKOTPCHSA-N 446.437 4.983 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc2c(n1)CCCC2 1359231278 RYHIFQOFCJYVEC-LJQANCHMSA-N 447.583 4.761 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1359238752 VNOXNKJRLVNTKT-PMACEKPBSA-N 434.588 4.590 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1437616293 CFAPPGRKWUOIAO-XXBNENTESA-N 438.593 4.693 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2c3c(nn2-c2ccc(C)cc2)CCCC3)c(OC)c1 1438386395 UJPCPNBWHCBPFU-UHFFFAOYSA-N 431.536 4.814 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 1440831710 FOSCTICWACETRC-HXUWFJFHSA-N 431.964 4.910 30 10 IJEE Cc1cc(NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n2c(nc3ccccc32)c1C#N 1458201307 GWBGAWZNBGFWGO-JXFKEZNVSA-N 449.555 4.840 30 10 IJEE C=CCn1c(SCc2nc(C)cc(O)n2)nc2scc(-c3ccc(C)cc3)c2c1=O 1458732686 PVORFWSTUSKMCM-UHFFFAOYSA-N 436.562 4.716 30 10 IJEE CCSc1ccc(CN2CCN(c3ccc(F)cc3C#N)CC2)c(Br)c1 1460634318 CZHRBAWXDRZFAQ-UHFFFAOYSA-N 434.378 4.894 30 10 IJEE Cc1cc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)ccc1Br 1460731768 DFBIHGOPEWLZPA-UHFFFAOYSA-N 425.282 4.731 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)c1ccc(F)cc1 1460785476 DXLJLCKKUVCFLZ-QFIPXVFZSA-N 449.526 4.800 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)C1 1461143136 WYEDYBVBGCBZLU-AWEZNQCLSA-N 441.314 4.670 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCCC3=O)c(F)c2)cc1OC 1461319799 MSXFXHGESITJCR-UHFFFAOYSA-N 449.320 4.901 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C 1464360864 SGPCPGSIEQMDGW-GOSISDBHSA-N 439.556 4.637 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1467701908 FEQYJEJBACHEKD-FGZHOGPDSA-N 445.519 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1468473331 SMVOSSLELMBOBA-UHFFFAOYSA-N 441.547 4.791 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2c(Cl)cccc2Cl)CC1 1472916442 FVJAFVYXMWUEFR-GOSISDBHSA-N 438.355 4.634 30 10 IJEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1505324789 BYUAPVJETSLLKA-HXUWFJFHSA-N 428.531 4.610 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC2CCC(F)(F)CC2)c1 1507546240 DYZPZGYKQWFBRZ-KRWDZBQOSA-N 443.542 4.673 30 10 IJEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)Cc1ccc(Cl)s1 1507580054 QDQMVVVAAMGFKY-UHFFFAOYSA-N 442.972 4.871 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC(c2ncc(C)s2)CC1 1507749397 ZQGBJRMSXCHCKO-UHFFFAOYSA-N 437.638 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(C)C)CC1 1507794262 DREWUQQWAUIXAJ-KNQAVFIVSA-N 444.023 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC)(CC)C1 1507811241 OXECVIUYRFVRBK-CVDCTZTESA-N 442.579 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC1CCN(CC)CC1 1507819100 NYVGFCOFPMPYLP-UHFFFAOYSA-N 447.631 4.860 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1507866302 BJLWWPLBJSLNQK-UHFFFAOYSA-N 441.938 4.512 30 10 IJEE C=C(Cl)Cn1c(N(C)C/C(C)=C\c2ccccc2)nnc1[C@@]1(OC(C)C)CCOC1 1507874208 HJMSSZNIJJXIET-IUZFBFHQSA-N 430.980 4.611 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCCC2)CC1 1507943072 WEDREACMRZXIEA-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCSCC(F)(F)F 1507975651 VBVXEPYENXIGID-UHFFFAOYSA-N 435.313 4.625 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCN1CC 1507985458 FBIFKZHXPHFPPA-NRFANRHFSA-N 425.621 4.786 30 10 IJEE C=CCN(c1nnc(Cc2cccnc2)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1507997189 RMCOIQPWCUKFKR-UHFFFAOYSA-N 445.901 4.722 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCCCC2)nc1 1508021365 VVMXGCBRCLPREF-UHFFFAOYSA-N 446.574 4.620 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1508118392 VJYBYUZDWMLAHM-AZUAARDMSA-N 432.515 4.561 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)[C@@H](C)CC)C1 1516904189 BDEUSLDDBNDOBT-SNYIIPAISA-N 441.645 4.726 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1517105325 FWMRNNKQTLAYDI-PKTZIBPZSA-N 444.583 4.689 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-n2nccc2C)cc1 1520237028 RVYMPUWUBAHWIS-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2)N(CC)CC)CCCN1C(=O)OC(C)(C)C 1521895610 JQUWWHXLHSTQFC-BWKNWUBXSA-N 429.605 4.532 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1 1521967497 BXEQHNJEMMPLMT-UHFFFAOYSA-N 432.472 4.652 30 10 IJEE N#Cc1cccc(C2(NC(=O)c3ccc(Cn4cc(Cl)c(C(F)(F)F)n4)cc3)CC2)c1 1525726406 HTJKXEDKTJIJQS-UHFFFAOYSA-N 444.844 4.894 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccs2)cc1 1526222662 DMJRDKAQANBQGA-DHIUTWEWSA-N 445.588 4.518 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc(C(=O)c3cccc4ccccc34)cn2C)cc1 1527700030 KOEQFOZROLTSFD-UHFFFAOYSA-N 437.499 4.577 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1c(C)c2cc(Br)ccc2oc1=O 1528290381 BVIYSKDEWFEQNM-QGZVFWFLSA-N 426.310 4.781 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)Cc3ccc(Br)cc3Cl)CC2)c1 1528805039 ANQGGUIZZGDGSE-UHFFFAOYSA-N 433.733 4.587 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc2ccccc2n1Cc1cccc(OC)c1 1529654381 FTBGLVLZVBRTRT-UHFFFAOYSA-N 443.503 4.919 30 10 IJEE CC(=O)Nc1cc(Cl)c(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c(Cl)c1 1529974554 FLJPHEYDDLUSCI-UHFFFAOYSA-N 428.279 4.570 30 10 IJEE C#C[C@H](NC(=O)c1cccc(-n2nc(C)c(CC)c2C)c1)c1ccc(Br)cc1 1535483682 PYAWZLLJHZPVOP-QFIPXVFZSA-N 436.353 4.918 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 1537041831 GLFGGEYIIOFCPA-CQSZACIVSA-N 433.430 4.610 30 10 IJEE CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1537396217 DCIOXIYRUULTPN-QGZVFWFLSA-N 433.449 4.680 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1)[C@@H]1CCOc2ccc(Br)cc21 1538198282 GJMVKPBXIKUPFM-IFXJQAMLSA-N 448.744 4.855 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3cccc4ccccc34)C(F)(F)F)cc2C1=O 1538225808 PSICWDPLNNDPNT-HXUWFJFHSA-N 438.405 4.655 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCCN1CC 1538976150 JIXROIWLDPJWPZ-RDPSFJRHSA-N 444.627 4.685 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccccc2Br)nnc1C(C)(C)C 1539642129 PDLGSYYUDQRFQB-IEBWSBKVSA-N 447.421 4.956 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CCc1ccc(OC(F)(F)F)cc1 1539659631 FMTRHXJASSRXDG-UHFFFAOYSA-N 433.478 4.827 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCN2CCCC[C@H]2C)CC1 1539855631 AHZDIOCYFOXBLN-HSZRJFAPSA-N 437.632 4.977 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1539855777 GQWKFBMGSMASTF-JOCHJYFZSA-N 435.572 4.526 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1539888179 MVHNADYLSNKIHL-UNMCSNQZSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1539975540 VTXRUGLNBCRNHD-AABGKKOBSA-N 445.633 4.507 30 10 IJEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C1CCCCC1 1540037708 PIHGUUSZDDYTCD-QFIPXVFZSA-N 426.561 4.542 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC1 1540067260 CFTDQSQPEWDHLD-UHFFFAOYSA-N 440.546 4.706 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H]1OC 1540162081 LFVLUOVQYOTRMU-VQIMIIECSA-N 431.378 4.701 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C3CCCC3)CC2)cc1 1540877742 DMIWNNWKFBFWRI-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCCS2)C1 1540884797 UZNGFONSOWDPKM-IPMKNSEASA-N 446.592 4.624 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCS[C@H](C(C)C)C1 1540919964 JYHZNUSHKDOLAI-FQEVSTJZSA-N 432.659 4.663 30 10 IJEE CC(C)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 1541420341 DIKDKUSIHWZQFR-VQIMIIECSA-N 447.505 4.799 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNc1ncc(Cl)cc1Cl 1541535067 ALQOFEGOWLUTGS-UHFFFAOYSA-N 444.370 4.723 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3cc(Br)sc3[nH]2)cc(OC)c1OC 1542445471 GUISCBXDLNEMAM-UHFFFAOYSA-N 435.343 4.668 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CCCC1(C)C 1542578678 HPIVWHPMJVMTJK-JOCHJYFZSA-N 426.582 4.719 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc(Cl)cc1 1563436460 CDRYPMUXOCTDIT-PMACEKPBSA-N 434.342 4.943 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1ccc(F)cc1Cl 1565747886 LWPLKDOXJVCPKR-MRXNPFEDSA-N 433.351 4.909 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1585978691 KRQPZUJAOKXBEM-GOSISDBHSA-N 440.499 4.564 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)c(F)c1 1587798574 LZZMYRIYISGJGC-DENIHFKCSA-N 442.579 4.784 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCc1ccc(Cl)cc1 1589228393 MSDQJIXFMBOKTA-JOCHJYFZSA-N 425.989 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1589567555 FBCMFEWJOUGNCV-VTKNMLBTSA-N 438.616 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2[nH]c(C)c(C)c2c1 1589687929 UCOLFTRLEPUPDG-UHFFFAOYSA-N 431.588 4.689 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1593671987 WFUVDHWTYUVWDT-OAQYLSRUSA-N 438.616 4.984 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)COc2ccccc2OC)CC1 1594236975 LDBJUZOHXVKFSO-CVDCTZTESA-N 440.588 4.646 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1594492065 RVLMSBFQCDRNDX-ACRUOGEOSA-N 445.652 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCCOC2)C1 1594529164 RFOQCCURQIJVNF-XMMPIXPASA-N 428.552 4.605 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1594761368 ZNRUWLXHRJRATI-QFIPXVFZSA-N 434.588 4.787 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCn1ccnc1C)C1CC1 1595070989 UHZFRUNJPWKSKN-UHFFFAOYSA-N 428.993 4.584 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1Cc1oc(CC)nc1C 1595250538 GBAAVRYZLGXNJG-UHFFFAOYSA-N 431.540 4.989 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@H]1OCC[C@H]1C 1595251066 NWVBTOZUPDXJRT-DYESRHJHSA-N 426.948 4.852 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](c2ccccc2OC)C1 1595871527 UPCDNDAQXITOGB-IBGZPJMESA-N 435.597 4.570 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1595895173 IAYCMERACQAVPP-JOCHJYFZSA-N 426.630 4.816 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)C#N 1614534726 DUVNSACBEGZLRP-CTNGQTDRSA-N 434.588 4.942 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-c3ccccc3F)nn2)CCCN1C(=O)OC(C)(C)C 1617060655 ZMPAZVXISXNNAH-HSZRJFAPSA-N 426.492 4.567 30 10 IJEE C=CCOc1c(Br)cc(CN[C@]2(C)CCN(Cc3ccccc3)C2)cc1OC 1620990211 JOCXAXRAUDFDBY-HSZRJFAPSA-N 445.401 4.777 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1624793322 DCCZXRXOZVETMC-DEOSSOPVSA-N 433.914 4.831 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1624919122 XAXWKQSZFMDSSW-QHCPKHFHSA-N 447.535 4.577 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1OC 1625538529 KDFJVYWGRTXKOP-CTNGQTDRSA-N 431.330 4.874 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1)c1ccc(F)c(F)c1 1625548601 QJXAXVIWEBRNMC-KRWDZBQOSA-N 448.413 4.582 30 10 IJEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(Cl)cc1 1625822083 YSJDYKVEAYURJI-QFIPXVFZSA-N 438.936 4.554 30 10 IJEE CC1(C(=O)NCCc2ncc(-c3ccccc3)[nH]2)CCN(c2ccc(Cl)cc2C#N)CC1 1634319550 DCDBYNJPIAYNJV-UHFFFAOYSA-N 447.970 4.567 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(Cc4ccc(Cl)cc4)CC3)n[nH]2)c1C 1635848565 HKUCJRPTZDTPOQ-UHFFFAOYSA-N 437.975 4.824 30 10 IJEE CC[C@@H](C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)N(C)C(=O)OC(C)(C)C 1638616303 HMVHMRWAIQXYBQ-YOEHRIQHSA-N 427.467 4.592 30 10 IJEE CC(C)(C)c1ccc(-c2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)o2)cc1 1639973526 CUGZFQQUMGNUIN-JOCHJYFZSA-N 441.531 4.647 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1c(C)nn(-c2ccccc2C)c1C 1641591709 IIEMPZFHCOYHJG-OAQYLSRUSA-N 436.625 4.894 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)cc1C 1643881977 BFRDSTGXWIZDPV-YADARESESA-N 425.960 4.666 30 10 IJEE Cc1ccc(-c2cc(NC(=O)CSc3cccnc3C#N)n(-c3ccccc3)n2)cc1 1643924352 DEXLUBCVIVURTN-UHFFFAOYSA-N 425.517 4.845 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 1644356018 ADWIKACXKKONNO-UHFFFAOYSA-N 447.922 4.623 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCCC[C@H]1C 1649538836 IMEMSHKTTJKMOG-FCHUYYIVSA-N 444.627 4.914 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1657631960 HXEJXLZYZJKFBG-SANMLTNESA-N 433.502 4.926 30 10 IJEE N#Cc1ccc(Br)c(CN(CCn2ccnc2)Cc2cccc(Cl)c2)c1 1658014741 GKFXQHVWKKUOHB-UHFFFAOYSA-N 429.749 4.873 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)cc1 1658516197 IJIKYSVUMLPWCW-SFHVURJKSA-N 434.309 4.777 30 10 IJEE C=C(Cl)C[C@@H](NCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)C(=O)OCC 1659832985 XZTKCPLIELUMDR-QGZVFWFLSA-N 442.368 4.645 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C)c(I)c1)c1ccccc1 1662962056 XUVBWQVOHLUSMU-SFHVURJKSA-N 441.334 4.585 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)c1 1667082947 NYBSBEQIFGUKQD-IBGZPJMESA-N 441.572 4.638 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1nc2ccc(I)cc2s1 1670488830 GQBCYMNRAIZVEG-LBPRGKRZSA-N 427.311 4.863 30 10 IJEE CCN(CC1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1)C(=O)OC(C)(C)C 1673743661 GAUZXDLPPLNYSK-JOCHJYFZSA-N 440.588 4.614 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(C)(C)C(O)(CC)CC 1674332026 IGERZSWEMFDZNT-UHFFFAOYSA-N 429.374 4.863 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)cc(OC)c1OC 1676275593 XYJGUHCKLPUGBS-INIZCTEOSA-N 428.960 4.957 30 10 IJEE CC(C)(CNC(=O)Nc1ccc(Br)c(C#N)n1)c1ccc(C(F)(F)F)cc1 1679661219 GVFISACFSQQTQK-UHFFFAOYSA-N 441.251 4.834 30 10 IJEE Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 1680622434 GAZNSABYQXQXKJ-MXXWWZHRSA-N 432.568 4.929 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc(Cl)cc1F 1681975199 PCTSDXOUGKWIFQ-MORSLUCNSA-N 439.687 4.910 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1686027509 RPWTYQJBLQHPBB-SFHVURJKSA-N 436.394 4.545 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nccs2)C1 1689876805 IZDAYPXXOZLHHT-SFTDATJTSA-N 435.597 4.658 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(F)cc1 1690006552 SKHPGRUEKCSZKN-SFHVURJKSA-N 432.568 4.586 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(C)(C)C 1690305570 CUNSPPHHRQJMKN-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@H](C)N(C)C)CC1 1690368870 OVCUDMGZOFRLDM-KRWDZBQOSA-N 425.577 4.919 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)C2CCCC2)CC1 1690369674 SZXOUCVCKCEJQO-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1690410104 AHJDPVKKEXQDBH-UHFFFAOYSA-N 432.515 4.996 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ncn(C)n1 1690447793 XIZKROFQBCXGFO-UHFFFAOYSA-N 439.633 4.635 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCCC2)CC1 1690503995 VEBFZSLKBGVTSN-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1CCc1ccc(Br)s1)C1CC1 1690542195 GHDVTJXPYWQDJP-UHFFFAOYSA-N 430.375 4.562 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC#N)CC1 1690750570 MVEGOGYPDQDRJT-UHFFFAOYSA-N 427.643 4.928 30 10 IJEE CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1694265968 BATMVNCAWKHYDJ-UHFFFAOYSA-N 444.583 4.654 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)C)nc1 1695706079 BYURVZOKUBJREP-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CCC)CC1 1705503419 WNBKYJOIQHYRCQ-MRXNPFEDSA-N 431.378 4.658 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1705510443 PYRWWHFQHOFAMB-CTNGQTDRSA-N 440.563 4.614 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1705526425 JWHWVCNOMWXZGE-LJQANCHMSA-N 439.922 4.594 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](OCC)C1 1705654881 WJXFXLQBMZLVJM-MJGOQNOKSA-N 444.670 4.503 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1705656030 PARZNOKCHNVCNC-FXAWDEMLSA-N 438.000 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)c1nccs1 1705668509 NSQRBSJAELYVII-SEPYTNNBSA-N 439.560 4.810 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCOC(C)(C)C 1705695332 IFHVLKGFLMHQRM-FCHUYYIVSA-N 426.605 4.740 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(CCc1cccc(F)c1)C1CC1 1705703087 QJYQOBPVOQSMDN-RDPSFJRHSA-N 426.580 4.808 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCSC(F)(F)F)CC1 1705772069 HMBQPFQOYDMBLN-UHFFFAOYSA-N 426.508 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@H](C)c2cccc(O)c2)nnc1[C@]1(OC(C)C)CCOC1 1705802606 PRTIWVCNOPSJHJ-CLOONOSVSA-N 442.604 4.824 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCc2ccc(Br)cc2C1 1705815915 NTFCOOKKZUVZMF-UHFFFAOYSA-N 426.362 4.575 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705820385 KTTXWXPPJAUIFO-LJQANCHMSA-N 445.995 4.592 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)cc2F)C1 1705920814 FRCZQMMEYDFKDD-QGZVFWFLSA-N 448.329 4.616 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nnc(C(C)(C)C)s1 1706069967 FRKAJPMWNDKDRL-GFCCVEGCSA-N 447.971 4.531 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2nccs2)CC1 1706241945 GXMLVLNJIXYYSQ-UHFFFAOYSA-N 449.628 4.672 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1C(C)C 1722452210 MZQNONVQBGFOBF-GOSISDBHSA-N 433.419 4.699 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H](C)c1cccs1 1722462662 QDZHUWMBFLIBPM-SFHVURJKSA-N 426.611 4.791 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)C/C(C)=C\c1ccccc1 1722483613 QAXPTHPQVHQACX-KVVHSQDJSA-N 431.378 4.620 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1SC 1722495388 HJLPCPVHTJJGKE-KNQAVFIVSA-N 435.597 4.680 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2cc(Cl)ccc2C1 1722518740 JOPZIGIOJJRLMU-UHFFFAOYSA-N 446.780 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1722584035 APZSDCIULRMKDU-QGZVFWFLSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1722591964 OYDPGCQPUJWDGB-UHFFFAOYSA-N 426.605 4.874 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2ncc(C)s2)CC1 1722592472 VOJNNMKYCLZXHL-LJQANCHMSA-N 429.634 4.923 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCSC1 1722595080 JLTYSUWLEJPYJT-XMMPIXPASA-N 437.613 4.544 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@@H](C)C1 1722600460 NNZUZZKLJAKCEL-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 1722625729 WNRCLWFVKBFAOC-IBGZPJMESA-N 436.959 4.582 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC)nc1OC)C1CC1 1722646053 GEOGFVJOUNCQHG-UHFFFAOYSA-N 447.583 4.858 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1722652718 NIYDMIUTFDZABV-RTBURBONSA-N 428.024 4.798 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1722662687 LJYGZEUMYKUHLA-NRSPTQNISA-N 430.618 4.835 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccsc1)N(C)C 1727113844 DIDFOVUXLKQVKC-XZOQPEGZSA-N 448.640 4.924 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H]2C)CCCCC1 1730648576 GOZLNCYSDMOFIU-FQEVSTJZSA-N 437.588 4.704 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCn2ccnc21 1740666313 KRVOYRQEEZYOMK-JOCHJYFZSA-N 446.599 4.604 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@](C)(O)[C@@H](C)CC 1740678814 JGMXGSUGVJJOCZ-DFBJGRDBSA-N 426.580 4.587 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1740715139 DTJYZDBXSZIMKX-GOSISDBHSA-N 431.565 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1c(F)cc(F)c(F)c1F 1740734042 XWNXGONGIOBIGV-OAQYLSRUSA-N 434.462 4.527 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](COC)C1 1740787099 AFKGJYYKWAUXQO-MRXNPFEDSA-N 447.004 4.879 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740847008 UOGCTCVSFMXLPA-UHFFFAOYSA-N 445.489 4.767 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740852569 PLRWTKHTAZTEHM-PLACYPQZSA-N 431.669 4.718 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1743068167 GOPHBYMWKQQKCD-QFIPXVFZSA-N 448.659 4.704 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCS[C@@H](C(C)C)C1 1748727403 REEPZOSRYGKOJN-JOCHJYFZSA-N 426.630 4.801 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCS1 1748868989 PLAKUUWPJBSUSE-QHCPKHFHSA-N 443.620 4.711 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@](C)(O)c1cc(C)oc1C 1748940830 ROMFBCXARZMKTQ-NSYGIPOTSA-N 438.547 4.688 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2CCCC[C@H]2C1 1749026817 QPZGHGZSMKUEAR-MSOLQXFVSA-N 445.032 4.990 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@@H](OC)c1ccc(Cl)cc1 1749066098 GZPMNWUGNJSPSB-TXTKFYIRSA-N 428.964 4.553 30 10 IJEE COC[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(C#N)C1 1749296914 FIZWZRNAALGELF-UZUQRXQVSA-N 427.618 4.688 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 1749347548 QJSABUFNDTYSSL-UHFFFAOYSA-N 441.576 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](COC(C)C)C1 1749358933 FAWVVVYMDQJFAV-GOSISDBHSA-N 432.996 4.831 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CC(C)(C)N1CCC[C@H](C)C1 1749529253 ALILWGBYVBEOSJ-FQEVSTJZSA-N 425.621 4.552 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCc1sc(C)nc1C 1749592525 OWTZBVGDUABAAS-UHFFFAOYSA-N 437.569 4.646 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCS[C@@H](C(C)C)C1 1749689594 HRYIGDQVVCDXRY-FCHUYYIVSA-N 442.629 4.711 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CCC[C@@H]21 1749746305 WMAVCVRCPXLGHO-DYVFJYSZSA-N 437.382 4.755 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS[C@@H](CC)C1 1749760031 AEOOTYVTBPJFOC-IBGZPJMESA-N 427.643 4.532 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC[C@H]2C)CC1(C)C 1752130270 HFKUQWRSFAEJIZ-LEWJYISDSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2[C@@H]1C 1760160636 GPVWAOOBMNNCLO-PZJWPPBQSA-N 449.599 4.887 30 10 IJEE C=C(Br)Cn1c(N2CCO[C@H](CCC)C2)nnc1C1(c2ccccc2)CCC1 1760313526 CFYVOOKOMQJCTM-LJQANCHMSA-N 445.405 4.662 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1760352943 CAAPFKUGLKJJSP-SFHVURJKSA-N 445.489 4.865 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760354160 PZNXNMHROYEAOS-CZUORRHYSA-N 446.876 4.965 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1760409826 IZADEIMQHLDFOX-JOCHJYFZSA-N 432.616 4.991 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CCc1cccc(C)n1 1760484489 BFDBVMRYPQZGNN-UHFFFAOYSA-N 442.542 4.542 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC(C)(C)C1 1760561007 NCTQVMFTHPRUSN-UHFFFAOYSA-N 446.617 4.517 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@@H](C)C#N)n1 1762211455 HTRBUPKQDIYPOW-HOTGVXAUSA-N 431.569 4.658 30 10 IJEE CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC#N)c1ccccc1 1764219587 GBSKVEKNLIELLU-HZPDHXFCSA-N 441.377 4.968 30 10 IJEE CC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1765135650 BQQDGTMSLBGXOG-VXKWHMMOSA-N 432.572 4.872 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1CC(OC(C)(C)C)C1)C1CC1 1766510262 IFNQCHPUKTVCDC-UHFFFAOYSA-N 437.588 4.701 30 10 IJEE CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2sccc2C)cc1OC 1767527796 FYEZDDOOZMNEBQ-MRXNPFEDSA-N 439.585 4.561 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(=O)OC(C)(C)C)CC1 1772555058 BSIRIMBPOOVZHS-UHFFFAOYSA-N 445.995 4.916 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2cccc(C(C)=O)c2)ccc1OCc1ccccc1 1860728286 GXQHZVJHARXYGJ-ACCUITESSA-N 429.472 4.698 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C1CCN(Cc2ccccc2)CC1 1861169757 ZQNQGZWKUWDYDP-AREMUKBSSA-N 429.649 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1ccccc1)c1cccc(Cl)c1 1862441271 DDIDTDYAPDXZSF-QFIPXVFZSA-N 447.874 4.847 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 1862544969 PCCNEMFTFNAXCK-QHCPKHFHSA-N 437.511 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2)cc1OC 1862575590 AIWXUEALWMHPCZ-DEOSSOPVSA-N 443.499 4.525 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCO)c1 1862669465 WXJAXKZNFPGYEX-QHCPKHFHSA-N 437.536 4.560 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(F)cc2F)c1 1862700075 AIMRKLALOFAUHI-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1 1863299386 MWWSEBPRYZUHIA-MRXNPFEDSA-N 441.462 4.659 30 10 IJEE N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867124958 ZDPJIAPQBIKAQI-DEOSSOPVSA-N 445.950 4.901 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1 1868949195 MKIMAZHPHZVZML-QFQXNSOFSA-N 440.534 4.972 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1870112136 QFLOJEKZLXUXBN-AWEZNQCLSA-N 444.322 4.528 30 10 IJEE CCOc1cccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)c1 1870159494 KIBXNJYCSXFGOU-UHFFFAOYSA-N 425.448 4.582 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CNc1cccc(OC)c1 1871147435 CMRMKAJDYTTZSK-UHFFFAOYSA-N 444.572 4.771 30 10 IJEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CNc1ccc(OCCCC)cc1 1871200977 YBTKXGVVOCNWDJ-UHFFFAOYSA-N 442.556 4.547 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871411038 DMCVNQMAUQHZQA-FMCGGJTJSA-N 435.476 4.618 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871438926 YHQMZHOKHUWOMV-JJFYIABZSA-N 431.444 4.733 30 10 IJEE C=CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871636186 VDSWDQZUEVDWSY-WOJBJXKFSA-N 444.583 4.696 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871840134 FZIXCKZFVGKVEZ-JOCHJYFZSA-N 432.561 4.933 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872152552 UYYCXGWNXBVOPM-AUSIDOKSSA-N 444.597 4.706 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872249635 MPEWNGZHZOPCNQ-NRFANRHFSA-N 444.597 4.605 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1 1872357992 MHNKLMRKRGSZDR-INIZCTEOSA-N 446.516 4.751 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1)S(=O)(=O)C1CC1 1872457011 SMVUOLOGBGGYGD-QHCPKHFHSA-N 426.582 4.860 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872475146 BVSUELNGAPFWSG-JOCHJYFZSA-N 432.561 4.762 30 10 IJEE CC(C)N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872759771 ZFUCIUHZCZYDPT-RTWAWAEBSA-N 429.545 4.910 30 10 IJEE CC(C)(C)N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872788021 VSPYGUWNFNQXQC-FZMZJTMJSA-N 436.364 4.940 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(F)c(F)cc3F)C2=O)cc1 1873235568 FPOFTRYEZGXALZ-UHFFFAOYSA-N 447.416 4.676 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)ccc2C)cc2c(NCc3cccnc3)ncnc21 1873609107 OVQMIMXLDIFYIT-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874213130 WRKIVDYZNPUKLW-HYARGMPZSA-N 445.932 4.846 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(F)cc1F 1874236424 IRALMZFROYLUIN-ZMOGYAJESA-N 430.480 4.694 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cc(Cl)ccc1O 1874241399 FBLCPUIUYQGKAX-YDZHTSKRSA-N 444.944 4.775 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2cccn2C)cc1 1874305982 ZHTDYAWCWUOHKW-WGOQTCKBSA-N 449.555 4.724 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)OC)cc1 1874342311 KDEUROHJOWYJEQ-ZMOGYAJESA-N 440.956 4.859 30 10 IJEE Cc1ccccc1CCc1nnc(SCCCO)n1/N=C/c1ccccc1OC(C)C 1874363635 OZYMRDYUKGWVQA-KOEQRZSOSA-N 438.597 4.516 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCc2ccccc2)cc1O 1874371760 PMPUTMBSCOMVHA-OEAKJJBVSA-N 436.562 4.711 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCC2)cc1OC 1874494727 WMOCVVIKOQZWHV-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE CCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccccc2F)cc1 1874501593 OVKSIDVNOXYODR-ZVHZXABRSA-N 428.533 4.917 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(F)cc1F 1874510728 XQNJETXTMZMEBQ-BRJLIKDPSA-N 443.523 4.855 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)cc1)Nc1ccccc1F 1874517925 QZLJEZKJQXTKAD-FOKLQQMPSA-N 429.908 4.561 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c([N+](=O)[O-])c2)cc1 1874616380 WWAHOUFDJIFOGV-XYOKQWHBSA-N 434.423 4.956 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1874621107 KKEPOFTYEGHMEQ-UKTHLTGXSA-N 429.472 4.891 30 10 IJEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc2c(c1)OCO2 1874621145 MHLXILMFIAULQR-YRNVUSSQSA-N 426.428 4.539 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1OCCO 1874627447 TVPFMXDECPQEEO-BQYQJAHWSA-N 443.496 4.701 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(OC)c1OC(=O)C(F)(F)F 1875096727 BWLLNCXGPPFGPI-JXMROGBWSA-N 434.410 4.946 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3F)c(OC)c2)c1 1875102652 LQBHVNMTCLVQSZ-VAWYXSNFSA-N 436.435 4.967 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCOC)c(OC)c2)cc1 1875136319 JGRVQNZNPZVGNE-BJMVGYQFSA-N 432.900 4.975 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875142409 ANZSPHAZHWQVLV-FPYGCLRLSA-N 434.419 4.987 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)c(Br)cc1F 1895030914 YLIRKHHZOFQRCA-IAGOWNOFSA-N 431.321 4.685 30 10 IJEE CCCN[C@H](C#Cc1nc(CC)cs1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 1900958470 FUZGZNJKHXMDCQ-OAQYLSRUSA-N 427.614 4.863 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1cc(Br)c(Br)s1 1922047693 VCSHAYLWOBAHCW-HNNXBMFYSA-N 446.160 4.649 30 10 IJEE CC1(C)C[C@H]([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1938245722 ZXBVCCUDTJGXQY-KGLIPLIRSA-N 435.487 4.714 30 10 IJEE Cc1nc(N(Cc2ccccc2)[C@H](C)c2cccs2)ncc1B1OC(C)(C)C(C)(C)O1 2052611262 RMAIAYYJERGUON-GOSISDBHSA-N 435.402 4.914 30 10 IJEE C=CCC1(NC(=O)c2sccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2054384018 WVJJOCFINGDIJZ-UHFFFAOYSA-N 429.380 4.586 30 10 IJEE CCc1ccc([C@H](CC)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079101097 AUXOEVGKRAVIJK-GKXUUXLPSA-N 437.325 4.909 30 10 IJEE N#Cc1c(C2CCOCC2)nn(Cc2ccc(C(F)(F)F)cc2F)c1Br 2080340382 YSOKNUZEJHCCRF-UHFFFAOYSA-N 432.215 4.617 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(Br)cc1F 2089292313 QYKBGUWUXBXIHP-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)c1ccc(C#N)cc1Br 2118195235 TZNQSUHEXOGODV-UHFFFAOYSA-N 436.272 4.604 30 10 IJEE C[C@@H](CCCN(C)C(=O)OC(C)(C)C)N(C)c1cc(Br)cc(F)c1C#N 2118210023 JCTXZWCHCRWABI-ZDUSSCGKSA-N 428.346 4.932 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 2145540500 DRKFFKATHDPWSV-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE Cc1cc(Br)sc1CN(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2157047077 FQAJVOYFEFWDST-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2159121501 VKANUCUHCBQQBP-GJZGRUSLSA-N 441.414 4.643 30 10 IJEE N#Cc1ccc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(F)c1Br 2163308312 VPEDVSDDPYXXIK-JOCHJYFZSA-N 428.349 4.952 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3cc(Br)cc(F)c3C#N)C(C)(C)[C@@H]21 2175901836 RILWPDBXTKXCLD-OAUYIBNBSA-N 438.341 4.906 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181138418 APBWSIQOXNSRGT-QGZVFWFLSA-N 436.350 4.829 30 10 IJEE CN(Cc1cccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1)C(=O)OC(C)(C)C 2232329419 ZLDXQZTWJDWCRM-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2235721906 JLCJBSAIHLSXCO-QZTJIDSGSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 2235733180 NZJSIWWCKBXBAA-VQTJNVASSA-N 435.406 4.862 30 10 IJEE C#CC[C@H](C[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237416991 IDHCZAYONLUGCU-YZGWKJHDSA-N 435.406 4.652 30 10 IJEE CN[C@H](C#Cc1ccccc1Cl)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2252755545 ZTWPJIUWIRPEPK-YADHBBJMSA-N 442.987 4.780 30 10 IJEE CC1(C)OB([C@H]2C[C@@H](C(=O)NCCc3cccc(OCc4ccccc4)c3)C2)OC1(C)C 2267555819 SJORCHLMMCHANP-SZPZYZBQSA-N 435.373 4.797 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C 2296284751 UKSGDZMXMLJDLO-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 2296297235 WQJOGIVOTSVECP-RBUKOAKNSA-N 437.422 4.964 30 10 IJEE CC(C)(C)OC(=O)N(CCC[C@H](O)C#Cc1ccc(C(F)F)nc1)Cc1ccccc1 2301899343 IABXGHNRNHUULG-FQEVSTJZSA-N 430.495 4.949 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)C[C@H]2NC(=O)OC(C)(C)C 2306529305 QSQSVXHQBSZXJU-NWSMCOELSA-N 428.573 4.746 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2316068849 MYPPMSYBMDTNHO-AQKKSAQBSA-N 448.568 4.853 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Br)ccc2OCCO)c(OCC)c1 2322910832 PSQSJYVDBNVSHG-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE O=C(Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 2322969354 LJLUKUKCXOILNV-UHFFFAOYSA-N 446.415 4.623 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccccc3F)c2)cc1 2323094457 QNAJSXCKXBAOPR-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)cc3)cc2OC)o1 2323648592 VKZGKBNXEDMPEN-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(Cl)c1OCC(=O)NCc1ccco1 2323802706 BXPRDQCFNYDMBW-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE Cc1ccc(C)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)c1 2323946220 BVIJLELQVQKSDV-UHFFFAOYSA-N 444.487 4.803 30 10 IJEE O=C1C(=Cc2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCC(CO)CC1 2324173595 YHYGUVDBFGGAHW-UHFFFAOYSA-N 434.319 4.520 30 10 IJEE CCOc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)OCO4)ccc2OC)cc1 2325746743 WJYKLGTYQUXNDS-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CCOc1cc(C=Nn2cnnc2SCc2ccc(C#N)cc2)cc(Cl)c1OCC 2326660576 TWKQPLBZEYDPNP-UHFFFAOYSA-N 441.944 4.775 30 10 IJEE CCOc1c(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SC)cccc1OC 2327141554 DALHCDHITWPSMD-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(O)cc1O 2327298467 NIUHPUIYBWHUPJ-UHFFFAOYSA-N 426.542 4.578 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc[nH]2)cc1 2330074613 VMWAFDBHUZQARG-SFHVURJKSA-N 444.564 4.679 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(Cl)cc1 2330603552 FFHYMIKLYUMBMA-UHFFFAOYSA-N 434.974 4.834 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)cc2)cc1F 2331451293 NEABJHRBMKLMNV-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cc(C)ccc1O 2331592567 YTZMJRQNPPDKRA-UHFFFAOYSA-N 437.352 4.920 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC1(C)C 2336387969 VOOJWJSDYZVIOC-MRXNPFEDSA-N 426.330 4.542 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(Cl)cc1Br)NCC)C(=O)OC(C)(C)C 2337907765 RJGRHGSVPVQPCS-QGZVFWFLSA-N 443.813 4.884 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339536032 OLUQGSNOOUSBEX-IBGZPJMESA-N 443.397 4.562 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2ccc(Br)c(F)c2F)OC1(C)C 2364912963 IIMBIDJRUWPYMV-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE C=CCC1(N[C@](C)(C(=O)O)c2cc(Cl)sc2Cl)CN(C(=O)OC(C)(C)C)C1 2377177503 CKZAXSIEXZWRAP-KRWDZBQOSA-N 435.373 4.510 30 10 IJEE C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)cc1OC 3005425 WCOHKUAEAMHCNY-GZTJUZNOSA-N 440.883 4.983 30 10 IJEE CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(-n3cccn3)cc2)cc1 12248093 SKIVWEDAQNIZSR-UHFFFAOYSA-N 436.515 4.512 30 10 IJEE Cc1ccc(NC(=S)/N=C(\NCCc2cccs2)Nc2nc(C)cc(C)n2)c(C)c1 14158961 SUMJCUKLHUWAIR-UHFFFAOYSA-N 438.626 4.769 30 10 IJEE C=CCn1c(SCC(=O)NC(C)(C)CC)nc2scc(-c3cccs3)c2c1=O 19046474 MNSTWAHHLSJBEF-UHFFFAOYSA-N 433.624 4.769 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 21220844 OMIQNTOFRRIBLQ-NVXWUHKLSA-N 440.883 4.651 30 10 IJEE CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 21248270 KWHYOVBXGQXDCM-NVXWUHKLSA-N 425.912 4.621 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)c1 33438526 UXANZOREUFAROO-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 41292687 GPZIDFAXQRPRHG-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE C=CCn1c([C@H](Cc2ccccc2)NC(=O)c2ccc(OC)cc2)nc2ccc(OC)cc21 43255456 WJMCMANOULNXSQ-DEOSSOPVSA-N 441.531 4.953 30 10 IJEE CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc5c(c4)CCC5)CC3)c2c1 44167661 SYWJNMWEDABHQH-UHFFFAOYSA-N 440.547 4.849 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(/C)c2ccc(C)cc2)n1 59021494 ZKMUAGDQRPDHMV-IWIPYMOSSA-N 440.598 4.792 30 10 IJEE CC(C)c1nnc([C@@H](C)Sc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)o1 59878964 YINIGGLTIJVJCE-IMAFCELCSA-N 426.333 4.917 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 63401814 HQHIYZJGPXVZKA-QFIPXVFZSA-N 440.950 4.885 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccccc3)CC2)cc1 100278610 GRXWGKVWGHZIKP-UHFFFAOYSA-N 439.625 4.873 30 10 IJEE CCOc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C)c(Cl)c3)N(C)C2=O)c1 102406744 FDWSYQYVIFOGLR-JQBIEYAESA-N 431.945 4.637 30 10 IJEE CCO/C(=N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 105904427 PYBBFRGFAHPUOK-JVVAJGLMSA-N 426.925 4.959 30 10 IJEE C[C@H](Oc1ccccc1C#N)C(=O)N(Cc1ccccn1)c1ccc(Br)cc1 108327917 TVHQYSXKJFPECG-INIZCTEOSA-N 436.309 4.716 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccn2)cc1 169999031 CURPXKAOEDNFTQ-HXUWFJFHSA-N 427.485 4.783 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccco2)c1 170089855 LANBPEOAQDZJEH-QFIPXVFZSA-N 447.443 4.580 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1OC 170091643 KRULABMXFDEQON-JOCHJYFZSA-N 444.443 4.561 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170095676 WMKIKBOSPZGTBS-QFIPXVFZSA-N 430.460 4.638 30 10 IJEE Cc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170103030 MRTTVDFTCRJZMX-DEOSSOPVSA-N 433.479 4.867 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1c(C)[nH]c2ccccc12 170104197 NBMLKSVXKKQWTR-QHCPKHFHSA-N 443.503 4.572 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccccc1OC(C)C 170151448 NHOXEZFHMWZFMI-OAQYLSRUSA-N 427.472 4.610 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c1 170163230 OGBARFKISQGLDV-LJQANCHMSA-N 440.908 4.584 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccn2)cc1Cl 170168023 DRUQIRBSGQFJEX-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccnc1 170196226 KNXTYCIITLNJJX-LJQANCHMSA-N 428.916 4.821 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)c1 170207974 QQIGDBSRBMMXEU-FQEVSTJZSA-N 438.867 4.505 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2)cc1 170231756 WYKPIZVKGRCZJQ-HSZRJFAPSA-N 437.536 4.870 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccco2)c1 170278643 XTXOLEUBHLKPKC-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1Cl 170289724 JKYZEYRBYLOKHA-FQEVSTJZSA-N 434.835 4.596 30 10 IJEE Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CC[C@@H](C)C[C@H]2C)c(=O)n(-c2ccccc2)n1C 253560750 BEVZORAWSZHCSW-VXORVCMQSA-N 447.539 4.768 30 10 IJEE Cc1cc(C)c(C#N)c(Nc2cc(Br)ccc2I)n1 311743098 RCLPEMODTYHPRF-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE N#Cc1c(NC(=O)CCN2CCC(OCC3CCCC3)CC2)sc2c1CCCCC2 434903782 BVXBWNRNTIRUMA-UHFFFAOYSA-N 429.630 4.888 30 10 IJEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 435299643 PZAIAKOBTCZRPA-QFIPXVFZSA-N 447.000 4.564 30 10 IJEE COc1cccc(C=C2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)c1 472928314 GFBDWMIBKGNSFY-FQEVSTJZSA-N 433.552 4.518 30 10 IJEE C=CCn1c(Sc2nc(C)nc3sc4c(c23)CCCCC4)nnc1-c1cnccn1 481844299 OXYDXFYYKOVQGA-UHFFFAOYSA-N 435.582 4.654 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc(Cc2ccccc2)no1 489663590 DOLQSRUPRXHODX-UHFFFAOYSA-N 433.537 4.618 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 508803469 XTFLIEKROGEYHU-XZOQPEGZSA-N 447.627 4.625 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)c(O)c2)c1 526514969 ICPHKWRROARVKB-DEOSSOPVSA-N 442.471 4.815 30 10 IJEE C[C@@H](N[C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 539251000 HPBBHPZLROMHQR-IAGOWNOFSA-N 446.576 4.760 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](c2ccccc2OC)C1 549637374 FXLXMZRITPYOPP-SFHVURJKSA-N 434.540 4.541 30 10 IJEE COc1cc(OC)cc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)c1 586225151 XRJSTUNEUXXTFH-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CSCc1ccc(C(=O)NC2CCC(OS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 586508003 DOCZSYFYGRMKDN-UHFFFAOYSA-N 447.622 4.613 30 10 IJEE C=CCCCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 605677152 NZPUIFDPDXCBOL-UHFFFAOYSA-N 427.353 4.832 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 682027427 KRAGAAQPDFGIEQ-UHFFFAOYSA-N 442.519 4.907 30 10 IJEE COc1ccc(N=C2S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2C)cc1Cl 725410608 WSBKVZOUDBRIQM-MRXNPFEDSA-N 438.336 4.592 30 10 IJEE CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)n1 732595961 FTDGLIHCZPVHNL-PWRODBHTSA-N 446.528 4.879 30 10 IJEE C/C(=C/C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)c1ccccc1C(F)(F)F 741920676 TULVJJCUQZMFMA-CPPNXCSESA-N 445.466 4.521 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc(C(=O)OC)c2)cc1 759041156 SNHIRFPOETVXCG-UHFFFAOYSA-O 444.536 4.518 30 10 IJEE N#Cc1cccc(CC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)c1 781366483 DQFVCPUUUWEEDP-QHCPKHFHSA-N 438.449 4.882 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 804452518 IKQFNTHXUHRJLJ-OAQYLSRUSA-N 434.586 4.843 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1 1084284310 SKILRMHWDZNZKC-ZXPANVQOSA-N 426.933 4.608 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)ccc1F 1124547389 JMHGZVGNBMAMCQ-QFIPXVFZSA-N 432.561 4.541 30 10 IJEE C=CCSCCNC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 1127976767 XRGOJRLXMVJSOO-UHFFFAOYSA-N 429.895 4.682 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3ccc(N(CC)CC)cc3s2)c(OC)c1 1129574217 AODROEXGWRSHNP-UHFFFAOYSA-N 425.554 4.897 30 10 IJEE C=CCOCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1131081417 VEBWMKBKBYTJJH-UHFFFAOYSA-N 440.341 4.624 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](C)Sc3ccccc3S(=O)(=O)CCC)cc21 1134354319 WJCBUQHLSGBVBK-MRXNPFEDSA-N 443.594 4.525 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C 1145063201 FPHQPSGMKNUSHQ-FUHWJXTLSA-N 442.959 4.771 30 10 IJEE COCCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccc(C)cc1C 1167226914 DQGPTLFOWQMYMB-GOSISDBHSA-N 439.625 4.839 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2CC(C)(C)C2)c1 1167518640 QWYXZIRGPRGOEU-UHFFFAOYSA-N 432.973 4.640 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCCC[C@H]1/C=C\c1ccccc1 1168144754 GZPKEXWJBMLRLI-VJVQGEDVSA-N 425.536 4.640 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc(-c2ccccc2)cs1 1186665674 AGAGCNFYZFHXNS-GFCCVEGCSA-N 437.468 4.740 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)cc(OC)c1OC 1202402524 CCCUTYMKAWERQD-SFHVURJKSA-N 438.572 4.836 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@H]2CNC(=O)c2ccccc2)cc1OC 1204609195 PIBGOUUIALUWMZ-FQEVSTJZSA-N 428.960 4.698 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1219084490 NXHJDSVFFNGKJD-QFBILLFUSA-N 444.373 4.798 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC)c1ccc(F)cc1 1230478111 CRMGBIAEGYMSAK-ISKFKSNPSA-N 436.458 4.745 30 10 IJEE C=C(CNC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccccc1 1251694469 JFIFUYNZBXCCLK-RCZVLFRGSA-N 432.495 4.589 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCCc3c(Br)cccc32)c(OC)c1 1266589770 HSKBVOMCHYJPFE-UHFFFAOYSA-N 430.342 4.935 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC[C@@H](C)C1 1286574284 XCRKUWDPVVAHPA-UXHICEINSA-N 448.615 4.904 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1286591846 MLBYEVJTHFFDDM-UHFFFAOYSA-N 439.604 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1cccc(COC)c1 1286749078 JOJQZBIUFIZGPE-NRFANRHFSA-N 438.597 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1286753173 WRSNUZGUDVWFHI-QGZVFWFLSA-N 429.565 4.528 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(C)(F)F)C1 1286802831 WPUMYQQHQYWECH-WBVHZDCISA-N 436.572 4.958 30 10 IJEE N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cc1O 1291814034 BJDUQIICIXNIOI-HXUWFJFHSA-N 425.257 4.685 30 10 IJEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccnc1)C(C)C 1295744176 FCNHDMUXUVDVCY-BJKOFHAPSA-N 444.583 4.657 30 10 IJEE C=C(C)CCC(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1299214975 CACXKVAPSDQOLF-UHFFFAOYSA-N 430.593 4.587 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C2(CCC2)C1 1300341013 BOXOENRGOQIHJB-QGZVFWFLSA-N 444.421 4.866 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(F)F)C1 1300342997 WWBPVHILYQDACR-MRXNPFEDSA-N 437.332 4.993 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1300351955 CYVUFHQWVXSDMA-WOJBJXKFSA-N 440.613 4.630 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)N(C)c1ccccc1 1300441331 LBZARYZHNRMOJN-MOPGFXCFSA-N 433.625 4.726 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1300512379 PIMJKLFNEPUKRI-JENIJYKNSA-N 448.464 4.924 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)C1CCCCC1 1300564219 TYIIETSJKOKYEH-UHFFFAOYSA-N 445.655 4.970 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCC1CC(OC(C)(C)C)C1 1300637594 HJYIHBVFLXJPRA-UHFFFAOYSA-N 438.616 4.917 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1301226604 GZZUYCVHKQINSS-QHCPKHFHSA-N 435.641 4.997 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1301236915 KONNKMFURFNGQL-GXRSIYKFSA-N 430.637 4.806 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1cc(Br)cs1 1301380286 AUZMUBRSGLOFKS-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(I)cc1F)c1ccc(Cl)cc1F 1310978081 HFVKDADAGQSDNQ-CQSZACIVSA-N 446.622 4.719 30 10 IJEE C=C(Br)CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)C[C@H]1CCC 1311755914 BBFWIWNSTQVFJH-MRXNPFEDSA-N 434.300 4.614 30 10 IJEE CO[C@@H]1CC[C@@H](N2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccsc2)C1 1320816247 CFKGLIMFHACTKC-GUDVDZBRSA-N 443.594 4.584 30 10 IJEE C=CC(C)(C)CC(=O)O[C@@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(C)cc1 1349975788 QGOISKZJCXKXAV-AUSIDOKSSA-N 429.582 4.891 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c(C(=O)OCC)c1C 1352311614 KIDIXVOCGWZAQT-UONOGXRCSA-N 449.475 4.596 30 10 IJEE C#CCN(C(=O)Cc1c(C)cc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 1353634794 NYOUJVUCGDHCED-NRFANRHFSA-N 426.354 4.902 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@H](C)c2ccc(F)cc2)c(C(=O)OCC)c1C 1353746092 ICNCADCMEWNABV-ZDUSSCGKSA-N 433.501 4.847 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359185868 MOBBUMZGZKXUSZ-HXUWFJFHSA-N 437.632 4.987 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1359197548 SJNZPLSRPRAKSD-LJQANCHMSA-N 425.577 4.507 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN(C)C1CCCCC1 1359258596 WDZMGQAQXIYETF-HSZRJFAPSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCc1csc(C)n1 1359261171 YSMFDHORTSKVJW-NRFANRHFSA-N 441.576 4.859 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359309692 AZFRCYPTZXBURL-NVXWUHKLSA-N 431.462 4.521 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)CC(C)(C)C1 1359339362 BVBFJUIXWGUDBV-KRWDZBQOSA-N 428.602 4.508 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cccc(OCc4ccc(Cl)cc4)c3)CC2)c(F)c1 1360312693 AGJKIJAUUZPQFV-UHFFFAOYSA-N 449.913 4.892 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCC(C)(C)O 1360986293 ACGGTUHYUBZMLM-IRXDYDNUSA-N 433.984 4.588 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)CCCN1C(=O)OC(C)(C)C 1435774514 WSIDACUEIZSDAS-RUZDIDTESA-N 447.539 4.909 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 1436641539 SMSOFSBNBPKLCR-FQEVSTJZSA-N 445.338 4.581 30 10 IJEE N#Cc1cc2ccccc2cc1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 1436723828 HTHZMZNGUULABH-UHFFFAOYSA-N 437.297 4.624 30 10 IJEE C[C@@]1(NC(=O)c2c(F)cc(C#N)cc2F)CN(Cc2ccccc2)C[C@H]1c1ccccc1 1439756005 BOWFIFKILYWFIQ-HFZDXXHNSA-N 431.486 4.625 30 10 IJEE C=CC[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccncc1 1444210492 PKNDXEFLVSILQS-LEWJYISDSA-N 439.556 4.870 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 1445582925 LDJGIPLUEMJXCP-RTBURBONSA-N 432.561 4.873 30 10 IJEE C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)c2ccccc2N(Cc2ccccc2)C1=O 1457264813 GXKAVXDGMZHOSQ-IBGZPJMESA-N 441.556 4.866 30 10 IJEE C=CCn1c(S[C@@H](CCc2ccccc2)C(=O)OCC)nnc1-c1ccccc1F 1458828563 SNFKBSOIUWLYLX-FQEVSTJZSA-N 425.529 4.927 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(F)cc4)nc3)CC2)c(Cl)c1 1459641892 CHKVIROWXITIAV-UHFFFAOYSA-N 436.874 4.500 30 10 IJEE C=C(C)CN(CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)Cc1cnn(C(C)C)c1 1460091283 UTEZYRBWQULLIF-VWLOTQADSA-N 438.616 4.995 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(OC(F)(F)F)c1 1464434093 GSIIZBFWYGSBMH-SECBINFHSA-N 431.329 4.783 30 10 IJEE C=CCOc1cccc(NC(=O)N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c1 1465382934 XILBTBHUTACYJB-MHECFPHRSA-N 429.561 4.800 30 10 IJEE O=C(NCc1nc(C(F)(F)F)cs1)N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 1466931225 DRDRZHOTNSCJMJ-CYBMUJFWSA-N 440.344 4.885 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(CNc4ccccc4)cc3)CC2=O)cc1Cl 1472519518 DHQODTOQNBLGFZ-LJQANCHMSA-N 444.922 4.815 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(Oc3ccc(C(C)C)cc3)CC2)CC1 1473109392 CFGANGUTLNWIJB-QLSBTUPBSA-N 425.617 4.973 30 10 IJEE C=CCC1(NCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CCCC1 1473647708 PKWJWWYGDJSSDK-UHFFFAOYSA-N 428.580 4.693 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)c1ccc(Br)cc1 1475874010 SUJGLHSQEPZPBI-KSSFIOAISA-N 447.402 4.634 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 1475930270 XORLYCPYHZPZDJ-RHSMWYFYSA-N 425.476 4.855 30 10 IJEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nc(C)c(C)s1 1496056520 AAQWWELOGQMOMH-INIZCTEOSA-N 438.601 4.527 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCC[C@H]1C 1496748751 AKXUYMXXQAWBEJ-WIYYLYMNSA-N 448.615 4.673 30 10 IJEE CCOC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1502760727 AAMLTEDSBXAHRB-YOSAUDMPSA-N 443.636 4.676 30 10 IJEE CN(C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccs1 1503379896 FBHHVGWYTGIOTN-OFVILXPXSA-N 448.640 4.558 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCC1(C)C 1507661893 AAHJKMPWULJQLC-IBGZPJMESA-N 439.401 4.997 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC2(CCC2)C1 1507746166 LXXGBYIACVTZFY-IBGZPJMESA-N 440.613 4.564 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1507784044 HPMPRIQUKNGZLC-MRXNPFEDSA-N 443.748 4.857 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)c2ccco2)CC1 1507878535 BJQCDFCJVABPKU-NBGIEHNGSA-N 436.556 4.692 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(OCCN3CCCC3)cc2)CC1 1507896127 HHNQYHBUZYGWDD-NRFANRHFSA-N 437.632 4.717 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC[C@H]2CCOC2)CC1 1507897789 QXNJRLXEDIKTFV-GOSISDBHSA-N 448.970 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1507912017 CUQKBKZKNJGDEF-UGKGYDQZSA-N 434.588 4.737 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1507943981 KOBIPYNYKNTLSO-UHFFFAOYSA-N 447.583 4.774 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CC=CCC1 1507996133 GQKSMJUGRHCQFD-QFIPXVFZSA-N 429.568 4.821 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CC(=C)Br 1508007343 ADILSSVYAOQQLU-SFHVURJKSA-N 435.341 4.760 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(F)CCC1 1508021033 PSDRWKFEEWRNNF-SFHVURJKSA-N 433.572 4.811 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H](C)C1 1508023031 ABEQWHYQFWFBAG-NRFANRHFSA-N 433.600 4.814 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCSC[C@H]1C 1508151579 YPMQUNLPJUDELK-HZPDHXFCSA-N 434.700 4.992 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1 1520613476 KZMWNRMGVKFNCE-UHFFFAOYSA-N 437.465 4.995 30 10 IJEE C=CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1522118980 JKDRINHYYIOAPQ-OALUTQOASA-N 442.581 4.856 30 10 IJEE C=CCN(C(=O)c1ccn(Cc2ccccc2)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1522959931 REPXTBCMSDOBIL-RUZDIDTESA-N 430.548 4.647 30 10 IJEE C#CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)C[C@H](C)C2 1526824920 KRLGFERYGRJWOC-PMIVHWTLSA-N 440.543 4.746 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccnc(OC3CCCCC3)c2)CCCN1C(=O)OC(C)(C)C 1527396191 QJRWKMPUBJCBMU-RUZDIDTESA-N 443.588 4.755 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCC=C(C)C)ccc1Cl 1528927500 JUGMUAOFNGKLBR-UHFFFAOYSA-N 436.936 4.556 30 10 IJEE COc1ccc(C[C@@H]2CCCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 1531158833 DKYRNLMRUUMEOT-NRFANRHFSA-N 430.504 4.976 30 10 IJEE Cc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc(C(=O)OC(C)(C)C)c1 1536591831 BLNDQTGWRZEMRY-UHFFFAOYSA-N 436.899 4.913 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@H]1CC 1538971098 FZNRJQLUPVJMQW-MDNUFGMLSA-N 437.632 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)N1CCC(C)CC1 1538983428 RTYCRZJGOCBLNJ-AABGKKOBSA-N 439.673 4.710 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1539079765 ZQOLKUAYXSLONX-KNQAVFIVSA-N 447.410 4.723 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCOC(C)(C)[C@H]1C 1539095595 HWJCFOHICRSRAA-GOSISDBHSA-N 435.597 4.794 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539497108 KCYFKRJSULQIHH-IXFSTUDKSA-N 428.577 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC1(F)CCC1 1539548115 FYLIGYJIJZPGHE-HSZRJFAPSA-N 426.536 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCc2cccnc21 1539658819 BUSLPJBSLZPCTN-NRFANRHFSA-N 447.583 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)OCC 1539666884 AZNUKZCJCUWOKF-LJQANCHMSA-N 449.640 4.610 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCCn2ccnc2C)CC1 1539836652 YLHTUOTYKMVSOO-UHFFFAOYSA-N 442.514 4.688 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(N(C)C)cc2)CC1 1539882505 MQOAUVANPRWUES-UHFFFAOYSA-N 436.991 4.705 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCOC2CCCC2)CC1 1539896384 NQDCCILQLKEGRK-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C 1539906873 VDTVBTFUHMCNIT-AWEZNQCLSA-N 436.398 4.642 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)OCC 1540158997 WKSFIFURFGMELB-UHFFFAOYSA-N 425.396 4.763 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCC=C(Br)C2)cc1 1540877750 DVDYQUVSDXIEHM-UHFFFAOYSA-N 429.362 4.648 30 10 IJEE CC[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC#N)CC1)OC 1546012132 BXBLYCFSJFHIKT-OAQYLSRUSA-N 439.604 4.710 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1546880001 GDWVCJCNQBRYIT-ROUUACIJSA-N 440.592 4.602 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1556360801 BVFJBFHNFPBPDG-QRWLVFNGSA-N 441.450 4.869 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 1559591646 BJQRRIJYJUROGV-QPPBQGQZSA-N 449.595 4.500 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C)c(Br)c(C)n2)cc(OC)c1OC 1562648414 IICLHDAWHMAHEA-UHFFFAOYSA-N 434.334 4.528 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)c1ccccc1 1564396485 JPAORJZUISHFMV-OAQYLSRUSA-N 438.528 4.533 30 10 IJEE C=CCCC1(CNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCCC1 1564664811 ZKOADMJFKYSKCR-UHFFFAOYSA-N 431.378 4.961 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1566676022 QZEVOIXDEPGGCG-ZWKOTPCHSA-N 444.494 4.759 30 10 IJEE CC#CCNC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1567047295 VSPFUELZXMXAQG-FQEVSTJZSA-N 430.548 4.567 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@H](C3CCC3)C2)nnc1-c1ccc(Cl)cc1 1585005843 NPVHKUKQLJGJBL-GOSISDBHSA-N 431.005 4.915 30 10 IJEE C#CCSCC(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1586631526 OFELEPDSJJWFSH-UHFFFAOYSA-N 444.354 4.817 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1OCC(F)(F)F 1587522154 NKIDKMQQYSOCJQ-ZDUSSCGKSA-N 440.821 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C/C=C\c1ccccc1 1587632387 LJIDWMRLYASWBY-ACQXMXPUSA-N 449.599 4.564 30 10 IJEE C#CCCCCn1c(C2CC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1587754951 PIETYGGOTRXIQB-UHFFFAOYSA-N 435.572 4.869 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1587883458 BMWWRKYJJZNVPB-OALUTQOASA-N 426.630 4.898 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCCC1CCOCC1 1588167049 VNAKKLVGABAHGB-UHFFFAOYSA-N 443.016 4.503 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1588297952 NUBASSADSFHRSV-BGYRXZFFSA-N 428.024 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(C)(C)C)CC1 1594521020 JUCLSKDKNKLDLV-UHFFFAOYSA-N 439.648 4.997 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCOC1)C1CC1 1595065247 LITNOBBLZBTUAB-HNNXBMFYSA-N 437.371 4.745 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCCN1CCCC[C@@H]1C 1595093823 HGMMCVGMCAZSID-NRFANRHFSA-N 443.599 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@@H]1C 1595149691 SZCPERYUVWJYMY-XJKSGUPXSA-N 432.391 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](OC)c1ccc(F)cc1 1595156661 OQEINOMORXRDIV-GHTZIAJQSA-N 442.560 4.563 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CC1(O)CCCCC1 1595161999 SEHIVNBFMCVHFT-UHFFFAOYSA-N 428.627 4.880 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1595323946 HOPPMYOOBFLUKY-RDTXWAMCSA-N 445.386 4.922 30 10 IJEE Cc1cc(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)nn1-c1cccc(C#N)c1 1595497761 CABRXYIGIPBBLU-OAQYLSRUSA-N 449.352 4.868 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1Cc2cccc(Br)c2C1 1595877780 AGWQXLRXQCHVEG-GOSISDBHSA-N 449.418 4.722 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1597008589 XNGVDSXHSYBFQL-ZCYQVOJMSA-N 426.988 4.802 30 10 IJEE C=CC[S@@](=O)(=NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 1618589979 SJGGAZHFOFQZJQ-DEOSSOPVSA-N 428.735 4.721 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)C(=O)OCC 1624251994 OOEKWNBQMYOHES-JOCHJYFZSA-N 438.911 4.715 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1 1627436555 YOGJJYQEZIIXAH-IIMAJNMQSA-N 436.499 4.681 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 1627614092 BOMPFCPFTSKXJN-NRFANRHFSA-N 428.561 4.955 30 10 IJEE C[C@H](NC(C)(C)CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1 1628042906 ALMAVPYPDWBMAY-FQEVSTJZSA-N 427.548 4.996 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 1630153507 DUBDQVFCWHBILZ-UHFFFAOYSA-N 427.957 4.998 30 10 IJEE C=CCC[C@H](NC(=O)NCCC(=O)N1CCCCCC1)c1ccc(C(F)(F)F)cc1 1630459985 CPEHRYJIGPXJIV-IBGZPJMESA-N 425.495 4.805 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(F)c(Br)ccc3[nH]2)cc(OC)c1OC 1631480513 VZERZVWUYIRVFH-UHFFFAOYSA-N 447.304 4.745 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCOc2ccc(Br)cc21 1636314265 FDHCFFPJBGIWST-ILZDJORESA-N 431.374 4.886 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccsc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640555862 AUAVDZOBPNPEAW-SJKOYZFVSA-N 446.619 4.837 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1643257200 GEOUBWKPOIJPBU-ICSRJNTNSA-N 444.560 4.585 30 10 IJEE C#CCCCCCCSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC 1643381260 LFIQDGDWOXXOBP-UHFFFAOYSA-N 433.643 4.907 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(OCC)cc1)C(=O)OC 1643757372 IQEKFBNIKHPQST-IBGZPJMESA-N 427.501 4.682 30 10 IJEE C#CCN(CC(=O)Nc1c(Br)cc(C)cc1Br)C1CCCCC1 1644483053 XFKUSTHQHCCMRR-UHFFFAOYSA-N 442.195 4.726 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 1644837245 BDBAOFFKLVDKEY-AREMUKBSSA-N 440.547 4.690 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN(Cc2ccccc2)[C@H](CO)c2ccccc2)c1C 1655340733 HFHXXQWYQGLNNX-HHHXNRCGSA-N 441.575 4.786 30 10 IJEE C=CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1659459209 SVEBWKKDWLPJND-QFIPXVFZSA-N 434.502 4.934 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1 1660031136 FCSLGPLLFOAAMF-UHFFFAOYSA-N 445.519 4.697 30 10 IJEE CC[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@H](CC)CN1C(C)=O 1661860145 FKODCDOSYIYETP-NHCUHLMSSA-N 436.581 4.963 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 1662576886 AQCRLXMUZALYAM-PKOBYXMFSA-N 445.357 4.644 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1666774393 FPLZBHOLJMDTLF-UHFFFAOYSA-N 439.512 4.732 30 10 IJEE Cc1cc(Br)c(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)C(C)C 1666789651 HOWNFCVETHSDNA-UHFFFAOYSA-N 441.778 4.882 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 1668996715 UZQNROWFYOJERY-HHHXNRCGSA-N 444.506 4.706 30 10 IJEE C#CC[C@@H](NC(=O)NCc1ccc(I)cc1Cl)c1ccccc1 1670715787 DFGWEQACNJJJCZ-QGZVFWFLSA-N 438.696 4.508 30 10 IJEE C#CCC1(O)CCN(C(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)CC1 1672035657 BOWZXQJZBWEYLV-UHFFFAOYSA-N 433.335 4.846 30 10 IJEE N#CC1(CNC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)CC1 1680656466 DKERCSUOBYVENC-UHFFFAOYSA-N 443.378 4.714 30 10 IJEE C#C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1682076672 NFDOAMMZWWCNMA-INIZCTEOSA-N 429.757 4.580 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 1682683164 IPNIHYWXHGKGPZ-YJBOKZPZSA-N 440.466 4.580 30 10 IJEE C#C[C@H](NC(=O)N(CCOC)Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1F 1683688579 FZCRQBGQSPGTHT-IBGZPJMESA-N 427.278 4.804 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cc(C)ccc12 1689866835 LNRAGUHTSZHBSS-QTGUNEKASA-N 433.600 4.687 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1690024207 WNUFSZHHFQAFIE-RTWAWAEBSA-N 428.502 4.820 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cc(OC)ccc1OC(F)F 1690264055 OITNGSAJXZKKNV-LJQANCHMSA-N 436.503 4.580 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1690350443 KHJIYGFUJQZFEG-UHFFFAOYSA-N 432.355 4.509 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](c2cccnc2)C(C)C)CC1 1690377531 GKXPTPGLVPPNBF-QHCPKHFHSA-N 431.584 4.869 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1690408289 CQJDKBPRPVEFCC-FQEVSTJZSA-N 432.616 4.815 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCCCCC2)CC1 1690415391 JYXUCJSFLXZMHZ-UHFFFAOYSA-N 438.616 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1690433679 ZGZKOMFWEVTFDF-UHFFFAOYSA-N 444.023 4.581 30 10 IJEE C=CC[C@H](Cn1c(N2CC=C(C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690446425 AGFMHINPVOVGLA-BVAGGSTKSA-N 436.600 4.835 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1690488715 SKJNQHVLCJIJQA-NRFANRHFSA-N 441.938 4.601 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690493530 KRWQJGLFSPILOK-DEOSSOPVSA-N 442.629 4.619 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCCc1c[nH]nc1C)C1CC1 1690539679 IODOJGSSQZQNHX-UHFFFAOYSA-N 447.406 4.588 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@H](C)C1 1690560653 XRHZIGQRONUGII-LGVFNWMJSA-N 449.599 4.789 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCSC(C)C)C1 1690688125 OUYWVZWGTSZRCR-NRFANRHFSA-N 426.630 4.671 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCSC(C)C)C1 1690688126 OUYWVZWGTSZRCR-OAQYLSRUSA-N 426.630 4.671 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690738110 GBXCRLGLHZNRJI-BBRMVZONSA-N 446.926 4.674 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CCc1cccnc1 1692911480 DDOCLIKXBWDBFD-QGZVFWFLSA-N 443.580 4.611 30 10 IJEE C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1)N1CCC[C@@H](C)C1 1693662734 AYWBVYOFBYUWIB-YDIMBITNSA-N 441.023 4.849 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1 1696536561 APQBZEQLZUMCIM-LEWJYISDSA-N 441.645 4.990 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)Sc1ccccc1 1705479847 MOTDZAAHVBQEAI-CABCVRRESA-N 444.402 4.674 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)Cc1cccs1 1705489116 KDORKFNXFZMLIU-OALUTQOASA-N 430.581 4.529 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)CC1 1705510581 UBUIATDUDNIYFS-QFIPXVFZSA-N 435.616 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(C)CCCS1 1705668727 SEGNQWXAQRUTLZ-IMRHEYAYSA-N 428.577 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1705699307 FGWFEWUHNQJKLD-IVOMFYJKSA-N 428.552 4.837 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@H]1C(=C)C 1705712152 LGNSAYXDRGAEQT-UWJYYQICSA-N 430.980 4.991 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1705804812 NQNADDLLXVFDON-UHFFFAOYSA-N 447.583 4.627 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1CCOc1ncccc1Cl 1705858206 RWVWXRCSFQQNMT-UHFFFAOYSA-N 436.947 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CC1(SC)CCN(C)CC1 1705864126 RMMZMEGPQGWDOI-SFHVURJKSA-N 433.691 4.873 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1CCc1coc(-c2ccc(C)cc2)n1 1705874850 YKIYMGSYXIHADL-OAQYLSRUSA-N 433.556 4.557 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CCN1CCCC(C)(C)C1 1705877872 PAOSQTFWKLFJGO-UHFFFAOYSA-N 446.643 4.641 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCc1nc(C)c(C)s1 1705882354 UNTUIWMEGHMMJJ-UHFFFAOYSA-N 449.983 4.692 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](n3nc(C)cc3C)C2)cc1 1705909840 JKHBYTYRGROVDS-JOCHJYFZSA-N 434.588 4.669 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1706746450 AUHFANRPJHTOIH-SFHVURJKSA-N 436.604 4.782 30 10 IJEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2sccc2C)CC1 1712186059 FNANQHUUYPBDMH-UHFFFAOYSA-N 435.597 4.682 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)Cc1cc(Br)cs1 1722313054 PAQUFUVKMACTAW-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccsc1)N(CC)CC 1722350618 BQXQVXLESXHRLT-NRFANRHFSA-N 442.032 4.736 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H](C)c1nc(C)cs1 1722418597 WJYRQDUUBNRIRC-KRWDZBQOSA-N 446.555 4.688 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCCN1C1CC1 1722420816 JHGDDFPJFAGGBJ-HSZRJFAPSA-N 437.607 4.663 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cccc(F)c2[C@H]1C 1722455670 VWKHPPLANOVBMB-OAHLLOKOSA-N 441.963 4.623 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H](C)c1cccs1 1722465379 KRUDUTBFHDZEHD-SFHVURJKSA-N 426.611 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCc1cccnc1 1722512076 WKPYFGBADZBVHV-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722520420 NTDBNQZZICINRZ-JOCHJYFZSA-N 436.556 4.945 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722521263 JOWCWMWVQZOHLF-KRWDZBQOSA-N 429.996 4.553 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@H]2CCCCO2)CC1 1722572054 KJGVYMOIXBCTMK-LJQANCHMSA-N 428.602 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)CCC2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722593144 IYYGDQRUSPQAON-KDURUIRLSA-N 431.625 4.887 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1722607658 YBPGEVLWBIHWEJ-LJQANCHMSA-N 432.515 4.766 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCC1CC1 1722618397 QOOLDOKNYSVLGH-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1C 1722626555 FRJWSLQOZVTFJV-FGZHOGPDSA-N 426.605 4.734 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1722642718 MPRHTTPRMSJIAC-KDURUIRLSA-N 432.012 4.501 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1nccc(C(F)F)n1)C1CC1 1722654345 VLHOZSHTIJUDIM-UHFFFAOYSA-N 442.539 4.810 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1722668636 VKUYRPRPERIULO-HKUYNNGSSA-N 441.576 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCSc1nccs1 1740550794 JLYZYIPMCRVDQX-HNNXBMFYSA-N 432.018 4.619 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740582751 RDUWQFGEGBRRFL-FQEVSTJZSA-N 432.572 4.731 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1sccc1C 1740604294 BKXLEKBBTXLTRB-UHFFFAOYSA-N 429.387 4.698 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc2cnccc2c1 1740743616 ALHFZPRENGZAHD-IBGZPJMESA-N 442.361 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CCCC1 1740760799 RVZYTHBEMQWOHK-JPYJTQIMSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740770300 NLZPDHWAMGJXTK-KDURUIRLSA-N 432.012 4.500 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740779536 LIMLOMJUBOEALB-NRFANRHFSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1740820679 MVUGQKFEYKHFBL-KDURUIRLSA-N 444.023 4.643 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@H](C)C2)CC1 1740830155 XTFUMZCWZIEDCT-ZCNNSNEGSA-N 429.609 4.943 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCSC[C@@H]1C)c1ccccc1 1740854404 GMLPGSYBQLRLSF-PXNSSMCTSA-N 439.654 4.935 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740919446 GTIAGALOVYORGM-SYVJQLTCSA-N 437.632 4.833 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccsc1 1740935739 VVRLFULMGZEBJA-RUZDIDTESA-N 445.592 4.544 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H]1CCCCO1 1740998165 KMMNACVHSHDJTC-KRWDZBQOSA-N 437.009 4.532 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740999786 OHJMOOSXYSRXNN-LJQANCHMSA-N 441.626 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)COCC 1748876878 XIXREVYNDOYUIF-UHFFFAOYSA-N 433.383 4.778 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 1749296807 VBWGOLLJSYKWGM-RUZDIDTESA-N 442.604 4.696 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749415629 QDWMVPFWRLYKKW-NVXWUHKLSA-N 430.478 4.936 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1749419821 QUDXXZSMNSYHRE-UHFFFAOYSA-N 449.578 4.599 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1cc(Br)ccc1OC 1749574429 UTIBTFYDNIVYLB-LJQANCHMSA-N 447.377 4.518 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCN1C1CC1 1750791905 CXTMUWNEODPXGS-XMMPIXPASA-N 445.615 4.600 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC[C@H]1C 1760132486 NWQWQBJHAOPIOS-MRXNPFEDSA-N 433.419 4.761 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCSCC=C 1760211337 FXMOBOZOSXOLCZ-UHFFFAOYSA-N 447.633 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCOc1ccc(Cl)cn1 1760292637 GMKAGNHMXTZDNC-JOCHJYFZSA-N 442.350 4.718 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1760308458 GAHKTXYTPVHHGD-CVEARBPZSA-N 425.415 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@H](CC)C1 1760325502 QDMHPUCLPFQOKM-DWLFOUALSA-N 447.048 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C1CC(C(C)(C)C)C1 1760338020 ODRSQFATWQNGLV-UHFFFAOYSA-N 437.636 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1ncc(CC)s1 1760340645 IMLAXGPZGQCFDW-UHFFFAOYSA-N 431.993 4.980 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2Cc2c(C)nn(Cc3ccccc3)c2C)CC1 1760389465 KVZIZEPEDXHEDW-UHFFFAOYSA-N 432.616 4.933 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(C)c2ccccc2F)CC1 1760400850 PXOLBCNTHZSOSU-UHFFFAOYSA-N 434.563 4.717 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC[C@@H]1C 1760409051 YANVRKKEDRMLMF-IBGZPJMESA-N 436.556 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NC(C)C)CC1 1760414494 SOZZOYLIAARMKQ-UHFFFAOYSA-N 434.632 4.919 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1760425759 VFWDAYPVHMSJEU-ZRBLBEILSA-N 429.653 4.967 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN(C(C)C)C1 1760496632 ASADQALEXLCABU-QFIPXVFZSA-N 432.616 4.580 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1760496731 DPQGSDUKIMALGM-TZIWHRDSSA-N 443.636 4.835 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC=CCC2)C1 1760537696 QXSKRRDGSGHTSV-PKOBYXMFSA-N 428.964 4.745 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H](SC)C(C)(C)C)C1 1760545097 NJOSLSZZCBEREB-UTKZUKDTSA-N 439.629 4.985 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1760562022 UUSGGPKKVRNKDG-QZTJIDSGSA-N 430.618 4.752 30 10 IJEE CC1(C)CCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1761542204 FDMRXOMMZZCFNM-PKTZIBPZSA-N 445.970 4.809 30 10 IJEE CCN(CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N)C(=O)OC(C)(C)C 1765229283 GYOUQDLXIQOYFP-INIZCTEOSA-N 446.983 4.594 30 10 IJEE CCCOc1ccccc1/C=C1/SC(=Nc2ccc(O)cc2C(=O)O)N(CC)C1=O 1772760958 KAWJOZIEZVOGMU-PTOVGEMASA-N 426.494 4.503 30 10 IJEE Cc1cccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2cccc([N+](=O)[O-])c2)c1 1859412664 IKYMHDGLIOKWBY-UHFFFAOYSA-N 437.459 4.939 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2cccc(C(=O)OC(C)C)c2)cc1OCC 1860728479 OEJPXZQKXSWFMG-ZRDIBKRKSA-N 439.508 4.660 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 1861216407 GIFVDCXCOYMOBN-LOSJGSFVSA-N 443.676 4.906 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1862384270 QJLWMNNVTQKYKG-KRWDZBQOSA-N 434.275 4.678 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cc(Br)ccc1F 1862453829 IWMAHBCZSMIXEA-MRXNPFEDSA-N 438.680 4.840 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1 1862475670 RPYBFLKSJMNUKG-DEOSSOPVSA-N 427.500 4.830 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2C)c1 1862554408 BUWLJJNJJVPJED-DEOSSOPVSA-N 426.516 4.973 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862641017 UZIVCGMITYXMBS-SZNDQCEHSA-N 427.472 4.610 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862676392 IGEFTOVNSZYHLG-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(O)c1 1862713899 ZJRMRMRLTRJMCK-QHCPKHFHSA-N 431.488 4.550 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CC2)cc1 1862760719 UZVUVRARHOYYGE-NRFANRHFSA-N 436.464 4.514 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2ccc(F)c(Cl)c2)C1=O 1863053177 ALBHWSJMPXIEDK-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(F)c3)C2=O)ccc1F 1863094424 XSQFKCYBOZSRNU-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863705011 ZAYXYZSGERLXLH-CBKZDSQWSA-N 448.607 4.934 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCn2ccnc2)=C(c2cc(C)ccc2C)C1=O 1863740738 BHCGVCZPOWSJLM-UHFFFAOYSA-N 436.600 4.620 30 10 IJEE CC(C)COc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cccc3ccccc23)cc1 1870112013 LULSBRPDYQTCMY-UHFFFAOYSA-N 425.492 4.638 30 10 IJEE C[C@@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)C1 1870349062 YIBQXTCOCOMZDD-OAQYLSRUSA-N 427.548 4.579 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCCC1 1870557483 SXOBBJCWUUEALF-UHFFFAOYSA-N 444.572 4.763 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(C)c(Cl)c2)cc1=O 1871006259 XFDRHXVXPONEBF-UHFFFAOYSA-N 429.992 4.556 30 10 IJEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1cccc(N(C)C)c1 1871266421 BSTASFJDNHHYHW-UHFFFAOYSA-N 429.605 4.648 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871366263 ATBPLLIBFYUXFS-HAHDFKILSA-N 430.456 4.994 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc(OC(C)=O)c3)c2C)C1=O 1871390342 QZLOTACKAYOKQV-UCQKPKSFSA-N 444.439 4.764 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c1 1871418270 WDRCZIAMPHSXRS-OYKKKHCWSA-N 436.435 4.917 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3cccc(C)c3)cc(C)c2C1=O 1871456127 NRXXYJCFTXENFM-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602450 PUKUFWMORMGMEY-UHFFFAOYSA-N 442.611 4.689 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871908547 DXEMFZJKBVFPRP-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CC 1872163298 QTHQPXPFTNWSSX-JOCHJYFZSA-N 438.634 4.837 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872418860 JYHSXIZDXLXQFF-DEOSSOPVSA-N 434.561 4.942 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 1872612853 HYUPZNFJWBMVNV-HXUWFJFHSA-N 431.042 4.900 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4cc(F)ccc4F)CC3=O)sc2C)cc1 1872725942 CIEZBGQFWHCBKG-UHFFFAOYSA-N 427.476 4.512 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(NCc3ccccc3)ncnc21 1873608990 TYVDSTROKIBZCF-UHFFFAOYSA-N 426.524 4.548 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(NC(C)=O)c2)cc2c(NCCCCCC)ncnc21 1873638717 HNIHPXDVIBGSNQ-UHFFFAOYSA-N 434.544 4.820 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(N(CCC)CCCC)ncnc21 1873659276 JTVYYELNMGYIPE-UHFFFAOYSA-N 436.516 4.794 30 10 IJEE Cc1cc(OCCCc2nnc(SCCO)n2/N=C/c2ccccc2)cc(C)c1Cl 1874194120 YOKKHIQMDKPHCI-BUVRLJJBSA-N 444.988 4.527 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1 1874281483 LONLFQGQDCHGDZ-BUVRLJJBSA-N 442.972 4.644 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2/N=C/c2cccc3ccccc23)cc1C 1874322700 FQLBDDWULCAYBJ-MFKUBSTISA-N 432.549 4.594 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(O)c(O)c2)cc1 1874373135 JGCQKTDQXQJQBR-VULFUBBASA-N 448.523 4.902 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)ccc1O 1874447791 MJDSXSQYAKZCAP-BBMHEYIBSA-N 442.516 4.548 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CC2)cc1 1874516027 CAHCSBWAIRGKKY-MFKUBSTISA-N 449.580 4.866 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)o1 1874519332 NWDZDELSLOQKAD-WYMPLXKRSA-N 435.509 4.581 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CC)nnc1SCc1ccc(C(=O)OCC)o1 1874525237 DEZGUPDTKODPHE-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(OC)c2)cc1 1874609257 HFJHTPNKZAFIII-POUQMFDLSA-N 445.515 4.856 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)NCc1ccco1 1874614477 ITHJVZJAGVKHDC-ZHACJKMWSA-N 439.895 4.923 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 1874700115 CAQFAHTUAXTXLH-ZHACJKMWSA-N 432.388 4.927 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 1874748167 REYOYQKDXFAPNH-UHFFFAOYSA-N 441.369 4.877 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875145834 VXPPMEGPNCOFAF-MDZDMXLPSA-N 439.464 4.912 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(OC)c2)c(OC)c1 1875177652 GULPHDULUMHDSA-YRNVUSSQSA-N 430.522 4.657 30 10 IJEE CC(C)c1cc(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c2cc(F)ccc2n1 1891282077 ITPWLIRIUFELPO-GOSISDBHSA-N 432.499 4.695 30 10 IJEE Cc1ccc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)c(Cl)c1 1892138011 QKPGAYSFJJJXLC-RTWAWAEBSA-N 427.957 4.552 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1949122198 JOCWSQUSLPZDKE-HRAATJIYSA-N 436.557 4.901 30 10 IJEE Cc1cc(Br)c(F)c(C(=O)N2CCC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 1965483328 ZDKAOJJQOBKWSQ-ZDUSSCGKSA-N 426.135 4.595 30 10 IJEE CC(C)(C)OC(=O)N(CCC(C)(C)Oc1ncnc(Cl)c1C#N)Cc1ccccc1 1986474767 WMPIFTLHHDWBFV-UHFFFAOYSA-N 430.936 4.986 30 10 IJEE C=CCC[C@@H](COc1nc(Cl)nc(Cl)c1Br)NC(=O)OC(C)(C)C 2012510857 UOGCOEZWVHQEPQ-VIFPVBQESA-N 441.153 4.784 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 2020331958 JCYVQMVRLJZPNZ-XUVXKRRUSA-N 437.625 4.615 30 10 IJEE CC#CC[C@H](COc1ncc(Br)c2ccsc12)NC(=O)OC(C)(C)C 2078079949 VPEXDZLXJANOQR-GFCCVEGCSA-N 425.348 4.744 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)c(O)c1 2079007188 OKHJBBMEEOVMAX-GOSISDBHSA-N 435.309 4.886 30 10 IJEE Cc1nn(-c2ccc(C(F)(F)F)c(F)c2)c(I)c1C(F)(F)F 2079683882 XPSIKLKWJVWFGH-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(-c3ccccc3)c(C#N)c2Br)C1 2080352054 DKRASXPRBWIXTN-OAHLLOKOSA-N 431.334 4.756 30 10 IJEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(c2cc(Br)cc(F)c2C#N)C1 2118187897 ODOSIPOWBDAXCH-GXTWGEPZSA-N 426.330 4.589 30 10 IJEE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)c(C#N)cc1F 2118198096 CECYOOSVBHFUAS-QWHCGFSZSA-N 426.330 4.589 30 10 IJEE Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1cc(Br)ccc1C#N 2129305283 FOHLKSXGMXNOJJ-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE C[C@@H]1C[C@H](CCNC(=O)OC(C)(C)C)CCN1Cc1ccc(Br)cc1C#N 2174564703 GIMUVZFWCWMGPO-HZPDHXFCSA-N 436.394 4.836 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CN(c2ccc(C#N)c(Br)c2)C2CC2)CC1 2174809712 CWUVOLGYSQEXQP-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCCC[C@H]1CN(c1cc(Br)c(C#N)cc1F)C2 2174821481 IBYRJUDHOSYODP-XOBRGWDASA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)Nc2cc(Br)ccc2C#N)C1(C)C 2186215126 RMZXCABVCGARRY-CJNGLKHVSA-N 436.350 4.589 30 10 IJEE N[C@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)o1 2220271109 YBCHQZLVTTYNPB-LLVKDONJSA-N 433.925 4.619 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CCC1CCN(C(=O)OC(C)(C)C)CC1 2235717014 IOMXKBARUQLXAM-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@@H](N)C#Cc2ccccc2Br)CC1 2235747623 RJFBSJXELMAMBQ-DJPFJPOOSA-N 439.369 4.551 30 10 IJEE C=C1CC(COc2nc(Cl)nc(Cl)c2Br)(NC(=O)OC(C)(C)C)C1 2246873160 HXSNICJFWNGUGX-UHFFFAOYSA-N 439.137 4.538 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1sc(Cl)cc1Br 2250729678 PAOQQJCSGMJHKQ-DLBZAZTESA-N 430.795 4.949 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2255661054 DYHAPXDKHCEDRD-UHFFFAOYSA-N 429.316 4.562 30 10 IJEE CC1(C)OB(c2cscc2C(=O)Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2255812889 LEOLGURZFQOVST-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C=CCCC1([C@@H](O)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2266305224 LUSBMDOXCIUQSC-KRWDZBQOSA-N 426.351 4.694 30 10 IJEE N#Cc1cc(F)c(Nc2cc(F)ccc2I)cc1Br 2271689998 PVSBYVFQYXGRFW-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC1(C)OB(c2cc(NCc3cc(Cl)ccc3Br)ccc2N)OC1(C)C 2283014736 HYBMDSAESNNASB-UHFFFAOYSA-N 437.574 4.596 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(c3ccc(C#N)c(Br)c3F)[C@@H]2C1 2290258684 JDFRCCBZYUFXTJ-CZUORRHYSA-N 438.341 4.686 30 10 IJEE C[C@H](C[C@H](O)C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296228653 BCODRRFSCLGOCF-IMFGXOCKSA-N 436.390 4.835 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296229408 JFFARMMEPSDIHM-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](N)(C#Cc2ccc(Br)cc2)CC12CCCC2 2296233209 VJXKJPVSSMRUPO-NRFANRHFSA-N 433.390 4.842 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@H](N)C#Cc1cccc(Br)c1 2296280000 VRAFXLBYZZOEBV-KNQAVFIVSA-N 435.406 4.992 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296294572 VUAWFIOCKHMCAL-RTBURBONSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2296299223 SIYZUUWJDPRHJX-RTBURBONSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 2296307263 RSLLJMMAJDSYLF-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 2308471373 FFSARNOSYJRGFK-LSRZYVKLSA-N 443.544 4.728 30 10 IJEE COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2318413614 PAFLASNLCNDOIV-UHFFFAOYSA-N 436.424 4.845 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C3CCC3)ccc2C1=O 2322815653 IKSQXVSVUFJZEJ-UHFFFAOYSA-N 429.266 4.779 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3OC(=Cc3ccccc3)C4=O)CC2)c1 2324186281 RVODRUDXXZZVLZ-UHFFFAOYSA-N 440.543 4.947 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C=Cc1ccc(C(=O)OC)cc1 2325817198 JSPLHMLVWDMYEE-UHFFFAOYSA-N 430.589 4.638 30 10 IJEE COc1ccc(Br)cc1C=Nn1c(C)nnc1SCc1ccc(F)cc1 2326238004 GPYALWZEDWLFNV-UHFFFAOYSA-N 435.322 4.671 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2326538162 VKKPQDQMSPKTIH-UHFFFAOYSA-N 443.916 4.887 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc(OC)c1 2326661010 WBGHCBSCTKBUBB-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCCOc1ccccc1C=Nn1c(COc2ccc(OC)cc2)nnc1SCC 2328371822 NILGADPIPYVZDC-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc(Br)cc1 2328765364 NMMNCLPXJLWTCT-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(O)c(OCC)c1 2329348092 ROTSIBMRVJCYEL-UHFFFAOYSA-N 438.553 4.650 30 10 IJEE CSCC[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 2329611601 NCYIGHAXFVBMCQ-DEOSSOPVSA-N 447.604 4.845 30 10 IJEE COc1cc(C=NNC(=S)NCc2ccccc2Cl)ccc1OCc1ccccc1 2330453931 GCIJBMUGBOGWNW-UHFFFAOYSA-N 439.968 4.926 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)c1 2330545664 GRTQSINZCWGRML-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C=Nn2c(SCCO)nnc2-c2ccco2)cc1 2331230113 ROWCOOZNEVXHLJ-UHFFFAOYSA-N 447.564 4.531 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)(C)C)c1 2331376595 WIBMTYMVKWOXPE-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccc(Cl)c1 2331414267 RKKUOOPPOBQHFT-UHFFFAOYSA-N 441.988 4.520 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331630200 BUGRXUWVQZALKC-UHFFFAOYSA-N 447.486 4.862 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccccc1Cl 2331687384 ALOUJDUHSBSGRT-UHFFFAOYSA-N 427.961 4.976 30 10 IJEE COCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1OC 2331859911 GFVZDRSZLFOMDU-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339535511 MPDVEPDVHGMMGC-ZWKOTPCHSA-N 443.397 4.560 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 2358670787 BETUETVVGJZKCF-UMGGQSCQSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@H](N)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360197230 ILSLFIQELDRHTD-IYWMVGAKSA-N 433.390 4.554 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2363626743 BMQYYZAYKFKMCY-OALUTQOASA-N 449.414 4.586 30 10 IJEE CC1(C)OB(/C=C/c2ccc(=NCCc3ccsc3Br)[nH]c2)OC1(C)C 2365114612 ZDWJUIBUAYJVLE-JXMROGBWSA-N 435.196 4.627 30 10 IJEE C=CCn1c(SCC(=O)N(C)CCCC)nc2scc(-c3ccccc3)c2c1=O 9041618 SKSAOBJAICJIPJ-UHFFFAOYSA-N 427.595 4.662 30 10 IJEE COc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)cc1Br 16037968 JQLLMUOVGXVQGB-SMMHRJPGSA-N 439.353 4.990 30 10 IJEE C/C(=N\OC(=O)COc1c(C)cc(Br)cc1Br)c1cccs1 33565534 VONBKXJPUXHDFC-VCHYOVAHSA-N 447.148 4.928 30 10 IJEE C/C(CCc1ccc2c(c1)OCO2)=N/Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 34722198 DFWLQYFNWZMXTH-YVNNLAQVSA-N 440.334 4.671 30 10 IJEE O=C(Nc1ccccc1F)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 34916929 PTJJZSBGPSQLHX-LBPRGKRZSA-N 448.338 4.851 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 36304825 UCWGFHUOLCDQOF-DEOSSOPVSA-N 447.579 4.809 30 10 IJEE C[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1sc2c(c1C#N)CCCC2 40169839 BKVQMXAZGZPVLH-CYBMUJFWSA-N 433.562 4.814 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(C)c4)ccc3C2=O)c(OC)c1OC 41355373 KALVNNJOJVMBJG-XKZIYDEJSA-N 446.455 4.856 30 10 IJEE Cc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3Cl)n2)c1 59015636 BOAXREBFSQCNCV-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)NCc1ccc(Cl)c(Cl)c1 59311203 DLSLVDLXJYZSCH-UHFFFAOYSA-N 441.388 4.642 30 10 IJEE CC(C)(C)NC(=O)CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1 59517504 SAISADVGGZZNJL-SRZZPIQSSA-N 428.539 4.962 30 10 IJEE CCOC(=O)c1cccc(/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 59678252 ZICIYUJYIIFGOW-CVKSISIWSA-N 433.460 4.900 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2OC)S/C1=N\c1ccc(C)c(Cl)c1 100194276 ZDUIMYOZGXIUDM-GLEDVZQVSA-N 431.945 4.637 30 10 IJEE Cc1nc2c(cc(OCC(=O)N[C@H](C#N)c3ccc(F)cc3F)c3ccsc32)s1 111223195 CPCGEEUXNORWRY-OAHLLOKOSA-N 429.473 4.858 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Br)sc1C 122289190 LTULSFYMDSKVKU-UHFFFAOYSA-N 426.810 4.911 30 10 IJEE COc1cccc(/C=N\n2c(S)nnc2COc2ccccc2)c1OCc1ccccc1 169914222 OJDRQAWJIVQHBT-MYYYXRDXSA-N 446.532 4.616 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 169961750 HGZHTHJBLPNDCK-NRFANRHFSA-N 435.863 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccn1)c1cccc(Cl)c1 169998441 NMGQYGGSHWLZMZ-NRFANRHFSA-N 436.870 4.695 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C 170057200 SOYRCVXBCIEHHO-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccc(F)cc1 170065010 OGXDIZSDFRQXMX-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)c1 170067493 RVHDYJZZWOQUNR-XMMPIXPASA-N 442.515 4.992 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@H]3c3ccco3)nc2c1 170098480 YAEMENSLNDEYOC-LJQANCHMSA-N 433.851 4.901 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccs1 170161366 SKRBKOFIIUKORE-OAQYLSRUSA-N 433.485 4.611 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)cc1Cl 170185563 HVJMMHYMRXCSMS-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccncc1 170210569 QKNDBAUCVBONGP-LJQANCHMSA-N 433.533 4.892 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Br)c3)[C@H]2c2cccnc2)cc1 170355909 ANRSSOXAMQGOOW-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE C=CCOC(=O)C1=C(C)N=C2N=C(SCc3ccccc3)NN2[C@@H]1/C=C\c1ccccc1 207302183 NVTMEYPLDLJNJZ-DDAIRQTISA-N 444.560 4.551 30 10 IJEE COC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)S/C(=C\c2ccc(N(C)C)cc2)C1=O 210367783 LMLYFPNOMFAPBR-ATVHPVEESA-N 448.466 4.925 30 10 IJEE O=C(CSc1nnc(N/N=C/c2ccco2)[nH]1)N1c2ccccc2Sc2ccccc21 253560863 BJAYYLSTBWZQMF-WSDLNYQXSA-N 448.533 4.765 30 10 IJEE C=CCNC(=S)NN=Cc1ccc(OC)c(CSc2nc3ccccc3s2)c1 254572714 HJDTWQKQUPCSAY-UHFFFAOYSA-N 428.608 4.581 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCCC[C@H]3c3ccc(F)cc3)n2)c1 441241305 YPBUEAUDKLKXMT-FQEVSTJZSA-N 434.496 4.513 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 460780840 SEHYCTDNVRURRP-QPPBQGQZSA-N 430.600 4.502 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508489258 MPBNLPIBVUEFTO-QHCPKHFHSA-N 428.536 4.548 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(Oc2ccccc2Cl)CC1 508699535 OHFHLHDMTFWTDK-UHFFFAOYSA-N 439.903 4.741 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H](OCC(F)(F)F)C2)nnc1C(F)(F)Oc1ccccc1 549321701 IJWSAPPBAGDAFY-MRXNPFEDSA-N 446.420 4.530 30 10 IJEE Cc1ccc(OCCCC[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 586352202 TVELNBMCFPRBIL-ZQHDKMAOSA-N 444.622 4.599 30 10 IJEE COc1cc(OC)c(C2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)c(OC)c1 735307041 XNYMFRJOYXSQGJ-UHFFFAOYSA-N 430.932 4.648 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 735310121 QIPLTWNFYFUGFE-HXUWFJFHSA-N 433.980 4.854 30 10 IJEE C/C(=C/C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 778111213 RKZKWULKXIMMCB-SDXDJHTJSA-N 427.470 4.783 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 802556717 YTXUKFGRCWBJDS-ICSRJNTNSA-N 443.592 4.861 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 915117726 DIJCLGFGLDNXEW-LJQANCHMSA-N 447.608 4.774 30 10 IJEE CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3cccc(Cl)c3)S2)cc1 1084092170 WIMJAWUVYHLNHS-GOSISDBHSA-N 431.945 4.719 30 10 IJEE Cc1cc(N=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc([N+](=O)[O-])c1C 1084416506 BVFNYFVFGYLVFY-UHFFFAOYSA-N 435.436 4.766 30 10 IJEE Cc1c(C#N)c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)n(-c2ccccc2)c1C 1124960660 DKHPCXMGPSZSIA-UHFFFAOYSA-N 431.496 4.960 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(Br)c1Cl)c1ccc(Br)cc1 1129730400 GWQDVPXUZDTHOF-CQSZACIVSA-N 427.523 4.969 30 10 IJEE C#CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CCCc2ccccc21 1134316287 NFZGFQAQIIGJAR-HXUWFJFHSA-N 427.298 4.819 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)c1 1134626968 WIHXNFFDYOHPNT-LAUBAEHRSA-N 442.581 4.838 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)c1C#N 1136449376 GMLSCKYFLJNAKF-UHFFFAOYSA-N 427.489 4.864 30 10 IJEE CCC(CC)CN(CCC#N)C(=O)c1cc(Br)cc(Br)c1O 1136679263 GIBNRNQDIUJUHZ-UHFFFAOYSA-N 432.156 4.709 30 10 IJEE C#CCCNC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1146488503 LAMDYTDLSDRNHC-FQEVSTJZSA-N 430.548 4.567 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 1148991242 IVEZHWGIOJDZCE-ZCNNSNEGSA-N 438.996 4.764 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1160487879 IQDTZSIUBNVFFO-QGZVFWFLSA-N 446.960 4.580 30 10 IJEE CN(Cc1ccc(F)c(C(F)(F)F)c1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 1180164720 ARPKQRSYXWOTCR-AWEZNQCLSA-N 425.344 4.735 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCc3ccccc3OC2)cc1OCC 1202151083 PLGXNWMUVKDQGR-GOSISDBHSA-N 432.358 4.896 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c(C(F)(F)F)c1 1210301384 GNQZECPQDUDRIG-FQEVSTJZSA-N 444.478 4.882 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1F)c1ccc(C(F)(F)F)cc1 1211148988 PQUCTGIJIITFGS-KRWDZBQOSA-N 445.434 4.617 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cnn(C(C)(C)C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1219604365 YWGCKWLDJVCITD-KRWDZBQOSA-N 438.450 4.639 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1)C(C)C 1220597815 JOTUHSBZXAARCS-VWLOTQADSA-N 438.616 4.764 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)NCCSCCOc2cccc(Br)c2)C1 1221994238 OONNJLAFZFLZEH-MRXNPFEDSA-N 427.408 4.559 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2ccc(Sc3ccc(C)cc3C)cc2)CC1 1228516215 HGITXGYEJNOHDL-PKTZIBPZSA-N 437.609 4.630 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21 1264208380 BIXXPGSBYDXINO-ZDUSSCGKSA-N 439.762 4.805 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC2(C)C)c1 1269726179 HIQHIMJVCKNZOX-UHFFFAOYSA-N 432.973 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](CC)C1 1286552792 SHTAQKZJUPKUOU-FVJLSDCUSA-N 430.980 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(F)(F)F 1286552990 OXIBIQVPAIUSLX-DAYGRLMNSA-N 442.457 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1286556285 BXHPOXOHFVXNOE-PWHSHALESA-N 445.007 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1286569590 VQNNYKWJMLGODB-NBGIEHNGSA-N 425.621 4.867 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCOC2CCCCCC2)CC1 1286640634 LUJCRTMRCRZHEB-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2sc(C)nc2C)CC1 1286649118 STQQTQCYSILJDZ-UHFFFAOYSA-N 437.613 4.946 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)CN2CCCC2)CC1 1286663975 NOPSCWRSVGEXPJ-NRFANRHFSA-N 437.632 4.608 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(COC)CC1)c1ccccc1 1286680021 VHVIILQSPANFDJ-QHCPKHFHSA-N 431.584 4.871 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1286700600 PICNJTODPUMTJA-WOJBJXKFSA-N 445.652 4.963 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1286711630 NRBHDGIRQCMRPP-LJQANCHMSA-N 426.561 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCCCC1 1286749038 ILPTXXBSIQKTRA-UNMCSNQZSA-N 443.661 4.896 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1286762989 AGGCGCASIJLVRQ-XMMPIXPASA-N 433.600 4.717 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1287270636 BABWPQIUMKKWCJ-TZIWHRDSSA-N 425.552 4.739 30 10 IJEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2C[C@H]2CCCC2(C)C)n1 1290610654 BRDXYEQFVNBXOK-OAQYLSRUSA-N 425.625 4.732 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN[C@@H](c3ccc(CC)cc3)C2)s1 1297009285 FVVLMZITSHFMKT-GOSISDBHSA-N 436.046 4.574 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 1297859259 DVCVQRYLXKPMTO-DFQSSKMNSA-N 427.643 4.680 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C)(C#N)CC1 1300395133 WZDIGTFEAJVRNI-UHFFFAOYSA-N 446.780 4.904 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN(C)CC(F)(F)F)CC1 1301075626 LTRSFWNLTZYIPN-UHFFFAOYSA-N 427.902 4.639 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2c(CC)noc2C)CC1 1301134935 PCAXNMAOCGPVBE-UHFFFAOYSA-N 435.572 4.783 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1301148931 SVZNJONMQFBLKV-FQEVSTJZSA-N 443.567 4.704 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1Cc1nnc(CC)s1 1301365083 FZSHIVMHZAQKAQ-UHFFFAOYSA-N 428.631 4.727 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CCOc1cccc(C(F)(F)F)n1 1301379328 GREGQXLFIXSJNJ-UHFFFAOYSA-N 433.434 4.518 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(OC)CCCCC2)C1 1301557922 XTGQSNZZNVEZSQ-OAQYLSRUSA-N 445.007 4.653 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC[C@@H](F)C2)cc1C 1304407963 CBTLIFHUKWVMCH-NHCUHLMSSA-N 425.552 4.742 30 10 IJEE O=S(=O)(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1C[C@H]1c1cccc(F)c1 1309393144 DPPXNHQYRGFWCI-NUEKZKHPSA-N 441.368 4.923 30 10 IJEE C#CCN(C(=O)Nc1cccc(OC)c1C)[C@H]1CCOc2ccc(Br)cc21 1310999021 SDOKRKWFLFIXGO-SFHVURJKSA-N 429.314 4.757 30 10 IJEE C=C(C)CN1CCC(NC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 1311891255 JRUWKHLGTVUKJY-SXWKCWPCSA-N 441.616 4.792 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2)c1ccc(Cl)cc1F 1312944333 UVEVGQVOZUKAEE-GAZPGATBSA-N 449.954 4.631 30 10 IJEE C=CCN(C(=O)c1nnn(Cc2ccccc2)c1CC)c1nc(-c2ccccc2)cs1 1348497694 SHRXQWRIXMHGJQ-UHFFFAOYSA-N 429.549 4.845 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Br)cc1SC 1357293280 GENIFBCTWAIPAY-UHFFFAOYSA-N 426.339 4.920 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCc1cccc(C)n1 1358875372 OMIYIKKGBRBDOX-KRWDZBQOSA-N 438.373 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1CCCC[C@H]1C 1358891695 LCEQEJZDCUDDQB-WOJBJXKFSA-N 428.024 4.635 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1358906762 RYFAOEIQYKJMHZ-CALCHBBNSA-N 431.353 4.742 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CSCCS1 1358943025 SHNMGDUQEVKEDV-KRWDZBQOSA-N 444.626 4.731 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCO[C@@H](C)C1 1358970956 BVERZAMMTIBAPR-DLBZAZTESA-N 438.984 4.701 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@H](C)C1 1359017980 YWZVJJHTPFDBEM-FXAWDEMLSA-N 437.588 4.849 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(Cc1cccs1)C(C)C 1359057631 FAODYVANTZURRM-UHFFFAOYSA-N 446.592 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC(C)CC1 1359093116 KFHMDTCKCANVDK-HJSRJYPHSA-N 439.560 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS[C@@H](CC)C1 1359094112 XFPRDBJJMWZSGK-IHPCNDPISA-N 433.021 4.912 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1359149731 HHJRQYXKTPLKAY-IBGZPJMESA-N 432.927 4.511 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)CCOC)CC1 1359161151 RJJPQVXSRYDQBY-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359183283 HVCRIVYZUBVNOT-AABGKKOBSA-N 441.595 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359185473 XTCKWGAZLSUQKM-FQRUVTKNSA-N 438.616 4.884 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ncccc1C 1359196282 BEZHXQOQYDGWKL-UHFFFAOYSA-N 433.556 4.651 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1359257586 OPXNYRWILBJUBZ-HXUWFJFHSA-N 427.593 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@H]1C 1359262627 ZSEJKHVYJMAKRV-KOSHJBKYSA-N 433.581 4.622 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C 1359265662 KBODGZXNXGHXST-CBPXPLCBSA-N 447.693 4.549 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359273780 NUTNOUHPGSPRDV-WOJBJXKFSA-N 427.662 4.865 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC[C@@H]2C)C1 1359317722 OUJJQBPTXHPWQE-CEWLAPEOSA-N 440.588 4.570 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccs2)CC1 1359339122 TXRLABZLAZUPRH-UHFFFAOYSA-N 446.045 4.906 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccc(Cl)cc1F 1436652402 GSZPLYCENZOEGG-LJQANCHMSA-N 429.829 4.536 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1 1447708164 UZRGKVRIYXMFHC-SFHVURJKSA-N 444.494 4.792 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(Br)cc(Br)c1O 1451994989 GRYIGLNFESMFEJ-JTQLQIEISA-N 438.119 4.622 30 10 IJEE N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 1459435568 FECUZQHKUAYSHV-UHFFFAOYSA-N 433.914 4.976 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c(Cl)c1 1463153490 FWYXAIZNXXRVGF-UHFFFAOYSA-N 437.952 4.817 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccccc1 1463272563 GDNMJCSKERXCMK-SANMLTNESA-N 433.371 4.903 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)CCOCC1 1465532267 YEOOWCTWRCSAPX-UHFFFAOYSA-N 445.519 4.516 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cc1 1467145175 YYZXFRLGMVCGCE-UHFFFAOYSA-N 432.427 4.558 30 10 IJEE C[C@@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)NC(=O)OC(C)(C)C 1467778336 HNFGTJNFTUIVQR-AWEZNQCLSA-N 429.904 4.647 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 1469975208 BUPLQBDJCJPBOL-FXAWDEMLSA-N 429.351 4.643 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1472260841 BJNHTMRLOQAYIC-INIZCTEOSA-N 425.337 4.585 30 10 IJEE CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1c(C#N)cnc2c(Cl)cccc12 1472663481 CJJUKNVSMDRQGQ-HNNXBMFYSA-N 435.833 4.655 30 10 IJEE C=CCN(C(=O)CN[C@@H]1CCO[C@H]1CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1473540724 WVSIADCNDYNRPV-AEFFLSMTSA-N 440.396 4.793 30 10 IJEE C=C(CNC(=O)Nc1cc(F)c(Cl)cc1I)c1ccccc1 1476933341 MZMMRXHIZMXRSN-UHFFFAOYSA-N 430.648 4.919 30 10 IJEE C[C@H](NC(=O)N[C@H](COC(=N)O)Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 1478416041 CNOLOSHBAKEMPQ-UUOWRZLLSA-N 442.519 4.706 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 1478806601 JKHGKITWBLYNKU-BJKOFHAPSA-N 435.568 4.522 30 10 IJEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SC)C1)C(C)(C)C 1503974625 BDKJIONVGQLMOQ-UXHICEINSA-N 427.618 4.600 30 10 IJEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SC)C1)C(C)(C)C 1503974633 BDKJIONVGQLMOQ-WOJBJXKFSA-N 427.618 4.600 30 10 IJEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCCO2)n1CCOc1ccc(F)c(Cl)c1 1505324566 DYJGVOOYRNXHPQ-HXUWFJFHSA-N 447.942 4.521 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@H](C)C1 1507704341 XUCPQRVFQPDSIM-REWPJTCUSA-N 445.611 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1507817050 OWCCTVSGUGGGJX-NHCUHLMSSA-N 427.612 4.778 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSC[C@@H]1C 1507838241 NNFIOCDVGOQIGF-AWEZNQCLSA-N 427.401 4.786 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1507846332 IGPNRBHXLPEDNI-NRFANRHFSA-N 437.613 4.529 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2CN(C)C(C)C)CC1 1507901462 KBMQSANIJIQOIB-UHFFFAOYSA-N 444.627 4.555 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(CC)CC)cc2)CC1 1507901662 NPLYRBVQCRIBMN-UHFFFAOYSA-N 430.600 4.561 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@@](C)=O)CCC1 1507970055 CSGRRDWZLOJMPT-MUUNZHRXSA-N 435.018 4.737 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NC(C)(C)C 1508015139 KUAGXGONKICSNA-UHFFFAOYSA-N 441.645 4.759 30 10 IJEE C=CCc1cc(C(=O)N[C@H](CC)Cc2ccccc2Br)cc(OC)c1OC 1518567083 NRNMOEAOFFMUEP-GOSISDBHSA-N 432.358 4.946 30 10 IJEE COCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)C#N)CCCCC1 1518784179 ARXFXBQFWQYYFU-RTBURBONSA-N 443.567 4.750 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 1521765775 LXMAYMOEIZCNBY-SFHVURJKSA-N 434.561 4.919 30 10 IJEE C=CC[C@H](CC)NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 1524814826 BTFNMFQZHWUDDF-KDSXSNECSA-N 436.552 4.659 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)C(F)(F)F)cc1 1525856411 OJTNSNRJZMQZIQ-JOCHJYFZSA-N 430.401 4.999 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2Br)cc(OC)c1OC 1527380917 KSEMOARMNYWAJH-ZDUSSCGKSA-N 434.330 4.694 30 10 IJEE C#C[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)C(C)(C)C 1528107537 CKIOWDLXNABUGY-MRXNPFEDSA-N 432.471 4.792 30 10 IJEE N#Cc1c(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)ncc2c1COCC2 1529422733 HTCJGVLMWNUSMJ-UHFFFAOYSA-N 445.422 4.905 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(c4ccc(F)cc4Cl)CCCC3)cc2C1=O 1529780594 YLAWSAFASHTDPV-UHFFFAOYSA-N 440.902 4.503 30 10 IJEE CN(C(=O)[C@H](CC#N)c1ccccc1)c1nccc(-c2sccc2Br)n1 1530596416 FTVYJEWDWUYHMT-CQSZACIVSA-N 427.327 4.628 30 10 IJEE COc1ncc(NC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc23)cc1C#N 1535490655 GNCAKLCQWCIDEA-UHFFFAOYSA-N 437.297 4.711 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc3c(c2)nc(CC)n3C2CC2)cc1OC 1538377612 FXGVGWYENBOQHQ-JYRVWZFOSA-N 431.536 4.837 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 1538728245 YWILABIGBZQXMV-NRFANRHFSA-N 426.582 4.863 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1539002065 PDDIBULWEJGHAU-YYDVJCTNSA-N 433.600 4.736 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(c2ccccc2)CC1 1539034508 FIZIIZNXOYFHBB-CTNGQTDRSA-N 449.599 4.540 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]3CCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086486 GUFDUEXDEQLLQZ-MXEMCNAFSA-N 441.620 4.621 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1539096028 PHGYJGXEZKDUIK-DEOSSOPVSA-N 443.595 4.985 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC([C@H]2CCOC2)CC1 1539102466 FYRHBZFKGFBKGN-KRWDZBQOSA-N 433.383 4.918 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C(C)C)C(C)C 1539154626 QQIZAOZCEADYTP-UHFFFAOYSA-N 432.616 4.541 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1539301623 SVKDYKGGMRBIOW-FQEVSTJZSA-N 438.019 4.572 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC=CCC1 1539397009 WSRONIIDWCUEDN-RBUKOAKNSA-N 428.964 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCCCCN1CCCC1 1539547226 VUQFIPIWPMZJHP-XMMPIXPASA-N 426.008 4.857 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(C)C)C1 1539729725 KNNBSTYNDYVANR-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539836099 NUPVIBZTNBUWBA-OYRHEFFESA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1539882797 YBBJKFPILCAOAO-QZTJIDSGSA-N 440.588 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OC(C)C)CC1 1539911093 WGZHVHKVYONNMX-UHFFFAOYSA-N 426.561 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(c2ccnn2C)CC1 1539924699 XMUSQKMRZQEVMO-UHFFFAOYSA-N 448.615 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1539926673 RGDAQEKCEZAASI-QGZVFWFLSA-N 444.649 4.528 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1539960445 AOVYESWNJUWITK-VQTJNVASSA-N 448.615 4.904 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 1540027481 YNKXVHKMNKAFGX-HXUWFJFHSA-N 427.549 4.783 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccco1 1541817999 DVAPWIWBRWIOSN-GOSISDBHSA-N 447.564 4.898 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 1543388383 GZVJWLYIRQGPDR-GFCCVEGCSA-N 432.405 4.579 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)cc2)cc1 1544235266 JTLSRAMKOKWBDK-UHFFFAOYSA-N 440.499 4.989 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1(C)C 1544330979 BDZQAFPIEXYVIN-NQIIRXRSSA-N 432.572 4.585 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)C[C@@H](O)c2ccc(C)cc2)s1 1545155127 GTRKVHHATRUQTQ-QGZVFWFLSA-N 425.019 4.729 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1 1546310221 BMRJCMHNWFIOJB-UHFFFAOYSA-N 436.309 4.572 30 10 IJEE CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1547086505 GUULOXZOZILOBM-UHFFFAOYSA-N 440.592 4.746 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(-c2ccccn2)nc1 1559333246 KQMUIAHJUNDDLP-UHFFFAOYSA-N 433.512 4.932 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 1562117363 DVZPUQKOVDBCRP-SFHVURJKSA-N 431.330 4.578 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 1562929050 FWMHRWDKDKSKQR-UHFFFAOYSA-N 446.345 4.699 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)Oc1cccc(Br)c1 1564205459 GFIVDNVLHPRZFN-INIZCTEOSA-N 433.346 4.623 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1 1565796119 NNUPAGFIQJNBNQ-UHFFFAOYSA-N 442.475 4.885 30 10 IJEE C#CC1CCN(C(=O)[C@H](CCC)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1570659660 VLPTXZXBARPRER-SANMLTNESA-N 444.575 4.908 30 10 IJEE C[C@@H](C#N)CN(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1583029539 AHCMESRGUWYVRP-SFHVURJKSA-N 447.608 4.942 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 1583161967 HXYGQIHROLWZGJ-UHFFFAOYSA-N 439.506 4.817 30 10 IJEE C#C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(Cl)cc1 1584689150 GZXGCFSPUMECDF-VQTJNVASSA-N 431.761 4.730 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1587575650 ZJOGXHJZXBDFMS-LPHOPBHVSA-N 445.995 4.606 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cc(C)ccc12 1588459289 RFDPHHBZYOOTFC-FYYLOGMGSA-N 433.600 4.689 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1589304044 CRZHFRHXHLQFFA-YSTOQKLRSA-N 445.405 4.590 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OC)C1 1589347032 CLZCRNPETRQNOT-ZDUSSCGKSA-N 446.176 4.776 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1594070616 IOLMNQXBZHRJLT-UHFFFAOYSA-N 446.599 4.830 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(C)C2CCCC2)CC1 1594209116 SIRUUBKPGMPMDG-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1594582804 UQGXTGXTFPRUPA-UHFFFAOYSA-N 429.996 4.838 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1594634385 KKZJVTIDNTWBCJ-OAQYLSRUSA-N 447.558 4.859 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1594704456 XGLLBJGZKZRHDV-IBGZPJMESA-N 448.571 4.563 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@](C)(O)C1CCCCC1 1595100348 PWRPECQPDXATFT-AREMUKBSSA-N 435.616 4.872 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC(F)(F)CO1 1595178904 RPBPAVBQNAFIFZ-OALUTQOASA-N 432.515 4.638 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)Cc1cnn(C)c1 1595849721 FHUMUQKGUZKVSF-UHFFFAOYSA-N 438.645 4.922 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl 1596012624 HIGZNKMBOPRTAS-SFHVURJKSA-N 437.927 4.667 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1596821538 CUQAXDFNDHCRTG-AZUAARDMSA-N 444.624 4.569 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(C#N)ccc1F)c1ccc(Br)cc1 1596936187 GEQDHIXCBCFYIX-QGZVFWFLSA-N 448.292 4.664 30 10 IJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1611186578 OQLLZWRRBLPBMQ-QGZVFWFLSA-N 435.406 4.718 30 10 IJEE O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 1622141135 DVZLPCMYVWMEOT-SKDRFNHKSA-N 427.769 4.514 30 10 IJEE COc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3sc4ccc(C#N)cc4c3C)C2)cc1 1622162102 GQWRRUGLDODHPM-IBGZPJMESA-N 440.590 4.733 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)c3nn(-c4cccc(Cl)c4)cc3O)cc2)ccn1 1625600338 DHVXOSNDTHMZRQ-UHFFFAOYSA-N 431.839 4.543 30 10 IJEE Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c(O)n1 1625871013 FPDPHSHFYOCBTM-UHFFFAOYSA-N 448.473 4.798 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H](O)c1ccc(Cl)cc1 1627691998 CPAWTLXIPPRGHE-SFHVURJKSA-N 426.713 4.880 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc3cccnc3n2)CC1 1628099920 HYVYVFMLPWEWHJ-OAQYLSRUSA-N 438.572 4.585 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1cccc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1629238052 CXGITALPLGCRQE-IZLCOFNUSA-N 428.301 4.977 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1 1631096805 RFKUOQWNJFZFFI-LJQANCHMSA-N 432.495 4.977 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 1631146921 GGVRMQOGEVJLOL-HXUWFJFHSA-N 436.980 4.599 30 10 IJEE COC(=O)[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)Cc1cccc(C)c1 1633114505 ANXADGZDCRPAEU-QFIPXVFZSA-N 444.556 4.780 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C)c1ccccc1 1636978260 WYQHVZFMYFYAFM-PRAQEBQASA-N 428.554 4.801 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)[C@@H]2C1 1643410135 GNHFYVHRNGOVGA-XUZZJYLKSA-N 431.580 4.828 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H](C)CC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540033 IQUVVVNQDQFZKY-HZPDHXFCSA-N 447.670 4.754 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)CN1CC=C(c2cccc(Br)c2)CC1 1654076654 HMTUHROHPQTMNK-UHFFFAOYSA-N 430.733 4.702 30 10 IJEE COc1ccc(-c2nc(SCc3cnc(N(C)C)c4ccccc34)nc(O)c2C#N)cc1 1656079402 KEWJRVDAEJSHFJ-UHFFFAOYSA-N 443.532 4.636 30 10 IJEE CCCc1c(NC(=O)NCC(C)(C)N2CCC[C@@H](CC)C2)cnn1-c1cccc(C#N)c1 1660854083 DXSLLDDAYUGGGM-LJQANCHMSA-N 436.604 4.719 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 1661171679 OEMUTIRLZPKYPT-KRWDZBQOSA-N 435.414 4.989 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1665391848 WLSWUDISTDYBIN-BGYRXZFFSA-N 447.645 4.953 30 10 IJEE C#CCC1(NCc2ccc(OCc3ccc(C(=O)OC)o3)c(OCC)c2)CCCCC1 1665734727 JJVVAEZSCJQGJV-UHFFFAOYSA-N 425.525 4.860 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 1667609557 JPRFLVPKMWPEJV-NRSPTQNISA-N 429.358 4.819 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)CCCCC1 1668142150 NZJGKWRUHWIGAD-UHFFFAOYSA-N 426.538 4.730 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](N2CCCC2=O)CC1)c1ccc(C(F)(F)F)cc1 1670826605 JASSYYNKNVVPOH-PMACEKPBSA-N 437.506 4.899 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccn(Cc2ccccc2)n1 1670844954 GXPMTYVLXYGJQA-UHFFFAOYSA-N 427.302 4.903 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccc(F)c(F)c1 1671851574 GNJVBHFMGWXMRF-OALUTQOASA-N 444.400 4.904 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](COC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1672827701 FMDRZAGVDIHWAJ-APWZRJJASA-N 435.749 4.506 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCC[C@@H]3[C@@H](C)NC(=O)OC(C)(C)C)cc2n1 1675012944 MAYIUOKHBVMOAB-OXQOHEQNSA-N 427.549 4.522 30 10 IJEE CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1 1679280727 BQABQWSTBDDSDX-VQTJNVASSA-N 444.373 4.951 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C2)c1ccc(F)c(F)c1 1681557191 QWQBVNDAYUKLEG-MCNSXXNHSA-N 435.515 4.669 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)NCC3(c4ccc(F)cc4Cl)CC3)CC2)c(F)c1 1685991736 FJHHALFIKOORMD-UHFFFAOYSA-N 445.897 4.774 30 10 IJEE C#C[C@H](NC(=O)N1CCC(COc2ccccc2)CC1)c1ccc(Br)cc1 1686919684 KFTYITVWDUPXNH-NRFANRHFSA-N 427.342 4.624 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1689880969 ATLCLNKVMPMXIZ-MOXGXCLJSA-N 433.383 4.917 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1689889070 YBLNIUVQALMZHL-HBMCJLEFSA-N 443.636 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)c1nccs1 1690212437 LTKQGEAPIJTEHZ-NTKDMRAZSA-N 435.597 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C(C)C)N1CCCC1 1690257307 FBSQJLBPNUMNSY-LJQANCHMSA-N 449.441 4.559 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CSCCS2)CC1 1690384028 AQQPYNZYUXSDGG-IBGZPJMESA-N 432.684 4.884 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690459097 OFGUTYBGAMOTCQ-UHFFFAOYSA-N 439.991 4.781 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690468222 VHJSKLWEEJAFPS-QFIPXVFZSA-N 448.036 4.543 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCN(C)c1ccccc1 1690578442 XWSLMWSPLMVAKT-JOCHJYFZSA-N 437.613 4.910 30 10 IJEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)C1 1693676096 DXYIHBFKPUVXPX-PKOBYXMFSA-N 429.515 4.791 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1705527772 JNBYSEBENKZHFX-IEBWSBKVSA-N 430.980 4.662 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC(C)C)cc1 1705618635 ONKZCFHJFZQIFH-DHIUTWEWSA-N 438.616 4.739 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705622909 ZGPHSWBEGAJUMV-CTNGQTDRSA-N 445.007 4.526 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CCC(C)=C(C)C1 1705690903 KWTWZLIIAMRDGS-UHFFFAOYSA-N 447.377 4.711 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1705791832 FTXPZOPWFSOSHS-OALUTQOASA-N 430.618 4.631 30 10 IJEE C=CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CO)CC1 1705809141 IZAVAHJYAPLMSX-UHFFFAOYSA-N 426.605 4.720 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1705814443 PPIIHOHDXOXSPG-IBGZPJMESA-N 445.405 4.927 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1705847281 MCODURCFYYUIGW-IRXDYDNUSA-N 438.494 4.857 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N1CCCCC1)C1CC1 1705850409 SGUKPCRHTNDPQO-UHFFFAOYSA-N 435.616 4.800 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1c(C)noc1C 1705876729 IPAXFAQQVFKLPJ-UHFFFAOYSA-N 448.354 4.995 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC(F)(F)F)cc2)C1 1705923159 ABCDIXVXSBXHCG-GOSISDBHSA-N 438.494 4.595 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC)[C@@H](C)C1 1705942256 LVBAUKNAFAVCHH-ROUUACIJSA-N 445.702 4.581 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCc1csc(-c2ccccc2)n1 1706077008 FIFJXVFKWWGPTF-SFHVURJKSA-N 434.613 4.973 30 10 IJEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](SC)C2)CCOCC1 1708880543 GXKAJJPIVPYRTD-NRFANRHFSA-N 439.629 4.745 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)C1(C)C 1710587998 BZKJWTMPOTUQRY-WOJBJXKFSA-N 427.618 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCOCC 1722495879 IHSDDFVNNDUJBJ-BEFAXECRSA-N 439.387 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccnc(SC)c1 1722507082 XQOZGLLZYHVXJX-UHFFFAOYSA-N 439.585 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(OC)cc1 1722517391 QBXXVTYPNHXBON-FGZHOGPDSA-N 442.604 4.687 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C)C1 1722530670 YGXLOMVIBORXBD-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2nccs2)C1)c1ccccc1 1722596991 PPYUHIIZNXYMFZ-LEWJYISDSA-N 437.613 4.871 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1722611810 BVICHXIQBCTMGV-LJQANCHMSA-N 429.996 4.697 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CC1CCN(Cc2cccs2)CC1)C1CC1 1722650532 DIWAHHVXTJCYAL-UHFFFAOYSA-N 427.662 4.995 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCc2nccn2C1 1722653750 CZXXMWXJXZRKGH-NRFANRHFSA-N 448.615 4.527 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1722673238 MEBUGUQIZGMWAY-JJTGBXKASA-N 438.616 4.755 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)C1 1722715474 SLEHJCCBUWQGLJ-IBGZPJMESA-N 436.478 4.664 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)CC(C)(C)C1 1726670141 COTHKNYTRYPLJP-OSPHWJPCSA-N 435.597 4.658 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCOC(C)(C)C 1727710321 AYYADQPCCXLXCX-RTWAWAEBSA-N 439.604 4.806 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C)nc1 1740532571 INJPXCVAGDMXCC-RTBURBONSA-N 437.975 4.898 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(C)(C)c2cccs2)c1 1740564207 FCUODUDGOFMRRI-UHFFFAOYSA-N 449.624 4.572 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740577469 FLQYHSPKNZNSNT-DEOSSOPVSA-N 449.643 4.590 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1CC 1740675595 SPMZBMQBKJJIFX-AQNXPRMDSA-N 429.609 4.636 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)c1ccccc1 1740713380 KGWNVWOZQUMVHF-KRWDZBQOSA-N 425.989 4.600 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCSCC1 1740801912 HHJRZRUJERFDJL-HNNXBMFYSA-N 427.401 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740852771 SMBFYABMYXJZAF-MOPGFXCFSA-N 429.584 4.517 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C2CCCC2)CC1 1740879383 HFQWHCRBRNDURQ-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1cccnc1Oc1cccc(F)c1 1740902692 VUXSXWSXADUICX-UHFFFAOYSA-N 435.528 4.927 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCCC2)C1 1741006081 XVSSWVBWKMXMBY-UHFFFAOYSA-N 437.613 4.809 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1741801612 BSYNBZOIVSYXID-DRMAHVMPSA-N 449.477 4.823 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1c1nncn1C 1748702575 LPVNRZBINDXLMV-SFHVURJKSA-N 444.370 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCCC[C@H]1CC 1748867865 NKTIMLPHEKSJQI-RPBOFIJWSA-N 431.628 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)C 1749065932 DQOQSZNDZKBHFU-NBGIEHNGSA-N 443.636 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1749159697 XDBZIGGMIMAILE-IBGZPJMESA-N 441.576 4.580 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(C)ccc1F 1749217784 BHUMGJCAKWHUPI-UHFFFAOYSA-N 429.927 4.670 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCCN(C2CCCC2)CC1 1749221054 XLPIFEIHYGYQDP-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2OCCC2(C)C)CC1 1749294013 KMGTZFYRMZGLOL-GOSISDBHSA-N 449.368 4.818 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1 1749382918 QAWSJNHMURDVQH-DEOSSOPVSA-N 435.616 4.565 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749392824 AFKFSJNKVSSKPN-WBVHZDCISA-N 439.387 4.848 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1C(F)(F)C12CCC2 1749471393 MJTOZYQPYSBQTA-OAHLLOKOSA-N 441.295 4.904 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC1CCCCC1 1749658258 MDFHUOOFAHDJLM-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Cc2cccs2)C1 1749700616 LUFVHMOAGYHFDK-WMZOPIPTSA-N 444.004 4.715 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCC1(F)F 1750060370 GVBYRTRXALLEDU-BRWVUGGUSA-N 435.494 4.979 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCC[C@@H]2C)c2ccccc2n1 1751409591 FAAXONOHAXUXAH-FPOVZHCZSA-N 445.615 4.662 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760285356 CSNVFSMTXAVCFM-RXVVDRJESA-N 426.630 4.855 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOC(C)(C)C 1760352528 ZIUIGOQPRQMFOP-GOSISDBHSA-N 446.661 4.975 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCCOc2ccc(F)cc2)CC1 1760401689 OUYOYTWYQIBOHY-JOCHJYFZSA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(N(C)C)c2)CC1 1760406142 UHWLFBCOCLOOEQ-DHIUTWEWSA-N 437.632 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCS(C)(=O)=O 1760408900 INTGBCSQTNHIQS-UHFFFAOYSA-N 446.661 4.716 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760433198 BICILWRPSVTSGG-ZWKOTPCHSA-N 431.378 4.537 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760443932 QYSWVBLVKZSMHJ-HXUWFJFHSA-N 441.645 4.538 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1ccc(F)cc1 1760454777 SGQYSQVWOYRAFC-CQSZACIVSA-N 432.341 4.611 30 10 IJEE C=CCN(c1nnc(Cc2ccncc2)n1CCc1ccccc1C(F)(F)F)C1CC1 1760474714 FHFRVVMUVFWMRR-UHFFFAOYSA-N 427.474 4.680 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760478799 SAEMPOBCAHCBJW-NHCUHLMSSA-N 434.632 4.760 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1nccs1 1760559260 FJKFECKAWLMERV-UHFFFAOYSA-N 436.610 4.814 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760567412 ZRHWLNFWMKDDCR-GASCZTMLSA-N 442.526 4.794 30 10 IJEE CC(C)Oc1ccc(Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1761295341 DMHKHDDBEAHOGK-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C#N)cc1 1764623170 DCABWICVQKYWGK-UHFFFAOYSA-N 442.523 4.587 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C#N)cc1 1765096217 CLXOTPUXDUDYGJ-JOCHJYFZSA-N 432.572 4.619 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C1 1768165896 HLEIDFJEHRRUBH-DEOSSOPVSA-N 435.597 4.861 30 10 IJEE CN(CCC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(F)(F)C1 1768866680 APPXEXFVFSOREM-IBGZPJMESA-N 429.515 4.505 30 10 IJEE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)n1 1772750851 AKPCRESFLAGRPG-UHFFFAOYSA-N 433.537 4.571 30 10 IJEE N#Cc1cccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)c1 1860134001 XUPOTCWYVKARIM-UHFFFAOYSA-N 439.393 4.847 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(F)cc2)cc1 1862391280 XFIRLSVYRNSCBR-JOCHJYFZSA-N 425.500 4.783 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccc(O)cc2)cc1 1862412051 VCJXKVNAUICHJZ-QHCPKHFHSA-N 449.453 4.800 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(CC)cc1 1862413781 KUTHJWBCXJRNLU-OAQYLSRUSA-N 429.463 4.532 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1c(F)cc(F)cc1F 1862460341 JXKZKJVVTAXONB-IBGZPJMESA-N 446.381 4.533 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 1862497832 UFPLJLRNDYMBSJ-IBGZPJMESA-N 428.872 4.852 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862510154 XVMBTUBMIGBEHO-OYHNWAKOSA-N 441.499 4.918 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1Cl)c1cccc(Br)c1 1862527511 ZMOPJGLDBSLWQL-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc(Cl)c2)cc1 1862535858 LRIDCQQEUFKLAN-NRFANRHFSA-N 427.928 4.643 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCCO)cc1 1862544266 ZKYOMADRKJPAJJ-DEOSSOPVSA-N 433.548 4.615 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1Br 1862566435 VUFPOXKISKYXLT-LJQANCHMSA-N 443.341 4.800 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862659719 CVLAAEUNQGJWPY-QHCPKHFHSA-N 429.520 4.663 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(Cc3ccccc3)n2)c1 1868200883 ICHFYGZLRBMUHM-DEOSSOPVSA-N 448.530 4.656 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCN(c4ccccc4)C(=O)C3)nc(-c3ccccc3)n2)c1 1868354953 SUDGXQRWIYXXFG-UHFFFAOYSA-N 446.514 4.612 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(OCC(C)C)cc2)cc1 1870154270 OLIVNGOQODZPDY-UHFFFAOYSA-N 433.512 4.605 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870245886 JERPCGAPPXIWTO-UHFFFAOYSA-N 427.570 4.538 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN(C)CCCC 1870530302 ZZXHSRXWCGMCNO-NRFANRHFSA-N 435.653 4.734 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2cc(Cl)ccc2C)cc1=O 1871007835 UXLBOCDTEHFDCO-UHFFFAOYSA-N 429.992 4.556 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)ccc3C2=O)c1 1871382008 JRLTWIBEJGWKEX-RQXPBMLRSA-N 442.423 4.628 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4OC)ccc3C2=O)cc1 1871435093 YSRKUAILQVQMJO-QFEZKATASA-N 443.499 4.569 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(OC)c4)ccc3C2=O)cc1 1871441905 PNIVVAVAXJGQAI-CFRMEGHHSA-N 445.471 4.728 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871940530 HMVHCJLHHWEWEH-HNNXBMFYSA-N 441.380 4.814 30 10 IJEE CCCCCCCOc1ccc(-c2csc([C@H](C#N)C(=O)COCCOC)n2)cc1 1872777886 YSDALUAJXMCGFA-HXUWFJFHSA-N 430.570 4.999 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(F)c(F)c3F)n2)c(OC)c1OC 1872787935 BITLOFRALDPAHU-LBPRGKRZSA-N 448.422 4.743 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCCC)CCCC)n2CCCOC 1873558332 BIRKFXDETPTMPN-UHFFFAOYSA-N 441.620 4.689 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CCc2ccccc2C)n1/N=C/c1cccc(C)c1 1874360097 ONSXNEWSFVZXAT-YZSQISJMSA-N 449.624 4.523 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCCO)cc1OC 1874481085 RQBJWUGFJGYXTK-HAVVHWLPSA-N 434.606 4.555 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cccc(OC)c2)cc(Cl)cc1OC 1874572531 RUDWHZOOURULHP-ZHACJKMWSA-N 431.916 4.501 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)c(OC)c1 1875177795 KOIQGFXVFHZPIB-YRNVUSSQSA-N 436.435 4.967 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCCOC(C)C)ncnc2n1Cc1ccccc1 1875218557 ROIBOJWQEBWBBM-UHFFFAOYSA-N 447.583 4.521 30 10 IJEE C[C@@H](C#N)c1cccc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)c1 1891881989 RHTSGVVODSXRFE-SFHVURJKSA-N 448.530 4.734 30 10 IJEE N#Cc1ccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1 1894505364 PAOALKMRFQNQQT-BJKOFHAPSA-N 438.483 4.607 30 10 IJEE C=C([C@@H](NCCC)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922985433 LVHLWTUKLOZISZ-FGZHOGPDSA-N 433.713 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@](NC(=O)OC(C)(C)C)(C(C)C)C(F)(F)F 1939658041 SNBYQGBYAMNACN-WIYYLYMNSA-N 430.511 4.829 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1949113684 ZWDKTKDCBHXRJZ-PMAPCBKXSA-N 431.508 4.859 30 10 IJEE Cc1ccnc(C#N)c1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1959289014 HZIHCGYXOJFVKO-UHFFFAOYSA-N 428.492 4.534 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(CC#N)CC1 1963192243 WCBUGNRBAFZBII-KOSHJBKYSA-N 445.563 4.750 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(c3cc(Br)ccc3C#N)C2)C1 1965650916 PYWQUOLJTORCKY-INIZCTEOSA-N 434.378 4.794 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NC 2041169928 PJMBHBDXAYVBFH-JKSUJKDBSA-N 429.786 4.540 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(F)c2)C2CCC2)c(I)c1/C=N/O 2079088795 JMJLNZVNOGEOHN-GVLJNOETSA-N 441.288 4.695 30 10 IJEE O/N=C/c1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079229150 FHFJHZTWQUKWQI-LKNXVUQUSA-N 434.109 4.679 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(C#N)c(Br)c1F 2106010839 QCBZNYCOWGXMSC-GXTWGEPZSA-N 426.330 4.907 30 10 IJEE C[C@H](Nc1cc(Br)cc(F)c1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2107454223 QXGOQCVZZPDGKZ-LBPRGKRZSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)c1cc(Br)cc(C#N)c1 2118193708 DCUHNSTURLLIHQ-UHFFFAOYSA-N 436.272 4.604 30 10 IJEE N#C[C@H](C(=O)c1cc(I)ccc1F)c1ccc(Br)cc1 2146604663 WOXQLXKUQRRCNP-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)cc2Br)Cc2ccccc21 2174767410 JSSGUUFUOSVRAL-SFHVURJKSA-N 428.330 4.907 30 10 IJEE C[C@H]1CN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H](C)N1Cc1ccccc1 2220075438 FUCZVCFBNXCPTQ-ZCNNSNEGSA-N 440.462 4.531 30 10 IJEE C=CCN(C[C@H](NCCC)c1cc(Br)nn1CCC)C(=O)OC(C)(C)C 2224253088 KTDPXSFAPOBLAI-HNNXBMFYSA-N 429.403 4.519 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](N)C#Cc1ccccc1Br 2235721444 INBJIMHQOXXLSH-WSTZPKSXSA-N 435.406 4.657 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2235728492 RIJCJVOUILMNDI-NLWGTHIKSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)C(=O)C#Cc1ccccc1Br 2235730909 PRMCZTHOVIFRDZ-HNNXBMFYSA-N 448.279 4.852 30 10 IJEE C#CC[C@@H](CC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237432900 PAXLQVDNIIYEKB-LPHOPBHVSA-N 434.374 4.894 30 10 IJEE C#CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243924357 FQFUPYCCNBNNDN-AREMUKBSSA-N 444.575 4.954 30 10 IJEE C=CC[C@]1(COc2nc(C)nc(C)c2Br)CCCN1C(=O)OC(C)(C)C 2272232620 SUCKKVOWFIDDJG-LJQANCHMSA-N 426.355 4.581 30 10 IJEE C=CC[C@@]1(COc2nc(C)c(Br)cc2N)CCCCN1C(=O)OC(C)(C)C 2287698353 FKNZPHFRQKEACS-FQEVSTJZSA-N 440.382 4.849 30 10 IJEE Cc1c(Cl)ccc2c1NC(=O)C2=C1SC(=Nc2ccc(Br)cc2)NC1=O 2295491559 UQIVLPQRXFTEOJ-UHFFFAOYSA-N 448.729 4.625 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@@H](O)C#Cc3cccc(Br)c3)CCC[C@H]21 2296216909 OXYYVLBUNLIPNP-WTGUMLROSA-N 434.374 4.587 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CC1CC1)NC(=O)OC(C)(C)C 2296218292 CLTRMNFAGCNVIH-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2296270808 BGAIMKOCUUBSFS-JXFKEZNVSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C(=O)C#Cc3ccc(Br)cc3)CCC[C@@H]21 2296274338 UCWSSCBNPPLWHH-QYZOEREBSA-N 432.358 4.795 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H](C#Cc2ccc(Br)cc2)NC)C1 2296293475 JZIYXYQXPKLBFG-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE C[C@H]1CCCCN1Cc1c(O)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2296594501 MFTMMLJPJKJNHH-AWEZNQCLSA-N 441.911 4.903 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccc(Cl)cc1 2297745693 XQSPSXWFJGKCJV-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1cccc(OCC)c1OC(=O)N(CC)CC)C2=O 2314527117 FYXFOLSIXALUPB-UHFFFAOYSA-N 425.481 4.941 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317335175 BJPPWGWJZRJZEZ-HHNLSAEISA-N 429.370 4.538 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)cc1OC 2321965254 XADUPNLMENPOGQ-UHFFFAOYSA-N 435.501 4.734 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN(Cc1cccs1)CO2 2321968113 BQSSBSGTJUCMGA-UHFFFAOYSA-N 434.473 4.933 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(CCCN(C)C)CO2 2322034900 CEFLPGUWZRPTGX-UHFFFAOYSA-N 430.907 4.507 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1F 2322703750 VCNNNMATYMQHNA-SFHVURJKSA-N 433.479 4.987 30 10 IJEE Cc1cc(OC(=O)CNC(=O)c2ccccc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2323057609 NNLJJXXXJNZEER-UHFFFAOYSA-N 439.467 4.503 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1OCC 2323569136 ATDVJLCUPKKRRV-UHFFFAOYSA-N 445.943 4.857 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)ccc1OCC(=O)NCc1ccccc1 2323743691 RFNWATXWSOWCJU-UHFFFAOYSA-N 437.442 4.565 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)cc2OC)cc1OC 2324456195 QBMJWOZKKMCZDL-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE Cc1ccc(NC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)c(Br)c1 2325610453 MPCOSCDHCPWCJW-UHFFFAOYSA-N 441.094 4.880 30 10 IJEE COc1ccc(CCOc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2325631844 PEZOTIYTTKGQAN-UHFFFAOYSA-N 430.456 4.970 30 10 IJEE COc1ccc(OC)c(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SC)c1 2325973199 BZVNQEYHJOEMGM-UHFFFAOYSA-N 446.960 4.564 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(OC)cc1 2326532871 GDXGBWCLGGOVRV-UHFFFAOYSA-N 428.945 4.988 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1C(=O)O 2327768097 AZJHXGKSTLEMTM-UHFFFAOYSA-N 428.517 4.881 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2cccnc2)cc1 2329251697 OEFDNALDUBCIJM-UHFFFAOYSA-N 429.549 4.755 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)cc1 2330961400 MIDDZLZUGFFNHJ-FQEVSTJZSA-N 425.533 4.509 30 10 IJEE COCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cn(C)c2ccccc12 2331286686 ZAFIRYOFFWQYFI-UHFFFAOYSA-N 439.972 4.787 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2342476098 WENNMVQBBAHATB-APWZRJJASA-N 444.381 4.581 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@]1(C(=O)Nc1ccc(Br)c(C#N)c1)CC2 2355937071 GPEISBPQYQZYMF-MGPUTAFESA-N 434.334 4.581 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2358672422 XLWUDVASBUURAC-LCLWPZTBSA-N 433.390 4.567 30 10 IJEE COc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)c1ccc(OC)c(OC)c1)C2=O 8823869 YQOLUFWFJPRLGD-FMCGGJTJSA-N 432.428 4.548 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)Nc1cccc(Cl)c1 21077718 ZLTSBZVRTOSTFX-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE C=CCn1c(SC[C@H](O)COc2c(Cl)cccc2Cl)nnc1-c1ccccc1 24095796 VPVSIGMHTCEONA-OAHLLOKOSA-N 436.364 4.970 30 10 IJEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@H]2CCCO2)C4)c2ccccc21 41650884 JNTGTLNXPCSUES-HRGKPLJHSA-N 444.531 4.917 30 10 IJEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccccc1 54641838 MCOKMAJLFCJAEM-FQEVSTJZSA-N 436.512 4.728 30 10 IJEE O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1ncc(C(=O)Nc3ccc(F)cc3)c1N2 64874090 LVYPDJKIPODQFR-OAQYLSRUSA-N 436.874 4.950 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(O)cc2)c(C)c1 169963082 KDFIYNWWVKSIFL-QHCPKHFHSA-N 443.455 4.521 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccnc1)c1ccc(F)cc1 170013239 GPBTWKHWMFLQBF-IBGZPJMESA-N 431.448 4.613 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(O)cc2)cc1 170133230 XGVMCCTUWZUWBJ-UPCLLVRISA-N 441.483 4.807 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)c1 170185644 JWGJSWUOEGRSPQ-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 170237103 DKOPZYJIKSDHGX-FQEVSTJZSA-N 425.868 4.590 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 170238427 BIVUSOOQOOTIMR-NRFANRHFSA-N 439.389 4.895 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccc(O)c1 170262850 IMLUOAMMGLPBJL-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)c1 170282576 BFAMCLSGMARUIM-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170338136 PZJFFLNOBIALPL-JOCHJYFZSA-N 434.442 4.814 30 10 IJEE C[C@]1(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC(=O)N=C2C=CC=CN21 170575323 RRFMCHHWOIZOPB-HHHXNRCGSA-N 448.482 4.897 30 10 IJEE C=CCN(C(=O)CN[C@@H]1CCOC[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 433174322 MZHDRYCFRHHKJF-CXAGYDPISA-N 440.396 4.651 30 10 IJEE N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1nc(O)c2c3c(sc2n1)CCCC3 435795992 USQSUZAAYALWFS-ZDUSSCGKSA-N 433.320 4.828 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]2CCC[C@@H]21 460949808 CTHSYVHYIZMPQR-RXVVDRJESA-N 432.572 4.581 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC(C)(C)O[C@]2(CCOC2)C1)c1ccc(C(F)(F)F)cc1 474551395 BZTZMHRTPJKRTL-WIYYLYMNSA-N 426.479 4.692 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 475588567 XZXANSNIQDDNEN-JOCHJYFZSA-N 435.568 4.769 30 10 IJEE CN1CCC[C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1cccs1 478395438 SPQTXKDDKCSPMT-YLJYHZDGSA-N 435.515 4.501 30 10 IJEE C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1c(C)c(C)c(C)c(C)c1C 480000081 ZUOFLFHLBGOOQA-UHFFFAOYSA-N 439.581 4.656 30 10 IJEE N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 480118646 LPYRTUYMDSWGJZ-INIZCTEOSA-N 448.958 4.996 30 10 IJEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc3c4c(ccc3s2)CCCC4)cc1 505159219 OSQQABBHPSYJAS-UHFFFAOYSA-N 439.562 4.505 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490290 VODRDRNXCWZJPP-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])s2)cc1 526516226 OREJZISIRWVUJY-OAQYLSRUSA-N 447.472 4.984 30 10 IJEE C=CCCN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cc(C)ccc1OC 586136917 SSAHXTRGSONTPA-UHFFFAOYSA-N 447.597 4.611 30 10 IJEE CCCN[C@H](CC#CCOC)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 699008630 VHXYCZAXANFBKL-QGZVFWFLSA-N 425.367 4.877 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)C2CCN(CC2)C12CC2 716097399 YEJYOKGMFZRSLM-NRFANRHFSA-N 432.362 4.711 30 10 IJEE CC(=O)N(c1nc(COC(=O)[C@H](C)Oc2ccccc2C#N)cs1)c1cccc(C)c1C 728322871 PPJGUKMDWAOWFT-KRWDZBQOSA-N 449.532 4.827 30 10 IJEE C=CCNC(=S)/C(=C(/O)c1cc(OC)c(OC)cc1Cl)[n+]1ccc(CCC)cc1 731493983 KLQCQUUGICWWRC-UHFFFAOYSA-O 433.981 4.584 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)c2)s1 740037044 ARBDLNNJXZPFTE-SFHVURJKSA-N 434.540 4.752 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1 750730968 UFTOECRAORPGSI-ZCYQVOJMSA-N 433.515 4.893 30 10 IJEE Cc1cc(S[C@@H](C)C(=O)OCc2ncc(C3CC3)o2)n2c(nc3ccccc32)c1C#N 760474719 BLWHELZZXQIFTK-AWEZNQCLSA-N 432.505 4.757 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CC[C@H](C(=O)OC)c3ccccc32)c1=S 766363710 HAIYITOWAWWDPY-KRWDZBQOSA-N 438.528 4.531 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2ccc(N3CCOC3=O)cc2)c1 783065587 FFECFUPZQZVOPT-UHFFFAOYSA-N 447.878 4.891 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)CCCN1C(=O)OC(C)(C)C 790582785 MDQUPTVSVRZJGA-JOCHJYFZSA-N 433.574 4.745 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1128426000 QAUSJBLLDJSJPT-QXATTWAWSA-N 437.367 4.759 30 10 IJEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 1167391007 FMBBQWYPOAQKTK-JOCHJYFZSA-N 439.559 4.645 30 10 IJEE CCCOc1c(Br)cc(Br)cc1CNc1n[nH]c(C)c1C#N 1178895250 AQCOJDDEQZLQDT-UHFFFAOYSA-N 428.128 4.516 30 10 IJEE C#CCN(Cc1cn(C)nc1C1CCCC1)[C@@H]1CCOc2ccc(Br)cc21 1180292145 IETFHDNHCFVFFO-HXUWFJFHSA-N 428.374 4.799 30 10 IJEE Cc1cc(N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)n2c(nc3ccccc32)c1C#N 1186247886 HAGWDCHBZPELMO-SFHVURJKSA-N 433.556 4.799 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 1198322982 XTLPEJFPFNVKTP-UHFFFAOYSA-N 432.476 4.881 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(Br)c(Cl)cc1C 1208854417 CVIYBPGCQFZPNR-UHFFFAOYSA-N 428.779 4.830 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c(Cl)c1 1220233153 HFNDJLIHTYQSOG-HXUWFJFHSA-N 431.964 4.965 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)c1ccc(Br)cc1 1230499271 TVPOITHTKIGCKQ-NHCUHLMSSA-N 445.332 4.653 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1252970652 KONSYAHCIJAEBU-YPAWHYETSA-N 449.636 4.569 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(COCCOCC)c2)CCCN1C(=O)OC(C)(C)C 1264653920 RQJCMJINTZRQBT-XMMPIXPASA-N 432.561 4.524 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286382635 UGKXVAWPACOLNK-SJORKVTESA-N 436.478 4.619 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCSCC(F)(F)F 1286382728 ZFIFSRZRGAAHOF-UHFFFAOYSA-N 434.940 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CC=CCC1 1286419705 DARBNIPTSGFVLT-VXKWHMMOSA-N 432.568 4.636 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)Cc1cccs1 1286436796 WFTMNLJEVVBAEW-INIZCTEOSA-N 430.524 4.946 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCN(C(C)C)C1 1286450698 GCJGXAQQVGYAQF-PKTZIBPZSA-N 437.632 4.615 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccnc(OC(F)F)c1 1286581006 JIPIXWKPEMEECF-UHFFFAOYSA-N 449.452 4.594 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1286598889 GJPGMQVYQTYMOJ-BHIFYINESA-N 426.605 4.641 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286670816 KYQCSNYWSQEMRU-FQEVSTJZSA-N 426.561 4.530 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1286686832 CWVHDVSDGFKIQV-UHFFFAOYSA-N 441.595 4.761 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1286702365 PRBNTSDNCWEWOF-GOSISDBHSA-N 444.004 4.911 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(OC(C)C)nc1 1286717485 YWUSWDHGTSXFKL-UHFFFAOYSA-N 428.540 4.654 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1ccccc1F 1286827429 NOCRYVUZLOZMJG-UHFFFAOYSA-N 431.968 4.731 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286827709 XRYGCYDGSKYATR-TZMCWYRMSA-N 431.915 4.547 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccc(Cl)cc1 1300287123 UOEDPGFWKNAPMS-GJZGRUSLSA-N 430.339 4.572 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1300387016 XYQBKVTXJOOTAY-IBGZPJMESA-N 443.979 4.505 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(F)cc1F 1300515816 BDCJPUQCTBJMEM-UHFFFAOYSA-N 436.531 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCOC1 1300924638 GFUFVLOMIFSRPY-HXUWFJFHSA-N 426.605 4.984 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN(C)CCC)C1 1301017156 HBCRDCOUFCZRAC-LEWJYISDSA-N 446.039 4.956 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)N2CCCCC2)CC1 1301096133 YPPHTJJXWWZTKS-UHFFFAOYSA-N 437.632 4.840 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1301106974 ZEUDFRHRSIOZSX-ZVOVDXHFSA-N 438.616 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOC(C)(C)C1 1301142108 WDVCSVIJOISWID-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C=C)CC1)c1ccccc1 1301168089 LSDOCTKOOYYSFK-XMMPIXPASA-N 430.600 4.902 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(C)C)CC1 1301187001 MYQHLVGMWUGKCE-UHFFFAOYSA-N 437.636 4.681 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1301218830 VTRKJLPETFYNBO-YADHBBJMSA-N 434.588 4.737 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC)CC1CC1 1301220531 BYSRZILGULEWGP-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCn1cc(Cl)cn1 1301355546 YUAACMPDEVTMSD-UHFFFAOYSA-N 430.959 4.749 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1301438357 OUYYRDOYXKLNHK-GOSISDBHSA-N 436.629 4.768 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nccs2)C1 1301541685 BQCDLMFXWHPVGY-AWEZNQCLSA-N 436.368 4.538 30 10 IJEE C=CCCONC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1301633223 QHYRPBPKUWNJNQ-WUKNDPDISA-N 430.504 4.976 30 10 IJEE C[C@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1cccc(C#N)c1 1303622187 HKGLPTBWEWQSRI-KKSFZXQISA-N 433.508 4.618 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@H]1CCCCO1 1306292548 BDGBPIOMTGCDTI-KSEOMHKRSA-N 437.588 4.703 30 10 IJEE Cc1cc(NC[C@@H](CO)Cc2ccccc2Br)n2c(nc3ccccc32)c1C#N 1307095034 CXKGDKKDZDXJHM-INIZCTEOSA-N 449.352 4.693 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@@H](C)C3)C(=O)OC 1307268169 UDVMFFOMTABZNR-ZBFHGGJFSA-N 434.627 4.839 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)OC[C@@H]2c2ccccc2)n(-c2ccc(F)cc2)c1C 1307495854 HBIVIFFTFAVAGZ-MZNJEOGPSA-N 446.526 4.505 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccnc1Oc1ccc(OCCC)cc1)c1ccc(F)cc1 1311453105 XILMXYMMZHQJND-HSZRJFAPSA-N 433.483 4.976 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1311796735 DFXUGMFCXQJUBA-HXUWFJFHSA-N 427.932 4.538 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1312314175 LOUCBZNWNSYURZ-GFCCVEGCSA-N 442.343 4.697 30 10 IJEE CCOCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@](C)(C#N)C1 1314289590 HSYRWYACKSLPHN-RUZDIDTESA-N 439.604 4.612 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(I)c2)cc1OC 1349515155 OUWWQYXLKOSMOH-NTMALXAHSA-N 435.261 4.517 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1355927474 HJHGGUAISGMIDI-FQEVSTJZSA-N 433.335 4.730 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1357490814 LMWABKOUPUWTFG-OAQYLSRUSA-N 442.478 4.590 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(F)(F)F)cs1 1358987195 WAFOUSIMOXGXNF-UHFFFAOYSA-N 449.889 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN(CC(C)C)C1 1359114267 FMVQADGZHRTXJU-FQEVSTJZSA-N 445.602 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(c2ccccn2)CCC1 1359115945 RZMOYEGYOIVNKM-UHFFFAOYSA-N 442.567 4.648 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1359119030 QOGDEWHFDUCOCV-IBGZPJMESA-N 443.345 4.763 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1359136098 ZAJDCTJHEYXCRU-LADGPHEKSA-N 443.680 4.694 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359212053 YNFYPMRBLBJHAL-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCN(CC)C1)C1CC1 1359248648 WROQHXYHXIUVAE-KRWDZBQOSA-N 444.421 4.513 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C(F)(F)F)C1 1359323102 IHFVBBLIYBTOMC-KRWDZBQOSA-N 442.913 4.892 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCCC[C@@H](SC)C1 1359345735 OPQNXHCPRXTLPE-HXUWFJFHSA-N 432.659 4.807 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(C(=O)OC(C)(C)C)nc2)cc1 1434975656 GOPWRHNLQNWEAP-UHFFFAOYSA-N 445.475 4.962 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2csc(I)c2)cc1 1435977203 QWCVXKRGECOMRX-UHFFFAOYSA-N 441.290 4.614 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)cc2n1 1439619014 YXYGPVAKENVRSX-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(I)cc3Cl)cc21 1439757192 MDKLERJXCZZMBN-UHFFFAOYSA-N 437.668 4.733 30 10 IJEE C#CCN(CC(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1)C(=O)OC(C)(C)C 1443628081 ZXVFLBFBSGQITD-UHFFFAOYSA-N 439.512 4.911 30 10 IJEE C/C(=C/C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)CN1CCOCC1 1444934239 KKTSPRJJHOJAHP-VBKFSLOCSA-N 445.441 4.586 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SCc2cccnc2)cc1 1463837060 PLXAOIBSEJHTJQ-FQEVSTJZSA-N 425.554 4.619 30 10 IJEE CN(C)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1Cl 1465429920 ARZSRAINJAWGEZ-OAQYLSRUSA-N 435.915 4.823 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c1 1465535187 AKCTWJKHDCTZLY-FQEVSTJZSA-N 439.531 4.731 30 10 IJEE COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cc(F)c(C#N)c(F)c3)C2)n1 1467710652 CAZMYGXVVRBOLX-CQSZACIVSA-N 439.487 4.988 30 10 IJEE C=CCOc1ccc(CN(CC(=O)NCCc2nc3ccccc3s2)C(C)(C)C)cc1 1473265257 RJKQQGORXAOKNN-UHFFFAOYSA-N 437.609 4.821 30 10 IJEE C=CCOc1ccc(CNC(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)cc1 1478085131 JSQRFHOXYBUBCB-UHFFFAOYSA-N 432.520 4.857 30 10 IJEE C#C[C@@H](NC(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1478656582 ODTHZYHJZICODZ-QFBILLFUSA-N 437.943 4.632 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)CCS1 1494235358 FZVZTGHXBHISHJ-WMZOPIPTSA-N 431.556 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1507543845 RVXGZLYURQYESG-APWZRJJASA-N 449.624 4.561 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(N(C)C)CCCCC1 1507680409 GGXDAPORAIFDDJ-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCCCCO 1507771242 APQORCFPVCJHMS-JOCHJYFZSA-N 433.021 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1507802878 DEUDSKPYARTZBG-QTEQDKRBSA-N 444.620 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](C)C1 1507818825 YNBJPJQZRQVWPL-RBUKOAKNSA-N 434.588 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(C)CCOCC1 1507820310 ZYGBLJRFEANBEX-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(F)F)C1 1507825528 YDJAUFCIYGIUNW-LBPRGKRZSA-N 429.284 4.904 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCC(CC(=O)N2CCCC2)CC1)c1ccccc1 1507853138 AMCNEOCTVOOYBD-FQEVSTJZSA-N 435.616 4.734 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CCC)C1 1507870304 GVCJTIOXUXGCHE-HXUWFJFHSA-N 432.996 4.912 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC(CC)(CC)OC)CC1 1507892235 MZMSFFBEIUUZNJ-UHFFFAOYSA-N 430.618 4.941 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1507925051 XYKHVKKBKJSCTD-GMAHTHKFSA-N 448.615 4.822 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](C)[C@H]1C 1507962365 RDTLJVVWRUWEJI-MSOLQXFVSA-N 439.585 4.523 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN(C)C(=O)OC(C)(C)C 1507968023 NNPWWWSKMGRIQB-IBGZPJMESA-N 443.592 4.524 30 10 IJEE C=CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@@H](OC)C(F)(F)F)C1CC1 1507987521 FKDYXTJBBJRKFF-HXUWFJFHSA-N 445.489 4.924 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1coc(-c2cccs2)n1 1507998097 BYAIFMBBPMMARK-UHFFFAOYSA-N 430.537 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1508009369 ZZJXXJPCUKFOEZ-QKNQBKEWSA-N 444.645 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N1CCC(C)CC1 1508011560 HKVYMKDOLDRTCX-LJQANCHMSA-N 444.023 4.906 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1F 1508037063 IXEMMLBTNYXLES-KRWDZBQOSA-N 440.588 4.958 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(Cl)s1 1508068396 YQHTUGNVGOXOBG-HNNXBMFYSA-N 437.997 4.887 30 10 IJEE C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1Br 1512242680 CRYCJRTXTNHNLV-ZDUSSCGKSA-N 428.359 4.678 30 10 IJEE C#CCCCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1522228196 NSCMOFJEISSFPI-IFMALSPDSA-N 430.564 4.866 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1523244623 HSAPGZQYUVLDIR-UNMCSNQZSA-N 445.600 4.906 30 10 IJEE N#Cc1ccc(NC(=O)c2cc3c(Br)cccc3cn2)cc1Br 1525724647 AWIBEVDOSLCXEI-UHFFFAOYSA-N 431.087 4.884 30 10 IJEE C=CCN(C(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)[C@H](Cc1ccccc1)C(=O)OCC 1529014104 AZMDPQQCPCFZPX-AUSIDOKSSA-N 448.567 4.513 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1)c1nc(-c2ccccc2)cs1 1530619889 VCDPBHFOEBZZEO-GOSISDBHSA-N 435.524 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 1530672248 ADQIWIFLESVPET-YWZLYKJASA-N 445.441 4.928 30 10 IJEE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1532004950 AMFNFTJFNPKADE-IYBDPMFKSA-N 425.916 4.632 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccnc(C)c2)nnc1-c1ccc(Cl)cc1Cl 1533690095 CGZAJXDMWVDZES-UHFFFAOYSA-N 448.379 4.550 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Br)cc2CC)CCCN1C(=O)OC(C)(C)C 1534485776 RWLUNAWZGGKBEG-NRFANRHFSA-N 435.362 4.743 30 10 IJEE C#C[C@@H](NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21)c1ccc(F)cc1 1535458977 GCTYEHHXAPLAQH-QGZVFWFLSA-N 432.421 4.512 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccccc1 1537447746 KNKHJOJMJSZYJO-GMYLUUGSSA-N 437.348 4.586 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCC(F)(F)C1 1539154224 NCQUFGBHFNICIU-HNNXBMFYSA-N 437.332 4.993 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1539656288 VAXHZOZNJFQOIW-OYRHEFFESA-N 425.621 4.724 30 10 IJEE C=C(Cl)Cn1c(N(Cc2cccc(F)c2)C(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1539819453 FJKNWRXASMRHNE-JOCHJYFZSA-N 436.959 4.625 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[C@H]2C[C@H](F)C2)CC1 1539848401 UBNDSKFFGRQBKY-VAMGGRTRSA-N 447.599 4.687 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539971536 JTWZZBBXBWJWAR-NRFANRHFSA-N 439.604 4.523 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1539991131 FUCIJIRJZGPPDV-SFHVURJKSA-N 429.977 4.908 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1c(C)noc1C 1540125897 BZJPCQJRYOKSMC-PGRDOPGGSA-N 435.572 4.773 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cccc(Br)c3C2)cc1OC 1544450037 YVLDEPOIPSTMNI-NTMALXAHSA-N 428.326 4.621 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1546145071 ASWMUYBATADWFE-HNNXBMFYSA-N 441.984 4.862 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nccn1CC 1556987061 SWJHRMRIMHUALV-HSZRJFAPSA-N 444.535 4.715 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCc3c(Cl)ccc(Br)c3C2)cc1Cl 1560187380 HQHJHUDMMSKDPL-UHFFFAOYSA-N 439.140 4.624 30 10 IJEE C#CCN(C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C)[C@H]1CCCc2ccccc21 1562331809 AXGOVIXHPRJVAK-QHCPKHFHSA-N 439.581 4.691 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 1562640228 GZIBOJJBUUWEKQ-RUZDIDTESA-N 431.580 4.853 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2n1 1563300447 MFPUGNHCFZNDPW-UHFFFAOYSA-N 429.446 4.595 30 10 IJEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@H]1CCCc2ccccc21 1564667528 AUTKFFSQUDSQSJ-GOTSBHOMSA-N 439.600 4.792 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(F)cc1 1583539031 KKGUEUDKPJOZPI-HXUWFJFHSA-N 448.475 4.791 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1 1584761340 IETOGVCWFXJFDY-WVBUVRCRSA-N 444.984 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(C)CCCS1 1587563252 ZIJCXRKKWBPGJC-YZZKKUAISA-N 428.602 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCCc1nc(C)cs1 1588193696 JBFPRKAXJGCOTG-UHFFFAOYSA-N 443.576 4.942 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)c1nc(C)cs1 1589687756 NLMPNRPPNXUVAV-MRXNPFEDSA-N 429.565 4.967 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCc2c[nH]nc2C)CC1 1594127969 LNEIGHHNMLOEPV-UHFFFAOYSA-N 448.615 4.975 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1594408223 GBMDOUSZQKHCKJ-DEOSSOPVSA-N 429.008 4.974 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)c1ccccc1 1594552146 IBCIPVCNHVUXGB-ZEQRLZLVSA-N 448.615 4.829 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)(C)C)C1 1594720187 FMKFDMKCNUSCCR-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CCC 1595148873 ANOOQBXBLDNEOM-OAQYLSRUSA-N 436.629 4.859 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1C1CC1 1595234240 LXYKWESXPQIOMH-UHFFFAOYSA-N 426.362 4.616 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCO[C@H](C)C1 1595845676 YSFFFIPETIKJDJ-IAGOWNOFSA-N 437.009 4.606 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1 1595889925 CUAIFKMVGXUMAW-UHFFFAOYSA-N 426.483 4.626 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)C1CCCC1 1596798114 DLIOVCPHQDZVAN-HNNXBMFYSA-N 435.403 4.722 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)n[nH]2)c1 1611701800 DFPBHFPFGYIRLM-UHFFFAOYSA-N 449.396 4.753 30 10 IJEE C=C(C)CCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1618167998 CVXXFQLFAPPLHG-UHFFFAOYSA-N 437.359 4.853 30 10 IJEE C=CCN(Cc1cn(-c2ccccc2Cl)nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1621253723 HHDIUVGVELGYNP-XMMPIXPASA-N 437.971 4.997 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 1625124615 CJNOPDQBOUJOJR-INIZCTEOSA-N 427.526 4.728 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccc(N3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1625618447 LAMFIKSIWAZOLG-AREMUKBSSA-N 441.616 4.681 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)c1ccccc1 1627430090 LUZRMGABZSEAAP-JGCGQSQUSA-N 444.560 4.950 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccs1)Cc1ccccc1OC 1629689929 STQJDJFTXKZYNP-HXUWFJFHSA-N 442.581 4.592 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CCCN1C(=O)OC(C)(C)C 1631080554 QZRUQTKFVMUIDV-TYBLODHISA-N 446.563 4.586 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1)c1ccc(Cl)cc1 1633645183 KCNTXNDSZYEVDN-FASAQXTFSA-N 435.749 4.852 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1COc2c(C)cccc2C1 1635883929 IXKRBAIEWUJCPZ-SFHVURJKSA-N 433.321 4.598 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1638142928 ZFQLZAYCIZHPDU-UHFFFAOYSA-N 442.478 4.742 30 10 IJEE Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(S(C)(=O)=O)o3)n2)o1 1640930382 BCOONRIEULXJMR-UHFFFAOYSA-N 442.440 4.829 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])cc2Br)nnc1-c1ccc(OC)cc1 1642012465 ICGINKHYZKSYFB-UHFFFAOYSA-N 447.314 4.962 30 10 IJEE C=CC1(CC(=O)NCc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 1644858000 LJTLVNMATXTFGP-UHFFFAOYSA-N 443.769 4.532 30 10 IJEE C=C(C)COc1cc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)ccc1OC 1651561430 RSXQRLRVLVEJLD-SFHVURJKSA-N 440.531 4.632 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C)=C(C)C2)c1 1654530696 FSZCFXVFCDSAET-UHFFFAOYSA-N 444.984 4.904 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](c1ccc(Cl)cc1)n1cccn1 1657364968 RNBABNHLPXCMDN-FQEVSTJZSA-N 444.760 4.690 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CCOCC1 1659121942 HBOGSDUQMRXEKO-HSZRJFAPSA-N 433.552 4.911 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CCCCC1 1667576620 XGYXXEBPEQEBLA-QLYXXIJNSA-N 446.617 4.680 30 10 IJEE C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1670159061 BGYQEJHGMDSSCY-GOSISDBHSA-N 446.530 4.579 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1671851129 BLEVPEVRVBNDLJ-SYNHAJSKSA-N 437.531 4.917 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(F)(F)c1ccc(Br)cc1 1674621012 RAIWFWZRSYPBBV-UHFFFAOYSA-N 439.300 4.947 30 10 IJEE C=C(C)[C@H](NC(=O)NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(F)c(F)c1 1675580838 LNEVLUARYQHRAV-SFHVURJKSA-N 428.405 4.797 30 10 IJEE CCCc1c(NC(=O)N2CCN(c3cc(C)ccc3C)CC2)cnn1-c1cccc(C#N)c1 1676503197 FNZVORKWKVLQHK-UHFFFAOYSA-N 442.567 4.667 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CCC2)cc1 1678113908 AMXKEKUPWJCWSP-UHFFFAOYSA-N 448.586 4.948 30 10 IJEE Cc1ccc(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(OC(C)(C)C)c1 1680467526 DYDRGXCZYPQDRL-UHFFFAOYSA-N 436.556 4.628 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(Cl)cc1F 1680667030 IZHLXHOYQCFSFG-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE C#CCOc1ccc(CNC(=O)N(CCc2ccc(OC)cc2)Cc2ccccc2)cc1 1682559764 FHPDVDBNCHJGJO-UHFFFAOYSA-N 428.532 4.662 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H]2CC3(CCC3)Oc3ccc(Br)cc32)c1 1683339059 KSSPYHAHVRIHPC-IBGZPJMESA-N 425.326 4.676 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1684704496 NQARTRYHZFHCGS-ZNZDAUKMSA-N 435.749 4.852 30 10 IJEE CC(C)[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(C)(C)C)cc1 1686239389 HFHURGSYQANTAH-DNQXCXABSA-N 446.595 4.653 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[C@@H](OCC)C1CCCC1 1689861026 MSLUGYKABVODBX-GBXCKJPGSA-N 433.600 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1Cc1nc(C(C)(C)C)cs1 1689861046 NAXKYBCVEIEZMZ-KRWDZBQOSA-N 432.597 4.541 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)c(F)c1 1690063848 QXLZMXIYGGTFSW-MRXNPFEDSA-N 438.572 4.787 30 10 IJEE C=C(Br)Cn1c(C2CC2)nnc1N(C)CCc1ccc(Br)cc1 1690226584 DTHAQLRGZFJDRL-UHFFFAOYSA-N 440.183 4.506 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1690227600 CNCRZQVDSSTEIB-SJLPKXTDSA-N 435.341 4.561 30 10 IJEE C=C(Br)Cn1c(N2C[C@@H](C)O[C@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1690233680 OHZHBJFKRIHWAX-IEBWSBKVSA-N 445.405 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1690248927 QVPSQKXZLVJWOG-HFMPRLQTSA-N 426.580 4.862 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1690328191 HBOHHQLXQBKAEP-SJORKVTESA-N 434.968 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(=O)NC)CC1 1690422045 BLCGZYRLYISCKT-UHFFFAOYSA-N 429.996 4.553 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1690460722 MNABWOTVVFIGHI-UHFFFAOYSA-N 434.588 4.524 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOCC2(CCC2)C1 1690476591 IHIXMXGAZKWHFR-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)c1cccs1)C1CC1 1690539888 PRASPKUGNBKSPM-QFIPXVFZSA-N 444.988 4.731 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC1C[C@H](C)O[C@@H](C)C1 1690556106 MXENURRSQHIGRB-PMACEKPBSA-N 449.599 4.688 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1C1CC1 1690558616 WMPANPPUORIOGG-QHCPKHFHSA-N 432.616 4.657 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1690567335 ABBLEAUIENVLMV-VWLOTQADSA-N 439.673 4.641 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CC2(C)CCOCC2)c1 1693015486 CBRLOSLBDFVCBJ-HXUWFJFHSA-N 439.604 4.702 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H]2CCCCO2)cc1 1693166249 IFKSGCXZGNDJFT-GBXCKJPGSA-N 439.629 4.968 30 10 IJEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCC2)CC1 1694904112 HRQNVTNZTUEPOU-UHFFFAOYSA-N 425.602 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCSCC(C)C 1705482644 DOGPMRXOVXFRLE-ZDUSSCGKSA-N 427.437 4.616 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705513753 XXGPIIRVNZVDTN-OAQYLSRUSA-N 447.627 4.532 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1705518550 NNMILOGDRCPPQL-DEOSSOPVSA-N 429.568 4.808 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1705694920 UMRDSYKEINFVCT-ZRNYENFQSA-N 442.608 4.663 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN(CC(C)C)C1 1705712471 UTJPGDFKQNRSHJ-LJQANCHMSA-N 431.028 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705716256 FFDJJMNFTPQSLR-WOJBJXKFSA-N 445.602 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCc1csc(C(C)C)n1 1705718620 SMWCLCVVXBZNPV-UHFFFAOYSA-N 430.647 4.859 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1705736177 NAEISHGEQQHUDR-OAQYLSRUSA-N 425.602 4.597 30 10 IJEE C=C(Cn1c(N2CCC(C(=O)NCCCCC)CC2)nnc1C(C)(C)C)c1ccccc1 1705743868 KSBNOXIULNEUST-UHFFFAOYSA-N 437.632 4.812 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](CC(C)C)N(C)C)CC1 1705763201 QMBLEWJPQUIKAG-WOJBJXKFSA-N 429.584 4.690 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2nccs2)CC1 1705763505 WXFCOVNKKAPGIM-QGZVFWFLSA-N 427.549 4.803 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCN1CCOCC1 1705811443 DZXAJPKPTFVDEY-UHFFFAOYSA-N 446.020 4.548 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1705822683 NMSBOMYHNCIXNC-JOCHJYFZSA-N 437.632 4.795 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)cc1F 1705836875 JDHBRJCMZSUNAG-OAHLLOKOSA-N 426.561 4.950 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CCc1cccs1 1705856732 COBXOIADSNEZCN-HXUWFJFHSA-N 438.597 4.678 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CSCCS1 1705863075 HHTFVJGUMROLAX-FQEVSTJZSA-N 442.679 4.972 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1csc([C@H](C)OC)n1 1705872344 UFAXVZJFCXFYJD-KRWDZBQOSA-N 448.596 4.827 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1c(F)cccc1N1CCCC1 1705873621 PPCHBZQANIGVOX-UHFFFAOYSA-N 432.547 4.615 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1ccccc1 1705890232 FVKPHAIHPWQCOE-GOSISDBHSA-N 425.577 4.776 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)c2ccc(C)cc2)C1 1705921763 YTEAAOQQIAPRLN-RXVVDRJESA-N 437.975 4.887 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1722481997 DFRZSYWQDFKJKQ-FUHWJXTLSA-N 435.341 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCOCC 1722493266 IRNNDOREWHRBRD-UNMCSNQZSA-N 426.605 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(N(C)C)CCCC1 1722503695 CDTNJWMXRRCAPU-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1722529832 DWSXRLZMJZRVLE-DENIHFKCSA-N 438.597 4.874 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2c(ccnc2N(C)C)C1 1722547041 IHCPTLXOSOJFMZ-UHFFFAOYSA-N 447.345 4.514 30 10 IJEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccccc1C 1722553724 GGEPAAMSWXJVJH-GOSISDBHSA-N 441.988 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](CN2CCCCC2)C1 1722586874 DDVFCQVXWCPHAT-NRFANRHFSA-N 437.632 4.868 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1csc(CC)n1)C1CC1 1722647238 RQOFHFXNJIVHQL-UHFFFAOYSA-N 444.402 4.930 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1722688157 OTUTYGDEGSCSKS-GOTSBHOMSA-N 437.632 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@H]1C(C)C 1740663386 IDIWWGUNRCTMCC-RDGATRHJSA-N 445.611 4.873 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1740741219 HGRMJMHPXGVHIN-AEFFLSMTSA-N 426.362 4.575 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1C 1740741494 WJHCFJXQGVFHTR-UHFFFAOYSA-N 432.753 4.847 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1740808916 CIDIMCPEOWXEGP-OAQYLSRUSA-N 436.991 4.502 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC2CCCCCC2)CC1 1740827716 IBYBTNHCKFNEEF-UHFFFAOYSA-N 435.572 4.625 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1740892381 VLCKAXFSSDJIAK-NQIIRXRSSA-N 439.535 4.610 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C1CCCCC1)N(C)C 1740919188 XSHOOBZXWBPJRL-VWLOTQADSA-N 446.643 4.987 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1741002285 KRHLWVVPGQZECB-LEWJYISDSA-N 444.620 4.570 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1748699701 QXTYDUGPKSAUIE-YLJYHZDGSA-N 430.980 4.736 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1748745090 FGBMEWNIYFYAPR-FQEVSTJZSA-N 442.350 4.638 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCSC(F)(F)F 1749148835 HYKKPXQSJFUVOQ-UHFFFAOYSA-N 430.496 4.618 30 10 IJEE C=C(C)Cn1c(N(C)Cc2cc(C)cs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749208056 ZDRNVQUCCSSKSR-CALCHBBNSA-N 431.606 4.631 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC[C@H](C)C2)CC1 1749303675 NDTQWPPZAFVOSX-PMACEKPBSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1749368420 IFBPYLWXIIFFRA-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE COCC1(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)CC#N)CCCCC1 1749406109 DLUUSEPQHCLCER-KRWDZBQOSA-N 447.530 4.882 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(C)C)C1 1749417485 IVCQCKCLLGWDPB-AWEZNQCLSA-N 425.396 4.597 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)nc1 1749547811 XCECROJIQPEKNO-UHFFFAOYSA-N 448.933 4.692 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1749746568 HTYXEKWKQWHQHY-ROUUACIJSA-N 448.036 4.697 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)CC(C)(C)O1 1752317606 AFLBGCKUUKNIOP-KRWDZBQOSA-N 435.597 4.860 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1csc(CC)n1 1760149896 IBJKUUJMTKVHDX-UHFFFAOYSA-N 444.402 4.776 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1760161643 MJGUINQNFZWZSV-XKCSPQBFSA-N 438.616 4.686 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)Cc1cccs1 1760223897 PYOOBCBMNKYFKW-QFIPXVFZSA-N 446.620 4.877 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1760229193 IAONUMFMHMUNCV-UHFFFAOYSA-N 431.471 4.681 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1760277088 ZVAMOAMLFLDSJH-HXUWFJFHSA-N 434.396 4.748 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1c(C)coc1C 1760292131 QLHROKBJANDABE-AREMUKBSSA-N 448.567 4.993 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1760361958 XDJPSLSYPCRJFB-PMACEKPBSA-N 428.552 4.605 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760386041 IINDYBOKFKFHFL-KKSFZXQISA-N 433.394 4.661 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(C)C)C1)c1ccccc1 1760420675 TZHDJIDTUKPMLE-KIHHCIJBSA-N 438.616 4.844 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC1C[C@H](C)O[C@@H](C)C1 1760482310 GAHJLOSVDKRGGS-SFTDATJTSA-N 431.584 4.660 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@@H]1CCCC[C@H]1C 1760497510 IOGOWFGSVZJSOB-GXRSIYKFSA-N 430.637 4.970 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760506457 TVCIYGGBHBFRDL-OAHLLOKOSA-N 444.004 4.884 30 10 IJEE CC(C)COc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)c1 1761139238 FCNMYEWGGSYCMD-WIOPSUGQSA-N 437.588 4.733 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OCC2CC2)nc1 1761357565 FPRNLTZKZIWJHB-INIZCTEOSA-N 436.947 4.569 30 10 IJEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C1 1763444598 ARLOXPZUTRWIDN-QGZVFWFLSA-N 429.515 4.791 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1csc([C@@H](C)OC)n1 1763872672 HVRCRYSIKXTDKJ-IAGOWNOFSA-N 438.601 4.901 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)CC1)c1ccco1 1764921178 BIGJRGGPVKNSST-JOCHJYFZSA-N 432.572 4.729 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C(C)C)C1)C(C)C 1765782084 IFZOSTPVMAGTDN-YADHBBJMSA-N 441.645 4.846 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)c1C 1860304959 HCGYITUFTYRLHU-VWLOTQADSA-N 427.552 4.791 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1C 1860322478 PRUXYBMRCZACMF-RUZDIDTESA-N 441.579 4.985 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)c1ccccc1 1861886560 MVCMTFZHNPZZAJ-HSZRJFAPSA-N 448.954 4.506 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(C)c1 1862380057 RWTOMMCPLIXUQF-LJQANCHMSA-N 434.319 4.917 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1862383975 SSUHXECXOXHLPP-LJQANCHMSA-N 448.302 4.753 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccccc2)cc1 1862413125 WFHNYJMBJZMGKZ-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862417692 XPLAZYUTEMGLSU-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862458737 UORTWCHVOGYMFR-HXUWFJFHSA-N 431.410 4.633 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862498317 FRFZGRSCJKFUOI-LJQANCHMSA-N 434.319 4.571 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C(C)C)ccc1OC(C)C 1862510891 GTWNSLRXJPECGG-QFIPXVFZSA-N 441.499 4.917 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862527402 WYLSYZQAVTVPCR-IBGZPJMESA-N 437.293 4.695 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc(Cl)c1 1862561882 ZCJNFRURHCNKKN-NRFANRHFSA-N 442.943 4.707 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862600656 OSSZJAQEAOIYLD-QHCPKHFHSA-N 434.536 4.759 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(C)c1 1862604971 JQTPLLMMZJTUDW-QHCPKHFHSA-N 435.520 4.925 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862611070 AONOVAXASSUASF-IBGZPJMESA-N 448.302 4.751 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C(C)C)cc1OC 1862622382 ICSHAVKIMGXBFN-JOCHJYFZSA-N 437.536 4.988 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H](C)O)c1 1862669117 OJUMNMGNBKBNSY-HXOBKFHXSA-N 437.536 4.558 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 1862699312 SADKYISBULYRLH-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc4cccnc34)C2=O)cc1 1862752114 WJYNUUIWIPDJAN-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3Cl)=C(c3ccccc3F)C2=O)cc1 1862926057 SXXACIIYYMDDBU-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(CCc3ccc(F)cc3)C2=O)c1 1863173952 YLGLDXFBEZDUAI-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(Cl)c2)=C(c2ccc(C)cc2)C1=O 1863275980 OYMRTJXGHDKPNJ-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccc(F)cc1F 1864626380 GSABSMGDVYTOGE-FQEVSTJZSA-N 446.542 4.661 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)COc2cccc(C)c2C)cc1 1870144861 NFZQOJSJKNGQPZ-UHFFFAOYSA-N 447.539 4.732 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 1870156295 FXPPVJBXVDUODX-UHFFFAOYSA-N 438.447 4.583 30 10 IJEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1870156885 GYXRYHIIQBQPOG-CYBMUJFWSA-N 444.322 4.975 30 10 IJEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1870157554 YFRLWEBPNPZKTQ-UHFFFAOYSA-N 444.322 4.860 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CN(C)C 1870415259 BLPYMAIITZZKSK-OAQYLSRUSA-N 441.616 4.527 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2)cn1CCc1ccc(F)cc1 1870468057 MVGGASTUMUOXHD-UHFFFAOYSA-N 432.539 4.983 30 10 IJEE CCCCCCCOc1cn(CCOC)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870831767 KEPVELSDKCKLMQ-UHFFFAOYSA-N 443.588 4.723 30 10 IJEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1cccc(Br)c1 1871011618 XWRBRYLTLTXIIY-UHFFFAOYSA-N 444.329 4.593 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c(OC)c1 1871386911 UNKCJOYTUSKFNK-JJFYIABZSA-N 434.419 4.987 30 10 IJEE Cc1cc(O)c(CN2CCC(O)CC2)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 1871394006 YFVAEWNWJAXTEU-XYGWBWBKSA-N 441.527 4.941 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4)c3C)C2=O)c1 1871453532 CZGVBZZHSCYKTB-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=CCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N(CCC)CCCC)n1 1871709179 RJPCKKPZDXIKJO-UHFFFAOYSA-N 425.625 4.806 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCC 1871844931 NQRZWKUUYGXNLU-QFIPXVFZSA-N 430.570 4.814 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872056113 JMPMBMXPBKHXAA-JOCHJYFZSA-N 446.588 4.981 30 10 IJEE C=CCNC(=O)c1cc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc2n1CCC 1873572855 NDGUWHGJLIBCJT-UHFFFAOYSA-N 439.563 4.964 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660584 OYMAAQIFOYBFBL-UHFFFAOYSA-N 440.551 4.572 30 10 IJEE COc1ccc(/C=N/n2c(CCCOc3ccc4ccccc4c3)nnc2SC)cc1O 1874198132 OZQAKHSQOHSMDU-PCLIKHOPSA-N 448.548 4.761 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874283349 CEUQHBLNZIYSDJ-BUVRLJJBSA-N 442.972 4.894 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1 1874297236 QPWXWIDNKXOCPS-LFVJCYFKSA-N 429.505 4.952 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)c1 1874310434 VZBDDHLRZWEJTN-JVWAILMASA-N 447.539 4.781 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874376493 YXBBBFKCXUEFIQ-FSJBWODESA-N 434.924 4.760 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCO)nnc2[C@H](C)c2ccccc2)cc1 1874398031 RAKUXLXIFHDUCT-VWBBVOOFSA-N 438.597 4.966 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccs2)cc1 1874421816 GAIBNSCFAWCIJI-CIAFOILYSA-N 439.591 4.990 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc1-c1cccs1 1874422819 GOCLNJOUOFKYSV-OEAKJJBVSA-N 439.610 4.738 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(C)cc2)o1 1874423292 FZIUJPSXOPJCBW-WSDLNYQXSA-N 438.534 4.869 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@@H]2CCCO2)c(O)c1 1874450274 XUOHALJJJYZLFE-PWYGXMRTSA-N 446.532 4.869 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccccc1O 1874475321 UDWAGVQPODRMBN-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cccc(OC)c1 1874478205 UKCALBCGJYJHRQ-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(NCCCCCCCC)ncnc21 1875230324 ULPHQWQUOSKUTJ-UHFFFAOYSA-N 440.636 4.556 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2cc(Br)c(Cl)s2)C3)OC1(C)C 1879730571 ODBPGBDCFMEJKB-BMLIUANNSA-N 446.603 4.862 30 10 IJEE CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@H](c2cccc(F)c2)C1 1891115766 NXHWJNYQWQFLGW-KRWDZBQOSA-N 434.355 4.992 30 10 IJEE CC1(C)OB(c2ccc(OCCN(Cc3ccccc3)Cc3ccco3)cc2)OC1(C)C 1915089793 CZDCUXZGXQBJCW-UHFFFAOYSA-N 433.357 4.660 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)C(C)(C)C1 1922083698 RLEGVNLSGGXGOR-GJZUVCINSA-N 446.632 4.668 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)CC#C[Si](C)(C)C)C1 1987471004 SGIIBJOYJYAVHB-XMMPIXPASA-N 429.633 4.670 30 10 IJEE CCCN(CC(=O)C=C1N(C)c2ccccc2C1(C)C)Cc1nnc(-c2cccs2)o1 2040459424 SRGDDODVPLWCLP-UHFFFAOYSA-N 436.581 4.891 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cc(Cl)c(C)cc1Br 2076355663 HUADMEWLGHZUPO-UHFFFAOYSA-N 431.758 4.612 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080022399 JVESHOAXLQVYRM-SFHVURJKSA-N 435.309 4.881 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc(O)n2nc(C3CCCCC3)c(C#N)c2n1 2080849495 PWOQUHSQDKSNBL-SFHVURJKSA-N 425.533 4.816 30 10 IJEE C[C@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)ccc2C#N)C1 2181142359 VKPMYQNPWMWRKP-RNODOKPDSA-N 436.350 4.733 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CO1 2214513235 JOMHGBNGPAETRZ-FQEVSTJZSA-N 427.419 4.617 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2224116610 DCTKRYZNQANZDD-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cnc2C#N)C[C@@H]2CCCC[C@H]21 2240964835 AXLIEFYVYMDSQL-DHSIGJKJSA-N 435.366 4.696 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@H]1C#N 2243918232 CRUJWMVKRYRFIB-WDNCENIBSA-N 445.563 4.748 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2255648204 KEHAYBVZMWYZEO-HNNXBMFYSA-N 430.354 4.837 30 10 IJEE COc1ccc(Nc2ccc(Br)cc2C#N)cc1I 2265733450 HKLDYMPRYSFTET-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267118100 HYQLTASMXJLYGF-IYARVYRRSA-N 444.381 4.565 30 10 IJEE CC(C)[C@H]1[C@@H](C(=O)Nc2cc(Br)ccc2C#N)CCN1C(=O)OC(C)(C)C 2279331202 OGEAWAHZYUHKBV-RDJZCZTQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](O)C#Cc3cccc(Br)c3)CCC[C@@H]12 2296233547 YMEFBCPFIHNKNQ-XQBPLPMBSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](N)C#Cc2cccc(Br)c2)C12CCCC2 2296272682 LUCMTBKZXMMEKB-OALUTQOASA-N 433.390 4.698 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296282855 ACTFQDKHAPTDHH-YSIASYRMSA-N 435.406 4.862 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3[C@H](c3ccccc3)CC(=O)O4)C2=O)c1OC 2297639820 JZGHXEGLKUZESP-SFHVURJKSA-N 428.440 4.761 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)s1 2324804051 VLLXKSROVHOENL-KRWDZBQOSA-N 449.532 4.821 30 10 IJEE COc1ccc(C=C2Oc3cc(OCCOc4ccccc4F)ccc3C2=O)cc1OC 2324851358 XKRLFNRRZFSXMH-UHFFFAOYSA-N 436.435 4.917 30 10 IJEE CC1(C)OB(c2ccc(CSCCC(F)(F)F)cc2Br)OC1(C)C 2325211986 MOCFJOUYXRDTRN-UHFFFAOYSA-N 425.119 4.934 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1OC 2325683880 OQZIWFIIWFUVAC-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)c1 2327476230 RAXLCSVWRJBVMX-UHFFFAOYSA-N 437.475 4.705 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 2330578226 AYVYLCFIKHNEPD-XMMPIXPASA-N 437.540 4.942 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C(F)(F)F)cc1 2331112708 YYWAFZJEGCBZNZ-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1N=Cc1ccc(OCCCCC)c(OC)c1 2331281225 WCQDJEMRQRVRON-UHFFFAOYSA-N 432.590 4.595 30 10 IJEE CC1(C)C[C@H](CNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CN1Cc1ccccc1 2364744026 TYQLPDLMUHZNOY-OAQYLSRUSA-N 445.416 4.570 30 10 IJEE Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(Cc4cc(C#CCO)cs4)C3)c2)c1 12431922 RXZKKQRPCJMEKF-XMMPIXPASA-N 444.600 4.918 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 20905362 CKMRWHIKOLEBMW-ZMOGYAJESA-N 430.537 4.752 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc4c(c3)OCO4)cc(C)c2C1=O 41291446 ZWPMDUHXPHHAPF-YVNNLAQVSA-N 430.412 4.568 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)c1OC 41660009 BIJHQBYYPANFPM-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE CC(/C=C/c1ccccc1)=N/Nc1nc(SCC(=O)Nc2cc(Cl)ccc2C)n[nH]1 59023380 FCRVENXMFRLYNO-VXASFQPYSA-N 440.960 4.999 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 62889177 FRHYMPOMHHXZQS-UHFFFAOYSA-N 444.900 4.605 30 10 IJEE CN(c1nc2ccccc2n1Cc1ccccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 95074672 LONUFWIPGKUFGH-UHFFFAOYSA-N 445.567 4.792 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccco2)c1 103127772 CNOTUXLAJJLDPQ-LCPUNJGISA-N 446.484 4.833 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(O)cc2)cc1 169959333 QYYICZNZYILJSA-QFIPXVFZSA-N 444.443 4.646 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)c1 169962349 QZPWSFPCOARSCS-HSZRJFAPSA-N 440.455 4.670 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1OC(C)C 169976438 ZUGQWNQGAJILFI-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccs2)cc1 169988884 IHQCMZGDAQVSGF-SFHVURJKSA-N 440.546 4.609 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccn2)cc1 169991993 HHODUCYAAUGMLM-DEOSSOPVSA-N 440.499 4.923 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc2ccccc12 170045124 IGILZXXABDYFDG-HFZDXXHNSA-N 441.527 4.916 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)s1 170072618 HDGAQCJVDBYIIG-LJQANCHMSA-N 440.471 4.817 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccco2)c1 170089784 XZMAXSYUAQOUEW-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccco2)cc1 170097246 ZSZBDTOXNDTDIE-XMMPIXPASA-N 431.488 4.776 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(C)o2)cc1 170099992 ZDEMTLFFNKXPGR-QHCPKHFHSA-N 446.503 4.836 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2sccc2C)s1 170107866 ORTHFLUXLCELGU-INIZCTEOSA-N 434.583 4.523 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(C)c2)cc1Cl 170144977 OEVUXYBWOAOWQC-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2OC)=C(c2ccc(OCCC)cc2)C1=O 170173783 ABHMRDDGXXMGRT-UHFFFAOYSA-N 426.900 4.515 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)c(C)c1 170173789 UNCPWCBZAAKVJD-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccccn1 170181043 KNDPYMUDZHIRLK-FQEVSTJZSA-N 444.915 4.521 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170209154 AREZJWKZINMDND-OAQYLSRUSA-N 445.862 4.655 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)c1 170223657 IPZMHKGHZHMKIK-XMMPIXPASA-N 441.483 4.858 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccc1 170224549 AGSVBOZDPGILDV-QFIPXVFZSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1 170229765 YPTGWFDOBUDTFK-AUSIDOKSSA-N 449.547 4.750 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2Cc2ccco2)cc1 170266415 PTVGBCUOLABKDN-HSZRJFAPSA-N 429.472 4.555 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(F)cc1 170271161 HEEGWLOVBTYCOA-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1 170279918 AMJQLGXCQREAGY-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccco2)c1 170282574 BFAMCLSGMARUIM-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)ccc1OC(C)C 170292736 ZHSOODOWLUEOPY-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)o2)cc1C 170307706 KSLURKJCGCZNSF-QHCPKHFHSA-N 446.503 4.859 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1ccco1 170316411 CQUHINKUSFBEAT-JLTOFOAXSA-N 435.501 4.751 30 10 IJEE N#CC1CCC(CNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 441144401 JOHWDPNOVMSIBQ-UHFFFAOYSA-N 440.341 4.761 30 10 IJEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(Cc1ccco1)C1CCCC1 460375179 NTBMGOBUVCQQAE-UHFFFAOYSA-N 447.587 4.570 30 10 IJEE Cn1cc([C@@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C(F)(F)F)cn1 487747837 IWYHYXFMSRFBQT-GOSISDBHSA-N 434.805 4.771 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)cc(Br)c1F 490502211 XEWHSPDZVOVFAH-UHFFFAOYSA-N 426.217 4.856 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@H](C)C#N)c2nccn2C)cc1 517474312 ZZJOONWXGIONSP-IIBYNOLFSA-N 435.553 4.592 30 10 IJEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526807302 UAVKTYQVEUNQQN-NHDPSOOVSA-N 431.905 4.585 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526821190 GATMRUOQUFYUNM-QRVIBDJDSA-N 433.493 4.782 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2/N=C\c2ccc(Cl)c(Cl)c2)o1 526830248 UCYXADPWWWGJLI-WNFQYIGGSA-N 425.297 4.529 30 10 IJEE C[C@@]1(c2ccccc2)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 558924994 GNADUBIZBMWTPP-MHZLTWQESA-N 435.531 4.617 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 558989909 CTMTXTCNLIPGIT-KRWDZBQOSA-N 427.574 4.755 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC[C@H](CCOC)C1 565273854 NKSQYBBEHJCOHM-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE N#Cc1ccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 586204106 GZFZEDKWUMZGCO-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC 726319526 JRNFKSKRCQFGMI-OXJNMPFZSA-N 431.540 4.797 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728903761 XTUVLVIUCKDUCW-UHFFFAOYSA-N 445.592 4.948 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)ccc1OC 741187514 FKMMUIQNPSKMHA-BPQIPLTHSA-N 448.441 4.695 30 10 IJEE COc1ccc(CNC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1C#N 747414879 JNYMTBZHHXCPNF-UHFFFAOYSA-N 446.454 4.709 30 10 IJEE C/C(=C/C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 749621152 SSDWLCNJQRPVMM-LMICACPXSA-N 445.466 4.521 30 10 IJEE C=CCN(C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)c1nc(C(=O)OCC)cs1 920244118 VEOVEIFBLLGEEY-KTKRTIGZSA-N 427.913 4.754 30 10 IJEE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)C1=NNc1cc(C)ccc1C 1084399098 XRAXTJWWSPUXSM-UHFFFAOYSA-N 434.481 4.526 30 10 IJEE Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 1084402147 UHSIKYMUIZJIND-FBHDLOMBSA-N 435.480 4.854 30 10 IJEE CCOC(=O)c1sc(NC(=O)CCc2ccc(Br)c(C)c2)c(C#N)c1C 1124146615 AULDDNRQWWCPFB-UHFFFAOYSA-N 435.343 4.747 30 10 IJEE C#CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CCCCC1 1124183061 XACUOPYQLNODRD-QTDGGUCWSA-N 442.625 4.702 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1124756159 HWYVKIQLLKDVBA-HSZRJFAPSA-N 433.533 4.538 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(c3ccc(C(C)C)cc3)CCC2)cc1 1125087737 PPWHRIWPFZYWEK-UHFFFAOYSA-N 426.582 4.677 30 10 IJEE C=CCOc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 1125422995 XXMTUACVEDXJAW-UYRXBGFRSA-N 442.537 4.621 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3C(F)(F)F)cc2C1=O 1127276298 GUXYYQGHLKYIJU-OXQOHEQNSA-N 442.437 4.554 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)OCc3cc(Cl)cc(Br)c3)C2)c(F)c1 1129721324 BOUWUNHESNWHPQ-AWEZNQCLSA-N 437.696 4.683 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1)c1ccccc1 1134862507 YKDRFSNWIUTLFG-UNTHUGQZSA-N 445.588 4.537 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC 1135342200 AAQPIBOHVIMLQM-CMQXMCPJSA-N 444.572 4.521 30 10 IJEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C)C(C)(C)C 1141644387 ONXSPRSRWBPFKJ-QHCPKHFHSA-N 440.609 4.916 30 10 IJEE C=CC[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccncc1 1147007012 JZJSRDZCLTUOEG-RUZDIDTESA-N 441.531 4.744 30 10 IJEE C#CCN(CC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1)C(=O)OC(C)(C)C 1149533630 HZORPVVCARXJHZ-UHFFFAOYSA-N 437.367 4.870 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 1158669118 ALCRKBVVELFPMX-XJFCNFDWSA-N 435.545 4.929 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 1158880559 BDGCVBWIGRREIY-MLGOLLRUSA-N 441.359 4.772 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(OCC)C(C)C)c1 1163371228 ZOUJPCPQBNQPCM-UHFFFAOYSA-N 436.961 4.523 30 10 IJEE C=CCn1c(S[C@H](Cc2ccccc2)C(=O)OCC)nc2cc(Cl)ccc2c1=O 1164458881 OLIQIXRXJANBNP-LJQANCHMSA-N 428.941 4.502 30 10 IJEE Cn1ccnc1[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccc(F)cc1F 1180160717 IDYNNNOOQPEQHU-HSZRJFAPSA-N 443.457 4.833 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1180194315 BNPCNTILJCLZTB-LJQANCHMSA-N 425.960 4.694 30 10 IJEE COC1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCC(C)CC1 1199686500 GFSKYFXXWJBLJR-UHFFFAOYSA-N 425.504 4.993 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 1199864963 JYJNOMXSCIONOJ-UHFFFAOYSA-N 439.556 4.853 30 10 IJEE C#CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 1202952780 WZGAZQPAHDXAKM-SFHVURJKSA-N 428.286 4.902 30 10 IJEE COc1ccc(CN(CCc2ccccn2)C(=O)Nc2cc(C)c(N(C)C)cc2C#N)cc1 1219021684 CVECSFVLEWUHBX-UHFFFAOYSA-N 443.551 4.613 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1224521386 GHVADWFCZBRJBB-UXHICEINSA-N 442.357 4.561 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cnc(Br)c(Br)c1 1264230027 BINVNAVZUXBWAU-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE C=CCC[C@@H](NC(=O)Cc1c(Br)cnn1C)c1ccc(C(F)(F)F)cc1 1266462309 IOVBVZADQQUBQB-OAHLLOKOSA-N 430.268 4.568 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC2(CCCCC2)O1 1286300692 CFWVHALDXWXJSX-FYYLOGMGSA-N 436.600 4.814 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1ccc(Cl)s1 1286301489 LRINZFSDXOINPN-QGZVFWFLSA-N 428.989 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1coc2ccccc12 1286303422 CHESXRLFYLVZSO-PXNSSMCTSA-N 449.555 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCOC(C)(C)C 1286518554 GVIDYAJIKMTBRB-UZUQRXQVSA-N 430.980 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1Br 1286555946 MSJJJDJASXXKMK-MJGOQNOKSA-N 431.378 4.536 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1286623596 URTNELDIFQQVKT-RDTXWAMCSA-N 445.932 4.634 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1286628607 JMKAUZXEXPHBMI-SFTDATJTSA-N 430.980 4.500 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2OCC)CC1 1286638634 HTRDVZBQMNSTDO-UHFFFAOYSA-N 442.361 4.639 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1286639132 YJGBDOXXLGTTPN-QFBILLFUSA-N 448.409 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC(F)(F)F 1286666051 CCDZBGUUHAMERK-UHFFFAOYSA-N 426.483 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCc1cnccn1 1286667198 IDOIETDIKOPVNH-UHFFFAOYSA-N 427.556 4.565 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccnn2)CC1 1286682909 XMTPZECOVKXYCU-UHFFFAOYSA-N 445.615 4.716 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286687501 JXLOHHIDZKQTEA-KDOFPFPSSA-N 444.448 4.659 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286696711 OHGWEKPJRQUBGL-LJQANCHMSA-N 425.577 4.571 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1286703757 GTHVLWFKKFDMBR-UHFFFAOYSA-N 437.632 4.832 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CC[S@@](=O)C(C)(C)C)C1CC1 1286739526 GOQLKSAGNHJYMS-GDLZYMKVSA-N 432.659 4.581 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1OC 1286740189 DXELSMYQBZDNRW-QPPBQGQZSA-N 447.583 4.665 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCc1cccs1 1286741957 FOKDZHOATPKBIX-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC1(C)C 1286755535 CQISXRVIUKFYJL-MRXNPFEDSA-N 431.378 4.941 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1286755743 KFOKSPGXDYJHEJ-LLJLJFOGSA-N 442.991 4.727 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC1(N(C)C)CCCCC1 1286760456 MHMLVZUYYJMQMI-UHFFFAOYSA-N 446.643 4.783 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1286776494 BUAAQWFGVMASJE-OAQYLSRUSA-N 444.023 4.502 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1286778392 CGZVAETVSJGNBV-SYYKKAFVSA-N 440.563 4.621 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCSC1 1288924657 CCJYUWRATFJYRK-IXFSTUDKSA-N 443.592 4.830 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)C1 1291104787 AQDZUCCKTFYNFK-VAMGGRTRSA-N 432.572 4.728 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c(OC)c1 1296274710 ZJJHOEDKTFOUDM-NRFANRHFSA-N 447.535 4.996 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N[C@H](CO)c3ccccc3OC(F)(F)F)c2)cc1 1297431506 BYYXFUKXHZZMEL-HXUWFJFHSA-N 442.393 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc2c(n1)CCCC2 1300324581 HTHCNXISCYLZBE-IBGZPJMESA-N 431.609 4.659 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@@H](OCC)C1CCCC1 1300438603 OLJFPJOFOYQGTG-XMMPIXPASA-N 431.584 4.857 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1300807652 BWTALLRQUCHXDW-VAXXYWNWSA-N 426.992 4.720 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)c1cccs1 1300919085 UMHYIWFJXCTKIK-UHFFFAOYSA-N 434.613 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1301071900 AINIMBRAQCRBCP-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1301164887 CATSJWRLCIVJPY-GHTZIAJQSA-N 447.549 4.663 30 10 IJEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1301217813 FIJPUNYHBZMNGQ-LJQANCHMSA-N 447.370 4.530 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@@H]1CCCC[C@H]1C)C1CC1 1301334925 SIPMJDOSRBTFGT-ZHHKINOHSA-N 430.637 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CC1(SC)CCN(C)CC1 1301357071 IPAOYZCLOZXAHF-UHFFFAOYSA-N 433.691 4.657 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCCS2)C1 1301538809 KYQFXMNHGFDIAR-NJDAHSKKSA-N 442.629 4.712 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1301615589 PYEVUCHUERGONM-MRXNPFEDSA-N 429.540 4.659 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(F)(F)F)CC1 1303008922 CEZWEJOROXIJJN-UHFFFAOYSA-N 428.462 4.966 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)c2ccccc21 1304063238 ADKQKQYZXRFXFF-GOSISDBHSA-N 437.565 4.696 30 10 IJEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1CCCc2ccccc21 1304065338 BFPWMVUUTFJFRN-VWLOTQADSA-N 444.556 4.640 30 10 IJEE C=CC[C@@H](Sc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1CC=C)C(=O)OC 1307253068 VFOMPJFBGHMQMD-MRXNPFEDSA-N 444.553 4.968 30 10 IJEE C#CCN(CC#CC)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1307499411 YUTYVFIQYMBZJQ-UHFFFAOYSA-N 447.991 4.955 30 10 IJEE C#CCN(C(=O)Nc1cccc(Cl)c1OC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1310297717 HFIHQZXYRKGVFM-UHFFFAOYSA-N 449.979 4.994 30 10 IJEE C#C[C@H]1COCCN1C(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 1310384020 COKNTRDXCQHVQX-HNNXBMFYSA-N 435.705 4.761 30 10 IJEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3(c4ccc(Cl)cc4)CCCCC3)C2)nc1 1311818147 HKHOTSABPXFQIK-OAQYLSRUSA-N 438.959 4.671 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCO[C@H](C)C1 1313769605 HLLNFAVOCTUNGX-UXHICEINSA-N 437.588 4.560 30 10 IJEE C=CCN(C(=O)[C@H](OC)c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352762291 DTYHUOPGLJTTEB-LJQANCHMSA-N 427.457 4.764 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSC(F)(F)F 1358878101 QEKGTOUNTFSMGN-STQMWFEESA-N 428.549 4.842 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSC(CC)(CC)C1 1358906804 UAPKPFRVFLNRBR-UHFFFAOYSA-N 442.629 4.878 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1358915124 SJYJECGUJKXGNG-UHFFFAOYSA-N 435.616 4.632 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H](CC(C)C)N(C)C 1359017121 UZJOZFKCRLZMBB-JOCHJYFZSA-N 427.612 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1Cc1cccs1 1359065092 IKXLOBIWFWMDMJ-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1CCC(=C)CC1 1359088267 GKJJMEBJINGNGU-UHFFFAOYSA-N 435.391 4.644 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1359091771 RNTVEWXPDHLRGZ-XZYOPWHXSA-N 426.605 4.936 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1359115575 FOESHEHWTRHHTQ-UHFFFAOYSA-N 441.620 4.769 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](C)[C@H]1C 1359132478 YNBJTUMQACVAAO-MSOLQXFVSA-N 439.585 4.523 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359144872 XIPQJISXZBGZMT-NRFANRHFSA-N 440.922 4.940 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC(C)C)C1 1359214284 YJZDWZQRSBCPNV-IBGZPJMESA-N 434.588 4.514 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1359248692 YLDKWCRCSKSBNG-YOEHRIQHSA-N 449.368 4.553 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1Cc1cccs1 1359254149 HFINJKSFFBAWSR-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1359344933 NLWQCICMUZBITE-INIZCTEOSA-N 441.551 4.585 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1359929518 HYMHPLVTSXOAIC-SFHVURJKSA-N 432.613 4.567 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 1436066671 ZMLQINSOIUNUEH-INIZCTEOSA-N 431.330 4.551 30 10 IJEE C=C[C@H](C)ONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 1452731814 AUNSOTNZFHAKMX-LBPRGKRZSA-N 429.373 4.622 30 10 IJEE O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 1457979234 CQDZIUKSTQPXIF-AWEZNQCLSA-N 437.359 4.730 30 10 IJEE C=CCn1c(SCc2cc3n(n2)CCCC3)nnc1-c1ccc(Br)cc1 1458829544 PVTHQYNRLVTLMD-UHFFFAOYSA-N 430.375 4.719 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1Cl 1459760939 BQTGCQYRTSQWNI-UHFFFAOYSA-N 436.987 4.671 30 10 IJEE C=CCOc1c(Br)cc(CN[C@](C)(CO)C2CCCCC2)cc1OCC 1461231294 HSHLKLYMZPGTSC-OAQYLSRUSA-N 426.395 4.834 30 10 IJEE Cc1ccc(NC(=O)C2(CNC3CCN(c4ccc(C#N)cc4)CC3)CCCC2)cc1C 1461251559 GWHGDGNFQWRUIO-UHFFFAOYSA-N 430.596 4.933 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(-n3ccnn3)c2)cc1OCC 1461348587 YXJSHJRECMVSBF-UHFFFAOYSA-N 429.318 4.605 30 10 IJEE CC(C)(C)n1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(-c2ccccc2Cl)n1 1462091396 CUCICJIKWSDPSX-UHFFFAOYSA-N 447.970 4.793 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-c2nnc(CC)o2)cc1)c1ccc(Br)cc1 1465748325 IQTAGSOLQOSKEK-QGZVFWFLSA-N 425.286 4.558 30 10 IJEE C#CCOc1ccccc1NC(=O)N(C[C@H](O)COc1cccc2ccccc12)C(C)C 1466207619 SQJWMZBSQYCHNN-NRFANRHFSA-N 432.520 4.534 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 1470785605 AVWMUYXFUQXDNL-CSMYWGQOSA-N 449.311 4.935 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C2)CCCC1 1470790917 SFSLNXLLULTORE-GOSISDBHSA-N 431.543 4.736 30 10 IJEE C=C(C)COc1cc(CNc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)ccc1OC 1474140827 ROGILHIJHVRFMC-UHFFFAOYSA-N 432.586 4.600 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1OC 1474729721 JVAUYTMDIIMYQA-AWEZNQCLSA-N 427.854 4.712 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 1477670299 XKLXJFRXWLGDRN-DNQXCXABSA-N 425.548 4.596 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc(Br)cc1 1495560190 AEYRTIIMKMJQLG-HRAATJIYSA-N 430.394 4.927 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC#N 1500539259 AQRHBFDFWKAYKV-IFMALSPDSA-N 447.631 4.743 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN1CCCCC1 1507519609 TXBCLFWEHKHVLK-LJQANCHMSA-N 448.640 4.711 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccco1)N(CC)CC 1507525236 FNBNLMDUGBRWBP-YLJYHZDGSA-N 425.964 4.733 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC(C)(C)C1 1507572888 ADABGPSQOHMVDD-SFHVURJKSA-N 430.980 4.717 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C(C)(C)C)C1 1507576940 NVASCWILUAIRNV-UWJYYQICSA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507697908 NXJWKSDHNWWIBY-UGKGYDQZSA-N 429.008 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCOc1ccc(Cl)cn1 1507700991 WRPSFJNZVDXLOJ-QGZVFWFLSA-N 441.938 4.698 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507703241 RXDVJWAXPLZHQP-CWBXHPNXSA-N 436.600 4.557 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1Cc2cccc(Br)c2C1 1507774661 AMMDQPZQPSNNML-LLVKDONJSA-N 440.183 4.983 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CC#N 1507796152 LEYVKMHHBCGIPY-YDHSSHFGSA-N 430.556 4.521 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)c1ccc(F)cc1 1507812457 LWRGMJNTSPXRMD-VWLOTQADSA-N 444.595 4.838 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1507832714 NCNATYVCMCFXKL-HXUWFJFHSA-N 431.625 4.670 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1507859094 XBBKLVRMXHIMIU-YJBOKZPZSA-N 430.339 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1507878097 IMMVDLHKECAWIR-UHFFFAOYSA-N 435.475 4.634 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCCCC2=O)CC1 1507881784 YJKKGWOELYESLY-UHFFFAOYSA-N 427.980 4.548 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCCCOC)CC1 1507896713 JQZPVWDACFZXEE-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1507922895 JDKVXLVTWISGMX-UHFFFAOYSA-N 435.616 4.574 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1507925904 KSRXPZQCURUMCY-MRXNPFEDSA-N 443.901 4.898 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=C)Cl 1507929267 PJEDVMKABPKTDA-UHFFFAOYSA-N 426.790 4.981 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC[C@@H](OC)C(F)(F)F 1507998233 OAIRGUXKVOFDAJ-GOSISDBHSA-N 440.510 4.744 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC[C@H](O)C1 1508033779 OPKURJJNKSUNBS-GMAHTHKFSA-N 434.584 4.557 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1508165058 PQQLXNSYRUOBKR-WOJBJXKFSA-N 428.602 4.792 30 10 IJEE CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC[C@@H]1C 1512987556 ATCRLSKGMAOYIK-HFMPRLQTSA-N 434.632 4.812 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(CN(C)C)c(Br)c2)cc1OC 1523368122 LWRDVCKQNXZBGT-YRNVUSSQSA-N 445.357 4.736 30 10 IJEE C#C[C@H](NC(=O)[C@@]1(CC=C)CCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1525053969 HUXGVYDULHRENR-PGRDOPGGSA-N 447.373 4.585 30 10 IJEE C#Cc1ccc(C(=O)Nc2sc(Br)cc2C(=O)c2ccc(C)cc2)nc1 1525215547 FRJHIOMRTOXPGI-UHFFFAOYSA-N 425.307 4.679 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1525572522 BDIINRDXGTWRBX-LJQANCHMSA-N 447.560 4.591 30 10 IJEE CC#CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1530501192 FPTKGXFYQBZDND-UHFFFAOYSA-N 440.565 4.786 30 10 IJEE Cc1ccc(C(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)cc1C#N 1532226373 GJULJHPKXWEMSV-UHFFFAOYSA-N 438.310 4.881 30 10 IJEE Cc1c(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1538985391 CDPGIKJTNNPCES-MAUKXSAKSA-N 427.570 4.989 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)c1c(C)noc1C 1539196837 ZUKOLRZWPOLHDF-CQSZACIVSA-N 429.977 4.702 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)OCC 1539400985 OSOVPHUQNFGCDL-UHFFFAOYSA-N 447.004 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539912455 JQJXSIXPAXKOKY-LJQANCHMSA-N 447.505 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(N2CCCCC2)CC1 1539924580 ULIZWLKQRQVMFI-UHFFFAOYSA-N 427.662 4.987 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1539940192 OMPJFOCCKCRHOH-XMMPIXPASA-N 431.584 4.689 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539955134 QDGKEKCSUXEXCH-QGZVFWFLSA-N 447.986 4.837 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@@H]21)C(C)C 1540146842 FTVUTVFXTKNFSZ-TZRRMPRUSA-N 430.600 4.504 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCOC[C@@H]1C 1540187955 YIUQWWAUAMYKFB-GMAHTHKFSA-N 434.584 4.678 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 1540412939 KHLLSPBGKFAMBW-WIYYLYMNSA-N 432.561 4.521 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1540855512 XTNAQGHWRUBHDZ-SFHVURJKSA-N 425.758 4.552 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@](C)(C#N)C1 1540922428 NURYNMGJZRTJSM-JOCHJYFZSA-N 443.642 4.628 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)C(C)C 1544403166 NJZUQHNNSHVRRT-QHCPKHFHSA-N 426.495 4.673 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(c3ccc(F)c(Cl)c3)c3nccs3)cc2C1=O 1544702376 XVLAONKHSDHUPH-UHFFFAOYSA-N 441.871 4.696 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1546880000 GDWVCJCNQBRYIT-QZTJIDSGSA-N 440.592 4.602 30 10 IJEE CCN(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(CC#N)CC1)c1ccsc1 1547436349 GDXLUJTZAGQISR-NRFANRHFSA-N 426.634 4.820 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1564406255 CBNOLQNBHFSECN-RTWAWAEBSA-N 445.485 4.904 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1570390417 QDZHPLLIXXFWFT-ZBFHGGJFSA-N 442.478 4.693 30 10 IJEE C=CC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CCCN1C(=O)OC(C)(C)C 1583860214 BJQDYHGGYQIOAP-LJQANCHMSA-N 447.885 4.716 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCC(=O)N[C@@H](C)c1ccccc1 1584642072 TXZPRSKSKXVIHH-HNNXBMFYSA-N 431.330 4.610 30 10 IJEE C#C[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(Br)cc1 1584707701 DDXWDJXGJUQSIO-LJQANCHMSA-N 441.350 4.828 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1587373779 OASVPGFCPZPBCT-AWEZNQCLSA-N 438.368 4.969 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC1CC1)C1CCCCC1 1587818065 PGBVDWUGSOJSCX-UHFFFAOYSA-N 430.394 4.998 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1587827279 JRIFDANYSMKFBO-QFIPXVFZSA-N 449.643 4.787 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OC)CCC(C)CC1 1587939886 IGYAXRGYFHZYQX-UHFFFAOYSA-N 448.567 4.782 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@H](C)C1 1588104919 CZAXLLNIXQQEQE-WMZOPIPTSA-N 425.374 4.525 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCSCC(C)C)CC1 1594035116 DEGPKEHWLBYSSG-UHFFFAOYSA-N 430.618 4.898 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(C)on1 1594449000 RCAQGWWRYXLEAN-UHFFFAOYSA-N 436.560 4.682 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1594460846 DRDUOHZOCLRMDA-SFHVURJKSA-N 443.592 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1594528724 MRHFWXGIARSRLY-PMACEKPBSA-N 440.588 4.616 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)c1ccccc1 1594552144 IBCIPVCNHVUXGB-DNQXCXABSA-N 448.615 4.829 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1594651448 LOFPZCNYBYRJRC-RDPSFJRHSA-N 442.629 4.619 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H]1CC 1594720333 JLYLTVHAHUASTM-OALUTQOASA-N 434.588 4.827 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)c1c(C)noc1C)C1CC1 1595033334 FYPMFNDSMOTFPH-HNNXBMFYSA-N 437.544 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CCC1(F)CCC1 1595166265 RTLRGWKVYRLMOK-UHFFFAOYSA-N 428.581 4.676 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CC[C@@H](C)C2)C1 1595707344 VRKBMUAWCQTMBM-FGTMMUONSA-N 445.405 4.925 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1595878620 QNXMLSMTRGMZDG-FGZHOGPDSA-N 447.693 4.531 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 1597391483 RQRJUBXDNYRIOX-INIZCTEOSA-N 445.441 4.869 30 10 IJEE CC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1598158574 CXGMYKXOEZXVHL-UHFFFAOYSA-N 431.517 4.848 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)cn1 1615010071 BDROZQHLXBNSTP-IBGZPJMESA-N 444.583 4.921 30 10 IJEE C#CCC(C)(C)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1618457974 MQDNYLNSKFRTIC-UHFFFAOYSA-N 430.548 4.753 30 10 IJEE C#C[C@@H](NCc1ccc(I)cc1)c1ccc(Br)cc1 1621357076 QSTXGKKOTVRWRL-MRXNPFEDSA-N 426.095 4.518 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1623729725 CQKQAOAQZDHNNA-UHFFFAOYSA-N 438.300 4.575 30 10 IJEE C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1scc(C(C)(C)C)c1C#N 1625087538 FSACYWFRPRZODK-GOSISDBHSA-N 440.613 4.672 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](O)c3cccc(OCc4ccccc4)c3)cc21 1627746149 ABJRIBJQKDBSDU-RUZDIDTESA-N 442.519 4.656 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCO[C@@H]1CCCc2ccccc21 1628106832 DDAMGVJBFVKMJI-HSZRJFAPSA-N 431.536 4.651 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 1630267498 BISAFTZADVDVND-IBGZPJMESA-N 428.458 4.878 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1631748174 HQTDLQAEPVGYMD-JOCHJYFZSA-N 431.502 4.720 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 1633471379 PQCWFSQUCIRBEI-RTWAWAEBSA-N 431.458 4.959 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 1634435844 SESMNVWKAMRLES-NOZRDPDXSA-N 425.523 4.890 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 1635805837 LWHKPUJVWGHTKA-UHFFFAOYSA-N 435.907 4.870 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1F 1636572348 ZTNNVFQAZGKKJU-GTNSWQLSSA-N 433.270 4.917 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)cc1 1641408727 ASUIXPOOUYXIHH-FQEVSTJZSA-N 434.561 4.555 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 1644503906 BHXXTIFCZWLQED-AWEZNQCLSA-N 433.321 4.806 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 1644732735 DAWUSWWHNKXVDU-NVQXNPDNSA-N 437.653 4.639 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1646623487 GQQNIJIETPSDCM-HKBQPEDESA-N 440.565 4.833 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCC(C)(C)C[C@@H]3c3ccccc3)ccc2c1=O 1650785050 DTDAHFCVHWIGHO-NHCUHLMSSA-N 447.604 4.964 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)cn1 1655087439 FPEUEWZJADIYIP-UHFFFAOYSA-N 434.304 4.531 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(C)cnc2Cl)c1 1661060727 MWBXTHXLTWNOAF-UHFFFAOYSA-N 443.908 4.607 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cnccc2C(F)(F)F)cc1OC 1662917793 CMHMWHNNDIEUMD-UHFFFAOYSA-N 431.252 4.726 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)cc1OC 1665957192 QPVKLQQEUKKLPD-HXOBKFHXSA-N 436.980 4.793 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 1666836471 GILLMOOWLHJQNU-UHFFFAOYSA-N 430.436 4.932 30 10 IJEE C[C@@H](CN(C)C)[C@@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1668146063 BAINLLBIGFTXQC-MBSDFSHPSA-N 438.547 4.860 30 10 IJEE C=CCC1(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)CCOCC1 1670240090 QDHUMXLZKUMCHA-UHFFFAOYSA-N 436.371 4.520 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccc(Cl)cc1F 1676641445 FAEKVBHEJWRZAY-MRXNPFEDSA-N 444.812 4.603 30 10 IJEE C#CC[C@H](NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 1679192110 SJLNCRJVHFYBDS-QFIPXVFZSA-N 429.486 4.687 30 10 IJEE C#CCN(C(=O)NCCCc1cccs1)[C@H]1CCOc2ccc(Br)cc21 1680402809 RAKMPJFDCDPSNT-SFHVURJKSA-N 433.371 4.612 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)NCc3cc(Cl)cc(Br)c3)CC2)cc1 1682066179 GZRUUHGWIXHEOG-UHFFFAOYSA-N 430.733 4.973 30 10 IJEE C#C[C@H](NC(=O)N(CC)[C@H](C)Cc1ccc(OC)cc1)c1ccc(Br)cc1 1682356995 QHMIHAIFHPZERO-IERDGZPVSA-N 429.358 4.795 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)Cc1ccc(OCc2cccs2)c(OC)c1 1682524687 TWIBSWKIBRYDGU-UXHICEINSA-N 430.570 4.601 30 10 IJEE C=CCC[C@H](NC(=O)NCC[C@H](N(C)C)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1685820574 YZRJIZRFPRWMFU-HOTGVXAUSA-N 425.417 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)N1CCC[C@H](C)C1 1689836078 XXAAEEYFZIBTFI-MUGJNUQGSA-N 439.673 4.710 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1689895567 YNWIPJNKZCDDQH-PMACEKPBSA-N 442.554 4.594 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCOC)Cc1ccco1 1689917626 AQFKVXJKCLNOEU-UHFFFAOYSA-N 438.597 4.935 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CCCCC1 1690158057 WGOLMWDBUCOHQS-GOSISDBHSA-N 430.593 4.940 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1690161323 ARERDLJZAOJSQO-FGZHOGPDSA-N 438.641 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C(C)(C)C)no1 1690214575 OPOYDOAMTNXVKP-RQBNJVACSA-N 439.604 4.523 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C)CC1 1690241299 QWOPODWCJJYCLL-NOXFTYBFSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1690424355 MHTGSYLXRTZYDC-PMACEKPBSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](OC)C(C)(C)C1 1690437401 BWCISUXWCMHTLD-NRFANRHFSA-N 426.605 4.883 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1sccc1C 1690518472 LAKYCBHOKUBWBP-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1csc(-c2ccco2)n1 1690586088 FAYIAPSZIXTTDR-UHFFFAOYSA-N 448.508 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@H]1C 1690600998 NDQMLWJFAAEXKZ-VGOFRKELSA-N 433.021 4.953 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC[C@H](F)C1 1705588733 IZGZMQYRLDLNGX-NSHGMRRFSA-N 428.939 4.673 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCCN1CCCC[C@H]1C 1705625787 WVTBZUJWAYMQNO-OAQYLSRUSA-N 437.607 4.979 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1705683813 DUZUXURQJOLJEV-PBHICJAKSA-N 449.374 4.783 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CC(C)C 1705698720 XSWGMQBXGRJJON-NFBKMPQASA-N 434.588 4.799 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705701905 JOXFNOKWHQKVHG-LAUBAEHRSA-N 447.027 4.539 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1705704704 YLFVGIDRXYTCFL-HNAYVOBHSA-N 429.977 4.673 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2c(CC)noc2C)CC1 1705777248 BIJYKSOSNYBAOU-UHFFFAOYSA-N 443.498 4.856 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1705806777 MEHCREGXNDCKQF-HXUWFJFHSA-N 436.560 4.551 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](CC)N1CCCC1 1705835416 JZGWNFOUPBZKNK-HXUWFJFHSA-N 436.629 4.874 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCN(CC(C)C)C1 1705859012 DXPQDEWYQFRNTR-DEOSSOPVSA-N 444.627 4.901 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCCC[C@@H](COC)C1 1705913819 YWUDBYFHEGFIIF-JOCHJYFZSA-N 438.616 4.877 30 10 IJEE CC(C)c1ccccc1OCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1706267657 BADRYGOWQAFQSE-RDGATRHJSA-N 437.588 4.852 30 10 IJEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N1CCCC1 1706484430 DHOWDPDGXVGWJG-OAQYLSRUSA-N 434.613 4.808 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1712014580 CJFLEBMOGKMOJT-OKYOBFRVSA-N 443.617 4.521 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCCc1ccccc1 1722325455 JWRDSWOBGJLXRJ-UHFFFAOYSA-N 440.389 4.908 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1722469526 GWZMQIZVACHMLI-ATIYNZHBSA-N 431.584 4.704 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(C)C)C1 1722496382 KWKAYBKRQJMJKB-DQLDELGASA-N 448.970 4.580 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1722534918 RZYPWQNODNETHR-INIZCTEOSA-N 433.478 4.798 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCN(C)CC(F)(F)F)CC1 1722576030 HOWNTXYCDFXQGM-UHFFFAOYSA-N 433.478 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C)C1 1722583586 PLBYNKYXTJDCQA-QGZVFWFLSA-N 429.996 4.700 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1conc1COC 1722636450 KWJNGRQMSCBIQW-UHFFFAOYSA-N 439.516 4.618 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](c1c(F)cccc1F)N(C)C)C1CC1 1722646763 WERAFNUHESNQGU-IBGZPJMESA-N 427.499 4.582 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H](C(C)C)N1CCCC1 1722662849 MSTNBHKBRNZKOH-QFIPXVFZSA-N 438.645 4.658 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@@H]1OC 1722678078 KRCPGAUDEVQUQH-IRLDBZIGSA-N 426.605 4.697 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722739121 GFRGJHFLAJQILE-LJQANCHMSA-N 432.659 4.659 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)CC[C@H]1C 1726596421 BSAKNFYLIKEFFR-JBYIUTFZSA-N 434.613 4.663 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)C1 1729268979 DJELSBOMEWJQFL-QPPBQGQZSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCC(C)CC1 1740534914 KVPTYECWJGKSDL-VQTJNVASSA-N 444.023 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1740536685 KZKBDHWJNZZIGE-YEWWUXTCSA-N 442.336 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1740560679 NTBYZZCBWXIYPE-UYAOXDASSA-N 430.543 4.745 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1740652285 WXMYXQKRHAHSDG-ISKFKSNPSA-N 443.620 4.553 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1cc(COC(C)(C)C)on1 1740675623 FQGGGFZQVGLRNA-UHFFFAOYSA-N 439.535 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1740725103 HIGXMMIHXGHLDT-JBIZMDSKSA-N 442.991 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1740762288 SJCADKRQMXQXFD-LQWHRVPQSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CCc1coc(-c2ccc(C)cc2)n1 1740772671 ZTFITSBGTSHTPE-UHFFFAOYSA-N 430.556 4.892 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)CCOC)CC1 1740820078 PTXQPYRCWOLERU-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1740825462 WBKYOUXBLXTNQG-OHUGHZGNSA-N 440.588 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740843967 AECNIJXBEUYWIX-NRFANRHFSA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(COC)CC1 1740844518 KFJUNOWSAHRKIH-UHFFFAOYSA-N 432.515 4.932 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1740846977 SOWGIQFBICGTNL-FQEVSTJZSA-N 446.599 4.598 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1740854087 CTWCYAIMRFQVLX-URXFXBBRSA-N 435.616 4.648 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)CN2CCCCC2)cc1 1742292475 FLQNGAUPAKIYMB-RTWAWAEBSA-N 440.661 4.597 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCOC2(CCCC2)C1 1748741009 XGLILDBMKSFPTG-UHFFFAOYSA-N 436.600 4.933 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSCC(C)C 1748833192 LHYZUZJHKCKNRN-SFHVURJKSA-N 426.655 4.593 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)OC1CCCC1 1749085782 FIIAKWXHNUEXGV-CQSZACIVSA-N 439.329 4.776 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1749287966 IPXDNVUFGTWEBX-MOPGFXCFSA-N 445.558 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749364649 VRMRKHJHQFLTHV-IBGZPJMESA-N 438.601 4.594 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br 1749383628 BIVOIZHIDWEMHW-UHFFFAOYSA-N 438.320 4.987 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCS[C@H](C)[C@H]1C)c1ccccc1 1749384915 JKMVRRCJCVRENI-UGESXGAOSA-N 426.630 4.862 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 1749392024 XVULVONYPHEOJR-HXUWFJFHSA-N 431.382 4.532 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1749413229 SKROADLSXLHXLE-LPHOPBHVSA-N 443.548 4.558 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1749465526 FUFLEQUHAUBURM-UFYCRDLUSA-N 429.584 4.547 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1760108141 VOMITNWTWSTSFK-SXWKCWPCSA-N 433.625 4.856 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760141768 HFRVEKACHMZZPM-SANMLTNESA-N 438.616 4.919 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1760159868 RFHNUVVPPQLCIN-IBGZPJMESA-N 445.032 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1cc(C(C)(C)C)no1 1760298876 YOQBOOONFKPSMM-AREMUKBSSA-N 447.583 4.800 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1csc([C@H](C)OC)n1 1760459345 POXSCVQVKDBYNW-ZDUSSCGKSA-N 448.390 4.542 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC1C[C@@H](C)O[C@H](C)C1 1760482308 GAHJLOSVDKRGGS-NHCUHLMSSA-N 431.584 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCSC1 1760485984 YSPFCONANCVGMN-HSZRJFAPSA-N 440.638 4.630 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCCN(C(C)C)CC2)cc1 1760531722 XKOWFQFGNSVVMD-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760533258 OKQCEQJHKKPAPB-HXUWFJFHSA-N 430.543 4.961 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCC(F)(F)C2)C1 1760549813 NELJQBGAVRCLAH-VQTJNVASSA-N 446.542 4.691 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)nc2)c1 1858277573 CLTKIBZBNFIARV-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE Cc1nc(SCC(=O)Nc2ccc(C#N)cc2)nc(O)c1Cc1ccc(C(C)C)cc1 1858518557 RFNZCJIYFRERDN-UHFFFAOYSA-N 432.549 4.807 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(O)cc1)c1c(F)cc(F)cc1F 1862457093 HUGQGTSFPRVQRL-OAQYLSRUSA-N 439.389 4.588 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(Br)c2)c1 1862496112 BWUNYNZSDHNUCW-IBGZPJMESA-N 426.310 4.807 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc3ccccc23)cc1OC 1862573473 DFGVNLCFDPOXPO-QHCPKHFHSA-N 429.472 4.598 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(Cl)cc(Cl)c1 1862611377 KAGUQEJEZSBBLX-LJQANCHMSA-N 448.302 4.753 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cc(Cl)cc(Cl)c1 1862632759 WPGRFKFHROKASV-SFHVURJKSA-N 434.275 4.709 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c(OC)c1 1862653632 SZGICZKRRRTNKV-WNSKOXEYSA-N 431.488 4.931 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(N(C)C)cc2)c1 1862701628 JSZRJLYFPNVZSF-BSDZUQITSA-N 448.563 4.918 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCc1cnc[nH]1 1862713304 MGZXCZAAMDHLQZ-DEOSSOPVSA-N 437.499 4.692 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1C 1862886993 VROAEWGXHDBQAC-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863253507 LOHGMDAFMUBTQW-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866781411 IVWONHMHEBIMCB-BJKOFHAPSA-N 429.495 4.753 30 10 IJEE CCCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1ccc(C#N)cc1 1866827309 XPILADRKDJESOK-QFIPXVFZSA-N 443.551 4.503 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3ccc(Cl)cc3)n2)C1 1870023519 OMKAWUJIGNFQNP-HZPDHXFCSA-N 434.931 4.527 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 1870145870 SVBYBDSQRQROJG-SFHVURJKSA-N 446.555 4.515 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccc(Cl)cc1Cl 1870148171 YQQLGFWPEPGTFR-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 1870157236 QSRMYCGOCBSHIR-UHFFFAOYSA-N 444.322 4.860 30 10 IJEE C=CCn1cc(OCCCC)c(=O)cc1CSc1nc2ccc(OC(F)F)cc2[nH]1 1870181037 JGNUYYKALVQMCT-UHFFFAOYSA-N 435.496 4.983 30 10 IJEE C=CCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2cccc(Cl)c2)CC1 1870467901 GELNEGPDTKYGKD-UHFFFAOYSA-N 449.982 4.589 30 10 IJEE CC(C)OCCCN1COc2ccc3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871346251 SJOWXOXBVXCWAC-CFRMEGHHSA-N 432.520 4.762 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 1871346417 FGQNSIMXPQKGHF-IWIPYMOSSA-N 429.472 4.542 30 10 IJEE COc1cc(/C=C2\Oc3c(ccc4c3CN(CCC(C)C)CO4)C2=O)cc(OC)c1OC 1871353501 SJVWQJNHYNKVEL-JMIUGGIZSA-N 439.508 4.527 30 10 IJEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871369605 UHSUTUQQCNXPMG-XKZIYDEJSA-N 444.443 4.805 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)cc1 1871371674 CEYRNVMPXAVNTR-XKZIYDEJSA-N 446.430 4.685 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871407542 OGKPJWCRLNBOHD-KSJDGYIASA-N 433.435 4.857 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 1871422379 YEHTVXDTQSCYKC-HMAPJEAMSA-N 438.476 4.592 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871456890 CESGZCLZYDNXGU-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 1871457013 JWSXAUDBROWWEV-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCC(O)CC2)n1 1871516141 OHWIZWWOOUHHCX-UHFFFAOYSA-N 444.599 4.690 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1871757913 AYTQSBYQOBCZAW-QFIPXVFZSA-N 446.638 4.631 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872246346 GSPMYPCSBLNIII-DYESRHJHSA-N 434.989 4.960 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872253119 CRHMZSZTPOPZHO-XMMPIXPASA-N 434.561 4.860 30 10 IJEE COC(=O)c1nc(-c2cccs2)oc1N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1873463160 BOQCCRSFIDMBNI-ZVHZXABRSA-N 447.472 4.855 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(O)c1 1874454208 FZWZBUZUDWJZLQ-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc(F)cc2F)cc1 1874461091 VWVKHKYKRZRYNO-LIMNOBDPSA-N 443.357 4.658 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874509419 BMYHJYQIEGASIX-FOKLQQMPSA-N 432.908 4.896 30 10 IJEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCC(=O)Nc2ccccc2C)cc1 1874524347 JXFUMTURWRLGFH-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1C 1874574386 JYDFRCAJLSBHHJ-WYMLVPIESA-N 445.515 4.604 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)c(F)c1 1874585091 LNWFJZMDFKJUKG-QPJJXVBHSA-N 439.252 4.955 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)c1 1874605008 CVBCJKLRQOUHBC-YRNVUSSQSA-N 434.404 4.987 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)cc1 1874615138 JEJNMFUMWRFXAX-LFYBBSHMSA-N 436.460 4.949 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1Cl)NCc1ccco1 1874626105 MQRSFCKOBIPCIY-XVNBXDOJSA-N 431.822 4.803 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)C(F)(F)F 1875094131 CFNKAXSHONEFHZ-CMDGGOBGSA-N 435.354 4.696 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1cccnc1 1875116987 CHBWQCFBNSJGOO-RUDMXATFSA-N 438.823 4.767 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cnccn1 1875124989 LPXNFPAIEFTRDX-ZZXKWVIFSA-N 444.821 4.922 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H](CNC(=O)OC(C)(C)C)C(F)F)NCCC 1984701621 UNQOLNNGARNELJ-WOJBJXKFSA-N 426.548 4.924 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](COc1c(N)ccc(F)c1C#N)C1CC1 2021712306 BGBLBDUNZPIOLT-NRFANRHFSA-N 425.504 4.874 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3cccc4c3c2CC4)ccc1OCC(=O)N(C)C 2042449199 BJFKJTPFSCJLFC-UHFFFAOYSA-N 429.516 4.700 30 10 IJEE CCc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079137939 RRNYRPWYNUNEGH-OAHLLOKOSA-N 427.236 4.859 30 10 IJEE O/N=C/c1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079232362 UDGWGSVCVHDTPK-LKNXVUQUSA-N 434.109 4.679 30 10 IJEE N#Cc1cnc2c(-c3cccc(I)c3)c(C3CCCCC3)nn2c1O 2081546519 LMOFFPYAYNRCBF-UHFFFAOYSA-N 444.276 4.626 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 2145541882 QTOKAEVKGKHDGP-CVEARBPZSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(C1)CN(c1ccc(C#N)cc1Br)C3 2174814499 IRAANZYCHJCJOD-OYRHEFFESA-N 432.362 4.548 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](CN(c3ccc(C#N)c(Br)c3F)C1)C2 2176931508 WUYAXQVEPJVWKE-XCLFUZPHSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C)C(=O)Nc1ccc(C#N)cc1Br 2181044196 GMFNXJUMOKTMEC-OXJNMPFZSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N[C@H](C#N)c2ccccc2)c1 2181054481 XUQFAGVCLXFUBX-QGZVFWFLSA-N 430.302 4.791 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 2247930806 KVMVBJZDBHEJMD-KRWDZBQOSA-N 425.403 4.797 30 10 IJEE C=C(CN(C)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)B1OC(C)(C)C(C)(C)O1 2256616550 BXZPGQYTUDBYMK-UHFFFAOYSA-N 430.354 4.602 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2262207571 SXIUFQVFJNYHKJ-SQJMNOBHSA-N 447.572 4.512 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296125314 AMPUFZZAMWGBAY-HSZRJFAPSA-N 442.471 4.568 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2296215789 DNASFYFLVJENAX-HZPDHXFCSA-N 449.311 4.624 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)C#Cc1cccc(Br)c1 2296217582 WKTLDXJCHBYWFK-LJQANCHMSA-N 426.310 4.736 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2296220746 BFFCGOJILCOIOP-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2cccc(Br)c2)CCC12CCC2 2296274644 VUVHKTVLXZSQJS-MJGOQNOKSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@@H](N)C#Cc2ccc(Br)cc2)C1 2296287938 ATDRKNFVTOVJIW-MJGOQNOKSA-N 435.406 4.801 30 10 IJEE CCCN[C@@H](C#CC1CCC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2315825691 XZZQKBSAJNJTMX-DEOSSOPVSA-N 439.644 4.718 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1OC(C)C 2320974358 BFNCXMRZLRXTCC-UHFFFAOYSA-N 425.514 4.710 30 10 IJEE CCn1cc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCN(C)C)C4)c2ccccc21 2322034968 WZBZMJUTFOEYSJ-UHFFFAOYSA-N 445.563 4.689 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)c1OC 2322785116 ZEUXQEKJXMTQBU-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2322904391 WJUSCADFLRNDFE-UHFFFAOYSA-N 443.499 4.834 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325107053 WKHWDWMBUWGSBU-UHFFFAOYSA-N 438.520 4.949 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3C(=O)O)c2C)C1=O 2325161858 MBPVBKOZYRBYTG-UHFFFAOYSA-N 443.455 4.635 30 10 IJEE Cc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCC(=O)NC2CCCCC2)cc1 2325489927 GJGKTEHHNSPUKE-UHFFFAOYSA-N 447.608 4.601 30 10 IJEE Cc1c(OCCN2CCOCC2)ccc2c1OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325675211 SMIHQGOKSLDJGI-UHFFFAOYSA-N 434.319 4.629 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1C 2325714444 YTCUTKHBOZXFIK-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccc(F)c(F)c1 2325746904 DSRZGZKDTNIMGP-UHFFFAOYSA-N 438.382 4.817 30 10 IJEE CCOc1cc(C=Nn2c(COc3c(C)ccc(C)c3C)nnc2SCC)ccc1O 2327272336 XLUWHHQYTAQIFS-UHFFFAOYSA-N 440.569 4.881 30 10 IJEE Cc1cccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329035296 HMGBBRACVHXQQJ-QFIPXVFZSA-N 447.608 4.528 30 10 IJEE O=C(O)c1ccc(C=Nn2c(CCc3cccs3)nnc2SCc2ccccc2)cc1 2329662369 HCUXACGXUGBOBS-UHFFFAOYSA-N 448.573 4.998 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330118683 FZVUXBYAKVQFLB-ZDUSSCGKSA-N 449.363 4.884 30 10 IJEE Cc1cccc(C=Nn2c(Cc3cccs3)nnc2SCC(=O)Nc2ccccc2)c1 2330317611 KRJHVQUVGJDYDV-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1N=Cc1cccc2ccccc12 2330738569 AYGJFHBGLHUHNP-UHFFFAOYSA-N 429.549 4.550 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 2331448794 AXJJIIVZTJRFGG-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCC)nnc1SCc1ccc([N+](=O)[O-])cc1 2331640639 JIRRQQMVJUDEHP-UHFFFAOYSA-N 437.525 4.878 30 10 IJEE CC[C@@H]1[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339540899 CZUPYPUHHUHLMQ-RBUKOAKNSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339595595 CPHBZSGQXOPRFI-QHDCNBPGSA-N 442.365 4.503 30 10 IJEE Cc1ccc(C#N)c(OCc2cc(I)ccc2Br)c1 2341776290 MVBPVUQPPNBLEK-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE C=C1CC(CNCCC)(Cc2ccc(I)c(Br)c2)C1 2349926527 ZCFQOMJONOAVPK-UHFFFAOYSA-N 434.159 4.932 30 10 IJEE N#Cc1cc(N[C@]2(C(=O)O)CCCC[C@H]2OCc2ccccc2)ccc1Br 2375627260 ILQIBUIHZQWVPZ-TZIWHRDSSA-N 429.314 4.715 30 10 IJEE C=CCCC(C)(C)N[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376315217 SUTZWCOAWOHQRS-AWEZNQCLSA-N 425.186 4.907 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccccc1C(=O)O 16928648 KIODKCJOKIPJAT-RDTAYAABSA-N 443.322 4.937 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)OC1CCCC1 21038325 JMUUOJIZKXFBQF-OEAKJJBVSA-N 437.525 4.621 30 10 IJEE CCCCN(CCCC)/N=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 22022738 OYHHWMRXXIRZLN-XQNSMLJCSA-N 442.472 4.958 30 10 IJEE Cc1ccc(C(=O)/N=C(\NCCc2c(C)nn(C)c2C)Nc2ccc(C(C)C)cc2)cc1 32973619 OMFLXOILODYAPE-UHFFFAOYSA-N 431.584 4.909 30 10 IJEE C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 36146578 DTBGMLRLVKGLJD-UXHICEINSA-N 449.378 4.552 30 10 IJEE Cc1c(C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c(O)n(CCc2ccccc2)c(=O)c1C#N 38620143 WQEJJGFVTCGJAC-LJQANCHMSA-N 444.531 4.750 30 10 IJEE C=CCN(C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1C)c1ccccc1 61329036 VSTCLGYOAOTTAG-UHFFFAOYSA-N 447.585 4.973 30 10 IJEE O=C(O)c1ccc(N/C(=N/CCC23CC4CC(CC(C4)C2)C3)NC[C@H]2CCCO2)cc1 65304895 MDFRZRQIFRPBJT-VBSWXYJSSA-N 425.573 4.528 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923127 FAWPMCYXZUMTCD-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(O)cc2)c1 169959086 XWVCYUPECDCUHV-XMMPIXPASA-N 441.483 4.727 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 170001936 VXAUWYWFBSECQI-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)c(C)cc4[nH]3)[C@H]2c2ccco2)s1 170099042 YCQMCAJWYNQWSS-SFHVURJKSA-N 448.504 4.629 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170151432 QEKAENBTLQWYML-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1C 170188618 SCJHJZFJQYYNFA-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)cc1 170198255 GFQMNDAEOMGRFO-NRFANRHFSA-N 434.517 4.709 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170257678 UFPQSGWBDCZZMZ-JOCHJYFZSA-N 428.419 4.796 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc(O)c1 170259581 LFEGCKKXGVDXAX-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C[C@@H]1CCCO1 170273521 AGTFITGCFPIXIG-URXFXBBRSA-N 431.532 4.631 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305967 DWUOWNJBQMGEBN-OAQYLSRUSA-N 437.398 4.584 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C)o2)cc1 170307339 GALKACIZKPNJKB-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C3C=C(C)CC(C)(C)C3)N=C2O)cc1 254483587 HGNXXVIRAYOXRC-SFHVURJKSA-N 428.558 4.964 30 10 IJEE C=CCCC[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br 398262432 UHVARUAYCPFURL-LLVKDONJSA-N 425.186 4.543 30 10 IJEE N#C[C@@]1(Nc2ccc(Cl)c(Br)c2)CCN(C(=O)OCc2ccccc2)C1 401875557 DYWZYVVXJQTRNN-IBGZPJMESA-N 434.721 4.819 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(C)C)C2)c1 446344852 UUIDDIJOLBDQAG-LJQANCHMSA-N 447.000 4.839 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCS(=O)(=O)C(CC)(CC)C1)c1ccc(C(F)(F)F)cc1 464371370 BGYKQPXOAYADJC-GOSISDBHSA-N 446.535 4.712 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 500613762 WXHBMMCXKTXIOL-FCHUYYIVSA-N 447.986 4.790 30 10 IJEE C=CCn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1ccc(OC)cc1 501227415 KQKJNGHYFJGUHZ-UHFFFAOYSA-N 445.504 4.827 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 508803466 XTFLIEKROGEYHU-DHIUTWEWSA-N 447.627 4.625 30 10 IJEE C=CCn1c(SC[C@@H](O)COc2ccccc2C(C)C)nnc1-c1ccccc1F 514600015 NATIABXKCGVPHE-KRWDZBQOSA-N 427.545 4.926 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 521185759 GDHNLHHWSCOLHL-UHFFFAOYSA-N 441.247 4.892 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 537668677 PCXFPKFDDUFUAK-QGZVFWFLSA-N 445.494 4.967 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 555253061 WNVDYQMMKKJHRY-OAQYLSRUSA-N 437.371 4.602 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(Br)cc2)cc1 586256933 SROKFCGQGCKMSD-UHFFFAOYSA-N 437.359 4.735 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 610766924 STNYRRXCAWENON-SFHVURJKSA-N 436.512 4.721 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 669805353 JZSXLHVINZTDFI-INIZCTEOSA-N 449.342 4.522 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 670210320 KFWYGBCQOGVXBU-KRWDZBQOSA-N 443.642 4.838 30 10 IJEE COc1c2c(cc3c1[C@H](CC(=O)/C=C\[C@@H]1C(C)=CCCC1(C)C)[N+](C)(C)CC3)OCO2 725413486 NLHLDHDELFUZNZ-XCTJSALUSA-N 426.577 4.995 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)ON=C(c1ccccc1)C(F)(F)F 751965082 HWXSGOOSVZAXBQ-MRXNPFEDSA-N 430.430 4.799 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CC(=O)OCc1cc(Cl)ccc1OCC#N 756464565 YCBOVGYUFDFSRT-UHFFFAOYSA-N 430.888 4.875 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H](C(=O)OC)c3ccccc32)c1=S 766363387 CBWDPASJEANXCQ-FQEVSTJZSA-N 434.565 4.700 30 10 IJEE COc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1C#N 775983780 PCCDYFXJBGTLKB-INIZCTEOSA-N 431.336 4.688 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1csc(Cc2ccc(Cl)cc2)n1 780176051 MGXCPMDAIVQHAB-OAQYLSRUSA-N 434.945 4.692 30 10 IJEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 784609783 VHRIJGLQISPLFV-QHCPKHFHSA-N 445.947 4.507 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 802566894 CXVWBJLHSKGLFX-RPWUZVMVSA-N 448.542 4.620 30 10 IJEE COc1ccc(NN=C(C(=O)c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 1081822560 SIPGBJRNRQJASL-UHFFFAOYSA-N 444.512 4.931 30 10 IJEE Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1N1CCOCC1 1125753525 FTJZWWGRECKITA-UHFFFAOYSA-N 427.504 4.535 30 10 IJEE COc1cc2c(cc1CNC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)O[C@@H](C)C2 1127264206 AENAHDNKBNKNKB-KRWDZBQOSA-N 428.488 4.807 30 10 IJEE C#CCOc1ccc(COC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 1127864405 POKKCSGYMWROLM-UHFFFAOYSA-N 438.483 4.917 30 10 IJEE C[C@H](Oc1ccc(Br)cc1)C(=O)OCc1cc(Br)cc(C#N)c1 1128568939 HARVNYNBAFKLPW-NSHDSACASA-N 439.103 4.594 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CCCCC2(F)F)c1 1141372310 GUHQNDJNIJNAAI-QGZVFWFLSA-N 443.519 4.844 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 1148295258 VRTYEGKSYMUJJB-IBGZPJMESA-N 434.561 4.651 30 10 IJEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1nc(C(F)(F)F)ccc1C#N 1163205224 LMMQUMWIDKQQCT-UHFFFAOYSA-N 434.462 4.893 30 10 IJEE C#Cc1ccc(CNC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1 1227621202 BOAGWQXKEKFDBY-UHFFFAOYSA-N 425.410 4.873 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CCCC1 1279399172 CIHRVEJLIKJLAQ-UHFFFAOYSA-N 447.000 4.779 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)c1cccs1 1286276909 ZQXBYJWNVZMFCL-CQSZACIVSA-N 446.418 4.543 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(CCOC)CCCCC1 1286302745 OBVQUAKYRULGDW-JOCHJYFZSA-N 438.616 4.919 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC[C@@H](C)N1CCCCC1 1286420820 SUSGFZMJGKFDPC-NOZRDPDXSA-N 431.628 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)[C@@H](C)CC 1286423624 NLAAUOIUBFPPBC-AOMKIAJQSA-N 433.383 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1CCC(OC)CC1 1286516435 DUKHTHCQLJQFRU-OGRDWSCISA-N 430.955 4.935 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)c1ccccc1 1286581630 MMFIOAZNZVJWBH-OAQYLSRUSA-N 445.615 4.658 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCC[C@H]2C)CC1 1286657289 WFGATXIYDJSBAB-IFMALSPDSA-N 437.632 4.922 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCn2ccnc2C1 1286681313 LPYBKOBBGBQMDE-GOSISDBHSA-N 439.995 4.635 30 10 IJEE C=CCCCCn1c(N2CCN(CCOc3ccccc3Cl)CC2)nnc1C(C)(C)C 1286690004 JBLQODNSTIUGOT-UHFFFAOYSA-N 446.039 4.786 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC)(CC)C1 1286782342 RURPKPQNEGRBIK-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC3CCCCC3)CC2)cc1 1286795126 WOEFNPSVXYEOFV-UHFFFAOYSA-N 437.632 4.717 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(C)(C)C)C1 1286832467 UDJNSZXHIYUNEH-PXNSSMCTSA-N 428.602 4.582 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 1290201792 PZCVEBKFLJAQIJ-AWEZNQCLSA-N 449.267 4.713 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1293754584 AQTMSYFMBGWLLK-SFHVURJKSA-N 445.972 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](CC(C)C)N(C)C 1300274988 OLINJZHWSHOXOO-BJLQDIEVSA-N 432.012 4.506 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@H](F)C1 1300322997 VYIGHRJDUVAWFW-LZWOXQAQSA-N 425.335 4.760 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1300372144 NZDXIABSQYRLIK-ROUUACIJSA-N 445.405 4.905 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CCSC 1300391084 GHRHTWAWGSOXGI-AWEZNQCLSA-N 439.398 4.838 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1300769189 BFZAIRVIKWCGDU-MDNUFGMLSA-N 438.641 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)CN1CCCCC1 1300901965 WXBKCIYCYHWMTH-NRFANRHFSA-N 447.631 4.860 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300904985 JIDOPHBRZFOUTN-MJGOQNOKSA-N 443.592 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1300907086 BXZRSILHYRSKQY-FQEVSTJZSA-N 439.604 4.995 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C)CCCC2)CC1 1301069807 GDOYEUVZUIJIQS-UHFFFAOYSA-N 426.561 4.708 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(C)CCCO2)CC1 1301070157 MHHKHURYJNTFPC-HXUWFJFHSA-N 435.341 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 1301159837 HJGOBIQTWAPHJR-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1301196842 KSALCPJQUJUXBQ-DLBZAZTESA-N 430.984 4.661 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1301207911 IPSUMIXALXCAQX-UHFFFAOYSA-N 438.576 4.520 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301214783 HDIDCHKBMRKKJF-KXBFYZLASA-N 433.478 4.559 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@H]1CC(F)(F)CO1 1301349150 GAIPFEAYNFCQGB-QGZVFWFLSA-N 432.446 4.602 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2csc(CC)n2)C1 1301546818 VEDRCEWJWMDZLM-QGZVFWFLSA-N 444.004 4.641 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1301621301 UUPJMSWTPZSLAE-UXHICEINSA-N 442.629 4.801 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CCC2CCOCC2)c1C 1304012163 BOCLSCBWDCXCRG-ICSRJNTNSA-N 425.577 4.590 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1304067346 PGPCWOUBYTXVNP-VXNXHJTFSA-N 436.596 4.809 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CC(Cc4cccc(Br)c4)C3)cc21 1311253854 XPCONTXNCTVALU-UHFFFAOYSA-N 425.330 4.691 30 10 IJEE C[C@](NC(=O)N[C@H](CO)c1ccccc1C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F 1311269808 GSBRUXRBCWWOBE-WBVHZDCISA-N 438.343 4.655 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1313769606 HLLNFAVOCTUNGX-VQTJNVASSA-N 437.588 4.560 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCSC1)[C@@H]1CC[C@H](C)C1 1316077296 IDTHUPMGCSMCDS-RCZSKKKRSA-N 439.629 4.601 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(Oc4ccccc4)cc3)cc2C1=O 1352140571 OUXQQNYBRCEVTP-QGZVFWFLSA-N 426.472 4.752 30 10 IJEE C#CCN(C(=O)c1noc2c1CC(C)(C)CC2)[C@H]1CCOc2ccc(Br)cc21 1353634151 KMGQEULCFSCNDC-KRWDZBQOSA-N 443.341 4.551 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 1355291071 YLYLMIVURGKLQC-HXUWFJFHSA-N 430.495 4.788 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCSc1nccs1 1358872421 ULECCLQOKCJCAM-JKSUJKDBSA-N 445.589 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)CCC(C)C 1358875923 YWJOUHIUTMTIJK-DCFHFQCYSA-N 447.627 4.998 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1359006820 KCFLQBPTCQULGN-AUSIDOKSSA-N 433.600 4.738 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCC[C@@H]1CC 1359014403 IDWLTTSMOGEYJB-FQEVSTJZSA-N 446.064 4.948 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359049319 MPCQTIQQQANNTK-WSTZPKSXSA-N 432.584 4.914 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC1CCCCCC1 1359066828 QWHXWKIHHTUESV-XMMPIXPASA-N 437.544 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@H]1CC=CCC1 1359104036 XDEVMBMZAFLHMT-SKPFHBQLSA-N 440.563 4.770 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](OC)c1ccccc1 1359108410 NDDVJEMBDFMAFJ-LJQANCHMSA-N 444.377 4.826 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359119663 HQBCQEBHHIKLMV-VWLOTQADSA-N 442.604 4.958 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1359146325 VEHQBJGDKFVWAZ-IBGZPJMESA-N 443.382 4.851 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1359157397 IFJRIZNVXVSNDM-CEWLAPEOSA-N 445.007 4.952 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 1359188945 XMEODDZUMMKPLW-LJQANCHMSA-N 429.609 4.761 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@H](C)CC#N 1359199312 RHGIHXCQOBGJDE-OAHLLOKOSA-N 432.366 4.811 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1359226358 DMHTVHCGHKHVLB-HXUWFJFHSA-N 434.943 4.509 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)CC 1359261784 WBKCXVIWFVXJIK-ZJCBTPCYSA-N 444.595 4.689 30 10 IJEE C=CCn1c(N(Cc2cccc(F)c2)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290340 WHBGCTQJIKOMCJ-IZAXUBKRSA-N 441.551 4.543 30 10 IJEE C=CC[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1359981696 ZHFQHRBNXQZSKE-PKTZIBPZSA-N 426.988 4.968 30 10 IJEE C=CCCn1cc(C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)nn1 1361090705 JLSVADSQOKEYTH-JOCHJYFZSA-N 439.357 4.505 30 10 IJEE CN(Cc1ccccc1)[C@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)C1CC1 1435988234 ASZDEYJLURIFKV-XMMPIXPASA-N 425.532 4.991 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(C)cc1OC 1447412661 NVKKOXBFQCFPDA-CQSZACIVSA-N 447.757 4.741 30 10 IJEE C=CC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2)C(=O)OCC 1447548349 FVVZYASKQGIMHD-NBRGKURFSA-N 430.504 4.942 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 1464389105 ZYDZHQPWDAJHLY-SJLPKXTDSA-N 436.622 4.563 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnc(C)nc1 1464810301 QVUOBNIKMXUKFX-DEOSSOPVSA-N 442.519 4.597 30 10 IJEE C=CC[C@@H](CO)CNC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1466522234 HKHHBMJONAXVGA-MRXNPFEDSA-N 441.369 4.831 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(Cl)c3ccccc23)c1 1467354420 WHQZVNIZQBHALJ-INIZCTEOSA-N 425.937 4.781 30 10 IJEE C=CCC1(CNC(=O)c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)CCCC1 1467992978 UEZYMSUHWLLQRV-UHFFFAOYSA-N 434.508 4.632 30 10 IJEE C=CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CCCCC1 1468081368 PARONDRZRYNUFA-UHFFFAOYSA-N 442.581 4.813 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)c1ccc(I)cc1 1470074648 NURBOJIVWIQKKP-PBHICJAKSA-N 425.310 4.505 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1 1472548675 FMUZRXJZNRGEPG-UHFFFAOYSA-N 431.839 4.747 30 10 IJEE C#CCN(c1nc(-c2ccccc2)ns1)[C@H]1CCOc2ccc(Br)cc21 1472697142 YMIVMQXAKJOWTK-KRWDZBQOSA-N 426.339 4.931 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 1474930606 IAJAOHCTFJPTAK-UHFFFAOYSA-N 426.881 4.625 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)CC1 1476971779 XFEVGQCDZXUGPN-UHFFFAOYSA-N 434.462 4.703 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(NC(=O)c2ccco2)c1 1477343036 FHNLWPCVYRTGAI-UHFFFAOYSA-N 435.528 4.597 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 1477661191 KOSMKFWADWWZAU-YWZLYKJASA-N 446.776 4.603 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1478272064 HTQADNMHRNBUDU-JYJNAYRXSA-N 426.401 4.960 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)C1 1505206373 FOPANRKUGLMINY-JOCHJYFZSA-N 439.629 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)OCCc2sccc21 1507527706 KSBWZEKMPDHSJC-OYHNWAKOSA-N 426.973 4.606 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(SCC)c1 1507537599 WDXYSTMJKCGYBU-MRXNPFEDSA-N 425.989 4.536 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](c2ccco2)C1 1507573227 CVXHMYUTXHGJHP-LJQANCHMSA-N 436.581 4.969 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(Cl)s1 1507645332 XOBNVYUSNWCUFJ-HNNXBMFYSA-N 441.025 4.967 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1nccs1 1507679074 QXDZIPNNBMKWLC-UHFFFAOYSA-N 434.594 4.536 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1507743465 CKPIKCSOSRKZBT-GOSISDBHSA-N 449.624 4.942 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCC(OC)CC1 1507818446 MMRVXRSKSPHGBJ-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)c2nc(C)cs2)CC1 1507877299 HIPLGLIAEQJDLK-INIZCTEOSA-N 439.585 4.687 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)c2ccc(F)cc2)CC1 1507895882 DLGIQSDCVQOSTI-SFHVURJKSA-N 430.568 4.521 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ccc(C)cc2)CC1 1507909033 OUQVCWBGPYKVBX-IBGZPJMESA-N 449.624 4.784 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1CCCNc1ccc(C(F)(F)F)cn1 1507981481 YHNXYNHFVGWGEH-UHFFFAOYSA-N 448.468 4.546 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@H](F)C1 1508000368 VLXKNWNGSIPAGX-YADHBBJMSA-N 430.531 4.851 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CCN1CCc2sccc2C1 1508019073 CCTBLESIWGJQPE-UHFFFAOYSA-N 435.641 4.756 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)C 1508020518 MUQMJRFLRCIJIH-UHFFFAOYSA-N 428.378 4.927 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC(C)(C)[C@H]1C 1508151919 QEONXYSEQZTBBT-OAHLLOKOSA-N 437.009 4.530 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1508159037 PVRYHFJGFOWQJD-PXNSSMCTSA-N 426.611 4.892 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1cn(-c2ccccc2Cl)nn1 1519517509 JFVZUVAMLDDDRB-UHFFFAOYSA-N 437.805 4.861 30 10 IJEE C#Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 1524103361 YCZNQILEZKXOAW-UHFFFAOYSA-N 438.405 4.957 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(CC(C)C)c2-c2ccccc2)cc(OC)c1OC 1535674457 NYGCQKMYLQVSCR-UHFFFAOYSA-N 433.552 4.882 30 10 IJEE C#CCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@H]1CCCc2ccccc21 1536278528 AIYFKUQMOCMBQD-DEOSSOPVSA-N 429.516 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCCSC1 1538986885 OXSHGHRBODXQHN-RBUKOAKNSA-N 436.581 4.718 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(F)(F)F)CC1 1539049327 LCFJRTNIXDRGJL-UHFFFAOYSA-N 444.299 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCc1ccccc1 1539350383 JUGABCUYHFCXDK-LJQANCHMSA-N 434.609 4.808 30 10 IJEE CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1539387139 HABWVLDZMRYUNX-OAQYLSRUSA-N 435.524 4.790 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CCCO)CC1 1539622367 WSHDXBYDJHTAPR-IRLDBZIGSA-N 445.007 4.569 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2CCCC[C@H]2C1 1539817077 IVDRDOVYYKIHRS-FQEVSTJZSA-N 444.023 4.716 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1539820496 HDOFRHNEGZMHMI-CYBMUJFWSA-N 445.778 4.920 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](CC(C)C)N(C)C)CC1 1539859093 KDLRSXSXQBNGDI-QFIPXVFZSA-N 425.621 4.552 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnc(C)s2)CC1 1539875710 ZVHXJQUVWCYKTE-HNNXBMFYSA-N 427.549 4.773 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1539908778 ACFVUOUPUUIFDY-UHFFFAOYSA-N 440.588 4.678 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnn(C)c1 1539981545 JWJZIKCQAUKCNJ-UHFFFAOYSA-N 429.572 4.689 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](OC)C1 1540029244 NYYKLSJEEFVGMQ-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1540158626 NCXXAJVVVAIITH-NFBKMPQASA-N 428.964 4.505 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1540168678 TXIXZSKYNPAHKW-RBZQAINGSA-N 436.600 4.827 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)N(C)C 1540185540 SVDNYJICGZPCFJ-MRXNPFEDSA-N 431.943 4.516 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C 1541410643 HROQYVWDVZQPNR-NZQKXSOJSA-N 439.604 4.662 30 10 IJEE CCCN1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)C1 1547180163 ASWREMWLPPJCHV-QZTJIDSGSA-N 447.052 4.694 30 10 IJEE COC1(Cn2c(Cc3ccccc3F)nnc2N2CCC(CC#N)CC2)CCC(C)CC1 1554719968 DOYOESOAVSNIHQ-UHFFFAOYSA-N 439.579 4.733 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@]3(C2)CC3(F)F)nnc1-c1ccc(Cl)cc1 1557330474 VHGKVILKIXQNEF-IBGZPJMESA-N 438.931 4.524 30 10 IJEE CCCN(c1cc(C)c(C#N)c2nc3ccccc3n12)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1559098901 GUYXFGPZGAMYCW-SFHVURJKSA-N 433.556 4.893 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2cc(C)cc(NC(=O)OC(C)(C)C)c2)cc1 1562235859 UXAXZUZFAZHZDR-UHFFFAOYSA-N 438.528 4.580 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc2c(c1F)CCNC2=O)c1ccc(C(F)(F)F)cc1 1562788730 KBSIHZFHBWRKBO-QGZVFWFLSA-N 435.421 4.959 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21)c1ccc(F)c(F)c1 1564597628 YKTHTZRXRYLWGU-JOCLIGHLSA-N 433.296 4.982 30 10 IJEE C#C[C@@H](NC(=O)CSc1nccn1-c1cc(C)ccc1C)c1ccc(Cl)cc1F 1568898860 WOGQNJNWDCINTE-LJQANCHMSA-N 427.932 4.864 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1583436431 DOLQAIQAXZASFK-KRWDZBQOSA-N 434.989 4.635 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccc(Cl)cc1F 1584734024 YEJZIJKSMZJYPX-KRWDZBQOSA-N 439.771 4.927 30 10 IJEE CCN(C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)[C@H](C)C#N 1587000439 GLVVWJHOVPQBTN-LLVKDONJSA-N 444.379 4.773 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)CCc1cc(Br)c(Br)s1 1587025547 MLFYXBHEUVWBRN-UHFFFAOYSA-N 441.188 4.868 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1sccc1C 1587936940 CGSQRUHLDPDRNU-UHFFFAOYSA-N 435.778 4.849 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCc1sc(C)nc1C 1588185531 IEMWJZAUHZGMPG-UHFFFAOYSA-N 443.620 4.527 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C1CC(C(C)(C)C)C1 1588581190 JULNPJOODYTQPV-UHFFFAOYSA-N 445.405 4.791 30 10 IJEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCCC(F)(F)C1 1588629051 VFYSTIXAFUOPOC-SFHVURJKSA-N 441.526 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CC)C1 1589494447 LJAMCNMWOSPRRU-MDZRGWNJSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cccc(OC(F)F)c1 1589528017 CHHGGPTUODHNQG-UYAOXDASSA-N 432.515 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CN3CCC(C)CC3)C2)nnc1C(C)(C)C 1589577152 ADQSBTFWEMLGFP-ZRBLBEILSA-N 443.680 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC(OC)CC1 1589626309 VXSDPKHNMSWAMJ-UHFFFAOYSA-N 446.039 4.890 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCCC(F)(F)C2)CC1 1594194876 XYVPGMJRUBAYIU-MJGOQNOKSA-N 426.552 4.620 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1594497651 LFHLYPIZQNUUDJ-CTNGQTDRSA-N 426.605 4.850 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1594510820 ASMDFMCPWUTIRR-UHFFFAOYSA-N 426.580 4.546 30 10 IJEE C=CC[C@H](Cn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1C(C)(C)C)c1ccccc1 1594553171 XOGHSTCENURLJZ-JOCHJYFZSA-N 448.615 4.554 30 10 IJEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CCC(C)C)CC1)C1CC1 1595038100 OTMYPDLBXDILPZ-UHFFFAOYSA-N 432.616 4.730 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1C[C@H](F)C1)C1CC1 1595055025 XFPOWCGLFNXRAI-GUDVDZBRSA-N 447.599 4.686 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](C)c2ccccc2)C1 1595700681 RASBCPXJXYJFOV-WIYYLYMNSA-N 437.975 4.969 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CC[C@H](c2ccccc2OC)C1 1595895264 IQOLANRVKLZDSA-FQEVSTJZSA-N 426.630 4.933 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(CCCc3ccccc3)nnc2N(C)C[C@@H](C)C#N)C1 1596839997 AOXITKZUOJDKCK-VXKWHMMOSA-N 436.648 4.560 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc(-c3nc4ccc(C)nc4[nH]3)c2)cc(OC)c1OC 1597582245 ISJPANLIDNBBFN-UHFFFAOYSA-N 428.492 4.931 30 10 IJEE N#Cc1cc(NC(=O)c2cc(Br)cc(Cl)c2O)ccc1OC(F)(F)F 1611209579 GAFMGBCODBALQO-UHFFFAOYSA-N 435.583 4.831 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)O[C@H](C)C2)nc2sc(-c3ccccc3)cc2c1=O 1613425880 DTIHGHXRQREELY-CALCHBBNSA-N 441.622 4.512 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C(C)(C)C)cs1)C1CCC1 1617779947 GNJUOWSERJODDF-UHFFFAOYSA-N 436.585 4.520 30 10 IJEE C=C[C@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccccc1 1620922008 NRDKHAQUWKYAEW-NZQKXSOJSA-N 441.499 4.544 30 10 IJEE CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 1622956842 CQTDEQOAGPVGJH-MJGOQNOKSA-N 436.512 4.729 30 10 IJEE C[C@@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccc(C#N)c(Br)c3)cc2)C1 1624633646 BCOBOXPZKUAOLK-MRXNPFEDSA-N 441.373 4.874 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc2cc(Cl)ccc2s1 1626799689 ZGTDYALBCNMIJB-ZDUSSCGKSA-N 430.357 4.602 30 10 IJEE CN1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 1627066975 HUYJYONPAMJFJF-DEOSSOPVSA-N 441.600 4.849 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 1627412650 OTCLNIBHHPRCDP-HXUWFJFHSA-N 430.504 4.788 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CC)C2CC2)c1 1629551139 GWRVPLZOPBVNDF-NRFANRHFSA-N 432.973 4.640 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 1629831579 CJJBJQMGRQZWTN-IFMALSPDSA-N 435.653 4.739 30 10 IJEE C[C@@H](CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)CC(F)(F)F 1630142123 AVHPXSHGXGMTQQ-CQSZACIVSA-N 435.471 4.607 30 10 IJEE COc1ccccc1OC[C@@H](C)CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1630898493 ALPINCKSRYRURK-KRWDZBQOSA-N 434.467 4.943 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC)c1ccccc1 1633305862 KSTGCRBMSXPDKZ-FQEVSTJZSA-N 448.567 4.858 30 10 IJEE CN(C)C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 1635073106 DFVPNJLWVOXNSA-DEOSSOPVSA-N 433.939 4.823 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1636098182 BKCFREQQJYMEAW-BPYKYCOYSA-N 427.589 4.653 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 1636893191 YVNKZRILJKDDHX-HLAWJBBLSA-N 428.577 4.520 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCC(C)(C)C2)c1 1638624068 NLIPKANLXDLAJQ-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1639869505 NJEYIDUTTCYHMA-SFTDATJTSA-N 444.575 4.813 30 10 IJEE C=CCn1c(S[C@@H](C)c2cc(C)c(C(=O)OC)o2)nc2sc3c(c2c1=O)CCC3 1643463950 DCNUQEDDVSFTBG-LBPRGKRZSA-N 430.551 4.674 30 10 IJEE C=CCSc1ccccc1C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 1648830969 PPVUBOBUORYAHT-INIZCTEOSA-N 426.365 4.783 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H](C)Cc1cc(C)nn1-c1ccccc1 1650802917 QNFHFYSZFPGHRN-KRWDZBQOSA-N 438.369 4.676 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@H]2CCC[C@H]2c2ccccc2)n(Cc2ccco2)c1C 1654691018 BJRQHSAWSALFMJ-UPVQGACJSA-N 430.552 4.825 30 10 IJEE C#CCN(Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1659177495 JJRLTLDTDAZQKG-LJQANCHMSA-N 435.312 4.752 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Br 1659897324 MOGZLZYNRBTCPV-UHFFFAOYSA-N 428.779 4.663 30 10 IJEE C#C[C@H](NC1CCN(C(=O)c2ccc(Br)cc2C)CC1)c1ccc(Cl)cc1 1664896638 MIMMJLQMDYKKLY-NRFANRHFSA-N 445.788 4.980 30 10 IJEE C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 1664991285 GXEFAHMXUCMBKT-GOSISDBHSA-N 428.863 4.930 30 10 IJEE C=CCN(CCOC)C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1665596116 SSXMETDEJBMYBU-HSZRJFAPSA-N 441.641 4.815 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)cc(OC)c1OC 1667620823 OTYUNWSJEYTOFQ-UHFFFAOYSA-N 432.904 4.584 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](CCc4ccccc4)C3)cc2)nc1 1668482127 AOYDFWBRBZSRKQ-QHCPKHFHSA-N 428.492 4.611 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](c1cccc(OC)c1)c1cc(F)ccc1OC 1670327418 LWUUJYBOXBMFOH-XMMPIXPASA-N 434.467 4.766 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)c1ccccc1 1671801843 ZHJDPUNKJPZMMK-HSZRJFAPSA-N 447.560 4.990 30 10 IJEE CCCc1c(NC(=O)Nc2cc(C)c(N(C)C)cc2C#N)cnn1-c1cccc(C#N)c1 1672050501 AOYHICITEHZPOT-UHFFFAOYSA-N 427.512 4.587 30 10 IJEE COc1ccc(NC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1C#N 1672501438 AXRFKYGHHBFJLE-KRWDZBQOSA-N 432.343 4.728 30 10 IJEE CO[C@H]1COCC[C@@H]1CNC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1672876568 HDCGFBBMARVBEZ-KUHUBIRLSA-N 431.945 4.536 30 10 IJEE C=CCN1CCC(NC(=O)NC2(c3ccc(C)cc3Br)CCCCC2)CC1 1677128355 FUZDIMDSIRIMOD-UHFFFAOYSA-N 434.422 4.867 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)c1ccc(Br)cc1 1677692078 SGXYNOGVBRPGAG-FGZHOGPDSA-N 440.385 4.650 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1681034443 LSRBSDUMMOIEAP-XMMPIXPASA-N 449.595 4.961 30 10 IJEE C#CCN(C(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1683477303 POIYDQRSNKTECQ-XXBNENTESA-N 439.600 4.744 30 10 IJEE C=CCCC1(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2C)CCCC1 1683578167 USTZDNZKYBGFSU-UHFFFAOYSA-N 436.394 4.912 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccc(OC)c1)C1CCC(O)CC1)c1ccc(Cl)cc1F 1683689841 UTZDKAZPUBSBBG-MTNXOHHFSA-N 444.934 4.677 30 10 IJEE C=CCC[C@@H](NC(=O)N1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1)c1ccccc1 1685799198 QCWMQDHERWILSO-ZPZUNKDASA-N 427.589 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C1CCCCC1)N(C)C 1689831506 LYHAISNLAXANKS-XUZZJYLKSA-N 433.644 4.717 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(COC(C)(C)C)on1 1689839000 BLWBLASYPLSBBE-CQSZACIVSA-N 445.926 4.547 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(C(C)(C)C)no1 1690006290 MRACCMLJSCWHFB-QGZVFWFLSA-N 447.608 4.538 30 10 IJEE C#CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690161333 AYYAPVQHHAIOFR-QAPCUYQASA-N 444.576 4.973 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(Cl)s1 1690177173 MDTRKBYSBZVMEZ-UHFFFAOYSA-N 434.993 4.726 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1690247504 BMCHCBCTQHDJFM-DENIHFKCSA-N 446.517 4.857 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C2CCC2)CC1 1690337145 FJMUAFSDHUDIBE-UHFFFAOYSA-N 444.023 4.797 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)s2)CC1 1690398581 AGCPOYTXLHYEEB-UHFFFAOYSA-N 446.418 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690422771 ZTGOGMCFLZTYIX-QAPCUYQASA-N 433.478 4.575 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccco2)C1 1690472625 ROAZRINVYUUZQD-OAHLLOKOSA-N 430.350 4.599 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690492160 OPVHDUZSVRNIAN-BEFAXECRSA-N 439.387 4.991 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC[C@@H](C)C1 1690516467 KIVRUPMYHVFZES-GOSISDBHSA-N 436.629 4.731 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@@H]1C)C1CC1 1690549462 DEOWSVJJPBOVTN-FQEVSTJZSA-N 437.632 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCN(C)C1CCCCC1 1690591906 ZHSNUSRQDCVVIC-UHFFFAOYSA-N 432.616 4.880 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2c(C)cccc2C)C1 1690692104 RCRVFTRDGISSOA-HXUWFJFHSA-N 437.975 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1cccc(Cl)c1 1705708228 ZSRHLEQGAOCGML-FTRWYGJKSA-N 442.951 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1705763708 BNSLQQZHOPNCKP-QHCPKHFHSA-N 426.948 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1705790089 IWQUSAWKQJYODI-QFIPXVFZSA-N 432.616 4.976 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCOCC1 1705800634 FBYUPDXFRNASIF-UHFFFAOYSA-N 439.785 4.944 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1705818647 QPSSNCGBAYCPQJ-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705834641 PDUVUFNFWLPBEY-UZKOGDIHSA-N 425.621 4.778 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOC(C)(C)C)C1 1705920193 SDIMZFKWVZRNNN-IBGZPJMESA-N 444.645 4.872 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)c(C)o1 1707043731 GRALHRZQDQXEEG-SSOJOUAXSA-N 445.523 4.725 30 10 IJEE CC1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)CC1 1708139171 ACFCDFFSESIZRL-UHFFFAOYSA-N 441.023 4.851 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCSC1 1711026098 FACBJOWPUBIVAC-IEBWSBKVSA-N 431.556 4.974 30 10 IJEE COC1(Cn2c(COc3cccc(C)c3)nnc2N2CCC(C#N)CC2)CCC(C)CC1 1711631531 BADKHFFPKHYBOD-UHFFFAOYSA-N 437.588 4.501 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1nc2c(s1)CCCC2 1722279158 AFEZFXFRESJMLS-CQSZACIVSA-N 443.979 4.774 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC2(CCCCC2)O1 1722283608 SXWSRODOZNXCJZ-PKOBYXMFSA-N 442.991 4.947 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1722317639 HQSMTENTTQGCLO-ADSBAMQRSA-N 426.630 4.749 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 1722320576 CLRVMMNXDGEHPP-UHFFFAOYSA-N 430.980 4.567 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCCC1(C)C 1722346834 ARHQXHPTVNNCFO-MRXNPFEDSA-N 431.378 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1(OCC)CCCC1 1722406821 WHMORXGDDVKMPD-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CCCO)CC1 1722454253 ASLLIJMLDNZOLX-UHFFFAOYSA-N 440.657 4.598 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1722555750 GWHFGWLLHOWLFL-KRWDZBQOSA-N 437.371 4.516 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1722564889 UDGMOVPLSYVWQT-PCCBWWKXSA-N 440.588 4.524 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1722579733 JSNCXMBGKVPIKC-NRFANRHFSA-N 445.652 4.963 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](CC(N)=O)C1 1722596960 CKPOBPQBBIVPNH-GOSISDBHSA-N 441.645 4.724 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1722613332 FFIWCMHTJHIMEW-SFHVURJKSA-N 438.601 4.638 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]1C1CCC1 1722624674 FCPNKIKBWYELQE-HXUWFJFHSA-N 430.980 4.969 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@H]1N(C)CCCC1(C)C 1722655029 BVYAXENMVNLURL-REWPJTCUSA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1722664144 RKPPYJUNKVHJTG-KRWDZBQOSA-N 441.567 4.615 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1 1722691876 OQASPQRULQWEOT-UHFFFAOYSA-N 439.991 4.938 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1722736198 XNMQBPKQGBXGQQ-OAQYLSRUSA-N 437.613 4.582 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1722739152 ARFPHLHMVSVCFM-CQSZACIVSA-N 443.564 4.934 30 10 IJEE CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1723236688 BAHORSIGYOLPHQ-NFBKMPQASA-N 442.007 4.713 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccsc1)N(C)C 1723772881 BQKKIVBCBLMLJC-DNVCBOLYSA-N 428.993 4.701 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1727708624 CNDKBXXZJNLRJS-YRPNKDGESA-N 444.624 4.915 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCN(C(C)C)C(C)C 1740545362 MFYXHYDJVDWDAH-GOSISDBHSA-N 446.437 4.674 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)c1cc(OC)cc(OC)c1 1740579135 PEGNEUHACWNKIL-FGZHOGPDSA-N 440.588 4.785 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCCOC1 1740581546 ZZMCEAHPZCRDFN-UXHICEINSA-N 445.007 4.965 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740651682 KHTFDEONMUZCBY-DHIUTWEWSA-N 443.595 4.509 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@H]1C 1740661771 JJUVBKQABJLBDS-UXHICEINSA-N 444.023 4.796 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(OC)CCCCC1 1740676574 HJWWYWMEWIRIAH-QFIPXVFZSA-N 440.563 4.648 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCCC1(C)C 1740677738 OTRPHUZNOYTEAV-RUZDIDTESA-N 436.531 4.567 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740678655 GRUGCJXATCOUMX-JHDGKUDLSA-N 438.591 4.993 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cccs1 1740711778 VJRDTRKSIIDPBL-UHFFFAOYSA-N 433.606 4.866 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1740779415 FUMNQWXTTBMNKA-LJQANCHMSA-N 445.405 4.988 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740783337 ALPRYFOEJZRYTF-UWJYYQICSA-N 432.996 4.689 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2cccnc2)CC1 1740833617 UQUIEGUADJDCNH-HXUWFJFHSA-N 447.583 4.857 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740869514 PSGRAOAEGQKPLV-IBGZPJMESA-N 428.943 4.951 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1ccsc1)N(C)C 1740893718 UBGBAYJTQTYKCU-SFHVURJKSA-N 433.528 4.533 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCS1 1740938679 KNPOKJWXYIMHDN-QGZVFWFLSA-N 437.009 4.532 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1740939514 CTPGQDDSQNQOJI-UHFFFAOYSA-N 429.565 4.525 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2sccc2Br)C1 1740979248 IFKIDDGDNVQQAE-OAHLLOKOSA-N 437.407 4.589 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1740996008 DAAWSWVIPXXPLC-SFHVURJKSA-N 427.618 4.566 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1748721220 FAIRMENSBSBTEM-GBXCKJPGSA-N 429.568 4.664 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCSC1 1748951472 VYWMWMGCAQEJOM-HNNXBMFYSA-N 447.029 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CCC)CC1 1749079873 BBJPFXIQEMVGQY-YADARESESA-N 441.620 4.923 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C(C)C)C1 1749091928 ICVFACGXKZHSPH-QGZVFWFLSA-N 449.393 4.743 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1749336065 XIVKDIZXKXQYIU-NHCUHLMSSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749376844 GNWNOWKCTHRHNA-OAQYLSRUSA-N 442.526 4.620 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1 1749532637 VDXQNOZQVDSHCQ-NHCUHLMSSA-N 441.526 4.672 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(C[S@@](C)=O)cc1 1749544171 BNLAZDNMMNNZPX-GDLZYMKVSA-N 428.627 4.582 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1Cc1nc(C)c(C)s1 1749584620 PNTBSWJEWGFLKI-UHFFFAOYSA-N 430.581 4.697 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1749754030 DZEOSKYCSRJTCC-UHFFFAOYSA-N 441.645 4.855 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1749754314 KBRCABGCOJJNHP-PZJWPPBQSA-N 430.593 4.647 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1749755530 IQMFQJJMXGTWDS-UHFFFAOYSA-N 443.661 4.786 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(F)c1 1760103711 KSFABOAFUASAHV-CYBMUJFWSA-N 433.350 4.609 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCN(C(C)C)C1 1760106041 JCTDLNCNDYFWNP-IAGOWNOFSA-N 434.415 4.830 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC(C)(C)C1 1760148679 IXFVTNPBLHBOPZ-UHFFFAOYSA-N 437.382 4.592 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(OC)c(F)c1 1760173355 SAXRZUBPQQWBJH-UHFFFAOYSA-N 438.572 4.735 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnc(C(C)(C)C)s1 1760229294 LUCNIWUYMLQTDO-UHFFFAOYSA-N 449.411 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCN(CC)CC 1760299150 JJTAXRLSHOGFPW-HSZRJFAPSA-N 446.064 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1sc(C)nc1C 1760334281 YIAOKHIAVXFSDL-UHFFFAOYSA-N 433.585 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)CN1CCCCC1 1760340131 KYQINDCGOMIMRH-BHDDXSALSA-N 431.669 4.721 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C2CC2)C1 1760370681 AENHOTSVAXEGHH-HNNXBMFYSA-N 437.769 4.705 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)CC1 1760412095 IAQBGBILPJJKDR-OAQYLSRUSA-N 427.568 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@@H](COC)C1 1760416154 VQFOWMRDPLAXQZ-LJQANCHMSA-N 430.568 4.851 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](COC)C1)c1ccccc1 1760418061 MEZQXPYZECHNQN-FYYLOGMGSA-N 431.584 4.871 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1cccc(OCC(F)(F)F)c1 1760493165 VGLBVBCVNZPTKV-UHFFFAOYSA-N 429.446 4.508 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cccn2)C1 1761542361 GJTQTJADTFDXRY-OAQYLSRUSA-N 444.370 4.669 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1762878739 BQPCIOSZOFOURD-PQNGQFLHSA-N 434.632 4.810 30 10 IJEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1767328488 GCEFLBLUHRHQPT-VQTJNVASSA-N 427.618 4.742 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)c1 1859036570 MHLAFIOEQIYLOC-SDNWHVSQSA-N 440.499 4.894 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862415401 WLIOFKUGVIKYFP-QFIPXVFZSA-N 440.490 4.942 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1Cl 1862436234 OKQBRPATKUUFMK-IBGZPJMESA-N 426.856 4.769 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)c1 1862458799 VTXWJAPZNTZZKL-HXUWFJFHSA-N 431.410 4.633 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862533746 KXXLKNCIZFMVNV-XMMPIXPASA-N 445.563 4.650 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)OC)cc1 1862585720 CCYCGEBGGVJJMM-GOSISDBHSA-N 446.286 4.544 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862586644 YOVQUZUAHHDJHK-GOSISDBHSA-N 448.302 4.767 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862628453 YYFXXILLRUSUCL-FCORRRHLSA-N 449.503 4.581 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(F)c2)cc1 1862663785 UJQKJOZTWXJKFD-HSZRJFAPSA-N 447.510 4.814 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCC2)cc(Cl)c1O 1862680476 CKXGZWHZRHUBJQ-IBGZPJMESA-N 445.874 4.714 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862691527 ORTKJQQGARNPCS-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862702485 DGCQETLINBOTSV-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)c1 1862749218 SJOGNTQYYNGKSD-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863029632 RSYUIXSVKVBBDK-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCC(C)C)cc2)=C(c2ccccc2Cl)C1=O 1863447149 NKSAUHSPPFKDGX-UHFFFAOYSA-N 438.911 4.531 30 10 IJEE CC[C@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867013101 ILGIIEDJNJOGMK-BVAGGSTKSA-N 433.552 4.764 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 1867121229 DXHDIARCGGDMGC-VWLOTQADSA-N 425.532 4.556 30 10 IJEE CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867868150 UGHHZWSJJUIIBQ-VXKWHMMOSA-N 437.609 4.525 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)COc2cc(Cl)ccc2Cl)cc1 1870105700 DZZGUKVWJXEECM-UHFFFAOYSA-N 444.322 4.646 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870302249 JSMCMYCPDCARCM-UHFFFAOYSA-N 443.572 4.569 30 10 IJEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870810450 CXMAOZNHWKYUDT-UHFFFAOYSA-N 434.964 4.894 30 10 IJEE C=CCOc1cn(CCCn2ccnc2)c(CNc2cc(Cl)cc(Cl)c2)cc1=O 1870813998 PGPPQCJBVORUMM-UHFFFAOYSA-N 433.339 4.619 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@H]3COc5ccccc5O3)CO4)C2=O)cc1 1871352741 ANZHXWXVQFZEFN-AXKQXYKKSA-N 441.483 4.603 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)c1OC 1871363372 PZULAWVNEJLHLF-NVNXTCNLSA-N 443.666 4.596 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(OC)cc1)C2=O 1871394169 IOLYRPYQMAJJBP-JLPGSUDCSA-N 444.531 4.785 30 10 IJEE CCn1cc(/C=C2\Oc3c(CN4C[C@H](C)O[C@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 1871394981 AWXPANBDUMLNCS-GLUYKBMMSA-N 446.547 4.901 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625393 OQBYYOPKJZGJRB-UHFFFAOYSA-N 438.624 4.734 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N(C)CCO)n1 1871665264 OTQYVCGSUPNUQP-UHFFFAOYSA-N 449.043 4.980 30 10 IJEE CCCCCCCCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871682765 KOAADBILPFBNAJ-UHFFFAOYSA-N 432.563 4.746 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 1872505376 RGAABYZDGLMXAV-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1873609533 GLWBKSPTNRPOJJ-UHFFFAOYSA-N 441.535 4.841 30 10 IJEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874247331 YHALPTAVHHIHFS-XIEYBQDHSA-N 435.597 4.824 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccnc1 1874289235 VBVIBOGDOFBHHR-VULFUBBASA-N 449.511 4.574 30 10 IJEE CCCOc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SC)cc1OCC 1874352367 GXEBPJSPRSFFBR-BUVRLJJBSA-N 440.569 4.787 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(C)c2)o1 1874438198 OVXRPBJMEKPUFC-YDZHTSKRSA-N 426.542 4.729 30 10 IJEE COc1cccc(/C=N/n2c(SC)nnc2C(F)(F)F)c1OCc1cccc(C)c1 1874459045 UQSPPKMHIZWNFE-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccc1Cl 1874484989 YKGVMLZIRSDBNC-YDZHTSKRSA-N 434.009 4.652 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(OC)c1 1874502556 NNEMYCHEFRYASO-AFUMVMLFSA-N 448.548 4.769 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccc(CC)cc1 1874503802 AOXQRYDPOOAKMY-PCLIKHOPSA-N 435.597 4.968 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2ccccc2F)nnc1C(C)C 1874513616 ICAFQHADIINWLA-WYMPLXKRSA-N 444.532 4.741 30 10 IJEE CC(C)c1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874513865 UDZITKKHNUTKQA-UFFVCSGVSA-N 431.905 4.843 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(C)cc2C)nnc1C(C)C 1874517350 QOGCCANVKXNYPE-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1c[nH]c2ccccc12 1874518020 WXYTXZPXUIRPQS-VULFUBBASA-N 444.564 4.812 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1nccs1 1874614168 IOXVDLPRKFFAES-BQYQJAHWSA-N 428.897 4.719 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1875146409 SVPOQFHGTZQGDV-QPJJXVBHSA-N 449.390 4.620 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CC3)c(OC)c2)cc1Cl 1875173642 RZCOLRGFGHRBDO-VMPITWQZSA-N 446.883 4.586 30 10 IJEE N#CCC1CCN(C(=O)c2ccc(C3CCN(C(=O)OCc4ccccc4)CC3)cc2)CC1 1892360261 RRRUJIKNUSZYFX-UHFFFAOYSA-N 445.563 4.969 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912145088 ZFKUFERYKLVPEF-RTWAWAEBSA-N 434.541 4.607 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930841195 TZBJGIGHQCZDTG-YZGWKJHDSA-N 429.561 4.961 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2028183097 KXLYVCZJROCJPT-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(C)(C)C)CN(CCCB2OC(C)(C)C(C)(C)O2)C1 2046173013 WKJPPNVSNOVAHT-OALUTQOASA-N 438.462 4.978 30 10 IJEE Cn1cnc(Cl)c1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 2054882232 XMFNGJQDDRCUOC-ZDUSSCGKSA-N 425.714 4.842 30 10 IJEE Cc1ccc(F)c(Cn2nc(C(F)(F)F)c(C#N)c2Br)c1Br 2080324204 LADYQJGXUNWUNS-UHFFFAOYSA-N 441.020 4.794 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2124522664 WDOZGVNWGBCSAO-OAHLLOKOSA-N 448.344 4.871 30 10 IJEE Cc1cc(C#N)cc(NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1 2124695966 AMGRYQNYYBOGBZ-SANMLTNESA-N 449.551 4.649 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)nc(CCC)n1 2137397505 RLTSXALBCCAMLM-IBGZPJMESA-N 428.371 4.678 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 2145541423 MMTHSFMWESOINK-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](Nc3cc(Br)cc(F)c3C#N)CCC[C@H]2C1 2163687626 FVJYFHOFVNSMTL-MJEQTWJJSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)C(=O)Nc1ccc(Br)cc1C#N 2181097854 HMEZENBBAXYPBJ-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2ccc(Br)cc2C#N)CC1 2181135004 NAKPTKMMYWMSMT-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)cc2Br)C1 2181148367 YDLUJALCZOELHY-ZFWWWQNUSA-N 436.350 4.733 30 10 IJEE CN[C@H](C#Cc1ccc(Cl)cc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2216975119 VCYSJVHAYDKFTC-SXSPYAJSSA-N 442.987 4.778 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(CCC(F)(F)F)Cc3ccccc3)cs2)OC1(C)C 2247864051 ZLWPJICPCSKWDS-UHFFFAOYSA-N 439.308 4.642 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2255615335 KDCLTIPYBIDFOA-QGTPRVQTSA-N 430.354 4.693 30 10 IJEE C#CCN1C(=O)SC(=Cc2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)C1=O 2293983732 UFAHVXATRFMFLS-UHFFFAOYSA-N 443.480 4.787 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1[C@@H](O)C#Cc1ccc(Br)cc1 2296277152 OVRJHOAZWRNSHK-OALUTQOASA-N 434.374 4.731 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2296289919 XBNCMPMEQYJKEN-YJBOKZPZSA-N 449.311 4.624 30 10 IJEE O=C1C[C@H](c2coc3ccccc3c2=O)c2c(ccc3c2OC(=Cc2ccccc2)C3=O)O1 2297596011 GOUKXHVVFNOEDT-GOSISDBHSA-N 436.419 4.850 30 10 IJEE COc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 2314477319 FFOYBHOIJQCWDR-SANMLTNESA-N 439.511 4.916 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccccc1OC(C)C 2320964799 UFYNNAKUSQDEQZ-UHFFFAOYSA-N 437.569 4.549 30 10 IJEE Cc1c(OC(=O)c2ccc(Br)cc2)ccc2c1OC(=Cc1ccncc1)C2=O 2322708321 PUYYMHYMVWGOMJ-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2323178156 PBCPKMANQVECOM-UHFFFAOYSA-N 444.439 4.796 30 10 IJEE O=C(C=Cc1ccc(OCc2ccccc2F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 2324041633 STAGQHSXJVNOMI-UHFFFAOYSA-N 435.407 4.980 30 10 IJEE COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2OC)o1 2324124228 HSGNTVJUNLHVSX-UHFFFAOYSA-N 440.423 4.698 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2C)OC(=Cc2ccccc2)C3=O)s1 2324804052 VLLXKSROVHOENL-QGZVFWFLSA-N 449.532 4.821 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(OC)c(OC)c1)C2=O 2325044815 RKZGVHBJWDUQQB-UHFFFAOYSA-N 440.492 4.741 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2ccccc2OC)nnc1SCCC 2325424711 SNLAZOFNAZIRLT-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3c(F)cccc3F)ccc2C1=O 2325507313 XHEUTNUJMBBBLH-UHFFFAOYSA-N 437.398 4.607 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)c(OCC)c1 2326238648 JXQWAQCGFHNEGK-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2327649243 IFIDVNCYRDAEFW-UHFFFAOYSA-N 443.916 4.969 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc[nH]1 2328261607 SXDSZVZFIDHDHF-UHFFFAOYSA-N 433.537 4.677 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1ccc(C(F)(F)F)cc1 2330132850 AGTHPNRFABPAMJ-HNNXBMFYSA-N 434.487 4.805 30 10 IJEE O=C(Cc1cccs1)Oc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2331030156 AHEYWBMGEWCDGH-UHFFFAOYSA-N 438.417 4.609 30 10 IJEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)c1cscc1Br 2337487742 DDFGQJXZAWIDNB-UHFFFAOYSA-N 426.185 4.693 30 10 IJEE CC[C@H](N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338515716 GAWGKTHNOCRMPZ-ZPZUNKDASA-N 434.433 4.690 30 10 IJEE N#Cc1ccnc(OCc2cc(I)ccc2Br)c1Cl 2341776777 RGCNQWADHNCIFB-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](Nc1ccc(C#N)c(Br)c1F)[C@H]2F 2358237645 MQMLHCQQBYTUGR-OEYIWLLWSA-N 442.304 4.750 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CCN(Cc4ccccc4)C4(CCC4)C3)nc2)OC1(C)C 2365103931 DPXNYKWRLHWELM-DTQAZKPQSA-N 445.416 4.971 30 10 IJEE CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)CC1 41514991 JQKVFDSGHCSLMN-ITYLOYPMSA-N 440.543 4.813 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl 102527196 KRTZTSBBFUMAHJ-LAFOYAEKSA-N 434.319 4.760 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccc(Cl)cc2)C2CC2)n(Cc2ccco2)c1C 108128524 CZKGHGYTICVHQJ-UHFFFAOYSA-N 436.943 4.874 30 10 IJEE C#CCOc1ccc(CCNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 109730969 CXBZHCNVGUJQHW-UHFFFAOYSA-N 444.478 4.742 30 10 IJEE CCOc1cc(/C=N\Nc2cnn(C)c(=O)c2Cl)ccc1OCc1cccc(Cl)c1 169894518 VVSFTHMAWFHCCX-MYKKPKGFSA-N 447.322 4.511 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 169930862 PTNBPNQGOMZWHK-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2OC)cc1 169945602 DMEUBTSOWYXJHL-DEOSSOPVSA-N 438.483 4.912 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(C)c2)c1 169966115 IXMHBRIJTAQABE-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccnc2)cc1Cl 170009051 KEIGVEUGVAYRKH-NRFANRHFSA-N 448.862 4.555 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 170150085 JRMGAYPXZQWJAL-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)s1 170188693 HQONYPBPKYOIHE-QGZVFWFLSA-N 425.897 4.591 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccncc1)c1cc2ccccc2o1 170212432 FCRSXUZLUIZCOV-QFIPXVFZSA-N 428.419 4.745 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C2CCCC2)c1 170218843 JMUFDJJMCCJXQB-UPCLLVRISA-N 447.531 4.930 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccco2)ccc1OCC(C)C 170280787 VLQJJTFXHSCGBB-QFIPXVFZSA-N 441.524 4.626 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccc(F)cc4)[C@H]3c3ccco3)ccc2O1 170296874 VUNFVQPNWBZOLA-WNSKOXEYSA-N 447.462 4.563 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)o1 170306749 UEXXFTFLRIYJRK-PGRDOPGGSA-N 437.536 4.951 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccccc2F)cc1Cl 170381181 NIIQUNAOLGAOMG-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 170446434 ROESAHFRXCUSGP-QHCPKHFHSA-N 446.503 4.523 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 197708255 CUOBMDWOQSDJGA-CQSZACIVSA-N 428.813 4.770 30 10 IJEE C=CCN(C(=O)CCc1ccc(-c2ccccc2F)o1)c1nc(C(=O)OCC)cs1 409817410 RSAXERCIARLGHM-UHFFFAOYSA-N 428.485 4.871 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 460955687 CNPODQCTKKETON-UHFFFAOYSA-N 430.556 4.732 30 10 IJEE C=CCN(c1nnc(COc2ccccc2-c2ccccc2)n1C[C@H]1CCCO1)C1CC1 461064950 KXTWJCCLXCLSKS-JOCHJYFZSA-N 430.552 4.858 30 10 IJEE C=CCN(C(=O)CCc1ccc(C)cc1Br)c1nc(C(=O)OCC)cs1 483959317 JRPJPJUEZSXNMO-UHFFFAOYSA-N 437.359 4.543 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 508900836 COWBCYUWSHAXPI-QFIPXVFZSA-N 448.954 4.893 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1OC 526515651 JCFBJQSFDXHTIW-XMMPIXPASA-N 441.487 4.808 30 10 IJEE Cc1cc(C)c(C#N)c(SC2=C(N3CCCCCC3)C(=O)N(c3ccccc3C)C2=O)n1 526695969 IUIGRNVPMKLAQN-UHFFFAOYSA-N 446.576 4.632 30 10 IJEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 549676611 CRKRGZYUWVQMIV-LJQANCHMSA-N 429.446 4.513 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)NC3CCCCC3)C2)c1 586007070 VFNKSFBUQBJCLI-QFIPXVFZSA-N 426.605 4.761 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccnc1 623014746 FGXZBAAXXXEXQW-LSDHHAIUSA-N 427.961 4.538 30 10 IJEE C=CCC1([C@@H](Cc2ccc(F)cc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722921517 CQCIJSBQVJMNCM-GOSISDBHSA-N 441.385 4.922 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 745234295 AZUZTRSKOLBJAX-FFZOFVMBSA-N 426.463 4.564 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)NCc3ccc(OC)c(O[C@H](C#N)CC)c3)c2)c1C 766459048 KVZMRAZJTDCLCU-QFIPXVFZSA-N 446.551 4.671 30 10 IJEE C#CCOc1c(Br)cc(/C=C2\S/C(=N/CC)N(CC)C2=O)cc1CC=C 1084056301 ANYYOMSBERJFPP-NDINLBLUSA-N 433.371 4.502 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)OC/C=C/c2ccccc2)n[nH]1 1084343116 NGQZLCRJBCHFEE-FZVGBFJKSA-N 433.537 4.655 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(F)cc2)n1 1084527094 HRLPDYNRCWLWHA-UHFFFAOYSA-N 444.561 4.623 30 10 IJEE N#Cc1ccc(OCc2nnc(-c3cc(OCC(F)(F)F)c4ccccc4n3)o2)cc1 1118064965 AFULCTMPRMWMGY-UHFFFAOYSA-N 426.354 4.677 30 10 IJEE C=CCN(C(=O)Cc1c(C)nn(C(C)C)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124353100 SHLKUPFCQLAGCF-UHFFFAOYSA-N 439.541 4.874 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3cccc(Br)c3)no2)c1 1126175613 APTXLMJUFSFGLI-KRWDZBQOSA-N 440.297 4.715 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)s1 1126463589 LXWLRCNJVGFWBX-QGZVFWFLSA-N 436.046 4.932 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)c1ccc(Cl)cc1 1129722709 NLIUCBVWASLLBL-LJQANCHMSA-N 428.294 4.911 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)cc21 1157640631 XBSAAHHAGDLAKC-UHFFFAOYSA-N 437.569 4.987 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCc1ccccc1 1188156196 ZYTPKGAVTRATBY-FQEVSTJZSA-N 449.620 4.935 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 1198966033 PJSPSAZTORFKHT-SFHVURJKSA-N 434.323 4.875 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)CCOCC1 1200330692 NYHAMUGZDIDRGC-UHFFFAOYSA-N 437.393 4.726 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NC/C=C/c2ccc(Br)cc2)cc1C#N 1202377204 FFHFCTDXIFEJLU-ONEGZZNKSA-N 443.301 4.724 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1(CC)CC 1202433803 AZXVBRBRKCNHMS-RTBURBONSA-N 429.952 4.845 30 10 IJEE C=C1CCC(CNC(=O)Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)CC1 1205652372 HYIJOWITPSKIFR-UHFFFAOYSA-N 427.570 4.972 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)cc1 1211716762 ULIOENFYHUUWFG-UHFFFAOYSA-N 449.414 4.991 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCCN2CC2CCCCC2)cc1 1214911964 JXZLUSVDKUAAJD-DEOSSOPVSA-N 438.616 4.667 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1251704581 ZYSUMYOTOPCRFH-UHFFFAOYSA-N 426.388 4.987 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)CC1 1253866505 BHKIVNMWMLHNFV-UHFFFAOYSA-N 438.522 4.960 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCC(F)(F)F 1286515321 HBMLLKGEYYFRMA-LJQANCHMSA-N 428.405 4.881 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCSCC(C)C 1286524692 NTILAZWUKCEHIA-HSZRJFAPSA-N 432.584 4.919 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CC=CCC1 1286527960 VBUDQYYTZPBJQP-HHHXNRCGSA-N 447.627 4.543 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCNC(=O)C(C)C 1286566599 OQILBHBRGMMMNM-UHFFFAOYSA-N 443.661 4.840 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286588114 ZQOQZUARKIZKQI-UHFFFAOYSA-N 447.406 4.895 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1286611510 KICKZOQNAPXLSN-UHFFFAOYSA-N 438.616 4.996 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1286655458 MQABHJVCTASYJD-SFTDATJTSA-N 446.643 4.976 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2sccc2C1 1286705182 STWOAZUXPDNYQY-SFHVURJKSA-N 443.617 4.941 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCN1CCCC(C)(C)C1 1286748654 YHKRDLDHOZAPGM-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccco2)C1 1286799659 YPBOMBWVUURPFQ-QFIPXVFZSA-N 436.556 4.651 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CCC)CCC2)C1 1286802157 PEUCSYQTMVVOAW-FQEVSTJZSA-N 425.533 4.605 30 10 IJEE Cc1cc(OCc2ccccc2)c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)s1 1290342220 DFIYOTPSCDFXTF-JOCHJYFZSA-N 449.551 4.797 30 10 IJEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cccs1 1291794763 DCCKBBQYUNNPJY-XLIONFOSSA-N 448.596 4.525 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1csc(C)n1 1300280648 ACWXNOUMFMEZLQ-OAHLLOKOSA-N 425.627 4.741 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)cc1OCC1CC1 1300609071 JANNYRHWMNLRAO-UHFFFAOYSA-N 435.959 4.599 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCc1csc(C(C)(C)C)n1 1300613205 ANLUNLLTWKIMNM-UHFFFAOYSA-N 444.608 4.950 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1300830334 FMNUWVULIBZYEV-XPKDYRNWSA-N 425.396 4.728 30 10 IJEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccccc1C 1300830728 JUTGPKJQOZQQJT-PKOBYXMFSA-N 449.393 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)C/C(C)=C\c1ccccc1 1300884933 NAOVTINNKLLZDG-MPEVCQIMSA-N 436.600 4.693 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1300937186 KLHWMFZVUXWJEI-QFIPXVFZSA-N 444.583 4.642 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1cccs1 1301346612 GRGXKWIQGXXLDG-XMMPIXPASA-N 431.565 4.502 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CCC(=O)N1CCCCCC1 1301349619 MLUONORYJARPJR-UHFFFAOYSA-N 449.643 4.996 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1301434442 RIEXOBSZTOINHA-LIRRHRJNSA-N 442.361 4.818 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1301594369 AZUCNNMXKAYMCW-QZTJIDSGSA-N 437.654 4.547 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1306891346 AINKIJMRLUFCHB-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)cc1 1309649436 NVPMUEZTCSSNDI-NQIIRXRSSA-N 436.618 4.509 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnc(Cl)c(Br)c1)c1ccc(Br)cc1 1310524497 NTCYEAPDYAJICU-CYBMUJFWSA-N 443.526 4.756 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2cccc(Br)c2)cc1 1351368823 PUDOLVFNSDZGQA-UHFFFAOYSA-N 426.314 4.689 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 1353295530 DOTMOLMXOZNSMI-SFHVURJKSA-N 441.350 4.861 30 10 IJEE C#CCN(C(=O)[C@H](C)CSC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1353636013 VEQVFWGLLVWTLD-RISCZKNCSA-N 436.293 4.624 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1OC 1355376803 HLFDLVJZSKEYIR-CHKMETFLSA-N 449.938 4.965 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1358905291 WMZLSKHSKGUOES-KXTRFFEISA-N 435.616 4.507 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1358909148 VRLXMKKOWSGVGG-PXNSSMCTSA-N 443.389 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OCCCC 1358990725 YZGOKLDFJSECOH-UHFFFAOYSA-N 447.970 4.684 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1cccc(OCC)c1 1359067672 XIOLTTPDXWBVAM-XMMPIXPASA-N 435.959 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C)C1 1359090824 GSAHFCDBWNKWPB-YXTQBTIXSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCCOc1ccccc1C 1359094705 DSJWXPANYFKZEJ-QPPBQGQZSA-N 447.583 4.535 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1359195279 JSGAAVSTWIRIJX-DNQXCXABSA-N 438.616 4.785 30 10 IJEE C=CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C(F)(F)F)cc1C)C1CC1 1359252154 HEUNPPDMCGFTGW-UHFFFAOYSA-N 427.474 4.794 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1359252477 STEDOTJUKAROTA-WOJBJXKFSA-N 439.623 4.919 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1359266405 ZRUYQIXUFWTYOF-JJTGBXKASA-N 434.632 4.808 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCC[C@H](C)C1 1359276594 JHBFUJUNRUSDIO-VQTJNVASSA-N 437.588 4.795 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2nc(C(F)(F)F)cs2)C1 1359317400 HUYZSRMDKBLMHI-HNNXBMFYSA-N 449.502 4.558 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OC)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1360071483 ZUYGOHSKUQJAJY-HXUWFJFHSA-N 439.350 4.742 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCc3ccc(Br)c(C)c32)c(OC)c1 1436618027 UBDPMSYSCVTGHU-UHFFFAOYSA-N 430.342 4.853 30 10 IJEE C=CCn1c(SCC(=O)NCCC(C)(C)C)nc2cc(-c3ccccc3)sc2c1=O 1458861026 HWLMGPZBJQPCOQ-UHFFFAOYSA-N 441.622 4.956 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)Cc2cccs2)c1 1459720967 BSBRIEHXUVITPH-UHFFFAOYSA-N 445.588 4.857 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1 1462503451 JXOXNXZFOOJAQA-HYBUGGRVSA-N 440.609 4.935 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1)C(=O)OC 1471893984 RYYJDDBOSXMVPE-DEOSSOPVSA-N 445.563 4.843 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1 1476224753 PMXSAKQOIBTYBF-UHFFFAOYSA-N 447.551 4.777 30 10 IJEE CO[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)CC(C)C 1476551705 DTBMPSGFRUMCQN-HNNXBMFYSA-N 440.491 4.807 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@H](c4cccc(Cl)c4)C3)CC2)c(F)c1 1478807778 FQWJOFNODMUSEE-PZJWPPBQSA-N 440.950 4.909 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCC(C(F)(F)F)CC2)cc1 1504155167 CSDICFFTHMICGD-HJOIGYKYSA-N 435.494 4.918 30 10 IJEE COc1ccc(CCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCCC(F)(F)C2)cc1 1504215287 BNRXIVJIKBDCFK-ICSRJNTNSA-N 445.558 4.883 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cccnc1OCCCC 1507519568 SLHQNHWDBSLKOX-OAQYLSRUSA-N 443.595 4.828 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1507520021 MDMVHJSGTCOCNS-NJVGLYJLSA-N 444.627 4.770 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCN(CC(C)C)C1 1507608247 HGRHVTVNKPAKRE-QGZVFWFLSA-N 434.415 4.689 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1C1CCC1 1507744576 NGKUHAXYPYSJIV-IBGZPJMESA-N 432.540 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1CCC(OC)CC1 1507762166 PYQSLGPAASNFRA-VWLBVBLESA-N 442.991 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CC1(N2CCSCC2)CCCC1 1507817318 OLINHPLBBQGQEU-UHFFFAOYSA-N 425.646 4.709 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)c1cccs1 1507818063 UWNLMCHPHUOHJZ-DEOSSOPVSA-N 433.581 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn2ccsc2n1 1507823689 MXOBTQZSHBGQNZ-UHFFFAOYSA-N 442.976 4.670 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1507858574 ODRPCGZLXQLDNT-GOSISDBHSA-N 432.355 4.614 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1507888080 VWHLQGAOQHWXPQ-JOCHJYFZSA-N 434.506 4.617 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC1(SC)CCC1 1508009037 WKMBZIMWEMXBEO-UHFFFAOYSA-N 425.627 4.804 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(Br)c(C)nc2OC)c1 1520385314 QRIPYSQPGIJBCY-UHFFFAOYSA-N 425.282 4.582 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 1520639835 BCFBFNXQYDOGBU-UHFFFAOYSA-N 447.292 4.677 30 10 IJEE C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1cc(Br)cc2c1OCC2 1525639202 GRADXLQTDQLHRF-XOBRGWDASA-N 441.325 4.529 30 10 IJEE C#CC[C@]1(C(=O)OCc2nc(-c3ccccc3)cs2)CCCN1C(=O)OC(C)(C)C 1527009395 JHNSDLVRPPDILI-HSZRJFAPSA-N 426.538 4.646 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3cccs3)c3ccc(F)cc3F)cc2C1=O 1527625513 MDOCQDAEYNSDSB-UHFFFAOYSA-N 438.455 4.655 30 10 IJEE C#CCN(C(=O)Cc1ccc2cccnc2c1)[C@@H]1CCOc2ccc(Br)cc21 1529627561 QGLJJCFTDMWPFJ-OAQYLSRUSA-N 435.321 4.525 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCC(F)(F)C1 1538992172 MKRBERPERGHBHP-DLBZAZTESA-N 432.515 4.636 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1539085925 URAFIBGEMNPOEQ-PWRODBHTSA-N 430.637 4.784 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCOC(C)(C)[C@@H]1C 1539095596 HWJCFOHICRSRAA-SFHVURJKSA-N 435.597 4.794 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1539136386 YDLATNXQJBURJN-UHFFFAOYSA-N 437.517 4.604 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCCC(F)(F)C1 1539401012 PLOWIBDXVZHHNE-KRWDZBQOSA-N 436.934 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@](C)(CC)C1 1539621366 RAHCARHVJOPKHM-QMHWCDLVSA-N 430.980 4.585 30 10 IJEE C=C(C)Cn1c(N2CCc3ccccc3[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733745 NAWVPLLTZNMHME-RLLQIKCJSA-N 437.588 4.749 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC12CCC(CC1)C2 1540059762 XKUFXACPZMJVSA-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1540168120 JIEGPAJKIAILCN-HXUWFJFHSA-N 449.530 4.725 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2C)CC1 1540194666 XHKFRVYEZJHNHP-UHFFFAOYSA-N 437.975 4.673 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1540920020 LMRZCZXDRLOSTA-IYBDPMFKSA-N 439.050 4.760 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1540922341 LJGCZPHXXPSXHI-GOSISDBHSA-N 432.659 4.802 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCc1ccc(Br)cc1 1541118459 AOBNXTCVBIKSFC-MRXNPFEDSA-N 430.394 4.612 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1542095271 ZOUXQOAZGGRVJP-MRXNPFEDSA-N 439.940 4.847 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 1543358547 JTEWHMCLRXCUKC-OAQYLSRUSA-N 426.488 4.650 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)CCc1c(F)cccc1F 1561221954 DELIVKGROONKLJ-UHFFFAOYSA-N 444.478 4.863 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Cl)c1 1566267491 BQMSTWGHFUPKEK-WIYYLYMNSA-N 428.363 4.992 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 1566438474 ACCAPVWGKOAPKI-MPGHIAIKSA-N 426.479 4.620 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC1CCCCC1 1587593572 MUFHYTXJWRFZQQ-QGZVFWFLSA-N 430.980 4.804 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1587872552 MCQKESTZTIBMCM-AOYPEHQESA-N 447.671 4.958 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN(C(C)C)C1 1588265768 GUGLYXGQEMKDBA-WOJBJXKFSA-N 444.023 4.651 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccsc1Br 1588413075 ODOYLKVNCQARFF-UHFFFAOYSA-N 449.805 4.854 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1cccnc1)C(C)C 1588581646 ZJWANTSXBDRVDT-JOCHJYFZSA-N 437.975 4.519 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1588984676 IWPQJRIDWDJOOR-AABGKKOBSA-N 442.629 4.808 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1589070290 RUUGOULZXRCKFT-UHFFFAOYSA-N 426.630 4.626 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 1589347822 WTINQJKLTJKHJZ-OTYXRUKQSA-N 434.140 4.955 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 1589505562 NAPUUBRQFUJKFZ-UYAOXDASSA-N 445.489 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccnc(OC2CCCCC2)c1 1589669297 PIZSBVIKHGELOJ-UHFFFAOYSA-N 446.599 4.821 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1594651847 RORCJXSMQZEZDL-VQIMIIECSA-N 438.494 4.857 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1595064778 AXQBBXQHLJQXPF-UHFFFAOYSA-N 449.502 4.844 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN(C(C)C)C1 1595243985 MYAYGFQNIYJUKH-OAQYLSRUSA-N 437.588 4.795 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 1595884290 JJKSAPSVQVJTKE-SFHVURJKSA-N 425.602 4.921 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(C#N)c(Br)c2F)CC1 1613068636 CCIDVTHZORAFQO-CYBMUJFWSA-N 426.330 4.909 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC(C)(C)C2)c1 1616316282 GSXBUHKJWCLHAM-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C=CCNc1ncc(C(=O)N(Cc2cc(Br)ccc2OCC)C2CC2)s1 1616556258 JTVNLPOGYXURTF-UHFFFAOYSA-N 436.375 4.707 30 10 IJEE C#CCN(C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C1CCN(C)CC1 1617454071 HVBNZXHWWIJLTM-UHFFFAOYSA-N 448.010 4.832 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1oc(CNC(=O)OC(C)(C)C)cc1C 1623848821 WBACZBVPZUTXTE-UHFFFAOYSA-N 430.549 4.609 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(Nc3ccc(F)cc3F)c(Br)c2)nn1 1624411174 GOZNLBAMZYCOQZ-UHFFFAOYSA-N 448.271 4.891 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Nc3nc(C)cs3)cc2)CN(C(=O)OC(C)(C)C)C1 1628283955 SWORTBNKSPBFMI-UHFFFAOYSA-N 428.558 4.947 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1COc1ccc(Br)cc1 1631772800 RXEBKQQMBIUQLN-IBGZPJMESA-N 445.357 4.767 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)CC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1636253741 ALKWWIAPWKQMGD-SWLSCSKDSA-N 433.268 4.506 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)c1ccc(Cl)cc1F 1636571813 VITULTILHCSLTD-IRXDYDNUSA-N 437.696 4.739 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccsc2)nc2sc3c(c2c1=O)CCCC3 1643476704 OPKNEHBBOIBJDQ-INIZCTEOSA-N 432.592 4.591 30 10 IJEE C=CCn1c(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc2sc(C)c(C)c2c1=O 1651629538 SXEVOPOAAQQUGU-HNNXBMFYSA-N 435.615 4.610 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@H](N[C@@H](CC)CC#N)c2ccccc2)sc2c1CCCC2 1654660981 DELLXULLSYWMME-LAUBAEHRSA-N 439.581 4.765 30 10 IJEE C#CCN(C1CCCCC1)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1661194764 NZKKEUOCSFQVIR-UHFFFAOYSA-N 439.400 4.529 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2nc(C)c(Cc3cccc(Cl)c3F)s2)CC1 1661826178 QNDVKVWYSGMXGK-UHFFFAOYSA-N 436.984 4.997 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1C(F)(F)F 1663247228 GGFVKSANQHTPSK-AWEZNQCLSA-N 448.388 4.774 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](CC(=O)OCC)c2cccc(Br)c2)c(Cl)c1 1664985171 BLCQRCOVNQKRIG-SFHVURJKSA-N 449.732 4.900 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(F)cc1 1665946165 SDDONZCEFPAKKN-PKTZIBPZSA-N 433.552 4.660 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OCC)c2)C1 1669649389 CZFXRHVBLUJCLY-GOSISDBHSA-N 426.538 4.823 30 10 IJEE C=CCN(C(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1)[C@@H](C)COC 1670567974 BGZNFPROLPRVTG-AWEZNQCLSA-N 428.480 4.598 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 1671072040 DGBNJTXBPWUMMT-RTWAWAEBSA-N 429.923 4.981 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)c(F)c1 1671852222 TWKIBCWPJOMBDF-XUZZJYLKSA-N 443.494 4.682 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 1672209581 GMQKVDCPXXRCHP-QGZVFWFLSA-N 444.329 4.633 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](Cc3nc(C)cs3)C2)cc1 1673819907 PIOYBGQRSIGJPA-IBGZPJMESA-N 438.597 4.752 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3C[C@@H](C(=O)OC(C)(C)C)c4ccccc43)cc21 1675098789 NWTWIPAJCSQIMM-RTWAWAEBSA-N 432.524 4.914 30 10 IJEE C=C(C)c1cccc(NC(=O)N2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1675382051 VPUDRRSQOABTDH-SFHVURJKSA-N 429.561 4.742 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 1678937283 CAVGKIZAYKEFNX-HXUWFJFHSA-N 445.332 4.941 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1681741747 PLDZPNRQLRTJBY-UZLBHIALSA-N 437.506 4.744 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1scnc1C 1689920860 LVLBFQWODVFVQX-UHFFFAOYSA-N 448.365 4.661 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(SC)CCC1 1690026491 BICMJMDKTKVTSH-UHFFFAOYSA-N 436.625 4.647 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1sccc1C 1690032466 BVMKTCOGDYBDSU-IBGZPJMESA-N 436.556 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@](C)(CC)C1 1690241555 UFPNAFNLHAEMJJ-GRWTVWFQSA-N 448.970 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1690254620 DZPJUHFFEQHZBF-WMZOPIPTSA-N 443.558 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)C(C)C 1690258262 AGCAQQLVCGCURU-GOSISDBHSA-N 427.412 4.579 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(Cl)s1 1690309751 JLDZVKTXPRNUAL-UHFFFAOYSA-N 431.993 4.983 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCSC(C)(C)C1 1690320261 OTIFNUANGNDRBZ-UHFFFAOYSA-N 432.659 4.803 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](COCC)C1 1690352515 GPPRASIQHXPMPL-SFHVURJKSA-N 432.996 4.770 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nccs2)CC1 1690367441 PCVRMALLHBULII-UHFFFAOYSA-N 430.375 4.563 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](COC)C1 1690420218 KQNBXNOEKYUJIR-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690439938 UEODTEAUFSJFKY-MOPGFXCFSA-N 442.585 4.595 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1690480710 NPUFUARFPXPCCU-RTBURBONSA-N 434.588 4.684 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)C1)C(C)C 1690583329 HBJCKIXZICKTBP-WBADGQHESA-N 443.680 4.742 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1scnc1C 1690613428 HCHKVCGHYMUEGQ-UHFFFAOYSA-N 439.629 4.889 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(NC(C)C)CC1 1705510098 NLDGUCWPYMMVBW-JOCHJYFZSA-N 437.632 4.805 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C1CCN(CCC)CC1 1705525314 DKBCBKXIXYIDDR-UHFFFAOYSA-N 430.600 4.526 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(CC)C1CCCC1 1705654358 FVBAJJSJMZLZIM-UHFFFAOYSA-N 433.419 4.843 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccccc1OC 1705663752 PQFIIRRMYDRRRX-HXUWFJFHSA-N 438.622 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1Cc1ncc(CC)s1 1705677731 ZNWHIAPGTDHHHW-XMMPIXPASA-N 435.597 4.533 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(OC)cc1 1705699974 NOJYQDDCPUWYAS-XUZZJYLKSA-N 447.583 4.665 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705749052 IXSTVMUGIIINAT-UHFFFAOYSA-N 443.382 4.689 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1705765419 LATNEERSCGAOMO-UHFFFAOYSA-N 434.853 4.612 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1705811837 LPOCHAAPSIBXFA-PZJWPPBQSA-N 427.568 4.588 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCO[C@@H]1C1CC1 1705836630 ZSNIRUPRXWTLIA-NQIIRXRSSA-N 449.368 4.674 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1csc(-c2ccco2)n1 1705844930 YMLJPEZAVVWVGO-UHFFFAOYSA-N 425.945 4.909 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1ccc(F)c(F)c1F 1705866069 GNZFIIZFZWJOCE-INIZCTEOSA-N 448.514 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1705881866 DRWBWUVQQMETBF-GMAHTHKFSA-N 440.632 4.943 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2cccc(F)c2[C@H]1C 1705893596 BGQLRCCPVGHFTF-APWZRJJASA-N 441.551 4.799 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C(C)C)C1 1705913769 XPDDPPVCPXDRKY-LJQANCHMSA-N 437.613 4.729 30 10 IJEE C=CCSCCn1c(N2CCS[C@@H](C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1705950358 YMZJINLNVWYJGW-OALUTQOASA-N 428.671 4.998 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(N2CCN(c3ccc(C#N)cc3Cl)CC2)nnc1C(C)(C)C 1706718883 BYGMVBRFTUJLKG-FXAWDEMLSA-N 426.996 4.644 30 10 IJEE Cc1cccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)c1 1707309711 BKKOUANOJCZTDU-NBGIEHNGSA-N 430.556 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCc1nc(C(F)(F)F)cs1 1722287455 NCEYZWQBJCJLBJ-LBPRGKRZSA-N 439.894 4.774 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1722320629 FDIBWLOVRGMKDW-XMMPIXPASA-N 436.600 4.673 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCc1ccc(Cl)s1 1722419012 LFCMTIGGACGILN-LJQANCHMSA-N 444.963 4.866 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(OCC(F)(F)F)cc1 1722515007 MPBMOZNQPOEGQH-UHFFFAOYSA-N 445.489 4.656 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1722521846 YZWAYVZJQDWTLD-UHFFFAOYSA-N 449.393 4.686 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1722542775 HQDIZDCPAWXGBS-HNNXBMFYSA-N 436.387 4.550 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722547254 DFUMEPCWUTYVST-UXHICEINSA-N 448.995 4.745 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2CCOc2ccc(Cl)cn2)CC1 1722569315 VFKWEXKMBSQODV-UHFFFAOYSA-N 437.975 4.737 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(N(C)C)CCCC2)CC1 1722578987 FSKHCNPQTUNBCY-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CCC 1722585053 PCWCNMBZIXUGIL-KRWDZBQOSA-N 446.665 4.774 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2nccs2)C1 1722613114 TUDQNZBMRXJBEM-KRWDZBQOSA-N 433.940 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C(=O)NCC)c1 1722636097 XVOWQYOMLXVJKA-QGZVFWFLSA-N 449.624 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCn2ccnc21 1722667411 YLSBAFCCRHHLFK-QGZVFWFLSA-N 438.963 4.560 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC(C)=C(Br)C1 1722743347 XFMOKRQUGXULFP-UHFFFAOYSA-N 447.446 4.862 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCSC1 1723986960 AIZUVYMAKIERGV-HOIFWPIMSA-N 446.020 4.955 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCC[C@@H]2C)c1 1724248665 AEDJPSSYORYANW-WZOHSFFVSA-N 439.604 4.578 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1727758580 FUQKJOOJSHDKJS-FQRUVTKNSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1740594047 ZNFVOWUVOOUTJT-FQEVSTJZSA-N 434.613 4.641 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCOC1CCCCCC1 1740734854 QGOGDBCEYAXDPQ-AREMUKBSSA-N 436.600 4.897 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1740753476 KONUUHYFDDTXND-HQRMLTQVSA-N 430.980 4.583 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740780339 RFRNXBCHYDDBCE-UHFFFAOYSA-N 440.832 4.549 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCSC2)CC1 1740829119 LKHOTNHKXXFXPE-LJQANCHMSA-N 428.602 4.555 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1740858826 AWTFDNYFAQCFRM-DEOSSOPVSA-N 449.599 4.728 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CC(F)(F)CO1 1740935933 BKCRJVACGRZDNV-KRWDZBQOSA-N 448.901 4.851 30 10 IJEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CC1 1741624975 GVGMURFHKIYGES-UHFFFAOYSA-N 441.004 4.500 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1748740628 RVWTXDADCCHSKP-UHFFFAOYSA-N 434.565 4.528 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1749091681 DBHQKGLQFLNNAO-WMZOPIPTSA-N 431.378 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ncc(CC)s1 1749132693 CDBZCNHSQZXOJK-UTKZUKDTSA-N 443.642 4.567 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1749369217 YVMMLHKOVOXZNB-WOJBJXKFSA-N 431.669 4.990 30 10 IJEE COCC1(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CCC1 1749393591 AIGAQEHRKBKIPX-SFHVURJKSA-N 441.551 4.504 30 10 IJEE C=CCCCn1c(N2CCO[C@@H](c3ccc(Br)cc3)C2)nnc1C(C)(C)C 1749439965 OINUGSYHDQOVJD-GOSISDBHSA-N 433.394 4.882 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(Cl)ccc1OC)C1CC1 1749511105 DJGVKKWOCDIKQI-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)c(F)c1 1749561210 JCOYZBKQZCUURQ-UHFFFAOYSA-N 448.315 4.551 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)c1cc(C)oc1C 1749579488 RQYJIGMXJIIRDX-AREMUKBSSA-N 445.567 4.577 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)SC 1760103904 NSNGCIJSRIMDDN-LBPRGKRZSA-N 441.826 4.961 30 10 IJEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(C)(C)CC=C)CC1 1760261579 UBWOBXMXPJEREJ-UHFFFAOYSA-N 449.643 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)CCC(C)C 1760293282 QNAMRFSYRVOTGF-FTJBHMTQSA-N 433.600 4.616 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nnc1C(C)(C)C 1760327150 CLRZCZDQEXENCW-WIYYLYMNSA-N 439.560 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)c1ccc(C)cc1 1760330268 WWJBFKPCQRUVJV-OFVILXPXSA-N 426.605 4.833 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1760346634 RXCRPXNMUUFLOQ-AWEZNQCLSA-N 448.543 4.557 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760409460 VRQKPIQJUBQLDB-SBUREZEXSA-N 430.980 4.585 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCC(F)(F)C1 1763655452 MICAAUITUHWETE-HOTGVXAUSA-N 444.530 4.542 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC#N)CC1)C(C)C 1765781420 HBGHDWRGUZKTIC-JOCHJYFZSA-N 425.577 4.535 30 10 IJEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 1768785076 DSAXVUSTXROVCI-IRLDBZIGSA-N 437.588 4.535 30 10 IJEE Cc1cc(=O)c(C(=O)Nc2sc3c(c2C#N)CCC3)nn1-c1ccc(Cl)cc1Cl 1859653645 YOEURUPJCVYSJO-UHFFFAOYSA-N 445.331 4.522 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861216406 GIFVDCXCOYMOBN-JWQCQUIFSA-N 443.676 4.906 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(O)c2)cc1 1862390090 VOFLSNMRWKOMGY-DEOSSOPVSA-N 442.515 4.908 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862398088 VIWVCBMWQIZTDK-HSZRJFAPSA-N 433.504 4.565 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862414642 FHZRCAJHDLOOEW-JOCHJYFZSA-N 445.425 4.620 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478562 KCACLTKYTJWXIK-JOCHJYFZSA-N 433.504 4.994 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(Cl)c2)c1 1862556640 BIDJYNKYPVOMQL-JOCHJYFZSA-N 432.907 4.743 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862557141 DWKFWYUQKUFFEU-QRQCRPRQSA-N 443.459 4.517 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862594537 FRAKWAKANKKWJU-OAQYLSRUSA-N 439.389 4.588 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(C)c2)cc1F 1862636622 KTIVLBBELYKXJH-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)ccc1O 1862655160 ATHYPPRUWQHICU-HSZRJFAPSA-N 431.488 4.931 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862674245 UGFMGBIFRKEICX-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862690481 AJYQQBIAXDLHPE-JOCHJYFZSA-N 449.503 4.695 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3ccccc3C#N)C2=O)c1 1863037099 WGXNIOIWXISTLU-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE CC(C)OCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2cccc3ccccc23)C1=O 1863231101 UEHCWIAFFZEXAS-UHFFFAOYSA-N 439.515 4.719 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866724793 PNPBPDLZKLGUKX-RPWUZVMVSA-N 449.620 4.935 30 10 IJEE CC(C)(C)c1nc(Nc2ccccc2C#N)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868350375 HRJDWJBZLGBCDW-UHFFFAOYSA-N 446.599 4.618 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3cccc(Cl)c3)n2)C1 1870017058 FSELMOGVKDMVIX-IYBDPMFKSA-N 434.931 4.527 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CN(CCC)CCCC 1870753165 WVRTXSDAQWGNLY-UHFFFAOYSA-N 439.600 4.681 30 10 IJEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc(Oc2ccccc2)cc1 1870876882 PHFODLQVFPSNQL-UHFFFAOYSA-N 448.519 4.771 30 10 IJEE Cc1cc(OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871363968 ZSUUWNZPWPBHRS-UUYOSTAYSA-N 444.443 4.805 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c1OC 1871392066 NTDWFPCYDKZUDA-BKUYFWCQSA-N 436.485 4.920 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CCCC 1872164236 PHQNQORLECEQMY-JOCHJYFZSA-N 438.634 4.981 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 1872209167 YMWVQDHFPMXGDP-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)C(C)C)S(=O)(=O)CCC 1872285935 GZBWEZIKKVVJPZ-QHCPKHFHSA-N 449.661 4.504 30 10 IJEE CCCCCOc1ccccc1/C=N/Nc1cnn(-c2ccc(OC)cc2)c(=O)c1Cl 1873525775 WAZSVRBQMOWFLJ-MFKUBSTISA-N 440.931 4.910 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2/N=C/c2cccs2)cc(C)c1Cl 1874217964 ODGJABXJPADZSB-SRZZPIQSSA-N 436.990 4.546 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc(OCC)c1 1874474984 CYLYXTPKNUDYTA-LFVJCYFKSA-N 437.569 4.632 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(F)cc1 1874504512 QWWYJWVSLQMOIY-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OCC(=O)OC 1874634322 WHWSMWHWJWGXAV-CMDGGOBGSA-N 444.911 4.842 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3F)c([N+](=O)[O-])c2)cc1 1875113189 UMLGRJHQFIMRPA-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccc(C)cc1 1875150134 YNIWCLFGTXTVGL-UXBLZVDNSA-N 446.455 4.856 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cnc(C)cn1 1875166969 WZYDDOLEGNTSOR-RMKNXTFCSA-N 432.476 4.534 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1C 1875187862 IKPGDUUHZNOEOB-SOFGYWHQSA-N 432.432 4.731 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1F 1877009051 LCOVFQMNXVYMTO-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CNc2ccc(C#N)c(Br)c2F)CC1(C)C 1878905339 LMAABFDXRFEIMA-GFCCVEGCSA-N 426.330 4.907 30 10 IJEE CCN[C@@H](CC#CC1CC1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1997460712 HWKLQWDETKSGSN-JYFHCDHNSA-N 426.601 4.612 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)c2cc(Br)cs2)C1 2062969333 MMPDAJNCKZQOQP-LBPRGKRZSA-N 429.380 4.549 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2124522076 OPAQHNWTCJROEF-UHFFFAOYSA-N 442.365 4.827 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2159128725 VKANUCUHCBQQBP-LSDHHAIUSA-N 441.414 4.643 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC(CCC#N)CC1 2181044873 DHSXXIATSBGHLC-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181099925 FPBVNALRMRTUFC-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC(=O)Nc2cc(Br)ccc2C#N)C1 2181155194 NMYMOFGSCLJITG-UONOGXRCSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC(=O)Nc2cc(Br)ccc2C#N)C1(C)C 2186215127 RMZXCABVCGARRY-CZUORRHYSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(c3ccc(Br)cc3C#N)C1)C2 2199683066 SRWFARVCBXNNHQ-VFNWGFHPSA-N 434.378 4.842 30 10 IJEE Cc1sc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c(C)c1Br 2226123123 FRXHIGRAFPVEKK-CYBMUJFWSA-N 428.201 4.826 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1c(F)ccc(Br)c1F 2231229231 WEDMCLSTZVTLIH-WOJBJXKFSA-N 426.301 4.512 30 10 IJEE C[C@H](C#N)C1CCN(C(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)CC1 2236700196 NBTCAJAYUNNKDC-CYBMUJFWSA-N 436.350 4.808 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CCC3)cc2C1 2266999684 ZLVHCAGJAWDMFY-UHFFFAOYSA-N 442.365 4.892 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)c1c(Br)cncc1Br 2278734448 FLFFXLOGDZJPKN-UHFFFAOYSA-N 443.920 4.604 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2296323515 PBLVRLKVZVTMEX-QFIPXVFZSA-N 444.443 4.620 30 10 IJEE CCOc1ccc(N=C2NC(=O)SC2=Cc2c[nH]nc2-c2cccc([N+](=O)[O-])c2)cc1 2314486041 ALDBHRXMDHKQPK-UHFFFAOYSA-N 435.465 4.911 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317354599 QNLAWYGJJWLFNO-OUKQBFOZSA-N 432.370 4.656 30 10 IJEE C=CC[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317356393 IQFPLSWDHIWNGJ-GOSISDBHSA-N 430.354 4.574 30 10 IJEE CCOc1ccc(CCc2nnc(S)n2N=Cc2c(O)ccc3ccccc23)cc1OC 2322263150 BQXOSRLRFQHKIU-UHFFFAOYSA-N 448.548 4.500 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)cc1OC 2322415127 CNNPEFGDXGLYTD-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c(OC)c1 2323768170 UNKCJOYTUSKFNK-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)Nc1ccc(F)c(F)c1 2325514175 QJVSLGBGFNLHDD-UHFFFAOYSA-N 425.362 4.738 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1 2325707950 JGNLMIRCTUQHRG-UHFFFAOYSA-N 442.467 4.957 30 10 IJEE COc1ccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)cc1OC 2326094622 QTYVVGGKLKXENJ-UHFFFAOYSA-N 446.960 4.749 30 10 IJEE CCOc1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1Br 2326725887 GQUBJZUEJMRBDQ-UHFFFAOYSA-N 435.322 4.753 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2)n1N=Cc1cccc(O)c1 2328486147 NSWUEAFCMRYVNA-UHFFFAOYSA-N 445.504 4.657 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)cc1 2328577410 QKUFOJOSLKGXLG-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE Cc1cccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2N=Cc2ccccc2C)c1 2328998239 LNEXKEAGERFMPK-QFIPXVFZSA-N 447.608 4.794 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1cccc(F)c1)Nc1ccc(F)cc1 2331032849 PHRBIQKOCCZCRI-UHFFFAOYSA-N 441.507 4.827 30 10 IJEE CC[C@](C)(CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)N(C)Cc1ccccc1 2339299584 KJZNQLWIQJGQAF-AREMUKBSSA-N 433.405 4.570 30 10 IJEE COc1ccc(CCC2(C=O)CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1 2339387143 UYAGYEWIBQPDAF-UHFFFAOYSA-N 426.351 4.607 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339541015 FLNBZFGKKRLMMD-XMMPIXPASA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2339541743 RDCXINPGSXLPSA-RGZASWLESA-N 441.381 4.538 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3cc(Cl)cc(Br)c3)C2)OC1(C)C 2342466524 AUXXXQKZMHNYRW-GOSISDBHSA-N 428.563 4.801 30 10 IJEE Cc1ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c(F)c1Br 2381232033 KPRGDULEBMIWTQ-CQSZACIVSA-N 442.329 4.812 30 10 IJEE O=C1/C(=C\Nc2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCc2ccccc21 13381915 JCAQIVSQZFYPHA-ICFOKQHNSA-N 449.488 4.521 30 10 IJEE Cc1cc(C)cc(/N=C2\C(=O)N(CN3CCN(Cc4ccccc4)CC3)c3ccccc32)c1 22942692 VCFARDUXYXEKBA-OHYPFYFLSA-N 438.575 4.546 30 10 IJEE Cc1ccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c(C)nn(C)c2C)c(C)c1 32973562 HAOQCNMFJCHSKV-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE COc1cc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(C(C)C)cc3)S2)ccc1OC(C)C 39888470 DQAGSNQBBUYVEU-PWYGXMRTSA-N 439.581 4.770 30 10 IJEE CCCCCCCN1C(=O)/C(=C\c2c(NCC)nc3ccc(C)cn3c2=O)SC1=S 100854905 SWOQAHCZHVUFIM-GHRIWEEISA-N 444.626 4.606 30 10 IJEE CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H](C)Oc1cccc(C#N)c1 108987095 RWZRZLJPFOXTBQ-CQSZACIVSA-N 434.323 4.510 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccncc1)c1ccc2c(c1)CCO2 170021306 XIKOCEXYNJZMDA-RUZDIDTESA-N 448.478 4.953 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1ccncc1)c1ccc2c(c1)CCO2 170021311 XIKOCEXYNJZMDA-VWLOTQADSA-N 448.478 4.953 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)cc2)cc1 170057042 MDYOAMGJCJFALI-NRFANRHFSA-N 427.928 4.906 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccco1)c1ccc2c(c1)CCO2 170092675 CINSRCJDYNXUMG-FQEVSTJZSA-N 439.826 4.790 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccco2)s1 170098323 XODIGKQFOFSTKO-INIZCTEOSA-N 437.502 4.746 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccco3)[nH]c2cc1C 170098877 NHTKTRQYJFIXBE-FQEVSTJZSA-N 431.423 4.695 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(OC)cc1 170116798 FLLZJGQXPSIUKZ-MWTRTKDXSA-N 435.520 4.787 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccc2ccccc12 170220351 LPAQCGFZHUEQAG-HSZRJFAPSA-N 426.472 4.546 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)c1 170223962 YXVBCTKXMKKUFO-QHCPKHFHSA-N 427.456 4.549 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccccc1 170228392 VYQJIIKMFDLHMU-QHCPKHFHSA-N 438.483 4.967 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2)cc1Cl 170233888 SKMCMFJWDTVUAA-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccc(Cl)cc1 170236161 NEKTUVNMICSBNU-OAQYLSRUSA-N 440.927 4.547 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccco2)cc1Cl 170288304 RRPZGZDRZZPCKD-IBGZPJMESA-N 438.823 4.933 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)o1 170307351 ISGLFASMMAVWJY-QFIPXVFZSA-N 432.476 4.549 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NCCC 406288232 USHZTHXLQKNXOB-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1Oc1ccncc1 438589582 HVGOUNPWYVNKCS-UHFFFAOYSA-N 428.492 4.569 30 10 IJEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC2(CCOCC2)c2ccccc21 460373728 FOFOAQCVJPYRMB-HSZRJFAPSA-N 444.535 4.567 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 460564022 VOQSLGLBHMZZGG-FQEVSTJZSA-N 439.567 4.596 30 10 IJEE CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](C)Cc1ccc(OC)cc1 470560005 STIFDGDVTDESCT-IBGZPJMESA-N 448.567 4.763 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 475550084 NNCYHZFVMQPANF-OAQYLSRUSA-N 449.595 4.991 30 10 IJEE CSc1nc(O)c(C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1C#N 482723256 OHIHRBSNFIQOPS-UHFFFAOYSA-N 449.923 4.684 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](CN2CCCCCC2)C1 508747948 QDDAQMGAXHBPGE-OAQYLSRUSA-N 432.616 4.629 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 524020811 URAYKUPTJLNNIE-UHFFFAOYSA-N 447.373 4.884 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)c1 526491864 YFYQSRGYDVQEOC-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1C(F)(F)F 526828978 PXESVIIFOBLMAN-KSEXSDGBSA-N 435.431 4.942 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(OCC(C)C)cc2)o1 526830192 RMYSTFQFHPDSPW-FMCGGJTJSA-N 442.541 4.566 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccccc1F 526830276 FUMYCLRPOIFFBG-QRVIBDJDSA-N 430.505 4.704 30 10 IJEE CC(C)c1ccc([C@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)c2cccs2)cc1 550197064 GGTIXDHFKGSQAO-QHCPKHFHSA-N 429.545 4.538 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 578726941 IDNPYEIBQMZBFI-AZUAARDMSA-N 440.979 4.994 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)cs1 580269524 NEJBQHKMNADOOX-UHFFFAOYSA-N 427.533 4.826 30 10 IJEE CC(C)(C)c1csc(NC(=O)c2cccc(NC(=O)NCc3ccccn3)c2)c1C#N 586639947 SDPBQUVZFNZNHE-UHFFFAOYSA-N 433.537 4.886 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)c1nc(C(=O)OCC)cs1 608896068 KSSUUJGWAWSENN-LLVKDONJSA-N 429.325 4.613 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 670232395 RAHUMYBOIXHNKS-GOSISDBHSA-N 443.507 4.775 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@H]1c1cnn2ccccc12 729663819 WBSZSZBRLNQEJD-QFIPXVFZSA-N 446.507 4.802 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1 733200653 GZFWIPBUFRVUGA-QFIPXVFZSA-N 427.529 4.823 30 10 IJEE N#CCCn1cc(C(=O)COC(=O)c2cccc(OCc3cscn3)c2)c2ccccc21 754087099 GUMQIXLYMSZJFU-UHFFFAOYSA-N 445.500 4.630 30 10 IJEE C#CCN(Cc1cnc(-c2ccccn2)s1)[C@H]1CCOc2ccc(Br)cc21 769403702 IYKCDJPRLCJWGI-IBGZPJMESA-N 440.366 4.927 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C1 810195245 CROHDDUVXJRFIM-QGZVFWFLSA-N 432.952 4.713 30 10 IJEE CCc1cccc[n+]1C(/C(O)=C1/N=C(C)C(C(C)=O)=C1C)=C(/S)Nc1ccccc1C#N 917613698 QHCLLFHGZPSORF-UHFFFAOYSA-O 445.568 4.726 30 10 IJEE CC(C)(C)NC(=O)CSc1nc2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2s1 1084271721 BMGWCGDXJLSKKI-UHFFFAOYSA-N 444.538 4.668 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc1Cl 1128598095 LARRQEWTIRXOPQ-KGLIPLIRSA-N 433.401 4.641 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)cc1 1136097060 CIVOYGPFGLKIQC-UHFFFAOYSA-N 425.492 4.894 30 10 IJEE Cc1nc(SCC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c(C#N)c(C)c1C 1141744541 IFFHGIUCTFJQJH-UHFFFAOYSA-N 436.556 4.997 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C)c(OCCCCCO)c2)CCCN1C(=O)OC(C)(C)C 1152794264 RHDXOGUHGGLIKZ-VWLOTQADSA-N 446.588 4.821 30 10 IJEE C=CCn1c(Sc2ncc([N+](=O)[O-])c(C)c2Br)nnc1-c1ccccc1 1184689020 NTDKMEKORPYURA-UHFFFAOYSA-N 432.303 4.656 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1cccc(Cl)c1Cl 1187172839 FLIQYXLCAOKYDU-VIFPVBQESA-N 434.142 4.667 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(Br)c(I)c2)C1 1199761862 QAXYWYFSGVTYDQ-NSHDSACASA-N 449.130 4.874 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(C(=O)NCCCN(CC)CC)c(Cl)c2)C1 1201879736 WTYUKCMVYPSYST-SFHVURJKSA-N 435.012 4.622 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1C(F)(F)F 1215474632 BBDPOUGLNDZOFF-KRWDZBQOSA-N 438.450 4.632 30 10 IJEE CC(C)(C)OCc1cccc(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1225846113 CZKKCTJWQNUWOD-UHFFFAOYSA-N 440.975 4.559 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3(c4ccccc4)CCCCC3)CC2=O)cc1Cl 1264315618 DBPBHHRRLIZGCM-IBGZPJMESA-N 435.955 4.583 30 10 IJEE C#Cc1cccc(N(C(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)C(C)C)c1 1264942752 FJEOTQOXWKVWJM-HXUWFJFHSA-N 438.593 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N(CC)CC 1286283368 RLENLWZPUFDIIV-OXQOHEQNSA-N 443.954 4.872 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC=C(C)C1 1286562470 ABPNLOFCKOBKGD-XMSQKQJNSA-N 428.964 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCCOC 1286569030 ABQDJAOYEPRVFE-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1286587712 BMJMRPRKKGJVNR-UHFFFAOYSA-N 444.004 4.687 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1286724363 MDVULDULOBKKEY-FQEVSTJZSA-N 425.964 4.575 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)C[C@H](C)c2nccs2)cc1 1286794460 HUYMZRHWTVIXFV-KRWDZBQOSA-N 434.569 4.583 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCO[C@@H](C)C1)C(C)C 1287710753 ASQIEZKAJKUNCL-SFTDATJTSA-N 439.604 4.805 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1-n1nc(C)cc1C 1291531576 FBIWOXSAQZBGGG-IQGLISFBSA-N 431.588 4.773 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1295396015 BHXJJMCVCBTBRV-LPHOPBHVSA-N 426.590 4.587 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1 1295636030 AZTCLJUWJFUCEA-LJQANCHMSA-N 434.613 4.637 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cc2ccccn2)ccc1C 1296977372 OVZVDNSVOOYAKK-HXUWFJFHSA-N 429.948 4.955 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](c1cccs1)N1CCCC1 1300919105 VLFCZBQNSUPCIQ-NRFANRHFSA-N 436.629 4.565 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1scnc1C 1301183037 PLRHYPYPMBUPES-UHFFFAOYSA-N 433.585 4.888 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(=O)N(C)C1CCCCC1 1301309569 FSBDSYSUWMTESK-UHFFFAOYSA-N 448.036 4.637 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)N1CCC[C@H](C)C1 1301375964 VJIVBNQCTHEDQI-IBGZPJMESA-N 438.576 4.542 30 10 IJEE CCC[C@](C)(O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N 1306523473 BPKILGMAWJVYQT-BSRJHKFKSA-N 448.011 4.978 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2OC)cc1 1311302638 MHYPAFUQAXIZQT-NRFANRHFSA-N 435.524 4.502 30 10 IJEE C#Cc1cccc(CNC(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)c1 1311851724 VTKSWCVZMFGKPU-UHFFFAOYSA-N 434.923 4.779 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CC[C@@H](C)C1 1316075283 BCHNVPRDJNOLIO-IVOMFYJKSA-N 425.552 4.596 30 10 IJEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 1352634376 ABKPBFRCKMXJLN-LJQANCHMSA-N 425.410 4.861 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2coc3c(OC)cccc23)c(C(=O)OCC)c1C 1352793054 IXBURDLTVPZHDP-UHFFFAOYSA-N 443.477 4.583 30 10 IJEE C#CC[C@]1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCCN1C(=O)OC(C)(C)C 1354068445 NEKAAVMQDDCSMG-HSZRJFAPSA-N 443.544 4.605 30 10 IJEE CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCC2 1356096389 DYDZPZBXYXCLTL-IBGZPJMESA-N 425.554 4.575 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc(C(C)(C)C)cs1 1358891742 LWGSNSQLXBHYNZ-HNNXBMFYSA-N 428.005 4.783 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C1CC(C(C)(C)C)C1 1358900646 PHLTZTHDZMISHE-LWICZACBSA-N 429.609 4.504 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1358925809 RYUKNZUXDBPNRY-OAQYLSRUSA-N 437.607 4.979 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C/C=C/CC 1359015869 HSRKFYQUPUEWNB-AATRIKPKSA-N 442.336 4.781 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@H](C(C)C)C1 1359130041 WLKCJVHWFXPSJS-QFIPXVFZSA-N 437.613 4.664 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359200994 YWYGWNIBTRIFAF-JPYJTQIMSA-N 430.980 4.729 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359203286 MFTATSJKIBHLJE-AERCQKQUSA-N 443.636 4.984 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC2(CCC2)C1 1359223348 ISKBYFSJFKANQI-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359223630 QXNGXKGDKGQQOW-JOCHJYFZSA-N 426.605 4.884 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@]2(CCC)COC)nnc1-c1ccc(Cl)cc1 1436054828 IFILQWJVHRWDLZ-QFIPXVFZSA-N 449.020 4.684 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 1436274180 ACENHULZJRVJBR-UHFFFAOYSA-N 432.480 4.920 30 10 IJEE C#C[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1F 1460799806 FTPXZBAEFUJQQW-NRFANRHFSA-N 448.860 4.970 30 10 IJEE C=CC[C@@]1(C(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)CCCN1C(=O)OC(C)(C)C 1460856449 WVRUWXSTQMVQRF-RLSLOFABSA-N 428.573 4.745 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccccc2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1461892750 OPKHLEPCXXXGKP-VWLOTQADSA-N 444.572 4.604 30 10 IJEE CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(C#N)c(F)cc2F)[C@H]1c1ccccc1OC 1462276593 CYYXRHMYOGUDTR-UZUQRXQVSA-N 441.478 4.564 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccccc1 1463269568 GZJMGSPCSMFWAW-HRFSGMKKSA-N 447.398 4.826 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1ccccc1)c1cnn(C)c1 1466816917 PSGMLWIDLGNGCE-FQEVSTJZSA-N 441.329 4.659 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1 1466994384 WCJCIORKPUHWBT-HDICACEKSA-N 427.520 4.668 30 10 IJEE CC[C@@H](C)c1ccc(-n2c(SC[C@H](O)CC#N)nc3ccc(Cl)cc3c2=O)cc1 1472914610 DGOTZBYCKVZQFK-RDTXWAMCSA-N 427.957 4.919 30 10 IJEE C=CCOc1c(Cl)cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)cc1OC 1474195718 DJOPOCHIUXIKHR-UHFFFAOYSA-N 425.960 4.539 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(Cl)cc2OCC)cc1 1476041550 JFZHXVQZWNHQLN-UHFFFAOYSA-N 427.932 4.875 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@@H]2[C@H](O)c2ccccc2)n1 1476324278 CXJDFIPXBSPGHJ-IFMALSPDSA-N 435.915 4.517 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1)c1ccccc1 1478257347 LHPHVAANWXBHFX-UPVQGACJSA-N 449.595 4.632 30 10 IJEE C#C[C@@H](NC(=O)NCCc1c[nH]c2c(Cl)cccc12)c1ccc(Br)cc1 1478896971 SZSBGBJWYXCFBG-GOSISDBHSA-N 430.733 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCSCC(C)C 1507519962 LUSHBAQDHJHPDO-MRXNPFEDSA-N 435.435 4.945 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OCC2CC2)C1 1507556235 JEXVVGFODGJASQ-IBGZPJMESA-N 430.955 4.937 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1507576877 NQNYIHJVVWEJTN-HXUWFJFHSA-N 432.572 4.533 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1Cc1cn(CCCCC)nc1C 1507645375 YNJICZGJRBQPSN-UHFFFAOYSA-N 440.551 4.508 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCCOC1CCCCC1 1507699618 HJOKECQVKCSXQP-UHFFFAOYSA-N 447.558 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCCOCC(F)F 1507772806 VBBJNBRKXYXJMO-JOCHJYFZSA-N 434.556 4.543 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCc1nccs1 1507795283 HPIDMJQSAXYGGV-YLJYHZDGSA-N 444.004 4.715 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCc1ccc(OC)cc1 1507800055 UAAGJDNDFSSJBV-XUZZJYLKSA-N 440.632 4.926 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(F)c(F)c1 1507808367 QQYNYGIYQONDQM-AUSIDOKSSA-N 430.543 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[C@H](O)C1 1507818784 XFQUNKAGEZIENR-CTNGQTDRSA-N 442.604 4.694 30 10 IJEE C=C(C)COCCn1c(N2CCC(CN(C)Cc3ccccc3)CC2)nnc1C(C)(C)C 1507848072 GIQUZLIXKYGENH-UHFFFAOYSA-N 439.648 4.517 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCC(CN(C)CCCC)CC1 1507859828 FRUHJPJUHWPKNL-UHFFFAOYSA-N 432.012 4.655 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2csc(CC)n2)CC1 1507890757 PXQCWHULWFJSNP-UYAOXDASSA-N 429.634 4.615 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)CC1 1507909144 SQEMMEVSYCRDKH-UHFFFAOYSA-N 442.567 4.504 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1507915955 HSWVDGYRRZTJCH-RTWAWAEBSA-N 426.609 4.777 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1507946053 IJGXKQWIGKMLSB-UHFFFAOYSA-N 443.567 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1508006579 SAOVWRRSJPYUKV-UHFFFAOYSA-N 447.612 4.972 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1(O)CCCCCC1 1508007760 GCTFCYDYICFETJ-UHFFFAOYSA-N 449.574 4.681 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1508019293 CTUFUYTZZJWEQP-UHFFFAOYSA-N 427.499 4.733 30 10 IJEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)C1 1512002648 HTKJGRHSRSQTOG-NHCUHLMSSA-N 434.632 4.811 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1scnc1C 1513224956 GDNKWTJYJKEXLU-RDPSFJRHSA-N 434.613 4.958 30 10 IJEE N#Cc1cc(NC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)ccc1Oc1ccccc1 1523663533 GRPAJEFDTCIPHF-UHFFFAOYSA-N 435.430 4.718 30 10 IJEE C=CCc1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc(OC)c1OC 1523890750 GCIPXVXWKJTUOC-FQEVSTJZSA-N 428.598 4.697 30 10 IJEE Cc1nsc(N(C)C(=O)c2ccc(COc3ccc(Br)cc3)o2)c1C#N 1525007775 FZQPNFJOGCPSBO-UHFFFAOYSA-N 432.299 4.534 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2ccccc2OC)cn1 1525055510 BHQDUKGBXPLUEX-UHFFFAOYSA-N 449.459 4.625 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(OCc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1530703268 BSRVWWIOEYMORV-AREMUKBSSA-N 435.520 4.964 30 10 IJEE C=CCCn1cc(C(=O)Oc2ccc3c(c2)c(C(=O)OCC)c(C)n3C2CCCC2)nn1 1531846021 AAHNMGVOSBVCJY-UHFFFAOYSA-N 436.512 4.628 30 10 IJEE C#C[C@H](NC(=O)c1ccc(I)c(Cl)c1)c1ccc(Cl)cc1 1535469334 ZGHHNVIEMLXHMI-HNNXBMFYSA-N 430.072 4.702 30 10 IJEE C=CCc1ccc(OCC(=O)N=S2(=O)c3ccccc3Nc3ccccc32)c(OC)c1 1537077697 AYYAQVIGOSRPMH-UHFFFAOYSA-N 434.517 4.972 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCC(C)(C)C1 1538984353 HDPVSUJYJQGURY-OALUTQOASA-N 439.673 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(CC)C(C)C 1539247225 WECWVKJEKQPDAT-UHFFFAOYSA-N 449.599 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(C)(C)C)cs1 1539548259 JJWBGNHERFUWTG-RUZDIDTESA-N 444.608 4.806 30 10 IJEE C=C(Br)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(OC)cc1 1539613616 ZXFVFOUJKUUMHL-UHFFFAOYSA-N 443.349 4.603 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1)c1ccccc1 1539645055 FJPHNDHEOFXYJA-GDLZYMKVSA-N 426.563 4.909 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539751537 PAENLSRQZOTVAJ-QFIPXVFZSA-N 438.616 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1c1nncn1C 1539926984 YSSFBLCFSNTYRC-NRFANRHFSA-N 449.603 4.546 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 1539948178 OOBFLEGJDKMLGD-NOZRDPDXSA-N 449.643 4.723 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1539953650 LKYNBVQTGQLNDI-UHFFFAOYSA-N 436.556 4.825 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1540006612 FIVIZGCTRJAGAP-WIOPSUGQSA-N 444.627 4.719 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CCN1CCCC(C)(C)C1 1540118789 BDSDKHUTBBQMOM-UHFFFAOYSA-N 448.615 4.596 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC1(CC)CCCC1 1540134497 ZIFCVKBDHUYWHI-UHFFFAOYSA-N 427.568 4.718 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(F)c(COC)c1 1540140919 WQQSNXVEZIKQOK-UHFFFAOYSA-N 449.555 4.928 30 10 IJEE CC(C)[C@H](SCc1ccccc1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1540141845 BKJNIHAQRLSJDH-QFIPXVFZSA-N 428.001 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1ccnc1C 1540154227 RVPZCXROWNENCM-UHFFFAOYSA-N 427.556 4.575 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCCC1 1540184572 FRBHFLVQNMSTLC-UHFFFAOYSA-N 426.948 4.732 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1540915345 KCSQOUOLCONPPT-FGZHOGPDSA-N 441.645 4.544 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 1545702930 UDXHYPKILROQIP-IRXDYDNUSA-N 433.936 4.917 30 10 IJEE C#CCN(C(=O)/C=C/c1ccc2cc(OC)ccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1558369911 GMXVIZBUTHEGDF-XYOKQWHBSA-N 448.563 4.723 30 10 IJEE C=C(C)c1cccc(NC(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)c1 1558713718 ZUZCUWLJCIXDSX-OAHLLOKOSA-N 443.341 4.589 30 10 IJEE CC(C)N(CCn1c(SCCc2ccc(C#N)cc2)nc2ccccc2c1=O)C(C)C 1559331069 BHBHCSHCGQLAFU-UHFFFAOYSA-N 434.609 4.722 30 10 IJEE CCN(CC)CCCC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1559743138 FOHSTYHUGNKGSX-UHFFFAOYSA-N 430.662 4.661 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1563061418 XMDNVMGNIDKWDQ-QHAWAJNXSA-N 427.545 4.710 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 1570215036 VTHFTVAKKVBBHZ-UHFFFAOYSA-N 445.313 4.522 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 1586058277 FXCXWBMBDJEWCN-UHFFFAOYSA-N 431.208 4.689 30 10 IJEE C#Cc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)cc1 1587967461 GLXWFENBMYTPOE-UHFFFAOYSA-N 442.316 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1589171590 KXPWVFRQRNJALB-WOGXIUBCSA-N 444.526 4.742 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](c2ccco2)C1 1589421133 DXUNECVBFMGSSW-AWEZNQCLSA-N 449.299 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1589544570 IUELQKIZZUARLI-QFBILLFUSA-N 442.913 4.892 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](CC)C1 1589578053 FJJKIMJRVIDLBZ-PWHSHALESA-N 442.629 4.797 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC[C@H](COC)C1 1593671893 TTXVNNTZYXINCK-INIZCTEOSA-N 439.387 4.993 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCC(C)(C)O)CC1 1594202478 RJTFUBYMBQRTDW-UHFFFAOYSA-N 437.613 4.940 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1594408427 HYJWNHGOLAQIMM-HSZRJFAPSA-N 435.641 4.830 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCCS2)CC1 1594430486 NDWPIHCMYDEUFN-OAQYLSRUSA-N 428.602 4.554 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2CCC2CCN(CC)CC2)CC1 1594431185 ZRTLMJRTJRAYSA-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc2cnccc2c1 1594520874 DXUNBRILNUBMRL-UHFFFAOYSA-N 443.599 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@@](C)(CC)O1 1595133756 MHOVOJQXYAUFNH-ATIYNZHBSA-N 449.574 4.943 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1595234418 SHYMGXGITMGZJK-SFTDATJTSA-N 431.584 4.779 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](SC)C(C)(C)C)C1 1595700195 LXNSFOUBFCYRIB-UXHICEINSA-N 430.618 4.513 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1612619717 CILUEEIFWJDEIL-PMPSAXMXSA-N 436.585 4.556 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1(c2ccc(Br)cc2)CC1 1615600024 CSNJEWLZSJCEGD-GOSISDBHSA-N 440.385 4.748 30 10 IJEE CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]21 1621767797 CJINSMIVIAVFSS-DSNGMDLFSA-N 445.673 4.890 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)OCC 1624252320 WUARHFBCRXTUES-ZDUSSCGKSA-N 432.851 4.633 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1ccc(F)cc1Br)[C@@H]1CCCc2ccccc21 1626711319 XGQXJSYHTXCVNI-FOIQADDNSA-N 430.317 4.895 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)c1 1627444969 LPUDKAPVSPKQEW-IBGZPJMESA-N 433.529 4.767 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 1627515190 YGWKJPZFQKAOGJ-FQEVSTJZSA-N 436.556 4.775 30 10 IJEE C#CCCCCCC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(=O)OC(C)(C)C 1631717640 VPHFAOIMJWYPQD-IBGZPJMESA-N 442.556 4.765 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 1634082761 WDSROOUJUTWOEK-ZDUSSCGKSA-N 438.981 4.990 30 10 IJEE C=CC1(CC(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)CN(C(=O)OC(C)(C)C)C1 1635369258 IHYOTPSMHZOTKA-UHFFFAOYSA-N 438.490 4.520 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1636631490 MYLRCQNOZHIIIG-PMACEKPBSA-N 443.588 4.627 30 10 IJEE C#C[C@@H](C)N(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1639772540 NXYVHLRNXCGCGH-BCHFMIIMSA-N 438.527 4.747 30 10 IJEE C=CCOCSc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1C[C@H]1CCCO1 1640689641 WDOCRGJSQPVMHK-QGZVFWFLSA-N 428.579 4.865 30 10 IJEE N#Cc1ccc(SCC(=O)C2(NC(=O)C(F)(F)F)CCCCC2)cc1C(F)(F)F 1641028152 DZGYUNXLCAGGJZ-UHFFFAOYSA-N 438.393 4.620 30 10 IJEE CCOc1ccccc1Oc1ccc(CNc2ncc(C#N)cc2Br)cn1 1642095170 APHKGAQESUDWQL-UHFFFAOYSA-N 425.286 4.914 30 10 IJEE C#CCN(C(=O)c1cc(Cl)cc(Cl)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 1644789352 DUBZOHXFQJTKNX-UHFFFAOYSA-N 429.319 4.607 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c(Cl)c1 1645997906 SVOXDAHLVIOOBT-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(F)c2)nnc1-c1ccccc1OC 1651596797 NQZICQIRBLIWQM-UHFFFAOYSA-N 432.908 4.663 30 10 IJEE CN(Cc1c(OCc2ccccc2)ccc2ccccc12)[C@H](C(N)=O)c1ccc(C#N)cc1 1655726167 CXMQSOOMBRMTFM-MHZLTWQESA-N 435.527 4.949 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3sc4c(c3c(=O)n2CCC(C)C)CC[C@@H](C)C4)C1=O 1656101218 ZMQJVXPZJHXPIX-NVXWUHKLSA-N 445.654 4.508 30 10 IJEE CCCN(Cc1ccccc1Br)S(=O)(=O)c1ccc(C#N)cc1Cl 1661084650 GKPOBMNRYPKIRG-UHFFFAOYSA-N 427.751 4.575 30 10 IJEE C=CC(C)(C)CCCNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1665919902 NDYVZZMDEMESRY-BJKOFHAPSA-N 444.616 4.706 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1 1666705295 JDVHMPAVVULRFH-UHFFFAOYSA-N 440.531 4.577 30 10 IJEE Cc1ccc(Cc2sc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)nc2C)cc1 1670701235 GDMPZCVHFVJTFR-UHFFFAOYSA-N 445.592 4.967 30 10 IJEE C#C[C@H]1COCCN1C(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1672569403 AXQINAVXFDMCFG-KRWDZBQOSA-N 431.355 4.607 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)CC1 1673996159 DLHYSIVJDGYJIU-SAIGFBBZSA-N 447.579 4.784 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCC[C@@H]3c3ncc(Br)cn3)cc21 1674685340 UKHUGHOWPCRQAO-QGZVFWFLSA-N 441.333 4.534 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 1676315992 HELPYFMTAXITQN-HNNXBMFYSA-N 427.998 4.889 30 10 IJEE C#C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)C1 1676572755 WIHLXVZAKDLICT-KNQAVFIVSA-N 445.563 4.762 30 10 IJEE C#CCN(C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1)[C@H]1CCCc2ccccc21 1678504783 OKKZUGYVFBPXEP-PKTZIBPZSA-N 449.620 4.524 30 10 IJEE C#CCC1(NC(=O)N[C@@H](c2ccc(OCC)cc2)c2cccc(Cl)c2)CCOCC1 1680826996 PVZLEAHLOHZQNO-QFIPXVFZSA-N 426.944 4.700 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1683107456 ZRUQWBOQYKYDJU-UNMCSNQZSA-N 429.605 4.900 30 10 IJEE C=CCCC1(CNC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CCCC1 1683984787 JUQJSGANLVCVNP-RBUKOAKNSA-N 443.554 4.878 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1685852910 ROCJHCUAEATUGW-JXFKEZNVSA-N 427.342 4.987 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1686740328 ITSPMQRVHFJUDA-DXBBTUNJSA-N 427.589 4.509 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@@H]1CCSC1 1689879630 CDVPLAWLIGLKBW-QGZVFWFLSA-N 433.419 4.761 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1ccco1 1689906756 SBGLDUOZNZFKPI-OALUTQOASA-N 441.576 4.944 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1689976815 ZBNMMQZNEICXEF-UHFFFAOYSA-N 435.597 4.569 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCC(F)(F)CC1 1690093781 JPJIBBCHWZUCDW-NRFANRHFSA-N 430.543 4.732 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(C)(C)C)C1 1690182533 BISURIKUYUOAFJ-FQEVSTJZSA-N 426.630 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690422382 NAMMDRSKRJGYQA-WOJBJXKFSA-N 430.980 4.585 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCc2cccnc21 1690515762 SVZCWBTVFFPSLB-PZJWPPBQSA-N 447.583 4.954 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@H](F)C1 1690601220 USCOJUYSQWCNMY-AEFFLSMTSA-N 449.368 4.936 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)Cc2cccs2)C1 1690694359 NBVALAIENDLEEE-OALUTQOASA-N 438.597 4.675 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1690749547 HPRJCPPAOQUNIZ-UHFFFAOYSA-N 439.629 4.663 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@@H](C)C1 1695728437 BLDSTEJQIVZRPO-HXUWFJFHSA-N 448.640 4.679 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cn2ccc3ccccc32)n1CCSC(F)(F)F 1698495165 IEWRJGWCKBMSOZ-UHFFFAOYSA-N 448.518 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCSC1(C)C 1705592657 PUSSZCFGCZLQOD-INIZCTEOSA-N 430.980 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@H](c1ccccc1Cl)N(C)C 1705675849 CWMAMDYHGJGUPC-WIOPSUGQSA-N 440.035 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1705717737 QLYGYGQUSKEWII-OAQYLSRUSA-N 449.555 4.816 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CCC)C1 1705727579 OGSSAYBYTLTTDK-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705730850 OMJBLTLDRZNGTK-HSZRJFAPSA-N 449.599 4.646 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1705770579 LTJJXVLYZISUHV-FQEVSTJZSA-N 431.625 4.717 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(=O)OC)C1 1705786605 TUOPOOFKJMFEJJ-WOJBJXKFSA-N 440.588 4.637 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 1705789816 XZEGWEWKHRLTPE-UHFFFAOYSA-N 434.588 4.511 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1705821293 QSLLRGYXWZTELY-HNAYVOBHSA-N 429.615 4.628 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1cccn(CC)c1=O 1705865676 QOFXBNORSAGFRI-UHFFFAOYSA-N 449.555 4.568 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C 1705877548 ACECYRMGMAKBLT-GJZUVCINSA-N 438.616 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1CCc1ccc(Br)cc1 1705884579 SDIJQKUIUGTDQG-UHFFFAOYSA-N 433.394 4.580 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1705889173 SRJMYPZHLLLLDB-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705892173 HQAOBLAUWKFRHN-HSZRJFAPSA-N 437.632 4.752 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccccc1C 1722283068 TZINMJMMWRRXFO-IEBWSBKVSA-N 434.609 4.977 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C=C)CC1 1722311852 LVNFKCNEFJSRKW-UHFFFAOYSA-N 443.389 4.922 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC(F)(F)C1 1722467257 PLESHMDRAOQSLC-DRSNIGMVSA-N 432.490 4.985 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(Cc1ccnn1C)C1CC1 1722529203 WBZDFKWBOKVPQD-UHFFFAOYSA-N 448.615 4.738 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722611737 BBCNBICTFZEHFD-HSZRJFAPSA-N 437.632 4.510 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722613131 UELYASYIAZTHCB-RXVVDRJESA-N 439.604 4.823 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(F)(F)C1 1722622598 PKXXWYRPDRLBAD-UHFFFAOYSA-N 441.526 4.791 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CCc1nc(C)c(C)s1 1722659207 RQQHENWFIWJHBO-UHFFFAOYSA-N 444.608 4.773 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1Cc1cccc(C(=O)NC)c1 1722663513 ZONCREHHFYLYEI-UHFFFAOYSA-N 449.624 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)N1CCC(C)CC1 1722666247 MDKDEPZBYNEJQN-NRFANRHFSA-N 430.600 4.792 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC(F)(F)C1 1722673559 WHWVZHFWPWNQRW-LEWJYISDSA-N 430.543 4.843 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(CCC(C)(C)C)CC1 1722684093 RIOHXSGKGVSLMY-UHFFFAOYSA-N 449.599 4.861 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1CCCCO1 1740541633 DFEQRMIHKPPIMD-WBVHZDCISA-N 449.368 4.654 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CC[C@@](C)(CC)O1 1740642112 RMXHBLCOMUIFDS-WXVAWEFUSA-N 448.611 4.709 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1(N(C)C)CCCCC1 1740648579 INSKSLMGOITLHI-DEOSSOPVSA-N 431.628 4.547 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1Cc1ccc(Cl)s1 1740677232 HABKGKWPWFQQNZ-UHFFFAOYSA-N 437.931 4.882 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CC1(c2ccccn2)CCC1 1740777002 JYGGKNNDALRAFI-UHFFFAOYSA-N 435.547 4.916 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2c(C)noc2C)CC1 1740832702 GRRDXIPBRVOTLE-SFHVURJKSA-N 439.535 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740846951 RTMCUCDAKCXKOC-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 1740875856 LDUONHOTUZAKEB-RBUKOAKNSA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1CC1CC2(CCOCC2)C1 1740916813 YDNHCVBROJKDRU-UHFFFAOYSA-N 433.600 4.748 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCSC1(C)C 1740920899 IBCHPZITWBVAMA-LJQANCHMSA-N 440.592 4.542 30 10 IJEE Cc1cscc1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C[C@@H](C)C#N 1742541380 FDPUUQOOERRSOS-LBPRGKRZSA-N 448.365 4.861 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1748703236 XRQSJHSBIWMWLA-RHSMWYFYSA-N 426.870 4.558 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1748703392 ZUHVTKDUHUNNHY-UHFFFAOYSA-N 442.489 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC[C@H](C)N1CCCCC1 1748902793 UEYFZOIFQSYXJW-QHCPKHFHSA-N 449.668 4.606 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1749200403 DUDDMNXIJFPRNX-UHFFFAOYSA-N 435.403 4.615 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1749383452 XOOJIBSRNXVYDW-WIYYLYMNSA-N 447.549 4.978 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(CC2CCCCC2)CC1 1749451654 CCIQFFQBRUIRFT-UHFFFAOYSA-N 437.632 4.549 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCOCC1(C)C 1749563575 KXIPMEXVJNZFFC-UHFFFAOYSA-N 437.632 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC(F)(F)CO1 1749582344 JYBVMCFFDXVEQC-INIZCTEOSA-N 440.947 4.826 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCC[C@H]2C)C1 1749696114 QCZALWORZHUWSB-IMFGXOCKSA-N 432.515 4.764 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCC)CC1 1749746949 QPSYXBBMNCUVPL-NRFANRHFSA-N 425.602 4.521 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CC(C)C)C1 1749755549 JITQVUPATDSLLT-GHTZIAJQSA-N 428.602 4.582 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCCC2(CCCC2)C1 1749760163 DMHNXKTXDNDXFI-UHFFFAOYSA-N 426.630 4.979 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(C)(C)OC[C@@H]1C 1760275638 CQFCYXOZMLMJFS-IRXDYDNUSA-N 444.670 4.502 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1760369694 SELHFTWVOFTDRD-SFHVURJKSA-N 444.023 4.637 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760385760 XGHDINHLQMRFDC-QGZVFWFLSA-N 448.398 4.667 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760421785 ATXPWEGVULJXSR-FQEVSTJZSA-N 427.980 4.546 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760446570 WBHLUMQKODVZJJ-GMAHTHKFSA-N 438.616 4.841 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1Cc1cc(C(C)(C)C)no1 1760483223 JKXYVINFFFDRQT-UHFFFAOYSA-N 434.519 4.939 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1conc1COC 1760485556 IHYQPTYYHYULLS-UHFFFAOYSA-N 439.516 4.521 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCc2cccnc21 1760492283 NJVKTNDLOJVWAU-HXUWFJFHSA-N 445.567 4.656 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2[C@@H]2C[C@H]2CCC)C1 1760537194 KYNGXICAXYHBPB-SIXWZSSISA-N 449.368 4.989 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ncccc2C)C1 1760538355 CTVATQGLGYKLJD-QFIPXVFZSA-N 431.584 4.776 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1760568082 XIPPEWYPEPAUDL-UHFFFAOYSA-N 449.624 4.539 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760569530 QZIKYRYZOYZTLD-HSZRJFAPSA-N 448.608 4.557 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)n1 1762214116 DDKDVQRUZXTSMC-SJORKVTESA-N 436.585 4.534 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1)OC 1763464262 FLTACEBCSYYWTA-WMZHIEFXSA-N 439.604 4.665 30 10 IJEE CCC[C@@H]1C[C@H]1n1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1764654223 IEUHVHKGFMPXJI-FOWVLEKCSA-N 427.524 4.620 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)cc1OCC 1860728190 AZBJAAAHEBOPMM-CSKARUKUSA-N 437.414 4.994 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccccc2Br)cc1OCC 1860728984 QKKIZFMJXRZRMX-PKNBQFBNSA-N 432.314 4.858 30 10 IJEE CCCOC(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(OCCC)c(OCC)c2)cc1 1860729133 YIRRZWBQEMZZKP-NTUHNPAUSA-N 439.508 4.662 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1862151495 BYWTYBSQELGWCN-UFSNDUKISA-N 443.374 4.935 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(O)c2)cc1C 1862400536 HCKUXGHUCXSHTR-UYGSHGSRSA-N 435.520 4.866 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC)cc1OCC 1862423409 BHOJDZJYRMJATR-OAQYLSRUSA-N 445.462 4.751 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(O)c1 1862444038 WOIQKBSAJDBZKC-NRFANRHFSA-N 443.927 4.831 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862492408 QSBCFQWIBSVDOL-HSZRJFAPSA-N 435.520 4.929 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(=O)O)cc2)c1 1862492908 CPLAYVZJPWAWCU-NRFANRHFSA-N 447.512 4.842 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)cc1 1862517196 HMHXJLAIFYXHSU-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(O)c1 1862523460 IFZKRPQLNXIKKX-IBGZPJMESA-N 444.325 4.923 30 10 IJEE CN1CCCc2cc([C@@H]3C(C(=O)c4ccc5c(c4)CCCC5)=C(O)C(=O)N3C3CC3)ccc21 1862554136 WDRBKYFNVRTIHT-RUZDIDTESA-N 442.559 4.689 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2c(F)cccc2Cl)c1 1862560205 CEFALNVTWSFDDC-HXUWFJFHSA-N 428.891 4.972 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1F 1862675543 NPBOSQQAELSARR-OAQYLSRUSA-N 447.453 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 1862746399 FRNXEECKQQTARS-OAQYLSRUSA-N 436.464 4.602 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2)cn1CCCCCC 1870758724 RCUIPTFPISWSRO-UHFFFAOYSA-N 437.584 4.620 30 10 IJEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc(F)c(F)c2)cc1=O 1870812601 FSTDXSFZGWLZLP-JOCHJYFZSA-N 446.881 4.690 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871370684 ZFZNYQJJSYIGEF-UCQKPKSFSA-N 430.456 4.913 30 10 IJEE Cc1c(OCCN2CCOCC2)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871449574 QUIWVVQNGPRSPR-XHPQRKPJSA-N 441.527 4.989 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)CCCC 1872492099 UJKRYUHHOXVIQJ-LJQANCHMSA-N 447.066 4.717 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4Cl)CC3)cc2)cc1 1872884675 PKFFMXUVBYGUHE-UHFFFAOYSA-N 430.939 4.786 30 10 IJEE COc1cccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cc(C)ccc3C)C2=O)c1 1873217210 CCYJSCOASLNNSN-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccc1OC(C)C 1874296621 KHTMMOKXPNXJTO-HZHRSRAPSA-N 437.525 4.725 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2cccnc2)cc1 1874406701 PHDKMBVRJFIONY-BUVRLJJBSA-N 436.541 4.879 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(F)cc1 1874480387 UQOJEZOVBAGIHO-SCELWYEFSA-N 439.560 4.612 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CCC2)cc1 1874497322 FGGALDDYIUVNEX-PMFZIYJTSA-N 447.608 4.960 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874504784 ZRVYXYQWDNBYBA-ZVHZXABRSA-N 440.569 4.739 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874611929 XZKTUQLESLBGSO-OCKXMSAZSA-N 445.515 4.856 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cnccn1 1874702239 LSMPYBCGCOGANZ-QHHAFSJGSA-N 429.259 4.907 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2)cc1[N+](=O)[O-] 1875120273 LHXGGUGQRYLCCJ-ONNFQVAWSA-N 439.370 4.997 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)[C@H]1CCCO1 1875128671 OMEJXCXPPBKMSS-GNISGLHKSA-N 445.309 4.828 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1 1875181179 RISYIDDVSQYBEM-ZEZYUPADSA-N 445.855 4.546 30 10 IJEE Cn1nc(-c2ccc(C3CCCCC3)cc2)cc1C(=O)NCC#CCN1CCCCCC1 1890409439 IQNYWINKCYSYTD-UHFFFAOYSA-N 432.612 4.744 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(F)cc1Br 1898224650 LCLIYSJHRJDTLA-ROUUACIJSA-N 427.358 4.936 30 10 IJEE C=CC[C@H](C)OC(=O)c1cc(I)cc(NC(=O)OC(C)(C)C)c1 1899405513 GSDRCPBBFAFZIK-NSHDSACASA-N 431.270 4.760 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912211212 UBERCLSSUPMUJF-IERDGZPVSA-N 436.557 4.901 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)C[C@@H](C)C#N 1963187427 BZJDFFAQDHKKLD-XHNVNVPESA-N 447.579 4.948 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)C(F)(F)F 1983329116 GLGBCRLUTDTDCB-LQWHRVPQSA-N 429.479 4.556 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CCN2C(=O)OC(C)(C)C)c1 1999884384 UAOUQOSXEFINBR-JPYJTQIMSA-N 431.533 4.728 30 10 IJEE C#CC[C@H](C[C@H](NCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2020095669 ZVZXDPCEAQMKLN-UQAQOTMJSA-N 428.617 4.903 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@]2(C)C1 2052773461 DJCMYWBGIYDPIB-KNXBSLHKSA-N 448.568 4.853 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2078847148 PBOOHXRXLKLIGW-DVECYGJZSA-N 445.560 4.976 30 10 IJEE Cc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079041805 ZAYIMEZTBFDGIT-CYBMUJFWSA-N 433.215 4.932 30 10 IJEE COc1ccc([C@H](n2nc(C)c(C=NO)c2I)C(C)(C)C)cc1C 2079933844 RUJQXCAFOWUALR-INIZCTEOSA-N 441.313 4.557 30 10 IJEE CC(C)N(C[C@H]1CCCN(c2cc(Br)cnc2C#N)C1)C(=O)OC(C)(C)C 2174709313 DLWGQIFWAFJIED-HNNXBMFYSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](Nc2ccc(C#N)c(Br)c2F)C12CCC2 2175032620 UZQANIYDVYULPL-ZFWWWQNUSA-N 438.341 4.955 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2200693455 NBLVYGBKEKTDJZ-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C2(Oc3cc(Br)cnc3C#N)CCC2)CC1 2205163532 RNMQMFVVENNSGF-UHFFFAOYSA-N 436.350 4.664 30 10 IJEE CSCC1(NC(=O)OC(C)(C)C)CC(Nc2cc(Br)ccc2C#N)C1 2222996792 FINNPZPQXNKBCJ-UHFFFAOYSA-N 426.380 4.522 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)C#Cc2ccccc2Br)C1 2235735634 ZIDBOTHSJORXGZ-KRWDZBQOSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@@H](O)C#Cc3ccccc3Br)(C2)C1 2235740349 OEJSFXTXUPMZDO-XWFZLUIHSA-N 434.374 4.589 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)OCCC(=O)O 2261827066 FPFWUIKIABNRIA-SQJMNOBHSA-N 447.572 4.799 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 2296928112 QVBCIMMCPPVYJW-QFIPXVFZSA-N 449.890 4.984 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2305317326 ULZWMXXCDPEDHW-DNRQZRRGSA-N 428.573 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317310915 HZZLLUPQMXDBAN-GOSISDBHSA-N 429.370 4.538 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C2CC2)ccc1OCc1ccc(Cl)cc1 2321888603 ZVACIHLUGDKEFJ-UHFFFAOYSA-N 428.945 4.958 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c(OC)c1 2322781649 LWWGGFSCARDEKL-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1F 2323202411 QHSXEYODGGTDJZ-SFHVURJKSA-N 433.479 4.987 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2324465005 KZHAIGUGHLIIDM-HNNXBMFYSA-N 433.435 4.857 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1F 2324627920 CKKPPJGYACLKGB-INIZCTEOSA-N 438.480 4.865 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 2325702860 AHZRTCNDOGBKTK-UHFFFAOYSA-N 432.167 4.708 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1C 2325714221 ZCFHONCLJUUADW-UHFFFAOYSA-N 445.309 4.986 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(O)c(OCC)c2)cc1 2327358480 ZJNWPSWRDUHBCY-UHFFFAOYSA-N 440.569 4.908 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc(OC)c1OC 2328906979 OVPXKIJSELCERF-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccnc2)c1 2330531755 KVRURTRZYXRJKK-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(OC)c3)c(OC)c2)c1 2330777832 UAMCOIRPSHGZRK-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331104180 GOCKMAYEFUVCKK-NRFANRHFSA-N 428.431 4.682 30 10 IJEE COCCc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Cl)ccc1O 2331292756 CVDHQRFYYAHWQJ-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccc(C(=O)OC)o2)cc1 2331450960 WYNGVAPRVPUOPJ-UHFFFAOYSA-N 426.542 4.593 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3cccc4ccccc34)cc2[N+](=O)[O-])cn1 2331473907 NHWHRDKMFKJDEZ-UHFFFAOYSA-N 439.427 4.962 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cc(C)ccc2O)c(C)c1 2331715238 XBVADVHZDBDMKV-UHFFFAOYSA-N 437.569 4.645 30 10 IJEE CCC1(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339581611 LKJXZHIYZKNOFA-OUKQBFOZSA-N 443.397 4.785 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360197262 IZPIBGLBWWOISR-LWYYNNOASA-N 433.390 4.567 30 10 IJEE CN(C[C@H]1CN(c2ccc(C#N)c(Br)c2F)CC12CC2)C(=O)OC(C)(C)C 2366104590 OBFLHFPTZHGIJC-AWEZNQCLSA-N 438.341 4.543 30 10 IJEE Cc1cc(CN[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369618291 JFNUJSYDYJQAQM-PHTYHVAFSA-N 448.460 4.540 30 10 IJEE N#CCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccccc1 9407721 ORTVDRMPOLJUCC-UHFFFAOYSA-N 442.949 4.916 30 10 IJEE Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)Nc4c(C#N)cnn4C)c23)cc1C 16893080 OPPDVJKAQOFHEN-CQSZACIVSA-N 448.577 4.700 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(F)c(F)c2)Nc2ccc(C)cc2)c1C 32971998 FGRNHGHZWUPHMY-UHFFFAOYSA-N 425.483 4.505 30 10 IJEE COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c(OC)c1 33321204 GWHHDIOBXROPDD-FATZIPQQSA-N 432.476 4.664 30 10 IJEE CCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(F)cc3)c2O)cc1 38623738 GFVYYOVIRJJYAO-UHFFFAOYSA-N 448.494 4.721 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 41358319 NEXXAUZXSNZXJW-QFEZKATASA-N 439.467 4.951 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 63394631 KRDWIXISVNAJQE-UHFFFAOYSA-N 436.512 4.796 30 10 IJEE COc1ccccc1OCC#CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 90729932 TUFHEFTWSSSCNI-UHFFFAOYSA-N 431.332 4.545 30 10 IJEE Cc1ccc(Nc2oc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)nc2C#N)cc1 97427027 GKKDYADDLUUEFO-WOJGMQOQSA-N 432.530 5.000 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 169964425 SJDPRZIIBKKUEN-HSZRJFAPSA-N 431.463 4.872 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccncc2)c1 170014679 CFBGZHVKOYXLEY-QHCPKHFHSA-N 439.471 4.745 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2)c1 170047713 JNGBDTLMNHPHLF-FQEVSTJZSA-N 434.517 4.942 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@H]1c1cccc(OC)c1 170120632 AZPFOEJEVHSCBZ-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1OC 170125805 XWMYPZNOBVXUCY-HJPURHCSSA-N 435.520 4.787 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140590 GESFBWWOQGVEDF-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)cc1 170141362 OTHMHVBDONASKD-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1cccc(C)c1 170147050 WRIQACDBYHADPF-HXUWFJFHSA-N 429.900 4.654 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccc(F)cc4)[C@@H]3c3cccs3)ccc2O1 170167097 WTCIECARUDKTBB-RCDICMHDSA-N 449.503 4.989 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2)c1 170241348 IUMHZLUAPREXBL-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170261320 BHXNUWFDIPVWQY-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1CCOC(C)C 170270441 PQCVTURILDALDB-QHCPKHFHSA-N 437.536 4.786 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2C)ccc1OC(C)C 170273801 MCXCVWLMEYCZCW-YKSBVNFPSA-N 449.547 4.848 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2C)c1 170275000 UFXIIQYVPPOIJI-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305304 UXHXAYPBBAWWFM-NPMXOYFQSA-N 440.455 4.566 30 10 IJEE C=CCn1c(SCC(=O)NCCC)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 196460142 IGASKTLFPWWREF-MRXNPFEDSA-N 432.659 4.962 30 10 IJEE COc1ccc(/C(O)=C2/Oc3ccccc3C2=NC(=O)c2ccc(OC)c(OC)c2)cc1 254869528 KEDTVQLOSWJXEM-LLGGPKASSA-N 431.444 4.661 30 10 IJEE C=CCn1cc(Nc2cccc(Cl)c2)n(CC(=O)c2ccc(OC)nc2OC)c1=S 334162416 NPVLJEYJABLXBX-UHFFFAOYSA-N 444.944 4.897 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 429841574 DTLDEWMJOUBXFY-UHFFFAOYSA-N 435.325 4.643 30 10 IJEE Cn1cc([C@@H](NC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)C(F)(F)F)cn1 446416950 ZXIJVURVAQDERO-CYBMUJFWSA-N 446.298 4.508 30 10 IJEE CC(=O)Nc1sc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)nc1-c1ccccc1 479357871 IAIOHMHTIUCWMW-FQEVSTJZSA-N 434.521 4.682 30 10 IJEE C=C(C)Cn1c(S[C@@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccncc1 489417764 ZRJRUJHALKIWAH-INIZCTEOSA-N 437.594 4.536 30 10 IJEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508830010 WXFWRIBDVVNVPY-UHFFFAOYSA-N 428.458 4.520 30 10 IJEE C=CCn1c(N2C[C@H](c3ccsc3)O[C@H](C)C2)nnc1C(F)(F)Oc1ccccc1 508938554 KQOWUKZUXHVUAE-CRAIPNDOSA-N 432.496 4.620 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OCCC(C)C)CC1 514719515 FXGZJCDFMIMTOL-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CCn1c(SCC(=O)NC(C)(C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 515308797 DFMMYSIGTYKYPX-UHFFFAOYSA-N 445.585 4.765 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)ccc1OC 526487269 WIBVITJANQKYFM-QHCPKHFHSA-N 430.460 4.924 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(OC)c2OC)c1 526606505 LHLXFLJXPAQAKK-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE CCOc1cc(/C=N\n2cnnc2SCc2ccccc2)cc(Br)c1OC 526799702 JXTMTPIVEADRMX-JJFYIABZSA-N 447.358 4.622 30 10 IJEE N#Cc1ccc(-c2nnc(N3CC[C@]4(C3)OCc3ccccc34)n2Cc2ccccc2)cc1 549155941 STXBJSUOJLIZCM-HHHXNRCGSA-N 433.515 4.501 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 549264999 YPMAGPHXSRFLKY-JKSUJKDBSA-N 449.368 4.676 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 559005606 QAQAVLHKDFLPSI-OAHLLOKOSA-N 435.475 4.642 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1OC 609296584 NSVYEXHBWNGRDJ-MRXNPFEDSA-N 432.480 4.515 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)Nc2ccccc2)cc1 732179114 AQEGARZEEGQBMH-UHFFFAOYSA-O 433.557 4.552 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(OCC)c1 743739635 XAZIOAVJFMODJT-JOCHJYFZSA-N 449.576 4.686 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 743747020 AOQWXUSFDCQXCY-QHCPKHFHSA-N 435.568 4.821 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 744839911 LNTXXRLOVNNXDM-DJJJIMSYSA-N 435.307 4.839 30 10 IJEE CN(C)c1ccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)c2c[nH]c3ccccc23)cc1 780816027 SUQFUEBOJXUNAZ-QFIPXVFZSA-N 429.568 4.701 30 10 IJEE C=CCn1c(SCC(=O)OCc2ccc(C#N)c(F)c2)nnc1-c1ccc(Cl)cc1 791243640 VJMVJHTVKLRVKO-UHFFFAOYSA-N 442.903 4.631 30 10 IJEE Cc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)c1 1083991986 BOAXREBFSQCNCV-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE CC[C@@H](C)NC(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084302583 PFKPGOUTBBRQGN-OAHLLOKOSA-N 432.553 4.564 30 10 IJEE C=COCCSc1n[nH]c(NN=Cc2ccc(OCc3c(C)cccc3Cl)o2)n1 1084524460 UVKUNVRHWAKCRU-UHFFFAOYSA-N 433.921 4.637 30 10 IJEE C=CCSc1nc2ccc(NC(=O)CSc3n[nH]c(NN=C(C)CC)n3)cc2s1 1084565631 QKSPQXMYAYHVGH-UHFFFAOYSA-N 447.615 4.621 30 10 IJEE C=CCN(C(=O)c1nc(C)cc(C(F)(F)F)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124414045 WLVPSAMGEXUMSO-UHFFFAOYSA-N 449.414 4.668 30 10 IJEE C=CCC1(CNC(=O)c2cccn2-c2cccc(I)c2)CCCC1 1128963568 HGZKPFMHCHONCD-UHFFFAOYSA-N 434.321 4.948 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1130029758 DJJPNLXIGKBMAC-HSZRJFAPSA-N 447.601 4.864 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1136098808 LVABBLNVIZGJMW-FQEVSTJZSA-N 425.367 4.614 30 10 IJEE C=CCN(CCc1ccco1)C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1137857137 QQMZJVOOPNHLSS-UHFFFAOYSA-N 435.471 4.834 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)c2cc(Br)cnc2O)cc1 1140804113 DGGZLUMKMNMXGX-UHFFFAOYSA-N 426.295 4.825 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)c1 1151179672 VQBFMAXFTOBFII-GOSISDBHSA-N 435.520 4.781 30 10 IJEE C=CCC1(C(=O)N2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCCC1 1161787692 YZIGXIFNBHNHIE-RTWAWAEBSA-N 434.621 4.824 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)CCCCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164417677 BJQFBMXZFWMXMU-JKSUJKDBSA-N 447.670 4.946 30 10 IJEE C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(OCc2ccc(F)cc2)cc1 1186556847 HVGRBTIUQKGVPA-GOSISDBHSA-N 430.545 4.859 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)c1 1198362873 PNYJUJMUGYDQKG-UHFFFAOYSA-N 435.886 4.712 30 10 IJEE C[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 1217730550 DYEACWGWBZLIBL-GOSISDBHSA-N 436.604 4.673 30 10 IJEE CCNC(=O)COc1ccc(NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)cc1 1218049449 FRMFSYHHMBLYPD-UHFFFAOYSA-N 446.532 4.868 30 10 IJEE Cc1ccccc1Oc1ccccc1CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1221832650 HBIHMIRFESBFIX-UHFFFAOYSA-N 444.510 4.830 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccccc2Sc2ccccc2)CC1 1227134891 FLKDFPJZRUYAPZ-UHFFFAOYSA-N 446.551 4.880 30 10 IJEE C[C@@H]1[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)NCCc2ccc(C#N)cc2)CCC[C@H]1C 1252977381 IDADPZQDBQLPDW-MSYCTHLASA-N 433.552 4.866 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c1 1264919506 VTESTGVIENAXQY-UHFFFAOYSA-N 436.489 4.892 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2cccc(F)c2)c1CCC)c1ccc(Br)cc1 1275474120 KWNCCEKFIFJQOA-FQEVSTJZSA-N 440.316 4.831 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@H]1C(C)C 1286277503 ZFKASEJKZYNRPD-WMQCIHAUSA-N 449.624 4.896 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H](C1CCCCC1)N(C)C 1286458339 QOODBPIIQOIZEQ-XMMPIXPASA-N 439.623 4.766 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1286639131 YJGBDOXXLGTTPN-LPHOPBHVSA-N 448.409 4.643 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1286663010 DLYCOFDOHDWZND-GOSISDBHSA-N 436.478 4.521 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1nccs1)c1ccccc1 1286680627 ZBKUZBWMOOMMLS-OAQYLSRUSA-N 430.581 4.717 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286690272 GANLEIYKTGTOCK-NVQXNPDNSA-N 438.616 4.584 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(CC)(CC)OC)C1CC1 1286738732 BCBODWUSLKOTJB-IBGZPJMESA-N 447.624 4.710 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1C[C@H]1CSCCS1 1286765786 JXUVWOKWCNHAJH-FQEVSTJZSA-N 432.659 4.688 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)OCC 1287777027 MFDSQPNVKNYEIJ-HXUWFJFHSA-N 436.335 4.652 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccccc3Nc3ccccc3)ccc2c1=O 1295418537 FYFBCWHPPFQGPW-UHFFFAOYSA-N 428.517 4.867 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1296893298 YPMUCISPHWQPHO-QHCPKHFHSA-N 437.584 4.769 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](CCC)C1 1300349167 WMKGTFFZPLVABM-KRWDZBQOSA-N 449.368 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(C)(F)F 1300591817 WZCGSBPRINJCGZ-UHFFFAOYSA-N 441.309 4.672 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1301095959 RXEZLKWYMPLXSE-URXFXBBRSA-N 449.599 4.726 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCN(C)[C@H](C)CC)CC1 1301109150 GDRBRZCFCSEJEN-HXUWFJFHSA-N 432.616 4.934 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1301207058 OZWJFDJSLWQSOV-KRWDZBQOSA-N 443.020 4.904 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1301246559 UNJMPXJAODWIEV-UHFFFAOYSA-N 436.581 4.699 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)[C@H](C)CC)C1CC1 1301317749 XYCYPZOXTQFODW-BFUOFWGJSA-N 439.423 4.721 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC[C@H](C)N1CCCCC1)C1CC1 1301330248 JCEPKLFZIVEGCN-SFHVURJKSA-N 429.559 4.566 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)c1ncc(C)s1 1301405656 VFMISWFSFWQACD-JXFKEZNVSA-N 437.569 4.538 30 10 IJEE Cc1csc([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)n1 1304616869 CIQPFFCNGXWXCI-DJIMGWMZSA-N 442.564 4.864 30 10 IJEE COc1ccc2cc(CN(C)C(=O)COc3ccc(Br)c(C#N)c3)ccc2c1 1307405553 BQRQZAAQJHBEKX-UHFFFAOYSA-N 439.309 4.520 30 10 IJEE COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(Oc2ccc(C#N)cc2F)CC1 1307748253 DZOSZBJAKCBGPI-FQEVSTJZSA-N 437.298 4.762 30 10 IJEE C=CCn1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cc2)CCCC3)nn1 1352705601 WQUKYNLMBATICZ-UHFFFAOYSA-N 426.929 4.541 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCSC1 1358981851 ACJYUCXUJCKQTP-OAQYLSRUSA-N 436.625 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1359068945 VLWSQJLVWSFOHK-RPLLCQBOSA-N 442.611 4.506 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CC=CCC1 1359104689 FCNSESIKVPXOBA-ISBRNDMJSA-N 442.648 4.970 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)SC 1359112640 PCDNXWIPKZGKJA-QGZVFWFLSA-N 437.654 4.547 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1359165951 ANUBORUYISAWRY-CJFMBICVSA-N 425.596 4.675 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(SC)cc2)CC1 1359166758 GHKJPFFZRMNARF-UHFFFAOYSA-N 425.627 4.755 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359208092 FPVCYGASMBWPNA-QUCCMNQESA-N 435.538 4.859 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1cccc(F)c1 1359268522 SRLODVYIJIZEME-MRXNPFEDSA-N 427.911 4.779 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CCN(C)C(=O)OC(C)(C)C 1359274174 DRBSEIOAPUCZDM-UHFFFAOYSA-N 427.593 4.504 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)S[C@H](C)C1 1359338264 QEOBDWQVTSNODI-CALCHBBNSA-N 440.642 4.585 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1359341363 USPFLDRNLLTFMZ-QFIPXVFZSA-N 448.640 4.673 30 10 IJEE C=CC[C@]1(C(=O)N2CCCc3cc(OC(F)F)ccc32)CCCN1C(=O)OC(C)(C)C 1434878355 QAUQGNZSDAJWNS-HSZRJFAPSA-N 436.499 4.913 30 10 IJEE C#CCN(C(=O)CCCCCc1ccc(I)cc1)c1nccs1 1435398592 BKGIHKTWECINHY-UHFFFAOYSA-N 438.334 4.517 30 10 IJEE C=CC1(CC(=O)NCC2(c3cccc(F)c3)CCCCC2)CN(C(=O)OC(C)(C)C)C1 1442121414 MGQFOEDEUCMLHK-UHFFFAOYSA-N 430.564 4.957 30 10 IJEE COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)C2 1451637486 DIUWNDXEBHXGII-UHFFFAOYSA-N 442.515 4.959 30 10 IJEE C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 1456724219 BSUUGIDTBPEEQV-MRXNPFEDSA-N 433.508 4.919 30 10 IJEE CCCn1c(C)c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c2cc(OC)ccc21 1458832753 CIBMAOGIVRAKOF-UHFFFAOYSA-N 431.471 4.817 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OCC(F)(F)F)cn1 1460782196 YYSQXBJYGYZODA-UHFFFAOYSA-N 431.208 4.602 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)c1ccccc1 1463270901 LIYNVJVRBFMGNV-GOXGLGGOSA-N 448.588 4.763 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1C)c1ccc(F)c(F)c1 1463553655 MQXUVVKJXFYICY-QGZVFWFLSA-N 434.277 4.771 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCOc1ccc(Cl)cc1 1466816928 PXOTYESRBBXGPI-UHFFFAOYSA-N 425.710 4.868 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1c(F)cc(I)cc1F 1466843895 PKXKYCWYZYSNIK-UHFFFAOYSA-N 428.220 4.790 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1ccc(F)c(F)c1 1469857519 UORQAHQYBDDCFZ-RTBURBONSA-N 437.531 4.917 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(Cl)cc(COC)c2)c1 1474922901 IXLOWYQIBAFKHX-UHFFFAOYSA-N 431.966 4.925 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2sc3ccccc3c2C)cc1 1475973854 PBYWKYMEXAACRK-MRXNPFEDSA-N 443.594 4.899 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@]3(CN(Cc4ccccc4)C[C@@H](C)O3)C2)c1 1476104636 XNCWPRSRFCNQKU-RLWLMLJZSA-N 435.568 4.539 30 10 IJEE CN(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1476792202 FVGJNWWFNSJNAY-UONOGXRCSA-N 429.380 4.970 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(Br)cs1 1507536312 NKNYGQHDCYTAAT-CYBMUJFWSA-N 449.805 4.853 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCc2cccnc21 1507545176 BTFUDLKYSFLZJI-CTNGQTDRSA-N 431.609 4.852 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cscn1 1507556704 CRIIYJDYLVYLII-UHFFFAOYSA-N 436.404 4.666 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)c1cccs1 1507663900 MLYVDCCHFSQMDT-SANMLTNESA-N 446.620 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)c1ccccn1 1507817465 JBURVPLFWGXNRL-UHFFFAOYSA-N 435.572 4.738 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)c1nc(C)cs1 1507821321 YVYWCJJFZLZANQ-JXFKEZNVSA-N 439.585 4.762 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1507837958 YAQTVWQUWSPMID-ROUUACIJSA-N 448.995 4.668 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1507838087 ZHWNAGXHBVPDIX-PKTZIBPZSA-N 448.615 4.530 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1507868054 WMXQQAPDLCDRHB-UHFFFAOYSA-N 439.844 4.811 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCCN2CCC)CC1 1507888197 KKEJZEFJDQAIKM-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCCC2)C1 1507912689 SCNBWSRYUVKRQY-UHFFFAOYSA-N 439.560 4.995 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1507936448 BQLKKTGKKSKHHO-OAQYLSRUSA-N 432.515 4.812 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(OC)nc1 1507970271 HGBGAJKFGHYFIB-UHFFFAOYSA-N 425.945 4.887 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)c(OCC)c1)C1CC1 1507991559 ZFMWSHDTKODVCR-UHFFFAOYSA-N 439.947 4.604 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)Cc2cccs2)C1 1508111743 IFQZBYPGNHGKJS-QZTJIDSGSA-N 426.561 4.806 30 10 IJEE C=CCN(C(=O)c1cnc(N(C)C)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1523259860 GAUVPFKFJIMPKU-UHFFFAOYSA-N 434.352 4.806 30 10 IJEE Cc1cc(NC(=O)COc2cccc(C#N)c2)c(C(=O)N[C@H](C)c2ccccc2)cc1F 1524039101 ABOCCAUJPCJQCL-QGZVFWFLSA-N 431.467 4.514 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C/c2cccc(OCC)c2)c(C(=O)OCC)c1C 1524509610 QSYCKRCQYWDKJV-VAWYXSNFSA-N 443.521 4.627 30 10 IJEE C=CCn1c(SCC(=O)O[C@@H](C)c2cncc(F)c2)nnc1-c1ccc(Cl)cc1 1525080410 CJPGFCHHFFNUNM-ZDUSSCGKSA-N 432.908 4.715 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1525311476 BUZGQDVJZMPWNH-OYRHEFFESA-N 440.609 4.572 30 10 IJEE N#Cc1cccc2c1CCN2C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 1529512703 IERMSACAFJICNG-UHFFFAOYSA-N 427.291 4.827 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 1530229895 RLEUUCBEVXFTRC-KRWDZBQOSA-N 444.292 4.779 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1 1535302791 NCQUQZVULRBPPE-QHCPKHFHSA-N 436.552 4.615 30 10 IJEE C#C[C@@H](NC(=O)c1nccc2c(Br)cccc12)c1ccc(Br)cc1 1535483688 QAMSPGZFOAISAS-QGZVFWFLSA-N 444.126 4.864 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 1536323658 JCKUPPPPHSSPPX-QFIPXVFZSA-N 427.386 4.843 30 10 IJEE C=C[C@@H](CC(=O)N[C@H](C(=O)OCC)c1c(C)nn(Cc2ccccc2)c1C)c1ccccc1 1537020642 CYIIUKFKRCHNRT-NVQXNPDNSA-N 445.563 4.629 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1539524709 NJRZGDSLBLUQHD-UHFFFAOYSA-N 442.654 4.538 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1539525410 ZMCMVYPURKEFAQ-OAQYLSRUSA-N 445.032 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCCOCc1ccc(OC)cc1 1539563188 IPDMRXJGCCXLMT-AREMUKBSSA-N 436.600 4.618 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCS[C@@H](C(C)C)C1 1539648188 ZXCOYKZWPIGDRW-AKFKNWHVSA-N 440.657 4.622 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Br)s1 1539690884 ATVMVVKSDVFFBY-UHFFFAOYSA-N 428.359 4.853 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCN2CCCCCC2=O)CC1 1539832770 YRVKLTAFKORRMG-HSZRJFAPSA-N 435.616 4.769 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(CC)CC)nc2)CC1 1539891918 NLUSWFBEOHTYAP-UHFFFAOYSA-N 448.590 4.700 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)C)CC1 1539953974 WOONOKKGUHWUAA-IBGZPJMESA-N 432.012 4.958 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1539966175 FZKDVTVZEQTFDX-FPOVZHCZSA-N 430.980 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1540051900 SSYFXODRBZYMHU-GXTWGEPZSA-N 446.315 4.962 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CCCN(C)C(=O)OC(C)(C)C 1540138021 YKKVPJZIDZZXHY-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CCC(C)CC1 1540912211 QEANYJKADCKZKE-UHFFFAOYSA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC)C1 1540916016 RBCVNRNHKUXSJJ-RBUKOAKNSA-N 449.665 4.548 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C 1543285389 VHLGRBNQTVUJOX-AZUAARDMSA-N 436.568 4.985 30 10 IJEE C#CCOCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@@H](C)C3 1559338050 JOLCCYBMFPQMGR-QGZVFWFLSA-N 438.618 4.567 30 10 IJEE C[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 1562155657 FGPQWWNNWOAZSC-SFHVURJKSA-N 431.565 4.516 30 10 IJEE COC(=O)c1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)s1 1562232814 BQMJWGUUENJZHR-UHFFFAOYSA-N 435.505 4.501 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@@H](CNC(=O)Nc4ccc(C)cc4)C3)cc2n1 1563301873 NTNDWXIKFAPWQX-IBGZPJMESA-N 446.555 4.596 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 1563702583 ACGZVRBBYFFCFT-XLIONFOSSA-N 435.406 4.931 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)CC)C3)C1=O 1568184636 ZIPFVQVGXXZXJT-WZONZLPQSA-N 433.596 4.635 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1Br)C(C)C 1585129781 ZBAQDPUBNQHLRC-KRWDZBQOSA-N 449.311 4.776 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)Cc2ccc(F)cc2Br)cc1OC 1586687176 VDJFASGIZXVWGT-POHAHGRESA-N 434.305 4.833 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCOC(C)(C)C 1587719176 VBXLSECWXCSJIB-UHFFFAOYSA-N 439.423 4.824 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1587807413 CQZGBDJYDGRYBQ-DENIHFKCSA-N 442.629 4.808 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(COC)CCCCC1 1588085086 ZFESLPQJVGHZSS-QHCPKHFHSA-N 448.611 4.705 30 10 IJEE C=C(Br)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 1589347113 GAYUFHXZYFAKBX-UHFFFAOYSA-N 444.146 4.602 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCCC 1589496300 XNZVFOHDYIYHDN-MAUKXSAKSA-N 436.398 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1cccs1)C(C)C 1589559360 QKJCHLWBEOJWND-WMZHIEFXSA-N 437.613 4.722 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCO1 1589615053 IXBHEPIJEQEFEH-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1593684349 VSNULBVURMLJMP-FHWLQOOXSA-N 447.624 4.566 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)CC1 1594091344 YVYASKDEQWPJRG-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1594651333 IQHNSPHIYDMQQI-JOCHJYFZSA-N 448.615 4.948 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC(c2nc3ccccc3s2)CC1 1594783875 KXPCWXIGVQQPNA-UHFFFAOYSA-N 425.602 4.988 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1coc(-c2cccs2)n1 1594855932 FOVHAIDOFCZLQU-HNNXBMFYSA-N 439.516 4.944 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCCc1cccc(C)n1 1595093149 BWYQBGMNUGAIOO-UHFFFAOYSA-N 426.568 4.946 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC2(CCCCC2)C1 1595330404 PUUZHXJEEJRQEG-UHFFFAOYSA-N 435.341 4.572 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1595330672 ZRBMQRJFKQMHJK-WMZOPIPTSA-N 445.995 4.914 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1595343186 FXGICDBPKOKIHM-CABCVRRESA-N 437.407 4.739 30 10 IJEE COc1ccc(Br)cc1CN(C)c1cc(Br)c(C#N)cc1F 1612161142 HXAAKNSICWLSSR-UHFFFAOYSA-N 428.099 4.867 30 10 IJEE C#CC(C)(C)NC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1617533261 YWBSZMRZLKJXSJ-UHFFFAOYSA-N 438.527 4.867 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3[C@H]3CCC[C@H]3O)c2C#N)C1 1618076221 CINICOHNCXGEAY-KRZXBLKESA-N 443.657 4.725 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1622346671 JVBKOWRMOWCVNF-IAQYHMDHSA-N 426.298 4.881 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cnn(C(C)C)c1I)c1ccccc1 1625197566 WGIZXZDAQLRDAW-QGZVFWFLSA-N 437.325 4.896 30 10 IJEE C=CCOC[C@H](NC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C1C=C(C(C)C)CC[C@@H]12)C(=O)OC 1626205016 TXPXTZIPTMRGKW-ROURDUCTSA-N 443.628 4.982 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C 1630118665 IHWMVBIKIJRGRS-BGYRXZFFSA-N 440.565 4.518 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(OCC)c(OCC)cc2C1 1631784494 KXTICQVCHIMWHJ-FQEVSTJZSA-N 446.588 4.618 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2cc(OC)ccn2)CC1)c1ccc(C(F)(F)F)cc1 1633467270 SCISUOGOLFQBOV-FQEVSTJZSA-N 448.489 4.648 30 10 IJEE C=CCOc1ccc(CC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1635607843 XLZUIMYWLXZDCF-FQEVSTJZSA-N 436.552 4.839 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOCC1CCC1 1645917700 DHMOQSUURIHHPF-XMMPIXPASA-N 434.536 4.708 30 10 IJEE COc1c(C(=O)Nc2ccc(Br)c(C#N)c2)sc(C)c1Br 1647797625 HJLFGOULZDEVQG-UHFFFAOYSA-N 430.121 4.714 30 10 IJEE C#CCN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CCCc2ccccc21 1648423620 BMPIHDNCVDCXQV-HXUWFJFHSA-N 426.442 4.533 30 10 IJEE C=CCn1c(SC[C@@H]2COC(C)(C)O2)nc2sc(-c3ccccc3)c(C)c2c1=O 1652572059 HFYIQVYUURXAAW-INIZCTEOSA-N 428.579 4.863 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C)cc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1654702185 CWOOPNIRIVOYJO-SFHVURJKSA-N 441.471 4.786 30 10 IJEE CC[C@H](C(=O)N1CCC(NCc2cc(C#N)ccc2Br)CC1)c1ccccc1 1657050194 DFUORXRHKGQQES-NRFANRHFSA-N 440.385 4.595 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 1661003221 ONZKWUGKSSPENU-UHFFFAOYSA-N 425.330 4.914 30 10 IJEE CCCN([C@H]1C[C@H](OCC)C12CCCC2)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1662239915 GNMUYROFKGHVMO-OALUTQOASA-N 444.519 4.716 30 10 IJEE C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN1Cc1ccccc1 1668478645 HQKCQPXKFLTWQO-HXUWFJFHSA-N 441.535 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1668823648 FUXVVPAPRWOBOF-QFIPXVFZSA-N 440.588 4.729 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 1670147465 GGMNPNNXXSIVAA-MSOLQXFVSA-N 442.560 4.621 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CC1 1673462867 FGJMJJSFQOVGES-JCNLHEQBSA-N 427.907 4.723 30 10 IJEE CC(C)(CC#N)CNC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 1673507768 DTHOCFKYCGFVCD-UHFFFAOYSA-N 431.005 4.836 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 1682352195 IESHQEYHFRNPDA-BJKOFHAPSA-N 443.934 4.711 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1682356644 KQWJFFFGSCDKOI-FSSWDIPSSA-N 425.573 4.572 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1 1683760204 MMNCSFMNVCZHBZ-UHFFFAOYSA-N 441.528 4.672 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1Cc1nc(C(C)(C)C)cs1 1689861047 NAXKYBCVEIEZMZ-QGZVFWFLSA-N 432.597 4.541 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCC1(F)F 1690089807 NCWABYJIAWQODJ-VQTJNVASSA-N 446.517 4.777 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(Cc1ccccc1)Cc1ccco1 1690173041 UPEMLSONOSKIGI-QFIPXVFZSA-N 436.581 4.686 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC[C@@H](OCC)C(C)C 1690207750 KQIFVNXFAMJVPJ-ZJSXRUAMSA-N 430.543 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCOCC1 1690212224 DCEXYZDSVBWQDN-AREMUKBSSA-N 436.600 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1690430404 KEAJXFHFEDHUAF-PKOBYXMFSA-N 431.625 4.887 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1690444693 KXEVXAXKWXYXHG-QHCPKHFHSA-N 437.632 4.531 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690450037 YFZVHDKUEMXEOF-OALUTQOASA-N 443.661 4.984 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1CC 1690480664 MQPDNNFJZNEOSH-NQIIRXRSSA-N 434.588 4.827 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCc2cc(Br)ccc2C1 1690497763 WKGFMRSCPATYTM-MRXNPFEDSA-N 433.394 4.710 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1690500476 WXMNNONEZDGANP-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1690515695 RPGRVVQATOHSBX-HSZRJFAPSA-N 430.600 4.876 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)cc1SC 1690518002 WWWBFNBCIAXZQT-UHFFFAOYSA-N 446.418 4.747 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2ccc(F)cc12 1690534628 FHOFGRPAMOSGRR-WIYYLYMNSA-N 425.552 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cl)cc1OC 1690588486 XTVWKMMXDOICQG-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1705477483 OOTAGBMYSHXKIY-GFTAFNIFSA-N 441.595 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1c(C)nn(-c2ccccc2)c1C 1705714949 NEAOYBVDUPCMIS-UHFFFAOYSA-N 427.556 4.593 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1CC1(CN2CCOCC2)CCCCC1 1705715866 RWTNGPHDONSIKT-UHFFFAOYSA-N 429.653 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC1(OC)CCC(C)CC1 1705718724 WZIDNJVIJXZVET-UHFFFAOYSA-N 426.605 4.875 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705795570 MWIDGBOOEUSNOS-JSXRDJHFSA-N 430.637 4.804 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1705796203 BABOROANRMRGJS-ISKFKSNPSA-N 437.632 4.846 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCN1CCC 1705837824 PMALTOONSUZORF-IBGZPJMESA-N 446.437 4.903 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 1705847723 CSOFDJOXIPTWNV-YOEHRIQHSA-N 427.515 4.645 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC2(CCCC2)C1)C(C)C 1705866838 AWBHTPAOTGIJOL-XZOQPEGZSA-N 441.664 4.989 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705888950 NSNQMDHKORHVMT-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1ccc(Cl)s1 1722373784 MKNTXYJBNOOECP-INIZCTEOSA-N 442.947 4.588 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C(C)C)N1CCCC1 1722404020 NCBWNAJQRVDSEF-HXUWFJFHSA-N 434.415 4.832 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@]1(C)C#C 1722455935 YDTDJOZDWQVPEO-RUZDIDTESA-N 436.625 4.729 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(O)(CCC)CCC)CC1 1722578444 MKQDPRVEUVZIPW-UHFFFAOYSA-N 448.615 4.865 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)COCC)CC1 1722579183 LIAAOURAQUSHBQ-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1722586888 RYARXQXDEKWQEF-HXUWFJFHSA-N 448.615 4.542 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)(COC)CC1 1722612203 GKQXYFRCJUUBNH-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCCCn1c(N(C)Cc2cccc(C(F)(F)F)c2)nnc1[C@@]1(OCC)CCOC1 1722622193 HKVSITLWZDCOMJ-OAQYLSRUSA-N 438.494 4.552 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CC(C)(C)c1ccccn1 1722675495 NHFQFCWRPZOMLT-UHFFFAOYSA-N 428.540 4.541 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722707413 OLWRIDPQQMLVHB-GOTSBHOMSA-N 447.583 4.593 30 10 IJEE CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1723235546 CWIWTUQIOKULAF-DYESRHJHSA-N 445.970 4.929 30 10 IJEE Cc1ccc(Cn2c(CC3CC3)nnc2N2CCC[C@](C)(C#N)C2)c(OCC(F)(F)F)c1 1724364542 BNFKXQMDDHNWKR-JOCHJYFZSA-N 447.505 4.659 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1740574771 LCWWFUKQDDLGSO-AZGAKELHSA-N 443.595 4.672 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1740579490 STODCQBWWPEYHE-RTBURBONSA-N 431.625 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCSCC 1740727038 XJTCYOLAXUOEER-HXUWFJFHSA-N 433.419 4.843 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(C)o1 1740815594 FBNPDRBWVVXBCI-QGZVFWFLSA-N 428.920 4.861 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCCOC2)CC1 1740832333 CGOMXNBMUQPWLQ-PZJWPPBQSA-N 440.588 4.646 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740887446 HWNXIEDBGHHCAS-XMMPIXPASA-N 447.023 4.756 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CCc1scnc1C 1740915613 MNTYZBKOGNATGV-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1cccs1 1740917103 HHPJHZIEQHWURK-UHFFFAOYSA-N 449.624 4.746 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1Cc1occc1C 1740917653 ZPBCCBYEPVZPAA-UHFFFAOYSA-N 429.549 4.944 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCSC2)C1 1740974043 BEGVWKBACIZQOR-ZBFHGGJFSA-N 439.412 4.786 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@H](C)CC#N)o1 1745319210 CMFCESSHJVJJNJ-CQSZACIVSA-N 442.951 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCCCC1 1748651426 MGOJVFQVSOYJBE-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC(C)C)C(C)C 1748751016 SSBZHWCTYNPRLQ-UHFFFAOYSA-N 431.625 4.677 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1749049282 HQVNGCWNFIADOY-XRXFAXGQSA-N 430.662 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(COCC)cc1 1749060151 JYYFJGIYMRWSFA-XMMPIXPASA-N 435.959 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(N(C)C)CCSC1 1749146313 CEBYJNTWTYGMHE-HSZRJFAPSA-N 425.602 4.531 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C(C)(C)C1 1749189504 LTQJPMVDOHWBRL-RBUKOAKNSA-N 431.625 4.841 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1749218032 GYBYVUXZQSDGFY-LJQANCHMSA-N 441.601 4.897 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1749276278 GYYNFGDJTCFENZ-APWZRJJASA-N 427.980 4.744 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749355544 LAFJUTGYTZXYPV-FQEVSTJZSA-N 444.023 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1CCOC1 1749357083 IRCNOBDNAHAXSB-MRXNPFEDSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C)cc2)CC1 1749364312 PKUVJMNTTYVGLI-UHFFFAOYSA-N 430.600 4.886 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749408408 IJMDPCMNPVMVCV-WOJBJXKFSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749501519 BNWQPSYAJYSWPO-WZONZLPQSA-N 432.012 4.643 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCSC2(C)C)C1 1749696101 PYCDAGJFUZJQPL-MJGOQNOKSA-N 433.021 4.912 30 10 IJEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC2CCCC2)cc1C 1751564666 CUUROXXOMXULOD-DEOSSOPVSA-N 425.552 4.886 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1760136643 AXCKGRVBXULPCW-VQTJNVASSA-N 441.645 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1760317055 ACGVTEATNCDWMF-CTNGQTDRSA-N 425.964 4.710 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C(C)C)C1)c1ccccc1 1760364080 FSNGLGZYHWMINA-OAQYLSRUSA-N 439.654 4.925 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCCCCC1 1760368523 FHGGZBQFMHIIJS-UHFFFAOYSA-N 425.758 4.849 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC2CCCCC2)CC1 1760434569 GAHPXPGGROZMKW-UHFFFAOYSA-N 429.012 4.662 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C1CCCCC1)N(C)C 1760461805 HFLGXTPGPPPBFL-JOCHJYFZSA-N 434.588 4.733 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCCCN1CC 1760480138 MHWXGCVZWSQANW-RUZDIDTESA-N 446.643 4.949 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1c(C)noc1C 1760498410 QQDIZFHBVYQZEW-PGRDOPGGSA-N 435.572 4.773 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OC)C1 1760561582 FVTXSRQNYKDENS-HNNXBMFYSA-N 427.401 4.786 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](OCC(C)C)C1 1760563877 HFZKBMQWBDSPAI-GOSISDBHSA-N 425.602 4.597 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(CC(C)C)C(C)C)cs1 1767997255 HNIAXMNNHRXGHO-KRWDZBQOSA-N 438.601 4.900 30 10 IJEE COc1ccc([C@H](C)CCn2c(CC3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1769958253 CSSLUQAQRYTJHE-HOYKHHGWSA-N 425.552 4.655 30 10 IJEE CCn1c2ccccc2c2nnc(NN=Cc3ccc(OCCC(C)C)c(OC)c3)nc21 1772764875 HMXZBCSMWWNFHZ-UHFFFAOYSA-N 432.528 4.879 30 10 IJEE Cc1cc(C)c2oc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)cc(=O)c2c1 1859750274 SWFRHTNOALRLDL-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1862097914 MJWSKFNHSLUCLC-QFIPXVFZSA-N 430.552 4.637 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccccc2Br)cc1C 1862409571 OFYVRPQUUCZIHX-LJQANCHMSA-N 444.325 4.753 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862411917 RFQLKRUMHCKDML-QHCPKHFHSA-N 449.453 4.882 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1862476839 PFVXIIQXFGVXHC-QFIPXVFZSA-N 449.890 4.838 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCC2)cc(Cl)c1O 1862485225 YDVVYNJAPWTZPW-HXUWFJFHSA-N 441.911 4.884 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1862537862 AFVBLZJHCRQEHP-FQEVSTJZSA-N 447.362 4.696 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(F)cc2)C1=O 1863507451 QEMMKIHTHYULHI-NRFANRHFSA-N 430.564 4.815 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(Cc2cccs2)C1=O 1863760508 KCQOMUKNMZYZSA-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)CCCOc1ccc(Cl)cc1Br 1866317361 WWOIMNOQDGIPOH-CYBMUJFWSA-N 436.737 4.538 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868401324 WJFRJVSPKIJART-OAQYLSRUSA-N 427.556 4.988 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)Cc1cccs1 1870150632 POJUTVNRMBSJLC-UHFFFAOYSA-N 449.923 4.614 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1Cc1ccccn1 1870440549 KTXGPKHRJXRLLS-UHFFFAOYSA-N 435.955 4.698 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCN(C)CC1 1870770587 QMIXDLMKLJENQA-UHFFFAOYSA-N 439.644 4.844 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1870866587 QZIAMEXZEBKXDK-UHFFFAOYSA-N 426.557 4.664 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871167992 UAEQVKOZHQSYRM-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 1871422321 VVYANOFMSCQNCM-QRVIBDJDSA-N 440.492 4.822 30 10 IJEE CC(C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O 1872765992 AKTULKHVAXMLQI-SFHVURJKSA-N 449.919 4.958 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1F 1872774816 CKKPPJGYACLKGB-RRGWEWPQSA-N 438.480 4.865 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(F)c(F)c2)cs1 1872779876 TUZPZMRJXDARBR-OAHLLOKOSA-N 426.444 4.908 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1cn(C)c2cccc(C(=O)OC)c12 1873501118 KXDMLDGBHPIWMZ-AFUMVMLFSA-N 447.564 4.683 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N3CCCCC3)cc1)n2CC(C)C 1873612725 KJTRBPCBDHUHGE-UHFFFAOYSA-N 432.572 4.928 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Br)cc1)n2CC 1873656172 QKVZXVKRVKEDMH-UHFFFAOYSA-N 440.345 4.644 30 10 IJEE Cc1cc(C)n(-c2ccc(=N/N=C/c3c(OCc4ccccc4)ccc4ccccc34)[nH]n2)n1 1873794502 MEMYWYBBGJWKRO-OGLMXYFKSA-N 448.530 4.879 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(CC)cc1 1874211550 SAMUQMYJVLMAOJ-XDEFOSFOSA-N 447.608 4.741 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCCc3ccccc3)n2/N=C/c2ccco2)c1 1874260814 SNJNVZPPURSUQC-AFUMVMLFSA-N 440.475 4.945 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SC)cc1OC 1874265507 ATOIRCVINJWLCH-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874283425 GVKDORYRYFCWHI-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccn2C)c(C)c1 1874327548 UICVMZDAZMDELS-MFKUBSTISA-N 431.565 4.987 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc(OC)c1O 1874427996 MHOWDQPKTDAIIO-MFKUBSTISA-N 446.532 4.842 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(Cl)cc1Cl 1874432093 OCQQRTDLQJWTJM-YSURURNPSA-N 448.379 4.704 30 10 IJEE CCCOC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1c(Cl)cccc1Cl 1874463469 KVELZEYVWDCGOJ-QPSGOUHRSA-N 441.262 4.531 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccs1 1874466519 NWXALSCSMWPLGW-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC 1874600349 HPMGPWPGBKHNLZ-CSKARUKUSA-N 445.943 4.809 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(Br)c1OCCCO 1874605469 QAGZSUBDOFJPKZ-CMDGGOBGSA-N 435.314 4.514 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 1875157569 DOLJDUVDYSCVSW-LHHJGKSTSA-N 434.423 4.915 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c(Cl)c2)cc1Cl 1875188900 OQLSYIGXWJTBLO-GORDUTHDSA-N 429.259 4.907 30 10 IJEE CCN[C@@H](C#Cc1cccs1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1900787746 ATZXLFVKILCIQA-SFTDATJTSA-N 428.598 4.578 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)[C@@H](CN)CCC12CCC2 1924924641 FOTXFPBVHBIONH-QVKFZJNVSA-N 434.378 4.992 30 10 IJEE C#Cc1cccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1951531136 UVKKZWIDTLCXAM-DQEYMECFSA-N 437.495 4.717 30 10 IJEE CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1oncc1C(=O)O 1952194501 IADYLFDOZDLIKO-HXUWFJFHSA-N 438.505 4.661 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(c3ccc(C#N)c(Br)c3)C2)C1 1965652126 TVJUJHFYVJPXDX-MRXNPFEDSA-N 434.378 4.794 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc2c1N(CCCB1OC(C)(C)C(C)(C)O1)CCC2 2044524103 BMRKJVVJEGAJEB-UHFFFAOYSA-N 430.398 4.946 30 10 IJEE N#Cc1ncc(Br)cc1Nc1c(Br)cccc1Br 2048647632 IUCDGXCYLDLLPH-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)cc1 2080029786 DEWCNJKLVKZZND-SFHVURJKSA-N 433.293 4.635 30 10 IJEE Cc1cc(O)c([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1C 2080055845 LGDPBRQHEMROSB-HNNXBMFYSA-N 445.251 4.865 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCCC1 2180964883 YSWZKVPLSTZLFE-UHFFFAOYSA-N 436.350 4.829 30 10 IJEE CCCc1ccc(C#C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223330212 SVFIGTYAPIOVHP-OPXMRZJTSA-N 437.580 4.850 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(F)(F)F 2229128660 CVKVIWYGLDCZDQ-CABCVRRESA-N 437.300 4.591 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2235728561 LRAPESXWDPAFCX-ICSRJNTNSA-N 435.406 4.862 30 10 IJEE CC1(C)CC[C@](N)(C#Cc2ccccc2Br)[C@H](CNC(=O)OC(C)(C)C)C1 2235734546 RIMFZYIQEZPKHD-HTAPYJJXSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)C#Cc2ccccc2Br)C1 2235734906 RXANITQZFVTPDH-JTSKRJEESA-N 432.358 4.797 30 10 IJEE CCc1ccc(C#C[C@H](N)c2ccc(Br)cc2I)cc1 2239639758 BRMDLLAEQMBFAX-KRWDZBQOSA-N 440.122 4.668 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@@H]2CC[C@H]2OCc2ccccc2)c1 2281940482 PSUVQQBOJXXIEH-DNQXCXABSA-N 449.400 4.587 30 10 IJEE CC1(C)OB(c2cc(Nc3cc(F)c(Br)c(Cl)c3)ccc2N)OC1(C)C 2283009426 GFVNIMJEUAYBAE-UHFFFAOYSA-N 441.537 4.867 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@H](N)C#Cc3cccc(Br)c3)ccc21 2296231695 HASSYFZQFKPOCL-LJQANCHMSA-N 427.342 4.798 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H]1CCCN1C(=O)OC(C)(C)C 2296271150 CLJVILOECWACMJ-RTBURBONSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C 2296296455 NWJCWXHKVQADDW-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2296298456 KIBVNJKALCUTER-WSTZPKSXSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCCC[C@H]1NC(=O)OC(C)(C)C 2296300276 GCQXXWIXVDUGTO-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C(F)(F)C1 2301094706 RKELUJVIRCIMDE-OAQYLSRUSA-N 437.487 4.967 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@H]34)CCC2)OC1(C)C 2312849631 KDVQYOCFQMNSBJ-TUFLPTIASA-N 425.378 4.503 30 10 IJEE CCc1ccc(N=C2NC(=O)C(=Cc3cc(Br)ccc3OCC#N)S2)cc1 2313576019 NSYJOIVAJRKSHQ-UHFFFAOYSA-N 442.338 4.805 30 10 IJEE C=CCOC(=O)C1=C(C)N=C2N=C(SCc3ccccc3)NN2[C@@H]1C=Cc1ccccc1 2314815595 NVTMEYPLDLJNJZ-OAQYLSRUSA-N 444.560 4.551 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCC)cc2)SC1=Nc1ccc(O)cc1C(=O)O 2314927081 YWGJCQKIXHUKMA-UHFFFAOYSA-N 438.505 4.669 30 10 IJEE COc1c(Cl)cc(C=NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 2318414917 INRYDBYBQDRTHQ-UHFFFAOYSA-N 428.124 4.621 30 10 IJEE CCCOc1ccc(C=CC(=O)Nc2cccc(C(=O)Nc3ccccc3C#N)n2)cc1 2318781512 PJABIQGJZQNBRZ-UHFFFAOYSA-N 426.476 4.646 30 10 IJEE CCCOC(=O)COc1cc(C=CC(=O)c2cc(OCC)ccc2OCC)ccc1OC 2323260483 MFKUYVGUYMTAHY-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE CCCOc1c(C=Nn2c(Cc3ccccc3F)nnc2SCC)cccc1OC 2329730856 QYZIDXNLDRYLDS-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccccc1C 2330047828 DSLZGEICVNVTGB-LJQANCHMSA-N 435.597 4.581 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(F)cc1F 2331632409 NZRAEHLIRBHISD-UHFFFAOYSA-N 443.523 4.739 30 10 IJEE CCCOc1ccc(C=Nn2c(SCc3ccc(C(=O)OC)o3)nnc2C(C)C)cc1 2331696294 NGZPFXSREZJWIW-UHFFFAOYSA-N 442.541 4.744 30 10 IJEE COCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 2331789619 LPOYIXKZFXDHOJ-UHFFFAOYSA-N 426.509 4.758 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2360195841 DWMQPWYDJCTVCM-FRYIKTPZSA-N 433.390 4.567 30 10 IJEE COc1nc(Oc2cc(Cl)cc(Br)c2)ccc1B1OC(C)(C)C(C)(C)O1 2365380301 QDNPSFJHTTWWKA-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2Cc3ccccc3S2)n(C2CCCCC2)c1C 10909996 IBNMJXHIUNDWKR-NRFANRHFSA-N 437.565 4.681 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2OC)cc1OC 28052635 ZUMQRARXBVIOAJ-UPCLLVRISA-N 446.503 4.967 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(C)c2)Nc2cc(C)ccc2OC)c1C 32971915 RIPZZRAOONEGOL-UHFFFAOYSA-N 433.556 4.543 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC)c1 40513341 HOQQDMLDTSOAEK-QHCPKHFHSA-N 433.504 4.556 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)c1 41292473 HOBYDAGEAVKPDY-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCc4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 41501409 VRSDCCWTBXGOQR-XKZIYDEJSA-N 445.427 4.885 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccccc2C#N)C1 95087542 ROOADWNPFHMHHN-IBGZPJMESA-N 445.567 4.697 30 10 IJEE COCCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)S/C1=N/c1ccccc1 101695532 UCQDLXHUUUKMCC-ZIARRYFKSA-N 432.929 4.608 30 10 IJEE CCCCCCCCNC(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2)cc1 102771964 KFLRWRJBBQAQNK-UHFFFAOYSA-N 426.557 4.724 30 10 IJEE biogenic CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(OC)cc2)cc1 169923868 CZSGKEXZAIAQLC-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2ccccc2F)C2=C1CCCC2=O 169933135 HEQLWWUPJUEWEA-QFIPXVFZSA-N 440.540 4.672 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccn2)c1 169990542 YEUDWFIPOZXIRS-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccccn2)c1 170000002 TUMJBVTVINBILK-QFIPXVFZSA-N 438.487 4.666 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@@H]1c1cccnc1 170002384 AIBMCWYRNWZWCO-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccs2)c1 170163756 ZEAULZIFGUEPGX-HXUWFJFHSA-N 427.522 4.676 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 170198164 RCAQHJLDZHVMRR-QFIPXVFZSA-N 430.529 4.800 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(F)cc2)c1 170239024 VSFUEVZUQRWHPF-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccco1 170287997 UJBPUIRTNNBWQG-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)c1 170296288 INEBWZNYVFJMMO-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(C)o2)c1 170297642 RWMWNPWPMMUNKU-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@@H]1c1sccc1C 170312849 QGROHRCGDVPTJI-HXUWFJFHSA-N 443.565 4.722 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1ccncc1 170317333 LNLZOUYSUAEZHR-YCRPNKLZSA-N 446.528 4.553 30 10 IJEE CC(C)OC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)cc1 170372533 ZZMGIENGQBWXRB-OAQYLSRUSA-N 431.444 4.628 30 10 IJEE Cc1sc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c(C#N)c1C 170578621 WCJVLLDKNGXMEQ-UHFFFAOYSA-N 426.501 4.906 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N\N=C/c3ccccc3)N(Cc3ccco3)C2=O)cc1 210515215 LIKYMHUXRXYQDF-VGCDDXBCSA-N 430.533 4.852 30 10 IJEE C=CCN(C[C@@H](NCC)c1ccc(OC)c(Br)c1OC)C(=O)OC(C)(C)C 407572321 LHWCTVLJNXFMGP-OAHLLOKOSA-N 443.382 4.540 30 10 IJEE CN1CCC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1cccs1 442222608 ZSAAQHSYTSVJBE-UGSOOPFHSA-N 438.475 4.723 30 10 IJEE N#C[C@H](NC(=O)c1c(F)cccc1I)c1cccc(Cl)c1Cl 505327601 WSUGUDGQVMISQL-LBPRGKRZSA-N 449.050 4.732 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC2(CCOCC2)C1 508724283 PUJRDGOSZJILGY-UHFFFAOYSA-N 448.542 4.856 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508917778 KSMOAFIPJHAPKW-QHCPKHFHSA-N 435.616 4.671 30 10 IJEE CC(=O)c1ccc2c(c1)CCN(C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)CC2 517968931 KWQVXMLGFBZHBA-UHFFFAOYSA-N 440.547 4.524 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(F)cc2)c(OC)c1 526520650 IVVRSTAZFGBWFH-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE N#Cc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccc(F)cc2F)C1=O 526659408 QMMJRTNUPNINHV-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE CN(C)c1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 526661244 YQMOFXKYEYZKFR-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2/N=C\c2cccc(C(F)(F)F)c2)o1 526831206 IGJYTAFZRRFMFV-OPVMPGTRSA-N 438.431 4.630 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(Cn2cccn2)CC1 549263830 PJALOFGHNOVCLK-UHFFFAOYSA-N 448.615 4.978 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 555238732 XLQHXWPBRSJZHN-DEOSSOPVSA-N 437.632 4.663 30 10 IJEE C=C(C)Cn1c(CC(C)C)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 567182591 RDKXTPWQTZBFNL-NRFANRHFSA-N 427.980 4.658 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 580340756 QYMZADJJAUFGKA-IBGZPJMESA-N 436.560 4.632 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)Cc1ccccc1F 586161715 VHZBEJSNODHQDM-UHFFFAOYSA-N 438.524 4.714 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670234563 LCPTXUJMGUBCNC-LJQANCHMSA-N 442.514 4.777 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 698379587 XVFFWMQEXRJSAT-MHECFPHRSA-N 429.561 4.963 30 10 IJEE Cc1oc(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c(C#N)c1C 732586248 HEHIPNSBQIEKQY-FGZHOGPDSA-N 444.487 4.633 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cnn(-c2ccc(Br)cc2)c1 735345367 SAPOJHRYTJZKDP-UHFFFAOYSA-N 446.688 4.548 30 10 IJEE FC(F)(F)c1cc(NN=C(C[C@H]2CCOC2)c2ccccc2)nc(-c2ccccn2)n1 753931435 GKSCKVGBZLCCEY-OAHLLOKOSA-N 427.430 4.800 30 10 IJEE CC(=NNc1ccc(OC(F)(F)F)cc1)c1cc2c(cc1Br)NC(=O)CO2 767355882 LXTTYPXDPSDBBR-UHFFFAOYSA-N 444.207 4.515 30 10 IJEE N#CCOc1ccc(CC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1 794909596 FOKUVPXUFWYSRQ-DEOSSOPVSA-N 434.923 4.859 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Cl)cc2-c2cccc(C)c2)n1 797684182 RDORNISCOFZPKI-UHFFFAOYSA-N 436.943 4.826 30 10 IJEE O=S(=O)(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc2ccccc2c1 1083971940 PLHZNKBPOQKVDV-UHFFFAOYSA-N 448.529 4.773 30 10 IJEE Cc1cccc(-c2cnc(NC(=O)COc3ccc(C#N)c(Br)c3)s2)c1 1128722098 BVFJLZPOCQOQMR-UHFFFAOYSA-N 428.311 4.770 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1c(C)c(C#N)nn1-c1ccccc1 1129282270 VMAQOGAWFSOUCZ-WYMLVPIESA-N 426.398 4.993 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@@H]1CC(c2cccnc2)=NO1 1130125734 BJTQOVZFNIGVHF-AWEZNQCLSA-N 435.299 4.503 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)C(=O)OCC 1132192380 GDBBFJUQPZBVCL-KRWDZBQOSA-N 448.306 4.590 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CC)Cc2nc3c(s2)C[C@H](C)CC3)cc1OC 1135012346 LUUCKQMXOKTEST-XLNAKTSKSA-N 426.582 4.903 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)COc1ccc2cc(Br)ccc2c1 1137092822 IOZWEDKXZOUYSA-UHFFFAOYSA-N 428.257 4.771 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(F)(c4ccc(Cl)cc4)CC3)n[nH]2)c1C 1139202438 ZFZXVDCSUJAXIP-UHFFFAOYSA-N 441.938 4.830 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@@H](OC)C(C)(C)C3)c2C#N)C1 1170423205 AJAAGGDBQJNLJP-OXQOHEQNSA-N 431.646 4.846 30 10 IJEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1Br 1186269515 SBJGGXPHYNLMHB-UHFFFAOYSA-N 432.314 4.566 30 10 IJEE C=CCn1c(SCc2ncc(C#N)cn2)nc2scc(-c3ccc(C)cc3)c2c1=O 1187948040 LAZYVWMYXWANCI-UHFFFAOYSA-N 431.546 4.573 30 10 IJEE C=CCC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 1192635421 MPCPKCVKQCURHU-IBGZPJMESA-N 433.430 4.800 30 10 IJEE C=CCCCCNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1211617210 OORYRVHYHRVAOC-XZOQPEGZSA-N 433.017 4.584 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1251548943 PONKYMAZCOSVGJ-ZNZIZOMTSA-N 449.643 4.852 30 10 IJEE C=CC[C@]1(C(=O)Nc2nnc(Cc3ccccc3F)s2)CCCN1C(=O)OC(C)(C)C 1265093438 UBQLQLKNVJOIKZ-JOCHJYFZSA-N 446.548 4.552 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H]2CSc3ccc(Br)cc32)c(OC)c1 1271275136 SUBRLZLLYTXZEA-INIZCTEOSA-N 434.355 4.528 30 10 IJEE CSc1ncc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)n1-c1ccccc1 1274741179 BNNRQNDGZJYCDD-UHFFFAOYSA-N 427.489 4.905 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1286328102 MYDSDFPSDZHYQF-AHWVRZQESA-N 443.595 4.672 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OCCC 1286405517 IIPHFNAGHGPIPI-UHFFFAOYSA-N 441.579 4.548 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)c1nc(C)cs1 1286452393 HKYCHPIRDLRRQH-MRXNPFEDSA-N 441.626 4.607 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC(C)CC1 1286452504 IEQUWBUTOHYNFA-LJQANCHMSA-N 446.064 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(Br)o1 1286546772 LMSCXHXQGMMDCP-MPGHIAIKSA-N 437.382 4.765 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2ccco2)C1 1286620198 HCIMDCAVQRTVMV-WIYYLYMNSA-N 442.947 4.958 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O 1286680795 FLFOTWJEJUVXDU-UHFFFAOYSA-N 439.991 4.837 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1CCO[C@H](C)C1)C1CC1 1286731581 QILOJZJGDNXTGB-WOJBJXKFSA-N 437.588 4.507 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)SC)C1CC1 1286733874 KZLMWMQBJDCEPI-GFCCVEGCSA-N 425.371 4.753 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C)s1)C1CC1 1286738743 BNNOTOCYWRQZLP-CALCHBBNSA-N 443.617 4.622 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1Cc1cccnc1OC1CCCC1 1286739262 VSMQRCVFVSQDER-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1Cc1nc(C)c(C)s1 1286763789 UGSLRLXMMZACRT-UHFFFAOYSA-N 449.580 4.903 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1286777410 YPTCASVBVJFFLM-YADHBBJMSA-N 437.632 4.696 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCC)C1 1286811970 HSICVPBMVSRQDX-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CC=CCC2)C1 1286813707 AFMYRPAIMLKOEE-PMACEKPBSA-N 440.613 4.717 30 10 IJEE Cc1ccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)cc1 1289758690 FDZCSDKNARKMSV-FQEVSTJZSA-N 430.556 4.555 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1csc(-c2ccccc2)n1 1294953857 LAORHVWIZZRODJ-LJQANCHMSA-N 429.586 4.718 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC)(CC)C1 1296468856 DXSGJYUTAIGCOE-UHFFFAOYSA-N 425.577 4.560 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@](C)(CC)C1 1300742262 CLVPTKHYTJLOQJ-HSZRJFAPSA-N 444.670 4.647 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1CSC 1300852930 GBCBWTZOGDEZGW-INIZCTEOSA-N 446.418 4.591 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(CC)CC)nc1 1300904916 IFQRCNPCZAITJZ-UHFFFAOYSA-N 429.572 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN(C)C1CCCC1 1300905665 CAFHQGUZIFBXEZ-UHFFFAOYSA-N 432.012 4.884 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2ccc(C)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1301061460 VFAUUHHTAIEWJO-NZQKXSOJSA-N 430.980 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(Cn2cc(C)cn2)CC1 1301146026 PKYAAGZDICUEKD-UHFFFAOYSA-N 448.615 4.978 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1301149170 XZRPXUJFWRRTNH-NRFANRHFSA-N 439.604 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C)(COC)CC1 1301149807 GMJAJGKDLKATCV-UHFFFAOYSA-N 448.615 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301158480 HBMQQBUWZYUBKT-RUZDIDTESA-N 442.579 4.623 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)sc(C)c1Br 1301283219 STLALSIPBARWOK-UHFFFAOYSA-N 442.386 4.928 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1CCC(OC)CC1)C1CC1 1301314070 MHSSHKNMKXHNIZ-ZJRDLVKKSA-N 428.552 4.917 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1cccnc1OC 1301349560 POXRIELLDIFJAS-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CC(=O)NC1CCCCC1 1301362595 GSRFZMVXOJLYGR-UHFFFAOYSA-N 427.618 4.639 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)c(OC)c1 1301371843 GWGZAVUGOTUUJP-UHFFFAOYSA-N 442.361 4.579 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(CC)s1 1301380717 JDJZFJANVMGKQX-UHFFFAOYSA-N 430.581 4.981 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1301615044 DTJNUYFRUGBHFC-GOSISDBHSA-N 431.656 4.956 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1301618791 YYSFTPFNLYZURS-UHFFFAOYSA-N 438.519 4.784 30 10 IJEE Cc1ccc(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(=O)N1CCCCC1 1310658348 FDPYSJVCNAMWTL-UHFFFAOYSA-N 430.552 4.904 30 10 IJEE C#C[C@H](NC(=O)NCc1cccnc1Oc1ccc(OCCC)cc1)c1ccc(F)cc1 1311453106 XILMXYMMZHQJND-QHCPKHFHSA-N 433.483 4.976 30 10 IJEE C=CCC1(CNC(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CCCC1 1312685613 GHIKOONSMMGKTA-OAQYLSRUSA-N 427.589 4.784 30 10 IJEE C=C(C)CCNC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1312726783 HSDFZVGVHRUSDH-UHFFFAOYSA-N 433.552 4.853 30 10 IJEE N#CCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccsc2)CC1 1316537635 DTGPIUQWTMCODZ-UHFFFAOYSA-N 429.496 4.786 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cnc(-c2ccccc2F)s1 1351079578 IPKRXAFYVBZJND-UHFFFAOYSA-N 427.453 4.692 30 10 IJEE C#CC[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 1356595889 QAEIZGRFZMUQQM-HSZRJFAPSA-N 438.556 4.907 30 10 IJEE Cc1cc(C(=O)N[C@H](C)c2cc(Cl)ccc2OC(F)F)nn1-c1cccc(C#N)c1 1357998574 AERNFSGLISHMOD-CYBMUJFWSA-N 430.842 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCCCCC1 1359001822 FEZXPFKLUYNLQF-UHFFFAOYSA-N 445.611 4.897 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1359003194 BNKONSAXLLWKME-AREMUKBSSA-N 434.584 4.820 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359102424 BBFZXXDICFGTSL-SJBKTWHCSA-N 448.533 4.823 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1359152278 RAYNEONVGOIEDR-QGZVFWFLSA-N 446.933 4.554 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1359154068 CFWNKVUACORKCI-UHFFFAOYSA-N 445.398 4.615 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)CCCC)CC1 1359163121 RSWSPYOSWBSXFC-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCc2nccnc2C)CC1 1359168501 XFLUGBLGPKZWIV-UHFFFAOYSA-N 446.599 4.786 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCOc2cccc(OC)c2)CC1 1359180377 CHIXSCVDNHRWET-UHFFFAOYSA-N 438.597 4.811 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(C)C)CC1 1359191470 AOWDNVZMRXZUOK-UHFFFAOYSA-N 429.584 4.519 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359212183 CYQPWKWBDZSZBD-QGZVFWFLSA-N 429.996 4.696 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN(C(C)C)C(C)C 1359233063 PHWKTGZKFMOVJT-UHFFFAOYSA-N 434.426 4.839 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1sccc1Br 1359244341 ZTFOCPGMDDSHRI-UHFFFAOYSA-N 447.402 4.968 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)c1nc(C)cs1)C1CC1 1359248191 DHZCSETYOZQDPY-HNNXBMFYSA-N 439.585 4.686 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1OCCC1(C)C 1359254847 FYUXSLYEGAYYCY-FCHUYYIVSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@](C)(O)c1ccco1 1359262117 IEKKRSFBBUNBTA-HSZRJFAPSA-N 438.528 4.839 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCSC[C@@H]1C)C(C)C 1359265315 CUDBRQGPQQJVDY-SIKLNZKXSA-N 443.636 4.725 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1Cc1ccnc(SC)c1 1359275074 JRDHDSXKAVDMOG-UHFFFAOYSA-N 444.608 4.684 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1CCOCC1 1359278796 HLWBNRNCMLWUQZ-GOSISDBHSA-N 444.645 4.587 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](CC)C1 1359336899 FFDYJFHDAVDKEZ-SJORKVTESA-N 436.622 4.808 30 10 IJEE C#CCSCC(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1435161385 BMCNSARROFRHBU-IBGZPJMESA-N 432.383 4.962 30 10 IJEE CSc1nc(O)c(C(=O)Nc2c(-c3ccc(Cl)cc3)ncn2C(C)C)cc1C#N 1439552937 KZVRTBJGXKGAMQ-UHFFFAOYSA-N 427.917 4.731 30 10 IJEE C=CCCC[C@H](C(=O)N[C@@H](CO)c1ccccc1I)c1ccccc1 1456982379 DMDBNCPNRUJAGR-PXNSSMCTSA-N 449.332 4.581 30 10 IJEE C=CCn1c(SCc2csc(-c3ccn(C)n3)n2)nnc1-c1cccc(Cl)c1 1459001964 RRLRFLZJKGDEQK-UHFFFAOYSA-N 428.974 4.934 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2Cc3ccc(Br)cc3C2)ccc1Cl 1459906291 AIXBAHMITLMMIK-UHFFFAOYSA-N 432.749 4.673 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(I)cc1Cl 1460084540 CTRKLZXGXWMAEH-UHFFFAOYSA-N 431.701 4.608 30 10 IJEE C=C(CC)C(=O)Nc1ccc(NC(=O)c2ccccc2I)c(C)c1 1464458350 BDDRDPUBKBOJSA-UHFFFAOYSA-N 434.277 4.757 30 10 IJEE N#Cc1nc(NC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)ccc1Br 1467109263 BUAQLWQMLWKRHH-NRFANRHFSA-N 425.330 4.618 30 10 IJEE CC[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)Cc1cccc(Br)c1 1474988600 HDIQKPMHKZVPPB-CYBMUJFWSA-N 441.778 4.521 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](CN(C)C)c3cccc(C(F)(F)F)c3)cc2n1 1477121786 CDZAXWRZRUIHHH-HXUWFJFHSA-N 431.462 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 1477522063 DIBORAOCRRJHAB-DQLDELGASA-N 447.348 4.958 30 10 IJEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccc(Cl)s2)CCO1 1493310733 FLOXGZVKQUKOLI-NVXWUHKLSA-N 441.988 4.983 30 10 IJEE CCN1CCCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1502293238 APHLFQGOHBMIKR-ICSRJNTNSA-N 440.661 4.888 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1 1507700272 PHDRMXNEVPMPIL-HXUWFJFHSA-N 425.596 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccnc(C(F)(F)F)c1 1507823326 GSNORADPFOXWAM-UHFFFAOYSA-N 449.452 4.861 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)CC(F)(F)F)c1ccccc1 1507928223 IBIUTOCHELXAOH-KRWDZBQOSA-N 435.519 4.992 30 10 IJEE COC(=O)c1cccc(OC)c1N(C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1516712688 HUOBKFWWMPKMGF-UHFFFAOYSA-N 430.460 4.617 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)C(F)(F)F)cc1 1521343404 BTNSZKGAKACSCV-WMZOPIPTSA-N 445.466 4.736 30 10 IJEE C=CC[C@H]1N(C(=O)CCOc2cccc(I)c2)CCCC1(C)C 1524696633 NVGQDTQDMQOTDN-QGZVFWFLSA-N 427.326 4.653 30 10 IJEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H]1n1cccn1 1525925665 DWDPBQUOIUGPNZ-MZKRTTBSSA-N 446.576 4.833 30 10 IJEE CCCCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)C1CC(C)(C)NC(C)(C)C1 1526521572 FJXUPJRRWWQQEC-UHFFFAOYSA-N 430.662 4.909 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnnn2-c2cccc(Cl)c2Cl)cc1 1529654785 KNZLRIZFJNSFTD-UHFFFAOYSA-N 445.306 4.836 30 10 IJEE Cc1cc(C(=O)OCc2cnc(CCc3ccccc3)s2)nn1-c1cccc(C#N)c1 1532684561 CRFQEGMVBPAYHO-UHFFFAOYSA-N 428.517 4.651 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1536323648 IWAFWRZZCOCZML-GCJKJVERSA-N 431.363 4.770 30 10 IJEE C=CCN(C(=O)c1cc(Cl)ccc1OC(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1537316542 CYHSZBJZOCXABZ-GOSISDBHSA-N 437.870 4.744 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1538707653 CCIJVBIXZIRKRU-UHFFFAOYSA-N 433.305 4.864 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOC2(CCCCCC2)C1 1539132803 BTUJZTKARMGUFX-UHFFFAOYSA-N 436.600 4.817 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N(C)Cc1cc(OC)ccc1Br 1539134490 VMMANKSQELQRDR-UHFFFAOYSA-N 445.405 4.832 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1539162311 URGZNJHYOJAASF-JTHBVZDNSA-N 433.625 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)CN1CCCCC1 1539567030 SBEZXOVAWHVAPO-YIXXDRMTSA-N 449.643 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)s1 1539633565 ZMIVUPDUTQMYRQ-IEZWGBDMSA-N 437.009 4.852 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCSC2)CC1 1539882641 RXUWVCKLCRJMSF-LJQANCHMSA-N 442.629 4.898 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1F 1539924596 VDHJFBGTEAAFRR-UHFFFAOYSA-N 432.547 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1539926802 WVWIIQQYTFODDF-UHFFFAOYSA-N 448.590 4.526 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 1539946536 BQSRWRCMNWDQLP-DHIUTWEWSA-N 449.643 4.818 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 1540095824 WTOZSXRYLXSLOE-PXNSSMCTSA-N 443.389 4.844 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1OC 1540992733 YHWRANSBWCZLMY-KGXYIWNSSA-N 434.580 4.822 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1 1542326401 CKJLGIIJVFRREL-HHHXNRCGSA-N 448.563 4.854 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 1544601164 CNDGWKLMMUWPCD-UHFFFAOYSA-N 446.572 4.845 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](C)SC 1546040366 CRTPKZKYTZWGNA-SBUREZEXSA-N 438.593 4.728 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 1556571951 DUOHFBBVPPIWKY-HKUYNNGSSA-N 438.490 4.718 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)OC 1558383761 XHUSDQJRIDRDGY-IBGZPJMESA-N 449.334 4.873 30 10 IJEE C=CCC1(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)CCCCC1 1563429362 MNUHKCKSGZDFSS-YLJYHZDGSA-N 437.987 4.819 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 1565182993 RGLSPTQLLVENKD-NRFANRHFSA-N 431.367 4.866 30 10 IJEE C=CC[C@@H](C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1)c1ccccc1 1583212529 QVZWRMFMMCCAQG-RUZDIDTESA-N 438.015 4.813 30 10 IJEE CC#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 1583661564 JSILZDWHCLHJPY-LRXXLLMYSA-N 430.935 4.879 30 10 IJEE C=CC1(CC(=O)N(CCc2ccc(C)cc2)CC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1586860426 ZIZJLWGZSFWYBV-UHFFFAOYSA-N 440.506 4.742 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 1587061596 CISHZNQUBFHLKZ-UHFFFAOYSA-N 430.220 4.843 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H](C)C1 1587798939 WRGSJPDOYDABGR-UFYCRDLUSA-N 429.609 4.636 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)CCC(C)C 1588550194 KHNNIYVYOPQDKV-VWLOTQADSA-N 428.596 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1589543912 CRJRCFSSWMFHBS-RRPUWOKSSA-N 445.007 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCCN(C)C(C)C 1589600263 ZFOXPLOLMGQBIN-UHFFFAOYSA-N 434.426 4.840 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1ccc(Br)s1 1594923253 KGPNZJKMGMTVPN-UHFFFAOYSA-N 428.359 4.506 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)C(F)(F)F)C1 1595707323 VNDDRAHJBFBAJG-AWEZNQCLSA-N 428.886 4.968 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C[C@H]1CCOC1)C1CC1 1595854448 BWTKDVZXUDVCPV-OAHLLOKOSA-N 436.984 4.662 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1Cc1ccnc(OCc2ccccc2)c1 1596822005 GHXVGHXWFHCGEK-IBGZPJMESA-N 430.556 4.554 30 10 IJEE CC1(C)CCC[C@@]1(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1 1611781705 ICOMSSQNWJZKPX-HSZRJFAPSA-N 427.980 4.670 30 10 IJEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)ccn1 1620230881 CRXTVFRGFLLASH-QGZVFWFLSA-N 432.597 4.854 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 1624366925 XYIFUHQHWATFRO-DNQXCXABSA-N 432.564 4.662 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(C)cc(CNC(=O)OC(C)(C)C)c1 1625806589 VODVQBUKMGJVNH-UHFFFAOYSA-N 425.529 4.906 30 10 IJEE C=CC[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)c1ccccc1 1627454508 HUJUYLXKRHZWQH-FCHUYYIVSA-N 438.369 4.518 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1I 1627512952 XOMUKBUYANMSGU-UHFFFAOYSA-N 431.277 4.773 30 10 IJEE C#CCOc1ccc(NC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)cc1 1627845062 DOHFNQNTFJOFKW-VWLOTQADSA-N 429.516 4.976 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc2c(nc1O)CCC(C)(C)C2 1629600578 HZQDKDAOYYCXAZ-UHFFFAOYSA-N 431.330 4.882 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4c(F)cccc4F)cs3)n[nH]2)c1C 1631719119 ZATQVYMLNGVCRF-UHFFFAOYSA-N 440.479 4.730 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(O)cc1C)c1ccc2c(c1)OCCO2 1633062954 QBUPOCBOZNZFBA-UHFFFAOYSA-N 445.515 4.813 30 10 IJEE C#CCN(C(=O)NCc1cccc2[nH]ccc12)[C@H]1CCOc2ccc(Br)cc21 1637932106 ILNFBWNBSCWYSZ-FQEVSTJZSA-N 438.325 4.599 30 10 IJEE C=CCn1c(SCC(=O)c2c(C)noc2C)nc2cc(-c3ccccc3)sc2c1=O 1640772002 MLYNXTZYHBDGGG-UHFFFAOYSA-N 437.546 4.891 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2ccc(C#N)c(Br)c2F)CC1 1642244003 HPZIUDKBMNAKPI-GFCCVEGCSA-N 426.330 4.589 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2coc3ccccc23)c1 1653370602 HDMVHYIAQSPJIT-UHFFFAOYSA-N 434.469 4.996 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cc(-c2ccccc2)n[nH]1 1655038300 APAJDSGYVCGWHA-MRXNPFEDSA-N 433.581 4.738 30 10 IJEE CCS[C@H]1CCCCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 1657292609 CQVBMITVNNNALW-FQEVSTJZSA-N 436.625 4.774 30 10 IJEE C=CCOc1c(Br)cc(CNCc2nccc3c2CCCC3)cc1OCC 1658592728 PCPTULXXALWFHB-UHFFFAOYSA-N 431.374 4.976 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C)c1ccc(Cl)cc1F 1658718316 HOGLNRXUIFCGEV-HXUWFJFHSA-N 427.907 4.956 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)cc1 1661849323 UQRJSSDQVCAZND-UHFFFAOYSA-N 429.948 4.700 30 10 IJEE C=CCC[C@@H](NCc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1661985746 DSBRFZRFGURCSC-IFMALSPDSA-N 425.577 4.647 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Br)cc1C 1662476766 WUESQCFJIUDDNJ-HNNXBMFYSA-N 428.779 4.877 30 10 IJEE N#Cc1ccc(C2CCN(S(=O)(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1 1666433257 HHXCEDUXAJQTFH-UHFFFAOYSA-N 432.545 4.706 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCC(C)(c3ccccc3)CC2)cc1 1667957243 ZBPLYVNUOAKKRS-UHFFFAOYSA-N 441.597 4.515 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC[C@H](CC)Oc2cccc(C(F)(F)F)c2)cc1 1668209796 ARZDXOCRAMVOCM-SFHVURJKSA-N 435.446 4.600 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCN2CCC3(CCCCC3)CC2)cc1 1673820305 WZAQVTGVMQCYSX-UHFFFAOYSA-N 438.616 4.669 30 10 IJEE C#C[C@H](NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 1674020312 HUWYAEAXQKFIDL-OALUTQOASA-N 433.733 4.560 30 10 IJEE C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1679943803 BVIGBRYWTWGWRL-LEOXJPRUSA-N 448.567 4.815 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1680405135 VSCRFJHVKGYXMZ-YJBOKZPZSA-N 425.932 4.536 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCCCC1 1689863349 SEVYWBYAWLJIGA-JOCHJYFZSA-N 437.632 4.623 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(C)(C)C 1689888317 GNOLMRIEQHDAMV-IBGZPJMESA-N 431.625 4.678 30 10 IJEE C#CCCCn1c(N2CCC[C@@H]2c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689941824 VLLOLHYWZJFWBJ-BHIFYINESA-N 449.599 4.804 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCSC1(C)C 1690035769 JFRGDLMFFAWQGY-SFHVURJKSA-N 444.551 4.541 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@H](C)C1 1690038461 QGTHFIGYEZYFFW-HKUYNNGSSA-N 439.401 4.915 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CC)C1 1690240101 BRETTWXBXPXEIB-WWNPGLIZSA-N 438.616 4.839 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690419988 HSPZIRLKVKCLNM-HOTGVXAUSA-N 449.441 4.557 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1690426748 ZHFGSWVQNYOHBE-JOCHJYFZSA-N 436.648 4.891 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1690445396 WWYOAAILPPJTEZ-HSZRJFAPSA-N 444.627 4.948 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@@H](C)C1 1690453927 NTMBVKIGJIIGRT-HNNXBMFYSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1690521649 DLAVLPKCPHFSTQ-DYESRHJHSA-N 425.577 4.851 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C2CC(C(C)(C)C)C2)C1 1690688235 QZYYDZGNIAMZAJ-MHJFOBGBSA-N 440.588 4.741 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(SCC)c2)C1 1690709160 CYZDWQHRDVHDQD-FQEVSTJZSA-N 440.638 4.872 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCC[C@@H]1C 1694238872 IBPMHXMQCOPNMU-URXFXBBRSA-N 434.632 4.824 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCC1(F)F 1695717015 CNIANEZXMPVUBJ-VQTJNVASSA-N 429.515 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC2(CCCCC2)O1 1705505430 KJLUDDCOLJLARJ-PLACYPQZSA-N 428.621 4.537 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1705680770 HEMCYVUIFXKETL-INIZCTEOSA-N 435.366 4.669 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1705689189 FEGVAXUEVMAUSV-HOTGVXAUSA-N 441.464 4.949 30 10 IJEE C=C(C)Cn1c(N2CC3(CCC3)C[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705728737 UPNMGAXNYOHEGX-CEXWTWQISA-N 429.609 4.784 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1705798568 WCQDSMMQHYDUPY-BVAGGSTKSA-N 443.599 4.630 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@]2(CCCOC2)C1 1705815110 LCROLGVCGQTZCO-RUZDIDTESA-N 440.588 4.716 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)S[C@H](C)C1 1705817232 FPIIURWWFMEROR-GUDVDZBRSA-N 449.665 4.689 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1705870814 YTSCXAPPNFWRIP-KNQAVFIVSA-N 438.563 4.713 30 10 IJEE Cc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)s1 1707739134 HUTRNXOPBISWLY-QGZVFWFLSA-N 446.502 4.717 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1708042595 DANOTCKFDJWMDG-ZJSXRUAMSA-N 448.659 4.887 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCc1cccc(C)n1 1722405943 SNCATPSLBLXAJN-UHFFFAOYSA-N 438.373 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1csc([C@H](C)OC)n1 1722513422 YJHFUIKEIGADCA-INIZCTEOSA-N 427.574 4.568 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N(CC)Cc1cnn(C)c1 1722598924 CSYFOCOGPISQJW-UHFFFAOYSA-N 443.393 4.824 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C)C1 1722621706 CJFCBJCRNWKGFO-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1722633864 GHASUWGXNMFMCP-KNQAVFIVSA-N 437.613 4.721 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1cc(F)cc(OC)c1 1722664291 VUIVGGOWESKSHS-OAQYLSRUSA-N 442.560 4.970 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1cc(C(C)(C)C)no1 1722676538 CRXUFXIXZMDJSK-HXUWFJFHSA-N 439.560 4.682 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1722734264 XWKODDCEFBBXBE-IRXDYDNUSA-N 433.419 4.719 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1726822050 FWGHAOJLAGTXKK-WOGXIUBCSA-N 441.645 4.668 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740565921 LFKHHCXDRXOXFW-HXUWFJFHSA-N 440.588 4.550 30 10 IJEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1740594048 ZNFVOWUVOOUTJT-HXUWFJFHSA-N 434.613 4.641 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccsc1 1740658916 OXCSSEQBXMIRSG-UHFFFAOYSA-N 432.593 4.727 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)N2CCCCC2)CC1 1740826399 IYKNTPVTJTYZKO-UHFFFAOYSA-N 428.024 4.943 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1740853410 CPUYWVLQMXMFTN-NZSAHSFTSA-N 442.489 4.730 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1740857479 NZRHVKJZSXUHEO-TZIWHRDSSA-N 430.556 4.664 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740875854 LDUONHOTUZAKEB-MOPGFXCFSA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCC1(C)C)C1CC1 1740906949 OOSBGYOBONGZRN-GOSISDBHSA-N 442.007 4.843 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1cccc(F)c1)C1CC1 1740913753 SPIYFBNHNALWOP-ZPMCFJSWSA-N 442.579 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(CC)C1 1740922311 CANPFXMQDCOSFR-KRWDZBQOSA-N 443.020 4.589 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CC(C)(C)OC[C@@H]1C 1741004946 QKXXCJMKXKNEBD-KRWDZBQOSA-N 448.658 4.502 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCOC1CCCCCC1 1741246009 DVOSSVYPQVSINW-FGZHOGPDSA-N 443.636 4.676 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC)[C@@H](C)C1 1748731548 GFBSSKQXFIGJFO-VQTJNVASSA-N 444.023 4.632 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749353853 BXYUPZNOYJEUDP-GGAORHGYSA-N 437.632 4.727 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749353855 BXYUPZNOYJEUDP-JTHBVZDNSA-N 437.632 4.727 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]2CSC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749408065 FBBOCHIXWBRZHO-CEXWTWQISA-N 449.665 4.737 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749413451 VNLDODXOGIHYAJ-WSTZPKSXSA-N 429.996 4.711 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@H]1C(C)C)C1CC1 1749510656 NOLVFTCRTIJHCR-PXNSSMCTSA-N 432.515 4.762 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1 1751087354 HEFAJIZCXFGEQT-GOSISDBHSA-N 444.564 4.625 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCc2cc(C(F)(F)F)ccn2)C1 1751276353 BJQQOANUWDZLIK-NRFANRHFSA-N 432.494 4.722 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C(C)(C)C 1760163185 OEXFHPWXFIOUGG-MJGOQNOKSA-N 432.996 4.819 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cscc1C(F)(F)F 1760164486 SZAKFQOTBVNKDV-ZDUSSCGKSA-N 438.450 4.755 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H]1CCCCO1 1760212876 HUMYSWURFSDFSH-OAQYLSRUSA-N 436.625 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCC[C@@H]1CC 1760216322 JJCZZBNUZZEOKM-RBBKRZOGSA-N 427.552 4.889 30 10 IJEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)CC=C)CC1 1760264359 JZIHQUBFYCLLMW-UHFFFAOYSA-N 449.643 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccon1 1760319074 QMWQJGVDNPQMAP-LIRRHRJNSA-N 448.354 4.858 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(CN3CCCCCC3)CC2)nnc1C(C)(C)C 1760327764 LQZVBEOKPVTAEX-DHIUTWEWSA-N 443.680 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H](C)N1CCCCC1 1760333967 LFGYDOPSHUXCPV-QFIPXVFZSA-N 447.631 4.798 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760342121 UFHPDHVQUYIAKE-QFIPXVFZSA-N 446.599 4.516 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)OC)C1 1760406880 ONUNAZRIKTZIES-SJORKVTESA-N 446.979 4.673 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCc2cccs2)CC1 1760411537 ASXNEZCQAQFTDE-OAQYLSRUSA-N 443.661 4.548 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760442866 WDAWCCDZBKQUTP-RUYXUALKSA-N 431.378 4.821 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCCC1CCOCC1 1760483541 TWJROVKJZLHJDF-UHFFFAOYSA-N 437.563 4.822 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3ccc(SC)cc3)nc12 1859656092 OMDNIFSNEWENJI-UHFFFAOYSA-N 429.505 4.583 30 10 IJEE CCN(CC)Cc1ccc(COC(=O)C(=O)/C=C/c2ccccc2Br)cc1 1860737685 NEKBYZGLSRMKRG-BUHFOSPRSA-N 430.342 4.617 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(OC)c(OC)c(OC)c1 1861069872 BCDJMRCKVUIRJY-FQEVSTJZSA-N 448.604 4.574 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861208693 OAJPIPLFLCDMOC-LADGPHEKSA-N 447.639 4.799 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1 1862090313 FVNKBZSODWPBRJ-GOSISDBHSA-N 438.531 4.702 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862411165 AVJNHGJTYNLQHL-LJQANCHMSA-N 427.428 4.510 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)cc1 1862480000 VOWVKJGQCPWKHR-AMHTUMDSSA-N 447.531 4.939 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(O)c2)cc1 1862531586 ACAVVKQUBJYCBI-HSZRJFAPSA-N 431.463 4.872 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2cccc(O)c2)c1 1862554473 DKNIIPXCNLPKCM-XMMPIXPASA-N 442.515 4.576 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(Cl)cccc2Cl)c1 1862562640 KIUIKSJOSXZLDY-IBGZPJMESA-N 443.286 4.947 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1862584336 WKOJWJRWPZWTSD-MGNBDDOMSA-N 436.291 4.781 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CC)cc1OCC 1862603262 VYDRNLSUCUPTBN-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1F 1862638932 NIOVFBAYRNXPIZ-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F 1862674041 RMNPISHZYRUACK-QFIPXVFZSA-N 442.506 4.665 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2OC)c1 1862674427 WQYCSVJIAPMEOI-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 1862828491 KVFWXJVVLGEDRZ-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862884793 BSHMFSVTXYLLPM-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862955763 FTZSNIDDPUVNPR-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CN(C)c1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863076474 PIJRCAZUDGFNFA-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(C)ccc2C)C(=O)N(CCN(C)C)C1=O 1863737604 GPVAYOGIYGYHFM-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccccc1Cl 1864225887 YTVWVZPCLQKGAT-LJQANCHMSA-N 448.954 4.610 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1ccc(C#N)cc1 1866724791 PNPBPDLZKLGUKX-BJKOFHAPSA-N 449.620 4.935 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@@H]2C)nc(-c2ccc(OCC)cc2)n1 1869340897 SBOHOCJYOSZKOC-SFHVURJKSA-N 430.556 4.568 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)CCCOc1ccccc1C(C)C 1870111677 YIWHGFQIJGFPEX-UHFFFAOYSA-N 431.540 4.736 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CSCC 1870292484 DKGHDKUXXXDYKK-UHFFFAOYSA-N 434.602 4.750 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CSCc2ccccc2)cc1=O 1870298882 ORWIHIBYHAUQSC-UHFFFAOYSA-N 449.572 4.554 30 10 IJEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCC[C@H](CO)C1 1871398345 DQHHGEMHVBYXES-QFUZRPNGSA-N 434.319 4.520 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871425190 BTCCCJRPFXKKFY-ZKDCOOFMSA-N 427.456 4.911 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(O)cc2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871443118 PWNXEHANMWVHJA-MTJSOVHGSA-N 435.863 4.988 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871803384 VUYGHHHSCBEECV-NRFANRHFSA-N 434.989 4.859 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1871852253 HRDLFJTXHLPFJP-OAQYLSRUSA-N 432.561 4.591 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872289878 BNTXVNYQUWELEF-CYFREDJKSA-N 440.609 4.611 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872292248 RXNVRFYSASDKKQ-SFHVURJKSA-N 434.989 4.778 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874305783 OTMAWZMWQNWYSN-YZSQISJMSA-N 429.549 4.641 30 10 IJEE C=CCSc1nnc(CCOC)n1/N=C/c1ccc(OCCCCC)c(OCC)c1 1874473294 WOKQDLBAKHLKMK-HAVVHWLPSA-N 432.590 4.595 30 10 IJEE CCCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874480454 XMBXXKKVOMYRHR-MFKUBSTISA-N 441.988 4.565 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1cccc2ccccc12)Nc1nccs1 1874493200 ZZQIBUJGFOUIGS-ZMOGYAJESA-N 448.577 4.768 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C(C)(C)C)ccc1OCc1ccccc1F 1874559153 ABBVSXRLGWQGNH-ZMOGYAJESA-N 428.533 4.863 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC(=O)Nc1ccccc1C 1874592850 FQFSUXRWSTYLBV-ZRDIBKRKSA-N 446.459 4.825 30 10 IJEE COC(=O)COc1c(OC)ccc(/C=C/C(=O)c2cccc(Cl)c2)c1Br 1874595276 CICRMLVGUJLREU-SOFGYWHQSA-N 439.689 4.559 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1Br 1874619880 XIURHQGACUTOOC-SOFGYWHQSA-N 446.341 4.567 30 10 IJEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] 1874698065 JRBVGQANUDUAIH-VZUCSPMQSA-N 448.387 4.627 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1 1875118961 XHPXMPLYCLQQJW-NTUHNPAUSA-N 433.416 4.727 30 10 IJEE C#CC[C@@H](C[C@@H](NC)c1cc(Br)ccc1I)C1CC1 1887490992 XXHYMYCGTGTFIW-BLLLJJGKSA-N 432.143 4.754 30 10 IJEE CCCOc1c(Br)cc(Br)cc1C=N[S@@](=O)C(C)(C)C 1911848845 HWUNJCUQHBNMMR-FQEVSTJZSA-N 425.186 4.882 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922077473 NYXYKFRLWXVRNR-JYFHCDHNSA-N 440.584 4.992 30 10 IJEE CC[C@H](C#N)Nc1cc(Br)c(I)c(Br)c1 1931648838 DBGBRMMEARMGLA-ZCFIWIBFSA-N 443.908 4.530 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1962793653 BMWRZJSMLAIRRX-UHFFFAOYSA-N 435.362 4.517 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCCC[C@H]1C#N 1962933296 JGJSUDXIZXHRDL-MUEKUWCCSA-N 445.563 4.748 30 10 IJEE CC1(C)C[C@H](CNc2cc(Br)c(C#N)cc2F)N(C(=O)OC(C)(C)C)C1 1965609586 LQKSLOGNYLTCGO-CYBMUJFWSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCC2 2011893011 QMJIMVXGWSGWTB-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE COCCCCN(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2034738902 CNGGPHVANHUWQI-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE COc1cc(C=C2CC(C)CC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O 2040454983 LFKMHTCTEVZNSZ-UHFFFAOYSA-N 440.492 4.598 30 10 IJEE C=C(COCCC)[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041913052 ZOFKVWWXCHCGRZ-OZXSUGGESA-N 446.632 4.791 30 10 IJEE Cc1ccc([C@@H](n2nc(C3CC3)c(/C=N/O)c2I)C2(C)CC2)cc1 2079002970 RPASPCJATNXMSS-LASGFXPTSA-N 435.309 4.871 30 10 IJEE CC[C@H](c1ccc(OC)cc1F)n1nc(C2CCC2)c(C#N)c1I 2080062971 WNPGRMBSFARAAD-MRXNPFEDSA-N 439.272 4.774 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 2102887306 RTFSXXSVACPIBO-DLBZAZTESA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNc2cc(Br)cc(C#N)c2)C1 2163253494 JITDSQKYORHLRH-IUODEOHRSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2cccc(Br)c2C#N)C1 2174807742 FXBICJKTMVSJFK-ZDUSSCGKSA-N 444.320 4.792 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c2ccccc12 2180952128 GNUSSVSBEPBONA-GOSISDBHSA-N 431.330 4.848 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(CCC#N)CC2)cc1Br 2181049385 MBQFBUGKFRQKFQ-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Oc2cc(Br)cnc2C#N)(C(C)(C)C)CC1 2198814973 GXLISFROOFAHOB-UHFFFAOYSA-N 438.366 4.910 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CCC 2224263416 WKNDDBURTZBZOY-YOEHRIQHSA-N 429.403 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1cc(Br)cc(C#N)c1 2226200551 DBRZQLCPASMIEG-HNNXBMFYSA-N 430.293 4.767 30 10 IJEE N#CCOc1ccc(CNc2ccc(Br)cc2I)cc1 2240329720 UFDSDJKJWDHFIS-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1 2266993682 KTAYLCLCBAQUHP-UHFFFAOYSA-N 444.381 4.691 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)CC#CC1CCCC1 2289900497 DPCPIYBDDIMDIL-VQTJNVASSA-N 436.390 4.830 30 10 IJEE CC1(C)C[C@@](C#Cc2cccc(Br)c2)(OCCN)[C@H]1OCc1ccccc1 2296271786 HEUMZVVGVGKNBJ-JTHBVZDNSA-N 428.370 4.530 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 2296294564 VTPSVQYHPJMWQN-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1ccc(C(=O)OC)cc1 2297462973 PYYUBFNTSIZORH-UHFFFAOYSA-N 445.338 4.860 30 10 IJEE c1csc(CN2Cc3cc4cc5c(cc4nc3SC2=NC[C@H]2CCCO2)OCO5)c1 2297706577 RYBZNTPDVWWUIS-MRXNPFEDSA-N 439.562 4.668 30 10 IJEE COc1cc(C=C2SC(=Nc3cccnc3)N(C3CCCCC3)C2=O)cc(OC)c1O 2314540758 XQANGVKIKNWMDB-UHFFFAOYSA-N 439.537 4.741 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Br)ccc2OCC(=O)OC)cc1 2322607211 NNEUTQKYMITZCF-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE Cc1c(OC(=O)c2ccncc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2322828420 MTYQAVXYCOYYOI-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1 2323094344 HFWFKXKCJWZXPB-IBGZPJMESA-N 445.515 4.856 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)OC(=Cc1cccc(F)c1)C2=O 2323120269 MASDXCFJJVTQEM-UHFFFAOYSA-N 434.419 4.743 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)OCC(C)C)c(OC)c2)cc1 2323627309 KVEMQUCBHKYGNI-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2c1ccc(O)c2CN1CCC[C@H](CO)C1 2324209773 UTXBNGFMMWJFST-FQEVSTJZSA-N 441.527 4.880 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Br 2324241652 FLMHYSZZOOSIET-UHFFFAOYSA-N 438.268 4.528 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C(C)=O)c4)ccc3C2=O)cc1 2325382654 OPBBPFIACNWVPZ-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)c1 2325744035 IASMRNXVUBBFSH-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccccc1OC 2326876406 ZDABKSBRVRNIDR-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccccc1C(=O)O 2327978458 IEZCPJVRBXSCSZ-UHFFFAOYSA-N 428.945 4.799 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cccc(C)c1 2329460966 OETZDWGEXAKPRL-UHFFFAOYSA-N 436.581 4.722 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2329837276 UQGYVZOMKADGEY-UHFFFAOYSA-N 440.544 4.966 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)Nc4cccc(C#N)c4)ccc3C2=O)c2ccccc21 2329999848 WBBRHGLKXOLUMF-UHFFFAOYSA-N 449.466 4.684 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1Cl 2330537157 KBLMKJGNXPYOEU-UHFFFAOYSA-N 433.990 4.503 30 10 IJEE Cc1ccsc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(F)(F)F 2331124125 VWFHVMBVIKFMIJ-UHFFFAOYSA-N 427.433 4.750 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331434335 NYJRCZKSIKKZLP-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1F 2331453602 LGPRGMSGPLJANG-UHFFFAOYSA-N 448.512 4.796 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2331592423 IBKWBHNKOWOFGG-UHFFFAOYSA-N 433.493 4.660 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339536034 OLUQGSNOOUSBEX-LJQANCHMSA-N 443.397 4.562 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)n1 2362163394 FBESFWRUOAMURP-MZURWIMNSA-N 448.416 4.509 30 10 IJEE Cc1cc(CN(C)Cc2sccc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369722537 APRUMYKCZKOMPJ-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C2=O 8823804 LQGYHGWVDFBARW-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)cc2C1=O 10690403 BWONKUSKTVCLBR-HSZRJFAPSA-N 449.510 4.512 30 10 IJEE CC(C)CCOc1ccc(C(=O)NC(=S)Nc2cccc(C#N)c2)cc1Br 14645795 JDDFZVLKSUDEKA-UHFFFAOYSA-N 446.370 4.872 30 10 IJEE C=CCn1c(SCC(=O)NC(C)(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 17131718 POCQALPUOLEKMF-UHFFFAOYSA-N 427.595 4.626 30 10 IJEE C=CCn1c(SCc2cc(F)cc3cccnc23)nnc1[C@H]1COc2ccccc2O1 31613039 UYFVOXRUCDVPBU-HXUWFJFHSA-N 434.496 4.956 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)c(OC)c1 41430625 ZQXBQKLMTMRDLB-JJFYIABZSA-N 434.419 4.987 30 10 IJEE O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)/C1=C(/O)c1ccc(Cl)cc1 102523193 WOPTWPFWTIOJOD-CKXBDKALSA-N 432.303 4.594 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccnc1 170006177 XWVUTWZZSOCACR-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cn(C)c3ccccc23)cc1 170084469 HEHKKLDFSYZJJK-HSZRJFAPSA-N 426.472 4.858 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)o2)c1 170102632 ZSWHNHXKNHICAM-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(O)cc1)c1cccc2ccccc12 170135001 RIBDSAHIVOTIJU-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(OC(C)C)cc1 170152191 QSNUIMCSUICLGF-QFIPXVFZSA-N 441.499 5.000 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccn2)cc1C 170172188 BAFHQIQXGKGFHY-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccccn1 170175047 XJANLENHCAXLTE-JOCHJYFZSA-N 444.487 4.504 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2sccc2C)c(C)c1 170317100 CACPXXGVGGDVRD-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(O)/C=C\c1ccccc1 254407524 DXRNOFPZWAOQQM-RYOIHSBRSA-N 426.428 4.777 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@H](CCOC)C1 460393937 LGWUCOBRXXDXKI-LJQANCHMSA-N 428.577 4.572 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 460807457 ZTZYUYIBNJIVFY-QFIPXVFZSA-N 448.567 4.834 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)o2)cc1 505971001 MIUKJUNNHPRFCJ-SFHVURJKSA-N 429.398 4.683 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 508800469 GIYSGSXYLPNVGT-FDDCHVKYSA-N 431.515 4.573 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 508887799 KLTROBJAFMGGQX-UHFFFAOYSA-N 439.604 4.586 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 516586701 OKDFLWQCUHKHOZ-IBGZPJMESA-N 441.626 4.798 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2O)c1 526743883 GIKOSELNAZFIBY-QHCPKHFHSA-N 429.472 4.964 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526802402 GDTLRDUJOQYCND-CFRMEGHHSA-N 444.532 4.570 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1 549265481 CAAVKJHNWUWHAU-UHFFFAOYSA-N 443.020 4.917 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccccc2)CC1 549541842 HLJQPCHDVVPBNF-UHFFFAOYSA-N 436.357 4.886 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 558983179 SDDYJOJDCCYUHC-DEOSSOPVSA-N 448.567 4.637 30 10 IJEE C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 581956393 LSITYJQCXLXZJB-PBDKAQRYSA-N 446.595 4.761 30 10 IJEE C[C@H](NCc1ccc(C#N)cc1F)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 610812584 LZCHWQLBIAKHJD-KRWDZBQOSA-N 429.561 4.549 30 10 IJEE CCc1c(NC(=O)NCc2ccc(C#N)cc2F)cnn1-c1ccc(C(F)(F)F)cc1 616871023 KTQUMPOIHDXYEB-UHFFFAOYSA-N 431.393 4.786 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)[C@@H]2CCCN[C@@H]2C1(C)C 693777255 XJTNCIMJSAQQKD-LLGFUMIMSA-N 434.378 4.861 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@](C)(C#N)c1cc(Br)ccc1F 698436930 JIRTULTZGACMIM-IFXJQAMLSA-N 427.314 4.743 30 10 IJEE C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740058854 DMGSVUJZVRUMCC-KRWDZBQOSA-N 442.548 4.770 30 10 IJEE C/C(=C\c1ccc(C)cc1)C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 778907941 OYCCGYCHAOWVMW-SFQUDFHCSA-N 431.492 4.512 30 10 IJEE Cn1nc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1-c1ccc(F)cc1 1125025533 GRAOKIPHAHFAFY-UHFFFAOYSA-N 426.451 4.929 30 10 IJEE N#C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)CCN1Cc1ccccc1 1126036591 CZLSRTWOMVTKDT-NRFANRHFSA-N 431.923 4.982 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 1126063043 IGFDAKDWSIRJKP-NOZRDPDXSA-N 426.601 4.980 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 1126931317 PESOWLZUSBOBMM-KRWDZBQOSA-N 449.469 4.924 30 10 IJEE C=CCN(C(=O)[C@H](C)Cc1cncc2ccccc12)[C@H](Cc1ccccc1)C(=O)OCC 1128002997 FNJWMUMCZDHSNB-CJFMBICVSA-N 430.548 4.602 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(I)cc1F)c1ccc(F)c(F)c1 1128248791 HSSWKZBPXGWGFG-INIZCTEOSA-N 431.195 4.756 30 10 IJEE CCCc1c(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cnn1-c1ccc(F)cc1 1128369268 FAOIRFUSNPULJP-UHFFFAOYSA-N 432.377 4.986 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCc3cc(OC)cc(OC)c32)s1 1129759002 FUQIJSLVKOFEHF-UHFFFAOYSA-N 439.002 4.835 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H]2CSCc3ccc(Br)cc32)c(OC)c1 1130864514 AHIIUYUJZRJFCL-SFHVURJKSA-N 448.382 4.669 30 10 IJEE CC(C)[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)NC(=O)OC(C)(C)C 1136743836 DFJVDZYSCCRJMR-FQEVSTJZSA-N 439.581 4.989 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 1137018498 UVMPBIIUPVENBS-BWKNWUBXSA-N 431.536 4.643 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1137381039 HIJKVKVGPCZEMB-MRXNPFEDSA-N 432.536 4.605 30 10 IJEE C=CCN(C(=O)CCc1ccc2ccccc2c1O)[C@@H](Cc1ccccc1)C(=O)OCC 1138238620 BNIYRFANYHASQL-DEOSSOPVSA-N 431.532 4.667 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 1139186552 ORYOOJFFUOHDPZ-INIZCTEOSA-N 433.505 4.628 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C\c1ccc(Br)cc1 1141359417 RMPFXFUDHGPIAW-GIFJBRJJSA-N 437.378 4.828 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)C[C@H](CC#N)c1ccccc1 1162711973 FFQIQZSXPDEJIR-FPOVZHCZSA-N 425.573 4.712 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)CCC3CCOCC3)c2C#N)C1 1167704978 FTWCQZIPBQMSEZ-GOSISDBHSA-N 431.646 4.848 30 10 IJEE C#CCN(CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)Cc1ccccc1 1170094830 KHTXHEXIKCGHAQ-JOCHJYFZSA-N 439.559 4.594 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1C 1191380913 CUHYFQZFHGUXJW-NOZRDPDXSA-N 432.612 4.535 30 10 IJEE COc1ncc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1C#N 1209050230 BQKJEVFPEAUORK-IBGZPJMESA-N 437.297 4.635 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccc1 1213548912 SDYZUPRNMOFYCK-SFHVURJKSA-N 437.334 4.836 30 10 IJEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 1214623362 IEBCNQWIGLVNBG-QHCPKHFHSA-N 441.535 4.526 30 10 IJEE C#CCN(C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCc2ccccc21 1224839765 YCPZFFWBFSLDTE-ATIYNZHBSA-N 439.600 4.746 30 10 IJEE C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1233981017 BPVCQXHZEUMCOU-RIEVBORMSA-N 426.520 4.901 30 10 IJEE C=CCn1cc(CNC(=O)N(C)[C@@H](C)c2ccccc2Oc2cccc(Cl)c2)nn1 1252077532 XYXLWGYGSAULNB-INIZCTEOSA-N 425.920 4.812 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(OC)cc2OC)cc1 1265190874 CUMLKYFBRMNQSE-SANMLTNESA-N 445.515 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC)CCCC1 1286291746 YDDOIZLYBOBUJS-LJQANCHMSA-N 446.599 4.664 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286343409 INIFSKSMCWGVDK-UHFFFAOYSA-N 434.359 4.819 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(F)(F)F)C1 1286349131 UGVRPXHLGHIMBO-KRWDZBQOSA-N 429.446 4.792 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCN(C(C)C)C1 1286362515 FHRMAZLZEROYRL-FQEVSTJZSA-N 448.640 4.567 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1286449205 OADHNIFFDUHOHG-UHFFFAOYSA-N 432.597 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)CN1CCCCC1 1286527265 GOPMKCPGDOPFOY-JIPXPUAJSA-N 449.643 4.588 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N(C)C[C@@H](C)CC 1286547031 HRVDHFBJFPGLBF-AWEZNQCLSA-N 439.423 4.970 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1cccc(Br)c1 1286549339 XNOBCXMPVPQMEX-MJGOQNOKSA-N 433.394 4.782 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1OCC[C@H]1C 1286680991 HJMHXTKIQFEDAV-CRAIPNDOSA-N 436.398 4.643 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286693750 ABOYOJHGLOFSNP-FQEVSTJZSA-N 435.572 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1c(F)cccc1N1CCCC1 1286759511 PLXWYDDTXXQWIC-UHFFFAOYSA-N 437.588 4.896 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 1288364078 HDPBRSZBKIUAEU-SFHVURJKSA-N 437.525 4.702 30 10 IJEE CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCCN(C(C)C)C1 1291463774 GXNRFBYTXHMOSP-REWPJTCUSA-N 434.632 4.953 30 10 IJEE C=CCOc1ccc(C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)cc1OC 1294131586 WCUMKARXZGEQCA-UHFFFAOYSA-N 436.552 4.806 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(Br)cc1 1297122082 KUMLCNWPSHKCEJ-RHSMWYFYSA-N 425.367 4.876 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCc2cccnc21 1300273579 GDORNOSXJDZRLF-CMKODMSKSA-N 433.531 4.530 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1300373238 SVESDHCZTYBIBH-OAQYLSRUSA-N 426.630 4.934 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1300648910 QQIONCBBMDKQOP-NZQKXSOJSA-N 435.547 4.503 30 10 IJEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC(C)(C)C1 1300848285 CGCVGJGKWRBOBC-RDTXWAMCSA-N 447.377 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC12CCC(CC1)C2 1300904662 DSBNDJGGUBIPTN-UHFFFAOYSA-N 440.588 4.954 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(N(CC)CC)CC1 1301145668 DAVCRMSOWJOXKF-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 1301203873 HDVQBQMUMRMSFS-MRXNPFEDSA-N 434.506 4.845 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](C)C1 1301396807 FNGFYVBWEKZIPL-ZCNNSNEGSA-N 429.609 4.965 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)cc2)nnc1-c1ccccc1OC 1307251841 HVEMJAJEOBAGGT-GOSISDBHSA-N 429.929 4.800 30 10 IJEE C=CCN(CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](Cc1ccccc1)C(=O)OCC 1307684761 PASDYCGGQRNFBZ-XZOQPEGZSA-N 444.616 4.686 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)N1CCCC1 1314739405 CBQCXGDCSRTGTO-NRFANRHFSA-N 448.640 4.982 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)CC1 1315238609 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10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC=C(Br)C1 1359048846 CGBVYBDNEKFROU-LJQANCHMSA-N 445.430 4.675 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359076606 GZPBLNWBMAAFRB-DNVCBOLYSA-N 449.393 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1c(C)nn(C)c1C 1359108856 GDAZSASRYBSOLB-INIZCTEOSA-N 438.645 4.932 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(OC(C)C)nc1 1359115243 PXRLIMFQEFRQFH-UHFFFAOYSA-N 444.583 4.983 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2(COC)CCCCC2)CC1 1359181763 HBVUMTKOWRZHGM-UHFFFAOYSA-N 442.579 4.996 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1359212859 ABPKTDANYGQMCQ-HXUWFJFHSA-N 448.615 4.536 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1CC1(SC)CCOCC1 1359275238 OEYVEFDIMRXZRX-UHFFFAOYSA-N 426.630 4.693 30 10 IJEE C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1359853149 GGPNQOLYUNHKQW-JOCHJYFZSA-N 441.575 4.507 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1360321507 MZBHCAGPVRUPLK-UHFFFAOYSA-N 428.467 4.568 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccc(F)c(F)c1 1435951347 OCROGXAZZCWGCS-QHCPKHFHSA-N 446.453 4.808 30 10 IJEE CC(C)(C)C1CCC(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1457664877 FDNDULJNFYIEGC-UHFFFAOYSA-N 438.572 4.991 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccccc1 1461149327 QUXHGINHAXSNFB-FQEVSTJZSA-N 434.337 4.618 30 10 IJEE CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[C@H]1c1ccccc1 1463253031 DQLHLVUBJRWITJ-DNVCBOLYSA-N 433.371 4.525 30 10 IJEE C=CCn1c(S)nnc1Cc1csc(NC(=O)Cc2csc3sc(C)cc23)n1 1464710842 DBPUUYBLAHIIIB-UHFFFAOYSA-N 447.636 4.566 30 10 IJEE CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)Cc1noc(C)c1C#N 1465129182 BZYSWPKBTWDWRG-UHFFFAOYSA-N 431.536 4.950 30 10 IJEE C=CCC[C@H](C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)c1ccccc1 1468145399 LYWBYNUIAXDMBV-UZLBHIALSA-N 434.349 4.605 30 10 IJEE Cc1ccc2c(c1)CCN(C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)C2 1469197360 AEEACINPIWHOGP-UHFFFAOYSA-N 441.556 4.796 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1 1471245635 JUSXTYFRKXNDJA-OAQYLSRUSA-N 445.604 4.991 30 10 IJEE C[C@@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1472679142 DBRZFOPMBZKNFM-MSOLQXFVSA-N 437.588 4.931 30 10 IJEE C=CCn1c(SCCN(C)Cc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472907322 ARHABKCXBBJCCO-KRWDZBQOSA-N 439.650 4.993 30 10 IJEE CC(C)(C)OC(=O)CC[C@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1473558291 HKCVXWCGLNVANN-QGZVFWFLSA-N 445.629 4.661 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)cc1 1476113072 FXDAFKIWCHYQOK-UHFFFAOYSA-N 444.491 4.995 30 10 IJEE C#CCOc1ccc(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1476151262 XSGYDTIQKKVYIT-SFHVURJKSA-N 435.524 4.749 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1 1477130280 JDCYZHCFRUCOKR-OAQYLSRUSA-N 437.544 4.566 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H]1CCC2(CCOCC2)CO1)c1ccc(C(F)(F)F)cc1 1478273387 WRVMSOMAOXVLTR-WOJBJXKFSA-N 440.506 4.988 30 10 IJEE COCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC#N)CC1 1504546991 AGMWKWXIYSRICN-QGZVFWFLSA-N 441.645 4.934 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1Br 1507754241 ABJYYMHDSGJZJP-UHFFFAOYSA-N 447.446 4.776 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H](OC)[C@@H](C)CC 1507769672 MAKFBSHXDJODST-KPDCDPCYSA-N 430.980 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@H]1C 1507795805 KELQMFAORQGBCG-POAQFYNOSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(OC)c(F)c1 1507824302 XDNHJTJVSJEONP-DENIHFKCSA-N 444.595 4.990 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(CN(CC)CC)c2)CC1 1507882939 PJZKAUMFQLQBNJ-UHFFFAOYSA-N 430.600 4.695 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCSC(F)(F)F)CC1 1507887596 DJOLKXKJPGASMT-UHFFFAOYSA-N 426.508 4.883 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCCN2CCC)CC1 1507888202 KKEJZEFJDQAIKM-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1507891732 FRENOMKMJKETAD-CPJSRVTESA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1507912079 LVWDUROOSBUINO-LJQANCHMSA-N 436.579 4.740 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C)C1 1507920025 UFQLRCYSMOSYEO-HNNXBMFYSA-N 439.387 4.991 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1507931892 HVJOSHWUARAMAA-FQEVSTJZSA-N 436.629 4.950 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)c1cccs1)C1CC1 1507996204 UJLIBJBKOBKMSF-DEOSSOPVSA-N 438.597 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1Cc1nccs1 1508008784 TXDWKZCYBRXTLD-UHFFFAOYSA-N 425.558 4.767 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCc2cc(F)cc(C)c2C1 1508047058 LETXPRIXOLPMET-UHFFFAOYSA-N 433.350 4.965 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1508159044 PVRYHFJGFOWQJD-YLJYHZDGSA-N 426.611 4.892 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1508162343 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4.693 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)cc(C)c2OC)nnc1-c1ccco1 1533244173 WUEQSPZLRQMBDB-UHFFFAOYSA-N 432.933 4.815 30 10 IJEE C#C[C@@H](NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)C1CCOCC1 1533500778 LEPZQDDFFKXFMD-GOSISDBHSA-N 442.346 4.555 30 10 IJEE CC(=O)Nc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc1 1536616420 CVWILPTYTGHEDO-QGZVFWFLSA-N 430.533 4.626 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 1537056371 DCXWKBVSZYQLDG-UHFFFAOYSA-N 449.304 4.940 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1538986901 OYEJTNQAPGPDCS-YTZAWJCFSA-N 444.023 4.576 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cc(Cl)ccn1 1539049473 OLEVXFGUBXWVFY-UHFFFAOYSA-N 445.958 4.824 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1539504564 KDSWVDNFMCBJEM-AWEZNQCLSA-N 439.412 4.622 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC(C)(C)CC1 1539505935 NYNOHYFYBGOUEL-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC(CC)(CC)OC 1539541402 HBBAONOFSKZSQJ-OAQYLSRUSA-N 445.405 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCc1csc(C(C)(C)C)n1 1539563571 ODKRCCKQQLQGBC-XMMPIXPASA-N 425.646 5.000 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(C)C)C1 1539702028 XLKGCBRTHBZVBM-VQTJNVASSA-N 431.625 4.841 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539730515 PCKAUJSKEDYVMC-WBVHZDCISA-N 447.004 4.613 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1539840448 SVDWYHUDFHHEBC-SFTDATJTSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1539882498 MOKJKZJPFWIVBP-UHFFFAOYSA-N 449.502 4.880 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1539963526 WKVPHFKKMBWIRT-UGKGYDQZSA-N 427.568 4.730 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCN1CCOCC1)C1CC1 1540098826 JEOPMUCSUASUBM-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(COc2ccc(C)c(C)c2)n1CC(F)(F)F 1540188904 ATCKOYQYFBJNIW-UHFFFAOYSA-N 434.462 4.864 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cc(C(C)(C)C)no1 1540193889 DFCNAXUCVKZIMI-UHFFFAOYSA-N 447.942 4.710 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C2CCCCC2)C[C@@H]1C 1544331091 BVGKGVDBVVJVBL-RTWAWAEBSA-N 434.632 4.954 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C 1544628812 OEAHTFASOSLICJ-FQEVSTJZSA-N 431.577 4.569 30 10 IJEE CSC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CC1 1555858346 GSVXTMMRIBKGGD-IIBYNOLFSA-N 429.565 4.583 30 10 IJEE COc1cc(N[C@H]2CCCN(c3cc(Br)c(C#N)cc3F)C2)cc(OC)c1 1559136761 CIYRYPPWWJZGGI-AWEZNQCLSA-N 434.309 4.558 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)cc1OC 1560422205 JGELURHUEMUESN-KPOBHBOGSA-N 426.395 4.952 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CCCc1ccccc1 1561403184 ADJGLSZSNMIQAU-HXUWFJFHSA-N 447.398 4.887 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1564035564 DHHXMVOTDLRJHF-PMACEKPBSA-N 445.922 4.719 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1564036044 MSXMIPZHTHFDEM-QFIPXVFZSA-N 439.556 4.659 30 10 IJEE C#CC[C@H](NC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)c1ccccc1 1564385311 NFZQFQSVXFZEAW-QFIPXVFZSA-N 433.552 4.938 30 10 IJEE C=CCCCCCN(C)C(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1564453909 ZWNBEODQWUDQOB-IBGZPJMESA-N 425.495 4.584 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 1565019202 KWHXSEHAUGVLPE-VWLOTQADSA-N 426.532 4.823 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)c1ccccc1 1566494556 NYKLBQWKRZAWEO-DEOSSOPVSA-N 432.545 4.599 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCCc3cc(C#N)ccc32)cc1Br 1583466357 CFWKAKRTYNTFQO-UHFFFAOYSA-N 434.131 4.985 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3ccc(-c4ccncc4)cc3)n[nH]2)c1C 1587511911 HDQGKMZGCFHPOH-INIZCTEOSA-N 426.524 4.629 30 10 IJEE C=CCCC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1587776947 XBMACRRWJGALOU-QGZVFWFLSA-N 435.406 4.718 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1587837372 BFDHRMBIWYMJRO-RTBURBONSA-N 442.007 4.533 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCO[C@@H]1CCCC[C@H]1C 1588472563 GKYUWNKOFJWWRC-DENIHFKCSA-N 426.580 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCOc1ccccc1C 1589176845 ABHDAZFSZPXOJC-XMMPIXPASA-N 435.959 4.763 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCO[C@H]1C 1589600250 YVWJNIGOFNVIJI-NYHFZMIOSA-N 447.004 4.756 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1594071044 XNJUNWNOTGMZTK-AUSIDOKSSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1594477731 INGQQKMYOQSHFR-SFHVURJKSA-N 438.551 4.837 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1594692671 CCUPXKWRXPCKDP-HZPDHXFCSA-N 431.378 4.917 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1 1595239672 PYYITPHJOBXPLK-HSZRJFAPSA-N 433.625 4.785 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)C1 1595688467 JUSRKLRGJPBFIG-NQIIRXRSSA-N 433.581 4.538 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C(=O)OCC 1598350285 KBDNCCCPSARSOU-OAHLLOKOSA-N 427.444 4.941 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(NC(=O)C3CCCC3)c2)o1 1612012188 AOIQOMUTJRJXNL-QGZVFWFLSA-N 446.555 4.619 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2nccs2)s1 1612347922 HHYBIJDMARGVQR-HNNXBMFYSA-N 449.609 4.521 30 10 IJEE C#CCN(C(=O)CC[C@H](O)CCCCCC)[C@@H]1CCOc2ccc(Br)cc21 1617600533 LKTWHHALJMFQLW-UYAOXDASSA-N 436.390 4.846 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3cc(C)c(Br)cc32)cc1 1621877239 NSLNGYRFOLIMKU-OAHLLOKOSA-N 436.371 4.852 30 10 IJEE COc1ccc(OC2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)CC2)cc1 1622983389 DQGXDPIGBXVYKW-UHFFFAOYSA-N 444.491 4.829 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)CC1 1623185688 JMBHHXZRPLUSEF-UAPYVXQJSA-N 448.498 4.811 30 10 IJEE C#Cc1cccc(NC(=O)c2sccc2NC(=O)Cc2ccc(Br)cc2)c1 1623891953 PLWJUQDUVQJTHU-UHFFFAOYSA-N 439.334 4.925 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 1624754374 YMJQTDQOSNIDEL-KRWDZBQOSA-N 435.883 4.987 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 1624793973 SHBLRWGMFJMKLZ-UHFFFAOYSA-N 442.494 4.606 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 1626422389 FDQOBIIOPWJDLN-HXUWFJFHSA-N 449.507 4.604 30 10 IJEE CC(C)(C)[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1ccccc1 1628497622 DICHZHVUNONBGS-XMMPIXPASA-N 442.567 4.567 30 10 IJEE C=CCOc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCC2)cc1OC 1630873247 CHSMNIHGNSVLNI-UHFFFAOYSA-N 430.342 4.874 30 10 IJEE C#CCCCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1631645610 OLRASAUTLJPBQL-DFBJGRDBSA-N 432.564 4.860 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)C1 1632364405 OEIBIOKKIIHHKB-VGSWGCGISA-N 447.000 4.831 30 10 IJEE C=C[C@@H](CC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C)c1ccccc1 1635199088 RXOWOHVQRYGLSO-KKSFZXQISA-N 426.479 4.795 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc(N)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1639217251 RTPAWOOBWZMFAL-UHFFFAOYSA-N 441.969 4.796 30 10 IJEE C=CCCC1(CNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)CCCC1 1640400967 NXLQOTMLANXTKV-UHFFFAOYSA-N 446.547 4.753 30 10 IJEE C=CCn1c(SCc2nc(CCCC)no2)nc2sc3c(c2c1=O)CCCCC3 1643346800 KHZQARHFNZJTKI-UHFFFAOYSA-N 430.599 4.931 30 10 IJEE C=CCn1c(SCC2CCN(C(=O)OCc3ccccc3)CC2)nnc1-c1ccco1 1643599953 OPHRLTMMXFEDNU-UHFFFAOYSA-N 438.553 4.865 30 10 IJEE C=CC1(CC(=O)NCc2cc3cc(Br)ccc3o2)CN(C(=O)OC(C)(C)C)C1 1644676229 SOZYWKMLQPDWMG-UHFFFAOYSA-N 449.345 4.625 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3ccc(Cl)cc3Br)CC2)OC1(C)C 1651184883 KQHZZWPGNNFMNO-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N[C@@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CCCC3 1656066883 JAKJWYAHTGQCTD-KBXCAEBGSA-N 433.643 4.554 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 1658658903 FHOAOQJVRMWJLQ-UHFFFAOYSA-N 435.524 4.750 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1659600554 KMFCRNOLGFCJHM-MRXNPFEDSA-N 436.314 4.935 30 10 IJEE O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1O 1668051831 GOHHWNYAALVOSA-GFCCVEGCSA-N 431.329 4.522 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 1668938657 ANWPPSLNVGKWQF-UHFFFAOYSA-N 437.849 4.725 30 10 IJEE N#CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)C1 1669140940 AQVHMGMCTGCJQK-LBPRGKRZSA-N 430.306 4.534 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NCc1cccc(Br)c1Cl)C(C)C 1674145651 NOBAGSYLEFYOCF-QGZVFWFLSA-N 428.802 4.600 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1680405132 VSCRFJHVKGYXMZ-CRAIPNDOSA-N 425.932 4.536 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(c2ccccc2Br)CCCCC1 1682155594 BBQHFGBGGNOUGU-FXAWDEMLSA-N 435.406 4.931 30 10 IJEE C#C[C@H](NC(=O)N(CC)[C@@H](C)Cc1ccc(OC)cc1)c1ccc(Br)cc1 1682356997 QHMIHAIFHPZERO-KKSFZXQISA-N 429.358 4.795 30 10 IJEE C#CCN(C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682596624 OAOQFUBQUYCYAA-IYARVYRRSA-N 445.991 4.630 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2cccc3cnccc23)C[C@@H]1C)c1ccc(Cl)cc1F 1686922162 BTHVMSFHZMVOKF-KSFYIVLOSA-N 436.918 4.622 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1689949807 SELSLLCHWUZDAR-CABCVRRESA-N 428.405 4.910 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1690058901 DMEYCVQYICCTMO-KNQAVFIVSA-N 440.563 4.899 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CCOC)CCCCC1 1690062496 QXFCLDBBHWTVQU-UHFFFAOYSA-N 446.599 4.782 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)[C@@H](C)CC 1690196319 GVVAJPSZIPNETF-UQBPGWFLSA-N 439.673 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](COCC)C1 1690240984 NBMDZBQAXHFMGL-LZJOCLMNSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1csc2ccccc12 1690257427 IYRHNIAKJDPDNO-QHCPKHFHSA-N 426.586 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 1690433662 YXGUNXKYBCQKEG-PMACEKPBSA-N 437.636 4.537 30 10 IJEE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](COC)C1 1690454222 YYTOXZUDMXUBEP-HSZRJFAPSA-N 449.599 4.561 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1690736909 SBWNCNGGHBGEAR-STQMWFEESA-N 439.448 4.781 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690751278 YFIHNTVPHNVNTK-HDICACEKSA-N 436.572 4.812 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)N(C)C1CC1 1705480717 XTYNQIPJBWUOEG-GJZGRUSLSA-N 428.005 4.754 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1C[C@H](C)O[C@@H](C)C1 1705484458 PDAJQGSWNMFAEJ-KKUMJFAQSA-N 449.368 4.508 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](CCOC)C1 1705510995 FFNZLILXEAJUEJ-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@](C)(CC)C1 1705513504 OJRHPXCGENXRFS-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CCCCC1 1705623208 JQEFUVRXEYXCLX-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](OC)C(C)(C)C 1705668686 RHEPLIJVMNUFMD-WPSZSDGUSA-N 428.552 4.610 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H]2CCCCO2)CC1 1705777060 WGAGSHAOYKWING-GHTZIAJQSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCCOC2CCCC2)CC1 1705784955 PXYLXAMPJMFWSC-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1705825200 MPUONTGTTJNRRD-FQEVSTJZSA-N 439.604 4.612 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705943143 OZQXZENEVZWDJR-KRWDZBQOSA-N 428.631 4.650 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc3c(n2)CCCC3)c1 1707119147 FFBJFCIAJNMZJF-HXUWFJFHSA-N 444.583 4.534 30 10 IJEE COc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1C[C@H]1CCO[C@H](C)C1 1711947415 DKLRFFYBJHTFIN-UXHICEINSA-N 425.577 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H](C)c1ccccc1 1722275641 CTMUAKQCHHSTSK-HZPDHXFCSA-N 426.362 4.687 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1csc(C)n1 1722319703 QFDXNJGOCZOOSO-LJQANCHMSA-N 426.615 4.544 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722322036 IPBQUYHFBMKMKA-PMACEKPBSA-N 440.613 4.530 30 10 IJEE C#CCCCn1c(Cc2ccccn2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1722334491 GRTWZQUJQUKDFQ-UHFFFAOYSA-N 431.565 4.847 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1722380272 XARIZVYSJFGBCF-XUZZJYLKSA-N 432.612 4.911 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCC1(C)C 1722431613 NBNPWZRUWADUJG-IBGZPJMESA-N 446.599 4.522 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1722455667 VWKHPPLANOVBMB-HNNXBMFYSA-N 441.963 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCCCCC1=O 1722513579 ARWHYNGKAAYSFS-UHFFFAOYSA-N 444.023 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722515134 OQAZYMPALHXNJD-HXUWFJFHSA-N 431.625 4.813 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CC1CC1 1722528543 JTKUMDZFZKTPJT-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=C(Cn1c(N2CC=C(C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1722542167 YWECOVAXYULVOF-SANMLTNESA-N 436.600 4.826 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1722604114 ULNSUMZFSTVMLK-LADGPHEKSA-N 437.632 4.977 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722625730 WNRCLWFVKBFAOC-LJQANCHMSA-N 436.959 4.582 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@]1(O)CCCC1(C)C 1722633414 SZGHLPIMACIHPY-SANMLTNESA-N 433.600 4.916 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1cccc(OC)c1)C1CC1 1722645682 WCUFPQQIFKNQQW-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OCC 1722657585 GUWAZHZCBDTQSM-UHFFFAOYSA-N 429.524 4.881 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cscc1C 1722677878 GWTKCPFHSYHOSK-UHFFFAOYSA-N 432.977 4.664 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C 1722692672 UCHCIHJVZJJWOP-OAQYLSRUSA-N 444.023 4.809 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2cccs2)cc1 1722705728 HZSUFQBSLUXJFU-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1740559490 PGYFXIMHKYPERH-BZSNNMDCSA-N 433.021 4.887 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1740585050 USDQXFVQVNDODG-QUCCMNQESA-N 442.007 4.533 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](c1ccc(C)cc1)N(C)C 1740603386 QTPFEBNRPNQSRJ-JOCHJYFZSA-N 447.652 4.956 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCC1(C)C 1740650747 LURJLEVEURSOHB-OAQYLSRUSA-N 434.584 4.642 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccsc1)N(CC)CC 1740726526 CTFHGCHILYMJCB-GBXCKJPGSA-N 437.613 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(OC)cc1C(F)(F)F 1740771226 XHFHMRNAMRQUQH-UHFFFAOYSA-N 431.462 4.818 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2cccc(F)c2[C@@H]1C 1740778352 YEAJDHPNTSPHJC-AWEZNQCLSA-N 444.352 4.885 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1740782331 NKECTJNOIQBFOS-LPHOPBHVSA-N 437.371 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(F)cn2)CC1 1740849714 URMPUGZNEIYYIL-UHFFFAOYSA-N 448.590 4.640 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1740860288 YRUIUJBWAFBICD-HXUWFJFHSA-N 448.615 4.550 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1 1740867160 ZRIDUSSTGRYOGO-KRWDZBQOSA-N 439.551 4.942 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@H]1C 1740891678 GUGJSRFVDWWVCC-MOPGFXCFSA-N 432.012 4.958 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C)C(C)C 1740926729 JXZORUPMIXAIQH-KMDXXIMOSA-N 444.627 4.608 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1746415756 GWTOQFJJBLAAMF-QWFCFKBJSA-N 440.661 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C(C)C)N1CCCC1 1748654485 IRXDZKWSNQAAQD-OXJNMPFZSA-N 434.415 4.830 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1748716306 XTOHQMIEVBPPEB-BGYRXZFFSA-N 443.636 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1748868416 WHNFAKHJTMQRMJ-CKOJHNACSA-N 445.655 4.793 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nc(C)c(C)s1 1748872742 FCWRWSWWPNUJDR-UHFFFAOYSA-N 449.649 4.860 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)c1ccco1 1749146281 AYNPVJZNUSUELI-NRFANRHFSA-N 445.361 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCC1(O)CCC1 1749148794 GOTQTDZVWMWCOQ-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)c1cccs1 1749149025 OHJKMMDFLYZBMP-QFIPXVFZSA-N 447.004 4.979 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1749293391 LKUJIMCOTXCDMH-UHFFFAOYSA-N 437.632 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1749358787 QKOVPGXQUCSXLC-AVRDEDQJSA-N 432.572 4.934 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749415557 ULDHGWQNNCEINW-GOSISDBHSA-N 442.514 4.630 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccnc(C(F)(F)F)c1 1749467306 NQALSVOAVFKKBS-UHFFFAOYSA-N 438.457 4.886 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCC[C@H]1C)C1CC1 1749527633 LLWYMCCMGVBVOR-QGZVFWFLSA-N 432.037 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCN1CCC[C@@H]1C 1749554571 VUVMGMBJSQMEPQ-IBGZPJMESA-N 439.604 4.746 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749621994 KPFYIUNZYIXWSB-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCCCCC2)nc1 1750069305 GQYDLZAMFWGAKH-LJQANCHMSA-N 447.562 4.504 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](c1cccnc1)C(C)C 1760123368 DSKDUKZIQBFWKA-GCJKJVERSA-N 437.975 4.803 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CC(F)(F)C1 1760124031 NRIJVDSPPQQVGC-GFCCVEGCSA-N 429.298 4.667 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCOC2(CCCC2)C1 1760134137 AXWFQJJSYNDOQO-UHFFFAOYSA-N 443.389 4.661 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760159572 KRJLQTLIGHNCQJ-HZPDHXFCSA-N 438.519 4.627 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1760236244 OKPHAPUSBMMNBO-RDJZCZTQSA-N 440.460 4.975 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1760315180 AZBROMJMLLCWQS-WWMYMODYSA-N 444.576 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1760322195 PGLZLURLSBBIRH-CTNGQTDRSA-N 429.634 4.607 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(N(CC)CC)CC1 1760379721 DZCUZCJJZGQGSM-UHFFFAOYSA-N 438.403 4.574 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1760408275 HPBLNJKRIYYUPB-XMMPIXPASA-N 441.551 4.785 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 1760417854 JKHGPBXDEVDADE-QHCPKHFHSA-N 435.616 4.600 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760497827 TVODENKXFMOWPS-HXUWFJFHSA-N 435.538 4.521 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760568053 WPMGTMGLNSADLS-MAUKXSAKSA-N 443.469 4.870 30 10 IJEE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772748927 HIVHXWXDAVYRQY-UHFFFAOYSA-N 446.526 4.842 30 10 IJEE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772750181 KTZQKIDVLUMTJM-UHFFFAOYSA-N 432.549 4.892 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)c2cccc(OC)c2)c(=O)cc1C(=O)O 1857890757 BZDPUBSNRRGKAP-UHFFFAOYSA-N 443.540 4.958 30 10 IJEE CCCCc1ccc(NC(=O)COc2cccnc2NC(=O)c2cccc(C#N)c2)cc1 1858707775 OFDILBLNKXNJHS-UHFFFAOYSA-N 428.492 4.566 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 1862097728 USNDWQORAHFTGT-SFHVURJKSA-N 430.552 4.672 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc(OCCCC)c(OCC)c1 1862253078 RXKANPSXYRRFEX-NRFANRHFSA-N 430.589 4.753 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2C(=O)O)cc1 1862477845 SVAVTCASUGMKTL-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1862485361 BETXFUNLRAPTNL-QHCPKHFHSA-N 441.483 4.812 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862622991 JISJUFIPKNRBRQ-LJQANCHMSA-N 448.346 4.862 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862667527 DKSWAWWZOIRORY-LJQANCHMSA-N 434.319 4.687 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1 1863452611 QIQLHKDZZCMPNG-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868266719 AHHVFPRENBOAIO-OAQYLSRUSA-N 449.942 4.512 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)nc(C(C)C)n1 1869088356 ZKRFLBLLHREQSI-UHFFFAOYSA-N 444.627 4.624 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CSc1ccccc1 1870271919 BEJYZZNBSAFKON-UHFFFAOYSA-N 435.545 4.873 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccc2C(C)C)cn1CCC 1870726799 SFGBZDITMFVTHG-UHFFFAOYSA-N 437.584 4.573 30 10 IJEE Cc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1cccnc1 1871251211 SXZDBYSQAKZCNB-UHFFFAOYSA-N 436.515 4.663 30 10 IJEE COc1ccc(CCN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1OC 1871345608 UWXVNTPPPMXQMJ-QRVIBDJDSA-N 447.487 4.616 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871375382 INNDGYHNLOJAIR-OYKKKHCWSA-N 430.456 4.858 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCc3nc(O)c4ccccc4n3)ccc2C1=O 1871431473 ZLQQBVLQXDZKLK-UUYOSTAYSA-N 426.428 4.539 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 1871450913 VDWMPVZXKLNIQU-YOBACFSGSA-N 444.443 4.925 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2Cl)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871603928 PUJSAYJOUILJBA-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCCC 1871841861 PFIHDIRMYWIOAE-LJQANCHMSA-N 430.570 4.814 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871978070 JUOAPLROIRYVCF-GOSISDBHSA-N 445.343 4.727 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872310674 AQTHYXSGQKNSQE-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE CCCCCCCCCCN1C[C@H](C(=O)N2CCC(C(=O)NCCCCC)CC2)CC1=O 1872927740 DGZILXIGILWIRW-HSZRJFAPSA-N 449.680 4.521 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2n1CC 1873547081 ISMIOPRPPVBHGL-UHFFFAOYSA-N 443.595 4.725 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccccc1F 1874241757 XGWIRNNVEIHSSB-ZMOGYAJESA-N 426.517 4.945 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874258838 GKFSIVSOCKNZFZ-BUVRLJJBSA-N 440.569 4.908 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874412811 XFMQQEJWJLBIDP-WSDLNYQXSA-N 444.582 4.507 30 10 IJEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)ccc1O 1874416632 ZTFTWMDRKLCYAE-CVKSISIWSA-N 448.523 4.897 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccccn2)cc1C 1874425835 CVUFCBOGHCWHJG-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)ccc1O 1874460930 NDMZEQJGQHGAJY-BHGWPJFGSA-N 436.459 4.884 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2F)cc1 1874512024 HVMVJLZDTXYRDP-BHGWPJFGSA-N 429.496 4.601 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OCC(=O)Nc1ccc(C)cc1 1874593014 NKPNQWKKAORJCK-XYOKQWHBSA-N 446.459 4.825 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)c1 1875104107 GRWAOPOZLDZWOZ-RIYZIHGNSA-N 431.488 4.885 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)c1cnccn1 1875140667 QYDDLXITDSAKNN-BQYQJAHWSA-N 447.447 4.516 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3noc4ccc(Cl)cc34)ccc21 1890034738 GYDXLKDOFRYUFY-UHFFFAOYSA-N 439.899 4.600 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCC1)C2 2016175747 MSALNOCYDMVZNY-ORQYLMBXSA-N 437.556 4.938 30 10 IJEE C#CC[C@H](C[C@@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2020078785 OJGNJBUFZRELLZ-WXFUMESZSA-N 428.617 4.904 30 10 IJEE C#CC[C@@H](C[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C1CC1 2020095671 ZVZXDPCEAQMKLN-ZNEWLNCYSA-N 428.617 4.903 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2057574605 XNVZTSURPKFCPN-GXYVPTEVSA-N 443.544 4.728 30 10 IJEE CCCC[C@@H](CC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2060632825 GNEHHBPCFICJCT-MSOLQXFVSA-N 438.418 4.545 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCCCC1 2060822881 AEXOEDLPRFOCTK-PZJWPPBQSA-N 443.588 4.608 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NCC 2063096016 YNTVESZZKARNEN-ZIAGYGMSSA-N 435.765 4.842 30 10 IJEE Fc1ccc(Cn2ncc(I)c2C(F)(F)F)cc1C(F)(F)F 2079126111 YJQBMCREKFVDSX-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn(Cc2cc(C(F)(F)F)ccc2F)c1Br 2080228421 MLVRGOSCOXBERV-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE COC(=O)c1cnc2c(-c3c(F)c(F)c(F)c(F)c3F)c(C(F)(F)F)nn2c1Cl 2081474112 GDBBNZHJJVYXTP-UHFFFAOYSA-N 445.653 4.551 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CC(CNc2cc(Br)cc(F)c2C#N)C1 2111958223 TXLDBVZUXADTIG-UHFFFAOYSA-N 430.293 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNc1cc(Br)c(C#N)cc1F 2139868398 SAOYPPGSDLSPED-INIZCTEOSA-N 426.330 4.907 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 2159124625 IXFJHBKOHRHIHI-QZTJIDSGSA-N 441.385 4.806 30 10 IJEE C#CCN(CC(F)(F)F)C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br 2180071218 PHFZFVHBOVBPQV-UHFFFAOYSA-N 449.267 4.742 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181053871 QCMAXVORVGNJKJ-HUUCEWRRSA-N 436.350 4.590 30 10 IJEE CN[C@@H](C#Cc1ccc(Cl)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2216975116 VCYSJVHAYDKFTC-OFAXGOBFSA-N 442.987 4.778 30 10 IJEE Cc1cnc(OCCCCC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232302103 PCLRRYSBHIFTRX-SFHVURJKSA-N 448.413 4.542 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@](C)(NC(=O)OC(C)(C)C)C1CCC1 2235724474 IIZDGORVHSGMFN-AVRDEDQJSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC(F)F)ccc2Cl)OC1(C)C 2247898372 CVYZCUQFVPPKPK-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE C=CC[C@]1(COc2nc(Cl)ncc2Br)CCCN1C(=O)OC(C)(C)C 2259512466 QEKTXFUDBRSFAG-QGZVFWFLSA-N 432.746 4.617 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cc(Cl)ccc3Br)c2F)OC1(C)C 2266052341 QULYQOZTZNCSKK-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2281055900 LVJWVUZKBQEOPP-UHFFFAOYSA-N 445.304 4.869 30 10 IJEE C=CC[C@]1(COc2c(Br)ccc(OC)c2N)CCN(C(=O)OC(C)(C)C)C1 2287761147 TWFXYJSTCIZIOI-FQEVSTJZSA-N 441.366 4.622 30 10 IJEE CCOC(=O)c1ccc(N=C2SC(=Cc3ccc(O)c(OCC)c3)C(=O)N2CC)cc1 2293760696 NWKVQUNSCOJKJS-UHFFFAOYSA-N 440.521 4.592 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCN[C@H](C(F)(F)F)C1 2294736270 OGUXCOMBYJSYAZ-WMLDXEAASA-N 448.283 4.767 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@@H](N)C#Cc3cccc(Br)c3)cc2C1 2296215438 AELKVZBFLHDVDT-KRWDZBQOSA-N 447.398 4.855 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@@H]21 2296215822 DURBUUFYTBMTLM-LZNRXBQRSA-N 434.374 4.731 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C1(CNC(=O)OC(C)(C)C)CCC1 2296219284 MOAFBUDOICFSBE-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 2296283585 IITOYHWMLGHPGH-ILZDJORESA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2296295165 AGAXNJYKZNKJQQ-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2296305437 UBCDNXTUQVLGIM-UYAOXDASSA-N 433.390 4.592 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2296311434 WZYSQKWSRYDEMS-JXFKEZNVSA-N 445.348 4.717 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1 2314478571 UPWYSEAQAHGCPV-HSZRJFAPSA-N 430.891 4.913 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(C)nnc1SCC(=O)Nc1cccc(C)c1 2321101630 JIOHZHJCXBEXFK-UHFFFAOYSA-N 445.548 4.670 30 10 IJEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(CCCCCO)CO1 2322095537 DNIYOLOTIWRUGM-UHFFFAOYSA-N 434.319 4.924 30 10 IJEE O=c1c(Cl)c(NN=Cc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)c(Cl)c1 2322617445 KDYJKBJECGLSAY-UHFFFAOYSA-N 438.658 4.547 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2ccccc2)c(OC)c1OC 2323032424 MNZFWGIYKREIOY-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE CCCCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccc(OC)c(OC)c1OC)C2=O 2323744312 QTJPMJGPDSKGJK-UHFFFAOYSA-N 426.465 4.733 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OCC(=O)OCCOc3ccccc3)ccc2C1=O 2325744713 PMWYUFHMIWDUCX-UHFFFAOYSA-N 430.456 4.612 30 10 IJEE CCOc1cccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCCO)c1 2326620943 HZYHXTQQSRCWAM-UHFFFAOYSA-N 446.576 4.582 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2cccnc2)cc1 2328568052 IBZVTWNUDKIICR-UHFFFAOYSA-N 443.576 4.880 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCc2ccc(OC)cc2)nnc1SCC=C 2328580075 ZIEBGUQOUJWEOK-UHFFFAOYSA-N 434.565 4.797 30 10 IJEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329207859 CCTWKVFUZFNUKE-UHFFFAOYSA-N 445.932 4.846 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(F)cc1 2331333111 ZTRUQXKUEMTBNH-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE Cc1ccsc1C=Nn1c(SCc2nc(O)c3ccccc3n2)nnc1C1CCC1 2331535348 OIRONLRWKGNUAP-UHFFFAOYSA-N 436.566 4.739 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2F)cc1C 2331673815 KTOLREJBZUMRMS-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CC#CCN(C[C@@H](Cc1cc(Cl)cc(Br)c1)NCC)C(=O)OC(C)(C)C 2337911466 FNIXYQMVYIIOSA-GOSISDBHSA-N 443.813 4.884 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2360194530 OOFKXKFHIWWGFS-ZJBJCVSYSA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@H](N)C#Cc3cccc(Br)c3)CCC[C@H]21 2360196026 IKYLAZYELWNESY-IYWMVGAKSA-N 433.390 4.554 30 10 IJEE Cc1c(Cl)cccc1N/N=C1/C(=O)N(c2ccccc2)N=C1c1ccc([N+](=O)[O-])cc1 8935236 YWSMESITVKUUSL-NJNXFGOHSA-N 433.855 4.776 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(C(=O)O)ccc2Cl)cc1OC 20879406 FNFMFLJQXPKPPS-UHFFFAOYSA-N 426.694 4.986 30 10 IJEE C=CCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs/c1=N\c1ccccc1 27019990 WJFKXXRJKLQRAC-FCQUAONHSA-N 427.595 4.666 30 10 IJEE CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@@H]1c1ccc(C#N)cc1 32997237 MGVIZAONVUEYOH-JOCHJYFZSA-N 431.521 4.747 30 10 IJEE C#CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 33088226 WFTMHNRREFUOFH-GOSISDBHSA-N 428.517 4.585 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 34954432 HFLDZSSESABCFS-DXNYSGJVSA-N 433.416 4.727 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 35515184 XVNKRGJPCARKCA-HSZRJFAPSA-N 442.446 4.950 30 10 IJEE Cc1oc(NC(=O)[C@H](C)Oc2c(-c3ccccc3)oc3ccccc3c2=O)c(C#N)c1C 40167908 JNCYTGIEALTOBD-INIZCTEOSA-N 428.444 4.948 30 10 IJEE CCCCCCCN(C)C(=O)COCC(CC)COCC(=O)N(C)CCCCCCC 60290975 UTDPDHGFIBTVPK-UHFFFAOYSA-N 442.685 4.903 30 10 IJEE N#Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3sc(N4CCCCC4)nn23)cc1 65320947 MTJVLROZGWERFM-UHFFFAOYSA-N 428.521 4.572 30 10 IJEE C=CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)S/C1=N/c1nc(-c2ccccc2)cs1 101130573 GAEHAIFKPZWAOL-OMVKCKKSSA-N 444.541 4.922 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2C(F)(F)F)ccc1OCc1cccc(Cl)c1 169914660 ZACMFIVJMOZJIK-AQHIEDMUSA-N 442.850 4.709 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(C)c2)cc1 169923020 ASUZCBJPXVDZNW-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2cccs2)c1 169928373 ICICALGFGGNXLY-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2OC)c1 169939502 MTLNAHXJTIQAAQ-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1Cc1cccs1 169939635 QUGCPZFTAQPHPC-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CCOc1cc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc(Br)c1OCC 169943323 HAHLNJIUCSKLOP-OCKHKDLRSA-N 426.336 4.660 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1ccc(O)cc1 169962146 CVDDIAQENJPSHW-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1 169991084 LWGRBTHCDFVTSK-OAQYLSRUSA-N 433.895 4.584 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccn2)cc1Cl 169996539 OPUOLUNBGBNTCQ-NRFANRHFSA-N 448.862 4.555 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccccn2)cc1 169996937 WXGQWWUIMZUIMS-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccco2)cc1OC 170091876 YWXLTQAOVHYMGI-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)cc1 170116949 CUDRXQOLDGDTSH-QFIPXVFZSA-N 435.520 4.842 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)c1 170148207 MDWQMFNOJGMJIR-JOCHJYFZSA-N 425.500 4.836 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3cccnc3)oc12 170184269 UCTASLRHHCTDOR-NRFANRHFSA-N 444.418 4.758 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)c1 170227080 DIPISDGIIYNFKE-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccco1 170286791 JOERHAWRECDULE-IBGZPJMESA-N 427.815 4.864 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)ccc1OCC(C)C 170292137 AWMATGXBCGCMFV-JOCHJYFZSA-N 435.476 4.994 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254392089 ABOJWJIHEJZLGC-UHFFFAOYSA-N 444.512 4.680 30 10 IJEE CN(C)C=Nc1nnc(SCc2ccc(C(=O)Oc3c(F)cccc3F)cc2)s1 254396241 KQNQTAHMIXTORG-UHFFFAOYSA-N 434.493 4.549 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](Cc1c(F)cccc1F)C(C)=O 436205442 CZHKOZFMYKIILQ-NRFANRHFSA-N 443.519 4.922 30 10 IJEE C=CCN(C(=O)c1ccnc(N2CC[C@@H](C)C2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 437300126 ZDPNFJKAXYEUKF-MRXNPFEDSA-N 449.536 4.792 30 10 IJEE CCCc1c(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cnn1-c1cccc(C#N)c1 439677607 IJKBILDJFUHROS-UUOWRZLLSA-N 429.524 4.690 30 10 IJEE N#Cc1ccc(CN(Cc2nccn2Cc2ccccc2)c2ccc3nc(O)[nH]c3c2)cc1 440723303 HKPVDOBPYJRVSO-UHFFFAOYSA-N 434.503 4.592 30 10 IJEE C=CCN(C(=O)c1cc(C2CC2)nc2onc(C(C)C)c12)c1nc(C(=O)OCC)cs1 463572896 FVIQPWKCYHPTRV-UHFFFAOYSA-N 440.525 4.690 30 10 IJEE C=CCOc1ccc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1OC 513755374 RYYSNCUPZLIJKN-QHCPKHFHSA-N 426.944 4.861 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)c1OC 526520234 HAVZCAVJNSGLDY-JOCHJYFZSA-N 430.435 4.772 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(F)cc2)c1 526606016 BNXAGNVLJKWEFC-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccccc1OC 526830635 QZIGJZDVUGALAR-UCQKPKSFSA-N 442.541 4.574 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 589322155 OMTDRIXGSHYMQB-GPXOXTDOSA-N 432.564 4.683 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@]3(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698493982 RZLHRZYDLMQCPF-RHRGGMMZSA-N 439.556 4.966 30 10 IJEE COc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)c(C)nn1C 698499048 XTSKKTQWHHCCEJ-OAHLLOKOSA-N 435.322 4.506 30 10 IJEE C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)CC1 730069980 KMODYUPUDGUYKQ-UHFFFAOYSA-N 446.378 4.756 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=S 730932099 BCXBHTHEJNTZDY-UHFFFAOYSA-N 441.988 4.568 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)cc1C 733197688 QXCWJZHFTYMZFW-HXUWFJFHSA-N 441.503 4.565 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc(C)c(C)c1 742212429 OTEDZYBAQKFTPV-JOCHJYFZSA-N 449.576 4.686 30 10 IJEE C/C(=C/C(=O)OCC(=O)Nc1ccccc1SCC#N)c1ccccc1C(F)(F)F 745272706 NKCGWVCZNBPXAJ-OWBHPGMISA-N 434.439 4.906 30 10 IJEE C#CC[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1)c1ccccc1 757014883 BPVBGNJMONNPKZ-AREMUKBSSA-N 435.531 4.557 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 789116533 IWBMRFQNXZHRJX-IZZNHLLZSA-N 426.564 4.909 30 10 IJEE C=CCCCNC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl 790571235 JYVGCWLIXFREAD-UHFFFAOYSA-N 441.380 4.905 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cc(Br)ccc1Cl 1125786784 XABOXFIPKRHNEQ-ZDUSSCGKSA-N 430.730 4.628 30 10 IJEE C#CCN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@H]1CCOc2ccc(Br)cc21 1126228434 IHHGFPRNJMOSDG-QFIPXVFZSA-N 449.348 4.768 30 10 IJEE C=CCN(C(=O)CCc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)OCC 1128110983 HMYWOBXHGJYLPX-OAQYLSRUSA-N 444.369 4.571 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)Nc3ccc(Br)c(C4CC4)n3)CC2)c(F)c1 1129350584 BUMAIOYVMFRCCZ-UHFFFAOYSA-N 443.320 4.587 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)s1 1130716968 CGILYPHRLGSJOE-AWEZNQCLSA-N 442.956 4.845 30 10 IJEE C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 1131842011 FHOYNBRJFALZCI-OAQYLSRUSA-N 425.532 4.656 30 10 IJEE C=C(C)C[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)OCC 1132934434 JHNRRIYYFVVTLT-HNNXBMFYSA-N 427.353 4.674 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc21 1134572801 ULTYKONKNIFKAE-UHFFFAOYSA-N 433.943 4.993 30 10 IJEE C=CCN(C(=O)CCc1ccc2ccccc2c1O)[C@H](Cc1ccccc1)C(=O)OCC 1138238621 BNIYRFANYHASQL-XMMPIXPASA-N 431.532 4.667 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)c1ccccc1 1140598458 SLBQWWHMPWNMSW-WNCULLNHSA-N 445.563 4.668 30 10 IJEE C#CCN(C(=O)c1sc(C2CCCC2)nc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1155367481 PXLWSDIUVADYOA-UHFFFAOYSA-N 431.602 4.584 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C 1164480848 SMGZLRYCGKOYPB-QXUYBEEESA-N 443.632 4.746 30 10 IJEE CC(C)c1cccc(N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 1190509300 BOGNWEGZPXQCPS-NRFANRHFSA-N 434.584 4.616 30 10 IJEE C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)Oc1ccc(Br)cc1 1201170546 GGNJRIOXDJNARU-LLVKDONJSA-N 442.235 4.929 30 10 IJEE CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2cccc(Cl)c2O1 1211491011 ASKUJVPXRLXQFR-ZDUSSCGKSA-N 430.835 4.597 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1)c1ccc(Br)cc1 1211981671 KTDZAPSJVMQXJH-KRWDZBQOSA-N 449.757 4.612 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(Cc3csc([C@@H](C)OCC)n3)CC2)CCCC1 1230918384 JVVOCJHYYXCLDF-LJQANCHMSA-N 434.650 4.594 30 10 IJEE CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCN(c2ccccc2C#N)CC1 1233824629 CWNUUSIGTHMFDR-UHFFFAOYSA-N 428.536 4.530 30 10 IJEE C=C(C)[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc(F)c(F)c1 1234567838 ZORLSVPSQQJKRM-WRWLIDTKSA-N 437.531 4.774 30 10 IJEE CCOC(=O)c1cc(COC)cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 1273898120 AJYOBWPQZBABPA-UHFFFAOYSA-N 444.487 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@@H]1C(C)C 1286277501 ZFKASEJKZYNRPD-IOMROCGXSA-N 449.624 4.896 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1286318198 YNUGQSLSGISGML-OAQYLSRUSA-N 431.588 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccoc1 1286548502 BJTSEOJBTKCCHJ-LAUBAEHRSA-N 442.947 4.818 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1286553005 CBPGDQNUYLPMRA-LAUBAEHRSA-N 434.506 4.971 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc(Cl)cn2)CC1 1286656284 RZSITQQTKUSZOE-UHFFFAOYSA-N 435.334 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCCC2)C1 1286666243 CANLNXIWXJKBBV-UHFFFAOYSA-N 442.629 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286674338 OZDSUVYCYFFIGP-UHFFFAOYSA-N 449.643 4.504 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2F)n1CCCNc1ccc(C(F)(F)F)cn1 1286720066 GNMZGTDUMUYIFI-UHFFFAOYSA-N 434.441 4.622 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1nc(C)c(C)s1 1286740445 MUQHYMLORSGJPV-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCN(C)C1CCCC1 1286753333 AZHUJALRFIBRDA-UHFFFAOYSA-N 444.421 4.760 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cccs1 1295636295 IDIWKDOTRDDZNJ-HSZRJFAPSA-N 449.605 4.874 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(OCc2ccccc2Br)c1)C(=O)OCC 1298021960 XBSUOOAMPPIYSA-FQEVSTJZSA-N 446.341 4.656 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](OC)C(F)(F)F 1300281407 CMKHBLMVYJCKBN-KBXCAEBGSA-N 440.535 4.701 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC=C(C)CC1 1300347503 ALSDUVQEMTWWBR-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCSCC(C)C 1300563407 IKSLCBBVJJBIDF-UHFFFAOYSA-N 445.430 4.560 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CCC1 1300868009 ATFZETZIUCAIRX-CXAGYDPISA-N 437.407 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1COc2ccccc21 1300900745 HLTUXQHQQNXDOZ-HNNXBMFYSA-N 442.361 4.614 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](SC)C(C)(C)C)C1CC1 1301315838 CGZWDNGKFUVJAN-FQEVSTJZSA-N 430.618 4.895 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(C)C)nc1 1301357090 IZGVESSDINUSNO-UHFFFAOYSA-N 434.569 4.610 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cc(Br)ccc1OC 1305476658 IEDGVJVRKYWDMA-QVKFZJNVSA-N 446.393 4.741 30 10 IJEE C=C(C)[C@H](NCc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1308377101 UYIDKVYKSQGSIQ-UTKZUKDTSA-N 447.530 4.535 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2ccc(Cl)cc2F)cc1 1309086806 HJVGHYYJEVZCSR-UHFFFAOYSA-N 432.879 4.881 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCOc1ccc(Br)cc1)c1ccc(F)c(F)c1 1311771545 XIBMLDRHCYFRCE-GOSISDBHSA-N 425.273 4.723 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 1353387520 SYCGKTKIVYUGRK-UHFFFAOYSA-N 449.304 4.966 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)c1 1356233612 HAOLSKYGAIUFRB-UHFFFAOYSA-N 444.434 4.664 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)NCC3(c4c(F)cccc4F)CCCC3)CC2)c(F)c1 1357984171 CNCCWHOHNODLFK-UHFFFAOYSA-N 441.497 4.820 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 1358275235 YSKMHMXCMSCNSG-UHFFFAOYSA-N 446.572 4.545 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CC)C[C@H]1CCCO1 1358920866 JLKRYZWDQTZFID-HSZRJFAPSA-N 431.584 4.771 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1CCC(C)CC1 1358989202 SZPYFLATLDHVFH-UHFFFAOYSA-N 438.019 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCc1csc(C(C)(C)C)n1 1359069627 RNLVWWNXCSFRRJ-XMMPIXPASA-N 434.613 4.637 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)C(=O)NC 1359108661 XQGVKCGTXIZRCB-UHFFFAOYSA-N 448.615 4.527 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)Cc1ncc(CC)s1 1359119970 YHGBVSNSLSITKO-UHFFFAOYSA-N 427.574 4.584 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359125434 CXANZGIHSNBKKL-OALUTQOASA-N 447.624 4.710 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(SC)CCOCC2)CC1 1359168399 SEPKZLQBALWKNN-UHFFFAOYSA-N 442.629 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C(F)(F)F)C1 1359185843 LFQBWGGARZLCOQ-INIZCTEOSA-N 428.886 4.968 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359199882 KZOIRASHDOPGKE-UHFFFAOYSA-N 441.967 4.599 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1359204517 RYRPYVGLOMYFAH-PMACEKPBSA-N 431.625 4.669 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1359255133 PDEDMQVQSMVCHF-QFIPXVFZSA-N 448.615 4.760 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1c(C)noc1C 1359261243 BAKJWATYVRSGFC-IIBYNOLFSA-N 439.535 4.870 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2C)c1 1359975231 RUWCVKXBWPGENJ-IERDGZPVSA-N 432.973 4.640 30 10 IJEE C#CCN(C(=O)c1cccc(OCCC)c1)[C@@H]1CCOc2ccc(Br)cc21 1360311664 ZGZXQRQLURBLFQ-HXUWFJFHSA-N 428.326 4.837 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@@H]1CCCCO1 1360787949 HTPDVKKEDHUJBJ-UWHHFBIGSA-N 443.636 4.676 30 10 IJEE CCCc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)CC2=O)cc1 1435630090 ANSJWIUUIJMVMD-IBGZPJMESA-N 430.533 4.626 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 1435657943 GWANDRRVJPGXDW-UHFFFAOYSA-N 449.408 4.896 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)nn(C)c1Sc1ccccc1)c1ccc(Br)cc1 1436652311 YWISRGMYWFRHCE-GOSISDBHSA-N 440.366 4.747 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)s1 1442465451 FYMAFXUKWUKVIN-LJQANCHMSA-N 437.565 4.780 30 10 IJEE C=C(CC(C)C)C(=O)N1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1456149351 YDDNPBBMSLFDKY-UXHICEINSA-N 428.573 4.745 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CCCN1C(=O)OC(C)(C)C 1458170274 BRSSBIRJYJEJDW-UUOWRZLLSA-N 432.536 4.890 30 10 IJEE C#C[C@H](NC(=O)c1cc(NC(=O)OCC)ccc1Cl)c1ccc(Br)cc1 1460783966 HAGYTRCWRHMEDL-KRWDZBQOSA-N 435.705 4.775 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cn2)cc1 1465271081 DYYZWCKNBJJWAO-UHFFFAOYSA-N 441.535 4.840 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1 1465381676 RVIWFDKBTBSBGK-WIOPSUGQSA-N 448.494 4.963 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1ccccc1OCCC 1465710905 SIVOBLWKIJEZKE-NHCUHLMSSA-N 430.589 4.986 30 10 IJEE CC(C)(C)c1nc2ccc(S(=O)(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cc2s1 1475402690 HDSKVPVZRSTVRC-GOSISDBHSA-N 425.579 4.821 30 10 IJEE N#CCOc1ccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 1475876648 AIDMUDNEMZLNFJ-FQEVSTJZSA-N 433.430 4.897 30 10 IJEE CN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@H](CO)c1cccc(Br)c1 1476626504 BXIUYIWXOIVWFY-GOSISDBHSA-N 446.345 4.695 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(C(F)(F)F)cc1 1478272633 NMUAQUQTKYVODH-RTBURBONSA-N 431.458 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C(C)C)cs1 1507517701 RCRIRLGPAMVDDM-HZPDHXFCSA-N 427.549 4.643 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@@H](C)C1 1507749712 ZADMOWCEPOWCFR-ZIAGYGMSSA-N 439.448 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCC(C)C 1507760915 HXDWLOSKPXNPFL-AREMUKBSSA-N 431.584 4.857 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1cc(C)ccc1OC 1507762635 XFZQVJKLSMMMGH-XMMPIXPASA-N 435.959 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(C(N)=O)CCCC1 1507813949 GFFARICAJXSHSF-KRWDZBQOSA-N 441.645 4.580 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2sccc2Br)CC1 1507899543 KYBBHGFMVFCHQJ-UHFFFAOYSA-N 432.391 4.558 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1507911055 AZMPIWJRJJZXGN-UHFFFAOYSA-N 435.572 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCOCC2(CC2)C1 1507911328 JQJVYPAEHMEEBX-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1ccco1)N1CCCCC1 1507981114 MPQFLAUXBDZBOC-NRFANRHFSA-N 441.526 4.590 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1508007446 CBUMQQFDRHCZBL-GOSISDBHSA-N 430.618 4.664 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](C)SC 1508015202 NDXYZUXAQUAAMA-AWEZNQCLSA-N 437.407 4.646 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1CCC(=O)N1CCCCCC1 1508024452 KHJMQVIBSZZEOQ-UHFFFAOYSA-N 435.616 4.573 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1508158643 MRPPHXGZQYVHBL-ZWKOTPCHSA-N 430.618 4.896 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1513636796 CYUOXZYWXQJHBT-MJGOQNOKSA-N 443.979 4.607 30 10 IJEE CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1521544651 HKRAMGKTWBIDJP-IBGZPJMESA-N 436.581 4.726 30 10 IJEE CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(C#N)cc1OC)C1CC1 1522658693 HVRODYLPBBXBAS-HXUWFJFHSA-N 447.318 4.783 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)C1=O 1524314672 SAJULIQNOMYSCF-OAQYLSRUSA-N 446.572 4.853 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](CC(=O)OC)c2ccc3ccccc3c2)cc(OC)c1OC 1524517882 DESPNUCWGLKCNF-QFIPXVFZSA-N 433.504 4.620 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(Br)c3nccnc3c2)C(F)(F)F)cc1 1525856334 MVRWBNMNZRSEGG-QGZVFWFLSA-N 435.199 4.834 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1)c1ccc(C(F)(F)F)cc1 1526560046 FLOXNHAZTHPMLF-QUCCMNQESA-N 439.522 4.907 30 10 IJEE C#CCN(C(=O)CCOc1ccccc1CC)[C@@H]1CCOc2ccc(Br)cc21 1529627589 RCQNYGBKZJAPFK-HXUWFJFHSA-N 442.353 4.766 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 1531607495 ZUZYZQYYORFLBG-UHFFFAOYSA-N 431.517 4.819 30 10 IJEE C=CCCO[C@@H](C)C(=O)Nc1cc(-c2cccc(Br)c2)sc1C(=O)OC 1535173759 JBNKSMKXLHEYFS-LBPRGKRZSA-N 438.343 4.884 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CC1 1536479502 FKKCNOKRGJDIKF-NRFANRHFSA-N 442.556 4.928 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(CC)C1CC1 1538974065 RIXYYKLSKICQRP-HNNXBMFYSA-N 428.005 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc([C@H](C)OC)n1 1538984720 OKSNOCXRFTUEKA-IRXDYDNUSA-N 437.613 4.913 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1539161475 MGKANMUVQJGHNL-GBXCKJPGSA-N 448.567 4.638 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1nc(C)cs1 1539390928 ZFAFTKSYKPRBQG-QGZVFWFLSA-N 448.571 4.631 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCCOCc2ccccc2)nnc1C(C)(C)C 1539642606 RHKJQNWZVNCSKR-FGZHOGPDSA-N 426.605 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CCCS1 1539645027 KOTZCZCKSSDJRN-JOCHJYFZSA-N 448.036 4.550 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1539828038 CXQKDSSCGGUFSF-SBUREZEXSA-N 442.560 4.683 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2CCOCC2)CC1 1539873742 CJLFJTKEFQMZPI-KRWDZBQOSA-N 430.980 4.901 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCN(C)C(C)C)CC1 1539875488 SFSGDWPTHRSWLN-UHFFFAOYSA-N 432.616 4.934 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 1539966446 JPPOLFIHPSVRTH-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1568505484 UMPOJWKNWMZFHS-ZBFHGGJFSA-N 442.478 4.788 30 10 IJEE C#CCCCCCC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1585080235 QRDWJFAGHKENCL-LEWJYISDSA-N 440.584 4.727 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C(C)(C)C)cc1 1585443525 VWNLVTKELJGXTA-UHFFFAOYSA-N 427.566 4.628 30 10 IJEE C#CC[C@@]1(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCCN1C(=O)OC(C)(C)C 1585662671 FECSOVDPFPRLDX-QFIPXVFZSA-N 437.367 4.671 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(CC)CC2CCC2)ccc1Cl 1585878011 DOWYWURMDXKRDK-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C=CCn1c(SCC(=O)OCc2cnc(C)o2)nnc1-c1ccc(Cl)cc1Cl 1586639618 XVZHFMITRIJBJV-UHFFFAOYSA-N 439.324 4.570 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1587793473 NZFXZCWSEGXJMZ-FXAWDEMLSA-N 433.021 4.889 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC(C)(C)OC(C)(C)C1 1587818102 QVVWFPUSMLDDQQ-UHFFFAOYSA-N 449.368 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1(COC)CCCC1 1587937841 VQBUNMPQQOPIAS-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)C1 1587996970 BCRCUMRSILGGEK-QGZVFWFLSA-N 427.342 4.669 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1589557143 GTPBSNUOYXXVNJ-ZJSXRUAMSA-N 426.580 4.862 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Cl)cc1Cl 1589580187 NDSDAHOKDCLEIX-FZKQIMNGSA-N 433.343 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2[nH]c(C)cc2c1 1589688070 ZXWBVSSTWUAVPU-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(Br)cc1 1593600423 HQAMANZJNBNQKA-UHFFFAOYSA-N 432.753 4.969 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1594134683 UPAZUTNTBULPAB-LEWJYISDSA-N 440.588 4.617 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 1594626776 OWCULLALLKZAIO-URXFXBBRSA-N 426.561 4.542 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C)C(C)C)C1CC1 1595033761 OOHPJQVTHYVJQZ-UHFFFAOYSA-N 432.410 4.511 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1595901115 PVWRVNKBAZVDPI-QUCCMNQESA-N 425.602 4.663 30 10 IJEE C#C[C@H](NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)C(C)(C)C 1597002340 JWXVNEBXCKXCLO-NRFANRHFSA-N 438.593 4.584 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(C)C)CC2)CC1 1612822250 FHLSMLZGNMTWMU-OAQYLSRUSA-N 434.632 4.810 30 10 IJEE C=CCC[C@H](NC(=O)CN1CC[C@H](c2ccccc2)NC1=O)c1ccc(C(F)(F)F)cc1 1631195422 SOBJQNMBETWAJJ-LEWJYISDSA-N 445.485 4.986 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 1633586040 XOPYXJCCPNFKHR-RXVVDRJESA-N 431.577 4.743 30 10 IJEE C=C(C)[C@H](NC(=O)NOCc1ccc(F)cc1Br)c1ccc(F)c(F)c1 1634436401 XZCRFECHKBDARJ-KRWDZBQOSA-N 429.236 4.915 30 10 IJEE N#Cc1ccc(N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1Br 1639481721 AMSIVPXJWWIMTL-CQSZACIVSA-N 426.236 4.910 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 1641152409 HEWPGRPFYBQMDL-OAHLLOKOSA-N 435.915 4.800 30 10 IJEE COC(=O)c1cc(COc2c(Br)cc(Br)cc2C#N)cs1 1653112945 DUVVRMNRYDKHED-UHFFFAOYSA-N 431.105 4.510 30 10 IJEE Cc1cc(CC(C)(C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Br 1654621773 GPUWSBHFVPSDGV-OAQYLSRUSA-N 440.385 4.736 30 10 IJEE N#CCC1(CS(=O)(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)CC1 1655087344 ADSWEDCXDWEFAG-UHFFFAOYSA-N 425.337 4.899 30 10 IJEE C=CCn1c(SCc2noc(-c3ccc(F)cc3F)n2)nc2cc(Cl)ccc2c1=O 1655987142 SNMGWXIWSBWYRV-UHFFFAOYSA-N 446.866 4.856 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(Cl)cc1)C(=O)OC 1656010095 DNZXTAOURXIXHY-GOSISDBHSA-N 429.929 4.806 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H](CCOC)NC(=O)OC(C)(C)C 1658816537 ONZKRMNDXNKMPG-KRWDZBQOSA-N 445.373 4.506 30 10 IJEE C#Cc1ccc(S(=O)(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1 1669578640 DWBHLHYYRUYQSI-QHCPKHFHSA-N 425.937 4.558 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCC3)CCO2)c1 1669578914 BRNOZUBHAVGVPP-OAQYLSRUSA-N 443.469 4.782 30 10 IJEE C#CC[C@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)c1ccccc1 1670721576 DKPSNGHWDPHYTH-QFIPXVFZSA-N 427.589 4.868 30 10 IJEE N#Cc1cc(NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)ccc1OC(F)(F)F 1670745302 BSSIWMRKEOTJRZ-CYBMUJFWSA-N 438.837 4.758 30 10 IJEE C[C@H](O)C[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1ccccc1 1671278826 DNTDSMLSFHHLAM-GHTZIAJQSA-N 445.567 4.718 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 1671881749 BLYIALRACNUPEC-IBGZPJMESA-N 425.414 4.962 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 1673779920 WYWFBRWEDSHXGH-HNNXBMFYSA-N 440.853 4.719 30 10 IJEE N#Cc1cccc(CNC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 1673950315 DJMYQZWUBLZVST-VWLOTQADSA-N 444.966 4.828 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCc1cc(Cl)ccc1Br 1680549829 FARHTIWLILUNEN-LJQANCHMSA-N 432.749 4.893 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1 1682003681 UBFPNFCFDUXEKD-QFIPXVFZSA-N 440.385 4.656 30 10 IJEE C=C1CCC(CNC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)CC1 1685165807 FHWJDBZIDSNRFI-UHFFFAOYSA-N 428.577 4.523 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCN1CCCC[C@H]1CC 1690088370 JNDXOYMTNXVEBS-NFBKMPQASA-N 425.596 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1690236195 JNIPWJHWXSXSRH-DVKRWUGUSA-N 437.632 4.878 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC1CCN(Cc2cccs2)CC1 1690261730 XUGIEJSVYAYTGN-UHFFFAOYSA-N 438.645 4.660 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCCN(C(C)(C)C)CC1)c1ccccc1 1690442567 WECFXUULLZHZLH-QHCPKHFHSA-N 446.643 4.954 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1690507091 CUECEXIGQFPZID-QHCPKHFHSA-N 433.600 4.859 30 10 IJEE C=CCN(c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)CC(F)(F)F)C1CC1 1690541168 QDGWMWNIXNVZAD-UHFFFAOYSA-N 444.505 4.532 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@@H]1CCCN1C1CCCCC1 1690571749 HXBXATDAJBACPH-QFIPXVFZSA-N 425.596 4.969 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1690681076 FMNCNTLUTFJDHI-DEOSSOPVSA-N 433.581 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCSCc2ccccc2F)C1 1690690221 UJJWNPCKUPWPGW-LJQANCHMSA-N 442.560 4.700 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1690734123 WFPBHABCXZHXLZ-IEBWSBKVSA-N 428.602 4.824 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)Cc1c(F)cccc1Cl 1690748658 BTVDZOKFUFHIDG-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE CCN1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1695852519 DAWPTUDTNOQTQZ-QFIPXVFZSA-N 441.023 4.527 30 10 IJEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 1697397865 ADHUIURMFXLGHB-BHIYHBOVSA-N 449.521 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705484504 PVAGWELYXIBCGN-LSDHHAIUSA-N 425.989 4.686 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)C(F)(F)F 1705670342 QILRIEWNWUEFNB-OAQYLSRUSA-N 436.478 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC1=CCCOC1 1705677775 BBSBLWABZDSDPD-JOCHJYFZSA-N 428.989 4.563 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705749490 YLOCROZNQPDAOV-UHFFFAOYSA-N 426.870 4.608 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2oncc2C1 1705786387 MSUFBVFUVBYAFO-MRXNPFEDSA-N 425.508 4.710 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1705791456 WMQLQARKGZEMAS-NRFANRHFSA-N 427.568 4.588 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@H](C(C)C)C1 1705827553 JFHZCLZDDIGOCH-NRFANRHFSA-N 437.613 4.664 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cc(C(C)(C)C)no1 1705865299 IGTKVEOLSBVGAH-UHFFFAOYSA-N 434.569 4.928 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1ccc(Cl)nc1 1705877632 CBBQUSDHZBOELU-UHFFFAOYSA-N 444.970 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCC(C(F)(F)F)CC1 1722296694 UIDSMZVANKEREH-FLAIETJXSA-N 448.489 4.617 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C)c1 1722389997 NRHXWMUKTIKMGO-FQEVSTJZSA-N 428.605 4.951 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](C)c1ncc(C)s1 1722476014 LTUCEHQJHUMFJK-MHECFPHRSA-N 435.597 4.726 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1nc2ccccc2s1 1722547359 MSOQMNXXTPFQGU-UHFFFAOYSA-N 431.352 4.992 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1722568114 BKRKIEHTIYREHS-XMMPIXPASA-N 437.632 4.832 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722598053 XIBHTKPSMUTGAN-JOCHJYFZSA-N 434.588 4.965 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@](F)(C#N)C1 1722606900 KFJPHDGJVKKXPG-SFHVURJKSA-N 438.732 4.769 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(C)C)CC1 1722608534 GUKPMUZNBNRJTN-LJQANCHMSA-N 432.012 4.816 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC1C[C@H](C)O[C@@H](C)C1 1722655864 SWCNUTHJMIESBP-PMACEKPBSA-N 444.583 4.551 30 10 IJEE C[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCCCC1 1723793465 APDOAJMNHFKAKX-NFBKMPQASA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1740567381 QTVIBNABYMMKSR-WMZHIEFXSA-N 440.563 4.756 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1740582501 FBEYYYVGUPNYII-SFHVURJKSA-N 438.373 4.751 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1740592989 OTLXEDYIDPWUHE-FQEVSTJZSA-N 437.588 4.879 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCc2ccccc21 1740603611 YGRPBBASYYYUFS-INIZCTEOSA-N 441.398 4.959 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)Cc1cc(Br)cs1 1740709916 RWNXMXWUEJTSHB-CYBMUJFWSA-N 427.437 4.618 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(CCC#N)CCC(C)C 1740757776 XJTKENOKTPPJGH-SIKLNZKXSA-N 425.552 4.832 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1740818815 VTTYMDGQOPKCGT-ACRUOGEOSA-N 441.595 4.834 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc2c(s1)C[C@H](C)CC2 1740903636 GAGCRKWOHBVTCS-QGZVFWFLSA-N 437.613 4.726 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCN(C)CC(F)(F)F)C1CC1 1740906155 FAUPAPMMHKMDLH-UHFFFAOYSA-N 445.892 4.777 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CCN(C(C)=O)CC1)C1CC1 1740907159 PTSQWXHXVYIGIY-UHFFFAOYSA-N 435.616 4.656 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCC2(CCCC2)C1 1741005603 ZZKJRSOCSWKIDX-UHFFFAOYSA-N 428.602 4.555 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccccc1Cl)N(C)C 1741804361 BBYYBJFQOUAMKA-LAUBAEHRSA-N 429.012 4.705 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1748738461 DNTCCLJKKTYOEF-QFIPXVFZSA-N 442.991 4.566 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1Cc1ccc(OC(C)(C)C)nc1 1748946679 ODQUVWUJUFQIGF-UHFFFAOYSA-N 447.558 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCc1nccs1 1749122182 SRHWHKKHCFIRID-UNMCSNQZSA-N 437.613 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCc2cc(OC)ccc21 1749162081 IXDCWTDLXQBDKG-OAQYLSRUSA-N 431.584 4.795 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1749330930 RZBLQJKRDWIEEE-HXUWFJFHSA-N 425.964 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1749373671 QKMKMUSCGRNXIF-UHFFFAOYSA-N 446.599 4.741 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ncc(CC)s1)C1CC1 1749508114 JLZOBGFNGZRYFW-HNNXBMFYSA-N 427.549 4.779 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CC1 1749511267 HFRUOXFTHVZLEO-QZTJIDSGSA-N 444.023 4.641 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCOc1cc(C)cc(C)c1 1749550765 IHYWMBKHRLBWJN-UHFFFAOYSA-N 446.580 4.685 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C1CC1 1749553662 KWIMQMZGXBITMY-UHFFFAOYSA-N 443.617 4.982 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cc(COC(C)(C)C)on1 1749573062 KMPDKXHNFGPACO-UHFFFAOYSA-N 446.555 4.956 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1750243434 FAVRTBWZYFHTCB-QFUCXCTJSA-N 425.602 4.639 30 10 IJEE Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1 1751348797 DVELOTWNLKIGTA-KRWDZBQOSA-N 448.552 4.527 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(C)ccc1F 1760130659 NHUGRSZPJGKZJJ-UHFFFAOYSA-N 444.352 4.923 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)S[C@H](C)C1 1760274159 GUIDHSBJLKWUFX-NSHGMRRFSA-N 444.670 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)C[C@H]1CCCO1 1760320295 WVJUWDGUWYMJJS-NRSPTQNISA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1760324118 IIISGWXHJMDXBS-UGKGYDQZSA-N 439.991 4.634 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@@H]1CC 1760351228 CEQXAMGMBNVAEG-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CCOCC)CCC2)CC1 1760384009 HGBVHFACQITVFD-UHFFFAOYSA-N 425.533 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](COC)C1 1760409562 ZBWVGYXPEXVGMM-NRFANRHFSA-N 426.605 4.697 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1760435582 OGGYUSVMROLWTL-QGZVFWFLSA-N 429.540 4.544 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1c(C)noc1C)C1CC1 1760470225 YADWJKNAJHOBBA-UHFFFAOYSA-N 434.363 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C2CC2)c1 1760484051 LFPHKKOBLUGYEN-UHFFFAOYSA-N 435.597 4.596 30 10 IJEE C=CCSCCn1c(N2CCC(NC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1760568872 VZSFINXEIFQLFW-UHFFFAOYSA-N 439.673 4.634 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[C@H]2CCO[C@H](C)C2)c2ccccc2n1 1761674434 DXQFOYJHESGDFK-AQNXPRMDSA-N 432.572 4.745 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)s1 1764602327 BINASTWMZSBKDL-ALKREAHSSA-N 436.585 4.834 30 10 IJEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)Cc1cccs1 1765107112 GDLWDIUFKWTRHH-SFHVURJKSA-N 445.596 4.517 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)c(C)c2)CC1 1772555323 WAVKZEPIKNOPAO-UHFFFAOYSA-N 444.352 4.934 30 10 IJEE CSc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)cc2/C=N\NC(N)=S)cc1 1857807101 UVJNUHYDZCDHBN-AFPJDJCSSA-N 436.393 4.735 30 10 IJEE CCN(CC)CCOC(=O)c1ccc(NC(=O)C(=O)/C=C/c2cccc3ccccc23)cc1 1860727774 FQEJWNGMENGOPP-SAPNQHFASA-N 444.531 4.559 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccccc1 1861340477 HDBIRDREBIIQRK-QFIPXVFZSA-N 441.528 4.551 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cccc(C)c1C 1861645727 SWMGUPAKJXRZON-XMMPIXPASA-N 438.612 4.886 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-c2ccccc2)cc1 1862117465 FAIYPXPCMZROQJ-SANMLTNESA-N 440.543 4.601 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862382889 HDBPFOCBVFZEAQ-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862431950 SCDKVNQJQXLYKA-UTKZUKDTSA-N 425.912 4.660 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862477276 KEIYUZOJNYDCQU-QHCPKHFHSA-N 449.453 4.931 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862521610 MGZOKOKLKUPTBQ-DEOSSOPVSA-N 448.563 4.845 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(F)cc1F 1862561877 YYOOHAIUNMBCOV-JLCFBVMHSA-N 434.442 4.887 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(F)c1 1862627799 QEXUPRCVNNRRKC-JPEVHGAISA-N 437.467 4.711 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C 1862674176 LDQHLROKTBVLCF-JOCHJYFZSA-N 425.500 4.919 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 1862725192 CRLUFSOGTADNSA-JOCHJYFZSA-N 433.891 4.578 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1ccc(F)cc1 1862746196 APELRISTTKQDIJ-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE C=CCNC1=C(c2ccc(OCc3ccccc3)cc2)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O 1863707647 BLFGPQUHBYLHSP-WMZHIEFXSA-N 430.548 4.700 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C 1868650478 NLWNLIXCIYHGBX-FQEVSTJZSA-N 443.975 4.722 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)c(F)c2F)n(-c2ccc(Cl)cc2)n1 1870002686 UXOAEGBUNHYBAN-UHFFFAOYSA-N 447.848 4.769 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccccc3)c(CN3CCCCCC3)cc2=O)cc1 1870348865 PCKDDGHOULLUNQ-UHFFFAOYSA-N 427.548 4.723 30 10 IJEE C=CCOc1cn(C[C@@H]2CCCO2)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870810535 HMMNAPLJUWVZNT-VWLOTQADSA-N 446.547 4.783 30 10 IJEE C#CCOc1cn(Cc2ccccn2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871007607 JYKULVUHLZFVFU-UHFFFAOYSA-N 437.499 4.708 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)c1 1871374458 LKYIROWYKPDCQU-XKZIYDEJSA-N 429.428 4.976 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871422325 VYANOLJIUDSUPV-BKUYFWCQSA-N 425.437 4.713 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871432471 GZAFDRDUONHJEJ-KSEXSDGBSA-N 431.444 4.733 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3cccc(C)c3)c2C)C1=O 1871455973 GRJNGGLYRPCGBU-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871792202 VNUDBAPELMUMIN-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccccc1 1872470393 XERGXXNTEDAZSJ-QFIPXVFZSA-N 446.638 4.576 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)c(OC)c1 1872783924 LNYGFSOGPCHHLT-INIZCTEOSA-N 428.897 4.979 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)c1 1874311017 ZXZBERCJXWGLAA-ZXVVBBHZSA-N 443.576 4.684 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccco1 1874311307 IDAXXWCERNQORD-MFKUBSTISA-N 436.512 4.979 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccc(O)c2)cc1 1874350649 WYSWBHMCZKMFGD-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1cccc(Cl)c1 1874372702 NGGGFDPSHJWVFW-LPYMAVHISA-N 449.001 4.706 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(SCCCO)nnc2[C@H](C)c2ccccc2)cc1 1874401706 TXBWHXSSXXVAAB-VWBBVOOFSA-N 437.613 4.633 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CCCC2)cc1 1874454624 QIDWNSOBVPROFJ-MFKUBSTISA-N 449.580 4.866 30 10 IJEE COCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874471493 MSYNOOYOQOHBCK-DHRITJCHSA-N 434.487 4.969 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1F 1874482554 GNJIFFIGARQQOY-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccc(OCC)cc1 1874567771 PPARRAZDHDFLHA-HZHRSRAPSA-N 426.542 4.606 30 10 IJEE COC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)ccc1OC 1874592166 QFZVKPQZJIJEOV-ZZXKWVIFSA-N 439.689 4.559 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)OCC(C)C 1874631530 HOZAKVPIUOAZJW-CSKARUKUSA-N 426.509 4.795 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1OC 1874694258 UHEQVVHIYCODIE-FMIVXFBMSA-N 448.471 4.593 30 10 IJEE CCc1ccc(C(=O)/C=C/c2cc(OC(=O)CCOC)c(OC)cc2Br)cc1 1874694594 LHCBVEIGEBJOTI-MDZDMXLPSA-N 447.325 4.858 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)CCOc1ccccc1 1875094747 HODPCNYYNPTFKF-ZRDIBKRKSA-N 447.443 4.874 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 1875146599 CCMAHBFDSFQAHK-AWNIVKPZSA-N 444.483 4.901 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)c(Br)c3)cc21 1891284148 SHWRFRAVGUXDOL-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1991568322 KNFKPPVTNFBMRO-HXUWFJFHSA-N 431.524 4.951 30 10 IJEE Fc1ccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)cc1F 2080802913 PMHUIQHPACMNMV-UHFFFAOYSA-N 442.047 4.928 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)CC#C[Si](C)(C)C 2130927656 QINBAYMWXKELGG-QGZVFWFLSA-N 438.438 4.725 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCCC 2159124772 JQJWBTDTTZMSPQ-UXHICEINSA-N 437.422 4.975 30 10 IJEE C[C@H](C1CC1)N(CCC#N)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2181047754 PQVBBXKGGOTLJV-CYBMUJFWSA-N 436.350 4.950 30 10 IJEE CCC[C@]1([C@@H](C#Cc2ccccc2Br)NC)CCCN1C(=O)OC(C)(C)C 2235721366 DILVGEPCCLFGTE-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 2235730922 PNYXCZPLLFXBJW-NLWGTHIKSA-N 433.390 4.638 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(O)C#Cc1ccccc1Br 2235740968 RUGQMQWYSJTFGU-HTAPYJJXSA-N 434.374 4.637 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2242571422 IMXTWQHROUCNKC-OAQYLSRUSA-N 443.385 4.826 30 10 IJEE C=C(COCc1ccccc1)C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 2258198963 JKWYBXMSDHCJCM-UHFFFAOYSA-N 436.552 4.699 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2261830577 YBDCNNXMDKRBSS-UNMCSNQZSA-N 447.572 4.655 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 2282697574 RSWDMAXHWSMCCE-JOCHJYFZSA-N 449.400 4.504 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2cccc(Br)c2)c2ccccc21 2296217060 QEPBCGJFCQOCET-OALUTQOASA-N 427.342 4.667 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 2296280254 YIIALGGSLPQARU-DLBZAZTESA-N 445.348 4.717 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc4c(c3)OCO4)c2C)C1=O 2322775634 HRKIGSDMGHLGKG-UHFFFAOYSA-N 444.439 4.958 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OC(=O)C=C(C)C)ccc2C1=O 2323718867 LLUCLRSMKRKJDK-UHFFFAOYSA-N 429.266 4.946 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1Cl)Nc1nccs1 2324241467 NXINYDMFGWIKOR-UHFFFAOYSA-N 434.851 4.988 30 10 IJEE Cc1c(OCC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc2c1OC(=Cc1ccco1)C2=O 2325648722 LUKDCDKECHVVBZ-UHFFFAOYSA-N 443.455 4.814 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4Cl)ccc3C2=O)cc1 2325717711 YEXJDXMLHMRQPD-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1OC(=Cc1ccccc1F)C2=O 2325744970 YPYLKBMICWBHRB-UHFFFAOYSA-N 448.446 4.751 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(OC)c1O 2326540959 JMQJKNAPKFIPEG-UHFFFAOYSA-N 444.944 4.693 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2cccc(C(F)(F)F)c2)c1 2326749958 AXNRNHNZFSDLQQ-UHFFFAOYSA-N 434.443 4.566 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cn(CC)c2ccccc12 2326756870 SHCVWYQTTGBLGR-UHFFFAOYSA-N 447.564 4.776 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cc(OC)ccc1OC 2328559596 VHPWCPSYOGHZSQ-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccc(F)c1 2329523231 XKPTYHLJNDMZJK-UHFFFAOYSA-N 445.951 4.580 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(CCc2cccs2)nnc1SCc1ccccc1 2329662890 KLYGZSOWKQJYKT-UHFFFAOYSA-N 448.573 4.998 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)NCc2ccccc2)cc1 2330878366 NJHBZBKFASNWBS-UHFFFAOYSA-N 449.624 4.720 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 2330954873 NYLOTWCENOPGEN-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@H](N)C#Cc3ccccc3Br)(C2)C1 2358671243 GKBHCPQHWFCFMC-ZWDAVXSWSA-N 433.390 4.555 30 10 IJEE CCN[C@@H](C#CC1CCC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362717620 NNVMLTAZJDCLKR-PMACEKPBSA-N 435.406 4.667 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=O)N=C2O)cc1OCC 2932615 BFXIVWPVBAIQIM-XMHGGMMESA-N 436.464 4.556 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1 34955418 JSLHZKZQUBRTRV-NTUHNPAUSA-N 448.471 4.836 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)cc2)c1 35279004 COWUUPRCZITBCB-NRFANRHFSA-N 443.927 4.744 30 10 IJEE C#CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 36345931 NSXSHNQUFISTRZ-DEOSSOPVSA-N 447.579 4.504 30 10 IJEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n([C@@H](C)c4ccccc4)c3O)oc2c1 38623419 XIVKTRWNRIOYHK-KRWDZBQOSA-N 426.472 4.937 30 10 IJEE C=CCOc1cccc(NCC(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c1 66064697 WJSNDYBCRVZSNN-IBGZPJMESA-N 429.520 4.793 30 10 IJEE Cc1nc2c(cc(OCC(=O)N[C@@H](C#N)c3ccc(F)cc3F)c3ccsc32)s1 111223193 CPCGEEUXNORWRY-HNNXBMFYSA-N 429.473 4.858 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)c1 169939156 POMJXOJOHLSJFB-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1cccc(C)c1 169941914 LTVWNSICYJMLKA-XMMPIXPASA-N 441.483 4.721 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169971093 COXMLYVLBQXMTO-HXUWFJFHSA-N 434.517 4.865 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)c1 170002778 WOYQGPCJOXSQHK-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccnc2)ccc1F 170010005 NJUNCFFQWNUTKQ-HXUWFJFHSA-N 438.842 4.671 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1 170025642 WYWZGYMPKLKWNK-XMMPIXPASA-N 442.515 4.876 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 170080289 JGTQIKUZNZRIRT-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccco2)c1 170089730 ZHGGJQMYVAIYNV-NRFANRHFSA-N 448.431 4.760 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 170114327 ACERIGZKIBVCQE-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170116862 CZLYGPCQPBIDIX-NRFANRHFSA-N 441.911 4.878 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170135736 DAWWXJVIFHCNSM-QHCPKHFHSA-N 433.504 4.628 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)cc1C 170206459 JHFUTVKSVMEWHD-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccc2)cc1 170224988 ZRIIZKZXUVYQFR-XMMPIXPASA-N 441.483 4.803 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(C(C)C)cc1 170244369 SKYATAVKNHPMSD-QHCPKHFHSA-N 437.536 4.822 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1Cl 170250512 UNYSBKSBFLTPDH-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@@H]3c3cccc(O)c3)oc12 170264412 ZBYJORATCTTWMZ-OAQYLSRUSA-N 433.460 4.668 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265972 NYYVHYGVOXKPHP-UPVQGACJSA-N 449.547 4.794 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2sccc2C)c(OC)c1 170317475 BYOBAJMXTZJGLE-HXUWFJFHSA-N 441.549 4.985 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC)c(O)c1 170322271 LTKXARATTGBBPF-SFHVURJKSA-N 436.291 4.696 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(OCC)c2)cc1 170364917 SJHNEQHPWNETLU-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccccc2OC)ccc1OC 170440978 YODDILDKRYKJFI-HSZRJFAPSA-N 439.508 4.618 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(F)cc2F)ccc1OC 170441682 LGUPFMZGCAPHDS-JOCHJYFZSA-N 445.462 4.887 30 10 IJEE CCc1c(-c2cc(Br)ccc2I)sc(C#N)c1N 234140133 XASOAEWZGAMDEP-UHFFFAOYSA-N 433.112 4.798 30 10 IJEE O=C(Oc1c(C=NN2CCOCC2)sc2ccccc12)c1ccccc1Br 252629180 UAKOAQZIZCCDGT-UHFFFAOYSA-N 445.338 4.549 30 10 IJEE COc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1cc(C)cc(C)c1 254608578 RDUXJYYOTKRJRO-UHFFFAOYSA-N 436.459 4.672 30 10 IJEE CC(=O)N1CC[C@@H](Nc2cc(C)c(C#N)c3nc4ccccc4n23)c2ccc(F)cc2C1 302179665 DMXGCHXMMKFPCO-OAQYLSRUSA-N 427.483 4.712 30 10 IJEE C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CCC(Oc2ncccc2C#N)CC1 437102110 FTTIIFVVARFQSW-FAEJEUNOSA-N 446.473 4.669 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccccn3)nc2O)cc1F 437497322 RNKWJHFTWAXFCC-UHFFFAOYSA-N 426.407 4.905 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3ccnc4ccncc34)s2)c(C(F)(F)F)c1 483640995 AETKLPXOFXAYAR-UHFFFAOYSA-N 439.422 4.820 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 508907828 OZTGUQQTTDAHJW-VWLOTQADSA-N 440.547 4.795 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC)cc1OC 526803971 ZBVDIUVBTPDDAE-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 558998448 VNCSVOSUNXXTPE-QGZVFWFLSA-N 449.502 4.578 30 10 IJEE C=CCn1c(Sc2ccc(Br)c(C(F)(F)F)n2)nnc1-c1ccncc1 579990207 RWXGLUNSESAMBK-UHFFFAOYSA-N 442.264 4.854 30 10 IJEE C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(OC)ccc1OC 586249739 ORUNFCGTATWIDQ-UHFFFAOYSA-N 425.506 4.877 30 10 IJEE CCCCCCC[S@](=O)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 586292731 BEVUECMFYCWOBP-JMGYQRAPSA-N 427.632 4.707 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC2(CC1)OCc1ccccc12 669812824 CHLCVLJFMRXNBA-UPVQGACJSA-N 442.563 4.735 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCCC2(F)F)nnc1-c1ccc(Cl)cc1Cl 672500450 JZPDIMZQKYINLU-AWEZNQCLSA-N 447.338 4.834 30 10 IJEE C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(Br)cc1Br 767705229 ZJRBRACYIKDAHO-MNOVXSKESA-N 433.140 4.684 30 10 IJEE C[C@@H](OC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787552173 WTQUAZAPKNQWHM-OOWUWCJESA-N 426.875 4.514 30 10 IJEE C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4nccc5ccccc45)nc(O)c23)C1 792104956 SJYYPAYWZISUKE-RDTXWAMCSA-N 442.544 4.879 30 10 IJEE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806835 RAJKGSWPMHLWTN-BBRMVZONSA-N 435.455 4.780 30 10 IJEE COc1cccc([C@H](CNC(=O)/C=C\c2cn(CCC#N)c3ccccc23)N2CCCC2)c1 1086846548 MJAOWSGNUWEGCP-NIFVDBSRSA-N 442.563 4.530 30 10 IJEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(C)c1C#N 1124063271 IFFOWZDQJZPNJN-HSZRJFAPSA-N 441.553 4.550 30 10 IJEE C=CCN(C(=O)CC(C)(C)CC(=O)OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124415053 GVABGGCBUIXLNC-UHFFFAOYSA-N 431.514 4.607 30 10 IJEE C#CCCNC(=O)c1cc(/C=C/c2cccc(OC)c2)nc2ccc(Br)cc12 1126066067 QSFDDQVSUZECQV-CSKARUKUSA-N 435.321 4.929 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)C(=O)OCC 1132192381 GDBBFJUQPZBVCL-QGZVFWFLSA-N 448.306 4.590 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)c1ccccc1 1132949004 PMSVCUMOWBXYRY-SFTDATJTSA-N 429.358 4.840 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3cc(Br)ccc3C#N)CC2)C1 1163426592 CARPJGTYPKGMOE-KRWDZBQOSA-N 434.378 4.794 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)Nc3ccc(OCc4ccccc4)cc3)c2c1 1189649127 BWKKPFCKZKQIJS-UHFFFAOYSA-N 439.471 4.712 30 10 IJEE C=C[C@H]1CCCCN1CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 1193941889 IVSYUCSLEYYASY-AVRDEDQJSA-N 442.485 4.828 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)Nc3ccc(CCN4CCSCC4)cc3)CC2)cc1 1199303602 GHJRZPNFWQYAEM-UHFFFAOYSA-N 434.609 4.561 30 10 IJEE C#C[C@H](NS(=O)(=O)c1c(Cl)cc(C)cc1Br)c1ccc(Cl)cc1 1212074894 KSSODPQWGSHYJR-HNNXBMFYSA-N 433.154 4.717 30 10 IJEE C#CCN(C(=O)Nc1cc(F)cc(N(C)C)c1)[C@@H]1CCOc2ccc(Br)cc21 1219376915 KVKLLJRUQHRISN-LJQANCHMSA-N 446.320 4.645 30 10 IJEE C#CC[C@@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccc1 1230565129 DVNVBPFGJLQIFL-HSZRJFAPSA-N 435.568 4.878 30 10 IJEE C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1ccc(Cl)cc1Cl 1270868561 FZPNEPJSFCZTQR-JTQLQIEISA-N 428.113 4.884 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc1Cl 1273993967 CMNULLJCROXMJQ-CYBMUJFWSA-N 435.417 4.792 30 10 IJEE C#C[C@@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc(Br)cc1 1275463048 HTEFWZQCKOXVBR-HXUWFJFHSA-N 438.321 4.944 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCc1nc2c(s1)CCCC2 1286453480 ALODDOSLVCCBLO-UHFFFAOYSA-N 437.588 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1cccc(F)c1 1286517264 FBWJDEZBQJJALX-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](CN(C)CCC)C1 1286587640 OPJHDVOPKOBBLS-OALUTQOASA-N 427.662 4.876 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1286610914 DFSICISHIPTQRO-HXUWFJFHSA-N 441.601 4.723 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1286626473 XITHLDHCCHVBNG-UHFFFAOYSA-N 429.735 4.614 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCc2sccc2C1 1286635927 GMCQTEYUYWCDRS-UHFFFAOYSA-N 433.002 4.956 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1286663684 GVMFSHMEWRZGJV-RDGATRHJSA-N 436.600 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCOC1 1286666716 DRYUGFBIEXLBIH-AWEZNQCLSA-N 439.423 4.844 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](OC)C1 1286668888 WUSWGRQGKNEHNM-AWEZNQCLSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(COc2ccccc2)CC1 1286670498 IEDZYYYWVOPRDX-UHFFFAOYSA-N 432.572 4.633 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(C1)OCCO2 1286681608 PTWLBNJVGIIEFN-OAQYLSRUSA-N 435.572 4.543 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286690360 QAQMHGNCAMJTNF-NJDAHSKKSA-N 430.637 4.684 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1286736579 DXDXZANNSQRIBJ-GOSISDBHSA-N 429.609 4.738 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)SC 1286766337 OZVOEWXPQRWPPL-MRXNPFEDSA-N 434.675 4.912 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)Cc2cccs2)C1 1286805511 SRGKAVJGFUYAMX-WIYYLYMNSA-N 438.597 4.675 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C/C=C/CC)C1 1286805939 VRWQXSFPJAWASH-SQRWCISFSA-N 435.341 4.594 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)S[C@H](C)C1 1286822474 DSMRGHQPHXXETA-IXDOHACOSA-N 436.622 4.807 30 10 IJEE N#Cc1cc(C(=O)Nc2ccc(Br)c(Br)c2)cnc1C(F)(F)F 1288111618 FZBIPQPWEMSZBO-UHFFFAOYSA-N 449.024 4.749 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)cc2n1 1289217647 FRDAFGXSQPLJKP-UHFFFAOYSA-N 438.531 4.847 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C#N)o1 1300271026 GBYYOBIHCIPIKN-SJORKVTESA-N 437.931 4.659 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1300422047 XGOUQCPKZDGDCE-HSZRJFAPSA-N 448.567 4.968 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CCC[C@H]21 1300424539 JBXJOVAMBFLENP-ZCNNSNEGSA-N 427.593 4.532 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1300450837 XUGLWZQZKCSSQE-UWJYYQICSA-N 440.016 4.813 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301207895 IITVHMZQBKKYMF-DYVFJYSZSA-N 439.785 4.534 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCC1(OC)CCC1 1301375160 KFRQGBBDKVXXCP-UHFFFAOYSA-N 449.368 4.984 30 10 IJEE Cc1cccc(CCn2c(CCCc3ccccc3)nnc2N2CCC(CC#N)CC2)n1 1304492939 HSVFERIYKGTEFH-UHFFFAOYSA-N 428.584 4.530 30 10 IJEE CCN(CC1CCN(c2ccc(C#N)c(Br)c2F)CC1)C(=O)OC(C)(C)C 1306977915 GHNJAZMXSXCLAM-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE C=CCn1c(SCCCNC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307237453 ADMJGAOBGMODSZ-AWEZNQCLSA-N 449.642 4.776 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)[C@@H](C)CC)nc2scc(-c3ccccc3)c2c1=O 1307261017 KEBRJFGFMREAGC-KBXCAEBGSA-N 428.579 4.991 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CC=C(c4cccc(Br)c4)CC3)C2=O)cc1 1307662458 CFCRIZWOKKYILW-QFIPXVFZSA-N 436.353 4.605 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 1310374467 QLYCSMMOVMEARO-VWLOTQADSA-N 449.570 4.992 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccc(C(=O)OCc4ccccc4)cc3)cc2n1 1311237515 IZQQOUAMRVMQJS-UHFFFAOYSA-N 440.503 4.901 30 10 IJEE C=CC1(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCCC1 1347777458 UITLUCKQAMYFKK-UHFFFAOYSA-N 425.451 4.789 30 10 IJEE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](CC#N)c2ccccc2)cc1 1358186002 HKEYEAXCSLOGSW-QFIPXVFZSA-N 433.533 4.740 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCSC1 1358907243 IUECBTAWQKJXQS-CYBMUJFWSA-N 425.421 4.514 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCCCC1 1359020506 FVYVRASJXCOUKQ-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCCCC1 1359064024 JKUOXHMVBHQVBB-WNCULLNHSA-N 449.643 4.903 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC(F)(F)CO1 1359107179 FHHMZKXIUOEWII-OALUTQOASA-N 434.531 4.862 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1359179103 LZYWGIDBKXKTAV-UHFFFAOYSA-N 435.616 4.553 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H]1OCCC1(C)C 1359260787 OEPLHVKSPGMXGP-RTWAWAEBSA-N 428.552 4.667 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCO1 1359277432 MBVIOVQZYUFTAG-QFIPXVFZSA-N 440.975 4.920 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC#N)CC1 1359339020 QAJCBMIWNVOUPK-UHFFFAOYSA-N 431.993 4.656 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(CCC#N)CC(F)(F)F)CC1CCCCC1 1435332191 BFCRIVIONYIFCD-KRWDZBQOSA-N 433.515 4.935 30 10 IJEE C=CCN(C(=O)c1csc(C2CCCCC2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1435899872 LIZPPXGZMIGUTI-NRFANRHFSA-N 426.582 4.993 30 10 IJEE C#C[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)c1ccc(Br)cc1 1436650442 BMUVHXQGNDXRQY-SFHVURJKSA-N 434.374 4.922 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C 1437502530 IDERORRNLUJJMQ-YCRPNKLZSA-N 446.341 4.625 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CSCN3C(=O)c3ccc(C(C)(C)C)cc3)cc21 1439757177 LRFMPOOOHNLHFX-QFIPXVFZSA-N 448.592 4.674 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H](CO)c2ccc(F)cc2F)c1 1453887359 HJMKAPYWQBLRTH-HXUWFJFHSA-N 428.822 4.746 30 10 IJEE CCCOc1ccc(NC(=O)NC(=O)COc2ccc(C#N)c(Cl)c2)cc1OCCC 1459034072 DMRBAJMUDORJOK-UHFFFAOYSA-N 445.903 4.516 30 10 IJEE COc1ccc(Cl)cc1C[C@@H]1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 1459523345 DITWUZCYRRJRPU-WBVHZDCISA-N 429.948 4.712 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3ccccc3)[C@H]2C)n(Cc2ccc(F)cc2)c1C 1459618137 BGAOXQJBHVNAGI-YKSBVNFPSA-N 444.554 4.981 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Br)c(C3CC3)n2)cc1OC 1460547278 RIYXCUMQKIUSGC-WZUFQYTHSA-N 429.314 4.947 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nc(Sc2ccc(OC)cc2)ns1 1466744649 DZDDOUIKRYWSQH-UHFFFAOYSA-N 442.566 4.927 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1ccc(OC)c(OC)c1 1466816703 KZSZHDIJCFFTAJ-UHFFFAOYSA-N 435.318 4.695 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC2CCCCC2)C(C)C)nc2sc(C)c(C)c2c1=O 1472928762 DOSQIHHHKQOJBD-SFHVURJKSA-N 433.643 4.826 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc3cnccc23)c1 1474780452 SLBOUWAVJJNUKR-UHFFFAOYSA-N 445.496 4.798 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC 1476483738 VTMJOHTVBVQMAR-SFHVURJKSA-N 433.474 4.550 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1 1478806783 QQWJTXXHHMGDCV-QFIPXVFZSA-N 445.567 4.592 30 10 IJEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H](C)c2nccs2)cs1 1492688160 FPJIUTKJQRLODH-HNNXBMFYSA-N 449.609 4.521 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1507537359 UVGKXAGAMJNLEO-HZPDHXFCSA-N 440.016 4.610 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507701007 XAMCDSKCJVRSEI-SZPZYZBQSA-N 439.623 4.939 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1507780401 BIKUEGADHIUMMI-CRAIPNDOSA-N 445.386 4.882 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1cccc(F)c1)C(C)C 1507783586 FNDMCRDGTAHOLE-SFHVURJKSA-N 437.357 4.982 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1507802680 CMYVPLLVOYWRBX-WIYYLYMNSA-N 428.602 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)CC 1507810736 XXFVRRDIKKPKMG-FGSXEWAUSA-N 432.996 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1507816879 ZBTCMEVEVYQVCQ-HSZRJFAPSA-N 449.599 4.631 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC2(CCCCC2)C1 1507826787 CIALIIIRKOFVIH-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1507928436 FDRMTBNHNLWSLA-RBUKOAKNSA-N 427.618 4.834 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 1507951664 VQYGXICDBKMTLD-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)c1cccc(F)c1 1507972180 ZKSAVCXPFNFWME-UHFFFAOYSA-N 446.368 4.785 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1Cc1ncc(CC)s1 1507997609 BZMMENOXEIGNRP-UHFFFAOYSA-N 434.569 4.542 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[C@H]21)C(C)C 1508011396 RDLZJCIRTURPTK-PWRODBHTSA-N 441.023 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cn(C)nc1-c1ccccc1 1508025674 PIEGDUMGBPUPQR-UHFFFAOYSA-N 444.583 4.853 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508049975 OPZDKJIPQOYADH-FQEVSTJZSA-N 437.357 4.674 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1508061904 FPXHNTJMZNVAKB-SFHVURJKSA-N 444.988 4.953 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1508147416 KDUXHXRPQJNEJL-IRXDYDNUSA-N 427.618 4.549 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2CCCCO2)C1 1510289136 BWOZCDKHRVGDFP-NFBKMPQASA-N 427.980 4.612 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)C1 1516636086 GROLSWCJEQRVQH-FPOVZHCZSA-N 443.542 4.895 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCCc3c(F)cccc32)nnc1-c1ccco1 1523953499 HRTATPTWMPWKCE-GOSISDBHSA-N 426.517 4.539 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)[C@H](C#N)C1 1525126713 DPTZVOWZZSFVQX-LLVKDONJSA-N 440.352 4.793 30 10 IJEE C=CCc1ccc(OCC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)c(OC)c1 1525382794 WFCDXPSXRCOQQK-UHFFFAOYSA-N 440.540 4.508 30 10 IJEE Cc1cc(C)c(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c(Br)c1 1525508554 RBWCYXVEXZYINZ-INIZCTEOSA-N 438.366 4.982 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C 1525890638 QEEWDOSKHBSYAE-OAQYLSRUSA-N 437.471 4.513 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(-c2sccc2Br)n1)c1ccc(F)cc1 1528461913 LROAIIFCYMQKEB-HNNXBMFYSA-N 435.343 4.806 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1528714152 FLHUIUKHHKHEMV-QFIPXVFZSA-N 426.495 4.991 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)cc2)[C@H](c2cccc(Cl)c2)C1 1530164844 DOTIEBOSLFYXON-FQEVSTJZSA-N 425.916 4.646 30 10 IJEE Cc1nc(SCC(=O)O[C@@H](c2nc3ccccc3o2)C(F)(F)F)c(C#N)c(C)c1C 1531174308 CRFUJEWYABESBE-KRWDZBQOSA-N 435.427 4.959 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1OC 1534887813 IVFKBUBYWHGKRN-XBMZPMPPSA-N 444.934 4.803 30 10 IJEE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1538242968 RDIZCSLTGPTOHC-UVTDQMKNSA-N 425.319 4.985 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc3c(cc2Br)CCC3)CCCN1C(=O)OC(C)(C)C 1538483671 YFDFUNNIYGVYLO-JOCHJYFZSA-N 447.373 4.669 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1538992481 RWULCDXATMGOCA-LAUBAEHRSA-N 444.645 4.978 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCCC[C@H]1C 1539196773 WYKXMPDEWSSYEX-OAQYLSRUSA-N 425.646 4.603 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCC(C)C 1539245516 BJVFBWUSUCROCH-UHFFFAOYSA-N 433.781 4.870 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)c1c(C)noc1C 1539677415 BOAPVTKWVABDRF-MRXNPFEDSA-N 427.524 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1539882343 XITVXAMFLFLHHF-HXUWFJFHSA-N 430.600 4.872 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCCN(C2CCCC2)CC1)c1ccccc1 1539946999 GXYDYWMJXACWEN-QHCPKHFHSA-N 437.632 4.629 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1539972034 YFVUTJGSQXPMFB-JOCHJYFZSA-N 437.975 4.852 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1539990273 HPPBNDQBRSRGAO-LJQANCHMSA-N 428.577 4.712 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(Br)ccc2C1 1539998431 IKEVJTNCGCLIKP-IBGZPJMESA-N 431.378 4.811 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1540014826 XACLHIBNJUYGLO-PKOBYXMFSA-N 438.494 4.596 30 10 IJEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1540039963 LGYCRJQKCORCQI-SANMLTNESA-N 447.583 4.648 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nncn1CC 1540153228 BDCXYUIFWDHCPY-UHFFFAOYSA-N 439.976 4.651 30 10 IJEE N#CCCN(C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)c1ccc2c(c1)OCCO2 1542848723 HDLFRCZQKPEMGR-UHFFFAOYSA-N 444.274 4.980 30 10 IJEE C=CCN(CCOC)C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1543595361 IYBGZGKYTSYDAI-UHFFFAOYSA-N 429.523 4.630 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(OCC3CC3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1544309655 GQBQBDVXKRRRIV-QHCPKHFHSA-N 433.932 4.827 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1545472869 IEDQQFOMRNNRCY-IQGLISFBSA-N 446.555 4.815 30 10 IJEE CO[C@H]1CCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1555141118 DZYPLOHJSHFWSQ-PXNSSMCTSA-N 446.020 4.779 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1559307566 LCYAHZPSTCLNOV-VCBZYWHSSA-N 447.670 4.800 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)C1 1562296679 BZLCERRSIACFME-SJORKVTESA-N 429.952 4.783 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1 1562324630 XQZVIVULHVYPAZ-WOJBJXKFSA-N 431.330 4.744 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(Cl)c(I)c1 1562975501 RWGLPKJGJRVTFG-UHFFFAOYSA-N 444.631 4.740 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 1564774465 MNBKNNMKAXTTTR-ICSRJNTNSA-N 448.336 4.601 30 10 IJEE CN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 1564945917 IAZUVCBLHBPJGO-NJDAHSKKSA-N 430.335 4.542 30 10 IJEE CN(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 1564945919 IAZUVCBLHBPJGO-QHAWAJNXSA-N 430.335 4.542 30 10 IJEE C=CCN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 1567821085 FVTCRBFIVWLZFF-FQEVSTJZSA-N 445.350 4.852 30 10 IJEE C=CCOc1cccnc1C(=O)NCC[C@H]1CCc2ccccc2N1C(=O)OC(C)(C)C 1583685897 FAFGADWYZFKLND-LJQANCHMSA-N 437.540 4.523 30 10 IJEE O=C(c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)N1CCC[C@H](F)C1 1585540502 CQANBGVZTIPHNV-ZDUSSCGKSA-N 449.370 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1587563121 XVPQJFXSOLCQSO-DZNWXHPMSA-N 440.588 4.622 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@H](OC)C1 1587712192 OWMNAURTXQFMEB-HNAYVOBHSA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1nc2ccccc2s1 1587777501 HQLYZNKIZSQSEN-UHFFFAOYSA-N 436.610 4.683 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC2(CCC2)C[C@H]1CC 1587813637 SBWMBAOCZFGRQY-QGZVFWFLSA-N 430.394 4.619 30 10 IJEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C)=C(Br)C1 1587841581 BAGWHWFQJYSELH-UHFFFAOYSA-N 438.373 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCCN1CCC[C@H](C)C1 1588189649 PEIHCBHWHYIBKS-NRFANRHFSA-N 438.019 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)c(F)c1 1588284072 LJDXDYSTWBWLTP-UHFFFAOYSA-N 437.313 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCCCC1 1589151156 SQQLLGXKCKSREX-NTKDMRAZSA-N 440.563 4.899 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C(C)C)C1 1589306132 XLMFWLXJDDKJJJ-OAHLLOKOSA-N 441.320 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1589483601 PEBIIGXXYIXCPQ-FPOVZHCZSA-N 427.549 4.706 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCn1cccn1 1589506014 QOAHCGGWZMAWKV-JTHBVZDNSA-N 448.615 4.557 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1594023694 NETIWYNARQUEIO-SIKLNZKXSA-N 438.563 4.691 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@H](CC(C)C)N(C)C)CC1 1594218550 JTZOIKZKHJYNKZ-JOCHJYFZSA-N 432.616 4.872 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2sccc2Br)CC1 1594248229 ZFCHAXCRCYGHNM-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1594472441 DYXJDGPYALPMNE-GHTZIAJQSA-N 434.592 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC(C)(C)[C@@H]1C 1594473245 NXPDUAYFQQUMLO-KRWDZBQOSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)CN1CCCCC1 1594856536 GSKFHOHPVASKRC-SIKLNZKXSA-N 425.621 4.779 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1OCCC1(C)C)C1CC1 1595027028 WGANHOYGDXOCMV-GOSISDBHSA-N 449.368 4.817 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CC1(c2ccccc2C)CCOCC1 1595302884 GCMAHBRNZJJZRI-UHFFFAOYSA-N 440.632 4.562 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1595878031 GOKXLBWTUMSRLS-HXUWFJFHSA-N 434.556 4.711 30 10 IJEE C#CCOCSc1nnc(COc2ccc(Cl)cc2C)n1-c1ccc(OCC)cc1 1613118069 HHXFMQYGYUOUEB-UHFFFAOYSA-N 443.956 4.906 30 10 IJEE COC(=O)c1ccccc1N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 1615948117 NXPFHSKMEHFZJE-UHFFFAOYSA-N 442.924 4.683 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1619486530 BVCVFVLYOSCHTI-PKOBYXMFSA-N 441.988 4.983 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(Br)cc2F)cc1C#N 1623274354 DMWDDQDTXVBXPT-UHFFFAOYSA-N 449.280 4.692 30 10 IJEE C=CCONC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1624259460 MTKHAEJLGOEYHV-DEOSSOPVSA-N 434.536 4.708 30 10 IJEE C=CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 1625605014 HHXYMUHDBUNWQH-UHFFFAOYSA-N 428.460 4.598 30 10 IJEE Cc1cc(C)c(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1Br 1626676756 FUCTXYRROGACRF-FQEVSTJZSA-N 446.776 4.742 30 10 IJEE C#CCOc1ccccc1NC(=O)c1csc(-c2cc(Br)ccc2OC)n1 1634339460 IGXRZGQRXCQZSQ-UHFFFAOYSA-N 443.322 4.846 30 10 IJEE C#CCN(C(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)[C@H]1CCCc2ccccc21 1635885431 VFAKQBWDQOXVAE-DEOSSOPVSA-N 432.564 4.907 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 1637372611 CKQDLVWXMLZWKY-MSOLQXFVSA-N 428.495 4.916 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1644457540 UBRPFGNKOBZZEC-JOCHJYFZSA-N 438.369 4.813 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1c1ccc(F)cc1F 1654555265 ARWBGYOOMXPVHE-KRWDZBQOSA-N 441.297 4.515 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCC[C@H](O)c3ccc(Cl)c(Cl)c3)c2c1 1655371571 IEKSWSGJILHXJP-SFHVURJKSA-N 432.307 4.966 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1 1659035811 BQUQFKOZTHZBHS-RUZDIDTESA-N 427.589 4.950 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1666409849 YBDRDGUVOPAFDR-QFIPXVFZSA-N 441.597 4.560 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)[C@H]1CCCc2ccccc21 1667530482 UNADFOBFAQJKMB-FQEVSTJZSA-N 429.442 4.523 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 1668396598 ZEJNTBXGJXLHLG-XMMPIXPASA-N 436.987 4.964 30 10 IJEE CC1CCC(Oc2cc(CNC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)ccn2)CC1 1670692373 GCVHHVQDIFALAZ-UHFFFAOYSA-N 448.502 4.557 30 10 IJEE C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(N2CCCOC2=O)cc1 1671735535 BCALUHQEUARRCE-ZDUSSCGKSA-N 443.301 4.550 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1 1672064211 VDQRTYVNYLRMKS-KXBFYZLASA-N 426.492 4.629 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)c1ccc(Cl)cc1F 1674035945 HVDUIKWKDNBWMN-VEXUSMLFSA-N 439.962 4.850 30 10 IJEE CC(C)Oc1ccc(CC[C@H](C)NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1675489370 FRLNNZZGLDZBMO-NRFANRHFSA-N 448.611 4.630 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)C1CCN(C)CC1 1680694340 BSOMTCNXHUPBND-QFIPXVFZSA-N 430.379 4.822 30 10 IJEE C#CCN(C(=O)NCc1ccc(C(C)(C)CC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1680836678 GMNLMYLHJGJZJJ-UHFFFAOYSA-N 441.616 4.919 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 1683699040 RREZPIVRSFINGL-UHFFFAOYSA-N 447.624 4.589 30 10 IJEE C#CCOc1ccc(CNC(=O)NC2(c3ccc(Br)cc3)CCCC2)cc1 1686548579 KGKUDBNTVCXRTK-UHFFFAOYSA-N 427.342 4.730 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1687156688 OYJHPRDCYZZSOW-CLOONOSVSA-N 443.588 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1689828192 LVVGJBAPDHZTSZ-ZWOKBUDYSA-N 444.526 4.710 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1689913721 UIEOVCFJWQWXOR-NQIIRXRSSA-N 428.552 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C(C)C 1690241219 QBSNSWCJFHKSLD-GGAORHGYSA-N 431.540 4.806 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690363727 AEPCZOLYSYDZJM-FHWLQOOXSA-N 428.552 4.917 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1690469163 GFQSCXXEDUXVSI-DLBZAZTESA-N 438.498 4.543 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690472910 YTZZUUXRPOVXCH-QZTJIDSGSA-N 440.979 4.765 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1690490302 WBTCBBBCDUIYQZ-NRFANRHFSA-N 435.547 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCn1nc(C)cc1C 1690519193 AAONVTFCGSYEHR-UHFFFAOYSA-N 443.393 4.542 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@H]1C(C)C 1690569005 AXGZSGUSUHIQFQ-GGAORHGYSA-N 435.547 4.733 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1690734258 ZUMQCFRNHNFJHI-PZJWPPBQSA-N 444.645 4.815 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(C3CCC3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 1692850826 BBDHNTRWWQKEBY-NRFANRHFSA-N 433.478 4.665 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@H]1C(C)C 1705503104 PBVWWXHOOLRJMS-BKSPAHHJSA-N 438.616 4.808 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1705515400 CPKBOWWLNPITFQ-OAQYLSRUSA-N 444.526 4.919 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1CC 1705623067 FYUSJQPYYVNNNX-UHFFFAOYSA-N 448.636 4.972 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn2ccsc2n1 1705712243 NAQPKMRWYKDIIU-UHFFFAOYSA-N 442.976 4.767 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1705783515 JXAQDPFAVXSUKT-UHFFFAOYSA-N 444.627 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCOC(C)(C)[C@H]1C 1705785936 BSOCSGOQMIARFE-GOSISDBHSA-N 434.588 4.941 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705815379 UPWJLEULRIKUTB-UHFFFAOYSA-N 435.616 4.839 30 10 IJEE C=CCCCn1c(N(C)Cc2cccc(F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705823865 YADLWVMNGBJESD-PUZFROQSSA-N 443.567 4.791 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1cnn(C)c1 1705837863 RQHQKWKUOFWWCD-UHFFFAOYSA-N 436.560 4.801 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@H](F)C1 1705856817 GXXXJAHLTXFSPU-VXKWHMMOSA-N 435.547 4.603 30 10 IJEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H](C)c1ccccc1 1708738520 ASQDYPQJTGKNQN-UQBPGWFLSA-N 436.604 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCN(C)C1CCCCC1 1722302951 MJDQRQFIEDRPBO-QFIPXVFZSA-N 437.632 4.586 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(CCOCC)CC1 1722392865 NJHDZVMVILHQIX-UHFFFAOYSA-N 445.394 4.922 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)Cc1cccs1 1722392875 VIMONKZNRWJAOX-FQEVSTJZSA-N 439.588 4.897 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1CC 1722422792 QQLHDWALIIGMAN-PKTZIBPZSA-N 431.559 4.869 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCSCC(F)(F)F 1722469873 MSYNCFUIRXYAPP-GOSISDBHSA-N 428.911 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(CC)Cc1ccccc1C 1722510163 QGFLVMZJGXTISI-RDGATRHJSA-N 431.584 4.580 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1cc(Br)cs1 1722524400 KBXJWQPGOWUAHH-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C2CCOCC2)C1 1722611716 AOBYRZGEITZVIZ-SFHVURJKSA-N 430.980 4.826 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C 1723761769 FWRWOTUPNHDXNO-YLJYHZDGSA-N 446.580 4.972 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740567133 HHGPUONOQZOAMZ-PMACEKPBSA-N 443.389 4.659 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCc1ncc(CC)s1 1740648196 DKWVEXZGDGEBKJ-JOCHJYFZSA-N 431.609 4.545 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCc1nc(C(C)(C)C)cs1 1740730771 HUSZTGQYXGCQMS-UZUQRXQVSA-N 427.618 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](CC(C)C)C1 1740759470 JJJTVDDBKNPAET-HOKHCIIBSA-N 438.616 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1740844962 ZHTDWXQBAPPGEW-HXUWFJFHSA-N 449.599 4.646 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H](OC)C1 1740859232 IIRPKPWNMOKMJT-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(C)C)C1 1740871936 TZQFHTRTOAKXQR-GOSISDBHSA-N 437.357 4.674 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(N(C)C)CCCC1)C1CC1 1740905764 HCWRVFKYRAXPSO-GOSISDBHSA-N 427.568 4.586 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(O)(CC)CC 1740919765 QWHBJPJTGCZJAY-FGZHOGPDSA-N 440.632 4.940 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C(C)C)C1 1740937721 NCQNVKWBLVJGFH-NRFANRHFSA-N 427.637 4.815 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(-c2cccn2C)nnc1N1CCC(CC#N)CC1 1742100193 HGXGVOWFDKUFHV-UHFFFAOYSA-N 442.489 4.789 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCC1 1745642734 HRLGQOXJZVOMII-UHFFFAOYSA-N 435.597 4.642 30 10 IJEE CCOC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1746600931 HCZGIPPEBKOPGY-VWLOTQADSA-N 432.572 4.747 30 10 IJEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1747862700 HOSSQYOZADASRU-WDSOQIARSA-N 433.478 4.583 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2cnn(C)c2)CC1 1748737178 YPOSGFWZGPDMFR-NRFANRHFSA-N 446.599 4.566 30 10 IJEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](C(C)C)C1 1749091747 GCGVSRRJZIYWRH-KRWDZBQOSA-N 426.362 4.884 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749169125 PFCNQYOABBNHRK-UHFFFAOYSA-N 433.556 4.905 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1749209404 WYZBJAAUUYUSIY-YTFSRNRJSA-N 443.680 4.865 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1749342062 VBDAXVGVUINROO-DENIHFKCSA-N 444.023 4.531 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCOCC2(CCC2)C1 1749414297 AVCIBRIIJXYFHO-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N(C)Cc1cccc(Br)c1 1749456970 CIGFVYPXQHXJBE-UHFFFAOYSA-N 435.410 4.858 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CC1([S@@](C)=O)CCC1 1749551391 YUIPPCRVGUNBBD-SSEXGKCCSA-N 444.601 4.640 30 10 IJEE CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1750686843 CTGBPGXWSMBYIW-AZUAARDMSA-N 447.505 4.657 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC1(CC(C)C)CC1 1760196786 YIHWJRCWBRZCHI-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1760300579 HZNQRDHXYRPRPF-TXPKVOOTSA-N 447.377 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1760414470 RZEWNKYBPOXRCZ-JOCHJYFZSA-N 435.547 4.583 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(F)(F)F 1760430939 YZBQGBLSHDQIGE-HNNXBMFYSA-N 431.503 4.705 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760435350 GQWOJOXLTWOZNY-OAQYLSRUSA-N 425.596 4.999 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1760452290 KMLUEPQEMYUZAQ-GCJKJVERSA-N 437.613 4.609 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCN(CCC)C(=O)OC(C)(C)C 1760457871 KHSSGRYPTHVFMZ-UHFFFAOYSA-N 439.560 4.961 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1ccc(C(=O)O)cc1 1772763125 VCJCGLXDWKFEGH-OYBLBNEUSA-N 443.322 4.937 30 10 IJEE CCCCCCCCCCn1cc(O[C@H](C(=O)OC)c2ccccc2)c(=O)cc1C(=O)O 1857890891 IEXKWMXRSLYFMV-QHCPKHFHSA-N 443.540 4.980 30 10 IJEE CCCN(CCC(=O)O)C(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12 1858954868 UHGXEVARQBVNEL-UHFFFAOYSA-N 445.475 4.649 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862430754 QYSDGJYLUCHDSA-IBGZPJMESA-N 425.893 4.886 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Cl 1862432967 QYLBFRVGWDVAIV-LJQANCHMSA-N 433.335 4.523 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862447980 CBNYAIZQUUZDCX-IBGZPJMESA-N 428.872 4.873 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862558891 BZVBTYBTIILSMA-OAQYLSRUSA-N 434.517 4.508 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 1862677448 DVSORILTWNKCJE-HSZRJFAPSA-N 433.479 4.982 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3c(O)cccc23)=C(c2ccc(F)cc2)C1=O 1862776752 DMQSEEWGXKLOPJ-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1 1862922863 ZOZALEDQBGWLIC-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1863315711 SGHWQOABOTZSQA-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)c1c2c(nc3ccc(Cl)cc13)CCC2 1866282862 LNNHJSWTNIJQPH-UHFFFAOYSA-N 431.858 4.826 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866732781 HPFCIBGULJCWIA-DHIUTWEWSA-N 437.609 4.873 30 10 IJEE CC(C)(NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1866755980 IFXOEWLXHOTDQB-UHFFFAOYSA-N 447.485 4.892 30 10 IJEE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 1866817343 CZSIWBSBDFLKFI-YLJZTEMXSA-N 443.934 4.981 30 10 IJEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C(C)C)cc(C(C)C)c1 1869928730 ZGACDITWWADDBG-OAQYLSRUSA-N 441.597 4.779 30 10 IJEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CSc1nc2ccccc2n1CCC 1870293485 YPXKMPKCPBCNSW-UHFFFAOYSA-N 441.597 4.890 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCCCCC1 1870527986 KUQRILDPHJRAMP-JOCHJYFZSA-N 447.664 4.878 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN(CC)CCO 1870608440 GZAYEMNFJFJLHG-UHFFFAOYSA-N 444.616 4.611 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccc(C)cc2C)cc1=O 1870838848 XCPRLKWAFKJMGY-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(OC)cc4)ccc3C2=O)cc1 1871457315 ZTPXLQBXVYHKBF-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871460838 HOWMAAKHPPVJPB-MSXFZWOLSA-N 448.519 4.533 30 10 IJEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(OC)c1 1872763728 SNUXTABAWKOJOP-OPUMOTSWSA-N 435.461 4.625 30 10 IJEE CC(C)Oc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773936 BWGDVAMXQFIACJ-LJQANCHMSA-N 434.517 4.787 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203166 CCCABWOQORSVFP-UHFFFAOYSA-N 448.320 4.618 30 10 IJEE COc1cccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1873209672 LYMVANDUDXGZIX-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N(CC)CCc3ccncc3)ncnc2n1C 1873566300 LYKUXQOEZUTWGT-UHFFFAOYSA-N 436.604 4.523 30 10 IJEE COc1ccc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SC)c(OC)c1 1874224837 FFQSCBYDDFELNN-BUVRLJJBSA-N 440.569 4.528 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(O)cc1O 1874259053 LPMVIAVWRLQXHQ-OEAKJJBVSA-N 426.542 4.605 30 10 IJEE C=C(C)CSc1nnc(CCOc2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874346130 AFNKCYKMFUSETL-MFKUBSTISA-N 431.565 4.942 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874403704 NTAWGLGJUGJURG-FSJBWODESA-N 449.363 4.517 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1 1874417942 XDVCBZUHOSKBQD-YZSQISJMSA-N 441.560 4.790 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2sccc2C)o1 1874438421 VOQLGDWWPUPPDX-SRZZPIQSSA-N 432.571 4.791 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccnc2)c1 1874453020 ZRPGMHZSDMAABD-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1cccs1 1874488242 RSLVZUSCFSOVJN-WSDLNYQXSA-N 427.599 4.768 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)NCc1ccco1 1874580854 JBTHUGCWLGAUDM-SOFGYWHQSA-N 439.895 4.841 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)NCc1ccco1 1874608167 ZQEPLFAUQDIWLC-LFYBBSHMSA-N 440.293 4.633 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(OC)cc2)CSc2nnc(CCOC)n21 1874902956 JWHXDWUYCLLOBK-HXUWFJFHSA-N 446.617 4.538 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1 1875102452 IEEPPLVNSOQZLM-JXMROGBWSA-N 448.387 4.627 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C(C)C 1875146066 CHPAIYYHSCUVHE-FNORWQNLSA-N 430.884 4.967 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)c(Br)c1)Cc1ccccc1 1885610118 ILPPCEIUKQPPTH-UHFFFAOYSA-N 444.329 4.697 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C#N)cc1 1892130655 CLDGAYIUYIZYRI-GOTSBHOMSA-N 435.593 4.888 30 10 IJEE C=CCC1(NCc2ccc(OC)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924550381 CSYJFAWXSCHQNX-UHFFFAOYSA-N 439.394 4.893 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cccc1Br 1931397919 NQUBJYHATAKLFW-ZDUSSCGKSA-N 428.124 4.647 30 10 IJEE N#CCCCNc1cc(Br)c(I)c(Br)c1 1931651204 WHIALHLKMMHICY-UHFFFAOYSA-N 443.908 4.532 30 10 IJEE C=CCN(C[C@@H](NC)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1937849529 INOXCQCCJMGYFQ-CQSZACIVSA-N 448.199 4.895 30 10 IJEE CC(C)(c1ccc(C#N)s1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952577899 ZMTSDFRUVSSIEF-JOCHJYFZSA-N 446.528 4.889 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3cccc(Br)c3Cl)CC2)OC1(C)C 1963796546 JDGOIZUJDSASGD-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE N#Cc1c(F)cc(Br)cc1N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1999971447 CDJWSQPKYNQISY-INIZCTEOSA-N 432.293 4.673 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)c(C)c1 2079070683 JQBFEALANSWUGW-RNDVCUHJSA-N 425.314 4.819 30 10 IJEE CC[C@@H](c1ccc(C)cc1F)n1nc(C(F)(F)F)c(C#N)c1I 2079128046 YHKDNJYBLMUNBW-LBPRGKRZSA-N 437.178 4.825 30 10 IJEE CC[C@@H](c1ccc(OC)cc1F)n1nc(C2CCC2)c(C#N)c1I 2080062970 WNPGRMBSFARAAD-INIZCTEOSA-N 439.272 4.774 30 10 IJEE N#Cc1c(C2CCC2)nn2c(N)cc(-c3ccc(C(F)(F)F)cc3Br)nc12 2081431546 XQGSXYHTFKGHGX-UHFFFAOYSA-N 436.235 4.899 30 10 IJEE C=C1CCC(C[C@@H](NN)c2ccc(Br)cc2I)CC1 2142290133 YMAGZFURNPPBPL-OAHLLOKOSA-N 435.147 4.695 30 10 IJEE CC(C)Cn1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)nn1 2149352362 BVFSAUDCRUJJRC-KRWDZBQOSA-N 434.338 4.703 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)C3CC4(CC(OCc5ccccc5)C4)C3)cc2)OC1(C)C 2160283746 IZWMEFQRGNOKKR-UHFFFAOYSA-N 447.384 4.700 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(Br)cc1C#N 2174569226 XHVFUCKFSCVWBZ-OALUTQOASA-N 434.378 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C)C(=O)Nc1ccc(C#N)c(Br)c1 2181045750 NPOMFCKVOQFPBN-OXJNMPFZSA-N 436.350 4.733 30 10 IJEE O[C@@H](C#Cc1ccccc1Br)c1ccc(I)c(Cl)c1 2227478834 AKDGKTAVAJQXGE-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2235720907 CYMIIWPEADZFGR-CMKODMSKSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(N)C#Cc2ccccc2Br)C1 2235724136 FYTQZZXEIUOQAO-NJNPRVFISA-N 433.390 4.555 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC1(CNC(=O)OC(C)(C)C)CCC1 2235730913 PJWWVMZTVQXVGV-GOSISDBHSA-N 435.406 4.864 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CCCCCNC(=O)OCc1ccccc1 2264171192 BCPMUEKJNRAPDS-JOCHJYFZSA-N 443.385 4.875 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2266061839 QOCWTIDOTPVSTO-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE Cc1cc(Cl)c(Br)cc1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280759795 VUCJEFYWLJPSJM-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2289683111 AVKAPZXRVZDZTC-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296221063 FJQSBIYBEWABDD-RTBURBONSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](O)C#Cc3cccc(Br)c3)CCCC[C@@H]12 2296231638 GMOXIEMBSWBGGI-WOIUINJBSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](N)C#Cc3cccc(Br)c3)CCC[C@H]12 2296270969 CANFKWZKROYZOQ-IPJJNNNSSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](N)C#Cc1ccc(Br)cc1 2296303539 XLSDKEKAJMICLM-PMACEKPBSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CCC1CCN(C(=O)OC(C)(C)C)CC1 2296306757 LMOUBYHFEFYBRQ-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE C=CCOc1c(Br)cc(C=C2N=C(c3ccc(F)cc3)OC2=O)cc1OC 2297327930 YAVOWLNTQYCDFK-UHFFFAOYSA-N 432.245 4.506 30 10 IJEE C=CCc1ccc(OCCOc2ccccc2C=C2SC(=S)N(C)C2=O)c(OC)c1 2297335328 DJVFQZGZQDYJSV-UHFFFAOYSA-N 441.574 4.713 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 2306619059 YVHKCUHIRBCXOX-NLFFAJNJSA-N 430.589 4.993 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 2314429493 ILDBOCWUUQFEGU-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)CCOCC1 2318701157 SJFFVSGHMXQRER-SFHVURJKSA-N 449.523 4.533 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C)n1N=Cc1ccc(Cl)c(Cl)c1 2321178273 GFLCUCXJHGTHSD-UHFFFAOYSA-N 428.389 4.516 30 10 IJEE Cn1c(C=Nn2c(SCc3ccc(Cl)cc3Cl)nncc2=O)cc2ccccc21 2321647200 WLQOOLOAKHEQGP-UHFFFAOYSA-N 444.347 4.611 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O3)CN(CCN(C)C)CO2 2322037232 MUAXPXZCCADDNR-UHFFFAOYSA-N 433.335 4.632 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CCc2ccccc2Cl)ccc1OC(C)C 2322119811 FFAWIGPHMUZOKC-UHFFFAOYSA-N 430.961 4.683 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 2322371792 KGKQBGGLMGQFSW-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)OCC(C)C)cc1 2322612721 IIDWTAKLWGGDKF-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE O=C(Cc1ccccc1)Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2322884336 KBXRQMFUYAYVPG-UHFFFAOYSA-N 448.858 4.971 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cccc(OCC(=O)NCc3ccccc3)c2)cc1C 2323317808 AFFBBRQHCWGHKM-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)ccc1OC(C)C 2323352395 TXZJBQRKICONOE-UHFFFAOYSA-N 432.586 4.791 30 10 IJEE Cc1cc(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323435580 OJWOVHWUCYBCTK-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)cc1OC 2323972094 NATJSBIRLOEVCD-UHFFFAOYSA-N 436.485 4.920 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)NCc1ccco1 2324197047 IGUUWAJFQWXWDY-UHFFFAOYSA-N 449.478 4.747 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2325235268 GZAFDRDUONHJEJ-UHFFFAOYSA-N 431.444 4.733 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)C(=O)Nc1ccc(C#N)cc1 2325301693 FULQSOATMSVHTP-HNNXBMFYSA-N 428.419 4.720 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325675159 HMCNXAAUMFKSPC-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)cc1 2325723269 MJAURMGVOQWWLV-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4)cc(C)c3C2=O)c1 2325727051 JCBGIMJORUMHKO-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCC(=O)OCC(C)C)cc1 2330210331 NLRGAQIZMFJZKF-UHFFFAOYSA-N 436.581 4.545 30 10 IJEE C(=Nn1c(SCc2ccccc2)nnc1-c1cccs1)c1ccc2c(c1)OCCO2 2330580152 DOJMEPIHYFUGFQ-UHFFFAOYSA-N 434.546 4.952 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2Cl)cc1 2330935647 VPBIETPHKNAXHV-GOSISDBHSA-N 443.916 4.866 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccncc2)c(C)c1 2331100618 ICUOBLXQBOOGTE-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)ccc1OC 2339197426 VRKWNFKUALEYDV-AEFFLSMTSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2339574881 OMWITFVQINNKTJ-JEAMOKKESA-N 442.365 4.505 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 2360197619 QWLLJGGZDLBRBU-OTWHNJEPSA-N 435.406 4.718 30 10 IJEE Cc1cc(CNc2cc(Cl)ncc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369695834 BNCPTCMOJNJWGG-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE COC(=O)N1CCc2c(sc(NC(=O)c3cccc(Oc4ccccc4)c3)c2C#N)C1 9446742 LPHSVAJWYFSRIP-UHFFFAOYSA-N 433.489 4.789 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 18975816 FTCOYMBURFQTDT-UHFFFAOYSA-N 438.572 4.976 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 41289998 HIPBOBADSJIPQL-MTJSOVHGSA-N 434.419 4.987 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(Cc2ccc(F)cc2)CO1 41655276 DEGDETRPYJMJKC-JJFYIABZSA-N 432.407 4.702 30 10 IJEE C=CCOc1cccc(NCC(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1 66064698 WJSNDYBCRVZSNN-LJQANCHMSA-N 429.520 4.793 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cc(Cl)c(O)c(OCC)c2)C1=O 103771487 FYWTZAPCAWNYAE-SFQUDFHCSA-N 445.924 4.988 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccn2)cc1 169995029 DNDYZJSBVFLCRF-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccnc2)c1 170009911 VJAVWHALVBXYST-NRFANRHFSA-N 434.879 4.840 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccc(O)c2)cc1 170081696 FMRMHZJTOACYRF-HSZRJFAPSA-N 435.439 4.528 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccc(O)c1 170082406 JRKZYWFFAVUPEL-QHCPKHFHSA-N 435.426 4.772 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1C 170083207 WYPVBLCYKASDQR-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccccc1OC 170125212 DPEVXBKZFVWHSG-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170150234 AKSNCPKBUHUQDA-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)c1 170184181 ZVTJOUOIDCNNKJ-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)c1 170206343 XZHMBOYJNXSKSP-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccncc1 170211075 ZPUNBZRGIZGKSG-GOSISDBHSA-N 429.314 4.613 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccc(OCCC)cc1 170215457 MZXRJXQGLWSOTB-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2F)s1 170248037 XBLKVOXORIYHOK-GOSISDBHSA-N 426.444 4.821 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)c1 170259263 RWYXBCYKPNYQMP-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC(C)=O)cc2)cc1 170406920 FXSCRCPTNKMWSE-DEOSSOPVSA-N 441.483 4.957 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 250354810 MTMNOVHODMEYGC-UMFSSWHCSA-N 449.620 4.942 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(C(F)(F)F)cc1 462079561 GBVRPQQUXOTFTQ-IBGZPJMESA-N 440.429 4.987 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 473775684 LFWXYFBIPLCVLD-UHFFFAOYSA-N 435.549 4.987 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 476120708 LLLVPJFUTSBYQA-GOSISDBHSA-N 443.613 4.550 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc(F)cc2CSC)nnc1-c1ccco1 481884848 PLBPNHKLMOADTP-UHFFFAOYSA-N 446.573 4.525 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccc(Cl)s2)n1)c1nc(C(=O)OCC)cs1 501914825 MSUONMSSXVOUIT-UHFFFAOYSA-N 439.971 4.991 30 10 IJEE N#CC1CCC(CNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC1 508362480 QRUUHWUGJBNSHI-UHFFFAOYSA-N 438.368 4.629 30 10 IJEE C=CCN(C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nc(C(=O)OCC)cs1 520324841 PGNTWDZJUCJZPW-UHFFFAOYSA-N 433.942 4.930 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)c(OC)c2)c1 526515559 JSOWHVHYZFWXGW-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(=O)N(CC)CC)CC1 549678789 LGZPTOVTGJUYSQ-UHFFFAOYSA-N 441.645 4.540 30 10 IJEE Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609255694 IUKKFOGCSHBZSO-UHFFFAOYSA-N 425.529 4.686 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC1 615071693 HXFLKNSBRVVFTB-HWELCPFYSA-N 443.551 4.714 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NC 701299886 PFMISWYHVBHBRF-CABCVRRESA-N 433.337 4.717 30 10 IJEE CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCc1cc(Cl)ccc1OCC#N 735336845 IFRISUMMYYZVJJ-UHFFFAOYSA-N 448.906 4.872 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cccc(Nc2ccc(C)nn2)c1 737317264 VXGXNUBVAUKPEZ-NRFANRHFSA-N 427.508 4.615 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCc3cc(F)ccc3[C@H]2C)cc1OC 737965238 QHRYYQVUBSILRP-QGZVFWFLSA-N 428.504 4.510 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)c2nc3ccccc3o2)cc1C 746649716 OGDDUIZYDQROJB-SFHVURJKSA-N 427.508 4.755 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)NCc3ccc(COCc4ccccc4)cc3)CCO2)c1 761659007 FIPHPHPYVZMTRX-SANMLTNESA-N 441.531 4.558 30 10 IJEE C=CCN(C(=O)[C@H](C)Sc1nc2ccccc2s1)c1nc(C(=O)OCC)cs1 762507958 FMAIOLQBLTZDNW-LBPRGKRZSA-N 433.580 4.629 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@H](c3cccs3)C2)c1=S 765072285 DQKPNOWSAIUEGE-IBGZPJMESA-N 442.610 4.580 30 10 IJEE Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=NN[C@H](CO)c1ccccc1 788455306 LBCWCBFXADLNKP-XMMPIXPASA-N 430.483 4.769 30 10 IJEE C=CC[C@]1(C(=O)N2CC(c3nc4ccccc4s3)C2)CCCN1C(=O)OC(C)(C)C 790764684 BNYOSJLINOOSIE-HSZRJFAPSA-N 427.570 4.568 30 10 IJEE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNc1c(F)c(F)c(F)c(F)c1F 1084244739 GAMOAPXXUUVQCE-UHFFFAOYSA-N 425.317 4.539 30 10 IJEE Oc1ccc(Br)cc1C=NNc1nc(SCc2ccc(Cl)cc2)n[nH]1 1084622156 YGQMPBCDAMBDCC-UHFFFAOYSA-N 438.738 4.665 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(Br)cc(C(F)(F)F)c1 1124510486 MLQBAJHNNROTBH-UHFFFAOYSA-N 427.220 4.636 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C\c2ccc3[nH]ccc3c2)c(C(=O)OCC)c1C 1124821004 MRJYRLVLWVBSRS-CLFYSBASSA-N 438.505 4.709 30 10 IJEE CCCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CCCN(Cc2ccccc2)C1 1125682038 FKMJJHVAFPJEHX-QHCPKHFHSA-N 428.536 4.730 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1126236597 YISSIAKEISIDSM-JBACZVJFSA-N 428.573 4.826 30 10 IJEE N#Cc1c(F)cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1F 1136525293 DHESKEJDKIFXOL-CYBMUJFWSA-N 428.826 4.560 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1c(CC)nc2ccccc21 1136557457 DMESCQRPYSNSTC-UHFFFAOYSA-N 430.321 4.715 30 10 IJEE C#C[C@H](NC(=O)CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1)c1ccc(Cl)cc1 1141799539 LWUCNNUVKUCGIB-QHCPKHFHSA-N 437.971 4.786 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)cc1 1153850805 BLFZHLAKFDWAOD-UHFFFAOYSA-N 429.863 4.779 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)CC1 1154091947 IUJJXXMCQJDNLL-RZDIXWSQSA-N 448.947 4.510 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)cc21 1179488444 DLYSLBJSCXAFMN-JOCHJYFZSA-N 432.524 4.695 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)cc1OC 1183663627 YVOMVLOBMHHYIA-GOSISDBHSA-N 443.849 4.936 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 1184363924 HQAWUIPCYYCTLV-UHFFFAOYSA-N 438.996 4.992 30 10 IJEE C=CCOc1c(Br)cc(CNCc2c(C)nc3ccccn23)cc1OCC 1203975693 FLCIQLVXOGNALU-UHFFFAOYSA-N 430.346 4.659 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)cc1 1215273919 VYMZNKREFJVSIB-UHFFFAOYSA-N 449.551 4.916 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)cc2n1 1220157756 UUYNMBUOMZZVJV-KRWDZBQOSA-N 429.446 4.642 30 10 IJEE C#CCN(C(=O)Nc1cnc(F)c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1220164938 AXTXHIDAHCTZMM-HNNXBMFYSA-N 438.684 4.628 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCOCC1 1220684733 ZPUJLAAWHZWVIM-OFNKIYASSA-N 435.955 4.681 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)ccc1OC 1221923605 GTCSDFBWAOXLBR-PKOBYXMFSA-N 441.503 4.617 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1229989402 ISRIRFGNQTVSFM-NRFANRHFSA-N 427.589 4.606 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286356869 OCWSVRFHXGBAKF-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1 1286357185 HGOKWBHLJGVAJA-UHFFFAOYSA-N 436.503 4.691 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCSC1(C)C 1286461169 VYLYUIBDMICXDP-NRFANRHFSA-N 440.657 4.860 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1cccnc1)C(C)C 1286464093 ZWFVYXBUGBEIBE-QFIPXVFZSA-N 437.975 4.519 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCC(C)C 1286555731 YPNIMBGCJAFRQN-NZQKXSOJSA-N 434.588 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCSCC(F)(F)F 1286566119 KZRMMZJKBOHUJF-UHFFFAOYSA-N 429.468 4.551 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1CC2(CCOCC2)C1 1286583692 PGRWSZIIQCRPGO-UHFFFAOYSA-N 438.616 4.681 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 1286592932 CJHGFNGSRZYDID-QGZVFWFLSA-N 431.606 4.667 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@H](OC)C1 1286631866 ZVTFPRYSMDZSPW-SFHVURJKSA-N 439.387 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C(C)=O)CC1 1286675635 ASZBNSURSWPYBO-UHFFFAOYSA-N 441.645 4.540 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286685069 RMDVBVFKDZRVJN-UHFFFAOYSA-N 440.592 4.840 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286696663 MKMBLLULOOSPMI-DLBZAZTESA-N 432.410 4.593 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCOc1ncccc1Cl 1286713333 DQLZXAOFYMKSMU-OAHLLOKOSA-N 448.354 4.821 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@@H]1C)C1CC1 1286731949 HEISAAJJXNNZCR-ROUUACIJSA-N 429.996 4.711 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@@H]1C 1286743290 DGGZMIANXHWETJ-YJBOKZPZSA-N 426.362 4.820 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286746273 ULSHDBDCCZGTEO-HXUWFJFHSA-N 435.538 4.553 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1CC(=O)Nc1c(C)cccc1C 1286764739 ZABDVXRLSJPHFB-UHFFFAOYSA-N 433.556 4.629 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286769991 JBCMNKZSXDPUMP-HNNXBMFYSA-N 444.004 4.692 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286771568 YIOZGPCPZHGJHZ-QZTJIDSGSA-N 449.393 4.542 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](n3nc(C)cc3C)C2)nnc1C(C)(C)C 1286799580 XNLSPCYNYYJPAL-QFIPXVFZSA-N 448.615 4.844 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)C1 1286814319 PPNZRPVUTVIFOQ-MOPGFXCFSA-N 447.624 4.568 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1286830979 XQCNMUPUBGLNOJ-VXKWHMMOSA-N 439.673 4.955 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3sc(-c4ccc(OC)c(OC)c4)nc3C)cc2n1 1289214575 CJNUKYQCAMXFKL-UHFFFAOYSA-N 434.521 4.924 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCC1(O)CCC1 1289275340 AQVHKMXYKBUCHU-QZTJIDSGSA-N 445.995 4.732 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOCC)CCCC1 1300289267 HOCBCEHFNSAFER-FQEVSTJZSA-N 431.584 4.938 30 10 IJEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1300358223 NCMQDCIBZLCKEH-UHFFFAOYSA-N 427.556 4.780 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C)CC1 1300740796 DKBKXWSFYROAIF-UHFFFAOYSA-N 437.638 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccccc1Br 1300789178 AXCDCLOXOGWWCB-OAQYLSRUSA-N 425.330 4.649 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1300973174 TXFVEBUZHMRMDU-GOSISDBHSA-N 428.552 4.623 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1cccs1 1300981299 XLIHIDPRMOYTEP-QGZVFWFLSA-N 429.977 4.989 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)CN2CCCC2)CC1 1301065967 LFYIAABVTZZUKR-OFNKIYASSA-N 437.632 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1301151098 ISEPJSIZOFTOEP-UHFFFAOYSA-N 429.653 4.698 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 1301188595 LFVLVGNSJWJRGE-IBGZPJMESA-N 447.624 4.569 30 10 IJEE Cc1ccsc1CCn1c(C(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1304065029 BJEFOINDLGVMHR-UHFFFAOYSA-N 448.640 4.598 30 10 IJEE CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)Oc1cccc(F)c1 1305832708 ANORAGJWPYJLAO-FQEVSTJZSA-N 427.568 4.993 30 10 IJEE C=CCn1c(SCO[C@@H]2CCCOC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1307236787 MTRKIPZYBSDHPJ-QGZVFWFLSA-N 428.579 4.865 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(O)(Cc4ccccc4F)CC3)c2)s1 1322212545 BRAOIEBXXOOQAX-UHFFFAOYSA-N 449.551 4.705 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CCCc3ccccc3)c3ccccc3)cc2C1=O 1352615400 NSPCSTPKHKHKKM-VWLOTQADSA-N 438.527 4.963 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)cc2c1OCCO2 1352662585 ZHBRDWQVYYSGIE-UHFFFAOYSA-N 428.735 4.764 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c(OC)c1 1353729511 OFCNWHIYVDHVGF-UHFFFAOYSA-N 446.334 4.993 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 1353818057 NBZYIRLVXQNMNL-UHFFFAOYSA-N 436.460 4.616 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCCc3sccc32)c(C(=O)OCC)c1C 1357817581 OUPYJKXZTCXIBI-AWEZNQCLSA-N 433.551 4.696 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C/c1ccccc1 1358887748 BLAWEOWLDWQIGE-XSEUQROVSA-N 449.599 4.564 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCCOC1CCCCC1 1358970710 VRNDZALYQRZILM-UHFFFAOYSA-N 430.596 4.560 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)CC1CCOCC1 1359123367 CLPQEACPDZPVTI-UHFFFAOYSA-N 432.996 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCSC)CC1 1359162062 BUFGNROWOXKRRW-UHFFFAOYSA-N 437.407 4.626 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2cc(COC(C)(C)C)on2)CC1 1359167474 HKWKOVSYFHGJAF-UHFFFAOYSA-N 449.599 4.961 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1359182209 WYZKMIQXCHFDTQ-LEWJYISDSA-N 426.630 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1359185139 MIKRKVIPRNTVNU-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CCSC 1359185727 GZVJHMLQXPPHBH-KRWDZBQOSA-N 430.618 4.896 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359198227 LMTHBHRNJBSIEI-DYXWJJEUSA-N 427.568 4.586 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1359204804 BOWWJWYHALKCGW-VQTJNVASSA-N 431.625 4.717 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCO[C@H]1CCCC[C@@H]1C)C1CC1 1359247873 RUVXCDGZGWJVLT-UWJYYQICSA-N 425.533 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)CC 1359264710 NCYMYSKNXPDSIN-PWHSHALESA-N 432.634 4.612 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCSCc2ccccc2F)C1 1359322328 TWQXKKRDFMPDGK-IBGZPJMESA-N 432.609 4.721 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1359343979 HOYUJROFWZLSNK-UHFFFAOYSA-N 436.572 4.722 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1435949780 ADSMZMRNGBQHAK-UWJYYQICSA-N 426.479 4.795 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)OCC 1438404680 QOBRIXIRZONVPU-OAHLLOKOSA-N 446.878 4.562 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1CCC(=O)OC(C)(C)C 1460275852 DAMRQYRFHUIEQD-MOPGFXCFSA-N 445.629 4.996 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C/C1CC1 1468313713 QMSDIUIJTGJWJN-NJFIGMEYSA-N 430.548 4.942 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 1468936775 GBTBNEJNVYJEND-AFMDSPMNSA-N 434.399 4.641 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)c1ccc(Br)cc1 1470663468 OHUPPDTZOXNMNA-LEWJYISDSA-N 427.342 4.514 30 10 IJEE C=CC1(CC(=O)NCc2cc(Br)cc(Br)c2N)CCCCC1 1471956651 LOIZOWCMPGKBCB-UHFFFAOYSA-N 430.184 4.937 30 10 IJEE C=CCCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1474832499 SEHYAKQMBTUXOZ-SFHVURJKSA-N 445.437 4.650 30 10 IJEE C=CCCC[C@@H](C)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 1475133750 MDVBEMWVHIYBIK-IEZKXTBUSA-N 426.626 4.627 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 1475321865 RLPPBXDJTKTTBH-UHFFFAOYSA-N 430.517 4.849 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 1478284554 JVKADAKMGHEVNI-SKBVVQJISA-N 433.596 4.694 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 1478752094 AMPZAQXIPAKNSD-LJQANCHMSA-N 436.394 4.548 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1)c1ccc(Cl)cc1 1478757474 UVENDLYOUQBWGQ-QHCPKHFHSA-N 432.907 4.871 30 10 IJEE C=CCCC[C@@H](NC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1)c1ccccc1 1479190812 NTBKGBSGTMEZKQ-OAQYLSRUSA-N 445.604 4.799 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CC(C)(C)c1cccs1 1503461494 CPPYMDQKMKBGAF-UHFFFAOYSA-N 428.565 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[C@@H]1C 1507521805 QJKQRIMIMSTLTB-HRCADAONSA-N 431.378 4.610 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCCC1 1507591685 MWBRULIYIHMVBG-OAQYLSRUSA-N 443.636 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C2CC2)cs1 1507680897 KRQVKQGDPNAGBZ-UHFFFAOYSA-N 442.386 4.549 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCCN1CCC 1507699024 ZAKZHSSJXBKCCO-OAQYLSRUSA-N 425.646 4.603 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(CC)[C@H](C)C1CCC1 1507790410 IVIKJCYUCYDUDL-MRXNPFEDSA-N 449.393 4.789 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@](C)(O)c2ccco2)CC1 1507878534 BJQCDFCJVABPKU-CPJSRVTESA-N 436.556 4.692 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1507960249 QWSDMRZYTPUFPD-HZPDHXFCSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1 1508002329 DXQVUUPJOFAMHF-SFTDATJTSA-N 431.584 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)NC(C)C 1508015388 UJMGZAVJUDGMHQ-UHFFFAOYSA-N 444.004 4.906 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1508019936 KHXANAHZBYQZHU-JYFHCDHNSA-N 443.595 4.919 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCc2ccc(Br)cc2)C1 1508123351 MGKXEKAIFZMLST-HXUWFJFHSA-N 445.405 4.722 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1511929190 FUVQNLPTRKFFAT-KRWDZBQOSA-N 432.572 4.927 30 10 IJEE CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H]2C)on1 1513304156 IFRNQBYTEBYPAG-QZTJIDSGSA-N 448.571 4.903 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 1518637432 QCDSFQGGQHNWHX-UHFFFAOYSA-N 434.467 4.581 30 10 IJEE CCN1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)(C(F)(F)F)CC1 1526645160 AXNDZQMRFQWTLX-UHFFFAOYSA-N 431.458 4.806 30 10 IJEE N#Cc1cccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)c1Br 1529123761 FLUICGZIIFMOFX-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE Cc1ccc(NC(=O)CSCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc1 1529353492 DGXXZXZNERZMBC-MRXNPFEDSA-N 449.498 4.626 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc(Br)nc1C 1529486167 VZIAWQPBQSQASH-UHFFFAOYSA-N 448.155 4.944 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)cc1OC 1530321604 BIEZSKYZJCYOJV-UXBLZVDNSA-N 425.435 4.684 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(OCc4cccc(C)c4)c3)cc2C1=O 1532166353 KLMSXKCDNNLXCM-UHFFFAOYSA-N 426.472 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC(C(C)(C)C)C1 1539012125 IWRRZELWUCTPBE-ZMTPEHOPSA-N 443.636 4.848 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1539052146 NFVPMMCIKBJIRQ-AZUAARDMSA-N 443.389 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC(F)(F)C1 1539296093 KZWXBTYFLCKVAG-LEWJYISDSA-N 440.538 4.933 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCCOC 1539300672 WSYAHCAWWXWZIJ-UHFFFAOYSA-N 426.973 4.703 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(C)Cc1cccc(OC(F)F)c1 1539574439 KDUFSQJKWGHRAD-GFCCVEGCSA-N 429.309 4.938 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CCCC 1539618845 BADMSIWNGSZVBI-REWPJTCUSA-N 434.588 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(C)c1 1539632383 RCEOVEBFKBRLHL-REWPJTCUSA-N 426.605 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccnc(OCC(F)(F)F)c1 1539655477 MPDIWPDUQXBPRN-UHFFFAOYSA-N 435.450 4.633 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1539786767 ZZKHXAYOTDFJRY-MLGOLLRUSA-N 433.170 4.766 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1539824235 QAOFTTGMICRIIL-GPINWOSQSA-N 447.838 4.969 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1539828037 CXQKDSSCGGUFSF-HXOBKFHXSA-N 442.560 4.683 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2cccnc2)CC1 1539836366 QGMGHGREIVJHCD-UHFFFAOYSA-N 438.373 4.810 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1539985310 IPXNLCQQSFMXQX-HXUWFJFHSA-N 437.519 4.502 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](COC)C1 1539986027 RPPVJESKALNKFZ-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN(C)c1ccccc1 1540056629 OVBHGQAVHYEDJB-UHFFFAOYSA-N 432.391 4.528 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)cc1C 1540146523 GLDIEQNNEFOKEA-LJQANCHMSA-N 426.561 4.726 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2C[C@H](F)c2ccc(Br)cc2)C1 1540882924 QPENFDVDVBFRNW-MSOLQXFVSA-N 437.357 4.656 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCCC(F)(F)C2)C1 1540885482 KARNCIMVWPLGTR-GHTZIAJQSA-N 446.542 4.951 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCCS2)C1 1540887432 XGEZYVORCYBITI-MSOLQXFVSA-N 449.020 4.674 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCO[C@H](C)C1 1540909179 ABEYFFCRPXBLDJ-UYAOXDASSA-N 430.618 4.569 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1540917796 CYUXFGCFCDAPCS-HXUWFJFHSA-N 447.048 4.694 30 10 IJEE C=CC[C@@]1(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)CCCN1C(=O)OC(C)(C)C 1544150855 VTIHAJJQEFJYPN-QFIPXVFZSA-N 447.919 4.779 30 10 IJEE C=CCn1c(SCCN2C[C@@H](C)O[C@H](C)C2)nc2scc(-c3ccccc3)c2c1=O 1559330863 SPFGOASRRVHSHD-IAGOWNOFSA-N 441.622 4.512 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 1561011220 DXTBZXDIOHLCAS-DOTOQJQBSA-N 446.897 4.630 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(Cl)cc1F 1564999809 KKFXGLCASOVGHY-DEOSSOPVSA-N 435.930 4.834 30 10 IJEE C#CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CCCc2ccccc21 1585188966 INQDKZSJZKDZEA-FQEVSTJZSA-N 436.305 4.709 30 10 IJEE N#Cc1cc(NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)ccc1OC(F)(F)F 1586043338 CGZHQGYNMHELDC-UHFFFAOYSA-N 444.388 4.913 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCCc3cccc(CNC(=O)OC(C)(C)C)c32)cc1 1586465611 LFXQCHVTJQFGKM-UHFFFAOYSA-N 434.536 4.706 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCN(C(C)C)CC1 1587893757 HVYVDCBHJNFVLY-UHFFFAOYSA-N 432.037 4.558 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OCCCC 1587932498 VFAGHKAKKGXHIT-UHFFFAOYSA-N 449.624 4.967 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1Cc1ccsc1Br 1588205523 OTNOKKYTDYTBGT-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1588284442 SCUYRASQEFQLAO-UHFFFAOYSA-N 449.555 4.896 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1589687406 DTJFVQHDQMXNBB-CPJSRVTESA-N 443.611 4.909 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1594202229 IGAFMVBGAMEZMF-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(C)c1 1594687878 ZKTUDSZYYOYYIX-UHFFFAOYSA-N 428.378 4.957 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ncccc1Cl 1594895911 QCONWQOTKPMJCC-OAHLLOKOSA-N 444.004 4.881 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCCSC)C1CC1 1595037633 IINCLQVTXHVACD-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H](C)CN1CCCCC1 1595127637 WXFGUQDCMNCRSI-OAQYLSRUSA-N 448.590 4.794 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C 1595170720 IMWADNJAJJVINV-SQJMNOBHSA-N 445.721 4.899 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](OC(C)C)c2ccccc2OC)C1 1595674486 QHWZENXIHLZWKB-SIKLNZKXSA-N 442.604 4.532 30 10 IJEE COc1ccc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1C#N 1595802288 HAUIDCLAKIXPIN-UHFFFAOYSA-N 448.319 4.701 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(COCC(F)(F)F)cc1 1596830824 FMWSMNNXRUBZDZ-MRXNPFEDSA-N 437.510 4.590 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2CC(C)C)c1 1596844977 VGMTWUBQABQPNO-XMSQKQJNSA-N 447.000 4.886 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(Oc2cccnc2)c(F)c1 1611307258 AMIFHQVQXWSJJM-QGZVFWFLSA-N 436.535 4.980 30 10 IJEE Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OC(C)C)CC2)n1 1612219415 IAYIJGYBNUFKIC-UHFFFAOYSA-N 444.583 4.547 30 10 IJEE CC(C)Oc1ccc([C@H](CNc2nc3c(c(C#N)c2C#N)CCCCCC3)N(C)C)cc1 1612440987 FAPMQYUHSYUVTB-VWLOTQADSA-N 431.584 4.986 30 10 IJEE COc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3F)N(Cc3ccco3)C2=O)cc1 1615304509 CEPXXIMYXPOWPA-IBTWPMPSSA-N 435.480 4.934 30 10 IJEE COc1ccc(-c2ccc(CNC(=O)CCCC(=O)Nc3ccccc3C#N)s2)cc1 1629595641 CVSUVZWKZYYSLM-UHFFFAOYSA-N 433.533 4.721 30 10 IJEE C#CCC1(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)CCCCC1 1629850122 MAUWCHDBTTUFDK-LEWJYISDSA-N 428.548 4.619 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 1631744232 GZLVNSHAZMSDHJ-YWZLYKJASA-N 427.342 4.872 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1631871378 AEKTXZSXAVZENW-ZOCIIQOWSA-N 437.943 4.536 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1634163772 OJOSEJGQJJHRNT-UHFFFAOYSA-N 440.499 4.633 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1COc1ccc(Br)cc1)c1ccc(F)cc1 1636548409 PSLVRGGLYSYQRH-ICSRJNTNSA-N 431.305 4.516 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=[S@@](=O)(CC)c1cccc(Cl)c1 1637323699 YHWUPVZMRPRXPT-KUNJGFBQSA-N 435.373 4.749 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)cc1OC 1640839511 SVCWKZSKSYEXCW-DJGBTNNQSA-N 431.891 4.666 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)Cc2ccccc2C)nnc1-c1cccc(Cl)c1 1651889426 KEALQAWKEVDCTM-KRWDZBQOSA-N 441.000 4.932 30 10 IJEE C=CCN(Cc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1)[C@@H](C)COC 1654211053 FHIUHMUHKLIJCI-AWEZNQCLSA-N 427.492 4.869 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc(Br)n1)c1ccc(C(F)(F)F)cc1 1654702004 BNARPCDSWFKSDD-CQSZACIVSA-N 449.292 4.849 30 10 IJEE Cc1nc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2cc(-c3ccccc3)sc2n1 1655359548 HWCKYFPVHIZBOV-WMZOPIPTSA-N 435.553 4.838 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 1660921593 XMHDATIVGRYOPO-UHFFFAOYSA-N 446.366 4.988 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccn(-c2ccc(Cl)cc2C#N)n1 1662039202 GWMPKHLUDVOTQL-UHFFFAOYSA-N 441.716 4.784 30 10 IJEE Cn1cc(CNC[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 1664264747 ICDYFRPESOKYMM-MUUNZHRXSA-N 441.623 4.987 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 1670779765 ITZDMGJZIYCEMS-UXHICEINSA-N 431.458 4.595 30 10 IJEE C#CCN(C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1670909155 IPDJEZTWATUFPE-JOCHJYFZSA-N 439.600 4.746 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(C(F)(F)F)cc1 1680854079 BPBPOGGGQFFESJ-VQTJNVASSA-N 449.448 4.957 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC 1682893217 ROTODVBAWSUQNM-QFIPXVFZSA-N 441.572 4.848 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)c1ccccc1 1684987780 BXNIPWHARPNXID-BJKOFHAPSA-N 442.003 4.798 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1ccc(Cl)s1 1689828640 QJBCNMJQZBXYFN-CABCVRRESA-N 432.952 4.973 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1689885540 LWWBBPYAJDJMHY-INIZCTEOSA-N 438.373 4.963 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1689897965 NMNYIOOXBVOFNS-SIKLNZKXSA-N 447.410 4.701 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCc1ccc(Cl)s1 1690083939 QVQQNKOGQAAAFN-UHFFFAOYSA-N 428.989 4.891 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1690182615 DAORBYWOYWQEID-HXUWFJFHSA-N 426.630 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 1690240329 DVQKVBMOIXJGOU-TYPHKJRUSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[S@](=O)CC 1690259482 LBEXWMSJWIUURA-SSEXGKCCSA-N 446.617 4.984 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN(C(C)C)C(C)C)CC1 1690384391 OWLZJYGNDAVCOV-FGZHOGPDSA-N 431.669 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1690418986 DGDVFHMSWPIJIJ-QZTJIDSGSA-N 444.023 4.946 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1690465530 DSSBTWJFXOXJSI-DEOSSOPVSA-N 436.648 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1CCC(OC)CC1 1705481394 FZVQGHANYPTZJK-VWYCLODISA-N 426.630 4.795 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccc(C)o1 1705527180 XIMWISTXKTZJTH-UHFFFAOYSA-N 443.345 4.667 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(Cl)nc1 1705607063 PBJYMXCQWRHPHD-HNNXBMFYSA-N 425.989 4.688 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705620377 RWSRVHVAZFQWRA-VXKWHMMOSA-N 439.623 4.624 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC2CCN(CCC)CC2)CC1 1705784927 OWYGHMAQBSXQBS-UHFFFAOYSA-N 437.632 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(OC)c2)CC1 1705789382 JMECTQYSJBAVOC-UHFFFAOYSA-N 446.599 4.586 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@]2(CCCOC2)C1 1705812707 JKKIQYNXSBWGJE-OAQYLSRUSA-N 449.368 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H]1CCO[C@@H](C)C1 1722280511 KGZVCYSTSBVZQR-FHWLQOOXSA-N 426.630 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCc2cc(OC)ccc21 1722281149 HNZINJSMLPIPJG-LPHOPBHVSA-N 435.959 4.580 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1722321863 CPPYRIVXGCSVTC-TZIWHRDSSA-N 439.560 4.545 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H](OC)C(CC)CC 1722348301 VNLGQSSRGCODBG-FQEVSTJZSA-N 447.421 4.927 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCN(C)C(C)C 1722375459 LWCQZAYWNUXSGD-UHFFFAOYSA-N 449.599 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)C[C@@H](C)CC 1722495383 HGJSAFDIEWRVBW-LEDOBFOHSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](COC)C1 1722585306 VPRSZXJUBFSOTQ-IBGZPJMESA-N 434.588 4.800 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)C)CC1 1722597469 MZZYSRJUFFZVQA-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1Cc1nncn1CC 1722662241 FWRVATXPBRTZLJ-UHFFFAOYSA-N 439.976 4.512 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=C(C(C)(C)C)CC1 1722685639 IBCQTQJWZALZNF-SFHVURJKSA-N 429.609 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H](C)Cc1cccs1 1740543454 PJYOYJPQTFNCHO-ROUUACIJSA-N 438.597 4.751 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1740733170 FEBUGMSEEIAUCF-KBMIEXCESA-N 443.636 4.506 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CC2(CCOCC2)C1 1740777318 UUYPDUPDHBMDIL-NHCUHLMSSA-N 430.637 4.806 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC1)C(C)C 1740925713 CYXOSFMAUOVOPI-DEOSSOPVSA-N 430.600 4.792 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CN(CC)CC)C1 1740949135 ITFBKBSDRBKMHL-HXUWFJFHSA-N 425.621 4.509 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CCCS1 1748650837 FYWVMTDZSQJOSH-YVEFUNNKSA-N 425.421 4.513 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOCC)CCCC1 1748835509 FLNQYHDXIVZQSQ-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1ccco1 1749044774 VJHQSXZOZMHSFU-OAQYLSRUSA-N 436.581 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@H](c1ccco1)N(CC)CC 1749060792 CPKUANYTWHIELD-ATIYNZHBSA-N 431.584 4.922 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)CCC(C)C 1749061127 LFWNTWAHGHVXAA-FTJBHMTQSA-N 431.584 4.673 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)=C(C)C1 1749133990 SPKUFICNRJADFU-WZONZLPQSA-N 428.527 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1cc(Br)cs1 1749162896 XAJSBOSXCZFAIQ-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1749174426 PJCNQDSIRVMLKS-QHCPKHFHSA-N 435.616 4.625 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749182030 JJXUBMKJOJOUGS-HSZRJFAPSA-N 448.615 4.537 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1749218299 KVRUDPFPHNLICR-GHTZIAJQSA-N 437.975 4.969 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(F)c1)C1CC1 1749511645 ZAWYLUVEOAPEGM-UHFFFAOYSA-N 430.325 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCO1 1749553258 HOLODSFZXNPUIW-LJQANCHMSA-N 426.561 4.831 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cc(Cl)ccc1OC 1749608336 YCTBOZJMERLKSY-UHFFFAOYSA-N 436.741 4.520 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1749640351 REJAGJGQDXLAGW-QHCPKHFHSA-N 437.632 4.752 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CCSC(F)(F)F 1751261723 COTFICHCMYOAPW-STQMWFEESA-N 431.459 4.549 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCC(F)(F)CC2)c1 1751458988 BVBXHXAGOIZJEV-JOCHJYFZSA-N 447.505 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1ccsc1)N(C)C 1760100515 BWBKFFRRXCXRNN-JPYJTQIMSA-N 444.608 4.624 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)C(C)C 1760104966 KAYHQVDPIOOATA-OAHLLOKOSA-N 433.394 4.856 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCO[C@H]1CCCC[C@H]1C 1760105883 IFKOBQVNTMMCPL-UWVAXJGDSA-N 430.980 4.660 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1760134021 XSQHPOIFQNHFDP-LADGPHEKSA-N 444.627 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC[C@H](C)C1 1760225317 MZVISGXJRZPVLH-RRPUWOKSSA-N 437.632 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCC=CO1 1760290077 VVTFFRBRRYDNGZ-KIVTUJJHSA-N 436.556 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCn2cc(C)nc21 1760338315 ILRGNEFCVXMGIG-GOSISDBHSA-N 440.542 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@H](C)C1 1760340344 VIMYRGXIFWNPLK-LWYYNNOASA-N 431.625 4.887 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1760346453 AZQZSIVXJHRZTL-VQTJNVASSA-N 443.586 4.814 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCSC(F)(F)F)CC1 1760392827 BJCQOLJMDFSUNS-UHFFFAOYSA-N 442.507 4.665 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CSCCS2)CC1 1760397248 PHGYOXWBYTYHAJ-FUHWJXTLSA-N 448.633 4.808 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C2CCOCC2)C1 1760424188 ZFOUYJXCSCWXHC-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1760425886 YCOUTGIHFOGWMS-OAQYLSRUSA-N 436.604 4.851 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1760447759 QKEGRQAEPSLYLC-ROUUACIJSA-N 431.378 4.535 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCc2sccc2C1 1760452895 KWIWBKKZZFXURO-TZIWHRDSSA-N 444.645 4.804 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN(CC(C)C)C1)C1CC1 1760475414 GTTZPCFFPLLNER-MDNUFGMLSA-N 443.680 4.720 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760560979 LTKHWWJPVQJSEY-HXUWFJFHSA-N 443.020 4.864 30 10 IJEE COC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)CCCC1 1768233812 CGNJLFJDXLBUCQ-ICSRJNTNSA-N 425.577 4.733 30 10 IJEE CN(C)c1ccc(C=NN=C2S/C(=C/c3cccs3)C(=O)N2Cc2ccco2)cc1 1772759520 SOEZIFSBXLTCGY-NQFKXEMJSA-N 436.562 4.914 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 1861179491 XGWOVALHCBEEPJ-OAQYLSRUSA-N 447.639 4.799 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(=O)OC)cc1 1862381777 ARULPHDGSSWRBE-SFHVURJKSA-N 446.286 4.544 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2c(c1)CCCN2C 1862388110 BANQJNMVBQITKU-FQEVSTJZSA-N 445.346 4.974 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)cc2)cc1C 1862400852 OGSVOVRKVLUROP-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CC(C)C)cc1OC 1862452971 OGXSLWWCVXKHFL-OAQYLSRUSA-N 443.927 4.982 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(C(C)C)cc1 1862462889 BDLVFTIJYDGQSF-OAQYLSRUSA-N 447.453 4.842 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1c(Cl)cccc1Cl 1862483023 YLZCUXPBKBCHPC-LJQANCHMSA-N 434.319 4.917 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862594288 RTMLZELDCBXNFI-IVZQSRNASA-N 444.443 4.640 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccc3ccccc23)cc1 1862666807 MKQNAEAXPUXPPA-MZNJEOGPSA-N 429.516 4.922 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862672935 HYKUSVIRLYYHSG-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(Cl)c1 1862740418 CWECCVAVRKAIKQ-IBGZPJMESA-N 428.872 4.873 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c1 1863179798 HAKMWZKHOZYAGC-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(OC)cc2)C1=O 1863672564 XBFVWINAUSAZLF-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1ccc(C)cc1 1864270267 QPJNBKYKQZNYEC-OAQYLSRUSA-N 438.616 4.945 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccc(C#N)cc1 1866660075 OTSZVDPSAUSVAK-NRFANRHFSA-N 448.498 4.517 30 10 IJEE CCCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1cccc(C#N)c1 1866826395 PSXUVHKBWFRSSB-QFIPXVFZSA-N 443.551 4.503 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1 1868723341 CBUYINWKXBGJPL-PKTZIBPZSA-N 426.507 4.582 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1cc(Cl)ccc1Cl 1870153999 MGEBAYPPAAYHKX-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1CCN(CC)CC 1870489907 PUJPSJLNYXKBQR-UHFFFAOYSA-N 437.628 4.560 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 1872245386 RACQKSVGITYCQH-HSZRJFAPSA-N 428.598 4.924 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617148 AIQOIWMXCJAYER-UHFFFAOYSA-N 437.507 4.666 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874223164 WWICSVAGIVTASC-XIEYBQDHSA-N 437.613 4.912 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874303103 IBZVTWNUDKIICR-ZXVVBBHZSA-N 443.576 4.880 30 10 IJEE COc1cccc(CCc2nnc(SC)n2/N=C/c2cc(Br)ccc2F)c1 1874308585 FKWTYYQRZLXKLD-WSDLNYQXSA-N 449.349 4.578 30 10 IJEE CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(N(CC)CC)cc1 1874313459 VTNZJYICPZFRRR-XIEYBQDHSA-N 437.613 4.912 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)c1 1874408935 WYSFLAGIYIXHBU-ZMOGYAJESA-N 444.601 4.588 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1cccs1)Nc1ccccc1F 1874420967 NOOXFTVIIJLCCC-SRZZPIQSSA-N 443.554 4.820 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc(F)c1 1874492993 PVNGNNTWVJZXCC-DHRITJCHSA-N 437.544 4.915 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C(C)C)cc(OC)c1OC 1874512297 QITKHCMJSMJYIY-WYMPLXKRSA-N 444.532 4.741 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1OC 1874616491 CWIRTVFYVDJTSK-IZZDOVSWSA-N 445.943 4.939 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Br 1874618852 WCIJQQVDDUDYSD-XBXARRHUSA-N 434.305 4.698 30 10 IJEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC 1874638829 UWKBUVWVLNKRRE-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cncc(C)c1 1875094468 ULWKTHMQPPGJNR-VQHVLOKHSA-N 432.432 4.812 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 1875098970 PAYHYQQWWQJIHP-WLRTZDKTSA-N 433.416 4.727 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)CCOC 1875155057 KTFUWUXKYOCFSK-VAWYXSNFSA-N 449.459 4.985 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)CCOC 1875174456 RQRVSNOUPDDXJR-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1F 1877008295 CZFSREHRGGZSKV-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1)c1ncccc1C#N 1890049028 PUFKQBVRZNYDNK-UHFFFAOYSA-N 436.865 4.614 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)cc21 1890960184 ZXRDNHLHQIYDND-UHFFFAOYSA-N 444.535 4.883 30 10 IJEE C=CCN(C(=O)c1ccc(Br)cc1I)C1CCCC1 1968913936 OHLLHPYYKHYULH-UHFFFAOYSA-N 434.115 4.625 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1cccc(Br)c1Br 1992854575 KFEHYNVPWMRLFY-ZIAGYGMSSA-N 448.199 4.551 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]21 2009371086 OFUIEIQCJDVJCX-AVYPCKFXSA-N 447.498 4.858 30 10 IJEE N#Cc1c(Br)cccc1N[C@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2043996915 DUYWJKNIGUQGHM-FQEVSTJZSA-N 440.341 4.924 30 10 IJEE N#Cc1c(C2CCCC2)nn(-c2ccc(I)cc2)c1Br 2080298081 SAMSPGUAYLCMAL-UHFFFAOYSA-N 442.098 4.769 30 10 IJEE Oc1c2c(nc3c(-c4cc(C(F)(F)F)cc(F)n4)c(C(F)(F)F)nn13)CCCCC2 2081306289 CSZVPPCRWQVBKA-UHFFFAOYSA-N 434.315 4.943 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1Br 2181049254 WKKBXRUEHPSGAQ-KRWDZBQOSA-N 436.350 4.998 30 10 IJEE CC1(C)CC([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Br)cc2C#N)C1 2181114901 OVLCIMHSOQOYBW-INIZCTEOSA-N 436.350 4.589 30 10 IJEE C=C(c1ccccc1)[C@@H](O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2197136466 FSYGTYFGWKAGMT-WOJBJXKFSA-N 432.358 4.959 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CCN(CC1CC1)C(=O)OC(C)(C)C 2235726587 PCTDYPYIKQOUSV-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255808906 PRLIUZHOHXGIGE-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(Cc2ccccc2)CC1(C)C 2262207773 UOEMNFDMJALGDL-HHHXNRCGSA-N 437.580 4.922 30 10 IJEE C=CCN(C[C@@H](NCCC)c1cc(OC)c(Br)s1)C(=O)OC(C)(C)C 2263745153 ZHLFIFCEUVTHID-CYBMUJFWSA-N 433.412 4.983 30 10 IJEE CC(C)[C@@H]1[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CCN1C(=O)OC(C)(C)C 2279442423 IJIKDGBAPUUYSA-NVXWUHKLSA-N 436.350 4.541 30 10 IJEE Cc1c(Br)cc(F)cc1NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 2287978347 JUWXBJPVWCCXEE-HNNXBMFYSA-N 442.329 4.812 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@@H](N)CC#CC1CCCC1 2289848434 VLZJVWQSEVUNNS-VQTJNVASSA-N 435.406 4.796 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CN(C(=O)OC(C)(C)C)c1ccccc1 2296216185 IBYRQHRECQGAEK-LJQANCHMSA-N 429.358 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@H](O)C#Cc1cccc(Br)c1 2296218581 FVYYEKAMRFIMOI-MOPGFXCFSA-N 434.374 4.731 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296218744 HJXMXUKWXAWFTH-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](O)(C#Cc2cccc(Br)c2)C[C@@H]1C1CCC1 2296231377 CQTFQGFXIFETCJ-DENIHFKCSA-N 434.374 4.731 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C12CC(CCN1C(=O)OC(C)(C)C)C2 2296275073 XNCBVECKKVFDQA-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@H](N)C#Cc2cccc(Br)c2)C1 2296282886 AKDLOBRLLAHKAY-PKOBYXMFSA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296296806 RRLKDXVCGHNMSW-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CC2)cc1 2320909259 PMTRCVRASIMZFH-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2321962086 JLJOIYALCMOIIW-INIZCTEOSA-N 446.507 4.959 30 10 IJEE CCc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCO3)cc1 2322687855 HUMARXSBFBGALE-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1cc(Br)ccc1OCCO 2322926845 SGLOEARBBMFNJD-UHFFFAOYSA-N 425.706 4.687 30 10 IJEE C=CCOc1c(Br)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OC 2323456739 ILBISCRTUXSAHS-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)c1 2324825678 HBZCKZWZHUGVFM-HNNXBMFYSA-N 433.485 4.973 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(N(C)C)cc1 2325513453 KWAMZQPUUKZVTO-UHFFFAOYSA-N 438.557 4.769 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2325726915 LWOIYOILSCTFBM-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(C)cc1 2325919658 JWTJXWWDAMRKSD-QFIPXVFZSA-N 445.592 4.653 30 10 IJEE Cc1ccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SCCCO)cc1 2326034041 NSVHNQCTNRAGPU-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccc[nH]2)cc1 2328577966 BUWWIWKKGLHCCE-UHFFFAOYSA-N 431.565 4.617 30 10 IJEE COC(=O)c1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)cc1 2331453530 CLKCYRQYAGQKIQ-UHFFFAOYSA-N 426.517 4.577 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2OC)c1 2331541419 DWSVOIZMBHGKKN-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1c(F)cccc1Cl 2331636682 LCJYBRGDJOFFLO-UHFFFAOYSA-N 445.951 4.945 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 2331708121 DAKOCOZEMUMGGV-UHFFFAOYSA-N 437.370 4.974 30 10 IJEE N#Cc1ccc(COc2cc(Br)cc(I)c2)c(F)c1 2338710913 QDBJVLMCBNLTFW-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE Cc1cc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)ccc1[N+](=O)[O-] 2609985 PNIDCZXBBXWRGT-LLVKDONJSA-N 429.523 4.708 30 10 IJEE O=C(O)COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 7017207 LLKMHYDZDXYSDG-KWZOLKRCSA-N 430.485 4.959 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc([N+](=O)[O-])c1 10480800 QRNCPXMWWNEFMU-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 26371177 TUGNZSLDNXVUBU-UHFFFAOYSA-N 443.916 4.814 30 10 IJEE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825315 DFPTZZIAGUYSGV-NHFJDJAPSA-N 446.576 4.887 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccncc1)C3 41646474 HSYGYULSBNTTOY-QRVIBDJDSA-N 428.488 4.757 30 10 IJEE COc1ccccc1/C=C1\S/C(=N/N=C\c2ccccc2F)N(Cc2ccco2)C1=O 47138910 CGLFVFTXMWLSFL-ZJHZAIRNSA-N 435.480 4.934 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1)c1ccccc1 59020622 RNKPNLVRLSBOHU-QQXSKIMKSA-N 448.474 4.781 30 10 IJEE Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)c3ccccc3n2)c(C)c1 105279055 GMJLVCVSFAGVEZ-UHFFFAOYSA-N 447.542 4.748 30 10 IJEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)c1OC 169951657 QPOVTWVFMMTJJG-QHCPKHFHSA-N 435.520 4.544 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@@H]1c1cccs1 169982399 VUYXIBGKLHTCMG-NRFANRHFSA-N 435.501 4.544 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccn1)c1c[nH]c2ccccc12 169998294 JYBSKZIKYJOCFI-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1ccc(Cl)cc1 170060320 ISXFYTQHKYHBGB-JOCHJYFZSA-N 440.971 4.877 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCCC2)c1 170119153 JFXFDZOHHGBOJI-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2cccs2)cc1 170159609 LIGZOMYFKJEOTC-QFIPXVFZSA-N 446.528 4.668 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccs1 170162657 PWAXCUWZFASULU-LJQANCHMSA-N 440.908 4.584 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 170238016 OQMVNYOUEJKKDL-QHCPKHFHSA-N 433.479 4.982 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2F)c1 170250734 HSEXUDRLAHETFK-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)cc1Cl 170307003 LATKVOALAFQRQG-LJQANCHMSA-N 427.840 4.622 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1 170421487 FOCIFSMXTGSNTI-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2cccc(OC(C)C)c2)c1 170475633 VWEMLYZSWKKTIE-XMMPIXPASA-N 437.536 4.993 30 10 IJEE O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ccc(I)cc3)o2)cc1 252622307 NSDANIBEERVGGF-UHFFFAOYSA-N 433.205 4.905 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3)cc2OC)cc1 254814586 IBXGZDOGIVNSRF-UHFFFAOYSA-N 449.532 4.634 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1ccc(F)cc1Cl 254835213 BGXOCEFSXVCPLI-UHFFFAOYSA-N 442.850 4.767 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1=O 439388292 RBUFTSUQQUZABW-IBGZPJMESA-N 433.430 4.748 30 10 IJEE C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 479021090 LRNAUJUVTGVODD-IQMFZBJNSA-N 445.906 4.992 30 10 IJEE Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)nn1-c1cccc(C#N)c1 505799753 VQIOJGPVMWNDLE-OAQYLSRUSA-N 435.325 4.792 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 508903366 OKIKDXAVQXSIMX-LJQANCHMSA-N 430.455 4.520 30 10 IJEE C=CCn1c(SCCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1cccnc1 537196897 XCSOROXGJVEJBE-UHFFFAOYSA-N 428.945 4.676 30 10 IJEE CCN1C(=O)CCc2cc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)ccc21 545399904 OHWVMPXTKRAFDK-UHFFFAOYSA-N 425.488 4.689 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C[C@H](c2ccccc2)O1 549125804 URRNUKJEGYTNOW-NBGIEHNGSA-N 435.531 4.831 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 549560208 GMBWVGXMGABRLB-IBGZPJMESA-N 433.531 4.930 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 555287323 AMJORBJFVAVOPF-HNNXBMFYSA-N 447.406 4.692 30 10 IJEE C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCN1C(=O)c1ccccc1 609725077 CBIBDEIHGGBLFB-SANMLTNESA-N 425.488 4.984 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(OCc2ccccc2)CC1 670204856 SHWZRDKFICGIFA-XMMPIXPASA-N 430.552 4.716 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccccc1NC(=O)c1cccs1 735337357 QMJAAMGSVVDABZ-UHFFFAOYSA-N 426.881 4.913 30 10 IJEE Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)CCC2=O)cc1C 760385955 KUQLRBPCJDDNGG-FQEVSTJZSA-N 443.469 4.509 30 10 IJEE CC(=NNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(N2CCOCC2)cc1Cl 764666582 NEDRVGWSLPWXQW-UHFFFAOYSA-N 449.864 4.975 30 10 IJEE O=C1C=CC=N/C1=C(\O)NCCN[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 779102785 BVOWBIMTYNJTOW-DCDYOYONSA-N 449.860 4.564 30 10 IJEE CC(=O)c1c(C)[nH]c(-c2csc(=Nc3ccccc3C#N)n2Cc2nnc(C)s2)c1C 779741774 ZKKJWNIDBRRKMF-UHFFFAOYSA-N 448.577 4.676 30 10 IJEE N#Cc1ccc([C@H](O)CN(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)cc1 781347028 NWKSXGMESBVFQA-RPWUZVMVSA-N 440.465 4.846 30 10 IJEE CC(=NNc1c(F)c(F)nc(F)c1F)c1cccc(OCc2cn3ccccc3n2)c1 915948969 XYDZLCYOLRAWCP-UHFFFAOYSA-N 429.377 4.701 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@@H]2C[C@](C)(OC)C2(C)C)nnc1-c1ccc(Cl)cc1 1126449840 UUSNIKPVQAKVRJ-VGSWGCGISA-N 449.020 4.539 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)CCCN1C(=O)OC(C)(C)C 1127132109 SQMLMHCJQHIVMM-QHCPKHFHSA-N 443.544 4.989 30 10 IJEE C[C@H]1Cn2nc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)cc2CN1C(=O)OC(C)(C)C 1127616584 DRSBDKJMQBVTNF-ZDUSSCGKSA-N 443.573 4.505 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)c(C#N)c2[C@@H]1C 1129472177 FGJOBPMHCKNDLO-VXGBXAGGSA-N 440.550 4.789 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cc1 1130714237 FXVYCAAFEMLREQ-OAQYLSRUSA-N 432.442 4.757 30 10 IJEE COc1cc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c(F)cc1C#N 1131492809 AGVIDFQFZFKEDC-UHFFFAOYSA-N 437.496 4.981 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(OCc2ccccc2)c1 1143429136 WHCYISZKZZTRCA-SFHVURJKSA-N 431.920 4.635 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1157507923 KTWLJAGOAJJRIG-CTNGQTDRSA-N 442.918 4.944 30 10 IJEE C#CCN(c1cc(Cl)nc([C@H]2CCCO2)n1)[C@@H]1CCOc2ccc(Br)cc21 1162525359 RGGDECQMBPWQSD-NVXWUHKLSA-N 448.748 4.707 30 10 IJEE C=CCn1c(S[C@H](C)c2nc(C)cc(O)n2)nc2cc(-c3ccccc3)sc2c1=O 1165303864 TXKNBWZLKUVPDK-CQSZACIVSA-N 436.562 4.968 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(Cl)nc2cc(C)nn12 1185874745 NWNVRENJYHXBNA-UHFFFAOYSA-N 426.933 4.507 30 10 IJEE CC(C)c1cc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nc(C(C)C)n1 1185906343 HDFQNCDQAQPJEN-FQEVSTJZSA-N 442.405 4.873 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C(=O)OC)c1Br)c1ccc(Cl)cc1F 1204796634 BUIIXKCHRVJWSX-AWEZNQCLSA-N 439.668 4.524 30 10 IJEE CSc1cccc([C@@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)c2ccc(F)c(F)c2)c1 1210360888 FUNGHXNRBTWJQC-JOCHJYFZSA-N 444.528 4.935 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)cc1 1214815161 DZHPDALBGQAEEY-UHFFFAOYSA-N 447.457 4.744 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N=S2(=O)CCCC2)cc1)c1ccc(Br)cc1 1219192281 JGLAMPSTVGETHJ-LJQANCHMSA-N 446.370 4.838 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)ccc1OC 1221923440 BALHYPJYIVDREY-MRXNPFEDSA-N 448.350 4.951 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CCCCS1)c1ccc2c(c1)OCCO2 1264221317 PJIPGMWDZLXQGG-QHCPKHFHSA-N 425.550 4.842 30 10 IJEE CCOC(=O)c1c(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c(C#N)cn1CC 1276335809 CPRSLCZVFPFPAK-UHFFFAOYSA-N 442.928 4.514 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286317894 QBJCURYJLKVTFE-SJLPKXTDSA-N 432.399 4.728 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)c1cccs1 1286399402 GEHRSLFJYAVBFU-SFHVURJKSA-N 436.556 4.669 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCO[C@@H]1CCCC[C@H]1C 1286436452 IWDFSIBQWGBRSS-YLJYHZDGSA-N 445.405 4.762 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC=C(C)CC1 1286497380 QSEMDUYBSDAVHK-UHFFFAOYSA-N 431.609 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)s1 1286569889 FMTHKCWBYDBLIB-UHFFFAOYSA-N 434.407 4.867 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCN(CCC)C2)CC1 1286657283 WAXQWIAUPLMBSE-PZJWPPBQSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1286662435 LAAZIWTWQINZSE-FQEVSTJZSA-N 435.641 4.853 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(F)(F)Br)C1CC1 1286732322 PPCSXBCWXYKCLV-GFCCVEGCSA-N 445.283 4.700 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1286735430 ZSCHVCORXADBHT-INIZCTEOSA-N 429.565 4.504 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCc1ccccc1F 1286749871 GFILNDVBIHLCFG-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2c(C)coc2C)C1 1286811730 FEOBVWSFHIVQIU-JOCHJYFZSA-N 436.556 4.513 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)CC#N 1288434406 AQXAMZYLNODYSO-FHLIZLRMSA-N 432.366 4.575 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](Cc3nc(C)cs3)C2)s1 1289215742 MARVSTCXFZIECM-AWEZNQCLSA-N 428.048 4.695 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1300287125 UOEDPGFWKNAPMS-LSDHHAIUSA-N 430.339 4.572 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1300313288 FOGVJLPLHFBNPJ-QGZVFWFLSA-N 431.540 4.638 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@@H]1CCOC1 1300740981 JIZPZNHAIYSTDA-HNNXBMFYSA-N 447.029 4.652 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CCSC 1300873420 GBYPZZOAZASADP-SUMDDJOVSA-N 436.025 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](c1cccnc1)C(C)C 1300907898 STNLRJCFCKZJBQ-OAQYLSRUSA-N 433.556 4.911 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1301041778 NRXIYYDLLLJECS-FQEVSTJZSA-N 445.007 4.912 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@](C)(O)C(C)C)CC1 1301119317 DSGPTQFHNQSOCM-VWLOTQADSA-N 442.604 4.552 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2Cc2nc(C)cs2)CC1 1301135796 SDKPIILUCJMOAQ-UHFFFAOYSA-N 441.626 4.795 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1nc(C)cs1 1301348522 CCZHBTYEGLDMEX-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCOC[C@@H]1C)C(C)C 1301367788 SFQSKLYKQYIISU-UNMCSNQZSA-N 449.599 4.615 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)C(C)C 1301405720 JIBNQSJKIWJXNX-HSZRJFAPSA-N 428.964 4.834 30 10 IJEE C=CCn1c(SCCc2ccc3c(c2)OC(F)(F)O3)nc2sc(C)c(C)c2c1=O 1307259587 YRTFEPIYAKALOO-UHFFFAOYSA-N 436.505 4.917 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](Cc1ccccc1)c1ccccn1 1308555699 OZXIJHQXBMBUDA-HXUWFJFHSA-N 435.365 4.972 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2)c1ccccc1 1309810963 VKGWUMLJHUMBKP-FQEVSTJZSA-N 432.973 4.625 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](c3cccs3)C3(CO)CCC3)s2)cc1 1310086762 HMYHVHUHOUFWMO-LJQANCHMSA-N 438.578 4.692 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)c(Br)c(F)c1)c1ccc(Br)cc1 1310506884 JBMPHNGCDBFKDH-AWEZNQCLSA-N 444.073 4.986 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC3(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc21 1311253833 XBIWMUYGVITKSZ-UHFFFAOYSA-N 439.560 4.524 30 10 IJEE C=CCn1c(-c2oc3ccccc3c2C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1338771911 XGKNQXUSVRBWKG-JOCHJYFZSA-N 430.508 4.772 30 10 IJEE C=C[C@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 1347777881 XYGMOSUDMGDTEH-MRXNPFEDSA-N 433.430 4.622 30 10 IJEE C#CCO[C@@H](C)C(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC 1348439865 STYVPMRPFQSNLF-NSHDSACASA-N 426.321 4.875 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1358384710 MTVQDMTXZMQUEZ-AREMUKBSSA-N 438.543 4.919 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC=CCC1 1358970950 BMYPIBHKKAMMDX-FQEVSTJZSA-N 427.577 4.806 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359117809 UNVPNTVUDIGDHZ-MJGOQNOKSA-N 430.980 4.779 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@H](CC)C1 1359124082 FQUIPSZSMDVCCA-QGZVFWFLSA-N 437.407 4.528 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCCc1ccccn1 1359142882 PXWOUMLDQZTEOX-KRWDZBQOSA-N 429.927 4.774 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1359168129 ISLGHXFEGPCTDD-JTHBVZDNSA-N 437.632 4.751 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@@H](F)C1)C1CC1 1359253411 DTDFGOHPNNUXTC-LMMKCTJWSA-N 433.572 4.643 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1Cc1sccc1C 1359256018 RTOXZZHJNQNKNE-UHFFFAOYSA-N 428.565 4.766 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCC1 1359257373 IUPNDXHDAZWYGI-BVAGGSTKSA-N 436.600 4.868 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1CC 1359276852 SNPOHWYFVXCBQA-LJQANCHMSA-N 439.991 4.911 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCSCC(C)C)C1 1359316875 XXVZOMNYJYXZOL-QGZVFWFLSA-N 439.000 4.908 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1359344248 QFCMGGMDABHYJV-YADHBBJMSA-N 440.657 4.740 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)C1 1360138051 AGGJWVPIZKEAHL-PZJWPPBQSA-N 432.572 4.728 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)s1 1360453742 SLKYQBPRDVDQRD-CQSZACIVSA-N 438.018 4.702 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC(C)(C)CC)ccc1Cl 1435887868 OMVGAVVWGAINHR-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(Br)cc2Br)cc1 1436195846 XFZNOOUOVCKOAX-UHFFFAOYSA-N 425.120 4.706 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)CCc2cc(Cl)ccc2Br)cc1 1440894727 XZIGQVBZYCJHKO-UHFFFAOYSA-N 436.737 4.981 30 10 IJEE C=CCC1(C(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCC1 1441570663 QWHZMDPRRQNWGR-UHFFFAOYSA-N 425.554 4.714 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1442972596 JLDKEIWQRBRDPO-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1450274534 REYQNKDDJSSMEK-JCGIZDLHSA-N 437.378 4.569 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1454583665 LWAFJIZTOGKMPV-UHFFFAOYSA-N 430.570 4.527 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2cccc(OC)c2)s1 1455506879 VKECYUJMOPFAMP-LJQANCHMSA-N 445.585 4.931 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(-c3ccc(Br)o3)no2)cc(OC)c1OC 1457702802 LYQIWDHMVNYJKY-UHFFFAOYSA-N 433.258 4.695 30 10 IJEE C=CCn1c(SCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 1458729745 KZNPMVCJJRCSSX-UHFFFAOYSA-N 441.622 4.995 30 10 IJEE C=CCn1c(SC[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc2sccc2c1=O 1458829321 WAICKTRYPOIAML-OAHLLOKOSA-N 435.615 4.773 30 10 IJEE C#CCN(Cc1ccc(C(F)(F)F)cn1)[C@H]1CCOc2ccc(Br)cc21 1459509096 INYWXBNSCXQGTP-KRWDZBQOSA-N 425.248 4.822 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCC2 1459609513 ULKIORRKRXMRPD-ZBFHGGJFSA-N 446.366 4.760 30 10 IJEE CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)c1 1460994306 FMSWNXFQFWXMLX-UHFFFAOYSA-N 440.547 4.918 30 10 IJEE COC[C@@H](C)N(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1cc(Cl)ccc1C 1462074675 ABBKUKVJZSQERJ-SJLPKXTDSA-N 429.923 4.554 30 10 IJEE C=C/C=C\CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccc(F)cc2)c1 1462549934 OEIYYNMBFUWYRJ-WAYWQWQTSA-N 448.947 4.723 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(CCc1ccccc1F)C1CCCC1 1462943704 DBDSISIFYJAXQQ-UHFFFAOYSA-N 440.462 4.892 30 10 IJEE C=CCOc1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 1463387985 CAFRVPNOJPRAOR-UHFFFAOYSA-N 436.249 4.834 30 10 IJEE CCc1ccccc1O[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 1463593605 HONLKIFEXFWZTC-MHZLTWQESA-N 439.559 4.585 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 1465535181 AHWPZKQPYSXLRE-GOSISDBHSA-N 430.346 4.804 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccc(Br)cc1 1465619134 SMRSTIKKOYQTFZ-INIZCTEOSA-N 445.317 4.527 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 1468079153 DIAGDHTWXVIUNB-LJQANCHMSA-N 442.934 4.782 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 1469287291 CFYCFXSGPFQQIX-VMGRFDJRSA-N 436.375 4.666 30 10 IJEE C=CCn1c(Sc2cc(CCC)nc3ncnn23)nnc1-c1ccc(C(C)(C)C)cc1 1472647335 GGTNJXHLHFTDIH-UHFFFAOYSA-N 433.585 4.970 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(OC)c1 1472999378 ONVWHJHNTVLVLG-YXZMJPADSA-N 440.613 4.561 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)c(-c2ccccc2)c1)c1ccc(Cl)cc1F 1475287224 QULKHOCTEFXMCK-OAQYLSRUSA-N 429.900 4.808 30 10 IJEE COc1ncc(NC(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc1C#N 1477077361 HTYFXCYQWHBMQQ-UHFFFAOYSA-N 434.418 4.837 30 10 IJEE CCc1ccc(CN(CC(C)C)C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1478416818 BKAJEHCHQZBBOJ-UHFFFAOYSA-N 429.568 4.889 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO[C@H]2C(C)C)c1 1504331001 DOCRCAJNSZYKPV-GGAORHGYSA-N 437.588 4.535 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]2CCC[C@H]21 1507590885 HRGONGKDSMTBHQ-TZIWHRDSSA-N 441.620 4.575 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](C)c1ccccc1 1507681505 WDUIYKQKNHQOPF-INIZCTEOSA-N 426.362 4.689 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)s1 1507783613 FVLSQCGHDILMCX-CYBMUJFWSA-N 431.787 4.780 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1507832712 NCNATYVCMCFXKL-FQEVSTJZSA-N 431.625 4.670 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1507899014 ZAECPGNULZEDAG-TZIWHRDSSA-N 444.526 4.930 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCc2nccs2)CC1 1507904080 JZXYCKFHGFDRSP-UHFFFAOYSA-N 437.613 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1507911913 CBDBXULHXDFZJR-NRFANRHFSA-N 430.600 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1507912569 VYCUJPZJGOCKJY-KRWDZBQOSA-N 441.967 4.671 30 10 IJEE C=CCCCCn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@@]1(OCC)CCOC1 1507936401 AMUFAPVGRVNDAE-HSZRJFAPSA-N 430.980 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCO[C@H]1C(C)C 1507971819 COKQDOJGMDXNEF-KSSFIOAISA-N 437.357 4.530 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCC1(F)F 1507985871 DILZPTGAIRQJFH-IRXDYDNUSA-N 439.551 4.798 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@H]1C 1508000535 BXPMGBCUYBIMEY-HNVPCBRESA-N 438.616 4.948 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1csc([C@@H](C)OC)n1 1508024042 FIYQGALFZSJLAB-MRXNPFEDSA-N 429.590 4.616 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCOC1 1508037547 YSCYZUUPHVOKQY-INIZCTEOSA-N 447.004 4.879 30 10 IJEE CCC(CC)(Cn1c(-c2cnccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)SC 1513265483 DIIOEMYPQPBDLY-UHFFFAOYSA-N 447.612 4.698 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)C1 1514854049 CZRRYVKEOHYGFI-HOTGVXAUSA-N 435.403 4.580 30 10 IJEE C=CCCC1(CNC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)CCCC1 1528533877 AKBWSMZAEANZQO-UHFFFAOYSA-N 446.657 4.980 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1 1529136176 MVHKQBRESLEPDM-OKZBNKHCSA-N 447.000 4.838 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)c1ccc(Br)cc1 1535483528 MEOJKDXSJUEIGA-LJQANCHMSA-N 427.342 4.846 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(C)c(Br)cc3C2)cc1OC 1536264681 IDZLWKBQIBTZAA-VURMDHGXSA-N 442.353 4.929 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)CC1 1537363091 QBKRBISIISGJNB-UMSPYCQHSA-N 440.206 4.748 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)C(C)(C)C)cc1 1537697422 NWAJZXNMPKHBEZ-FQEVSTJZSA-N 438.543 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H](F)c1ccc(Br)cc1 1539024513 VQUDHKLRRAVQET-HNAYVOBHSA-N 433.369 4.942 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC2(CCCCC2)C1 1539056056 RDIPUSZJQNWFGD-UHFFFAOYSA-N 442.991 4.950 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 1539378738 ADLQNNRZYICXGQ-DQEYMECFSA-N 427.573 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(CC)(CC)OC 1539678906 XPIPJTMODWYODL-IBGZPJMESA-N 449.640 4.958 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1539734786 FBNBZSVPHCNRSR-SIKLNZKXSA-N 426.605 4.839 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1cscn1 1539735506 PCUCSTIEVWTCAJ-UHFFFAOYSA-N 438.384 4.938 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1539981923 ONGITTRKIJTRID-SBUREZEXSA-N 443.979 4.668 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@@H](C)C1 1540180796 VFZQFYIKUMYLPE-RBBKRZOGSA-N 436.625 4.981 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1sccc1C 1540191983 TVAVYIWQJCRYIC-UHFFFAOYSA-N 433.581 4.859 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(OC)CC1 1540880194 AJDCZDRKNLPESG-VWLOTQADSA-N 426.605 4.875 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1)C1CCCC1 1541546229 FQTMMXLZWXIICQ-HXUWFJFHSA-N 439.629 4.887 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 1545702931 UDXHYPKILROQIP-SJORKVTESA-N 433.936 4.917 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)c2c(C)noc2C)CC1 1554682509 DOAUWSFQMXKGNM-NSYGIPOTSA-N 448.571 4.621 30 10 IJEE CC[C@H]1CCc2nc(O)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)cc2C1 1557130792 ZLLPNLFAJPKUNP-GJZGRUSLSA-N 431.458 4.875 30 10 IJEE N#C[C@H](C(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1)c1ccccc1 1559381005 AVSDKCCMWGITRJ-QFIPXVFZSA-N 440.528 4.815 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(c3ccccc3Br)CC2)CC1 1559763530 GJRCMEZDLXSHIT-OTQYULQBSA-N 446.433 4.948 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 1562759246 BDUFXGGRPZRMJH-YOEHRIQHSA-N 436.375 4.517 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C)c1ccccc1 1563009827 UTZWRBFNYPXUIX-LJQANCHMSA-N 427.549 4.582 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1ccc(Br)cc1Cl)C(C)C 1563453327 FAGHYZBOGKLAHU-LJQANCHMSA-N 442.829 4.943 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 1583273938 IOJFEOPCFCVGHU-UHFFFAOYSA-N 445.475 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@@H]1OC 1587561620 FTYDXYLLOHQCGJ-IWFBPKFRSA-N 445.007 4.961 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1587723326 IRSAWXGPGSOEPL-SJORKVTESA-N 433.383 4.918 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](CCC)OC 1588283726 DFWAAIVRWVLUQK-OAHLLOKOSA-N 439.785 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)CCOC 1589250774 BRDMBJWPFNPTNR-XMMPIXPASA-N 426.630 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H](C)c1nc(C)cs1 1589251663 QADPBEVHSPOKCW-IQGLISFBSA-N 449.624 4.980 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)CC 1589505424 MFBNJVFTSQODIU-KNQAVFIVSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1594472851 JNGVCUSQFBDSCA-UHFFFAOYSA-N 448.958 4.736 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1594583145 YRPPFLDCUVXETE-DLBZAZTESA-N 437.327 4.722 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@](C)(CC)O1)C1CC1 1595026160 DSXATYJLUZGRIY-UZLBHIALSA-N 434.382 4.538 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@](C)(O)c1ccsc1 1595134334 YPWQSTOZZUKDLM-QHCPKHFHSA-N 428.577 4.778 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2ccccc2CC1)C(C)C 1595166775 XGHAMMNZOSQIFJ-RUZDIDTESA-N 444.627 4.577 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)c2cccs2)cc1 1595614130 NWWADQNIXWOOMC-KRWDZBQOSA-N 432.553 4.607 30 10 IJEE CCC[C@@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CCN1Cc1ccccc1 1597571574 GZLPSECHODRWTI-HXUWFJFHSA-N 434.609 4.679 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2c(F)cccc2F)CCCC1 1611235990 JOQMCHGENCAEFF-UHFFFAOYSA-N 437.490 4.957 30 10 IJEE C#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 1618186000 BFKJUVFCQFSMEN-UHFFFAOYSA-N 434.845 4.831 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@@H]2c2nc(C(=O)OCC)cs2)cc1OC 1621307682 RAJLMAMWIJXUMY-QGZVFWFLSA-N 436.961 4.884 30 10 IJEE C=CCCC1(CNC(=O)Nc2cc(OC)ccc2I)CCCC1 1622987342 RXMSHYMVNRAKLD-UHFFFAOYSA-N 428.314 4.948 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](C)CC[C@@H]3c3ccccc3OC)n[nH]2)c1C 1623790686 MVOXYNHQFCZWIM-OPAMFIHVSA-N 433.556 4.698 30 10 IJEE C=CC1(CC(=O)NCc2ccc(COc3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 1625711137 PADYTSZXGLVHCN-UHFFFAOYSA-N 436.552 4.695 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c1 1627583320 XTGFDTNGPMVIKZ-ZWDAVXSWSA-N 444.984 4.640 30 10 IJEE C=C(CCC(=O)OC)C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1630133626 XWUJACALMGMBQL-JOCHJYFZSA-N 440.609 4.597 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(Cl)c2SC(C)C)s1 1634293441 XPRFOQUIVWSAKH-UHFFFAOYSA-N 445.031 4.548 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2ncccc2C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634817650 FIFYFJZWNWMOBL-UHFFFAOYSA-N 449.551 4.657 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1635343152 NDQXOSIEEITVEH-QGZVFWFLSA-N 425.326 4.721 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1 1637277121 GLXRSXMYSFUUFA-LJQANCHMSA-N 434.920 4.550 30 10 IJEE C#CCN(C(=O)NCC[C@H]1CCCC1(F)F)[C@H]1CCOc2ccc(Br)cc21 1637981994 TVNCRNUYINHKPM-PBHICJAKSA-N 441.316 4.743 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccc(Cl)cc1F 1638680830 ZFHFUHJCFSDWEW-JOCHJYFZSA-N 433.870 4.810 30 10 IJEE C=CCn1c(S[C@H](C(=O)OCC)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640560898 TYMKCAKLTYEHRO-CXAGYDPISA-N 434.627 4.839 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 1641227612 FIRNCCKWZFAJFY-RTWAWAEBSA-N 444.959 4.937 30 10 IJEE Cc1cc(NC(=O)CNc2c(C#N)cnc3c(Cl)cccc23)ccc1Br 1642202247 CCVPAGNUPIIGEV-UHFFFAOYSA-N 429.705 4.881 30 10 IJEE C#C[C@@H](CO)Nc1nc(CSc2ccc(Br)cc2)nc2sc(C)c(C)c12 1642727829 LYAZORHCIWGQRH-AWEZNQCLSA-N 448.411 4.769 30 10 IJEE Cc1csc(SCc2c(C(=O)NCC3(C#N)CCOCC3)oc3ccccc23)n1 1647903699 ACPXNJKBOKWVBD-UHFFFAOYSA-N 427.551 4.540 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1Sc1nccc(Oc2cccc(C#N)c2)n1 1650617627 QXSVDFPOJJCXSO-UHFFFAOYSA-N 426.505 4.660 30 10 IJEE C#CCCOc1ccc(CNC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 1651712614 QZHQFWLHRFSCKX-IBGZPJMESA-N 431.376 4.647 30 10 IJEE N#C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2Br)CCN1Cc1ccccc1 1652079947 DNRGSKSPFFQICL-GOSISDBHSA-N 438.291 4.678 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1652322368 WKNBILORFQUGAH-QFIPXVFZSA-N 432.486 4.893 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)n(-c2ccccc2)c1C 1655719642 FSZZIJYSECWCFO-KAWPREARSA-N 442.563 4.755 30 10 IJEE C=CCN(C(=O)CN1CC[C@@](C)(C#N)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1659525213 VTTDPWLCFOJOAN-FQEVSTJZSA-N 435.380 4.871 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(C)c(Cl)s1 1661281654 DPUYGYUIZZXRKC-UHFFFAOYSA-N 438.771 4.988 30 10 IJEE C=CCOc1ccc(CNc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1OC 1662417676 HBWWCBOHBROWLG-UHFFFAOYSA-N 444.597 4.825 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)Nc3cc(Cl)cc(Br)c3)CC2)nc1 1662497064 CONSVNISJKAOJY-UHFFFAOYSA-N 449.736 4.881 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C 1664981880 JSHNUDYVATUREC-UHFFFAOYSA-N 427.379 4.618 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1OC 1668990853 XWPJLGAAJLCMOI-GOSISDBHSA-N 447.304 4.978 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(OC)cccc1OC(F)(F)F 1673832475 DZEFBYZANKVACF-UHFFFAOYSA-N 426.439 4.981 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)[C@H]1CCCc2ccccc21 1676665459 OOHPBGOTNFNVGP-XZOQPEGZSA-N 434.490 4.510 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C 1677016830 FIDSLTQEUWJOLT-HDICACEKSA-N 429.517 4.650 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1679564237 GSRLULUQPZLMAV-FQEVSTJZSA-N 432.351 4.539 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](OC(C)C)c1ccccc1OC)c1ccc(Br)cc1 1681620594 HPLRJJYKMBJVCP-PZJWPPBQSA-N 445.357 4.598 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 1683106419 GMVURRFQZWDLBM-XZOQPEGZSA-N 427.589 4.606 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cccnc1OCC 1689949284 XTWQWLKNKFRWJQ-UHFFFAOYSA-N 437.956 4.725 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H]1CC 1690041057 YMGMOCSTDCPENZ-RTBURBONSA-N 439.401 4.997 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN1CCCC1 1690059629 UHTFNOFHCSVJFH-LJQANCHMSA-N 444.023 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)[C@@H]1C 1690239347 VCSLJTWFNWHJCZ-JWPKLBNJSA-N 428.552 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N(CC)CC 1690257856 WSBTVMQMXIRRKG-KRWDZBQOSA-N 434.426 4.840 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1690289506 CPUOLVSNEOEBLJ-LEWJYISDSA-N 425.596 4.675 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cc(C)on1 1690334528 SAVNDMSUIZMPSI-UHFFFAOYSA-N 436.741 4.701 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1690470687 IPZGWDVZVQELSV-AZUAARDMSA-N 427.980 4.597 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1690511138 QRGVFBCWDSJDEV-LJQANCHMSA-N 426.605 4.939 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N(C)C 1690558689 YAPQINLDLVBOPW-NRFANRHFSA-N 432.572 4.536 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCN1CCCC[C@H]1CC 1690563621 XYGXYWILBOJODZ-HSZRJFAPSA-N 432.616 4.741 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](C)C1)C(C)C 1690581769 YLIQVBXARACZTE-PQNGQFLHSA-N 432.616 4.608 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@H](C[C@H]4CCOC4)C3)nnc2C(C)(C)C)cc1 1690681096 GAUHFAFSSOHARO-FGZHOGPDSA-N 438.616 4.832 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C)CC1 1690733508 GQFPNGHWTHNWPP-QGZVFWFLSA-N 427.618 4.693 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc(C2CC2)cs1 1705477622 QLVAZVVBJSAZOA-FUHWJXTLSA-N 435.597 4.875 30 10 IJEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@H](c1ccsc1)N(CC)CC 1705548454 HXTLSTQNNRHOJJ-JOCHJYFZSA-N 444.608 4.707 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1cccnc1)C(C)C 1705592364 IKAJQIGLXKJDOI-QHCPKHFHSA-N 431.971 4.896 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1705698267 ROPCSJQMALYYEY-UYAOXDASSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)C1 1705698593 WHVXJYZQXUTHPL-IEZWGBDMSA-N 431.378 4.535 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705814950 GFMRFHPYOHFVOC-DLBZAZTESA-N 431.378 4.537 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1705870070 BRWYSQNPKWEAKG-HSZRJFAPSA-N 426.948 4.894 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OCC(F)(F)F 1705874363 LCJUAFHVRKGWMM-IBGZPJMESA-N 436.478 4.688 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705913065 CNHYKSQOYHEMSB-NZQKXSOJSA-N 431.584 4.892 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1705945847 TUIPHMQKPRJOOK-UHFFFAOYSA-N 427.618 4.547 30 10 IJEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CCOCC1 1708879107 GNQPVLQAVGEEIM-LJQANCHMSA-N 447.505 4.802 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@@H]2C)c1 1711710680 AGUPIGOHHKZVTK-ARFHVFGLSA-N 446.393 4.891 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1722278135 PBNCMMKYWWUWDJ-QRFRQXIXSA-N 446.542 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCC[C@H](C)C1 1722281716 VMUOJMOSNZCQEZ-PZJWPPBQSA-N 444.627 4.770 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)c1nc(C)cs1 1722302979 MNGFAXIQSZQGPU-GOEBONIOSA-N 429.977 4.537 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1722456571 XUHWTCXKGSHWKG-INIZCTEOSA-N 439.412 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCCSC 1722470316 SJCGDCVMIXFGDH-QGZVFWFLSA-N 425.421 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCSCc1ccccc1F 1722474368 KMTOKXYACKSWTP-HSZRJFAPSA-N 440.613 4.995 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCC2)CC1 1722546979 FYHZRFZJHBPGFR-UHFFFAOYSA-N 426.779 4.679 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1722570402 ZXVGNALWEQRJMA-MRXNPFEDSA-N 440.947 4.804 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1722594603 AOPHUVCVIDPIKH-OALUTQOASA-N 432.572 4.850 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1ccncc1Cl 1722656369 ZOMSMLSALYLLAZ-UHFFFAOYSA-N 441.926 4.501 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@H]1C 1722657238 VSFXTEAPKCQLPD-HYBUGGRVSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1Cc1ncn(-c2ccccc2)n1 1722661596 KZPQQJCRAQRING-GOSISDBHSA-N 433.585 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCCC[C@H]1C 1722669131 NJOJFODTTGHVHN-OAQYLSRUSA-N 432.616 4.880 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1cc(C)cc(OC)c1 1722676688 IBYOAAFVTBITPR-UHFFFAOYSA-N 443.551 4.842 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722734151 CGRAMAFYHHRQCD-ZBFHGGJFSA-N 449.045 4.940 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)S[C@H](C)C1 1722734239 ABINWUHXXGCBCW-IAGOWNOFSA-N 425.627 4.743 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCSC(F)(F)F 1723974707 CLVBPFNLFJYXTP-ZDUSSCGKSA-N 443.470 4.550 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 1740565480 AVMUUBHLUPNKJN-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCCNc1ccc(C(F)(F)F)cn1 1740731100 OXUXKFLYHZIPFK-JOCHJYFZSA-N 446.521 4.844 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2)CC1 1740761097 MAIVKZCYZNBHRP-ZJSXRUAMSA-N 437.632 4.565 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)C1CCC(C)CC1 1740764084 ULANXCNPULBXGI-FQQJKYKHSA-N 438.616 4.896 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCOc1ccccc1 1740778040 BLAUCUPJHVJADA-UHFFFAOYSA-N 430.350 4.517 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740789186 ICZFQOFWEKKFFR-NVXWUHKLSA-N 439.387 4.848 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC1CCCCC1)c1ccccc1 1740856157 QSIYETRYZCUHOC-QHCPKHFHSA-N 435.616 4.777 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nccs1 1740856393 SOAWIATZBVBJDI-UHFFFAOYSA-N 435.395 4.723 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1740863899 HXVZHSWKXKZABM-IRLDBZIGSA-N 437.636 4.823 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C 1740887765 CLWSBYKBZVXYLX-MRXNPFEDSA-N 439.050 4.758 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1noc2c1CCCC2 1740939281 UECQZHUWHAKREV-UHFFFAOYSA-N 449.599 4.797 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1748721221 FAIRMENSBSBTEM-HYBUGGRVSA-N 429.568 4.664 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1748724664 GYLPCNQRQDPEBR-VWLOTQADSA-N 444.627 4.912 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@H](C)C1 1748736045 WQBWAOIORSIOCG-HZPDHXFCSA-N 431.378 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](OC)C1CC1 1749059943 GFCUSHCVJLBRQE-ZEQKJWHPSA-N 436.600 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(c2ncc(C)s2)CC1 1749119275 PSCLFKFZWDXMRM-AHRSYUTCSA-N 429.634 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)CCC 1749146972 UQGDZZFVWOCTMK-GOSISDBHSA-N 427.412 4.723 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(SCC)c2)CC1 1749292684 ULINICHTOZEJBJ-XMMPIXPASA-N 442.629 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](Oc2ccccn2)C1 1749370926 SYBULQNXKDDFBY-NRFANRHFSA-N 447.583 4.533 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 1749430351 RZSCXRPWKPPRFV-UXHICEINSA-N 431.625 4.841 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCCCC1 1749447368 DLADZYWMXXOYQG-UHFFFAOYSA-N 433.394 4.989 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CCc1nccc(C(F)(F)F)n1)C1CC1 1749510636 MVXCCJXTBRVXKL-UHFFFAOYSA-N 448.880 4.805 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1749520901 DGNHFENPIRFGMY-CLOONOSVSA-N 425.596 4.673 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)CCC(C)C)C1 1749703319 GHSNCDJFPBNQQW-FDDCHVKYSA-N 432.996 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1760115139 ZOEDFEQJVYFQBQ-GOSISDBHSA-N 437.588 4.983 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(Cl)cn2)CC1 1760399285 HRHOSOGBAFAXJC-UHFFFAOYSA-N 445.354 4.523 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1760448838 RBVPAEIEBMOWEA-UHFFFAOYSA-N 429.515 4.511 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCC1CCC(OC)CC1 1760459600 YZKUDYGMSDGWOG-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCOc1cccc(C(F)(F)F)n1 1760461334 PDTDMTPLLRKXCU-UHFFFAOYSA-N 442.445 4.541 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCc1nccs1 1760481863 JSNAKJSBJQHMMO-UHFFFAOYSA-N 436.972 4.885 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCC(F)(F)C1 1760499109 OLVPKFSTBNXLAM-QFIPXVFZSA-N 437.538 4.934 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@H](C)C1 1760501892 GTTDGNYQGOGRDW-WOJBJXKFSA-N 426.605 4.697 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1760510747 MXDKQCVWYHTYSD-YRPNKDGESA-N 429.609 4.594 30 10 IJEE CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C#N)CC1)c1cccnc1 1760878023 GUJXQLKFIFGNJY-QHCPKHFHSA-N 432.547 4.583 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCS1 1761357548 FBWQBZYCBVWPMK-STQMWFEESA-N 440.436 4.793 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CCc1csc(C(C)(C)C)n1 1761358666 BYPOINZLNWTWAJ-OAHLLOKOSA-N 426.565 4.819 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(N2CCCCC2)c1 1765512590 BNXPYERAMAYRBX-HXUWFJFHSA-N 443.599 4.875 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1766586330 IBVODJPCQQETLR-KRWDZBQOSA-N 448.537 4.716 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 1772789549 AXGDFKHXILGJST-LJQANCHMSA-N 425.412 4.553 30 10 IJEE Cc1cc(Br)ccc1Nc1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858438250 ZBYLNFVOTKFANJ-UHFFFAOYSA-N 443.326 4.569 30 10 IJEE COc1ccc2cc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)oc2c1 1859750053 HYYCEDVBUGMUAB-UHFFFAOYSA-N 437.459 4.916 30 10 IJEE CCOc1ccccc1OCCSc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1 1860466442 UUWVINWZOYGNRR-UHFFFAOYSA-N 427.913 4.944 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 1861190909 NROOCSNDVQJLHD-TZIWHRDSSA-N 436.040 4.533 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861216408 GIFVDCXCOYMOBN-RPBOFIJWSA-N 443.676 4.906 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCCN(C)C 1862442101 GGIRBYZPSRNMBG-NRFANRHFSA-N 426.944 4.569 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 1862445560 YQAVFGNEWPXGBT-IBGZPJMESA-N 434.319 4.734 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOc2ccccc2)c1 1862474913 YNLWDKWZDQSBRG-XMMPIXPASA-N 443.499 4.661 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862492728 YDLIURNOACQGHM-NRFANRHFSA-N 432.432 4.583 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1cccc(O)c1 1862589286 IEPSJDFPDOJQSD-JOCHJYFZSA-N 449.890 4.572 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2Cl)cc1 1862595701 OQSXGKRNBJCRHA-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1F 1862617845 YZIZPIOPUFHISO-QFIPXVFZSA-N 438.543 4.653 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(F)cccc1Cl 1862630914 DOZHHRUUGOVAOC-JEOXALJRSA-N 431.847 4.585 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(O)c1 1862639175 RYOMKMUOZDHGLK-OAQYLSRUSA-N 427.472 4.699 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 1862686755 AUINOXFXOQMNFO-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2Br)c1 1862708155 NDYQAPFPONCPRA-LJQANCHMSA-N 444.325 4.692 30 10 IJEE CCOc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2ccc(C#N)cc2)C1=O 1863129233 DIGRSNRGCVFEIH-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccs2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863597185 XZSCTRGERPFPII-UHFFFAOYSA-N 441.553 4.887 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1cccs1 1864484928 MFNCVAVSHXHGJK-IBGZPJMESA-N 430.618 4.605 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](c1ccc(F)cc1)C(C)C 1868842204 BAURSGIGUXRYSQ-RPWUZVMVSA-N 440.534 4.633 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(C)C 1869015131 ZEHHPTCCXJSNRT-SFTDATJTSA-N 449.433 4.920 30 10 IJEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2C[C@@H]2CCCO2)c(C#N)c(C)c1C 1870262217 DTPHZQPEHIDYTE-FQEVSTJZSA-N 441.597 4.546 30 10 IJEE C=CCOc1cn(CCCOC)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1870810900 XHCMFTIHTSVZQH-UHFFFAOYSA-N 430.854 4.734 30 10 IJEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc(C)c(F)c2)cc1=O 1870812866 MIBSJCZUSSNMEK-HSZRJFAPSA-N 442.918 4.860 30 10 IJEE C#CCOc1cn(Cc2ccccn2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871007558 IGNXHGKFVHFHEZ-UHFFFAOYSA-N 435.527 4.507 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H](O)c3ccc(Cl)cc3)CO4)C2=O)o1 1871353263 OKWJPGMVHSJUAC-ZREWSDFOSA-N 437.879 4.743 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(Cl)c4)ccc3C2=O)c1 1871454228 FAAYDPDCARHPIC-JJFYIABZSA-N 435.863 4.982 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1871971134 AZCMKGNGFRBCNX-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871997226 KYDFHILGOJCSQG-PGRDOPGGSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872106913 RXZCQMXUDUEDLB-XMMPIXPASA-N 445.544 4.725 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872211897 OXWUHGPMUKFDKG-QFIPXVFZSA-N 446.588 4.963 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276495 KNLCOQJRHBLOAY-UHFFFAOYSA-N 440.499 4.749 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)oc2c1C 1873934014 NRZSUOVUTHRHID-UHFFFAOYSA-N 435.564 4.992 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCO)n2/N=C/c2ccc(C(C)C)cc2)c1 1874247937 FGWMIPQWHGHLPL-KOEQRZSOSA-N 438.597 4.688 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874278581 WTYXGDUDUPRVTM-YYHBXHNPSA-N 447.608 4.875 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCCC 1874296593 JCRKCCPROWYPEK-XQNSMLJCSA-N 437.525 4.726 30 10 IJEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cn(C)c2ccccc12 1874310925 UZEIPLWLUMQIBC-PCLIKHOPSA-N 433.581 4.948 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(OC)c(OC)c1 1874327636 CUKLSSCTGLBVFA-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE Cc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874334246 KGJXTVJBYZLNOZ-RVWJGDDESA-N 447.608 4.794 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccncc1)Nc1ccccc1 1874365066 JOYVTODJTXXEGX-AFUMVMLFSA-N 448.939 4.607 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1C 1874369549 GBFIBOBFPXYZIO-YDZHTSKRSA-N 428.945 4.834 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(OC)c1 1874369596 IDYKEHFVCQQHGU-YDZHTSKRSA-N 444.944 4.535 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccco2)c1 1874425418 IDUXCCJXTYMQAS-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1C 1874434701 SQBPCBAXXBANMT-VULFUBBASA-N 429.549 4.550 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(O)c2)c1 1874452725 JWSWPCRZIIAEII-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1O 1874454642 RQYYSLYENWFHKG-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)N(CC)CC)nnc2C2CCC2)cc1 1874493442 MOUCPVGFTOUJQQ-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccccc1F 1874503993 FICVNGIOZYEVGC-ZVHZXABRSA-N 425.533 4.545 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(C(C)C)cc1 1874507363 YYCIQGZKKZEOTH-YDZHTSKRSA-N 426.542 4.908 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(C)cc2C)cc1OCC 1874563025 GGNQCGBJQYXOJV-ZVHZXABRSA-N 440.569 4.832 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1 1874698790 OGSOLNIOJTVUIK-PKNBQFBNSA-N 442.467 4.957 30 10 IJEE COCC(=O)Oc1cc(/C=C/C(=O)c2cc(C)ccc2C)c(Br)cc1OC 1874703296 IYSCMAHRHQYATE-BQYQJAHWSA-N 433.298 4.522 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)Cc1ccccc1F 1874706551 NMYXCVRYFBPREB-RMKNXTFCSA-N 448.446 4.650 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875109541 SLVZUQVDQPKSLF-VQHVLOKHSA-N 427.453 4.768 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1sccc1C 1875147891 QMNSWPPKBKSYSM-ZZXKWVIFSA-N 436.485 4.952 30 10 IJEE CN(CC1CCN(C(=O)c2cc3ccccc3n2-c2ccccc2)CC1)c1ncccc1C#N 1891488750 PDBROZHMECAJGK-UHFFFAOYSA-N 449.558 4.886 30 10 IJEE N#Cc1ccc(CNS(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1F 1891679341 XCMROGMSHXHDEU-UHFFFAOYSA-N 434.414 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1911090978 BDIUVWHWPBJKAG-GCKMJXCFSA-N 436.557 4.900 30 10 IJEE C[C@@H](NCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OCC#N)cc1 1978829950 JBNHVQKZVDHVJR-LJQANCHMSA-N 441.531 4.778 30 10 IJEE CCOc1cc(C=C2SC(=NC3CCCC3)NC2=O)cc(Br)c1OCC 2040448135 BVJRDEVPNJLDCF-UHFFFAOYSA-N 439.375 4.749 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)ccc(Cl)c1F 2041205403 QNOQMGZITQWDPX-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE N#CCCn1cc(C=C2N=C(c3ccccc3)OC2=O)c(-c2ccc(Br)cc2)n1 2053622247 RNDKRJZKSOHLPE-UHFFFAOYSA-N 447.292 4.571 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1)c1cccc(Br)c1 2072712740 QLALSXLGFWFOCA-HXUWFJFHSA-N 449.304 4.623 30 10 IJEE C#CC[C@@H](C[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076094710 HRRBRARCNHUUOF-ZEQRLZLVSA-N 439.644 4.703 30 10 IJEE Cc1cc(O)c([C@H](C)n2nc(C(C)(C)C)c(C=NO)c2I)cc1C 2080012931 WGMCBXFNUBBDND-LBPRGKRZSA-N 441.313 4.525 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441088 BLJXZCDZMVCLIY-GXTWGEPZSA-N 426.330 4.955 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2118192582 QKNNCVOSXAPYGX-UONOGXRCSA-N 426.330 4.732 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)c(Br)c2F)C1(C)C 2127899031 JOJAZJAOJKQDOR-OCCSQVGLSA-N 426.330 4.811 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(Br)cc(F)c2C#N)C(C)(C)C1 2132481284 FBPBMXXWBQOJLA-LBPRGKRZSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Nc3cc(Br)cc(F)c3C#N)C[C@@]2(C)C1 2172915098 ZFLXXCLNGIVNSR-SIFORAMQSA-N 438.341 4.907 30 10 IJEE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ncc(Br)cc1C#N 2174808737 RHMPKSQOLROYFF-UHFFFAOYSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(Nc3cc(Br)cc(F)c3C#N)CCC[C@@]2(F)C1 2182455389 XNNQLQKUZHWTLF-MOPGFXCFSA-N 442.304 4.753 30 10 IJEE N[C@@H](C#Cc1ccc(Cl)cc1)c1ccc(Br)cc1I 2231092923 ZWKGYXINPMPSGI-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@@H](N)C#Cc2ccccc2Br)C1 2235747549 QTMBVNVSWCJFLX-QXAKKESOSA-N 435.406 4.992 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2235748056 WDXPZPZDMIMJCS-OALUTQOASA-N 433.390 4.711 30 10 IJEE CCN[C@H](C#Cc1ccccc1Cl)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2252754794 QMNMAZPDQKGTAK-PKTZIBPZSA-N 442.987 4.780 30 10 IJEE CCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)c1 2255832177 INHAKAHVHIMLKP-UHFFFAOYSA-N 433.279 4.667 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(F)c(F)c(Br)c(F)c1F 2267784528 ISSFZNGVSRAOSN-GLEZIHRCSA-N 442.247 4.898 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CC[C@]2(C)CCOCc2ccccc2)c1 2282688769 YZANJNVDIZQWNM-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c(O)c2)OC1(C)C 2282879311 RPVUKFYZGHNZFO-UHFFFAOYSA-N 445.324 4.523 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 2296082463 FQBWXBMYQJLFMV-PXNSSMCTSA-N 425.550 4.646 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](O)C#Cc3cccc(Br)c3)C[C@H]21 2296232122 KRKHZEJSVWGOQL-XEYPJELSSA-N 434.374 4.587 30 10 IJEE CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C#Cc1cccc(Br)c1 2296283910 LSSGYPQAAULOIR-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@@H](N)C#Cc3ccc(Br)cc3)cc21 2296288964 MQFYUYXYIOBEOY-IBGZPJMESA-N 427.342 4.798 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2302802050 DZCMSCQNGZWJLZ-BBWFWOEESA-N 436.557 4.900 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@@H]1C[C@H]2NC(=O)OC(C)(C)C 2305402928 KAIDLQCINXETNM-YCFYUYSTSA-N 428.573 4.601 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Cl)cc(Br)c1F 2315462692 JDAXGXXUGLLMRQ-GDBMZVCRSA-N 433.749 4.809 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C(C)(C)C)ccc1OCc1ccc(F)cc1 2321908564 IVFQINZPSIJNTB-UHFFFAOYSA-N 428.533 4.863 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 2322278355 NOLLJEJDTXKGMI-UHFFFAOYSA-N 439.541 4.666 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)N[C@H](C)c2ccccc2)cc1OC 2322341272 RCJKQLKGZDYFHV-LJQANCHMSA-N 445.515 4.856 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 2322436680 XVPAZRJWHHEUPP-FQEVSTJZSA-N 437.879 4.743 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)NCc1ccco1 2323919602 OZOKHVHAUYTKEY-UHFFFAOYSA-N 445.515 4.916 30 10 IJEE CCCCN(CCO)Cc1c(O)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2324178701 AHVJJOCQALDOLM-UHFFFAOYSA-N 436.335 4.910 30 10 IJEE COc1ccc(OCc2nnc(SC)n2N=Cc2c(OC)ccc3ccccc23)cc1 2328331324 KVZPUXAHIHPUKD-UHFFFAOYSA-N 434.521 4.632 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(Cl)cc1 2330449689 YJZWPJMTSWFWFY-UHFFFAOYSA-N 434.974 4.511 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)ccc1O 2330961513 HJCZZGHZRVKAJP-SFHVURJKSA-N 444.944 4.672 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(O)c2)cc1C 2331030034 VIDKUDFEYNWRFX-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1)c1ccccc1 2331096990 QJDAPRQDEVJBMI-GOSISDBHSA-N 433.581 4.787 30 10 IJEE COCc1nnc(SCc2ccccc2C)n1N=Cc1cccc(Br)c1 2331555106 VJBGAWSZZDDDOT-UHFFFAOYSA-N 431.359 4.670 30 10 IJEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1ccc(C(C)C)cc1 2331659472 JAIBPQLDZQBMPA-UHFFFAOYSA-N 429.634 4.977 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1c(F)cccc1Cl)Nc1ccccc1 2331717533 FLVQFUHVTCWZFM-UHFFFAOYSA-N 429.908 4.561 30 10 IJEE CCCN[C@@H](C#CC1CCC1)c1cc(I)ccc1Br 2337531165 JLTNVKHMASABNH-INIZCTEOSA-N 432.143 4.898 30 10 IJEE C[C@@H]1CCC(=NO)[C@H](OCc2ccc(I)c(Br)c2)C1 2349837022 POCHXGSNWPSQLN-YMTOWFKASA-N 438.103 4.589 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccc4c(c3)OCO4)cc1)C2=O 8823907 NJRXGRXBUJZHHZ-KSEXSDGBSA-N 430.412 4.649 30 10 IJEE CCOC(=O)COc1c(/C=N/c2cccc(Cl)c2)cc(Br)cc1OC 8887787 CPQBCOAVFGTSEX-UFFVCSGVSA-N 426.694 4.804 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OC)N2 20749268 SSHBKEXWFGRVLJ-UMEGOILYSA-N 436.577 4.884 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccccc2)n1)Nc1c(Cl)cccc1Cl 21036793 HVHUZNBYCGIGAT-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 34954431 GJSGAUMUWJPNKR-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC)c(OC)c1 40097465 MZQSEBGLEMGAQP-QFIPXVFZSA-N 435.476 4.828 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccncc4)ccc3C2=O)c2cc(OC)ccc21 41294244 MPQJQDIERBGXJC-MSXFZWOLSA-N 440.455 4.900 30 10 IJEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 41432600 YEWZGZGRQBPILN-UUYOSTAYSA-N 445.427 4.642 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 59775527 NBJNRQOJPMMUEY-UHFFFAOYSA-N 433.364 4.846 30 10 IJEE CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cc(F)cc(F)c4)CC3)c2c1 64473966 OHCHUUNUOQPUPC-UHFFFAOYSA-N 436.462 4.638 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccc(F)cc1 169936609 VRJXIGZECCZHRT-JOCHJYFZSA-N 428.529 4.527 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccc(O)cc1 169960773 PMRUIQHPYMCOLA-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)c1 169960986 FIQFNCXZBGBDNZ-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)s1 170059594 JQNFGYNYFYCRNJ-SFHVURJKSA-N 439.924 4.587 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)cc1C 170098253 VBICPOXJFQPBCN-HXUWFJFHSA-N 446.484 4.989 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@@H]2c2ccco2)c1 170098460 OXKWOENFJRYNDH-OAQYLSRUSA-N 427.460 4.864 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCOC(C)C)[C@H]3c3cccc(C)c3)oc12 170139970 KGWVNQMAEIQFDJ-QFIPXVFZSA-N 449.503 4.753 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OCC)c(OC)c1 170216447 ZJMUAUBMGKGTMN-NRFANRHFSA-N 427.472 4.530 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccc1 170231848 GEXHPNYPTVCXEO-HXUWFJFHSA-N 448.544 4.733 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2F)cc1 170249455 KZZKGZNBLPDGJQ-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1ccccc1F 170253172 GSROSGSZMXWFSV-NRFANRHFSA-N 427.472 4.611 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(O)c2)cc1 170259654 IXIAPBWKXAGQOZ-GYCJOSAFSA-N 441.483 4.807 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccco1 170295192 TXVLAKOYCWUCEV-SFHVURJKSA-N 437.323 4.507 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccc(O)cc1)c1ccco1 170448162 MHGYYAZGYYHWOG-GOSISDBHSA-N 445.349 4.667 30 10 IJEE CN(C(=O)c1ccc(OCc2ccccc2)cc1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 404956889 YOTUXMHEDBSVFZ-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCC2CCC(C#N)CC2)c1 441144701 GPPPXUDOUXPIEK-UHFFFAOYSA-N 444.535 4.616 30 10 IJEE CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccccc2SCCC#N)o1 442116447 RBFGNYDVCQJYCE-APWZRJJASA-N 425.554 4.786 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC1CC(c2ccccc2)C1 484067538 AIYHGKLMRBVYHK-UHFFFAOYSA-N 425.488 4.660 30 10 IJEE CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(C)cc1 488889541 BOBCNJNSFDJOER-AWEZNQCLSA-N 437.594 4.815 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 502499712 HDLRCTSJRCPYPX-FMGCXHALSA-N 430.548 4.662 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)O[C@H](C)C2 503868176 CDXHTTKRBRBFRB-OUPRXKBMSA-N 428.532 4.700 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 504097151 USJVQZKTGGDXDP-HSZRJFAPSA-N 441.915 4.792 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)Cc1nccs1 508700310 SDTPUOSSUVOSGF-UHFFFAOYSA-N 435.528 4.942 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(SCc3ccco3)C2=O)c1 526668913 ZCLAGEPPUGOTCH-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2cccc(C(=O)OC)c2)c1 526826505 SIOGQWCZBQTBRK-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 548948321 KMDVJFKHEPFARX-JOCHJYFZSA-N 443.551 4.608 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 549639091 GUMAMVFJRLYHRK-QHCPKHFHSA-N 441.535 4.656 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 549733642 OEYRWDISMXFUGB-UHFFFAOYSA-N 437.519 4.725 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 557610146 CMKYLSHNAWPQOR-QTGUNEKASA-N 437.584 4.895 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(Oc2ccc(F)cc2)CC1 558984752 KBIDRTDGPNXNOD-UHFFFAOYSA-N 436.531 4.663 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](COCc2ccccc2)C1 579737553 NSHCDFVBBQHQQS-QPPBQGQZSA-N 430.552 4.574 30 10 IJEE C=CCN(C(=O)c1cccc2ncccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 648092691 NZOYKSGKRWUXSO-UHFFFAOYSA-N 449.557 4.595 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 669807697 CNOYIHCGEMLUML-RDGATRHJSA-N 432.568 4.690 30 10 IJEE N#Cc1cccc(COc2ccc(NCC(=O)Nc3ccc4c(c3)OCO4)cc2Cl)c1 728052423 GVLUCHKWPVFRRB-UHFFFAOYSA-N 435.867 4.570 30 10 IJEE O=C(/C=C/c1ncc(-c2cccc(Br)c2)[nH]1)c1ccc(C(F)(F)F)nc1O 731937099 FNZYSWOKQDPOOX-FNORWQNLSA-N 438.203 4.855 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3csc(C)n3)s2)c1 733806279 YFXFPXSHOXFRAP-INIZCTEOSA-N 426.567 4.860 30 10 IJEE CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(Cl)ccc1OCC#N 735305899 FADORUKOSYZUHA-UHFFFAOYSA-N 425.838 4.510 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccco2)n1)N1c2ccccc2Sc2ccccc21 1084068465 BJAYYLSTBWZQMF-UHFFFAOYSA-N 448.533 4.765 30 10 IJEE C=CCN(C(=O)c1ccc(-c2csc(C)n2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1128003244 KHZQZYGPYADETC-HSZRJFAPSA-N 434.561 4.921 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)c2nc3cc(Br)ccc3o2)cc1OC 1132210394 ACQVXGBLPNIOLW-POHAHGRESA-N 443.297 4.840 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)CCCN1C(=O)OC(C)(C)C 1136325135 JTDAGQXWULIRBR-DEOSSOPVSA-N 434.496 4.554 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 1136509935 HIQDDTWGCLURGF-UHFFFAOYSA-N 449.532 4.864 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CSc1nnnn1C1CC1)c1ccc(C)c(C)c1 1136698577 OLCOQISUWBRAJZ-UHFFFAOYSA-N 449.580 4.515 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2ncc(-c3ccccc3)[nH]2)s1 1177509663 BWOVRUJPJDXQBQ-UHFFFAOYSA-N 433.002 4.588 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1178661602 SBXAXFXCIVKDDP-UHFFFAOYSA-N 440.952 4.789 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)c(Cl)c1 1185466137 BETMWCIDOGJSNR-UHFFFAOYSA-N 427.751 4.575 30 10 IJEE C#C[C@H](NC(=O)Nc1cc2sc(C)nc2cc1OC)c1ccc(Br)cc1 1215075361 RNOUVULRTRLXIX-AWEZNQCLSA-N 430.327 4.872 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 1230468043 FALRUJLDFUSICK-BHIYHBOVSA-N 437.353 4.634 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1)c1ccc(Br)cc1 1252459296 QCBITKPDKQTQJR-FUHWJXTLSA-N 429.362 4.559 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(F)c(Br)cc2OCC)c(OC)c1 1274713924 OPJQQIWOWCNKIE-UHFFFAOYSA-N 438.293 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(Cl)nc1 1286272866 CCHBGPQSRIEEBL-KRWDZBQOSA-N 444.970 4.907 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOC)CCC1 1286283384 RNLWTZFQTRMUQK-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 1286319114 VZYGERPYRUFBJG-IBGZPJMESA-N 445.405 4.762 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCCS1 1286378989 BDLJRHQSDCBBRM-LJQANCHMSA-N 433.021 4.607 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1286503767 KFONJEMMRMFTES-QGZVFWFLSA-N 425.627 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1286562912 HOWPPZPHTVQHCR-GFMPLVLUSA-N 438.616 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC1CCCCCC1 1286565177 BORVWWPRZGUKHQ-UHFFFAOYSA-N 427.549 4.995 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(COCC(F)(F)F)c1 1286571997 WNCJOVXURKIYBZ-UHFFFAOYSA-N 433.478 4.803 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)[C@H]1C 1286588318 BEIUNYCOFWJGAR-CHWSQXEVSA-N 425.371 4.753 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1286648990 OJVLSGRRLSDTRM-DNQXCXABSA-N 435.660 4.978 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC)[C@H](C)C1)c1ccccc1 1286679813 TXUDMGJKUKGMPN-GGAORHGYSA-N 430.600 4.539 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC2(CCC2)C[C@@H]1CC 1286690783 PHNVNYDBWJYEPI-SFHVURJKSA-N 427.618 4.785 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1286740126 YSOPHLOKJPCSIE-LVXARBLLSA-N 437.632 4.831 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2(F)CCC2)C1 1286804992 NSWYMVAQOPTICF-KRWDZBQOSA-N 434.943 4.671 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 1289624889 OYCQBUPICHRWSK-GOSISDBHSA-N 425.554 4.709 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1291014386 CCBVKVLLLSGBDV-ZRZAMGCNSA-N 448.659 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@H]1CCO[C@@H](C)C1 1300321478 NFKKDFHVIADQGW-FDFHNCONSA-N 438.616 4.952 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1300372781 LBNKNMKUUCYRAE-RBUKOAKNSA-N 445.032 4.890 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300373261 TZIQHUIICRNFCI-QFIPXVFZSA-N 448.640 4.930 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1csc(-c2ccco2)n1 1300446763 SCVBYLFHVVOGDM-UHFFFAOYSA-N 427.892 4.572 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC1(C)C 1300626840 XPFPZFOQJZAOCE-UXHICEINSA-N 443.636 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CCC1CCN(CC(F)(F)F)CC1 1300905988 HXAMBBQXAQPXFZ-UHFFFAOYSA-N 439.526 4.913 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2c(CC)noc2C)CC1 1301134239 GNAOIOVBLUXIFC-UHFFFAOYSA-N 441.963 4.820 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCC=C(Br)C1)c1ccccc1 1301168710 UMWOXMXBFRPRPG-GOSISDBHSA-N 431.378 4.663 30 10 IJEE C=CCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1301217850 GJBZHGNQUVXGDD-IBGZPJMESA-N 445.354 4.586 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1301259220 ICKHZFWGEXDYFB-RXVVDRJESA-N 430.618 4.631 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC1CCC(OC)CC1 1301279188 YOLNAOVNFBKHLM-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1c(C)noc1C 1301351254 NUHHYBDZGSIUNO-OXJNMPFZSA-N 439.535 4.522 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Br)s2)n1CCOC 1301356818 DALWHQUZEQWNTH-UHFFFAOYSA-N 439.404 4.670 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2nc(C)c(C)s2)C1 1301538955 MRBSGJPYUPVHME-LEWJYISDSA-N 437.613 4.723 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1301601203 OGWTVRKJJLBVPM-HNNXBMFYSA-N 441.479 4.551 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCC(F)(F)C1 1303063582 GQLCWAZFTQZONG-QGZVFWFLSA-N 445.514 4.875 30 10 IJEE C=CC[C@@H]1N(CC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)CCCC1(C)C 1307729993 QKOBYCRETWZMEI-FQEVSTJZSA-N 429.586 4.833 30 10 IJEE C=CCN(C(=O)c1cc(C)c(C(N)=O)cn1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1353539632 ZPGPPYCZIUZWDI-UHFFFAOYSA-N 447.347 4.752 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(N3CCCCCC3)c2)CCCN1C(=O)OC(C)(C)C 1353895845 ZCRBCELBROGDMG-RUZDIDTESA-N 425.573 4.799 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 1355634330 BVUMDKRNLWNBHP-UHFFFAOYSA-N 443.478 4.937 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C(C)C 1358871898 LUFWMJDFLJQHDN-NLWGTHIKSA-N 432.996 4.817 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@@H](SCC)C1 1358908589 BZKWXQXYIXVPEQ-HXUWFJFHSA-N 440.613 4.632 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCCOC1CCCC1 1359016600 HINGPUJOTLOGNZ-HSZRJFAPSA-N 440.563 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(=O)N(C)C)CCCC1 1359109399 ZLCHVLNJNJKGSM-UHFFFAOYSA-N 447.986 4.789 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC(c2ncc(C)s2)CC1 1359130067 XMLHYHPTOZYNRU-UHFFFAOYSA-N 437.613 4.995 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1Cc2ccoc2CC(C)(C)C1 1359133944 FNOSIEIUQCUWDO-UHFFFAOYSA-N 438.547 4.783 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2nccs2)CC1 1359182663 OYZIRKUWSOEANA-UYAOXDASSA-N 429.634 4.688 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359199662 CVIYFICWQFGXLQ-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1cc(C)oc1C 1359235032 LFUKPOMKNFBNSW-NRFANRHFSA-N 435.355 4.992 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@@H]1C)C1CC1 1359250305 HDOMFGNUPBUJQM-SLFFLAALSA-N 443.636 4.984 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(F)(F)F)C1 1359313010 FQALPKFRSXRJHV-IBGZPJMESA-N 445.489 4.696 30 10 IJEE C=CCN(C(=O)/C=C/c1ccsc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1435900351 OBNYPBXMBKKZMT-ZGKFYVQTSA-N 437.483 4.969 30 10 IJEE Cc1ccccc1-n1cc(COC(=O)c2ccc(Sc3ccccc3C#N)cc2)nn1 1436032294 BIJPQXADOWHSSE-UHFFFAOYSA-N 426.501 4.956 30 10 IJEE C#CCN(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)[C@@H]1CCCc2ccccc21 1439629997 ZRXIBAATOVORDE-HSZRJFAPSA-N 428.557 4.831 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 1451299697 IGTNHUKPKTVZHT-JOCHJYFZSA-N 438.524 4.544 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1460845102 UEWILJUJKMSOLE-URXFXBBRSA-N 447.579 4.907 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1461528916 JQJXLGFONLSRIE-QVAUAOJNSA-N 432.586 4.668 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1465025037 UICVISYNPZMQPZ-UHFFFAOYSA-N 429.586 4.621 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc(OC)c1OC 1465051528 ZAMWLZSDNZUBSV-UHFFFAOYSA-N 437.462 4.839 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1 1465529026 DNUXASZCVYITQP-SVFBPWRDSA-N 434.584 4.934 30 10 IJEE C=C[C@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1)c1ccccc1 1469843078 DAOONXAZFFQUBO-SWUCNREESA-N 442.600 4.657 30 10 IJEE C=CCCC1(CNC(=O)N2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCCC1 1470796007 YAMRHZNSSUOBMI-HXUWFJFHSA-N 449.636 4.713 30 10 IJEE COC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 1476083294 FUBKSPNVMVYSKD-NRFANRHFSA-N 431.492 4.738 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C)c1ccc(F)c(F)c1 1476720495 KZCQCSMXYUWULJ-OAQYLSRUSA-N 442.466 4.501 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Br)c(Br)c1)c1ccc(F)cc1 1478894406 YERGIPSMIZAZJK-MRXNPFEDSA-N 440.110 4.524 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)c1ccc(Cl)cc1F 1478900796 OGJRMFZIQVGYEU-NHCUHLMSSA-N 426.875 4.692 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 1479060898 PWEDLRNWNPRUAF-OAQYLSRUSA-N 428.960 4.716 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cscn1 1507557818 BPDWACYBILBOCP-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@@H]1C 1507747227 BPYZBAYLKMSYNV-MOPGFXCFSA-N 436.581 4.718 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 1507754481 DPZSWSGZDBKMKH-UHFFFAOYSA-N 435.424 4.719 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1)c1ccccc1 1507929530 QNPPRDNKQSATEU-OAQYLSRUSA-N 439.604 4.505 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1507935780 UNIOTSFBAYZCGN-UNMCSNQZSA-N 445.007 4.742 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[S@](=O)C(C)(C)C)C1CC1 1507987787 CGFFHXHEDDSZAH-JTBPQFFMSA-N 446.686 4.833 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCO1)C1CC1 1507989224 YEXNJFBPEWQVMG-HXUWFJFHSA-N 435.341 4.571 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCOC1 1508008501 PBFNOYNHUGPJAF-SFHVURJKSA-N 426.561 4.689 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)c1ccsc1 1508930190 BJHNRQDRQDDANR-XMMPIXPASA-N 433.581 4.536 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C 1512418377 FQQYONJJECNKMZ-HZPDHXFCSA-N 440.473 4.565 30 10 IJEE C#CCOc1ccc(COC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 1515073676 YWEBYAINCSSDPB-UHFFFAOYSA-N 430.485 4.884 30 10 IJEE COCCN(CCC#N)c1nnc(CC2CCCC2)n1Cc1oc2ccc(F)cc2c1C 1519167429 CESQZABIZFTPRQ-UHFFFAOYSA-N 439.535 4.619 30 10 IJEE N#Cc1ccc(C2=CCN(c3nnc(-c4cccnc4)n3CCCC(F)(F)F)CC2)cc1 1521082071 ADGLEIOYSOIBJG-UHFFFAOYSA-N 438.457 4.848 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cccc4cnccc34)C[C@@H]2C)cc1OC 1525016144 PBVXOYAZZDYNIV-XADARROHSA-N 443.547 4.559 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1 1525235337 BPMZXQYJJMKRHH-GMQQYTKMSA-N 425.576 4.601 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1526902985 CKHMICQWFDISFV-HXUWFJFHSA-N 445.523 4.647 30 10 IJEE C#CCN(C(=O)CCOc1cc(C)cc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1529627733 WLJCZDASZOOBEX-OAQYLSRUSA-N 442.353 4.820 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 1534850968 STNVLCYEMGSELO-UHFFFAOYSA-N 438.524 4.591 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)OCc1cn(-c2ccc(Cl)cc2Cl)nn1 1536295531 XXWDZYCAMWUAGZ-UHFFFAOYSA-N 434.279 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C)C1 1539618983 CMFWVXOKMCRDTH-QRFRQXIXSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccccc1C 1539644301 OBPPZGGRXREBTI-WIOPSUGQSA-N 438.616 4.816 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)c1cccs1 1539750951 XSOKWJUBBWEDKN-INIZCTEOSA-N 432.540 4.999 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCC(F)(F)c1ccc(Br)cc1 1539904381 BQZXSHOBTKZPDY-UHFFFAOYSA-N 444.073 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2ccc(C)o2)nnc1[C@@]1(OCC)CCOC1 1539932205 YCDNNYHOJKZQRV-NTKDMRAZSA-N 428.577 4.775 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1543462042 JEFWUJZHLNVLPI-SFHVURJKSA-N 437.337 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cc(Br)c(Cl)c(Br)c1 1543836614 QOJMOFRZKKMJTF-HZMBPMFUSA-N 438.543 4.889 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 1543994131 AJEPEFLFAUYVQW-XMSQKQJNSA-N 443.378 4.619 30 10 IJEE C#Cc1ccc(CNC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1 1544038502 LJMSJTSFGAFXAT-UHFFFAOYSA-N 433.099 4.869 30 10 IJEE C=C(C)[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1556261915 WTHWPDITONRSKX-GOSISDBHSA-N 425.229 4.612 30 10 IJEE N#Cc1cc2c(nc1S[C@H]1CCN(c3cccc(OC(F)(F)F)c3)C1=O)CCCC2 1559354817 FFJOIDBMPIOBDY-SFHVURJKSA-N 433.455 4.628 30 10 IJEE Cc1ccc(C[C@@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 1559537608 ARNQECKRKALQRA-QFIPXVFZSA-N 430.552 4.572 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccc([C@H](C)CC)cc2)C(C)C)c1 1561087691 ZBASBVYPKUXJLC-JPYJTQIMSA-N 428.598 4.792 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccc(CCC)cc2)C(C)C)cc1 1562197162 FEYJAPRKAFKMFQ-HSZRJFAPSA-N 443.613 4.964 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(CCC)[C@H]2CCCN(Cc3ccccc3)C2)cc1 1562235532 HZUZPMZRYHLGMY-DEOSSOPVSA-N 434.584 4.511 30 10 IJEE C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1562302417 QFVMNDXESJCGFM-HXUWFJFHSA-N 445.560 4.673 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)C1 1562866361 QOUDHQIMHWKBTP-GOSISDBHSA-N 443.569 4.624 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(Cl)c1 1563327008 WBBCBXNMZCSUDA-LJQANCHMSA-N 449.860 4.653 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C(C)C 1585129064 OUZGURYYVROGEW-NFBKMPQASA-N 441.616 4.730 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1585520479 QBXKFTFDVOHRKZ-UHFFFAOYSA-N 440.487 4.981 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(OC3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1587165455 WZIOKVCMSHQGNO-RUZDIDTESA-N 428.573 4.970 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1587738839 JPBYAWZISPGXRZ-AVRDEDQJSA-N 436.581 4.785 30 10 IJEE C=C(Cl)C[C@H](NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1)C(=O)OCC 1588121447 DUJXTKSPXUBLES-HNNXBMFYSA-N 446.878 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@](C)(O)c1cc(C)oc1C 1589150027 BQKNYXATMVYZIM-ZDJNHPEVSA-N 446.595 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccncc1Cl 1589242614 CQKBVYRLLJIJCP-XMMPIXPASA-N 435.959 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nncn1CC 1589599591 IRTDXPLTWGFRKR-UHFFFAOYSA-N 441.992 4.875 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(Cc1ccnn1C)C1CC1 1593818661 WGVUUGMMFXJYOV-HNNXBMFYSA-N 447.370 4.727 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCN(CCC)C2)CC1 1594014277 QTFSANXZRQWJQF-PKTZIBPZSA-N 437.632 4.923 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(F)F)C1 1594572749 JSKDCSUVSWMWPA-ZDUSSCGKSA-N 428.325 4.874 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Cc1ccc(OC)cc1 1595009228 BSKICROEKYBYNS-STZQEDGTSA-N 426.605 4.706 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCc1ccc(N(C)C)cc1 1595149507 PUVSHSFMMBALSV-UHFFFAOYSA-N 444.608 4.903 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 1597190057 GJWVVDSTIHHBMT-OAHLLOKOSA-N 434.849 4.857 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2c(F)cccc2Cl)nnc1-c1ccc(OC)cc1 1613215032 DOGCXNZHKDBUTN-SFHVURJKSA-N 447.919 4.939 30 10 IJEE C#CCN(CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H]1CCCc2ccccc21 1620613489 HIPPORKRRSCKEN-NRFANRHFSA-N 426.944 4.699 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 1623847913 ORPYJFUOUFFJDJ-RDPSFJRHSA-N 432.609 4.842 30 10 IJEE C=CC[C@H](C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1624692785 UOMPAQSJWMNMLB-QHCPKHFHSA-N 445.529 4.694 30 10 IJEE C=CCC(C)(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1625084849 YELAABLACMWRDU-GDNBJRDFSA-N 427.353 4.748 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 1627264036 HOSKOPYOGVIOES-UHFFFAOYSA-N 444.535 4.556 30 10 IJEE CCN(CC)Cc1ccccc1CNC(=O)c1cccc(COc2ccccc2C#N)c1 1628864403 ARBHBFRJOIIMQX-UHFFFAOYSA-N 427.548 4.909 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1 1629124849 ULZYWUKLBXRNAF-QFIPXVFZSA-N 429.969 4.895 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(C)=O)c2ccccc12 1631141414 LBHHVTPRILWPCE-HXUWFJFHSA-N 426.513 4.953 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)n[nH]2)c1C 1632532840 RWAQDYNVFVIZFV-UHFFFAOYSA-N 429.471 4.784 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cc1F 1632849636 AAJCXDKZXYDBJO-VQDLLJBESA-N 427.951 4.609 30 10 IJEE C=CCN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)[C@H](Cc1ccccc1)C(=O)OCC 1632976414 CGLFCSFIRAAJAN-JOCHJYFZSA-N 437.927 4.533 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(CC3CC3)C2)c1 1633835772 OUVJGOHQCSWGBE-UHFFFAOYSA-N 444.984 4.593 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC2(CC(OC)(OC)C2)[C@H]1C(C)C 1639362107 PUHUQQMOMJAYDV-GOSISDBHSA-N 427.463 4.520 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OCCC(C)C)cc3F)n[nH]2)c1C 1640474142 XIGOLNPDNZNIEJ-UHFFFAOYSA-N 425.508 4.892 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1cc(OC)ncc1Br 1640963982 NYBCZDCNZCBBGI-UHFFFAOYSA-N 447.358 4.502 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc2c(c1)nc(O)n2C1CC1 1642401216 JALCLJZIABAHDV-UHFFFAOYSA-N 428.286 4.656 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C 1643583212 QISRMHYMKOAEBQ-KGLIPLIRSA-N 430.467 4.692 30 10 IJEE C=CC1(CC(=O)NC(C)(C)c2ccc(C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1644513967 UWZUFGCDWVWGFV-UHFFFAOYSA-N 426.479 4.870 30 10 IJEE C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 1645825140 GCUKPAHCQCOVGF-ORAYPTAESA-N 437.849 4.631 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C2CCCCC2)N(C)C)cc1OC 1648814173 HTNMLFWYRLCCDW-IBGZPJMESA-N 425.411 4.623 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCC(F)(F)C1 1649604933 BHAXCGTURLOLLI-JPYJTQIMSA-N 443.542 4.985 30 10 IJEE CC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)C1 1651576713 CNMKDAVFZRTIQV-MHECFPHRSA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1ccc(C#N)c(Br)c1F)C2 1655644087 HNZWNWRYBCSVQR-XOBRGWDASA-N 438.341 4.591 30 10 IJEE C=CCn1c(S[C@@H](CC(C)(C)C)C(=O)OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1655970259 RKUDVERWERAUMR-BBRMVZONSA-N 434.627 4.839 30 10 IJEE Cc1ccc(C[C@H](CO)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1C 1658966381 HZHSXRUPMNCUTH-XMMPIXPASA-N 443.547 4.788 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(Cc2cccnc2)CC1 1662572966 CGZPDYKQRPJKPZ-UHFFFAOYSA-N 430.346 4.896 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)c1ccc(C(F)(F)F)cc1 1662980803 JXXQXIYESWXOGP-SFHVURJKSA-N 439.455 4.656 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC(=O)Nc1cc(Br)ccc1C 1668201317 OIADCPOTEUSMCC-IBGZPJMESA-N 444.373 4.573 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)C1 1670058507 GJFQEYAXJKGAOJ-JXFKEZNVSA-N 442.466 4.512 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)n1 1670182458 FXHUBOAXILQJKS-CQSZACIVSA-N 448.697 4.959 30 10 IJEE C#C[C@H](NC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 1671101443 FIXMHDCCZMBZAJ-SFHVURJKSA-N 448.832 4.979 30 10 IJEE C=CCCc1ccccc1NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1671187352 RADXSQWKADUOJO-PMACEKPBSA-N 438.572 4.518 30 10 IJEE CCN(C(C)=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1 1673001779 BRINRLWQIRCINI-KRWDZBQOSA-N 427.508 4.876 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C[C@@H](O)c1cccs1 1678356005 ILBPKLDFMNMBEU-SWLSCSKDSA-N 425.348 4.709 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)CC1 1682389868 QBIGSDVJKUSBGS-IHPCNDPISA-N 432.406 4.526 30 10 IJEE C[C@H](NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1)c1cccc(C#N)c1 1684082692 FWDMFCPCWCJTSW-IFXJQAMLSA-N 430.371 4.958 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](c1ccco1)N1CCCC1 1689829437 YKPUFYDHNGKAQA-ACIOBRDBSA-N 431.584 4.708 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)c1ccccn1 1689842402 ZSXREELSBKKEOT-LJQANCHMSA-N 447.583 4.573 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1689919541 RFUWWHSZZHRWEO-QGZVFWFLSA-N 448.398 4.550 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCc1csc(C(C)(C)C)n1 1690049943 MZSQZMLLSWLDBN-UHFFFAOYSA-N 445.636 4.637 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(N(C)C)CCCC2)CC1 1690399140 OMGOBFGCNZQDSY-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690419031 FOEARCPRDRGIKD-PMACEKPBSA-N 438.620 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690422345 MEBGWTCOIPLSLI-IAGOWNOFSA-N 444.601 4.551 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690432295 AHMOHGDLXFOQAH-ZWKOTPCHSA-N 429.634 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690435166 TYSQUVBPBMKUDZ-HOYKHHGWSA-N 445.007 4.509 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCc1sccc1C)C1CC1 1690538662 MJTYSSHTFWLVBX-UHFFFAOYSA-N 446.418 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1Cc1nccs1 1690579214 IQKPFUCJMJAGLO-UHFFFAOYSA-N 437.594 4.636 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1690733977 SCHFNWKOSNZHRL-JTSKRJEESA-N 429.565 4.606 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705526614 ISPRSAHBHHEENP-RTBURBONSA-N 425.646 4.608 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1705604143 GKSGVRWENXSFPO-GBESFXJTSA-N 430.980 4.736 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CC(C)C)C1 1705654433 IDELMABLVLTASP-QGZVFWFLSA-N 447.446 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CC(C)C 1705693542 HTSPECWYTKJLBI-IRLDBZIGSA-N 439.604 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1705697268 KWBXQHAGSLEBTC-KSZLKVKMSA-N 433.600 4.931 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1Cc2cccc(Br)c2C1 1705701457 GPZKSVUIYQDSBG-LAUBAEHRSA-N 445.405 4.741 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CCOCC1 1705745350 HFZYKOWPWLGLAE-HNNXBMFYSA-N 425.360 4.687 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1705797279 SZENUYKHNYDEBG-DEOSSOPVSA-N 445.611 4.997 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1OCCC1(C)C 1705837163 RZUNOMHDXIIODM-INIZCTEOSA-N 439.785 4.798 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1c(F)cccc1Cl 1705866549 TXJANLLQEMOTEA-OAHLLOKOSA-N 432.952 4.877 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@@H](CC)C1 1705948835 GSNCZYTZIFUGRF-FQEVSTJZSA-N 432.659 4.725 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)CN1CCCC1 1706816372 ALZISNSFCONFPA-MSOLQXFVSA-N 447.052 4.694 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cnn(CC(C)C)c1C 1722274875 AJJPQPOBEXHSPO-UGKGYDQZSA-N 448.615 4.702 30 10 IJEE C#CCCCCn1c(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1722321468 CBWFDOINHSDWDF-UHFFFAOYSA-N 445.652 4.853 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)COCC 1722389132 DSXSCNHEIJETDJ-LJQANCHMSA-N 438.641 4.657 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCCC1 1722419507 BNSPATJBLSOZJY-UHFFFAOYSA-N 425.596 4.520 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCC1(C)C 1722446657 HFIAYPOLXMEGCG-HXUWFJFHSA-N 433.556 4.512 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC(CC)CC1 1722454490 LXCOUNGPYSAUDD-UHFFFAOYSA-N 439.448 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCSC(CC)(CC)C1 1722510917 XVIOUECRLWPDNS-UFYCRDLUSA-N 434.650 4.613 30 10 IJEE C=C(C)COCCn1c(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C 1722538885 ZRWWTIQAWOQPDY-IBGZPJMESA-N 436.959 4.539 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722592990 DVTHJKAIIYKOQL-HDICACEKSA-N 443.592 4.881 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCC1CCOCC1 1722633660 BVZSDECSAQBREJ-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1CC1CC(C)(C)C1 1722657909 BBPOHRSRUZCBLN-UHFFFAOYSA-N 449.624 4.898 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CC1(C)CCOCC1 1722666104 JQSKQJAYFZXFMU-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2occc2C)C1 1722722057 LPMNCXCBWXZXBA-SFHVURJKSA-N 444.988 4.955 30 10 IJEE CCSc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)c1 1729256528 DTXANYHXYNWYLL-XMMPIXPASA-N 432.597 4.554 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCc2cc(Br)ccc2C1 1740574757 MZFGGCFQZWPJPS-UHFFFAOYSA-N 429.406 4.995 30 10 IJEE C#CCSCCn1c(N(C)CC2CC(F)(F)C2)nnc1C1(c2ccccc2)CCC1 1740722892 MJUNJXXMXNQXKH-UHFFFAOYSA-N 430.568 4.596 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740763862 QRYGHVYFTVQJMT-URVUXULASA-N 444.645 4.696 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@H](C)[C@H]1C 1740796537 DMUFOAYDNDMZQF-QZTJIDSGSA-N 448.658 4.502 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)c1ccccc1 1740856198 RKQBFSRWXKJIEP-HSZRJFAPSA-N 435.616 4.778 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC(C)(C)C1 1740858764 ZQGYYZMDMOVDNR-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(Cl)nc1)C1CC1 1740906625 QFPLKCAGCJJUCR-HNNXBMFYSA-N 427.911 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)c(F)c1 1740923167 FCZGRCWCERGRNY-NRFANRHFSA-N 442.560 4.970 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCO[C@H]1CCCC[C@H]1C 1740923641 QXMZUERGHOUARW-SBHAEUEKSA-N 430.618 4.631 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CCSCC 1740946873 INNYWSVBUCTJLW-KRWDZBQOSA-N 437.654 4.547 30 10 IJEE CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1741409239 DJAWUVUAXZJZSN-DYESRHJHSA-N 445.970 4.929 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCCc1cc(OC)ccc1OC 1743640604 HYLRWUIJIVYEHG-SFHVURJKSA-N 425.577 4.572 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1748685907 GPJKZTNBQKJIFQ-BJLQDIEVSA-N 434.506 4.992 30 10 IJEE C#CCCCCn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCCOC1 1748729875 DNIQOYHQSSWNSC-OPYAIIAOSA-N 430.980 4.817 30 10 IJEE C#CCCCCn1c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)nnc1C(C)(C)C 1748731260 YKNRHPMDCODSBT-UHFFFAOYSA-N 433.522 4.725 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCc2cccnc21 1748876697 QANRCLNFACMHDS-NRFANRHFSA-N 429.955 4.577 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccco1)N(C)C 1748944488 YOVAMENTOFSCQD-OAQYLSRUSA-N 447.514 4.521 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cc(C)on1 1749073475 QTTSPZJLPWNURP-RUZDIDTESA-N 433.556 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1749132902 FNHPRKAEELYBBR-UGKGYDQZSA-N 426.948 4.733 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nnc1C(C)(C)C 1749139975 KGRBJWVOWAELGT-TYPHKJRUSA-N 445.007 4.788 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC(C)CC1 1749163084 CFDWIMPKIIXFEL-UHFFFAOYSA-N 434.632 4.875 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1749225215 CEQVPRHBRSBAFN-PTUXOGIPSA-N 440.588 4.709 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1749255594 DCVSWWOLEZIAEN-IRXDYDNUSA-N 446.979 4.740 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2nccs2)C1 1749356008 VMTKDCJLUOYISK-IBGZPJMESA-N 439.585 4.590 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1Cc1ccnc(OCC(F)(F)F)c1 1749536610 REAWSKSMMBVKBZ-UHFFFAOYSA-N 445.489 4.979 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](C)C1 1749537740 MWZZNYZCKLYYAV-PZJWPPBQSA-N 449.624 4.898 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1749760106 BZBFXRNNXDTMPH-FCHUYYIVSA-N 442.629 4.541 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1750059541 ARXHTOOKGRWMRG-RBUKOAKNSA-N 448.546 4.670 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C#N)CC1 1750576242 CUHJJFAOIBBTDG-QFIPXVFZSA-N 444.004 4.960 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C)CC1 1760132921 RCULGPMSKKVYMU-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N(CCC#N)CC1CC1 1760301711 HSJIWMJMVIFRGQ-LJQANCHMSA-N 428.378 4.859 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(CC)Cc1ccccc1C 1760309739 GESNUDVROJMWJM-UHFFFAOYSA-N 426.362 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCOC(C)C 1760331139 QXJIXRLDAZPCAA-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(c2ccccc2CO)CC1 1760378057 XNJILSKAWGHMPH-UHFFFAOYSA-N 428.989 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760410683 NDZJPZCGDIAPAH-KRWDZBQOSA-N 437.510 4.799 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccsc1)N(C)C 1760481139 NYGNMORUYRNJEB-JOCHJYFZSA-N 432.597 4.830 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cc(C)on1 1760560605 ZRKBJBONEZDDBO-UHFFFAOYSA-N 448.390 4.560 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1763832681 DHIOBFJSIGZHCY-LJQANCHMSA-N 432.572 4.726 30 10 IJEE CCCOC(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccc(C#N)cc2)cc1 1858865316 CPSRDGCRNGRIBN-UHFFFAOYSA-N 430.464 4.743 30 10 IJEE COc1ccc2c(=O)c(-c3ccccc3OC)c(C(=O)Nc3ccccc3C#N)oc2c1 1859769997 AYEBISFCAHLHCM-UHFFFAOYSA-N 426.428 4.601 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cc4ccccc4oc3=O)c2)c1 1860461926 ZDVLGKBBUQEDOU-UHFFFAOYSA-N 443.846 4.823 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1862091776 CCCSADLJPOSLCF-JOCHJYFZSA-N 430.552 4.719 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccccc1Cl 1862431460 HVBOWHXYNNTMLL-BEFAXECRSA-N 432.303 4.751 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862444927 KBKFUZKSONOPQD-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CC2)cc1 1862468753 WRJQZHIILXDVCY-LJQANCHMSA-N 426.310 4.752 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(F)c2)ccc1F 1862501846 LUINWAIGEZEBKC-NRFANRHFSA-N 429.463 4.667 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862509374 GQSAJXOLEBWNCT-HSZRJFAPSA-N 436.527 4.895 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccc3ccccc23)cc1 1862518986 YMIKHXIUAXGWQE-BXKMTCNYSA-N 445.515 4.588 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)cc1OC 1862551366 UDWROGHPDRMSJE-HSZRJFAPSA-N 435.520 4.569 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2F)c1 1862556176 QHPKHRZLCMIWIQ-HSZRJFAPSA-N 430.479 4.619 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862655177 BDILISZLNSVXKA-RCDICMHDSA-N 446.459 4.830 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2c(F)cccc2Cl)cc1 1862667382 ZXHQFYYSLBMWCB-NRFANRHFSA-N 444.934 4.742 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866752458 LMECRAGHMBACDG-FGZHOGPDSA-N 441.572 4.704 30 10 IJEE CCC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 1867046917 CPQHHCFORUPVNS-OAQYLSRUSA-N 432.549 4.538 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccccc2)cc1 1867762800 MJTQWCXSSYBOBR-UIOOFZCWSA-N 448.526 4.638 30 10 IJEE O=C(CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1868147609 OSPAWFXCOCVQQF-HOTGVXAUSA-N 448.338 4.722 30 10 IJEE Cc1ccccc1-c1nc(Nc2cccc(C#N)c2)cc(N2CCC(c3ncncn3)CC2)n1 1868292690 IXXWVIDLZIZYQY-UHFFFAOYSA-N 448.534 4.636 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc3ccccc3c2)cn1CCC 1870394146 FOPFRDJJKIMQPJ-UHFFFAOYSA-N 445.563 4.603 30 10 IJEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(OCC)cc2)cc1=O 1870812940 PKWXZMQECCGXDO-UHFFFAOYSA-N 427.589 4.546 30 10 IJEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccccc1C 1871118443 QBXWEMIYMQELCM-UHFFFAOYSA-N 427.589 4.774 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(Cl)c1C 1871251173 RDSNZJQBMIJBIF-UHFFFAOYSA-N 437.927 4.519 30 10 IJEE CCCCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 1871385408 QTJPMJGPDSKGJK-UYRXBGFRSA-N 426.465 4.733 30 10 IJEE CCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871400169 LXIHVCGNMNUCHM-KSEXSDGBSA-N 449.503 4.834 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccccc2Cl)cs1 1872764394 LVCSIODOODCLCT-AWEZNQCLSA-N 428.813 4.770 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(C)c(C)c3)n2)c(OC)c1OC 1872789086 XWYQSGHCEFQRDB-GOSISDBHSA-N 436.533 4.872 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2ccc(NC(=O)CC)cc2)=C(c2cccnc2)C1=O 1873269598 YSBOHXKMNIWPAO-UHFFFAOYSA-N 448.567 4.983 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc2n1CCC 1873571755 BSIHAVAMWUVJEB-KDURUIRLSA-N 429.609 4.545 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873647155 QOKMWQZKQYIVTH-OALUTQOASA-N 447.583 4.826 30 10 IJEE CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(Br)cc1 1874245371 AWLSPFFQSBGRGF-HYARGMPZSA-N 445.386 4.965 30 10 IJEE CC(C)(C)N1C[C@@H](c2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)CC1=O 1874278293 OKLOMPRDXSZCOW-RASHHNMQSA-N 433.581 4.567 30 10 IJEE CCOc1c(/C=N/n2c(COc3cccc(C)c3C)nnc2SCC)cccc1OC 1874324024 UFOPQNZZTCFFJI-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874437785 SLVAITRWHMLQFH-ZMOGYAJESA-N 426.517 4.879 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cc(C)ccc1O 1874456137 CFZQNQGPXVGGCE-BUVRLJJBSA-N 443.617 4.573 30 10 IJEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)cc(OC)c1O 1874489189 FIOMIWDMORWTOB-WYMPLXKRSA-N 444.532 4.513 30 10 IJEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1874602153 WZOHGBSJZASMAT-UXBLZVDNSA-N 449.375 4.886 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)cc1C 1874633181 PJRGXUGRFFHGGU-FMIVXFBMSA-N 436.508 4.935 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)cc1 1874706978 JBVAGGHPGSMPQB-WUXMJOGZSA-N 436.435 4.723 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccc(F)cc3)c(OC)c2)c1 1875103086 WOTYDHPHAQCSBQ-KPKJPENVSA-N 436.435 4.967 30 10 IJEE CC1(C)OB(c2csc(CN(Cc3ccccc3)Cc3cccs3)n2)OC1(C)C 1902638502 BUPGLSNNIWVQFZ-UHFFFAOYSA-N 426.416 4.706 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 1922077311 MOBSTWXDTVNSNW-JUDWXZBOSA-N 434.624 4.543 30 10 IJEE CC[C@H]1C[C@@](C#N)(N(CCN(CC)CC)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942582303 YIVHHPGTXVSMRI-DHLKQENFSA-N 428.621 4.512 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1953131837 HVMMYLWGLMKPEV-PXDATVDWSA-N 435.524 4.775 30 10 IJEE N#Cc1cccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(F)(F)C(=O)O)c1 1979572929 FLCBWDBZFABZCG-QFIPXVFZSA-N 448.425 4.858 30 10 IJEE Cc1c(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)ccc(N)c1C#N 1995361833 GEWPYHHYQKIUOJ-UHFFFAOYSA-N 442.519 4.721 30 10 IJEE CN(CCN(CC[C@H]1CCC[C@]1(C#N)NC1CC1)Cc1ccccc1)Cc1ccccc1 2034739126 GWKYAEYGZQPPKD-IXCJQBJRSA-N 430.640 4.825 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC1(C)C 2040575443 ALDJIDODNIZPDH-XMMPIXPASA-N 445.560 4.976 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Cl)c(Br)c1F 2041172834 JYQBUJFHWGPNNO-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE CCN(CC)CCN(Cc1ccccc1)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 2095944949 LDSBKUIJQXBXPI-UHFFFAOYSA-N 436.449 4.638 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3cc(Br)c(C#N)cc3F)CC[C@H]2C1 2162385331 MURCLVPTUWPBEK-NWANDNLSSA-N 438.341 4.907 30 10 IJEE CC(F)(F)C[C@@H]1CSC(=NCc2cc(Br)ccc2Br)N1 2169542025 KJCGVRSQVHVXOZ-SNVBAGLBSA-N 428.140 4.818 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)c(Br)c2F)C2(CCCC2)C1 2174809675 CMBBUYQHQBRRRC-AWEZNQCLSA-N 438.341 4.876 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(OC)c(Br)c1OC 2183070911 FKWYTJYWJPSBIZ-RHSMWYFYSA-N 443.382 4.586 30 10 IJEE N#C[C@H](C(=O)c1ccc(Br)cc1I)c1ccc(F)cc1 2207272165 NEHKIELFOSEXLU-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE C=C(Br)Cn1c(S)nc2cc(Br)c(Br)cc21 2210496733 ZBTIMMQJHUOJRL-UHFFFAOYSA-N 426.959 4.759 30 10 IJEE C#CCC[C@@H](CNC(=O)OC(C)(C)C)Oc1ncc(C(F)(F)F)cc1Br 2232221049 ZTCNJUZDTNXHAG-LBPRGKRZSA-N 437.256 4.548 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C 2235716231 FFJLVPZMPLWREG-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2ccccc2Br)CCC12CCC2 2235726181 JUVPFQDHLKHKGD-IEBWSBKVSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C 2235729138 MNSMCMPPPASOBB-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@@H](N)C#Cc3ccccc3Br)c2C1 2235736584 ZIHURBOAICNCFU-FQEVSTJZSA-N 427.342 4.751 30 10 IJEE CCC(CC)(CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)N(C)Cc1ccccc1 2255606131 QJZCKFVNWMXHNA-OYRHEFFESA-N 428.426 4.666 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2267460295 ISLLGKFBARPDCJ-NRFANRHFSA-N 440.437 4.810 30 10 IJEE Cc1cccc(C(=O)C#Cc2ccc(Br)cc2)c1I 2278785051 DUJLPKXNUMAYAT-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE C=C(Cl)C[C@@H](OCC(=O)O)c1cc(Br)cc(Br)c1OC 2292718859 XNQHDFQYISXITK-LLVKDONJSA-N 428.504 4.505 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3cccc(C(=O)O)c3)[C@H]2c2ccc(C)cc2)cc1 2296145131 VMVHMJCPOWVXHA-QFIPXVFZSA-N 427.456 4.628 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296219779 RHKAUJBDQOHBKA-IJXRJRJASA-N 433.390 4.567 30 10 IJEE CC[C@]1([C@@H](C#Cc2cccc(Br)c2)NC)CCCCN1C(=O)OC(C)(C)C 2296220702 AXAIPYWNDAKPDI-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@H](O)C#Cc3ccc(Br)cc3)c2C1 2296281355 KIMHVLRRUSEUIY-HXUWFJFHSA-N 428.326 4.785 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2296306784 LTKLZTOABPLQHY-NQIIRXRSSA-N 439.369 4.518 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2296308218 FIEAWCBALGGKLY-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE COc1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)Nc2ccccc2)c1 2296405004 HNTWKFIRTQWNHK-UHFFFAOYSA-N 427.533 4.868 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2302617226 GHNASIVLWQBKPV-IIBYNOLFSA-N 436.557 4.996 30 10 IJEE Cc1cccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)c(O)c2)c1 2318573933 AWWUAEGQZASZAE-UHFFFAOYSA-N 444.560 4.957 30 10 IJEE CCCOc1c(C=NNc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)cccc1OC 2322607333 YOHJODHFYFSVEF-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)NC2CCCCC2)cc1F 2322711375 LCIJWLHDEYJUDF-UHFFFAOYSA-N 441.499 4.567 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCC(=O)Nc1ccccc1C 2323197264 UXJGNWCIFHASJP-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1ccc(C)cc1 2323532896 HLMXBIQWCBFXDS-FQEVSTJZSA-N 438.553 4.587 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)NCc1ccco1 2323720581 KTCVJEQWEBNFCF-UHFFFAOYSA-N 431.822 4.803 30 10 IJEE CCCOc1ccc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1[N+](=O)[O-] 2323854453 CYRKTTFVLDJAFL-UHFFFAOYSA-N 439.497 4.912 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325081469 WJJHUEGVNDVUBU-GOSISDBHSA-N 425.437 4.630 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(OCCCN(C)C)c3C)C2=O)c2cc(OC)ccc21 2325702337 CWNZICCLZCEXMB-UHFFFAOYSA-N 434.536 4.925 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2325722433 QMKPJVDBWRYLGF-UHFFFAOYSA-N 431.400 4.635 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326272775 UUSZHYVKWMITNZ-UHFFFAOYSA-N 443.504 4.851 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2cccc(OCC(C)C)c2)cc1 2326783710 AEICRMIBXJGSSF-UHFFFAOYSA-N 438.553 4.582 30 10 IJEE Fc1cccc(CSc2nnc(COc3cc(F)ccc3F)n2N=Cc2ccc[nH]2)c1 2327441324 ALAFMSHIQDSLOG-UHFFFAOYSA-N 443.454 4.777 30 10 IJEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2N=Cc2ccncc2)c1 2328724636 YJYCRVTXINJOMW-UHFFFAOYSA-N 447.539 4.998 30 10 IJEE Oc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1 2329190132 UVJNCVCYNUKMHF-UHFFFAOYSA-N 430.533 4.780 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1N=Cc1cc(Br)ccc1O 2329761638 NJFCLCPLIBYXMY-UHFFFAOYSA-N 449.349 4.860 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cnccn1 2331156561 AOVWYRNQWQOABO-UHFFFAOYSA-N 434.879 4.982 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)cc1 2331182685 XQMMESMLTXVYJK-UHFFFAOYSA-N 449.511 4.853 30 10 IJEE CCCOc1cccc(C=Nn2c(CCOC)nnc2SCc2ccc(F)cc2)c1 2331246417 LNLNUPZAUMNDFT-UHFFFAOYSA-N 428.533 4.569 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1c[nH]c2ccccc12 2331304974 ZYJKNWGCJGLMBD-UHFFFAOYSA-N 425.945 4.776 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccc(C)c1 2331349378 OJRJOIQHZUCBAH-IBGZPJMESA-N 435.597 4.781 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2)cc1 2331378582 CQVZQQFLFASHGK-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1F 2331459163 UANPKOHGPIYDAS-UHFFFAOYSA-N 436.395 4.561 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CCC2)cc1 2331541521 XDPQUDKLWPCGHT-UHFFFAOYSA-N 443.617 4.565 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339583652 YBGTVLCBDIHCQA-CXISOLTFSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC=C(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339588479 JJHVNMHWBKHANB-UHFFFAOYSA-N 442.365 4.672 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339589488 YDWZHBLNEVGAFA-KRWDZBQOSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339600049 PZITUCCTTAVWJH-QHSLDKKCSA-N 444.381 4.752 30 10 IJEE C[C@H](Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)c1cc(Br)cs1 2364939410 NVNSGDHURSSNOM-LBPRGKRZSA-N 433.180 4.855 30 10 IJEE C/C(=N\Nc1nc(SCc2nnc(C(C)(C)C)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 20837460 KMWXMMRVUCAXBA-FSJBWODESA-N 429.594 4.782 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(C)c2)Nc2cc(C)cc(C)c2)c1C 32973371 RPHHVVYBGFAWQB-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)cc2)cc1 34955298 FMBUWQRCPBDIBW-RZNTYIFUSA-N 448.471 4.836 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCOC)cc1 35487994 BTPKYHJOQIDRGB-QHCPKHFHSA-N 433.504 4.556 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1c1cccnc1 79307786 MRLYYDSAWQANQH-HFMPRLQTSA-N 444.922 4.549 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1cccc(OC)c1 100196280 KLDQRESSXIUNKO-GOTYSUTNSA-N 431.945 4.637 30 10 IJEE CCN/C(=N\c1cc(Cl)ccc1Cl)S[C@@H]1CC(=O)N(c2ccccc2F)C1=O 105615273 FVCIPHMEHRBDEN-MRXNPFEDSA-N 440.327 4.795 30 10 IJEE COc1ccc(-c2nc3cc(C)ccc3o2)cc1N/C=C1\C=C(Cl)C=C([N+](=O)[O-])C1=O 136137069 UVHUGQNWKOXPPM-SDNWHVSQSA-N 437.839 4.974 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(O)cc2)cc1 169962463 NVOJJRGGJGXIFO-HSZRJFAPSA-N 429.472 4.752 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccc2)cc1 170048103 WLAWTCIQRXBZDZ-VWLOTQADSA-N 426.516 4.855 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)ccc1F 170058346 MVPOZYXTYSHDHN-XLIONFOSSA-N 429.875 4.545 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)cc1Cl 170166220 KCGOYHKVCYDZPE-LJQANCHMSA-N 449.956 4.804 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2cccnc2)c1 170188779 WFBJVSFLVALAHD-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccnc2)cc1C 170197547 GIZYRYZHGPJPRI-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc(O)c1 170258558 UAEKAEZSKCQORP-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccco1 170279968 HDZHMPRABLPAFP-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1)c1ccc(Cl)cc1 170296766 AYHAVLHZOCATHI-FQEVSTJZSA-N 425.843 4.893 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(C)o2)cc1 170305916 HAKYXOYXQBFMHM-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE COc1cc(/C=C\C(=O)N2CCSC2=Nc2ccccc2Cl)cc(OC)c1OC 254765921 RJBWMQAIEJWTDO-AAFAVHRDSA-N 432.929 4.642 30 10 IJEE Fc1ccccc1-c1cs/c(=N/C[C@H]2CCCO2)n1/N=C/c1ccccc1OC(F)F 255961493 YZAPRPOORVCEIN-UJBVBWCQSA-N 447.482 4.919 30 10 IJEE NC(=NO)c1cc(Br)ccc1CNc1ccc(OCc2ccccc2)cc1 313728851 XVKMJBGUUQPJMP-UHFFFAOYSA-N 426.314 4.735 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 462750771 QUCMDGKCOIYMHA-HSZRJFAPSA-N 436.556 4.595 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(=O)Nc1cc(OC)cc(OC)c1 475569119 FZTSGWDPQSRCCB-UHFFFAOYSA-N 425.529 4.658 30 10 IJEE N#Cc1cc2c(nc1NC(=O)Cc1csc(COc3ccc(Cl)cc3)n1)CCCC2 484160366 HOXGNDJIIRVDPE-UHFFFAOYSA-N 438.940 4.702 30 10 IJEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@]2(CC=CCC2)C1 508826975 KITJLLVNMCQUBD-AREMUKBSSA-N 444.583 4.749 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 508879567 GNXOWLDFJJSRAS-HVCNVCAESA-N 449.643 4.802 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1nc2ccccc2s1 508952986 SLCCMHFHLQKYFT-AVRDEDQJSA-N 431.565 4.955 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 508955421 GJLQNWQXPOWBMV-NRFANRHFSA-N 440.494 4.543 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 515073781 KFDNNIRAEUVEBH-HRAATJIYSA-N 437.475 4.535 30 10 IJEE CN1CCC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)[C@@H]1c1cccs1 525040437 FYHOBJQWFYLVGN-PGRDOPGGSA-N 435.549 4.605 30 10 IJEE N#Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(OCc4ccccc4)cc3)C2=O)cc1 526655136 IFPXJAXVCLAKEI-UHFFFAOYSA-N 429.863 4.573 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2ccsc2)C1 549603951 NHRDQIYKRZWVDT-SFHVURJKSA-N 445.386 4.923 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 549634288 MZOWJTSMNKTVDD-HSZRJFAPSA-N 436.531 4.596 30 10 IJEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1c1ccc(C)c(C)c1 569858624 QHUFERJICQXGEU-OAQYLSRUSA-N 426.524 4.738 30 10 IJEE Cc1csc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 609053925 YPLQGPSCFYQDAN-KSSFIOAISA-N 438.940 4.576 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c(F)c1 609252611 QZQGZNGLIMMYPC-UHFFFAOYSA-N 442.494 4.541 30 10 IJEE CCOC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c(C#N)c1C 610150686 IPRULMOKHSBTMC-OLZOCXBDSA-N 438.427 4.746 30 10 IJEE Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)o1 615385719 BHPZCRLTGPIFFY-IERDGZPVSA-N 444.491 4.585 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)C[C@H]1CCCCN1Cc1ccccc1 719951681 WCEVRMWULDORQV-AREMUKBSSA-N 448.460 4.781 30 10 IJEE Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc(C)c1OC(F)F 730855303 GVWFUEIIHLXMAW-LBPRGKRZSA-N 434.464 4.511 30 10 IJEE CCCOc1cn(-c2ccccc2)nc1C(=O)OCc1cc(Cl)ccc1OCC#N 735348734 IGUKACVNPBIJNE-UHFFFAOYSA-N 425.872 4.574 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 743120556 NLBDGUXCFZZHPC-FQEVSTJZSA-N 438.528 4.733 30 10 IJEE C=CCn1c(C)cc(C(=O)COC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)c1C 750193873 OMPXGGGCPOJMMZ-UHFFFAOYSA-N 446.532 4.640 30 10 IJEE Cc1cc[n+](/C(C(=S)NC23CC4CC(CC(C4)C2)C3)=C(/O)c2ccc(C#N)cc2)cc1 762440917 PDGYWYSZPRUTNV-UHFFFAOYSA-O 430.597 4.924 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1=S 764963498 NOAAHROPSDZZSJ-PGRDOPGGSA-N 436.581 4.695 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 767208071 QUZLXOASXJZKBR-UHFFFAOYSA-N 440.491 4.550 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1 782756471 ADVJKNYKPPTVFK-UHFFFAOYSA-N 425.579 4.552 30 10 IJEE C=CC[C@@]1(C(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)CCCN1C(=O)OC(C)(C)C 791719471 HONCWLHHBLOKMI-UUOWRZLLSA-N 430.545 4.519 30 10 IJEE C#C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccc(F)cc1 812749747 CAYLUCBDMSEQJV-GOTSBHOMSA-N 434.898 4.831 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2ccc(C)cc2C)n[nH]1)c1ccc(F)cc1 1084516231 WZPJCZOMRDJBDG-UHFFFAOYSA-N 426.521 4.518 30 10 IJEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=Cc3c(Cl)cccc3Cl)cc2)n1 1084650614 SXGHZKQMPBHPNW-UHFFFAOYSA-N 435.336 4.952 30 10 IJEE Cc1nc(SCC(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)c(C#N)c(C)c1C 1125222123 DNHPKUUWZJPCOP-MRXNPFEDSA-N 425.598 4.895 30 10 IJEE C=CCC[C@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])c1ccccc1 1127383705 GJKIWSHNHZAFSW-KRWDZBQOSA-N 432.318 4.617 30 10 IJEE Cc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cnc1N1CCCC[C@H]1C 1127426511 DASQDQYTEDEFKI-GOSISDBHSA-N 435.547 4.635 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)c2csc(Cc3ccc(F)cc3)n2)c1 1128566035 CCHFIUUHMQDJQU-UHFFFAOYSA-N 431.286 4.864 30 10 IJEE C=CC1(CC(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)OC)CCCCC1 1128782833 AXOLVKKIVHZEGD-LJQANCHMSA-N 447.373 4.657 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1OC 1138221309 GBNZCGMJWFYPKG-NTPDMAOXSA-N 436.335 4.820 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1139595163 VNUJAHVAQHJZJB-QFIPXVFZSA-N 440.609 4.643 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nc(COC)nc3scc(-c4ccccc4)c23)c1 1162873143 CILZLEYLZNPWSS-UHFFFAOYSA-N 442.544 4.561 30 10 IJEE C=C(C)[C@@H](CO)Sc1nnc(COc2ccc(OCC)cc2)n1-c1ccc(Cl)cc1 1164464698 RVJDKCUCYHQHCC-HXUWFJFHSA-N 445.972 4.928 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC2CCCCC2)C(C)C)nc2sc3c(c2c1=O)CCC3 1164588212 SOCOOVNAKGLVEW-LJQANCHMSA-N 445.654 4.698 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1175916543 AURXOBNWJRGYGY-QGZVFWFLSA-N 425.326 4.721 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1cc(C)ccc1Br 1184577562 LNWIZDQMRIYFGC-UHFFFAOYSA-N 434.808 4.990 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)c2C#N)C1 1198173272 BQPGLCHXSHGQDO-RTPKDJLFSA-N 437.609 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1199732540 XVXGWNZJCSRPIK-GCJKJVERSA-N 425.916 4.893 30 10 IJEE C[C@H](CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1cccc(Br)c1 1204572222 HHSJHESBTYGXCL-MRXNPFEDSA-N 426.358 4.775 30 10 IJEE C#CCN(C(=O)NCc1ccccc1OCCN(CC)CC)[C@H]1CCCc2ccccc21 1210941644 BKIFCCUTMFHICD-VWLOTQADSA-N 433.596 4.630 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 1221975462 FJWQKWLUKLJPKU-HXUWFJFHSA-N 435.465 4.817 30 10 IJEE C=CCC[C@H](NC(=O)NCC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1230693080 AYELWRLXIIJVOZ-SFHVURJKSA-N 441.494 4.879 30 10 IJEE C=CCCCCCN(C)C(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 1265360247 YYAAYGLTZQCYJU-IBGZPJMESA-N 437.378 4.755 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(OC)cc2OCCOC(C)C)C(F)(F)F)cc1 1272444524 TYXYKEDLPAENBV-OAQYLSRUSA-N 436.426 4.941 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCN(CCC)C1 1286274514 KHKCPBGPNSBYON-OFNKIYASSA-N 444.627 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)Oc1ccccc1F 1286305508 NLGBDHCKMKQOOM-VQQMMKBISA-N 442.579 4.651 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC[C@@H]1CCCCO1 1286362038 BKSNWOXYBYQSJX-FQEVSTJZSA-N 435.597 4.796 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@@H]1CCO[C@H](C)C1 1286457651 BIWNBEFLLQAFTE-WOJBJXKFSA-N 426.580 4.851 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1286643744 UDPOITGCWRHYCS-XLIONFOSSA-N 443.389 4.845 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1286688888 ZXAHLZBTQVYWQL-JRFVFWCSSA-N 437.632 4.628 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286691830 RVXSTCNAOGGNDT-YADHBBJMSA-N 425.621 4.749 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1286706223 LOXCSVXNOKQBKD-ROUUACIJSA-N 448.995 4.668 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1286712413 YKIZNBQQHWUEEC-LADGPHEKSA-N 437.632 4.518 30 10 IJEE C=CCCOCCn1c(N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)nnc1C(C)(C)C 1286714787 WLTIAOYOBRHAPV-FCHUYYIVSA-N 426.605 4.772 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1csc(CC)n1 1286719952 OHVPEQYZCYHNDD-UHFFFAOYSA-N 436.354 4.536 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCCCn1ccnc1C 1286741961 FQICJUIDLCQIOH-UHFFFAOYSA-N 431.588 4.625 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CC1CCN(CCC)CC1 1286743920 XOQOWFXKBAAQSH-UHFFFAOYSA-N 432.616 4.598 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NCc1ccc(C#N)c(F)c1 1299371993 GOBPWGYOZVLOPD-FQEVSTJZSA-N 425.504 4.606 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCC2)C1 1300741150 OCUABQPEPGFZBN-QGZVFWFLSA-N 431.005 4.818 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)C[C@H]1CCCO1 1300745340 JEGIAJFMBCSNJZ-MRXNPFEDSA-N 439.412 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCCCCCN1CCCC1 1300801995 YRQYLMKXIFIPFT-AREMUKBSSA-N 434.632 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(C)C)C1 1300870263 RSQKVOGXPWKBCH-LWSSLDFYSA-N 438.616 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCOC(C)(C)C 1300879940 GEGCFYKOEUMZDK-XLIONFOSSA-N 432.996 4.831 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)o1 1300884708 LXKSKMKINNBYJO-MAUKXSAKSA-N 435.366 4.519 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2ccco2)C1 1300972819 QHXAQVOEZHOODZ-GGAORHGYSA-N 436.556 4.584 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1301139854 XQEYNCNBTFHXKI-HOYKHHGWSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1301208717 BILUNCIPRYYFIA-LJQANCHMSA-N 436.991 4.670 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)c1c(C)noc1C 1301380570 GPIMGEZGIXLYKZ-GOSISDBHSA-N 443.555 4.718 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCSC1(C)C 1301421171 PYEJZUSDHZCWRJ-LJQANCHMSA-N 437.613 4.664 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1301469043 WOLIKWXYILDCBT-UHFFFAOYSA-N 444.160 4.705 30 10 IJEE C#CCN(C(=O)N[C@](C)(CC)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1311266828 AXJFXPVTJIYUPC-WMLDXEAASA-N 433.268 4.649 30 10 IJEE C#CCN(C(=O)CCOc1cc(C)ccc1C)[C@H]1CCOc2ccc(Br)cc21 1353633008 ABABRGMFOCKMTM-FQEVSTJZSA-N 442.353 4.820 30 10 IJEE C=CCN(C(=O)[C@H]1CCOc2c(F)cccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1355119879 MSOIJSKXIUJESF-KRWDZBQOSA-N 439.468 4.943 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOC1CCCCCC1 1358952960 FHZLPDDUPNUUEG-UHFFFAOYSA-N 438.616 4.963 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1359094269 YXOGPZZCHWDJSS-FYYLOGMGSA-N 431.584 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCO[C@@H]1CCCC[C@@H]1C 1359110054 YVIFHEIBANDKKL-AZUAARDMSA-N 426.561 4.672 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1359124220 PFGAVPFMBFQGMH-UHFFFAOYSA-N 437.632 4.834 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359216256 SAHGEIDDSVTYPT-WIYYLYMNSA-N 426.561 4.541 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(Cn2cccn2)CC1 1359219772 CAIKESAXMAFGRR-UHFFFAOYSA-N 434.588 4.553 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC12CCC(CC1)C2 1359244013 MTGWAROGAMJHDU-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1359284295 FNLXJRFFJDWNKF-IBGZPJMESA-N 445.558 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1359315432 VBQGFLVUKWHFFO-VAMGGRTRSA-N 445.489 4.892 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc3c(ccn3CCCNC(=O)OC(C)(C)C)c2)c1 1360369077 BCRXDNCAUHQNOH-UHFFFAOYSA-N 447.535 4.820 30 10 IJEE C=CCOc1ccc(OC(=O)c2c(F)ccc(I)c2Cl)cc1 1361118565 ZHGSPTLDENVXSX-UHFFFAOYSA-N 432.616 4.868 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1449310786 NKJCTFJYQIWCKY-OAQYLSRUSA-N 434.577 4.540 30 10 IJEE C[C@H](NC(=O)COc1ccc(Br)cc1C#N)c1ccc(Cl)c(Cl)c1 1458991720 AGCKVAIBQLEVSC-JTQLQIEISA-N 428.113 4.884 30 10 IJEE N#C[C@@H](C(=O)CSc1nc(Cc2ccccc2)no1)c1nc(-c2ccccc2)cs1 1459244289 CURMGIKWMMOJTJ-KRWDZBQOSA-N 432.530 4.752 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCCN(c2ccccc2C#N)CC1 1459434922 DANHZFNJVBAGAK-OAQYLSRUSA-N 440.547 4.890 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CCC 1464571943 DUZNKGMWCYOLMJ-HOYKHHGWSA-N 431.536 4.668 30 10 IJEE CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1466800690 FHFGCHQXWXLCIQ-GOSISDBHSA-N 447.560 4.868 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 1466816148 GRNCFIKJHZCEOG-QXAKKESOSA-N 437.378 4.951 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)[C@H]1CCCO1 1469869330 YIAHPHFUESJMCD-JWQCQUIFSA-N 434.580 4.903 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CC(O)(c2cccc(Br)c2)C1)c1ccccc1 1471202975 FRTJLSZWKBVQLV-HXUWFJFHSA-N 429.358 4.760 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1(c2ccccc2Br)CC1 1476040251 DMVUNJAPZHKATA-UHFFFAOYSA-N 428.330 4.961 30 10 IJEE COc1ccc2c(c1)CN(C(=O)Nc1ccc(OCc3cccc(C#N)c3)cc1C)CCO2 1476099928 CCUJGSLJSSRFCL-UHFFFAOYSA-N 443.503 4.881 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(C)c(Oc3ncccc3Br)c2)CC1 1476544860 YMKUYJDLJXOVJH-UHFFFAOYSA-N 446.345 4.880 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCc1cccs1 1495650600 BHXQYUAJPDQRAL-HXUWFJFHSA-N 448.640 4.680 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1496695562 HIBYTLYXHNXDQT-BQFCYCMXSA-N 442.995 4.707 30 10 IJEE CC[C@H]1c2ccsc2CCN1c1nnc(-c2cccc(C#N)c2)n1CC(O)(CC)CC 1499383369 BCWPGHOIUMYHQE-FQEVSTJZSA-N 435.597 4.943 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1507572995 BZCZZKZTKWAUOC-QUCCMNQESA-N 442.991 4.738 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCC1(C)C 1507704359 YQIFHWRXSYSXJI-SFHVURJKSA-N 445.405 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1507770737 RQGGQTXKHDYMID-XMMPIXPASA-N 437.588 4.802 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507802374 BMZXEZYUDACUKA-ZIAGYGMSSA-N 440.432 4.704 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1507899697 QLQKAMFANFGIQJ-PMACEKPBSA-N 425.596 4.855 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1507913579 ZZCYHSOHVOFSJS-OAQYLSRUSA-N 430.600 4.653 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OC(C)(C)C)CC1 1507942948 XTYUCLTYEQHQGV-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1507973448 DPLSEUMDILCXDQ-HXOBKFHXSA-N 432.012 4.740 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1508004222 BFPUCFAZMIUYIX-QGZVFWFLSA-N 439.501 4.617 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC[C@@](C)(CC)O1 1508014577 BGPVFDSEBJIXDD-DYESRHJHSA-N 448.409 4.572 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(CSC)cc2)C1 1508132454 UXVDROAZAWPJEO-QFIPXVFZSA-N 426.630 4.703 30 10 IJEE C#CCN(C(=O)c1ccccc1Br)[C@H]1CCOc2ccc(Br)cc21 1529627801 YGGPRHUSLHAYTP-KRWDZBQOSA-N 449.142 4.811 30 10 IJEE C#CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CCCc2ccccc21 1536280261 UGVUXEARPCWFCJ-JOCHJYFZSA-N 434.337 4.788 30 10 IJEE Cc1nc(SCC(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)c(C#N)c(C)c1C 1538327466 ANHFNSDAMKLJLK-UHFFFAOYSA-N 428.945 4.611 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C)cc1 1539006791 RBQOHZWLWJACTL-UHFFFAOYSA-N 434.496 4.786 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1csc([C@H](C)OC)n1 1539154531 KIMQARDLQTUIOY-HNNXBMFYSA-N 441.626 4.557 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccnc(SC)c1 1539352375 WZNAFIVYTSDZBE-UHFFFAOYSA-N 432.380 4.877 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(CCOCC)CC1 1539566584 MSIFJKOBMJWIOA-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C(=O)OC)CC1 1539981931 OSEJULYBWKGAAY-UHFFFAOYSA-N 447.583 4.708 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC(F)(F)F)C1 1540884683 TVCNDOPIEGAWHV-MAUKXSAKSA-N 442.457 4.681 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1C[C@H]1C 1541073371 YAJRIRXGXFIOGU-DLYSWHJUSA-N 438.955 4.809 30 10 IJEE O=C(Cc1ccc(Br)cc1F)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 1543503329 CNUITFMIXFHHAU-MFKMUULPSA-N 436.165 4.863 30 10 IJEE CC(C)Oc1cccc(CNC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 1559603707 GOBJODAWANKQTF-UHFFFAOYSA-N 445.538 4.803 30 10 IJEE Cc1cccc(COc2ccc(CNS(=O)(=O)c3ccc(C#N)cc3Cl)cc2)c1 1561466267 DABDRPSMOSVLKO-UHFFFAOYSA-N 426.925 4.578 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(F)(F)c2cc(F)cc(F)c2)cc1 1562265158 SRUMLGHRJZVHGJ-UHFFFAOYSA-N 435.421 4.693 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 1562333455 IEVWRNYKKWVKFT-UHFFFAOYSA-N 433.436 4.847 30 10 IJEE C#CCN(C(=O)Nc1c(C)ccnc1CC)[C@H]1CCOc2ccc(Br)cc21 1563372088 QGIJXEHRMSJHDA-SFHVURJKSA-N 428.330 4.706 30 10 IJEE C=CCSCCNC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1564545212 FPVQQVJIWVUVBK-QFIPXVFZSA-N 430.017 4.676 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 1564998720 AUSHYCQSYGSJPP-XZOQPEGZSA-N 449.348 4.823 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)[C@@H]1CCCO1 1567814355 HIXTWFINVUUGHH-MOPGFXCFSA-N 430.367 4.652 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OCCC 1587592982 GNSGLDBXLISFND-OAHLLOKOSA-N 444.366 4.942 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1ccc(Oc2cccnc2)c(F)c1 1588181635 YTLRPACVLYRSOO-LJQANCHMSA-N 431.515 4.629 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H](C)c1cccs1 1589036621 LVIPDZFHCQWSPY-MRXNPFEDSA-N 442.610 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCS1 1589171742 QSMLMLANMPRCPX-FXAWDEMLSA-N 431.403 4.595 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1589316974 JETJRMSFZDXKMG-SFHVURJKSA-N 426.362 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CCC(F)(F)F 1589569923 SDRGXCQLAJZHHE-FXAWDEMLSA-N 438.494 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccnc(OC2CCCCC2)c1 1589669111 KPYJEQBSBWEHQN-UHFFFAOYSA-N 446.599 4.821 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1594226228 IJFVMBZJZCDBPG-KRWDZBQOSA-N 443.567 4.742 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 1594535978 UZNBJXRMNPTTBJ-MOPGFXCFSA-N 447.624 4.568 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(CCC(N)=O)CC1)c1ccccc1 1594545248 SDIGOVBJIJKKND-JOCHJYFZSA-N 447.583 4.688 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1)c1ccccc1 1594545381 SXDZTJYMTJFNNQ-ZEQRLZLVSA-N 438.616 4.926 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H](O)C1 1595134274 YDLVAUSROFYCMJ-NQIIRXRSSA-N 440.588 4.813 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccncc1 1595275618 IZUPSPFQFLONQZ-UHFFFAOYSA-N 437.613 4.552 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C)[C@H]1C 1595844608 FJZICGAOWCXQCR-IXDOHACOSA-N 436.622 4.807 30 10 IJEE C=CCSCCn1c(N2CCC(COC)CC2)nnc1C1(c2ccccc2)CCC1 1595906066 XFSBPGRRARAJKC-UHFFFAOYSA-N 426.630 4.530 30 10 IJEE C=CCCOCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(OC)cc1 1598391672 BUTMWRMTSHESOH-JOCHJYFZSA-N 446.588 4.579 30 10 IJEE CN(CCC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1623028363 GHNVPUMWZKDZKQ-UHFFFAOYSA-N 443.931 4.986 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1ccccc1 1627434752 CBUXVNXSSAUHPK-KDMYIRCYSA-N 432.586 4.796 30 10 IJEE C#CCN(C(=O)c1[nH]c2ccccc2c1OC)[C@@H]1CCOc2ccc(Br)cc21 1628057255 BTPYJSNONGKILB-GOSISDBHSA-N 439.309 4.538 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)C(C)C 1628249489 XLAFFOIUHNOHKO-QGZVFWFLSA-N 433.312 4.896 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1)c1ccc(Cl)cc1 1633645182 KCNTXNDSZYEVDN-AGRHKRQWSA-N 435.749 4.852 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccc(Cl)cc2)on1)[C@H](Cc1ccccc1)C(=O)OCC 1634103793 JBXHENNGMVOMCV-OAQYLSRUSA-N 438.911 4.798 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 1635535806 CYYHRWCBYQBCMB-NRFANRHFSA-N 436.600 4.554 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1cc(Br)ccc1OC)c1ccc(F)cc1 1636547711 GWUJLHPSVWRGFK-OALUTQOASA-N 431.305 4.818 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C 1636639529 BCTTYJPWBMLFAD-WINIVTDRSA-N 426.516 4.551 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 1636816900 KYTRQLZOVIYKCP-ROUUACIJSA-N 426.479 4.825 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(COc2ccccc2)n1-c1ccccc1 1640966812 DPOJCWAWSCTHRD-IBGZPJMESA-N 436.581 4.752 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1641042657 IUTCNJXFHLHNEV-LJQANCHMSA-N 428.573 4.780 30 10 IJEE C=CC[C@H]1N(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CCCC1(C)C 1642918060 VFDXEFWXAASZKP-HSZRJFAPSA-N 449.551 4.673 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(c2ccc(C#N)cc2)CC1 1644193766 DUOILWHINBVBDQ-HXUWFJFHSA-N 442.588 4.859 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCCCC1 1649540419 VREBWDGHOTVZGI-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C=CCn1c(SCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc2sccc2c1=O 1651648471 SQCRKBMNCPBYLH-HNNXBMFYSA-N 435.615 4.773 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1653251594 GEXUDFBYVQVXTP-INIZCTEOSA-N 447.520 4.605 30 10 IJEE C=CCn1c(SCc2nccc(C)c2C(=O)OCC)nnc1-c1cccc(Cl)c1 1656403491 YQOMJZQPWUATMK-UHFFFAOYSA-N 428.945 4.957 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN(C)Cc3cc(-c4ccccc4)n[nH]3)c2C#N)C1 1656436048 BLZFFWXDMMABQO-MRXNPFEDSA-N 433.581 4.595 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(N3CCN(CC)CC3)c(F)c2)cc1OC 1657863153 NXTXZAQZNHQDSQ-UHFFFAOYSA-N 433.955 4.807 30 10 IJEE C=CCOc1ccc(CNCc2ccccc2CN(C)C(=O)OC(C)(C)C)cc1OC 1658230184 WKSKBTDDJGTWTD-UHFFFAOYSA-N 426.557 4.917 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccc(Cl)cc1F 1658319979 DKBCFCLSHJXLSQ-MNVSYLFESA-N 433.886 4.728 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC2CCCCC2)c2ccccc2)c1 1661245728 DZNGMNDHDQMSNP-QHCPKHFHSA-N 426.582 4.592 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cc1 1664779057 ITPLFPAGQSBDCY-NJDAHSKKSA-N 448.629 4.508 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 1665838864 ARYHJCMEHISXPI-INIZCTEOSA-N 433.430 4.508 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1(C)C 1671569834 BTGBZXWCQWNROW-SFHVURJKSA-N 430.549 4.645 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1673815721 AQPUHLGXVZHEAP-INIZCTEOSA-N 448.445 4.644 30 10 IJEE C#C[C@H](NC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)c1ccc(Cl)cc1F 1674036089 KLOCBESMLVKEGW-UNMCSNQZSA-N 435.326 4.898 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)(F)F)C1 1674868774 QEQCCCQZGQWHRX-ZDUSSCGKSA-N 439.425 4.579 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc(Br)cc1 1677692080 SGXYNOGVBRPGAG-YADHBBJMSA-N 440.385 4.650 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1677729964 ABRYWIKTSCFGPF-YMPZKCBVSA-N 439.600 4.792 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1)c1ccc(Cl)cc1F 1677933762 BBDJRYZVDQQAFA-NSHDSACASA-N 449.813 4.627 30 10 IJEE C#CCC1(NC(=O)N[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)CCOCC1 1679854671 FBUHHVVUTUBVQQ-OAQYLSRUSA-N 430.520 4.648 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1683131756 WNDBBNJXSVYTPG-GOSISDBHSA-N 449.320 4.560 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C 1685375225 AMOQDCGUZUPLHB-VXKWHMMOSA-N 432.612 4.882 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)c1ccc(F)c(F)c1 1686173816 PMTBTDFZKAFFKY-GOTSBHOMSA-N 431.527 4.971 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1689834048 WAZTXZIUGQKGMC-LSDHHAIUSA-N 425.989 4.686 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C(F)F)C1 1689920536 AZGPYHVEGDZYQR-GOSISDBHSA-N 432.515 4.636 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCSC1(C)C 1689955286 ALUXTWVCPUFZEA-HXUWFJFHSA-N 426.630 4.971 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(c2ccc(F)cc2F)CC1 1690269951 MRUFQOMTPQCOKJ-UHFFFAOYSA-N 440.542 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1690430604 PAXQNIGGIOPAKN-UHFFFAOYSA-N 441.645 4.917 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1690465299 XCKOZSHALSHMOJ-PMACEKPBSA-N 433.641 4.963 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2C1 1690483507 QMFOVOTYIBZDDH-NRFANRHFSA-N 437.588 4.879 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1C2CCC1(C)CC2 1690500361 SNQLSPNATJOJGJ-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1690597004 HAMXSYTVTWHPHB-XMMPIXPASA-N 440.975 4.818 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(C)CC2)C1 1690692295 VUKIUNQJHCQYDI-INIZCTEOSA-N 449.368 4.818 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](OC)C(C)(C)C)C1 1690711969 LLEQWWDCRUZKAH-FPOVZHCZSA-N 444.645 4.721 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1690744447 PJOOMMAVKBXFCE-JWRCQZCYSA-N 432.659 4.790 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(C)(F)F 1692826302 CHFNBPCWTCVEOP-DJJJIMSYSA-N 427.858 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)c1c(C)noc1C 1705716395 JPQDYDRPBSDHSU-IIBYNOLFSA-N 437.544 4.602 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC(C)C)C1 1705724991 DGQPCGSLBHCEMS-UXHICEINSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705793802 KKDMJYITLVYZBO-PZJWPPBQSA-N 426.605 4.678 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1705799693 DIIILNZWLZTRPN-UHFFFAOYSA-N 444.530 4.688 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705801281 ZRVVUMTUERSIDR-RXFWQSSRSA-N 438.616 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(Br)s1 1705838667 XJRQNUYMOXKGPL-UHFFFAOYSA-N 438.782 4.682 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)C1CC1)C1CC1 1705850529 WXMNIMVCDYDMHP-LJQANCHMSA-N 431.378 4.596 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)C(C)C 1705867726 UMENIJOCNUOXGD-TZRRMPRUSA-N 444.627 4.608 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC12CCOCC2 1705869700 BMBOXAQCEDXUFG-RBUKOAKNSA-N 426.536 4.552 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC=CCO1 1705869837 GTQFDXQTDCSKIJ-FQEVSTJZSA-N 433.581 4.901 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](OC)C(C)(C)C)C1 1705921521 UGKXFSRDVMDOGY-APWZRJJASA-N 436.959 4.580 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CCC1(O)CCC1 1706917362 CKXPFJACPSMGTI-QGZVFWFLSA-N 443.979 4.507 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1708339699 FCMNHMBUOHAVGW-NYHFZMIOSA-N 433.959 4.665 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(CC)cc3)nnc2N2CCC(CC#N)CC2)cn1 1709862264 CUORZJBFJLSBSP-UHFFFAOYSA-N 444.583 4.870 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(C)C)C(C)(C)C 1712748978 HDEIBAVSCMJWDR-HXUWFJFHSA-N 429.634 4.989 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CC)C[C@@H]1CCCO1 1722311131 SYKILRSRRQDLPQ-ICSRJNTNSA-N 426.630 4.940 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC12CCC(CC1)C2 1722395033 NSQHAAQYSQMCNI-UHFFFAOYSA-N 437.385 4.751 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1(CCC)CC1 1722395037 NZRVITMWRJJJLY-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCc1cccc(C)n1 1722407980 VQNCSQWGJABAPJ-IBGZPJMESA-N 437.975 4.867 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1722473307 RYANMPAJKKQWEN-JYFHCDHNSA-N 437.607 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1c(CC)nn(C)c1OC 1722501619 OPICASIDBWRRLP-UHFFFAOYSA-N 448.615 4.503 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1722532760 VVEJJKWIKHOOBQ-OAQYLSRUSA-N 430.980 4.760 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1722559409 VSWWXRVXKCOTKZ-LEWJYISDSA-N 437.588 4.509 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1722562622 GGFGUZVLAUYBSP-IBGZPJMESA-N 444.023 4.884 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](OC)C(C)(C)C)CC1 1722579268 MGAIZTVYBKPDMR-QFIPXVFZSA-N 426.605 4.937 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cccnc2OCC)CC1 1722580306 ZYNVPUIEUIDIDV-UHFFFAOYSA-N 447.583 4.718 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCSC1 1722595902 XTUIEVLINIZPJL-SFHVURJKSA-N 428.602 5.000 30 10 IJEE C=CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CC(F)(F)Br)C1CC1 1722647419 UUJLONFWUWSOGW-UHFFFAOYSA-N 448.315 4.944 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCO[C@H]1CCCC[C@H]1C 1722662670 KNBBHABVEIIVJS-NQIIRXRSSA-N 438.601 4.585 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(C)(C)O)cc1 1722676191 VKLVGJLXFGOCQQ-UHFFFAOYSA-N 446.551 4.950 30 10 IJEE C=CCn1c(N2CCC[C@H]2c2ccc(C)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722690675 LZPDKTQUHQYJAD-HBMCJLEFSA-N 437.588 4.885 30 10 IJEE C[C@@H]1C[C@H](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CCO1 1726469850 HXPYQKACDZJKAP-ZHHKINOHSA-N 443.636 4.532 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CCS1 1727338995 BJMPOCCALZKFLN-UHFFFAOYSA-N 431.556 4.974 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H]1CC 1740570844 JSGRUOZEVBWDOW-VQTJNVASSA-N 446.599 4.664 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)[C@@H](C)C1 1740720363 WDBLLGZSKNMKBY-KDURUIRLSA-N 447.048 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1C 1740753780 ODVXMHBFILMVSI-AYBZRNKSSA-N 431.378 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)cc1C(F)(F)F 1740772870 NZLYDFZPAXTQRM-INIZCTEOSA-N 426.458 4.781 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C2CC2)C1 1740884219 TXQOXHNYQPUDFQ-LJQANCHMSA-N 445.405 4.845 30 10 IJEE C=CCOc1ccccc1Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)CC 1740970967 FXUDIRGJFQSWIP-HNAYVOBHSA-N 428.487 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cn(CCCCC)nc1C 1748652027 WCGQVMWXNRBKFM-SFHVURJKSA-N 430.556 4.893 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1749027238 XTFNKRZAUHWURD-MOPGFXCFSA-N 442.629 4.734 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)CCc1cccs1 1749089743 BPDIHTQMWGTALM-UHFFFAOYSA-N 442.386 4.856 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(SCC)c1 1749148679 BMDQDNVEYLKVFB-UHFFFAOYSA-N 428.993 4.951 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749182785 CRNAJHVWUVBHRE-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(=O)N[C@H](C)CC)CC1 1749291224 BJVYLVUOGJYNSU-QZTJIDSGSA-N 445.995 4.533 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1749312887 WYXWGJICYOLHRB-NRFANRHFSA-N 437.613 4.686 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2ccn(C)n2)CC1 1749336362 YZPAEXGQEDMRTH-UHFFFAOYSA-N 434.588 4.554 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1749382277 LCOQVCFWXARYMJ-FQEVSTJZSA-N 435.538 4.836 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)CC[C@@H]2C)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1749384544 CVVLSOQVWGMKAS-KNZHSQOXSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1749400667 JYGXIAAWQXDJBT-UHFFFAOYSA-N 433.387 4.902 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1749417872 SIXHVBZOVKJBTR-LJQANCHMSA-N 440.979 4.821 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H](C)c1c(C)noc1C 1749502151 QGGJSANYXCEWEJ-HNNXBMFYSA-N 427.574 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1cccnc1)C(C)C 1760123370 DSKDUKZIQBFWKA-XMSQKQJNSA-N 437.975 4.803 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760130905 RCOBOLJEBQCEFN-QGZVFWFLSA-N 448.409 4.623 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)Nc1c(C)cccc1C 1760172912 CXSNJFNYYGCWGO-UHFFFAOYSA-N 447.608 4.600 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@H](C)C1 1760197716 HLPRTOLHIQHGFJ-JKSUJKDBSA-N 445.792 4.870 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](SC)C(C)(C)C 1760221295 QRMDAVBLLOOFBF-QFIPXVFZSA-N 433.625 4.591 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@H](C)C1 1760244328 QRMXZGPYCUXLJV-ICSRJNTNSA-N 449.624 4.899 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ncc(CC)s1 1760343090 YASDEQJKOVLNNC-UHFFFAOYSA-N 432.391 4.939 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1cnc(C(C)C)nc1 1760353297 NADVCDXTAZUMGR-UHFFFAOYSA-N 440.979 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1760410716 ONCCUYXMLNQGPC-GGAORHGYSA-N 448.615 4.885 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)(C)C)CC1 1760426552 WXNMGZGLQFNLOR-UHFFFAOYSA-N 434.588 4.877 30 10 IJEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760453186 XPKZVJFOBGHOTP-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1csc(-c2ccco2)n1 1760456020 FLYUZTRSHFMIMY-HNNXBMFYSA-N 439.516 4.944 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([S@](C)=O)CCC1 1760491807 VAAWPBKRBYUPOE-NDEPHWFRSA-N 439.412 4.732 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCC1(F)F 1760501037 FQJJFHOUNHQQNL-FQEVSTJZSA-N 441.526 4.918 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOc1ccc(OC)cc1 1760507376 BYOHODGQZXLLMB-UHFFFAOYSA-N 438.597 4.985 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)S[C@H](C)C1 1760533639 KMKJNVHLWHBURH-HDICACEKSA-N 440.638 4.874 30 10 IJEE CC(C)COc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)c1 1761139236 FCNMYEWGGSYCMD-RCZVLFRGSA-N 437.588 4.733 30 10 IJEE COc1ccc(/C=C2/SC(=NN=Cc3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 1772757139 AJQOVRMDJHTLOT-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE Cc1nc2ccccc2n1-c1ccc(C(=O)N=C2NN=C(c3ccccc3)CS2)cc1 1859758041 FVWKTVHSALHLAD-UHFFFAOYSA-N 425.517 4.571 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1O 1862480547 JFHWYIWPBFXDJX-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862558445 UUAPNGUUCABQBG-JOCHJYFZSA-N 447.491 4.646 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(F)cc1F 1862572630 JZBWIOWBZKUXPS-NRFANRHFSA-N 445.462 4.751 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)cc2)cc1OC 1862576276 QUKBAEGBOVFHBA-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(N(C)C)cc1 1862594582 GORJSDHUJPGLQA-VZPUWSDOSA-N 434.536 4.615 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862605168 NJMYPUVFARSOES-GERBCZOESA-N 447.531 4.923 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(OC)cc1 1862653576 RTPQDUMFZSJESR-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(O)c2)c1 1862698988 PRIBVUHDPWIDCP-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCO)cc1 1862719816 PFXMEMUPLUUCGJ-HSZRJFAPSA-N 429.516 4.708 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1862735369 JCMRZHBBFROMCZ-QFIPXVFZSA-N 446.434 4.555 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccco1 1864462687 BDFPYQLHLMSZDT-HXUWFJFHSA-N 448.567 4.851 30 10 IJEE CC[C@@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(C#N)cc1 1866883429 MTMPBJOFWJOOEQ-OAQYLSRUSA-N 438.487 4.822 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C 1868696149 RLWLJPIAOFOVAE-FTJBHMTQSA-N 448.607 4.758 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)c2ccc3cc(Cl)ccc3n2)c(C)c1 1870111450 OEKQMXCRUWXKSM-UHFFFAOYSA-N 430.899 4.577 30 10 IJEE C#CCOc1cn(Cc2ccccc2Cl)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870299130 WOFQIJJMKGHLGC-UHFFFAOYSA-N 449.963 4.872 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871029300 ROAZJQZXCGDJQI-UHFFFAOYSA-N 432.948 4.576 30 10 IJEE CCc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1C[C@H]1CCCO1 1871252374 XRILGHNKLIYXIE-XMMPIXPASA-N 443.547 4.652 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4[N+](=O)[O-])c3C)C2=O)cc1 1871371370 WNBZYJVLAOEGEW-BKUYFWCQSA-N 431.400 4.747 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3C(=O)O)c2C)C1=O 1871430642 MBPVBKOZYRBYTG-XKZIYDEJSA-N 443.455 4.635 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)C1CC1 1872203776 QUCMFWLSKQOSIJ-HSZRJFAPSA-N 426.582 4.605 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872225717 WEBVHJCZVGIPFM-LJQANCHMSA-N 441.380 4.833 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1C 1872765681 UUKLNHDIBZODJD-CJISVDGZSA-N 432.501 4.788 30 10 IJEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] 1872779927 UTQWOPUGSFMHOK-CYBMUJFWSA-N 428.420 4.553 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cc(Br)ccc1O 1874298590 ISDSWVLZYRTASW-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccnc2)cc1 1874306602 GMAWHKGGFWPAIC-JVWAILMASA-N 447.539 4.781 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(Cc2ccccc2F)nnc1SCc1ccccc1 1874375682 IRPMBGWVGUUWMU-CVKSISIWSA-N 446.507 4.881 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(Cl)cc1 1874524269 GMQZDOFCOWYPPH-FSJBWODESA-N 427.961 4.724 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)CC(C)(C)C 1875149953 PXMRSNZAPFWYLJ-SOFGYWHQSA-N 426.465 4.670 30 10 IJEE COc1cc([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c(Br)cn1 1887368746 WESASTMWTMLPIQ-KRWDZBQOSA-N 432.318 4.855 30 10 IJEE C=C(COCc1ccccc1)[C@@H](COC1CCN(C(=O)OC(C)(C)C)CC1)NCCC 1922054928 NOLNMOOSAGVAGA-HSZRJFAPSA-N 432.605 4.544 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2000547915 KUJTVJGLRNUQPN-IWLLQYOYSA-N 434.541 4.509 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074146234 WDDTWLDKJFOIFA-AREMUKBSSA-N 443.584 4.793 30 10 IJEE COC[C@@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)CCCCO1 2146067218 WWYQWJTXMZCNLA-YLJYHZDGSA-N 439.350 4.668 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)CC1CCN(C(=O)OC(C)(C)C)CC1 2174571953 XFWCSAPSNQCDFS-UHFFFAOYSA-N 436.394 4.790 30 10 IJEE C[C@@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1c1cc(Br)cc(F)c1C#N 2174809854 FNGMDMZKKPLLCD-KGLIPLIRSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1C#N)C1CCCCC1 2181113856 DLQMEMTWJYHWAY-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)cc1Br)c1ccccc1 2181144342 SDWATEOJZRJRKB-UHFFFAOYSA-N 430.302 4.701 30 10 IJEE CN[C@@H](C#CC(C)(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2213337177 SNJANDFWZUHHOK-QFIPXVFZSA-N 427.633 4.574 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1CCC 2224251587 YBJKPSRJNWAHRS-YOEHRIQHSA-N 429.403 4.566 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC(F)(F)C[C@@H]2CC#N)c1 2233995040 PPARBNVYBPVPLR-AWEZNQCLSA-N 444.276 4.560 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235732868 SPDVJJPKZQFKNM-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE COc1ccc(C#C[C@@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)cc1 2237751694 PYSZBHZLHBVPPT-LJQANCHMSA-N 432.314 4.890 30 10 IJEE C#CCCN(C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243924358 FQFUPYCCNBNNDN-SANMLTNESA-N 444.575 4.954 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 2255617502 VNPGXXBPLGXTJS-OLMNPRSZSA-N 430.354 4.693 30 10 IJEE C=CC[C@@]1(COc2cc(F)cc(Br)c2N)CCCN1C(=O)OC(C)(C)C 2272244060 ZFNILGDDXWKDAR-IBGZPJMESA-N 429.330 4.895 30 10 IJEE C=CCCC1([C@@H](NC)c2nc(C(C)C)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2281038611 UYRXQHDMEZBYKJ-HNNXBMFYSA-N 441.414 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@@H](N)C#Cc1cccc(Br)c1 2296275267 YOKXNENVPGEVCC-HKUYNNGSSA-N 447.398 4.724 30 10 IJEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296290391 CIYXFZGYZKDJAM-SFHVURJKSA-N 435.406 4.992 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2296305435 UBCDNXTUQVLGIM-ICSRJNTNSA-N 433.390 4.592 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 2296362985 WBLHVGDVQJVGJI-QHCPKHFHSA-N 447.462 4.859 30 10 IJEE CCOc1c(O)ccc(C=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c1[N+](=O)[O-] 2297366909 WZSITKMSMMVDAB-UHFFFAOYSA-N 433.873 4.553 30 10 IJEE CC(C)N[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC1(C)C 2318386831 GAESDOFWECZGOH-XCZPVHLTSA-N 432.656 4.927 30 10 IJEE Fc1ccc(COc2cccc(C=Nn3c(S)nnc3CCc3ccccc3)c2)cc1 2321958786 MDOIQYJFWXYGTK-UHFFFAOYSA-N 432.524 4.952 30 10 IJEE Cc1ccccc1NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)OCCO2 2322667447 DRYBDJXNZPXSFW-UHFFFAOYSA-N 429.472 4.680 30 10 IJEE C=CCN(CC=C)Cc1c(O)cc(C)c2c1OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O 2324082635 WRCOKBDTEFQPCH-UHFFFAOYSA-N 444.531 4.991 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O)NCc1ccco1 2325558970 CUQWOWDLUVNJMR-UHFFFAOYSA-N 444.270 4.898 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(F)cc1 2326603878 HYYXBBCKRSKRMU-UHFFFAOYSA-N 448.523 4.503 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(O)c(OC)c2)CC1 2328194978 YXAIZRPODVJZID-UHFFFAOYSA-N 446.617 4.813 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccco2)cc1 2328336011 OVZMHXYBHQEECG-UHFFFAOYSA-N 434.521 4.942 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3cccs3)n2N=Cc2cccs2)o1 2330379534 SOQOJSPNSCQFDQ-UHFFFAOYSA-N 444.563 4.546 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 2330620311 IZDMUVULBQYTKW-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccc(F)c1 2331349384 OPVLXPBDXBOUMH-QGZVFWFLSA-N 439.560 4.612 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 2331399985 WNMYAZADOMRFSM-UHFFFAOYSA-N 449.390 4.620 30 10 IJEE CCCOc1c(C=Nn2c(COC)nnc2SCc2cccc(F)c2)cccc1OC 2331562796 CZZBPQBZKJMWGV-UHFFFAOYSA-N 444.532 4.536 30 10 IJEE C[C@@H]1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339582808 SHBZPGZWHBFQEV-MJGOQNOKSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCC[C@H](CN(c3ccc(C#N)c(Br)c3F)C1)C2 2358294590 HTLSYDVBJKTWSH-RBZFPXEDSA-N 438.341 4.734 30 10 IJEE CC#CCN(C[C@H](Cc1ccc(Br)c(F)c1F)NCC)C(=O)OC(C)(C)C 2363120382 UHBYFJRFEUPUHW-HNNXBMFYSA-N 445.348 4.508 30 10 IJEE Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)cc1 10442171 DVASQRQEIWRHGC-KRWDZBQOSA-N 440.528 4.685 30 10 IJEE C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1 32291462 KZXMQZRTKINFFZ-XDHUDOTRSA-N 425.488 4.984 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4cc(F)cc(F)c4)C3=O)cc2)c1 34734395 NWDDQZVDIGUGST-UHFFFAOYSA-N 446.457 4.921 30 10 IJEE Cc1cc(OCC(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)cc(C)c1Cl 38618333 HJOCCVAFNLCGPG-UHFFFAOYSA-N 428.916 4.771 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccn1)C3 41646477 OCENXMDYZAICBE-QRVIBDJDSA-N 428.488 4.757 30 10 IJEE O=C(C[C@@H]1S/C(=N/c2ccccc2)N(CCc2ccccc2)C1=O)Nc1ccccc1 101662100 PRGAWTBLXYPNFS-GOTSBPSXSA-N 429.545 4.890 30 10 IJEE COc1ccc(-c2cc(=O)[nH]c(N/N=C\c3cc(Cl)c(OC(C)C)c(Cl)c3)n2)cc1 169897240 ZCMSOCFIBPFRMY-MYKKPKGFSA-N 447.322 4.986 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921542 PEQPNTGZOWEJCR-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)c1 170047947 KXNULAPVQRBKTR-HSZRJFAPSA-N 428.488 4.544 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 170049825 RONKVFZOVFNNEC-VWLOTQADSA-N 441.483 4.560 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(N(CC)CC)cc1 170138646 PONQAKAMWPDZMY-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F 170246943 CMVCZGTUWHOAGU-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170247997 DMESDDSFSLTQHQ-JOCHJYFZSA-N 433.410 4.683 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1 170251379 MAICKENUNNGHSL-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@@H]2c2ccco2)c1 170278797 CUPRCXZNRNFWOV-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@H]2c2ccco2)cc1 170284692 MVHNUQCDKCWDRQ-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccco2)c1 170297305 BJWQZUMZAGXXBG-OAQYLSRUSA-N 443.459 4.728 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccccn1 170478710 VLDWUPFIFMYCQT-HSZRJFAPSA-N 428.488 4.786 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(OC)ccc1Br)NCC 407532557 RDQPMVSDDOKWMT-RTBURBONSA-N 441.410 4.838 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2C 439944182 SFNXORIQMQLFJN-QZTJIDSGSA-N 428.540 4.788 30 10 IJEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1C 460772043 YAJKTIYPBCFWOF-HXUWFJFHSA-N 431.588 4.534 30 10 IJEE CC1(C#N)CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)CC1 506898581 PYYFYRLBULBWKM-UHFFFAOYSA-N 436.943 4.977 30 10 IJEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 506959344 AEFMYCUTGSAVSQ-CYBMUJFWSA-N 444.900 4.567 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)Cc1nc(C(C)(C)C)cs1 507539835 ZOLVTUUWJKWMLE-UHFFFAOYSA-N 436.990 4.512 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508472098 IPXKHECTFHKQKR-UHFFFAOYSA-N 440.494 4.678 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c2nccn2C)cc1 517474310 ZZJOONWXGIONSP-HRAATJIYSA-N 435.553 4.592 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)cc1 519456398 GLIWGROZNUTFDR-FRGLQRNOSA-N 434.536 4.858 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 521736149 DYORQPZALTZOMT-QFIPXVFZSA-N 442.947 4.783 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(F)cc1 526827230 UPZTWGCCLPAVOD-OYKKKHCWSA-N 426.517 4.721 30 10 IJEE Cc1cc(C#N)ccc1-c1nc(Cc2nc(O)c3c(-c4ccccc4)csc3n2)no1 546953245 AQYOWYBPGGFUPI-UHFFFAOYSA-N 425.473 4.885 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 549285631 MOUQFANLCWSVKT-HNNXBMFYSA-N 430.553 4.802 30 10 IJEE C=CCn1c(SCC(=O)c2ccnc(C(F)(F)F)c2)nnc1-c1cccc(OC)c1 569643594 NXTLMUDRQYKUAG-UHFFFAOYSA-N 434.443 4.529 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)c1 586002279 PBAUDMWOFBKJEY-HSZRJFAPSA-N 449.595 4.632 30 10 IJEE CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 609403958 NCQTVEAFNUAANI-KRWDZBQOSA-N 427.545 4.845 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)cc(Br)c1 698371600 JABGLIKGTKEACT-CQSZACIVSA-N 448.155 4.660 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 735306739 SEAVXHFFVMYJKS-UHFFFAOYSA-N 438.984 4.684 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(F)c(Cl)c1 742215533 YWYRCBZPXXGSRM-LJQANCHMSA-N 443.931 4.853 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H]1CCCN(C)[C@H]1c1cccs1 742373193 HKWWFEYMZLAZOR-IIBYNOLFSA-N 433.415 4.695 30 10 IJEE Cc1cc(Br)ccc1N=Cc1cc(Br)c(N2CCOCC2)o1 1084066037 QRYGHUZRCWNHIS-UHFFFAOYSA-N 428.124 4.700 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)c1 1125294319 PNJQPHGWMQZQJE-DEOSSOPVSA-N 432.907 4.505 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 1125779037 ZXBCSBFVYUVLOO-NRFANRHFSA-N 428.557 4.933 30 10 IJEE C#CCN(C(=O)c1cc(F)cc2ccncc12)[C@H]1CCOc2ccc(Br)cc21 1126150860 JORMYHFYPKMRLJ-FQEVSTJZSA-N 439.284 4.736 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(-c2ccc(Br)cc2)n1C 1126159384 AQUOGYVGRQHPNM-UHFFFAOYSA-N 425.326 4.949 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N(CC)c4ccccc4)cc3)cc2C1=O 1126207849 MOPBRYNTZXMSQK-UHFFFAOYSA-N 439.515 4.557 30 10 IJEE COc1cccc([C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c2cc(F)ccc2OC)c1 1126899154 AEFVDSKGGRBPHL-CRICUBBOSA-N 432.495 4.799 30 10 IJEE C=CCCn1cc(C(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)nn1 1127476775 OFUDVPXYADVYCO-FQEVSTJZSA-N 448.420 4.562 30 10 IJEE C#CCOc1ccc(COC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 1127867096 LBLYWAZRVBRYKY-RUZDIDTESA-N 427.500 4.612 30 10 IJEE C=CC(C)(C)CNC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1128871366 NTMVDWKENUZGFF-IBGZPJMESA-N 432.564 4.976 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(N(C)C)c2ccccc2n1 1129702291 DTWZORHSHVTGFB-UHFFFAOYSA-N 426.314 4.880 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1130302707 HJDJPNHUQUVFMC-IIBYNOLFSA-N 430.317 4.970 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)c1 1133842818 GJXVYCIDRIYFHY-UHFFFAOYSA-N 428.279 4.766 30 10 IJEE C#CCN(C(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1158447732 MWYLKZWNIHKSNP-XMMPIXPASA-N 448.950 4.661 30 10 IJEE Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1191155509 GMVWGQHVAOMURG-RXVVDRJESA-N 430.552 4.743 30 10 IJEE C=C(C)[C@H](NC[C@H](O)COc1cc(F)cc(Br)c1)c1ccc(F)c(F)c1 1193574999 KTNSQZIHZQAEDS-KXBFYZLASA-N 430.264 4.513 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1OCC 1201473209 IZOJKKGBORZFSO-DQLDELGASA-N 436.390 4.850 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1cc(Br)cc(I)c1 1207990441 RQEGZBXMGRRYHI-JTQLQIEISA-N 437.119 4.920 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 1228656284 XUYMOAPHXVYREP-UHFFFAOYSA-N 445.513 4.563 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1CNC(=O)c2ccccc21)c1ccc(C)c(C)c1 1264255483 YATKTXNJQULTLG-RUZDIDTESA-N 440.543 4.929 30 10 IJEE C#CCOc1ccc(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)cc1 1265521228 UUSOEHZCYUOHLU-DEOSSOPVSA-N 435.907 4.889 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1286344432 PSFNQZBPSWFGMI-QFIPXVFZSA-N 438.959 4.863 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](OC)C(C)C 1286518697 YQUDACYLWTWICQ-NTKDMRAZSA-N 426.630 4.939 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(SC)CCOCC1 1286566545 IIPLAGJFLFBQRU-SFHVURJKSA-N 448.608 4.872 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1286568324 VYDFEOGPGQTSEN-JTHBVZDNSA-N 438.616 4.949 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286612414 UXUOCZIXRWWQHG-UHFFFAOYSA-N 429.512 4.640 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1286621936 KTQFJDAJZZKNSF-IEBWSBKVSA-N 443.979 4.620 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286669107 YWLVSYZHPUSEPK-CRAIPNDOSA-N 438.494 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCOCC2)C1 1286695828 KIILWEPJHWQKRE-UHFFFAOYSA-N 437.371 4.604 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286698387 WUCNCMXSVAJVNY-KRWDZBQOSA-N 447.505 4.951 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CSCCS1 1286731039 XKUYLGPZFDOLNM-AWEZNQCLSA-N 445.441 4.635 30 10 IJEE C=CCc1cc(C(=O)N2CCc3cc(C)c(Br)cc3C2)cc(OC)c1OC 1289222360 BKQOBGCMGLPDBM-UHFFFAOYSA-N 430.342 4.702 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1292746714 PAEAGNKMZYPLEB-QHCPKHFHSA-N 447.535 4.691 30 10 IJEE CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1293754575 ABTWOANUTUWWHO-QHCPKHFHSA-N 427.570 4.844 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccsc1)N(C)C 1300325102 SOYYWDHSZWJMRR-NQIIRXRSSA-N 439.654 4.701 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ccc(C)o1 1300741083 MGWSDHAMNPNZGB-UHFFFAOYSA-N 431.565 4.706 30 10 IJEE C=C(Br)Cn1c(N(C)OC2CCCC2)nnc1C1(c2ccccc2)CCC1 1300861613 KZMVGPKVHIKICW-UHFFFAOYSA-N 431.378 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CC1 1300877089 UIUDKACANILEPA-KXBFYZLASA-N 449.368 4.674 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(CCC)CCC2)CC1 1301064047 NSXLNHFXSXVWOV-UHFFFAOYSA-N 442.007 4.988 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@](C)(O)[C@@H](C)CC)CC1 1301134750 OCKWHHAKQNSKSG-CPJSRVTESA-N 426.605 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N(CC)Cc1cnn(C)c1 1301141572 OVEKOTFWECKGIX-UHFFFAOYSA-N 429.572 4.856 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C(=O)OC)CC1 1301231383 JBRXUBWLSIJCCK-UHFFFAOYSA-N 440.588 4.645 30 10 IJEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC(c2nccs2)CC1 1301234664 ONOCDQILTJYRAK-UHFFFAOYSA-N 439.585 4.672 30 10 IJEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1301259717 PSZVJVJYFCKJMC-SFHVURJKSA-N 438.494 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(OC(C)(C)C)nc1 1301282882 NCNSJCXHBUTNTC-UHFFFAOYSA-N 428.540 4.736 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)c1c(C)noc1C 1301410262 AXSGRFQVHHYOQU-KRWDZBQOSA-N 446.555 4.885 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1311610467 BNXCXBGLQGDFJS-HOJAQTOUSA-N 431.577 4.695 30 10 IJEE C=CCC[C@H](CO)NC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 1312248387 XACFPLLLUZURNR-UONOGXRCSA-N 438.391 4.568 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)CC1(Br)Br 1350407283 IHNVZMWITWGRLA-GFCCVEGCSA-N 427.589 4.812 30 10 IJEE COc1ccc([C@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c2ccc(F)cc2)cc1 1355457158 IFDSENHMJKSDKY-RUZDIDTESA-N 440.478 4.720 30 10 IJEE C=CCc1cc(CNC(=O)C(F)(F)c2cccc(Br)c2)cc(OC)c1OC 1357245783 ALOZTRPYYWFHHZ-UHFFFAOYSA-N 440.284 4.603 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1358907142 DWGSEHGDTZJAID-SFHVURJKSA-N 430.955 4.673 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1358907720 YMYRHSQCSJEPKO-NRFANRHFSA-N 435.597 4.654 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1358935955 YGOIHYJTZDEWKC-IBGZPJMESA-N 442.629 4.776 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@@H](F)C1 1358988586 VTUKMFWUADRIKR-IEBWSBKVSA-N 443.364 4.617 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1359101665 QTYOGXGRAJHHKZ-VGOFRKELSA-N 430.980 4.510 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CC)C1 1359129651 IRPUAHNJDBOQEE-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC[C@H]2OC)CC1 1359161237 VMPBKSKTRRLEBK-DNVCBOLYSA-N 449.368 4.818 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1359212540 OXECMIHQRFNQMG-LJQANCHMSA-N 435.538 4.930 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCOc1ncccc1Cl 1359258263 KVGAAXSIXBMAOI-UHFFFAOYSA-N 434.931 4.593 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1359258961 IEYOCFYQSUUEAV-AOYPEHQESA-N 445.611 4.908 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1359285688 BSEKKVJHAXRTTA-OAQYLSRUSA-N 430.618 4.896 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN2CCCC2)C1 1359729634 DYFSGJLVUPYZPY-HSZRJFAPSA-N 434.632 4.811 30 10 IJEE COc1cc(OC)cc(Oc2ccc(CNC(=O)c3cc4ccccc4n3CC#N)cc2)c1 1436233118 BXMIPYRUSSUWAA-UHFFFAOYSA-N 441.487 4.904 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c1 1436725896 DLRZXADUQNJQBQ-HXUWFJFHSA-N 437.927 4.621 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1nc(C(F)F)cc1C1CC1 1436958183 DOKHDJGDALQTDP-LBPRGKRZSA-N 426.389 4.658 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 1441189178 CEIVCIFZRXLYKR-LJQANCHMSA-N 427.382 4.745 30 10 IJEE C=CCn1c(S[C@H](C)c2nc(C)cc(O)n2)nc2sc3c(c2c1=O)CCCCC3 1458726267 JMLWBIOPAVIJGY-CYBMUJFWSA-N 428.583 4.570 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 1458874821 MPWITPJAOQOTJT-IRXDYDNUSA-N 444.567 4.522 30 10 IJEE CC(C)CN(CCc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3)Cc1ccc(C#N)cc1 1459373875 ARNUQVRMOUVOBB-KRWDZBQOSA-N 433.625 4.971 30 10 IJEE COc1ccc([C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)c2ccccc2)cc1 1460400369 FIIFUFUKFPXRLO-HHHXNRCGSA-N 427.548 4.938 30 10 IJEE C#CCCOc1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 1461681473 FSUVUKIZAVXAJH-URLMMPGGSA-N 440.587 4.855 30 10 IJEE COC[C@H](C)N(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1cc(Cl)ccc1C 1462074672 ABBKUKVJZSQERJ-FUHWJXTLSA-N 429.923 4.554 30 10 IJEE C#C[C@H](NCc1csc(N(C(C)=O)c2ccc(OC)cc2)n1)c1ccc(Cl)cc1 1462308034 YKAKGUNKQSBTTR-NRFANRHFSA-N 425.941 4.954 30 10 IJEE CC[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1463248160 GFJWUJUCFDCNJM-UXHICEINSA-N 433.371 4.668 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2ccc(/C=C\c3ccc(OC)cc3)cc2)c1 1463788543 AXGUVSYXAGHUNZ-FPLPWBNLSA-N 449.528 4.549 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC)c2cccc3ccccc23)cc1 1465259537 XGEYZRIUHSOKHJ-HSZRJFAPSA-N 437.565 4.919 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 1465529543 PVOZEUWVEFKOIL-GASCZTMLSA-N 431.524 4.750 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NC3(Cc4ccccc4)CCOCC3)c2)nc1 1465730088 HDXKKNUVLCJCMN-UHFFFAOYSA-N 428.492 4.659 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 1467295138 GBPBLUVPHHESRX-ZEQRLZLVSA-N 440.503 4.881 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc21 1467381069 YQBFCIZWPHVJLU-UHFFFAOYSA-N 432.311 4.632 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1)c1ccc(C(F)(F)F)cc1 1469490908 GQSPHDMVKNEPGK-PBHICJAKSA-N 437.428 4.991 30 10 IJEE C#Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 1474894381 TZLKJAHJLHKHBN-UHFFFAOYSA-N 431.344 4.761 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2cccc(OC)c2)CC1)c1ccc(Br)cc1 1478896040 JMZXBZRASNDBLH-OAQYLSRUSA-N 427.342 4.721 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C/C=C\c1ccccc1 1507523683 QBSNGPUAFGFNJK-MEODZPNASA-N 427.371 4.940 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCc2cccc(Br)c2C1 1507578256 WVXSJYHVXKHLNV-UHFFFAOYSA-N 425.330 4.585 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CC12CCOCC2 1507695432 YSEJBQOPRWNFGW-NRFANRHFSA-N 436.600 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507763898 FWKSIRMBAKGWQA-MFSJNOQSSA-N 442.510 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCC(OC)CC1 1507805583 CNDSXILYWDVNIA-UHFFFAOYSA-N 439.604 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCC[C@H]1C 1507816580 OSWMRMZCCYHFDK-KBMIEXCESA-N 442.604 4.694 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1507846578 QCYCGSSIXIRMMN-HXUWFJFHSA-N 426.561 4.656 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1507931928 ITBXFTRGNSCJKG-YLJYHZDGSA-N 443.567 4.790 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2)CC1 1507944893 WVHZPRCQNLYQCX-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1SCCc2ccccc21 1507986996 KYFSOYJAIPBWPZ-NJDAHSKKSA-N 426.630 4.850 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@@H](C)C1 1508014004 UMXNOAJFLATZNZ-DLBZAZTESA-N 431.378 4.701 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@@H](C)[C@H]1C 1508046583 CIYVERBTZMZLIX-NEPJUHHUSA-N 427.799 4.877 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@@H]2CCCCO2)C1 1508118844 XMTNHRPDVBEEOM-OALUTQOASA-N 448.970 4.868 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1508150003 GNRHFWLKSIMTQL-HXUWFJFHSA-N 433.021 4.913 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCCC2)CCCC1 1517946766 DODOICMDLBEYIZ-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1521114306 BJWSUSDCZGXKSB-HSZRJFAPSA-N 448.533 4.823 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccn(CC(C)C)n1)c1ccc2c(c1)OCCO2 1522213310 XLOCTULTTBYXKG-UHFFFAOYSA-N 447.535 4.722 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)NCc2cc(Br)ccc2F)c1 1524029866 COAUIZXGPYPKIE-UHFFFAOYSA-N 439.284 4.969 30 10 IJEE COc1ccc(Br)cc1-c1nc(C(=O)Nc2ccc(CC#N)cc2)cs1 1524868722 AGLZNZOAFWNCGV-UHFFFAOYSA-N 428.311 4.900 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(-c2cccc(OC)c2)nn1)c1ccc(C(F)(F)F)cc1 1526560227 JEOWSQFUNGCHBI-IBGZPJMESA-N 430.430 4.732 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cnn(-c3ccccc3Cl)c2)CCCN1C(=O)OC(C)(C)C 1528842824 ZXMVBEZCKKCVTC-QFIPXVFZSA-N 430.936 4.810 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)cc1 1529029632 XDFCJFQVCMGGNC-UHFFFAOYSA-N 431.439 4.802 30 10 IJEE C=CCC(F)(F)C(=O)N1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1529258921 CXLBXPJZPJTMKC-WOJBJXKFSA-N 436.543 4.963 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cccc(COC)c1)c1ccc2c(c1)OCO2 1529765224 XWOBNDURYDFTAU-UHFFFAOYSA-N 445.515 4.902 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)cc1OC 1535131454 VBHOTBBVRJSPSR-NNRIVUTJSA-N 434.580 4.692 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CCN(CCC)CC1 1538985067 VSVBMRQASFRCBS-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C)s1 1539534656 VVKVAZGHJLWHPJ-XMMPIXPASA-N 433.581 4.558 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C)C(C)(C)C1 1539599843 GBMOUNCWJQAYSU-OAHLLOKOSA-N 433.394 4.659 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCSC(F)(F)F)CC1 1539874276 DBCGHICVBMXMSN-UHFFFAOYSA-N 442.507 4.618 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cc(C)cc(OC)c2)CC1 1539896887 WBXWKQKIOUNOHQ-DHIUTWEWSA-N 438.616 4.964 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1nc(C)no1 1540051994 UHPXDHMXDNRCRV-UHFFFAOYSA-N 428.949 4.760 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCCc1nccs1 1540147237 OFUNZTZJPXGANG-QGZVFWFLSA-N 429.615 4.516 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1Cc1nc2cc(Cl)ccc2s1 1540186370 BRJYLHBOXUOWFY-UHFFFAOYSA-N 427.961 4.980 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)c(C)o1 1542137735 FBHGOQOEQNKEOA-BKMJKUGQSA-N 447.583 4.807 30 10 IJEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCC2CC(OC(C)(C)C)C2)c1 1542666565 AKBCIRMPGHMNRR-VRKFHHGPSA-N 439.604 4.745 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1OC 1543089151 KBVXNROIQSGRCN-QBFSEMIESA-N 438.524 4.937 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)c1ccc(Cl)cc1F 1556559569 KYMLDAGNIJTZGS-UXHICEINSA-N 430.907 4.844 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(OCCC)c(OCCC)c2)C1 1557240027 QOVCEGJPEDUXOW-HXUWFJFHSA-N 433.548 4.981 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CCc2cccc(F)c2)C2CC2)n(-c2ccccc2)c1C 1559546731 DDIJFFAPRRAVKT-UHFFFAOYSA-N 430.527 4.751 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2c(C(=O)OC)sc3nc(C)ccc23)cc1OC 1583382389 VVDWWKREEPQPSB-FLIBITNWSA-N 438.505 4.617 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)s1 1584197726 ACYJXHWTTAXJKT-SJCJKPOMSA-N 429.032 4.719 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[C@H]1CCCCO1 1588265599 FCGOBIQDLDJBNR-AZUAARDMSA-N 430.980 4.880 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(OC)CC1 1588985542 UQWVIXVKPLYTMI-XUZZJYLKSA-N 426.630 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1CC 1589506209 SUPVNOBOQVAJDG-BLIXFSHQSA-N 430.980 4.967 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1cccc(O)c1 1593684025 RCCCNNZKKJSWPJ-XLIONFOSSA-N 441.576 4.829 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1594409290 VJSRNLAHJMDNMT-RCZVLFRGSA-N 438.616 4.753 30 10 IJEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1594608948 ZDKZDXAPAGWEDB-JTHBVZDNSA-N 432.572 4.696 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1594635712 YVMIBBKLQYKRKN-GOSISDBHSA-N 444.004 4.913 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1594644527 CJHZTABWMCZOQW-LADGPHEKSA-N 436.648 4.711 30 10 IJEE C=CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](COC)C1 1594679236 BKGMATAMXIPXRJ-AZUAARDMSA-N 448.995 4.506 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H]1CCCOC1 1594692875 JKPLIJYGFHZAGL-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](CN2CCCCC2)C1 1594698446 RDTTUOBOCQDKET-IBGZPJMESA-N 444.023 4.886 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC(C)(C)C1 1594788580 PPZDFCUOXYFKCM-UHFFFAOYSA-N 449.599 4.561 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC1)C1CC1 1595021285 WSQNESIBDVHPGW-QZTJIDSGSA-N 430.980 4.880 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1595065035 HCPMWRJDXWQEDE-UNMCSNQZSA-N 438.616 4.995 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](SCC)C1 1595658497 FOFNVZBQCGHHGD-SFTDATJTSA-N 442.629 4.507 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1595844617 FMWHFOZMDNMZKW-LJQANCHMSA-N 437.613 4.584 30 10 IJEE C#CCC1(NC(=O)c2ccc([C@H]3CCCCN3C(=O)OC(C)(C)C)n2C)CCCCC1 1597388220 WMYZUFLUOUDAQC-HXUWFJFHSA-N 427.589 4.943 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1C 1613313424 WBEFDFSHGGFZCA-UHFFFAOYSA-N 434.609 4.992 30 10 IJEE CN1CCN(/N=C2\CC[C@]3(C)[C@H](CC[C@@H]4C5=CC=C(C6=CC(=O)OC6)[C@@]5(C)CC[C@H]43)C2)CC1 1614467128 ODDWMTINKZQETM-ULWZANTOSA-N 449.639 4.572 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2Cc2ccsc2)cc1 1616402959 HDSXQTPJVCCVQP-QGZVFWFLSA-N 437.569 4.667 30 10 IJEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@@H]1CCCc2ccccc21 1617566206 HOJCFXUOVLXUFD-HXUWFJFHSA-N 440.996 4.793 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)c4cc(Cl)ccc4n3)c2C#N)C1 1618705270 CGJFRLCXPIQPCM-UHFFFAOYSA-N 445.331 4.632 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 1621744507 INEULXPJPBZEBF-UHFFFAOYSA-N 426.519 4.650 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(Br)ccc2Br)cc1 1622757420 SBJORXFLOUFDEZ-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(F)cc(Br)cc1F)c1ccc(Br)cc1 1623153822 VYAVUMFWMOBWBT-CQSZACIVSA-N 444.073 4.986 30 10 IJEE C=CCCCCCCNC(=O)Nc1cc(C(=O)OCC)ccc1I 1626964176 SBGKERWVSLVHGY-UHFFFAOYSA-N 444.313 4.726 30 10 IJEE C#CCOc1ccccc1CNC(=O)NC[C@@H](CC)Cc1cccc(Br)c1 1631792066 AOIYTRYVBFWXET-KRWDZBQOSA-N 429.358 4.529 30 10 IJEE C=CCCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1ccccc1 1636852038 UJRCQRXKQFTORM-FQEVSTJZSA-N 439.499 4.779 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1 1641006601 WPHCOTRMDFBGRK-DLBZAZTESA-N 426.916 4.534 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)ccc1OC 1651116337 GZSSNRDDBQZTNT-AVRDEDQJSA-N 426.532 4.631 30 10 IJEE C=CCn1c(SCc2ccc(C#N)cc2OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652349043 KAFIPZHUQCZELF-AWEZNQCLSA-N 437.590 4.941 30 10 IJEE C=CCN(CCc1ccco1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 1653045691 UZSMXPCROWDYHJ-QFIPXVFZSA-N 437.927 4.934 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(c3ncc(C#N)cc3Br)CC2)C1 1655664230 BCBZQIYKPLJCOS-KRWDZBQOSA-N 449.393 4.579 30 10 IJEE CN1CC[C@@H](CNCc2cc(C#N)ccc2Br)[C@H]1c1ccc(Cl)c(F)c1 1656020595 FDLNKGWQVYHYFR-MGPUTAFESA-N 436.756 4.896 30 10 IJEE C=CCn1c(SCc2ccc(Br)nc2N)nnc1-c1ccc(Cl)cc1 1656022602 LXDBAWUASFFOCX-UHFFFAOYSA-N 436.766 4.817 30 10 IJEE C=CCc1cc(CN[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc(OC)c1O 1662536313 KIXFGKKHWMDJBO-NVQXNPDNSA-N 449.522 4.809 30 10 IJEE C=CC[C@H](CO)NC(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1664790007 TXHKPBBAKKVKSN-QGZVFWFLSA-N 425.367 4.857 30 10 IJEE COCC(C)(C)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 1666035737 CTQYDLHSHPIAAK-NRFANRHFSA-N 440.975 4.570 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(OC)cc2C)c2ccccc2Cl)cc1 1667537879 BPFPMKMIEDPEOM-QHCPKHFHSA-N 425.937 4.706 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(S(=O)(=O)C2CCCC2)c1 1670212803 XKXRWSJPEYOBQL-UHFFFAOYSA-N 442.581 4.940 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1COc2cc(F)cc(F)c21 1672214247 IJONJBSJXYPPEP-AWEZNQCLSA-N 425.229 4.547 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(F)c(F)c1 1676285636 LJIBLFXRHKKELE-OAQYLSRUSA-N 425.435 4.927 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1 1682560316 IBGIZTCEBSTMJR-QFIPXVFZSA-N 426.582 4.947 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1689847350 XXCCOCSFRGCMMY-BEFAXECRSA-N 431.437 4.728 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@H](F)C1 1689950816 CEGIZQMWCXVUIG-JSGCOSHPSA-N 425.733 4.569 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)Cc1cccs1 1690001264 IFYYSLHYLPTACG-RTBURBONSA-N 436.556 4.570 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1CCCCC1 1690036852 DKYXHTGKSSUDNY-UHFFFAOYSA-N 445.655 4.970 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCO[C@H]1C(C)C 1690059173 KMJDKHFDAOZJOS-ZDXQCDESSA-N 438.616 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@](C)(CC)C1 1690241200 PPPWWSUNQVDFTC-QMHWCDLVSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC2CCCCC2)CC1 1690249343 XGHNIFWBHPAVGK-VWNXMTODSA-N 443.680 4.550 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1690419664 YJORGIQPDVQRLX-HXUWFJFHSA-N 425.621 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(C)c2C)CC1 1690426574 SHAJDMAMQXUIGN-UHFFFAOYSA-N 432.616 4.829 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CCN1CCCC(C)(C)C1 1690565284 FZFKLAOIRSIWIO-UHFFFAOYSA-N 444.627 4.579 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)C(C)C 1690581619 VNPZYWDFJGTAQW-RTWAWAEBSA-N 447.693 4.550 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1690742658 XHNGZPFRUMHDIJ-VQIMIIECSA-N 438.428 4.588 30 10 IJEE CCC1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CC1 1694485710 FFHLOJQQGYADKC-HXUWFJFHSA-N 438.334 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1cccc(C)n1 1705606803 GBONFTFTKLEGSP-SFHVURJKSA-N 433.625 4.927 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccoc1C 1705654289 CFQDNSHUFOUWMG-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705669555 PJOFAYCMTGSWJO-WUMKDDEVSA-N 444.526 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C)[C@H]1C 1705695238 AWUXVWKPLQOCQL-CIWUYKSXSA-N 432.515 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSCC1 1705695561 CDSLZSJDPFLUPE-SJBKTWHCSA-N 442.629 4.569 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1cccc(F)c1)C1CC1 1705722802 HWTVXSFFMVZPMA-UHFFFAOYSA-N 430.325 4.920 30 10 IJEE C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 1705750538 HKEMFKOPUVUQII-UHFFFAOYSA-N 439.007 4.804 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2ccnc2C)CC1 1705762798 IWPJFYRLEIIRHP-SFHVURJKSA-N 440.979 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOCC(C)C)CC1 1705779628 QAYFNPVCMBXUIX-UHFFFAOYSA-N 434.588 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705792997 JBAYTXPDBGNYBX-HSZRJFAPSA-N 447.631 4.829 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@@H]1C)c1ccccc1 1705798503 SZLKPSYAEFPROJ-MLDBQTBOSA-N 438.616 4.782 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCc1sccc1C 1705836646 ADKBQLKUYATUNN-UHFFFAOYSA-N 447.402 4.951 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CSCCS1 1705863076 HHTFVJGUMROLAX-HXUWFJFHSA-N 442.679 4.972 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C)C(C)C 1705867741 VAGHXIHKJOORTJ-GAJHUEQPSA-N 429.559 4.687 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705870299 FWDWRPNJVWHTPT-BCDXTJNWSA-N 432.515 4.929 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1OCC(F)(F)F 1705874364 LCJUAFHVRKGWMM-LJQANCHMSA-N 436.478 4.688 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC)C[C@@H]1CCCO1 1722326844 HPPHBQPCXKCKQZ-FQEVSTJZSA-N 435.597 4.796 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1722346906 BPLBBGMOXMOFSC-UHFFFAOYSA-N 445.995 4.751 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCCN1CCCC1 1722389552 UMCRHCOZWPNQJW-UHFFFAOYSA-N 445.655 4.972 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(CN2CCCCCC2)CC1 1722492297 RMYRSWMHCFPFNO-XWGVYQGASA-N 443.680 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1722515793 QCRBNZRJXAGUGW-UHFFFAOYSA-N 444.627 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOC(C)(C)C 1722516622 BUMHHMLXHOOHRF-SFHVURJKSA-N 435.613 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722520697 GKPQBSSWYJACNX-UHFFFAOYSA-N 445.615 4.552 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1Cc2ccccc2C1)C(C)C 1722666855 SCZJYGIARZMSRB-VWLOTQADSA-N 442.611 4.867 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1722674714 GLKQTKSBPIVWIH-GOSISDBHSA-N 445.608 4.707 30 10 IJEE Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)s1 1724357564 BBYDSJNYKQAXME-UHFFFAOYSA-N 448.640 4.873 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)c2nccs2)cc1 1724450000 GKSHGYNYUMQDCM-SJORKVTESA-N 426.615 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn(CCCCC)nc1C 1740552279 PMZWAZDIOVKOSE-GOSISDBHSA-N 439.007 4.724 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740577863 RHXRFFXLWHUDRO-UHFFFAOYSA-N 430.980 4.708 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1740595927 NGSCUPBKGQVZLN-KRWDZBQOSA-N 437.371 4.583 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC(C)(C)C)nc1 1740599865 GNFSWOOZKXUUJG-FQEVSTJZSA-N 447.583 4.725 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCS1 1740614018 CBNCRNGQFWKHBZ-HNNXBMFYSA-N 425.385 4.519 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC1CCC(C(F)(F)F)CC1 1740650755 MDNUZQJOJMFDDU-UHFFFAOYSA-N 444.501 4.785 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)[C@@H](C)C1 1740745849 HWNRSONGXVPGKL-STQMWFEESA-N 425.321 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CC)C1 1740766559 IUFURIRCVMAZJP-PWHSHALESA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCc1cnccn1 1740847872 WMTWUOPBHYSCSM-UHFFFAOYSA-N 443.555 4.671 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740865757 RLSLXYUOMUSEBX-FQEVSTJZSA-N 431.625 4.813 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCC(c2cnn(C)c2)CC1 1740880514 XNGLFCQHHHGRRF-UHFFFAOYSA-N 434.588 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(NC(C)=O)cc1 1740922226 YSSBVKDTSCCTPY-UHFFFAOYSA-N 444.564 4.601 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCC=C(C)C 1740938831 NAMOFZPVOWUQIB-UHFFFAOYSA-N 437.357 4.842 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1741003610 YMCLSVBOCOFULG-DWLFOUALSA-N 442.629 4.687 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1742868245 DCIHAILRCMSFDW-KSZLIROESA-N 448.571 4.620 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)cs1 1748372270 FYRRGGUVXLUECY-MRXNPFEDSA-N 448.552 4.567 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)CCC 1748639133 BYHXNMVXDXWHDL-IUKKYPGJSA-N 432.996 4.697 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1CCN(CCC(C)C)CC1 1748657568 DYNNVVHFDNWBDU-NRFANRHFSA-N 444.627 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCC1CC(OC(C)(C)C)C1 1748657762 IWHFJCMLNKRRTB-JSOIOWGOSA-N 431.584 4.935 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCO[C@@H]1C(C)C 1748946247 BTRJAWCOTKEFLF-WIOPSUGQSA-N 438.591 4.851 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](C)C1 1749218718 ULVUDXXLAHCYKM-QGZVFWFLSA-N 442.560 4.631 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@@H](C)C1)c1ccccc1 1749385709 TXVSIAXQXIZXPK-FXAWDEMLSA-N 439.654 4.935 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccnc1OCCC 1749473676 NTOZZICVKYOZDZ-QGZVFWFLSA-N 437.613 4.986 30 10 IJEE C=CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(F)(F)Br)C1CC1 1749514853 KRIRZROGHJTASL-UHFFFAOYSA-N 434.288 4.636 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[C@H]2C)C1 1749699147 ZVOMAVDZVJKEJZ-VQQMMKBISA-N 428.552 4.775 30 10 IJEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1750481076 GTBGLNVRTROOEV-RBBKRZOGSA-N 438.595 4.513 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCCN1CCC(C)CC1 1760097282 CJDMHTVUXXHDOQ-NHCUHLMSSA-N 441.595 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCC1(F)F 1760111698 RMPCHVAZQHYLKZ-FUHWJXTLSA-N 425.483 4.884 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1760317135 AYSNZMDJPFPIDX-QUCCMNQESA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cscn1 1760321532 HSEJZKWCFAOIIC-UWJYYQICSA-N 444.004 4.596 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC)(CC)C1 1760352408 QRLNTZJJNYQSEX-UHFFFAOYSA-N 439.604 4.756 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760376622 XIUIHUZYGBZYOT-YJBOKZPZSA-N 429.754 4.781 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1760423846 OIMDNZXUNLTJJD-HSZRJFAPSA-N 441.938 4.587 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760429261 WRVZKSQMMVTYFX-QFIPXVFZSA-N 438.616 4.584 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C 1760482836 SMPCGLUIOGTGQS-UHFFFAOYSA-N 441.620 4.973 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccccc1Cl 1760498516 UTVRTYIFYHCWKQ-XMMPIXPASA-N 442.991 4.965 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861360273 MMJRITQWPJORGN-CYBMUJFWSA-N 433.376 4.606 30 10 IJEE C=CCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1 1861422878 CSNVRGACCKIITL-HSZRJFAPSA-N 440.547 4.974 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1 1862442358 RMRMYERHJLXMMD-OAQYLSRUSA-N 426.944 4.650 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862491014 JPHHLZSJUNDPAP-HSZRJFAPSA-N 432.520 4.526 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCC2)cc1O 1862505244 MLNWUWIUZUOTKF-JOCHJYFZSA-N 439.483 4.759 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862584871 JKQXRYWPFDPDFI-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 1862625333 DHPINVMPAYXFBU-QHCPKHFHSA-N 447.487 4.590 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc(F)c2)cc1 1862661463 BTOYCBSWHAYAGC-JOCHJYFZSA-N 425.500 4.690 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862747699 VERNZAXMQKPWDU-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(F)cccc1Cl 1862757326 XCEIMORMRCMURZ-ZMZPIMSZSA-N 432.835 4.764 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3ccncc3)C2=O)c1 1863388447 OZGJZUAPQPOQRP-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 1866946632 QXQAVTHBIJLPOB-MGPUTAFESA-N 442.357 4.738 30 10 IJEE CCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccccc1C#N 1867010018 BHBPFKHAZALDHK-ZEQRLZLVSA-N 433.552 4.764 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CN2C[C@H](C)C[C@@H](C)C2)cc1=O 1870412944 OSSFGYJZJYTQSY-NHCUHLMSSA-N 428.621 4.641 30 10 IJEE C#CCOc1cn(CC=C)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1=O 1871004358 BAVLUPNWJSUVAP-UHFFFAOYSA-N 430.348 4.696 30 10 IJEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccco2)c1 1871254436 WDIYXHRTMLUQSO-UHFFFAOYSA-N 425.488 4.861 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871869742 YTTTWWVOZXVRFM-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871894157 RPEKBXWLBQFSLF-QFIPXVFZSA-N 446.638 4.549 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CC 1872163299 QTHQPXPFTNWSSX-QFIPXVFZSA-N 438.634 4.837 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(N(C)C)c1)S(=O)(=O)c1ccccc1 1872190574 QPICJCOHRWYWLI-HSZRJFAPSA-N 443.613 4.517 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872223886 BDFGNHACNDBITE-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872227148 HVAQFOCKJQDWHI-GFCCVEGCSA-N 447.771 4.851 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)CC1=O 1872996752 MFPHTMWPYGSRRJ-PXDATVDWSA-N 439.575 4.768 30 10 IJEE Cc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873295466 JSWZHODGVFDJQJ-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE CCCCCCCCCCNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 1873937146 ZDCPYVMYKLKUBI-VWLOTQADSA-N 427.589 4.631 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1cccc(OCCC)c1 1874227833 FKBVOHYMTRXLHE-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2/N=C/c2c[nH]c3ccccc23)cc1 1874259014 UFTHOHWEOSREAX-WGOQTCKBSA-N 449.580 4.648 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)cc1 1874306171 JKWJYOOSPQPDJI-JVWAILMASA-N 447.539 4.781 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 1874402467 BQIXEJUPZNFDKS-YZSQISJMSA-N 442.544 4.936 30 10 IJEE COc1cccc(/C=N/n2c(SC)nnc2[C@H]2CCCO2)c1OCc1cccc(C)c1 1874441878 LQJYJWBKZWZNQJ-LSCMLXDISA-N 438.553 4.630 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cc(C)ccc1O 1874473521 IJVCFFLYHTXJTB-MFKUBSTISA-N 432.549 4.809 30 10 IJEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1cc(C)ccc1O 1874505963 HPHZJAGVOAZHIT-LSFURLLWSA-N 437.352 4.920 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)c(Br)c1OCCCO 1874595262 BYHGKMOCNBRWOT-SOFGYWHQSA-N 425.706 4.768 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)NCc1ccccc1 1874614228 LNLZSNJEUVDCDD-OUKQBFOZSA-N 435.907 4.940 30 10 IJEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 1875114303 IZTOGBYPZZHFIQ-VOTSOKGWSA-N 439.689 4.559 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2OC)cc1OC 1875119751 LAIWATDBEISELV-FMIVXFBMSA-N 448.471 4.836 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCc3ccc(C)cc3)ncnc21 1875232232 CVGVQJXXGDOQIS-UHFFFAOYSA-N 425.536 4.810 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(SC(F)(F)F)cc2)c1 1891200416 RIBBGMRLBCONJK-UHFFFAOYSA-N 436.499 4.957 30 10 IJEE CCOC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(C)=O 2053610835 AJXWRJDDXBWXFI-UHFFFAOYSA-N 439.309 4.837 30 10 IJEE CCc1nn([C@@H](C)c2ccc(C(F)(F)F)cc2F)c(I)c1C#N 2079875625 WYLHFCIYPXCVEG-QMMMGPOBSA-N 437.178 4.689 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNc1ccc(C#N)c(Br)c1F 2105975652 GGOYCSFOENDPLK-NSHDSACASA-N 434.256 4.516 30 10 IJEE Cc1ccc(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)c(NC(=O)OC(C)(C)C)c1C 2124531709 FYNMHSUWDSYUPA-UHFFFAOYSA-N 444.381 4.815 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Nc1cc(Br)cnc1C#N 2167614621 URAQKJWSELUULK-SUMWQHHRSA-N 435.366 4.601 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(C1)CN(c1ccc(C#N)cc1Br)C3 2174814500 IRAANZYCHJCJOD-SFTDATJTSA-N 432.362 4.548 30 10 IJEE CN(Cc1ccc(C(=O)Nc2cc(Br)ccc2C#N)o1)C(=O)OC(C)(C)C 2181145447 GWOZMEVRMMRWRN-UHFFFAOYSA-N 434.290 4.533 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC2(CCC2)N(Cc2ccc(Br)cc2C#N)C1 2193438628 JREQLVQIMWESKS-SFHVURJKSA-N 434.378 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](O)C#Cc1ccc(Cl)cc1 2212477065 YVGHAGAGFHBUEA-FGZHOGPDSA-N 429.944 4.553 30 10 IJEE Cc1cnc(NCc2cccc(NC(=O)OC(C)(C)C)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2232308471 WLNYFHRQCRHPRN-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](N)C#Cc1ccccc1Br 2235721441 INBJIMHQOXXLSH-HBFSDRIKSA-N 435.406 4.657 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CCC3)cc2Cl)OC1(C)C 2247779113 NRUILTSJUFZAHM-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CC2)c1C 2247832413 OWYYIMBXVLMTMA-UHFFFAOYSA-N 425.403 4.717 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1cc(Br)cc(OC(F)(F)F)c1 2272998557 HZPPSAFOZVMARQ-UONOGXRCSA-N 440.256 4.851 30 10 IJEE C=CCc1cc(C=C2NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCC 2294046511 STXBVAHRNSUILU-UHFFFAOYSA-N 426.900 4.963 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@H](O)C#Cc2cccc(Br)c2)CC1 2296218453 DYJABVMKNFZKIA-COFLGROHSA-N 436.390 4.883 30 10 IJEE CSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)s1 2296244711 QDEZFSRFVPQGJB-OAHLLOKOSA-N 443.937 4.540 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H]2CCC[C@H]2N1C(=O)OC(C)(C)C 2296299560 WQWQBVREOFVUGR-NBYUQASBSA-N 433.390 4.567 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2296307942 AQABDNKTBDBBHV-IYWMVGAKSA-N 433.390 4.567 30 10 IJEE CCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O 2322638135 ZKRPEDALCUAOAG-UHFFFAOYSA-N 445.265 4.556 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)C(C)(C)C)cc(C)c2C1=O 2322648485 ATDMXFKJSCYKFU-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE CCCOC(=O)COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC 2323290883 NBDBKUMCACKPOP-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC(=O)c1cnc(C)cn1 2325701094 SANFAGKHDFKGDZ-UHFFFAOYSA-N 428.488 4.788 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc2c(c1)OCO2 2325725313 HCGOQICXCHXODA-UHFFFAOYSA-N 438.382 4.817 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2ccc(F)cc2F)c(Br)cc1OC 2325725739 ASZHHDXVSYONFM-UHFFFAOYSA-N 425.225 4.947 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2)cc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2325731456 UZXSLKNLFSITQC-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE Cc1ccccc1CCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccco1 2329468297 DGGGAUMOCWGNGG-UHFFFAOYSA-N 445.548 4.578 30 10 IJEE O=C(CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccccc1)Nc1ccccc1 2329801626 KRTQURDGQQCECV-UHFFFAOYSA-N 445.523 4.621 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2330873318 RMPAICSTMKFWJF-UHFFFAOYSA-N 439.464 4.912 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2[C@@H]2CCCO2)cc1 2330938734 QRRVKYNQCAAOKZ-FQEVSTJZSA-N 425.533 4.509 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 2331170410 KLODNVMEWGPSEP-UHFFFAOYSA-N 441.513 4.660 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)c1OC(=O)c1cnccn1 2331331881 FWSHXNWQALWEKC-UHFFFAOYSA-N 426.831 4.701 30 10 IJEE Cc1cc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c(Br)c2)ccc1F 2331339222 PAVTVBIZECTZLK-UHFFFAOYSA-N 441.256 4.802 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2331397436 CCMAHBFDSFQAHK-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc2c(c1)OCO2 2331440135 FRJWENBZOGRDOH-UHFFFAOYSA-N 441.233 4.886 30 10 IJEE C=CCSc1nnc(COC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331591821 OVASKPRNOXGOEV-UHFFFAOYSA-N 428.945 4.817 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339580478 CPHBZSGQXOPRFI-NFUCUESTSA-N 442.365 4.503 30 10 IJEE C[C@@H]1[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339585927 WOGJTJVPZYOBDR-IEBWSBKVSA-N 444.381 4.893 30 10 IJEE Cc1cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)ccc1NC(=O)OC(C)(C)C 2345673729 LFDKQDMVQDOTLC-UHFFFAOYSA-N 444.312 4.968 30 10 IJEE C#CCCCCCCC(=O)Nc1ccc(I)cc1Br 2352583583 URERHCAPIYSAMS-UHFFFAOYSA-N 434.115 4.966 30 10 IJEE CC1(C)C[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CN(Cc2ccccc2)C1 2364747242 ITDNXDODZKVJJR-QHCPKHFHSA-N 445.416 4.570 30 10 IJEE C=CCSC1=N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(OCC)cc1 4789671 ORPGRQSONMGYHU-NKFKGCMQSA-N 449.576 4.585 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cc(OC)ccc2OC)cc1 21660447 HYFKXXIEEHQBRC-GYCJOSAFSA-N 446.503 4.967 30 10 IJEE Cc1ccc(N/C(=N/C(=O)c2cccc(Cl)c2)NCCc2c(C)nn(C)c2C)c(C)c1 32973563 DFKKYZPAYUBFBA-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)cc1 33271587 ZTBFXNMKXIEXHN-SFHVURJKSA-N 446.532 4.838 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)c1 33452603 SSSRDBJVHNSYTD-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE CCCCNC(=O)CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1 59502595 OMRKNWYJCBTLHX-WSDLNYQXSA-N 428.539 4.964 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 62896794 KVMOFIMKSRCISR-UHFFFAOYSA-N 441.491 4.855 30 10 IJEE C=CCN(CCC(=O)Nc1ccc(Br)cc1F)Cc1cccc([N+](=O)[O-])c1 63288188 DBVQIQSXIWZPAB-UHFFFAOYSA-N 436.281 4.513 30 10 IJEE C=CCc1cc(CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc(OC)c1OC 65064123 TVDFPHQIQYUNQZ-UHFFFAOYSA-N 430.570 4.717 30 10 IJEE CCOc1ccc(NC2=C/C(=N\S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1 103746258 MOIRCDVKJLTICA-SLEBQGDGSA-N 446.528 4.764 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 169952976 OZSTZPCJLXOKEJ-HSZRJFAPSA-N 430.479 4.983 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccncc1)c1cc2ccccc2o1 170025004 JWPKNOWWAVYFCV-HSZRJFAPSA-N 442.446 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1)c1cc2ccccc2o1 170050012 GXCYPVUJSNSYAO-QHCPKHFHSA-N 439.423 4.944 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(N(CC)CC)cc1 170138886 ZOOZIOHLCVLIAE-MZNJEOGPSA-N 448.563 4.845 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)cc1C 170144468 UTHNWVUCPQZDFB-XMMPIXPASA-N 442.515 4.794 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)cc1 170171661 AGLNZGAMPKXJHL-JOCHJYFZSA-N 426.428 4.619 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCOC(C)C)cc1 170265254 ZWTLTMWLNSVIOA-DEOSSOPVSA-N 449.547 4.577 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cn(C)c2ccccc12 170269375 QKBSTTBMQDPSIJ-UPCLLVRISA-N 444.531 4.880 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2C)c1 170273406 SMUONJLLUFDTCI-OFNKIYASSA-N 435.520 4.541 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1ccccn1 170316714 QREPKIZSPHXKHQ-YCRPNKLZSA-N 446.528 4.553 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 170428592 LVRQVRMMARWIBS-GOSISDBHSA-N 426.469 4.569 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C(C)(C)O1 442404820 UIRNPBUKVYMKIP-HXUWFJFHSA-N 439.943 4.525 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(c2nnc3ccccn23)CC1 460587613 VIRODEYFPGQTCZ-UHFFFAOYSA-N 439.523 4.694 30 10 IJEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 460788562 CGMIVOUOSKPJCX-NTKDMRAZSA-N 448.567 4.815 30 10 IJEE CSc1nc(O)c(C(=O)NC[C@H](Cc2ccc(Cl)cc2Cl)C(C)C)cc1C#N 485437780 ZBVHBXVEFCLQHY-AWEZNQCLSA-N 438.380 4.932 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 520781202 LOEFWWKPWBJRPZ-ODOSVJCGSA-N 436.552 4.671 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526487110 VCVKDZAQQPNIHP-DEOSSOPVSA-N 425.488 4.690 30 10 IJEE Cc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(O)c(Br)c1 526815705 KPEHTWNDFOKIKX-UKWGHVSLSA-N 437.750 4.883 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2ccc(OC(C)(C)C)cc2)c1 526826614 YNGVMNDXGVJWON-OYKKKHCWSA-N 438.553 4.725 30 10 IJEE C[C@H](NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 542089920 HNAHOWNTGSUOPZ-HNNXBMFYSA-N 441.457 4.880 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 548409406 JXHZKQQAJRYIHV-UHFFFAOYSA-N 430.302 4.551 30 10 IJEE C=CCc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc(OC)c1OC 549175534 HJAKQKDOEIITHI-SFHVURJKSA-N 426.479 4.696 30 10 IJEE O=C(CCCc1ccc(Cl)cc1)NC1CCC(OS(=O)(=O)c2cccs2)CC1 586508842 NWRHZVRFDJSJGT-UHFFFAOYSA-N 442.002 4.557 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2)cc1 698893441 VAMIFEPKVXGLGG-QHCPKHFHSA-N 431.533 4.730 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCc3cccc(F)c3[C@H]2C)cc1OC 737966139 UVJLZLGFEJWEFO-QGZVFWFLSA-N 428.504 4.510 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 804924676 UCTGXGCESVIFNL-RDPSFJRHSA-N 443.547 4.664 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1cccc(C)c1 809893707 RXTWMDZPDPMOGS-JOCHJYFZSA-N 431.540 4.540 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1 1084344472 LKCQEESKYMWDIY-HUCFVGPOSA-N 438.582 4.759 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)c1ccc(Br)cc1 1084512673 ZRVVTUJVFYSGTD-PRZHPYSASA-N 442.342 4.653 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1124708016 FHEGMMOGYPWSBR-UHFFFAOYSA-N 436.581 4.768 30 10 IJEE C[C@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 1126752469 CYVVCCYOTTVLEZ-HFZDXXHNSA-N 439.559 4.920 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(F)c(F)c1 1128248526 DUQIXFPFCBZQRZ-WMLDXEAASA-N 430.442 4.591 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)s1 1128407815 NCDGCBVGNOSRHG-UHFFFAOYSA-N 427.935 4.784 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn(C)c1Cc1ccccc1 1129588369 HSDAVAQEGXFJOV-UHFFFAOYSA-N 426.314 4.591 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)C[C@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)cc1 1141978181 WBQHMHUONROWPU-MHZLTWQESA-N 445.563 4.853 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1147166409 PZWOCKAHDCXZQP-GHTZIAJQSA-N 442.581 4.669 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Cl)cccc1OC(F)F 1151872791 SZPHZCXQGHKYQO-OAHLLOKOSA-N 432.895 4.807 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)CCCN1C(=O)OC(C)(C)C 1154181912 BHBRBZDUTTVTJK-HOYKHHGWSA-N 430.593 4.585 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3)C(=O)OC 1165421143 DHLMUKQOCUCKTQ-WBMJQRKESA-N 444.553 4.531 30 10 IJEE C=C1CCC(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)CC1 1177326078 DELMEEKWKKDMAC-GOSISDBHSA-N 437.378 4.878 30 10 IJEE C=CCOc1ccc(CNc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1OC 1178661029 DXTJOEYXWYDFRZ-UHFFFAOYSA-N 438.549 4.697 30 10 IJEE C=CCOc1c(Br)cc(CNCCOc2ccc(Cl)c(F)c2)cc1OC 1178717489 UNMFCHJCQXGWDT-UHFFFAOYSA-N 444.728 4.984 30 10 IJEE N#Cc1ccc(CN(Cc2ccc(Cl)cc2)c2ccc3nc(O)[nH]c3c2)c([N+](=O)[O-])c1 1191763112 GEZBCTVVWZFTLE-UHFFFAOYSA-N 433.855 4.909 30 10 IJEE N#CCCN1CCN(C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)CC1 1202818816 CXMSPWBWMLXNQD-UHFFFAOYSA-N 435.915 4.744 30 10 IJEE CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 1214911623 CKEQUQCLCIOUBM-HXUWFJFHSA-N 442.560 4.600 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(C)cc(Br)c2C1)c1ccc(Cl)cc1F 1230511540 WADFTOCTEATVCX-LJQANCHMSA-N 435.724 4.992 30 10 IJEE Cc1c(C#N)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1 1270182753 AEOJHWBNSPLISQ-OAQYLSRUSA-N 439.943 4.954 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CSCCS1 1286362265 DBHDLOXBTCRFRN-CYBMUJFWSA-N 435.043 4.731 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cscc1C(F)(F)F 1286363196 KTEARQILHOOUEH-ZDUSSCGKSA-N 438.450 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCc1cc2ccccc2s1 1286515210 VGLHTNCRJCRKRM-RUZDIDTESA-N 449.624 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)CCC 1286515329 HMJLIAWTADNAEI-JWQCQUIFSA-N 449.624 4.920 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)CN1CCCCC1 1286527266 GOPMKCPGDOPFOY-KDYSTLNUSA-N 449.643 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](CC)C1 1286549073 DCCPWSILJWSQIY-LEDOBFOHSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)C(C)(C)C1 1286554950 ZUUVQWHBNKIVTL-HQRMLTQVSA-N 429.996 4.847 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1286647701 KTCZZRYBAWWYOZ-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1286650094 XGCPNYZCEGWDNV-XXBNENTESA-N 442.579 4.994 30 10 IJEE C=Cc1ccc(CCn2c(Cc3csc(C)n3)nnc2N2CCC(C)(C#N)CC2)cc1 1286656946 YIMKEKNFYUCGBS-UHFFFAOYSA-N 432.597 4.650 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1286769480 YDPJECDYKXVLSY-QZTJIDSGSA-N 438.597 4.502 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(CC)CCOCC2)C1 1286801803 IHUTULBLCHXMGA-GOSISDBHSA-N 448.970 4.726 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(Br)ccc3C(C)(C)C)cc2C1=O 1288236729 KEPGRGYOVUWZIZ-UHFFFAOYSA-N 441.325 4.781 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCC1 1300362141 LKVCULDHZZPKMP-NRFANRHFSA-N 443.636 4.823 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C2CC2)C1 1300419301 KHHFYRYGVQGVBD-FQEVSTJZSA-N 426.992 4.901 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC1=CCCCC1 1300605866 BBHUZNTXIXBVNQ-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCCc1cc(OC)ccc1OC 1300807112 GHWIWIYKDZFZNV-AREMUKBSSA-N 436.600 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC(C)(C)C1 1300894875 IYSJCKRNXFKSJL-YSTOQKLRSA-N 448.677 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1nc(C)cs1 1300904604 BQCCFLCWHPNOJB-UHFFFAOYSA-N 438.420 4.985 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1301190076 MFWKQAGYFRDCII-OAQYLSRUSA-N 441.576 4.707 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1301260080 VVTHWWGKGOAPBS-ZJOUEHCJSA-N 428.552 4.604 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)c1cccs1 1301383934 KSZGZBHFWQZUFB-DEOSSOPVSA-N 431.565 4.641 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1Cc1cccc(C(F)(F)F)n1 1301399488 OTAPWENFEXJRPU-UHFFFAOYSA-N 427.474 4.853 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1301621303 UUPJMSWTPZSLAE-WOJBJXKFSA-N 442.629 4.801 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccccc1 1303262678 NZQCOGJKLXKLCX-FGZHOGPDSA-N 442.600 4.659 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CCC2CCOCC2)c1C 1304012166 BOCLSCBWDCXCRG-UYAOXDASSA-N 425.577 4.590 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1OC 1308253822 AIDMOXOIBAOSFW-KRWDZBQOSA-N 447.982 4.655 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 1308758615 SUNJGBMWWYVSIA-LJQANCHMSA-N 444.572 4.501 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NCCC(=O)OC3CCCCC3)c2)cc1 1310138377 CATZHRDYUPJVES-UHFFFAOYSA-N 435.524 4.719 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(Br)cc1 1310285646 KMFCHXMQVNXOFS-MRXNPFEDSA-N 445.317 4.527 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(Br)c1C)c1ccc(Br)cc1 1312927295 UBSCVTILJAWWRW-QGZVFWFLSA-N 436.147 4.694 30 10 IJEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1)C(C)C 1315198568 CLHSPXTVOPAJKM-SFHVURJKSA-N 429.977 4.839 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1315684432 BLXFJWRLYUKUOU-WOCWXWTJSA-N 431.968 4.625 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)c1ccccc1 1354212521 OXVILIOTGBQPDW-DEOSSOPVSA-N 433.596 4.526 30 10 IJEE COc1cc(C#N)ccc1C(=O)O[C@@H](c1cc(Br)ccc1F)C(F)(F)F 1354890290 DJZKUJJGXJBHKN-HNNXBMFYSA-N 432.167 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(NC(=O)c3ccc(C)s3)sc2c1 1355445536 FUSZIBOBKKKBON-KSSFIOAISA-N 427.551 4.838 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC1CCCC1 1358879476 RRJPCEWBFFTWRN-KRWDZBQOSA-N 445.405 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1Cc1cc(C(CC)CC)no1 1358895301 GWNPPOMPMZFCEE-SFHVURJKSA-N 430.556 4.679 30 10 IJEE C#CCCCCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)nnc1C(C)(C)C 1358917082 GNYXJWNFLROJKL-RTBURBONSA-N 431.625 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CC[C@@](C)(CC)O1 1359063914 HCJJFALTRLGUFB-QKFIJCJASA-N 440.563 4.897 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H](C)N2CCCCC2)CC1 1359166371 QAIYHXAAMYIAOU-LJQANCHMSA-N 429.559 4.568 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1359172717 GBGYJGGUQHNTGM-IBGZPJMESA-N 443.636 4.768 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)cc1C 1359196804 UMWBGYLWFXIVMB-UHFFFAOYSA-N 435.572 4.854 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC2CCOCC2)C1 1359314467 BIOXZKHVLNAUAR-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1 1442760499 XDALPKNRSGPWBT-HXUWFJFHSA-N 426.358 4.539 30 10 IJEE C#CCN(CC#CC)C(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1444804928 NCARAOYQYBJGQW-SANMLTNESA-N 442.559 4.521 30 10 IJEE C=CC1(CC(=O)Nc2cc(Br)c(F)cc2C)CN(C(=O)OC(C)(C)C)C1 1448915852 YUQMAJDGQNWESV-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)N3CCC(C#N)(C(=O)OC)CC3)c2C1 1449421248 FSYZUCHJZKELLZ-SFHVURJKSA-N 447.579 4.695 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C 1458729295 KPOWMQZNWLXRCM-MTJSOVHGSA-N 428.326 4.911 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C 1459813688 LBNHOLMDRFYTLL-UHFFFAOYSA-N 438.358 4.526 30 10 IJEE C=C(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 1463256061 DSCNRJHGNFTSFF-UHFFFAOYSA-N 426.582 4.684 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CCC1 1464001632 LBBSQSLGZGJHJO-HSZRJFAPSA-N 438.955 4.953 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)c1ccc(Cl)cc1 1466282520 KXMKTWCYAIESHN-GOSISDBHSA-N 443.732 4.843 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1470787647 YIIQLVCGZJCFRF-XMSQKQJNSA-N 427.589 4.914 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 1479061360 SUVBZWWBKUZALG-KRWDZBQOSA-N 436.886 4.980 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCSC1 1503413343 AROVBXSQYJJZKE-IEBWSBKVSA-N 431.556 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC(C)(C)C1 1507525124 YZLLOZDELBMBPR-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1C 1507663657 HKPHHRYDAGVBKF-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)Cc1cccs1 1507670709 UAZHWXBDQGFLCH-IBGZPJMESA-N 437.012 4.926 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N[C@@H](C)CC 1507761629 IHNOZYGYEAZRNR-AFMDSPMNSA-N 435.616 4.540 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCOCc2ccc(OC)cc2)CC1 1507902060 BDXWDTRXDIQDPS-HSZRJFAPSA-N 440.588 4.538 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Oc2ncccc2F)CC1 1507943903 IZXFKZQXFXNLGJ-UHFFFAOYSA-N 442.926 4.542 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ncc(Cl)n1C 1507944439 RDWJMDWIQAOCHG-UHFFFAOYSA-N 435.359 4.597 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1508006717 KSJXCNBKDNLVKI-GHTZIAJQSA-N 425.602 4.979 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1508127288 UQCKQDPBDRUUMC-PKOBYXMFSA-N 436.934 4.739 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)c1nccs1 1510498712 BNWXNCITDCTLET-INIZCTEOSA-N 434.594 4.931 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3coc4c3C(=O)CCC4)s2)c(C(F)(F)F)c1 1515134673 BAUKMVMXQOKDMB-UHFFFAOYSA-N 445.422 4.989 30 10 IJEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(Br)C1 1519653681 HSRJVIUDNLZTSG-UHFFFAOYSA-N 446.418 4.837 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(C)ncc2C)nnc1-c1ccc(Cl)cc1Cl 1526640036 FBIBCDIPHFXJGH-UHFFFAOYSA-N 449.367 4.576 30 10 IJEE C#Cc1ccc(CNC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 1526683332 BBRWUZVTJCYDOL-UHFFFAOYSA-N 425.528 4.612 30 10 IJEE Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2Cl)n1 1526840745 BHGRJUBNIOXKTO-HJPURHCSSA-N 439.947 4.766 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)CCCN1C(=O)OC(C)(C)C 1528830568 MKBQXOVUJSSTIV-CRICUBBOSA-N 443.563 4.710 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(-c3ccc(OC)cc3)cc2)CCCN1C(=O)OC(C)(C)C 1531176526 QUDIRLBUNSDTQT-HHHXNRCGSA-N 448.563 4.771 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cn2c(-c3ccccc3)c(C)sc2=O)C(F)(F)F)cc1 1532570215 NMVSRFHTEXFLLJ-FQEVSTJZSA-N 431.435 4.713 30 10 IJEE CCc1ccc(-c2nc(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)cs2)cc1 1536878469 AWLRVDVIXKTRPY-UHFFFAOYSA-N 427.533 4.575 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1oc(CCC)nc1C 1538974284 SDNWMPVKODTQJI-YLJYHZDGSA-N 435.572 4.790 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1OCCC1(C)C 1538976743 PLIBTCWXTZAIDF-WZONZLPQSA-N 431.584 4.626 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCCC1(F)F 1539155380 SRAYKRSVVOHSRN-CYBMUJFWSA-N 441.295 4.742 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1ccc(Oc2cccc(F)c2)nc1 1539296577 RHBJAHVCNLYLFU-LJQANCHMSA-N 431.515 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC1CCOCC1 1539616134 OTVKGXOXIDCIGP-HJOGWXRNSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)CC 1539617072 UJWLTURCYKZARR-ZNLUXHQJSA-N 439.604 4.611 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539735671 RKYNQLYRWBZFLL-VWLOTQADSA-N 426.605 4.742 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1539874249 KZKXIVJVPOQEEG-GREBRCKQSA-N 440.563 4.941 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1539938904 CQSRIPQQEHLRGH-FPOVZHCZSA-N 435.597 4.595 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(C)C)C1 1539953524 KITWFGONBDEHTD-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1539954979 LHDBOGOQMDKYNC-QHCPKHFHSA-N 429.572 4.828 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C2CC2)C1 1540013100 KPAWQIVPIFGVEH-KRWDZBQOSA-N 431.378 4.822 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1C1CCCCC1 1540077238 IMRPEGPGSZRURB-JOCHJYFZSA-N 428.024 4.942 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1C 1540147386 KYOWOMASPLYNTR-UNMCSNQZSA-N 438.597 4.613 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCN1CCC(C)CC1 1540154258 SWXLBDIGBAIJPY-UHFFFAOYSA-N 444.421 4.618 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C2CCCCC2)CC[C@H]1C 1544331089 BVGKGVDBVVJVBL-NHCUHLMSSA-N 434.632 4.954 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O)c1ccc(F)cc1 1558986873 AHAUIERBAFFQSN-HNNXBMFYSA-N 438.673 4.782 30 10 IJEE C#CCN(C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1)[C@@H]1CCCc2ccccc21 1564025032 GGGWGBRELWXGPR-JTHBVZDNSA-N 431.536 4.599 30 10 IJEE C=C[C@H](COC)NC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 1564616962 ACQTUFWRQBGYDT-OAQYLSRUSA-N 438.959 4.594 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1593796286 NXTMFURAZIXBGX-QHCPKHFHSA-N 448.615 4.637 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnn(C)c1C 1594454579 GNHHQPANISTIJL-SFHVURJKSA-N 440.567 4.838 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1594573926 ZVNCHUABNQJPNI-QHCPKHFHSA-N 445.615 4.601 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1594644528 CJHZTABWMCZOQW-UPVQGACJSA-N 436.648 4.711 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1594713467 BUDHSLXGXSRNRE-HXUWFJFHSA-N 443.473 4.903 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(OCCC)cc1 1594885324 FAFILEBQRBHULO-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1OC 1594907780 YGOKEKGMZKXAQM-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCS1)C1CC1 1595038349 UXXNHZBFXAKKTO-HNNXBMFYSA-N 437.382 4.897 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1ncc(C)s1 1595261552 RKMMTKGFJYGOLM-IEBWSBKVSA-N 441.601 4.569 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)c1nc(C)cs1 1595276325 ZEXOODGCHCUDNJ-MRXNPFEDSA-N 437.569 4.899 30 10 IJEE C=CCN1/C(=N/c2c(C)n(C)n(-c3ccccc3)c2=O)S[C@@H](C)[C@@H]1c1ccc(OC)cc1 1614415123 ULEIPDQPNQABFA-SPKBHONNSA-N 448.592 4.845 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 1623914820 NRTSYWDTNDYLAR-UHFFFAOYSA-N 439.555 4.877 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)c(Cl)cc1SC 1626564413 WUIJHEPZFOMIIA-UHFFFAOYSA-N 436.883 4.890 30 10 IJEE C=CCc1cc(CNC(=O)c2ccccc2NC(=O)OC(C)(C)C)cc(OC)c1OC 1627087950 JDSIEGIQZKSVEK-UHFFFAOYSA-N 426.513 4.709 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 1627379286 PRZHZWLFAMPIRB-KBXCAEBGSA-N 445.560 4.742 30 10 IJEE C=CC[C@H](C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C 1629215851 IVOQIBXPPJRSSI-CVDCTZTESA-N 438.568 4.782 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2[nH]cc(I)c2c1)c1ccc(Cl)cc1 1629256509 LSMFZCRHIDJSRN-MRXNPFEDSA-N 434.664 4.530 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](c3cccc(Cl)c3)c3ccccn3)n[nH]2)c1C 1631666787 FVKATRGKICCXQW-HSZRJFAPSA-N 446.942 4.644 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 1632118614 QUARPMIMKVKQNU-UHFFFAOYSA-N 444.304 4.815 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F 1637372613 CKQDLVWXMLZWKY-ROUUACIJSA-N 428.495 4.916 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)C(C)(C)C 1638095797 TYKZYMSYSVFSCB-SFHVURJKSA-N 439.364 4.572 30 10 IJEE C#Cc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1 1642797595 PTRRYYWGFTZSBH-UHFFFAOYSA-N 435.505 4.606 30 10 IJEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCCN(c2ccccc2C#N)CC1 1644532535 ADYORCOZTTVUKP-UHFFFAOYSA-N 433.987 4.786 30 10 IJEE C=CCC[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(C(F)(F)F)cc1 1653910958 LHBMSGQRJCGGTB-MOPGFXCFSA-N 428.495 4.938 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c1 1654070176 GWWQOMYJEYJFDY-QHCPKHFHSA-N 438.936 4.605 30 10 IJEE N#Cc1cc(S(=O)(=O)NCc2ccc(OC3CCCCC3)cc2)ccc1C(F)(F)F 1659952075 GRZMVSKYUBRCHT-UHFFFAOYSA-N 438.471 4.767 30 10 IJEE N#CCC1(CS(=O)(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1 1661092451 DWFBILKHVLQGHD-LJQANCHMSA-N 427.957 4.566 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 1664951607 NXNGBPIPCBAZDS-QUCCMNQESA-N 433.618 4.896 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ccccc2Br)c1 1669495671 XVFSTIUWEQZLSF-QGZVFWFLSA-N 425.330 4.944 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1c(C)cc(C)nc1OC 1670845518 PWEFIEVBAZXROL-UHFFFAOYSA-N 434.334 4.698 30 10 IJEE CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1672201572 BZCFOMZUPISCID-LEWJYISDSA-N 445.677 4.718 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@@H]2CC3(CCC3)Oc3ccc(Br)cc32)cc1 1672887890 OIKXBKHXQQAWNC-LJQANCHMSA-N 425.326 4.676 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl)C(C)C 1674145960 WDLTUPOLMHTHTQ-ROUUACIJSA-N 426.388 4.815 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](c2ccc(OC)cc2)c2ccco2)cc(OC)c1OC 1677641785 SXYIPFAFPZNDHI-HSZRJFAPSA-N 436.508 4.623 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)c1ccccc1 1679252367 SESXEQBTOQTVTP-AZUAARDMSA-N 426.948 4.803 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 1683680523 DQZAGSMINKKNHN-HXUWFJFHSA-N 443.316 4.567 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1 1683734039 OOYOISCBHFHNRL-BWKNWUBXSA-N 443.588 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCS1 1690033267 UJSFGUUGTANFQU-NQIIRXRSSA-N 443.016 4.820 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nc(C(C)C)cs1 1690060650 DLZMJYBWVQHMMH-UHFFFAOYSA-N 430.581 4.889 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCC1CC(OCC)C1 1690062650 XVBVZVTTZKIZER-UHFFFAOYSA-N 449.368 4.511 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1CC1CCC(F)(F)CC1 1690093782 JPJIBBCHWZUCDW-OAQYLSRUSA-N 430.543 4.732 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1690174427 CXNNCQFZCGDTSS-GMAHTHKFSA-N 440.657 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1CCCN(CCC)CCC 1690202784 DXQXPDGNJURLEE-AREMUKBSSA-N 432.616 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@H]1C 1690424720 XXZQNKDGGPQPCL-CQSZACIVSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCCc1nnc(C)s1 1690554174 WQAZJGJJMXTZPE-UHFFFAOYSA-N 440.617 4.570 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccncc1Cl 1690613511 KHIHSBTWJYFVTJ-UHFFFAOYSA-N 439.991 4.978 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1690636216 MSCHYLLKEVTMJQ-RDJZCZTQSA-N 431.378 4.919 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690735933 NCJFIPUQHUBQFQ-FGZHOGPDSA-N 440.657 4.871 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1 1692958248 FLNRWDQGNKZYQI-QFIPXVFZSA-N 440.473 4.846 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)C1 1693660540 AAUOSZXIMZLLGD-WXVAWEFUSA-N 448.659 4.704 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOCC)CC1 1705482395 XZIBRFXNXRVAEF-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(C#N)C1 1705654428 IARRDBDGLGNNNE-HSZRJFAPSA-N 439.654 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1Cc1ccnc(C(F)(F)F)c1 1705673931 RZQAJZXPDMUQIA-JOCHJYFZSA-N 425.458 4.708 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC(c2ccccc2CO)CC1 1705681344 SSOPGJQMNJTUHL-HNNXBMFYSA-N 433.394 4.577 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](C(=O)OC)C1 1705721255 RRHYAQPBSGXLEK-ROUUACIJSA-N 446.979 4.654 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1705756264 WJWBPZRFRCZMFY-QAPCUYQASA-N 447.744 4.920 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCc2ccccc2OC(F)F)CC1 1705779637 QIFPPYLYRNGECW-UHFFFAOYSA-N 427.499 4.530 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nc(C)c(C)s2)CC1 1705785183 ZBCJXGFDQWJPHR-UHFFFAOYSA-N 437.613 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(O)cc1 1705794265 AVSPRUOLGZRBBN-QFIPXVFZSA-N 434.588 4.789 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705800611 CQZVLJXCPDSSFA-FQEVSTJZSA-N 435.572 4.790 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OC(C)(C)C)CC1 1705802984 BEICONIXOJEXMG-UHFFFAOYSA-N 426.561 4.814 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)C)CC1 1705809419 QLVWWKLBNHDYJP-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1705851140 VXFTXAVNFBMXBT-OAQYLSRUSA-N 444.023 4.882 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCc1ccncc1 1705864570 GDIWCQFZLRVFCQ-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@]1(C)CCCS1 1705868282 HWUIAZYYXSIISY-QFIPXVFZSA-N 425.627 4.804 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2CC2)C1 1705916353 OYNHESWVQRMFLI-XLIONFOSSA-N 430.980 4.880 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCSC2(C)C)C1 1705927948 JGKGYZBZXGKWLL-VNTMZGSJSA-N 448.677 4.510 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC=C)c1ccccc1 1722276391 DRUIOXIENVUAHP-AEFFLSMTSA-N 438.373 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC(C)CC1 1722276755 GCBJGCQWUUNLAL-NRFANRHFSA-N 444.627 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@@H]1C 1722278511 QPUINUUPJFVZAT-QNWVGRARSA-N 437.632 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCN(C)C1CCCCC1 1722472558 NRSPKQGVYOAOTL-HHHXNRCGSA-N 433.644 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C 1722501540 GBJCUPICULPPFC-XWQURZDVSA-N 428.552 4.602 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(C)=C(C)C1 1722501845 QLACPELPPWQEMB-RDGATRHJSA-N 436.600 4.947 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Cl)s1 1722599394 DUMDFPCDPTUSRV-UHFFFAOYSA-N 433.965 4.713 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C2CC2)C1 1722624725 FSBYFCHYYFGZLY-INIZCTEOSA-N 449.368 4.676 30 10 IJEE Cc1cccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)n1 1724521106 DEPHSAOSDSGYMQ-IBGZPJMESA-N 440.473 4.542 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1726962510 BUISIGOJAMKKJI-YZZKKUAISA-N 432.613 4.567 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)C2(CCC2)C1 1740567157 HLXYPQGKYSIMOG-INIZCTEOSA-N 430.394 4.856 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cn(CCCC)nc1C 1740615111 RJTSIODDGKQCLW-UHFFFAOYSA-N 443.020 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(Cc1ccco1)C(C)C 1740757369 VLBLYJIGGVZUIE-REWPJTCUSA-N 436.556 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)c3cccs3)CC2)nnc1C(C)(C)C 1740767784 RCNXOVLVUANOHA-NQIIRXRSSA-N 442.629 4.718 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC2(CCCC2)C1 1740780064 SVRNNLBJUDOLRP-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCOC[C@H]2C)CC1 1740820211 VOZPYONDXZPCKY-CABCVRRESA-N 437.407 4.598 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C(CC)CC)N(C)C)CC1 1740827575 BOJSYCYGBAXPBB-XMMPIXPASA-N 439.648 4.997 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCN(C(C)C)CC1 1740870039 HUSNNKLHEXCEGI-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)=C(C)C1 1740887227 AFARMSGTDWJVOH-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(C#N)CC1)C(C)C 1740927861 YCATWFJUAIVXQA-QHCPKHFHSA-N 436.579 4.523 30 10 IJEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1740947586 QCGSOILSDOPKQF-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1740996860 JVAGXOAZNDLVLB-HKUYNNGSSA-N 427.574 4.789 30 10 IJEE C[C@H]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)C1 1742997807 GOHXKNFVZQLHDI-LEWJYISDSA-N 434.632 4.891 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(OC2CCC(C)CC2)CC1 1748743575 GYZGCBWAXNDNDI-UHFFFAOYSA-N 436.600 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@H]1C(=C)C 1749060560 UTEUZBSHBUBJAL-CODAWKSHSA-N 440.975 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCN(CC)C1 1749170820 KDDKWIIYRPUFRB-GOSISDBHSA-N 434.053 4.968 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1)c1ccccc1 1749246157 HIWLCKWDSGTTLQ-HYBUGGRVSA-N 431.584 4.619 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1749296110 IJNXBZLICNGOCH-MRXNPFEDSA-N 431.968 4.668 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](CC)c2ccccc2)CC1 1749347438 BHJAVBHLXYKQOV-FQEVSTJZSA-N 449.624 4.866 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1749356865 ASJRYPJWZHDRLM-ICSRJNTNSA-N 441.620 4.970 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1csc([C@@H](C)OC)n1 1749465521 FTMMYFHDAIOQID-QZTJIDSGSA-N 441.601 4.869 30 10 IJEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1749493881 MYTPJUMGBJMZOT-TXPKVOOTSA-N 436.478 4.782 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1749499390 GIGBIWHLCXAQJX-OFNKIYASSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@H](C)C1 1749528562 VHAGIOOBVBUSFZ-FQEVSTJZSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1C[C@@]1(O)CCCC1(C)C 1749528710 YVHDZZAPFYLECG-CLOONOSVSA-N 426.605 4.934 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(C)ccc21)C(C)C 1749557449 JJVIXOMNMOPTQE-DEOSSOPVSA-N 430.600 4.974 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1=CCCCC1 1760102296 HUSIYUFAPKRQGY-OAHLLOKOSA-N 429.362 4.675 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1CCc1ccc(Cl)s1 1760239369 GQJFPDYIXPFPGX-UHFFFAOYSA-N 428.989 4.837 30 10 IJEE C#CCSCCn1c(N(C)Cc2ccc(F)c(C(F)(F)F)c2)nnc1C(C)(C)C 1760286886 YHWDOYAIPBXAPA-UHFFFAOYSA-N 428.499 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1CC(C)(C)OC 1760291958 JXRXXSIQLMSHMF-RUZDIDTESA-N 440.588 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cnn(CC)c1 1760292065 NZZGYKGZKXIITH-AREMUKBSSA-N 446.599 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@H](SC)C1 1760318235 MVZZLCHLGBTVLI-BVSLBCMMSA-N 442.629 4.657 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1760377912 RYSMSKUFHUFHJI-UHFFFAOYSA-N 429.977 4.564 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1760385228 NBRXCSUHOHZRIJ-UHFFFAOYSA-N 430.455 4.661 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(COC(C)(C)C)on2)CC1 1760398609 FCXSKUCMSPUUAY-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760409708 DRLAXVPOTVAREP-UHFFFAOYSA-N 439.579 4.668 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cn2ccsc2n1 1760467004 QSFPHUVGJBYAQO-UHFFFAOYSA-N 436.585 4.669 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F 1760478380 FYRYJEYXXAKJPU-UXHICEINSA-N 446.542 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCC[C@H]1C 1760485669 MNPOMFBGYNYJTJ-HOYKHHGWSA-N 438.597 4.759 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1c(C)noc1C 1760498411 QQDIZFHBVYQZEW-XMSQKQJNSA-N 435.572 4.773 30 10 IJEE CCC[C@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@](F)(C#N)C1)OC 1763886443 FWWYEJYIFUKERK-DVECYGJZSA-N 443.567 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1CC(F)(F)C1 1772523377 AGRXEWRNVPVTMU-HSZRJFAPSA-N 444.526 4.778 30 10 IJEE C=CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=Nc1ccncc1Cl 1772733815 BCSUBYDNZGKQQM-DSBLIHRRSA-N 445.928 4.551 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2ccc3nc(-c4ccc(Cl)cc4)oc3c2)c1C#N 1859741795 AGRBZBWYZQAVKZ-UHFFFAOYSA-N 435.823 4.960 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(F)cc2F)cc1C 1862403574 ZQEZUXWPMXIKFJ-NRFANRHFSA-N 429.463 4.906 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862477135 IMALXDJVKTYQIC-QHCPKHFHSA-N 429.520 4.663 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C)cc1 1862544138 XHNWANXQBUTGRM-RUZDIDTESA-N 446.591 4.794 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862682099 KRUSKXIGLXYQAV-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccccc2)c1 1862698128 AMANYMFTGFWFEK-DEOSSOPVSA-N 427.500 4.906 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862703641 KLIUGCGMUMJDGY-XMMPIXPASA-N 443.499 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862747918 RIWABCMXWBZJCI-NRFANRHFSA-N 432.407 4.512 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1863210813 OWCMPRMYCCTCBN-JTSKRJEESA-N 429.520 4.728 30 10 IJEE C=CCNC1=C(c2ccc(F)cc2F)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1863658986 DIGLNCBNNRKEJO-UHFFFAOYSA-N 430.454 4.610 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccc(F)cc1 1864782702 IQDUWVBCVXTNRQ-FQEVSTJZSA-N 428.552 4.522 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)COc2c(C)ccc(C)c2C)c(C(=O)OCC)c1C 1865773216 OSNYBEWVENWHJT-UHFFFAOYSA-N 445.537 4.519 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC3(CC2)OCCO3)nc(-c2ccc(C(C)(C)C)cc2)n1 1867997589 DOZZIAWLBYRUBD-UHFFFAOYSA-N 448.611 4.963 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1871780513 PASCGJBQOYKKRT-CQSZACIVSA-N 427.353 4.587 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872499351 MHKZOLVSWZTZQI-LJQANCHMSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872563825 YWKGHVYAQIUWIS-HXUWFJFHSA-N 444.597 4.523 30 10 IJEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)c1 1872773199 YCGGBACLGFCWSY-FQEVSTJZSA-N 443.528 4.680 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(OCC)cc1 1874289858 AKYZMKCRUHYWLQ-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccn2C)c1 1874425355 DMVVMNMEQQBWAP-MFKUBSTISA-N 444.564 4.513 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2)cc1 1874487372 LICUTJXOBUOOMS-AFUMVMLFSA-N 439.560 4.791 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1OC 1874569480 YXVGWBMQLQCFAL-PCLIKHOPSA-N 448.548 4.631 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1C 1874614826 RPCQFIJSIZDXGD-BUHFOSPRSA-N 431.488 4.926 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875116509 FMKKKUUCRGNKHL-KGVSQERTSA-N 439.370 4.754 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)COCCOC 1875121717 DUJSYSWUSTXHAR-MDZDMXLPSA-N 444.911 4.542 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccccn2)c(OC)c1 1875143728 NQJCAICQDVRKCJ-MDZDMXLPSA-N 433.460 4.531 30 10 IJEE C=CCn1c(C(=O)N(CC)CCCC)cc2c(NCCc3ccc(OC)cc3)ncnc21 1875228427 NYTUIUZCCNWVAM-UHFFFAOYSA-N 435.572 4.543 30 10 IJEE CC(C)(C)OC(=O)N(CCNc1nc(C(F)(F)F)ccc1C#N)OCc1ccccc1 1962817655 WROTYKDMTZPIJB-UHFFFAOYSA-N 436.434 4.753 30 10 IJEE N#Cc1cc(F)c(N2CCCN(Cc3ccccc3)CC(F)(F)C2)cc1Br 1965676569 LMOBTZMNUPTXHB-UHFFFAOYSA-N 438.291 4.807 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(Cl)cc(Br)c2)C1 2062975939 XXAIVMMHFIRHLH-UHFFFAOYSA-N 429.742 4.902 30 10 IJEE CC(=O)Oc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1 2080095754 RLROIBXPBQPGFE-KRWDZBQOSA-N 434.334 4.676 30 10 IJEE Nc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCSC2 2081389761 IZWQYLVZYHBFEE-UHFFFAOYSA-N 436.356 4.945 30 10 IJEE C[C@@H](NCc1occc1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2101329622 TZBPYTUKUKNULM-MRXNPFEDSA-N 442.365 4.777 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)c(Br)c2)[C@@H](C(F)(F)F)C1 2163252809 CYLHBULGWSKLPZ-JSGCOSHPSA-N 448.283 4.778 30 10 IJEE CN(Cc1ccc(CNc2cc(Br)cnc2C#N)cc1)C(=O)OC(C)(C)C 2167615197 WWIXAAJPVBURPZ-UHFFFAOYSA-N 431.334 4.695 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)cc1Br 2181106856 AKLYIMDHDJZASN-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)C1 2181148283 XHEOGFQDZFCHCJ-CJNGLKHVSA-N 436.350 4.733 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)c(F)c2F)NCC)C1 2197750465 YYWSWPALSAPSSK-OAHLLOKOSA-N 445.348 4.861 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1ccc(Cl)cc1 2212453848 YJPLQLHURYZCHO-HTAPYJJXSA-N 427.928 4.759 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2235727494 QOGHKOOPBDFWAQ-PKOBYXMFSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2235729103 NFSFYBBSFLOJKR-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2235735061 YJXZSMFRMOSNLJ-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@H](N)C#Cc2ccccc2Br)C1 2235747550 QTMBVNVSWCJFLX-YTQUADARSA-N 435.406 4.992 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1ccccc1B1OC(C)(C)C(C)(C)O1 2260375286 NZSKBRUQOXWBDA-PXNSSMCTSA-N 447.450 4.865 30 10 IJEE C[C@H](Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)c1cscc1Br 2269009867 MEHQTXBSTZXNAO-JTQLQIEISA-N 427.148 4.517 30 10 IJEE CC1(C)OB(c2cc(Sc3ccccc3Br)ccc2[N+](=O)[O-])OC1(C)C 2282933700 IWXRCGAKMCPIPQ-UHFFFAOYSA-N 436.136 4.808 30 10 IJEE N#Cc1cccc(Br)c1N[C@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2285188763 WMRKPZWCFISSKK-DENIHFKCSA-N 426.358 4.556 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)cc1)c1ccc(Br)c(F)c1 2287188075 YBZIYVOVLWRPQR-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)SC1=Nc1ccccc1 2293816417 HZRGEBLDRWVLAF-UHFFFAOYSA-N 443.528 4.938 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 2296115715 HJKONSBHYDJXIJ-IBGZPJMESA-N 434.319 4.760 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296229406 JFFARMMEPSDIHM-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](O)C#Cc2ccc(Br)cc2)C12CCCC2 2296290802 HRQFNYHOMXXTMH-RBUKOAKNSA-N 434.374 4.731 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(OC(=O)c4ccco4)c3C)C1=O)cn2C 2296589908 XYHYAWQAEOHJMG-UHFFFAOYSA-N 429.428 4.924 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(F)cc3)S2(=O)=O)cc1 2296957092 ZDNLRNUHQPEHSK-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE CCCN[C@H](C#CCSC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2299620971 FPEMRINRPLPJDM-RDGATRHJSA-N 446.657 4.565 30 10 IJEE COc1ccccc1C=C1SC(=NN=Cc2ccc(F)cc2)N(Cc2ccco2)C1=O 2314818877 NRUHGZAGUKUFTK-UHFFFAOYSA-N 435.480 4.934 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317353227 GDAJDHVVAUDFBN-JUWLWVHDSA-N 430.354 4.551 30 10 IJEE C=CCC1(NC[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2321243291 WKORPAWPRDQRRJ-IBGZPJMESA-N 449.636 4.711 30 10 IJEE O=C(Oc1ccc(C=Nn2c(S)nnc2CCc2cccs2)cc1)c1ccccc1 2321988278 WFFFQBXVCYMKNW-UHFFFAOYSA-N 434.546 4.515 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2ccc(Cl)cc2)c1OCCCO 2322542175 LUWUXYPXFIOZNV-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)OC(=Cc1cc(OC)ccc1OC)C2=O 2325079427 RJWDDVIXNRBKBF-IBGZPJMESA-N 440.492 4.739 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc(OCc4ccc(C(=O)OC)o4)c3C)C2=O)cc1 2325381824 IGZSCZBUYKBQPG-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(C)=O)ccc3C2=O)c1 2325566626 BLURBCRXXSCURA-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1sccc1C 2326470647 YYNUFPLHVOVEPK-UHFFFAOYSA-N 426.567 4.952 30 10 IJEE Cc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2328989076 NIHJAWZFBBQOCE-QFIPXVFZSA-N 447.608 4.794 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(Cl)cc1Cl 2329038380 RQLUMBYQFPLLJG-CQSZACIVSA-N 440.400 4.694 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1Cl 2330511094 KYVBIPHSGIAVGS-UHFFFAOYSA-N 442.972 4.696 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccn2)c(C)c1 2330615496 SQNOIUIXCNMRQL-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2330658677 NGOSKBWGFWTLCD-UHFFFAOYSA-N 448.379 4.752 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2330707415 OMVFQFICAHWHDC-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(O)cc1 2331063865 INJRWQNSEXUOTG-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)c1 2331485492 ABMGXVMJMWRKRU-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21 2333283929 WUVPAYPBMZMHJO-MFNDGEPASA-N 428.569 4.772 30 10 IJEE Cc1cc(C#N)ccc1COc1cc(Br)cc(I)c1 2338895509 PMNSRNBPWMWVCW-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587077 OZDBXCIEPJOXQN-QFQMRYFISA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339595679 KPKFBEKJZUGALS-IZGBJUCLSA-N 443.397 4.830 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(c3ccc(Br)cc3C#N)C1)C2 2358645532 CSVUVKSEYFCHBS-BTYIYWSLSA-N 434.378 4.937 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OCc2cc(Cl)ccc2Br)n1 2362187557 FOGMWJSWBGIJTN-UHFFFAOYSA-N 438.558 4.684 30 10 IJEE Cc1sccc1CN(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2377432929 VIKIQHNFTRPQJI-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(O)C#Cc1cccc(Br)c1 2381071912 HTVOKIXKVOMJSF-DEVSCXNHSA-N 434.374 4.635 30 10 IJEE CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)S2)cc1 4782806 QEBMPMQGJFNVMM-ZHZULCJRSA-N 434.477 4.676 30 10 IJEE O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21226706 WRPLWLGNBCCCEN-UKRRQHHQSA-N 431.275 4.906 30 10 IJEE Cc1ccc(C(=O)/N=C(\Nc2ccccc2)N2CCN(Cc3cccc(F)c3)CC2)cc1F 32946402 JOXQKALZSKCSKT-UHFFFAOYSA-N 448.517 4.699 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)c3cccc(C)c3)ccc2C1=O 41355343 KGQDNCQDKQPGIQ-MSXFZWOLSA-N 446.455 4.856 30 10 IJEE C=CCn1c(SCCC(=O)NCc2ccccc2OC)nnc1-c1cccc(Cl)c1 59794834 QQMLMWUDLGTNMY-UHFFFAOYSA-N 442.972 4.592 30 10 IJEE COc1ccccc1-c1n[nH]c(/N=C(\O)CSCc2cc(-c3cccs3)on2)n1 61621108 SHQJMEGFHHSRGO-UHFFFAOYSA-N 427.511 4.718 30 10 IJEE CCOc1c(Br)cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc1OC 96920242 VENMOVFVHYHWDQ-KTKRTIGZSA-N 444.325 4.879 30 10 IJEE CCCCCCCC(=O)N1CCN(c2nc(COC)nc3sc4c(c23)CCCC4)CC1 102992381 RLRIPFTYHFCKBR-UHFFFAOYSA-N 444.645 4.726 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1 103017255 UJXIBGNPWVAXST-LPYMAVHISA-N 432.428 4.548 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2F)cc1 103112413 KAFFMZKSBCTWIY-HQMFNGAOSA-N 438.480 4.534 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1 169972081 FDBOIQLLMQSMEX-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1C1CCCC1 170126162 GFYDLYSVRKYVBC-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccn2)cc1 170170969 KQCSKOUXSKAEPU-HSZRJFAPSA-N 428.488 4.744 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1cccnc1 170187250 JFTBDILNUSYPIW-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cc(F)ccc4F)[C@@H]3c3ccco3)ccc2O1 170290967 LGMJSUOHQBICMG-XUSGNXJCSA-N 437.398 4.664 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)c1 170305227 PNDPYXMUKKXNIM-OAQYLSRUSA-N 448.862 4.905 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC(C)C)cc2)c1 170346749 QFALLLMLNIIXJX-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE COc1ccc(OCCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccs2)cc1 170415853 CCGUXCHPXPPEAO-JOCHJYFZSA-N 449.528 4.722 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1cccc(OCc2ccc(C)cc2)c1 170442738 OMIRRBBYAXESGN-DEOSSOPVSA-N 437.536 4.531 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H](CN2CCCCCC2)C1 303796892 WAUYQCJRFDYEQE-RTWAWAEBSA-N 428.646 4.607 30 10 IJEE C=CCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1nc(C(=O)OCC)cs1 501935038 AUKVYOXYDZIRBM-UHFFFAOYSA-N 441.553 4.671 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 503388051 IVFGZRFRVXWJTP-HSZRJFAPSA-N 430.451 4.635 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 508485826 AFCQSTMFZYZINB-VGSWGCGISA-N 440.494 4.769 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 515073785 KFDNNIRAEUVEBH-IERDGZPVSA-N 437.475 4.535 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CSc1nc(C)nc2sc(C)c(C)c12 521104981 WSUKNGWEVFYRSI-UHFFFAOYSA-N 442.566 4.832 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)c(OC)c2)cc1 526486623 PWIFGXZACOAQDW-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 526514553 DYZZYPVZUIZACQ-QHCPKHFHSA-N 441.443 4.922 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(O)c(Cl)c1 526828475 FOCMUCKAIUKMCM-NHDPSOOVSA-N 431.905 4.672 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1ccc(C(=O)OC)cc1 549647219 VMPNOQVZJDHOSL-GOTSBHOMSA-N 446.551 4.522 30 10 IJEE N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccccc1 571706411 HUPXQMGWIFXHIN-KRWDZBQOSA-N 438.940 4.953 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 584022397 MXMWBFSIJLWPNO-HSZRJFAPSA-N 443.551 4.826 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1C[C@@H]2CC[C@H](C1)O2 670215615 PZLLYTNGKCMQBU-HDICACEKSA-N 427.508 4.697 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(C)cc1C 742214662 HYIXIUAZVRKSOX-NRFANRHFSA-N 437.540 4.816 30 10 IJEE CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 748771294 HSQMZHFQKYWMEQ-UHFFFAOYSA-N 449.551 4.514 30 10 IJEE O=C1/C(=C\c2ccc(-n3cncn3)cc2)CC[C@H](C2CC2)/C1=C/c1ccc(-n2cncn2)cc1 749006504 XORJLPVURFKBSM-GULLANNMSA-N 448.530 4.704 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2CCn3c(cc4cc(Cl)ccc43)C2)c1=S 754854116 POROMJPSPQIJCE-UHFFFAOYSA-N 436.972 4.743 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)NCc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1 762441009 QYFCQQLZZFIAQT-UHFFFAOYSA-O 440.470 4.866 30 10 IJEE C#CCOc1ccccc1CN1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 769466309 KEGGDHAFVKEPMJ-UHFFFAOYSA-N 448.460 4.507 30 10 IJEE C=CCOc1cccnc1C(=O)OCCCC(=O)Nc1c(C)cc(Br)cc1C 781669806 QNPCYQPKMKAYJV-UHFFFAOYSA-N 447.329 4.601 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nn(-c2c(F)cccc2F)cc1C 786931351 XDHOHIVCDKEPNV-QGZVFWFLSA-N 436.462 4.545 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1OCCC)c1ccc(Cl)cc1 810472101 CPCZJALFPKWXPR-MRXNPFEDSA-N 438.833 4.577 30 10 IJEE CC(=NNc1cccc2ncccc12)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 915964960 XBHDVOYNQQHSRZ-UHFFFAOYSA-N 448.523 4.689 30 10 IJEE C[C@H](Sc1n[nH]c(NN=Cc2ccc(Br)cc2)n1)c1nnc(C2CCC2)o1 1084647511 ANYHQQADUUAGDN-JTQLQIEISA-N 448.350 4.517 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1124399310 WTIOSNOHXMQBRH-MRXNPFEDSA-N 425.982 4.893 30 10 IJEE CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Br)c(C#N)n1 1130237159 GARFHBCKCXNXKL-GFCCVEGCSA-N 426.236 4.942 30 10 IJEE C=CCc1cc(CNC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc(OC)c1OC 1136461108 YBLJKVPSMVNTCY-HXUWFJFHSA-N 449.334 4.549 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)Nc3nc4cc(Br)cnc4[nH]3)c2)cc1 1141329612 FAXOZCHBJXFKSX-UHFFFAOYSA-N 433.269 4.588 30 10 IJEE C=CCONC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1158208777 SAFYTHGVJTVYAV-IBGZPJMESA-N 434.536 4.662 30 10 IJEE COC(=O)c1cccc(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1C#N 1194714077 GOIKLGMVIJLTAX-HXUWFJFHSA-N 432.442 4.716 30 10 IJEE C#C[C@@H](NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)c1ccc(Cl)cc1 1206090910 CJJXLBWLMQWPJN-GHTZIAJQSA-N 428.960 4.955 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 1230468046 FALRUJLDFUSICK-UHOSZYNNSA-N 437.353 4.634 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCc1cc(Cl)cc(Br)c1 1246105300 KQRPSHMGZOFBPT-UHFFFAOYSA-N 441.753 4.518 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1253903280 ZEYSNWYHNLJWFZ-HXUWFJFHSA-N 447.624 4.587 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)c1ccccc1 1269337753 QESFIKHLNKJFFV-FQEVSTJZSA-N 442.401 4.889 30 10 IJEE C=CC[C@H](OC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)c1ccc(Cl)c(Cl)c1 1270234811 CBAKTXZNIYWKQY-BMIGLBTASA-N 445.393 4.819 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(-c3ccc(F)cc3)nc(C)n2)CCCN1C(=O)OC(C)(C)C 1275462187 AGSLLTRLWTYDHS-XMMPIXPASA-N 440.519 4.875 30 10 IJEE C#C[C@@H](NC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)c1ccc(Cl)cc1F 1275499577 ZESILPGXTBBHLI-OAQYLSRUSA-N 442.918 4.756 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286314656 GDCAZQFRSXTXNF-HXUWFJFHSA-N 426.008 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](CCC)OC 1286517439 VJJYXWNNWQAQSH-IIBYNOLFSA-N 449.368 4.654 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@@H]1C 1286676094 VXZLJADAIJJPLL-HNNXBMFYSA-N 439.387 4.991 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)c2cccs2)CC1 1286688224 VNGZEGBKLZNZED-LJQANCHMSA-N 428.602 4.689 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286696770 QFVCJNLDFRFROK-QGZVFWFLSA-N 444.505 4.532 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286731052 XXJABAWWPWSYJL-KDURUIRLSA-N 446.039 4.889 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCCO1)C1CC1 1286734503 BRFGKNFSCIEUJF-OAQYLSRUSA-N 431.378 4.740 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN1CC 1286763636 OGGHWMPYJVNIAL-NRFANRHFSA-N 439.991 4.911 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1286830856 VZIASADKPSPONA-RBUKOAKNSA-N 430.593 4.646 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H]1CCCCO1 1288961365 HLDFYBOLQSEWOZ-JXQFQVJHSA-N 441.551 4.646 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 1300339971 TYLAWWPDNCEOFN-RBUKOAKNSA-N 430.980 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1300816927 YCERSSNQOWEOAC-YIXXDRMTSA-N 449.643 4.526 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CCC1CC1 1300851385 RSQLEATZBQRRKF-UHFFFAOYSA-N 425.321 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)[C@H]2CCCN(c3ccccc3)C2)nnc1C(C)(C)C 1300896199 COKDJBYMOUVUMB-PMVMPFDFSA-N 437.632 4.662 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(OCc3ccccc3)CC2)nnc1C(C)(C)C 1300898703 ZOYLAZODOCORDV-FYYLOGMGSA-N 438.616 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(F)(F)F 1300905212 LZWVHPLDCSEMEM-UHFFFAOYSA-N 433.272 4.681 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1300972188 KBSGSELHBUUKDB-AZUAARDMSA-N 428.552 4.623 30 10 IJEE C=C(Cl)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CCCO)CC1 1301023048 AZPCOGMTCQTVCT-OAHLLOKOSA-N 435.037 4.873 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCC)c2OC(F)F)CC1 1301118707 FWAUMGXRQDUOCW-UHFFFAOYSA-N 443.498 4.724 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1301240892 HGPHCFJZCIAKGE-NRFANRHFSA-N 433.581 4.985 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCCSC)C1CC1 1301320713 KEKCADUPGQDTIX-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@H](C)C1)C(C)C 1301366620 GIKJYWJXLGDHFX-CQOQZXRMSA-N 437.632 4.566 30 10 IJEE C=CCn1c(N2CC[C@H](CN(CC)CC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1301473416 BFRCCFQTLPIBEA-LJQANCHMSA-N 447.549 4.645 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1301610268 URAHCNXHFMHDMC-HXUWFJFHSA-N 428.602 4.824 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(=O)OC 1303687468 QOKXCQYHEOOJEU-ICSRJNTNSA-N 446.341 4.583 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2ccc(C#N)c(Br)c2)C1 1307207220 NNBWLEUAGMASDV-CYBMUJFWSA-N 430.293 4.625 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)CCCC1(C)C 1309453840 YRVWNCLZLUYUOS-MOPGFXCFSA-N 426.420 4.703 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 1310374842 ZJFNAYVIZHXWNT-SFHVURJKSA-N 431.305 4.839 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1311807808 HMLGBBRHWGGVIP-GOSISDBHSA-N 436.556 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1358897723 FIJKQYKKMFXULY-WSNOQYBDSA-N 438.616 4.960 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1scnc1C 1358922945 XLQDELAPHWCYBB-OAHLLOKOSA-N 425.627 4.946 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cc(C(C)(C)C)no1 1359001592 YBWXQQWQIRIOIZ-IBGZPJMESA-N 435.572 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)C(F)(F)F 1359063421 SASWEVLTMNHATR-JOCHJYFZSA-N 447.505 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1359091697 QTBATAJHVPNSMR-ADHNFCLRSA-N 438.616 4.805 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCSCC1 1359109170 RDBSNOJRKYNUCO-UHFFFAOYSA-N 427.662 4.694 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(CC)CC1CCC1 1359128495 VXAICLBPRNDSHE-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccncc2Cl)CC1 1359159358 UQRAMIIPSWYERM-INIZCTEOSA-N 427.911 4.810 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC(C)(C)C1 1359224002 CRUMWSOLXSDLLA-UHFFFAOYSA-N 437.009 4.532 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1Cc1coc2ccccc12 1359929318 BXRDZBZNAKYDGT-UHFFFAOYSA-N 428.540 4.825 30 10 IJEE C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CC#N)N(C)C(=O)OC(C)(C)C 1360544359 HQKKKMZEJYDSOA-CVEARBPZSA-N 446.983 4.592 30 10 IJEE C#CCN(C(=O)/C=C/c1cccc(OCC)c1)[C@@H]1CCOc2ccc(Br)cc21 1360557093 NBZINVBUINXDFF-OGECGYFKSA-N 440.337 4.847 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)n3)cc2F)c1 1435008035 GGSWVOQUJGHYPZ-UHFFFAOYSA-N 447.857 4.763 30 10 IJEE N#Cc1cc(F)c(N[C@@H](CCO)c2ccccc2Br)cc1Br 1458308641 BTEQXMYNNZKIRC-HNNXBMFYSA-N 428.099 4.758 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)c1ccc(F)cc1 1466436846 YQAZYLKFPSHKHJ-CYBMUJFWSA-N 431.290 4.603 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1csc(-c2cccc(Br)c2)n1 1468479802 UDIDQIZLAIFBSF-QGZVFWFLSA-N 433.371 4.641 30 10 IJEE C#CCN(C(=O)NCCc1cc(C)cc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1468903532 IRUKCMKKYCAHKB-NRFANRHFSA-N 441.369 4.777 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)cc1OC 1472269520 PSBDYNCITBTKAH-WXFJXSOESA-N 444.572 4.569 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cnc(Cl)c(OC)c1)c1ccc(C(F)(F)F)cc1 1475121930 ACARBTCLXCDNDN-OAHLLOKOSA-N 434.867 4.748 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1F 1475286299 RDJHIFYSJUAEBY-CQSZACIVSA-N 426.218 4.804 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3-c3ccccc32)cc1Br 1475442322 GFYLXUUJTYQBRX-UHFFFAOYSA-N 425.307 4.697 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1476008196 ZQLKUIYUGKLMMX-LLVKDONJSA-N 445.397 4.687 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1)c1ccc(Br)cc1 1478895499 CUVSMMKWARAYKU-PKOBYXMFSA-N 443.389 4.664 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1479204473 SMZNXPURWXVBKE-OAQYLSRUSA-N 449.636 4.571 30 10 IJEE CCC(CC)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1)OC 1496590901 AEMQEFOKDFYCAD-JOCHJYFZSA-N 445.995 4.846 30 10 IJEE COC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1503906332 GYBSDYDIOCEIPT-QMHKHESXSA-N 427.618 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc(C(C)(C)C)cs1 1507534869 AZETXEXZOVFFAB-MRXNPFEDSA-N 442.032 4.977 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCCN1CCC[C@@H](C)C1 1507618577 AIBWAWZPCRDIMQ-LJQANCHMSA-N 446.064 4.805 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)SC 1507643587 WYDSYWNKXUUDBX-ZWKOTPCHSA-N 431.005 4.513 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1507648665 MCDFIJCOAZNBIN-QFIPXVFZSA-N 445.655 4.826 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1507829108 QVWDWGDFYKASLK-VQTJNVASSA-N 448.615 4.534 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(F)(F)F 1507838318 QAXWOKXVGHXVND-UHFFFAOYSA-N 447.299 4.607 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 1507860016 HLCAADBQFGCVOH-GOSISDBHSA-N 445.976 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OCCOC)C1 1507912201 PHFUPCBTHILDOF-FQEVSTJZSA-N 432.996 4.833 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1507945504 CBYAWDBZRXFTQA-SFHVURJKSA-N 444.023 4.942 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1nc(C)cs1 1508011034 KKFBZDBLJULFDS-CRAIPNDOSA-N 429.615 4.952 30 10 IJEE CC(C)(O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CC#N)CC1 1508741636 BMZSSEITPCIGDR-UHFFFAOYSA-N 429.977 4.714 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)s1 1510853733 DNFOYSTWLBJHOR-OAQYLSRUSA-N 446.580 4.719 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(F)c(Br)cc2F)cc1 1518640811 GZUYPKQNUPPJAP-UHFFFAOYSA-N 435.268 4.794 30 10 IJEE C#CCCCCCC(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1520087798 LHOGNZLDLIIRPO-UHFFFAOYSA-N 442.556 4.765 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2cc(I)ccc2N2CCCCC2)c1 1520812487 KYUYGINNMFWTKV-UHFFFAOYSA-N 444.316 4.539 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1c2c(c3cc(OC)ccc31)CCCC2 1525731231 SNMYOQJJSFAGIA-UHFFFAOYSA-N 434.584 4.911 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1526964935 ZKYKFLHBSGOPQT-QHCPKHFHSA-N 448.588 4.851 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 1532324928 LTPJCRBKYXPCQW-YYDVJCTNSA-N 438.593 4.691 30 10 IJEE C=CCc1cc(C(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)cc(OC)c1OC 1535924906 BIMLSVRNBQDUOR-AWEZNQCLSA-N 430.342 4.782 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)n1C)[C@H](Cc1ccccc1)C(=O)OCC 1537317246 NZHWVCZEQWFNBS-XMMPIXPASA-N 434.511 4.634 30 10 IJEE C=CCCC[C@H](C(=O)NCCOc1ccc(I)cc1)c1ccccc1 1538160137 IEFLJZJNTQSHCQ-FQEVSTJZSA-N 449.332 4.926 30 10 IJEE C#CCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)[C@H]1CCCc2ccccc21 1538322021 ANKYROHCHOSJNA-QHCPKHFHSA-N 429.520 4.607 30 10 IJEE CC(C)(C)OC(=O)NCC1(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 1538704972 FTTIKEBFSGSNJO-UHFFFAOYSA-N 425.554 4.598 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(C)C)C1 1539049485 OPCAQELELHNCJS-KRWDZBQOSA-N 432.410 4.722 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1539075704 FKWFXDMNQNJTHJ-JYFHCDHNSA-N 443.595 4.672 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1=CCCCC1 1539249947 GLSVCVCQXKMEJX-UHFFFAOYSA-N 426.520 4.690 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCc1ccccc1C(F)(F)F 1539305766 OCTKCLGKHOMTQZ-UHFFFAOYSA-N 426.442 4.571 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCOc1cccc(C)c1 1539351264 QVNGVWBCGXVKBA-UHFFFAOYSA-N 445.386 4.616 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H]2C)ccc1Cl 1539680170 CEMAJBCXZQNPAM-MJGOQNOKSA-N 447.000 4.887 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2CCOCC2)CC1 1539835562 DCYOIALAUAZOON-UHFFFAOYSA-N 431.378 4.599 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)[C@H](C)CC)CC1 1539835949 JMTPGAAECYSLIJ-OAHLLOKOSA-N 438.439 4.656 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](COC(C)C)C1 1539952295 ATOKWJWMADNMML-NRFANRHFSA-N 449.599 4.788 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1539990854 SYASAQLUPHFHPQ-PMACEKPBSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C(C)(C)C)C1 1540020025 GIZGAKSHOZZFNJ-HXUWFJFHSA-N 434.588 4.800 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCNC(=O)OC(C)(C)C 1540053126 AWWBGPKMZAEEPM-INIZCTEOSA-N 445.633 4.668 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1CCCCO1 1540137992 XVGSGUPOMWKINY-VXKWHMMOSA-N 442.579 4.853 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CCCO1 1540141084 YYGYGSNYNYVPLA-QFIPXVFZSA-N 439.541 4.677 30 10 IJEE Cc1nc(SCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c(C#N)c(C)c1C 1540501007 CGHAMOZYSBKUGS-NRFANRHFSA-N 443.016 4.577 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1540919161 IALDUNOASKNXIS-UHFFFAOYSA-N 448.640 4.572 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)CCc2cccc(Br)c2)cc1OC 1544620675 IINSQWAYNQQNTG-LUAWRHEFSA-N 430.342 4.737 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cn(C)nc1C 1557449645 YIOVWKIZYTVDDB-QHCPKHFHSA-N 444.535 4.541 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 1563103075 MYPHUDWJVLHDBG-UHFFFAOYSA-N 438.981 4.895 30 10 IJEE C=CCC1(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)CCCCC1 1563429359 MNUHKCKSGZDFSS-FXAWDEMLSA-N 437.987 4.819 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1 1564505791 LXPIEMNNCRNCGA-RTWAWAEBSA-N 429.923 4.981 30 10 IJEE COc1ccccc1-n1ncc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c1C 1584393808 GUVGCIQQMLCIHJ-HNNXBMFYSA-N 442.441 4.763 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1sccc1C 1587579336 FGLSNVSFRRKYCG-CQSZACIVSA-N 445.386 4.592 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2(CC(C)C)CC2)c1 1587692889 LXVITDDYHNPCLP-UHFFFAOYSA-N 433.600 4.818 30 10 IJEE CC(C)(C)OC(=O)[C@@](C)(NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 1588317410 HBHCNSWPEKWYNI-SANMLTNESA-N 446.503 4.717 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CCC)C1 1589007348 LXAMXGGRDKYYJF-NRFANRHFSA-N 426.630 4.614 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)CCOCC 1589495921 UVKSCVNNRWZEQJ-GBXCKJPGSA-N 449.599 4.646 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1594229832 VQMITXILTJYRBW-IBGZPJMESA-N 431.584 4.938 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]1c1nncn1C 1594460712 AQEHBYFQCDRNBK-SFHVURJKSA-N 425.968 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CCSC1 1594472643 HJBKIJPFOBOVOI-GOSISDBHSA-N 430.618 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1594477786 KAJRSYLRXXVSKM-FQEVSTJZSA-N 434.588 4.803 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)Cc1ccc(OC)cc1 1594885748 OCDFVWJWDILZDJ-HNNXBMFYSA-N 444.377 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1cn(CCCCC)nc1C 1594923720 UCWHXPXZUVLNJO-UHFFFAOYSA-N 429.572 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CC(=O)N(C)C1CCCCC1 1595162017 SUNOSTONLABUIC-UHFFFAOYSA-N 429.634 4.522 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@H](C)N1CCC(C)CC1 1595251942 ZDAKVZIROOTAJS-QFIPXVFZSA-N 433.600 4.894 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(-c2ccc(Br)s2)s1)C(=O)OCC 1598350411 MVRFPNOVYDOWOR-NSHDSACASA-N 428.373 4.867 30 10 IJEE N#Cc1ccc(CN(CC(=O)NCCCC2CCCCC2)c2ccc3nc(O)[nH]c3c2)cc1 1615983604 DSSFORIAHSVAEX-UHFFFAOYSA-N 445.567 4.623 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)C1 1617488833 AZZSQXRAISZAAX-PZJWPPBQSA-N 425.602 4.639 30 10 IJEE Cn1c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)nc2cccc(Cl)c21 1618376769 ACJYIMXYSFOILO-QHCPKHFHSA-N 439.995 4.585 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1 1618597776 POJDTRFHUGTWAK-IIMAJNMQSA-N 437.483 4.894 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)c(C(F)(F)F)c1 1621599305 GFFMNOCLOZLJLQ-UHFFFAOYSA-N 430.451 4.687 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 1621689606 RESAEJXNTWPFQQ-UHFFFAOYSA-N 427.566 4.714 30 10 IJEE C=C[C@H](C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O)c1ccccc1 1623570400 MWRNTLJSNIUGKM-VQTJNVASSA-N 441.369 4.647 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 1623854323 HYAZABBHZGMDPE-UHFFFAOYSA-N 426.801 4.724 30 10 IJEE N#Cc1cc(Cl)c(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c(Cl)c1 1626462994 FMUXKVOCJTVLRP-UHFFFAOYSA-N 432.694 4.981 30 10 IJEE C=CC1(CC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)CN(C(=O)OC(C)(C)C)C1 1631511326 WXCMAFNXVACTEB-SFHVURJKSA-N 428.577 4.521 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccccc1Br 1631547349 DKCMKQCENQPZTO-MAUKXSAKSA-N 439.394 4.746 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccncc1 1631878813 VXKLDNJDJDDGAN-NHCUHLMSSA-N 442.604 4.766 30 10 IJEE C=C[C@H](C(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21)c1ccccc1 1636942202 XMSUOFSBPYQXCR-ZVUIFXONSA-N 448.563 4.976 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc2ccc(Cl)cc2n1 1640786521 DBCMVHFCQHADEH-UHFFFAOYSA-N 428.005 4.986 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)Cc1cccc(C#N)c1 1641631274 IZDPYOSWVPNIRF-UHFFFAOYSA-N 441.510 4.603 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C)cc(C#N)c2)cc1OC 1642592226 BZTPAXLKFIZEDH-UHFFFAOYSA-N 438.487 4.989 30 10 IJEE C[C@H](C#N)N(CC(=O)Nc1ccc(Br)cc1)Cc1cccc(C(F)(F)F)c1 1643522932 IDOVXLMKFIPRJW-CYBMUJFWSA-N 440.263 4.821 30 10 IJEE COc1ncc(NC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1C#N 1644426545 HKQIZHWPWPHLLO-DEOSSOPVSA-N 428.517 4.711 30 10 IJEE C=CCOc1ccccc1CN(CC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccc(C)c(C)c1 1644907688 AWTVTUZAABWJIR-QFIPXVFZSA-N 436.596 4.901 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1646576313 PIKSPCZDFBZJQV-FNZWTVRRSA-N 444.575 4.764 30 10 IJEE COCCN(CCC1(C#N)CCCCC1)C1CCN(C(=O)OCc2ccccc2)CC1 1646583173 CUQDPUMGCGGCGY-UHFFFAOYSA-N 427.589 4.600 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)COc3cc(Br)ccc3C#N)CC2)cc1 1652875687 FLQJFRSYDZXMMC-UHFFFAOYSA-N 441.369 4.879 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2cc(Cl)ccc2Cl)CC1 1654120825 BVNRYEZBVXJREB-CYBMUJFWSA-N 437.758 4.668 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1 1654686091 ARBNIQDCPRVHLC-FGZHOGPDSA-N 447.000 4.572 30 10 IJEE C=CCC[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccccc1 1655297272 REEJLQOFGLQZJT-FQEVSTJZSA-N 429.542 4.889 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1OC 1657312397 JKBDQESXBUKLRM-GOSISDBHSA-N 435.351 4.852 30 10 IJEE CCS(=O)(=O)Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 1658747955 AGOJHFMVKKKPPO-UHFFFAOYSA-N 435.505 4.929 30 10 IJEE C#CCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCCc2ccccc21 1660323715 IWXAKXKPPVKICP-VWLOTQADSA-N 426.564 4.831 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1665644378 OBIDWSFZNFQADM-RHSMWYFYSA-N 436.375 4.599 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 1667428975 FTEDYSUIXVMEOC-LPHOPBHVSA-N 431.330 4.741 30 10 IJEE N#Cc1cc(S(=O)(=O)NCCc2ccc(-c3ccccc3)cc2)ccc1Br 1667886960 DITODHZSYXNZTI-UHFFFAOYSA-N 441.350 4.509 30 10 IJEE COC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 1669489722 HPIVFENXXTVHIX-UHFFFAOYSA-N 445.450 4.866 30 10 IJEE CCN(C[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)c(F)cc2C)C1)CC(F)(F)F 1672569083 ICJPYYHQTOPLMD-GFCCVEGCSA-N 429.380 4.891 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)C1)c1ccc(Br)cc1 1674031087 PBXNVGGVSXHAKO-NFBKMPQASA-N 437.337 4.773 30 10 IJEE C#CCN(C(=O)NCCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCCc2ccccc21 1674145792 QXYJHABGKPPJQN-HXUWFJFHSA-N 430.474 4.625 30 10 IJEE C=CCCC[C@H](NC(=O)NCCNC(=O)c1ccccc1C(F)(F)F)c1ccccc1 1676755552 MADLLHCVLNIVEH-FQEVSTJZSA-N 433.474 4.832 30 10 IJEE C#CCN(C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O)[C@@H]1CCCc2ccccc21 1678254126 WUJYXUFASBRDCU-RUZDIDTESA-N 443.522 4.889 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 1683203591 WQOQKDQMUGAKOD-CABCVRRESA-N 427.998 4.887 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc(F)c(F)c1 1686174066 WFIABNDPNIUUMI-ARBPTSGCSA-N 445.485 4.773 30 10 IJEE C#C[C@@H](NC(=O)N(CCOC)Cc1ccc(C)c(C)c1)c1ccc(Br)cc1 1686921527 MJILFGZQVZVLCW-OAQYLSRUSA-N 429.358 4.598 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCCCC2)C1 1689879945 MMTFTAODLJCVAK-UHFFFAOYSA-N 437.544 4.586 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CCC)CCC1 1690095115 FCEMFMZLKSTWDZ-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1690210484 DDEUVLBDZACIIS-CNNODRBYSA-N 448.537 4.501 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CCS[C@@H](C(C)C)C1 1690231507 DSHZSTFHIGZURE-LJQANCHMSA-N 449.462 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CC=CCC1 1690259618 PSSDQMLEZNXRDM-UHFFFAOYSA-N 444.421 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1OCCC1(C)C 1690260385 JGTANXGDIPIVPE-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1690279507 MQEVVXARXYNAFH-UHFFFAOYSA-N 445.995 4.916 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C2CC2)C1 1690301077 OOQXZYVLWCVOQB-HKUYNNGSSA-N 430.980 4.901 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C2CCC1(C)CC2 1690320372 RQZJDYUVTLFFAB-UHFFFAOYSA-N 428.602 4.693 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](CC)C1 1690330201 CSEYLIJQEONUPF-KRWDZBQOSA-N 429.977 4.745 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCn2cc(C)nc21 1690533685 ROGUZRVNCFVCMS-HXUWFJFHSA-N 448.615 4.859 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCCc2sccc2C1 1690750903 RAJMNBHEJDBFGB-UHFFFAOYSA-N 444.601 4.930 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)c(C)o1 1692960009 HNMMWOXXRKKXAK-WGDIFIGCSA-N 447.583 4.807 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1CCCC(F)(F)F 1694546641 CCHUYUBIJPTCHF-UHFFFAOYSA-N 435.494 4.892 30 10 IJEE CCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)CCCC1 1696093578 HHRGBKHTCRBLOK-UHFFFAOYSA-N 435.597 4.906 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1csc(-c2ccco2)n1 1705541865 TYDCTFVXWQMZPD-SFHVURJKSA-N 447.564 4.869 30 10 IJEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](c1ccsc1)N(CC)CC 1705548455 HXTLSTQNNRHOJJ-QFIPXVFZSA-N 444.608 4.707 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(C)CCCC1 1705630655 BIYRBRPMCROKLL-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C=C(Br)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1705687160 YCQNNADVQJFVME-UHFFFAOYSA-N 440.345 4.883 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC2CCCCC2)CC1 1705764778 NAUCVXCGOZKEIZ-UHFFFAOYSA-N 425.533 4.749 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(OC)CCCC2)CC1 1705765091 YDLYSUXENCRIAD-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1705770842 WJKCKMFMJDAIRL-QHCPKHFHSA-N 435.641 4.952 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)SC)CC1 1705785335 DVOSTQYPTDJKJY-AEFFLSMTSA-N 435.638 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1705793014 KDQCJESXZSATCO-FQEVSTJZSA-N 439.995 4.558 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705794102 VYJBGUSAHIKYGG-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1OCCC1(C)C 1705860719 NUMIBWWSKVJFPR-JOCHJYFZSA-N 447.608 4.810 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C)C(C)C 1705867743 VAGHXIHKJOORTJ-SBUREZEXSA-N 429.559 4.687 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2cc3c(cc2C1)CCCC3)C(C)C 1705869161 NKUAXMYIAOBZII-AREMUKBSSA-N 447.671 4.981 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@H]1CCSC1(C)C 1705880661 MBIHLSZXZNVJQI-SFHVURJKSA-N 425.602 4.643 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C)=C(Br)C1 1705941477 LJFIIYSOBDYALY-UHFFFAOYSA-N 449.418 4.752 30 10 IJEE C[C@@H]1C[C@H](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)CCO1 1707975580 AXWMQDNUUDOINK-IEBWSBKVSA-N 427.980 4.934 30 10 IJEE COCc1ccc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)SC)o1 1712209358 CCXWXJWNWIHWKT-JXFKEZNVSA-N 437.569 4.649 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H](SC)C(C)(C)C)c1 1722306120 YGBJYBOYKCVFLB-YLJYHZDGSA-N 441.645 4.626 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C 1722322187 HCMXDOCOGAEUON-FGTMMUONSA-N 432.519 4.520 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1722414931 GBRRYTVQODSYGX-RXVVDRJESA-N 430.980 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCCO1 1722511896 PQTWMJXVPHODJN-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722521017 YSVUTCXJCJTQFA-IBGZPJMESA-N 441.645 4.593 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@H]2CCCCO2)CC1 1722560457 AHPBPCAUSFESBW-QGZVFWFLSA-N 434.382 4.541 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN(C)C(C)C)CC1 1722569982 RBQCYGLTTDVSTN-UHFFFAOYSA-N 438.403 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(CC)C1 1722590536 FPLMBMJGMQCLGO-VWLOTQADSA-N 437.636 4.681 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@](C)(OC)C1 1722611419 JHXZIBGLPUAXBU-HXUWFJFHSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1722614506 POUZHYGEVJTSQO-OALUTQOASA-N 434.588 4.684 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC=CO1 1722661508 IAHJCNJUIIEGCC-QGZVFWFLSA-N 427.961 4.940 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1ccsc1 1722663679 FJIMPTXYLAFSOB-KNQAVFIVSA-N 444.626 4.743 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)c1ncc(C)s1 1722678614 UDNDPFICCVCYDS-QGZVFWFLSA-N 448.596 4.701 30 10 IJEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC1CCCCC1 1722703594 CRUSFAIKZJPASV-UHFFFAOYSA-N 448.036 4.543 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1Cc1ccnc(OC2CCCCC2)c1 1740667023 NABMOTLCTXIFRT-UHFFFAOYSA-N 429.568 4.868 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1cccc(C)c1 1740735652 XXZSPJDTYVSHRY-XLGIIRLISA-N 436.600 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1740764115 UQDJPYXQKKNDRR-JTJYXVOQSA-N 449.599 4.725 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC2(CCOCC2)C1 1740804581 AVDPKSNUMDSWBT-UHFFFAOYSA-N 438.906 4.696 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740860837 RTKDFEGNGHNADV-FQEVSTJZSA-N 440.588 4.857 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740866799 NXSFFFYLOXTKMP-SYYKKAFVSA-N 440.636 4.800 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccsc2)C1 1740971935 AMANHVNZHLQOJY-DYESRHJHSA-N 442.560 4.643 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CC=CCC2)C1 1740972074 CJCAKIUCOGGXQE-XQBPLPMBSA-N 426.536 4.695 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCOC2)C1 1740998265 LKIBOINKJFBCRP-HXUWFJFHSA-N 439.412 4.788 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 1740998911 WWAPKNCIBYQTJD-SFHVURJKSA-N 439.000 4.908 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1748758274 XVYYGFYHSFTMTL-XMMPIXPASA-N 447.671 4.958 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1749022643 DPEXRXCAPZATAA-GOSISDBHSA-N 436.959 4.837 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749120518 FOJZKFXDBDWJQP-ZVDOUQERSA-N 428.577 4.612 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1749126878 HPKJXUCSWRYHJR-NFBKMPQASA-N 440.588 4.571 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCSC2(C)C)CC1 1749285832 ZHQBDYDOADQQFE-LJQANCHMSA-N 439.629 4.835 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C)ccc2OC(F)F)CC1 1749304793 HAIBLALKVUMMBU-UHFFFAOYSA-N 445.539 4.748 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@H]2CCCCO2)CC1 1749330864 QHSQIDURXLITMM-GOSISDBHSA-N 448.409 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1749363464 DNBCZQGTEFVISJ-GOSISDBHSA-N 448.615 4.667 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1749521897 VWVPDTPLQXULTL-BGYRXZFFSA-N 425.596 4.531 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1749547836 XSRDZKMNGDBVKG-QYXIYQDXSA-N 426.580 4.750 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@@H](C(C)(C)C)C2)cc1 1749683785 GFDLQPHQUNYTRG-JOCHJYFZSA-N 436.556 4.711 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1750227963 DFHNKUVBTKAXGW-HSZRJFAPSA-N 427.618 4.746 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1Cc2ccccc2[C@H]1C 1760160631 GPVWAOOBMNNCLO-CTNGQTDRSA-N 449.599 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc(C)nc1 1760214708 ZDBLNBDFMJBISM-UHFFFAOYSA-N 441.579 4.585 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1760283715 YSLZGKOPTGARQM-UHFFFAOYSA-N 434.609 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCN1CC 1760331956 QVSKAIZAFWQTSA-IBGZPJMESA-N 432.410 4.594 30 10 IJEE C=C(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760349222 DUGSJOHODJPQBY-GBESFXJTSA-N 429.609 4.641 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760366517 BLEZSIWNAWZTKJ-QGWWYQLQSA-N 437.371 4.685 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1760383859 AXQKAQVODJPDDP-XMMPIXPASA-N 447.583 4.954 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2oc(CCC)nc2C)CC1 1760399058 XJBJWPVHLHBKST-UHFFFAOYSA-N 436.516 4.553 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1cccs1 1760440416 JMYGHKRVVRPXAP-GOSISDBHSA-N 437.617 4.677 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@H]1CCCN(CC(C)C)C1 1760478744 QJPBHWWWBCVQEX-XMMPIXPASA-N 434.632 4.834 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](F)(C#N)C1 1761553132 DKZQMCQBGMBLQG-KSFYIVLOSA-N 433.478 4.815 30 10 IJEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCC(F)(F)C1 1763655453 MICAAUITUHWETE-HZPDHXFCSA-N 444.530 4.542 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(N2CCCCC2)c1 1763807910 BAKIWLIOFOFLJH-HXUWFJFHSA-N 443.599 4.875 30 10 IJEE CCOc1ccc(N=Nc2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)c([N+](=O)[O-])c1 1772741617 YFPAYVXLDBERFS-UHFFFAOYSA-N 425.445 4.962 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(C(=O)OCC)cc2)c(=O)cc1C(=O)O 1857891582 XYBCTZKIJVUGNV-UHFFFAOYSA-N 429.513 4.663 30 10 IJEE COc1ccc2cc(C#N)c(SCC(=O)N3CCC(Cc4ccccc4)CC3)nc2c1 1858204624 CWRSYZIUXUSFBH-UHFFFAOYSA-N 431.561 4.688 30 10 IJEE N#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(OC4CCCC4)cc3)cn2)c1 1858435280 RFDYKXBPOFLCOK-UHFFFAOYSA-N 434.521 4.819 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1)c1ccccc1 1862102377 LJXCHKCHRIPHDV-JOCHJYFZSA-N 430.552 4.532 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862481168 YHDYEGIDLYNBBR-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(O)c2)cc1 1862506780 AWHXRUKZTOHHKC-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862519931 WPVCNTYOCNTFTE-QVKFZJNVSA-N 438.480 4.760 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1[N+](=O)[O-] 1862547627 ZBXZHPMANBPOKA-QRQCRPRQSA-N 434.492 4.850 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC)cc1OC 1862601366 CHFKUAQFOODYAX-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1F 1862607725 VZXVZYBZWCNAAL-OAQYLSRUSA-N 443.446 4.505 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863363305 UJZARYQJBJRIFV-UHFFFAOYSA-N 428.463 4.783 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1 1863477781 HZQCLKZOMMBLEX-HNNXBMFYSA-N 429.501 4.582 30 10 IJEE C=CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CSc1ncccn1 1870223518 YEJYJENNAQMRSU-UHFFFAOYSA-N 437.565 4.663 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2cccc(Cl)c2C)cc1=O 1871007451 DIRZMDFPPGEZAR-UHFFFAOYSA-N 429.992 4.556 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(C)(=O)=O 1871855051 COUFTVAKZKRVOP-XMSQKQJNSA-N 430.570 4.670 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1872224858 FXBUDVYFCDYCHH-NRFANRHFSA-N 434.989 4.960 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872243510 SFMASPPDGWVTIR-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872277122 HLRBSLUJAMKFIX-NRFANRHFSA-N 448.588 4.871 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(C)ccc1C 1872424982 OVNCKDMFRJNJAJ-GOSISDBHSA-N 434.989 4.859 30 10 IJEE CC(C)OC(=O)c1ccc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1872847260 BSAZFWKDIGUIHE-UHFFFAOYSA-N 428.488 4.632 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874259110 OSCYNRDHVIZHRS-BUVRLJJBSA-N 438.553 4.684 30 10 IJEE Cn1cccc1/C=N/n1c(CC2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1 1874407247 MXBZFQBSUDBNDD-HZHRSRAPSA-N 438.557 4.822 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccnc1 1874423659 XSVBDZIRMAXOBB-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)ccc1O 1874443383 ANPHUQZBJKHMHV-LSCMLXDISA-N 438.553 4.717 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C/c1cc(Br)ccc1O 1874526726 CVTPKXUSXIPLSH-UFFVCSGVSA-N 435.322 4.622 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(Br)ccc2OCC(=O)OCC(C)C)c1 1874572196 ASSGMRPCGIZSCE-VQHVLOKHSA-N 447.325 4.932 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccc(F)cc1 1874594281 BFICJTFJVLSVLH-NTUHNPAUSA-N 435.451 4.757 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1C 1874696074 HGGXCDALABCWCG-FMIVXFBMSA-N 432.472 4.893 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 1874698073 KCPYYYHFDAQXFV-AWNIVKPZSA-N 447.443 4.656 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(Cc3ccc(OCC)cc3)nnc2s1 1874766309 FXXFHGMNBYSNPH-UHFFFAOYSA-N 429.590 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880109564 CGZBLRVRBVOFAZ-DVECYGJZSA-N 429.561 4.963 30 10 IJEE C=CCNC(=O)c1nc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 1891008415 UOECGNTUFUHXPR-UHFFFAOYSA-N 439.349 4.742 30 10 IJEE CN(CC1CCN(C(=O)c2cccc(-n3ccc4ccccc43)c2)CC1)c1ncccc1C#N 1891488631 JHQAXLNSGSASRU-UHFFFAOYSA-N 449.558 4.886 30 10 IJEE C=CCN(Cc1cccs1)C(=O)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 2074868721 OWZSHCDGNGWNSL-UHFFFAOYSA-N 447.648 4.897 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2078847150 PBOOHXRXLKLIGW-YADARESESA-N 445.560 4.976 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079882048 ZKIHHWJORMIVSD-SFHVURJKSA-N 435.309 4.799 30 10 IJEE N#Cc1c(F)cc(Br)cc1Nc1ccc(F)cc1I 2107448368 VZSHLXHTNHUMPT-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE C=CCn1ncc(Nc2cc(C)cc(NC(=O)OC(C)(C)C)c2)c(Br)c1=O 2162382617 AEOFPLIETZHKKT-UHFFFAOYSA-N 435.322 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3ccc(C#N)cc3Br)CC2)C1 2193609781 HGYPWECLDPCMMZ-QGZVFWFLSA-N 434.378 4.794 30 10 IJEE CC1(C)CCN(Cc2ccccc2)CCN1Cc1cscc1B1OC(C)(C)C(C)(C)O1 2223452203 IPAWYAQHFRTELG-UHFFFAOYSA-N 440.462 4.534 30 10 IJEE C=C([C@@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229130333 MXMHIPRCJRMAAT-ZWKOTPCHSA-N 441.486 4.907 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CC1CCC1)NC(=O)OC(C)(C)C 2235733178 NZJSIWWCKBXBAA-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237404076 BTRHIFFRLKBJHC-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE Cc1cnc(NC[C@@H]2N(Cc3ccccc3)CCCC2(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2241083295 ZZAZWTWEDDZKHE-QHCPKHFHSA-N 449.448 4.792 30 10 IJEE N#Cc1cccc(Br)c1N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 2248979354 QZHMPRCDOBWTGW-OAHLLOKOSA-N 442.235 4.590 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2249926310 GEDSAUUIBJAEOZ-NHCUHLMSSA-N 436.557 4.901 30 10 IJEE CC1(C)OB(c2cccc(NCCc3ccc(OCc4ccccc4)cc3)n2)OC1(C)C 2266751670 AYAWJIWVKXNNQU-UHFFFAOYSA-N 430.357 4.614 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccc(Cl)cc2)C1=C(O)c1ccccc1 2296091304 JOXUUAMGHIRBOM-HXUWFJFHSA-N 433.847 4.665 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]1[C@H](C)NC(=O)OC(C)(C)C 2296221604 KCOUTPDNKHYKBC-KCUHQSDYSA-N 435.406 4.718 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2296288164 CSFNXYOADRLABQ-QUCCMNQESA-N 437.422 4.966 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 2296311415 WVZWKEDCVNGVFV-HUYLIWGRSA-N 435.406 4.718 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)ccc3C2=O)c1OC 2296868112 VUHFZKVVRADMMO-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCOC)cc1 2314477228 CXDSZBVBXJKFFR-RUZDIDTESA-N 449.547 4.880 30 10 IJEE CC[C@@H](Oc1ccccc1C=C1SC(=Nc2ccc(C)cc2O)N(CC)C1=O)C(=O)O 2314928082 POMBFGGDMUYPIV-GOSISDBHSA-N 440.521 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317311942 YGQQSAIEWZCYSU-QHCPKHFHSA-N 429.370 4.538 30 10 IJEE COC(=O)COc1c(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)cc1OC 2322930359 MOHJTNCNYWMVOG-UHFFFAOYSA-N 439.291 4.767 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2323301344 VJLOEUSZGGCHQS-RLWLMLJZSA-N 442.600 4.993 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)Nc1nccs1 2323437790 ZLEOVYNFJUWJPG-UHFFFAOYSA-N 448.544 4.944 30 10 IJEE Cc1ccc(C=C2Oc3c(CN(CCO)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1 2324010008 HRJJBVJNNWCFKV-UHFFFAOYSA-N 429.516 4.620 30 10 IJEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2324628188 SHNNIAYGWQJDEW-UHFFFAOYSA-N 442.508 4.557 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)c(OC)c3)ccc2OC)cc1 2325702361 KCYBURXGDVOMSI-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccccc1C(=O)Oc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)c1 2325787047 BCALAMLKJPAHBE-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2325975981 YZCKQCJRXNLWGK-UHFFFAOYSA-N 429.977 4.613 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2326058053 KGHFTKOTBDJNAU-UHFFFAOYSA-N 445.932 4.846 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccccn2)cc1 2328568056 KIAPTTOIJNSQRO-UHFFFAOYSA-N 443.576 4.880 30 10 IJEE Oc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2F)c1 2329192746 SHJXUGHQQCPVPG-UHFFFAOYSA-N 448.523 4.919 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1cncc(C)c1 2331727348 FLUHCYLRNKTTFG-UHFFFAOYSA-N 447.487 4.921 30 10 IJEE C[C@@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339542194 XUVAYWMKFMWHRU-FEFOKTNTSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]2(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339583443 WSXROTUSSKMWQR-RRRIULDXSA-N 442.365 4.505 30 10 IJEE CCC1(C#N)CCN(Cc2ccc(I)c(Br)c2)CC1 2349835167 ILZGQAQIFCNWTJ-UHFFFAOYSA-N 433.131 4.569 30 10 IJEE CCCCCC#CC[C@@H](NC)[C@H](O)c1sc(Cl)cc1I 2366645448 KZLKPNTYTUBQKT-OCCSQVGLSA-N 425.763 4.601 30 10 IJEE O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21255858 AJVYMTACZOXGSM-KBPBESRZSA-N 430.287 4.726 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](CCC)c2ccccc2)nc2cc(Cl)ccc2c1=O 21282087 CWZFRKOTDHDURS-LJQANCHMSA-N 441.984 4.986 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCOC)cc1 35443328 CXDSZBVBXJKFFR-KYEJRSDJSA-N 449.547 4.880 30 10 IJEE C=CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C/c2ccccc2)cc1 37557291 YCTZWTNAIZXSAT-DTQAZKPQSA-N 428.507 4.917 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2cccc(F)c2)C4=O)cc1 41657713 HSGWREKQWKUJGU-OYKKKHCWSA-N 431.463 4.845 30 10 IJEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccco1 54622831 NXVLGFNJMHCTSJ-SFHVURJKSA-N 442.928 4.835 30 10 IJEE CCN(CC)C(=O)CSc1nc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1 59517742 QYPDXRIAAXZXES-CIAFOILYSA-N 428.539 4.916 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1[nH]nc(-c2ccccc2)c1Br 63251605 XPMDQNMRHIPEQI-UHFFFAOYSA-N 441.285 4.576 30 10 IJEE Cc1cc(=O)oc2c1C=CC(=O)/C2=C1\C[C@@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc2N1 136475136 CQTKKJLJCASCFK-QFNVGMEYSA-N 441.443 4.832 30 10 IJEE CCCN1C(=S)N[C@@H](c2cc(Br)ccc2O)C(C(=O)c2ccccc2)=C1C 169929025 RWHIDGXFCLWQDJ-IBGZPJMESA-N 445.382 4.953 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccc(O)cc1 169960770 PMRUIQHPYMCOLA-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccs2)cc1 169987472 NTJOXCXZDCTATO-IBGZPJMESA-N 441.892 4.899 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(Cl)c2)[C@H]1c1cccnc1 170008606 JYVNJFAIUXLCMV-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1cccc2ccccc12 170046211 NKHYDUDILAGCRW-VWLOTQADSA-N 429.516 4.774 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2OC)cc1 170122489 XFWWVLSDXGSDHU-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143159 FNGBMKFYSCKNAY-UPVQGACJSA-N 449.547 4.787 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1 170235921 KXYHSDFQPCCHLB-JOCHJYFZSA-N 434.923 4.633 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F 170251694 GDWWBXJWCZQJQQ-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)c1 170258401 YRMRZZADBZAGAG-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170266507 WYKRBNNGWHLJIU-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccco2)cc1 170279250 NKLVGAKYAGGAAY-JOCHJYFZSA-N 427.460 4.610 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311086 NJXHUQPQGWNMDX-QFIPXVFZSA-N 430.435 4.987 30 10 IJEE O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1Cl 252632029 VOQRXGZDHYYYQW-UHFFFAOYSA-N 440.799 4.822 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1ccc(Cl)cc1C 254517220 DHMBFJGNCIOIOA-UHFFFAOYSA-N 438.887 4.936 30 10 IJEE CC1=NN(c2ncc(-c3cccc([N+](=O)[O-])c3)s2)C(=O)C1=NNc1cc(C)ccc1C 254881098 CVOOOSSBGVPHEF-UHFFFAOYSA-N 434.481 4.526 30 10 IJEE COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCC2CCC(C#N)CC2)c1 441147897 MSNIBIWORFDANZ-UHFFFAOYSA-N 428.536 4.916 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 483135940 BQCFJFMVMCTFPJ-QHCPKHFHSA-N 433.458 4.780 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 502981609 HKAFAEOSGWAROB-JOCHJYFZSA-N 429.904 4.514 30 10 IJEE C=CCn1c(Sc2nc([C@H](C)OC)ns2)nnc1-c1ccc(Br)cc1 509714772 SROHWZNLQZPQMV-JTQLQIEISA-N 438.376 4.604 30 10 IJEE CNC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 515735646 FIYGLHDFVFFSLH-HNNXBMFYSA-N 448.910 4.803 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 525227550 REYYWGUDMQQQFR-UHFFFAOYSA-N 425.485 4.699 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2OC)cc1 526486097 JXZGFIAMPZKHIW-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1cc(Br)cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)c1O 526804021 BKABROHQQAWKGS-FBHDLOMBSA-N 447.358 4.546 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 548851931 UKPRBXBSEUNYEG-OAHLLOKOSA-N 434.384 4.698 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)Cc2ccccc2F)cc1 586151637 VYCLNOXNJJPGOO-UHFFFAOYSA-N 438.524 4.876 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1 586509184 AVQWMCXHKUEGAC-UHFFFAOYSA-N 446.327 4.579 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 609413643 HBLOLYLYZAGDKW-HSZRJFAPSA-N 447.514 4.724 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 735307003 WNXYCGAGLGUWJY-UHFFFAOYSA-N 445.272 4.632 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)CCn3c(=O)oc4cc(Cl)ccc43)c2)s1 739594119 DOFRVDBBFNWYQX-UHFFFAOYSA-N 437.908 4.555 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(c2ccc(CC)cc2)CC1 800774763 AJQPHPNSMMUUOW-DQEYMECFSA-N 443.595 4.598 30 10 IJEE CC/N=C1\S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)C(=O)N1CC 1084244707 RJOFVYQLXDCOAF-RVFNTIOESA-N 445.972 4.846 30 10 IJEE CSc1ccc([C@H](CNC(=O)c2cc(C#N)cs2)N2CCc3sccc3C2)cc1 1125049271 HZWXSMWWLOCTJG-IBGZPJMESA-N 439.631 4.933 30 10 IJEE C=CCc1ccc(OCC(=O)N2Cc3cccc(Br)c3C[C@@H]2CC)c(OC)c1 1128396731 PHESUHVXLMNFED-SFHVURJKSA-N 444.369 4.929 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2cccc(OC(=O)NCC)c2)s1 1130276021 ZJURQXZWAGBORH-UHFFFAOYSA-N 426.947 4.553 30 10 IJEE C=CCC1(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)CCOCC1 1130902351 PXRWCNNBXIVPPT-UHFFFAOYSA-N 432.520 4.774 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NCc2nc(Cc3ccccc3F)no2)cc1 1133668788 DUHVMZKWQBLBMI-UHFFFAOYSA-N 444.491 4.752 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 1135836244 HUCNZVYVODPLRB-IBGZPJMESA-N 432.749 4.541 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cc(C(F)(F)F)ccn1 1136557580 JQHUGIDAAHRDMJ-UHFFFAOYSA-N 431.227 4.759 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(OC4CCCCC4)cc3)n[nH]2)c1C 1143235946 VMWDLAWAKDGVJK-UHFFFAOYSA-N 433.556 4.718 30 10 IJEE CN1CCC[C@@H]2CN(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CC[C@@H]21 1219255735 BJMKRKHCHQJHGI-DOMZBBRYSA-N 441.391 4.924 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1222555183 UZJVOJQMDQHPQP-HSZRJFAPSA-N 440.609 4.930 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 1223848259 LKGCTWRXSIMLHS-RBUKOAKNSA-N 425.529 4.825 30 10 IJEE C=CCN(C(=O)c1ccnc(OC(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1264216706 PFJKQPDOOAKPLE-UHFFFAOYSA-N 432.408 4.548 30 10 IJEE N#Cc1cc(NC(=O)CCN2C(=O)CCc3cc(F)ccc32)ccc1Oc1ccccc1 1269952687 HMNBGCFCIBJIKX-UHFFFAOYSA-N 429.451 4.798 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(C(C)(C)C)CC1 1286316322 JSHVFZIVTOXGOE-UHFFFAOYSA-N 444.627 4.916 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1csc(C(C)(C)C)n1 1286365531 YBNSIECGLOOYLK-UHFFFAOYSA-N 445.539 4.613 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1286498996 HHIWJBHHGBJROM-UXHICEINSA-N 426.630 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CC1CCC(F)(F)CC1 1286527224 FGWFPELNAZAJTR-HSZRJFAPSA-N 428.527 4.983 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](C(CC)CC)N(C)C 1286527230 FLEKFINKCMAZKI-ZEQKJWHPSA-N 437.632 4.524 30 10 IJEE C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1286585078 VAUFMEYCIQXNNJ-SJORKVTESA-N 441.567 4.839 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOCC2(CCC2)C1 1286591285 LMTUKHRJRSISHL-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cccc(F)c2[C@@H]1C 1286667735 MIAIJLFANINSFF-ROUUACIJSA-N 430.568 4.867 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN(c2cccs2)CC1)c1ccccc1 1286681943 YNBMWMDXUMPEJP-NRFANRHFSA-N 437.613 4.563 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1Cc1ccnc(OC2CCCCC2)c1 1286728768 FWLXDMQKZAIVOV-UHFFFAOYSA-N 447.583 4.943 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC1(CCC)CCC1 1286748679 YQTNBMCXODJMBL-HXUWFJFHSA-N 425.552 4.531 30 10 IJEE C#CCCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CCn1cccn1 1300348644 MRGMMPHGXLUWEB-UHFFFAOYSA-N 448.571 4.949 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCCCCC1 1300357849 ZENZGIFMLKCHML-UHFFFAOYSA-N 446.599 4.810 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1300421531 JQJPJGFTDWIUEC-SIKLNZKXSA-N 447.410 4.907 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCCCC1 1300512113 GZRLHCXLNBBEOK-UHFFFAOYSA-N 438.984 4.581 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1300733264 IVIQYGWIPRVAPP-MSOLQXFVSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1300769207 BVCHQNNRRPGLOW-BDTNDASRSA-N 438.641 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCOC(F)F 1300817272 FVWOKBJOGZUTEU-HXUWFJFHSA-N 440.947 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCOC1CCOCC1 1300906191 JSWSJLWVDLNIGO-UHFFFAOYSA-N 436.959 4.726 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1301065378 DSAYENGJPJVVAX-GBESFXJTSA-N 430.980 4.901 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1301280200 FTANHBTVIYZGMB-PKOBYXMFSA-N 431.378 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1301394157 KFLCLAIZZSTDIU-HYBUGGRVSA-N 448.615 4.536 30 10 IJEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1)C(C)C 1303295386 DGHZWXUFLJZVGR-VWNXMTODSA-N 434.632 4.952 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(COC)CCC1 1305462014 AOVYNNVZNKOVPP-LJQANCHMSA-N 437.588 4.528 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(c2ccc(F)cc2)CCOCC1 1305476326 DBSPHEKMWCTRIB-DVECYGJZSA-N 439.579 4.809 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2CC)C[C@H](C)O1 1306449506 HYWXJOHCWMLMJN-WSWWRLHASA-N 437.588 4.559 30 10 IJEE C#CCC1(O)CCN([C@H](C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c2ccccc2)CC1 1308033125 LMLPIUKREKKCPI-QHCPKHFHSA-N 445.588 4.649 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)N(C)CCO3)cc1OCC 1308324320 VXAPQKWXNYSGLJ-UHFFFAOYSA-N 433.346 4.853 30 10 IJEE N#Cc1ccc(F)c(NC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)c1 1310850052 AJSPXJQIYWPCSQ-UHFFFAOYSA-N 432.293 4.673 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccccc1 1312335019 XIDRLIPJFKFPJP-UTKZUKDTSA-N 449.364 4.746 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 1313193685 AZJCASARRUYJDS-QHAWAJNXSA-N 443.389 4.653 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ccccc2OCC=C)c2ccc3c(c2)OCO3)cc1 1347910632 VIJZAOGWIOPQPH-UHFFFAOYSA-N 441.483 4.839 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccsc1Br 1358970941 BIGJRAYZTXRNGX-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(CC)s1 1358970969 CGUDUBAEDPHIID-UHFFFAOYSA-N 425.561 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1c(F)cccc1OC(F)F 1359066966 WAXVMPUKLBUMMI-JOCHJYFZSA-N 430.430 4.627 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1359084479 JAVKTPAQOKCITF-UHFFFAOYSA-N 439.442 4.949 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)CC1CCC1 1359106238 ZGUYIQOCFMDVIQ-CVDCTZTESA-N 442.629 4.797 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC[C@@H]2CCCCO2)CC1 1359160738 BVFUTTMENRXWES-IBGZPJMESA-N 431.378 4.823 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1C(C)(C)C)c1ccccc1 1359195916 UHLUPKLOKYULLP-PKTZIBPZSA-N 447.631 4.985 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CCOCC2)C1 1359197789 ZUHVNQGYNWNPJG-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C 1359265339 DELCWXAXJBRJOH-NJDAHSKKSA-N 433.710 4.896 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359283427 PUASTCJMJQWABA-GHTZIAJQSA-N 428.577 4.787 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCc2ccc(Cl)s2)C1 1359322808 CDHRAXJXXKDEIF-IBGZPJMESA-N 443.016 4.916 30 10 IJEE CCCCc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc1 1443661205 DHIGQUBUNDZWRW-QFIPXVFZSA-N 440.385 4.814 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)c(OC)c1 1456014321 IPOXNAHAXCUYDX-UHFFFAOYSA-N 431.488 4.798 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(CC(C)(C)C)C2=O)nc2sc3c(c2c1=O)CCCC3 1458814498 DETXJROSQCXWDU-QGZVFWFLSA-N 445.654 4.652 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)c1ncc(Br)cn1 1459415470 HDWHUTFMVRHOJZ-LLVKDONJSA-N 429.131 4.890 30 10 IJEE CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1CCC(=O)Nc1ccc(C#N)cc1 1460166163 BYKVHLJHEMTRDO-XMMPIXPASA-N 439.003 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 1470007465 LOGSFLGEMZCAQB-LKUPVBHCSA-N 428.470 4.932 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)CC1 1471233427 GIEMYWKLIBBJHB-XGAFWQRZSA-N 426.582 4.712 30 10 IJEE C=C[C@@H](Sc1nc2sc(C)c(CC)c2c(=O)n1-c1ccc(C)c(C)c1)C(=O)OC 1472918395 SNHPDYUCBNTVKG-QGZVFWFLSA-N 428.579 4.755 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@H](N4CCCCC4)C3)c2C#N)C1 1473170084 DUYZLAALFFVNMZ-MOPGFXCFSA-N 442.673 4.660 30 10 IJEE CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1473396927 FUGGXMIXLSYJAB-VXKWHMMOSA-N 440.613 4.567 30 10 IJEE C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(Br)cc1F 1473518399 HJWCBKHFGSMRQA-NSHDSACASA-N 436.350 4.689 30 10 IJEE Cc1sc(NC(=O)CN2CCC[C@H]2Cc2ccccc2Br)c(C#N)c1C 1473563772 DJSZXHNJGPGESU-INIZCTEOSA-N 432.387 4.645 30 10 IJEE C#CCOc1cc(F)ccc1NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 1474031104 SRMWENNFXFQHGG-QGZVFWFLSA-N 428.504 4.601 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC 1476223149 JUYNZUKHGRZDON-XMMPIXPASA-N 434.467 4.766 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C)n(CC(F)(F)F)n1 1476770446 MLUBUDSJFUCPLH-UHFFFAOYSA-N 449.246 4.876 30 10 IJEE C=CCC[C@H](NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1477408955 MCRLSFMYDVGLPI-HLIPFELVSA-N 441.538 4.900 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC#N)OC 1496515221 CIYFZMSPTSHQBX-OAHLLOKOSA-N 434.382 4.651 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C(C)(C)C1 1507591122 JKISQUJJAHCDON-VQTJNVASSA-N 443.636 4.678 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccco1 1507810988 MZDGCYZKYJVCFV-HYBUGGRVSA-N 436.556 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCO[C@@H](C)C1 1507814791 IQIWTTCVGSCDOO-PMACEKPBSA-N 442.604 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO[C@H]1C(C)C 1507814873 OZNSSLSSQNZLHT-CTNGQTDRSA-N 427.549 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1507818739 ULHAWGXKIZDADI-UHFFFAOYSA-N 446.599 4.863 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCc1c[nH]nc1C 1507819993 YFOKIDMBQGVNTE-UHFFFAOYSA-N 429.572 4.868 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1507935776 UNIOTSFBAYZCGN-IRLDBZIGSA-N 445.007 4.742 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1507936130 YFOMQVHKFNRDNT-BHDDXSALSA-N 440.588 4.787 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@H](COC)C1 1507960725 WHFBNPXTDOYSKP-KRWDZBQOSA-N 436.959 4.583 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1507988178 KBBSHLZBJFHVRZ-MBSDFSHPSA-N 440.588 4.568 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1507989710 DTJNJMMZCYTUIH-UHFFFAOYSA-N 435.475 4.632 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1508038863 ULNVWFLPJLHGJL-IRLDBZIGSA-N 426.605 4.734 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(Sc4ccccc4)cc3)cc2C1=O 1519262973 YSGAELMDUGYCSU-UHFFFAOYSA-N 428.513 4.550 30 10 IJEE CC(C)CN(CCc1ccc(F)cc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1526282142 BXUXFZXOGIYQRE-UHFFFAOYSA-N 425.523 4.780 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 1526362367 DFERNHRLKDVPRO-XMMPIXPASA-N 431.442 4.871 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C)c1ccc(Cl)cc1 1528062361 ZRIATDGNBGUXQK-UKILVPOCSA-N 432.951 4.667 30 10 IJEE C#C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(Cl)cc1F 1528523771 PWKAMBTUDJLKJB-HNNXBMFYSA-N 431.088 4.765 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1534985161 DADTXPSJMJNMQS-QFIPXVFZSA-N 441.453 4.925 30 10 IJEE C#C[C@H](NC(=O)CSc1ccc(Br)cc1)c1ccc(Br)cc1 1535479268 NPRWWONKLWISKH-INIZCTEOSA-N 439.172 4.794 30 10 IJEE CCOC(=O)N1CCC(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1537445102 GDOGEFSAGNOAPY-UHFFFAOYSA-N 444.347 4.783 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1nccs1 1538977226 UHZJZQYMOKOBCL-HNNXBMFYSA-N 434.594 4.534 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1CC 1539065971 OAVCLSXWUQVYTG-HBMCJLEFSA-N 443.636 4.821 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1539086180 YQRGOIQKWBLEQL-DXBBTUNJSA-N 430.637 4.642 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(N(C)C)cc1C 1539155956 ZFTIDFVRSUAZNU-QGZVFWFLSA-N 433.625 4.624 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1539171154 HDIVLNALKRWJQN-UGKGYDQZSA-N 433.556 4.511 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(CCOC)CC1 1539345171 QQWKPQDHCGLNKG-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1539498335 SGNVMUXLIHXCLO-KNKQGSTJSA-N 440.613 4.562 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)NC1CCCCC1 1539661449 CTTMOXKSJJAZNS-UHFFFAOYSA-N 448.615 4.678 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1539855553 YUJNBVUCESAWBD-UHFFFAOYSA-N 449.502 4.737 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCCOC1)c1ccccc1 1539940536 RQXVLUNQYIAQBZ-GGAORHGYSA-N 431.584 4.871 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(OC)c(F)c1 1539981023 DLMFCHBEYHFDSM-UHFFFAOYSA-N 448.340 4.786 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1540012658 UHBIUACVWMKPSS-UHFFFAOYSA-N 441.645 4.562 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@]2(CCCOC2)C1)C(C)C 1540152084 PIFZJZNRIQJAKS-JYFHCDHNSA-N 441.664 4.641 30 10 IJEE C=CCn1c([C@@H](C)CC)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1540853940 WKIITCUFPNNTPR-AWEZNQCLSA-N 427.902 4.976 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCC)[C@@H]3C[C@@H](OCC)C34CCCC4)n[nH]2)c1C 1543998082 TXTGGYNTTGUADN-FGZHOGPDSA-N 439.604 4.666 30 10 IJEE CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1544401058 ICNIZVKRFJYDIY-DQEYMECFSA-N 432.564 4.735 30 10 IJEE Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1544513296 BBYHBNHFNPPSNE-UHFFFAOYSA-N 443.536 4.516 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)c2C#N)CC[C@H]1C 1544832201 BUKGTSQPYDSFAM-NEPJUHHUSA-N 435.471 4.988 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1545472716 GBAYYNKKWDHQSY-HOOSLVGPSA-N 433.560 4.775 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 1558192526 BRDKZCVCWPFKCO-GMAHTHKFSA-N 433.552 4.552 30 10 IJEE C[C@@H]1CN(CCOc2ccc(CCNc3nc(C(F)(F)F)ccc3C#N)cc2)C[C@H]1C 1559153534 ALESUSRPAQRDBF-IAGOWNOFSA-N 432.490 4.593 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)CC1(CNC(=O)OC(C)(C)C)CC1 1560630492 YRRKJHMIFFQRSG-UHFFFAOYSA-N 427.358 4.881 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1584398584 QVZYUJNNFKIESS-FDDCHVKYSA-N 442.581 4.669 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C1CCCCC1 1587830754 AWFQDGSADPJIGB-UHFFFAOYSA-N 431.378 4.899 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOCC)CC1 1588284647 XRFVKSSWAMJBNZ-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](SC)C(C)(C)C 1589185643 FOXCSPYYBXTMEO-HYBUGGRVSA-N 442.629 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C1CCCCC1 1589560201 YEBJLLYDOSBFLU-OFVILXPXSA-N 438.616 4.822 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](F)c1ccc(Br)cc1 1589641738 ODBKDWRDQZPACF-GOSISDBHSA-N 447.356 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1594510799 AHWAGZSCHRCJDJ-UXHICEINSA-N 443.661 4.879 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3cccc(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1594528279 HXNVZYGLJCUZKO-GJZUVCINSA-N 438.616 4.835 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1594693074 OWCREEQRMKKBBB-NRFANRHFSA-N 431.378 4.681 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C(C)C 1595170781 JNSNYASHFOBWDQ-NVQXNPDNSA-N 443.680 4.886 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCSC1(C)C 1595260930 NIOLKTNSHKFLCX-UYAOXDASSA-N 430.618 4.880 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)C1CCCCC1 1595275528 FXKXKQZAJSSSAV-QHCPKHFHSA-N 432.996 4.569 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl 1595452168 WLOOGJWIRFXTPL-ADLMAVQZSA-N 431.813 4.915 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C/C=C\CC)C1 1595699994 JSMPOOYNLCODGU-OGZRUICASA-N 435.341 4.594 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1 1596205674 OFUHYJWYTCXIIR-ROUUACIJSA-N 447.000 4.839 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)c(OC)c1 1598406649 CHRTZKYEJFRIDP-UHFFFAOYSA-N 446.429 4.554 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1 1603511042 QWKUODZDZKWXKD-WJOKGBTCSA-N 431.517 4.767 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1ncc2c(n1)CC(C)(C)CC2=O 1614649400 HGFGUOZQFMBELA-AWEZNQCLSA-N 440.594 4.614 30 10 IJEE COc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3OC)N(Cc3ccco3)C2=O)cc1 1615303125 WKCSTEDCZFEZML-WTGMLGSZSA-N 447.516 4.803 30 10 IJEE COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2sc3ccc(C#N)cc3c2C)c1 1621959567 CTMFZJRRPZELBU-XOBRGWDASA-N 426.563 4.862 30 10 IJEE COc1cccc(OC)c1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1623023718 AQTDKLAIVXVFMZ-UHFFFAOYSA-N 435.455 4.615 30 10 IJEE C=CC1(CC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)CN(C(=O)OC(C)(C)C)C1 1626158041 HYFNNUWBRSEZFS-UHFFFAOYSA-N 445.560 4.933 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1626818140 HSVUWKQCELVUSF-HOYKHHGWSA-N 432.564 4.858 30 10 IJEE C=CCc1cc(CNC(=O)NCCc2cccc(Br)c2C)cc(OC)c1OC 1630469433 WOWYPLICEDTJTG-UHFFFAOYSA-N 447.373 4.545 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)c1ccccc1 1631090866 QHZXRNQHXXZYFW-LJQANCHMSA-N 442.562 4.692 30 10 IJEE C#C[C@@H](C)N(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1639772541 NXYVHLRNXCGCGH-NIYFSFCBSA-N 438.527 4.747 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1643543407 QJQKZYVCVXNYJI-QGZVFWFLSA-N 441.369 4.973 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](c3ccccc3)C[C@H]2C)n(-c2cccc(F)c2)c1C 1644613919 HFBDNUGHKHQERB-DYESRHJHSA-N 430.527 4.921 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCOc3ccc(Br)cc32)ccc1Cl 1645308836 BQIXDQAJYLNYHM-UHFFFAOYSA-N 448.748 4.557 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)C1 1649591857 GGXPSLZISWHAAC-QHCPKHFHSA-N 435.597 4.802 30 10 IJEE COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2cccc(F)c2C#N)c1 1654735539 CUIRMOLQAHPIDZ-HYBUGGRVSA-N 436.508 4.625 30 10 IJEE C=CCN(CC=C)[C@H](CNCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(C)C 1655261552 MKIYBFOFCWVLLI-XMMPIXPASA-N 427.633 4.768 30 10 IJEE C#CCCS(=O)(=O)N(C)[C@]1(c2ccccc2Cl)CCC/C(=C/c2ccccc2)C1=O 1655535185 AGHARLUDIVUKDS-QAACRSNZSA-N 441.980 4.657 30 10 IJEE Cc1ccc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c2cccnc12 1655746971 GZLISHOWMGBUPX-OAHLLOKOSA-N 433.455 4.665 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(O[C@H]2CCCC[C@H]2O)cc1 1657853091 NHKMIZSTKLUNKV-IRLDBZIGSA-N 430.342 4.756 30 10 IJEE CC(C)c1ccc(CC2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)cc1 1658125092 CZSISZNNDBTUMC-UHFFFAOYSA-N 441.579 4.761 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl 1661537636 GJHRQFRUTHPRPF-OAQYLSRUSA-N 448.878 4.566 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)Cc1cccc(F)c1Br)c1ccc(F)c(F)c1 1663462830 CXQVBKJZRTXZAU-QGZVFWFLSA-N 434.277 4.603 30 10 IJEE CC1(C)CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 1669880548 CPGBSLAIAXPVRQ-KRWDZBQOSA-N 449.477 4.615 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N(CCOC)Cc2ccc(F)c(Cl)c2)cc1C#N 1670126047 HZWNSLUTOJLUNM-UHFFFAOYSA-N 448.882 4.600 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCc1noc(-c2cccc(Br)c2)n1 1674031583 XDWUWAIMFYJMOK-UHFFFAOYSA-N 445.292 4.536 30 10 IJEE C#CC[C@H](NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)c1ccccc1 1680514946 GYOZCZLBHZPPRA-FQEVSTJZSA-N 439.353 4.792 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1681783538 MFOFAYYCWZWXAY-SYNHAJSKSA-N 437.531 4.774 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](SC)C(C)(C)C 1689838258 WOVSYAJPQHRIPU-YOEHRIQHSA-N 435.435 4.943 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1Cc2ccc(Br)cc2C1 1689887168 RDFKOJGUUMBVHM-UHFFFAOYSA-N 436.357 4.735 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(C)(C)C 1689888318 GNOLMRIEQHDAMV-LJQANCHMSA-N 431.625 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOC(F)(F)F 1690038069 BLGVSQZNROQETO-UHFFFAOYSA-N 445.272 4.641 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCn1ccnc1C 1690065202 OYKWFIABFQLJRQ-UHFFFAOYSA-N 448.571 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1690242864 DMMUYRMDHOTPNZ-LEDOBFOHSA-N 433.556 4.533 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@](C)(O)c1ccsc1 1690271515 RWTQRTGIPHRYKF-DEOSSOPVSA-N 440.613 4.846 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(OC3CCCC3)cc2)CC1 1690363841 CEVXPYXAMQQQTP-HXUWFJFHSA-N 440.588 4.528 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)c2ccccc2)CC1 1690365968 MEXZNSQPGQKSFX-UHFFFAOYSA-N 448.315 4.984 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1690397220 YHODKWSKARMHCN-SFHVURJKSA-N 426.605 4.874 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSCC1)c1ccccc1 1690442409 RUEHVJVQTBYGRE-IBGZPJMESA-N 425.989 4.907 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690453867 LVKSRONLTQPMQP-UXHICEINSA-N 433.604 4.610 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCN(CC)C1 1690515906 WTAMBUIBATYCFW-RTBURBONSA-N 432.012 4.652 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)c1nccs1 1690520099 JNWBTWAJXVTDSS-CYBMUJFWSA-N 448.390 4.599 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCCOC(F)(F)F)C1CC1 1690538953 SVJIZFOQCPULBC-UHFFFAOYSA-N 445.283 4.789 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2C[C@H]2C)C1 1690712028 LZRFWMNXAFBIPM-BFYDXBDKSA-N 437.371 4.601 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1690749373 ASDWHQRJSXQOQT-LJQANCHMSA-N 436.984 4.520 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@H]1CCCCO1 1696782647 GWFOAZCDOHPROT-OAQYLSRUSA-N 435.597 4.906 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2ccsc2)nnc1[C@]1(OC(C)C)CCOC1 1705521421 BHEQIXDGRLXGNR-REWPJTCUSA-N 428.602 4.525 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)S[C@H](C)C1 1705526138 FWTRQFRRPZTLOY-OKILXGFUSA-N 437.382 4.590 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705538431 OOWIBWFPKHLHMP-UHFFFAOYSA-N 449.643 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(OC(F)(F)F)cc1 1705676465 CBZYSQWICOLXAO-JOCHJYFZSA-N 432.490 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1OCC[C@H]1C 1705677362 LQTHDYJHMJCVDY-ROSOWXQZSA-N 436.600 4.706 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705685822 JUYQXOAHXOKIJL-UHFFFAOYSA-N 447.425 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(CCC)Cc1ccc(F)cc1C 1705699427 GUUASYBTBBQFFL-GIWBLDEGSA-N 442.579 4.627 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(CCc1cccc(F)c1)C1CC1 1705703086 QJYQOBPVOQSMDN-HYBUGGRVSA-N 426.580 4.808 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC1CC(F)C1 1705710645 ZCHAEFASIQUCIY-UZSNPODYSA-N 442.579 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705718824 ZJLOWHBHUQXUQH-LJQANCHMSA-N 445.583 4.714 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCN2CCC)CC1 1705763331 SVYVPCVCJLWJLY-SFTDATJTSA-N 441.595 4.978 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705791111 OFEHEPCGJYFVTK-GMAHTHKFSA-N 437.632 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(F)c1 1705794068 UPOIDOCWRBSNCN-UHFFFAOYSA-N 432.547 4.894 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705813352 DVLGHEACZKVPAE-KRWDZBQOSA-N 433.959 4.589 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CC1(COC)CCOCC1 1705868619 VDINGPCPINUERV-UHFFFAOYSA-N 432.634 4.564 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)nc1 1705877861 FTGKVVVHYJPRIW-UHFFFAOYSA-N 444.970 4.596 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1705893638 CSPGHKSAAWMEQA-KSZLIROESA-N 435.638 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN(C)C1CCCC1 1722299289 OBTZTMANHNQBPL-NRFANRHFSA-N 437.632 4.621 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2C[C@@H]2C)CC1 1722575691 RWHYCSINTRGKFB-YOEHRIQHSA-N 431.378 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722588429 SKKWUSKSXIIADP-UHFFFAOYSA-N 436.526 4.841 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722613109 STQSMYGYDWDFCJ-UHFFFAOYSA-N 431.968 4.622 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1722625494 SGDRCESPEWFEEC-UHFFFAOYSA-N 438.494 4.715 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccc(Br)s1)C1CC1 1722649996 JGCWKNJTYPKLNG-UHFFFAOYSA-N 444.402 4.870 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC1(SC)CC1 1722656306 YRSXKJRRWMUEJC-UHFFFAOYSA-N 430.581 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1CCC(OC)CC1 1722657119 RMORCDPVWDYPRK-VZYOYLOZSA-N 449.599 4.789 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1ccc(F)cn1 1722661828 BBYJDUGWLWALAB-UHFFFAOYSA-N 425.558 4.767 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1c(C)cc(C)cc1C 1722662520 IMPTYNFPQIWNSN-UHFFFAOYSA-N 432.597 4.906 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)C[C@H](c2ccsc2)O1 1726666215 HSMZAPWTKOKFET-HNAYVOBHSA-N 443.523 4.890 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nccs1 1728465422 CECCQPYLXSHEAE-KRWDZBQOSA-N 436.585 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCc2ccccc21 1740536646 KJBLCROATLLPRF-DOTOQJQBSA-N 438.373 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCN1CCCC1 1740538055 JWEHNCFZQJPLRK-MRXNPFEDSA-N 428.005 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CCC1 1740555934 DLHAEFYOCIHYBS-AWEZNQCLSA-N 439.412 4.908 30 10 IJEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1740564864 AFTAFPNABIGZQW-UHFFFAOYSA-N 449.643 4.867 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](OCCC)CC1 1740584394 GHYIAXSPYXHWBX-WOJBJXKFSA-N 428.552 4.756 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1sc(C)nc1C 1740599460 BBOVMDWNBGVKBR-MRXNPFEDSA-N 444.004 4.879 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@](C)(CC)O1 1740664531 UFRUFPRMBMXGSN-KDLAUNOPSA-N 426.630 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCCN(C(C)C)C(C)C 1740729558 JJZAUQPJMFIPBJ-HHHXNRCGSA-N 444.627 4.994 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1OCCC1(C)C 1740730232 VHZISMADBMGYKQ-XMSQKQJNSA-N 443.389 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1740776877 FETXIJHNYQCMID-SBHAEUEKSA-N 429.634 4.677 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(CCOC)Cc1ccco1 1740778019 ASNJIDQAUCSBKD-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1740779339 BJKBRDUASUTBNH-UHFFFAOYSA-N 449.624 4.848 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccs2)N(C)C)CC1 1740839711 MDBPCLIBAIHEJT-NRFANRHFSA-N 439.604 4.775 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740870099 JIPPYUFVPGYAIH-SFHVURJKSA-N 432.515 4.644 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1c(C)cc(C)cc1C 1740905066 IKZHOPQFVWMCNY-NRFANRHFSA-N 439.604 4.946 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@H](C)C1)C1CC1 1740913562 PJZUPLJXMSRIFG-QZTJIDSGSA-N 430.980 4.871 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CCCC(F)(F)F 1740915485 IJCIDBKYCXMKEI-UHFFFAOYSA-N 431.462 4.884 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740919303 BDDVRIOWTCUYNT-SFHVURJKSA-N 445.583 4.894 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(F)F)c2)C1 1740983744 PBXLQMIOUCLDTG-IBGZPJMESA-N 430.524 4.698 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCS1 1743785277 ABJIGHQPGZVYED-DZFGPLHGSA-N 425.602 4.527 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1748863771 GTTPKLIRFWNPOQ-FQEVSTJZSA-N 449.599 4.844 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749203665 HULYDZSAEWMHJP-OAQYLSRUSA-N 447.583 4.918 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1749341213 BCYOGPUQQOJSKU-LJQANCHMSA-N 429.609 4.595 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C)(COC)CC2)cc1 1749685223 BPDHROHABGZAOH-UHFFFAOYSA-N 426.605 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(CCOC)CCCC1 1760123985 MPOPOPSUDOLNPD-GOSISDBHSA-N 430.980 4.565 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1760130141 DVQODENGTKVYDH-FQEVSTJZSA-N 444.526 4.603 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCN(CCC)C(=O)OC(C)(C)C 1760164697 YDJXUNUCJKYZET-NRFANRHFSA-N 439.604 4.537 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1Cc1nc(C(C)C)cs1 1760223194 OGCOOOYGZJUROM-UHFFFAOYSA-N 447.608 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)Cc1cc(C)cs1 1760319440 NFUSECWXWGSYLF-XMSQKQJNSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCc1ccccc1F 1760326813 ZZHDTACHZFCERV-OFNKIYASSA-N 440.588 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNC(=O)C(C)(C)C 1760330014 PWRBLGADHRMBMD-KRWDZBQOSA-N 448.011 4.636 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1760407169 WGBCYWHRNQNINV-UHFFFAOYSA-N 427.549 4.960 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2ccnn2C)CC1 1760429730 NMZXOBDGFPXYJB-UHFFFAOYSA-N 448.615 4.948 30 10 IJEE C=CCCCn1c(N(C)Cc2ccccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760445048 YYRQZQIXRQYZTE-KDURUIRLSA-N 443.567 4.791 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C)C2(CCC2)C1 1760453097 NUBKNBPZARGMLY-IBGZPJMESA-N 428.552 4.605 30 10 IJEE Cc1csc([C@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CC#N)n1 1762213643 AADIUXBDDBGJLP-NVXWUHKLSA-N 433.585 4.657 30 10 IJEE CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNc1ncc(Cl)cc1Cl 1764044743 HPPAIBTXIIOZSH-UHFFFAOYSA-N 444.370 4.867 30 10 IJEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)C[C@H]1C 1765515617 CCVUGJXOPWSMNR-QUCCMNQESA-N 442.558 4.563 30 10 IJEE Cc1ccc(C[C@@H]2SC(=NN=Cc3ccccc3OCc3ccccc3)NC2=O)cc1 1772741993 SDZJCFQJFHJYAR-QHCPKHFHSA-N 429.545 4.738 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)c2cccc(C#N)c2)cc1Cl 1858719118 BBEKGZFINGFLSR-HNNXBMFYSA-N 434.883 4.573 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861208696 OAJPIPLFLCDMOC-UPVQGACJSA-N 447.639 4.799 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861210487 XOMMLGMXHQKJMC-GGAORHGYSA-N 447.639 4.799 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862479102 YRSKGLLUJXNXDW-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc2cc[nH]c2c1 1862608394 MWNXRTJAUIXZHC-HSZRJFAPSA-N 446.503 4.708 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862616362 BLUCEYYKVCPCKV-JOCHJYFZSA-N 447.487 4.767 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)ccc1O 1862623412 SWCSMUJEZROKEN-JOCHJYFZSA-N 435.520 4.829 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccccc2F)cc1 1862662929 NNJWFRQBCKCAAQ-QFIPXVFZSA-N 425.500 4.690 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1862685350 VBAFOWMWLFIIGQ-JOCHJYFZSA-N 445.446 4.643 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862746069 YAEUAHMBBNKLAC-QVKFZJNVSA-N 438.480 4.760 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1 1862773085 VVHXRBBFXQDLON-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(F)c(F)c3)C2=O)c1 1862948316 MWNWVXQTSIOIOO-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)nc(-c2ccccc2)n1 1869209615 WNSMBMNKRQGBFQ-DEOSSOPVSA-N 443.570 4.954 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1CCCOC 1870485663 LDEHOVTUEKGSMS-UHFFFAOYSA-N 432.564 4.791 30 10 IJEE CCOc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccn2)C3=O)cc1OC 1871384192 SBXBVJOPFCFSCJ-SXZFCOTPSA-N 443.455 4.724 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871777033 QJEUOTADTWEIBS-NZQKXSOJSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCC)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1871897742 AQHBCOIQWBFZNO-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1 1872769987 FOBSGAVBERNNAP-HXUWFJFHSA-N 443.528 4.861 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2C(=O)OCCCC)=C(c2ccccc2Cl)C1=O 1873195115 NTYOXQVTJKNWCW-UHFFFAOYSA-N 438.911 4.675 30 10 IJEE C=CCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2c(Cl)cccc2Cl)C1=O 1873289623 WUWAOLFDJCRHRT-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(-c3cc(Br)ccc3OC)[nH]c2c1 1873504100 HQQUQNGKVWKBJK-UHFFFAOYSA-N 426.314 4.815 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(C(F)(F)F)cc1)n2Cc1ccco1 1873614813 DHNOVTZXCCCHFM-UHFFFAOYSA-N 441.413 4.942 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(O)c(OC)c1 1874327996 QXRBLFAQTZYDHU-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(F)c2)c1 1874483547 BAIOZHNSSXEGLQ-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CCCCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc(F)c2)cc1 1874498925 HCDUMWATJJAPHE-ZVHZXABRSA-N 428.533 4.917 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)ccc1O 1874512031 IJDOOMXLPBVGGU-WSDLNYQXSA-N 441.513 4.589 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OCc1ccccc1F 1874559823 QNMCHTDDRPTIIN-YSURURNPSA-N 440.422 4.585 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1 1874568076 GAPZIOZNSZYATI-YDZHTSKRSA-N 429.977 4.836 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccco2)c1 1874600347 HOPUSQOKOSHETO-CMDGGOBGSA-N 439.895 4.841 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1 1874618938 AOKYZVGGLGTZQE-GXDHUFHOSA-N 431.488 4.926 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)cc2)c1 1875146025 ZOWRUHSGBQDDCW-GXDHUFHOSA-N 432.472 4.974 30 10 IJEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)cc2)cc1Cl 1875185464 FHEZYJNWLOYXIU-QPJJXVBHSA-N 429.259 4.907 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCc3cccc(C)c3)ncnc21 1875230337 UTJOHQWCCMYAJI-UHFFFAOYSA-N 425.536 4.810 30 10 IJEE Cc1csc(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c1Br 1879735158 KPIRUJJYQIWYBF-SGTLLEGYSA-N 426.185 4.517 30 10 IJEE C#CC[C@H](C[C@H](NC)c1ccc(I)c(Br)c1)C1CC1 1887499578 JTQRNHJYVRXDRF-WBMJQRKESA-N 432.143 4.754 30 10 IJEE N#Cc1cncc(C2=CCN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)CC2)c1 1890053557 PHBBYWFJYKMKCZ-UHFFFAOYSA-N 436.231 4.664 30 10 IJEE N#Cc1cccnc1N1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CC1 1890904665 GCTXOSNGZGNQMP-UHFFFAOYSA-N 441.922 4.717 30 10 IJEE O=C(Cc1cc(F)ccc1C(F)(F)F)NCC#CCOc1cccc(C(F)(F)F)c1 1891024060 QWGQAPVXJDIRQE-UHFFFAOYSA-N 433.323 4.604 30 10 IJEE C[C@H](C(=O)N1CCC(Oc2ncccc2C#N)CC1)c1ccc(-c2ccccc2)c(F)c1 1891375171 PLMOCVWLCZVCAS-SFHVURJKSA-N 429.495 4.933 30 10 IJEE C=CCN(CC(=C)Br)c1ncc(C(F)(F)F)cc1I 1916315868 MVZJPEPAXHFPQI-UHFFFAOYSA-N 447.036 4.606 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NCCC 1922100831 ADFNTNBMCMWYNC-DHIUTWEWSA-N 432.605 4.544 30 10 IJEE C#Cc1ccc([C@]2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1 1951680488 BWFBVZRYSIHUKU-NDEPHWFRSA-N 437.495 4.645 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1978260652 KSQIRSRKMVAUDC-LIRRHRJNSA-N 435.487 4.715 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 2010550325 OQGWUDPERXTXMQ-UHFFFAOYSA-N 433.430 4.953 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2020332015 JRIOJBRMTQIWID-AQNXPRMDSA-N 437.625 4.615 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)c1O 2033814083 YMXKJMUQXNKPQT-HXUWFJFHSA-N 435.501 4.549 30 10 IJEE CN1CCN([C@H](C#N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071360248 XNIGTLAVYMZVHS-RUZDIDTESA-N 427.548 4.657 30 10 IJEE N#Cc1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1I 2079185825 CVDCGRQSHIEINE-UHFFFAOYSA-N 449.067 4.525 30 10 IJEE N#Cc1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(F)c(F)cc3Br)nc12 2081183557 XCEOUKUVBCVOBE-UHFFFAOYSA-N 437.553 4.981 30 10 IJEE CC[C@H](C)[C@H]1CSC(=Nc2cc(I)ccc2Br)N1 2081318711 GLCMQMHHWAQMTE-QPUJVOFHSA-N 439.160 4.792 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(F)c1F 2102884842 BHOSNLKGRMHQCB-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2cccc(OC)c2Br)C1 2142389536 VOZGXGOJDXQZQG-KRWDZBQOSA-N 425.367 4.722 30 10 IJEE Cc1cc(Br)sc1CN(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2157047383 KWQINYBHADIYCA-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)c(C#N)cc1F 2174813067 RLVPOLOJWWWNLC-CQSZACIVSA-N 440.357 4.933 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)C1 2174815261 RJRPMKPWYYYVFZ-CABCVRRESA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(C#N)cc2Br)CCCC1(C)C 2181105737 NYCGIKBESOJMAV-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1ccc(Br)cc1C#N)C1CCCC1 2181106011 QRLCZNZECPDZSB-INIZCTEOSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C)(C(=O)Nc2ccc(C#N)cc2Br)CC1(C)C 2199605779 KLCQZFPHVNNCKC-HXUWFJFHSA-N 436.350 4.685 30 10 IJEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2220069034 XIXPISDKUOTUHH-FCHUYYIVSA-N 441.446 4.863 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2F)OC1(C)C 2241474650 HZNIBCUPVZZPHK-UHFFFAOYSA-N 445.343 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2)C1 2254326068 YODADSWDVNRPGJ-YPHUNTSASA-N 448.568 4.853 30 10 IJEE C=C(COCc1ccccc1)[C@](CN(C)C(=O)OC(C)(C)C)(OCCC(=O)O)C(C)(C)C 2261829904 RSTPOGYRLDBOHX-VWLOTQADSA-N 449.588 4.903 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](N)C#Cc1ccc(Br)cc1 2278815769 KAFSPHGOIIZKSU-IAGOWNOFSA-N 441.435 4.553 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F 2296230455 UCGLCISZIQIQCW-JXFKEZNVSA-N 445.348 4.575 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCN1C(=O)OC(C)(C)C 2296271168 CTEQXGPZCJTXRR-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 2296279445 OWELTZBNOWMSDL-SFGWALBWSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2296285051 XXIITVDWWOAWCW-MOPGFXCFSA-N 435.406 4.672 30 10 IJEE CCCOc1cccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 2296567534 IONJKZFYHXXRPP-QFIPXVFZSA-N 432.476 4.707 30 10 IJEE CCCN[C@H](C#CC1CCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2300400218 QHKCXZDFLCGXRR-HSZRJFAPSA-N 426.601 4.612 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccccc1OC 2318582092 QZIGJZDVUGALAR-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE Cc1ccccc1COc1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1 2321968782 VHBJMYWVSWIYNT-UHFFFAOYSA-N 430.533 4.915 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(OC)c(C)c2)cccc1OC 2322416115 JJZFNCJGUCTLTI-UHFFFAOYSA-N 439.552 4.936 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)OCC(C)C)c2)cc1 2323154061 OYTYPFUNJZZQLD-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1OCCO 2323352689 BYKQBYYRQLOZCV-UHFFFAOYSA-N 433.460 4.928 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCCO)c(Br)c2)c1 2324391729 JCCWLEPGCUJIRP-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)C[C@H]2CNC(=O)OC(C)(C)C 2326078687 IPUNMMGKPKTADU-PMWKKSSLSA-N 442.600 4.993 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc(C(=O)OC)cc2)cc1Cl 2326780985 HTSPXKTYMKVPAH-UHFFFAOYSA-N 444.944 4.681 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(C)cc1 2329523390 SIXLWUKTOHSEOJ-UHFFFAOYSA-N 441.988 4.750 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2ccco2)c(C)c1 2330519465 QPFXIZKWMUPANC-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1ccc(F)cc1)Nc1ccc(F)cc1 2330651735 OVUXVWSDNPVZMH-UHFFFAOYSA-N 449.486 4.836 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 2330793244 ULJKLKZQYHWUJD-UHFFFAOYSA-N 448.431 4.512 30 10 IJEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2nc(O)c3ccccc3n2)cc1 2330863095 XPDBCUPZBRCROD-UHFFFAOYSA-N 446.580 4.998 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)cc1 2330992489 PVMGSGXLKLKFJV-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccn2)cc1 2331039546 ORDIMAHIKZCILZ-UHFFFAOYSA-N 434.569 4.506 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c1 2331123861 GCYOVZJYIODSCE-UHFFFAOYSA-N 440.422 4.628 30 10 IJEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339579191 RXUOGOYGJQUZEM-BUHFOSPRSA-N 445.413 4.713 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H](O)C#Cc2ccccc2Br)C1(C)C 2370076334 MHXHRXIAUDICML-JENIJYKNSA-N 436.390 4.881 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCC(=O)c3ccccc3)nn1[C@H]2c1ccccc1 20850094 ZEMYZMGQLNIPID-QFIPXVFZSA-N 444.560 4.911 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1cccc(Cl)c1 21079100 GBIXQWAPVFLZNL-GTVDRHQYSA-N 426.933 4.690 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1OC 39839088 XTICJZDTIJGVDQ-QHCPKHFHSA-N 443.455 4.705 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCC)c1 40080264 NXEWIERCXXXSBV-HSZRJFAPSA-N 435.520 4.947 30 10 IJEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2OC)C4)c1 41646833 XGWFPHPCDYWSKF-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE Cc1ccc(N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1Cl 59156572 XAPIRGXWUYMAQV-UFFVCSGVSA-N 428.836 4.713 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1cccc(F)c1 100263348 DFMPUMVIBPTJRU-VKWHMPGMSA-N 426.300 4.723 30 10 IJEE CCCOc1ccc(N2C(=O)C[C@H](S/C(=N/c3ccc(Cl)cc3)NCC)C2=O)cc1 105535888 OVLPYZCTEDADJJ-IBGZPJMESA-N 445.972 4.791 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2C)c1 170087688 BKRTZHNANULHTH-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)cc1 170102000 RPBQRJDUCUOLHU-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170117182 ITXQTRSRXVZLOG-HSZRJFAPSA-N 435.520 4.842 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccncc2)c1 170197871 PGQXLQOMENEPTE-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)c1 170198096 HANWBNPJOGMXGH-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)cc1 170204495 CYQRHZPGKJMVAH-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 170234406 GFVVLFOZTLKHGX-HSZRJFAPSA-N 429.447 4.539 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(F)cc1 170238986 ZYWPWTUDMBYCJB-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(CC)cc2)cc1C 170266060 POICFEJXBWCACE-ZJSXRUAMSA-N 449.547 4.713 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2nc3c(s2)C[C@H](C(=O)OCC)CC3)c1 170295089 VLHWOOSSWDACDZ-MRXNPFEDSA-N 427.570 4.901 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccccc2OC)c1 170333012 MWNODJCPIMKERK-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)c1 170431523 DTICLKOKKBAFCB-IBGZPJMESA-N 433.426 4.835 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 170457296 WFCOMFZCJRTYLY-QHCPKHFHSA-N 446.503 4.602 30 10 IJEE O=S(=O)(NN=Cc1ccccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1 254868816 VXFCRMQCLLXTCL-UHFFFAOYSA-N 435.332 4.885 30 10 IJEE C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 409868475 FAWJKOJKRZMCHS-KBPBESRZSA-N 425.337 4.949 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C 442243537 VRPJHVQUQUTWJA-HSZRJFAPSA-N 433.512 4.547 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC2(CCOCC2)CC1 460578094 SDWUHDDCBYWUII-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H]1c1ccc(I)cc1 460777286 ZMCBFNIZYCRTJJ-QGZVFWFLSA-N 434.325 4.678 30 10 IJEE C=C(C)Cn1c(SCc2nc(O)c3oc4ccccc4c3n2)nnc1-c1ccncc1 489436273 FDCWWUFDPXONNJ-UHFFFAOYSA-N 430.493 4.604 30 10 IJEE C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 508847275 KBPGLVWTEPYJKT-XZOQPEGZSA-N 444.579 4.963 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@H](c2nccs2)C1 508902590 KXARBERDEJFGIW-FQEVSTJZSA-N 439.585 4.590 30 10 IJEE C[C@H](Cc1ccccc1F)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 509329806 BEVNRAUTIAHBPH-QGZVFWFLSA-N 447.535 4.789 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)c(O)c2)cc1 526514232 DJHZESHINKSEQO-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1cccc([C@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccccc2C#N)c1 526606339 FFQZPNKPDVEGSW-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 527314354 NTHMPEYOQQTOQE-INIZCTEOSA-N 435.240 4.668 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 527314355 NTHMPEYOQQTOQE-MRXNPFEDSA-N 435.240 4.668 30 10 IJEE C[C@@H](N[C@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 540422144 BJBJMTOMJLRTKQ-ZIAGYGMSSA-N 427.545 4.714 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2)cc1 549148989 NRFGYBMNRJEOPV-FQEVSTJZSA-N 445.567 4.995 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC2(CCOCC2)C1 555259206 VBQOXIFINMDDJS-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 558985813 DWNLYGGRCQVSQF-UHFFFAOYSA-N 447.583 4.933 30 10 IJEE C=CCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 586210300 HLNIHLMMRVHLRR-UHFFFAOYSA-N 436.249 4.729 30 10 IJEE N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 610377227 BZGVAUXTZQALHI-IBGZPJMESA-N 443.425 4.709 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@@H](C(C)(C)C(=O)OC)C1 619830110 MLEUJKCLNTXHBU-GOSISDBHSA-N 430.618 4.507 30 10 IJEE C[C@@]1(Cn2c(-c3ccc4nc(O)oc4c3)csc2=Nc2ccccc2C#N)CCOC1 733075684 UOBLJRVPIRJSQH-QHCPKHFHSA-N 432.505 4.594 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@@H](C)c2ccc(C)cc2)C1=O 737413867 CLPFYBQTZHCNPA-BEFAXECRSA-N 429.973 4.520 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cc(C)c(F)cc2F)[n+]2cc(O)ccc2C)c1 748995668 MVHAHYBYWRYRNI-UHFFFAOYSA-O 437.491 4.879 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(Oc3ccc(F)cc3)CC2)c1=S 764991627 YKOUCTORPMLCPQ-UHFFFAOYSA-N 439.560 4.692 30 10 IJEE COC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(F)c(F)c1 773587691 BPGZRIAUKVYMAP-HXUWFJFHSA-N 427.476 4.752 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 776093459 OTZOFLCQECMNPE-UHFFFAOYSA-N 427.460 4.837 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccccc2C)n[nH]1)c1ccc2ccccc2c1 1084529067 WYEXUYVNCNEZDW-UHFFFAOYSA-N 430.537 4.833 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1124862595 GOGSSBVBOUPXNF-LJQANCHMSA-N 447.457 4.801 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1125571514 LWRFBXMDSYUXPU-UHFFFAOYSA-N 426.495 4.944 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(Cc3ccccc3)[C@@H](CCC)C2)cc1OC 1127442022 ZXMBBGKVLKPRQM-ANVLDHPDSA-N 434.580 4.786 30 10 IJEE Cc1cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(C)n1Cc1ccccc1 1139787917 FPGMPMNFUNBEPJ-VWLOTQADSA-N 446.982 4.829 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1160815845 HQFQOBNBNYALLZ-YADHBBJMSA-N 449.938 4.537 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1CCN(C2CCCCC2)C1=O 1188283126 VNBMINZVXFISOI-LJQANCHMSA-N 447.004 4.722 30 10 IJEE CC(C)[C@@H](NC(=O)CSc1ccc(Cl)cc1C#N)c1ccc2c(c1)OCCCO2 1188869470 DTFUAXKUBFNUIV-JOCHJYFZSA-N 430.957 4.979 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(N(C)Cc3cccs3)cc2)cc1 1203619211 VCJMAILPEZRKKG-UHFFFAOYSA-N 441.622 4.803 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)c1 1215119458 IMNUIFDHQLTQMW-UHFFFAOYSA-N 434.458 4.788 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H](CC(=O)OC)c1ccc(C(C)(C)C)cc1 1215510449 SGVLLWHEKOAVCL-LJQANCHMSA-N 426.488 4.561 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)c(F)c1 1220602931 FEIJNBJNLNVSEL-VXKWHMMOSA-N 449.929 4.608 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 1221032365 RHELZDNNIAYJNE-IFMALSPDSA-N 445.563 4.904 30 10 IJEE Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OCC(F)(F)F)c1 1230144006 IDFQSMZRABBQOO-WOJBJXKFSA-N 431.458 4.918 30 10 IJEE C=CCCSCCNC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1230744631 WBOZWHFRTROYRM-UHFFFAOYSA-N 445.579 4.691 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)C1 1252869779 NIKKKLADVZCRAB-VLCRHTCISA-N 445.579 4.916 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl)C(C)(C)C 1279621884 QWDLZMPZEXNZEL-UHFFFAOYSA-N 447.000 4.908 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCC 1286303798 DAHZUOYIVSJCTE-QUCCMNQESA-N 446.064 4.946 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN1C1CCCCC1 1286447370 QSEBJAQUWNUZQN-HSZRJFAPSA-N 440.035 4.779 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCCC=C 1286453944 CUBPZQFECROMJT-UHFFFAOYSA-N 442.336 4.781 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCN(C)C1CCCC1 1286457902 HEGBDJJYZIANCX-UHFFFAOYSA-N 425.596 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1cccc(COCC(F)(F)F)c1 1286518025 YEIRWCKEXJTCIC-JOCHJYFZSA-N 434.506 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC(C)C)nc1 1286583878 UFOCKYZSFHLGNM-IFMALSPDSA-N 441.620 4.830 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1286613266 WALDCOWVQPLTFD-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2ccco2)C1 1286620195 HCIMDCAVQRTVMV-GHTZIAJQSA-N 442.947 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccccc2)CC1 1286674450 QHZIHPYPAHWKFG-UHFFFAOYSA-N 444.627 4.579 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286731081 YSSSWNFYQCYLPE-HNNXBMFYSA-N 444.004 4.762 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccncc1Cl)C1CC1 1286731989 HTOHMPMONWKAQC-HNNXBMFYSA-N 427.911 4.809 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1286742988 XLECATIMUBMSPH-FGZHOGPDSA-N 446.643 4.978 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc2n1 1289217861 OHOUSFKRBYLODY-OAQYLSRUSA-N 445.350 4.541 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1)c1ccccc1 1295199445 SQSCZEDRHCNKIZ-XMMPIXPASA-N 432.545 4.599 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCOCC1)C1CCCC1 1295249528 BSLRBRDDTXSSBM-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE CO[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC#N)CC1)c1ccc(Cl)cc1 1299666080 FQCANAGHSVAXGM-NRFANRHFSA-N 436.947 4.511 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ncc(C)s2)CC1 1300347575 BJCJPXIVWULRRZ-UHFFFAOYSA-N 441.004 4.946 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1csc(CC)n1 1300601020 CWZOHLWCIOSLFP-MRXNPFEDSA-N 444.004 4.793 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1CCCCO1 1300816594 PTKGYMICEYRWLG-GBXCKJPGSA-N 442.991 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1snnc1C 1300899319 DFBIRPNYFBETSU-GOSISDBHSA-N 426.590 4.646 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H]1C 1300979554 CIZWSCDOQCPWKJ-ZIAGYGMSSA-N 425.396 4.597 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)C1CC1 1301320406 CGNGFXWPSJRXPP-KDURUIRLSA-N 443.039 4.906 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1Cc1cccs1)C1CC1 1301331883 XXRIUIFPOHAOQP-UHFFFAOYSA-N 445.386 4.884 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[S@@](=O)C(C)(C)C 1301380072 YZCQOIZDCKSSFZ-MUUNZHRXSA-N 441.428 4.978 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)SC 1305508480 HGBOPJVYGOAJNM-LJQANCHMSA-N 440.661 4.517 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCSc1c(C)[nH]c2ccccc12 1305934863 PLVKYEZKSXUATI-QGZVFWFLSA-N 437.993 4.721 30 10 IJEE C#C[C@H](NCc1nc(Br)c(Br)n1CC)c1ccc(Cl)cc1F 1308757086 AYFDGIHECYPPRL-LBPRGKRZSA-N 449.549 4.685 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 1310187939 BTUNQSJQBCBEIM-UKILVPOCSA-N 440.547 4.747 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccc(F)cc1 1312933661 CZYUFIPVFZWMFM-LEWJYISDSA-N 443.563 4.759 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CCc2nccs2)c1 1316528233 AOVBOCMORMAZHL-UHFFFAOYSA-N 446.502 4.685 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 1349819586 NLGOCQJGPAQFOR-HXUWFJFHSA-N 440.544 4.766 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c(C(=O)OCC)c1C 1355007277 CRUJXRAHQHRNRT-XOKHGSTOSA-N 427.522 4.564 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCN1C(=O)OC(C)(C)C 1355632455 PHHSRPLKTNAFER-AREMUKBSSA-N 431.536 4.766 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 1358086244 XRUWILCPJRNONC-UHFFFAOYSA-N 437.974 4.938 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSC(F)(F)F 1358878099 QEKGTOUNTFSMGN-OLZOCXBDSA-N 428.549 4.842 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CC1(CCOC)CCCCC1 1358988069 BGVXXBOWORHBEZ-UHFFFAOYSA-N 432.612 4.957 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(C)CCO[C@H]1C1CC1 1359004397 VBXNSPDLFCHSRS-UGKGYDQZSA-N 433.383 4.917 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC(F)(F)Br 1359014592 OQOBNPFEWCUGCK-UHFFFAOYSA-N 449.752 4.671 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCC)CC1 1359019716 FAPSXJFCJCSFTD-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H]1CCCOC1 1359095196 LISXPAZRRCMYNQ-WWMYMODYSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1359100891 HSLOUXODYMBMHF-RFWXGWTQSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C(C)C)N1CCCC1 1359115414 XYSWHKVFCAVDCB-XMMPIXPASA-N 434.632 4.873 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](CC)N2CCCC2)CC1 1359169050 RWCJECJMKAWCTG-NRFANRHFSA-N 425.646 4.910 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1359174076 WBROZKSBJKQTPZ-URXFXBBRSA-N 437.632 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(F)c(F)c1 1359190832 DYIYEDGLTJUTFL-UHFFFAOYSA-N 428.531 4.657 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)C2CC2)CC1)c1ccccc1 1359194415 VBUKDVMIBDJBKR-NFBKMPQASA-N 435.616 4.600 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359211810 PHGQDJJBBYMMPW-PGRDOPGGSA-N 428.577 4.568 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccnc(SC)c1)C1CC1 1359246706 JAZXJXXSTHCSCE-INIZCTEOSA-N 439.560 4.877 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@@H]1C[C@H]1C 1359262066 GIKSOEMFDATVRF-CRAIPNDOSA-N 440.569 4.806 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CC(C)(C)c1ccc2c(c1)OCCO2 1359263446 BLRHJEDJPCFMIJ-UHFFFAOYSA-N 438.597 4.844 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)OC(C)(C)C 1359268607 WGSXQPRCJJJIJO-UHFFFAOYSA-N 439.604 4.946 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359336890 FDMDCOOJEVRMBU-YPAWHYETSA-N 426.630 4.745 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(COc2ccccc2)CC1 1359342087 OTIYJFKOMKKNKV-QFIPXVFZSA-N 442.629 4.734 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 1359346337 IYVRGULJKCJQTD-SFHVURJKSA-N 449.665 4.896 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1C#N 1360037053 XVEQJRIOPYOVGJ-UHFFFAOYSA-N 438.456 4.658 30 10 IJEE C#CC[C@@]1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1361026677 JHNIIIPOCFJLNC-YWEHKCAJSA-N 446.591 4.922 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)s1 1437606252 SSMWXEYZJJGRKZ-UHFFFAOYSA-N 449.960 4.767 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Nc2ccccc2Cl)CC1 1442975023 JJSDWNBKDYISJU-SFHVURJKSA-N 442.387 4.779 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2 1450461714 BQPIQHBLAFQBSI-QGZVFWFLSA-N 435.524 4.505 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 1464914058 GGPXQBIZYNECHJ-AZUAARDMSA-N 426.561 4.784 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)c1ccccn1)c1ccc2c(c1)OCCO2 1464961673 YBAXGZYIWLKRSD-IBGZPJMESA-N 430.504 4.755 30 10 IJEE C#CCN(C(=O)N[C@H](CC)c1cccc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1467597867 CAFKGSCERZOJBM-HXUWFJFHSA-N 433.980 4.835 30 10 IJEE CC(C)(CNC(=O)NCc1ccc(C#N)c(F)c1)Sc1ccc(Br)cc1 1469023136 AKOBYNDTVBCAOR-UHFFFAOYSA-N 436.350 4.830 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1469518524 FHPKGWODJOAWDZ-QGZVFWFLSA-N 434.337 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 1472495181 WAUQKJJZKNTYPV-UHFFFAOYSA-N 441.506 4.990 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2ccc(Br)cc2)CC1)c1ccccc1 1478257576 NEWROWDROGRVMO-NRFANRHFSA-N 428.374 4.988 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C 1478806563 HPQNEYFADWCSOX-BPYKYCOYSA-N 427.589 4.653 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(C)CCCS1 1507544123 YSNCLCYNZNJIQV-FDDCHVKYSA-N 447.048 4.995 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1507559036 ZMPJSGQQUZRIQS-SLFFLAALSA-N 442.991 4.738 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1 1507779284 MWOSRVMBQUSJEB-SIKLNZKXSA-N 445.405 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(F)F)C1 1507803703 COVIXOUJKHQRIJ-DXIQSLLYSA-N 446.542 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1507913030 TXEPWVPEHIHFTC-YADHBBJMSA-N 438.664 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1507914321 HOAKFYWIRULZDE-KRWDZBQOSA-N 430.618 4.749 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(c2cnn(C)c2)CC1 1507940766 BCKXHJWBMHOYAO-UHFFFAOYSA-N 448.615 4.948 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1507941659 IDMXVYJOROUHJG-FYYLOGMGSA-N 432.616 4.874 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C)nc1 1508015445 WKHGTVQLQBYUPE-UHFFFAOYSA-N 442.336 4.777 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1508065451 BEEZQZGJNPRXGZ-OAQYLSRUSA-N 438.597 4.907 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(N2CCCCC2)c1 1508416203 FMBQWUBEZRNEMF-GOSISDBHSA-N 449.990 4.628 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)C1 1512002656 HTKJGRHSRSQTOG-OYRHEFFESA-N 434.632 4.811 30 10 IJEE CC[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCCCC1 1512852287 AIDKKKRLMXBDQN-NRFANRHFSA-N 432.616 4.833 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 1515902675 QKRGJEAGIXKIAK-UHFFFAOYSA-N 433.744 4.706 30 10 IJEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)(C)C 1517863268 HBSXKAWXBGPOOL-NQIIRXRSSA-N 439.604 4.662 30 10 IJEE C=CCN(C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1522165093 GJGBUNBKWFOGGU-WOJBJXKFSA-N 437.433 4.905 30 10 IJEE C=CCc1cc(CNC(=O)Cc2c(C)cc(C)c(Br)c2C)cc(OC)c1OC 1527042675 NCCVZECHSUCPSW-UHFFFAOYSA-N 446.385 4.979 30 10 IJEE C#CCCOc1ccc(C(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)cc1 1534740602 QFXSQXCJCPBGIY-HDICACEKSA-N 430.470 4.847 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCc3cc(Br)ccc3C2)o1 1537013082 FLVISNNEXITFBS-UHFFFAOYSA-N 437.293 4.691 30 10 IJEE C#CCSc1ccc(COC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 1537410584 FTNSNEKDXXDDQK-UHFFFAOYSA-N 443.524 4.685 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1OC 1537496831 ABMZBGFDTMGGCZ-LCYFTJDESA-N 448.485 4.930 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)CN(C)C 1539346885 MJQHDFUNLFXJHE-UHFFFAOYSA-N 430.021 4.861 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1scnc1C 1539497943 PDDSAJCPMMIZPK-IBGZPJMESA-N 425.627 4.588 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(=C)CC1 1539580307 WNLPSENYSSOQGY-QGZVFWFLSA-N 447.377 4.882 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 1539683818 BOJNFXVWEJYFAX-UHFFFAOYSA-N 438.574 4.974 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1539736071 SBFOLWKEBBBQLT-LEWJYISDSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@](C)(OC)CC1 1539921260 TVKOZEFHZHLCCI-BWKNWUBXSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1539971825 UXJAJCCBOQPUKZ-XMMPIXPASA-N 426.630 4.762 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccccc3Cl)c2)CC1 1540465070 CZVNEQALXFHHCQ-UHFFFAOYSA-N 434.945 4.834 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](Oc2ccccn2)C1 1540912196 PNYGKFHCTSZUKC-KRWDZBQOSA-N 441.988 4.570 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1541118697 FWWOCYSDQZFCNX-OAHLLOKOSA-N 448.518 4.573 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1 1559514061 PZBDZKSQAIXAIA-OAQYLSRUSA-N 426.532 4.578 30 10 IJEE C=C(C)[C@@H](NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccc(F)c(F)c1 1559767298 WUDVXZHKAAABSW-GHTZIAJQSA-N 436.543 4.978 30 10 IJEE C=CCOc1c(Br)cc(CN[C@]2(CO)CCCc3ccccc32)cc1OCC 1560449856 IAHSPADQKOFGAM-QHCPKHFHSA-N 446.385 4.726 30 10 IJEE Cc1cc(C)cc(Oc2cccc(F)c2NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1563035447 AIYDVWMYQJMBPG-UHFFFAOYSA-N 445.498 4.856 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)C(C)C 1563453558 KMTFFXAKDMQMJR-FQEVSTJZSA-N 439.431 4.524 30 10 IJEE C=C[C@H](CO)NC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C 1585422039 VPGRGGCISNKAMS-GOSISDBHSA-N 442.515 4.633 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(NC(=O)C4CCCCC4)c3)n[nH]2)c1C 1587741762 XFNHYHMCKRKKDX-UHFFFAOYSA-N 446.555 4.847 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@@H]1CC 1587758504 AWFZEGJMVGQDOD-NJYVYQBISA-N 443.636 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H]1CCO[C@@H](C)C1 1588284638 XKHDVINUKVCCMM-OALUTQOASA-N 426.630 4.940 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1589316891 IGUGYOBQQDFCST-QGZVFWFLSA-N 448.315 4.597 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCn2ccnc21 1595178318 IZGOAEHYAGRJQE-RTBURBONSA-N 436.535 4.510 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1CC(C)(C)C1 1595239979 YZCVGVGWERJXEN-UHFFFAOYSA-N 432.616 4.811 30 10 IJEE C=C[C@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1595938778 WSPCMALOGQGHKO-BVZFJXPGSA-N 426.516 4.957 30 10 IJEE CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1626676859 IBGGCWTWMAUMDF-WOJBJXKFSA-N 432.351 4.560 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccccc2Oc2ccccn2)CC1 1627800867 BWVYVWWHRGWAJH-UHFFFAOYSA-N 429.480 4.652 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1OCCCC(C)C 1630131013 QVBUNEVXPUZUAE-OAQYLSRUSA-N 430.589 4.733 30 10 IJEE CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@H](C#N)C2)cc1OCCC 1634196767 GPMFCEZXOKSPPP-LJQANCHMSA-N 434.536 4.871 30 10 IJEE C#CCC[C@@H](O)CNC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1 1635011369 FJKUPXQZFAHBAR-PCCDRTMGSA-N 431.557 4.758 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 1636892847 WHLBVIJPOVMSOF-AZUAARDMSA-N 440.506 4.799 30 10 IJEE CN(C)C(=O)NCCc1ccc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 1643290651 IEAQUNYSSCKRPU-UHFFFAOYSA-N 444.560 4.775 30 10 IJEE C=CCn1c(SCc2csc(Cc3ccccn3)n2)nc2cc(Cl)ccc2c1=O 1643356571 BQBSEQKIUVSDKN-UHFFFAOYSA-N 440.981 4.971 30 10 IJEE C#CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CCCc2ccccc21 1644647106 IWPPWUWDQZTWLZ-NRFANRHFSA-N 436.353 4.936 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cnc(C)s1 1649539095 JJEQGQXDZCJZGD-AWEZNQCLSA-N 434.594 4.648 30 10 IJEE CO[C@H](c1ccc(Br)cc1)[C@@H](C)Nc1ncc(Br)cc1C#N 1650915438 DNKWUWPATVFEDP-BMIGLBTASA-N 425.124 4.666 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2ccc(Br)c(F)c2C1 1654823148 MSAJLZFQJKLNDX-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE C#CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)[C@@H]1CCCc2ccccc21 1655692559 NPXFDXSEDZRILB-HXUWFJFHSA-N 445.346 4.731 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 1658444300 NBUICKFFVFXQRF-BXWFABGCSA-N 442.357 4.559 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)[C@@H](OC3CCOCC3)c3ccccc3)cc2n1 1664850743 XWOPMFHQWFXQFL-HOYKHHGWSA-N 434.540 4.669 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 1667015090 FEONCUQJVDLGIF-ZJMJOCHXSA-N 438.597 4.789 30 10 IJEE CC(C)[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)OC(C)(C)C 1668146398 GVUKWMFXBYLNNY-NRFANRHFSA-N 441.503 4.764 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3cccc(NC(=O)c4ccc(F)cc4)c3)cc2n1 1673215503 FDBXKRXITGXDAV-UHFFFAOYSA-N 443.482 4.935 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](CCO)c3ccccc3F)c2)cc1 1673452975 DVAKEVXLSSGFMC-DEOSSOPVSA-N 433.483 4.716 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)C(C)C 1675964414 PJPBAUYKLUBXRO-NRFANRHFSA-N 439.431 4.524 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 1679222691 DTZDMRYKTIRYTG-UHFFFAOYSA-N 425.529 4.640 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)n1 1680180579 UTSCMHUQXUMETF-KRWDZBQOSA-N 446.395 4.760 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1681608565 BKCMWOXNXRSZTE-UHFFFAOYSA-N 435.568 4.878 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](CCc3ccccc3)c3ccccc3)CC2)c(F)c1 1682781077 BOLKFGITFMXADX-RUZDIDTESA-N 442.538 4.903 30 10 IJEE C#Cc1cccc(CNC(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)c1 1683157041 RMBPDIOIAKWXEU-ZBLYBZFDSA-N 442.559 4.553 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(F)c(F)c1 1686173342 GKNGXGQRLKVZBI-UNMCSNQZSA-N 428.479 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(C)(C)c1ccccn1 1689842401 ZSXREELSBKKEOT-IBGZPJMESA-N 447.583 4.573 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=C)Br 1689863625 XTLLRSRDQXYYIW-GFCCVEGCSA-N 444.160 4.530 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1689885295 CZJNPYAISKXQGQ-IBGZPJMESA-N 444.352 4.986 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1689938743 VCFHWIWVWXEEMQ-HSZRJFAPSA-N 430.980 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OC)CCCCC1 1690006242 LJRUXTZSQZMUDC-LJQANCHMSA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1690058738 AAWUGENJRGOZHA-LJQANCHMSA-N 433.531 4.534 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@@H](SC)C1 1690165913 NLTLDJBXKDALAX-LJQANCHMSA-N 437.638 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC1 1690252211 BDQUZDSXDJXGRX-QRWLVFNGSA-N 437.371 4.745 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1690289751 QBKOGCFKNFYVFD-QGZVFWFLSA-N 432.952 4.877 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cccs1 1690304804 OHCKVYBVUMMZPK-IBGZPJMESA-N 439.541 4.849 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1690305037 VFAOTZZMPKFCIG-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2oc(CC)nc2C)CC1 1690367238 HCIDMNRFCQNEIJ-UHFFFAOYSA-N 442.361 4.771 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)c1ccccc1 1690445428 XNRVGJCJFIREKR-QPPBQGQZSA-N 449.643 4.894 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@](C)(CC)C1 1690451279 BYPYANPYXGBPAK-DEOSSOPVSA-N 425.577 4.509 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690451475 HOOOCGWARCOGDP-SESVDKBCSA-N 440.544 4.505 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1690462881 QPTLIVMIASNEIA-URXFXBBRSA-N 445.007 4.713 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(SC)CCN(C)CC1)C1CC1 1690537373 NUMPQABKHYGUCT-JOCHJYFZSA-N 439.673 4.802 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@H](C)N1CCC(C)CC1 1690556170 OOHFGCXDUGYIIU-NRFANRHFSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1c(CC)noc1C 1690577485 IAAIPWPMJYASPR-HXUWFJFHSA-N 427.574 4.681 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](c1ccco1)N(C)C 1705608536 VSIZAVBGOKRDEW-GOSISDBHSA-N 432.355 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CCOC(C)(C)C 1705671122 WTQMVLSHZKLXAC-AREMUKBSSA-N 448.567 4.924 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)c1cccs1 1705673909 RJGDAAQKIBUWOT-FGZHOGPDSA-N 426.973 4.560 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705683756 CJIIFYRABHBHAX-KRWDZBQOSA-N 447.333 4.534 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@]2(CC=CCC2)C1 1705732226 RTXRYSPGHKWCQJ-XMMPIXPASA-N 437.544 4.773 30 10 IJEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1705808566 RDZZYLPUMWFYSZ-UHFFFAOYSA-N 435.616 4.623 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1cccc(F)c1 1705866383 OPDKOZRFKUCEAX-IBGZPJMESA-N 426.561 4.808 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(C)c1C 1705887185 RZPJLCQWJKCBEX-QGZVFWFLSA-N 428.968 4.553 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705890257 GVSNLCJOAUEDHM-HSALFYBXSA-N 429.609 4.595 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](OCC3CC3)C2)cc1 1705911807 QQAWGOQDFRSALZ-HSZRJFAPSA-N 438.616 4.875 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(F)F)C1 1705913655 UOJNLVBICLOUBK-AZUAARDMSA-N 432.515 4.614 30 10 IJEE CC(C)(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)C1 1706122469 AELLTGMAPQDJPL-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE Cc1noc([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(C)(C)C)C2)n1 1707940943 DLJMBQFTLDENKF-FQEVSTJZSA-N 433.560 4.719 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(OC)C1CC1 1710133050 GPBPFKDQIAMPBO-XMMPIXPASA-N 435.597 4.762 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722337237 XZOPIVZHXYWISP-QHCPKHFHSA-N 437.607 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@H](C)C1 1722388651 GVSHRTTXHWSVAK-WOJBJXKFSA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1cccs1)N(C)C 1722406267 WVCQDCBNWDBPKL-JOCHJYFZSA-N 444.608 4.626 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)CCCO1 1722474286 BALALMGWJSJGDY-YADHBBJMSA-N 431.005 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCC(F)(F)CC1 1722501950 QMONJIMCHSZBJR-NRFANRHFSA-N 426.552 4.547 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC(C)C)C(C)C 1722510824 VNNIWOUKVYZPDW-WZONZLPQSA-N 432.559 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1c(C)nn(Cc2ccccc2)c1C 1722513398 XFMSUZMFTYYTCT-UHFFFAOYSA-N 443.599 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1722562293 STZUIYYRTXTFLO-WOJBJXKFSA-N 425.596 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCCCC2)C1 1722589218 FCGIURPYMJSVIF-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC1(COC)CCC1 1722634908 JBGVSRCBGRLQMI-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722655361 DAMZUIDIJUAALP-KDYSTLNUSA-N 446.643 4.805 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1ncc(C)s1 1722675940 VFTOOUIOUCXWNE-WIYYLYMNSA-N 437.613 4.933 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccsc2)C1 1722723399 YFSSUPKUYBTPRA-LJQANCHMSA-N 426.611 4.770 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCSC1 1740538002 BWEDVFFLSNMCEG-OLZOCXBDSA-N 439.810 4.572 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(CCC(C)C)CC1 1740541524 AWDHYTUVUPZAFD-GOSISDBHSA-N 446.014 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCCN1CCCC[C@@H]1C 1740648904 LSGZBLYDFXGDDD-ZCYQVOJMSA-N 431.628 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)CN1CCCC1 1740649850 FQWIFAHFQWJHBA-UHFFFAOYSA-N 445.655 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCSc1nccs1 1740727985 HZBFURQGEXCVJO-JOCHJYFZSA-N 439.610 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1740757735 XGIREHKLRXUPAV-KPDCDPCYSA-N 425.964 4.710 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(F)c1 1740786113 QHBLJGVNKOZLML-IBGZPJMESA-N 429.540 4.702 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nnc1C(C)(C)C 1740799766 VOHFEYUPJQCDOS-GOSISDBHSA-N 443.661 4.888 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)CN2CCCC2)CC1 1740818502 LDEZRGLLGJQZPU-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1740837032 FIJFYUNUFDQLLB-UHFFFAOYSA-N 443.473 4.840 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cscn1 1740880132 TYQGIOHDQJSQFF-UHFFFAOYSA-N 448.390 4.679 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1741003834 GOIWFLRQYQVSTJ-NQIIRXRSSA-N 440.638 4.816 30 10 IJEE CC(C)(C)CCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1741202975 DFTHPKAKLRHXEL-UHFFFAOYSA-N 436.648 4.887 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](COC)C2)CCCC1 1744312860 IBTMAPRYTCZMOC-NRFANRHFSA-N 437.588 4.562 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)Cc1cnn(C)c1 1748702467 IYFWICKRHHWFRK-UHFFFAOYSA-N 431.371 4.815 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@H](CC)C1 1748703773 ZKUOGPJNWHIBRW-NVXWUHKLSA-N 449.368 4.654 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(C)(F)F 1748834357 KMNRGUAXQDHNRB-UHFFFAOYSA-N 428.483 4.931 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1748889464 KVXLGORLPHAQQA-PMACEKPBSA-N 425.458 4.573 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC(C)C)C(C)C 1749136753 RJDHTACDAPLLIA-ZJSXRUAMSA-N 437.588 4.581 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1749286784 RDWKBRFMEWFNTP-TZIWHRDSSA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@]2(C)CCCO2)CC1 1749296132 JGJSUOGWZURFGF-VWLOTQADSA-N 440.588 4.858 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1749311861 ZFPGHNARPJCTNS-FQEVSTJZSA-N 432.037 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC=C(C(C)(C)C)CC1 1749363363 BNBNQOPBZDIVKL-UHFFFAOYSA-N 425.577 4.791 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCOCCCC 1749473260 CKKBVYHYARJYMI-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=CCn1c(CC(C)(C)C)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1749630488 RZEKTPRFJBYBNO-UHFFFAOYSA-N 425.577 4.962 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(COC)CCC1 1760100216 SJNNSXLFKXDGJE-QGZVFWFLSA-N 435.597 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1760104981 KJQXHWCRYCEWON-FNZWTVRRSA-N 438.616 4.769 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1760106373 BRKCGUMOEREBHA-NJYVYQBISA-N 444.627 4.708 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC2(CC)CCCC2)c1 1760128577 MKNVLEFGUGFPEB-JOCHJYFZSA-N 449.599 4.546 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(Cc1ccccc1)Cc1ccco1 1760155553 BEFPNOPKQLYDMP-UHFFFAOYSA-N 431.565 4.847 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccccc21 1760276315 ZFGUKHWQRGASEQ-UHFFFAOYSA-N 445.411 4.830 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC(C)CC1 1760339681 RFKMBKHAERSSJG-UHFFFAOYSA-N 434.632 4.806 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1760354377 YLRMCRWSAQCHFX-CTNGQTDRSA-N 440.588 4.572 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 1760420718 UUORUVJBYKBXMP-GGAORHGYSA-N 437.632 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCSC1 1760485985 YSPFCONANCVGMN-QHCPKHFHSA-N 440.638 4.630 30 10 IJEE C=CCOc1ccc(Cn2c(C)nnc2N(C)Cc2csc(Br)c2)cc1 1760529930 JLTZHGYHKVXEBD-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C#N)c1 1761371477 DDOHVKLMOKHONI-IBGZPJMESA-N 442.592 4.712 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C1 1764331790 BZMPMMSCJNCYQB-URXFXBBRSA-N 434.613 4.808 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OC)c(OC)c1 1862437521 SPQAIQQADFYXLB-RNODOKPDSA-N 429.900 4.734 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC)cc1OCC 1862437968 CSQSVKWMSRDIAS-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Br)c1 1862438642 CUZUZRDSMPDXAM-QGZVFWFLSA-N 432.701 4.867 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2)cc1O 1862492087 IRMRKUWDFXQYKR-XMMPIXPASA-N 443.499 4.796 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 1862682586 PYCLYGXHZFCOQH-QFIPXVFZSA-N 437.467 4.508 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 1862715196 LFHGJMYZSXUXSY-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE C=CCN1C(=O)C(Nc2cccc3c(O)cccc23)=C(c2ccc(OC(C)C)cc2)C1=O 1863355266 RGNFODRXOWSGAF-UHFFFAOYSA-N 428.488 4.711 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1cc2cc(Br)ccc2[nH]1 1865975309 SGKHHTCYHHIVPS-UHFFFAOYSA-N 438.260 4.594 30 10 IJEE C[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1866764949 SXZRGAOSXWNHAX-INIZCTEOSA-N 433.458 4.502 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1 1868724482 JREYAGIIPXFEBB-ZEQRLZLVSA-N 440.534 4.972 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@H](C)c1cccc(Cl)c1 1868996021 XXEVOFWNRAAOIS-FDDCHVKYSA-N 442.962 4.901 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)COc2c(C)ccc(C)c2C)n(-c2ccc(C)cc2)n1 1870001062 NAUDHVHNBQXRDH-UHFFFAOYSA-N 445.567 4.697 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCC(=O)c2ccc(C)cc2)n(-c2ccc(C)cc2)n1 1870001198 SUPGGDDFAKRTFP-UHFFFAOYSA-N 443.551 4.664 30 10 IJEE CC(C)c1ccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2)cc1 1870108456 IFYOGGHLCQQVKG-UHFFFAOYSA-N 437.931 4.773 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2)c(C)c1 1870108725 VLMBMQKAOHSFLA-UHFFFAOYSA-N 437.931 4.574 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2CCN(CC)CC2)cc1=O 1870410696 BGQZRHUJTYYAAK-UHFFFAOYSA-N 443.607 4.522 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870412945 OSSFGYJZJYTQSY-OYRHEFFESA-N 428.621 4.641 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CN(CC)CCCC 1870745175 ICVIXTIAXYRVKU-UHFFFAOYSA-N 439.600 4.599 30 10 IJEE C=CCN1COc2c(cc3c(c2C)O/C(=C\c2cn(CC)c4ccc(OC)cc24)C3=O)C1 1871355453 ADIFPSQHMXKKJC-KSEXSDGBSA-N 430.504 4.932 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1OC)C2=O 1871394327 QUCBTABPESMKOW-JLPGSUDCSA-N 444.531 4.785 30 10 IJEE CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871410823 ICVDKNVWNDMHGC-XMSCMFJESA-N 428.488 4.975 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871441446 DANGDQICSYOADO-UUYOSTAYSA-N 431.444 4.733 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CC 1872207820 HRXCUSQMILWAJT-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)CCCC 1872478392 KUFDRFGVAYHJKT-HSZRJFAPSA-N 428.598 4.937 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872517473 RHWMUMARRBQVQB-OAHLLOKOSA-N 441.380 4.814 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773258 MCEWLGZOJFHEMX-LRDDRELGSA-N 426.881 4.836 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c(OC)c1 1872783854 JNNMXAYPTQGNAS-GOSISDBHSA-N 444.516 4.877 30 10 IJEE CCCCCCCCCCN1C[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1=O 1873005333 RUEVWZFMJWQUEU-OAQYLSRUSA-N 448.051 4.978 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2c(C)cc(C)cc2C)C1=O 1873117878 BMLNISJQONWLLE-UHFFFAOYSA-N 427.633 4.594 30 10 IJEE COc1cccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)c1OC 1874233385 GBIBKCQMARUNKO-PCLIKHOPSA-N 432.549 4.838 30 10 IJEE C=CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1cc(Cl)ccc1O 1874313960 WJQUKNUDOVUXTJ-OEAKJJBVSA-N 428.945 4.591 30 10 IJEE Cc1cccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874335083 GIFAQDUHFKIOLC-MNVTYAKESA-N 447.608 4.794 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1c(Cl)cccc1Cl 1874431178 MLOUCCAXVQJGIK-YSURURNPSA-N 448.379 4.704 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2c[nH]c3ccccc23)cc1 1874461051 UACFHTJTJQWZOZ-YSURURNPSA-N 446.414 4.861 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CC2)cc1 1874520164 DTWOCVRMYWACNU-ZVHZXABRSA-N 444.601 4.898 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874583133 XUEXCIIXRYGYBG-VQHVLOKHSA-N 429.472 4.946 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)c(Br)c1OCCCO 1874595403 JOQIBSKYBMGFIX-WEVVVXLNSA-N 425.706 4.768 30 10 IJEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1 1874601799 DRSUUCGQUPTBKY-JLHYYAGUSA-N 427.416 4.719 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c(C)c3)cc2OC)o1 1874608075 VHVKRJJAWFNVCL-WEVVVXLNSA-N 436.460 4.867 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3F)c2)c1 1874704540 UKJVSZNZWIMOLZ-DHZHZOJOSA-N 436.435 4.967 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccccc1C 1874706484 KLTNTQIKJKHOJH-JXMROGBWSA-N 430.456 4.890 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(COc3ccccc3OC)n21 1875046806 JNRONRZQCSLGPV-QGZVFWFLSA-N 432.590 4.575 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C(F)(F)F 1875159822 MKVBVDYRUQPPSM-FARCUNLSSA-N 447.178 4.961 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)cc3Br)ccc21 1889641331 CHFGVXQXQZMWQX-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CC2 1949368109 XKKMEUJCCYMXSM-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE CC1(C)C[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)N(C(=O)OC(C)(C)C)C1 1964910029 WIPBZQOAJCUCFU-HNNXBMFYSA-N 436.350 4.685 30 10 IJEE Cc1cc(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(C#N)cc1[N+](=O)[O-] 1978830120 LPEXFHPQESOJDH-UHFFFAOYSA-N 442.475 4.726 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C=O)(Cc2c(Br)cccc2Br)C1 1980245980 JTSHJLHMGMXUAF-QGZVFWFLSA-N 447.167 4.580 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Cl)c(Br)c1F 2035952586 BLIWXVLRNJUKQI-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2047971196 RBHFKAOKBBGDFT-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c(C#N)c1I 2079936692 NECGNTOVYYGIDC-ZETCQYMHSA-N 441.141 4.925 30 10 IJEE Cc1cc(C#N)cc(C)c1Oc1ncc(I)cc1Br 2133374044 KNNIJRUIIAOWSA-UHFFFAOYSA-N 429.055 4.730 30 10 IJEE CC1(C)C[C@@](Oc2ccc(Br)cc2C#N)(C(=O)O)[C@H]1OCc1ccccc1 2156355234 PSUUPIVQERDYPO-RXVVDRJESA-N 430.298 4.538 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3cc(Br)cnc3C#N)CCC[C@H]12 2167618386 QXDSLQBAMRQKNJ-PXNSSMCTSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@]1(C(=O)Nc1ccc(Br)cc1C#N)CC2 2181097716 FWTRHXNSWJUDIX-YWZLYKJASA-N 434.334 4.581 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2ccc(Br)cc2Cl)C3)OC1(C)C 2194124663 MPMXTXXRSAGKJF-HXPMCKFVSA-N 440.574 4.801 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCCC)c2c(Br)cnn2CCC)C1 2197749899 VLLZFSSPMRUNEB-KRWDZBQOSA-N 441.414 4.710 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC(=O)Nc2ccc(Br)cc2C#N)CC1 2205436898 SJLSJQZQDBOPFH-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE Cc1cccc(C(=O)C#Cc2ccccc2Br)c1I 2227506226 PSNKMYXOCDLCID-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE C#CC[C@H](C[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237404559 IDHCZAYONLUGCU-RLLQIKCJSA-N 435.406 4.652 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2262207847 VGFNNSKTMSBRBI-RDGATRHJSA-N 447.572 4.655 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2267571362 HYQLTASMXJLYGF-UHFFFAOYSA-N 444.381 4.565 30 10 IJEE CC1(C)OB(c2cc(F)c(C(=O)N(Cc3ccccc3)C3CCCC3)cc2F)OC1(C)C 2267615817 JHXQSHGICMWYLX-UHFFFAOYSA-N 441.327 4.849 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)c1 2267842295 YYTSXSLZQMGEMY-UHFFFAOYSA-N 443.328 4.798 30 10 IJEE CC1(C)OB(c2ccnc(Nc3ccc(Br)c(Cl)c3F)c2F)OC1(C)C 2280771194 XXUDHDHLXXLTLX-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE N#C[C@@H](C(=O)c1c(F)cccc1I)c1ccc(Br)cc1 2282777492 IDGUMQUYHXLBOO-LLVKDONJSA-N 444.041 4.683 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2289685160 RIAATCDYQSMVQJ-UXHICEINSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296215821 DURBUUFYTBMTLM-KPLVRAHFSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CCC1CC(NC(=O)OC(C)(C)C)C1 2296220538 ZBHRZXRLUPYOJQ-SKINQDTJSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C#Cc1ccc(Br)cc1 2296221808 LYZFCPQYRSTAAR-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2296222470 RZTFXPBPNUWFGP-VQTJNVASSA-N 435.406 4.862 30 10 IJEE COc1c2c(cc3c1[C@H](CC(=O)C=C[C@@H]1C(C)=CCCC1(C)C)[N+](C)(C)CC3)OCO2 2297748542 NLHLDHDELFUZNZ-RTWAWAEBSA-N 426.577 4.995 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319732778 DKZHUNKLRIEJCQ-INIZCTEOSA-N 430.354 4.650 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(Cc2ccccc2F)CO1 2322056764 HMGNRUNWSWICQV-UHFFFAOYSA-N 432.407 4.702 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)N[C@H](C)c2ccccc2)c1 2322377465 QJVDPPGIPQMUEJ-LJQANCHMSA-N 445.515 4.856 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(C)c4)ccc3C2=O)c(OC)c1OC 2322880679 KALVNNJOJVMBJG-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2323473312 KILAYHADLQBNFX-AOJNWGRGSA-N 442.600 4.945 30 10 IJEE COC(=O)c1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2323627000 QMUJCTFRJIDPFA-UHFFFAOYSA-N 444.439 4.918 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(OC)c1 2324464657 VGFRNGHTNWXYQX-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2325504118 CQMFKXHJYAWPGB-DAXLTYESSA-N 442.600 4.992 30 10 IJEE Cc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)o1 2325631133 JUGQGFLTYGUUQC-HNNXBMFYSA-N 448.431 4.827 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(OC)c3)c2)cc1 2325703816 SJMJEZZVOAPXRH-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2325726899 HMGZGXWMGSROJG-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2325730195 NKNHXBQUJOJJSG-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)c(OC)c1 2325760954 OXPJHJYTBQAEBQ-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)c(O)c1 2325908759 PMNPHZNQASJUQT-UHFFFAOYSA-N 439.324 4.569 30 10 IJEE CCCOc1c(OC)cc(C=Nn2cnnc2SCc2ccc(C)cc2)cc1OC 2326287172 VIYLZIIFJLQDGB-UHFFFAOYSA-N 426.542 4.567 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cccc(OC)c1 2326766619 PVULGGBQYPMUNR-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE Cc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2328998225 HHKWLIVZGUVCDU-QFIPXVFZSA-N 447.608 4.794 30 10 IJEE CCOc1ccc(CCNC(=S)NN=Cc2ccccc2C(F)(F)F)cc1OCC 2330422304 SQKKYUPXSDQMSM-UHFFFAOYSA-N 439.503 4.544 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc[nH]1 2330575967 HVAJFKOUQPJHMP-UHFFFAOYSA-N 436.566 4.565 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2330639958 AFBDZQCGADAJPZ-UHFFFAOYSA-N 432.480 4.957 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc2ccccc12 2331018474 YKYIXTRTGDEPHR-UHFFFAOYSA-N 435.597 4.932 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccccn1 2331046375 LUKVIGBKCHKKKD-UHFFFAOYSA-N 444.443 4.842 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc1 2331351777 XZHQQSLQMKKYOG-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1c[nH]c2ccccc12 2331636679 KNEXSVBGRFLENM-UHFFFAOYSA-N 432.553 4.633 30 10 IJEE CCN[C@@H](C#CC(C)(C)OC)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2338205444 ICTRBPHJSBPZNF-KRWDZBQOSA-N 425.367 4.875 30 10 IJEE CC[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338520172 WVCWWNPVJBCNLX-RPBOFIJWSA-N 434.433 4.691 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576444 IGRBLHHYFFJKLB-MOPGFXCFSA-N 444.381 4.798 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CCc1ccc(OC)cc1Br)NCC 2364848476 HQIPHFJKKOWENP-RTBURBONSA-N 441.410 4.838 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(O)C#Cc1ccccc1Br 2381060347 UCISSZJFBKKLOO-LFWOZUSOSA-N 434.374 4.635 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1 9861160 VFOOEMDTYCBPTA-VWLOTQADSA-N 444.579 4.843 30 10 IJEE COc1ccc2cc([C@H](C)C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)ccc2c1 26334914 FVHZWEMRMJDJOT-GJZGRUSLSA-N 448.544 4.944 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2)c1C 32973273 VFVOILVZYOBGPQ-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(F)cc2)Nc2cc(C)cc(C)c2)c1C 32973374 NGCXKKJBHVGTSC-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE COc1ccc(OC)c([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)c1 33321209 RDCNYYGMDFXXCQ-QKFKETGDSA-N 432.476 4.664 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(F)cc2)c(OC(=O)c2ccc(OC)c(OC)c2)c1 33442166 YTUNULNMKYQQMF-SDQBBNPISA-N 436.435 4.967 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc(Br)cc1 33514005 KCCOQWPFTBBZLM-FBHDLOMBSA-N 436.261 4.722 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccccc2N2CCCN(Cc3ccc(F)cc3)C2=O)c1 34734880 UVXVXGNFPHGMFS-UHFFFAOYSA-N 428.467 4.782 30 10 IJEE Cc1c(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c(O)n(C)c(=O)c1C#N 38615864 DVSMPPNZCXSKQG-UHFFFAOYSA-N 427.696 4.677 30 10 IJEE CC1=C/C(=N/S(=O)(=O)c2ccc(C)cc2)C=C(Sc2nc3ccccc3s2)C1=O 39771588 GYBQNQZBQSHYRO-HAHDFKILSA-N 440.571 4.940 30 10 IJEE C=C(Br)Cn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21 40206048 UICODJCYNUBKNS-UHFFFAOYSA-N 426.358 4.924 30 10 IJEE C[C@H]1CCc2c(C#N)c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc(=S)c2C1 41011713 XZZODDNUQMJSES-VIFPVBQESA-N 430.467 4.543 30 10 IJEE COc1cc(/C=C2\Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)cc(OC)c1OC 41249985 DIIDTMNWCRFDPH-YVLHZVERSA-N 426.465 4.589 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1OC 41654245 GWMRQMKVKMUDIU-QRVIBDJDSA-N 449.528 4.776 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(OC)cc3)CO4)C2=O)cc1 41656589 WURQTRQBQBBOQW-MYYYXRDXSA-N 443.499 4.715 30 10 IJEE COc1cccc(N/C(=N/C(=O)c2ccc(C(F)(F)F)cc2)NCc2cccnc2)c1 46127295 YUDCHEBXIWQXFG-UHFFFAOYSA-N 428.414 4.507 30 10 IJEE C=CCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc(Br)cc1 59265881 OKSSSIWLGNKASY-UHFFFAOYSA-N 436.375 4.862 30 10 IJEE C=CCOc1cccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)c1 66091194 IRGSFYWAVWQFQY-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(F)c3)N(CC)C2=O)cc1 101613797 DZFNKPLEOJVFPJ-YPYXJLKGSA-N 429.517 4.595 30 10 IJEE COc1cc(/C=C/C(=O)Nc2ccccc2N(C)Cc2ccccc2)ccc1OCC#N 109144255 OLAWBKWATWHNLY-FYWRMAATSA-N 427.504 4.886 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(OC)cc2)c1 169923658 BZOOXFBZJYQCIQ-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(O)cc2)cc1C 169960289 GRORDDBWRPQTNN-XMMPIXPASA-N 441.483 4.727 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972451 HLNQXPFPZCVRNT-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(O)c(OCC)c1 169974593 GWQJXQOGSTVUAA-XMMPIXPASA-N 437.536 4.878 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)c1 170000530 NKSBDPQYJQTKAB-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2F)c(C)c1 170071256 JIPWQMRFFODBRG-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1sccc1C 170107882 LZCWWBFFLJNYFK-FQEVSTJZSA-N 437.492 4.983 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)c(OC)c1 170126629 NQBAGCPNKQMTOP-HSZRJFAPSA-N 435.520 4.571 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170134777 SWCKTXRCXWRYHN-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143578 TYTIQRBIOKRYPS-URXFXBBRSA-N 449.547 4.848 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3cccs3)ccc2O1 170155933 AWULCPQSQUVGCN-YEJXKQKISA-N 435.476 4.994 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccs2)c1 170158289 WQIGPWLPUMJIQQ-JOCHJYFZSA-N 447.512 4.919 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccccn2)cc1 170176993 YIBQGISIDWFSCP-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccn2)cc1 170182477 MGEVNIFIHXFYIL-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170214763 JKEOJEVPPOLYIB-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1C 170225259 UCPPUTDRTMLURI-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)c1 170230612 VWUOQAWGGZZHLP-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)ccc1OC(C)C 170230822 FIEHPIDIYXPDTI-XMMPIXPASA-N 442.515 4.956 30 10 IJEE Cn1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(F)cc2)c2ccccc21 170424260 YCPZGXIVQNAMDI-JOCHJYFZSA-N 430.435 4.689 30 10 IJEE CC(C)COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(O)cc2)cc1 170450613 YGMHZEYYIXTJRR-HSZRJFAPSA-N 447.487 4.799 30 10 IJEE CCSc1nncn1N=Cc1ccc(COc2ccc(Br)cc2Cl)o1 254567211 NYPPLFSITSXILH-UHFFFAOYSA-N 441.738 4.860 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 437553773 FCIIEHSAJRAGEF-CYBMUJFWSA-N 437.443 4.599 30 10 IJEE N#CCC[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1 440237790 GTZUTKQHWZYIRJ-TZIWHRDSSA-N 433.487 4.810 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 467403047 UURTXPKSLCWECW-UHFFFAOYSA-N 425.485 4.699 30 10 IJEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1 508706813 QMTAABCLEOKKQZ-INIZCTEOSA-N 438.494 4.591 30 10 IJEE C=CCn1c(SCc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)nc2ccccc21 535647766 ZBFHODIFZQKMEW-UHFFFAOYSA-N 425.535 4.573 30 10 IJEE C=CCc1cc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc(OC)c1OC 543832390 ARCGHJZGLPIBJU-FQEVSTJZSA-N 435.442 4.665 30 10 IJEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 558996984 AAJUJOJRBOZTIP-IBGZPJMESA-N 429.446 4.513 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1cc(F)cc(Br)c1 576380942 LTHOPWCEJCSHFT-LJQANCHMSA-N 442.336 4.693 30 10 IJEE COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(Cl)cc2)c1 586249108 QHTAHQVJLSJGRK-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccccc1 610304643 QOYGTKZNWMCDPT-RUZDIDTESA-N 436.515 4.585 30 10 IJEE C[S@@](=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 613780492 GWEIFQCZEFENCP-SSEXGKCCSA-N 449.479 4.614 30 10 IJEE C=C(C)C[C@@H](C)c1nc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1 685360871 LWOWICONZQXUTQ-OAQYLSRUSA-N 444.579 4.616 30 10 IJEE Cn1c(SCc2cc(Cl)ccc2OCC#N)nc2sc3c(c2c1=O)CCCC3 735232304 LQDJGFPFWXZSLT-UHFFFAOYSA-N 431.970 4.722 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCCCC[C@@H]2c2ccco2)cc1OC 736582022 OTIAMMOSZCVQAA-HXUWFJFHSA-N 428.529 4.962 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)cc1C#N 755298701 WMCFPLXRLPKQCP-UHFFFAOYSA-N 437.887 4.782 30 10 IJEE C=CCOc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCN4C(=O)CC)o2)cc1 768461035 GQLHCXOZBVJZHS-UHFFFAOYSA-N 449.532 4.576 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2sc3nccc(C)c3c2C)nc1C 914833568 IAAIORQVTONZMD-UHFFFAOYSA-N 442.595 4.664 30 10 IJEE O=C(CSc1ccc(C=NNc2ccccc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 1084177907 PVRYIWGGOUCYCY-UHFFFAOYSA-N 436.449 4.924 30 10 IJEE CO[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)Nc3ccccc3)SC2=Nc2ccc(C)cc2)C1 1116748863 RWQJKCKUTHHDIY-HBMCJLEFSA-N 437.565 4.523 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)sc2ccccc12 1124742834 CFBOCRGUJQZSSS-HNNXBMFYSA-N 437.496 4.554 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSCc2cccs2)c(C(=O)OCC)c1C 1124756608 JQLJKBMKGKGMRB-UHFFFAOYSA-N 439.580 4.509 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCc3c(NC(C)=O)cccc32)s1 1125257354 HYKKBCNXXFCQEE-UHFFFAOYSA-N 436.002 4.776 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)Oc3ccccc3OCC)c2)CCCCC1 1128926646 QZTZUEDTQSKCDN-UHFFFAOYSA-N 443.565 4.862 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)s1 1130716969 CGILYPHRLGSJOE-CQSZACIVSA-N 442.956 4.845 30 10 IJEE C#CC[C@H]1CCN(C(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)C1 1131664398 VSOOTTGRYXIQHK-SFHVURJKSA-N 448.950 4.715 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)CCN1CCN(c2cccc(Cl)c2)CC1 1135486785 GUOYMUDTJKOFQK-UHFFFAOYSA-N 438.424 4.782 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c(OC)c1 1141719779 RSGQWKAXNIJDIQ-NHCUHLMSSA-N 436.596 4.597 30 10 IJEE COc1ccc(-c2csc(CNC(=O)CCCC(=O)Nc3ccccc3C#N)c2)cc1 1149176007 FKEMBDLLAAMMOF-UHFFFAOYSA-N 433.533 4.721 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N1c2ccccc2CC[C@H]1C 1189025449 SXLKKRJDRJENPW-LJQANCHMSA-N 448.592 4.812 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@H]1CCCO1 1197352816 YMOXARQWFRTMAA-RBUKOAKNSA-N 431.355 4.903 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)CCCC1(C)C 1199446348 KWPJGPWKBIPBAF-INIZCTEOSA-N 434.480 4.587 30 10 IJEE COc1ccc(Sc2nsc(NC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)n2)cc1 1205845109 DEGZWMLLEIGEAN-GOSISDBHSA-N 437.550 4.769 30 10 IJEE C[C@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H](c2cccc(C(F)(F)F)c2)O1 1219885687 HXDPPIVPXBDYLC-BBATYDOGSA-N 425.357 4.849 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cc(OC)c1OC 1221553951 YPVJHCZTKJKQJU-IBGZPJMESA-N 430.495 4.800 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1229990548 WPAWAQOZPOBWMK-DNQXCXABSA-N 449.595 4.835 30 10 IJEE C=Cc1ccc(CCNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 1251314122 SRFYBYAPJUVNCX-KBPBESRZSA-N 442.350 4.685 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1251830866 NNPBEGRLBBBITL-FCHUYYIVSA-N 435.568 4.839 30 10 IJEE C=CCN(C(=O)c1cccc2ccncc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1264307648 HWNBRVWPGSBKER-UHFFFAOYSA-N 449.557 4.595 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 1265133329 ITSKNWBBVLWVRV-UHFFFAOYSA-N 442.419 4.598 30 10 IJEE C#C[C@H](NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccc(Cl)cc1F 1275497856 JQKXTEMJMNUFCA-PMACEKPBSA-N 449.751 4.869 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCN(CCC)C1 1286274500 KHKCPBGPNSBYON-NFBKMPQASA-N 444.627 4.542 30 10 IJEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1286356987 WYCVNMOMWMVLHG-UHFFFAOYSA-N 448.596 4.723 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)c1ccccn1 1286382865 WEAUGAZGZDDVQX-UHFFFAOYSA-N 444.366 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCS1 1286421197 WHXVTNRLUXEMKZ-FGZHOGPDSA-N 436.625 4.784 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCC(F)(F)C1 1286421681 GHTDISZZRKVTQZ-LJQANCHMSA-N 433.506 4.700 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCc1ccc(Cl)s1 1286458610 ZQRKXCJXKQOLPR-UHFFFAOYSA-N 428.964 4.967 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC1CCC(OC)CC1 1286461216 PRQXJFWFTKBIHD-UHFFFAOYSA-N 438.591 4.995 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCCC 1286553160 UKLNMIBCHHFTPZ-WMLDXEAASA-N 439.423 4.987 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286614172 NJDGARFVZRVUKK-NJDAHSKKSA-N 448.652 4.573 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1scnc1C 1286625256 CIXOJLHGKKSFFK-UHFFFAOYSA-N 447.992 4.895 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H](C)C1 1286836598 OKKVAPZDQUPIKN-OTWHNJEPSA-N 449.665 4.752 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 1292934327 VXGVYNWIXCGNIH-CJNGLKHVSA-N 434.886 4.789 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1293931275 DSIWVFUPFBFOEU-IPMKNSEASA-N 425.577 4.557 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1cccs1 1295636056 BWHYRNPSUJPANB-HSZRJFAPSA-N 449.605 4.874 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](CC)[C@H]2C)c1 1296702056 QQQRJNAYTQCKHQ-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC1CCC(C(F)(F)F)CC1 1298327016 HXWVBPWFGDTDEY-AJPWXKBRSA-N 447.505 4.659 30 10 IJEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCSC2(CCCCC2)C1 1300423125 IHGWXVPUICPGDK-UHFFFAOYSA-N 428.577 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CCC1 1300802377 NPKFKEPAMWNTIQ-KBMIEXCESA-N 441.620 4.575 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1c(C)noc1C 1300873006 DXNSNGFXPGWOQF-NQIIRXRSSA-N 441.963 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301144074 USFRNCULTGXCSQ-NRFANRHFSA-N 439.604 4.825 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1301162893 FJXOZVQAMXFIOC-AZUAARDMSA-N 435.538 4.834 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1301182368 HPDZMQWDVJTQKN-UHFFFAOYSA-N 436.991 4.672 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1c(C)noc1C 1301351255 NUHHYBDZGSIUNO-OXQOHEQNSA-N 439.535 4.522 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H]1CCCCC1(F)F 1301360164 VZAWYMWXDWKFHO-MRXNPFEDSA-N 430.528 4.815 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN1C1CCCCC1 1301420863 KWFTZYNRETZXCB-QHCPKHFHSA-N 437.632 4.689 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1301470202 SJVUBPWYLKMAQB-QZTJIDSGSA-N 439.387 4.990 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](CC)C1)OC 1306408665 CZRZFVOFYPVEIN-NMNUPHIUSA-N 439.604 4.662 30 10 IJEE C=CCn1c(SCc2cn(C)nn2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1307246258 SZVQIXKSKISTKR-OAHLLOKOSA-N 428.631 4.764 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2c(Br)ccc(F)c2C1 1307667702 XWRJBABAMMZNEV-CQSZACIVSA-N 437.378 4.611 30 10 IJEE C=CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1308687389 AKUDHZQOTXPPDI-MZYLBHOOSA-N 444.616 4.684 30 10 IJEE Cc1cc(NC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c(C#N)cc1N(C)C 1310836012 BMTQJYNOBJULGD-UHFFFAOYSA-N 426.520 4.856 30 10 IJEE C=CCN(C(=O)C[C@@H]1CCC2(CCC2)CO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350012695 OLMXLQRAYWDORV-SFHVURJKSA-N 427.526 4.977 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1nc(Cc2ccc(Br)cc2)cs1 1350871030 BGYDZSLRCJDKIL-UHFFFAOYSA-N 428.311 4.629 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 1355009541 ZKBMXLXZHLEAIZ-UHFFFAOYSA-N 433.489 4.914 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)cc1 1355318210 ZJKKOOJQNZBIPR-HXUWFJFHSA-N 448.441 4.569 30 10 IJEE C=CCc1cc(CNC(=O)c2csc(-c3ccc(OCC)cc3)n2)cc(OC)c1OC 1357245888 BBDIVZZUXFUMFP-UHFFFAOYSA-N 438.549 4.885 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCC(F)(F)C1 1358943160 YCJOWSSLSZCXOX-KRWDZBQOSA-N 426.467 4.622 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@@H]1C(C)C 1359004316 RNQYLTXRIMYLRB-DYESRHJHSA-N 430.980 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H]1C 1359094121 XITPRWZPPLIJIX-QXOCSCLMSA-N 445.405 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)C1 1359095351 NPBFHGUHQIVNOP-RFWXGWTQSA-N 440.588 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CC)Cc1ccc2c(c1)OCO2 1359098763 FREPBMRLOQLXIK-AUSIDOKSSA-N 440.588 4.603 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1359149732 HHJRQYXKTPLKAY-LJQANCHMSA-N 432.927 4.511 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(CCc2cccs2)CC1 1359218090 XFRHLXGUIFCWCU-UHFFFAOYSA-N 435.641 4.570 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1359225382 XAZKFXIQVZMECW-UHFFFAOYSA-N 431.584 4.799 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2Br)c1 1435005989 XLHIGCDBAYSCRO-UHFFFAOYSA-N 425.238 4.779 30 10 IJEE COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1 1436204053 FMOKCTLIYZSADC-YWZLYKJASA-N 443.341 4.708 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)c1ccccc1 1439952727 UPOSHDGYWSVMOF-DCFHFQCYSA-N 447.398 4.826 30 10 IJEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)C1(Cc2ccc(F)cc2)CC1 1444833225 HPKVLGBNAFRKQU-IBGZPJMESA-N 449.366 4.734 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 1448617710 SXXVSAVYABZMQO-KRWDZBQOSA-N 439.383 4.838 30 10 IJEE C[C@H]1CN(Cc2ccc(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)cc2)C[C@@H](C)O1 1458099498 AHJFXCKVRRVMJS-BGYRXZFFSA-N 443.595 4.705 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCN3C3CCCC3)s2)c(C(F)(F)F)c1 1464288949 BCPQVAMNXRWNLF-SFHVURJKSA-N 434.487 4.580 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1465781369 REBLOLHGEKSQBU-UHFFFAOYSA-N 443.522 4.777 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC 1468479224 REHBUMCZWCAAQS-WOJBJXKFSA-N 444.572 4.568 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(Cc2ncc(C(=O)OC)s2)CC1)c1ccccc1 1469469264 QWXYDAJAVOKERZ-LJQANCHMSA-N 427.570 4.601 30 10 IJEE C#CCN(CC(=O)NCCCC1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1473169390 WRDSKXCJQWYIKW-OAQYLSRUSA-N 447.417 4.685 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CC(C)C)CN1CCCC1 1478686735 HDUAGUHMEJSWEK-IBGZPJMESA-N 440.401 4.796 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1479507162 HTNKFGWUPHNVOI-RQBNJVACSA-N 441.572 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@H]1C 1507523712 QUOLEQPRHRVDTG-VQTJNVASSA-N 439.673 4.998 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCn1nc(C)cc1C 1507699181 CQZODEHEFLCSEP-UHFFFAOYSA-N 446.530 4.529 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C)[C@H]1C 1507793593 DXTMFXQIYZKFIO-LHUKNYEISA-N 430.980 4.823 30 10 IJEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C)=C(Br)C1 1507829264 VLYLVOUXIJDOQE-UHFFFAOYSA-N 439.361 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507910820 CEJKMBIENWYNDF-OAQYLSRUSA-N 435.616 4.605 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1C(C)C)c1ccccc1 1507921657 WVUODIGCUPQMRZ-FGZHOGPDSA-N 444.583 4.910 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(Br)o1 1507945468 BJNJCQFTTBDLQR-UHFFFAOYSA-N 431.334 4.912 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1508168593 RZCUREDXQWUZKW-JOCHJYFZSA-N 440.613 4.741 30 10 IJEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)cs1 1513735774 AMYILHWJVNQIAN-UHFFFAOYSA-N 434.594 4.776 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)cc1 1523871931 YUOUAAWTHQNWNE-UHFFFAOYSA-N 434.414 4.926 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(Br)sc2C2CC2)c1Br 1525919972 CTTBLZMJFZCILO-UHFFFAOYSA-N 427.121 4.669 30 10 IJEE C=CC[C@]1(C(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)CCCN1C(=O)OC(C)(C)C 1527041128 UUAPYFOTPWUVMX-HSZRJFAPSA-N 446.498 4.743 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)COc1ccc2ccccc2c1Br 1529108351 ZZFLEHPEBKGLMY-UHFFFAOYSA-N 426.285 4.782 30 10 IJEE C#CCN(C(=O)CCOc1ccc(C)c(C)c1)[C@H]1CCOc2ccc(Br)cc21 1531553673 NPYRRWRUSRYXEC-NRFANRHFSA-N 442.353 4.820 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(Br)c(OC)c(OC)c2)C(F)(F)F)cc1 1532570181 MHQWFPVMYUTOSH-KRWDZBQOSA-N 443.215 4.908 30 10 IJEE Cc1cc(NC(=O)CC[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)nn1CCC#N 1535445613 BTJDIYRCQRIWOA-LJQANCHMSA-N 431.581 4.688 30 10 IJEE C=CCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C(F)(F)F)cc1 1536397697 DRVZVBGAUPPXSU-QGZVFWFLSA-N 426.366 4.955 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)[C@H]1C 1539141139 YSNBOPMIOKVCLK-CABCVRRESA-N 439.412 4.908 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)NC3(c4cccc(C(F)(F)F)c4)CCC3)C2)c(F)c1 1539224052 CJTBGFYRHQWSQW-INIZCTEOSA-N 431.433 4.738 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(CC)Cc1c[nH]c2ccccc12 1539611525 ARCLVCHXJGBLJS-GOSISDBHSA-N 430.350 4.546 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCN(CC(F)(F)F)C1 1539655919 RZWAHMNGKSGLFE-KRWDZBQOSA-N 447.505 4.978 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 1539719721 FABGQBQNMQBDBN-UHFFFAOYSA-N 446.878 4.849 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CC=C(C(F)(F)F)CC1 1539758666 QKVQWHSDLSLMKH-UHFFFAOYSA-N 434.506 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1539900061 GMPXBYHNNOFLGA-GHTZIAJQSA-N 439.604 4.611 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccccc1 1539949306 XFRPJNWZGXAROO-REWPJTCUSA-N 431.584 4.628 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCC(F)(F)F 1539999722 OZAYZSCGSFDKDF-UHFFFAOYSA-N 448.493 4.591 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC(C)(C)C1 1540048837 BXAJRXNZFWQZJI-SFHVURJKSA-N 432.012 4.816 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1540052064 VWWNTOKYYDOLOY-AFMDSPMNSA-N 432.616 4.934 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCC[C@@H]1C 1540184605 GGKRDHIOWKEPBK-UUOWRZLLSA-N 440.975 4.978 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1544383047 UBPJXQACOQZTHF-FSSWDIPSSA-N 430.589 4.862 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N(Cc3ccccc3)[C@H](CO)C3CC3)c2)cc1 1546187057 FIIPUTYWKUPVOP-AREMUKBSSA-N 426.516 4.551 30 10 IJEE N#CCC1CCN(c2nnc(C3CCC3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1555996004 HFRHFWLIUIWPIW-UHFFFAOYSA-N 435.906 4.979 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 1556575480 RMWZELRDVJYYSV-PKTZIBPZSA-N 443.996 4.983 30 10 IJEE C[C@@H]1CN(c2ncc(C#N)cc2Br)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1559197225 CMOFIILTGFRIPM-BZNIZROVSA-N 426.236 4.701 30 10 IJEE C=CCn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCC3 1559328611 GYZRSBKCCFGPCR-UHFFFAOYSA-N 443.550 4.602 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Cc1ccc(Cl)cc1 1559390873 GPRPUWJFLHQETI-UHFFFAOYSA-N 427.957 4.909 30 10 IJEE C=C(C)COc1cc(CNCc2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1OC 1560512858 BZZQVQOBUMUCPK-UHFFFAOYSA-N 426.557 4.965 30 10 IJEE C#C[C@@H](NC(=O)CSc1ncnc2sc(C)c(C)c12)c1ccc(Br)cc1 1569673922 PYCFTHWWJPGXMV-OAHLLOKOSA-N 446.395 4.653 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)cc1OC 1587988300 KKZVLNUNTDSEMZ-TZSZMTFGSA-N 434.580 4.834 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)Cc1cccs1 1588110073 UGFXUSCURGSFSN-INIZCTEOSA-N 426.948 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1cn(CCCCC)nc1C 1588297644 BPAIEIPPXQGJGN-UHFFFAOYSA-N 441.583 4.696 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCSC1(C)C 1588482297 PXXIVFIWFYBQEM-IBGZPJMESA-N 437.588 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@@](C)(CC)O1 1589608122 BZMQLOULELVCKI-OXJNMPFZSA-N 436.398 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCc2ccccn2)cc1 1589657920 NOJVHZLWVPFHNU-JOCHJYFZSA-N 447.583 4.597 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1589722123 STQPXJONADMOAF-KDURUIRLSA-N 444.023 4.500 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1593899730 BDHBQVCYWUNFMK-OAQYLSRUSA-N 430.980 4.567 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCn2cc(C)cn2)CC1 1594430335 LHPKVLBDAIVAEA-UHFFFAOYSA-N 448.615 4.896 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCN(CC)C2)CC1 1594436716 DAFNOCDSLUQKNY-NRFANRHFSA-N 425.646 4.623 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)c1cccs1 1594692699 CZRRJTQQRJWXSN-INIZCTEOSA-N 430.599 4.574 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1595065443 OWVCXJPHQAONMQ-UHFFFAOYSA-N 443.473 4.782 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1595218072 GRILVACXZKQGOY-RTBURBONSA-N 431.625 4.691 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1595381767 UOKPHAVKDIQVKS-HXUWFJFHSA-N 448.615 4.536 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1612777714 BJWOUQUTBAYHKK-LEWJYISDSA-N 432.616 4.687 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NCCc2ccccc2C)nnc1-c1cccc(Cl)c1 1613655313 UVOYRHBXHSJMAP-QGZVFWFLSA-N 441.000 4.932 30 10 IJEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2nc(C)cs2)C1 1614193587 AEZHQFPQRHXJLY-WMZOPIPTSA-N 436.585 4.534 30 10 IJEE COCCC1(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@H](C)C#N)CCC1 1619784137 AKDUYFGHCHVQTH-QZTJIDSGSA-N 441.645 4.934 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccccc1 1621945896 CJIXTLIFVPAXRO-PXNSSMCTSA-N 435.973 4.741 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccc(Cl)cc1F 1622988963 AVROYMOKOSGOJD-OAQYLSRUSA-N 431.964 4.566 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1623360190 RJDMNFXATVNGLK-UQBPGWFLSA-N 430.548 4.778 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC23CCC3)ccc1Cl 1625608682 GSBCVJZBOUBSBL-HXUWFJFHSA-N 448.947 4.533 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1 1626770039 YNYORBPZJIHPIK-RUZDIDTESA-N 443.591 4.742 30 10 IJEE C#CCN(C(=O)NCCc1ccc(Cl)cc1)[C@H]1CCOc2ccc(Br)cc21 1628460521 SWUSHIARNUWDCA-IBGZPJMESA-N 447.760 4.814 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 1631453116 YXRGXLIOUHGJOX-PKOBYXMFSA-N 439.581 4.661 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 1632050598 YLVKZUJOOJKJJB-CVEARBPZSA-N 426.916 4.580 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 1634574515 HZBHUYWVKUPZLE-DHIUTWEWSA-N 431.536 4.551 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 1634845582 UOXTUXRJMIVDOZ-CRAIPNDOSA-N 430.442 4.537 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 1639005536 GPCCNZHENSURKO-FQEVSTJZSA-N 436.543 4.996 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccnc3ccccc23)CC1 1640520237 VVWCFYZZIAOOFT-UHFFFAOYSA-N 441.453 4.781 30 10 IJEE C#CC[C@H](CCOC)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1641836833 LNNZFFLJSSPAAV-LRXXLLMYSA-N 449.532 4.680 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 1644776828 RWTZNVJMMXUXHK-RSEQLOHWSA-N 437.653 4.638 30 10 IJEE CN(C(=O)CN(Cc1ccc(C#N)cc1)C1CC1)[C@]1(c2ccccc2Cl)CCCCC1=O 1645015271 CHJDOXFCNLCYDV-SANMLTNESA-N 449.982 4.673 30 10 IJEE N#Cc1ccc(C2CCN(CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)cc1 1648462643 CEPBTDYTIHSBGG-UHFFFAOYSA-N 437.543 4.997 30 10 IJEE C=CCn1c(S[C@@H](CCc2ccccc2)C(=O)OCC)nc2cc(Cl)ccc2c1=O 1652366074 XQMDITOABZEOMU-FQEVSTJZSA-N 442.968 4.893 30 10 IJEE C=CCN1CC[C@H](Sc2nc3sc4c(c3c(=O)n2CCC(C)C)CC[C@@H](C)C4)C1=O 1656101220 ZMQJVXPZJHXPIX-WBVHZDCISA-N 445.654 4.508 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1OC 1657045570 JZORNODJQDJYHY-FQEVSTJZSA-N 431.960 4.956 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 1658651249 YVYVPYQBVASMDH-UHFFFAOYSA-N 437.754 4.617 30 10 IJEE CC1(C)C[C@H](c2ccccc2)N(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1664597581 ADMCFLZEKUPJOR-QGZVFWFLSA-N 437.334 4.622 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)c1 1665184898 UADWPLOPWGZKMW-UHFFFAOYSA-N 432.337 4.971 30 10 IJEE C=CCCCCCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 1672562545 YOAWESWEQXZNFZ-LEWJYISDSA-N 433.568 4.964 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1)[C@H]1CCCO1 1673338043 YFFFKDCTYHHXCJ-RTBURBONSA-N 435.362 4.711 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 1674364698 WEAIBYCTCBNZKP-NRSPTQNISA-N 435.572 4.686 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C1CCOCC1 1674597145 NEGPTDXFTIGFCT-HXUWFJFHSA-N 434.870 4.638 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1675682438 OIIIAQUCFLJQRJ-HSZRJFAPSA-N 432.499 4.950 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1678503483 FXMSNIJUXXONLI-QHCPKHFHSA-N 442.003 4.890 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1 1678505498 WHNZCIJQHKMRRI-OAQYLSRUSA-N 441.597 4.521 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)CC1 1679470326 FYKTWMGRMFLCHZ-JOCHJYFZSA-N 444.959 4.559 30 10 IJEE C#C[C@@H](NC(=O)N(CC)[C@@H](C)Cc1ccc(OC)cc1)c1ccc(Br)cc1 1682356994 QHMIHAIFHPZERO-HRAATJIYSA-N 429.358 4.795 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 1682682063 BCRBFKGDWGOJJS-XLIONFOSSA-N 438.385 4.550 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC2(CCC2)C1 1689913221 JWSJTQSSAKGOEF-IBGZPJMESA-N 442.991 4.861 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC[C@@H](COC)C1 1689916150 BCHMGKHLNXWXQH-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCC(C)(C)C)CC1 1690114640 BLRDOSXHGHHUKT-UHFFFAOYSA-N 439.673 4.857 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)cc1F 1690230817 RJHFASDLLRYDEG-UHFFFAOYSA-N 439.329 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C[C@@H]1CCOC1)C1CC1 1690419730 AEXYIFYKRCXBNR-HNNXBMFYSA-N 448.409 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2cnn(C)c2)nnc1-c1cc(F)ccc1Br 1690439464 GWAKMDNKMPUCJQ-UHFFFAOYSA-N 433.329 4.926 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1690445073 RAUJVVDYCUBGCV-OAQYLSRUSA-N 437.588 4.573 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1nccs1)C1CC1 1690537815 UCMONHYUPAEMBY-HNNXBMFYSA-N 429.977 4.926 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690604512 WDSHPMOJMJSNGF-CBJLPSGESA-N 438.616 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1690697267 RSLRDLWNAQXVCY-MOPGFXCFSA-N 438.469 4.948 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(C)C)C2)c(C)o1 1692959938 HGOCSSAEMMTLEU-GJZUVCINSA-N 447.583 4.807 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C#N)OC 1693952664 CKHUEIYKSHTQTF-JENIJYKNSA-N 429.634 4.932 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc2c(n1)CCCC2 1705713173 WEMHIELKBXQOQR-UHFFFAOYSA-N 447.583 4.687 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCCS2)CC1 1705785718 SXPBLDMBXPIRDI-GOSISDBHSA-N 430.643 4.877 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)N1CCC(C)CC1 1705837974 WDXAPALUYKASOR-NRFANRHFSA-N 449.599 4.860 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCC[C@H](C)C1 1705880955 VXYPRFGTHVLAEF-UNMCSNQZSA-N 448.615 4.597 30 10 IJEE CC(C)(C)c1nc(CCn2c(-c3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)cs1 1706102231 DSDICPULPFCKOW-JOCHJYFZSA-N 442.539 4.523 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1712792681 BSLDNHDMVGSXLD-FTEYMNFISA-N 427.618 4.598 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ccc(C)o1 1722450678 BNOABWUFYIBUMI-QGZVFWFLSA-N 444.988 4.976 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCOc2ccccc2Cl)nnc1C(C)(C)C 1722500846 NIXLYMZBRJHFHQ-YLJYHZDGSA-N 432.996 4.725 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1722562581 DYQWPOYLCKPCJJ-NBGIEHNGSA-N 440.588 4.857 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2c(C)noc2C)CC1 1722578790 BGBZRVWJGJYIRK-UHFFFAOYSA-N 435.572 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1722581497 CXQPKTYYKWNGSD-KRWDZBQOSA-N 445.011 4.907 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722589867 PLFZEGKDDPUNBW-FGZHOGPDSA-N 438.616 4.885 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722596881 AXAQGUKZENUZCM-MSOLQXFVSA-N 434.382 4.540 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722616577 YEAZBMWSHPBLTJ-LJQANCHMSA-N 440.542 4.768 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@](C)(CC)O1 1722655677 PPLABAQMIVHEKC-NVQXNPDNSA-N 442.567 4.752 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)C1CC1 1722659199 RJFYOQWZVGJMDE-DNVJHFABSA-N 438.616 4.814 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccco1)N(C)C 1722663198 VZBSWONSXHPRLF-NRFANRHFSA-N 448.596 4.799 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1722669409 DXYBXWJSZAQNMU-XMMPIXPASA-N 428.584 4.664 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccc(OC(C)C)nc1 1722669532 VLNDSTBDYUUDFV-UHFFFAOYSA-N 428.540 4.835 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)C1 1726516280 FEPJCTOWTQIKRV-COPCDDAFSA-N 432.572 4.728 30 10 IJEE CC[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@](C)(O)c1ccsc1 1726914481 DEMADJZFQUBHAM-BVZFJXPGSA-N 447.608 4.926 30 10 IJEE CN(CCOC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1729547013 IDZFKLNBXUQIGF-UHFFFAOYSA-N 431.531 4.894 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCSC2)CCCCC1 1730640188 AJGLFQLWWWDFDP-NRFANRHFSA-N 439.629 4.745 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1740575396 RHKLBDCHBPPSOV-FQEVSTJZSA-N 439.585 4.518 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](CC=C)c1ccccc1 1740726395 ZETZXDYCSYEPLC-HUROMRQRSA-N 448.611 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC1(C)C 1740728605 YXJLRWHPZXFUMW-KSFYIVLOSA-N 443.389 4.754 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1740751975 QIZQWFYXMAWFRB-RNQOJCNYSA-N 429.634 4.922 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccc(C)cc1 1740763840 QOFLWXYXKVCAHH-DHLKQENFSA-N 438.616 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1CCC 1740772416 MAGIHYPILDOCME-WIYYLYMNSA-N 434.588 4.829 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCSC1 1740775950 JJQAPNBHCVCIOI-DEOSSOPVSA-N 444.645 4.559 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1740782994 BMGRXVRXBIGVSD-NRFANRHFSA-N 426.948 4.877 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2c(C)noc2C)CC1 1740832701 GRRDXIPBRVOTLE-GOSISDBHSA-N 439.535 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)c2nc(C)cs2)CC1 1740836214 RJFJYNRIUDIZIN-HNNXBMFYSA-N 438.557 4.824 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@@H](COC)C1 1740869404 MGSWGNPFPXAURS-OAHLLOKOSA-N 439.423 4.988 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740879528 OCBFGJOTIZCVJL-UHFFFAOYSA-N 434.588 4.669 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(OC)CCCCC1 1740894221 MOIFEWJAVKSVSN-UHFFFAOYSA-N 433.394 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CC1(N(C)C)CCCCC1 1740933471 UGNMHQMNKZNNOY-UHFFFAOYSA-N 432.616 4.724 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1 1740934468 FYGQJLCPGCMUOO-QHCPKHFHSA-N 433.625 4.785 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1748724989 OVWDHSDNCYLGNH-UHFFFAOYSA-N 437.607 4.666 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2C)C1 1748735141 PKCSSXYVYSFUIB-QGZVFWFLSA-N 438.373 4.751 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCO[C@H]1C(C)C 1748946246 BTRJAWCOTKEFLF-RDGATRHJSA-N 438.591 4.851 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1c1ccco1 1749046534 ABLMXZUDJVJODQ-HXUWFJFHSA-N 436.581 4.775 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(C)C)C1 1749046837 HNUAVGFBRVCLSK-NRFANRHFSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](F)COC 1749054692 XCMKPZBGOPDURL-WCAVRKLYSA-N 448.970 4.665 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC1(C)C 1749089959 GRRMPXGMAQDJMZ-UHFFFAOYSA-N 440.183 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)S[C@H](C)C1 1749126029 ZQKYBIYLARPYFL-CLWJZODNSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1749132682 CADDHIMAPDBOLX-ZHRMCQFGSA-N 435.547 4.582 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)S[C@H](C)C1 1749218753 VWTXPHYZACTOLC-IYBDPMFKSA-N 437.009 4.530 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@@H](OC)C(F)(F)F)CC1 1749292913 YGVIJVCPGQBYFQ-MAUKXSAKSA-N 442.457 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749376253 TULVPCXVJLAWJZ-LJQANCHMSA-N 441.645 4.573 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)CN1CCCC1 1749473279 DGOJBHHBDPKTET-UHFFFAOYSA-N 438.439 4.513 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCSC1)C1CC1 1749510410 GNUWGWJYCRUGKZ-GFCCVEGCSA-N 425.421 4.677 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCOC1 1760131724 YOBRLPNTNIKTGS-RBUKOAKNSA-N 430.980 4.738 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1nccs1 1760210664 VHTYGKAMVPCUPB-FPOVZHCZSA-N 447.608 4.758 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCO[C@H]1C(C)C 1760242119 UCKPICJYFLRYLI-OFNKIYASSA-N 426.580 4.707 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1760301169 UHUVVLCWCOLBBS-CJNGLKHVSA-N 433.350 4.770 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(=O)C(C)C 1760330921 GUEZMMRUYHDCDY-UHFFFAOYSA-N 425.621 4.807 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)c2cccc(OC)c2)CC1 1760403191 JJQLVXLDXHHRMC-UHFFFAOYSA-N 431.584 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1nc(C)c(C)s1 1760483493 RAEITZXIBCQXII-UHFFFAOYSA-N 434.544 4.793 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(C)C[C@H](C)c2nccs2)cc1 1760530614 WIRJGISESPGFDT-SFHVURJKSA-N 446.580 4.650 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1CSC 1760533451 QWSIWHDAFIYULA-HXUWFJFHSA-N 435.597 4.593 30 10 IJEE Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1761625914 FWDWGEYTEFSOFL-HSZRJFAPSA-N 437.569 4.552 30 10 IJEE CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)on1 1762176721 FMOVPTWPBZGYMI-QHCPKHFHSA-N 448.571 4.791 30 10 IJEE COc1ccc(C(C)(C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1768422343 CAHBGRYNQPZLBH-RUZDIDTESA-N 433.556 4.963 30 10 IJEE COc1cccc(/C=C2\SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)c1OC 1772736896 KBAHMQHOSIJFSH-IMYPBHDKSA-N 438.534 4.672 30 10 IJEE COc1ccc(/C=C2\SC(=NN=Cc3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 1772757140 AJQOVRMDJHTLOT-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE C/C(C=NN=C1NC(=O)[C@H](CC(=O)c2ccc3c(c2)CCCC3)S1)=C/c1ccccc1 1772759907 FIRIWSVVOGKCKR-WYBKCIMHSA-N 431.561 4.815 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccnc1Oc1ccc(Cl)cc1Cl 1772790846 XVRAGHHTPFUWPK-UHFFFAOYSA-N 429.215 4.549 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1862237829 RDZIKKQGIOGMOX-INIZCTEOSA-N 434.380 4.529 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 1862391160 ULSMHBMUXGJHAG-GMAHTHKFSA-N 437.511 4.926 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2cccc(F)c2)cc1 1862473603 CRSWTLUHVOFGQR-HSZRJFAPSA-N 436.527 4.588 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862693888 VVFHJRDAEVHUGZ-BLVKFPJESA-N 444.871 4.634 30 10 IJEE CCCOc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc(C#N)c2)C1=O 1862768745 DICQJDFXAPOHDY-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961892 MYQLSQVCUSNUNN-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2cccc(Cl)c2C)C1=O 1863051450 UBCPLCUFQLENTR-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c1 1863076618 BXUSCTYEZSALDU-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCN(CC)CC)C1=O 1863609971 YECMUVVAGKYAKT-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2ccc(F)c(C)c2)C1=O 1863790346 BAMUCRXJALMJGO-UHFFFAOYSA-N 431.596 4.506 30 10 IJEE COc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866978107 AREWQAOSCGXTIN-LOSJGSFVSA-N 441.531 4.803 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)nc(-c2ccccc2)n1 1867969931 KEDSXFHKLBCMEC-UHFFFAOYSA-N 449.599 4.816 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCCC1 1870334617 NKOSGDZQFHVFJL-UHFFFAOYSA-N 434.621 4.917 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(F)cc2)cn1Cc1ccccc1F 1870624432 NEMDMEFYIWHNEX-UHFFFAOYSA-N 436.502 4.928 30 10 IJEE COc1cc2c(cc1OC)CN(Cc1c(O)ccc3c1O/C(=C\c1cccs1)C3=O)CC2 1871398968 YECJEPKPQAFKLD-FMCGGJTJSA-N 449.528 4.645 30 10 IJEE CCOC(=O)CCOc1cc(C)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871411362 NCBWVVWKBFNRDN-WQRHYEAKSA-N 431.282 4.706 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871449219 UBKXULPJCYGPHA-SRMCNWIXSA-N 446.459 4.569 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871869918 QHMSVNSGKNKHCD-AWEZNQCLSA-N 427.353 4.587 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871973237 ZBQGBWCVUNBLLD-NRFANRHFSA-N 432.561 4.735 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872242998 FICDZVUBANBOJI-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872461074 PFYGUQKJPLEXRE-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)cc1 1872717422 USSNLTCIAWAJFS-IBGZPJMESA-N 442.581 4.580 30 10 IJEE CCn1c2ccccc2c2cc(N3CC(=O)C(c4nc5cc(C)ccc5n4C)=C3N)ccc21 1872731316 WPVPUPSRTBXWKV-UHFFFAOYSA-N 435.531 4.726 30 10 IJEE N#C[C@@H](C(=O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccccc2Cl)cs1 1872764314 JZNCOYXAOBXOIQ-AWEZNQCLSA-N 434.908 4.509 30 10 IJEE CC(C)(C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872770786 FHUKEDDYVAXDCC-OAHLLOKOSA-N 435.530 4.756 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773260 MCEWLGZOJFHEMX-WBMJQRKESA-N 426.881 4.836 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203456 QVHQWIZBLNUFRV-UHFFFAOYSA-N 427.504 4.562 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3CCOCC3)ncnc2n1CC(C)C 1873579178 VYAVPDQEYMCOOS-UHFFFAOYSA-N 443.636 4.794 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(-c3ccccc3C)cc2)cc2c(NC[C@H](C)O)ncnc21 1873628206 VHJCGXFVAVLMBX-SFHVURJKSA-N 441.535 4.638 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc2c(N3CCCC3)ncnc21 1873650799 WJEJBTUYJKZMLC-UHFFFAOYSA-N 444.583 4.706 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873665501 HFJGAAIBLAGNAV-HUUCEWRRSA-N 425.483 4.630 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674044 CMJSNRFHOJKTAK-UHFFFAOYSA-N 445.473 4.711 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccccc1C(=O)O 1874247526 JEQKOHUGLFICDO-LFVJCYFKSA-N 438.553 4.681 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2ccccc2OC)nnc1SCC=C 1874290412 RVSNLCJMUHFIKD-LFVJCYFKSA-N 436.537 4.591 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)c1 1874308341 RIBQPXWOZFYGJE-WGOQTCKBSA-N 431.565 4.883 30 10 IJEE C=CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874448912 ONOJZHJCYIFKTG-WEKPXBEKSA-N 434.521 4.509 30 10 IJEE Cc1ccccc1/C=N/n1c(SCc2nc(O)c3ccccc3n2)nnc1-c1ccco1 1874467377 GFVOTQVKBCTINO-ZMOGYAJESA-N 442.504 4.670 30 10 IJEE CC(C)Cc1nnc(SCCO)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874492384 KXJHKHNLNXSFQR-ZVHZXABRSA-N 444.988 4.676 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1cccc2ccccc12)NCc1ccco1 1874492798 FNNMBNINYRHKOW-VULFUBBASA-N 445.548 4.583 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874515493 AKZFKTDCQGOUTC-NUGSKGIGSA-N 428.480 4.594 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)cc1F 1874582473 PIEQJEKPWSOVIK-ZRDIBKRKSA-N 430.435 4.958 30 10 IJEE COC(=O)COc1c(OC)ccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1Br 1874598871 JHKDUXZAPIERPB-VQHVLOKHSA-N 433.298 4.522 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCCCO)c(OC)c2)cc1 1874615059 FDBWUKWWWHZDFX-BJMVGYQFSA-N 435.314 4.514 30 10 IJEE COc1cccc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccc(F)cc3)cc2OC)c1 1875157840 QWFZULHSHVMVPC-KPKJPENVSA-N 436.435 4.967 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)COC)c(OC)c2)c(OCC)c1 1875178204 YPPKYYMXQWMNLC-JXMROGBWSA-N 448.899 4.594 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1 1890532848 YYLYRDMQNKDGTJ-UHFFFAOYSA-N 432.427 4.547 30 10 IJEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)cc2)CC1 1891513562 XBLIOOLJEGOZBE-UHFFFAOYSA-N 432.911 4.600 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924833470 VGNLMBRSQJQJLW-KOSHJBKYSA-N 431.577 4.614 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@](C#N)(CNC(=O)OC(C)(C)C)C(C)C 1944400747 PIQZQVSJJCQYAW-HSZRJFAPSA-N 433.549 4.880 30 10 IJEE CN[C@H](CC#CC1CCCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1944819258 JPKFZZIFFWVRNF-DNQXCXABSA-N 427.633 4.574 30 10 IJEE C=C(COC(C)C)[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947479890 URKCPHSSJZTFGJ-XZOQPEGZSA-N 434.621 4.836 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)C1 1964996391 LTYYJGCVRXNBSI-XMERXJNXSA-N 444.575 4.812 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1997638134 MEWDYQUSFKMXAN-HZPDHXFCSA-N 436.557 4.709 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCCC2 2017318627 RHXNTDAGLZUBJH-NRFANRHFSA-N 434.541 4.750 30 10 IJEE CCCC#CC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024385277 LFMQJCGGJRHBAK-ZEQKJWHPSA-N 427.633 4.718 30 10 IJEE COc1cc(C=CC(=O)N2CCSC2=Nc2ccccc2Cl)cc(OC)c1OC 2040437360 RJBWMQAIEJWTDO-UHFFFAOYSA-N 432.929 4.642 30 10 IJEE C[C@H](C#N)Oc1ccc(C=Cc2nc3ccc(Br)cn3c(=O)c2Cl)cc1 2054617974 BXGIUZLQSDWKEU-GFCCVEGCSA-N 430.689 4.572 30 10 IJEE CN(C)C(=O)c1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079217695 LELHMCUDVRFLLT-UHFFFAOYSA-N 448.136 4.513 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)cc1C 2079977440 LZTSCACRRZHUDV-LJQANCHMSA-N 447.320 4.943 30 10 IJEE CCc1nn([C@@H](c2ccc(OC)cc2)C(C)(C)C)c(I)c1C=NO 2080022177 GPXFMLXCYYQUCI-INIZCTEOSA-N 441.313 4.502 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1C 2080036158 INJZSJOSOHGRKH-OAHLLOKOSA-N 445.251 4.859 30 10 IJEE CCc1nn([C@H](c2ccc(OC)c(F)c2)C(C)(C)C)c(I)c1C#N 2080088596 RAZOWVVFHGZHNA-MRXNPFEDSA-N 441.288 4.705 30 10 IJEE CCc1nn(Cc2ccc(C(F)(F)F)cc2Br)c(Br)c1C#N 2080380449 WYAKFQXZHWNSGH-UHFFFAOYSA-N 437.057 4.909 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2082128755 CQXZYKOTWGASRN-LNEBKTTKSA-N 446.632 4.572 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)cc2F)NC)C1 2126682503 GMLYJFFHTCLXQD-QGZVFWFLSA-N 427.358 4.580 30 10 IJEE C[C@@H]1C[C@@H](C)N(c2ccc(C#N)c(Br)c2F)C[C@@H]1CNC(=O)OC(C)(C)C 2174769402 YLPRFDDEONMEGL-NFAWXSAZSA-N 440.357 4.835 30 10 IJEE C=CCC1(C(=O)N2CCCc3cccc(Br)c32)CN(C(=O)OC(C)(C)C)C1 2180954768 QGYXIHGHAZRJTM-UHFFFAOYSA-N 435.362 4.542 30 10 IJEE C#CC[C@@H](CN(C)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)C1CC1 2196764245 COSBSHSAEYZUCC-INIZCTEOSA-N 435.362 4.918 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(Br)cnc2C#N)CC12CCCCC2 2198819034 COTJAKFEADBQOH-HNNXBMFYSA-N 436.350 4.807 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1cc(C(F)(F)F)ccc1Br 2228048640 ZBYKLNPQWJXJMK-SFHVURJKSA-N 429.232 4.843 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CC[C@H]1CCN1C(=O)OC(C)(C)C 2235717052 IRNADWSIAGTAGA-MOPGFXCFSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)C#Cc2ccccc2Br)CC1 2235719793 BICJCMSJFXPAQI-UHFFFAOYSA-N 442.300 4.652 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C 2235721295 AXBONCJWGIZQDA-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 2294377334 STAQIVISCRLDLB-QHCPKHFHSA-N 442.298 4.993 30 10 IJEE CCN1C(=C2SC(=Nc3nc[nH]n3)N(C3CCCCC3)C2=O)Sc2ccccc21 2295178635 HWTNYVDBBAHUCP-UHFFFAOYSA-N 426.571 4.502 30 10 IJEE O=C(C#Cc1ccccc1Cl)[C@H](O)c1cc(Br)c(Br)s1 2295241741 DDELNPDURRUFPC-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@H](O)C#Cc2cccc(Br)c2)CC1 2296221833 MEZZEPUOBDFHJF-AFMYVXGZSA-N 436.390 4.883 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1ccc(C)c(I)c1 2296284535 RQDMPGSHKMBKBE-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE CC#CCN(C[C@@H](NC)c1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2316097115 CCTUUEJSKZPFJV-CQSZACIVSA-N 433.749 4.763 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317350551 VCKSIVFILFPNSB-IRXDYDNUSA-N 432.370 4.654 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2ccc(C)cc2C)cc1 2321346915 QTHOZMLMDDUESY-UHFFFAOYSA-N 437.569 4.687 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C2CC2)ccc1OCc1cccc(Cl)c1 2321888230 MZIPVULYSQRVQK-UHFFFAOYSA-N 428.945 4.958 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)c(OC)c1 2321958592 CKVCEBWHDOMDMV-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1ccc(C)cc1 2322312381 ANQVBBSACPXPLF-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)c1 2323489760 HPJCRNMWUWKKMM-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCCc3ccccc3)ccc2C1=O 2324281223 DIYLVTRADLXKDL-UHFFFAOYSA-N 432.472 4.950 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2325715005 NTDUYIPBGDXEIH-UHFFFAOYSA-N 428.488 4.695 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC(=O)c1cnc(C)cn1 2325755147 MBFQQDWOBBTBIV-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326668892 WLXJVVWPCLIMQN-UHFFFAOYSA-N 441.944 4.557 30 10 IJEE OCCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1c(F)cccc1Cl 2327797736 FVOIQSKFPQEDOE-UHFFFAOYSA-N 440.931 4.781 30 10 IJEE Oc1ccc(C=Nn2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 2329341286 VUVKTCBRDZGORI-UHFFFAOYSA-N 430.533 4.875 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(Cc2ccc(F)cc2)nnc1SCc1ccccc1 2329837274 UEMDKZVVWVJRMH-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE CCCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(OC)c(OC)cc1OC 2330009887 KSWMQMYBUSJKHX-UHFFFAOYSA-N 440.569 4.587 30 10 IJEE CCCNC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C(C)(C)C)cc1 2330825974 QMBIIDQOLRSZTF-UHFFFAOYSA-N 429.634 4.665 30 10 IJEE C=CCSc1nnc(CCCC)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331343096 SRBOJYMFHMGGAZ-UHFFFAOYSA-N 439.379 4.648 30 10 IJEE Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(I)cc1 3661648 YUSVKEGMOQGDRO-CNHKJKLMSA-N 430.629 4.926 30 10 IJEE C#CCN(Cc1ccco1)C(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 14973972 BOVMICYDBOZMBZ-NDEPHWFRSA-N 440.543 4.580 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)CCc4ccc(C)cc4)sc3C)cc21 28616527 WBVPODZYENMOGW-UHFFFAOYSA-N 447.560 4.910 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccccc2F)c(C)n1 32972995 KGLHRLFSYKHNCJ-UHFFFAOYSA-N 425.483 4.586 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)c1 34955413 YLFLAOPTRVKJTG-FLIBITNWSA-N 448.471 4.836 30 10 IJEE Cc1c(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(O)n(CCc2ccccc2)c(=O)c1C#N 38619934 ZXITVHBTFNQKNL-QFBILLFUSA-N 445.346 4.751 30 10 IJEE C=C(Br)Cn1c(CCCNC(=O)c2ccccc2Cl)nc2ccccc21 40206212 DOBJDPLMLNIPME-UHFFFAOYSA-N 432.749 4.961 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3ccc4c(c3)OCO4)c2C)C1=O 41291289 ZVKWTFDIKXLVNM-JJFYIABZSA-N 430.412 4.568 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c1 41354482 NGECGWABNZDBAJ-MTJSOVHGSA-N 436.485 4.838 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)cc1OC 41654113 XADUPNLMENPOGQ-JJFYIABZSA-N 435.501 4.734 30 10 IJEE CCN/C(=N\c1cc(Cl)ccc1Cl)S[C@H]1CC(=O)N(c2ccccc2F)C1=O 59490325 FVCIPHMEHRBDEN-INIZCTEOSA-N 440.327 4.795 30 10 IJEE Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ncccc2OCCCC#N)cs1 72087482 YPLQUEVGDVLDBV-ZHACJKMWSA-N 434.521 4.760 30 10 IJEE CC(C)COC(=O)Nc1cccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 111198301 HXVWPYZWZHKRES-UHFFFAOYSA-N 436.512 4.557 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(C)cc1 169944936 ZNVGJLFXWUWMMB-XMMPIXPASA-N 441.483 4.721 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(O)cc2)cc1C 169960232 KIXUYTLIRABMQR-HSZRJFAPSA-N 443.455 4.521 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c1 169964988 UTPAIOWZSZNSAU-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 170005484 PFEFZZDQMNPZLS-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccnc2)cc1 170012740 INCWXNZSCZQLLR-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2c[nH]c3ccccc23)cc1 170077826 ZZSLWKWSOPDHEQ-DEOSSOPVSA-N 437.499 4.904 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(C)o2)c(C)c1 170100189 FFYUBWIHEAFCMC-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170123907 LIRYGWMMFCJGGS-VOIUYBSRSA-N 447.531 4.930 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccnc1 170184688 VRYXCTZFASUSCZ-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)ccc1Cl 170207988 QYFLOVQODAJWFS-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1OC 170249079 BBQALBBGVCFIIB-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@H]1c1cn(C)c2ccccc12 170269296 NIYQQSNSUWODGE-HSZRJFAPSA-N 432.520 4.874 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccncc2)o1 170307809 QLMDVVUMALKJPX-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226745798 GXQNYXQETXPZMF-VWKPWSFCSA-N 445.928 4.539 30 10 IJEE O=C(N=C1N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccc(Br)c1 254395519 UQBBVLOHGUMVFC-UHFFFAOYSA-N 426.701 4.900 30 10 IJEE C=CCc1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 309855094 KWPSHYQKGRKRJH-RUZDIDTESA-N 427.500 4.950 30 10 IJEE CC1(C)OB(c2cc(NC(=O)c3cccn3Cc3ccccc3)ccc2Cl)OC1(C)C 405020935 GUUPNRVZQDKFBA-UHFFFAOYSA-N 436.748 4.741 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1=O 439388294 RBUFTSUQQUZABW-LJQANCHMSA-N 433.430 4.748 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)NCC1CCC(C#N)CC1)C(F)(F)F 441789891 RBBOHQIWAYGDRC-LBXVMSDZSA-N 433.478 4.722 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 475566989 VOQXJGBBQFIHMS-UHFFFAOYSA-N 435.568 4.814 30 10 IJEE N#Cc1ccsc1C(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 502545394 XLKWKXMUGHIHNF-UHFFFAOYSA-N 440.322 4.565 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 504178333 YVCXZJWMBFYTHV-UHFFFAOYSA-N 427.957 4.509 30 10 IJEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(OCc2ccccc2)CC1 508506970 RITPEIUKEXAPMH-UHFFFAOYSA-N 443.595 4.603 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 508939111 QMGGRUKGPWEXGI-QRQCRPRQSA-N 444.988 4.774 30 10 IJEE CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OCC 539265312 HOOCAFCLDRKZKW-CABCVRRESA-N 427.570 4.584 30 10 IJEE C=CCn1c(SCC(=O)NCCC2(F)CCC2)nnc1-c1ccc(Cl)cc1Cl 554058298 KSXDIBVKZDOXGQ-UHFFFAOYSA-N 443.375 4.929 30 10 IJEE COc1ccc(Cc2nc(C)c([C@H](C)NCc3ccc(C#N)cc3F)s2)cc1OC 610812569 KZJGNGQRNZQQPB-AWEZNQCLSA-N 425.529 4.921 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669816326 RJIUODLICFAWMS-QGZVFWFLSA-N 445.523 4.674 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCc2ccc(Br)cc21 698371808 GGGZMPCGVALOII-OAQYLSRUSA-N 436.394 4.693 30 10 IJEE COC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1Cl 708738709 VKKYXBLVEBLEQL-NRFANRHFSA-N 439.940 4.515 30 10 IJEE C#CCN(C(=O)N[C@H](CC)c1nccs1)[C@H]1CCOc2ccc(Br)cc21 739048591 DADQLOZMZOXSFX-CVEARBPZSA-N 434.359 4.525 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)Nc3cc(F)cc(N4CCOCC4)c3)c2)s1 740443185 AXGCQVVPMKONMA-UHFFFAOYSA-N 436.512 4.584 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1OC 790279645 GBSKCLXNLBVVTI-HXUWFJFHSA-N 441.528 4.761 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)ccc1OC 798109428 UVYWECPTOMPUHM-MISYRCLQSA-N 427.932 4.775 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CO[C@@H](C)c1nccn1C)c1ccc(C)c(C)c1 808015670 OAFCAHGGELVCTC-NRFANRHFSA-N 433.552 4.913 30 10 IJEE C[C@H]1Oc2ccc(/C(=N/OCCCOc3ccc(Cl)cc3)C3CC3)cc2N(C)C1=O 821228773 QUZUHUBINNYTQI-QSGGGSIRSA-N 428.916 4.684 30 10 IJEE O=C(OCCCCSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1)c1ccccc1 1084206290 MVJRJVXCBSWAQK-UHFFFAOYSA-N 429.933 4.633 30 10 IJEE C=CCN(C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1)c1nc(-c2ccccc2)cs1 1124353021 RCRIXYIVQFCOAA-UHFFFAOYSA-N 434.496 4.651 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccc(F)c(F)c1 1128141953 RFPHYAMYYIPEGC-HSZRJFAPSA-N 441.499 4.986 30 10 IJEE C=CCC1(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)CCCCC1 1129029113 RTBIDVVDSJPYLK-UHFFFAOYSA-N 432.630 4.733 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1)c1ccccc1 1130319665 NQZTXSZOAFNFQU-OAQYLSRUSA-N 434.421 4.786 30 10 IJEE CC#CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 1152930790 QFNNCQQDGVQMEH-NBVRZTHBSA-N 442.515 4.501 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)O[C@H](C)C2)nc2scc(-c3cccs3)c2c1=O 1164510747 WHTOYPBUASSOTI-GASCZTMLSA-N 447.651 4.574 30 10 IJEE CCN(CC)[C@H](C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12)c1cccc(C(F)(F)F)c1 1164584383 BRGRFCURERGRLW-IBGZPJMESA-N 429.446 4.783 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(CCOC)CC(F)(F)F)c2C#N)C1 1167401941 GUPKZBHDNUVTEH-CQSZACIVSA-N 445.551 4.610 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)Cc2cccs2)c1 1167943257 PSHRBIHAVZDKBP-UHFFFAOYSA-N 447.951 4.609 30 10 IJEE C=CCn1c(SCc2cn(-c3ccc(Cl)cc3)nn2)nc2cc(Cl)ccc2c1=O 1187987532 SXPUYFOOMODHMP-UHFFFAOYSA-N 444.347 4.762 30 10 IJEE N#Cc1cccc(OC2CCN(CC(=O)Nc3cccc(Oc4ccccc4)c3)CC2)c1 1190903560 DFPVDQXYNJPJCA-UHFFFAOYSA-N 427.504 4.832 30 10 IJEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)[C@H]1CCCc2ccccc21 1200277228 SIZIGTBJJNUATM-QHCPKHFHSA-N 438.593 4.945 30 10 IJEE CCN1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C[C@H]1C 1201257194 CULRVUUMGRQGAZ-OAHLLOKOSA-N 432.446 4.927 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c(F)c1 1211525836 GRACXBWKGKTPFK-AWEZNQCLSA-N 440.340 4.688 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c(OC)c1)c1ccc(Br)cc1 1215526552 QYOVWFIXBKOQMW-HNNXBMFYSA-N 438.119 4.716 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccc(F)cc1 1216771636 IGGXRUBJCZEHAO-PZJWPPBQSA-N 444.432 4.905 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)cc(OC)c1OC 1221553341 DBOWXQOGOWCLOM-RUZDIDTESA-N 426.532 4.878 30 10 IJEE C#C[C@@H](CC)NC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1251644804 AXMHBMPEVPKFGD-NRFANRHFSA-N 430.379 4.822 30 10 IJEE C#C[C@H](NC(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1)c1ccc(Cl)cc1F 1252479706 ROCACEHRCZTEEI-ZHRRBRCNSA-N 425.935 4.779 30 10 IJEE C=C1CCC(C(=O)N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)CC1 1264927686 BHNJISODKXGENE-UHFFFAOYSA-N 431.296 4.863 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)OCc1cc(Br)cc(C#N)c1 1270786657 QHZUFJSJBHSTLY-WMZJFQQLSA-N 425.076 4.823 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)Cc1cnc(C)s1 1286558948 SDOBKSFXVUCXBI-NFBKMPQASA-N 437.613 4.560 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC)CC1 1286561391 DCSGGHXJCGCXBL-DXBBTUNJSA-N 430.637 4.804 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1286657101 SWQBAXWJSLYZJC-KNQAVFIVSA-N 438.563 4.548 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CCC2)CC1 1286664111 UCMKNGZYMZLQQC-HXUWFJFHSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cncn2)C1 1286666170 AQWZQROESHLROX-FGZHOGPDSA-N 433.604 4.855 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)CCC(C)C)C1 1286804911 PHIBVVXWMZAQOD-NFBKMPQASA-N 432.996 4.567 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)cc1 1292503039 CYEOZMOKUAXCBM-GJZUVCINSA-N 434.632 4.758 30 10 IJEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC2(CCCC2)C1 1293850141 HYISPCIIBUAZKW-FQEVSTJZSA-N 448.615 4.530 30 10 IJEE C=CC(C)(C)CC(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1299218115 ZDUYBSRNRAXPHB-UHFFFAOYSA-N 444.620 4.833 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1CCCCC1 1300571708 KFFBYFNMHLKNFB-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(C)C 1300657613 YXVAUZXSAXRJIY-UHFFFAOYSA-N 433.394 4.538 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C)CC1 1300742983 XZGBBXNOJLYXKQ-CQSZACIVSA-N 439.448 4.762 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1300832196 HFAWHXOWOFVNGL-IBGZPJMESA-N 433.394 4.667 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1301088839 HVKUMGKKYBPEDW-QFIPXVFZSA-N 428.989 4.648 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCSCC3)CCCCC2)CC1 1301105756 NWQOOYSVRLKSJU-UHFFFAOYSA-N 431.694 4.730 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1Cc1c(CC)nn(C)c1CC 1301351482 UFYWBUDSIQLXFJ-UHFFFAOYSA-N 447.562 4.512 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1cc(F)cc(OC)c1 1301358902 AUGMLUQWEBKGTM-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1CC1(N2CCSCC2)CCCCC1 1301384573 REPFZLYBHMWXPX-UHFFFAOYSA-N 437.657 4.875 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)C)n1Cc1c(C)sc(C)c1Br 1301416744 JORHMGPQQNGFHY-UHFFFAOYSA-N 427.412 4.529 30 10 IJEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCCCCC1 1301594437 CFCWJEZMRYDNDM-UHFFFAOYSA-N 448.036 4.551 30 10 IJEE C=CCN1CC[C@H](Sc2nc3sc4c(c3c(=O)n2[C@@H](C)CC)CCCCC4)C1=O 1307240652 UPNSQIVMFQJITO-YOEHRIQHSA-N 431.627 4.577 30 10 IJEE COc1ccc(-n2c(SCC(=O)[C@@H](C#N)c3ccccc3)nnc2-c2ccco2)cc1 1307312768 BDTISLGUMNSFGO-IBGZPJMESA-N 430.489 4.504 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)OC[C@@H]2c2ccccc2)n(-c2ccc(F)cc2)c1C 1307495850 HBIVIFFTFAVAGZ-BXKMTCNYSA-N 446.526 4.505 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1312270270 JDEUNLSXFKSOPU-QUCCMNQESA-N 431.577 4.535 30 10 IJEE C[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1351390984 VXPKWYACMLOMEW-PBHICJAKSA-N 438.366 4.604 30 10 IJEE C=CCc1cc(CNC(=O)c2cnc(Cc3ccccc3F)s2)cc(OC)c1OC 1356304597 JNZJQHURBHKITC-UHFFFAOYSA-N 426.513 4.549 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(C(=O)OC)nn2-c2ccccc2)c1 1358371198 OZCABIDYNCUHSR-UHFFFAOYSA-N 441.512 4.549 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN1CCCCC1 1359015937 KCZXGRXLIZWFQM-FQEVSTJZSA-N 449.574 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCc1sccc1C 1359065913 HMSOQEZPMBWNFQ-HXUWFJFHSA-N 444.402 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H](C)c1nc(C)cs1 1359074166 TYWYBVNUIVBGNV-QMHKHESXSA-N 439.560 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)c1cccs1 1359115700 KNJCPUWIXJWQQZ-HSZRJFAPSA-N 426.586 4.537 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](CN(CC)CC)C1 1359148832 DUNRQYZCORMZMV-GOSISDBHSA-N 440.979 4.521 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(C)(C)COC)CC1 1359162337 NAODQOQWCMSLPQ-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(SC)c1 1359254303 LWVCSXAASCYCDC-UHFFFAOYSA-N 446.580 4.640 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@](C)(O)c1cccs1 1359261720 SXYWGBCLIBBDLS-HSZRJFAPSA-N 426.561 4.532 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCCN2CCCC)C1 1359317793 QHFDZCJPFHEAGN-XZOQPEGZSA-N 437.632 4.689 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1359340136 CHTSJACTCXTVCR-LJQANCHMSA-N 440.642 4.717 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1359343445 TUOZOCZDVWBKSM-NRFANRHFSA-N 433.710 4.878 30 10 IJEE CC(C)(C)c1cc(NC(=O)C2CCN(Cc3ccccc3)CC2)n(-c2ccc(C#N)cc2)n1 1436221171 FSFVKLXUVWMWSR-UHFFFAOYSA-N 441.579 4.892 30 10 IJEE O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cnc(O)c(C(F)(F)F)c1 1446845930 NJPSYOBBIRWTML-NSHDSACASA-N 432.242 4.858 30 10 IJEE C=CCn1c(SCCC(C)(C)C)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 1458823019 PFNVUQQGEOYDCT-UHFFFAOYSA-N 436.647 4.690 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N(Cc1ccccc1)c1nc2c(C)c(C)ccc2s1 1460129293 DMCJBZLSTFOXLM-RTWAWAEBSA-N 435.593 4.770 30 10 IJEE Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)cc2)c1 1463087537 HPIRGSUMRDYELS-UHFFFAOYSA-N 437.543 4.817 30 10 IJEE C=CCOc1ccc(OS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 1463179595 GTCRMZRSLILBBR-UHFFFAOYSA-N 437.233 4.800 30 10 IJEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)cc2cccnc12 1465422091 AVYFRVYSIVTVLJ-SFHVURJKSA-N 446.322 4.573 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C[C@](C)(C(F)(F)F)O1 1465431255 BIPMALOLJVEKBU-HXUWFJFHSA-N 434.418 4.709 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1470309473 GIQUXQAFTLYXID-FYYLOGMGSA-N 439.600 4.615 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1470993170 ZZWVIWPVRYQFQA-HXUWFJFHSA-N 431.577 4.742 30 10 IJEE C=CCn1c(SC[C@@H]2COc3ccccc3O2)nnc1-c1ccc(Br)cc1 1472936591 XVLZWDQKROZBOW-INIZCTEOSA-N 444.354 4.826 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)NCC1(c2ccc(Br)cc2)CCCCC1 1475011167 GOVDRXSHELNJFS-UHFFFAOYSA-N 447.398 4.810 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)C1 1476495047 DZGAWJNRDVVUOV-QGZVFWFLSA-N 446.320 4.600 30 10 IJEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CC)CCCC2)C1 1501095907 AIEKKYDHXPCAQS-QFIPXVFZSA-N 448.615 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)CCC(C)C 1507516329 KLDGUMDPPCZZSA-QYXIYQDXSA-N 426.605 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1507797526 LVCPOSAPLVXSTH-XQFWAAQXSA-N 428.577 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1 1507799309 IZWWOMWEYPESDO-UZLBHIALSA-N 448.489 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1507805666 KUGUBYVRLKJLDI-SLSDLSHTSA-N 447.583 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCC1 1507805819 LIOOCXKEYAUJPG-CVDCTZTESA-N 445.007 4.833 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnc(C)s2)CC1 1507877552 KALYAIWCQUGKEL-UHFFFAOYSA-N 448.365 4.816 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1507897743 LCNBEEYBPUPZFB-DOTOQJQBSA-N 448.409 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1507911332 JQNCNJMVYXVSFG-DLBZAZTESA-N 430.618 4.895 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1)c1ccccc1 1507930745 ZQBSAVNWOKUZGS-FGZHOGPDSA-N 433.604 4.660 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCCCC1 1507967578 HVMSQJGETDGIKJ-GOSISDBHSA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@@H](O)C1 1508010605 BCYZOTNPRJRDMF-IEBWSBKVSA-N 428.627 4.736 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)cc1 1513636602 DFUYNAQEKUEJBY-FNZWTVRRSA-N 434.632 4.758 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc3cccc(Br)c3n2)c(OC)c1 1518075785 YFNXCAFGPRDYGS-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)c1 1520597365 APQNSUMBKAKCJM-IBGZPJMESA-N 431.588 4.588 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)cc1 1521967332 AHMNKAMIXCFFAB-UHFFFAOYSA-N 437.542 4.848 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2Oc2cccc(Br)c2)c1 1526133891 QXCWGXVQNJBBPU-UHFFFAOYSA-N 449.304 4.591 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 1527456451 VBHRTNVYSAHUQS-UHFFFAOYSA-N 429.557 4.560 30 10 IJEE C=CCOc1ccc(COC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 1528438829 RDJGOPOYURRPBZ-UHFFFAOYSA-N 436.533 4.569 30 10 IJEE Cc1nn(C)c(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1C#N 1531533447 BCWYMJYXTNCJBU-UHFFFAOYSA-N 431.927 4.828 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)cc(OC)c1OC 1534156311 DVMTWMVUXGIOOJ-OAHLLOKOSA-N 430.932 4.563 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc(OC)c1OC 1534966753 DADVMZPSALEFEW-UHFFFAOYSA-N 431.414 4.889 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1I 1535721919 LJPLSXUDMUVPIZ-OAHLLOKOSA-N 425.697 4.862 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 1538489348 MJAFJCLIDBJFOC-VQTJNVASSA-N 449.661 4.887 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(C)C)C1 1539049486 OPCAQELELHNCJS-QGZVFWFLSA-N 432.410 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1cccs1)N(C)C 1539546315 GNVOXHVQGJCHJP-AUSIDOKSSA-N 440.016 4.955 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCCC 1539622797 YAGUHWQPHWHIMW-PKOBYXMFSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733662 JJEZPLLDJKFUPH-KURKYZTESA-N 443.567 4.961 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCO[C@@H](c2ccccc2)C1 1539823552 FEAVTQDQEQMETI-NJDAHSKKSA-N 445.007 4.917 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCS2)CC1 1539855679 CHJMALHLODOLEX-GOSISDBHSA-N 449.418 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](OC)C1 1539910361 WHBFKYGKIXNXKR-FQEVSTJZSA-N 436.556 4.945 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1539910751 OBKIHDFQJKGLLT-JOCHJYFZSA-N 432.616 4.597 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1539981663 IDNSAUHDIVLSOZ-MPGHIAIKSA-N 442.457 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)COCc1ccccc1 1540051834 PWCYJJBLXICOQF-MRXNPFEDSA-N 444.377 4.511 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccccc1OCC(F)(F)F)C1CC1 1540101605 IJZDKFBHXKPUIJ-UHFFFAOYSA-N 432.446 4.991 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCSC1 1540189481 VFTHLTMAPBXQEH-HMXCVIKNSA-N 444.645 4.778 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12)C(=O)OC(C)(C)C 1542777463 AJFVFQUJTNZMEG-UHFFFAOYSA-N 449.482 4.975 30 10 IJEE C=CCC1(CNC(=O)c2cc(Cl)c(I)cc2OC)CCCC1 1544642938 RUVLLNQRYCLSLC-UHFFFAOYSA-N 433.717 4.820 30 10 IJEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)C1CCCCC1 1544802688 HIEWWLKRVRHUNH-UHFFFAOYSA-N 448.947 4.688 30 10 IJEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CC)CCCC2)C1 1547482352 AVHXHRIIJPBDLP-QFIPXVFZSA-N 434.632 4.955 30 10 IJEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)c1nccs1)C(C)(C)C 1554638351 DHOLWZRCSIVRGT-LPHOPBHVSA-N 438.601 4.574 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1555856903 HQXPNLYERYWGDG-AUSIDOKSSA-N 445.608 4.694 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1556360800 BVFJBFHNFPBPDG-MGPUTAFESA-N 441.450 4.869 30 10 IJEE C=CCCC1(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CCCC1 1557474403 FEAUFZFWPYWUNC-UHFFFAOYSA-N 434.583 4.511 30 10 IJEE CC[C@](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)(C(=O)OC)c1ccccc1 1562360288 DRSAEAHEMQIGKJ-AREMUKBSSA-N 443.503 4.993 30 10 IJEE C=CC[C@H]1CCN(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1563056228 BRGYPGHMDHNONK-LBPRGKRZSA-N 426.357 4.999 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1565445145 SGSPTUGMLHSQAW-GGAORHGYSA-N 439.600 4.889 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC)Cc3ccccc3C(F)(F)F)n[nH]2)c1C 1566057846 ODTWQCNKHGYFKK-KRWDZBQOSA-N 445.489 4.846 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(OCC)c(OCC)c1)c1ccc(F)cc1 1569485853 ISTHZVLNUMNTJT-QHCPKHFHSA-N 445.490 4.958 30 10 IJEE C=C[C@](C)(O)CC(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1586115518 QNCHGDRQWHVSIA-UGKGYDQZSA-N 432.358 4.923 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)cc1 1587054438 IZWOQYCVJQGWSP-DNQXCXABSA-N 448.563 4.612 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(c2cccc(C#N)c2)C2CCC2)nnc1-c1ccco1 1587314382 OIMAUSHTENYLQX-UHFFFAOYSA-N 433.537 4.664 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1587592611 DYWZXVHCIJSFSF-LJQANCHMSA-N 449.599 4.533 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCC1CCC(OC)CC1 1587679128 XTWHEBOQCLBICS-XEVCZEQESA-N 442.629 4.632 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)C1 1587996899 AFIARAVSUGSNPW-LBPRGKRZSA-N 441.391 4.800 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1589545629 OHLBUOKBTNYKNW-QZMQVMSPSA-N 430.543 4.860 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2CCOCC2)CC1 1594202543 RWFWENPEEMPVBK-UHFFFAOYSA-N 432.515 4.766 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2OCC)CC1 1594616280 POPDMQAFVFONHH-QHCPKHFHSA-N 439.604 4.601 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@H]21 1594616510 QNKJXJXYVMWZLB-XUVXKRRUSA-N 429.609 4.738 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1594720835 YAAKMLWFYUYYLC-BEFAXECRSA-N 447.461 4.722 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N(C)C1CCCCC1 1594894826 AKINAKHMNCWTQJ-UHFFFAOYSA-N 441.645 4.689 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)Cc1ccccc1)C1CC1 1595038328 UBVPSRXDHAFCPS-GOSISDBHSA-N 436.991 4.669 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC)c(OC)c1Cl)C1CC1 1595054126 BDNAJYBUUJPVBN-IBGZPJMESA-N 446.979 4.588 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@@H]1C 1595243786 FEPMLLLYZVFECK-UUOWRZLLSA-N 440.975 4.978 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1595434522 DJSJOIIKGBFGEE-QFBILLFUSA-N 431.378 4.965 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1595838205 NGTWQFVKURSBCH-SFHVURJKSA-N 440.535 4.917 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CCCN1C(=O)OC(C)(C)C 1610984793 ZEUDURAQSJEFEJ-NRFANRHFSA-N 446.960 4.590 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1615366751 GDPONPQDKLQIPY-PGRDOPGGSA-N 447.612 4.557 30 10 IJEE C=C(Br)CN1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1620606955 FPMJZJCHOHLBSA-SJORKVTESA-N 437.378 4.525 30 10 IJEE COc1ccc(Cl)cc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 1621814388 FGODRYHESBOCPW-GOSISDBHSA-N 427.353 4.939 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C(F)(F)F)cc1 1621949766 XBMAVQMXOVYJSB-KRWDZBQOSA-N 428.432 4.908 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 1623847926 ORPYJFUOUFFJDJ-YKSBVNFPSA-N 432.609 4.842 30 10 IJEE C=C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)c1ccccc1 1626406062 TYDDTRBHFMMYCX-GOSISDBHSA-N 427.342 4.596 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 1626498033 XFPNBAIAKHKVOC-IBGZPJMESA-N 433.618 4.736 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](CCC)C(=O)Nc2cccc(N3CCCC3)c2)c(Cl)c1 1627810412 BFOVEWDRDRDDEW-JOCHJYFZSA-N 438.959 4.850 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3ccccc3OC)cs2)CN(C(=O)OC(C)(C)C)C1 1628364444 SKOVIAQQTAVHOP-UHFFFAOYSA-N 429.542 4.570 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(-c2cc(C)ccc2F)cc1O 1629600366 CGTNQLMIQMPDCP-UHFFFAOYSA-N 446.276 4.605 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(F)c(F)c1 1634434568 DOFCJGPELLPDOY-ROUUACIJSA-N 432.433 4.973 30 10 IJEE C=C[C@@H](C)ONC(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1639677957 JKXFLVIYYCBTEF-OPAMFIHVSA-N 440.927 4.659 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CC1 1644943032 PMVBMPYYVBPHPA-UHFFFAOYSA-N 438.597 4.901 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)Cc2cc(F)cc(OC)c2)cc1OC 1651201864 AXMTWQFVQAKDIE-CQSZACIVSA-N 438.337 4.891 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CC[C@H](C(F)(F)F)O2)cc1OCC 1663255686 LFLVJPLQXDMROL-CZUORRHYSA-N 438.284 4.612 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCCOC)c(Cl)c1)c1ccc(Br)cc1 1668288364 LNGCRSIMMVYCDZ-QGZVFWFLSA-N 437.721 4.624 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(Br)c4ccccc34)CC2)cc1 1669705111 DHIAAPHGNQKQRP-UHFFFAOYSA-N 449.352 4.824 30 10 IJEE CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1671424701 FDGRMMQSHQFFMN-RSXGOPAZSA-N 430.596 4.782 30 10 IJEE C=C(C)[C@@H](NC(=O)N(Cc1ccccc1OC)C[C@H]1CCCO1)c1ccc(F)c(F)c1 1671852090 QEQXIQGFOXKDNH-AUSIDOKSSA-N 430.495 4.981 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1672212672 SQWXQTJKHLRONC-DFQSSKMNSA-N 431.374 4.886 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC 1683069274 VJGLDNJYZZQSSI-QHCPKHFHSA-N 435.568 4.660 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)cc(OC)c1OC 1683367225 KJGJPJSEWGKMEZ-FQEVSTJZSA-N 446.588 4.618 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCC1 1690058896 DKLAWDNUQZFCQT-IBGZPJMESA-N 444.023 4.632 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)[C@@H]1C 1690157668 MGMAKTYVIZUZIJ-SLFFLAALSA-N 444.670 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1F 1690250900 MTXGMELBWOUSAV-UGKGYDQZSA-N 426.561 4.687 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690380785 URIQBVHLFHTMMG-DNQXCXABSA-N 435.660 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1690426749 ZHFGSWVQNYOHBE-QFIPXVFZSA-N 436.648 4.891 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 1690447177 LKHALZMFFFFPOW-IFMALSPDSA-N 438.616 4.710 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1690515781 UJTDSXJOFFUBHN-APWZRJJASA-N 432.515 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCc1csc(C)n1 1690579675 QSKBBYBLEDPBQG-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC(F)(F)C1 1690604108 PJRLIGRTDWEDDA-QFIPXVFZSA-N 437.538 4.934 30 10 IJEE CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CCCC1 1692870011 FQHXPGZAEPCGJZ-NRFANRHFSA-N 448.615 4.528 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C1 1694857206 ICAAANUFXFHSLK-KRWDZBQOSA-N 436.947 4.571 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705521022 NZTJHNOKGKUDAF-JTHBVZDNSA-N 449.643 4.631 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C)c1nc(C)cs1 1705590774 VXVYJVJLRPPCSF-HXUWFJFHSA-N 443.620 4.780 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]2CCC[C@@H]21 1705656453 YBSLPGMTLUOBOK-LPHOPBHVSA-N 431.005 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(CC)Cc1ccc2c(c1)OCO2 1705693354 FOWGKIQILCQQTA-KPLVRAHFSA-N 426.561 4.528 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1705712363 QZPNSEWNPBVJNN-NTKDMRAZSA-N 428.577 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1OC1CCCC1 1705719346 UVABEIRTYBCMQG-UHFFFAOYSA-N 448.615 4.912 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705747146 GTWGYXIHBYZVKL-BBTUJRGHSA-N 446.979 4.575 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705786219 IYPHJIPZTPUMLY-OALUTQOASA-N 443.640 4.784 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(Cn2ccnn2)CC1 1705786300 KVQPATJFEXXWCZ-HSZRJFAPSA-N 447.631 4.930 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCc2ccc(Cl)nc2C1)c1ccccc1 1705798444 SCLLBZBEJZMUJZ-FQEVSTJZSA-N 437.975 4.786 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705801025 QNRPJKNOUBFCNC-ZWKOTPCHSA-N 430.980 4.826 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1ccsc1 1705865839 YPHGJZHHDKFORW-JOCHJYFZSA-N 439.610 4.507 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCCC1(C)C 1705869729 CCBWUFNLXGMPJG-HOYKHHGWSA-N 428.552 4.677 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC(c2cnn(CC)c2)CC1 1705910678 JYUMENSUHWKHPO-UHFFFAOYSA-N 434.588 4.615 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCO[C@@H]2C(C)C)C1 1705918466 JYGVOUIESYGYLO-WOIUINJBSA-N 445.007 4.831 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705948606 YWDWQKJDMJMUSL-KSEOMHKRSA-N 426.630 4.834 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(F)(F)CC2)n1 1706267430 CSMPOWCELKICFY-UHFFFAOYSA-N 428.512 4.680 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCC2(C)C)c1 1707332967 BAIILCNPRMVBGR-NTKDMRAZSA-N 425.552 4.742 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)c1nccs1 1722311182 SFIAHLBRSIJIAK-CQSZACIVSA-N 447.406 4.536 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)c1ccccn1 1722473325 SKXUMLDCJHFGRF-RUZDIDTESA-N 435.522 4.512 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(C)C1 1722494015 LPWMXZZBNROEAY-FYYLOGMGSA-N 449.599 4.675 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(SC)CCN(C)CC2)CC1 1722561208 PMTNPXVAQGVLFQ-UHFFFAOYSA-N 432.037 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C)CC1 1722585384 YKNYVHDVOBZWAB-UHFFFAOYSA-N 428.577 4.810 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1722595982 ADDRMFRLDIGQCW-IZZBFERCSA-N 430.543 4.869 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C(C)C)CC1)c1ccccc1 1722596726 MXLRJDIRAYZIQK-HSZRJFAPSA-N 435.641 4.821 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1722617645 OGSWXOBSLCWYED-WIOPSUGQSA-N 431.584 4.834 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)c1ccc(C)cc1 1722622071 IHBYXYIDKNZUIH-UHFFFAOYSA-N 430.350 4.705 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(N(C)C)CCCCC1)C1CC1 1722645947 BBOMWXALYUVOON-LJQANCHMSA-N 441.595 4.977 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCCN(C)C(=O)OC(C)(C)C 1722658262 CEIVTYXXKCGECB-UHFFFAOYSA-N 445.583 4.990 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCO1 1740580368 WFSYUFLWLAMSPC-QGZVFWFLSA-N 437.371 4.583 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@H](SC)C1 1740721683 QCUKIFYVGPWBIN-FQEVSTJZSA-N 444.670 4.562 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1740783335 ALPRYFOEJZRYTF-LAUBAEHRSA-N 432.996 4.689 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1740803615 LAXAXXHNMHQKFM-KBXCAEBGSA-N 444.004 4.991 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1740814905 HKDKQKJJAZZJRM-RBUKOAKNSA-N 434.943 4.533 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCOC1 1740854885 AMNIFYNEONDROB-DEOSSOPVSA-N 444.645 4.610 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1740855110 LKQQUYFMZIEZOU-YADHBBJMSA-N 435.572 4.773 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1CCCCO1 1740894670 CLZDOTBVIXRDAO-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCC2(CCCCC2)O1 1740894692 DGJWUEOLLVXURO-HXUWFJFHSA-N 440.588 4.857 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCS1)C1CC1 1740906621 JKDILDQFPFOUAZ-IBGZPJMESA-N 428.602 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCO[C@@H]1CCCC[C@@H]1C 1740923640 QXMZUERGHOUARW-QKNQBKEWSA-N 430.618 4.631 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1748721795 OGMMVOAYDYSQJZ-DEOSSOPVSA-N 430.543 4.592 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1748753287 CVBJWXYPWKXAKO-JOCHJYFZSA-N 436.991 4.591 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCCCN1CCCCC1 1748872751 FGGXOUCAQLTVPS-UHFFFAOYSA-N 443.595 4.810 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1749047495 XSIYFJUIJYCPBU-HXUWFJFHSA-N 440.544 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1749072032 CKPVYPPKNLFKBT-JYFHCDHNSA-N 447.652 4.788 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOCc1ccccc1 1749131423 RWTVHAWKKVAXJN-GMAHTHKFSA-N 426.605 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C)CC1 1749136810 SCFSUNTWCVIKFW-LFAGZIFBSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(c2ccccc2C)CC1 1749144351 XYSDYJYTBGQQGF-AREMUKBSSA-N 438.616 4.761 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1749203578 CGMWHNYXCKCWOZ-HXUWFJFHSA-N 449.418 4.529 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCC(Cl)=C(Cl)C1 1749281608 IGDHRPLVWSQTAH-UHFFFAOYSA-N 443.762 4.908 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749434131 ITWLQMNWCXNRSU-OAQYLSRUSA-N 437.613 4.762 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1749545161 VWHITXXESBJRRN-NZQKXSOJSA-N 444.595 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1749553048 DURMVOKDEFQABU-GOSISDBHSA-N 433.622 4.644 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1CCN(C)C(=O)OC(C)(C)C 1749584815 RWLVCNYEJYHKER-UHFFFAOYSA-N 439.604 4.648 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 1749614108 RVAIEGCNAACVKR-LBPRGKRZSA-N 425.758 4.551 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1749745653 CRLPFBSYBGBJFQ-AZUAARDMSA-N 427.574 4.932 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1760152848 ATQGMZQNLGPAEA-QHCPKHFHSA-N 433.556 4.657 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC=CCC1 1760213566 HKEXGTVYMFOTGJ-QFIPXVFZSA-N 440.547 4.936 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1cccs1 1760229497 UEUUNUOKFKAYBK-HXUWFJFHSA-N 435.380 4.681 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCN1CCCC(C)(C)C1 1760241498 BCWFNBLHNYAYTB-UHFFFAOYSA-N 439.623 4.768 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCC)C1 1760276939 UJZZMANOHPTXNU-INIZCTEOSA-N 439.412 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCC(C)(C)C1 1760291318 KHMUJNDACMFLML-XMMPIXPASA-N 443.998 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1760298407 HEHQMEHBPWUIIV-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1760303914 CFHPVCRHPXYZKI-UHFFFAOYSA-N 432.124 4.892 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1760387070 FMHRFIIZBQHQSJ-JOCHJYFZSA-N 440.588 4.912 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCN(CC)C2)CC1 1760397641 YVDBRDQNWYLFQL-FYYLOGMGSA-N 437.632 4.779 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1760399393 KXAJCSUSCUETNC-AZUAARDMSA-N 440.588 4.570 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCn1cc(C)cn1)C1CC1 1760476015 DAAKSPSQIGKDKY-UHFFFAOYSA-N 434.588 4.515 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)s1 1760485759 PLRQWCHVJHGABE-JOCHJYFZSA-N 444.626 4.603 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC1 1760488834 GQELFMHOTMQJLI-RTBURBONSA-N 430.980 4.903 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1760564144 QKNYRRYEADEHKF-HXUWFJFHSA-N 437.588 4.776 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)C[C@@H](C)O1 1765307471 HXQONEJZORTQHN-TZIWHRDSSA-N 437.588 4.559 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1)C1CCCCC1 1766959048 AKAATKURWFCBRK-UHFFFAOYSA-N 448.571 4.937 30 10 IJEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1772515793 TWEZBFNNFBKPIX-UHFFFAOYSA-N 432.597 4.503 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861762909 AONFRCAHFFVUTL-WQEMPZKUSA-N 430.589 4.638 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CC2)cc1OCC 1862497547 MVPMKXURWLXTAO-QHCPKHFHSA-N 435.520 4.842 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2cccc(O)c2)cc1 1862507504 MVUOBPUADLSKBP-DEOSSOPVSA-N 445.490 4.969 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862559658 UEOKBBSEUBSSIU-JOCHJYFZSA-N 448.519 4.658 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862661487 CBNADXWMEIIXFV-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(C(=O)OC)cc1 1862720284 VCUMYIBODPDJMQ-JOCHJYFZSA-N 429.472 4.615 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862736814 OUZXFMNTAVWYFB-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(Cl)cc2)C1=O 1863535587 LPASLQVZLUCNOO-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN2CCc3c(F)cccc3[C@@H]2C1 1868095557 GIMUMMFGBRNKMF-SFHVURJKSA-N 446.366 4.919 30 10 IJEE C#CCOc1cn(Cc2ccncc2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1871007228 RPUJLQTZJFLJNB-UHFFFAOYSA-N 437.499 4.708 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccccc1C 1871251328 YMDCPAIBCHKXBV-UHFFFAOYSA-N 431.536 4.646 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871369916 ABLFHFXSQDTWGF-QRVIBDJDSA-N 430.456 4.913 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871442477 ORRUNDYZWTYMRV-MFOYZWKCSA-N 426.881 4.739 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(=O)(=O)CC 1871796133 RCFFHNZFCZKDEV-LJQANCHMSA-N 441.380 4.901 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872488526 IFHMVFSZRYUAQE-SFHVURJKSA-N 434.989 4.859 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)cc1 1872764124 DINXSCGBHIPDQQ-NRFANRHFSA-N 447.560 4.985 30 10 IJEE CC(C)c1ccc(-c2csc([C@@H](C#N)C(=O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 1872775844 BURFBGRTZXBABX-SFHVURJKSA-N 442.544 4.979 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nnc(SC/C=C/c2ccccc2)s1 1873437066 VABRKCVVQBCFPS-DHZHZOJOSA-N 439.562 4.926 30 10 IJEE N#Cc1ccc(Nc2[nH]c(=NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)cc1 1873477461 NWZINOORIDTZAB-UHFFFAOYSA-N 435.466 4.604 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2/N=C/c2ccccc2Cl)cc1OC 1874197331 FHBFJQQURKJYFT-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(Cl)c1 1874382458 QIKBQNWAGUJKCP-ZMOGYAJESA-N 446.935 4.589 30 10 IJEE CC(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874489335 MFZJKPFXOSGPNF-ZMOGYAJESA-N 426.517 4.561 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2c(F)cccc2Cl)nnc1C1CC1 1874522647 DVUCCNVMSGRYOS-AUEPDCJTSA-N 430.892 4.821 30 10 IJEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc([N+](=O)[O-])cc1 1874610620 BRPOLSPYLIZFES-VGOFMYFVSA-N 427.416 4.719 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(OC)c2)cc1F 1874623732 RVCDQGXCJYFIBC-DHZHZOJOSA-N 441.499 4.567 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1cncc(C)c1 1875099645 RGWORZOOUXFFGX-RMKNXTFCSA-N 447.487 4.921 30 10 IJEE N#Cc1cncc(C2=CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 1890013185 WKPZIUSODIHASE-UHFFFAOYSA-N 425.332 4.920 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)c(Br)c3)cc21 1890561472 HBCBHTGNUNYEDD-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cccc(Cl)c2Cl)[C@H]1c1ccc(C#N)cc1 1890577640 ALHRUVJBXGEEOW-WOJBJXKFSA-N 448.375 4.897 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1902272909 ZBMFHGBUZVJKOX-UHFFFAOYSA-N 441.462 4.707 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cccc1Br 1931397918 NQUBJYHATAKLFW-CYBMUJFWSA-N 428.124 4.647 30 10 IJEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2014634487 FXBOIZOOLUHEJC-KKSFZXQISA-N 436.557 4.852 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(Br)cc1F 2102885238 KTESSTUDOHLXQL-WBVHZDCISA-N 431.321 4.685 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNc1ccc(C#N)c(Br)c1F 2106091869 UPUCSPDEEJIXRM-GXTWGEPZSA-N 426.330 4.765 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(C#N)c(Br)c1F 2118157027 QYXWGJKZKFJZCB-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CN(C[C@@H]1CCCCN1c1cc(Br)cc(F)c1C#N)C(=O)OC(C)(C)C 2118187890 NYXDUVHHBOFRFE-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)c(Br)c(F)c1 2142154546 BXAUUPUKINZSFW-WBVHZDCISA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC1CC1)c1ccc(Br)cc1C#N 2174811951 FFAPLPILVGYUPK-SFHVURJKSA-N 434.378 4.937 30 10 IJEE CCC[C@@]1(C(=O)Nc2cc(Br)ccc2C#N)CCCN1C(=O)OC(C)(C)C 2181136565 ISLAMGPVJHYKRT-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC(=O)Nc2ccc(Br)c(C#N)c2)CC1 2205426664 XZLLGMNFFPNHIB-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CCN[C@@H](C#Cc1ccc(C)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2223316527 SNDLNWOCRSHGHR-GVXSCFBNSA-N 436.596 4.823 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1ccc(C#N)c(Br)c1 2226201445 MMJVCSCZSGDMBH-AWEZNQCLSA-N 430.293 4.767 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)o1 2227506944 TZLXYOUYJIDNSS-LBPRGKRZSA-N 447.952 4.879 30 10 IJEE Cc1cnc(NC[C@]23CCC[C@H]2CCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241049375 MLVXYUBOXYCTPM-WXVAWEFUSA-N 447.432 4.546 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 2253868184 HMNWXHUHNMWHGD-JLHGSKIFSA-N 448.568 4.996 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 2258334782 SPPVHDNYEDKPOM-IRXDYDNUSA-N 443.544 4.586 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2278270879 AUGKDRSAFDTYOY-BBRMVZONSA-N 445.423 4.867 30 10 IJEE O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296116250 WOPTWPFWTIOJOD-HNAYVOBHSA-N 432.303 4.594 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](N)(C#Cc2ccc(Br)cc2)C12CCCC2 2296219890 SKYNAUGKJYMCAQ-OAQYLSRUSA-N 433.390 4.842 30 10 IJEE CCN=C1SC(=Cc2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C(=O)N1CC 2297316921 VVMQZPKUIXJZLP-UHFFFAOYSA-N 446.576 4.901 30 10 IJEE COc1ccc(N=C2Sc3nc4cc5c(cc4cc3CN2C[C@@H]2CCCO2)OCO5)cc1 2297706545 IUPXBUAVRYHPMA-IBGZPJMESA-N 449.532 4.747 30 10 IJEE CCN[C@H](C#Cc1ccc(C(F)F)nc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2301931455 UHRORZONAYNSFN-HXUWFJFHSA-N 429.511 4.786 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2305317185 SQCXMSKYWTVHHG-HULNYRCFSA-N 428.573 4.601 30 10 IJEE Cc1csc(N=C2SC(=C3C(=O)N(C)c4ccccc43)C(=O)N2C2CCCCC2)n1 2314544339 ZBXXEOJEYFDWQA-UHFFFAOYSA-N 438.578 4.735 30 10 IJEE CCCOc1cccc(C=Nn2c(CC)nnc2SCC(=O)Nc2ccccc2C)c1 2320974061 TZBWCLFPWJEFBH-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nncn2N=Cc2ccc(Cl)cc2Cl)c1 2321218468 UXOIXCFNMAXSBT-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)c(OC)c1 2323283549 HMDUYTDJIKVFHX-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 2323369802 QAWPAQVDZQTZMT-GOSISDBHSA-N 430.460 4.747 30 10 IJEE CCCOc1c(OCC)cc(C=Nn2c(S)nnc2C2CCCCC2)cc1[N+](=O)[O-] 2323482788 JZHGHKSFAMIJFI-UHFFFAOYSA-N 433.534 4.592 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325235123 RVPSPGMNPOTCOU-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc2c1C(=O)C(=Cc1ccco1)O2 2325263647 UGCCGACIFDKAEC-UHFFFAOYSA-N 435.388 4.558 30 10 IJEE CCOc1ccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SC)cc1 2326043253 WXNVQTHENVNHSZ-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCN[C@@H](C(=O)C=Cc3ccc(C(C)C)cc3)C2)cc1 2328249317 SLRDAOHAGCXSBU-JWQCQUIFSA-N 446.591 4.601 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccn1C 2328445479 DOUMKYBCBASNCA-UHFFFAOYSA-N 446.536 4.599 30 10 IJEE COc1cccc(C=NNc2ccnc(Cl)n2)c1OCc1ccc(Br)cc1 2328841478 CRYIIDSOZRDLMP-UHFFFAOYSA-N 447.720 4.926 30 10 IJEE CCC(=CC(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(OC)cc1 2329551945 OOXLJWVXNQWKHJ-SANMLTNESA-N 439.515 4.856 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccccc1Cl)Nc1nccs1 2331061338 DPISXOIPJXKSQM-UHFFFAOYSA-N 446.989 4.659 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)C(F)(F)F 2331175723 IOEVVDXZXNOQFF-UHFFFAOYSA-N 429.188 4.822 30 10 IJEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)c1cnccn1 2331552781 CSPBSODBVJBNDQ-UHFFFAOYSA-N 446.503 4.907 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(Cl)cc1 2331687362 VRLVLFJTRGVUHS-UHFFFAOYSA-N 427.961 4.976 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C1CCCC1 2331894130 IWILQMBLLVEBGM-UHFFFAOYSA-N 440.492 4.713 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@H](N)C#Cc3cccc(Br)c3)(C2)C1 2360195124 YEHRNVCLDKNJIZ-SFGWALBWSA-N 433.390 4.555 30 10 IJEE Cc1cc(CN[C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676135 RPDJYURQGAMLRP-RUZDIDTESA-N 446.444 4.581 30 10 IJEE Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)Nc4c(C#N)cnn4C)c23)cc1C 16893082 OPPDVJKAQOFHEN-AWEZNQCLSA-N 448.577 4.700 30 10 IJEE Cc1c(Cc2ccccc2)sc(N/C(S)=N/C(=O)/C=C\c2cccs2)c1C(N)=O 33533267 KTQIOXLDULHRKN-KTKRTIGZSA-N 441.603 4.745 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCOC)cc1 34943669 JTMQNCWBHCYSQH-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE Cc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)cc1C 38623067 VBENYKZFIQWDNE-RBUKOAKNSA-N 430.504 4.610 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2cccs2)C4=O)cc1OC 41653895 UPPWATGHKOJDOX-QRVIBDJDSA-N 449.528 4.776 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 63392738 XZSPTHDZXFKKGK-UHFFFAOYSA-N 444.919 4.854 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 64473536 KGADBZNWZJUKCQ-UHFFFAOYSA-N 434.927 4.932 30 10 IJEE O=C(Nc1cc(F)cc(F)c1)N1CCC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96309844 ZGNZBCJOLZOSGE-QHCPKHFHSA-N 440.498 4.605 30 10 IJEE biogenic C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(F)cc1C 101188655 SLVWAURKRMYIQP-UHFFFAOYSA-N 440.544 4.838 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)o1 102483006 LSSLWGZZRFZJLO-LAFOYAEKSA-N 434.448 4.963 30 10 IJEE CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccccc1Cl 169939051 QVWCFQMQSDLPOI-NRFANRHFSA-N 430.957 4.700 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)c1 169960590 VKDGSOAWGWREOK-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169964340 WPASXALCCIKEMX-HSZRJFAPSA-N 442.446 4.791 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 169975663 XHXMRMOORKOCSD-QHCPKHFHSA-N 434.580 4.686 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCC[C@H](C)C2)C1=O 170051491 ISIGUTNUKWMHCX-IBGZPJMESA-N 439.600 4.817 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)c1 170081121 KTJPJOIXSZFCKR-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC)c1 170112101 YRVBTGXIJGHGJB-QHCPKHFHSA-N 448.519 4.572 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C2CCCC2)cc1 170116947 CUDRXQOLDGDTSH-JOCHJYFZSA-N 435.520 4.842 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)c1 170156266 XAPDWAVWOPOIRJ-NRFANRHFSA-N 433.485 4.877 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccn2)c1 170169366 VBDIVSZGCBNXSB-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccn2)cc1C 170175240 NUQZOZFCMDYKSZ-HSZRJFAPSA-N 444.487 4.586 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccncc3)oc12 170199434 RJZDYHHYVGBZLS-NRFANRHFSA-N 444.418 4.758 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1C 170272220 NICOBJDNRDWZED-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC 170436362 XUJPBQAMCHETFD-HXUWFJFHSA-N 439.508 4.536 30 10 IJEE N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)COc3ccc(-c4ccccc4)cc3)CC2)nc1 238903566 RRIJPSNHJGNPEG-HCGLCNNCSA-N 427.504 4.505 30 10 IJEE C=CCC[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1ccc(C(F)(F)F)cc1 441577243 BKRHWKJHPBWMOA-GOSISDBHSA-N 430.430 4.907 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC2(CCOCC2)c2ccccc21 460380816 PDEBAEVMQLOKCX-UHFFFAOYSA-N 446.551 4.642 30 10 IJEE N#Cc1ccc(N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1C(F)(F)F 480109055 XMASTCQDUBBEKU-KRWDZBQOSA-N 439.441 4.936 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCC(F)(F)C3)cc2Cl)cc1 491663475 JVWBULXETYIKPX-OAHLLOKOSA-N 433.842 4.637 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cc(OC)ccc2OC)cc1 526605044 SOJYVRBIRMSDFR-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(OC)c(OC)cc1OC 526807749 GDZZRDOBVHZMFO-OYKKKHCWSA-N 440.569 4.739 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)Cc3ccc(Cl)c(Cl)c3)c2C#N)C1 526858242 KZVQRHCEBHNXOX-RNUGCUGFSA-N 441.405 4.939 30 10 IJEE N#CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(I)cc2)cc1 536078920 ZXUIZQPBQNDVES-GOSISDBHSA-N 431.277 4.726 30 10 IJEE C=C(C)Cn1c(N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)nnc1C(C)(C)C 555263924 DUROJBAVGADQKJ-LJQANCHMSA-N 427.980 4.757 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2ccc(F)c(F)c2C1 565802798 IPQWOALPEUQMGU-UHFFFAOYSA-N 428.508 4.606 30 10 IJEE C=C(C)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586239424 INRIMXMEDGEECN-UHFFFAOYSA-N 428.337 4.942 30 10 IJEE COc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(C(F)(F)F)n1 669991344 MXXMRULYILKTEO-YUMQZZPRSA-N 439.278 4.704 30 10 IJEE Cc1cc([N+](=O)[O-])c(C#N)cc1NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705853835 ROQWMJMWWGMXJC-UHFFFAOYSA-N 442.519 4.658 30 10 IJEE C=CCN(C(=O)/C=C\c1cccc(OC2CCCC2)c1)c1nc(C(=O)OCC)cs1 727667834 SHTNNKQSSOOAQY-SEYXRHQNSA-N 426.538 4.874 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)ccc1OC 779914927 YYLHDBQZLUPYSY-OAHLLOKOSA-N 443.475 4.708 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1124307491 FTGDLPQUKSLOKK-WEVVVXLNSA-N 436.489 4.764 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)CCCN1C(=O)OC(C)(C)C 1127824480 VIRMMZUBIGRRAG-VWLOTQADSA-N 438.572 4.602 30 10 IJEE C#Cc1ccc(NC(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)cc1 1134713266 UKRMHZHVCIFAHV-UHFFFAOYSA-N 447.354 4.995 30 10 IJEE C=CCN(C(=O)c1cc(Br)cn1C(C)C)[C@H](Cc1ccccc1)C(=O)OCC 1138239359 YPHKQVVDTQJBKW-HXUWFJFHSA-N 447.373 4.634 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(Oc4ccc(C(C)C)cc4)CC3)n[nH]2)c1C 1141829435 LUIWSVULCAGVOB-UHFFFAOYSA-N 447.583 4.883 30 10 IJEE COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 1147517852 HVHMODJQODAMBR-AUSIDOKSSA-N 437.971 4.670 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2cc(Cl)ccc2Cl)CC1 1171741346 NLUBKRKGCNWUFA-INIZCTEOSA-N 438.424 4.780 30 10 IJEE C#CCOc1cccc(Cl)c1CNCCC(=O)Nc1ccc(Br)cc1C 1180768905 LILRTPUWJTUMPF-UHFFFAOYSA-N 435.749 4.541 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCCC1(C)C 1189785674 WLYLKTQPYJKVKP-OAQYLSRUSA-N 430.545 4.833 30 10 IJEE O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCc2ccc(C(F)(F)F)cc2C1 1193508080 FDPGJNGWMRCFRW-UHFFFAOYSA-N 427.341 4.610 30 10 IJEE Cc1oc(NC(=O)CN2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)c(C#N)c1C 1194940813 ARPFNFQASVPSLZ-RUZDIDTESA-N 448.611 4.863 30 10 IJEE Cc1nc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)sc1Cc1ccccc1 1220019125 DATTUXJDWKCIBL-UHFFFAOYSA-N 447.564 4.821 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1248611173 FVBIURHCEPNFPW-UHFFFAOYSA-N 443.588 4.574 30 10 IJEE C#CCSc1ccc(COC(=O)c2nn(-c3ccccc3)cc2Br)cc1 1269314605 OWBOWYHILFCQJI-UHFFFAOYSA-N 427.323 4.717 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1286316953 NFXFUZBWCVFLCT-FPOVZHCZSA-N 440.563 4.614 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286341905 JZKOLSLJWQCALG-UUOWRZLLSA-N 428.552 4.612 30 10 IJEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(C)(C)c2cccs2)CC1 1286472374 HCRASMXCUYJCJF-JOCHJYFZSA-N 447.652 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1sc(C)nc1C 1286518760 JMOYCWCUXDLRJW-WAIKUNEKSA-N 439.560 4.671 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)CCC(C)C)CC1 1286663725 HTIOYTMZZTUTNE-RUZDIDTESA-N 426.605 4.755 30 10 IJEE CC(C)COc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(CC#N)CC2)cc1 1287814437 HEYBXBHALILNGV-UHFFFAOYSA-N 430.556 4.553 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)C1 1287978689 DDXWSTTVOQBNOW-NTKDMRAZSA-N 441.023 4.849 30 10 IJEE C[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)N1CCCCC1 1288559741 CHMQUZXRZRKQKY-SFTDATJTSA-N 434.632 4.954 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(I)c(C)cc1C)c1ccccc1 1289586714 MJBAYIKRQBJBEE-HSZRJFAPSA-N 439.318 4.761 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1292520984 BIKAKGYROBNGOH-LJQANCHMSA-N 437.927 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCC[C@H]1CC 1300284254 QQMMNKJURAHSTN-SVFBPWRDSA-N 439.673 4.854 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CCC)CCC1 1300642987 FKWBRDHIRHCHGV-IBGZPJMESA-N 429.609 4.780 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCCC(C)(C)C 1300656383 GCZKNMBZSXCSOY-UHFFFAOYSA-N 439.423 4.681 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1300765728 JGUVAFQBFNJETR-UXHICEINSA-N 449.089 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)CCOC 1300786761 HRXMUFUCQCCHJJ-MHECFPHRSA-N 428.552 4.612 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1300844467 OMSGGODJXYLIIU-HXUWFJFHSA-N 445.405 4.682 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@](C)(O)c2ccsc2)CC1 1301095761 ODUIMPQFVUXIAD-DEOSSOPVSA-N 438.597 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301155778 VCRKROXBDCJONX-SFHVURJKSA-N 445.633 4.636 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1ccsc1 1301272129 BZBFDJKHWADCFS-FDDCHVKYSA-N 426.586 4.626 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCOC[C@H]1C)C1CC1 1301316230 IQBREVCKUBAGIX-HUUCEWRRSA-N 449.368 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ccc(OC)cc1 1301365654 UZJQQUPEWOPCDT-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]1CSC 1301602633 UBMOEEUGQYDIJS-GOSISDBHSA-N 425.627 4.744 30 10 IJEE COC(=O)[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(C(F)(F)F)cc1 1308964485 CTQMFXKILHZVSZ-INIZCTEOSA-N 439.327 4.790 30 10 IJEE Cc1c(S(=O)(=O)N2CCc3ccc(Br)cc32)sc2ccc(C#N)cc12 1309171241 AENGWDZHYXZKKX-UHFFFAOYSA-N 433.352 4.595 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 1309283626 HGLAGOWJODMFBO-UHFFFAOYSA-N 426.847 4.708 30 10 IJEE C#CCOc1ccc(NC(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 1310303480 RGZQTDQFRIFJKX-SFHVURJKSA-N 435.524 4.749 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 1310323674 WNRVIDVTUQPGFF-UHFFFAOYSA-N 448.239 4.641 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 1313240027 RSIDXYQYKLRBGS-QFIPXVFZSA-N 440.588 4.573 30 10 IJEE C/C(=C\C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cccc(F)c1 1318393284 FIDNWVDYMWDXTI-VMPITWQZSA-N 428.329 4.636 30 10 IJEE CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1351716267 AFMPKWOLRWCVES-UHFFFAOYSA-N 428.370 4.810 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCC(C)C)ccc1Cl 1353516977 YVJSHGQEJIOTSB-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C=CCN(C(=O)CCc1cn(C)nn1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1355335695 QRHNFTUXQDAYBQ-UHFFFAOYSA-N 429.549 4.757 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CCCC)c1ccc(C(F)(F)F)cc1 1357299025 YLYIHGNPPUKPFG-MSOLQXFVSA-N 428.520 4.921 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 1358414624 JRQVCBOFUDPTLM-BDJLRTHQSA-N 447.347 4.645 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1O 1358907543 SGXYDQLYIRSAHX-UHFFFAOYSA-N 445.386 4.915 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1358939335 UXVWYGAFADAXNA-DBXWQHBBSA-N 442.579 4.856 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CSc2ccccc21 1358998838 VLZHYWHUNJETRV-XKCSPQBFSA-N 448.636 4.549 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2[nH]c(C)c(C)c2c1 1359014518 LTGZYGRLEFOKJG-NFBKMPQASA-N 433.600 4.803 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1ccc(N2CCCCC2)nc1 1359015531 WUOIPEAPMBRGDD-UHFFFAOYSA-N 446.574 4.614 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCCOC1CCCCC1 1359016230 UQMWAACEEDGDDW-UHFFFAOYSA-N 447.558 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1359116392 JLGIDGUCAKIYHG-NLFFAJNJSA-N 443.611 4.909 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(=C)CC1 1359129193 UOKWLAWXNGEGBM-UHFFFAOYSA-N 431.378 4.765 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(SC)CCN(C)CC2)CC1 1359160315 RAWZIAPZTSEIEI-QFIPXVFZSA-N 439.673 4.804 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccccc2OCC)CC1 1359180636 MQEJGCMQRANLKE-UHFFFAOYSA-N 437.613 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(N(Cc2ccc(-n3cncn3)cc2)C2CC2)nnc1C(C)(C)C 1359193036 VDEXEZXRFGLTBA-UHFFFAOYSA-N 433.604 4.928 30 10 IJEE C=CCCCn1c(CC)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1359217065 MRFKLUXMSXZXMH-UHFFFAOYSA-N 427.902 4.806 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C 1359341634 CKDPYWKYUMRQIE-GOSISDBHSA-N 449.665 4.691 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC=C(C(C)(C)C)CC1 1359346801 WKXSLJWGHNIBQA-UHFFFAOYSA-N 442.629 4.968 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(COCC(F)(F)F)cc2)o1 1361169463 FJSLBQXRVWHRHH-OAHLLOKOSA-N 447.461 4.712 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(F)(F)c2cccc(Br)c2)cc1 1434885869 LTQNRRGJQQAZRZ-UHFFFAOYSA-N 449.295 4.994 30 10 IJEE C=CCc1cc(C(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)cc(OC)c1OC 1435383778 HDKOCNUXEIJWJX-UHFFFAOYSA-N 447.531 4.969 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(=O)n(C)cc1Br)c1ccc(C(F)(F)F)cc1 1435635503 RMYPFZSILKYJME-INIZCTEOSA-N 443.263 4.604 30 10 IJEE COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CC2 1439012514 HPIPLIKPVBROHT-SFHVURJKSA-N 442.515 4.914 30 10 IJEE N#Cc1c(N[C@@H]2CCN(c3ccccc3OC(F)F)C2)nc2c(c1C#N)CCCCCC2 1458177718 DSBNKPIEKDBTCN-MRXNPFEDSA-N 437.494 4.776 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2Cc2ccccc2Br)cc1 1460160316 ILLZMBSOODBQOG-OAQYLSRUSA-N 425.370 4.856 30 10 IJEE C=CCSCCNCc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 1461428346 PSEMPEUCPIWYIY-UHFFFAOYSA-N 435.593 4.769 30 10 IJEE C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1464203364 XCBFEDRRHSBFDJ-ZJSXRUAMSA-N 444.666 4.914 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1ccccc1 1468005457 QMIZOAZAJWBRCD-LJQANCHMSA-N 430.346 4.703 30 10 IJEE C=CCCCCCCCCNC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1470384571 MXOKVSJUSAEVIF-GOSISDBHSA-N 425.495 4.723 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1)c1ccccc1 1471203780 PNNIWXBQIDGWPL-DHIUTWEWSA-N 426.582 4.655 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c2)CC1 1471755917 YFFNAHUSGDIYGK-UHFFFAOYSA-N 442.581 4.535 30 10 IJEE C=CCn1c(SC[C@@H](OC)[C@@H]2CCOC2)nc2scc(-c3cccs3)c2c1=O 1472917553 ITWLZWGKOIFLKS-UKRRQHHQSA-N 434.608 4.516 30 10 IJEE C=CCC[C@@H](CCC)NC[C@H]1CCCN1Cc1ccc(I)cc1 1474476121 VMTMYLLIMFAHOB-WOJBJXKFSA-N 426.386 4.980 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1475122612 IRKRRUOFCYDKPS-HNNXBMFYSA-N 432.395 4.739 30 10 IJEE CC(C)[C@@H]1CCc2nc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)sc2C1 1477185209 CEBPWEDUIMQLJU-MRXNPFEDSA-N 442.560 4.990 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN(C(C)C)C(C)C 1507531553 BFAKWSSXVZREDE-FQEVSTJZSA-N 434.588 4.567 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507600560 ZXRMNOVGNWZITM-XMMPIXPASA-N 442.629 4.634 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCC1(F)F 1507607336 RBRRUPJYVVCRAY-LBPRGKRZSA-N 429.334 4.664 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC1CCCC1 1507797256 RSITUTAOHQSGJT-WMZHIEFXSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2cccc(C)c2C)CC1 1507803887 HMSJWCOVYVNBJZ-UCFCWBNQSA-N 437.632 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1507806339 HHQMZSFEKDEFKT-XGAFWQRZSA-N 427.568 4.857 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cc(C)cs1 1507934829 IDXXUQUBUIEHFP-UHFFFAOYSA-N 434.569 4.957 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCn1nc(C)cc1C 1507986230 XBKBXTWXOPIMFQ-UHFFFAOYSA-N 436.604 4.680 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCCN1CCCCC1 1507999725 QEXQEGFADMKLNB-UHFFFAOYSA-N 434.632 4.807 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1508008135 KXHBLMJVWBKSTD-UHFFFAOYSA-N 445.633 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1cccnc1OC 1508008993 VZQYKWNKHMMTER-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1sc(C)nc1C 1508025782 RRKVLTNOWCACJC-UHFFFAOYSA-N 444.608 4.621 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC2C[C@@H](C)O[C@H](C)C2)c1C 1510370732 CQLAEAHYMNMGPP-XLBJILASSA-N 439.604 4.834 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1c(C)nn(-c2ccccc2)c1C 1512886675 ANCDNZIETCVCKQ-SFHVURJKSA-N 431.588 4.773 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(CC)cc3)c3cccc(F)c3)cc2C1=O 1523228688 HDYCLPRJKGPAQQ-DEOSSOPVSA-N 442.490 4.690 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 1526457266 DOGRGWOKLLOOCU-GOSISDBHSA-N 427.342 4.569 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2S(=O)(=O)C(F)F)cc1 1526677214 GDAIMYBCCSZRRT-UHFFFAOYSA-N 442.443 4.528 30 10 IJEE C=C[C@@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 1529849291 IIRHFTVOQUJLLX-ZSFFSCSXSA-N 443.503 4.951 30 10 IJEE C=CCCn1cc(C(=O)N[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)nn1 1532053873 HJJIHCLOGOHCKK-LBPRGKRZSA-N 446.374 4.540 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)cc1 1533420589 XPQDOMFODGXIPU-UHFFFAOYSA-N 431.275 4.502 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4cc(Br)ccc4c3)cc2C1=O 1534381082 IOECXZHFGCRSNJ-UHFFFAOYSA-N 435.277 4.637 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1538715329 GUXNGVSUSQXNLR-SPLOXXLWSA-N 425.356 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCNc1ncc(Cl)cc1Cl 1538995625 ONOOXZUPCXWDQT-ZDUSSCGKSA-N 449.773 4.870 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1539141769 XXXHWWTVMFPLJL-FQEVSTJZSA-N 444.048 4.702 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccccc1 1539350722 WTMXJGVYXJEEOZ-RUZDIDTESA-N 434.609 4.643 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2CCC[C@@H]21 1539498976 ADBWTMOASSESSS-KBPBESRZSA-N 437.432 4.514 30 10 IJEE C#CCSCCn1c(N2CCC[C@H](C(F)F)C2)nnc1C1(c2ccccc2)CCC1 1539530983 QFNYGYKWYCUXAP-SFHVURJKSA-N 430.568 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1c(C)noc1C 1539650600 SQFYAJJYEQTKEH-GOSISDBHSA-N 427.524 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC1CCN(Cc2cccs2)CC1 1539666957 CMGPFVOLAQTSNN-QFIPXVFZSA-N 443.661 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCCN(C(=O)C(C)C)CC1 1539906651 RWGJHBWBBOXRCI-UHFFFAOYSA-N 449.599 4.988 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1c(C)nn(C)c1C 1539991417 JMHUIMYMWIDGEI-UHFFFAOYSA-N 443.393 4.661 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC1(CC)CCOCC1 1540133424 IZBXZSGGMMNMPF-UHFFFAOYSA-N 431.584 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC(C)(C)c1ccccn1 1540142526 MDJDFSXBVGCDFK-UHFFFAOYSA-N 430.581 4.967 30 10 IJEE CC(C)(Cn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1)c1ccc(F)cc1 1541241497 BDDKHVNIBXNQCC-UHFFFAOYSA-N 432.547 4.511 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](C)C1 1545281649 UWPPHJZRWVVYPX-MWTRTKDXSA-N 438.955 4.905 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1C#N 1556281130 AJCGKYKHQBQURO-IBGZPJMESA-N 448.514 4.604 30 10 IJEE C#CCN(C(=O)CSc1nncn1-c1ccc(C)c(C)c1)[C@@H]1CCCc2ccccc21 1558541984 GLUSKHHDGVOMDL-HSZRJFAPSA-N 430.577 4.516 30 10 IJEE C#CCN(c1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CCOc2ccc(Br)cc21 1559108031 XPWRHPANJKAXSY-KRWDZBQOSA-N 431.286 4.719 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)[C@@H](CO)c2cccc(Br)c2)cc1OC 1560642402 UUNLKPNOEPQFEX-SFHVURJKSA-N 440.765 4.841 30 10 IJEE C#C[C@H](CCC)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1583570832 MOCCXKBNIVYRNR-LJQANCHMSA-N 436.939 4.761 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 1585491806 XUINLPWDMLLYHL-HXUWFJFHSA-N 426.582 4.759 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CC[C@@H](F)C1 1587600250 WODJJEDWHBGKLR-NLWGTHIKSA-N 428.552 4.729 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1587746057 IBSGMEKDRAJNDE-UPVQGACJSA-N 442.611 4.633 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1587861269 IZYQZULLCFYWOG-IBGZPJMESA-N 445.405 4.621 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1587883644 IBHJESHDNQNQSZ-DEOSSOPVSA-N 449.643 4.527 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)Cc1cccs1 1588110074 UGFXUSCURGSFSN-MRXNPFEDSA-N 426.948 4.751 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1CC 1589117336 YBDCJYWWBKMNBG-INIZCTEOSA-N 439.412 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CC1(SC)CCOCC1 1589163582 LAHAOWCSALCVSW-OAQYLSRUSA-N 431.005 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCCN1CCCC[C@H]1C 1589242438 AGBBNXSZIZWRAQ-YIXXDRMTSA-N 449.643 4.812 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1593600453 JKSMDAVZOIUBLV-CYBMUJFWSA-N 448.320 4.901 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C2CCCC2)CC1 1594473446 RRSLTPGFXSQWQF-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)CC1)c1ccccc1 1594551933 CPOXPEVKKWQYLL-OAQYLSRUSA-N 449.624 4.866 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cccn1 1595149597 QTHYBOIOOXNGRY-UHFFFAOYSA-N 439.976 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccsc1)N(C)C 1595156693 OSUXULGVHFERTK-FQEVSTJZSA-N 438.626 4.892 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1Cc1cc(C)no1 1595165293 FJKBUFGAQZAVEE-UHFFFAOYSA-N 439.516 4.595 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1595447160 NZKSJAYBNZTMFW-UHFFFAOYSA-N 434.993 4.532 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCC(C)CC2)C1 1595707049 RVTMTRHQPIKOAJ-HXUWFJFHSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2nc3cc(Cl)ccc3s2)C1 1595729421 MFVYSXZKJUQOSP-INIZCTEOSA-N 446.020 4.959 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2CCCCC2)C1 1595744252 LCAAZFOCBYIDDV-NRFANRHFSA-N 430.980 4.872 30 10 IJEE C#CCC1(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)CCCCC1 1611188785 XPCQAEMLZZZQIB-SFHVURJKSA-N 433.980 4.842 30 10 IJEE C[C@H](CCn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCCC1 1611400993 CFBXHGXHLHLHNZ-KCWPFWIISA-N 448.659 4.848 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CCCC1(C)C 1618338523 IBSABVSEZITUGL-QFIPXVFZSA-N 442.581 4.703 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@](C)(C#N)C2)cs1 1618925195 BPOKDXOVMKWPNZ-UZUQRXQVSA-N 436.585 4.596 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 1622506449 NFGFXVVCHTWZNH-QGZVFWFLSA-N 439.331 4.733 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)CCOCC1 1623483764 CAAZXJSJYVANJP-UHFFFAOYSA-N 431.895 4.978 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(C)ccc(Br)c3[nH]2)cc1 1623891095 HSGOFUCNFLCJPF-UHFFFAOYSA-N 427.302 4.799 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cn2cc(Br)cn2)s1 1626342850 ONGWZAMBFPGHAG-UHFFFAOYSA-N 446.370 4.592 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1 1626530639 GARMEZQIDZVLBH-HXUWFJFHSA-N 431.517 4.560 30 10 IJEE C=C[C@@H](C(=O)N(C)c1ccccc1C(=O)NCCc1ccc(OC)cc1)c1ccccc1 1627165681 MKNNQVXHDXIIEU-HSZRJFAPSA-N 428.532 4.600 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1629235373 HDNAOQLMUASATH-OTWHNJEPSA-N 436.980 4.727 30 10 IJEE C=CCC[C@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 1633471380 PQCWFSQUCIRBEI-SFTDATJTSA-N 431.458 4.959 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 1633899602 HUICZXHVMLXWHS-GOSISDBHSA-N 446.979 4.586 30 10 IJEE N#C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCN1Cc1ccccc1 1636287035 AZEGKKOALPFTDV-YFNKSVMNSA-N 436.987 4.786 30 10 IJEE Cc1nc(SCCC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)n[nH]1 1638221391 HCRMEZWXVFMODW-UHFFFAOYSA-N 429.958 4.910 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 1640538957 OGTPTRRLTMBGQM-YADHBBJMSA-N 447.000 4.651 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(C(F)(F)F)c1)CC(C)C 1641312670 NKJGYNHJMMXHAF-LJQANCHMSA-N 440.506 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1nc2cccc(Cl)c2n1C 1649544119 VNLNAGQRSXTXPT-UHFFFAOYSA-N 435.963 4.639 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc3c(cc2OC)CCC(=O)N3)cc1OC 1650918362 DDKAESUIJPYILW-UHFFFAOYSA-N 447.329 4.528 30 10 IJEE CCOC(=O)c1cn(Cc2cc(F)c(C(F)(F)F)cc2F)c2cc(F)c(F)cc2c1=O 1652182995 HVMFMGREJNGKAK-UHFFFAOYSA-N 447.306 4.802 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)[C@@H](CO)c3ccccc3)c2C#N)C1 1652437297 CWCCWDACIAATIG-RXVVDRJESA-N 439.625 4.765 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCCCN(C(=O)OC(C)(C)C)C1CC1 1652601097 RAHWWXMKHCUOLU-UHFFFAOYSA-N 428.602 4.937 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cccc(Br)n1)c1ccc(C(F)(F)F)cc1 1654702003 BNARPCDSWFKSDD-AWEZNQCLSA-N 449.292 4.849 30 10 IJEE C=CCn1c(SCc2nc(Cc3ccccc3C)no2)nc2cc(Cl)ccc2c1=O 1655984445 WMYHSRDMMGATAA-UHFFFAOYSA-N 438.940 4.810 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OC)cc1Br 1658057177 CDCRTDNGPBOWPQ-LSDHHAIUSA-N 437.403 4.773 30 10 IJEE C#CCN(Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CCOc2ccc(Br)cc21 1659177346 GNOUIJBDHMBAGJ-KDOFPFPSSA-N 431.399 4.989 30 10 IJEE C#CCN(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1660895163 YTHARPCLRPTYMO-GDBMZVCRSA-N 447.295 4.895 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H]1CCC2(CCOCC2)O1)c1ccc(C(F)(F)F)cc1 1670826254 BHQSOXNCFPXYBM-RTBURBONSA-N 426.479 4.740 30 10 IJEE C=CC[C@H]1CCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)C1 1675813260 DHMDHTFTSFMFPK-QFIPXVFZSA-N 435.568 4.900 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1 1676636696 ZGWIDESORVNPSS-KRWDZBQOSA-N 441.247 4.564 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](OC)c1ccc(F)cc1 1678067052 ADQLLEBQNQWIKR-LJQANCHMSA-N 439.300 4.813 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1Cl 1680521301 GBLGGDHCYJDCDI-UHFFFAOYSA-N 439.140 4.895 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1680762337 RCFVIMINYBXYIR-CTNGQTDRSA-N 434.458 4.531 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccccc2Oc2cccc(Cl)c2)C1 1684082383 AMRZGVJKGOCUGG-QUCCMNQESA-N 425.960 4.932 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)c(F)c1 1686174136 YFBUXCJSHNQEAD-DEOSSOPVSA-N 449.501 4.903 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCO[C@H]1CCCC[C@@H]1C 1689949830 TVBJVJNBOSUAIY-KXBFYZLASA-N 449.368 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(Cl)c1 1690242792 CNVMSHRBQNVZEG-DENIHFKCSA-N 437.975 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cc1 1690271438 OXWQSJQVXRVCGK-FQEVSTJZSA-N 443.567 4.940 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H]1CCCOC1 1690304929 RJDSXCCETIHHKG-OALUTQOASA-N 444.645 4.587 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)C(C)C)CC1 1690399134 OJZIZFNOXWKOTK-NRFANRHFSA-N 433.394 4.517 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2sccc2Br)CC1 1690410103 AETOQSIHYWCGTB-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1 1690419964 GZGSQEWPPZOCIC-KRWDZBQOSA-N 426.540 4.529 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1690430528 MPYSEBQCFBAARW-IBGZPJMESA-N 439.560 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](Cc3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1690439404 FDPYNPRTURKNLF-BKMJKUGQSA-N 438.616 4.602 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690472407 MYNDRGWGWIPBPF-WMZOPIPTSA-N 440.523 4.599 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690476844 QQZLMTLSIWHHFF-UHFFFAOYSA-N 438.963 4.651 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@@H](C)C1 1690499871 CTKQEXRKTMTPCK-IRXDYDNUSA-N 432.659 4.666 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1690521446 ZCYIGDUFZCUISN-IFMALSPDSA-N 432.597 4.584 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)c(COC)c1)C1CC1 1690554054 ROQXSIGRZDGPRE-IFMALSPDSA-N 442.579 4.685 30 10 IJEE CC(C)(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1CC(C)(C)C1 1691169915 HEFZYTYYBDWEIF-UHFFFAOYSA-N 434.632 4.891 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCCC1(C)C 1705492070 LCFZMZLUJAUXKD-QUCCMNQESA-N 443.636 4.677 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(Cl)nc1 1705541517 LMRALLHGQASWLX-INIZCTEOSA-N 444.366 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCCCO 1705696286 MMCVNIKZJMLAPB-GMAHTHKFSA-N 440.632 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1SC 1705706676 YIVCQLYMNOTTDG-QPPBQGQZSA-N 449.624 4.603 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)CC1 1705772874 YDKGKZOWJJRRRQ-LJQANCHMSA-N 433.581 4.825 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCn2cc(C)cn2)CC1 1705777034 VYDREQMQKJRAPU-NRFANRHFSA-N 434.588 4.642 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)SC)CC1 1705781967 LPDORMHGWRFRHK-HKUYNNGSSA-N 449.665 4.547 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1705785614 OWDYYWRNZGLSDW-GOSISDBHSA-N 434.556 4.705 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705829369 OROZFYZNXGHBNG-LJQANCHMSA-N 438.494 4.768 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1705872109 LJTTWPLXKJWWIQ-RTWAWAEBSA-N 432.616 4.736 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCc2ccccc2C1 1705874349 KWCJZOCNAMCCLN-QHCPKHFHSA-N 435.616 4.535 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)c2nc(C)cs2)C1 1705916571 LMAOHNDIGMZBMI-BEFAXECRSA-N 444.004 4.948 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2sccc2C)C1 1705923168 AEGJGYIJXSHTLH-HXUWFJFHSA-N 443.016 4.916 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN1CCCC1 1706734155 HHHSBFRSPYIARW-IBGZPJMESA-N 432.572 4.729 30 10 IJEE C[C@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1708042593 DANOTCKFDJWMDG-URXFXBBRSA-N 448.659 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1coc(-c2cccs2)n1 1722299799 SVGDNTLZHWDXKP-SFHVURJKSA-N 447.564 4.697 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722344271 VGEWYUBZIVQGKP-XXBNENTESA-N 431.584 4.712 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCSCC(F)(F)F 1722404826 DOMXEADCKJIUFM-QGZVFWFLSA-N 440.535 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1ccn(C)n1 1722507154 ZPQURJIILJGZME-UHFFFAOYSA-N 443.599 4.731 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(F)(F)CC1 1722507875 HEOXTKUEFQUCHE-YLJYHZDGSA-N 436.934 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N1CCC(C)CC1 1722515522 NUJRZSOCXSOCFY-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1722546090 GHUXDHMPMZYTCL-QWHCGFSZSA-N 427.799 4.790 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](c1cccs1)N(C)C 1722636679 LRLYUFSIMMIYPU-KRWDZBQOSA-N 446.418 4.694 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1722655898 MKVHIAAMLJCDKB-OAQYLSRUSA-N 446.643 4.805 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](SC)C(C)(C)C)C1 1722722425 OUACGNUWUGGQJH-ICSRJNTNSA-N 432.609 4.567 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722742859 JNUTVAQCJWFGLF-IBGZPJMESA-N 428.646 4.864 30 10 IJEE Cc1cccc(O[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)c1 1724241363 BSIFBGMEJMRABG-FQEVSTJZSA-N 430.556 4.555 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CC2(N(C)C)CCCCC2)o1 1724291869 GKJMADNXZYKOJX-UHFFFAOYSA-N 432.572 4.619 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(CC)(CC)OC 1740600435 LMLYINIMTIZCBU-SFHVURJKSA-N 432.996 4.963 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C(CC)CC)N(C)C 1740648454 KZTOLLZUIXSFNV-QFIPXVFZSA-N 443.998 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](C)c1nc(C)cs1 1740649550 XCEAECNDNSBOCB-KNQAVFIVSA-N 431.609 4.852 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)Nc1ccccc1 1740664497 SLJPLUACUKPFKP-GOSISDBHSA-N 447.608 4.620 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1cc(C(CC)CC)no1 1740673844 JHYKAPRSMAQZMF-UHFFFAOYSA-N 430.556 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCCCCC1 1740757052 RYDJCOMXHFKVEB-XXBNENTESA-N 440.588 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccnc1OC 1740769633 PNDNAIOBMTWXJD-KRWDZBQOSA-N 437.613 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(SC)CCOCC1 1740773192 VWDQNNMVHBJIPT-UHFFFAOYSA-N 425.602 4.741 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCCN2CCC[C@H](C)C2)CC1 1740840624 FQBSMUMLOKJJEK-FQEVSTJZSA-N 427.662 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1ccon1 1740846598 FHLHTMOKCKJKHC-UHFFFAOYSA-N 430.350 4.934 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740852773 SMBFYABMYXJZAF-OALUTQOASA-N 429.584 4.517 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(SC)CCC1 1740893301 FEXYVOIXPWVRKM-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(F)(F)Br 1740903845 MZYMYSUUKWBOCI-UHFFFAOYSA-N 443.336 4.899 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc3ccccc3o2)n1CC[S@@](=O)CC 1740922945 XJUNINCOJZFEQK-PMERELPUSA-N 440.594 4.714 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1740935500 NSSWZSVJWLTTAX-KMDXXIMOSA-N 436.600 4.736 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CN(CC)CC)C1 1740949134 ITFBKBSDRBKMHL-FQEVSTJZSA-N 425.621 4.509 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1740998808 QZZSEMJEWVBWQC-KRWDZBQOSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1741004597 GEBNBTNSFUUWJW-CALCHBBNSA-N 430.643 4.590 30 10 IJEE COC1(Cn2c(COc3ccc(C)cc3)nnc2N2CCC(C#N)CC2)CCC(C)CC1 1748504754 BFBVHABQQWBVGC-UHFFFAOYSA-N 437.588 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1c(C)coc1C 1748655287 UYNXEXDZWRQDTL-SFHVURJKSA-N 430.508 4.833 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](OCC)C1CCCC1 1748673352 FYQAPDCOCHOPKC-GCJKJVERSA-N 429.008 4.966 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1748709899 AHSPWBQTMWTEKM-UHFFFAOYSA-N 428.527 4.505 30 10 IJEE C#CCCCCn1c(N2C[C@H](c3ccccc3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1748726646 JAZXOEIDPNBQRW-WHSBFGAESA-N 436.600 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(Cl)c1C 1748902461 PCBUESWIHUGWGD-IFMALSPDSA-N 439.003 4.670 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C#N)o1 1749143339 GPCJZEBDWPWXPM-INIZCTEOSA-N 425.920 4.987 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1749218301 KVRUDPFPHNLICR-RXVVDRJESA-N 437.975 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749358587 BUNPCGNGIAKSRZ-DEOSSOPVSA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1749369214 YVMMLHKOVOXZNB-PMACEKPBSA-N 431.669 4.990 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccccc2C)C1 1749370606 MFJXALRTTYFXBO-QHCPKHFHSA-N 431.584 4.753 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(O)CCC(C)C 1749474568 ZFEOPVOHKLEIPC-HXUWFJFHSA-N 439.373 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](C)Oc1cccc(C)c1 1749551371 XVXGJZZAMVUJIL-LJQANCHMSA-N 446.580 4.765 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@](C)(O)c1ccccc1Cl 1749551407 ZIAYMYXGKVKTSP-JOCHJYFZSA-N 428.989 4.971 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)Oc1cccc(F)c1 1749553021 DKRXDYZFFDMYCG-ROUUACIJSA-N 442.560 4.643 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1749601242 YXZRYHYHFFFBSJ-MXVIHJGJSA-N 437.975 4.675 30 10 IJEE CC(C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccsc1Br 1750608891 DUPOBHRPBWCSRF-UHFFFAOYSA-N 430.375 4.782 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCOc2ccc(Cl)cn2)C1 1752055487 IBXAPBNRYDPVEP-IAGOWNOFSA-N 436.947 4.569 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)N1CCCCC1 1760103736 LEPGWJKBPYYXLV-LJQANCHMSA-N 439.673 4.998 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1760145124 INTXWKDWOSCEOR-DHIUTWEWSA-N 435.616 4.513 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)C1CCCCC1 1760225463 QFJQYQQFZRHKPT-UUOWRZLLSA-N 445.007 4.862 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCc1nc(C(F)(F)F)cs1 1760230830 PCTUYFVSEVESEA-UHFFFAOYSA-N 439.894 4.776 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760343942 HJHDAPCLSIOHQT-QGZVFWFLSA-N 430.961 4.823 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](CCC)OC)CC1 1760384557 CCWFLESIQWSCIG-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCC2)C1 1760406654 JCEQJXQSAWJCTL-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCSC1)c1ccccc1 1760420261 LSVOSPIBCNLGCP-FPOVZHCZSA-N 439.654 4.935 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC1CCC1 1760425966 BCWHQXARLLACID-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1760447184 JIAJWSTWCKIMIA-UHFFFAOYSA-N 441.526 4.876 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCO[C@@H]1C(C)C)C1CC1 1760471323 SBAVDVPAYYLBEL-NPPFBWRTSA-N 428.552 4.773 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1760474927 MZANRIIFAKHKKL-UHFFFAOYSA-N 445.464 4.819 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1N(C)CCCC1(C)C 1760488650 AWXOGQJPYPYLGD-DENIHFKCSA-N 441.595 4.856 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCC2)C1 1760561804 MTFFXCFMMNBTLN-UHFFFAOYSA-N 426.630 4.921 30 10 IJEE O=C1C(=NO)c2cc(Br)ccc2N1CCCOc1ccc2ccccc2c1 1772728851 GOSHRINRKMBDTG-UHFFFAOYSA-N 425.282 4.596 30 10 IJEE CCc1ccc(-c2nn(-c3ccc(N4CCC(C)CC4)cc3)cc2/C=N\NC(N)=S)cc1 1857807467 KECASZAEQJKWNY-YUMHPJSZSA-N 446.624 4.505 30 10 IJEE Cc1cc2oc(=O)c(C(=O)Nc3c(C#N)cnn3-c3ccccc3)c(C)c2c(C)c1Cl 1859744185 VAKNJJMUPFOKTR-UHFFFAOYSA-N 432.867 4.681 30 10 IJEE CCOc1ccc(CCNC(=O)C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1OCC 1860733026 OQBRNHALGOPGAJ-RMKNXTFCSA-N 436.335 4.732 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCC)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861239941 PXCUXUOBQSOZBI-JOCHJYFZSA-N 433.637 4.660 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862401955 NSDJBOYBIZXWSP-XMMPIXPASA-N 442.515 4.740 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCOc2ccccc2)c1 1862413037 UBPXASQXBFWMKT-QHCPKHFHSA-N 449.453 4.931 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCn2ccnc2)c1 1862429300 KCZOPGSNTSPNBA-NRFANRHFSA-N 435.911 4.514 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCCCO)cc1 1862444886 JMSNWJGYZMOTHW-NRFANRHFSA-N 427.928 4.643 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)cc1 1862507507 NBPTYALXIBPBOH-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862539691 VQZKIBAUEOCIHI-HXUWFJFHSA-N 447.362 4.696 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccccc2C)cc1 1862589206 GTCAQHYWFFZZLD-DEOSSOPVSA-N 427.500 4.830 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(CC)cc1 1862590361 HHIGEOPIRKBHIA-QHCPKHFHSA-N 437.536 4.740 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2F)c1 1862596575 VDTSVVZDGHZXGS-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862728392 ASZKAFNQLDTTHP-DEOSSOPVSA-N 443.499 4.969 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862751093 JFMJOUADRJMPLO-IBGZPJMESA-N 426.856 4.769 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2)=C(c2cccc3ccccc23)C1=O 1863223042 BNVWFOUSRXACBW-UHFFFAOYSA-N 433.305 4.980 30 10 IJEE C=CCN(CC=C)c1cc(N(CCO)Cc2ccccc2)nc(-c2ccc(Cl)cc2)n1 1867980997 FZOVPRIDROLNOW-UHFFFAOYSA-N 434.971 4.974 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868378381 KFNMIGFLURNQSL-IBGZPJMESA-N 427.508 4.767 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)c1ccccc1 1868840436 SJPKBRXLILEZDR-UWJYYQICSA-N 441.369 4.611 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870837353 BJHWHIVBPFQHGN-UHFFFAOYSA-N 439.604 4.638 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)cc1)C3=O 1871349860 YDDBXWYLHGQCMO-HMAPJEAMSA-N 426.944 4.840 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871405488 FCSWIOHPSUCGGQ-DNPFKWNUSA-N 445.471 4.726 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 1871415244 WZCVFGATBVTEQK-MYYYXRDXSA-N 448.471 4.786 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(OCC(=O)Nc3c(F)cccc3F)ccc2C1=O 1871440434 OZCXAYFIQJCVBZ-ZDLGFXPLSA-N 427.428 4.968 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1871855625 GIXQXWFOLMERJV-JPYJTQIMSA-N 442.581 4.812 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1)C(C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872127871 WRLWWPGERFDELR-LJQANCHMSA-N 441.380 4.833 30 10 IJEE CCc1cccc(C)c1N1C[C@@H](C(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)CC1=O 1872774201 KADYKJVLDBDVSY-IRXDYDNUSA-N 435.574 4.972 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCN(Cc3cccc4ccccc34)CC2)CC1=O 1873007192 BFOXQNCTOMTKMN-RUZDIDTESA-N 449.639 4.693 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1cccc(C)c1 1874202317 VSRJBDYNSSJOEJ-KOEQRZSOSA-N 436.581 4.939 30 10 IJEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)ccc1O 1874417134 ACKQGNZSJYXBIE-CVKSISIWSA-N 448.523 4.897 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)cc1OC 1874443980 PRJFZHZFVBSKHD-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(N(CC)CC)cc1 1874457950 PSMJYWHBJYCYIE-LFVJCYFKSA-N 443.617 4.709 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2c(F)cccc2Cl)cc1 1874505772 YIDHONOSICCBRO-FOKLQQMPSA-N 434.924 4.790 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)C)c1 1874517184 NNDNFGJXOHVNDV-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccccc1Cl)c1ccccc1 1874523280 JCBADKHMGQTRNE-MMTYYTLLSA-N 439.972 4.661 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c1 1874597111 VFMZPTLNSSSQDV-XYDKVEKUSA-N 445.515 4.856 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1)Nc1nccs1 1874609951 SMFQHFRKTYPCQY-RMKNXTFCSA-N 443.322 4.819 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC 1874611336 IIXALLOQXMNDFJ-ACCUITESSA-N 425.525 4.627 30 10 IJEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1)c1ccccc1 1874620727 PTNQBPRUIIODLU-XWGMLZDCSA-N 443.499 4.610 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC 1874630713 PXGUOHKJDVFMLV-CSKARUKUSA-N 425.525 4.512 30 10 IJEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)on3)C2)c1 1891755449 OIBKOUCUFBCODO-QFIPXVFZSA-N 436.471 4.569 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1922134547 UEGHHCMFRXZLRO-OYDLWJJNSA-N 441.568 4.619 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Cl)C1(C#N)CN(C(=O)OCc2ccccc2)C1 1955015903 AMUUNZLVOSCMOW-UHFFFAOYSA-N 441.915 4.996 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CC2 2016351099 NTTZOONZHSQRHZ-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2033849844 ZFQSTCHOLQNMEW-MWZSMPGESA-N 440.632 4.655 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC12CN(C(=O)OC(C)(C)C)C2 2059140595 LBDURGNZPXYAOC-XMMPIXPASA-N 443.544 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)C12CCC2 2076645314 AGYUNOORPVINJJ-KOSHJBKYSA-N 449.592 4.618 30 10 IJEE C#CCC[C@@H](CNC(=O)OC(C)(C)C)Oc1ncc(Br)c2ccsc12 2078077715 FVHMZDNWDRITKV-LBPRGKRZSA-N 425.348 4.744 30 10 IJEE CCc1nn([C@H](c2ccc(C)cc2F)C(C)C)c(I)c1/C=N/O 2079047444 LPVNDJDHMDRREE-FCASDWRQSA-N 429.277 4.551 30 10 IJEE CN(C)c1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)s1 2093102759 WHAGUUHSZIIZSN-AWEZNQCLSA-N 437.363 4.978 30 10 IJEE Cc1c(C#CCCO)cccc1C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2095882810 GFLHJBXCPPVXQW-UHFFFAOYSA-N 440.587 4.503 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)c1 2101335193 AEVXMIAPKGCAHV-INIZCTEOSA-N 442.365 4.777 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2c1cc(Br)c(C#N)cc1F 2174768734 VDOVJVFHKNXEFK-XMQYKBBCSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@](C)(C2CC2)C1 2174810575 NXCNFSLTXNJAIY-FQEVSTJZSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2181144079 PQCFMQAEVXIEFY-HUUCEWRRSA-N 436.350 4.590 30 10 IJEE C#CC[C@@H](CN(C)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C)C1CC1 2196767057 UAYZVIHZHVQXPX-HNNXBMFYSA-N 435.362 4.918 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccc(Br)cc2C#N)CC1 2205402743 SJLSJQZQDBOPFH-SAZUREKKSA-N 436.350 4.733 30 10 IJEE CC1(C)OB(c2csc(CN3CC[C@@]3(C)CCOCc3ccccc3)c2)OC1(C)C 2214523377 NCKHBEPXPQKETP-DEOSSOPVSA-N 427.419 4.619 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)CC3CCCC3)c2F)OC1(C)C 2267415775 FYQKGHAKIVEKMC-UHFFFAOYSA-N 437.364 4.958 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)c1 2269003108 OUVWZUUAMPTDGY-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)N(c2c(Br)cccc2C#N)CCN1C(=O)OC(C)(C)C 2285225617 BWULOFTURSDBID-ABAIWWIYSA-N 448.283 4.697 30 10 IJEE COc1ccc(CN=C(C)c2c(C(F)(F)F)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 2294602816 FCVZWQYRDUOGER-UHFFFAOYSA-N 446.454 4.812 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296300396 HMHSWSZUDAXIEO-OALUTQOASA-N 433.390 4.568 30 10 IJEE CCCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 2297744850 OBCWFDNHJFCPBY-XMMPIXPASA-N 442.515 4.882 30 10 IJEE CC(C)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317347539 ZBTBBPLOUSTVGJ-SFHVURJKSA-N 432.370 4.654 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)c1 2321958576 XGKZVAVMHJJJQP-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE Fc1ccc(COc2cccc(C=Nn3c(S)nnc3Cc3ccccc3F)c2)cc1 2321981660 BVFIULUGFBJOME-UHFFFAOYSA-N 436.487 4.897 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2C1=O 2323150872 PIOAMESTGZHWHX-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)c1 2323890249 AOHKPGFCYUPDCU-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc1OCC 2324623261 VGYHYGLGFNUUBS-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2324675560 TXYQHDPVTQEPLR-UHFFFAOYSA-N 431.488 4.835 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2325198606 BOOWTBPJCQYEPV-UHFFFAOYSA-N 436.552 4.705 30 10 IJEE COc1ccccc1CNC(=O)COc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2325272166 JQRRKLBIFWPJNE-UHFFFAOYSA-N 449.528 4.685 30 10 IJEE N#Cc1c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)sc2c1CCC2 2325744228 IGPUNOYOBQQPPT-UHFFFAOYSA-N 442.496 4.742 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)c1 2325744594 AMKYHDXEEFJXMI-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1cccc(F)c1 2325893433 VPONZDMRLMRGQK-UHFFFAOYSA-N 440.544 4.770 30 10 IJEE CCCOc1c(C=Nn2c(COc3ccccc3Cl)nnc2SC)cccc1OC 2327601309 UBCKOCLCORSQEE-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2N=Cc2cccs2)cc1C 2329454739 OZFNTYRIRJJYQO-UHFFFAOYSA-N 442.610 4.721 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc[nH]2)o1 2330098217 BMPPEBDEGMOPRI-MRXNPFEDSA-N 449.536 4.702 30 10 IJEE CCCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330123357 FQKSMCAFDBDTGR-INIZCTEOSA-N 440.569 4.840 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CC=Cc3ccccc3)CC2)nc(C(C)(C)C)n1 2330911003 IHMCSTWTWSDGPN-UHFFFAOYSA-N 431.628 4.788 30 10 IJEE Oc1cccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 2331017257 OIUMXSNMHPRDSV-SFHVURJKSA-N 432.908 4.802 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1c[nH]c2ccccc12 2331382257 QCKBXKIQHQWPNP-UHFFFAOYSA-N 446.580 4.978 30 10 IJEE COc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2C2CCC2)cc(OC)c1O 2331480692 GEGCBUINJZLKOJ-UHFFFAOYSA-N 438.553 4.751 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)c(C)c1C 2331612756 XMUNDHBREOKOEO-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CC1 2331877394 BDLXOYBZXCUUKQ-UHFFFAOYSA-N 445.855 4.867 30 10 IJEE CC(C)[C@H](CNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339594083 OQNFHGJTSKQSES-LJQANCHMSA-N 446.397 4.902 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 2343974731 XQFXMNJWXUZCAY-CYBMUJFWSA-N 437.256 4.876 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H]2CCN(Cc3ccccc3)C3(CCC3)C2)n1 2362160216 PKCRTFAVOROYKO-HSZRJFAPSA-N 447.432 4.688 30 10 IJEE COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cc(OC)c1OC 9495994 HYWFORKFAULWLO-JOCHJYFZSA-N 433.508 4.720 30 10 IJEE C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nc2ccccc2c1=O 10093114 QCPHLADBNVFOFG-SFHVURJKSA-N 433.577 4.502 30 10 IJEE CCc1cccc[n+]1/C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)=C(/S)Nc1ccc(F)cc1 10828581 POSACLGDMLDJEM-UHFFFAOYSA-O 438.548 4.874 30 10 IJEE CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C#N)cc3)sc2c1 15868271 CZUKOVMPFOLKIL-QGZVFWFLSA-N 429.505 4.535 30 10 IJEE C=CCc1ccc(OCCn2c(CNC(=O)c3ccccc3)nc3ccccc32)c(OC)c1 40275670 MHFPDVHSPYJBIC-UHFFFAOYSA-N 441.531 4.782 30 10 IJEE COc1ccc(N/C(=N\C(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)cc1 85581307 RPAFLIJUKPBBDM-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE COc1ccc2c(Cl)c(C(=O)NC(=S)N(CCC#N)Cc3ccccc3)sc2c1 100465434 JUYSESKSKHTUHT-UHFFFAOYSA-N 443.981 4.994 30 10 IJEE CN1/C(=C/C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)C(C)(C)c2ccccc21 102355848 DTVXBZMHMDZFGC-HYARGMPZSA-N 425.912 4.727 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(F)cc1 169940652 IPEDDPDBSIIEOP-NRFANRHFSA-N 448.406 4.525 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 169963218 UOBKDGNDGQKVQY-QHCPKHFHSA-N 435.439 4.528 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccncc1 170019658 WRNRIBFOMFGFHP-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc2ccccc12 170046481 BNCCWWGYSSDMKO-XMMPIXPASA-N 440.499 4.726 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(Cl)cc1 170058869 UFQZZEXFLMUNJW-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccc(O)c2)c1 170080201 XDABLMXGKAAISF-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(N(C)C)cc1 170129332 VDJUXUJNRSMBDP-QHCPKHFHSA-N 436.552 4.837 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(O)cc1 170138023 WBDUHCPZFHSIDZ-JOCHJYFZSA-N 435.476 4.532 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1cccc(C)c1 170147480 WZGVTBNAAUTEHY-HSZRJFAPSA-N 434.536 4.592 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccnc1 170193930 CFNNUVDWZGTCTK-QHCPKHFHSA-N 441.531 4.861 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 170247621 JVCQDHVDLRSIRZ-HSZRJFAPSA-N 433.479 4.982 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1cccnc1 170274673 KXOQZFBOAMHLDY-DEOSSOPVSA-N 442.515 4.956 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)o2)c1 170311128 BAAMZLOPRAWLLD-QFIPXVFZSA-N 435.451 4.904 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc(OC)cc2)ccc1OC 170439913 QWVGLQLYPRTZFR-NRFANRHFSA-N 439.508 4.618 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccc(O)cc1)c1ccco1 170450275 FVRKTCZXBSCFPM-IBGZPJMESA-N 443.377 4.783 30 10 IJEE Cc1cc(C)c2c(CC(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)noc2c1 170509526 BJDWMRYSUQXINT-UHFFFAOYSA-N 436.475 4.540 30 10 IJEE O=C1CCCC2=C1[C@@H](/C=C\c1ccccc1)N1NC(SCc3ccccc3F)=NC1=N2 207300095 RYTAPMBKDZDEDP-CLEWGBKMSA-N 432.524 4.694 30 10 IJEE N#C[C@H](C(=O)c1cc(I)ccc1Br)c1ccc(F)cc1 236253538 QZIANMXXVIYZEM-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(OC)c(Br)c1OC 407441743 VMXYTERQMFDAAE-RHSMWYFYSA-N 443.382 4.586 30 10 IJEE N#CCCCN1C(=O)CCc2cc(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)ccc21 447596301 CEQQJEHCYJVQIO-MPIKPJSNSA-N 428.580 4.877 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccn2)n1Cc1cccs1 461491736 UHCRHJDBYVKWHR-UHFFFAOYSA-N 432.509 4.551 30 10 IJEE C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508490856 DAFSJPVDDLSKQC-KRWDZBQOSA-N 426.952 4.599 30 10 IJEE C[C@H](N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccc(C#N)cc1F 512674803 ZFNJTGLDSMLVAI-PSLXWICFSA-N 444.478 4.819 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)c1 514234561 PPNKPTAQNRQWDT-QHCPKHFHSA-N 431.580 4.865 30 10 IJEE CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)cc1C#N 539870720 LVNPPFNEYCMXAO-QGZVFWFLSA-N 445.494 4.967 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 549263350 YXWKYEPBPSPWBO-FGZHOGPDSA-N 436.943 4.762 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 549637913 DODLLXBRXKZKEZ-SFTDATJTSA-N 440.588 4.570 30 10 IJEE N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 559559628 LETWANSWQVGKOU-QGZVFWFLSA-N 435.240 4.671 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)Cc3ccccc3F)CC2)c1 585851006 OKSFRTVKRAXZAS-UHFFFAOYSA-N 437.559 4.627 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)OC1CCC(NC(=O)c2cccc(C#N)c2)CC1 586511337 YRUXEJVHXLFKQV-XNTDXEJSSA-N 432.520 4.645 30 10 IJEE N#C[C@@H]1CN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2Cc2ccccc2)CCO1 619818960 NGOYYTNLKIHCRU-HXUWFJFHSA-N 445.523 4.590 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)c1 621327846 KBTBDGAECHGQKW-FQEVSTJZSA-N 434.561 4.555 30 10 IJEE O=C(/C=C\c1ncc(-c2cccc(Br)c2)[nH]1)c1ccc(C(F)(F)F)nc1O 731937098 FNZYSWOKQDPOOX-ALCCZGGFSA-N 438.203 4.855 30 10 IJEE C=CCN1C(=O)N[C@H](c2cnc(-c3ccncc3)s2)C(C(=O)Nc2ccc(F)cc2)=C1C 753385355 UGESJTAVBZIQIK-HXUWFJFHSA-N 449.511 4.509 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnc(OCC2CC2)c(Cl)c1 784832067 YJGYDRUUONALTK-GOSISDBHSA-N 425.916 4.610 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)n1 788596103 QHNXGQGOKNLISR-UHFFFAOYSA-N 440.906 4.656 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 812182436 KXMNDMSAYBGGBY-SDHOMARFSA-N 446.595 4.968 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](C(C)C)CC1 812184154 LKBILLOVHJJNDP-NRFANRHFSA-N 425.577 4.543 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(Cl)cc2Br)CCCN1C(=O)OC(C)(C)C 1124469392 ZIHZMHQFFRSNNE-IBGZPJMESA-N 442.737 4.801 30 10 IJEE C=CCC[C@@H](NC(=O)CC1(C(=O)OCC)CCOCC1)c1ccc(C(F)(F)F)cc1 1127418374 JFBSTOBHTMQEED-GOSISDBHSA-N 427.463 4.579 30 10 IJEE C=CC[C@H](OC(=O)[C@H]1CCCN1S(=O)(=O)CCCC)c1ccc(Cl)c(Cl)c1 1128330700 QBPKAAOJRAMZFO-MSOLQXFVSA-N 434.385 4.748 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1c(C)nc(SC)nc1C 1129588307 GQPZQLGNQPIBPO-UHFFFAOYSA-N 436.375 4.714 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)[C@]23CCCC[C@H]2C3)nnc1-c1ccc(Cl)cc1 1132374424 TZGHOCYQAQNNCG-ULYRPOKDSA-N 431.005 4.962 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCCOc3c(OC)cccc32)s1 1133243751 ULLHNOHXWMPSMK-HNNXBMFYSA-N 439.002 4.877 30 10 IJEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1137419189 BUVMRRQUXWANHJ-SFHVURJKSA-N 441.528 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Cl)c(Br)c(OC)c1N 1142075115 WWONRPDXIZCKRO-UHFFFAOYSA-N 427.701 4.661 30 10 IJEE COc1cccc([C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)OC)c1 1148578721 GZGODIRXDYBAQJ-HSZRJFAPSA-N 432.545 4.977 30 10 IJEE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCC3(C#N)CC3)n2-c2ccccc2)cc1 1155950179 FVBTZJXZFPAGDH-UHFFFAOYSA-N 445.592 4.744 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)nc1C)c1ccc(Cl)cc1 1160817378 ZHSGLVPNMONQAS-IBGZPJMESA-N 428.717 4.701 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1164489619 RBFLJVXSQWJAIY-HOCLYGCPSA-N 432.659 4.912 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(C(=O)OC(C)(C)C)c1 1168833938 ZABFGDRRWRJXRH-QGZVFWFLSA-N 434.533 4.536 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](CCO)c2ccccc2Br)cc1OC 1201954372 NJSIMDMIPBKNNI-GOSISDBHSA-N 440.765 4.889 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cc(Cl)ccc1I 1205500589 BZRDFBGDTVAZPX-UHFFFAOYSA-N 426.641 4.601 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCCc2ccc(C)s2)c(C(=O)OCC)c1C 1264357579 SUDXXZWUVJYSQW-UHFFFAOYSA-N 435.567 4.907 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)cc1 1265154412 DUFUEXPRAOKLDS-UHFFFAOYSA-N 428.573 4.576 30 10 IJEE COc1ccc(-c2nc(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)cs2)cc1OC 1270382234 HNARUPTVJOLUMY-UHFFFAOYSA-N 449.410 4.850 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@H](CC#N)c2ccccc2)C1 1271838045 GCUXZHXEHBRRBS-NHCUHLMSSA-N 440.385 4.848 30 10 IJEE Cc1sc2ncnc(N3CCC(C(=O)N(C)[C@H](C)c4cccc(C#N)c4)CC3)c2c1C 1276788042 GAQGSGZUQZTFAQ-MRXNPFEDSA-N 433.581 4.616 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C)[C@H]1C 1286497431 SDUPFCYNIIFAKR-FUHWJXTLSA-N 437.638 4.978 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCCC(C)C)CC1 1286584906 QDPDXEJIDLFSEU-UHFFFAOYSA-N 439.604 4.755 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C 1286604473 UALYHWRLZCEBJD-RTBURBONSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cn(CCCC)nc2C)CC1 1286647362 FFCPPLNFWQBZPZ-UHFFFAOYSA-N 440.542 4.657 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C=C)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1286681666 QMEFHPDKQWIIKR-JYFHCDHNSA-N 436.600 4.693 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286691828 RVXSTCNAOGGNDT-FGZHOGPDSA-N 425.621 4.749 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C)C1 1286707703 HNAJUQLHQZOSOM-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1286724585 PJZLCVBLVOSZFO-QPPBQGQZSA-N 435.641 4.944 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1286771113 XSIPGNAIRTXWJY-RTWAWAEBSA-N 441.595 4.836 30 10 IJEE C=CCCCCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1293770338 IOSFVPBRSWNCBB-IBGZPJMESA-N 439.369 4.788 30 10 IJEE C=CC[C@@H](C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1293985952 GKMOBSSJTYDXGP-MJGOQNOKSA-N 431.376 4.931 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(Cl)ccc2C1 1300981347 YLLAJGGKIQRQTI-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1301087496 JMWAORMKTXFCFU-UHFFFAOYSA-N 443.020 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301139029 KKNSMAYRMDYSSL-GAJHUEQPSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCOCC1 1301141075 IMKORWMKNRHKFR-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1301146159 UMCUPJPNQVDXON-UHFFFAOYSA-N 436.579 4.727 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301178488 MUKXFUOLSWIYBF-INIZCTEOSA-N 425.474 4.513 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C1CC1)N(C)Cc1ccccc1 1305438419 FZXDDSCMMDVBFD-GBXCKJPGSA-N 434.632 4.832 30 10 IJEE C#C[C@@H](NC(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1)c1ccc(Cl)cc1F 1312259633 KQVYYNVMEKQZFP-HXUWFJFHSA-N 443.906 4.584 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)c1 1312552804 PRJBGHGDNPKOTB-QGZVFWFLSA-N 425.248 4.923 30 10 IJEE C=CCCCCCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 1312664267 IVBAWKSJADALKO-HBMCJLEFSA-N 437.625 4.617 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H]2CCSc3ccccc32)nnc1-c1ccco1 1320376036 LFICNLHINGLOIQ-INIZCTEOSA-N 427.551 4.987 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1ccncc1C)c1ccc2c(c1)OCCO2 1355190591 ONGOQGVVLRSDJC-DHZHZOJOSA-N 442.515 4.973 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(Br)c(F)c3)cc2)nc1 1357165148 DYDHYEZSNAXIPW-UHFFFAOYSA-N 426.245 4.828 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1358877487 FSMJCZBLPFIOMS-CJNGLKHVSA-N 435.316 4.601 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1358905700 ITQWTWRJOXVFRV-QFBILLFUSA-N 430.394 4.998 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C)c1 1358905759 KNNOOARTMHYOIC-UHFFFAOYSA-N 426.362 4.784 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1358917548 ULOWTOIMBLYUMV-UHFFFAOYSA-N 425.646 4.603 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1358933382 RNOUVALHLRMQRY-ZCYQVOJMSA-N 433.644 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCc2cccnc21 1359116569 QDRLIHDHNUAJBT-NRFANRHFSA-N 447.583 4.783 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1359116823 AIYGIZDVHVHSAP-NRFANRHFSA-N 425.577 4.513 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCCC1(C)C 1359128012 HMTRIBPGDYGVMG-UHFFFAOYSA-N 425.396 4.741 30 10 IJEE C=C(Cn1c(N2C[C@@H](C)CC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1359140910 QBNJZOIRYWYTKK-RXFWQSSRSA-N 438.616 4.905 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCOC2)C1 1359156388 DFOGIXYOHCVLJC-IBGZPJMESA-N 425.385 4.593 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1359173629 KOKUQGQDFGSDHR-LBPRGKRZSA-N 430.906 4.648 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(Cl)nc2C1 1359190692 ZRRAMSKKQLYACV-UHFFFAOYSA-N 443.020 4.847 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1359220023 LUDAHTDGXRYRCG-LAUBAEHRSA-N 442.560 4.990 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)C)C2)s1 1361249756 DNEOFSPZTXVTKU-OAQYLSRUSA-N 448.640 4.944 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)C(F)(F)c2ncccc2Br)c1 1435010026 WUQFJPVLNLCFIG-UHFFFAOYSA-N 431.236 4.744 30 10 IJEE C=CCCC1(CNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)CCCC1 1437638231 JDLGYNVXWOTCGA-UHFFFAOYSA-N 442.419 4.646 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@@H](c3cccc(F)c3)OCC2(C)C)cc1OC 1461604190 FPNYYVKKBPZVLU-XDQZKXAQSA-N 425.500 4.791 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(I)cc(Br)c1C 1463200516 AFIFQCUHHCMPCR-CYBMUJFWSA-N 448.142 4.933 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2Br)C2CCCC2)s1 1463311147 AXTOXMOEWYTQLL-UHFFFAOYSA-N 425.373 4.516 30 10 IJEE Cc1nn(CC(=O)N(CCC#N)c2ccc(F)cc2)c2nc(C(C)C)cc(C(F)(F)F)c12 1464851610 AMMQGEIYKBZPNX-UHFFFAOYSA-N 447.436 4.968 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc(CN3CCCCCC3)cc2)c1 1465525824 HAHRMCVMYXPFKD-UHFFFAOYSA-N 428.483 4.857 30 10 IJEE C#CCN(C(=O)NCC(C)(C)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1470737100 ZHLCALPTGMTHKZ-FQEVSTJZSA-N 441.369 4.895 30 10 IJEE N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 1473132030 AOKQDQIZPVBKQN-UHFFFAOYSA-N 433.914 4.976 30 10 IJEE CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccc(C)cc1 1473341559 AOCNPPOIFSKEHL-XMMPIXPASA-N 430.552 4.962 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc(OC)c1OC 1476238430 IQHHTOZPVVRSNU-UHFFFAOYSA-N 442.409 4.834 30 10 IJEE C=CCC1(CNC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)CCCC1 1477272931 SPZMCPQKOLTWJC-UHFFFAOYSA-N 446.639 4.945 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 1477761633 BABZCADKZAGXIO-FQEVSTJZSA-N 436.552 4.622 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CCC(F)(F)CC1 1495748870 AVQDOBZHAHWWPQ-SFHVURJKSA-N 442.558 4.815 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)N1CCCC1 1500040326 IDDBFRIPAZNSKE-UGKGYDQZSA-N 432.572 4.872 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1507555608 CHNNIAQOJZGWTN-OALUTQOASA-N 427.980 4.581 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1507557438 QOYZHSOJWPFVRR-PMACEKPBSA-N 431.625 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCC1CC1 1507662112 DUFQDNVOFBYZNX-UHFFFAOYSA-N 431.765 4.624 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccccc1C 1507748950 NTQWRYLASKPNNU-UHFFFAOYSA-N 425.989 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1507911631 NQSPSWQLWJSBBU-MRXNPFEDSA-N 446.979 4.599 30 10 IJEE C=CCCCCn1c(N2CCS[C@@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507937256 OTRDSSBSKKRAJK-OTWHNJEPSA-N 449.665 4.737 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@](C)(O)c1ccsc1 1507997840 GVWQVPAZXMDXHZ-QHCPKHFHSA-N 426.586 4.572 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1ncccc1C 1507998718 IVFYDWYJTJBCEI-UHFFFAOYSA-N 426.568 4.827 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@H](C)c1cccc(C)c1 1508010984 JKGFPWILPGDQGK-FQEVSTJZSA-N 449.624 4.767 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCSC1 1509302260 HQQONUMVSFPYTA-XUVXKRRUSA-N 433.666 4.716 30 10 IJEE Cc1csc([C@H](C)Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@@H](C)CC#N)n1 1511452890 HTJJHTFJGMDBNC-AEFFLSMTSA-N 433.585 4.588 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n1 1515218886 DKKVHAJKAQNDFH-HSZRJFAPSA-N 448.404 4.920 30 10 IJEE CCOc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OCc3ccccc3C#N)cc1)CCO2 1523449599 ADJZMLGCWNJNOZ-DEOSSOPVSA-N 428.488 4.790 30 10 IJEE C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 1526993898 BQZRUMWMDYGCEJ-GAZXMLTASA-N 441.506 4.859 30 10 IJEE COc1ccc(OC(F)(F)F)c(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c1 1529471194 GLWPIRIPGXYKQB-UHFFFAOYSA-N 425.300 4.938 30 10 IJEE C#CCN(C(=O)c1c([N+](=O)[O-])ccc(C)c1C)[C@H]1CCOc2ccc(Br)cc21 1531553973 RBLNRRIHBMILAK-KRWDZBQOSA-N 443.297 4.573 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)C(F)(F)F)cc1 1532569629 BSIFZQQVVVROEH-NRFANRHFSA-N 446.352 4.800 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c(Cl)c1 1537030022 GDVHUFCFPQEKHW-WOJBJXKFSA-N 438.955 4.986 30 10 IJEE C=CCN(C(=O)c1cc2cccc(Cl)c2nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1537325081 IHGWXLOSAALTNO-JOCHJYFZSA-N 436.939 4.999 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 1538489346 MJAFJCLIDBJFOC-PMACEKPBSA-N 449.661 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1CCCC[C@H]1C 1538974097 RTSVBXDADPXEKR-LEWJYISDSA-N 430.600 4.524 30 10 IJEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(Cc1cccs1)Cc1cccs1 1539063775 UWWUAMUNARZTBY-UHFFFAOYSA-N 436.610 4.812 30 10 IJEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1539112105 IICBXNXXZNGXFU-CQSZACIVSA-N 434.491 4.546 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C[C@H]1CCOC1)C1CC1 1539140005 QFNHLKNOZHVXDK-MRXNPFEDSA-N 449.382 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)NC(C)C 1539651144 ALSMTZRJONTZAU-UHFFFAOYSA-N 431.993 4.740 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@H](C)C1 1539691117 ITYICOMDVGCTCL-BETUJISGSA-N 425.758 4.551 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1539787601 PRRPOPRDXYPGCY-HRAATJIYSA-N 448.995 4.746 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC1 1539945963 XUUQVGSATNJQKP-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1539952296 ATOKWJWMADNMML-OAQYLSRUSA-N 449.599 4.788 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1539975243 PLRRLMKKNIVRAK-IBGZPJMESA-N 449.393 4.511 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1540360576 XDAJDMADYCPVPM-CZUORRHYSA-N 428.982 4.677 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(C)cc2OCC(F)(F)F)cc1OC 1543990769 RMKCCSWHTJAGMQ-YFHOEESVSA-N 435.442 4.839 30 10 IJEE C=CCn1c(C)cc(C(=O)CSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)c1C 1559341803 CZJMHXNMCCYPRD-UHFFFAOYSA-N 437.565 4.921 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cc(I)ccc1Cl 1562488795 MQLIPLMTIOPBNH-UHFFFAOYSA-N 426.641 4.601 30 10 IJEE CC(=O)c1cc(NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccc1F 1562776075 ILMOYEMRRYQMRH-GHMZBOCLSA-N 448.285 4.663 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1563436028 SKEMMFUUVFMVAJ-FQEVSTJZSA-N 431.939 4.680 30 10 IJEE C=CCCCCNC(=O)c1ccc(Br)cc1NC(=O)c1ccc(OC)cc1 1567929576 JJVSYSSNDMMXQK-UHFFFAOYSA-N 431.330 4.796 30 10 IJEE C=C[C@@H](C(=O)N1CC[C@H](Cc2cccc(I)c2)C1)c1ccccc1 1569420565 UCZQATNVYPQPBV-YLJYHZDGSA-N 431.317 4.652 30 10 IJEE C=CC[C@@]1(C(=O)N(C)C[C@@H](C)Cc2ccc(OC)cc2)CCCN1C(=O)OC(C)(C)C 1583923309 ZFKODBPZHVRKGU-DFBJGRDBSA-N 430.589 4.678 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)COc2c(F)cccc2F)s1 1585962262 MMEPLPLVDLJKNF-NSHDSACASA-N 432.945 4.701 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 1587437599 SLGDOFLRYJDQHS-AUSIDOKSSA-N 436.955 4.709 30 10 IJEE C=C[C@H](C(=O)N1CCC(Oc2ccccc2I)CC1)c1ccccc1 1587619503 UFLFXIARMWWDSN-SFHVURJKSA-N 447.316 4.631 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1587773240 FXBQABVCJSCSFV-UHFFFAOYSA-N 449.002 4.802 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1CC 1588189096 DCRQVQCQOPMVLM-UYAOXDASSA-N 439.401 4.997 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1594247014 DYACSYHLJYCMEW-UXHICEINSA-N 425.596 4.531 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1595026268 ICKBCRFMMWABSB-UHFFFAOYSA-N 428.993 4.951 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@H](F)C1 1595075906 NVFLLTVSKYAJEC-URVUXULASA-N 428.552 4.859 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCCC(C)(C)C 1595120356 SAUBJVXIKXZCFH-UHFFFAOYSA-N 427.568 4.672 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@H](C)C1 1595275687 LLTVRYJVHUBJQJ-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C#Cc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)c1 1618027482 SJBPEYYUUMQXAR-UHFFFAOYSA-N 432.545 4.955 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CCCCC2)ccc1OC(C)C 1619071687 IELYIBAUNOZEGE-GOSISDBHSA-N 425.577 4.917 30 10 IJEE C#C[C@H](C)NC(=O)C(Cc1ccccc1Br)Cc1ccccc1Br 1625828603 QJPYHXMXUBMXHW-AWEZNQCLSA-N 449.186 4.751 30 10 IJEE CC(C)c1ccc([C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)NC(=O)OC(C)(C)C)cc1 1628499895 ANFMDDKKRLFUEW-NBGIEHNGSA-N 425.573 4.966 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(Cl)c1N)[C@@H]1CCOc2ccc(Br)cc21 1633715097 XCSJNIULSZWQDA-MRXNPFEDSA-N 433.733 4.592 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2cc(C)ccn2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1638330707 BAJIIQWSGVZRPZ-UHFFFAOYSA-N 449.551 4.657 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c2ccccc2c1 1638600692 GJTJNNHZDFHLPD-GOSISDBHSA-N 431.330 4.848 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1639966053 GRORJVGFXJGCOI-OAQYLSRUSA-N 442.581 4.765 30 10 IJEE COc1ccc2c(c1)C[C@H](C)N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]2C 1645246441 DDGQYXIAZDSRLT-PXNSSMCTSA-N 442.563 4.921 30 10 IJEE C#CC[C@@H]1CCN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)C1 1648293343 ZMSLBIDRECOSOO-VGSWGCGISA-N 446.532 4.743 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(Cl)ccc2n1CC 1650915421 WQRFLOUWNQRALG-AWEZNQCLSA-N 427.332 4.684 30 10 IJEE C=CCn1c(SCc2cccc(OC)c2Cl)nnc1[C@@H]1COc2ccccc2O1 1651648502 UMYMFYFSLDBXCO-SFHVURJKSA-N 429.929 4.931 30 10 IJEE C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1654209901 BFWUQYZAMYRTSW-GOSISDBHSA-N 433.552 4.720 30 10 IJEE N#Cc1cccc(C2(NCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 1658616162 BQGBAXNARYEJON-UHFFFAOYSA-N 427.348 4.813 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1 1662729389 DQZTXWJZBMUJTN-ZWKOTPCHSA-N 428.945 4.528 30 10 IJEE C=CCN(CC(=O)OCC)Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1663550487 UCPKKAKZGOPKCT-UHFFFAOYSA-N 435.421 4.710 30 10 IJEE C=CCC[C@H](CO)NC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1665595616 OWYAQYNZRZDAKG-DHIUTWEWSA-N 441.641 4.597 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc1 1666638478 DUVHNUKZDFRYFU-SFHVURJKSA-N 436.556 4.991 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc(OCC4CCCCC4)cc3)C2=O)cc1 1668508115 CINPOIPLGUJDJB-DEOSSOPVSA-N 446.551 4.834 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2c(-c3ccc(C)cc3)csc2C(=O)OC)cc1 1671695974 VWFQIRCLXDLXHC-UHFFFAOYSA-N 434.517 4.844 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1 1673819633 JGSHHWZDJMZFHY-GOSISDBHSA-N 449.551 4.669 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c1 1674221601 PIBSPPAAJZILOL-QFIPXVFZSA-N 445.357 4.920 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C1CCN(C)CC1 1675763532 YIAFRFVYSNZPFB-JOCHJYFZSA-N 448.998 4.692 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 1677622882 XXRRTHRHFAAKCC-QRWLVFNGSA-N 433.346 4.589 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCCN2CCSC[C@@H]12)c1ccc(C(F)(F)F)cc1 1679306431 XQKWCYFVAZDGON-FHWLQOOXSA-N 427.536 4.592 30 10 IJEE C=CCC[C@@H](NC(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1680580582 LAVBMGNZQBWBMO-OAQYLSRUSA-N 445.604 4.657 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 1683497309 CESLYCMEEOZHEC-RUZDIDTESA-N 427.523 4.617 30 10 IJEE C=CCCC1(CNC(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)CCCC1 1683984642 FSRHVYNGZPQPDS-UHFFFAOYSA-N 441.391 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(COC)CC1 1690237784 AOVXVYXJMIBAEX-CTNGQTDRSA-N 445.007 4.833 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC[C@@H]1CCCCO1 1690555971 JLRUYVATYKGRNW-QHCPKHFHSA-N 433.556 4.501 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@H](C)C1 1690556098 MSFRZMFGPCTNHP-REWPJTCUSA-N 431.584 4.901 30 10 IJEE Cc1cc(C)n(-c2ccc(Cn3c(C4CCC4)nnc3N(CCC#N)CCC(C)C)cn2)n1 1693406345 ASLYONIEABHMKV-UHFFFAOYSA-N 446.603 4.558 30 10 IJEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1693709550 FWIWZIFESRLLNM-NHCUHLMSSA-N 434.632 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCN(CC(C)C)C1 1705478632 FDFMAPYEFRUDTB-PKTZIBPZSA-N 433.644 4.574 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)S[C@H](C)C1 1705543310 BUHGCNIPQLBJTF-HUUCEWRRSA-N 439.412 4.908 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCCS1 1705585666 HWFHOKQFRKUPRX-QGZVFWFLSA-N 449.407 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCO1 1705713225 XKKIIUXYBYSQDJ-FQEVSTJZSA-N 437.357 4.818 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@H]2CSC)nnc1C1(c2ccccc2)CCC1 1705740669 SDTKBVNEDNHLDE-NRFANRHFSA-N 426.630 4.673 30 10 IJEE C=CCCCn1c([C@@H](C)OCCOC)nnc1N1CCSc2c([nH]c3ccccc23)C1 1705812082 QSTLVDUNXJWENN-QGZVFWFLSA-N 441.601 4.562 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705815284 QMIILGXNDISCNZ-IBGZPJMESA-N 425.577 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(CCOC)CCCC1 1705835236 FARQAMIXYWHHQV-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN(C(C)C)C(C)C)C1CC1 1705851578 LGOWULYUKGZIBC-UHFFFAOYSA-N 446.437 4.981 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C(C)C)C1 1705859182 KOWJTABRDHVONU-HSZRJFAPSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CC1([S@@](C)=O)CC1 1705864276 WIHYQTKKJDAAHO-GDLZYMKVSA-N 447.029 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCCCC2)nc1 1705875117 HZTHYGAKGDKUTE-UHFFFAOYSA-N 446.574 4.620 30 10 IJEE CCc1nc(CCn2c(-c3ccc(Cl)cc3OC)nnc2N(C)[C@H](C)CC#N)cs1 1708987881 BPDUVHOFJSSOQO-CQSZACIVSA-N 444.992 4.607 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1722308549 NRPVZPRWJPXZJI-CEWLAPEOSA-N 443.636 4.725 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1cccs1 1722390545 DISWEUPBNXISJV-GOSISDBHSA-N 438.984 4.839 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1cscc1C(F)(F)F 1722398635 GEQWFGPYIZOOGA-UHFFFAOYSA-N 434.512 4.522 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cccc(F)c1 1722404931 HAVKPPZYGCSTSM-QGZVFWFLSA-N 438.572 4.809 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(C)C)C1 1722452374 TXLZWGLYIMZSJI-MOPGFXCFSA-N 430.593 4.796 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722543534 QPACOMREOUTOPN-ZWQIFLOQSA-N 437.371 4.543 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCC 1722587795 ALBPYWDNLLSTCK-MOPGFXCFSA-N 449.640 4.814 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CSc2ccccc21 1722633270 RJEJYXVNYUNCFJ-CQSZACIVSA-N 444.402 4.558 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)OC(C)(C)C1)C(C)C 1722667793 XEAHNYHOQYAKCI-LEWJYISDSA-N 431.669 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cc(C(C)(C)C)no1 1722669377 SQGUXCJUAKTBJD-UHFFFAOYSA-N 443.555 4.643 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCO[C@H](C)C1 1722674200 PBTTWEXYXWSVSK-FGZHOGPDSA-N 434.584 4.821 30 10 IJEE CC(C)N(CCCn1c(CCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1723535629 ALVFWOBWKVDXFN-AREMUKBSSA-N 436.648 4.702 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(CC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1727712881 GNVRZKMOLKPIAU-HSZRJFAPSA-N 434.632 4.782 30 10 IJEE COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2ccc(Cl)s2)c1 1730007189 CENLMPWSKXWBSH-CQSZACIVSA-N 445.976 4.658 30 10 IJEE CS[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1731032856 DSNSMDAICGAJES-LIRRHRJNSA-N 434.407 4.589 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC(C)(C)C)CC1 1740578658 LAJVRVJBVUGQAI-NHCUHLMSSA-N 430.637 4.784 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C(C)C)cs1 1740728393 WWCZUKAZBYSXNU-OAQYLSRUSA-N 426.977 4.614 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740783336 ALPRYFOEJZRYTF-UTKZUKDTSA-N 432.996 4.689 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(C)ccc21 1740788572 WJUGJKRZMOFDIA-UHFFFAOYSA-N 442.361 4.631 30 10 IJEE C=C(Cn1c(-c2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1)c1ccccc1 1740798269 DWGOOGKNPZMPKT-UHFFFAOYSA-N 430.600 4.612 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1740804459 ACOFCHBLXSGHIG-UHFFFAOYSA-N 432.355 4.575 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](COC)C1 1740813248 AEXOIPUYKDSCFF-IBGZPJMESA-N 432.996 4.904 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@H]2CCC[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740816015 RQOZGJPTBBKDLB-BGTYHANMSA-N 438.016 4.816 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccs2)N(C)C)CC1 1740839713 MDBPCLIBAIHEJT-OAQYLSRUSA-N 439.604 4.775 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1c(C)noc1C 1740935075 AXWRGGKTEDRHEY-GOSISDBHSA-N 430.556 4.917 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1740945515 UOBMTMWXNXBJQL-UHFFFAOYSA-N 449.773 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CCN(CCC)CC1 1748638958 ACDWGXGGKSOHMB-RBBKRZOGSA-N 437.632 4.615 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCCC(F)(F)C1 1748836257 SFZFSGHWEBUTMZ-IBGZPJMESA-N 433.506 4.782 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CC[C@@H](F)C1 1749053789 LWLULDFXRRVHMN-TXNPELCJSA-N 440.563 4.947 30 10 IJEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749103863 FNRVVAIIVOHLCF-RDTXWAMCSA-N 447.377 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1C 1749124493 OCALYRNARLMLPP-BXWFABGCSA-N 431.378 4.678 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cc(F)cc(F)c2)CC1 1749345562 MKQAFEZGLVTBTL-UHFFFAOYSA-N 429.540 4.557 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749413448 VNLDODXOGIHYAJ-BJLQDIEVSA-N 429.996 4.711 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1749433972 CBEYRIRQARZMTJ-UHFFFAOYSA-N 434.588 4.732 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCCCC1)C1CC1 1749511055 RBSARSCGNRYOLE-UHFFFAOYSA-N 449.368 4.697 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1CC 1749532013 RSKQCKRQBFLWCW-FGZHOGPDSA-N 429.572 4.569 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1749690058 MHCOZSBFWWWJGU-JOCHJYFZSA-N 437.632 4.544 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCC2CCOCC2)c1 1751444083 CSYLALXFCCTRKL-FQEVSTJZSA-N 439.604 4.844 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1760273841 DSZLQGFQFJMPTA-YJBOKZPZSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)c(F)c1 1760324522 KJEPTJXEXGFROD-AVRDEDQJSA-N 444.551 4.826 30 10 IJEE C=C(Cl)Cn1c(N(CC)Cc2ccc(Cl)s2)nnc1[C@]1(OC(C)C)CCOC1 1760388995 ZSVSWOBIGSVLBM-IBGZPJMESA-N 445.416 4.813 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760412421 KWFUJGYFJLPELF-NHCUHLMSSA-N 446.542 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1760414814 DGICWCNOAMRTCL-QHCPKHFHSA-N 449.599 4.726 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760424465 INXSOBXSHAIWME-UGKGYDQZSA-N 444.023 4.502 30 10 IJEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1760440712 OWXDUFCJOSWSKI-QFBILLFUSA-N 437.371 4.633 30 10 IJEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760443384 GNACPFXYDDQJPR-HXUWFJFHSA-N 432.515 4.704 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2cccc(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1760444856 SSBCJIQZKYIZTG-XUZZJYLKSA-N 428.552 4.766 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1csc([C@@H](C)OC)n1 1760459344 POXSCVQVKDBYNW-CYBMUJFWSA-N 448.390 4.542 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1C(C)(C)C)C(C)C 1760489782 JWDDRFCXNLUEGP-NHCUHLMSSA-N 433.710 4.852 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760512354 BWOUZCFNHKLVJQ-NRFANRHFSA-N 434.588 4.588 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(Cc1c(F)cccc1F)C1CC1 1760564578 BWGXYFIDKIBMBI-FQEVSTJZSA-N 434.556 4.886 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCCCC1 1763980341 FPKSHLVWTFWMBA-DEOSSOPVSA-N 434.632 4.826 30 10 IJEE CC[C@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(CC)(CC)OC 1765071339 HNTJERNGFYVDCA-ICSRJNTNSA-N 425.577 4.559 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccc(OCC(C)C)c1 1861761891 SGCAYUMZHDNSGU-LADGPHEKSA-N 446.632 4.554 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1861839031 PADCOJVNIXWCDM-SFHVURJKSA-N 443.997 4.576 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 1862468247 KMNIWHVKMQJFGQ-SFHVURJKSA-N 432.289 4.823 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C(C)C)c1 1862469672 SZEYJEZHZUZGHT-IBGZPJMESA-N 444.325 4.835 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862479334 DXQBLKBFRIONSA-HSZRJFAPSA-N 433.504 4.677 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(O)c1 1862523495 IULNIYGGMPYFQS-KZULUSFZSA-N 430.298 4.532 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)c1 1862798459 GXFMSMSTBCFSEN-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)c(C)c1 1862943068 KNNDTHGXRKTXDQ-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863336992 SXFJTOYFMRKZMG-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1cccc(C)c1 1864858909 VASVIHMJPUIKOK-OAQYLSRUSA-N 438.616 4.852 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(Cl)c(Cl)c1 1870137482 OYLBTSVAGCGIET-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C#CCOc1cn(CCCOC(C)C)c(CSc2nc3ccccc3s2)cc1=O 1870300664 PLOLMUZWSGPGMX-UHFFFAOYSA-N 428.579 4.577 30 10 IJEE C[C@@H]1C[C@@H](C)CN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)C1 1870348730 KHSAIZSOOZZYAN-FGZHOGPDSA-N 441.575 4.825 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN2CCN(CC)CC2)cc1=O 1870417006 ZLIDTASSDNCAGS-UHFFFAOYSA-N 439.644 4.692 30 10 IJEE C=CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870810745 PQECJZLHPIXZIE-XMMPIXPASA-N 431.536 4.948 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871435192 YUHOJECABBVHAN-CBOXRNDFSA-N 449.503 4.914 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O 1871458342 GIWKJLOOSCNMSJ-OYKKKHCWSA-N 429.472 4.891 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1871757910 AYTQSBYQOBCZAW-JOCHJYFZSA-N 446.638 4.631 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1871786453 ZPNKUQLXEBAQGX-LJQANCHMSA-N 441.380 4.978 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871861848 ROQPJGIVEVPSLL-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 1871893020 GMKGLJSLLHQKIA-JOCHJYFZSA-N 446.638 4.631 30 10 IJEE C=CCNC(=O)c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2n1CCCC 1873580238 KMMRBBPOKHJNCW-UHFFFAOYSA-N 431.584 4.606 30 10 IJEE C=CCn1c(C(=O)Nc2cc(OC)cc(OC)c2)cc2c(N(CCC)CCC)ncnc21 1873665310 DKLULSIFPHYAKO-UHFFFAOYSA-N 437.544 4.513 30 10 IJEE COc1ccc(OCCCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874219760 CKADXDOKWUUDFZ-YZSQISJMSA-N 447.564 4.801 30 10 IJEE Cc1cccc(C)c1OCCCc1nnc(SCCO)n1/N=C/c1cccc(Cl)c1 1874227862 GXEOSKZMSVMNKR-BUVRLJJBSA-N 444.988 4.527 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874385078 XDENLZWHJUCBGF-FOKLQQMPSA-N 444.944 4.775 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccnc2)c(C)c1 1874457790 IABZHJCPMIMNHU-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1CCCOc1ccccc1Cl 1874568500 BVBAATBEXTXNHM-ZVHZXABRSA-N 438.940 4.973 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(OCC)cc2OCC)cccc1OC 1874589555 RMSBUVWTBMAFPV-SDNWHVSQSA-N 442.508 4.721 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)OC)c(OCC)c1 1874589631 WFRWWFAPZXWKMU-JXMROGBWSA-N 448.899 4.594 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1Br 1874606776 GPYDFUXOXMJHQN-VMPITWQZSA-N 446.341 4.567 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Br)c(OCCO)c(OCC)c2)cc1 1874615229 NAFAGNCFCQRPOP-BJMVGYQFSA-N 435.314 4.514 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(OC)ccc3OC)c2)cc1 1874697785 PSMFGHHLBWSHMX-NTUHNPAUSA-N 432.472 4.757 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1874698323 QMKPJVDBWRYLGF-LHHJGKSTSA-N 431.400 4.635 30 10 IJEE C#Cc1cc(CC(=O)O)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1887521031 STHHCJZDYQINLB-UHFFFAOYSA-N 425.484 4.989 30 10 IJEE C#C[C@@H]1N(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CC1(C)C 1899917188 YRWPNMHVPDVNOQ-WDNCENIBSA-N 444.575 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 1922073442 DKFMOVGJDUCBKL-DHIUTWEWSA-N 426.557 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C[C@@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2001937508 HIKVFDJJGUZAER-KKSFZXQISA-N 436.557 4.996 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1ccc(F)c(F)c1 2033813984 JKUKNGJITKXZKU-LJQANCHMSA-N 427.428 4.510 30 10 IJEE CC1(C)OB(c2cc(C(F)(F)F)cnc2N(Cc2ccccc2)CC2CC2)OC1(C)C 2052612498 ZDWWEHBYKJCWAZ-UHFFFAOYSA-N 432.295 4.816 30 10 IJEE CCc1ccc([C@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2079061628 ZHORTHCAVQCUCX-PGNNWUFWSA-N 437.325 4.981 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)c(F)c1 2079089462 DNEBBHNHWVPAFP-INIZCTEOSA-N 435.284 4.858 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C#N)c2Br)c(O)c1 2079848582 JXIZWWHRBGPNDI-CQSZACIVSA-N 430.224 4.640 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c2nsnc12 2137370915 CRIDPRFSNCQNPH-KBPBESRZSA-N 441.395 4.574 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(C[C@H](O)c1ccc(Br)cc1)C2 2169734253 GBDBUAQWMQIHJR-BZSNNMDCSA-N 435.362 4.944 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(c1cc(Br)c(C#N)cc1F)C1CC1 2174812329 JYLSLQLNORGRDL-OAHLLOKOSA-N 438.341 4.828 30 10 IJEE CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(C#N)c1 2180921772 QRLJWEOZZPFCHK-INIZCTEOSA-N 438.366 4.979 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3cccc(Br)c3Cl)c2)OC1(C)C 2199713233 MKIUPTJSAKTCSO-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CCN[C@H](C#Cc1cccc(Cl)c1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216978243 WTMGXFOAZYZZKO-PKTZIBPZSA-N 442.987 4.780 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2235726293 DSTGAFFWKCRPFJ-UYAOXDASSA-N 435.406 4.862 30 10 IJEE COc1ccc(C#C[C@@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2237752162 RNHWTHUGCTZZBO-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CC1(C)OB(c2cc(Cl)cc(C(=O)N(Cc3ccccc3)CC3CC3)c2)OC1(C)C 2247915544 DUHCZSPBBIXIFB-UHFFFAOYSA-N 425.765 4.692 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1F 2255858138 LKEHGRXDJKDKDT-NWDGAFQWSA-N 438.280 4.733 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2260842893 FCERTWRCJFJYFT-ZJZGAYNASA-N 444.616 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C(F)(F)C1 2264424969 WFSSEMOSKWGMDH-LBPRGKRZSA-N 434.256 4.516 30 10 IJEE CCN(Cc1ccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267581184 OCGHFZBWJIVRMN-RTBURBONSA-N 444.381 4.864 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)C#Cc3ccc(Br)cc3)CCC[C@@H]12 2296221946 NPILNHLZXZRVJA-GCJKJVERSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)C#Cc1cccc(Br)c1 2296222324 QRZVEUGSRSKFFH-LJQANCHMSA-N 428.326 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@@H](N)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296222618 UDXNOOLYPVHQCB-PGRDOPGGSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)NC12CCC(C(=O)C#Cc3ccc(Br)cc3)(CC1)CC2 2296226829 JNNYDRGOCNDLHH-UHFFFAOYSA-N 432.358 4.987 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)F 2296272590 LKGBXKBJNFPGMU-MSOLQXFVSA-N 441.385 4.810 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2296275873 BKAZWINHRGVSIU-VAMGGRTRSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(N)C#Cc2cccc(Br)c2)cc1 2296283179 DBUJSIVWRXEJQH-QFIPXVFZSA-N 429.358 4.699 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC1=CCN(C(=O)OC(C)(C)C)CC1 2296297144 VYMRDHOVHORFNS-HXUWFJFHSA-N 433.390 4.736 30 10 IJEE CCCN(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317341762 FORCXEBSRCDCEX-UHFFFAOYSA-N 432.370 4.752 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)ccc1OC 2322234545 UPDAWQWURGGEHN-UHFFFAOYSA-N 446.960 4.706 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2322799105 MSWMVEXTCIRHQW-UHFFFAOYSA-N 445.471 4.605 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1OC 2323096889 AQMDEBAUIJNVNW-UHFFFAOYSA-N 448.446 4.997 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1OCC(N)=O 2323190030 BTWNZLXPFMCUFO-UHFFFAOYSA-N 446.341 4.515 30 10 IJEE CCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2324651446 NCBWVVWKBFNRDN-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(OC)c1 2324688252 KHIBBYSALQOPON-INIZCTEOSA-N 426.444 4.995 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(Cl)c1)C2=O)Nc1ccccc1C(=O)O 2325152556 YWUQDFRBCSSBOT-UHFFFAOYSA-N 449.846 4.672 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C)ccc3C2=O)cc1 2325491214 YVPCKSXTBHBRMQ-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCc1ccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCCO)cc1 2326152363 ULVLJGVSQSJNAA-UHFFFAOYSA-N 444.988 4.656 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2cc(F)ccc2F)nnc1SCC 2327458108 JYIUNAVSMZMSHH-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE CCC(=CC(=O)N[C@H](C(=O)Nc1ccccc1C#N)c1ccccc1)c1ccc(OC)cc1 2329552814 QWXYJSNCFYRPHQ-SANMLTNESA-N 439.515 4.856 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccco2)c1 2330068402 JUCHTBOEFIFWCG-GOSISDBHSA-N 445.548 4.944 30 10 IJEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1cc(OC)c(OC)cc1OC 2330578570 UGWXAGKUOLOTTC-UHFFFAOYSA-N 430.555 4.583 30 10 IJEE Cc1ccsc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H]1CCCO1 2330938947 ZHCRBMABRSJMRU-MRXNPFEDSA-N 429.527 4.582 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1sccc1C 2331635388 VYPVALSJFRUXQB-UHFFFAOYSA-N 427.599 4.776 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cccc(F)c1 2331636975 JVKCYQWTTIIDBA-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)C=Cc1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1 2331747135 VGXWXORBSBETAR-UHFFFAOYSA-N 443.761 4.929 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)c1cnccn1 2331761534 CDSKYWOAVYOJBS-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2332153530 USVGXFBOYDARFG-UHFFFAOYSA-N 449.514 4.737 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(Nc2ccc(C#N)c(Br)c2F)C1 2336400576 RVDPRTOHPKMJDS-INIZCTEOSA-N 434.256 4.516 30 10 IJEE CN[C@H](C#Cc1nc(C)cs1)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2338371592 IZTGTWFEIVJVNX-OAHLLOKOSA-N 436.375 4.873 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339601438 YNTVYSSABWKGIK-OALUTQOASA-N 444.381 4.798 30 10 IJEE CC1(C)OB(c2ccc(COc3cc(F)cc(Br)c3)c(F)c2)OC1(C)C 2369094758 PEQALUKIIFDGPQ-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE Cc1cc(CNC[C@@H]2CN(Cc3ccccc3)CC2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2369612638 HVBXOCHMUSXCRH-XMMPIXPASA-N 448.460 4.542 30 10 IJEE O=C(/C(=C(\S)Nc1ccc(F)cc1)[n+]1cccc(O)c1)c1cccc(Br)c1 10828529 HTEDXHCXJDEAGH-UHFFFAOYSA-O 446.321 4.632 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2OC)cc1OC 28052633 ZUMQRARXBVIOAJ-GYCJOSAFSA-N 446.503 4.967 30 10 IJEE COc1cccc(C(=O)Nc2cccc(N3CCCN(Cc4ccc(C#N)cc4)C3=O)c2)c1 34735450 KACGEHBYJKNEFK-UHFFFAOYSA-N 440.503 4.651 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 34954434 GXZFBJOTJFXCNJ-RZNTYIFUSA-N 433.416 4.727 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)cc1OC 41292366 XMSAZVKLXBOGIT-XKZIYDEJSA-N 434.419 4.987 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(CCC#N)CCc1ccccc1 100438053 FVSDUXBLEAZEQP-HNNXBMFYSA-N 435.749 4.855 30 10 IJEE C=CCOc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)cc1 111027022 KXOBJYYQBUARQR-UHFFFAOYSA-N 426.314 4.975 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc(Cl)c1OCC(C)C 169896920 PYFMTJQNOYBJKT-MXAYSNPKSA-N 440.931 4.970 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)s1 169953558 QSIJFFWFISNRNU-FQEVSTJZSA-N 433.533 4.609 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OCC(C)C)c1 170040233 GSJUXVUUDANUNB-QHCPKHFHSA-N 437.536 4.563 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)c1 170051554 YATHXWVMBDFTOD-QHCPKHFHSA-N 441.483 4.873 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c[nH]c3ccccc23)s1 170076908 JDHLRPDNJXKRPI-LJQANCHMSA-N 433.489 4.613 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C 170087669 HMCSPHMQOLRAKN-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1cccnc1 170190434 AHVCVJKEWLCTAU-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1C 170230201 GFAOHRKOGSSULJ-OFNKIYASSA-N 435.520 4.541 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1 170230569 NMYRIPDZBFRYRC-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 170231130 JATSTWLEIMGOJG-DEOSSOPVSA-N 442.515 4.895 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc(O)c1 170259579 LFEGCKKXGVDXAX-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cn(C)c2ccccc12 170269702 SWTVLQVHCQLYKS-QFIPXVFZSA-N 444.487 4.921 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccccc1C 170278136 MULNKAIZWDIHEZ-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(C)o2)c1 170300019 YVAYNHOJYFJIGW-NRFANRHFSA-N 432.432 4.896 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)o2)cc1C 170308000 CEHMIXYFEMLPCU-QHCPKHFHSA-N 446.503 4.859 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2CCC)c1 170324505 VNFRWOFGNFEUFF-QHCPKHFHSA-N 435.520 4.865 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1cccnc1 170480998 JVQXDAMDSNVTBP-HSZRJFAPSA-N 428.488 4.786 30 10 IJEE COc1ccc(C=NN=c2scc(-c3ccccc3)n2-c2ccc(O)cc2)cc1OC 252477872 WVFWROJDDQXCEB-UHFFFAOYSA-N 431.517 4.863 30 10 IJEE CCCCCCOC(=O)CSc1nnc(N/N=C(/c2ccccc2)c2cccs2)[nH]1 253562157 CXZVFSNAFGZMCH-NMWGTECJSA-N 443.598 4.946 30 10 IJEE CCCOC(=O)c1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1N1CCOCC1 254291439 LJMWPDKKADKDDX-UHFFFAOYSA-N 437.323 4.853 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)CCc2ccc(C)o2)nnc1-c1ccc(Cl)cc1 460525640 IXWGQCQWVJOUML-HNNXBMFYSA-N 444.988 4.916 30 10 IJEE C=CCN(C(=O)c1sc2cccc(F)c2c1COC)c1nc(C(=O)OCC)cs1 501947243 QSBUXGFZALWEDX-UHFFFAOYSA-N 434.514 4.653 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1cc2ccccc2nc1O 502959395 ATNFEEAPLDOSRB-UHFFFAOYSA-N 443.316 4.989 30 10 IJEE COc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1O 526518528 ZDUFPFCVSJFVOJ-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)n(C2CCCC2)c1C 539336032 ASIAMPHNFIEKCZ-GOSISDBHSA-N 430.556 4.567 30 10 IJEE COc1ccc([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3Cc3ccccc3)C2)cc1 549155263 QPYWKMHEVWHFRC-XMMPIXPASA-N 435.531 4.868 30 10 IJEE C=CCCCN(C)c1nnc([C@@H](C)Oc2cccc(Br)c2)n1C[C@@H]1CCOC1 550025046 PPYKLROHYDQGOH-SJORKVTESA-N 449.393 4.620 30 10 IJEE C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 559027296 AKFXMKKAOQZLFE-LJQANCHMSA-N 446.599 4.509 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(OC4CCCC4)CC3)n2Cc2ccccc2)c1 568113123 MDVREXALNYHJBK-UHFFFAOYSA-N 427.552 4.793 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ncsc1Br 572789595 RGFCBQBTPNZFNB-UHFFFAOYSA-N 434.128 4.636 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)[C@H]2CCCN[C@@H]2C1(C)C 693777261 XJTNCIMJSAQQKD-XGHQBKJUSA-N 434.378 4.861 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@]1(C#N)CCc2cc(Br)ccc2C1 698825277 OEYXQYPBBPKZHN-QGZVFWFLSA-N 433.268 5.000 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 698840011 QEEKCSRCQUIQCE-KUHUBIRLSA-N 435.487 4.858 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)cc1 698982585 BZFDRKVXXJJNEU-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE C=C(COCCC)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705410246 RJKYVVVZLMMFTA-AKIFATBCSA-N 434.621 4.836 30 10 IJEE C=C([C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)C(F)(F)F 707816974 BRBAWNREWQMXBM-NEWSRXKRSA-N 430.511 4.972 30 10 IJEE N#C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)CCN1C1CC1 732698845 KXDFFNORBIUBOS-KRWDZBQOSA-N 430.430 4.702 30 10 IJEE CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H]1CCN(c2ccccc2F)C1=O 732877780 HYPRFAAZNKJDIY-QPPBQGQZSA-N 442.494 4.750 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(C)c(C)c1 742211883 BZYSPNDJOMNIAP-JOCHJYFZSA-N 444.560 4.549 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)ccc1Cl 745229846 JUFFBMCCCYFPTL-SJLPKXTDSA-N 432.854 4.520 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)CCc2c[nH]c3ccc(C)cc23)nc1C 746239119 DOXYEVZQTMYKCP-UHFFFAOYSA-N 438.582 4.546 30 10 IJEE CC(C)(C)OC(=O)c1ccc(C=Nn2c(S)nnc2CSc2ccccc2)cc1 764907675 OFYMMOMJSNEJRV-UHFFFAOYSA-N 426.567 4.697 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN(C)Cc2csc([C@H](C)OCC)n2)c1=S 765036385 LMBWYMIBEPSXPS-INIZCTEOSA-N 444.630 4.696 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CCCN1C(=O)OC(C)(C)C 790522688 CLJUWVXMVHBCBG-DVECYGJZSA-N 440.544 4.699 30 10 IJEE C#C[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 812749398 NRAIIRVWAQEJNQ-GOSISDBHSA-N 439.840 4.600 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CC(C)C)C2=O)cc1 916215094 CZJGGJWSPHHLJY-OAQYLSRUSA-N 437.565 4.814 30 10 IJEE CCCCNC(=O)NS(=O)(=O)c1ccc(N=Cc2cccc(Cl)c2Cl)cc1 1083929415 FWTSIBGUYXCKGT-UHFFFAOYSA-N 428.341 4.532 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccccc1C)c1ccc2c(c1)OCO2 1124212336 KTPPSXNWRHJUOP-UHFFFAOYSA-N 431.488 4.901 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1nc2ccc(Br)cc2s1 1124234186 GMEGDLZOFLZROE-UHFFFAOYSA-N 437.116 4.945 30 10 IJEE C#CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1124328399 ZHKMKOLDGAVAAX-UHFFFAOYSA-N 440.565 4.786 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCN(Cc4ccccc4)C3)c2)cc1 1125198856 FFRLHDVZUBUGGC-XMMPIXPASA-N 425.532 4.792 30 10 IJEE C=CCc1cc(C(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cc(OC)c1OC 1125929776 SRTFDTYYYYDBNP-SSOJOUAXSA-N 446.588 4.636 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 1128409430 HJBKCGLJZFDNMY-UHFFFAOYSA-N 432.545 4.809 30 10 IJEE C[C@H]1CCc2sc(NC(=O)c3cc(Br)c4nccn4c3)c(C#N)c2[C@@H]1C 1129354697 ADBICAPVMFDWPN-WDEREUQCSA-N 429.343 4.968 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1129731776 YUKKNSOEFOBFLQ-SJCJKPOMSA-N 426.232 4.726 30 10 IJEE N#Cc1cc(Cl)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c(Cl)c1 1135793530 BVXXZJOLFXRYSC-UHFFFAOYSA-N 433.320 4.564 30 10 IJEE CNC(=O)CC1(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCCCC1 1148549112 DJNSBEQYJYRXRN-UHFFFAOYSA-N 439.943 4.820 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(C)=O)c2ccccc12 1150098174 CYAKMZJNYDULGG-GOSISDBHSA-N 432.904 4.740 30 10 IJEE Cc1cc(C2(NC(=O)c3nc(O)c(C#N)cc3C)CCCCC2)ccc1Br 1161976096 CSTKCZCORBTMPK-UHFFFAOYSA-N 428.330 4.628 30 10 IJEE C=C(C)Cn1c(Sc2ccc(C#N)c(Br)c2F)nnc1-c1ccncc1 1162762099 CNTCTJBIDUVDAF-UHFFFAOYSA-N 430.306 4.841 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2cccc3c(Br)cccc23)[C@H](C#N)C1 1170127247 GINRUXHUFWGURF-MRXNPFEDSA-N 430.346 4.547 30 10 IJEE C=CCN(C(=O)CN(C)[C@H]1CC[C@@H]1OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1198667661 OZZZHGWWNSQBBJ-ROUUACIJSA-N 440.396 4.745 30 10 IJEE O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)N1CC(F)(F)OC(F)(F)C1 1204622829 CTIVYJGZXHXRIU-UHFFFAOYSA-N 429.317 4.879 30 10 IJEE C#CCN(C)CCCNC(=O)N(CC)Cc1cc(F)ccc1Oc1ccc(Cl)cc1 1251528778 SIWYLFPDBOKYTD-UHFFFAOYSA-N 431.939 4.758 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(=O)OC(C)(C)C 1286282654 RNKGVTJJVSEBRE-SFHVURJKSA-N 439.604 4.615 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1286316952 NFXFUZBWCVFLCT-CTNGQTDRSA-N 440.563 4.614 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C)cc2)CC1 1286335412 JWFTZEYQTZRVFD-DNQXCXABSA-N 449.643 4.635 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCCN1CCCC1 1286405732 JKZPNCRSZYVWDF-UHFFFAOYSA-N 431.628 4.582 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCO[C@H]1CCCC[C@H]1C 1286433636 IGMFBUZSAXYSFF-RDGATRHJSA-N 448.611 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCCC 1286553164 UKLNMIBCHHFTPZ-YOEHRIQHSA-N 439.423 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1-n1nc(C)cc1C 1286579377 NXGNCMUYOMKDJI-UHFFFAOYSA-N 441.583 4.517 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)C[C@@H]1CCCO1 1286602891 DICRRQWHEAUUNR-FQEVSTJZSA-N 444.645 4.874 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286631549 PBLIUSNWERYUMC-SFHVURJKSA-N 436.915 4.539 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COCC)CC1 1286651144 UJDQRSZLFITQEN-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CC)C1)c1ccccc1 1286681991 ZNQOZGMWYIBCRK-PZJWPPBQSA-N 449.624 4.866 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C)CCOCC1 1286730923 SNOLGVZUVWTYHD-UHFFFAOYSA-N 425.360 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC1 1286751221 NDEAMYZWUKFPKZ-HDICACEKSA-N 443.617 4.713 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccs1 1286766211 NQYCJHYLVIXNJI-MRXNPFEDSA-N 428.627 4.880 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286767363 PVVRNMMOYXXNQV-OKZBNKHCSA-N 445.405 4.783 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C(C)C)C1 1286771638 DACDVLRGPNFSHH-INIZCTEOSA-N 425.371 4.611 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCCS2)C1 1288974900 ICTKJPSLRAJFRD-XMSQKQJNSA-N 447.555 4.962 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1292324532 MJZUKDIWHNTQBU-UHFFFAOYSA-N 431.536 4.680 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCO[C@@H]1C(C)C 1300293012 NLGQMQNVIANNDW-SQGPQFPESA-N 445.405 4.617 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN(C)C1CCCCC1 1300430474 NATFWCUTUGNHHQ-QFIPXVFZSA-N 437.632 4.759 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nc(C(C)C)cs1 1300521999 ZQQRZNPUYZJKPE-UHFFFAOYSA-N 431.609 4.944 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(OC2CCCC2)nc1 1300611881 NJKKIBBISAFEKG-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCSC(F)(F)F 1300788382 YIUZODLPJCCUTB-AUUYWEPGSA-N 442.482 4.802 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 1301162860 DHOLCSCKQSDWGW-QFIPXVFZSA-N 447.583 4.511 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301197924 SIKLBYJTMRTXJG-AQNXPRMDSA-N 447.624 4.710 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1301260334 XJTGBVIKNMXSEU-NPPFBWRTSA-N 430.543 4.755 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](SC)C(C)(C)C)C1CC1 1301320359 AKFYKNBAIDQKNK-HXUWFJFHSA-N 430.618 4.895 30 10 IJEE CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC(C)(C)COC 1305554853 HONRHMHSEUKUGC-KNQAVFIVSA-N 439.604 4.694 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)Cc3cccc(OCc4ccccc4Cl)c3)n[nH]2)c1 1306906585 ACCHQUHUAPARGL-UHFFFAOYSA-N 443.894 4.757 30 10 IJEE C#CCC1(NC(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)OCC)c3)c2)CCCCC1 1310831672 CRNROANJJFEWGJ-UHFFFAOYSA-N 447.535 4.963 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 1312839711 NYEUIZBUMQCFOR-IZZNHLLZSA-N 447.554 4.827 30 10 IJEE C=CCO[C@@H]1CCN(Cn2nc(-c3cccnc3)n(-c3c(CC)cccc3CC)c2=S)C1 1320031537 XIWOAMZUFLZSGM-JOCHJYFZSA-N 449.624 4.824 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 1352417303 CXAMERKKWWKHSH-UHFFFAOYSA-N 449.475 4.870 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2cccs2)nnc1[C@@]1(OC(C)C)CCOC1 1358918028 JAZRWUZMXRMURA-WMZHIEFXSA-N 428.602 4.525 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(N(C)C)CCC1 1359002024 KWDRXVNSVISTNM-UHFFFAOYSA-N 428.005 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ncc(CC)s1 1359003692 UPVFWCSZESPSEC-UHFFFAOYSA-N 439.654 4.997 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCc2cccnc21 1359004107 JXWLYAAKIZODPG-SFHVURJKSA-N 435.959 4.582 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(Cc1ccc(F)cc1)C1CC1 1359081529 DXTFKVQRLCAHJR-UHFFFAOYSA-N 442.336 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@](C)(O)CC 1359116774 YDHQPJFUBUBCEB-FQEVSTJZSA-N 427.376 4.727 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1359120168 MAJRWAHZMWOZBC-ZWKOTPCHSA-N 429.996 4.696 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1359160766 CTNZRABQGPCTSY-UHFFFAOYSA-N 443.979 4.622 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCC(C)CC2)CC1 1359181643 BKJAXHPJZSGGSI-UHFFFAOYSA-N 437.632 4.554 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 1359193358 CNHNQTVYZOEOEI-YMPZKCBVSA-N 435.616 4.743 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](C)C1)c1ccccc1 1359193547 FYSFHDYGOTWEAE-RBBKRZOGSA-N 444.583 4.912 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359216254 SAHGEIDDSVTYPT-NQIIRXRSSA-N 426.561 4.541 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)CC[C@@H]1C 1359223354 IVNCCMYRNIYTJV-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCc1cccnc1 1359268950 JEOCYGIINJNQFW-UHFFFAOYSA-N 442.336 4.663 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1359290793 PNZBAVRXRSMEMY-RZUBCFFCSA-N 440.588 4.741 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N(C)Cc1cc(Cl)ccn1 1359340154 CVYHCLIVSARMQI-UHFFFAOYSA-N 429.977 4.558 30 10 IJEE C=CCOc1ccccc1CNC(=O)COc1ccc2ccccc2c1Br 1360571681 AXRQPJZVNPPSOR-UHFFFAOYSA-N 426.310 4.862 30 10 IJEE C#Cc1cccc(CNC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)c1 1436733515 PBZJDRGBWUVKNE-UHFFFAOYSA-N 447.332 4.542 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1OC 1448065116 CZGFCBGSBRZWNY-JNSUZQQQSA-N 431.536 4.562 30 10 IJEE O=C(CCCc1ccc(F)cc1)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 1457524350 GFQBXFALAYABKD-UHFFFAOYSA-N 430.345 4.556 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4c(Cl)cc(Cl)cc4[C@@H]3C)cc2C1=O 1457615963 FVLYSCMCCYYFQV-LBPRGKRZSA-N 429.303 4.535 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CCCN1C(=O)OC(C)(C)C 1458170259 BRSSBIRJYJEJDW-KOSHJBKYSA-N 432.536 4.890 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@H](CC)Cc2ccc(C(F)(F)F)cc2)c(C#N)cn1CC 1460983957 APKFUIHMAVLFMI-OAHLLOKOSA-N 435.446 4.783 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 1466207480 NMAKMCOAGZHJSA-VQTJNVASSA-N 441.572 4.590 30 10 IJEE Cc1nc(-c2cccs2)ccc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1467699133 FAOIPLISDFQGJL-NRFANRHFSA-N 436.968 4.795 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 1467931178 CZJLLEAVQHEEEF-UHFFFAOYSA-N 446.429 4.543 30 10 IJEE C=CCn1c(SC[C@@H]2CCCC[C@@H]2C(=O)OC)nc2sc3c(c2c1=O)CCCC3 1472931741 YSTJAGAJIRMCTO-GJZGRUSLSA-N 432.611 4.594 30 10 IJEE COc1ccccc1C1(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 1476580515 FJKYUTKYLJWWEQ-UHFFFAOYSA-N 443.551 4.903 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]2C1 1478806081 JHQWTLMMFFXONY-CBPXPLCBSA-N 427.589 4.509 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)c1cccs1 1502928138 HEUHVYXNTUHKFN-QGZVFWFLSA-N 444.564 4.918 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(SC)c1 1505227994 FSFKHUPRLOKHNR-MRXNPFEDSA-N 438.626 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@@H]1C 1507523710 QUOLEQPRHRVDTG-PMACEKPBSA-N 439.673 4.998 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1Cc1cscc1C(F)(F)F 1507541897 NBJBOGNDPJIUMR-HNNXBMFYSA-N 443.498 4.868 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1507547724 PTOWXYFLKPXBAQ-CSODHUTKSA-N 431.005 4.663 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1507557078 NRWDALVRVWCWPS-PIATZUFCSA-N 436.600 4.700 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@](C)(CC)C1 1507593609 RREVKJCMKKYQLN-DEOSSOPVSA-N 445.007 4.670 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507681803 CBURUNFJYHAFLE-BGYRXZFFSA-N 433.600 4.907 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(SCC)c1 1507763094 LWPCTJNTGPLUIR-XMMPIXPASA-N 433.581 4.501 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1507787149 CJDKGFRNMZXPJS-QZTJIDSGSA-N 437.426 4.703 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CCC1 1507803203 FGHMJIDRFKNIMM-JUXOCIIHSA-N 428.552 4.775 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1507834813 RUWNFAFOOIPKBH-LEWJYISDSA-N 428.552 4.746 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507852532 AWTNCOHTDGVISJ-OALUTQOASA-N 447.986 4.622 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1507926929 YDGXJKMLTZACME-UHFFFAOYSA-N 445.995 4.869 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507927569 YNMIQZFJYRPCGA-UGKGYDQZSA-N 444.023 4.502 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC([C@@H]2CCOC2)CC1 1507946947 SWVOSJCYTUYZAT-GOSISDBHSA-N 445.405 4.927 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1ccco1 1508000384 XQBYGPPHAWVYLV-AREMUKBSSA-N 445.567 4.576 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C2CC(C(C)(C)C)C2)C1 1508128733 ORODVLJLPNBKPT-AJTFCVKESA-N 440.588 4.644 30 10 IJEE C=CCc1cc(CNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)cc(OC)c1OC 1519363002 WVLVBWZEBJMDOM-GOSISDBHSA-N 446.547 4.907 30 10 IJEE CSC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1519676773 HAGBXRLSQXPETL-OAQYLSRUSA-N 437.613 4.827 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(Cl)cc1 1525038688 NLSCRCFSDTVCGU-YKSBVNFPSA-N 430.935 4.836 30 10 IJEE C#C[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 1528062220 YMTJGHYLCJPEEN-OAQYLSRUSA-N 430.870 4.831 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1 1529137323 TWRSVXNTYSUQPT-RCCFBDPRSA-N 447.000 4.838 30 10 IJEE C#CCOc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1 1531099222 XZAQCMKVHDMCFZ-UHFFFAOYSA-N 437.499 4.871 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cccc(I)c2)C(F)(F)F)cc1 1532559547 SQBVTVCGJNOTPF-HNNXBMFYSA-N 430.163 4.733 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1534582864 SCJPRUPSKRKONG-UHFFFAOYSA-N 447.000 4.814 30 10 IJEE C=C(C)c1cccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 1537409644 DCQDKPNPOWXCGU-UHFFFAOYSA-N 442.562 4.624 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccc(F)c(F)c1 1537693228 ZJJLZRVPIFOLOM-VBKZILBWSA-N 449.295 4.514 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CSCCS1 1538991545 ASYMIOZVTVWLGS-NQIIRXRSSA-N 444.670 4.677 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCCCc1nc(C)cs1 1539377088 KMMODXKXAKXKOH-UHFFFAOYSA-N 432.597 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCC1(C)C 1539541878 OACJWSYCLFCMTD-YCRPNKLZSA-N 430.394 4.854 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCOC2(CCCCC2)C1 1539585887 BUIHYECGKJVDMM-UHFFFAOYSA-N 431.378 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1539624516 TWFHTHKNPIGPMC-QKLQHJQFSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1539643284 LVNCZTKGKNMMFA-LGVFNWMJSA-N 438.616 4.753 30 10 IJEE C=C(Cn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1539771149 UPYRGNFTMMAMST-ATIYNZHBSA-N 438.616 4.905 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1540133844 OTZRYSDTQWQOIU-UKILVPOCSA-N 431.584 4.518 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 1540487427 YGWPPEYAPDAQIM-JKSUJKDBSA-N 435.977 4.996 30 10 IJEE CC(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)CC1 1541386103 FZMWBECNNYBWNU-UHFFFAOYSA-N 448.537 4.573 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Sc1nccn1C 1542491863 GPBIDIUQKPXXMR-QGZVFWFLSA-N 430.574 4.759 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1543920795 FVBNZQWSVSEZPK-MJGOQNOKSA-N 429.561 4.957 30 10 IJEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCOC2CCCCCC2)c1 1555002529 AYAAZIOUNUTVPJ-UHFFFAOYSA-N 437.588 4.823 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)c3sc4ccccc4c3C)ccc2c1=O 1556119007 PMXNTTRUYWOAJP-CQSZACIVSA-N 435.574 4.885 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 1556399285 IKLFELVUCXTYDQ-ZEQKJWHPSA-N 429.564 4.926 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1556558162 OCOHSIAUMSQLKE-PGRDOPGGSA-N 442.556 4.579 30 10 IJEE CC#CCN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1556824545 KIXYEIQYCIZKEV-UHFFFAOYSA-N 445.375 4.815 30 10 IJEE C#CCN(Cc1csc(-c2ccccc2F)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1560143302 XKRVCUSJGVHQDO-UHFFFAOYSA-N 429.561 4.784 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(C)cccc1Cl 1561208307 GNJAOIKCOITZKP-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1563430020 YWXDRDZQFCJTNO-XMSQKQJNSA-N 445.966 4.639 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 1565184211 RTVNXZHXGOBUAM-UHFFFAOYSA-N 430.593 4.769 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(OC)[C@H](C)CC)c1 1566351948 IYHQYCIFYQQPOZ-MRXNPFEDSA-N 436.961 4.523 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1568602398 RFOOKVDEFWSRII-KBMIEXCESA-N 432.564 4.858 30 10 IJEE C=CC1(CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)CN(C(=O)OC(C)(C)C)C1 1584842433 KNDFHWQXIXPULI-IBGZPJMESA-N 426.561 4.580 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@]23CCC[C@@H]2C3)ccc1Cl 1585010602 ZHMIIIVGOWKNGH-JPYJTQIMSA-N 444.984 4.641 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1587773156 CANDXXSYAKBPMZ-IBGZPJMESA-N 430.531 4.657 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1csc(C(C)C)n1 1588271426 IRMOREFJSPRCIA-QGZVFWFLSA-N 441.576 4.839 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1589295091 CKJWKAKXAKFGPR-VIFPVBQESA-N 438.317 4.812 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C)C1 1589358287 RQLLFNYXUBZRAV-GFCCVEGCSA-N 440.183 4.853 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cccs2)CC1 1589732062 ZYDYFUVMJGLTCA-UHFFFAOYSA-N 444.402 4.672 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C)CC1 1593717369 FNOYRBYOKAUBKL-FQEVSTJZSA-N 442.604 4.960 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1594225573 CIPFMBUKWNOHHZ-XMMPIXPASA-N 430.600 4.826 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CC[C@H]1C2 1594624775 BFGDCZXEOTWMEJ-ICSRJNTNSA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C(C)C)N1CCCC1 1594997221 ALCODNDLSLELIQ-QHCPKHFHSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@H](c1cccs1)N(C)C 1595127038 COIPXBIEHZQTTH-HXUWFJFHSA-N 425.577 4.852 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccsc2Br)C1 1595687726 CIZYITOFLYVVAC-OAHLLOKOSA-N 449.374 4.500 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1595854992 VBTUPENMAUVYHS-SFHVURJKSA-N 442.629 4.898 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCn1sc2ccccc2c1=O 1611099323 ZHTXCOVAYTZZMO-UHFFFAOYSA-N 449.345 4.570 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)o1 1614431088 FVNDHTKQEZESJO-NRFANRHFSA-N 432.572 4.986 30 10 IJEE COC1(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)CCC1 1619044025 DNLUGQIOEMAJTF-AZUAARDMSA-N 425.577 4.733 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1OC 1621355698 DRDWHBYPZYNWQI-UHFFFAOYSA-N 436.980 4.889 30 10 IJEE C#C[C@H](NC(=O)CCCCCCNC(=O)OC(C)(C)C)c1ccc(Br)cc1 1625077720 GMWZXSMKOCRVSA-SFHVURJKSA-N 437.378 4.715 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(Br)cc(F)c1O 1626171018 IBYNLYBSVSDJNN-UHFFFAOYSA-N 445.082 4.873 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 1629832762 URTWGPMYMUYWCZ-AZUAARDMSA-N 442.044 4.525 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 1631949267 ZUJBGBGMPYSTJE-IBGZPJMESA-N 442.947 4.576 30 10 IJEE C#CCN(CC1CC1)C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1631954378 RCZAVMWIXOWGQW-UHFFFAOYSA-N 438.593 4.515 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1636468929 FHDPMOQSCIBXQY-OAHLLOKOSA-N 438.380 4.818 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2ncnc3scc(-c4cccs4)c23)C1 1642550578 ANYPBOZPDICVCM-OCCSQVGLSA-N 427.555 4.591 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ncc(Cl)c(OCC)n1 1649608282 LAFRFLDSZUCFPA-UHFFFAOYSA-N 438.340 4.690 30 10 IJEE CC[C@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CN3CCOC[C@H]3C#N)sc2c1 1652713909 FVFCFRVGAVPOKJ-GHTZIAJQSA-N 448.592 4.567 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]1CCCN1CC(F)(F)F 1658966377 HUWJCABUODDQFB-LJQANCHMSA-N 446.473 4.594 30 10 IJEE CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccc(CN(C)C)cc1 1659651988 HMTKILYOFOKLLM-GOSISDBHSA-N 438.641 4.657 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3F)CCCC2)cc1C(F)(F)F 1663458500 HLDKVLBKELKJNE-UHFFFAOYSA-N 444.425 4.646 30 10 IJEE CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1c(C)cc(F)cc1C#N 1667775274 FGYKICOBPSNSLV-OAQYLSRUSA-N 443.931 4.854 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1scc(C(C)(C)C)c1C#N 1671685896 GWCJSDYPSAEUQT-CABCVRRESA-N 432.590 4.923 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C 1674202110 CERABGISNYAXDL-GOSISDBHSA-N 437.540 4.887 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1675441848 VYFZQWJIIAIBOQ-WOJBJXKFSA-N 425.548 4.727 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(Br)c(Cl)c3)CC2)nc1 1675595831 FLQPJKJKHSXQNJ-UHFFFAOYSA-N 449.736 4.881 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 1680515637 RLHDCAYSNGSIKX-RBUKOAKNSA-N 430.335 4.553 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCSCC=C 1689837623 JKCODBBPWVVYDW-CYBMUJFWSA-N 439.810 4.738 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1nccs1 1689863583 XBPHEPOFMTWQGG-ROUUACIJSA-N 437.613 4.873 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCCc1nc(C)cs1 1690061247 UFWBKHJLOVSLKV-UHFFFAOYSA-N 433.625 4.995 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CCC[C@H]1C 1690065281 RIXSVBHSZROMMC-OSPHWJPCSA-N 438.572 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCc1sccc1C 1690200358 UQLFJPBPXGMYQE-XMMPIXPASA-N 436.581 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1690208953 DCRMRWXNCZDHLL-RUZDIDTESA-N 435.572 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCC[C@@H](C)C1 1690257718 RPHCOTALRUFFBI-RTWAWAEBSA-N 447.631 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC=CCC1 1690262577 GFYWGUVTYYERSS-FQEVSTJZSA-N 446.599 4.824 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H]1CCSC1 1690334199 HFOKJGBXBSEHED-AWEZNQCLSA-N 427.799 4.710 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1690415375 JISZYNVKGYUTMI-WIYYLYMNSA-N 430.980 4.728 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1690453613 FKZWDFHOAXAREK-JOCHJYFZSA-N 449.559 4.864 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1690507840 YIHCIVANHPSCOH-UHFFFAOYSA-N 426.458 4.933 30 10 IJEE CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1691934218 DZRYTTXQYKIEMC-HXUWFJFHSA-N 436.947 4.569 30 10 IJEE COCC(C)(C)CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1 1697717303 CMFLVGOJCJQGFB-GOSISDBHSA-N 443.567 4.750 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC(C)(C)C1CC1 1705622562 LXHWNNWDEPEORT-UHFFFAOYSA-N 431.584 4.714 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1cccs1 1705731731 BHCMOQIFLDWBDM-INIZCTEOSA-N 427.530 4.705 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)CCCS2)CC1 1705761631 VNNRJOLTTMYSAI-QHCPKHFHSA-N 425.602 4.589 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1705777019 VSFZERCYXDNOIR-CMKODMSKSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C(C)C 1705788619 HDGWVCHQZHCROU-FQEVSTJZSA-N 430.618 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1705790322 QLRWPJDUVFHBEM-QFIPXVFZSA-N 438.664 4.834 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1705801868 UKAOQFBFIJTERV-LJQANCHMSA-N 436.304 4.645 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 1705817874 VAMFTQRJSXNJQV-AWEZNQCLSA-N 425.396 4.599 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CC(F)(F)CO1 1705837925 USZKWVYQFDRATM-INIZCTEOSA-N 434.487 4.859 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN(C(C)C)C1 1705861550 ILNTYJRCXYKIGK-DNQXCXABSA-N 437.632 4.833 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cccs1 1705863229 LGCYHTAHVLIPEN-QHCPKHFHSA-N 428.577 4.877 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCNc1ncc(Cl)cc1Cl 1705874215 HYPRIVIDEAWVHR-KRWDZBQOSA-N 437.375 4.512 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)C1 1705941509 MCLRAJKVKSNOLD-ZDUSSCGKSA-N 425.371 4.612 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC(F)F)cc1 1722341106 SIDMAWDJEYOTFD-WOJBJXKFSA-N 446.542 4.848 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)Cc1ccccc1 1722404631 CCDGIAUUTUDZIB-UHFFFAOYSA-N 447.652 4.867 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCC1CCN(CC(F)(F)F)CC1 1722471533 ISQLMYUQQIGWNC-JOCHJYFZSA-N 437.554 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1ccnc(OCC(F)(F)F)c1 1722518307 ZENQWUZELBUCKE-UHFFFAOYSA-N 425.499 4.654 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCC2)C1 1722583672 QNZDWLIPIWTVEY-GOSISDBHSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722589120 LNQLZFIDMHSFHV-UHFFFAOYSA-N 444.627 4.689 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1 1722593750 ZYQTVYGXCMANQJ-KRWDZBQOSA-N 435.638 4.506 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722608003 QDJZTRKPBHSRIZ-VAMGGRTRSA-N 447.624 4.616 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722611905 CPQRMECSWMMIDB-MRXNPFEDSA-N 449.958 4.807 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCN(C)c2ccccc2C1)C(C)C 1722664469 AJMIUVQQWWUCFE-RUZDIDTESA-N 448.659 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1noc2c1CCCC2 1722665527 MYAMTPFIBSCIJC-UHFFFAOYSA-N 441.482 4.640 30 10 IJEE C=CCn1c(N2CCC[C@@H]2c2ccc(C)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722690676 LZPDKTQUHQYJAD-QHAWAJNXSA-N 437.588 4.885 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)CCC(C)C)C1 1722716996 BHGQMVOPIBZYPO-REWPJTCUSA-N 432.996 4.567 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)CC(F)(F)F 1722736055 VIBDBQBIOWKCJE-UHFFFAOYSA-N 435.313 4.625 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(N2CCCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1727713276 HQPWDDAEWDHAND-IFMALSPDSA-N 434.632 4.990 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCCSC 1740557880 RMSDQDVUNKTCFL-CQSZACIVSA-N 427.401 4.765 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1CCC 1740731191 QYIGWGGUVGVRFX-UMEGOILYSA-N 441.620 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]1CSC 1740753588 LRFNPZXVESUCIT-HOJAQTOUSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]1CC 1740768055 SPMRFHSKPAVDMH-SKPFHBQLSA-N 440.588 4.616 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCC2)CC1 1740788974 AOBWUWFOQRETQO-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CC2CCN(CC(F)(F)F)CC2)CC1 1740821424 IORAWAYVLJMMTF-UHFFFAOYSA-N 437.485 4.515 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1740845847 DIOCPUMIWJMVST-HXUWFJFHSA-N 446.599 4.598 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1CCc1cccnc1 1740920074 BTCSILCNAGLITJ-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(C)(C)O 1740920227 IZYJSTQHAIZTOM-TZIWHRDSSA-N 444.595 4.689 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCCN(C(C)(C)C)CC1)C(C)C 1740927096 QSDCEACEWGIAMA-QHCPKHFHSA-N 442.696 4.555 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCN(C4CCCCC4)CC3)nnc2C(C)(C)C)cc1 1740968895 QKJMCANSGCPILF-UHFFFAOYSA-N 437.632 4.643 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)C1 1740984126 WMESZUGMNWSACN-MQSCRBSSSA-N 430.637 4.633 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740998381 NZLUFPNIBDMHHQ-LJQANCHMSA-N 443.020 4.765 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1csc(-c2ccco2)n1 1748686732 VFVYYSZNEPBCLN-GOSISDBHSA-N 447.564 4.697 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1748935358 QFIHYILTQODYED-QPPBQGQZSA-N 438.616 4.775 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H](C)c1ccco1 1749023778 WJFMQYVTSXXTLM-IAGOWNOFSA-N 428.533 4.714 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1749048529 PIRGHOIROOCREM-HSZRJFAPSA-N 444.670 4.641 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@@H](F)C1 1749060211 KXGRTRULIRTCRX-VTJXTGGHSA-N 449.343 4.977 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCC2CCOCC2)CC1 1749331827 ZEJDIFYAZAOVJG-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cc(C)on1 1749355726 OUKKSRAKRHOBRT-UHFFFAOYSA-N 431.544 4.870 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1749404075 QTHOMANZINWGBZ-HXUWFJFHSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(C)C)C(=O)C1 1749417703 MOXGOIDMCHBYSP-UHFFFAOYSA-N 436.387 4.523 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1749457078 OAIKJCSKQNTLOE-HXUWFJFHSA-N 429.634 4.986 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N(C)Cc1csc(Br)c1 1749458180 ZLJXIHWARHMYJS-UHFFFAOYSA-N 425.396 4.599 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCSCC1)C(C)C 1749552533 DYRRDZFBHUWMII-NRFANRHFSA-N 446.064 4.850 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1Cc1nc(C(F)(F)F)cs1 1749584812 RUHJWSFDXLQBBJ-UHFFFAOYSA-N 433.503 4.914 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1749606192 ORUUERYAPXYGAP-NHCUHLMSSA-N 441.595 4.836 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)Cc2cccs2)C1 1749713921 AUXXLHZOTXEROA-UGKGYDQZSA-N 436.625 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCC1CC(OC(C)(C)C)C1 1760125529 ZTZDAPKZAVZORL-YMISUZCDSA-N 438.616 4.861 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCCCC(F)(F)C2)c1 1760127365 XKVHMQVDEOFBAW-IBGZPJMESA-N 443.542 4.673 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1760134495 OWGCIFRFMJKDJK-UHFFFAOYSA-N 447.627 4.722 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1760229104 DJSANLHQTZYXMO-OAHLLOKOSA-N 430.339 4.574 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OC)CCCCC1 1760237593 NUZRHBBKWQMYKA-UHFFFAOYSA-N 438.616 4.963 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccsc1)N(C)C 1760239750 UMYODUDIIPQORZ-OAQYLSRUSA-N 439.654 4.703 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCSC(CC)(CC)C1 1760283481 OMWMYMAVTPLPLJ-UHFFFAOYSA-N 428.671 4.542 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1760352893 ABZYOKZKQLAODQ-HXUWFJFHSA-N 437.613 4.941 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cccc(C(F)(F)F)n1 1760454531 NBZYKWISVFSZAN-UHFFFAOYSA-N 438.457 4.886 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760561473 BDVOGGZCQRLMMZ-APWZRJJASA-N 449.020 4.532 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 1760568375 GYWYRTURAPVQJT-SFHVURJKSA-N 435.638 4.506 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)c3ccccc3)c2)sc2c1CCCC2 1860090518 IYBCJHKRQGMQNN-UHFFFAOYSA-N 431.517 4.768 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 1862382741 JNFIBHKLTASGAB-LJQANCHMSA-N 446.286 4.505 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(C)c1 1862412863 OYWPFJOEYASISP-QFIPXVFZSA-N 442.506 4.583 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862423312 ZKVKGDXXELOHOL-NRFANRHFSA-N 443.446 4.501 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(F)c2)cc1 1862517824 WJNPONQMPIVLIE-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(O)c(OC)c2)cc1 1862518021 AIRNJOZGQOLKMJ-QRQCRPRQSA-N 439.508 4.566 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2C(=O)O)c1 1862559519 PYAWQGOFMJLRPW-QFIPXVFZSA-N 448.519 4.658 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 1862674937 XYOORABCDBYXIP-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(C)c2)cc1 1862687505 LSPFIAKGKNORBL-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c1 1862702520 FJTVCFCXYLPOCV-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1Br 1862708543 XYSCWXBVPFCJBH-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cc(C)ccc3C)C2=O)c1 1863028200 WQVZBHVSANZDDB-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2cccs2)C1=O 1863804874 KDHMOPZYCMSCRB-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CNc1ccc(OCC)cc1 1871212951 DSLFLRYPTBOXDO-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCOc3ccccc3)C4)C2=O)cc1 1871352342 BMPVBPYXTDSZRS-OYKKKHCWSA-N 443.499 4.851 30 10 IJEE Cc1cc(OC(=O)C2CCC2)cc2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 1871362419 BFVNJWBFVIGYMM-UWVJOHFNSA-N 426.852 4.837 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871392510 AHQHWBYQSKOLIL-STZFKDTASA-N 443.927 4.827 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)NC4CCCCC4)cc(C)c3C2=O)cc1 1871438062 MCADSQNBZDCZIF-UCQKPKSFSA-N 435.520 4.838 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc(NC(=O)C2CC2)cc1 1871445845 QBHVZEYZHBZHFM-QRVIBDJDSA-N 429.428 4.506 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872091951 DXIIVWILLRZNQR-QFIPXVFZSA-N 428.598 4.850 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1 1872783820 IQFDJIIBDMVWBA-AWEZNQCLSA-N 443.868 4.879 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2cc(F)cc(F)c2)C1=O 1873106798 ACFNCCZFARBDLG-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE COc1cccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCCCC3)C2=O)c1 1873218387 KKBTXDZNSIRPJE-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(-c3ccccc3C)cc2)cc2c(NCCCO)ncnc21 1873625736 USVOKJWWOGOPHR-UHFFFAOYSA-N 441.535 4.639 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccc(Cl)cc3)c(=O)oc2c1C 1873902713 XGHVYPZPCOYCAE-UHFFFAOYSA-N 425.912 4.877 30 10 IJEE CCCOc1ccccc1/C=N/n1c(Cc2ccc(OC)c(OC)c2)nnc1SCC 1874237839 ISDXZLFSWRRHSH-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE CCOc1ccc(/C=N/n2c(CCCOc3cccc(C)c3)nnc2SC)cc1OC 1874245648 OYEMUXDERBCGQC-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE Cn1cccc1/C=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1F 1874315590 AIBQYGJGKTZTRZ-YZSQISJMSA-N 449.555 4.942 30 10 IJEE Cc1ccsc1/C=N/n1c(CCc2cccs2)nnc1SCC(=O)OCC(C)C 1874374506 ZTQWOVBSMBEGNK-SRZZPIQSSA-N 448.639 4.668 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccn1C 1874427866 FTOLSPIWGHIODP-MFKUBSTISA-N 444.564 4.513 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccco2)c1 1874437477 CYASEYNDHSHONE-YDZHTSKRSA-N 425.558 4.690 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1 1874576116 XJSBAYARAVPYLY-UXBLZVDNSA-N 425.868 4.533 30 10 IJEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 1891400511 VKICCNZHCCSFSV-UHFFFAOYSA-N 434.517 4.583 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)NCC 1984704838 XNCQULVBVKUXPQ-MOPGFXCFSA-N 430.511 4.831 30 10 IJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2014167702 BJZPWIHRVAJYJS-DHIUTWEWSA-N 445.724 4.651 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 2033812905 AXMWYEDPNLZAGS-CYBMUJFWSA-N 438.317 4.689 30 10 IJEE Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NN1CCN(Cc2ccccc2)CC1 2069613475 JCSRCCVABRXZMK-UHFFFAOYSA-N 428.367 4.639 30 10 IJEE Cc1nn([C@H](c2ccc(C3CC3)cc2)C2(C)CC2)c(I)c1/C=N/O 2078995243 UCMHXIZHJPELFG-LASGFXPTSA-N 435.309 4.871 30 10 IJEE C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)CCN1c1cc(Br)c(C#N)cc1F 2118156609 MSIVGOUNURRABF-QWHCGFSZSA-N 426.330 4.684 30 10 IJEE CCN(C(=O)OC(C)(C)C)C1CCN(c2cc(Br)cc(F)c2C#N)CC1 2118198399 GJJNOHAZTOOHPM-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE C=CC[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2121945024 QWLIHHOBIDVGRT-GFCCVEGCSA-N 434.115 4.625 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(Br)cc(OC)c2)C1 2136329702 NLWPPSLCSQBQHK-QGZVFWFLSA-N 425.367 4.579 30 10 IJEE CCCN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CCN(Cc2ccccc2)CC1 2143600608 WLEJZTADZBRYJP-UHFFFAOYSA-N 448.460 4.862 30 10 IJEE N#Cc1ccc(Br)cc1N[C@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156285352 RMOAKPNCTRWRNB-IFMALSPDSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1Nc1ccc(C#N)c(Br)c1 2162301377 LRLUNPUDTBAPGJ-OALUTQOASA-N 428.330 4.923 30 10 IJEE CC1(C)OB(c2cnc(N3CCC[C@H]3c3ccsc3)c(Br)c2)OC1(C)C 2172777001 WTNRJPMJUKIUKV-INIZCTEOSA-N 435.196 4.546 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 2174566411 VZKNYCLWOSGNPP-UHFFFAOYSA-N 436.394 4.979 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1(C)C 2186211864 JIVMBFRVDLHFAK-BBRMVZONSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(COc3cc(Br)cnc3C#N)CCC[C@H]12 2198820614 SEUYODAJOWSYLB-FXAWDEMLSA-N 436.350 4.664 30 10 IJEE C=C([C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229112763 CVRQGKATRKLDPM-ROUUACIJSA-N 441.486 4.907 30 10 IJEE CCCC1([C@@H](C#Cc2ccccc2Br)NC)CC(NC(=O)OC(C)(C)C)C1 2235744945 ALYZXUKCPSTQKX-IMYXXEESSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2ccnc(Oc3ccc(Br)cc3Cl)c2F)OC1(C)C 2265996719 BBMOFVABEXCCDG-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@H](O)C#Cc2ccc(Br)cc2)C1 2296271448 DOUXBOPNYVOSTR-KPLVRAHFSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2296274187 SLFWAYMQQNAFPJ-OXJNMPFZSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296278950 JWMICAPUYOOPTD-MDNKFWRPSA-N 433.390 4.696 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2296311553 YIEYVTKIIJMBAG-FFZOFVMBSA-N 435.406 4.814 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2[C@H]2CCCO2)c1OCc1ccccc1Cl 2321935054 ZUKXUMFOLAJKCE-GOSISDBHSA-N 444.944 4.542 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(OC)c4)cc(C)c3C2=O)cc1 2322724583 HEZONVZNADMAHL-UHFFFAOYSA-N 444.439 4.626 30 10 IJEE Cc1cccc(C=C2Oc3c(CN(CCO)Cc4ccccc4)c(O)cc(C)c3C2=O)c1 2324010083 AUAGBGCEXYJOQI-UHFFFAOYSA-N 429.516 4.620 30 10 IJEE CCCC[C@H](Oc1cc(C)c2c(c1)OC(=Cc1ccc(OC)cc1OC)C2=O)C(=O)O 2324781186 NYYFMNBEPFDQAD-SFHVURJKSA-N 426.465 4.651 30 10 IJEE CCc1ccc(C=C2Oc3c(ccc(OCC(=O)NCc4ccccc4)c3C)C2=O)cc1 2324965371 KPVVWMUXWUGWNL-UHFFFAOYSA-N 427.500 4.869 30 10 IJEE O=C(C=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(I)cc1 2325589613 SMXLXLXLVUQWRX-UHFFFAOYSA-N 446.071 4.819 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1cccc(O)c1 2325894291 WWCHGQSAZVHFKV-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE CCCc1ccc(OCc2nnc(SCCO)n2N=Cc2cccc3ccccc23)cc1 2327408312 OTDFRFVPZJJABD-UHFFFAOYSA-N 446.576 4.929 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1cccc(O)c1 2328280339 YXEMKZHDJPXDKI-UHFFFAOYSA-N 446.532 4.746 30 10 IJEE CCSc1nnc(Cc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1O 2329966724 DOLYPFYUWMRGJD-UHFFFAOYSA-N 431.359 4.640 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330100472 ZMJRMRZCFRQDQM-UHFFFAOYSA-N 432.605 4.869 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cccnc1 2330798714 KTBNYUGQCMJYJO-UHFFFAOYSA-N 429.472 4.943 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc2c(c1)OCCO2 2330812547 AYMZRKHHPMPSCL-UHFFFAOYSA-N 440.544 4.952 30 10 IJEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(C)C)cc(OC)c1O 2331700460 PQAHJTGCMAUYOV-UHFFFAOYSA-N 440.569 4.916 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339598845 ISOUOLNGORXCND-PKMDAXGDSA-N 444.381 4.798 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NC)c2cc(C)cc(Br)c2OC)C1 2339704242 YOTUNXLENCWLPG-QGZVFWFLSA-N 425.367 4.640 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2cc(F)c(Br)c(F)c2)n1 2362179964 LLWOLCKKHWLKFF-UHFFFAOYSA-N 426.066 4.522 30 10 IJEE COc1cc(OC)cc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 17724738 DSGVPNDPCXMTBI-RBZQAINGSA-N 441.531 4.720 30 10 IJEE biogenic C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1 33651449 HMSQHXVTHSSMFI-UHFFFAOYSA-N 441.578 4.528 30 10 IJEE CCN/C(=N\c1cccc(C(F)(F)F)c1)S[C@H]1CC(=O)N(c2ccccc2F)C1=O 59490328 VIERPSMJJARVTO-INIZCTEOSA-N 439.434 4.507 30 10 IJEE CCCCCCCCCCCCCCCCNCCn1cnc2c1c(=O)n(C)c(=O)n2C 95871063 RGKLYNQJTINBKG-UHFFFAOYSA-N 447.668 4.505 30 10 IJEE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)N(CCC#N)CCc1ccccc1 100438050 PBWXGCLOYAKSKB-GOSISDBHSA-N 429.358 4.818 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)cc1 170005642 SGWYMIXDVSESJZ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)c1 170082934 CSLDPPJDEXZMEF-HSZRJFAPSA-N 447.462 4.709 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2ccco2)c1 170144037 ODTWBXVTUMVOQK-QHCPKHFHSA-N 429.472 4.692 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3cccs3)ccc2O1 170155931 AWULCPQSQUVGCN-LRTDBIEQSA-N 435.476 4.994 30 10 IJEE NC1=C(c2nc3cc(N4CCCCC4)ccc3[nH]2)C(=O)CN1c1ccc(Cl)c(Cl)c1 170178590 ACDYGXWPAQGSKD-UHFFFAOYSA-N 442.350 4.577 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccnc1 170191205 HJIZMAYQZYIFJX-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1C 170193002 AOVOLCFLUJKLDJ-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccncc2)cc1C 170204915 PWYDMJZZFBYUMD-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1 170242380 VXTPJFBLIXYWHL-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(F)cc1 170242661 ACZOHFIFWDNGCY-FQEVSTJZSA-N 443.858 4.840 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccco1 170279575 NGHGOZQQUAKIIE-SFHVURJKSA-N 429.881 4.782 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170363519 WEAAQCXVTZZOQB-XMMPIXPASA-N 442.515 4.934 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 170442552 GRKJMSFSJOLTSR-QFIPXVFZSA-N 437.536 4.531 30 10 IJEE Cc1cccc(C=Nn2c(N)c(C(=O)Nc3cccc(C)c3)c3nc4ccccc4nc32)c1 254743871 MXDZIDFMFMMVCG-UHFFFAOYSA-N 434.503 4.918 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C 404373158 JHYBPVLXVXZIAP-VABKMULXSA-N 448.460 4.778 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)CC1 443347462 RKILLHDUHRLZSP-UHFFFAOYSA-N 427.957 4.876 30 10 IJEE CC1(C#N)CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 507828184 HUKWRACJHLJNHG-UHFFFAOYSA-N 445.470 4.780 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)cc2)c(OC)c1 526606819 JLUIRUUWOSHUSS-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE N#Cc1ccc(N2C(=O)C(Sc3ccccc3)=C(N3CCCc4ccccc43)C2=O)cc1 526680601 NBAXSBCDILYDQB-UHFFFAOYSA-N 437.524 4.888 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc1OC 526825330 SNSJJAVDOWCCCC-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCN(C(=O)c1cc(O)nc2ccc(Br)cc12)c1ccc(C#N)c(Cl)c1 539174935 GTODIXNOEDMGHB-UHFFFAOYSA-N 430.689 4.895 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 549675292 GHNHNOIYBPIJFC-HNNXBMFYSA-N 446.395 4.852 30 10 IJEE C=C(C)CN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cc(C)ccc1OC 586136605 BVRFXPNMNZVZJT-UHFFFAOYSA-N 447.597 4.611 30 10 IJEE C=CCN(c1ccc2c(c1)N(C)C(=O)CO2)S(=O)(=O)c1ccc(CCCCCC)cc1 586235562 CPZOUPIRIGWRRD-UHFFFAOYSA-N 442.581 4.546 30 10 IJEE C=CCOc1c(Br)cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 643901773 NUKKYFVCQLQBGR-FQEVSTJZSA-N 429.314 4.751 30 10 IJEE C=CC[C@@H](NC(=O)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1)c1ccncc1 785559362 HFOOEQKJFXEMOH-FYYLOGMGSA-N 433.577 4.906 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Sc3ccccc3)cc2C)n1 788575726 CXLRXMVSZRGYBX-UHFFFAOYSA-N 434.565 4.656 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 790837963 JZGUUNSQEWWLJD-RUZDIDTESA-N 446.563 4.679 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2CC[C@@H](C)F)c1 814708661 QONWWLSIVCNWOE-FOIQADDNSA-N 441.503 4.515 30 10 IJEE C#CCCOc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1 1125065793 CRQFRPCATVDYFP-XMMPIXPASA-N 430.573 4.680 30 10 IJEE CN(CCC#N)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1136427058 ADUWLBYNZFXDMN-RUZDIDTESA-N 439.515 4.638 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](CCC)C1 1137818885 ASTNIFZCILLHGB-PKTZIBPZSA-N 443.632 4.749 30 10 IJEE C=CC1(CC(=O)N2C[C@@H](C(C)C)Cc3cc(OC)ccc32)CN(C(=O)OC(C)(C)C)C1 1162436162 ZUMGBRCSEQZYMN-IBGZPJMESA-N 428.573 4.670 30 10 IJEE C#C[C@H]1CCCN(C(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)C1 1163599883 YCHZOIIYRKAYGC-SFHVURJKSA-N 448.950 4.715 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3cccc(OCc4cccs4)c3)CC2)c1 1164154915 FDORDFKMINHKKD-UHFFFAOYSA-N 431.561 4.593 30 10 IJEE CC1(C#N)CN(CC(=O)Nc2cc(-c3ccc(C(C)(C)C)cc3)nn2-c2ccccc2)C1 1169872138 HOMIVRKAPGRGNJ-UHFFFAOYSA-N 427.552 4.621 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1cc(C(=O)OC)ccc1Cl 1188282834 MJKUCGIMFXOEPT-UHFFFAOYSA-N 447.919 4.915 30 10 IJEE CCN(C[C@H]1CCN(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)C1)CC(F)(F)F 1220258694 GJYSPWYMTGIVAL-DYVFJYSZSA-N 443.407 4.519 30 10 IJEE CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1233981444 GOEMEAOJAGUZMZ-MUEKUWCCSA-N 432.568 4.717 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1252459821 YFGLSDHGBFZUBQ-KRWDZBQOSA-N 425.248 4.984 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(C)c1-c1ccccc1 1264905907 QXKGGMNQYGPXRE-UHFFFAOYSA-N 428.305 4.817 30 10 IJEE C=CC[C@@H]1N(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CCCC1(C)C 1270801412 KLDGCOPITDRMPB-RTWAWAEBSA-N 425.573 4.556 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cl)c(Br)c1)c1ccc(Br)cc1 1275475007 UGEXTMAWVTWNQB-HNNXBMFYSA-N 427.523 4.969 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2)c1ccc(Cl)cc1F 1275497367 ABPAEBGJACBOEG-IBGZPJMESA-N 425.866 4.705 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1275698951 LTZQBRFMYFBPBP-VWNXMTODSA-N 447.579 4.907 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)C1 1277137730 ODPQDTPFPXUJKF-OAQYLSRUSA-N 438.593 4.558 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@@H](OCC)C1CCCC1 1286281457 GWYORQZIMKAAED-NTKDMRAZSA-N 431.584 4.937 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1csc(CC)n1 1286305653 OWCHONSXJPSLRE-CQSZACIVSA-N 432.018 4.749 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C)=C(Br)C1 1286341271 CQBDFKONTZEKFN-MRXNPFEDSA-N 447.352 4.850 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1OCC[C@H]1C 1286527928 UARJTSKHRJICMK-KCVHQNEMSA-N 436.600 4.572 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@@H](O)C1 1286569489 RPXFDLSDWLLDBG-IEBWSBKVSA-N 447.421 4.970 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)c1ccsc1 1286582747 FJCXRQXRCOLCDG-HSZRJFAPSA-N 426.586 4.537 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286588082 KHKPVMKCFGEOFO-INIZCTEOSA-N 449.368 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(C)CCCO2)CC1 1286655305 NABXALWUJLVVST-OAQYLSRUSA-N 431.378 4.679 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1286705582 ANVDCVFXCWEYEL-OXQOHEQNSA-N 436.959 4.755 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1286712414 YKIZNBQQHWUEEC-UPVQGACJSA-N 437.632 4.518 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCN1CC 1286719681 QKGZPFGOEUVIAP-LJQANCHMSA-N 425.577 4.919 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCc1nccs1)C1CC1 1286733436 BLYAPIUHBSYSEF-UHFFFAOYSA-N 448.365 4.701 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286742990 XLECATIMUBMSPH-SZPZYZBQSA-N 446.643 4.978 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)NCCC 1286753448 COCCWQHABYVNGF-UHFFFAOYSA-N 429.977 4.518 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(C)(F)F)cc2)C1 1286812654 RMWQOIJKQSWSHC-OAQYLSRUSA-N 430.543 4.952 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1cccs1 1286832294 RKRJMBYBSZKODR-VQIMIIECSA-N 442.610 4.969 30 10 IJEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1(CC(C)C)CC1 1293100096 GQHBPACUZBBGEI-UHFFFAOYSA-N 426.996 4.518 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1300391708 DLABDBRLOFEQLH-GOSISDBHSA-N 441.004 4.864 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1300416154 ALJNDRWHFZBSFM-LADGPHEKSA-N 434.609 4.948 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1C1CCC1 1300776817 NMPXCAGBLABUDW-IBGZPJMESA-N 442.654 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1c(C)nn(-c2ccccc2)c1C 1300919021 QFUGZGJHSUFKJH-UHFFFAOYSA-N 441.583 4.517 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](CN(CC)CC)C1 1300936786 KVWPBERTVOKOCX-RTBURBONSA-N 427.662 4.876 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN(C)C(C)C)CC1 1301108879 BIXYXSLKODBFQI-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=C)Br)CC1 1301113612 ADPXHZCOOFBKNV-UHFFFAOYSA-N 437.769 4.918 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCc2nc(C)c(C)s2)CC1 1301134478 KKWGXJUWJKHUAV-UHFFFAOYSA-N 441.576 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1301139050 KUAVOUDADXPKDL-FCHUYYIVSA-N 440.588 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301208001 KURUTYHMQKKGPQ-UNVFRBQDSA-N 438.616 4.982 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1301231704 MRSPXTWURJOHRQ-HXUWFJFHSA-N 448.596 4.844 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1CCc1nc(C)c(C)s1 1301354950 LUZPJRSOHGCLIZ-UHFFFAOYSA-N 425.577 4.878 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301529149 HOJSNPIXSYPQFM-GHTZIAJQSA-N 434.588 4.652 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCC1 1310113267 HRMMYHQLTXUCEK-UHFFFAOYSA-N 441.535 4.922 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(F)cc1 1310876946 GZZZNBFTWPDHLP-INIZCTEOSA-N 434.418 4.783 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)c1 1312011180 DJGHKIXDPUWDPV-XZOQPEGZSA-N 428.536 4.588 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 1313126339 RPJOYPKNGQSHHA-QFIPXVFZSA-N 440.588 4.573 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CCCN1C(=O)OC(C)(C)C 1350240892 OEGWPNZKZZAJGA-SANMLTNESA-N 444.535 4.961 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(Br)cc3F)cn2)cc1 1350585384 GFQBZONUOIBXGZ-UHFFFAOYSA-N 426.245 4.828 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CC12CCOCC2 1358881548 IEHZHEIRRZKQIR-IFMALSPDSA-N 436.600 4.645 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)O[C@H](C)C1 1358907741 YXGRQBQOQMTDLD-WOJBJXKFSA-N 434.540 4.534 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCCO1 1358908317 SNRITRWTAVGFCP-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](c2ccnn2C)C1 1358924162 NZZDMLLFTAJLOB-INIZCTEOSA-N 443.382 4.783 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OCC)CCCC1 1358971674 FBGDNCGPXNUVPW-LJQANCHMSA-N 436.625 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1ccnc(Oc2ccccc2F)c1 1358993950 AIYMWDQDCFBRQD-UHFFFAOYSA-N 445.542 4.704 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](c1ccco1)N1CCCC1 1359000887 GUKYJNOJPVTAIX-GOTSBHOMSA-N 431.584 4.710 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CC)CCC1 1359020187 UPLWTMPHCHGPJN-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCSC(C)C 1359063827 FGZLNLLAAKTZDU-NTKDMRAZSA-N 442.629 4.951 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1359100655 DYNSCVGLFRTQOT-XUZZJYLKSA-N 426.580 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(CC)C1 1359104001 WKFIDDBLICXXOB-JKFKMHIGSA-N 428.552 4.604 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1359146141 OICOSVCVETXRCP-QZTJIDSGSA-N 449.430 4.837 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1359153553 KFFBTMNZMKIRGA-VBKZILBWSA-N 444.004 4.982 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CCc2nc(C(F)(F)F)cs2)CC1 1359167819 VZKNPHLGUJMFRV-UHFFFAOYSA-N 447.530 4.938 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOCC2(CC2)C1 1359183366 JMKGPUMEWBWIQK-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](CCOC)C1 1359198571 URGTWHYTZFBIGA-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCSC(CC)(CC)C1 1359224471 SHFMCQHXNMJVDJ-UHFFFAOYSA-N 436.025 4.698 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@H](c1cccs1)N1CCCC1 1359259967 OFKWWTDFDZBRTC-OAQYLSRUSA-N 425.577 4.817 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C)C1)C(C)C 1359264628 KIFKIHWOJOODGT-IFMALSPDSA-N 449.599 4.615 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1coc(-c2cccs2)n1 1359268764 CIEFYCAMANHWBQ-UHFFFAOYSA-N 428.521 4.760 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc(Cl)nc2C1 1359284764 LHKHVMTVKJILFQ-UHFFFAOYSA-N 436.766 4.566 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCCC2(CCCC2)C1 1359346678 RMXRQSVIBSCCLH-UHFFFAOYSA-N 442.629 4.946 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ncc(-c2ccc(F)cc2)s1 1435893722 DGLLGALKRLNZQE-UHFFFAOYSA-N 432.274 4.601 30 10 IJEE COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1 1436204049 FMOKCTLIYZSADC-MGPUTAFESA-N 443.341 4.708 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCSC[C@@H]2c2ccccc2OC)cc1OC 1439094078 MHWRVZAWFIJWTE-JNSUZQQQSA-N 439.577 4.989 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(COc2ccccc2)cc1 1441424554 DJRCFRLKJGCTLZ-UHFFFAOYSA-N 439.515 4.946 30 10 IJEE C=CCC[C@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(=O)OCC 1449688856 AHOCPJCBSMSYEF-INIZCTEOSA-N 434.945 4.590 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O 1458794180 FQIHOFLKANJXGZ-CSUZIONRSA-N 445.588 4.944 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1CCN(c2ccc(C)cc2)C1=O 1458998915 IUGZLQIFOIWYTN-OAQYLSRUSA-N 434.565 4.558 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc2[nH]ccc12 1459705350 ARMAHWDTPPGOLZ-QFIPXVFZSA-N 429.495 4.934 30 10 IJEE O=C(Cn1nc(C(F)F)cc1C(F)F)O[C@H](c1nc2ccccc2o1)C(F)(F)F 1459725190 HGVFQNZBHOEQHZ-GFCCVEGCSA-N 425.260 4.746 30 10 IJEE C#Cc1ccc(NC(=O)[C@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)c(Cl)c1 1463164729 AOKFVTCJNKPIPP-HXUWFJFHSA-N 426.900 4.631 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 1465333426 GDEHFLZGGSWDOQ-UKILVPOCSA-N 433.552 4.737 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CC)Cc3cc(Br)ccc3O)cc2n1 1467352927 GYGAILBOIOAEJO-UHFFFAOYSA-N 429.318 4.744 30 10 IJEE COc1ccccc1[C@@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 1468723093 AIKORFXZWSWCHR-SANMLTNESA-N 440.547 4.624 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1 1472406905 HMMGSEWFIWCCQB-MOPGFXCFSA-N 432.609 4.594 30 10 IJEE CC[C@H]1COC(C)(C)CN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1473615485 CKBYZQTXWYOMEN-IRXDYDNUSA-N 431.646 4.989 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)c1cc(C#N)ccc1Cl 1474943682 DFWYVYUXAXBKBP-GFCCVEGCSA-N 435.933 4.822 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)c1ccc(Br)cc1 1475874012 SUJGLHSQEPZPBI-RDTXWAMCSA-N 447.402 4.634 30 10 IJEE C=CCCCN(CC)C(=O)Nc1ccc(I)cc1Br 1476236679 XBEAGYWGKOYMJI-UHFFFAOYSA-N 437.119 4.874 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 1477931263 PXMKSPYNUUBAFZ-LJQANCHMSA-N 444.373 4.747 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(C#N)C1)OC 1494973741 DDJKSIOXBVCPPU-GRWTVWFQSA-N 445.995 4.798 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCCS1 1498080410 AIBRWARGPKMCFD-RDPSFJRHSA-N 439.629 4.835 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC[C@H]2C)cc1OC 1502801228 AXAOCPAZGTUVME-WIYYLYMNSA-N 437.588 4.919 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1503151367 GDARHKSFCJNOLO-UXHICEINSA-N 443.542 4.895 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](c1cccnc1)C(C)C 1507606920 BRWYKLDCGQJQNW-HXUWFJFHSA-N 438.373 4.612 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1 1507690585 QEHMBPCZNTWSPW-QFIPXVFZSA-N 449.599 4.566 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC[C@H](C)N1CCCCC1 1507702085 SAHMFWSISHZAGF-NRFANRHFSA-N 425.596 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CCC 1507794454 FNDPHSBBMSHNFU-MPGHIAIKSA-N 436.398 4.642 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCC1 1507805809 LIOOCXKEYAUJPG-AUSIDOKSSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCO[C@H]1C(C)C 1507815000 JTFRANUPPJEATH-OFNKIYASSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1cnn(C)c1C 1507832860 VJULYZHXIWSZTM-UHFFFAOYSA-N 442.995 4.506 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCc2cccc(C)n2)CC1 1507891805 HIVXQQFBDYXNPY-UHFFFAOYSA-N 435.597 4.682 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2CCOc2ncccc2Cl)CC1 1507901292 HWBHXGQPQRVIOE-UHFFFAOYSA-N 437.975 4.707 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C/C=C\CC)CC1 1507903119 JHRDQADTEYEKOX-GWQNQTGSSA-N 429.609 4.761 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1507936594 DGTSXSDVLKTDPE-QGZVFWFLSA-N 449.020 4.970 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1507946120 KDVKWETVFSYLOD-UHFFFAOYSA-N 443.382 4.940 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1508025103 OUMQKCDBJPBHKY-DVKRWUGUSA-N 438.616 4.611 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCc1ccsc1 1508028011 QHHMUBGYHQEAKY-UHFFFAOYSA-N 429.549 4.949 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 1508164815 MMGTZGJERUSQHS-UHFFFAOYSA-N 439.412 4.718 30 10 IJEE CCc1c(C)sc(NC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1C#N 1520399405 HORUNGGAZMIWRK-SFHVURJKSA-N 431.480 4.619 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1521381276 PWMNDNRDDIREFI-RUZDIDTESA-N 428.573 4.711 30 10 IJEE C#CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1521819581 RGDRNEDSBRNBJE-GOSISDBHSA-N 443.297 4.573 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1ccc(OCC(F)(F)F)nc1 1523593150 PKFAOOYQRILASV-UHFFFAOYSA-N 448.363 4.579 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4cccc(OC)c4)cc3)cc2C1=O 1526252818 OCQVGYRSVIJQMO-UHFFFAOYSA-N 428.444 4.522 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1527931548 HBUADMYSOVVVFD-IIBYNOLFSA-N 435.326 4.867 30 10 IJEE COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 1534145986 CDXDHFDLIJYHPR-UHFFFAOYSA-N 448.906 4.606 30 10 IJEE C=CCOc1cccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)c1 1534959975 NVDHKIVGMIWHHE-VWLOTQADSA-N 438.524 4.565 30 10 IJEE CCC(CC)Oc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 1536811789 FNOXTEBOAVNXOW-UHFFFAOYSA-N 428.536 4.636 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@](C)(OC)CC1 1539058661 HSVGOVFGVOXGAU-RUZDIDTESA-N 440.588 4.551 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOC(F)F 1539245910 FYZZORKUAYBAPP-UHFFFAOYSA-N 444.482 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccncc1Cl 1539350698 VSBVGZGUYNKFGJ-OAHLLOKOSA-N 425.989 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCCCO 1539541175 BKZPQWNBZDZYGP-RUZDIDTESA-N 449.624 4.922 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1Cc2ccoc2CC(C)(C)C1 1539586312 IOFJODOZUAASNH-UHFFFAOYSA-N 431.334 4.937 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1539758308 JZWUFAGKLIKNLZ-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C)s1 1539760227 YSQKXHPOMKYVEO-WOJBJXKFSA-N 432.634 4.796 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1539839964 IECHERIVRPSHGF-NRFANRHFSA-N 436.991 4.761 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2c(Cl)cccc2C1 1539902326 DYROQOUGIHBMEE-KRWDZBQOSA-N 432.996 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1539924551 SZTAPBKQUUBZRP-LJQANCHMSA-N 438.597 4.809 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCCC2)C1 1539952525 FLWIJESWWWNEAM-UHFFFAOYSA-N 448.409 4.932 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1539966174 FZKDVTVZEQTFDX-CTNGQTDRSA-N 430.980 4.760 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(C#N)c1 1539982279 SPXVPXLFIQHELM-UHFFFAOYSA-N 439.361 4.520 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CCOC2(CCCCC2)C1 1540020228 IDSSLYODIBIGNO-HSZRJFAPSA-N 438.616 4.952 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1540058221 BFLZGBATXYPVDJ-ZOBUZTSGSA-N 431.378 4.775 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCO[C@@H]1C(C)C 1540133838 OTZRYSDTQWQOIU-ILBGXUMGSA-N 431.584 4.518 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCc1nccnc1C 1540139596 BJTYWQQMMGMCFF-UHFFFAOYSA-N 434.544 4.679 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCc2ccccc2CC1)C(C)C 1540152128 PZMOZGUWXZCWBA-VWLOTQADSA-N 433.644 4.849 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)C1CC1 1540158391 FZXZBJPSLDVBJR-LJQANCHMSA-N 431.378 4.619 30 10 IJEE CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1540472236 HZPPUIWBUYDXJM-GCJKJVERSA-N 447.476 4.822 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(c2ccccn2)CCC1 1541106688 ALKXZPUAGFBOKU-MRXNPFEDSA-N 438.938 4.850 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc2nc(O)[nH]c12 1543399746 GCHJJRFNLMXQLE-JTQLQIEISA-N 431.315 4.678 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1cc(OC)c(F)cc1[N+](=O)[O-] 1559517979 GBVADTCOEJRQQU-UHFFFAOYSA-N 427.245 4.832 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)n(Cc2ccco2)c1C 1559658261 DQFCEDQFKSUJKC-YJBOKZPZSA-N 434.515 4.703 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)c2ccc3nc(O)[nH]c3c2)cc1OCC 1560330780 ZIJZQZFHCWOMIF-CYBMUJFWSA-N 446.345 4.845 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cc(Br)ccc1C 1563902336 OFDMQKFYVHZPMK-UHFFFAOYSA-N 444.373 4.874 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1 1564913876 XLXNTEYOBUENEM-OAQYLSRUSA-N 438.568 4.789 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)[C@H]1CCCO1 1567815026 YUFWMGBTDSTCAU-RBUKOAKNSA-N 432.307 4.548 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(OC)cc2Br)cc1OC 1583473958 VQXUFLRJXIJALA-OCOPJHETSA-N 446.341 4.922 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1584239713 VEYUPKFFFKDYKJ-OFVILXPXSA-N 426.557 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[C@@H](OCC)C1CCCC1 1587658017 ZPZXFOLWIGJNCM-NTKDMRAZSA-N 433.600 4.794 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC(C)(C)C(F)(F)F)c1 1587693446 SOTNNAZCJTWACZ-UHFFFAOYSA-N 449.521 4.511 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CCC 1589008562 WYBRSIPNLGZHPJ-ZDUSSCGKSA-N 427.437 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCSCC(C)C 1589223380 IXTKMUQGFOUYSQ-XMMPIXPASA-N 426.630 4.649 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H](C)C#N 1589316573 DIGNWYGYOGHPAC-QWHCGFSZSA-N 434.407 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](CC)O[C@H](C)C1 1589504388 ICLFOTMSNVOSCA-RDBAUFEQSA-N 448.970 4.723 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)CC 1589505422 MFBNJVFTSQODIU-DENIHFKCSA-N 428.577 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1594229293 KRBVYPMVYIMVOA-BGYRXZFFSA-N 436.648 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1594510807 AKRHCZHKUUHRHB-NQIIRXRSSA-N 437.613 4.894 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1594591228 OSCONSHJMBEINB-NRFANRHFSA-N 437.975 4.798 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1595065756 XLWAWVDOQXJQFO-DENIHFKCSA-N 438.616 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1595149285 MNJUFVLQIDIZIZ-IBGZPJMESA-N 444.988 4.658 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[S@](=O)C(C)(C)C 1595190636 DWTHVDTUZOTVOA-PMERELPUSA-N 428.646 4.968 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1595297870 ZIMBSKBUKISTDI-BZSNNMDCSA-N 430.515 4.527 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1595411453 QJFSXJRLBDXAFS-MRXNPFEDSA-N 429.540 4.790 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCC(F)(F)C2)C1 1595743475 BJSBJSJPJWGSBU-FPOVZHCZSA-N 446.542 4.691 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)CCOCC1 1610957882 ZZAJLYAPEHZTAE-UHFFFAOYSA-N 439.215 4.621 30 10 IJEE C=CCN(Cc1nc(Cc2cccc(F)c2)no1)Cc1cc(Br)ccc1F 1615387249 AVIOMTRRXWWFND-UHFFFAOYSA-N 434.284 4.889 30 10 IJEE CC(C)(C)CC[C@H](CN1CCN(c2ccc(F)cc2C#N)CC1)NC(=O)OC(C)(C)C 1621483602 ICERUJJQABSQBT-HXUWFJFHSA-N 432.584 4.539 30 10 IJEE CC(C)(C)c1csc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1C#N 1625087554 GHDWSYVWZILRSA-UHFFFAOYSA-N 442.560 4.617 30 10 IJEE C#CC[C@@]1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCCN1C(=O)OC(C)(C)C 1626322105 GKCLYRJSCRMWFV-MHZLTWQESA-N 430.548 4.989 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2oc(-c3ccccc3)cc2C1 1628656641 MIZLNXLNSVHBRH-GOSISDBHSA-N 430.932 4.867 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 1629782471 DYZXQTDUGNMZIM-FUHWJXTLSA-N 436.512 4.768 30 10 IJEE C=C[C@](C)(O)CC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1629814917 LKYZDUQIQBUVDD-ICSRJNTNSA-N 440.740 4.969 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CCCN1C(=O)OC(C)(C)C 1631582739 FPRLDIBJBKKCTD-QHCPKHFHSA-N 431.964 4.826 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CC)Oc1ccccc1Cl 1635137288 GPSCGXXOWVTHCC-GOEBONIOSA-N 431.360 4.650 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 1637691956 QALWPNIKFGRUCF-ZWKOTPCHSA-N 439.474 4.710 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](C(C)C)Cc2cc(OC)ccc21 1639531810 GSUQAUSGOVTMSD-FQEVSTJZSA-N 431.536 4.921 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)Cc2ccccc2C)nnc1-c1cccc(Cl)c1 1651889427 KEALQAWKEVDCTM-QGZVFWFLSA-N 441.000 4.932 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1)c1ccc(Cl)cc1 1655554446 LBYRDENPOWTHEH-JOCHJYFZSA-N 427.909 4.794 30 10 IJEE C=CCn1c(SCc2nc3ccc(Br)cc3[nH]2)nc2ccccc2c1=O 1656040712 ZSYKKCGGJGOEAA-UHFFFAOYSA-N 427.327 4.514 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(Cc3ccc(F)cc3)CC2)n(-c2ccccc2)c1C 1657135042 IFUMOBQQXGGKLH-UHFFFAOYSA-N 444.554 4.998 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1OC 1657627840 IPZPNZIXMCQRFG-RBUKOAKNSA-N 436.980 4.839 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 1657853093 NHKMIZSTKLUNKV-UNMCSNQZSA-N 430.342 4.756 30 10 IJEE C#C[C@H](NC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2)c1ccc(Br)cc1 1658847007 LCWNFSYKVFLQMM-GUYCJALGSA-N 429.314 4.667 30 10 IJEE C=CCN(Cc1nc(Cl)ccc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1659459302 WRAWCPIXNSYNGF-SFHVURJKSA-N 437.765 4.660 30 10 IJEE C#C[C@H](NC(=O)Nc1ccnn1Cc1ccccc1Br)c1ccc(Cl)cc1 1661022648 IOUDDFTUBZYDNX-SFHVURJKSA-N 443.732 4.843 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 1662472440 VCZQYDNOOTYGFA-DEOSSOPVSA-N 434.561 4.778 30 10 IJEE Cc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c(C#N)cc1N(C)C 1670675256 DORXLIZOOYTAMZ-KBXCAEBGSA-N 431.309 4.512 30 10 IJEE O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCN(c2ccccc2F)CC1 1670938509 DPHUKEKVKLWYCC-KRWDZBQOSA-N 449.370 4.980 30 10 IJEE C#CCN(C(=O)Nc1ccc(C)cc1OCCC)C1CCN(C(=O)OC(C)(C)C)CC1 1673525901 RYBYFCNXZGTBJA-UHFFFAOYSA-N 429.561 4.650 30 10 IJEE C#CCN(C(=O)Nc1cncc(C(F)F)c1)[C@@H]1CCOc2ccc(Br)cc21 1674362393 WAZUJJYCHAAHSX-MRXNPFEDSA-N 436.256 4.773 30 10 IJEE C#CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)C1 1675097302 PWJFQPHGUZLLBU-KNQAVFIVSA-N 445.563 4.762 30 10 IJEE C=CC[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccncc1 1679334173 JQJWETQZKPNZFX-VXKWHMMOSA-N 438.572 4.826 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 1681942323 KLAWMLPEFFQVGY-MRXNPFEDSA-N 444.329 4.612 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[C@H]2CC)c1 1689868350 DICFCTWCGWJKEQ-RTWAWAEBSA-N 445.567 4.729 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1689946209 NLUSJYAIAUVJKC-WOJBJXKFSA-N 444.023 4.509 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCCC(C)(C)C1 1690161525 IMHYFJSMSJAGTO-UHFFFAOYSA-N 439.448 4.762 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC1CC(F)C1 1690226846 OAQCOKFUAFBFGH-UHFFFAOYSA-N 446.324 4.693 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccccn1 1690419883 DUDIWXPANSCOAJ-UHFFFAOYSA-N 427.556 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1690426418 NGYSJRWRGHKWLN-XMMPIXPASA-N 439.991 4.713 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1)c1ccccc1 1690444961 PDKFTTCTZLQDOY-ILZDJORESA-N 445.489 4.789 30 10 IJEE C=CCCCCn1c(N2CCC[C@H]2c2ccc(O)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1690467971 NZEALMUBZQSYEP-WIOPSUGQSA-N 440.588 4.722 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccc(Cl)cc1 1690517396 DPBVKKDCGKMPSX-UHFFFAOYSA-N 434.769 4.564 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC1CCC(OC)CC1 1690518893 YNMYGIXYKUHBMW-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN(C)c1ccccc1 1690534902 PCGMBKLLWIAURH-FGZHOGPDSA-N 425.621 4.736 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1Cc1cccc(-n2cncn2)c1 1690574411 ZCMVTELZYIXGBD-SFHVURJKSA-N 433.585 4.675 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CC)CCOCC1 1690611316 IGMGTITXPHHRNJ-UHFFFAOYSA-N 449.599 4.647 30 10 IJEE COc1cc(Cn2c(CC(C)(C)C)nnc2N2CCC(CC#N)CC2)cc(Cl)c1OC 1697273369 GWUHYHULMJBQBN-UHFFFAOYSA-N 445.995 4.716 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OC2CCCC2)nc1 1705480433 RXOMJBKATCYAOH-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cccc(C)c1 1705576884 SHWOZKZUEZRUNQ-HXUWFJFHSA-N 444.604 4.592 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@@H]1C 1705604114 FOODBLMPHNFRKM-GMAHTHKFSA-N 437.632 4.759 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)CCC(C)C 1705607057 OSNLCEVANBDXHF-KOSHJBKYSA-N 428.646 4.778 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCCOC1CCCCC1 1705678296 VHDSKMUJFFALBB-RUZDIDTESA-N 440.563 4.728 30 10 IJEE C=C(Br)Cn1c(CC)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1705688245 QGTDVAHAQJFYHG-UHFFFAOYSA-N 433.394 4.737 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)C1CC1 1705694807 FMLBMXJDGBGNOG-KUHUBIRLSA-N 449.368 4.817 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnn2ccccc12 1705719632 FUCAXLKTVLMDFG-UHFFFAOYSA-N 430.556 4.572 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705745112 AITSFSRDCGQXSL-SFTDATJTSA-N 439.995 4.622 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2c(C)noc2C)CC1 1705785035 SWQDAHGXMAVRES-MRXNPFEDSA-N 439.535 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCn1cccn1 1705788810 NYEBEDXXYMPPFH-UHFFFAOYSA-N 449.422 4.704 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1705820195 DXVLOCHTAYVEPJ-UHFFFAOYSA-N 449.643 4.763 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H](OC)C(F)(F)F 1705862100 YSPQLCYOOQLKHA-RBUKOAKNSA-N 438.494 4.680 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2ccco2)C1 1706441517 DIDATYVYSFOXCO-SQJMNOBHSA-N 433.556 4.591 30 10 IJEE CC(C)N(CCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N)C(C)C 1706743899 GVPKLHSRLXNJER-KRWDZBQOSA-N 447.425 4.565 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722328536 WAJBJVJCSFLKCU-FCHUYYIVSA-N 445.567 4.501 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CC=CCC1 1722333076 HCUADNGDOOTTOK-HXUWFJFHSA-N 441.620 4.599 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(C)(C)C2CC2)CC1 1722432607 YTSGVGUDVBESTM-JOCHJYFZSA-N 449.643 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)COCC 1722467917 XPYHAUXEHJOIMK-HOYKHHGWSA-N 428.552 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](COC)C1 1722496884 OPGGRPXUWPFMFZ-FIKGOQFSSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CCC)CCc1cccs1 1722507968 QOWZULCIBXNASW-SIKLNZKXSA-N 439.629 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](OCc2ccccc2)C1 1722510868 XJHQFMUJMHHKJH-FIXSFTCYSA-N 438.616 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1722526443 FOVUVOQIEIZPHK-HSZRJFAPSA-N 434.588 4.521 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCC2)CC1 1722602225 TUDABGNMZGOIHG-UHFFFAOYSA-N 429.996 4.638 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C=C)CC1 1722688281 AKAPGIVGUSQYSG-UHFFFAOYSA-N 441.988 4.518 30 10 IJEE CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCC(F)(F)F)CC2CC2)CC1 1724043524 IDRCBRNCEYGXFZ-UHFFFAOYSA-N 433.478 4.698 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(N2CCCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1727713279 HQPWDDAEWDHAND-UNMCSNQZSA-N 434.632 4.990 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(-c2ccccc2)n1 1740542361 UEHFRGJOPGQMOG-MRXNPFEDSA-N 448.983 4.818 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1740568892 UFSZMWBNQARDBA-GOEBONIOSA-N 449.418 4.576 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nccc(C(F)F)n1 1740601641 HAAGMAZQCKAAHO-UHFFFAOYSA-N 444.898 4.659 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(C)C)C1 1740710764 BUXHOAIHNXXBOP-KRWDZBQOSA-N 433.419 4.556 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)cs1 1740721695 QNGSALYBNYCFRC-UHFFFAOYSA-N 447.029 4.883 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@H](C)C1 1740745846 HWNRSONGXVPGKL-CHWSQXEVSA-N 425.321 4.538 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1740761927 PZAGCAMOSYZLPT-IFMALSPDSA-N 439.560 4.504 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1740820680 MVUGQKFEYKHFBL-OALUTQOASA-N 444.023 4.643 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1740862374 QMTNCCVGAWWFKK-UHFFFAOYSA-N 425.577 4.511 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740882584 QSYBSMSZEJJHDT-DNVCBOLYSA-N 439.387 4.706 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(Cc2cccs2)C(C)C)cc1 1740967680 NKYNXRIOYGGNMA-FQEVSTJZSA-N 438.597 4.872 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CC[C@](C)(CC)O2)C1 1740974079 INXXCLYZXWUASK-VIZSFHNOSA-N 430.980 4.728 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1741515958 BIJXBHCTDAYICU-JYFHCDHNSA-N 446.599 4.788 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CCCCC1)N(C)C 1746303422 AYXUUAOBWGQOQP-DEOSSOPVSA-N 434.632 4.954 30 10 IJEE CO[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1)C(C)(C)C 1748432145 AMFLBWFKTNHTFZ-SQJMNOBHSA-N 448.571 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCS1 1748686325 NDFBWIIQZHJOAT-NQIIRXRSSA-N 426.630 4.898 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1748907049 FRXVLOMMKLDJGN-AZUAARDMSA-N 433.625 4.909 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cc(COC(C)(C)C)on1 1748907375 JKXLLRWUUJLMEF-UHFFFAOYSA-N 447.583 4.559 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1749039912 FLSLEAKAPPKYKC-SFTDATJTSA-N 428.671 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@H](F)C1 1749060205 KXGRTRULIRTCRX-LRAJWGHMSA-N 449.343 4.977 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CC1=CCCOC1 1749078151 GIHPJYQJKJLXPD-JOCHJYFZSA-N 447.366 4.503 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1Cc2ccc(Br)cc2C1 1749231035 BAXJMKIVTOSMRX-UHFFFAOYSA-N 433.394 4.742 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1749284126 GATRLNJNRHFLNZ-VSZNYVQBSA-N 425.017 4.589 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCc2ccccc2)CC1 1749288261 OQMBRKTZQITMNA-UHFFFAOYSA-N 440.389 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749376252 TULVPCXVJLAWJZ-IBGZPJMESA-N 441.645 4.573 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749390414 DPQNMDYAISIOCG-HXUWFJFHSA-N 435.572 4.789 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1749437993 NVGPQTSNZJRTIW-FQEVSTJZSA-N 436.560 4.516 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCc2cccnc21 1749473389 HCELDLBKFFWRGN-GOSISDBHSA-N 438.373 4.845 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccsc1 1749528729 ZOZHXTKKUGFDPK-DEOSSOPVSA-N 440.613 4.746 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCSC1 1749530355 ZQAMPRQOOAJQLR-OAQYLSRUSA-N 449.624 4.608 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccco1 1749537139 AAPGUXDNSPQSBA-XMMPIXPASA-N 434.565 4.624 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC1CCCCC1 1749544506 IZLNIZPDPNLKLK-UHFFFAOYSA-N 436.585 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1C[C@@H](C)O[C@H](C)C1 1749564429 WFDJMPWPXNZUIM-IAGOWNOFSA-N 430.980 4.989 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cc(C)on1 1749582122 BHGONGJOJYLQIP-UHFFFAOYSA-N 434.327 4.687 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1OC 1749584744 PYPOEKZVXVRMOQ-VWNXMTODSA-N 431.584 4.699 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1CCC[C@@H](C)C1 1760110772 HANYYWYKYGZPSH-UXHICEINSA-N 446.599 4.569 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)CC 1760197917 PTEGOVUJPLKHQT-UHFFFAOYSA-N 433.781 4.870 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(C)nc(N2CCCC2)c1 1760227844 OHBVQXDVLROMSF-DEOSSOPVSA-N 442.611 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)c1nccs1 1760298867 XZTOGSVDDDKNCI-YADARESESA-N 435.597 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CC)C1 1760317437 GASGCCLAPBQLLO-POAQFYNOSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(Cc1ccco1)C(C)C 1760320391 UTMSHIGVVUFOIK-AUSIDOKSSA-N 436.556 4.943 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760429910 UESRWOHDDNAQSC-FCHUYYIVSA-N 425.621 4.749 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760443977 SHPHWUJKAREKNQ-UHFFFAOYSA-N 441.645 4.540 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1760503686 NJRHOQUMWCJFAP-UHFFFAOYSA-N 441.576 4.580 30 10 IJEE CCC[C@](C)(O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(C#N)CC1 1763721551 AOABEXGIGUVYJU-VWLOTQADSA-N 439.604 4.661 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1769758391 FKXNQMPUCOZQSB-ZWKOTPCHSA-N 429.540 4.502 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1)C(C)(C)C 1770439154 BJZHEDRAKLZTKR-MAODMQOUSA-N 439.629 4.598 30 10 IJEE CS[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)(C)C 1770439592 DTDWQBQVJKYYJL-APWZRJJASA-N 427.618 4.598 30 10 IJEE CSc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1770489852 BCDBFBRSEJOGON-REWPJTCUSA-N 425.602 4.614 30 10 IJEE O=C(O)c1ccc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772736183 KSOAYVCTADGYLF-XQVDRLQHSA-N 444.468 4.892 30 10 IJEE CCCCCCCCn1cc(O[C@@H](C)C(=O)Nc2cccc(C)c2C)c(=O)cc1C(=O)O 1857889929 AOQOMQKVEQGNJP-IBGZPJMESA-N 442.556 4.930 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1859036176 CVRXCTGRPMXMKN-NTCAYCPXSA-N 440.499 4.896 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)c3cccc(F)c3)c2)sc2c1CCC2 1860094846 USSKRSNQKOQKOW-UHFFFAOYSA-N 435.480 4.517 30 10 IJEE N#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)cc1 1860914013 YDPZAZDTRUBICX-QHCPKHFHSA-N 442.906 4.673 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2c(c1)CCCN2C 1862442664 GKCCYUFOFHRMMQ-QFIPXVFZSA-N 438.955 4.957 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 1862450105 ZVCDFWPHSUWPHO-HXUWFJFHSA-N 439.895 4.648 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(O)c2)cc1 1862613858 REZOPCCUOALBEJ-HSZRJFAPSA-N 442.515 4.863 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(O)c1 1862747966 WYHWUGOALUGVCM-OYHNWAKOSA-N 444.443 4.640 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839277 GDMUNIDSSUFTQT-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(N4CCCC4)cc3)C2=O)cc1 1862892550 VATTXHTXXLFSCX-UHFFFAOYSA-N 448.526 4.864 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2ccc(Cl)cc2)C1=O 1863054170 FLXXPBOZUZSJGL-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccccc2Cl)C(=O)N(c2ccccc2C#N)C1=O 1863083620 SCLRYKFDBQYCEQ-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccccc2C)n(-c2cccc(Cl)c2)n1 1870002225 GJHGMHKUIBOWBU-UHFFFAOYSA-N 435.959 4.979 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1 1870108617 PRTKXBDDEYFJNM-DEOSSOPVSA-N 435.531 4.725 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)cc2)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870142158 CXGVEZDJBIGJDK-QNGOZBTKSA-N 425.879 4.972 30 10 IJEE COc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CSC(C)C)cc1 1870232988 RYVGNMGMNDXXHR-UHFFFAOYSA-N 434.561 4.997 30 10 IJEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870233180 DXPTWGVXGXXDLJ-UHFFFAOYSA-N 442.544 4.795 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1ccccn1 1870466800 JFIOQXGARPUJAI-UHFFFAOYSA-N 429.564 4.607 30 10 IJEE C=CCOc1cn(CCCCc2ccccc2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870809838 XZAQVEPIBDGUNU-UHFFFAOYSA-N 428.536 4.924 30 10 IJEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870836699 QWCZSQKGNWTHII-KRWDZBQOSA-N 436.980 4.852 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(CCCCN1CCCC1)CO2 1871348267 BBCUSKHSMHPCRI-HAHDFKILSA-N 436.527 4.778 30 10 IJEE O=C1/C(=C/c2ccco2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2Cl)CC1 1871394171 IVNKLGQNFQPTDJ-HMAPJEAMSA-N 436.895 4.577 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CCCC 1872197628 SSOGAHCRVCGFOZ-HXUWFJFHSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872547298 BXUVGPSXXQBZNH-WMZHIEFXSA-N 428.598 4.924 30 10 IJEE N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)cs1 1872765227 KFDNUPZTENRUHM-HNNXBMFYSA-N 428.267 4.971 30 10 IJEE CCc1cccc(C)c1N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3cccs3)cs2)CC1=O 1872774199 KADYKJVLDBDVSY-DLBZAZTESA-N 435.574 4.972 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccc(Cl)cc2)=C(c2cccnc2)C1=O 1873074471 RKJSSAGBWLKCBI-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE N#Cc1cccc(NC2=C(c3cccc(Cl)c3Cl)C(=O)N(Cc3cccnc3)C2=O)c1 1873333785 ARJXZTALGOQPQW-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874215637 CDNUEWJYLKGJCR-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1/N=C/c1ccccc1OC 1874228295 CBVHVTUFVARYGB-LFVJCYFKSA-N 436.537 4.591 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874246012 IIFCTXOJPXLEBR-PXLXIMEGSA-N 425.514 4.501 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2sccc2C)c1 1874465344 DRDGFTLHHUNSIK-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2cccc(F)c2)cc1 1874472287 WNPSRSPZKHTLOG-PCLIKHOPSA-N 442.560 4.960 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(O)cc1 1874475110 JVNWWYLDIOZBET-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1c(F)cccc1Cl)Nc1ccc(F)cc1 1874516219 MJXJKCWMEWKDAK-YSURURNPSA-N 447.898 4.700 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC(=O)NCc1ccccc1 1874595378 IKTUZOLTVXOCHO-NTUHNPAUSA-N 435.907 4.940 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Br)c1OCCCO 1874609249 GXIMUSUUZNVPJF-BJMVGYQFSA-N 435.314 4.514 30 10 IJEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccccc3OC)ccc2OC)cc1 1874697790 ACXXYNCQAFZGDE-GXDHUFHOSA-N 432.472 4.757 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 1875119424 UEOOIJLBPYJSDI-ZRDIBKRKSA-N 448.387 4.627 30 10 IJEE COCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1875124518 OOKIMKINZZEDOS-VOTSOKGWSA-N 439.689 4.559 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1875189564 WGMKWTCKVBVJMG-SXQCNTSWSA-N 436.247 4.882 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)c(OC)c1OC 1875193789 ABSLZZQMWNEDHN-UKTHLTGXSA-N 436.435 4.967 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1944734016 PUIVLRCMAQAFQJ-QFBILLFUSA-N 431.533 4.586 30 10 IJEE C[C@@](Cc1ccc(C#N)cc1F)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951720371 GXNMKNYZVVVCBH-SANMLTNESA-N 444.462 4.622 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN1c1cc(Br)c(C#N)cc1F)C2 1965597171 KKKFYIJGWHDTDJ-XCLFUZPHSA-N 438.341 4.734 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C[C@@H](C)C#N)C1CC1 1984689947 DHKZMMJHLXCJRD-BVZFJXPGSA-N 445.563 4.700 30 10 IJEE C#CC[C@H](C[C@@H](N)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2020079050 QNSMJAVTYZMTGP-JQYIIUTOSA-N 426.601 4.597 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C)s2)c1 2033814005 XQECWELYFDXBJF-IBGZPJMESA-N 425.531 4.905 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2038525369 OIPQUGVYJLIWBX-NVQXNPDNSA-N 446.632 4.668 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(C)c1 2079881730 PHHINPUMKFHWLR-LJQANCHMSA-N 447.320 4.943 30 10 IJEE Cc1ccc([C@H](C)n2nc(C3CCC3)c(C=NO)c2I)c(F)c1F 2079924938 FXKUPWLCFYOEQS-JTQLQIEISA-N 445.251 4.759 30 10 IJEE C#CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(Cl)c(Br)cc1N 2084775938 PGYNLBIQTWEFNF-GOSISDBHSA-N 431.758 4.618 30 10 IJEE C[C@H](c1cscc1Br)N(C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2130027178 QCULULQSIXZKRP-IUODEOHRSA-N 444.395 4.617 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2163696913 BSOOEUNNAUBPHH-DYESRHJHSA-N 428.349 4.951 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2174766503 XDBSGOGZEUJFKN-CFVMTHIKSA-N 438.341 4.684 30 10 IJEE N#Cc1cc(F)c(N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1Br 2193226775 YZYVNYOUVVHZQP-KDOFPFPSSA-N 442.254 4.935 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Nc1cc(Br)cc(F)c1C#N)C2 2193309687 LTMBOEWYBBYDKX-GNCDUGFZSA-N 442.304 4.750 30 10 IJEE CC[C@@]1([C@H](C#Cc2ccccc2Br)NC)CCCN(C(=O)OC(C)(C)C)C1 2235724023 VBPAIASAHVXYHQ-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@H](O)C#Cc2ccccc2Br)C12CCC2 2235725714 DRWCDSSPFKMLGX-YQVWRLOYSA-N 434.374 4.635 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2235734481 WNMBGIXDPKBDIW-YQVWRLOYSA-N 435.406 4.718 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2235735058 YJXZSMFRMOSNLJ-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE C#CC[C@@H](C[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237415055 LZHMWNGSDOCJEA-DBVUQKKJSA-N 436.390 4.685 30 10 IJEE CN[C@H](CC=CC#CC(C)(C)C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2248474179 OCOFRBJICKGDEZ-PKTZIBPZSA-N 427.633 4.596 30 10 IJEE C#CC[C@@H](C[C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C1CC1 2256708257 ZIHTYDMVPITRNG-BJKOFHAPSA-N 440.628 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 2261824620 WCQMRJYOLCXVJV-UQBPGWFLSA-N 447.572 4.657 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(C)n2)CCCN(C(=O)OC(C)(C)C)C1 2272241937 GDXIVFNEXMQGSQ-LJQANCHMSA-N 426.355 4.520 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(O)C#Cc1ccccc1Br 2285817170 BIHIWBKJFYYIPW-XYGUIBQMSA-N 434.374 4.635 30 10 IJEE Cc1cc(C)c(S(=O)(=O)N=C2C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)c(C)c1 2293092007 GEVFFJYEEPSENG-UHFFFAOYSA-N 446.528 4.688 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](O)(C#Cc2ccc(Br)cc2)CC12CCCCC2 2296270727 AUMLRUDFCFJTOV-JOCHJYFZSA-N 434.374 4.875 30 10 IJEE CCCCOc1ccc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(C)C2=O)cc1OC 2314548292 SHCNJDMVUOHUSO-UHFFFAOYSA-N 440.521 4.806 30 10 IJEE C[C@@H](Oc1cccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1)C(=O)O 2314931605 PJYLVUOSNGWWDF-SNVBAGLBSA-N 437.304 4.737 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1c(F)cccc1Cl 2321059070 TXCGNZGVXINJNF-UHFFFAOYSA-N 445.951 4.863 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 2322371753 BBSCKJWYEZHJHQ-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)C(=Cc1ccccn1)O2 2323283316 TXLXMZGTCRNTKS-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)ccc1OC 2323310457 OUBPWMUEVVWNSQ-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1C 2323562634 VYHSYLUSJPRXHZ-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)s1 2324800568 CVSKGKICSGXWIZ-QGZVFWFLSA-N 435.505 4.513 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325513007 KZVOHVXDCPGIAJ-UHFFFAOYSA-N 429.477 4.548 30 10 IJEE O=C(N[C@@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1ccc2cc[nH]c2c1 2328355722 UNCYBKKWMWWRCS-WIYYLYMNSA-N 442.346 4.608 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc(OC)c1O 2328897243 QZDJLIOHAPGNRY-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccs1 2329144594 DCRPNTYIXPSTIW-UHFFFAOYSA-N 434.974 4.511 30 10 IJEE COC(=O)CSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(C(C)C)cc1 2329490193 WMCJMDFLWJRIER-UHFFFAOYSA-N 436.581 4.642 30 10 IJEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 2330534603 SDLVUWGLDVPEIN-XMMPIXPASA-N 443.934 4.981 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1)c1ccccc1 2330879250 IHIOIXLOHSBXFI-GOSISDBHSA-N 435.597 4.718 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)c(OC)c1 2330894496 OJLBOXMZODSPQO-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE COc1cccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)c1 2330996183 ZRNQSABRNSCLKS-IBGZPJMESA-N 428.945 4.966 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1N=Cc1c(OC)ccc2ccccc12 2331293141 WZHQOGXIHFZVIH-UHFFFAOYSA-N 446.576 4.846 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2F)cc1 2331442627 QRCSGKAOXMYIFG-UHFFFAOYSA-N 443.523 4.676 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1cccs1 2331445114 IABKYUZRWNMGGM-UHFFFAOYSA-N 436.485 4.920 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccc(F)c2)c1 2331484943 DGKRXBZGCDQQLD-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CCOc1cc(C=Nn2c(COC)nnc2SCC)ccc1OCc1ccccc1C 2331569235 QQIIDMPAHDBRIU-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE C[C@@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N1C(=O)OC(C)(C)C 2339534997 JPAGFFFFOBLHRJ-QZTJIDSGSA-N 443.397 4.560 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2360196428 QLJOOHHZYGCDOA-IHPCNDPISA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1nc(CC)cs1)c1cc(Br)c(Br)s1 2363977682 ADZKHWUZMLVNCE-NSHDSACASA-N 434.222 4.994 30 10 IJEE O=C(/C=C\N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccc(OC(F)F)c1 35679248 DBMCYOMSWJZYFP-FPLPWBNLSA-N 440.412 4.821 30 10 IJEE O=C1/C(=N\O)c2cc(Br)ccc2N1Cc1ccccc1OCc1ccccc1 39854059 VQBQHWAPGODCPR-FLFQWRMESA-N 437.293 4.753 30 10 IJEE COc1ccc(CCn2c(O)c(/N=N/c3ccccc3C)c(C)c(C#N)c2=O)cc1OC 39870716 ABGZACRLYKUUBW-CYYJNZCTSA-N 432.480 4.718 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cc(OC)cc(OC)c3)ccc2C1=O 41292916 HDORABARYVKPKX-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1OC 41660591 VXAOHUCGAHVTIY-CFRMEGHHSA-N 447.487 4.616 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 109889205 APZRLYZEMWFNOK-SFHVURJKSA-N 437.521 4.580 30 10 IJEE N#C[C@@H](C(=O)c1csc(I)c1)c1cccc(Br)c1 124137561 VVMTXGPTPCGZEP-LLVKDONJSA-N 432.080 4.605 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 169953575 IDKRAPZBOZZHBE-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1C 169964430 JAUTZYRKNJCRLY-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc2ccccc12 170044247 SYMMUSSWKNRQKM-HOYKHHGWSA-N 443.499 4.606 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 170081301 BUZDIXSPQZNLAW-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 170159499 HALFTOYGBRYKCW-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)c1 170163388 YVMSHXPSEPZSDS-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1ccccn1 170172480 VQSKHRYHDRISFM-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1ccccc1F 170252848 VWALIWIIGUDJTB-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC)c1 170323178 UGOGPGRWAHRFRT-XMMPIXPASA-N 445.515 4.853 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(N(C)C)cc1 170445720 GOEPMQGOKJLIHS-LJQANCHMSA-N 432.442 4.897 30 10 IJEE N#Cc1cc(Nc2cc(Br)ccc2I)ccc1[N+](=O)[O-] 312486146 XMUPTSPIZSATTB-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)c2cccc(I)c2)C1 382008500 SXQFVHHOCRPQGR-GOEBONIOSA-N 426.298 4.545 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)cc1C#N 440301770 FZACGUIKLSVWQR-UHFFFAOYSA-N 430.411 4.714 30 10 IJEE C=CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(F)(F)F)cc1 441572366 WOZRBLULQNBHHX-HXUWFJFHSA-N 434.458 4.974 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 442274997 NXIFUNYTSCBIBI-LEWJYISDSA-N 445.485 4.986 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccncc3)c2)cc1 490057507 CZPWPYMCYCHSDE-VWLOTQADSA-N 448.482 4.590 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 508510951 SLBQISCJWFWVHB-JLHGSKIFSA-N 449.020 4.573 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508838826 AMEKZGMDWBTADE-AFMDSPMNSA-N 448.567 4.532 30 10 IJEE Cc1ccc(CSc2nnc(C)n2/N=C\c2ccc(O)c(Br)c2)c(C)c1 526810911 SKWDQGDMOLJNFF-FBHDLOMBSA-N 431.359 4.846 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nccs2)C1 558996377 CHORKRKSGBBXOI-MAUKXSAKSA-N 445.976 4.682 30 10 IJEE CC(C)(C)c1csc(NC(=O)c2cccc(NC(=O)NCc3cccnc3)c2)c1C#N 586637607 CCKLUAHYPSBDDT-UHFFFAOYSA-N 433.537 4.886 30 10 IJEE N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccc1Br 610158191 XNJZJIFBTYDRBQ-FMKPAKJESA-N 439.231 4.832 30 10 IJEE O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc2c(C(F)(F)F)cc(O)nc2o1 680240297 VPMNCWFCYXLABK-ZDUSSCGKSA-N 440.246 4.864 30 10 IJEE Cc1ccc(C#N)c([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687753626 WPAOQJNVLDLGOR-DEOSSOPVSA-N 426.472 4.921 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@H]2C1 698867971 PAAFJGBMJKTXBN-AUSJPIAWSA-N 447.498 4.715 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(C2CC2)C(=S)N[C@H]1c1ccc(O[C@@H](C)C#N)cc1 731432716 LJINPUIHKHRNGN-HJPURHCSSA-N 431.561 4.680 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 732427616 FLYACHFHPOIBLM-SFHVURJKSA-N 436.512 4.790 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccsc1 790739276 PBPOHQDXKCQYMA-LJQANCHMSA-N 441.578 4.521 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccccc2)CC1 802146656 ZXZIZIOVKCFRTQ-OAQYLSRUSA-N 437.588 4.597 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 802558062 NXFIHWANSUHIOT-GOSISDBHSA-N 427.474 4.853 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccccc2F)n1)N(c1ccccc1)c1ccccc1 1084540981 ZTHDRFHHFBYEGX-UHFFFAOYSA-N 446.511 4.847 30 10 IJEE C#CCCOc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2C)cc1 1125585133 GLUSLPSOMZEIJO-SANMLTNESA-N 438.527 4.997 30 10 IJEE C#CCN(C(=O)[C@@H](C)Cc1ccccc1C)[C@H]1CCOc2ccc(Br)cc21 1126150666 CZBWMRJTIOYJCW-UWJYYQICSA-N 426.354 4.922 30 10 IJEE C#CCC1(NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CCOCC1 1133710435 ZWIGEWAKVGVUJP-UHFFFAOYSA-N 432.289 4.683 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1ccccc1 1134862162 PUMMGOXMMHRKOA-MHZLTWQESA-N 444.354 4.547 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 1136007956 MQRKBWSSZBLOTM-HXUWFJFHSA-N 436.512 4.576 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1 1142298357 HKHUWMGILBYMNN-RVWIWJKTSA-N 441.572 4.523 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2 1142866069 HLBIYKWJNKCSAI-JQJXBVGUSA-N 444.641 4.813 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 1144404364 ZLJQRNLSAGFAPB-CVEARBPZSA-N 426.344 4.924 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cn1nnc2c1CCCC2)c1ccc(C)c(C)c1 1144711753 WYWCOHONSHDCRP-UHFFFAOYSA-N 430.552 4.572 30 10 IJEE CC#CC[C@@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1144922042 FVBGABXGMQLGJJ-DEOSSOPVSA-N 435.527 4.710 30 10 IJEE CCO[C@H]1C[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C12CCCCC2 1169998653 FAZCKSFRXWXMEN-VXKWHMMOSA-N 426.605 4.748 30 10 IJEE CN(Cc1cc(Br)ccc1Cl)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1193372461 CMZXDLHKEXQQRY-IBGZPJMESA-N 432.749 4.602 30 10 IJEE C=CCC1(CNC(=O)Nc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)CCCC1 1203118821 MGKMETNUNFFFLN-UHFFFAOYSA-N 431.581 4.713 30 10 IJEE O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCOc2c(F)cccc21 1220750547 BOZPHBHCNJMMNF-GPCCPHFNSA-N 428.348 4.858 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 1222554361 SAYJJVLHWZAZMU-AOHZBQACSA-N 438.593 4.635 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1264764477 HSIMLTAATFOTHX-JOCHJYFZSA-N 440.584 4.853 30 10 IJEE C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1cccc(N2CCCC2=O)c1 1264776484 FSYOTPVUUFDQDH-SFHVURJKSA-N 425.488 4.968 30 10 IJEE C#CC[C@]1(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1265741248 JUDZGQXKZRXYHK-XMMPIXPASA-N 428.960 4.749 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccc(C)cc2)cn1)[C@H](Cc1ccccc1)C(=O)OCC 1269219667 JQGCUGRZOPMVLF-RUZDIDTESA-N 444.531 4.985 30 10 IJEE C#CC[C@]1(C(=O)N2CCCc3c2cccc3C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1276823883 NNPCYTLXBYZKBO-JOCHJYFZSA-N 436.474 4.778 30 10 IJEE CC(C)[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)OC(C)(C)C 1277455512 HDZMARRVZDVXJE-LJQANCHMSA-N 426.488 4.833 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1CC 1286542064 GTANJVGSFVJNKJ-OAHLLOKOSA-N 425.758 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCC(C)CC1 1286567966 XEZRVOJYNFWNLG-PLASIRJYSA-N 429.634 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1nc(C)c(C)s1 1286583640 NVGILXYEOFCMDR-UHFFFAOYSA-N 425.602 4.596 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@H](C)C1 1286623312 WYHNFYIKVAHZHI-HDICACEKSA-N 425.964 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 1286672556 DTAFCHILAIJXQC-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1286686699 IGWUUEYMTSCKLW-UHFFFAOYSA-N 449.574 4.718 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1286686846 DAPZSPQXIBXUNU-IBGZPJMESA-N 431.575 4.994 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286756588 ZXLMCEQOSFNWSB-HTAPYJJXSA-N 449.382 4.768 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1286777851 LOFVRCPAEUSWAA-VQTJNVASSA-N 441.645 4.586 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCc2csc(-c3ccccc3)n2)C1 1286799898 BOIXEQHBZVTMFH-NQIIRXRSSA-N 437.613 4.939 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCCC1 1287155677 FHZBLNHCEXZWHN-DHIUTWEWSA-N 434.632 4.810 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1 1288480965 WIEITNWKWNATPQ-RHDGDCLCSA-N 425.326 4.623 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(CC)ccc2Br)CCCN1C(=O)OC(C)(C)C 1288576517 PHWTZPMFKQYPLY-OAQYLSRUSA-N 435.362 4.743 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1300363321 DUONFBDNIFVCAT-UHFFFAOYSA-N 445.652 4.896 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CC1CCN(CCC(C)C)CC1 1300605070 WOYHYGAWBMMXAD-UHFFFAOYSA-N 428.024 4.816 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Cl 1300886472 XTPYMEIQJKITQQ-TYPHKJRUSA-N 430.980 4.791 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1301176091 PGJGIQWCDBPWNF-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1301195093 UOYXUAMHMGEEDI-HXUWFJFHSA-N 431.625 4.670 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1oc(CCC)nc1C 1301274014 ZTQYYXLZWJKBDE-INIZCTEOSA-N 429.952 4.991 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCSC1 1301594679 IKELKFMJISZITD-RTBURBONSA-N 432.659 4.896 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccc(F)cn1 1305428076 BHPSBHHKQUQMLR-NSHDSACASA-N 439.379 4.695 30 10 IJEE CCC(CC)c1cc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)on1 1305713838 AZIQHQYHGQWXJA-QHCPKHFHSA-N 448.571 4.968 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cc(Br)ccc1C#N 1306921430 RCKIWTHUQXFXMU-UHFFFAOYSA-N 445.317 4.968 30 10 IJEE C=CCN(Cc1nc(N)c2c(C)c(C)sc2n1)Cc1cc(Br)ccc1F 1307447730 CEBGTBJBAYOKOV-UHFFFAOYSA-N 435.366 4.980 30 10 IJEE COc1ccc(C(C)(C)Cn2c(C(C)C)nnc2N2CCC(CC#N)CC2)cc1OC 1315366557 ASZMDSHCBBNMEM-UHFFFAOYSA-N 425.577 4.527 30 10 IJEE C=C(C)Cn1c(-c2ccco2)nnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 1341817522 HSIQVDVMHIYQEM-QGZVFWFLSA-N 434.475 4.687 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cccc(OCC(F)F)n1 1353012667 BWBDHLOUANWCAV-UHFFFAOYSA-N 425.410 4.892 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccccc2OC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1354042845 MXPBJMCLRBZODS-FQEVSTJZSA-N 428.451 4.547 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1358982686 GWSVXEUVPZIZOE-GOSISDBHSA-N 446.929 4.799 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC 1359078576 HXDAPNFUKQXAPE-UHFFFAOYSA-N 434.563 4.726 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1359117624 KYCAWHOPOCUULF-SIKLNZKXSA-N 437.632 4.922 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN(C(C)C)C1 1359232347 RZJRZGZSBSQMAV-RTBURBONSA-N 432.012 4.814 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2ccccc21)C(C)C 1359265249 BUDUZQFOTIAFHU-ISKFKSNPSA-N 435.616 4.565 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359273778 NUTNOUHPGSPRDV-BGYRXZFFSA-N 427.662 4.865 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCc1c(C)noc1C 1359275191 MSNMHTALJPMIQY-UHFFFAOYSA-N 442.567 4.731 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)C2CCCCC2)cc1 1359307617 PQVFJPLUUGQYRI-IBGZPJMESA-N 432.572 4.753 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(Oc3ccccc3)nc2)C1 1359321412 FYVVJBRRMIFDGK-JOCHJYFZSA-N 447.583 4.884 30 10 IJEE C#CCOc1cccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 1359925919 WBEQNOULJQYZPR-URXFXBBRSA-N 431.513 4.768 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2c(Br)cccc2C#N)cc1 1458047198 CQFQKNWPFMLOQA-AWEZNQCLSA-N 436.375 4.524 30 10 IJEE C#C[C@@H](NCc1csc(N(C(C)=O)c2ccc(OC)cc2)n1)c1ccc(Cl)cc1 1462308048 YKAKGUNKQSBTTR-OAQYLSRUSA-N 425.941 4.954 30 10 IJEE C=CC[C@H]1CCCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 1464036582 WRKGZJPGZTUWAW-UCGXPXSYSA-N 438.637 4.581 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)c1 1465926366 MHMKAVVCAXHJJF-UHFFFAOYSA-N 441.455 4.806 30 10 IJEE C#CC[C@@H](NC(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC)c1ccccc1 1466379464 MQLBUKUKKYQYDY-LJQANCHMSA-N 438.478 4.998 30 10 IJEE C#Cc1ccc(NC(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c(Cl)c1 1467402814 IXYOAPGOWXXFMD-QFIPXVFZSA-N 434.927 4.729 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)CC1 1468639591 LBDXHEVTRCSJGH-UHFFFAOYSA-N 434.422 4.553 30 10 IJEE C#C[C@@H](NC(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12)c1ccc(Br)cc1 1470662605 GPJCEROOBYFGGP-GOSISDBHSA-N 448.723 4.939 30 10 IJEE C=CCCc1ccc(S(=O)(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 1474913959 DNUUKWZXHZPLID-UHFFFAOYSA-N 447.556 4.771 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)C[C@@H]2COc3ccccc3O2)cc1 1476041930 UBHDXSKBTMSVJL-JOCHJYFZSA-N 449.551 4.585 30 10 IJEE C#C[C@@H](NC(=O)N(C)CCCOc1cccc(Cl)c1)c1ccc(Br)cc1 1478895596 DJIMDQOBBHBAEH-LJQANCHMSA-N 435.749 4.887 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccsc1 1503578558 CULRTXGPLZFQIU-HSZRJFAPSA-N 449.605 4.526 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCOC1CCCCCC1 1507642914 NZOKFWZBMPPOMY-QHCPKHFHSA-N 448.611 4.847 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C2CC(C(C)(C)C)C2)CC1 1507733283 SNSUUVDXRYCVSE-UHFFFAOYSA-N 437.657 4.631 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@](C)(O)c1ccccc1 1507822982 BSWGSFGXNJETFR-XLGIIRLISA-N 440.632 4.897 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1507825091 PBPQYXPMOHUSEX-GOSISDBHSA-N 432.494 4.785 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1507910772 DRPWUYXHUCIZPN-QZTJIDSGSA-N 440.588 4.665 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 1507924887 VIBQBENILPNWFD-VLCRHTCISA-N 439.604 4.686 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnc(C)s1 1507935947 WZUZCDCQNRXESN-HXUWFJFHSA-N 425.558 4.548 30 10 IJEE CC(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1 1509314612 FTFYBEBTMJBQGF-HXUWFJFHSA-N 444.624 4.569 30 10 IJEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)CC1 1510323986 FTZRBMIKGQDASO-UHFFFAOYSA-N 439.507 4.608 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1scnc1C 1513224954 GDNKWTJYJKEXLU-HYBUGGRVSA-N 434.613 4.958 30 10 IJEE C#CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1529626170 ADPHAMIHFDJOHB-HRAATJIYSA-N 442.353 4.937 30 10 IJEE C=CC[C@@]1(C(=O)OCc2ccc(OC)cc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1531296716 ZDRPDUCGYOWNFR-QFIPXVFZSA-N 441.471 4.686 30 10 IJEE C#CCN(C(=O)c1ccc(F)cc1I)[C@@H]1CCCc2ccccc21 1536279102 JIIMEVNTVYBTHA-LJQANCHMSA-N 433.264 4.583 30 10 IJEE C#CCN(C(=O)[C@H](CC)Oc1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1538199564 VBKBINGWGFCVSQ-RTWAWAEBSA-N 442.353 4.901 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCc1csc(C(C)(C)C)n1 1538993699 PTBVQZATTPKGGP-QGZVFWFLSA-N 444.608 4.948 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCSCC 1539305156 RNWPVTNBWJBAFF-UHFFFAOYSA-N 426.655 4.882 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1539505127 VDSATFYULTVUTE-XLIONFOSSA-N 438.000 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCNc1ccccn1 1539547084 PZDXOIXZKSWRGT-HSZRJFAPSA-N 438.938 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(c2ccc(F)cc2)CC1 1539650014 JCZIFYFZGWLNRC-VWLOTQADSA-N 442.579 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@@H]1OC 1539656089 SUZNOBVDCCQTBQ-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](CC)N1CCCC1 1539659448 XXMJBIXKOMTDSP-IBGZPJMESA-N 432.012 4.884 30 10 IJEE C=CC(C)(C)NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)c(Cl)cc1Cl 1539819315 LKCCKXJAZBBHHH-UHFFFAOYSA-N 441.380 4.903 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1539872086 YMQDYIDTCKELSE-XUZZJYLKSA-N 437.632 4.576 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1539947653 PQCQKCPLBRPVMH-SFHVURJKSA-N 449.559 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@](C)(O)c1ccsc1 1540128121 JCJGHPDFKJYLOK-DEOSSOPVSA-N 435.597 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(C)nc1 1540158477 IYJAQZLXGZJEFQ-UHFFFAOYSA-N 438.373 4.946 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)cc2OCC2CC2)C1 1540893287 ZPVWJQPPLOSCKF-QFIPXVFZSA-N 438.616 4.794 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC#N)CC1 1546633768 HFJXYUHFZWUGNW-VQTJNVASSA-N 437.588 4.919 30 10 IJEE CCOC1CC(CCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(C#N)CC2)C1 1548014715 FBPMJLKLAOIKBE-UHFFFAOYSA-N 443.979 4.552 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(OCc3ccccc3)nc2)CC1 1559802520 CQPAZOPRHFGDKF-XMMPIXPASA-N 432.955 4.696 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1 1562293556 RHOUQYLHYBQRJE-MRXNPFEDSA-N 427.220 4.886 30 10 IJEE C=CCC1(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CCCCC1 1563898375 ASYZVFHCECNUAS-HXUWFJFHSA-N 439.522 4.657 30 10 IJEE C[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1568071204 GSCVOURUTNYTIU-OPAMFIHVSA-N 434.540 4.973 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(Oc3ccccc3)cn2)CCCN1C(=O)OC(C)(C)C 1570800475 IMPPYHQBJLCXMW-VWLOTQADSA-N 437.540 4.836 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1sc(C)nc1C 1587580731 RQKFNKOEJLCEEB-HUUCEWRRSA-N 439.654 4.905 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(c2nccs2)CC1 1587818016 NXDWMMLBPSOMLW-UHFFFAOYSA-N 443.523 4.800 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1C 1588284024 KBWMPAOYMXVTFM-UHFFFAOYSA-N 429.387 4.780 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1588399094 MFVXBVLQSLXVCM-ZWOKBUDYSA-N 448.489 4.619 30 10 IJEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCC2(CCCC2)C1 1589096509 DEFLFBJGJNBUTG-UHFFFAOYSA-N 438.641 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC=CCO1 1589614677 BNDAFGRLDFQVIC-INIZCTEOSA-N 435.341 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCO[C@H](C)C2)CC1 1594077034 HCTMLNNEMIJYHB-IAGOWNOFSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCSC2(CCOCC2)C1 1594460815 CKSKNQKPPOBAJH-UHFFFAOYSA-N 442.629 4.658 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN1C1CCCCC1 1594857473 JTVYDKQPLVGNSB-TZIWHRDSSA-N 441.595 4.977 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H](C)c1c(C)noc1C 1595120363 SIAAKMQAXFSGKG-IBGZPJMESA-N 442.567 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@H]1CCC2(CCCCC2)O1 1595165958 NXQXZTSPGSRAAO-LJQANCHMSA-N 430.618 4.951 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC1CCCCC1 1595275875 RKKFQWHPDSSUJO-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C2CC(C(C)(C)C)C2)C1 1595729133 JTXYXOPMQFBYLG-ABHNRTSZSA-N 430.543 4.926 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)cc1OC 1596974047 OQNSGIQVRFRELL-VWLOTQADSA-N 433.504 4.797 30 10 IJEE C=CCn1c(SCCCN2CCC(Cc3ccccc3)CC2)nnc1-c1ccncc1 1613294503 FHGGEKLUZPPRHS-UHFFFAOYSA-N 433.625 4.963 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1CSC)N(C)C 1613507256 AORUFWLQXYVCQT-FCHUYYIVSA-N 440.661 4.515 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCCc2ccc(I)s2)c1 1623033842 OXZABEBWHRRIEA-UHFFFAOYSA-N 442.322 4.672 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)cc1 1623086698 RKGJCGGNJKTHQD-QFIPXVFZSA-N 437.540 4.866 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2c(C)cc(Br)c3ccccc23)c1 1623211318 KITFAVBKCLYVOB-UHFFFAOYSA-N 436.309 4.652 30 10 IJEE C=CCc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc(OC)c1OC 1624487619 FYJSHYSDLHWTFP-NRFANRHFSA-N 428.960 4.653 30 10 IJEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1627617738 GXDFBXKEVOZJSR-GOSISDBHSA-N 441.553 4.578 30 10 IJEE CCCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1C[C@@H](OCC)C12CCCC2 1629482995 FGQGTSQYUFBDMY-FCHUYYIVSA-N 425.573 4.643 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 1629503465 NMDCUZWFZGIHSI-LJQANCHMSA-N 430.932 4.865 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 1632913707 XNIXHAVVKCFOON-UHFFFAOYSA-N 426.563 4.952 30 10 IJEE C=CC1(CC(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)CN(C(=O)OC(C)(C)C)C1 1633899815 LBUMOTRQTKHRJN-UHFFFAOYSA-N 430.936 4.586 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 1636365764 ULAJQJGOZNMRRC-LJQANCHMSA-N 436.487 4.614 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)cc1 1636565031 FZORMUGAXJDTLM-HXUWFJFHSA-N 448.548 4.899 30 10 IJEE C=CCCSCCNC(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C 1636687447 WOQIMPYVYDATNS-IBGZPJMESA-N 433.618 4.742 30 10 IJEE C=CCCC[C@@H](NC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1638029626 MVFBZSPBHMZWLH-YPAWHYETSA-N 445.604 4.655 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1Sc1ncnc2cc(Br)sc12 1639260736 HZTPSPFRCDLWLT-UHFFFAOYSA-N 444.383 4.973 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCc2c(ncn2-c2ccc(C)cc2)C1 1639970801 UXUAHZFZBNACEO-UHFFFAOYSA-N 441.453 4.963 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(C(F)(F)F)c1)CC(C)C 1641312669 NKJGYNHJMMXHAF-IBGZPJMESA-N 440.506 4.997 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccccc2)c1 1644510641 AUGNPSNJFROSQZ-GOSISDBHSA-N 431.920 4.526 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCSC[C@H]3C3CC3)c2C#N)C1 1653665712 HPMKUSHZFBWZMU-LPHOPBHVSA-N 431.671 4.927 30 10 IJEE C=CC[C@@H](C)Sc1nc(C[C@@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1656224726 OXMWJTCTLJKQSR-QZWWFDLISA-N 428.602 4.584 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)cc1OCC 1657346875 FWHHWJVKXBBZDL-VDYXTEHCSA-N 444.435 4.582 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc4c(s3)CCC4)C2)cc1Br 1661643666 CKLZSXFWPPFVSF-ZDUSSCGKSA-N 431.359 4.677 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 1667591572 AHHVBGDWAPTOQM-OAQYLSRUSA-N 440.494 4.505 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1)[C@H]1CCCO1 1671264770 NEBDSVMGJLJWOE-IEBWSBKVSA-N 433.277 4.683 30 10 IJEE CCO[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1ccccc1 1671278599 ABOVSEUSDDCJDS-OAQYLSRUSA-N 431.540 4.941 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2SC)n1 1673804905 IAVDTWAEXYDMTE-UHFFFAOYSA-N 430.883 4.964 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 1677639448 QCYMJDSSNLYAOD-SFHVURJKSA-N 426.944 4.525 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccccc1S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 1679305800 RLEWSZIHMIQHGK-SFHVURJKSA-N 440.487 4.616 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1681942421 MQMXKGSPVCZVMD-LRSLUSHPSA-N 427.589 4.651 30 10 IJEE C#C[C@H](NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1682352631 QWDANMFVTOAYLH-IBGZPJMESA-N 425.743 4.915 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1682368378 ZRJLMGISUXJESO-QFBILLFUSA-N 437.943 4.584 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1689839808 MTRRWLHDLLQAJB-WIYYLYMNSA-N 437.975 4.877 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1689916181 BPZVNNZZEZYXTG-UHFFFAOYSA-N 429.355 4.703 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1689917724 DUPJENINGWFVJO-GOSISDBHSA-N 447.549 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1[C@@H]1C[C@H]1CCC 1690039602 MCSIKOZLKRYJIM-VQIMIIECSA-N 441.373 4.540 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCCO1 1690193509 LQHFEYOOBPEJDB-ZQMYSKGWSA-N 428.964 4.633 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCCOc1ccc(C)cc1 1690209232 OVCPVLQKZOYBRJ-RUZDIDTESA-N 449.624 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCc1nccs1 1690210389 ALOWJTVVGNZHMN-XMMPIXPASA-N 435.597 4.555 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CSCCS2)CC1 1690384029 AQQPYNZYUXSDGG-LJQANCHMSA-N 432.684 4.884 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@@H](C)[C@@H]1C)c1ccccc1 1690445111 RRUDHIBMOQWWFX-SXWKCWPCSA-N 433.625 4.954 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1690447219 MAVBBNBIOARYSY-SSGKUCQKSA-N 438.616 4.782 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1690539497 BNWLSWFSUIEIEQ-BJWYYQGGSA-N 430.980 4.966 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCS1)C1CC1 1690539533 CPIXVCABTXUTKM-CYBMUJFWSA-N 425.421 4.820 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1690605660 SNQCYDBJIZNAMZ-VQTJNVASSA-N 436.556 4.597 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)[C@@H](C)C1CCC1 1690664427 RXBQETXAYHJTDC-AWEZNQCLSA-N 436.387 4.569 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](OC)C1 1690736768 OIOIEQFPDLAEAT-GOSISDBHSA-N 432.659 4.810 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)C1 1694435351 ADJKDBQYTRYBPN-DEOSSOPVSA-N 448.596 4.520 30 10 IJEE CSc1ccc(F)cc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1698376730 DKULVLLDTQGPKC-QKYXUNIQSA-N 445.608 4.844 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1705543126 WMZUQQZJJDBSOP-ZRZAMGCNSA-N 433.644 4.576 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1N(C)CCCC1(C)C 1705592250 FXJXREGYZLIIAR-XMMPIXPASA-N 445.655 4.826 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1cnc(C)s1 1705654168 ZFDGGPKTQIOMQG-FQEVSTJZSA-N 425.627 4.588 30 10 IJEE C#CCSCCn1c(N2Cc3cc(Br)ccc3[C@@H](C)C2)nnc1C(C)(C)C 1705665170 LXXJZSVQKVAZTO-HNNXBMFYSA-N 447.446 4.828 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC(=C)Br 1705670637 CXVUIFMGXLHTGZ-LJQANCHMSA-N 435.753 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCC(F)F 1705697943 YZVJCQRHOULDFM-ACJLOTCBSA-N 428.886 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705705890 MNZDXCQOTADTOM-IZIIKQMZSA-N 444.645 4.553 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705739186 XRSVGUDATGTPCR-GOSISDBHSA-N 430.543 4.756 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705764833 OWGYVTNJZFUGJR-MRXNPFEDSA-N 446.420 4.670 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cc(C)no2)CC1 1705765388 JOTSYYLXTPYGEK-UHFFFAOYSA-N 428.334 4.517 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2c[nH]nc2C)CC1 1705778051 ZEYOJFAELFGASR-UHFFFAOYSA-N 428.943 4.804 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705794632 OSRINEVBDIRNDE-NRFANRHFSA-N 448.615 4.804 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(O)CCOCC1 1705797696 AOSNGLHKBMLZBY-UHFFFAOYSA-N 440.632 4.967 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCCC1 1705826227 RXIZCXRTBFKNDK-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC=CCC1 1705860755 OGCIOUDZEJFLHP-QFIPXVFZSA-N 441.583 4.560 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(Cc2cccs2)C(C)C)cc1 1705911689 NPAQISRRDPKQDI-UHFFFAOYSA-N 446.580 4.825 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)c2c(C)noc2C)c2ccccc2n1 1707251117 CKOKSYRTCUAIQY-WBVHZDCISA-N 443.555 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nccc(C(F)F)n1 1722513748 HZTZHKKCZDKOGI-UHFFFAOYSA-N 432.906 4.701 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)c2cccs2)CC1 1722568656 VHJFDECSNIPDCW-XMMPIXPASA-N 438.597 4.600 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1722600320 NHWKOICFYVTNCM-JOCHJYFZSA-N 444.583 4.860 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OCC(C)C)C1 1722612883 MMMMSQIHQNZAGN-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=CCCCn1c(N2CCO[C@@H](c3ccccc3Br)C2)nnc1C(C)(C)C 1722622332 IBWXVBPXBNXYTO-GOSISDBHSA-N 433.394 4.882 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1722623564 IWTUJOIHKGESPH-NRFANRHFSA-N 426.605 4.697 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1C[C@H](C)O[C@@H](C)C1)C1CC1 1722646861 MSBGYBGUXGEMTN-BZSNNMDCSA-N 428.552 4.916 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1722648403 QVGPMCKFLCHJJH-NRFANRHFSA-N 439.604 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1722660197 OWCTYZMEGWLKKM-LJQANCHMSA-N 436.579 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722662684 LJYGZEUMYKUHLA-CEWLAPEOSA-N 430.618 4.835 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1c(C)coc1C 1722676252 WEBYZXNLEIBWSP-UHFFFAOYSA-N 447.495 4.940 30 10 IJEE CCC(CC)(Cn1c(C2CCC2)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C 1727146342 AYALWKLYFLLKFN-QHCPKHFHSA-N 444.624 4.759 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cn2ccsc2n1 1740543879 YCGBMXMZIAWMSG-SFHVURJKSA-N 448.596 4.585 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCc1cccs1 1740620349 PPYQIJBOXYGYPW-UHFFFAOYSA-N 428.989 4.625 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@](C)(CC)O1 1740677183 QZOMNOZRWROPRX-GJZUVCINSA-N 447.558 4.775 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1740783213 XLJDWQNOEQJKEU-UYAOXDASSA-N 444.023 4.620 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(Cl)ccc2C1 1740843509 JQKWHCYMVIRHHR-QGZVFWFLSA-N 432.996 4.821 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1cc(C(F)(F)F)ccn1 1740896632 CHOAAHNYDDMJJD-UHFFFAOYSA-N 426.446 4.705 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCCC1)C1CC1 1740912005 NLXHHNZBJQHGNO-QFIPXVFZSA-N 428.024 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC[C@H](OC)C(F)(F)F 1740914906 NEKRDWSCSVDYJW-SFHVURJKSA-N 435.494 4.607 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H]1C 1740920233 JFZORVAOJBVBNZ-GHTZIAJQSA-N 436.579 4.908 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCCN1CC 1740936370 RIHHYLPGPJXVEI-FQEVSTJZSA-N 437.563 4.787 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCC2)CC1 1740997934 FUQORALNCVTIGZ-UHFFFAOYSA-N 439.673 4.836 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1csc(CC)n1 1748650761 DJZJSOBCGKIKSO-OAHLLOKOSA-N 425.627 4.801 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1748723840 AJHZIQRQQIDGHG-IRXDYDNUSA-N 431.378 4.515 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1C 1748833705 WTEGBZMHHRXGAF-LJQANCHMSA-N 428.605 4.869 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CC[C@H](F)C1 1749053788 LWLULDFXRRVHMN-PBQROFAYSA-N 440.563 4.947 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1ccc(OCc2ccccn2)cc1 1749054228 QBPDYHQWPDISNH-FQRUVTKNSA-N 429.568 4.806 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@H](SC)C(C)(C)C 1749077857 CVIROFSFOJYXBH-GBXCKJPGSA-N 442.629 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1749162297 MBPJYBVIMGTPMF-OAQYLSRUSA-N 441.620 4.883 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C(C)C)C1 1749392898 CUUZZQCHNAWGGS-NRFANRHFSA-N 428.602 4.650 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1C[C@H](C)C[C@@H](C)C1 1749466192 LYCFKZGPJGUIAI-AQNXPRMDSA-N 429.584 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)C 1749550529 BDDLJYDFWULHCN-UHFFFAOYSA-N 448.596 4.585 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCSC1 1749550928 LVYPJSJFDWHTIV-OAQYLSRUSA-N 447.029 4.721 30 10 IJEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1750355744 HJWJXFJCUYUEHN-HNNXBMFYSA-N 441.988 4.778 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(CC#C)CC#CC 1760130661 KSQWYTJUZBZUEX-OAQYLSRUSA-N 436.987 4.955 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccccc1CC 1760195998 CTZZTCJMPVTXTM-LJQANCHMSA-N 428.605 4.815 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)(COC)CC1 1760317688 JCNOFSZNEIKPAO-XZOQPEGZSA-N 438.616 4.742 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SCC)C1 1760351993 ONNWFZKWGFBUNL-NRFANRHFSA-N 425.602 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760414254 KQUYWDVSBKXMSX-GOSISDBHSA-N 443.586 4.994 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccsc1 1760501292 MFJDJWJZPMDARM-QHCPKHFHSA-N 428.602 4.664 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2(F)CCC2)C1 1760539552 QJHVAXNTPABXTD-SFHVURJKSA-N 436.478 4.610 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1760569445 OOXNOIKVLDGLMY-UHFFFAOYSA-N 442.629 4.968 30 10 IJEE C[C@H](CN1CCCCC1)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1761430901 BNVQXUMNDJWOAX-DVECYGJZSA-N 441.023 4.851 30 10 IJEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1cccs1)N1CCCC1 1764230255 DXXJKHNKQCSDBU-OAQYLSRUSA-N 434.613 4.779 30 10 IJEE CC[C@H]1c2ccsc2CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(O)(CC)CC 1765040459 ACZQGLXMGFHDKH-FQEVSTJZSA-N 435.597 4.943 30 10 IJEE N#Cc1cccc(Cn2c(Cc3ccccc3F)nc3sc4c(c3c2=O)CCCC4)c1 1857805190 GBTBKCVUCNFLEJ-UHFFFAOYSA-N 429.520 4.987 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858839916 WBDUHQQBRVUOIV-OAHLLOKOSA-N 449.898 4.965 30 10 IJEE N#Cc1ccc(NC(=O)c2cccc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)c2)cc1 1860860378 JTXJWZSLWVWYSD-UHFFFAOYSA-N 447.498 4.737 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 1861820783 VNYDHPMXLRDXLV-QHCPKHFHSA-N 427.564 4.819 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862385190 JPZIJQRZUPDILI-CWTRNNRKSA-N 434.319 4.515 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@H]2c2cccc(O)c2)cc1 1862412208 YZYINTXCBBZPEY-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)c1 1862459228 FNIIHQYPQAAEPW-FKIZINRSSA-N 433.426 4.879 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862476947 QUFYUEATCNPXQX-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862521360 GQHPXUJZJPENDE-DEOSSOPVSA-N 448.563 4.846 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862539259 PTESBTGKMYXLFL-LJQANCHMSA-N 434.319 4.517 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cccc(Br)c2)cc1 1862540599 RGUBCIIBQWTDLG-LJQANCHMSA-N 428.326 4.998 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(OC)c1 1862549612 SVZJAVLKOGABBH-HSZRJFAPSA-N 435.520 4.658 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1OC 1862585919 HYBGKAAUCXWCKB-LJQANCHMSA-N 448.302 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccccc1C(=O)O)c1cccc(O)c1 1862598719 YQEJSYJATMDLPJ-QFIPXVFZSA-N 449.503 4.782 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862667761 JJUJJMVIHUVFFX-XMMPIXPASA-N 430.548 4.933 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1cccn1C 1864516498 KQPZGJQQGLPEGJ-NRFANRHFSA-N 441.620 4.501 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C 1868839246 KSGRZIXQVUMURQ-XZOQPEGZSA-N 430.658 4.988 30 10 IJEE CCCCCCCCC(=O)N1CC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)C1 1869905031 KCUMLPNJQZBQEL-UHFFFAOYSA-N 436.596 4.999 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 1871377113 VORLNRLJHGASSS-YOVYXIJGSA-N 441.483 4.996 30 10 IJEE Cc1c(OCCN2CCCC2)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O 1871448963 FEPABBIMJFEFRC-ZHZULCJRSA-N 428.326 4.848 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(F)cc2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871493894 IDZJQTRVXZEQNI-UHFFFAOYSA-N 446.574 4.555 30 10 IJEE N#C[C@@H](C(=O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Cl)s2)cs1 1872789279 DBJSAKOZIBYOCV-NSHDSACASA-N 440.937 4.571 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccco2)cc1OC 1874236961 JLNHOXZJOIESQK-MFKUBSTISA-N 448.548 4.962 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(Cl)c1 1874239224 WOCDFZVIINGJCK-OEAKJJBVSA-N 428.945 4.700 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccnc2)cc1 1874290719 TVNQNPHBAGCORK-CVKSISIWSA-N 445.548 4.744 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(O)cc1 1874421283 DOOOVPWZTUBHCG-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2F)n1/N=C/c1ccc(C(C)(C)C)cc1 1874432848 AJTKTQLMTIAKLM-LGJNPRDNSA-N 439.560 4.525 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)c(OC)c1 1874448047 RHNHRHMEPTWFOZ-LSCMLXDISA-N 438.553 4.630 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2cc(C)ccc2O)o1 1874481818 PJTMBYOWCATGPN-FSJBWODESA-N 442.541 4.534 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874484334 QMYDUVQWMSCHSY-FSJBWODESA-N 439.541 4.981 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Br 1874612071 AQBYBSDFGDAUNP-SOFGYWHQSA-N 436.733 4.904 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2cccc(Cl)c2)cc1OC 1874612116 CLAIHZRTGDAXRW-ZHACJKMWSA-N 431.916 4.501 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)c1ccncc1 1875116180 OQLPIVRUVGFRNF-BJMVGYQFSA-N 444.443 4.842 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNc2cc(Br)cc(F)c2C#N)C1(C)C 1885858085 SBHSEWPJAWRMHK-BZNIZROVSA-N 426.330 4.811 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1984724337 NJAWHERIACTJID-RXFWQSSRSA-N 444.575 4.812 30 10 IJEE C#CC[C@H](C)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2020075705 SPROISFFJCSQGO-JTHBVZDNSA-N 427.633 4.574 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c1 2033306441 KGATVECCEAPSOT-DBVUQKKJSA-N 445.560 4.974 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1O)c1ccc(F)c(F)c1 2033813845 IKADGARTLQKNCX-IBGZPJMESA-N 427.428 4.510 30 10 IJEE Cc1cc(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)sc1C#CCCO 2034747004 AXGWTINJMGYCOO-UHFFFAOYSA-N 446.616 4.565 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2047967912 NIHVNFXZWHUGKD-DLBZAZTESA-N 429.786 4.540 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)c(Cl)c2)C1 2062968884 CBEAWIBEQWTQOU-UHFFFAOYSA-N 429.742 4.902 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 2089289190 NYEBIZCWLVDGIZ-IRXDYDNUSA-N 443.813 4.930 30 10 IJEE COC[C@]1(CNc2cccc(Br)c2C#N)CCCCN1C(=O)OC(C)(C)C 2162417666 HBWUEYFYXRNFQK-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE CCC[C@@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCN(C(=O)OC(C)(C)C)C1 2180955711 CQNAWXDCSZLOJT-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE C=CCC1(Nc2cc(Br)cc(F)c2N)CCN(C(=O)OC(C)(C)C)CC1 2224698394 PJWGVPRCRBGVBB-UHFFFAOYSA-N 428.346 4.928 30 10 IJEE CC1(C)OB(C2CCN(C(=O)C3CC4(CC(OCc5ccccc5)C4)C3)CC2)OC1(C)C 2231051337 AGLRGMNPNMBTFB-UHFFFAOYSA-N 439.405 4.847 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(F)(F)C[C@@H]2CC#N)cc1Br 2233994948 OQFLJPOOLGVGEK-LBPRGKRZSA-N 444.276 4.560 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235717687 BHHUDVFBFXTOSR-HKUYNNGSSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 2235734144 WBJDBTDOGRONBT-QRQLOZEOSA-N 439.369 4.516 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2262206517 OLNPSGXFFVRXCJ-UNMCSNQZSA-N 447.572 4.655 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2262207568 SXIUFQVFJNYHKJ-BWKNWUBXSA-N 447.572 4.512 30 10 IJEE CC1(C)OB(C2(C(=O)N3CC[C@]4(CCCN(Cc5ccccc5)C4)C3)CCC2)OC1(C)C 2266992796 VTYGZNMGHXLFIZ-VWLOTQADSA-N 438.421 4.518 30 10 IJEE C[C@H]1[C@@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC(C)(C)CN1Cc1ccccc1 2283020005 QTCGPDBBAWIOCP-CYFREDJKSA-N 449.448 4.669 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@@H](N)C#Cc1ccccc1Br)C2 2289352123 XMXSJSIDBZLVBQ-WHYIANOMSA-N 433.390 4.602 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CCNC(=O)OC(C)(C)C)C(C)C 2296269263 NFYCQKNIHSBQRD-PMACEKPBSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2296296994 URQXTJOTFQTRAM-XQBPLPMBSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296311618 ZCFNSVPTBPFRQJ-AZUAARDMSA-N 435.406 4.816 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2296931352 GLJLHVDEHIQVLJ-LJQANCHMSA-N 449.488 4.603 30 10 IJEE Cc1ccc(C)c(N=C2NC(=O)C(=Cc3cc4c(cc3Br)OCO4)S2)c1 2313514022 MFLBGTVOLKZUJE-UHFFFAOYSA-N 431.311 4.686 30 10 IJEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2F)n[nH]1 2313602131 PDYCEVZPOODFQK-UHFFFAOYSA-N 444.923 4.829 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1c(F)cccc1Cl 2320959098 XFHIZAVDNFVEJV-UHFFFAOYSA-N 445.951 4.863 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cc(Cl)cc4c1OCOC4)O3)CN(C(C)C)CO2 2322070082 QJSXLXIVUVNWBZ-UHFFFAOYSA-N 427.884 4.691 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CCCOc2ccccc2C)ccc1OC(C)C 2322170834 IZCTVUAWSSHOPW-UHFFFAOYSA-N 440.569 4.565 30 10 IJEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)cc1 2322193409 LXQZFYYDRQPGCI-UHFFFAOYSA-N 432.545 4.825 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccccc1)C3=O)CN(C[C@@H]1COc3ccccc3O1)CO2 2322436878 XGARVXRHUGSMFI-HXUWFJFHSA-N 441.483 4.603 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2C)C1=O 2323395687 VYJGKHNZOKCUQK-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1ccccc1Cl 2323400504 QIKXKIYVWFIINM-RBBKRZOGSA-N 435.008 4.572 30 10 IJEE O=C(Oc1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1)c1cccs1 2323510712 GXEVQFQSXROWIS-UHFFFAOYSA-N 434.546 4.515 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(OCC)cc2OCC)cc1OC 2324498602 RZHKTGZKZBZMAT-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C=Cc3ccc(C(C)C)cc3)sc2c1 2325141052 LGRGBITXPCPNHF-UHFFFAOYSA-N 441.578 4.536 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccncc1 2326014984 LDUQGDHLBIQAMK-UHFFFAOYSA-N 427.961 4.889 30 10 IJEE COc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccc(C#N)cc2)cc1Cl 2326660883 HRNSVVDLFMUNEJ-UHFFFAOYSA-N 432.336 4.948 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(C(=O)OC)cc1 2326900955 QJFLAWTZBOCEHR-UHFFFAOYSA-N 438.597 4.818 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 2330640008 ILVGQBRLUWPIIN-UHFFFAOYSA-N 434.242 4.577 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccncc2)cc1 2330643048 JSELADXOIIDKKG-UHFFFAOYSA-N 442.548 4.516 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2F)o1 2330835266 NTXAASKYVKUOBQ-UHFFFAOYSA-N 444.532 4.950 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccc3OC)c(OC)c2)cc1 2330954916 SERSERWILGIHMZ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1cc(C)ccc1O 2331611954 HPHZJAGVOAZHIT-UHFFFAOYSA-N 437.352 4.920 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccc(Cl)c1 2331706209 LVVDKUXALUAOQL-UHFFFAOYSA-N 438.944 4.878 30 10 IJEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1 2332197295 OSSNQTVPSSUBQR-UHFFFAOYSA-N 449.514 4.987 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(OC2CC2)c1 2337536191 ASOHZHRWSCIPOZ-QZTJIDSGSA-N 425.367 4.720 30 10 IJEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCN(Cc2ccccc2)CC1 2339578692 KPHCIZTXRUSKIY-DTQAZKPQSA-N 433.405 4.827 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578978 OQYCTPPLGSQZAO-FEFOKTNTSA-N 444.381 4.608 30 10 IJEE C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1ccccc1 13848476 LQNKXPCXGYIPBU-UHFFFAOYSA-N 428.945 4.736 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(O)c3)oc12 33522376 XLHRQGFUTPGXKU-OAQYLSRUSA-N 445.427 4.519 30 10 IJEE C=CCN(CC=C)C(=O)Cn1c(CCCCCNC(=O)C(CC)CC)nc2ccccc21 40211684 CFHUMPDETNUELH-UHFFFAOYSA-N 438.616 4.502 30 10 IJEE Cc1[nH]nc(NC(=O)/C=C\c2ccc(OCC#N)cc2)c1-c1cccc(Br)c1 96055558 CPDSMZDVSDKGIU-YFHOEESVSA-N 437.297 4.702 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1C 100221806 OXXLJUPUEIONCC-HSZRJFAPSA-N 444.616 4.790 30 10 IJEE CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)S/C1=N/c1ccc(C(=O)O)cc1 103771131 DQRXPUILNMMPHE-PHTAUWDTSA-N 448.456 4.577 30 10 IJEE CN/C(=N\c1ccc(C)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1=O 105535143 CEYXSOGUESKNMR-QGZVFWFLSA-N 436.364 4.882 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccs2)cc1 169988759 IREKEKVLVSVDOQ-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1ccncc1)c1cc2ccccc2o1 170022714 JHIVULOBGWFFJK-NRFANRHFSA-N 446.846 4.970 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(O)c(Cl)c1 170220171 VPWJNETWORAZOW-SFHVURJKSA-N 436.291 4.696 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 170222414 NECIHLMXECHCLH-LJQANCHMSA-N 434.319 4.997 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccccc2)c1 170223983 VMPVLMXVMPQTNF-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCN(C)C)cc1 170267142 QYGNUCUODWXVMY-RUZDIDTESA-N 446.591 4.658 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccco1 170280770 MHFBYQWGEPBHGH-NRFANRHFSA-N 425.525 4.889 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccco1 170282043 GMUUHMUGBXDYLY-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C[C@H]2CCCO2)o1 170306834 UTPGKKBFCOXGPA-FOIQADDNSA-N 441.867 4.745 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2sccc2C)c1 170314157 YHXLAINNVXCKDA-OAQYLSRUSA-N 447.512 4.919 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1sccc1C 170319286 LVARWSYIAFHBJM-IBGZPJMESA-N 429.538 4.842 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 170361852 ZWZFIIHWSXFWLM-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1ccc(C2=NN(C)C(=N)C2=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 254865156 WQDPRXQCCGHKOQ-UHFFFAOYSA-N 443.351 4.828 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](C#N)c2cccc(I)c2)C1 382008503 SXQFVHHOCRPQGR-ZBFHGGJFSA-N 426.298 4.545 30 10 IJEE C=CCC[C@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1ccc(C(F)(F)F)cc1 441577245 BKRHWKJHPBWMOA-SFHVURJKSA-N 430.430 4.907 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 460557532 VMSDLSQAVJXIQD-UHFFFAOYSA-N 436.556 4.593 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H](C)Cc1ccc(O)cc1 460768418 FILNWIBHYMCHMD-YGOYIFOWSA-N 432.568 4.872 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 470230371 LUOCTGVNXUOBRB-GOSISDBHSA-N 436.377 4.549 30 10 IJEE N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 480118647 LPYRTUYMDSWGJZ-MRXNPFEDSA-N 448.958 4.996 30 10 IJEE O=C(c1c(F)ccc(Br)c1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 485487618 HRXDDEIDCUKJCR-UHFFFAOYSA-N 426.101 4.684 30 10 IJEE C=CCc1cc(CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc(OC)c1O 506804005 ISFBGDVXVYKICL-UHFFFAOYSA-N 436.474 4.997 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 508911282 HXSONMURKLDJEQ-JPYJTQIMSA-N 434.540 4.505 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2/N=C\c2ccccc2OCC(C)C)c1 526826430 QESDVHHMURPQLN-CFRMEGHHSA-N 438.553 4.582 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OCC(C)C)cc1 526828487 GDTUAOKTTBPARQ-QRVIBDJDSA-N 439.541 4.958 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Br)c(Cl)c1Cl 544453851 ULUGHZWOJZMNBK-INIZCTEOSA-N 436.133 4.956 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 548958776 IRXZKNDLQHMVTK-UHFFFAOYSA-N 446.482 4.598 30 10 IJEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc(O)c2c(-c3ccco3)csc2n1 556957056 CZIWIZQUPMMJQJ-UHFFFAOYSA-N 448.891 4.854 30 10 IJEE N=C1C=CC(=NN=C2C=CC(=NNc3ccc([N+](O)=Nc4ccc(N)cc4)cc3)C=C2)C=C1 575732317 KSNLHJFEHNRYBP-UHFFFAOYSA-O 437.487 4.923 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670197766 DUXHSCSXZAZZGS-PZJWPPBQSA-N 438.551 4.788 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN(C[C@@H]2CCCO2)C2CCCC2)c1=S 742165636 JWVUDVFWIXOITB-IBGZPJMESA-N 446.592 4.699 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCO[C@H](c2cccc(C#N)c2)C1 761758312 FQBXFBJRJZKOCO-FNZWTVRRSA-N 425.532 4.550 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/CCc3cc(C#N)cnc3C2=O)cc1OCC 788354797 DKINFNTXJFOXJG-IUXPMGMMSA-N 439.309 4.892 30 10 IJEE C=CCn1c(-c2cnccn2)nn(CN2CCC([C@H](F)c3ccccc3F)CC2)c1=S 795657784 NICOFCAESINEIB-FQEVSTJZSA-N 442.539 4.576 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cn(C)c2ccc(F)cc12 796384130 LWXWQCAVTPJRQU-CQSZACIVSA-N 425.485 4.507 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CO[C@H]4CCC[C@H](C)C4)c3)cc2C1=O 1125502485 NYRLFTRNNZZERZ-UWJYYQICSA-N 432.520 4.816 30 10 IJEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 1130952029 ANUFUBBBNFCKML-UHFFFAOYSA-N 443.894 4.683 30 10 IJEE C=CC1(CC(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1144129085 ZTVXDLOXNJYLSN-OAHLLOKOSA-N 426.479 4.566 30 10 IJEE C#CCN(c1cc(C(F)F)nc(SC)n1)[C@H]1CCOc2ccc(Br)cc21 1162523018 ARKLDLVXHDVHLI-AWEZNQCLSA-N 440.313 4.862 30 10 IJEE N#Cc1sc(NC(=O)N2CCC(c3ccc(Br)cc3)CC2)nc1Cl 1206135850 BJYYFOHAGJOCIP-UHFFFAOYSA-N 425.739 4.842 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](OCC)C23CCCCC3)cc1 1214912343 RSGUKDBEIHRHLB-FGZHOGPDSA-N 425.573 4.750 30 10 IJEE N#Cc1ccsc1NC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 1219354273 BISAEVJVOPCPAM-UHFFFAOYSA-N 436.722 4.924 30 10 IJEE Cc1ccc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(OCCC(C)C)c1 1223343663 HUWOPBDPWGZQHP-UHFFFAOYSA-N 448.611 4.709 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)c1ccccc1 1230489191 LUXNIOBJELMWBR-SANMLTNESA-N 443.522 4.611 30 10 IJEE C=CCOc1ccc(COC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 1268819814 AWLZLCRYGJJFBF-UHFFFAOYSA-N 429.472 4.524 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(C)=C(Br)C1 1286319902 YTHGWCOVHMCNIW-UHFFFAOYSA-N 429.362 4.636 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCc1ccc(Cl)s1 1286362719 HEEPDVZUAUBJHZ-UHFFFAOYSA-N 435.778 4.735 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C(C)C)N1CCCC1 1286454366 IVJAGITXBBXTGM-QHCPKHFHSA-N 449.574 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1286522926 QHDBVXGSYLWZGP-CAKYRVLISA-N 433.644 4.769 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1286539976 HIYXSXFGJZXUFH-MRXNPFEDSA-N 439.398 4.639 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1286558850 RFWUYYWGEXEXPK-DPLHUUCSSA-N 426.580 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(CC(C)C)C1CCCC1 1286565783 PUZKYSDXUKMFFE-URXFXBBRSA-N 440.636 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(CSC)cc1 1286579965 XFBXZEZDRJNEJJ-UHFFFAOYSA-N 427.643 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1286671103 RCNIKMFLAVVQNH-RTBURBONSA-N 448.615 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cscc1C(F)(F)F 1286717882 OKBCVHZUALXBIK-UHFFFAOYSA-N 438.475 4.713 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)c1ccc(C)cc1 1286731341 INDOEYUZRQUONB-SESVDKBCSA-N 439.604 4.783 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nccs1 1286744512 ICBBRYYPHWRTTJ-QFBILLFUSA-N 427.549 4.722 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H]1C(C)C 1286748281 UTJIZPJIAMGNNP-REWPJTCUSA-N 437.563 4.676 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1nnc(C)s1 1286748688 ZAQMVJXNLQLHQO-UHFFFAOYSA-N 426.546 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286756590 ZXLMCEQOSFNWSB-JTSKRJEESA-N 449.382 4.768 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccc(C(C)C)cc2)CC1 1296045905 RXWLICCABCHQEG-HSZRJFAPSA-N 426.601 4.898 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(SC)CCC1 1300275539 WAGYQENURCVCHA-ROUUACIJSA-N 428.602 4.560 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1300391711 DLABDBRLOFEQLH-SFHVURJKSA-N 441.004 4.864 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1300767980 IOBUUAJZRRIDFZ-UHFFFAOYSA-N 437.657 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(F)F 1300880696 KCAHOAUQFXTHIV-IERDGZPVSA-N 429.515 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCS1 1300912636 HMMQZEMASKLWPS-RTBURBONSA-N 449.665 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CCc1nc2c(s1)CCCC2 1300918705 FZYCTTBQLQCSLM-UHFFFAOYSA-N 427.643 4.911 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CCNC(=O)OC(C)(C)C 1300925241 RQBGJACLVYWBKR-UHFFFAOYSA-N 445.633 4.806 30 10 IJEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](SCC)C1)c1ccccc1 1301010067 SDTKWNIKAPCOIC-FGZHOGPDSA-N 426.630 4.998 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301027144 JIPUAPIEKVGHHV-NUEKZKHPSA-N 427.763 4.723 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1nc(C(F)(F)F)cs1 1301402266 KYBYGTIJDDOVLK-UHFFFAOYSA-N 425.480 4.753 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2 1301402626 OWNQNJPCAUGLIY-QFIPXVFZSA-N 438.616 4.645 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1301531411 LRQKEOFKRHTNLO-NQIIRXRSSA-N 438.597 4.547 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCSC1 1305601271 CBGJQLSMIFHIDL-AZUAARDMSA-N 427.618 4.744 30 10 IJEE C=CCOc1c(Br)cc(CNc2cnccc2-n2cc(C)cn2)cc1OCC 1308357389 UKRWAEBPTXVYFR-UHFFFAOYSA-N 443.345 4.914 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2COc3cc(OC)ccc3C2)cc1OCC 1308361010 UMBZBTXUMUPACV-QGZVFWFLSA-N 448.357 4.515 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1CN1CCC[C@H](C)C1)c1ccc(Cl)cc1F 1311499382 WCBBXURYRHFAQV-SBUREZEXSA-N 427.951 4.885 30 10 IJEE C=C[C@H](CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 1348246631 PHEXJJBUVDCYHW-LJQANCHMSA-N 426.582 4.938 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C(/C)c2cccc(OC)c2)c(C(=O)OCC)c1C 1352793439 OWZZBRVNMRWGLI-OWBHPGMISA-N 443.521 4.627 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C 1355027524 MZZFVSJXHOCECU-UHFFFAOYSA-N 430.961 4.906 30 10 IJEE C#CCCCn1c(N(C)[C@H](C)c2cc3ccccc3o2)nnc1[C@@]1(OC(C)C)CCOC1 1358935975 YVUCTGVAIGTXFG-KBMIEXCESA-N 436.556 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359096421 BKHJPLMRVJBKAT-HLIPFELVSA-N 440.617 4.779 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(C)C)C1 1359121912 OCLGVWPPYRZIAF-HXUWFJFHSA-N 431.625 4.841 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1359122886 DPHLUPVWYAJMLF-INIZCTEOSA-N 448.518 4.699 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CN(CC)CC)C1 1359124201 ONWWCPMTIFVZNX-NRFANRHFSA-N 439.648 4.899 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1359132173 PEEMACUDMUZROA-QHCPKHFHSA-N 433.600 4.859 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1359202678 ZTKRFHUPMZYXSP-FQEVSTJZSA-N 447.624 4.617 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@@H]1C 1359223423 KQXPVVWJTBPXKE-RDJZCZTQSA-N 433.394 4.843 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1ccnc(SC)c1 1359260178 VSSJPCSNPYXZCZ-UHFFFAOYSA-N 446.555 4.837 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCn2cc(C)nc21 1359273256 UKUKNOVVOXMGNN-HXUWFJFHSA-N 436.991 4.783 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1359273737 MDTCUXCNFAWLFU-FQEVSTJZSA-N 429.609 4.589 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359346931 ZTWSLSURCRRTEA-HSZRJFAPSA-N 448.608 4.557 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)CCO1 1359747637 FTOTUVDCFOTPHJ-BJKOFHAPSA-N 444.583 4.513 30 10 IJEE C#CCN(C(=O)COC[C@H](C)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1360556827 DWORYNSERLXAOQ-UWJYYQICSA-N 442.353 4.555 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)[C@@H](Cc1ccccc1)C(=O)OCC 1435901597 UAAZEUXIRITDAL-QHCPKHFHSA-N 448.494 4.816 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)c1ccccc1 1454298296 KUPPBBJMGFLVGF-FXAWDEMLSA-N 443.385 4.956 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(F)c(C(=O)c4ccccc4)c3)n[nH]2)c1C 1454983156 YHHNEMGVNSMOCW-UHFFFAOYSA-N 443.482 4.698 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@@H]1C 1458784860 VWJXOHIJWXGAFG-BBTUJRGHSA-N 427.614 4.910 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCc3cc(Cl)cc(Br)c32)c(OC)c1 1459945620 OLICWTPTKOEDQI-UHFFFAOYSA-N 436.733 4.808 30 10 IJEE CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)CC1 1460469612 GLOOUBNRINMHRH-DOTOQJQBSA-N 447.670 4.557 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1sc(-c2ccc(C)c(C(F)(F)F)c2)nc1C)C(=O)OC 1462161129 FCUYZRQEXUYZAS-OAHLLOKOSA-N 426.460 4.683 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 1465535182 AHWPZKQPYSXLRE-SFHVURJKSA-N 430.346 4.804 30 10 IJEE C=CC(C)(C)CCCNC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1467724822 NRMPNTNRCDNQRX-UHFFFAOYSA-N 440.554 4.509 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H]1CCO[C@@H](c2ccncc2)C1 1472934651 JMRKSFBRHDEHJM-YLJYHZDGSA-N 426.517 4.590 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC)Cc1ccccc1 1473455248 YRWCKTPEBLXQJC-UHFFFAOYSA-N 432.545 4.666 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1OC 1473941252 ZFANMZUSTHBANH-IRXDYDNUSA-N 448.966 4.956 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1474516276 HDDUGGJOJGOWQO-UHFFFAOYSA-N 432.586 4.705 30 10 IJEE C#C[C@H](NC(=O)NC(C)(C)COc1ncccc1C(F)(F)F)c1ccc(Cl)cc1F 1478901072 QBVQLJAHWQFUPI-INIZCTEOSA-N 443.828 4.724 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1499350269 AWXAKEPFSABWTR-MAUKXSAKSA-N 435.601 4.639 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC=C(C)C1 1507561876 FDDWGYJINPUMNO-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H](C)c1nccs1 1507572940 AXUMBSXXKMAPHD-SJORKVTESA-N 427.549 4.667 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC(C)(C)C1 1507596020 YXDCNGQTOTXIAO-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccnc(SC)c1 1507681540 YPOHMJPPSFNPFL-INIZCTEOSA-N 437.638 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCC[C@@H]1C 1507816584 OSWMRMZCCYHFDK-UQBPGWFLSA-N 442.604 4.694 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507824390 AIJVWUCMAQJRTF-MJUUVYJYSA-N 445.007 4.983 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCC)c(OC)c2)CC1 1507899706 QTQPDZZLGGIUEX-UHFFFAOYSA-N 435.572 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1507899912 YHZHHOUULSFGQF-UHFFFAOYSA-N 442.608 4.759 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCCS1 1508037332 WWURMJCNHXLXOO-OAQYLSRUSA-N 426.630 4.673 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C(F)(F)F)C1 1508132746 ZPRYBUDJDOAZQZ-GOSISDBHSA-N 447.505 4.651 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2OCc2ccccc2)cc1 1515985103 SBDNSJPVPIHOIH-UHFFFAOYSA-N 429.472 4.707 30 10 IJEE CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H](COC)Cc1ccccc1 1516282300 GWJZZWZMLFDPCR-RUZDIDTESA-N 428.532 4.857 30 10 IJEE C=C(C)[C@H](NC(=O)C[C@H]1C(=O)Nc2c(Br)cccc21)c1ccc(F)c(F)c1 1517412262 VTTNGLZILFJHEU-ACJLOTCBSA-N 435.268 4.587 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)cc(OC)c1OC 1521196895 HVNSLBUDCSDKEE-UHFFFAOYSA-N 434.508 4.862 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(C)c(Cl)cc2I)cc1 1521611296 CJHLNFPVUNFNOP-UHFFFAOYSA-N 440.664 4.622 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1524983373 JTEZLLDLLKWDML-ZDUSSCGKSA-N 449.732 4.659 30 10 IJEE C#CCN(C(=O)CCOc1c(C)cccc1C)[C@H]1CCOc2ccc(Br)cc21 1529627564 QIIYRVZPZWPRKZ-FQEVSTJZSA-N 442.353 4.820 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccn2)c1 1531351030 CLROLSUKJDVPAO-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccccc2CC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1534356528 CAXNIMBBZHUQSA-NRFANRHFSA-N 426.479 4.753 30 10 IJEE CC(C)(C)c1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C(F)(F)F)cc1 1534689405 GGBVRDUBERTZKT-LAUBAEHRSA-N 443.469 4.628 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1ccc(Br)cc1 1535484006 UWEKJIJYFLZIAJ-QGZVFWFLSA-N 448.242 4.758 30 10 IJEE C=CCN(C(=O)CC1CCC(C(F)(F)F)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1538618152 DIPZQCGETIOIPZ-SOAGJPPSSA-N 425.491 4.934 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1538704135 IHGMEUFHBKMGHV-UWJYYQICSA-N 448.371 4.982 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCn1ccnc1C 1538987671 VREJNXGJTOQYSL-OAHLLOKOSA-N 431.371 4.695 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1539071534 WCQJYKZADSXVCI-SFTDATJTSA-N 430.543 4.590 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1539279122 UTLHRYZILJPUFA-VQTJNVASSA-N 444.501 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(CC(C)C)C(C)C 1539637338 PKKMEACVYFCBDY-QPPBQGQZSA-N 426.605 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc2c(n1)CCCC2 1539672306 XQTDJDMLYKTRGZ-UHFFFAOYSA-N 431.584 4.602 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1539923848 IJLVOYVBKVOSFT-ZBFHGGJFSA-N 428.524 4.689 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1cccc(F)c1 1540177424 OWFDGKFRJJPCSX-VLCRHTCISA-N 442.579 4.982 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(C)C 1540179833 BELBPBZVSQKQRR-ZEQRLZLVSA-N 431.584 4.636 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CCSC(F)(F)F 1540180255 LBMMNHWPMSDXEJ-UHFFFAOYSA-N 433.503 4.828 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1541410621 HAJIFSYRDGZEFM-HMFYCAOWSA-N 445.995 4.700 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCCCC1 1541803093 CEUFSIMQBGAKMJ-GOSISDBHSA-N 444.624 4.711 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1ccc(F)c(F)c1 1585435352 MKDDMVVBUMGIJO-OPAMFIHVSA-N 448.535 4.575 30 10 IJEE C=C(C)[C@H](NC(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)c1ccc(F)c(F)c1 1585438293 ACUVZKIVASFDCY-KRWDZBQOSA-N 437.512 4.802 30 10 IJEE CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)CCc2ccc(C#N)cc2)cc1 1585931154 GFQWTEQFRFFJDD-DEOSSOPVSA-N 447.579 4.874 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1 1586026797 BIQQZGPYPCJXOG-SSEXGKCCSA-N 437.418 4.884 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCCC[C@H]3CC(=O)c3ccccc3)C2)c(F)c1 1587483735 HJMHIPYMJUFEAP-YADHBBJMSA-N 433.527 4.568 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1587745846 ADBVGUDCCZTEPY-FCHUYYIVSA-N 437.607 4.979 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nnc(/C=C/c3ccco3)s2)CCCN1C(=O)OC(C)(C)C 1587926558 ZANZXCFRUCVARO-GLCJEOIMSA-N 430.530 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN1CC 1589150593 HLURZCXLCQJYTK-VAXXYWNWSA-N 442.007 4.548 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCOC)CC(C)C 1589514211 DUMHDZSRHWSDRG-WIYYLYMNSA-N 432.996 4.689 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(C)ccc1F 1589529205 MCSLMPGKZAINAD-WMZHIEFXSA-N 435.547 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccccc1F 1589530648 XQZUMKPMCNGSFH-OFNKIYASSA-N 435.547 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCCCC1 1589569623 PQGKUROPTZXNFK-RDGATRHJSA-N 449.599 4.726 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cccc(OC)c2)C1(C)C 1593639738 ZKCSKTHRZHFDKZ-OALUTQOASA-N 436.980 4.826 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1593889181 CIIHBKSJLHDCGC-UHFFFAOYSA-N 427.902 4.575 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 1594181106 IQEZIRBINQPTCW-FQEVSTJZSA-N 435.616 4.868 30 10 IJEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[C@@H](OCC)C(C)C)CC1 1594241331 NAWKBAFPCCUYOO-NFBKMPQASA-N 440.588 4.644 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnn(C)c1C 1594454578 GNHHQPANISTIJL-GOSISDBHSA-N 440.567 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC[C@@H]1C 1594473588 VNWUZBAEQQOGOY-SFHVURJKSA-N 428.577 4.568 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)c1ccccc1 1594552143 IBCIPVCNHVUXGB-BJKOFHAPSA-N 448.615 4.829 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1594727610 RRTIXKVSGWFHJM-GOSISDBHSA-N 429.996 4.873 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C)CC1 1594824697 OZDRODFCWSWFEF-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC12CCC(CC1)C2 1595234328 PCZGFGAASGUCNN-IFKGAMTLSA-N 441.620 4.808 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCCS2)C1 1595744554 MPIWBOYDQQGPPA-VXKWHMMOSA-N 442.629 4.541 30 10 IJEE C#CCN(C(=O)c1cccc(C)c1I)[C@H]1CCCc2ccccc21 1611223418 PRNBIDVMZIPXAR-IBGZPJMESA-N 429.301 4.753 30 10 IJEE C=CCn1c(SCc2ccn(-c3cccc(F)c3)n2)nc2cc(Cl)ccc2c1=O 1613135806 ARDOHRFTBWYCBW-UHFFFAOYSA-N 426.904 4.853 30 10 IJEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(C)C)C2)cs1 1613871032 DJPHWYSOSBRNLV-HXUWFJFHSA-N 434.613 4.951 30 10 IJEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C)C[C@H]1C 1617376637 DEWYRGQKCBXNAA-XMODTWTHSA-N 434.536 4.576 30 10 IJEE N#CCc1ccccc1S(=O)(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 1622211660 CMFYICZBHBBUHP-JOCHJYFZSA-N 440.952 4.642 30 10 IJEE N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1Cl 1626605082 FKUDBSWJFRNGGG-GOSISDBHSA-N 431.879 4.539 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccc(OC)cc3)cc2n1 1635708726 ZBCPMQTVCFKZCM-UHFFFAOYSA-N 444.466 4.875 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccnc(Cl)c1I 1640053043 DNCHRDXLBUTFQH-UHFFFAOYSA-N 426.685 4.558 30 10 IJEE C[C@H]1CN(c2ccnc(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)c2)C[C@@H](C)O1 1640748612 BLKQHURKKDSJFC-HDICACEKSA-N 444.560 4.970 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 1641675303 IZUXAXLFQXWDGF-ZDUSSCGKSA-N 436.281 4.512 30 10 IJEE N#Cc1cccc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c1 1643361363 HRXQJMDDEFUBGL-UHFFFAOYSA-N 445.931 4.945 30 10 IJEE CC1(C)CN(Cc2ccccc2)C(C)(C)CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 1643987716 GJRXVGWDDQHBJR-UHFFFAOYSA-N 439.003 4.915 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](O)c1ccc(Cl)cc1Cl 1649735389 XVIKSBUGGJUSDE-KRWDZBQOSA-N 429.141 4.591 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1)C(=O)OC 1651594016 MYUGBHNWGHNGMN-GOSISDBHSA-N 429.929 4.806 30 10 IJEE C#Cc1ccc(CNc2cccc(C(=O)OC[C@H]3CCCN3C(=O)OC(C)(C)C)c2)cc1 1652074769 GRQFHDHJQKIEHR-HSZRJFAPSA-N 434.536 4.836 30 10 IJEE C#CCN(Cc1ccnc(Br)c1)[C@H]1CCOc2ccc(Br)cc21 1653388498 KMQPKAWUOXWMSZ-INIZCTEOSA-N 436.147 4.566 30 10 IJEE C#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)c2cccc(NC(C)=O)c2)cc1 1653395210 DNCAFQHDRMZSNO-LJQANCHMSA-N 432.545 4.578 30 10 IJEE C=C(Cl)CNCc1ccc(OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OCC)c1 1657275106 BMFKZACPJVEYPL-DVECYGJZSA-N 435.008 4.733 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CCCCC2)c1 1657573779 CZBPLGMHJRTWLE-UHFFFAOYSA-N 443.469 4.784 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(OC)c(NC(=O)Nc3ccccc3OC)c2)c1 1658564347 XTPYOHLWSMCICR-UHFFFAOYSA-N 444.491 4.651 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(Cl)c1 1661965438 GTFYYDDSQSSWFQ-AWEZNQCLSA-N 445.755 4.751 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1)c1ccc(Cl)cc1 1662829246 CKBGAQWAVHMXHF-HXUWFJFHSA-N 425.916 4.613 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)c(F)c1 1671852223 TWKIBCWPJOMBDF-ZJSXRUAMSA-N 443.494 4.682 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC2(c3ccccc3Br)CCC2)cc1 1673643950 QKKYUBQFAPWOSX-UHFFFAOYSA-N 428.330 4.566 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)C1)c1ccc(Br)cc1 1674031089 PBXNVGGVSXHAKO-OFNKIYASSA-N 437.337 4.773 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C(C)C 1675965086 YFSMXXSKHLMSKL-IRXDYDNUSA-N 444.567 4.750 30 10 IJEE Cc1ccc([C@@H](CC(F)(F)F)NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1679849520 BLLQRNULRLPVSW-HXUWFJFHSA-N 430.474 4.828 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 1680961256 HZIANJIMOPDJRA-XLIONFOSSA-N 445.523 4.715 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)cc1 1682563941 BOKPWZOALAFXOW-UHFFFAOYSA-N 427.342 4.583 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2ccncc2)CC1 1690368825 NNRWVTOTVPCXFB-UHFFFAOYSA-N 433.556 4.535 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2CCCCn2cc(Br)cn2)CC1 1690369535 NUIZMDSQEFTPTP-UHFFFAOYSA-N 441.377 4.541 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](CC)N2CCCC2)CC1 1690396715 KGTKBBDNNSMIOV-UGKGYDQZSA-N 441.595 4.834 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1Cc1c(C)noc1C)C1CC1 1690540770 AWPMHPBZOROXMN-UHFFFAOYSA-N 446.324 4.655 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCN1CC 1690576062 LRZQPCMLGHUXPM-JOCHJYFZSA-N 446.624 4.945 30 10 IJEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCCC2)C1)C(C)C 1697190766 BRQRDRVDPASYDY-JOCHJYFZSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(Cl)nc1 1705502661 ICCYYCTZCFENBW-SFHVURJKSA-N 437.975 4.844 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1705512572 HQDGXGJCQUESJR-VWLOTQADSA-N 435.572 4.676 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)C1 1705680756 GXPNNIHMVOGYRI-LBPRGKRZSA-N 447.711 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1 1705696713 IGTMNAJJDVNTPZ-FPOVZHCZSA-N 425.964 4.710 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1705763723 BZVHZAKJSFUEHL-SJORKVTESA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCS[C@@H](CC)C1 1705786554 RJDYKEAWAHICEU-HNNXBMFYSA-N 438.439 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCC[C@H](SC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705802304 HGBYHNDQQRMNPM-WMZHIEFXSA-N 436.666 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](OCc3cccc(OC)c3)C2)nnc1C(C)(C)C 1705802875 YDWQGBFBWALDBM-NRFANRHFSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1cn2ccsc2n1 1705856232 LCZYJPPJYFLRCZ-UHFFFAOYSA-N 436.585 4.534 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CC)C1CC1 1705858718 SZNKRKRDUDAKOW-FQEVSTJZSA-N 429.996 4.540 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1705890491 SHRWQJQVYOBJOX-RTBURBONSA-N 449.665 4.689 30 10 IJEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1709068351 FNHZKNHTSPGOIA-UPVQGACJSA-N 433.600 4.847 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2[C@@H]1C 1722325369 IFIDGNVGMGBGCC-INIZCTEOSA-N 438.373 4.583 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC[C@@H](OCC)C1CCCC1 1722408710 POGKRCNAWQWGNE-XMMPIXPASA-N 431.584 4.938 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1Cc2ccc(Br)cc2C1 1722482458 AVKQKSAQYNNTBT-UHFFFAOYSA-N 438.167 4.737 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cc(C)on1 1722494522 CNTHIIFAZRQSAN-MGPUTAFESA-N 445.926 4.652 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722520971 VZPBUJZQQOMQCI-CQSZACIVSA-N 447.406 4.593 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(Cl)cc2C1 1722528203 GXTBKKYNTLSUKF-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)OCC)CC1 1722561476 RDNJQWRVLSKQRS-UHFFFAOYSA-N 433.394 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1722575311 FGACWRYFSSSVRF-LJQANCHMSA-N 443.039 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cnn(C)c1C 1722587582 UCFMAZWLAJJFPX-UHFFFAOYSA-N 429.572 4.774 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC2(CCOCC2)C1 1722609364 WLFAUXWXNDWXQO-HXUWFJFHSA-N 440.588 4.790 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1722620837 VDYDHQRTDARBBV-UHFFFAOYSA-N 437.632 4.567 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1ccnc(SC)c1 1722676994 QDCINRNAMWGESG-HXUWFJFHSA-N 439.585 4.513 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722732810 PNGBHWZPTMRJNM-YYWHXJBOSA-N 446.592 4.624 30 10 IJEE C=CCSCCn1c(N2CCc3c(ncn3-c3ccc(C)cc3)C2)nnc1C(C)(C)C 1722738860 AVSQSYHKNULHBB-UHFFFAOYSA-N 436.629 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740541257 VVDYCYULHKUTOD-MXEMCNAFSA-N 448.567 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740543493 QDIQVUHVYVSTDC-JXHRLWIKSA-N 431.584 4.793 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1740752058 RZPJPOAEFHPUTN-HUVFLSCGSA-N 448.615 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1740777308 UMLSNAHJQDQEAD-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCSC)c1ccccc1 1740797663 SFERNGIECDJHMH-UHFFFAOYSA-N 446.418 4.938 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2CCCCn2cc(Br)cn2)CC1 1740823629 ISMZHHMWNFIJOW-UHFFFAOYSA-N 433.398 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC=C(C)C)CC1 1740837693 QPRUETHEICKNNX-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCCCC1 1740848365 IYOKKQSCDICRSS-UHFFFAOYSA-N 437.636 4.823 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cnc(C)s1 1740893993 FXHGQTKSUBDQCT-UHFFFAOYSA-N 438.782 4.796 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@](C)(O)C1CCCCC1 1740918437 JYJCLKHKVGIGDS-AREMUKBSSA-N 431.584 4.864 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)c1cccc(F)c1 1740936485 WFVKOQUHWXEDHG-UHFFFAOYSA-N 448.546 4.624 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[C@@H]2CC)C1 1740978162 PCPATSBOZPXYHU-IRFCIJBXSA-N 440.588 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1748642354 NRNRAOCOWRSUOO-DOTOQJQBSA-N 447.530 4.996 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1C1CC1 1748643008 SNCWUBAXMJRVFB-WAOWUJCRSA-N 442.007 4.546 30 10 IJEE C#CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)Cc1cnccn1 1748739731 JKWBXMUBNSLLJF-UHFFFAOYSA-N 432.528 4.653 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)CN1CCCCC1 1748918166 WIUIFYPFIKEOJN-KRWDZBQOSA-N 434.415 4.833 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccccc2CC1 1749089728 DRJSVVIKQNNXTA-UHFFFAOYSA-N 444.764 4.507 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCC(C(F)(F)F)CC1 1749107384 VOVTZRAHHMXQHV-UHFFFAOYSA-N 435.313 4.618 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CCCCC2)C1 1749176014 WSQJBGHJVIJCLX-UHFFFAOYSA-N 426.561 4.708 30 10 IJEE C=C(C)COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H](C)C#N 1749213583 OAKAJKXPXXXVNY-QGZVFWFLSA-N 436.585 4.566 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749357078 IPMKXRVGFVNTOD-GOSISDBHSA-N 442.970 4.516 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1749366736 KQSGPSXXPLAXSU-UXHICEINSA-N 445.652 4.501 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(N(C)C)CCCCC1 1749473672 NPJBFAGLYVNWPK-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1749474534 XYYLLBIMVQKVGN-FQEVSTJZSA-N 439.604 4.777 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CCSC(F)(F)F 1749529910 OWWJQXCUVUNILK-QGZVFWFLSA-N 442.507 4.584 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)CCC1CCOCC1 1749690313 QACUOUFTYYLKKQ-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)N(C)C)c1 1751745582 HLSJYBBVXYVDJZ-OAQYLSRUSA-N 436.629 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)[C@H](C)C1 1760321007 AINIQWUJSYEROM-JFNLIGNMSA-N 430.543 4.611 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CC1(O)CCCCC1 1760477802 LDJURTXPCXSJRR-UHFFFAOYSA-N 436.556 4.743 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CC1(COC)CCCCC1 1760481000 KTOAWEGWYFMVQR-UHFFFAOYSA-N 432.572 4.525 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](OCC2CC2)C1 1760533999 YGIJSDQEZKBARS-JOCHJYFZSA-N 438.616 4.875 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](CC=C)c2ccccc2)C1 1760544748 GQVDBGFYLFLFSZ-XZOQPEGZSA-N 429.568 4.790 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC(F)F 1760561488 BTVQZTLBFUDCOB-UHFFFAOYSA-N 449.340 4.857 30 10 IJEE CCc1cnc(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1764590278 CHNIBGNPXKJIEX-XMMPIXPASA-N 434.613 4.651 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(Cc2ccco2)C(C)C)C1 1766078586 FQQDBWRKOJRXKU-NRFANRHFSA-N 432.572 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCO[C@H]1C(C)C 1772522778 KTTGEQFGIQGZDG-NIJIEXERSA-N 430.955 4.791 30 10 IJEE O=C(/C=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccco2)c1 1772728230 XVLCBNKWYBRBLR-KTKRTIGZSA-N 428.404 4.726 30 10 IJEE CCc1nc2ccccc2c(C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)c1C 1859649316 KPSRJWPHPWONJU-UHFFFAOYSA-N 432.487 4.964 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)NCc2ccccc2Cl)ccc1OCc1ccccc1 1860734534 FBTASCTWLSKKDZ-ACCUITESSA-N 435.907 4.826 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1ccc(Cl)cc1 1861104610 ZZFLHVNZHPZIGG-XEGGGDOUSA-N 435.008 4.572 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc2ccccc12 1862420196 FGBKMYWKFQNMOV-JOCHJYFZSA-N 437.442 4.733 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2c(F)cccc2Cl)cc1 1862480715 MREQSARCBCNZQW-YWZLYKJASA-N 429.875 4.545 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2cccc(Cl)c2)c1 1862490874 FXFPXOCOTHKRMZ-NRFANRHFSA-N 435.911 4.501 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1 1862527223 SEKURTNLWACOJK-QGZVFWFLSA-N 432.701 4.867 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862674488 YNGGKMIUXSBZAM-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1Br 1862681295 XCRLBASXAZOIQT-KZULUSFZSA-N 432.289 4.965 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)cc1 1863173395 QMDMHNAXVSITKE-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863452175 AQEWCVHCVYUICT-UHFFFAOYSA-N 437.927 4.610 30 10 IJEE N#Cc1ccc(COc2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)cc1 1865819775 UCSBLYQUABQTHF-UHFFFAOYSA-N 436.389 4.952 30 10 IJEE CCCCc1ccc2[nH]c(C(=O)Nc3sc(C(=O)OCC)c(C)c3C#N)cc(=O)c2c1 1866516674 KVEJWOUBOLFSGJ-UHFFFAOYSA-N 437.521 4.541 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1ccc(C#N)cc1 1866650351 LSZDDONHBRSTSA-QFIPXVFZSA-N 444.535 4.686 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1 1868883751 XKLDCDGTHSPPRJ-HXUWFJFHSA-N 434.580 4.735 30 10 IJEE CCCCCCCOc1cn(CCCN(CC)CC)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870411807 NSLBGFCDUPELLE-GOTSBHOMSA-N 449.680 4.539 30 10 IJEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CNc2cccc(F)c2)cc1=O 1870812811 JWBHVYGOJRIZAO-QFIPXVFZSA-N 428.891 4.551 30 10 IJEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(OC)c(Cl)c1 1871046194 TXBIECCOLFSFII-UHFFFAOYSA-N 440.927 4.766 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CO2 1871359310 JRWRYWOBBIZXPV-IXIHBQDJSA-N 443.543 4.847 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)c1OC 1871364197 KZIRKRVPSNPSDZ-XKZIYDEJSA-N 446.455 4.613 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4F)ccc3C2=O)o1 1871443006 JLGJOPPJZXYGKT-NVMNQCDNSA-N 429.350 4.639 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545557 PIXSITBYYWVABT-KDURUIRLSA-N 428.600 4.853 30 10 IJEE CCCCCCCCCCN=c1nc(N2CCCCC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871716722 CNJKRCZBYVCKCG-UHFFFAOYSA-N 426.609 4.708 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871749754 JFPTUJVCJJKAAQ-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872166040 IZJYSQMRIYIKCA-NFBKMPQASA-N 449.661 4.648 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NS(=O)(=O)c1cc(Cl)ccc1OC 1872613785 VISVUZINNACPKY-UHFFFAOYSA-N 447.041 4.662 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(C2CCN(C)CC2)C1=O 1873143463 NTNXJLWEJBMVCZ-UHFFFAOYSA-N 439.644 4.899 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873245432 ILNYUHAZUKZRNV-ZUOKHONESA-N 439.437 4.746 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCCCOCC)ncnc21 1873605051 HAOKMVPHWHHAGY-UHFFFAOYSA-N 427.936 4.670 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1sccc1C 1874211825 WOCSCMVQYLJMKR-XNQWGTPPSA-N 439.610 4.548 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874212669 YZCKQCJRXNLWGK-HZHRSRAPSA-N 429.977 4.613 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2/N=C/c2cccc(F)c2)nc2ccccc12 1874456363 NIYYJKXPDQDPCH-DHRITJCHSA-N 448.527 4.898 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2F)c1 1874483730 JZQKJFPZLRPOTE-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CCCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2ccccc2F)cc1 1874534398 GZPAOXLHEWJQCS-AFUMVMLFSA-N 441.532 4.599 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2CC(C)C)ccc1OCc1ccccc1F 1874559400 PQZXAEAGODFYIJ-ZMOGYAJESA-N 428.533 4.764 30 10 IJEE O=C(Oc1ccc(/C=N/n2c(S)nnc2Cc2ccc(Cl)cc2)cc1)c1ccccc1 1874564904 XHKRONWRJRREAY-MFKUBSTISA-N 448.935 4.912 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2cccc(Cl)c2)c1OCCCO 1874577635 YJJAGGHWFUIQKA-VOTSOKGWSA-N 425.706 4.768 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c(C)c1 1874596965 NDVBBEDPJBYPBP-JXMROGBWSA-N 443.499 4.988 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(OC)cc1 1875151352 HUNMIVJJEKBYCO-NYYWCZLTSA-N 446.455 4.938 30 10 IJEE Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccc(C5(C#N)CC5)cc4)CC3)nc12 1891328400 LRBDADKOFMFWPZ-UHFFFAOYSA-N 436.968 4.776 30 10 IJEE COc1ccc2c(Cl)c(C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)sc2c1 1891363138 AABJFKYFSSMWEM-UHFFFAOYSA-N 441.940 4.761 30 10 IJEE COc1c(F)c(F)c(C(=O)N2CC[C@H](Cc3ccc(C(F)(F)F)cc3)C2)c(F)c1F 1891970895 WABJVSIAYPRPFL-LLVKDONJSA-N 435.339 4.975 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C[C@]2(CCCO2)C1 1924224477 XDQSOKDXQXZAMW-DNQXCXABSA-N 449.592 4.618 30 10 IJEE Cc1cc([C@@]2(C(=O)O)C[C@@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C#N 1952773286 UZIOEIIGCGBMGY-IGKIAQTJSA-N 438.483 4.500 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)c1ccc(OCCNC(=O)OC(C)(C)C)cc1 2012024971 BATVFEJSIYHHJQ-QHCPKHFHSA-N 426.557 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2020786200 ZCOOXZPHPLNDAX-SJORKVTESA-N 437.487 4.965 30 10 IJEE COc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)c(C)c1 2079873480 PJDMYHZMMUIYQP-GOSISDBHSA-N 447.320 4.943 30 10 IJEE CCOc1ccc([C@H](n2nc(CC)c(C#N)c2I)C2(C)CC2)cc1 2080079900 NATHDKKKMVZBID-KRWDZBQOSA-N 435.309 4.710 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 2124402158 XBTIOEAXHJDWEP-QGZVFWFLSA-N 429.399 4.631 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2124520214 SEPSZFMETUIJAF-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE N#Cc1cc(Cl)ccc1N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2162288427 RVZWBBQFYQHTKM-FQEVSTJZSA-N 425.916 4.584 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(c3ccc(C#N)c(Br)c3F)CC[C@H]2C1 2174809805 DUUZFZCFRKNKQS-GJZGRUSLSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC1CC1)c1ccc(C#N)cc1Br 2174813460 WPNZWALIGWLKMX-QGZVFWFLSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1C#N)c1ccccc1 2181137124 ZELZDZYDZVLWIL-QGZVFWFLSA-N 430.302 4.525 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CC(=O)Nc1ccc(Br)cc1C#N)C1CCC1 2186782633 HVKCZLHLBZLPJP-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CCC12CC2 2211197148 OLFQZPOISTUTBB-IBGZPJMESA-N 433.471 4.612 30 10 IJEE N#Cc1cccc(CNc2ccc(Br)cc2I)c1F 2231677020 XQHHQERJNVIEJL-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE Cc1cnc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241477489 MOUUBPLGHWQWGE-UHFFFAOYSA-N 442.368 4.532 30 10 IJEE Cc1cc(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)ccc1NC(=O)OC(C)(C)C 2268995340 BYQZPSFEODAWAW-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE C=CCCC1(C(=O)N[C@@H](C)c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 2281015358 VKUTXILNSHOZIG-HNNXBMFYSA-N 437.378 4.830 30 10 IJEE C=C(COCCC)[C@@H](OCCCN)c1scc(Br)c1Br 2293430343 AYMXSTHHSRRXOO-CYBMUJFWSA-N 427.202 4.662 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3cccs3)c(OCC)c2)SC1=S 2294741838 HLLVGJHZZZKKBU-UHFFFAOYSA-N 431.560 4.753 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@@H](O)C#Cc1cccc(Br)c1 2296220967 DNOOFFHNVHDRSD-PMACEKPBSA-N 436.390 4.883 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(C)c(I)c1 2296284534 RQDMPGSHKMBKBE-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2296867418 NWNOWPBQIFIMFN-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(C=CC(=O)c3ccccc3)cc2)c1 2297298447 BZVRJQJGTUBRPH-UHFFFAOYSA-N 441.487 4.752 30 10 IJEE C=CCN=CC1=C(Sc2ccccc2)C2=C(CC1)[C@H](C(=O)OCC)[C@H](NC(C)=O)S2 2297499051 YHDZICAALBNHPU-SIKLNZKXSA-N 442.606 4.726 30 10 IJEE CC1(C)C(=O)O[C@@H](C(=NNc2ccccc2)c2ccc(Br)cc2)C(C)(C)C1=O 2297672516 XEEFBLGKLADXEK-SFHVURJKSA-N 443.341 4.812 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2c(F)cccc2Cl)nnc1C1CC1 2320917872 DVUCCNVMSGRYOS-UHFFFAOYSA-N 430.892 4.821 30 10 IJEE CC(C)[C@@H]1C[C@](N)(C#Cc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321373644 DHRFJCXFBQSCDS-JTHBVZDNSA-N 441.369 4.565 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(Cc1ccccn1)CO2 2321968422 GOPOAJURQHVZBB-UHFFFAOYSA-N 437.499 4.850 30 10 IJEE CCCCCCOc1ccccc1C(=O)C=NNS(=O)(=O)c1ccc(OC(C)C)cc1 2323413161 YXMOMOFWAGFKSH-UHFFFAOYSA-N 446.569 4.580 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 2323648618 YZYMPEPOHPOWPU-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)cc(C)c3C2=O)c1 2323680340 AAUBFFZWPOPFHL-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccnc2)C3=O)c(OCC)c1 2323780545 AWOOFEVIEGREJF-UHFFFAOYSA-N 431.444 4.714 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc(C)c3C2=O)cc1 2324969626 WARGRJQDWKITJJ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2325575204 KLUNEUPPKUWERR-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2327674383 PJBIZWDBQIWONJ-UHFFFAOYSA-N 444.944 4.666 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2328386555 RBOWYILWKFVGDP-UHFFFAOYSA-N 446.532 4.746 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2328904079 NTRIRRWIGYNJPA-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE CCSc1nnc(Cc2ccccc2F)n1N=Cc1cc(Br)ccc1F 2329727735 LYIPNGUJSBIPHA-UHFFFAOYSA-N 437.313 4.904 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccc(O)c2)c1C 2331364599 OVLPPLURPVYMMG-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)OCC(C)C)nnc1C(C)(C)C 2331410934 TVHGXRWUWHDPHB-UHFFFAOYSA-N 432.590 4.538 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)C)n1N=Cc1c(Cl)cccc1Cl 2331470132 LQNWNNWMZBUQJI-UHFFFAOYSA-N 443.400 4.957 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(COC)nnc2SCc2ccccc2F)cc1 2331575175 PZDNUWDLIODENA-UHFFFAOYSA-N 427.549 4.584 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(OC2CC2)c1 2337536190 ASOHZHRWSCIPOZ-MSOLQXFVSA-N 425.367 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@@H](O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2360196672 VHDHONWXYRQHBJ-JLEJFLCFSA-N 434.374 4.635 30 10 IJEE CC1(C)C[C@@](Nc2ccc(C#N)cc2Br)(C(=O)O)[C@@H]1OCc1ccccc1 2378747844 IQLVUMFIAHNJIF-NQIIRXRSSA-N 429.314 4.571 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCC(C)C)c(Br)c1 14652439 BLHIWOAFRUUANE-UHFFFAOYSA-N 431.330 4.652 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccccc2)n1)Nc1cc(Cl)ccc1Cl 21036786 VPTMKBQJLPDDMC-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE O=C(/C=C\c1ccccc1Br)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 34702315 MZFPMGNEGNDQRD-KAMYIIQDSA-N 448.382 4.910 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 34954450 JIBKHBVKIQSNFN-SDQBBNPISA-N 433.416 4.727 30 10 IJEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 39910819 AFXGZMVWTVPWDA-QFIPXVFZSA-N 433.504 4.938 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1)c1ccccc1 59020227 RJQZZIYIFSXGEG-KSEXSDGBSA-N 435.340 4.678 30 10 IJEE COc1cc(/C=C\C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc(OC)c1OC(F)F 96925871 MOFNSOBICQTGBE-KTKRTIGZSA-N 441.434 4.649 30 10 IJEE CN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 105535077 QGLNQFUUUOPWSD-KRWDZBQOSA-N 436.364 4.882 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC(C)C)cc1 169977984 SNYGJPUJFNZWID-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1 169988061 MSKUVBCNLNYVPS-IBGZPJMESA-N 427.428 4.818 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)c1 170119409 XJFICRMNQMCEKC-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 170131725 SOPFWYVRUGFYJP-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OC(C)C)cc1 170151989 AVXMNWSTBRFONC-OAQYLSRUSA-N 438.480 4.760 30 10 IJEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCc1ccc(Cl)cc1 170179744 OWTIEJKIDAXFGK-UHFFFAOYSA-N 430.360 4.872 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)cc1 170214702 QVEFQOPOSWSRHB-NRFANRHFSA-N 436.464 4.514 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 170226920 FZUYYBVPSZIMED-OAQYLSRUSA-N 433.847 4.852 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccco2)cc1 170295476 JBECLPWJPOWWSK-JOCHJYFZSA-N 441.524 4.708 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(C(C)C)cc1 170422190 WLCMNOLVHLCDHC-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE O=C(OCCCCSc1nnc(N/N=C/c2ccccc2Cl)[nH]1)c1ccccc1 253574258 SIZNOOACZFPFMN-HYARGMPZSA-N 429.933 4.633 30 10 IJEE O=[N+]([O-])c1ccc(OC(F)F)c(C=NC2=NN(c3cccc(C(F)(F)F)c3)CC2)c1 254291563 FWUKRVCHFIXRDM-UHFFFAOYSA-N 428.317 4.858 30 10 IJEE CCCNC(=O)c1c(N=Cc2ccc(COc3ccc(Cl)c(Cl)c3)o2)cnn1C 254302486 HTFQBBVVPRWLKE-UHFFFAOYSA-N 435.311 4.789 30 10 IJEE CCCCCCCCNc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 257627506 BJPAHVRSGSRUNN-UHFFFAOYSA-N 437.631 4.603 30 10 IJEE C=CCN(C(=O)c1cc(Br)ccc1Cl)c1nc(C(=O)OCC)cs1 409835315 ZPVGGOORRGTOEA-UHFFFAOYSA-N 429.723 4.569 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Br)cc1 460375381 OZOQEPAVXFREME-HXUWFJFHSA-N 438.373 4.944 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)c1ccccc1 503456255 VOAJSJDATVXCQO-LJQANCHMSA-N 436.371 4.598 30 10 IJEE N#C[C@@H](NC(=O)c1c(F)cccc1I)c1c(Cl)cccc1Cl 505506286 LADLPMRLBWSVMR-GFCCVEGCSA-N 449.050 4.732 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc1OC 526801609 XBVMZUYYEFGEOJ-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 526828385 CDXTYNHHLSGQCX-HMAPJEAMSA-N 425.514 4.848 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cn1 549208410 OIWPANMYLUOOPR-CYBMUJFWSA-N 440.569 4.768 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 549677047 ODWTTWAEXBDJDN-LJQANCHMSA-N 433.512 4.668 30 10 IJEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 567244900 WPYRGZPTUSNTLG-UHFFFAOYSA-N 449.643 4.850 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 580454759 CDPCLHOGIIWNBD-HSZRJFAPSA-N 440.551 4.791 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC 586212114 WMKCKJMNMACGJS-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N1CCN(c2ccc(F)cc2)CC1 612804269 HBHSPUTWHDQQJA-CHWSQXEVSA-N 441.391 4.567 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1csc(C#N)c1 687755085 HFAFHPBWIANPSU-DEOSSOPVSA-N 432.501 4.848 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 699582262 KXQJCQYIVNODMW-NTKDMRAZSA-N 445.560 4.655 30 10 IJEE N#Cc1ccc(CN/C=C2\C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)c(F)c1 729837562 XJDFSACAUAJXPQ-RGEXLXHISA-N 431.854 4.668 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 733198603 ZUTAZDSISKXTTI-JOCHJYFZSA-N 433.577 4.904 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1ccc(OCC#N)cc1 733374529 LAOAFZAJKCPZDV-HXUWFJFHSA-N 449.334 4.784 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1=S 747833046 STYLGZABHXTHEA-QZTJIDSGSA-N 449.020 4.538 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCCN3C(=O)c4ccccc4C3=O)n2)cc1 753920756 JOGJEPKGSTUTFL-FQEVSTJZSA-N 443.528 4.761 30 10 IJEE CCCCCCCCNC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 780037065 YGSPWOJGBDTDNR-HXUWFJFHSA-N 425.577 4.912 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)c2)s1 805143325 GUZMBTZWTVPNAA-LJQANCHMSA-N 445.466 4.838 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1126491474 TYTSRMTZZSAAGJ-NRFANRHFSA-N 439.552 4.764 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)cc1OC 1133944186 RHTSAIDKMCDAOP-OQLLNIDSSA-N 426.476 4.646 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1137856496 DDGUDLVTMVVCLW-NRFANRHFSA-N 441.572 4.951 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)CCCN1C(=O)OC(C)(C)C 1138634066 SEKWNCFYZOEWIY-RUZDIDTESA-N 444.522 4.764 30 10 IJEE C=CCN(C(=O)c1[nH]c2ccc(F)cc2c1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1154302068 YRRHUSPCWBPYKZ-LJQANCHMSA-N 428.891 4.763 30 10 IJEE C=CCn1c(SCCOc2ccc(F)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 1188282426 CYPPWTWTEBWUHV-IBGZPJMESA-N 447.919 4.940 30 10 IJEE CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2cccc(Cl)c2O1 1189135422 BGUHFTBBRNKYTJ-LBPRGKRZSA-N 430.835 4.597 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 1222659644 HBGDXGZGXKJNQW-FGZHOGPDSA-N 437.584 4.515 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCN(c3cccc(C(F)(F)F)c3)C[C@H]2CCC)c1 1230087377 URPPQGQNPMMHQI-JOCHJYFZSA-N 429.486 4.887 30 10 IJEE C=CCc1cc(CNC(=O)Cc2ccc(Br)cc2Cl)cc(OC)c1OC 1264830911 AYRFXUSWIDIDAF-UHFFFAOYSA-N 438.749 4.707 30 10 IJEE C#CC[C@]1(C(=O)O[C@@H](C)c2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1267232487 IKBHRPPYIDTYFV-YCRPNKLZSA-N 436.346 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1286277500 DHIVJVMWGPEYEF-HUUCEWRRSA-N 432.952 4.973 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1286352231 YKCMMPNUMCCOLA-QGZVFWFLSA-N 425.577 4.946 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCC1CCC(OC)CC1 1286441622 SCVXTTWQDQBGLF-UHFFFAOYSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(c2ccccn2)CCC1 1286454439 XFOXIJMDAPQPIW-IBGZPJMESA-N 433.531 4.534 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(c2ccnn2C)CC1)c1ccccc1 1286678905 GVANYKUYPFXDLQ-QHCPKHFHSA-N 432.616 4.954 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C)CCC1 1286748387 WUEQYXFPYABDOV-QHCPKHFHSA-N 430.618 4.763 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286772234 VMMPHJDXFKXLBS-ZDUSSCGKSA-N 425.396 4.739 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@]3(CCSC3)C2)cc1 1286795980 GPVSIENTDAERPR-DEOSSOPVSA-N 426.630 4.813 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCC2CC2)CC1 1286836569 NIUGMAXELKNUTI-NHCUHLMSSA-N 448.677 4.511 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1sc(-c2ccc(OCC)cc2)nc1CC)C(=O)OCC 1287776336 ISRDLVXXNYFVEO-QGZVFWFLSA-N 436.961 4.575 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)C1 1291101818 BZTWOXJEMPNWRO-FQEVSTJZSA-N 434.632 4.954 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1293346433 CEEPHSOSIZZRNK-INMHGKMJSA-N 434.371 4.807 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1300357915 BHEXXMAHSQHODO-DHIUTWEWSA-N 446.599 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H](CC(C)C)N(C)C 1300817403 KLTIXTRJKRHSKJ-SQJMNOBHSA-N 439.673 4.847 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]2CC[C@@H]21 1300831950 BUBYFLGLMZGJJN-CJNGLKHVSA-N 437.769 4.895 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N 1300873284 INWPPWXNHIJNRJ-IKVWTGGYSA-N 443.979 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC1CCOCC1 1301140898 FYCSPZYFTNJLQQ-UHFFFAOYSA-N 426.561 4.529 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1301148305 NNXFUHQJWLAFSE-PKTZIBPZSA-N 437.632 4.833 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCC(C)C)C1 1301150896 DCTJUICDFHIPIM-DENIHFKCSA-N 440.588 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(C)(C)C)C1 1301160013 JTFWLQFZHNOFJG-KRWDZBQOSA-N 429.634 4.744 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1301216835 STVIKSJRPRAULM-OALUTQOASA-N 434.588 4.514 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCN(CCC)C1 1301270510 INZFCFWSZWZQQU-QFIPXVFZSA-N 432.616 4.707 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccccc1)C1CC1 1301271116 PLFJHRBBCATDGA-IBGZPJMESA-N 440.389 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CCN1CCc2sccc2C1 1301358351 ZSRGMKVVQNNROH-UHFFFAOYSA-N 427.643 4.775 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCc1coc(-c2ccc(C)cc2)n1 1301390617 LMHHMNPPOPAJGH-JOCHJYFZSA-N 433.556 4.904 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)c1c(C)noc1C 1301415313 QOMGVEZCPOUNON-HNNXBMFYSA-N 429.952 4.646 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC(C(=O)c2cccs2)CC1 1301469782 GHBYGUVUKNPONQ-UHFFFAOYSA-N 436.581 4.766 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cccs2)C1 1301537679 CTYJQUNMOXMWDK-VQTJNVASSA-N 438.597 4.926 30 10 IJEE N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCC[C@@H](O)C2)c1 1302982214 GORRPFILWDNDAJ-AZUAARDMSA-N 447.505 4.537 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H]3CCN(C)[C@@H]3c3ccc(Cl)c(F)c3)cc21 1311251460 CGKPSISHWSHQHQ-VGOFRKELSA-N 441.938 4.829 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccccc1)c1ccccn1)c1ccc(Br)cc1 1312936897 MPVNZXDAQOTEGZ-RBBKRZOGSA-N 434.337 4.802 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1358378351 XWFJACLXUCXQNN-UHFFFAOYSA-N 435.948 4.780 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)c1ncc(C)s1 1358874506 XXHDAKSXDJUIQL-YQQAZPJKSA-N 427.549 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1358891948 POFBXHIEQVXFKG-KRWDZBQOSA-N 437.975 4.601 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1F 1359003519 OBBSIQAMYKELFH-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cc(C(CC)CC)no1 1359066797 PVAUEPMFGXBOEJ-XMMPIXPASA-N 448.527 4.785 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1359133463 SCYVTNYKYLSHAO-QHCPKHFHSA-N 439.648 4.560 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1359180067 PXKCEJDWJQMAHL-UHFFFAOYSA-N 443.473 4.613 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1359247745 NNAZWWPAIOTRLZ-GOSISDBHSA-N 438.576 4.519 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(OC)nc2ccccc12 1359268408 PFDUJEVJRTWWTI-UHFFFAOYSA-N 446.942 4.777 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C(C)C)C1 1359276683 MMGADDDGAKGZDH-JOCHJYFZSA-N 433.600 4.894 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1359338657 CPSNLRBDMWEUCG-QFIPXVFZSA-N 439.673 4.739 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359340507 OSPGXLMZNWRBJL-UHFFFAOYSA-N 435.519 4.858 30 10 IJEE C#CCN(C(=O)c1cnn(CCC(C)C)c1C)[C@@H]1CCOc2ccc(Br)cc21 1360310210 CERVLSQGNFFOKT-HXUWFJFHSA-N 444.373 4.599 30 10 IJEE C[C@H](NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 1435858366 FRDYJFNTOKCGJV-KRWDZBQOSA-N 430.529 4.652 30 10 IJEE C=CC[C@]1(C(=O)O[C@@H]2CCCc3cc(C(=O)OC)ccc32)CCCN1C(=O)OC(C)(C)C 1436466402 ICXDVJIGURHYKD-CJFMBICVSA-N 443.540 4.740 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)c1ccc(Br)cc1 1436652298 YKFFZXMTICHMAX-FZKQIMNGSA-N 435.159 4.881 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC(Cc3ccc(Cl)cc3)C2)nnc1-c1ccco1 1445170717 BBQAOPXOKZOTRU-UHFFFAOYSA-N 442.972 4.561 30 10 IJEE C=CC(C)(C)CCCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 1455477630 XNZBXHQSORKSNV-UHFFFAOYSA-N 433.346 4.946 30 10 IJEE C#CCN(C(=O)c1ccn(C(CC)CC)n1)[C@@H]1CCOc2ccc(Br)cc21 1456444188 HABDDSIFNTVOAF-LJQANCHMSA-N 430.346 4.606 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccncc1)Cc1cccs1 1457131693 RJPKMQOPWUCUSL-SFHVURJKSA-N 435.977 4.708 30 10 IJEE C=CCn1c(SCC(=O)N(C)CC2CCCCC2)nc2sc3c(c2c1=O)CCCC3 1458821612 YKTRHIRTJZFUEQ-UHFFFAOYSA-N 445.654 4.654 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC2(C)C)c1 1459904813 FKADYHJZNCKUNK-HXUWFJFHSA-N 432.973 4.640 30 10 IJEE COc1ccc(C[C@@H]2CCCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)cc1 1460132848 CNBIYRQRWCITBL-IBGZPJMESA-N 437.609 4.790 30 10 IJEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCc4c3cc(Cl)c(C)c4Cl)CC2)o1 1460847243 GDZZPZYDAZQSJX-UHFFFAOYSA-N 433.339 4.666 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccccc1 1463269570 GZJMGSPCSMFWAW-NFQMXDRXSA-N 447.398 4.826 30 10 IJEE CC(C)(C)Sc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 1466671536 ARPYWAUUUQYLJF-IBGZPJMESA-N 440.544 4.511 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3n[nH]c(C)c3-c3ccc(Cl)cc3)n[nH]2)c1C 1472613169 NEOGHLKUBGERDK-UHFFFAOYSA-N 435.919 4.680 30 10 IJEE C=CCn1c(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)nnc1-c1ccc(C)cc1 1472737877 XMGYYQMZCRSVNE-UHFFFAOYSA-N 439.484 4.884 30 10 IJEE C=CCn1c(SC[C@@H](OC)[C@H]2CCOC2)nc2scc(-c3cccs3)c2c1=O 1472917551 ITWLZWGKOIFLKS-DZGCQCFKSA-N 434.608 4.516 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C)cc1Br 1472961841 DJHZDFPFNZDKPG-UHFFFAOYSA-N 435.435 4.856 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2ccc(I)cc2Cl)c1 1476033731 KZPUUUPUAVZORR-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(n1)CCCC2)[C@H]1CCOc2ccc(Br)cc21 1477065303 ZPWBLBXNLYCHTJ-IBGZPJMESA-N 440.341 4.714 30 10 IJEE C#Cc1ccc(NC(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1 1477146630 GHZRCCJUEQYMSD-QHCPKHFHSA-N 431.964 4.966 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1)c1ccccc1 1479189555 OOWUKEIPWQLJFM-RDGATRHJSA-N 449.595 4.714 30 10 IJEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1)N1CCC[C@@H](C)C1 1493695329 FGRPIPWERRATJX-MOPGFXCFSA-N 434.613 4.635 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)c1nc(C)cs1 1505227947 FGEXBQSGJZMPQI-WBVHZDCISA-N 440.642 4.963 30 10 IJEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)c1cccs1 1507756093 SPUJZJGKUQGKSJ-KRWDZBQOSA-N 435.622 4.976 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1507775669 SZXNYTMREGWHKK-YLJYHZDGSA-N 447.421 4.928 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1507783742 HLWYGJAQBVQYIJ-MSOLQXFVSA-N 449.368 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1507814098 JSCDEGVGOYGIEH-FGZHOGPDSA-N 434.632 4.977 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(COC)CCC2)CC1 1507879434 CCVDHGOKZLDYIY-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1507887184 ACOOUAQWWMMTOE-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2C)CC1 1507897856 UAHBGQHTGYKUAE-BJLQDIEVSA-N 428.552 4.632 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC2CCOCC2)CC1 1507931485 ABMWMVCJAMHSMI-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507939860 SJLDQVHJYRTFAQ-SFHVURJKSA-N 445.558 4.823 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1507944836 VSIXCUDSFWPQAC-SFHVURJKSA-N 429.996 4.764 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOC)CCC1 1507975730 XBOLPZMCCYBXIE-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@H]1SCCc2ccccc21 1508041492 FFEQYMWTHWYTMG-JOCHJYFZSA-N 426.630 4.680 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)CN2CCCC2)C1 1508115735 LBMJTNQCDXKFTH-NRFANRHFSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)c2nccs2)C1 1508123621 JEGUEOXPPUDPNC-APWZRJJASA-N 444.004 4.564 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)CC[C@H]1C)CCC(F)(F)F 1515719080 GLDMXXRPYDDVDD-QZTJIDSGSA-N 448.537 4.716 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](OC)c2ccc(Br)s2)cc1 1523486115 JBDKLGWIEOZLSW-GOSISDBHSA-N 438.343 4.846 30 10 IJEE C=CCN(C(=O)COc1ccc(F)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1524295398 JALKZCREMKBCGP-UHFFFAOYSA-N 431.420 4.595 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(I)c1C 1525020263 CUVZYUDNCXEOPI-GFCCVEGCSA-N 434.115 4.543 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)CCCN1C(=O)OC(C)(C)C 1526600647 NJEMBBPTRTXVIH-RLWLMLJZSA-N 442.600 4.822 30 10 IJEE C#CCC1(NC(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)CCOCC1 1535309554 KNMZANKCQUTRQU-UHFFFAOYSA-N 448.382 4.700 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(-n2nc(C)c(CC)c2C)c1)c1ccc(Br)cc1 1535483681 PYAWZLLJHZPVOP-JOCHJYFZSA-N 436.353 4.918 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nn(C(C)(C)C)cc2Br)cc1 1537825423 MKOMRDVHLJYGQN-UHFFFAOYSA-N 434.334 4.662 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOCC2(CCC2)C1 1539053372 QJYWSCYOQBFNAR-QFIPXVFZSA-N 436.600 4.845 30 10 IJEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1539079762 ZQOLKUAYXSLONX-DENIHFKCSA-N 447.410 4.723 30 10 IJEE Cc1nc(SCC(=O)NCc2ccccc2CN2CCC(C)CC2)c(C#N)c(C)c1C 1539332700 BKSFWEMCCIOLGW-UHFFFAOYSA-N 436.625 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@H]1CCCCO1 1539540016 CTYVGDYFEAKECX-NTKDMRAZSA-N 444.526 4.888 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1539651682 IZJSODOCJXNGBR-OTPAQWSUSA-N 448.652 4.562 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(F)(F)F)CC1 1539743519 IONQQJWPOABUTM-UHFFFAOYSA-N 428.886 4.970 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)OC)CC1 1539955447 XZSPPGCHKHRGKV-UHFFFAOYSA-N 437.371 4.998 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1540006210 RWIJJXPQJDRUDQ-UHFFFAOYSA-N 435.616 4.515 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccccc1Br)C1CC1 1540112282 UEDQTJMPXRUULX-UHFFFAOYSA-N 444.402 4.599 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)C1CCCCC1 1540857578 GQOKENKZQUTVAZ-AZUAARDMSA-N 431.625 4.984 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCSc2ccccc2)C1 1540889366 KHXXOYJMKHRNHB-FQEVSTJZSA-N 435.597 4.612 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)c(OC)c1 1544184725 KCHUTXSLTVZKAY-VQIMIIECSA-N 444.369 4.970 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)s1 1545622694 HTMBKUOGGFSYOR-WFASDCNBSA-N 429.032 4.889 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)C1 1546106020 GRSFSIQBIIPVER-IBGZPJMESA-N 427.643 4.682 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC(F)(F)F 1546615048 CPIMBGVFOFWLAJ-FXAWDEMLSA-N 448.537 4.716 30 10 IJEE C#C[C@](C)(CC)NC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1556664701 XUHHMKWBQSOAEP-XMMPIXPASA-N 426.582 4.625 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC1(c2cccc(F)c2)CCCCC1 1561159634 BZJOUWAGYNAALJ-UHFFFAOYSA-N 440.462 4.897 30 10 IJEE C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(=O)(=O)c1cc(Br)ccc1C#N 1561346001 ASYUDIVSNRRYKM-CHWSQXEVSA-N 441.778 4.787 30 10 IJEE COc1ncc(NC(=O)N[C@H](c2cc(F)ccc2F)c2ccccc2Cl)cc1C#N 1563260158 AHKBXQJWKZMDQE-IBGZPJMESA-N 428.826 4.805 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 1564847336 LAMKLKWSGMCNBP-UHFFFAOYSA-N 435.902 4.507 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCN(CC)CC(C)C)CC1 1566806686 RNLXSDUWWJVXNA-FQEVSTJZSA-N 444.060 4.629 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 1583829981 FNXPVCCBFCBCIL-UHFFFAOYSA-N 447.535 4.516 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@]2(C)CC=CCC2)ccc1Cl 1584790241 FWTBTRMGFYVOIC-HSZRJFAPSA-N 444.984 4.950 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1586182639 DWGZOKJXPPIFEC-AQOAWAETSA-N 449.389 4.767 30 10 IJEE C#CCN(C(=O)c1cc2cc(OC)ccc2[nH]1)[C@H]1CCOc2ccc(Br)cc21 1586216285 CQZFHMUAXOIXLU-FQEVSTJZSA-N 439.309 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nccn1C(F)F 1587573914 AGBAFULGBZUXJI-LBPRGKRZSA-N 446.914 4.911 30 10 IJEE COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)cc1C#N 1587743817 BOACHQOEMJGAHT-UHFFFAOYSA-N 435.277 4.813 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(CC)(CC)SC 1589171350 BSOMRWQQRPNRQF-OAQYLSRUSA-N 427.574 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](SC)C(C)(C)C 1589233973 OELBEHXKWYBHCF-PXDATVDWSA-N 440.657 4.842 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)CC1 1594830318 VYORCCOVBYLSBG-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1595062443 QZRJBBJHCRGANR-GHTZIAJQSA-N 443.636 4.811 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[C@H](O)C2)C1 1595689132 RXNSBAYNINQLJL-AJSBUHFISA-N 438.616 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2cccc(F)c2)C1 1595737751 HKMZGONKRPDLBA-OAQYLSRUSA-N 440.588 4.829 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@](C)(CC)C1 1595845588 WOAIDNRIUCOHIH-YKSBVNFPSA-N 444.645 4.959 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F 1598364718 VWMQMBNXUOLXMR-UHFFFAOYSA-N 448.210 4.509 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1611768963 GZHJDBMQNZQDIR-NLFFAJNJSA-N 432.572 4.685 30 10 IJEE C=CCn1c(SCCO[C@H]2CCCCO2)nc2scc(-c3ccccc3)c2c1=O 1613283867 OKGZFRSHRJVNOL-SFHVURJKSA-N 428.579 4.946 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(F)cc2C(C)=O)nnc1-c1ccc(Cl)cc1 1616833796 OVZSHTJKJSTHJQ-UHFFFAOYSA-N 444.919 4.857 30 10 IJEE N#Cc1ccc(CSCC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc1 1624004219 HIFFWQBHBIPACJ-UHFFFAOYSA-N 434.468 4.967 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H](Cc2ccc(OC)cc2)C1 1624666294 DBLHBUNJZYPYCL-OAQYLSRUSA-N 431.536 4.541 30 10 IJEE C=CCCn1cc(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)nn1 1625326410 XMQOEUQKYXXVBS-UHFFFAOYSA-N 432.858 4.850 30 10 IJEE COC(=O)[C@@]1(C)CCCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1625884162 GEPNFGIXEWFNDM-HNNXBMFYSA-N 444.347 4.783 30 10 IJEE C=CCSCCNC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1626256072 MTAGQBNDWWSFNX-UHFFFAOYSA-N 432.386 4.610 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)c1 1626646872 YGXHXAIDVYPCLV-UHFFFAOYSA-N 442.924 4.958 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1 1627435175 ITIKHRYKBVKMIC-SLGOVJDISA-N 430.529 4.623 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccncc1 1628405466 RHNLRFNAMBXULB-VWLOTQADSA-N 441.531 4.571 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(C)C 1628517364 QRUHQLJSNIYWBP-NQIIRXRSSA-N 440.415 4.855 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C 1630925417 KGBRVMRFBOHIFW-KSNOWIBYSA-N 446.591 4.898 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc3cc(Br)ccc3n2CC)cc1OC 1632030782 RLACGZPPISFECD-UHFFFAOYSA-N 430.302 4.644 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 1633375635 PTFCXURFFHVYDZ-UHFFFAOYSA-N 445.610 4.644 30 10 IJEE C#CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCCc2ccccc21 1635883781 DXAZNMLIEZWFDN-KRWDZBQOSA-N 431.261 4.649 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2cc(Br)cnc2[nH]1 1636234232 RSHIEGBIHWZTBR-UHFFFAOYSA-N 441.207 4.556 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3CCCc3ccccc3)ccc2c1=O 1636951667 WGAYJUIDIZQSRJ-OAQYLSRUSA-N 447.604 4.889 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1637539893 MYRDOEUDRHJHLR-PDGJWGCVSA-N 427.589 4.603 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2n[nH]c(CC)c2-c2ccc3c(c2)OCO3)cc1OC 1637989504 CQTMFHBSIYRBJA-XFFZJAGNSA-N 447.491 4.593 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(NCc2ccccc2)nc2ccccc12)C(=O)OCC 1638988423 NMPWDZZGQWRHMF-OAQYLSRUSA-N 437.927 4.651 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@H]3[C@@H](O)c3ccccc3)c2)cc1 1639409598 BQHBZZPMEFVPDI-UIOOFZCWSA-N 426.516 4.866 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CCCN1C(=O)OC(C)(C)C 1640107744 UTFNZZCQVLKPGQ-VWLOTQADSA-N 436.556 4.727 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)OCC 1640862866 CEQMHIAUOZXTDX-VQTJNVASSA-N 446.341 4.583 30 10 IJEE CCOC(=O)c1sc(C2CCN(c3ccc(C#N)c(Br)c3)CC2)nc1C 1643095015 ICZSYZNMHHOWJD-UHFFFAOYSA-N 434.359 4.646 30 10 IJEE C#CC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC=C)CCCC1 1643516810 SMVISNDWMZFFKW-UHFFFAOYSA-N 435.380 4.592 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(OC)c(Br)c2)cc1OC 1649009744 IMPSHMJQXKRYSZ-UHFFFAOYSA-N 426.738 4.974 30 10 IJEE CNC(=O)c1cc(Oc2cccc(Nc3cc(Br)c(C#N)cc3F)c2)ccn1 1651899830 FXDGZSRBKJXSST-UHFFFAOYSA-N 441.260 4.750 30 10 IJEE N#Cc1ccccc1N1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 1653311043 BZFIRTSNDZMBQY-UHFFFAOYSA-N 440.547 4.891 30 10 IJEE CC(C)[C@@H](CO)N(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccccc1 1653482168 HZMQWUNRRHTLGA-PGRDOPGGSA-N 439.625 4.592 30 10 IJEE C#CCN(CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)[C@H]1CCCc2ccccc21 1655692555 NPMADYVXHWRLOX-JTSKRJEESA-N 430.470 4.775 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 1656071717 BYMOEZPEQGIGBQ-MRXNPFEDSA-N 434.443 4.551 30 10 IJEE Cc1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc(C)c1Br 1661493870 GHVHCHSOUYYZQO-UHFFFAOYSA-N 427.346 4.682 30 10 IJEE CC[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@@H](CC)CN1C(C)=O 1661860147 FKODCDOSYIYETP-SFTDATJTSA-N 436.581 4.963 30 10 IJEE CC(C)c1c(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cnn1-c1ccc(Cl)cc1 1671471415 HIQNEBVQMRONKJ-UHFFFAOYSA-N 448.958 4.875 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(c2ccccc2Br)CCCCC1 1682155595 BBQHFGBGGNOUGU-PXNSSMCTSA-N 435.406 4.931 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Sc2ccccc2)CC1 1689866875 MHBDSHPCFZLMIF-HMXCVIKNSA-N 438.641 4.980 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)c1cccs1 1690003583 RFVGNHOAYNVMGD-UHFFFAOYSA-N 439.588 4.914 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1690065169 NNYFZPFCTHNTJJ-NRFANRHFSA-N 430.600 4.785 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1C[C@H](C)C[C@@H](C)C1 1690066227 CHHJBYUGMDEZDX-QZTJIDSGSA-N 431.987 4.565 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)c1nccs1 1690088315 IKQAQOQLYUTDCW-MRXNPFEDSA-N 435.528 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccoc1C 1690253482 RBJGFWOFDZJCBQ-XXBNENTESA-N 440.519 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(CC(C)C)CC1 1690263032 XSRUXXZWEIVDRE-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1Cc1ccoc1 1690271296 KLMHGONHWVIYKF-UHFFFAOYSA-N 431.334 4.663 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ncc(CC)s1 1690306035 MYKSOPOIXVLSLB-UHFFFAOYSA-N 449.983 4.986 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1690334297 JWHHYDQFNJZREG-INIZCTEOSA-N 439.785 4.630 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](SCC)C1 1690428589 VMPUVCZMYURLML-KRWDZBQOSA-N 445.633 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690438080 ZHPHCYPUFUHZBY-AKIFATBCSA-N 438.616 4.937 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690491948 KSVOEUNSVJDQRM-JOCHJYFZSA-N 434.588 4.787 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC1(COC)CCCC1 1690518914 ZECKGTOISBRHOH-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(C)C 1690556355 UXRRKEPEPNMDCQ-UPVQGACJSA-N 447.583 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@H](C)CC 1690577430 HKOYCVCXSIGNEL-HXOBKFHXSA-N 425.602 4.700 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1Cc1ccc(N(C)C)nc1 1690605522 NBRJGYJLJIAWAU-UHFFFAOYSA-N 442.567 4.591 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](C)(C#N)C1)OC 1693969554 BJJKZTMVCQDEED-UWUFEASWSA-N 439.604 4.665 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)C12CCC2 1696192173 FVDKAZXNQHHBSB-OALUTQOASA-N 429.515 4.646 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1705528683 OQTPAZZDOPYPBJ-MSOLQXFVSA-N 445.405 4.762 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1705758959 GWZLQAVGPWDOLG-FQEVSTJZSA-N 446.064 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2cncn2)C1 1705788034 NHSPYPJUOODHTP-KRWDZBQOSA-N 443.958 4.773 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1CC 1705857438 VMFDWQYEOGBCBW-SFTDATJTSA-N 432.572 4.763 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCOC(C)(C)C)C1 1705916619 QIKFCKDIAYZNPO-FXAWDEMLSA-N 448.995 4.668 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cc(C)ccc2OC(F)F)C1 1705926982 ORTSVRANNLVDSI-HXUWFJFHSA-N 446.542 4.750 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCSc2c([nH]c3ccccc23)C1 1705946706 OOBWKXYRFPKLQG-UHFFFAOYSA-N 427.643 4.989 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)CC1 1708140441 AFCJYUOAEFKOAW-QPPBQGQZSA-N 434.632 4.954 30 10 IJEE CN(CCC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCCC1 1711189431 FDICJPNWBUJVTE-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722310148 HYVILWPNOOLJIM-FXAWDEMLSA-N 448.354 4.677 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722326453 GASQIBAROQGREC-QUCCMNQESA-N 442.991 4.616 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnc(C)s1 1722346262 VKWJCHYAAJUNSR-OAHLLOKOSA-N 429.977 4.571 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1722415780 GWDXFINCYQWRKB-QFIPXVFZSA-N 436.600 4.815 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCCC1 1722452086 LREIIKRIDHNYLG-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1722479279 BHQRXXWDSLUMDP-VBNZEHGJSA-N 436.785 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)c1nccs1 1722497924 ILRSDCSVBZKPGV-KSFYIVLOSA-N 441.988 4.763 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1cccs1)C(C)C 1722510569 SQOSAHUOKOJPTJ-NFBKMPQASA-N 437.613 4.722 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCCNc1ccc(C(F)(F)F)cn1 1722512410 CAUDQRPDNQBISS-UHFFFAOYSA-N 445.493 4.659 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1722528309 YANCBKZGUVAGPN-CYBMUJFWSA-N 428.421 4.705 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1722532635 RVGHWNBGWCAFFX-FCHUYYIVSA-N 429.653 4.619 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC2(CCC2)C[C@@H]1CC 1722533726 XUWUJHJYPFBRBD-SFHVURJKSA-N 430.543 4.899 30 10 IJEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1)c1ccccc1 1722542250 WHDDEOWMSAWUEA-BHIFYINESA-N 426.630 4.996 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1722578241 DQILPGSWGVQBCA-UHFFFAOYSA-N 432.572 4.709 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OC)C1 1722592982 DKCIXNNZRQKLLV-MOPGFXCFSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](CC)O[C@H](C)C1 1722606490 ACMTWSNXHPNZCH-ZBFHGGJFSA-N 437.357 4.817 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722609503 XJTWMMRTLLTIQR-SGLNWRHMSA-N 430.980 4.899 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1722681419 SRCBPVURVLZWEG-HSZRJFAPSA-N 435.616 4.625 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1722743231 VGTSQMLCZZZWJR-MOPGFXCFSA-N 432.659 4.723 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740543862 XUMNUOACBMQTSZ-NJAFHUGGSA-N 448.489 4.543 30 10 IJEE C#CCCCCn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740578295 GICDWTKPLWTXGF-SLFFLAALSA-N 443.636 4.725 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(C)s1 1740647300 QZNMOMRQGKHVHT-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 1740709091 JICSZQRBUHPEJP-KRWDZBQOSA-N 425.627 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@@H](O)C1 1740725677 OXKCZZJMNFUHGD-KKIGLAAZSA-N 442.991 4.615 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(CCC)Cc1ccc(F)cc1F 1740762485 DWOZNYUNQCKEHE-CVDCTZTESA-N 430.543 4.907 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1740813426 GNGWEBAWBHQBAU-QGZVFWFLSA-N 434.878 4.747 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCOCC2)C1 1740858423 QKFAMNUPKLLVTF-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1740858724 YJXWCPMAHLYTNA-UHFFFAOYSA-N 441.595 4.738 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740860971 WRZXCMPSDOOZJP-IBGZPJMESA-N 443.592 4.896 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(C)C)C1 1740869812 AEJSFQSBQHZQTB-SFHVURJKSA-N 437.357 4.674 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCCC[C@H]1CC 1740894280 OQBIYZQCOKKEMN-OAHLLOKOSA-N 438.439 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1740894909 LSBWKECRBHTYPS-RCZVLFRGSA-N 440.588 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1nc(C2CC2)cs1 1740895825 WALWBZYUZBTTRY-UHFFFAOYSA-N 430.375 4.712 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1Cc2ccccc2C2(CCC2)C1)C(C)C 1740925695 CWUSYKOUOLJQHE-DEOSSOPVSA-N 433.644 4.981 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCSCC(C)C)C1 1740977120 DKBVEOAAQIZKNW-HXUWFJFHSA-N 437.613 4.664 30 10 IJEE Cc1ccn2cc(Cn3c(-c4cccc(C#N)c4)nnc3N(CC(C)C)C(C)C)nc2c1 1742148244 APKIBCJJKBMVQE-UHFFFAOYSA-N 427.556 4.692 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@@H]2C)cc1Br 1748606651 AUAJDNLVXSYYFR-VYDXJSESSA-N 446.393 4.748 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@](C)(O)c1cc(C)oc1C 1748940829 ROMFBCXARZMKTQ-GKVSMKOHSA-N 438.547 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(CCOCC)CCC1 1749080504 OZLZURHLBCWZJT-DNRQZRRGSA-N 442.648 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CSCCS1 1749142948 AYOBMGDJQVKAIE-HXUWFJFHSA-N 428.671 4.999 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCc2ccccc21 1749175373 XEQIDPZRWCHOOC-SFHVURJKSA-N 426.362 4.746 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)CC)CC1 1749303014 CXNKYYCCXCWFCP-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)C(C)C)CC1 1749331801 YHTPYKWAFBAGNZ-NRFANRHFSA-N 433.394 4.517 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](CC(C)C)N(C)C)CC1 1749335076 NKRWVTDLFAYWDH-FQEVSTJZSA-N 446.039 4.986 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1749383450 XOOJIBSRNXVYDW-NQIIRXRSSA-N 447.549 4.978 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)OC(C)(C)C1 1749414947 KPOUFOQQZVBTKK-CQSZACIVSA-N 437.357 4.817 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC[C@H](C)N1CCCCC1 1749529945 PTMSCEKDRSRSTF-NRFANRHFSA-N 434.632 4.904 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)c1cccs1 1749550909 LCGMXOQYXKFWDS-KRWDZBQOSA-N 441.626 4.523 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749762496 WPHXDUBFHXXKPE-UHFFFAOYSA-N 449.624 4.576 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@H](OC)C(F)(F)F 1760213664 KZDGXNMZTJFFGZ-HXUWFJFHSA-N 446.517 4.673 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Sc1ccccc1 1760239151 YENIDVRGMBMGGM-CEWLAPEOSA-N 426.630 4.837 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](C)C1 1760278204 MWTWNQNRRLXTCC-INIZCTEOSA-N 433.419 4.700 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1760281512 TXQVBJLWOPCWAK-SFHVURJKSA-N 438.519 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCC=C 1760293952 JIAUILYBXKTWCZ-CJFMBICVSA-N 441.620 4.741 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)Cc1ccc(Br)s1 1760347194 JKGYIXGPIUULMO-UHFFFAOYSA-N 447.402 4.936 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2ncc(C)s2)CC1 1760368446 BVRLYNHMDMDQPA-UHFFFAOYSA-N 444.948 4.755 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](CC)N2CCCC2)CC1 1760383279 MBCVKBKCJJEIKO-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@H]2CC=CCO2)CC1 1760385583 XGIVAIAMDHVLGS-NRFANRHFSA-N 438.572 4.634 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](OC)[C@H](C)CC)CC1 1760385797 YWDZXOWFISFDGI-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCCN2CCCC)CC1 1760390892 NZJFUSUOTIGOQS-QHCPKHFHSA-N 425.596 4.819 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1 1760480936 JFLMPLSXYNTAAZ-BKMJKUGQSA-N 438.616 4.696 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)cc1 1760484449 ZPCAUQQYTFTHDU-UHFFFAOYSA-N 444.564 4.536 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ncc(CC)s2)C1 1760536472 HPWMTJXAOMOHIK-PZJWPPBQSA-N 437.613 4.669 30 10 IJEE CCC[C@@H]1C[C@H]1n1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1764654224 IEUHVHKGFMPXJI-PYDOFHOQSA-N 427.524 4.620 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1nccs1 1772725113 XNSTVKVEJCDHLA-FJGNPCKVSA-N 437.502 4.891 30 10 IJEE CCCOc1ccc(C=NNc2nnc3c4cc(Br)ccc4n(C)c3n2)cc1 1772764686 AQYXMZOAJOWSKQ-UHFFFAOYSA-N 439.317 4.514 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)n3ccccc23)c1 1858241841 HPQBTPIKZYRKEF-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)OC(C)(C)C)c2C#N)C1 1858724830 JWEPUOYSGRNVQU-CYBMUJFWSA-N 442.541 4.504 30 10 IJEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)Nc2cccc(Cl)c2Cl)CC1 1860592309 YGEFYUORDYZSQC-FQEVSTJZSA-N 435.351 4.681 30 10 IJEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(C(F)(F)F)cn1 1860729344 FQBSLIJBMTWSBY-PKNBQFBNSA-N 426.394 4.900 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(Cl)c1 1861041898 YNEXGDFTGRPQOQ-JOCHJYFZSA-N 430.976 4.863 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2C(=O)O)cc1 1862394560 HCDBSKXQOFDEGZ-JOCHJYFZSA-N 435.520 4.962 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862411421 HRQWYKLRMHPIIM-LJQANCHMSA-N 429.419 4.944 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862511422 LCZGSYDESFTRDY-OAQYLSRUSA-N 427.472 4.528 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862602803 LBNJKEABPYJNIA-XMMPIXPASA-N 443.499 4.958 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2F)c1 1862625465 HCFDQPIEWUPFPD-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862683825 UTRAYOVTGZBDMH-FQEVSTJZSA-N 442.443 4.598 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 1862689728 XULZIASVEKTASR-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC(C)C)c1 1862757804 PSWFKINYOAGLER-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862759559 UVCRHLIALCGHPE-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)cc1Cl 1863101869 KSYPXYHOSGVKON-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)cc3F)=C(c3c[nH]c4ccccc34)C2=O)c1 1863131508 LYALCKZMRBVIFI-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3cccs3)C2=O)cc1C 1863253403 HSKIYGFPCVGMEO-UHFFFAOYSA-N 427.529 4.671 30 10 IJEE CCCCCCCCN1C(=O)C(NC2CCCC2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863548460 KHRDNIJNZUVSAX-UHFFFAOYSA-N 425.573 4.618 30 10 IJEE N#Cc1cc(Br)c(NC(=O)CCc2ccc(F)cc2)c(Br)c1 1866124843 FGXQAOVAHVLBCR-UHFFFAOYSA-N 426.083 4.794 30 10 IJEE C[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866771879 KBHKHHDLCMKXHQ-ZHRRBRCNSA-N 433.458 4.502 30 10 IJEE CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1cccc(C#N)c1 1866826394 PSXUVHKBWFRSSB-JOCHJYFZSA-N 443.551 4.503 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(C#N)c1 1867183611 DZMLRGVINAADHE-YWZLYKJASA-N 429.973 4.582 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccccc2)cn1Cc1ccccc1 1870633651 DNZUIHKQSRFOAS-UHFFFAOYSA-N 444.575 4.919 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1cccc(C)c1C 1871015773 YUABOMKCTVCTDA-UHFFFAOYSA-N 427.589 4.563 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CNc1ccc(C)cc1C 1871166196 QGEZSIKWXJCMLP-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1ccc(CC)cc1 1871173043 ZWAGLOHVRXJOOJ-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE Cc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2cccc([N+](=O)[O-])c2)C4=O)cc1 1871347967 HLSWSXIZNJXOHP-OYKKKHCWSA-N 442.471 4.914 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1cccs1)C2=O 1871420860 NJTJJIIASRCXNB-ODLFYWEKSA-N 436.445 4.598 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1C)O/C(=C\c1cc(OC)ccc1OC)C2=O)C(=O)O 1871423674 WZJRHQVXZUOZLP-GAASDFDMSA-N 426.465 4.651 30 10 IJEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871438010 KICWVUFMZUDLFJ-HAHDFKILSA-N 434.536 4.505 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4cccc(C)c4)c3C)C2=O)c1 1871456167 PXMSPBUCWHLLBA-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 1871893021 GMKGLJSLLHQKIA-QFIPXVFZSA-N 446.638 4.631 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1)S(=O)(=O)CCCC 1872090332 LTPZXNVNWOMYOA-HSZRJFAPSA-N 428.598 4.937 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872453974 OZFCFJATDPBQOH-NRFANRHFSA-N 434.989 4.797 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccccn2)c1 1874308393 UQTOYBPBZWCNNU-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874367458 DDPTWNBHEWLBEE-YDZHTSKRSA-N 444.944 4.785 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(O)c(O)c1 1874379279 KFECFSNKCDYMSH-VULFUBBASA-N 448.523 4.902 30 10 IJEE CCSc1nnc(COc2ccccc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874384732 FIFSXZYFTXZJEW-OEAKJJBVSA-N 426.542 4.647 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)n2/N=C/c2ccco2)cc1 1874388557 RKFYADDAZFTUHN-MFKUBSTISA-N 445.548 4.692 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC)n1/N=C/c1ccc(Cl)c(Cl)c1 1874527375 LJOQZZDSZASUBI-WSDLNYQXSA-N 442.416 4.770 30 10 IJEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)ccc1F 1874618929 ZZLPOZZFFLXFPC-XBXARRHUSA-N 427.859 4.972 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCC#N)C1 1900608357 ZOOSYXCCCIEHGI-VWLOTQADSA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 1949113687 ZWDKTKDCBHXRJZ-PNCHPQGNSA-N 431.508 4.859 30 10 IJEE C=CCC1(Nc2ncc(Br)cc2Br)CN(C(=O)OC(C)(C)C)C1 1977571659 FZARMMSMEOULDI-UHFFFAOYSA-N 447.171 4.584 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@@H]1C#N 1985180976 QYFQSWMOIRAKPL-MSFWWKAZSA-N 445.563 4.748 30 10 IJEE C=C1CC(C[C@H](NCC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2011044716 YDRHPSFXZMXWLV-QHCPKHFHSA-N 427.633 4.880 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2(CC2)C1 2013255762 MYFBFTBFAQUUPU-OAQYLSRUSA-N 434.541 4.607 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccnc3)=C(O)C(=O)N2Cc2cccs2)cc1Cl 2033815737 QNBDPMKKIJQSQW-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CCOc1cc2c(cc1C=CC(=O)c1ccc(N3CCN(CC)CC3)c(F)c1)O[C@H](C)C2 2040454036 FKROZMXGMYUWPP-GOSISDBHSA-N 438.543 4.586 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C2CCN(CCCB3OC(C)(C)C(C)(C)O3)CC2)CC1 2044825161 SQMMGWXLAWCNIQ-UHFFFAOYSA-N 436.446 4.828 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1scc(C)c1Br 2060547791 VSZSGSYSAUETBX-ZDUSSCGKSA-N 431.396 4.637 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C2(C)CC2)cc1F 2080126346 NXTKNSJTFJXAOD-CQSZACIVSA-N 432.240 4.929 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(CCC)CCN(C(=O)OC(C)(C)C)CC1 2124464501 HDCQMWZAUFSPMB-UHFFFAOYSA-N 429.399 4.727 30 10 IJEE Cc1cccc(NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1C#N 2124697049 MRCSZHDKRQFOGW-AREMUKBSSA-N 449.551 4.649 30 10 IJEE CC(C)(C)OC(=O)NC1(c2cccc(Nc3ncc(Br)cc3C#N)c2)CC1 2169062235 UPBFUMYKMFVZSP-UHFFFAOYSA-N 429.318 4.973 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)c1cc(Br)cc(F)c1C#N 2174770913 DCXNJZJTQPJFBH-ACJLOTCBSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC1CC1)c1ccc(C#N)cc1Br 2174813459 WPNZWALIGWLKMX-KRWDZBQOSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](C#N)(C3CC3)C2)cc1Br 2181047932 HLIHNBYIGAUWJU-FQEVSTJZSA-N 434.334 4.562 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)Nc1ccc(C#N)c(Br)c1 2181103239 MELLKSCKXPQNCZ-MRXNPFEDSA-N 436.350 4.829 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181137246 ZOUZYYJNPVMABQ-CXAGYDPISA-N 436.350 4.685 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2235727393 QJQHTJQAVJMEDY-PKOBYXMFSA-N 435.406 4.816 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2235750252 SQEGNQPMFGZOEP-GNBUJSLZSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2248879556 NKEJKCKJJKBVBB-LYKCQVCGSA-N 447.498 4.761 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2cc(OC)c(Br)s2)C1 2263825647 UQIIEMHLSWLWJJ-CQSZACIVSA-N 431.396 4.641 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)C#Cc3cccc(Br)c3)cc2C1 2296222376 RGRAZLQRBRDEIY-UHFFFAOYSA-N 426.310 4.934 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2296223098 YWGHTJPXJCBSAF-UXHICEINSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](O)C#Cc3ccc(Br)cc3)CCCC[C@@H]12 2296276201 FPRQOBVFGIURBE-WOIUINJBSA-N 434.374 4.731 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2296295878 IDLVHQUDTAKAHN-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296310434 JQRLEBNZGYRNIF-MISYRCLQSA-N 435.406 4.862 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(Cl)c2)SC1=S 2296398014 NEAFYMWJMKNGLR-UHFFFAOYSA-N 445.949 4.955 30 10 IJEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(c2ccc(OC)cc2)C4)cc1 2296596573 MXFIFQOYNNKCSI-UHFFFAOYSA-N 429.472 4.985 30 10 IJEE Cc1ccccc1C(=O)N1CCN(c2oc(C=Cc3ccc(Cl)cc3)nc2C#N)CC1 2296746716 PTDQILIITLDIFM-UHFFFAOYSA-N 432.911 4.641 30 10 IJEE Cc1c(Cl)c(C)c(C=NCCNc2ccc([N+](=O)[O-])cc2)c(O)c1Br 2297534240 VYPZJEONUMIDQM-UHFFFAOYSA-N 426.698 4.864 30 10 IJEE CCCOc1cccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)c1 2321086161 TXIMONBBFPNHGQ-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE CN(C)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1 2322054625 BHEFUHMBQOUUEW-UHFFFAOYSA-N 430.479 4.860 30 10 IJEE COc1cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc(OC)c1OC 2322763039 ZJZIHIIQNPWMGB-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC(=O)Nc1ccc(C)cc1 2323044444 NKPNQWKKAORJCK-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1 2324405877 MONRUROFMIRPAZ-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)o1 2325402353 TVWIWHNRHNSQPL-UHFFFAOYSA-N 449.415 4.868 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)C1CC1 2325684007 ROXHSPODRKQJNE-UHFFFAOYSA-N 446.253 4.577 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3OC)c2)c(OC)c1 2325761310 ZTAKDQSAPHKGNZ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(OC)c1O 2326927026 WJRDGMRSWZYJCZ-UHFFFAOYSA-N 438.597 4.912 30 10 IJEE CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(Br)cc1 2327408576 QDOXJJQIZPXWET-UHFFFAOYSA-N 439.285 4.502 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)cc1 2328577109 OCKXWMCSXUAFAL-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE CCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328624529 ZXLCBBRFHSOMMC-UHFFFAOYSA-N 445.932 4.628 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2330276265 XHNJRRNWDSVUIR-UHFFFAOYSA-N 428.602 4.846 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1F 2331456684 SLAVWDJCKSWIND-UHFFFAOYSA-N 441.436 4.848 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1cccc(Cl)c1)Nc1ccc(F)cc1 2331493168 DROFBNUQWJORBT-UHFFFAOYSA-N 443.935 4.951 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)ccc1F 2345739151 MNCBOXKCNFYVRX-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@@H](N)C#Cc3ccccc3Br)(C2)C1 2358671242 GKBHCPQHWFCFMC-GTCCEBARSA-N 433.390 4.555 30 10 IJEE CO[C@@H]1C[C@@](C#N)(Cc2ccc(I)c(Br)c2)C12CCC2 2377399890 YDWSPOIMXCHJFN-HUUCEWRRSA-N 446.126 4.695 30 10 IJEE O=C(Nc1ccc(Cl)cc1)[C@H]1c2cccc[n+]2CC(=O)N1c1ccc(Cl)c(Cl)c1 13367027 GTISJZQNCLIVMN-HXUWFJFHSA-O 447.729 4.661 30 10 IJEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)c(OC)c1 21219429 VDTPUHZDKAMFFR-PGRDOPGGSA-N 449.547 4.743 30 10 IJEE CCOC(=O)c1c(NC(=O)CCSC)sc2c1CC[C@@](C#N)(c1ccccc1)C2 23309909 UIOMPKOKLVZMKY-JOCHJYFZSA-N 428.579 4.567 30 10 IJEE Cc1c(/N=N/c2ccccc2C(=O)c2ccccc2)c(O)n(C[C@@H]2CCCO2)c(=O)c1C#N 39871583 MVUORDFJDGPAGI-BWBFJQJUSA-N 442.475 4.559 30 10 IJEE O=C1/C(=C/c2cccs2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2F)CC1 41585427 CWGVCQXQHIXOIN-HMAPJEAMSA-N 436.508 4.531 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1cccc(Cl)c1Cl 59016251 ZABMPLCAIJYOGB-UCXQJLNCSA-N 447.351 4.953 30 10 IJEE Cc1ccc(-c2csc3ncnc(NN/C=C4\C=C(Br)C=CC4=O)c23)cc1 137306255 VBEPDKFBGUUUQP-NTEUORMPSA-N 439.338 4.885 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2Cc2ccccc2)cc(Cl)c1OC(C)C 169911668 YDIWWCITZFDNQF-QRVIBDJDSA-N 430.961 4.879 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929658 VMDWTOJEQRQMBJ-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE CCCOc1cc(OCCC)c([N+](=O)[O-])cc1[C@H]1NC(=S)N(CCC)C(C)=C1C(C)=O 169930467 MIRIWPFWXPOQKX-OAQYLSRUSA-N 449.573 4.677 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 169957092 SOZXZKXFBNJPNP-XMMPIXPASA-N 448.563 4.981 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccs2)c1 169983350 OXRDOMIWAMLTDP-NRFANRHFSA-N 433.485 4.877 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2)cc1 170048433 ARNCYJAMUUJAJF-XMMPIXPASA-N 443.499 4.872 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccc(C(C)C)cc1 170065910 CRBYISJGHMLDLM-HSZRJFAPSA-N 437.536 4.822 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(C)o2)c1 170099825 ZRDNTOLYDHGJIC-QHCPKHFHSA-N 446.503 4.836 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170117184 ITXQTRSRXVZLOG-QHCPKHFHSA-N 435.520 4.842 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(OC(C)C)cc1 170152566 HRSDBCUEKSJHCJ-OAQYLSRUSA-N 427.472 4.610 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170178997 LUDVEZKRXVMEBV-LJQANCHMSA-N 440.286 4.562 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccn2)c1 170181960 DEPDAUCEXPOENG-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccncc3)oc12 170200185 APLMXLQGFDATQQ-OAQYLSRUSA-N 444.418 4.758 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccncc2)s1 170204269 ZXBVLEFLBLNJRN-QGZVFWFLSA-N 425.897 4.591 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)cc1C 170251230 CNOCLKWHVMLPKQ-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)cc1C 170259961 IQPHBWAVRNGXFC-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1C 170270924 JXXVKPBQCDCXHC-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1cccnc1 170274672 KXOQZFBOAMHLDY-XMMPIXPASA-N 442.515 4.956 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2sccc2C)cc1C 170317053 JAFDTABCBRCNPN-OAQYLSRUSA-N 448.544 4.855 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OC(C)=O)c1 170321010 QYMYUQCNVUXCNS-XMMPIXPASA-N 447.531 4.869 30 10 IJEE CCCNC(=O)c1c(N=Cc2ccc(COc3cccc(Cl)c3Cl)o2)cnn1C 254483505 JPTUIEUAPMDGEY-UHFFFAOYSA-N 435.311 4.789 30 10 IJEE C[C@@H](NC(=O)Cc1noc(/C=C/c2cccc(C#N)c2)n1)c1ccc(Cl)cc1Cl 445764886 JTAAWLWRJQATND-OQHXTRMZSA-N 427.291 4.838 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 475565436 PQJWJRVMYBATBU-QHCPKHFHSA-N 448.611 4.558 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)c1ccc(F)c(F)c1 478916998 IFKOUKFHLIUJGS-SCLBCKFNSA-N 425.401 4.621 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)n1nc(C)cc1C)c1ccc2c(c1)OCCO2 516363489 UQDJJIMPTGXHMH-FQEVSTJZSA-N 447.535 4.630 30 10 IJEE Cc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1I 518848842 DRUTWYTVSSEYNG-OAHLLOKOSA-N 444.194 4.613 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)ccc1OC 526487268 WIBVITJANQKYFM-HSZRJFAPSA-N 430.460 4.924 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)c(OC)c2)c1 526607627 ZMZDZKZJQFPALM-XMMPIXPASA-N 442.471 4.728 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)oc2C)nnc1-c1ccc(Br)cc1 548784268 MHHLIBGPNMLNCU-UHFFFAOYSA-N 448.342 4.874 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2)cc1OC 549167999 PCKORHSINVFWLQ-UHFFFAOYSA-N 445.567 4.921 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(Oc2ccccc2Cl)CC1 559007850 TZPTZTXBCVEGOX-UHFFFAOYSA-N 426.948 4.934 30 10 IJEE COc1ccc(CCN(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)cc1 586166514 PJTUTBHXFMOMMM-UHFFFAOYSA-N 440.952 4.654 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)[C@H]2CCCN[C@@H]2C1(C)C 693777417 YDCFHVYDXLDEGT-XXHMAFKTSA-N 434.378 4.861 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1C#N 747302302 QIPVKNKBBAQSMP-UHFFFAOYSA-N 434.883 4.794 30 10 IJEE Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc(OC(C)C)cc1)=C(/O)c1ccc(C#N)cc1 762440246 LTZLATAOJNAIHZ-UHFFFAOYSA-O 446.552 4.970 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1 774571102 PDHWIPRMZXEZQS-DEOSSOPVSA-N 448.563 4.634 30 10 IJEE O=C1C=CC=N/C1=C(\O)NCCN[C@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 779102794 BVOWBIMTYNJTOW-WCZGFUKNSA-N 449.860 4.564 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccc(-c4ccc[nH]4)cc3)c2)s1 784711358 BHFMMJCWISULRG-UHFFFAOYSA-N 426.501 4.537 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@@H]1c1ccc(C(F)F)cc1 794779371 HLKPFBGGCDFZDH-MRXNPFEDSA-N 437.309 4.906 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 806182513 VIRDKAWHBNPMII-KRWDZBQOSA-N 429.442 4.810 30 10 IJEE C#CCOc1ccccc1-c1noc([C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)n1 809395566 MXFXUVUAMKKWLZ-NNWRFLSQSA-N 427.504 4.895 30 10 IJEE C=CCn1c(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nnc1C(F)(F)Oc1ccccc1 809922325 SWHWFFSDSJVPIQ-WMLDXEAASA-N 429.298 4.613 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)c1ccccc1 811898195 NHNAUTCMDQRENK-ILWGZMRPSA-N 441.369 4.669 30 10 IJEE Brc1cccc(CSc2n[nH]c(NN=Cc3c[nH]c4ccccc34)n2)c1 1084261836 LYRFFAGAPHQYPP-UHFFFAOYSA-N 427.331 4.787 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 1124599458 YDJJVZXWZYHATL-UHFFFAOYSA-N 444.487 4.611 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 1126052193 VBNKWMHPDFJLLB-KRWDZBQOSA-N 448.441 4.890 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1OC 1127895159 MOKCDQWLDYODDS-UITAMQMPSA-N 441.325 4.833 30 10 IJEE C=CCCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1128603985 KNMFAABRBPBDKS-BWKNWUBXSA-N 436.552 4.579 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nc(NCc3ccco3)ncc2Cl)C(F)(F)F)cc1 1128867698 ZJTBRXVYJTYAHN-QGZVFWFLSA-N 435.789 4.777 30 10 IJEE COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)s2)cc1 1129545367 GIXXXVDBDQIMBV-UHFFFAOYSA-N 434.521 4.507 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)nnc1-c1ccco1 1131264648 GNRSSKYJDVYDMQ-QGZVFWFLSA-N 446.479 4.631 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1131567898 UVCDPLPWZASFKG-INIZCTEOSA-N 426.442 4.991 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1Br 1135642486 HWCXLHNWUSIHDG-GOSISDBHSA-N 444.329 4.720 30 10 IJEE C=CC[C@H](NC(=O)c1cn(-c2ccccc2C)nc1-c1ccc(CC)cc1)C(=O)OCC 1138146327 KDSJWBHLIOBHEC-QFIPXVFZSA-N 431.536 4.648 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1cccc(Br)c1 1141514722 BLLDHVZWAONIAU-MRXNPFEDSA-N 445.785 4.834 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 1143640973 FQAXCRBGBOZHMC-UHFFFAOYSA-N 428.535 4.756 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 1148499472 JTTNFDBVMJIWDG-UHFFFAOYSA-N 441.462 4.951 30 10 IJEE C=CCC[C@H](NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)C(=O)OCC 1158279907 CIRNCJKIXCSSDT-KRWDZBQOSA-N 431.945 4.677 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 1161670784 HRRHPMSMFINWKV-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 1163025127 AXSPUJCPDLXGDC-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1166517363 CBEIBYJSGWMPLD-WMZHIEFXSA-N 426.582 4.969 30 10 IJEE N#Cc1ccccc1S(=O)(=O)NCC1(c2cccc(Br)c2)CCCCC1 1187633478 FPKARJYZSWLDMO-UHFFFAOYSA-N 433.371 4.501 30 10 IJEE O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1196360752 FDCOUMBYHXZXOA-UHFFFAOYSA-N 447.314 4.970 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2[C@H](O)c2ccccc2)cc1 1199059352 QGXCCJZQUGBQGI-BJKOFHAPSA-N 433.552 4.621 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(CCO)cc3)cc2Cl)c1 1199731203 BRUPMRZAUNESQK-UHFFFAOYSA-N 435.911 4.647 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](c2cccc(OC)c2)C1 1206193957 BRPCJDAJQJBRJJ-FQEVSTJZSA-N 447.329 4.628 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(F)c(F)c1 1234556002 NVHGHVXGRVEADI-PKOBYXMFSA-N 448.819 4.985 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCCO2)C1 1256718589 CJQVAFKBDWTMOT-HZPDHXFCSA-N 444.988 4.774 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(C)cc2O[C@H](C)CC)CCCN1C(=O)OC(C)(C)C 1266168169 MQYJKXCAQKRHSM-KBMIEXCESA-N 428.573 4.582 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H](C(C)C)N1CCCC1 1286454359 IVJAGITXBBXTGM-HSZRJFAPSA-N 449.574 4.746 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccs1 1286460135 KOIQHGSXHUNPEJ-UHFFFAOYSA-N 440.638 4.666 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N(Cc1ccco1)C(C)C 1286557172 HEYBFZGOYSRPRH-GBXCKJPGSA-N 438.547 4.997 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286584998 ZOLTUAOPLMSJMK-JOCHJYFZSA-N 439.604 4.701 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1286586179 XLZRDCDEXHCACL-JPYJTQIMSA-N 428.602 4.726 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1286640509 JBXQBWVVCNVPOM-SFTDATJTSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1286655151 KNVUZPFDTKFPOG-SFTDATJTSA-N 432.616 4.587 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1286678624 BBPXTHZTDPAVRU-RPWUZVMVSA-N 431.584 4.629 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N(Cc2cccc3ccccc23)C2CCCC2)c1 1292779792 OKROSLHVXONRKP-UHFFFAOYSA-N 448.588 4.889 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1 1293357961 BSXRCRFZMYDWKD-WOJBJXKFSA-N 425.552 4.953 30 10 IJEE CCCOc1ncccc1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C#N)CC1 1294976833 CYNQCOQCYUEFDT-QHCPKHFHSA-N 444.583 4.792 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1300339505 OALGOPGATULUMJ-UHFFFAOYSA-N 431.625 4.678 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301016962 DHBBAEHYSWWFBE-CABCVRRESA-N 425.360 4.828 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301170090 NTKFQBSQHDRJCK-UGKGYDQZSA-N 437.588 4.507 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1301227099 LTLOAXNDYNVGPJ-IBGZPJMESA-N 425.577 4.808 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1301273129 ODVZIEUSVRTYMQ-GOSISDBHSA-N 449.546 4.602 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1CC 1301372065 IATSDXGZZVCNSE-UHFFFAOYSA-N 426.362 4.825 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@@H](C)C1CCC1 1301602907 YXTFYVVGGNMYJY-KRWDZBQOSA-N 428.602 4.650 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(C)Cc3oc4c(C)cccc4c3C)ccc2c1=O 1306870420 HAYYAXMISZHKAW-UHFFFAOYSA-N 433.533 4.506 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCCC1(C)C 1311575056 DJDBARDLUHYCMQ-RXVVDRJESA-N 435.634 4.554 30 10 IJEE C#C[C@@H](NC(=O)NCCOc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 1312777270 PMRKPLDPAPKWLY-QGZVFWFLSA-N 442.140 4.808 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(F)cc1 1312934061 IGBIBVXFHRJOAM-UNMCSNQZSA-N 443.563 4.569 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(Br)cc1 1312937608 REAUGFVRMIDXSI-FUHWJXTLSA-N 438.325 4.854 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCCCC2)nn1 1348858605 ZZLLCIZNKPTDQQ-UHFFFAOYSA-N 449.580 4.770 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@@H](F)C1 1359067683 XRJQKEQOWSWZPH-RQBNJVACSA-N 440.563 4.871 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1Cc1ccc(CC)s1 1359074189 UYYCAXAHHXHCDE-XMMPIXPASA-N 436.581 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(=C)Cl 1359108500 QYZKEMFOYFMFEK-UHFFFAOYSA-N 425.758 4.871 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@@H](C)[C@@H]1C 1359132480 YNBJTUMQACVAAO-ROUUACIJSA-N 439.585 4.523 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCCC(C)(C)C2)CC1 1359162644 YIHRGSIMMRXSCS-UHFFFAOYSA-N 444.023 4.886 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1359223602 QDRMIGDMLJEYNM-TZIWHRDSSA-N 425.533 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@H]1C(C)C 1359235444 ZUWKCDADXCLXBZ-XXBNENTESA-N 436.556 4.800 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)c1ccccn1 1359254057 CXPOYNJPZBMAJD-UHFFFAOYSA-N 442.567 4.847 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1C 1359274514 PQIMSDKUCPDPAR-AABGKKOBSA-N 429.609 4.965 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@@H]2CCOC2)CC1 1359339436 FQROJYCOZNYUID-GOSISDBHSA-N 433.021 4.771 30 10 IJEE C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccc(Cl)cc1 1360548891 HTTSMIIIPFMOBQ-UZUQRXQVSA-N 436.947 4.591 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2COC)nnc1-c1ccco1 1435497489 KFICOYRCAXJYHA-UHFFFAOYSA-N 432.933 4.645 30 10 IJEE CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C#N)c3Br)c12 1436897325 HQWPCAWFSLVSPP-UHFFFAOYSA-N 425.286 4.939 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)OC(C)(C)C)CCC2(C)C)cc1OC 1438633705 PRQJZXJLMDQIOC-ZRDIBKRKSA-N 444.572 4.521 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1ccc(Br)cc1 1450274234 QIUBOSKSOGNSPV-NQIIRXRSSA-N 440.385 4.746 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)NCC(=O)c2cc3ccccc3s2)c1 1455051834 ALWZZKKZMWCTCU-UHFFFAOYSA-N 426.497 4.965 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1cccnc1 1458880558 ZFFUELXZFPCLJE-MRXNPFEDSA-N 434.443 4.551 30 10 IJEE C=CCN(C(=O)c1cc(C)cc(Br)c1)[C@H](Cc1ccccc1)C(=O)OCC 1458994942 GRBWLEUHZBZVSM-HXUWFJFHSA-N 430.342 4.560 30 10 IJEE Cc1ccc(N2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c(C)c1 1460483756 FAESGMCQVWBRLF-LJQANCHMSA-N 436.625 4.655 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](c2ccccc2F)C2CCCC2)c1 1463283510 HUGXEJJBBGXFNW-IBGZPJMESA-N 437.334 4.670 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(S)nc3c2)c1 1464869144 LCDFKPHCATUANB-UHFFFAOYSA-N 439.540 4.549 30 10 IJEE C=CC[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccncc1 1468883894 ICPHHQZCIJYOPS-CTNGQTDRSA-N 436.556 4.927 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(Br)cc1 1468921111 QSPBQILRSHJNIL-HKUYNNGSSA-N 446.776 4.745 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1471019926 MNRHXYMTCFGVTK-OFCAXSSNSA-N 431.552 4.700 30 10 IJEE N#CC1(c2ccccc2)CC(N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 1474473842 DAFBTTURRTXRSL-ZCDLSOSASA-N 439.275 4.715 30 10 IJEE COc1ccc(C2(CNC(=O)Nc3ccc(Br)c(C#N)n3)CCCCC2)cc1 1476945800 GHAMZRAOBPFGHL-UHFFFAOYSA-N 443.345 4.748 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507521993 FBKISSLUAHFWDD-HSALFYBXSA-N 433.600 4.906 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1507575877 ULHNYRAKBYFCHX-YLJYHZDGSA-N 430.980 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 1507673702 ZHIRZVMSKJBCOT-OAQYLSRUSA-N 440.538 4.844 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507697894 NXJWKSDHNWWIBY-DENIHFKCSA-N 429.008 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCCc1ccnc(C(C)(C)C)n1 1507762515 UYPYPJOUOXGWLZ-RUZDIDTESA-N 432.572 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)c(F)c1 1507800283 ZOOFCYLZUGTPRU-AVRDEDQJSA-N 440.519 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507821499 DNTFFOONKVKUIG-OZXSUGGESA-N 438.616 4.584 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)[C@H](C)C1 1507838787 XYKLUFYJCOSXEE-WOJBJXKFSA-N 436.556 4.802 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1507931696 DHFGSMUOGDJWGS-DFBJGRDBSA-N 437.588 4.713 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCc1cccc(OC)c1 1508006509 FPSZRFNJGOHOOU-UHFFFAOYSA-N 433.581 4.789 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1508109566 UAXVALXQPPDKEL-HSZRJFAPSA-N 438.616 4.875 30 10 IJEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@H]1CC 1514252928 CGSGEHLIAUUNHS-HYBUGGRVSA-N 435.597 4.943 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1CC[C@H]1CCCCO1 1518009548 COYYKGFNFGDOMY-LJQANCHMSA-N 443.979 4.696 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c(C(=O)OCC)c1C 1524508720 LBQHKXUIAVGMMH-DLBZAZTESA-N 445.512 4.847 30 10 IJEE C#CC[C@]1(C(=O)O[C@H](C)c2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1527986989 AGZRCOXXTKINLA-QVKFZJNVSA-N 441.446 4.982 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)sc1Br 1529107964 WODGDUMSLOTPDC-UHFFFAOYSA-N 431.124 4.688 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H](C)Sc2ccccc2S(=O)(=O)CCC)cc1 1529136073 RGFABJWUCZAISM-KRWDZBQOSA-N 448.631 4.820 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2c3ccccc3CC[C@H]2N2CCCC2)cc1OC 1529906262 KWZZOIVIHHOWIA-ZFWYXNALSA-N 432.564 4.541 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(CC2CC2)c2cccc(F)c2)nnc1-c1ccco1 1535262015 VHZNMNXAYGFGBZ-UHFFFAOYSA-N 426.517 4.789 30 10 IJEE C#C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1F 1535504490 GSYCDQOBWGYMAB-QUCCMNQESA-N 448.897 4.717 30 10 IJEE CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1537067237 COEWVIJKCFGPRZ-SIBVEZHUSA-N 427.548 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(CC)C1CC1 1538971674 HSIDFYKIVQURNE-MOPGFXCFSA-N 444.023 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(F)(F)F)c1 1539035293 OOECNUPZPWWRHQ-KFKAGJAMSA-N 434.506 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccc(Br)n1 1539159158 RVAMCAVUQMKKCS-UHFFFAOYSA-N 438.373 4.518 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(C)CCCC2)CC1 1539462678 LCBQDGPNOYPKGR-UHFFFAOYSA-N 444.048 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CC#N)CC1 1539617371 WBXUMOMFYCDDNU-HJOGWXRNSA-N 433.600 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1539677450 CMTGMJQUBXHXCC-PGRDOPGGSA-N 430.980 4.894 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCC(C)(C)O)CC1 1539882364 IZVWCIZVWJJSCG-UHFFFAOYSA-N 426.605 4.933 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCCN2CC)CC1 1539897460 DYYBQMFTOYBYTQ-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1539973858 FTFXTCYAYJIPGN-HXUWFJFHSA-N 439.633 4.645 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC(=O)NC)CC1 1539985592 LSJWVVNYWMSCDU-UHFFFAOYSA-N 441.645 4.594 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)c1nccs1 1539997490 NTTKKPAUYXPUMR-SFHVURJKSA-N 433.585 4.793 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)cc1 1540853011 HIJPACUWUBPBJR-NHCUHLMSSA-N 447.023 4.732 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cc(Cl)ccn1 1540855488 VYPJJLYXUDBRAS-UHFFFAOYSA-N 432.753 4.887 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(CN2CCC(C)CC2)c1 1542693301 JSAWUODFSUHXMS-UHFFFAOYSA-N 444.579 4.599 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 1543628927 VGQPMPRQGSZBGS-SFHVURJKSA-N 449.910 4.665 30 10 IJEE CC(C)OCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1543866774 GSSUDGRKSFRMPQ-GAJHUEQPSA-N 427.618 4.686 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)c2c(C)noc2C)CC1 1554682510 DOAUWSFQMXKGNM-SSOJOUAXSA-N 448.571 4.621 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O)c1ccc(F)cc1 1558986874 AHAUIERBAFFQSN-OAHLLOKOSA-N 438.673 4.782 30 10 IJEE N#Cc1cc(Br)ccc1CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1559745095 GBNSSSPPYCVNKT-GOSISDBHSA-N 425.248 4.913 30 10 IJEE C=CCOc1c(Cl)cc(CNC2(c3cccc(OC)c3F)CCOCC2)cc1OC 1560457062 OZNNKYFCVTXYOZ-UHFFFAOYSA-N 435.923 4.857 30 10 IJEE O=C(N1CCC[C@H](C2CCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)C1)C(F)(F)F 1560935574 BFDXTXFZCOPCCN-HNNXBMFYSA-N 440.403 4.857 30 10 IJEE Cc1sc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)nc1C1CCCCC1 1562825031 AIGJVICBMJKGIU-UHFFFAOYSA-N 427.549 4.864 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1564599530 MKXWPFGVSOYVFN-DLBZAZTESA-N 425.248 4.769 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1565392372 JDWVPSGZYLSAEU-LSDHHAIUSA-N 427.998 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@](C)(CC)O1 1587603274 IPJWPKKASXERTE-QYWGDWMGSA-N 431.378 4.513 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H]1CCCO1 1587706187 MTIPXWYRXKIGER-HXUWFJFHSA-N 435.597 4.796 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H](C)c1nccs1 1587769714 MIVJAZMNUUMUGJ-MRXNPFEDSA-N 429.540 4.647 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1587883795 MOKJNURBTINXGW-QHCPKHFHSA-N 446.599 4.643 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1=CCCCC1 1588105236 QYMNEUJODJXELR-UHFFFAOYSA-N 437.385 4.979 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1589008611 XSNYSMBDRRNLTQ-HKUYNNGSSA-N 444.670 4.646 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccs1)C(C)C 1589026613 HZCHKMLMGURKRI-UHFFFAOYSA-N 432.018 4.836 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1nc(C)c(C)s1 1589642199 YQQDVIWINZSNSL-UHFFFAOYSA-N 447.612 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCCN1C1CC1 1589687937 UKVKOXAHVPLJMK-HSZRJFAPSA-N 437.632 4.893 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1593840082 ASVYYESZSNKAMQ-RXVVDRJESA-N 444.023 4.781 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCc2ccccc21 1594448623 JXEVOWCRVVPHQL-FQEVSTJZSA-N 430.556 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1594511574 RNERQSZEPJZMHJ-YADHBBJMSA-N 438.616 4.537 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1594793030 FDIXYMTUZWOXSY-GOSISDBHSA-N 442.947 4.750 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1C 1595085600 YKPGCACMWLVPHE-CVDCTZTESA-N 448.615 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1Cc1ccnc(C(F)(F)F)c1 1595161836 MWOOEQQCGJIWJI-UHFFFAOYSA-N 433.503 4.947 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C)c(C)s1 1595179102 XRDJARRNAPXIJJ-INIZCTEOSA-N 427.549 4.857 30 10 IJEE CC(C)(Cn1c(Cc2ccncc2)nnc1N(CCC#N)CC1CC1)c1cccc(F)c1 1597772421 BRVUKUYJIZQXQW-UHFFFAOYSA-N 432.547 4.511 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(-c2ccc(Br)s2)s1)C(=O)OCC 1598350410 MVRFPNOVYDOWOR-LLVKDONJSA-N 428.373 4.867 30 10 IJEE C=CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)C(=O)OCC 1611408069 FTIIXMOPVQCJKL-CGHXZOIASA-N 426.516 4.959 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc2cc(C)cnc12 1621740366 HICDWEGANOXISP-UHFFFAOYSA-N 449.345 4.822 30 10 IJEE N#Cc1ccsc1NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1626073683 DPISXIAJNQRYTC-UHFFFAOYSA-N 438.503 4.837 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(Br)ccc1N 1627695084 JJVWNMDJWJEVLB-UHFFFAOYSA-N 442.126 4.761 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC(C)C)c2cc(Cl)ccc2OC)c1 1629578110 UBQVESYZKPRUSA-OAQYLSRUSA-N 447.984 4.663 30 10 IJEE C=CCC[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1632366811 BLRFZTNXKAZIDW-KRWDZBQOSA-N 436.386 4.629 30 10 IJEE C#CCC1(NC(=O)N[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CCCCC1 1633579191 ICLROSSDQXJNJZ-FPOVZHCZSA-N 433.955 4.555 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(Cl)cc1F 1635191710 NYBPBTCWWAIZGL-CTNGQTDRSA-N 442.918 4.804 30 10 IJEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C)C(=O)OC(C)(C)C 1636915382 UESKPGHDLBZNKO-SFHVURJKSA-N 440.506 4.649 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC[C@H]1Cc1ccccc1 1637150329 LYZIFROIMLOUTR-GOTSBHOMSA-N 432.564 4.884 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(F)cc1NC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 1637296769 LPMGTWHNHHKJKL-OAQYLSRUSA-N 436.870 4.844 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCc3nccn3CCCc3ccccc3)c2c1 1639593547 GBTUVOSPFNSIJM-UHFFFAOYSA-N 427.508 4.565 30 10 IJEE C=CCC1(NC(=O)C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)CCCC1 1640546139 SFGYEKKQCCVNGT-MRXNPFEDSA-N 440.506 4.935 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)c2ccccc2Br)nc2ccccc2c1=O 1640657143 BGPDKGVKMRZRFN-ZDUSSCGKSA-N 429.339 4.709 30 10 IJEE C=CC[C@@H]1N(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CCCC1(C)C 1642918061 VFDXEFWXAASZKP-QHCPKHFHSA-N 449.551 4.673 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 1643381382 OJWKLNMYRHQDON-JKSUJKDBSA-N 432.659 4.964 30 10 IJEE C=CCn1c(SCC/C=C/c2cncc(OC)c2)nc2sc3c(c2c1=O)CCC3 1643465076 WQVYRGVHJJLXDQ-QPJJXVBHSA-N 425.579 4.732 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](Nc2ncc(Cl)c(C)c2C#N)C1=O 1651044961 FQJVWWFHYCUHFB-QGZVFWFLSA-N 447.764 4.902 30 10 IJEE C#CCN(C(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1652387189 SLXYSLNHHWICKX-VWLOTQADSA-N 430.548 4.730 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)N1CCc2sccc2C1 1653289988 PXRASFAHCDHIHX-CQSZACIVSA-N 437.378 4.611 30 10 IJEE C=C(C)COc1cc(CNc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)ccc1OC 1658086957 OVCFKLUXVKFBOG-UHFFFAOYSA-N 445.459 4.564 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(I)ccc1Cl 1659867011 JRRDENSJPSNPLN-UHFFFAOYSA-N 444.631 4.740 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl 1664579572 YRNZADLMGYEVAO-UHFFFAOYSA-N 429.904 4.695 30 10 IJEE C=CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(OCCC2CCCCC2)c1 1664790006 TXHKPBBAKKVKSN-KRWDZBQOSA-N 425.367 4.857 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 1668761056 QQNJKYUUQITERZ-SFHVURJKSA-N 433.430 4.587 30 10 IJEE C=CC[C@H]1CCCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)C1 1673996020 ARMYYPJFXLPTMG-QFIPXVFZSA-N 435.568 4.982 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@@H]2Cc2ccc(OC)cc2)cc(OC)c1OC 1676274600 DHSOYHWFLBTAJW-JOCHJYFZSA-N 438.568 4.748 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1678533396 GSFAAUAWVLOKIJ-VWLOTQADSA-N 439.515 4.792 30 10 IJEE C#CC[C@H](NC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1680515177 JYIJWPAFHCPIPC-PKOBYXMFSA-N 444.375 4.519 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(OCCCN(C)C)CC1)c1ccc(C(F)(F)F)cc1 1680633326 MNNXSDVWGSWOIS-NRFANRHFSA-N 441.538 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1csc(C(C)C)n1 1689829303 XENHSAWFUZYYJQ-DLBZAZTESA-N 441.576 4.838 30 10 IJEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1689955699 PXCVACPOKBFNOE-ROUUACIJSA-N 427.474 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cccc(C(F)(F)F)n1 1690260556 PBCNAWCHAHELIL-UHFFFAOYSA-N 445.445 4.538 30 10 IJEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1ccco1)C(C)C)c1ccccc1 1690326247 XGERRIKVZICOAG-GMAHTHKFSA-N 436.556 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](COCc2ccccc2)C1 1690426233 HLXXNXIHNNRCSJ-QFIPXVFZSA-N 431.584 4.986 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1c(C)noc1C 1690453813 JSCOKAMGXBDVPG-UHFFFAOYSA-N 447.381 4.644 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(Cl)ccn1 1690466164 ZMJZBVNBJAOPEV-UHFFFAOYSA-N 435.963 4.558 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1690478212 OYLVQHBYCFUSSL-UHFFFAOYSA-N 427.568 4.525 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1690499989 IDFKZXRBIFJXJF-XLIONFOSSA-N 432.515 4.908 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1690509562 ADZINSXFTWJZMD-GHTZIAJQSA-N 437.613 4.609 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN(C)C1CCCCC1 1690517447 FQKXTRTWSHWICE-UHFFFAOYSA-N 433.604 4.612 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN(C)[C@@H](C)CC)C1CC1 1690539092 UYAGCUNSJSYGHB-INIZCTEOSA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CC1(N(C)C)CCC1 1690574303 VSCBUOGKTSPKJV-UHFFFAOYSA-N 437.613 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1ccc(NC(N)=O)cc1 1690577792 NBRLTQWEVJBGRS-UHFFFAOYSA-N 438.601 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC=CCO1 1690579734 RKBRJMZORCIQSB-NRFANRHFSA-N 436.581 4.765 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1690633146 LSHOQBVASFDAHZ-CTNGQTDRSA-N 439.604 4.823 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(C(F)(F)F)n1 1693247816 FXOXVHYYNBXQKW-JOCHJYFZSA-N 440.473 4.846 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705527080 QRLLHLQCTGSHHI-JOCHJYFZSA-N 444.627 4.711 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](c1ccco1)N(CC)CC 1705609012 NCIFJGGKQULXGW-QFIPXVFZSA-N 442.567 4.629 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(C)(C)CC)CC1 1705637456 YEJUJLNBPZWQQM-UHFFFAOYSA-N 437.632 4.561 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1705811836 LPOCHAAPSIBXFA-FPOVZHCZSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1705814200 GUAYWFQSZRDNAN-UHFFFAOYSA-N 449.555 4.518 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1Cc1ccnc(OC2CCCCC2)c1 1705845722 DLOYLLTVLYBMFJ-UHFFFAOYSA-N 447.583 4.655 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@H]1CCC2(CCCCC2)O1 1705860496 JGCHFMFGSCSUDN-HSZRJFAPSA-N 449.599 4.761 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC1(SC)CCOCC1 1705861873 RHOUXBFZNHQCSV-OAQYLSRUSA-N 442.629 4.625 30 10 IJEE CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1708772957 HBYZGHHENBVSSJ-WSTZPKSXSA-N 445.011 4.542 30 10 IJEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1712727111 BAFSLNHHZSEHOB-RZQQEMMASA-N 439.610 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCOC(C)(C)C 1722302344 RNYRNPKUABZDRA-SFHVURJKSA-N 432.996 4.525 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](CCC)C1 1722315289 UMYDMXACJIKJEK-HNNXBMFYSA-N 437.407 4.578 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCC1CCOCC1 1722325195 GSSAAAZEFFXHNF-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H]1CCO[C@H](C)C1 1722344313 OBGLOMVLXWQFGD-MJGOQNOKSA-N 435.597 4.652 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCCCC1 1722393192 UZHNPIPCIIURPE-UHFFFAOYSA-N 444.410 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H](OCC)C(C)C 1722468203 LIWPLKQVCQYXSO-GBXCKJPGSA-N 446.542 4.990 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCCN1CCCCCC1=O 1722468252 HGYRKTYCPBKWEU-YIXXDRMTSA-N 447.627 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC(C)(C)C1 1722497507 WXYPHBZLBPKRRO-UGKGYDQZSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1722520215 YJPFPDNOTVLDDK-OAHLLOKOSA-N 427.911 4.744 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722546166 VSFPTEWXLDIPPF-MAUKXSAKSA-N 427.763 4.726 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCOC[C@H]2C)CC1 1722562575 DYPYEYBYMSAOLS-CVEARBPZSA-N 449.368 4.676 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(F)cccc2OC(F)F)CC1 1722567277 RPLZWWQDAIDGMT-UHFFFAOYSA-N 449.502 4.579 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@H](C)C2)CC1 1722575310 FGACWRYFSSSVRF-IBGZPJMESA-N 443.039 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722589038 JQFDXAKYWVMPNR-AUSIDOKSSA-N 438.616 4.678 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(C)(C)C)C1)c1ccccc1 1722596520 KHKZWKXGKKCHHW-FCHUYYIVSA-N 435.616 4.633 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722599988 IPQJITORDXYYES-NRFANRHFSA-N 440.979 4.749 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@H]1CCCC1(C)C 1722655777 QRXGFBDSSGVMEQ-OAQYLSRUSA-N 427.556 4.626 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@@H](C)C1 1722735555 RBHGZZCPUGCCMI-HOTGVXAUSA-N 434.700 4.992 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722740694 RDYMMBVSRFWMMQ-FQEVSTJZSA-N 431.694 4.946 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740577963 UVVKJNVDRDGPMQ-QHCPKHFHSA-N 446.599 4.525 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1740714483 ZUGOUJWTTXHXNU-RXVVDRJESA-N 438.622 4.648 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740719644 PLRQIARBXUSKKQ-QZTJIDSGSA-N 430.568 4.530 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2sccc2C1 1740721720 RHXCDQLPHJCCNE-UHFFFAOYSA-N 445.013 4.501 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccc(C)s1 1740721724 RMSKLTQOOOTUCF-UHFFFAOYSA-N 440.638 4.847 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(Cl)cc2)CC1 1740819265 KIGPWZJPTYPJQE-UHFFFAOYSA-N 432.753 4.894 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)Oc2ccccc2)CC1 1740819423 QDIDZEBZUVJGCL-MRXNPFEDSA-N 442.361 4.660 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1740848924 UPDGDXCKTYTILL-PCCBWWKXSA-N 430.637 4.948 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 1740855008 KIKPLGWAYFTTRN-XMMPIXPASA-N 449.643 4.989 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)OC1CCCC1 1740883642 BGGYILZZKDBTLC-UHFFFAOYSA-N 449.393 4.919 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1740907311 STQRAISRUALDMX-UHFFFAOYSA-N 449.958 4.759 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1740913573 PMZQKEDATSOBEW-QHCPKHFHSA-N 437.632 4.749 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1C[C@@H](C)O[C@H](C)C1 1740925911 SEVGCGPPPLIZRF-RTBURBONSA-N 432.572 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCOC1CCCCC1 1748641996 LTOFQZSUQXOZJM-RBUKOAKNSA-N 428.552 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC1(COC)CCCC1 1748647970 VWUJARAHZZVPNX-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H](c1ccsc1)N(CC)CC 1748677061 BSMPNEZRSUYCTA-XMSQKQJNSA-N 439.604 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cc(C)on1 1749078421 KBTUQPAHIWQCTC-OAQYLSRUSA-N 446.338 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1ccco1 1749121336 MFUMVUBNZFNTJE-MMOPVJDHSA-N 437.500 4.625 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1749127989 QKRKPOFKEHEVCU-DENIHFKCSA-N 428.552 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1749156299 UUDVUBATLKATJW-DEOSSOPVSA-N 448.615 4.832 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749252200 OTEGSIQFOYHZTF-MRVWCRGKSA-N 432.849 4.944 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749252538 SARIWUDJYCZCMM-WOJBJXKFSA-N 445.007 4.919 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCOCC(F)F)CC1 1749292020 NLUPOLIBYZVMGH-HNNXBMFYSA-N 426.895 4.510 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1749330977 AKESCNRQWIEGIQ-UHFFFAOYSA-N 429.565 4.506 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1749358812 QRMPYKFEBXFDHT-UHFFFAOYSA-N 440.979 4.614 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749400662 JVNMODJOFIXEJJ-UHFFFAOYSA-N 444.023 4.573 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749400757 MGQNVMDWDIRUNM-JXQFQVJHSA-N 445.007 4.651 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC=C)C1CC1 1749402297 LKWIANIUGKUQHX-LJQANCHMSA-N 429.609 4.904 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@](C)(O)c1ccccc1Cl 1749551408 ZIAYMYXGKVKTSP-QFIPXVFZSA-N 428.989 4.971 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1749564160 QSSINOINABKRSM-OALUTQOASA-N 441.576 4.699 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)C(C)C 1749586283 OMLJQOGBDTZDEB-HSZRJFAPSA-N 428.964 4.834 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCCc1nc(C)cs1 1760298487 KAAGFRNNDQVRGR-RUZDIDTESA-N 449.624 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1OC 1760331382 RZDASTMYFGISAS-PKOBYXMFSA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1760372393 HVWWBJZOCSXKMH-UHFFFAOYSA-N 442.354 4.619 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCC[C@H]2CC)CC1 1760405678 BRQOLVQGWOWLLX-JOCHJYFZSA-N 441.595 4.663 30 10 IJEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)C1CCCCC1 1760431866 BUIDYCYRNKDQLO-UHFFFAOYSA-N 444.649 4.672 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC 1760483864 FGONDVLLESGEAS-TZIWHRDSSA-N 430.568 4.565 30 10 IJEE CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 1760985543 CGOHXYPKPYNUIM-UHFFFAOYSA-N 437.979 4.666 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCSC2)cc1 1761086148 GLLXBZBLFOCHMC-OALUTQOASA-N 427.618 4.861 30 10 IJEE COc1ccccc1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1768950472 CGMPFIFQELTROL-SJORKVTESA-N 435.597 4.927 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1c(C)ccc2ccccc12 1860990258 GOBHKFLNULNBDK-UPVQGACJSA-N 438.612 4.981 30 10 IJEE C=CCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1861548751 HMBQCIVJCQIJKO-AIIPKAINSA-N 426.944 4.519 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1)c1c(F)cc(F)cc1F 1862457784 YAWOYOZDEVVHER-IBGZPJMESA-N 431.341 4.615 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2C(=O)O)c1 1862493562 SQCYNKRNTHKVGB-HSZRJFAPSA-N 441.483 4.780 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F 1862512250 QUMASZZOHJCTRL-IBGZPJMESA-N 446.862 4.930 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1)c1cccc(Br)c1 1862523172 BKICNGUNLWOWHN-IBGZPJMESA-N 442.309 4.676 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1F 1862523437 HMQLXXWAWUGJHG-XIKOKIGWSA-N 432.289 4.965 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1F 1862639273 UVVAWKQVDMJYGM-WNSKOXEYSA-N 447.462 4.879 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 1862673594 FOAUPJJSAHJGFO-WNSKOXEYSA-N 447.462 4.879 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)c1 1862699713 WXYMYRDALSNODP-XMMPIXPASA-N 445.490 4.964 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3F)C2=O)c1 1863032524 RTRIUJUOMRJSHH-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863105092 QUHJBPRKQFYFOL-UHFFFAOYSA-N 442.544 4.863 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1863508539 ATHQBDBDGQGPSA-UHFFFAOYSA-N 443.607 4.732 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccccc1F 1864064376 PFSAMEKBWOFCFX-NRFANRHFSA-N 442.579 4.819 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(C)cc3C)sc2c1 1865956729 MIEYDHYYKGXLDO-UHFFFAOYSA-N 441.578 4.528 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2ccc(Br)o2)c(Br)c1 1866036271 RDVNFIREKSDUOD-UHFFFAOYSA-N 448.896 4.691 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)nc(C(C)C)n1 1869091963 ZJDNBALVXPDSBG-OAQYLSRUSA-N 434.584 4.947 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2C)c(=O)cc1CNc1ccccc1 1871091324 UYHJBZLFRLQHHE-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE COC(=O)c1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1 1871345809 PQJSEELBILOKLE-QRVIBDJDSA-N 441.483 4.750 30 10 IJEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871363133 IIKPPGOZDMHSIG-CHHVJCJISA-N 441.650 4.616 30 10 IJEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c1OC 1871404252 KFBZBRZPVWBRFV-ZGWJWYQGSA-N 445.471 4.726 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C#N)cc4)c3C)C2=O)cc1 1871417611 MDXBXQGHVBHXBZ-QRVIBDJDSA-N 425.440 4.849 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)Nc1ccccc1C(=O)O 1871430568 KQMKDTQMWMTIBV-NHDPSOOVSA-N 449.846 4.672 30 10 IJEE Cc1c(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccco1)C2=O 1871447852 FEIRXLNWPWNLOZ-GQFJFNLSSA-N 434.404 4.518 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871907472 UTDOYXHDSFGBNE-JOCHJYFZSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872168976 TUZYJWJQXKHRQN-FQEVSTJZSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872529939 YQFOHNYVMUGCJN-QFIPXVFZSA-N 446.638 4.549 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)c1 1872771047 KSEXJWHRXHJNGS-GOSISDBHSA-N 444.516 4.877 30 10 IJEE N#Cc1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4Cl)CC3)cc2)c1 1872884861 UINNASKBUHQTNZ-UHFFFAOYSA-N 430.939 4.786 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCC(C)C)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330727 QPDMIOMEPYKXPE-UHFFFAOYSA-N 446.547 4.803 30 10 IJEE CCCc1nnc(SCc2ccccc2)n1/N=C/c1c(C(=O)O)[nH]c2cc(OC)ccc12 1873501142 LQRBVIRLKDMUCX-ZMOGYAJESA-N 449.536 4.593 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615795 IUGXOZXFEOAEAH-UHFFFAOYSA-N 445.498 4.672 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C(C)C)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873667851 RGHASOWKHXZUPF-UHFFFAOYSA-N 446.599 4.523 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C)cc1 1874232202 FYONBSCFWNJPKS-WGOQTCKBSA-N 444.560 4.672 30 10 IJEE C=CCSc1nnc(Cc2ccccc2)n1/N=C/c1cc(Br)ccc1F 1874418206 FFHHCEPBOFFTBX-LPYMAVHISA-N 431.334 4.931 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 1874446376 XMADHISFOXCHLY-WQZUMXOESA-N 428.945 4.706 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2F)o1 1874481945 QVSGESMNXYUZJK-FSJBWODESA-N 430.505 4.659 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(F)cc1 1874504053 IJTRFMHMFSPDHN-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)COCc1ccccc1 1874692994 HZQYKUXJBKAPPM-ZRDIBKRKSA-N 447.443 4.622 30 10 IJEE COc1ccccc1CC(=O)Oc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 1874694378 ZRVHKRMMZSBFPX-ACCUITESSA-N 432.472 4.757 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2cc(OC)ccc2OC)CSc2nnc(CC)n21 1874838357 VVKQAEIOTAMPDP-IBGZPJMESA-N 446.617 4.920 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)[C@H]2CCCO2)c(OC)c1 1875143622 JCKZCYAWEBPECF-AQKVLALTSA-N 430.884 4.646 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)ccc1OC(=O)[C@@H]1CCCO1 1875192161 WWPSEWVTHMBGAM-LUFJGRFYSA-N 432.472 4.838 30 10 IJEE C=CCC1(NC[C@H](CNC(=O)OC(C)(C)C)C(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924553306 CNIDDFYWEYSILC-IBGZPJMESA-N 439.641 4.719 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CCCB2OC(C)(C)C(C)(C)O2)Cc2ccccc2)C1 1953264892 WMBDXGLOOIDQRE-UHFFFAOYSA-N 430.398 4.590 30 10 IJEE C#C[C@H](C1CC1)N(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1993836602 VSESWLNCWIKMHB-IMDCKVJKSA-N 444.575 4.810 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CC[C@@H]1CNC(=O)OC(C)(C)C 2006112534 JSXNCOLDTVOGHL-MWTRTKDXSA-N 431.533 4.634 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 2020331778 HVMHCGGUIAOXSP-UXHICEINSA-N 439.641 4.719 30 10 IJEE C=CC[C@H](COc1ncc(Br)cc1C(F)(F)F)NC(=O)OC(C)(C)C 2078079062 PZKQQEZASZDGHZ-LLVKDONJSA-N 425.245 4.711 30 10 IJEE O=C(O)c1cnc2c(-c3ccc(F)cc3C(F)(F)F)c(C(F)(F)F)nn2c1Cl 2081153821 YEMMNBDRPLFGNY-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)OC1(C)C 2178296826 LKUZKIMSEMDWCO-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N[C@@H](C#N)C2CCCCC2)c1 2181054470 XQIONABXPRTPPC-KRWDZBQOSA-N 436.350 4.998 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)Nc2ccc(Br)cc2C#N)C1(C)C 2186214362 OUULJJCKJIKWMJ-CJNGLKHVSA-N 436.350 4.589 30 10 IJEE CC1(C)OB(c2ccc(Oc3cc(F)c(Cl)cc3Br)nc2)OC1(C)C 2232317080 XHWOGXSFHQRUTL-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE N#Cc1ccc(NC(=O)Nc2ccc(I)cc2)c(Br)c1 2235464611 OZDPCZBUSCGWJY-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@H](O)C#Cc1ccccc1Br 2235725651 DOGCJIDFPGZCCB-IEBWSBKVSA-N 448.382 4.758 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@@H](O)C#Cc2ccccc2Br)c1 2235729607 JHQNBVGFHUHUJG-FQEVSTJZSA-N 430.342 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C(=O)C#Cc2ccccc2Br)(C(F)(F)F)C1 2235735203 ZDOMEBSFOXCWEW-SFHVURJKSA-N 446.263 4.559 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2ccccc2Br)c2ccccc21 2235747274 OPTSRWSCRGDBTO-MJGOQNOKSA-N 427.342 4.667 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)OCCC(=O)O 2261827064 FPFWUIKIABNRIA-OFVILXPXSA-N 447.572 4.799 30 10 IJEE C=CCCC1([C@H](N)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2266311073 WQPNHAMPFPGIDS-QGZVFWFLSA-N 425.367 4.661 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(OC)c(Br)c1 2291126202 CNJYENTZPCLSBC-OAQYLSRUSA-N 435.314 4.763 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccc(Cl)cc1 2296135843 DNFNOPFKYSIWDO-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2296295460 DDGQVTCPKFKNON-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CCC1 2296298636 MDNZFXZYVGGDLC-IBGZPJMESA-N 435.406 4.864 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccc(Cl)cc1 2296321150 FERMSYRMVBCJOY-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE CCOc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 2296957082 SEQRHRITMVDLQC-UHFFFAOYSA-N 440.546 4.633 30 10 IJEE CCOC(=O)c1c(C)oc2c1C(=CN=c1[nH]c3c(s1)CCCC3)C(=O)c1ccccc1-2 2297497657 ODYJYBNBAVRPLS-UHFFFAOYSA-N 434.517 4.838 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@@H]3CC[C@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2301449611 SQRMVSFDXNIADB-NHCUHLMSSA-N 449.360 4.596 30 10 IJEE CCCCCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCOC)c1 2314478541 UHKUVUWWNNOOAB-VWLOTQADSA-N 449.547 4.880 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccc(C)cc3)NC2=O)ccc1O[C@@H](CC)C(=O)O 2314934996 LXHFLFCCWDMGAX-KRWDZBQOSA-N 440.521 4.527 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nncn2N=Cc2c(Cl)cccc2Cl)c1 2321218463 UESBJGJGWLRHED-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2)ccc1OC 2322238543 VNILNTHCJLIBMS-UHFFFAOYSA-N 446.960 4.521 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1c(Cl)cccc1Cl)C3=O)CN(CCN(C)C)CO2 2322335749 GKURMDWWQZQZIW-UHFFFAOYSA-N 433.335 4.632 30 10 IJEE CCCOc1ccc(C=NNc2cnn(-c3ccc(C)cc3)c(=O)c2Br)cc1 2322634632 YWUYLGNQEXIUCW-UHFFFAOYSA-N 441.329 4.538 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(OC)c(OC)c2)C3=O)c1 2322723000 WZYMWJIOFJFSBS-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCC(N)=O 2324070660 YBFUGXCOLURWFU-UHFFFAOYSA-N 446.341 4.515 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 2324684673 MUIYNLNJLAPHPC-UHFFFAOYSA-N 448.475 4.558 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)OC(=Cc2cccs2)C3=O)s1 2324800557 BRIXETXHEWZVGV-HNNXBMFYSA-N 441.534 4.574 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)cc1 2325235119 RQQGTICBQUZOOL-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 2326257430 WIQKSJONNMQWFB-HFZDXXHNSA-N 442.600 4.993 30 10 IJEE CCC(=CC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(OC)cc1 2329552279 SNIIMPBSCFLEJW-SANMLTNESA-N 439.515 4.856 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1 2330959170 QYSRWRLIOYBRTO-UHFFFAOYSA-N 430.522 4.657 30 10 IJEE COc1cccc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)c1OC 2331142938 WDNLSSCRFHSQIQ-UHFFFAOYSA-N 436.459 4.531 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)c3cnccn3)c(OC)c2)cc1 2331188544 SGIYJEKHPBZAQM-UHFFFAOYSA-N 438.867 4.653 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C1CCC1 2331484320 CTQYLAHUUVPKBB-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1c(F)cccc1Cl)NC1CCCCC1 2331530304 RQMGZVHQDUHDOR-UHFFFAOYSA-N 449.983 4.761 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc([N+](=O)[O-])c1OC(=O)CC 2331624867 JJIJVTIVFUJKDI-UHFFFAOYSA-N 427.453 4.830 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccccc1F 2331674950 RVZHACHRDJZAHS-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c(F)cccc2Cl)c1 2331729276 YHGYIOACQBGZRF-UHFFFAOYSA-N 443.935 4.869 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2C)nnc1C1CC1 2331733018 GGQCNTKETLRMFI-UHFFFAOYSA-N 447.564 4.642 30 10 IJEE C[C@H](CCN=c1ccc(C=CB2OC(C)(C)C(C)(C)O2)c[nH]1)CCNC(=O)OC(C)(C)C 2339538478 XTOPBRODZXDCFB-GOSISDBHSA-N 445.413 4.501 30 10 IJEE C[C@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339574454 IGHBRPWFVQLENM-KICKTSRDSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CC=CC[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339597948 WGSCKNSJNRHMLC-JKIKYLSZSA-N 442.365 4.671 30 10 IJEE CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 21248275 KWHYOVBXGQXDCM-RDJZCZTQSA-N 425.912 4.621 30 10 IJEE CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NC[C@H]2CCCO2)cc1 22691058 KACDCDHJVJIGLO-MRXNPFEDSA-O 438.400 4.551 30 10 IJEE Cc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n(CCc4ccccc4)c3O)c(C)c2c1 38620226 QANHGQNTSRQOBI-UHFFFAOYSA-N 426.472 4.571 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C2CCCC2)c1=N 101079426 DCIZIWADXBQKNY-UHFFFAOYSA-N 449.599 4.642 30 10 IJEE COc1cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)cc([N+](=O)[O-])c1OCc1ccccc1 169893439 BWUCSFDXENGXBA-CFRMEGHHSA-N 431.452 4.813 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2C(CC)CC)cc(Br)c1OC 169910362 VIUVEDHNXJZTQL-GRSHGNNSSA-N 427.368 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170022790 UJCPHAQVFDCELI-IBGZPJMESA-N 441.270 4.877 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2sccc2C)s1 170107868 ORTHFLUXLCELGU-MRXNPFEDSA-N 434.583 4.523 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccc(O)cc3)ccc2O1 170130447 FYYWKFHRIFYGKC-RCDICMHDSA-N 447.512 4.556 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)c1 170198110 MBENYBUJWAQZTD-NRFANRHFSA-N 434.517 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)c(C)c1 170290339 LSODSJQOOFMCHL-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(C)c2)cc1 170343918 CABOCVGLAFQZSA-OAQYLSRUSA-N 431.444 4.548 30 10 IJEE C=C(C=O)[C@@H]1C(=O)C[C@H](C)[C@H]2[C@@H]1C=C(C(=O)O)C[C@H]2OC(=O)CCCCCCCCC 198239622 VCPVUAOJECJROT-LZGVSAPHSA-N 432.557 4.666 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCC[C@@H]1CC[C@H](/N=C(/O)OC(C)(C)C)C1 328580813 PPJPNDMGNYJXCP-GBESFXJTSA-N 425.614 4.654 30 10 IJEE N#CCCCOc1cccc(NC(=O)c2cc(I)c(F)cc2F)c1 435025968 GDLJLMJOIITQPG-UHFFFAOYSA-N 442.203 4.504 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 460952216 OCTDDHLKWDRRGZ-GOTSBHOMSA-N 447.539 4.687 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 490366934 MOUVUMCLNPYSER-UHFFFAOYSA-N 426.354 4.878 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@H]3C[C@H]12 504240377 ZXKJZOJZCOHWGC-COWNTTACSA-N 429.004 4.776 30 10 IJEE biogenic CC1(C#N)CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1 505013623 LWISRHFOWJLNGZ-UHFFFAOYSA-N 432.307 4.876 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 508462179 TUIKKLQKGUWFKZ-MRXNPFEDSA-N 436.368 4.781 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 508683717 RVWGIWYJLGHDLF-HZPDHXFCSA-N 437.371 4.603 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 508866136 YREGZUDAIDMUIZ-GOSISDBHSA-N 440.979 4.679 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 508906524 GJNIZPHNAQZOLW-OAQYLSRUSA-N 440.569 4.568 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 508939110 QMGGRUKGPWEXGI-OYHNWAKOSA-N 444.988 4.774 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 508956111 MVICZZDQSCWPAJ-OIBXWCBGSA-N 449.624 4.654 30 10 IJEE C=CCc1cc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc(OC)c1O 537637235 UESCHRQJBGXKFP-QFIPXVFZSA-N 426.944 4.731 30 10 IJEE COc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ccccc2)cc1OC 558911128 IRYJSMOKKVCTQT-UHFFFAOYSA-N 439.519 4.519 30 10 IJEE CC[C@@H]1CC[C@H](C#N)[C@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 700342185 BDPQMMPMTMCCPD-XCPNAXROSA-N 432.520 4.944 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl 729825514 JDUDUIQDWFUGCF-UHFFFAOYSA-N 447.741 4.933 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 787256852 SKVRFYNGSLGOGL-UHFFFAOYSA-N 425.558 4.560 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 789719387 OXVHXELTETWYRM-UHFFFAOYSA-N 432.973 4.839 30 10 IJEE O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 790578599 KBLSVKQXARAXJI-OAQYLSRUSA-N 446.856 4.685 30 10 IJEE C=CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124682629 LFAGYSWEMJHGID-GOSISDBHSA-N 430.595 4.869 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 1126168849 RHYHTOMEMHBVIB-UHFFFAOYSA-N 435.936 4.991 30 10 IJEE C#CCSc1ccc(COC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1 1128145430 QOHNWTCOWCEVLJ-UHFFFAOYSA-N 436.554 4.743 30 10 IJEE C=CCc1cc(C(=O)N[C@H](CC(=O)OCC)c2ccccc2Cl)cc(OC)c1OC 1133422008 OQPVLEPNWLMGHP-LJQANCHMSA-N 431.916 4.510 30 10 IJEE C#C[C@H](CCC)NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1139967128 FYALGPHDEPGQFS-NHCUHLMSSA-N 444.575 4.956 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Cn2c(-c3ccccc3)nc3ccccc32)cc1 1141331471 IJWLDIPQZUPNSL-UHFFFAOYSA-N 425.492 4.650 30 10 IJEE C#C[C@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)ccn1)c1ccc(Br)cc1 1159634881 SUWOZOBECKPJJW-HNNXBMFYSA-N 425.248 4.631 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2cccc(Br)c2)C1 1163026987 MGLNWWDLTJGMFL-MRXNPFEDSA-N 425.326 4.577 30 10 IJEE C=CCn1c(SCC[C@H]2Sc3ccccc3NC2=O)nnc1-c1cccc(OC)c1 1165781760 ISJMGLINMNEFCU-LJQANCHMSA-N 438.578 4.735 30 10 IJEE Cc1ccccc1C1(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)CCCCC1 1186356679 ACGSGFDJCRORCH-UHFFFAOYSA-N 447.398 4.810 30 10 IJEE O=S(=O)(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(C(F)(F)F)cc1 1189279903 IFVRVJITEDWDAZ-UHFFFAOYSA-N 441.368 4.873 30 10 IJEE C=CCN(C(=O)CN1C[C@@H]2[C@H](C1)C2(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1195721064 NHABDSHDHZGZHJ-BETUJISGSA-N 444.334 4.833 30 10 IJEE CCCc1c(NC(=O)Nc2ccc(OCCC(C)C)nn2)cnn1-c1cccc(C#N)c1 1207668876 HNROQJXHEIDZKF-UHFFFAOYSA-N 433.516 4.555 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 1215117495 OJSSLFSYVRSYBB-VGSWGCGISA-N 425.504 4.654 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@](C)(OC)c1ccccc1 1228605968 AGBGPKPXDXTRKI-NRFANRHFSA-N 435.337 4.848 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)CC1 1248406470 BCDFVZOKKKMQPE-IRJFHVNHSA-N 433.980 4.568 30 10 IJEE COc1ccc(Br)cc1-c1nc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cs1 1264420460 AHXUOIZYPMSDIB-GFCCVEGCSA-N 442.338 4.944 30 10 IJEE C=CCc1cc(CNC(=O)c2nn(-c3ccc(C)cc3C)c3c2CCC3)cc(OC)c1OC 1264831027 GVDZMILVSFQNND-UHFFFAOYSA-N 445.563 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCC(C)(C)COC 1286282705 RWCNZNXNIWGHNP-CQSZACIVSA-N 439.423 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCN1C1CCCCC1 1286301420 KPAAFALIZCRLEO-VWNXMTODSA-N 449.643 4.729 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCSC2)C1 1286342106 MGVGLEVTYRGZLM-JTSKRJEESA-N 431.005 4.818 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1286350716 KRQHRBBJNSFXQQ-KRWDZBQOSA-N 425.577 4.946 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC12CCC(CC1)C2 1286421723 QROYIGHFYOVJPS-UHFFFAOYSA-N 443.414 4.812 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCCN1CCC 1286438216 RVBKSPILONGKKY-FPOVZHCZSA-N 439.673 4.855 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCc1sccc1C 1286458213 MRZGEYUTEWAMMB-HXUWFJFHSA-N 438.572 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1286549629 GCQQIEFCPXYSTI-KHYOSLBOSA-N 434.371 4.971 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1286648455 DPYJXSDKJIQTOM-XMSQKQJNSA-N 430.980 4.728 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2csc(C(C)C)n2)CC1 1286649722 XEAXQAFKVZNHQF-UHFFFAOYSA-N 428.631 4.613 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286667192 HQNGFBKUQRYGME-XZOQPEGZSA-N 432.616 4.599 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1286678750 DHJSXQITRYHHHU-JOCHJYFZSA-N 441.583 4.687 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286691585 LOWPEQYMNPMPAL-OAQYLSRUSA-N 444.023 4.931 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](c1ccco1)N(C)C 1286718554 NRXIRJHCPVNCKY-SFHVURJKSA-N 425.602 4.794 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCC(F)(F)CC1 1286759036 YJSCHGMTIOHMDY-HXUWFJFHSA-N 430.499 4.795 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1Cc1ccsc1Br 1286766639 UDYHEMCGKPCZGD-UHFFFAOYSA-N 447.402 4.931 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 1292582498 SVYYDEZNWCOHCA-IBGZPJMESA-N 436.980 4.712 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 1299432593 SXXIIOBQGLUAAF-INIZCTEOSA-N 429.483 4.960 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCN(CC)C(=O)OC(C)(C)C 1300275260 SBEAJAIBHFNLCF-PZJWPPBQSA-N 439.604 4.535 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1300293835 SLPIYWJWAKGNOF-ZCNNSNEGSA-N 428.024 4.815 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cc(Br)cs1 1300393256 BQCOUVBRJNHGKP-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(c2ccccn2)CCC1 1300476366 LELLSPZITSVCCM-UHFFFAOYSA-N 438.000 4.810 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(CC)(CC)SC 1300594861 ATFJEPILPMMVQX-WOJBJXKFSA-N 430.662 4.581 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1300644125 RTRZKWQWHMOYIK-UNMCSNQZSA-N 426.630 4.934 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@H](F)C1 1300650571 VELCFOBYLNYCNW-UYAOXDASSA-N 441.551 4.551 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](OC)C(C)(C)C1 1300743198 IWACZZZRNAMFKA-FQEVSTJZSA-N 444.670 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(OCC)cc1 1300901878 URIRBQDCGCFCPM-UHFFFAOYSA-N 444.377 4.885 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1300935716 ZSWWOLAMASNMGO-INIZCTEOSA-N 441.929 4.885 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1301057292 UFYTYLLJTFFNSM-HNNXBMFYSA-N 441.269 4.783 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1301183276 UWSBBMQTHGTOOD-GOSISDBHSA-N 445.493 4.753 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCN1CC 1301351167 LOSPATAGVOXYGK-GMAHTHKFSA-N 441.595 4.726 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1nc(C)c(C)s1 1301401958 IHOPLBJXHJERMU-NRFANRHFSA-N 437.613 4.529 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)OC 1305700725 BEPIKHZJHLTYAI-PGRDOPGGSA-N 439.604 4.662 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]([C@@H](C)CC)N1C(=O)c2ccccc2C1=O 1349910556 KOYKLKOMCGZYSH-LIRRHRJNSA-N 430.957 4.627 30 10 IJEE COc1cc(C#N)ccc1C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 1353212350 BMTYQSJBRGQWDQ-GOSISDBHSA-N 432.307 4.507 30 10 IJEE Cc1c(C#N)c(NC(=O)[C@@H]2COc3ccc(Br)cc32)n(-c2ccccc2)c1C 1353439239 BZIAXLWRCIRDGH-LJQANCHMSA-N 436.309 4.843 30 10 IJEE C=CCOc1ccc(OC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 1354392996 YRXRZZMOHVDLDQ-PGRDOPGGSA-N 441.524 4.655 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl 1355662104 CKNOFBKEWPGHND-UHFFFAOYSA-N 426.851 4.829 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1355927487 HMUZXNIGQPGWNV-HXUWFJFHSA-N 431.319 4.639 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(C)C 1358911867 DXUMYSUODAIWMN-HXUWFJFHSA-N 431.625 4.678 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCSC2)CC1 1359176177 OMYOMRKBWUIIDC-FQEVSTJZSA-N 439.412 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(C)C)CC1 1359184543 SAQDKBJYVSEOLU-UHFFFAOYSA-N 432.616 4.934 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC(C)(C)C1 1359184855 CQQCTBKTEJTZHO-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2oncc2C1 1359185386 VFAAHTOROCWRBV-UHFFFAOYSA-N 427.936 4.760 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C)(C#N)CC1 1359223403 KIWYAYYOUMUQNT-GOSISDBHSA-N 439.629 4.854 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1Cc1csc(C)c1 1359256499 HVLDTCSXKNPGOU-QFIPXVFZSA-N 433.581 4.655 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2cc(Cl)ccc2OC(F)F)C1 1359312583 XJAXIPCXOFJALG-RHSMWYFYSA-N 440.922 4.876 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359338912 LWHCNZUGXWHZRB-FQEVSTJZSA-N 438.601 4.502 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)c1ccc(F)c(F)c1 1447976444 ZPHSEIQGWRQOJA-NHCUHLMSSA-N 428.479 4.745 30 10 IJEE Cc1c(C#N)c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nc2c1CCC2 1458860961 HWVFVGVVSGAIGQ-UHFFFAOYSA-N 438.553 4.668 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 1460779940 BIOOHNJBHXRQAI-HXUWFJFHSA-N 439.350 4.742 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)Cc1ccccc1Br 1465992881 VUPLKOKRIMHLRM-MRXNPFEDSA-N 440.341 4.561 30 10 IJEE C=CCCC(C)(C)CNC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1469840638 ONTWTSYFUGXZSD-UHFFFAOYSA-N 425.495 4.602 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1471600521 VGAZXCPAKSAYPN-BVSLBCMMSA-N 427.589 4.952 30 10 IJEE C=CCC1(CNC(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)CCCC1 1476443432 QCHCXFSNIRUKGT-GOSISDBHSA-N 430.467 4.752 30 10 IJEE C#C[C@@H](NC(=O)N[C@](C)(c1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1477151222 OIPBEYMWICEQOE-SJLPKXTDSA-N 425.248 4.900 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1497581383 BNQWYHHZOHTHEF-MPCDZSKCSA-N 437.588 4.559 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)SC 1502045005 IEMWFYCVFWGLNZ-INIZCTEOSA-N 427.599 4.568 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@H]1C(C)C 1507517354 HCQGPSPERGUTFI-JTJYXVOQSA-N 445.611 4.872 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 1507570892 LSALCFFSOZMHKU-UHFFFAOYSA-N 439.560 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(C)n1 1507770325 MQNDRLPONRXPPJ-JOCHJYFZSA-N 425.989 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C(C)C 1507809243 IUWBWMKMFGWULP-AABGKKOBSA-N 447.624 4.566 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 1507826789 CKPUMZXERGTDNK-CYBMUJFWSA-N 439.785 4.941 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCO1 1507926719 IQFLMXZHFOUYEN-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1508001836 YPHMKFWRAFJSBV-UHFFFAOYSA-N 441.583 4.840 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC2C[C@H](C)O[C@@H](C)C2)c1C 1510370717 CQLAEAHYMNMGPP-BOFXEDATSA-N 439.604 4.834 30 10 IJEE CC(C)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cnc2ccccc2c1 1520043300 IAOXZTOARKQPRY-GOSISDBHSA-N 432.911 4.554 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCC1(C)C 1524690374 WRUJTQXXZQUHEJ-QFIPXVFZSA-N 426.582 4.719 30 10 IJEE C=CCC[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccccc1 1525770483 JFEUMYAJWVYOHC-MRXNPFEDSA-N 429.314 4.992 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 1526235684 LYACHRIUWIRGFP-CTNGQTDRSA-N 438.325 4.523 30 10 IJEE C=CCc1ccc(OCC(=O)NCC2(c3ccccc3Br)CCC2)c(OC)c1 1527364240 PUOABBNCVXKKEH-UHFFFAOYSA-N 444.369 4.803 30 10 IJEE C=CC[C@@]1(C(=O)Oc2cc(Br)ccc2F)CCCN1C(=O)OC(C)(C)C 1527414776 FCQIUPJWFBIOKI-IBGZPJMESA-N 428.298 4.839 30 10 IJEE Cc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)cc1C#N 1528207604 CRYOOVSCMBHVEM-UHFFFAOYSA-N 429.705 4.780 30 10 IJEE CCc1c(Br)cc(C(=O)NCCc2ccc(C#N)cc2)cc1Br 1528534194 GCLFNDOVZMRUED-UHFFFAOYSA-N 436.147 4.618 30 10 IJEE C[C@@]1(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN(Cc2ccccc2)C1 1530953089 BOGYCICIZBKDSH-HHHXNRCGSA-N 425.532 4.532 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)cc(OC)c1OC 1533538723 UHMBMZMMUMZIIO-UHFFFAOYSA-N 437.517 4.517 30 10 IJEE C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(C(F)(F)F)cc1 1534023875 FUWKEJYYSUUJMS-IUODEOHRSA-N 436.817 4.888 30 10 IJEE CCS(=O)(=O)Cc1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 1536423448 AIJKEAPRYITNBY-UHFFFAOYSA-N 434.517 4.732 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC1(OC)CCC(C)CC1 1539319599 CVZFWBZWFOMBJA-UHFFFAOYSA-N 441.579 4.552 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC1(C)CCOCC1 1539549841 VMTFMYDSHBOWAH-JOCHJYFZSA-N 443.389 4.516 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCC2)C1 1539578856 CQTZCHHOZGPSJC-HNNXBMFYSA-N 435.341 4.846 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)OC(C)(C)C1 1539622388 FOBQCRJDJKTMEU-QINHECLXSA-N 448.970 4.723 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1539691375 XPNVNCCBSCGEIQ-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)C1=O 1539964875 RVKUHQPHNXBFES-KRWDZBQOSA-N 437.298 4.784 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)c1c(C)noc1C 1540186461 CFLRQRGMQRFAAU-DYESRHJHSA-N 439.560 4.756 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(Cc1ccccc1)C1CC1 1540857488 AXFMTWOGEQZNRN-UHFFFAOYSA-N 437.588 4.748 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1540919944 JDINFDYIGGJIHG-WOJBJXKFSA-N 449.020 4.578 30 10 IJEE C=CC1(CC(=O)NCC2(c3c(F)cccc3F)CCCC2)CN(C(=O)OC(C)(C)C)C1 1542763947 VNDOZCLSAWIMLG-UHFFFAOYSA-N 434.527 4.706 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(Nc2cnccn2)c1 1546226178 HHZILGOEZQDNJT-UHFFFAOYSA-N 441.304 4.950 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCC(F)(F)CC1 1555049243 FZXLVUUEZMSDGR-QFIPXVFZSA-N 429.515 4.909 30 10 IJEE C=CCCSCCNC(=O)c1ccccc1NC(=O)c1ccccc1Br 1557398664 WMBDCNVVCQFSIP-UHFFFAOYSA-N 433.371 4.741 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1 1557474875 KHHHQYHCHUGLKC-WZONZLPQSA-N 442.581 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 1557746548 CLOSOZGADWFULK-HZCBDIJESA-N 449.551 4.703 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)c(F)cc1C 1561960029 PGOOSHXFXXHZLR-IBGZPJMESA-N 436.346 4.598 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 1562257079 GDUAUAOBQQPBRK-XUZZJYLKSA-N 427.504 4.980 30 10 IJEE CCN1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@@H](C)C1 1562436794 CKJVFVUDPVQCNV-HNNXBMFYSA-N 432.446 4.927 30 10 IJEE C#C[C@@H]1CCCN(C(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 1570817287 VETLXGWGVXHLJU-MRXNPFEDSA-N 428.326 4.522 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(F)c(C(=O)OC)c2C)s1 1584320364 FSNNIDQPLSDFIS-UHFFFAOYSA-N 428.938 4.711 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)C3(c4c(Cl)cccc4Cl)CCC3)CC2)cc1 1586913384 GSAAXPLMXQAOQY-UHFFFAOYSA-N 428.363 4.631 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)CC)CC4)cc2C1=O 1587057128 GKIMEQXZMOJWDF-HNNXBMFYSA-N 437.565 4.719 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](CC)C2CC2)c1 1587535643 JCUODVIAVPNGBJ-OAQYLSRUSA-N 432.973 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCC[C@H](C)C1 1587592191 AMVNVRBRLCDQKO-ROUUACIJSA-N 431.987 4.708 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@]2(CCSC2)C1 1589305119 MQTOXQYHKZCUIH-SFHVURJKSA-N 439.810 4.841 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)CC[C@H]1C 1589495024 OYRLJNYLDAWRGT-NNFUDEMPSA-N 448.409 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)C1CCCC1 1589570073 SSCAZPTZTYWZIT-MBSDFSHPSA-N 428.552 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 1589589332 FOQCVSLJJKMJRE-UHFFFAOYSA-N 425.499 4.557 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(Cc1cccc(F)c1)C(C)C 1593894410 ARMZUJZYDFTJNR-UHFFFAOYSA-N 438.938 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2Cc2cccc(Br)n2)CC1 1594218574 KWCADGMUILUHBI-UHFFFAOYSA-N 438.373 4.862 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](OC)C(C)(C)C)CC1 1594430419 MJIDKLMTNCKYOV-QFIPXVFZSA-N 426.605 4.937 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1594498083 QARWBXUMQHWUBI-GOSISDBHSA-N 433.641 4.820 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1594720506 NXMHZKFBZQCZOX-UHFFFAOYSA-N 448.527 4.571 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccncc1 1594855390 BZDRZCCLRIZPCU-SFHVURJKSA-N 425.964 4.948 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1594913688 MNQNFTFPGARART-LPHOPBHVSA-N 445.995 4.866 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCCCC1 1595165380 GDVVDWLQSWISGA-HXUWFJFHSA-N 429.634 4.648 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@H]1C[C@@H]1C 1595166594 VVBXGOKZDIXVEL-BMFAXAFESA-N 443.617 4.884 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1595845275 QNZCFMLOHKTOGB-YPAWHYETSA-N 426.630 4.887 30 10 IJEE CS(=O)(=O)c1ccc(CNc2c(C#N)cnc3c(Cl)cccc23)cc1C(F)(F)F 1612313307 AEWNMCWUDOYEEF-UHFFFAOYSA-N 439.846 4.794 30 10 IJEE Cc1nc(CCn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@H](C)C#N)cs1 1612418904 CTSAPCHZCBTLQT-HUUCEWRRSA-N 440.642 4.735 30 10 IJEE COc1cc(C2(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)CCCC2)ccc1C 1618197594 DCBAKIARKZPKDO-UHFFFAOYSA-N 437.971 4.689 30 10 IJEE Cc1c(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)sc2ccc(C#N)cc12 1621605160 FHTMMCRQYSMZOE-MRXNPFEDSA-N 432.592 4.513 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccc(-n2cnnn2)c1C)c1ccc(C(F)(F)F)cc1 1622747712 WSTUIFFCJGNXCW-SFHVURJKSA-N 430.434 4.819 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCOC3)CC2)cc1 1623998462 BATXIUWAVUUDBG-SFHVURJKSA-N 437.927 4.948 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 1625576455 GRTDUMAGBKEVNW-NZQKXSOJSA-N 443.632 4.784 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3F)n[nH]2)c1C 1628285689 RQCJXEGWTIJPBW-JOCHJYFZSA-N 443.526 4.929 30 10 IJEE C=C[C@](C)(CC)C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1629683990 HSNYQWMMFVMWIC-RUZDIDTESA-N 444.620 4.833 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 1631792420 JSCWPIOCRWOAFH-RUZDIDTESA-N 426.516 4.716 30 10 IJEE Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)NCC1(C#N)CCC1 1632027634 BJRILWRGZMAYGP-CYBMUJFWSA-N 433.375 4.935 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1633505676 VWIIRUHIRFEGNY-GOSISDBHSA-N 440.499 4.564 30 10 IJEE C#CCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CCC2 1633509423 ZDPFHTHQYKDHME-KNTRCKAVSA-N 426.516 4.882 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1 1634733960 AWRUUGWKSQIFNB-UHFFFAOYSA-N 435.442 4.602 30 10 IJEE C#CCN(C)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)C[C@@H](C)C2 1636805529 HWVDYRNXZRJZMN-LAFOYAEKSA-N 427.548 4.636 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 1638565746 ZFRYJWBOWVCGCE-SJORKVTESA-N 442.478 4.692 30 10 IJEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)C2 1639459490 DZKXDGRZPXRYIK-HOYKHHGWSA-N 438.911 4.809 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 1639953804 ICNRJLRNFQETDZ-DEOSSOPVSA-N 443.934 4.594 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)n(-c2ccccc2)c1C 1642929990 ATVKNDXGESMRPJ-RTMPEQEDSA-N 448.611 4.556 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)CN(C(=O)OC(C)(C)C)C1 1645115364 TWOXHNBKOQPQQS-GOSISDBHSA-N 448.007 4.804 30 10 IJEE CC(C)[C@H](CO)N(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccccc1 1653482166 HZMQWUNRRHTLGA-AVRDEDQJSA-N 439.625 4.592 30 10 IJEE CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)S(=O)(=O)CC1(CC#N)CC1 1653766679 CODIZPSKHWZDGL-UHFFFAOYSA-N 426.460 4.811 30 10 IJEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 1658917151 CGBISSLHYLBJSN-MRXNPFEDSA-N 425.847 4.686 30 10 IJEE C#C[C@H](NCc1cccc(CNC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1659305669 XQBPVXRYHWWKRF-FQEVSTJZSA-N 429.358 4.938 30 10 IJEE CCOc1c(Cl)cc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1Cl 1660477085 GAUNWXAIHRNDBH-UHFFFAOYSA-N 437.302 4.757 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1667083293 XLSBSLHMJKNURT-FQEVSTJZSA-N 441.572 4.590 30 10 IJEE CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1c(C)cc(F)cc1C#N 1667775273 FGYKICOBPSNSLV-NRFANRHFSA-N 443.931 4.854 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1F 1669486076 FAPDVHLMKPHFCX-UHFFFAOYSA-N 432.171 4.680 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)c(Br)cc1F)c1ccc(Br)cc1 1669970478 WQWKTEHJPSIPFZ-AWEZNQCLSA-N 444.073 4.986 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(F)ccc3OC(F)F)cc2)nc1 1673915193 AYBROHJTHSJGFX-UHFFFAOYSA-N 428.370 4.808 30 10 IJEE CC[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCN1Cc1ccccc1 1675688226 GEVLDZKTENNYCV-HXUWFJFHSA-N 448.958 4.526 30 10 IJEE C=CCC1(NC(=O)NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)CCCC1 1677335453 HQEJTROPCHNIPA-UHFFFAOYSA-N 435.568 4.743 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCC3(c4cccs4)CCCCC3)CC2)c1 1679469321 GZGNWDFXHIRQHZ-UHFFFAOYSA-N 436.625 4.785 30 10 IJEE C=C(CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1ccccc1 1681774476 MDEYVLFHAVHAMU-DHIUTWEWSA-N 435.568 4.792 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1686161106 AXYXUTFLJDFQEO-LSDHHAIUSA-N 427.998 4.935 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1689921163 WWHIPDDJHFEZAR-CRAIPNDOSA-N 431.378 4.754 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)C(C)C 1690037298 UGNPUOWFNHUYQW-UHFFFAOYSA-N 433.419 4.914 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1690162046 ZCGBMKVKQLWEBP-VXKWHMMOSA-N 438.641 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(O)(CCC)CCC 1690193628 OFMLYIMRUXSUQC-NTKDMRAZSA-N 442.579 4.881 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CC1(C(=O)N(C)C)CCCC1 1690258292 AXMNVVPNEVJNRN-UHFFFAOYSA-N 435.572 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1690259546 NFFJCPOPZJDLNM-INIZCTEOSA-N 448.999 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCc1ccc(Br)s1 1690261540 QGFOISIPLNKHAS-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=C(C)Cn1c(N2CC[C@@H]3CCCC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690298224 SYUFHDGOAOSEPG-ZGXWSNOMSA-N 429.609 4.641 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1690379462 RIDWKTBVQWXYNA-FQEVSTJZSA-N 435.616 4.744 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)CC1 1690417214 JBFAABIDAKOPJO-BGYRXZFFSA-N 443.636 4.887 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1690518789 VLPZFDVYWXDJHE-KNQAVFIVSA-N 437.613 4.721 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC1CCC(OC)CC1 1690602578 RXOWSOVLOOFHKV-UHFFFAOYSA-N 433.600 4.724 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1690633417 YEPRANUKFOGQEC-HXUWFJFHSA-N 439.604 4.874 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1 1692478985 GPNOUMHLXFUNSW-UHFFFAOYSA-N 434.613 4.779 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1705511747 FMEVCWMSHPELGZ-FQEVSTJZSA-N 442.007 4.535 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)c1nc(C)cs1 1705556702 SWCQXECOIWRYFA-GOSISDBHSA-N 437.613 4.927 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nnc(C(C)(C)C)s1 1705577801 UEYRHCKIARLFFU-UHFFFAOYSA-N 446.624 4.513 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccccn1 1705654480 JYCGPCHKCKRJGT-UHFFFAOYSA-N 437.638 4.673 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(CC)CCC1CC1 1705654710 RCPVTHWOGZDVPW-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@H]1CC 1705696189 MCIVFOPPJGUDLX-CLWLKPMESA-N 440.588 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(CCC)CCc1cccs1 1705704586 WWUHYOGDNYJANH-IFMALSPDSA-N 437.613 4.842 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccco1 1705706980 CBSJRPMMGPCLAK-DMPNSMEDSA-N 442.604 4.968 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CCC(F)(F)CC2)CC1 1705764721 LFUKBHOWFNGOFJ-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCCN2CCC)CC1 1705784668 DRWNBHZEIZVEHM-JOCHJYFZSA-N 441.595 4.663 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705799214 PUIYHRHPJRNVSA-ZWKOTPCHSA-N 429.634 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc2c(n1)CCCC2 1705836963 LUFFKIRVRDYQHI-UHFFFAOYSA-N 438.373 4.652 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@H]1CCCCN1C1CC1 1705857478 GJKCAFRNFOMDSG-GBXCKJPGSA-N 432.616 4.873 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(Br)cc1 1705894174 OANNJSRGRQJJFO-QZTJIDSGSA-N 433.394 4.782 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1705913200 HJEXKZZUYODZRL-SFHVURJKSA-N 444.988 4.746 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(Cl)cc2)C1 1705927020 PKBDMLUPFWDICD-HXUWFJFHSA-N 428.989 4.608 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(CC)C1 1705939733 LJANLIGMQQYRBV-HSZRJFAPSA-N 427.618 4.693 30 10 IJEE CC(C)C1(Cn2c(N3CCN(c4ccc(C#N)cc4Cl)CC3)nnc2C(C)(C)C)CC1 1706267960 FWZBZFHASZSICO-UHFFFAOYSA-N 441.023 4.863 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCCS1 1722276636 JENGCIGGKDALHH-WFXMLNOXSA-N 428.602 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(OC)CCCCC1 1722278650 RQVDPEMOJFWDSP-UXHICEINSA-N 440.588 4.624 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)c1ccccn1 1722287753 QOQYRWAUHSAIMZ-INIZCTEOSA-N 438.373 4.538 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1722334949 JIVWRUSFQZZVSJ-INIZCTEOSA-N 433.002 4.637 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC[C@@H](OCC)C(C)C 1722404945 HMXPSWNIMGWCFI-LJQANCHMSA-N 433.394 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1722511985 SPVNEBKXYCGMLE-LJQANCHMSA-N 432.515 4.800 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(F)F)c1 1722677259 YLIOHJSGKRVMFC-FQEVSTJZSA-N 442.510 4.986 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[C@H]1OC 1722678079 KRCPGAUDEVQUQH-RBBKRZOGSA-N 426.605 4.697 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1ccccc1F 1722678290 OBOYICODVPYBHX-UHFFFAOYSA-N 443.954 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2CC(OCC)C2)C1 1722719226 YVWQMMANABKJSU-TWMPVWRBSA-N 430.980 4.585 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(OC)CC1 1722731617 AMNRJAKRDJJGDC-MBSDFSHPSA-N 448.608 4.872 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722733422 ACOOADFWQTXKCD-QAPCUYQASA-N 440.535 4.583 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CC3(O)CCCCCC3)cc2C1 1726514032 IECYQTGRXPZHOW-ZWKOTPCHSA-N 441.645 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@@H](C)C1 1740539883 WMFZCWULKOBMNY-RCZSKKKRSA-N 431.584 4.626 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCC1CCOCC1 1740596878 HAAYHAPXLMZGRM-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC[C@H]21 1740737944 AGPMHHBXMFMOQF-DZGCQCFKSA-N 438.167 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1-n1nc(C)cc1C 1740771991 FQJDVOOZMWOQPZ-UHFFFAOYSA-N 441.583 4.902 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NC2CCCCC2)CC1 1740820435 CXERUYSHKIFAAR-UHFFFAOYSA-N 445.970 4.733 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCC(C)CC2)CC1 1740827282 PTMFTJKIAIKFGV-UHFFFAOYSA-N 437.632 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1740850576 MHDJTILCLNDWNT-UHFFFAOYSA-N 435.616 4.540 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1cccc(C)c1 1740893033 VBKFJEPFPASOOV-INIZCTEOSA-N 428.378 4.780 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H]1CCO[C@@H](C)C1 1740893272 DHQRLTZWQDRYRI-LSDHHAIUSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@@]1(C)CCCO1 1740924542 VUGWHOCUFSXNKA-XMMPIXPASA-N 438.597 4.989 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCCO1 1740924622 XPLGBSLSLAOLNT-OAQYLSRUSA-N 438.597 4.989 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C#N)o1 1740925712 QQPCFAVRIRDDJU-UHFFFAOYSA-N 442.292 4.538 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1CC1(C)CCOCC1 1740936218 LUGPPYFDTMZNKE-UHFFFAOYSA-N 436.556 4.599 30 10 IJEE CCC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1745261547 CITQMNMEPCSEOB-RXVVDRJESA-N 446.393 4.653 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1748697858 AHGXZWNITLKLND-FYYLOGMGSA-N 446.599 4.913 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N(CC)CC)nc1 1749058459 JHTAKNCKVFQWQB-RUZDIDTESA-N 449.002 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CCSC1 1749139498 GFMBGHUTVMHBMQ-JQVVWYNYSA-N 444.670 4.802 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749208783 DKWRIJHWAZXNDD-MHECFPHRSA-N 447.624 4.568 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749216995 XNUIWDGIBBTDHR-UHFFFAOYSA-N 436.556 4.728 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1749218363 MTIZSKYKZPBHNQ-LJQANCHMSA-N 441.938 4.719 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(F)cc2Cl)CC1 1749345486 JXGYMIOTBSTGEQ-UHFFFAOYSA-N 425.939 4.702 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCc2csc(C)n2)CC1 1749347600 RBDHYOOUMSNNKH-UHFFFAOYSA-N 437.613 4.830 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1749348784 YRXNDKSOIKBYLW-RDGATRHJSA-N 449.599 4.582 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccccc2C)C1 1749406985 RQGFYZGVTCUGPJ-FQEVSTJZSA-N 449.624 4.928 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@](C)(CC)C1 1749418168 ZIAZBSGAFIFLPG-NRFANRHFSA-N 433.394 4.988 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CCCC1 1749547676 VWNOGVCQSOCHLM-HXUWFJFHSA-N 427.612 4.930 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1CC(C)(C)C1 1749574068 XOJUZDRCISCXLT-UHFFFAOYSA-N 446.599 4.680 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1749747210 WDVBQSYJZNVJKH-ZQHDKMAOSA-N 444.626 4.701 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1760150505 PFGKXVRKTZRKKS-KDURUIRLSA-N 442.629 4.876 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(C)C)C1 1760303075 AFKFEXWOYMCESP-INIZCTEOSA-N 449.393 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 1760334028 NQBFQNKWNZMQQR-LEWJYISDSA-N 434.632 4.960 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOCCCC)CC1 1760381319 IDIQHRBGPLYBNH-UHFFFAOYSA-N 425.577 4.510 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760425913 ZEQDIDZZOZNBSF-CQSZACIVSA-N 429.512 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2N2CCCCC2)C1 1760543680 RGBWUYGYIWLBIK-QFIPXVFZSA-N 437.632 4.687 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C(C)C 1762643766 GEADQROTIZAFKA-JTSKRJEESA-N 448.571 4.762 30 10 IJEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C1CC1 1763894399 CJTUXMFAWRJTEO-SFHVURJKSA-N 434.613 4.778 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nccs1)C1CCCC1 1764823041 DVNXMAYEGKGGKR-QGZVFWFLSA-N 436.585 4.758 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2cccnc2)n1Cc1ccc(C(F)(F)F)cc1 1771538205 HROSPQRWKKQFTA-UHFFFAOYSA-N 426.446 4.537 30 10 IJEE C=CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1ccc(C(=O)O)cc1 1772762977 RMVLEPXLOLBTOT-UBLAJHMLSA-N 443.322 4.937 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc3c(c2)[C@H](C)C(=O)N3)c(C)s1 1859555970 PZRMKHCZTDIJQE-AWEZNQCLSA-N 449.532 4.756 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)c1 1862412846 OQWFVGSXCMEBBO-NRFANRHFSA-N 429.463 4.667 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)c1 1862412847 OQWFVGSXCMEBBO-OAQYLSRUSA-N 429.463 4.667 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Br)ccc1F 1862485065 VQSQCLSDKCPPMK-SFHVURJKSA-N 432.289 4.885 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1F 1862505485 CYKUTQVRYADIGA-NRFANRHFSA-N 438.455 4.953 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862534333 QYNDTIPMGJIFHH-XMMPIXPASA-N 437.499 4.904 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)cc2Cl)cc1OC 1862580216 ZOTGGVFTCCZMFZ-IBGZPJMESA-N 448.302 4.751 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccs2)cc1 1862605109 LSVLWICZVHGGLL-QFIPXVFZSA-N 447.512 4.606 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCO)cc1 1862658972 WPIVGYJVGCUHCG-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE CC(C)Oc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2F)C1=O 1862921744 DRURWMKUWMPOFJ-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863093364 MYESHJUVUBUQFS-UHFFFAOYSA-N 425.463 4.965 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCC3)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863282085 KSYNKRZOBOIDOO-UHFFFAOYSA-N 442.346 4.972 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1ccco1 1864472254 WHHNQHLAMWJUHH-FQEVSTJZSA-N 428.577 4.527 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868377820 BSDUXQOQGGWBLV-SFHVURJKSA-N 432.597 4.989 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)cc2F)n(-c2cccc(Cl)c2)n1 1870002668 UJORJABFLXFTNW-UHFFFAOYSA-N 429.858 4.630 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1ccccc1 1871135324 XBDSOFRXRBQUGP-UHFFFAOYSA-N 427.589 4.726 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)/C(=C/c1ccco1)O2 1871374064 OQBSJXJTLDJGSS-NVMNQCDNSA-N 425.780 4.985 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCC 1872357626 HMYOWKULEYWAPX-SFHVURJKSA-N 434.524 4.821 30 10 IJEE C=CCN(CC=C)c1nc(Nc2cc(OC)cc(OC)c2)c2cnn(-c3ccccc3)c2n1 1873481846 SSAVCLUKIHQBAR-UHFFFAOYSA-N 442.523 4.755 30 10 IJEE CCc1ccc(/C=N/Nc2cnn(-c3cccc(Cl)c3)c(=O)c2Br)cc1 1873527023 HYEHYWQBCFQOSM-SSDVNMTOSA-N 431.721 4.657 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(NCc3ccccc3C)ncnc21 1873618981 RDSUCKNDDFIZJG-UHFFFAOYSA-N 437.507 4.666 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCCc3cnc[nH]3)ncnc21 1873619804 OGYMIZIKRUSUPO-UHFFFAOYSA-N 443.555 4.590 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SC)cc1 1874294709 QMPKYFVBHYOLCY-XQNSMLJCSA-N 439.541 4.950 30 10 IJEE CCSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874305550 CVLMMJLRYYQIBL-XIEYBQDHSA-N 437.613 4.912 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(O)cc2O)c1 1874374767 MWGJRAOQVTXXIN-VULFUBBASA-N 448.523 4.902 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccc(OCCC)c1 1874441420 WKUUICVKOREBOQ-HZHRSRAPSA-N 432.590 4.583 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1 1874460072 JNOYJVRODJRHLE-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)cc1O 1874492035 VOMNQKIQOMYYSL-AUEPDCJTSA-N 434.924 4.855 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc(OC)c1O 1874495141 WVWCXXMLWXJWRX-WYMPLXKRSA-N 442.516 4.582 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 1874610920 SMEPQZYPGLRJQC-PKNBQFBNSA-N 446.341 4.601 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OCCO)c(OC)c2)cc1OCCC 1874612962 UUPDTVYBJDGSER-VQHVLOKHSA-N 444.524 4.549 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCCCO)c(Br)c2)cc1Cl 1874635936 AWDZENGRHLXLQG-ZZXKWVIFSA-N 425.706 4.768 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 1875094236 ILVGQBRLUWPIIN-BQYQJAHWSA-N 434.242 4.577 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1 1875127481 HUUSUCVCOIFCGD-MDWZMJQESA-N 433.416 4.727 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1OC 1875191896 JPIGJICKFYCNSG-GQCTYLIASA-N 439.291 4.849 30 10 IJEE COc1ccc2c(C)c(C(=O)NCC#CCOc3cccc(C(F)(F)F)c3)oc2c1C 1891397035 IJEKYGRGTLYVFF-UHFFFAOYSA-N 431.410 4.889 30 10 IJEE Cc1ccc(CN2CC[C@]2(C)CCOCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 1892547420 VWUJMMFHEWBTBW-HHHXNRCGSA-N 435.417 4.866 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([C@@H](C)C#N)CC1 1901537119 MLWHKBGWKHLXLH-AVRWGWEMSA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1955674410 NUUSIENROIUMBQ-RDPSFJRHSA-N 427.545 4.907 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 1988787864 WEJVAWKFCFSJRS-WOJBJXKFSA-N 425.516 4.839 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2nc(C(F)(F)F)ccc2C#N)C1 2055661269 TXQNXQCGXXBASX-UHFFFAOYSA-N 448.445 4.530 30 10 IJEE CCc1nn([C@@H](c2ccc(C)cc2)C(C)(C)C)c(I)c1/C=N/O 2079131799 ZJBXDGTZEOFLKG-YODDIOPGSA-N 425.314 4.802 30 10 IJEE C=CCC1(NC(=O)c2ccc(F)c(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2174759599 DWRIOCOZOYTIDS-UHFFFAOYSA-N 441.341 4.664 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCCC[C@@H]1CN(c1cc(Br)cc(F)c1C#N)C2 2174823350 ZXFWVYMJRFMINC-XCLFUZPHSA-N 438.341 4.734 30 10 IJEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2220069036 XIXPISDKUOTUHH-VXKWHMMOSA-N 441.446 4.863 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CCC 2232458467 LBTBAJKHRXVNFT-MAUKXSAKSA-N 443.430 4.956 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)n(C3CC3)c2)OC1(C)C 2282057200 CYUBPMSMJNKPQY-UHFFFAOYSA-N 446.356 4.558 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296231632 GLOQKJWBCGLHAU-MOPGFXCFSA-N 434.374 4.731 30 10 IJEE CCC[C@@]1([C@@H](N)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296232991 SPHHFOJYJKYBPF-SIKLNZKXSA-N 435.406 4.945 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C=CCCN1C(=O)OC(C)(C)C 2296295492 DPRLCZYORMHZNG-PMACEKPBSA-N 433.390 4.734 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](C#Cc2ccc(Br)cc2)NCC)C1 2296301303 SJGVDPULBIXGAI-IBGZPJMESA-N 433.390 4.640 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)o1 2297747212 JPZBIHGQCMPGHB-LJQANCHMSA-N 443.286 4.912 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2306366709 PIMGLPGEWPHBLQ-VWLOTQADSA-N 428.573 4.842 30 10 IJEE CC(C)[C@H]1C[C@@](N)(C#Cc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321373642 DHRFJCXFBQSCDS-GGAORHGYSA-N 441.369 4.565 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)c1 2322193449 WBQXLCDVHVLDLK-UHFFFAOYSA-N 449.528 4.776 30 10 IJEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccn3)C4)C2=O)cc1 2322312007 MXQRSFNDXGVNJX-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)N[C@@H](C)c2ccccc2)c1 2322377463 QJVDPPGIPQMUEJ-IBGZPJMESA-N 445.515 4.856 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4cccc(OC)c4)c3C)C2=O)cc1 2322724510 MLVXKDGISGZNFD-UHFFFAOYSA-N 444.439 4.626 30 10 IJEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2322948620 MPHRHHZSFWXXQM-UHFFFAOYSA-N 431.400 4.504 30 10 IJEE CCOc1ccc(C=Nn2c(Cc3ccccc3)nnc2SC)cc1Br 2323582578 HZWDWQDGRKEFRJ-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(OC)c(OCCCO)c(OC)c2)cc1C(C)C 2324261973 FNMNXRASIXXVGF-UHFFFAOYSA-N 428.525 4.802 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(O[C@H](C)C(=O)OC(C)C)cc(C)c3C1=O)cn2C 2324305344 GQEZQWRBHOYBLU-MRXNPFEDSA-N 449.503 4.830 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c1 2324697169 FJSAPUMZDZWNJK-UHFFFAOYSA-N 447.871 4.731 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c1 2324825819 YHLBMXFIPHRIOC-QGZVFWFLSA-N 442.471 4.615 30 10 IJEE O=C(O)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 2325481576 ORQXXUSIYLMMLW-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3cccc(OC)c3)c2)cc1 2325718680 ZIESTNQUQPKLJY-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccn1C 2325820911 OXPUXZCLMPNUQB-UHFFFAOYSA-N 439.585 4.662 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1F 2326193586 MWVWOIJZXKFXCP-UHFFFAOYSA-N 440.544 4.770 30 10 IJEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)c(OC)c1 2327944233 YNSPFMIZLQRMGS-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cc(Br)ccc1O 2329063332 XXDKRCWSWSPVJU-UHFFFAOYSA-N 437.750 4.595 30 10 IJEE Cc1ccc(O)c(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2330825625 CUYCMWZZCPEGHU-UHFFFAOYSA-N 439.541 4.963 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2331030725 IYGODHRBKWZXRP-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)cc1 2331183804 OKSMIHXCHNULQZ-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc([N+](=O)[O-])c1OC(=O)C1CC1 2331624782 UACJYESHRAMVEB-UHFFFAOYSA-N 439.464 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339575407 WHLDAMNWCJXTCS-SDNWHVSQSA-N 444.381 4.895 30 10 IJEE C[C@H]1[C@@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339578340 FUSXTVQVVBRAAE-LUOJLBBYSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339597541 RKTXMJJLNJEZCS-RBUKOAKNSA-N 444.381 4.941 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nc2sc(C)c(C)c2c1=O 3470409 XJKYQSJHPSRSIR-SFHVURJKSA-N 439.606 4.547 30 10 IJEE C=CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(-c4cccnc4)nc3[C@@H](C)[C@@H]2[C@H]1O 3840625 IIAUCUILGPRUPX-GOJKFUQTSA-N 439.625 4.539 30 10 IJEE CCOc1cc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)ccc1O 21349692 PZJBSGHRXXQJNY-WNSKOXEYSA-N 432.476 4.751 30 10 IJEE Cc1ccc(C(=O)/N=C(/Nc2ccccc2)N2CCN(Cc3cccc(F)c3)CC2)cc1 32946207 LUJTVMKMXMTSEL-UHFFFAOYSA-N 430.527 4.560 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 39840838 CGVKCEMQQUQFSR-QHCPKHFHSA-N 442.446 4.950 30 10 IJEE C=CCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(Cl)cc2Cl)S1 39888231 LGFDDKVCZDRWRL-KCDOPAPYSA-N 434.348 4.722 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)cc(C)c3C2=O)c1 41292055 DXVIUCKZTDRETI-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(CN3CCN(c4ccccc4)CC3)c(O)cc(C)c2C1=O 41585101 LRAHPAGFFUJTIE-UQQQWYQISA-N 440.543 4.947 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2cccc(OC)c2)C4=O)cc1 41646827 CHBSGWXGBOAOJV-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE CC(C)[C@@H](C#N)C(=O)Nc1c(Br)cc(Br)cc1Br 44814387 AUZYCBHYQQFQNF-MRVPVSSYSA-N 438.945 4.708 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1 59019744 NWRIVIHLSCNQFZ-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE CCOC(=O)c1ccc(/C=N/Nc2ccc(Br)cc2)c(Br)c1 95931978 MZKGOSKLPWQMNP-VXLYETTFSA-N 426.108 4.834 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 102438531 UTDNJHHTRUEHIJ-VFJWVMJUSA-N 448.906 4.756 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169964520 BGHNUGKLWDDTEB-NRFANRHFSA-N 437.854 4.963 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170022723 YXHWVJXWYIOGSS-LJQANCHMSA-N 441.270 4.877 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 170058892 NLUDPVZGCOPNTN-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)c1 170066666 KENGCEXPRRCIJT-GGAORHGYSA-N 435.520 4.576 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccc(O)c2)cc1C 170080787 CSYGLXZQUVBMNA-HSZRJFAPSA-N 443.455 4.521 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170090298 UFMQPMPPNRNORE-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170100106 FJAAVJFMMHRJRL-XMMPIXPASA-N 430.504 4.756 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3cccs3)ccc2O1 170155935 AWULCPQSQUVGCN-ASSNKEHSSA-N 435.476 4.994 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1 170237413 CYEXQCAWHBELHS-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccc(O)c2)c1 170259768 AEVDFCLIFSRWFU-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2)cc1 170265448 OBWAGDMITOHFES-QFIPXVFZSA-N 428.444 4.940 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC(C)=O)cc2)cc1 170406921 FXSCRCPTNKMWSE-XMMPIXPASA-N 441.483 4.957 30 10 IJEE Cc1cc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)ccc1Cl 170536831 VNQDOGHSEALKBH-UHFFFAOYSA-N 445.910 4.888 30 10 IJEE C=CCC[C@H](NC(=O)NCCCc1nnc2ccccn12)c1ccc(C(F)(F)F)cc1 442244018 WZIUUQWHENPWPW-SFHVURJKSA-N 431.462 4.687 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460803460 KMADHCFCHGYOHQ-IBGZPJMESA-N 445.489 4.864 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(O)nc2ccc(Br)cc12 464936587 BSCFBSCHXUPEDX-QUCCMNQESA-N 436.309 4.615 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 477463427 XAYUYZBEAKUKJQ-UHFFFAOYSA-N 439.562 4.554 30 10 IJEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)[C@@H](C)c1cccc(Br)c1 507532006 LQCOCMXJYWFMIK-HNNXBMFYSA-N 446.370 4.737 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508809995 NUVAELOGGVVMPJ-UHFFFAOYSA-N 436.519 4.599 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 508887784 KJTVRXAAFSONIA-UHFFFAOYSA-N 426.973 4.869 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccccc1Cl 526831910 YMVSNPMXBXMZFC-JJFYIABZSA-N 432.933 4.827 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 549281490 YXWGLOCRFDNWLP-FCHUYYIVSA-N 435.572 4.796 30 10 IJEE COc1cc(C#N)ccc1OCc1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1 612881654 AEYZMCRMGRVAJV-UHFFFAOYSA-N 446.410 4.748 30 10 IJEE CC(C)(C(=O)NCc1cc(C#N)ccc1F)[C@H](O)c1ccc(OCc2ccccc2)cc1 778806224 NTWKGLIHEVBVCG-XMMPIXPASA-N 432.495 4.652 30 10 IJEE CC(C)NC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 780310395 ZQPVTZRASQRPOX-SFHVURJKSA-N 436.309 4.511 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(SC(=O)N(C)C)c2)CCCN1C(=O)OC(C)(C)C 790614441 AJCGMGQCNQWZIW-JOCHJYFZSA-N 433.574 4.745 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 806163198 NJZCBSUDEDHSGK-QFIPXVFZSA-N 427.504 4.704 30 10 IJEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)CCCC1 1124791100 WQAMQRMEMGRUSU-UHFFFAOYSA-N 444.641 4.704 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1126230472 YFUQNFHENLKWDR-QWFCFKBJSA-N 428.301 4.677 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCN(C(C)=O)c3ccccc32)s1 1126475791 BYMHAWLQSCWPDT-UHFFFAOYSA-N 436.002 4.628 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)cc1 1127956067 OIJWQIHFGNHPIX-DHIUTWEWSA-N 434.561 4.667 30 10 IJEE N#C[C@@]1(F)CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Br)cc23)C1 1128018934 HRIKRWVKIFQSDL-QFIPXVFZSA-N 440.316 4.994 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H]2CSCc3ccc(Br)cc32)c(OC)c1 1130864512 AHIIUYUJZRJFCL-GOSISDBHSA-N 448.382 4.669 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1ccccc1 1134861503 ADCQOTLLVDZNIK-GDLZYMKVSA-N 436.871 4.712 30 10 IJEE C=CCC[C@@H](NC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12)C(=O)OCC 1140930015 OELJRMFORFKILK-JOCHJYFZSA-N 434.536 4.634 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)ccc2c1=O 1141635489 CDXUXZONFUZGSD-QFIPXVFZSA-N 445.519 4.530 30 10 IJEE C#CCOc1ccccc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1154540787 DEZXLRPXTFOFMT-GOSISDBHSA-N 440.499 4.564 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1156083392 AGQSKKRCTVZJEG-RPBOFIJWSA-N 430.548 4.634 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1F 1230511594 WZHGVLKUDZBHPH-SFHVURJKSA-N 440.733 4.992 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1)c1ccc(F)c(F)c1 1234556723 WFVSVMSQODGJFC-GAJHUEQPSA-N 445.510 4.885 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccccc1F)c1ccc2c(c1)OCO2 1264077470 CVDMALIABNRBDA-UHFFFAOYSA-N 435.451 4.731 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H](C)Cc2ccc(Br)cc2)cc(OC)c1OC 1264830909 AYLDOSRDJPZUMP-HNNXBMFYSA-N 432.358 4.690 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(C(C)C)C(C)C 1286362341 WRMDMYJGSLUHDQ-FQEVSTJZSA-N 446.039 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC(CC)(CC)SC 1286427409 GNJIGLRMSLOLCA-UHFFFAOYSA-N 430.568 4.532 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cc(C)cs1 1286512040 QTCJUIALTHUVDD-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)c1ncc(C)s1 1286566352 LSFUYGLOYJFNTC-OAHLLOKOSA-N 426.546 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCCCC1 1286567938 YSJLRWMRCIXWJO-UHFFFAOYSA-N 433.547 4.825 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1286594097 ZQSOFKJRJPKGMV-FPOVZHCZSA-N 443.636 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](SC)C(C)(C)C)CC1 1286638754 LTNKVQZBUTZRET-MRXNPFEDSA-N 438.439 4.970 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OC)n1CC1CCC(C(F)(F)F)CC1 1286730656 LIRDFVAFSGHMOT-UHFFFAOYSA-N 438.494 4.857 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCc1cccc(C)n1)C1CC1 1286733042 NNRJOYKDVWXKBT-UHFFFAOYSA-N 438.373 4.809 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)c1ncc(C)s1)C1CC1 1286734341 QYRBMZOBKSVZLB-HNNXBMFYSA-N 439.585 4.686 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(F)(F)CC1)C(C)C 1286750584 DFTFQTNFMVBKNK-OAQYLSRUSA-N 429.559 4.879 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCc2scnc2C)C1 1286801128 WLUJXLVLSNPBLT-NHCUHLMSSA-N 437.613 4.609 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2coc(-c3ccc(C)cc3)n2)C1 1286807664 QUVOPNXSOQGTIK-JOCHJYFZSA-N 449.599 4.854 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1286821950 AXCQMLTXZJAPOJ-HKUYNNGSSA-N 427.618 4.549 30 10 IJEE C#C[C@@H](NC(=O)CN(CC)C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1299868918 BZDCJHLUQTTWAI-AREMUKBSSA-N 438.527 4.748 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCC1(C)C 1300579837 XRMIWCJKMFGMEZ-NRFANRHFSA-N 427.552 4.889 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1300635061 BJCKZVXLDBIIEH-OAQYLSRUSA-N 445.007 4.526 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(COc2ccccc2)CC1 1300742529 MEDOAMQDMIETGT-UHFFFAOYSA-N 436.581 4.508 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1cnc(C)s1 1300877916 YFGSHPLXCPCNOW-RBBKRZOGSA-N 437.613 4.890 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1301190072 MBQZXLIOMOGAJO-OAQYLSRUSA-N 437.632 4.544 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 1301196826 KREMKEAWXBPRFP-UHFFFAOYSA-N 438.963 4.798 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1301289927 VCTAXKJCKYCLMR-BGYRXZFFSA-N 448.615 4.979 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)Oc1cccc(C)c1 1301362563 FZBOPZKQJXZMMD-UXHICEINSA-N 438.597 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCc2cccnc21 1301397431 VJCYZZWVZHJSGB-FQEVSTJZSA-N 433.531 4.690 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1Cc1ccc(CC)s1 1301399510 PDGIQCJFPFEFHV-UHFFFAOYSA-N 430.581 4.642 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCCC2(CC2)C1 1301620491 GAZYMJRHKDSYPE-UHFFFAOYSA-N 430.643 4.879 30 10 IJEE CC(C)=CCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CCC(C)C 1302382270 WGQLNVLXSIVWEG-UHFFFAOYSA-N 433.560 4.716 30 10 IJEE N#CCC1CCN(c2nnc(C3CCC3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1303011282 GGQLEWZELPXKTL-UHFFFAOYSA-N 433.478 4.665 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC3(CCCCC3)O2)cc1 1304396110 HKBIWRLAZUJJMA-IRLDBZIGSA-N 437.588 4.786 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1306363140 HUONEKHWXOFGLD-NRFANRHFSA-N 434.613 4.808 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CCO1 1306409143 HWWCIZFHJRTXEG-GBESFXJTSA-N 433.478 4.726 30 10 IJEE C=CCn1c(SCc2n[nH]c(CC)n2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1307251857 JDQTUBUYKRPUIP-UHFFFAOYSA-N 441.557 4.731 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccccc2Br)nnc1-c1ccoc1C 1307263660 HXHXGAWRULHYMY-INIZCTEOSA-N 448.342 4.801 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NCc1ccc(COc2ccccc2)cc1 1307486555 HXEVNOOXSGPVOG-SVBPBHIXSA-N 439.559 4.654 30 10 IJEE C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1=O 1310360373 DBIRVPJCJIKBFN-YJYMSZOUSA-N 448.420 4.590 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1310374728 VVQBPEZMNYKJFS-JOCHJYFZSA-N 448.494 4.960 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1312472521 XLZATKFTPLSTET-OXQOHEQNSA-N 427.342 4.721 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 1350578141 QLBLUIYPYUNOOQ-UHFFFAOYSA-N 430.595 4.638 30 10 IJEE CC(=O)c1sc(NC(=O)Cc2ccc(Br)cc2C#N)nc1-c1ccccc1 1354785005 FOGUPUSBJPTBCG-UHFFFAOYSA-N 440.322 4.828 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)c1 1358006973 IOKDXQTXMRDGLH-UHFFFAOYSA-N 434.473 4.661 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSC(C)(C)C1 1358920196 UVCIZXMSHVYOGS-SFHVURJKSA-N 428.602 4.562 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1CCOCC1 1358987286 ZKCHYUCAASMTJV-UHFFFAOYSA-N 438.984 4.703 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1359090563 CRGOVWBSUHIENR-RRPUWOKSSA-N 426.605 4.706 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCOCC(F)F)CC1 1359160562 XNWZWAVURMVIKI-LJQANCHMSA-N 434.531 4.863 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN(C)C(C)C)CC1 1359199686 DDDAABORSSZRNZ-UHFFFAOYSA-N 431.028 4.906 30 10 IJEE C=CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CO)CC1 1359208620 QAZCNLANXTWIMW-SFHVURJKSA-N 432.996 4.863 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCN(C(C)C)C1 1359255541 BZJCQLBKXNLLNN-XUZZJYLKSA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCC1(C)C 1359259843 KDBUMADHGRKRTM-HXUWFJFHSA-N 439.579 4.672 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1359289492 KPQPMCQCKIUWQK-SJORKVTESA-N 431.378 4.822 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1359312291 RBIDOYLVOLFVDP-URXFXBBRSA-N 437.632 4.858 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)OC)CC1 1359338873 KLMQUWIMGFUPBF-UHFFFAOYSA-N 442.629 4.551 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(c2ccccn2)CCC1 1359466379 AFGBWURPQQDJOU-RTBURBONSA-N 448.546 4.670 30 10 IJEE C=CC1(CC(=O)NCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)CCCCC1 1360284819 MCXCWQGGHLNELH-UHFFFAOYSA-N 442.581 4.639 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3cccc(C#N)c3Br)cc2C1 1436895558 BHOJIPWPLRUSDR-UHFFFAOYSA-N 442.313 4.824 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)C(C)(C)C 1437813624 XIGIXBYJMAKPCI-UHFFFAOYSA-N 434.989 4.587 30 10 IJEE C#CCC1(NC(=O)c2cccc(Br)c2I)CCCCC1 1439616420 CDEBFIFHOKWJQR-UHFFFAOYSA-N 446.126 4.510 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)cc1 1440891541 DOYUJKWSLLPCAU-GOSISDBHSA-N 432.565 4.604 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 1446790513 DXRZPLWZFKTASC-UYAOXDASSA-N 430.593 4.957 30 10 IJEE C=CCn1c(SCC(=O)N(C[C@@H]2C[C@H]3CC[C@H]2C3)OC)nnc1-c1ccc(Cl)cc1 1450245292 DABIJTCRNQWQIU-SZMVWBNQSA-N 447.004 4.703 30 10 IJEE Cc1cc(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)nn1-c1cccc(C#N)c1 1456583258 HVOQQHNNMPYCQK-SANMLTNESA-N 436.515 4.740 30 10 IJEE O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)[C@@H]1CC(c2c(F)cccc2F)=NO1 1459776712 AOGQBUFESRNIHM-AWEZNQCLSA-N 436.283 4.717 30 10 IJEE COC(=O)c1cn(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)c2ccccc12 1460442811 FQPVHQLAVZMTBG-OAHLLOKOSA-N 435.549 4.761 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)nnc1-c1ccc(Cl)cc1 1460906739 NCYXPXBTCLXHOK-PKOBYXMFSA-N 431.005 4.819 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)CC12CC(CN1C(=O)OC(C)(C)C)C2 1461850681 QCMOJXSDRFUOQA-UHFFFAOYSA-N 439.369 4.976 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)c1ccccc1 1462504529 LQEUZEVQBOXNIA-SFHVURJKSA-N 436.371 4.680 30 10 IJEE C#CC[C@]1(C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CCCN1C(=O)OC(C)(C)C 1463989087 ZJHWQCRXFAWBHX-AREMUKBSSA-N 436.552 4.600 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1467745798 QISHECQZWZMYHR-XMMPIXPASA-N 429.589 4.693 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Br)c2ccccc2c1 1471773895 TUPQVCQPIQHQEQ-IBGZPJMESA-N 445.357 4.525 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1cccc(C)c1 1472921166 KPHVPZAMGVHFTQ-FQEVSTJZSA-N 425.529 4.845 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3ccccc3)[C@H]2C)n(Cc2ccccc2)c1C 1473212079 DFLQWCRGWVJQSG-ZJSXRUAMSA-N 426.564 4.841 30 10 IJEE C=CCC1(CNC(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)CCCC1 1476443433 QCHCXFSNIRUKGT-SFHVURJKSA-N 430.467 4.752 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc([S@](C)(=N)=O)cc1 1476757985 PJOOVVKKGDVYPS-AREMUKBSSA-N 440.338 4.844 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(Br)cc1 1477493460 WYHZMPCFZPEFDY-JOCHJYFZSA-N 440.385 4.609 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1)C1CCOCC1 1479009806 TXPVQCJYRQKNNV-OAQYLSRUSA-N 430.907 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCC1 1507519134 YDBJJEFYPQYFNQ-PMACEKPBSA-N 444.023 4.632 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCOCC 1507780045 KXVISCBJCJMRJB-UHFFFAOYSA-N 434.165 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCOC 1507796545 MHFLIOCGHCMBEW-HMFYCAOWSA-N 444.645 4.585 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1507824218 WDPXHLZDVYYFNN-UHFFFAOYSA-N 427.980 4.620 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OCCC)CC1 1507849145 SABCRYMRNJKUCB-YPAWHYETSA-N 448.652 4.575 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1507859089 XBBKLVRMXHIMIU-CRAIPNDOSA-N 430.339 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1507917504 QHIQQTYQRHSSOE-GOSISDBHSA-N 430.666 4.809 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H]1CCOC1 1507926042 NJXWFCBLCNTPKO-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1507954421 NIZGAMBPVXPKCG-IBGZPJMESA-N 449.578 4.755 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1CC(=O)NC1CCCCC1 1508003233 VFOOGJYUQHYENO-UHFFFAOYSA-N 449.624 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1508013511 FJPAQCWZZIROKN-DEOSSOPVSA-N 442.611 4.821 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@H](C)[C@@H](C)C2)cc1 1508105839 SIJDOLRMOYZNCB-ROUUACIJSA-N 437.613 4.729 30 10 IJEE Cc1cccc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1510593945 FIEPRNNFINZENI-ONFVETCGSA-N 439.579 4.751 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)CC1 1512072661 CHXHPOBBIKAMHW-PZYUZEHPSA-N 435.597 4.801 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3CCCc3ccccc3)CC2=O)cc1Cl 1517443803 ICORMDSYPCVVGA-LEWJYISDSA-N 435.955 4.578 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)cc(OC)c1OC 1519363174 ZKKWLOZOGVMWNG-UHFFFAOYSA-N 425.916 4.510 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 1519373511 HAYYWDVRQKBHGV-NRFANRHFSA-N 440.455 4.808 30 10 IJEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Cl 1525622431 HEBPHOANOSVXRF-QHCPKHFHSA-N 441.915 4.525 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2ccccc2OC)cn1)c1ccc(Br)cc1 1528087523 FGOYRJSBIDASMP-SFHVURJKSA-N 437.293 4.749 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CCCC1(C)C 1530837935 CYRFLJREPNVWQM-APWZRJJASA-N 433.390 4.704 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1535483586 NTXHFABKSUMJIG-SFHVURJKSA-N 440.728 4.972 30 10 IJEE C#CC[C@]1(C(=O)OCc2cc(Cl)ccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1538778595 ZGGMKDMEDNGWFN-OAQYLSRUSA-N 443.874 4.778 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)c(F)c1 1538984188 CRRLEPWKCJOJSK-INIZCTEOSA-N 438.572 4.929 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@H](SC)C1 1539048970 AZTWEQGDIHJJKM-FQEVSTJZSA-N 434.613 4.861 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539055802 IMWSRCTTXQJDQC-LJQANCHMSA-N 443.979 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC(C)C 1539625004 XUHOSECCQVHLQO-REWPJTCUSA-N 442.604 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](c1ccco1)N(C)C 1539676793 UTJRWEGXQCMFOH-QFIPXVFZSA-N 432.572 4.579 30 10 IJEE C=C(Cl)Cn1c(CC2CC2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1539811563 GQJDCJXPBVIGPQ-UHFFFAOYSA-N 429.927 4.846 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 1539888140 LVSWENGMRFRKMN-UHFFFAOYSA-N 435.494 4.831 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1539888178 MVHNADYLSNKIHL-RBBKRZOGSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1539925681 AXTYCFHVZADRMC-QFIPXVFZSA-N 448.615 4.848 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[C@@H](F)C1 1539953962 WLFJBJUWDAGUSJ-DYVFJYSZSA-N 425.321 4.997 30 10 IJEE N#CCCn1ncc(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)c1-c1ccccc1 1540089051 GVLWVSNKLYVYFR-HSZRJFAPSA-N 435.531 4.615 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCC[C@@H]1C)C1CC1 1540102074 SAXUUIIIUCDLFF-LHSJRXKWSA-N 449.368 4.553 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1540114637 NVJJGOYDLPWBRN-FQEVSTJZSA-N 429.609 4.565 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cscc2C)C1 1540892169 GXYNKSVXSNWWJY-HXUWFJFHSA-N 428.989 4.722 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1noc2c1CCCC2 1541106681 AJPZPAHRCPGQHT-CYBMUJFWSA-N 445.354 4.763 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1544713177 HYZFCPRKNYZAJY-QGZVFWFLSA-N 448.537 4.572 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)ccc2C#N)CC[C@@H]1C(F)(F)F 1559282559 XITWLMMVHDESQH-KBPBESRZSA-N 448.283 4.603 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)ccn2)nc2sc(-c3ccccc3)cc2c1=O 1559352429 NIGARGBICCOILT-UHFFFAOYSA-N 433.558 4.989 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2c(F)cccc2F)c1 1561074795 JCUFJEBQZPNOGF-UHFFFAOYSA-N 430.428 4.528 30 10 IJEE CCCc1c(NC(=O)NCc2ccc(OC(F)(F)F)cc2)cnn1-c1cccc(C#N)c1 1562643378 GTODCOKPDUNOSZ-UHFFFAOYSA-N 443.429 4.917 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1)c1ccc(Cl)cc1F 1562724969 QBPOOPGKZDPKEH-NRFANRHFSA-N 427.907 4.910 30 10 IJEE Cc1cccc(NS(=O)(=O)c2cc(NC(=O)NCC(C)(C)CCC#N)ccc2C)c1 1562866659 AXPANNDLQUKVID-UHFFFAOYSA-N 428.558 4.556 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](O)COc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 1564406299 CSIKCQHAZCDEGU-AZUAARDMSA-N 440.437 4.591 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccc(Cl)cc1 1564997844 PMZHAVSVFMTYKA-OAQYLSRUSA-N 427.335 4.813 30 10 IJEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1566677943 CHOGYZBRLREGOY-OAHLLOKOSA-N 443.931 4.895 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1OC 1569316417 SJNIDYSNDHQRDQ-DSNGMDLFSA-N 448.563 4.544 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4cccc(F)c4)CCCCC3)n[nH]2)c1C 1583202097 KKMHXKVNXHGLKA-UHFFFAOYSA-N 435.547 4.847 30 10 IJEE C#C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1583585447 UMCBHBKDELCZTD-PMACEKPBSA-N 430.907 4.926 30 10 IJEE C=C[C@@H](OC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccccc1 1587284009 ZZACARBYGUKUSB-OAQYLSRUSA-N 428.517 4.892 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1588976035 PUSRYMRFLFHQIQ-FCEUIQTBSA-N 426.630 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H](OC)[C@H](C)CC 1589192358 QIBDSXCUMJENRX-GTCCEBARSA-N 445.405 4.761 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)c1ccccc1 1589391170 XBEUGYPGBUUGSF-VXNXHJTFSA-N 443.547 4.792 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCn1nc(C)cc1C)C1CC1 1595037461 FVMYYURLIITEGI-UHFFFAOYSA-N 428.943 4.796 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCC[C@@H]3c3ccccc3)ccc2c1=O 1611322364 YKSMEOMFKQIZFS-WOJBJXKFSA-N 433.577 4.575 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)c1ccccc1 1623073619 YUMSXGAQZALEON-JOCHJYFZSA-N 427.570 4.689 30 10 IJEE CCN(CC)[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)c1ccc(C(F)(F)F)cc1 1625504914 AYQZEGHWTROCOY-CYBMUJFWSA-N 445.898 4.892 30 10 IJEE C[C@]1(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC(c2ccccc2Cl)=NO1 1629061281 BPQDBGOPMFGUEA-HSZRJFAPSA-N 432.867 4.921 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)[C@@H]1CCCc2ccccc21 1635885585 WIVNPPKEEYNUIV-RCZVLFRGSA-N 429.564 4.778 30 10 IJEE C=CCOCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 1643350270 RQBDSEUBTXMFDM-UYRXBGFRSA-N 446.475 4.934 30 10 IJEE C=CCCn1cc(CN[C@@H](C)c2sc(-c3ccccc3Br)nc2C)nn1 1647039447 GUCUMGASSJWHCG-ZDUSSCGKSA-N 432.391 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCCCC1 1649538415 CYPAMJQLPBRRLW-HNNXBMFYSA-N 428.989 4.966 30 10 IJEE C#CCOc1ccccc1CNc1cc(Br)cc(I)c1 1651383162 RBKQZKHZOMUXMZ-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(CNc2nccc(Oc3cccc(C#N)c3)n2)cc1 1651972221 BQGGWQHIMRJKBR-UHFFFAOYSA-N 431.496 4.777 30 10 IJEE C[C@H](CN(C)S(=O)(=O)c1cccc(Cl)c1C#N)Oc1ccc(Cl)c(Cl)c1 1654958348 HNWVRYXVIRTEFO-LLVKDONJSA-N 433.744 4.606 30 10 IJEE C=CCN1CC[C@H](Sc2nc3sc4c(c3c(=O)n2CCC(C)C)CC[C@H](C)C4)C1=O 1656101219 ZMQJVXPZJHXPIX-RDJZCZTQSA-N 445.654 4.508 30 10 IJEE COc1cc(CNCC(C)(C)CC#N)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 1656409586 AEQGPPJHCXZHSG-UHFFFAOYSA-N 449.473 4.761 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1nc2cc(Br)ccc2n1CC 1664582824 ZRCJCSNAFPGAOX-UHFFFAOYSA-N 432.749 4.774 30 10 IJEE C#CC[C@H](NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccccc1 1671008907 YFRJEYUYXZDULA-INIZCTEOSA-N 427.327 4.854 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCOc2ccccc2C(F)(F)F)cc1 1673820319 XHPINKAECGSBPI-UHFFFAOYSA-N 447.457 4.720 30 10 IJEE C=CC(C)(C)CCCNC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 1675759853 CXXXTZPNYMECAO-UHFFFAOYSA-N 429.586 4.621 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)NCc3ccc(Oc4cccnc4)c(F)c3)CC2)cc1 1675760471 CFQBTARYJSTYCK-UHFFFAOYSA-N 430.483 4.974 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCSc2ccc(Br)cc21 1679243133 CCWCTXFUYQAUSR-GOSISDBHSA-N 445.382 4.888 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCO[C@H](c2nccn2C)C1)c1ccc(C(F)(F)F)cc1 1680855924 RGBMJEJMQXHXAC-FHWLQOOXSA-N 436.478 4.666 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1cc(Cl)ccc1I 1683769246 BXIYODHFEFXDEP-UHFFFAOYSA-N 446.741 4.904 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1)c1ccc(Cl)cc1F 1686923034 VXQWDSNUWJGYHP-SFHVURJKSA-N 431.964 4.763 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1689885296 CZJNPYAISKXQGQ-LJQANCHMSA-N 444.352 4.986 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1689948461 WYUGAHZSQCFFTO-FGZHOGPDSA-N 433.644 4.574 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1690223111 DXXTXFOBWMSVNI-WMLDXEAASA-N 447.377 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1cccs1 1690250460 HXJBSEQEYDXIBM-KUDFPVQQSA-N 443.642 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C(C)C)N1CCCC1 1690257306 FBSQJLBPNUMNSY-IBGZPJMESA-N 449.441 4.559 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC=C(C)C1 1690306582 XZVMBHOBUYPRAF-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](c2cccs2)N(C)C)CC1 1690406938 YEUAXVJFJOYRON-FQEVSTJZSA-N 425.577 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C[C@H]1CCOC1)C1CC1 1690419731 AEXYIFYKRCXBNR-OAHLLOKOSA-N 448.409 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccc1OC 1690428627 WYHOOSUPBJUDSP-UHFFFAOYSA-N 426.952 4.636 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1)c1ccccc1 1690444962 PDKFTTCTZLQDOY-POAQFYNOSA-N 445.489 4.789 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690455622 LYLSGNWJGHKHDS-XZOQPEGZSA-N 438.616 4.983 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OCC=C)C1 1690456199 YXVQVIOSNFVRJS-QGZVFWFLSA-N 449.368 4.984 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1690510914 JQKBTKWGOKTASU-PMACEKPBSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)c1ccccc1 1690571974 OYFRFHZCILCXPZ-FQEVSTJZSA-N 449.624 4.962 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(F)c1 1690605536 NVAONEMRHJUQIQ-UHFFFAOYSA-N 436.487 4.871 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)CC1 1695468535 DBHWWPLLWKPNOA-OAQYLSRUSA-N 427.618 4.744 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)CCC(C)C 1705607056 OSNLCEVANBDXHF-HOYKHHGWSA-N 428.646 4.778 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCC=C(C)C)CC1 1705634723 HEJOPUOENWVRBO-UHFFFAOYSA-N 440.016 4.925 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1705654884 WKDDBOQXSWWXGX-OAQYLSRUSA-N 436.581 4.953 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC1CC(F)(F)C1 1705709870 SLLQAAYNIRZOIW-DENIHFKCSA-N 446.542 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CSCCS1 1705714841 JCEZLLADTXDAQM-KRWDZBQOSA-N 427.643 4.688 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1705778138 LBSYSCTUKMAZSM-UNMCSNQZSA-N 439.560 4.707 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCc2ccccc2OC(F)F)CC1 1705779433 JMLSDJSALSWSOE-UHFFFAOYSA-N 425.483 4.587 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H](OC)C1 1705814599 UREFKAXSNGCEHN-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1705827366 CEBZEUSRQWBUIO-CVEARBPZSA-N 449.393 4.544 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1705830361 NQATVOBHDFMZDU-UHFFFAOYSA-N 426.605 4.816 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCc2cccnc21 1705882186 ORYBEFMOMPFJHH-HSZRJFAPSA-N 431.584 4.661 30 10 IJEE C=CCn1c(Cc2ccncc2)nnc1N(Cc1cccs1)Cc1ccccc1OC 1705891602 NACFECLMVWHGGS-UHFFFAOYSA-N 431.565 4.727 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@](C)(O)C(C)C)cc1 1706472556 HUWFNHZYNIKXHO-VWLOTQADSA-N 439.604 4.517 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1 1706908660 FLSNAGBFUHEHAL-OXQOHEQNSA-N 429.565 4.583 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC2CCOCC2)cc1 1707565096 HDELEYMBFQVFER-HSZRJFAPSA-N 443.592 4.528 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1722311822 KXARNKRDMWZLPH-HXUWFJFHSA-N 428.895 4.712 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)[C@@H](C)CC 1722345321 ORPMAZVKCIGUTA-QSFXBCCZSA-N 432.996 4.819 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCCO1 1722456572 XUHWTCXKGSHWKG-MRXNPFEDSA-N 439.412 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCC)CC1 1722492686 GWWBZULQHRRYJM-SGNDLWITSA-N 449.599 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(COCC(F)(F)F)cc1 1722512736 JJFCIXJMMMWLHI-UHFFFAOYSA-N 447.505 4.813 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(Cc2ccccc2)CC1 1722636773 OYRNADBXWCVYAG-UHFFFAOYSA-N 436.991 4.528 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1722689298 RJPGCBIDUGHESJ-VXKWHMMOSA-N 447.583 4.619 30 10 IJEE N#CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCCCS2)CC1 1731184463 BDPMKASQZRDZRC-GOSISDBHSA-N 446.418 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C2CC2)CCC1 1740537933 AGXLNWVBRGIITN-OAHLLOKOSA-N 443.389 4.754 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(CCOC)CCCCC1 1740666425 PHDZDAPGMAHFAP-UHFFFAOYSA-N 431.584 4.940 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCCN1CCC(C)CC1 1740675383 AIEQYUKCFFNOMW-UHFFFAOYSA-N 439.623 4.867 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H](C(C)C)N1CCCC1 1740677225 RNJDTUDJHZDQAP-XMMPIXPASA-N 437.607 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCCN1CCC 1740730095 TTWICIHYKBGFMV-NTKDMRAZSA-N 426.008 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740760008 NKTUVBXNKZFBEU-RRPUWOKSSA-N 445.007 4.689 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](c2cccnc2)C(C)C)CC1 1740829154 MJKXCLPKSAJYMD-DEOSSOPVSA-N 447.583 4.857 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)c2ccco2)CC1 1740836349 JDRUADBTFFDRJG-QHCPKHFHSA-N 442.947 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2cccs2)nnc1[C@@]1(OCC)CCOC1 1740852522 OZBVHBUUPKOLFJ-FDDCHVKYSA-N 430.618 4.936 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1740855107 LKQQUYFMZIEZOU-FGZHOGPDSA-N 435.572 4.773 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1741002772 RHBDYCUOCFDRJN-FQEVSTJZSA-N 432.609 4.711 30 10 IJEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)[C@@H](C)CC#N 1742656035 BDPZSTGJDSQHPL-SFHVURJKSA-N 449.603 4.507 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(OC)cc1 1748651648 PJHOMDBPISSVCJ-ROUUACIJSA-N 434.609 4.841 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](OCC)C1CCCC1 1748673353 FYQAPDCOCHOPKC-PGRDOPGGSA-N 429.008 4.966 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cc(C(C)(C)C)no1 1748777888 ZYZZDGOSFFBOFJ-UHFFFAOYSA-N 445.523 4.520 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1OCCC1(C)C 1748876458 GTHRXHRYZWHKJO-LJQANCHMSA-N 431.367 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCN(C2CC2)C1 1749143947 PDPLMBOZUAEJAI-FGZHOGPDSA-N 437.632 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(NC(=O)CC(C)C)c1 1749156257 SQIMKQKYMVXJDC-OAQYLSRUSA-N 439.604 4.607 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1749211271 WMWWJESCFASWBS-QZTJIDSGSA-N 447.649 4.716 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(C)C)C1 1749269125 NQIMBIFCYJQFPW-SFHVURJKSA-N 438.016 4.627 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2nc(C)cs2)CC1 1749297065 ZLWVAEGZMVQYPA-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(F)c(F)c1 1749363375 BSQCCOIQPGHWGM-UHFFFAOYSA-N 443.498 4.523 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(C)cs1 1749373983 VZSZGPFUNLYUDD-UHFFFAOYSA-N 443.642 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCc3sccc3C2)nnc1[C@]1(OCC)CCOC1 1749377722 ZSGUIJVWGAFCNM-QHCPKHFHSA-N 430.618 4.547 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H]1CCOC1 1749390738 JAUFUWSRLWTACC-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](COC)C1 1749392823 AFKFSJNKVSSKPN-RDJZCZTQSA-N 439.387 4.848 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749395647 MROPQWYEMAECLR-GOSISDBHSA-N 430.980 4.729 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1cccs1 1749449884 XAIUUENLYFUYTK-QGZVFWFLSA-N 429.977 4.989 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H]2CCCCCC[C@H]21)C(C)C 1749557014 FIILUSPHKNXFQV-MOUTVQLLSA-N 441.664 4.640 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](CC)N1CCCC1 1749564696 XWTQGFLHSQPIFW-HXUWFJFHSA-N 444.421 4.760 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1760281777 WQGGPYAPYQEOEW-HXUWFJFHSA-N 440.588 4.541 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCC1(F)F 1760329654 HCAGSGBAAADCEI-WIYYLYMNSA-N 426.552 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)c1ncc(C)s1 1760335240 VJESKFYBNRCPQQ-OAHLLOKOSA-N 449.584 4.565 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1760341913 DNSOGKCTYYSYSW-PKOBYXMFSA-N 430.980 4.901 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1760368024 XESQDZGSKVYVCN-FDDCHVKYSA-N 446.979 4.576 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCSC1 1760370831 GIEFLPOEOIIBRS-GFCCVEGCSA-N 431.762 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760409948 NRXOYJOMOKOWHY-QGZVFWFLSA-N 442.007 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1760416140 VLSWGJADBDEPAI-XMMPIXPASA-N 430.568 4.994 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCOc1ccc(F)c(F)c1 1760491461 IEKXFGUDECOJFT-UHFFFAOYSA-N 431.874 4.529 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CCSCC 1760510517 AZZZIINFVZQXOV-ZWKOTPCHSA-N 437.654 4.547 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1 1761173642 HMYTVEKREMSGGP-UHFFFAOYSA-N 432.572 4.701 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2C)C1 1766795156 HBXHELFUGFZYEN-OAQYLSRUSA-N 432.597 4.681 30 10 IJEE CC(C)(C)C1CCC(O[C@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860622964 OVULCICKUWCYOZ-FOJYNEPKSA-N 429.601 4.883 30 10 IJEE CCN(Cc1ccccc1)C(=O)C(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 1860637496 ZINKHKNFUIOXLF-JQIJEIRASA-N 429.516 4.905 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 1860734600 HOWVXDXRYAINMQ-MZGPIIHUSA-N 433.548 4.797 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862381292 WOPFGMFHRKUIMG-IBGZPJMESA-N 445.302 4.699 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446533 UZYOKRYOKDNRJG-LJQANCHMSA-N 429.806 4.990 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1c(F)cccc1Cl)c1c(F)cc(F)cc1F 1862460196 IYEXHDQMNNGURO-KRWDZBQOSA-N 425.765 4.637 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(=O)O)cc1 1862546853 HIHMHYCBHKDWIP-QHCPKHFHSA-N 447.531 4.888 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862596092 RUGWJTXHAHOZHH-QHCPKHFHSA-N 448.519 4.659 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1c(F)cccc1Cl 1862619771 BYVRXOIVHSEWNG-ZUOKHONESA-N 445.918 4.736 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(O)c2)cc1 1862661308 DABQAAORUQPKHX-HSZRJFAPSA-N 428.488 4.689 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862663799 ULKLYVQTFWPZSO-GGAORHGYSA-N 435.520 4.576 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)cc1OCC 1862684170 QYOKEOPAWGNCLF-NRFANRHFSA-N 427.472 4.610 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C)cc2)c1 1862699736 XGGHRMSRSOLMAL-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCCOc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1 1862921662 ZNFVTOROZJHYTJ-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OC)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863365526 NKMXDAMKVVYQFX-UHFFFAOYSA-N 440.499 4.652 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(C)ccc3C)C2=O)cc1 1863402967 PLFWWQJIOYXPEP-UHFFFAOYSA-N 435.527 4.918 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(Br)cc(C#N)cc2Br)c(C)c1 1865873725 WSGIGWALMXALGZ-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c[nH]c3c(C)c(C)ccc3c2=O)c1 1866075784 YPHJAJULIXFUOA-UHFFFAOYSA-N 435.483 4.808 30 10 IJEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1ccc(F)cc1 1870348299 RNIUPGBJWZBNQC-UHFFFAOYSA-N 447.554 4.913 30 10 IJEE CCCCCCCOc1cn(CCCN2CCCC2=O)c(CN2CCCCCC2)cc1=O 1870409167 KKUVXOJNYHWUCX-UHFFFAOYSA-N 445.648 4.586 30 10 IJEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CNc1ccccc1C(C)C 1870931484 WNSOFQSRCZSMHK-UHFFFAOYSA-N 437.584 4.551 30 10 IJEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Br)cc1C 1870987311 RPYVFENIPBQWND-UHFFFAOYSA-N 435.362 4.521 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc2c1O/C(=C\c1cccnc1)C2=O 1871374218 YHFHJBADIVLTOZ-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)cc1OC 1871405119 NVBDBMRTPJCPNU-DNPFKWNUSA-N 445.471 4.726 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccc(OC)c1OC)C2=O 1871432394 BDOABJTXXRSTES-MKYLKIGJSA-N 440.492 4.739 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@@H](C)O[C@H](C)C2)[nH]c(=NCCCCCCCC)[nH]1 1871469055 OEZSAQWWILACMW-FGZHOGPDSA-N 448.700 4.874 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872084834 AWUYDSGIGRNDGB-SBUREZEXSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872243791 ZBQUBCPCGHSGNV-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CC 1872281865 QXFHVADXOLCVBE-QHCPKHFHSA-N 428.598 4.612 30 10 IJEE N#Cc1cccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3ccccn3)C2=O)c1 1873285446 HZJJDUNMRCBKEM-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cc(C)c(C)cc2Br)[nH]1 1873469663 ALYIOZUZNKMTIK-UHFFFAOYSA-N 449.356 4.958 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N(CC)CCc3ccncc3)ncnc2n1CCCC 1873553478 ZMSBXRJUHMQSSY-UHFFFAOYSA-N 446.599 4.510 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3CCOCC3)ncnc2n1CCCC 1873581401 LAWKOHDSBDJVPK-UHFFFAOYSA-N 443.636 4.939 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874238813 RBMSUXZLPDGIRF-YDZHTSKRSA-N 444.944 4.775 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874259088 NHIRKEMYTAOODX-BUVRLJJBSA-N 440.569 4.908 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccccc1O 1874314166 GEHXUNJRSQWHMU-YZSQISJMSA-N 444.560 4.952 30 10 IJEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 1874439584 JBLXKNQUZDXDIV-OEAKJJBVSA-N 439.541 4.958 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2F)cc1 1874472425 FDGHWZRKNKPMDV-PCLIKHOPSA-N 441.576 4.627 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cc(C)ccc2O)cc1 1874494390 ZLBSJHQYEUZCGP-AFUMVMLFSA-N 449.580 4.735 30 10 IJEE Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2COc2ccccc2)cc1 1874561390 PLYLJNNAHUGYJR-MFKUBSTISA-N 430.533 4.915 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3F)c2)c(OC)c1 1874714253 LZNSYQALZNQKNQ-XYOKQWHBSA-N 436.435 4.967 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCCOc3ccccc3)n21 1875031744 YONNRIAMXGIUJG-LJQANCHMSA-N 430.618 4.999 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1C 1875107165 DGVPGUMRVNLUSP-CSKARUKUSA-N 444.549 4.966 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1Br 1875143277 RMNQJFWGJUTFRP-FNORWQNLSA-N 433.298 4.604 30 10 IJEE O=C(Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-])c1cnccn1 1875189304 JPVLCQMLCFQNSO-ORCRQEGFSA-N 444.230 4.807 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)CCc2cccc(OCc3ccccc3)c2)CC1 1891509698 QWKHNQTUOGZQFG-UHFFFAOYSA-N 441.531 4.535 30 10 IJEE N#Cc1c(F)cccc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1902371131 DGHFJULUZSOTNG-UHFFFAOYSA-N 441.462 4.707 30 10 IJEE C=CCC1(NCc2ccc(Br)c3cccnc23)CN(C(=O)OC(C)(C)C)C1 1922273830 WCHJZZWXWJBZSY-UHFFFAOYSA-N 432.362 4.653 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](Nc2cc(Br)c(C#N)cc2F)C1 1962884459 MYUGHNBSGHJNHT-JSGCOSHPSA-N 426.330 4.955 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)ccc(Cl)c1F 2037660408 VHEASHXXCAPOHA-BBRMVZONSA-N 433.749 4.809 30 10 IJEE CN1C(=CC(=O)COC(=O)C=Cc2cccc(Br)c2)C(C)(C)c2ccccc21 2040421011 MKNUCCJUHVOHCI-UHFFFAOYSA-N 440.337 4.886 30 10 IJEE CN(CCOCc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2052613205 CFLJNAUZAIOTHW-UHFFFAOYSA-N 435.295 4.658 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(C)C)c(/C=N/O)c2I)cc1F 2079102428 PJYQCBFAYRKZMC-AAWXNRKFSA-N 441.288 4.866 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1cc(Br)cnc1C#N 2167614616 URAQKJWSELUULK-DYVFJYSZSA-N 435.366 4.601 30 10 IJEE N#Cc1cc(NC(=O)CCCCCNC(=O)OCc2ccccc2)ccc1Br 2220586342 JXJFGAHGGGAGMV-UHFFFAOYSA-N 444.329 4.746 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2235732472 SGETXLHUCQLWTK-PKOBYXMFSA-N 437.422 4.966 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2255528212 YLQNXKYPHMYFGS-GOSISDBHSA-N 425.353 4.812 30 10 IJEE C=C([C@H](NC)[C@@](C)(O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2266556215 FHRYFGLYAPVPTM-AAEUAGOBSA-N 427.278 4.502 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1 2269001058 VNESHYCYXIGGFP-UHFFFAOYSA-N 443.328 4.635 30 10 IJEE CC1(C)OB(c2scnc2C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C 2282520547 REEHZHJRXQLYNT-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE C=CC[C@]1(COc2cc(Br)cnc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2287766367 YNPPRZVNCSQYNL-FQEVSTJZSA-N 436.350 4.688 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](N)(C#Cc2cccc(Br)c2)C[C@@H]1C1CCC1 2296231475 DNTHFGPLGRBDMK-KNQAVFIVSA-N 433.390 4.698 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C(F)(F)CN(C)C(=O)OC(C)(C)C 2296233407 XMDHJWRZJAFOAS-QGZVFWFLSA-N 445.348 4.671 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C12CC(CN1C(=O)OC(C)(C)C)C2 2296288279 FDNGUJQZJRSXLP-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2296308463 IZPIBGLBWWOISR-IYWMVGAKSA-N 433.390 4.567 30 10 IJEE CC1(C)C(=S)N(c2ccc(C#N)cc2)C(=NC2CCCCC2)[C@H]1N1CCSCC1 2297382582 FLAGTMGGFZGMQU-HXUWFJFHSA-N 426.655 4.880 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)ccc2O1 2297742376 JBVYEZXSXVCQOM-JLCFBVMHSA-N 449.890 4.878 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=CC=Cc3ccccc3)n2)cc1Cl 2313800450 DYAUQQTVXRQVEV-UHFFFAOYSA-N 426.933 4.608 30 10 IJEE CCOc1cc(C=NNc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)ccc1OC(C)C 2322586035 BRNMMWZENNTYRI-UHFFFAOYSA-N 440.931 4.826 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cc(C)ccc2OC)cc(Cl)cc1OC 2322643122 SAFJNHLWMDTZPD-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324304870 KJYLTUVLQMGMNG-ZDUSSCGKSA-N 444.867 4.542 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)C=Cc1ccc(Cl)cc1 2325951343 WIWSLLMFFHYZII-UHFFFAOYSA-N 435.936 4.519 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1sccc1C 2326797759 WTTWFOOEAQQPQV-UHFFFAOYSA-N 428.583 4.952 30 10 IJEE O=C(N[C@@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1cccc(Cl)c1 2328096395 WUVBJVHGMOMMRW-IEBWSBKVSA-N 437.754 4.780 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329673795 OTBPNCZRMUHFOE-UHFFFAOYSA-N 434.974 4.653 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2330792429 GAZXJDLPWNUGKJ-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE C=C(C)CSc1nnc(COC)n1N=Cc1ccc(OCCCCC)c(OCC)c1 2331575265 HIUKRUNEEFLABS-UHFFFAOYSA-N 432.590 4.943 30 10 IJEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339535460 LZFSXQMVNPYKQF-PKOBYXMFSA-N 443.397 4.608 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339606992 YDWZHBLNEVGAFA-WKOYGUFESA-N 444.381 4.798 30 10 IJEE Cc1scc(CN(C)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1Br 2369671458 YFDSJQYBTYDNDT-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 14877709 JYHCVZMPAPIRKB-IBGZPJMESA-N 447.482 4.702 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c[nH]c4ccccc34)n2)cc1 21076620 RXSRGQRKSNADQP-DHRITJCHSA-N 447.568 4.760 30 10 IJEE O=C(C[C@@H]1S/C(=N\C2CCCCC2)NC1=O)Nc1cc(Cl)c(Cl)cc1Cl 21132949 NZYKYANPAQZNEJ-AWEZNQCLSA-N 434.776 4.896 30 10 IJEE COCOC(C)(C)C#C[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C 26522227 KZCGXVQSDRGSNX-WQPSZVRUSA-N 442.596 4.828 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(OCC)c(OCC)c1 38705781 UCECJGQYWZXVCH-RUZDIDTESA-N 447.535 4.928 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1CN1CCCC[C@H]1C 63401448 XGFYCNFMRMUXLP-HXUWFJFHSA-N 436.556 4.867 30 10 IJEE COc1ccc(/C=C\C(=O)c2cc(C)nn2C)cc1CSc1nc(C)cc(C(F)F)n1 96576956 ANAGYXRYTCDDKV-ALCCZGGFSA-N 444.507 4.962 30 10 IJEE CCOc1cc(/C=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc(Cl)c1OCC 169894987 HTOOANBVHLJBIR-MSXFZWOLSA-N 447.322 4.783 30 10 IJEE CCCCCCOc1ccc(/C=N/NS(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 169904622 RLDLFTXXYMBODQ-LFVJCYFKSA-N 432.586 4.892 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929730 RCZNXIDUCZIGTF-LJQANCHMSA-N 438.480 4.691 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971825 JEQXPNFQVYVYEV-QHCPKHFHSA-N 447.437 4.991 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccs2)cc1 169985177 ZQGAKSDBUSSUCP-QFIPXVFZSA-N 447.512 4.865 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccncc2)cc1 170015414 CIXBCGKOEQODAV-QHCPKHFHSA-N 439.471 4.677 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccc2)c1 170054671 IHESWXPXWWVTBQ-XMMPIXPASA-N 438.483 4.955 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 170060724 UDWMFIFSMKFPAQ-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2C)cc1 170088959 PODUZBWNNXZPTP-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccccn2)cc1 170175982 JEUDXXJWYTWBIK-DEOSSOPVSA-N 431.451 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccnc1)c1c[nH]c2ccccc12 170184327 IHVZTOLNANWJIN-OAQYLSRUSA-N 431.398 4.624 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2cccnc2)c(C)c1 170185092 YBQOGCDYFKKBBF-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccnc2)cc1 170197492 DSYWYOPHZIVKEC-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccncc2)cc1C 170205266 GUXVVJCNJKXITE-QHCPKHFHSA-N 444.487 4.586 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 170234939 DLNOXTOCEGINGJ-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccc(O)c2)c1 170258627 UMXBKHCMZXDHNQ-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(O)c2)c1 170258745 GPFSRSYXLBCZGF-HSZRJFAPSA-N 445.471 4.670 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)c1 170259770 AEVDFCLIFSRWFU-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cn(C)c2ccccc12 170269609 KIDAAZVDAJSPFG-QHCPKHFHSA-N 432.520 4.954 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccco1 170287995 UJBPUIRTNNBWQG-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2sccc2C)cc1C 170314677 KTPDVSKKMUCZMG-FQEVSTJZSA-N 435.501 4.862 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCOC)c1 170323122 YBICNUKCRPSMBO-XMMPIXPASA-N 445.515 4.853 30 10 IJEE Cc1cccc([C@@H](C#N)C(=O)c2cc(Br)ccc2I)c1 235928905 OZKCOEJLEYDRAL-CQSZACIVSA-N 440.078 4.852 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(Cc1ccc(C#N)cc1)C1CC1 460554868 DHCAKZPIFXMLIE-UHFFFAOYSA-N 429.524 4.579 30 10 IJEE C=C(C)[C@H](NC(=O)C(=O)Nc1nc2c3c(ccc2s1)CCCC3)c1ccc(F)c(F)c1 477629833 FMEBSQOOKIAZMK-IBGZPJMESA-N 441.503 4.825 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccc(F)cc1 480394138 HJNFEEMGIYKXCL-UHFFFAOYSA-N 426.517 4.612 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)NCC[C@@H]2COc3ccccc3O2)cc1 484607433 QLZBPQMQIUPQAY-HXUWFJFHSA-N 430.529 4.810 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 505010400 GKQRBHNOCQMKON-UHFFFAOYSA-N 429.524 4.844 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Nc3cccc(Br)c3)n2)cc1 505750664 MCYUYZJYHYWUPZ-MRXNPFEDSA-N 428.311 4.827 30 10 IJEE C=CCn1c(N(C)Cc2nc(C(F)(F)F)cs2)nnc1C(F)(F)Oc1ccccc1 508467424 YESMXRSSEGPWMB-UHFFFAOYSA-N 445.417 4.704 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc3ccccc3n2Cc2cccc(OC)c2)cc1OC 524249934 ONVLHPKEAIAPSL-UHFFFAOYSA-N 443.503 4.919 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(F)c2)c1OC 526489123 GACJDPRZHPKJCR-QFIPXVFZSA-N 430.435 4.772 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccco2)cc(Cl)c1OC 526608375 CXONBONMXYFRHE-HXUWFJFHSA-N 436.851 4.879 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(N(C)C)cc1 526821068 ZCEJXSOYCDHQCD-XKZIYDEJSA-N 444.402 4.844 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Br)c2)nnc1N1CCC(C)(C#N)CC1 555272299 LNXNNHLPRLOCJE-MRXNPFEDSA-N 444.377 4.887 30 10 IJEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 564380448 RHKUIXKYQKFEND-SFHVURJKSA-N 436.478 4.611 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1 571809856 AKZIJCQOMDOKQX-SFHVURJKSA-N 448.910 4.993 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)N(CCCOC)Cc2ccc(C#N)cc2)cc1 586179907 TWLRQIGPPGCXFG-UHFFFAOYSA-N 428.598 4.908 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(C(=O)OC)c1C 604537946 OZVQAYIOXWPILE-UHFFFAOYSA-N 435.293 4.903 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 610766965 YBJBEYQYLAZNIJ-SFHVURJKSA-N 436.512 4.721 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(F)cc1)[C@@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698883174 GLPCMVOLZSGPIB-XMMPIXPASA-N 439.487 4.872 30 10 IJEE C=CCC1([C@@H](Cc2cccc(F)c2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722909819 LQCLOFPRVANGIA-QGZVFWFLSA-N 441.385 4.922 30 10 IJEE Cc1ccc([C@@H](C)CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)cc1 737414662 RUHHBFJQUCLWSL-HRAATJIYSA-N 439.556 4.538 30 10 IJEE Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2Cc1nnc(-c2cccc(C#N)c2)o1 771455359 QYBDXZNCNQGLBK-UHFFFAOYSA-N 445.523 4.674 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Cl)cc1Cl 787043680 BMLARVKHYDCJLB-OADPDTJPSA-N 437.273 4.961 30 10 IJEE O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1ccc2nc(O)oc2c1 794713477 DQOGAEBZFDJPKN-DAFODLJHSA-N 439.059 4.660 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)Cc1cc2ccccc2nc1Cl 795478794 AGUMTBYVLISCEF-UHFFFAOYSA-N 438.940 4.615 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C2 796226668 OEMBWZRNFWDOHK-DYWOKDFCSA-N 431.964 4.740 30 10 IJEE C#CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(F)cc1 799218628 IHDUWMDGAARGAZ-NRFANRHFSA-N 431.492 4.572 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](c2ccc(C)cc2)C1 802569811 DOVUVIVYJPPENZ-QHCPKHFHSA-N 445.567 4.583 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(F)cc1 812875621 VMKKQULIFPAAQA-JTSKRJEESA-N 433.483 4.543 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](Cc1ccccc1)OC)c1ccc2c(c1)OCO2 1124212168 HXWDAVVBPNGGCK-SANMLTNESA-N 445.515 4.771 30 10 IJEE COc1ccc(NC(=O)c2csc(C#N)c2)cc1NC(=O)c1ccc(Cl)cc1F 1125219861 BEOXKCIETOLBPB-UHFFFAOYSA-N 429.860 4.925 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 1125672249 GAVNHCVLYVEFLF-CTNGQTDRSA-N 432.333 4.893 30 10 IJEE C=CCOc1ccc(OC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 1126452086 OOQHLCXWCFQBEA-UHFFFAOYSA-N 433.489 4.790 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)N(Cc2cccc(Br)c2)CC2CC2)cc1 1128680938 HXKIYENYIUNTPE-QFIPXVFZSA-N 438.369 4.728 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2ccccc2OC)n1)c1ccc(Br)cc1 1129609223 QCQJTMSKXANMHA-INIZCTEOSA-N 427.323 4.686 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1 1131460793 UQYBWTXCCPEIKY-QGZVFWFLSA-N 434.337 4.787 30 10 IJEE CCOc1c(Br)cc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1OC 1134270564 HQKZYBRDPBOUPK-UHFFFAOYSA-N 443.341 4.748 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1136047565 BJEUGPBMQFMRHD-UHFFFAOYSA-N 426.582 4.799 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)cc1 1143799306 CNCNXNYLNDZDGZ-UHFFFAOYSA-N 444.322 4.592 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnn(C(C)C)c1)c1ccc2c(c1)OCCO2 1144704453 KCTHGGZQVGARRL-UHFFFAOYSA-N 433.508 4.647 30 10 IJEE C#CC[C@H]1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)C1 1148870778 AOZWYQZNMAXYBJ-KRWDZBQOSA-N 431.005 4.796 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)c1ccccc1 1149768735 UHCHGCUMZOZPIG-LPHOPBHVSA-N 429.358 4.566 30 10 IJEE CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1c(C#N)cnc2c(Cl)cccc12 1162225800 FCCWCPPDYBIGIR-CQSZACIVSA-N 435.833 4.655 30 10 IJEE C=CCn1c(SCC(=O)NCC2CCCCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1187948856 XJSYITSVIZUSJX-OAHLLOKOSA-N 445.654 4.557 30 10 IJEE CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CC=C(c2ccc(C#N)cc2)CC1 1192946278 IFSVZWGGYBSMRH-NRFANRHFSA-N 443.316 4.853 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1 1199534497 HZQTZEJZPUBQGO-FQEVSTJZSA-N 434.540 4.888 30 10 IJEE C#CCN(C(=O)N[C@@H](CCC)CCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1228710020 PZMCHAMFGFVZCG-QFIPXVFZSA-N 441.616 4.832 30 10 IJEE C#CCN(C(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCCc2ccccc21 1230020679 KTSKBTMIBZZRTE-IMIIGWPFSA-N 429.608 4.865 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C2CC2)C1 1286317451 MKJMERDEADAMJA-SFHVURJKSA-N 443.389 4.756 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](COCC)C1 1286318384 NPGISSUIHZWQMP-SFHVURJKSA-N 445.405 4.764 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCO[C@@H]1CCCC[C@H]1C 1286455798 ZITSXUNZHVEAPP-HYBUGGRVSA-N 447.558 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN(C)C(C)C 1286518529 WQTCPDJNOPSSLN-KBMIEXCESA-N 439.673 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CCCOCCC(C)C 1286520283 DTNJFUZZHVJICY-AREMUKBSSA-N 431.584 4.938 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)C1CCN(CCC)CC1 1286562823 TYJJKGWFNAEYGM-URXFXBBRSA-N 437.632 4.545 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286694101 KYYRCXVIYASLKO-CQSZACIVSA-N 425.396 4.597 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@@H]1OC 1286748055 SFLHAXIUUWOHKB-HJNYFJLDSA-N 428.552 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC1(SC)CCOCC1 1286749458 SOOYHKJDLRSKEN-IBGZPJMESA-N 448.658 4.686 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCO1 1286765927 KYZJETARAKBSSW-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCc2ccccc21 1286766856 YDCOEYTUOSSJPQ-SANMLTNESA-N 434.584 4.529 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1286778125 RNWMOXOEUFILKE-XLIONFOSSA-N 441.576 4.742 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 1286796959 QGQNBCOMRMZYMP-FCHUYYIVSA-N 440.588 4.527 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl 1294212245 ZQBIVAAPDYSADY-HUUCEWRRSA-N 429.344 4.793 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C 1300829457 DFUZOYISIFATTE-CZUORRHYSA-N 426.362 4.945 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)cs1 1300852665 BQLDIRZPKBSPIY-UHFFFAOYSA-N 438.420 4.549 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1300973971 AJRQSVUVCRTAJC-QHCPKHFHSA-N 432.996 4.833 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301027657 VGURBPDAZMIFCN-UHFFFAOYSA-N 433.261 4.699 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1301079193 BJIZSQVCXXPHJM-XMMPIXPASA-N 447.583 4.980 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCCC1CCOCC1 1301339240 JXERHABVMHRSFK-XMMPIXPASA-N 449.599 4.791 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1301384434 PSTJHUBRXDYREF-FQEVSTJZSA-N 425.577 4.673 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@H](C)C(C)(C)C2)cc1 1301527636 ZMRAKQXTZIRFQZ-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CC=CCC1 1301611841 SBEWYRZHGJOVSN-GHTZIAJQSA-N 426.586 4.502 30 10 IJEE CC(C)(CN1CCCC1)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1302344848 FIDBSPZQJQTWBC-DEOSSOPVSA-N 441.023 4.851 30 10 IJEE C=C(C)COc1cc(CNC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1OC 1308299285 GOBYDCNYMYLAIY-PKOBYXMFSA-N 434.577 4.500 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1309335048 PTGCEJOMAOSZPJ-WRHNGFHOSA-N 446.516 4.704 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 1310863556 NACBNGFFSHNARD-SWLSCSKDSA-N 437.256 4.635 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1csc(-c2ccc(Br)s2)n1 1353667055 KKGNVDMNHRVXLT-UHFFFAOYSA-N 433.352 4.576 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1354700227 YDUDHGQKMFPGSL-QHCPKHFHSA-N 429.557 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCCN1CCCC1 1358877842 LPRNSHQHIPWEDU-FQEVSTJZSA-N 439.673 5.000 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1N(C)CCCC1(C)C 1358939867 HVKNQVDMKBLPAP-FQEVSTJZSA-N 448.640 4.567 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[C@@H]21 1359061223 VORJFGRDKPTNOW-YOEHRIQHSA-N 437.396 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359093081 JWCJHTSUMBVGFG-ZLNRFVROSA-N 438.616 4.740 30 10 IJEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359229059 XGNSDVBTMVPTPE-DENIHFKCSA-N 449.426 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359237290 RVRNDNGBDDDYJA-BGYRXZFFSA-N 434.632 4.816 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1359242585 LJLKSQYXYIKEAQ-QHCPKHFHSA-N 435.641 4.855 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CCC1(C)CC1 1359279860 VYIGNUYWMWXHHL-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1359285094 FIOYWNBOJKNQJU-ZWKOTPCHSA-N 445.405 4.845 30 10 IJEE C=C(C)C(C)(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1440966114 GPFQJUAIPZEXOI-DHDCSXOGSA-N 427.353 4.748 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(F)c(F)cc2NC(C)=O)s1 1442814609 AIZSGIOQQAJJEG-UHFFFAOYSA-N 431.917 4.714 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1CC(=O)c1ccco1 1445582888 LDJGIPLUEMJXCP-RBUKOAKNSA-N 432.561 4.873 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H]3COC(=O)NC3CCCCC3)c2)cc1 1449124102 CQNBQRWYSXGBKH-DEOSSOPVSA-N 446.551 4.965 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 1451328000 KSMOWCRHIVXXAT-HXUWFJFHSA-N 438.524 4.544 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccc(C(F)(F)F)n2)cc1OC 1461511600 AWHWAYXPRNCGPD-UHFFFAOYSA-N 431.252 4.726 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 1463840202 FYPFZSPWUCJYIK-QGZVFWFLSA-N 435.336 4.657 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OCc2ccccc2)cc1 1464642010 RVNTXGKKJBWJAB-SANMLTNESA-N 431.557 4.967 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cc(Br)ccc1-n1cccn1 1465611936 VQKBNFUCDIDQHC-UHFFFAOYSA-N 429.293 4.994 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc(C(F)(F)F)c1 1466360609 DUBXVJBDNRMXAB-SWLSCSKDSA-N 426.439 4.544 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C 1467306148 ZSGWEBRJEBNGKH-FHWLQOOXSA-N 436.980 4.522 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 1467639893 XDAZQXARTLFHFT-HOFKKMOUSA-N 446.639 4.943 30 10 IJEE C#CCN(CC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)C(=O)OC(C)(C)C 1467719864 XDTQRCNSNPFAPB-UHFFFAOYSA-N 439.459 4.638 30 10 IJEE C#C[C@@H](NC(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(Cl)cc1F 1470667381 QPEAMDWXWQADSV-RTBURBONSA-N 439.959 4.734 30 10 IJEE N#Cc1cc(NC(=O)NCc2cc(Br)ccc2F)ccc1OC(F)(F)F 1476496613 BYLHPZUKWLLZOH-UHFFFAOYSA-N 432.171 4.680 30 10 IJEE N#CCCN1CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 1477853203 ACQXMXWVLAXAGD-NRFANRHFSA-N 449.357 4.657 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CCN(c4ccccc4F)C3)c2)s1 1477971583 HCESPGDEGYSUQN-GOSISDBHSA-N 434.540 4.752 30 10 IJEE CN(C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1503384310 AVEWRYTWZPFTHQ-HSZRJFAPSA-N 441.023 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H]1CCO[C@H](C)C1 1507523929 SPCWRYMCGSNEBN-OKYOBFRVSA-N 426.630 4.795 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1cccnc1)C(C)C 1507697977 GVHZBGUZYVAQRR-JOCHJYFZSA-N 437.975 4.805 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1507748789 UJJUTRDHKAHLSW-UHFFFAOYSA-N 446.567 4.726 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]2CCC[C@@H]21 1507757999 FXRBNBGGYGNFRQ-MOPGFXCFSA-N 442.654 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1507808140 XUGKVYADEIJMFM-QWIQJREVSA-N 429.008 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCN(CCC)C1 1507814336 BPVXYQVJKVCMAL-FQEVSTJZSA-N 434.588 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CC1([S@](C)=O)CCC1 1507823484 IXPPLNDQLYHPOO-LJAQVGFWSA-N 432.659 4.582 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCN2CCCC)CC1 1507886994 KFKIKQWWTXMVLE-QHCPKHFHSA-N 437.632 4.711 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC2(COC)CCC2)CC1 1507909483 HETGLMCDEBMTIQ-UHFFFAOYSA-N 442.629 4.798 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC)[C@@H](C)C1 1507926503 GFNMBPPSOLUJLM-SFHVURJKSA-N 446.437 4.903 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 1507937357 PFEBPIVSYFEWMS-UHFFFAOYSA-N 443.661 4.856 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC([C@H]2CCOC2)CC1 1507946949 SWVOSJCYTUYZAT-SFHVURJKSA-N 445.405 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1Cc1cccc(C(F)(F)F)n1 1508007695 FLAZWNATBFXDAD-UHFFFAOYSA-N 431.437 4.949 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CCC(=O)N1CCCCCC1 1508008937 RZMZWVCFXCTPKV-UHFFFAOYSA-N 439.579 4.670 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCS1 1508036498 DBIRWALMRKYYCR-LJQANCHMSA-N 437.613 4.726 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1508048020 WGOGDXNGAKNNMR-PMERELPUSA-N 440.638 4.835 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1ccc(Br)cc1 1508050717 KDDRNNFZLUVNDB-UHFFFAOYSA-N 432.753 4.621 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)C1(C)C 1516375292 CNHMDLTWACTUKL-QZTJIDSGSA-N 435.494 4.799 30 10 IJEE C#CC[C@@]1(C(=O)NCCOc2ccccc2-c2ccccc2)CCCN1C(=O)OC(C)(C)C 1519045296 JAXHJOZOQQGULL-MHZLTWQESA-N 448.563 4.642 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1=O 1520763154 CXFXMKNFUSTPGI-GOSISDBHSA-N 446.389 4.542 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)s1 1521409660 ADSRQWLPQSQOKK-LLVKDONJSA-N 444.981 4.872 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1521818308 CQAHEDKOMIKPRL-IFXJQAMLSA-N 448.744 4.855 30 10 IJEE Cc1cccc(N2C[C@@H](C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)CC2=O)c1C 1526174381 ADVLVQLJOQXSSR-LPHOPBHVSA-N 443.469 4.616 30 10 IJEE C#C[C@H](NC(=O)c1cnc(-c2c(F)cccc2F)s1)c1ccc(Br)cc1 1528087515 FGBFPSNZAHGQKM-HNNXBMFYSA-N 433.277 4.955 30 10 IJEE C#CC[C@]1(C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 1531212890 HFCBAMRFEAUEMV-IQMFZBJNSA-N 447.482 4.829 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc3c(F)ccc(Cl)c3s2)CCCN1C(=O)OC(C)(C)C 1531838543 RWACZSKCIIGTOL-FQEVSTJZSA-N 437.924 4.820 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(-c4ccccc4)ccc3Cl)C2=O)cc1 1536962193 GWBFOPRKCUICDK-QHCPKHFHSA-N 429.907 4.804 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1 1538434348 AWZQQEDRSGRIOC-WFASDCNBSA-N 431.758 4.662 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)n1 1538917740 QYMVFBJGYIEXSP-HAVVHWLPSA-N 435.474 4.707 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1CCCC[C@@H]1C 1539035099 MDKJWACAZYSALR-SFTDATJTSA-N 425.646 4.601 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1csc(CC)n1 1539306420 XMTXTMMDNYGHCN-UHFFFAOYSA-N 444.391 4.782 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 1539691119 ITYICOMDVGCTCL-STQMWFEESA-N 425.758 4.551 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1539835197 AETYWLLRWBGZJI-QFIPXVFZSA-N 439.604 4.825 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC1 1539945962 XUUQVGSATNJQKP-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1540049492 MVSBQSPLSGXYEK-YDIMBITNSA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)C(C)C 1540139527 AGINQTVBYSRKGZ-OAQYLSRUSA-N 431.993 4.655 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)C(C)C 1540147966 XZMLUDSFHBOYKH-HSZRJFAPSA-N 428.577 4.669 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1540922303 KAZHUOAUWLVVLZ-MOPGFXCFSA-N 449.665 4.896 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 1544706542 SNPANFKEIRUZDQ-GOSISDBHSA-N 438.490 4.550 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)c2cn[nH]c2c1 1558456075 DCISOGLKJSCXPM-AWEZNQCLSA-N 432.830 4.556 30 10 IJEE C=CCn1c(SCCO[C@H]2CCOC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1559307646 OOGOCBLFGDJWDY-KRWDZBQOSA-N 428.579 4.517 30 10 IJEE C#CCN(Cc1cc(=O)oc2cc(C)ccc12)[C@@H]1CCOc2ccc(Br)cc21 1559543774 FAVUPSWFJADGDZ-HXUWFJFHSA-N 438.321 4.823 30 10 IJEE C=CCCCCCCNS(=O)(=O)c1cc(Br)cc(Br)c1 1561550648 NFXNPEYZBGPZEW-UHFFFAOYSA-N 425.186 4.626 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCCC)[C@H](C)c2ccccc2)cc1 1562197398 LAVUIZXYTRATKF-LJQANCHMSA-N 429.586 4.888 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1584398587 QVZYUJNNFKIESS-WZONZLPQSA-N 442.581 4.669 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)c1ccccc1 1584435287 GXYYVAGJQJHUDS-UXLLHSPISA-N 427.180 4.701 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 1587165697 YIWCMJBMGQHADL-NJYVYQBISA-N 431.454 4.915 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCCc1nc(C)cs1 1587916052 ZOBIEUIALOEKHU-FQEVSTJZSA-N 437.613 4.892 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1CCCCO1 1588265601 FCGOBIQDLDJBNR-QUCCMNQESA-N 430.980 4.880 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCO1 1589347589 SEHKSVZPOVIWKZ-CYBMUJFWSA-N 446.176 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCc2cccnc21 1589687375 CSQJOAWIWZRHHS-HXUWFJFHSA-N 435.547 4.914 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2Cc2cc(C)no2)CC1 1594122455 QHOKCBDWOOTUTG-UHFFFAOYSA-N 441.963 4.753 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(CCOC)CCCC2)CC1 1594122508 RKKVVEBRTPYSSZ-UHFFFAOYSA-N 438.616 4.825 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C)CCCC2)CC1 1594182294 XAVAATGNLJIEAG-UHFFFAOYSA-N 442.007 4.844 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1594788266 JLWCCUURTYCTHN-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCCCN1C(=O)c1cccs1 1596874794 PUXWQGJSDDFPKX-MRXNPFEDSA-N 449.370 4.709 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)c1ccc(F)cc1 1596936330 HWGLQHMNWVJTDG-AREMUKBSSA-N 443.518 4.944 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 1616735196 SUNGMWUHJYRXBR-UHFFFAOYSA-N 434.511 4.710 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCCc2ccccc2)nc1 1617289725 XJCJSRJKSGJMPB-LJQANCHMSA-N 445.947 4.678 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c1 1622954784 VEDJYTVCTBTVBK-UHFFFAOYSA-N 425.529 4.940 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 1623965789 KSQKVNKDMGZQMY-UHFFFAOYSA-N 447.988 4.918 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)cc1OC 1624022727 IPVIWLNYYHBWDD-XOBRGWDASA-N 434.330 4.529 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)c1cccs1 1627737772 HELJYPHRFUWYGJ-MRXNPFEDSA-N 449.960 4.975 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C 1629600384 CVWBINPQJXTUJQ-OAHLLOKOSA-N 439.350 4.742 30 10 IJEE C=C[C@](C)(O)CC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1630132340 FEMFXTLQOMEOAI-NQIIRXRSSA-N 439.408 4.598 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 1630227652 LJYFVNUNQAZNGT-CQSZACIVSA-N 439.364 4.832 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)n[nH]2)cc1 1632262293 FGTISBKVCTYHRI-UHFFFAOYSA-N 442.450 4.927 30 10 IJEE C=CCC[C@H](NC(=O)NCCCN1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1633470958 KRWFWPIHEBBKEA-XLIONFOSSA-N 427.511 4.513 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1OC 1638344130 KDDBZKUJERHHEO-RUZDIDTESA-N 444.572 4.513 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O 1645353164 BLFJCKUFCIPJTG-AOMKIAJQSA-N 438.524 4.526 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCCN2CC(F)(F)F)cc1F 1659554198 HMUVQAXUDKRTOL-MRXNPFEDSA-N 436.409 4.638 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl)c1ccccc1 1662323644 MWEWKFZGHASKOR-HNNXBMFYSA-N 433.154 4.799 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCC[C@](C)(CC)C1OCCO1 1662573390 IWGOKIGEXHZWQE-FQEVSTJZSA-N 441.366 4.705 30 10 IJEE COc1cc(NC(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)c(F)cc1C#N 1663619856 HYTPPQXDZXICED-UHFFFAOYSA-N 432.427 4.514 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1OCC(F)(F)F)c1ccc(Br)cc1 1667107253 WMXHICQNYFCBEX-MRXNPFEDSA-N 441.247 4.564 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)CC2)c(F)c1 1669331095 DXDNIGIKCCKYNP-UHFFFAOYSA-N 441.919 4.828 30 10 IJEE C[C@H](NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1nc(C(F)(F)F)no1 1670754149 CZJIOVJQQPQTTJ-CDUCUWFYSA-N 434.699 4.545 30 10 IJEE CS(=O)(=O)c1cccc([C@H](NC(=O)Nc2sccc2C#N)c2ccc(Cl)cc2)c1 1671449186 BFBWOTOFCJOPSX-GOSISDBHSA-N 445.953 4.588 30 10 IJEE N#Cc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1Cl 1672099924 AMDJGAAMTXXBBT-SHTZXODSSA-N 436.712 4.859 30 10 IJEE Cc1cc(Oc2ccccc2)ccc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1674275048 FOFVEXCDGZKEBD-UTKZUKDTSA-N 436.512 4.668 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)C1 1675159242 BGTDGQYBRBCBQX-ZDUSSCGKSA-N 429.318 4.644 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 1677287384 DCBACNNHGAEHNA-MRXNPFEDSA-N 448.633 4.546 30 10 IJEE C#CC[C@H](NC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1 1680515174 JYIJWPAFHCPIPC-HKUYNNGSSA-N 444.375 4.519 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2OC)cc1 1682742472 JYUUTOTVZCSOLD-FQEVSTJZSA-N 443.341 4.516 30 10 IJEE C=CCC1(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CCCC1 1684166101 UAJOZOCMXPEOPR-NRFANRHFSA-N 434.024 4.928 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCC1(Cc2ccc(Br)cc2)CC1 1684552376 BQFVMDMHOZLCSW-UHFFFAOYSA-N 429.358 4.836 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C2CCOCC2)C1 1689919667 WGQZXNOJQFQHAD-QGZVFWFLSA-N 433.383 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCCC1(C)C 1690256807 WTSVDUZKXBDCIN-KOSHJBKYSA-N 430.568 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC2(CCCCC2)O1 1690257723 RRYIQSDLOQLHRC-OFVILXPXSA-N 446.636 4.603 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1690365901 KKXCIIDMMYCUEB-IBGZPJMESA-N 433.547 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H]1C 1690419516 UXRHERYNMGLGAH-DLBZAZTESA-N 429.996 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1COC(C)(C)OC1 1690424729 YIBXAHXSVIDVGI-UHFFFAOYSA-N 449.599 4.931 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)CC1COC(C)(C)OC1 1690456308 CNTUEDPHFWLDLC-UHFFFAOYSA-N 435.572 4.685 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1690461048 SSMKYRUBXWTNPT-QHCPKHFHSA-N 430.600 4.716 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2sccc2C1 1690511188 SFQQTQIXGVJJJE-UHFFFAOYSA-N 444.988 4.727 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OCC(F)(F)F)C1CC1 1690542446 OZHQICJPXDWTKG-UHFFFAOYSA-N 443.473 4.793 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCO[C@H]1C(C)C 1690586176 GSIQMQXMLAHXQL-REWPJTCUSA-N 432.572 4.575 30 10 IJEE CC(C)N(CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1692482889 HXVNBCCNLWDGBZ-AREMUKBSSA-N 447.631 4.599 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@](F)(C#N)C2)s1 1693305514 FGBGYHSMFQTRRQ-MPBGBICISA-N 448.930 4.748 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2Br)[C@@H]1C 1693709041 CZEWCXZPSACPRH-UONOGXRCSA-N 442.386 4.924 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C(F)(F)F)cs2)[C@H]1C 1693709995 HKSHZYZZHKCIBE-KBPBESRZSA-N 446.502 4.769 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1csc(C(C)C)n1 1705477478 OOFBIYNMLAVXIX-IAGOWNOFSA-N 441.576 4.838 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@H](c1ccsc1)N(CC)CC 1705486589 HWWCQLGEGOAPNA-UWJYYQICSA-N 425.577 4.687 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CC(OCC)C1 1705607319 YMDXCNHSEZUPON-UHFFFAOYSA-N 426.630 4.940 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCCC2(C)C)CC1 1705633069 IMRPYXXBQUCBAP-XZOQPEGZSA-N 449.643 4.616 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1c1ccco1 1705682300 WMKQYJGLKKPQBT-QGZVFWFLSA-N 429.318 4.797 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1705724665 FYERIFLLDMOXSH-LJQANCHMSA-N 431.378 4.852 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1705726942 SDWQYINERBEZCW-SFHVURJKSA-N 429.559 4.748 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2)CCC1 1705882522 ZYXHIOSGONYPRP-UHFFFAOYSA-N 437.975 4.754 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[C@@](C)(CC)O2)C1 1705918141 DEEDABXRSDDBSF-IEGUWTFLSA-N 430.980 4.728 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC(C)C)C1 1705919656 IIKVTPDRRRGMKY-QFIPXVFZSA-N 426.605 4.839 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CCc1ccccc1C(F)(F)F 1706462042 AOWJDSSZBLGEGI-LJQANCHMSA-N 449.521 4.810 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCCCCC1 1722343394 BSPJASOXTDPXCE-IBGZPJMESA-N 445.007 4.843 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cc(C(C)(C)C)no1 1722415082 IXGJDNPYCPKNDI-UHFFFAOYSA-N 449.599 4.948 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccccc21 1722479023 DYMRTRAFWIEMNG-UHFFFAOYSA-N 449.150 4.639 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)CC1CC1 1722494501 CFKLUGQQBOUCHL-FXAWDEMLSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(OC(C)C)c1 1722503192 BUFDWXIIFJQWEK-URXFXBBRSA-N 449.599 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCCCc1ccccc1 1722506495 MTCMCJWYCPEUHR-UPVQGACJSA-N 433.600 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CC(C)(C)OC(C)(C)C1 1722510535 SGZSJPXLVAXPFC-GMAHTHKFSA-N 438.616 4.552 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OCCC)CC1 1722529395 ZMPJZOTZBXEPIF-OAQYLSRUSA-N 432.996 4.977 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1722533790 ZQZMYDQAOPUJAU-VXKWHMMOSA-N 431.669 4.550 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(Cl)cc2OC)CC1 1722566836 AEMQBBVNVDFSON-UHFFFAOYSA-N 429.977 4.501 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1722575939 CKPIFLIEGIGSFU-IBGZPJMESA-N 437.632 4.950 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](N2CCCC2)C1 1722610707 BYTKXPZXSQBCNO-GOSISDBHSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1CC[C@@](C)(CC)O1 1722655672 PPLABAQMIVHEKC-ATIYNZHBSA-N 442.567 4.752 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@@H](C)C1 1722667298 CZGLTVIBLNQGMH-LSDHHAIUSA-N 437.407 4.763 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](COC)C1 1722707787 ZAYPWDFTZLQKPG-OAQYLSRUSA-N 447.583 4.515 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1722722442 OGUGHYXWJCMWLT-VQTJNVASSA-N 448.608 4.555 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1722741445 LRQUPAAWGQJYCV-UHFFFAOYSA-N 432.609 4.711 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CSCCS1 1740558582 TXQJHBWPRUOCTP-RBUKOAKNSA-N 444.670 4.595 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@](C)(CC)C1 1740584728 JGDRNPKTYJTBTO-SANMLTNESA-N 431.584 4.771 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740585162 WCZGDMVCADYIGU-LJQANCHMSA-N 442.350 4.638 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CCc1nc2c(s1)CCCC2 1740661677 HOZPUCFUNYUQSO-HXUWFJFHSA-N 433.625 4.858 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nc(C2CC2)cs1 1740682231 OEOKKLPFBSOGPO-UHFFFAOYSA-N 449.624 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1CCCCC1 1740757935 YHTOFFTUEGTUDR-PZJWPPBQSA-N 429.996 4.991 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740800582 GMQWLNKYBLXADQ-HSZRJFAPSA-N 445.995 4.541 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](OC)C(C)C)CC1 1740820513 HCSCHHLDWGDQRZ-GOSISDBHSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCOCC2)CC1 1740846625 FXRPXLZEJYXIAM-UHFFFAOYSA-N 444.023 4.502 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C(C)C)N1CCCC1 1740894044 HGJSNDGSRQXUKM-QUCCMNQESA-N 427.662 4.874 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1sc(C)nc1C)C1CC1 1740906166 LWXBYZTWNAPKMI-OAHLLOKOSA-N 427.549 4.834 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740945751 RIKBNUNUTHKJSX-XMMPIXPASA-N 428.577 4.568 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(C)(C)C)CC1 1740968238 FZOCWFFXAQAGFK-UHFFFAOYSA-N 449.599 4.770 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)c2nc(C)cs2)C1 1740974616 GQOQVBHIHPDYEZ-LAUBAEHRSA-N 437.613 4.857 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1741005766 QOEUYQXKPVKLRY-UHFFFAOYSA-N 447.599 4.535 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@@H](C)C1 1749393443 VIOIPLZDJHLTIO-GJZGRUSLSA-N 437.357 4.817 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749409272 SXIGXMSGIUWXBH-NRFANRHFSA-N 439.604 4.897 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1COC(C)(C)OC1 1749413850 ZOYLHSTYTYMRCV-KRWDZBQOSA-N 448.995 4.873 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCC(F)(F)C1)C1CC1 1749514800 JASTUSCNSNOPKD-INIZCTEOSA-N 432.515 4.943 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@](C)(OC)CC1 1760130561 LSKZEMZOMKVBCF-HSZRJFAPSA-N 432.515 4.745 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@H]1CC 1760234717 RKEBOTKGAOAOBN-QHAWAJNXSA-N 443.636 4.678 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc2c(s1)CCCC2 1760236499 YBQFVNZJZCZNND-UHFFFAOYSA-N 440.016 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1nc2c(s1)CCCC2 1760332231 WMERLCXVGIBVSM-UHFFFAOYSA-N 443.020 4.974 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@](C)(O)c2ccsc2)CC1 1760382539 SHFWLKPYRCQSAS-HXOBKFHXSA-N 442.560 4.683 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1760406098 RXDKBURJMRKGTI-IBGZPJMESA-N 425.646 4.764 30 10 IJEE C=CCCCCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1C1(c2ccccc2)CCC1 1760430232 DAKPTLAAIDCPFF-UHFFFAOYSA-N 449.643 4.845 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760430798 UPSUPCPIOCYQSC-KRWDZBQOSA-N 448.036 4.637 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOC[C@@H]1C 1760446337 OGGLPYMTESSPPL-KRWDZBQOSA-N 442.560 4.631 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 1760530577 VUDAHADCMJWBTP-HDICACEKSA-N 439.510 4.681 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861069471 YUJHPAFNSJTOHX-RLHAVTDZSA-N 432.605 4.869 30 10 IJEE C=CCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 1861429959 QQBGHKICOHVHTP-QHCPKHFHSA-N 440.547 4.974 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862398634 YPSVGBAZRPZSFP-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc2cc[nH]c2c1 1862462903 BGYNJPDLCNZSJU-HXUWFJFHSA-N 428.410 4.820 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(F)c1 1862524539 HTDSHJXDOMMCNR-SFHVURJKSA-N 432.289 4.967 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862591562 JLGDYIITZQNRQD-QMHKHESXSA-N 429.472 4.740 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC(C)C)cc1OCC 1862684300 UBIVPGWGTLZNFE-JOCHJYFZSA-N 441.499 4.857 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 1862688157 SLXZIUPVJYBYLJ-WAIKUNEKSA-N 429.472 4.740 30 10 IJEE COc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1Cl 1862769081 PVYITDDOQJVTCK-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(c3ccc(Cl)cc3)C2=O)c1 1862859489 QQZPDQQOCAESNR-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3F)C2=O)c1 1863032334 IGFDDHSJNXOFHZ-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)cc1 1863072792 GYTSSKJOIIIZEH-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2Cl)=C(c2ccc(F)cc2)C1=O 1863149906 HXJIFJGBXNPINA-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(Cc3ccccc3Cl)C2=O)c1 1863299205 JXUXLXOQHQXRTO-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE N#Cc1c(NC(=O)c2cc(O)c3cccc(Br)c3n2)sc2c1CCCC2 1866545178 UTHQRKJIYFEWGI-UHFFFAOYSA-N 428.311 4.767 30 10 IJEE CC(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1ccc(C#N)cc1)c1ccc(Br)cc1 1866976545 DTCAEVSQWFCEFR-IBGZPJMESA-N 442.357 4.594 30 10 IJEE N#Cc1ccc(COc2cn(C[C@H]3CCCO3)c(CSCc3ccccc3)cc2=O)cc1 1870233581 WIXCOUJVEKGGMT-XMMPIXPASA-N 446.572 4.911 30 10 IJEE C=CCOc1cn(CCCCCC)c(CN2CCN(c3ccccc3Cl)CC2)cc1=O 1870387869 WYXWODAZPFWUPJ-UHFFFAOYSA-N 444.019 4.969 30 10 IJEE CCCCCCCOc1cn(CC)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870411108 UAVAYRFKIGIELZ-UHFFFAOYSA-N 441.616 4.548 30 10 IJEE CCCCN(CCO)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871397917 XWULTACSQHSTFZ-NDENLUEZSA-N 436.335 4.910 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)C1CC1 1872163788 DNQZWBLWQQHSQH-JOCHJYFZSA-N 436.618 4.733 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1cc(C)ccc1C 1872214903 ZVOYRNSUQNNFPM-LJQANCHMSA-N 428.598 4.805 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872460289 GVGDHBKQQOGSGV-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE Cc1sc([C@H](C#N)C(=O)CN2CCCCCC2)nc1-c1ccc(Br)cc1 1872799288 GJGKWDBLJXDOKK-QGZVFWFLSA-N 432.387 4.933 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1/N=C/c1cccc2[nH]ccc12 1873502108 FWYRWHBDIVJFTO-VULFUBBASA-N 446.580 4.978 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccccn2)c1 1874308324 QPEVZRMKXZQDKR-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE Oc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccc(F)cc2)c1 1874345021 RCGCKXQTGKRFAU-WGOQTCKBSA-N 448.523 4.919 30 10 IJEE COCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(Br)ccc1F 1874499869 FGVNJFRABGHWDO-LSHDLFTRSA-N 449.349 4.809 30 10 IJEE CCCCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(N)=O)c2)cc1 1874597794 FCOSQTICKLYENA-RIYZIHGNSA-N 425.525 4.805 30 10 IJEE CCCNC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC 1874602451 MSRDQYFIUGVBRG-FMIVXFBMSA-N 433.504 4.658 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 1874602572 STLTZMHOSRSLML-PKNBQFBNSA-N 440.496 4.527 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 1875094810 JSUDXJNRUYYGRJ-XYOKQWHBSA-N 447.443 4.656 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)cc1OC 1875099071 RLUBOQZTGSXPKB-VIZOYTHASA-N 431.488 4.885 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C)ccc3Br)ccc21 1890478379 OMHSOVSILMLOJK-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C=O)Cc1c(Br)cccc1Br 1937828608 LWOFEQDXNITLIJ-KRWDZBQOSA-N 447.167 4.723 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cscc3OCc3ccccc3)cc2)OC1(C)C 2038686420 OEJRKJVRVSKRPF-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 2041554278 WHAGJBHOHKAZHV-SEIBCYHCSA-N 446.632 4.526 30 10 IJEE CC(C)(C)OC(=O)Nc1nc(CNc2cc(Br)cc(F)c2C#N)cs1 2045303227 PQUKNYZJKDWKED-UHFFFAOYSA-N 427.299 4.875 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CO1 2052552402 RZGCAFAVRVQPAF-LJQANCHMSA-N 442.796 4.608 30 10 IJEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1c1cc(Br)c(C#N)cc1F 2118192816 SUAJTNGABZWFBU-CHWSQXEVSA-N 426.330 4.589 30 10 IJEE CC(C)[C@H]1[C@H](Nc2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2126371888 MXAXGVKPONDFHA-PBHICJAKSA-N 426.330 4.906 30 10 IJEE CN1C[C@@H]2[C@@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 2152859500 ZCWZMTLOLCLBKU-RRMPHLOHSA-N 434.378 4.815 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(Br)cc2C#N)[C@@H](C(F)(F)F)C1 2163253202 GZVDHFWXGTWRBT-JSGCOSHPSA-N 448.283 4.778 30 10 IJEE CC1(C)C[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)N(C(=O)OC(C)(C)C)C1 2181107591 JVNKXZCIBSQPMQ-OAHLLOKOSA-N 436.350 4.685 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2c(F)ccc(Br)c2F)NC)C1 2183054156 XXZGOAWEWCLWFS-INIZCTEOSA-N 445.348 4.719 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1(C)C 2186211866 JIVMBFRVDLHFAK-CJNGLKHVSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC2(CCC2)N(c2cc(Br)cc(F)c2C#N)C1 2193436435 APRVAUOMAZYCDT-AWEZNQCLSA-N 438.341 4.876 30 10 IJEE CCCCCCCN(C)S(=O)(=O)c1cc(Br)ccc1Br 2196705445 ZKGZIJAEMJAFHJ-UHFFFAOYSA-N 427.202 4.803 30 10 IJEE CC(C)C1(C#N)CCN(C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2210523121 HVLXAFROINTEEE-IBGZPJMESA-N 445.563 4.702 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)F 2235729602 NGSDVSIGHBUPLV-QZTJIDSGSA-N 441.385 4.810 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#Cc1ccccc1Cl 2245961472 JDLGQGBRNCNRSX-BULFRSBZSA-N 428.960 4.517 30 10 IJEE C=CCCC1([C@@H](N)Cc2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266304201 APSSIECNFCHEBH-KRWDZBQOSA-N 427.358 4.661 30 10 IJEE N[C@H](C#Cc1ccccc1Br)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 2268342199 FZEMDIXWWBSFRB-DHIUTWEWSA-N 449.348 4.796 30 10 IJEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@@]3(O)C=CCO)[C@H]3CCC4=CC(=O)CCC4=C23)cc1 2294931046 RCOWGILQXUPXEW-GVMAANQSSA-N 447.619 4.932 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(F)c2)cc1Cl 2296116286 XYQKGAUZRGPQQC-HXUWFJFHSA-N 438.842 4.509 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2296303607 YBZKUBQDULGVGA-YSIASYRMSA-N 435.406 4.862 30 10 IJEE CSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)s1 2296331136 WOILIWUZMYATCG-HNNXBMFYSA-N 443.937 4.540 30 10 IJEE CN1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=Nc1ccc(Cl)cc1 2297313572 HFLXHEGURSFWHQ-UHFFFAOYSA-N 448.729 4.659 30 10 IJEE CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)SC(=Cc2ccc(C)o2)C1=O 2297461091 VENHKXANGCOQRA-UHFFFAOYSA-N 439.533 4.747 30 10 IJEE CC(C)(C)OC(=O)NCCCCCCCC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319724890 XOEJECQVNNXQRM-GOSISDBHSA-N 438.418 4.546 30 10 IJEE CCCOc1c(C=Nn2c(S)nnc2COc2ccc(Cl)c(C)c2)cccc1OC 2322211714 KVYAJUQNLYMUSC-UHFFFAOYSA-N 446.960 4.787 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(C)cc1C 2322569008 USWAGAFUHHMEFP-UHFFFAOYSA-N 430.342 4.867 30 10 IJEE CCCNC(=O)COc1c(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cccc1OC 2322806053 VOHGJNXLQPAJCN-UHFFFAOYSA-N 439.552 4.937 30 10 IJEE CCN(CC)C(=O)COc1ccccc1C=CC(=O)c1cc(Cl)c(OC)cc1OC 2322880980 WYHSPPGPVNOBFO-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccco2)cc1Cl 2322974846 SGHUZPHZBBGOMC-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Cl)c2)cc1OC 2323441381 HYNAWJUBPHVLLC-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE Cc1cc(OC(=O)c2cc3ccccc3oc2=O)cc2c1C(=O)C(=Cc1cccs1)O2 2323562578 PKNGWOOKOLKGFO-UHFFFAOYSA-N 430.437 4.998 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 2324762508 REXMXYSQPHLZEE-GOSISDBHSA-N 435.461 4.625 30 10 IJEE O=C(O)c1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 2325448572 BQIXEJUPZNFDKS-UHFFFAOYSA-N 442.544 4.936 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2325740268 BUCOWHQEWRPFFU-UHFFFAOYSA-N 428.488 4.695 30 10 IJEE CCCOc1c(OC)cc(C=Nn2cnnc2SCc2ccc(C)cc2C)cc1OC 2326426953 QNCWZEAFRJKJDB-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cc(Cl)ccc1O 2326691237 KJBXNNXGLVYFSV-UHFFFAOYSA-N 446.960 4.999 30 10 IJEE CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(=O)OC)cc1 2327734984 MGUYUHFNBIJKDX-UHFFFAOYSA-N 430.533 4.803 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c(O)c1 2329846271 VGCCSZSLNIBASP-UHFFFAOYSA-N 448.523 4.636 30 10 IJEE COCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Br 2330684783 DFYSMFKQUODDAG-UHFFFAOYSA-N 429.310 4.776 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3C)nnc2C(F)(F)F)c1 2331114444 WEWVUOXASDHEDJ-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE C=CCSc1nnc(CCOC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331293931 UFJVPKQGLJYMQJ-UHFFFAOYSA-N 442.972 4.860 30 10 IJEE C[C@@H]1C[C@@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339578081 BORRVTUMTGLPRW-FEFOKTNTSA-N 444.381 4.751 30 10 IJEE CCCCN(CCCC)C1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21 2470896 JSBJOAJMIVOQGN-UHFFFAOYSA-N 426.582 4.774 30 10 IJEE COc1cccc(CN/C(=N\C(=S)Nc2ccc(C)cc2C)Nc2nc(C)cc(C)n2)c1 14156073 BSRBAWGPXNXUPH-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE Cc1cccc(N/C(=N\C(=O)c2cccc(C)c2)N2CCN(Cc3cccc(F)c3)CC2)c1 15729058 VDDAWJJZGSMMTC-UHFFFAOYSA-N 444.554 4.869 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2 20686440 MTMNOVHODMEYGC-PLXFJCCSSA-N 449.620 4.942 30 10 IJEE O=C1CCCC2=C1[C@@H](c1ccco1)N(S(=O)(=O)c1ccc(F)cc1)c1ccccc1N2 21356314 QVAJRSGFFPBBCM-HSZRJFAPSA-N 438.480 4.788 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nncs2)cc1 35490078 YUMWLOKOQFRVKX-FQEVSTJZSA-N 445.500 4.576 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C/c2cccs2)C4=O)cc1OC 37858057 UKSDGEDMFMBKQD-SSDVNMTOSA-N 435.501 4.734 30 10 IJEE C=CCc1ccc(OCCCCn2c(CNC(=O)C(=C)C)nc3ccccc32)c(OC)c1 40194279 WFZCQWKMDPHUJJ-UHFFFAOYSA-N 433.552 4.825 30 10 IJEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CC(=O)N([C@@H](C)CC)[C@@H](C)CC 40219881 ZJXWNVXDZZYZGS-SFTDATJTSA-N 440.632 4.867 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 41292827 BIEIPBXWOVMVFW-AFPJDJCSSA-N 434.419 4.987 30 10 IJEE Cc1ccc(C/N=C(\Nc2cccc(C(=O)O)c2)N2CCN(c3ccccc3F)CC2)cc1 46021755 QFPSWHLURCWFQI-UHFFFAOYSA-N 446.526 4.623 30 10 IJEE O=C(/N=C(/NCc1cccnc1)Nc1cccc(Br)c1)c1ccc(F)c(F)c1 46128509 OFEHBAMFKMTOPH-UHFFFAOYSA-N 445.267 4.520 30 10 IJEE CC/C(=N/Nc1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1)c1ccccc1 59020380 JSZCJVGINRVRDM-XHPQRKPJSA-N 430.537 4.915 30 10 IJEE Cc1c(C(=O)/C=C\c2cc(Cl)c3c(c2)OCO3)cnn1-c1ccc(C(F)(F)F)cn1 96991415 RBYIYGTWYGWBCU-RQOWECAXSA-N 435.789 4.873 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 100253276 IYVDEJUXUXGGCT-HZHRSRAPSA-N 438.509 4.521 30 10 IJEE CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C/c2ccccc2Cl)C1=O 101647716 KUUBPOCEZVGGSA-LFIBNONCSA-N 430.869 4.792 30 10 IJEE CCCOc1c(OC)cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1OC 169935044 MJCAAKQRLWNBQN-OAQYLSRUSA-N 440.565 4.511 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1cccs1 169982247 XHMWSDIHHWCWRR-QFIPXVFZSA-N 448.544 4.914 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccnc2)c1 170000393 QKLAPGNSALCPLS-HSZRJFAPSA-N 439.471 4.745 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccn2)c1 170170326 IJIWSCGQYRCVIT-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccn1 170181929 MBZXIVFESVTSEQ-JOCHJYFZSA-N 434.536 4.909 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccncc1 170204860 KNJGJCRHHKXHST-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccncc2)c1 170206544 KZDLYAIWTHRHQH-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@@H]1c1ccncc1 170210888 ZTIJDNJTBDXVNM-SFHVURJKSA-N 441.281 4.579 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)c(OCC)c1 170230408 DFNQKJAZMBJNLD-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2CCOC(C)C)cc1 170265190 FUFILPVSCXJBBA-HSZRJFAPSA-N 437.536 4.569 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1cccc(F)c1 170270737 NRWXHZYYCTYHBQ-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccco2)cc1 170283433 MLVOBBKEZJHTKV-HSZRJFAPSA-N 429.472 4.950 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)o1 170306649 POFKDVJGXXLYKD-UGSOOPFHSA-N 436.291 4.652 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2CCC)c1 170324414 PSXTZQVOBHHIGQ-NRFANRHFSA-N 441.911 4.902 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)cc2)cc1Cl 170339339 UGHISOYFQARFSX-IBGZPJMESA-N 441.892 4.899 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170362838 UTNLLPGTKMNXRN-JOCHJYFZSA-N 428.444 4.723 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170367950 VKBKILVDMHTZQH-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)o1 170401561 SWYCMQGUHNQRMJ-QGZVFWFLSA-N 433.338 4.863 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1)c1cccs1 170412970 QAXZRLGCVBXQFI-JOCHJYFZSA-N 444.512 4.756 30 10 IJEE Cc1cc(OCC(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc(C)c1Cl 170536752 TUQOPCPGDBJJGZ-UHFFFAOYSA-N 431.883 4.580 30 10 IJEE COCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)SC1=Nc1ccccc1 252642732 ZOZZDQVSQYJXSK-RAYXNOPOSA-N 447.354 4.708 30 10 IJEE CCC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1OC 254739530 LBEBIAIBSJHNIA-JXFKEZNVSA-N 425.554 4.844 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 303903750 SYIBWNKBLFOSFB-UHFFFAOYSA-N 430.386 4.628 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)c2ccc(I)cc2)C1 309985073 XCJPLJRACCMKPZ-GDBMZVCRSA-N 426.298 4.545 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)CC1 443319655 MGCFGRPFVTWTFP-UHFFFAOYSA-N 447.322 4.565 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 490745774 NAELXOYIQDFTNM-UHFFFAOYSA-N 425.508 4.589 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 508480406 GMUBEDAOFWOUMZ-IBGZPJMESA-N 432.446 4.938 30 10 IJEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526662418 CUDUTQPQYRNDFN-UHFFFAOYSA-N 436.496 4.728 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1c(C)n(C)c2ccccc12 526828046 UORLBGZXYQDBEL-QFEZKATASA-N 447.564 4.602 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 549644487 RHYGDIBYSSVRSH-INIZCTEOSA-N 432.450 4.615 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 555264725 VWNZWESBLDDMKZ-ZEQKJWHPSA-N 428.536 4.556 30 10 IJEE N#Cc1ccc(-c2csc(NC(=O)COc3ccc(F)cc3Br)n2)cc1 602742957 RIGNTVJMTFMSQD-UHFFFAOYSA-N 432.274 4.601 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 608850248 FSJARCHRFOGPHF-UHFFFAOYSA-N 425.448 4.645 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 698968537 UAQBCYGLTXRBGJ-NRFANRHFSA-N 436.557 4.853 30 10 IJEE COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728667869 DPBLAHAVYBKPBJ-ROUUACIJSA-N 444.487 4.782 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nnc(-c2cc(Cl)ccc2Cl)n1N 735230310 JMFGGXUDDRYMNU-UHFFFAOYSA-N 440.743 4.814 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 744839917 LNTXXRLOVNNXDM-YJYMSZOUSA-N 435.307 4.839 30 10 IJEE Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c(Cl)c1 744841553 YTNRRBGFFBVULU-IIBYNOLFSA-N 428.916 4.802 30 10 IJEE C[C@H](CSc1ccc(F)cc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 756711952 BRQSOPCTRHRMEF-CHWSQXEVSA-N 432.542 4.546 30 10 IJEE CC(C)(C)c1cc[n+](/C(C(=S)NCCc2ccccn2)=C(/O)c2ccc(C#N)cc2)cc1 762441738 VNGORABOEIOACX-UHFFFAOYSA-O 443.596 4.582 30 10 IJEE COc1ccc(CN[C@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)cc1C#N 773082248 GPTWLNJGGXGCFZ-OAHLLOKOSA-N 437.565 4.791 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 777301931 HAFHNGACCMUPPJ-JOCHJYFZSA-N 428.536 4.884 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 794894855 LLZHSAHRJYIZIB-QFIPXVFZSA-N 443.503 4.532 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1cc(C)cc(C)c1 799216205 AAKOFOPLNBTTAI-LJQANCHMSA-N 445.972 4.946 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)N(C)C(=O)OC(C)(C)C)c1 829354129 LGZLYBPYQXJHMZ-SFHVURJKSA-N 433.549 4.974 30 10 IJEE COc1ccccc1N=C1S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1C 1083899977 GYBKZXFNXADZJW-INIZCTEOSA-N 438.336 4.592 30 10 IJEE COc1cccc(CSc2n[nH]c(NN=C(C)c3ccc(Br)cc3)n2)c1 1084649709 QNACWPVOQKVKQZ-UHFFFAOYSA-N 432.347 4.704 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ncccc1CC)c1ccc2c(c1)OCCO2 1124426152 VGKHROATQIHLQI-UHFFFAOYSA-N 430.504 4.827 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 1127177037 WXPXJDLNCXOPJG-YCABEKBOSA-N 437.471 4.648 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)c2cccc(Sc3cccc(Br)c3)n2)c1 1133782024 BEMZKXJZSWPLHK-UHFFFAOYSA-N 442.313 4.936 30 10 IJEE C=CCn1c(SCCN2C[C@@H](C)O[C@H](C)C2)nc2scc(-c3cccs3)c2c1=O 1164510751 WHTOYPBUASSOTI-HUUCEWRRSA-N 447.651 4.574 30 10 IJEE CC(=O)[C@@](C#N)(CCSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccccc1 1165788979 HJVKTCKXGHVOEU-DEOSSOPVSA-N 443.532 4.514 30 10 IJEE N#Cc1ccccc1OC[C@H](O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 1169341959 HRDBUPOZMHEBTJ-IAGOWNOFSA-N 432.364 4.600 30 10 IJEE C=C(C)CN(C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(OCC)cc1)CC[C@H](C)C2 1174741924 GUKMCKIRIHITND-KRWDZBQOSA-N 440.609 4.949 30 10 IJEE O=S(=O)(NCc1ccccc1SC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 1195812430 CNKQZOLKHCSMCB-UHFFFAOYSA-N 433.370 4.935 30 10 IJEE CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1(CC)CC 1202433786 AZXVBRBRKCNHMS-MOPGFXCFSA-N 429.952 4.845 30 10 IJEE N#Cc1cc(NC(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)ccc1Oc1ccccc1 1203838691 CXVZDWKCFBYART-QFIPXVFZSA-N 432.524 4.653 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 1205898467 CJYHHIDTPOTHER-HXUWFJFHSA-N 441.535 4.731 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(Cl)c1 1209888294 NJTKIHXZRHDOMP-LJQANCHMSA-N 449.860 4.825 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1ccc(I)cc1Cl 1235438646 IPXWMGJKMGJWJB-UHFFFAOYSA-N 440.712 4.842 30 10 IJEE C=CC[C@@H]1N(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)CCCC1(C)C 1251282611 JOHSUJIGXOCFCE-QHAWAJNXSA-N 427.589 4.953 30 10 IJEE C=CCCCCCCCCNC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O 1251608406 AZUQMTCIRCRMHG-IBGZPJMESA-N 436.394 4.918 30 10 IJEE C=CCC[C@H](C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1267702587 WZBIFUFPRCENOO-UXHICEINSA-N 430.470 4.673 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(C#N)c2)[C@@H](c2ccccc2Cl)C1 1270241625 AMHLCYVLUUXCNM-HXUWFJFHSA-N 443.906 4.785 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286334825 ZBTGHSQKVPCEEQ-GOTSBHOMSA-N 433.600 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(C)C)CC1 1286553845 VUWDELXHTRZJDS-IRLDBZIGSA-N 444.023 4.500 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286591240 IGQIRTLHSVFSNI-HSZRJFAPSA-N 447.583 4.999 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)CN(C)C)CC1 1286651704 IXAMPNNWPKFWNF-SFHVURJKSA-N 429.584 4.547 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC=C(COC)CC1)c1ccccc1 1286678852 FXFSEZQSHQTASF-HSZRJFAPSA-N 429.568 4.791 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1286713960 JBWKPWCKQGPRFD-WOJBJXKFSA-N 426.605 4.840 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@](C)(O)CCC 1286718808 SUUAXSBGKTWSKR-GOSISDBHSA-N 427.774 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C)COC1 1286748439 VBVTXAQPKXIQKQ-UHFFFAOYSA-N 444.988 4.898 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(Cl)c1 1286748787 BJPZEEDLLYDXPN-QGZVFWFLSA-N 444.988 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H](CC)N1CCCC1 1286753434 CJRGCDHBNJJQKA-FQEVSTJZSA-N 444.421 4.760 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)c(F)c1 1286759441 CCUQRXVAJZYRLD-WIYYLYMNSA-N 428.552 4.571 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCc2scnc2C)C1 1286801130 WLUJXLVLSNPBLT-SFTDATJTSA-N 437.613 4.609 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(C)C)C1 1286823584 OOQSELKSEUGDPC-FQEVSTJZSA-N 441.645 4.939 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)C1 1287233944 AQDSURICSSGVBW-HSZRJFAPSA-N 434.632 4.954 30 10 IJEE C=CCc1cc(CNC(=O)Cc2sc(SC(F)(F)F)nc2C)cc(OC)c1OC 1292314049 VUMWWKYKTUWHCU-UHFFFAOYSA-N 446.516 4.668 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)c1ncc(C)s1 1292580294 FNXUZCXDOUSZDP-IAGOWNOFSA-N 438.601 4.584 30 10 IJEE C#CCN(C(=O)CCCCc1cccc(O)c1)[C@@H]1CCOc2ccc(Br)cc21 1293513783 QGXOALFPTNGLLY-OAQYLSRUSA-N 442.353 4.853 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(OCC)cc2)CC1 1295175993 DEBYHFCSYOSYBR-FQEVSTJZSA-N 434.964 4.737 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1300398976 DPMBFAXQNXRHJY-SFHVURJKSA-N 440.016 4.957 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(CSC)c1 1300643443 JEDOUVAOHSPTIP-NHCUHLMSSA-N 426.630 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1csc(C(C)C)n1 1300789633 RWXDPEQFXKSQMS-XMMPIXPASA-N 430.581 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCOCC1CC1 1300798181 KUBKNHMFAZUURE-JOCHJYFZSA-N 443.389 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cccnc1 1300816037 HAGYLSDGALKLOM-HHHXNRCGSA-N 443.595 4.784 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1Cc1c(C)noc1C 1300817307 HGQWIVWIQQUQTB-JOCHJYFZSA-N 441.988 4.869 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@@H](C)C1CCC1 1300850703 BDWGOMRFSZEYTJ-INIZCTEOSA-N 433.394 4.801 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1300876334 SDPKAUYKBZFHDG-CWWQEWECSA-N 444.645 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCc1c(C)noc1C 1300907843 SPVRMVYNMVXLEH-UHFFFAOYSA-N 444.377 4.958 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1300980141 DKXIZZVBRVJRPH-OAQYLSRUSA-N 437.975 4.889 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCC(C)C)CC1 1301112344 ROHCDWUYNGWCNO-UHFFFAOYSA-N 436.398 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)CC1 1301144090 VBTKZNGPESVGCV-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCC[C@H]1C 1301373532 XTCLCLAHJNMBLL-IEGUWTFLSA-N 430.980 4.801 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1301600830 JQWFUGQZYLNGRJ-QGZVFWFLSA-N 442.589 4.656 30 10 IJEE C[C@@H]1COCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1304980253 FFGXQCXYWBBHOU-BRSBDYLESA-N 427.618 4.542 30 10 IJEE C[C@@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F 1309158505 BLTIKHPWLFXVBB-JTQLQIEISA-N 429.357 4.773 30 10 IJEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1)[C@H]1CCCc2ccccc21 1312252604 KCZOQXMEXLOQIA-ZCYQVOJMSA-N 432.564 4.775 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1cccnc1C)c1ccc2c(c1)OCCO2 1348529724 DCOAQXSQKGHNBY-JLHYYAGUSA-N 442.515 4.973 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3cccc(C(=O)N4CCCCC4)c3)c2)s1 1354026285 BUHJDSTVXYLRSK-UHFFFAOYSA-N 429.545 4.843 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCN(Cc3ccccc3)C2)cc1 1355151567 HFHMOSYLJVMCHM-VWLOTQADSA-N 427.523 4.748 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1358877022 VVUSJOYZZIAZQI-JONQDZQNSA-N 449.368 4.508 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)=C(Br)C1 1358920125 SOZFBARRRBWPDF-INIZCTEOSA-N 447.352 4.850 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)CC1CCC1 1358922585 KCBXZWPYYWBSLW-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)c1nccs1 1359004574 BQPCIDXCMAVLPY-ZDUSSCGKSA-N 448.365 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1359066584 HDANTFRLVFSVGN-ZYLNGJIFSA-N 440.035 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2nsnc2c1 1359116653 SWQCVYKKAGHQIP-YLJYHZDGSA-N 440.617 4.652 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(CC2CC2)CC1 1359146580 CJHQSUHZCZUJEP-UHFFFAOYSA-N 444.023 4.655 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1359160701 ALTJBCLGPBPEAQ-HXUWFJFHSA-N 445.995 4.916 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1359174309 ZSVAUBKRDSRGOU-ICSRJNTNSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359187055 APMCGHIGSXZQRN-UHFFFAOYSA-N 447.583 4.831 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 1359200042 QNRHJMUODBFAHZ-NRFANRHFSA-N 437.371 4.604 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1359213737 FIUZWNZICVTGBJ-RBUKOAKNSA-N 434.588 4.827 30 10 IJEE C=CCCCn1c(CC)nnc1N1C[C@@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1359216889 HEEMZVUFNDOVCS-FPTDNZKUSA-N 447.942 4.903 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(OC)ccc1OC 1359234212 HWQMMBGVABRPCX-MRXNPFEDSA-N 438.597 4.819 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1nc2c(s1)C[C@@H](C)CC2 1359254831 FFCOSYWMUKRQHJ-KRWDZBQOSA-N 437.613 4.671 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCc1ccncc1 1359260374 BYOVTFNYNZRQBC-UHFFFAOYSA-N 428.515 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC[C@@H](C)C1 1359270292 JVSYWGUWXMUOTJ-UXHICEINSA-N 446.599 4.680 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCCc1nc2c(s1)CCCC2 1359271085 KQKMRRWNGMVINI-IBGZPJMESA-N 427.618 4.666 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1-n1ccnc1 1359274587 SQOOCMDIJIFKTJ-FYYLOGMGSA-N 446.599 4.609 30 10 IJEE C=C[C@H](CC(=O)N[C@H](C(=O)OCC)c1ccc(OC)c(Br)c1)c1ccccc1 1435686384 GNWJTHPSNKYTEO-VFNWGFHPSA-N 446.341 4.538 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 1436985533 APXMUNLOLXLQRI-HNNXBMFYSA-N 443.400 4.550 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 1438002442 URMQKDCQKLBIPR-UHFFFAOYSA-N 429.358 4.962 30 10 IJEE C=C[C@H](C(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1)c1ccccc1 1442477341 ZWECGSIONILOJE-SANMLTNESA-N 440.543 4.520 30 10 IJEE C=CC1(CC(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 1451432531 RGRRNFLJBOTXPP-UHFFFAOYSA-N 446.591 4.823 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2cccc(-c3nc4ccccc4n3C)c2)c(OC)c1 1455960201 RKSBLJIIEYAHTB-UHFFFAOYSA-N 428.488 4.962 30 10 IJEE CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 1459413046 GNUBCHZKOTZCMD-ZGOJQLDESA-N 438.385 4.729 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2cc(Br)cc(C)c2C1 1459839769 WVGJMUYGUKTDRM-INIZCTEOSA-N 433.415 4.780 30 10 IJEE C#C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Br)cc1 1460784070 IFOJZMXQVDAOHD-GOSISDBHSA-N 427.273 4.667 30 10 IJEE C#C[C@H](NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CCOCC1 1461711354 LJPHTGAYYSOLEN-BARSGRSVSA-N 446.572 4.780 30 10 IJEE C#C[C@@H](NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1)C1CCOCC1 1461711364 LJPHTGAYYSOLEN-MNJKBJKMSA-N 446.572 4.780 30 10 IJEE Cc1cc([C@H](NS(=O)(=O)c2ccc(CC#N)cc2)c2ccccc2Cl)ccc1F 1463203351 GYKMBCJKNUFCQO-QFIPXVFZSA-N 428.916 4.922 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 1464921940 ASLPLMDVSSDNTG-LSDHHAIUSA-N 432.735 4.710 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N[C@H](CO)c3cccc(Cl)c3Cl)s2)cc1 1465165778 CZBUUGYOXJAVGX-QGZVFWFLSA-N 447.347 4.767 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2Cc3ccccc3C[C@H]2C)n(Cc2ccc(F)cc2)c1C 1473200150 ARIXXAXDVNNVII-QGZVFWFLSA-N 430.527 4.549 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NCc1cc(I)c(OC)c(OC)c1 1474178492 ZPGOAUYFZYSYAX-KRWDZBQOSA-N 437.321 4.585 30 10 IJEE CC[C@H](CN(C)S(=O)(=O)c1c(F)cc(C#N)cc1F)Oc1ccc(Cl)c(Cl)c1 1475202637 GGAOBMCFGRCHAM-GFCCVEGCSA-N 449.306 4.621 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)CC1 1477804064 XNEPITLOHGKFGJ-UIOOFZCWSA-N 433.596 4.976 30 10 IJEE C=CCC1(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCCC1 1478629181 ZXTQQFRLQWYUFX-UHFFFAOYSA-N 440.466 4.582 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1478806658 LXJXHXHCPXWIMS-IWTFSIHTSA-N 427.589 4.650 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1503567658 BBWYUUCCIHUAAW-QGZVFWFLSA-N 448.518 4.570 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CCC[C@H]21 1507590882 HRGONGKDSMTBHQ-PZJWPPBQSA-N 441.620 4.575 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@H](C)C1 1507780988 KZKNKUICAVIIOU-OAHLLOKOSA-N 449.393 4.887 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C)Cc2ccccc2C1 1507811637 CNDHUBKKNHJHIO-AREMUKBSSA-N 438.616 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1507818060 KOOCJPCRRFYZPX-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1507909436 FOAKXSZJJSMABE-MHECFPHRSA-N 442.629 4.533 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1507973247 WVSNDYVOMLYTJB-ROUUACIJSA-N 433.547 4.537 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](c1cccnc1)C(C)C 1508020051 NKQQDOCPJYZTAJ-ZJSXRUAMSA-N 445.567 4.804 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCC[C@H](C)C1 1508158642 MRPPHXGZQYVHBL-ROUUACIJSA-N 430.618 4.896 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@](C)(OC)CC1 1508165740 XBZRJSWVADPBNC-DEOSSOPVSA-N 439.629 4.596 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCc1ccccc1 1508707842 BPALKELODDDMEG-DHIUTWEWSA-N 435.616 4.960 30 10 IJEE C=CCOc1ccc(CN(C(=O)Cn2cc(C(=O)OC)c3ccccc32)C(C)(C)C)cc1 1517424739 FNVQNNHENIUKBQ-UHFFFAOYSA-N 434.536 4.820 30 10 IJEE COc1ccc(CCn2c(C(C)C)nnc2N2CCC[C@](C)(C#N)C2)cc1Br 1518221111 DHLISLYDONWHHK-OAQYLSRUSA-N 446.393 4.545 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(C)cc(I)c2)cc1OC 1520809155 FIPOGAUQVVNUNL-VURMDHGXSA-N 449.288 4.825 30 10 IJEE Cc1cc(C(=O)Nc2ccc(Cl)cc2C#N)cc(S(=O)(=O)N2CCC(C)CC2)c1C 1532387157 IDJJXFCIIGKQFG-UHFFFAOYSA-N 445.972 4.501 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)cc1 1534575841 QLESKEDQEDJSJF-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)CCCN1C(=O)OC(C)(C)C 1534670955 BPEUWEFWHIZCHS-BXKMTCNYSA-N 432.561 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C1CC1 1539620496 LROKJYYHXBBPSS-LPHOPBHVSA-N 431.378 4.678 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1539628491 QDCHYFIYSKOLAY-VQIMIIECSA-N 438.469 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539659551 BIMLOGIWHLSJKT-GOSISDBHSA-N 427.593 4.817 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539694752 LXBQUMFPDIUKQA-SJORKVTESA-N 445.995 4.914 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CC(F)(F)Br)CC1 1539881865 MYHKJGBUQDDHAZ-UHFFFAOYSA-N 431.712 4.989 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1539913118 ZHHWEOURBPQJTK-UHFFFAOYSA-N 434.544 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1539924550 SZTAPBKQUUBZRP-IBGZPJMESA-N 438.597 4.809 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1539999517 KYGIOSIYBYHZMV-QHCPKHFHSA-N 430.600 4.716 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(F)(F)C1)C(C)C 1540148102 REXLQXDYCCQLMD-HXUWFJFHSA-N 433.522 4.628 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N1CCCC1 1540158829 RNLLQEQCPABHMV-JOCHJYFZSA-N 444.608 4.894 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(N(C)C)c1 1541106973 DHLUJJZQWVGLEF-MSOLQXFVSA-N 448.640 4.842 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 1542190801 YWJWKQOLEDAEJG-CTNGQTDRSA-N 440.588 4.877 30 10 IJEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H](C)c1ccccc1 1545458499 IBYASIMYKMBIJC-QZTJIDSGSA-N 430.556 4.520 30 10 IJEE N#Cc1cccc(C2(C(=O)N3CCC(COc4ccccc4C(F)(F)F)CC3)CC2)c1 1556259651 HYJAGYPYRWPRSM-UHFFFAOYSA-N 428.454 4.926 30 10 IJEE C=CCn1c(Sc2cc(C(F)(F)F)c(C(=O)OC)cn2)nnc1-c1ccccc1F 1559059455 NVYXDBIKXNYLHV-UHFFFAOYSA-N 438.406 4.622 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 1586031985 UVEIHZISTXJQGS-QJWGWKRISA-N 444.553 4.501 30 10 IJEE N#CC[C@H](CC(=O)Nc1nc(-c2ccc(Br)cn2)cs1)c1ccccc1 1587105759 HXHZDWUGHUGCEC-CQSZACIVSA-N 427.327 4.994 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(Cl)nc1 1587562747 SJLXDJFUVYMICL-HUUCEWRRSA-N 430.339 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccc(C)s1 1588293058 LPIQDSGYXWGPCS-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H](C)Oc1ccc(Cl)cc1 1589669406 TVTUBESGSGLLBM-SFHVURJKSA-N 425.964 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1ccn(C)n1 1589687744 MVEHDEDHAUMGDT-UHFFFAOYSA-N 436.604 4.533 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1593711848 JXWGUIUBOGSLKP-REWPJTCUSA-N 437.632 4.508 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1594478524 TWDNWFDCFHQKCV-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(F)(F)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1594552790 SMEMLLABKNGKED-OFNKIYASSA-N 446.542 4.524 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]1c1nncn1C 1594680452 SEWCVHTXQNBYBN-APWZRJJASA-N 441.967 4.508 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C)C1CC1 1595058386 KOBITDZQDYXVFZ-IBGZPJMESA-N 443.636 4.811 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCc2cccnc21 1595191677 VJYIAOMGCLDEBW-OAQYLSRUSA-N 445.567 4.656 30 10 IJEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1595297873 ZIMBSKBUKISTDI-OKZBNKHCSA-N 430.515 4.527 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(Br)cs1 1596182581 ZGBOYUUQORKATF-CYBMUJFWSA-N 437.787 4.505 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc21 1615748969 MIYKRXQPRZQIJP-SANMLTNESA-N 440.547 4.698 30 10 IJEE C#CCCOc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 1616941052 RVOUGRZTZBGRBD-UHFFFAOYSA-N 431.363 4.790 30 10 IJEE N#Cc1cc(S(=O)(=O)NCc2ccc(OCc3ccccc3)cc2)ccc1C(F)(F)F 1622407566 DFFMQXGXGNRJSO-UHFFFAOYSA-N 446.450 4.635 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1623128536 RCTXVRMAILJJIV-UHFFFAOYSA-N 441.597 4.860 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 1628276977 OSEBHZFWHXWNHN-UHFFFAOYSA-N 437.428 4.747 30 10 IJEE C=C(CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccccc1 1629239875 BDNQPVNLOVFJNY-UHFFFAOYSA-N 432.954 4.646 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1 1630649897 KOIOEVURAKYYDH-ROUUACIJSA-N 447.000 4.839 30 10 IJEE C#C[C@H]1CCCCN1C(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 1637048169 WXDFJKHZZMARNH-FQEVSTJZSA-N 430.548 4.710 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 1638616126 DQYGFMYJNBMUPC-APPDUMDISA-N 431.241 4.986 30 10 IJEE C#CCN(C(=O)N[C@H]1CCSC2(CCC2)C1)[C@H]1CCOc2ccc(Br)cc21 1638809523 LNGKTAVUEOXHDU-WMZOPIPTSA-N 449.414 4.736 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O 1645353211 CFSJYZFPPBZBDF-SBUREZEXSA-N 432.520 4.751 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 1648409722 SCHLQPFNGKBEMZ-INIZCTEOSA-N 432.492 4.809 30 10 IJEE CCC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1649638075 FFSJMEZVNOHVAG-QFIPXVFZSA-N 439.604 4.601 30 10 IJEE C=CCn1c(S[C@@H](C)c2nc(C)cc(O)n2)nc2scc(-c3ccccc3)c2c1=O 1652458613 LMENIHPAHNFNDK-AWEZNQCLSA-N 436.562 4.968 30 10 IJEE C#C[C@H]1CCCCN1CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 1656426689 RUYLGAWZXFZOKE-QFIPXVFZSA-N 433.552 4.970 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cccc(OCCNC(=O)OC(C)(C)C)c1 1656796592 HRFOOXIIFJYDOD-UHFFFAOYSA-N 430.932 4.868 30 10 IJEE C=CCOc1ccc(CNCCCNC(=O)c2ccc(Br)cc2)cc1Cl 1661256866 ZVEJHJHFFBTMQY-UHFFFAOYSA-N 437.765 4.577 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 1661527127 YRMQJMZFVSDZBC-HSZRJFAPSA-N 448.629 4.576 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)c1 1667444083 YRIUHUAXIWHMQJ-FQEVSTJZSA-N 434.989 4.712 30 10 IJEE N#Cc1cc(NC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)ccc1OC(F)(F)F 1670745450 HUKIYRPEESUSHB-IBGZPJMESA-N 439.821 4.634 30 10 IJEE C=CCC[C@H](NC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 1670774775 DCUYMLWUOIFSGO-FPOVZHCZSA-N 436.474 4.794 30 10 IJEE C=CC[C@H](CC)NC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1672200985 DRHHFSMXPRJSRH-ICSRJNTNSA-N 443.588 4.934 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC 1675759858 DDZMYUDICRNBPY-HXUWFJFHSA-N 445.604 4.991 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 1677189746 FBRSLOXARMXRDL-SANMLTNESA-N 426.516 4.612 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 1687772927 WUOJFZVYKUXJSP-NHCUHLMSSA-N 439.353 4.995 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC(CC)(CC)OC 1690089611 ICUFGFZFUJPRCB-OAQYLSRUSA-N 428.552 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N(C)C1CC1 1690198311 JUYXKUXBPONOAQ-IVZQSRNASA-N 432.399 4.727 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(C)CCCOCc1ccccc1 1690222028 HHTFSBAYCZFNFW-UHFFFAOYSA-N 445.361 4.798 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1690330450 HHEMAZBPGLXRNO-QGZVFWFLSA-N 435.975 4.620 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(COC)CCCCC2)CC1 1690367152 DDQAECZCPNQPFB-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1690460202 CHSPOWGRHNEOBD-LJQANCHMSA-N 438.601 4.528 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1690533684 ROGUZRVNCFVCMS-FQEVSTJZSA-N 448.615 4.859 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1690744384 ODTVNSSPIQMRNU-UHFFFAOYSA-N 444.620 4.568 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)c1nccs1 1705576572 NCKUJGJHLDNENE-CQSZACIVSA-N 430.364 4.585 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(CCC)CCC2)CC1 1705632738 AMECYYPEHOQWDP-HSZRJFAPSA-N 449.643 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCC 1705697701 XDVKIEMPEOZSOA-KDOFPFPSSA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(C)CN(C)C1=O 1705712142 ZEWRAGWTCSAJEB-JOCHJYFZSA-N 444.004 4.694 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccc(Br)cc1 1705792082 LVYQYGVWQDDOCX-GOSISDBHSA-N 447.421 4.826 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCc1ccsc1 1705860102 BYTRNCOZPGNVKD-UHFFFAOYSA-N 440.576 4.632 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC[C@@H](OC)C(F)(F)F 1705862101 YSPQLCYOOQLKHA-RTBURBONSA-N 438.494 4.680 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CC1CCN(Cc2cccs2)CC1 1705863886 JVMXDAYCHKOGCE-UHFFFAOYSA-N 427.643 4.814 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CC(F)(F)C1 1706070110 GYKQLLLWRBJCFP-MRXNPFEDSA-N 441.482 4.758 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1csc(CC)n1 1722356267 UQXRPRYZOKMWSL-UHFFFAOYSA-N 437.613 4.620 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C1CCCCC1)N(C)C 1722391807 VBISQNTYGVTTCN-FTJBHMTQSA-N 445.655 4.793 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1722404077 PEOFHACADKDGFO-NZQKXSOJSA-N 431.584 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)c1ccccc1F 1722513039 QAAADXPEXDZFQT-UHFFFAOYSA-N 439.535 4.525 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1722521080 DBPHEXWJTUAUJJ-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722533493 UQWJYUIMDUBQMT-UHFFFAOYSA-N 447.023 4.601 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCc2ccc(Br)cc2C1 1722543886 AIQSEQPDJDPSMQ-UHFFFAOYSA-N 433.737 4.924 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722599256 BCIYXORYHAVYLR-GOSISDBHSA-N 429.996 4.648 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1Cc1cscc1C 1722653714 CLEMXLLNTAGVSQ-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1ncc(C)s1 1722675933 VFTOOUIOUCXWNE-GHTZIAJQSA-N 437.613 4.933 30 10 IJEE CC(C)OCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H](C)CC#N 1723724134 FDOAIHVIBKTENN-CYBMUJFWSA-N 440.773 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(OC)CCCCC1 1740541747 GYDXOEKQMFYAOQ-LJQANCHMSA-N 440.588 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCSCC(F)(F)F 1740729251 CYSITHXCXZAFBW-OAQYLSRUSA-N 445.514 4.781 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1740733171 FEBUGMSEEIAUCF-UQBPGWFLSA-N 443.636 4.506 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740761261 VLTZJNXGKLTOST-HARLFGEKSA-N 445.007 4.689 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1740848334 ICRNWBFDCXEQME-FCHUYYIVSA-N 426.605 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1740851582 ZVEWCSWPHNNAIK-UHFFFAOYSA-N 443.661 4.848 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccoc1)c1ccccc1 1740854268 MMWSDCDPRILLOH-NRFANRHFSA-N 442.523 4.515 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1740892659 KUTPZVXMHLLLEJ-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCNC(=O)[C@H](C)CCC 1740893067 WJQMYEOJFLVYMK-OAHLLOKOSA-N 446.020 4.988 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1nccc(C(F)F)n1 1740918596 MMJKXNYUJUYHCQ-UHFFFAOYSA-N 436.466 4.815 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CCO[C@H]1C(C)C 1740920746 VLFAUVYTWPSTCO-BWKNWUBXSA-N 449.574 4.657 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nc(C(C)C)cs1 1740930317 QUHJIRDYBYRUPP-UHFFFAOYSA-N 445.596 4.937 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSC(C)C 1740932318 LQPOFPIMRNVDJC-LJQANCHMSA-N 449.665 4.713 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC1CCN(C2CC2)CC1 1740937916 SOEWOEGHKUMZSY-UHFFFAOYSA-N 425.621 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCOC[C@H]1C 1748647597 QNJJKOBRXJGGQS-FUHIMQAGSA-N 435.597 4.508 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)CCC1CC1 1748734308 BDAYSKCDNUARTO-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)Cc1ccco1 1749352346 MMNNNOBILIBLOE-UHFFFAOYSA-N 437.544 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@@H](C)C1 1749359694 NRSWQNJDJWEPDB-KRWDZBQOSA-N 430.618 4.896 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccc(F)cc1)C1CC1 1749527409 CSIXTIPNTXKNGU-ZPMCFJSWSA-N 442.579 4.958 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1749528407 OIMHPDCVLGLVNT-IBVKSMDESA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1CCC1(F)CCC1 1749544211 DDCJIJCVKSZVQX-UHFFFAOYSA-N 440.542 4.754 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CCCN1CCCCCC1=O 1749583187 WGCUFDNGXFXQJS-UHFFFAOYSA-N 437.632 4.603 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1 1749584778 RBTBYNVRBAHAMZ-JOCHJYFZSA-N 432.616 4.561 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC)(CC)C1 1749746157 SVLYHXMEKSFGPT-UHFFFAOYSA-N 438.439 4.971 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1760309000 YKWKXKGVNDLRAJ-UHFFFAOYSA-N 429.353 4.791 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC1CC1 1760350276 BLJTVLXYFRLNPG-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@H]2C)CC1 1760382329 ODYUTOWAICOHHA-MOPGFXCFSA-N 429.996 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760398634 FVOHVVBJUOYQGY-WAIKUNEKSA-N 432.996 4.807 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1760424209 ACSCPHJMJQJUFT-HXUWFJFHSA-N 433.531 4.935 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1760443681 XZKZWJPOHYCDDD-SFHVURJKSA-N 430.618 4.578 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1ccc(OC)cc1 1760457402 QQDBDJMJMLSZAK-UHFFFAOYSA-N 438.597 4.985 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760561190 STOMZAAUAZEHIB-GOSISDBHSA-N 443.020 4.635 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCOC[C@@H]1C 1761077746 HDWJFICXNKHIQV-JTHBVZDNSA-N 448.615 4.720 30 10 IJEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)C1 1762822743 HPVXFNXMORZSFI-WHLIWEHUSA-N 434.632 4.952 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@@H](F)C2)cc1OC 1766273794 CNMYQYBKGPCQIN-UYAOXDASSA-N 441.551 4.621 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1771431422 DMTNMKHHWRSOME-IEBWSBKVSA-N 431.556 4.974 30 10 IJEE CCN1C(=O)/C(=C2\C(=O)N(C)c3ccccc32)SC1=Nc1nc(-c2ccccc2)cs1 1772739148 SIPGRPSJFVCIAP-FBFHEIHUSA-N 446.557 4.781 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C1CCN(Cc2ccccc2)CC1 1861164139 RORQCVVTIIDVPW-XMMPIXPASA-N 429.649 4.660 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(OC)cc1OC 1861566623 OLZPWMZWXQXHEM-CZTSOZTGSA-N 444.616 4.965 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861668144 FIEDITYSCORJLA-PXNSSMCTSA-N 443.053 4.822 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCCN(C)C 1862442103 GGIRBYZPSRNMBG-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1O 1862480448 HFNUYVCMJPCPIV-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CC2)cc1OCC 1862512886 XGLXQRMTKYACJZ-JOCHJYFZSA-N 439.483 4.672 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C2CCCC2)ccc1O 1862537452 WBFPQPVBNGJUAE-HSZRJFAPSA-N 435.520 4.874 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2F)cc1OC 1862572808 NCFNYKZZNPQVGY-NRFANRHFSA-N 443.446 4.503 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862596154 SNJGNFNQWWYCAQ-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 1862628130 WQRDLKJVYFESQW-JOCHJYFZSA-N 447.874 4.847 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2nc3ccccc3[nH]2)[C@@H]1c1ccccc1)c1ccc(F)cc1 1862674724 ROQDUWFGJGWZTF-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3c(c2)CCCN3C)c1 1862708417 UTZJGZOMBXJTQU-XMMPIXPASA-N 446.547 4.599 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3ccccc3F)C2=O)cc1 1863445790 KQSLMXJCKSRREH-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@@H](C(=O)OCC)C2)nc(-c2ccc(Cl)cc2)n1 1867981620 BNMKRFJDNWYJKZ-LJQANCHMSA-N 440.975 4.755 30 10 IJEE Cc1nc(SCc2cc(=O)c(OCC(C)C)cn2C[C@H]2CCCO2)c(C#N)c(C)c1C 1870262218 DTPHZQPEHIDYTE-HXUWFJFHSA-N 441.597 4.546 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1ccc(C)c(F)c1 1871190275 FKLOQGXMCDCGFZ-UHFFFAOYSA-N 449.526 4.728 30 10 IJEE O=C1/C(=C/c2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 1871345730 BFHXAYUYHHSLAZ-NHDPSOOVSA-N 436.414 4.651 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c3C2=O)c1 1871362999 AEYNSDGTXZLJFB-NVNXTCNLSA-N 427.667 4.895 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871380652 ZTDDECMKEODFLJ-CSNXJAGESA-N 428.440 4.939 30 10 IJEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871408949 GYBAJMKEJBUDFJ-GEWRUKCFSA-N 444.443 4.925 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)cc3)cc(C)c2C1=O 1871456728 STFODNSBDWLMOH-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871967793 ALMHXXRBZBQYMW-OAQYLSRUSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CCC 1872165536 SGIPBXCRTUGFIP-JOCHJYFZSA-N 438.634 4.981 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NS(=O)(=O)c1cc(C)c(C)cc1OC 1872605315 RSAUZLUWXMEOHK-HXUWFJFHSA-N 440.650 4.626 30 10 IJEE CCCCN(CCC)CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)c(C(=O)OCC)s1 1872800263 PMRXQGTUOASVEG-GOSISDBHSA-N 427.570 4.675 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N(CC)CC)cc1)n2CC 1873656065 LBFOTEUXDOHYAK-UHFFFAOYSA-N 432.572 4.728 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874381038 YBODBAHWXNPLTG-LPYMAVHISA-N 431.334 4.931 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(OCCC)cc1 1874457781 HPBUFDBSOJAZRP-HZHRSRAPSA-N 430.574 4.652 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)cc1 1874466047 OKSMIHXCHNULQZ-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874486640 CZBURIIAKCLXCV-UFFVCSGVSA-N 429.373 4.810 30 10 IJEE CCOc1c(Br)cc(/C=N/n2c(CC(C)C)nnc2SCC)cc1OC 1874488406 VQGCEOLFMNOCBI-RGVLZGJSSA-N 441.395 4.641 30 10 IJEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccccc2F)cc1 1874528730 YAODILUGANGDQS-ZVHZXABRSA-N 441.532 4.518 30 10 IJEE Cc1ccc(COc2cccc(/C=N/n3c(S)nnc3CCOc3ccccc3)c2)cc1 1874562522 BIYSKUJSCXFIEJ-YZSQISJMSA-N 444.560 4.958 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2Cl)c1 1874570676 CZFAFXUGCZFLSE-WSDLNYQXSA-N 437.352 4.776 30 10 IJEE CCc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NCc3ccccc3)c2)cc1 1874594194 XPHSGVJBFMRIQF-RVDMUPIBSA-N 429.516 4.849 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)c2ccccc2Br)c1 1874730913 LXBRSKJUFMGVLP-UHFFFAOYSA-N 428.326 4.915 30 10 IJEE COCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1Cl 1875173156 BSSUBEYSZZOPBJ-GQCTYLIASA-N 439.291 4.849 30 10 IJEE C#Cc1cc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OC 1903075427 PFESDOXJOURRCI-KRWDZBQOSA-N 440.499 4.542 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912174991 HFKARIAYVQNASY-GCKMJXCFSA-N 436.557 4.852 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(CNCCC)c(Cl)cc1Cl 1914945883 DRBVAOJYUVTIMO-UHFFFAOYSA-N 427.397 4.870 30 10 IJEE Cc1cc(C#N)c(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)nc1C 1977571768 FGPORYJOGWDWBC-UHFFFAOYSA-N 442.519 4.842 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048495370 AVZJXYWFCCFCIC-DLBZAZTESA-N 430.770 4.621 30 10 IJEE C[C@H]1CN(Cc2ccc(Br)cc2C#N)C[C@H](C)N1C(=O)OCc1ccccc1 2054190215 CLTGHQZWKKOERM-IRXDYDNUSA-N 442.357 4.552 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Cl)c(Br)c2)C1 2062969914 WKCAAYNWNCJQGJ-UHFFFAOYSA-N 429.742 4.902 30 10 IJEE CCc1nn(Cc2ccc(C(F)(F)F)c(Br)c2)c(Br)c1C#N 2080377158 DQGUSHNBGKMJAC-UHFFFAOYSA-N 437.057 4.909 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1F 2102880597 QWUXSCXNJYUEAH-AEFFLSMTSA-N 427.358 4.936 30 10 IJEE CCOc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCC2)cc(Br)c1O 2131262099 SGZMWRJTEKMHKB-HNNXBMFYSA-N 425.323 4.908 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H]1CN(Cc1ccc(Br)cc1C#N)C2 2174629235 FGNWHIHTFKWWHA-DYESRHJHSA-N 434.378 4.590 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC(=O)Nc2cc(Br)ccc2C#N)CC1 2205437286 YCJBUMWQSCFXSQ-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2ccccc2Br)cs1 2227487659 RQPCMKHWQGNENN-LRDDRELGSA-N 437.359 4.576 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2235725809 OIOWJTJELXOXFT-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](N)(C#Cc3ccccc3Br)C[C@@H]21 2235729403 SZMGQPKMGIEBNT-LZNRXBQRSA-N 433.390 4.698 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2235745727 FDDJNXGULQVELG-ILZDJORESA-N 435.406 4.814 30 10 IJEE CCc1ccc(C#C[C@@H](NC)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1 2268739304 OLPUKRBFRAKDAS-RUZDIDTESA-N 448.607 4.642 30 10 IJEE CCN[C@@H](C#CC1CCCC1)c1ccc(Br)cc1I 2273964105 DYBCNOQYBMYXTH-INIZCTEOSA-N 432.143 4.898 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2279430025 NWIKHMBZJQMKJB-MISYRCLQSA-N 435.406 4.670 30 10 IJEE C=CCCC1([C@@H](N)Cc2cc(OC)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2281040913 LPNGVWBPXXTVNX-SFHVURJKSA-N 439.394 4.531 30 10 IJEE N#Cc1cccc(Br)c1N[C@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2285188764 WMRKPZWCFISSKK-KNQAVFIVSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CN(c2c(Br)cccc2C#N)C2CC2)CC1 2285190565 VPOOABRAFVAYIF-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE C[C@](C#C[Si](C)(C)C)(OCCCN)c1cc(Br)c(Br)s1 2294592849 XPHOBCJHGNRNRP-CQSZACIVSA-N 439.289 4.735 30 10 IJEE CC1(C)OB(c2cnc(OCc3cc(Br)ccc3Cl)c(F)c2)OC1(C)C 2295175486 NRZMNMHWNMWQOD-UHFFFAOYSA-N 442.521 4.515 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2296217505 VHDHONWXYRQHBJ-FAGZOMQFSA-N 434.374 4.635 30 10 IJEE CC[C@]1([C@H](C#Cc2cccc(Br)c2)NC)CCCCN1C(=O)OC(C)(C)C 2296220704 AXAIPYWNDAKPDI-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2296274430 UPDIGXKNXSUKII-SJORKVTESA-N 445.348 4.717 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 2296935708 AYLIWWLDKCRROO-HXUWFJFHSA-N 447.362 4.757 30 10 IJEE C[C@@H]1[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317353209 FWWNHJPDPCXARD-AFRBYUIBSA-N 429.370 4.536 30 10 IJEE CCOc1ccccc1C=C1Oc2c3c(cc(C)c2C1=O)OCN(CCCOC(C)C)C3 2322024058 RELPTDVJZWKOKW-UHFFFAOYSA-N 437.536 4.977 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(CCOc2ccccc2)CO3)C1=O 2322038064 NRGRHXFDXXLICM-UHFFFAOYSA-N 443.499 4.932 30 10 IJEE C=CCN1C(=O)c2cccc(OC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c2C1=O 2322130385 GYMDNMQTZDLXLG-UHFFFAOYSA-N 439.467 4.666 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(OC)cc1OC 2323503636 QYERLPIYHXIOTD-QFIPXVFZSA-N 432.605 4.869 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1Cl 2324473758 ZXXRBOOVEUPIRM-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325072565 WGTQLQMJBNUGFR-KRWDZBQOSA-N 449.503 4.624 30 10 IJEE Cc1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1 2325489800 RPJKGXIKIGYBGY-UHFFFAOYSA-N 447.608 4.601 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(OCC)c(OCC)c2)cc1OCC 2325648981 HUGJWAPCBNNPRK-UHFFFAOYSA-N 441.524 4.893 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)COCc1ccccc1 2325675271 HZQYKUXJBKAPPM-UHFFFAOYSA-N 447.443 4.622 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2F)c(OCC)c1 2326269223 IWYXGLFLCCVTCZ-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(C(=O)O)cc1 2327385575 MTXUCUASWKIAAG-UHFFFAOYSA-N 438.553 4.892 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(O)cc1O 2327386089 LPMVIAVWRLQXHQ-UHFFFAOYSA-N 426.542 4.605 30 10 IJEE CCSc1nnc(CCc2cccs2)n1N=Cc1cc(Br)ccc1O 2329655781 VJRWWWKVLUUOKY-UHFFFAOYSA-N 437.388 4.587 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)(C)C)c(OC)c2)cc1OC 2330718214 CPRIDQSWCSQLPP-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(OC)c(OC(=O)c2cncc(C)c2)c(OC)c1 2331056959 AWVVRFSAKQWHNQ-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)c1 2331189910 VVNPMUOQMMRBNT-UHFFFAOYSA-N 435.465 4.635 30 10 IJEE C=C(C)CSc1nnc(CCCC)n1N=Cc1cc(Br)cc(OC)c1O 2331336888 HALCEARVQIVDCU-UHFFFAOYSA-N 439.379 4.648 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)c1cnccn1 2331376547 QWVISYFCONQARR-UHFFFAOYSA-N 444.487 4.646 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(Cl)cc2)o1 2331393036 HFVMQYFGXYDQNP-UHFFFAOYSA-N 432.933 4.783 30 10 IJEE CN(CCCCN(C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339542524 CTWMSLOVAPYZJB-UHFFFAOYSA-N 445.413 4.810 30 10 IJEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575868 BKRRKRKCVLULID-RMLDSDBCSA-N 433.405 4.825 30 10 IJEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339582173 PIVLSTVLDVCCNZ-JLQMKUNGSA-N 433.405 4.685 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)CC1 2340133962 PRECVBPROKRQAU-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE Cc1cc(N(C)[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)ncc1B1OC(C)(C)C(C)(C)O1 2357064613 ZALPJISHSBDEEG-CDNNERCOSA-N 448.416 4.509 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)C3(CCC3)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369735812 QPXPTMTUKUWRGP-UHFFFAOYSA-N 446.444 4.535 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H](O)C#Cc2cccc(Br)c2)C1(C)C 2370008547 QRNKJCLRCJGTGU-YTQUADARSA-N 436.390 4.881 30 10 IJEE CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3C)c3ccccc32)cc1 3041530 FYVCDKKJEHYJOQ-VYIQYICTSA-N 428.561 4.795 30 10 IJEE Cc1ccccc1OCCCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2ccccc2n1 12239805 HGELDRXFKSJTIP-UHFFFAOYSA-N 425.492 4.707 30 10 IJEE COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)Nc4cccc(C#N)c4)C3)c2C)cc1 15673884 JIMNTXKGBLZCJS-TZIWHRDSSA-N 427.508 4.603 30 10 IJEE biogenic N#C[C@@H](C(=O)c1ccc(I)cc1)c1ccc(Br)cc1 36930701 OLHNALQYKKLDOI-CQSZACIVSA-N 426.051 4.544 30 10 IJEE C=CCc1cc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=S)N=C2O)cc(OCC)c1O 38170493 NUKYJIKCMGNHRX-PDGQHHTCSA-N 436.533 4.808 30 10 IJEE Cc1cc(Br)cc2c1N(CCOc1ccc(Cl)cc1Cl)C(=O)/C2=N\O 39854034 RYVWSWKPUINIIE-QNGOZBTKSA-N 444.112 4.668 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccnc1 59264205 MGLVOCSHRBBPOX-UHFFFAOYSA-N 434.352 4.954 30 10 IJEE COCCc1nc2scc(-c3ccc(OC)c(C)c3)c2c(=O)n1Cc1cccc(C#N)c1 96528686 UPDSSORTYCVXLN-UHFFFAOYSA-N 445.544 4.551 30 10 IJEE COc1cccc(C(=O)/C=C2/Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3NC2=O)c1 104499205 LKUFJMWRXWLRNQ-OEAKJJBVSA-N 441.487 4.695 30 10 IJEE CSc1cccc(Oc2ccc(Br)cc2Br)c1/C(N)=N/O 136923058 IMZMHQNQBPUDGG-UHFFFAOYSA-N 432.137 4.820 30 10 IJEE CC(C)Oc1ccc(/C=N\n2c(S)nnc2Cc2ccccc2)cc1Br 169911675 XMUGIRCMAXEXRU-MTJSOVHGSA-N 431.359 4.590 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCCOC(C)C)c1 169939154 POMJXOJOHLSJFB-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)cc1 169956946 YASJODVZTAVCNZ-JOCHJYFZSA-N 449.507 4.572 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(C)c1 169970512 ILWOYTSBOBYYAB-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169987808 VKPDDNWTEPLXSH-SFHVURJKSA-N 442.399 4.717 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccn1)c1cc2ccccc2o1 169998431 BDDOPMJCZUXCAR-HSZRJFAPSA-N 442.446 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 170010011 DFAUPOWKSXDMDF-LJQANCHMSA-N 441.270 4.877 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)cc1 170052674 KIKYVBNZOUXKRX-QFIPXVFZSA-N 444.443 4.776 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2F)cc1C 170070119 OXRIGEQZSBGVQW-QHCPKHFHSA-N 445.446 4.954 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c[nH]c3ccccc23)c1 170073143 OTLMOYOCTGGJSS-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C2CCCC2)c1 170121615 OKZLMJSNRBEOMS-HSZRJFAPSA-N 435.520 4.842 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 170141827 YZSQVRHNXKHHIA-UHFFFAOYSA-N 445.563 4.842 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2C)c1 170274817 IWQFFSMCYJBTKC-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1sccc1C 170318978 FBPVYUXITGNGOQ-IBGZPJMESA-N 429.538 4.842 30 10 IJEE Cc1ccc2nc(CNC(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[nH]c2c1 466775906 JEPANFFJIXXQED-UHFFFAOYSA-N 425.492 4.838 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2csc(Nc3ccc(OC)cc3)n2)cc1 468105562 AXNOKJJFZHQPCG-UHFFFAOYSA-N 448.548 4.962 30 10 IJEE C[C@H](NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F 512666629 LQXGNPZISVMBPY-NRFANRHFSA-N 428.555 4.870 30 10 IJEE CCc1cc(O)nc(-c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)n1 521953433 DDSKHGXXLAGNFR-UHFFFAOYSA-N 437.459 4.723 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)s2)cc1 523813668 BFQHJPVFBMVVLO-ZIAGYGMSSA-N 428.489 4.722 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526488776 BOPQPJULNRUOGH-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c(OC)c1 526608590 KTDGAYUWGFPREU-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCOc1cc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc(Cl)c1OC 526824909 ACOYEDWTFWFJMI-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE CNc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 552239653 GKEMEXNVRUYMDA-UHFFFAOYSA-N 436.541 4.687 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)N(CCC)CCC)C2)c1 585967790 SPIFSNADHGCUDT-QFIPXVFZSA-N 428.621 4.960 30 10 IJEE CC(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 607718060 YSMWDZRCFAAOJQ-SFHVURJKSA-N 444.425 4.694 30 10 IJEE Cn1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)c(Br)n1 712427468 YMFLWNXICYDRDE-CQSZACIVSA-N 425.714 4.842 30 10 IJEE C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCCC2=O)cc1 728471161 VCAAHBFRMUPECN-GOSISDBHSA-N 425.488 4.968 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1cc(C)ccc1C 742214970 OPUPQCRTEDYUBH-JOCHJYFZSA-N 444.560 4.549 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@@]3(CCCOC3)C2)c1=S 747472824 NPUNUZGSCSZDAD-JOCHJYFZSA-N 449.020 4.683 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CCC[C@H]([C@H]3CCOC3)C2)c1=S 747833047 STYLGZABHXTHEA-ROUUACIJSA-N 449.020 4.538 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 749672395 QXPAJTWUVQHFFD-CLJLJLNGSA-N 446.510 4.581 30 10 IJEE C=CCc1cc(OC)cc(CNC2(c3ccc(Br)cc3)CCOCC2)c1O 754722121 DIFURXYQCJNLFP-UHFFFAOYSA-N 432.358 4.687 30 10 IJEE CC(=O)Nc1cc(C(=O)OCc2cc(Cl)ccc2OCC#N)cc(C(F)(F)F)c1 761356876 NJGHHIXPXPAFEP-UHFFFAOYSA-N 426.778 4.577 30 10 IJEE C#CCn1ccc(CN(CCOC)[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 789322725 AFPCNTNRPHHWPF-CQSZACIVSA-N 433.396 4.764 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 790244903 OEKPSILSISCRET-IQMFZBJNSA-N 448.514 4.954 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCCN1C(=O)OC(C)(C)C 790819151 CRDQOGZTDMJKSO-AREMUKBSSA-N 448.567 4.886 30 10 IJEE CCOc1cccc(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)n1 797834967 BDMBXAJENZWYRY-UHFFFAOYSA-N 446.454 4.599 30 10 IJEE C=CC[C@]1(C(=O)OCc2nc(-c3ccccn3)cs2)CCCN1C(=O)OC(C)(C)C 800340540 IFATUQBMNUDYBJ-JOCHJYFZSA-N 429.542 4.594 30 10 IJEE O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=N\O)cc1 953082345 RFBCEOPXMISSBQ-IDUWFGFVSA-N 430.052 4.507 30 10 IJEE COc1cc(C#N)ccc1C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 1125631848 BOPSYOQXCAQXQP-SFHVURJKSA-N 432.307 4.507 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)COc2ccccc2OCC(F)(F)F)C(F)(F)F)cc1 1128970413 HJDYNEYDQYFJLU-GOSISDBHSA-N 432.316 4.835 30 10 IJEE C#CC[C@]1(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1129324138 DAFWVBRBFXCWHW-AUSIDOKSSA-N 449.016 4.826 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)F)c1ccc(Br)cc1 1129610866 QRRLTRFVKQHDJL-QGZVFWFLSA-N 430.252 4.677 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nc3c(OC)cc(Br)cc3s2)cc1 1135013183 UXAWYNDUQYKHMV-UHFFFAOYSA-N 433.327 4.813 30 10 IJEE C[C@@]1(C#N)CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1152085267 FEHBIFMXVYAJHD-FPOVZHCZSA-N 431.305 4.861 30 10 IJEE C=CCC1(C(=O)N2CCn3c(Cc4cccc(Br)c4)nnc3C2)CCCCC1 1155839965 ZIQUIBFUZDPUAV-UHFFFAOYSA-N 443.389 4.500 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 1170344810 ATLSQZXZTGIAEU-GOEBONIOSA-N 442.478 4.788 30 10 IJEE C#CCN(CC#N)CC(=O)N(Cc1ccccc1)c1nc2ccc([C@H](C)CC)cc2s1 1193733483 FWIUPTFUYWUBNA-LJQANCHMSA-N 430.577 4.802 30 10 IJEE C=CCC1(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCCC1 1214866221 SYGXRRXPQHFAAP-YYADALCUSA-N 446.617 4.538 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(Cl)cc1F 1216106008 DYGLCCCGRPDCLH-QGZVFWFLSA-N 428.254 4.686 30 10 IJEE C[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)Sc1ccc(Br)cc1 1219069361 HYHZRQZTHNGBKL-MRVPVSSYSA-N 431.768 4.733 30 10 IJEE C=C(C)CN1CCC(NC(=O)Nc2cc(Br)ccc2OC(F)(F)F)CC1 1219219378 UKRHNAWGHRUCBP-UHFFFAOYSA-N 436.272 4.510 30 10 IJEE C=C(CNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)c1ccccc1 1251694471 JFIFUYNZBXCCLK-WIOPSUGQSA-N 432.495 4.589 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(C)nn2C(CC)CC)c(C(=O)OCC)c1C 1264357382 NLSCPLFJTODCBG-UHFFFAOYSA-N 447.557 4.694 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 1273306278 XQGVQTCZHLMFGP-WBVHZDCISA-N 432.860 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC[C@H]1OC 1286277009 VULYTCFQUNMHKG-PWIZWCRZSA-N 435.597 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N1CCCCCC1 1286281544 HXAHNHSSGZLJAL-INIZCTEOSA-N 448.398 4.503 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC2(CCCCC2)O1 1286300695 CFWVHALDXWXJSX-JTHBVZDNSA-N 436.600 4.814 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC2(CCCCC2)O1 1286403426 JYHNPFUFLTXLAD-LJQANCHMSA-N 440.950 4.692 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1286419661 CFCGVLKBBBQOON-UBFVSLLYSA-N 432.612 4.734 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H]1CCCn2cc(C)nc21 1286454028 FCBCZCNVECYMJJ-NQIIRXRSSA-N 434.563 4.653 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)Cc1cccc(Br)c1 1286508925 RUNHWZQSQNVUEH-UHFFFAOYSA-N 447.446 4.776 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC1CCN(CC)CC1 1286525166 UAUOUEHMLIATHJ-RUZDIDTESA-N 440.035 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCNC(=O)C(C)C 1286565963 INGITJMYJYGHPU-SFHVURJKSA-N 443.661 4.696 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1286599216 QDDHZNFLIUZDDD-YTFSRNRJSA-N 437.632 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286674709 UOAOXLBPEMEWDV-KNQAVFIVSA-N 426.605 4.535 30 10 IJEE C=CCCCCn1c(N2CCc3c(Cl)cccc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286691939 VCIXDVRKWDKJOI-XMMPIXPASA-N 445.007 4.891 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC1(COC)CCC1 1286720245 QNGMISPEKFSSSM-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2OC)n1CC1CCN(Cc2cccs2)CC1 1286720874 PKECMMWFYOBDGG-UHFFFAOYSA-N 437.613 4.550 30 10 IJEE C[C@@H]1C[C@H](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1291016401 DURXESFAGGZOGU-PNCHPQGNSA-N 427.980 4.934 30 10 IJEE C#CCN(C)c1nnc(CC2CCCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1300469860 CAOHPKPIJSPMSA-UHFFFAOYSA-N 437.588 4.670 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1300990337 JKFKBESEWLOPFY-JOCHJYFZSA-N 445.007 4.510 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nccs2)C1 1301018495 DOFANOABUORFGP-QZTJIDSGSA-N 429.977 4.607 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)c2cccs2)CC1 1301127459 NEJHOIVFQDKDNO-HSZRJFAPSA-N 444.551 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)C2CCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1301159071 UPSOMGSPYXBOMF-UHFFFAOYSA-N 437.632 4.919 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301207747 GDLWYSBXSHQARD-IBGZPJMESA-N 439.604 4.919 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301239988 ZAHBGUHPZHNXFT-GOSISDBHSA-N 432.996 4.526 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1301245592 GBJZFUMJNNKKPQ-QFIPXVFZSA-N 431.540 4.906 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1sccc1C 1301342097 RSYAHNFEDXMQRP-UHFFFAOYSA-N 444.564 4.536 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1301474686 FVUBTUNCRHQQAI-BXXSPATCSA-N 438.616 4.987 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1scnc1C 1301624631 WVYHOXXQZIKKIT-SJLPKXTDSA-N 435.663 4.517 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCCCC1)OC 1305358655 HLOFBIIPSIMFHA-GCJKJVERSA-N 425.577 4.559 30 10 IJEE Cc1ccc(NC(=O)N2CCN(c3c(Br)cccc3C#N)CC2)cc1Cl 1307074508 FAWLRVTUPAULTN-UHFFFAOYSA-N 433.737 4.637 30 10 IJEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 1307627746 DYAXKKIHXWSYBW-HSZRJFAPSA-N 433.943 4.857 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1F)c1ccc(C(F)(F)F)cc1 1309334768 ONWOWWCWSPLUAI-GOSISDBHSA-N 444.450 4.789 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(c2ccncc2)C[C@H]1C 1310255197 DVXQYOUEAUISDY-HXUWFJFHSA-N 441.535 4.583 30 10 IJEE C#CC[C@@]1(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1356312512 GMIPTPZAJRVEKM-DEOSSOPVSA-N 432.992 4.818 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CCCN1C(=O)OC(C)(C)C 1356506348 DTHRYJDMLZAFOC-QFIPXVFZSA-N 447.507 4.820 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccc2ccccc2c1 1358350382 BJAWSXDVCSWXLB-JOCHJYFZSA-N 433.483 4.846 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1cccs1)N1CCCC1 1358879186 MLRHSTJORZXIMS-FXAWDEMLSA-N 440.016 4.955 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCC1CC1 1358912572 TWDCEZUIDQRHFJ-OAQYLSRUSA-N 443.636 4.823 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(F)(F)F)CC1 1358922824 SIWDKZIATKELHE-UHFFFAOYSA-N 441.295 4.900 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1N(C)CCCC1(C)C 1358939868 HVKNQVDMKBLPAP-HXUWFJFHSA-N 448.640 4.567 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359052220 YHMGHEQTQBZUHM-WIYYLYMNSA-N 449.451 4.894 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1359053789 YJKOFUIOUQFGGS-PXNSSMCTSA-N 435.424 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C)C1 1359091129 JHBZMCFXHCJEFW-JYLXEMOASA-N 428.552 4.775 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359119339 MGESUYUWEYEEHO-INIZCTEOSA-N 431.968 4.620 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[C@H]2C)CC1 1359169872 YLYLENCSAFOGBV-AABGKKOBSA-N 429.609 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OC)C1 1359186109 VGHAUVZUCQCGPP-INIZCTEOSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1359188904 XALRHSFDNQLQOU-PZJWPPBQSA-N 428.577 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359192164 YBZPTJWJUIUCRU-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CSCCS1 1359258049 DUOBJAVIGJRNKO-HXUWFJFHSA-N 437.638 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1 1359262375 RDTZOXOSMMDTQM-UHFFFAOYSA-N 442.548 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CC[C@H]1COCCO1 1359262585 YNLGQNHJTZZEOT-KRWDZBQOSA-N 444.988 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2ccc3ccccc32)n1CCC(C)(C)O 1359264522 HGSRQNVKWRLTLU-UHFFFAOYSA-N 435.597 4.696 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CC(C)(C)c1ccc2c(c1)OCO2 1359276353 ZYUYLIHLYLSXBQ-UHFFFAOYSA-N 436.556 4.936 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2ccnc(SCC)c2)C1 1359317916 SUBHMVCCTBAQBI-FQEVSTJZSA-N 435.597 4.590 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCCc2sccc2C1 1359344367 VIHKHGATAJLJBH-UHFFFAOYSA-N 428.602 4.942 30 10 IJEE C=CCC1(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CCCCC1 1359876232 VWZPKJDMRKAABY-UHFFFAOYSA-N 428.577 4.604 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C 1435044229 LKAUARPIPSMCCE-INIZCTEOSA-N 444.494 4.939 30 10 IJEE C#C[C@H](NC(=O)c1c(C)nn(C)c1Sc1ccccc1)c1ccc(Br)cc1 1436652313 YWISRGMYWFRHCE-SFHVURJKSA-N 440.366 4.747 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 1448870755 URUQZNUYKHDBKY-IBGZPJMESA-N 431.964 4.887 30 10 IJEE Cc1cc(NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n2c(nc3ccccc32)c1C#N 1458201310 GWBGAWZNBGFWGO-UZLBHIALSA-N 449.555 4.840 30 10 IJEE C=CCOc1ccc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2CC)cc1 1460656139 OUKZDSWNDBVMNM-HSZRJFAPSA-N 438.568 4.739 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3cnc(-c4ccccc4Cl)s3)CC2)c1 1461242504 CUUSDHYTTNCLHM-UHFFFAOYSA-N 436.968 4.730 30 10 IJEE C#CCCN(CCOC)C(=O)c1ccc(C)c(OCc2csc(Br)c2)c1 1461784610 NTGUWMCSHVJNGU-UHFFFAOYSA-N 436.371 4.510 30 10 IJEE C=CC[C@@]1(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1464330788 BNTUZWBOAVBGBF-QHCPKHFHSA-N 449.979 4.521 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 1466279401 VSGTXPZFODQEPT-UHFFFAOYSA-N 430.430 4.837 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)cc(I)c1C)C(C)(C)C 1467103787 DSXAKFKAWUJKEG-ZDUSSCGKSA-N 449.130 4.532 30 10 IJEE C#C[C@H](NC(=O)NCCc1cc(Br)ccc1F)c1ccc(Cl)cc1F 1468326184 UPXOOZRKOFQUNH-KRWDZBQOSA-N 427.676 4.597 30 10 IJEE C=CC[C@@H](Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 1472805026 VMNIOGAKBSXHBO-FQEVSTJZSA-N 443.569 4.759 30 10 IJEE C=CCCC[C@H](NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1 1473759533 IZSJTOBNOQGBGU-NRFANRHFSA-N 447.410 4.724 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2OC(F)F)c1 1474930823 LYMOIQUSGIEQAB-UHFFFAOYSA-N 431.435 4.804 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1475107578 FRXBRKFHVWONBW-NVXWUHKLSA-N 428.863 4.845 30 10 IJEE C=CCc1cc(CNC(=O)N2[C@H]3CC[C@H]2CC(CC(F)(F)F)C3)cc(OC)c1OC 1477657972 NNZPUMODZGWDIU-ROUUACIJSA-N 426.479 4.837 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C 1477916003 QTGFRYOAYRPNMP-AREMUKBSSA-N 447.623 4.573 30 10 IJEE C#C[C@H](NC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1478096038 GSOVLIIAPDWNCP-KRWDZBQOSA-N 425.932 4.536 30 10 IJEE CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 1478105774 FPOQAZGPXQXBNU-QHCPKHFHSA-N 434.584 4.966 30 10 IJEE C#CC[C@H](NC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1478245173 HVGWMSHZMFMKLI-DQEYMECFSA-N 426.516 4.577 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccc(Br)cc1 1478895410 CCLSEPFMYLRXKX-WOJBJXKFSA-N 443.341 4.687 30 10 IJEE C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC)c1ccc(Cl)cc1F 1478899099 AUUHSATYOWMHJO-APWZRJJASA-N 437.943 4.584 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 1479122660 SOYDJCBEUNIYBO-UHFFFAOYSA-N 436.281 4.703 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCCO1)SC 1496526250 CHNVXCPDVRJTRK-HXUWFJFHSA-N 427.618 4.744 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(CC)CC1CCC1 1507595374 OSIOARXOJFPQLJ-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](c1cccnc1)C(C)C 1507601542 HFKIJJSMBADFPO-GGAORHGYSA-N 431.584 4.939 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(Cl)s1 1507662187 PJBCDUHQZJWMOW-UHFFFAOYSA-N 446.967 4.561 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(C2CC2)CC1 1507682791 VZMSHMOASGNFJT-UHFFFAOYSA-N 432.399 4.586 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507694045 IGRPXTUCTRNPHL-OALUTQOASA-N 434.506 4.825 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](OC)C(C)(C)C 1507762144 PNEBXBUMYUIPTO-AUSIDOKSSA-N 430.980 4.660 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCN(CC)C1 1507763191 QUXKCPGRQBSQDZ-WXVAWEFUSA-N 449.643 4.704 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@H]1CC=CCC1 1507790215 ASBARSLXBWTZHL-SFHVURJKSA-N 431.378 4.867 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1507934986 LKJIZFVDVJAVSJ-OXJNMPFZSA-N 434.943 4.509 30 10 IJEE CCc1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@@H](SC)C2)s1 1513714162 CLZZTUQJWNTUNN-LJQANCHMSA-N 438.626 4.606 30 10 IJEE CO[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1517862920 BRFWMPLESAZLQK-UGKGYDQZSA-N 446.020 4.779 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCC(=O)N2CCOc3ccccc32)C(C)(C)C)cc1 1523656790 DYLVQAGAKSIXJW-UHFFFAOYSA-N 436.552 4.584 30 10 IJEE N#Cc1cc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)ccc1Br 1524011788 AHUZCMSAXXBFHP-UHFFFAOYSA-N 435.203 4.778 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl 1524022903 YYKIJRGDMUSIFY-QFIPXVFZSA-N 438.955 4.684 30 10 IJEE CC(C)(NC(=O)COc1cccc(Br)c1C#N)c1cccc(Cl)c1F 1524140849 CHPSZOJGCOZLBV-UHFFFAOYSA-N 425.685 4.544 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCc2cnn(C)c2C1)c1ccc(C)c(C)c1 1531212847 GLCOPCSVRZUWIK-NRFANRHFSA-N 429.564 4.940 30 10 IJEE COCCN(CC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C(=O)OC(C)(C)C 1532874491 BHRGRXHBSMEFLZ-UHFFFAOYSA-N 441.553 4.531 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1538975693 BZUXJSWHAVAKGE-PRAZENRCSA-N 442.991 4.549 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOCC2(CCC2)C1 1539052586 GRSZONZVXLWJID-LJQANCHMSA-N 442.991 4.882 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H]1CSC 1539103109 NXTVDZSWAXLFPK-LJQANCHMSA-N 436.581 4.862 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCSCC(C)C 1539241697 HZVURQODVPJYJA-UHFFFAOYSA-N 445.430 4.560 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1539586028 DZLBAQFKZZBZGK-VIKVFOODSA-N 425.733 4.881 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1539622842 YFQIYIWHSNIXLV-JXFKEZNVSA-N 449.382 4.834 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nc(C)nc2sc(C)c(C)c12)c1ccccc1 1539636102 RQACNMVFCXDKCQ-NDEPHWFRSA-N 431.608 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1539912420 IGCGPKNLXBOSHT-HSZRJFAPSA-N 444.627 4.901 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1539984853 BNJDLDCYUJPOIY-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@H](OC)C(C)(C)C 1540120567 SUABFCOJZDZYBZ-QFIPXVFZSA-N 435.572 4.602 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C 1540136310 GPRPIAPTGSNDEA-NHCUHLMSSA-N 430.568 4.913 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCC(C)CC2)C1 1540885585 LVEWVIPHUSTGGA-QFIPXVFZSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C(F)(F)F)C1 1540895559 VDSXGYZJYZFIMC-SFHVURJKSA-N 438.494 4.535 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCCC[C@@H]1C 1541335961 HBRWRDVXQJDGIV-NRFANRHFSA-N 432.616 4.831 30 10 IJEE C[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)C1 1543765461 GTKDZXUZXKHCQE-ZWKOTPCHSA-N 448.571 4.793 30 10 IJEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCCC2)C1 1547222782 HUQUVCPQQKGQGF-HSZRJFAPSA-N 448.615 4.530 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 1555434976 AMPNCGVPACTUCR-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE C=CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1CC=C 1559315701 FETLWAOBHKKXMD-MRXNPFEDSA-N 430.643 4.738 30 10 IJEE Cc1cc(S(=O)(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(C)cc1Br 1561973466 FUWHOLOFDWVWMJ-UHFFFAOYSA-N 433.371 4.506 30 10 IJEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@H]1CCCc2ccccc21 1564667529 AUTKFFSQUDSQSJ-PKTZIBPZSA-N 439.600 4.792 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 1564774467 MNBKNNMKAXTTTR-UYAOXDASSA-N 448.336 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1C(F)(F)C12CCC2 1587575115 QBKXDVDSORKDGR-XJKSGUPXSA-N 435.316 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCOCCC(C)C 1587604747 YLGLRMWEDPPULC-KRWDZBQOSA-N 433.394 4.618 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1587777483 GXQQDZMAPGMIQZ-UHFFFAOYSA-N 447.627 4.555 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)c1cccs1 1588128070 BMJPRFBHBDFJPO-UHFFFAOYSA-N 441.560 4.712 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1589186251 VFXXLFULVJIHED-RXFWQSSRSA-N 449.599 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC 1589506347 VDAXHVZDPIHSBX-GUYCJALGSA-N 439.785 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1593600681 ZUYDWKGIAZBPEK-IRXDYDNUSA-N 447.986 4.835 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@](C)(CC)C1 1593660059 FKIOPEMEBLKGNB-QHCPKHFHSA-N 432.996 4.833 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1593694802 AFRXTJBVWXGDSI-XMSQKQJNSA-N 447.023 4.988 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1593703653 LTSWYHDABSZOBC-VQTJNVASSA-N 445.007 4.834 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1Cc2ccccc2[C@@H]1C 1593825877 DVLMZVIMWFAZMP-ZDUSSCGKSA-N 432.753 4.880 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccnc(SC)c2)CC1 1594438038 QNLUWGAUSDGKFZ-TZIWHRDSSA-N 441.645 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1594510800 AHWAGZSCHRCJDJ-VQTJNVASSA-N 443.661 4.879 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1594600059 HIBZFTIHKDJPEZ-SFHVURJKSA-N 434.544 4.784 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1594635410 VKXPUQZWZOQRKO-JOCHJYFZSA-N 430.543 4.899 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCCc1nccs1)C1CC1 1595034004 UWHAUWVMRMVMSE-UHFFFAOYSA-N 444.402 4.952 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCC(=O)Nc1ccccc1 1595149871 WNPWMZCQIFAROS-UHFFFAOYSA-N 446.580 4.567 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21)C(C)C 1595165221 CVYSRYYZHQGGAZ-KMDXXIMOSA-N 430.600 4.504 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1n[nH]cc1Br 1611475688 CAYUXLOFUXKJRB-UHFFFAOYSA-N 434.109 4.714 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 1611544563 KRFSJCSCGADOEZ-UHFFFAOYSA-N 446.513 4.936 30 10 IJEE Cc1cc(C)cc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H](C)CC#N)c1 1611915780 HUERVTDAUOMCFL-MRXNPFEDSA-N 441.377 4.634 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1613129887 AOORDMBDJFEQPU-QUZZAMIASA-N 447.530 4.738 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2ccc(OC(F)F)cc2)Cc2cccs2)c1 1616146759 ZQOIKQOFSXZPBZ-UHFFFAOYSA-N 426.488 4.654 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2Cc2sccc2C)cc1 1616396720 HFNCABYIVVGAAV-MSOLQXFVSA-N 439.585 4.973 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 1618399226 FFZKHONDABOQPA-IBGZPJMESA-N 449.979 4.596 30 10 IJEE C=CCC[C@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1 1624203729 QSSKVHGXIDDMNS-MJGOQNOKSA-N 434.349 4.605 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3O[C@@H](C)C(F)(F)F)n[nH]2)c1C 1625817300 JQXWWPQXKLNNED-AWEZNQCLSA-N 433.434 4.658 30 10 IJEE C=CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 1626437944 WCEDDUXVVQUGRR-LRXXLLMYSA-N 443.503 4.687 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C(F)(F)F)c(O)n1 1626554513 YLRIRTXOMDLZCY-UHFFFAOYSA-N 433.199 4.536 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 1631681124 YBUFATXYXAHQPJ-FQEVSTJZSA-N 440.547 4.835 30 10 IJEE CC#CC[C@@H](CO)NC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 1632082625 DSZGYJOZKFPYQW-SANMLTNESA-N 443.612 4.992 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2c(C(=O)OC)sc3ccccc23)cc1OC 1632565082 DXAQEBYVIFPJDS-ZRDIBKRKSA-N 437.517 4.591 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](Cc3ccccc3)c3ccccc3)n[nH]2)c1C 1634700702 STERVIGMWCBSGK-HSZRJFAPSA-N 439.563 4.832 30 10 IJEE C=CCC[C@H](NC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21)c1ccccc1 1636821624 SQCMKZVKNHYWSG-FQEVSTJZSA-N 448.567 4.885 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(Cc2cc(F)ccc2OC)CC1)c1ccccc1 1638030409 VFRCIGNOPRPGKF-HSZRJFAPSA-N 425.548 4.759 30 10 IJEE COC(=O)[C@H](Cc1ccc(C)cc1)SCC(=O)Nc1ccccc1SC[C@@H](C)C#N 1641096289 FTGKWEKMKHOEOS-UWJYYQICSA-N 442.606 4.703 30 10 IJEE C=CC(C)(C)CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 1642170706 SDEDECCXTIJTFF-UHFFFAOYSA-N 431.330 4.739 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 1642539788 DMQJMCCMXRIJGQ-IIBYNOLFSA-N 434.483 4.740 30 10 IJEE C#CCN(Cc1ccn(-c2ccccc2F)n1)[C@@H]1CCOc2ccc(Br)cc21 1653392369 WKKBSSPPNNJYAW-HXUWFJFHSA-N 440.316 4.733 30 10 IJEE N#CC1(CCN(CCN2CCOCC2)Cc2sccc2Br)CCCCC1 1653781245 DBGBPTVFYHVBSN-UHFFFAOYSA-N 440.451 4.509 30 10 IJEE CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1Br 1654296665 FXQLUAAGBYOTQL-FQEVSTJZSA-N 427.342 4.762 30 10 IJEE N[C@](C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)(c1cccc(F)c1)C(F)(F)F 1654480428 FESWAWVCAVPWAD-UGSOOPFHSA-N 434.355 4.577 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1c[nH]c2c(Br)cccc12 1655024673 BICZYPDDEBIQOH-UHFFFAOYSA-N 435.343 4.629 30 10 IJEE C#CCCN(Cc1cc(Br)c([C@H](C)OCOC)cc1F)CC(F)(F)F 1657670372 DOEATEDPHBRTMZ-LBPRGKRZSA-N 426.248 4.657 30 10 IJEE C=CCC[C@@H](NCc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1661985748 DSBRFZRFGURCSC-RBBKRZOGSA-N 425.577 4.647 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1662379046 QNMDFZPEMDEHAG-SFHVURJKSA-N 445.434 4.617 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 1665131849 VVXJRCFDYLBXNP-IBGZPJMESA-N 435.524 4.756 30 10 IJEE C=CCN(C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)[C@H](C)COC 1665665542 OUQXBDIXNKGFJL-CYBMUJFWSA-N 429.464 4.687 30 10 IJEE C=CCCCN(CC)C(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1665877312 CNIKDEARKLBYQT-UHFFFAOYSA-N 438.450 4.888 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[C@H]2CSc3ccccc3O2)cc1 1668389279 IEHCLWCTVKBLCC-FQEVSTJZSA-N 437.565 4.566 30 10 IJEE Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1670894587 GMEXVMGOUBSGPX-UHFFFAOYSA-N 446.326 4.984 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 1672210563 XRGPPRXBPZTFRR-UHFFFAOYSA-N 434.290 4.629 30 10 IJEE C[C@H](NC(=O)Nc1nnc(C2CCOCC2)s1)c1ccc(-c2cccc(C#N)c2)cc1 1672405622 CHRJMTRYDPLFAE-HNNXBMFYSA-N 433.537 4.853 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)[C@H]1CCCO1 1673342652 NXOCQUOPMVAFST-RTBURBONSA-N 433.277 4.683 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)c(F)c1 1678171052 JNCPSXSOYKWMDZ-YADHBBJMSA-N 449.929 4.608 30 10 IJEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1679507066 ATZOVVORTXPPBH-QHCPKHFHSA-N 444.604 4.745 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)cc1 1682443387 ZZNDXSWXIVVMED-QHCPKHFHSA-N 429.511 4.508 30 10 IJEE C=CCCCN(CC)C(=O)N[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1687792268 IVSGLHMZOSILEN-NBGIEHNGSA-N 443.588 4.888 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1689828288 MUZSCGZOLKILCF-REWPJTCUSA-N 444.627 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC1CCC(OC)CC1 1690049066 XYSLCCGMXNAQHC-UHFFFAOYSA-N 439.003 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1OC 1690196775 XPFHONSCUKUTDV-LQBOVUBWSA-N 443.389 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(=O)N(C)C 1690256056 BQKPWHFRWHTPLV-GOSISDBHSA-N 448.011 4.569 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCn1cncn1 1690259873 ZYAAKHYHMITVMR-UHFFFAOYSA-N 437.548 4.507 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690281265 DOWNQDSPHMMTPX-YJBOKZPZSA-N 431.968 4.524 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)N(CC)CC)CC1 1690367130 CJFGZMJMOCZPIX-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2c(Cl)cccc2OC)CC1 1690368864 OTLQQRAQOAPHTJ-UHFFFAOYSA-N 430.339 4.860 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)CN2CCCC2)CC1 1690380046 ABDFCHSZSGRLJP-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN(C)C2CCCCC2)CC1 1690381110 ZMIPOHIHCRMACJ-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)CC1 1690404629 LOQGZCMIAMKLRE-UHFFFAOYSA-N 436.387 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1690422696 XCDODUMJAUHEIK-JOCHJYFZSA-N 426.605 4.740 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1690470689 IPZGWDVZVQELSV-QUCCMNQESA-N 427.980 4.597 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(C(C)C)C1 1690568979 ACSVRDANOPDHKY-HXUWFJFHSA-N 436.579 4.725 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](SC)C1 1690683051 AHIZDSJDFWKTCJ-SFTDATJTSA-N 442.629 4.507 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1690706877 LMTHIRXYSNGIIW-WOJBJXKFSA-N 432.609 4.567 30 10 IJEE C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1692731991 GRVPZMZCKIGVGJ-YBNJHJSASA-N 443.542 4.581 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H](C)N1CCCCC1 1692922959 GGZYAKVXEMMLDW-IBGZPJMESA-N 432.572 4.619 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(C)(F)F 1696772758 HNERZHINVOULAX-UHFFFAOYSA-N 428.352 4.980 30 10 IJEE CSc1ccc(F)cc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@](C)(C#N)C1 1698376761 FGJWZKNSYKRKCC-HSZRJFAPSA-N 436.560 4.688 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](OC)C(C)C 1705484683 UEOZSEVGUVFWNS-QFBILLFUSA-N 426.561 4.942 30 10 IJEE C#CCSCCn1c(N2CCC[C@@H]2c2nc3ccccc3s2)nnc1C(C)(C)C 1705665499 VSTJOFSHLRWARN-QGZVFWFLSA-N 425.627 4.893 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCCC[C@H]1C 1705671169 YOMVOHLOGBTFQB-NTKDMRAZSA-N 441.023 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(OC)CC1 1705702262 GGBPUHVQKVYLLT-XZOYJPPVSA-N 445.007 4.975 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC1CCCCC1 1705710388 XNVRBXCSTASDIT-GBXCKJPGSA-N 442.579 4.994 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CCN(CCC)CC2)CC1 1705765124 ZFIDADZYNIIUJE-UHFFFAOYSA-N 445.558 4.825 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccoc2)CC1 1705777976 WOXAWMUIAYUVNO-UHFFFAOYSA-N 431.309 4.890 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC[C@H]1C 1705788363 YGLFZDYEYHIRFP-GOSISDBHSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCC[C@@H](COC)C1 1705789513 NKBYDAXMIJPZFS-OAQYLSRUSA-N 448.615 4.986 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1705808550 QORBBMUZXXYVGB-DEOSSOPVSA-N 448.615 4.636 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCCO2)n1Cc1c(C)sc(C)c1Br 1705841823 DERHDGSBPYPQTF-OAHLLOKOSA-N 425.396 4.631 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC[C@H]1CCO[C@@H](C)C1 1705862068 XWNAKMAVGJXDFD-VXKWHMMOSA-N 431.584 4.662 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CCN(C)C(C)C 1705862448 KTRZMRGSUXFHEO-UHFFFAOYSA-N 442.970 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC1(SC)CCN(C)CC1 1705864125 RMMZMEGPQGWDOI-GOSISDBHSA-N 433.691 4.873 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1705866563 UBWGDHSUQZFACX-ZVDOUQERSA-N 430.618 4.979 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cc(Br)cs1 1705888737 QOIZEIQRDKIMJB-UHFFFAOYSA-N 449.374 4.609 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H](c1ccccc1)N1CCCC1 1706126437 AGGHFMRBWDVCRL-HSZRJFAPSA-N 434.632 4.834 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCc1nc(C(F)(F)F)cs1 1708450701 CINPPZJTAJCVIY-ZDUSSCGKSA-N 426.512 4.640 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOC)CCC1 1722280013 IQBDPJBTXMDHJM-GOSISDBHSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(Br)c1 1722313985 FYSYYAPLXLKUPI-UHFFFAOYSA-N 438.373 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)F 1722492790 VATRYFCYICKGEC-FTRWYGJKSA-N 438.494 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1722517319 JKXRXXDDOCZFIF-QHCPKHFHSA-N 439.648 4.560 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccnc2OCCC)CC1 1722576151 BPHQAMLSLQEWPX-UHFFFAOYSA-N 433.556 4.588 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1722576526 KOVIJNARKIAIJF-UHFFFAOYSA-N 425.577 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](COC)C1 1722582889 LONNQOOXSLZNBC-FQEVSTJZSA-N 439.604 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722587342 KWSJRYFUUFEOBD-UHFFFAOYSA-N 438.551 4.936 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C 1722667147 UNXFSRJERKTATF-HFZDXXHNSA-N 445.696 4.916 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2CSC)nnc1C1(c2ccccc2)CCC1 1722739050 DMLLDUYPIMFJND-HXUWFJFHSA-N 428.671 4.999 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H]1CCCCO1 1740658947 HSKONCXARJHDIF-FQEVSTJZSA-N 443.016 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1OCC(F)(F)F 1740730869 KFKWWWWSOJMREG-SIKLNZKXSA-N 448.489 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)CCC(C)C 1740735289 YXOOEUKYLZYHSW-CLJLJLNGSA-N 438.616 4.653 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1740753479 KONUUHYFDDTXND-XKGZKEIXSA-N 430.980 4.583 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC2CC(OCC)C2)CC1 1740820452 DSHMGAZCGKANQO-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](OCCOC)C1 1740847924 YBFVPEZPEJXKQC-IBGZPJMESA-N 437.588 4.661 30 10 IJEE C=CCCCCn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1740866719 LZIKMFWLKVEHMK-MHECFPHRSA-N 428.552 4.549 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1740870246 KRKBWCPACNHRGL-IBGZPJMESA-N 432.515 4.766 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)c2ccccc2)CC1 1740878785 VUUXESBNGTXJGJ-UHFFFAOYSA-N 436.629 4.705 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@H]1CCO[C@H](C)C1 1740893269 DHQRLTZWQDRYRI-CABCVRRESA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCc1nnc(C)s1 1740922011 QMQQWYCQLARYRN-UHFFFAOYSA-N 436.610 4.910 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C)C(C)C 1740927061 QMYLNEKQXSPGCM-DENIHFKCSA-N 444.023 4.522 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCS1 1740938379 FEQGQGLTMXDTET-SJLPKXTDSA-N 432.659 4.666 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740946914 JSCVMZUOJJGFRZ-SXLOBPIMSA-N 429.609 4.594 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@H](CC(C)C)C2)cc1 1740967766 PUDAUYHJEURMEL-HSZRJFAPSA-N 431.584 4.749 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNc1ncc(Cl)cc1Cl 1741984050 GOHVFZSYAWUWEY-HXUWFJFHSA-N 436.391 4.520 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1748730231 JYYKPCLNYHJMNR-RBUKOAKNSA-N 449.368 4.843 30 10 IJEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@]2(CC=CCC2)C1 1749039764 AKWUFTICAWFWBC-VWLOTQADSA-N 436.625 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCn1ccnc1C 1749143353 HJIUQELQMPVRJK-KRWDZBQOSA-N 428.968 4.679 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(-n2cccn2)c1 1749146875 QNIDOTODVHOSRZ-UHFFFAOYSA-N 427.556 4.539 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(F)F)C1 1749214052 TYPYVXGXZLJMOA-IAGOWNOFSA-N 438.494 4.631 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749231265 KHLIKHCIVPMRKK-NRFANRHFSA-N 447.023 4.899 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2CCN(CC)CCC(F)(F)F)CC1 1749343086 ANCJZJNUHBYIGY-UHFFFAOYSA-N 449.565 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749357056 ICRIXYVEKWRSNR-LJQANCHMSA-N 437.632 4.937 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@@H](C)C1 1749436914 AEXMHVVYPLKOFQ-HNNXBMFYSA-N 437.407 4.528 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1749447795 OAMAUJHYUWXTOQ-DLBZAZTESA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC=CCC1 1749529482 DYGNIIASIWRDNK-QFIPXVFZSA-N 446.599 4.697 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCOC1CCCCCC1 1749532071 PXUUJWOKJLHYHJ-HSZRJFAPSA-N 449.599 4.586 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccoc1 1749549062 PGMJSPBEPVYWKM-UHFFFAOYSA-N 436.537 4.858 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@H](c1ccccc1)N(C)C 1749551402 ZFEPAEBMLOIHNA-QHCPKHFHSA-N 444.608 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749552860 BZVCLGZUTYGGDH-YOSAUDMPSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(C(C)C)n1 1749564925 FHXYQUMFZURMRB-UHFFFAOYSA-N 428.993 4.995 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1cc(C)nc(N2CCCC2)c1 1760227845 OHBVQXDVLROMSF-XMMPIXPASA-N 442.611 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCOCCC(C)C 1760291021 XKQXUNRSYNMKCU-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@H](c1ccco1)N(CC)CC 1760295270 BIHCIUJKMCXHBI-YIXXDRMTSA-N 445.611 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1760297556 ZMLOOHPBBCOPET-FMGHJNRGSA-N 447.671 4.814 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](CC(C)C)C1 1760310785 CXAFVGYOMUAJOA-LJQANCHMSA-N 447.421 4.853 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1760317136 AYSNZMDJPFPIDX-UYAOXDASSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760322965 ZXIHIYLWTKQAKO-LSQMVHIFSA-N 443.680 4.550 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(C)CCc1nccs1 1760369927 AURUVUZXHKLRIF-UHFFFAOYSA-N 438.782 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCO[C@H](C)C2)CC1 1760384015 HJHBLQOYLSMVRN-HZPDHXFCSA-N 449.368 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1760411430 LWVIHBUETMNVTJ-LJQANCHMSA-N 448.615 4.667 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1760413165 ZMLRPBNDEDFHMY-LAUBAEHRSA-N 446.542 4.631 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760432501 NTOHQASHXSVQRC-GOSISDBHSA-N 428.577 4.810 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(Cc2ccccc2)CC1 1760435099 XLJALLHFMGCONR-UHFFFAOYSA-N 436.991 4.672 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1760479408 NRHXWQXLDFYCGJ-SFTDATJTSA-N 432.616 4.588 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCCCO1 1760502318 UYOBZMUXADDXHK-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@@H](C)C1 1760504647 XALCZURPYITZNG-JKSUJKDBSA-N 439.387 4.706 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCC3)nnc2N(C)Cc2cnc(C(C)C)nc2)cc1 1760529307 BZZBLCLLFPNCCN-UHFFFAOYSA-N 432.572 4.709 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(C)s2)C1 1760549894 OJXZJEOOQWUQGA-LJQANCHMSA-N 444.988 4.710 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)c1cccs1 1760698332 GYPBSXOBGLVNIG-MRXNPFEDSA-N 427.549 4.631 30 10 IJEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C(C)C)N1CCCC1 1764230304 FQBIWCBAWBUTMH-JOCHJYFZSA-N 432.572 4.699 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C[C@H](C)O)cc1 1862385189 JPZIJQRZUPDILI-BUXKBTBVSA-N 434.319 4.515 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc(O)cc1)c1ccccc1Cl 1862430063 BFPLCUGPUUCRKV-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862476420 KUAFWWZHRCMJTO-HSZRJFAPSA-N 433.504 4.875 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2C(=O)O)cc1 1862478071 YGCKVKGFWKFPPK-HXUWFJFHSA-N 433.485 4.533 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2cccc(F)c2)cc1 1862617477 WNWQXVUZUTZIIU-QFIPXVFZSA-N 447.510 4.667 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1Cc1ccc(F)cc1 1862625610 KQKNLJVSDHIPJG-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccc(F)c2)cc1 1862626838 GTFHWCACCDPLSH-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C(=O)O 1862677636 FBCRGLMDYZJZDP-MMACOIQUSA-N 437.467 4.681 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862677918 MACHFUVNVNHBTG-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)cc1 1862937386 AMPODMSJMIFJSM-UHFFFAOYSA-N 429.426 4.795 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 1862955866 LKQPGTDECJBJQT-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCCN2CCCC2)C1=O 1863644543 KFHRTCZAFZKLBH-UHFFFAOYSA-N 443.607 4.732 30 10 IJEE C=CCNC1=C(c2ccc(OC)cc2OC)C(=O)N(CCCCCCCCCC)C1=O 1863753655 LETKELPMDXZAPE-UHFFFAOYSA-N 428.573 4.700 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCN(c4ccccc4)C(=O)C3)nc(-c3ccccc3)n2)cc1 1868376649 QBSFJQAMQQJBBK-UHFFFAOYSA-N 446.514 4.612 30 10 IJEE Cc1ccc2nc(-c3ccc(-n4nnc(C#N)c4NC(=O)c4ccccc4)cc3)sc2c1 1870157322 SZRFAEKJNPDSFW-UHFFFAOYSA-N 436.500 4.976 30 10 IJEE CN(Cc1ccccc1)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1 1870348766 LXSADNSBBKEJQJ-UHFFFAOYSA-N 449.554 4.979 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(O)cc2)c(CN(CCO)CCCC)cc1=O 1870416558 DEIBIDCXYQIVOY-UHFFFAOYSA-N 444.616 4.546 30 10 IJEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870810808 SPYLYOPVPGAFDD-UHFFFAOYSA-N 439.600 4.832 30 10 IJEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccc(N(C)C)cc1)O2 1871374769 CITNUDLWPACVOY-UUYOSTAYSA-N 444.443 4.805 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3C[C@H](C)O[C@@H](C)C3)C2=O)c2ccccc21 1871395317 NQAVKEZBOUZJBS-QBLLPBFBSA-N 432.520 4.592 30 10 IJEE CC(C)=C1Oc2cc(OCC(=O)Nc3ccc(Br)c(C)c3)cc(C)c2C1=O 1871424523 MIKIGFKQYHLIOW-UHFFFAOYSA-N 430.298 4.952 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871442052 XKSSAWKVBIZHRW-FMCGGJTJSA-N 431.419 4.662 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 1871940058 ADQNSCZCYLBSMI-AWEZNQCLSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)CC 1872165524 RWKKXJNOEUZJOF-JOCHJYFZSA-N 438.634 4.981 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)CC 1872229324 WGIAANXBZRYANX-JOCHJYFZSA-N 428.598 4.892 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872296824 WBCXNMOATIRVIR-FQEVSTJZSA-N 438.952 4.628 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872382158 XMFOWLNHJAQUSX-IIBYNOLFSA-N 436.524 4.585 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)c1cccs1 1872479174 QDECBKJFTYXOBM-JOCHJYFZSA-N 440.590 4.867 30 10 IJEE C=CCc1ccccc1OCc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1 1872859141 HMOVSWPXILAETK-UHFFFAOYSA-N 431.532 4.984 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 1872884175 BADYQWXCFUZYIM-UHFFFAOYSA-N 430.939 4.786 30 10 IJEE Cc1nc(SCc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)c(C#N)c(C)c1C 1872893226 NIBZDSCTHJHSFU-UHFFFAOYSA-N 445.544 4.830 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873666130 LLFXOXDHSWNRLN-IYBDPMFKSA-N 448.527 4.569 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCCO)n2/N=C/c2ccccc2Cl)c1 1874247653 OUJRPACKZZKYEF-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc[nH]2)cc1 1874290323 JSXIVCRFFDVPCN-AFUMVMLFSA-N 433.537 4.677 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccccc1C 1874436048 JJXZVZOFIHWANK-YSURURNPSA-N 448.379 4.704 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(F)cc1 1874466186 UXIGXUPZSUDGHN-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 1874697883 FLRBJEQHDIOKFW-IZZDOVSWSA-N 433.416 4.727 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(CCc3ccccc3C)nnc2s1 1874781286 ZGTMTSCPYNEXBF-UHFFFAOYSA-N 427.618 4.689 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(C#N)c1 1901534589 KWNXPSRLPAKGBH-XMMPIXPASA-N 443.478 4.953 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@]1(NC(=O)OC(C)(C)C)CCSC1)NCCC 1922119106 LYDMEKQFBZKGEX-QPPBQGQZSA-N 434.646 4.918 30 10 IJEE N#Cc1cc(CNCCCONC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 1937210872 YDFPWRKHXMOXDQ-UHFFFAOYSA-N 445.494 4.647 30 10 IJEE N#Cc1cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)ccc1F 1952789540 QBXZXTCNLIKTRX-ATIYNZHBSA-N 442.446 4.536 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959031396 RHWCEUDOVXAKQL-RDPSFJRHSA-N 439.487 4.918 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1962796431 JAYPNHCSSHHQAU-INIZCTEOSA-N 435.362 4.839 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2(CCC2)C1 2075898336 MCUBXYMRUMHJOV-DLBZAZTESA-N 448.568 4.853 30 10 IJEE Cc1ccc([C@H](n2nc(C(C)C)c(C#N)c2I)C2(C)CC2)c(O)c1 2079139422 WAXSFADGOLINQI-KRWDZBQOSA-N 435.309 4.886 30 10 IJEE CC(C)(C)OC(=O)c1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1[N+](=O)[O-] 2079208709 VLFYYVCCTVAUTK-UHFFFAOYSA-N 443.275 4.913 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(Br)c1F 2102883676 FXGBAGICDQBFFS-PBHICJAKSA-N 431.321 4.685 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1Br 2124495466 QNYOBRFHQSEHNT-ZDUSSCGKSA-N 437.256 4.876 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1Br)c1cccs1 2124722530 UJPIVHVMZBCTCH-HNNXBMFYSA-N 436.331 4.587 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@@](C)(C2CC2)C1 2174810576 NXCNFSLTXNJAIY-HXUWFJFHSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2cc(Br)ccc2C#N)CC1(C)C 2181111661 JIXZBJOFFIZDRA-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE N#Cc1cc(Br)ccc1CN1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186710464 DDXXQXQXCIAAEY-LJQANCHMSA-N 438.291 4.569 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCC(=O)Nc2ccc(C#N)cc2Br)C1 2203256011 SPHHUEKDVODHNJ-UKRRQHHQSA-N 436.350 4.733 30 10 IJEE N[C@H](C#Cc1ccc(Cl)cc1)c1cc(I)ccc1Br 2230994696 ZMHDJUPQTJNETQ-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2235735633 UKLAGVSGTUZFOH-RNQOJCNYSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@H](N)C#Cc3ccccc3Br)(CC1)CC2 2235750789 YSWLGFIBSDLDKQ-OSFYOIPJSA-N 433.390 4.746 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237398416 CIJKISVEMGZVRO-RTBURBONSA-N 437.422 4.913 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1 2249580377 VVOAJSOFXJOGJK-MRSFGVLCSA-N 427.545 4.886 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2255528213 YLQNXKYPHMYFGS-SFHVURJKSA-N 425.353 4.812 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2255860833 HVPDJCNZKOTSIK-UHFFFAOYSA-N 434.317 4.984 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@@H](N)CC#CC2CCCC2)CCN(Cc2ccccc2)CC1 2261103216 OUWGOOUOCKNYRW-DEOSSOPVSA-N 439.644 4.847 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCCC 2289529475 WWAQVRJDGFJGFK-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@@H](N)CC#CC1CCCC1 2289847573 JNVRVPTWNFFYRC-VQTJNVASSA-N 435.406 4.796 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCc2ccc(Br)cc21 2291628390 PSLKTGCHWZDQGQ-QFIPXVFZSA-N 431.326 4.855 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C12CCC(CC1)N(C(=O)OC(C)(C)C)C2 2296267408 SMOVVOTVZFHQJK-GSVIPDFHSA-N 433.390 4.568 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CC(F)(F)CNC(=O)OC(C)(C)C 2296273864 QWMGWXMXDWHIKF-QGZVFWFLSA-N 445.348 4.719 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1cccc(CNC(=O)OC(C)(C)C)c1 2296275905 BWKLXPBZVBYYKE-FQEVSTJZSA-N 429.358 4.786 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2296307941 AQABDNKTBDBBHV-FUMNGEBKSA-N 433.390 4.567 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2nccs2)cc1 2296552805 ZQEBLLGGILAWHY-HXUWFJFHSA-N 434.517 4.865 30 10 IJEE Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)c(F)c3)S2(=O)=O)cc1 2297334957 IDJUZESMBHOJCR-UHFFFAOYSA-N 436.508 4.929 30 10 IJEE O=C1C(=CNc2cccc(F)c2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 2297375467 NRNPNAFPAUTMCB-UHFFFAOYSA-N 442.899 4.965 30 10 IJEE COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccccc2OC)C4=O)cc1 2297591363 AHCBRKZRFLJYLK-LJQANCHMSA-N 428.440 4.761 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2306524075 TVGZGUCELCAUGY-OFVILXPXSA-N 430.589 4.801 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)cc1OC 2322884481 HEGSXSJQUZJMND-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2323231605 SPMVVOWXTPBGPK-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OCC(=O)N(CC)CC 2323647717 MDJWFXICFITHCJ-UHFFFAOYSA-N 437.536 4.576 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(C)c2)C3=O)c1 2325576290 AVFNGSJHLQYFGI-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCc4cccc(OC)c4)cc(C)c3C2=O)cc1 2325699812 JOJCQDHSMFFKEX-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2325728513 OCMAYDYWEIDCKM-UHFFFAOYSA-N 446.478 4.834 30 10 IJEE COc1ccc(C=Nn2c(COc3ccc(OC)cc3C(C)(C)C)nnc2SC)cc1 2325815347 MSUWEYWUBDXPQZ-UHFFFAOYSA-N 440.569 4.776 30 10 IJEE CC(C)c1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SCCO)cc1 2327695994 BGFROLIOWMUHGX-UHFFFAOYSA-N 430.961 4.601 30 10 IJEE Cc1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccc(O)cc2O)cc1 2329872669 PWLAMWFNBCHXSV-UHFFFAOYSA-N 446.532 4.751 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 2330645732 RRQSDCYNWCLTBG-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1C 2330863183 SVCZMNPYXOIORE-OAQYLSRUSA-N 445.309 4.747 30 10 IJEE Cc1cccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cc(Cl)ccc2O)c1 2330919481 CTKQJKLPOUNWCJ-LJQANCHMSA-N 428.945 4.972 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccn2C)cc1C 2331025565 PLJARBFQKCVXKM-UHFFFAOYSA-N 436.585 4.504 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2C(F)(F)F)ccc1OCc1ccc(C)cc1 2331105176 PEMMIUNBLAUORN-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2cccc(C)c2)cc(OC)c1O 2331440480 XZCRLXZPQOSDDR-UHFFFAOYSA-N 440.569 4.682 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(F)cc1F 2331726246 OJARHLSFRDRPPC-UHFFFAOYSA-N 441.507 4.609 30 10 IJEE N#Cc1cc(F)ccc1NCc1ccc(I)c(Br)c1 2349861565 ZXCPEDHYRPZYEM-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCCN[C@@H]1C(F)(F)F 2370237477 MCDSHZSXDUGLJT-YOEHRIQHSA-N 448.283 4.767 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(OC)ncc(Br)c1C 2370554960 IBYBMNONXFKVQM-RDJZCZTQSA-N 442.398 4.671 30 10 IJEE C#CCOc1cccc(NCc2ccc(I)c(Br)c2)c1 2377360725 SWTTXDGLSJUSEU-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(F)c(Cl)c2)NCc2cccs2)n1 14157218 ATRPNJYYMJNYIM-UHFFFAOYSA-N 448.980 4.902 30 10 IJEE Cc1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c(C#N)c1C 20570087 VQFOHYVDMBPGIR-UHFFFAOYSA-N 445.953 4.943 30 10 IJEE C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C 36301586 XPJGRHXRRLTYEJ-JOCHJYFZSA-N 435.568 4.653 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)cc(C)c3C2=O)c1 41289606 QMBASNSYORJGKV-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)n1ncc(C(=O)Nc3ccc(Cl)cc3)c1N2 64874133 GVAPGXYDMJSVHW-OAQYLSRUSA-N 434.883 4.516 30 10 IJEE CC(C)(C)OC(=O)NCC1CCN(c2nc3ccccc3n2Cc2ccc(C#N)cc2)CC1 95087882 ACOBBMRFNQITQA-UHFFFAOYSA-N 445.567 4.697 30 10 IJEE CCCCCCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Br)c1 101284701 GTTZXCSGWNVIQY-SFHVURJKSA-N 448.365 4.628 30 10 IJEE CCOc1cc(/C=N\[C@H]2CCS(=O)(=O)C2)ccc1OCc1ccc(Cl)c(Cl)c1 102387925 SRXFSYVSKXWKTR-FHLSJSRISA-N 442.364 4.577 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@H]3c3ccccn3)nc2c1 170000042 QJNZSAXRIOLWNJ-HXUWFJFHSA-N 444.878 4.703 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccc(C)o2)cc1 170101252 QMRBAVHUKVTHLA-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1 170102960 VZRKZEDRXQWZOE-JOCHJYFZSA-N 435.451 4.557 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccn1)c1c[nH]c2ccccc12 170173766 RGYXFRLOYKEVHL-NRFANRHFSA-N 429.863 4.999 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170193275 DZCWGRLFRAUEFU-IBGZPJMESA-N 440.286 4.562 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(O)c(Cl)c2)cc1 170220152 RSNYYYVEIDQPIS-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 170233336 PJLRTXSCJBJOOC-XMMPIXPASA-N 428.532 4.760 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1 170260662 QHRTUWYLPJOIGG-JOCHJYFZSA-N 433.460 4.551 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1C 170277700 XCZRLJNKLLDOSD-HSZRJFAPSA-N 432.520 4.661 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2CCOC(C)C)o1 170298809 CDUKDNHGCUPWAI-FQEVSTJZSA-N 443.883 4.991 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2sccc2C)c1 170312620 MYJYDPVBNBOKGI-GOSISDBHSA-N 425.531 4.905 30 10 IJEE COC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(C)c2)cc1 170343405 AOESNYACSWWXJU-QFIPXVFZSA-N 447.512 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCN[C@@H]2CCC[C@H](/N=C(/O)OC(C)(C)C)C2)C1 328580864 CTTXSJFALMKKLS-QRVBRYPASA-N 425.614 4.654 30 10 IJEE C=CCN(C[C@H](NCC)c1ccc(OC)c(Br)c1OC)C(=O)OC(C)(C)C 407572317 LHWCTVLJNXFMGP-HNNXBMFYSA-N 443.382 4.540 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(Sc2ccccc2C#N)cc1 441465181 KUUFRMPXMYOGGP-UHFFFAOYSA-N 430.455 4.734 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cc(O)nc3ccccc23)cc1 443690095 NNXHOXKJERUWDE-UHFFFAOYSA-N 440.478 4.863 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 446027281 DHPFVNGRUPTWLQ-UHFFFAOYSA-N 436.846 4.720 30 10 IJEE C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 479041731 FJCPNQHORCOFOO-YJYMSZOUSA-N 447.482 4.699 30 10 IJEE C=CCn1c(SCc2nc(O)c3c4c(sc3n2)CCC4)nnc1-c1cccs1 489446193 NOMXPBYGEYOPTO-UHFFFAOYSA-N 427.580 4.684 30 10 IJEE COc1cc(C(=O)N2CCC(C)(C#N)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 507827209 DZSQQQDJSSIIFB-UHFFFAOYSA-N 429.860 4.815 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508862037 CNGGJLKQBHJDQH-UHFFFAOYSA-N 434.515 4.590 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508914201 RUHAXMBQULYLHL-GPXNEJASSA-N 440.551 4.510 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(Cc2cnc(C)s2)CC1 508948003 BOPNWINHXCCCOS-UHFFFAOYSA-N 449.411 4.525 30 10 IJEE C=CCN(C(=O)c1cc2cc(Br)cc(C)c2o1)c1nc(C(=O)OCC)cs1 512783061 LWGLWFGLOIQGFI-UHFFFAOYSA-N 449.326 4.970 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C[C@@H](c2ccccc2)O1 549125805 URRNUKJEGYTNOW-NLFFAJNJSA-N 435.531 4.831 30 10 IJEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 549676610 CRKRGZYUWVQMIV-IBGZPJMESA-N 429.446 4.513 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 571583198 KKHUKZMFOMOJNC-OAQYLSRUSA-N 435.572 4.829 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)nn(Cc2ccccc2Cl)c1C 609097867 KRSKWEUCUDERCX-UHFFFAOYSA-N 438.915 4.938 30 10 IJEE COc1ccc(Oc2ccc(C#N)c(Br)c2)cc1I 712930336 NDKPPXUIYKZFOM-UHFFFAOYSA-N 430.039 4.726 30 10 IJEE C=C(COC(C)C)[C@@H](NCC)c1ccc(I)c(Br)c1 721551224 OILYWVCWLRYTLR-OAHLLOKOSA-N 438.147 4.686 30 10 IJEE C=CCC1([C@H](N)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 722904681 AMZSITJOBDZVBO-OAHLLOKOSA-N 429.786 4.786 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1OC 732969075 BXSUNIVZBPLNJM-OAQYLSRUSA-N 446.494 4.867 30 10 IJEE C=CCc1ccc(OC(=O)CCC[S@@](=O)c2ccc(Br)cc2)c(OC)c1 735207676 IKEREIQNGRNVOB-AREMUKBSSA-N 437.355 4.680 30 10 IJEE CCn1c(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)nc2cc(F)ccc21 744406886 PESHEIZUWOCUDK-UHFFFAOYSA-N 440.482 4.856 30 10 IJEE C[C@@H](OC(=O)CCc1cc2ccccc2nc1O)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 767789200 ORNDQWVTQQQDBB-MXJLDLDKSA-N 444.531 4.685 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C 778297379 IIVZMRAXCCRBLP-UGSOOPFHSA-N 448.489 4.638 30 10 IJEE N#CC1CCC(CNC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)CC1 799386129 QFGNGCRIJZHYIX-UHFFFAOYSA-N 425.573 4.700 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 800591756 CLIWFMDGNMQIIN-UHFFFAOYSA-N 431.517 4.619 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 800627390 JPNALRJHBKMLNE-UHFFFAOYSA-N 439.512 4.738 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 809926986 YJMVMCFMILJJIA-NTLWEQJWSA-N 433.383 4.729 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1ccsc1 812177580 JPBPSFZBOMETGH-HXUWFJFHSA-N 437.569 4.684 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2ccc(C)c([N+](=O)[O-])c2)cc1 917613187 MNWVMOSVLUMFTK-UHFFFAOYSA-O 445.524 4.948 30 10 IJEE C=CCCOCC(=O)Nc1sc(C(=O)Nc2ccc(C)cc2C)c(C)c1C(=O)OCC 1124110071 OQRSAQPEZCAWKV-UHFFFAOYSA-N 444.553 4.634 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CO[C@@H]4CCC[C@@H](C)C4)c3)cc2C1=O 1125502479 NYRLFTRNNZZERZ-DYESRHJHSA-N 432.520 4.816 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccccc3S[C@H](C)CC#N)nn2C)cc1OC 1126122631 CZOLAUZKFTWLPW-OAHLLOKOSA-N 436.537 4.751 30 10 IJEE C#CCN(C(=O)CCc1cccc(OC)c1F)[C@@H]1CCOc2ccc(Br)cc21 1126150599 AVIIKKSGCXYMMV-GOSISDBHSA-N 446.316 4.515 30 10 IJEE C#CCSc1ccc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 1128144960 IWLPHLXKMQEHOP-UHFFFAOYSA-N 434.483 4.786 30 10 IJEE Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)C[C@H](C)C[C@@H]4C)cc2n1 1129225922 GYOHGNNUXJKIDW-ZJUUUORDSA-N 433.459 4.928 30 10 IJEE C=CC[C@@]1(C(=O)NCc2nc(-c3ccccc3)cs2)CCCN1C(=O)OC(C)(C)C 1136298777 GSVOBWPVXCGVFK-QHCPKHFHSA-N 427.570 4.772 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1136937217 ACXFZSZMQPSOOJ-GOSISDBHSA-N 442.903 4.720 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl 1137416711 OKJZDFUOHPXODT-RPVQJOFSSA-N 445.387 4.781 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC3CCC(C)(c4ccccc4)CC3)ccc2c1=O 1150572041 VEVXSNXGOBNTKH-UHFFFAOYSA-N 433.577 4.502 30 10 IJEE N#Cc1cc(Br)ccc1OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 1165825950 CCZHJZSJHCSBCU-HXUWFJFHSA-N 445.313 4.806 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 1166815652 RCAGWCYJTFRZQG-XZOQPEGZSA-N 443.632 4.605 30 10 IJEE C=CCn1c(SCc2cn(C(C)(C)C)nn2)nc2scc(-c3ccccc3)c2c1=O 1188251900 BEUCIBYRLOBWHO-UHFFFAOYSA-N 437.594 4.950 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1192459204 GBSVARVKLWQYAG-FZMZJTMJSA-N 442.297 4.761 30 10 IJEE C=CCN(C)[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 1193607394 SYZICVMJUOKJEP-KKSFZXQISA-N 426.582 4.847 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C 1201297490 HPXOWSOWYKERKY-UHFFFAOYSA-N 428.504 4.588 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1214886396 ZXSZSMRXQFTEDU-IFMALSPDSA-N 445.922 4.916 30 10 IJEE Cn1cc([C@H]2N(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2(C)C)cn1 1215091308 AVPZDDMCCDRVSN-JOCHJYFZSA-N 433.487 4.625 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](OC(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1 1224641441 KHVSWBVKKJHSNP-QZTJIDSGSA-N 427.467 4.585 30 10 IJEE C#CCN(C(=O)NC[C@@H](CC)CC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1230172728 RRNTZNUGHPNWHM-XJKSGUPXSA-N 447.295 4.896 30 10 IJEE C#C[C@H](NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 1230477874 BEJKEKGGFIROCC-SANMLTNESA-N 429.539 4.844 30 10 IJEE CC(C)N1C(=O)C[C@@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 1264420578 FDWPRRTWABZEFJ-GKIWIXTESA-N 427.907 4.526 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 1277138550 XWEDQOQLLFMSCR-HRAATJIYSA-N 430.317 4.970 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286280753 BTZYBWKMMHOROB-KSZLIROESA-N 446.014 4.952 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc2ccccc2s1 1286425119 UTZPWJIOCAUKQW-UHFFFAOYSA-N 431.952 4.719 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1286527344 JEYXYBVACCGLHJ-DNRSQYFGSA-N 436.600 4.814 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C1CC1 1286532148 YCCPGSRLVCNKLS-UHFFFAOYSA-N 426.362 4.860 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1286537965 GZSXEBUCFXVNFJ-HZPDHXFCSA-N 436.423 4.668 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1286640153 GRWXQTTVTVYORW-QUCCMNQESA-N 429.996 4.991 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCC(C)CC2)CC1 1286671749 YSOHOZKVODFSPF-LZBANZJXSA-N 429.653 4.823 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C(C)C 1286686399 FKQWNUZOLHKZTL-NRFANRHFSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286694390 QJUSVDDAECDACC-MRXNPFEDSA-N 433.478 4.730 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1286710889 FRUBVEQCBQMLES-FQEVSTJZSA-N 434.588 4.596 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@H]1OC)C1CC1 1286732941 JXTJGQXYAARHSA-IFXJQAMLSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286747029 GQDSOOAUKYPMIB-RTBURBONSA-N 445.677 4.718 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H]1CCCSC1 1286748584 XBDCVLPVLQIPJK-GOSISDBHSA-N 425.577 4.759 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1Cc1cccc(Br)n1 1286752590 ALAPCRGESOXODV-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCc1ncc(CC)s1 1286754685 CYVLRMVSKPWKOC-UHFFFAOYSA-N 432.597 4.877 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccsc2)C1 1286800594 NMAUKENYDKJOTN-FPOVZHCZSA-N 438.597 4.926 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](C)Oc2ccc(Cl)cc2)C1 1286809787 VNGHXAKWFNGQAJ-UWJYYQICSA-N 430.980 4.838 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1)C(C)C 1289143225 WDTQDISUOFTVBD-UHFFFAOYSA-N 438.531 4.888 30 10 IJEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)s1 1290488764 HLJGDBQXTCFNSD-UHFFFAOYSA-N 438.601 4.956 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)COc1ccc2cc(Br)ccc2c1 1294180813 OLVHDCLYJWQHBB-UHFFFAOYSA-N 428.257 4.771 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(OC)C1 1300348671 MZKQOJFKNJIHHR-HOYKHHGWSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCc1cccs1 1300423962 BOMAYJZWZRSOJX-IBGZPJMESA-N 443.617 4.504 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCc1sccc1C 1300649391 VGZJCLCDIXMORS-OAQYLSRUSA-N 438.572 4.911 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H]1C 1300877546 WIKMGNLSBIRAFM-XQFWAAQXSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)C1CC1 1300904632 DDPGOEYQRRWFPZ-CQSZACIVSA-N 425.396 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(OC(F)(F)F)cc1 1300919064 TWETUKHDYRELQZ-UHFFFAOYSA-N 431.462 4.613 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCCN(C2CCCC2)CC1 1300931216 XDWLIKJXWUWRLA-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(OCC)CCCC2)CC1 1301112376 SUWNAUVMPCAENR-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CCC)C1)c1ccccc1 1301165224 FIILVFPKPWQDLO-UPVQGACJSA-N 431.584 4.629 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 1301169907 IUQVJYDOGDAJNQ-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1301189688 ZMYCXUBPAWEDPE-SFHVURJKSA-N 440.542 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCC(=O)N(C)C 1301371846 GXMNSOASZZSXDO-UHFFFAOYSA-N 444.004 4.860 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1301458855 GSTKOBFPVRTNDX-LJQANCHMSA-N 441.576 4.822 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CCC2)C1 1301542624 DFDNJTSCROJLMK-MRXNPFEDSA-N 449.368 4.818 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1301618402 RHDVWEJCIXGHLA-OAQYLSRUSA-N 428.646 4.766 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCS[C@@H](C)[C@@H]1C 1301621116 QZDSTZJEGRSWMB-ROUUACIJSA-N 432.659 4.669 30 10 IJEE CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N 1307565145 CSZBWDCUFSQEEE-UZUQRXQVSA-N 448.633 4.548 30 10 IJEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)CC(F)(F)F 1314847693 AZOYJAAHSTTXBP-IBGZPJMESA-N 448.537 4.573 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)cc1 1354566439 YNTXAUXSULWPAP-IBGZPJMESA-N 440.487 4.644 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)c1ccccc1 1357381512 NUTCXRDDPPBOEN-TYBLODHISA-N 434.580 4.692 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](OCCC)CC1 1358910657 XBHYJPMZTZFLRP-DEOSSOPVSA-N 446.599 4.720 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CC)C[C@@H]1CCCO1 1358920867 JLKRYZWDQTZFID-QHCPKHFHSA-N 431.584 4.771 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]2CCC[C@H]21 1358922728 OUOVMKOFMACQNP-OXQOHEQNSA-N 443.389 4.899 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)c1cccs1 1358941893 BELAQHIJTXOYDK-UHFFFAOYSA-N 429.387 4.816 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCS1 1359020865 SKPXUWSNHPJBTF-OAQYLSRUSA-N 426.630 4.614 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](CC(C)C)C1 1359049335 MUPWDSBWLVCPKO-RTBURBONSA-N 430.593 4.796 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCCCC2)CC1 1359145789 CYMARNZIHMUREQ-UHFFFAOYSA-N 438.378 4.945 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cc(C)nc(N2CCCC2)c1 1359275859 JAWITRWABDUGPU-UHFFFAOYSA-N 448.615 4.756 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1ncc(-c2ccccc2)[nH]1 1442316434 YYCSZFUFYUSGDR-MOPGFXCFSA-N 426.561 4.894 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](CC)c2ccccn2)nnc1-c1ccc(Cl)cc1 1450962319 LLDSNPBETYRNFB-KRWDZBQOSA-N 427.961 4.539 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2 1459979243 DWEZEIYOXGYYHH-UHFFFAOYSA-N 435.547 4.804 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@]2(c3ccccc3)CCCCC2=O)sc2ccc(C#N)cc12 1463697830 ICPGCJWZZDRSIZ-QHCPKHFHSA-N 438.574 4.741 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 1464304198 XMQVALJNXAEIRF-ROUUACIJSA-N 425.356 4.964 30 10 IJEE CN(C[C@@H]1CCCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)OC(C)(C)C 1465482558 CSICTLZYBCBFOY-QFIPXVFZSA-N 434.540 4.773 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC(C)(C)COc3ccc(C(F)(F)F)cn3)cc2n1 1467352460 BRWVKOGGEWSWHN-UHFFFAOYSA-N 433.434 4.615 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1ccccc1 1468551272 FGTBHIRGWSATKN-XMMPIXPASA-N 434.923 4.972 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1471074265 IOKWHZVATLDLPT-HSZRJFAPSA-N 437.584 4.910 30 10 IJEE Cc1nc(C)c(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)s1 1492654735 AOOKJLNNIBULEC-INIZCTEOSA-N 432.553 4.923 30 10 IJEE C[C@@H]1C[C@@H]1n1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(C#N)cc1 1493365064 DINSPLTTYFFWIG-DOMZBBRYSA-N 428.359 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1507521994 FBKISSLUAHFWDD-UFYCRDLUSA-N 433.600 4.906 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC(C)(C)OC[C@@H]1C 1507556790 PVVJTXXIHCDLPB-FQEVSTJZSA-N 448.567 4.924 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1507560942 PETIIDCVHSSNKX-PKTZIBPZSA-N 434.632 4.543 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccnc(OCC2CC2)c1 1507609439 WBJWRCPKRLJSST-UHFFFAOYSA-N 442.350 4.553 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](SC)C(C)(C)C 1507701428 GOTFMZJTZQDHRP-PZJWPPBQSA-N 444.620 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCC[C@@H]1C 1507761102 DMUVZVQBRRWVNZ-YADARESESA-N 426.008 4.855 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)[C@@H](C)C1 1507838785 XYKLUFYJCOSXEE-PMACEKPBSA-N 436.556 4.802 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1507938982 GVIQBICBZLEYOR-LJQANCHMSA-N 445.558 4.825 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1507944041 OFRSDAOUCJJADV-AZUAARDMSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507953794 MDQRAAVZEAJQPY-ZCNNSNEGSA-N 429.609 4.784 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1508050325 ASFJQDJYPLAQGE-ZWNOBZJWSA-N 433.247 4.667 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccc1Cl 1508060769 DXOPDWODHGHXTO-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(C)CCCS2)C1 1508113404 GBWMOKAVGJLEMI-PQNGQFLHSA-N 426.630 4.887 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)c2nccs2)C1 1508123630 JEGUEOXPPUDPNC-VQIMIIECSA-N 444.004 4.564 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCC(F)(F)F)cn1 1508897421 BXDYBSQXWDYPQR-UHFFFAOYSA-N 443.477 4.709 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@@H]2CCCC[C@H]2C)c1 1510723173 IEIFQTVVQWBMCR-KCZVDYSFSA-N 439.604 4.665 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)C[C@@H]1C 1512332272 GOIQRAFJGMQIRD-HOTGVXAUSA-N 441.988 4.974 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Sc4ccncc4)cc3)CC2=O)cc1Cl 1519992779 HWHCRBHJIWJKIP-INIZCTEOSA-N 448.935 4.749 30 10 IJEE C=CCN(C(=O)c1sc(-c2cccs2)nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1522168229 VPXWZWJGJVAUKJ-SFHVURJKSA-N 440.590 4.983 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3c(Br)cccc32)CCCN1C(=O)OC(C)(C)C 1526022456 BKGYVOVOQFCOOR-OAQYLSRUSA-N 435.362 4.684 30 10 IJEE C=CC[C@]1(C(=O)Nc2cnn(-c3ccccc3Cl)c2)CCCN1C(=O)OC(C)(C)C 1528842823 ZXMVBEZCKKCVTC-JOCHJYFZSA-N 430.936 4.810 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)c1 1529648276 XQZMDZBCXFHPRK-PZJWPPBQSA-N 439.577 4.790 30 10 IJEE CCOc1cn(-c2ccccc2)nc1C(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1533610909 GAYNWONQMLGGAR-UHFFFAOYSA-N 425.492 4.803 30 10 IJEE Cc1c(Br)cccc1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 1537475299 ICWAXRMIBPADGG-UHFFFAOYSA-N 439.309 4.774 30 10 IJEE N#Cc1ccc(SCC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)cc1 1538001515 HZTWWAWHJNCCNC-UHFFFAOYSA-N 445.382 4.621 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cc(Br)cc(I)c1C 1538891864 NXOSEVZNDJRYAG-ZDUSSCGKSA-N 448.142 4.933 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](F)c1ccc(Br)cc1 1538984243 DURDSVKYTOZPPV-DYVFJYSZSA-N 431.309 4.778 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccc(Cl)cc1 1539592436 DNANQWHDBKNQAZ-UHFFFAOYSA-N 446.780 4.889 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1539743740 QECCCJROFUUBOB-VQTJNVASSA-N 445.007 4.834 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1539749699 CSDCBMZISBWSSW-SPEDKVCISA-N 430.543 4.755 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC2CC2)CC1 1539785916 GLIRVHGZZDSEHG-UHFFFAOYSA-N 426.779 4.536 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1539959719 POYBDLMOBZZPQX-OAQYLSRUSA-N 431.588 4.505 30 10 IJEE CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1540347913 GHRZPELFYDUWKA-FQEVSTJZSA-N 434.879 4.916 30 10 IJEE C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 1540711894 HCUYTWFXFPUDKT-GOSISDBHSA-N 439.515 4.664 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC=C(c2ccccc2)C1 1540861123 CHBVMHXZWUJJEZ-NRFANRHFSA-N 435.572 4.830 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccco2)cc1 1540876853 DBBNICCDVGQORT-UHFFFAOYSA-N 435.915 4.836 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](SC)C1 1540880866 SDLMUAPFENOJIV-UNMCSNQZSA-N 442.629 4.855 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCCSC2)C1 1540884187 LUDWHDOOCODXHO-FCEUIQTBSA-N 426.630 4.745 30 10 IJEE C#CC[C@]1(C(=O)OCc2c(Cl)ccc(F)c2Cl)CCCN1C(=O)OC(C)(C)C 1544091141 SPPMLRFUZAYCFQ-HXUWFJFHSA-N 430.303 4.969 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CCN2CCCCC2)cc1 1544959640 QEADPSJEZBRFKA-FQEVSTJZSA-N 435.996 4.689 30 10 IJEE C=CCc1cc(C(=O)O[C@@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)cc(OC)c1OC 1544980127 HBPQMZQPYJIBQQ-IBGZPJMESA-N 438.398 4.679 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)OC 1545302421 CISDXOPQVLVSLW-DWLFOUALSA-N 439.604 4.662 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1csc(-c2ccco2)n1 1554162528 BRRDRHJRMNCZRY-UHFFFAOYSA-N 432.553 4.848 30 10 IJEE C=CCn1c(SCCCCOc2ccc(Br)cc2)nnc1-c1cnccn1 1559382288 BDOOHRIOMBESRO-UHFFFAOYSA-N 446.374 4.635 30 10 IJEE C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1C#N 1561394739 AFCGLEMYNIPKQU-MZNJEOGPSA-N 436.964 4.979 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCc3c(-c4ccccc4)cccc32)c1 1561450963 BTVQYFDTLUTKKS-UHFFFAOYSA-N 439.334 4.739 30 10 IJEE C=CCC[C@H](NC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C(F)(F)F)cc1 1564406367 DZLFPUGFHJGUOH-INIZCTEOSA-N 447.417 4.997 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1ccc(F)c(F)c1 1564597880 SFPLBFQVLPVWKV-NRFANRHFSA-N 430.886 4.639 30 10 IJEE C#Cc1cccc(CNC(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)c1 1564924011 ACJUJWROWYTQLV-QFIPXVFZSA-N 433.552 4.614 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1568062574 LNCQVXGHZIHQRD-UHFFFAOYSA-N 432.414 4.519 30 10 IJEE N#Cc1sc(NC(=O)c2csc(-c3ccc(Br)s3)n2)nc1Cl 1587235964 CMIYDBPZLYNTEQ-UHFFFAOYSA-N 431.749 4.868 30 10 IJEE C=C(C)C[C@@H](NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)C(=O)OC 1588127320 NMPBTRJCJHFRCJ-QGZVFWFLSA-N 446.334 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1oc2ccccc2c1C 1588258903 LXQAYWGECOLKHK-ZJSXRUAMSA-N 444.579 4.763 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)C2CCC(F)CC2)nnc1-c1ccc(Cl)cc1 1588277691 IGEMLLVKSWBUNZ-SYJJWHGVSA-N 436.984 4.910 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)C(F)(F)F 1589260117 YYVMNVYHJKEQIC-WHSLLNHNSA-N 426.527 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)[C@@H](C)C1CCC1 1589506179 SJWFVFPMNNDUAW-XJABCFGWSA-N 439.560 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCSC[C@@H]1C 1589506458 WLMHGEGBNZHKNF-DOXZYTNZSA-N 436.984 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CC(F)(F)Br 1589625745 OJXGPYMQSUKUOV-UHFFFAOYSA-N 436.304 4.883 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1593757669 LWPUSFGRJBGDBE-VQIMIIECSA-N 441.428 4.543 30 10 IJEE C=C(Cl)Cn1c(N2CCC(CC)(CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593932000 BXBOERUDUJPWPU-CALCHBBNSA-N 438.016 4.818 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cc(C(C)(C)C)no2)CC1 1594128802 WPESODPDWGOXRR-UHFFFAOYSA-N 435.572 4.910 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1594202629 SFROLIKNYAPTQQ-OPAMFIHVSA-N 447.421 4.907 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1594504022 DHFHPFPBKNBDRF-QGZVFWFLSA-N 430.597 4.553 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1594543620 CSHUUOLURQGFQU-GOTSBHOMSA-N 434.588 4.732 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1594600180 LCHWHWZETMLMGV-HXUWFJFHSA-N 440.592 4.532 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 1594626778 OWCULLALLKZAIO-XUZZJYLKSA-N 426.561 4.542 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1594720836 YAAKMLWFYUYYLC-DNVCBOLYSA-N 447.461 4.722 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 1594727271 NEXCHAZSEJBBKS-HNNXBMFYSA-N 425.396 4.946 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CCC)CC1)C1CC1 1595070833 OEMRJFHGLJJPJF-HDICACEKSA-N 429.609 4.784 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCCCC1)C(C)C 1595165481 IALRECHUIRBGGV-XMMPIXPASA-N 432.616 4.896 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC2(C)C)C1 1595699867 IJSAOWRBMLBGHZ-GOEBONIOSA-N 449.368 4.674 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21 1598316191 MNDYYVJPVITWKR-IEBWSBKVSA-N 426.561 4.834 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)c1ccccc1 1603516521 CGBOACHZNJHJCV-PMERELPUSA-N 428.554 4.607 30 10 IJEE Cc1ccc([C@@H]2NC(=S)N[C@H](c3ccc(C)cc3)[C@@]2(C#N)C(=O)c2ccccc2)cc1 1614015158 QOGWIFYVHNLSCM-MWZSMPGESA-N 425.557 4.956 30 10 IJEE CC#CC[C@@H](CO)NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1624786463 BINIEXIDVFARTO-INIZCTEOSA-N 437.487 4.526 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C 1626172491 SQKXHOXXWFYBAO-AWEZNQCLSA-N 441.366 4.988 30 10 IJEE C#Cc1cccc(N(CC)C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1627086336 VLDAXSYWQLWGQS-UHFFFAOYSA-N 438.527 4.950 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 1627924140 GBVYAXMSCFNSBI-IBGZPJMESA-N 427.501 4.954 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(F)cc1NC(=O)c1ccc(OC)cc1 1628074341 CKZFDAWMNNPVNL-UHFFFAOYSA-N 434.467 4.581 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(CCc4ccccc4)ccc3O)CC2)c(Cl)c1 1634228428 DQYBHZCYFQFVGO-UHFFFAOYSA-N 445.950 4.665 30 10 IJEE C=CC(C)(C)CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1635383233 JLIVRVOZYGWAEY-FQEVSTJZSA-N 425.367 4.517 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCOC1(C)C 1635827504 MXPLTNTXVBHAJZ-DNQXCXABSA-N 448.563 4.544 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl 1636305707 COAWZJHIWAXLHE-UHFFFAOYSA-N 434.920 4.991 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1 1637277120 GLXRSXMYSFUUFA-IBGZPJMESA-N 434.920 4.550 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 1638808551 UKZCRMOFROEOBK-UHFFFAOYSA-N 435.318 4.776 30 10 IJEE C#CCN(CC(=O)Nc1ccc(CN(CCC)Cc2ccccc2)cc1)C(=O)OC(C)(C)C 1640476584 BNDAZFXLWJPSAZ-UHFFFAOYSA-N 449.595 4.908 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCc1ccccc1C(=O)OC 1643491276 NEBDELRDTTWNIN-UHFFFAOYSA-N 443.956 4.818 30 10 IJEE C#CCN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)[C@@H]1CCCc2ccccc21 1645390447 ZSVUHRZKHVHDPA-XMMPIXPASA-N 430.935 4.703 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(OCc4ccccc4)cc3)n[nH]2)c1C 1647947529 KRESLFRWRLNUSD-UHFFFAOYSA-N 441.535 4.585 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 1649399215 CAVXGXARLCHESC-KURKYZTESA-N 444.601 4.802 30 10 IJEE C[C@@H](Sc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1sc2c(c1C#N)CCC2 1651818276 HKNVZUAQUDUNAA-SECBINFHSA-N 430.942 4.530 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccc(C)cc1 1651889483 NCMWZSZPUNIMJT-HXUWFJFHSA-N 425.529 4.845 30 10 IJEE C=CCn1c(SCc2cnn(CCF)c2)nc2scc(-c3ccccc3)c2c1=O 1652458629 MDDXKIGRUMGQJV-UHFFFAOYSA-N 426.542 4.769 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)C1(CO)CCCC1 1653814611 DSSZWRYQSQONKB-DVECYGJZSA-N 437.609 4.903 30 10 IJEE C=CCN(CCC#N)CC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 1654551380 STRPLPICCGDAIS-UHFFFAOYSA-N 427.552 4.805 30 10 IJEE CCCn1c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnc1-c1cccc(C)c1 1656096232 BMMMDPMJGHWXPY-OAQYLSRUSA-N 431.565 4.823 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1)c1ccccc1 1656680316 VWVGKTDFEOYTMB-IBGZPJMESA-N 441.471 4.868 30 10 IJEE N#Cc1cc(NC(=O)NCc2ccc(OC3CCCCC3)nc2)ccc1OC(F)(F)F 1670745464 ICVFBHMYSMVEKM-UHFFFAOYSA-N 434.418 4.885 30 10 IJEE CN(C[C@H]1CCCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)OC(C)(C)C 1672083438 DCBCLOLHSZFGSE-GOSISDBHSA-N 430.549 4.599 30 10 IJEE C[C@H](NC(=O)NCc1ccc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1 1680010232 IBOIJDKCPWLQRI-HNNXBMFYSA-N 435.325 4.943 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 1681369737 NNWMTTLAOFDKCV-ZDUSSCGKSA-N 425.298 4.522 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 1682560531 VFOXSDFWUDDCAR-YOSAUDMPSA-N 448.563 4.964 30 10 IJEE C#C[C@H](NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 1683680522 DQZAGSMINKKNHN-FQEVSTJZSA-N 443.316 4.567 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173393 HOGUNFFOGVJTFB-BEFAXECRSA-N 425.520 4.965 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@H](CSc2ccccc2)C1)c1ccc(Br)cc1 1686919544 HNZJKXZAJMZOJZ-JXFKEZNVSA-N 429.383 4.947 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@H]1OCCc2ccccc21 1687683878 DJYJHZNINIPVAR-OAQYLSRUSA-N 447.348 4.990 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1CCC(OC)CC1 1689948002 PSFIKPJIQGHCNM-PGYGNJIDSA-N 430.980 4.736 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC[C@@H]1CCCCO1 1690034865 UUFPIZULIOWPTR-DEOSSOPVSA-N 430.596 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCc1nc(C(F)(F)F)cs1 1690262966 VDDSRGGAZWVKNJ-UHFFFAOYSA-N 436.507 4.769 30 10 IJEE C=C(Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(Br)o1)c1ccccc1 1690326199 VSKMRGAOACTAIR-GOSISDBHSA-N 443.345 4.835 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1690338738 IFSQWUZVEMEAPP-UHFFFAOYSA-N 440.960 4.743 30 10 IJEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccc2C(F)(F)F)CC1 1690380390 MUDUCEIVJBAWIA-UHFFFAOYSA-N 444.505 4.558 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CC)C1)c1ccccc1 1690442190 OATXBKYRTTVPDV-UNMCSNQZSA-N 444.583 4.912 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690455820 OSBGDBAXEZXYOC-OAQYLSRUSA-N 440.979 4.749 30 10 IJEE C=CCCOCCn1c(N2CCC[C@](C)(OC)CC2)nnc1C1(c2ccccc2)CCC1 1690511994 JAMFGRBUMPNRLF-VWLOTQADSA-N 438.616 4.736 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(SCC)c1)C1CC1 1690548977 VNXGZJGJKWOQBT-UHFFFAOYSA-N 425.627 4.949 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ncc(CC)s1 1690607316 KAVJWYQWVGZRLZ-UHFFFAOYSA-N 434.569 4.544 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCC[C@H]1C 1692343304 AFHCVXISZLPUFW-JPYJTQIMSA-N 429.996 4.916 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2nc(C)c(C)s2)c2ccccc2n1 1692985269 FNPPABLNDOJJIM-HNNXBMFYSA-N 445.596 4.714 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1705510627 UVXVFLBKBIXDRI-HXUWFJFHSA-N 441.595 4.671 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1705768124 MFIXURPDQOICDI-RBUKOAKNSA-N 438.469 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1705794382 GRBXMPIPCMQOCA-QFIPXVFZSA-N 434.588 4.843 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N(C)Cc1nc(O)c2sccc2n1 1705807377 AMFHIBFBEJYATO-UHFFFAOYSA-N 448.596 4.880 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705838928 HUYFRXALSOSFRP-LJQANCHMSA-N 448.571 4.515 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1705847909 BDVPWBMHAHBATF-WIYYLYMNSA-N 449.393 4.590 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC=CO1 1705857524 GUQDEZOTBQXHDI-JOCHJYFZSA-N 436.581 4.824 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(CC)c1 1705865774 WBBRRKUDSAUPGC-UHFFFAOYSA-N 439.976 4.512 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1sccc1C 1705882172 NZRJHKDUFXEINS-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(C)[C@@H](C)CC)C1 1705919282 ALRLKXXIUCSPTO-REWPJTCUSA-N 439.648 4.754 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCSC2)C1 1705921244 OJUYLLZNELRROT-FUHWJXTLSA-N 449.020 4.532 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1706737425 FHFGFFMWTXZLAR-SBUREZEXSA-N 437.569 4.805 30 10 IJEE CCOC1CC(CCn2c(-c3cccc(Br)c3)nnc2N(C)C[C@H](C)C#N)C1 1710578459 BIOQKOHLENGSGS-MDCZIUGASA-N 446.393 4.509 30 10 IJEE COC[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1 1712130038 FBESSJWMDXQMMA-IAGOWNOFSA-N 427.618 4.544 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1722312651 HSXLZYXLSNGHHA-ISKFKSNPSA-N 431.584 4.691 30 10 IJEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1c1ccc(C)o1 1722322135 JRWPEEJLDDQVSD-FQEVSTJZSA-N 434.540 4.912 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(C)CCCO1 1722389362 RTZMNXJYOFASBC-VWLOTQADSA-N 448.567 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722496819 NSOQZLLBJRTAMM-UWJYYQICSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)=C(C)C1 1722500602 CIJYYHHXGNCXCE-WIOPSUGQSA-N 436.600 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)N1CCCCC1 1722511725 JWFZKZOJVHOFFL-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCN(C(C)(C)C)CC1 1722520200 XXHXOAZEBYPFRP-GOSISDBHSA-N 432.012 4.958 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](c2ccco2)C1 1722523404 RXCMBAYSGXBRHF-IBGZPJMESA-N 441.576 4.556 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722613128 UCWYKFDMSOBHEY-UHFFFAOYSA-N 442.567 4.744 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722620950 KRVHAZLASNOMBE-HXUWFJFHSA-N 448.615 4.848 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(-c2ccsc2)nc1 1722632040 FQKSHVDYVQQISS-UHFFFAOYSA-N 447.564 4.756 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1722654856 XJCDHBRPYBDBHJ-SFYKDHMMSA-N 440.588 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1CCOC1 1722661464 GRWPZDNRUHPUOF-KRWDZBQOSA-N 439.541 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1cccs1 1722662954 PJOMZZMBKVHGOS-JOCHJYFZSA-N 439.610 4.507 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1C[C@H]1CC(F)(F)CO1 1722663373 YWWOFBQPENCJIE-QGZVFWFLSA-N 430.524 4.932 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCc1csc(C)n1 1722664086 PMFXCEJDOSAJME-IBGZPJMESA-N 429.615 4.781 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCOC[C@H]1C 1722667725 IDADYPPPDYXIQK-IPMKNSEASA-N 426.630 4.982 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1727062584 GCGYLUXAYNAJHL-MRXNPFEDSA-N 437.617 4.886 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1740572823 XYOMWIJAVKRZJK-UHFFFAOYSA-N 442.611 4.887 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1740575776 VZBOGPAKOFGUAB-DEOSSOPVSA-N 447.652 4.835 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCN1CCCC 1740602712 ZNBWXDKVCAYLNO-NRFANRHFSA-N 430.600 4.526 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1740630583 KCZRRZITLJIULZ-INIZCTEOSA-N 442.947 4.588 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCCO1 1740712480 JRUHFNKHWMOKQV-OAQYLSRUSA-N 426.630 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc(C)c(C)s1 1740733497 GOPGBGYZRINJQZ-XMMPIXPASA-N 435.597 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNC(=O)C1CCC1 1740769892 YEZFDBGHYMSFLS-UHFFFAOYSA-N 437.632 4.951 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2ccc(C)cc2)CC1 1740836314 NVTPPOPNEGLGFD-LVXARBLLSA-N 438.616 4.833 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1740839110 AXMTWQYMGKJYQG-NRFANRHFSA-N 444.627 4.796 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCC(=O)NC1CCCCC1 1740919418 FPRZYKZWQXUOLZ-UHFFFAOYSA-N 427.568 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CC1(c2ccccc2)CCOCC1 1740933500 VLDYSHFPYZCMRZ-UHFFFAOYSA-N 434.609 4.857 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC(N3CCCCC3)CC2)cc1 1740966976 ZHAAFCKMCNFQDD-NRFANRHFSA-N 437.632 4.859 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC2CCOCC2)C1 1740976326 VPWOEJODORXGSG-NRFANRHFSA-N 430.980 4.587 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1742865925 FMIBDKSYBRXNMQ-VOIUYBSRSA-N 436.535 4.547 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC(C)C)nc1 1746266591 BYHGZXKMLVWIGA-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE COC(C)(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@](F)(C#N)C1 1748358406 GOJSMMFLEHMLQY-QFIPXVFZSA-N 443.523 4.680 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)(C)C 1748639542 JBEHWYBQSBXICT-ROUUACIJSA-N 432.996 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCSC1(C)C 1748657811 JRIQYYQLDUIPHS-IEBWSBKVSA-N 442.629 4.732 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1CC 1748684328 HEZLXRLSOMGFIP-RCCFBDPRSA-N 445.405 4.904 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCSC2)C1 1748727753 ULEGELVTEPITEZ-QHCPKHFHSA-N 442.654 4.716 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1748753288 CVBJWXYPWKXAKO-QFIPXVFZSA-N 436.991 4.591 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(OC)CCCC1 1748834877 XARHCOALSVWMKT-UHFFFAOYSA-N 448.567 4.845 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1cc(C)oc1C 1748940828 ROMFBCXARZMKTQ-CRICUBBOSA-N 438.547 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCCc1ccccc1 1749128020 QQRGIKQWGCAZAL-VWNXMTODSA-N 431.584 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(F)F)C1 1749134483 ZKOLZGSCWVYNMW-URVUXULASA-N 430.543 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)c1ccco1 1749147442 JCXJWQFWZIUMRZ-RUZDIDTESA-N 431.540 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(OC)C1CC1 1749170449 HFTYUSOUIAMRSV-YADARESESA-N 447.624 4.568 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1)c1ccccc1 1749242348 GVPLGUWUQIGPBN-NRFANRHFSA-N 447.583 4.693 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nc(C(C)C)cs2)CC1 1749311476 OQINMOUKCPVFEA-UHFFFAOYSA-N 427.549 4.781 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@](C)(O)CCC)CC1 1749312626 PXJDRPANVJOEPJ-RUZDIDTESA-N 426.605 4.996 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[C@@H]2C)CC1 1749331305 XISAOUDXIIZFEL-HKUYNNGSSA-N 440.588 4.810 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(SC)c1 1749538586 LMJWBGRYMRHSBX-NRFANRHFSA-N 435.597 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCCC1 1749553143 OSUGFJXZMFWWRX-ICSRJNTNSA-N 430.618 4.837 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1OCCC1(C)C 1749592322 HOIHBBIVRZHFBY-OAQYLSRUSA-N 444.645 4.729 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(OCC)CCCC1 1760101684 UUAFCRYVKFRAFS-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(Cc1ccco1)C(C)C 1760320392 UTMSHIGVVUFOIK-CVDCTZTESA-N 436.556 4.943 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760429911 UESRWOHDDNAQSC-FGZHOGPDSA-N 425.621 4.749 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1cccs1)N1CCCC1 1760493696 LEDHGWHVGVWXDI-VQTJNVASSA-N 427.618 4.597 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1760511457 IZSGGBNEGIFYNH-LJQANCHMSA-N 428.989 4.955 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](C)[C@H]1CC 1760515397 NATQQBNRPLDRHS-GOEBONIOSA-N 444.004 4.740 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760534060 QYTJKBUSNSIQJA-LEWJYISDSA-N 437.632 4.543 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760559462 HRHGIOWQCACNSF-ROUUACIJSA-N 449.615 4.872 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760566730 BLUFVHRXWYANMT-HXUWFJFHSA-N 432.584 4.968 30 10 IJEE C[C@H]1CCC[C@@](Cn2c(CC3CCCC3)nnc2N(CCC#N)CC2CC2)(N(C)C)C1 1762818730 GWWNPGFVSNYFPI-NBGIEHNGSA-N 426.653 4.651 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1762839355 FAUXSNNENAESNA-OFNKIYASSA-N 434.632 4.811 30 10 IJEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1770398563 CJAQNGMQYIKTPH-NZQKXSOJSA-N 437.588 4.535 30 10 IJEE N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)sc2c1CCCC2 1859478782 XUDJSLNJSIFURV-UHFFFAOYSA-N 441.512 4.547 30 10 IJEE O=C(/C=C/c1ccccc1C(F)(F)F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860725819 HUASGMSWMSVGMI-OUKQBFOZSA-N 449.384 4.702 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc(OCCCC)c(OCC)c1 1862253079 RXKANPSXYRRFEX-OAQYLSRUSA-N 430.589 4.753 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862415102 PFQMLSBOVRHWIM-NRFANRHFSA-N 426.463 4.552 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446099 LDBHNTVINQYQGY-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862451781 NGLRWBXCWICPPZ-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1862476209 FQHAYERIRUUWHL-XMMPIXPASA-N 443.499 4.536 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 1862489623 DWVBXANLHCVKDY-XMMPIXPASA-N 443.499 4.796 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(F)c1 1862525056 TWSTYBUBTOFMGT-SGTLLEGYSA-N 432.289 4.965 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(C(=O)O)cc1 1862546952 JLUGEIQBSGOXRT-IVZQSRNASA-N 433.504 4.640 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc2ccccc12 1862562161 ZCTCKRWHPVABBS-XMMPIXPASA-N 444.531 4.815 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 1862625295 CPJNMYYARACNQI-QHCPKHFHSA-N 449.503 4.812 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862663644 BKTPAHSWWJUIPR-ISKFKSNPSA-N 449.547 4.966 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862666919 OMVKAIRSJIRPSR-WAIKUNEKSA-N 435.520 4.958 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862676992 WBRZOIGNAZJSJA-FQEVSTJZSA-N 426.444 4.893 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1c[nH]c2ccccc12 1864557010 WDNDFHRSAKNTRW-NRFANRHFSA-N 449.599 4.635 30 10 IJEE COc1ccc(/C=C(/C(=O)N2CCn3c(C#N)ccc3[C@@H]2C)c2ccccc2)cc1OC 1866312128 JURQUMBORJVVNY-LUJYGJGBSA-N 427.504 4.521 30 10 IJEE CCCCCCCCNC(=O)c1cc(O)c2cc(I)cc(F)c2n1 1866530486 ZUYHSNNFJFNSKD-UHFFFAOYSA-N 444.288 4.774 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(C#N)c1 1867183610 DZMLRGVINAADHE-QRWLVFNGSA-N 429.973 4.582 30 10 IJEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871429347 PTKDSHGLBLAVEX-STZFKDTASA-N 439.464 4.878 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871433461 ANKPLIHTYDAOQZ-FMCGGJTJSA-N 449.890 4.660 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(O)cc4)cc(C)c3C2=O)cc1 1871443309 VODSOIXGVGPJPZ-QRVIBDJDSA-N 445.471 4.733 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1872113690 CRIVZJBNSACZIN-CYBMUJFWSA-N 446.878 4.563 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872291554 HKSUHNPCPLJZAC-GOSISDBHSA-N 434.989 4.859 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872555222 LXGQCFBVNBDRMQ-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CCCC 1872579721 SWNAQJLFCBMGSG-QFIPXVFZSA-N 437.650 4.566 30 10 IJEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 1872776763 WXDDHMUMDYLHOK-MDGVGCGJSA-N 438.480 4.865 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2C)=C(c2ccccc2Br)C1=O 1873253346 BBXXDVOJDNYNOY-UHFFFAOYSA-N 431.717 4.789 30 10 IJEE O=c1c(Br)c(N/N=C/c2cccs2)cnn1-c1ccc(Cl)c(Cl)c1 1873529271 UNVFSDCQCCXJAL-FBCYGCLPSA-N 444.141 4.809 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc2n1CC 1873570671 DBLCHZOIGOBEFR-BGYRXZFFSA-N 443.636 4.935 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccccc3Cl)c(=O)oc2c1C 1873902047 JNQNNKJNSPHGOV-UHFFFAOYSA-N 425.912 4.877 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cc(OC)ccc3OC)c(=O)oc2c1 1873931866 ZFCQAPQHOSNUCY-UHFFFAOYSA-N 437.492 4.645 30 10 IJEE CCc1ccc(/C=N/n2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCCO)cc1 1874218605 ULVLJGVSQSJNAA-ZMOGYAJESA-N 444.988 4.656 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc(F)cc1F 1874305868 SYDAFUUHUPVDKS-DHRITJCHSA-N 428.508 4.901 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874331654 XLQKLAKLJLEXCQ-PCLIKHOPSA-N 434.565 4.612 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCC(=O)OCC(C)C)cc1 1874479832 UIGOEXMRIFGQHP-BUVRLJJBSA-N 446.617 4.973 30 10 IJEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874530908 HJIBVUPJHRCROR-HYARGMPZSA-N 425.514 4.848 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C)n1/N=C/c1ccc(Cl)cc1Cl 1874532847 DYPURAFUBSZVRZ-SRZZPIQSSA-N 428.389 4.516 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC(=O)COC 1875194310 PLQBRMNMLXTTDW-VQHVLOKHSA-N 430.884 4.534 30 10 IJEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCc3ccc(O)cc3)ncnc21 1875231688 ZBUMSMALKWMNKF-UHFFFAOYSA-N 435.572 4.977 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 1903072002 GJSOVRDQTOIPSN-UXHICEINSA-N 435.501 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)[C@H]2C[C@@H]21 2008450000 WWHHHJZJCDAXTO-FMKFIRIRSA-N 431.508 4.859 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048640856 RWQUEYSYGAERTM-DLBZAZTESA-N 429.786 4.587 30 10 IJEE CCc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2078983368 YLAVGOZBWYDYKO-PZEXIZOFSA-N 445.251 4.795 30 10 IJEE Cc1ccc([C@@H](n2nc(C(F)F)c(C#N)c2I)C2(C)CC2)cc1 2079051677 JLFRPDGPDDZRAT-CQSZACIVSA-N 427.236 4.995 30 10 IJEE Cc1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1I 2079171354 QWRGCNLXUJCCAJ-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE Cc1cc(F)c([C@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c(Br)c1 2116785811 BRELTABDCVBZPX-BBRMVZONSA-N 427.314 4.877 30 10 IJEE Cc1cccc(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c1NC(=O)OC(C)(C)C 2124534821 JVECBDJIIQDGQG-IRXDYDNUSA-N 442.365 4.506 30 10 IJEE N#Cc1cc(Br)cc(N[C@@H]2CN(Cc3ccccc3)C3(CCOCC3)C2)c1 2156311503 COTRVKRJJYBLMV-NRFANRHFSA-N 426.358 4.556 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181052622 GKTSLRZPJRXDPE-KGLIPLIRSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181053869 QCMAXVORVGNJKJ-CABCVRRESA-N 436.350 4.590 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190480014 XZMZQHLXQGKOKP-ZCLKUGBOSA-N 447.428 4.802 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2OC)NCC)C1 2197749279 QQIXYNIZCNXOEE-SFHVURJKSA-N 439.394 4.592 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2c(F)ccc(Br)c2F)CC1 2201813431 HFRQIALVHBKUPS-UHFFFAOYSA-N 428.126 4.881 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2232306498 MRSUDYAGUPMWRI-INIZCTEOSA-N 439.365 4.710 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CCC 2232458466 LBTBAJKHRXVNFT-CRAIPNDOSA-N 443.430 4.956 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CCNC(=O)OC(C)(C)C)C(C)C 2235716717 GZHIEZXJIREGQE-ICSRJNTNSA-N 437.422 4.966 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1ccccc1B1OC(C)(C)C(C)(C)O1 2260375287 NZSKBRUQOXWBDA-XLIONFOSSA-N 447.450 4.865 30 10 IJEE CC1(C)OB(c2ccnc(Oc3cc(F)c(Cl)cc3Br)c2)OC1(C)C 2265997331 FHAJYNAXLGJHHY-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C[C@@H]1C[C@](C#N)([C@](C)(O)c2cc(Br)c(Br)s2)CCS1 2266453328 FYGVDAVWRHKFJO-BZHVJNSISA-N 425.211 4.906 30 10 IJEE COc1cc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2267118956 PQNRFFPVUPAVKY-SHTZXODSSA-N 446.353 4.853 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3CCN(Cc4ccccc4)CC34CCC4)CCC2)OC1(C)C 2267459277 BKUDJOAVQRHRAC-OAQYLSRUSA-N 438.421 4.564 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)o1 2296073510 LSSLWGZZRFZJLO-IBGZPJMESA-N 434.448 4.963 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](O)C#Cc3cccc(Br)c3)CCCC[C@H]12 2296231637 GMOXIEMBSWBGGI-NNMXDRDESA-N 434.374 4.731 30 10 IJEE CC1(C)C[C@](C#Cc2cccc(Br)c2)(OCCN)[C@@H]1OCc1ccccc1 2296271784 HEUMZVVGVGKNBJ-GGAORHGYSA-N 428.370 4.530 30 10 IJEE C[C@H](C[C@H](N)C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296282096 SFOIGMBMNFMGPB-YVWKXTFCSA-N 435.406 4.801 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2296286932 QDGNCXAFLXDGLT-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296290901 IRPWTFSVZLCEIC-OALUTQOASA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2296293816 NJWPYFORFBCLAD-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2296294075 PPDDGJVEDQLYFD-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)c1ccccc1 2296311354 WFQJFMAQWNHTOT-LJQANCHMSA-N 429.358 4.830 30 10 IJEE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S 2296700134 AIGBOKDFGIBLQA-UHFFFAOYSA-N 448.529 4.835 30 10 IJEE Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(=CC(=O)c2ccc(Cl)cc2)N3)cc1 2297341531 GDLDLFNOZFPMNO-UHFFFAOYSA-N 445.906 4.709 30 10 IJEE CCCN1C(=O)C(=Cc2ccc(O[C@H](CC)C(=O)O)cc2)SC1=Nc1nc(C)cs1 2314930334 BEUUYFMVMLAZLZ-MRXNPFEDSA-N 445.566 4.708 30 10 IJEE COc1nc(N(Cc2ccccc2)Cc2cccs2)ccc1B1OC(C)(C)C(C)(C)O1 2317503516 OKCBXQZMQWBRLW-UHFFFAOYSA-N 436.386 4.658 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1cccc(Cl)c1 2320940788 DBWQPNXIAXBSKQ-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE O=C(Oc1cccc(C=Nn2c(S)nnc2Cc2ccc(Cl)cc2)c1)c1ccco1 2322035067 PYJVSGVDNLZILF-UHFFFAOYSA-N 438.896 4.505 30 10 IJEE COc1ccccc1OCc1nnc(S)n1N=Cc1ccc(OCc2ccccc2)cc1 2322104224 QNJGXIDDYYIRNX-UHFFFAOYSA-N 446.532 4.616 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 2322234454 WCNBZOMEWQEOET-IBGZPJMESA-N 437.879 4.743 30 10 IJEE Fc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc(Cl)cc1Cl 2322286609 STSNRYCQOXAKHM-UHFFFAOYSA-N 425.316 4.907 30 10 IJEE COc1ccc(CCN2COc3c(cc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)C2)cc1 2322290865 ZNRVKVSCMQHINV-UHFFFAOYSA-N 431.488 4.916 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)c1OC 2322948485 KZIRKRVPSNPSDZ-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)Nc1ccccc1 2323896848 GBORBYFRTNVKEU-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2324464961 DCZGDRVPWOGANG-INIZCTEOSA-N 426.444 4.995 30 10 IJEE C=CCN(Cc1ccccc1)C1(C(=O)O)CC2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1 2326274419 NDVFJEFVDQATMP-JGSRLKPESA-N 440.584 4.840 30 10 IJEE CSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(Br)cc1 2327046212 DCZRBOCCYLAHHZ-UHFFFAOYSA-N 445.386 4.965 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1C(=O)O 2327288871 CJLLKLLFAOOXNQ-UHFFFAOYSA-N 436.537 4.641 30 10 IJEE CCC(=NOCc1ccc(Br)cc1F)c1ccc2c(c1)N(CC)C(=O)CO2 2330275666 RJQYKSMFIYWIJM-UHFFFAOYSA-N 435.293 4.664 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2330467989 JOITVJDDOALUFQ-VWLOTQADSA-N 446.591 4.631 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(=O)c1ccncc1 2331017294 WHKAKVZTMPOXLU-UHFFFAOYSA-N 438.823 4.767 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(=O)C(C)C 2331037217 XVAGGYVAAPIHQD-UHFFFAOYSA-N 448.269 4.823 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 2331150400 ZQUMFKJIBOTGEU-LJQANCHMSA-N 445.855 4.627 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)cc1[N+](=O)[O-] 2331577671 XFIXSIWCFSWEEN-UHFFFAOYSA-N 441.480 4.873 30 10 IJEE CCCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(C(C)C)cc1 2331665139 TXINBJACRBWNEY-UHFFFAOYSA-N 435.597 4.645 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccccc2OC(C)C)cc1 2331733804 OILDKRFWAOLGPZ-UHFFFAOYSA-N 449.580 4.864 30 10 IJEE CC(C)(C)OC(=O)NCCC1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339597284 WEBPEYOSQKXBMV-UHFFFAOYSA-N 444.381 4.943 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](C)(B3OC(C)(C)C(C)(C)O3)C2)c(F)c1 2342475207 OZZFFKJWBAAMAV-HSZRJFAPSA-N 448.344 4.871 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H](CN(c3ccc(C#N)c(Br)c3)C1)C2 2357628834 OXJNTNWGIPJFSV-YCRPNKLZSA-N 434.378 4.842 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2358672116 SGPLNINHMFZMLG-LXZJYRNTSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC(Nc3ccc(C#N)c(Br)c3F)C[C@H](C2)C1 2365563322 SELPNJGMHHOAEQ-STQMWFEESA-N 438.341 4.907 30 10 IJEE CCc1ccccc1NC(=S)/N=C(/NCc1ccccc1OC)Nc1nc(C)cc(C)n1 14156205 XWYLZUUIKOSAPD-UHFFFAOYSA-N 448.596 4.619 30 10 IJEE COCCN1C(=O)c2ccccc2Sc2cc(NC(=O)c3ccc(C#N)cc3)ccc21 21355312 PRCVTQAUQNFOGF-UHFFFAOYSA-N 429.501 4.568 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCCN(CC)CC)cc1 35444754 PMPSTECTPFCEPZ-MJFUUYGPSA-N 446.591 4.959 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 62889305 IPAPPYOYLMPPDN-UHFFFAOYSA-N 447.520 4.742 30 10 IJEE CCCCCCOc1ccc(OCCOc2ccc(/C=N/c3nnc[nH]3)cc2OC)cc1 100173833 HTKMQAQIHMFAFO-KOEQRZSOSA-N 438.528 4.981 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Cl)c2)cc1 102904197 JBSLRUBJWYHTCM-LYHOESIGSA-N 440.908 4.822 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OC(=O)c3cccs3)ccc2C1=O 103018192 KKTPBNXPPLOFFQ-KEBDBYFISA-N 438.457 4.609 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2cccc(F)c2)/C1=C(O)\C=C\c1ccccc1 103107683 VUAKDQORFMJGKF-DOZSIHAESA-N 443.430 4.706 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccc(OC)cc2OC)C1=O 103170128 NFTSWEXTUICHNJ-UNOMPAQXSA-N 425.506 4.556 30 10 IJEE COc1c(Br)cc(/C=N\Nc2nc3cc(C)ccc3[nH]2)cc1Br 169893488 GFHQNBMZSNJQNN-UWVJOHFNSA-N 438.123 4.851 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2-c2ccccc2)ccc1OCc1ccccc1F 169912066 JAVCYFWLNFTWBB-QFEZKATASA-N 434.496 4.843 30 10 IJEE CCN1C(=S)N[C@@H](c2cc(Br)ccc2OC)C(C(=O)c2ccccc2)=C1C 169932086 MTMOWJAAWOBAQX-IBGZPJMESA-N 445.382 4.866 30 10 IJEE COc1cccc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)c1OCc1c(F)cccc1Cl 169937084 HTUDGBFMCLTRLU-HXUWFJFHSA-N 448.947 4.791 30 10 IJEE CCOC(=O)c1sc(N/N=C\c2cccc(OC)c2OCc2cccc(C)c2)nc1C 169941503 DPTKGMVTOQOASW-CFRMEGHHSA-N 439.537 4.970 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(O)cc2)c(C)c1 169963084 KDFIYNWWVKSIFL-HSZRJFAPSA-N 443.455 4.521 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1ccc(C)o1 170100012 BIXZEVIOGQOXBJ-HSZRJFAPSA-N 446.503 4.754 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 170129805 NWSNCKMZFDYHMP-HSZRJFAPSA-N 434.536 4.591 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccccc1OC(C)C 170151389 ACXPLOBBQNQEQG-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)cc1 170183195 GDQDQUMWNIKCDH-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)c1 170224517 XRUQMAWRNORDBB-HSZRJFAPSA-N 429.472 4.964 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1C 170258325 QWQHFHQYDUDSLM-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccccc3C)oc12 170273862 BXLRWLFGGSIQPS-HTAPYJJXSA-N 447.487 4.507 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)o1 170298719 FZSAPBHMPROGBD-QFIPXVFZSA-N 441.524 4.626 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC(C)C)o1 170310504 SIFJKOCBXQRIHN-QHCPKHFHSA-N 437.536 4.860 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1sccc1C 170317896 HTNPFIHMIKRHKE-HXUWFJFHSA-N 443.565 4.767 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC)c1 170323942 IBYDECNIXCVLOS-DEOSSOPVSA-N 443.499 4.629 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 170445379 WDJLVRXLPHPIKL-HSZRJFAPSA-N 446.503 4.916 30 10 IJEE C=CC[C@@H]1C=C(C)C[C@@H](CC=C)N1C(=O)CCc1nnc(CCc2ccccc2OC)o1 207835611 UXZUCPWSJQPMPJ-FGZHOGPDSA-N 435.568 4.864 30 10 IJEE CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@H]1C=NN(C)[C@H]1C 251376948 RERQDWLOTGXDHK-RPPIVITFSA-N 436.600 4.973 30 10 IJEE CN1CCC[C@H](C/N=C(/N)N[C@H]2CCOc3ccccc32)[C@H]1c1ccc(C(F)(F)F)cc1 304754451 LWSVIXWZYVPUSD-PIPMEXSNSA-N 446.517 4.516 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 460561805 GLNVYBPBPKDGQF-GPJHCHHRSA-N 436.600 4.883 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1C 477841394 GSLONIOAGAGLKJ-MZNJEOGPSA-N 425.488 4.647 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3cccc(Br)c3)n2)cc1 505750663 MCYUYZJYHYWUPZ-INIZCTEOSA-N 428.311 4.827 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)c1OC 526490029 CYIWOMPKQGZGNC-NRFANRHFSA-N 447.878 4.681 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)Cc3ccc(Cl)cc3Cl)c2C#N)C1 586346979 JMQOFIWSTMTALK-DQQVXTMASA-N 441.405 4.939 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(I)ccc1Br 692277934 XPOJDSAEJVPXDD-XHDPSFHLSA-N 448.142 4.918 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)[C@@H]2CCCN[C@H]2C1(C)C 693777248 XJTNCIMJSAQQKD-CBGDNZLLSA-N 434.378 4.861 30 10 IJEE COc1cc(Br)c([C@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C)cc1OC 698827840 NHWGWCDSSRJURG-HNNXBMFYSA-N 427.339 4.924 30 10 IJEE Cc1cc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2cc(O)ccc2C)c(C)[nH]1 726571348 UPMSKHSFYJOFTR-UHFFFAOYSA-O 439.948 4.781 30 10 IJEE O=C(/C=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(C(F)(F)F)nc1O 731562685 GBIRCOQBUWCPGY-XVNBXDOJSA-N 427.304 4.907 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(C(F)(F)F)c1 733197728 RIINJEYLHBVLFX-SFHVURJKSA-N 445.466 4.689 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)CCNC(=O)c3ccc4ccccc4c3)c2)s1 739597680 BYNCRMRJERCQPZ-UHFFFAOYSA-N 439.540 4.876 30 10 IJEE Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c(Cl)c1 744841545 YTNRRBGFFBVULU-HRAATJIYSA-N 428.916 4.802 30 10 IJEE N#Cc1cccc(CC(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 749310086 GFAZQIPSWFLMAC-UHFFFAOYSA-N 435.823 4.520 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2CCn3c(cc4cc(Cl)ccc43)C2)c1=S 754855061 UUSXSVSPXXDHNX-UHFFFAOYSA-N 436.972 4.743 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2cc(-c3c(OC)ccc4ccccc34)no2)cc1 778259916 DPOWDWBJRSRVQB-UHFFFAOYSA-N 427.460 4.837 30 10 IJEE C=CCOCCNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 780255027 LLESIFLPFLSNCW-UHFFFAOYSA-N 443.619 4.888 30 10 IJEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CSc2ccccc2)cc1 787054785 XILKYHUHZZFKNR-QFIPXVFZSA-N 445.500 4.526 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1)c1ccc(Cl)cc1 810470379 FQIOYHHCWAWTFD-SFHVURJKSA-N 441.965 4.685 30 10 IJEE C#Cc1cncc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCCC3)c1 1124671500 UKFHANJYEBMSBJ-UHFFFAOYSA-N 431.517 4.516 30 10 IJEE C=CCN(C(=O)c1cc(C)ccc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1128110731 DVBBXQWZKFHEID-FQEVSTJZSA-N 430.342 4.560 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2ccc(-n3cc(-c4ccc(Cl)cc4)cn3)cc2)n1 1128673510 YAEARALIIXMJDC-UHFFFAOYSA-N 443.938 4.685 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 1128693114 JVZVKTSNKRTJQF-AZUAARDMSA-N 427.426 4.742 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1c(C)c(C#N)nn1-c1ccccc1 1129392358 BIJGSFIVFBCZMB-UHFFFAOYSA-N 431.496 4.960 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C 1135487383 ZCACDBVUJYVFMQ-UHFFFAOYSA-N 437.993 4.902 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1136408669 WLTJQLOXZCNZMO-GHTZIAJQSA-N 441.572 4.523 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 1136915485 GALNPBVEOPMBAF-WXFUMESZSA-N 445.563 4.819 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 1146875627 CWUHWQAKZLQUBU-UGKGYDQZSA-N 429.605 4.578 30 10 IJEE C=CCn1c(SCc2csc(C(=O)OC)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164428122 CAZSYJXFMNWKEA-GFCCVEGCSA-N 446.619 4.909 30 10 IJEE C[C@H]1CN(c2ccccc2F)CCN1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1169927309 DUOAQXBEUKUARR-IRXDYDNUSA-N 440.588 4.565 30 10 IJEE C#CCN(CC(=O)N1CCC[C@H]1Cc1cccc(Oc2ccccc2)c1)C(=O)OC(C)(C)C 1174685412 AKJPVZBVCBHNIJ-QFIPXVFZSA-N 448.563 4.883 30 10 IJEE C#CCN(C(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)[C@@H]1CCCc2ccccc21 1178953137 AHQSFJILBBQPFM-OXQOHEQNSA-N 439.581 4.882 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1190706847 CDZZNUYBAAMMGL-UHFFFAOYSA-N 442.563 4.644 30 10 IJEE C=CCN(C(=O)CN(CC)C[C@@H](C)OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1194551372 GKYQALFSGQZSKM-CQSZACIVSA-N 442.412 4.993 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCN(c4cccc(F)c4)C3)cc2)nc1 1214965171 HECJKEATKXVRLO-FQEVSTJZSA-N 431.471 4.675 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C)c1ccc(Cl)cc1F 1221596421 OKIZFPCEVQTUDY-YEJXKQKISA-N 428.870 4.847 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC([C@H](O)c2cccc(OC)c2)CC1)c1ccc(F)c(F)c1 1226658405 BRHTUPZUQQZXKF-GOTSBHOMSA-N 430.495 4.746 30 10 IJEE C#CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)C1CCCCC1 1264868382 IGZQJUSYRNWNSU-LJQANCHMSA-N 433.980 4.794 30 10 IJEE Cc1ccc(C(=O)c2c(NC(=O)c3ccc(C#N)cc3F)sc3c2CCN(C)C3)cc1 1268908455 BFWYTYGFEHVXOS-UHFFFAOYSA-N 433.508 4.539 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)Cc1cccs1 1286274524 MYVVAOXLWCVENM-ROUUACIJSA-N 430.581 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1286279114 STEVOWNTYAYJEJ-ZBFHGGJFSA-N 433.503 4.802 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2CCC[C@@H]21 1286316548 WGIFBRBQWZEKCV-UZLBHIALSA-N 443.389 4.899 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(N(CC)CC)CC1 1286316633 DLYUMDZJVRZRFF-UHFFFAOYSA-N 444.023 4.721 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 1286318662 VRRDDNXUOGXXSB-WOJBJXKFSA-N 445.007 4.965 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@H]1C(=C)C 1286423404 LGNIMHAIVUYTMA-UWJYYQICSA-N 443.378 4.696 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[C@@H]2CCCCO2)CC1 1286636616 FBZFDPKAYWJSMF-QFIPXVFZSA-N 437.588 4.653 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCOCCCC)CC1 1286641306 VZNPXTTWPKBRSJ-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1286661515 GGLIHZBOHHGEOJ-JOCHJYFZSA-N 439.007 4.642 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2nc(C(C)(C)C)cs2)CC1 1286663110 GRYYKLKGLDLDDK-GOSISDBHSA-N 429.634 4.919 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C=C)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1286681668 QMEFHPDKQWIIKR-OZXSUGGESA-N 436.600 4.693 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CC(=O)Nc1ccc(F)cc1 1286749548 VVJGBLSICODJFF-UHFFFAOYSA-N 439.560 4.968 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC[C@H](F)C2)C1 1286801876 JOTOJOVSYVGVEA-AYOQOUSVSA-N 449.368 4.627 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCCCC2)CC1 1286826341 FAGVQFMUQMYVJG-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286833001 SLJLWTSNUJMQGJ-FQEVSTJZSA-N 434.556 4.711 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccs2)C1 1287230357 DNNOTPLJMKPEDK-HXUWFJFHSA-N 435.597 4.905 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1cccs1 1295636296 IDIWKDOTRDDZNJ-QHCPKHFHSA-N 449.605 4.874 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCCCC1 1300283590 NOYSNUGNEAHMKC-LJQANCHMSA-N 425.646 4.609 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@H](SC)C1 1300746404 RUVRUYCZJQPMRC-INIZCTEOSA-N 439.025 4.826 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccsc1 1300769746 KAXPEPIEQXGDGS-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)OC1CCCC1 1300858769 UOJFCZHGRYFDJK-UHFFFAOYSA-N 435.366 4.693 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1301112255 ONQOPGHIYVVFLP-QZTJIDSGSA-N 440.588 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(C)c2)CC1 1301149982 KKNDYILJWRTHGW-UHFFFAOYSA-N 430.600 4.886 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1301164460 UHYPXPVQRFNXKL-JTHBVZDNSA-N 437.632 4.750 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1301212291 UPDWEBWMDODYGD-FQEVSTJZSA-N 446.599 4.592 30 10 IJEE C=CCCOCCn1c(N2CCS[C@@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1301262435 SZONJYJJJQBLCY-NRFANRHFSA-N 426.630 4.673 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1301603885 IHPNBGWKGBGFNO-JOCHJYFZSA-N 446.624 4.534 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1cnc(C)s1 1301605833 ARZDZTLTEPTRJT-UHFFFAOYSA-N 438.626 4.757 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 1306951323 CZPISUNJAGWEOW-HXUWFJFHSA-N 427.335 4.899 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1)C(=O)OC 1307253262 SPJMCRYXWRBBPC-GOSISDBHSA-N 429.929 4.806 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnc1-c1cccc(Cl)c1 1307321797 NHPVWZXLDOSGAS-HXUWFJFHSA-N 449.967 4.944 30 10 IJEE C=CCCn1cc(CN[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)nn1 1308349507 MCRBEXMNMPFDBZ-NRFANRHFSA-N 434.437 4.922 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)CC1(C)CCN(C(=O)OCC)CC1 1308562940 SGXJXQWMOPVAHN-UHFFFAOYSA-N 427.358 4.835 30 10 IJEE C=C(C)[C@H](NC(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1312537548 UIOBHGOLBYNXKN-DWVUQKNYSA-N 435.515 4.813 30 10 IJEE CCO[C@@H](CCn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1)C1CCCC1 1314066474 GIILSDNBGAKACZ-QHCPKHFHSA-N 439.579 4.733 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ccc(Br)cc1 1351585456 FVMUTMUJGTXHRR-UHFFFAOYSA-N 433.298 4.511 30 10 IJEE CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)sc2C)s1 1355348062 AOVHCNDAEFVTEI-ZDUSSCGKSA-N 438.578 4.505 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CC(=O)N(CC(C)C)C1)c1ccc(C)c(C)c1 1355774492 VWSUOJCROAQGDQ-QHCPKHFHSA-N 434.580 4.906 30 10 IJEE C#CCN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)C1CCCCC1 1358484392 ADRWTCOQYBEDJC-UHFFFAOYSA-N 426.358 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1C(F)(F)C12CCC2 1358877489 FSMJCZBLPFIOMS-XJKSGUPXSA-N 435.316 4.601 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@H]2CCCCC2(F)F)c1 1358901738 VJUBYMHTYTUJNW-PKOBYXMFSA-N 443.542 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC 1359104311 ZYLPQTPIFXSAPM-KUHUBIRLSA-N 425.360 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)C1CCCCC1 1359116137 ZJWIFGAKLPZFIO-VWLOTQADSA-N 426.605 4.899 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1359129242 WFICSTWEHRBFCS-GOSISDBHSA-N 444.992 4.693 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)c1nccs1 1359129383 AGJRJMUDFBJKIY-GOSISDBHSA-N 448.596 4.782 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](CC)N2CCCC2)CC1 1359169051 RWCJECJMKAWCTG-OAQYLSRUSA-N 425.646 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cccc(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 1359192032 UGRSGBQZRWTVGI-RUZDIDTESA-N 426.605 4.866 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@@H](CC)C1)c1ccccc1 1359195249 JHYAPWKFJKLDRW-GGAORHGYSA-N 433.625 4.956 30 10 IJEE C=CC[C@@H](Cn1c(N2CCO[C@H](COC(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1359195947 UWPMPRMFGAOEMK-VXKWHMMOSA-N 426.605 4.566 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)(C)C)CC1 1359199473 WZQMQMMYZSPJGF-UHFFFAOYSA-N 426.565 4.520 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359233888 UXALWIRZHSTWDQ-MUJYYYPQSA-N 449.393 4.542 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1359236074 YEEYAGZVCPJGQP-IIBYNOLFSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCCN1CCCC[C@@H]1C 1359259804 IUXHNGYSEQIJTO-FQEVSTJZSA-N 436.579 4.869 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1359259975 OMFBNQLRHZLQOE-UHFFFAOYSA-N 443.567 4.600 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cscc2C)C1 1359312950 DDUUQGPZAHUOMS-UTKZUKDTSA-N 442.560 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC2=CCCCC2)C1 1359314699 GNKNEUCJUUYMBV-OAQYLSRUSA-N 438.572 4.634 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3OC)cn2)cc1 1434882301 KBYXEZVOYKCKCO-UHFFFAOYSA-N 443.503 4.949 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 1436556525 DBKQZKBATIBEOR-FQEVSTJZSA-N 430.474 4.602 30 10 IJEE C#CC1(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CCCC1 1438848223 JAJHNLBOKSMUAA-UHFFFAOYSA-N 436.968 4.742 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccc(C(F)(F)F)cc1 1458176055 QMTFRQSWRLOJQO-IBGZPJMESA-N 432.421 4.922 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccsc2)nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1459003792 ZKRIKCYXMYXHCB-HSZRJFAPSA-N 434.561 4.921 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 1459586108 XNLLYBFTMZJQKH-XMMPIXPASA-N 449.982 4.521 30 10 IJEE C#CCN(Cc1ccccc1)[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1460069812 IRGRKYKQFDCALJ-OAQYLSRUSA-N 425.370 4.697 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)[C@@H](CO)CC(C)(C)C)c2C#N)C1 1460103549 DKXPYNNLYCYHPP-IAGOWNOFSA-N 433.662 4.828 30 10 IJEE C=CC[C@@]1(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1460490057 BARNCRMECNFHHG-NRFANRHFSA-N 443.371 4.834 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 1461560032 OUAOVVRZXDZGQA-UHFFFAOYSA-N 441.380 4.648 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C 1465626612 ASNDWDMGYOHVCH-BRWVUGGUSA-N 432.590 4.990 30 10 IJEE C#CCOc1cccc(NC(=O)N2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)c1 1465628675 RYYFRYMAOYUUPS-GOTSBHOMSA-N 449.551 4.742 30 10 IJEE COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Br)c(C#N)n2)cc1 1467111803 GMGNOOWODJHPJI-GOSISDBHSA-N 429.318 4.874 30 10 IJEE CCc1cccc2c1N(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)CCC2 1473249427 DJHFBWDZRHQJBS-UHFFFAOYSA-N 426.564 4.979 30 10 IJEE CCN(CCC#N)S(=O)(=O)N(C)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1 1475697060 FBFLHNXFQFBZJH-UHFFFAOYSA-N 442.368 4.698 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1 1478257087 HBUANHRDSWTVPE-LAUBAEHRSA-N 449.364 4.746 30 10 IJEE C#C[C@@H](NC(=O)NCCN(Cc1ccccc1)c1ccccn1)c1ccc(Cl)cc1F 1478899034 AFAGZXAORFQGLR-JOCHJYFZSA-N 436.918 4.554 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C#N)cc1)C(C)(C)C 1505178730 GUMUHXQLKWYZBL-OAQYLSRUSA-N 434.613 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C(C)C)C(C)C 1507545248 CETIQVJHOOKYQO-SFHVURJKSA-N 434.053 4.801 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1507557228 IBVLDDAAEXVLBV-IAGOWNOFSA-N 443.389 4.754 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1cccs1 1507753981 SOTVMNAETYDBEU-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C#CCSCCn1c(N[C@@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1ccccn1 1507758729 SBTQOOJJQDWGOY-JXFKEZNVSA-N 441.988 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1Cl 1507761797 RHGFVBKJVSAWIK-HXUWFJFHSA-N 444.764 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CCC 1507794458 FNDPHSBBMSHNFU-RKVPGOIHSA-N 436.398 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2cccc(F)c2)C1 1507794793 ATHLWRSTUZFHHG-MZKRTTBSSA-N 426.580 4.981 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507943208 XLQPQJKDXVHUDS-SFHVURJKSA-N 437.544 4.761 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC2(CC2)C1 1507952360 QPKYKIYWDCZZOT-UHFFFAOYSA-N 431.378 4.966 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)c1c(C)noc1C)C1CC1 1507990105 GRPHABHPYDUWCK-OAHLLOKOSA-N 437.544 4.526 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1N(C)CCCC1(C)C 1508002359 GAIQCFDVPJNIRI-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCC(C)(C)C1 1508014391 VCDJHJQQSLDDEM-UHFFFAOYSA-N 432.616 4.737 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H]2CCO[C@H](C)C2)C1 1508112970 SUCMALWRKSXFPY-GUDVDZBRSA-N 430.980 4.585 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1516157091 VAJYRIWRYKPVIW-LAUBAEHRSA-N 433.470 4.998 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1)c1ccccc1 1518872973 HRHCTEFIULYIHK-QHCPKHFHSA-N 433.529 4.566 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)CCCN1C(=O)OC(C)(C)C 1522702606 QVPYEPUDPCUIEZ-HMHJJOSWSA-N 425.573 4.960 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccc(Cl)cc1F 1528110100 WPJCPAXVEFSUPT-UYAOXDASSA-N 446.906 4.544 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccc(Cl)cc1 1528474897 PMFZCGKUQFYJFU-KRWDZBQOSA-N 432.680 4.532 30 10 IJEE C#C[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(Cl)cc1F 1528522809 FFCPABHSXXPQDT-NRFANRHFSA-N 430.870 4.831 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 1528640307 MNDVWWAXZJPWPH-UHFFFAOYSA-N 431.901 4.596 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 1529258474 GPDWKZLGDAEXFR-GDBMZVCRSA-N 433.733 4.805 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c1 1530984405 FYYSFTQBWPLMMQ-HSZRJFAPSA-N 429.495 4.675 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCOc2ccc(Br)cc21 1532323122 PGUOTKSBFDKVQR-SFHVURJKSA-N 432.362 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(COC)CCCCC1 1538982323 DJCVVFLNVIWQOB-QGZVFWFLSA-N 432.515 4.601 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(N(C)C)cc1 1538984150 CAOPNPTUBOESGA-RBUKOAKNSA-N 447.652 4.898 30 10 IJEE Cc1ccc(C(F)(F)F)c(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 1539079660 FITRYKZZNPMGPH-UHFFFAOYSA-N 444.413 4.989 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(Cl)c1 1539096340 YSEXRKHXURQETK-UHFFFAOYSA-N 432.753 4.739 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCCC1(C)C 1539359715 PAGDDZMKTKMUEI-AREMUKBSSA-N 438.616 4.771 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccnc(SCC)c1 1539360130 ZFAVDTWRSFJHLS-UHFFFAOYSA-N 428.565 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(F)cn1 1539547272 WNNFHPUQMTURCF-OAQYLSRUSA-N 430.314 4.826 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)(C)CC1 1539600351 MNZSQOOGQZGGNL-UHFFFAOYSA-N 425.321 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCn2ccnc21 1539652450 UDLCOVTXLVDTQA-SFHVURJKSA-N 442.514 4.723 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C 1539759774 YVTFSPAXGPLJJQ-INIZCTEOSA-N 439.050 4.758 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1539884442 JXBKDKVAPCJNJH-LJQANCHMSA-N 433.556 4.527 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCCN2CC)CC1 1539897461 DYYBQMFTOYBYTQ-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1539988985 LWBBHNWXCBNYNP-MOPGFXCFSA-N 449.368 4.961 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC[C@H](F)C2)C1 1540886419 CPPOOZPWMNOIHK-RYQLBKOJSA-N 434.943 4.527 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1540911469 YIPGQCKBVSKABH-IAGOWNOFSA-N 433.419 4.862 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(C)OCCc2sccc21 1541109096 AVENYGOPRVVETK-NYHFZMIOSA-N 441.988 4.744 30 10 IJEE CC1(C)C[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@](C)(C#N)C1 1541987853 GXEIWTCYOSEBLW-ORAYPTAESA-N 434.407 4.945 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(OCC3CC3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1544309654 GQBQBDVXKRRRIV-HSZRJFAPSA-N 433.932 4.827 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(OC)cc1)c1ccc(Br)cc1 1556781279 BLNKPIBEWHSSPL-JOCHJYFZSA-N 448.316 4.793 30 10 IJEE COc1cc(C#N)ccc1OCCN1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 1559609200 AQBYVARWFRQFKL-IBGZPJMESA-N 448.350 4.746 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1563389087 QUIIZNKEYSLCOR-IBGZPJMESA-N 437.544 4.769 30 10 IJEE C#CCOc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)cc1 1565582780 JTNPKYKGSSBZHX-UHFFFAOYSA-N 439.515 4.850 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(Cl)cc1 1583549207 GKBWRRUBQGBORE-IBGZPJMESA-N 448.935 4.764 30 10 IJEE CCOc1cccc2c1OCC(C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)=C2 1584393782 FZMKKQOHOSXZLI-HNNXBMFYSA-N 430.426 4.821 30 10 IJEE C#C[C@@H](NC(=O)Cc1sc(SCC(C)C)nc1C)c1ccc(Br)cc1 1584707551 ACTPMCMYWLNEGH-MRXNPFEDSA-N 437.428 4.995 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(Br)cc1 1584708789 UTZZUMAUXIQZCM-SFHVURJKSA-N 448.242 4.758 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sc(-c2ccc(C)cc2Br)nc1C 1586232178 OAWAWVVRZDONNO-YOEHRIQHSA-N 435.387 4.900 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nc(C)cs1 1587662577 PIZKZEOYOLFRAK-KRWDZBQOSA-N 444.004 4.523 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1587915488 MDZKYHFIOLQEED-BORKOYIJSA-N 437.632 4.615 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)CCOc1ccccc1C 1589434586 NAUSCZLJWODMCX-UHFFFAOYSA-N 447.402 4.663 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]2CCC[C@@H]21 1593717266 CSQDSXANQXHZDN-PXNSSMCTSA-N 430.980 4.969 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1594024072 RLPJIIFPWIFTKN-PKOBYXMFSA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C1CCCCC1)N(C)C 1594858153 XDALRQREESPHPP-PGRDOPGGSA-N 429.584 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1595200314 AIIZMECSUGUBFZ-UPVQGACJSA-N 431.584 4.938 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCSC1(C)C 1595303477 UASVBNGHBMKVDD-LJQANCHMSA-N 439.629 4.521 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](CC)OC)C1 1595681408 QPDDHLUILFFACF-GOTSBHOMSA-N 449.599 4.559 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)o2)cc1 1596260795 FGFBPRWYLFRQIV-QGZVFWFLSA-N 439.874 4.531 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC(C)(C)C[C@@H]2C)c1 1597630590 DNRCTVHPHCPZHF-KRWDZBQOSA-N 447.000 4.982 30 10 IJEE C=CCN1CC[C@H](Oc2ccccc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O 1613642687 SGJZSAWOUIUACQ-SFHVURJKSA-N 438.833 4.777 30 10 IJEE N#C[C@@]1(C(=O)c2ccccc2)[C@H](c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccc(F)cc1 1614015162 UMKIANLKPSQYQU-RMNGQBEXSA-N 433.483 4.618 30 10 IJEE C#CCCCS(=O)(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1621739147 LTNVFILMZTZKNX-UHFFFAOYSA-N 433.398 4.609 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 1623480274 QIQFBWOJFIFHTD-QGZVFWFLSA-N 438.355 4.673 30 10 IJEE C#C[C@](C)(CC)NC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1624420797 RQLRQRNSAXSWNW-HHHXNRCGSA-N 430.548 4.566 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(NC2(C)CCCC2)n1)c1ccc(Br)cc1 1625077498 BBPFHKRVNLMCBM-KRWDZBQOSA-N 432.387 4.683 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCSCC2)cc1C 1627084273 QJEPQGDTGOADAK-GOSISDBHSA-N 440.009 4.523 30 10 IJEE C=CCc1cc(CNC(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)cc(OC)c1OC 1627861975 HZNCVHQPJVRHJV-OAQYLSRUSA-N 440.437 4.848 30 10 IJEE C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1630132339 FEMFXTLQOMEOAI-GHTZIAJQSA-N 439.408 4.598 30 10 IJEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(CC)CC)cc1 1634762001 IEKQFAVJKAYDBC-JOCHJYFZSA-N 447.000 4.501 30 10 IJEE C=CC1(CC(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)CN(C(=O)OC(C)(C)C)C1 1635379482 CZOQOSSQLPITAQ-UHFFFAOYSA-N 438.490 4.520 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC)CCC2CC2)c1 1638090235 BBPACMNPRJGACO-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE CCCn1nccc1NC(=O)CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 1640930505 GKZYBHVSHURXIN-UHFFFAOYSA-N 449.458 4.878 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 1642540497 KGXZZBGODQDEQY-LJQANCHMSA-N 426.586 4.608 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 1645391563 RMCWFYLGNBWOKS-SFTDATJTSA-N 430.589 4.832 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1OCCC1(C)C 1649538422 DFDLLAUOEXXQRD-APWZRJJASA-N 435.597 4.650 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)c1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 1651838776 AWBRPENYGCFBEC-UHFFFAOYSA-N 444.322 4.766 30 10 IJEE N#Cc1cccc([C@H](NCc2nc(O)c3ccc(C(F)(F)F)cc3n2)C(F)(F)F)c1 1655409483 HXXMUVAGZOMCQE-INIZCTEOSA-N 426.320 4.619 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C)N2CCc3ccccc3C2)cc1OC 1657030688 MKNCMWUWEQISDN-QGZVFWFLSA-N 445.401 4.559 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC2CCCC2)c2ccccc2)cc1 1658320820 NYARGIKOOAENGN-QHCPKHFHSA-N 441.597 4.936 30 10 IJEE C#CCN(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1660895166 YTHARPCLRPTYMO-ZBFHGGJFSA-N 447.295 4.895 30 10 IJEE C[C@H](NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc(C#N)cc1 1661625688 AOUIKCCKAPSYJD-NSHDSACASA-N 433.415 4.858 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC)c(OCCN(CC)CC)c1)c1ccc(Cl)cc1F 1666697435 LDDSDXBCIIXCKZ-FQEVSTJZSA-N 447.938 4.704 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 1669673039 YAVGYCRGAKUUTL-RZUBCFFCSA-N 444.984 4.726 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 1670942141 ULLYRAZZOBNKGL-GGAORHGYSA-N 443.950 4.927 30 10 IJEE Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 1671071160 ARWLCSIHYABNCQ-SFHVURJKSA-N 449.532 4.643 30 10 IJEE N#Cc1ccc(NC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1Br 1671735700 CZJVXHOVGJBCMC-UHFFFAOYSA-N 441.373 4.745 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C(C)C 1674145641 NLDDOWIFGPYFQE-TZIWHRDSSA-N 430.662 4.610 30 10 IJEE C=C[C@H](CO)NC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1676132955 YWNFIMFBUBTAPK-FYYLOGMGSA-N 425.532 4.813 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@H]1CSCc2ccc(Br)cc21 1677622913 YOJQKDXREAKLCI-SFHVURJKSA-N 433.371 4.801 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1679173916 SITFIHWQSTYLRF-OALUTQOASA-N 433.474 4.651 30 10 IJEE C#C[C@@H]1CCCN(C(=O)N[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1 1684770170 ARUSGYCAZGBYQX-LSDHHAIUSA-N 432.387 4.997 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 1685367551 ZTCPAQUFKXLFLI-HJOGWXRNSA-N 443.538 4.561 30 10 IJEE CCc1ccc([C@H]2CCCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)C2)cc1 1685677140 CNSUPZZITYQVKW-BOMBAVFCSA-N 432.568 4.795 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(CC(C)C)CC1 1689880160 SPXASGXWRPMEKA-FQEVSTJZSA-N 439.673 4.713 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1689888774 QJRPHBGWOOISDT-SFHVURJKSA-N 427.543 4.511 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](OC)C1 1689913028 GNNFHCYOMRNAPK-ICSRJNTNSA-N 430.980 4.717 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCCN1CCCC 1690067185 UFACCIUBRJVSTJ-LJQANCHMSA-N 431.987 4.852 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC)(CC)C1 1690183342 UUXIPJQYPRDRBO-UHFFFAOYSA-N 426.630 4.857 30 10 IJEE C=C(Br)Cn1c(N(C)[C@@H]2CCSC2)nnc1C1(c2ccccc2)CCC1 1690233975 XDDYSTMDBVXTDV-QGZVFWFLSA-N 433.419 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1C(C)C 1690248616 OUCBAIXAJRNSCE-FHZYATBESA-N 430.543 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1690256342 KBKUTOVKMUFIQE-LWIATZKVSA-N 442.579 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cnc(C)s1 1690260805 YWCBAEVEDKHKMR-UHFFFAOYSA-N 427.574 4.568 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 1690295671 IPJXNBWIPJICEH-UHFFFAOYSA-N 435.297 4.564 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2cccc(C)c2)CC1 1690414558 BGEUWUIHYFNPRY-IBGZPJMESA-N 449.624 4.784 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cccnc2OCCC)CC1 1690415365 JAPIQVCUMFHKHX-UHFFFAOYSA-N 447.583 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1690439741 OEPMFYZXGXJQPP-FQEVSTJZSA-N 442.579 4.851 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690467076 KWBOQSICWJYLSX-LJQANCHMSA-N 445.633 4.638 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1690489725 ATKROIGRRUXNQE-HXUWFJFHSA-N 439.633 4.563 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690502692 CREORUABZPIFNU-HSZRJFAPSA-N 448.615 4.910 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690504103 YMLGIRFQTYFZPO-GOSISDBHSA-N 445.489 4.865 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCc2c(Cl)cccc2C1 1690510042 QWEVWOVGEGAMSR-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](C(F)F)C2)cc1 1690679845 AYCMDKSAHMUOBK-ICSRJNTNSA-N 432.515 4.614 30 10 IJEE CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCCC2)C1 1692447787 GEPSPIFNSQEMEN-JOCHJYFZSA-N 437.588 4.560 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1693631073 DLJOGXVDENHJFW-UXPWSPDFSA-N 447.505 4.801 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1c(C)noc1C 1705542357 DRNLBHUNQCZHAI-RHSMWYFYSA-N 427.936 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cc(Cl)ccc1OC(F)F 1705718071 YZHFGXQNEYWJSG-HNNXBMFYSA-N 440.922 4.878 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1705738115 LVFIORUPJGOCLV-JOCHJYFZSA-N 437.613 4.762 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1705783302 AXLLLOWQFOUROF-QFIPXVFZSA-N 439.604 4.775 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705800584 BZOXSHKJMZHZOJ-ROUUACIJSA-N 432.012 4.882 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]2c2ccc(C)o2)nnc1[C@]1(OC(C)C)CCOC1 1705810261 SJJMSCUDCPUQQG-YKSBVNFPSA-N 428.577 4.918 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1705821294 QSLLRGYXWZTELY-KXBFYZLASA-N 429.615 4.628 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1cnn(C)c1 1705823240 GFIYMHMHXRXYAT-IBGZPJMESA-N 438.601 4.620 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCc1ccncc1 1705865517 LYEXFHDIHIVIKH-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1cnn2ccccc12 1705873166 ZEJSMUJEZUBBPX-UHFFFAOYSA-N 449.356 4.582 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2cc(C(CC)CC)no2)C1 1705918622 MPFLUEMIGORHDO-SFHVURJKSA-N 439.535 4.805 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC(N2CCCCC2)CC1 1705944462 HYGOMXDNDIXVPT-UHFFFAOYSA-N 425.646 4.627 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)CN1CCCCC1 1722416351 KWPAYRGNNBZXLK-LJQANCHMSA-N 446.064 4.805 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CC1CCC(F)(F)CC1 1722498046 MCKWFGPVVFDDBU-JOCHJYFZSA-N 432.490 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccccc1OC(C)C 1722514699 IFLWWHVISPGZCH-UHFFFAOYSA-N 444.583 4.755 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1722602116 QBAMNAOLXFJNOU-UHFFFAOYSA-N 439.535 4.677 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1CCN(CC(F)(F)F)CC1 1722632966 BANPPTJTMMPKBV-UHFFFAOYSA-N 447.549 4.645 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1cccs1 1722636116 XXABGQVHFVWBAU-JOCHJYFZSA-N 428.627 4.867 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(F)c(F)c1)C1CC1 1722654210 RQUUAHXSGUOYPY-WIYYLYMNSA-N 446.542 4.709 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCC[C@H]1C 1722662887 PKYACTGPTRHPFB-CJFMBICVSA-N 436.625 4.869 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1722676188 VKBNSASXIMLCJO-LADGPHEKSA-N 443.551 4.626 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(CC)CCC2)C1 1722710431 ITBYDWMCXDXNCD-RXVVDRJESA-N 428.552 4.919 30 10 IJEE Cc1cccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCC2)n1 1724513512 GDMBMPGLJPRVKM-UHFFFAOYSA-N 444.583 4.691 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](SC)C(C)(C)C)C1 1729100751 GZRZOULVKGSQSQ-PZJWPPBQSA-N 441.645 4.847 30 10 IJEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740583053 UDOPZERKZWPUTM-UHFFFAOYSA-N 429.471 4.673 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H](C)c1ccccc1 1740615296 ZUKFTWQOLWVCHI-FPOVZHCZSA-N 437.588 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)c1cccs1 1740728253 SJHNPTAWAIFSRZ-FGZHOGPDSA-N 444.963 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(SC)c(OC)c2)nnc1C(C)(C)C 1740766525 IKNKXYAMKCMTKJ-RXVVDRJESA-N 444.645 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CSCCS1 1740770893 KRWRQCGBOXBAEO-GOSISDBHSA-N 425.627 4.744 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740843960 UQXVWLFBCPFGCT-VQTJNVASSA-N 429.653 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740844374 HWJKJSYDKFRXHO-CRAIPNDOSA-N 438.494 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1740846175 PQMCHPYFEYCSTP-HXUWFJFHSA-N 440.979 4.512 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1740912045 PFVGYVWBZJSONT-IBGZPJMESA-N 428.024 4.798 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCSCC(F)(F)F 1740918272 NDPFYBPXKHOQPG-GOSISDBHSA-N 440.535 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@H]1C(C)C 1740918361 OUBSXXQCHVQHOJ-VXNXHJTFSA-N 438.616 4.816 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCOC1CCCCCC1 1740918818 QAPKKWNIKFAXFT-UHFFFAOYSA-N 434.588 4.611 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CC2(c3ccccc3C)CCOCC2)C1 1740972928 OOCDIFSWYAPUEA-IRLDBZIGSA-N 438.616 4.630 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2CCCC2)C1 1740974478 FXUQOYMDZGZEGK-NRFANRHFSA-N 440.588 4.712 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)cs1 1748372269 FYRRGGUVXLUECY-INIZCTEOSA-N 448.552 4.567 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1748756417 LTPKKVYYGFPLSS-NRFANRHFSA-N 433.625 4.535 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCCC(F)(F)C1 1748953894 WLTRZOPCGNYFGL-SFHVURJKSA-N 442.510 4.993 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([S@](C)=O)CCC1 1749146833 OMVWRYZRXVUQOT-NDEPHWFRSA-N 441.428 4.956 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCC[C@@H]1CC 1749153289 SEACRWBHHSADCG-QHCPKHFHSA-N 447.631 4.798 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1749195638 WTSKAUDPDWLAMG-APWZRJJASA-N 427.326 4.743 30 10 IJEE C=C(C)COCCn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1C1(c2ccccc2)CCC1 1749241055 DFLPZKBEPQZMMJ-JOCHJYFZSA-N 438.616 4.592 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1oc(CC)nc1C)C1CC1 1749515262 UMXSXAQXAQHOQV-UHFFFAOYSA-N 442.361 4.770 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@H](C)C1 1749592481 NMXWAFOJVPLGLI-IRXDYDNUSA-N 433.394 4.783 30 10 IJEE C=CCn1c(N(CC2CC2)C2CCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749643526 TXWRBEYXZPMATQ-KDURUIRLSA-N 429.609 4.784 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](CC)Oc2ccccc2F)C1 1749701561 WKCSIGQKTYDTSO-OALUTQOASA-N 440.519 4.625 30 10 IJEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1760284189 IIJRIDSXFHFGRM-SFHVURJKSA-N 431.565 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1ccc(NC(=O)c2ccco2)cc1 1760288670 ICYGZHBYFBPQPD-IQGLISFBSA-N 431.540 4.677 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2)C1 1760302471 DZSKCQLEVQMGCO-QGZVFWFLSA-N 444.764 4.896 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccnc(SC)c1 1760338528 MDIZMYQJDRVNRB-UHFFFAOYSA-N 429.540 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(C)(C)C)CC1 1760409243 OQUUDQUCSYRNGR-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760426901 HRPFIAQDQXZOQY-LJQANCHMSA-N 440.485 4.912 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1760447251 KRXHUIVWSXCNGD-IBGZPJMESA-N 440.588 4.572 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCO[C@H](C)C1 1760499556 BWZXUVKNOPLDSF-RTWAWAEBSA-N 435.572 4.682 30 10 IJEE C[C@H](NC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1761461442 HPFWZMUHWMBILL-UQBPGWFLSA-N 438.595 4.582 30 10 IJEE C[C@@H]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)C1 1762792113 DWNXCEXYTRXABV-UYAOXDASSA-N 435.597 4.905 30 10 IJEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1765437323 GLWLOYHITUXDIS-OAQYLSRUSA-N 435.494 4.537 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1772555023 RVDKZJDVGCYGSJ-FUHWJXTLSA-N 432.515 4.764 30 10 IJEE CCOc1ccc(CCn2ccc(=O)c(OCc3cccc(C#N)c3)c2C)cc1OCC 1857909680 HDRAYXATJGPMPL-UHFFFAOYSA-N 432.520 4.648 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)c2cc(OCC)cc(OCC)c2)cc1 1858876487 NSXVLLTYFPTWSQ-UHFFFAOYSA-N 438.524 4.587 30 10 IJEE CC(C)(C)c1ccc(/C=C/C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Br)cc1 1860722835 VIOJSTMXXYLQKK-IZZDOVSWSA-N 431.286 4.876 30 10 IJEE COc1ccc(OC)c(NC(=O)C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 1860728644 RLVUROVRSJUZCY-FMIVXFBMSA-N 447.487 4.512 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1c[nH]c2ccccc12 1861382876 LQIZNVMTMYOCOW-RUZDIDTESA-N 449.595 4.620 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(Cl)ccc1Cl 1861765413 PBSUIEGYNXURAB-XLIONFOSSA-N 443.415 4.826 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccccc2)cc1C 1862397912 NKXCQDZXVTWEDU-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)c1 1862413806 LHGLQKFDPHZWJB-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F 1862473595 CQEOFWNPQMOCNY-HSZRJFAPSA-N 438.543 4.834 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862518028 AJXOZEHMQMDEMM-VFNWGFHPSA-N 438.480 4.760 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862535976 NZHOWSNKCZHJIZ-HSZRJFAPSA-N 447.462 4.578 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2c(c1)CCCN2C 1862554219 XVDCDBHKLRKFGB-VWLOTQADSA-N 442.559 4.712 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc2cc[nH]c2c1 1862572487 HBATZMREVIYFJK-JLCFBVMHSA-N 434.492 4.562 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 1862611989 YMTDQCGKLDMJPB-LJQANCHMSA-N 446.286 4.505 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(Cl)cccc1Cl 1862633117 GFLMNRKOKACSLV-LJQANCHMSA-N 448.302 4.956 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(c3ccccc3Cl)C2=O)cc1 1862866306 HSWVKSOOLVTJBO-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccc[nH]1 1864914557 GMJNKAMWHFHFPA-HXUWFJFHSA-N 441.620 4.652 30 10 IJEE CC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866778864 HODZXXJHKDDPLA-BJKOFHAPSA-N 447.485 4.892 30 10 IJEE CCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867012164 VKUFNDHDFJNUOT-ZEQRLZLVSA-N 433.552 4.764 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2-c2ccccc2C)c2ccccc2)cc1 1870142867 ZAGXFTMSSQTYJK-JWGURIENSA-N 435.487 4.635 30 10 IJEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870488919 ZADUNFYGKGIFNN-UHFFFAOYSA-N 443.591 4.552 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccccc2)cn1Cc1cccc(C)c1 1870599802 ONRAXVJUBDCKJN-UHFFFAOYSA-N 444.575 4.837 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CNc1ccccc1C(C)C 1871176843 NVMQVEDVWUCPQQ-UHFFFAOYSA-N 449.526 4.926 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)cc1OC 1871392049 NATJSBIRLOEVCD-XKZIYDEJSA-N 436.485 4.920 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871408110 UULFBTRHFKOABZ-VRHSPDTKSA-N 433.435 4.857 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871411189 GCUZALOFGRQYOS-KSJDGYIASA-N 433.435 4.857 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCC)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871499849 JCWJJOVYODEVBX-UHFFFAOYSA-N 434.510 4.648 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871817984 ZJTNBHLEHKBPDG-FQEVSTJZSA-N 428.598 4.932 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871881129 HGLATEGCKSGBSY-SFHVURJKSA-N 427.353 4.587 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3CCCC3)ncnc2n1CCCOC 1873587401 FJCZNPCFCULLKX-UHFFFAOYSA-N 443.636 4.939 30 10 IJEE CCCCOc1ccccc1NC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 1873954063 RQBDCLDFZMLEMF-UHFFFAOYSA-N 442.519 4.711 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2ccccc2F)C1 1874180974 BABGOAGBRRPPAC-GFCCVEGCSA-N 448.338 4.851 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccccc1O 1874194299 IOWZPNZJTACGSY-ZVHZXABRSA-N 440.569 4.863 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1OC(C)C 1874277114 KHHRARKSNUBVNV-MAKCPWPFSA-N 443.617 4.564 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874340494 MVKGCAYHXWXDRE-IERINAHZSA-N 443.617 4.566 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccccc2O)cc1 1874349609 VDVSVGGDIPADEN-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(OC)c1OCC 1874507444 CZLYXHDKUXQLRR-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1c[nH]c2ccccc12 1874511990 GHZSTDAWAPDLQS-DHRITJCHSA-N 432.553 4.804 30 10 IJEE Cc1ccc(COc2ccc(/C=N/n3c(S)nnc3CCOc3ccccc3)cc2)cc1 1874562558 CVHAGQVYZBURIP-YZSQISJMSA-N 444.560 4.958 30 10 IJEE COc1cccc(CCc2nnc(S)n2/N=C/c2cccc(OCc3ccccc3)c2)c1 1874564273 XMMDSTDMCCOPHW-YZSQISJMSA-N 444.560 4.822 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1OCC(=O)Nc1nccs1 1874596341 SROHZAXRDXSQNI-XVNBXDOJSA-N 426.469 4.513 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1 1874609277 IGDSGYVJKDNUFP-NTUHNPAUSA-N 435.907 4.940 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1OCCCO 1874637993 CNDVDHBWJJICAI-QPJJXVBHSA-N 440.279 4.958 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CCOC 1875181841 ZQBCBICGRCJSSR-SOFGYWHQSA-N 432.900 4.894 30 10 IJEE Cc1cc(C#N)cc([C@]2(C(=O)O)C[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1952772845 QCRXNHUQWIXCOO-SHQCIBLASA-N 438.483 4.500 30 10 IJEE CCCC[C@H](CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 1963242080 HNXPOXSCFZLVRT-GOSISDBHSA-N 438.418 4.545 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](CC#N)C1 1985179638 QFEZJUIQEHBJFA-XHNVNVPESA-N 445.563 4.702 30 10 IJEE CC[C@@H](c1ccc(C)cc1)n1nc(C(C)(C)C)c(/C=N/O)c1I 2079037043 CAUMQHFCCXIFOD-BBJIBYMTSA-N 425.314 4.901 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2082165586 LOHXXUUQQVEZJN-QTZVNIFKSA-N 446.632 4.572 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](Nc2cc(Br)cc(F)c2C#N)C1(C)C 2127897975 NPYBHYHYMAPJNE-BDJLRTHQSA-N 426.330 4.811 30 10 IJEE C=CCN(CC[C@@H](Cc1cc(Br)ccc1OC)NCC)C(=O)OC(C)(C)C 2155517248 RZDHXCILVGKFAE-SFHVURJKSA-N 441.410 4.792 30 10 IJEE CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)c(C#N)cc1F 2174763209 KIOOIVYMLHAGCF-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181103048 KQGCTKNQWAOBOQ-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(Nc2ccc(C#N)c(Br)c2F)C1 2182457841 VUDPPKVMYFEXJC-OALUTQOASA-N 442.304 4.753 30 10 IJEE C=C(Cl)CC(=O)[C@@H](O)c1cc(Br)cc(Br)c1OCCC 2196586651 UFDPJPLRWJDWKJ-ZDUSSCGKSA-N 426.532 4.746 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CCNc2cc(Br)cc(F)c2C#N)C1 2205222044 ITHOBOVANMKAKU-XCLFUZPHSA-N 438.341 4.909 30 10 IJEE C=CCC1([C@H](NC)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2225603189 MQVRRNNUKGNBQU-MRXNPFEDSA-N 431.321 4.801 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H](N)C#Cc1ccccc1Br 2235726117 JRPDBPRVOLJIFA-VQTJNVASSA-N 435.406 4.992 30 10 IJEE CC1(C)OB(c2c(Cl)cccc2C(=O)N(Cc2ccccc2)CC(F)F)OC1(C)C 2248084748 QEYDVIXWJPWVRS-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE C=CC[C@]1(COc2cc(Br)c(F)cc2N)CCCN1C(=O)OC(C)(C)C 2272242839 NUTCBBCLNCUYRH-LJQANCHMSA-N 429.330 4.895 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2cccc(Br)c2)CCC12CCC2 2296224929 PGLLNPKSRRSBDX-IEBWSBKVSA-N 434.374 4.731 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H]1C 2296285462 AWQRCANCXCMAJQ-DKZVUGQWSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C1(C2(NC(=O)OC(C)(C)C)CC2)CC1 2296289012 NGAZGWBPINXWEY-GOSISDBHSA-N 433.390 4.616 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CCC1CCN(C(=O)OC(C)(C)C)CC1 2296306756 LMOUBYHFEFYBRQ-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296307190 QWLLJGGZDLBRBU-QYZOEREBSA-N 435.406 4.718 30 10 IJEE CSC1(C#CC(=O)c2cc(Br)ccc2I)CCC1 2314696890 JEOKWSYTSBBROA-UHFFFAOYSA-N 435.124 4.526 30 10 IJEE C[C@](N)(C#N)CCCCSc1cc(I)ccc1Br 2316463508 RAEDUOXGRZNQFG-CYBMUJFWSA-N 439.160 4.557 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O 2322698846 SOOXAULTCORZAH-UHFFFAOYSA-N 429.472 4.905 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3ccc4c(c3)OCO4)c2C)C1=O 2322775013 ZVKWTFDIKXLVNM-UHFFFAOYSA-N 430.412 4.568 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2322904343 GIWMFNURKGHFNM-UHFFFAOYSA-N 443.499 4.834 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1OCCO 2322969471 XRMHERLXJOVUMK-UHFFFAOYSA-N 431.699 4.931 30 10 IJEE Cn1cc(C=C2Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc3C2=O)c2ccccc21 2323153572 GCZQGZHGBRSLKU-UHFFFAOYSA-N 440.411 4.922 30 10 IJEE CCCCCCOc1c(OC)cc(C=Nn2c(S)nnc2CCCC)cc1[N+](=O)[O-] 2323502030 MHSQXEVMAIXPRN-UHFFFAOYSA-N 435.550 4.668 30 10 IJEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2324119729 LNQYNBXMWDSAMX-UHFFFAOYSA-N 441.483 4.604 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 2325666172 AZSSJJIFNNIYPG-UHFFFAOYSA-N 427.806 4.987 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc(OC)c1O 2326542292 BLEXBRZHCHAASS-UHFFFAOYSA-N 446.960 4.917 30 10 IJEE Oc1ccc(C=Nn2c(COc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2329884004 QCKQKJJJMYDRIN-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2330276028 AROJUMVDXMWRAD-UHFFFAOYSA-N 441.384 4.855 30 10 IJEE Cc1c(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331163061 QRZUNQKTWCINHY-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cnccn2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 2331245696 KYDWKHHFZVDQPK-UHFFFAOYSA-N 444.230 4.807 30 10 IJEE CCOc1ccc(C=Nn2c(CCOC)nnc2SCc2cccc(Cl)c2)cc1 2331305939 PSPYDUUFPSTFOB-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)C)c1 2331675962 UHPOERKLFMMWBW-UHFFFAOYSA-N 437.569 4.645 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)cc1 2331729003 BSWCLLHUWDSRIJ-UHFFFAOYSA-N 439.972 4.984 30 10 IJEE CC#CCN(C[C@@H](Cc1cc(Cl)ccc1Br)NCC)C(=O)OC(C)(C)C 2337921005 IAGAVGFXKPXUHA-QGZVFWFLSA-N 443.813 4.884 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339544109 BASVLGZOGSVLGP-IEBWSBKVSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339586874 MHGASQMNVOPSAI-HHNLSAEISA-N 443.397 4.926 30 10 IJEE COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC 2250446 FUZAFQYOSQBOQA-WXFUMESZSA-N 441.531 4.720 30 10 IJEE C/C(=N\Nc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1ccc(C)cc1 20837943 NPBUZHPLYGWKBC-YDZHTSKRSA-N 439.932 4.945 30 10 IJEE CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 21250674 DCZPITIAFRCRBN-WIYYLYMNSA-N 449.547 4.885 30 10 IJEE CCOc1ccccc1N/C(=N\C(=O)c1cccc(C)c1)NCCc1c(C)nn(CC)c1C 32973152 DTOYTUANNXQJKE-UHFFFAOYSA-N 447.583 4.668 30 10 IJEE CCCCCCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3)c2O)cc1 38619646 HYEVSWVYJQZHER-UHFFFAOYSA-N 444.531 4.972 30 10 IJEE Cc1ccc(N/C(=N/C(=O)c2ccc(CN3CCCCC3)cc2)NCc2ccncc2)cc1 45940095 TYTPIQAQQQIJMB-UHFFFAOYSA-N 441.579 4.774 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 58147949 XFWWJQFLSKMBKU-FQEVSTJZSA-N 438.984 4.550 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cccc(C)c2)n[nH]1)c1ccc2ccccc2c1 59021927 ZRVKOVHALKDIGY-QQXSKIMKSA-N 430.537 4.833 30 10 IJEE N#Cc1ccc(/C=C\C(=O)N(Cc2nnc(-c3ccccc3Br)o2)C2CC2)cc1 96545290 GNQYNBYEDBADHS-XFXZXTDPSA-N 449.308 4.575 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)N(C)C)c2)cc1 100316751 FIGYWZUPFXZNQS-UHFFFAOYSA-N 441.597 4.864 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2Cc2ccccc2)ccc1OCc1ccccc1 169911530 OAUZTDIJJQFRLQ-XYGWBWBKSA-N 430.533 4.627 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2C[C@H](C)O[C@H](C)C2)C1=O 170001549 YYLRYWPYFLQVRG-OYRHEFFESA-N 426.601 4.853 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(C(=O)O)cc3)[C@@H]2c2ccccc2)c1 170051180 NHUGJSOLCJFPAQ-HSZRJFAPSA-N 441.483 4.780 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccc(O)cc3)ccc2O1 170131438 JEPLCEBWTWREIH-QKFKETGDSA-N 445.446 4.638 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140274 XRLBRJCAJARLNM-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)cc1Cl 170144253 ABDZGPLMVZQFGO-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170178126 SWZKTEFXDAEARL-FQEVSTJZSA-N 434.835 4.853 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OCC)c2)[C@@H]1c1ccccn1 170181028 ZRJWIYHFCMSYSW-FQEVSTJZSA-N 428.916 4.902 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 170191558 MURQFUBWUTYAQZ-LJQANCHMSA-N 426.806 4.796 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cccc(OCC)c1 170217861 ONNFRZUDDFUXAK-NRFANRHFSA-N 427.472 4.611 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 170227079 DIPISDGIIYNFKE-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)ccc1Cl 170241024 GSFUZMUCZNPPGS-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)c1 170279788 CYHHDHSYMFBYAM-SFHVURJKSA-N 429.881 4.782 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)c1 170283550 WPIKDQFTEXZXGZ-QFIPXVFZSA-N 433.460 4.803 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccco1 170290886 OHVUXGDXVCFANT-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(C)o2)cc1Cl 170310820 IAMRWPALFYJFSJ-HXUWFJFHSA-N 445.899 4.780 30 10 IJEE CN(C)c1ccc(Cn2nccc2NC(=O)/C=C\c2cn(CCC#N)c3ccccc23)cc1 211914085 NIGOSZSBBGDEME-RAXLEYEMSA-N 438.535 4.518 30 10 IJEE Fc1ccccc1-c1csc(=NC[C@H]2CCCO2)n1N=Cc1ccccc1OC(F)F 254450656 YZAPRPOORVCEIN-MRXNPFEDSA-N 447.482 4.919 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1C#N 468812079 CCMVYSGJVITRIZ-GOSISDBHSA-N 427.888 4.693 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(CC(=O)Nc2ccccc2C)n1 485062780 QIHICUWZHGLSRV-UHFFFAOYSA-N 436.537 4.729 30 10 IJEE C=CCCc1ccccc1NC(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1 505028322 BUIPRZXIAZBVRS-UHFFFAOYSA-N 436.512 4.525 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)Cc1cccc(Br)c1 519880232 KGYRJLCGPIVBIB-OAHLLOKOSA-N 432.318 4.686 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])s2)cc1 526516343 PQGSBERZXKOHCF-FQEVSTJZSA-N 433.445 4.594 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)Cc1csc([C@H](C)OCC)n1 549678011 PMAGAWFSUJXKHD-INIZCTEOSA-N 429.565 4.775 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 553054643 DOIXTVVSNZXGOG-YADHBBJMSA-N 445.519 4.714 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N3CCC[C@@H](C)C3)C2)c1 585963156 CFQFAZYGJVZJDR-DENIHFKCSA-N 426.605 4.570 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2)c1 586005547 NVXGDOQPTJSFFS-HXUWFJFHSA-N 440.975 4.607 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670202070 CEHOOQYMUHNOOO-JOCHJYFZSA-N 434.588 4.705 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 670215286 XTBAJTOQLJQVHE-UHFFFAOYSA-N 440.979 4.687 30 10 IJEE CC#CCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686827674 HVJPQIOQLZRIEO-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE [N-]=[N+]=Nc1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 708111939 XRAZLYLBQWFQCZ-OAQYLSRUSA-N 444.447 4.868 30 10 IJEE CCOC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1cccc(C)c1 708811348 MIWODNBZFYISNY-QHCPKHFHSA-N 433.549 4.560 30 10 IJEE CC1(C)OB(CCC[C@@H](N)c2ccc(I)c(Cl)c2)OC1(C)C 713789404 OGPWZUUFHAUEQH-CQSZACIVSA-N 435.542 4.817 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 718956299 UGBMYKWYVPCUFH-IZZNHLLZSA-N 446.444 4.533 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)ccc1Cl 745238473 GNAUZGSNYOYYDE-IRXDYDNUSA-N 432.854 4.520 30 10 IJEE COc1cc(Cl)c(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 750436955 HRFRVZIAUFVITD-SECBINFHSA-N 439.320 4.608 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCCN3C(=O)c4ccccc4C3=O)n2)cc1 753920757 JOGJEPKGSTUTFL-HXUWFJFHSA-N 443.528 4.761 30 10 IJEE Cc1cc(F)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cc(O)ccc2C)cc1F 753974161 KOTSUPKHVYEUDC-UHFFFAOYSA-O 438.479 4.770 30 10 IJEE CSCCCNC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1ccc(C(C)(C)C)cc1 762440990 QDULSZZWAJHATR-UHFFFAOYSA-O 426.631 4.697 30 10 IJEE N#Cc1cccc(-c2nnc(COC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)o2)c1 764057610 OVJQPZQZBLASJD-CXUHLZMHSA-N 433.773 4.951 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 802566893 CXVWBJLHSKGLFX-DNQXCXABSA-N 448.542 4.620 30 10 IJEE CCCCCCOC(=O)CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1 1083896998 ASIPGDSYYQYLSR-UHFFFAOYSA-N 430.361 4.773 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2cccnc2SCc2cccc(Br)c2)C1 1116539393 UIMUAAWOPIKOFQ-KRWDZBQOSA-N 433.371 4.554 30 10 IJEE Cc1c(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)nnn1-c1ccccc1 1126096240 ASSWSPCOTOCFTD-UHFFFAOYSA-N 427.895 4.948 30 10 IJEE C#C[C@H](NC(=O)c1cccc(Br)c1Cl)c1ccc(Br)cc1 1129730399 GWQDVPXUZDTHOF-AWEZNQCLSA-N 427.523 4.969 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2cc(OC)c3ccccc3c2)CCCN1C(=O)OC(C)(C)C 1134572938 AJVBNAVNACJPBH-WXTAPIANSA-N 436.552 4.819 30 10 IJEE C=CCOc1ccc(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)cc1OC 1136595227 WVYKTXNYVIABRN-UHFFFAOYSA-N 431.488 4.547 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CCCC1(C)C 1139511468 OUFQUWPFLWFTNQ-VXKWHMMOSA-N 443.632 4.605 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2c(C)nc3ccccc32)CC1 1156641413 PIENEDBOLFTURH-LJQANCHMSA-N 446.979 4.544 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)c1 1158610540 YUARUTXNYDPHGB-NRFANRHFSA-N 435.524 4.750 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 1159779161 QOPCRIZVTKISPE-FGZHOGPDSA-N 438.955 4.728 30 10 IJEE C=C(Br)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 1165432225 ASMMUNFOUCZCDS-UHFFFAOYSA-N 437.384 4.979 30 10 IJEE COc1ccc([C@H]2CCCCCN2C(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 1168871906 DZGIRTKSAYUPFK-AREMUKBSSA-N 429.564 4.800 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 1175400108 YOFDTSLCFWGLGN-VWLOTQADSA-N 446.588 4.663 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(C)=C(Br)C1 1206203863 WVCPRPZBFUMJMG-UHFFFAOYSA-N 430.140 4.920 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1214934609 CHTJUWXBUQLYNX-UHFFFAOYSA-N 447.457 4.770 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@H]1C[C@H](C)O[C@H](C)C1 1227053893 IFUHBRLMOLSUAO-MUJYYYPQSA-N 427.358 4.880 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)c1 1264943186 WLJXSTDLAMGHCI-UHFFFAOYSA-N 428.442 4.682 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C=CCCC2)c1 1265972035 IITMSSVNNPFDGT-LJQANCHMSA-N 430.957 4.560 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)c1cccs1 1286361095 LGJHLHMUCICHCX-SFHVURJKSA-N 438.597 4.926 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCc1csc(CC)n1 1286453805 BYCHRSREFMCIPV-UHFFFAOYSA-N 449.555 4.887 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1286553004 CBPGDQNUYLPMRA-DYESRHJHSA-N 434.506 4.971 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286620155 GJDGPTXEDOQAMK-MJGOQNOKSA-N 444.942 4.656 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H](C)C2)CC1 1286654882 LKTIREPJZSHVHM-NRFANRHFSA-N 432.616 4.731 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCNC(=O)c2cccs2)CC1 1286657277 VZRWAESEHNOAQK-NRFANRHFSA-N 449.624 4.714 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2CN(CC)CC)CC1 1286662343 GUSVOJJMUCAJPR-UHFFFAOYSA-N 444.627 4.556 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1286664897 LFZWTOXVMYBKSH-URXFXBBRSA-N 438.616 4.897 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1286734817 IEENJCIRDXDRDY-ZWKOTPCHSA-N 444.023 4.882 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC[C@@](C)(CC)O1 1286753219 XTJKYQYOCRWRIH-NBGIEHNGSA-N 432.572 4.861 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286835649 ABWIKDJRENHGLQ-CEXWTWQISA-N 449.665 4.593 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1298087434 SZEJYOBBFJWYOY-SANMLTNESA-N 446.572 4.614 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1ccco1 1300424904 OQKFIFOHVPOXQY-OALUTQOASA-N 439.560 4.698 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1300937185 KLHWMFZVUXWJEI-JOCHJYFZSA-N 444.583 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCCO[C@H](c2ccccc2)C1 1301154304 OSEFOHDVUCOSER-QHCPKHFHSA-N 431.584 4.834 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1301176247 UHQJEBDOPQEXOL-KNQAVFIVSA-N 444.023 4.502 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1301194879 QNSMDVIQHRAXBW-UHFFFAOYSA-N 442.007 4.593 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1301348685 GSRAROCECVXABJ-SFTDATJTSA-N 437.632 4.626 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCCc1nnc(C)s1 1301355416 VBKRGYDOLIZWKU-UHFFFAOYSA-N 442.608 4.991 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(F)(F)Br 1301374610 CNUBNZGPXUPEEB-UHFFFAOYSA-N 449.246 4.713 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1301438689 ZFNOTIMKIJNWAR-HUUCEWRRSA-N 433.350 4.897 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](CC)Oc2cccc(F)c2)C1 1301543097 VKENFNHSXDIEBN-CTNGQTDRSA-N 440.519 4.625 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCOc2ccccc2C(C)C)C1 1301554721 LQKHFMBELCOXEK-NRFANRHFSA-N 447.583 4.632 30 10 IJEE N#CC1CCN(c2nnc(-c3ccccc3)n2CCc2ccc(Br)s2)CC1 1302999901 GSUHVVNLORIRMJ-UHFFFAOYSA-N 442.386 4.752 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c(Cl)c1 1304273192 VCPDRVBBERRPLM-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE CCC[C@](C)(O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N 1306523477 BPKILGMAWJVYQT-PNCHPQGNSA-N 448.011 4.978 30 10 IJEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CCCC2)CCO1 1306630419 ALGVVBIKVCQEAD-QFIPXVFZSA-N 437.588 4.704 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1cnc(NC(=O)OC(C)(C)C)cn1 1308808484 CVQUGRQBIQVVLI-UHFFFAOYSA-N 435.322 4.763 30 10 IJEE CCOC(=O)C1CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1310922891 ALEJAUZMAYPBLD-UHFFFAOYSA-N 444.347 4.783 30 10 IJEE C#C[C@H](NC(=O)NCCc1cn(C)c2cc(Cl)ccc12)c1ccc(Br)cc1 1312508334 VRSNPQWQTVPETN-IBGZPJMESA-N 444.760 4.810 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 1312960089 QOZHRKZVNWZXPN-SANMLTNESA-N 438.568 4.692 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1319168702 BSSGMLDZOBESEV-SFTDATJTSA-N 441.572 4.523 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)ccc1Oc1ccc(C(F)(F)F)cc1 1339587963 ANZSRXHRSXACDQ-QZTJIDSGSA-N 430.382 4.975 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1351959332 BJNOVRLMBGXTBR-CPJSRVTESA-N 438.572 4.881 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 1352062776 IUDJZJBNUIVNPJ-UHFFFAOYSA-N 428.389 4.654 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(OC[C@H]2CCCO2)c1 1357803851 OYFCBDZDOQAMTQ-HXUWFJFHSA-N 448.332 4.974 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCc1nc(C)cs1 1358894734 VUGPTYKSDUFFHD-GOSISDBHSA-N 432.597 4.596 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1 1358904247 ACDFZXZEMPGAOJ-IBGZPJMESA-N 426.536 4.510 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1358930761 CWBQWQAQGTVYSQ-PXNSSMCTSA-N 437.802 4.956 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1358943266 CALNRENKIBZNDR-IFMALSPDSA-N 435.959 4.539 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1358944416 SLIGOVCDJJLWOL-BVAGGSTKSA-N 436.600 4.645 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1nc(C)c(C)s1 1358953607 BWMFOVYLRJZDAI-UHFFFAOYSA-N 432.018 4.609 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(CC)s1 1358997569 XMVRIXCMPGDCFC-UHFFFAOYSA-N 432.593 4.609 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)c1nccs1 1359003845 ZKLYFBWMBKQTNY-CVEARBPZSA-N 425.627 4.851 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCCCOc1ccc(F)cc1 1359070032 CZNCRLKFAMQPCF-ZJSXRUAMSA-N 426.536 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OC)C1 1359093534 OUXKGXFBUCFGLD-WWNPGLIZSA-N 438.616 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)OC(C)(C)C 1359107829 WNHKMMOYOVMUGX-UHFFFAOYSA-N 439.604 4.675 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359145258 KNGRBJBBNHBVHO-GUYCJALGSA-N 439.785 4.630 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(C)CC1CC(F)(F)C1 1359147360 DHNVRKBMWAFEEE-UHFFFAOYSA-N 431.712 4.942 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)SC)CC1 1359167963 BZNCXVDTJKQSBH-HNNXBMFYSA-N 437.407 4.528 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1359176758 NBWMCXVOYKWVMI-UHFFFAOYSA-N 444.583 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359191795 LYUGFFIWZFZADR-SFTDATJTSA-N 425.621 4.687 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCO1 1359263876 OIEAITVXKQUTMC-HXUWFJFHSA-N 426.561 4.831 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CCn1cc(Cl)cn1 1359275120 LBFGQHLTAWVFBH-UHFFFAOYSA-N 426.996 4.652 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1Cl 1359277239 GHBXSCDQYCUPCQ-IBGZPJMESA-N 426.948 4.702 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359338812 IQKFFVGJIJNKPN-DNVCBOLYSA-N 436.984 4.662 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2C)cn1 1359673487 CYVXOHZHHGVPSC-GCJKJVERSA-N 429.572 4.803 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1360164583 YIFAYUHAEPLJQG-JOCHJYFZSA-N 428.573 4.952 30 10 IJEE CCc1ccc(Br)cc1C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1 1360350800 AWOWCISEUVPZLW-KRWDZBQOSA-N 431.330 4.631 30 10 IJEE C=CCC[C@@H](C(=O)NCCC(=O)Nc1cc(Br)ccc1C)c1ccccc1 1435000126 ZSNADSICOWMWMR-LJQANCHMSA-N 429.358 4.952 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccc(F)c(F)c1 1435951345 OCROGXAZZCWGCS-HSZRJFAPSA-N 446.453 4.808 30 10 IJEE C[C@H](OC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccc(C(F)(F)F)nc1 1436181883 DIKMIHKJOVPQCC-VIFPVBQESA-N 448.298 4.757 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1)c1ccc(Cl)cc1 1450848499 MOKQKULWONYVDB-QGZVFWFLSA-N 430.817 4.997 30 10 IJEE C=CCn1c(SC[C@H]2CCCC[C@H]2C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 1458722493 BSINFDZXYJUSTC-HZPDHXFCSA-N 446.638 4.984 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCc3c(Br)cc(C)cc3C2)cc1 1459982547 GULPAHKVQGHVLI-GOSISDBHSA-N 440.385 4.759 30 10 IJEE C=CCCSCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 1461409041 OMKRSBNFJSVGIM-DENIHFKCSA-N 428.623 4.966 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)c1ccc(F)c(F)c1 1467263219 VINKTYOBQUZQNL-OAQYLSRUSA-N 434.446 4.666 30 10 IJEE C#CCOc1ccc(CNC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 1468164872 FVTNMUOXXCICHZ-UHFFFAOYSA-N 445.569 4.779 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 1468939942 RJMSTMHPSOYOLQ-QFIPXVFZSA-N 436.552 4.733 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 1471479631 CEAYCRDAFMCGAV-QGZVFWFLSA-N 425.932 4.790 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCCO[C@@H]2C(C)C)cc1OCC 1474027531 GJJQEPITQSZDBJ-FXAWDEMLSA-N 426.395 4.953 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2ccc(Br)cc2)CC1)c1ccccc1 1478257579 NEWROWDROGRVMO-OAQYLSRUSA-N 428.374 4.988 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC(C)C)nc1 1507521069 KEZWXLCBYRMRRR-MSOLQXFVSA-N 449.624 4.820 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2ccc(CC)o2)nnc1[C@@]1(OC(C)C)CCOC1 1507576555 YPANZIXKTWQOTC-PXDATVDWSA-N 440.588 4.619 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)OC 1507661039 KSSBNQFGQGPFJJ-UHFFFAOYSA-N 426.973 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1507770927 SNJCKIVUNAEGNQ-HSZRJFAPSA-N 439.485 4.518 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCc2ccc(Cl)cc2C1 1507779379 AQXYZXFGQYAERA-UHFFFAOYSA-N 433.737 4.971 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1 1507794370 FJVTZBRPFCEZPZ-UNMCSNQZSA-N 438.616 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1507808726 ZFRRRAWQDZSUJQ-NWSQWKLXSA-N 444.620 4.567 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1507832206 SXSAFRXWAYSAOO-ICSRJNTNSA-N 431.625 4.984 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507885697 LFPZNXGXKPIYOM-FQEVSTJZSA-N 443.586 4.672 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC[C@](C)(CC)O1)C1CC1 1507991843 VQLCGSQWOHCFSB-BWKNWUBXSA-N 437.588 4.650 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C(C)C)N1CCCC1 1508008783 TWIHOBSBVBJSOP-UNMCSNQZSA-N 443.661 4.547 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(F)(F)F)C1 1508104548 JIPKYLYMDICDKN-KRWDZBQOSA-N 431.462 4.665 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N(C)CC(C)(C)C 1508109593 UHKBQZNUUXXBAZ-UHFFFAOYSA-N 425.602 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC=CCC2)C1 1508116277 IOLIXPHAIZKXAL-XLIONFOSSA-N 443.389 4.845 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2c(CC)noc2C)C1 1508119028 ZDUMZFXLIFITSM-SFTDATJTSA-N 435.572 4.508 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](c1ccco1)N1CCCC1 1513204126 HPAZMGCUTCHESR-WWNPGLIZSA-N 446.599 4.846 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1514038667 HYQMZCUTRHKMGY-JTHBVZDNSA-N 434.632 4.954 30 10 IJEE C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1 1523261414 BKBISDDWSDIIJN-XOBRGWDASA-N 434.433 4.982 30 10 IJEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H]1n1cccn1 1525926824 HWQNXVZAXSTBRK-WXFUMESZSA-N 444.535 4.669 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 1527786558 BGYDOSGGIRSELL-UHFFFAOYSA-N 438.471 4.554 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(Br)cc1 1528082004 SJOOBGYWSRNDPL-BBWFWOEESA-N 438.243 4.942 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)cc1OC 1529789326 BPCAEEGOMCUMGV-RDPWEWGOSA-N 429.557 4.776 30 10 IJEE C#CCN(C(=O)CCCOc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1531552922 GXGWYVNKOGEJQZ-HXUWFJFHSA-N 442.353 4.902 30 10 IJEE CCOc1ccc([C@@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C(C)C)cc1OCC 1531590558 HFLOBFQIXUTRDM-VWLOTQADSA-N 446.551 4.977 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)c1ccccc1 1534344314 QFQQMSBFTLNOGK-YADHBBJMSA-N 437.609 4.762 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nsc(Cc3ccc(F)cc3)n2)CCCN1C(=O)OC(C)(C)C 1536718032 IBTXPQAVBPBBSA-QFIPXVFZSA-N 446.548 4.552 30 10 IJEE CC(C)(C)n1cc(Br)c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 1538704947 FAULGNOQUGZVSY-UHFFFAOYSA-N 443.370 4.931 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1539140781 WBSOLKXQUHIFSR-GOSISDBHSA-N 425.627 4.989 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@@H]1C(C)C 1539351277 RIDYTXVEMDQNIY-DENIHFKCSA-N 426.630 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1539534574 UGWKALPLQSABCE-FDDCHVKYSA-N 431.625 4.867 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H](c1cccs1)N(C)C 1539563083 GBEFJPIYPSPOGI-BKMJKUGQSA-N 447.652 4.810 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(OC(C)C)CC1 1539624738 VXFYHETWHVMXCM-LADGPHEKSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1539659536 AWZVVTANSNVCEN-CPJSRVTESA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1nc(C(F)(F)F)cs1 1539674095 ISIPNJOCCRQLOI-UHFFFAOYSA-N 427.521 4.856 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CCCC2)CC1 1539847991 KEASOIYIQJMABX-UHFFFAOYSA-N 429.609 4.739 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1539892259 XCILLFDZNTWGCA-GOSISDBHSA-N 437.975 4.787 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 1540098982 OQTOURGTQJVJBK-OAHLLOKOSA-N 439.913 4.638 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CC(=O)NC1CCCCC1 1540180753 ULJOIKKKHMCGTQ-UHFFFAOYSA-N 437.632 4.551 30 10 IJEE CC(C)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C(F)(F)F)O[C@H](C)C2)CC1 1541420338 DIKDKUSIHWZQFR-APWZRJJASA-N 447.505 4.799 30 10 IJEE COCCC1(Cn2c(CC(C)(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CC1 1555439730 DDJNLOBYOYSQHT-UHFFFAOYSA-N 433.600 4.849 30 10 IJEE CS[C@@H](C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H](C)CC#N 1555832239 DDZIVQSJCSKFIW-SJORKVTESA-N 425.558 4.607 30 10 IJEE CC(C)N(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(-c2ccccc2F)s1 1559498831 AEJAYITWSAVKDH-UHFFFAOYSA-N 443.569 4.505 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCC(CCN3CCCC[C@@H]3C)CC2)ccc1Cl 1559595264 CCYOHVICORSWJZ-NRFANRHFSA-N 445.051 4.872 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 1565302448 NGXJLVCFTIXQEX-VQTJNVASSA-N 433.568 4.820 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)C(C)C 1565607796 JRIGVMWXJBDMFB-JOCHJYFZSA-N 444.982 4.582 30 10 IJEE C=CCC[C@H](NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)c1ccc(C(F)(F)F)cc1 1566675835 LZKOKIYPDVDRPU-NZQKXSOJSA-N 430.470 4.677 30 10 IJEE C#C[C@@H](CC)NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1568624961 WMAHSWCLZPPFLR-UXHICEINSA-N 430.548 4.566 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 1583056370 DFYHYTIOEGEOJM-MZYLBHOOSA-N 443.632 4.920 30 10 IJEE C=CCN(C(=O)c1ccc(OC)c(-c2ccccn2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1585016398 SUIHZXFEPUQSSD-DEOSSOPVSA-N 444.531 4.560 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 1586497372 SVNJUQCXEGALFU-JOCHJYFZSA-N 447.579 4.737 30 10 IJEE Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(Br)c1 1586652884 FLTVUFTWFKPJNC-KPFFTGBYSA-N 427.342 4.823 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CCOC)CCCC1 1587931937 GEJFFNXEEIAAMH-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(F)cn1 1588266993 ZJUFXAGMMWMVSV-KRWDZBQOSA-N 441.938 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 1589687898 SLTUJKSRAUDPTH-UHFFFAOYSA-N 427.961 4.894 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1589701307 XKHBXZQIVOSAJZ-RTBURBONSA-N 448.036 4.548 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2OCC)CC1 1594616279 POPDMQAFVFONHH-HSZRJFAPSA-N 439.604 4.601 30 10 IJEE C=CCCCn1c(-c2cnccn2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1594713875 MIVDTWYVYQTSEP-OAHLLOKOSA-N 439.361 4.588 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1595184930 HGIWKSRNZLHUNA-AZUAARDMSA-N 443.389 4.867 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1595461099 NMINAHAKSNBEST-ICSRJNTNSA-N 441.551 4.669 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 1596955204 YCYGVSGKUVDTBF-RTBURBONSA-N 435.738 4.742 30 10 IJEE Cc1cc(F)c(C#N)cc1NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 1597014505 HNFFPSGVNDDDJT-GFCCVEGCSA-N 430.530 4.593 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1611110490 PYHPDDUPCIUNOG-VAMGGRTRSA-N 428.573 4.745 30 10 IJEE CCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 1614423523 HRYKHNLQRDXTFW-YJBOKZPZSA-N 433.478 4.553 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SC)C1)C(C)C 1616087649 FUAYNDHTCFDPNB-FCHUYYIVSA-N 441.645 4.990 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)C1 1617498648 DVIVQWDKWBJHAA-QFIPXVFZSA-N 449.628 4.524 30 10 IJEE C=C1CCC(C(=O)N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)CC1 1617664630 JETIDTSRKKZJRR-SFHVURJKSA-N 430.346 4.833 30 10 IJEE COc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCCC2CCCC2)cc1 1619316344 DGLXBAYWEIWNAT-UHFFFAOYSA-N 437.588 4.966 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(Cn3cncn3)c2)cc1OCC 1620800409 OBWYQLYXNIRDTP-UHFFFAOYSA-N 443.345 4.665 30 10 IJEE C[C@H](NCc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CN(Cc2ccccc2)CCO1 1620809551 DVFALALXOCXWAA-DWACAAAGSA-N 441.575 4.516 30 10 IJEE C[C@@H]1C[C@@H](CO)CN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 1623163822 GDPPEUMUGLABLD-HUUCEWRRSA-N 433.430 4.852 30 10 IJEE N#Cc1ccc(OCC(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)cc1 1625223826 FMAQOJQCKOWKIO-UHFFFAOYSA-N 428.822 4.977 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(Cl)cc1F 1625630812 ZETDEMGOFMCCHZ-CJNGLKHVSA-N 447.747 4.804 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1 1627010487 WLFOWNAWJZTHDW-UHFFFAOYSA-N 441.553 4.522 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12)C(=O)OCC 1627751217 AJTCEIZPUQHNHD-QGZVFWFLSA-N 427.526 4.504 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 1640633193 VTOFIFIJFRJKKO-LJQANCHMSA-N 435.593 4.908 30 10 IJEE C=CCn1c(SCc2ccnc(NC(=O)OC(C)(C)C)c2)nc2sccc2c1=O 1640706552 UITLRYCLQLWPPD-UHFFFAOYSA-N 430.555 4.678 30 10 IJEE C=CCCN(C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)OCc1ccccc1 1642774000 KCHUBFMNJWBPSQ-JOCHJYFZSA-N 430.589 4.803 30 10 IJEE C=C(CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1)C(=O)OCC 1651650696 HPQIYOMEJKFECK-UHFFFAOYSA-N 429.929 4.711 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1653119769 YSIWZSVIKJWSFH-NHCUHLMSSA-N 443.469 4.603 30 10 IJEE C#CC1CCN(CC(=O)N(CC=C)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1 1654837338 BLHLVBUUOBOCMP-UHFFFAOYSA-N 434.392 4.981 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C)c1ccccc1 1658357082 AXKDARGKDYFKMZ-OAQYLSRUSA-N 429.586 4.853 30 10 IJEE CC1(C)CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1664168127 IFSGLNSKNLDDFW-SFHVURJKSA-N 444.519 4.661 30 10 IJEE CC(C)(NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccc(C(F)(F)F)cc1 1665197597 DEFYYHNHPDEQML-UHFFFAOYSA-N 445.356 4.957 30 10 IJEE N#CCCN1CCN(C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 1668158114 BCHIDFPPFJHKCO-UHFFFAOYSA-N 425.945 4.680 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@H]3Cc4ccccc4O3)cc2Cl)c1 1668176495 GYDXUWJXDPAHKR-HXUWFJFHSA-N 433.895 4.916 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc3c(nc2O)CCCC3)cc1 1668189136 BFAGQROXBVHVBG-UHFFFAOYSA-N 442.519 4.633 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)NCCN(CC)CC)c1 1669491126 VBMTXCLJQQQSFB-DYESRHJHSA-N 435.012 4.668 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)[C@@H]1CCCc2ccccc21 1674413261 UDZFTLYNIIZYGT-FGZHOGPDSA-N 437.584 4.641 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2cc(C)ccn2)CC1)c1ccc(C(F)(F)F)cc1 1679305808 RYIGWKDUZMERKK-FQEVSTJZSA-N 432.490 4.948 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 1683979771 RKHLIRXOQUIQQI-ZMYBRWDISA-N 425.342 4.806 30 10 IJEE Cc1cccc(C)c1OC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1686076826 DDZUPQQEADYYGS-NLFFAJNJSA-N 443.547 4.642 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](C)[C@H]1C 1690219563 HGIUCHXTMXJUAK-UAGQMJEPSA-N 449.393 4.960 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCCS1 1690272776 QDPDTFNRNNUHSQ-CEXWTWQISA-N 449.665 4.737 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(F)cn2)CC1 1690402494 DXQJWIONLZJLAC-UHFFFAOYSA-N 442.336 4.692 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690405014 YNXIOJXNPZAEQF-SZPZYZBQSA-N 446.643 4.977 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1690406684 ONVSBOGIDGKUOL-NHCUHLMSSA-N 437.632 4.544 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(C)C)C1 1690475213 JEOCJUGXHUGIMT-IBGZPJMESA-N 433.394 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)SC 1690595042 MSVKZDNOARGXRA-UHFFFAOYSA-N 449.665 4.713 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)N2CCC(C)CC2)cc1 1694506072 APZGTRDWMNVFCP-QFQXNSOFSA-N 434.632 4.758 30 10 IJEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCC1(C)C 1694544812 FEVWSGQACDORAZ-YADARESESA-N 425.552 4.688 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705518380 PNOGXGAEYYKPHS-QFIPXVFZSA-N 436.991 4.672 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(CC)(CC)SC 1705545648 IMQSNKHYGNXYIC-UHFFFAOYSA-N 427.437 4.760 30 10 IJEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cscc1C(F)(F)F 1705581008 UVUNIUJFNUDXFI-UHFFFAOYSA-N 439.466 4.628 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(COC)CCCCC1 1705606578 YLQBZOYRVMIPEP-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1705615740 GSPAUZXJPMGOAQ-ISKFKSNPSA-N 434.609 4.866 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1705706883 AGGTVVYAFLRJHQ-ZWKOTPCHSA-N 439.604 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnccc1OC 1705710940 VBYPUDUFHLLUFN-KRWDZBQOSA-N 441.963 4.926 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCSC2)CC1 1705762592 CXCQXCGXZNAJCC-OALUTQOASA-N 428.602 4.726 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2snnc2C)CC1 1705776311 DCWRDICYCMZRHW-GOSISDBHSA-N 438.601 4.646 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2c(F)cccc2F)CC1 1705777487 BZECDOLHMGQGCN-UHFFFAOYSA-N 429.902 4.917 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ncc(CC)s1 1705836496 VFAGLKLJGXBTGZ-UHFFFAOYSA-N 436.354 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC(C)CC1 1705866176 JHACPOQGHSFYRU-UNMCSNQZSA-N 443.661 4.894 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1705887232 UXPOAGZINAFOSM-ABSDTBQOSA-N 430.980 4.878 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(C)(COC)CC2)cc1 1705911815 QUGSPTIZDXEEQZ-UHFFFAOYSA-N 447.583 4.515 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccoc1 1706917268 BHYVQTZQCVKTHZ-MRXNPFEDSA-N 425.920 4.843 30 10 IJEE Cc1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)no1 1707299056 HIYLPBYFHHSWBM-UHFFFAOYSA-N 442.976 4.699 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1722348336 XKKLAENCBTXKAD-IRXDYDNUSA-N 431.987 4.564 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCS1 1722395123 RBVQYAYSULNHSJ-FQEVSTJZSA-N 447.633 4.736 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC2(CCCCC2)O1 1722415771 GWDXFINCYQWRKB-JOCHJYFZSA-N 436.600 4.815 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C(F)F)C1 1722547145 JLGLZPCGPLNSDG-MRXNPFEDSA-N 440.922 4.975 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1snnc1C 1722595032 ITUCNIJZLGTREI-UHFFFAOYSA-N 435.601 4.828 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCC1(F)F)C1CC1 1722645506 PBJLJESRYBRGRW-KRWDZBQOSA-N 432.515 4.943 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C(CC)CC)no1 1740531270 INOWISSLHZWMMP-GOSISDBHSA-N 448.571 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1740537937 AKVHPVBFNCGTQZ-XKGZKEIXSA-N 445.405 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1N(C)CCCC1(C)C 1740542298 SLSNWQAKTNXEHJ-BEFAXECRSA-N 434.415 4.830 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1740565430 VLGBAJYOYZSOAJ-SFHVURJKSA-N 442.523 4.673 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1740579345 KCLGTXVUYQLHSM-FQEVSTJZSA-N 444.048 4.702 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)c1nc(C)cs1 1740665475 CYAWEDYDVCKBRM-CQSZACIVSA-N 429.977 4.635 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CC12CCOCC2 1740768030 CSHBOFWUIBLCQM-GOSISDBHSA-N 432.515 4.766 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1740789593 HCSPVLWFQCZWAI-TZIWHRDSSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1740827679 HBLUMLVJUIBLKP-AEFFLSMTSA-N 449.368 4.914 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(c3ccccc3)CCC2)CC1 1740834349 SRWSLDLUSSGQMG-UHFFFAOYSA-N 435.616 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC[C@@H]1C 1740844531 KRGHYOAJYIEMPY-HNNXBMFYSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740869610 SLZHCNGQQOCWLC-HXUWFJFHSA-N 436.560 4.558 30 10 IJEE C=CCN(C)c1nnc(CCOc2ccccc2)n1CCc1csc(C(C)(C)C)n1 1740903118 LSANHXNFABYVCA-UHFFFAOYSA-N 425.602 4.519 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCOC(C)(C)C 1740938749 LOWOKLWQJSQPDN-UHFFFAOYSA-N 427.376 4.706 30 10 IJEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1)C(C)(C)C 1748451865 GSOTXYTYEQUEGA-OAQYLSRUSA-N 425.577 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1CCCCO1 1748659416 HBPGQXQVCAMSKV-IRXDYDNUSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1748734503 FKLIXMRNKNMGII-DNVCBOLYSA-N 429.362 4.508 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC[C@H]1C 1748915324 SOQUTXFPGOILIQ-CVEARBPZSA-N 431.378 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)=C(C)C1 1749122415 VSUPINOWZVLIKW-APWZRJJASA-N 446.393 4.563 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cl)=C(Cl)C1 1749123526 FJGRZWLEZJGFBO-YLJYHZDGSA-N 444.366 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC12CCOCC2 1749149981 LBAYRLXPVOXANF-KRWDZBQOSA-N 445.405 4.927 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(N(C)C)CCOCC2)CC1 1749293302 IPJCIWCBHBAGGA-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@H](C)CN1CCCCC1 1749547678 VZWHOUKBNMBERT-HXUWFJFHSA-N 425.596 4.999 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@](C)(O)c1ccsc1 1749560812 BFAMDHMFRIXMKF-RUZDIDTESA-N 445.592 4.949 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)c1cccs1 1749750112 WMDLYZBGJGKUFE-OAHLLOKOSA-N 428.583 4.852 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2cccs2)C1 1751275939 ABOZFYQGNPRXDY-QFIPXVFZSA-N 441.988 4.945 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)[C@@H](C)CC 1760099880 NGSNKNHTYJKRCS-LZJCXSABSA-N 433.600 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ncc(CC)s1 1760104095 RSMZCNMJIJBIPH-HUUCEWRRSA-N 425.627 4.657 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCN1CCC[C@@H](C)C1 1760297498 WLARQWKRYSLTIK-YIXXDRMTSA-N 433.644 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cnn(Cc2ccccc2)c1 1760339745 URRBBKWULPNIMY-UHFFFAOYSA-N 432.597 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(C)(C)O)cc1 1760340216 PBKJAAUPTDCSNR-FGZHOGPDSA-N 440.632 4.875 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1760352933 BUOOBJYSUYVNLW-SFTDATJTSA-N 425.602 4.520 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([S@@](C)=O)CCC1)C1CC1 1760469327 DPXVYDGTWPUCRN-SSEXGKCCSA-N 426.630 4.699 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@H](C)c1nc(C)cs1 1760499268 SWNUAHJIKZYTEW-RXVVDRJESA-N 437.613 4.586 30 10 IJEE CC[C@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(CC)(CC)OC 1765071340 HNTJERNGFYVDCA-QUCCMNQESA-N 425.577 4.559 30 10 IJEE CC1CCN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4ccccc4)n3)c2)CC1 1772723712 AXWGSBPZHAPDQI-UHFFFAOYSA-N 440.594 4.677 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1c(C)ccc2ccccc12 1861900854 BEAFKKIOHBOSSW-DEOSSOPVSA-N 430.523 4.829 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862589516 MOZMYZIRXFPOKC-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(O)cc2)cc1F 1862638466 BNJDNIUPAUOJSA-JOCHJYFZSA-N 439.483 4.841 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 1862689481 RRLDFIBLYHVNKM-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2cccc(OC)c2)c1 1862702505 DVYWCICVXGGORK-QFIPXVFZSA-N 449.528 4.586 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862729335 WNQWYCNPVQMWDI-QFIPXVFZSA-N 444.443 4.566 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccccc2F)C(=O)N(c2ccccc2C#N)C1=O 1862934288 OTOKNPSVRYXQSW-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE Cc1cc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100520 RNXXBFFRVSNVGV-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE Cc1cc(Br)c2nc(C(=O)Nc3sc4c(c3C#N)CCC4)cc(O)c2c1 1866541253 IIPAYQLEHVOPED-UHFFFAOYSA-N 428.311 4.686 30 10 IJEE CCCCCCOc1ccc(C(=O)N[C@H](CC)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc1 1867570099 XRQTXBYUVOMQSL-DNQXCXABSA-N 435.568 4.844 30 10 IJEE C=CCOc1cn(CCc2ccc(F)cc2)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870809593 KZNANCOWPMPKAB-UHFFFAOYSA-N 437.471 4.624 30 10 IJEE CCCCCCCOc1cn(CCOC)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870831563 DYFNDDKVKLRFLS-UHFFFAOYSA-N 445.560 4.927 30 10 IJEE CCCCCCCOc1cn(C[C@H]2CCCO2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870833558 NZVZHDAGXPZJFC-JOCHJYFZSA-N 443.544 4.897 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1ccc(Cl)cc1 1871159149 GOQFYIMHBCICIL-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1ccc(C)cc1C 1871198211 OWSBBSKQGXOXSH-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)nc(Nc2ccc(OCCC)cc2)[nH]1 1871726489 BUDCKNBGFBRXNB-UHFFFAOYSA-N 444.583 4.925 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871754382 VENCDVFLRRHRST-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872243511 SFMASPPDGWVTIR-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1872605369 STNBNNWAPFDQJP-GOSISDBHSA-N 437.433 4.917 30 10 IJEE CC(C)Oc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872773935 BWGDVAMXQFIACJ-IBGZPJMESA-N 434.517 4.787 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C(=O)OCCCC)cc2)[nH]1 1873469664 ANPSRICHBYPCCO-UHFFFAOYSA-N 442.523 4.536 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(NCCc3ccc(C)cc3)ncnc21 1873616853 LBDVFJPIENJDJA-UHFFFAOYSA-N 441.535 4.841 30 10 IJEE Cc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)c1 1874436788 AZWOBVPFPYUQJN-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)cc2)c(C)c1 1874458015 SQAPPRBNWQJTCM-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(CCOC)nnc2SCc2cccc(C)c2)cc1 1874471838 ZMPQKKITQBFIAZ-KOEQRZSOSA-N 437.613 4.796 30 10 IJEE CC(C)c1nnc(SCCO)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874517222 OMPSHNBEVOEUNQ-YDZHTSKRSA-N 430.961 4.601 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)cc2Cl)c(C)c1 1874541058 JRDKSRPFKSZANR-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1 1874694976 FDRKVCKRFDPBEY-CMDGGOBGSA-N 448.387 4.627 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 1874753519 JCOGRYHXNJMLPB-UHFFFAOYSA-N 427.342 4.948 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOc3ccccc3)c([N+](=O)[O-])c2)cc1 1875114004 JGUNBQOVUSINSE-NTUHNPAUSA-N 447.443 4.874 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 1891236227 ANLCNRAKQGSQKM-QGZVFWFLSA-N 449.378 4.806 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CCc3cccc(-c4ccccc4)c3)C2)c1 1891418708 UAFCVBGFUVFTDP-QHCPKHFHSA-N 425.532 4.870 30 10 IJEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)c1ccccc1 1984691044 TWHDJAPBNDIYAE-IBGZPJMESA-N 439.515 4.860 30 10 IJEE C=C(Br)CCOc1c(Br)cc([N+](=O)[O-])cc1Br 1999697750 GVQUMKRULNICKX-UHFFFAOYSA-N 429.890 4.797 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NC 2028842656 HTOQXASOFUABHK-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE CN(C)S(=O)(=O)c1ccc(Cl)c(N=CC(Br)=Cc2ccccc2)c1 2040467017 SAHAMNFJJDDHEC-UHFFFAOYSA-N 427.751 4.729 30 10 IJEE CCc1nn([C@H](c2ccc(C)cc2F)C2(C)CC2)c(I)c1/C=N/O 2079043052 VLWJPQFZZIOFNZ-PPAWOMOGSA-N 441.288 4.695 30 10 IJEE CCc1nc(Br)c(Br)n1Cc1ccc(Br)cc1C#N 2087647499 MHAWNQFBAKSKAC-UHFFFAOYSA-N 447.956 4.653 30 10 IJEE CCC[C@]1(CNc2cc(Br)cnc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2167618188 XHPYUVUZCLSFDJ-HXUWFJFHSA-N 437.382 4.945 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(c2cc(Br)ccc2C#N)C1 2174815732 WNPHWYRVYLTBIA-FUHWJXTLSA-N 434.378 4.937 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1Br 2180953629 ZUDJLXUQDOPYPK-ZDUSSCGKSA-N 449.267 4.713 30 10 IJEE CC(C)(C)OC(=O)NCC1(CC(=O)Nc2ccc(C#N)c(Br)c2)CCCC1 2181106034 QVNIOSHTNDJYKC-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE C=CCCC[C@H](NN)c1sc(Br)c(Br)c1Br 2212190565 YYAJXKAYCSPWHZ-LURJTMIESA-N 433.007 4.896 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2235732454 SGETXLHUCQLWTK-HKUYNNGSSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@H](N)C#Cc3ccccc3Br)cc21 2235748179 XIPXNTWTUXRNIG-LJQANCHMSA-N 427.342 4.798 30 10 IJEE CC1(C)OB(c2ccccc2C(=O)N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241478167 ZMKAQYWINKPZFM-UHFFFAOYSA-N 427.353 4.828 30 10 IJEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1F 2255835912 ZKNDAKDFEABECX-GOSISDBHSA-N 425.353 4.874 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2278790183 RFDVTVHVGZXAJH-KRWDZBQOSA-N 438.387 4.501 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2296217917 ZBLXEVZWLFPGPP-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CCC[C@]1([C@H](O)C#Cc2ccc(Br)cc2)CCCN(C(=O)OC(C)(C)C)C1 2296276856 MMYMTSUMRORPKG-KNQAVFIVSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)[C@H](N)C#Cc1ccc(Br)cc1 2296296310 MIKPNYFVYVJPOS-HUUCEWRRSA-N 449.311 4.610 30 10 IJEE Cc1nc2ccccc2n1C(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 2297498184 BNUTYRYMQNEDKD-UHFFFAOYSA-N 427.888 4.821 30 10 IJEE C[C@H](CCN(C)C(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317335237 CFAAMVJFBLGFAI-ABDJAZHISA-N 431.386 4.784 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)C1(NC(=O)OC(C)(C)C)CCCCC1 2318890394 FYIMJEQOIIAMFM-PKTZIBPZSA-N 446.632 4.716 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cccc2ccccc12 2320971005 WHEUNXDRIJWXKC-UHFFFAOYSA-N 429.549 4.915 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2ncnc(Cl)c2C#N)c1 2321005262 IPGGAMZMELRMIH-UHFFFAOYSA-N 425.670 4.903 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccccc2OC(C)C)cc1C 2321079998 WCHCRBLCNPBQFU-UHFFFAOYSA-N 437.569 4.604 30 10 IJEE COc1cc(C=C2Oc3c(ccc4c3CN(CCC(C)C)CO4)C2=O)cc(OC)c1OC 2322234962 SJVWQJNHYNKVEL-UHFFFAOYSA-N 439.508 4.527 30 10 IJEE COCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Br)cc2)C3=O)C1 2322330991 IIBAOIKPTGNCCW-UHFFFAOYSA-N 444.325 4.562 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=Cc2ccccc2OC)C3=O)C1 2322377416 FTTVYGRLRLGLCU-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCCCO)cc1 2322612699 ATDNVUFZMADAGV-UHFFFAOYSA-N 449.341 4.904 30 10 IJEE CCCN(CCC)C(=O)COc1ccccc1C=CC(=O)c1ccc(OC)cc1OC 2322901553 MFZSRTYYAHMMMK-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE CCOc1ccccc1-c1nnc(S)n1N=Cc1cc(Cl)c(OCC)c(OCC)c1 2323524649 TYGOYZRRYDZHAQ-UHFFFAOYSA-N 446.960 4.966 30 10 IJEE CN(C)c1ccc(C=C2Oc3cc(OC(=O)CCOc4ccccc4)ccc3C2=O)cc1 2323679983 VIOSFCMPFSMVHQ-UHFFFAOYSA-N 429.472 4.743 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2325704848 IZTNCHJICMCLNE-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)c1 2325750904 LYGFDAMIFWQXCI-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1O 2326136983 UCKLAFBZQZXFMK-UHFFFAOYSA-N 428.945 4.993 30 10 IJEE CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1cc(Cl)ccc1O 2326823883 ZCOHRHNRHLHYCR-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc(OC)c(O)c1 2327117305 LUUWWQTXIPWEBI-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccccn1 2328219293 XOOFAYGXKBAEOF-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)OC)cc1 2329121073 ZYRBCGZYNXFDIJ-UHFFFAOYSA-N 428.945 4.693 30 10 IJEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc(O)c(O)c2)cc1 2329956708 CVGKUUVGQSPTFG-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCCc2ccccc2)nnc1[C@H]1CCCO1 2330970294 XMADHISFOXCHLY-LJQANCHMSA-N 428.945 4.706 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1O 2330993549 YFUVNGBCHWVVOJ-IBGZPJMESA-N 444.944 4.672 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(OC)c1OC(=O)c1cnccn1 2331348774 RLEOYALBRATRMQ-UHFFFAOYSA-N 432.451 4.777 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2)o1 2331450633 HSYJXAQYZCDHDA-UHFFFAOYSA-N 430.505 4.560 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)c(C)c1C 2331616282 CNUHIRHTRPWPMI-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C(C)C 2331670114 WTSTVLDLMWDWQY-UHFFFAOYSA-N 437.569 4.803 30 10 IJEE C[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C)CN1C(=O)OC(C)(C)C 2339574764 MPDVEPDVHGMMGC-IZGBJUCLSA-N 443.397 4.560 30 10 IJEE C[C@@](C=O)(Cc1ccc(I)c(Br)c1)c1ccccc1 2349918921 YUTKQJXCSLACJS-INIZCTEOSA-N 429.095 4.753 30 10 IJEE CC#CCN(C[C@H](Cc1cc(F)ccc1Br)NCCC)C(=O)OC(C)(C)C 2363128835 NDMIVSDFEROPER-SFHVURJKSA-N 441.385 4.759 30 10 IJEE Cc1cc(CN(C)C[C@@H]2CCCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369736723 DAOONEFVJJJOAC-VWLOTQADSA-N 448.460 4.638 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 2370043851 AGLKZLOFYLHOFD-AWEZNQCLSA-N 449.267 4.713 30 10 IJEE Cc1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)cc(=O)[nH]1 8383355 BVRNWJLPRYUONJ-UHFFFAOYSA-N 444.603 4.543 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N1C 8816394 ZYHJZIKYGOYRQE-GOTYSUTNSA-N 431.945 4.556 30 10 IJEE C/C(=N\OC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O)c1ccccc1 12615246 PBYHZTBIBPTECE-JFNQZVQLSA-N 444.512 4.694 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccccc2C)c1C 32973175 FPDVDMVNBUXTTH-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE CC(=O)Nc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1 33321228 WOVYXZVKACBIJP-MWTRTKDXSA-N 429.476 4.605 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 34954435 GXZFBJOTJFXCNJ-LHHJGKSTSA-N 433.416 4.727 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 35443294 ZKYHFJGOZIPVGN-NSXGMPHASA-N 433.548 4.999 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)Nc1cccc2ccccc12 59015062 YLJHGAGKDCOFEI-FSJBWODESA-N 436.928 4.788 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OCC)cc2)c(C(=O)OCC)c1C 96512941 SIDUEXAUMOTJLM-JLHYYAGUSA-N 443.521 4.627 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCC)cc2)S/C1=N/c1ccc(Cl)cc1 101613906 WKYMPHHJPZOWPK-YPYXJLKGSA-N 443.956 4.885 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(Cl)cc2)cc1C 103104838 MWPHMHTYNMXNTD-LYHOESIGSA-N 440.908 4.740 30 10 IJEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922201 JGTYIWKZLWFHPT-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 170047982 KLCRKCFVSHMZAM-XMMPIXPASA-N 442.515 4.853 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170077127 QRNDYKZDEHVLGF-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2ccco2)cc1 170097136 NSCBMFTYAQHVEW-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(C)o2)cc1 170101421 PGPYGTBNYKRNBL-OAQYLSRUSA-N 448.431 4.678 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@H]1c1ccc(O)cc1 170136999 IPIHLXYHSKPTQO-QGZVFWFLSA-N 436.291 4.696 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1Cl 170162456 UOFGXTQCPMIUKX-GOSISDBHSA-N 429.881 4.782 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2cccnc2)cc1 170185270 XRTUMXASZQBBPM-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccco2)cc1 170280097 KDIISEJHPXJVAQ-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)o2)cc1C 170310646 SIFNIEXOGMXGOX-QFIPXVFZSA-N 441.524 4.689 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2C)c1 170398876 YQPJKNMVLSCPRV-QHCPKHFHSA-N 441.483 4.955 30 10 IJEE N#CCCn1cc(/C=C\C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c2ccccc21 210342781 KMXKKIDNOWPFGG-WDZFZDKYSA-N 431.511 4.572 30 10 IJEE N#C[C@@H](c1ccccc1I)[C@H]1CCN(C(=O)OCc2ccccc2)C1 309699827 AEPRIMXSGUCRHZ-FUHWJXTLSA-N 446.288 4.557 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCCCC[C@@H]2C(=O)O)cc1OC 426743885 BKOAOPNGFOKTMR-RDJZCZTQSA-N 426.351 4.536 30 10 IJEE C=C(C)C[C@H](C)C(=O)Nc1cccc(C(=O)N2CCCN(C(=O)[C@H](C)CC(=C)C)CC2)c1 467115819 DQBIYSZGOVSYHP-LEWJYISDSA-N 439.600 4.504 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](CCCC#N)c1ccccc1 487289667 WEBKZSCHJWOHKL-LJQANCHMSA-N 429.314 4.582 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@]2(C1)OCc1ccccc12 508474997 XJHYYEXVPWDCJF-AVRWGWEMSA-N 434.515 4.769 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 508882125 VCTILFILDORQBZ-FQEVSTJZSA-N 445.611 4.585 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 521953041 LUYFXSASZSTZEM-UHFFFAOYSA-N 426.472 4.628 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl 525065194 PIANWJUGFIMHHQ-UHFFFAOYSA-N 444.919 4.997 30 10 IJEE CN1CCC[C@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H]1c1cccs1 525551740 DZJLVUJRFPHAAK-WZONZLPQSA-N 435.549 4.605 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3cccc(OCC)c3)C2)c1 586006737 TWIBRQLATVXSNO-HSZRJFAPSA-N 449.595 4.958 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)C[S@](=O)Cc3ccc(Cl)cc3Cl)c2C#N)C1 586346997 JMQOFIWSTMTALK-YBOJIHHZSA-N 441.405 4.939 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3C)cc2C1=O 604945243 LAHIHZAGXVOEPK-UHFFFAOYSA-N 426.472 4.608 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398212 ASPFRSIHOQQZSR-QGZVFWFLSA-N 447.516 4.567 30 10 IJEE C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(N2CCCC2=O)cc1 734101730 FAMJJJBTYZAGDS-IBGZPJMESA-N 439.515 4.755 30 10 IJEE CC(=O)c1cccc(O[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 745313890 ZHZGRJFCJSJVBA-CZUORRHYSA-N 426.444 4.935 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1C#N 752203363 FKFZMOGRIFXAEK-UHFFFAOYSA-N 449.536 4.591 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1ccc(Cl)c(F)c1 921298001 PQCQWAHZXZJMGD-KRWDZBQOSA-N 439.737 4.761 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(Oc4ccccc4)c(F)c3)cc2C1=O 1125273876 UCUKMBYFKLMYBV-INIZCTEOSA-N 444.462 4.891 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3cccc(Cl)c3)ns2)CCCN1C(=O)OC(C)(C)C 1125544175 WCXWWORQKLGVOQ-OAQYLSRUSA-N 446.960 4.590 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1 1125713778 RJHYGMDIXBTWAZ-UHFFFAOYSA-N 428.532 4.912 30 10 IJEE C#CCN(C(=O)[C@H]1COc2cc(C)c(C)cc21)[C@@H]1CCOc2ccc(Br)cc21 1126230516 ZJIGRUYNSXTXDM-VQTJNVASSA-N 440.337 4.528 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1nc(Cl)c(C#N)s1)C1CCCCCC1 1128933055 HWVDDYJXGYHDKV-CYBMUJFWSA-N 426.970 4.718 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)cc1OC 1129573547 YMOIZUHKDYOCGH-FYWRMAATSA-N 441.549 4.628 30 10 IJEE C=CC1(CC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)CCCCC1 1129611255 HILFMMPXZZDKMA-UHFFFAOYSA-N 430.036 4.980 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc2sc(C(=O)OCC)c(C)c2s1 1130437832 CRVZPMRESAHHGH-UHFFFAOYSA-N 432.523 4.669 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)s1 1131462614 QAEPFKKONAUPSM-UHFFFAOYSA-N 434.930 4.934 30 10 IJEE C=CCC1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)CCCCC1 1152163044 YHZHVTONWCMUAC-UHFFFAOYSA-N 444.553 4.667 30 10 IJEE C=CCN(Cc1ccccc1F)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 1167137557 AOAUKLRVPWQDNK-INIZCTEOSA-N 425.529 4.973 30 10 IJEE C=CCN(CC=C)[C@@H](CNCc1cc(Br)cc(Br)c1O)C(C)C 1177226662 UVERNEXHCBRMJZ-KRWDZBQOSA-N 446.227 4.705 30 10 IJEE C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccc(Cl)cc1 1209641470 BQQPJJUBTADEBI-XNAIMREJSA-N 439.762 4.650 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C(C)C 1211222810 PATDPFUWXPEMIP-HMXCVIKNSA-N 434.422 4.693 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1214637741 JNJFJSPJLYAKDJ-UHFFFAOYSA-N 438.450 4.792 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C(C)C 1216094761 FYNCLTDKMWBUPA-IBGZPJMESA-N 435.494 4.711 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1 1252458640 LPWDUJFYZMFIMD-KRWDZBQOSA-N 441.247 4.864 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3ccccc3n2-c2ccccc2F)c(OC)c1 1265522045 BAAXOKLPKSGCLR-UHFFFAOYSA-N 431.467 4.919 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(F)c(Cl)c1 1286306476 UPDIRRWGGBWCLU-WRWLIDTKSA-N 448.970 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1286556697 FAGNQMPFJWQEJX-RXVVDRJESA-N 447.048 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nc(C2CC2)cs1 1286569515 TWCQKIUDAQKJIH-UHFFFAOYSA-N 439.585 4.747 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286570429 YQZQGDMZOCONTL-YESZJQIVSA-N 432.410 4.885 30 10 IJEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC=C(C)C)CC1 1286644680 FWIMIGHXXIVMIL-UHFFFAOYSA-N 432.572 4.749 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1286649679 VYLABGDRROIQGV-UHFFFAOYSA-N 440.588 4.631 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)CC)CC1 1286656312 VNCYEBCMUCMSOJ-UHFFFAOYSA-N 428.577 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1286672608 GGXNLIMRUXSBBV-OAQYLSRUSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)CCC)CC1 1286682316 JYHFEYKDAJGZGN-UHFFFAOYSA-N 447.986 4.979 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1286736582 DXDXZANNSQRIBJ-SFHVURJKSA-N 429.609 4.738 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC1CCN(CC(F)(F)F)CC1 1286756477 YRFJEUMLDQALCU-UHFFFAOYSA-N 447.549 4.960 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286772588 KDMZZFRXIYFPLO-IRXDYDNUSA-N 445.995 4.914 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)C1CCCCC1 1300282378 HQAXOCPMKRXOEK-DPOKWSEZSA-N 440.657 4.921 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1300352609 NJFZGDBCFNAJCC-OALUTQOASA-N 442.629 4.876 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C2CCC1(C)CC2 1300361057 AKDJRGFPCCMHNR-IXCHTMLJSA-N 441.620 4.717 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(C)o1 1300897120 OGKXFDYEGKLJEY-HYBUGGRVSA-N 436.556 4.685 30 10 IJEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1300993580 CJHMZDLWZXPUTQ-UHFFFAOYSA-N 445.611 4.723 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(F)F)C1 1301019225 RLQZLPRFMKTNON-CYBMUJFWSA-N 431.712 4.942 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1301089299 RKDQYHQRCSFFGH-UHFFFAOYSA-N 430.980 4.886 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=C)Br)CC1 1301119990 CVNSICMSBNQULY-UHFFFAOYSA-N 440.345 4.911 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cscn1)c1ccccc1 1301168920 WRJIFQAKORMPHG-OAQYLSRUSA-N 447.612 4.593 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 1301220562 COJMOMRHGSBGBS-IBGZPJMESA-N 429.565 4.588 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1301313466 AJIMENHNHYQQLV-XDHUDOTRSA-N 428.552 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCN(C)C1CCCC1 1301350858 BFMAHTKREPWNNW-UHFFFAOYSA-N 434.563 4.546 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1cccc(N(C)C)c1 1301411186 UMUXLSDWJAMOMD-UHFFFAOYSA-N 442.567 4.591 30 10 IJEE C=CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H]1CCOC1 1301597554 SJXZFILMKZKEQN-GOSISDBHSA-N 441.626 4.521 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 1301601989 WMXBQITZYCNGEN-UHFFFAOYSA-N 432.037 4.582 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1301615355 MGZOWKQBAJXCIJ-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE C=CCSCCn1c(N2CCC(Oc3ccc(F)cc3F)CC2)nnc1C(C)(C)C 1301621402 XQMQBXPQTFJQQL-UHFFFAOYSA-N 436.572 4.821 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(CC(C)C)C(C)C)CCOCC1 1305912330 GOFFSOKGLBXVNP-UHFFFAOYSA-N 439.604 4.806 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1 1306409147 HWWCIZFHJRTXEG-IPMKNSEASA-N 433.478 4.726 30 10 IJEE C=CCn1c(SCc2cc(OC)ccc2Cl)nnc1[C@@H]1COc2ccccc2O1 1307263207 BHNPKBUZVNXROH-IBGZPJMESA-N 429.929 4.931 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@@H]3CCC(=O)N3)c2)cc1OC 1308437031 LEERFSKGFYVGPN-SFHVURJKSA-N 431.330 4.586 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 1311482791 PDURQABGBULSQA-IBGZPJMESA-N 427.504 4.511 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)[C@@H]1CCCc2ccccc21 1311783440 IMHAOYWBWJYBJK-AFMDSPMNSA-N 449.570 4.570 30 10 IJEE CCO[C@H](CCn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1)C1CCCC1 1314066473 GIILSDNBGAKACZ-HSZRJFAPSA-N 439.579 4.733 30 10 IJEE CN(C)C1(Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)CCCCC1 1314652143 DCXNRVKNYOPDTC-UHFFFAOYSA-N 441.023 4.993 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C(\C)c2ccccc2OC)c(C(=O)OCC)c1C 1352311128 DVCGYSRRWPBTMH-BUHFOSPRSA-N 443.521 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1358879188 MLRHSTJORZXIMS-XLIONFOSSA-N 440.016 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1csc([C@@H](C)OC)n1 1359068116 OLWXPKIKXMZNMP-IVZQSRNASA-N 441.988 4.803 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cc2ccccc2s1 1359106754 PIQWHQRLWGDFAZ-UHFFFAOYSA-N 425.602 4.862 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@H]1CC 1359149674 GCGHREKWJWOSNG-CGTJXYLNSA-N 438.016 4.770 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1)C1CC1 1359253324 APJSBEYRLMLKSW-LJQANCHMSA-N 444.023 4.786 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1359473496 CXHFFMIOLFODQA-JUXOCIIHSA-N 444.023 4.959 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1360556811 DRTLXQALUAHXIO-SQGPQFPESA-N 446.291 4.816 30 10 IJEE C=CCOc1ccccc1CNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21 1360572221 YADJNULTTRMXAJ-UHFFFAOYSA-N 446.473 4.763 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1OC 1361160941 RFWJIZNZWMNCQK-CKLWSYQGSA-N 446.591 4.788 30 10 IJEE C#C[C@@H](NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1F 1436655037 QJJKCRCNTOCNJN-HSZRJFAPSA-N 448.925 4.956 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nc2ccccc2c1=O 1458800552 RJQLDVUMSYGAEG-SFHVURJKSA-N 446.359 4.787 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 1460572946 UEVNUHWKANTLFK-INIZCTEOSA-N 436.350 4.685 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c1 1465382669 MYKQIWQQPUEUAL-FQEVSTJZSA-N 443.466 4.705 30 10 IJEE C#CCOc1cccc(NC(=O)N(CCCNC(=O)OC(C)(C)C)CC2CCCC2)c1 1465628611 PJWTXPDNRJZBHG-UHFFFAOYSA-N 429.561 4.638 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 1466816807 ONVAOSZLDJPDRN-ZBSNKRKSSA-N 437.359 4.634 30 10 IJEE C=C(C)CCNC(=O)c1ccnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1468244345 CJVJSEYLJVLNOL-UHFFFAOYSA-N 441.531 4.816 30 10 IJEE C[C@@H](NC(=O)NCc1ccc(OCC2CC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 1468519442 CGWQTFXRTMFDSW-GOSISDBHSA-N 426.520 4.969 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)C[C@H]1CCCO1)c1ccc(Br)cc1 1470663470 OHUPPDTZOXNMNA-RTWAWAEBSA-N 427.342 4.514 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1470786277 HZJMXGIYLBTSDC-MISYRCLQSA-N 427.593 4.562 30 10 IJEE C#CCN(C(=O)Nc1ccc(-c2ccncc2)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1476684843 KSWUMWDNBNNKNG-UHFFFAOYSA-N 448.567 4.924 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1495996851 GDUNOKURSKEPEM-CYBMUJFWSA-N 434.491 4.823 30 10 IJEE CN(CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCC1 1503605287 HNBGBFLGBOEKSK-QHCPKHFHSA-N 426.996 4.603 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccsc1)N(CC)CC 1507542693 SAMSSWHPHXPPLD-XLIONFOSSA-N 427.643 4.533 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1c(C)nn(C)c1C 1507556596 JQFDAKVLQYJETK-JOCHJYFZSA-N 448.615 4.825 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)SC 1507643584 WYDSYWNKXUUDBX-QZTJIDSGSA-N 431.005 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CC)CCC1 1507805548 CJJQQPDNWVEJFZ-UHFFFAOYSA-N 429.996 4.844 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1507903671 FDQHUMUQGGEYRT-DYESRHJHSA-N 429.634 4.632 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)SC 1507998523 CJDZZNVDMKQCSK-INIZCTEOSA-N 438.988 4.809 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1508000820 DWBRSDPZMLYSJE-OYRHEFFESA-N 439.648 4.656 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)s1 1508034539 XHMZOQIQOGXPIQ-MRXNPFEDSA-N 432.977 4.763 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)s1 1517046502 XUUHZUCLFYBHQB-UHFFFAOYSA-N 434.930 4.934 30 10 IJEE C=CCN(C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1522119135 KUWXFGXYCGDELA-IEBWSBKVSA-N 445.560 4.924 30 10 IJEE C=CCN(C(=O)/C=C/c1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1522165350 HDNWNAMAQPKLTR-JLVIMGNISA-N 431.454 4.908 30 10 IJEE C=CCN(C(=O)/C=C\Sc1cc(F)ccc1F)[C@H](Cc1ccccc1)C(=O)OCC 1538618098 CSTMHCGMMXHXKW-XYELWLDHSA-N 431.504 4.760 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2ccco2)C1 1539094667 SOSCZCFKVJEAKA-NFBKMPQASA-N 434.540 4.619 30 10 IJEE C=C(C)c1cccc(NC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)c1 1539121216 BTDIFNTZRLTUIG-NRFANRHFSA-N 440.341 4.649 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1539567394 WIPDQYGUPHTXLG-BYXVTNLJSA-N 436.600 4.814 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1539903090 RQCYEHTUQMSTOC-KRWDZBQOSA-N 444.551 4.549 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(C)cccc2C1 1539980985 CWUWVZQXJYOQII-UHFFFAOYSA-N 440.389 4.883 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)CC1)C(C)C 1540147898 PJEOCZAAKDRJIQ-DEOSSOPVSA-N 432.616 4.752 30 10 IJEE C=CCC1(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCOCC1 1540671243 JJSXSZKWXKSZRI-JOCHJYFZSA-N 448.563 4.806 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC)C1 1540916017 RBCVNRNHKUXSJJ-RTBURBONSA-N 449.665 4.548 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1540919587 SQZXLFHBEWTHGS-GOSISDBHSA-N 445.683 4.999 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 1544273154 GWTLUKPUSZZTCB-OFNKIYASSA-N 434.632 4.810 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 1545702929 UDXHYPKILROQIP-IAGOWNOFSA-N 433.936 4.917 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cc1OC 1545915908 LWAWSUREKJLJRU-UHFFFAOYSA-N 426.476 4.964 30 10 IJEE C=C(C)CN(Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1)Cc1ccc(CO)o1 1560825351 JYMDXLAHAKWQDQ-UHFFFAOYSA-N 447.507 4.770 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1562943754 HHMUZUUFQDPGHE-KDOFPFPSSA-N 425.382 4.824 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1583549261 HRKHLJMXXVWXQD-TZIWHRDSSA-N 442.918 4.944 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)s1 1584197701 ACYJXHWTTAXJKT-PXAZEXFGSA-N 429.032 4.719 30 10 IJEE N#CCOc1cccc(CC(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)c1 1584870151 GSHYRTAFHONURR-UHFFFAOYSA-N 430.689 4.734 30 10 IJEE C=CCc1cc(C(=O)Oc2cnc3ccc(Br)cc3c2)cc(OC)c1OC 1585297389 PXLQTMAXQYSAHN-UHFFFAOYSA-N 428.282 4.962 30 10 IJEE COc1ccc(-c2nccnc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 1585986290 CJQWJUJLRXUBIQ-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCN(C)C1CCCCC1 1587645681 MCHCMGVVBVKJHZ-LJQANCHMSA-N 428.024 4.635 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C(C)(C)C1 1589317878 WUIOPIUYPMUAMH-ZDUSSCGKSA-N 434.338 4.634 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1593711847 JXWGUIUBOGSLKP-OFNKIYASSA-N 437.632 4.508 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)c1ccccc1 1594546312 YCARUFCUNPAQOU-CTNGQTDRSA-N 449.565 4.909 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1csc(CC)n1 1594624737 AIZVCSXDXVGFRP-HXUWFJFHSA-N 439.585 4.802 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1C(F)(F)C12CCC2 1594906620 KCOXKQPMJGTOAJ-GFCCVEGCSA-N 429.334 4.827 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccc(F)cc1 1595142014 OGJXDUNGNCQQJW-HSZRJFAPSA-N 428.577 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(C(F)(F)F)c1 1595191687 VNXOQIYRDLPZQI-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1595222488 BKGGREZGFUOLTJ-SFHVURJKSA-N 433.625 4.985 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1597190728 LJHSIZXVTYXHDL-RXVVDRJESA-N 431.363 4.902 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1606957266 DTFHWJRLJXVWQH-LJQANCHMSA-N 444.624 4.569 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1611679828 GWOPZPDQVKAXDK-SFHVURJKSA-N 448.972 4.720 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c(F)c2)nc2sc3c(c2c1=O)CCCC3 1613283300 APGSQMWICVVWEM-UHFFFAOYSA-N 444.553 4.741 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)o2)cc1 1613611446 HMADCUQJQGTRCO-SFHVURJKSA-N 445.903 4.992 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 1618463069 PFDDIBNRIVOWCG-UHFFFAOYSA-N 425.536 4.970 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 1618480029 FGLVJKMOPHCWSF-NEOYCHAESA-N 432.564 4.929 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)/C=C(\C)c3ccccc3C(F)(F)F)c2C#N)C1 1618706093 QOXIHKYOKQZPOB-FMIVXFBMSA-N 433.455 4.585 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)c2ccco2)cc1 1622245710 GHXFHGQWDUMYEK-OAQYLSRUSA-N 438.530 4.751 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)CC1 1623740282 MOVKJYFYHDRJMU-UHFFFAOYSA-N 440.956 4.961 30 10 IJEE Cc1ccc(F)c(CCNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 1624264025 BDAIIGONFPAGFJ-UHFFFAOYSA-N 447.535 4.709 30 10 IJEE C=CC1(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)CCCCC1 1628470132 NRFKVZDFXROPIF-VWLOTQADSA-N 448.582 4.965 30 10 IJEE C=CC[C@@H](NC(=O)c1cn(-c2ccccc2Cl)nc1-c1ccc(C)cc1)C(=O)OCC 1632656222 LXSFKYUSACCRSK-HXUWFJFHSA-N 437.927 4.739 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 1634692917 FITAHHNCYGWBOT-IYARVYRRSA-N 429.351 4.643 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1635343725 WMEOCBHTBVLLMH-OAHLLOKOSA-N 436.364 4.965 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(c3nc(-c4ccccc4)no3)C2)s1 1639080511 HBVASIZSRNSEEU-UHFFFAOYSA-N 446.985 4.515 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c1 1645386220 HZUYOAPBNMASRR-FQEVSTJZSA-N 429.442 4.562 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)OC 1652430982 LCVDSADOJXNTTK-KRWDZBQOSA-N 426.563 4.536 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)OC 1662573876 PDLPPBGWBNTFRM-IFXJQAMLSA-N 447.329 4.686 30 10 IJEE C=CCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCCC1)c1ccc(C(F)(F)F)cc1 1662981101 SIFNADWCOJHVRR-SFHVURJKSA-N 447.519 4.756 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)CCc1ccccc1F 1663876268 ARDXLHYFRGDRKQ-UHFFFAOYSA-N 443.384 4.868 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)C3(CNC(=O)OC(C)(C)C)CCCCC3)cc2n1 1664853504 HXFBIASLOOEHCD-UHFFFAOYSA-N 441.576 4.914 30 10 IJEE C=CCC1(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCCC1 1666079684 HQMCLGRLZYEPKZ-UHFFFAOYSA-N 425.495 4.620 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)cc(OC)c1OC 1667710927 BQQGOIFABJULDS-AWEZNQCLSA-N 438.446 4.891 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)c2cn(C(C)C)nn2)cc1 1668066095 HBYVFXVFLAGNGB-UHFFFAOYSA-N 434.500 4.588 30 10 IJEE C=C1CCC(CNC(=O)NCCSCCOc2cccc(Br)c2)CC1 1669109921 FGJMHJGCRNPGOW-UHFFFAOYSA-N 427.408 4.607 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(OC)cc2OC)cc1 1670084394 FVPOGAMUFATNOT-XMMPIXPASA-N 431.492 4.690 30 10 IJEE Cc1cc(NC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(C#N)cc1N(C)C 1672555249 HHYBCKWOXBODGW-MRXNPFEDSA-N 433.339 4.925 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3Cc4cc(Br)ccc4C[C@@H]3C)cc2n1 1674577176 WKVTVMRRNFRWPY-AWEZNQCLSA-N 425.330 4.964 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCCc1cc(Br)ccc1SC 1677621928 BITAPCNVBNOOLT-UHFFFAOYSA-N 435.387 4.778 30 10 IJEE CN(C[C@H](O)c1ccccc1Br)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1677754322 FTUWFVHDBUYSBR-SFHVURJKSA-N 446.345 4.695 30 10 IJEE C[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)Oc1ccc(Br)cc1 1679356905 GLKLSRKUQGNZEF-HBGVWJBISA-N 442.357 4.698 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Br)cc2Oc2ccc(C)cc2)CC1 1679409608 OSKIBZABELXGRG-UHFFFAOYSA-N 443.341 4.932 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1 1681970701 OZLAECXHHMJBDD-QAQDUYKDSA-N 433.321 4.898 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccccc1N(C)CC 1684049337 QSRBSESOWJACFN-UHFFFAOYSA-N 434.353 4.942 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690157230 AMFJIVJMJBZYJV-HSALFYBXSA-N 442.629 4.666 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1690184326 HAUWPANLZNQRCL-LJQANCHMSA-N 438.622 4.832 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C1CCC1 1690240390 FOLNCESNTPEZAG-AUUYWEPGSA-N 449.368 4.817 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCCOCC1 1690422196 HBNRCSNEJRERKN-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1690424636 VSFSZOKEXZBVON-NRFANRHFSA-N 434.588 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690435727 DETQABAXDFPGFF-UXHICEINSA-N 434.632 4.871 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1690510915 JQKBTKWGOKTASU-UXHICEINSA-N 426.605 4.982 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1nc(C(C)(C)C)cs1 1690517372 CQOKSSCKBQOGKM-UHFFFAOYSA-N 449.422 4.655 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1)C(C)C 1690581094 KSNMGHKEKLWTHN-BWKNWUBXSA-N 431.669 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC2(CCCCC2)O1 1690599379 WLOGJUSBAVBRBH-HXUWFJFHSA-N 427.618 4.694 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1694080153 CMGZZYCPRJCEAD-NIYFSFCBSA-N 445.615 4.832 30 10 IJEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1705517290 SHYJERIQDNHFNG-QFIPXVFZSA-N 436.600 4.573 30 10 IJEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1705520841 IHJCEPJZMAWMQR-UHFFFAOYSA-N 448.567 4.851 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1705524774 RZJZOTLFMWWQHA-SJORKVTESA-N 427.549 4.667 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C1CCCC1 1705532138 GZDXXKAHOVOYEB-UHFFFAOYSA-N 429.609 4.575 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1C[C@H](C)O[C@@H](C)C1 1705608099 DZNIMLWHOJZIMO-PMACEKPBSA-N 448.567 4.780 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)CC1 1705666182 RACVXBLQMYXVNG-UHFFFAOYSA-N 439.412 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCSCC(C)C 1705667978 ATRQREHXCCWBIM-FDDCHVKYSA-N 430.593 4.939 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)CC(C)C 1705698721 XSWGMQBXGRJJON-NZQKXSOJSA-N 434.588 4.799 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1705784708 GDCICIRKFZNYNN-QHCPKHFHSA-N 441.595 4.519 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(O)CCCCCC1)C1CC1 1705850067 FXGVVGNXZNRXMT-UHFFFAOYSA-N 445.405 4.948 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1ccc(Cl)nc1)C1CC1 1705851659 NQLBUXXJODWLOP-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(C)(C#N)CC1)C(C)C 1705867917 XWWDEZXQUOVYDD-QHCPKHFHSA-N 432.616 4.774 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1cccc(F)c1)C1CC1 1705893780 FZJKYYBENYQAEI-FQEVSTJZSA-N 441.551 4.844 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCCC2(F)F)C1 1705918250 FXVXDTIKGGTWHE-ZWKOTPCHSA-N 432.515 4.561 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1705947742 WCIOHLSFQUCORU-SFTDATJTSA-N 426.630 4.956 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccs2)cc1 1706472439 FUQYTINBVMWDPA-HSZRJFAPSA-N 439.560 4.922 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722278115 PBNCMMKYWWUWDJ-HQRMLTQVSA-N 446.542 4.846 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722314686 OKADFWMYRYOGSW-UHFFFAOYSA-N 449.643 4.741 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCSC(F)(F)F 1722379914 QNUMDIHPPMZQPS-UHFFFAOYSA-N 438.544 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCCCC1 1722506612 ULPGYHYWCDFSKI-UHFFFAOYSA-N 428.577 4.954 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722513218 SSQVTKRFQQDBAU-GOSISDBHSA-N 443.592 4.517 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1722577771 QCJOXLRCGFQWGV-FUDKSRODSA-N 429.653 4.680 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@]2(CCSC2)C1 1722742883 KCTPIPQOLPOSBJ-QHCPKHFHSA-N 444.670 4.727 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1722743121 QWGPGTVHTYNMEH-UHFFFAOYSA-N 431.993 4.560 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1csc([C@@H](C)OC)n1 1727687130 HCDUJZVSOFSTSC-RZQQEMMASA-N 436.585 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOCC1CC1 1740539853 WESJCZCZBFDXHY-IBGZPJMESA-N 431.584 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(C)C1CCCCC1 1740542175 PTBATVMLBBWEDW-SFHVURJKSA-N 444.023 4.720 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(Cl)ccc2C1 1740574917 LSYVFFFOBKLNLP-UHFFFAOYSA-N 425.989 4.653 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(O)CCCCC1 1740636148 PPEVHEOEXFCFOQ-UHFFFAOYSA-N 448.567 4.581 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCc2cc(OC)ccc21 1740657031 SUYBJFXKNDUSJF-HSZRJFAPSA-N 430.596 4.602 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1c1cccs1 1740721211 BFTQMLNZVMIHGI-FQEVSTJZSA-N 438.622 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCN1CCC 1740735649 XUKQQSNWNHAKBO-SQJMNOBHSA-N 437.657 4.745 30 10 IJEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(CCC)Cc1ccc(F)cc1C 1740742714 ZHWOFPBDUMZRTE-UHFFFAOYSA-N 445.340 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740756678 QOEBSESTUKJOAI-VXKWHMMOSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCc1ccncc1 1740771184 VQKIFHJVVTZXCW-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(Br)cs1 1740779574 NVSDUPGHPSYVGJ-UHFFFAOYSA-N 428.359 4.853 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@]2(CCCOC2)C1 1740803194 QSNACPZJGOWPNF-HRAATJIYSA-N 437.371 4.831 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1740820704 NVOSMYDRRFNCHV-SFTDATJTSA-N 437.632 4.867 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 1740829672 FQHMVOPKMMPTCK-OTPAQWSUSA-N 430.637 4.684 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740872976 CZPZBHMAIAYMTR-IBGZPJMESA-N 448.615 4.534 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1741001135 LSUPMQKTVFGDLE-SJORKVTESA-N 438.601 4.528 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1748757582 HGOMHBLYMHDZCO-DEOSSOPVSA-N 430.600 4.522 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1CCC(OC)CC1 1748834412 MQQXVCSEKUJUIR-UHFFFAOYSA-N 445.394 4.920 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)C(F)(F)F 1748889158 DKTFOMGGCWHSOV-UHFFFAOYSA-N 425.458 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nnc(C)s1 1749143341 GQFIZQAORGNLCT-AWEZNQCLSA-N 432.981 4.682 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)SC 1749530954 AKKDADQGVKTVJC-HXUWFJFHSA-N 425.602 4.726 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCc2ccccc2C1 1749565889 SGTXQMOBYRGVPW-LJQANCHMSA-N 449.002 4.619 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(Cc1cccs1)C(C)C 1749604400 QSVUXHJNNXNKIM-UHFFFAOYSA-N 429.977 4.524 30 10 IJEE CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1752084323 FTXRHNUPRCEWCH-HOYKHHGWSA-N 440.661 4.602 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)N(C)C)C[C@@H]1C 1752217118 ANWCAPNJDKURMI-JXALWOEJSA-N 434.632 4.810 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC(c2nccs2)CC1 1760140171 DECXHPXNLQQJIJ-UHFFFAOYSA-N 435.597 4.522 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC1CC1)C1CCC1 1760163539 ZXXHBCFLBUKUMG-UHFFFAOYSA-N 441.620 4.575 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1ccoc1 1760274094 GCSGTKBIJQJZRO-UHFFFAOYSA-N 449.605 4.973 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760275544 ZSZKJRBAEMAEQG-FGTMMUONSA-N 433.021 4.920 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC[C@H]1CCO[C@H](C)C1 1760298824 WMPQBOHKHJXAGM-TVZXLZGTSA-N 436.600 4.671 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1nc(C(F)(F)F)cs1 1760331375 RWEAZBHATNXHOO-UHFFFAOYSA-N 437.491 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1760332689 KZYNGZQCBLTPIM-SIKLNZKXSA-N 436.629 4.887 30 10 IJEE C=C(C)Cn1c(N(C)Cc2cccc(C(F)(F)F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1760349605 RSZBEJUCOANHDJ-OAQYLSRUSA-N 438.494 4.550 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)c2c(C)noc2C)CC1 1760399070 XRPXLCDCUNSRRQ-OAHLLOKOSA-N 436.516 4.664 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1760406158 UYPQAWUUZDQSKV-AZUAARDMSA-N 428.552 4.604 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)c1ccccc1 1760420204 KTSKBUDVURBZMS-QHCPKHFHSA-N 435.616 4.572 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCCN(c2ncccc2F)CC1 1760424367 DXYZFAIAJXVESX-UHFFFAOYSA-N 438.526 4.691 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760432632 QNQMQRQRYWUFKL-KDOFPFPSSA-N 437.357 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCc2cccnc21 1760496062 GWKHBTNUGZUQOG-LJQANCHMSA-N 435.522 4.841 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1)c1cccnc1 1760871768 CMLSXFYGNYWLKF-JOCHJYFZSA-N 446.624 4.983 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC=CO1 1761605752 GMDRFJPQSGERJO-APWZRJJASA-N 434.569 4.666 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1765780319 AKSSKORDSFWVAP-XMSQKQJNSA-N 449.958 4.500 30 10 IJEE CC(C)c1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Br)c3)CC2)cc1 1857956859 FTSVKALYGCXOHS-OAQYLSRUSA-N 426.358 4.595 30 10 IJEE CCOc1ccc(CCNC(=S)N/N=C/c2ccc(C(F)(F)F)cc2)cc1OCC 1860497871 HFOYVTWCSVGCLY-VULFUBBASA-N 439.503 4.544 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)/C=C/c2ccc(Br)cc2)c1 1860725301 FMMGLTAYYRNFHS-FMIVXFBMSA-N 430.298 4.627 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(OCC(C)C)cc1 1861769086 GDPMIHGSHSRMJF-UPVQGACJSA-N 446.632 4.554 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C 1862404200 OZHLQXGSRGFXBX-NRFANRHFSA-N 438.480 4.536 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1862430662 OYLMWHIFBKWVSG-NRFANRHFSA-N 443.927 4.831 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc1OC 1862452885 MJWDETCLCUVAIY-HXUWFJFHSA-N 429.900 4.734 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862484917 UBIRVGPJMXELKM-JPYJTQIMSA-N 437.536 4.523 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862494884 QHDQBCLCOQWSDD-HSZRJFAPSA-N 433.504 4.596 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Br)c1cccc(O)c1 1862599101 BPVXTLWCSBGOEZ-LJQANCHMSA-N 442.309 4.676 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(O)cc2)cc1 1862663334 RVRRYRKRRCBWAL-HSZRJFAPSA-N 428.488 4.689 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(N(C)C)cc2)c1 1862701404 DAWDHAXOLJSITE-JOCHJYFZSA-N 448.544 4.601 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(F)cc1 1862703685 XJJMGWJRBRQODP-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1F 1862712538 SYLPCLLONZBGMK-JOCHJYFZSA-N 437.442 4.733 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1 1862764105 BWRYOVNEDAUZFO-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1sccc1C 1864498584 MMZFCYSLAPJETB-GOSISDBHSA-N 430.618 4.753 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870110010 VOGRDSRHVXWAML-UHFFFAOYSA-N 429.867 4.896 30 10 IJEE COc1cccc(OC)c1C(=O)Nc1c(C#N)nnn1-c1cc(C(C)C)cc(C(C)C)c1 1870139586 YQQHFCDFDCDRRU-UHFFFAOYSA-N 433.512 4.655 30 10 IJEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871251493 HNBFIDAPPCEOEJ-UHFFFAOYSA-N 430.552 4.633 30 10 IJEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@H]2COc3ccccc3O2)C4)o1 1871353312 PFMPDTLSGFLUCL-ZASXCATISA-N 445.471 4.505 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450505 HKRDMZIOLGGGIH-RQZLXBNYSA-N 436.445 4.679 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871776020 JXKAZSAYVHZDFD-AUSIDOKSSA-N 428.598 4.842 30 10 IJEE CCCCCCCCCCNC(=O)Cc1nonc1OCC(=O)Nc1cc(C)ccc1C 1872647908 CWEADABJNGLYHK-UHFFFAOYSA-N 444.576 4.503 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2cc(F)cc(F)c2)C1=O 1873108285 MPWQUCBAZRQADM-NRFANRHFSA-N 448.554 4.954 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873595056 NOEDOYMBDRMUFV-UHFFFAOYSA-N 445.954 4.837 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCC)c(OCC)c1)n2CC(C)C 1873612608 DREFIYHGGNGRNA-UHFFFAOYSA-N 437.544 4.735 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C)cc1C)n2CCCOC 1873656730 JOBVJQBCDMHMKU-UHFFFAOYSA-N 433.556 4.515 30 10 IJEE CCCOc1ccc(/C=N/n2c(Cc3ccc(OC)cc3)nnc2SC)cc1OCC 1874347774 FURSNPMERDDMIS-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2cccs2)c(O)c1 1874422405 KMZKQHSJYNHVJE-SSDVNMTOSA-N 426.498 4.731 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 1874450295 YGZRFNJEBCBHLN-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE COCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc2ccccc12 1874499503 SDIMMINVTKBNMV-YDZHTSKRSA-N 433.493 4.660 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cccc(F)c1 1874509808 WAQVLWHFVOLTGE-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1c(F)cccc1Cl 1874524391 LSNISDKFHRPPAW-FOKLQQMPSA-N 431.924 4.554 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Br)c2)c1 1874605057 FJIZGMAJKZWASJ-VQHVLOKHSA-N 447.325 4.932 30 10 IJEE O=C(/C=C/c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1874620636 LDRHUZJPEGVDCF-FPYGCLRLSA-N 435.407 4.980 30 10 IJEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 1891187247 FJCWEBKZKYLLBF-LBPRGKRZSA-N 437.315 4.944 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C 1922117661 BUZHBFZKCVWRMC-ZEQKJWHPSA-N 446.632 4.934 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)C23CC3)cc1 1925707541 JYSMMMWYTOSHCR-DEOSSOPVSA-N 443.544 4.872 30 10 IJEE CC(C)(C)OC(=O)N(CCCC(=O)N(CC#N)CCC(F)(F)F)Cc1ccccc1 1985173549 XLNPYOJKDXZPFY-UHFFFAOYSA-N 427.467 4.508 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1Cl 2010542806 GQRVBOJKUXYXQI-QRWLVFNGSA-N 443.931 4.649 30 10 IJEE C=CCN(C[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC)C(=O)OC(C)(C)C 2048643361 QZAFUYBMVSZTHJ-HNNXBMFYSA-N 431.802 4.965 30 10 IJEE CCc1ccc([C@@H](C(C)C)n2nc(CC)c(/C=N/O)c2I)cc1 2079052480 VIPGRCGZXACABO-MLHZQLSASA-N 425.314 4.666 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](Nc2cc(Br)ccc2C#N)(C(F)(F)F)C1 2105982451 ZWVYTQBBKDDZDT-INIZCTEOSA-N 434.256 4.675 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2118193540 BKZVMTHYIJJVHN-UONOGXRCSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2ncc(Br)cc2C#N)C1 2162310509 QHQFPIJDMPJPFH-OXJNMPFZSA-N 435.366 4.697 30 10 IJEE CC(C)(C)C[C@H](CC(=O)Nc1ccc(Br)c(C#N)c1)NC(=O)OC(C)(C)C 2180923713 ULYMVYSREGDEDJ-HNNXBMFYSA-N 438.366 4.979 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Br)c(F)c2)NCC)C1 2183008134 LHIPURLBIQPPEN-GOSISDBHSA-N 441.385 4.970 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(Nc2cc(Br)cc(F)c2C#N)C[C@H]2CC[C@H]1C2 2188303467 CBWFEGVXDCVDNP-QAJFTPDKSA-N 438.341 4.955 30 10 IJEE C[C@H](CC1CCN(Cc2ccc(Br)cc2C#N)CC1)NC(=O)OC(C)(C)C 2203631692 NEXANKQPONWSAZ-OAHLLOKOSA-N 436.394 4.836 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2215218112 OAOJISOWWYFQJE-QHCPKHFHSA-N 431.508 4.860 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)Cc3cccs3)cs2)OC1(C)C 2247862502 BJSPYDGSXKBSMH-UHFFFAOYSA-N 439.411 4.951 30 10 IJEE Cc1ccc(C(=O)N2CC[C@]2(C)CCOCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2282107866 QHELDZFUAHWNRG-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE Cc1cccc(C(=O)N2CC[C@@]2(C)CCOCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282693204 KDZCGUBMRGRDDI-MHZLTWQESA-N 449.400 4.506 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@H](O)CC#CC1CCCC1 2289923833 DPCPIYBDDIMDIL-WOJBJXKFSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@@H](O)C#Cc2cccc(Br)c2)C1 2296231151 ANKNZTKPAYWTQI-MJGOQNOKSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H]([C@@H](N)C#Cc2cccc(Br)c2)C1 2296267877 XWNXOPOOHIUXAE-MOPGFXCFSA-N 433.390 4.555 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@H](C)C3)C1=O)cn2C 2296607579 VKYHRZAQGUHHKK-IRXDYDNUSA-N 446.547 4.987 30 10 IJEE CCCOc1ccc([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 2296923532 QBPJPOLIVOYSBP-HSZRJFAPSA-N 446.478 4.631 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(OC)cc2OC)C1=O 2297484848 DFEDSPYMWPPOKF-UHFFFAOYSA-N 445.924 4.901 30 10 IJEE C=CCc1ccc(OCCCCn2c(CCNC(=O)C=CC)nc3ccccc32)c(OC)c1 2314876338 HSKPDUOCQLQYPL-UHFFFAOYSA-N 447.579 4.867 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2C)C1=O 2324974567 MGIKFPVCPLFGMY-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)o1 2325396777 FLGCSOHTDUDQQX-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)c1 2325575205 KMWXCTZSZYZSRU-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc([N+](=O)[O-])c1O 2326635556 SMGINUZTKVHNMD-UHFFFAOYSA-N 449.492 4.537 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccco2)cc1C 2330534320 AXHNCIXUPQYBRQ-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2Cl)cc(Cl)c1OC(=O)c1cnccn1 2330910376 VRBHADPIMQJWSE-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE Cc1cccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc3c(c2)OCCO3)c1 2331138472 UNAYTXALOHEZDP-UHFFFAOYSA-N 434.443 4.551 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1cccc(F)c1 2331324264 BMHYBTAAKQZLFT-UHFFFAOYSA-N 429.496 4.512 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C(C)(C)C 2331397110 JIXOAFQWOOTXHP-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CC(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1c[nH]c2ccccc12 2331706374 IXHPYFAVWHYFGJ-UHFFFAOYSA-N 443.536 4.706 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc([N+](=O)[O-])c1OC(=O)CC 2331832150 RPDOXYFCOMSFKJ-UHFFFAOYSA-N 433.844 4.867 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2360197853 WTEBZGCBMJUHDN-POAQFYNOSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(C#N)c(Br)c2)CC[C@@H](C)CC1 2362548504 JLCXPNPUHSCGKO-UWELNFAVSA-N 436.350 4.733 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2364628979 DJNZHRGOGJXQSP-PKOBYXMFSA-N 439.394 4.805 30 10 IJEE CO[C@H]1C[C@](C#N)(Cc2ccc(I)c(Br)c2)C12CCC2 2377399889 YDWSPOIMXCHJFN-GJZGRUSLSA-N 446.126 4.695 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc(O)cc2OC)C1=O 36258517 UVYYDYAEJSKLSM-LICLKQGHSA-N 431.897 4.598 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc2ccccc12 40096891 NJBSGQXXJJRLKV-XMMPIXPASA-N 443.499 4.989 30 10 IJEE COc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)ccc1OCC#N 59566909 XLBLEYFVLMNPLM-MHWRWJLKSA-N 434.304 4.796 30 10 IJEE COc1ccccc1/N=C1/SCCN1C(=O)COc1ccc(C(=O)c2ccccc2)cc1 89471680 VOKDVMQSLDVDKC-OCEACIFDSA-N 446.528 4.568 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 102535090 JDFNJFNOLUPQBB-RKKARLDVSA-N 432.451 4.636 30 10 IJEE O=C1/C(=C/Nc2cccc(F)c2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 105286201 NRNPNAFPAUTMCB-BKUYFWCQSA-N 442.899 4.965 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 111277876 YBOSSFRNVPZSBD-VFJWVMJUSA-N 442.427 4.995 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1cccs1 169987207 NMDCYQCVXLQIIQ-LJQANCHMSA-N 441.892 4.899 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2ccccn2)c1 169994547 MYSUJWYSZYZLRG-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccncc2)cc1 170016528 OZCHTDHLUSDDCU-QFIPXVFZSA-N 443.459 4.896 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCC[C@@H](C)C2)C1=O 170051489 ISIGUTNUKWMHCX-LJQANCHMSA-N 439.600 4.817 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2C2CCCC2)c1 170121507 YJJVBPFLTDAXIL-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2C)c1 170142812 YCFQTXHCASXEGM-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1 170163532 YARXAWKRJWPRPI-NRFANRHFSA-N 434.517 4.710 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1cccnc1 170194035 KTYNBVVRVCQWCQ-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccco2)cc1 170279098 TZXJGYJTIRECCA-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1 170289805 WYTKXEXHTJBKPZ-QFIPXVFZSA-N 428.444 4.721 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1ccc(F)c(Cl)c1 170334020 KQMWMTBEFVGLRO-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c1)C2=O 210085923 CCPWKPOWLJRVJY-LPYMAVHISA-N 431.400 4.829 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N\N=C/c3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 210557581 ACTTVGHSZXFOOP-HWJUDHBUSA-N 448.523 4.991 30 10 IJEE Cc1cccc(-n2c(C)cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2C)c1 248108148 MHNXONPIYSSRKS-UHFFFAOYSA-N 426.564 4.622 30 10 IJEE Clc1ccc(C=NNc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)cc1 252640203 YRHOZEJDHOTAAJ-UHFFFAOYSA-N 427.984 4.732 30 10 IJEE O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccccc1Cl 254843476 WPMABGYBVMRQRS-UHFFFAOYSA-N 426.701 4.947 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 303648180 SSAAZFPDGAPEHW-UHFFFAOYSA-N 427.460 4.874 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1Cl)NCC 406135712 OWFVKKXAPDDTEQ-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCO1 460926339 UBJJZSBFBOKMFH-FQEVSTJZSA-N 433.581 4.714 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 505677004 ZWWNWLBBIIARIC-UHFFFAOYSA-N 428.414 4.587 30 10 IJEE C=CCc1cc(CNC2(c3ccc(Br)cc3)CCOCC2)cc(OC)c1O 525697032 XODZRMOPKYZDBQ-UHFFFAOYSA-N 432.358 4.687 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)cc2)c1OC 526520296 HNFRVMJEUBCPAY-QHCPKHFHSA-N 426.472 4.941 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cccc(OCC)c1 526826836 KFDLVLPVYGDBNO-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 545208864 KKANNWPNZMNWTL-UHFFFAOYSA-N 431.514 4.795 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@H](c4cccc(F)c4)C3)n2Cc2ccccc2)cc1 549156881 KQNXJFIXBCRHGS-DEOSSOPVSA-N 439.494 4.582 30 10 IJEE C=CCN1C(=O)N(c2nc(C)c(Cc3cccc(C)c3)s2)C(=O)[C@H]1Cc1ccccc1 557401502 IKXWCAXXDVKJIC-OAQYLSRUSA-N 431.561 4.917 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 558998142 QCJGMIFMHYAXDL-XMMPIXPASA-N 448.567 4.582 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(C(F)(F)F)cc1 560998483 QQYOZOHJCFPPBP-YZGWKJHDSA-N 440.506 4.580 30 10 IJEE N#Cc1cccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)c1 586124303 OUMYHVLGVVUCTM-UHFFFAOYSA-N 433.371 4.844 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(OCc2ccccc2F)CC1 670212008 JVJYPZOGXJNVTM-XMMPIXPASA-N 448.542 4.855 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1(C)C 698986820 LDGTVBSKVYEEOB-OAQYLSRUSA-N 436.557 4.996 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 730489006 HAFNZKJLQZOOSB-PIPMEXSNSA-N 441.531 4.648 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(CC)cc1 733202747 WUPBLILVTXIANC-QFIPXVFZSA-N 433.577 4.849 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)ccc1OC 733655716 AECOJKTXLGIWHP-HXUWFJFHSA-N 446.551 4.947 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(F)c(F)c1)[n+]1cccc(O)c1Cl 735664721 GBPFGRPOAJWZNR-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)n2)c1 752375988 HMCQKTFWWAVWQA-UHFFFAOYSA-N 432.436 4.918 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N([C@@H]3C[C@H]3C3CC3)C2=O)cc1 797423944 ARWBPAWYLOZHHQ-BHDDXSALSA-N 447.560 4.648 30 10 IJEE C=CCSc1nc2ccccc2n1CN1CCC(C(=O)N2CCc3ccccc32)CC1 921055076 MDPRPTNJKZGNKD-UHFFFAOYSA-N 432.593 4.573 30 10 IJEE CC(=NNc1nc(SCc2nnc(C3CCC3)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084505935 LILNBSMRXVTNQD-UHFFFAOYSA-N 427.578 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3cc(Cl)ccc3OCC#N)C2)CC1 1116712776 FVCQTEVNOHMOKG-UHFFFAOYSA-N 433.980 4.855 30 10 IJEE C#CCOc1cccc(OC(=O)C[C@@H](C)CCc2ccc(I)cc2)c1 1125909283 OAZUKOOPLFUMOM-INIZCTEOSA-N 448.300 4.868 30 10 IJEE C#CCN(C(=O)c1ccc(F)c2ccncc12)[C@@H]1CCOc2ccc(Br)cc21 1126151922 VQQJIYUKYFPJDN-HXUWFJFHSA-N 439.284 4.736 30 10 IJEE COc1cc(F)cc(CNC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1127298435 CVDCJVNUARPHSC-UHFFFAOYSA-N 425.300 4.567 30 10 IJEE C#CCOc1ccccc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 1138309613 SYSMQBODJMTFDQ-UHFFFAOYSA-N 428.319 4.989 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)OCC 1140925167 ASSGQERNXOCCRA-PMACEKPBSA-N 446.341 4.583 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cc(Br)c(C)cc3C)ccc2c1=O 1154715125 WMXVEMDBNBOHAI-UHFFFAOYSA-N 444.354 4.503 30 10 IJEE Cc1ccc(C(=O)Nc2ccc(Br)c(C#N)c2)cc1NC(=O)NC(C)(C)C 1157058642 CKPUBKNVMXBYRI-UHFFFAOYSA-N 429.318 4.802 30 10 IJEE C=CCOc1ccc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C)cc1OC 1162717723 AUESRMXIVPDNJJ-GOSISDBHSA-N 444.572 4.512 30 10 IJEE C[C@H]1CN(c2cc(F)cc(Nc3nc4c(c(C#N)c3C#N)CCCCCC4)c2)C[C@@H](C)O1 1163635687 GJJZJGYOJBSHSG-CALCHBBNSA-N 433.531 4.980 30 10 IJEE C=C(C)[C@H](CO)Sc1nnc(COc2ccc(OCC)cc2)n1-c1ccc(Cl)cc1 1164464697 RVJDKCUCYHQHCC-FQEVSTJZSA-N 445.972 4.928 30 10 IJEE C=CCOc1ccccc1CN(CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(C)c(C)c1 1168035298 UHWUPVLVPDVABK-UHFFFAOYSA-N 447.579 4.739 30 10 IJEE C#CCC1(NCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)CCC1 1176382360 WLASQHGAYMBYGY-UHFFFAOYSA-N 426.564 4.939 30 10 IJEE C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 1186939545 FUWJMKXOGSOGGA-DPZKZMLUSA-N 428.863 4.906 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](O)CCc3ccccc3)cc2Cl)c1 1199731341 HCTBVKYVSQSDMY-QFIPXVFZSA-N 449.938 4.906 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Nc2sccc2C#N)C1 1207292604 FCNWCMZUZIOUIN-QZTJIDSGSA-N 444.532 4.674 30 10 IJEE C#Cc1ccc(NC(=O)NCCc2ccc(OCCN3C[C@@H](C)[C@@H](C)C3)cc2)c(Cl)c1 1220235470 WGPDBEXDHXNBET-KDURUIRLSA-N 439.987 4.652 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(-c2ccc(F)cc2F)on1)c1ccc(Br)cc1 1252458953 NSRPNUMTVQOJCG-SFHVURJKSA-N 446.251 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCC[C@H]1C 1286272634 BJUQLWKVXKMGDH-ZCCHDVMBSA-N 428.989 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@H](OCC)C(C)C 1286283721 ZHBZLJBWJYKNHG-LPHOPBHVSA-N 433.394 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286578473 DVZSFXGBQGEJLG-IBGZPJMESA-N 445.633 4.732 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCSc2c([nH]c3ccccc23)C1 1286607435 GZEORWCMNMQFFB-UHFFFAOYSA-N 425.602 4.663 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 1286620281 IEIMXINYWJZPFX-IRXDYDNUSA-N 439.387 4.914 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(SC)CCN(C)CC2)CC1 1286654340 GNWDBANXUFWHCB-UHFFFAOYSA-N 446.064 4.828 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@H]1OC)C1CC1 1286732940 JXTJGQXYAARHSA-AUUYWEPGSA-N 449.368 4.817 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CC1(SC)CCN(C)CC1 1286753007 QRYLJUODMAGMHL-UHFFFAOYSA-N 432.037 4.604 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@@H](F)c1ccc(Br)cc1 1286754631 BKFUVORBXMJZGW-QGZVFWFLSA-N 430.325 4.925 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1286771221 CNHKIERWTFXRHL-FCHUYYIVSA-N 440.588 4.712 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CC(C)(C)OC(C)(C)C1 1286829217 GHEFRZROPDHBDM-UHFFFAOYSA-N 437.613 4.806 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](C)c2c(C)noc2C)cc1 1289860645 FVFXFHOOHLPOMC-IRXDYDNUSA-N 438.601 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 1293836448 CWJLWKONJIINHY-RPWUZVMVSA-N 445.563 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C(C)C)C(C)C 1300273804 HFKIHXVGHKSIKI-RTBURBONSA-N 432.012 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1N(C)CCCC1(C)C 1300282325 HHCKXJYQNROINA-XMSQKQJNSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C)cc1OCC(F)(F)F 1300314132 BRQDUDDEICBOOY-MRXNPFEDSA-N 448.514 4.686 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(C)(C)c1ccccn1 1300472736 HHVLSFVRABIXQU-UHFFFAOYSA-N 431.584 4.731 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCO[C@H]1CCCC[C@@H]1C 1300650098 SHTFGGVYDUNDDC-REWPJTCUSA-N 426.580 4.851 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(OC)CCCC2)CC1 1301119466 JUSRGDQXJWGLGO-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C2CCOCC2)C1 1301188414 JMMVDMORJMGDAD-IBGZPJMESA-N 430.543 4.756 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)Oc1cccc(C)c1 1301362562 FZBOPZKQJXZMMD-PMACEKPBSA-N 438.597 4.812 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)c1c(C)noc1C 1301417319 QQHYNAHUIISYQM-HNNXBMFYSA-N 429.952 4.646 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)C[C@@H](C)C2)cc1 1301527114 UOYHQYQJILWQED-HDICACEKSA-N 437.613 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOC2CCCC2)C1 1301541933 GSWWVRFZNJODEV-NRFANRHFSA-N 430.980 4.729 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCCN3Cc3cccc(F)c3)s2)cc1 1306262933 BCTRKZLLGCUIQN-JOCHJYFZSA-N 434.540 4.738 30 10 IJEE CC(C)(C)OC(=O)Nc1nc(CNc2cc(Br)c(C#N)cc2F)cs1 1307228913 VXUJDOURXOAFBX-UHFFFAOYSA-N 427.299 4.875 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 1310862679 RGKUFKAUWPOJJW-HXUWFJFHSA-N 445.357 4.819 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2)[C@@H]1CCCc2ccccc21 1312135703 REBZECOCASKUOY-ZQMYSKGWSA-N 431.536 4.580 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)[C@@H](CCOC)Cc1cccc(Br)c1 1350765801 OVSJQVWTYGXNSZ-SFHVURJKSA-N 433.342 4.987 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 1351046248 FQCVRCATHUEZRP-JTHBVZDNSA-N 426.582 4.661 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1351946255 YVMGFMHANLREDP-HSZRJFAPSA-N 426.582 4.940 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1358969031 FMXNPOGSYYLYDL-SONWIMMPSA-N 448.611 4.559 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCCC1CCOCC1 1359016861 NUTMTENPIWRGCO-HSZRJFAPSA-N 440.563 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@H]1CCCCO1 1359063711 BKSKZUFOJVPPNJ-UMEGOILYSA-N 440.563 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1359091401 MXTLHVZWQFXVIG-DVRVPYBTSA-N 446.542 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(N(C)C)CCCC1 1359109036 NISKEFQPIHTFTC-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1359126939 DDEYTNQMAQIQLD-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1359132866 HBVYNHQFFASZRS-AZUAARDMSA-N 445.633 4.515 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCc2csc(CC)n2)CC1 1359179655 AFKOOSKANNFHCZ-UHFFFAOYSA-N 437.613 4.542 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1359203006 GPEHYCAIXOHOPR-YADARESESA-N 447.624 4.569 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCSCc2ccc(C)cc2)C1 1359319772 FXCFCXGDMFIEMR-FCHUYYIVSA-N 442.629 4.543 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)OC(C)(C)C)CCC2(C)C)cc1OC 1438633699 PRQJZXJLMDQIOC-BENRWUELSA-N 444.572 4.521 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 1440825269 KCFFLVYJBISJRJ-UHFFFAOYSA-N 438.524 4.763 30 10 IJEE C=CC1(CC(=O)N[C@H](COc2ccccc2)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1443685928 GTEIKANSXNUMHL-JOCHJYFZSA-N 436.552 4.736 30 10 IJEE CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N3CCC(C#N)(C(=O)OC)CC3)c2C1 1449421185 FSYZUCHJZKELLZ-GOSISDBHSA-N 447.579 4.695 30 10 IJEE C=CCC1(O)CCN(C(=O)c2ccccc2OCc2cccc(Br)c2)CC1 1455924214 HBRQURURHHVKQJ-UHFFFAOYSA-N 430.342 4.571 30 10 IJEE C=CCn1c(SCc2nc(-c3ccc(F)c(F)c3)no2)nc2cc(Cl)ccc2c1=O 1458730269 IWUJJRLYXAXTSO-UHFFFAOYSA-N 446.866 4.856 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)cc21 1463118489 BNHRGCZPLSXMHF-NSDWXSQCSA-N 448.954 4.909 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(OCC)c(OCC)c1)C(C)C 1463801426 VZMIRYQPUUXZEZ-KNQAVFIVSA-N 446.588 4.604 30 10 IJEE C=C[C@@](C)(CC)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1463970711 MWODOGNDKOQREC-XATQLNLPSA-N 427.353 4.748 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Br)cc1 1465577944 DQOXHDVJZLQCHJ-QFIPXVFZSA-N 430.305 4.740 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1ccccc1 1467207867 VLVFACGVQBYXDC-OAHLLOKOSA-N 430.302 4.609 30 10 IJEE COc1cccc(O[C@H](C)CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1476581195 CMPWHPJFKZXCSH-QGZVFWFLSA-N 447.539 4.639 30 10 IJEE C#Cc1cccc(CNC(=O)NCCCCCC2CCN(C(=O)OC(C)(C)C)CC2)c1 1478816497 WCEVIKHYMIYWBQ-UHFFFAOYSA-N 427.589 4.675 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 1479049271 GUODHEKDHZTBIM-OALUTQOASA-N 425.342 4.634 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1507602005 LKWDRWDJOSOODN-WFXMLNOXSA-N 445.007 4.982 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507698237 KAZLCMWHRGLCDK-OAQYLSRUSA-N 439.673 4.849 30 10 IJEE C=C(Br)Cn1c(C2CC2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1507781512 AWDLMJZYLTYSRB-OALUTQOASA-N 431.378 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1Cc1ccc2c(n1)CCCC2 1507823524 KGXMVWHXDWCKGH-UHFFFAOYSA-N 431.584 4.890 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCN(CC)C2)CC1 1507882478 UOZZSRUXHSQWOR-MOPGFXCFSA-N 429.996 4.570 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](F)COC)CC1 1507908809 GRERTWISNGEWKH-FQEVSTJZSA-N 430.568 4.542 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1507917290 NITIVTIGKUJHGF-UHFFFAOYSA-N 429.653 4.840 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCCC[C@@H](SC)C1 1507958763 CLZSHGGKYWHKOB-HXUWFJFHSA-N 437.613 4.808 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)C 1508011545 SVSICOGMTBRSLC-FYYLOGMGSA-N 438.664 4.855 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCc2cccs2)cc1C 1510981721 GPBBYWRRPGAQIP-UHFFFAOYSA-N 435.597 4.908 30 10 IJEE COc1ccc(-c2ccc(CNC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)s2)cc1 1516788050 DKPATUYGGLPCEM-GOSISDBHSA-N 435.524 4.577 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 1520800805 CJMJIGKHPPJDQN-MRXNPFEDSA-N 448.311 4.615 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H](C)C2)c1 1522842877 IHLNPLXNUZLMMG-GOSISDBHSA-N 447.000 4.984 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1523485568 FVOQPEYWPBLTHV-NLFFAJNJSA-N 442.556 4.672 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)C2)c(F)c1 1524789056 BMGSGIDHBRVDLP-LJQANCHMSA-N 433.458 4.880 30 10 IJEE N#Cc1cc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)ccc1Br 1527149471 AAIAQOCYYFAJDN-UHFFFAOYSA-N 445.704 4.986 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 1528206575 AIMVLTSCCBULMM-UHFFFAOYSA-N 433.511 4.887 30 10 IJEE CCOC(=O)CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(C)cc1 1530029284 GRFVQETYWMWEPF-UHFFFAOYSA-N 428.488 4.656 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1537258235 PINUKMLQYVYHGD-QESAQDPVSA-N 434.621 4.680 30 10 IJEE Cc1cccc(Oc2ccccc2CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1537599840 FOLLZLZRSPAFPW-NRFANRHFSA-N 429.495 4.941 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(SCC)c1 1539306784 KQTWZFZAHQNQAG-UHFFFAOYSA-N 435.984 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1csc(CC)n1 1539541121 ZZUUKDWALAAGMP-JOCHJYFZSA-N 443.523 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1539552165 JEHRUQJCYULRRX-NYUJMHJJSA-N 435.616 4.870 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2[nH]c(C)cc2c1 1539651749 JZPUDIALWRVDKD-VWLOTQADSA-N 437.588 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1c(C)nn(C)c1C 1539655547 NUETXQWIRMGCHN-UHFFFAOYSA-N 449.422 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539840316 RFLUNMDKUYCHCV-WBVHZDCISA-N 449.368 4.554 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC(C)C)CC1 1539871063 HIZXOXOJPKUMPT-UHFFFAOYSA-N 429.996 4.700 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(OCC)CCCC2)CC1 1539882238 HSUHFBSOWQFBPJ-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CCc2ccsc2)CC1 1539896040 FYYSUGXDNFXEFQ-UHFFFAOYSA-N 438.597 4.962 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@H]1CC 1540073390 ZXZBDQDGZKYXQU-VAMGGRTRSA-N 431.625 4.841 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(Cl)c(OC)c2)C1 1540894895 HISSPHSNMBILRX-LJQANCHMSA-N 430.980 4.502 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)CCC(C)C 1546626733 CRRFJEUVJUXWAO-HWHXTQLESA-N 439.604 4.541 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N)c1ccco1 1547436524 DPXGJANUPXGTJY-PXNSSMCTSA-N 440.979 4.870 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC(C)C)C(C)C)cs1 1554585475 BUMYBCRXUUGAFV-KRWDZBQOSA-N 438.601 4.900 30 10 IJEE Cc1c(Cl)cccc1N1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1559832894 DIADOMLEIFUZCU-MRXNPFEDSA-N 443.016 4.610 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)cc1 1559950385 IVLIYSQARNGYQD-UHFFFAOYSA-N 436.770 4.779 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1)C(C)C 1562640520 RWJPQMZGKWOMQG-INIZCTEOSA-N 437.972 4.818 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1564772148 MOEUZWNRUQCSPW-RTWAWAEBSA-N 447.373 4.745 30 10 IJEE COc1ccc(CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(Cl)c1OC 1569700992 CQKHCKQGFLQKEG-UHFFFAOYSA-N 435.911 4.945 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCc3ccccc3F)C3CCCC3)n[nH]2)c1C 1583769111 KXCNEABXVHLATE-UHFFFAOYSA-N 435.547 4.843 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1CCC(F)(F)CC1 1587945739 PMNBYKAEYDMUGE-UHFFFAOYSA-N 432.515 4.636 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)cc1 1587964612 MNCSTQUGNKZGLP-UHFFFAOYSA-N 430.386 4.519 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)S[C@H](C)C1 1589722216 ZTNCPHNZYPRURW-BETUJISGSA-N 425.371 4.753 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC2(CCC2)C1 1593702943 AVURGTJNZKGDHU-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CC=CCC2)CC1 1594194419 VXYZCKWSVUTELZ-IBGZPJMESA-N 442.007 4.736 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1594226792 RFPHEKIVUHHJIK-XMMPIXPASA-N 430.600 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1594510806 AKRHCZHKUUHRHB-GHTZIAJQSA-N 437.613 4.894 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1594545233 RYLRBQJNLQHOCL-BJKOFHAPSA-N 431.584 4.951 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1595148963 DYQAULJDLBMOCK-DEOSSOPVSA-N 445.548 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C)s2)C1 1595728752 DLJJKWTYSHXPBM-LJQANCHMSA-N 428.989 4.722 30 10 IJEE C=CCC[C@H](NC(=O)CCC(=O)Nc1nnc(C2CC2)o1)c1ccc(C(F)(F)F)cc1 1597058790 UTNNHBSJMUGAPV-INIZCTEOSA-N 436.434 4.508 30 10 IJEE C=CCN1CC[C@@H](Sc2nnc(-c3ccc(N(CC)CC)cc3)n2-c2ccccc2)C1=O 1613367948 VLNHYKIHJXIJJK-JOCHJYFZSA-N 447.608 4.660 30 10 IJEE C=CCC[C@H](NCc1nc(O)c2ccc(C(=O)OC)cc2n1)c1ccc(C(F)(F)F)cc1 1616672015 ZKCBNFYHDGYQBZ-SFHVURJKSA-N 445.441 4.938 30 10 IJEE COc1ccc(C[C@H]2CCCN(S(=O)(=O)c3sc4ccc(C#N)cc4c3C)C2)cc1 1622162103 GQWRRUGLDODHPM-LJQANCHMSA-N 440.590 4.733 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1623086270 CFZCJFBGXJMDEF-VQTJNVASSA-N 441.572 4.590 30 10 IJEE C=CCC[C@H](C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)c1ccccc1 1634038844 GZTOKLOISDFDOT-GBESFXJTSA-N 440.506 4.898 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)CCSc1ccnc2cc(Cl)ccc12)C(=O)OCC 1635606803 LTPUONCSXXDMGB-MRXNPFEDSA-N 427.353 4.561 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 1639515536 TUPGPLCUHFBQNW-LJQANCHMSA-N 442.560 4.972 30 10 IJEE C#CCN(Cc1ccn(-c2cccc(F)c2)n1)[C@@H]1CCOc2ccc(Br)cc21 1641795996 TWOCJDISHOPJGX-OAQYLSRUSA-N 440.316 4.733 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CCC[C@H]3c3ccc(Br)cn3)c2c1 1642765805 CDBACAKOXMMWJA-SFHVURJKSA-N 439.313 4.623 30 10 IJEE C=CCn1c(SCCn2nc(C)cc2C)nc2scc(-c3cccs3)c2c1=O 1643395725 LBFRNSMLWIBVGB-UHFFFAOYSA-N 428.608 4.978 30 10 IJEE C#CCN(Cc1cc(Cl)cc(Br)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1644503922 BBABZDKPKWNDEK-UHFFFAOYSA-N 441.797 4.937 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccc(F)cc2)c1 1648409363 GXWCJRHBHNJPQB-GOSISDBHSA-N 448.947 4.651 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 1648462260 ZRFAJXVDRUFASE-QJWGWKRISA-N 442.581 4.752 30 10 IJEE C#CCN(CC(=O)Nc1ccc(C)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1653388539 KWDPTPSVVUMXAM-LJQANCHMSA-N 447.760 4.808 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccc(C(F)(F)F)cc1 1654702159 CMWOTWUURRRDGA-SFHVURJKSA-N 437.439 4.798 30 10 IJEE C=CCOc1c(Br)cc(CNC2CCC(C)(N3CCCC3)CC2)cc1OC 1658621200 ZMIFBKLHVDMPKD-UHFFFAOYSA-N 437.422 4.909 30 10 IJEE C=C(C)CN(C)[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)c1ccccc1 1659512576 ZNRJVDSQXCBLOJ-OAQYLSRUSA-N 426.582 4.991 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CCN(C)C)C(C)(C)C 1668832269 ZWAFSZMDDNTSCR-SFHVURJKSA-N 428.390 4.652 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1670942139 ULLYRAZZOBNKGL-FYYLOGMGSA-N 443.950 4.927 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Oc2ccc(Br)cc2)c1)C1CCOCC1 1673333246 KVMRZMDNUKTECB-HXUWFJFHSA-N 429.314 4.791 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)cc(OC)c1OC 1676122464 MJKHWUWJYUDCFG-FQEVSTJZSA-N 436.474 4.795 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 1678114635 BRAAMNGHELGBSN-UHFFFAOYSA-N 434.393 4.917 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCC2(Sc3ccccc3)CCCC2)CC1 1678620135 GCAJKGYERFDEPW-UHFFFAOYSA-N 438.572 4.634 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 1682857499 UYCUTCNEIXGCJW-UHFFFAOYSA-N 435.612 4.722 30 10 IJEE C#C[C@H]1CCCN(C(=O)N[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1 1684770168 ARUSGYCAZGBYQX-GJZGRUSLSA-N 432.387 4.997 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)CC1 1684968707 RVQBIBBQQOJMPD-CYWCHRQTSA-N 434.515 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccc(COCC(F)(F)F)cc1 1690189832 CWTVCALJUVQHCP-JOCHJYFZSA-N 434.506 4.695 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@@H](O)C1 1690198635 WODZQDVCQOYAPY-ZDPZECHZSA-N 433.383 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@@H](F)C1 1690200356 UPEWGLLKWSNRGY-WHSLLNHNSA-N 431.353 4.838 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)CCSC 1690248634 OXUJXEXHKSCSCI-RRPUWOKSSA-N 428.646 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCCC1(C)C 1690256806 WTSVDUZKXBDCIN-HOYKHHGWSA-N 430.568 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cccnc1OCC 1690262486 BSLVBFQXYFTMAA-UHFFFAOYSA-N 444.539 4.845 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCc2cc(C)ccc21 1690287738 RLIDCKPFSCWHMS-UHFFFAOYSA-N 437.588 4.971 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1690347958 WEKXWQLGJIAEJO-YJBOKZPZSA-N 429.754 4.781 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccc2C(F)(F)F)CC1 1690377433 BEXLNYDKXMERSI-UHFFFAOYSA-N 427.474 4.682 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CC=CCC2)CC1 1690415193 BGWUNWYISBWTEV-UHFFFAOYSA-N 449.643 4.819 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cc2ccccc2s1 1690517891 SRTZTBGCPHZKED-UHFFFAOYSA-N 442.386 4.931 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1690541256 UIFNDJFWCOWEPS-NQIIRXRSSA-N 437.588 4.745 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CCN1CCC[C@H](C)C1 1690605363 HQEYGAZHZZEUQL-NRFANRHFSA-N 433.600 4.814 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCO[C@@H]2C(=C)C)C1 1690689630 IMBIEODVXKVERN-HGHGUNKESA-N 446.954 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@H](C)C2)C1 1690706251 HAAHGTVHTVTHBK-KAGYGMCKSA-N 445.007 4.509 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC=C(Br)C1 1690740297 PQJAZAYQQDNMTC-UHFFFAOYSA-N 444.402 4.835 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C[C@@H](C)O1 1694929034 BDLWSCZRUFUXTG-QAPCUYQASA-N 441.988 4.778 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1705477682 RCTFNYVVABQWAH-JKSUJKDBSA-N 441.576 4.817 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H](c1ccsc1)N(CC)CC 1705496204 BIYUEBNCSMQWFG-NFBKMPQASA-N 435.641 4.780 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1Cc1ccc(-c2ccsc2)nc1 1705499363 PSBQKPRUBAEIFB-LJQANCHMSA-N 427.577 4.693 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1705683293 CSFJUMBGYBBZCL-IAGOWNOFSA-N 437.357 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(COC)CC1 1705696339 GBARXTRZTZEJPB-VXNXHJTFSA-N 438.616 4.664 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)CC[C@H]1C 1705733390 SAUFWWBBFGKHAT-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1705739663 MQBXDELGQJACHV-FPOVZHCZSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@](F)(C#N)C1 1705786459 ONFSCHNKEMLTQE-KOSHJBKYSA-N 441.551 4.861 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccn2C)n1Cc1cccc2c1OCCCO2 1705799177 OQONWQOAZKJUAV-UHFFFAOYSA-N 435.572 4.676 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CC(F)(F)C1 1705801520 HGQMVUQAJMWSAT-UHFFFAOYSA-N 428.325 4.874 30 10 IJEE C=CCCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(OC)ccc1Br 1705807297 YLLAUKJDZVNOON-INIZCTEOSA-N 449.393 4.546 30 10 IJEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCc2ccc(Cl)nc2C1 1705807381 APSACVWPPCWOBO-UHFFFAOYSA-N 437.975 4.845 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705847904 BDVPWBMHAHBATF-GHTZIAJQSA-N 449.393 4.590 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2[C@@H]2C[C@H]2CCC)C1 1705920295 UXDGGXOTNKYAKL-BHIYHBOVSA-N 431.378 4.850 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCC(C(F)(F)F)CC2)C1 1705922003 DFTOFRHYPDSFHM-ACBHZAAOSA-N 449.521 4.799 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705949461 ZGBBKOQOACNUQP-OAQYLSRUSA-N 444.645 4.869 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)O 1707040039 FBGCPRIVOWFFEU-QGZVFWFLSA-N 445.995 4.589 30 10 IJEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1)N1CCC[C@@H](C)C1 1708074150 BGRNVZHRUBNBSB-MOPGFXCFSA-N 434.613 4.635 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCC(F)(F)C1 1722390859 WPBPYHADEXIWLF-GOSISDBHSA-N 441.482 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C[C@H](C)CC 1722492640 GDXNCABRJISSIH-QFUCXCTJSA-N 427.549 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCCCC1 1722492740 UGFYRVITYFWKGQ-KNKQGSTJSA-N 428.552 4.919 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 1722517790 YWRKLXKFKPUJGL-UHFFFAOYSA-N 448.036 4.672 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722542683 FYIVIUBNXPIECL-PZJWPPBQSA-N 444.023 4.561 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCOC2(CCCCC2)C1 1722621196 OLIMFFHFNDDXAE-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1722625425 PZKHVOCELBIISE-WOJBJXKFSA-N 441.938 4.528 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1oc(CC)nc1C 1722678419 QFZHNOQAAFGAPI-UHFFFAOYSA-N 437.588 4.789 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(F)(F)F 1722678868 FXOBKCGAQNNBBV-UHFFFAOYSA-N 437.491 4.578 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740557868 RGWHUDJUSKPPQS-QFBILLFUSA-N 449.624 4.561 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](OC)[C@H](C)CC 1740663220 CRLVQDZHRVTZAL-XLIONFOSSA-N 437.613 4.898 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)c1nc(C)cs1 1740665474 CYAWEDYDVCKBRM-AWEZNQCLSA-N 429.977 4.635 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1cccs1 1740722302 GJLBBLBJBBICDB-SFHVURJKSA-N 442.585 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1cccs1)N(C)C 1740727498 OGGSWNWZLAJCPA-AUSIDOKSSA-N 440.016 4.955 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(C)C 1740764299 CRYRUWNLWOZEEN-UHFFFAOYSA-N 432.012 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H]1C 1740765213 RLMRNYLDKBHYBQ-PKOBYXMFSA-N 429.996 4.700 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740789434 KUIYFXSIHBFOJF-JOCHJYFZSA-N 441.620 4.532 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2CCCCn2cc(Br)cn2)CC1 1740833621 USMYEZYIDCHSRD-MRXNPFEDSA-N 435.414 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cccs2)CC1 1740846854 OEESPHBSYPUMDX-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740866567 HZGYYQPVJNCVSB-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(C)=O)C[C@H]1C 1740871245 VKZYJALJIRRJEK-OAHLLOKOSA-N 444.004 4.836 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1CC 1740897864 XOQCIAVBTMRSOX-RTBURBONSA-N 434.588 4.684 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1740929753 GZUJQJPTAJVPBK-OFNKIYASSA-N 448.640 4.972 30 10 IJEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@H](C)C1 1741001134 LSUPMQKTVFGDLE-IRXDYDNUSA-N 438.601 4.528 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1c(C)noc1C 1748660890 YMQHGIGDZQESHC-ZIAGYGMSSA-N 442.361 4.574 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1748706987 XFKJOLLJMXZHPY-OAQYLSRUSA-N 435.959 4.683 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1748937408 JXFPQWPUETUYRV-LPHOPBHVSA-N 438.469 4.824 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1749039911 FLSLEAKAPPKYKC-RTWAWAEBSA-N 428.671 4.654 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1749085370 AXAMHKQPYPFPAU-ZWKOTPCHSA-N 433.394 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1749133556 NCPBIIZCKGGULM-VRVBVOGLSA-N 447.048 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)CCC 1749146821 OFTFLZJOYHYTNZ-OAQYLSRUSA-N 435.410 4.970 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCCc1c[nH]nc1C 1749147414 HZQMZTMGNHBGPE-UHFFFAOYSA-N 443.393 4.774 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@](C)(OC)C2CC2)CC1 1749293567 BOYCCRWVIPRQGW-VWLOTQADSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)OC)CC1 1749329122 GTVPXLLUWBHMEN-SFHVURJKSA-N 428.577 4.644 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749400476 CAQVURMHJZXSBN-NRFANRHFSA-N 425.596 4.677 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1749433379 HLXCVQGUWRYSMP-UHFFFAOYSA-N 430.543 4.743 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@@H]1C(C)C)C1CC1 1749510655 NOLVFTCRTIJHCR-FXAWDEMLSA-N 432.515 4.762 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N(C)C 1749541942 WXDNMVKTMHHJEP-HXUWFJFHSA-N 425.552 4.803 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1749557281 HFDUXUIMRDJRIK-ACESQOTJSA-N 429.653 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)nc1 1749563466 IFEDODUHJWLVSH-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)CN1CCCC1 1749564965 HALGNOGXPAZLDA-SFHVURJKSA-N 444.421 4.618 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)Cc2cccs2)C1 1749713919 AUXXLHZOTXEROA-KNQAVFIVSA-N 436.625 4.899 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC(C(C)(C)C)C2)C1 1749719355 SYLCZHXLQXCMHI-AOMIVXANSA-N 435.572 4.507 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1760102658 OBDVIVABRUJTAH-JXHRLWIKSA-N 449.624 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCCS1 1760123454 GJASKRYHYFKATM-GOEBONIOSA-N 439.412 4.908 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN(C)C1CCCCC1 1760125848 UYTMFWIMTDMYSZ-NRFANRHFSA-N 439.673 4.991 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1760164705 YKMQYYWAVCGGPA-QNWVGRARSA-N 438.616 4.946 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H]1CSC 1760276099 SQBRIZQUSNYNKQ-SFHVURJKSA-N 446.711 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)S[C@H](C)C1 1760415692 IEANJYLXSNLZHY-HDICACEKSA-N 430.618 4.798 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1760442696 GMJAEOAUFDKFOI-KNQAVFIVSA-N 438.597 4.894 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@@H](C)N1CCCCC1 1760457913 LWVNWDWGKFNHBK-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H](c1cccs1)N1CCCC1 1760465272 ALXJYKNUMCDBCN-HXUWFJFHSA-N 425.577 4.529 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1Cc2ccccc2C1)C(C)C 1760488402 UJRJZYMKSUFCGY-XMMPIXPASA-N 428.584 4.559 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CC(F)(F)Br 1760498358 OLVAMTQEXIZAFM-UHFFFAOYSA-N 441.276 4.662 30 10 IJEE C=CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1760510026 BJDNMRKYBYYHJN-INIZCTEOSA-N 441.567 4.524 30 10 IJEE O=S(=O)(c1ccc(-c2csc(NN=Cc3ccccc3)n2)cc1)N1CCCCCC1 1772721396 PBVQFJCUJGCQGP-UHFFFAOYSA-N 440.594 4.821 30 10 IJEE CCCCOc1ccc(C=NN=C2NC(=O)[C@@H](Cc3ccc(Cl)cc3)S2)cc1OC 1772742047 VZNLTTIPQXDYBZ-HXUWFJFHSA-N 445.972 4.692 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2O[C@@H](CC)C(C)=O)SC1=Nc1cccc(O)c1 1772762847 IMPDAKYQJWXKCS-SPIURHJSSA-N 436.533 4.929 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)c1C#N 1860630712 WJYNSCCMVDUVHV-UHFFFAOYSA-N 449.498 4.825 30 10 IJEE N#Cc1c(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CCC2 1860798933 KMSMJORULNGADR-UHFFFAOYSA-N 442.547 4.871 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(O)cc2)cc1 1862389917 QOTKUSUAKAVWFF-QHCPKHFHSA-N 437.536 4.738 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862391875 KFYMOPYXGPGSNA-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862411385 GTRFRNQPWLHHDR-OAQYLSRUSA-N 439.389 4.588 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C)cc1 1862429048 FAXINGBUSPUCRB-NRFANRHFSA-N 426.944 4.569 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)ccc1F 1862507822 VCAPDJUZNAKIGH-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 1862533770 OMWAHJXPLCMCCH-DEOSSOPVSA-N 445.490 4.915 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2F)cc1 1862534344 REGJUJZPVZKNEN-JOCHJYFZSA-N 443.490 4.921 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1OC 1862553776 ORBYVBMJULRQQM-HSZRJFAPSA-N 435.520 4.571 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(F)c1 1862649906 JJDWCMJJENDKAA-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1Cl)c1cccc2ccccc12 1862659029 YFECOBMGYAYPSZ-HXUWFJFHSA-N 442.298 4.717 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)ccc1O 1862678938 YEYCPHAMMARDHI-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CC(C)Oc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862776584 VZLSLNMIWDPFMG-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1 1870002637 SHJQKTLGAJKHEH-OVCLIPMQSA-N 449.942 4.760 30 10 IJEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870108781 XXECOXFWUGQUKK-JOCHJYFZSA-N 441.922 4.816 30 10 IJEE Cc1cccc(C(=O)Nc2c(C#N)nnn2-c2ccc(OCc3ccc(Cl)cc3)cc2)c1 1870156190 ADGGYZYJFFYOPR-UHFFFAOYSA-N 443.894 4.932 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCC)cn1CCCCCCCC 1870517325 BZAZVDFJMMQGGY-UHFFFAOYSA-N 445.648 4.678 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871388785 DCOKYJQGVJEWJD-XKZIYDEJSA-N 432.403 4.977 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1 1871448225 ITQAOGANQGYPAE-NXUSMQHESA-N 431.444 4.813 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccccc1 1872454608 YIIYGIPBFIOIPF-NRFANRHFSA-N 434.989 4.879 30 10 IJEE N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)s2)cs1 1872789929 ZDTPTXLIQNQOHM-GJZGRUSLSA-N 441.965 4.750 30 10 IJEE Cc1sc([C@@H](C#N)C(=O)CN2CCCCCC2)nc1-c1ccc(Br)cc1 1872799287 GJGKWDBLJXDOKK-KRWDZBQOSA-N 432.387 4.933 30 10 IJEE C=CCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(Cc2ccc(OC(C)(C)C)cc2)C1=O 1873119818 OXTSYRQNPJTHPW-UHFFFAOYSA-N 432.564 4.845 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(F)c(Cl)c1)n2Cc1ccco1 1873614811 DGAUIBCIUCIFMJ-UHFFFAOYSA-N 425.851 4.715 30 10 IJEE CCCCCCCCCOc1ccc(/C=N/N=c2[nH]c3ccccc3[nH]c2=O)cc1OC 1873792327 CBSKOPSTNZMBIQ-NLRVBDNBSA-N 436.556 4.929 30 10 IJEE CC(=O)N1[C@@H](C(=O)Nc2ccc(C#N)cc2)Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1 1873864425 IVQJPWMHMWDJPC-AOYPEHQESA-N 434.499 4.541 30 10 IJEE Cc1ccc(OC(C)C)c(NC(=O)CCc2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)c1 1873958367 XNHSJDZJMZBPOI-UHFFFAOYSA-N 442.519 4.628 30 10 IJEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1cc(Cl)ccc1O 1874312278 LLFCMLNLIWKAOR-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(O)c2)cc1C 1874452430 VIDKUDFEYNWRFX-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 1874492314 ICJQNCMPZSKOHH-QVWJKXSPSA-N 435.597 4.637 30 10 IJEE Cc1ccccc1/C=N/n1c(SCc2nc(O)c3ccccc3n2)nnc1C1CCC1 1874496834 HCIMCHHHCIJLFB-ZMOGYAJESA-N 430.537 4.677 30 10 IJEE COCc1nnc(SCc2cccc(C)c2)n1/N=C/c1cc(Br)ccc1F 1874498193 VXCCUAHQZFBCLL-LSHDLFTRSA-N 449.349 4.809 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2)o1 1874513074 GHRMSBLEIFYEFX-SSDVNMTOSA-N 432.933 4.999 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cn(C)c2ccccc12 1874522197 HLQACBJMHNWUSQ-DHRITJCHSA-N 446.580 4.562 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874535650 QGLSYEXMLUXLFX-HJQVIKLGSA-N 448.379 4.745 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)NCCC 1874615146 JPHHIEKEOCHBEU-NTEUORMPSA-N 437.536 4.624 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCO 1874666258 JJDFBKZZHWKQIN-XMMPIXPASA-N 443.632 4.615 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 1875116439 BJJJADBDEDGNBI-LREOWRDNSA-N 444.159 4.721 30 10 IJEE O=C(COc1ccc(-c2ccccc2)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 1891683675 PUBRAQYNSSIZHS-UHFFFAOYSA-N 439.433 4.950 30 10 IJEE Cc1ccc(CN2CC[C@@]2(C)CCOCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 1892547421 VWUJMMFHEWBTBW-MHZLTWQESA-N 435.417 4.866 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1COC[C@@H]1N(CCC)C(=O)OC(C)(C)C 1922087009 VOIIMNZMKKLMGU-HJOGWXRNSA-N 446.632 4.790 30 10 IJEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1922772200 QUQAIWJKRGKIJU-LJQANCHMSA-N 435.487 4.715 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1943910160 GOTAGXXWVDGRDM-FDDCHVKYSA-N 431.533 4.776 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1943910162 GOTAGXXWVDGRDM-MBSDFSHPSA-N 431.533 4.776 30 10 IJEE CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)O)co1 1952497333 AQKDIKYIHRVMHR-IBGZPJMESA-N 438.505 4.661 30 10 IJEE C=CCN(CC[C@@H](O)Cc1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2047978558 FSBQHUSSMBLAIG-CYBMUJFWSA-N 436.749 4.958 30 10 IJEE CC(C)(C)OC(=O)c1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1[N+](=O)[O-] 2079196813 KRYBOUHMOFXQBF-UHFFFAOYSA-N 443.275 4.913 30 10 IJEE CNCc1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1Br 2079240725 VGDNIZKJXLBCBA-UHFFFAOYSA-N 434.153 4.590 30 10 IJEE CC1(C)OB(c2ccc(CN[C@H]3CCCCCN(Cc4ccccc4)C3)cc2)OC1(C)C 2094845892 WEPFRUBYHSIXCT-VWLOTQADSA-N 434.433 4.520 30 10 IJEE Cc1cc(Br)c(NCc2occc2B2OC(C)(C)C(C)(C)O2)cc1Cl 2101330051 XSNJETIAYHSWGO-UHFFFAOYSA-N 426.547 4.915 30 10 IJEE CC1(C)C[C@@H](Nc2cc(Br)cc(F)c2C#N)CN(C(=O)OC(C)(C)C)C1 2107444059 QFZXHVJBPKTLIV-CYBMUJFWSA-N 426.330 4.907 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2118194422 LKYWMIZJBZBXQZ-WBMJQRKESA-N 426.330 4.589 30 10 IJEE C[C@@H](c1cc(Br)cs1)N(C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2130036831 ICNVSPFOPUCPBV-JSGCOSHPSA-N 444.395 4.617 30 10 IJEE Cc1csc(CNC(=O)c2cc(Cl)c(Cl)s2)c1B1OC(C)(C)C(C)(C)O1 2157014671 WOJFMTUPDOKSRY-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C[C@@]1(C(F)(F)F)CSC(=NCc2c(Br)cccc2Br)N1 2161388713 PRXKUAKUTVWTND-NSHDSACASA-N 432.103 4.725 30 10 IJEE N#Cc1cc(Br)ccc1O[C@@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2162006296 NVAISGNAPRWAHO-CTNGQTDRSA-N 430.298 4.682 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)[C@@H]2CCCC[C@H]21 2174562216 KUQSHTVXLGTFIP-RTBURBONSA-N 434.378 4.685 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2c1ccc(C#N)c(Br)c1F 2174813605 YGZDJJBMXCOAPH-GOOCMWNKSA-N 438.341 4.874 30 10 IJEE C=CCC[C@](C)(CN)N(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2194736758 PMNLWQVWUYGCLR-OAQYLSRUSA-N 440.426 4.854 30 10 IJEE C=CCC[C@@H](N)C(=O)c1sc(Br)c(Br)c1Br 2212188745 DMOWXSGOZUTBOX-RXMQYKEDSA-N 431.975 4.512 30 10 IJEE Cc1sc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c(Br)c1C 2229369500 MSVZQCAADSHZAC-UHFFFAOYSA-N 426.185 4.531 30 10 IJEE CN[C@H](C#Cc1ccc(C)cc1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2231148397 LNZDTZKWDSIGSQ-LEAFIULHSA-N 448.607 4.779 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2235727164 JXQLIAAMDMRXSS-WSTZPKSXSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1cccc(NC(=O)OC(C)(C)C)n1 2235733495 UOJXJJJNPMVCMK-KRWDZBQOSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](C(=O)C#Cc3ccccc3Br)C[C@@H]21 2235734124 VZVAUSHYJAMXCE-SCTDSRPQSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@H](N)C#Cc3ccccc3Br)cc2C1 2235750649 XKKTXSLYRQFIAT-QGZVFWFLSA-N 447.398 4.855 30 10 IJEE Cc1cnc(NCCc2cccc(OCc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2241061042 DRZQCGNXJVGHEM-UHFFFAOYSA-N 444.384 4.923 30 10 IJEE C=C(COCc1ccccc1)[C@@](CN(C)C(=O)OC(C)(C)C)(OCC(=O)O)C(C)(C)C 2252120906 GKUBCHXEAZMZLD-XMMPIXPASA-N 435.561 4.512 30 10 IJEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2267520204 LYOSTUSQOVYQDE-IBGZPJMESA-N 437.389 4.681 30 10 IJEE CC1(C)OB(c2cccc(F)c2CN2CC[C@@]2(C)CCOCc2ccccc2)OC1(C)C 2273974221 WPEGWJPZBQIFQA-SANMLTNESA-N 439.380 4.696 30 10 IJEE Cc1ccc(C(=O)N2CC[C@@]2(C)CCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2282113244 NXIDSKAKKLEFCK-MHZLTWQESA-N 449.400 4.506 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2296218025 ZZKXWOUWUGPNKK-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2296267340 RXXPIHGHJXBXRE-AQNXPRMDSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@@H](O)C#Cc2ccc(Br)cc2)C1 2296284664 TUHRPOMBJBXPCJ-HKUYNNGSSA-N 436.390 4.835 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)Cc1ccc(NC(=O)OC(C)(C)C)cc1 2296306409 GWQUSZKMVQHATC-FQEVSTJZSA-N 429.358 4.978 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(C)c(F)c3)S2(=O)=O)cc1 2297378349 DIOSYVZIEZTQOO-UHFFFAOYSA-N 442.537 4.990 30 10 IJEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2317346517 JHDLLDOFVAHFKY-FIFPYPGSSA-N 431.386 4.830 30 10 IJEE N[C@H](C#CC1[C@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319048755 VYDSSVWVMPITHC-TWJOJJKGSA-N 425.528 4.740 30 10 IJEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C=CC(=O)O)cc4)ccc3C2=O)c1 2323606909 MVSSWAOHSAZLMN-UHFFFAOYSA-N 426.424 4.928 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1nccs1 2323777632 NICKDULZXYMRAV-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(OCCCO)c([N+](=O)[O-])c1 2324326112 WCYSVXXTPLFXCZ-UHFFFAOYSA-N 426.252 4.568 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OCCCO 2324522252 LVGMSFXLZPGTPD-UHFFFAOYSA-N 425.308 4.976 30 10 IJEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)cc(C)c3C2=O)o1 2325307040 HKGMSAUHWJFZIN-MRXNPFEDSA-N 428.444 4.790 30 10 IJEE COc1ccccc1CC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745418 KXCMJMZYXPYQFK-UHFFFAOYSA-N 430.456 4.511 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cccc(C)c2)cc1[N+](=O)[O-] 2326379817 BXVIFXRRFBWTDW-UHFFFAOYSA-N 425.514 4.630 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C=C(C)c1ccc(CC)cc1 2329489630 SCFLYIWWFHPNAH-RUZDIDTESA-N 434.555 4.720 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330118682 FZVUXBYAKVQFLB-CYBMUJFWSA-N 449.363 4.884 30 10 IJEE Oc1nc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)nc2ccccc12 2330597307 PHXIWMZIWZTNHR-UHFFFAOYSA-N 444.545 4.830 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccc(OCCC)c1 2330619703 YECCJMCEFFSSEY-UHFFFAOYSA-N 444.582 4.723 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(O)c2)c1C 2331029802 BPYVYGXSHCAXCF-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331100526 USYYGUSTPUVJLF-UHFFFAOYSA-N 431.391 4.873 30 10 IJEE Fc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc2c(c1)OCCO2 2331208336 SWEIZHKABTXZNX-UHFFFAOYSA-N 436.468 4.623 30 10 IJEE C=C(C)CSc1nnc(COC)n1N=Cc1ccc(OCCCCCC)c(OC)c1 2331573713 CJNYGDMAVAXNAL-UHFFFAOYSA-N 432.590 4.943 30 10 IJEE C=C([C@@H](OCC(=O)O)c1sc(Cl)cc1I)[Si](C)(C)C 2341034729 JZNWWMKCOICAGA-LLVKDONJSA-N 430.767 4.582 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1-c1ccccc1 20838483 OENUIBVMXNHXBC-UHFFFAOYSA-N 437.594 4.717 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1OC 33385638 ZHCUFQRFXHMZGF-XZNKGKGBSA-N 428.440 4.939 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)c1 34955434 APFMJXNVBCWIFP-ACCUITESSA-N 448.471 4.836 30 10 IJEE COc1ccc(/C=C2/Oc3c(CN4CCCC4)c(O)c(CN4CCCC4)c(C)c3C2=O)cc1 37858154 SFOSHNZCIPVPGU-HZHRSRAPSA-N 448.563 4.517 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CC=C)cc1OC 38594322 HRMFGUBVNGQBFZ-QHCPKHFHSA-N 431.488 4.714 30 10 IJEE COc1ccc2oc(=O)c(C(=O)Nc3sc(=S)c4c(c3C#N)CC[C@H](C)C4)cc2c1 41018486 UPMBXFAFTGSSQI-NSHDSACASA-N 438.530 4.841 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OCC(=O)OC(C)C)cc(C)c3C2=O)c2cc(OC)ccc21 41502694 DAFUHLCNGCFAHI-RMORIDSASA-N 449.503 4.925 30 10 IJEE COc1ccccc1/C=N\N=C1\S/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1 47138430 VTFAZDMGOIIVJO-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101109731 CYZOUOMXVNPTMM-CFRMEGHHSA-N 439.368 4.657 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 102715271 QVAWUGQAMPNHQP-GOBJLOIFSA-N 438.867 4.661 30 10 IJEE N#CCCn1cc(/C=C/C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c2ccccc21 108880942 KMXKKIDNOWPFGG-IZZDOVSWSA-N 431.511 4.572 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2cccs2)cc1 169921491 YAAIBYJLXIHWNO-GOSISDBHSA-N 440.546 4.609 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccs2)c1 169981903 VMUQKMIXHRNBDO-NRFANRHFSA-N 435.501 4.938 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2)cc1 170055419 GZBQIXSFEIXZPA-XMMPIXPASA-N 443.499 4.872 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)cc1 170169169 WCRUNWNJYGZNDT-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170261014 RGDLOAPZQYXULO-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC(C)C)cc1 170265117 JDXYVNQECNVTTM-QHCPKHFHSA-N 433.504 4.999 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C2CCCC2)cc1 170268547 JSIRAEWJEIXXRL-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)c1 170279192 JTWFVIAOWAQZKA-IQMFZBJNSA-N 445.471 4.785 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(C)o2)cc1C(C)C 170298659 RVYDACGIXCSLBS-JOCHJYFZSA-N 441.524 4.723 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(C)o2)cc1OC 170305458 UJVOJGHTYCQVPD-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(O)c(-c2cc(-c3ccc(C#N)cc3)cc(NCC[C@H]3CCCN3C)n2)c1 247894501 NVUIMEIKVHVZMB-OAQYLSRUSA-N 428.536 4.898 30 10 IJEE COc1ccc(-c2csc(N3N=C(C)C(=NNc4cc(Cl)ccc4C)C3=O)n2)cc1 252461442 MMLIWTBSECJQIQ-UHFFFAOYSA-N 439.928 4.971 30 10 IJEE C=C(Br)COc1c(Br)cc(Br)cc1CNC(C)C 310909512 OREQNVADNZQGQG-UHFFFAOYSA-N 441.989 4.997 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(Br)c1OC 406112302 SAWJFJKMLJIHGY-CYBMUJFWSA-N 428.323 4.509 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(OC)ccc1Br)NCCC 407667238 JKICGZZMCSJFIQ-RTBURBONSA-N 441.410 4.838 30 10 IJEE C=CCn1c(SCc2cncn2Cc2ccccc2)nnc1[C@H]1COc2ccccc2O1 445605972 WJTBRJLVYOBCNL-JOCHJYFZSA-N 445.548 4.514 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 464239030 XOMKDEWGVMCJRR-WAIKUNEKSA-N 443.544 4.704 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1cc(COc3ccc(Cl)cc3Cl)on1)CCCC2 484151289 ZWRQADNVNUCZDK-UHFFFAOYSA-N 443.290 4.958 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 508359619 HKJZYXAGLQZKKT-SFXNQUKZSA-N 433.955 4.613 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2c(Br)cccc21 524403701 IDOYZTPJCKRLBG-IBGZPJMESA-N 430.302 4.742 30 10 IJEE CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@H](C)n2cnc(C#N)n2)cc1 538402227 VBPRUGODHWDHDF-ZDUSSCGKSA-N 445.401 4.559 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 549644826 DQPYVVKEHCDWAY-AZUAARDMSA-N 446.530 4.934 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc2c(c1)CCC2 733200588 GLJHDZROOGSJEW-HSZRJFAPSA-N 445.588 4.776 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 733201923 MWPFEVXGDMXSIM-NRFANRHFSA-N 437.540 4.735 30 10 IJEE C#CCN(C(=O)N[C@H]1CCc2c(F)cccc21)[C@H]1CCOc2ccc(Br)cc21 733344064 SRWNBQZOCHSVIV-PMACEKPBSA-N 443.316 4.744 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(O)(c3cccc(C)c3C)CC2)cc1 743120929 JCLIWFQPXVEBHC-UHFFFAOYSA-N 447.579 4.633 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 745062036 VZJDRYKCSYXSMB-UHFFFAOYSA-N 425.485 4.699 30 10 IJEE C[C@H](OC(=O)c1c(Cl)cc(F)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 763566356 DTJCNWLLMPCNQA-QMMMGPOBSA-N 427.284 4.738 30 10 IJEE C[C@H](CSCc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 773218878 GQYWSYXLCXQYON-CABCVRRESA-N 428.579 4.548 30 10 IJEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1sc(-c2ccccc2)cc1C#N 779343108 YFBLRLXJBVQIRD-HXUWFJFHSA-N 449.532 4.557 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C#N)cc2F)cc(Br)c1OC(F)F 781108032 MPDSWYUGKZQZSM-HWKANZROSA-N 426.188 4.966 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C)c1ccc(Cl)cc1F 804423288 LCAJKJOFVZVZRI-LEDOBFOHSA-N 437.902 4.542 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N(CCCCF)C2=O)cc1 812221939 FOQQAGJOFXUHNK-SFHVURJKSA-N 447.557 4.661 30 10 IJEE Cc1ccc(NC(=S)NN=Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1F 1084165039 FIOYXAUYBFCXHQ-UHFFFAOYSA-N 429.952 4.970 30 10 IJEE CC(=NNc1nc(SCC(=O)NCc2ccc(C)cc2)n[nH]1)c1ccc2ccccc2c1 1084488478 VRWXRMLDQJYRRN-UHFFFAOYSA-N 444.564 4.511 30 10 IJEE C#CCOc1ccc(C(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc1 1125781446 PNEWIVFXNWOSQO-UHFFFAOYSA-N 435.907 4.740 30 10 IJEE C=C(C)[C@H](NC(=O)c1nc(Br)ccc1Br)c1ccc(F)c(F)c1 1128142459 WGDUJTFYADKFPX-AWEZNQCLSA-N 446.089 4.932 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1129819052 GHCLPVWHFOVTGU-JTHBVZDNSA-N 427.470 4.506 30 10 IJEE N#Cc1ccc(Br)c(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 1189901218 BTZGVQUAJWZIGY-UHFFFAOYSA-N 430.327 4.540 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 1194162656 GMEARKHBWKMMMR-UHFFFAOYSA-N 431.923 4.666 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc2c1OC(C)(C)C2 1212256210 AHEXTWJBKDGERF-AWEZNQCLSA-N 438.471 4.522 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(Cc2cccc3ccccc23)CC1 1214911716 DPGJIVVVHDHRMU-UHFFFAOYSA-N 428.536 4.848 30 10 IJEE Cc1cc(C)cc(-c2nnc(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)s2)c1 1216802491 AHMINSHSNRCEMP-UHFFFAOYSA-N 448.552 4.600 30 10 IJEE C#CCN(C(=O)Nc1cnc(F)c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1220164939 AXTXHIDAHCTZMM-OAHLLOKOSA-N 438.684 4.628 30 10 IJEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1 1220217964 PCERKVTZYHBHOG-KRWDZBQOSA-N 425.367 4.857 30 10 IJEE CCCOc1ccccc1Oc1ncccc1CNC(=O)NCCc1ccc(C#N)cc1 1224044401 FVWXYYVJSZWLFD-UHFFFAOYSA-N 430.508 4.576 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2)CCCC1(C)C 1270791873 BUZDAUQQTQMLNL-QHCPKHFHSA-N 446.657 4.931 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1N1CCCCC1 1286306785 YBMGHTDQQYAXML-BGWNEDDSSA-N 449.643 4.693 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@H](SCC)C1 1286337202 BMOYFPQXYMYLSV-FQEVSTJZSA-N 434.613 4.861 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2CCC[C@@H]21 1286508683 PGGSBBPHFKEZSJ-QUCCMNQESA-N 445.032 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCOC1 1286527128 BDMLHGFBVCJGGC-RXFWQSSRSA-N 436.600 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CCC 1286546338 IMAFUQUCDCJMJH-URVUXULASA-N 439.604 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1 1286569012 ZUAMVJKAPQTRPE-OFNKIYASSA-N 437.613 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1286584199 ZOECMPPUQNWTHO-DEOSSOPVSA-N 442.535 4.516 30 10 IJEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCCCC)C(C)C 1286584312 GTFJIGMIQPOBPD-UHFFFAOYSA-N 432.638 4.528 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1286605182 JFDMXUXJHMRZJN-DHIUTWEWSA-N 437.632 4.629 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](CC)C1 1286614150 MJIKLBPXSSIXGG-IBGZPJMESA-N 432.659 4.803 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)CN2CCCCC2)CC1 1286663952 MRTHERAFKRAVTB-HXUWFJFHSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1286667202 IXJDLUUFCMCCBW-FQEVSTJZSA-N 437.632 4.807 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCN1CC 1286753138 VOBJYXOCHSETIN-LJQANCHMSA-N 444.421 4.679 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCc1c(F)cccc1F 1286764108 GHJFJBXHFCCUNM-UHFFFAOYSA-N 437.494 4.633 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=C)Cl)C1 1286804439 NJLBOVZXFVLTSO-NRFANRHFSA-N 437.975 4.886 30 10 IJEE COC(=O)[C@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 1288525163 HQWUQELVIGURTQ-LSDHHAIUSA-N 437.311 4.765 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1CCCCO1 1288961368 HLDFYBOLQSEWOZ-XLNZFTOWSA-N 441.551 4.646 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H]2C(C)C)c(C)n1 1294294706 HJMYTVAWYAMETI-HSZRJFAPSA-N 431.588 4.795 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COCc1ccccc1 1300330560 ZIWPXFXRDCAVNX-KKSHJYNMSA-N 438.616 4.508 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1300340973 AQNUPGDDPSOVKC-AABGKKOBSA-N 442.629 4.951 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1300383502 APZVYLMCHKVIGK-ZEQRLZLVSA-N 449.643 4.761 30 10 IJEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cscc1C(F)(F)F 1300470931 XSQXKWJAHZJMRF-UHFFFAOYSA-N 429.471 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@H]1C(C)C 1300564324 CPFNIKGOQXRJLG-UWJYYQICSA-N 445.394 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCSC1 1300906322 NNFORICWGYIFLO-GOSISDBHSA-N 430.618 4.896 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nnc(C)s1 1300924910 JTFKFFXGDIQDRP-UHFFFAOYSA-N 435.022 4.834 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C)[C@H](OC)C1 1300936508 DFMPGNZIWCTORG-CXAGYDPISA-N 439.785 4.798 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)CCCS2)CC1 1301135027 RIUKVQJEABNDLK-QHCPKHFHSA-N 428.602 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1301151219 JPNIIEYGINFBLZ-UHFFFAOYSA-N 439.652 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2CCCO2)CC1 1301155048 FGGLHMZBDBOCMC-HXUWFJFHSA-N 429.634 4.632 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1ccco1)C1CC1 1301313550 BEHOJKHSGXYQFW-MWTRTKDXSA-N 442.947 4.727 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC[C@@H](C)N1CCCCC1 1301351655 XTCIAGDLLWZEIR-OAQYLSRUSA-N 448.590 4.936 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1301390118 DJFCUAMDKRHYAC-AZUAARDMSA-N 434.544 4.552 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@H]2CCCCO2)C1 1301557893 XRVFSLWIDQBFCH-FGZHOGPDSA-N 445.007 4.653 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(=C)CC1 1301602716 VVEQMACQSNEAJZ-UHFFFAOYSA-N 449.418 4.792 30 10 IJEE C=CCSCCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301620741 JRYCCYWYQTWJHW-RPWUZVMVSA-N 446.661 4.565 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3)C(=O)OC 1307268167 UDVMFFOMTABZNR-GOEBONIOSA-N 434.627 4.839 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(C)C 1310842959 XAPXLFDMHZGBOA-LJQANCHMSA-N 435.494 4.711 30 10 IJEE C#CCN(C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCCc2ccccc21 1313316895 GVYKLNUXMZEATC-JOCHJYFZSA-N 427.470 4.616 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 1320321304 ZVTVKLKUQISANI-HNNXBMFYSA-N 441.534 4.773 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3cccc4ccccc34)n2Cc2cccs2)C1 1321473119 IHKRTCOGQQCAKO-NRFANRHFSA-N 430.577 4.913 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)C1 1325257067 XNOQGUOHBOAPLE-MRXNPFEDSA-N 437.721 4.707 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccc(C(N)=O)cc1)c1ccc(C)c(C)c1 1348840651 LZNFREWGEXCEPP-UHFFFAOYSA-N 444.531 4.579 30 10 IJEE CC(C)(C)c1ccc(Cn2nccc2NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1350826410 BEBGIWUHHVRNNG-HXUWFJFHSA-N 445.542 4.705 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 1352620172 JEJJSQUNZHDFMI-AREMUKBSSA-N 436.555 4.682 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccccc1 1357220731 TVTGMSYHBIOPKH-PKOBYXMFSA-N 427.342 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCN(CC(C)C)C1 1358874807 DCRBJYNSVXAHPB-YADHBBJMSA-N 444.627 4.628 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1nccs1 1358987237 XRYAHTKEIWYEGW-SFHVURJKSA-N 440.576 4.525 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)c1ccccc1 1359074701 ODQHZIRDWKFDBE-YOSAUDMPSA-N 442.554 4.981 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1359149775 HZLOUVIYYANBQR-QZTJIDSGSA-N 441.334 4.643 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCCC2(CCOCC2)C1 1359220783 JIIDMPPKDLSTHU-UHFFFAOYSA-N 442.629 4.942 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H]1CCSC1 1359223473 MCZYPMXYGDCQSC-AEFFLSMTSA-N 432.659 4.666 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCCN1CC 1359232713 BXXOUOYMWQGMHJ-HXUWFJFHSA-N 436.629 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1359234421 OLIMUDGHBWYEJS-MJGOQNOKSA-N 433.394 4.781 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC(C)(C)C1)C1CC1 1359253629 NZSYOTYKBCHRIL-IBGZPJMESA-N 429.609 4.941 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1ncccc1N(C)C 1359275231 OALUZGYFNSTTSE-UHFFFAOYSA-N 442.567 4.591 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(C(C)(C)C)CC1 1359285304 XBBSDQPSENJJGP-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1359310124 NCMJRCUTVCSSAH-VXKWHMMOSA-N 438.616 4.733 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1359324447 LHQOMWFFVUBWLO-UYAOXDASSA-N 438.469 4.633 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCc2sccc2C1 1359338514 YIHJVPCAQHXJCE-UHFFFAOYSA-N 441.582 4.787 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 1436641298 IQEISVBORJJJAQ-UKRRQHHQSA-N 439.350 4.598 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 1437441197 MIMZXLFJNFZALX-UHFFFAOYSA-N 432.545 4.894 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC)c(Br)c1 1448077557 ZIEJLZFHYHUSSA-CQSZACIVSA-N 447.757 4.822 30 10 IJEE C=CCn1c(SCc2ncsc2Br)nc2cc(Cl)ccc2c1=O 1458733653 NVYZLVGOMGKBHQ-UHFFFAOYSA-N 428.764 4.747 30 10 IJEE C=CCSCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 1458830730 GOSLDHBZIMXKRH-QPPBQGQZSA-N 438.593 4.523 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccccc1 1463742582 GVZYOBMAZSAEQI-IBGZPJMESA-N 440.487 4.606 30 10 IJEE C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)C1 1467604948 AWNATYHCWNWWDE-SFTDATJTSA-N 430.596 4.910 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(Br)c(F)c1)c1ccc(Cl)cc1F 1470665490 FQDDBKGEMPTZPZ-KRWDZBQOSA-N 427.676 4.897 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 1471956964 IDLWELVXQSKVKP-UHFFFAOYSA-N 431.327 4.682 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 1475223584 HTZHSFOTDCJHEC-KRWDZBQOSA-N 443.725 4.543 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](c1ccccc1)N(C)C 1507606642 SJICBIKRVXAWPB-OAQYLSRUSA-N 433.625 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)Cc1cccs1 1507671346 HHLPURRXCZYMBD-HXUWFJFHSA-N 441.604 4.753 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1507845099 ATBRRHRGAVCZAZ-GOSISDBHSA-N 448.558 4.524 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCN(C)C2CCCCC2)CC1 1507903345 CKCWGXMHKHCQBH-UHFFFAOYSA-N 427.662 4.987 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1507909898 WTEGINMVZIVZJC-SMTRIPRVSA-N 430.637 4.947 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1507910926 FIVKZHCTKJEVFL-HZPDHXFCSA-N 433.394 4.924 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CC)C1)c1ccccc1 1507927753 CMXKODKBGNZLKE-IGABQKFOSA-N 438.616 4.988 30 10 IJEE Cc1nc(C)c(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)s1 1511491524 BLLGJTGNVKFDSC-UHFFFAOYSA-N 430.940 4.599 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1521577892 GWQCHOXYJMPPIP-DYESRHJHSA-N 434.319 4.821 30 10 IJEE O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 1523465577 HFESYMPGKFFRJJ-ZBFHGGJFSA-N 448.338 4.657 30 10 IJEE C#C[C@H](NC(=O)CSc1nc(C)nc2sc(C)c(C)c12)c1ccc(Cl)cc1F 1525069745 HHDLCYBLZDANDX-INIZCTEOSA-N 433.961 4.992 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(Oc3ccc(OC)cc3)cn2)cc(OC)c1OC 1527042971 VAHGRLMTGRXVBY-UHFFFAOYSA-N 434.492 4.558 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CSCc2ccc(Br)cc21 1527892933 VKZUOAIHJFNIFH-SFHVURJKSA-N 434.355 4.740 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cncc(-c2ccc(OC)cc2)c1 1531613018 SAPKQLYRISZJJV-UHFFFAOYSA-N 433.460 4.500 30 10 IJEE C=CCCC[C@H](C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1ccccc1 1537636054 ZRKGNKKSKAUWAX-UBFBPUDLSA-N 427.585 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1539026502 VXXIPNYWHQEFHF-ZRBLBEILSA-N 435.660 4.668 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1ccc(OC)cc1 1539035492 QIQPNNWVIYCXKX-STZQEDGTSA-N 438.616 4.641 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCCC[C@H]1CC 1539193811 LVFDWZAVGSFWHX-JOCHJYFZSA-N 437.632 4.623 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCC 1539759606 JABJXAAPTSXFBH-OALUTQOASA-N 435.613 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1539779326 UUHUJJDUVMFKRX-IUODEOHRSA-N 426.790 4.814 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1539897293 BPGYUSZRROZEEB-JOCHJYFZSA-N 425.621 4.544 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1539931933 SZSLGTQJFCQPPK-FYZZASKESA-N 430.637 4.803 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1539952831 KIDKEJOTKNLAML-UHFFFAOYSA-N 445.011 4.585 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1539984858 BNJDLDCYUJPOIY-HXUWFJFHSA-N 444.421 4.738 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H]1CC 1540006412 SLZFHLYKVNCRQA-QUCCMNQESA-N 431.625 4.984 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1)C1CC1 1540114577 NJIKEPRVDZVWQC-UHFFFAOYSA-N 429.609 4.565 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC1(CC(C)C)CC1 1540133028 DFTFWKFTIPKNRC-UHFFFAOYSA-N 439.579 4.672 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540142548 MKDGVEGUTQTJMG-JTJHWIPRSA-N 430.618 4.977 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1c(C)cc(C)cc1C 1540187346 OBHUHOPBDAHDEO-QFIPXVFZSA-N 434.584 4.974 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1c(CC)noc1C 1540191975 SWVQIOZNSWBODT-UHFFFAOYSA-N 437.588 4.789 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@@H](CC)C1 1540855154 DHAQAUJQJYWGGG-ZDUSSCGKSA-N 427.799 4.879 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C 1546593614 BXEKDADMLULZTH-UIFIKXQLSA-N 434.613 4.806 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(OC)cc1 1559321039 AVIRPJMTEFNMEY-UHFFFAOYSA-N 426.517 4.708 30 10 IJEE C=CCOc1ccccc1CNCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 1560337647 PYMDXRBMOXBCIV-HXUWFJFHSA-N 426.557 4.692 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2Br)c1 1561220649 DKHWKMNSGHXEBY-UHFFFAOYSA-N 444.325 4.965 30 10 IJEE C=CCC[C@H](NC(=O)NCCC(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 1564406664 KWVLTHTXAWWQQN-FQEVSTJZSA-N 433.474 4.718 30 10 IJEE C#C[C@@H](NC(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)cc1F 1565002529 LFEXXWWFALIXSB-NFBKMPQASA-N 427.951 4.850 30 10 IJEE O=C(O)COc1ccc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 1565518633 BBIKTZUDPWSDEX-UHFFFAOYSA-N 440.565 4.903 30 10 IJEE C=CCN(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 1567821086 FVTCRBFIVWLZFF-HXUWFJFHSA-N 445.350 4.852 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)CCCC1(C)C 1568330197 QJLJSTJKSBVSCS-HXUWFJFHSA-N 431.577 4.996 30 10 IJEE C#Cc1ccc(C(=O)N[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)nc1 1583566345 SWWQRPCXAFPAQQ-OAQYLSRUSA-N 428.385 4.771 30 10 IJEE C[C@@H](CC(=O)Nc1ccc(Br)c(C#N)n1)c1ccc(F)c(Br)c1 1584530115 BZOLTAORJBYESV-VIFPVBQESA-N 441.098 4.750 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(SC)CCC1 1587667544 KARVVMSWKLIWBZ-GOSISDBHSA-N 426.630 4.898 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCCC1 1588266457 QGMBQNYQOCQBSK-GOSISDBHSA-N 430.980 4.616 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H]1Cc1cccs1 1588994029 PPUUSWXWHUFNJZ-IBGZPJMESA-N 438.622 4.593 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN1CCC[C@H](C)C1 1589252214 ZRMJEKRZXNZOHP-SQJMNOBHSA-N 437.657 4.603 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(F)cc(F)c1 1589434351 DLDQQTKCEVNGDT-UHFFFAOYSA-N 425.321 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@@H](C)[C@@H]1C 1589514862 IYVKRSXGOVCMLA-LJCCNALRSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Cl)s1 1589559517 SGXXQHSOSBSTNU-UWJYYQICSA-N 444.004 4.596 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCOC2)CC1 1593817493 DMGLOSARNZAUDG-AEFFLSMTSA-N 434.943 4.563 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1594492178 UMRJXTKTFVGXDF-RBUKOAKNSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1594511872 WWQVWAIQRYAJNU-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1594600547 YGMUNVXBEWAVPS-OAQYLSRUSA-N 446.599 4.588 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1594660901 OMFZXCPCHMAFDZ-GMKZXUHWSA-N 437.632 4.975 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1CSC 1594727175 LLGQKMDUXQOPEO-RBUKOAKNSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@](C)(O)c1ccco1 1595161758 KYYCIWRVAKVNGN-VWLOTQADSA-N 448.592 4.932 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1595343322 JOVWQFDNAOGKFC-GOSISDBHSA-N 441.377 4.548 30 10 IJEE CC(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C#N)c1 1607442094 HTUCBOPEHOBQMZ-FQEVSTJZSA-N 438.576 4.514 30 10 IJEE Cc1noc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc(Cl)cc3)cc2)c1C 1615839993 DZJGMBJTBBUUQH-VAWYXSNFSA-N 431.901 4.554 30 10 IJEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCC1(F)F 1618201642 BWCXHRYWDXEHDI-NRFANRHFSA-N 443.542 4.895 30 10 IJEE Cc1ncccc1NC(=O)[C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 1622933387 CLODAUFUJZYSMP-HNNXBMFYSA-N 449.898 4.856 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 1623169076 KBMBDKFGGQYRRC-DEOSSOPVSA-N 447.551 4.633 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)CC1 1625395461 ZNGOMYUTBGDUOB-OURHYQSXSA-N 444.575 4.796 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)cc1 1628500149 GCHORTIPODQWEH-QHCPKHFHSA-N 436.552 4.818 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)C 1628845096 VYYLZXCCBBXQHY-LEWJYISDSA-N 427.639 4.526 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCOc1ccc(F)cc1 1630345993 SDFMIMPBMJSXNY-UHFFFAOYSA-N 439.300 4.894 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 1630913759 DLXMIBZGKIZJGZ-HXUWFJFHSA-N 433.851 4.605 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)c1ccc(C(F)(F)F)cc1 1631194836 KXOHMNHKVPXFAP-QHCPKHFHSA-N 445.529 4.890 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 1633040932 WRHIKIGRPGKBSU-VWLOTQADSA-N 442.515 4.779 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1633418291 TUGIPAIVDXVJEC-NRFANRHFSA-N 445.485 4.880 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC(c3c[nH]c4ccc(C(=O)OC)cc34)CC2)cc1OC 1635341459 LFHXNYSBLOZQDS-UHFFFAOYSA-N 448.519 4.548 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@]1(C)CCCO1 1635633614 WGAQJJUGAXUXOA-RPLLCQBOSA-N 448.563 4.545 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2ccc(OC)cc2)C1 1636095561 PAWOXFNEZQKDON-UNMCSNQZSA-N 430.589 4.726 30 10 IJEE CSc1ccc([C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N(C)C)cc1 1636321541 GYSUVOXUJZCTCJ-VWLOTQADSA-N 445.588 4.892 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCc2cc(OC)c(OC)cc21 1636779878 VLPCEZJYWZNOIW-PMACEKPBSA-N 446.588 4.837 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)NC[C@H](NCc3ccccc3)C(F)(F)F)c2)cc1 1638719085 HEJGPDBDSYKMED-QFIPXVFZSA-N 438.453 4.752 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)OCC 1642955003 YZDTZRZMLIGPNP-QFIPXVFZSA-N 442.943 4.836 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1645125427 SEXRLIIZRALXHO-AREMUKBSSA-N 428.532 4.587 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 1651573472 PBDQNRRSKNEIFP-HZPDHXFCSA-N 430.643 4.740 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)nnc1-c1cccc(OC)c1 1651850932 PFFVTCGSPNCCFO-NRFANRHFSA-N 448.592 4.963 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2ccc(-c3ccccc3Br)cc2)n1 1652351900 DHMCYKUCNGOAAF-UHFFFAOYSA-N 438.369 4.594 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(C)c(Br)cc1F 1653330903 YAHLJYSVGKMFNP-UHFFFAOYSA-N 438.771 4.988 30 10 IJEE C=CCn1c(SCO[C@H]2CCCOC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1656187309 SNTHSDMFBVUTNE-KRWDZBQOSA-N 428.579 4.865 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)cn2)cc1 1658230424 CIODAIFZJDWNJB-UHFFFAOYSA-N 449.898 4.869 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2sc(Br)cc2C1 1659450609 ZALRGWJNICFTCT-CYBMUJFWSA-N 425.417 4.534 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC(C)C)c1ccccc1OCC(C)C 1660688731 CEOKXYYEQRVKOV-FQEVSTJZSA-N 430.570 4.667 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 1672209409 CZNDGWMDYMVTHT-DOTOQJQBSA-N 433.346 4.690 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)c1ccc(F)c(F)c1 1680280792 QJLWCXUGVUMQQA-KNQAVFIVSA-N 427.495 4.576 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1680762338 RCFVIMINYBXYIR-FPOVZHCZSA-N 434.458 4.531 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc2nc(O)oc2c1 1684267201 HDKLQAROAHJZBI-GFCCVEGCSA-N 448.292 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(SC)CC1 1689857757 BUTFNCBXEARDOQ-QGZVFWFLSA-N 433.021 4.605 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CCCC2)C1 1690163551 IZJUBUUUZIOZRM-UHFFFAOYSA-N 431.005 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC=C(C)C 1690204250 DVBRFFMFENNRLW-CJFMBICVSA-N 441.620 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnccn1 1690240832 LATDNGMLQNTWLV-OFNKIYASSA-N 446.599 4.650 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC)CCc1cccs1 1690244077 SPTFZIFJSHGVFJ-WIYYLYMNSA-N 425.602 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC(OC(C)C)CC1 1690247835 HBVYTSWQKUIYQL-WIOPSUGQSA-N 438.616 4.552 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@H](C)C1 1690250602 JIRPBBBFQJKONF-XTJBDQBJSA-N 438.616 4.680 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCCCO)c1ccccc1 1690325699 FVISBKIIVJIPTQ-FGZHOGPDSA-N 426.605 4.509 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(C)CCCS2)CC1 1690414652 FPHWERKPFHMYGF-DEOSSOPVSA-N 426.630 4.760 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOC[C@H]1C 1690424613 VCDPEXCNEUNABE-OAHLLOKOSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1690435574 BIFSLAOPKOCWLR-UHFFFAOYSA-N 431.588 4.631 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(Br)o1 1690475652 YMRBOMWYACTLEN-UHFFFAOYSA-N 446.305 4.811 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1690486877 XCISNEULLFTYPH-QFIPXVFZSA-N 433.556 4.589 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccco1 1690559170 AKDBUBHOHXFVJP-VWLOTQADSA-N 431.540 4.501 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1C 1690609673 WTBKTGVSBJNFNC-MJGOQNOKSA-N 425.602 4.898 30 10 IJEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC3(CCC(F)(F)CC3)C2)cc1 1690681273 LNSPSOOTGDOCRM-UHFFFAOYSA-N 446.542 4.834 30 10 IJEE Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)no1 1692994217 GGLJSOCKJRHHDS-MRXNPFEDSA-N 440.935 4.546 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCSC1(C)C 1705619464 RJQAEQOUDHLEKB-LJQANCHMSA-N 435.572 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCOC(C)(C)C 1705694454 BHTMTINPVHDMCA-UGKGYDQZSA-N 438.572 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705706843 ZXTGMGDAJYTJBA-XTJBDQBJSA-N 430.637 4.633 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(Cc1cccc(F)c1)C(C)C 1705707885 UFQNJZMLDCIKJP-CEMLEFRQSA-N 428.552 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](C)C1 1705709938 UEHCGWPEKYHUOC-KCESLBEFSA-N 442.629 4.652 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705778016 XWGGVVVAFPEXKJ-OALUTQOASA-N 444.023 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H](C)CC#N 1705794969 ZVLZDXSQFJLYJR-INIZCTEOSA-N 446.393 4.960 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1705816310 AYCXXIGOPQXBHY-QFIPXVFZSA-N 433.556 4.973 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCO[C@H](C)C1 1705863203 KTEIOKWLWKYUKJ-WIYYLYMNSA-N 437.613 4.642 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705863698 BUGGDUUTAMBOEI-DLBZAZTESA-N 441.567 4.930 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705888326 RCKOEDADNSTSGU-ZSZQSSIHSA-N 431.378 4.917 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC(CN(C)C(C)C)CC2)nnc1C(C)(C)C 1705914014 DNMRXZZBEZSEFG-UHFFFAOYSA-N 439.648 4.745 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)Cc2ccc(OC)cc2)C1 1705919803 KZKSCUIKWVSIDV-AVRDEDQJSA-N 436.556 4.515 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1709246076 HSZFGIFERKZHFX-YOSAUDMPSA-N 425.552 4.742 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)[C@H]1C 1722327590 GSKVBWNSUMLCLX-OLZOCXBDSA-N 425.421 4.513 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(C(C)C)n1 1722413805 JWJHANYPKLKXDS-UHFFFAOYSA-N 428.005 4.804 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCN(CC)CCC 1722467974 DWCNIEJAYFGSOA-AREMUKBSSA-N 430.600 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC)CC1 1722499771 ASHRHWWUXZZEBT-XXBNENTESA-N 428.552 4.604 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(C)(C)C 1722500564 CHIIXUDBGIBKCK-OFNKIYASSA-N 426.605 4.937 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCC2CCC(OC)CC2)CC1 1722570099 UQBWMZKFIVYPOV-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)c2ccccn2)CC1 1722580172 YLJHPTSFBAMFSP-UHFFFAOYSA-N 431.584 4.941 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@H]2C[C@H](F)C2)CC1 1722580507 KMYYDKVCWPIGTP-UFYCRDLUSA-N 447.599 4.891 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1nncn1C 1722584784 XLJRYBJIEYJFIA-LEWJYISDSA-N 433.604 4.892 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1722642965 VNOAKVKJDQJMQG-GOSISDBHSA-N 434.053 4.966 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](CC)N1CCCC1)C1CC1 1722647382 SZWVWKDKBHUEFD-IBGZPJMESA-N 444.421 4.737 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccco1)N(C)C 1722663199 VZBSWONSXHPRLF-OAQYLSRUSA-N 448.596 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCc1csc(C)n1 1722664087 PMFXCEJDOSAJME-LJQANCHMSA-N 429.615 4.781 30 10 IJEE CS[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1731032853 DSNSMDAICGAJES-AUUYWEPGSA-N 434.407 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CC1CCC(F)(F)CC1 1740659387 VFZSSHVGKDBOLQ-UHFFFAOYSA-N 446.929 4.799 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCCC1 1740662896 YQLJRUBCNBGPIU-QFIPXVFZSA-N 437.632 4.759 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740674472 IMVCACBIWALVJP-BKMJKUGQSA-N 438.616 4.962 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCCC1(F)F 1740681915 GHFMPCLKISCLMW-SFHVURJKSA-N 428.483 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCSC1 1740724423 CBAJBBMOBAVBLC-IEGUWTFLSA-N 428.577 4.693 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1740782618 IXGCJECDXRLGCT-SFHVURJKSA-N 427.593 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740844975 ZQBIMFUZWHHSOU-PMACEKPBSA-N 430.980 4.585 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1csc(Br)c1 1740848026 AEQARROHXFUAOR-HNNXBMFYSA-N 439.423 4.845 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1Cc1c(C)coc1C 1740916847 ZBYIWUSUUJOHGN-UHFFFAOYSA-N 438.535 4.586 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)C(C)C 1740922867 VPQPOUWUTBSFEK-QHCPKHFHSA-N 426.586 4.615 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2CCCC2)C1 1740974479 FXUQOYMDZGZEGK-OAQYLSRUSA-N 440.588 4.712 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1748703243 YAQNPZOINSALOK-UHFFFAOYSA-N 430.600 4.911 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1748709388 TVSGKEURABKHIS-DEOSSOPVSA-N 444.627 4.569 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749029274 PXQGJEFTKBUBTE-QGZVFWFLSA-N 445.013 4.604 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1749047521 YCWNXNOIZBYRKK-XMMPIXPASA-N 440.588 4.689 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2OCCC2(C)C)CC1 1749293933 YPUNJCXVNHNUJS-GOSISDBHSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC(F)(F)CO2)CC1 1749329548 OUPMHQIUTPJMGL-ICSRJNTNSA-N 446.542 4.862 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1749402706 QVFNCFVGGTWAEM-WIYYLYMNSA-N 430.980 4.760 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749408432 JBKVJDKEMUHUNZ-HDICACEKSA-N 431.531 4.841 30 10 IJEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1749512705 ASPANKGFMDLXSY-PMACEKPBSA-N 447.505 4.973 30 10 IJEE CC(C)(CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1)C1CC1 1750523744 ATKNPFHGSDHKJI-UHFFFAOYSA-N 425.552 4.953 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H](C)CC#N)C1 1752138977 CRMJIQBJLXGYHW-BRWVUGGUSA-N 432.975 4.596 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCC2=CCCCC2)c1 1760128063 WTOZPGHWIQTKNX-UHFFFAOYSA-N 445.611 4.958 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1760133008 WLZYEQQPRUBSNB-UHFFFAOYSA-N 447.558 4.893 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCCC1(C)C 1760228831 UAWVOSQAVKODIW-DEOSSOPVSA-N 426.630 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1cccc(COCCOCC)c1 1760294181 PUCVTKJKZUHNKB-AREMUKBSSA-N 436.600 4.529 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](C)C1 1760299028 DZPUSCJXCDVHNC-PBQROFAYSA-N 441.620 4.778 30 10 IJEE C=C(Br)Cn1c(N2CCO[C@@H](CCC)C2)nnc1C1(c2ccccc2)CCC1 1760313525 CFYVOOKOMQJCTM-IBGZPJMESA-N 445.405 4.662 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1cccs1 1760323603 FGLPFRAWJBPNAN-WMZHIEFXSA-N 438.597 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCCCC1 1760330452 CXLMRQGNQZWQKV-UHFFFAOYSA-N 433.604 4.614 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(F)cc(F)c1 1760335655 PIMFWMRFWSSOFJ-XMSQKQJNSA-N 439.510 4.544 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1760385980 GMKWRBONWUOQOK-IBGZPJMESA-N 425.577 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760415288 UABNHXTZUGYVKT-UHFFFAOYSA-N 426.527 4.961 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1760420692 UFJSZJFSFCXKOW-TZBSWOFLSA-N 444.627 4.543 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)c(OC)c1 1760457670 CBOVMZXVKYSRNZ-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE COCC(C)(C)CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](F)(C#N)C1 1769165938 FFROTUKYQUXOFV-QFIPXVFZSA-N 449.958 4.502 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC(F)(F)C2)c1 1769911940 BRJTTXKWQWMYFP-KRWDZBQOSA-N 445.514 4.528 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1C 1770548034 CJHNHNXYLCLAMX-HBFSDRIKSA-N 427.618 4.743 30 10 IJEE CCCOc1ccccc1/C=C1/SC(=Nc2ccc(C(=O)O)c(O)c2)N(CC)C1=O 1772762758 PLSWDAUQPNDWGG-PTOVGEMASA-N 426.494 4.503 30 10 IJEE CC(C)Cc1nc2ccc(C(=O)NCCCCCC(=O)Nc3ccccc3C#N)cc2[nH]1 1860884176 ZEPLMCZLNFELAE-UHFFFAOYSA-N 431.540 4.562 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C 1862403712 COMSDJNVBFAODP-NRFANRHFSA-N 438.480 4.536 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(OC)c1 1862458374 MKAYNYQOXCIUPC-FQEVSTJZSA-N 433.426 4.881 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1F 1862524235 ZZWONBUUBIOBQS-SFHVURJKSA-N 432.289 4.967 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCO)c1 1862719864 PYRBNDVSIKKTAK-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccccc1C 1864999501 VWUFPZBWWDOGQI-OAQYLSRUSA-N 438.616 4.852 30 10 IJEE CC(C)c1ccccc1-n1nnc(C#N)c1NC(=O)COc1cc(Cl)ccc1Cl 1870146174 HEBBBMGJFUZMCX-UHFFFAOYSA-N 430.295 4.587 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN(C)C 1870710409 DFGQNRZSQFEGSA-UHFFFAOYSA-N 427.589 4.596 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 1871391335 XVPRAAXBUAARAH-XKZIYDEJSA-N 443.455 4.931 30 10 IJEE COc1cccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)c1 1871411519 IOQONKIKKFTJCH-DNPFKWNUSA-N 445.471 4.726 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871781434 ZVGAQRDGTDJLNR-CYBMUJFWSA-N 445.343 4.727 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871845196 UTTZYOROEMQOGI-JOCHJYFZSA-N 428.554 4.566 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 1871876600 LPGMYQALWCJZNO-KRWDZBQOSA-N 426.991 4.776 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCCCC)cc1)[C@@H](C)CC)S(=O)(=O)C1CC1 1872183970 LVCLHJZNTUUYQD-AVRDEDQJSA-N 436.618 4.589 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CCC 1872210894 PUFCJIRPIMWFNB-HSZRJFAPSA-N 428.598 4.997 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)c1ccccc1)S(C)(=O)=O 1872216456 WJKAWJNSVAHNCJ-DEOSSOPVSA-N 434.561 4.789 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872412272 HWBKARWZIXDZEX-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872582158 LBOKYSFVBUVMFY-MBSDFSHPSA-N 444.597 4.624 30 10 IJEE CN(C)C1CCN(CC(=O)[C@H](C#N)c2nc(-c3ccccc3)c(-c3ccccc3)s2)CC1 1872800356 RJHDJQGMJXPZSJ-QFIPXVFZSA-N 444.604 4.679 30 10 IJEE CCCCCCCCCCN1C[C@H](C(=O)N(CCC(=O)OC)Cc2ccccc2)CC1=O 1872966780 SVOJTSXUCXZLMF-HSZRJFAPSA-N 444.616 4.568 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2cc(F)cc(F)c2)C1=O 1873109280 HJRHCTGKZYCVFH-UHFFFAOYSA-N 449.586 4.727 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(Br)c(Cl)c2)c2cnn(C)c2n1 1873490477 DPINRCSETSWAFR-UHFFFAOYSA-N 433.741 4.701 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(F)c(F)c1)n2CCCC 1873656983 QKLGVHFLWAFELM-UHFFFAOYSA-N 425.483 4.940 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc(OCC)c1 1874243081 NKJKMSZLGNKQLT-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CC(=O)NCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1C 1874434531 JUNSGEWRFLNQNX-YSURURNPSA-N 448.379 4.704 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1c[nH]c2ccccc12 1874440536 GKRMKBBYOXCHHJ-WYMPLXKRSA-N 427.574 4.522 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OC(=O)C(C)(C)C 1875118355 ZDQLYPZVDDXHIO-IZZDOVSWSA-N 442.424 4.749 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc([N+](=O)[O-])c1OC(=O)c1cncc(C)c1 1875128505 HKHMXBJEJWSTDU-MDZDMXLPSA-N 432.432 4.812 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)[C@H]1CCCO1 1875153750 VVWIWCXIXXDSQL-DQACCSDVSA-N 440.467 4.552 30 10 IJEE C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1 1890110336 IPEZHUMQLJIALS-KRWDZBQOSA-N 434.565 4.629 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1926492543 LIYIJJQGDKNQLC-WAIKUNEKSA-N 431.533 4.586 30 10 IJEE C=CCCCCCCn1c(C)nc(I)c1I 1995169444 QMIQRDNMKAVFRY-UHFFFAOYSA-N 444.098 4.537 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)c(O)c1 2079031814 RXOOODYWFHPFOD-INIZCTEOSA-N 437.325 4.916 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2F)C1 2106029836 HDRUQOANHZHACB-TZMCWYRMSA-N 426.330 4.955 30 10 IJEE CCc1ccc(Nc2ncc(Br)cc2C#N)cc1I 2128725991 OSHLMXYVPHDJLI-UHFFFAOYSA-N 428.071 4.626 30 10 IJEE COC[C@]1(CNc2ccc(Br)cc2C#N)CCCCN1C(=O)OC(C)(C)C 2162418979 ZHTGTMWXKKZWPW-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(C#N)cc2Br)[C@H](C(F)(F)F)C1 2163252864 DFXYRGLJUBPOBK-QWHCGFSZSA-N 448.283 4.778 30 10 IJEE Cc1ccc([C@@H](C)N(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)s1 2172776379 OSIXMPASJDOZNA-CYBMUJFWSA-N 437.212 4.711 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2174568163 NAZVLDVDEPDHPP-SFHVURJKSA-N 436.394 4.788 30 10 IJEE C[C@H]1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)c(C#N)cc1F 2174767719 MVSHHWXLHMKOQM-IPYPFGDCSA-N 440.357 4.835 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1c1cc(Br)ccc1C#N 2174810738 POYODHRFBSYDMD-KRWDZBQOSA-N 448.283 4.747 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174814706 KOBFXINPBNHGPT-HUUCEWRRSA-N 440.357 4.980 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Br)cc1I)c1ccc(F)cc1 2207272164 NEHKIELFOSEXLU-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE C=CCN(CCC(=O)N(C)Cc1sc(C)cc1Br)C(=O)OC(C)(C)C 2221894592 AMBDNFQNELOQDT-UHFFFAOYSA-N 431.396 4.591 30 10 IJEE CCCc1ccc(C#C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1 2223330215 SVFIGTYAPIOVHP-YNJKOYDBSA-N 437.580 4.850 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(Br)c(F)c1F 2239846311 VJQSEHSPGAGAFF-CYBMUJFWSA-N 446.292 4.643 30 10 IJEE C=C(CS(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl)B1OC(C)(C)C(C)(C)O1 2267411479 ZMIAJRPUCRNQRY-UHFFFAOYSA-N 426.558 4.576 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1cnc(NC(=O)OC(C)(C)C)s1 2278791135 WYONJEFEJFQNBQ-HNNXBMFYSA-N 436.375 4.955 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296228672 BEXNOFCNIXCPCQ-XMSQKQJNSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2296302158 FGZCUNZDRLJEMT-OXQOHEQNSA-N 435.406 4.672 30 10 IJEE C[C@H](CCN(C)C(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317335239 CFAAMVJFBLGFAI-QGZVFWFLSA-N 431.386 4.784 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(NC1CC1)[C@@H]1CC1(C)C)Cc1ccccc1 2318399752 TWWZRXSBRDTFET-IXCJQBJRSA-N 430.640 4.681 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(OC)cc1 2322437737 MHXFKOYMEDGJEG-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCN(Cc1ccccc1)C(=O)C(=O)C=Cc1ccc(OCc2ccccc2)c(OC)c1 2323226548 ZINKHKNFUIOXLF-UHFFFAOYSA-N 429.516 4.905 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1Cl)Nc1nccs1 2323720963 YMTPBGXCLODVJS-UHFFFAOYSA-N 434.851 4.988 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1Cl 2325729558 MGKWHRCUEDNJIU-UHFFFAOYSA-N 434.879 4.986 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2cc(C)ccc2OC)cc1OC(=O)C1CC1 2325743139 PQEKZDDWXNFZBD-UHFFFAOYSA-N 445.309 4.986 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2ccc(OC)cc2OC)c(Br)cc1OC 2325761204 DJDPSATYFXGAMJ-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE C=CCOc1ccccc1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC=C 2328501894 VDMTZVNCVZMVOS-UHFFFAOYSA-N 435.509 4.502 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)cc1 2328564997 YCAYPBOKNGESHB-UHFFFAOYSA-N 435.528 4.909 30 10 IJEE CCCOc1cccc(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCCCO)c1 2329129202 DXTIMOPXFPTUJI-UHFFFAOYSA-N 444.988 4.668 30 10 IJEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2329413979 SQNKJNHRCIQMGX-UHFFFAOYSA-N 440.569 4.506 30 10 IJEE C(=Nn1c(SCc2ccccc2)nnc1-c1ccccc1)c1ccc2c(c1)OCCO2 2330670809 LQSQINWMYADYLL-UHFFFAOYSA-N 428.517 4.891 30 10 IJEE COCCc1nnc(SC)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331236683 UGJOLVZKNVBNEF-UHFFFAOYSA-N 432.549 4.803 30 10 IJEE COCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccc(Br)c1 2331246465 QNRFQOTWGOMCIO-UHFFFAOYSA-N 449.349 4.543 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cccs1 2331491521 NLBVHGUCTKFFPR-UHFFFAOYSA-N 425.583 4.783 30 10 IJEE COCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Br)cc1 2331553078 ROPIOMOUAULTII-UHFFFAOYSA-N 431.359 4.670 30 10 IJEE C=CCSc1nnc(COC)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2331591762 FVPDXAFHEVTJIY-UHFFFAOYSA-N 428.945 4.817 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2364616435 AGWHPHKOCJIPKT-MJGOQNOKSA-N 439.394 4.805 30 10 IJEE CC1(C)OB(c2ccc(SCc3cccc(Br)c3)c(C#N)c2)OC1(C)C 2366996889 WVQUJKNXPMOZPR-UHFFFAOYSA-N 430.176 4.912 30 10 IJEE C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c([nH]c3ccccc32)c1=O 16994033 ZXUKTWPHMMTBHS-UHFFFAOYSA-N 432.549 4.720 30 10 IJEE C=CCN(C(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 18085067 PNSBWFASEANXFM-UHFFFAOYSA-N 438.509 4.609 30 10 IJEE CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 27532721 XYQGLFFBDKGHOP-JOCHJYFZSA-N 446.507 4.541 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)Sc2nnc(NCc3ccc(F)cc3)s2)CC1 28122801 GXXLLVNTSNEUBD-DBWCEAHUSA-N 447.605 4.701 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OC(=O)/C=C/c3ccc(OC)cc3)cc2)SC1=S 33432334 KMFJUPJDRHPXRF-QOSRDPBLSA-N 437.542 4.701 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1 34955415 DBGWDADQICFOOT-XGICHPGQSA-N 448.471 4.836 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2C)cc1 106103230 PVVSQCCBWWZYAQ-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE N#C[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccc(F)cc1F 111220460 MZOKQVFPVNTAKJ-IBGZPJMESA-N 431.236 4.640 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)cc1 169955067 ULHMQOMGOQEPEW-QHCPKHFHSA-N 441.487 4.605 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(O)cc2)c1C 169961099 YIGPWWPVWYXVNY-DEOSSOPVSA-N 441.483 4.727 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccc(C)c1 169970644 KZWGAMMSWGOVJI-XMMPIXPASA-N 441.483 4.721 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccncc2)c1 170014992 AJPHNKRNJKXQTD-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccc(O)c2)cc1 170080331 ANFLPZUOGNEDCZ-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cn(C)c2ccccc12 170084843 FIXFLZAXZGERSX-QHCPKHFHSA-N 444.487 4.539 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 170129829 BAHGPBIZJDUXRP-HSZRJFAPSA-N 434.536 4.672 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(O)cc2)c1 170130190 RPLPVYLNCAYIQD-NRFANRHFSA-N 435.501 4.631 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccs1 170166292 RZUOYHJQFRATEQ-NRFANRHFSA-N 443.565 4.929 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccncc1 170210356 PKTONDPITAMOIL-GOSISDBHSA-N 429.314 4.531 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(F)cc2)c1 170238815 IQDYYYMOLLHRPE-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1F 170251921 WCAUGACBOGBGIY-SFHVURJKSA-N 438.282 4.747 30 10 IJEE C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460380205 MDOBGYKOZZTSBZ-VWLOTQADSA-N 440.547 4.882 30 10 IJEE Cc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1NC(=O)c1ccc(Br)cc1 507838958 SYMHXFPISVGFSH-UHFFFAOYSA-N 440.341 4.776 30 10 IJEE O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(Oc2ccc(F)cc2F)CC1 523590928 KURZWSRJTOCZHO-UHFFFAOYSA-N 433.458 4.835 30 10 IJEE COc1ccc([C@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526490288 VODRDRNXCWZJPP-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(C#N)cc2)cc(Cl)c1OC 526823027 QIQHZEMLFAOUBM-MSXFZWOLSA-N 441.944 4.693 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@@H](COC)C1 549220103 QVIIUXQKJQYPMM-HXUWFJFHSA-N 436.531 4.712 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](c2cc(C)cc(C)c2)C1 579931977 COWIVIBAINUQJD-IBGZPJMESA-N 440.551 4.781 30 10 IJEE N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccc1Br 610158192 XNJZJIFBTYDRBQ-LZWOXQAQSA-N 439.231 4.832 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C)c1 733197725 RIAWBLCIBJXTEK-HXUWFJFHSA-N 439.968 4.940 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccccc1OC)[C@H]1CCOc2ccc(Br)cc21 733335605 ZFURQWJJPGMPLB-BEFAXECRSA-N 443.341 4.687 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)NCCc2ccccc2)[n+]2ccc3c(c2)CCCC3)cc1 762444771 GLFPZBREZQGGCF-UHFFFAOYSA-O 440.592 4.768 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2csc(C)n2)ccc1Cl 763235386 OIYRUYUUDUTXMK-UHFFFAOYSA-N 447.969 4.739 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)[nH]2)c1 764810004 NIXIQSGMRXGUPO-MFOYZWKCSA-N 430.817 4.864 30 10 IJEE C[C@H](OC(=O)CCc1cc2ccccc2nc1O)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 767789193 ORNDQWVTQQQDBB-FLVDCRJSSA-N 444.531 4.685 30 10 IJEE N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 772645585 NHDWVJRYYCUKNE-ZDUSSCGKSA-N 447.800 4.790 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC1CCN(C(=O)OC(C)(C)C)CC1 777931931 AZXSKLKLNWCRCU-UHFFFAOYSA-N 444.601 4.843 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 778668099 BITZRQIFWXQOCH-UHFFFAOYSA-N 441.487 4.515 30 10 IJEE C=CCOc1c(Br)cc(/C=C2\CCc3cc(C#N)cnc3C2=O)cc1OCC 788354794 DKINFNTXJFOXJG-CAOOACKPSA-N 439.309 4.892 30 10 IJEE CC(C)c1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(CO)c2)cc1 917612136 JFGKMIYHAPMWDO-UHFFFAOYSA-O 430.553 4.785 30 10 IJEE O=C(CSc1nc2ccc(N=Cc3c(F)cccc3Cl)cc2s1)N1CCOCC1 1084346878 SGTVSSVDTLAAJN-UHFFFAOYSA-N 449.960 4.790 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 1124583717 UFBIROKBJZXFCF-UHFFFAOYSA-N 427.220 4.636 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCc3c(Cl)cccc32)c(C(=O)OCC)c1C 1124820383 FODQXQUUXVWFNT-HNNXBMFYSA-N 447.940 4.898 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@]1(F)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1126231292 NVWQHJVAMQAWBZ-IPJJNNNSSA-N 428.301 4.619 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC 1127177036 WXPXJDLNCXOPJG-KXKDPZRNSA-N 437.471 4.648 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H](CC)c2cccc(OC)c2)nnc1-c1ccco1 1127688169 RCQAZWHEFMWWJM-GOSISDBHSA-N 427.526 4.909 30 10 IJEE N#Cc1cc(NC(=O)COc2ccc(Cl)cc2Br)ccc1Br 1129355721 GANDINHRFCCNDB-UHFFFAOYSA-N 444.510 4.754 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1129702889 PIJIRYMRQCEVJN-CHWSQXEVSA-N 427.339 4.502 30 10 IJEE C=CCCC[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccccc1 1133168007 KNNAPFMCWSJDJV-HXUWFJFHSA-N 429.358 4.783 30 10 IJEE CC[C@@H](C#N)N(CC)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 1134208117 DTIPDFPZPRMHMU-SFHVURJKSA-N 428.330 4.774 30 10 IJEE C#CCN(CC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)C(=O)OC(C)(C)C 1137561506 RLOWGEPVPGXMSE-UHFFFAOYSA-N 438.915 4.692 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc4c(c3)OCCN(C(=O)OC(C)(C)C)C4)cc2n1 1156690475 MVWXNZKVRKYAAJ-UHFFFAOYSA-N 448.523 4.604 30 10 IJEE C=CCn1c(SCc2nccn2CC(F)F)nc2sc3c(c2c1=O)CCCCC3 1164444149 KPUKHLMAUNFJKZ-UHFFFAOYSA-N 436.553 4.667 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cccc(Cl)c2Br)CC1 1167739356 CFBLKNCEDIFKIQ-UHFFFAOYSA-N 447.720 4.544 30 10 IJEE C#Cc1ccc(NC(=O)CCC(=O)c2ccc(I)cc2)c(Cl)c1 1179656292 PTWPPPLHBACSOB-UHFFFAOYSA-N 437.664 4.528 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1 1195947153 QTFMSCBPIWLGHS-HSZRJFAPSA-N 430.470 4.992 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1C(F)(F)F 1201178373 GATJITBXLKURCZ-ZDUSSCGKSA-N 426.801 4.770 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccccc1OC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1222168922 NNKSCNOKNGWQKA-LJQANCHMSA-N 443.588 4.579 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@]12CCCC[C@H]1C2)[C@H]1CCOc2ccc(Br)cc21 1254154064 IQCYTOPBMBJXDS-FMERGGRFSA-N 431.374 4.886 30 10 IJEE C=CC[C@H]1N(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CCCC1(C)C 1270801410 KLDGCOPITDRMPB-NHCUHLMSSA-N 425.573 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCC[C@@H]1C 1286283499 XQIJANIZIBTSIO-ROUUACIJSA-N 437.588 4.755 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](CN(CC)CC)C1 1286339256 LDSDIWRNFGFYEY-FQEVSTJZSA-N 439.673 4.857 30 10 IJEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CN(C)CCCC)CC1 1286346937 FKXLJHJKHAVPAC-UHFFFAOYSA-N 446.643 4.799 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccccc1C 1286500679 BXOXCTHIDKGAKD-KRWDZBQOSA-N 425.989 4.866 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286589931 LUCGAGGEJGEMQH-UHFFFAOYSA-N 428.993 4.575 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](OC)C2CC2)CC1 1286649404 NMYUDQVFSGPDLU-IBGZPJMESA-N 437.371 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C)=C(Br)C1 1286672829 KPJBBIJRDXGQPH-UHFFFAOYSA-N 430.394 4.745 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286682716 URAXWDMCVDKTCW-SFHVURJKSA-N 429.012 4.660 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1286704516 WGIFVQFDFDIFST-DYESRHJHSA-N 442.560 4.990 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1ccncc1Cl 1286747994 RIKNIWAUHQCINS-UHFFFAOYSA-N 434.906 4.769 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC1C[C@@H](C)O[C@H](C)C1 1286749696 CPBJQJMCYIQEJI-RTBURBONSA-N 437.613 4.722 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1SCCc2ccccc21 1286768874 KASSRMBIGUJVLC-OAQYLSRUSA-N 440.638 4.600 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Br)cc(Br)c1N 1291959035 ISBZGXRMJNXOSN-UHFFFAOYSA-N 442.126 4.761 30 10 IJEE O=C(N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F)[C@@H](O)c1ccccc1C(F)(F)F 1299832347 AFCGETPQSQCWBR-JKSUJKDBSA-N 434.311 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(COC)CCC1 1300271630 INZABNPLTBUFSN-RBUKOAKNSA-N 445.007 4.963 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(C)C 1300324643 IUOJWGZAAZHTJT-APWZRJJASA-N 444.004 4.578 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)c1cccs1 1300529153 GXQBBGURZLQPLT-UHFFFAOYSA-N 427.577 4.549 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1300754638 UOKNWTGNMHYUSR-MRXNPFEDSA-N 443.617 4.975 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1300974213 GCBQJBCELXMKAN-PZJWPPBQSA-N 434.588 4.943 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1301078587 SNPBAOXOOZAHMO-SFTDATJTSA-N 437.632 4.867 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(C)C)CC1 1301203697 XWWVAQLZOPBYSU-JOCHJYFZSA-N 425.621 4.779 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1ccsc1)N(C)C 1303635482 GXHAQLNWMQLZMZ-IIBYNOLFSA-N 433.585 4.529 30 10 IJEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1cccs1 1304887946 GWMMRUVPIIBVRZ-MRXNPFEDSA-N 448.552 4.641 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1306285097 AZEATOPHDYBNRE-ODGPQVTHSA-N 434.632 4.810 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)[C@H](C)CC)nc2scc(-c3ccccc3)c2c1=O 1307261024 KEBRJFGFMREAGC-RDTXWAMCSA-N 428.579 4.991 30 10 IJEE COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(Oc2ccc(C#N)cc2F)CC1 1307748254 DZOSZBJAKCBGPI-HXUWFJFHSA-N 437.298 4.762 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)c1ccccc1 1309991029 JIKVKLSDWHJPDN-DEOSSOPVSA-N 447.560 4.788 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1)c1ccc(Br)cc1 1310156044 IRSNKLCKTBOFNR-IBGZPJMESA-N 442.357 4.864 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(I)c(Cl)c1 1355767747 LGPOWWTWNCQFCJ-UHFFFAOYSA-N 429.660 4.912 30 10 IJEE C#Cc1ccccc1CC(=O)NCc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1 1357185242 MNDKCQSLLVIWRH-UHFFFAOYSA-N 440.543 4.633 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCc1scnc1C 1359017399 DJAQZIRJYCLRFZ-UHFFFAOYSA-N 437.588 4.797 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCO[C@H]1CCCC[C@H]1C 1359073080 BPMPFJQECMHMON-VIICAESSSA-N 436.600 4.753 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2CCN(CC)CC2)CC1 1359158702 BXOCYLRSGMRUBI-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)C(F)(F)F)CC1 1359181635 BALSCMLKIUEOKP-UHFFFAOYSA-N 438.494 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(F)F 1359184739 YIXLOTVIJKCMCT-UHFFFAOYSA-N 430.341 4.740 30 10 IJEE C=CC[C@H](Cn1c(N(C)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1359196063 WWFNEFJXWWOPRV-NJYVYQBISA-N 439.604 4.865 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCOCC2(CCC2)C1 1359210124 KKDSYVFXLLQQSL-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccccc1 1359216631 ZNSCSQNEDYFKDF-FQEVSTJZSA-N 431.588 4.616 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N(C)c1cccc(C)c1 1359222402 HYGQQLWSKLXVGU-UHFFFAOYSA-N 444.377 4.715 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(F)(F)F 1359257603 OZKRRFLXTNVLFT-UHFFFAOYSA-N 440.267 4.791 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@@H](O)C1 1359267961 YLNKVORLCSAOMU-NVXWUHKLSA-N 449.368 4.576 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359337467 SXHOFCJJCHNKJE-RZUBCFFCSA-N 427.662 4.658 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2CSc3ccc(Br)cc32)cc(OC)c1OC 1436131342 REUCWDIWJBJFFM-INIZCTEOSA-N 434.355 4.772 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 1442655076 CILQYGINMXKONR-LJQANCHMSA-N 438.572 4.723 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)c1ccccc1 1454298308 KUPPBBJMGFLVGF-XLIONFOSSA-N 443.385 4.956 30 10 IJEE C#CC[C@]1(C(=O)O[C@H](C)c2nc3cc(Cl)ccc3n2C)CCCN1C(=O)OC(C)(C)C 1457181833 AWZJPKVJBZMLSN-IQMFZBJNSA-N 445.947 4.624 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc2cc(F)c(Br)cc2s1 1458906595 HWTXRTITBNAUHY-UHFFFAOYSA-N 434.290 4.866 30 10 IJEE C=CCN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1459003603 YVNRZNNUQMEWJT-AIGDTVQASA-N 426.582 4.643 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc2[nH]ccc12 1459705348 ARMAHWDTPPGOLZ-JOCHJYFZSA-N 429.495 4.934 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@@H](CCO)c3ccccc3)c2C#N)C1 1459837707 GCFVADKXQLSPTK-NQIIRXRSSA-N 439.625 4.813 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(-c2ccccc2)cc1OCC 1460781903 SOHRVJHGSRCJMS-UHFFFAOYSA-N 442.313 4.851 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12 1465783193 WLKHEMQYNWCAKN-UHFFFAOYSA-N 446.457 4.922 30 10 IJEE COC(=O)CCN(Cc1cccc(Br)c1)Cc1ccccc1C(C)(C)C#N 1473378278 AIBWMBJYUXATDE-UHFFFAOYSA-N 429.358 4.816 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CC1 1476754967 KQTUTUREZVFTPI-UHFFFAOYSA-N 425.941 4.745 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 1476955911 WKABRVOPBDAMIY-UHFFFAOYSA-N 449.857 4.939 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 1478310219 DROWFRBNGHZILH-UWJYYQICSA-N 431.374 4.965 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(C(C)(F)F)cc2)n1 1492504603 CAFYLZZZJZKQQS-UHFFFAOYSA-N 436.510 4.939 30 10 IJEE C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)N1CCC[C@@H](C)C1 1493695884 HCHQSKFPFNUVGD-MOPGFXCFSA-N 441.023 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(O)(CCC)CCC 1507772717 TZPRYIQJAXRZPP-YOSAUDMPSA-N 430.637 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)c(OC)c1 1507824317 XNOPCOSKHBRVQQ-IFMALSPDSA-N 426.605 4.964 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1507838357 QMTXGNRCFFOTNY-CVDCTZTESA-N 438.616 4.839 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2ccc(OC)nc2)CC1 1507879877 XUIHZRRAIWOSKN-UHFFFAOYSA-N 447.583 4.978 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 1507924320 LLWOUZVRGHBOIE-OALUTQOASA-N 426.515 4.520 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H]1CCCO1 1507926106 BGLZTVVPOKCLBC-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(Cl)cc2C1 1507960650 UUBGAOCJARNFCI-UHFFFAOYSA-N 444.366 4.802 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1507967148 CFSPDYOLECNAHH-WOJBJXKFSA-N 429.584 4.547 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507975032 MCAZDVOXZDALOU-BJWYYQGGSA-N 433.394 4.842 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(Cl)cc1F 1507986619 RHXZFHCRRNPEEK-SFHVURJKSA-N 449.958 4.813 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccn1 1508008610 HLBRRXLCRWAQDA-UHFFFAOYSA-N 426.549 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCCC1(C)C 1508011979 QPQMTKYXPLWYRV-QHCPKHFHSA-N 430.980 4.727 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1C[C@@H](C)O[C@H](C)C1 1508025112 OUMQKCDBJPBHKY-PQNGQFLHSA-N 438.616 4.611 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)C1 1508111368 DWOIRTQUMOIXRK-UNIVCBNLSA-N 437.632 4.545 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCC(C)CC1 1516359181 HEOPTEPDSZBQMW-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCSC1)[C@@H]1CC[C@@H](C)C1 1519126962 FWJMXWYPCLWIDM-KAGYGMCKSA-N 439.629 4.601 30 10 IJEE C=CCC[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)c1ccccc1 1521614521 DFRSIXFIOCZUOV-SRMPHAGFSA-N 438.524 4.728 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1cnc(OC)nc1)c1ccc(C)c(C)c1 1523054307 NNGMCTOGNSAASB-ACCUITESSA-N 429.520 4.913 30 10 IJEE CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1523650211 AWUMCEQHUQBBHM-XMMPIXPASA-N 431.536 4.617 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccs2)cc1 1525685628 PQRCCBCEJRVGNM-DNQXCXABSA-N 432.589 4.845 30 10 IJEE CC(=O)Nc1nc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cs1 1529761266 FUZUHMLDHDKTTP-UHFFFAOYSA-N 429.317 4.643 30 10 IJEE C=CCOc1ccc(OC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1530865137 NGKXDLLYZOAERL-UHFFFAOYSA-N 446.528 4.994 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 1531923292 OWARKPYPRBGWMG-APWZRJJASA-N 433.474 4.942 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3cc(-c4c(F)cccc4F)no3)n2)c(Cl)c1 1534656277 HNSHBIGBAWLGDJ-UHFFFAOYSA-N 425.782 4.583 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)CCCN1C(=O)OC(C)(C)C 1534783306 BDMPIRQCUDRYDC-JOCHJYFZSA-N 429.542 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1539030379 QZGWLJMQUVGLAT-VSZNYVQBSA-N 443.389 4.514 30 10 IJEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C1CCCCC1 1539067328 CYHBMPBSZZVYMR-UHFFFAOYSA-N 446.599 4.637 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1539684960 OSWXQKIJWVVPAI-HNNXBMFYSA-N 427.911 4.744 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1539896805 SFNTXTCOUNXWTA-ROUUACIJSA-N 428.552 4.602 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)c1ccccc1 1539940920 XATFMWIPFZMIRV-ZFGGDYGUSA-N 432.616 4.954 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccc(F)c1)N(C)C)C1CC1 1540101600 IBQKPACKGSDGSO-HXUWFJFHSA-N 440.954 4.590 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1540910462 CIOALYKRONWYGR-HXUWFJFHSA-N 439.673 4.737 30 10 IJEE CC[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N(C)C(=O)OC(C)(C)C 1542160109 HDXIOWKIJHKAOR-QFIPXVFZSA-N 437.540 4.916 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)c1 1542298291 XJGCRGPLRMUUJZ-MRXNPFEDSA-N 449.494 4.868 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)C1 1552504804 FVVQGQSDGXTVLZ-FCHUYYIVSA-N 449.628 4.592 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2cc(Br)ccc21 1558142518 RLYLXBHGDODTMU-CVEARBPZSA-N 443.769 4.589 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)nc2sc(C)c(C)c2c1=O 1559328621 HQDGFLGEYIOMSE-KHYOSLBOSA-N 447.670 4.882 30 10 IJEE CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1562321633 AZAMKSDHMKXYOF-RCZVLFRGSA-N 435.524 4.689 30 10 IJEE CC1(c2cccc(Cl)c2)CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1563138307 DOVJHMQYXKBHJZ-UHFFFAOYSA-N 433.737 4.955 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](c3cccc([N+](=O)[O-])c3F)C(F)(F)F)cc21 1563315482 JLQIILJLTJEVEC-KRWDZBQOSA-N 437.353 4.695 30 10 IJEE C#CCN(CC(=O)N(CCSc1ccc(F)cc1)c1ccccc1)C(=O)OC(C)(C)C 1566110302 NARZZOAWRPRGBF-UHFFFAOYSA-N 442.556 4.821 30 10 IJEE C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1568071202 GSCVOURUTNYTIU-AOMKIAJQSA-N 434.540 4.973 30 10 IJEE C#C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1ccc(Br)cc1 1584708622 SLBCWEXPKITRCK-LJQANCHMSA-N 432.745 4.641 30 10 IJEE C#C[C@@H](CCC)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1584714359 KECWSGXGAIQEIW-FQEVSTJZSA-N 436.353 4.762 30 10 IJEE C#CCC1(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)CCC1 1585005967 OWBCANKJEAAEIP-UHFFFAOYSA-N 430.504 4.603 30 10 IJEE Cc1cccc(Oc2cc(CNC(=O)CCCC(=O)Nc3ccccc3C#N)ccn2)c1C 1587232921 FJIVJVDDJZVMJC-UHFFFAOYSA-N 442.519 4.788 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1587586487 OEQQXMSYICCPTJ-INIZCTEOSA-N 435.528 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCc1ncc(CC)s1 1589177818 NTOJOBXDVDEVPF-JOCHJYFZSA-N 425.989 4.852 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1593654560 BZJFPLVKFDLKOC-WOJBJXKFSA-N 431.625 4.717 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)C1CCCC1 1593696316 NHMJNMIWTDTQIJ-UHFFFAOYSA-N 425.577 4.509 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCCc2nc(C)cs2)CC1 1594134274 ONQNHXWTWSFZRP-UHFFFAOYSA-N 441.576 4.940 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1594473760 ZPJNGSFWVJTTJE-IBGZPJMESA-N 429.996 4.849 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1594698805 XFWDKLUMVOVNAU-LJQANCHMSA-N 445.901 4.816 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1595900706 HEDKZPREZVZIGG-WIYYLYMNSA-N 444.670 4.802 30 10 IJEE COC(=O)c1cnc([C@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1 1598158289 AQMCWEZPYMRZNX-LBPRGKRZSA-N 441.896 4.738 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c1 1611209182 VJZRUWRDQBOIFG-UHFFFAOYSA-N 440.908 4.577 30 10 IJEE C[C@@H]1CCC[C@@H](n2c(SCC(=O)Nc3ccc(C#N)cc3)nc3ccccc3c2=O)[C@@H]1C 1613181234 GLJVTAPRYLWDKS-DRSNIGMVSA-N 446.576 4.996 30 10 IJEE COc1ccc(Cl)cc1[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C#N)cc1Cl 1621814460 HUKHEMTZHBIGKA-QGZVFWFLSA-N 427.353 4.939 30 10 IJEE C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl 1621968703 OIDYHCNVSMZNLG-UHFFFAOYSA-N 439.158 4.768 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC 1624133983 VWSLAYMSJXNJDE-INIZCTEOSA-N 447.373 4.549 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OCc2ccccc2)nc1 1626124902 PIKKSQZWMQPZAR-UHFFFAOYSA-N 426.476 4.663 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(C)c1C(=O)OCC 1626389565 DXJHKYKVXKIILN-CYBMUJFWSA-N 430.954 4.516 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccc(OC)cc4)nc3)n[nH]2)c1C 1629437953 LZLWDWGARWHIJJ-UHFFFAOYSA-N 444.495 4.524 30 10 IJEE C#CC1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CC1 1630857245 ZCTXCCRBOIZGDH-SIBVEZHUSA-N 444.575 4.812 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 1631052859 YAPBDMOJFGTKDU-WMZOPIPTSA-N 438.952 4.527 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(F)(F)C1 1634098756 OLNUEVOJXMAPER-JOCHJYFZSA-N 440.490 4.774 30 10 IJEE C=CCN(C(=O)CCn1ccc2cc(Cl)ccc21)[C@@H](Cc1ccccc1)C(=O)OCC 1634104500 XQACLXOFZXPFDA-QHCPKHFHSA-N 438.955 4.874 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnc(Br)c(C)c1 1642401477 LTNSHFSRQVEHSF-UHFFFAOYSA-N 426.108 4.732 30 10 IJEE CC(C)C[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccccc1 1642456633 DPXDPNWKNNJPQK-ZJSXRUAMSA-N 448.611 4.733 30 10 IJEE C#CC1CCN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)CC1 1646385858 QRMHGYZLUVKPAL-UHFFFAOYSA-N 433.552 4.828 30 10 IJEE C=CCn1c(SCCc2cccc3c2OC(F)(F)O3)nnc1-c1cccc(OC)c1 1651850827 NYBBZPISZRRTPB-UHFFFAOYSA-N 431.464 4.796 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(Cl)c(Cl)cc2n1C 1654637107 FSSOPVIFCCIOIF-ZDUSSCGKSA-N 447.750 4.855 30 10 IJEE N#Cc1ccc(-c2cc(N3CCN(CCc4cc(Cl)cc(Cl)c4)CC3)n[nH]2)cc1 1654990689 HSZCIDWYSDDOAX-UHFFFAOYSA-N 426.351 4.620 30 10 IJEE C=CCC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccccc1 1655297273 REEJLQOFGLQZJT-HXUWFJFHSA-N 429.542 4.889 30 10 IJEE C[C@@H](NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 1665462124 CYNQDNKCRFLZFT-GFCCVEGCSA-N 437.468 4.740 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)cc1 1672952565 VREFVCBBIVEANO-IBGZPJMESA-N 426.944 4.525 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](Cc3cccc4ccccc34)C(=O)OC)cc2n1 1674576504 LCPNUPCLJYGKDJ-OAQYLSRUSA-N 442.519 4.529 30 10 IJEE C=CCc1cc(CNC(=O)N(C)[C@H]2C[C@H](OCC)C23CCCCC3)cc(OC)c1OC 1676274833 JCMBQOKKWBWALX-VXKWHMMOSA-N 430.589 4.702 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1679780015 ODVGUQONAHJQKL-NLSFWIRASA-N 444.572 4.753 30 10 IJEE C=CCC[C@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1680632588 DUSKYAVOXKFGEY-FQEVSTJZSA-N 433.474 4.800 30 10 IJEE C=CC(C)(C)CNC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 1682423547 QXNKRVMNNYOMAA-SFHVURJKSA-N 441.435 4.947 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccnc(OCC2CC2)c1 1683988309 XJKLIJWCSASMHR-UHFFFAOYSA-N 448.336 4.670 30 10 IJEE C=CCC[C@H](NC(=O)NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1685820576 YZRJIZRFPRWMFU-JKSUJKDBSA-N 425.417 4.895 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1F 1686922196 CJBNUCQHAYHWMW-DLBZAZTESA-N 429.706 4.835 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2nccs2)C1 1689876802 IZDAYPXXOZLHHT-LEWJYISDSA-N 435.597 4.658 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C)(C#N)CC1 1689914932 KPYNOISRPVVYJA-UHFFFAOYSA-N 426.568 4.896 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CC[C@H](C)C1 1690039872 VJSQRSGRKNWFMZ-LEWJYISDSA-N 434.584 4.642 30 10 IJEE C#CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(CC#C)CC#CC 1690161369 CCZVTWWYGCMIDQ-UHFFFAOYSA-N 448.592 4.642 30 10 IJEE C#CCSCCn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1cccnc1 1690186825 VBUFIXFEJISSLR-UZLBHIALSA-N 441.988 4.548 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CCCO)CC1 1690305155 ZMQMZKOWDMHIFT-UHFFFAOYSA-N 440.632 4.824 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCC)c(OCC)c2)CC1 1690408641 QWGAPGHJQKIDAW-UHFFFAOYSA-N 449.599 4.726 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1690410291 GWDSTUJMLYCZCN-HXUWFJFHSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1690417261 KQFRTAADSWBVDD-JOCHJYFZSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690435015 OCLXZZGOBWBDGK-PKOBYXMFSA-N 436.522 4.936 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1690478215 PKTFRPVOKIPPIS-UHFFFAOYSA-N 435.597 4.634 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC(CC)(CC)C1 1690504057 WYTJITLWANPKMS-UHFFFAOYSA-N 425.602 4.521 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1690558519 STQNWILQSQHTDW-PMACEKPBSA-N 442.567 4.608 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690740310 QEDSTUOBEMNACQ-RHSMWYFYSA-N 435.519 4.980 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CC[C@H](c4ccco4)C3)n2CCCC(F)(F)F)cc1 1698488244 AGPFMHILPOFGAV-KRWDZBQOSA-N 445.445 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](CCC)OC 1705477468 OJMWATRJBMHHHE-NSHGMRRFSA-N 432.996 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC1CCN(CCC(C)C)CC1 1705479067 DXSBROFHNDAICH-IBGZPJMESA-N 428.024 4.815 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](COCC)C1 1705511308 PRJHZGWXILICAG-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1705530153 SOBXFDUQEHNTBJ-RTBURBONSA-N 442.007 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCOC(C)(C)C 1705670251 MUZGZJFJCOLCPY-LJQANCHMSA-N 437.407 4.576 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1705743607 CLJODHDHNBTTAW-UHFFFAOYSA-N 438.988 4.667 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705809491 SPCGOZVEPADMMX-QFIPXVFZSA-N 437.588 4.869 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705832215 QQEUDTRVRZGXJI-BWAGFHJFSA-N 428.552 4.604 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN(C(C)C)C1 1705861549 ILNTYJRCXYKIGK-BJKOFHAPSA-N 437.632 4.833 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CC[S@](=O)CC 1705865069 FPHMVUGJQHRHCF-MUUNZHRXSA-N 435.018 4.621 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCOC[C@H]1C)C(C)C 1705867958 YLXWMKDXBSLFGT-DENIHFKCSA-N 444.023 4.522 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCc1nc2c(s1)CCCC2 1722345449 QBFULGJLWUXNKM-FQEVSTJZSA-N 433.625 4.858 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)c1c(C)noc1C 1722391406 MADDLMRRJLHYSW-FQEVSTJZSA-N 441.579 4.620 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1722514734 IPQBLOXFBKESNG-FQEVSTJZSA-N 445.583 4.914 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCC(F)(F)F 1722521485 MRGCDYLJJCPQTG-UHFFFAOYSA-N 433.272 4.681 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1)c1ccccc1 1722539843 AUYDHJVGEBJVFR-HSZRJFAPSA-N 435.616 4.609 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1Cc2ccoc2CC(C)(C)C1 1722582008 GCUCQMNXVDXIBF-GOSISDBHSA-N 430.593 4.786 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2(OCC)CCCC2)CC1 1722583804 YXKWKROQKRVKNV-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCCC(=O)NC 1722586013 QDFFRENKZWLCOX-UHFFFAOYSA-N 443.661 4.840 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC1CCCC1 1722618439 RHYLTSYGRZSZNR-GOSISDBHSA-N 433.597 4.669 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722626421 MJHIYJZIINASNG-YLJYHZDGSA-N 439.362 4.697 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC[C@H]1CCO[C@@H](C)C1 1722652394 FDWZQIIRGPSFGM-PMACEKPBSA-N 435.572 4.680 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2)C1(C)C 1728919120 FOBMIWSDRXNBGB-PWRODBHTSA-N 439.629 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1CCc2ccccc21 1740536648 KJBLCROATLLPRF-RDJZCZTQSA-N 438.373 4.614 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCC1(F)F 1740559823 VPFPQVGFQCZUOU-ZWKOTPCHSA-N 432.515 4.539 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](SC)C(C)(C)C 1740650665 IQDGCMYNUDWMAN-QFIPXVFZSA-N 431.609 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOC(F)F 1740728674 ZXCTXKPHCFFVHT-LJQANCHMSA-N 429.298 4.873 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC[C@@H]1C 1740769396 XPZRYHWETIEHOS-WMZOPIPTSA-N 433.394 4.783 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1740770713 DEOBLUSZQFOCJK-FQEVSTJZSA-N 439.604 4.995 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1740848953 VLKOHJKBPBYZSG-ZLNRFVROSA-N 438.616 4.988 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC(C)(C)C(F)(F)F 1740914742 KJPZENLKBVDAER-UHFFFAOYSA-N 440.473 4.993 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1C 1740924083 GAYDDFCOUXNXSF-JKBKZWBZSA-N 430.618 4.692 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1Cc2ccccc2O[C@H](C)C1)C(C)C 1740924149 INPJCIDFDUVGEW-FYYLOGMGSA-N 437.632 4.888 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1F 1740937705 MPIBEXOZSGRPKH-QFIPXVFZSA-N 440.519 4.544 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1740944791 IBIDDNHUROWSLR-UHFFFAOYSA-N 443.382 4.722 30 10 IJEE CCN(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)c1ccco1 1746080946 DEYPQWVFXGNPFY-YADARESESA-N 426.609 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1c(C)noc1C 1748687610 NJEZIJXHFIGPFS-AWEZNQCLSA-N 429.977 4.529 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1748775670 PYLRDIKXDYEUHS-PKOBYXMFSA-N 445.405 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC(C)C)c1 1748876455 GOZSULFUJSMINK-UHFFFAOYSA-N 447.970 4.540 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCO[C@@H]1CCCC[C@H]1C 1748918867 RZWUPDMYJLNYHL-YLJYHZDGSA-N 445.405 4.762 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1749046589 CBMZGHDQARLVRX-GOSISDBHSA-N 426.630 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1cc(Br)cs1 1749061487 WYMMJDAEFFCZHL-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1N(C)CCCC1(C)C 1749171566 XWQXEBURZQKSFE-QHCPKHFHSA-N 439.648 4.942 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1749187701 YHCIBNHWPRVWFD-RTBURBONSA-N 434.588 4.827 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1749247298 URFXHKUQYRIISN-QHCPKHFHSA-N 431.584 4.761 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1749368423 IHIDRPHNUQCFDE-UHFFFAOYSA-N 426.605 4.701 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1749620760 QEHXGAPTLQBZLC-WOJBJXKFSA-N 440.588 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](CC)Oc2ccccc2F)C1 1749701563 WKCSIGQKTYDTSO-RTBURBONSA-N 440.519 4.625 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(SC)CCC1 1760104408 YBEGGXSXMSLLRA-OAHLLOKOSA-N 433.419 4.760 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1Cc1ccc(Cl)s1 1760125595 ROHPELYSGDFNRN-CQSZACIVSA-N 433.002 4.800 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCC(C)(C)C2CC2)c1 1760129192 ZPERHUAZRXZWJF-UHFFFAOYSA-N 435.616 4.749 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC=C(C)C 1760223566 VSJKZRFREIEITL-UHFFFAOYSA-N 431.367 4.983 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@@H]1C(C)C 1760298969 BVDUGTHBWRZSRK-DZNIXNCWSA-N 442.648 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ncc(C)s1 1760299338 REMITHLLCBLRMB-AVDZWTPASA-N 441.645 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N1CCC[C@H](C)C1 1760334031 NQBFQNKWNZMQQR-SFTDATJTSA-N 434.632 4.960 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1760442092 FTMSVEGLVWBXRX-ICSRJNTNSA-N 435.597 4.618 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCN1CCCC[C@@H]1C 1760458101 STUHAXXBZTUFBW-SFHVURJKSA-N 446.437 4.903 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCO[C@H]1CCCC[C@@H]1C)C(C)C 1766509952 CUEGKWGKSXJSKH-UGKGYDQZSA-N 425.577 4.559 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(Cl)c(Cl)c1 1861055892 ZJXADLULKMUNBD-FXAWDEMLSA-N 443.415 4.826 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)n(-c2ccc(Cl)cc2)n1 1862363519 DUSKNUOSCCGHRW-UHFFFAOYSA-N 435.911 4.778 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(OCC)cc1 1862460278 UVFADQXIIGWDOT-HXUWFJFHSA-N 433.426 4.881 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cc(Br)ccc2F)c1 1862497905 VMFMNPBONCBEEQ-LJQANCHMSA-N 444.300 4.946 30 10 IJEE CN1CCCc2cc([C@@H]3C(C(=O)c4cccc(O)c4)=C(O)C(=O)N3C3CCCCC3)ccc21 1862599799 GUVSLYKYLYUMSB-XMMPIXPASA-N 446.547 4.686 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1F 1862628098 VPYDXTZWWWRAJM-NRFANRHFSA-N 443.446 4.852 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862677485 GIAPLIFJYKQKPV-QFIPXVFZSA-N 438.543 4.653 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)cc2)c1 1862699600 WVEUOMBONYKQOF-HJPURHCSSA-N 429.472 4.740 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862727547 HGORPEGRJKZVKO-QHCPKHFHSA-N 429.472 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 1862750805 FHJRGLNROLSQLF-QFIPXVFZSA-N 445.475 4.987 30 10 IJEE CCCOc1cccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C#N)C2=O)c1 1863119919 MMILEVMZOWFHBS-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCCN(CC)CC)C1=O 1863644367 HMLDADRXOLIEJO-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE CC[C@](C)(NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867754693 DHXWUXHSTOMSBH-VGSWGCGISA-N 448.350 4.590 30 10 IJEE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2ccc(F)cc2)n1 1868465582 FVRRACYCZKNOLA-HNNXBMFYSA-N 425.471 4.745 30 10 IJEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)COc2cc(Cl)ccc2Cl)cc1 1870146394 QASQATWNUHXPIJ-UHFFFAOYSA-N 430.295 4.587 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CSc1ccccn1 1870193783 MDQJZJSKVZWEKT-UHFFFAOYSA-N 432.586 4.838 30 10 IJEE C=CCOc1cn(CCCCCC)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870387846 VZMFZJBOPNVWRI-UHFFFAOYSA-N 444.019 4.969 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(C)c(Cl)c2)cc1=O 1871005353 BKFLACPPZIDACT-UHFFFAOYSA-N 436.939 4.686 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(F)c(Cl)c2)cc1=O 1871006847 YTCZUCMGLQEQLJ-UHFFFAOYSA-N 449.913 4.989 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4)cc(C)c3C2=O)cc1 1871420814 LHCYJHPTILUXHL-OYKKKHCWSA-N 443.499 4.705 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871427339 ZIIWEICKEDSOFS-NDENLUEZSA-N 425.437 4.632 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871441859 NCRWAQWKPFDICW-JJFYIABZSA-N 433.435 4.776 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)nc(Nc2ccc(OCCC)cc2)[nH]1 1871724741 DUQMYAYGUBVKJJ-UHFFFAOYSA-N 444.583 4.925 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 1871793029 TVJMXPRVQHQHDL-OAHLLOKOSA-N 433.382 4.649 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 1871948632 GLTLIGSZZSLLLP-GOSISDBHSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 1872083455 FYBGLBQMTBARNM-QHCPKHFHSA-N 428.598 4.932 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872212326 BFQXPGYWYWQXKN-KRWDZBQOSA-N 432.561 4.717 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872368363 GKQBFCFZFXMKOA-OAQYLSRUSA-N 436.524 4.566 30 10 IJEE Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2nc1C 1872760168 IKKJCXXLIUSMKJ-QGZVFWFLSA-N 429.461 4.768 30 10 IJEE N#Cc1ccccc1Nc1[nH]c(=NCCc2ccccc2)nc2c1cnn2-c1ccccc1 1873476909 AQEYOKFBITUQSR-UHFFFAOYSA-N 431.503 4.507 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc2c(N(C)CCCC)ncnc21 1873665658 QFBDDJBOFVJMOB-UHFFFAOYSA-N 442.907 4.668 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874261765 QYUBUQKBZJGYPL-AUEPDCJTSA-N 445.451 4.594 30 10 IJEE OCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12 1874264001 BKJIXOZGXZLDCO-ZVHZXABRSA-N 438.940 4.630 30 10 IJEE CCCCc1nnc(SCC)n1/N=C/c1cc(Br)c(OCC)c(OC)c1 1874477609 DLUSKEFTAHXLHM-UDWIEESQSA-N 441.395 4.785 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)C)cc1 1874512172 ZPPWHJQXPXLCQM-ZVHZXABRSA-N 437.569 4.722 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Br)c1OCCCO 1874612313 ODVWPJBWIFMQII-VOTSOKGWSA-N 425.706 4.768 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc([N+](=O)[O-])c1OCCCO 1874634898 ZIOMRTOTENMMAV-VOTSOKGWSA-N 449.887 4.621 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875163535 PKSFYFLUAZVRJI-FARCUNLSSA-N 438.382 4.817 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1922074069 KAWQWDSLYOOBRF-MVERNJQCSA-N 446.632 4.574 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 1922077312 MOBSTWXDTVNSNW-UNFRKHOWSA-N 434.624 4.543 30 10 IJEE C#CCCCCC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 1947431675 ZDAAOWGAIZTQEK-XMMPIXPASA-N 429.649 4.965 30 10 IJEE C=CCN(CC[C@H](Cc1ccc(F)c(Br)c1)NCC)C(=O)OC(C)(C)C 2099288280 RRRHXPOUIFEJIY-MRXNPFEDSA-N 429.374 4.922 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@]1(CCC)CCCN(C(=O)OC(C)(C)C)C1 2124462986 KXYNILMHKNOBEI-HXUWFJFHSA-N 429.399 4.727 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(C1)CN(c1ccc(Br)cc1C#N)C3 2174814848 MLDPVPWCTWWKAY-SFTDATJTSA-N 432.362 4.548 30 10 IJEE CSCC1(NC(=O)OC(C)(C)C)CC(C#N)(Nc2cccc(Br)c2)C1 2223032010 YGLCTVIWNHAXPU-UHFFFAOYSA-N 426.380 4.544 30 10 IJEE Cc1cc(CNc2ccc(Br)cc2I)ccc1C#N 2231682004 LGIMPEMFRXXSER-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CCC 2232458468 LBTBAJKHRXVNFT-QAPCUYQASA-N 443.430 4.956 30 10 IJEE N#CCOc1ccccc1CNc1ccc(Br)cc1I 2240327354 HCNMAAJSRRYWQD-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC 2262198653 ANUVUAYCDDOPFD-PXDATVDWSA-N 447.572 4.657 30 10 IJEE CCC(CC)(CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)N(C)Cc1ccccc1 2266059400 RZGVKQHNHHEPBF-UHFFFAOYSA-N 441.400 4.623 30 10 IJEE CC1(C)OB(c2cccc(Oc3cc(F)c(Cl)cc3Br)n2)OC1(C)C 2266712320 SVMBQVQOFXAQPX-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCCN)CCc2cc(Br)ccc2C1 2294335475 BRKNKJUJYYWASV-HSZRJFAPSA-N 430.386 4.815 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 2296220165 VNCUJXAADUAHPO-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CC1(C)CC[C@](O)(C#Cc2cccc(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2296221561 JUUFAVVOYVHFJN-VGOFRKELSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(O)C#Cc2ccc(Br)cc2)C1 2296288395 GTCSRXDHXKRADN-FGZHOGPDSA-N 434.374 4.733 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2296310373 JAFPZPGIZSNIOF-IJXRJRJASA-N 433.390 4.567 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 2297734876 GNEQMNMQESTYAC-QHCPKHFHSA-N 438.955 4.660 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCCCC12CN(C(=O)OC(C)(C)C)C2 2305402987 KPDCYVCQMSDLBT-VWLOTQADSA-N 428.573 4.699 30 10 IJEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)C1 2321157931 AIOFEMBDZGOJSR-DVECYGJZSA-N 445.560 4.655 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C2CCC2)c1OCc1cccc(Cl)c1 2321901658 CUYNGOQTYCYOFR-UHFFFAOYSA-N 428.945 4.958 30 10 IJEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCOC(C)C)C4)cc1 2322024037 JFNDBMYTSJPKAE-UHFFFAOYSA-N 437.536 4.977 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccccc1Cl 2322436582 WPPXFWPPFIBERW-UHFFFAOYSA-N 436.733 4.904 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(F)cc1 2322747953 PBBRCHYJISBVEY-UHFFFAOYSA-N 434.305 4.732 30 10 IJEE CCCCCCOc1ccc(C=NNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1OC 2323419497 NGECWWQRWCWMQN-UHFFFAOYSA-N 448.585 4.754 30 10 IJEE CCOc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323791769 IDULQVNXHABPID-UHFFFAOYSA-N 444.439 4.958 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(F)cc1)C2=O 2324091080 YDJIWQZLBTUZFX-UHFFFAOYSA-N 432.495 4.916 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1F 2325748011 UTLDUSDQXJKXMV-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2326274567 NTELUTXRAMOBQM-TVZXLZGTSA-N 442.600 4.945 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(F)cc1 2326750002 NPSOOGQCGLOWHD-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE CCn1cc(C=Nn2cnnc2SCc2ccc(C(=O)OC(C)C)o2)c2ccccc21 2326862855 LJRQHGDAXMANBV-UHFFFAOYSA-N 437.525 4.585 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2F)n1N=Cc1cccnc1 2328280117 FIXRIJUITBHETJ-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328533873 OMLLLBIIIOKFBB-UHFFFAOYSA-N 431.905 4.640 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccn1 2330085881 JFVDSIQKIJTJTQ-KRWDZBQOSA-N 444.520 4.908 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3)nnc2-c2cccs2)cc1 2330579209 GSKVSGZZEPUWIA-UHFFFAOYSA-N 434.546 4.968 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2330710860 YFNJMZKHGFSUAY-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2)cc1C 2331112557 XCFHSKUTCRZPKS-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2C)c(C)c1 2331170142 DDICAQMLUVPQNQ-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE COc1cc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2C)cc(OC)c1O 2331431279 JZKVVZRZXMZPBF-UHFFFAOYSA-N 440.569 4.682 30 10 IJEE CCN(CC)c1ccc(C=NNc2oc(-c3ccc(Br)o3)nc2C#N)cc1 2331936518 MQAWOVWGXBPHQA-UHFFFAOYSA-N 428.290 4.861 30 10 IJEE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339537515 QZBSPNJIGROKKT-OAQYLSRUSA-N 433.405 4.827 30 10 IJEE C[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C)CN1Cc1ccccc1 2339574032 BKRRKRKCVLULID-SFTDATJTSA-N 433.405 4.825 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339586204 BASVLGZOGSVLGP-KICKTSRDSA-N 443.397 4.784 30 10 IJEE CCCN[C@H](C#CC1CC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2362736588 LFNDUEPGAIQSRC-UXHICEINSA-N 435.406 4.667 30 10 IJEE NCCCO[C@H](C#Cc1cccs1)c1scc(Br)c1Br 2363631798 LZMDHYJPEBXGTK-GFCCVEGCSA-N 435.206 4.793 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3cccc(Cl)c3)nn1[C@@H]2c1ccc2c(c1)OCO2 9731844 AYOKKNLWCIPRPA-OAQYLSRUSA-N 448.910 4.985 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc(C)c2c1 12241397 BQNBUCSSUKNDKA-UHFFFAOYSA-N 440.463 4.686 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C 16064148 OBFSUYITRPAWJJ-QGZVFWFLSA-N 436.581 4.849 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1ccccc1C(F)(F)F 33553418 FJMIBWWSKLRGRG-ODLFYWEKSA-N 429.350 4.932 30 10 IJEE C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 36306454 UJJDFKJPEGAFQS-HSZRJFAPSA-N 447.579 4.716 30 10 IJEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2)C4)cc1OC 41645339 OGYSLNKTMAIDKI-CFRMEGHHSA-N 443.499 4.981 30 10 IJEE O=C(N/C(=N/c1cccc(Cl)c1)NCc1ccncc1)c1cccc(Br)c1 45939960 VPRFGTYSEGWLNR-UHFFFAOYSA-N 443.732 4.705 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2OCCOc2cccc(OC)c2)SC1=S 103475782 LTSAMZBHZNLAHV-XSFVSMFZSA-N 427.547 4.540 30 10 IJEE COc1cc(/C=N\n2c(C)nnc2SC)cc(Br)c1OCc1ccccc1 169914789 KIKRKOKDHSFWBD-NHDPSOOVSA-N 447.358 4.541 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2OC)c(C)c1 169942546 HWYHJLIDRJXMPS-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 170048162 LSLOERCBTQFNFQ-HSZRJFAPSA-N 446.478 4.683 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)cc1 170094618 CLGGWWLMIJOVJI-HXUWFJFHSA-N 436.851 4.674 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)cc1 170198241 VGALDJUZRJRYNB-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC)cc1 170216052 AOWFNMIVRBXDSL-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccc(O)c2)cc1 170259649 HJVLVFSBDZNYGK-XMMPIXPASA-N 441.483 4.809 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170292371 QKLFCJCZKWPXPP-SFHVURJKSA-N 429.259 4.760 30 10 IJEE Cc1ccc2onc(CC(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)c2c1 170509451 CVOSTIGDBPDHAM-UHFFFAOYSA-N 436.475 4.540 30 10 IJEE COc1cc(/C=C\C(=O)NC2(c3cccc(Br)c3)CCC2)ccc1OCC#N 213802674 JUHJWPQYWXWDEP-CLFYSBASSA-N 441.325 4.569 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCC2(C)C)ccc1Cl 216790077 QEZSHSPFKSYJKY-UHFFFAOYSA-N 432.973 4.736 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC2(CCOCC2)c2ccccc21 460953209 SOJYRCAVHUKPRK-UHFFFAOYSA-N 441.535 4.505 30 10 IJEE C=C(C)[C@@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)c1ccc(F)c(F)c1 478921223 IEXWPWVYHZKHTG-HSZRJFAPSA-N 441.522 4.662 30 10 IJEE Cn1c(O)nc2ncc(-c3cccc(C(=O)N[C@@H](CCCC#N)c4ccccc4)c3)cc21 487505681 UXHRNSMBXZIDOY-NRFANRHFSA-N 425.492 4.506 30 10 IJEE C=CCc1cc(CNC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc(OC)c1OC 495177646 MTHBDYDMCKTNMT-UHFFFAOYSA-N 426.479 4.887 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 508463958 JYJKYFQUPXUWAY-LJQANCHMSA-N 432.446 4.938 30 10 IJEE COc1cc(/C=N\n2cnnc2SCc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 526806260 XYWLRTQJFNIYIU-MXAYSNPKSA-N 440.569 4.776 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C(=O)OCC)o2)cc1 526829880 FBUUSAUMBJXVGJ-UCQKPKSFSA-N 442.541 4.574 30 10 IJEE Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)oc2ccccc12 568553006 IOZRYBAVQYGDEA-UHFFFAOYSA-N 425.444 4.660 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 568667756 DUAGROSAANXUJB-PGRDOPGGSA-N 449.020 4.574 30 10 IJEE N#Cc1cccc(CN(c2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)c1 586203494 YFWCTLLLXQICBW-UHFFFAOYSA-N 435.524 4.693 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)c(F)c1 610402670 YWPTTWBTOCFYDD-UHFFFAOYSA-N 444.388 4.903 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Cn2c(C)c(Br)c3ccccc32)cc1 614238225 WDNYGYNUCGBACO-UHFFFAOYSA-N 441.329 4.658 30 10 IJEE N#Cc1cc(Cl)ncc1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687740164 DYHFYCBIFWPOQX-NRFANRHFSA-N 447.878 4.661 30 10 IJEE Cc1ccc(N=C2C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1Br 725444153 HDQQRASRYKBOES-UHFFFAOYSA-N 426.358 4.914 30 10 IJEE CC(C)Oc1ccc([C@@H](O)CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740057473 HONQAOAZWTXHMQ-QFIPXVFZSA-N 435.549 4.607 30 10 IJEE C=CCc1cc(OC)cc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1O 754726509 KEAHUNDCQBKAJX-QFIPXVFZSA-N 426.944 4.731 30 10 IJEE CCCN(C(=O)c1cccs1)C1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 769939759 ARWRTHLLDXEOIU-UHFFFAOYSA-N 431.989 4.821 30 10 IJEE C#CCN(C(=O)c1ccoc1C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 812995990 SBDAOZSICZJOCN-CQSZACIVSA-N 428.204 4.660 30 10 IJEE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[C@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806836 RAJKGSWPMHLWTN-CJNGLKHVSA-N 435.455 4.780 30 10 IJEE C=C[C@](C)(CC)C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1124159408 LPSZVQHEISYZGA-FIIODCPWSA-N 427.353 4.748 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1C[C@H]1OC(C)(C)C)c1ccc2c(c1)OCCO2 1124367247 BFENXWWTAGJOKU-NFBKMPQASA-N 437.536 4.759 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1125778977 BOZOQRCOYNFHIF-FYYLOGMGSA-N 436.527 4.796 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1127890486 FNLNUJWBYAYCOR-VGOFRKELSA-N 427.479 4.595 30 10 IJEE Cc1cccc(-n2c(C)c(C)c3c(NC(=O)[C@@H](C)Oc4ccc(C#N)cc4)ncnc32)c1 1127959907 DXHANZWQHHFRJQ-GOSISDBHSA-N 425.492 4.623 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnnn1-c1cc(Cl)ccc1Cl 1128907560 MWOQBYWGYQUYHP-UHFFFAOYSA-N 433.343 4.570 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)s1 1130152618 ZUCWNSASCLHHAF-OAHLLOKOSA-N 447.066 4.959 30 10 IJEE C=CCC1(C(=O)N2CCC(N3[C@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)CCCCC1 1133782678 UHJGYPVCROFLBS-VXKWHMMOSA-N 445.648 4.588 30 10 IJEE C=CC(C)(C)CC(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1134015685 JADBXTQFGWOANT-RTBURBONSA-N 428.573 4.745 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 1137722094 WARZOCMVDFPIOS-HOTGVXAUSA-N 426.916 4.580 30 10 IJEE C#CCN(C(=O)c1ccc(-c2ccsc2)nc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1155367790 XOZQLGGHMORPKT-UHFFFAOYSA-N 439.581 4.593 30 10 IJEE C#C[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CCC2 1159765149 XMSVGNYTTJFOMG-MDJJKAFGSA-N 434.898 4.628 30 10 IJEE C#CCOCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[C@H](C)C3 1165221641 DQTDQAFFEQISMZ-ZDUSSCGKSA-N 430.982 4.925 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N([C@@H](C)COC)[C@H]1CCc2ccccc21 1169954824 XKFUJDIKSMWGLY-NYVOZVTQSA-N 430.589 4.787 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2c(F)ccc(C(F)(F)F)c2Br)c1 1180161721 NRMPKLLCIRNACM-UHFFFAOYSA-N 443.238 4.659 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1C#N 1205447923 AYEROANGHUGVGN-UHFFFAOYSA-N 440.507 4.791 30 10 IJEE COC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccccc3O[C@@H](C)C#N)cc2)ccn1 1209130877 FFZUCGTWISTXES-HNNXBMFYSA-N 432.436 4.595 30 10 IJEE C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1226075024 GTECFTDHKWFOJE-VSDWSMLSSA-N 446.551 4.689 30 10 IJEE C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1265032636 BDUIEULXADEHFV-NRFANRHFSA-N 440.543 4.986 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1)c1ccccc1 1265140667 WSWPZBRZKDVGSD-LADGPHEKSA-N 434.580 4.573 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCC(F)(F)C1 1286277147 BKJIUXLSYDVJGN-OKZBNKHCSA-N 432.515 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC1CCCC1 1286278596 DYOBOUGCVFXWGE-QZTJIDSGSA-N 426.630 4.939 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286295717 KIJQTZLXWSMPNN-NHAYFPRASA-N 448.489 4.617 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1286342450 CPDBHYJUKAOOON-HXUWFJFHSA-N 444.457 4.857 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1[C@@H]1C[C@H]1C(C)C 1286457738 UWTFXOUTUMYACS-SESVDKBCSA-N 445.007 4.991 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1cccnc1OCCCC 1286524242 FICQOIWKSYMSLK-XMMPIXPASA-N 435.597 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC(=O)NC(C)(C)C 1286567662 WOYSBVCYDNGAKK-QGZVFWFLSA-N 443.661 4.839 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](SC)C1 1286610092 WXGPVPUCKLAONL-FQEVSTJZSA-N 435.037 4.837 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1286646190 MWEYUZUEPGZRRO-NFBKMPQASA-N 440.588 4.503 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1286655144 KNVUZPFDTKFPOG-NHCUHLMSSA-N 432.616 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](CC)C1 1286668526 ZVOFMFTWNXFXFI-QGZVFWFLSA-N 429.996 4.700 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286684575 LFYGIZKHAMRSML-IBGZPJMESA-N 426.561 4.814 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1286694905 JWMJPJAXBSBLKS-UYAOXDASSA-N 428.552 4.776 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCc1ncc(CC)s1 1286756560 ZTMJYBNXDATWAW-UHFFFAOYSA-N 430.581 4.933 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)c2ccc(F)cc2)C1 1286809952 XCLSPLBWKOWNHI-NRFANRHFSA-N 435.547 4.547 30 10 IJEE C#CCN(C(=O)c1cc(COc2cccc(C(C)=O)c2)on1)[C@H]1CCCc2ccccc21 1289232265 ADJXIZRANRDCJV-VWLOTQADSA-N 428.488 4.609 30 10 IJEE CC[C@@H](C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1291759248 DXTCARUUSYVXKA-QZTJIDSGSA-N 440.661 4.602 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1299852855 NJAWHERIACTJID-IBVKSMDESA-N 444.575 4.812 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCC(F)(F)F 1300609031 HRFWXRNTBHNOON-UHFFFAOYSA-N 433.247 4.649 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@](C)(O)c1cccs1 1300649412 VIYGRCRACNVKJH-DEOSSOPVSA-N 438.572 4.684 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)[C@@H](C)C1CCC1 1300830024 OBSUAMQZMAPPRE-HNNXBMFYSA-N 449.393 4.886 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCc2cccs2)CC1 1300937430 ZGOIERNPNAPVLJ-UHFFFAOYSA-N 445.995 4.740 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(F)F)c2)CC1 1301130368 YFSAXHBLWCDPHA-UHFFFAOYSA-N 426.515 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)NC(C)(C)C 1301143658 MYQKYTOTJFLARM-UHFFFAOYSA-N 448.011 4.560 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](C(=O)NC)C1 1301202325 HESDKURGNUFOIP-OAHLLOKOSA-N 444.004 4.742 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cc(C)no1)C1CC1 1301317394 RFPQIXPRQPRXAR-UHFFFAOYSA-N 448.752 4.861 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC=CCC1)C1CC1 1301326440 AGNHBVCZSOAXNC-PMACEKPBSA-N 441.620 4.904 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC(C)CC1 1301399096 FWZFJMFGQZTJCY-QHCPKHFHSA-N 444.627 4.696 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(F)(F)F)C1 1302978411 CBVOTIUPCVMVHH-GOSISDBHSA-N 439.413 4.817 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCO1 1303066466 GSPAAOYGEJZPBB-NJDAHSKKSA-N 431.625 4.532 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2cc(Br)cc3cccnc23)CC1 1307674534 GGIQAJLSZQBZPM-NRFANRHFSA-N 439.332 4.519 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 1309955809 SWYLAJIQOFCJTL-HXUWFJFHSA-N 436.618 4.511 30 10 IJEE CN(C)[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1cccc(F)c1 1310721683 DLZSWGWVQWBKLV-NRFANRHFSA-N 448.546 4.605 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1)c1ccc(F)c(F)c1 1311851135 PSKOENYXUBPEIH-HRAATJIYSA-N 435.902 4.822 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(-c3ccc(OC)cc3)n(C3CCCCC3)c2=S)C1 1325205823 JVVNXPRXULEOPA-NRFANRHFSA-N 428.602 4.829 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1cc(-c2ccc(OC)c(OC)c2)sc1C(=O)OCC 1351028640 PFLOEOZETQDYFL-UHFFFAOYSA-N 449.528 4.772 30 10 IJEE C=CCN(C(=O)c1cc(Br)ccc1I)c1ccccc1 1352310228 AMPSPXHYTNDMAG-UHFFFAOYSA-N 442.094 4.887 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1 1355065318 DJBDMKYEWKFIAQ-UHFFFAOYSA-N 444.556 4.909 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)cc2)nc1 1357156564 GDXKMFXBCGESLW-UHFFFAOYSA-N 429.867 4.896 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1csc(C)n1 1358874862 FAFOOUDWXLTKAC-KRWDZBQOSA-N 444.608 4.818 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](c1cccnc1)C(C)C 1358887597 ZPKQCHXPXYFTES-KNQAVFIVSA-N 440.551 4.893 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCC2(C)C)CC1 1359032373 MJJSMLOIAZAFAN-QGZVFWFLSA-N 446.426 4.833 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)C[C@H]1CC 1359062218 ZNRCMDYSIKKNOC-QZTJIDSGSA-N 430.643 4.570 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1359062386 GGDOJLDXKLBUHI-SRHPJPHMSA-N 430.662 4.578 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CC)CC 1359102587 CXPFNWXZTHHAEH-AUSIDOKSSA-N 426.605 4.982 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(OC(F)(F)F)cc1 1359113068 ZBJYMYGRTJISEZ-GOSISDBHSA-N 438.494 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@](C)(O)C1CCCCC1 1359114054 WXLANVQUKNYAAE-RCZVLFRGSA-N 440.588 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1359115920 QXUPIEXXYVFKRQ-JOCHJYFZSA-N 425.621 4.688 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1359123644 DQMKGWWQIOPQDP-XZOQPEGZSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1C1(c2ccccc2)CCC1 1359192481 GTGFNVQTGLJGOI-HXUWFJFHSA-N 436.600 4.740 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2ccco2)C1 1359212499 NQBFVQBWXXNAQR-LJQANCHMSA-N 443.345 4.845 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C)cc1OCC(F)(F)F 1359242823 UWHIVURTWDNPTC-UHFFFAOYSA-N 436.503 4.850 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)OC 1359276371 AOQJYCQMQNIGGA-ROUUACIJSA-N 440.613 4.994 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)CCC2)C1 1359316697 UPXARSAGZFRPIQ-MRXNPFEDSA-N 449.368 4.818 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccoc1 1359337664 XTEBLKXSUBTEOC-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccncc1)Cc1cccs1 1457131692 RJPKMQOPWUCUSL-GOSISDBHSA-N 435.977 4.708 30 10 IJEE CCOC(=O)[C@@](C)(CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 1459029088 CEGCLUQNQWGFMU-SANMLTNESA-N 446.478 4.740 30 10 IJEE Cc1ccc(N2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c(C)c1 1460483753 FAESGMCQVWBRLF-IBGZPJMESA-N 436.625 4.655 30 10 IJEE C#Cc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)cc1 1468177849 BLKITGUIPBWMSH-UHFFFAOYSA-N 442.316 4.971 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCOc3c(OC)cccc32)cc1 1476042021 WGVIUFVXQGQJBS-OAQYLSRUSA-N 435.524 4.545 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CCCC1(C)C 1476542107 YAGOJCYZMXVQMT-FQEVSTJZSA-N 442.585 4.622 30 10 IJEE C#C[C@H](NC(=O)NCC[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1478235733 LVIJMGQATDVVRP-LTMIRXACSA-N 427.951 4.753 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1 1478257088 HBUANHRDSWTVPE-UTKZUKDTSA-N 449.364 4.746 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(CCOc2ccccc2Cl)CC1)c1ccccc1 1478257746 PBUNNBRCVZAUBA-JOCHJYFZSA-N 427.976 4.754 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C[C@@H](C)O1 1499696047 DMCOFBHHLYVUCR-YLJYHZDGSA-N 435.597 4.860 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)cs1 1503921645 DFQALWQPPKHKBK-CVEARBPZSA-N 448.552 4.819 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccc(C)s1 1507522285 UWQJNFCFEBBPLV-ZDUSSCGKSA-N 445.386 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1507547732 PTOWXYFLKPXBAQ-FIKGOQFSSA-N 431.005 4.663 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1CCOCC1 1507575517 SAWDMTKKRQJPDY-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507653492 YEVKLQAOICZRLN-HZPDHXFCSA-N 436.428 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507673468 VYNDNKNJEVLNRA-VQTJNVASSA-N 444.501 4.922 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)C1CCCCC1 1507805121 IUNOLNPPIJLSIO-OFVILXPXSA-N 449.599 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCN(C)c1ccccc1 1507810757 YBWVZKRZLQRZJG-RDGATRHJSA-N 437.632 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1csc(C)n1 1507812138 IWKDAPKVFVQDNZ-MRXNPFEDSA-N 429.565 4.967 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN(C)C(C)C 1507819855 WDWPUXKMPCSYAS-HSZRJFAPSA-N 425.621 4.811 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCCN2CCCC)CC1 1507889864 ZIFTXEWKZUVULF-HSZRJFAPSA-N 437.632 4.977 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1507996985 NGFBDMVIJVGJRV-CLOONOSVSA-N 425.596 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)NC(C)(C)C 1508012516 YQGCITNFGAUTRC-UHFFFAOYSA-N 436.387 4.735 30 10 IJEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccccc1C 1508164738 LOXDAPMGQZAZFX-FQEVSTJZSA-N 446.624 4.942 30 10 IJEE C=CCN(C(=O)c1cc2c(Cl)cncc2s1)[C@H](Cc1ccccc1)C(=O)OCC 1516155618 KODJHLDOCQVLBW-GOSISDBHSA-N 428.941 4.752 30 10 IJEE C=CCn1c(SCC(=O)NCCc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 1516361028 AXLVRBXYCCXNNM-UHFFFAOYSA-N 441.000 4.852 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(Br)c(OC)c(OC)c2)cc1 1517877455 FVXVAQBZECOLOO-UHFFFAOYSA-N 448.313 4.728 30 10 IJEE CC(C)CN(CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)OC(C)(C)C 1520525715 GNUIFSIQJZJFKE-UHFFFAOYSA-N 437.540 4.969 30 10 IJEE C=CCN(C(=O)c1cnn(-c2ccc(F)cc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1522119921 UYQNWNWLCYCOQC-UHFFFAOYSA-N 449.467 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cccc21 1524310875 ACUQMGADAQSHKI-FCHUYYIVSA-N 431.536 4.666 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc2c(c1)nnn2C)c1ccc(C)c(C)c1 1524802889 HWOUVQQJROQGRQ-UHFFFAOYSA-N 426.520 4.997 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C)ccc1I 1525639054 AFTGNANXCCNURI-UHFFFAOYSA-N 437.325 4.596 30 10 IJEE N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 1526493527 HBZPLJAIKRDRMU-UHFFFAOYSA-N 433.558 4.944 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c1 1527617316 XCRBPMHWVAHSPB-UHFFFAOYSA-N 425.492 4.518 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc3cc(C)c(C)cc3c2C)cc1 1534003597 XEEPABGHBYTYBH-UHFFFAOYSA-N 428.579 4.885 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1534971250 SNEBBQIRLGZEJF-IBGZPJMESA-N 443.422 4.898 30 10 IJEE C=CCC1(C(=O)Nc2ncc(Br)cc2I)CCCC1 1535234312 ISYLIPDTSSUBFC-UHFFFAOYSA-N 435.103 4.524 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCc3ccc(OCC(F)(F)F)c(OC)c3)cc2n1 1536229746 HTUSUEIBDQJOOQ-UHFFFAOYSA-N 433.430 4.743 30 10 IJEE N#Cc1ccc(CCNC(=O)c2ccc(COc3ccccc3Br)cc2)cc1 1538889939 HCJCWSKYVQVMKT-UHFFFAOYSA-N 435.321 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC)c1ccccc1 1538971561 BYMPGHRBRVFOJJ-HZPDHXFCSA-N 426.362 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC1CCC(C(F)(F)F)CC1 1539032378 VTJPNCJTUNWKJN-GTPINHCMSA-N 438.469 4.823 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC)CC1CC1 1539066029 OPRWQDIYTQQVMD-OAQYLSRUSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCc1sccc1C 1539333891 NYJLPRCCFRMUAK-UHFFFAOYSA-N 432.593 4.549 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](OC)C1 1539952970 CFRISZLKTRUBJQ-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)CCOC 1540054391 PNFOCOHVRLAZKX-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cn2ccc(C)cc2n1 1540087250 SUOWYROPFGEALN-UHFFFAOYSA-N 444.583 4.781 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1csc(CC)n1 1540146824 JXPWRDKPQMSMES-UHFFFAOYSA-N 436.610 4.585 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)=C(Br)C1 1540855546 ZHUVBWJTKBYMJC-UHFFFAOYSA-N 444.196 4.834 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)[nH]n1 1542099744 BPTNSIHNVYCFIR-QFIPXVFZSA-N 430.508 4.530 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CCC(C)CC2)cc1 1543086597 LZFACQHXYPFSAU-HXUWFJFHSA-N 435.996 4.893 30 10 IJEE CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1544302099 DSGSLQXXQIAQCX-UQBPGWFLSA-N 445.563 4.798 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)c1ccsc1 1552749727 HVACIYATUFFTCL-OAQYLSRUSA-N 434.613 4.808 30 10 IJEE C=CCN(CC(=O)N[C@H](C)Cc1ccccc1C)Cc1cc(Br)ccc1F 1559518522 WVBOQDQAIGWZDL-QGZVFWFLSA-N 433.365 4.632 30 10 IJEE C#CC[C@@H](NCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1 1559702415 QWLCIDRDEIACAE-CLJLJLNGSA-N 432.589 4.759 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cc1 1562262752 AYHNPNSYXPVIEM-LJQANCHMSA-N 439.478 4.512 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(I)cc2OC)CCCC1(C)C 1562855591 CCRFGRNTGJTADI-INIZCTEOSA-N 428.314 4.898 30 10 IJEE Cc1ccc(C(C)C)c(OCCC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1568262952 BACKMNJXOYXNGS-UHFFFAOYSA-N 425.960 4.761 30 10 IJEE Cc1nc(SCC(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)c(C#N)c(C)c1C 1584190931 CUYNBIJHYWFQHM-CYBMUJFWSA-N 446.979 4.500 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)C(C)(C)C)cc1 1585443329 NRZFMDIXVPNQID-JOCHJYFZSA-N 444.579 4.900 30 10 IJEE CC(=O)c1ccc(C(=O)Oc2c(Br)cc(C#N)cc2Br)c(F)c1 1585974521 QEIDGRBSKJDXML-UHFFFAOYSA-N 441.050 4.644 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1ccccc1 1586027954 UQONXRMGRRQURS-SSEXGKCCSA-N 427.526 4.684 30 10 IJEE Cn1c(CC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)nnc1-c1ccccc1 1587448569 HFULMABDDBKBGT-UHFFFAOYSA-N 425.517 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1 1587598516 BXGOBKMOGKOHFC-DLBZAZTESA-N 432.515 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@](C)(CC)O1 1587603273 IPJWPKKASXERTE-MRUHUIDDSA-N 431.378 4.513 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCC1CCOCC1 1587807451 DHCBAMOCGLQXCW-GOSISDBHSA-N 430.980 4.738 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1nc(C(C)(C)C)cs1 1588016111 KWDNPNVKUPWISK-UHFFFAOYSA-N 444.004 4.577 30 10 IJEE C=C(Br)Cn1c(N(C)C[C@H]2CCCCO2)nnc1C1(c2ccccc2)CCC1 1589460238 MUXUYFZSSXDGCY-LJQANCHMSA-N 445.405 4.662 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(Nc3cccc(C)c3)CC2)nnc1C(C)(C)C 1589577708 DOIMKVJTQSDORM-NZQKXSOJSA-N 437.632 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCOC[C@H]1C 1589625315 AWUJCRPTGOEFRM-TZIWHRDSSA-N 442.604 4.816 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN2CCC)CC1 1594013859 MFRATBKJOKPUTL-PMACEKPBSA-N 427.568 4.588 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1594497497 IBJHZEBFTKKONN-XZOQPEGZSA-N 438.616 4.612 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(Cc2cscn2)CC1)c1ccccc1 1594536413 YCBAVNRHRIAFQU-NRFANRHFSA-N 436.629 4.540 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1594544839 NFRHZLIJFZAXJK-HSZRJFAPSA-N 435.616 4.743 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCS1 1595161857 NRLPEWOBHWRUJK-QFIPXVFZSA-N 425.627 4.804 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 1595675114 YLJRWASTQRYMCU-QKNQBKEWSA-N 443.661 4.502 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1595900729 HWTNVGCJSYVSKC-QHCPKHFHSA-N 425.602 4.523 30 10 IJEE C#Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 1597402658 IQORDLPYHHYPCJ-DHLKQENFSA-N 428.557 4.839 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)CSc3nccn3Cc3ccccc3)cc2)nc1 1597988877 AHCZSLDWKIHGQS-UHFFFAOYSA-N 441.516 4.721 30 10 IJEE C#C[C@H]1CCCN(CC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)C1 1618915688 BTTRIVDGRFUSPP-HNNXBMFYSA-N 430.957 4.529 30 10 IJEE C#CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 1620613462 GPSVXYTXFNNPMF-HXUWFJFHSA-N 446.288 4.712 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)c1ccc(F)cc1 1622167601 IZBBVHZKEHOWGO-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(Br)cc1 1623286069 VRYSGRQSBPJFEN-AWEZNQCLSA-N 442.191 4.872 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1Oc1cccc(F)c1 1624613884 VPDTYZHICUQAHL-HXUWFJFHSA-N 443.519 4.879 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1625801167 PWZULAHQKNFLOX-GOTSBHOMSA-N 431.536 4.755 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1629242770 ONGWTDDAXNRBMK-DENIHFKCSA-N 426.582 4.969 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1630744701 ZSLFWOURSQJWSR-HSZRJFAPSA-N 437.584 4.740 30 10 IJEE C=CC[C@]1(C(=O)NCCc2c[nH]c3cc(F)c(C)cc23)CCCN1C(=O)OC(C)(C)C 1630825579 XRNXKAFCSHFXHP-XMMPIXPASA-N 429.536 4.620 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 1640397350 MYKMJFLGKMACRI-VGSWGCGISA-N 430.545 4.800 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCC2(C#N)CCOCC2)cc1 1640486986 HKIDKPJFCVTIES-UHFFFAOYSA-N 434.927 4.551 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(Cc2cccc(F)c2)C(C)C)cc1 1644402255 GQLPPNDJXOGKBG-UHFFFAOYSA-N 448.542 4.963 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1)c1ccccc1 1648461084 AATAKURAPBGKPX-WJOKGBTCSA-N 436.533 4.913 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)C1 1649662679 FOHITGWZODDCAR-RTWAWAEBSA-N 439.629 4.886 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Br)c1F 1650764982 MUKZHWYAMQZWKR-ZIAGYGMSSA-N 426.330 4.955 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1651326136 XMMPGTCZTCRNJU-XMMPIXPASA-N 430.935 4.839 30 10 IJEE COc1cc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)ccc1C#N 1651953240 HIFFSAPUWXCYPW-HXUWFJFHSA-N 435.867 4.570 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(CCC)[C@@H](C)c2ccccc2Br)c1 1653172882 SBYFCJSDXVSDDM-INIZCTEOSA-N 442.357 4.552 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 1653479753 GHXJCVNZWVLFOE-VWLOTQADSA-N 444.966 4.828 30 10 IJEE N#Cc1ccc(OC2CCC(NCc3cccc(OCc4ccccc4C#N)c3)CC2)nc1 1656906868 BCCJBHWTBQTMOI-UHFFFAOYSA-N 438.531 4.884 30 10 IJEE N#Cc1ccc(C2CCN(S(=O)(=O)c3cc(Cl)ccc3Br)CC2)cc1 1657213738 FBVULSCWFSFXBR-UHFFFAOYSA-N 439.762 4.542 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)CCCOc2ccc(OC)cc2)c1 1661907852 HNRHPYHKCDADML-UHFFFAOYSA-N 441.574 4.544 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)cc1 1666622578 FHKSELZSXFSUAY-UHFFFAOYSA-N 430.483 4.630 30 10 IJEE C#CCC[C@H](O)CNC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(OCC)cc1 1667266899 ZQOASLGBUUCWEB-INIZCTEOSA-N 436.430 4.792 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC1CCN(CCC(C)C)CC1 1672708269 IYBBWANEDDBNNN-UHFFFAOYSA-N 438.410 4.894 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc21 1673307422 QEVZJTIFRMRMEU-HXUWFJFHSA-N 435.528 4.610 30 10 IJEE CC(C)OC(=O)C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)C 1673452708 BNWQFZRPFJNGHQ-QHCPKHFHSA-N 437.540 4.819 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 1673471672 GUWUTNKVEYBXOH-XMMPIXPASA-N 442.494 4.826 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c1 1674221308 FHTNSJUOSGZRJI-VWLOTQADSA-N 443.547 4.691 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)c1ccc(Cl)cc1 1675495848 CVBNNGHWLADMFQ-VXKWHMMOSA-N 425.960 4.549 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 1676890568 YHHBIROTQWUDBN-AUSIDOKSSA-N 444.959 4.578 30 10 IJEE C#CCCCCn1c(N(C)[C@H](C)c2cc3ccccc3o2)nnc1[C@@]1(OCC)CCOC1 1689907053 ZJOHJWXLCCYBJN-KBMIEXCESA-N 436.556 4.677 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCn1nc(C)cc1C 1690267013 QPAXSEBDXNLYDO-UHFFFAOYSA-N 426.996 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCCCO1 1690271237 ISKDDZZHCRRFFV-UXHICEINSA-N 447.624 4.712 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C)cc2OCCCOC)CC1 1690397039 UDDZVGQIFZQSBE-UHFFFAOYSA-N 426.605 4.750 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(F)(F)F)CC1 1690428003 AHYWABCIZBAROD-UHFFFAOYSA-N 446.521 4.713 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1690441861 HZQXUNLACIQBIT-DENIHFKCSA-N 426.605 4.987 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1690456025 SHUVUUZHIVQCEO-OAQYLSRUSA-N 448.958 4.799 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 1690512447 XWXKSUGKEQRIBF-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1690517739 MXHONKKPLRBFIT-UHFFFAOYSA-N 445.276 4.675 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](CCC)C1 1690632621 GLYBJMDKOSLUFH-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1690632698 LJKNQRMVXSSUIR-UHFFFAOYSA-N 437.544 4.713 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C2CCCC2)CC1 1690736082 SFJGSOLLEMLGEK-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690737382 KLXAFXKMBKZDRB-LJQANCHMSA-N 446.064 4.830 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1Cc1nc(C(C)(C)C)cs1 1692660591 DDQIIWAZFJXDKZ-QGZVFWFLSA-N 447.612 4.822 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1693247788 FMOQRZGWPPUYNM-LZYPDUGYSA-N 434.632 4.894 30 10 IJEE CCN(CC)[C@H](C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC#N)CC1 1695671481 DJOCIGYVJVRSTK-HXUWFJFHSA-N 440.661 4.739 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)C1(C)C 1696193408 IERIUZXGBICSKI-UXHICEINSA-N 427.618 4.598 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(C)C)C2)CCOCC1 1698359781 FJLVTBHCNNFAFM-NRFANRHFSA-N 439.629 4.601 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCC=C(Br)C1 1705519351 HUWUMYPNQHBGKC-UHFFFAOYSA-N 427.390 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccnc(C(F)(F)F)c1 1705713727 QWNWSAMWOHVJHJ-UHFFFAOYSA-N 445.445 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1705717007 AJYQEJCRQGVKLJ-GOSISDBHSA-N 449.386 4.925 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705784758 IBTOKJBOILFJBW-CVDCTZTESA-N 445.007 4.974 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC(=C)Br)CC1 1705785267 BMHZEHMWCNMBLV-UHFFFAOYSA-N 447.377 4.567 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705806513 GKIRTELUDMPZGJ-AQNXPRMDSA-N 443.636 4.841 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1CC2(CCOCC2)C1 1705834784 RYGISNOPPKVQKO-LJQANCHMSA-N 440.588 4.646 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCc1cn2ccccc2n1 1705856064 DQSAGADXMJZNFC-UHFFFAOYSA-N 444.583 4.667 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccc(Cl)nc1 1722276059 CLMPUMLSEBAZKP-HNNXBMFYSA-N 448.983 4.932 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 1722328054 WKMCXGCJLRGTHV-SFHVURJKSA-N 437.975 4.731 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(OC)CCC(C)CC1 1722373322 LVQMOQFKYRGQFQ-IQRAHLBDSA-N 448.611 4.703 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722404309 YNGFPFUQECPDOX-LJQANCHMSA-N 445.995 4.607 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cccs1 1722465236 GUASLHKHYYOVRO-IBGZPJMESA-N 442.585 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](SC)C(C)(C)C 1722469524 GUNBUZIVMYDXRG-PGRDOPGGSA-N 427.574 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCO[C@@H]1CCOC1 1722502274 NCVMEEQRCZQKSC-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](c2cccs2)N(C)C)CC1 1722568165 CXMBKVZODDUORZ-NRFANRHFSA-N 437.613 4.686 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCCC[C@@H]2C)CC1 1722570024 SNBFQKONXLCTQP-NRFANRHFSA-N 441.595 4.807 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCC[C@H]21 1722623198 AUZMSOGJDSRUBJ-PKOBYXMFSA-N 431.378 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1722635294 PHXNRVWDMXEFGE-DYESRHJHSA-N 433.394 4.986 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1722643625 UOAKHZVWLUUVDB-UHFFFAOYSA-N 433.478 4.720 30 10 IJEE CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H](c1cccs1)N(C)C 1723147425 CNUBRJBWFBDYKI-OAQYLSRUSA-N 434.613 4.807 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)CCCC1 1729946645 CZBPYISEVCVNGU-UHFFFAOYSA-N 447.505 4.945 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1740590448 LTVYVPXKHSPOHF-QUCCMNQESA-N 427.618 4.897 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(SC)CC1 1740631036 NZPIADONOKYOSD-GOSISDBHSA-N 443.016 4.657 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1740723997 WENQORMIUJCWNL-MSOLQXFVSA-N 432.684 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[C@@H](O)C1 1740725681 OXKCZZJMNFUHGD-YYTKYJTOSA-N 442.991 4.615 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1740759529 JXAYFHJSKYRKFP-XMSQKQJNSA-N 426.586 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(OC)CCC(C)CC1 1740774459 SYHZYGOEQLABAS-WRVMZKTCSA-N 440.588 4.788 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CCc1nc(C)c(C)s1 1740775224 RASAVDQLGUTZEV-UHFFFAOYSA-N 425.602 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(OC)CCCC1 1740777028 KKSHNNKDAUDLOM-IBGZPJMESA-N 447.624 4.712 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740780343 RHKDGCMYNWYVQF-KDURUIRLSA-N 444.023 4.500 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](C)C1 1740789627 HIZKYSUVZTYRPO-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@H](C)C1 1740790413 RSCBHUDPWJRZMC-FQEVSTJZSA-N 442.604 4.960 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2Cc2cc(C)on2)CC1 1740833186 MQEKQCFSCVRZEP-GOSISDBHSA-N 437.544 4.564 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncccc2F)CC1 1740861050 ZOCKBAHYKXEFQT-UHFFFAOYSA-N 434.563 4.725 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740880218 XLGBFJISKITJIG-JOCHJYFZSA-N 437.632 4.751 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCC1(OC)CCC1)C1CC1 1740908341 UARVKCSIUAJXGT-UHFFFAOYSA-N 449.368 4.961 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCCN1CCCO[C@H](C)C1 1740923573 PJBBPIIHZHDRAD-HXUWFJFHSA-N 445.677 4.622 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1)C(C)C 1740926946 NPLQIVSDNSNAFM-FCHUYYIVSA-N 445.696 4.817 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCCCCCC1 1740952780 NPHQYMQTGRQVLX-UHFFFAOYSA-N 444.004 4.886 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)O[C@H](CC)C2)cc1 1740967816 RGJQAUSQPVQKKW-GHTZIAJQSA-N 438.597 4.547 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2ccsc2)C1 1740972324 GVDDAOUAQDHJEB-IEBWSBKVSA-N 442.560 4.643 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@@H](CC)C1 1748702351 DIDKJARTXXXZKI-SFHVURJKSA-N 433.419 4.843 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1748710453 QDEQWDBXURXEIQ-OAQYLSRUSA-N 448.615 4.696 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC[C@@H](C)N1CCCCC1 1748939999 BRRCZBYUBWNSLA-NHCUHLMSSA-N 425.596 4.835 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC1CCCC1 1749124362 MYYOQPWTEWXRQS-NZQKXSOJSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1csc(CC)n1 1749137233 XBRUBNWFQFQHMX-XMSQKQJNSA-N 429.634 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CC(c2ccccc2)C1 1749144236 UTBDNNWCKFLJPY-KXUMESBHSA-N 438.616 4.915 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC=C(Br)C1 1749218208 HVZTYZPIEAXIFT-UHFFFAOYSA-N 431.378 4.589 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1)c1ccccc1 1749246161 HIWLCKWDSGTTLQ-YKSBVNFPSA-N 431.584 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)C1 1749353911 DGFQRJCCJAPEKB-HXUWFJFHSA-N 430.556 4.522 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1749392952 FVZVPDDGECFBNE-SFTDATJTSA-N 426.561 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCSC1 1749548410 CQVUBEQHAUEDLV-OAQYLSRUSA-N 447.029 4.721 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@](C)(O)c1cc(C)oc1C 1749579489 RQYJIGMXJIIRDX-SANMLTNESA-N 445.567 4.577 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCSC2(C)C)C1 1749696102 PYCDAGJFUZJQPL-PKOBYXMFSA-N 433.021 4.912 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 1749758286 NDLXPFBDRAJKFN-KRWDZBQOSA-N 440.535 4.575 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(c2nccs2)CC1 1749758415 QXLVAVCBQHGLMJ-UHFFFAOYSA-N 439.654 4.937 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCCNC(=O)OC(C)(C)C 1760099068 CAXKHOHBBPFVEG-FPOVZHCZSA-N 439.604 4.583 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cccnc1OCCCC 1760111096 KAJFCJAOSTYYLC-GOSISDBHSA-N 428.540 4.507 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1CCC(F)(F)CC1 1760164573 VTVYUXHYLMFNLT-QGZVFWFLSA-N 432.515 4.712 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccccc1C 1760197536 ZXGKTJMBDRWURK-IBGZPJMESA-N 444.604 4.592 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1760273612 AAXQOIMIBYAFPK-HZPDHXFCSA-N 433.419 4.556 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1760347341 SBZRFGAAUYRCNA-LJQANCHMSA-N 437.613 4.879 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCCCC2(F)F)CC1 1760384673 CDUUZTAOABFRPB-QGZVFWFLSA-N 432.515 4.944 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1760387293 KFDGMTBRIXXDQS-IBGZPJMESA-N 436.478 4.666 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1760393117 JHFMWVPAFOETTR-QFIPXVFZSA-N 441.595 4.663 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H]2CCCCO2)CC1 1760396994 MLBIOIVKCXVYKG-AZUAARDMSA-N 428.552 4.919 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nccs1)c1ccccc1 1760420141 JPJYFIIDPYPEIL-NRFANRHFSA-N 447.612 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N[C@H](C)CC 1760454933 USYCMXUPXQALHV-CQSZACIVSA-N 431.993 4.740 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)CC 1760486900 CYSRJSSUHBGOFX-JOCHJYFZSA-N 432.540 4.562 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2C1 1760568447 JFHTVZBJBOGBQB-NHCUHLMSSA-N 426.630 4.679 30 10 IJEE COC1CCC(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1770565839 AKDPYFWPTYFWPV-NZBFNNPHSA-N 431.943 4.636 30 10 IJEE COCCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@](F)(C#N)C1 1770966870 DLWCROGEVKSSLM-WAIKUNEKSA-N 445.608 4.636 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)c1 1862431392 GJBPVLMRQACVCQ-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 1862474634 QQDJNEPUHCWPHY-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CCCCC2)cc1 1862479516 JIEHFKWIEDYYHB-JOCHJYFZSA-N 433.504 4.693 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2F)cc1 1862556327 UAXDRIZCOWGNCQ-IQMFZBJNSA-N 446.478 4.756 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862597771 OWYLNDHGFLGPOU-XMMPIXPASA-N 443.499 4.612 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862600468 UGJCBBNEULWMEY-LJQANCHMSA-N 445.899 4.528 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862663872 COBZWUHJAQTXAA-ISKFKSNPSA-N 448.563 4.633 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2F)cc1 1862688743 ZRPXLOVNVJFMIZ-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862693362 JKPXALRLPUCRBA-IBGZPJMESA-N 444.871 4.635 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@@H]2c2cccc(O)c2)c1 1862698440 HNNITYAJJIETFW-HSZRJFAPSA-N 433.504 4.870 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(C)cc3)C2=O)cc1 1863269899 YSJLQDKTDQNBJK-SFHVURJKSA-N 437.499 4.829 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2cccs2)C1=O 1863808883 WBPBBODRCXPKOS-UHFFFAOYSA-N 428.602 4.524 30 10 IJEE CCc1ccc(-c2nc(CC(=O)N[C@@](C)(CC)C(=O)Nc3cccc(C#N)c3)c(C)o2)cc1 1867180398 LVRLUWSSJNHKJP-SANMLTNESA-N 444.535 4.550 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN(CC)CC 1870500315 GFBKQPZXMXXYEV-UHFFFAOYSA-N 447.664 4.832 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCCC[C@H]3C)CO4)C2=O)cc1 1871350361 BVRCHTGORNZQCH-FCXSKUKRSA-N 433.504 4.820 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CCCC 1871848787 MFIRHGOZPCWNFD-QFIPXVFZSA-N 430.570 4.814 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872152002 RWKCONTUEBIPER-MBSDFSHPSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872549644 VUUDJLATNXNIRX-DYESRHJHSA-N 434.627 4.985 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1 1872764538 PKCHCAIWWRTDGM-OFCRBKOVSA-N 448.500 4.642 30 10 IJEE CCCCOc1ccc(N2CC(=O)C(c3nc4c(s3)CCc3ccccc3-4)=C2N)cc1 1873527627 IUOXOYODUWTHBX-UHFFFAOYSA-N 431.561 4.804 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccc[nH]2)cc1 1874305575 FACGYBSTBXQXNV-CVKSISIWSA-N 435.528 4.714 30 10 IJEE CCCOc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)OCC(C)C)c1 1874440566 IHVBCFKLMFXWBF-ZVHZXABRSA-N 446.617 4.829 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2)cc1C 1874464640 UTBPNAZHGXRMAR-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE C=C(C)CSc1nnc(CC)n1/N=C/c1cc(Br)c(OCC)c(OC)c1 1874527124 XOLPGCWDURVISM-KEBDBYFISA-N 439.379 4.561 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CC(C)(C)C)ccc1OCc1ccccc1F 1874560045 DFBFSEGSRYYDHD-ZMOGYAJESA-N 428.533 4.764 30 10 IJEE NC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(Cl)ccc1Cl 1874591659 VZDCKRZOZKOSQB-ORCRQEGFSA-N 429.097 4.516 30 10 IJEE O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1874620925 AEZCOLWWRKFGAY-FPYGCLRLSA-N 448.387 4.707 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c(OC)c2)cc1 1875115006 IAMRULZLYNGOSQ-RIYZIHGNSA-N 432.472 4.757 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2OC)cc1 1875147693 GVSDHNSLHPTIFS-XCVCLJGOSA-N 446.455 4.590 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)cc1F 1875152690 HGZSDEUSLQCNPW-VMPITWQZSA-N 439.370 4.997 30 10 IJEE FC(F)[C@H]1CCSC(=Nc2ccc(Cl)c(I)c2Cl)N1 1918574664 BYZRVRPESNDUAN-SSDOTTSWSA-N 437.080 4.946 30 10 IJEE C=CCC1(NCc2cc(Br)ccc2OC)CCN(C(=O)OC(C)(C)C)CC1 1924552263 RRUHCPVCXBVSAS-UHFFFAOYSA-N 439.394 4.893 30 10 IJEE N#Cc1ccc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1952788376 IKLJNXWUKLLYDJ-UKILVPOCSA-N 438.483 4.955 30 10 IJEE CCOc1ccccc1N=C1SCCN1C(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1 2053574869 OHBIUCBWZYSICA-UHFFFAOYSA-N 431.901 4.923 30 10 IJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2054187514 CKTIQHCMVSOYIQ-PUHATCMVSA-N 441.616 4.579 30 10 IJEE CCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(I)c1C(F)F 2079724077 IZWSEOAYSLQUMH-UHFFFAOYSA-N 438.084 4.672 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1Br)NCC 2102878592 SKZUUMDUBDWCMZ-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE Cc1ccnc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2116079301 QEQYMBPZGKADEH-IRLDBZIGSA-N 436.405 4.509 30 10 IJEE CCN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2118192822 SUXGEJYVTJMPQM-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 2145543795 JURVNYPTCBKJMP-SJORKVTESA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(c3cc(Br)c(C#N)cc3F)C[C@]2(C)C1 2174811558 ZHDOIORYGXWJEP-WOJBJXKFSA-N 438.341 4.543 30 10 IJEE CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)c(C#N)cc1F 2174813066 RLVPOLOJWWWNLC-AWEZNQCLSA-N 440.357 4.933 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@H](N)CC#CC2CCCCC2)C1 2248463094 LVFAEGWLGWLFLZ-HSZRJFAPSA-N 426.601 4.741 30 10 IJEE C=CCCC1(C(=O)NCc2sc(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2266280351 BYNOKVLNAGOUBO-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE CC1(C)OB([C@H]2C[C@@H](C(=O)NC3C[C@@H]4CCC[C@H](C3)N4Cc3ccccc3)C2)OC1(C)C 2267122047 GLVLOMLAAYEQKS-ZRAZRIIESA-N 438.421 4.561 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(Br)cc(C#N)c2)[C@@H](C(F)(F)F)C1 2281178932 OQFGCFDARILXOX-DZGCQCFKSA-N 448.283 4.745 30 10 IJEE COc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)S2)cc1 2294746224 RPGWYEKDABJOHB-UHFFFAOYSA-N 447.516 4.723 30 10 IJEE O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)C1=C(O)c1ccc(Cl)cc1 2296116251 WOPTWPFWTIOJOD-KXBFYZLASA-N 432.303 4.594 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2296218593 FYOYPHBSUSJRAJ-OALUTQOASA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296219243 MFYGEBFNPOYUKG-MOPGFXCFSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@@H]21 2296232842 QTJCHBMDNBOTQB-BTHPGYMESA-N 434.374 4.730 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2296308161 DSEPVRGPCRNZSU-ICSRJNTNSA-N 437.422 4.966 30 10 IJEE CCCCCCCN1C(=O)C(=Cc2c(NCC)nc3ccc(C)cn3c2=O)SC1=S 2296543631 SWOQAHCZHVUFIM-UHFFFAOYSA-N 444.626 4.606 30 10 IJEE CCOC(=O)c1ccc(N=C2SC(=Cc3ccc(OCC)c(OC)c3)C(=O)N2C)cc1 2297461877 HMVSIQGQZMLRNC-UHFFFAOYSA-N 440.521 4.504 30 10 IJEE C=CCC1(NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CCN(C(=O)OC(C)(C)C)CC1 2299205614 DVURWCQRADIEQC-SFHVURJKSA-N 437.625 4.567 30 10 IJEE Cc1cc(C#N)cc(Sc2cc(I)ccc2Br)n1 2316387375 NOSOAUQMCPKGDN-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE Cc1nn(C)c(C)c1C=Nn1c(SCc2ccc(Br)cc2)nnc1C(C)C 2321836082 NKRVOGCYEAIYGG-UHFFFAOYSA-N 447.406 4.689 30 10 IJEE Cc1c(OC(=O)c2ccc(Br)cc2)ccc2c1OC(=Cc1cccnc1)C2=O 2322708269 BNUBLWWRGBDHJD-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COC(=O)COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1Br 2324366328 QXALKTPGEGOQSC-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COC(=O)COc1c(Br)cc(C=CC(=O)c2ccc(C)c(C)c2)cc1OC 2324452567 XARQZBDYUUHASF-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COc1ccccc1C=Nn1c(CCc2cccc3ccccc23)nnc1SCCCO 2326618136 NUEHRKLPOPHZSI-UHFFFAOYSA-N 446.576 4.582 30 10 IJEE CCCCC1CCC(c2nnc(SCC(N)=O)n2N=Cc2c[nH]c3ccccc23)CC1 2328145335 FPTMVLYDUPOVRY-UHFFFAOYSA-N 438.601 4.683 30 10 IJEE CCCCOc1ccc(C=Nn2c(COc3ccccc3OC)nnc2SC)cc1 2328218865 OZOFTWPJUQOYMV-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1N=Cc1c[nH]c2ccccc12)Nc1ccccc1 2331168082 YEMDARVUPSPAKD-UHFFFAOYSA-N 442.504 4.632 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1 2331196922 IGQFWWNJSHSALF-OAQYLSRUSA-N 445.309 4.828 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C(C)C)c1 2331703644 HTNNZRTYGGEKSH-UHFFFAOYSA-N 443.617 4.614 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339595678 KPKFBEKJZUGALS-CONOYDDESA-N 443.397 4.830 30 10 IJEE CC1(C)OB(c2ccnc(NCc3sc(Cl)cc3Br)c2F)OC1(C)C 2343919801 SVQVMMOXSVSKJI-UHFFFAOYSA-N 447.566 4.609 30 10 IJEE CC1(C)OB(c2ccc(CSCCCOCC3CC3)cc2Br)OC1(C)C 2377292677 CQKGUVYZNXZDFA-UHFFFAOYSA-N 441.240 4.798 30 10 IJEE C=CCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)/C=C/c2ccccc2)c1 37601413 LBSUGQLBDZMINV-DTQAZKPQSA-N 428.507 4.917 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(c2ccc(Br)cc2)CCC1 62898095 VLLFOGGBRAFGBF-UHFFFAOYSA-N 429.314 4.994 30 10 IJEE COc1cc(/C=C/C(=O)N(C)c2ccc(Br)cc2Cl)ccc1OCC#N 72023818 XSNQIEIOBUIJMQ-XBXARRHUSA-N 435.705 4.690 30 10 IJEE C=CCSC1=N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccc(OCC)cc1 96448888 ORPGRQSONMGYHU-PTGBLXJZSA-N 449.576 4.585 30 10 IJEE CCOc1cc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)ccc1OCc1cc(C)ccc1C 169896520 NDCPSPDUJOQMKT-WGARJPEWSA-N 434.540 4.934 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2[C@H]2CCCO2)ccc1OCc1cccc(Cl)c1 169913106 MMNNEOXPCOEIBL-OMMIQNFISA-N 444.944 4.542 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(F)cc1 169940650 IPEDDPDBSIIEOP-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(O)cc2)c(C)c1 169963141 MODWDJIOMSNQHK-DEOSSOPVSA-N 441.483 4.727 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccnc2)c1 170012899 PIVDTEPCXNKUMN-VWLOTQADSA-N 426.516 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1OC 170131967 MMOKJSONNCUNDP-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1cccc(C)c1 170142511 IAZLZAASHWJFTO-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccc2)s1 170223258 NGAIKFKSCGDYHC-SFHVURJKSA-N 426.444 4.821 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1 170227570 OGHSFZGHMTWOPN-GYCJOSAFSA-N 441.483 4.802 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265831 ITIHPIAZFKUAFI-NOZRDPDXSA-N 445.559 4.885 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1sccc1C 170314975 BXQWILLUPYFFPA-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@@H]1c1cccnc1 170481702 PPOLMVDMLGZOGZ-MRXNPFEDSA-N 431.876 4.609 30 10 IJEE CCc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 204219328 OPDNBHJDLQUBGZ-UHFFFAOYSA-N 448.369 4.620 30 10 IJEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)Nc1ncccc1OCCCC#N 209646191 ROZFBGLQOYQZAE-QXMHVHEDSA-N 449.942 4.931 30 10 IJEE CN(C)c1ccc(/C=N/N=C2/S/C(=C/c3ccccc3F)C(=O)N2Cc2ccco2)cc1 210656266 YFRRKBYYPKONDT-AQNGZRBHSA-N 448.523 4.991 30 10 IJEE O=C1C(=NNc2cccc3ccccc23)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 254736320 LSIXNZICWVWZFV-UHFFFAOYSA-N 435.443 4.967 30 10 IJEE N#Cc1cc(F)c(Nc2cc(I)ccc2Br)c(F)c1 311761217 VCMQVFRHVJZFAA-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc1F 437464938 CYMSANOPXNPIRZ-PMACEKPBSA-N 435.499 4.857 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(COC2CCOCC2)c1 478019597 MQTBRRRFHZLDOC-UHFFFAOYSA-N 434.989 4.995 30 10 IJEE N#C[C@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(Br)cc1 499407825 MUHAGAVWFBXGNR-SFHVURJKSA-N 439.313 4.614 30 10 IJEE C=CCN(C(=O)CCOc1ccc(Cl)c(Cl)c1)c1nc(C(=O)OCC)cs1 501938912 BULRDIQMKGLBCB-UHFFFAOYSA-N 429.325 4.615 30 10 IJEE C=CCCc1ccccc1NC(=O)NC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1 505036259 UWLLZUNZNPNBQW-UHFFFAOYSA-N 437.540 4.895 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(Cl)c(Cl)c2)o1 526830016 LMUUUHNYLQLOGH-NKVSQWTQSA-N 439.324 4.838 30 10 IJEE COc1ccc(-c2nc(CN(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)no2)cc1 533028468 PWIISIUEAYBDED-UHFFFAOYSA-N 428.467 4.958 30 10 IJEE C=CCN(Cc1ccc(C(=O)OCCC)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586142738 RPBLGUGELCCJLI-UHFFFAOYSA-N 429.582 4.928 30 10 IJEE COCCN(C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C)c1ccc(C#N)cc1 610209114 FWCCWPDFCWGRLM-UHFFFAOYSA-N 436.943 4.545 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 670205971 GOLHVUXBAUXXGU-FQEVSTJZSA-N 437.617 4.505 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CCc2cccs2)C(=S)N[C@@H]1c1cscn1 731428872 BWZCKUXOERZXDG-LJQANCHMSA-N 443.594 4.818 30 10 IJEE C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1=S 732186532 JHBSSPNZQRZZDJ-HXUWFJFHSA-N 446.064 4.729 30 10 IJEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 787063013 VLOOASVLZCFSBC-NRFANRHFSA-N 449.850 4.679 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1=S 797418411 SIVXCTCYPSQVJK-HYFFOGBASA-N 449.020 4.536 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1ccccc1OC 1084472159 GEPJESOXCXAUMY-GOSISDBHSA-N 431.945 4.637 30 10 IJEE C[C@H](Oc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1)C(=O)O 1084613174 VBXAYTXBHNGJLZ-MDKXCRPYSA-N 437.304 4.737 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3s2)[C@H](C#N)C1 1126947876 GBOSGWUTLGLSLY-CQSZACIVSA-N 439.459 4.505 30 10 IJEE C[C@H](NC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1127890339 APJKGNQPOGJNRL-AFMDSPMNSA-N 443.522 4.615 30 10 IJEE C=CC[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)OC)c1)c1ccc(Cl)c(Cl)c1 1128330733 RSBCJKPHBFOQNE-GOSISDBHSA-N 444.336 4.650 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cn1nc(C(F)F)cc1C(F)F 1129702265 CDWRRQHHGPZGGX-UHFFFAOYSA-N 436.203 4.724 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC3(c4ccc(Cl)c(Cl)c4)CC3)ccc2c1=O 1138944230 WAZAXKFPHGALKK-UHFFFAOYSA-N 446.359 4.597 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1139967708 WYGMCIYEORIQMM-NRFANRHFSA-N 426.582 4.670 30 10 IJEE C=CCc1cc(C(=O)NCCc2c[nH]c3cccc(Br)c23)cc(OC)c1OC 1141771211 SQYVGAGTOHAQNI-UHFFFAOYSA-N 443.341 4.649 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@](C)(Cc3ccccc3)c3ccccc3)n[nH]2)c1C 1142206590 CSTMPVMQQQEUOR-HHHXNRCGSA-N 439.563 4.964 30 10 IJEE C=CCCC[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1152374290 LIEXHBUPARSPTH-PBHICJAKSA-N 425.367 4.876 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)c1ccc(F)c(F)c1 1154674942 KNVBEKHXPAHVCA-FQEVSTJZSA-N 433.499 4.684 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(O)cc(Br)c1 1161336058 KPFPLDIFEIIOGW-UHFFFAOYSA-N 427.092 4.734 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 1184410732 LZJJMHMGRKYZEL-KOSHJBKYSA-N 432.992 4.869 30 10 IJEE C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(OCc2ccc(F)cc2)cc1 1186556855 HVGRBTIUQKGVPA-SFHVURJKSA-N 430.545 4.859 30 10 IJEE C=CCN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1193412899 IWPUPOLPHDMZJD-HXUWFJFHSA-N 435.351 4.594 30 10 IJEE C=CCCSCCNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 1229159634 XWTWOZZSDLGVRS-NRFANRHFSA-N 432.973 4.809 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(C(=O)N(CC)Cc3ccccc3)c2)C1 1254609465 YDMCNVWWKFEVKD-HXUWFJFHSA-N 441.959 4.811 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1264399253 SZHBHDWDEILRES-UHFFFAOYSA-N 434.561 4.649 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2(C3CC3)CC2)ccc1Cl 1266446185 KNAQSKPSSKMLEK-UHFFFAOYSA-N 444.984 4.641 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(=C)Br 1286302393 SYVYNAJEBZEESI-QGZVFWFLSA-N 431.378 4.655 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CCC)C1 1286357683 ZESRBCACQKEIFK-QGZVFWFLSA-N 437.371 4.583 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(COC)CCCCC1 1286378891 ZRTYJTHOQWZFGM-UHFFFAOYSA-N 438.616 4.955 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1csc(C)n1 1286421514 YJTPKJVRUZXLFQ-HXUWFJFHSA-N 447.608 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)C(C)(C)C1 1286554956 ZUUVQWHBNKIVTL-QRFRQXIXSA-N 429.996 4.847 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286623328 FUTWDRZGRMHTSN-CYBMUJFWSA-N 446.727 4.660 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(C)(F)F)cc2)CC1 1286633343 HCNOSNKLFBXDLV-UHFFFAOYSA-N 431.531 4.513 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N(C)c2ccccc2)CC1 1286650962 NDHDEGNBKSQWMK-YMPZKCBVSA-N 437.632 4.878 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CC1 1286681656 QJHWCUCTGYOCGD-UHFFFAOYSA-N 437.357 4.554 30 10 IJEE C=CCCCn1c(N2CCc3c(F)cc(F)cc3[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286706002 LIAJFHAKRHUFFD-MZNJEOGPSA-N 446.542 4.687 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)c1ccc(F)cc1 1286718337 GCHBZUYMNXDCDO-FYSMJZIKSA-N 440.588 4.800 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286799364 UKNYKTQBBYTWKX-OAQYLSRUSA-N 447.583 4.533 30 10 IJEE C=CCc1ccc(OCC(=O)N(c2ccc(Cl)cc2C)[C@@H]2CCO[C@@H]2C)c(OC)c1 1288051802 VJORKWYXKUHCDH-DYESRHJHSA-N 429.944 4.975 30 10 IJEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1 1293807487 AAKMXUYQIKGMIM-NRFANRHFSA-N 435.494 4.537 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1300340383 YPKISIAYHMKINF-FQEVSTJZSA-N 441.595 4.671 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1300384087 KYRXNJHQVJLEHU-GBESFXJTSA-N 428.602 4.560 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCCC(F)(F)F 1300547361 KPFQQRUATXGIEN-UHFFFAOYSA-N 426.895 4.639 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C1CCCCC1)N(C)C 1300563828 OFRXCOUKYOAHAZ-HSZRJFAPSA-N 443.595 4.665 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1300600684 AGSJLXKKCJVBJG-NYDSKATKSA-N 430.980 4.879 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1300601524 IZGPSYBJAVHGOV-VQTJNVASSA-N 441.595 4.527 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1300617301 XOCMUCGSONVSQB-UHFFFAOYSA-N 439.604 4.797 30 10 IJEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1300770766 YCOISLKGQNKWKE-IBGZPJMESA-N 437.613 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCCCC1 1300873524 HFONNVRLUNPJQA-UTKZUKDTSA-N 430.980 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1cccc(O)c1 1301149656 CZMYFCWQSDNVIC-INIZCTEOSA-N 437.544 4.511 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1301164066 PXVUTDNSQCQCHD-JOCHJYFZSA-N 430.556 4.966 30 10 IJEE C=CCOc1ccc(C(=O)N(C)[C@H](C(=O)OC)c2cccc(Cl)c2Cl)cc1OC 1301350591 QKQKQURMVGDKIS-IBGZPJMESA-N 438.307 4.553 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CC1(COC)CCCCC1 1301351047 HMHXSGJPODKLPV-NRFANRHFSA-N 442.579 4.711 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1301541844 FBLMIOBCEPXZTF-SFTDATJTSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(C)=C(Br)C1 1301603853 HFNPLXZIHPAIGE-UHFFFAOYSA-N 449.418 4.752 30 10 IJEE CCN(C[C@@H](C)C#N)C(=O)CN[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1307626211 HLTBQTVXLQAQRT-FDDCHVKYSA-N 442.401 4.505 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1cc(Cl)ccc1F 1309604073 FZUQPUZZJXKPQW-LBPRGKRZSA-N 434.842 4.742 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1318160785 MBJKOJILPKMURR-UHFFFAOYSA-N 441.965 4.966 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1)c1nc(-c2ccccc2)cs1 1351451015 OEICBHGRZMFUSX-IBGZPJMESA-N 447.560 4.781 30 10 IJEE C=CC[C@@]1(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1353283678 JRPPNYYHHAOJDQ-VWLOTQADSA-N 430.589 4.825 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1358935964 YMOXGTQZQYTGJB-LEWJYISDSA-N 426.630 4.932 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cccnc1OC1CCCC1 1358953991 QZJNQQHQKWQKTM-UHFFFAOYSA-N 447.608 4.713 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC[C@@H]1CC 1359021465 PPFRHFWEXIJJOG-ZWKOTPCHSA-N 430.980 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359068069 MUMLDMYPOIKGIZ-BVFVYWQFSA-N 437.607 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC)nc1 1359107570 POVPJJITMYPJGP-HXUWFJFHSA-N 435.572 4.889 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1359175507 OMHAVEFOVYJPMY-SFTDATJTSA-N 437.632 4.724 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccco2)C1 1359184576 SQSXSKWLNHOIMY-HXUWFJFHSA-N 437.500 4.627 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOc1ccc(Cl)cn1 1359233146 TUMQYWFBGWJJLG-UHFFFAOYSA-N 434.931 4.551 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1OC 1359262263 NLFBKAFXUPDMBY-IFMALSPDSA-N 433.581 4.886 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1Cc1sc(C)nc1C 1359275409 SXTCGBAPRZANGJ-UHFFFAOYSA-N 432.597 4.640 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1360321072 CPAKARWNFVKDBO-FDDCHVKYSA-N 444.934 4.658 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c1 1361103427 AFSBNCVKQVISQK-QFIPXVFZSA-N 428.557 4.620 30 10 IJEE O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1cc(OC(F)F)cc(OC(F)F)c1 1437100722 BRBJGHGWGSYILB-UHFFFAOYSA-N 435.683 4.554 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1nc2ccc(Br)cn2c1F 1463572897 IFIMLYYRPPZBOK-UHFFFAOYSA-N 428.714 4.779 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1cccc(F)c1 1467827248 FIZJSWYJYZTBOB-UHFFFAOYSA-N 425.273 4.504 30 10 IJEE C#CCN(C(=O)NCCc1coc(-c2ccc(OC)cc2)n1)[C@@H]1CCCc2ccccc21 1468459801 MGOKPESDQPDDOE-XMMPIXPASA-N 429.520 4.615 30 10 IJEE C#CCOc1ccc(CNC(=O)NCCc2ccc(Oc3ccc(OC)cc3)cc2)cc1 1469442100 SULOKRHHMOHRAC-UHFFFAOYSA-N 430.504 4.541 30 10 IJEE C=CCn1c(Sc2nc(C(=O)OCC)cc(C(C)C)n2)nnc1-c1ccccc1F 1472647591 SXTGVWASNLRNLZ-UHFFFAOYSA-N 427.505 4.512 30 10 IJEE C=CCn1c(SC[C@H](OC)[C@H]2CCOC2)nc2scc(-c3cccs3)c2c1=O 1472917554 ITWLZWGKOIFLKS-ZFWWWQNUSA-N 434.608 4.516 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)c1 1474922297 AFVUJWXMLGTAMC-UHFFFAOYSA-N 445.949 4.565 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cc(OC)c1OC 1477657589 JLMCPGCYWARHND-LJQANCHMSA-N 430.932 4.799 30 10 IJEE C#C[C@H](NC(=O)N(CCOCC)[C@H]1CCc2ccccc21)c1ccc(Br)cc1 1478897165 VREVXIRVAKLUBM-VXKWHMMOSA-N 441.369 4.859 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](OC)C(C)(C)C 1507663052 QWJBPKLCYZUBGA-XMSQKQJNSA-N 438.641 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C)CCCC 1507763950 HZWUXLHWFLDGKR-ATIYNZHBSA-N 437.632 4.759 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)S[C@H](C)C1 1507828639 KOJLLKSJUGAELJ-BETUJISGSA-N 425.371 4.753 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507877212 CPARLHGHXMEQRE-NRFANRHFSA-N 445.558 4.823 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 1507903633 SZRYDNPCGDBJFX-QHCPKHFHSA-N 437.632 4.725 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCc1cccc(C)n1 1507999154 LSAWGJFVNLBZLP-UHFFFAOYSA-N 426.568 4.946 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@H](C)C1 1508014010 UMXNOAJFLATZNZ-SJORKVTESA-N 431.378 4.701 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CCC(C)CC1 1508161386 LNZTVLKCBPRXAZ-NGICGMGXSA-N 428.602 4.725 30 10 IJEE C#Cc1cncc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)c1 1515767020 NAGXYIYLFSHRIC-XMMPIXPASA-N 429.589 4.777 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)cc1OC 1518623470 OXRPZFFLKKEZHR-OWBHPGMISA-N 431.536 4.899 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(F)(F)F)CC1 1521142879 ADZKJXXCHKCBOV-UHFFFAOYSA-N 445.445 4.809 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2cc3cccc(OCC)c3o2)CCCN1C(=O)OC(C)(C)C 1523304681 YLLKJHVOCGAYKX-NSYGIPOTSA-N 440.540 4.802 30 10 IJEE C#CCOc1cccc(OC(=O)CCc2cc(Br)c(Br)s2)c1 1530391822 NMZOLKRTZXKNAE-UHFFFAOYSA-N 444.144 4.823 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c1 1530984409 FYYSFTQBWPLMMQ-QHCPKHFHSA-N 429.495 4.675 30 10 IJEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 1531526436 ANEDITPHJPGFLI-UHFFFAOYSA-N 431.402 4.521 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1OC 1533493043 QBYRARZWXIJINY-PKNBQFBNSA-N 443.521 4.661 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)CCSc1ccnc2cc(Cl)ccc12 1537075047 GOJYCDJSVMPTDH-UHFFFAOYSA-N 439.968 4.917 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3ccc(C(=O)OCC)cc3s2)cc1OC 1537264433 FVRYXFRKHUZLJG-YRNVUSSQSA-N 438.505 4.698 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1539096003 OTXWDBIWMSLOGZ-PXNSSMCTSA-N 435.597 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H](OC)C(C)(C)C 1539549843 VOQONOPKJKBXLJ-PGRDOPGGSA-N 445.405 4.761 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1539734787 FBNBZSVPHCNRSR-UGKGYDQZSA-N 426.605 4.839 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1539785914 GKFIATXUKYWBAS-UHFFFAOYSA-N 445.310 4.823 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(C)CCCc1ccccn1 1539790459 JDZCHKVOSCFRNO-UHFFFAOYSA-N 446.780 4.924 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1539847353 DMWIALPBXTXDPI-UHFFFAOYSA-N 425.646 4.625 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539859824 WHPZQPUAVMSKKF-MJGOQNOKSA-N 433.021 4.931 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(C(C)C)CC1 1539963219 OQKIANHSPOWYQI-UHFFFAOYSA-N 434.588 4.877 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1Cc1ccc(N2CCCCCC2)nc1 1540086796 BORZKFYBAJSFSK-UHFFFAOYSA-N 446.599 4.611 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC=CCC1 1540147388 LABKFPUFQFQHGG-DYXWJJEUSA-N 428.602 4.613 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1540168119 JIEGPAJKIAILCN-FQEVSTJZSA-N 449.530 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1540171991 MAEVSIOSIJVMDD-QPPBQGQZSA-N 448.640 4.587 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(Cc1cccs1)Cc1cccs1 1540861805 HCQYOSIPEJZRSM-LPHOPBHVSA-N 430.599 4.518 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@H](SC)C2)cc1 1540878555 ANBUVHFIHGHTPV-QHCPKHFHSA-N 449.624 4.599 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1540915346 KCSQOUOLCONPPT-VXKWHMMOSA-N 441.645 4.544 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3sc(-c4ccccc4)nc3C)n[nH]2)c1C 1543771996 XYIBBSMCVBRTBO-HNNXBMFYSA-N 446.580 4.999 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)cc1 1544088386 YTRSCKDSBZASTN-SFHVURJKSA-N 434.561 4.670 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CCC#N)CCOC 1546636875 BZIMOGNMNABZLV-FPOVZHCZSA-N 432.572 4.686 30 10 IJEE CCN1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CCC(C)C 1547673876 GOSDPTYBXAAVLM-LJQANCHMSA-N 429.012 4.849 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 1556660494 RBDJLJMHNCAQON-UHFFFAOYSA-N 427.529 4.797 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1557887923 QTSXMHHUZMBPKX-JOCHJYFZSA-N 425.573 4.960 30 10 IJEE C#CCN(C(=O)/C=C\c1ccsc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1558371080 WYRHEYNCEUEEOX-SREVYHEPSA-N 442.503 4.641 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1C)c1ccc(Cl)cc1 1561629684 XMLKUBDOGUCVHP-OAHLLOKOSA-N 433.154 4.717 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)cc2n1 1563300811 VEOGPVHLVFTTBK-KRWDZBQOSA-N 445.445 4.521 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(Br)ccc1Br 1584094704 HIRXVGSDXQHKJX-KRWDZBQOSA-N 434.131 4.891 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 1584315041 IRRNZXIKKHYOBJ-LIRRHRJNSA-N 430.335 4.717 30 10 IJEE C#CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@H](C)C2 1585813982 WYQORUIFBCGNLE-UQNFDQQLSA-N 435.527 4.965 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)C(F)(F)F)cc1 1587315618 SOCIBJIWAZREAJ-OAQYLSRUSA-N 429.438 4.935 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(Cl)s1 1587598617 CXPQOLJUQKJBGY-CQSZACIVSA-N 430.961 4.574 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1587777534 IQUXZKZVAGZIRN-XLIONFOSSA-N 426.611 4.762 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1CCc1csc(C(C)(C)C)n1 1588159413 WDHVSGIDKMJQNN-UHFFFAOYSA-N 445.636 4.523 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCC1 1589503009 BFMGTZVTUWHKKW-APWZRJJASA-N 431.378 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)[C@H](C)Cc1ccccc1OC 1589548011 XMHQOSTZXUBKDG-IZIIKQMZSA-N 426.605 4.534 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1594478879 ZOXVCAJDKGIGRL-QFIPXVFZSA-N 447.631 4.981 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](COC)C1 1594573180 PIVPFMHYSZWVNO-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1594608086 DZLHMPSJVSCGOA-QPHCHLROSA-N 437.613 4.940 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)c1ccsc1)C1CC1 1595037367 BIHFXBXFNZTMQI-OAQYLSRUSA-N 432.952 4.862 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1N(C)CCCC1(C)C 1595185038 LBWBLGXMCCJFFD-FQEVSTJZSA-N 445.558 4.845 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@H]1C 1595243784 FEPMLLLYZVFECK-KOSHJBKYSA-N 440.975 4.978 30 10 IJEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1cccs1 1595890013 GHGBMUWMBDPFFU-KRWDZBQOSA-N 438.626 4.695 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC(C)(C)C[C@H]2C)c1 1597630591 DNRCTVHPHCPZHF-QGZVFWFLSA-N 447.000 4.982 30 10 IJEE C#C[C@@H](Nc1ncnc2cc(I)sc12)c1ccc(Cl)cc1 1612454674 ZPUYBWUSTQIMDA-LLVKDONJSA-N 425.682 4.736 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1615344543 FGIWVMZLCJORAV-KZNAEPCWSA-N 428.650 4.600 30 10 IJEE C=CCOc1c(Br)cc(CNc2nc3c(OC)cccc3n2C)cc1OCC 1621051435 DQLMKUBYGZLZSQ-UHFFFAOYSA-N 446.345 4.920 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 1622859100 POEBKRVNPVZLGH-UHFFFAOYSA-N 428.488 4.729 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCC 1623863963 UULZSTSUXVMNKT-HNNXBMFYSA-N 428.451 4.739 30 10 IJEE CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(=O)NCc1cccs1 1624023554 CCBZUIVQTTXCMJ-FQEVSTJZSA-N 434.521 4.629 30 10 IJEE C=C[C@@H](C)ONC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 1628287042 LELBUWQYMALDOF-MRXNPFEDSA-N 428.492 4.640 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(F)c(Br)c1)C(C)C 1628517184 LYUSYBUBVIWMHU-KXBFYZLASA-N 426.374 4.647 30 10 IJEE C=CC1(CC(=O)NCC2(c3ccc(F)cc3)CCCCC2)CN(C(=O)OC(C)(C)C)C1 1631097716 SKHFSQQVEFXDQP-UHFFFAOYSA-N 430.564 4.957 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1)C(=O)OCC 1635607493 SPQJYDAXEUQBCK-ZDUSSCGKSA-N 432.851 4.633 30 10 IJEE Cc1ccc(Sc2ccc(N3CCN(C(=O)c4ncc(C#N)cc4C)CC3)cc2)c(C)c1 1635676031 GJEYPWKZLXFUQC-UHFFFAOYSA-N 442.588 4.992 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2ccc(OC)cc2)C1 1636095554 PAWOXFNEZQKDON-IFMALSPDSA-N 430.589 4.726 30 10 IJEE C#CCN(C(=O)NC[C@H](C)CC(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1636253740 ALKWWIAPWKQMGD-IUODEOHRSA-N 433.268 4.506 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 1636631308 LFVOFDPRLWIQFW-IRLDBZIGSA-N 440.584 4.771 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](O)c1ccc(Cl)cc1Cl 1649735393 XVIKSBUGGJUSDE-QGZVFWFLSA-N 429.141 4.591 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)Cn2nc(-c3ccc(Cl)cc3)nc2Cl)cc1C 1653023985 AUUDRXXKVLMONN-UHFFFAOYSA-N 428.323 4.816 30 10 IJEE CC[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1C(F)(F)F 1656675702 DRCQBSOTDBSSNN-LJQANCHMSA-N 443.473 4.825 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H](N2CCCC2=O)CC1 1666307093 FRIBZKGKURWNDL-HXUWFJFHSA-N 432.524 4.668 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)[C@H](CC)C2)cc1 1666389670 LFZKWHBSIOIQGH-RUZDIDTESA-N 446.595 4.629 30 10 IJEE Cc1cccc(S(=O)(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)c1C#N 1667590383 AQUCKFOQMUQNOJ-UHFFFAOYSA-N 426.460 4.541 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 1667790880 KTTNHZXCYXZDFM-QFIPXVFZSA-N 449.551 4.705 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1673789598 FNOXDZSRRUFQJN-UHFFFAOYSA-N 429.505 4.638 30 10 IJEE C#CCN(C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@@H]1CCCc2ccccc21 1674050969 POLDKPILMLZVEE-HXUWFJFHSA-N 447.432 4.549 30 10 IJEE C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1681580405 ATBNCZCUBYSUCK-XUNZJTMSSA-N 436.531 4.589 30 10 IJEE C=CC(C)(C)CNC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1682601027 DPTHMUPMIMTMPZ-LJQANCHMSA-N 443.588 4.791 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1689926557 RUDMKZDDEULGGP-UHFFFAOYSA-N 434.975 4.796 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C1CCC1 1690240391 FOLNCESNTPEZAG-IFXJQAMLSA-N 449.368 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690241433 SDJAPOBXFAFAGU-ZCNNSNEGSA-N 445.489 4.577 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1Cc2ccccc2[C@@H]1C 1690302985 QVTCRTWKHDCNHB-HNNXBMFYSA-N 442.361 4.710 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1690474005 NZJFQBBVUJOHKL-ROUUACIJSA-N 448.409 4.786 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1690555876 GKZRJPQRIAZDEV-NLFFAJNJSA-N 425.621 4.552 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCN1CC 1690577942 OLRONROUXVXDJK-FPOVZHCZSA-N 429.634 4.648 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCC[C@@H]1C 1690580070 YYBPEIINUSPTAD-HTAPYJJXSA-N 428.627 4.736 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(Cc1ccc(F)cc1)C(C)C 1690630006 QZQGXKQGVNDPKC-UHFFFAOYSA-N 432.341 4.786 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1690738357 KPIAPVYQTYDTFM-QFIPXVFZSA-N 435.597 5.000 30 10 IJEE C=CCSCCn1c(COCC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 1690750125 ANYCCHVQZXHIAF-QGZVFWFLSA-N 429.615 4.685 30 10 IJEE CC(C)N(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1692468534 CGJRPRHWQSKNFQ-QFIPXVFZSA-N 432.975 4.598 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1705505626 MHIKRJBKYWKLJG-ONTIZHBOSA-N 426.630 4.932 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(N(CC)CC)CC1 1705537837 SPCICMYBCZHGFY-UHFFFAOYSA-N 425.646 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1ccc(Cl)cc1 1705703603 UYCMDJKZRVRRNZ-GCJKJVERSA-N 432.996 4.626 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705772359 NWEPKGGVIKIBJS-DHIUTWEWSA-N 437.632 4.690 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1705834639 PDUVUFNFWLPBEY-CBQOVEMMSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1705860472 IORNOQRSJXQHMZ-SFTDATJTSA-N 434.632 4.661 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1705870305 FWDWRPNJVWHTPT-IAGOWNOFSA-N 432.515 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC[C@@H]1CCCCO1 1722278677 QHTXAYVPRUTHPG-NSHGMRRFSA-N 430.980 4.879 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722310150 HYVILWPNOOLJIM-PXNSSMCTSA-N 448.354 4.677 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(c2ccccn2)CCC1 1722345915 SRMROLPUKAXHMR-NRFANRHFSA-N 429.568 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1CC(OCC)C1 1722467224 ONCBGNBPPHTPKC-CQZWXNISSA-N 440.563 4.755 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](OC)[C@@H](C)CC)CC1 1722579011 GJAFVENPNOJPFK-CVDCTZTESA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CCOCC1 1722658524 JDRDHRMZLWXODS-UHFFFAOYSA-N 448.615 4.539 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC1(CC)CCC1 1722661211 WVJDMKJQAYJSAB-UHFFFAOYSA-N 436.585 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nc(C2CC2)cs1 1722666536 VUTYHGJXJLBUPB-UHFFFAOYSA-N 445.390 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCO[C@H](C)C1 1740532730 LCDFADFSGXXQHT-YRPNKDGESA-N 445.007 4.961 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 1740592468 YESUBQOYMAZURB-HXUWFJFHSA-N 443.636 4.678 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1740592990 OTLXEDYIDPWUHE-HXUWFJFHSA-N 437.588 4.879 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOCC)CC1 1740633876 WUVKPYRFPORJMA-UHFFFAOYSA-N 436.625 4.555 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC12CCC(CC1)C2 1740665840 SBTXWIQOWCZQNH-UHFFFAOYSA-N 431.353 4.887 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCc1sccc1C 1740679271 RZKIWWUOZWHRDK-UHFFFAOYSA-N 445.567 4.655 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1740780038 DBVLOZPFNIGDSN-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740846012 JHTKPQWAFXSARW-UHFFFAOYSA-N 432.572 4.694 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1740853898 JMYGFCDTGCTKGD-CTNGQTDRSA-N 435.597 4.595 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1740858030 ZXUXQTSNYZEMDG-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](c2ccccc2)C1 1740870785 JZBZSZBSSXMJMW-IBGZPJMESA-N 442.361 4.580 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740887445 HWNXIEDBGHHCAS-DEOSSOPVSA-N 447.023 4.756 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(N(C)C)CCCCC1 1741798288 AIGMYAXRHWDJOW-IBGZPJMESA-N 447.587 4.603 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCC1CC(OC(C)(C)C)C1 1748657763 IWHFJCMLNKRRTB-LWEYNCJUSA-N 431.584 4.935 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCc1sccc1C 1748658374 QRSHQNPISMWSIR-GOSISDBHSA-N 438.597 4.813 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1748775669 PYLRDIKXDYEUHS-MJGOQNOKSA-N 445.405 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](SC)C(C)(C)C 1748868454 XJYUJXJLMCLDTK-NQIIRXRSSA-N 442.604 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1748892632 TXIWAJKMKAJKJX-ILBGXUMGSA-N 445.655 4.630 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1749109286 GUDRCNXCAUWQJA-CALCHBBNSA-N 433.394 4.865 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCOC1 1749257683 XFJJELIHUUCPMK-OAHLLOKOSA-N 439.785 4.631 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1749268630 DLXHVBQRNJEVJC-CQSZACIVSA-N 432.849 4.719 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCc2ccccc2OC(F)F)CC1 1749335808 UVGCMJHYTOLFCQ-UHFFFAOYSA-N 425.483 4.587 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CCCCCC2)CC1 1749346823 BFXNFXKXJNPKDI-UHFFFAOYSA-N 438.616 4.907 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)OC(C)(C)C1 1749414946 KPOUFOQQZVBTKK-AWEZNQCLSA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1ccc(Cl)nc1)C1CC1 1749514961 NKPSUJKIFUOKKC-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCC(F)(F)C1 1749551089 RFOXIVBTHZYXLL-FUHWJXTLSA-N 449.571 4.699 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](c1ccco1)N(C)C 1760106469 LFGWIUDRHIOLLN-KDOFPFPSSA-N 432.355 4.606 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](OCCC)CC1 1760141317 QDDUKEVWZFOYBG-HSZRJFAPSA-N 433.600 4.870 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C)o1 1760317389 FKDWYTGBIQSSPH-XLIONFOSSA-N 427.936 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1C(C)C 1760334991 PPZITHHYNAHOIJ-LEWJYISDSA-N 434.588 4.684 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@@H]2C)CC1 1760382331 ODYUTOWAICOHHA-RBUKOAKNSA-N 429.996 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCOCC(=C)C)CC1 1760398667 HCIUIINGQJQUDY-UHFFFAOYSA-N 437.407 4.764 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN(CC)C(C)C)CC1 1760404555 CQZSXMCFWPAHLB-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCC2(CC1)OCCO2 1760430350 HAVCZRURHDEKHK-NHCUHLMSSA-N 446.636 4.675 30 10 IJEE C=CCCOCCn1c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C 1760453554 ZOSMWVPXOFVXPW-LJQANCHMSA-N 436.959 4.539 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCc2cc(C)ccc21)C(C)C 1760487719 CAQFLKTVTGAFDV-VWLOTQADSA-N 444.627 4.985 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1760507132 JJXWIJCSQGVINX-UHFFFAOYSA-N 440.267 4.877 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@@H](SC)C1 1760569521 QTTNPYXCZIZGSY-HXUWFJFHSA-N 432.659 4.807 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCSC1 1760698149 CSYHYSIRTGRBAS-KBPBESRZSA-N 440.400 4.513 30 10 IJEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)C1 1765381206 FJLNRWAEXDKJML-VXKWHMMOSA-N 448.615 4.528 30 10 IJEE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747033 GYZJGOLBANCLNB-UHFFFAOYSA-N 434.452 4.910 30 10 IJEE C=CCN(CC=C)C(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1860577559 PBQOGYZUSJTQDO-CQSZACIVSA-N 434.323 4.609 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 1862097727 USNDWQORAHFTGT-GOSISDBHSA-N 430.552 4.672 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1862451515 HQVHZQIBBCPFLP-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@@H]2c2ccc(F)cc2)cc1 1862474978 ZXARVJIQFZRRPR-HSZRJFAPSA-N 436.527 4.588 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1[N+](=O)[O-] 1862547474 WDLAGECAWAMZGI-JOCHJYFZSA-N 434.492 4.708 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862625436 GOZXPAKTNSSYLD-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862664519 KUNOBUPILJCZIQ-LADGPHEKSA-N 449.547 4.966 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)OCCO2 1862719803 OZSNKDGHBSMXFK-DEOSSOPVSA-N 443.499 4.845 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(F)c3)C2=O)cc1 1862980784 WCSNRINNTYDCIU-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2cc(Cl)ccc2C)C1=O 1863050295 ATVCQQUNALYIIZ-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1863314484 RNFPEXFBFBSQIL-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)c1 1863477926 JUSHRNUQQSMNOE-UHFFFAOYSA-N 438.512 4.536 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccccc1C 1864994593 UBOCQXIJCQMPOD-JOCHJYFZSA-N 438.616 4.988 30 10 IJEE Cc1ccc([C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 1866958445 WPDUVZAGTHDMGW-CLJLJLNGSA-N 439.559 4.973 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cc3ccccc3n2C)n(-c2cccc(Cl)c2)n1 1870002266 HVGMTFPQANCVGO-UHFFFAOYSA-N 446.942 4.843 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C2=Cc3ccccc3OC2)n(-c2ccccc2Cl)n1 1870003540 CZANOWZYPXWHER-UHFFFAOYSA-N 447.926 4.514 30 10 IJEE Cc1cc(Cl)ccc1-n1nnc(C#N)c1NC(=O)C(c1ccccc1)c1ccccc1 1870139329 KRILDTBHWZHOSA-UHFFFAOYSA-N 427.895 4.871 30 10 IJEE C=CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870810818 TYPRHKHABHSFDM-RUZDIDTESA-N 446.547 4.783 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CNc1cccc(C)c1 1871162441 WRELVQBQDNCCHV-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871390174 JMVFRFBTXIOKKZ-JJFYIABZSA-N 432.403 4.895 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)C[C@H](C)O1 1871395275 MPOJKFAOYIUJMO-JAIZJNAVSA-N 434.319 4.924 30 10 IJEE CCCCCCCCCCN=c1nc(N(C)C)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871621041 FHGGGQFQTFTIAT-UHFFFAOYSA-N 443.596 4.548 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871874228 PGXQELOGRQMCSF-HRAATJIYSA-N 436.524 4.585 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C)S(=O)(=O)c1ccccc1 1872354747 RACOLHNZQQYBBD-LJQANCHMSA-N 440.487 4.545 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872570931 ADJKWUKFJRMBDD-XXBNENTESA-N 428.598 4.842 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1Br)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759261 IPVNHOVKVZFTAV-AWEZNQCLSA-N 428.267 4.971 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4cc[nH]c4c3)n2)c(OC)c1OC 1872787929 BGPWCQWVXSUWRW-MRXNPFEDSA-N 433.489 4.807 30 10 IJEE CCc1sc(C2=C(N)N(c3cc(C)cc(C)c3)CC2=O)nc1-c1ccc(OC)c(OC)c1 1873529996 VLJMJRMBHZDYJQ-UHFFFAOYSA-N 449.576 4.723 30 10 IJEE COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)Nc4cccc(C#N)c4)ccc23)cc1 1873866691 DATBCKFOOGBARD-UHFFFAOYSA-N 440.455 4.666 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(C(=O)OCC)cc3)c(=O)oc2c1 1873951387 ZHKAYQKWSGNZQY-UHFFFAOYSA-N 449.503 4.804 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(SCCCO)n2/N=C/c2ccco2)cc1 1874196224 ZCOMKNYEISLFSB-JJIBRWJFSA-N 442.585 4.537 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(OC)c(OC)c1 1874261635 ZLEYRENGCFFQEO-WYMPLXKRSA-N 448.495 4.537 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccccc1C(=O)O 1874320370 NXCHWOGEIDBIIB-WYMPLXKRSA-N 436.537 4.723 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874321570 YINFFDLASYLSHI-LPYMAVHISA-N 425.514 4.766 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccs1 1874343709 DCRPNTYIXPSTIW-CIAFOILYSA-N 434.974 4.511 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874354972 LBOBKNDPEQVRRL-LPYMAVHISA-N 443.370 4.918 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2C)o1 1874437946 BNZSKBRVIVNLGG-YDZHTSKRSA-N 426.542 4.729 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2)c1 1874493930 LMSNLHBGIMPKLR-DHRITJCHSA-N 437.544 4.915 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccccc1F 1874504457 SGXVZXQSIBNOPE-ZVHZXABRSA-N 425.533 4.545 30 10 IJEE CN(C)c1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(C(C)(C)C)cc2)cc1 1874570723 FXBBHJDFIUVBNL-KOEQRZSOSA-N 437.613 4.824 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccco2)cc1 1874638546 FRTHBLNUTPOVIY-UXBLZVDNSA-N 425.868 4.533 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 1875136068 VSSPCVZXARXRRO-UKTHLTGXSA-N 431.444 4.956 30 10 IJEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(NCCc3ccc(F)cc3)ncnc21 1875228082 YLITYZTWWMHMTQ-HDICACEKSA-N 435.547 4.529 30 10 IJEE COc1ccccc1OCC#CCNC(=O)c1cc(-c2cccs2)nc2ccccc12 1892004794 YANYWJHVVVLJGP-UHFFFAOYSA-N 428.513 4.784 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@@]2(C)C1 2005136209 SSWZDNCSYMWFDY-PNHOKKKMSA-N 447.498 4.715 30 10 IJEE C[C@H]1CN(c2ccc(Br)cc2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2006296802 LGPOHRFIHYNDMZ-IYBDPMFKSA-N 428.330 4.557 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NC 2028851855 UJVNTXCQXSDQGK-DLBZAZTESA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2cc(C#N)c3ccccc3n2)C1 2055661599 ZPXVKXLOXUDJSV-UHFFFAOYSA-N 430.508 4.664 30 10 IJEE C=CCC1(Nc2cc(Br)nc(CC)n2)CCN(C(=O)OC(C)(C)C)CC1 2106105640 CZCPJBTTWUARSL-UHFFFAOYSA-N 425.371 4.559 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CNc1cc(Br)cc(F)c1C#N 2107438308 JTIDTORYIBJGAH-WBMJQRKESA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccc(Nc2ncc(Br)cc2C#N)cc1 2162387167 KJGKWMIQOUKSAR-IRXDYDNUSA-N 429.318 4.840 30 10 IJEE CCN(c1ncc(Br)cc1C#N)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174809280 YFDMFXWEGUEIQH-PBHICJAKSA-N 437.382 4.626 30 10 IJEE C=C[C@]1(Oc2ccc(N)c3cc(Br)cnc23)CCN(C(=O)OC(C)(C)C)C1 2198944935 ZWSZZZRDSJMBEL-FQEVSTJZSA-N 434.334 4.524 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](O)C#Cc1ccc(Cl)cc1 2212453903 YVGHAGAGFHBUEA-VXKWHMMOSA-N 429.944 4.553 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2235730488 VIBIXYFWHOQZDZ-MOPGFXCFSA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2235731220 PPXZRYAPEVDCDM-XKGZKEIXSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccccc2Br)CC12CCCCC2 2235747045 MYPSTQLCKZYLSQ-NRFANRHFSA-N 433.390 4.842 30 10 IJEE Cc1cnc(OCc2cc(Cl)ccc2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241077977 YQGAQESMIDADBJ-UHFFFAOYSA-N 438.558 4.684 30 10 IJEE CC1(C)OB(c2ccc(F)c(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)OC1(C)C 2241475229 TXLDRTJNNHMGJK-UHFFFAOYSA-N 445.343 4.968 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2CN1C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2267557110 KHFHFIRSDWUKQD-KDURUIRLSA-N 442.365 4.553 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(CCC)n2)CCCN1C(=O)OC(C)(C)C 2287852060 HRULQTMQIBJKRO-FQEVSTJZSA-N 440.382 4.916 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2c(F)cccc2Br)NCC)C1 2289734605 FOZHLFTXQDLWSD-GOSISDBHSA-N 441.385 4.970 30 10 IJEE O=C(C=CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(OC(F)F)cc1 2294873521 XSQFXDLVAXACFK-UHFFFAOYSA-N 440.412 4.821 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296266837 MNYCVGHOSKPPSI-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(N(C)C(=O)OC(C)(C)C)CCCC1 2296277161 OWZIRTOMCNWVES-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2296285054 XXIITVDWWOAWCW-RTBURBONSA-N 435.406 4.672 30 10 IJEE CC1(C)CC[C@@](N)(C#Cc2ccc(Br)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 2296303230 SQOQJVOQJDTTTF-VGSWGCGISA-N 435.406 4.849 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)cc1OC 2296869216 JYJDCMXYOCDRDI-UHFFFAOYSA-N 431.488 4.658 30 10 IJEE CCc1ccc(N=C2NC(=O)C(=Cc3cc(Cl)c(OCC#N)c(OC)c3)S2)cc1 2297461953 OPAHHVQKPNNISM-UHFFFAOYSA-N 427.913 4.705 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2314028142 GAFNVECGIMQYPI-PKOBYXMFSA-N 445.560 4.974 30 10 IJEE CCCCOc1ccc(C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1OCC 2318415606 RQEZZWNDKVZXCX-UHFFFAOYSA-N 440.931 4.910 30 10 IJEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(CCCOC)C4)C2=O)c2ccccc21 2322328723 PVOXUVUVGKWLQR-UHFFFAOYSA-N 432.520 4.774 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(cc3c(c2C)OCN(C2CC2)C3)C1=O 2322350205 AEDSPFSCFUXXBF-UHFFFAOYSA-N 442.309 4.697 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2cccc(Br)c2)c1OCCCO 2322460359 IECXXBXZHJVTMB-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2323589625 KUPGDVWROJNOFO-UHFFFAOYSA-N 431.375 4.969 30 10 IJEE COC(=O)COc1c(Cl)cc(C=CC(=O)c2cccc(Br)c2)cc1OC 2323650890 INMPLEBJVGQKCX-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(O)cc1O 2326091392 LLRQDUWAPVNGPW-UHFFFAOYSA-N 446.960 4.739 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2N=Cc2ccccc2F)cc(C)c1Cl 2326149022 JJDVWIZRBAGIGZ-UHFFFAOYSA-N 448.951 4.623 30 10 IJEE Cc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(Br)ccc1O 2326541108 XQWZYNMYQYRLFF-UHFFFAOYSA-N 437.750 4.883 30 10 IJEE Cc1ccc(C=CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C#N)cc2)cc1 2328669469 CJHOQSKPCXRUJL-AREMUKBSSA-N 448.526 4.727 30 10 IJEE COc1cccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)c1 2329668948 DNNXDLCJKMSJLV-JTHBVZDNSA-N 435.568 4.517 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OC(=O)C(C)C 2331001027 MGNRCNMBMCQNSV-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)CCOC 2331006967 OVONIHNGXKVNIT-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccc(F)c1)c1ccccc1 2331228787 YNDKPPMMTHBJKW-INIZCTEOSA-N 449.511 4.529 30 10 IJEE C=CCn1c(SCc2nnc(C(F)(F)F)o2)nnc1-c1ccc(Br)cc1 20831205 PINOJLYPQXDGSV-UHFFFAOYSA-N 446.252 4.588 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Br)c2)cc1 20884964 JDBVQRHOVYKUNC-QFBILLFUSA-N 440.337 4.852 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1 23587172 SGVVOCKZIDKDAU-UHFFFAOYSA-N 439.606 4.841 30 10 IJEE COc1ccc(OC)c([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 28886664 KMZFLTOLXYADAL-LSDHHAIUSA-N 427.570 4.584 30 10 IJEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1ncc3ccccn13)CCCC2 32327218 OBXZJGQWOHWWRY-UHFFFAOYSA-N 427.533 4.606 30 10 IJEE C=CCN1C(=O)S/C(=C\c2cc(Br)c(O[C@H](C)CC)c(OC)c2)C1=O 33457678 GLDALVYCVBZTLD-MKVLZVNKSA-N 426.332 4.857 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4c(OC)cccc4OC)c3C)C2=O)cc1 41289907 VNVHFBLXIPXADS-HMAPJEAMSA-N 446.455 4.856 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1OC 41658554 DDOVNVCFDVJLQN-MXAYSNPKSA-N 443.499 4.981 30 10 IJEE C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1cccs1 54643227 GTINGRVFYRQVCC-GOSISDBHSA-N 442.541 4.789 30 10 IJEE CCCCNC(=O)CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59816500 OBZBWWXWMZFXQY-AFUMVMLFSA-N 432.553 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3ccccc3n2Cc2ccc(C#N)cc2)C1 95084809 KKVIFTFCHOVICB-HXUWFJFHSA-N 432.524 4.735 30 10 IJEE COc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100294900 PYCPEVSLPDFBEH-PSCYQSDVSA-N 445.544 4.856 30 10 IJEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921841 GWOLMUHUUZVKGT-XMMPIXPASA-N 431.463 4.936 30 10 IJEE CCCCCOc1c(OC)cc([C@H]2NC(=S)N(CCC)C(C)=C2C(C)=O)cc1[N+](=O)[O-] 169930461 QBIWZWRHUDONKY-HXUWFJFHSA-N 449.573 4.677 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934697 KPPZFMOHJZHGJD-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934704 DJNLPXMLGBDXNE-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccco2)cc1 170094596 BUOAFFRZZRRCLN-JOCHJYFZSA-N 430.460 4.638 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC(C)C)c1 170148333 UVDQTIBNDQJTLH-MHECFPHRSA-N 449.547 4.712 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccn1 170182264 DOFQEDPJXVKRLR-LJQANCHMSA-N 426.900 4.573 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccncc2)c1 170202812 JXVZXJQGXYASCX-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccncc1 170208507 YZOFZBWOOADGLO-HSZRJFAPSA-N 441.531 4.861 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2)c1 170221323 PJZVMSMIKHAGDI-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2)cc1 170224429 GLVKTUCYYRKWAB-DEOSSOPVSA-N 425.484 4.967 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)c1 170260559 KXAOPEOHRNPMDT-JOCHJYFZSA-N 433.460 4.551 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccco2)cc1C(C)(C)C 170280578 MORDBXDESHAQKI-NRFANRHFSA-N 441.524 4.589 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2ccco2)c(C)c1 170296957 SPEOACNZXBWDTB-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(CC(=O)O)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 170469118 PXBXNLXJIYKXQG-JOCHJYFZSA-N 435.520 4.736 30 10 IJEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 170536687 NMONZBNXVOTHJA-UHFFFAOYSA-N 431.883 4.742 30 10 IJEE Cc1ccc(CN2C(=O)C(=NNC(=S)Nc3c(C)cccc3C)c3ccccc32)cc1 254758471 BMIDLSULHUXQQQ-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1C(=O)OC 303238170 ZRLPPKLWJYRQRR-UHFFFAOYSA-N 447.919 4.915 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3cccn3Cc3ccccc3)c2)OC1(C)C 404980167 NGEZGYBDTCKEFH-UHFFFAOYSA-N 436.748 4.741 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CC[C@H]2C)c1 436342857 IRCQXWQURBEDHX-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE N#CC1CCC(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)CC1 441149226 VRBPMUQEGCDCJF-UHFFFAOYSA-N 441.373 4.573 30 10 IJEE C=CCn1c(CCc2ccco2)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 508861807 BXCXBZMKUCJYBL-UHFFFAOYSA-N 431.540 4.716 30 10 IJEE Cc1ccc(NC2=C(Sc3nc(C)cc(C)c3C#N)C(=O)N(c3ccccc3)C2=O)cc1 526648072 MGJBKOXMDLFVDN-UHFFFAOYSA-N 440.528 4.868 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ccccc2)cc1OC 549530748 XZOWJIOGZNWPMW-UHFFFAOYSA-N 431.540 4.531 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@](C)(C#N)c1ccc(Br)cc1F 698379861 OJSBBVRUALXSKQ-HXUWFJFHSA-N 442.373 4.906 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1 733804139 YGMCHQWPGBZITK-HNAYVOBHSA-N 430.346 4.560 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2[C@H]3CC[C@H]2c2ccccc23)c1=S 739878346 CLBVANTYRGLIGP-CNNODRBYSA-N 432.549 4.962 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2CCO[C@H](c3cccc(OC)c3)C2)c1=S 765150580 PPTUSRQXVDPHFY-QFIPXVFZSA-N 436.581 4.615 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)cc1 774037818 GXXGGDBEUUCXFP-UHFFFAOYSA-N 436.943 4.870 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1I 776092913 CQBPNYYDDVKZPM-GOSISDBHSA-N 446.288 4.672 30 10 IJEE CC(C)(C(=O)N1CCc2ccc(C#N)cc21)[C@@H](O)c1ccc(OCc2ccccc2)cc1 778939708 YEDFKAYFQIDWHL-VWLOTQADSA-N 426.516 4.786 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccsc1 790285369 PPSIKTPSBAMYAK-LJQANCHMSA-N 441.578 4.877 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc1 793131884 PTSJLJZVWNYVMV-UHFFFAOYSA-N 435.524 4.542 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 796794908 YJNUJSXODQBVBC-LRDDRELGSA-N 433.291 4.558 30 10 IJEE COc1cc(C=NN=CC2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)cc(OC)c1 886012631 YXESWTHQLXDHCY-USKFFDBCSA-N 431.536 4.572 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1cccc(OC)c1 1084409559 RHQUHLAUGFWRQW-SFHVURJKSA-N 447.919 4.634 30 10 IJEE C[C@H](NCC#CCN[C@@H](C)c1nc(C(F)(F)F)cs1)c1nc(C(F)(F)F)cs1 1117097082 KEXQLOKMWPINJC-UWVGGRQHSA-N 442.454 4.642 30 10 IJEE C#CCN(C(=O)[C@@H]1Cc2ccc(C)cc2S1)[C@@H]1CCOc2ccc(Br)cc21 1126229950 UINZNBONZFPEMO-NQIIRXRSSA-N 442.378 4.760 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H]3c3ccccc3C(F)(F)F)cc2C1=O 1127276302 GUXYYQGHLKYIJU-UZLBHIALSA-N 442.437 4.554 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 1129067795 DTJJYLDQSVYXQN-UHFFFAOYSA-N 436.265 4.963 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 1130804438 SWDAOIHNLKVLIE-PBHICJAKSA-N 449.473 4.872 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1OC 1134820877 MVXGYSUMYXUABX-LJBCFFPXSA-N 446.591 4.690 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 1135862432 OAAHFXJQVLRYDK-ICSRJNTNSA-N 436.980 4.959 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2nc1O 1147578394 KRHNYPLXMFKFMV-QUCCMNQESA-N 425.410 4.871 30 10 IJEE CC(=O)[C@@](C#N)(CCSc1n[nH]c(COc2ccc(Cl)cc2)n1)c1ccccc1 1165213865 AXVSJXVCUVOSOE-NRFANRHFSA-N 426.929 4.570 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1OC 1179658118 CHDWSRCBVKSTEY-UHFFFAOYSA-N 430.932 4.907 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(c2cccc(Cl)c2)CC1 1193753121 AMQHEABCXDRLKD-GOSISDBHSA-N 425.960 4.863 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1205535673 FBNYTVLNWJKLOA-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 1209733726 AAJRPSMTIJSTKC-UHFFFAOYSA-N 427.909 4.623 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1)C(C)C 1220597814 JOTUHSBZXAARCS-RUZDIDTESA-N 438.616 4.764 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)nnc1-c1ccco1 1277016865 KDQDFAATJAUVAW-ZWKOTPCHSA-N 428.602 4.881 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCNc1ccccn1 1286300710 CKRYBVOHEINTQF-FQEVSTJZSA-N 446.599 4.510 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286382625 UGKXVAWPACOLNK-IRXDYDNUSA-N 436.478 4.619 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C)[C@@H]1C 1286497430 SDUPFCYNIIFAKR-AEFFLSMTSA-N 437.638 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@H]1C(=C)C 1286518592 HLTMEDZQIWSZSE-CFGBTRHTSA-N 438.547 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H](C)c1ncc(C)s1 1286528521 DSXOTMNEXFSXFC-QMHKHESXSA-N 439.560 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCCCCC1 1286571378 MMXVVKXNFVJSEV-UHFFFAOYSA-N 434.588 4.619 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1286591741 AVFORMNAMDTVFO-IBGZPJMESA-N 427.568 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286667207 IXJDLUUFCMCCBW-HXUWFJFHSA-N 437.632 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286669927 XURZDAVIEBJXOH-SFHVURJKSA-N 442.608 4.569 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccccc1 1286677640 GTZUGBQLOVPIEP-DHIUTWEWSA-N 435.616 4.504 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1286682551 AOKPMWTWMIBSHV-SLFFLAALSA-N 428.552 4.776 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nccc(C(F)F)n1 1286717040 QEOSSAUZJJXKCO-UHFFFAOYSA-N 449.509 4.751 30 10 IJEE C=CCN(c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(F)(F)F)C1CC1 1286737689 UBCWBPIEBPPVNM-UHFFFAOYSA-N 428.886 4.969 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccsc1 1286745982 ZTMTYRDZHDCRKD-HSZRJFAPSA-N 426.561 4.532 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1Cc1csc([C@H](C)OC)n1 1286748038 RWCIRBSZQFISKB-HNNXBMFYSA-N 427.549 4.699 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1286833993 WRHGRPCGVKZROE-MRXNPFEDSA-N 441.551 4.585 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(Br)cc(OC)c1 1288678077 ATZHJMHMAVYLOE-UHFFFAOYSA-N 444.247 4.971 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CC12CCOCC2 1300323246 YFGJRTONHVADKC-RTWAWAEBSA-N 436.600 4.564 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCSc1nccs1 1300438692 SCCALIBSSGXHFX-UHFFFAOYSA-N 434.594 4.510 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1300755606 YMIXXPPAPMILKI-INIZCTEOSA-N 447.530 4.582 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)Cc1nc2ccccc2s1 1300766717 IRLTVZGTAQRHGO-UHFFFAOYSA-N 439.635 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)N1CCC[C@H](C)C1 1300790299 NASYRKAPGPIVSN-LLJLJFOGSA-N 443.998 4.850 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1300969762 DCJQDRFDKKMRML-VLCRHTCISA-N 426.605 4.936 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1300980731 MCHWIDXYKSTKMA-OAQYLSRUSA-N 434.569 4.516 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1301127467 NLWIEUGUSYFWQI-UHFFFAOYSA-N 433.641 4.916 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1)c1ccccc1 1301164743 WOOYARKVQJCNII-NRFANRHFSA-N 439.604 4.819 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CC)C1)c1ccccc1 1301165029 YWGKXIGNTRKMEV-NHCUHLMSSA-N 437.975 4.969 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1Cc1cscc1C(F)(F)F 1301309605 UFCXYXQOUVULBJ-UHFFFAOYSA-N 426.439 4.747 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1csc(C(C)C)n1 1301310088 WJJVXYJTBSCACJ-UHFFFAOYSA-N 431.993 4.955 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC(F)(F)C1 1301342252 UFFJQKWEJGHGBH-OAQYLSRUSA-N 448.521 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1N(C)CCCC1(C)C 1301394275 MHEFFCFKIIBIFI-QHCPKHFHSA-N 432.616 4.649 30 10 IJEE C=CCN1CC[C@H](Sc2nc(-c3ccc(Br)cc3)nc3ccccc23)C1=O 1307239041 GOORGFQMKJFDJC-SFHVURJKSA-N 440.366 4.938 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1309993353 BBYROLWVAXXWHL-LPHOPBHVSA-N 440.009 4.771 30 10 IJEE C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1310923688 GQIDMSQMQUDYMO-SNVBAGLBSA-N 445.379 4.743 30 10 IJEE Cn1ccnc1[C@@H]1CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1310923727 HLLHDOGAYBCGTK-LLVKDONJSA-N 438.347 4.731 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1 1312671208 OAXURGHHERMSIF-UHFFFAOYSA-N 430.504 4.841 30 10 IJEE CN(CC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1314791715 ARSZYTVOPFYUCN-UHFFFAOYSA-N 435.601 4.640 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccccc2)C1 1321312161 SVGMJKIGGXIUNN-AUSIDOKSSA-N 436.531 4.581 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)c1 1352621529 SMNXBXRQPZHQAD-QFIPXVFZSA-N 426.491 4.702 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 1352660958 NSHWQMQAMMJMLT-UHFFFAOYSA-N 433.888 4.901 30 10 IJEE C=C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccccc1 1354034370 ZBBJBQLVNLMIPR-IBGZPJMESA-N 426.582 4.938 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1355279777 BPCBAHXFVYWJAF-UHFFFAOYSA-N 425.382 4.770 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2ccccc2C)C1 1359021319 LBDQLSWOCRPRFU-MXVIHJGJSA-N 435.959 4.507 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)CCSCC 1359085156 DHYZMVCVHVMHID-OAHLLOKOSA-N 441.414 4.885 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCc2ccc(Cl)nc2C1 1359155537 BCUQBDHXUOZUEU-UHFFFAOYSA-N 444.366 4.783 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCCN(C(=O)c2ccsc2)CC1)c1ccccc1 1359196003 VVOQXINLWYLFNO-NRFANRHFSA-N 449.624 4.614 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1359258134 HHMNLDGAHGZLNQ-NRFANRHFSA-N 439.604 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCn2ccnc2C1 1359268104 DEFOEJLPKUMRTO-FQEVSTJZSA-N 430.600 4.880 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1ccc(Oc2ccccc2)nc1 1359269825 QYFSKVHCSLOAQU-UHFFFAOYSA-N 426.524 4.698 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccc1Cl 1359279826 ULCPXSIOEAUSJR-UHFFFAOYSA-N 432.355 4.528 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359309343 PDIYKWLNXLSWLI-IRLDBZIGSA-N 434.588 4.751 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCSC2(C)C)C1 1359316407 OBMMRWZTYNMSSK-SFTDATJTSA-N 426.630 4.821 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2SCCc3ccccc32)C1 1359321832 MFGGBTDZCOXFHB-CTNGQTDRSA-N 426.630 4.679 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1nccs1 1359466523 CNSBONIRJPOAMV-ZIAGYGMSSA-N 445.390 4.564 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN([C@H](CC)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1361193462 VNHWUQGAEKYIFB-GJZUVCINSA-N 441.616 4.628 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccc(Cl)cc1F 1436652504 KIQOAHNZNZWADP-FQEVSTJZSA-N 436.849 4.699 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)OCC 1441185115 GDILTZYCSFYFOX-SFHVURJKSA-N 440.924 4.590 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 1442061950 JOSHPYVBTFRLGN-XZOQPEGZSA-N 443.632 4.825 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C 1443789177 LFPROHWKERDZSS-QGZVFWFLSA-N 437.968 4.954 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)C(=O)OCC 1449697466 OBQRLMLEAJGZJH-MRXNPFEDSA-N 449.370 4.623 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)nc1)c1ccc(Br)cc1 1460789110 RRIKZBKVTGFVKR-GOSISDBHSA-N 426.701 4.664 30 10 IJEE C=C[C@H](CC(=O)N(C(C)C)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC)c1ccccc1 1462553761 MYFQXEADKOIDGD-ZWKOTPCHSA-N 442.581 4.767 30 10 IJEE C#CCN(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H]1CCCc2ccccc21 1463015345 LWHCIQAOUXXHTP-SFHVURJKSA-N 425.319 4.727 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(CSc4ccccn4)c3)CC2)cc1 1465487426 GDVCBUGTNYZEIE-UHFFFAOYSA-N 429.549 4.600 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(C(C)(C)CN(C)C)CC2)s1 1468185508 KNKZHUPIQNFZAN-UHFFFAOYSA-N 430.083 4.665 30 10 IJEE C=CCN(CCC#N)C(=O)[C@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1468406489 YJYQZRZAEOXKPR-SANMLTNESA-N 431.536 4.622 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@H](c2nnc(S)n2C(C)C)C1)c1ccc(F)c(F)c1 1469855563 DYDSHLMNJGOBRW-CRAIPNDOSA-N 435.544 4.632 30 10 IJEE C=C[C@H](CC)CC(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1472125084 WPHJYPHLCLIKMO-LJQANCHMSA-N 428.573 4.780 30 10 IJEE Cc1cc(Br)cn2cc(CCNc3nccc(Oc4cccc(C#N)c4)n3)nc12 1472753362 GMBWBJQFGPVMSO-UHFFFAOYSA-N 449.312 4.514 30 10 IJEE Cc1c(S(=O)(=O)N(CC(C)C)c2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 1474889759 FUOVDBFHNWJFIT-UHFFFAOYSA-N 428.945 4.557 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCC1 1507518381 UXWBXGOWQAWPSX-VQTJNVASSA-N 444.023 4.632 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1507565455 FGASKHQEOSROGN-QFIPXVFZSA-N 447.652 4.835 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1507841263 UFLXTXXZQGFORH-FGZHOGPDSA-N 449.599 4.726 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2csc(C)n2)CC1 1507878002 QJWUNVXIXKECGK-UHFFFAOYSA-N 431.512 4.711 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1507925818 JDKVIXSSTHLQGM-GAJHUEQPSA-N 448.970 4.868 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1cnn(C)c1 1507969954 AIDRHEIQHPKTRW-UHFFFAOYSA-N 426.977 4.802 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1CC1(C)CCOCC1 1508025744 BSLBDJLLYBBXAD-UHFFFAOYSA-N 436.556 4.599 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1cccs1 1508103020 DGZPUDWHEAUHDB-HXUWFJFHSA-N 438.597 4.873 30 10 IJEE C[C@H]1CCCCN1Cc1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)cc1 1516575121 BOHDOKJQGJSDBE-INIZCTEOSA-N 442.357 4.713 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)ccc1F 1520058699 VTTWLFZELMCWNJ-JOCHJYFZSA-N 444.572 4.732 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 1523608777 NBFAUKPHVUAORZ-UHFFFAOYSA-N 433.405 4.568 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)cc1 1525534170 KOVAFSJIVHGMHV-UHFFFAOYSA-N 428.414 4.734 30 10 IJEE C#CCN(C(=O)c1ccccc1Br)[C@@H]1CCOc2ccc(Br)cc21 1529627802 YGGPRHUSLHAYTP-QGZVFWFLSA-N 449.142 4.811 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c1 1530326277 HHVKOOKCZRUULQ-LEWJYISDSA-N 428.363 4.749 30 10 IJEE Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1C 1533020729 CHXZDDIFKSEHRF-UHFFFAOYSA-N 429.455 4.883 30 10 IJEE COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cccc(COc2ccccc2C#N)c1 1536568392 HQMBVVKVAUXMMQ-QHCPKHFHSA-N 426.516 4.996 30 10 IJEE CCc1ccccc1O[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 1537881382 DWRGFZJZWRJZJQ-VPUSJEBWSA-N 439.559 4.606 30 10 IJEE COC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 1538669801 DBTHHSAUYJEXIE-LJQANCHMSA-N 446.890 4.996 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCn1ccnc1C 1538987669 VREJNXGJTOQYSL-HNNXBMFYSA-N 431.371 4.695 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCC2(CCCCC2)O1 1539032100 SSPGJRCVGCFJBF-RBBKRZOGSA-N 436.600 4.759 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1539125199 XCVLUTCQCDQCIP-IIBYNOLFSA-N 442.535 4.588 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCSc1ccccc1 1539159407 XBVUWMFJNOTWTO-UHFFFAOYSA-N 433.400 4.631 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@@H]1CC 1539250621 PVITVFRZDWGTIZ-IRXDYDNUSA-N 443.364 4.746 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](Cc1ccccc1)OC 1539350680 VBGPFKNXOHMLBU-JOCHJYFZSA-N 448.636 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)C1 1539637770 SVCZKGDXCKQLSU-APTRMMRNSA-N 445.007 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](OCCC)CC1 1539648092 ZESRSGPZGRPBPP-XPNTWCBSSA-N 444.645 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCSC1 1539669241 NDMMSNSPGWMWGD-GOSISDBHSA-N 449.665 4.548 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(Cl)cccc2C1 1539686287 NXJBOAHAWKJYNK-UHFFFAOYSA-N 432.753 4.828 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1 1539823554 FEAVTQDQEQMETI-QHAWAJNXSA-N 445.007 4.917 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1539871386 MPSFBSHLEGLILI-LJQANCHMSA-N 443.542 4.985 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc([C@@H](C)O)cc2)CC1 1539896918 XEWDUEHXAVLOAJ-SXSPYAJSSA-N 438.616 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1539923529 BTLFZOZSGNPFJX-OAQYLSRUSA-N 435.572 4.947 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCSC2)C1 1539928533 CTJZSNKDMUSDJR-QHCPKHFHSA-N 430.593 4.932 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 1539941111 ZYUIFPDERJTIOM-SFHVURJKSA-N 444.505 4.904 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OCC(F)F)C1CC1 1540102666 PKGIBYWPUPMGHF-UHFFFAOYSA-N 445.901 4.841 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C(F)(F)F)cc1 1540105886 ADMTYCZJZYTZGD-DENIHFKCSA-N 429.438 4.793 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@H](C)C1 1540191101 CIJQERVJMFWQTM-LSDHHAIUSA-N 439.423 4.844 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1540910590 LCDRATSJXRFOJZ-HXUWFJFHSA-N 433.021 4.913 30 10 IJEE C=CC1(CC(=O)Nc2ncccc2OCC2CCCCC2)CN(C(=O)OC(C)(C)C)C1 1546249054 YNJDABHFMMWKKT-UHFFFAOYSA-N 429.561 4.792 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc4ccccc4cc3C(=O)OCC)n[nH]2)c1C 1556393488 HVNQEJVJPLQTQH-UHFFFAOYSA-N 443.507 4.658 30 10 IJEE C#CC[C@@H](COC)NC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 1562310043 DHZIXZRQGUYUGD-SFHVURJKSA-N 439.899 4.734 30 10 IJEE CC(=O)c1cc(NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccc1F 1562776076 ILMOYEMRRYQMRH-PHIMTYICSA-N 448.285 4.663 30 10 IJEE C=CCC[C@H](NC(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C)c1ccccc1 1563009826 UTZWRBFNYPXUIX-IBGZPJMESA-N 427.549 4.582 30 10 IJEE C#CCOc1ccc(CNC(=O)N(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 1564798922 UVEKFDFKDWXNFA-KRWDZBQOSA-N 434.458 4.637 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 1568575783 MVTHTJDKOKVBEZ-INIZCTEOSA-N 425.356 4.796 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCc3ccc(Cl)c(C)c3C2)nnc1-c1ccco1 1583051612 DTEXCEUUMZQZPS-UHFFFAOYSA-N 442.972 4.753 30 10 IJEE Cc1csc([C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C(F)(F)F)n1 1583973683 CDSJIRLGLMAEEB-SFHVURJKSA-N 431.439 4.936 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1585941176 ANGBPZBKJBPWNS-CABZTGNLSA-N 432.336 4.685 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1(COC)CCCC1 1587562667 RUFPGTFICRNYSF-RBUKOAKNSA-N 428.552 4.612 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCCC2(CCCC2)C1 1589116711 LGPRFEBYHBSCLF-UHFFFAOYSA-N 438.641 4.947 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1589317044 JONQBTAWBPAASV-OAQYLSRUSA-N 449.393 4.504 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC1(C)C 1589513827 BZTSRKHOVGMUDR-SIKLNZKXSA-N 440.588 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(F)(F)CC1 1589567921 GVZKVDXEOKPHDN-UGKGYDQZSA-N 446.542 4.636 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)SC)CC1 1594202359 NBAQVOLPSZZDSM-UHFFFAOYSA-N 446.617 4.515 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1594591010 IEBNXNOGNSRGMJ-OAQYLSRUSA-N 446.599 4.592 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OCCC)nc1 1594895820 PBAJLOYGODMGBW-KRWDZBQOSA-N 437.613 4.986 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C[C@H](C)C1)C(C)C 1595165527 JJBXGWPHXGPQIL-WRALFONMSA-N 446.643 4.998 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Cc2ccccc2)CC1 1596848671 BCPUDMUDRFRNMH-KSEOMHKRSA-N 435.616 4.815 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C(=O)c1ccc(Br)s1 1596886265 HLCMPPDDHRGYBQ-UHFFFAOYSA-N 445.132 4.659 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2)c1CCC 1611515856 MZRKBIZLNWYUQT-KRWDZBQOSA-N 432.952 4.799 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(NC(=O)C3CCCC3)c2)o1 1612012187 AOIQOMUTJRJXNL-KRWDZBQOSA-N 446.555 4.619 30 10 IJEE C=CCn1c(SCC(=O)c2sccc2Cl)nnc1[C@H]1COc2ccccc2O1 1613299239 JVJHLMQNMVGVQJ-MRXNPFEDSA-N 433.942 4.667 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1ccc(C(F)(F)F)c(I)c1)OCC 1617170675 HBJOHBHCQVLRJK-CYBMUJFWSA-N 427.204 4.620 30 10 IJEE C#CCN(CC(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C)C(=O)OC(C)(C)C 1617251673 BMNUMEAJNZUSSY-KRWDZBQOSA-N 441.399 4.795 30 10 IJEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCC1(F)F 1618201643 BWCXHRYWDXEHDI-OAQYLSRUSA-N 443.542 4.895 30 10 IJEE Cc1[nH]nc(NCc2cn(-c3ccccc3)nc2-c2cccc(Br)c2)c1C#N 1620961893 FWIOUSSWJNRINT-UHFFFAOYSA-N 433.313 4.817 30 10 IJEE CCOC(=O)Nc1ccc(NCc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1C#N 1620963095 HTQVNWGGXOLDNJ-LJQANCHMSA-N 429.904 4.950 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]32)ccc1Cl 1623301734 GAXURUHTKFNDRY-LDQXTDLNSA-N 444.984 4.640 30 10 IJEE C#CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 1633213617 XPMNNMBCXKFHTJ-VDKIKQQVSA-N 446.591 4.827 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3ccc(Oc4cccnc4)cc3)n[nH]2)c1C 1635993443 NOAYXWZMVYZHCN-MRXNPFEDSA-N 442.523 4.754 30 10 IJEE C#CCN(CC#N)C(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C 1639281508 CGOYVJIEXKGLNU-UHFFFAOYSA-N 449.510 4.955 30 10 IJEE C#CCCCNC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1640141580 RNRVQZQKTWFXQG-NRFANRHFSA-N 444.575 4.957 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 1643425176 BZPBBTJGZBJCGJ-DVECYGJZSA-N 435.593 4.731 30 10 IJEE C#CCN(CC/C=C/c1cncc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1653389059 SFVRFCLJEPRSFU-KOXUSJRISA-N 427.342 4.715 30 10 IJEE C#CCN(Cc1cc(OC)c(O)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1657514975 ZVADNKWGOKNHRS-QGZVFWFLSA-N 436.733 4.776 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@H](C)Cc2cccc(F)c2)n(Cc2ccccc2)c1C 1658942823 HQDNFDPFHCSJSH-GOSISDBHSA-N 432.543 4.666 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(Br)c1 1659461032 ZGCHNFSIDWTLSB-UHFFFAOYSA-N 445.176 4.589 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)c1ccc(Cl)cc1 1667024144 WMQBMXUGYDSAIX-MRXNPFEDSA-N 429.705 4.784 30 10 IJEE COc1ccc(Oc2ccc(CCNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)cc1 1670697624 DAEPUDIQMIMMAC-UHFFFAOYSA-N 427.504 4.890 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)c1ccc2nc(O)oc2c1 1670846009 XKYNGDCMAMPJOB-LLVKDONJSA-N 432.274 4.743 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1 1674518930 NNDNPCUAVFSRNJ-QHCPKHFHSA-N 431.561 4.681 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1675406486 DZBNZASFSMVEJC-OAQYLSRUSA-N 445.579 4.957 30 10 IJEE CC(C)(C)OC(=O)[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccccc1 1676979968 HFQJSCFUWBTALZ-KRWDZBQOSA-N 435.402 4.661 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)[C@@H]1OCCc2sccc21 1678356050 JJCZNBLMPLTWNO-XIKOKIGWSA-N 437.359 4.899 30 10 IJEE COc1ccccc1[C@@H](CC(C)C)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1678525233 GJGOJNFHOBIAOF-XMMPIXPASA-N 434.584 4.618 30 10 IJEE C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1681580404 ATBNCZCUBYSUCK-OWWUNANSSA-N 436.531 4.589 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@@H]3Cc3ccccc3Cl)CC2)c1 1683532681 DALSPYXQZPBBDA-HSZRJFAPSA-N 436.987 4.593 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 1685845863 NBNRKDUOJWNXAU-JIMJEQGWSA-N 428.580 4.557 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1689879858 JJXBHXSRNOCUQX-UPVQGACJSA-N 444.627 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(F)(F)Br 1690059908 ZVRIXDHJSHNERK-LBPRGKRZSA-N 447.711 4.519 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCS1 1690082804 PAZGIDZCEOAOJN-LJQANCHMSA-N 433.021 4.607 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1690313225 NYIRDAXZBFQIMR-QFIPXVFZSA-N 425.621 4.565 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1F 1690331456 XAWSNKKNABKKPR-UHFFFAOYSA-N 438.732 4.574 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(OC)c(F)c2)CC1 1690368861 OQQMGJLTYKHOAA-UHFFFAOYSA-N 427.911 4.540 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCN(C(C)C)C2)CC1 1690415256 FFGWWMAYCIOZDK-NRFANRHFSA-N 441.595 4.519 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)COC)CC1 1690415650 SUABJESCEGRGGJ-OAHLLOKOSA-N 439.387 4.849 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H](C)c1nccs1)c1ccccc1 1690444196 BYPTWBSWSYXLTM-QUCCMNQESA-N 445.596 4.791 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690472757 VCNUOXKIUSAEOE-UMSONDCASA-N 430.980 4.756 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC(C)(C)c1ccccn1 1690576270 UDRPWHDXCCTHRD-UHFFFAOYSA-N 432.597 4.911 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1C[C@H]2CC[C@H]1C2 1690600936 KHLGEDGJYFITOH-BURNTYAHSA-N 441.620 4.965 30 10 IJEE C=CCn1c(N(Cc2ccc(F)cc2)C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653594 YGGCVVHXSYKTLI-PUZFROQSSA-N 443.567 4.789 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H]1C 1690737028 XCEVSZKTQFKPNN-OLZOCXBDSA-N 427.437 4.923 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1690742544 UITCTWCKFVFIHP-YLJYHZDGSA-N 441.626 4.596 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705510060 RTUUBSRMGQNLGE-HZPDHXFCSA-N 449.418 4.720 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccccc1)C1CC1 1705558476 YBQAIIKYRKMXJI-YADHBBJMSA-N 449.599 4.613 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCC1CCOCC1 1705616507 JCENZIGLDCGHHV-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705664391 NTMPKNITJIUONC-YADHBBJMSA-N 438.641 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705714101 DPSGGBLVGGRIJP-QGZVFWFLSA-N 446.521 4.713 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1C 1705728505 MSCKQJSQRKTGPW-FQEVSTJZSA-N 425.577 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC2CC2)CC1 1705789063 XIMDNCVTWBYEFC-UHFFFAOYSA-N 445.558 4.681 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1705796739 JIKNMDQAWOUBBI-FXAWDEMLSA-N 433.522 4.588 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705803678 ZADMUBKETLLBLF-OAQYLSRUSA-N 446.599 4.592 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1705803960 JXOQLMLTPIYQLP-UHFFFAOYSA-N 444.505 4.975 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2sccc2C1 1705825180 LPSGVVHXDHOSOZ-QGZVFWFLSA-N 442.560 4.774 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)C[C@H]1C 1708024857 FOCDSSQHFFHRKP-MAUQACMESA-N 434.632 4.810 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCC(F)(F)C1)[C@H]1CCSC1 1711026097 FACBJOWPUBIVAC-HKUYNNGSSA-N 431.556 4.974 30 10 IJEE CS[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C#N)CC1)C(C)(C)C 1712748980 HGFNBSBMZWNWEF-OAQYLSRUSA-N 441.645 4.992 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1722314918 SOZSNESJAIRHRZ-QHCPKHFHSA-N 429.568 4.638 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1C[C@H](C)O[C@@H](C)C1 1722386714 ILAYTKAQMZJGAI-VXKWHMMOSA-N 448.611 4.565 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCO[C@H](C)C1 1722418305 MJIXIXJWFVAXOK-WOJBJXKFSA-N 436.531 4.831 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722524469 SANIUZJDMZLPBV-JOCHJYFZSA-N 425.596 4.532 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1722624061 RLLCGPXAJFKTGZ-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC(C)CC1 1722633489 ICLGWERUXXMWJJ-RBBKRZOGSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCOc1ncccc1Cl 1722657734 MGDOXMYDSRKILJ-UHFFFAOYSA-N 446.942 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H]2CCO[C@H](C)C2)C1 1722716796 YSGMYIQRVDKGGN-DBXWQHBBSA-N 430.980 4.585 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CC1CCOCC1 1723987558 DAGZNCIWDJDJGN-QGZVFWFLSA-N 443.979 4.628 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CCC1 1727969601 BQLVANFOHFUMLU-IBGZPJMESA-N 437.588 4.703 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1728072278 ACYFKKQOSQNYDC-ZFGGDYGUSA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1740572303 HOTOSKVGZZJQDY-FGZHOGPDSA-N 431.584 4.937 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(CC)nn(C)c1CC 1740664918 IPJCSXQMDWKCHM-UHFFFAOYSA-N 445.398 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCN1CCCC 1740669129 NSOZVDRGAFQMAN-QFIPXVFZSA-N 446.599 4.714 30 10 IJEE C=CCCCCn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740866659 KLESCUHEDLZPHN-WTGUMLROSA-N 431.625 4.887 30 10 IJEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)C1CCCCC1 1740887666 LCRUXYVTISNPOU-CVDCTZTESA-N 440.588 4.788 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC1(C)CCOCC1 1740915348 CZWUXIQYGFGTOP-UHFFFAOYSA-N 447.583 4.666 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1740996264 KFIKIPHHXYMJPM-JKSUJKDBSA-N 442.555 4.768 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1F 1748701130 DFNIDRZLSLQEPU-UHFFFAOYSA-N 444.352 4.625 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CC)CCCC1 1748779939 ZEROHLADWNOEDN-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)c1ccco1 1748912148 ALYXGWXSPUERME-JOCHJYFZSA-N 440.956 4.773 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@@H](C)C1 1749058989 UCSMQFIOZHURPH-AUSJPIAWSA-N 449.418 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC1(c2ccc(F)cc2)CCOCC1 1749155306 CFYIRQFBYSHJFJ-JOCHJYFZSA-N 442.579 4.810 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](C)N2CCCCC2)CC1 1749335665 SHPAXUBVRPKPAV-SFHVURJKSA-N 429.012 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(C)C)CC1 1749368971 VIDAFNNDHMDVIB-UHFFFAOYSA-N 431.575 4.670 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC2CCCCC2)CC1 1749434126 INJAQJMEHWCOLM-UHFFFAOYSA-N 437.632 4.834 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCN1CCCC(C)(C)C1 1749537771 ALWGTUBKCSOVSS-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC 1749539126 UJHJWUPMURPIIN-NRFANRHFSA-N 439.604 4.995 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1C[C@@H](C)CN1CCCC1 1749547675 VWNOGVCQSOCHLM-FQEVSTJZSA-N 427.612 4.930 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCC[C@H]2C)C1 1749696064 OWOCQXXBDUNBLQ-KNQAVFIVSA-N 444.023 4.644 30 10 IJEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)CCS1 1751295080 DGIQQRJCNJWRQM-GOSISDBHSA-N 431.556 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CCC)CCC1 1760112525 IMKOUXBBNCQYLZ-IBGZPJMESA-N 443.636 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(CC)CCOCC1 1760122720 QYDVKUQRYTYLBG-HXUWFJFHSA-N 438.616 4.819 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760133179 ZPZFPTNJQCCPNT-INIZCTEOSA-N 442.926 4.617 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CC)CCCC1 1760211867 MYSLCIZPCCPHBS-UHFFFAOYSA-N 426.568 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1760326404 XCEUMMUXPGEOCT-IERDGZPVSA-N 444.004 4.596 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCO[C@H](C)C1 1760485798 QOPCCNYZEARBGO-QUCCMNQESA-N 433.581 4.886 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnnn1C 1760485860 SWKHPXCIHWPJNS-UHFFFAOYSA-N 447.612 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@H](C)c1ccc(F)cc1 1760486107 CXKACMWXOAUZPG-QGZVFWFLSA-N 434.544 4.932 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCOC1 1760487874 GEIXKSCSFMFNDF-FQEVSTJZSA-N 438.597 4.846 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@@H](C)SC)C1 1760539879 XKCMOMMNTDWUNC-JFIYKMOQSA-N 432.659 4.664 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1760562051 VUGCHUUFSOUDMC-LJQANCHMSA-N 433.021 4.771 30 10 IJEE CC[C@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl 1765024511 ASTYZKXGKKGPNH-JXFKEZNVSA-N 436.947 4.569 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 1765245500 ACIAURGFJSCKTL-QUCCMNQESA-N 429.515 4.648 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12 1858245306 VNUJCJYAFQHPSI-UHFFFAOYSA-N 437.503 4.509 30 10 IJEE CC(C)(C)c1ccc(NC(=O)COc2cccnc2NC(=O)Nc2cccc(C#N)c2)cc1 1858835970 YKZKWTMWIPEOMZ-UHFFFAOYSA-N 443.507 4.912 30 10 IJEE CC(C)c1nc2ccc(C(=O)Nc3ccc(CC(=O)Nc4ccc(C#N)cc4)cc3)cc2[nH]1 1859132065 MEFOMSVLCKZIPQ-UHFFFAOYSA-N 437.503 4.991 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)c3ccccc3F)c2)sc2c1CCC2 1860094594 QLTZJZLFAGMIMP-UHFFFAOYSA-N 435.480 4.517 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)N[C@H](CCSC)c2nc3ccccc3n2C)c1C 1860305235 QEDCUWNGDOUGFZ-OAQYLSRUSA-N 439.629 4.506 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)n1 1860566322 NQKAGLXQFVTQMU-BUHFOSPRSA-N 426.476 4.646 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(OC)c(O)c2)cc1 1862396118 DUPKEWDUXMSQFF-QHCPKHFHSA-N 437.536 4.978 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2)cc1C 1862400707 KSKVMFGFIFCYSA-QFIPXVFZSA-N 433.529 4.886 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1OCC 1862422515 HGMZBFLWSAVVDQ-OAQYLSRUSA-N 445.462 4.749 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446680 YCUPFHHPCUWKHS-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Br)cc2)c1 1862566527 XTYITISINMCYCO-LJQANCHMSA-N 441.325 4.552 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1F 1862625557 JTOAUIQQYIKFNC-WNSKOXEYSA-N 445.446 4.894 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc(OC)c1O 1862720776 DOTDTYCCEMYDAM-JOCHJYFZSA-N 447.487 4.549 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1F 1862724260 KKVLIIQFXKWAIU-DEOSSOPVSA-N 444.506 4.633 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862759480 SOPMLYSCECVADD-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863288168 KFRLTVSYJDYWLM-UHFFFAOYSA-N 427.209 4.789 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)c(Br)c2)=C(c2ccc(F)c(C)c2)C1=O 1863468119 WQHMJLPXDXFTSA-UHFFFAOYSA-N 429.289 4.583 30 10 IJEE C=CCn1cc(OCCCCCCC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870411095 TULORKCFARFDSI-UHFFFAOYSA-N 441.591 4.845 30 10 IJEE C=CCOc1cn(CCc2ccccc2)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870809970 FMKJKFCVJNYJIH-UHFFFAOYSA-N 439.899 4.830 30 10 IJEE Cc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)ccc1[N+](=O)[O-] 1871373488 JDVFYSNWOKQYII-NHDPSOOVSA-N 446.371 4.647 30 10 IJEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871377482 NATOKDPMBVWQBC-JEUHMODBSA-N 431.375 4.969 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)cc1 1871394698 LZBBCVFHGWCJJJ-MYYYXRDXSA-N 426.516 4.633 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Br)cc2C)[nH]c(N(C)C)n1 1871569111 BWQJPGHNWFMGDU-UHFFFAOYSA-N 435.414 4.946 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872488601 IWYFHJJLWJWPEE-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1OC 1872761878 XXVAQTXSZYYAFC-KRWDZBQOSA-N 444.516 4.877 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2cc(C)ccc2OC)cs1 1872771631 YEZQHNGIEOILII-GOSISDBHSA-N 434.517 4.947 30 10 IJEE Cc1sc([C@H](C#N)C(=O)CN2CCC[C@H](C)C2)nc1-c1ccc(Br)cc1 1872800242 PCLZJGZCAVVRGC-SUMWQHHRSA-N 432.387 4.789 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(Cl)cc2OC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203172 CIYIGSIABFHOTD-UHFFFAOYSA-N 447.922 4.826 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc(OC)c1 1874241228 VJJAQMNKDCFCQQ-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccco1 1874288663 CYUVUVJDLRPNFX-ZMOGYAJESA-N 438.484 4.772 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccncc1 1874312630 DWXHHWBFICTGDF-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874324853 VUMJKJDVEZZUED-LPYMAVHISA-N 425.514 4.766 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(OC)cc2)o1 1874427997 MITZFCHCUKOKNP-ZVHZXABRSA-N 448.504 4.508 30 10 IJEE CCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc2ccccc12 1874508026 IQRGSKDCVQJDMM-PCLIKHOPSA-N 435.597 4.807 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C(C)C)cc1 1874514409 WYVPBHJZCPVNEW-BUVRLJJBSA-N 443.617 4.614 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(S)nnc1CCCOc1cccc(C)c1 1874567100 FOZNKVDLOPXRML-PCLIKHOPSA-N 432.549 4.931 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1 1874613561 ASBWAAZWGLCTRE-VZUCSPMQSA-N 439.895 4.923 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1OC 1875098369 FYAIOERKJSVSCJ-QPJJXVBHSA-N 438.867 4.571 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(O)CC1)n2CCC 1875205424 OBMYJBMHLJEOAK-UHFFFAOYSA-N 443.636 4.991 30 10 IJEE CC1(C)OB(c2ccc(Cl)cc2NC(=O)CCCOCc2ccccc2)OC1(C)C 1997698012 DXQHOKWRIDXRSJ-UHFFFAOYSA-N 429.753 4.575 30 10 IJEE CC#CCCCC[C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2019509235 KWXGWKYNNFGURN-QHCPKHFHSA-N 428.617 4.881 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1ccc(F)c(F)c1 2033813884 JKUKNGJITKXZKU-IBGZPJMESA-N 427.428 4.510 30 10 IJEE C[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(/C=N/O)c1I 2079079407 SJJNNTVYZMZXJI-KPCMJMSPSA-N 449.214 4.801 30 10 IJEE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079959884 YTTOMAAYVODDHZ-GOSISDBHSA-N 435.309 4.805 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn(Cc2ccc(C(F)(F)F)cc2F)c1Br 2080227080 ICRRRKVVRQKULU-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CC1(C)OB(c2cnc(Oc3ccc(F)cc3Cl)c(Br)c2)OC1(C)C 2115997012 WXGHFDAPKQYMEZ-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE Cc1nc(N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2116073032 LMGCSMZPQWNNIS-GGAORHGYSA-N 436.405 4.509 30 10 IJEE C[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cscc1Br 2130076856 CFJJAJWHRBLUMU-SWLSCSKDSA-N 444.395 4.665 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)cc(C#N)c2)Cc2ccccc21 2174767483 KMQBXQIJXMRZDX-LJQANCHMSA-N 428.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]23CCC[C@]2(C1)CN(c1cccc(Br)c1C#N)C3 2174816011 ZBCLQCDFLHQPEQ-NHCUHLMSSA-N 432.362 4.548 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)ccc1F 2224080893 OORGKGYSAZSVGU-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)C#Cc1ccccc1Br)C(F)(F)F 2227472109 LBUKLHDGFLJYCF-HNNXBMFYSA-N 434.252 4.558 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](O)C#Cc1ccccc1Br 2232064540 ZKTMISIANOPZEI-SJORKVTESA-N 442.419 4.587 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2235748283 YCHZAPHNLSEPJG-RTBURBONSA-N 433.390 4.711 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)C2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2249322810 FNDVHSRMQQPZCM-VUFQOXLZSA-N 447.498 4.761 30 10 IJEE Cc1cc(C(=O)NCc2cc(Cl)sc2Cl)sc1B1OC(C)(C)C(C)(C)O1 2282684567 SIABNPQIEKHNJQ-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCF)([C@H](N)C#Cc2cccc(Br)c2)CC1 2296227041 LJSTWZKCOWHHMR-GOSISDBHSA-N 439.369 4.505 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CN(CC1CCCC1)C(=O)OC(C)(C)C 2296230165 QPHVLTDRGNOINU-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1[C@@H](CC)CCN1C(=O)OC(C)(C)C 2296290780 HNNKSOFSGWLWAC-DFQSSKMNSA-N 435.406 4.814 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@@H](N)C#Cc1ccc(Br)cc1)C2 2296309388 VHLABDMKUSVWMQ-WHYIANOMSA-N 433.390 4.602 30 10 IJEE O=C1C(=Cc2cccc(Cl)c2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 2296641272 GEHSJSAEJITCGL-UHFFFAOYSA-N 430.840 4.863 30 10 IJEE COc1ccc2c(c1)OC(=Cc1ccc(OC(=O)C=Cc3ccccc3)c(OC)c1)C2=O 2314527231 KXGWGJQGPSSJHA-UHFFFAOYSA-N 428.440 4.939 30 10 IJEE C[C@@H]1[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317350050 MWQUMYAGTROANL-AEFFLSMTSA-N 430.354 4.503 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2N=Cc2c(Cl)cccc2Cl)cc1C 2321229927 DNJURIKDOSPJMT-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE Cc1ccc(S(=O)(=O)NN=Cc2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1C 2323399665 KGMKUVGTMCYVSB-UHFFFAOYSA-N 429.369 4.957 30 10 IJEE O=C1C(=CC=Cc2ccccc2)Oc2c1ccc(O)c2CN(CCO)Cc1ccccc1 2324009873 NEORCUFQZHUVMI-UHFFFAOYSA-N 427.500 4.559 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2325382826 GKUSPDICVVGXSE-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)cc2)C3=O)s1 2325442007 UURPRPANDNSNNN-OAHLLOKOSA-N 449.532 4.740 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCCc4ccc(OC)cc4)ccc3C2=O)cc1 2325631258 VKWMWRQJYVTEMV-UHFFFAOYSA-N 430.456 4.720 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 2325753270 OVVTXBMMDOBEAL-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2N=Cc2ccccc2)c(C(C)(C)C)c1 2325906178 CSRJDVHTYODFRC-UHFFFAOYSA-N 438.597 4.820 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2327552033 CJRRGCLFGQARER-UHFFFAOYSA-N 442.928 4.759 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Cl)c(Cl)c1 2330726818 JBBBJMKTKRHHKF-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(F)(F)F 2331129993 VKTJLHUSHDJHFS-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CC(C)(C)c1nnc(SCCO)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331414555 OVKFCATZXDCASK-UHFFFAOYSA-N 444.988 4.775 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1cccc(Cl)c1)Nc1ccccc1 2331485528 DIVANGBHVAPXKM-UHFFFAOYSA-N 425.945 4.812 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)Nc2cccc(C)c2)nnc1C(C)C 2331682965 ZRSSEEQFTPKZMB-UHFFFAOYSA-N 449.580 4.888 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1cc(Br)cc(OC2CC2)c1 2337521282 RFTHFEVWDHGVLJ-ROUUACIJSA-N 425.367 4.850 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CCCN(Cc4ccccc4)CCC3)nc2)OC1(C)C 2339539746 MGSCJRQTPJISSJ-UHFFFAOYSA-N 433.405 4.829 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339545469 WRMSPFPNXINQJY-HOYKHHGWSA-N 441.381 4.538 30 10 IJEE CN(C[C@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1)C(=O)OC(C)(C)C 2339602264 IBBBCYCPUDFOCP-KDURUIRLSA-N 444.381 4.751 30 10 IJEE CC1(C)OB(c2cc(Oc3cc(F)c(Br)cc3Cl)ncc2F)OC1(C)C 2372002112 CZBBTMNQZJQFJI-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1)C(=O)C(C)C 36049625 YXXXEFFGPBXCJP-UHFFFAOYSA-N 436.943 4.802 30 10 IJEE O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCCCO3)n1ncnc1N2 72460253 ODZLFAMMXUOPNE-QMHKHESXSA-N 448.910 4.509 30 10 IJEE CCCOc1c(Cl)cc(/C=N\n2c(S)nnc2Cc2ccccc2)cc1OCC 169911666 DJWQCOCKEFFGMK-UCQKPKSFSA-N 430.961 4.881 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)c1 170054928 FBRVJBUBOYEVFK-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cn1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C2CCCC2)c2ccccc21 170085739 RCOGHERYJTYGQI-QFIPXVFZSA-N 445.475 4.607 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1OC 170091827 VAOUBBBSSDCPMN-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170103060 AXJRPHIEQONIBD-LJQANCHMSA-N 440.496 4.621 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)cc1 170114568 KSULDLQRROHJNL-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2F)cc1 170249302 ATGFBWRNQCNHJA-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2CCOC)cc1 170264845 XEGJOZWSBKQHAT-HSZRJFAPSA-N 437.536 4.606 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cn(C)c2ccccc12 170269610 KIDAAZVDAJSPFG-HSZRJFAPSA-N 432.520 4.954 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305306 UXHXAYPBBAWWFM-WNSKOXEYSA-N 440.455 4.566 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(O)cc1)c1ccco1 170341739 GDWSYHPHBNYHKX-SFHVURJKSA-N 429.350 4.787 30 10 IJEE CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O 229295549 CQTZRWVVIICKOU-PTHMFHIQSA-N 425.554 4.728 30 10 IJEE COc1cccc([C@@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2ccccc2Cl)c1 439839725 WPNAONLLBBTGPK-LJQANCHMSA-N 439.924 4.562 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCOc2c(Br)cccc21 507776366 CURLGPASTUWVLU-IBGZPJMESA-N 431.330 4.679 30 10 IJEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 508725012 WTKIDDBPGHVZSO-GOSISDBHSA-N 439.585 4.509 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 508959518 GCWGXPGGIRHTHG-KRWDZBQOSA-N 448.036 4.541 30 10 IJEE O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(OCC(F)(F)C(F)F)nc1 511493046 LOGLTAFQJHNNAO-UHFFFAOYSA-N 426.288 4.554 30 10 IJEE COc1ccccc1Nc1nc2sc(C(=O)NC3(C#N)CCSCC3)cc2s1 540492561 MDRSVMUCXWLKTR-UHFFFAOYSA-N 430.580 4.629 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 549266254 NAMMCPPJNOGROE-MZLICYQSSA-N 442.629 4.618 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 555274612 YJJAEPLIXLGWEF-UHFFFAOYSA-N 443.595 4.903 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(OC)ccc1Br 698373841 KMBBTNROMNHHEM-GOSISDBHSA-N 440.382 4.601 30 10 IJEE C=C([C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C(F)(F)F 705476555 BRBAWNREWQMXBM-QXAKKESOSA-N 430.511 4.972 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(Br)ccc1I 709485933 CDTDFCHHLNSCDR-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1=S 744440329 KTULSTDZDOTMKC-UXHICEINSA-N 432.037 4.825 30 10 IJEE CCCCCCCOc1cccc(/C=C/c2nc(O)c3cnn(-c4ncccn4)c3n2)c1 746521194 XDWHRTVXSLFAEJ-VAWYXSNFSA-N 430.512 4.831 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2CCC[C@@]3(C2)OCc2ccccc23)c1=S 774706390 UPHQWDWSFOBKOU-VWLOTQADSA-N 448.592 4.658 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(O)(c2ccccc2C(F)(F)F)CC1 800784442 JHXCJUWNSYKEQT-UHFFFAOYSA-N 446.473 4.848 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 804560213 WMVPNANBRUDKBV-UHFFFAOYSA-N 426.561 4.707 30 10 IJEE O=C(O)c1cccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 1084344724 QPCRCAOUYNRAKZ-UHFFFAOYSA-N 425.452 4.503 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CC)[C@H]1CCCc2ccccc21 1134094080 XLVCENUAJRBNID-QHCPKHFHSA-N 444.604 4.905 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(C)c(Cc4ccc(C)cc4)s3)n[nH]2)c1C 1136311606 WMJLYKMSGKWBOB-UHFFFAOYSA-N 446.580 4.992 30 10 IJEE CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1nc(O)c(C#N)cc1C 1139048196 BFLJJYBAMDCBCR-UHFFFAOYSA-N 442.730 4.859 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCOc1ccc2ccccc2c1 1150585167 RPUNZPSGECCFDQ-HXUWFJFHSA-N 432.948 4.761 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1OC 1157347825 WKDWXZYLYVZZIH-STISFXCESA-N 436.335 4.820 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 1158345665 PKWFGMPVKJLCDM-MOPGFXCFSA-N 435.549 4.565 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCN(c3cc(OC)cc(OC)c3)CC2)cc1OC 1180225611 UEDFSMRNUYLSEB-UHFFFAOYSA-N 446.975 4.643 30 10 IJEE Cc1ccc([C@H](CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)N2CCCC2)cc1 1186158216 DJEMYZHBWCWQAD-NRFANRHFSA-N 439.606 4.505 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)c1ccc(F)c(F)c1 1189412950 POWPUJRVAAMTFY-CQSZACIVSA-N 426.794 4.628 30 10 IJEE Cc1nc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)sc1Cc1ccccc1F 1205223873 GMSMMMFSROSDIG-FQEVSTJZSA-N 436.512 4.659 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 1216744178 ZFYYRHLOXYMPRB-UHFFFAOYSA-N 436.515 4.932 30 10 IJEE Cc1cc(NC(=O)NCCc2cc(Cl)ccc2Br)c(C#N)cc1N(C)C 1219021634 BMRSXIKXCKFLHA-UHFFFAOYSA-N 435.753 4.713 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 1221624897 GXUBGRLBIGKFAK-HSZRJFAPSA-N 427.976 4.501 30 10 IJEE C=C[C@H](CC(=O)N[C@@H](CC(=O)OCC)c1ccc(Br)cc1)c1ccccc1 1267115796 PJPPAQGUUUPCMM-UZLBHIALSA-N 430.342 4.920 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccncc1Cl 1286279553 WDHXZBSQSPUVPZ-GJZGRUSLSA-N 430.339 4.626 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCCC[C@H]1C 1286281597 IJZOWTGYGUEKPM-ZWKOTPCHSA-N 431.987 4.850 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(C)nc1 1286400694 JQPXGOJYVOHXAZ-UHFFFAOYSA-N 431.952 4.638 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(C)C)CC1 1286553843 VUWDELXHTRZJDS-IFMALSPDSA-N 444.023 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1286667435 LEOMCOVRMARQDT-KRWDZBQOSA-N 432.012 4.740 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(=O)N(C)Cc1ccccc1 1286718681 RYELPUPZUSTHHU-UHFFFAOYSA-N 449.624 4.556 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1Cc1ccccc1NC(=O)OC(C)(C)C)C1CC1 1286733611 DWSFWAWJQKJQHH-UHFFFAOYSA-N 446.555 4.890 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1286744458 JCFHPXQVHRXYGT-UHFFFAOYSA-N 449.643 4.852 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1286745251 RODZDBZOGTVAGR-FQEVSTJZSA-N 445.583 4.722 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)COC)C1 1286802804 WIIVRYYAVOCDPH-HKUYNNGSSA-N 444.645 4.585 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)CCCN1C(=O)OC(C)(C)C 1289672169 AHKOURKFQUGHDA-RUZDIDTESA-N 447.539 4.909 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 1293501996 FCICNQJPSWMKDU-ROTAYESASA-N 446.613 4.513 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(F)c(Br)cc1C 1296720437 NSHGUDPBMDMXOG-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)C1 1296991102 FXKNXWAIJZSDBR-NRFANRHFSA-N 425.577 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H](C)N1CCCCC1 1300284399 RHHCSGRDLBNQTN-SLFFLAALSA-N 439.673 4.854 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 1300361046 AHEANYBNKRLIRJ-NJYVYQBISA-N 441.620 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1csc(CC)n1 1300438255 JFURAFKLBHVVCG-UHFFFAOYSA-N 427.986 4.950 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C/C=C/c1ccccc1 1300517110 XVSIHVIIGSOYTF-DHZHZOJOSA-N 437.366 4.555 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(C)CCO[C@H]1C1CC1 1300602126 OCMCJCKGXHNOPB-CHZKFRDHSA-N 436.600 4.700 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C)CC1 1300643459 QPSDUFJZKHJJHA-UHFFFAOYSA-N 442.336 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCOCC1CC1 1300786539 GMGLQNKGZGGQAT-HOYKHHGWSA-N 442.991 4.880 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1300981402 ZUAIRHPCVXHYJV-PMACEKPBSA-N 440.588 4.572 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](SC)C(C)(C)C)CC1 1301095749 NVGVABWLLUJPCJ-FQEVSTJZSA-N 430.618 4.800 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCO1)C1CC1 1301317107 OQAHQNMNBZYPOJ-GOSISDBHSA-N 431.378 4.740 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCCC[C@H](SCC)C2)cc1 1301525431 HVIWMOIBDWIPGW-UNMCSNQZSA-N 442.629 4.507 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCC2(C)C)C1 1301547389 ZGJROJYTPZOXLA-ICSRJNTNSA-N 440.588 4.570 30 10 IJEE CCOC(=O)[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(C)c1C 1307826054 DWQSXKFNERDBRQ-SBUREZEXSA-N 439.581 4.530 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccccc1 1312936093 FXOVOHJQYCRGSW-SFTDATJTSA-N 440.469 4.809 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)cn1 1313513386 FDTIOJHKPMGTNE-OALUTQOASA-N 430.556 4.674 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OC2CCCC2)ccc1Cl 1348330508 ONTFATFXMKXDJQ-UHFFFAOYSA-N 437.920 4.960 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(C)n(-c3ccccc3Br)n2)c(OC)c1 1348599958 HXWZCMHKCJSWTE-UHFFFAOYSA-N 427.298 4.900 30 10 IJEE CC#CCCCC(=O)Nc1sc(Cc2ccc3c(c2)OCO3)c(C)c1C(=O)OCC 1349304732 GPMBHDVPGWKRRV-UHFFFAOYSA-N 427.522 4.685 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 1358899993 YTAAJVKAGXBOPF-YCRPNKLZSA-N 447.029 4.651 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C2CCOCC2)C1 1358907879 DZJQWRDAJNDHJO-IBGZPJMESA-N 442.991 4.664 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1358909927 XBIOCRMLKOLQDS-ISKFKSNPSA-N 429.568 4.748 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@](C)(CC)O1 1359004994 RDWRAKGIVZDXOP-NLFFAJNJSA-N 440.588 4.548 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCC1CCC(OC)CC1 1359014504 LGDODXNTDGGGIF-UHFFFAOYSA-N 426.630 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1OCCC1(C)C 1359064439 SIZFPNGWJNUZIK-UNIVCBNLSA-N 436.600 4.842 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](CCC)C1 1359127857 CEYIFLLERIVJQL-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](c2ccco2)N(CC)CC)CC1 1359166717 FBLRXPTUIPNDDC-JOCHJYFZSA-N 449.599 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1359184951 GSMPMLIXXQYSSY-IBGZPJMESA-N 427.593 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359185335 SQZPSNMLWAYNRB-FQEVSTJZSA-N 448.596 4.762 30 10 IJEE C=CC[C@@H](Cn1c(N(C)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1359196064 WWFNEFJXWWOPRV-PCCBWWKXSA-N 439.604 4.865 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 1359196207 ZJWJVKHEVIKMKL-BBTUJRGHSA-N 437.613 4.607 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1C[C@H]1CSCCS1 1359254758 CAJCCBHAASDIPM-NRFANRHFSA-N 444.670 4.986 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1CCC(F)(F)CC1 1359256052 STPQTKZPSJIZRN-UHFFFAOYSA-N 449.509 4.625 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(CC)s1 1359279871 WFSLDDMSOWNSBZ-UHFFFAOYSA-N 433.581 4.804 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ccc(C)cc1 1359282877 VTPHIGNXYBLITB-MDNUFGMLSA-N 440.632 4.948 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1Br 1359340159 DBNOJHIBZXJPRD-UHFFFAOYSA-N 444.402 4.658 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCCC1CCOCC1 1360740033 ATUXZIPXJOHFDR-GOSISDBHSA-N 441.551 4.504 30 10 IJEE C=CC[C@@]1(C(=O)NC/C=C\c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1436449818 PMGIWKZUMKJQFA-QGHLFXPHSA-N 449.389 4.924 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)CCCN1C(=O)OC(C)(C)C 1439536093 MBMMMQDLIMDQSO-VWLOTQADSA-N 447.539 4.705 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 1440716143 ZDYPMNVHNQWNKG-RTBURBONSA-N 446.979 4.529 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc1Br 1445151490 FLQMLRFQHIUTOH-UHFFFAOYSA-N 437.293 4.544 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(C(F)(F)F)cc1 1458169977 BBQVNBOJEWCKOD-SFHVURJKSA-N 445.401 4.632 30 10 IJEE C=CCN(CC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 1458282170 RPKKRBLBWQWDSU-UHFFFAOYSA-N 435.590 4.732 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@H]2c2ccc(F)cc2)s1 1460136787 FKCFRCJMZNISLC-INIZCTEOSA-N 426.966 4.578 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccsc2C(F)(F)F)nc1C 1464907631 MJIHZKCLZAGNEK-UHFFFAOYSA-N 431.490 4.517 30 10 IJEE Cc1cccc(Oc2ccccc2NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1465098691 DTXLQPFFALLUCX-QHCPKHFHSA-N 440.503 4.976 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)nnc1-c1ccc(C(C)(C)C)cc1 1472647754 WIJGHKZKXIWXSR-UHFFFAOYSA-N 437.525 4.587 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NCc2cc(Br)c3c(c2)OCCO3)n1 1474085016 DAIUTCGGRBVAKH-UHFFFAOYSA-N 445.704 4.543 30 10 IJEE C#CCN(Cc1cn(C)nc1-c1ccc(C)o1)[C@H]1CCOc2ccc(Br)cc21 1474386288 OBKYVFMYIJJKND-IBGZPJMESA-N 440.341 4.710 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1)c1ccccc1 1479189553 OOWUKEIPWQLJFM-DHLKQENFSA-N 449.595 4.714 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1Cc1sccc1C 1504873003 ADHZOJGHIGVZMQ-UHFFFAOYSA-N 437.613 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCn2cc(C)nc21 1507525276 AFFDEBYHLHLITQ-CVEARBPZSA-N 443.382 4.792 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OCC=C)cc1 1507606117 AHFKQELSWIREQM-UHFFFAOYSA-N 432.593 4.958 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCCOC(C)C 1507764397 LXWAFWVJMLBWHL-NTKDMRAZSA-N 428.552 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(C)OCCc2sccc21 1507819186 OZWQJKMLWRLIFF-DEOSSOPVSA-N 438.597 4.906 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H](O)C1 1508009384 PJHPURIWEWGUFZ-CTNGQTDRSA-N 433.581 4.622 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)CNC(=O)OC(C)(C)C 1508012680 BXLUXMLSKJKNFC-QGZVFWFLSA-N 445.995 4.938 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)(C)C 1519835879 DDVOARHTRSVHQY-LPHOPBHVSA-N 427.618 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 1524514655 LKEISWDMKFZKJP-YWZLYKJASA-N 433.335 4.957 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)c(C#N)c2[C@@H]1C 1527534216 DGYVQQPBHFEIGY-JHJVBQTASA-N 429.492 4.575 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O 1528000981 NVMIFOUICXCJLU-HNNXBMFYSA-N 429.314 4.544 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c1 1528555439 HNRKKBBAIOJKDC-PBEJRMEISA-N 444.984 4.640 30 10 IJEE C=CCCCC(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1529959747 LYMUDIOQBZUYLQ-HTAPYJJXSA-N 435.973 4.990 30 10 IJEE C=CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccc(C(F)(F)F)cc1 1534432940 FNIVPPJSRURVIN-KRWDZBQOSA-N 436.386 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CC(OC(C)(C)C)C1 1538982375 FBOMQXFGQCZPCB-VXESANQCSA-N 446.542 4.988 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(C)(C)c1cccs1 1539360144 ZILPBYFFMZLWBV-UHFFFAOYSA-N 438.597 4.851 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCC1(C)C 1539395217 AGVWQOFMUOTQDV-RTBURBONSA-N 445.007 4.984 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc(C)c(C)s1 1539567018 RUEHVPSRLPSXKS-XMMPIXPASA-N 435.597 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC)CC1 1539622936 IXSQFYSVZAWMHK-XXBNENTESA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1nnc(C(C)(C)C)s1 1539677389 AKRBLDISXXVPNX-UHFFFAOYSA-N 444.580 4.596 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCCCC2)C1 1539729935 ULWRCMIAMHSLNV-UHFFFAOYSA-N 448.409 4.789 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCCC2CCOCC2)CC1 1539859418 OUOPLHPORIMSAM-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2cccs2)N(C)C)CC1 1539882525 NMOJYPKIFZCOPS-GOSISDBHSA-N 443.020 4.760 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC[C@H](O)C2)CC1 1539896050 GHPPOUXLDMWJFU-PMACEKPBSA-N 442.629 4.533 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC[C@@H]1C 1539986075 SVVBCVYHWVHGPA-ZDUSSCGKSA-N 425.758 4.552 30 10 IJEE C=CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1540102691 QCMOYHKRDVJHTN-PMACEKPBSA-N 437.632 4.865 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1Cc1ccnc(C(F)(F)F)c1 1540121643 LNVPQZPJDSFDLZ-UHFFFAOYSA-N 438.457 4.682 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CC1(O)CCCCCC1 1540135807 BDDPAAAQXFEKCZ-NRFANRHFSA-N 442.579 4.589 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](C)Cc1cccs1 1540142210 JMPXDKYHYXXPJA-QGZVFWFLSA-N 436.610 4.930 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1nccs1 1540180207 JOLXICPQCWEUQC-LJQANCHMSA-N 432.597 4.779 30 10 IJEE CC(C)N(C)CCn1c(CC2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1541607856 ADKDRAPPNNYSPC-UHFFFAOYSA-N 432.616 4.516 30 10 IJEE C#CCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1543419070 XWNKCMPXLPUDOH-VWLOTQADSA-N 430.548 4.614 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)C(F)(F)F)cc1 1544661285 FELGTQRKAJYKDI-LJQANCHMSA-N 429.394 4.524 30 10 IJEE N#CCC1CCN(c2nnc(CC3CC3)n2CCc2cc(Br)ccc2F)CC1 1555993742 DFJAQERPCHVMRC-UHFFFAOYSA-N 446.368 4.505 30 10 IJEE C=CCCC1(CNC(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CCCC1 1557475270 LQPMTSCXDLCGEJ-VWLOTQADSA-N 434.621 4.562 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccc(C)cc3)C2=O)nnc1-c1ccc(OC)cc1 1559321282 KQVODWUMJYIPCC-OAQYLSRUSA-N 434.565 4.736 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CCCCC1 1562111684 RDELZKWGIBNYPM-RTBURBONSA-N 433.618 4.754 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(Sc2ccc(OC)cc2)ns1)c1ccc(Cl)cc1F 1562895937 XKNFXENCZIRTKK-INIZCTEOSA-N 448.932 4.986 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2csc(Br)c2)C2CC2)c(OC)c1 1583105770 IFAYGIRNASROLQ-UHFFFAOYSA-N 436.371 4.818 30 10 IJEE COc1cccc(Cn2ccc3ccc(NC(=O)[C@H](C)Oc4ccc(C#N)cc4)cc32)c1 1583998491 BJSGAUNWDIVQEX-SFHVURJKSA-N 425.488 4.976 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1587712189 OWMNAURTXQFMEB-BEFAXECRSA-N 449.368 4.511 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(O)(CCC)CCC)CC1 1594208475 IZGAIJIQWWITPF-UHFFFAOYSA-N 427.549 4.587 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(C)(F)F)c2)CC1 1594409276 VGSFWPGNXBUORU-UHFFFAOYSA-N 440.542 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1nncn1C 1594460710 AQEHBYFQCDRNBK-GOSISDBHSA-N 425.968 4.671 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1594497583 JKUPNAFAVSTLHN-MOPGFXCFSA-N 442.608 4.665 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1594617439 ZTHIWNXLQOFUFN-UHFFFAOYSA-N 432.616 4.876 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1594668254 GUXPBUNODUCVNK-QGZVFWFLSA-N 430.512 4.835 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@H](OC)[C@H](OC)C1 1594698038 JATHKDDCZNDCDF-KDURUIRLSA-N 442.560 4.629 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1594986121 PSVJIBBVNHWWCJ-WOJBJXKFSA-N 434.632 4.729 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cccc(C(F)(F)F)n1 1595009624 JCORNUXDVCSTIG-UHFFFAOYSA-N 433.503 4.963 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CC 1595099840 JQISLFCGPRZESV-UHFFFAOYSA-N 431.588 4.640 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1597008586 XNGVDSXHSYBFQL-ILBGXUMGSA-N 426.988 4.802 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1nc(-c2cc(Br)cs2)no1 1598326960 FMAHVDDKWSXUJQ-LBPRGKRZSA-N 445.342 4.584 30 10 IJEE C=CCC(CC=C)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(=O)OC(C)(C)C 1598441624 CNEIOXXOCBXAOV-LJQANCHMSA-N 442.556 4.950 30 10 IJEE C=CCn1c(SCc2cccc([N+](=O)[O-])c2Br)nc2ccccc2c1=O 1613240901 HFLJQOMGWUVQGZ-UHFFFAOYSA-N 432.299 4.546 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)C(C)(C)C)nc2scc(-c3ccccc3)c2c1=O 1613283373 DDHXIQHMXJJSBV-QGZVFWFLSA-N 428.579 4.991 30 10 IJEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCCCC1 1613385646 AYNQFNVSUJBMHT-IBGZPJMESA-N 425.577 4.560 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)c1ccccc1 1617945279 LDUBIGJPTFABFO-FQEVSTJZSA-N 436.581 4.582 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)s1 1627976480 HOJHSKJSOKXFMH-OAHLLOKOSA-N 436.986 4.931 30 10 IJEE C=C[C@H]1CCCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1636821871 KWEHGNRQSFUCNN-PWRODBHTSA-N 431.552 4.669 30 10 IJEE C#Cc1cccc(CNC(=O)CN(CC)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1639154407 FHFJYQTYXCZOJL-UHFFFAOYSA-N 438.527 4.555 30 10 IJEE C=CCn1c(Sc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)nnc1-c1cccc(Cl)c1 1639673553 OQEZAZKRIOSNDE-UHFFFAOYSA-N 444.826 4.596 30 10 IJEE C=CCn1c(SCC[C@H]2Sc3ccccc3NC2=O)nnc1-c1ccccc1F 1640706001 HVWFKMUAFMHOKX-GOSISDBHSA-N 426.542 4.865 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)ccn2)nc2sc3c(c2c1=O)CCCCC3 1643346798 KFTGVQQCXFUUKR-UHFFFAOYSA-N 425.579 4.591 30 10 IJEE Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 1649399102 ASJSGOYSXBLWMB-GOSISDBHSA-N 436.581 4.816 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1ccncc1Br 1651367445 WZVVPMVUDYORDU-NSHDSACASA-N 429.236 4.919 30 10 IJEE CCN(CC)C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C1 1652591668 HGTAXDGJJRPNFE-OALUTQOASA-N 444.689 4.763 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(Br)cc1Cl 1655626550 RXZSUUSGNJDCTL-KRWDZBQOSA-N 428.779 4.709 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1656081969 RGIJOGYMXIWYKR-HXUWFJFHSA-N 444.959 4.716 30 10 IJEE C=C(CC)CSc1nc(C[C@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1656224513 IIHLYKOLYNBNLV-YESZJQIVSA-N 428.602 4.585 30 10 IJEE C=CC[C@H]1N(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CCCC1(C)C 1658465992 GXBIIEJTGLJANW-HSZRJFAPSA-N 434.584 4.980 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)C[C@H]2CCCC2(F)F)c1 1661061115 SNLMPIGDSDNJSJ-QGZVFWFLSA-N 436.476 4.626 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cn(Cc2ccccc2)nc1C(C)(C)C 1664630341 GAYRXEKIOROVEJ-UHFFFAOYSA-N 429.612 4.664 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1)C1CSC1 1667429157 JLYURXOIFXWNGB-UHFFFAOYSA-N 431.355 4.611 30 10 IJEE COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1671685839 FQVJSEXAZGCRHD-OAHLLOKOSA-N 440.569 4.808 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 1673582335 XBCFFKYYFVELEJ-MDNUFGMLSA-N 427.589 4.606 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C#N)cc1I 1674845837 OTIKHXBLTQPZPG-UHFFFAOYSA-N 435.240 4.522 30 10 IJEE COC(=O)c1nc([C@H]2CCCN2C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)sc1C 1677754325 FUGBGVYTFBNOHU-MRXNPFEDSA-N 442.541 4.656 30 10 IJEE CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1678153934 BBPDTWLLZFNSGA-VXKWHMMOSA-N 448.615 4.632 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)CC1 1679470265 DHTMWEIGTSKVHJ-SEPYTNNBSA-N 426.944 4.938 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)C[C@H]1CCC 1680699209 BLRLDHNQJYTUME-UIFIKXQLSA-N 439.522 4.687 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCC1 1681084857 JBRYXSZSFBMWEA-LEWJYISDSA-N 449.636 4.617 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(Br)cc1 1682357334 XFVBXVGZDTXTIX-GOSISDBHSA-N 426.289 4.512 30 10 IJEE C#C[C@H](NC(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1)c1ccc(Cl)cc1 1683675630 DGBNOFWFHIJCJV-QFIPXVFZSA-N 432.955 4.994 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1683689800 SVUKMOPLPYGATM-WIYYLYMNSA-N 442.922 4.539 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc(F)c(Br)cc1F 1684483936 IMLZYHAUQJQRHL-UHFFFAOYSA-N 441.320 4.793 30 10 IJEE C=CCC1(NC(=O)N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1685062773 MZMKNZJOHGTYPV-QFIPXVFZSA-N 426.582 4.676 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 1686427574 UGGDTYHEWYGZNJ-FQEVSTJZSA-N 444.373 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCc1sccc1C 1689837768 MSRYSSKDDAZUQU-OAHLLOKOSA-N 429.387 4.778 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCC(F)(F)F 1690032394 AOOVULKRJYGVOS-INIZCTEOSA-N 438.881 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1(SC)CCC1 1690037236 RGMGGXAEIVOJLN-UHFFFAOYSA-N 449.443 4.518 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1sc(C)nc1C 1690061150 RXGIGRNDSIMAAG-UHFFFAOYSA-N 444.608 4.934 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690177192 MTFSMPYMYWRLOD-MRXNPFEDSA-N 442.938 4.667 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)CCCc1ccccc1 1690230497 GFDSAROQSXZHHZ-UHFFFAOYSA-N 446.418 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690260465 LYOXGQUEXGEBSN-RTBURBONSA-N 446.039 4.889 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690457570 ZLPXJLYWIKYCHI-HXUWFJFHSA-N 448.571 4.565 30 10 IJEE C=CCCCCn1c(N2CCSC3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690469736 ZWJYXGLZEUJGAK-HSZRJFAPSA-N 434.650 4.543 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC1CCCC1 1690480456 JGWCOIVDFXRHCL-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1ccc(OC)nc1OC 1690565373 IEJGMTLUUQOYMB-UHFFFAOYSA-N 435.572 4.520 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)s2)C1 1690691255 ATJLONHRHGWFJY-CQSZACIVSA-N 436.368 4.538 30 10 IJEE CCCC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1695131272 ARCCRPMWPQEBHB-MSOLQXFVSA-N 430.597 4.669 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1696388216 DHWIKPZBJLRSHD-RBUKOAKNSA-N 429.515 4.505 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCC[C@@H]1C 1705506004 QLSCTXLESYMLLC-MOPGFXCFSA-N 446.064 4.946 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1C[C@@H](C)O[C@H](C)C1 1705557018 OGNUWLYUZRGXTD-RTBURBONSA-N 445.007 4.525 30 10 IJEE C#CCSCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cccc(Cl)c1 1705665262 OKRUPDQYFRIAEU-UHFFFAOYSA-N 426.977 4.705 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1705693438 GPWMHRXZFQGQBY-QMMLZNLJSA-N 448.970 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1705704177 ZJBWNSKTCJJOMK-RDGATRHJSA-N 436.600 4.557 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1705783495 JLRNAAHTDWQVKM-UHFFFAOYSA-N 431.584 4.653 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1705786644 USHHCHBJIPGDLP-KRWDZBQOSA-N 445.583 4.510 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1705796715 JESMLVSJZITEAQ-JOCHJYFZSA-N 433.600 4.896 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC=CCO1 1705867366 MUGQLZVCQRPQAU-FQEVSTJZSA-N 440.544 4.595 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2sccc2[C@H]1CC 1705897778 UBBBSQBVOVOBSZ-PZJWPPBQSA-N 449.624 4.698 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C(C)(C)C)no2)C1 1705915503 DSGHPHRPGRSSHV-GOSISDBHSA-N 441.963 4.714 30 10 IJEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1709604328 ALNGHDXLGLCUPH-UHFFFAOYSA-N 440.661 4.661 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1coc(-c2ccc(C)cc2)n1 1722298436 ZZIZDNAVHPTXPZ-GOSISDBHSA-N 431.565 4.594 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)[C@@H](C)C1 1722451679 GITYKUYKVWKMCB-OALUTQOASA-N 433.625 4.811 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](CC)C1 1722452488 PHDCVABCFQRJCI-GOSISDBHSA-N 437.638 4.980 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cc(C)cs1 1722455558 LLCBFUXRMZFIAO-UHFFFAOYSA-N 447.029 4.980 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCn2ccnc21 1722517637 VXEOSDUYTRQKIO-SFHVURJKSA-N 440.979 4.687 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC(C(=O)NCCCCC)CC1)c1ccccc1 1722541655 OEOLLKRFRPKRRS-UHFFFAOYSA-N 435.616 4.782 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCCS2)CC1 1722569609 HPLNMCWQSQNZAG-IBGZPJMESA-N 428.602 4.698 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1722595984 ADDRMFRLDIGQCW-KOUHRCEDSA-N 430.543 4.869 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC(F)(F)F 1722621643 BCFLQZILVNDRGU-UHFFFAOYSA-N 447.505 4.944 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CCOc1ncccc1Cl 1722659728 ACDOXEWPKFQJAE-UHFFFAOYSA-N 427.911 4.615 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCCOC2)C1)C(C)C 1722666826 SAPJGCGIAIPMJQ-GJZUVCINSA-N 443.680 4.572 30 10 IJEE C=CCn1c(N2CCC[C@@H]2c2cccc(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691335 SDSZANVGSGLCML-QHAWAJNXSA-N 437.588 4.885 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCCC2)CC1 1722732166 HVIDRAYUSKQJFN-HSZRJFAPSA-N 439.673 4.804 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)CCOCC1 1731059984 AGUNPTCFXWEWHL-NQIIRXRSSA-N 439.629 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccnc(SCC)c1 1740533802 DOGNILCMVMAFCA-SJORKVTESA-N 439.560 4.570 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1740782330 NKECTJNOIQBFOS-APWZRJJASA-N 437.371 4.633 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1740789338 CHZMFKMZMQQHCB-CZTZKLFOSA-N 440.588 4.570 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=C(COC)CC1 1740815019 LAXZOQCMAXRZLI-UHFFFAOYSA-N 443.762 4.699 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccs2)N(C)C)CC1 1740827324 RRCHLPSXFVFQOI-HXUWFJFHSA-N 425.577 4.529 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1CSC)c1ccccc1 1740855619 NEBKBBFJELLABL-DHIUTWEWSA-N 433.625 4.956 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 1740905716 FWQDRZRSZSREQV-NPPFBWRTSA-N 426.536 4.693 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C)CCC2)C1 1740974229 CXUQIQIXWPMOEK-GOSISDBHSA-N 445.405 4.988 30 10 IJEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2C)s1 1742620275 HQSMQEFKNOIZOC-VQIMIIECSA-N 436.585 4.566 30 10 IJEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)[C@H](C)CC#N 1742656034 BDPZSTGJDSQHPL-GOSISDBHSA-N 449.603 4.507 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCC[C@H]1C 1748640914 YNRNXQBNYDDEFE-GVZBARQTSA-N 430.980 4.571 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](OCC)C1CCCC1 1748673351 FYQAPDCOCHOPKC-AVRDEDQJSA-N 429.008 4.966 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](c2ccco2)C1 1748738381 AHXBCTUROFIFGN-HXUWFJFHSA-N 434.540 4.741 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC=C(COC)CC1 1748739909 LHBFAVIPLPDJGL-UHFFFAOYSA-N 449.780 4.557 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1748856104 SAJOLGIZSPUWKC-YIXXDRMTSA-N 448.611 4.575 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1748936417 YLBWXMMALNKMJD-ZRZAMGCNSA-N 435.660 4.669 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCc1ccc(OC(F)(F)F)cc1 1749152958 JFUUZUKBWWYBSD-UHFFFAOYSA-N 431.462 4.884 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCSC2(C)C)CC1 1749343976 WYPYOLXBTKYGIF-HXUWFJFHSA-N 426.630 4.812 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1Cc1nc(C)c(C)s1 1749531413 KJSKSRZBQDUWHV-UHFFFAOYSA-N 441.564 4.526 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1749616276 UKAUWCIXVRZJRF-PZJWPPBQSA-N 439.604 4.747 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1749749765 PVGGRMJWOSJDPG-IRXDYDNUSA-N 448.658 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CC1CCCC1 1750492442 HJZFWHQJBBQMCF-FQEVSTJZSA-N 442.608 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(C)OCCc2sccc21 1760116529 QOLYTNGIJKHLGD-MWTRTKDXSA-N 441.000 4.530 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC(C)C)c1 1760123717 BDMMHVYPWUJPFW-UEVCKROQSA-N 438.616 4.738 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1760159156 XUCRVIGJLJVPTH-XZOQPEGZSA-N 436.600 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1C[C@H]2CC[C@H]1C2 1760209443 CRDWIGJMMGZSGS-NEWJYFPISA-N 430.596 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCC1 1760288602 HAUZGNSPWMZDNL-WZONZLPQSA-N 442.991 4.759 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760304400 SYIAIDDIMPNMGL-FQEVSTJZSA-N 437.357 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(C#N)C1 1760324615 LQUVTLOXNMCUGY-CVJWPJSTSA-N 449.599 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(C)C)C1 1760326489 WSOQGHGXVZKELT-FBLLAGFSSA-N 438.616 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccs1 1760327820 MKHZRHNRDFXGDN-CWJKEVGVSA-N 444.645 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(N(C)C)CCSC1 1760329631 GJXQQVWQWMCASD-ZJSXRUAMSA-N 427.662 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1CCC(OC)CC1 1760336836 KCAIBEGNIMFSRK-XPJNUEMQSA-N 440.588 4.788 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N(CC)CC)CC1 1760366524 BLXUQQKPWLFSHB-QGZVFWFLSA-N 435.975 4.620 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cc(Cl)ccn1 1760377738 LYEOFUJKONECLP-UHFFFAOYSA-N 427.339 4.788 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCCCC[C@@H]21 1760451749 RXRZRUXUURJMPA-GCJKJVERSA-N 430.543 4.899 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@H]1C(=C)C 1760484604 FDNDUJHBFYRAPG-OFVILXPXSA-N 447.558 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCOC1 1760486837 AZFBYKNPSBOZET-LJQANCHMSA-N 438.597 4.558 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)C1CCCCC1 1760492630 AJYPNRUUVZUNFA-AREMUKBSSA-N 433.600 4.947 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 1862379735 JLCLKJJLKCHEPE-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)cc1 1862433784 KTMLQKSJFCLCRZ-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE O=C(C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(O)cc1)c1cccc(O)c1 1862590251 FDRQVEGKPTWOOK-TVQFERKRSA-N 445.515 4.645 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(O)c1 1862650368 UJDMUYONISRSGP-HSZRJFAPSA-N 431.488 4.550 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOCC)c1 1862682124 LIAQQVMSQFZRMU-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)cc1 1862688029 SRKGWNOMYLXZIU-XMMPIXPASA-N 443.499 4.796 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(Cl)c3)=C(c3ccc(F)cc3)C2=O)cc1 1862768185 AOALMFJFRHRVGS-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOc2ccccc2)=C(c2ccccc2F)C1=O 1863647917 FFUZADBGKWUNJC-UHFFFAOYSA-N 438.543 4.935 30 10 IJEE C=CCNC(=O)c1ccc(Cn2cnc3sc(C)c(-c4ccc(C)cc4)c3c2=O)cc1 1865777472 CJVWSAWVXYNTEL-UHFFFAOYSA-N 429.545 4.706 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)c(C)c1 1867092740 WBUASGCGVNETAW-AREMUKBSSA-N 439.515 4.634 30 10 IJEE CC(C)(C)CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(Cc3ccccc3)n2)CC1 1868200681 BCOGJMCXVVACJS-UHFFFAOYSA-N 440.595 4.851 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2cccc(C)c2)cn1Cc1ccccc1 1870771312 DXXOGTNKQGKVHN-UHFFFAOYSA-N 444.575 4.837 30 10 IJEE C#CCOc1cn(CCCN(CC)CC)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871006102 PIAAHOJEDONOBS-UHFFFAOYSA-N 436.383 4.511 30 10 IJEE Cc1cc(OC(=O)Cc2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccccc1F)O2 1871374678 VZJUVUZQWRLTOT-NHDPSOOVSA-N 433.391 4.807 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871816768 JDTUNNHVIIVBCA-FQEVSTJZSA-N 428.598 4.850 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(F)cc1 1872102140 NMGVKLYTQJNMIJ-JOCHJYFZSA-N 443.544 4.681 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872441148 KWZBUHCGXXUDLP-FDDCHVKYSA-N 444.597 4.624 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872571550 JNEFRIXDQFDLLG-VGOFRKELSA-N 432.561 4.673 30 10 IJEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 1872761683 SNFXYBCZWJEJGV-FQEVSTJZSA-N 443.528 4.867 30 10 IJEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872766179 DCZGDRVPWOGANG-LERPRCHQSA-N 426.444 4.995 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2/N=C/c2c[nH]c3cc(Cl)ccc23)c(C)c1 1873500840 KVFSZXLQZSYPJS-KIBLKLHPSA-N 438.944 4.643 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCCc3ccccc3)ncnc21 1873607704 ZJJJLBYIFONFHH-UHFFFAOYSA-N 441.535 4.841 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874303147 KIAPTTOIJNSQRO-ZXVVBBHZSA-N 443.576 4.880 30 10 IJEE CCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874375214 LNHBJOHSCOBJST-ZVHZXABRSA-N 428.533 4.798 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2[C@@H]2CCCO2)cc1 1874448127 UPDIAHOLRWCHHZ-BTVXTAIASA-N 437.525 4.775 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(F)(F)F)cc1 1874458515 SAEMVFJUVYCFCN-OPEKNORGSA-N 447.486 4.835 30 10 IJEE Cc1ccccc1COc1ccc(/C=N/n2c(SCCCO)nnc2C(C)(C)C)cc1 1874485368 QTNVPZOVEAOAPX-PCLIKHOPSA-N 438.597 4.820 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2)c1 1874487214 GEVJUZYGZAHOOG-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(Cl)cc1 1874525191 BETRZQVZAIDGCK-FSJBWODESA-N 427.961 4.724 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OCc2nc(O)c3ccccc3n2)c1 1874580828 IAVXEZFSKJVIQJ-ACCUITESSA-N 442.471 4.828 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Br)c1OCCCO 1874627070 ATLCZJUYALQFCU-QPJJXVBHSA-N 441.268 4.783 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Br)c1OC(C)=O 1875122139 GFYWESALGJVEKP-QPJJXVBHSA-N 425.225 4.947 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cncc(C)c1 1875147862 PCTNWLIFGSXRIU-QPJJXVBHSA-N 445.471 4.675 30 10 IJEE N#Cc1cccc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 1890023791 COKRACWDTSOUCK-UHFFFAOYSA-N 427.348 4.558 30 10 IJEE C#Cc1c(F)cc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 1903075015 MGCZSBBRSLAEPG-HNNXBMFYSA-N 446.453 4.812 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)C1(CCOC)CCN(C(=O)OC(C)(C)C)CC1 1922069063 NMVJSOUHYDWPHQ-HSZRJFAPSA-N 446.632 4.791 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H]1NC(=O)OC(C)(C)C 1943913828 WRDDBIZGXRDIHR-FDDCHVKYSA-N 431.533 4.776 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCN(Cc2ccccc2)C1 2003427276 LHVHIXWZWCHGNK-RUZDIDTESA-N 428.621 4.514 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCB3OC(C)(C)C(C)(C)O3)C2)CC1 2044523621 XMVSHXXNEDMZME-HXUWFJFHSA-N 436.446 4.828 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3cc(Br)c(Cl)s3)C2)OC1(C)C 2068911990 LMIDLWVDUYGKEI-UHFFFAOYSA-N 432.576 4.568 30 10 IJEE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(O)c1 2078995452 VXELIHDVIMEJRV-SFHVURJKSA-N 433.293 4.640 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100156804 OSTKVWGHQQAEDB-ZEQRLZLVSA-N 435.417 4.802 30 10 IJEE C#CCN(C[C@@H](Cc1cc(Br)ccc1Cl)NCCC)C(=O)OC(C)(C)C 2110501229 QIRRJTQGYJTLKK-QGZVFWFLSA-N 443.813 4.884 30 10 IJEE N#Cc1cc(F)c(NCc2cccc(I)c2)cc1Br 2119242518 MKWASLJYBSZDDA-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2167602885 DGTDUALKPCLGPG-RTBURBONSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CC=CCC1 2196085218 JXQKIZJOXVILIA-DYVFJYSZSA-N 434.334 4.509 30 10 IJEE O=C(C#Cc1ccccc1Br)c1ncc(Br)cc1Br 2227494752 BJGDZOKDLLLWCM-UHFFFAOYSA-N 443.920 4.604 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(F)(F)F 2229125321 CVKVIWYGLDCZDQ-CABCVRRESA-N 437.300 4.591 30 10 IJEE C=C(I)COc1c(F)cc(Br)cc1CNC1CCC1 2231587699 DAEHODUOAKTDDG-UHFFFAOYSA-N 440.094 4.558 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@H](N)C#Cc1ccccc1Br 2232125752 WUTMZLZYWLYRGI-SJORKVTESA-N 441.435 4.553 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)CCC[C@H]2CNCC[C@H]21 2233795306 ONCJRNRLJSJJOQ-KLHJMIIUSA-N 434.378 4.863 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2235720201 BYXHHXJVFMDILJ-QUCCMNQESA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@@H](O)C#Cc3ccccc3Br)ccc21 2235739350 HLKFVGLTCJQAOG-FQEVSTJZSA-N 428.326 4.832 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2279718910 PBQRYNUAMUWJLH-JLMWRMLUSA-N 434.374 4.731 30 10 IJEE C=CCN1C(=O)SC(=Cc2cc(Br)c(O[C@@H](C)CC)c(OC)c2)C1=O 2293998821 GLDALVYCVBZTLD-NSHDSACASA-N 426.332 4.857 30 10 IJEE CCC[C@@]1([C@H](O)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296224335 IZLQZFQIIDJKAJ-DENIHFKCSA-N 436.390 4.979 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2296299695 YJYHOBVRHZWDHS-MISYRCLQSA-N 433.390 4.638 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1cccc(C)c1I 2296309984 CSNVSLAIJVPOBI-MRXNPFEDSA-N 440.122 4.674 30 10 IJEE C=CCC(CC=C)OC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2298830479 QAPCXZJFBXKQRG-UHFFFAOYSA-N 428.573 4.610 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=S)Nc3ccc(C)cc3)cc2)cc1 2314548688 UGXPINGOABZAEU-UHFFFAOYSA-N 445.544 4.943 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2cccc(Br)c2)cccc1OC 2322466389 WQSBSSHXVZJMEU-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc([N+](=O)[O-])cc1 2322467021 HIJSDGAKASMLQX-UHFFFAOYSA-N 448.269 4.585 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C)c3C2=O)cc1 2325019477 LUTPZIWSPJVKRY-SFHVURJKSA-N 443.499 4.876 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2325382865 QPXRYHPDOYEOBV-UHFFFAOYSA-N 431.419 4.662 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cnccn1 2325708885 UGGDAFBNYIFHKH-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)CCOc1ccccc1 2325721523 TXSIAASUHXUXBI-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2325722595 VWPOHWUWOUKOEQ-UHFFFAOYSA-N 443.455 4.611 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2326058158 DAOALACNZIRMIC-UHFFFAOYSA-N 444.944 4.636 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1C(=O)O 2326320764 IQCDXTRMMWJIOC-UHFFFAOYSA-N 438.553 4.545 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1sccc1C 2326766250 PCKFHWKWAUVGMT-UHFFFAOYSA-N 428.583 4.952 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(OCC(C)C)cc2)o1 2326838798 RMYSTFQFHPDSPW-UHFFFAOYSA-N 442.541 4.566 30 10 IJEE CCOc1ccc(CCNC(=S)NN=Cc2ccc(C(C)(C)C)cc2)cc1OCC 2330390430 WWVPRFPAERJJQC-UHFFFAOYSA-N 427.614 4.822 30 10 IJEE COc1cccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)c1O 2330586582 VGZXNNJQLDRFFB-UHFFFAOYSA-N 436.562 4.938 30 10 IJEE CCCNC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2330825995 UQGDCGMFUXDEPM-UHFFFAOYSA-N 442.416 4.674 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 2331051580 NHJAYQQHSUXJKH-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE O=C(C=Cc1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1)c1ccc(F)cc1F 2331092885 QAAMMACDDLIOTI-LJQANCHMSA-N 437.236 4.708 30 10 IJEE CCCCc1nnc(SCCO)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331352459 YJSBCZDMNRZXNX-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331461637 AEKSNZGGTPXFOU-UHFFFAOYSA-N 443.427 4.743 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2Cl)cc1OC 2331577978 WMVNWTKUIHRKRF-UHFFFAOYSA-N 446.960 4.660 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1Cl 2331630720 JQRROGJKEICOMF-UHFFFAOYSA-N 431.924 4.636 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C1CC1 2331721744 JKYBLCKHMHJDFN-UHFFFAOYSA-N 435.553 4.556 30 10 IJEE CC[C@@H](NCC(C)(C)N(C)Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338519124 NWJAGGPXOJRNHB-XMMPIXPASA-N 436.449 4.937 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2362723145 XVBRJJQGDJCDOL-RBUKOAKNSA-N 437.378 4.558 30 10 IJEE C=C[C@H](C)CCN(C)[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2378199974 YPVQKTIVHZCPRD-LKFCYVNXSA-N 425.186 4.717 30 10 IJEE N#Cc1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc2c1CCCC2 3669169 XGKWBGJSFJTSLB-UHFFFAOYSA-N 429.295 4.620 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1OC 21249590 SOVDTLPJYNMAIB-FUHWJXTLSA-N 425.912 4.752 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 35444078 XSYOSIOSMUVCIK-AVWNRLRGSA-N 440.499 4.658 30 10 IJEE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814750 OWVFBDNBCQEPEV-WGOQTCKBSA-N 439.859 4.949 30 10 IJEE CCN(CC)C(=O)CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59310036 VMQJTOLXRCNGLW-ZVHZXABRSA-N 432.553 4.518 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1cccc(Cl)c1 59794692 UOHGOXDOILTJCK-UHFFFAOYSA-N 433.364 4.846 30 10 IJEE CC(C)c1nnc([C@@H](C)Sc2n[nH]c(N/N=C/c3cc(Cl)cc(Cl)c3O)n2)o1 59879463 OYVAZVVDEZDTIZ-GWEZJUCKSA-N 442.332 4.623 30 10 IJEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1 64473711 JYAIDMQZLRDTNW-UHFFFAOYSA-N 426.854 4.893 30 10 IJEE CCN1C(=S)N[C@H](c2cccc(OC)c2OCc2ccccc2F)C2=C1CCCC2=O 169933137 HEQLWWUPJUEWEA-JOCHJYFZSA-N 440.540 4.672 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)cc1 169956947 YASJODVZTAVCNZ-QFIPXVFZSA-N 449.507 4.572 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973357 VMJIFNVDCBZPSZ-IBGZPJMESA-N 444.516 4.728 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170132864 LWBGCAVAVLLYOA-HSZRJFAPSA-N 427.456 4.500 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccncc2)cc1 170207095 CXQVOLPIJFWSLA-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccncc1 170211020 HYWQFMCUDLVTBQ-HXUWFJFHSA-N 444.915 4.521 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccccc1F 170253047 SDYSXENWVDVSMH-GOSISDBHSA-N 448.288 4.585 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCOC(C)C 170270486 OFPSQLTTZFLZSD-XMMPIXPASA-N 433.548 4.877 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2sccc2C)cc1 170315946 YNWJQJJKKURSQE-AZUAARDMSA-N 441.549 4.603 30 10 IJEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@@]3(O)/C=C/CO)[C@H]3CCC4=CC(=O)CCC4=C23)cc1 253618098 RCOWGILQXUPXEW-DCJMABLSSA-N 447.619 4.932 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 438603603 BTPLQNDNGLNBHM-UHFFFAOYSA-N 438.487 4.737 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 460779263 CDYSYNWCRMQLCD-AUSIDOKSSA-N 430.508 4.601 30 10 IJEE CC(=O)Nc1sc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)nc1-c1ccccc1 479357872 IAIOHMHTIUCWMW-HXUWFJFHSA-N 434.521 4.682 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C 504061772 WJCCAWOJSRWLSL-UHFFFAOYSA-N 430.552 4.513 30 10 IJEE CCCCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 504271139 MNUBULQALPTXLU-SRUPGKAWSA-N 430.585 4.552 30 10 IJEE Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)N3CCC(C)(C#N)CC3)cc2Cl)n1 506915643 JVYGDEPFKSCZAG-MRXNPFEDSA-N 442.951 4.511 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](c2cccs2)C1 508491383 SUOTZCXKJVEYKF-YLJYHZDGSA-N 440.569 4.642 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@]2(CCCOC2)C1 555289708 YSOPHHCNAHFSLI-NBGIEHNGSA-N 440.588 4.790 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 569021740 RBYOOBBVEUKKMV-UHFFFAOYSA-N 443.595 4.950 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 569990576 MFOOCIXVWFUKNE-UHFFFAOYSA-N 444.583 4.544 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(OCc2ccccc2OC)CC1 578673091 IFVWZTSEBFXBGI-UHFFFAOYSA-N 436.556 4.925 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 604485888 KTYAUQRXKGCEDB-UHFFFAOYSA-N 440.503 4.750 30 10 IJEE COc1ccc(-c2nnc(COC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)o2)cc1 732377246 FLTCMVBLEZKJMK-UHFFFAOYSA-N 441.443 4.961 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2oc3ccccc3c2C)C1=O 734300307 NTFHCYLXHOSHSM-OAQYLSRUSA-N 435.549 4.626 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 735345352 GJPKAHIKNXSHRR-UHFFFAOYSA-N 443.290 4.711 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)cc(C)c1 742214943 NTTVTSWHCNHBOL-OAQYLSRUSA-N 437.540 4.816 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 742215408 WYQJFIYEEAENHX-NRFANRHFSA-N 437.540 4.816 30 10 IJEE C#CCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 742785794 XYMYDZRDHZMGOD-ZCXUNETKSA-N 426.516 4.882 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C(C)(C)c1cccc(Cl)c1 745062316 ANSQIRYYBUBURE-MRXNPFEDSA-N 428.916 4.505 30 10 IJEE CC(C)(C(=O)Nc1cccc(OCC#N)c1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 778603877 KUISYTKWEHCPAC-DEOSSOPVSA-N 430.504 4.866 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)cc1OC 779702681 HDDBZNVAGUYLFV-QXFGJRORSA-N 425.529 4.924 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCCCCC)ccc1Cl 1124204602 GBYZTCSRAKNJQG-UHFFFAOYSA-N 438.952 4.780 30 10 IJEE CC(=O)N[C@@H](C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1cccc(Br)c1 1124498994 GKVRYXVGEGEHLV-JOCHJYFZSA-N 449.304 4.771 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(Cc3ccccc3)[C@H](CCC)C2)cc1OC 1127442024 ZXMBBGKVLKPRQM-NNRIVUTJSA-N 434.580 4.786 30 10 IJEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(Cl)c2)cc1C#N 1128318577 GRQJJYFULKKCTD-OAQYLSRUSA-N 439.943 4.954 30 10 IJEE CC(C)c1nc(C(=O)N2CCc3cc(C#N)ccc32)nn1-c1c(Cl)cccc1Cl 1129758377 BKYBQEFVKHQJEN-UHFFFAOYSA-N 426.307 4.772 30 10 IJEE C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)C(=O)OCC 1132192353 FDABSORVSQILQI-VSKRKVRLSA-N 427.928 4.560 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccccc2N2CCCCC2)CCCN1C(=O)OC(C)(C)C 1152859185 CUNMUHJYUUDKKD-VWLOTQADSA-N 427.589 4.639 30 10 IJEE C=CCN(Cc1ccccc1F)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 1167138887 SHTOCBYSAOQZHP-INIZCTEOSA-N 444.572 4.958 30 10 IJEE C=CCOc1ccc(OS(=O)(=O)c2cc(Br)cc(Br)c2)cc1 1187409941 GJZDQQKTRYPMES-UHFFFAOYSA-N 448.132 4.544 30 10 IJEE COc1ccc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2cccc(CC#N)c2)cc1OC 1188644282 GGCVDNWNECZKLU-AVRDEDQJSA-N 442.581 4.539 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2ccccc2Oc2ccc(F)c(Cl)c2)n1 1205622234 RCAMPKSVZHTPGY-UHFFFAOYSA-N 427.907 4.750 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1214807756 GRPIHDIKEGOBAU-GETVMMFXSA-N 446.617 4.536 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1)c1ccc(Cl)cc1F 1220502892 LDVZVZSLZOEKSJ-OAQYLSRUSA-N 439.874 4.849 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc(OC)c1OC 1221552259 KQYFKSLFEXJZHT-XZOQPEGZSA-N 438.568 4.615 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)c(C(=O)OCC)c1C 1264357673 WCJIDQHUZXHMLK-ZWKOTPCHSA-N 441.549 4.935 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)cc(OC)c1OC 1279757359 ZRUFMROHJLVVEW-NSHDSACASA-N 440.284 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(CC)CCOCC1 1286278047 KSVKTOXZENZQHG-ROUUACIJSA-N 430.980 4.736 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(CC)C[C@@H]1CCCO1 1286319375 ZPXAIPRFKROSHM-IBGZPJMESA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1286322029 XMMMPVJIYSKTIO-SFTDATJTSA-N 433.600 4.882 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](COCC)C1 1286341023 AXRPLFYZFVPBLR-MOPGFXCFSA-N 430.980 4.738 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1ccnc(OC2CCCCC2)c1 1286449111 LBUULKPMZGQGLX-UHFFFAOYSA-N 435.597 4.545 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286504720 SKCLWLMAHDMMEE-KRWDZBQOSA-N 433.021 4.749 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1Br 1286555947 MSJJJDJASXXKMK-PKOBYXMFSA-N 431.378 4.536 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@H]1CCCO1 1286621597 GKGAMHGLNZWYOF-QGZVFWFLSA-N 429.977 4.745 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCN2CC)CC1 1286637530 GXKINCICINXMHQ-QUCCMNQESA-N 429.996 4.712 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2OC2CCCC2)CC1 1286637913 PENVRQYXAZMDCB-HXUWFJFHSA-N 440.588 4.528 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@H](c1cccs1)N(C)C)C1CC1 1286735990 VZTFBKXBQHJUCA-HXUWFJFHSA-N 425.577 4.527 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1cccc(C(F)F)c1 1286749817 ZMDONGNPOISFHC-UHFFFAOYSA-N 438.507 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CC[C@H]1CCCCO1 1286754223 NPYUGDGUIJUYLV-LJQANCHMSA-N 431.378 4.845 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2csc(C(F)(F)F)c2)nnc1-c1ccco1 1287500048 ZTFJPVIZNVSLTN-UHFFFAOYSA-N 442.488 4.603 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 1296528518 AAXKIYTUXVRVAQ-WBMJQRKESA-N 434.886 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCC[C@@H]1C 1300282736 PWRQMEVNDSPTMB-WOGXIUBCSA-N 438.572 4.822 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1300413279 RQTDIWQKSMIXQV-NRFANRHFSA-N 433.625 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nc(C(C)(C)C)cs1 1300900918 JPMGIEJIUTYMNZ-QHCPKHFHSA-N 447.649 4.523 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(Cc2ccsc2)CC1 1300937219 MRDALQOKLRMCSU-UHFFFAOYSA-N 431.968 4.697 30 10 IJEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC(C)C)C1CCCC1 1300946264 VHCYLFYFXADTIN-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1301216623 NPEJSYHVVWMYBG-FQEVSTJZSA-N 448.615 4.904 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)=C(Br)C1 1301229275 LZMHGWXVPFQFSM-UHFFFAOYSA-N 445.405 4.917 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1301246827 XTDVBABTKFWRTM-RBBKRZOGSA-N 441.620 4.530 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)nc1 1301334885 QZEDFDXEAIIAKK-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1cccs1 1301474320 ZEMZMHRKKWERCD-SJORKVTESA-N 429.590 4.939 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC2CCC(C)CC2)nc2sc3c(c2c1=O)CCCC3 1307261125 MAGSTKROCRSYID-PCKAHOCUSA-N 445.654 4.698 30 10 IJEE CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C#N)cn1)N(C)C 1311055641 DQGNWVFQXDBFMU-LJQANCHMSA-N 434.371 4.880 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccccc1 1312130256 LXFMAKOLFYLGEY-URXFXBBRSA-N 432.907 4.874 30 10 IJEE C=CCO[C@H]1CCN(Cn2nc(-c3cccc(Cl)c3)n(Cc3ccco3)c2=S)C1 1320030338 HOYNEDNROJTDPS-IBGZPJMESA-N 430.961 4.610 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Br)c3)n2CC(C)C)C1 1325278864 MLRPAJFAYGXAMY-VQIMIIECSA-N 449.393 4.618 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)c2)c1 1350199520 IBNYNEBLRJYHED-UHFFFAOYSA-N 445.950 4.749 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Br)c(C)c1F 1352523198 ZXJAPQBDILJPNL-UHFFFAOYSA-N 437.261 4.640 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 1358048455 AAIOTBYLINRLFE-UHFFFAOYSA-N 433.305 4.853 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1358899744 UFOQXSVJNJNBMX-QXDIGNSFSA-N 426.527 4.948 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@@H]21 1358918219 ODDZFJXTDWQVMZ-UFYCRDLUSA-N 427.593 4.532 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C)CC1 1358934387 ZLIGIOWQPLYNGJ-QGZVFWFLSA-N 431.378 4.659 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)c1c(C)noc1C 1358942683 FLKFSQJJUKNNMO-KRWDZBQOSA-N 445.523 4.595 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCC[C@@H]1CC 1358972634 MEIBHZWNVLATKV-DEOSSOPVSA-N 431.628 4.580 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN1CCC 1359015832 GSKZRANVCXPEMF-HSZRJFAPSA-N 449.574 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N(C)C1CC1 1359064578 WAEKFACKOZBJBC-QZTZHPFYSA-N 442.007 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](C)c1ccccc1 1359065340 OPHXVUVCBLYLKV-QGDZQMKYSA-N 436.600 4.505 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C1CC1 1359092601 CVGAXBDTNHKYDB-XLIONFOSSA-N 445.405 4.986 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1359130804 WQSIHHXMSXNSAX-CVDCTZTESA-N 433.556 4.529 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@@H](C)C1)c1ccccc1 1359138655 ZVPQHPYLJIQPED-HOTGVXAUSA-N 440.389 4.852 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCCCN2CCC)CC1 1359168560 ZQWYHXXAJHOTTH-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1359174873 SDRINXRBNXCPDC-UYAOXDASSA-N 432.515 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCc2cccnc21 1359273900 SPDQAIYCPNTARY-QFIPXVFZSA-N 429.568 4.859 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@H]1C(C)C 1359275321 QBHVTURVAPQYGS-VWNXMTODSA-N 433.600 4.960 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCS1 1360744775 ALGYWOMAWWKIIA-BPXKWBHBSA-N 429.565 4.583 30 10 IJEE Cc1ccc(Oc2ccccc2CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1435866368 BSEHVPMQYNCJCK-XMMPIXPASA-N 439.515 4.513 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccccc1 1439952730 UPOSHDGYWSVMOF-HRFSGMKKSA-N 447.398 4.826 30 10 IJEE CC[C@@](C)(O)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 1459958508 FYYAANBYYJUTPT-AREMUKBSSA-N 436.600 4.693 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)cc1 1460696228 TXAIGPXPUKIQGC-QHCPKHFHSA-N 433.552 4.861 30 10 IJEE C=CCc1cc(CNC(=O)c2c(C)n(C3CC3)c3ccc(OC)cc23)cc(OC)c1OC 1464560869 YUHBHNSQGFDHAT-UHFFFAOYSA-N 434.536 4.969 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)C1 1469643433 QSDWWAXLQXOSFZ-LBPRGKRZSA-N 434.161 4.580 30 10 IJEE Cc1cccc(CN2CC[C@@H](NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)c1 1470712615 HCAVNFMUNHGCRL-OAQYLSRUSA-N 429.495 4.802 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 1476483518 RETMEZAOGTYQCJ-YADHBBJMSA-N 443.588 4.731 30 10 IJEE C#CC[C@H](NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1478245176 HVGWMSHZMFMKLI-RPBOFIJWSA-N 426.516 4.577 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1478773988 QQVUCBGYKDDDNH-UHFFFAOYSA-N 425.495 4.699 30 10 IJEE C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccc2c(c1)OCO2)C(=O)NCc1cc(C#N)ccc1F 1479325932 HACZNBADTSYTQC-HYFFOGBASA-N 437.515 4.963 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOCC(F)F 1507519197 QHIVREXXMGNLCG-OAHLLOKOSA-N 445.539 4.507 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1507755755 CWCMZXNNWMFURP-FQEVSTJZSA-N 426.630 4.937 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1507828245 YIRDKLYYKBQCGZ-RTWAWAEBSA-N 440.588 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1507913674 YLOXETZLWBUIGE-HSZRJFAPSA-N 444.627 4.962 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H](C)C1)c1ccccc1 1507918978 ANPATCOVHCGBAO-KCZVDYSFSA-N 444.583 4.768 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)SC)C1CC1 1507990206 IKBUIURQAHTZNR-LBPRGKRZSA-N 425.371 4.753 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)c1cc(C)oc1C)C1CC1 1507990605 RDRMMHHFEMDAQT-HSZRJFAPSA-N 426.948 4.871 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1508010339 RBKMOEKRPCDBJW-LQWHRVPQSA-N 442.526 4.791 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 1509245573 GCOMZFJUPGNTGM-UYAOXDASSA-N 427.643 4.538 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1511999420 CFPIYTISMMUAOE-NJYVYQBISA-N 445.615 4.600 30 10 IJEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)COC)CCS1 1514137272 FNQDFYAFZNUTNW-FQEVSTJZSA-N 427.618 4.601 30 10 IJEE C=CCSCCNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 1515134952 NWVLULPGYLJXBL-UHFFFAOYSA-N 427.751 4.939 30 10 IJEE C[C@H](NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1515234557 FKAMQKIZYCELRL-AFMDSPMNSA-N 443.522 4.615 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCc2cc(OC)ccc2C1 1520236172 IJAXGHGMNVYVME-QGZVFWFLSA-N 432.333 4.917 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1524733195 PNDFCBOKXDSICA-NZQKXSOJSA-N 438.568 4.700 30 10 IJEE C=CCCSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1527931805 CMFLLAPFUJHYHJ-MRXNPFEDSA-N 432.508 4.697 30 10 IJEE C#CCC1(C(=O)Oc2ccc(I)c(Br)c2)CCCCC1 1528383774 VPFGXHBVBPDRFW-UHFFFAOYSA-N 447.110 4.933 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)c1 1529648274 XQZMDZBCXFHPRK-FPOVZHCZSA-N 439.577 4.790 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC)c1 1530944323 HTMQTHQMPULWNG-UHFFFAOYSA-N 441.380 4.905 30 10 IJEE Cc1c(COC(C)(C)C)cccc1NC(=O)COc1ccc(C#N)c(Br)c1 1531782064 BKCCLFNQTMSCDN-UHFFFAOYSA-N 431.330 4.962 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 1534131836 CLWNMVNMJIUUDP-MRXNPFEDSA-N 434.367 4.606 30 10 IJEE CN(Cc1ccc(Br)cc1F)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1534789655 DABZLZJJGHZQOT-UHFFFAOYSA-N 443.272 4.904 30 10 IJEE C=CCc1cc(C(=O)O[C@@H](C)c2ccc(SCC(=O)N(C)C)cc2)cc(OC)c1OC 1534799666 UBWRHTGZKLWRJM-INIZCTEOSA-N 443.565 4.531 30 10 IJEE C=CCc1cc(C(=O)O[C@H](C)c2ccc(SCC(=O)N(C)C)cc2)cc(OC)c1OC 1534799669 UBWRHTGZKLWRJM-MRXNPFEDSA-N 443.565 4.531 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(COCCOC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1536363869 QLNMXCMJCAOEHQ-RUZDIDTESA-N 446.588 4.913 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4ccc(Br)cc4)c3C)cc21 1536832164 RDSJRQXQVSLRST-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 1539071411 SSXSZDIRYGLRLY-UHFFFAOYSA-N 440.035 4.781 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(C)C)C1 1539118698 DLTGZSKUVFVTIX-LEWJYISDSA-N 443.636 4.678 30 10 IJEE C#CCCCn1c(Cc2cccnc2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1539128144 VNBSPMSQKHTBSH-UHFFFAOYSA-N 425.536 4.786 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@H](F)c1ccc(Br)cc1 1539295741 FARJIZFWQFDBHR-APWZRJJASA-N 431.353 4.728 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H]1C 1539319793 GWZUHQSEZCMARS-QZTJIDSGSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC1(OC)CCC(C)CC1 1539357704 NQPBPVVJUJMVSI-UHFFFAOYSA-N 445.405 4.762 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1ccco1 1539606671 MTDASWMONRSVEH-GOSISDBHSA-N 443.345 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[S@@](=O)CC 1539652168 OOJMTKXEYLIZMH-HKBQPEDESA-N 439.629 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C 1539931696 NSZGSGSQFAVFAH-UHFFFAOYSA-N 441.595 4.670 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1540006198 ANLKOLBZZOIUJB-QGZVFWFLSA-N 426.458 4.522 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@]1(C)OCCc2sccc21 1540088592 NUQWLDWHMCZXGD-DEOSSOPVSA-N 438.597 4.591 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1csc([C@@H](C)OC)n1 1540122710 ZATKSQQKRYYUBX-QGZVFWFLSA-N 448.596 4.822 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](c2cccc(F)c2)C1 1540861581 XNQXNKOTRVQPPW-ICSRJNTNSA-N 441.551 4.669 30 10 IJEE CN1CCC2(CC1)C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccccc1O2 1543998602 BZOQUXYDRHVPNW-GOSISDBHSA-N 430.335 4.583 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H](OC)[C@@H](C)CC 1545449387 GNCBJMAZMLWZTE-YDHSSHFGSA-N 439.604 4.772 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)OCCc2sccc21 1554133119 BYIRGKJOAYHLRD-DEOSSOPVSA-N 435.597 4.849 30 10 IJEE C=CCCC(C)(C)NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1557637813 NOZVPMKCLCUKDM-UHFFFAOYSA-N 445.607 4.542 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCSC1 1558518617 KKTFQSLOCDMPPA-HSZRJFAPSA-N 436.577 4.783 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)cc1F 1561556542 VPSSNDYTGPYMJH-CQSZACIVSA-N 437.117 4.548 30 10 IJEE C#CCN(C(=O)Nc1cc(SC)ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1563057258 NOUBVWGDWVUPHX-UHFFFAOYSA-N 437.993 4.929 30 10 IJEE C=CCC1(CNC(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)CCCC1 1564748060 RJGLHZDAIMSHFU-HXUWFJFHSA-N 437.588 4.570 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OCC)C1(C)C 1567637313 NPNLBOKNDAQWIC-CJFMBICVSA-N 446.588 4.621 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cncc2nc(C(F)(F)F)[nH]c12 1570214631 QWJOKXBNBXKWSE-UHFFFAOYSA-N 441.207 4.556 30 10 IJEE CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1c(C)c(C#N)nn1-c1cccnc1 1583497396 FNACDWSGPQKUPL-MRXNPFEDSA-N 427.430 4.674 30 10 IJEE CC1CCN(c2ccc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)cn2)CC1 1584393425 ADFWGQQWJSVESM-KRWDZBQOSA-N 430.474 4.891 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCn1ccnc1C 1587586993 VZADEMFSEPROLQ-QZTJIDSGSA-N 436.629 4.575 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CC1CCC(C(F)(F)F)CC1 1587661843 HGZNXQGQUXXSAV-LMDPOFIKSA-N 434.506 4.726 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1c[nH]nc1C 1588089295 HTDRNKSWMMWBTJ-UHFFFAOYSA-N 448.983 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(C)CCOCC1 1589151099 RDVSOLKFHUWNFI-MHECFPHRSA-N 442.991 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1cccc(OCC(F)(F)F)c1 1589637136 VSPUQWSIVISJNH-UHFFFAOYSA-N 431.462 4.732 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1589701303 XKHBXZQIVOSAJZ-OALUTQOASA-N 448.036 4.548 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CC)Cc1cnn(C)c1 1589715456 KSHWFTYEJATHSU-UHFFFAOYSA-N 429.572 4.689 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1594064680 RRXIADHDLBMEJM-FQEVSTJZSA-N 440.954 4.592 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2[C@@H]2C[C@H]2CF)CC1 1594202260 JKRFHNIAKCHYOT-KBXCAEBGSA-N 435.341 4.649 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1594226443 LWHJWZCVUCCGAN-UHFFFAOYSA-N 431.437 4.949 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1csc(-c2ccco2)n1 1595085394 VDELCYNJFZXLKD-UHFFFAOYSA-N 435.553 4.807 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3N(C)CC[C@H]2C)n(Cc2ccccc2)c1C 1615899007 AHFXWGUVZRLWKA-LJQANCHMSA-N 441.579 4.698 30 10 IJEE C=CC[C@@H]1N(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CCCC1(C)C 1617603626 AMNXWXFAKWOFGF-QFIPXVFZSA-N 444.572 4.664 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1621949443 NSNMKNQSAARPFN-LJQANCHMSA-N 441.471 4.786 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)cc1OC 1627613394 AXFMFHWFYXZHTN-FNORWQNLSA-N 446.276 4.690 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 1627864518 PZTFSUNDPYFVKR-MRXNPFEDSA-N 446.897 4.889 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1630744139 NFBQSYLVSUHYBT-UHFFFAOYSA-N 448.567 4.523 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)n[nH]2)c1C 1631180521 XJAYZAHEDPIVOB-ZJSXRUAMSA-N 447.583 4.585 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccc(Br)cc1 1631208061 LGWWZKDZZSNWGN-KBXCAEBGSA-N 431.330 4.509 30 10 IJEE C=C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)c1ccccc1 1632079973 QHMOAFIJZFIVTK-FQEVSTJZSA-N 427.342 4.596 30 10 IJEE C=CC[C@]1(C(=O)NCC(=O)c2cc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1632772872 YAOLHOZSLOMMBX-HSZRJFAPSA-N 428.554 4.546 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 1634163992 WWNGHCMDVHGNHB-UHFFFAOYSA-N 436.533 4.638 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1OC 1635056407 ACDRYVOQIZXZGG-XETPZZHUSA-N 448.485 4.711 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 1637832584 JPIVILJFIRPZGM-UHFFFAOYSA-N 438.524 4.806 30 10 IJEE Cc1cc(C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)ccc1Br 1642802153 BHVXAYKDCZVNBF-UHFFFAOYSA-N 426.358 4.837 30 10 IJEE CC[C@H](C)[C@H](NCc1cc(C#N)ccc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 1645099636 BQXGBSVQEQYCPQ-FNZWTVRRSA-N 433.596 4.552 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc21 1648046478 ZWHXEYSYLQTVLA-UHFFFAOYSA-N 438.553 4.829 30 10 IJEE C=CCN(Cc1nn(-c2ccccc2)c2c1CCC2)[C@H](Cc1ccccc1)C(=O)OCC 1653296097 HCKBCMGEQWCQNG-AREMUKBSSA-N 429.564 4.523 30 10 IJEE N#Cc1ccc(S(=O)(=O)CCN[C@@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 1653615620 DKSPXUQYJBVFBH-QFIPXVFZSA-N 447.585 4.515 30 10 IJEE C=CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1654151209 KREZZPJYPDRXAV-IBGZPJMESA-N 435.351 4.594 30 10 IJEE C#CC1CCN(CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)CC1 1654838107 PPLKBCBLJGEDLS-UHFFFAOYSA-N 426.564 4.748 30 10 IJEE COC(=O)c1ccc(Nc2ccc(C)c(Oc3ncccc3Br)c2)c(C#N)n1 1655446856 BICRVHVYYLNTIT-UHFFFAOYSA-N 439.269 4.742 30 10 IJEE N#Cc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccc(Br)cc2)cc1 1658074574 DGIYLWCSPVNPRO-UHFFFAOYSA-N 434.337 4.962 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl 1660158091 HLSCOGNNPIRZGO-QFIPXVFZSA-N 444.915 4.736 30 10 IJEE C#CCN(Cc1ccc(OCOCC)cc1)[C@H]1CCOc2ccc(Br)cc21 1663979622 KLDJXQCZJTUAMU-NRFANRHFSA-N 430.342 4.781 30 10 IJEE Cc1nn(-c2ccccc2Cl)cc1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1664533359 FFRQCVQYXWDXBE-HSZRJFAPSA-N 440.378 4.870 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 1666668247 CMBNXSCZTMTRFZ-OFNKIYASSA-N 430.556 4.839 30 10 IJEE C[C@@H](NS(=O)(=O)c1cccc2c1OC(F)(F)O2)c1ccc(-c2cccc(C#N)c2)cc1 1668534988 FSUNJPXRBUKFTG-CQSZACIVSA-N 442.443 4.586 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)COCc1ccccc1 1670841035 FISPRTIUNPEXCW-MRXNPFEDSA-N 433.346 4.988 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 1670844962 HCZPDHMAXAMJGS-HXUWFJFHSA-N 445.357 4.918 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 1671014592 IUNKHCKKVLXGMD-HRAATJIYSA-N 447.373 4.932 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 1673033901 BYBUGXWOSXPVNP-UHFFFAOYSA-N 446.347 4.872 30 10 IJEE C#C[C@H](NC(=O)N1CCC(OC2CCC(C)CC2)CC1)c1ccc(Br)cc1 1674026334 XDKQMRYEVGKUNC-IOYBJCICSA-N 433.390 4.893 30 10 IJEE C=CCC1(CNC(=O)Nc2ccnc([C@H]3CCCN3C(=O)OC(C)(C)C)n2)CCCC1 1675555338 MOKHRNOWKJJLOK-QGZVFWFLSA-N 429.565 4.807 30 10 IJEE C=CCN1CCC(NC(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 1678692751 WGJWCVJIQPJGLD-NRFANRHFSA-N 427.486 4.602 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1681941575 CAKHDIJZNDFLBN-JOCHJYFZSA-N 429.605 4.852 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1689900736 OVLDJBVBTLPDOF-HSZRJFAPSA-N 439.673 4.682 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1689953912 DLEFLRTUTIOUNH-IBGZPJMESA-N 425.989 4.567 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1cccc(C)n1 1690005903 DOTSHFIJPSIACV-IBGZPJMESA-N 443.620 4.540 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CC[C@H](OCC)C(C)C 1690208912 CHHHWYNMXVOVIV-JYFHCDHNSA-N 433.600 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(F)c1 1690245912 OJPCZAYADIRHBU-AVRDEDQJSA-N 430.568 4.632 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(F)c1 1690245914 OJPCZAYADIRHBU-PGRDOPGGSA-N 430.568 4.632 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC2(CCOCC2)C1 1690279327 BIAZDCDPROOHSF-UHFFFAOYSA-N 431.378 4.599 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1690304656 KEVPIZKLWYCLAT-RTWAWAEBSA-N 425.602 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1690426679 XHYXGCXJKBEQEF-UHFFFAOYSA-N 446.643 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC=C(C)CC1 1690428599 WAVMAGSJVJHBFY-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1690467879 LMUPJWHXFUAWOO-IBGZPJMESA-N 449.393 4.511 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1690478510 ZKMBBHLVCJHPAV-UHFFFAOYSA-N 439.579 4.716 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1690500477 WXMNNONEZDGANP-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1cc(C)cc(OC)c1 1690607889 WFMYDKCGQDHDGQ-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690632630 GVXMYGZYKGQUSG-OAQYLSRUSA-N 449.393 4.544 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1690655012 DLAWJQUNRXTXSV-WOIUINJBSA-N 440.588 4.741 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)N[C@@H](C)c2ccccc2)n1 1693175667 ACOSVICONNNRTH-PMACEKPBSA-N 431.588 4.516 30 10 IJEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)N[C@H](C)c2ccccc2)n1 1693175670 ACOSVICONNNRTH-WOJBJXKFSA-N 431.588 4.516 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCCC1(F)F 1705485998 UTFNLZVGNWJMAR-AEFFLSMTSA-N 432.515 4.636 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1csc(C)n1 1705592487 KMNNECXAOFDGTE-UHFFFAOYSA-N 431.609 4.713 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC 1705722052 RKYMHWKBAGDZLY-UHFFFAOYSA-N 428.558 4.798 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705760733 QQBHFRHRCUIWHT-IXDOHACOSA-N 447.967 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C(C)C 1705788620 HDGWVCHQZHCROU-HXUWFJFHSA-N 430.618 4.576 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1705797387 VQEFKNNIBAFWNR-JOCHJYFZSA-N 442.567 4.865 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1)C1CC1 1705855187 XMMVHMIDSGYHPG-IBGZPJMESA-N 443.636 4.984 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(C)(F)F)C1 1705915355 JXJKPRQIVWCLKM-RBUKOAKNSA-N 434.531 4.862 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@](C)(CC)C1 1705940830 QJMXVAHFTOYPCL-XMMPIXPASA-N 437.613 4.726 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCSC1 1706079250 HHAPZSYMJPFYMF-OALUTQOASA-N 441.645 4.894 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](F)C1 1706462368 DMTCJKSKNOSKJF-DXIQSLLYSA-N 441.551 4.695 30 10 IJEE COc1cccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)CC#N)c1 1711928361 DJWTTZRDUOBHPQ-CYBMUJFWSA-N 446.374 4.564 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C)s1 1722310194 HXIWQHPSROEJNF-UHFFFAOYSA-N 432.391 4.846 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1722312653 HSXLZYXLSNGHHA-LADGPHEKSA-N 431.584 4.691 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1722340236 RSTUKCMUVCQYAY-OAQYLSRUSA-N 449.624 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)CC1 1722491572 ATFJXULGFBCDSN-NHCICSSKSA-N 445.007 4.975 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CCC 1722494279 BZBUCIPOSSFNQF-SIKLNZKXSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1722504858 HWEHEIXAQFCXMP-IZIIKQMZSA-N 447.583 4.836 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722519175 NFRKKGQVBQBYMG-DYXWJJEUSA-N 444.023 4.937 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722520498 UIPZJJMXLQNAPN-GOSISDBHSA-N 427.911 4.757 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CCc2ccccc2)C1 1722526544 YBIZPNLKHVFICE-DNVJHFABSA-N 438.616 4.611 30 10 IJEE C=C(C)COCCn1c(N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)nnc1C(C)(C)C 1722536926 SQYZEURAQCAKQF-FYYLOGMGSA-N 439.648 4.658 30 10 IJEE C=C(C)COCCn1c(N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C 1722536928 SQYZEURAQCAKQF-GMAHTHKFSA-N 439.648 4.658 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCCC(C)(C)C2)CC1 1722568508 OZRHHBYHKQVYRJ-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H](F)COC)CC1 1722575486 LFQWDYOVXAAVIM-LJQANCHMSA-N 440.519 4.504 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)CCC)CC1)c1ccccc1 1722594431 LIWQEBWVUXDWBX-NRFANRHFSA-N 446.599 4.518 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1722605608 MXDBTOWOLNSIAR-VWLOTQADSA-N 440.595 4.951 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1722627284 JXOVWOOYGRIDFL-JOCHJYFZSA-N 445.007 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCC1CCOCC1 1722667554 FHHROKZPIYKXEN-UHFFFAOYSA-N 437.407 4.764 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2Cc2nc(C(F)(F)F)cs2)C1 1724010248 IBOLDHYGCJULHK-IBGZPJMESA-N 438.523 4.664 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1740585360 QVKKTHHRJFASIZ-FQEVSTJZSA-N 441.595 4.527 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)CC(C)(C)C1 1740590250 KHCONTLMYTXMPF-PMACEKPBSA-N 443.636 4.678 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCC#N)CCC(C)C 1740757771 XJTKENOKTPPJGH-DENIHFKCSA-N 425.552 4.832 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc2cnccc2c1 1740807498 CQLYNODNKCXVQQ-UHFFFAOYSA-N 425.323 4.931 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCCN2CCC)CC1 1740819699 ABDJVILAPDHFIF-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740858857 ADMADELERCAIJD-SFHVURJKSA-N 429.996 4.697 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740864318 HXJJVFQXSBFFSL-QFIPXVFZSA-N 437.975 4.852 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H](C)CC)n1Cc1cn2ccsc2n1 1740915828 UROMGAUUFVEOPE-KRWDZBQOSA-N 436.585 4.750 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(F)(F)F 1740919058 YPZBRLFOMPNNDR-UHFFFAOYSA-N 446.521 4.921 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1CCCN(C)C(=O)OC(C)(C)C 1740921619 BZRCJGXZAYZJBP-UHFFFAOYSA-N 431.606 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1Cc1cccc(C(=O)N(C)C)c1 1740922801 SVGICKCLHXLANV-SFHVURJKSA-N 437.613 4.796 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCc3ccccc3CC2)nnc1C(C)(C)C)C(C)C 1740926782 KZYGHVOGVQYBAX-XMMPIXPASA-N 435.660 4.879 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[C@H]2CC)C1 1740978164 PCPATSBOZPXYHU-SFHLNBCPSA-N 440.588 4.570 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC[C@@H]2CCCCO2)n1 1742313324 BCBHAIDBQFZWFJ-QFIPXVFZSA-N 430.556 4.506 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccc(OCC(C)C)c2)n1 1742327833 HNENMHBGWJTEJV-SANMLTNESA-N 444.583 4.862 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](C)C2)cn1 1746089152 GJBGWAWMJBSLFG-UXHICEINSA-N 443.599 4.589 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1748703004 TYFMLZCCEIGCEF-HSZRJFAPSA-N 448.533 4.841 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1749110123 GYRBJYDKLHVZEE-OAHLLOKOSA-N 449.368 4.921 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1749174229 KJJKMVGNQJRBGB-GHTZIAJQSA-N 430.618 4.971 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 1749253127 XPVZTOXONXYBGT-DOTOQJQBSA-N 425.360 4.666 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749391839 SUQVMUQQRFFXRN-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)C)CC1 1749438152 RSFNQCXROQXSIT-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC1CCN(c2ccncc2)CC1 1749502565 XQNAEUWIXXLHER-UHFFFAOYSA-N 448.640 4.813 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCC(C)CC1 1749561177 HYSIYHNBBXKMQE-UHFFFAOYSA-N 430.600 4.712 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccccc1C 1749561185 IKBIOGNTAWCKSP-UHFFFAOYSA-N 426.362 4.765 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCOC(C)(C)C 1749565897 SLCFNCXHEPFSGW-UHFFFAOYSA-N 437.357 4.840 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1Cc1ccc(C(F)(F)F)cc1C 1749576122 DRDJXVJSFVZVIM-UHFFFAOYSA-N 427.474 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749579898 YKCFSMVHEYHRDZ-WXVAWEFUSA-N 446.643 4.970 30 10 IJEE CC(C)(C)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1750481074 GTBGLNVRTROOEV-IFMALSPDSA-N 438.595 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ncc(CC)s1 1760104093 RSMZCNMJIJBIPH-CABCVRRESA-N 425.627 4.657 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1760135811 JVTXBVNDYYJLCV-OAQYLSRUSA-N 431.540 4.502 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cc(C(CC)CC)no1 1760162771 GGOLXRLAMRCNKV-INIZCTEOSA-N 425.508 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@H](OC)C(F)(F)F 1760213663 KZDGXNMZTJFFGZ-FQEVSTJZSA-N 446.517 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1Cc1ccsc1 1760290395 DUVCMUUSYIOGOL-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760310856 FQWOIITUJFDBAG-IBGZPJMESA-N 447.421 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CC)C1 1760315927 KKKXXJYUDUIHOE-JYLXEMOASA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N(C)C 1760329737 JAVUAZCQBKQGDZ-UHFFFAOYSA-N 431.993 4.694 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1760353572 WSQCIKNDAMWQGS-QFBILLFUSA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccs2)CC1 1760383455 QSRGPUPVYSCCLN-HSZRJFAPSA-N 430.618 4.514 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1ccco1 1760437796 OFSOVZJOXBYLPN-SFHVURJKSA-N 446.555 4.993 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1760473058 JVRBUOJPZZQQLS-UHFFFAOYSA-N 431.588 4.524 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1cccc(C)c1 1760483814 CQHHSINZTLINQP-LJQANCHMSA-N 437.613 4.783 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC[C@@H]1C 1760485916 VQVLRZKKUOWMBH-ICSRJNTNSA-N 438.597 4.880 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC=CO1 1760500639 RCHSLROISVMZDG-QHCPKHFHSA-N 447.583 4.684 30 10 IJEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1765127545 DZLLDVMRZPRIER-VAMGGRTRSA-N 437.588 4.559 30 10 IJEE CCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1765727722 HQIZZVFJSSAAKK-UHFFFAOYSA-N 448.571 4.586 30 10 IJEE COc1ccccc1/C=C1\SC(=NN=Cc2ccccc2F)N(Cc2ccco2)C1=O 1772758734 CGLFVFTXMWLSFL-JWZGDWNOSA-N 435.480 4.934 30 10 IJEE Fc1cc(Br)ccc1/C=N/NC(=S)NCc1cccc(C(F)(F)F)c1 1860501161 PXTNOWFLUNZAOL-NUGSKGIGSA-N 434.256 4.605 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862384861 BYJVUJFVXCQZKT-SFHVURJKSA-N 436.291 4.639 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccn2)cc1 1862414108 RRXPKCDMMAHUPY-JOCHJYFZSA-N 434.442 4.701 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1862445765 CYQHVFSWRWJHHT-LJQANCHMSA-N 434.319 4.997 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCCO)c1 1862479713 OBHGORDCDQIBMT-QHCPKHFHSA-N 437.536 4.525 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1c(Cl)cccc1Cl 1862578633 GNYJJVCAPVYPKK-SFHVURJKSA-N 436.291 4.609 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862643386 ONNOICFHTXQFMT-GOSISDBHSA-N 436.266 4.905 30 10 IJEE COc1ccc(C2=C(Nc3cc(Cl)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968211 CDNSPBMPKVKJMK-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C2CC2)C1=O 1863544640 ZVOFGHADCIWFSC-UHFFFAOYSA-N 425.573 4.618 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@@H]1c1cccc(C)c1 1865563399 KCXQHEZYFIBJRM-QFIPXVFZSA-N 448.611 4.695 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2nccn2-c2ccccc2)c(Br)c1 1866244417 XWXBVWLXEFLCAW-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@H](c3ccncc3)C2)nc(Cc2ccccc2)n1 1868216253 XGBKCSPNNPXQMA-DEOSSOPVSA-N 448.530 4.656 30 10 IJEE COc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1 1870147257 GOJCTNYRJXBAAH-UHFFFAOYSA-N 439.475 4.511 30 10 IJEE CCCCCCCCCCn1cc(OCCCO)c(=O)cc1CSc1nccn1C 1870237211 DMMQWWFLXFWJFJ-UHFFFAOYSA-N 435.634 4.776 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870410866 IZCSHWDZFAFZMO-NHCUHLMSSA-N 444.591 4.994 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(C)c(F)c1 1870840734 JIYUZXSDEJACRQ-UHFFFAOYSA-N 430.520 4.596 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871888465 VCTLIJPJHGYKQB-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCC 1872285703 ACOJBOXFPCAMRE-QHCPKHFHSA-N 449.661 4.504 30 10 IJEE CCCCCCCCCCNC(=O)CSCc1nc(O)c2cc(OC)c(OC)cc2n1 1873936643 LSFDQZNBAWMANU-UHFFFAOYSA-N 449.617 4.843 30 10 IJEE Fc1ccc(CSc2nnc(COc3cc(F)ccc3F)n2/N=C/c2ccc[nH]2)cc1 1874260363 WFCRPJLNHMYGEU-KBKYJPHKSA-N 443.454 4.777 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2O)cc1 1874421829 GMEZGJIWGYJJCV-YDZHTSKRSA-N 449.561 4.634 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(F)cc1 1874478074 SAYAMYZRGUJBME-YDZHTSKRSA-N 430.505 4.704 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2cc(C)ccc2C)cc1OC 1874501808 AXCYKILXRPFVRS-ZMOGYAJESA-N 440.569 4.623 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2Cc2ccccc2)cc1OCc1ccccc1 1874559098 VUUUJQATDFJLIH-PCLIKHOPSA-N 430.533 4.627 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCCOc2ccccc2C)ccc1OC(C)C 1874567162 IZCTVUAWSSHOPW-BUVRLJJBSA-N 440.569 4.565 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)NCc1ccco1 1874631406 AKAUWAYKLRUXEY-CSKARUKUSA-N 449.503 4.505 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3cccc(OC)c3)c2)cc1 1874697290 ZIESTNQUQPKLJY-NTUHNPAUSA-N 448.471 4.593 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)c1cnccn1 1874715212 IRLYPBSAFIBAGG-GQCTYLIASA-N 438.867 4.571 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)CCCSC)c(OC)c2)c1 1875147058 KRBPXDCDRLNOJZ-JXMROGBWSA-N 430.522 4.657 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 1875159268 KTRQGIKXZVQWEL-QLKAYGNNSA-N 434.419 4.875 30 10 IJEE Cc1c(C(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)cc1N(C)C(=O)OC(C)(C)C 1887551743 GZAJGBBMKMFUKT-UHFFFAOYSA-N 447.381 4.621 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cccc(Cl)c2Cl)[C@H]1c1ccc(C#N)cc1 1890577638 ALHRUVJBXGEEOW-UXHICEINSA-N 448.375 4.897 30 10 IJEE CCOc1ccc(F)cc1NC(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1 1890689784 IAXZFUHYKSPKFX-UHFFFAOYSA-N 440.500 4.668 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 1890933245 IDMVZINNVAPIOH-CYBMUJFWSA-N 449.370 4.999 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(Cc3ccccc3)cc2)c1 1891706852 NXGNNCTYNFIRDR-UHFFFAOYSA-N 426.560 4.936 30 10 IJEE C#Cc1ccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc1 1951586066 UTGVINWQIDLMIJ-RPBOFIJWSA-N 437.495 4.717 30 10 IJEE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)nc1 1952453379 YOEAMLWOXAZOHZ-QHCPKHFHSA-N 441.487 4.644 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C)(C#N)CC1 1984696002 VNBYZLHYMSJZSW-XMMPIXPASA-N 445.563 4.702 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1991561516 XLOPWFMZISXXHR-BVFVYWQFSA-N 444.575 4.954 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C1(N(C)C(=O)OC(C)(C)C)CC1 2000206294 VUTBJOUGOZNADU-SFHVURJKSA-N 431.533 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C12[C@@H](NC(=O)OC(C)(C)C)C3C[C@H]1[C@H]2C3 2012846796 REXNVDZZKFRZKT-OQYZOSMXSA-N 426.601 4.677 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@]1(C#N)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2038661369 IOXHLDZMQUFMSB-FTJBHMTQSA-N 439.600 4.884 30 10 IJEE C=CCN(CCC(=O)N(C)[C@@H](C)c1cc(Br)cs1)C(=O)OC(C)(C)C 2066523028 IGOUUOZZKIIRJY-ZDUSSCGKSA-N 431.396 4.843 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Cl)c(Br)c2)NC)C1 2077086143 RPRKNHSOVKSMCL-MRXNPFEDSA-N 429.786 4.847 30 10 IJEE N#Cc1cnc2c(-c3cc(F)c(F)cc3Br)c(C(F)(F)F)nn2c1Cl 2081473659 VPIGHZDRDVQKRV-UHFFFAOYSA-N 437.553 4.981 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2081875850 HXYRLSSFRVYAII-UZUQRXQVSA-N 449.523 4.532 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)cc2Br)C(F)(F)CC1 2092407672 QLVWRRVIPGMFNG-HNNXBMFYSA-N 430.293 4.767 30 10 IJEE Cc1cc(C(=O)[C@H](C#N)c2ccccc2Br)ccc1I 2207027706 OYSYDVDZQMTNTG-CYBMUJFWSA-N 440.078 4.852 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2235721678 BDDDULXUTNQZQL-OALUTQOASA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C 2235723171 DRTVZNHNCRCQDV-NSISKUIASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)C#Cc3ccccc3Br)CCC[C@@H]12 2235727039 QBGFRUCTMWMUPA-GCJKJVERSA-N 432.358 4.940 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2235730782 PASYUSMMQGUJKX-QWFCFKBJSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc([C@@H](O)C#Cc3ccccc3Br)cc2C1 2235740438 ONQIYNQNWPTLQV-KRWDZBQOSA-N 448.382 4.889 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2235749704 MSXMPELZIKJZIU-RBUKOAKNSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#CC(C)(C)C)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248458053 ISZGSFRROKSITD-QFIPXVFZSA-N 428.617 4.858 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(F)c(F)c(Br)c(F)c1F 2267840563 DIUDXLFGAJHSNM-GLEZIHRCSA-N 441.263 4.865 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl 2296124607 KRTZTSBBFUMAHJ-LJQANCHMSA-N 434.319 4.760 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C 2296221646 KLQGZECHLOMIPX-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@@H](O)C#Cc1cccc(Br)c1)C1CCCC1 2296232884 REVGZRUSXCTWSV-ICSRJNTNSA-N 436.390 4.883 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296276556 JFFMYXTVLNHIJE-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2cccc(Br)c2)CC(C2CCC2)C1 2296284749 UKPDPZOBEARDMV-OZWAEMERSA-N 433.390 4.602 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@H](O)C#Cc1ccc(Br)cc1)C2 2296289910 XACSCDDOYCGQAV-IAPKMXHRSA-N 434.374 4.635 30 10 IJEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)sc1C 2296923843 CDBFIMIAGKUWQK-SFHVURJKSA-N 440.908 4.745 30 10 IJEE C[C@@H](Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2317308281 JHDLLDOFVAHFKY-MRXNPFEDSA-N 431.386 4.830 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)cc2Cl)cc1C 2321229983 WRMSZKCDRGGOIE-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(OC)c(C)c1 2322413085 WKUUEBJZLTXFCV-UHFFFAOYSA-N 447.325 4.994 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)NCc1ccco1 2323437691 LPVXJZZNDVBXEW-UHFFFAOYSA-N 445.515 4.758 30 10 IJEE CCOc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccco2)C3=O)cc1OC 2323692074 BGPIHTXACHNLNF-UHFFFAOYSA-N 432.428 4.922 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)Cc1ccccc1[N+](=O)[O-] 2325750850 RDEOGAHBFPEHHD-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC(C)=O)cc1 2326736210 MCQZHVFYJCRXKS-UHFFFAOYSA-N 426.517 4.860 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)cc1 2328345613 FYSZSKZCPNHPOY-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE CCCOc1c(C=Nn2c(Cc3ccc(OCC)cc3)nnc2SC)cccc1OC 2328561744 GSAWUCAECCYHKN-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE CCOc1cc(C=NNc2ncnc3c2[nH]c2cc(OC)c(OC)cc23)ccc1OC(C)C 2328835852 CCQIADWNEBOQQI-UHFFFAOYSA-N 449.511 4.760 30 10 IJEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccncc2)c1 2329171083 IEHBALBYFFNTID-UHFFFAOYSA-N 429.549 4.778 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 2330935683 CPNGLJRPFVQVKW-IBGZPJMESA-N 445.855 4.627 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C2CCCC2)c1 2331032873 SRSOZVSRFNGNSR-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331142301 NBPNBYZZGMMXAS-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(Cl)cc1 2331430373 LKIBFHNFVFIUGK-UHFFFAOYSA-N 445.951 4.882 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)cc1 2331485013 JOSIFRZOBNEGRS-UHFFFAOYSA-N 435.553 4.557 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2c(F)cccc2Cl)o1 2331529334 XWRCJHLRFOZVRK-UHFFFAOYSA-N 448.907 4.892 30 10 IJEE CCOc1cc(C=NNc2oc(Cc3cccc4ccccc34)nc2C#N)cc(OC)c1O 2331932777 UYIFICQALCRXGX-UHFFFAOYSA-N 442.475 4.849 30 10 IJEE CN[C@H](C#C[C@H]1CC1(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2365083219 OPWUPYYULQEVMG-QXAKKESOSA-N 435.406 4.522 30 10 IJEE N#CCCN(Cc1ccc(I)c(Br)c1)CC1CCCC1 2377400435 FQGDGVQMLIGRDP-UHFFFAOYSA-N 447.158 4.960 30 10 IJEE Cc1ccc2c(C)nc(/N=C3/NC4=C(C(=O)CC(C)(C)C4)[C@@H](c4ccccc4)N3)nc2c1 22469421 QENIXGOSKIMQHT-HSZRJFAPSA-N 425.536 4.811 30 10 IJEE C=CCn1c(SCc2nc(-c3cccc(C)c3)no2)nnc1[C@@H]1COc2ccccc2O1 30922617 ANJAVMMJAHTVPR-IBGZPJMESA-N 447.520 4.627 30 10 IJEE CCOc1ccccc1/C=C1/Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2C1=O 34254749 UYIDDBLWJYIBNE-LPYMAVHISA-N 431.400 4.829 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1 38256240 LSKPUXCDUWZAEC-VOIUYBSRSA-N 443.499 4.944 30 10 IJEE COc1ccc(OC)c(/C=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)c1 39866499 QBGPJBHVWRYXCR-NOQVSKCTSA-N 444.582 4.800 30 10 IJEE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/Nc1ccccc1)CCC2 40824139 IOVQBOGPUPBVTJ-XAYXJRQQSA-N 428.536 4.703 30 10 IJEE COC(=O)c1cccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)c2C)c1 59105811 BANDOGSDZFSKNJ-BKUYFWCQSA-N 449.507 4.911 30 10 IJEE CCCOc1ccccc1/C=N/Nc1nnc2c3cc(Br)ccc3n(C)c2n1 65002979 RRHSYWJNAYJRKA-WSDLNYQXSA-N 439.317 4.514 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)S/C(=C\c2cc(OC)cc(OC)c2)C1=O 103170125 JVEXQLUHIYGDFL-UNOMPAQXSA-N 425.506 4.556 30 10 IJEE CC(C)Oc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 103221418 FTXDFROJDUZKRH-FEYWKWKCSA-N 446.478 4.630 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2C)cc1 169926722 KTQOMWUEWZUSRD-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(O)cc2)c(C)c1 169962376 SILMKPDQYUFGDQ-QHCPKHFHSA-N 445.471 4.506 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(O)cc2)cc1 169962466 NVOJJRGGJGXIFO-QHCPKHFHSA-N 429.472 4.752 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169971096 COXMLYVLBQXMTO-FQEVSTJZSA-N 434.517 4.865 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccs2)ccc1F 169989909 PIXGWTLLLMOPCS-IBGZPJMESA-N 433.464 4.855 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccncc1 170019571 HFPYGZBYXWLBQM-NRFANRHFSA-N 448.862 4.555 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 170050806 BAAQOFGMJYLUIQ-QHCPKHFHSA-N 441.483 4.873 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)cc2)c1 170057003 IZLCAKIRYHTQIP-NRFANRHFSA-N 443.927 4.742 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 170064715 RUZDLDBVANOCCB-XMMPIXPASA-N 446.522 4.899 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170092863 MKYZSKBVGGZKDJ-OAQYLSRUSA-N 443.411 4.595 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccco2)s1 170096229 KASXSHRKGAVNJL-HXUWFJFHSA-N 447.516 4.655 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170130059 FYUZSLWULPKDOY-XMMPIXPASA-N 446.547 4.599 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)cc1 170183197 GDQDQUMWNIKCDH-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)cc1C(C)C 170237555 QTOVJRRKDIBCBM-QFIPXVFZSA-N 441.499 4.573 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2F)cc1 170250873 IPOUSAQOKQKFQM-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)c1 170278929 HTAPUYBSQJZQNJ-QFIPXVFZSA-N 428.444 4.943 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)cc1C(C)(C)C 170292234 YVWVLHNBQDFEQG-JOCHJYFZSA-N 446.503 4.759 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)o2)cc1C 170310708 OGVHTEHEEGGCBL-JOCHJYFZSA-N 441.524 4.607 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(F)cc1 170313920 BGGWWJACFQYQNH-SFHVURJKSA-N 438.436 4.887 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1Cc1ccccn1 170316462 CDKOJBDMODFUCO-HXUWFJFHSA-N 429.501 4.711 30 10 IJEE CN(C)c1ccc(/C=N/N=C2/S/C(=C/c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 210653202 VVJZTPJYNQUGQZ-WTGMLGSZSA-N 446.532 4.558 30 10 IJEE C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccc(C(C)(C)C)cc1 254853634 GUAXBBIYTZLWIC-UHFFFAOYSA-N 436.519 4.660 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2CCN(c3ccccc3)CC2)cc1C 470692794 IJFWWQZIILABML-UHFFFAOYSA-N 441.579 4.727 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccccc3)c2)cc1 475646288 BKIFOGBOPXZVEK-RPBOFIJWSA-N 427.504 4.983 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1)c1ccc(F)c(F)c1 483309508 OYSONHIISBNHSR-GHTZIAJQSA-N 437.494 4.956 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 503057117 XUXWBPRNDSTSJO-DEOSSOPVSA-N 426.520 4.807 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508921452 ZAZHXFNRDUVHRZ-MRXNPFEDSA-N 434.569 4.870 30 10 IJEE Cc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 526520031 DKNGVWOGMROFKW-QFIPXVFZSA-N 427.416 4.538 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](C(=O)OC)C1 558965534 WRQDWJNGUDELQI-NQIIRXRSSA-N 434.540 4.537 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 566525366 OPZFSOLBDHJZEG-UHFFFAOYSA-N 443.219 4.532 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(N(CCC)C(=O)c2cccs2)CC1 566785249 ZLCDOWAZMZCMJC-UHFFFAOYSA-N 439.585 4.697 30 10 IJEE N#Cc1cccc(Cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)c1 574896553 BXNARJAVBIFKAE-UHFFFAOYSA-N 428.292 4.554 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)Cc1cccc(C(F)(F)F)c1 586162487 UIFIDOLIKJRXNX-UHFFFAOYSA-N 440.487 4.826 30 10 IJEE N#Cc1c(NC(=O)C[S@](=O)Cc2ccc(Cl)cc2Cl)sc2c1CCCC2 586300392 VPTGDGNDIVTGBO-AREMUKBSSA-N 427.378 4.693 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/N[C@@H]4CCCC[C@H]4CS3)COC2)cc1 705692331 ORRZZOWNVBPAQC-BJKOFHAPSA-N 435.637 4.709 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 711087339 MJLWJFQPVVTFGY-KKSFZXQISA-N 436.557 4.853 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(OC(C)C)cc1 733201981 ZVWPPPZZDOFAMI-JOCHJYFZSA-N 449.576 4.766 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3c(Br)cccc3[nH]2)ccc1OC 733277573 MSLJORBXIQFPLE-AWEZNQCLSA-N 442.313 4.550 30 10 IJEE COc1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1C#N 747244992 VSEDZIXNXODURA-UHFFFAOYSA-N 426.476 4.534 30 10 IJEE CCO[C@@H]1C[C@@]2(NC(=O)N(c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)C2=O)C1(C)C 771821273 YVIOEBDMFOYXSN-FPGHNAPASA-N 437.927 4.625 30 10 IJEE C=CCC[C@H](C)OC(=O)CCCc1nnc(-c2ccccc2I)o1 772781197 DZXHNEFDQWKNSS-ZDUSSCGKSA-N 440.281 4.562 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 778771598 JLPSTUDKTJRILG-UHFFFAOYSA-N 443.478 4.988 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@](C)(CCC)C1 802568456 AHERLVUQVJRATB-XMMPIXPASA-N 425.577 4.687 30 10 IJEE O=S(=O)(c1cc(N=Cc2ccccc2F)ccc1N1CCCCC1)N1CCCCC1 1084014705 AMYRYSZKJKXQNB-UHFFFAOYSA-N 429.561 4.741 30 10 IJEE C#CCC1(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2cccc(OC)c2)CC3)CCCCC1 1125849239 SKLHICSKDJWEAP-UHFFFAOYSA-N 430.548 4.739 30 10 IJEE C#CCN(C(=O)CCCOc1ccccc1F)[C@@H]1CCOc2ccc(Br)cc21 1126228513 IXXYBVLHTUJFAI-LJQANCHMSA-N 446.316 4.733 30 10 IJEE C=CC1(CC(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1137719081 SRSWQFSJBKSIQR-FCHUYYIVSA-N 442.600 4.695 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1 1137843322 BJIBCWGABXNNBF-DEOSSOPVSA-N 430.479 4.903 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 1139787975 HNKWRNGSSOWBGV-FQEVSTJZSA-N 434.392 4.636 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2cccnc2)nc2ccccn12 1143870357 WHWIDTSRTWOFEL-GOSISDBHSA-N 435.528 4.584 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(-c2ccc(Br)s2)s1)C(=O)OCC 1158288861 PUHCJRYUYBVBBV-NSHDSACASA-N 428.373 4.867 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1166518096 KFDWXXZWRGEEDW-WZONZLPQSA-N 442.581 4.751 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 1195297256 WCTLWDMTAKALCO-OAQYLSRUSA-N 429.969 4.830 30 10 IJEE COc1cccc(-c2cc(CNC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)on2)c1 1214531405 CAJZHMLROICXJW-UHFFFAOYSA-N 445.504 4.591 30 10 IJEE C=CCOCCCNC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1214929469 UXKVNFLWFDMKBK-UHFFFAOYSA-N 435.446 4.980 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccc(Br)cc1 1252459311 QIQXUGQOLKZLRW-RBUKOAKNSA-N 433.733 4.560 30 10 IJEE C#CCOc1cccc(NC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)c1 1265133318 IOOGYKZKWPOSNB-UHFFFAOYSA-N 429.307 4.962 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OCC(F)(F)F)nc1 1275389647 MLCLMWFHLWBWRO-UHFFFAOYSA-N 431.208 4.602 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1286318199 YOZPLDRGXVASFR-UHFFFAOYSA-N 446.477 4.707 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](CCC)C1 1286337624 OHTISXOGYKNTNP-FQEVSTJZSA-N 435.597 4.796 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2ccc(Cl)nc2C1 1286344578 RDIUDVARDHQFRN-UHFFFAOYSA-N 442.350 4.632 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](CC)C1 1286357294 SNFZJJQIOLUPAJ-DOTOQJQBSA-N 437.371 4.581 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)ccc1OC 1286437623 KFEDCIZPJYKSES-INIZCTEOSA-N 438.572 4.787 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCC2(CCCCC2)O1 1286453786 WURMBCGGOJEKQJ-UXHICEINSA-N 440.563 4.899 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cc3ccccc3s2)CC1 1286637070 SWRMVBCKPFZYNM-UHFFFAOYSA-N 437.613 4.810 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cc(Cl)ccn1 1286695586 CTBXYWHSSGLLAS-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCSCC1 1286707070 APTKAKGGMSGECT-UHFFFAOYSA-N 435.018 4.959 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CC1CCN(c2ccncc2)CC1 1286759677 FZGQSNQZOVIDCA-UHFFFAOYSA-N 444.627 4.948 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(C)CCCO1 1286763825 VKWLUSZFSRJSII-QHCPKHFHSA-N 426.948 4.996 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)CC)C1 1286801175 ADZJJTYVSBNFPY-CQSZACIVSA-N 439.423 4.987 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CC(C)C)CC2)C1 1286803957 KLTYIWMCDCQRNM-QGZVFWFLSA-N 448.409 4.643 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1 1288483832 CLEWASHROKIJSK-MWTRTKDXSA-N 433.537 4.576 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CC1 1290204777 ATGWYXWICLNTDU-UHFFFAOYSA-N 428.554 4.879 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1-n1nc(C)cc1C 1291531573 FBIWOXSAQZBGGG-AVRWGWEMSA-N 431.588 4.773 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 1292759150 AJMCQERKMBHXLT-UHFFFAOYSA-N 445.615 4.596 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2)c1C(F)F 1300131887 OLLMCOFWEPTEKY-MRXNPFEDSA-N 434.487 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccc(Cl)cc1 1300287122 UOEDPGFWKNAPMS-CABCVRRESA-N 430.339 4.572 30 10 IJEE C#CCCCCn1c(N(C)Cc2cc3ccccc3o2)nnc1[C@@]1(OC(C)C)CCOC1 1300375939 CUPZXEVXGFENJP-RUZDIDTESA-N 436.556 4.505 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1300742630 PSROANDYAQHBNA-RXVVDRJESA-N 426.630 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1 1300895693 UOEFOUFTZJTYNF-PYXMZCFHSA-N 430.637 4.660 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1301059339 XUGIQRAEWTYJDZ-SJKOYZFVSA-N 437.769 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1301152259 XIDPBRWMXFOYTI-FQEVSTJZSA-N 442.583 4.618 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cscn1 1301241097 NIWAUMNLGULIFP-UHFFFAOYSA-N 443.642 4.961 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1oc(CC)nc1C)C1CC1 1301317628 VLHAPKRLXJOZCF-UHFFFAOYSA-N 448.390 4.831 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCC(F)(F)C1 1301426760 WGWLZIKEIUQEPF-SFHVURJKSA-N 436.522 4.862 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(F)(F)F)C1 1301566800 QVWYWIYQHITPIS-LJQANCHMSA-N 436.522 4.823 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCSC1 1301594673 IKELKFMJISZITD-MOPGFXCFSA-N 432.659 4.896 30 10 IJEE CC1(C(=O)NCC(=O)c2cc(Cl)ccc2F)CCN(c2ccc(Cl)cc2C#N)CC1 1301896859 BZOHVFIRAFTIEK-UHFFFAOYSA-N 448.325 4.610 30 10 IJEE CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1305899654 GRMYCACHZHDNHM-LJQANCHMSA-N 431.382 4.746 30 10 IJEE CN(Cc1ccc(Cl)cc1C#N)Cc1cccc(Br)c1OCC(C)(C)O 1307687615 FXMOMZMLPPPWKL-UHFFFAOYSA-N 437.765 4.756 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1)c1ccccc1 1309324240 QGKPSPUWIQPBHH-QGZVFWFLSA-N 447.379 4.616 30 10 IJEE C#Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1 1311262654 DDEIDHPGBDQDBT-CZUORRHYSA-N 445.869 4.631 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](COc2ccccc2F)C(C)(C)C)cc(OC)c1OC 1311748698 RSPYKMROCDOHEX-JOCHJYFZSA-N 444.547 4.864 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccc(Br)cc1 1312936800 LLMACMITLRPPLQ-MJGOQNOKSA-N 433.371 4.576 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1316529996 CYQBIQBDKXXMHW-RZQQEMMASA-N 439.432 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SC)c1 1358872653 XDHSONRNFDFBSC-JKSUJKDBSA-N 441.988 4.695 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC(F)(F)C1 1359019012 IIRSMTOVUBGCHF-PMACEKPBSA-N 446.542 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1cccnc1)C(C)C 1359071123 FBIDMDWCNQPMGT-ZEQKJWHPSA-N 431.559 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)c1nccs1 1359108323 JLZDYHPGDWJTPF-QGZVFWFLSA-N 433.585 4.998 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1359154933 HKCUDLMRPJDXNG-NHCUHLMSSA-N 445.007 4.869 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1359175796 ZXLBDCLQTLKVLL-UHFFFAOYSA-N 449.599 4.628 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1359209411 MEZSDMMPUBWSKS-NVXWUHKLSA-N 436.398 4.643 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1359219092 GQNCRNUDEHAHJY-MRXNPFEDSA-N 449.393 4.590 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1C[C@@H]1C 1359262401 RZWUBGSMEXOTKN-LSDHHAIUSA-N 446.418 4.956 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](OC(C)(C)C)C2)cc1 1359307247 FGVOOUGUNFVFMB-QFIPXVFZSA-N 449.599 4.681 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccc(Cl)cc1 1359340935 FZTOZBFNGCERKM-UHFFFAOYSA-N 428.005 4.900 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 1360227718 FNHGDYSWFJQCJZ-HNNXBMFYSA-N 443.573 4.856 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)CCCC1(C)C 1436084336 WUMBYCQPUCIGHJ-SFHVURJKSA-N 427.010 4.624 30 10 IJEE C=C[C@H](C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2)c1ccccc1 1443218541 TYANOSWBACZKKF-DEOSSOPVSA-N 426.516 4.735 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 1447791996 HWSFYCBPQBESTK-UHFFFAOYSA-N 431.423 4.563 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCc3ccc(F)cc3[C@H](C)C2)nnc1-c1ccco1 1461267366 XJSJLUSGLQFOIY-MRXNPFEDSA-N 440.544 4.534 30 10 IJEE C#CC[C@H](CCOC)NC(=O)C(C)(C)c1csc(-c2c(Cl)cccc2Cl)n1 1461930769 AANKYCPHGWIBNX-CYBMUJFWSA-N 425.381 4.939 30 10 IJEE CC[C@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)[C@H](CC)CN1C(=O)OCc1ccccc1 1466772772 GBHGAFJECBGGEQ-RTWAWAEBSA-N 438.503 4.741 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)c1ccc(F)cc1 1470656387 BHNUWXZUCPUFOP-JYFHCDHNSA-N 444.506 4.875 30 10 IJEE FC(F)Oc1ccc(CNCc2ccncc2OCC(F)(F)F)c(OC(F)F)c1 1474125963 DBVWUNDEUKOHJJ-UHFFFAOYSA-N 428.304 4.515 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](C)C2)C1 1505213342 AZJJAXOCQNFFEU-CZTZKLFOSA-N 439.629 4.887 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(C)(C)C)CC1 1507558332 QIJRHXXHTFDONX-IBGZPJMESA-N 439.673 4.855 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1507847341 GISLIUMZEMFKOR-GOSISDBHSA-N 432.996 4.976 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCOC[C@H]2C)CC1 1507877503 JDNQTDJJPXIOES-HZPDHXFCSA-N 449.368 4.676 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)CC1 1507879885 HTBDSINRUQEKFO-IBGZPJMESA-N 436.535 4.611 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(C)CCCO2)CC1 1507898781 UYKAOMRCTGJXGY-NRFANRHFSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN(C)C(C)C)CC1 1507908741 CUJQJDZDVNVJIX-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncccc2F)CC1 1507911018 HPCMLAGNFZSUAX-UHFFFAOYSA-N 448.590 4.971 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccsc1 1507918193 CUYYLPJNBKROJU-UHFFFAOYSA-N 429.615 4.570 30 10 IJEE C=CCCCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1507937810 UNFXTQYCXYQZBT-QHCPKHFHSA-N 449.643 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(F)cc(OC)c1 1507974829 KXVOODAVOFNAMQ-UHFFFAOYSA-N 437.338 4.587 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1OC 1507974868 LGABYTUINMITHP-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCc1nccs1 1508011827 NWRMJMGCKMNWFI-UHFFFAOYSA-N 430.375 4.585 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)OCCC)cc1 1519588429 IGLAULPRLSIZRX-UHFFFAOYSA-N 430.298 4.670 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2cccc(Oc3cc(OC)cc(OC)c3)c2)cc1 1520997658 XOSQGEGKIAWOKA-UHFFFAOYSA-N 431.488 4.828 30 10 IJEE N#Cc1ccc(OCC(=O)N(c2ccccc2)C2Cc3ccccc3C2)cc1Br 1524925475 FXGDUMNPQCXLEC-UHFFFAOYSA-N 447.332 4.900 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(C)CCC(C)C)c1 1527672208 NDHLEYDQAZMDSD-UHFFFAOYSA-N 434.989 4.839 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccc(Br)cc2)c1CC 1528685540 IMHIWGUJZKFHAT-UHFFFAOYSA-N 449.352 4.897 30 10 IJEE COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1530180167 DRDFBVZGBWBEGX-GHMZBOCLSA-N 429.332 4.894 30 10 IJEE C=CC[C@]1(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CCCN1C(=O)OC(C)(C)C 1530346385 YXNJDDVWAIUPTA-JOCHJYFZSA-N 446.548 4.552 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC 1530819099 HMPVXQBICNRXOL-INIZCTEOSA-N 434.579 4.694 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)cc1 1534583495 GYHRDKDLGRMJKL-GJZGRUSLSA-N 445.610 4.588 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1 1537507373 CXDGELVDSXDSHE-FQEVSTJZSA-N 433.458 4.946 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)cc1OC 1537871498 SRFKPZPDRKIJBS-YRNVUSSQSA-N 434.458 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCCC1(C)C 1538985112 WJOVIBUOXWGDHN-BXKMTCNYSA-N 426.630 4.675 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])cc1 1539198332 VKLOIXYWEHUNKP-UHFFFAOYSA-N 431.448 4.919 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCN1CCC(C)CC1 1539246109 ILFOPEOCRJDLTM-UHFFFAOYSA-N 445.655 4.828 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C1CCCCC1)N(C)C 1539346559 GGEKVZMPKVTIHY-VWLOTQADSA-N 444.627 4.772 30 10 IJEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1539525107 SSFGYPPSHQBPLZ-UHFFFAOYSA-N 446.407 4.616 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1539735521 PHUWEWBMGCNABC-XMSQKQJNSA-N 440.519 4.545 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1539882377 JIHZQXLZOMWXTQ-RXFWQSSRSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539909906 AXSSCDHKZKRQLQ-SFHVURJKSA-N 444.023 4.894 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1539989536 XQDKGKYICJCYKG-UHFFFAOYSA-N 426.908 4.547 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCN(C2CC2)C1 1540046898 AYDMAVDFLZFOAP-RBUKOAKNSA-N 444.023 4.795 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@@H]1C)C1CC1 1540116168 NTSWWOJLMUTMLK-AOMKIAJQSA-N 433.021 4.930 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCC(C)=C(Br)C1)C(C)C 1540151164 DXAYFRCWBPAXAP-FQEVSTJZSA-N 448.453 4.733 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1540919193 IXKCJQPHSFPUKF-KRWDZBQOSA-N 426.611 4.637 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@@H]2CCCC[C@@H]2C)cc1C 1542449841 ACKAVBZKKGQAIG-QMHWCDLVSA-N 439.604 4.665 30 10 IJEE COC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1554568833 CQJQAUBAHMJYQE-AOMKIAJQSA-N 431.968 4.627 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C(C)C)C2)CCC1 1555861294 DQVWLYVVPZLOQP-LJQANCHMSA-N 427.643 4.680 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 1556350144 OFHMWRVXZMOOTN-IBGZPJMESA-N 440.588 4.799 30 10 IJEE C#CCN(C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@@H]1CCCc2ccccc21 1558542365 UDHUBSXRRNEACN-AUSIDOKSSA-N 447.579 4.953 30 10 IJEE N#Cc1cccc(CS(=O)(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)c1 1561146906 FPRIMSIEFZLRPP-UHFFFAOYSA-N 436.499 4.752 30 10 IJEE C#CCN(C1CCCCC1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1561195844 CVUCVILXSVZYLG-UHFFFAOYSA-N 439.400 4.529 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O 1564553893 HQCQPDXEXNEMGG-AOYPEHQESA-N 437.559 4.639 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1565000017 RTMDUBBDHAWCJF-UFYCRDLUSA-N 449.776 4.834 30 10 IJEE C#CCN(C(=O)c1ccc(N(CC)CC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1565764220 GUDVVRHKARYLMR-OAQYLSRUSA-N 441.369 4.895 30 10 IJEE C=CCC[C@H](NC(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)c1ccc(C(F)(F)F)cc1 1566676484 YIWFWPXZKXUKEG-MSOLQXFVSA-N 444.494 4.759 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)CCCN1C(=O)OC(C)(C)C 1585175988 CSKZNGMXSFUYTL-QHCPKHFHSA-N 440.569 4.927 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccnc1 1587561936 JBQFIHYLIRGOAZ-RBUKOAKNSA-N 437.975 4.784 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCSc1ccc(C)cc1 1587574723 KZMDJTZHDHZLFA-HNNXBMFYSA-N 444.402 4.594 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cccc(F)c1 1587587046 WVSDGONTCGWACX-DLBZAZTESA-N 438.572 4.807 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cccc(C(F)(F)F)n1 1587676984 AARVJQQYBRKLKN-MRXNPFEDSA-N 445.514 4.799 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1587837369 BFDHRMBIWYMJRO-MOPGFXCFSA-N 442.007 4.533 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCCN1CCC 1587921887 LSBMPUBXSXFPJV-DEOSSOPVSA-N 444.627 4.687 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 1587980027 VIQFDIMUURTZMF-FZKQIMNGSA-N 425.356 4.746 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](CC)C1 1588983671 BIDAFILLSBIJDL-UXHICEINSA-N 444.670 4.733 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1589317842 VQPQWTWWWHJINZ-CZUORRHYSA-N 446.176 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(C)C)C1 1589557391 HRGBEEJCCCOVSX-HWBMXIPRSA-N 438.616 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC12CCOCC2 1589615325 PDTXAHMRYNWTPN-KRWDZBQOSA-N 430.980 4.826 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCCN2CCC)CC1 1594133678 BRNXQJVRYRQCIV-FQEVSTJZSA-N 441.645 4.610 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1594582830 VEJSIXSUIFGZMG-QHCPKHFHSA-N 434.588 4.658 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1594709524 XUESQRIMBFBGOV-QFBILLFUSA-N 445.995 4.914 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCN1CC=CCC1 1595161655 HFNQYNANMFLKDD-UHFFFAOYSA-N 437.588 4.524 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1595343110 AMWCUFMWNBDEFI-GOSISDBHSA-N 439.604 4.780 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N 1596886830 RECIDMMZCGRTOF-UHFFFAOYSA-N 442.269 4.910 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)cc(OC)c1OC 1598109867 BHPGJGIFFUIRPC-LJQANCHMSA-N 448.604 4.720 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 1613241015 LJGZZYGCXPDMFI-QGZVFWFLSA-N 434.439 4.608 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1 1618174386 WOSKPWIQIXJCPS-UGSOOPFHSA-N 429.567 4.821 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CCC1 1620227047 BOUUETQRTZUEON-IBGZPJMESA-N 439.629 4.887 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1 1622736896 HVKRHSOMDNMZLW-UHFFFAOYSA-N 445.548 4.663 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(C)C 1628517363 QRUHQLJSNIYWBP-GHTZIAJQSA-N 440.415 4.855 30 10 IJEE C#CCOc1ccc(CNC(=O)NCCCCSc2ccccc2Br)cc1 1632002654 GVDUGUDDRQXXIR-UHFFFAOYSA-N 447.398 4.833 30 10 IJEE N#CCCN1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)CC1 1635905606 FHIOWYIQPFONSK-UHFFFAOYSA-N 434.392 4.957 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H](C)Cc3ccccc3C(F)(F)F)n[nH]2)c1C 1636166672 GAEMOIUMWCBTRY-AWEZNQCLSA-N 445.489 4.798 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c1 1637044271 AFGVOALGYIAKAG-QGZVFWFLSA-N 437.849 4.760 30 10 IJEE C#CCN(C(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)[C@@H]1CCCc2ccccc21 1639321343 BSKNQJDNSSFCQP-HSZRJFAPSA-N 435.568 4.511 30 10 IJEE C#Cc1cccc(N(CC)CC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1 1642250292 GDVBARCKJBJVRC-SANMLTNESA-N 432.589 4.913 30 10 IJEE Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(Br)c(C#N)c2)c1 1647797481 CFTOIZMQBVKOSD-UHFFFAOYSA-N 441.354 4.854 30 10 IJEE Cc1ccccc1NC(=O)Cc1nc(COc2ccc(Br)c(C#N)c2)cs1 1652242916 IBQVPAIYEKNUQE-UHFFFAOYSA-N 442.338 4.846 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1 1653341480 XLPHONFQIBURTF-GOSISDBHSA-N 430.957 4.512 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 1653662193 XRDCMIJWCULLBU-FQEVSTJZSA-N 431.458 4.507 30 10 IJEE C=CCOc1c(Br)cc(CN[C@]2(CO)CC[C@H](C)c3ccccc32)cc1OC 1657132038 SLPWJHWZMMYBTF-HJPURHCSSA-N 446.385 4.897 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)C2CCCCC2)ccc1Br 1659537587 FPGJJZYNWLAREN-HXUWFJFHSA-N 433.371 4.921 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c(C#N)cn1CC 1662770507 DIYPWQOBSNIQMG-JEBQAFNWSA-N 428.920 4.729 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)C(C)(C)C 1667157139 SNDLFIOZBYZJFI-IBGZPJMESA-N 442.357 4.549 30 10 IJEE C=CCOc1ccc(CNC(=O)NCC2(c3cccc(Br)c3)CCC2)cc1 1667178855 OKXCWIUOJDTQPY-UHFFFAOYSA-N 429.358 4.935 30 10 IJEE C#Cc1ccc(S(=O)(=O)N(C)[C@H](c2ccccc2)c2ccccc2Br)cc1 1671304395 IOXMOQAVVPOQRR-JOCHJYFZSA-N 440.362 4.841 30 10 IJEE CN(CCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)Cc1ccc(F)cc1 1674960257 FPFMKQANGCFHKW-UHFFFAOYSA-N 436.462 4.882 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 1678964413 FUCMPBJMMVAKNG-NTKDMRAZSA-N 428.536 4.882 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1681716398 BJYVAQOKUGITCV-LJQANCHMSA-N 427.504 4.818 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C 1682876919 DCLDJPJPSVWWQV-UHFFFAOYSA-N 433.552 4.719 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1686920303 VSIDDAHBILHEFT-SFTDATJTSA-N 425.573 4.620 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[C@@H]2CC)c1 1689868351 DICFCTWCGWJKEQ-SFTDATJTSA-N 445.567 4.729 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1689955674 PIDDQWCNJXRNNV-ISKFKSNPSA-N 438.616 4.891 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C1CCCCC1)N(C)C 1690060880 LMVLRFJMSCZTEX-XMMPIXPASA-N 433.644 4.718 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1ccccc1C 1690240258 CXKDEWVABNHZBI-NFBKMPQASA-N 436.556 4.651 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690304470 CYOQRXLIMKPIIZ-NVXWUHKLSA-N 434.462 4.919 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSC[C@@H]1C 1690319344 JQGTXIHMORFTGZ-IBGZPJMESA-N 444.645 4.689 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1690437924 UIBHHTFUCPSRLD-UHFFFAOYSA-N 425.602 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690439941 UEODTEAUFSJFKY-RTBURBONSA-N 442.585 4.595 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(c2ncccc2F)CC1 1690476483 DXXZUGAPLRSWSX-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCOC[C@@H](C2CCC2)C1 1690477567 CEJYSEZRKTZFAR-SFHVURJKSA-N 445.405 4.927 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCCCC2)C1 1690503211 URHSZJZFBXIUCM-UHFFFAOYSA-N 448.970 4.870 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1C[C@H]1CCN(CC(F)(F)F)C1 1690563094 GXRIFQUBRMACGM-ICSRJNTNSA-N 435.538 4.868 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1690749357 AJOXOUVYDVCYNQ-QHCPKHFHSA-N 440.638 4.602 30 10 IJEE COc1cc(Cl)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1697289111 BBEJSYCNEDINJA-XFQXTVEOSA-N 445.995 4.645 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCO[C@@H]1CCCC[C@@H]1C 1705573864 PAMBQTBHJQPZSL-OEMFJLHTSA-N 448.611 4.703 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC(OCc2ccccc2)CC1 1705685650 FWCJKCVNBGXAQU-UHFFFAOYSA-N 431.378 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705703629 VJEUFPVDERSVEG-WPYKKVEZSA-N 442.579 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCOCC(F)F 1705712940 MSIKGSXKPOKAMV-UHFFFAOYSA-N 447.299 4.531 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705722112 VNHDFWDBPFVWHT-OAQYLSRUSA-N 437.632 4.950 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1)c1ccccc1 1705796279 BZSJMMZRCNVKAP-PKTZIBPZSA-N 435.616 4.791 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1(OC)CCCC1 1705856795 FXMVGKVXRKAXAF-UHFFFAOYSA-N 433.556 4.501 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1c(C)noc1C 1705866141 IOJWPGPXIHONGH-QFBILLFUSA-N 441.601 4.835 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1c(C)nn(C)c1C 1705877062 TZZUEUVQZCWEFP-UHFFFAOYSA-N 443.020 4.801 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1OCCC1(C)C 1705879284 TYWLVTHKMDMIIP-JOCHJYFZSA-N 436.556 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCc1nc(C)c(C)s1 1705880435 FVOXFOQJVOJDJZ-UHFFFAOYSA-N 448.596 4.793 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1705881865 DRWBWUVQQMETBF-GGAORHGYSA-N 440.632 4.943 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(F)cc2C(F)(F)F)C1 1705917844 ZVOGZYDRXZMPLK-INIZCTEOSA-N 426.458 4.563 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1705942039 GESPCXFOWPQLBB-XLIONFOSSA-N 448.423 4.756 30 10 IJEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)CCO1 1706124173 HUFKFWFLMITZDP-WOJBJXKFSA-N 443.542 4.894 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCC(F)(F)F 1722450819 CUHUIAWBRPELGY-AWEZNQCLSA-N 446.926 4.827 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(C#N)o1 1722475574 UGLPYRGUDKABPS-JOCHJYFZSA-N 437.956 4.729 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](SC)C1 1722543375 HMVBFGSMGUZKMJ-GOSISDBHSA-N 434.009 4.622 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1722580478 TYVHQKBEYWZUPC-UHFFFAOYSA-N 428.631 4.530 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722585692 GJIJVAWLPJBAMK-NYTJIUQPSA-N 432.971 4.937 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)Cc1cccs1 1722661991 BAMGSVBFHROJGV-QGZVFWFLSA-N 438.626 4.873 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)C1CCCCC1 1722676561 DGKLUSBBIBLTES-WIOPSUGQSA-N 442.604 4.679 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1Br 1722736037 RWMLLVYOPQQNSJ-UHFFFAOYSA-N 446.418 4.602 30 10 IJEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1740672866 XPJQVWUWHDZEKI-QPPBQGQZSA-N 449.624 4.570 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H](c1ccco1)N1CCCC1 1740675859 KHYDPPTZMOBYGH-QFIPXVFZSA-N 435.547 4.611 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1740709281 LOJIJUYODXKZAF-UTKZUKDTSA-N 447.048 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1740752060 RZPJPOAEFHPUTN-QDSKXPNFSA-N 448.615 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCc2nccn2C1 1740767694 YXEKGSXHRKSZDJ-FCHUYYIVSA-N 448.615 4.896 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC[C@@H]1C 1740769394 XPZRYHWETIEHOS-FUHWJXTLSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](c2ccco2)N(C)C)CC1 1740820625 KYDLROODEWLUFL-LJQANCHMSA-N 441.963 4.659 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1740844626 OSRNSZXYTAGNSI-FQEVSTJZSA-N 446.599 4.509 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([S@](C)=O)CCC1)C1CC1 1740907534 WNBZZYMHTVDLEI-NDEPHWFRSA-N 439.412 4.708 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC[C@@H](OC)C(F)(F)F 1740928901 ZFQWOAXMHURXJW-GOSISDBHSA-N 431.462 4.639 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1Cc1ccc(C)cc1OCC(F)(F)F 1740934353 COLMAHOTXWXZFF-UHFFFAOYSA-N 434.462 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCSC(F)(F)F 1748640339 TVXNQYCVZHNAQZ-GOEBONIOSA-N 426.508 4.746 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1748759277 FBMPAZGXFYIWPQ-FQEVSTJZSA-N 449.624 4.982 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749608111 MFJCDAMRNLVTCM-IYBDPMFKSA-N 446.020 4.545 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)c(F)c1 1760103323 CRNFGTNEOIZXHO-LLVKDONJSA-N 437.313 4.554 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC(C)(C)[C@H]1C 1760149939 TWKAKCGBRJPSSM-LJQANCHMSA-N 434.540 4.534 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC(C)C)C(C)C 1760152342 JFXRBRLOWFYQOG-UHFFFAOYSA-N 434.588 4.520 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1760166081 PKGZIGAFHDJGST-WIYYLYMNSA-N 440.016 4.813 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCN(C)C1CCCCC1 1760179972 RWQGKNXEYCRDLF-UHFFFAOYSA-N 425.646 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCc1csc(C(C)C)n1 1760296219 ODNOLIXMNJPGQC-XMMPIXPASA-N 437.588 4.823 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCC[C@@H](COC)C1 1760301501 CDZHMSAXERIFMM-OAHLLOKOSA-N 439.785 4.760 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(C)CC1 1760319954 VKBHANQUKKNTRY-ICSRJNTNSA-N 430.499 4.684 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CN(C)CCCC)CC1 1760376085 DMSGOXNZKXMMGJ-UHFFFAOYSA-N 434.003 4.709 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CCCCNC(=O)OC(C)(C)C)CC1 1760390282 CFEDBNZHZHMATG-UHFFFAOYSA-N 439.604 4.639 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)N(C)C1CCCCC1 1760456967 BGJQUAMNPUSAPJ-KRWDZBQOSA-N 441.645 4.545 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nc(C)cs1)C1CC1 1760470099 WDWGOFIKFZRNNA-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCCN(C)C1CCCCC1 1768632896 BGHFATDCHSRGTD-UHFFFAOYSA-N 443.599 4.503 30 10 IJEE O=C(C[C@H]1SC(=NN=Cc2ccc(-c3ccccc3Cl)o2)NC1=O)c1ccccc1 1772741953 PALALMHYAOSFQC-HXUWFJFHSA-N 437.908 4.795 30 10 IJEE CCCCCCCCCCNC(=O)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860937207 TYWDROHHCXHIRH-UHFFFAOYSA-N 432.996 4.821 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cccc(Br)c2)cc1C 1862409418 LACJOWPYBCHZBZ-IBGZPJMESA-N 442.309 4.507 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2c(F)cccc2Cl)ccc1F 1862504925 GTSPADFHAJPIIV-HXUWFJFHSA-N 449.881 4.668 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C)cc2)cc1 1862514224 GCZDBXWWGNGRSV-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862519541 MQNQTODHYAWXAH-QVKFZJNVSA-N 437.492 4.550 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2Br)c1 1862565740 FFZBLKFKMHPVRY-IBGZPJMESA-N 441.325 4.552 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccc(O)cc1)c1cccc(O)c1 1862590354 HFYUIWXAHCKWDX-NRFANRHFSA-N 435.863 4.530 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862668634 DGNSWNKLOWCOIR-LHSJRXKWSA-N 438.480 4.801 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 1862703317 UJTMTUSVHGNNOH-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862716381 FSMFUHKFVPBMPS-RCDICMHDSA-N 446.459 4.830 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccccc2Cl)C(=O)N(c2cccc(C#N)c2)C1=O 1863076702 WIJZNBYNHFFNJW-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CC2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545531 BOPSJTALTGTJHC-UHFFFAOYSA-N 425.573 4.618 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOC)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863632619 BVULKQCIIKRGGO-UHFFFAOYSA-N 427.372 4.670 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1ccc(C#N)cc1C(=O)c1cccc(C)c1 1865935497 ZLISAVMMBGXKHR-UHFFFAOYSA-N 426.472 4.680 30 10 IJEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870142829 WVKYIZIBRHIQAU-STZFKDTASA-N 425.879 4.972 30 10 IJEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870920468 PZCZWPHPRQSDAR-UHFFFAOYSA-N 434.536 4.859 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(F)cc3)c2C)C1=O 1871456693 QWRDZXRQOBPVQH-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1C 1871459721 ZDECZYNZITUFPZ-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871460807 FXOYNUOWIWZQAF-UCQKPKSFSA-N 432.520 4.833 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 1872026291 UWBOBDXLEPJFQK-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)C1CC1 1872205318 SNUYEWDVUPUZTI-DEOSSOPVSA-N 440.609 4.995 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872214161 UROYBCPOKDHJAU-MRXNPFEDSA-N 434.989 4.841 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)cs1 1872767209 UTHQNDZVSWBJQJ-OAHLLOKOSA-N 428.813 4.770 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCCc3ccccc3)cc2[nH]1 1872805010 VIQQFCLSZYHKKT-UHFFFAOYSA-N 427.504 4.679 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OC)c2)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276984 XZTVGZIRSOEHFG-UHFFFAOYSA-N 438.483 4.518 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N3CCCC3)cc1)n2CC=C 1873661803 DQXULMUKZORNBX-UHFFFAOYSA-N 442.567 4.648 30 10 IJEE OCCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874282542 NEOBEPFPCWHWGX-OEAKJJBVSA-N 435.380 4.727 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccc(F)cc2)o1 1874423654 XMBXOKGGDNLMPM-SSDVNMTOSA-N 442.497 4.700 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2O)c(C)c1 1874458056 VFSHGHBMJUBIAZ-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccccc1F 1874477999 NXCUCFUZRYYJKB-MFKUBSTISA-N 439.560 4.935 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1 1874487392 LTOZCSUGTATNKT-ZMOGYAJESA-N 426.517 4.577 30 10 IJEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2F)c1 1874489039 XLVJRPQKGABFBM-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(Br)ccc1O 1874523989 RHUQTZCGOSMTFP-UFFVCSGVSA-N 435.322 4.622 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)CC(C)(C)C 1874717327 LJSUPXXJDCHSHH-DHZHZOJOSA-N 442.508 4.959 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 1875119152 HJUNXNNTKVPDGE-ZHACJKMWSA-N 448.431 4.512 30 10 IJEE COCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1OC 1875184174 LPOYIXKZFXDHOJ-PKNBQFBNSA-N 426.509 4.758 30 10 IJEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(NCCc3ccc(C)cc3)ncnc21 1875227766 LBXWJYCWQOAFJK-PMACEKPBSA-N 431.584 4.698 30 10 IJEE Cc1ccc(-c2cc(C(=O)NCC#CCOc3cccc(C(F)(F)F)c3)n[nH]2)c(C)c1 1891457519 IJMCGAIDJBFUOO-UHFFFAOYSA-N 427.426 4.525 30 10 IJEE C#CCCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCC1 1984725986 TWZYWBYANUNJEZ-SANMLTNESA-N 444.575 4.954 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1992380506 ALMPRPVZZVRDKP-KBPBESRZSA-N 435.487 4.714 30 10 IJEE Nc1c(C(=O)O)c(C(F)(F)F)nn1[C@H](c1ccc(C(F)(F)F)c(F)c1)C1CCC1 2080047801 JPQUZVRBMIKGMN-LBPRGKRZSA-N 425.304 4.730 30 10 IJEE N#C[C@@H](C(=O)CSCc1nc2ccccc2[nH]1)c1nc2c(s1)CCc1ccccc1-2 2084273004 CKNKRHHMSPGQBB-INIZCTEOSA-N 430.558 4.895 30 10 IJEE COc1ccc(CN(CCC(F)(F)F)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2095867011 ULARCJFLVHDFOL-UHFFFAOYSA-N 449.322 4.949 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2118186785 CSZHUVNZDMNMBS-AWEZNQCLSA-N 426.330 4.734 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(NC(=O)OC(C)(C)C)CC(C(C)(C)C)C1 2124494426 MNSJHYCSZFZBFA-UHFFFAOYSA-N 429.399 4.629 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 2145544581 QSSYFGMOCJVROL-QZTJIDSGSA-N 441.385 4.806 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCCN(Cc2ccccc2)CC(F)(F)C1 2163708079 URMKOHXYXUOXLX-UHFFFAOYSA-N 438.291 4.807 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCCC[C@H](N(C)Cc2ccccc2)C1 2169150353 KJJZVZJCGDMJSR-SANMLTNESA-N 448.460 4.781 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(c2ccc(C#N)cc2Br)CC1 2174767080 GBEWIOOWDWTTOC-HNNXBMFYSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)cc2Br)CC[C@@H]1C(F)(F)F 2174811673 AZIQNIJTNOROOS-JSGCOSHPSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CNc2cc(Br)cnc2C#N)[C@@H]2CCCC[C@@H]21 2179397935 KNWWLLHDMZRTIR-YEWWUXTCSA-N 435.366 4.553 30 10 IJEE CC(C)(C)C[C@@H](CC(=O)Nc1ccc(Br)c(C#N)c1)NC(=O)OC(C)(C)C 2180923715 ULYMVYSREGDEDJ-OAHLLOKOSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)CC1 2181107571 JSOFIZSSQZJFRV-CQSZACIVSA-N 436.350 4.687 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F)NCC 2212102157 BBGIVYBFDYBBLN-XXBNENTESA-N 426.548 4.924 30 10 IJEE CCC[C@]1([C@H](C#Cc2ccccc2Br)NC)CCN(C(=O)OC(C)(C)C)C1 2235720210 OZZCABXDQJZFQI-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)C[C@H]2CSC[C@@H](C1)N2C(=O)OC(C)(C)C 2244165287 OKEZGKRWCIIBSK-AZOLKPQMSA-N 439.622 4.799 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(F)c(F)c(Br)c(F)c1F 2267836967 DIUDXLFGAJHSNM-ANRSDYALSA-N 441.263 4.865 30 10 IJEE COCCN1C(=O)C(=Cc2cc(OC)c(OC)cc2Cl)SC1=Nc1ccccc1 2294137642 SYVLQUJFZWEGLE-UHFFFAOYSA-N 432.929 4.608 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CCN[C@H](C(F)(F)F)C1 2294628288 VLLPVALLSPZYDK-YOEHRIQHSA-N 448.283 4.767 30 10 IJEE C=CCN(CC[C@H](C#Cc1ccc(Br)cc1)NCCC)C(=O)OC(C)(C)C 2296295336 BZYGNCQOBCNRIK-FQEVSTJZSA-N 435.406 4.982 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2296866110 XGOFJASEJDUOLV-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCOc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 2296928423 LRPZNFFPRPXURC-OAQYLSRUSA-N 437.879 4.954 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2306524418 VBADMTRYSMUWOE-LRIWYSQZSA-N 428.573 4.601 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317350910 ZQDYTLQAAKNDFA-OUKQBFOZSA-N 431.386 4.689 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(-c4ccccc4)cc1)C3=O)CN(CCN(C)C)CO2 2322335776 QBQDXYYFKPRGBM-UHFFFAOYSA-N 440.543 4.992 30 10 IJEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCc3nc5ccccc5[nH]3)C4)C2=O)o1 2322415452 WINMBAXDOVGZJG-UHFFFAOYSA-N 441.487 4.784 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)cc1OC 2323378568 UVUQZGPJEGMDRA-UHFFFAOYSA-N 430.456 4.777 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C2CCCCC2)cc(Br)c1OC 2323482911 UHUFXKXBXWREAC-UHFFFAOYSA-N 439.379 4.667 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1C 2324035369 PDXVCLGIUXKTCH-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C)c(C)c3)ccc2C1=O 2325738494 XQYLTFCBHGYRTB-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1cc(C=Nn2c(CCCOc3ccccc3C)nnc2SC)cc(Cl)c1O 2327046201 AEJIXTJXCMXVAM-UHFFFAOYSA-N 446.960 4.570 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)cc1 2328343649 UJIOZLHHHQQEDR-UHFFFAOYSA-N 437.500 4.507 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)cc1 2328367898 PUCFTSDLQWJJID-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2328371893 YGHNSVMTBAOMFJ-UHFFFAOYSA-N 436.459 4.879 30 10 IJEE COc1cc(C=NNc2ccnc(Cl)n2)ccc1OCc1ccc(Br)cc1 2328841498 JOSGOZFYWXFKDI-UHFFFAOYSA-N 447.720 4.926 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)cc1 2329278001 GDBPILKERUVFPB-UHFFFAOYSA-N 430.533 4.758 30 10 IJEE Cc1ccsc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H]1CCCO1 2330938946 ZHCRBMABRSJMRU-INIZCTEOSA-N 429.527 4.582 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cnccn1 2331116364 SDULKWRHTZXBFY-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccs2)c1 2331183340 XYLBKKHVDJITQF-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE CCOc1ccc(C=Nn2c(CCOC)nnc2SCc2c(F)cccc2Cl)cc1 2331313536 RYEFUCXPPXEPKI-UHFFFAOYSA-N 448.951 4.833 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339587076 OZDBXCIEPJOXQN-HHNLSAEISA-N 443.397 4.562 30 10 IJEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339602388 JNNTYHOLTLQEAE-QZASHXROSA-N 443.397 4.608 30 10 IJEE Cc1cc(CNc2cc(Br)cnc2Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676331 VKFMGMFGQLDQMM-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2nnc3c(c2C#N)CCC3)c1 2370351120 KUVZLELALBBTPC-UHFFFAOYSA-N 431.290 4.739 30 10 IJEE COc1cc2c(cc1C)C(=NOC(=O)c1ccccc1I)CCC2 4017978 VTVWITVARLXYMY-UHFFFAOYSA-N 435.261 4.506 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 14092548 CMSMSYYRUYSYGN-UHFFFAOYSA-N 426.973 4.942 30 10 IJEE Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1 20091812 PEJIXHAWVNGEQW-NRFANRHFSA-N 447.520 4.809 30 10 IJEE C=CCn1c(SCc2nnc(-c3ccc(C)cc3)o2)nnc1[C@@H]1COc2ccccc2O1 31613042 OJJYUEBJKWBODZ-IBGZPJMESA-N 447.520 4.627 30 10 IJEE CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccc(C#N)cc1 32997389 CSOZZYNWCLWJTR-QFIPXVFZSA-N 431.521 4.602 30 10 IJEE CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1cc(OC)c(OC)c(OC)c1)C2=O 33489773 YCQDUPCCROHNRP-UDWIEESQSA-N 441.524 4.656 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C2=O)c(OC)c1OC 33935765 WQXPNZLTZMVAAG-LPYMAVHISA-N 446.455 4.856 30 10 IJEE C=CCC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 36146711 KXVWLNHJRHJJMQ-FYYLOGMGSA-N 428.960 4.671 30 10 IJEE C=CCc1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc(OC)c1O 38159988 IPCBVLAHJYVLGK-CXUHLZMHSA-N 426.856 4.598 30 10 IJEE Cc1ccc(-c2ccc(Nc3ccc(C#N)cc3)nn2)cc1S(=O)(=O)N1CCCCCC1 65009527 YTAJPTNEQINXEO-UHFFFAOYSA-N 447.564 4.632 30 10 IJEE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)S/C(=N/c2ccc(O)cc2)N1c1ccc(O)cc1 102598754 BSBXDLADQZFYST-SAPPFYIZSA-N 433.445 4.815 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@@H]2c2ccccn2)c1 169990570 LEAWYXAHNSRADV-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3C)[C@H]2c2cccnc2)cc1 170006330 FKWQRCGAYMPMNX-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 170050857 YTAJPIUOGDGHEJ-JOCHJYFZSA-N 427.456 4.565 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 170068769 YKFZEWBJESKRFI-IBGZPJMESA-N 434.319 4.835 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(N(C)C)cc1 170129118 QQBTWMPIGLDVRA-NRFANRHFSA-N 442.943 4.793 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@H]3c3cccs3)ccc2O1 170157481 JKQCLUJPVBVZMU-ASSNKEHSSA-N 433.485 4.560 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)ccc1Cl 170163058 BSPXORZWSWAVFF-LJQANCHMSA-N 440.908 4.584 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccnc1 170184796 MXYGTFJTEKGNNU-NRFANRHFSA-N 432.451 4.629 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1cccc(O)c1 170258779 XFBLTUZBSLKYGF-QFIPXVFZSA-N 445.471 4.506 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccccc1C 170270101 PCCBVNZTNWESHU-JOCHJYFZSA-N 437.536 4.526 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3c(OC)cccc3OC)[C@@H]2c2ccco2)cc1 170283398 CQMWEUVWEOFZDB-QFIPXVFZSA-N 433.460 4.642 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccco1 170296680 VSRUFFJCUANJPT-QFIPXVFZSA-N 449.478 4.865 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C)o2)c1 170301968 JDQGIHHRWXEQMG-QHCPKHFHSA-N 445.471 4.759 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccccc2)cc(Cl)c1O 170366325 ZRAQJPOYKGGDGS-GOSISDBHSA-N 441.892 4.899 30 10 IJEE Cc1[nH]c2ccccc2c1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1Cc1ccc(F)cc1 170424965 YKDKONLGUMNCIL-QFIPXVFZSA-N 430.435 4.987 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)cc1 170428440 RVQBMNGHTYVKOE-JOCHJYFZSA-N 437.536 4.993 30 10 IJEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccn3)nc2cc1Cl 170480295 UYQNIXJFIDZUJE-QGZVFWFLSA-N 427.913 4.778 30 10 IJEE C=C[C@H]1c2cc(OC)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)c1ccccc1 220748999 HKRFSMQWEVNGKI-XUZZJYLKSA-N 433.529 4.734 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C/c2ccccc2)[C@@H]1c1ccccc1Cl 229051445 GORRAJAFVGSUAJ-QKUKJGDNSA-N 438.955 4.660 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)cc1C#N 508437878 SQXOYVBDMSFFRT-UHFFFAOYSA-N 435.896 4.830 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511953564 GRMXRZSYKGUROB-YMTQGWHGSA-N 426.948 4.569 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(SCc3ccco3)C2=O)cc1C 526666408 BTJVHLXPZMYWNT-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 526773858 VTAMWZRAYQBCSV-OAQYLSRUSA-N 447.874 4.910 30 10 IJEE C[C@H](NC(=O)Cc1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 532433410 UBBCDGADBSAVOJ-ZDUSSCGKSA-N 426.339 4.864 30 10 IJEE CCCOc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 585825839 LRQNDWIMESVRFR-WDIBLMATSA-N 441.959 4.653 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N3CCOc4cccc(F)c4C3)cc2F)c1 619788034 ZRPTZGAFTRGBBQ-UHFFFAOYSA-N 435.430 4.842 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698826537 KQYKHBNUWQDWNO-DEOSSOPVSA-N 439.487 4.872 30 10 IJEE CC(C)c1ccc(CSc2nn(CN3CCN(C4CC4)[C@H](C#N)C3)c(=S)s2)cc1 732666271 NMYDGRQYKSEIHL-LJQANCHMSA-N 445.683 4.719 30 10 IJEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n(C2CCCC2)c1C 745228426 HGSNSDLLUGOVGD-IEBWSBKVSA-N 441.478 4.655 30 10 IJEE C[C@H](NCc1ccc(C#N)cc1F)c1cc(Br)cc(Br)c1O 756544153 SQNRAMPIMQHPCT-VIFPVBQESA-N 428.099 4.779 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2CCC[C@@H]2c2csc(C)n2)c1=S 774594528 FQIWLCBRFAUPCT-LJQANCHMSA-N 427.599 4.739 30 10 IJEE COc1ccc([C@H]2[C@H](C(=O)N3CCC(C)(C#N)CC3)CCC(=O)N2c2ccc(C)cc2)cc1 780779460 GDQDYUJHELWBGN-NOZRDPDXSA-N 445.563 4.640 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 796888177 KSCXGXQUSVPBJF-MGPUTAFESA-N 429.501 4.776 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C3(c4cncc(Br)c4)CC3)c2)s1 798446479 HIAHTUUPBRHYSR-UHFFFAOYSA-N 438.350 4.792 30 10 IJEE C#CCC(CC#C)C(=O)OCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 803697937 XUAHVVDETKBFGP-UHFFFAOYSA-N 435.332 4.841 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1cccc(OC)c1 1084409558 RHQUHLAUGFWRQW-GOSISDBHSA-N 447.919 4.634 30 10 IJEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2ccc(Br)cc2)n[nH]1 1084638977 RGWPCDFHRNVKBR-UHFFFAOYSA-N 439.383 4.666 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@H]3Cc4cc(Br)ccc4O3)cc2)c1 1125753675 HYNATFFAPAMBGZ-JOCHJYFZSA-N 449.304 4.842 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1125792676 FHHAFTGJMYWYFD-PKOBYXMFSA-N 441.915 4.642 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 1126458879 RSOMZOKJJOPWEL-IBGZPJMESA-N 432.442 4.538 30 10 IJEE CCn1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)nc2cc(C#N)ccc21 1127748531 FQRCNIHAUJIOEG-LLVKDONJSA-N 447.720 4.750 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1128003682 WHHGNDMTZKWMPS-HYBUGGRVSA-N 437.580 4.940 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC(=O)N(c3ccc(CCC)cc3)C2)cc1 1128302952 XEWITODMDDQEPV-OAQYLSRUSA-N 434.536 4.640 30 10 IJEE Cc1ccc(/C=C/c2cc(C(=O)Nc3c[nH]nc3C#N)c3cc(Br)ccc3n2)o1 1131483542 HVWTVOPXDSJYIM-GQCTYLIASA-N 448.280 4.916 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)CC2(C)C)c1 1133138256 PWTYLMNPCYLEKV-KRWDZBQOSA-N 447.000 4.982 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 1133453324 JJLKWZRMVBTROP-YKSBVNFPSA-N 444.497 4.864 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 1142813487 DSVCPWNIDPQOSU-BPQIPLTHSA-N 426.479 4.927 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(F)(F)F)c2ccccc21 1148892843 SGEUVONKKYASCW-MRXNPFEDSA-N 441.494 4.652 30 10 IJEE CC(C)c1cc(Br)ccc1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1202923384 FKGJOFBPXJLUKI-UHFFFAOYSA-N 445.336 4.937 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(Br)c2F)cc1 1207850483 KPQPVGXJWNNJKJ-UHFFFAOYSA-N 425.233 4.679 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)cc1 1210716850 CRBGWYIVWAHKNH-CQSZACIVSA-N 426.351 4.616 30 10 IJEE C=CCC1(NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCCCC1 1214866312 VAFIZTLJOCILFG-QLYXXIJNSA-N 446.617 4.680 30 10 IJEE C#CCN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1214947496 DIGRGHNAOQPRDW-UHFFFAOYSA-N 443.441 4.711 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C 1252972029 WTRPXYCVDULHPY-WXFUMESZSA-N 436.600 4.766 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1253028642 WVTOISOWMPUFNP-AREMUKBSSA-N 439.559 4.824 30 10 IJEE C#C[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)c1ccc(Cl)cc1F 1275497558 FIDFVDIUCAHBEG-KRWDZBQOSA-N 432.680 4.532 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H](OC)C(C)(C)C 1286302301 CXKMGRBCHPMZDW-WIYYLYMNSA-N 447.023 4.771 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CCCC1 1286323120 FYQRDGXPCNWSJL-HXUWFJFHSA-N 443.636 4.965 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1286354629 QKHQJUKVZGNZDB-VGSWGCGISA-N 435.597 4.643 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)Oc1ccc(F)cc1 1286365754 IPURZXOQJPIVIJ-IRXDYDNUSA-N 438.572 4.807 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C)CC1 1286497735 WXLISWDFJDWIFB-INIZCTEOSA-N 433.419 4.700 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(C)o1 1286562526 GTZRTJJGUXJCMA-RDPSFJRHSA-N 436.556 4.685 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286623840 NFQCRLIMDXBFKB-OKILXGFUSA-N 432.906 4.815 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286682257 IONWMHVNFCCOPY-KDURUIRLSA-N 432.012 4.500 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286690269 GANLEIYKTGTOCK-GJZUVCINSA-N 438.616 4.584 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1286696755 PXANKFGNTUJWNL-UHFFFAOYSA-N 425.577 4.652 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1286752595 APGPMJQRHITUHZ-IBGZPJMESA-N 430.499 4.576 30 10 IJEE N#Cc1cc(C(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cnc1C(F)(F)F 1287618760 GTKRQUSFENNAFD-UHFFFAOYSA-N 443.332 4.762 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C 1298076596 VPZPTDNIFLYMKT-MSOLQXFVSA-N 440.625 4.889 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@H](OC)C1 1300348123 JMCYDLXOYKPXNP-HNAYVOBHSA-N 449.368 4.511 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1CSC 1300421953 CYHSDKMLGFNPTP-MRXNPFEDSA-N 439.412 4.909 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(C)(F)F)cc1 1300604931 QPYMLFFEXRCAHO-UHFFFAOYSA-N 448.315 4.655 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1300742701 SANBZJNKSQDEGO-IYBDPMFKSA-N 430.524 4.785 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CCC1 1300832117 DIZYJVZIUUPDOP-UHFFFAOYSA-N 425.758 4.752 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)o1 1300896843 KQSCVKLAJDEFQM-FDDCHVKYSA-N 440.519 4.515 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1300997330 UJYGABMADJSFKF-HXUWFJFHSA-N 426.605 4.537 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1301095188 CLJMKNAUKWMWAG-UHFFFAOYSA-N 447.583 4.943 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1301095958 RXEZLKWYMPLXSE-QPPBQGQZSA-N 449.599 4.726 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1301130338 XCPZWOKQMDZQMM-DEOSSOPVSA-N 435.660 4.976 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCC(NC(C)=O)CC1 1301209181 OIKFBURMHGXGQO-UHFFFAOYSA-N 433.959 4.587 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1301244951 ATKKXKKQOIKVAB-NRFANRHFSA-N 439.387 4.850 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)N(CC)CC 1301310603 SBRQPHVKOGOACW-XPWALMASSA-N 439.648 4.902 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(CC)s1 1301372331 XWDLRSKEQUDICU-UHFFFAOYSA-N 435.597 4.998 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1301426063 LWFSAPQOQMZQDZ-KESTWPANSA-N 437.975 4.675 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(COC)CC1 1301597306 NXZTZFILUYEOGS-UHFFFAOYSA-N 437.613 4.584 30 10 IJEE Cc1c(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)[C@@H](C)CC#N)cnn1C 1304102383 BJHUKZZPNREEDG-ZDUSSCGKSA-N 439.976 4.642 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N(CCC(C)C)C2CC2)c(C)o1 1304149301 FJVNQTPOFDGQBN-AREMUKBSSA-N 447.583 4.949 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 1309336329 ZMQOXVQVSJYBAE-SFHVURJKSA-N 441.494 4.975 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN([C@@H](CC)c3ccccc3)CC2)cc1 1310196755 VNRJFPSUWWCHQA-VWLOTQADSA-N 446.595 4.802 30 10 IJEE C#CCOc1cccc(NC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c1 1310303264 QWKQSIXGMMLBOA-UHFFFAOYSA-N 432.499 4.640 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1312334460 MTEDZLIUVJQGQD-OAQYLSRUSA-N 443.588 4.505 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br)[C@H]1CCCO1 1312541633 LAGZUXJROAOPBZ-WOJBJXKFSA-N 447.398 4.712 30 10 IJEE N#Cc1ccc(CN(c2nnc(-c3ccccn3)n2CCSC(F)(F)F)C2CC2)cc1 1316529129 BAHUCOWDJHIFDH-UHFFFAOYSA-N 444.486 4.634 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]([C@H](C)CC)N1C(=O)c2ccccc2C1=O 1349910549 KOYKLKOMCGZYSH-AUUYWEPGSA-N 430.957 4.627 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 1350085655 PGGUHMJNRLCKAH-UHFFFAOYSA-N 446.459 4.778 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3cccs3)cc2C1=O 1350606459 FQCMTOLUCRLHGT-FQEVSTJZSA-N 436.920 4.703 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc(OCC(C)C)c2)c(C(=O)OCC)c1C 1352313091 ZWJHEXDEJBNTAL-UHFFFAOYSA-N 445.537 4.863 30 10 IJEE C#CC[C@@]1(C(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1352682620 NQHRLXJVXLFCAI-QFIPXVFZSA-N 438.490 4.847 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCc2ccccc21 1359062932 YMQQLANSGNKQDV-YPAWHYETSA-N 438.641 4.687 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCc1ccc(Br)cc1 1359066449 BMJJKAWIEPRURK-JOCHJYFZSA-N 439.357 4.844 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1359132869 HBVYNHQFFASZRS-UYAOXDASSA-N 445.633 4.515 30 10 IJEE C=C(Cl)Cn1c(N(CC)C[C@H](C)CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359157060 XTJSUXKMACKVAA-OIISXLGYSA-N 426.005 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1359187449 NSDUYJPVHMFMMB-HNNXBMFYSA-N 442.514 4.678 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359220299 UOYKIDKIQYPCSU-RHSMWYFYSA-N 444.885 4.633 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(O)CCCCCC1 1359243171 HUXXXBJBIDXNKO-UHFFFAOYSA-N 447.023 4.959 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@H]1C(=C)C 1359260249 XZNANGRFXIVZHG-OFNKIYASSA-N 435.547 4.597 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H](O)C1 1359276228 WFPOCRZNXBQFFB-GMAHTHKFSA-N 436.625 4.717 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CCOC)Cc1cccc(Br)c1)c1ccc(Cl)cc1 1436647343 BKSBBTURNAHWBX-YLJYHZDGSA-N 434.761 4.788 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](CO)c2ccc(F)cc2F)c1 1453887337 HJMKAPYWQBLRTH-FQEVSTJZSA-N 428.822 4.746 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccccc1 1463269563 GZJMGSPCSMFWAW-CCLHPLFOSA-N 447.398 4.826 30 10 IJEE Cc1sc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2F)nc1-c1ccc(Cl)cc1 1463280463 CCLKKQJRERVGMD-NSHDSACASA-N 435.933 4.822 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C 1464392643 SFFXDCVVRLXKRD-QGZVFWFLSA-N 427.520 4.767 30 10 IJEE C=CCOc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)cc1OC 1465965334 GOZBYYTUIDRHBT-DEOSSOPVSA-N 431.532 4.944 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)C(=O)OC 1471896057 ZALBUZLLEVCVPE-IBGZPJMESA-N 446.341 4.656 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 1476223738 FIZRXCUGSIBOFG-GOSISDBHSA-N 446.320 4.709 30 10 IJEE C=CC[C@@H](NC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1477934813 ZSKOHNNXCTYVLH-HYBUGGRVSA-N 428.577 4.522 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1478897209 UINGDDUMXBZSSV-FQEVSTJZSA-N 433.980 4.693 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1505180256 FOPCJJRNTUFKGZ-HXUWFJFHSA-N 427.618 4.683 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1507757644 WKJFSZWLVKHOPP-YLJYHZDGSA-N 431.005 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](COCC)C1 1507807589 RVCAWSHPTLVVOF-RBVMOCNTSA-N 438.616 4.664 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(Cl)s2)CC1 1507878334 UYMILLBGKQTIDK-UHFFFAOYSA-N 438.782 4.955 30 10 IJEE C=CCCCn1c(N2CC[C@@H](C(C)(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507954083 PBHXHGKWEYLFOO-QRVBRYPASA-N 431.625 4.887 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1Cc1c(C)nn(C)c1C 1508005853 YVRPOZGTYZMLBI-UHFFFAOYSA-N 434.519 4.577 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@H](C)[C@@H]1C 1508046585 CIYVERBTZMZLIX-NWDGAFQWSA-N 427.799 4.877 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)CC(C)C)c1 1520147118 PIKAAWLLPOTDBO-QGZVFWFLSA-N 434.989 4.886 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(OCC#N)cc1)c1ccccc1C(F)(F)F 1529645899 CGWNYZPBVOHBIW-GOSISDBHSA-N 449.429 4.812 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCc2ccc(OCCN(C)C)cc2)c1 1529919245 YBXGJFVJLCZOGT-UHFFFAOYSA-N 426.560 4.774 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)C[C@H](C)CC 1539587472 DHPLRQNYSQGZOJ-CQSZACIVSA-N 437.382 4.743 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1539624988 XQGNJXNYEREJKJ-PKOBYXMFSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1F 1539634881 DHWZWNBRWALDFD-GLDPYIMESA-N 435.547 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](CC(C)C)C1 1539637963 VWGYZIPEZSGPNV-LEEZEASISA-N 426.580 4.862 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1539694502 ANKRNMIPKYKOFW-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1539915902 GDNDHQHFXHUMFT-NRFANRHFSA-N 428.577 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1539929026 LRRQHYYZOFAFPW-UHFFFAOYSA-N 430.568 4.992 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1540332281 MHBGQQVPFLFBOJ-OAQYLSRUSA-N 437.378 4.753 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccoc1C 1540880942 UNCFFFDOVMCODD-UHFFFAOYSA-N 429.524 4.799 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2CC2)C1 1540886088 VIWDYCSKVCXICF-HNNXBMFYSA-N 437.769 4.552 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(F)(F)F 1541235787 BMLIMEXHWFMORF-RTBURBONSA-N 447.505 4.800 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)c1 1542810563 FUZAKCJJBKAITI-QHCPKHFHSA-N 447.535 4.986 30 10 IJEE CCOc1cc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)ccc1OCC(=O)OC 1544832474 GVLVPCRXTZWOJE-ZIAGYGMSSA-N 442.537 4.508 30 10 IJEE CCNc1ccc(C#N)cc1NC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 1545759726 FLYXHIKLXQTGAW-HSZRJFAPSA-N 426.520 4.798 30 10 IJEE CCC1(Cn2c([C@@H]3CCCCO3)nnc2N(CCOC)Cc2ccc(C#N)cc2)CCC1 1546142314 HWUXSZHSQYZVTG-QFIPXVFZSA-N 437.588 4.625 30 10 IJEE C#CCN(Cc1conc1Cc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1560701687 CWBISUORMSBQHB-JOCHJYFZSA-N 437.337 4.987 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(Br)cc1 1562254903 XMVMQCFNKHGWDT-OALUTQOASA-N 443.341 4.893 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c1 1562371399 TYEAINRUHSKWPE-UHFFFAOYSA-N 442.441 4.842 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)OCC)c3)c2)C1 1562897864 BNMFPQSKGMRWNP-SFHVURJKSA-N 435.524 4.936 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(F)c(C(F)F)c2)nc1C 1565624821 HFHGEPPANVSSRA-UHFFFAOYSA-N 425.461 4.514 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CCCC1 1586149573 UEMWZHWXVARACW-UHFFFAOYSA-N 426.582 4.768 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)C)cs1 1587561951 JFAUCPMJILHGHR-HZPDHXFCSA-N 427.549 4.643 30 10 IJEE Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)Nc3c[nH]nc3C#N)cc12 1588214369 BPMPKXKWVMXNGL-UHFFFAOYSA-N 431.308 4.608 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCN1C1CC1 1589599585 IOOQVSGMOARRHQ-UGKGYDQZSA-N 441.595 4.977 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1c(C)noc1C 1589615430 QDHVQHCFYFQBPZ-UHFFFAOYSA-N 448.340 4.902 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2ccccc2)C1 1589742699 XCHSGWKATHVIOD-INIZCTEOSA-N 445.386 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@]1(OC(C)C)CCOC1 1594528258 HSGKKEJQOLDUIW-DEOSSOPVSA-N 430.568 4.697 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F 1594660986 OWRTZODQEHUEFG-INIZCTEOSA-N 427.540 4.798 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1594709237 NATKNAWFDXPRRI-UHFFFAOYSA-N 441.923 4.511 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1sccc1C 1595075988 QJFSWHVIWSTORP-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C)C1)C(C)C 1595165237 DCOXKYHFUQDQSS-TZIWHRDSSA-N 443.039 4.928 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1oc(CCC)nc1C 1595196416 RSUAHOUHKMRLRO-UHFFFAOYSA-N 428.540 4.969 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1602877507 ZFBWJBOBUYMWAM-VWLOTQADSA-N 430.564 4.953 30 10 IJEE C#CCCCCCC(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1603433698 MXHJGZLDRCVJCY-CJFMBICVSA-N 426.557 4.590 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 1603614105 LTOUNNZTXKWYKE-UHFFFAOYSA-N 444.434 4.740 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1611857022 FJURGUWRHCQNNX-HNNXBMFYSA-N 429.977 4.719 30 10 IJEE Cc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(C)(C)C 1612292135 KRFJWIHSHVMJFD-UHFFFAOYSA-N 444.583 4.539 30 10 IJEE COC1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1 1619479172 BNOWLFBICXCZTE-VRKFHHGPSA-N 437.588 4.560 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 1623847265 ISSGQQNBFUJQHG-UHFFFAOYSA-N 432.568 4.831 30 10 IJEE COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc(F)c(C#N)c(F)c1)CC2 1623894779 BISXXUBOJDWCLN-QFIPXVFZSA-N 440.471 4.703 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1626007603 TZAVISFKBHQGMA-UFYCRDLUSA-N 436.980 4.649 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(CCNC(=O)N(C)C)cc2)cc1 1631699134 DMWRJFSJMLFALR-UHFFFAOYSA-N 442.519 4.725 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCOc2cc(Br)ccc2C1)c1ccc(F)c(F)c1 1634435438 NJLXGVBYYGXEGG-LJQANCHMSA-N 437.284 4.949 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1 1634911076 DJZYXECVNDXGRI-JOCHJYFZSA-N 428.598 4.576 30 10 IJEE CC(C)n1ncc(C(O)(C(F)(F)F)C(F)(F)F)c1NC(=O)[C@@H](C)c1ccccc1F 1641970268 FCOCVTDPMAGSTI-JTQLQIEISA-N 441.347 4.658 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1644041813 INIGAZWDTMZTEN-ACRUOGEOSA-N 444.575 4.860 30 10 IJEE CCc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 1645096625 BMHPVZSUAFLSNY-VJLZTBLDSA-N 435.616 4.555 30 10 IJEE CCCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccc(OC)cc1 1654503054 GZLUQANMABYCRJ-QGZVFWFLSA-N 425.598 4.994 30 10 IJEE Cc1ccc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)c(OC[C@@H]2CCOC2)c1 1655244522 DKQLTCRDDAAVAB-LJQANCHMSA-N 430.552 4.820 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(CN3CCN(CC)CC3)cc2)cc1OC 1656096574 FKHIQHWVTMBYMZ-UHFFFAOYSA-N 429.992 4.663 30 10 IJEE C#CCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1657338704 BUJLGKFBSZCEMG-GOSISDBHSA-N 435.705 4.970 30 10 IJEE C#CCN(C(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)C1CSC1 1659130266 OJRHQPSWVVGTPB-UHFFFAOYSA-N 433.455 4.540 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Br)c(OCC3CCCCC3)c2)CC1 1664953835 YQSMTNSCCYMJNT-UHFFFAOYSA-N 449.389 4.790 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1 1665945473 HNKAWJQORXMXIP-SANMLTNESA-N 441.575 4.912 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1667560718 MWZRUHCOTRZSLE-HZMBPMFUSA-N 445.397 4.850 30 10 IJEE CCN(CCC1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1)CC1CC1 1668235211 AKDANWGYSJNQBH-UHFFFAOYSA-N 445.654 4.604 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 1672210561 XPAZZAGMILAVJX-UHFFFAOYSA-N 434.290 4.979 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)cc1 1673819908 PIOYBGQRSIGJPA-LJQANCHMSA-N 438.597 4.752 30 10 IJEE CCOC(=O)C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cccc(OC)c1 1674514230 HLVKWKLDMVXUIU-OXJNMPFZSA-N 441.553 4.905 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Oc3nc(C(C)(C)C)ns3)c(Cl)c2)CC1 1676391301 GIDNVPXFQYTSSJ-UHFFFAOYSA-N 447.992 4.500 30 10 IJEE C=C[C@@H](COC)NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1677561415 BLWMVOSEOFADAD-HNNXBMFYSA-N 425.476 4.953 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 1687036795 VSARNUYGFCTIKU-GBXCKJPGSA-N 445.051 4.771 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCO[C@@H]1CCCC[C@H]1C 1689831272 IIEDEOQXVIDLCR-LJFZDNNRSA-N 431.584 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC1(CCOCC)CCCC1 1689860717 GKUJSQROTCWFCA-OAQYLSRUSA-N 433.600 4.726 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1689939762 BVRATAOMLONNKI-QFIPXVFZSA-N 437.657 4.604 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)CCC(C)C 1690006434 PBLZRTKCHLQYJE-VWLOTQADSA-N 438.641 4.536 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1690158043 VYODCIYGNKCROZ-VGSWGCGISA-N 437.588 4.513 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@H](C(C)C)C1 1690316046 URXVHVLSGZYXHF-FQEVSTJZSA-N 435.037 4.693 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690494006 YZAWEFZEZBILOG-GOSISDBHSA-N 448.036 4.685 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=C)Cl 1690607279 JHOJOGYKUXNMIV-UHFFFAOYSA-N 434.931 4.711 30 10 IJEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)C(C)(C)C2)s1 1694553843 ACAMAWURDMDRPP-KRWDZBQOSA-N 434.613 4.951 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)c1nccs1 1705483830 CXBITEIZHRKHJF-OLZOCXBDSA-N 448.365 4.565 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1705509894 LHCXKKGHMAICIL-BJKOFHAPSA-N 449.643 4.903 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(Cc1cccs1)C(C)C 1705732790 CJJDWBYALZHYJX-UHFFFAOYSA-N 440.569 4.743 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1705762813 IZJSRPSKMKPSRH-SFTDATJTSA-N 441.595 4.836 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705786945 BMCTZRHAKYTBIK-RZUBCFFCSA-N 441.668 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccc(N(C)C)nc1 1705835523 NCVZQDQNUYOZRE-UHFFFAOYSA-N 445.596 4.509 30 10 IJEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCC(C(F)(F)F)CC1 1705844243 YEGXXFYILQPPGS-RJYAGPCLSA-N 436.478 4.782 30 10 IJEE C=CCN(C)c1nnc(CCc2ccccc2)n1CC1CCN(Cc2cccs2)CC1 1705845442 RZMYQTWUDWGAHS-UHFFFAOYSA-N 435.641 4.659 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@@H](F)C1)C1CC1 1705854481 KWTPZTWVNAQVNC-IPMKNSEASA-N 447.599 4.686 30 10 IJEE Cc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(CCC#N)CCC(C)C)s1 1707739088 GHPQDJYRANIGGE-UHFFFAOYSA-N 433.585 4.705 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1722324132 LHVHVUIYJFOHHO-VLCRHTCISA-N 440.563 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(C)(C)C)cs1 1722470158 CYHIQEZOVHMGKP-XMMPIXPASA-N 430.581 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCCCc1ccccc1 1722508134 KJVJMOVFCPISFA-VXNXHJTFSA-N 438.616 4.960 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(COC)CCCCC2)CC1 1722562698 ITBILFUPDQIWJH-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2ccccc2CO)CC1 1722592113 QZQZCMBTHJSHJP-UHFFFAOYSA-N 445.611 4.743 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722707511 RCGXRXHTSKZMAN-UEXGIBASSA-N 446.542 4.860 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOC(C)(C)C)C1 1722713275 CQQLKADMNWFCNB-HKUYNNGSSA-N 444.645 4.728 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1722742584 YKMSDFJCFFKVBC-QFBILLFUSA-N 446.667 4.878 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@@H]2CCCCO2)c1 1724547089 AKBYZWYPPMFBKW-OFVILXPXSA-N 437.588 4.645 30 10 IJEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1726821150 BTFJFVPKRZJGSD-DWXRJYCRSA-N 445.567 4.809 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1ccc(C)cc1 1740540173 YJDUVOCAJMIJST-IAGOWNOFSA-N 440.389 4.616 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1740575777 VZBOGPAKOFGUAB-XMMPIXPASA-N 447.652 4.835 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1Cc1cccc(C(F)(F)F)n1 1740678445 BRZPXTVSGXTPHL-UHFFFAOYSA-N 445.464 4.718 30 10 IJEE C=C(Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C)c1ccccc1 1740798176 BNGKSIITCIKSCT-UNMCSNQZSA-N 446.599 4.508 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1740842302 UZAZMUQOGFPXAM-DVECYGJZSA-N 428.552 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1nncn1C 1740851573 ZPATXLRRYVQIGI-IBGZPJMESA-N 439.995 4.595 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1740857548 QIUDYGNKNPHCAK-MRXNPFEDSA-N 440.498 4.757 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H](C)C1 1740915384 FCJAWXOOKPCGJU-IRLDBZIGSA-N 447.583 4.665 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCCn1nc(C)cc1C 1740921457 UYLKATJHEDSATI-UHFFFAOYSA-N 433.535 4.509 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@@H](C)C1 1740939847 JQKUSXDODDVHLH-IAGOWNOFSA-N 433.394 4.783 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCc2ccccc2OC(F)F)C1 1740981167 VBTBGIDFVLIFOY-IBGZPJMESA-N 432.515 4.561 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1741132438 HVAVENPGFPAFRX-IEZWGBDMSA-N 437.485 4.973 30 10 IJEE CC(C)[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1741308835 HERCYJJPPNHCFZ-VXKWHMMOSA-N 448.036 4.761 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)CC1 1748713093 OMCQECQLSBKOAB-HXUWFJFHSA-N 446.599 4.666 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1748738427 BWVKIKLYNOKKIP-RBUKOAKNSA-N 427.980 4.581 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1748743937 QARUHYHMABMOBY-SFHVURJKSA-N 435.597 4.770 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1Cc1nc(C(C)C)cs1 1748991853 CYVMYWJNOHXCSZ-UHFFFAOYSA-N 436.585 4.712 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)F 1749087978 YTRDRMYFMDJUOO-LBPRGKRZSA-N 433.272 4.557 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(Cl)c1 1749133763 PZESQLDFHDVVRL-NFBKMPQASA-N 437.975 4.535 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@H](NC(=O)CCC)C2)nnc1C(C)(C)C)c1ccccc1 1749386365 ZXVMJNMVSBIIQN-VXKWHMMOSA-N 437.632 4.821 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1749445029 IFPDPFMYYWAXBQ-GOSISDBHSA-N 446.567 4.544 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749450979 ZLDWNRQZXWZGOP-PWRODBHTSA-N 426.609 4.509 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1C 1749549283 VEAWATKMZMCGBC-XMMPIXPASA-N 438.597 4.541 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](SC)C(C)(C)C)C1 1749715202 QQKHRJLVKORPED-LEWJYISDSA-N 428.646 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2csc(C)c2)C1 1749719304 RXVNSWJLRMWAPH-HXUWFJFHSA-N 444.988 4.710 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1750737352 BOMPJZLNXHNCBW-SANMLTNESA-N 448.615 4.784 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](c1ccco1)N1CCCCC1 1751659492 AZDHVGMXFCWIOS-UNMCSNQZSA-N 432.572 4.812 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1760237584 NSGFYFJFMLYAPM-XUZZJYLKSA-N 438.616 4.775 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1760342883 PHFSFXQCCKWMTK-QZTJIDSGSA-N 433.394 4.924 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCOCC2)CC1 1760406089 RMQSKYXQIGJRNQ-UHFFFAOYSA-N 442.629 4.798 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCSC1 1760424968 AKRGURRCZRJMQM-RTBURBONSA-N 449.665 4.691 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1760438631 LACJJRVQUGPMEK-GMAHTHKFSA-N 429.653 4.967 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)C1 1760569505 QJSOURQWGUAFKW-AWEZNQCLSA-N 427.401 4.929 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)n1 1762214112 DDKDVQRUZXTSMC-IAGOWNOFSA-N 436.585 4.534 30 10 IJEE COc1ccc(/C=C2\SC(=Nc3ccccn3)N(c3ccccc3)C2=O)c(OC)c1OC 1772731864 RGHWSRJCMOXYCY-RTIGKECSSA-N 447.516 4.916 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 1860729000 RFIXJEXKXVGKRW-WEVVVXLNSA-N 432.860 4.657 30 10 IJEE CCCc1nc2ccc(C(=O)NCc3ccc(C(=O)Nc4ccccc4C#N)cc3)cc2[nH]1 1860831384 IAJASOYGXITZMN-UHFFFAOYSA-N 437.503 4.569 30 10 IJEE Cc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1 1860864710 CBQCFCKVRSVJJS-UKTHLTGXSA-N 440.459 4.608 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cc(Br)ccc1F 1862410690 PMFRCDQRJDSHPL-GOSISDBHSA-N 448.288 4.503 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccccc1)c1c(F)cc(F)cc1F 1862456611 WEBXCAGWZOSBIP-HXUWFJFHSA-N 443.446 4.986 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@H]2c2ccc(C)cc2)cc1 1862475548 PCUGAZVEJWMVSR-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1F 1862526570 HIWZRBIPVCJTQU-KRWDZBQOSA-N 436.252 4.716 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)c1 1862625878 PPDIBPPFXSQGNP-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc3cc[nH]c3c2)cc1F 1862641444 TWBDBTUEJKJGRV-JOCHJYFZSA-N 446.434 4.687 30 10 IJEE CN1CCCc2cc([C@@H]3C(C(=O)c4ccc(F)cc4)=C(O)C(=O)N3Cc3ccco3)ccc21 1862679298 CCLKJKNQMAZILQ-HSZRJFAPSA-N 446.478 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(N(C)C)cc2)cc1 1862690758 DIVDNHKICTWNEN-BSDZUQITSA-N 448.563 4.918 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2Br)cc1 1862693239 GFCHLAWKCCVADC-LJQANCHMSA-N 444.325 4.692 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(Cc2cccnc2)C1=O 1863391888 FRBRVUAJVIPPHG-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(CCc3cccs3)C2=O)c1 1863447495 VWHNPUKZAYQCGL-UHFFFAOYSA-N 433.920 4.708 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2cccs2)C1=O 1863805047 OOEHXDUHEXCELC-UHFFFAOYSA-N 436.581 4.855 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccco1 1864458675 UCGYHOYYFWRRJF-HXUWFJFHSA-N 428.577 4.756 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CSc1ccc(C)cc1 1870205019 QXUADANONBVWFC-UHFFFAOYSA-N 434.561 4.961 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CSc1ccc(C)cc1 1870295913 FTUGQKLTMSPRPK-UHFFFAOYSA-N 425.506 4.594 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870414577 RJWNNAWULKJJHQ-SFTDATJTSA-N 444.591 4.994 30 10 IJEE CCc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCCO 1871254253 VHGSHJWJTFSIQG-UHFFFAOYSA-N 445.563 4.636 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2sccc2C)C4=O)cc1 1871345355 LASOTEXCPKVFLT-XKZIYDEJSA-N 449.528 4.912 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCc4ccccc4C3)C2=O)c1OC 1871394637 IHYXNJIPZROERJ-OYKKKHCWSA-N 443.499 4.584 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871941333 XFURNJJAHYCPAT-LBPRGKRZSA-N 447.771 4.851 30 10 IJEE CCc1cccc(C)c1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3cccs3)cs2)CC1=O 1872774202 KADYKJVLDBDVSY-SJORKVTESA-N 435.574 4.972 30 10 IJEE COc1cccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cc(C)ccc3C)C2=O)c1 1873217840 SFLLMECWKILFLM-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccc(-c3ccccc3)cc2)C1=O 1873276515 LKJOWTDHFBUFOE-UHFFFAOYSA-N 439.471 4.948 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874216596 XREPNGRJKMNJOV-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(F)cc1F 1874292229 SQOGICFOTGQFCH-BHGWPJFGSA-N 430.480 4.694 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccc(F)c1 1874464439 JWYBQCZNVRXBIQ-AFUMVMLFSA-N 449.511 4.853 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1c(F)cccc1Cl 1874503436 HJMDXNYSKXHDBM-WYMPLXKRSA-N 445.951 4.945 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1c[nH]c2ccccc12 1874504551 SFIGFDKMUDRKGJ-VULFUBBASA-N 446.580 4.942 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(F)cc1 1874513349 UASGAGMDZFBHGK-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2-c2ccco2)c1OCc1cccc(Cl)c1 1874559844 RZWQKDPNEKICFU-FSJBWODESA-N 440.912 4.950 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1OC 1874571817 HWTKEIWLBMKIMC-WYMLVPIESA-N 431.488 4.926 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(Cc3ccc(OC)c(OC)c3)n21 1875074627 HDQJIQCEGVFNCJ-KRWDZBQOSA-N 446.617 4.596 30 10 IJEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OC(=O)COC 1875169506 UKVALSRHCPLFNZ-CMDGGOBGSA-N 441.480 4.675 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(c2cc(Br)c(C#N)cc2F)C(C)(C)C1 1879291356 XKJMFSYAJPKDBL-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE N#Cc1ccccc1[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1951436785 AIKPKJSPVBXHQN-GOSISDBHSA-N 426.472 4.655 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1cc(Br)cc(F)c1C#N 1957292023 YZEATJIPLMLHKJ-UHFFFAOYSA-N 448.336 4.991 30 10 IJEE CC[C@@H](c1ccc(OC)cc1C)n1nc(C2(C)CC2)c(C#N)c1I 2079906414 ZMGRNAQRKCQQNH-INIZCTEOSA-N 435.309 4.727 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@@H](NC(=O)OC(C)(C)C)COC2(C)C)cc1 2081877411 SXFAXWMRRXGJIE-MHECFPHRSA-N 445.560 4.701 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1ccc(Br)cc1C#N 2174590783 GYOIYYWKJUMUGP-JVPBZIDWSA-N 434.378 4.588 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2235735059 YJXZSMFRMOSNLJ-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)C(F)F 2235750889 ZWGCKTGJQKMRTH-HZPDHXFCSA-N 445.348 4.575 30 10 IJEE CC(C)(C)C#CC=CC[C@H](O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2248511973 DXTGOJFCWLUVEI-NVQXNPDNSA-N 426.601 4.513 30 10 IJEE CCN[C@@H](CC#CC1CCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2251482021 YWPADWJZTQDBRT-DEOSSOPVSA-N 427.633 4.575 30 10 IJEE CC1(C)OB(c2cc(N(Cc3ccccc3)Cc3ccco3)ccc2[N+](=O)[O-])OC1(C)C 2267782701 JZDIUJOIHSWLLB-UHFFFAOYSA-N 434.301 4.694 30 10 IJEE C=C(CN(C)C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 2268651647 BHVVYKCLTHTDHO-UHFFFAOYSA-N 442.365 4.693 30 10 IJEE C=CCC1(COc2ncc(F)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2272149760 LTCAPFSUOOOTMM-UHFFFAOYSA-N 429.330 4.955 30 10 IJEE CN[C@@H](C#CC1CCCCC1)c1cc(I)ccc1Br 2274052907 KYCJKSYSWDZNNJ-INIZCTEOSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@H](N)C#CC1CCCCC1 2289694436 WARQYCMWMWFTMS-WOJBJXKFSA-N 435.406 4.796 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2296218177 BKLZXJJETGLXSH-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@@H](N)C#Cc1cccc(Br)c1 2296221694 KVCKAMLTSWHENS-ICSRJNTNSA-N 435.406 4.849 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C=CCCN1C(=O)OC(C)(C)C 2296221786 LTHOFXFMHNBWOD-PMACEKPBSA-N 433.390 4.734 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(C)C=CCN1C(=O)OC(C)(C)C 2296278453 DRKSZOGUJNPDCB-UGKGYDQZSA-N 433.390 4.734 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2296296180 LAVYSOIOMLVISC-IMFGXOCKSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296296804 RRLKDXVCGHNMSW-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC1=CCN(C(=O)OC(C)(C)C)CC1 2296297143 VYMRDHOVHORFNS-FQEVSTJZSA-N 433.390 4.736 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc(OC)c1OC 2296866106 XBFXTMAQVANNJB-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc(OC)c1OC 2314437844 YBHJZLQFRBFGMI-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE Cc1cc(C#N)nc(Sc2cc(I)ccc2Br)c1 2316389175 XDPDZNLHFLUJEA-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE Cc1ccc(CCCC(=O)N[C@@H]2CCN[C@@H](C(=O)C=Cc3ccc(C(C)C)cc3)C2)cc1 2318584864 SDINIBFWLNPNRU-CLJLJLNGSA-N 432.608 4.960 30 10 IJEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(C35C[C@H]6C[C@@H](CC(O)(C6)C3)C5)C4)C2=O)o1 2322436669 USAABFJUCGLFLB-HVRNZWLGSA-N 447.531 4.748 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c1 2323141635 AXVPZXJDTFDGLH-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCc1ccc([N+](=O)[O-])cc1 2323197251 SUSMDCOJIANZCF-UHFFFAOYSA-N 433.416 4.807 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccco1)O2 2323701633 CVBIQRMSGBBSMW-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1O 2325471664 SKSOTDKXZWEODO-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE CCOc1ccc(CCc2nnc(SC)n2N=Cc2cccc(Cl)c2)cc1OC 2325885304 STLVERFYZFFHHT-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(Br)cc1 2327506742 XOBBXFQVXALKIJ-UHFFFAOYSA-N 437.750 4.877 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])c1ccccc1 2330651319 ILANQJQFKDSLHT-XMMPIXPASA-N 437.540 4.942 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2sccc2C)o1 2330841041 VOQLGDWWPUPPDX-UHFFFAOYSA-N 432.571 4.791 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)NCCC)nnc2C(C)(C)C)cc1 2331386786 OHDREJASCXAHCY-UHFFFAOYSA-N 445.633 4.645 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(F)c2)c1 2331421612 DLCRKIQBVHMKJQ-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccccc1C 2331432654 PLELZURFTRZOSV-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3CC)nnc2C2CC2)cc1 2331726438 KQISZFSRVMHZRK-UHFFFAOYSA-N 449.580 4.730 30 10 IJEE CCCN[C@@H](C#CC1CC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2362736587 LFNDUEPGAIQSRC-PMACEKPBSA-N 435.406 4.667 30 10 IJEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCC(=O)OCC 16042068 TXNXNEYQTWNEIP-LHVUSNKQSA-N 445.600 4.817 30 10 IJEE biogenic CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cccc(F)c2)c1C 32973410 FJLCOZRXBGINJI-UHFFFAOYSA-N 439.510 4.547 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2)c1 33431256 XFCHNFWKYLNXDR-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C/c2ccc(C)cc2O)C1=O 36301394 BFXAZYOLMUIIGN-CPNJWEJPSA-N 425.506 4.643 30 10 IJEE COC(=O)c1c(/N=C/c2cc(Br)c(OC)cc2OC)sc2c1CCCC2 59460116 QVEQBGMMCDIUSH-UFFVCSGVSA-N 438.343 4.944 30 10 IJEE COCCCN/C(=N\[C@H](C)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(C(=O)O)cc1 65302156 GGHIWBYTWBOHCR-KNEUKCCGSA-N 427.589 4.774 30 10 IJEE C=CCn1nc(SCC(=O)Nc2ccccc2F)nc1-c1ccc(Br)cc1 72261746 TWIPZCAOPWOXHJ-UHFFFAOYSA-N 447.333 4.764 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(F)cc1C 101189455 DIOJLIRGFMSUBJ-UHFFFAOYSA-N 440.544 4.838 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2OC(C)C)cc1 169976389 VUDAZEYCZAQQBU-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccccc2)cc1 170053310 WCKYGJVSSXCGRE-DEOSSOPVSA-N 440.499 4.990 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccco1)c1cc2ccccc2o1 170091296 BNAKPPTUHLUDQJ-JOCHJYFZSA-N 443.411 4.580 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)c1 170163758 ZEAULZIFGUEPGX-FQEVSTJZSA-N 427.522 4.676 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)c1 170184016 CEZLWVYJRGGRKD-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCO2 170247018 LKSZMDHTCNALQV-OAQYLSRUSA-N 435.476 4.601 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1C 170271865 SNRVZOIVHQYBJY-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccco2)ccc1Cl 170292854 ZRGCJJOCIIDYCB-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 170389300 CKAIYNBMHICYSA-OAQYLSRUSA-N 448.406 4.531 30 10 IJEE COC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2C)cc1 170424318 GQWDPKGXDXZEPS-NRFANRHFSA-N 447.512 4.622 30 10 IJEE O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCCSC1=Nc1ccccc1 254404770 FBHRZXGAYXDXRI-UHFFFAOYSA-N 440.528 4.653 30 10 IJEE Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 437462838 XFLXHRNEBWDRLL-OXQOHEQNSA-N 448.523 4.924 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCO1 460926341 UBJJZSBFBOKMFH-HXUWFJFHSA-N 433.581 4.714 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@@H]1CCCO1 461119756 AQMNMJHUPBLJGR-HJOGWXRNSA-N 448.567 4.530 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 466538742 DOBLLDVSPBVKOT-CQSZACIVSA-N 444.910 4.792 30 10 IJEE C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 479041729 FJCPNQHORCOFOO-ORAYPTAESA-N 447.482 4.699 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)nnc1-c1ccccc1C 481385038 BWKPEPHOHMMKRY-QZTJIDSGSA-N 436.581 4.806 30 10 IJEE C=CCn1c(-c2cc(-c3ccco3)nc3ccccc23)nnc1N1CCO[C@H](C2CC2)C1 508897332 WTNZMUCBNPZAHY-QHCPKHFHSA-N 427.508 4.555 30 10 IJEE N#Cc1cccc(CC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)c1 531147079 JVFPPRDSAURSSP-UHFFFAOYSA-N 425.275 4.694 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)c3c(F)cccc3I)c2C#N)C1 531600363 BSSUFWKQLXRQPX-SECBINFHSA-N 440.281 4.741 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 549685261 HXXMQXGDIZJNLU-JTHBVZDNSA-N 433.604 4.521 30 10 IJEE C=CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586145209 WAQVACHGVMTEOW-UHFFFAOYSA-N 426.626 4.825 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 586673396 PHNNIAOILDZUGC-UHFFFAOYSA-N 429.904 4.815 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669815883 CIFGRBDBAIPBFQ-IBGZPJMESA-N 429.524 4.611 30 10 IJEE N#Cc1cc(Br)cnc1Nc1cc(Br)cc(Br)c1 690323913 YUAKKQCJKCLGFE-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705507662 SXJRQDPBZHEWBM-FTBPSBKWSA-N 436.596 4.905 30 10 IJEE CCOC[C@@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccccc1C 708811565 QYSGQHJUOBQYPO-HSZRJFAPSA-N 433.549 4.560 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccccc1OCC#N)c1ccc2c(c1)OCO2 731961191 KLDUJHOIPFIKOP-UHFFFAOYSA-N 442.471 4.729 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)cc1 733200873 IGBNXGBPWGJQKX-HXUWFJFHSA-N 439.968 4.940 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CC=C(c3ccc(Cl)nc3)CC2)c1=S 773250533 AQHFPPWGJQRXJK-UHFFFAOYSA-N 438.988 4.847 30 10 IJEE C=C[C@@](C)(CCOC)COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 784635028 UXYVVKQQAGYJCV-IERDGZPVSA-N 428.356 4.618 30 10 IJEE COc1cccc(/C(C)=C/C(=O)[C@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 787046817 SSZCNQHORJKWEU-ITBQNWRQSA-N 431.319 4.992 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CCCN1C(=O)OC(C)(C)C 790647535 BWSSVRHBOARZGA-ONOMSOESSA-N 440.993 4.503 30 10 IJEE C=CC[C@]1(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 792546915 GVNNLMARNQDDLN-STWLZBDKSA-N 446.563 4.850 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809891687 WOGVZADTLBAVDP-VWLOTQADSA-N 434.609 4.595 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 1083968526 IYVDEJUXUXGGCT-UHFFFAOYSA-N 438.509 4.521 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)cn2)c1 1124905937 CAEYYEOLVOVQTJ-UHFFFAOYSA-N 449.470 4.574 30 10 IJEE C=CCN(C(=O)Cc1c(C(C)=O)oc2cc(C)ccc12)[C@@H](Cc1ccccc1)C(=O)OCC 1128112441 UFOJDWVCYCGHQS-QHCPKHFHSA-N 447.531 4.675 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccc(F)c(F)c1 1128248356 BHGLMUONQZPSJN-IBGZPJMESA-N 432.268 4.960 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@](F)(c3ccccc3)C2)nnc1-c1ccco1 1132703688 SWTIVUBTEQUQED-QHCPKHFHSA-N 440.544 4.694 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(Cl)ccc3I)cc21 1134354239 SNEBZEVMPZYJKP-UHFFFAOYSA-N 437.668 4.733 30 10 IJEE C=CC[C@]1(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)CCCN1C(=O)OC(C)(C)C 1136463493 QKDXIWWTJDEBCX-TVZXLZGTSA-N 442.600 4.959 30 10 IJEE COC(=O)c1ccc2[nH]cc(C3CCN(C(=O)c4cccc(SCC#N)c4)CC3)c2c1 1178387452 GMEJSZWPLXKYIR-UHFFFAOYSA-N 433.533 4.590 30 10 IJEE C#CCCCCCC(=O)N1Cc2ccccc2OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1179248207 ZMGFBNWKGXZQEE-UHFFFAOYSA-N 440.584 4.761 30 10 IJEE C=CCn1c(SCC(=O)NCCCCC)nc2sc(-c3ccccc3)cc2c1=O 1188531196 RFXZVULYXKBXNL-UHFFFAOYSA-N 427.595 4.710 30 10 IJEE C#CCN(Cc1ccc(-n2ccnc2)cc1C)[C@H]1CCOc2ccc(Br)cc21 1191048724 SGFMGGJZSXOKLZ-QFIPXVFZSA-N 436.353 4.902 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 1200402849 PGERVVSVATZYQG-UHFFFAOYSA-N 425.532 4.638 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccc(OC2CCCCC2)cc1 1209042846 DQGBRIXYEKTNRG-UHFFFAOYSA-N 438.471 4.767 30 10 IJEE C#Cc1ccc(NC(=O)NCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)c(Cl)c1 1209897935 IQKZHNLBXQJJFB-UHFFFAOYSA-N 425.916 4.894 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1)C1CCOCC1 1217158415 DGVKERGGMGDIAF-HXUWFJFHSA-N 430.451 4.514 30 10 IJEE CN1CCC(N(Cc2ccccc2Br)C(=O)Nc2cc(F)cc(C#N)c2)CC1 1219799049 CVVXYDDSUBHEJU-UHFFFAOYSA-N 445.336 4.588 30 10 IJEE C=C(CNC(=O)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccccc1 1251694470 JFIFUYNZBXCCLK-RDGATRHJSA-N 432.495 4.589 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccc1F)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1252779188 QVJIXXHWAJLVGD-OAQYLSRUSA-N 431.552 4.567 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(c3cccc(OC)c3)CC2)CCCN1C(=O)OC(C)(C)C 1269225876 FKSFNQLTYSTOFZ-RUZDIDTESA-N 428.573 4.747 30 10 IJEE CC(C)c1nc(C(=O)N2CCCc3nc(C#N)ccc32)nn1-c1c(Cl)cccc1Cl 1277876601 CFUCKVIKOBZXBH-UHFFFAOYSA-N 441.322 4.557 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1286294454 DBXGJFZTOHRQPP-RTBURBONSA-N 431.625 4.504 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)C1CCCCC1 1286302932 BAUCQBUJWWWKNN-SFHVURJKSA-N 446.064 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC1(OC)CCC1 1286564046 STCGZOKGEBDKHO-UHFFFAOYSA-N 425.577 4.509 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1286632478 ATYXDLIVBBYVCJ-JSGCOSHPSA-N 425.758 4.607 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(Br)cc2)CC1 1286663384 LNTAJHKKCKWBBJ-LJQANCHMSA-N 445.405 4.580 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(N(C)C)CCCC1 1286730206 CPMCMAQXCOUXAB-UHFFFAOYSA-N 438.403 4.661 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)cc1F 1286763933 ZGKICKOWOJHFKA-UHFFFAOYSA-N 436.487 4.871 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC(Cn2cccn2)CC1 1286795962 FPCHJWFKIHTGSB-FQEVSTJZSA-N 434.588 4.518 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1286825128 HABIVKQGQMOPHL-OALUTQOASA-N 442.629 4.898 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2ccc(Br)cc2)o1 1289521976 FXIXILVFSREVSC-AWEZNQCLSA-N 428.334 4.590 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccccc1 1289587413 WFVMQXSIQJNMCO-AMBJDXJFSA-N 441.553 4.930 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1293907770 GGTZOJBYUXDGIU-QZTJIDSGSA-N 440.592 4.697 30 10 IJEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C(CC)CC)no2)CCO1 1294065164 BANOLXGLBKSUND-OAQYLSRUSA-N 448.571 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCc1ccccc1 1300282062 GCTQUWCQYYEOAX-OALUTQOASA-N 434.609 4.806 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1300770250 QIMMKCUDETYCER-VWLOTQADSA-N 436.625 4.859 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](CC)C1 1300837488 POCRYLQQHFZFDB-ZDUSSCGKSA-N 440.183 4.853 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1300991116 PMGJHMNQRQXZAW-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1301097365 VFPYNBSSUQAQHO-VGOFRKELSA-N 433.021 4.931 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301202476 KIKHCFVILYJOFJ-MPGHIAIKSA-N 442.457 4.679 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1301202533 LJKBEOXSXWJUDK-IBGZPJMESA-N 429.584 4.834 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCCOCC1)C(C)C 1301367544 PSLOCVCOFBNCAV-QFIPXVFZSA-N 449.599 4.617 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 1307163262 CRCNWTSSWNIUKL-MKQGEQSTSA-N 435.590 4.999 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)Nc1cc(C)cc(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1310871540 BDIVWNGUNRVLFW-NLFFAJNJSA-N 446.595 4.884 30 10 IJEE C=C(C)CN1CCC(NC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 1311891257 JRUWKHLGTVUKJY-ZRCGQRJVSA-N 441.616 4.792 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1313909143 BJLIWXOYVZHAJC-HSZRJFAPSA-N 434.632 4.782 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCS1 1316089318 DKOYKBBGJWMYPI-NRFANRHFSA-N 441.645 4.677 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)COc1ccc(C#N)c(Br)c1 1352223289 CDBCHKRFSKBYFS-NSHDSACASA-N 442.140 4.754 30 10 IJEE COc1ccc2cc(COC(=O)COc3ccc(C#N)c(Br)c3)ccc2c1 1354976642 DSWFVJQKRIWSCX-UHFFFAOYSA-N 426.266 4.605 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccccc2OCCN(C)C(=O)OC(C)(C)C)c1 1357421691 GUMPKDJHKKJTGE-UHFFFAOYSA-N 426.513 4.749 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C2CC(C(C)(C)C)C2)c1 1358902683 WLVIWFNTGQLHRR-KITAHSCOSA-N 449.599 4.573 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@H](C)C1 1358912001 HQJAYIZPJFWPTK-LEWJYISDSA-N 443.636 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@H](F)C1 1359067682 XRJQKEQOWSWZPH-KNOQFWTLSA-N 440.563 4.871 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(CCC)CCC 1359077912 OECXWKDKKNBARB-UHFFFAOYSA-N 445.203 4.581 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccs2)CC1 1359117611 JSGFEPPUOKOEEM-HXUWFJFHSA-N 437.613 4.999 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359120181 MWSQWIOEBRDJPR-MRXNPFEDSA-N 431.968 4.620 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1359168838 KZZLYEDUNBBBEC-FDDCHVKYSA-N 430.618 4.533 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCCC2)CC1 1359174051 VOHHROTVJWPYQE-GOSISDBHSA-N 429.996 4.570 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccsc2Br)CC1 1359180115 RYJWPXKSKMNUQN-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 1359194236 RKBZMWFDXZINHC-OAQYLSRUSA-N 449.624 4.785 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1359194962 DOTZSZATANZDST-UFPGJGBJSA-N 438.616 4.783 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C2CCCC2)CC1 1359205539 BBZNYLAAFGYBKQ-UHFFFAOYSA-N 448.615 4.540 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 1359248689 YLDKWCRCSKSBNG-PBHICJAKSA-N 449.368 4.553 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1 1359254991 KLYSQZVLXQAGJR-IRLDBZIGSA-N 442.629 4.659 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1ncc(C)s1 1359273416 ZLQSQBJCHGVANW-HNNXBMFYSA-N 429.540 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@H]1CCCN(C(C)C)C1 1359276684 MMGADDDGAKGZDH-QFIPXVFZSA-N 433.600 4.894 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCc1nccs1 1359338899 LJRDKCOQBSAWHL-UHFFFAOYSA-N 437.997 4.792 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1359344702 GMBJXJLQJUAAKC-XMMPIXPASA-N 426.630 4.682 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)c1 1359863163 FYMPIBKXDDBVOD-UHFFFAOYSA-N 443.568 4.554 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)ccn1 1361005282 HOHAVDAOVPCMFU-UHFFFAOYSA-N 431.452 4.740 30 10 IJEE CCc1ccccc1-n1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1 1435006939 ADQOOXBXNIFBPR-UHFFFAOYSA-N 441.466 4.672 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 1435177283 YHDGRAYTFPIFKA-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccccc3OCc3ccccc3)cc2C1=O 1435726484 OXCLVPBETGJHPK-GOSISDBHSA-N 440.499 4.539 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C[C@H](Cc3ccccc3)c3ccccc3)C2=O)cc1 1435867758 HEQUJUHXSSOIOC-AZGAKELHSA-N 437.543 4.586 30 10 IJEE CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(Cl)cc1Cl 1436647795 CUKYVCBXMBCBBU-MJBXVCDLSA-N 447.384 4.699 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)Cc1ccc(Br)cc1 1441494314 JQQCFEGGNNEJSP-MRXNPFEDSA-N 440.341 4.561 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 1445699028 ISSWLVYXIKIJEL-HSALFYBXSA-N 434.577 4.724 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C 1447755460 SDIRGJFBLVIBCK-UHFFFAOYSA-N 427.545 4.508 30 10 IJEE C#CCN(C(=O)Cc1cccc2cnccc12)[C@H]1CCOc2ccc(Br)cc21 1456443841 FHINSDNJLXKOLG-NRFANRHFSA-N 435.321 4.525 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)C1 1458426315 BGAXBDIVXVKHEK-UXHICEINSA-N 442.604 4.539 30 10 IJEE C=CCn1c(SCc2cc(O)ccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458727684 CQZDFMWYKDVNIE-GFCCVEGCSA-N 443.550 4.675 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1459564711 VVOVYBSRZMTVGD-IBGZPJMESA-N 449.661 4.620 30 10 IJEE C=C(C)COc1cc(CNc2ccc(OC)cc2I)ccc1OC 1461485441 CEFWADVQPPFEKH-UHFFFAOYSA-N 439.293 4.875 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)ccc1OCC 1464637746 KSADELOXRDWDTB-IBGZPJMESA-N 448.382 4.549 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 1465664255 PHIPMVXIJHCWAW-UHFFFAOYSA-N 433.895 4.926 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 1467792358 CQTGWHXDZMXHHG-FQEVSTJZSA-N 447.501 4.529 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 1470075746 ZMCJVIZWUSROAH-HTAPYJJXSA-N 430.545 4.800 30 10 IJEE COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 1471742039 GBHQSCVKPDXVTO-NSYGIPOTSA-N 446.503 4.528 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)CC1 1471755359 NOHQCXGPCKRRPB-UHFFFAOYSA-N 432.973 4.925 30 10 IJEE C=CCn1c(SC[C@@H]2CCCC[C@H]2C(=O)OC)nc2sc3c(c2c1=O)CCCC3 1472931743 YSTJAGAJIRMCTO-LSDHHAIUSA-N 432.611 4.594 30 10 IJEE C#CCN(Cc1ncsc1Br)[C@H]1CCOc2ccc(Br)cc21 1473167340 GHUNPABBKVXQRL-AWEZNQCLSA-N 442.176 4.627 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2cc(Cl)ccc2Oc2cccc(Br)c2)CC1 1476608241 RQEYHEJQJHVMBZ-UHFFFAOYSA-N 449.732 4.887 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccccc1)C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1477812922 UMVKNPCWSLDTCC-JOCHJYFZSA-N 425.573 4.572 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)C1 1497677050 FBPOYLSFSYQEIA-RUZDIDTESA-N 447.583 4.951 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCN1CCC 1507518748 NBBWFNNCNAMXIF-NQIIRXRSSA-N 448.640 4.709 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1c(C)nn(C)c1C 1507529704 QXEHCAUQXSBANL-OAHLLOKOSA-N 448.571 4.669 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OC(C)C)CC1 1507556295 KFMGUTBSKRCCPY-UHFFFAOYSA-N 430.980 4.804 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CN(C)CCCC)CC1 1507596615 LVYMPHQAVHUYRX-DHIUTWEWSA-N 443.680 4.558 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1507668087 XBYZCARLFOCJMS-UHFFFAOYSA-N 443.526 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)c1ccco1 1507811349 QAPYHFBWHKEMLU-IXFSTUDKSA-N 440.519 4.768 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)cc1 1507815674 CPKZGCCZECLWDA-UHFFFAOYSA-N 428.378 4.805 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1csc2ccccc12 1507816125 DBZFFANNNSTIPN-XMMPIXPASA-N 440.613 4.790 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1507858576 ODRPCGZLXQLDNT-SFHVURJKSA-N 432.355 4.614 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCc2ccc(Br)cc2C1 1507932150 NHCBYXWUJMYPAK-UHFFFAOYSA-N 440.389 4.965 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccccc2CC1 1507939405 NBHFEUWBZDEYEA-UHFFFAOYSA-N 426.362 4.607 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N1CCCCC1)C1CC1 1507989352 BEISNMDGMYJWHH-UHFFFAOYSA-N 448.398 4.809 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCC(F)(F)C1 1507997561 BIGWJQFZBIJRKD-IBGZPJMESA-N 441.526 4.920 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1508005962 CYVSPJPWXKIRFN-OALUTQOASA-N 431.650 4.543 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@H]1N(C)CCCC1(C)C 1508005978 DZYOBTAMQRTNPA-JOCHJYFZSA-N 425.596 4.683 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)C(C)C 1508009199 MQLFHRTVINAHPA-HSZRJFAPSA-N 426.586 4.615 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)CN2CCCC2)C1 1508115736 LBMJTNQCDXKFTH-OAQYLSRUSA-N 444.023 4.502 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC[C@@H]1CC 1513040265 BPTJMLFEIJKAPT-OYDLWJJNSA-N 434.632 4.812 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@@H](C)Oc3cc(C)c(Br)cc32)c(OC)c1 1514814369 VMNIDUHLEDKHPC-OAHLLOKOSA-N 446.341 4.688 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(Sc4ccc(C)cc4)CCCC3)cc2C1=O 1515566912 YIDVQCOUZYSTIW-UHFFFAOYSA-N 434.561 4.612 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1519986413 IOEGTWFJMGOLEN-KRWDZBQOSA-N 430.545 4.784 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([C@@H]2CCCO2)CC1 1539056007 PSUSKSQBRRFGAC-NRFANRHFSA-N 442.991 4.806 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1539499317 IGDYOVABVOLBRG-HZPDHXFCSA-N 433.419 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1Cc1ccc(N2CCCC2)nc1 1539671192 GFXPJYQBBSBWTC-UHFFFAOYSA-N 430.600 4.623 30 10 IJEE C=C(Cl)Cn1c(N2CCc3sccc3[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1539820770 QRMZLESHESNBOQ-DYESRHJHSA-N 437.009 4.647 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)COCc2ccccc2)CC1 1539885150 WWOPPARPPOVDHE-HXUWFJFHSA-N 431.584 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1539918316 KYSMPTZXYJBJLN-UHFFFAOYSA-N 439.579 4.640 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1539963379 SGBHEXMHHNNECN-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1539981743 KORIOVPWCMGXBE-UHFFFAOYSA-N 443.382 4.940 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(OC(F)F)c1)C1CC1 1540101613 IPLGILGOSXLHQB-UHFFFAOYSA-N 425.483 4.707 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1sc(C)nc1C 1540158500 JYPQTESUAAQGNF-UHFFFAOYSA-N 429.977 4.907 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 1540412938 KHLLSPBGKFAMBW-RXVVDRJESA-N 432.561 4.521 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540911294 QMXWYZANRGQCCY-SFHVURJKSA-N 443.020 4.635 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](N2CCCC2)C1 1540912031 KLUXGZBEARTAAF-SFHVURJKSA-N 432.037 4.582 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1541118662 FJNBLRZMKOVHAW-OTNCWRBYSA-N 448.659 4.907 30 10 IJEE CC(C)(C)c1csc(Cn2c(CC3CCCC3)nnc2N(CCC#N)CC2CC2)n1 1541144726 DSQVPABMTCYFMJ-UHFFFAOYSA-N 426.634 4.943 30 10 IJEE Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCC#N)CC2CC2)s1 1542381623 GUFNVUZDHGLMPK-UHFFFAOYSA-N 445.390 4.584 30 10 IJEE C=CCC[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1 1546025944 XUVIKZLZPWKHNA-SFHVURJKSA-N 449.864 4.836 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 1556214409 MRIHYAPTNIRKEJ-UHFFFAOYSA-N 449.576 4.797 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)c1ccc(F)c(F)c1 1556261521 MFRBHFQQZYYLTP-NRFANRHFSA-N 427.300 4.620 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)Cc3cccc(Cl)c3)ccc2c1=O 1558952700 JKLVZEUBIMLLIU-UHFFFAOYSA-N 441.984 4.523 30 10 IJEE C=CCn1c(SCc2cc(=O)oc3cc(O)c(CC)cc23)nnc1-c1cccs1 1559382532 KXRXDTVEPWBJQE-UHFFFAOYSA-N 425.535 4.859 30 10 IJEE C=CCC[C@@H](NC(=O)NCCC(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 1564406665 KWVLTHTXAWWQQN-HXUWFJFHSA-N 433.474 4.718 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 1567225226 WMHDFHSADADARD-PMACEKPBSA-N 429.948 4.632 30 10 IJEE C/C(=C/C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(C(F)(F)F)cc1 1585090707 OHEJVXHWMVSYAC-LGMDPLHJSA-N 427.470 4.761 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc(C)c(Br)cc2CC)cc1OC 1586113838 XFFFSOYOYSWNFO-CSKARUKUSA-N 431.330 4.940 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](OCC=C)C1 1587808445 RQHPFCOLIOEBQO-CTNGQTDRSA-N 442.991 4.883 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1587868956 GDXSGVRCOWMVCA-UHFFFAOYSA-N 433.503 4.702 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 1587896899 CDTUESQYYRRJKM-UHFFFAOYSA-N 447.292 4.882 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1ccsc1)N(C)C 1589609430 XWBLCPAZUVLTCB-FQEVSTJZSA-N 440.573 4.620 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1594713876 MIVULWBFOIWUHP-UHFFFAOYSA-N 447.631 4.654 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1594981009 SOKNOMBXYGIJON-WMZHIEFXSA-N 439.604 4.775 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccoc1)C1CC1 1595038130 QBVBHSBMJWTSIU-UHFFFAOYSA-N 429.318 4.512 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1c(C)noc1C 1595108709 IPWYTHPLYBMEMQ-GOSISDBHSA-N 428.540 4.941 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1Cc1cnccc1OC 1595149009 GZZXMMPBRNQZJP-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCc1ccc(F)cc1 1595161827 MQEMCSKQYUJYJB-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)c1c(C)noc1C 1595283505 QWUVOFWHRDUREY-KRWDZBQOSA-N 446.555 4.541 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N(C)[C@@H](C)c2sc(CC)nc2C)cc1 1595613917 KQZFWCQQCWMPTL-KRWDZBQOSA-N 425.602 4.978 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC)c2ccccc2)C1 1595738047 KPKDXPIFUZPHEE-UGKGYDQZSA-N 437.613 4.609 30 10 IJEE C=CCn1cc(C(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(Cl)c(F)c2)nn1 1596780060 DVHWAFAGHQQDFH-UHFFFAOYSA-N 435.286 4.975 30 10 IJEE C=CCc1cc(CNC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)cc(OC)c1OC 1598109861 BHPGJGIFFUIRPC-IBGZPJMESA-N 448.604 4.720 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)ccc2c1=O 1598339398 UWPYPTFJGFYRIG-OAQYLSRUSA-N 437.540 4.672 30 10 IJEE COCC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C(C)C)C2)CCC1 1619636853 GVKFUQAQCDPNKV-OAQYLSRUSA-N 439.629 4.601 30 10 IJEE C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1621247336 ABDCVYGLXFGMMA-XOBRGWDASA-N 435.877 4.947 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H]3CCC3CCCCC3)ccc2c1=O 1622949708 CGBRJNNBLZYMRK-IBGZPJMESA-N 425.598 4.836 30 10 IJEE C#CCOc1ccc(NC(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cc1 1623086444 IYVJRNSJLFDIGM-IBGZPJMESA-N 431.355 4.860 30 10 IJEE C=CCN(CCC#N)C(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1624971294 FYZILVXKAQUOBZ-UHFFFAOYSA-N 443.547 4.576 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1)c1ccccc1 1627430091 LUZRMGABZSEAAP-YTTGMZPUSA-N 444.560 4.950 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 1628894886 DPPPRDZRSCGBRT-OAQYLSRUSA-N 439.346 4.807 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1629022212 ARUOPEHDSKSHSN-UHFFFAOYSA-N 440.588 4.656 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 1634600010 BCPWJWHFKJZYNO-CTNGQTDRSA-N 440.588 4.525 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1)c1ccc(Br)cc1 1636563344 XGFJUGDIZCPKMY-SFTDATJTSA-N 426.358 4.736 30 10 IJEE C=C(C)CN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1641091071 OHGCTBWLNYDADG-UHFFFAOYSA-N 427.353 4.832 30 10 IJEE N#Cc1ccc(Br)cc1OCC(=O)N(CCc1ccccc1)Cc1ccccc1 1643982266 DXRAPWGQKAYMMI-UHFFFAOYSA-N 449.348 4.971 30 10 IJEE Cc1nc2[nH]c(SCc3cc(C#N)ccc3Br)nc2cc1Br 1652701175 CHNYXMINSHQGQV-UHFFFAOYSA-N 438.148 4.955 30 10 IJEE CC(C)[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(=O)OC(C)(C)C 1658365413 CXAAUXKSCJIKJP-JOCHJYFZSA-N 437.540 4.819 30 10 IJEE CC(C)(C)Cc1nc2cc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccc2o1 1659061842 FQDMPGXUYJRGQG-UHFFFAOYSA-N 435.503 4.781 30 10 IJEE COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1F 1661725367 CDWRYTZUWGWCBS-GOSISDBHSA-N 438.524 4.528 30 10 IJEE N#Cc1nc(NC(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1Br 1663862320 ATPUTGZSVACYMS-AULYBMBSSA-N 439.235 4.802 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c1 1666388904 TZPHTDPYMXSLKP-UHFFFAOYSA-N 433.533 4.551 30 10 IJEE C#CCN(C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)[C@@H]1CCCc2ccccc21 1668266700 ZLMADUVZBAOJBS-LJQANCHMSA-N 432.492 4.572 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N(CCc2ccccc2)C2CCCC2)CC1 1671874264 DYWVSRKWXPODNQ-UHFFFAOYSA-N 432.568 4.840 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1I 1672218914 KGJRRLCTZISIQX-UHFFFAOYSA-N 440.712 4.842 30 10 IJEE Cc1ccc(Br)cc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1673458386 HTGPDUREDAEIKY-UHFFFAOYSA-N 433.737 4.637 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(C(F)(F)F)cc1 1675046734 PBBOSUTUFZQXAT-INIZCTEOSA-N 436.390 4.542 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1 1675603603 IIRDYHLVZHZVIF-UXHICEINSA-N 430.932 4.541 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1680284234 KQIOXJCWCZJURB-QGZVFWFLSA-N 440.244 4.752 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1)C1CCOCC1 1680815113 NFBFTEWJRVXSPH-JOCHJYFZSA-N 442.943 4.738 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c1 1683339531 YXCRGIATJPQTGW-UHFFFAOYSA-N 442.494 4.719 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 1683734248 RCXBEWZDEJXVAC-XMMPIXPASA-N 448.611 4.667 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1689948463 WYUGAHZSQCFFTO-VXKWHMMOSA-N 433.644 4.574 30 10 IJEE C#CCSCCn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1cccnc1 1690186824 VBUFIXFEJISSLR-OXQOHEQNSA-N 441.988 4.548 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@@H](OCC)C1 1690292678 LIPNACRFZSPOKC-HXUWFJFHSA-N 432.996 4.833 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1690354046 CKGRMXPNKYJGGV-UHFFFAOYSA-N 444.885 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690435980 JKWVFJXFNLAZFW-UHFFFAOYSA-N 441.664 4.842 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1690475233 KDDCRMIBONMRSS-IBGZPJMESA-N 435.572 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1CCN1CCCCC1 1690579860 VOBKPHMKUWAARL-UHFFFAOYSA-N 435.641 4.917 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)COCC)C1 1690689754 KYTWGUGHSABCBL-KRWDZBQOSA-N 436.959 4.582 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccon1 1690737069 YMSJXEWQDQQTGW-UHFFFAOYSA-N 429.615 4.819 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCc1sccc1C 1705487158 SXJJGXKXXAHRPL-HNNXBMFYSA-N 429.387 4.778 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@@H]1CCO[C@@H](C)C1 1705608579 WYBWKPMLNSLIAB-LEWJYISDSA-N 448.567 4.782 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCc2sccc2C1 1705665169 LXAJYJKMBWNAKU-UYAOXDASSA-N 444.670 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccccc1 1705678818 QIMKGCLOCSZLGB-RKCWLVDCSA-N 436.600 4.656 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1705771960 GVNKXMUWUFWYQJ-XXBNENTESA-N 428.552 4.604 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)CC)C1CC1 1705854907 QTGJDQCPOOJMSJ-GOSISDBHSA-N 431.625 4.984 30 10 IJEE C=CCSCCn1c(N2CCO[C@](C)(CC)C2)nnc1C1(c2ccccc2)CCC1 1705950330 XQICUMAIQWXDMP-HSZRJFAPSA-N 426.630 4.673 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)OC 1708361501 CQKCSJGUWIVHQS-WMDMVVLCSA-N 446.599 4.993 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN(C)C1CCCC1 1708654623 AMNPESSUJXKAAK-ZEQKJWHPSA-N 434.632 4.824 30 10 IJEE CCc1nc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CC2)cs1 1709000324 BRVRHHOWWJJBSF-UHFFFAOYSA-N 436.585 4.574 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722284201 IGNIHMHZDSYQSK-OTWHNJEPSA-N 428.024 4.813 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1722408942 YOZCFCPAECGTHU-FQEVSTJZSA-N 444.526 4.637 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1722450962 DUBNASZZVYBZSN-CMKODMSKSA-N 430.593 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCN(C(C)C)C(C)C 1722475443 CVAVKMNOLRNWAL-AREMUKBSSA-N 437.632 4.585 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 1722577576 KNXAINBRHMDXPY-IBGZPJMESA-N 435.616 4.915 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1722596227 FMWSZWYJBBAAPO-LADGPHEKSA-N 445.611 4.875 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCCN(CCC)C(=O)C1)c1ccccc1 1722596375 HTTQXYGZNQRINM-XMMPIXPASA-N 449.643 4.819 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722611807 BVICHXIQBCTMGV-IBGZPJMESA-N 429.996 4.697 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCOC[C@@H]1C 1722655144 GJPKKKFUOULBPP-PGRDOPGGSA-N 431.540 4.583 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722682727 DWIRZFZYWZYHSL-KVPLUYHFSA-N 430.980 4.736 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@@H]2CCCC[C@@H]2C)C[C@@H](C)S1 1726670792 GUXFWDQQLQHHHL-PSHVLCQKSA-N 439.629 4.742 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 1727303027 DIGWVXSGHINOMI-IBVKSMDESA-N 434.632 4.954 30 10 IJEE CCOCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1728957360 IBKAYDROHFHNFB-MHECFPHRSA-N 443.567 4.750 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccc(C)nc1 1740537849 HQRQNIJUMLBCJY-QGZVFWFLSA-N 428.565 4.587 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)CN1CCCC1 1740537954 ASLNXYQDRFXHOG-RBUKOAKNSA-N 439.673 4.711 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(F)cn1 1740540923 ODYOBRWPZUMHEB-OAHLLOKOSA-N 435.503 4.853 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1740590444 LTVYVPXKHSPOHF-AZUAARDMSA-N 427.618 4.897 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1740597665 SFIGKGRKWZTHOI-UHFFFAOYSA-N 439.673 4.849 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCc1csc2ccccc12 1740656087 HXFMYDHEVYDRDM-UHFFFAOYSA-N 430.602 4.851 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740723398 RIJUHYSLOAKJQR-UHFFFAOYSA-N 444.670 4.639 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)cc2F)CC1 1740836263 MZOPTUNKLHJESK-HSZRJFAPSA-N 448.970 4.562 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C)c1ccccc1 1740854454 PEQCNJARMQTGNS-AKIFATBCSA-N 446.599 4.735 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1Br 1740885330 DIXKKCAAJUISGL-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)[C@@H](C)CC 1740925138 KCPVBBQISHODTJ-KKSFZXQISA-N 433.394 4.683 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cc(C)on1 1740925148 KFQCFQXDFYFLJV-UHFFFAOYSA-N 428.540 4.876 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](F)C1)C(C)C 1740926014 FUHKMBWLPNMHPP-COPCDDAFSA-N 429.559 4.577 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2CCC(OC)CC2)C1 1740973498 YKBDITDWSSOTTE-GXYBFCANSA-N 438.616 4.807 30 10 IJEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2cccs2)C(C)C)cn1 1746353539 GYVRRVCQJZPAIB-UHFFFAOYSA-N 431.569 4.558 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@@H](F)C1 1748550753 ABGJCCKIOAHQOA-SJLPKXTDSA-N 431.943 4.875 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCCc1nc(C)cs1 1748685940 HNMPYMHPBYSIJL-HXUWFJFHSA-N 437.613 4.720 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1748701120 CYUJUXFSKAWNNQ-GOTSBHOMSA-N 449.643 4.755 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C(C)C)C1 1748739533 GZLLZVCXAIQDHM-HNNXBMFYSA-N 439.448 4.760 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H](C)c1nccs1 1748794784 LDSRRKDCAPXTSB-KRWDZBQOSA-N 444.004 4.581 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)c1ccco1 1749023151 ODKLTIKRWBRFCA-OAHLLOKOSA-N 445.386 4.864 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H](C)c1ccco1 1749026647 GCQZHZKIQLHAQU-OAHLLOKOSA-N 430.961 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CCc1nccc(C(F)(F)F)n1 1749162635 SGZHWKGTEZDTKP-UHFFFAOYSA-N 444.505 4.631 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749174979 KBSRDMVXHOKSMF-GOSISDBHSA-N 431.968 4.620 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cnn(CC)c2)CC1 1749335069 NFRHWVYNIZZXOE-UHFFFAOYSA-N 431.371 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](COC)C1 1749375491 CTNYEGSVKSFSOO-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc(Cl)ccn2)nnc1[C@]1(OC(C)C)CCOC1 1749377361 SPQSYUZINNIPCE-QHCPKHFHSA-N 448.011 4.606 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)C1)C(C)C 1749558879 ZEIBZVGUQJQFBL-AZUAARDMSA-N 429.012 4.538 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760134104 ZUMGZWZCEIADJN-SANMLTNESA-N 431.584 4.938 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCSC1 1760241151 QFEAYSYMPPJMTI-QGZVFWFLSA-N 441.963 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCC1(C)CC1 1760298359 DRBXIHGPJRRZFW-JOCHJYFZSA-N 443.389 4.802 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCc2ccc(Cl)cc2C1 1760306070 APIKZBMSBSJJLR-QGZVFWFLSA-N 437.769 4.644 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCc2cc(C)ccc21 1760311698 XQTARPKWFRLUMJ-UHFFFAOYSA-N 430.375 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1ncc(CC)s1 1760318497 GLPJFGATHSKXHC-AVRDEDQJSA-N 437.613 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccs1 1760327821 MKHZRHNRDFXGDN-FYZZASKESA-N 444.645 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1760409262 PNMGIPCFKQYCCF-QGZVFWFLSA-N 443.661 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1760410613 KXHZEYYEUALTOU-UHFFFAOYSA-N 426.952 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC1CCOCC1 1760410845 SRVRKDMOUFLNAG-UHFFFAOYSA-N 448.615 4.986 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1760425885 YCOUTGIHFOGWMS-NRFANRHFSA-N 436.604 4.851 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1760447398 MLWAFRVKANIHLN-WDYCEAGBSA-N 448.409 4.643 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1nccs1 1760502158 PVAXQRVMXIZVAR-UHFFFAOYSA-N 443.642 4.614 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1CC1(c2ccc(F)cc2)CC1 1761076506 COHHWOGHPOOHNT-UHFFFAOYSA-N 432.547 4.977 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(CC(C)C)CC2)cc1OC 1770056929 DHRUESVVUSDLCL-DEOSSOPVSA-N 437.588 4.919 30 10 IJEE COc1cccc(/C=C2/SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c1OC 1772735007 DVUXLULZIYKOLV-YOTBKHOGSA-N 444.582 4.800 30 10 IJEE C=CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=Nc1cccnc1Cl 1772736656 ZCGISVLSOHJLNX-WMUNWQNWSA-N 445.928 4.551 30 10 IJEE C/C(=C1\SC(=Nc2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 1772740063 YPDHYMJNKJYEIL-DBOKLQOQSA-N 437.506 4.953 30 10 IJEE CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1cccc(C(=O)O)c1 1772740168 YZOHNMWBQZJPHS-OCFWRVAFSA-N 449.444 4.787 30 10 IJEE CCCCOc1ccc(/C=C2\SC(=Nc3ccccc3C(=O)O)N(C)C2=O)cc1OC 1772762151 BQNQASXPNFVWQC-KWKLDLJFSA-N 440.521 4.806 30 10 IJEE CCc1nc2ccccc2n1-c1ccc(C(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 1859760183 APMHLVJCIJKECL-UHFFFAOYSA-N 432.487 4.898 30 10 IJEE CCc1nc2cc(C(=O)Nc3oc(C)c(C(=O)OC)c3C#N)ccc2n1C1CCCCC1 1859760780 QLYYRAMATCAURU-UHFFFAOYSA-N 434.496 4.916 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccccc1 1860728881 VSUFLJWNIRZFRO-OQLLNIDSSA-N 430.504 4.561 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc2c(c1)OCCO2 1862419044 PDWQCYLHXMWELT-NRFANRHFSA-N 443.446 4.505 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F 1862473872 HVYHUMIEKWEPII-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862479107 YSQNACNPJRGEPE-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862479419 GWCYQGIUVYAXES-XMMPIXPASA-N 442.515 4.957 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862481701 FAFIYNGFJLYTRK-XMMPIXPASA-N 430.548 4.898 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(Br)c1 1862552169 BBZVOPMGHXHDID-HXUWFJFHSA-N 440.337 4.926 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(Cl)c2)c1 1862557730 OPPCALSCRRIYQG-JOCHJYFZSA-N 448.906 4.580 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 1862607152 HUZVZKAFEGSWAH-NRFANRHFSA-N 441.911 4.880 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 1862653563 FKCUNLXZUCSFKU-JOCHJYFZSA-N 430.460 4.982 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862668637 DGNSWNKLOWCOIR-SZNDQCEHSA-N 438.480 4.801 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Br)c1 1862696753 VTOULVBFQYTYFC-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc(F)c2)c1 1862748406 ADXIWENOJMUQJI-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(C)cc2)C(=O)N(CCCN(C)C)C1=O 1863617821 VUJGUPWTOSODNZ-UHFFFAOYSA-N 427.633 4.757 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1sccc1C 1864498585 MMZFCYSLAPJETB-SFHVURJKSA-N 430.618 4.753 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)COc2ccc(CCC)cc2)c(C(=O)OCC)c1C 1865773168 NDBZPVWAZGYAMF-UHFFFAOYSA-N 445.537 4.546 30 10 IJEE N#Cc1cc(Br)c(NC(=O)Cc2c[nH]c3ccccc23)c(Br)c1 1865991812 SZHZYYRMXPPDDD-UHFFFAOYSA-N 433.103 4.746 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cn(C)c3c(C)cc(C)cc3c2=O)c1 1866219675 AZQVYXCNYDWPTD-UHFFFAOYSA-N 449.510 4.819 30 10 IJEE CC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866973680 LXHVULMQMGDZAC-WOJBJXKFSA-N 442.357 4.594 30 10 IJEE CCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867349869 FFJQUFMMSKQLRU-DQEYMECFSA-N 425.532 4.942 30 10 IJEE CCCCCCCCNC(=O)c1cn(-c2ccc(Br)cc2C)c(=O)cc1O 1870128329 PRZXCQVIVPZIHL-UHFFFAOYSA-N 435.362 4.704 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(C)c2ccccc12)C3=O 1871348348 AIUYNYDBJJTIHL-OYKKKHCWSA-N 445.563 4.597 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)c1 1871380234 DNQPQPSHFIIMRS-QIHFTWRUSA-N 432.428 4.840 30 10 IJEE CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871403583 ZYASZBPKFVDXEW-XMSCMFJESA-N 444.487 4.811 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(C#N)cc3)ccc2C1=O 1871417113 CGPFKOYYHRTQQU-GATIEOLUSA-N 443.455 4.779 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1871996090 QKJYGEWOKSDMOF-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872108888 KRFMDDARFZCRTN-OPAMFIHVSA-N 443.544 4.537 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(F)cc1 1872412199 FZTCNPYXPGFECC-QFIPXVFZSA-N 432.561 4.898 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SC 1874296171 NINAAXXDBSKJJL-OEAKJJBVSA-N 433.493 4.543 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1Cl 1874419389 KYVBIPHSGIAVGS-ZMOGYAJESA-N 442.972 4.696 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(O)cc2)c1 1874426617 QPLHLSICINAVAY-MFKUBSTISA-N 443.532 4.572 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc(C)c2)cc1 1874442651 HVIJWJUAOBIOCI-JAMLUQCHSA-N 449.580 4.613 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)ccc1Cl 1874446213 VUAFHYJQWFTECV-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)cc1 1874492623 WLHFRRMUXMONBX-DZTFFZQKSA-N 449.624 4.891 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccs2)cc1 1874494400 ZZFHAFZHKCDRAH-LPYMAVHISA-N 425.583 4.783 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874495834 HYUOCINLOGCEJH-FSJBWODESA-N 437.525 4.951 30 10 IJEE COc1cc(Br)cc(/C=N/n2c(C)nnc2SCc2ccccc2C)c1O 1874529935 JCMUGHCIVNYXQW-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2cccc3ccccc23)cc1 1874530652 UFRGBPRSHDGPBN-MFKUBSTISA-N 429.549 4.915 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CCc2ccccc2)ccc1OCc1ccccc1 1874560502 ABKQQKDJGDBPLK-YZSQISJMSA-N 444.560 4.822 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(S)n2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1874570891 NOLLJEJDTXKGMI-HZHRSRAPSA-N 439.541 4.666 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)OCC(C)C)c2)c(OCC)c1 1874600544 RHVZZWQNOHDAFT-JLHYYAGUSA-N 426.509 4.958 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1875118468 XUSNVIOJMGGJKM-SDNWHVSQSA-N 448.471 4.836 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 1875119471 WKPBUMNJSJCTMI-PKNBQFBNSA-N 448.387 4.627 30 10 IJEE CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H](c2cccc(F)c2)C1 1891115767 NXHWJNYQWQFLGW-QGZVFWFLSA-N 434.355 4.992 30 10 IJEE C[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2006296801 LGPOHRFIHYNDMZ-HZPDHXFCSA-N 428.330 4.557 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2c2c(Cl)cccc2Cl)o1 2033813315 NXCZPSOHLNQRNL-AWEZNQCLSA-N 436.276 4.529 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CN(C(=O)OC(C)(C)C)[C@]2(CCCOC2)C1 2038943566 IWMRSCNCRKWZBQ-DNQXCXABSA-N 449.592 4.618 30 10 IJEE CC[C@@H](c1ccc(C)c(F)c1)n1nc(C2(C)CC2)c(/C=N/O)c1I 2078980243 ZHJXVVNGHBEJJD-LKKXKRCMSA-N 441.288 4.794 30 10 IJEE Cc1ccc(Cn2nc(C3CCOCC3)c(C#N)c2Br)cc1Br 2080339838 NDCRQJFUNDTREH-UHFFFAOYSA-N 439.151 4.531 30 10 IJEE C[C@H]1C[C@H](CNc2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2115817395 GLZXTIAMMRNBNT-QWHCGFSZSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1Nc1cc(Br)cc(C#N)c1 2162300789 JBKVIOYPCRXEPD-OALUTQOASA-N 428.330 4.923 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3c(Cl)cccc3Br)CC2)OC1(C)C 2169453705 CVALMGLOPOZAGM-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1C#N)C1CCCC1 2181054949 CTLKEZOHBPOKMD-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2235744885 ACDXYBYGHPPABN-QZTJIDSGSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)NCC1([C@H](N)C#Cc2ccccc2Br)CCCCCC1 2235749403 KFJYJCYDBZRAHD-LJQANCHMSA-N 435.406 4.993 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2ncc(Br)cc2C#N)C[C@H]2CCCC[C@H]21 2240974084 WITPRSJGMFRZEY-XOKHGSTOSA-N 435.366 4.696 30 10 IJEE Cc1ccc(I)c(C(=O)[C@@H](C#N)c2cccc(Br)c2)c1 2240994173 UVTIJACOEGBLNT-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE Cc1ccc(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)c(NC(=O)OC(C)(C)C)c1C 2260823326 CYWIUNANPVBFQB-JLHYYAGUSA-N 430.354 4.568 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)C2CCCC2)cc1B1OC(C)(C)C(C)(C)O1 2267491795 IWJYUXUNCLGVAA-UHFFFAOYSA-N 435.373 4.579 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267569646 YWBJWCTXIKDUQZ-OALUTQOASA-N 444.381 4.547 30 10 IJEE CC1(C)OB(c2cnc(N[C@H]3CC[C@H]3OCc3ccccc3)c(C(F)(F)F)c2)OC1(C)C 2272994882 CNGMQKQFNXEDGF-RBUKOAKNSA-N 448.294 4.559 30 10 IJEE Cc1ccc(C(=O)N2CC[C@@]2(C)CCOCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2282107867 QHELDZFUAHWNRG-MHZLTWQESA-N 449.400 4.506 30 10 IJEE Cc1cc(CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)sc1Cl 2282642051 IDGDIHKVEKLPGY-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE COCCN1C(=O)C(=Cc2cc(Br)ccc2OC)SC1=Nc1ccccc1 2294137704 ZOZZDQVSQYJXSK-UHFFFAOYSA-N 447.354 4.708 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@H](N)C#Cc2cccc(Br)c2)cc1 2296216271 IXPLQXDBIYWZRN-HXUWFJFHSA-N 429.358 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C 2296275427 ZDSQGRHEUDBSAZ-AHRSYUTCSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)NCC1([C@H](N)C#Cc2cccc(Br)c2)CCCCCC1 2296282898 APPFWVYQNUAUSO-LJQANCHMSA-N 435.406 4.993 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)c1ccc(N(C)C(=O)OC(C)(C)C)nc1 2296303156 RUEHOJPVRQKFGH-GOSISDBHSA-N 430.346 4.528 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 2314479111 ZXOAMJCJZFAKNM-XMMPIXPASA-N 429.472 4.856 30 10 IJEE COc1ccc(C=NN=C2SC(=Cc3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 2314818725 JXWGRTZWFOLTGI-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE CC(C)(C)OC(=O)NC1CC(C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317347149 SNUMKAWBWSIQDX-VAWYXSNFSA-N 430.354 4.551 30 10 IJEE COc1cc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C2CC2)ccc1O 2320915334 YOEVOUYURKARRB-UHFFFAOYSA-N 432.908 4.837 30 10 IJEE CCCCCCOc1c(Br)cc(C=Nn2cnnc2SC)cc1OC 2321204857 XKVKFXIOPNNJDU-UHFFFAOYSA-N 427.368 4.612 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(CCCCN1CCCC1)CO2 2322119033 GLKXEOBEJHBELJ-UHFFFAOYSA-N 436.527 4.778 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2ccc3c(c2)CCCC3)c1OCCO 2322339336 RKLDGGVIWSSQKM-UHFFFAOYSA-N 431.326 4.604 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(CCCn1ccnc1)CO2 2322373957 LTKJMAKAOIGDRS-UHFFFAOYSA-N 435.911 4.703 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC)c(OC)c4)c3C)C2=O)c1 2322748357 DLJNXHJHVHVYIU-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1OC 2323060089 HDERCFWWSULDDM-IBGZPJMESA-N 445.515 4.856 30 10 IJEE CCCOC(=O)COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC 2323097761 LKBBIGRKUQHQQR-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2324373318 CJTQZNVIWIGHFT-MRXNPFEDSA-N 443.455 4.746 30 10 IJEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325107911 FWMGUAINUGXELW-UHFFFAOYSA-N 430.884 4.613 30 10 IJEE Cc1c(OCC(=O)Nc2nc3ccccc3s2)ccc2c1OC(=Cc1ccco1)C2=O 2325590093 WCGKASZWSRWYAX-UHFFFAOYSA-N 432.457 4.831 30 10 IJEE CCOc1cc(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)ccc1O 2325610744 OPIONBHSMGXRPE-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE Cc1c(OCC(=O)Nc2sc3c(c2C#N)CCC3)ccc2c1OC(=Cc1ccco1)C2=O 2325744226 HJPXNXWCNSZPEP-UHFFFAOYSA-N 446.484 4.644 30 10 IJEE CSc1nnc(CCCOc2ccccc2)n1N=Cc1cc(Br)ccc1F 2328710437 LJHVELFUNSMEFH-UHFFFAOYSA-N 449.349 4.795 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(OC)c(OC)c1 2328754247 HLNUTUPPTFAAHT-UHFFFAOYSA-N 440.569 4.691 30 10 IJEE CCCOc1c(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SC)cccc1OC 2328767141 WREKDXYTEQWNEB-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Cc1csc2nc(Cl)c(C=NNC(=S)NC(c3ccccc3)c3ccccc3)n12 2330419320 WEHMLLMTBCLYNZ-UHFFFAOYSA-N 439.997 4.945 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(N(CC)CC)cc1 2330881073 LHWRCPNHLRBALL-UHFFFAOYSA-N 445.633 4.640 30 10 IJEE CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 2330946225 ZNYUVVLJHAWNAZ-HXUWFJFHSA-N 438.553 4.711 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 2330961499 FDGUUHFZPAALIJ-LJQANCHMSA-N 428.945 4.966 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1N=Cc1cccc(Cl)c1)NC1CCCCC1 2331212562 RXUSMCSJUGTOGW-UHFFFAOYSA-N 443.960 4.615 30 10 IJEE COCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc2ccccc12 2331260011 BGIXRWWGCMOWGE-UHFFFAOYSA-N 447.520 4.703 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 2331325061 DLJLBTRNWKRMGS-OAQYLSRUSA-N 439.464 4.591 30 10 IJEE CO[C@@](C)(CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)COCc1ccccc1 2339539422 HSJIYWUUMCWWIV-VWLOTQADSA-N 438.377 4.760 30 10 IJEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCN(Cc2ccccc2)CC1 2339586772 KPHCIZTXRUSKIY-UHFFFAOYSA-N 433.405 4.827 30 10 IJEE CC1(C)OB(c2ccc(N[C@@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@H]43)c(C#N)c2)OC1(C)C 2364744796 CKLYJUGMFXMRHJ-KNEWOZPHSA-N 444.384 4.653 30 10 IJEE Cc1cc(CNCc2csc(C)c2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369687649 NPSIMGMZNGYGEI-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(F)c(F)c1 9543270 DNADTCHLZFLAKQ-UHFFFAOYSA-N 444.507 4.669 30 10 IJEE C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C1=O 33314353 ABCPOTKOWAIJJU-PDGQHHTCSA-N 428.307 4.698 30 10 IJEE COc1ccc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)c(OC)c1OC 39862656 RGHWSRJCMOXYCY-LHZXPFKOSA-N 447.516 4.916 30 10 IJEE C=CCc1ccc(OCCn2c(CNC(=O)c3cccs3)nc3ccccc32)c(OC)c1 40197007 RRBJXNBJUZYSDW-UHFFFAOYSA-N 447.560 4.844 30 10 IJEE CCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc1Cl 40522805 IUZOFVDJHBZMTB-UHFFFAOYSA-N 435.307 4.786 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4ccccc4F)CC3)C2=O)cc1 41585419 UNAGNHHVSAMPEU-XYGWBWBKSA-N 444.506 4.778 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2OC)cc1 58642798 DUGOBHBIKUIDCT-QHCPKHFHSA-N 433.552 4.748 30 10 IJEE O=S(=O)(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1ccccc1 59406580 HIJHWJBQLAOTPR-UHFFFAOYSA-N 431.329 4.785 30 10 IJEE COC(=O)c1c(NC(=O)c2oc3c(c2C)/C(=N\O)CC(C)(C)C3)sc2c1CCCC2 101108545 DXSYUPZPJBEHEJ-CFRMEGHHSA-N 430.526 4.718 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 169935911 ZBVMWDFJEAXORA-DEOSSOPVSA-N 449.466 4.831 30 10 IJEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1[N+](=O)[O-] 169940978 NDLZFEUJELKBAG-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccccc2C)c1 170086431 IBPLVQUCOIDSNX-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C)o3)nc2c1 170103638 CLOOZWIKJJQYDR-FQEVSTJZSA-N 431.423 4.695 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1C1CCCC1 170126172 UEZMUUIHSQOGDE-NPMXOYFQSA-N 433.504 4.540 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1 170167143 KLEHYHHIHZWAMW-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccccn1 170169047 SCFSXKVCJKUTMA-OAQYLSRUSA-N 432.451 4.629 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccccn2)cc1C 170174043 QAAPZEOVCXNYRQ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)cc1 170205874 LHVWRYFDMLRDLE-XMMPIXPASA-N 435.483 4.615 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1ccccc1 170227616 DIIZLZXFZCDNGM-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170229028 MBQSKZBJECITJP-QFIPXVFZSA-N 449.409 4.519 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccccc1 170231636 MLNGZSJIBGGFOW-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCOC)cc1 170264889 TWJOJCWVKMVHJQ-IBGZPJMESA-N 434.319 4.781 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccco1 170288748 OOCPEGREALJIPK-FQEVSTJZSA-N 437.835 4.753 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(C)o1 170299863 DKHNNRUOXCWIAD-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(C)o2)c1 170305425 OAVLAABPPUKKEU-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1ccc(C)o1 170308438 YXPKHITZRVQBAP-OAQYLSRUSA-N 441.524 4.509 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(C(=O)OCC(C)C)cc2)c1 170460874 WCKZXWAZCFJCBV-JOCHJYFZSA-N 435.520 4.933 30 10 IJEE CC[C@@H](C)Sc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)[nH]1 253566235 IRTDHRCOLNTGLZ-LGVXEURYSA-N 438.605 4.626 30 10 IJEE O=C(Nc1nc(C/C(O)=N/[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cs1)c1ccco1 328591730 AQJWZKVOISOXJK-DLBZAZTESA-N 447.463 4.766 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 443337847 UPRQBLFTNGFCSF-UHFFFAOYSA-N 445.441 4.882 30 10 IJEE N#Cc1cc(N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)nc2ccc([N+](=O)[O-])cc12 481042367 DBUSCHKGDWBCSA-KRWDZBQOSA-N 436.777 4.832 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OC)c(NC(=O)C2CCCCC2)c1 504345285 KQSDQCZOCNVRAG-UHFFFAOYSA-N 449.551 4.910 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCOC2(CCC2)C1 508466015 RYAYQKSHPBHIAS-UHFFFAOYSA-N 434.515 4.609 30 10 IJEE N#C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CCN1Cc1ccccc1 510170394 XXAPYNOIUYVWLP-OAQYLSRUSA-N 433.458 4.607 30 10 IJEE N#C[C@@H](C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc(O)c2c3c(sc2n1)CCCC3 511711713 IJHNOQVSIGRONY-HNNXBMFYSA-N 432.480 4.696 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)c(OC)c1 526489936 LBZWWVAQKHUKPL-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)cc2)c1 526522952 UIMLJKMJUMAELG-XMMPIXPASA-N 426.472 4.941 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccnc2)cc(Cl)c1OC 526608815 JPLXJCJEWMDHLS-NRFANRHFSA-N 447.878 4.681 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 549291608 KJFQLFOJZIHIFR-UHFFFAOYSA-N 438.435 4.541 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@]2(CCCOC2)C1 549636529 AZFLXCUQGVJLOV-NRFANRHFSA-N 449.368 4.820 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C[C@@H](c2ccsc2)O1 558909739 TXFQURYQOLWFRF-MBSDFSHPSA-N 441.560 4.893 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 558979146 KWIAKWQUWMMNMY-NRFANRHFSA-N 441.664 4.842 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 575165408 JTASNYDTPVKZBU-FQEVSTJZSA-N 425.492 4.750 30 10 IJEE COc1cc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)ccc1OC(C)C 577079379 JVVCBAKBERSTNM-UHFFFAOYSA-N 445.567 4.919 30 10 IJEE CCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2cccc(C#N)c2)cc1 586150066 SKDPOBPIXBRLAP-UHFFFAOYSA-N 438.524 4.530 30 10 IJEE C=CCCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586233532 SDFDJKBUOVLZKQ-UHFFFAOYSA-N 429.542 4.603 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C2CC2)c1 590722407 IDPIUXINIJMXGH-NRFANRHFSA-N 444.984 4.736 30 10 IJEE C#CCCCCC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686823227 APFBYHYAXYFLSY-QHCPKHFHSA-N 427.633 4.847 30 10 IJEE C=CCC[C@@H](C)Nc1cc(I)cc(I)c1 690397389 YFGFEOKSRITPEZ-SECBINFHSA-N 427.067 4.662 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cncc1Br 698383160 YLAYIADBUKIONW-LBPRGKRZSA-N 433.144 4.817 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 698888975 BSZVTAHNMOGSOL-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 745227194 BAEGXQOTLPXSGW-UNEWFSDZSA-N 430.476 4.644 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 750322474 JTWUMQIJIMATRR-UHFFFAOYSA-N 426.542 4.677 30 10 IJEE CN(C(=O)COC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C1(C#N)CCCCC1 764055836 JDHGIAKLFDPTEL-LFIBNONCSA-N 428.838 4.514 30 10 IJEE CC(=NNc1cc(C(F)(F)F)ccc1F)c1cc2c(cc1Br)NC(=O)CO2 767387760 LRTNJYWXQKMLSL-UHFFFAOYSA-N 446.198 4.774 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)cc1OC 779702682 HDDBZNVAGUYLFV-XSSIKURBSA-N 425.529 4.924 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)n1 788548450 OKCOGPKFFKCRCA-UHFFFAOYSA-N 448.592 4.965 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@H]1CCc2c(Cl)cccc21 803237335 DYRGMQZMLKVDLP-AWEZNQCLSA-N 428.819 4.654 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1occc1C(=O)OC 804460044 SHKQGNMUDVNGFZ-LJQANCHMSA-N 433.529 4.723 30 10 IJEE C=CCc1cc(OCC)cc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1O 808240642 BEYUJVAVLLGQNI-KRWDZBQOSA-N 425.451 4.734 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 812689818 PTZVOJFGOWAQOD-GOSISDBHSA-N 436.512 4.571 30 10 IJEE COc1ccc(-c2nc(SCc3coc(-c4ccc(F)cc4)n3)nc(O)c2C#N)cc1 902248075 CVPWQEQOPFLVFP-UHFFFAOYSA-N 434.452 4.816 30 10 IJEE O=C(O)c1ccc(/C=C\C(=O)c2cc(Br)cc(Br)c2O)cc1 1081072545 RQWFUBASIQAWBL-UTCJRWHESA-N 426.060 4.512 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 1127411892 UYNPBUJELBEBAQ-GOSISDBHSA-N 432.402 4.787 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)CC)cc2)C(C)(C)C)cc1 1128143199 AIKFXOVQZWAWEI-UHFFFAOYSA-N 443.609 4.805 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 1128470093 BJJQNNJMCYDWOS-GOSISDBHSA-N 435.293 4.790 30 10 IJEE Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1cccc(C#N)c1Br 1130068011 DMVDXQOSUICUMM-UHFFFAOYSA-N 427.327 4.766 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)c1ccccc1 1135229511 WZVDNGPDCYTMJZ-IBGZPJMESA-N 443.931 4.913 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 1136630065 FRUZQPGWMYPAQB-CVEARBPZSA-N 426.344 4.924 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Oc2ccc(F)cc2)n1 1144992461 KDOOGTIKEIZDTH-FQEVSTJZSA-N 443.519 4.879 30 10 IJEE C=CCCC1(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)CCCC1 1147172140 JACLHGHAJRTAMY-UHFFFAOYSA-N 442.581 4.752 30 10 IJEE C/C(=C\c1ccc(F)cc1)C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1147951792 DUPCRPIQQQSKTJ-PEKVBPLLSA-N 435.339 4.814 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)C(=O)OCC 1158281433 UPFGLPNLAMUXFA-GOSISDBHSA-N 445.972 4.736 30 10 IJEE C=CCn1c(SCC(=O)c2ccccc2OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164417693 BWPROXBXQWGVCV-CQSZACIVSA-N 440.590 4.752 30 10 IJEE COc1ccc2c(c1)CN(C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C1CCCCC1)C2 1167666926 BZPDDAZSRYCICV-SQHAQQRYSA-N 434.580 4.508 30 10 IJEE C=CCN(C(=O)CN(CCO)[C@@H](C)CC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1170860451 IOLWZTARDPXPGR-AWEZNQCLSA-N 442.412 4.729 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1OC 1178209631 ZJZNMEVQDBDJDR-AWEZNQCLSA-N 439.314 4.601 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 1188225604 LETHSXIOAAYDGP-LBPRGKRZSA-N 445.997 4.905 30 10 IJEE O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCc2ccc(C(F)(F)F)cc2C1 1193508106 GCNZJJHYQMCIQD-UHFFFAOYSA-N 427.341 4.610 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)c(Cl)c1 1209886687 DRNQVACJTBCQJG-OAHLLOKOSA-N 432.749 4.732 30 10 IJEE C=CC[C@@H](NC(=O)N[C@@H](C)CCc1ccc(I)cc1)c1ccncc1 1222021439 IFRNMSMRCXXRMX-HNAYVOBHSA-N 449.336 4.624 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccnc1OCC(F)(F)F 1264905784 LUHOROOUOCMRSH-UHFFFAOYSA-N 447.226 4.753 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccccc1 1266421541 OYGLJQGKIVTHSV-QGZVFWFLSA-N 436.249 4.637 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1286355382 MYHUXVRSEIQRCT-PZJWPPBQSA-N 445.007 4.669 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@@H](F)C1 1286400400 FOPIHACILQYCGD-FCHUYYIVSA-N 429.543 4.564 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCOC1CCCC1 1286436834 XKYAQPJDWSLCAJ-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(CC)CCOCC1 1286454498 YNLVNTGJZIFQGM-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCCN(C)CC(F)(F)F 1286519604 YMEWNLQDWXLJBD-NFBKMPQASA-N 447.549 4.696 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1286593133 JGTIFVXOOIBBOB-BQJUDKOJSA-N 443.636 4.984 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCCN2CC)CC1 1286656351 VPCFSYKJSQRDDG-HXUWFJFHSA-N 445.558 4.823 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1286679198 LWKJPPGHBRHVHT-VXKWHMMOSA-N 438.616 4.926 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)c1nccs1)c1ccccc1 1286680225 XHIVEXLXDLIERG-AZUAARDMSA-N 447.612 4.735 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCSC(F)(F)F)C1 1286804280 KFPRPNUTQVXECA-ZDUSSCGKSA-N 432.899 4.633 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(F)(F)F)cc2)C1 1288976742 DEHSRJQNUKCUBL-NRFANRHFSA-N 426.446 4.537 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)C(C)C)c1 1290594476 LFIPLUOJMWCOPW-MBSDFSHPSA-N 428.598 4.792 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](OC)[C@@H](C)CC 1292602301 BHQYEPREZDAXBG-KIVTUJJHSA-N 439.604 4.611 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1300368175 PGVGWRBKCIIAFV-HNNXBMFYSA-N 441.551 4.839 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1300370648 AAOLAGVWIGZIKD-UHFFFAOYSA-N 433.644 4.915 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)c1cccs1 1300545136 LREOWIGTTBKQDG-UHFFFAOYSA-N 432.593 4.586 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1300600925 CARIXQDFRGFVPG-UEXGIBASSA-N 428.964 4.512 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C/C=C/c1ccccc1 1300611604 IPFRJOCDPCOGHA-DHZHZOJOSA-N 427.371 4.942 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nccs1 1300868620 FUBMRHFKIULDFN-QFBILLFUSA-N 429.977 4.673 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC[C@H]1C 1301023288 DEPPHOPKIXKUHY-CYBMUJFWSA-N 427.799 4.710 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](OC)C2CC2)CC1 1301105071 CHRUBKHHAINURP-KKSFZXQISA-N 430.980 4.899 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2c(CC)nn(C)c2CC)CC1 1301113738 DSECIYHNDAUNFD-UHFFFAOYSA-N 439.007 4.908 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(F)(F)CC1)c1ccccc1 1301168449 POKCFUYKLCLZEI-NRFANRHFSA-N 440.542 4.735 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](NC(=O)CC)C1 1301175771 HWJVKIPFUYNWMG-FQEVSTJZSA-N 446.599 4.653 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cc(Br)cs1 1301305731 MQNBVSLJPUQZLM-UHFFFAOYSA-N 447.402 4.566 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC1(COC)CCC1)C1CC1 1301321096 VVNZAEIFYXAKPL-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCCC1 1301351442 SYFHFYRUXPGRMT-FQEVSTJZSA-N 448.590 4.712 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CCOCC2)C1 1301594858 KKFDQPMXQLFWAH-NRFANRHFSA-N 426.630 4.746 30 10 IJEE CC(C)(C)c1nc(CCn2c([C@@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)cs1 1302040976 AOSDIOQZQAOPRQ-IBGZPJMESA-N 442.633 4.646 30 10 IJEE N#Cc1ccc(Br)cc1N1CCC12CCN(C(=O)OCc1ccccc1)CC2 1307215859 GGTAUTZYWUAUGN-UHFFFAOYSA-N 440.341 4.702 30 10 IJEE C=C(C)COCCNCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1308325355 CIKPIVDDKYLPBZ-UHFFFAOYSA-N 426.358 4.984 30 10 IJEE C=CCC[C@@H](NC(=O)NCCC(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cc1 1311646285 UKAKFTTZCCOMOL-LJQANCHMSA-N 425.495 4.851 30 10 IJEE C=CCN(C(=O)[C@H]1CC(c2ccccc2C)=NO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350013400 VOQZQOYVDAHZIE-OAQYLSRUSA-N 448.504 4.739 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cccc(OC)c1)c1ccc2c(c1)OCCO2 1351530825 FDPNPWGCCXFZAG-UHFFFAOYSA-N 445.515 4.807 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN(C)C(C)C 1358872455 UVHJMIGBDSOGRZ-UXHICEINSA-N 446.039 4.877 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1358922055 RUXNLRZUQKWRFZ-PMACEKPBSA-N 434.613 4.859 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(F)(F)F)CC1 1358922168 WASQIHFOFWKPLS-UHFFFAOYSA-N 428.462 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCc1cccc(C)n1 1359072930 WFAMBNYPXMTCHN-HHHXNRCGSA-N 427.596 4.782 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)C1CC1 1359092969 IODCZMCHSKDOBN-KUHUBIRLSA-N 449.368 4.817 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1359145011 BWQQLSZRCXGGEL-UHFFFAOYSA-N 439.991 4.947 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(C)CC2)CC1 1359182346 CNZQPNAJNYSUES-KDURUIRLSA-N 429.609 4.641 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(C)C)C1 1359222236 CMMSQEICRGGOME-MRXNPFEDSA-N 436.398 4.501 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(Cc2cccs2)CC1 1359285258 UFKIFLGZJOJJRF-UHFFFAOYSA-N 434.396 4.822 30 10 IJEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N[C@H](C)[C@@H](OC)c1ccccc1Cl 1359288563 LIHBDJSEEFPYJZ-OPAMFIHVSA-N 436.947 4.544 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)cc1 1359307119 BAKOMGCITRBKCQ-KRWDZBQOSA-N 449.382 4.685 30 10 IJEE C#CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCCC1 1440568711 FQLNYIWAQDSYAP-UHFFFAOYSA-N 440.565 4.717 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC2CCCCC2)C(C)C)nc2cc(Cl)ccc2c1=O 1458726797 CZIWYSFPWOQYES-LJQANCHMSA-N 434.005 4.802 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2Br)C(F)(F)F)cc1 1460043720 VTJQAIXIOPDPFO-OAHLLOKOSA-N 428.160 4.799 30 10 IJEE C#C[C@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1C)c1ccc(Cl)cc1 1460790368 LRVFLEFMEIMJCR-QFIPXVFZSA-N 428.875 4.553 30 10 IJEE C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CSCc1ccc(C#N)cc1 1461429305 AQYFWUINQHSNPJ-YCRPNKLZSA-N 445.382 4.543 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1 1463080620 ZNTKRKLHUISRCZ-NRFANRHFSA-N 436.618 4.557 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 1464826278 COMPBVHDXIDNEE-HXUWFJFHSA-N 444.478 4.789 30 10 IJEE N#Cc1cc(NC(=O)CNC(=O)Cc2cccc3ccccc23)ccc1Oc1ccccc1 1467348341 HQAYIWBSLAOYQM-UHFFFAOYSA-N 435.483 4.801 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1467634405 BKRLQNPYPIKQQY-GOSISDBHSA-N 438.471 4.687 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1468505887 BYFXOPAYPXOAQZ-MGPUTAFESA-N 432.442 4.723 30 10 IJEE C#CC[C@@H](NC(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccccc1 1469449231 JTJXYQNZRLZAGJ-NLFFAJNJSA-N 427.589 4.724 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1)c1ccc(F)c(F)c1 1478471932 ICUSZNNUWMFILD-ISKFKSNPSA-N 426.463 4.792 30 10 IJEE CN(C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1503384313 AVEWRYTWZPFTHQ-QHCPKHFHSA-N 441.023 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN1C1CCCCC1 1507525158 FGZNLYSRQVFOSE-UYAOXDASSA-N 426.008 4.854 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@H](SC)C1 1507571035 OUXYVYDGDHQQHN-NRFANRHFSA-N 426.630 4.999 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507648659 MCDFIJCOAZNBIN-JOCHJYFZSA-N 445.655 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCCC1(F)F 1507668448 DJRBPCFRLYIDQX-FQEVSTJZSA-N 433.506 4.782 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCSCC1 1507815094 QFJPMIRUFWQTFQ-UHFFFAOYSA-N 445.702 4.727 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC(F)(F)Br 1507815364 HQUPAWWBAKRKCR-UHFFFAOYSA-N 435.263 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCC(C)CC1 1507822165 PUWHCZSHRQSEHR-UHFFFAOYSA-N 425.621 4.608 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1507829526 AYGNJUMPWPMNIC-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(OC)CCC2)CC1 1507879271 SFWQWXPEHLHCQL-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1507927295 PITJJHJPFAZGNK-PKOBYXMFSA-N 426.561 4.706 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1507939483 PUZAMHYJZQKYKU-JOCHJYFZSA-N 437.613 4.958 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1CCSC1 1507943526 ZMTZLAMTUGAHQP-CQSZACIVSA-N 437.407 4.624 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C1CC(C(C)(C)C)C1 1508005886 ATVKZKPXCAXABI-UHFFFAOYSA-N 427.618 4.765 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCc1scnc1C 1508008740 SBGDDQCMBVXHGN-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC(C)(C)c1ccccn1 1508025717 QYGMLHYUYHNRBK-UHFFFAOYSA-N 438.579 4.948 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)C1 1508168039 NMDFXWXBQNRMGW-MSOLQXFVSA-N 435.638 4.506 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCC(F)(F)C1 1509946199 GGKPWXBNCJEPSI-MJGOQNOKSA-N 442.514 4.683 30 10 IJEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2CCCCO2)CC1 1510322492 BWZHCWZZEMIKQB-NRFANRHFSA-N 437.588 4.704 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2(C)CCC2)c1 1515261458 PBVIOYASKWYUTC-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1515902161 NIBMQGPQGNKTPA-RTBURBONSA-N 439.364 4.542 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)OCC(C)C)c1ccc2c(c1)OCCO2 1524359131 ZJNDWDNTBXMGFV-IBGZPJMESA-N 425.525 4.617 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(I)c(F)c2)C(F)(F)F)cc1 1525856718 YJICHAPTJKBUDH-OAHLLOKOSA-N 448.153 4.872 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(C4SCCCS4)cc3)CC2)c1 1527039627 AULZPISKIFASIM-UHFFFAOYSA-N 437.634 4.821 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 1528714888 ZMRDBUMYSLSHLT-INIZCTEOSA-N 446.370 4.797 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)c1 1529647273 NZKBNWUGNUCXPO-KRWDZBQOSA-N 443.528 4.765 30 10 IJEE C=CCc1cc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC 1536539161 NDKQVWPPVSMDFE-UHFFFAOYSA-N 431.414 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CC1CCN(Cc2cccs2)CC1 1538995243 KSTQTLPLIOQYPU-SFHVURJKSA-N 437.588 4.516 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086485 GUFDUEXDEQLLQZ-CGXNFDGLSA-N 441.620 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCC[C@H]1C 1539650719 UTOOJXKNXZGCCW-FZOAFFARSA-N 426.605 4.988 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539854455 QYXZLRUHUOMPEH-UHFFFAOYSA-N 427.474 4.682 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N(C)Cc1ncc(Cl)n1C 1539926764 USJATBMHVDCRSV-UHFFFAOYSA-N 426.996 4.689 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)c1cccs1 1540049545 NSHJZKCELHLDJP-RUZDIDTESA-N 447.608 4.944 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCO[C@H]1CCCC[C@H]1C)C1CC1 1540099443 ZJJSDWFWCLXXLT-BEFAXECRSA-N 448.409 4.786 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1C(C)(C)C)C(C)C 1540151632 JUDGWHMLIGVJNZ-GUDVDZBRSA-N 441.586 4.909 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H]2C)C1 1540896454 MEPSFQRFQFDDSQ-HSALFYBXSA-N 442.629 4.797 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCOC2CCCCCC2)c1 1542268788 HHWXZPLHOKENPA-FQEVSTJZSA-N 439.604 4.809 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 1543923819 BCWQTYDHKWNBDQ-SIKLNZKXSA-N 440.588 4.916 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2ccc(O)cc2c1O 1546226401 OCUBPWXTQKCMNE-UHFFFAOYSA-N 430.273 4.981 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 1561186404 WFEIBSRYAPJXIN-UHFFFAOYSA-N 434.819 4.676 30 10 IJEE C#CCOc1ccccc1NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC 1562640704 YDVNJYRMYVQKDA-HXUWFJFHSA-N 433.474 4.922 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1 1562967722 AQOBADULKZUUFP-UHFFFAOYSA-N 425.504 4.823 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1)c1ccccc1 1564396812 QUTKBFZEYFHCJH-UXHICEINSA-N 439.522 4.916 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1 1564734444 KSQNBAWUVKHNGA-RUZDIDTESA-N 445.604 4.724 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 1564913155 HAFOYWXANUTDMH-SFHVURJKSA-N 446.378 4.648 30 10 IJEE C=CC1(CC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)CN(C(=O)OC(C)(C)C)C1 1568907791 BEACJTRDXCAQNJ-FQEVSTJZSA-N 448.991 4.737 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nc(CCC)n(-c3ccccc3F)n2)C(F)(F)F)cc1 1587315407 MVUWSUKBRSWBGY-IBGZPJMESA-N 431.389 4.801 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@H]1CCCCN1C(=O)c1ccco1 1587337857 FTWNJKLKRLHDBE-HXUWFJFHSA-N 430.460 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC1(C)C 1589171984 WIXHJVMJQYTLOA-IVZQSRNASA-N 443.389 4.754 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)C[C@@H]1CC 1589516028 VPAQSZWGSFMPHZ-YWNPBTLJSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CC12CCOCC2 1589625951 PPZWGVPWLQBQQG-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2=CCCOC2)CC1 1594194051 VMOBCZYSGFTJJV-QGZVFWFLSA-N 428.964 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](CC)C1 1594473242 NXHDJXKWMVPUSG-ZWKOTPCHSA-N 428.577 4.568 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 1594590803 APUIFCPMTSCWAL-LJQANCHMSA-N 436.304 4.645 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCc2oncc2C1 1594753142 YEAZXLMGERDUIR-UHFFFAOYSA-N 441.963 4.768 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1CCOc1cccc(C(F)(F)F)n1 1595114983 CKHGQDPEXYYBOO-UHFFFAOYSA-N 443.473 4.841 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(F)F)c1 1595223463 VEFHNHWAQUBRKR-UHFFFAOYSA-N 434.494 4.681 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)C1CCCCC1 1595275769 OEEKDPJACOBJTQ-HSZRJFAPSA-N 432.996 4.569 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1595854440 BRFGQFZUNAFQCU-CRAIPNDOSA-N 427.401 4.786 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1595884853 VLBBMDNBBLFJEL-LEWJYISDSA-N 433.710 4.877 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1598167786 MHDDUVWARYTYNP-YOEHRIQHSA-N 441.534 4.677 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)c1nccs1)OC 1613129988 BAHIBZUWFGKGCM-ZWOKBUDYSA-N 438.601 4.574 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 1617466437 PUDZIYMKXOLSMX-SJLPKXTDSA-N 426.542 4.523 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C)s2)CCCCC1 1619051398 GVRWSFMZHBKSIV-UHFFFAOYSA-N 436.585 4.567 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 1622268858 CYPYABMVLWJBLF-LBPRGKRZSA-N 434.842 4.742 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1623086306 DLAJBWPOYGYKQY-HXUWFJFHSA-N 441.572 4.590 30 10 IJEE C=CCCC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 1625197035 MSJLNGVTODWTSJ-NHCUHLMSSA-N 439.943 4.759 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1 1630113907 FYXKZBBVXDCTEO-LJQANCHMSA-N 439.581 4.852 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(-c4cccc(OCC)c4)n3)n[nH]2)c1C 1634850828 XUSGXSOFHBEHOQ-UHFFFAOYSA-N 442.523 4.789 30 10 IJEE C=C[C@H](C(=O)NCc1cc(Cl)c(I)cc1OC)c1ccccc1 1635343021 PIYPDEFPMQTGDR-AWEZNQCLSA-N 441.696 4.539 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1 1635494599 LDXHWRFTZLPOEE-UHFFFAOYSA-N 444.531 4.628 30 10 IJEE C=CCn1c(SCc2cncc(C(=O)OC)c2)nc2cc(-c3ccccc3)sc2c1=O 1640772184 QCBRYXOAEYSOFG-UHFFFAOYSA-N 449.557 4.785 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 1641303018 UNKILVNVWVIURP-XHDPSFHLSA-N 449.748 4.801 30 10 IJEE C=CCCC1(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)CCCC1 1641357636 VEBKGYOSHNTWBR-HKBOAZHASA-N 434.621 4.824 30 10 IJEE COc1cc(CN[C@@H](C(C)C)[C@H](O)c2ccccc2)ccc1OCc1cccc(C#N)c1 1643025736 FQSNARXHRYVCCN-RRPNLBNLSA-N 430.548 4.994 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 1645257492 FUJIZXDPGXCBOR-NRFANRHFSA-N 426.948 4.985 30 10 IJEE C=CC[C@H]1N(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2)CCCC1(C)C 1645453000 CDOLCCXQEBZZLF-CTNGQTDRSA-N 445.991 4.578 30 10 IJEE C=CCC[C@@H](C(=O)N1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1647927837 KMTPLOJESOZXMC-RBBKRZOGSA-N 442.600 4.753 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)cc1OC 1648369522 OHLNXKYXWVGQMK-ALCCZGGFSA-N 428.891 4.906 30 10 IJEE C=CCn1c(SCc2ccc(CN3CCOCC3)cc2)nnc1-c1ccc(Cl)cc1 1651593850 FSDNLZLWRLSKFM-UHFFFAOYSA-N 441.000 4.909 30 10 IJEE C=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)C(=O)OCC 1652345399 KEWONFMBJPLZBN-UHFFFAOYSA-N 438.530 4.919 30 10 IJEE C=CCC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)CCCC1 1654568707 TVFBQYHRJCMGPW-UHFFFAOYSA-N 447.000 4.685 30 10 IJEE C=CC[C@@H](CO)CNCc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 1657692415 LEOQSAXTRDYCIN-HXUWFJFHSA-N 427.548 4.975 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2cccc(OC(F)(F)F)c2)c1 1657782237 BTFKALCMRFCPSS-SFHVURJKSA-N 433.474 4.969 30 10 IJEE Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1 1659179776 BWODARCMERMAEW-GOSISDBHSA-N 436.581 4.673 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(I)cc1 1660837084 CPBXYZLHSUWJBS-SFHVURJKSA-N 446.288 4.672 30 10 IJEE C=CCC[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1662378801 OKMRTEGQCYJUCK-IBGZPJMESA-N 442.459 4.783 30 10 IJEE COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C1CC1 1668964598 HHDVBBJPJFZECZ-GOSISDBHSA-N 447.413 4.833 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1669152681 MODQBVGEKTWJEV-OAHLLOKOSA-N 426.218 4.804 30 10 IJEE C=CCOCCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1684056139 KTFVQUZHRZQUGW-UHFFFAOYSA-N 432.568 4.890 30 10 IJEE CC(C)c1ccc(C[C@@H]2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)C2)cc1 1687235484 GCZNZJQBMJNLSZ-QFIPXVFZSA-N 430.596 4.925 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC(F)F)cc1 1689951165 NGRMOCZMWURKKJ-OAHLLOKOSA-N 442.535 4.851 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CCC)C1 1690163698 NWPPEGSBPDNTNK-INIZCTEOSA-N 439.412 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(F)c1 1690257415 IHGRVHKXDIVESL-UHFFFAOYSA-N 432.341 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCN1c2ccccc2C[C@H]1C 1690259200 AMVYFWLYLKAYGR-GOSISDBHSA-N 436.991 4.847 30 10 IJEE C=C(C)Cn1c(N(C)Cc2ccc(F)cc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690296907 VSPKWAOVEDBAJF-MAEOIBBWSA-N 447.530 4.540 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1)c1ccccc1 1690325678 FHDOILAGACCZDJ-HSZRJFAPSA-N 449.643 4.857 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CC1CCN(CCC(C)C)CC1)C1CC1 1690542255 ICMHEMALIKTEDI-UHFFFAOYSA-N 425.596 4.997 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2c(C)cccc2C1)C(C)C 1690581689 WUAQPVPUDXMPTD-RUZDIDTESA-N 444.627 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1C(F)(F)C12CCC2 1690583878 ZOZYNRLKXPNRIS-IBGZPJMESA-N 441.526 4.761 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C)(C#N)CC1 1690735811 JHKONUWMXOBWOW-QGZVFWFLSA-N 429.565 4.606 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1csc(CC)n1 1705477806 SCJAOXVMSPXJJV-HOTGVXAUSA-N 444.004 4.791 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1705534703 OXAYKTNBWFQUKL-QGZVFWFLSA-N 429.634 4.612 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H](CC(C)C)N(C)C 1705619174 JFRCBDAFIJYFLK-QFIPXVFZSA-N 437.563 4.602 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OCCCC)CC1 1705769912 JHCBFNVHUQUUDU-UHFFFAOYSA-N 435.547 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705794052 TVMCUHBZMUCBCI-SFHVURJKSA-N 443.642 4.876 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705803376 OQHSFBXUWDPVDQ-OAQYLSRUSA-N 448.615 4.552 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](COCC)C1 1705943785 KNGNAUQEEZPHHW-SFHVURJKSA-N 425.602 4.599 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCCCSC 1722283993 YLVKHVGMXNLZCF-ZDUSSCGKSA-N 427.437 4.760 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCCN1CCCCC1 1722287815 TXZVWLKQSWUADG-OAQYLSRUSA-N 430.600 4.607 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722302325 HKBCMEDCVWRFEB-NPPFBWRTSA-N 445.007 4.810 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722390518 SMAXPQYHMHZMBQ-OALUTQOASA-N 430.474 4.710 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1722479015 DWHUSLMMCOYKKH-RXVVDRJESA-N 428.378 4.859 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1=CCCOC1 1722511892 PNIAJQCPHJVHTF-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2c(CC)noc2C)CC1 1722580959 QJIVILZPYHUGPU-WIYYLYMNSA-N 427.593 4.506 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)s1 1722602881 CVWFXODPESXJCO-HNNXBMFYSA-N 439.423 4.989 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1722622501 OPBBUTICHOEKBW-UHFFFAOYSA-N 435.572 4.778 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccsc1Br)C1CC1 1722646101 ILXYBRIDQXPEOK-UHFFFAOYSA-N 440.370 4.844 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CCSCC(F)(F)F 1722658483 FUUCONZZCDQDIS-QGZVFWFLSA-N 426.508 4.618 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCC(C)CC2)CCOCC1 1731059861 DAGUTNMMHGDKEY-UHFFFAOYSA-N 439.629 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1csc(CC)n1 1740534283 GQHSZWWMCWKIGC-HUUCEWRRSA-N 429.977 4.597 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=C)c1ccccc1 1740558012 BSMOIZJXECETKX-CTNGQTDRSA-N 435.572 4.521 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740574192 FDMWDEOLMJAVAX-NJDAHSKKSA-N 443.636 4.678 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC(F)(F)C1 1740643586 KYMIFHLIDLIJPG-IBGZPJMESA-N 440.538 4.663 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ncc(CC)s1 1740662843 XYDOWYZMTWUWRZ-OAHLLOKOSA-N 429.977 4.598 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1740662888 YPSAAQIZTNNBAF-CODAWKSHSA-N 442.991 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1740771837 NHYWXIGAWNGNBZ-UHFFFAOYSA-N 445.502 4.512 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1740835887 XMFGYVFEGCTASH-UHFFFAOYSA-N 437.588 4.523 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](SCC)C1 1740843926 SWWOHSSVYHPQPS-GOSISDBHSA-N 442.633 4.640 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(OCC2CC2)CC1 1740969613 SYLYEZZFPQYQIC-UHFFFAOYSA-N 438.616 4.875 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CCSC 1744872408 FCEGVJNAMJLIBQ-KNQAVFIVSA-N 440.661 4.659 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)C1 1748468577 AIRBRIWAVGWUDF-JYFHCDHNSA-N 444.583 4.657 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC(C)C)nc1 1748639302 FCOHTPDPRVYRJC-PZJWPPBQSA-N 447.583 4.723 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749022671 FMFLWZABHCAEDY-MRXNPFEDSA-N 447.446 4.946 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC2(CCCC2)C1 1749022849 HUHQXECQXLSRAK-UHFFFAOYSA-N 445.430 4.845 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1749027102 LERGWWYOMWLBRX-FCHUYYIVSA-N 438.641 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCSC(F)(F)F 1749061237 QOOKJPDBTVBMHN-HXUWFJFHSA-N 431.487 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1Cl 1749134519 ZVZSYJCIEUMRGU-OFNKIYASSA-N 437.975 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnc1C(C)(C)C 1749139190 CEONMTBLRUSWHW-PZJWPPBQSA-N 441.576 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnn2ccccc12 1749149227 WQXFQKHDIRMQPT-UHFFFAOYSA-N 436.947 4.706 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(C)(C)C)C1 1749234509 GCMQGMJRFHNZSV-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C)cc2)CC1 1749371066 XOVQNMDZANZLBE-UHFFFAOYSA-N 430.600 4.501 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(OC)C1)c1ccccc1 1749384897 JHRVLDFSTBMVCG-BHDDXSALSA-N 438.616 4.782 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1749403882 NTRHPUHPJXYBDZ-QFIPXVFZSA-N 433.581 4.736 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC2(CCC2)C1 1749461018 MKINMRXWUPSLPM-UHFFFAOYSA-N 449.020 4.576 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H](C)c1nccs1 1749554783 ZNSBTIMPXQTQFP-KRWDZBQOSA-N 436.610 4.778 30 10 IJEE C[C@@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCCC2)CCO1 1752032160 GLJOKQKOHVNQQU-DENIHFKCSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1CCC[C@H](C)C1 1760110771 HANYYWYKYGZPSH-PMACEKPBSA-N 446.599 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccsc1 1760213008 MBAYSCQFLFUTOC-SFHVURJKSA-N 434.634 4.899 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CCC 1760301943 OPFXSALIHDNSSH-LBPRGKRZSA-N 445.203 4.580 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(C)c1C 1760341750 UYKJUUSFDXOEJC-GOSISDBHSA-N 442.995 4.943 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760344416 QOCIXGDSTFLTQR-IBGZPJMESA-N 428.577 4.712 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(Cl)nc1 1760419458 SDJWMJUAWGSUSG-UHFFFAOYSA-N 439.947 4.953 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1760434962 SJSCEOJDZKFNRH-UHFFFAOYSA-N 429.565 4.554 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCNc2ncc(Cl)cc2Cl)C1 1761544493 FRAIOMMXPQNBOF-NRFANRHFSA-N 448.402 4.880 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1CC1(C)C 1761872170 GPELYQYJZNEZBC-WMZOPIPTSA-N 426.996 4.689 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(CC)C1)OC 1762149375 AFVHTTNKHDGMLQ-RCZVLFRGSA-N 439.604 4.663 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)C1 1766781693 FREBQFJSPKRAGM-NHCUHLMSSA-N 439.629 4.622 30 10 IJEE CCOC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1767497571 CXHYWBSQXCXFFO-HXUWFJFHSA-N 435.906 4.529 30 10 IJEE CCOc1ncccc1Cn1c([C@H](C)CC)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1767640605 AWUIEZSPHAJKHL-GOSISDBHSA-N 430.556 4.674 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=S)Nc3cccc(C)c3)cc2)cc1 1772733898 PHNISBMHPBNTIU-VUURIHPKSA-N 445.544 4.943 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862466984 FPFWYEAMKYZIAP-KRWDZBQOSA-N 441.327 4.887 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 1862474951 ZGLUJUPULZXBKY-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(C(C)C)cc2)ccc1F 1862504259 PZHQTYZXQNMMGD-QHCPKHFHSA-N 447.510 4.802 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CC2)c1 1862525557 FGNXCCRYBUPKCV-LJQANCHMSA-N 442.309 4.589 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 1862556555 ZPWXEPKGZPQFDA-XMMPIXPASA-N 442.515 4.618 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C)cc1 1862580825 SOHTZNCVGCHXNH-LJQANCHMSA-N 434.319 4.917 30 10 IJEE CC[C@@](C)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867352465 PZJXZKALCINHBQ-RPLLCQBOSA-N 425.532 4.942 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@H](c1ccccc1)C1CC1 1868681438 DFVVLPRXVMGALQ-JWQCQUIFSA-N 434.555 4.638 30 10 IJEE CC(C)(C)c1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCCC3)cc2)cc1 1870157711 KQJSJIKPGNPKFI-UHFFFAOYSA-N 428.540 4.679 30 10 IJEE CCCCCCCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870833743 QRWANTODHTWZCJ-NRFANRHFSA-N 438.572 4.865 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(OC)cc(OC)c1 1871251266 VSZHGXNZKOEBKP-UHFFFAOYSA-N 447.535 4.728 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 1871353769 WCNBZOMEWQEOET-ZRRZKUONSA-N 437.879 4.743 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OC)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872040306 LPZAWGQPDDKJKO-MBSDFSHPSA-N 444.597 4.542 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872777485 OVJMJDTUDGOSBL-INIZCTEOSA-N 434.908 4.551 30 10 IJEE C=CCn1c(C(=O)NCCC)cc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21 1873591738 PSPMHUPDFXOWIV-UHFFFAOYSA-N 439.563 4.964 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCc3cccnc3)ncnc21 1873609358 XPTBSQWIIFHFSD-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(O)c(OC)c1 1874249997 QPMCFCZQBZQMCC-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874294141 NQBKGJUWZZSXTG-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccc(O)cc2O)cc1 1874389277 LVEYYZCSZPTTBV-VULFUBBASA-N 448.523 4.902 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(F)cc1 1874440256 RBMKSTTZQCMWMW-BUVRLJJBSA-N 433.597 4.629 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccccc2F)cc1C 1874493211 ANSNPTQQOUZSGQ-DHRITJCHSA-N 437.544 4.915 30 10 IJEE CCCCCCOc1c(Br)cc(/C=N/n2cnnc2SC)cc1OC 1874535308 XKVKFXIOPNNJDU-RGVLZGJSSA-N 427.368 4.612 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2Cc2ccc(F)cc2)c1OCc1ccccc1 1874562061 ZRRRWGCIKJZYLI-CVKSISIWSA-N 448.523 4.767 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OC)c2)cc1C 1874696495 YNCDSRSJPNXUOA-ACCUITESSA-N 432.472 4.893 30 10 IJEE C=CCn1c(C(=O)N(CCCC)CCCC)cc2c(NCCCOC(C)C)ncnc21 1875228743 BQLGUOUGQAFFGG-UHFFFAOYSA-N 429.609 4.887 30 10 IJEE N#Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CC2)c1 1891273240 GMFLZUJGBRPNAR-UHFFFAOYSA-N 436.490 4.875 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@](C)(O)c1cccc(NC(=O)OC(C)(C)C)c1 1922074751 QHBPYBJRAZOPHH-WIOPSUGQSA-N 426.557 4.602 30 10 IJEE C#CCN(C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 1962754896 GSGBELRDDRMHAI-SANMLTNESA-N 444.575 4.954 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 1988787861 WEJVAWKFCFSJRS-PMACEKPBSA-N 425.516 4.839 30 10 IJEE C[C@]1(Nc2ccc(Br)cc2C#N)CCCN(C(=O)OCc2ccccc2)C1 1998959731 ZZHNTDVCCRNVJG-NRFANRHFSA-N 428.330 4.924 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]2CCCC[C@H]21 2009371090 OFUIEIQCJDVJCX-MDOVXXIYSA-N 447.498 4.858 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@]1(C#N)CCN(Cc2ccccc2)CC12CCC2 2037435410 DEBCGWLWKWELAB-ATIYNZHBSA-N 439.600 4.741 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048649949 OMPWEBQAUKZHSI-IRXDYDNUSA-N 429.786 4.587 30 10 IJEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080105374 LTKSCTGAJLAYBB-INIZCTEOSA-N 442.260 4.706 30 10 IJEE COc1c2c(nc3c(-c4cc(F)cc(C(F)(F)F)c4)c(C(F)(F)F)nn13)CCOC2 2081473707 WRHILUMMTJDHPB-UHFFFAOYSA-N 435.299 4.654 30 10 IJEE Cc1ccc(CN2CCN(Cc3ccccc3)C3(CCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2153340918 KCFILDAMCUFRNN-UHFFFAOYSA-N 446.444 4.535 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(F)c1Br)NCCC 2159127664 IXFJHBKOHRHIHI-QZTJIDSGSA-N 441.385 4.806 30 10 IJEE C[C@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1c1cc(Br)c(C#N)cc1F 2174809542 BCIHCSWNCQKJLU-KBPBESRZSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)CCC1(F)F 2174813323 UQLVZTUEUQASBC-OAHLLOKOSA-N 448.283 4.589 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1CC=CCN1C(=O)OC(C)(C)C 2235716980 AGICXFXEHLEVLW-VQTJNVASSA-N 433.390 4.734 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1CC2(CCN2C(=O)OC(C)(C)C)C1 2235747057 NAUBTURXOIYFAT-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C 2235750471 VYZYJIVTMVHVRN-KPLVRAHFSA-N 435.406 4.862 30 10 IJEE C=CCCC1(C(=O)Nc2cc(F)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266310337 OCWXUCJDIVASCO-UHFFFAOYSA-N 427.314 4.730 30 10 IJEE N[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 2268342202 FZEMDIXWWBSFRB-XZOQPEGZSA-N 449.348 4.796 30 10 IJEE CN[C@H](C#Cc1ccccc1F)c1ccc(Br)cc1I 2281379290 VUODFSTUCPZSGQ-MRXNPFEDSA-N 444.085 4.505 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2296222146 PFQFWLHNWYIVKV-OALUTQOASA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2296266434 INFAUTOHAAKEDL-OALUTQOASA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccc(Br)cc2)CC12CCCCC2 2296270729 AUMLRUDFCFJTOV-QFIPXVFZSA-N 434.374 4.875 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2296298280 IOAWXKLTOMAKOJ-FFZOFVMBSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CC[C@H](C)C1 2296298743 NHITXYRHDMFMRG-DKZVUGQWSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2296303284 UFKGJTAZCZSEDV-UXHICEINSA-N 431.374 4.558 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1 2296868098 UTCCPLOMPJOFMU-UHFFFAOYSA-N 434.831 4.962 30 10 IJEE Cc1cc(CSCCCN(C)C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2303722983 CWPGSOCEOFZDQC-UHFFFAOYSA-N 435.439 4.784 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2305317327 ULZWMXXCDPEDHW-STWLZBDKSA-N 428.573 4.698 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)cc1 2318571521 MJQQAYWKQMAULQ-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccccc1Cl 2321059054 IPPPFXHDAWPIJZ-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2ccc(F)cc2)cc1 2321244539 NGSOPNXPADVTRG-UHFFFAOYSA-N 441.532 4.599 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2CCc2cccs2)cc1OC 2321988210 BUSBLDBTBRTPAD-UHFFFAOYSA-N 430.599 4.873 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(Cc2ccc4c(c2)OCO4)CO3)C1=O 2322099099 AJLOAWGEFZSXCA-UHFFFAOYSA-N 433.485 4.754 30 10 IJEE CCOc1cc(C=NNc2nc(O)nnc2C(C)(C)C)ccc1OCc1ccc(C)cc1 2323301575 MQDDKWFXZHPYHY-UHFFFAOYSA-N 435.528 4.607 30 10 IJEE O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2323433469 NATOKDPMBVWQBC-UHFFFAOYSA-N 431.375 4.969 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323890190 RXTQRZUJIHLRAE-RUZDIDTESA-N 432.605 4.869 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325549742 VLDWLRZVTLDELL-UHFFFAOYSA-N 435.863 4.988 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(Cl)cc1 2326192449 BWKPVBSXCVJNTR-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2N=Cc2ccco2)o1 2330264173 GTMYUKZMAZSMDS-UHFFFAOYSA-N 428.514 4.548 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2330705405 YLKJUHWVKHFSTI-UHFFFAOYSA-N 448.470 4.891 30 10 IJEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cccc(Br)c2)cc1OC 2330993420 IZTOGBYPZZHFIQ-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)c1 2331019594 BXBDANOIJLEOBB-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccco2)cc1 2331169185 GNURZQRDUVEFIW-UHFFFAOYSA-N 431.521 4.714 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 2331229752 CDHFGWOULRDCLS-OAQYLSRUSA-N 439.464 4.591 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(OCC)cc1 2331640407 AGTWKDLFDOCRRC-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE C=CCN(C[C@H](NCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2337141878 JAEGRESOZXEINV-SFHVURJKSA-N 427.383 4.669 30 10 IJEE CC[C@H](NCC(C)(C)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338519794 SGWPOHLIONHPDI-FQEVSTJZSA-N 446.441 4.577 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339574419 HSOMTCNHUAZMDZ-HHNLSAEISA-N 444.381 4.893 30 10 IJEE Cc1cc(OCc2ccc(I)c(Br)c2)ccc1C#N 2349809714 DLKRVNMISKYNIB-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc2ccccc2c1=O 23349375 DTAAPLIKBHBZNJ-HOTGVXAUSA-N 433.533 4.687 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1 33408511 RTVBEGOGWFVXCW-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE CCOc1ccccc1/C=C1/Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C1=O 33812282 XWDSFPFLQVRXMT-LPYMAVHISA-N 431.400 4.829 30 10 IJEE N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)c4c(F)cccc4F)c3)C2=O)cc1 34735458 IQXKFLKVWIEIMO-UHFFFAOYSA-N 446.457 4.921 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc([N+](=O)[O-])c1 59789205 QGHYSKZTXNPCSB-UHFFFAOYSA-N 443.916 4.814 30 10 IJEE CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)Nc3cccc(C#N)c3)c2C1 65000924 OPQIUGCMZPTGSD-UHFFFAOYSA-N 445.906 4.770 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)cc1 109983212 SFJMQNGZALDJSR-UHFFFAOYSA-N 444.520 4.556 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)cc1C 170166350 WXMBMXHECCZSHW-NRFANRHFSA-N 443.565 4.849 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccccn1 170170368 RCKFYATUPAFMFH-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccn1 170170381 KBSQZQYXJKQJMG-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2cccnc2)cc1 170187808 NYWMGGMSFFJYIB-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1 170188556 GQHGWJMISJBIEL-NRFANRHFSA-N 434.879 4.917 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170193663 PYTNKVOEQKZLTG-OAQYLSRUSA-N 445.862 4.655 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCOC(C)C 170277940 BNASPQHKLLVYBB-QHCPKHFHSA-N 432.520 4.870 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccs2)c1OC 170412118 ALJSPGCNZCNNOI-GOSISDBHSA-N 441.530 4.605 30 10 IJEE COc1cc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccc(C)cc2)cc(OC)c1OC 170436724 AOXGSJYWHRAQIO-JOCHJYFZSA-N 439.508 4.536 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 444398970 VTNSOBQROVURRN-LJQANCHMSA-N 443.551 4.878 30 10 IJEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccc(C)c(C)c1 460556258 SMTCOHQKFFDNST-FQEVSTJZSA-N 435.597 4.804 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 460564023 VOQSLGLBHMZZGG-HXUWFJFHSA-N 439.567 4.596 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)o2)cc1 505500395 JAIBEQAZKVDMCP-KRWDZBQOSA-N 430.291 4.971 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2OC)c(OC)c1 526490393 NPXFRQYBTYVRMX-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cc(OC)ccc2OC)c1 526605899 GFYFFCMUYGPIAC-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 526828379 HJIBVUPJHRCROR-HMAPJEAMSA-N 425.514 4.848 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)o2)cc1 531353490 RZYPTJXFSDBGGT-SFHVURJKSA-N 445.397 4.562 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)cc1 558927614 NWYJUGTVDBOKKD-FQEVSTJZSA-N 445.567 4.995 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(Cc1ccccc1)CC1CCOCC1 566825019 ZPKCBZDWMYMKKZ-XMMPIXPASA-N 430.552 4.574 30 10 IJEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1c1ccc(C)c(C)c1 581100605 QTIZUXFMLZLADO-QHCPKHFHSA-N 443.599 4.596 30 10 IJEE N#Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccc(C(F)(F)F)cc4)o3)C2)cc1 585191975 XKUGOTMAIZIDAU-QGZVFWFLSA-N 426.398 4.647 30 10 IJEE CC(C)c1ccc(OCC[S@](=O)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 586352512 UYOOXGZWERXBMN-JTBPQFFMSA-N 444.622 4.634 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670202170 ZZFCMJFCWNMHNU-JOCHJYFZSA-N 434.588 4.650 30 10 IJEE O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc2c(C(F)(F)F)cc(O)nc2o1 680240296 VPMNCWFCYXLABK-CYBMUJFWSA-N 440.246 4.864 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698859503 HFPXARUOTBDDPS-GLDPYIMESA-N 431.577 4.709 30 10 IJEE N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727628732 XKDFPVMCMOFTJR-HNNXBMFYSA-N 438.940 4.514 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(OC)c(Br)s1 759207655 VKIWINRHYMYHKB-ZDUSSCGKSA-N 435.343 4.605 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nn(CN2CC[C@H](c3ccccn3)C2)c1=S 799158366 JVJMPBUHYVPQNE-KRWDZBQOSA-N 441.988 4.674 30 10 IJEE C=CCn1c(SC[C@H](O)c2ccc(F)cn2)nc2cc(-c3ccccc3)sc2c1=O 799608616 PHFNUILTGRSQEO-SFHVURJKSA-N 439.537 4.671 30 10 IJEE COc1ccc(COC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1OC 805861111 GJWNVKDWIFWXFZ-UHFFFAOYSA-N 428.916 4.579 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)c1ccc(F)cc1 812917210 PPPUTJUCWOHERD-LJQANCHMSA-N 447.466 4.591 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1c(Cl)cccc1Cl 1084518446 KHZZIVHMLBAHGS-MPJFWOGISA-N 447.351 4.953 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(-c2cccc(Cl)c2)nn1 1125672598 OGZMLBXDJIYGIU-UHFFFAOYSA-N 449.711 4.651 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CCCN1C(=O)OC(C)(C)C 1135990313 GTHWNJWEDBEQAC-SANMLTNESA-N 435.568 4.667 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCCN1C(=O)OC(C)(C)C 1136247574 BOQFMWXEGITXMF-RUZDIDTESA-N 445.604 4.692 30 10 IJEE C=CC[C@@H](NC(=O)Cc1sc(-c2cccs2)nc1-c1ccccc1)C(=O)OCC 1138147516 PIWZPXVBLHJJQP-MRXNPFEDSA-N 426.563 4.705 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 1138208531 WCAUAHAJMPYEKC-JOCHJYFZSA-N 425.960 4.702 30 10 IJEE C[C@H](CC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1157523421 AMBKHSLUILWGTM-LJQANCHMSA-N 439.600 4.938 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)nnc1-c1cccc(Cl)c1 1165888538 CZEGYJHACZHRMJ-CQSZACIVSA-N 441.944 4.613 30 10 IJEE C#CCONC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C 1166328264 MPWGDGJSEUOJQV-UHFFFAOYSA-N 426.472 4.651 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1CC(=O)OC(C)(C)C 1171734271 DKXNMNUYKQHQCW-ZWKOTPCHSA-N 431.602 4.606 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)cc1 1185431832 MDYIOGFGSJKANP-NHCUHLMSSA-N 426.626 4.762 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(CCN(Cc3ccccc3)C2)CC1 1192990581 RGLJJGFSTUJHEU-QFIPXVFZSA-N 437.653 4.639 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(C(F)(F)F)cc1 1211147470 GMVVAROTRXQIFX-GOSISDBHSA-N 441.471 4.853 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC)C(C)(C)C 1214212386 NQODKIBVIABVIS-JOCHJYFZSA-N 437.540 4.906 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 1214710168 USQCHBDCXFTQFB-UHFFFAOYSA-N 434.423 4.789 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 1220476969 CISXIKXPXHQEMD-GCJKJVERSA-N 431.536 4.514 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccc(F)c(F)c1 1234554918 GLNRZVGVVXJPLS-IKVWTGGYSA-N 449.542 4.917 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 1264834319 YJTIVJAQTPNHAB-PSVMIJIFSA-N 447.966 4.821 30 10 IJEE C[C@H](Oc1cccc(Br)c1)C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 1276370885 FLYDSMKAMGNNAT-INIZCTEOSA-N 436.309 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1csc(CCc2ccccc2)n1 1286419860 GZDXGLFOBUWXQV-FQEVSTJZSA-N 431.609 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccccc1CN1CCCCC1 1286429696 HNHCPSYXXQCNRT-UHFFFAOYSA-N 443.639 4.508 30 10 IJEE C=C1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)(C)C(C)C)CC1 1286644922 NPSUKOJEYCGDHJ-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC[C@H]2CCOC2)CC1 1286651748 KGSJERVFPACSEW-FPOVZHCZSA-N 440.588 4.646 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286692303 DFUWEDCDVMPZMN-GOSISDBHSA-N 429.996 4.700 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCN1C1CCCCC1 1286717868 NVHIODKZGNSGKJ-HXUWFJFHSA-N 445.558 4.966 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1286771687 HXGHQAFMXPTWKP-HNNXBMFYSA-N 449.958 4.617 30 10 IJEE C#CCN(CC(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCCC1)C(=O)OC(C)(C)C 1295363093 QAMYKOLOXQYELK-UHFFFAOYSA-N 426.601 4.782 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SC(F)(F)F)nc1 1299196060 QYGUMUOYGRIROT-LLVKDONJSA-N 425.860 4.668 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1300318134 YWSMLFMDKJVYPD-ACRUOGEOSA-N 446.643 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1300545831 XIMFQOMOOXDZTB-SFTDATJTSA-N 428.502 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1300565504 QIIFEBKVUOALFB-ZEQRLZLVSA-N 432.612 4.812 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1300741511 YNHROPOQZYHOKF-VGOFRKELSA-N 444.004 4.568 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(Cc1ccco1)C(C)C 1300888557 KSURJJBROSQAMU-GBXCKJPGSA-N 438.547 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 1300891374 KJNHAPRTMRUJKM-VWNXMTODSA-N 443.680 4.550 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1300909439 TYCUUYCZTPYACU-SFHVURJKSA-N 434.441 4.759 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1301129620 YAWNHTDAJNQGGR-QFIPXVFZSA-N 427.662 4.843 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1301176249 UHQJEBDOPQEXOL-UGKGYDQZSA-N 444.023 4.502 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1301246626 VCJROXHRGLXOKV-GOSISDBHSA-N 448.970 4.583 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(C(C)(F)F)c1 1301270135 CKCPWMMGLQVKQP-UHFFFAOYSA-N 436.304 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOCC1CCOCC1 1301278466 MMYUBTSISPDYIT-SFHVURJKSA-N 444.645 4.587 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1ccc(C)cc1 1301354750 IKWXGTCBPFEPPJ-IBGZPJMESA-N 437.613 4.783 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)c1cccs1 1301373539 XXGWAKNYVZXLHT-VWLOTQADSA-N 445.592 4.949 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)c(OC)c1 1301410629 IUKCZZSAABTURM-UHFFFAOYSA-N 443.551 4.842 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1OCCC1(C)C 1301414610 GNNWQXDSEFVWGA-UTKZUKDTSA-N 444.645 4.585 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(SC(F)(F)F)c1 1303777086 KCLFMJPRLWTYIO-XJKSGUPXSA-N 430.492 4.782 30 10 IJEE CC(=O)c1cc(F)c(O)c(NC(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)c1 1303885952 LCGLNTYVULMEPT-UHFFFAOYSA-N 425.256 4.904 30 10 IJEE Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C(C)C)C2)n1 1304481517 DPVADTCADSSUEZ-HSZRJFAPSA-N 446.624 4.731 30 10 IJEE C#CC[C@@H](Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 1307073076 PMRCDXNBXPQVRW-JOCHJYFZSA-N 449.532 4.987 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CCCC3 1307261114 LUSSKVJZZUPVLH-HNNXBMFYSA-N 439.606 4.951 30 10 IJEE C[C@H]1[C@H](C)CCC[C@H]1N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 1307441374 DSVZTXNZLIAFBA-SELNLUPBSA-N 433.552 4.942 30 10 IJEE N#Cc1ccc(F)c(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 1310849342 AAOVCUHBXUQZPT-XUZZJYLKSA-N 432.474 4.626 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nnc(-c2ccccc2)s1 1310862306 HBWYIPHYFNENNS-UHFFFAOYSA-N 445.342 4.854 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCCSC[C@@H]1c1ccccc1OC)C(C)C 1311388705 QNXYJZUJSDYICI-FCHUYYIVSA-N 431.646 4.583 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc(Br)cc1 1312371693 IAYJIUHBRWXQGM-MSOLQXFVSA-N 433.733 4.990 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 1313098536 VXXRYLOJKPTZBP-PMACEKPBSA-N 449.776 4.872 30 10 IJEE COC(C)(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1315137180 FOWVKOSXCSOKMA-VWLOTQADSA-N 439.604 4.844 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 1349911210 OIKAWZWYTIDEKR-MRXNPFEDSA-N 441.405 4.785 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)c(OCC(F)(F)F)c1 1351370081 DGLYCXBAXWLEMM-UHFFFAOYSA-N 443.219 4.588 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 1353117073 DESBWKYEIJHNFV-UHFFFAOYSA-N 446.572 4.657 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)c1 1354647216 UCBXFMCZYNUSJG-WOVHNISZSA-N 434.967 4.767 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c(C(=O)OCC)c1C 1357816769 JKQZFLZKNPHKQZ-DLBZAZTESA-N 427.522 4.627 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCOCC(F)F 1358987082 RGFBCDCXCFQGSK-UHFFFAOYSA-N 448.926 4.558 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1CCC[C@H](C)C1 1359062143 XHOWIZRXZWYILT-OALUTQOASA-N 444.670 4.960 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C1CCCCC1)N(C)C 1359115213 OSFDGZQWXHGWFR-NRFANRHFSA-N 430.666 4.547 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1359134155 MCEOBGCMZOCLKY-RNHFSVANSA-N 430.637 4.633 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2c(C)noc2C)CC1 1359176403 XIZQYQKKXJZWIS-UHFFFAOYSA-N 429.927 4.988 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](N2CCCC2)C1 1359211042 QFVPSEPWFBPCTE-IBGZPJMESA-N 429.996 4.638 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1359218913 ZOWNVNOTHROWTM-UHFFFAOYSA-N 426.580 4.690 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@]1(C)CCCS1 1359256562 JOUMOTKUGLABFO-RUZDIDTESA-N 444.608 4.614 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)nc1 1359260706 MBPUCLCCVKZVRE-UHFFFAOYSA-N 436.579 4.708 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccco2)cc1 1359308023 AZGUFQUHMVXDCI-IBGZPJMESA-N 429.524 4.667 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2cccc(F)c2)CC1 1359477723 DTBQWDPVSOUVJB-IOMROCGXSA-N 439.579 4.663 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)cc1 1436088106 LWVQNMXDHWTABE-NRFANRHFSA-N 442.353 4.591 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCOc1ccccc1C(C)(C)C 1448620381 MXJFPTDAKNPFQG-UHFFFAOYSA-N 433.552 4.886 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1)c1ccc(Cl)cc1F 1449318765 OOLUDWNZODHVTG-MRXNPFEDSA-N 437.780 4.872 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)cc2)c1 1456185657 BGHIKEVLGQZHTA-UHFFFAOYSA-N 442.450 4.607 30 10 IJEE CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 1458664498 GEESKCIRVKLZRS-AREMUKBSSA-N 439.559 4.874 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)nnc1-c1ccc(Cl)cc1 1458673756 UZNHDMPBOZOROE-MSOLQXFVSA-N 449.020 4.585 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)cc1 1460468582 CRVWQKCGLKVDEQ-QGZVFWFLSA-N 444.622 4.746 30 10 IJEE N#Cc1ccc(F)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1 1460786275 FTIRQDSNEIQCFX-UHFFFAOYSA-N 447.470 4.815 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)c2ccc(C(C)C)cc2)cc1 1465259147 NAEDQTSTINRRJH-UHFFFAOYSA-N 429.586 4.673 30 10 IJEE C#CCC1(NC(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)CCCCC1 1466525618 BPUSNHPWWKMERQ-UHFFFAOYSA-N 429.536 4.967 30 10 IJEE CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(C#N)c(F)cc1F 1467184923 FVEQMWCGNVWGHS-UHFFFAOYSA-N 437.446 4.958 30 10 IJEE C#C[C@H](NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1467935028 HYRDGMZSVZJTQC-FTRWYGJKSA-N 436.955 4.943 30 10 IJEE C=CC[C@H](CO)CNC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1468519239 WSJJRPXMWOYCHP-ZDUSSCGKSA-N 444.400 4.760 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 1469392441 GDXPSQRJKUTCQF-UHFFFAOYSA-N 433.593 4.980 30 10 IJEE C#CCN(CC(=O)Nc1ccc(SC)cc1)[C@H]1CCOc2ccc(Br)cc21 1473168776 RNYSTWPCCQQTAW-IBGZPJMESA-N 445.382 4.569 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CCOc1ccccc1C(C)(C)C 1473430369 BVXMVUWTCXBTGO-IBGZPJMESA-N 425.548 4.769 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)OCC)c3)c2)c1 1476697558 ZXCAMIIHGFDDLL-UHFFFAOYSA-N 441.487 4.765 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1 1477465401 WCFLREFYQAIVLC-YVEFUNNKSA-N 436.147 4.946 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1479129178 RMAFNGXENLKBGV-FNLKRUPLSA-N 431.552 4.701 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCC=CO2)c1 1505313644 CAQLWFMOLOJVOU-IBGZPJMESA-N 431.462 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cc(Br)cs1 1507528399 MLZYNDHRXMHICU-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1507577091 ODXYWTWGMMVDIS-FQEVSTJZSA-N 428.895 4.630 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1507594499 QCZJCGGLULCTKN-OFNKIYASSA-N 434.609 4.895 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)c1ncc(C)s1 1507648038 HPKTUFIKTIPVGK-SFHVURJKSA-N 431.609 4.884 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCc1sccc1C 1507681433 XWLMAYCOECRKBW-UHFFFAOYSA-N 447.377 4.919 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCO1 1507764304 MSTZYUGVFCIYCC-MGPUTAFESA-N 449.780 4.532 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(CCOC)CC(C)C 1507798299 VDZSRUSUNPKBSO-XUZZJYLKSA-N 449.599 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)Oc1ccc(C)cc1 1507826114 GEXROASHBLWXTM-OAQYLSRUSA-N 444.583 4.695 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cc(C)no2)CC1 1507896390 DSRBHDYUEWKFBB-UHFFFAOYSA-N 442.361 4.763 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(Cc3ccccc3OC)CC2)nnc1C(C)(C)C 1507919345 DBVCOLCWDQJVFM-UHFFFAOYSA-N 425.621 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(c3ccc(C(C)=O)cc3F)CC2)nnc1C(C)(C)C 1507921100 QFHUHKXEXCNFPJ-UHFFFAOYSA-N 441.595 4.846 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1507940296 YRVFHDCLJYOSKT-GCJKJVERSA-N 437.613 4.957 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCOC(C)(C)C 1509093560 AEUVOFYCJYAMCC-FCHUYYIVSA-N 439.604 4.519 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1513636793 CYUOXZYWXQJHBT-IEBWSBKVSA-N 443.979 4.607 30 10 IJEE C#CCSCC(=O)Nc1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Cl 1514937143 JJJQETWDKNQPAA-UHFFFAOYSA-N 434.746 4.951 30 10 IJEE C=CCN(C(=O)c1cccc2[nH]ccc12)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1523781514 GPKNOSYPSUDAJY-UHFFFAOYSA-N 437.546 4.528 30 10 IJEE CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cc(C#N)ccc2C)sc1C 1524791597 DBCYBYXMFLLOAX-UHFFFAOYSA-N 433.533 4.698 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nnn(-c2ccccc2Cl)c1C 1524983547 OOXPNKXZWRTOMG-UHFFFAOYSA-N 447.720 4.809 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1 1529136179 MVHKQBRESLEPDM-RCCFBDPRSA-N 447.000 4.838 30 10 IJEE C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc(Br)c(C#N)n1 1529520339 GYAAOSCYQRTVDH-CYBMUJFWSA-N 437.297 4.512 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1529841211 ISEKHLCQVIMCMK-QYXIYQDXSA-N 428.573 4.629 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC23CC3)c1 1531355651 HZTVRKXEBRCJQU-NRFANRHFSA-N 444.984 4.784 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1535140363 OPOWGKLOXAUDIK-OAQYLSRUSA-N 431.330 4.668 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1537697705 SUQLYVJTSOJJQF-TZIWHRDSSA-N 448.579 4.974 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccnc(SCC)c1 1539196827 ZDIPPXKEPUPGKZ-UHFFFAOYSA-N 444.029 4.849 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539497549 LABKHBJYJDDNEL-JOCHJYFZSA-N 433.021 4.606 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC=C(C)C1 1539504222 BQWXAVQXYXEZCU-UHFFFAOYSA-N 434.565 4.640 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1539595520 CQVUPDWYXBEEOK-RTBURBONSA-N 431.378 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)s1 1539633568 ZMIVUPDUTQMYRQ-SUMDDJOVSA-N 437.009 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn2ccc(C)cc2n1 1539671889 PJXXABBNQFZXFJ-UHFFFAOYSA-N 434.975 4.929 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1Cc2ccoc2CC(C)(C)C1 1539750219 IJYOJSMQWULKGQ-UHFFFAOYSA-N 434.584 4.952 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1539874373 MAWFRCOUEIKUAU-KNQAVFIVSA-N 443.611 4.936 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(Cl)cc2C1 1539926498 OHZVVNNKMIBSAK-UHFFFAOYSA-N 439.007 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCN(CCC)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1539931887 RWVMLOZTVMDHKT-UHFFFAOYSA-N 449.643 4.799 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1539997720 SIAJDUJBCLGDJI-LJQANCHMSA-N 442.361 4.580 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1541875891 HTAPUACPBCJVPH-IBGZPJMESA-N 434.613 4.637 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1544453977 BMESCUJTTIPGHK-PXNSSMCTSA-N 431.964 4.910 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3c(O)c(Cl)cc(Cl)c3Cl)n[nH]2)c1C 1546096972 ZJMFAYJTNOJDLG-UHFFFAOYSA-N 440.718 4.994 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1546626422 ANEQTBXAFDMDAG-TZIWHRDSSA-N 444.583 4.726 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C)c1ccc(F)cc1 1556730219 INYLTXBHYZRMDR-GOSISDBHSA-N 428.389 4.791 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 1562423759 UIQCFHZDARVNKN-RHSMWYFYSA-N 425.476 4.855 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1563472723 ZXKZHOLTRMQPGU-GOSISDBHSA-N 425.495 4.661 30 10 IJEE C=CCC[C@@H](NC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12)C(=O)OCC 1569184037 IJORLHNGAKLQLE-GOSISDBHSA-N 445.357 4.811 30 10 IJEE C=C(C)CONC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1583439192 NOOIJFYOSHQLJL-UHFFFAOYSA-N 433.352 4.636 30 10 IJEE CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1586933438 AOXCBZPYFJPBPC-XKCSPQBFSA-N 435.955 4.749 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 1587563818 GOTYHDBEDJYPTH-UHFFFAOYSA-N 437.455 4.941 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1587817721 DTQGKYRNRVFFBM-RTBURBONSA-N 444.526 4.603 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CC(F)(F)C1 1588452100 MMMNQBFYAUBLOW-UHFFFAOYSA-N 429.298 4.669 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1588974816 BZDCONDAZKSIIK-SFHVURJKSA-N 439.412 4.653 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1c(C)noc1C 1589007329 LNHWCKSNWGGIDQ-UHFFFAOYSA-N 437.613 4.850 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1594035154 FKAPOXJAIKNCPI-XXBNENTESA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccncc2)CC1 1594128316 PNFLTAFPESFBHH-UHFFFAOYSA-N 431.584 4.949 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1594455513 QWADCVXSAVRBOI-GYPIEGGISA-N 442.579 4.757 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CC=CCC1)c1ccccc1 1594534914 OVBNQIAHLJMITK-GGAORHGYSA-N 433.600 4.667 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)C 1595083317 AYKYAUZSHFKYEA-UHFFFAOYSA-N 437.345 4.676 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1595222748 JGFSWGQNUIXEKN-NHCUHLMSSA-N 439.623 4.943 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1N1CCCC1 1595878828 RMTOJSNTQYNARH-JOCHJYFZSA-N 441.645 4.676 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS[C@H](C(C)C)C1 1595896042 UCKISBSBWNMYNJ-NRFANRHFSA-N 441.670 4.778 30 10 IJEE C[C@]1(c2cccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)c2)COC(=O)N1 1598417185 GGHDSPPONZSTMY-XMMPIXPASA-N 431.423 4.697 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCC[C@@H]3c3ccccc3)ccc2c1=O 1611322363 YKSMEOMFKQIZFS-VQTJNVASSA-N 433.577 4.575 30 10 IJEE CSC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1620252874 AWWKYPMXFMYZNK-HXUWFJFHSA-N 432.597 4.521 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccc(Cl)cc1F 1622121694 RBXZHLOFCHBKJU-AWEZNQCLSA-N 426.218 4.804 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Br)cc1 1622180033 HGKNQYRJATWVLN-JOCHJYFZSA-N 438.346 4.673 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)OC)c(Br)cc1C 1624601890 PJIMHEFPKWLGLK-UHFFFAOYSA-N 431.330 4.807 30 10 IJEE C#CC[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1630870335 ZVSBXMMZTNVQCM-AREMUKBSSA-N 438.527 4.796 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(Br)cc(C(C)(C)C)c1O 1631645174 ZFLOTWBKEJVEOS-UHFFFAOYSA-N 446.345 4.613 30 10 IJEE C=CCN(C(=O)Cc1nc(C2CCCCC2)cs1)[C@@H](Cc1ccccc1)C(=O)OCC 1634104565 ZTWMLAXIUHHPMJ-QFIPXVFZSA-N 440.609 4.922 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 1634121826 ARDIXHXUDMLCPD-PXNSSMCTSA-N 435.540 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccnc1SCc1ccc(Br)cc1 1635310233 DXIWCARGKHFOMY-APWZRJJASA-N 447.398 4.847 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N=[S@@](=O)(CC)c1cccc(Cl)c1 1637323502 WTLKJBMKTYTWOJ-GDLZYMKVSA-N 429.929 4.778 30 10 IJEE C=CCOc1ccc(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)cc1OC 1637962047 GVCHUNGEZXLJAK-UHFFFAOYSA-N 444.837 4.526 30 10 IJEE C#CCN(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(C)CC1 1638461861 WCJSLYANTBOIKL-UHFFFAOYSA-N 430.548 4.566 30 10 IJEE C=CCC1(O)CCN(C(=O)c2ccc(COc3ccccc3Br)cc2)CC1 1645772069 NVOFLMHRPPNJNX-UHFFFAOYSA-N 430.342 4.571 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCN(C(C)C)CC3)c2C#N)C1 1652434593 DMIOSVKIBUJXSA-GOSISDBHSA-N 430.662 4.515 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@H]3C3CCOCC3)c2C#N)C1 1653923876 CCXTZTYZCKGUCZ-RXVVDRJESA-N 443.657 4.990 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)c1 1658984624 YZLDFFVVQJJEOH-NRFANRHFSA-N 433.346 4.519 30 10 IJEE CC(C)(C)[C@]1(CN2CCN(c3ccc(F)cc3C#N)CC2)CCN(Cc2ccccc2)C1 1659858402 BUJBSDJULXPICS-MHZLTWQESA-N 434.603 4.758 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)CCc2ccc(F)cc2)c1 1661061093 SCFRSJYZAINNMR-UHFFFAOYSA-N 440.492 4.573 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Br)cc1F 1664401655 QKZHIANVQMCFDH-ZDUSSCGKSA-N 432.742 4.707 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC)c1ccc(Cl)cc1F 1670009403 QKZMIYXEGOZYPM-GOSISDBHSA-N 425.895 4.817 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C(C)(C)C1 1670179388 HFVSXNYURQSRQR-LJQANCHMSA-N 444.576 4.893 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 1670716912 XLFMKUDEPMVJDA-WOJBJXKFSA-N 430.335 4.871 30 10 IJEE COc1cc(NC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)c(F)cc1C#N 1673761785 BFTDWEBBFDBIMC-SFHVURJKSA-N 436.256 4.880 30 10 IJEE C#C[C@H](NC(=O)NOCc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1674025343 CMMJAINEWVBRQO-INIZCTEOSA-N 427.220 4.573 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1679193246 BFWZWIUYRPLSDC-NHCUHLMSSA-N 429.561 4.958 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C)C1CCN(C(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 1680633954 VJTZDZZVLQBKSN-BEFAXECRSA-N 441.494 4.879 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(Oc4cccc(OC)c4)nc3)cc21 1680802252 JZXARNXKGBXNCD-UHFFFAOYSA-N 429.480 4.740 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1681036706 LYKRSNDVMBGRRW-BAGYTPMASA-N 427.589 4.955 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1)c1ccc(Br)cc1 1682357282 WKMUSKWDXJIIKK-RDJZCZTQSA-N 444.398 4.658 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC(F)(F)c1ccc(Br)cc1 1682912883 YJULQZLUYYLBHC-UHFFFAOYSA-N 425.248 4.525 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 1683106500 HNWQHDVNRUZESH-LJQANCHMSA-N 446.378 4.648 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 1683288803 DXZUICHKSBIOFF-ZJSXRUAMSA-N 427.539 4.931 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12)c1ccc(Br)cc1 1686773206 LPRIGXKCHUHKIX-VBKZILBWSA-N 442.332 4.685 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)N1CCC[C@H](C)C1 1689950858 DSWRBFQDTAFVEH-MOPGFXCFSA-N 439.673 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](OC)[C@@H](C)CC 1690037487 WPNGGHQBGWEAED-ZJOUEHCJSA-N 438.641 4.655 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCCN1CCCC 1690037707 ZZSIHNVYZPSKCQ-QHCPKHFHSA-N 443.595 4.809 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1690155224 HWTDAYSGEMEPKT-ZWKOTPCHSA-N 430.593 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CC)OC 1690194801 AOGNAAKPACEPQI-BKMJKUGQSA-N 431.584 4.770 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC=C(C)C1 1690241573 UITRXULIDFIGLQ-YJBOKZPZSA-N 449.418 4.907 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1690414628 DTWPTEJUWLBZRO-HSZRJFAPSA-N 449.599 4.772 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1690426721 YLUDTJOPQHELSY-UHFFFAOYSA-N 429.572 4.757 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSCC1)c1ccccc1 1690442410 RUEHVJVQTBYGRE-LJQANCHMSA-N 425.989 4.907 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1690445070 QZXFAKRQHZSELN-YZUZCNPQSA-N 430.600 4.619 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690467437 WQGITTQAPQVZJB-IBGZPJMESA-N 438.494 4.598 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1Cc1cccnc1OCC(F)(F)F)C1CC1 1690541410 ZVWBRSXGXYAYDX-UHFFFAOYSA-N 443.473 4.793 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1Cc1ccc(OC(C)(C)C)nc1 1690559603 IDHHZCRLMQADOE-UHFFFAOYSA-N 442.567 4.840 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC1(O)CCCCC1 1690586669 RLOAYVUIHIQOJG-UHFFFAOYSA-N 449.368 4.720 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1nccs1 1690611274 GVUWMZRQUJWGEO-QGZVFWFLSA-N 448.596 4.701 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCC(C)(C)C 1690611720 XMQHSLIKSOXYNC-UHFFFAOYSA-N 438.414 4.511 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOC[C@H]1C 1690736621 KKZRKGRABSMBHB-MRXNPFEDSA-N 444.601 4.957 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)O[C@H](C)C1 1690736861 QTMVHUGEEXUPBX-CALCHBBNSA-N 432.659 4.808 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCC[C@@H]1C 1692343305 AFHCVXISZLPUFW-MBSDFSHPSA-N 429.996 4.916 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@](F)(C#N)C2)s1 1693305511 FGBGYHSMFQTRRQ-FKIZINRSSA-N 448.930 4.748 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCc2ccccc2)CC1 1705530977 UIQCQNHEQBVXIO-UHFFFAOYSA-N 435.959 4.593 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCCC1(F)F 1705609806 RKIOGZHAAYNFCB-GOSISDBHSA-N 432.515 4.637 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(CCC(F)(F)F)CC1CC1 1705721579 JUONHLJYNGRGCS-UHFFFAOYSA-N 446.315 4.791 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705799722 DZYTUYDBZSTZOB-QHCPKHFHSA-N 435.616 4.625 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1705804250 UQNNWMSEYQZDCP-YVGXBJCXSA-N 425.602 4.575 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(Cc1ccnn1C)C1CC1 1705814418 OOKGYSYWWPTZNL-UHFFFAOYSA-N 441.377 4.576 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCCN(C)C(C)C)C1CC1 1705851762 QWOGKPKUMUSVHL-UHFFFAOYSA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1 1705866243 LBDMRBJBSRZHKV-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1705879249 RXDYCQUAWVQENZ-UPVQGACJSA-N 445.567 4.706 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCC1 1706255286 BQFNYMFPDRUJMV-XUZZJYLKSA-N 441.023 4.849 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)CN1CCCC1 1712792642 BHXHJYROZNHABN-IBGZPJMESA-N 440.661 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cccnc1OCCC 1722274835 ADQKHMCXKSKVLZ-PZJWPPBQSA-N 447.583 4.725 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC(C)C)CC1 1722307908 CAUOXSUXOVPXDN-HSZRJFAPSA-N 437.632 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1722496638 MRHZXJMDITXBPV-CLWLKPMESA-N 440.588 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1scnc1C 1722529250 YARYFOOBPPRLTA-UHFFFAOYSA-N 435.956 4.732 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2([S@](C)=O)CCC2)CC1 1722575049 WLKREROCRHKIJK-DFXYEROKSA-N 426.630 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1cccs1 1722590608 HCCQCSSDRKGKQL-HNNXBMFYSA-N 427.574 4.867 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnn(C)c1C 1722597567 NWNDQDXNHCSYTI-UHFFFAOYSA-N 449.422 4.804 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1722610774 CWRKFTNNUDGREJ-KRWDZBQOSA-N 439.501 4.761 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC(c2nccs2)CC1 1722628507 DIKNZFBOXGFPDL-UHFFFAOYSA-N 437.613 4.611 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(C)ccc21)C(C)C 1722665224 LLVHCCOJCCWWQD-ZCYQVOJMSA-N 449.643 4.873 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1Cc1ccc(OC)cc1C(F)(F)F 1722670250 DGMXJZPQDDXHQV-UHFFFAOYSA-N 443.473 4.518 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)oc2ccccc12 1722674042 CKTZJPFJDQZBSB-UHFFFAOYSA-N 447.564 4.551 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCC[C@H]1C 1722675259 LQCNLRNHRGEPHP-FQRUVTKNSA-N 434.584 4.887 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1722682474 MQWJUJJELWDSFS-UHFFFAOYSA-N 426.309 4.628 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCCC[C@H]2C)C1 1722716166 UAPQESHRPNSLCY-PKTZIBPZSA-N 437.632 4.689 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@@H](C)C1 1740565987 MPCWLORCXLZLTA-AWEZNQCLSA-N 437.382 4.592 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740581914 HHMBUUVECIEKNG-LJQANCHMSA-N 449.555 4.550 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCSC1 1740663439 JDJXIHIVYSKSND-NRFANRHFSA-N 433.625 4.955 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1ccnc(SCC)c1 1740775254 SJDWHOJNYPNRGB-UHFFFAOYSA-N 425.577 4.966 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H](COC)C1 1740813249 AEXOIPUYKDSCFF-LJQANCHMSA-N 432.996 4.904 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](c2ccco2)N(C)C)CC1 1740820624 KYDLROODEWLUFL-IBGZPJMESA-N 441.963 4.659 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740868545 NBARMEGJMFRWDD-RXVVDRJESA-N 437.519 4.576 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1740883126 JWZGLLFJHSUKCR-GOSISDBHSA-N 441.576 4.826 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740889265 YKUZELASOSOULS-GXRSIYKFSA-N 430.637 4.806 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740903808 MAFJAWUKLWUPHJ-KBMIEXCESA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ncc(CC)s1 1740924172 JAMHOMHZPDBKNC-UHFFFAOYSA-N 436.610 4.585 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1CC1CCCC1 1740924189 JOWBZOFRHBFVLU-UHFFFAOYSA-N 441.626 4.714 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@@H]1OC 1740935957 CJSDBCNAVRVISC-ICSRJNTNSA-N 441.963 4.637 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)c1ncc(C)s1 1748655734 FFIMWWHNXWHGMO-KBPBESRZSA-N 429.977 4.634 30 10 IJEE COc1ccc(CCn2c(C3CCCC3)nnc2N(C)[C@@H](C)CC#N)cc1OC(F)F 1748741744 AHUSKGDKUKXVMI-HNNXBMFYSA-N 433.503 4.527 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1sccc1C 1748872408 BNRQELOPUQWZGT-UHFFFAOYSA-N 445.411 4.650 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1c(C)nn(C)c1C 1748917958 RZJOQLFOJFKPNH-UHFFFAOYSA-N 448.571 4.671 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@H](C)[C@H]1C 1749024510 SUQLUPZFSFOQLV-IAGOWNOFSA-N 446.711 4.972 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1749027242 XTFNKRZAUHWURD-OALUTQOASA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)COC 1749055745 OKVMUCMLJJOTEH-BXKMTCNYSA-N 435.597 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H](OC)[C@@H](C)CC 1749080305 LBJTWFZFJDEUHI-XZDHIHRUSA-N 426.630 4.932 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCN(CCC)C1 1749147422 IGXXSGUXFCMPSO-OAQYLSRUSA-N 432.616 4.936 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cc(C)on1 1749171205 SAPBLIMOIVBOHB-UHFFFAOYSA-N 436.343 4.911 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC1CCC1)CC1CC1 1749189787 SHCDMRULVUKQNG-NRFANRHFSA-N 443.636 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CC(C)C 1749356118 XMIZOGBJJDVMJG-UHFFFAOYSA-N 446.665 4.631 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](CC)C1 1749449393 MVDYCXXZNZYDTJ-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1sccc1Br 1749483067 VVPSAIPXAUUJES-UHFFFAOYSA-N 428.359 4.921 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1ncc(Cl)n1C 1749606228 RACXLRQCBWAJIC-OAHLLOKOSA-N 449.386 4.898 30 10 IJEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1749634507 BBWGTWJUOMEUBX-UHFFFAOYSA-N 428.993 4.554 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749637939 NBZFSWVAXUBSOR-FQEVSTJZSA-N 445.007 4.569 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2cccn2)CC1 1749748859 BKTXBSOIWVLQHR-UHFFFAOYSA-N 443.020 4.631 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC1CCC1)CC1CC1 1760130527 LDEOXZRASRUOEQ-UHFFFAOYSA-N 430.394 4.856 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCC[C@H](COC)C1 1760159547 JREILMJAFDWHMY-SFHVURJKSA-N 433.021 4.890 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1760244184 ZTZMVGHHRJGUOO-WWPVKYPJSA-N 440.563 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)c1cccs1 1760291338 LAEATXFKALAXNO-YADHBBJMSA-N 426.973 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C2CC2)CC1 1760337920 MVVOZPXDWXTYGO-IBGZPJMESA-N 443.636 4.985 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(N2CCCCC2)CC1 1760342571 OVYDMVQZCUEPFW-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760370480 UKZFKGLKUVZIIJ-OKILXGFUSA-N 440.922 4.832 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1760391496 FMHSAOWUBIXKBV-NVQXNPDNSA-N 437.632 4.567 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2CN(C)C(C)C)CC1 1760403332 OHQHDICXNMTIDJ-UHFFFAOYSA-N 444.627 4.555 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760408571 OZLDWXXDADQMIE-HTAPYJJXSA-N 440.588 4.568 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760431913 DKYPHVYJXGGEPS-HXUWFJFHSA-N 436.398 4.643 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760435128 YUPSABISWNCOET-HNNXBMFYSA-N 448.398 4.713 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@@H]1CC 1760448047 WKNNEUGDKGIRHW-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1760507113 HCYSQPQQVPKLOV-RBUKOAKNSA-N 443.979 4.524 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1)C(C)(C)C 1770439898 GGFWAIMLFLJDLW-PWRODBHTSA-N 439.629 4.742 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1C 1771110149 GIRNLAPEMXKXTG-FUHWJXTLSA-N 446.393 4.510 30 10 IJEE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@](C)(O)C(C)(C)O)C[C@H](O)C[C@H]1O 1775954678 KRGCLKZOZQUAFK-IEPHRWPLSA-N 444.656 4.842 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2c3c(nc4ccccc24)CCC3)nc2ccccc12 1859656817 DJTBYZUPOGFOOH-UHFFFAOYSA-N 444.498 4.890 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(=O)n(CCC)c1)[C@@H](C)CC 1861243698 PBEIWTVLEAHTIT-REWPJTCUSA-N 433.637 4.660 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 1862094460 KFUVLSKVYAJSCP-QFIPXVFZSA-N 448.542 4.858 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862432598 IQCGPBSBTRHQLI-IBGZPJMESA-N 442.302 4.538 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl 1862446320 PNXUCYMMCRIONO-IBGZPJMESA-N 433.335 4.523 30 10 IJEE COc1ccc(OCCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 1862475898 WWUOBTIEIDOXLA-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1O 1862481075 WJQDWFWJYHJOJM-OAQYLSRUSA-N 435.501 4.549 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Br)cc2)cc1 1862540658 SHTNQVXRHIKIDP-IBGZPJMESA-N 426.310 4.752 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(C)c1 1862544114 WPZYXPMHCCBINZ-DEOSSOPVSA-N 433.548 4.879 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(F)c1 1862626870 HMTAWMCKWUVPCC-CMJOXMDJSA-N 445.446 4.894 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@H](C)CC)c1 1862641016 UZIVCGMITYXMBS-SPLOXXLWSA-N 427.472 4.610 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1C(=O)O 1862651179 MWUIVDSOYBRUNT-QFIPXVFZSA-N 429.472 4.772 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccc(F)c2)cc1 1862702942 PNSKOKNLWORTPF-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879288 MFEISKASAZJPFY-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N([C@@H](C)c3ccccc3)C2=O)ccc1F 1863469760 XOMCEYSHRFVNAJ-KRWDZBQOSA-N 425.463 4.959 30 10 IJEE C=CCNC1=C(c2ccc(Cl)cc2)C(=O)N(C(c2ccccc2)c2ccccc2)C1=O 1863534036 DROPJUITFUXLEG-UHFFFAOYSA-N 428.919 4.985 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccccn1 1864560552 BDYLMMNWGONYNE-NRFANRHFSA-N 439.604 4.558 30 10 IJEE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](C)C(=O)Nc1ccc(C#N)cc1 1866679520 SGUJEIAGXLTESH-INIZCTEOSA-N 444.535 4.505 30 10 IJEE C=CCOc1cn(CCCOCC)c(CSc2nc3ccccc3n2CCC)cc1=O 1870244532 VDPAVWWGMGDGHM-UHFFFAOYSA-N 441.597 4.892 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCN(CC)CC)C4)C2=O)cc1 1871355734 IUMXERMJZQJUCZ-UCQKPKSFSA-N 436.552 4.504 30 10 IJEE CCCC[C@@H](Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O)C(=O)O 1871423813 YSPOZOCCDWIFFZ-GFIJVFARSA-N 426.465 4.651 30 10 IJEE Cc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871456792 WZPZSOGNPKTBBO-KSEXSDGBSA-N 443.455 4.666 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N(CC)CCO)n1 1871516189 QCUGUQJMHUEJCO-UHFFFAOYSA-N 432.588 4.547 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871759224 KHHIQYVXSGWNLU-JOCHJYFZSA-N 446.638 4.549 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1871871538 NTYPTFBUQQVFGL-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871988546 MNLZPUUMFJVCLS-VGSWGCGISA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cccc(N(C)C)c1)S(=O)(=O)c1cccs1 1872190703 SNZLONGJOBJBPU-HXUWFJFHSA-N 449.642 4.578 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)CCCC 1872443120 VMNMOVWJGICLEL-NRFANRHFSA-N 440.675 4.878 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874235405 HIGFLPZSEXRPHQ-WGOQTCKBSA-N 445.548 4.825 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(OC)cc1OC 1874248306 JFCQOQBDQHBEIH-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874264494 AFVZLJVQQLOJGC-FOKLQQMPSA-N 444.944 4.775 30 10 IJEE Cc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874336323 DWEOXUAZCMNESG-XDEFOSFOSA-N 447.608 4.528 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCCO)cc1 1874374042 DXYNWOQDSYIWPL-XQNSMLJCSA-N 428.627 4.779 30 10 IJEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874398805 FQKSMCAFDBDTGR-WTJYETQFSA-N 440.569 4.840 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(Cl)cc1 1874420483 OGUJNGZCDHOJKT-CIAFOILYSA-N 433.990 4.503 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2F)cc1 1874461010 RSSRAASDXOOCBR-LSFURLLWSA-N 425.367 4.519 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1O 1874463177 WPKNNTPKMUVYCK-GZIVZEMBSA-N 428.823 4.536 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)cc1 1874473930 DUDFONUBCVLDTQ-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(F)cc1 1874476062 BJYMIPZFYLOXGN-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1c[nH]c2ccccc12 1874504445 RUWXEWOGBKRHQP-VULFUBBASA-N 446.580 4.942 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NCc3ccco3)c2)cc1C 1874599829 GGLJTXZXHJUOJU-VQHVLOKHSA-N 449.503 4.505 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OCC(=O)OC 1874629544 IIWAYCWQBSJEAZ-BQYQJAHWSA-N 432.900 4.812 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(CCc3ccccc3OC)n21 1875033284 MFYLNGNICNVNAL-SFHVURJKSA-N 430.618 4.781 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC(=O)C(C)C 1875151709 ZEOYJULNUFGXRQ-GQCTYLIASA-N 447.281 4.644 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1)c1ccc(F)cc1 1875159490 FCBFDCDDDVJMNV-UNXLUWIOSA-N 435.363 4.578 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1c(Br)cccc1Br 1937829559 YEAHAJDIHSDVLX-GJZGRUSLSA-N 448.199 4.551 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1962793761 DTFZFQXTOOMUSQ-KRWDZBQOSA-N 429.399 4.773 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)c(O)c1 2079854098 FIHUYKDQHLWBKT-CQSZACIVSA-N 448.239 4.576 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2124541904 YAZRTMRXIYBOJR-MRXNPFEDSA-N 448.344 4.871 30 10 IJEE C[C@]1(C2CC2)CN(c2cc(Br)cc(F)c2C#N)CCN1Cc1ccccc1 2163701217 ZNMOVIJMJSMXNN-JOCHJYFZSA-N 428.349 4.951 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2C#N)C[C@H]1CC(F)(F)F 2176100789 LMQQHDYGVPUERF-CQSZACIVSA-N 448.283 4.699 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(Br)cc1C#N 2181055884 NBLIVAUKVJKPJK-UHFFFAOYSA-N 438.366 4.980 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181144078 PQCFMQAEVXIEFY-GJZGRUSLSA-N 436.350 4.590 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1N(C)Cc1ccc(Br)cc1C#N 2203611785 FXGSWTFSAPHPTI-MOPGFXCFSA-N 436.394 4.931 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@@H](N)C#Cc1ccccc1Br 2235721507 ISKSXRSJKQWTIQ-QUCCMNQESA-N 435.406 4.849 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 2235732225 YGGHAOFQCGMGFR-QUCCMNQESA-N 435.406 4.720 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(Cc2ccccc2)C2(CC2)C1 2262202588 AHUZJEQJFMHYRY-HHHXNRCGSA-N 435.564 4.818 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)c1ccc(Br)c(OC)c1 2292213341 SGBDRGUNAWWAFK-OAQYLSRUSA-N 435.314 4.763 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](N)C#Cc1cccc(Br)c1)C1CCCCC1 2296219768 RGNYQYJYAXLXRE-PMACEKPBSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296266840 MNYCVGHOSKPPSI-PKOBYXMFSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]12CC[C@@](C)(CN1C(=O)OC(C)(C)C)C2 2296277665 VIDMEXOLPNCJQV-QIJUGHKUSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2296279208 MRUORVDFRWJLAK-ICSRJNTNSA-N 433.390 4.592 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2296295167 AGAXNJYKZNKJQQ-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2296304413 HCVAGZZPJYQKHP-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C(C)(F)F 2296310948 PTMOQNCEDDDZPV-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@H](N)C#Cc2ccc(Br)cc2)C12CCC2 2296311143 SQYGLSJUORXUCQ-QXAKKESOSA-N 433.390 4.602 30 10 IJEE COc1cc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)ccc1O 2296769442 MHRSCWLCSGGACG-NRFANRHFSA-N 435.863 4.681 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2296931351 GLJLHVDEHIQVLJ-IBGZPJMESA-N 449.488 4.603 30 10 IJEE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1cc(Cl)cc(Cl)c1 2313601762 NQTNKESPGBAMPQ-UHFFFAOYSA-N 447.351 4.953 30 10 IJEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccccc2)cc1 2321075748 VLQZPPCRXYCMTI-UHFFFAOYSA-N 437.569 4.769 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(OC)cc2)cc1OC 2322016447 NWLPMRCMZXJAJD-UHFFFAOYSA-N 440.569 4.626 30 10 IJEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccccc1OC 2322104186 NESIPQAWFVGJGP-UHFFFAOYSA-N 426.542 4.606 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)Nc3ccccc3F)c2)c1 2323177973 QJXOAAVQFGMTOJ-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2[C@H]2CCCO2)ccc1OCc1ccc(C)cc1 2323532897 HLMXBIQWCBFXDS-HXUWFJFHSA-N 438.553 4.587 30 10 IJEE SC[C@H](COCc1ccc(I)c(Br)c1)CC1CC1 2325380978 IKYWBGVUIPWPIL-LBPRGKRZSA-N 441.172 4.916 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2328074824 BALXKVFKRJJCBV-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccc2O)cc1 2329249673 BCFLNJSHLFDDNL-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE Oc1cccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCc2ccccc2)c1 2329846330 LECCVVFDNMJVBG-UHFFFAOYSA-N 432.524 4.931 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N=Cc2ccncc2)cc1 2329966123 MMDVDLIXYALYRQ-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2331208328 RVPRRLZLAFARKR-UHFFFAOYSA-N 449.492 4.943 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1c[nH]c2ccccc12 2331334890 SFWSPBSDGQDSPU-UHFFFAOYSA-N 437.525 4.656 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OC 2331366281 ISBDRQZMHQFESQ-UHFFFAOYSA-N 433.298 4.986 30 10 IJEE Cc1ccccc1CSc1nnc(CC(C)C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331431296 MCYULMSTRLAFOJ-UHFFFAOYSA-N 425.514 4.573 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(F)c3)cc2OC)cc1 2331467491 WYXYRYFGBWOCFX-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CN(Cc1nccn1Cc1ccccc1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339541260 JCKQIYWFULOVOF-UHFFFAOYSA-N 430.361 4.607 30 10 IJEE CN(c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN(Cc2ccccc2)C1 2339587723 YNSBMGTZRIUKLG-HSZRJFAPSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N1CC(C2(Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)CC2)C1 2339589429 XGYJXMISOLJHPV-JLHYYAGUSA-N 441.381 4.538 30 10 IJEE COc1ccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c(Br)c1 2364845602 APIXCIYAHFKAMI-UHFFFAOYSA-N 439.546 4.549 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2365123514 LCTCRNSSSSDXLO-SVTOKYKXSA-N 445.416 4.685 30 10 IJEE O=[N+]([O-])c1ccc(/C(O)=N/c2nnc(/N=C/c3ccc(Br)s3)s2)cc1 1883261 VKLKRUBLAXFOKJ-FRKPEAEDSA-N 438.288 4.657 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)cc(C)c3C2=O)c1 41291497 FWXDTHCMTYMPGA-YVNNLAQVSA-N 430.412 4.568 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)c2ccc(F)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59310664 PHBUCUWWISZNIC-DHRITJCHSA-N 427.549 4.923 30 10 IJEE COc1ccc(OC(=O)CSc2n[nH]c(N/N=C(\C)c3ccc4ccccc4c3)n2)cc1 59819818 ZAVDORHKKHKUMC-MFKUBSTISA-N 447.520 4.500 30 10 IJEE CCOC1=CC(Br)=C/C(=C\Nc2ccc3oc(-c4ccncc4)nc3c2)C1=O 136137109 NPFRQVWXHZCDOQ-WYMLVPIESA-N 438.281 4.968 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(O)cc2)c1 169960696 JOPJAPVMIRZEPX-DEOSSOPVSA-N 441.483 4.727 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccnc2)cc1 170002699 CTVXQFPCDIPVGP-QFIPXVFZSA-N 443.459 4.896 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccc2C)c1 170086497 ZNDNNJAMFVGAJA-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2sccc2C)c1 170105180 DOAHUXKGFOJJEU-FQEVSTJZSA-N 449.484 4.577 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)c1 170134284 SBNMOYPNMQZOPI-QHCPKHFHSA-N 447.487 4.799 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)cc1C 170144399 PSIQECIRIRTWCJ-XMMPIXPASA-N 442.515 4.876 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1cccs1 170161305 RWQBEQLGASKGIP-HXUWFJFHSA-N 434.448 4.550 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)c1 170221546 ATRGKYGKTGNJQX-UPCLLVRISA-N 441.483 4.802 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 170242188 FMHNJCIRWLUMCH-JOCHJYFZSA-N 437.467 4.508 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccco2)c1 170279189 JTWFVIAOWAQZKA-CMJOXMDJSA-N 445.471 4.785 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)c1 170289646 KTCCKOUPLMVRDX-QFIPXVFZSA-N 428.444 4.723 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C)o2)cc1C 170310645 SIFNIEXOGMXGOX-JOCHJYFZSA-N 441.524 4.689 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2sccc2C)cc1C 170317297 UJYYAPYSZDDWEV-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(N(C)C)cc1 170445555 UGEVNXCKDCNTCE-HSZRJFAPSA-N 446.503 4.917 30 10 IJEE N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1 229172920 LEIZFJHQCXYMOH-QDSKXPNFSA-N 431.536 4.781 30 10 IJEE N#C[C@H](C(=O)c1cc(Br)ccc1I)c1cccc(F)c1 236242655 UJPPUCOIXAAGPI-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)N1CCOCC1 254842324 DEFPEUOTNNCCHS-UHFFFAOYSA-N 431.970 4.651 30 10 IJEE COc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443343023 OENRLSJBPTULFX-UHFFFAOYSA-N 441.915 4.526 30 10 IJEE COc1ccc(CN(CCc2ccccn2)c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 480850071 GRZIIHAICUBKPU-UHFFFAOYSA-N 439.475 4.668 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@H](c4ccc(F)cc4)C3)n2Cc2ccccc2)cc1 549499541 ITQQGHQGTBRTNI-DEOSSOPVSA-N 439.494 4.582 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(OCc2ccc(F)cc2)CC1 670231055 OYKDCVYWMBKKAQ-XMMPIXPASA-N 448.542 4.855 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(I)ccc1Br 692277929 XPOJDSAEJVPXDD-NHYWBVRUSA-N 448.142 4.918 30 10 IJEE CC(C)(C)OC(=O)N(CCCN=[N+]=[N-])[C@H](C#N)c1ccc(I)cc1 698968483 SVDHXZPTWAOHGF-CQSZACIVSA-N 441.273 4.793 30 10 IJEE C#CCN(Cc1nccn1Cc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 733196339 BGSOJIXOISNYBX-OAQYLSRUSA-N 436.353 4.653 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)N2CCOc3ccccc32)cc1F 742963694 USWXWDBHBOYYKB-UHFFFAOYSA-N 445.450 4.634 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@]3(C2)OCc2ccccc23)c1=S 774704433 PJYYKPCNEUZPGW-DEOSSOPVSA-N 433.581 4.531 30 10 IJEE Cc1cc(C)n(CC(=O)N2C[C@@H](c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2C)n1 783520017 ONVXJAQAJOTHHV-NRFANRHFSA-N 449.536 4.721 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CCCN1C(=O)OC(C)(C)C 790293602 OPNKLVWIQQARFB-CJAUYULYSA-N 439.556 4.880 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 802576588 XLFIJSFYFQRABI-GOSISDBHSA-N 427.474 4.853 30 10 IJEE C=CCn1c(SCC(=O)OCc2oc(CCC)nc2C)nnc1-c1ccc(Cl)cc1 1129574553 FOHGSITZOXKARI-UHFFFAOYSA-N 446.960 4.869 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccnc(N2CCCCCC2)c1 1137604843 VEMALXFGKOLJOR-UHFFFAOYSA-N 433.474 4.976 30 10 IJEE C#C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(Br)cc1 1141460878 JEWTYONFXPXUNU-HNNXBMFYSA-N 432.115 4.797 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)s1 1148372835 YLCMXLGJADPHQB-HXUWFJFHSA-N 441.940 4.685 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O 1155340629 RVNFQOUMYUFOKN-UHFFFAOYSA-N 440.499 4.868 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)CN(C(=O)OC(C)(C)C)C1 1157017699 TYMXQAXCUQYLDP-SFHVURJKSA-N 437.540 4.864 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 1166815651 RCAGWCYJTFRZQG-PKTZIBPZSA-N 443.632 4.605 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2Cc2ccccc2)c1 1184472595 PCEYTUVQGJXPFP-UHFFFAOYSA-N 441.936 4.614 30 10 IJEE COC(=O)c1ccc(NCC2(c3cccc(Br)c3)CCCCC2)c(C#N)n1 1185572634 BZWDQVQSMFLKPW-UHFFFAOYSA-N 428.330 4.816 30 10 IJEE N#Cc1ccc(C2CCN(Cc3cc4c(cc3Br)OCCCO4)CC2)cc1 1198209885 AIJDEJVVTQZLGJ-UHFFFAOYSA-N 427.342 4.862 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)CCOCC1 1203646982 UQXWOZOEUIJTDM-LJQANCHMSA-N 436.478 4.517 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 1223818271 FORFMKSMDOEMRI-BAGYTPMASA-N 427.589 4.573 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1226137655 RPEHQSRXPHZGFV-FQEVSTJZSA-N 429.511 4.743 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1286315305 WFGPPDYQUDLISP-HSALFYBXSA-N 431.625 4.725 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCOC(C)(C)C 1286338724 GZCFLRYNHRKIRN-UHFFFAOYSA-N 433.394 4.681 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1286400685 DTYIVGQQRXSGIS-NHCUHLMSSA-N 443.595 4.521 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC)(CC)C1 1286504652 UVEOVHXDTFZETI-UHFFFAOYSA-N 434.613 4.514 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1286535464 AVEBWWRNCOGVQK-CYBMUJFWSA-N 434.288 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc2c(n1)CCCC2 1286567410 VEGHLXIANBWHFU-UHFFFAOYSA-N 432.528 4.578 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1286588333 BRIFLQAYQFZWRI-UHFFFAOYSA-N 426.908 4.893 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1286632359 KFDPIGQCBFXHFZ-KRWDZBQOSA-N 443.020 4.980 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1286739416 BSRAATJPLHJSBK-VQTJNVASSA-N 438.616 4.982 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@H]1N(C)CCCC1(C)C 1286763324 HUYUEZRIXYGAPZ-JOCHJYFZSA-N 437.588 4.795 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C1CCCCC1)N(C)C 1291843251 ADEINJHNADUQBX-ZTCOLXNVSA-N 436.648 4.926 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(-c4ccc(OC)cc4)cc3)n[nH]2)c1C 1293391658 AKEIYGDQJNXPBX-UHFFFAOYSA-N 441.535 4.682 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2sccc2C)c1 1299942304 BQGRIZMTMMZAAK-QHCPKHFHSA-N 437.569 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC(C)CC1 1300273743 HAGKRMLZBUDPDP-XUVXKRRUSA-N 444.023 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccnc1OCCC 1300285270 ZNNBJSQKEAMRGE-ZWKOTPCHSA-N 449.624 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1300313057 AOEKHZPZXUBQST-AQNXPRMDSA-N 442.051 4.737 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1300401714 XGLODQLZKKQCEA-QFIPXVFZSA-N 449.643 4.848 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1nc(C)cs1 1300643153 PONKUUYFYWFPNA-QGZVFWFLSA-N 446.555 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccoc1 1300813396 IIRZJEINCUSZCK-XMMPIXPASA-N 438.959 4.885 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1300997318 UCXKRPUUKPOBQP-DEOSSOPVSA-N 438.616 4.744 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)C1 1301000681 WSIIBOIRDUKISL-HNNXBMFYSA-N 425.360 4.603 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2cccc(F)c2)CC1 1301414618 GTROFPNBRRKFBI-UHFFFAOYSA-N 441.938 4.503 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn12)c1ccc(C(F)(F)F)cc1 1309335757 VKCSBVLGTLUSET-HNNXBMFYSA-N 443.878 4.992 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(Cl)cc1 1311955026 TXNZDOGANUOSEI-UXHICEINSA-N 433.980 4.787 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(F)c(F)cc1Br)c1ccc(Cl)cc1F 1312655887 IQBSXBFBESZKLQ-INIZCTEOSA-N 431.639 4.694 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1315686376 AQDMZFNFTAZXMJ-XZOQPEGZSA-N 433.600 4.847 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(I)c1 1348447411 GHJZYENSEMCCJK-UHFFFAOYSA-N 431.726 4.763 30 10 IJEE C=CCN(C(=O)CCNC(=O)c1cc2ccccc2[nH]1)c1nc(-c2ccccc2)cs1 1348496611 DTIONXZORLJDSH-UHFFFAOYSA-N 430.533 4.631 30 10 IJEE C=CCC(C)(C)C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1349066410 ZVYODQMOIXCFEP-SDNWHVSQSA-N 427.353 4.748 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 1350086088 WLWZEBHSLCMIRB-UHFFFAOYSA-N 443.499 4.747 30 10 IJEE C=CC[C@]1(C(=O)NCCc2cc(Cl)cc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1351886583 PWBXNLYOACCJRM-OAQYLSRUSA-N 427.372 4.998 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(Cn2cc(Br)cn2)s1 1355289314 CRFGEOYFQJBUID-UHFFFAOYSA-N 434.334 4.723 30 10 IJEE C=CCN(C(=O)c1ccc2cccnc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1356594098 CCVBHFMVBRRLNM-UHFFFAOYSA-N 449.557 4.595 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1358907642 WEJJJVLYVKIWEA-NRFANRHFSA-N 430.581 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C)CC1 1359093910 VBGPSYVGEBUKLG-YJBOKZPZSA-N 448.409 4.643 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1359151936 HFTYSBRMDZAXGZ-IRXDYDNUSA-N 436.934 4.543 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1359172718 GBGYJGGUQHNTGM-LJQANCHMSA-N 443.636 4.768 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1359173154 XHUDEUNLBKHDLR-IEBWSBKVSA-N 431.625 4.624 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359207934 BIXWDOZOSHRTCI-QUCCMNQESA-N 435.538 4.859 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359210077 JCJBEWRYLRWKJY-HKUYNNGSSA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCC[C@@H]1C)C1CC1 1359252488 SZKGLNCETZRZEX-SFHVURJKSA-N 429.559 4.566 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(F)(F)F 1359337430 RRZTXTKCGXFMAR-ZDUSSCGKSA-N 434.915 4.989 30 10 IJEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)Cc2cccs2)CC1 1360497330 HCPDQDCTLQNCMH-IBGZPJMESA-N 448.640 4.724 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F)cc1 1436239651 QRNZVALFAJSUFT-QZTJIDSGSA-N 438.446 4.792 30 10 IJEE C#C[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(Br)cc1 1436652295 YJGNNNOGWYAROE-KRWDZBQOSA-N 448.242 4.758 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 1440652176 QYVZNEGTDSZGLY-QHCPKHFHSA-N 433.017 4.942 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1441959620 PUMVAQMOGJTKHV-JOCHJYFZSA-N 438.568 4.736 30 10 IJEE Cc1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)nn1-c1ccccc1Br 1448349238 IECCIKKYFFMUSR-UHFFFAOYSA-N 436.313 4.642 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1)C(=O)OCC 1454711334 JJSKVSRQGLXMPE-FQEVSTJZSA-N 428.920 4.972 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC(=O)N(c2ccccc2F)C1 1458872934 CWQVUKIMZFQUGJ-DIFFPNOSSA-N 448.338 4.617 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(Br)cc(F)c1OC)c1ccccc1 1463376412 TUWXQIXVLRDJFM-MRXNPFEDSA-N 428.323 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 1467572388 MNEOOCJQYDKUQP-OZXSUGGESA-N 429.564 4.926 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 1467639896 XDAZQXARTLFHFT-KCWPFWIISA-N 446.639 4.943 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)SCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1473012707 BROGMEGUORZKTP-FRIYVGAWSA-N 437.650 4.686 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1OC 1474157203 OIRYJPZRALPBJG-HRAATJIYSA-N 446.950 4.894 30 10 IJEE C=CCC[C@H](NS(=O)(=O)Cc1cc(F)ccc1OC)c1ccc(C(F)(F)F)cc1 1475124057 WAOYRUBCWBTGBF-SFHVURJKSA-N 431.451 4.980 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 1475384826 JBLPHKGWIIKQBT-AWEZNQCLSA-N 448.304 4.934 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 1476331645 YGWLRHFBIQJUQT-OAQYLSRUSA-N 435.549 4.796 30 10 IJEE N#Cc1cc(F)cc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 1476981794 BQSBPRJNCOJCOK-OAHLLOKOSA-N 425.851 4.812 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 1477777345 ADUICWPWBSLTLR-LJQANCHMSA-N 432.495 4.977 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 1478321950 DKIQSAHIPGYROO-MRXNPFEDSA-N 442.343 4.697 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCC2)C1 1497581808 FELCSXURMVYVOV-QFIPXVFZSA-N 425.602 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)c1ccccn1 1507513557 AJUSJVUKFBHWPG-ZWKOTPCHSA-N 437.975 4.902 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1507859091 XBBKLVRMXHIMIU-MAUKXSAKSA-N 430.339 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1507905589 BDNLCRVVGYKKEL-SANMLTNESA-N 448.615 4.720 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C)=C(C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1507927723 BXKKIBYKNDWGSM-OZXSUGGESA-N 436.600 4.837 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1oc(CCC)nc1C 1507971025 OTZZXTCSUFHRMO-UHFFFAOYSA-N 430.350 4.627 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1507976908 NPBBUJNRNFFRGQ-HXUWFJFHSA-N 425.577 4.747 30 10 IJEE C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1507982260 LURDOCUBWVHSNV-QPPBQGQZSA-N 435.641 4.830 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccn(CC)c1=O)C1CC1 1507990581 MBNXBMFSJHIUPT-UHFFFAOYSA-N 444.366 4.637 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CSCCS1 1508005776 VYTDZVSPSKDDHD-GOSISDBHSA-N 441.601 4.520 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)no1 1508011208 PDDNWCQDOCYQIA-WOJBJXKFSA-N 441.601 4.796 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCN1CCCCCC1 1508024636 MIAMDVRQNXSZQV-DEOSSOPVSA-N 437.632 4.631 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@@H]1C 1508026394 UREHOKPGXMILFA-CPJSRVTESA-N 436.625 4.717 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1508165699 WVUQHDFCOXRGKQ-FXAWDEMLSA-N 439.654 4.935 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2ccc(C#N)cc2Cl)(c2ccccc2)C1 1517070612 BJXMNIKTOCIEOL-QHCPKHFHSA-N 425.916 4.729 30 10 IJEE C=CCOc1ccc(CNC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)cc1 1520958374 RHMDHDDYRUWEJE-UHFFFAOYSA-N 425.891 4.648 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 1521544379 BIFARNDXSBYYNR-LJQANCHMSA-N 434.565 4.576 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)C(C)(C)C)cc1 1523247533 YJLFWODUOYTLPY-HXUWFJFHSA-N 438.543 4.879 30 10 IJEE COc1ccc(-c2nccnc2NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 1524098848 CNLHRXVURPJNTL-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[C@H](C)C2)c1 1525000483 HVLAVIWSAWEFAA-ZWKOTPCHSA-N 447.000 4.887 30 10 IJEE C=CCn1c(SCC(=O)OCc2ccc(COC)cc2)nnc1-c1ccc(Cl)cc1 1526971275 CROJMQWJKJMRCD-UHFFFAOYSA-N 443.956 4.766 30 10 IJEE COc1ccc([C@H](NC(=O)c2ccc(F)c(C#N)c2)c2ccccc2)cc1Br 1528459203 BKHWOHRAMGYSHY-OAQYLSRUSA-N 439.284 4.988 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)s1 1532257818 GSDXSPGPVIHWJH-MRXNPFEDSA-N 444.956 4.717 30 10 IJEE C=CCN(C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1)[C@@H](C)COC 1532291005 PFDPVYINPRTCLK-INIZCTEOSA-N 448.357 4.700 30 10 IJEE C[C@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1Cc1ccccc1 1533759269 GQXAUJMJIGOLLQ-HFZDXXHNSA-N 439.559 4.920 30 10 IJEE C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Sc3ccc(Cl)cc3C#N)cc1)CS2 1536513589 FRSWEGRAMOIAKB-UTKZUKDTSA-N 443.981 4.755 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cnc3c(F)c(F)ccc3c2)nnc1-c1ccco1 1537485839 VGSUORRAVFIPAM-UHFFFAOYSA-N 441.463 4.671 30 10 IJEE CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1537703231 BHNHGGSZAZDROY-MAUKXSAKSA-N 441.984 4.942 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1539087554 WQOKJWRSHOODJK-NRFANRHFSA-N 447.608 4.735 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1539155517 WQOASNRJJDAJPX-PKOBYXMFSA-N 445.405 4.618 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCC[C@@H]1C 1539272908 GYBMKEAQCRYZJK-PZJWPPBQSA-N 439.003 4.761 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1 1539643092 UACXROIRPUENRA-WBADGQHESA-N 438.616 4.814 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N(C[C@H]1CCOC1)C1CC1 1539782814 CFBUJDGZPBRTFS-GFCCVEGCSA-N 443.798 4.527 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1539854537 SBZFQVMEOBFYOI-ZJSXRUAMSA-N 438.616 4.897 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccccc2C(F)(F)F)CC1 1539888532 QRBDHIYZOZNLTR-IBGZPJMESA-N 434.506 4.836 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1539944711 FWWQRJAPMIKJSP-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1539948784 RYBDCEZFOOODBV-NOZRDPDXSA-N 449.643 4.675 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1540033960 SILVSQAVYMLFJO-UHFFFAOYSA-N 447.583 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(OC)CCC(C)CC1 1540059440 QCNYVOPCPXHQLJ-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC(F)F)c(F)c1 1540164703 UKNRGFPZCLMUTA-UHFFFAOYSA-N 429.446 4.616 30 10 IJEE C=C[C@@H](C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1540851911 GBKYRRNRSLBZSP-HSZRJFAPSA-N 445.529 4.694 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)C1 1540893082 WNCVTQKJPDOMIF-VQTJNVASSA-N 433.021 4.589 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nnn(-c3ccc4ncccc4c3)c2C)C(F)(F)F)cc1 1544661386 ITPUVTMSJLQCFM-NRFANRHFSA-N 436.393 4.566 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)CCC(C)C 1546626735 CRRFJEUVJUXWAO-ZJCBTPCYSA-N 439.604 4.541 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 1556473852 PJXKZQFIBVHOGT-UHFFFAOYSA-N 438.524 4.845 30 10 IJEE C#CC[C@@H](NC(=O)NCc1cc(Cl)ccc1I)c1ccccc1 1564385297 MYZWYYBRCFJOBK-QGZVFWFLSA-N 438.696 4.508 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(I)cc(Br)c2C)C1 1583967617 ISMCBRCUJUTWBP-LBPRGKRZSA-N 448.142 4.790 30 10 IJEE C#CCSc1ccc(COC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 1585106443 ULUCNNRCHHIGET-UHFFFAOYSA-N 429.545 4.901 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCC1 1587240311 XIYWIYXJZSAWQZ-UHFFFAOYSA-N 426.582 4.768 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1593611139 NKLJTNJHHABKPN-INIZCTEOSA-N 431.968 4.620 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc2ccccc2[nH]1 1593718261 RGANUXDIFPZTLG-UHFFFAOYSA-N 436.947 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](CC)O[C@H](C)C1 1594461210 MKPMDYKIYDSCED-QUCCMNQESA-N 434.588 4.941 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1594661159 RINCOBGNWYFNBU-TZIWHRDSSA-N 426.561 4.845 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)s2)C1 1595674102 MOMLGRCGYMYHLI-XLIONFOSSA-N 442.560 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(C)CCCS2)C1 1595744359 LKFKQSNNWVDLMP-YKSBVNFPSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(Nc2cnn(C)c2)nnc1-c1cc(C)n(-c2ccccc2)c1C 1595905316 HDERLEYXGREQDM-UHFFFAOYSA-N 433.585 4.749 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ncccn2)cc1C 1597867267 CWAIPSCWHFXUSD-LJQANCHMSA-N 426.517 4.765 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(C)cnc2Br)s1 1598427628 GYXFAACBEYIIDG-UHFFFAOYSA-N 432.796 4.943 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)OC)C1(C)C 1616539831 HVLASOJIJHWYTM-LEWJYISDSA-N 439.604 4.662 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccnc(Oc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1616631435 HBPYFGHMKNHIIG-VWLOTQADSA-N 437.540 4.836 30 10 IJEE C#CCN(Cc1nc(Br)cs1)[C@@H]1CCOc2ccc(Br)cc21 1621193553 LBQKRHOZLMUNDB-CYBMUJFWSA-N 442.176 4.627 30 10 IJEE Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)ccc1Br 1622076837 HJLFKZAKKOOYBB-KRWDZBQOSA-N 439.762 4.808 30 10 IJEE O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CC(c2cccc(C(F)(F)F)c2)C1 1622131226 CAHOQWZBDLBMEK-UHFFFAOYSA-N 427.341 4.651 30 10 IJEE C#Cc1cccc(NC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c1 1622738045 ZVOCPWPIGGCJQY-UHFFFAOYSA-N 433.552 4.758 30 10 IJEE C=CCNC(=O)CNC(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 1623062454 ZUOURCYSZVXTNL-UHFFFAOYSA-N 428.703 4.863 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)c1 1626797182 GZJUIPXAGHXNLS-NQIIRXRSSA-N 429.969 4.593 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3nn(-c4ccccc4F)cc3Br)cc21 1627045267 YQXIBFRABBJURN-UHFFFAOYSA-N 440.276 4.562 30 10 IJEE C[C@@H](C[C@@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1)NC(=O)OC(C)(C)C 1627424331 BRCQXAKJEZMIGX-MSOLQXFVSA-N 437.540 4.559 30 10 IJEE C=CCC[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)c1ccc(C(F)(F)F)cc1 1631195425 SOBJQNMBETWAJJ-SFTDATJTSA-N 445.485 4.986 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 1640070843 NNABXNZWWUQAGQ-OAHLLOKOSA-N 425.451 4.645 30 10 IJEE C#CCN(CC)CC(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC 1641945322 AEJPQFOWKIBWQX-UHFFFAOYSA-N 439.364 4.792 30 10 IJEE C=CCn1c(Sc2cc(C#N)c(Br)cn2)nnc1-c1ccc(Cl)cc1 1642016469 IYUXBBLGWQXBCS-UHFFFAOYSA-N 432.734 4.965 30 10 IJEE C#CCC1(NC(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2O)CCCCC1 1646457739 UVSQLXJMKBKCAV-UHFFFAOYSA-N 425.838 4.706 30 10 IJEE COc1ccc(-c2nnc(Sc3cc(C#N)cnn3)n2-c2ccccc2C(C)C)cc1 1649988545 HZOQSDXGHTUTNK-UHFFFAOYSA-N 428.521 4.879 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 1651648513 UYKQYFHXQFKSDY-CABCVRRESA-N 433.643 4.508 30 10 IJEE N#Cc1ccc(SCC(=O)N=c2sccn2Cc2ccccc2Cl)c(Cl)c1 1651872898 BDFCJNPQNPYYJM-UHFFFAOYSA-N 434.373 4.996 30 10 IJEE C=C[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1)C(=O)OC 1652358245 SGBGDGROWMKHOA-QGZVFWFLSA-N 449.454 4.781 30 10 IJEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@H]1CCCc2ccccc21 1652653259 MRCQBIOPBQEDKI-VWLOTQADSA-N 444.556 4.640 30 10 IJEE CCn1ccnc1[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1653441545 DBMJPTJCSCHBBU-APWZRJJASA-N 425.602 4.517 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)C2(CO)CCCCC2)cc1C 1654740950 BSIWWSHPASRXPV-AREMUKBSSA-N 433.596 4.824 30 10 IJEE C[C@H]1CCCN(c2ccc(C#N)c(Br)c2F)[C@@H]1CNC(=O)OC(C)(C)C 1655297533 WMUTUQPTJVZCDQ-SWLSCSKDSA-N 426.330 4.589 30 10 IJEE C=C(C)COc1cc(CNc2ccnn2Cc2cnn(-c3ccccc3)c2)ccc1OC 1656032553 JDHAGHXQNZNANZ-UHFFFAOYSA-N 429.524 4.693 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cc(Br)cc(C(=O)N2CCCC2)c1 1656193321 VMVQRPZZEJKDHT-UHFFFAOYSA-N 447.760 4.963 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CC)[C@@H](CC)Cc2ccc(C)cc2)cc1 1658320581 KLDQPOAGWAXXAC-QFIPXVFZSA-N 443.613 4.677 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 1658659199 PTRNSQNFEMIPCA-UHFFFAOYSA-N 447.457 4.764 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@]2(CO)CCOc3ccccc32)cc1 1661859952 BLPCITYDNPHACY-DEOSSOPVSA-N 431.517 4.501 30 10 IJEE COc1cc(NC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c(F)cc1C#N 1673291600 HHKRQZKNBHLTAP-UHFFFAOYSA-N 430.483 4.590 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(Cc3ccccc3)C[C@@H](O)c3ccccc3)cc2n1 1675018059 SOHMGCJTONHPLB-RUZDIDTESA-N 426.520 4.990 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)c(F)c1 1678006653 KITTZLNKHMOPSS-QMHKHESXSA-N 446.517 4.533 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(-n2ccnc2)c(F)c1 1678351259 DIXVKYIYDDKRKA-UHFFFAOYSA-N 445.292 4.660 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1)c1ccccc1 1683507983 KYEDEWQQLFLNGV-FCHUYYIVSA-N 437.584 4.572 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1)c1ccc(Cl)cc1F 1683517164 ROZTWPGGAADOKK-SFTDATJTSA-N 436.861 4.587 30 10 IJEE C#C[C@@H](NC(=O)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 1683676347 LYUOSZGMUQWENE-RUZDIDTESA-N 448.950 4.797 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccc(Br)cc1 1683681920 YTEZNSRQNVBZKI-QZTJIDSGSA-N 431.305 4.864 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 1684644711 MVKXULIXBNMSCP-SFTDATJTSA-N 431.577 4.789 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1689877125 QXIZKFGTOYXDTK-TZIWHRDSSA-N 440.563 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCc2cccnc21 1690268793 YOXHRUBWJZEXGG-JOCHJYFZSA-N 431.584 4.795 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1690380381 MOZIDIJRENIPRF-HFZDXXHNSA-N 438.616 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690428399 ONJAQEQDQPORHZ-UHFFFAOYSA-N 447.631 4.981 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690437607 JQWOZAKIVQGMLF-IFMALSPDSA-N 426.605 4.937 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)S[C@H](C)C1)c1ccccc1 1690444704 KZXCGANWGPCTGD-MZKRTTBSSA-N 433.625 4.954 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOCC2(CCC2)C1 1690474200 VSWMKHHCLHIKPI-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2C)CC1 1690496373 OWORRYOYVJLEIP-FYYLOGMGSA-N 437.632 4.798 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(C)s1 1690619908 INJWBTYBYZFGNM-UHFFFAOYSA-N 435.553 4.657 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](COC)C1 1690736268 YJMKWFMVGKZLKD-IBGZPJMESA-N 437.613 4.584 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCCN1CCCC 1705503428 WOLPNEQGBUNTND-PKTZIBPZSA-N 437.632 4.586 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705536248 KTIHGHHOUDDCAH-LJQANCHMSA-N 425.627 4.801 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(Cl)nc1 1705588489 GLKFUWYNOUGWSK-HXUWFJFHSA-N 447.970 4.595 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705592749 SLOQQPHVTHVFML-IBGZPJMESA-N 443.620 4.600 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccc(Cl)nc1 1705605451 LJILOMPPRIFBDK-UHFFFAOYSA-N 448.983 4.933 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1705653796 QAWFMXNSSXZFHF-SNRMKQJTSA-N 431.005 4.530 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)CC[C@H]1C 1705690014 HXZFNCRLOQCATH-GOEBONIOSA-N 428.378 4.884 30 10 IJEE C=C(Br)Cn1c(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1C(C)(C)C 1705690855 JMNYSWHMPKHWPP-UHFFFAOYSA-N 434.338 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)CCc1cccs1 1705707964 VEJUTRZXPRIVQL-CEWLAPEOSA-N 430.618 4.631 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC2(CCC2)C1 1705740319 IDHWIEYVISIOCP-UHFFFAOYSA-N 449.020 4.576 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 1705824267 LFZBHDAKJUJBRN-SFHVURJKSA-N 447.624 4.710 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCCN1C1CC1 1705857483 GJKCAFRNFOMDSG-RDPSFJRHSA-N 432.616 4.873 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@@H](O)C1 1705865348 KBESUKSGADDRCZ-FUHWJXTLSA-N 444.004 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1OCCC1(C)C 1705868366 KOVSDXBCQPFGOJ-IBGZPJMESA-N 443.642 4.703 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCCc1nc2c(s1)CCCC2 1705872515 AIBAYXXUUAPMMA-UHFFFAOYSA-N 444.608 4.963 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2nnc(O)c3ccccc23)n1CCC=C(C)C 1705880698 NIUCKQSXLJPCBL-UHFFFAOYSA-N 444.539 4.778 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCN1C1CCCCC1 1706126422 AATODUKIRRLSBA-JOCHJYFZSA-N 426.653 4.794 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)[C@H](C)CC#N)cn1 1707494735 ABZQYAKVCNSIRG-HXUWFJFHSA-N 432.572 4.860 30 10 IJEE 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CC[C@H]1CCC[C@@H]1Cn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1727712676 FZNATNUZKIIRPD-BJKOFHAPSA-N 448.659 4.986 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1740576230 ZOAHUGWKCBDLHD-VQTJNVASSA-N 445.652 4.800 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C)=C(C)C1 1740586423 AOHPIVKLDDAZQL-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cscc1C(F)(F)F 1740602468 VFBFLJJISWEMTR-UHFFFAOYSA-N 442.470 4.533 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(C)C)C1 1740710765 BUXHOAIHNXXBOP-QGZVFWFLSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCC1 1740734690 BCVGFBGFNCNNLP-HSZRJFAPSA-N 444.048 4.702 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@](C)(O)CCC)CC1 1740820784 QWVRNBAXTPAJAS-VWLOTQADSA-N 436.556 4.825 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(CC)(CC)OC)CC1 1740836295 STBYVHWWFSJGAS-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@H]1C 1740855249 FLJOWPSMRMYCQT-CTNGQTDRSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740863358 VUOGCNZYHOOJOO-VQIMIIECSA-N 436.478 4.926 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740865897 TWKJPCPBQPIOJX-MJGOQNOKSA-N 438.494 4.678 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CC1CCN(C2CC2)CC1 1740920843 HGPOUVQBFABDOY-UHFFFAOYSA-N 425.596 4.683 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(COC)cc1 1740923461 MMOKLHPGMSVSCB-JOCHJYFZSA-N 438.597 4.969 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1c(C)noc1C 1740924423 QKICIUNAVVHNRI-UHFFFAOYSA-N 425.583 4.838 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1Cc1cccs1 1740944023 LEEYVPPHRDZUSL-HNNXBMFYSA-N 432.391 4.505 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2c2ccccc2)nnc1[C@]1(OC(C)C)CCOC1 1741004493 CCNNFFTUVSMZLD-URXFXBBRSA-N 442.629 4.579 30 10 IJEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1743111088 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IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1ccc(C)nc1 1749536716 VTYCUIANPITWMX-UHFFFAOYSA-N 426.568 4.827 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)Oc1cccc(F)c1 1749552576 GNJTWXPPEKWHRO-DYESRHJHSA-N 442.560 4.990 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1749561801 WUNLRQLEOYLBPB-MRXNPFEDSA-N 439.913 4.661 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](COCC)C1 1749745899 KWORDJLBJHTLCA-LJQANCHMSA-N 437.613 4.584 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@]1(OC(C)C)CCOC1 1749764009 PQVBUASIXWLHEY-GCJKJVERSA-N 448.658 4.641 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1750690184 HMJWOIZJXNBEQG-QPPBQGQZSA-N 439.579 4.589 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@@H](C)C#N)C1 1750830277 BGCPEOOUTAZIGC-RBUKOAKNSA-N 429.012 4.562 30 10 IJEE C#CCCCn1c(-c2ccccc2OC)nnc1N(C)Cc1csc(Br)c1 1760151311 XNIVZJMXMQRKRQ-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1760152847 ATQGMZQNLGPAEA-HSZRJFAPSA-N 433.556 4.657 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760158571 OUPUOBUYUVRKOE-CVDCTZTESA-N 436.600 4.572 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC(=C)Cl 1760240600 WCKPENLZLCMBID-UHFFFAOYSA-N 448.727 4.567 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCCn1ccnc1C 1760241313 VZOUZDALXKZINV-UHFFFAOYSA-N 446.530 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCC1CCOCC1 1760332262 WXFXHRTXYIWGPQ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1760347758 VIQXPBPQRNWXFX-QFIPXVFZSA-N 436.556 4.829 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1760356565 QWHPMZHAPXKANV-QPPBQGQZSA-N 437.632 4.628 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(SC)CCN(C)CC2)CC1 1760398910 QYFWWLVPIKECDD-UHFFFAOYSA-N 439.673 4.737 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ncccc2F)CC1 1760434758 LQGKGJNWNXYTGL-UHFFFAOYSA-N 444.917 4.565 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@H](C)C1 1760499492 ZSHWUSIHDIJQAH-GGAORHGYSA-N 433.600 4.724 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1760564436 ZJDGVJRGDNAZQR-HXUWFJFHSA-N 435.597 4.570 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861134062 MBLGUBIDCNRYPQ-NBRGKURFSA-N 429.561 4.856 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(=O)n(CC)c1)c1ccccc1 1861227080 DRJFSDTZRWAVSS-DEOSSOPVSA-N 439.600 4.596 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862397842 UDYCZSUBZYAQSG-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Cl)c1 1862446449 SMNCWPYBCJSGOP-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862476183 FAKQZKDFMWPLJZ-QFIPXVFZSA-N 433.529 4.886 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862479226 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IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)CC(C)C)cc(C)c3C2=O)c(OC)c1OC 1871386409 SYDKDVPSIQHFOL-ODLFYWEKSA-N 426.465 4.589 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 1871387079 XSBFTWSDJJGLOO-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871492039 TWWKVIFEWYNYMQ-UHFFFAOYSA-N 449.002 4.562 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871911468 XDGKHQWIYXLIRN-JOCHJYFZSA-N 444.597 4.605 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)[C@H](C)CC)S(=O)(=O)CCCC 1872182986 FBEVRRCUBKLOOR-DENIHFKCSA-N 438.634 4.837 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873647333 WIQRCDNCEDKQJJ-QZTJIDSGSA-N 447.583 4.781 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(OCCC)cc1 1874296558 HLDKHMDYSYUQAH-XQNSMLJCSA-N 437.525 4.726 30 10 IJEE CCOc1cc(/C=N/n2c(SC)nnc2[C@H]2CCCO2)ccc1OCc1ccccc1 1874441522 AQDCNPGDGXGXCQ-FBTHGLLTSA-N 438.553 4.711 30 10 IJEE C=CCSc1nnc(CCCC)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874479290 SRBOJYMFHMGGAZ-UDWIEESQSA-N 439.379 4.648 30 10 IJEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 1874614711 PVYKTMIDKGONFB-SZEUEKNRSA-N 430.460 4.747 30 10 IJEE COCCOCC(=O)Oc1cccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)c1 1874711231 WGRHGBKLMAFFCK-MDZDMXLPSA-N 426.509 4.592 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)CCCSC)c2)c(OC)c1 1874714030 AFVZZQJYTAFBBG-YRNVUSSQSA-N 430.522 4.657 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1F 1875153430 GPGOQCFKHMEKAX-DHZHZOJOSA-N 436.435 4.723 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cccc(Cl)c2Cl)[C@@H]1c1ccc(C#N)cc1 1890577637 ALHRUVJBXGEEOW-PMACEKPBSA-N 448.375 4.897 30 10 IJEE O=C(Nc1cccc(C(F)(F)F)c1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1890945539 UQWWVYWAFAKKEI-UHFFFAOYSA-N 436.331 4.612 30 10 IJEE C#C[C@@H]1N(C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1(C)C 1899917055 YKXPROKSQMROKR-DQEYMECFSA-N 444.575 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)C[C@H](C(C)C)N(Cc2ccccc2)C1 1922074999 SFONGMGVSSQIEK-OZNIXHKMSA-N 436.640 4.789 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCc2cc(Br)ccc21 1922075219 UVFKEUQQHWLFDB-XZOQPEGZSA-N 430.386 4.724 30 10 IJEE C#C[C@@H]1CC[C@@H](NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1965443280 OJGDHTRVLTZXKK-BJZAYRLRSA-N 444.575 4.858 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C#N 1985177851 CUTKWVCOVLIZQO-MHPIHPPYSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1992380508 ALMPRPVZZVRDKP-UONOGXRCSA-N 435.487 4.714 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2020336583 OGEOQCYYKQBXQM-IBGZPJMESA-N 437.625 4.617 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](N)Cc2cc(Cl)c(C)c(Br)c2)C1 2077088078 PHVZRLZLOBQXHP-MRXNPFEDSA-N 429.786 4.894 30 10 IJEE CN(CCN(CCCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1)Cc1ccccc1 2095946532 CYFSCOXECWBPAK-UHFFFAOYSA-N 440.591 4.911 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(C#N)c(Br)c1F 2105998450 PDTRVMZZAKZOAH-KGLIPLIRSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNc2cc(Br)c(C#N)cc2F)C1 2111959972 UTAKTFQLUPUOCF-MXXVBZNESA-N 430.293 4.515 30 10 IJEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)c1ccc(C#N)c(Br)c1 2118194799 OQXLHDPDQWMSIO-UHFFFAOYSA-N 436.272 4.604 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(F)c1Br 2145269798 GZAYJSYCOIMKIT-RBUKOAKNSA-N 428.349 4.951 30 10 IJEE CC1(C)OB(c2cccc(COc3cc(F)c(Br)c(F)c3)c2)OC1(C)C 2148963335 LVQXABGXEKBJRY-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1cc(Br)c(C#N)cc1F 2174770705 ABYBOVYOTXRJBX-SCLBCKFNSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)cc(F)c2C#N)C2(CCCC2)C1 2174810702 PIXNSHIVLACYHI-AWEZNQCLSA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C)C(=O)Nc1ccc(C#N)cc1Br 2181044198 GMFNXJUMOKTMEC-UZLBHIALSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 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C=C([C@H](NCCC)[C@H](O)c1sc(Cl)cc1I)[Si](C)(C)C 2366648709 UMAQCNWOUNFZTG-STQMWFEESA-N 443.854 4.841 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/C=C/c3ccccc3)n2)cc1 21078996 ITQOQXCZJSQBQD-XPIRNMDISA-N 434.569 4.944 30 10 IJEE Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1[N+](=O)[O-] 21255724 CFKJPDHLQRMEGG-FPOVZHCZSA-N 448.519 4.942 30 10 IJEE Cc1ccccc1N/C(=N\C(=O)c1cccc(N(C)C)c1)NCCc1c[nH]c2ccccc12 32943041 RXGICNGWXKXDDV-UHFFFAOYSA-N 439.563 4.983 30 10 IJEE C(=N\Nc1cc(N2CCCC2)nc(N2CCCC2)n1)\c1ccccc1OCc1ccccc1 33665456 OGPCYRFCHBELDZ-DIBXZPPDSA-N 442.567 4.702 30 10 IJEE CCc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccccc4)c3O)c(C)c2c1 38619836 TVJGCIJGRINPRC-UHFFFAOYSA-N 426.472 4.630 30 10 IJEE C=CCc1ccc(OCCCCn2c(CCNC(=O)/C=C/C)nc3ccccc32)c(OC)c1 40203557 HSKPDUOCQLQYPL-VZUCSPMQSA-N 447.579 4.867 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1cccc(F)c1 100263358 OLFJRRSFJADOCP-VKWHMPGMSA-N 426.300 4.723 30 10 IJEE Cc1nc(NC(=O)c2ccc(Cl)cc2I)sc1SCC#N 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170270076 ZJALAIAPJRVVIZ-HSZRJFAPSA-N 437.536 4.742 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccco2)cc1 170291703 NNVQDTZWCWNVII-SIKLNZKXSA-N 439.508 4.606 30 10 IJEE Cc1nc(COc2ccccc2/C=C\C(=O)N[C@@H](C#N)c2ccc(F)cc2F)cs1 208413762 JDMRVKSGXYHDSN-NSDNCLLMSA-N 425.460 4.703 30 10 IJEE COc1ccc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)cc1 254736000 CJZOPPUBEHWKRO-UHFFFAOYSA-N 434.364 4.776 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2F)OC1(C)C 404974265 VNCRSGXUJZCKMM-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 461690195 CHMHKXIAXFEZQV-YLJYHZDGSA-N 435.959 4.574 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(Cl)c1 501319648 HWKSBWNHWSLVJG-QGZVFWFLSA-N 448.914 4.599 30 10 IJEE CC1(C#N)CCN(C(=O)C(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)CC1 505037689 FCPRYDBKOPVCOX-UHFFFAOYSA-N 448.910 4.771 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 519727304 SCOFJZHTIHPTPJ-NRFANRHFSA-N 439.567 4.519 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)c(OC)c1 526520673 IZHGNQOJAZYIPI-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccccc1Cl 530909368 DYXZDSMVMPMPHE-UHFFFAOYSA-N 439.924 4.502 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 543942797 DNXVNVXRJAPZCB-GMAHTHKFSA-N 442.485 4.509 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 549266255 NAMMCPPJNOGROE-NMMYMHLASA-N 442.629 4.618 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[S@@](=O)C(CC)(CC)C1 549658546 XUCRPTSZMHMTMA-PLTNMMHCSA-N 444.645 4.739 30 10 IJEE Cc1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCCCO2)c2ccccc2n1 555491440 RLNIWMGFGBTUTA-IBGZPJMESA-N 430.556 4.501 30 10 IJEE CC(C)N(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 555604100 ZKTMZOQEYVEMGJ-FQEVSTJZSA-N 425.532 4.840 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@]2(C1)OCc1ccccc12 578486558 UECMUJIKFCVEII-RUZDIDTESA-N 434.515 4.598 30 10 IJEE C#CCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686829943 FLBTZTWFOGNJPP-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE N#Cc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(Cl)c1 700340697 BCQLZJHSHYXZAK-HSZRJFAPSA-N 446.890 4.746 30 10 IJEE CC1(C)SC(=S)N(N=Cc2c[nH]c3ccccc23)[C@@H]1N(O)C(=O)Nc1ccccc1 725325935 IESPFPXQTHMWEY-GOSISDBHSA-N 439.566 4.864 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(C2CC2)C(=S)N[C@H]1c1cccc(OCC#N)c1 731432700 KXUFOLOKLIMPFW-NRFANRHFSA-N 437.952 4.636 30 10 IJEE N#C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CCN1C1CC1 732698987 RMDFWNFHQKUJLG-INIZCTEOSA-N 430.430 4.702 30 10 IJEE COc1ccc(CNC(=O)N[C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1C#N 746710672 NKGHHVNVUOTORY-GOSISDBHSA-N 445.519 4.715 30 10 IJEE C#CCN(C(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 774036972 PUVABPXSIRFGGN-QHCPKHFHSA-N 444.556 4.675 30 10 IJEE C=C[C@@](C)(CCOC)COC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 784617930 RWUSBWXKAHDECZ-IBGZPJMESA-N 434.886 4.742 30 10 IJEE COc1ccc(-c2nc(SCc3csc(Br)c3)nc(O)c2C#N)cc1 915794678 OYZILNRUDRMLJU-UHFFFAOYSA-N 434.340 4.846 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc(OC)cc1OC 917612038 CKXAIUCNSPEHNB-UHFFFAOYSA-O 446.552 4.749 30 10 IJEE O=S(=O)(c1ccc(-c2csc(NN=Cc3ccccc3Cl)n2)cc1)N1CCCC1 918758323 OMIBRZVIKNZLGM-UHFFFAOYSA-N 446.985 4.694 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)cc1 1084288420 JXVRYLIMGCGWHC-UHFFFAOYSA-N 430.537 4.833 30 10 IJEE COc1cc(OC)c(N=C2C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1Cl 1084522499 FXBVUJFKALSFRK-UHFFFAOYSA-N 427.932 4.514 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)CC)ccc1Cl 1124205006 JQWZBHQWJIBISG-CQSZACIVSA-N 441.380 4.903 30 10 IJEE C=CCOc1ccc(CC(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc1 1124730756 GGKQVJLAXOQEFJ-UHFFFAOYSA-N 425.916 4.936 30 10 IJEE CC(C)c1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cs2)cc1 1126947778 CBFSOYVYMYXWMB-GOSISDBHSA-N 440.569 4.519 30 10 IJEE C#CCN(C(=O)c1cc(Br)c(OC)c(OC)c1)[C@@H]1CCCc2ccccc21 1134315878 BTAUVJFQUYYPIX-LJQANCHMSA-N 428.326 4.619 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)CN(C(=O)OC(C)(C)C)C1 1136258456 ZNIZJMHVGXVCBW-UHFFFAOYSA-N 427.476 4.765 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 1202462459 ZAVLFIZXFWRNKJ-UHFFFAOYSA-N 434.928 4.995 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c3ccccc3)cc2n1 1209592017 ZRELLHJVMFFWPY-VWLOTQADSA-N 434.540 4.643 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 1221092931 MQRYOTBOETZADI-FQEVSTJZSA-N 446.364 4.560 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)c1ccc(Cl)cc1F 1227018621 YTLHGOLZPMKVRQ-FCHUYYIVSA-N 427.951 4.753 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C 1229110544 SCQBBDLRRHWVAU-HNAYVOBHSA-N 427.358 4.737 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(C(F)(F)F)ccc1Br)c1ccc(F)cc1 1252438895 HBJCKPIIJKZLFG-INIZCTEOSA-N 429.211 4.781 30 10 IJEE C=CC1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)CC1 1265169530 GLLCEUWYQKAWOZ-RSXGOPAZSA-N 432.564 4.913 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 1265258677 GJIDIWVSAKWWSB-MRXNPFEDSA-N 437.341 4.577 30 10 IJEE C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1268941090 HGFNCGNATPBJTC-HOCLYGCPSA-N 429.948 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCSCc1ccc(C)cc1 1286281628 IPGHNQDIEJVXOD-QGZVFWFLSA-N 425.989 4.693 30 10 IJEE C#CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCCC(=O)NC 1286317337 OPIZWJCXIUVRFO-UHFFFAOYSA-N 444.004 4.579 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(OC(F)F)c1 1286556366 CIXWGTXSGBQDSL-GHTZIAJQSA-N 434.531 4.696 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1286644197 MTPUANRFRCHCOV-QGZVFWFLSA-N 430.325 4.903 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1 1286687861 NOEXLQOSWPPKDY-UHFFFAOYSA-N 425.621 4.696 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC)C1 1286701130 RMRBAIOKGSTHER-IBGZPJMESA-N 434.588 4.658 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1286713958 JBWKPWCKQGPRFD-BGYRXZFFSA-N 426.605 4.840 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1cccs1 1286714868 USYBKCPEGBXAOW-WZONZLPQSA-N 426.586 4.626 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC1C[C@H](C)O[C@@H](C)C1 1286749695 CPBJQJMCYIQEJI-OALUTQOASA-N 437.613 4.722 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)OC(C)(C)O2 1286762703 KHGWHKSJEFHHHO-UHFFFAOYSA-N 436.556 4.959 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(F)c1 1288513128 BYGLHXNCBOPRID-CYBMUJFWSA-N 448.365 4.889 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCC=CO1 1296453780 MGLVCSFQNIOKNO-CLOONOSVSA-N 446.547 4.669 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1296463007 LIPYFRAYYJBPCU-BVAGGSTKSA-N 434.536 4.572 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)C1CCCCC1 1300284931 VWKCMQJTIUOWKO-RTBURBONSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCC[C@@H]1C 1300286888 PBQQVUGJMGGFLG-IRXDYDNUSA-N 434.415 4.974 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](CC=C)c1ccccc1 1300475871 AYYBRRBSRMVMLX-VXKWHMMOSA-N 449.599 4.779 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CC1(CCOC)CCCC1 1300647643 HPHPTAWOYZRLFT-UHFFFAOYSA-N 435.547 4.649 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(C)c(OC)c1 1300790425 QEJWJJFOTGRQRF-XMMPIXPASA-N 435.959 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(O)CCC 1300907342 ZMDBIXHHKHEFGI-FQEVSTJZSA-N 439.373 4.800 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)CC1 1301119741 UVWBEDVRWBJEEU-NRFANRHFSA-N 432.597 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1301158392 DELNPFOPECVHEK-JOCHJYFZSA-N 449.643 4.703 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1301257516 AKMHFEVZEJHQCC-FQEVSTJZSA-N 432.996 4.691 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@H]1C(=C)C 1301308261 CLGAKTFZTBRBTM-YWZLYKJASA-N 437.371 4.767 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@H](C)C1)C(C)C 1301366622 GIKJYWJXLGDHFX-ZDXQCDESSA-N 437.632 4.566 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1301623314 MATJYQRACRGHBZ-QGZVFWFLSA-N 444.498 4.843 30 10 IJEE N#Cc1c(NC(=O)c2ccccc2Sc2ccc(Br)cn2)n[nH]c1C1CC1 1302306188 DODQRBJAWUWUQO-UHFFFAOYSA-N 440.326 4.720 30 10 IJEE CSC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1302511763 AESPPUWWLDVHKD-JLTOFOAXSA-N 437.972 4.655 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(F)cc1F 1309311827 CSPMVORVGKEQBA-KRWDZBQOSA-N 443.313 4.665 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)c1 1310004640 UAYXZATVCUJXGW-OAQYLSRUSA-N 435.524 4.502 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 1310624477 LKFZBKSVHWDKLH-UHFFFAOYSA-N 428.374 4.917 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1ccc(F)c(F)c1F 1310862691 RTHBPGCFJMTCEN-UHFFFAOYSA-N 429.236 4.795 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 1313001292 JKRHCKLKVQFSIS-WMZOPIPTSA-N 435.366 4.585 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1354173694 HNVHADKTLCGFGU-NRFANRHFSA-N 442.478 4.590 30 10 IJEE C=CC[C@@]1(C(=O)NCC2(c3ccccc3C)CCOCC2)CCCN1C(=O)OC(C)(C)C 1356003483 FPDRUGSWMYNPLX-SANMLTNESA-N 442.600 4.505 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 1357743948 LNVICPNMIRJOCV-LFRSYBKYSA-N 436.983 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCSC1 1358872853 ZKORYVXOOYCXJJ-KSZLIROESA-N 433.021 4.899 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1358980267 PCMYWJSOINBXNZ-HKUYNNGSSA-N 434.893 4.889 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC1(C)CCCC1 1358990437 OEIGXQQYUGNIMR-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1CCN(CC)CC1 1359004421 VNVYSWFBOLASCH-UHFFFAOYSA-N 434.415 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2F)C1 1359100326 ZYPRQYVOIIMFPP-HARLFGEKSA-N 442.579 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)NC1CCCCC1 1359108083 BMCJUCKZLJDDHZ-UHFFFAOYSA-N 446.599 4.653 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCC[C@H](C)C1 1359111792 NIMZXPFNXZVBRF-FQEVSTJZSA-N 434.588 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1Cc1ccc2c(n1)CCCC2 1359116717 WCBNWLTVFVZPLX-UHFFFAOYSA-N 447.583 4.590 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359118871 ITRVEQINRXAGLC-KXBFYZLASA-N 431.378 4.596 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccsc1 1359128512 WHTRDGRNCAZOGY-FQEVSTJZSA-N 439.541 4.849 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(C)C)CC1 1359154864 FUZBPQUTDUQEID-UHFFFAOYSA-N 446.039 4.828 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC=C(C(F)(F)F)CC1 1359203176 JVIJDXDPOVRFGD-IBGZPJMESA-N 434.462 4.846 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1359213338 RXYAYAZZXHKBGP-UHFFFAOYSA-N 447.974 4.900 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCC(F)(F)C1 1359273609 HWDCIKXHFXPETP-LJQANCHMSA-N 440.542 4.911 30 10 IJEE C#CCN(C(=O)c1cc(F)c(Cl)cc1F)[C@H]1CCOc2ccc(Br)cc21 1360556785 CWIBHLFXSFHRJN-KRWDZBQOSA-N 440.671 4.980 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 1436641538 SKKBHJWVLFCNND-MRXNPFEDSA-N 446.341 4.942 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(N[C@@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc2n1 1439617578 LRJLZLVNIMQXLH-INIZCTEOSA-N 442.479 4.951 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 1446790490 DXRZPLWZFKTASC-AZUAARDMSA-N 430.593 4.957 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1)C(C)(C)C 1450591077 DOGKOAZGFTXGSC-JOCHJYFZSA-N 440.609 4.871 30 10 IJEE C=C(C)[C@H](NC(=O)c1nnn(-c2cccc(Br)c2)c1C)c1ccc(F)c(F)c1 1459189895 ZTZZNSHTJREOBN-SFHVURJKSA-N 447.283 4.664 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1 1461528505 DFYUFWYCECKUOO-BTYIYWSLSA-N 427.342 4.835 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3cccc(NC(=O)c4cccc(F)c4)c3)cc21 1467381093 ZCYDQOJXOFEYIB-UHFFFAOYSA-N 443.482 4.935 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1 1469491585 PESXOLVCXBFSOD-IEBWSBKVSA-N 449.448 4.957 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H](C)CCc1ccc(I)cc1 1470034512 JUHGWKXPCDZJST-HNNXBMFYSA-N 428.358 4.904 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1470787462 XBANGTQCMXCZRA-BVYCBKJFSA-N 427.589 4.783 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1472275714 RQRNPEXEZKNGFC-VPTFNQTCSA-N 434.602 4.899 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 1472628792 PYIRMKLYSGEGCF-HNNXBMFYSA-N 439.364 4.893 30 10 IJEE C=CCCn1cc(CN[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)nn1 1474164476 RMQIWTKLBKYFNR-IBGZPJMESA-N 427.549 4.593 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1C(F)(F)F 1476211038 BEIJLSJVTKTTBQ-SFHVURJKSA-N 431.414 4.772 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1 1476406104 FGAZDHGVCNFHAY-UHFFFAOYSA-N 439.556 4.853 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3ccccc3F)CC2)cc(OC)c1OC 1477657639 KPYBDVDWZDSICG-UHFFFAOYSA-N 426.532 4.736 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)c1ccc(F)c(F)c1 1478472825 VEIZFLUFSZHEIN-AEFFLSMTSA-N 441.247 4.917 30 10 IJEE C=CC[C@H](CC)NC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1478537469 BZYRQHMQDLDGLI-FBKCMUNRSA-N 442.368 4.684 30 10 IJEE Cc1ccc(Cn2c(Cc3cn4ccccc4n3)nnc2N(CCC#N)CCC(C)C)cc1 1492198513 AWHBDVIKCXMOKC-UHFFFAOYSA-N 441.583 4.640 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)SC)[C@@H]1CC[C@H](C)C1 1504860306 FXNLURKIQLLOBE-FXAWDEMLSA-N 427.618 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(CC)CC 1507526453 HNJFAULQLGSMON-FXAWDEMLSA-N 425.964 4.733 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(CCC)Cc1ccc(F)cc1F 1507589206 HEGQLWWRUDHGAV-UHFFFAOYSA-N 429.540 4.742 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@H]1CC 1507746578 ABRWGLUEYMDOIY-MAUKXSAKSA-N 433.419 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCC1 1507812480 MKQWXVHSXWUIIK-LJQANCHMSA-N 432.012 4.960 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2Cl)CC1 1507915928 HFDDDPNHHXLCDQ-IBGZPJMESA-N 444.023 4.754 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](F)COC 1508006207 MDCWDCVGLZHLLA-QKNQBKEWSA-N 448.558 4.513 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1508050768 KSCQTFQOUGOQRF-LEWJYISDSA-N 428.577 4.567 30 10 IJEE C=CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccc(OCC)cc1 1508068257 WLMXMJBPYGJZCX-RDTXWAMCSA-N 430.459 4.523 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1)[C@H]1CCCO1 1517656892 NZUVCRBXQXEEPP-ZWKOTPCHSA-N 448.375 4.672 30 10 IJEE C=CCCCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 1518517226 PQGQLTHDUULEHR-ILBGXUMGSA-N 436.552 4.661 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2OCC)nnc1-c1ccco1 1518666395 CQLDQEQWZSMBHV-UHFFFAOYSA-N 432.933 4.897 30 10 IJEE N#Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)nc2O)c(Cl)c([N+](=O)[O-])c1 1526560198 IJSDKLVIHNAVJT-UHFFFAOYSA-N 429.219 4.793 30 10 IJEE CC(C)N(CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(=O)OC(C)(C)C 1527503261 DHWFGHIPSDCJLM-UHFFFAOYSA-N 439.531 4.872 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2ccn(CCn3cccn3)n2)cc1 1528888017 DCJILNGOMGRCBR-UHFFFAOYSA-N 448.939 4.708 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)CCCc3cc(Cl)sc3Cl)c2C#N)C1 1533469587 CRVJEZHINOSWKD-UHFFFAOYSA-N 442.393 4.854 30 10 IJEE C#CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nccs1 1533904376 NQJPARHMQSESNQ-UHFFFAOYSA-N 432.936 4.858 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccn(CCc3ccccc3)n2)cc1 1534329613 BLCDFJJCVRZAAO-UHFFFAOYSA-N 438.506 4.979 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)c1ccc(Br)cc1 1535484063 VYHQGDLBCLCMQA-RDJZCZTQSA-N 449.142 4.568 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)C(C)(C)C)cc1 1537697905 VTEMXJQDBRUYIT-HSZRJFAPSA-N 444.522 4.924 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2[C@H]3c4ccc(Br)cc4C[C@H]32)cc1 1537824767 DSBJRWJUMVKWGN-BAGYTPMASA-N 440.337 4.983 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1)c1ccccc1 1537974274 DOIOMOXTLCIFRL-NVQXNPDNSA-N 448.607 4.827 30 10 IJEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 1539134423 WPLCDCIZQQLLHM-UHFFFAOYSA-N 431.565 4.588 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC1CCC(C(F)(F)F)CC1 1539291761 XTNSSAYWWYXWSP-UHFFFAOYSA-N 444.501 4.607 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1539498993 AGANJLPOOXRMNP-QFBILLFUSA-N 445.430 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCc1nccs1 1539538090 BTLJUUQFXQOJFR-UZUQRXQVSA-N 439.560 4.639 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C)CC1 1539620694 MTMFVHBPHKMBJR-MDZRGWNJSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C[C@@H]1CC 1539636728 LYMAVEFNMWQHEC-FXKZBUDASA-N 430.543 4.753 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C 1539712324 YFTFTBBPVXHMDG-SFHVURJKSA-N 432.996 4.831 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2c(CC)nn(C)c2CC)CC1 1539831519 JKWGOXOXQUINKJ-OAQYLSRUSA-N 432.616 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1539921102 RAVQNKMDMKHTFX-SFHVURJKSA-N 427.593 4.541 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 1539921263 TVKOZEFHZHLCCI-SQJMNOBHSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1539971678 OGKRRSWUZCMNFA-UHFFFAOYSA-N 441.645 4.699 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCO[C@@H]1CCCC[C@H]1C 1540142601 MQGNHXZGQCQJGU-WIYYLYMNSA-N 440.617 4.528 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCc1ccccc1C(F)(F)F 1540198876 RRNNGKAIVQBAIV-UHFFFAOYSA-N 445.489 4.549 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2coc(-c3ccc(C)cc3)n2)C1 1540893133 XUBJDGODNBQNPW-OAQYLSRUSA-N 435.572 4.660 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 1543530395 UGFGDYYZPUWFFL-UHFFFAOYSA-N 440.515 4.784 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 1543752500 LZHFBGZEAHPJBC-UHFFFAOYSA-N 437.805 4.861 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OCC 1544344866 MMENZGWNWFNKRD-LBPRGKRZSA-N 449.750 4.780 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 1556558076 KLRDALRMVJVQLF-JOCHJYFZSA-N 434.939 4.696 30 10 IJEE CC(C)c1cccc(-n2cc(O)c(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)n2)c1 1558971288 HUTNICWUYRARLJ-UHFFFAOYSA-N 430.386 4.724 30 10 IJEE COC(=O)c1scc(C)c1NC(=O)[C@H](C)N(Cc1ccc(C#N)cc1Cl)C(C)C 1560113237 BYVHYPGOSGLDMX-AWEZNQCLSA-N 433.961 4.606 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 1561504436 BRYNJQIEXJPFHD-UHFFFAOYSA-N 446.153 4.595 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(Cl)cc1SCCC(=O)OC 1563163375 IGICIAWAGHDOHY-UHFFFAOYSA-N 436.892 4.790 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1563430019 YWXDRDZQFCJTNO-PGRDOPGGSA-N 445.966 4.639 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1564188444 HIFDKIDYKHSPOD-NRFANRHFSA-N 432.561 4.610 30 10 IJEE Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)NCC1(C#N)CCC1 1564307884 BYFFVRIDRQYEKS-CYBMUJFWSA-N 433.375 4.935 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1564913344 JWFLMYMEMCDVFK-RTWAWAEBSA-N 429.605 4.899 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4ccc(OCC)cc4)cs3)n[nH]2)c1C 1585266635 XAZIQSWZHJITJA-UHFFFAOYSA-N 448.552 4.851 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)c1ccccc1 1586027907 TVECGEWIBMYSBW-FIULFEFGSA-N 425.550 4.752 30 10 IJEE COc1cc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c(F)cc1C#N 1587092161 IFRYBFAYXIMUES-UHFFFAOYSA-N 446.301 4.773 30 10 IJEE C#CCCOc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1 1587864439 RCPFDGINSZGWSJ-SANMLTNESA-N 430.592 4.852 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1589096423 CMUGXZQHCSASLC-IBGZPJMESA-N 426.611 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)CC(C)(C)C1 1589559450 RPOFACZQDMFDII-DPLHUUCSSA-N 438.616 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2Cc3cccc(Br)c3C2)nnc1C(C)(C)C 1589579095 JOLDIVOZKHFSNS-LPHOPBHVSA-N 445.405 4.840 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 1594122484 QMUVGVNKFMYUDJ-SANMLTNESA-N 438.616 4.560 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1594608801 XECQMQHSXLVBFC-RTBURBONSA-N 434.588 4.514 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCCCCC2)C1 1594703664 MBOHJJTUZVQJHV-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1sc(C)nc1C 1594857006 HXSLFRHAJSFMQQ-GOSISDBHSA-N 425.602 4.973 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1 1595120041 KVVZNGPATXYCLX-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1595296446 FTOZKLREJBMWIA-UNMCSNQZSA-N 443.661 4.719 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCc2coc(-c3ccc(C)cc3)n2)C1 1595675062 XEVCMKDDVYUAHM-NRFANRHFSA-N 435.572 4.563 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(CC)CC)cc2)C1 1595728729 DAQHAGDMPFORDH-JOCHJYFZSA-N 425.621 4.543 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1597190730 LJHSIZXVTYXHDL-WIYYLYMNSA-N 431.363 4.902 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CCCS1 1611807348 ANCAHDLXNYTERM-DNVFCKCGSA-N 431.650 4.612 30 10 IJEE CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)S/C1=N/c1ccc(C(=O)O)c(O)c1 1614234047 BAPYZQIJTDILHF-LRRLUYNPSA-N 428.897 4.837 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 1625564994 WQTKTPRFKCLFNA-KRWDZBQOSA-N 435.883 4.987 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(-c2ccccc2)nc1C 1626554142 QPJYWHZHWQOBFU-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(O)(c3cccc4ccccc34)C2)s1 1628070015 SBUYOWKZMUSXAF-UHFFFAOYSA-N 445.009 4.722 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccccc2OCC)CC1 1628427848 ULUVEIGQIICMER-UHFFFAOYSA-N 434.458 4.631 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1 1628761827 AFYXLOKFODBJLL-RMKNXTFCSA-N 448.057 4.696 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(-c2cccc(Cl)c2)cc1O 1629601242 QZXZNDNDNGNSTI-UHFFFAOYSA-N 448.704 4.811 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)CCSc3nc4ccccc4s3)CC2)c(Cl)c1 1634228379 BSUBEODPJHICCF-UHFFFAOYSA-N 442.997 4.652 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 1636613582 QNWVLGPQCNVQME-UHFFFAOYSA-N 427.426 4.696 30 10 IJEE C=C(Cl)C[C@@H](Nc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)C(=O)OCC 1640272649 UXSHAUBLMSYODX-CQSZACIVSA-N 440.718 4.584 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCCc1ccc(OC(F)(F)F)cc1 1656154493 LFZHMGMKLPCVAG-UHFFFAOYSA-N 440.535 4.726 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2COc3cc(F)cc(F)c32)cc1OCC 1657156418 QRZTULYCBCIYQV-INIZCTEOSA-N 440.284 4.914 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 1660840135 HJDALNRAQYFWRV-FDDCHVKYSA-N 447.535 4.618 30 10 IJEE CC#CC[C@H](CO)NC(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1668454371 FKDSQSNAGGTGMM-CQSZACIVSA-N 437.721 4.791 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(OC)c1Br)c1ccc(Br)cc1 1669134497 HTTUVRAKFUPTBK-ZDUSSCGKSA-N 438.119 4.716 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c(C(=O)OC)c1C)c1ccc(Cl)cc1 1669674583 AVIUQUYTACVTNQ-HNNXBMFYSA-N 435.705 4.694 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1 1670499650 URLIAYNBYRHNKL-HXUWFJFHSA-N 428.916 4.622 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ncc(-c2ccccc2)o1 1672708951 XODWWFCPEZLXCY-UHFFFAOYSA-N 428.286 4.991 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](CC(=O)OCC)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1673369854 LDGVECIQQFZHNQ-LSDHHAIUSA-N 440.384 4.896 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1 1673393933 UHTRXFWTCJECCB-HSZRJFAPSA-N 439.581 4.567 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl)C(C)C 1674145961 WDLTUPOLMHTHTQ-ZWKOTPCHSA-N 426.388 4.815 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(C(=O)OC(C)C)CC1 1674202327 IETOPGZVVDXZPZ-UHFFFAOYSA-N 435.524 4.641 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)c(I)c2)CC1 1674473219 FHVQFYBUADEGCO-XYPYZODXSA-N 436.215 4.624 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](CC(=O)OC)c3ccc4ccccc4c3)cc21 1674679533 NGGXNOYLRNVIPO-QFIPXVFZSA-N 428.492 4.801 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1ccccc1 1675603650 JVUYAZHDYXECFI-QFIPXVFZSA-N 430.552 4.733 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)c1ccc(F)c(F)c1 1681957443 ILQODGKNSKFTEX-XZOQPEGZSA-N 431.527 4.973 30 10 IJEE C=CCC1(CNC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCCC1 1686428494 BZFROZSIWHWIGE-NRFANRHFSA-N 427.589 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1689829120 VDNCRGFAQYFZPK-JKSUJKDBSA-N 441.576 4.817 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1cc(Cl)ccc1OC(F)F 1689856062 IPAYRAWUPISZOX-ZDUSSCGKSA-N 436.915 4.691 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1689926694 VYSSAZVOMDGZLP-RUZDIDTESA-N 433.556 4.655 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1689934450 WVLLFEBHSGOERW-FQEVSTJZSA-N 444.963 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(C)[C@H](C)Cc1ccccc1OC 1690235617 BPLBDRQYZXXHRR-KPYOPSEVSA-N 426.605 4.849 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1690473724 FJBQMNQZAYAKPQ-IBGZPJMESA-N 436.560 4.810 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1690503122 QSZHLBPNGOSYIK-IBGZPJMESA-N 441.938 4.719 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccccc1Cn1cccn1 1690603437 BEMAEMXRYQFALZ-UHFFFAOYSA-N 444.583 4.697 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCC1(F)F 1691001183 DVPKLJXGWQFUIG-IEBWSBKVSA-N 439.514 4.552 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)CC1 1695370684 CCTDZDJVBQPGAO-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1cccs1)C1CC1 1705525713 SCRBSULNOAJNAQ-UHFFFAOYSA-N 430.375 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1 1705671163 YHTARLRKDVSHEF-YADARESESA-N 426.008 4.711 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705688974 BGQDILKAOCOMJP-UHFFFAOYSA-N 444.352 4.727 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)c(C)c1 1705696301 MUDJMLSPFUXCOE-NZQKXSOJSA-N 436.556 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)OC1CCCC1 1705710295 WVDCGHQRLNRXQU-RDPSFJRHSA-N 440.588 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCN1CC 1705714089 DFKRXLRQLKSZCP-OAQYLSRUSA-N 434.588 4.877 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1705758057 IUTGKYYYJNXHJR-LJQANCHMSA-N 429.977 4.759 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1705771305 ODUHSLXAMPAWTA-QFIPXVFZSA-N 437.613 4.686 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCOC[C@H]2CCCO2)CC1 1705778580 BMZMOBHCCPSBHJ-LJQANCHMSA-N 430.980 4.587 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCCC(C)C)CC1 1705781076 OYENCVDFINXGNB-UHFFFAOYSA-N 439.604 4.612 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)CC1 1705785538 MBUKMJUPPLPIDP-NJYVYQBISA-N 441.620 4.808 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 1705796012 WVOBYUKYCMUXLQ-HXUWFJFHSA-N 449.559 4.708 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1)c1ccccc1 1705797575 YNLNOBCHRPGNMT-RLLQIKCJSA-N 436.522 4.993 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1705801891 VCJTYHLTROCVQQ-UHFFFAOYSA-N 425.621 4.868 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1705818026 YKZIKORZLTUOQJ-PXNSSMCTSA-N 434.943 4.509 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1C2CCC1(C)CC2)C(C)C 1705867552 PUHPFISUHLUCES-YCIYHOANSA-N 427.637 4.740 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705872521 ALNYSQOHNAPHSF-NHCUHLMSSA-N 430.600 4.792 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@H](CC)C1 1705944454 HUOUPLPCZZYONJ-GOSISDBHSA-N 425.627 4.744 30 10 IJEE CC(C)SCCn1c(C2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1706715093 HLGPILRTXOZSPC-UHFFFAOYSA-N 439.629 4.997 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722310921 PVMTXARRXZGUEW-GOSISDBHSA-N 438.963 4.553 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@H](C)C1 1722338277 GSMAAHQRYZIBDO-GOSISDBHSA-N 433.021 4.607 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCCCCSC 1722347467 ZHOOMYRMDSIWJR-UHFFFAOYSA-N 427.437 4.762 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1722462545 WAINFGRRQHJGFG-RXVVDRJESA-N 426.630 4.829 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1722464699 PJACHTKHGWNXFC-IOMROCGXSA-N 444.620 4.900 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722505185 IXQZKBMIPJJZDZ-UTKZUKDTSA-N 443.954 4.694 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@](C)(O)CCC)CC1 1722560504 BLRPHEPKQUYTHU-HXUWFJFHSA-N 437.357 4.554 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722577887 SRWBEXPZRYJJDN-WIYYLYMNSA-N 443.636 4.984 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C)CCOCC2)CC1 1722583363 UCWMJYKKCKPBQB-UHFFFAOYSA-N 430.980 4.730 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCOC[C@H]2C)CC1 1722583807 YZKJSWAKTBXDFB-QUCCMNQESA-N 442.629 4.654 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(Cl)s2)nnc1[C@]1(OCC)CCOC1 1722593218 KGBMIUIZORZMPJ-NRFANRHFSA-N 439.025 4.884 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C)[C@@H]2CC)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1722596075 BPPKRBHLNIGGQT-VBZBYZBJSA-N 438.616 4.915 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1722610689 BXZHWDUMOSFCJS-GOSISDBHSA-N 425.577 4.995 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(Cl)=C(Cl)C1 1722625069 KIKDGOWRXMDFOZ-UHFFFAOYSA-N 444.366 4.985 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1722652716 NIYDMIUTFDZABV-OALUTQOASA-N 428.024 4.798 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CC2)n1Cc1cc(C(C)(C)C)no1 1722654052 IFOSHLZDZFXJCR-UHFFFAOYSA-N 435.572 4.766 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCCN1CCC[C@H](C)C1 1740536092 ZCPFMLBWMHBMPF-ACRUOGEOSA-N 441.595 4.527 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740584544 HRHVGZMEDLPNJN-CTNGQTDRSA-N 448.571 4.524 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(SC)CC1 1740631039 NZPIADONOKYOSD-SFHVURJKSA-N 443.016 4.657 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)Nc1ccccc1 1740664498 SLJPLUACUKPFKP-SFHVURJKSA-N 447.608 4.620 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CC=CCC1 1740665341 YTPYGZRZBOQJLR-UHFFFAOYSA-N 435.572 4.534 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC2(CCCCC2)O1 1740682666 FMPIFZNMZCWRNQ-LJQANCHMSA-N 442.991 4.566 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC(C)=C(Br)C1 1740790587 KBHNRJQJXQPDGU-UHFFFAOYSA-N 435.341 4.556 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1740795703 AYKDUIZUWIMCAW-UHFFFAOYSA-N 431.584 4.769 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740802448 LPDPDBNAQNTANE-YEWWUXTCSA-N 425.360 4.685 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2nccs2)CC1 1740835056 CAOVMAYTGPWDQA-CYBMUJFWSA-N 447.406 4.698 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H](C)N2CCCCC2)CC1 1740835787 OUTPSPMTEQKATB-IBGZPJMESA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740849919 ALSLWTQGDGGCDV-OAQYLSRUSA-N 427.662 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCCN1CCCC 1740893517 MPKMJUOFSJLQHI-OAQYLSRUSA-N 433.604 4.612 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@@H](C)C1 1740915064 SYAIZABVWYIACM-SFTDATJTSA-N 444.583 4.553 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCOC2(CCCCC2)C1)C(C)C 1740924035 CTACLYHMCUQZIR-QFIPXVFZSA-N 429.653 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(CC)CCOCC1 1748876573 LKQSDARDKSARLA-UHFFFAOYSA-N 445.394 4.922 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1749214330 XLLJWBSXQIAMAV-MOPGFXCFSA-N 448.608 4.872 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1749260874 FBVLZGNYQQPXLA-QFIPXVFZSA-N 434.968 4.500 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2C(C)C)CC1 1749347627 RJDMWRNKJMPEGM-SLFFLAALSA-N 429.609 4.970 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C2CC2)CCC1 1751098274 CQCSVDLIRAAVHV-HKUYNNGSSA-N 442.608 4.669 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1c(C)noc1C 1760130341 IBUVNRNVVRUVHV-UHFFFAOYSA-N 442.361 4.752 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H](C)c1nccs1 1760141352 RETWWPMPINCFAF-LJQANCHMSA-N 432.597 4.781 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760282638 LIUFZPTXWGICNL-RHSMWYFYSA-N 442.938 4.523 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@H]1C 1760304063 HWYOFMOXOUKCDL-DGCLKSJQSA-N 440.183 4.851 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1760315159 AXBFMLVLZQTQDW-IIMDRIAPSA-N 443.979 4.791 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1C 1760320059 VZHXMLSOOXFLIU-VCBZYWHSSA-N 449.368 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760321371 FWERPNQUWVEZQC-KSSFIOAISA-N 443.539 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1760340787 ODNQRDLLYDELTQ-UXHICEINSA-N 429.584 4.519 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1760399065 XPWXTRDNTAUIAF-MRXNPFEDSA-N 444.421 4.593 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cccs1)c1ccccc1 1760417099 VMUVVPQUMFUGMT-NRFANRHFSA-N 449.624 4.962 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1C 1760478970 YPDWJNARFPXWGI-NFBKMPQASA-N 431.584 4.901 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1CC(F)(F)Br 1760497183 VBGRADILCXQVTH-UHFFFAOYSA-N 441.320 4.640 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)C)CCS1 1762503512 BNUCTFILAXRRFK-FQEVSTJZSA-N 427.618 4.600 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)C1 1766461601 HITYWCDRPPBMKZ-FQEVSTJZSA-N 435.597 4.682 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)C)C1 1766795397 IBRGYQWXXCKUHC-NHCUHLMSSA-N 427.618 4.600 30 10 IJEE N#CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1770744174 HDLGHEAZLMFVRV-OKZBNKHCSA-N 425.499 4.628 30 10 IJEE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772747666 NRBIPXKPRWBYLY-UHFFFAOYSA-N 434.452 4.910 30 10 IJEE COc1cccc(/C=C/C(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)c1 1858906163 YVDNVPBOABRYMO-JLHYYAGUSA-N 427.460 4.507 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1C#N 1860660359 WXIINUJBMSFAGN-CYBMUJFWSA-N 431.508 4.686 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 1862474213 LFVQHKFPSORMKI-QHCPKHFHSA-N 431.463 4.791 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862511828 QWBOPXABWCBECG-QKKBWIMNSA-N 427.472 4.615 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538824 QOJMLOZINRWORZ-IBGZPJMESA-N 434.319 4.781 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(Br)ccc1F 1862567414 RURZNCHOIBQLRW-ADLMAVQZSA-N 447.304 4.547 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2)cc1OC 1862576225 PKPRRHHGWDOPGL-QFIPXVFZSA-N 449.528 4.586 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862602294 YXYUNOOIAWOLAL-JOCHJYFZSA-N 439.508 4.566 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)ccc1O 1862677462 FMBGGCWDFQKLRI-CMJOXMDJSA-N 447.462 4.879 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 1862748527 DHFNXEBDUJZLHH-LJQANCHMSA-N 438.436 4.574 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3F)C2=O)c1 1862936381 KJJRZZFTARBZRT-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2cc(N)ccc2Cl)c(Br)c1 1866096837 MLTHVSZOLLDAAS-UHFFFAOYSA-N 429.499 4.571 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(F)cc2)c(CN2CCC(CO)CC2)cc1=O 1870410695 BGNLRDXLNMLACJ-UHFFFAOYSA-N 444.591 4.589 30 10 IJEE Cc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)ccc1[N+](=O)[O-] 1871373480 IUOQMFJLXQGRLM-NHDPSOOVSA-N 446.371 4.647 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1872018302 GFDCSRNKMZAQJZ-JOCHJYFZSA-N 428.598 4.968 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)cc1 1872099881 FJRXOEJDDKYBQR-QHCPKHFHSA-N 439.581 4.706 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(C)(=O)=O 1872144524 CTVPSIOXSNYSJD-JOCHJYFZSA-N 429.586 4.621 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1872290361 KQHAQBXQPSYOQA-HYBUGGRVSA-N 442.625 4.858 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NS(=O)(=O)c1cc(C)c(C)cc1OC 1872613146 LXLLDAJIDXZHNU-HXUWFJFHSA-N 440.650 4.626 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 1872771363 SFMRCQBEEZZJIR-IUYMFKLXSA-N 448.500 4.504 30 10 IJEE COc1ccc(C(=O)[C@@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872788139 DWDUQZBLNYENEW-OAHLLOKOSA-N 428.897 4.979 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N(CC)CC)ncnc2n1CCOC 1873591596 UWBKKLWQQWVPNY-UHFFFAOYSA-N 431.625 4.794 30 10 IJEE COc1ccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)cc1OC 1874242695 TXSDZDCUVCIREY-ZVHZXABRSA-N 426.586 4.658 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2[C@@H](C)c2ccccc2)cc1 1874401812 WSNWPKKWUINZPN-CPUXBYDOSA-N 436.581 4.912 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2cccs2)c(O)c1 1874421296 FHRHICHLLOAXKI-SSDVNMTOSA-N 426.498 4.731 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccccc1F 1874488316 QEEQXPUCMDHQNF-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccccc1F 1874495360 HIQOOWBMXDXCKM-DHRITJCHSA-N 437.544 4.915 30 10 IJEE COCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccc(Br)c1 1874499655 XFDMDVPYLGXRAT-UFFVCSGVSA-N 435.322 4.501 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)c1 1874530081 QEIBQBAIBPJQJX-LSHDLFTRSA-N 434.352 4.815 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C 1874576973 PHKGZQDRTFLOKV-FOCLMDBBSA-N 431.488 4.926 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 1874603171 LCBQFKJEXMVKLX-UKTHLTGXSA-N 432.476 4.891 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccccc1F 1874707616 NMWOZLDOAWVDPD-RMKNXTFCSA-N 434.419 4.607 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c([N+](=O)[O-])c2)cc1 1875106450 UDPPOEHMLNBWNK-YRNVUSSQSA-N 431.448 4.843 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] 1875116536 GRYNEZPOEPDTKP-WLRTZDKTSA-N 432.388 4.927 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)CCOC 1875176604 LLQUNDZQYHUCGI-RMKNXTFCSA-N 448.899 4.594 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OC(=O)COC 1875188708 FZHISKYQDJMOEC-FNORWQNLSA-N 439.291 4.849 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 1886450409 WWWSWDJIAQYOOZ-MOPGFXCFSA-N 429.561 4.961 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)C[C@H]1CCCN1C(=O)OC(C)(C)C 1922085875 MADXVWDIJMQVFX-UMFSSWHCSA-N 446.632 4.668 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 1941498900 ZHXMYEGFPOOHDR-MWTRTKDXSA-N 431.533 4.728 30 10 IJEE Cc1cc(C#N)ccc1[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 1952854109 PZYDXIRNYKINDC-IGKIAQTJSA-N 438.483 4.705 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 1983329117 GLGBCRLUTDTDCB-LVCYWYKZSA-N 429.479 4.556 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)CC1 1984690662 NQLWKMPXDOHROV-UQBPGWFLSA-N 445.563 4.702 30 10 IJEE N#Cc1c(Br)cccc1N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 1998963431 MSHORBFJEGBBLM-MRXNPFEDSA-N 442.235 4.590 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CCC12CCC2 2057365608 ITNGVXYUEKWLQP-HOYKHHGWSA-N 449.592 4.618 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)c(F)c1 2080039654 XSHNBWRPHBSLDM-KRWDZBQOSA-N 439.272 4.630 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCN(c3cc(Br)c(C#N)cc3F)CC[C@@H]2C1 2174810860 RAQMSMAIUGIJHC-ZIAGYGMSSA-N 438.341 4.543 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2181055535 JBCLKNCSNZLFNN-KRWDZBQOSA-N 439.821 4.788 30 10 IJEE COc1cc(Nc2cc(Br)ccc2I)ccc1C#N 2226050189 NWKNPMIWDJMWEK-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)c1 2267002322 XQSZUQHDOGYKCY-UHFFFAOYSA-N 448.344 4.805 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@H](N)CC#CC1CCCC1 2289847572 JNVRVPTWNFFYRC-UXHICEINSA-N 435.406 4.796 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@@H](O)C#Cc1ccc(Br)cc1)C2 2296281472 LMXBOUBRTMESRN-UFYCRDLUSA-N 434.374 4.730 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@H](N)C#Cc1ccc(Br)cc1)C1CCCC1 2296302774 NVVHKVDEDOACDD-AZUAARDMSA-N 435.406 4.849 30 10 IJEE O=C(O)COc1ccccc1C=C1SC(=Nc2ccccc2)N(c2ccccc2)C1=O 2297321988 QORPWBHASHWDAW-UHFFFAOYSA-N 430.485 4.959 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1nc2ccccc2s1 2297709581 HGONMDRPFMBTBY-QGZVFWFLSA-N 440.525 4.582 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2312487761 PBOGHJLNZBPOHH-LWSSLDFYSA-N 444.616 4.542 30 10 IJEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1C(=O)O 2313558187 VCENUJFHGQOQEH-UHFFFAOYSA-N 435.480 4.823 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cn(C)c2ccccc12 2321059156 WGCYHCWNDXNTFR-UHFFFAOYSA-N 446.580 4.562 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 2321936927 JJSTYGZHCPAWDN-UHFFFAOYSA-N 446.434 4.745 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323791118 NWKDUHMDWZQXGW-UHFFFAOYSA-N 430.412 4.649 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4)c3C)C2=O)cc1 2325715202 OKDJABIXCZQENW-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCOc1ccc(C=Nn2c(Cc3ccc(Br)cc3)nnc2SC)cc1 2325925525 CIASSKHYNZKFMM-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1OC 2325997586 RZDZNPSRQYAWQI-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE COc1ccc(Br)cc1C=Nn1c(C)nnc1SCc1ccc(C)cc1 2326287468 VAOPKIKDVSXOLI-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)c1 2328607610 NBZVBWYBAPJIEA-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)n2N=Cc2ccco2)cc1 2329947029 RKFYADDAZFTUHN-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2sccc2C)o1 2330667706 HWLMRBBWCFXGSA-UHFFFAOYSA-N 438.534 4.869 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccc(F)cc1 2330819313 MJMBALMSBTUHOD-UHFFFAOYSA-N 445.589 4.989 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1OC 2331122860 UWARNIHJOVDMKX-UHFFFAOYSA-N 436.459 4.797 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)Cc1ccccc1[N+](=O)[O-] 2331163274 PYUMRAGSQHNPNH-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE C[C@H](CCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1)CCNC(=O)OC(C)(C)C 2339575516 XTOPBRODZXDCFB-GPZRYRNASA-N 445.413 4.501 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342469608 MEVYIODYEIOHNO-DEOSSOPVSA-N 444.381 4.756 30 10 IJEE CC(C)S(=O)(=NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)C(C)C 2377409669 NTEXQKVIKFXLJI-UHFFFAOYSA-N 444.244 4.533 30 10 IJEE CN(C)c1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)cc1 1922573 RQRAJEAWLDYHJI-FSJBWODESA-N 447.407 4.833 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 20831029 APEBFVFVRQOHFD-JOCHJYFZSA-N 447.608 4.671 30 10 IJEE COc1cc(OC)c([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3onc(C)c32)cc1OC 21660399 SVGYHWGMEHXASE-VOIUYBSRSA-N 446.503 4.967 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccc(F)cc1 35444706 AQTNJCQEGSIXAC-NSXGMPHASA-N 436.527 4.536 30 10 IJEE C=CCc1ccccc1OCCCn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 40181154 YKKLQKUZQPGACX-UHFFFAOYSA-N 440.547 4.901 30 10 IJEE CCCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2ccc(F)cc2)C(C(C)=O)=C1C 169930403 OBHOKTFHXJNCPA-QFIPXVFZSA-N 442.556 4.918 30 10 IJEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(-c2ccccc2OC)cs1 169940982 RVZNSEZIPKWPNQ-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE COC(=O)c1sc(N/N=C\c2ccc(O)c(Br)c2)nc1-c1ccccc1 169942335 AOHWMIHPDLOCQT-JMIUGGIZSA-N 432.299 4.511 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccnc1)c1ccc(F)cc1 170013236 GPBTWKHWMFLQBF-LJQANCHMSA-N 431.448 4.613 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2F)c1 170071945 DIYYZZLRKWLXPN-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 170078319 ZSCVFCWJZJGAMH-JOCHJYFZSA-N 445.475 4.987 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC)cc2)cc1C 170117122 ZDSGGFIEHDUYCI-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccccn2)cc1C 170172900 NIZSOWJJYOMTED-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccn2)cc1C(C)C 170177903 GWQSYEFKOYBKFH-QHCPKHFHSA-N 446.503 4.894 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccnc2)cc1 170182837 VRTDGJMYJSIPFY-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)c1 170199892 WDHAPSXDIFUZBN-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OCC)cc1 170213963 ZTJYVMBDHFAEHO-IBGZPJMESA-N 444.325 4.836 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C(C)C)cc2)cc1C 170244532 RJFQWGQPHJHBRK-QHCPKHFHSA-N 437.536 4.742 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C(C)C)c3)=C(O)C(=O)N2CCOC)cc1 170264847 XEGJOZWSBKQHAT-QHCPKHFHSA-N 437.536 4.606 30 10 IJEE COc1ccc2[nH]c3c(=O)n(N=C[C@H](C)Cc4ccc(C(C)(C)C)cc4)c(O)nc3c2c1 254509519 HAINSANGAJRNQK-OAHLLOKOSA-N 432.524 4.602 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 480628063 WVIUYQKOTHEACE-UHFFFAOYSA-N 449.349 4.623 30 10 IJEE CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2c(F)cccc2I)cc1 505830505 DKEBNLNPJGKQKW-INIZCTEOSA-N 436.268 4.722 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc(OC)c1OC 590864568 PZDQVERXQYUEFO-LJQANCHMSA-N 449.595 4.558 30 10 IJEE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cc(Br)c(C#N)cc1F)C2 705649617 BWJYZEUMIJMKRZ-VXKWHMMOSA-N 428.349 4.808 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C#N)CC1 730216972 XOBPQTLBIFXONC-AVRWGWEMSA-N 445.563 4.702 30 10 IJEE N#Cc1ccc(COC(=O)c2cc(O)nc3ccc(Br)cc23)c(OC(F)F)c1 752553404 HCGKZTQPJJOPIV-UHFFFAOYSA-N 449.207 4.533 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)CCCN1C(=O)OC(C)(C)C 790698158 IELSXIQJXYZZQU-HJPURHCSSA-N 432.565 4.640 30 10 IJEE C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nc2ccccc2o1 804427497 BYMCJUJYKFVITB-MRXNPFEDSA-N 436.943 4.879 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1)c1ccc(Cl)cc1 810470473 GNPKTRPWVBHROB-ZQMYSKGWSA-N 438.955 4.865 30 10 IJEE Cc1cc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc(N2CCCC2)n1 811882446 HQWRFXGPSKLVIH-UHFFFAOYSA-N 431.565 4.590 30 10 IJEE C#C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccc(Cl)cc1 811964093 CEZCMEIFQGIJIE-FQEVSTJZSA-N 448.325 4.867 30 10 IJEE C[C@H](OC(=O)CCCc1ncc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCC2 915508599 GHYVZMWDEOXWSZ-HNNXBMFYSA-N 449.532 4.657 30 10 IJEE COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(C(C)C)c3)NC2=O)cc1Cl 917634490 DBCWMLPPKAOXLR-GOSISDBHSA-N 431.945 4.720 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)cc(Cl)c1 1084613954 VFUFUAWFMAWZAZ-OAHLLOKOSA-N 426.300 4.723 30 10 IJEE C=CCCOCC(=O)Nc1sc2c(c1C(=O)c1cc(OC)cc(OC)c1)CC[C@H](C)C2 1124094540 QEZRKMVBGHMVTQ-HNNXBMFYSA-N 443.565 4.652 30 10 IJEE Cc1ccc(S(=O)(=O)C2(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)CCCC2)cc1 1124935547 GALSFHWWBLBLDI-UHFFFAOYSA-N 438.593 4.638 30 10 IJEE C#CCN(C(=O)[C@@H](C)OC1CCCCCC1)[C@@H]1CCOc2ccc(Br)cc21 1126228162 GEZZQIRGTPHSOX-OXQOHEQNSA-N 434.374 4.862 30 10 IJEE C#C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1F 1129616377 QAGQOXAWZBPYFS-BJKOFHAPSA-N 446.909 4.537 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)s1 1137724406 HSCXZENLYZYFHO-MLGOLLRUSA-N 428.982 4.606 30 10 IJEE C#CC1CCN(C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)CC1 1163014814 YNSZKKBSXZYZJY-HNNXBMFYSA-N 437.590 4.557 30 10 IJEE C=CCn1c(SC[C@]23CCCC[C@H]2CC(=O)O3)nnc1-c1ccc(Br)cc1 1164621173 JVDBRXQTUGWBIN-MGPUTAFESA-N 448.386 4.862 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Br)ccc2F)c1 1186556369 DCNMACVDGIFNES-UHFFFAOYSA-N 444.325 4.965 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2cc(C#N)ccc2Br)CC1 1191373672 DCBDEBFBRBQLGB-UHFFFAOYSA-N 448.405 4.932 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1 1207891730 OOLFSCVNAMCQOA-UHFFFAOYSA-N 431.517 4.611 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 1215312842 CCYFCXCDVOBYCA-GOSISDBHSA-N 443.469 4.903 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 1222101971 LVWYWYHIAYGOMJ-FCEWJHQRSA-N 425.495 4.801 30 10 IJEE C=C(CC)CNC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 1230063967 XSMJIMRLZQAARV-GOSISDBHSA-N 427.408 4.701 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)NCCOc1ccc(Br)cc1C(F)(F)F 1231335006 QIHNAIUXOUHYBR-CQSZACIVSA-N 435.284 4.987 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286317548 NMPGJYZJXKANMA-GOSISDBHSA-N 441.004 4.946 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H](C)CC1 1286498897 FJGFDMRLXVSGBX-IBGZPJMESA-N 442.629 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cccs1 1286518298 DFCBDMPRGCDKPP-HOYKHHGWSA-N 436.581 4.919 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCN1CCCC(C)(C)C1 1286527924 TXOYVSHZTRLAQK-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(C)c2)CC1 1286542930 FMHIFRIPFBUSGD-UHFFFAOYSA-N 444.421 4.554 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 1286556607 DYFNZPKUCDFACM-GBXCKJPGSA-N 438.616 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1ncccc1C 1286570097 MKARBFQZFALVGS-UHFFFAOYSA-N 426.362 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1CCc1sc(C)nc1C 1286583418 MOGHGRLFCHGUJA-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)c2nc(C)cs2)CC1 1286664924 LWBVQQVABQFTCT-SFHVURJKSA-N 437.613 4.871 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cccc(F)c2[C@H]1C 1286667730 MIAIJLFANINSFF-MSOLQXFVSA-N 430.568 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286670927 PEQJLSZWFSGSQZ-UHFFFAOYSA-N 448.415 4.659 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nccnc1C 1286714907 VDQTZZBBDMATMT-SFHVURJKSA-N 440.979 4.652 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CC[C@H]1C2 1286826198 ZQECIETYEYLGTA-ZFWWWQNUSA-N 437.382 4.755 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)OCC 1287775958 GGGPLCASTHDXBL-IBGZPJMESA-N 427.884 4.816 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C3(c4cc(Br)ccc4OC)CC3)cc21 1289391125 VHJYVOPVHPYIAN-UHFFFAOYSA-N 426.314 4.664 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@H]2C)C1 1290996452 GWHPILMRSSKQNV-JSXRDJHFSA-N 434.632 4.808 30 10 IJEE COC1(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1299790927 FPPDAVGOPABXLI-QFIPXVFZSA-N 443.979 4.600 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCOC[C@H]1C 1300602956 LYPWMRGTMHBZNW-HZPDHXFCSA-N 428.989 4.945 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@@H](C)[C@H]1C 1300742802 AHPGGHKQSYIKSW-BBWFWOEESA-N 446.711 4.828 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC2(CCC(F)(F)CC2)C1 1300754758 VWJQMQFCDMDBIC-UHFFFAOYSA-N 434.531 4.856 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C(C)C)N2CCCC2)CC1 1301092174 SAECHBZMWMETMW-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1301130047 LSNDHSCVJIAKML-UHFFFAOYSA-N 439.570 4.688 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1CCCCC1 1301383012 CREFFYAURLBMRM-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CC(F)(F)c1ccccc1 1301413408 VBHYKNXPZVXLTC-HXUWFJFHSA-N 428.483 4.750 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2c(C)coc2C)C1 1301542950 UHCFMFSXWDSJGM-KRWDZBQOSA-N 430.911 4.777 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C(C)C 1301611684 FYBHIZKZBWDFRS-GOSISDBHSA-N 437.654 4.547 30 10 IJEE COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2C#N)cc1 1309086479 CKYQNUWVUZSSMN-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE C=CCCCCCN(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1309211713 HLPREGKJUNLGAO-UHFFFAOYSA-N 429.405 4.940 30 10 IJEE C#CCC1(NC(=O)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)CCC1 1311431312 CJCPXYPSSYCWOX-UHFFFAOYSA-N 433.552 4.538 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 1311597236 GNNVBJSFJQIHKH-UHFFFAOYSA-N 436.512 4.583 30 10 IJEE CC[C@H](Cc1ccccc1Br)NC(=O)N(CCOC)Cc1ccc(C#N)cc1 1312263817 FFWPBYOYYIBHLA-HXUWFJFHSA-N 444.373 4.500 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1352838111 PQEUNRQTJLNEAS-UHFFFAOYSA-N 446.459 4.778 30 10 IJEE C=CCC1(C(=O)Nc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2)CCCC1 1353266741 ZIYUMUUOXBGUDV-UHFFFAOYSA-N 431.580 4.653 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccccc2OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1355646797 BXCYXXAIYHIOTE-HHHXNRCGSA-N 448.563 4.675 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC[C@@H](OCC)C(C)C 1358875772 VNONDNOYFFCQOP-QFBILLFUSA-N 433.394 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCCCCC1 1358899825 VQOQBPDIMMBFQC-QGZVFWFLSA-N 433.021 4.767 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1358923893 FNWRSJGTVZFUAS-UHFFFAOYSA-N 449.002 4.508 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](c1cccnc1)C(C)C 1358944886 LSCNRDAMJCVPQN-LJQANCHMSA-N 438.373 4.612 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2sccc2C1 1359079495 LJAUTEYWPYWYSP-UHFFFAOYSA-N 436.766 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1scnc1C 1359094290 ZDKLPJRQKGHIEZ-PXNSSMCTSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccsc1 1359102974 IAQCHRSFBJUQMT-REWPJTCUSA-N 438.597 4.845 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(CC)C1 1359129369 ZWZKDATWTKNGLC-RUZDIDTESA-N 426.605 4.841 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(N(C)C)CCCC2)CC1 1359161395 BJKMOMMUDVXUJU-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1359172862 KUEVUEQKKWCMFD-GOSISDBHSA-N 437.579 4.815 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[C@H](O)C1 1359258127 HERCRSRAIGOFIZ-FPOVZHCZSA-N 437.975 4.737 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCCC1 1359275546 XHFQZGRYFCEFHQ-UHFFFAOYSA-N 445.611 4.969 30 10 IJEE C=CC[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1 1436028902 XTJPNVCECPYXAF-GOSISDBHSA-N 428.337 4.718 30 10 IJEE C=CCC1(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)CCC1 1440968673 OJQRQZPOXVWTQW-LFIBNONCSA-N 439.364 4.892 30 10 IJEE C=CC1CCN(C(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1444017684 KCCZKNIGLAXLEB-UHFFFAOYSA-N 426.582 4.759 30 10 IJEE Cc1cc(F)ccc1-c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1F 1457527902 BOISWNIQMBLLMQ-SFHVURJKSA-N 441.478 4.525 30 10 IJEE COc1ccc([C@H](C)NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(Br)c1 1458407960 HPCWLKSGEXVXHX-AWEZNQCLSA-N 448.386 4.619 30 10 IJEE N#Cc1cccc(COc2cccc(CNC[C@@H]3CSCCN3Cc3ccccc3)c2)c1 1461431140 BTWKCXJAODOLGE-AREMUKBSSA-N 443.616 4.844 30 10 IJEE COc1cc([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1OCCC(C)C 1462856247 AIBAMFVLKMKPPV-HNNXBMFYSA-N 436.961 4.685 30 10 IJEE CCCC(CCC)N(CC1C[C@@H]2CC[C@H](C1)N2C)S(=O)(=O)c1ccc(C#N)c(F)c1 1463145616 GDUVPDWHJPZWAV-PRJVBOEPSA-N 435.609 4.530 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(OCC)cc2)c(C)s1 1463750234 MOZUMJOSYSJPTC-GOSISDBHSA-N 443.569 4.762 30 10 IJEE C#C[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 1463776010 OWYWNTOXSKSXEP-INIZCTEOSA-N 433.154 4.550 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)c1ccc(Br)cc1 1465421852 CSTIQFPQLGJZDS-VWKPWSFCSA-N 442.357 4.559 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)c1ccc(Cl)cc1 1465492730 WZOMFAXGBBXGRI-QHCPKHFHSA-N 443.934 4.968 30 10 IJEE C[C@](O)(CNC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccc(F)c1 1466235759 HBFCACFDJNDGLL-RDJZCZTQSA-N 438.343 4.655 30 10 IJEE C=CC1(CC(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)CN(C(=O)OC(C)(C)C)C1 1466530944 LZHXNJGSIJNICR-CQSZACIVSA-N 427.372 4.854 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 1468334528 XCAAQGFVNCVUEG-SFHVURJKSA-N 431.330 4.727 30 10 IJEE Cc1ccc(-c2nnc(SCCC(C#N)(c3ccccc3)c3ccccc3)n2N)cc1 1472925868 CFGDCMHZOWFSSW-UHFFFAOYSA-N 425.561 4.959 30 10 IJEE C#Cc1cccc(NC(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)c1 1475846911 ORNKXWFKFDIMFX-UHFFFAOYSA-N 427.932 4.880 30 10 IJEE C=C(Br)CNC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 1476970963 KMGRQAHAYZKSLK-UHFFFAOYSA-N 429.240 4.799 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1477912087 CSFHKONIFGPUEZ-KKSFZXQISA-N 434.458 4.942 30 10 IJEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 1497786724 AODRCKKNLKCKLJ-NRFANRHFSA-N 447.505 4.537 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(CC)C(C)C 1507518300 UCUQNRJYCLGAEE-UXHICEINSA-N 446.039 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1c[nH]nc1C 1507520600 PTYJJCMYBWGCQE-AWEZNQCLSA-N 438.988 4.935 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cccnc1Oc1cccc(F)c1 1507543337 VVUCRGSPIMCNSE-GOSISDBHSA-N 433.531 4.843 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](COC)C1 1507558704 YHVSFLGOKGJJKY-OALUTQOASA-N 430.980 4.738 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2ccc(CC)o2)nnc1[C@@]1(OC(C)C)CCOC1 1507576560 YPANZIXKTWQOTC-SQJMNOBHSA-N 440.588 4.619 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1507697947 GHYWKXWSIGRCTE-UTKZUKDTSA-N 431.005 4.665 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCSC1 1507701913 DGZPWISLRYRIKZ-HXUWFJFHSA-N 440.613 4.853 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C(C)C 1507795689 JMHCEBUQKGMDGI-IEBWSBKVSA-N 433.394 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)C1 1507799577 WWWXQDGNQSMXKN-BPAFIMBUSA-N 445.405 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OCCC(C)C)CC1 1507800626 WTXXEPCCHRGXMZ-PUHATCMVSA-N 446.636 4.532 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)c2cccs2)CC1 1507880888 LFMRFLIVSWIRJG-SBUREZEXSA-N 442.560 4.683 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)CCOc1ccccc1Cl 1507916878 VYBPXDQJPDLTJP-SFHVURJKSA-N 432.996 4.943 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCN1CCCC[C@@H]1C 1507973893 AUSHJIAJVKDYPV-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC[S@](=O)C(C)(C)C)C1CC1 1507987790 CGPKDFSBFFXYNR-PMERELPUSA-N 446.686 4.978 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1CC1(SC)CCOCC1 1507996882 LIYFIJHHROGNKQ-IBGZPJMESA-N 439.629 4.768 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1nnc(CC)s1 1508021201 QMQBUBXTKRRGKW-UHFFFAOYSA-N 434.569 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C2CC(C(C)(C)C)C2)C1 1508128742 ORODVLJLPNBKPT-OBFZPWGMSA-N 440.588 4.644 30 10 IJEE Cc1ccc(OC(F)F)c(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C#N)CC2)c1 1510955091 FKABILXBHNIIRS-UHFFFAOYSA-N 427.455 4.545 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)COc2ccc(Br)cc2F)cc1 1523480400 ZTJNDLCYZDIEPV-UHFFFAOYSA-N 436.277 4.615 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1 1524111001 HNBDGTGJKMRYHU-CLJLJLNGSA-N 437.543 4.539 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1OC 1524755836 HEOTXVSIPSBATE-WEVVVXLNSA-N 432.442 4.790 30 10 IJEE C#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)c1ccc(Cl)cc1F 1528107904 GPLAQYPNJNJQAS-FQEVSTJZSA-N 429.879 4.728 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccccc2I)c1 1529647706 RHSLLFYYRJKVLZ-UHFFFAOYSA-N 427.241 4.713 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 1530320374 MXIGGJSTPKCENC-QFIPXVFZSA-N 427.504 4.876 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1532008870 MNMNJMCOUPQVMY-QHCPKHFHSA-N 428.508 4.604 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc(OCCC)c2)c(C(=O)OCC)c1C 1532545302 MNVHEDHHDXYAJU-UHFFFAOYSA-N 431.510 4.617 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1535483585 NTXHFABKSUMJIG-GOSISDBHSA-N 440.728 4.972 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccncc1Cl 1538983267 PPNQDYLPRSECGZ-HUUCEWRRSA-N 425.989 4.686 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1539082732 ZNNCLGJXNHMBCZ-FQEVSTJZSA-N 440.498 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@@H]1C(C)C 1539351279 RIDYTXVEMDQNIY-SIKLNZKXSA-N 426.630 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCOCCCC 1539538188 DXIPRSQWSBUGBO-WZONZLPQSA-N 430.980 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1539566741 PJEVWZKCPXOXDS-LJGDZFJRSA-N 436.600 4.609 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1539635458 GKPFHFUNMRMWFF-WFXMLNOXSA-N 429.634 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1COCCO1 1539650837 WLWMEIDKBAHWRJ-UYAOXDASSA-N 448.995 4.506 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@H]1C)c1ccccc1 1539766862 YEEAAWYSANIDOW-NVXWUHKLSA-N 440.389 4.994 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1539878323 ZOLJHINDGSRJEI-JOCHJYFZSA-N 446.473 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccccc2[C@H]1C 1539927032 ZHSXJOMYICSFLJ-GOSISDBHSA-N 449.624 4.996 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CCC2)C1 1540027764 AGVCIQSSDGZJNG-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1540048016 OVXDXSHHXCMFNI-IMWIBFENSA-N 429.584 4.690 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1540049903 VKTNIBVOVWUOQY-SCYDXJQRSA-N 430.980 4.635 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1C[C@]1(N(C)C)CCSC1 1540134376 RGTCKSNZBDFSHY-FDDCHVKYSA-N 431.625 4.561 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1540854697 YFPWLJBGOMJJDY-CQSZACIVSA-N 448.752 4.533 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCCSC2)C1 1540884189 LUDWHDOOCODXHO-NNWRFLSQSA-N 426.630 4.745 30 10 IJEE CCc1ccc([C@H](C)C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 1543137194 HXEVRKBXMUVRFB-HTAPYJJXSA-N 440.385 4.524 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)N1CCCC1 1543898916 DWIIPWMAJPNERH-QDSKXPNFSA-N 434.632 4.952 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)s1 1545622692 HTMBKUOGGFSYOR-IUODEOHRSA-N 429.032 4.889 30 10 IJEE C=CCn1c(SCc2ccc(N(C)C)nc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1559307464 HOMWBVIQLQTEAM-AWEZNQCLSA-N 426.611 4.522 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1583337690 LCQQODQHABZVEI-OXQOHEQNSA-N 428.426 4.991 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(-c2cccc(Cl)c2)nn1 1583505429 CNCXCYXKDQFIIX-UHFFFAOYSA-N 433.693 4.500 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 1584070983 DQAZBOKTAPTXFV-HXUWFJFHSA-N 429.442 4.731 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(C4SCCS4)c3)n[nH]2)c1C 1587289774 HADONNAJXVWZCE-UHFFFAOYSA-N 425.583 4.807 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C(F)(F)F)cc1 1587315847 XRURJHOFIREZTB-PXNSSMCTSA-N 435.829 4.517 30 10 IJEE Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 1587500735 GFMVPAYCTHMNLE-QHCPKHFHSA-N 435.543 4.532 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1587705441 DNCHLNHBLOXWHH-OAQYLSRUSA-N 446.599 4.572 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOCC2(CCC2)C1 1587883528 DJDVEQTYYNHJJI-UHFFFAOYSA-N 436.600 4.709 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1(OCC)CCCC1 1588549996 FFVFGWRELGDMDK-UHFFFAOYSA-N 426.580 4.995 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCO[C@@H]1C 1589600249 YVWJNIGOFNVIJI-IVZQSRNASA-N 447.004 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(OC)cc1C(F)(F)F 1589669128 LGDCPCHXKNOQDL-UHFFFAOYSA-N 445.489 4.742 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)N2CCC(C)CC2)CC1 1594013054 BJHKSMYZBRHPFE-NHCUHLMSSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ncccc2Cl)CC1 1594218340 DQBBLYFISCIKOZ-UHFFFAOYSA-N 445.354 4.523 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](OC)C2CC2)CC1 1594218724 QENSUAYBWKKDSL-QHCPKHFHSA-N 440.588 4.568 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)COCc2ccccc2)CC1 1594247630 NGIDCEYGIUTSIP-NRFANRHFSA-N 431.584 4.519 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOCC2(CCC2)C1 1594536741 YJLIRVMCKIESIB-WOJBJXKFSA-N 430.637 4.806 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1594581946 IAPTUOKWKIFLPG-YLJYHZDGSA-N 444.421 4.737 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCCO1 1594793193 IRGBMURERJSPKQ-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H](OC)C(C)(C)C)C1CC1 1595044647 XQLYARLDKLGOJW-SFHVURJKSA-N 433.394 4.924 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCCC2(C)C)C1 1595680782 MYYFNAZWHUQQAE-XLGIIRLISA-N 438.616 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 1596614306 DSYBFXWRJOSIGI-QFIPXVFZSA-N 433.552 4.922 30 10 IJEE C=CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1611192953 PMRZIWVGXGQRGH-UHFFFAOYSA-N 427.353 4.880 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1611768827 DRNXMINMRBAAHI-HGHGUNKESA-N 432.494 4.688 30 10 IJEE C=CCN1/C(=N/c2c(C)n(C)n(-c3ccccc3)c2=O)S[CH][C@@H]1c1cccc([N+](=O)[O-])c1 1615006953 BJMQQYHIYRCRBX-LRVSTDGRSA-N 448.528 4.518 30 10 IJEE CC[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1621881661 GIIPQOKDUHEKPN-QUCCMNQESA-N 433.371 4.668 30 10 IJEE CN(C)C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)cc1 1622866590 BPVVSZLRWPKOMV-OAQYLSRUSA-N 435.915 4.823 30 10 IJEE CCc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)N(CC)CC)cc1 1625367870 DDQVCTKUZSULFL-HSZRJFAPSA-N 436.625 4.928 30 10 IJEE C#Cc1ccc(NC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)c(Cl)c1 1627146793 WTSJHMKSCFTFCH-UHFFFAOYSA-N 425.197 4.827 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(Br)cc(Br)c1)C(C)C 1628248824 CRBOQGACFOHCEU-QGZVFWFLSA-N 444.211 4.640 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 1633954418 MFJPEASADWNCEY-IPMKNSEASA-N 443.028 4.999 30 10 IJEE C#CCC[C@@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 1635011879 NABZXUSGEKCPHR-LRXXLLMYSA-N 430.935 4.879 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 1637056668 ASUIWIGKAUDXQD-WMZOPIPTSA-N 425.356 4.867 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 1638439827 ILCMFNVSTWNHPE-PWRODBHTSA-N 430.589 4.941 30 10 IJEE CCc1csc(CC2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)n1 1643619491 FSSPDYHAVOLLDP-QGZVFWFLSA-N 442.654 4.850 30 10 IJEE N#Cc1ccc(Br)c(OCc2csc(CC(=O)Nc3ccccc3)n2)c1 1644150370 DUMYUSZLSJZKRY-UHFFFAOYSA-N 428.311 4.537 30 10 IJEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1cc(Br)c(C#N)cc1F 1651561559 AFFMGMIKNPVVRO-BDJLRTHQSA-N 442.329 4.632 30 10 IJEE C#CCN(CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)[C@H]1CCc2ccccc21 1652348029 TWVNUMROFLLEBA-RPLLCQBOSA-N 448.994 4.760 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc2c(=O)n(-c3cccc(C)c3C)c(S)nc2c1 1653192461 CIFUHBUMRZZRBK-LJQANCHMSA-N 433.577 4.862 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(Cc2c(F)cccc2F)CC1 1654707159 GZCLZBGWZQSBGM-QGZVFWFLSA-N 429.486 4.694 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OC)c(N2CCCCC2=O)c1 1655365788 YCAAVQJQDPQYBW-UHFFFAOYSA-N 443.341 4.599 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)cc1 1658516307 JUYXTTJZLAGPIZ-UHFFFAOYSA-N 442.730 4.763 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](C)Oc3ccccc3Br)cc2n1 1664849157 DNFRMAPSQNALPY-AWEZNQCLSA-N 429.318 4.574 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1667566139 HSUQGEGYTZQZTQ-UHFFFAOYSA-N 441.597 4.514 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc1 1668210637 VHVXSQRJGGKYSL-UHFFFAOYSA-N 431.561 4.865 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C)c1ccc(Cl)cc1F 1669152910 PSWSBVMOTNOYIW-HXUWFJFHSA-N 426.900 4.777 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 1670844694 ALUPFVPWVSXZAT-CQSZACIVSA-N 437.256 4.588 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CC)Cc3cc(Br)ccc3O)cc21 1674679413 JCQDOACNBFPYCH-UHFFFAOYSA-N 429.318 4.744 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](CC(=O)OCC)c2ccc(Br)cc2)c(Cl)c1 1674764218 PIROWPPZQFWNHV-SFHVURJKSA-N 449.732 4.900 30 10 IJEE C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)[C@@H]1CCCc2ccccc21 1676046907 DZDJOQGZAQACTE-FTJBHMTQSA-N 433.596 4.801 30 10 IJEE Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1678771742 DRQPJFRUZWFYOT-JOCHJYFZSA-N 448.567 4.883 30 10 IJEE C=CCCC1(CNC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCCC1 1679899109 UUQZOTDQIGCXDV-UHFFFAOYSA-N 429.874 4.727 30 10 IJEE C=CCC[C@H](NC(=O)N(CCO)Cc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1680632951 IHZXBYSDUHXJAQ-NRFANRHFSA-N 436.474 4.925 30 10 IJEE CC(C)[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(Cl)cc1F 1681272871 HJBKMTQQXHZTRD-SIKLNZKXSA-N 428.939 4.596 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 1682317600 ULQRKEFZMPYZGZ-YJBOKZPZSA-N 435.515 4.892 30 10 IJEE C=C(C)CN(CC)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1682716152 XRQLWPJLGWNLRJ-TZIWHRDSSA-N 433.568 4.774 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1683107454 ZRUQWBOQYKYDJU-IRLDBZIGSA-N 429.605 4.900 30 10 IJEE C=CCC[C@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)c1ccc(C(F)(F)F)cc1 1684129558 JCWYNOLHOSMAHC-SFHVURJKSA-N 425.495 4.661 30 10 IJEE CC(C)[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(C)(C)C)cc1 1686239391 HFHURGSYQANTAH-ZEQRLZLVSA-N 446.595 4.653 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1689856167 KWHIZLXSPXSCFS-NSXLHWASSA-N 449.624 4.568 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC(C)(C)C(F)(F)F 1690088595 QSJZHLXNEWUZGU-UHFFFAOYSA-N 433.453 4.651 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690095455 QYEUKCVFFDQETK-FUHWJXTLSA-N 440.897 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)Oc1cccc(C)c1 1690268753 XJTXEXIJWNDSLZ-NRFANRHFSA-N 444.583 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@@]1(OCC)CCOC1 1690440125 YRPZPKYQGKPCGY-XMMPIXPASA-N 445.007 4.749 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H](C)c1nccs1)c1ccccc1 1690444197 BYPTWBSWSYXLTM-UYAOXDASSA-N 445.596 4.791 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1690467409 VWQLKORPPQBPSL-UHFFFAOYSA-N 436.579 4.704 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[S@](=O)C(C)(C)C 1690516439 JKXHBLQXOHQLSP-PMERELPUSA-N 443.642 4.546 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690749789 POUDWSGCYMLBSO-UHFFFAOYSA-N 447.599 4.535 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1(C)C 1696192345 GRZUTGVDMFCNEI-DFQSSKMNSA-N 443.542 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)c1nccs1 1705483831 CXBITEIZHRKHJF-QWHCGFSZSA-N 448.365 4.565 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCC(C)(C)C)CC1 1705520557 YLEDGFYDQLXMRE-UHFFFAOYSA-N 446.643 4.643 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(CC)CCOCC1 1705625674 SGLQNCUDGZNVMZ-QFIPXVFZSA-N 440.563 4.505 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705688087 NLJPULSTQQYZFU-BXUZGUMPSA-N 447.274 4.551 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1705704723 YQWAPNXOXCTLCB-NZQKXSOJSA-N 435.547 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCCN1C1CC1 1705719734 JFIWPABFXVUZEE-QHCPKHFHSA-N 437.632 4.893 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC2CCOCC2)CC1 1705764957 UEMXPYGGWWAMLK-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](CC)OC)CC1 1705772535 PYHDOVXRZRWGPZ-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 1705780962 MJEJFPNYPHZJBJ-UHFFFAOYSA-N 434.531 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705788433 AMWLCRYROOBPMM-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705813083 VHTAGUKQOPSINP-HKUYNNGSSA-N 428.577 4.952 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1ccc(OC2CCCC2)nc1 1705865085 QSKYKYSWYSVYBE-UHFFFAOYSA-N 435.547 4.937 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1705878086 UAPRMMBJTWVQBG-LGGPRVQUSA-N 442.991 4.953 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(C(F)(F)F)n2)C1 1709261141 HICUJNBTHGHSCK-INIZCTEOSA-N 440.473 4.905 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCCC[C@H]1C 1722283055 QDUAJADHTOJFGR-RTBURBONSA-N 444.023 4.720 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1722327672 MZSNQZJBKACOGJ-FXAWDEMLSA-N 435.597 4.652 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C(CC)CC)no1 1722413891 MZWLKYXLBZVATF-UHFFFAOYSA-N 425.964 4.922 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCCCC1 1722416349 KWPAYRGNNBZXLK-IBGZPJMESA-N 446.064 4.805 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](CC)OC 1722468264 HRGXNAKXBFOFIK-NTKDMRAZSA-N 435.597 4.794 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CC(C)(C)OC(C)(C)C1 1722510533 SGZSJPXLVAXPFC-FYYLOGMGSA-N 438.616 4.552 30 10 IJEE C=C(C)Cn1c(-c2cccn2C)nnc1N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 1722522713 SGNAAANLJONOOT-UHFFFAOYSA-N 443.498 4.639 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(O)c2cccs2)CC1 1722561389 SOOUKNHLKZZWRD-JOCHJYFZSA-N 446.523 4.672 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1722606820 IGTNDUREMWSDHS-JXFKEZNVSA-N 439.541 4.847 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](CCOC)C1 1722612417 RPMNSZHPPQZVAY-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC(C)CC1 1722633486 ICLGWERUXXMWJJ-IRLDBZIGSA-N 425.621 4.778 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCc1scnc1C 1722657272 WIIROSPGCRXRAA-UHFFFAOYSA-N 434.613 4.939 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CC[C@H](C3CCOCC3)C2)nnc1C(C)(C)C)C(C)C 1722668111 ZIIGDIZWMIFORM-XZOQPEGZSA-N 443.680 4.527 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)C1 1722715479 NWIBXLAXULKSJE-KNKQGSTJSA-N 442.579 4.707 30 10 IJEE CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1723170874 AQRGQLXDXIEFQK-JYFHCDHNSA-N 434.632 4.834 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1CCc1ccc(OC(F)(F)F)cc1 1723777561 GPCIRRWTJXQYFT-INIZCTEOSA-N 435.494 4.890 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1C1CCCCC1 1740558162 SYUVALWWKHKCGN-VWNXMTODSA-N 449.643 4.729 30 10 IJEE C#CCSCCn1c(-c2cccn2C)nnc1N(Cc1ccco1)Cc1cccs1 1740714683 HIWXCRVHHSUZML-UHFFFAOYSA-N 437.594 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1740771314 AHDIHOYMAGYMRN-GMAHTHKFSA-N 432.616 4.976 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](COC)C1 1740787098 AFKGJYYKWAUXQO-INIZCTEOSA-N 447.004 4.879 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)C)C1 1740806961 KFZVJXKWHYNRFG-OAQYLSRUSA-N 448.995 4.746 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1740874366 AYKPHZWFUJYRPS-JOCHJYFZSA-N 435.547 4.939 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN2CCCC[C@H]2C1 1740942891 QREBFEBDEVBCBD-ICSRJNTNSA-N 429.996 4.549 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1740971201 JXZZIHVOCXICHF-IBGZPJMESA-N 428.487 4.610 30 10 IJEE C[C@H](CN1CCCCC1)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1741874867 CRIBDIKYJWDZEB-YIXXDRMTSA-N 448.659 4.705 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CC1 1745834898 HEBCVTBNCSISGO-HXUWFJFHSA-N 429.515 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cn(CCCCC)nc1C 1748661765 KUMIVZHGTMLEPP-IBGZPJMESA-N 443.599 4.638 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1748706158 BDUGOGPOVHPZPB-IRXDYDNUSA-N 431.353 4.742 30 10 IJEE COc1ccc(CCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC(F)(F)F)cc1 1748720251 HWSYKTDWOQJKFT-OAQYLSRUSA-N 435.494 4.544 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCSC(C)(C)C1 1748735418 SPFYIZXVWXCUSH-UHFFFAOYSA-N 437.382 4.592 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1749123564 GABGGOSJMBQZDX-FCEUIQTBSA-N 442.629 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCSC(C)(C)C1 1749134979 AVGFDCKBDWUELG-GMAHTHKFSA-N 440.657 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nnc(C)s1 1749166274 ZFNKKVGTTJUDNO-UHFFFAOYSA-N 440.617 4.900 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1749384402 AZHYWOLRZPNVBL-QFIPXVFZSA-N 437.632 4.722 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(OC)C1)c1ccccc1 1749385476 RFISUQWTVOXUNV-BKMJKUGQSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1749390782 JRWUHFNDLNWUBJ-JOCHJYFZSA-N 447.505 4.703 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749413059 ROWWZCINCTWUNH-MZKRTTBSSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)S[C@H](C)C1 1749439971 OMMPLKSUAXKPFY-KURKYZTESA-N 435.638 4.647 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1749528563 VHAGIOOBVBUSFZ-HXUWFJFHSA-N 437.632 4.867 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H]1CSC 1749614156 UHMHWMUIPURMIW-ZDUSSCGKSA-N 427.799 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)C(F)(F)F 1760104027 QGKCPRYSYUAAKQ-JTQLQIEISA-N 435.313 4.816 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760109274 UIFWZECKABYKAW-IAGOWNOFSA-N 445.995 4.702 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760158531 NPBMHQLAZIQWBU-REWPJTCUSA-N 436.600 4.573 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760242071 RSJBCTRCFNIWLI-FNZWTVRRSA-N 437.607 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)Br 1760339928 BXRYGCPDIAGVIH-ZIAGYGMSSA-N 435.357 4.587 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCCC[C@@H](SCC)C1 1760348322 JRSLWCUQFWMPFM-LJQANCHMSA-N 430.618 4.944 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760407287 ZFGXOHCPIHXPFD-FXAWDEMLSA-N 442.583 4.933 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C)(C#N)CC1 1760561478 BILOYXXEDPYESV-UHFFFAOYSA-N 431.993 4.656 30 10 IJEE C[C@H]1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)C[C@H](C)O1 1762752959 FQCPNNDMMKLROM-OALUTQOASA-N 437.588 4.559 30 10 IJEE CCC1(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1764426696 DCKMNIWOGRAYDJ-DEOSSOPVSA-N 425.552 4.921 30 10 IJEE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNc1ccc(F)cc1)CCC2 1772750050 WBYSQBXZYDIPNB-UHFFFAOYSA-N 449.482 4.943 30 10 IJEE CSCc1ccc(C(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)cc1 1858910169 VXTWWLMSNKGVCI-UHFFFAOYSA-N 431.517 4.962 30 10 IJEE N#Cc1c(-c2ccccc2)ccnc1N1CCN(c2nnc(-c3cccs3)s2)CC1 1859824319 DBBOSBBXOKLKLF-UHFFFAOYSA-N 430.562 4.527 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862442726 UOPOUSSODCODNS-NRFANRHFSA-N 435.911 4.514 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1CC(C)C 1862468774 XRQZDBPXRLBRTH-IBGZPJMESA-N 428.326 4.992 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C(=O)O)c1 1862493196 KLYYTTDVODSAAT-NRFANRHFSA-N 447.512 4.842 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C)cc1 1862507351 JJCBDURRGOZYNJ-QHCPKHFHSA-N 438.543 4.753 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)c(O)c2)cc1 1862536199 STMKGVPMURCMQV-ZOUOIUENSA-N 435.520 4.817 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862559507 PVQPMESAKPPTEI-XMMPIXPASA-N 442.515 4.754 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1C 1862880948 SYONAXMRENIZSR-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2cccc3cccnc23)C1=O 1863050994 RAHBTHFMMFDNFG-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2ccccc2OC)C1=O 1863427882 INYWLPXILRKQEL-UHFFFAOYSA-N 426.472 4.866 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)c1ccccc1 1868840435 SJPKBRXLILEZDR-UTKZUKDTSA-N 441.369 4.611 30 10 IJEE C=CCOc1cn(Cc2ccccc2)c(CN2CCC(Cc3ccccc3)CC2)cc1=O 1870386104 ADTWTLIELVNRSO-UHFFFAOYSA-N 428.576 4.916 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN(CCO)CCCC 1870404923 VGVKFEGMXAURCX-UHFFFAOYSA-N 439.383 4.515 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)c(=O)cc1CN(C)CCCC 1870661442 FHOHJQJOJIISJV-HXUWFJFHSA-N 439.600 4.797 30 10 IJEE Cc1cc(OC(=O)N2CCOCC2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871362787 GGRMPOXINQVVRZ-WQRHYEAKSA-N 434.275 4.749 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O 1871417524 CMZMBEQKUIDZFN-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 1871430423 KHXICZNKNXCZEL-OYKKKHCWSA-N 432.520 4.822 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Br)cc2C)[nH]1 1871568091 QAGVWNQURLTGTR-UHFFFAOYSA-N 445.409 4.744 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871762548 FTQMDSRWUQJZDZ-JOCHJYFZSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872046314 RAPVNAYRNUKDPS-XXBNENTESA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872237626 OCNJHWQSTSNJPD-IBGZPJMESA-N 441.380 4.978 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872442923 PTNAVHSVPKBYGS-QFIPXVFZSA-N 446.638 4.747 30 10 IJEE C=CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2c(NCCCOC)ncnc21 1873607560 NTFGVAXUGLRYEN-UHFFFAOYSA-N 434.327 4.625 30 10 IJEE N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)Cc1ccc(OCc2ccccc2)cc1 1873684716 MCNPVZFSLSCDMG-UHFFFAOYSA-N 444.441 4.782 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1cccc(OC)c1 1874209631 PYQKSNQNEOSAGB-FYJGNVAPSA-N 431.359 4.634 30 10 IJEE Fc1cccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2cccnc2)c1 1874317351 OIFURZJLXYAAON-WPWMEQJKSA-N 447.539 4.998 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c(OC)c1 1874321417 QOOOTZWJGCZXNC-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE Cc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874334245 KGJXTVJBYZLNOZ-MNVTYAKESA-N 447.608 4.794 30 10 IJEE COc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1 1874350823 GKQNTJWLYFRQMM-KOEQRZSOSA-N 438.597 4.532 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)OC)nnc2-c2ccccc2Cl)cc1 1874365494 FTPONJCISPGBIC-YDZHTSKRSA-N 444.944 4.535 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C2CCCC2)c1 1874452517 ZMRGHCBXYZXIOY-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE CCCNC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874455444 SCRIAFRBWRCLLW-MFKUBSTISA-N 427.618 4.734 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1cccc(F)c1 1874480242 OPVLXPBDXBOUMH-SCELWYEFSA-N 439.560 4.612 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874530016 MXUMVEVIJDWYGK-LSFURLLWSA-N 438.315 4.645 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1C 1874610400 QUMJNCQPSREGEP-NTUHNPAUSA-N 446.459 4.825 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)NC1CCCCC1 1874616333 UHYMMEDNEXFBCE-SDNWHVSQSA-N 437.536 4.736 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1874638739 PECDIXYTHKQZGA-FMIVXFBMSA-N 433.504 4.658 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(F)(F)F)c2)c1 1874713304 PVRLDYMILXRSHB-RMKNXTFCSA-N 438.398 4.856 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)c(C)c2)CSc2nnc(COC)n21 1874865114 KSIOODBNIVARGD-LJQANCHMSA-N 434.581 4.934 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1875135223 GPOCZQLVSDCILT-SXQCNTSWSA-N 436.247 4.882 30 10 IJEE COCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1OC 1875168578 KMBWWGPCGFOFQA-CMDGGOBGSA-N 426.509 4.775 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@H](C)C1)n2CCC 1875205371 QHXXXKSOHXBQMB-KDURUIRLSA-N 429.609 4.863 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC(C)(C)N(c2ccc(C#N)c(Br)c2F)C1 1878988365 XEDCAOLWTLUCST-CYBMUJFWSA-N 426.330 4.732 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCC(C)CC1 1901483957 UKWJKORBFGKCPO-ZADXLRFVSA-N 445.563 4.892 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@](C#N)(CNC(=O)OC(C)(C)C)C2CC2)c1 1944407715 IZMGCHPIZGWATC-QHCPKHFHSA-N 431.533 4.634 30 10 IJEE N#Cc1ccc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)c(F)c1 1952727223 WSPLSJSGQOSMPP-NVQXNPDNSA-N 442.446 4.536 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCN(C)C(=O)OC(C)(C)C)cc1 2002699778 IRBGALJATOKZNN-HSZRJFAPSA-N 433.549 4.976 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2007091977 SETYIXHPWQZHPO-ARGWCVDVSA-N 447.498 4.714 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(C#N)c(Cl)c1 2010516283 JJEFGXVBZOCVNO-LJQANCHMSA-N 443.931 4.650 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCC2 2011893010 QMJIMVXGWSGWTB-NRFANRHFSA-N 434.541 4.750 30 10 IJEE Cc1nn([C@H](c2ccc(C(C)C)cc2)C(C)C)c(I)c1C=NO 2079880569 FRTYUPSPSCLNGO-KRWDZBQOSA-N 425.314 4.973 30 10 IJEE N#Cc1c(-c2ccccc2)nn(Cc2c(F)cccc2I)c1Cl 2080306125 IDTGGRGJDUBYOS-UHFFFAOYSA-N 437.643 4.867 30 10 IJEE COc1ccc(Br)c(-c2c(C(F)(F)F)nn3c(Cl)c(C#N)cnc23)c1 2081423798 NRXHFJALZNKBMN-UHFFFAOYSA-N 431.599 4.711 30 10 IJEE C[C@@H](Nc1cc(Br)cc(F)c1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2107452427 XPEPIQXNYHBGBF-OLZOCXBDSA-N 426.330 4.907 30 10 IJEE CCOc1cc([C@H](C#N)N(CC2CC2)C(=O)OC(C)(C)C)cc(Br)c1O 2131260835 NLIPHLWSRZLJTP-HNNXBMFYSA-N 425.323 4.765 30 10 IJEE C=C([C@@H](NCCC)[C@@H](O)c1cc(Br)c(Br)s1)C(F)(F)F 2147311642 GQJGXGUKSDBJTH-ZJUUUORDSA-N 437.119 4.793 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)nn(C)c1C 2188139380 ZFRBDHUJWQLTEP-AWEZNQCLSA-N 435.322 4.506 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[C@H]1C 2235728386 LNNMCYGYKURVQU-WOUAJJJCSA-N 435.406 4.670 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)C(C)(C)C)c1 2255834961 KDZIFYXSIPYRSR-UHFFFAOYSA-N 425.353 4.874 30 10 IJEE C=CCCC1(C(=O)NCc2cc(C)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2266290170 AVWLZSHSKIKOBU-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2296216303 JDJAFDLJTHSLKV-AZUAARDMSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]2(O)C#Cc1cccc(Br)c1 2296225393 UPXRUEVMTWEBNY-QFIPXVFZSA-N 428.326 4.982 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2296230845 XNXDPTLZFDPAGH-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)o1 2296247638 QYGZBAFKMPSCNQ-MZNJEOGPSA-N 443.499 4.576 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)C(F)F 2296267660 WAQPZXBPARORFB-DOTOQJQBSA-N 445.348 4.575 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296289754 VDUJQOIJLNMSBK-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE Cc1c(OS(=O)(=O)c2ccccc2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2296872162 XPIIJDXFDHPRSK-UHFFFAOYSA-N 445.496 4.871 30 10 IJEE CCN=C1SC(=Cc2ccc(OCCOc3ccccc3)c(OCC)c2)C(=O)N1CC 2297458286 JIMMDGAROLUHEK-UHFFFAOYSA-N 440.565 4.855 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC)n1N=Cc1ccc(Cl)cc1Cl 2321030570 VGUHLEKJFJHIFN-UHFFFAOYSA-N 442.416 4.770 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccccc2OC(C)C)c(C)c1 2321199161 UFUWLFUAFKYUBH-UHFFFAOYSA-N 437.569 4.604 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cn(C)c4ccccc14)O3)CN(Cc1ccncc1)CO2 2321977915 SGROFJYCPLMKSN-UHFFFAOYSA-N 437.499 4.850 30 10 IJEE CCCNC(=O)COc1c(C=CC(=O)c2ccc(OCC)cc2)cc(Cl)cc1OC 2322557203 XOEPHLNAAIRPJM-UHFFFAOYSA-N 431.916 4.548 30 10 IJEE COc1cc(C=CC(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc(Br)c1OC 2324599116 YGOYUGZRTMIZRR-ZDUSSCGKSA-N 435.343 4.936 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)c(OC)cc2C)cc1OC 2324627126 VAYPNPRUMZHUJJ-UHFFFAOYSA-N 445.943 4.775 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325571599 MVTPNTYFVCHARN-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2325722458 VXGGWABRGKZEKS-UHFFFAOYSA-N 444.443 4.791 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1sccc1C 2325744784 BNKIYNUZLZNGBY-UHFFFAOYSA-N 436.485 4.952 30 10 IJEE Cc1cc(OCCCc2nnc(SCCCO)n2N=Cc2ccco2)cc(C)c1Cl 2325814307 XAQRTNXCZJQYAL-UHFFFAOYSA-N 448.976 4.510 30 10 IJEE Cc1ccc(C=CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc2C#N)cc1 2327007285 AXWVSSGHXMWOID-SANMLTNESA-N 448.526 4.727 30 10 IJEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2330252667 DKEDWQPWFWOYCW-UHFFFAOYSA-N 434.009 4.555 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)c(OC)c1 2330889142 NDTBXICMXOEQLR-HXUWFJFHSA-N 438.553 4.630 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331397021 ZVSAPDXRAGKYAO-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE C[C@@H]1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339536510 LJHUMVDUXYRHBF-IEBWSBKVSA-N 443.397 4.926 30 10 IJEE COc1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)c(Br)cn1 2362114113 XFXNTDNZCIEUAH-MRXNPFEDSA-N 436.281 4.998 30 10 IJEE Cc1c(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(=O)n(-c2ccccc2)n1C 20246897 WEVFKNVCZNKEEA-WGOQTCKBSA-N 442.475 4.722 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=O)c2cc(F)ccc2F)=C(/S)NC[C@@H]2CCCO2)cc1 22691370 NKPZXZQKCBZUAR-IBGZPJMESA-O 447.571 4.863 30 10 IJEE CCCn1cc(CN/C(=N\C(=O)c2cccc(C)c2)Nc2ccccc2OCC)c(C)n1 32972777 BLFDSWPSCDVABE-UHFFFAOYSA-N 433.556 4.707 30 10 IJEE COc1ccc(-c2nc(SC)nc(Nc3cc(C(=O)O)ccc3C)c2C#N)cc1OC 62039816 HRIQZNXITDWEBQ-UHFFFAOYSA-N 436.493 4.505 30 10 IJEE CCN(CC)CC/N=C1/S/C(=C/C=C2/Sc3ccccc3N2CC)C(=O)N1CC 97071218 OTEYEAOLHPQARO-KQHKRDBRSA-N 430.643 4.637 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 102715714 NAGQHJUKYSFJON-RKKARLDVSA-N 432.476 4.707 30 10 IJEE CCCCCOc1ccc(/C=N/NS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC 169904475 NWQHBXKVJIHLCY-LFVJCYFKSA-N 432.586 4.892 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2OC)cc1 169942637 PTTWVJWKZKXLPE-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12 170076920 AEWLFIVPQLPWIK-QFIPXVFZSA-N 446.434 4.687 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@@H]1CCCO1 170122956 DZQVLWFORDFWSY-MHECFPHRSA-N 443.499 4.606 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(N(C)C)cc1 170129206 GTEAOEWENRQEGA-HSZRJFAPSA-N 436.552 4.873 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)c1 170132640 XRCSWUGZKQKPIW-HSZRJFAPSA-N 429.472 4.962 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(C)c2)cc1 170139865 OOUKXMVGKXXAAK-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccs1 170163340 TXUFXFCVUIZKDD-LJQANCHMSA-N 440.908 4.584 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccn1 170179152 AZCWAZKZNFBGMT-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1ccncc1 170202487 BWYPLFMEZPNMFL-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170208558 UIZSMBJMUHGYOO-OAQYLSRUSA-N 445.862 4.655 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCOC)cc1 170213198 NRHOWDPNOYGJDV-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)c1 170230935 AZIMXXAYKCRTPE-XMMPIXPASA-N 442.515 4.895 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(O)c1)c1cccc2ccccc12 170261234 KXKARVXABHXEQE-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCN(C)C)cc1 170267458 ONJLNBVMZPIRIF-FQEVSTJZSA-N 447.362 4.696 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C)cc1OC 170275368 CKDMSGXCCIJMAI-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccco2)cc1C 170289141 WQSDKRGMIBAKST-JOCHJYFZSA-N 433.460 4.784 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170297858 UMPZWOIOZFHEBQ-CMJOXMDJSA-N 445.471 4.703 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccc(F)cc2)o1 170299820 DKAZYKCQQGOWTQ-PEBXRYMYSA-N 433.435 4.833 30 10 IJEE C=C(C)Cn1c(Sc2ncnc3ccc(Br)cc23)nnc1-c1ccncc1 301719396 PGFMGFXNGODZIP-UHFFFAOYSA-N 439.342 4.773 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 303164804 VSMHMZRRQJSRPC-JOCHJYFZSA-N 447.457 4.564 30 10 IJEE Cc1cc(C#N)ccc1CNc1ccc(I)cc1Br 311936511 JMNRYWYVLRSKDT-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)[C@H](C)c2c(F)cccc2F)nnc1-c1ccco1 480117824 UMJNAIULIQRSKK-CQSZACIVSA-N 432.496 4.704 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)n(-c4nc(C)cc(C)n4)n3)n2)cc1 490721377 SSJCMNYOAMFIAA-GOSISDBHSA-N 428.521 4.510 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 526602857 BMLQEGDJTDOFIW-HSZRJFAPSA-N 441.443 4.922 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(SCc3ccco3)C2=O)c1 526665746 DPBGGDANVKETOB-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 549286900 DTMFWJSGOIJGFV-IBGZPJMESA-N 429.446 4.513 30 10 IJEE CC1(C#N)CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)CC1 549678415 NIXMUCHZYVISPI-SFHVURJKSA-N 446.020 4.923 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@]2(C1)OCc1ccccc12 555268951 LKAKWRWAMSCZFK-HHHXNRCGSA-N 439.563 4.883 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 584320049 ZMJDBQCVFJRMFI-XMMPIXPASA-N 440.551 4.640 30 10 IJEE C=CCN(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccc(OC(C)C)cc1 586150799 WTKVCAOEIJLJDS-UHFFFAOYSA-N 442.350 4.752 30 10 IJEE COc1cc(C#N)ccc1OCCSCc1nc(O)c2c(-c3ccco3)csc2n1 610136688 BSRNYGZOMIQNRI-UHFFFAOYSA-N 439.518 4.849 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1ccc(I)c(Br)c1 721359934 OOMBRHOHHHOASZ-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3C(F)(F)F)C(=O)N2CC)c1 726412763 QCGVASKBKWTZNY-GOSISDBHSA-N 445.466 4.667 30 10 IJEE C/C(=C\C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1cccc(F)c1 732368127 PDQSCGANVVDGJF-SFQUDFHCSA-N 445.494 4.749 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 745880190 IUIYHUMAQCQYRI-QFIPXVFZSA-N 436.556 4.744 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N(CC2(CC#N)CC2)C1=O 797424721 AVHNCKPSTJVJCX-LJQANCHMSA-N 440.613 4.695 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(Oc2ccccc2OCC)nc1 804924020 JNPYNYBCGUATJW-JOCHJYFZSA-N 429.520 4.706 30 10 IJEE N#CC[C@@H](C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1)c1ccccc1 1126214054 AMTUOLPKWAMXEC-AREMUKBSSA-N 443.522 4.751 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2(C(C)C)CC2)ccc1Cl 1129241631 GHJJCYXRFHYBSX-UHFFFAOYSA-N 432.973 4.640 30 10 IJEE C#C[C@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1129602462 RGZPWESDYOPGFN-GBSSLUMBSA-N 430.976 4.850 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C\c1ccc(Br)cc1 1141359415 RMPFXFUDHGPIAW-CNZFZVQHSA-N 437.378 4.828 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)c1 1157521473 GWCBZIAIYBPVLA-UHFFFAOYSA-N 449.494 4.555 30 10 IJEE COc1cccc(-c2nnc(SCC(=O)[C@@H](C#N)c3ccccc3)n2Cc2ccco2)c1 1188251842 AFRRJPPKOTXGGH-NRFANRHFSA-N 444.516 4.564 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3C)OC[C@H]2C)ccc1Cl 1191075874 DEYIUVYSFQYLIP-AUSIDOKSSA-N 425.960 4.666 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(CC)[C@H](c2ccccc2)c2ccc(F)cc2)c1 1192006696 QOQQWDNUNOKQHF-RUZDIDTESA-N 429.495 4.567 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c(Cl)c1 1220233152 HFNDJLIHTYQSOG-FQEVSTJZSA-N 431.964 4.965 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1cc(Br)cc(OC)c1)c1ccc(F)c(F)c1 1226658367 BFRIWJAWLZAGMF-SFHVURJKSA-N 425.273 4.853 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCCC1(C)C 1246509692 PTNQYCMEHVVOJN-IBGZPJMESA-N 431.378 4.911 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1nc(C(C)(C)C)cs1 1286281679 HOWKCNVGMZBCRK-INIZCTEOSA-N 430.581 4.754 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1286547990 RVUWWQVZAKPEOR-IERDGZPVSA-N 447.377 4.543 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)SC 1286570300 UFAWIFSPYQQRPG-UHFFFAOYSA-N 426.428 4.590 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](OCC)C1 1286668804 VCPVJXDWAXMLNL-FQEVSTJZSA-N 434.588 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286669273 ZMSDEFWXXDYSDZ-HXUWFJFHSA-N 440.979 4.512 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ncccc1N(C)C)C1CC1 1286732505 UUHIDQTVMZLRFM-FQEVSTJZSA-N 446.599 4.699 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccn(C)n1 1286749853 FOWCHEWERXADGE-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)C 1286750988 KPDLXAXNMMRPFW-NRFANRHFSA-N 445.696 4.959 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)C1 1297859005 AEGRSSFOYAEEER-YADHBBJMSA-N 432.597 4.565 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC1CC(OC(C)(C)C)C1)[C@@H]1CCSC1 1298126070 IEFZDMMIIUWQRU-VEDCXYSMSA-N 439.629 4.742 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1299905630 MHTCWIWCJGRXAG-UHFFFAOYSA-N 434.842 4.990 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1300843201 DEPGRSRBTPQXSW-ZWKOTPCHSA-N 436.442 4.545 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 1300861224 CNQPIQZFKSTYKV-AWEZNQCLSA-N 437.357 4.777 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1301002219 XFTUYTVXMVFYSD-AHJNKEMKSA-N 430.637 4.804 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1301246355 SDOZDAKYHWUDGV-QFIPXVFZSA-N 435.572 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1301279249 ZJEXJCFULSWRMF-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCCOC(C)C)C1CC1 1301317442 SAIJCDMFJVNPKG-UHFFFAOYSA-N 433.394 4.986 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(OC)CCC(C)CC1)C1CC1 1301321066 UJHKFPBQGNGXGY-UHFFFAOYSA-N 440.588 4.712 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301602348 OLPKFVUPDMJIPR-OALUTQOASA-N 449.020 4.674 30 10 IJEE C[C@@H](NC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1303794643 AJDLKJVHINEJOD-FQRUVTKNSA-N 445.615 4.543 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C1CC1)N(C)Cc1ccccc1 1305438421 FZXDDSCMMDVBFD-RDPSFJRHSA-N 434.632 4.832 30 10 IJEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 1305604064 CCNRCOKYJJLTTE-AVRDEDQJSA-N 434.613 4.950 30 10 IJEE CCCOc1c(OC)cc(CCNc2cc(Br)c(C#N)cc2F)cc1OC 1307121260 FXKMUVRZXSYFLV-UHFFFAOYSA-N 437.309 4.920 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(C(C)C)C2=O)nc2cc(-c3ccccc3)sc2c1=O 1307274929 ZJVVKXFMPHOGQO-GOSISDBHSA-N 439.606 4.803 30 10 IJEE C#CCN(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)Cc1ccc(F)cc1 1307444961 OSWWQPVUSGWATM-UHFFFAOYSA-N 430.527 4.743 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCC)cc1F)[C@@H]1CCOc2ccc(Br)cc21 1310896012 KZMNBMPEMRRCRR-LJQANCHMSA-N 447.304 4.978 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1313509102 CZDMQYMJIWMDQM-RUZDIDTESA-N 430.556 4.616 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CCC(F)(F)CC2)c1 1315559331 BNUNRIVDXNWJTF-JOCHJYFZSA-N 429.515 4.909 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 1349176398 ZFQSWYQESKMKDR-UHFFFAOYSA-N 440.952 4.651 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCC1CCN(CC(F)(F)F)CC1 1358939554 YXCGDOKECCSZGQ-NRFANRHFSA-N 447.549 4.554 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1(CCOC)CCC1 1359016406 BEJQPGDQAPYUBQ-UHFFFAOYSA-N 426.580 4.852 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1N1CCCC1 1359059759 ZDLYIEAXYOQBHL-UHFFFAOYSA-N 437.657 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCCC1(C)C 1359116459 LYUMWIHWCPFIFJ-RUZDIDTESA-N 426.605 4.763 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)Cc1cc(Br)cs1 1359123360 BGOBMVNHYBFBJI-UHFFFAOYSA-N 447.402 4.936 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC2(CCOCC2)C1 1359185459 XJGWIXXCWGCZDL-UHFFFAOYSA-N 429.996 4.993 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)C(C)C 1359222298 FGDWGUGVFXNOOZ-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCOc1ncccc1F 1359260717 MNIOCXMNZRTAHH-UHFFFAOYSA-N 439.510 4.881 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1359338344 RYINRPNQEDHJOL-LJQANCHMSA-N 433.021 4.771 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1359341540 ZZTFHODUHXKXSZ-NRFANRHFSA-N 434.613 4.649 30 10 IJEE C#CCOc1cccc(NC(=O)c2cc(C)c(Cl)cc2I)c1 1435135371 CNOWLCRXAGKGBA-UHFFFAOYSA-N 425.653 4.517 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)c1ccccc1 1438918460 ICVSJNSNVGWEKU-FQEVSTJZSA-N 446.638 4.996 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)[C@H]2COCCN2C2CCCC2)cc1 1451651545 BGDMMFOOEKKCQW-OAQYLSRUSA-N 441.984 4.945 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@@H]2c2cncc(Br)c2)cc(OC)c1OC 1456068236 XLEAMVSPNAVKLL-GOSISDBHSA-N 431.330 4.567 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1456726391 RXLXARIFQLJKJI-OAQYLSRUSA-N 426.582 4.538 30 10 IJEE COc1ccc(Cl)cc1C[C@H]1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 1459523316 DITWUZCYRRJRPU-NVXWUHKLSA-N 429.948 4.712 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1460135958 BEYWYHNBYANFIL-HOCLYGCPSA-N 446.776 4.866 30 10 IJEE C#C[C@@H](NCc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)c1ccc(Cl)cc1 1462303109 DRNCVGPLOMECPF-OAQYLSRUSA-N 428.960 4.955 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1462808855 XWAKIPMGDKJBBG-UHFFFAOYSA-N 434.277 4.845 30 10 IJEE C#CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)[C@@H]1CCCc2ccccc21 1463013228 CVOAFEYGOYCCMK-RUZDIDTESA-N 442.563 4.770 30 10 IJEE CC(C)(CCCc1ccccc1)CNS(=O)(=O)c1cccc(Br)c1C#N 1463104216 CTPORVWMIJBEIX-UHFFFAOYSA-N 435.387 4.648 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)C(C)C 1464869279 JINWIXMHNANDJP-KRWDZBQOSA-N 433.312 4.896 30 10 IJEE COC(=O)[C@]1(C)CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 1465771364 FTYWKVLOZRFUPH-OAQYLSRUSA-N 447.413 4.786 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3NCc3ccccc3)cc2C1=O 1465962799 FNXYFXAKNOAXGM-UHFFFAOYSA-N 445.906 4.986 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c1ccccc1SCC#N)Cc1ccccc1 1468457781 AOXBTMYHDZTJCY-IBGZPJMESA-N 439.581 4.510 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1 1470238163 CZUHNGPZPUBSJD-RTWAWAEBSA-N 429.358 4.895 30 10 IJEE C#Cc1cccc(CNc2nc(CN3CCCCC3)nc3sc(C(=O)OCC)c(C)c23)c1 1472805776 DMCULIDXFOGRNB-UHFFFAOYSA-N 448.592 4.756 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccccc1F 1472934692 LQROISIHIIUQHN-GOSISDBHSA-N 431.920 4.800 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)cc1Br 1475089063 GAGABVHAITYGEX-UHFFFAOYSA-N 446.153 4.595 30 10 IJEE C=CCc1cc(CNC(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)cc(OC)c1OC 1477161585 MGTGNGBQGDYWQR-JOCHJYFZSA-N 434.458 4.636 30 10 IJEE CC[C@H](Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@](F)(C#N)C1)OC 1497210258 GWNZIBHWFMQHMT-VGOFRKELSA-N 443.523 4.680 30 10 IJEE CN(Cc1ccc(Br)s1)c1nnc(-c2ccc(C#N)cc2)n1CC1CC1 1503462396 HQMSRSVRTGMFGN-UHFFFAOYSA-N 428.359 4.687 30 10 IJEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC(C)(C)C)cc1 1504309455 HCJVRQKUXRCPPY-DEOSSOPVSA-N 425.577 4.822 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC(F)(F)C1 1507642965 OHPYFEAGVBAXBC-IRXDYDNUSA-N 432.902 4.580 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1507749469 RNHQUUKPRNGRCL-UHFFFAOYSA-N 444.391 4.576 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1507821483 DHSCNBQEYWPTKU-VXKWHMMOSA-N 425.621 4.688 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(F)(F)F 1507837257 LALNKIBCWXOAFO-AWEZNQCLSA-N 432.874 4.663 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507937409 POSRYQOPBAJOLX-BWKNWUBXSA-N 442.579 4.808 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1507943251 BTJHGIXBCCJDKN-QHCPKHFHSA-N 426.948 4.650 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1507959329 OVZKLMQKRUMZKB-KRWDZBQOSA-N 448.976 4.732 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CCc1cccs1 1507998136 LDMADSIBDHTIKL-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1CC(=C)Br 1508025921 DUSBHURDEWAXCX-UHFFFAOYSA-N 443.345 4.690 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCC1(F)F 1508033425 MHRRTSOZRSQBRY-IBGZPJMESA-N 441.526 4.918 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)c2c(C)noc2C)c1 1511201090 FJQQEAKXAHLFMF-AVRWGWEMSA-N 448.571 4.704 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1OC 1525444913 KPIMVWSQTJRJJP-UITAMQMPSA-N 434.517 4.970 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)c2C#N)[C@@H](C)C1 1527031410 AYJIGMOGBVYCOM-KBPBESRZSA-N 428.579 4.742 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1ccc(C#N)cc1)c1ccccc1C(F)(F)F 1531928278 AODBXTULBYONNF-IBGZPJMESA-N 447.457 4.502 30 10 IJEE C=CCO[C@H]1CCN(C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 1534784370 HYONXUMAECAQDL-FXAWDEMLSA-N 434.305 4.512 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(C(=O)N(CC)CC)cc1 1535433617 ZTSBQVFLUNOWDR-UHFFFAOYSA-N 431.330 4.748 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1)c1ccc(Br)cc1 1535483527 MEOJKDXSJUEIGA-IBGZPJMESA-N 427.342 4.846 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)c1 1537247846 FNUOKMXYMCMSRI-UHFFFAOYSA-N 447.848 4.949 30 10 IJEE C=C(C)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 1537410055 WLEOOSJVDLFOKE-UHFFFAOYSA-N 427.342 4.973 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1 1539399789 SSFLHNFNNUCTRM-LJQANCHMSA-N 434.609 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 1539623271 LRXAJLYRIOFDTJ-FPOVZHCZSA-N 444.023 4.500 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1 1539931830 QLRPDHBPBPNFRE-INIZCTEOSA-N 439.551 4.798 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1c(C)noc1C)C1CC1 1540095483 QOEWRYCQFXYAGS-UHFFFAOYSA-N 428.334 4.516 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@H]1OC 1540121739 VTQXVLKKANLGCL-UNMCSNQZSA-N 426.605 4.883 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1CCc1nc(C(C)(C)C)cs1 1540196195 TWRKNNMLKOTDNQ-UHFFFAOYSA-N 443.592 4.720 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@]1(C)OCCc2sccc21 1541512334 HFQDQYXEXWMHRC-QHCPKHFHSA-N 429.634 4.891 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2sc(C)nc2C)cs1 1542967541 ACLIOYUPFGXLDI-GFCCVEGCSA-N 442.994 4.858 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1sc(C)nc1C 1545740845 FEPIFQVSRRUYOI-AUSIDOKSSA-N 438.576 4.578 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1552748822 DJHUQEIZCAEYEQ-KNQAVFIVSA-N 447.414 4.722 30 10 IJEE C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCC)CC[C@H](C(C)(C)CC)C3 1559338909 OEVMAQQPANJCIW-HNNXBMFYSA-N 447.670 4.803 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1OC 1561029985 BPHBCGSLEDWKOK-AEFFLSMTSA-N 438.996 4.896 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1561744915 CQUUXAFQEAQPNV-XJKSGUPXSA-N 441.416 4.986 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(Cl)cc1 1563701462 ZKDMISBBZSVQRN-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)[C@@H](C)C4)[C@@H]3C[C@@H]12 1565538078 NXYQZNKEFFIDPK-VCSSJMHFSA-N 438.612 4.520 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)cc1 1583312732 BALCDFHECUQRRI-HSZRJFAPSA-N 434.536 4.523 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccc(CC(C)C)cc3)C3CC3)ccc2c1=O 1584168490 NUEUDYKASSUCGW-QHCPKHFHSA-N 447.604 4.951 30 10 IJEE COc1ccc2c(c1)c(CC(=O)N[C@@H]1CC[C@H](C#N)C1)c(C)n2C(=O)c1ccc(Cl)cc1 1584403972 GNGIVBKZFRKNGR-QFBILLFUSA-N 449.938 4.651 30 10 IJEE CC(=O)c1ccc(C(=O)Oc2c(Br)cc(C#N)cc2Br)s1 1585974496 OWRGYJDJLQSKHF-UHFFFAOYSA-N 429.089 4.567 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CCCC1(C)C 1586319098 DZSDIXBZOMTYCE-HXUWFJFHSA-N 439.021 4.722 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC1CC(OC(C)(C)C)C1 1587939588 ACZBORRCHOFHBC-UHFFFAOYSA-N 430.980 4.660 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1588446025 WDILHIVMPYZAFU-HYBUGGRVSA-N 436.600 4.595 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)CCC(C)C 1588550193 KHNNIYVYOPQDKV-RUZDIDTESA-N 428.596 4.833 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCc1cccs1 1589503867 FLIZJOMGNRIOPM-DENIHFKCSA-N 438.597 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1589568759 MFKWWRHGCZDCJH-RQTOMXEWSA-N 436.600 4.939 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1589721812 DLRCSRSHTHBNBR-ROUUACIJSA-N 432.515 4.766 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCc2nccs2)CC1 1594035318 HYBRSDPONCTRKN-UHFFFAOYSA-N 431.512 4.792 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCN2CC=CCC2)CC1 1594070482 HHFHRDXNHFNMOJ-UHFFFAOYSA-N 435.616 4.788 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc2c(c1)OC(C)(C)O2 1594559835 RCLJCCWDGTZJNE-HXUWFJFHSA-N 426.561 4.868 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(C)(C)C)CC1 1594661738 WQXJKWRXSUTTFL-NHCUHLMSSA-N 431.669 4.864 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1594692996 MMIZUOONOPEWGX-UHFFFAOYSA-N 428.540 4.534 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1595218070 GRILVACXZKQGOY-OALUTQOASA-N 431.625 4.691 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCc2cccc(C)n2)C1 1595700529 PBYQZUCLHDDAQC-XMMPIXPASA-N 431.584 4.625 30 10 IJEE C#C[C@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccc(Cl)cc1F 1597004211 ZTQCEDZFMPVIAV-YWZLYKJASA-N 435.307 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Br)cc(Br)c1O 1597215546 ZTYWLPJTIWLWLQ-UHFFFAOYSA-N 443.110 4.885 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(Cc2ccc(Br)c(Cl)c2)CC1 1615397076 DPUIBNNRXKOYHP-UHFFFAOYSA-N 441.760 4.845 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2)c1ccccc1 1618597229 KWAAMEDZBYJQDH-HKBQPEDESA-N 435.593 4.648 30 10 IJEE CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1618803939 AGKFFHYDBAFYJP-NZQKXSOJSA-N 426.900 4.856 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1621949464 OHCWNRCZBGSSKI-OAHLLOKOSA-N 447.500 4.848 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)c1ccccc1 1623527497 AGBBLBMRQCWMGG-MJGOQNOKSA-N 427.342 4.626 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C2 1623918925 HULIAYJBAWJVSJ-AWEZNQCLSA-N 448.392 4.592 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1623968751 CJSGXZXKRMFXIS-CQSZACIVSA-N 440.443 4.822 30 10 IJEE C=CC[C@H]1N(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CCCC1(C)C 1626454572 VBXBEYQKWQKWLT-HXUWFJFHSA-N 440.588 4.654 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnn(C(C)C)c1C)c1ccc2c(c1)OCCO2 1628565526 QUPBMBJTHMRNRJ-UHFFFAOYSA-N 447.535 4.955 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCOc1cccc(Br)c1)c1ccc(F)c(F)c1 1629961557 DDQFYODBNUAGGM-GOSISDBHSA-N 425.273 4.723 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]2C(C)C)c1 1631601019 NDODMJUMLNSAGC-OAQYLSRUSA-N 432.973 4.592 30 10 IJEE C=CCC[C@H](NC(=O)N1CC(n2cc(-c3ccc(OCC)cc3)nn2)C1)c1ccccc1 1633418686 WBOGDUOVYDOLAA-QHCPKHFHSA-N 431.540 4.618 30 10 IJEE C=C(C)c1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 1636945267 LCMDCZLFDDVRJS-RUZDIDTESA-N 446.572 4.782 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CCCCCC)Cc3ccc(C)o3)ccc2c1=O 1638781013 VPKATXJWMSIEIW-UHFFFAOYSA-N 439.581 4.995 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCSc2ccccc2Cl)CC1 1639953691 DVADOSTVJHKLOX-LJQANCHMSA-N 434.392 4.885 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(Br)cc1 1641517252 FFRHUWTYWXJRKY-MOPGFXCFSA-N 449.389 4.713 30 10 IJEE COc1ccc2c(c1)C[C@H](C)N(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]2C 1645246440 DDGQYXIAZDSRLT-FXAWDEMLSA-N 442.563 4.921 30 10 IJEE C#CCCOc1ccc(CN[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 1648906597 RLLSHZRYUCJCFY-JOCHJYFZSA-N 426.516 4.776 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1651144619 ZHRNHSXJJWZXQK-UYAOXDASSA-N 442.581 4.669 30 10 IJEE C=CCn1c(SCCCOCC(F)(F)F)nc2sc3c(c2c1=O)CC[C@H](C)C3 1651540328 NIVPVMKONBXBIR-LBPRGKRZSA-N 432.533 4.830 30 10 IJEE CC(C)(C)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1652883023 CPTMYGHIBAVTOK-QIJUGHKUSA-N 440.632 4.551 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC3(C=Cc4ccccc4O3)CC2)c1 1654366293 CAYYYZGEGLSKAR-QFIPXVFZSA-N 429.564 4.879 30 10 IJEE N#Cc1c(N)sc2c1CCN(CC(=O)Nc1ccc(Oc3cccc(Cl)c3)cc1)C2 1655001321 HKUJXXRGBKETLH-UHFFFAOYSA-N 438.940 4.644 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@]1(C)CN(Cc2ccccc2)C[C@H]1c1ccccc1 1660837688 USNLICHTTXMAHL-RBJSKKJNSA-N 439.559 4.878 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@](C)(O)c2cccc(F)c2)cc1OCC 1663310469 HHEHIJCOCCQRBK-OAQYLSRUSA-N 438.337 4.549 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](c3cccc([N+](=O)[O-])c3F)C(F)(F)F)cc2n1 1664853485 HRJCOPDONVSTKH-QGZVFWFLSA-N 437.353 4.695 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(Br)cc1Oc1ccccc1 1668830469 HRWSASNVMNPXNC-MOPGFXCFSA-N 431.330 4.774 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 1668854398 YZNZMYAVYLGCNW-UHFFFAOYSA-N 431.330 4.532 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 1670287391 APGMZQJHFXSCFJ-GOSISDBHSA-N 444.377 4.986 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H](CNC(=O)Nc4ccc(C)cc4)C3)cc21 1673312182 RDPXPFMYHFJACM-IBGZPJMESA-N 446.555 4.596 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)C(C)(C)C 1675399033 MILURNPUBXYKTO-PZJWPPBQSA-N 430.017 4.848 30 10 IJEE C=C(C)[C@H](NC(=O)NCCc1ccc(-c2nc(CC)no2)cc1)c1ccc(F)c(F)c1 1676825286 WHOOLWYDYPDKOJ-NRFANRHFSA-N 426.467 4.736 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@@H]21 1683213277 IRBPXJJUGGMMGZ-HLAWJBBLSA-N 443.389 4.653 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2cccc(OC)c2)CCCC1)c1ccc(Br)cc1 1684292724 QZWAONOOBXWOAV-OAQYLSRUSA-N 441.369 4.943 30 10 IJEE C#C[C@H](NC(=O)NCCCc1c[nH]c2ccc(F)cc12)c1ccc(Br)cc1 1686448230 MHQFUFITLNEMSA-IBGZPJMESA-N 428.305 4.676 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCCn1ccnc1C 1689867012 OOUIICJDEGEHGS-KRWDZBQOSA-N 443.020 4.667 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1689877354 XBCWJGNZMBTYDV-HOTGVXAUSA-N 433.419 4.841 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCN(CCC)C1 1690060838 KGOFZTAVCGPIEG-HSZRJFAPSA-N 444.627 4.544 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(CC)C1CC1 1690240082 BNHMQNQKAVPZHH-AUSIDOKSSA-N 440.588 4.711 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690276073 HYMCMDUHWSVSMN-SFHVURJKSA-N 442.489 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1690435238 WAOHHQQBFKFQBX-NFBKMPQASA-N 431.584 4.833 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690454199 XUWUDLYTELYKDH-HSZRJFAPSA-N 430.980 4.729 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1690477923 KEEAADDWUMCDDB-SFHVURJKSA-N 429.996 4.553 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1690499990 IDFKZXRBIFJXJF-YLJYHZDGSA-N 432.515 4.908 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H](OCC)C(C)C 1690520436 WYMUBHRZDGSMSK-SFHVURJKSA-N 439.373 4.920 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC=CCO1)C1CC1 1690539812 NKSSHUCHTSBQGL-GOSISDBHSA-N 429.362 4.516 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@H](c1ccsc1)N(C)C 1690558358 MTXNKMMJJYRRJH-JOCHJYFZSA-N 434.613 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690592819 JETOMAOWSIRBFG-NZQKXSOJSA-N 431.540 4.760 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)C1CCCCC1 1690663413 VTPXJJGXVAOFEP-UHFFFAOYSA-N 441.645 4.737 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1690700373 RIGNTAWPDRURPF-MLHJIOFPSA-N 428.499 4.595 30 10 IJEE COC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1697086989 AXQRSKNWFDMJDJ-DVECYGJZSA-N 425.577 4.590 30 10 IJEE COc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@H]2CSCCS2)cc1 1697347962 DAWZYLFKVLPAGW-HXUWFJFHSA-N 445.658 4.568 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCc2oncc2C1 1705521272 WGOHQPXHLPFDSW-UHFFFAOYSA-N 446.338 4.518 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1705558156 LOFOZXPVHBCZSL-NHCUHLMSSA-N 439.673 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCCCCOC 1705669508 OORCOXGATCMQEE-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CCCSC 1705760037 XVODGTWYCCMDAD-UHFFFAOYSA-N 445.814 4.561 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2csc(CC)n2)CC1 1705765798 AUVCHQXMQIOMRP-UHFFFAOYSA-N 439.585 4.576 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1705797367 VBTDUPXFQVAGHK-RPWUZVMVSA-N 438.616 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(c3c(F)cccc3OC)CC2)nnc1C(C)(C)C 1705802801 WJFKOEYSEXOLNQ-UHFFFAOYSA-N 429.584 4.652 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1705803077 DVBSOYWVIABRAC-PBHICJAKSA-N 437.357 4.867 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCCC1 1706067997 CJVXKOOVDQNKLI-RBUKOAKNSA-N 445.011 4.543 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2OC)CCC1 1722284680 ZGDAZACKSWQWDA-KRWDZBQOSA-N 435.959 4.582 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)[C@H](C)C1CCC1 1722330404 STAHNEJEYAYRMT-LJQANCHMSA-N 446.599 4.664 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1722343497 HFQCRGLLUKKRLJ-RTBURBONSA-N 448.640 4.567 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC2CC(C)(C)C2)CC1 1722436115 XJWVLXKRBCVBDH-UHFFFAOYSA-N 449.643 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCCCCC1 1722510350 RDZBXMRJARVVFT-JPYJTQIMSA-N 430.543 4.899 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCCC(C)(C)C2)CC1 1722565328 YODVIQIPKWBHSX-HXUWFJFHSA-N 441.595 4.836 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722592158 VJCBRSLKLUKYAU-QFIPXVFZSA-N 435.547 4.968 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCCC1=O 1722637387 SMASGJZOSPVPCN-UHFFFAOYSA-N 436.387 4.667 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cccs1 1722653603 AMILOWGIXUNBAE-XMMPIXPASA-N 435.597 4.609 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@](C)(O)C1CCCCC1 1722657661 JGJPRROWVSYWHE-SANMLTNESA-N 431.584 4.864 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](OC)C(C)(C)C 1722692913 XAPABTBXCWUMBT-OALUTQOASA-N 447.624 4.590 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)cc1 1722704080 BRHVDTJOVPODSA-NZQKXSOJSA-N 431.584 4.892 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCC(C)(C)C)C1 1722713993 FHMJZWNGRFAPPG-IBGZPJMESA-N 428.577 4.570 30 10 IJEE CCN(CC)[C@H](Cn1c(C2CC2)nnc1N(C)Cc1cccc(C#N)c1)c1ccsc1 1728375032 ARCAYCLCDPUPKR-JOCHJYFZSA-N 434.613 4.808 30 10 IJEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C)(C)CC2)ccn1 1729251868 DXDWCISLKLUXHR-UHFFFAOYSA-N 432.597 4.998 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@@H](C)N1CCCCC1 1740534426 HLWKYVVVLAMBFH-QZNHQXDQSA-N 437.632 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@](C)(CC)O1 1740538797 KIQPKXQZVJYHHP-RVQUTYLMSA-N 426.630 4.937 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCc1ccc(Cl)s1 1740558232 DNPOUXUYDFTSTJ-MRXNPFEDSA-N 444.988 4.671 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1740601580 FONBMGMGMOTMDT-UHFFFAOYSA-N 444.608 4.868 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCCC(C)C)CC1 1740712939 ZMFDTKXSYXJODM-UHFFFAOYSA-N 447.048 4.996 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCCSCC(C)C 1740727277 FXLFSRWKFFPUSK-XMMPIXPASA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1Cc1nc(C(C)(C)C)cs1 1740733845 LVYKWDMZLMQLMU-RUZDIDTESA-N 449.624 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nc(C)cs1 1740776802 CDCFKHNQRJFCQV-KRWDZBQOSA-N 436.585 4.700 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1740782592 WMFHEBNHGWOIAO-WMZOPIPTSA-N 437.357 4.658 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740812722 ITSCFQCFEQOWSA-APWZRJJASA-N 425.791 4.836 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1C 1740853057 XCKQXZGRGZQZIA-UHFFFAOYSA-N 442.995 4.791 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1740855764 OIONXBPCQXNHAS-DNQXCXABSA-N 445.611 4.875 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1740856272 ZRPIIEDMXSWEEJ-JOCHJYFZSA-N 447.583 4.654 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(CC)C[C@H]1CCCO1 1740870045 HVKOTVOXSRFYIM-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCCCN1CCC[C@H](C)C1 1740895819 VWMARBOFKDACGC-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC1(OC)CCCC1 1740920127 DXKHQUBYMVUOGT-UHFFFAOYSA-N 435.547 4.555 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H]1C(=C)C 1740935499 NSSWZSVJWLTTAX-HJOGWXRNSA-N 436.600 4.736 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(F)(F)F)cc1 1746838362 DOIHUFBKJMZVQG-YWZLYKJASA-N 437.466 4.509 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C(C)(C)C)cs1 1748656147 MXAAIUSXFHKTRB-CQSZACIVSA-N 444.004 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccccc1 1749129290 BZRSNPXTAIANBV-REWPJTCUSA-N 426.605 4.753 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(C)C)C1 1749235177 OOXZUCQNWZVVKS-QFIPXVFZSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749356239 ZKNWKUFJNDWOOI-GDBMZVCRSA-N 436.398 4.642 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1Cc1nc(C(F)(F)F)cs1 1749589531 AFLZASCEJFORIB-UHFFFAOYSA-N 437.491 4.582 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(O)CCCCCC2)C1 1749699081 ZENCPGWBOYRBDE-PKTZIBPZSA-N 438.616 4.687 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2c2cccs2)nnc1[C@@]1(OC(C)C)CCOC1 1749764011 PQVBUASIXWLHEY-XMSQKQJNSA-N 448.658 4.641 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCC(C)(C)COC 1760106792 HBBBNODLPLSKHH-MRXNPFEDSA-N 433.394 4.618 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1760139677 LFTITGCVWVZKKO-UHFFFAOYSA-N 433.625 4.677 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760142094 RKEBBYJRQADQGB-NRFANRHFSA-N 449.643 4.588 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)c1nccs1 1760158258 LEMWOJIBSRVTSI-INIZCTEOSA-N 429.977 4.620 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCC1(C)C 1760195117 WVSVMVFJKDIOPK-NHCUHLMSSA-N 434.584 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncc(CC)s1 1760215102 OUZDCDKTOPLYQU-UHFFFAOYSA-N 444.391 4.782 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCO[C@@H]1CCCC[C@@H]1C 1760224050 WBPSHSZZYDUJRE-LADGPHEKSA-N 448.611 4.532 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1(CCC)CC1 1760237547 MVPOFCQSIXQMMK-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760284121 GDYCPIZHRKRSGC-WIYYLYMNSA-N 426.630 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(Cl)ccc1OC 1760333307 CUKHYPVPAGXOFP-KKSFZXQISA-N 441.963 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1760339923 BSHWQJQPJXTBTA-YPAWHYETSA-N 431.669 4.720 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1760385061 KUSGDTVFAOMAFS-PGRDOPGGSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CC=CCO2)CC1 1760392328 MQHQKZYFXBDZTH-KRWDZBQOSA-N 435.355 4.665 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1760392569 VKLDPHLDYUKMLL-FQEVSTJZSA-N 437.632 4.794 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)S[C@H](C)C1 1760412896 UEAAYRKTUXYAJW-HLIPFELVSA-N 428.602 4.723 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1760441737 SLZGRZOKBGXGRU-NRFANRHFSA-N 441.938 4.601 30 10 IJEE C=CCCCn1c(N2CCSC3(CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760444836 RVDHGUUBLBVYOK-HSZRJFAPSA-N 434.650 4.541 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccnc1)C(C)C 1760480854 HIIMWMWEFHFDAZ-RPWUZVMVSA-N 431.584 4.809 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1CCC1CCN(CC(F)(F)F)CC1 1760492117 GXOYKZKRYQOVTD-UHFFFAOYSA-N 433.522 4.788 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(OC(C)(C)C)CC1 1760534045 QHPIHMGKGXQOLC-JOCHJYFZSA-N 440.588 4.527 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H](SC)C(C)(C)C)C1 1760545095 NJOSLSZZCBEREB-DYESRHJHSA-N 439.629 4.985 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)c(C)n1 1764136248 BXNDDPCUVVOSTK-IBGZPJMESA-N 443.555 4.961 30 10 IJEE CCCCCCCCCCn1cc(O[C@@H](C(=O)O)c2ccccc2)c(=O)cc1C(=O)O 1857891556 XAGUMKCADDVKER-JOCHJYFZSA-N 429.513 4.892 30 10 IJEE Cc1ccc2nc(SCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C#N)cc2c1 1858203155 RVYPIVYYFIEXKK-UHFFFAOYSA-N 436.968 4.509 30 10 IJEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)Nc2ccc(Cl)cc2Cl)CC1 1860592185 TZYKORHJIYMBBB-OAQYLSRUSA-N 435.351 4.681 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c1 1860603705 JNXHFFYUXFZRMI-UHFFFAOYSA-N 425.488 4.841 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(F)c2)cc1C 1862401696 HEGVFEZUUYCBLR-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 1862412751 MRANGJUSHHRRRO-QFIPXVFZSA-N 442.506 4.665 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1870105807 JDRYHPXOEZSDIN-UHFFFAOYSA-N 445.567 4.910 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)c1ccccc1C(F)(F)F 1870112380 AQZLQSSTPUYTMT-UHFFFAOYSA-N 440.212 4.776 30 10 IJEE COCCCn1cc(OCCC(C)C)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870234164 ZNIMVBMRQQMQNA-UHFFFAOYSA-N 443.613 4.794 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN(CC)CCO 1870627801 GDHLAZHXPMINEU-UHFFFAOYSA-N 428.617 4.910 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCC)cn1C[C@H](c1ccccc1)N1CCCC1 1870657295 KDQZAPBJWLGVFK-RUZDIDTESA-N 435.612 4.648 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccccc1C 1870972252 QIOOOSCNBOXCCW-UHFFFAOYSA-N 427.589 4.644 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(N(C)C)c1 1871216465 WUHPIRNTYSPKFI-UHFFFAOYSA-N 447.579 4.869 30 10 IJEE CC(C)=C1Oc2c(ccc(OC(=O)c3ccccc3I)c2C)C1=O 1871385623 DCYTYRUSAVFALJ-UHFFFAOYSA-N 434.229 4.688 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)c1 1871390730 ALVJFFOLQQWDCA-XKZIYDEJSA-N 429.428 4.623 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc(OCC(=O)NCc4ccccc4)c3C)C2=O)cc1 1871421222 WKGQESOTZXXIRM-IWIPYMOSSA-N 443.499 4.705 30 10 IJEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)/C(=C/c1ccc(Br)cc1)O2 1871427765 RUQJPGRYPIDGJE-OCKHKDLRSA-N 445.309 4.952 30 10 IJEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)o1 1871439305 ROYAVHQZJFZMSO-JJFYIABZSA-N 449.415 4.948 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCC)nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]1 1871660638 FJDBQDADPTUAQH-UHFFFAOYSA-N 435.620 4.664 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCCC 1872292088 FLLCSXMCECCGCS-HSZRJFAPSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 1872405802 BHCAUCCHDKTQJZ-HSZRJFAPSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872525040 UZEUGSZRAMQKKC-MBSDFSHPSA-N 428.598 4.924 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccco2)cc1OC 1874237725 RPLPZZCIJVECTI-MFKUBSTISA-N 448.548 4.962 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cc(Cl)ccc1O 1874245914 CWGJHTIWPPMMPY-OEAKJJBVSA-N 430.961 4.951 30 10 IJEE OCCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(Cl)c1 1874269387 SZORPFNEUKULKM-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1c[nH]c2ccccc12 1874409506 AMXDSIKMKGOPFU-MFKUBSTISA-N 439.585 4.810 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 1874489429 RDDPBGOTFMIJSZ-MFKUBSTISA-N 435.597 4.960 30 10 IJEE CCCSc1nnc(CCC)n1/N=C/c1cc(Br)c(OCC)c(OC)c1 1874508535 JJXYNPKHZKOHCE-UDWIEESQSA-N 441.395 4.785 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CC2)cc(Cl)c1O 1874518522 XLUPUOHLOFKBFQ-AUEPDCJTSA-N 432.908 4.837 30 10 IJEE CCOC(=O)c1ccc(COc2c(/C=C/C(=O)c3cccc(OC)c3)cccc2OC)o1 1874573624 XJQMNJKDMGIFCT-ACCUITESSA-N 436.460 4.949 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2cccc3ccccc23)c1OCCO 1874583624 XMMBNWJDFBOFPB-MDZDMXLPSA-N 427.294 4.878 30 10 IJEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1OC 1874603732 BYIWPSNJSBYKPX-FMIVXFBMSA-N 438.520 4.811 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(C)c1 1874621699 OZUMFKPSDRSBQF-RMKNXTFCSA-N 445.471 4.646 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc(OC)c1OCCCO 1874630046 HTULLDDUHUCREE-ZRDIBKRKSA-N 440.536 4.878 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)C(C)(C)C 1874717231 GMYRGTPKJVJXQB-DHZHZOJOSA-N 428.481 4.569 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2ccccc2Br)cc1 1874740001 HQLYIKDFIYXIEG-UHFFFAOYSA-N 428.326 4.915 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COC)c(Br)c2)cc1 1875137922 BCKNDQJIQSPLMI-ONNFQVAWSA-N 433.298 4.686 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1 1875138158 IGWRRSFVMUDEFH-VZUCSPMQSA-N 432.432 4.894 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Br)c(OC(=O)C2CC2)c(OC)c1 1875145295 JXRDHMJROCXMKF-VMPITWQZSA-N 445.309 4.986 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC(=O)CC 1875151485 MZYGMZUKQWCVGD-FNORWQNLSA-N 447.281 4.788 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)COC 1875154611 NKJVPSLHQUXBJW-VAWYXSNFSA-N 435.432 4.595 30 10 IJEE C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CCc3nc4ncc(-c5cccnc5)cc4cc3C2)c1 1890760282 KSNLJPJSWKXXFG-MZNJEOGPSA-N 433.515 4.606 30 10 IJEE C#CC(C)(C)C[C@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2002379367 YVZWXQMAHHPQIA-BKMJKUGQSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@H](N)CC#C[Si](C)(C)C)CCN(Cc2ccccc2)CC1 2014146113 OIPQOZBOZDDQDO-JOCHJYFZSA-N 443.708 4.534 30 10 IJEE CC#CCCC[C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2018329322 HLEFINZMLQJONL-BVAGGSTKSA-N 427.633 4.718 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC1CCC2(CC1)C[C@H]2CNC(=O)OC(C)(C)C 2020317569 NJQUONJUWFQFEE-BHWOZTKKSA-N 437.625 4.521 30 10 IJEE CC1([C@H]2CSC(=Nc3ccc(I)cc3Br)N2)CC1 2033114705 OJAQGWZKDVSSIL-LLVKDONJSA-N 437.144 4.546 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1O)c1cc2ccccc2o1 2033814578 WLIHMDVEYILQMD-NRFANRHFSA-N 431.469 4.978 30 10 IJEE COc1ccc(CN2C(=O)C(=Cc3ccc(O[C@H](C)C#N)cc3)c3ccccc3C2=O)cc1 2041466199 YJCVPTWEFWJHEF-GOSISDBHSA-N 438.483 4.709 30 10 IJEE CCOC(=O)c1nn(-c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079241749 RHFURAGACBFUMZ-UHFFFAOYSA-N 449.120 4.988 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2110507259 QUGOGGRJKIYCIE-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CCC(OCCCNc2ccc(C#N)cc2Br)CC1 2162423239 RPSZEBCPIOTYIO-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CCCN(c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)n1)C1CCN(Cc2ccccc2)CC1 2172712269 VWGOHKSQTCYUFP-UHFFFAOYSA-N 449.448 4.570 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccc(Br)cc2C#N)C2(CCC2)C1 2174630301 KFGLTMHDQJPKHW-HNNXBMFYSA-N 434.378 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2ccc(C#N)cc2Br)CC1 2174807399 BGWBSXYVUOWOFF-SFHVURJKSA-N 434.378 4.937 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3cc(Cl)cc(Br)c3)c2)OC1(C)C 2178294932 BPNGSXPDNFDXGS-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE Cc1c(Br)csc1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2226123724 RQJQIOMVIPZYCW-KPZWWZAWSA-N 426.185 4.517 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](O)C#Cc1cccc(Br)c1 2242568821 FOLRHFNBOUPUMM-HXUWFJFHSA-N 430.342 4.599 30 10 IJEE C=C1CC(COc2ncc(Br)cc2Br)(NC(=O)OC(C)(C)C)C1 2242895302 AOCFTBADLVZOLR-UHFFFAOYSA-N 448.155 4.599 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(OCCC(=O)O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2262198764 BOHNODKLPDJCBA-SQJMNOBHSA-N 447.572 4.657 30 10 IJEE C=CCCC1(C(=O)Nc2cccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266309969 KKRRHYUYIFGBKL-UHFFFAOYSA-N 427.314 4.730 30 10 IJEE C[C@H]1[C@@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267113134 POXIYZPBIYEBDE-QESAQDPVSA-N 440.437 4.664 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H](N)C#Cc2ccc(Br)cc2)cs1 2278809370 LPGWATUMHSQFCA-DOMZBBRYSA-N 436.375 4.543 30 10 IJEE CN(Cc1ccc(Cl)s1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282615941 UONXMOWMRMVSRA-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282697804 VYRYEBFQIQDZSQ-JOCHJYFZSA-N 449.400 4.504 30 10 IJEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 2296116029 QWLJMEJVNWTCKM-FQEVSTJZSA-N 427.928 4.706 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccc(Br)cc2)CC12CCCCC2 2296225423 VANZLIFKVIKAOU-NRFANRHFSA-N 433.390 4.842 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296225750 YQJXPFYEHQKEKN-GUDVDZBRSA-N 435.406 4.718 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1cccc(I)c1 2296288226 DNOWLGUWPKJVEF-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE CCOc1cc(C=C2C(=O)ON=C2C)cc(Br)c1OCc1ccccc1F 2297314793 HQGIVXWNDFPRQU-UHFFFAOYSA-N 434.261 4.882 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 2306622340 FLXJMUMFJIFICK-UHFFFAOYSA-N 442.478 4.508 30 10 IJEE CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2nc3ccccc3s2)n[nH]1 2313602150 SWENIMLFOOFVHX-UHFFFAOYSA-N 449.565 4.646 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 2314028381 JFMXYLCDDSQXTF-RTBURBONSA-N 445.560 4.974 30 10 IJEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1 2321961479 DFRQXCCJNLNKFM-CQSZACIVSA-N 432.303 4.941 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)cc1 2322038010 FGQNSIMXPQKGHF-UHFFFAOYSA-N 429.472 4.542 30 10 IJEE CCCCOCCCN1COc2c(cc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)C1 2322391365 CTPRZBJYUWHORO-UHFFFAOYSA-N 437.536 4.979 30 10 IJEE CCCOc1ccc(C=NNc2nc(O)cc(-c3ccccc3)n2)cc1Br 2323259614 ICJXRPDAIHMZCF-UHFFFAOYSA-N 427.302 4.847 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)c1 2323395709 XRPLGSGYHQFLIF-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(C=CC(=O)c2ccccc2Cl)cc1OC 2323603006 FVPHYFSKHQMRNG-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4ccccc4)CC3)C2=O)cc1 2324161824 UAMQNKNBARBWMM-UHFFFAOYSA-N 440.543 4.893 30 10 IJEE Cc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCC(=O)NC2CCCCC2)c1 2325489694 IKNLBPBSJFFUKA-UHFFFAOYSA-N 447.608 4.601 30 10 IJEE Cc1c(OCC(=O)NCc2ccco2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2325565246 AHUPPGOCSSUFKP-UHFFFAOYSA-N 441.842 4.692 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccc(F)cc1 2325893930 KWJYXEIBKMWMFH-UHFFFAOYSA-N 442.560 4.994 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2N=Cc2ccccc2Cl)cc1C 2328969736 BBVHGDQCEFQHFC-UHFFFAOYSA-N 428.989 4.690 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2329557668 KWWWKOBXJJCITH-UHFFFAOYSA-N 448.379 4.752 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccn1 2331065699 QNNVBHVJXGSNQY-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 2331400746 PYPKHOQHHSUMSP-UHFFFAOYSA-N 445.427 4.790 30 10 IJEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)c1 2331472832 ZBIAMTRIXBEUBO-LJQANCHMSA-N 435.597 4.637 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CC2)cc1 2331731055 PLHJPTKAWSHCLL-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2332197217 ANNBBLHABZYUCQ-UHFFFAOYSA-N 439.450 4.509 30 10 IJEE Cc1ccc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c(NC(=O)OC(C)(C)C)c1C 2342579207 UJABJMOGEVDTSV-KRWDZBQOSA-N 444.381 4.959 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2360197282 JQRLEBNZGYRNIF-IHPCNDPISA-N 435.406 4.862 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(COC)c1 2362301375 YBVMPUJHIICAEM-RBUKOAKNSA-N 439.394 4.553 30 10 IJEE C#CCCCCC[C@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366673686 XUYNTINDDJFTAQ-JSGCOSHPSA-N 425.763 4.601 30 10 IJEE COc1ccc(CN/C(=N\C(=S)Nc2cc(C)cc(C)c2)Nc2nc(C)cc(C)n2)cc1 14156648 DNOZNUBVQSIOMF-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE Cc1ccccc1CSc1nnc(NN=C(Cc2ccccc2)Cc2ccccc2)n1N 20826946 GYKUUFYJUUZYNW-UHFFFAOYSA-N 442.592 4.846 30 10 IJEE COc1ccc(-c2csc(NC(=O)CCn3c(=O)cc(C)c4ccccc43)c2C#N)cc1 32526662 AEXGRAQUBBENKZ-UHFFFAOYSA-N 443.528 4.948 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(O)c2)cc1OC 33324907 GLYPQCYTOJRGJD-QMHKHESXSA-N 432.476 4.664 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccccc2OC)c(OC(=O)c2ccc(OC)c(OC)c2)c1 33441751 KTTAVZUOONNVCV-LCYFTJDESA-N 448.471 4.836 30 10 IJEE Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(O)n(CCc2ccccc2)c(=O)c1C#N 38619936 ZXITVHBTFNQKNL-APWZRJJASA-N 445.346 4.751 30 10 IJEE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)c1 40825131 CZMHCLZYZRNANL-ZXVVBBHZSA-N 448.548 4.876 30 10 IJEE CN(C)c1ccc(/C=C2\S/C(=N/N=C\c3ccccc3)N(Cc3ccco3)C2=O)cc1 47137325 LIKYMHUXRXYQDF-QSZOGXJASA-N 430.533 4.852 30 10 IJEE CCOc1cc(C(=O)NCC#Cc2ccccc2C(F)(F)F)cc(OCC)c1OCC 96348981 QOIIXMFESWTGFR-UHFFFAOYSA-N 435.442 4.683 30 10 IJEE COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2C)cc1Cl 100293133 ZCCGOIRAYBHZQJ-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE Cc1ccc([C@@H]2/C(=C(O)\C=C\c3ccccc3)C(=O)C(=O)N2c2cccc(C(=O)O)c2)cc1 102524437 NMIGIRWMBHLPAF-OPYACWKBSA-N 439.467 4.876 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 102569766 ZCWAEYIXJAXSEZ-GOBJLOIFSA-N 447.362 4.757 30 10 IJEE COC(=O)/C=C1/S/C(=N/c2ccc(F)cc2)N(CC23CC4CC(CC(C4)C2)C3)C1=O 105251685 LSJAROGZFWCOLX-PLJFQZOESA-N 428.529 4.662 30 10 IJEE CC(C)[C@@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1nc(-c2ccncc2)no1 110598398 YTWJZFUKBBNMLZ-UPWIVDSGSA-N 440.507 4.527 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1ccc(F)cc1 169940643 VLZRCQFBZBVALF-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)c1 169981907 INDFAYKOMRSEKB-NRFANRHFSA-N 449.484 4.658 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccs2)cc1 169989924 IDRQFESCKUWNDG-FQEVSTJZSA-N 445.500 4.806 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 170057040 MDYOAMGJCJFALI-OAQYLSRUSA-N 427.928 4.906 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Cl)cc2)cc1 170060316 RNWUELLSXHGZCL-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccco1 170096199 FQOOUMUUGHXPCQ-VWLOTQADSA-N 440.499 4.901 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2)cc1 170113397 YMYGOHUPAPIEAS-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1cccc(OC)c1 170120608 NSPXOGDIOCWHMV-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccccc1OC 170124860 LTGWKGWNXZRAHQ-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1cccs1 170155480 XCNZADNAQWGGFM-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccnc2)cc1 170182839 VRTDGJMYJSIPFY-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)cc1 170186079 ZPLKIVMCIDXPHH-FYSMJZIKSA-N 440.499 4.750 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccnc2)cc1 170187096 ODLILVFWSJZMAM-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OCC)cc1 170214351 BGGYXLYRSHHHGI-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(O)c(Cl)c2)c1 170219988 PTPJZUCULWOYIH-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(F)cc2)c1 170239135 DABQWKWZSPVUSZ-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)c(C)c1 170259416 ZEBONEBNRUTNPI-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccco2)c1 170279190 JTWFVIAOWAQZKA-WNSKOXEYSA-N 445.471 4.785 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2sccc2C)cc1 170313283 BFCDMSGHEWEZNA-FQEVSTJZSA-N 443.565 4.849 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccncc1)c1ccccc1 170357018 VOLJKQGIBRODTA-IBGZPJMESA-N 440.377 4.763 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC)cc2)c1 170409664 XZJNXUOTEVGNNL-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(O)cc1 170448327 ZSQHWWCAUWEKHP-KRWDZBQOSA-N 435.398 4.806 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)c(C)c1 170552629 PPZIALGTZNLHDN-UHFFFAOYSA-N 445.548 4.635 30 10 IJEE Cc1cccc(C(=O)[C@H](C#N)c2cccc(Br)c2)c1I 235920294 WBDULCUPKSTTTJ-CQSZACIVSA-N 440.078 4.852 30 10 IJEE CC(=NNS(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 252594793 BULSESVVCQJJLW-UHFFFAOYSA-N 449.576 4.939 30 10 IJEE FC(F)(F)c1ccc(NN=CC2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)nc1 254736195 JCRLJDAWXLHDDK-DCLHTABOSA-N 428.458 4.962 30 10 IJEE N#Cc1ccc(CNc2cc(Br)ccc2I)cc1F 404160995 ZCBPJWUFQYAKRJ-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C=CCCc1ccccc1NC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 505002029 ZOSXGYTVEFOJBM-UHFFFAOYSA-N 430.346 4.979 30 10 IJEE COc1cc(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)ccc1OCc1cccc(C#N)c1 513537751 CINZEIJQCPXVCX-HEGQMBHGSA-N 434.580 4.907 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(C)c2)c1 526519247 APSKDHWEHSHEMD-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CC(=O)Oc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526521134 KWAMKMJBZHQHNC-QHCPKHFHSA-N 428.419 4.680 30 10 IJEE N#Cc1ccc(CN2CCC(Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)CC2)cc1 539688683 HVLOTEWZVBANHZ-UHFFFAOYSA-N 425.458 4.839 30 10 IJEE Cc1cc(C)n(CC(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)n1 543084583 LEGGTJDHUNDYOE-AWEZNQCLSA-N 447.301 4.957 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1 547524694 UZZCJCJYWWMIPA-INIZCTEOSA-N 428.361 4.697 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](c2ccccc2OC)C1 549637372 FXLXMZRITPYOPP-GOSISDBHSA-N 434.540 4.541 30 10 IJEE CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(C#N)cc2F)cc1OCC 591802980 JSZVGYROAJFACC-UHFFFAOYSA-N 446.478 4.656 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)C2CN(C(=O)OC(C)(C)C)C2)c1 686262438 GVZJLWQSXQSEAR-HSZRJFAPSA-N 431.533 4.586 30 10 IJEE N#CCOc1ccc(Cl)cc1CNC1(c2cccc(Br)c2)CCOCC1 735308567 JKGUUNQJGWYKSX-UHFFFAOYSA-N 435.749 4.800 30 10 IJEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 744982389 FCGUQGGOVMGFLF-NQKDMWHGSA-N 446.906 4.585 30 10 IJEE COc1ccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C#N 747389932 RPTVVOGZPRLTTK-INIZCTEOSA-N 446.482 4.519 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC(C3CCOCC3)CC2)c1=S 752804964 NOIPLDQCOWRLES-UHFFFAOYSA-N 442.629 4.584 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(OCc4ccccc4)cc3)CCO2)c1 762311701 DWOAYNMCZPTBAX-VJGNERBWSA-N 438.527 4.841 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 796888004 JVQMYONWAJSVGF-FOIQADDNSA-N 434.517 4.913 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 800775387 LCZRRKUPTHTSBM-UHFFFAOYSA-N 441.579 4.572 30 10 IJEE O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1nccc(C(F)F)n1 805322780 HDSIHPHOUDVLRO-OWOJBTEDSA-N 425.279 4.781 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 818857063 LDGABXBILMZFHB-UXHICEINSA-N 444.572 4.512 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](F)CC2CCCCC2)c(C(=O)OCC)c1C 1124820205 CLHYANQNQOQODI-HNNXBMFYSA-N 425.522 4.823 30 10 IJEE C=CCN(C(=O)c1ccc(N2CCC(C)CC2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1128002769 ABCWVSNAWJXVPK-VWLOTQADSA-N 434.580 4.726 30 10 IJEE N#Cc1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1Cl 1128344635 AROGAJVNNBOSFR-UHFFFAOYSA-N 439.298 4.791 30 10 IJEE CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1133483789 CBROZAJVAVHABC-JOCHJYFZSA-N 449.551 4.609 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C 1138258953 VBUFXPWLWXCHCH-JOCHJYFZSA-N 438.524 4.595 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)c1ccccc1 1140598456 SLBQWWHMPWNMSW-HOFKKMOUSA-N 445.563 4.668 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 1142470023 QXQFXRPCPPKFPQ-IRXDYDNUSA-N 444.906 4.818 30 10 IJEE C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1160211589 UWGIKECUBRUYKD-IBGZPJMESA-N 428.573 4.998 30 10 IJEE CCOc1ccc([C@H](C)NCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OCC 1168592014 BTOQEEPVUPEBFC-INIZCTEOSA-N 441.597 4.975 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1nc(C)nc(C)c1Br 1185875126 TUJDIAVORYSYOL-UHFFFAOYSA-N 446.374 4.672 30 10 IJEE C=CCCS(=O)(=O)N[C@@H](CC)c1ccccc1OCc1ccccc1Br 1209671888 ARVBLYCRHBSPHK-IBGZPJMESA-N 438.387 4.975 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc3c(c2)C(=O)CC3)c1 1209789693 BXSNEDLUZJMNQZ-UHFFFAOYSA-N 436.920 4.736 30 10 IJEE C=C(C)[C@@H](NC(=O)N(CCN(C)C(=O)OC(C)(C)C)C(C)C)c1ccc(F)c(F)c1 1234566500 NEOCYSUZSIJKSR-LJQANCHMSA-N 425.520 4.869 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2(C(=O)OC(C)(C)C)CCCCCC2)cc1OC 1278236859 XYMGNUSNDDQJMI-OWBHPGMISA-N 429.557 4.824 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[C@H]2CCCOC2)c(OC)c1 1280171778 OODAUNXITSFAAJ-KRWDZBQOSA-N 443.927 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccnc(SCC)c1 1286302462 TZUKGIKZUKPTBM-INIZCTEOSA-N 441.988 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](c1cccnc1)C(C)C 1286304461 NEVNKMDQJQSIHA-XXBNENTESA-N 426.568 4.643 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCCC(F)(F)C1 1286415109 DIDOMIQJOQRILZ-NRFANRHFSA-N 440.538 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC[C@H]1C[C@H](F)C1 1286519424 XFLDCIPRKAQQDJ-AJGMTHFWSA-N 440.563 4.947 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286689315 LOGRRNILJKAONA-HDICACEKSA-N 428.531 4.600 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1286701514 XDVUIKINEWNPPI-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(SC)CC1 1286718472 KWZSJKPIKKNHOZ-UHFFFAOYSA-N 427.799 4.879 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)cn1 1286760730 PHYLGKSCACXDOG-UHFFFAOYSA-N 448.933 4.811 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)c2ncc(C)s2)C1 1286808366 VYKANLBFLOKIBW-NQIIRXRSSA-N 437.613 4.527 30 10 IJEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1287220295 HTZBKMPSXRWCPX-OALUTQOASA-N 446.521 4.893 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1291083401 BDRWPXYHIKDIFI-IRLDBZIGSA-N 434.632 4.891 30 10 IJEE CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1294554783 GAHJLMRLCMIQCI-UHFFFAOYSA-N 428.462 4.905 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1297431205 AEVUUFDGZSTWBN-FQEVSTJZSA-N 426.582 4.625 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](OC)c1ccccc1 1300517087 XCVCTKFNWGMQKA-KNQAVFIVSA-N 444.604 4.592 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(Cl)s1 1300653143 JNXIMACXIWWYPB-LJQANCHMSA-N 428.989 4.669 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC=C(C(F)(F)F)CC1 1300743342 NISCFOAPRFTAAZ-UHFFFAOYSA-N 426.895 4.664 30 10 IJEE C=C(C)COCCn1c(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C 1301002054 SPNRADIFJWZUSK-IBGZPJMESA-N 436.959 4.539 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1301041064 JQKWUVSTCFEZQV-DLBZAZTESA-N 436.025 4.889 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1301120484 SQSIQYJDHVLXGM-VWPQPMDRSA-N 429.653 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cscn1 1301141911 SFCDUZJPPFIKKM-UHFFFAOYSA-N 427.574 4.658 30 10 IJEE C=CCCCCn1c(N2CCc3sccc3[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1301198080 AWYSJQGSQHXJSF-WMZHIEFXSA-N 430.618 4.862 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cnc(C)s1)C1CC1 1301320967 SJJCEOWQSQFRPV-UHFFFAOYSA-N 439.585 4.709 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)CCC 1301482070 RXYBKNTTXKOBJC-CQSZACIVSA-N 431.993 4.740 30 10 IJEE CC(C)(CN1CCCC1)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1302344849 FIDBSPZQJQTWBC-XMMPIXPASA-N 441.023 4.851 30 10 IJEE C#C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)c1ccc(Cl)cc1 1309559126 SACVXKBSRHFYIP-OAHLLOKOSA-N 433.154 4.550 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCC[C@@H]3CCCC[C@@H]3O)cc2Cl)c1 1310251277 CBZKKUBOOSFERW-RXVVDRJESA-N 427.932 4.853 30 10 IJEE C=CCc1cc(CNC(=O)N(C)CCc2cccc(Br)c2)cc(OC)c1OC 1311746629 ATYUZDWILPDIJK-UHFFFAOYSA-N 447.373 4.579 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1356505862 BDGSGHXKJXVSDA-KRWDZBQOSA-N 430.595 4.638 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)=C(C)C1 1359050041 DUGHRVNBQTZEGV-UHFFFAOYSA-N 449.393 4.760 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(C)cs1 1359062853 VUTUMFTWAWCJKG-RTBURBONSA-N 432.659 4.569 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1OC 1359102071 VZUWAOQEGCYJGA-NFBKMPQASA-N 438.597 4.557 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](CN3CCCC[C@@H]3C)C2)nnc1C(C)(C)C 1359104908 HIDVNEPYMHHLDG-AFXVXQJMSA-N 443.680 4.648 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(CC)C1CC1 1359105013 ITOFLXGAPYSKNA-VGOFRKELSA-N 428.602 4.549 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1C(F)(F)F 1359110280 HCURSNAKFBQFKP-UHFFFAOYSA-N 431.462 4.818 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H](C)C#N 1359127122 JAGVAPAIBNPPKO-IBGZPJMESA-N 432.572 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1ccco1 1359187360 KTHCOZVDOHEYAA-KRWDZBQOSA-N 446.555 4.585 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C[C@H]1CC 1359222549 LEJMOJFAULDCFR-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 1359224451 RNXNXBAODFTCCS-UHFFFAOYSA-N 434.371 4.975 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C 1359257923 AIRBQXZXXWZLBI-UPVQGACJSA-N 431.584 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cc(OC)ccc1OC 1359263074 OTDXMMVKIJMSRM-UHFFFAOYSA-N 449.580 4.603 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1nccs1 1359277695 SQKOEBNKNBHTRB-MJGOQNOKSA-N 427.574 4.608 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(=C)CC1 1359345326 BLXXZDWXUWOBTO-UHFFFAOYSA-N 449.418 4.695 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)C(F)F)c3)cc2)c1 1360036485 BFALJHAJVXBSCX-UHFFFAOYSA-N 428.416 4.599 30 10 IJEE N#Cc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)c1 1361025461 FGOLICIHNAZDFT-UHFFFAOYSA-N 437.293 4.917 30 10 IJEE N#Cc1ccc(OCC(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cc1Br 1436482160 HQBHVQHLABKQIJ-OAHLLOKOSA-N 439.231 4.782 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1nc(C(F)F)cc1C1CC1 1436958161 DOKHDJGDALQTDP-GFCCVEGCSA-N 426.389 4.658 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CCCN1C(=O)OC(C)(C)C 1438317541 HNDHPCYKYMMGNZ-SANMLTNESA-N 444.535 4.961 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1443937638 PQIBUBAVFKKYIZ-UHFFFAOYSA-N 448.535 4.974 30 10 IJEE Cc1ccc(C(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c(F)c1Cl 1444829403 CVBCXKZVWZWCHG-MRXNPFEDSA-N 443.746 4.986 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 1449307396 CWQJFWHWXJXJLD-UHFFFAOYSA-N 427.504 4.843 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CNc4ccccc4)cc3)n[nH]2)c1C 1457763486 UMRDPDZSXVYISX-UHFFFAOYSA-N 426.524 4.940 30 10 IJEE C=CCn1c(SCc2cc([N+](=O)[O-])ccc2Br)nnc1-c1ccoc1C 1458825940 IKWYTVDWJDLROH-UHFFFAOYSA-N 435.303 4.996 30 10 IJEE C=CCCSCCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 1461409050 OMKRSBNFJSVGIM-UGKGYDQZSA-N 428.623 4.966 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 1464326052 FQLIHJZVPGCUCU-UHFFFAOYSA-N 431.471 4.631 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 1465188608 JYOBEFZMYWTAFU-UHFFFAOYSA-N 427.529 4.797 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 1466499298 FTZRMRHAGXTRFW-KNQAVFIVSA-N 436.552 4.750 30 10 IJEE N#Cc1ccc(CN(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C2CC2)cc1 1467295040 DGSQBJNKMITXKQ-UHFFFAOYSA-N 426.476 4.646 30 10 IJEE C=C(CNC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 1470420048 KAQPCNPWFFWBLB-OAQYLSRUSA-N 427.589 4.959 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cccc(OC)c2)CC1 1471154888 MHUWJBQWCCVEAL-HXUWFJFHSA-N 436.980 4.512 30 10 IJEE N#CCC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccccc1 1477860959 CGBDWGQALVOPOC-IRLDBZIGSA-N 428.939 4.788 30 10 IJEE CC[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1495451286 AUHLFOLYSDMZJD-MWTRTKDXSA-N 438.482 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](CC(C)C)N(C)C 1507524840 XOEDSEQZZHSHSK-ICSRJNTNSA-N 427.662 4.710 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1507558233 GVBZTSZFEKSFSJ-UHFFFAOYSA-N 445.567 4.504 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1507567269 OICZNDDYAIOZCZ-UHFFFAOYSA-N 443.595 4.618 30 10 IJEE C#CCCCCn1c(N(C)[C@@H]2CCC[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507575968 WXHWAYRMIRLBJR-UWHLTILDSA-N 443.636 4.867 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](c1cccnc1)C(C)C 1507601541 HFKIJJSMBADFPO-FYYLOGMGSA-N 431.584 4.939 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1[C@@H]1C[C@H]1C(C)C 1507663920 MTSREIZKNJVLKH-XZOQPEGZSA-N 428.536 4.797 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507679606 ONQSNLHILKEBDS-CNNODRBYSA-N 445.007 4.982 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1507754124 SMECCBZHWCSNCO-MRXNPFEDSA-N 447.446 4.729 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nnc1C(C)(C)C 1507811231 OUBQOURWCQVHCW-WIYYLYMNSA-N 439.560 4.634 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1507833385 OPEVBMAAMYLMBZ-UHFFFAOYSA-N 448.615 4.780 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](CC)C1 1507840595 NJGMHQBNGWLJQT-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)COCC)CC1 1507880555 KFPVPARDYNKKMC-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2CC[C@H](OC)C(F)(F)F)CC1 1507900815 VSCZDSJUDVCYDY-IBGZPJMESA-N 445.489 4.863 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1507910482 TTZTXKYIJCGWGC-VWLOTQADSA-N 434.588 4.854 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1507947694 IKHDNJIPGBVGTA-ZWKOTPCHSA-N 445.633 4.818 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1nc(C)cs1 1508008286 MPRKZQAMVDQYCP-AEFFLSMTSA-N 443.642 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccncc1 1508008956 LXBAWHOVVGAGFQ-UHFFFAOYSA-N 436.972 4.885 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@](F)(C#N)C2)C1 1512173177 HDHQWZJDLBGIDN-HXOBKFHXSA-N 444.986 4.551 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(CC)[C@H](c3ccccc3)c3ccc(F)cc3)cc2C1=O 1521037818 ASQSQMGGWPWDIK-XMMPIXPASA-N 442.490 4.859 30 10 IJEE C=CC[C@@H]1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)C1 1529815378 JVSBHKHWBILVFX-LJQANCHMSA-N 448.592 4.768 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 1530533920 PWJVUNCSOLFCMA-WBVHZDCISA-N 441.778 4.851 30 10 IJEE C=CCn1c(SCC(=O)Nc2cncc(Cl)c2C)nnc1-c1ccc(Cl)cc1 1534491407 STQSCLJFRIJORZ-UHFFFAOYSA-N 434.352 4.872 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)C3(c4c(Cl)cccc4Cl)CCC3)C2=O)cc1 1536961958 DWPIAQBTMOPPPP-IBGZPJMESA-N 442.346 4.599 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cccc(Br)c1I 1537130398 DNTVZVGIIGGZKD-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1538257244 ZNSUMMPURJYRFV-MOPGFXCFSA-N 434.305 4.930 30 10 IJEE C=CC[C@@]1(C(=O)N2CCn3c(cc4c(Cl)cccc43)C2)CCCN1C(=O)OC(C)(C)C 1538526125 XOOMNHMBTXOFDV-DEOSSOPVSA-N 443.975 4.983 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 1538891268 IELGWJBJSLACRB-LBPRGKRZSA-N 434.115 4.625 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CC(C)C)N(C)C 1538977004 RQVFIUYKYGTAPY-RDPSFJRHSA-N 446.643 4.787 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1CCN(CCC)CC1 1539392697 SQRXVFNPJUSVSB-UHFFFAOYSA-N 439.623 4.768 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C)CC1 1539622078 VKOGCVQMPAGPCL-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)CN1CCCC1 1539651984 MNRFLAWCDZQKGO-HXUWFJFHSA-N 432.616 4.936 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCCCO1 1539728036 BUHNQKCYYNLRIC-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1539929226 OYWDAZPDEUZODD-RUZDIDTESA-N 442.604 4.863 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(C)CCCS1 1540058963 JGPYDZGTBSZLJM-IBGZPJMESA-N 437.407 4.624 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@H]1CCCCO1 1540191995 UBPMBRIDEBLAOW-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC2(CCCC2)C1 1540857888 URDMUJRVFOPRGV-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 1543792714 OPJBWPBVHLCNHM-UHFFFAOYSA-N 426.516 4.821 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCCN1C(=O)OC(C)(C)C 1544516985 GEZPQUJOHSOFGQ-BKMJKUGQSA-N 441.616 4.594 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)c(C)c2c1 1545010432 JFDVFQKLRXSPSA-UHFFFAOYSA-N 426.476 4.632 30 10 IJEE C#CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)[C@@H]1CCc2ccccc21 1559499130 JBHGUYWQVLBLPS-HSZRJFAPSA-N 426.564 4.731 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccccc1 1586026770 BAULEUSRDCZUBL-HKBQPEDESA-N 430.533 4.972 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 1586140482 WWPXBENQRKKSOM-DVECYGJZSA-N 434.580 4.952 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)c1 1586361107 FOHFCHRNNAEEFQ-DEOSSOPVSA-N 434.442 4.629 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1587915217 GJHMARQVPWBZHN-FQEVSTJZSA-N 427.474 4.546 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCO[C@@H]1CCCC[C@H]1C 1588011851 MLXMFIZDKLXJGP-FYYLOGMGSA-N 438.616 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCOC(C)(C)C 1588185550 IWNXFSVGNRAVJP-UHFFFAOYSA-N 447.608 4.655 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](Oc2ccccn2)C1 1593600536 PEPBBLTZTYVOQB-INIZCTEOSA-N 430.339 4.881 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2Cc2ccc(C#N)o2)CC1 1594194613 XJUIOUAOXJJLMP-SFHVURJKSA-N 447.539 4.732 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCSCc2ccccc2F)CC1 1594247911 SSMZSUPUMICVLR-UHFFFAOYSA-N 437.588 4.739 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSCC1 1594590986 HJOLXYCXBKVZNT-UHFFFAOYSA-N 437.407 4.626 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1594720510 NYZKGKNYNXYKOA-QGZVFWFLSA-N 429.977 4.908 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCc2ccc(Br)cc2C1 1594743906 DLJVYKVITHNCHI-UHFFFAOYSA-N 438.373 4.555 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCCCO1 1595133831 NCAXYTYXUSVWOQ-UNMCSNQZSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(CC)s1 1595150001 ZVTWSHPHPHTPHB-UHFFFAOYSA-N 447.593 4.533 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCSC1 1595165213 CSSNZGFFOHURFI-IBGZPJMESA-N 442.658 4.537 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C 1595166950 ZVIGATPPPSCQND-FYYLOGMGSA-N 437.632 4.647 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCc2cc(OC)ccc21 1595223432 UKFIIKDCVJDTBQ-HXUWFJFHSA-N 449.624 4.941 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1596142084 NUBPXLKLWINGGO-IBGZPJMESA-N 442.600 4.613 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 1597190055 GJWVVDSTIHHBMT-HNNXBMFYSA-N 434.849 4.857 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2c(C)sc(C)c2C(=O)OC)s1 1597833528 FJDMVONUPPHORD-UHFFFAOYSA-N 431.004 4.942 30 10 IJEE CCCn1c(SCc2cc(F)ccc2C#N)nc2ccc(Br)cc2c1=O 1613294547 GOHUMNSTWAJTCL-UHFFFAOYSA-N 432.318 4.872 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F 1618140448 QXDMXAQLPFOUEX-CABCVRRESA-N 426.920 4.827 30 10 IJEE C[C@H](C#N)N(CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccc(C(F)(F)F)c1 1618725742 BPPPIWMFZJMFRR-GFCCVEGCSA-N 436.434 4.807 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1 1622434510 ZRILCGMTASDCIJ-HXUWFJFHSA-N 427.397 4.693 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 1624049953 BABNPPVLWJFZIG-UHFFFAOYSA-N 444.940 4.605 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)CN(C(=O)OC(C)(C)C)C1 1624615762 NOWNKMOOHAGAFC-SFHVURJKSA-N 448.991 4.771 30 10 IJEE C=CC[C@H]1N(C(=O)CSCC(=O)Nc2cccc(Br)c2)CCCC1(C)C 1626454515 RSNXOANLQDDYOQ-QGZVFWFLSA-N 439.419 4.714 30 10 IJEE C=CC1(CC(=O)N(Cc2cccc(Br)c2)C2CC2)CN(C(=O)OC(C)(C)C)C1 1627200563 NZRWTKAHSGYTAE-UHFFFAOYSA-N 449.389 4.753 30 10 IJEE C=CC1(CC(=O)NCCc2nc(C3CCCCC3)cs2)CN(C(=O)OC(C)(C)C)C1 1628115797 XKRZXRUOMNIMMX-UHFFFAOYSA-N 433.618 4.663 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1633584669 ISVNRYWLYDXYOT-IOMROCGXSA-N 433.568 4.963 30 10 IJEE C#C[C@H](NC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C)c1ccc(Cl)cc1F 1635191807 QPOMQOLNLRMBCO-KRWDZBQOSA-N 446.906 4.585 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(C)n(-c2cc(C)on2)c1C 1638807587 FYHMINMRTRKXRC-UHFFFAOYSA-N 430.302 4.970 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 1638814812 OXYYFJNJYIJVDE-MRXNPFEDSA-N 449.732 4.659 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OCC)C(C)C)nc2cc(-c3ccccc3)sc2c1=O 1640772232 RZAJPDVQVVVRLZ-GOSISDBHSA-N 428.579 4.991 30 10 IJEE Cc1cc(C2(NC[C@@H](O)COc3ccccc3C#N)CCCCC2)ccc1Br 1646214387 ADSIGCNQVOEKFK-HXUWFJFHSA-N 443.385 4.818 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CNc1ncc(C#N)cc1Br)Cc1ccccc1 1651899837 GELKJPVZNSAGEQ-KRWDZBQOSA-N 445.361 4.606 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)c(F)c1 1654927460 AGXWHWVPDIWKQV-UHFFFAOYSA-N 430.398 4.603 30 10 IJEE C=C(C)C[C@@H](NCc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(=O)OC 1659832698 QLTAYLPXBDEXQJ-OAQYLSRUSA-N 425.529 4.693 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(c2ccccc2)CCCO1 1662577370 PNDCZXRZDZTYLB-NRFANRHFSA-N 431.330 4.841 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1665390848 ISIJKADEYKXYNK-WOJBJXKFSA-N 441.597 4.573 30 10 IJEE C#CCC1(NC(=O)Nc2cnn(-c3cc(F)c(OC)cc3F)c2CCC)CCCCC1 1670849818 QKUQDRAMCPPOIQ-UHFFFAOYSA-N 430.499 4.959 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 1671672969 GXRYHAIQJASYPL-XZOQPEGZSA-N 449.551 4.881 30 10 IJEE C=CCC1(CNC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CCCC1 1672662866 WOBGJZQQRQNXHF-UHFFFAOYSA-N 448.405 4.946 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ncc(-c2ccccc2)[nH]1 1672708914 WPWACZWHHQSTEX-UHFFFAOYSA-N 427.302 4.726 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 1673376558 MFQGJYVYTWWUTP-SFHVURJKSA-N 433.474 4.851 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)cc1 1673441712 WERXKVNYNMMRCV-HNNXBMFYSA-N 443.935 4.517 30 10 IJEE CC#CC[C@H](CO)NC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 1674143764 BAXRUAJNLPUMMB-MRXNPFEDSA-N 427.863 4.715 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCCCc3ccc(Br)cc3F)cc21 1674679254 GKBWFVNNHVUQDS-UHFFFAOYSA-N 431.309 4.878 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@@H]21 1675008913 SCAUIVYJIJIWQQ-HLAWJBBLSA-N 427.342 4.807 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccc(Cl)cc1F 1676641443 FAEKVBHEJWRZAY-INIZCTEOSA-N 444.812 4.603 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1686920302 VSIDDAHBILHEFT-RTWAWAEBSA-N 425.573 4.620 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1csc(CC)n1 1689885691 RFZHVCAZDKEHGO-UHFFFAOYSA-N 432.597 4.896 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC2(CCC2)C1 1690232271 FVAOHXXLBRDRJX-UHFFFAOYSA-N 431.378 4.763 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1690408815 YIYRQNJPINJZTQ-LJQANCHMSA-N 448.468 4.702 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)CC1 1690417357 OLTRUCPXSUGPHV-UHFFFAOYSA-N 443.020 4.716 30 10 IJEE C=CC[C@H](Cn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1C(C)(C)C)c1ccccc1 1690447588 SJPQOVKYJXMREY-FYYLOGMGSA-N 448.615 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H](C)c1c(C)noc1C 1690579367 KKQUQIBORJOIIQ-KRWDZBQOSA-N 448.596 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc2c(n1)CCCC2 1690600786 DLPIYNLCNUSKSB-UHFFFAOYSA-N 443.595 4.974 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C)=C(C)C1 1690661798 HRCVHPCVVDOFPA-UHFFFAOYSA-N 441.988 4.662 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1CCc1c[nH]c2cc(F)ccc12 1692343466 HIVBBTQDGICDTJ-UHFFFAOYSA-N 445.546 4.969 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C[C@H](C)C1)c1ccco1 1695622498 DDWUFTHGRBNHMB-SXWKCWPCSA-N 446.599 4.975 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CCOC)C1 1696536562 APQBZEQLZUMCIM-NHCUHLMSSA-N 441.645 4.990 30 10 IJEE CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC1(C)C 1696722140 CYPPCGFOLRPKOE-HNNXBMFYSA-N 446.502 4.975 30 10 IJEE COC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1697086990 AXQRSKNWFDMJDJ-NTKDMRAZSA-N 425.577 4.590 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](OCC)C1 1705654882 WJXFXLQBMZLVJM-PKOBYXMFSA-N 444.670 4.503 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C(C)C)C1 1705685009 KCQZGBXTKGJRDD-QGZVFWFLSA-N 442.361 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCOC[C@H]1OC 1705712159 LHOFGRKOKVIORD-DNVCBOLYSA-N 439.387 4.706 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1Cc1ccccc1 1705723074 YMMQEJZSSVYAKS-GOSISDBHSA-N 426.362 4.823 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@H]2CCCCO2)CC1 1705765924 HHSPLFCQXZJTNE-NRFANRHFSA-N 440.588 4.858 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCOC2CCCCCC2)CC1 1705771727 CCWASBWBQPUFJB-UHFFFAOYSA-N 428.552 4.892 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1705813155 XBNNZYRMLFHSNY-LJQANCHMSA-N 430.455 4.684 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@](C)(OC)CC1 1705826209 RFUFECAZGFCDFM-QHCPKHFHSA-N 448.995 4.595 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)C1CC1)C1CC1 1705850528 WXMNIMVCDYDMHP-IBGZPJMESA-N 431.378 4.596 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1OC)C1CC1 1705851085 UFJVTGGJHHDVKM-HNAYVOBHSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC=CCC1 1705865547 ZSBPHHFZGQUJTH-OAQYLSRUSA-N 434.563 4.828 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccnc(SC)c1 1705870126 CPQFZMUVPXTVCL-UHFFFAOYSA-N 443.580 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@H](O)C1 1705871178 AGKLJHGYVUKPNT-RDJZCZTQSA-N 449.368 4.576 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC)[C@H](C)C1 1705942227 LEFCOBBXJQRKNE-LJQANCHMSA-N 427.662 4.692 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1722317222 NPASNHKZLVOIRK-QFIPXVFZSA-N 436.531 4.892 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(N(C)C)c(F)c1 1722345581 IEBBUHJIYRHVPS-UHFFFAOYSA-N 437.588 4.598 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1722465597 PAKZEQWQRMJGLC-ICSRJNTNSA-N 428.577 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1 1722495417 RUAYFSSCDNBPOR-FKBYEOEOSA-N 437.613 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1cccc(C)c1 1722501048 LHUFQAGYOCACEC-PXDATVDWSA-N 426.605 4.833 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC1CC(F)C1 1722505618 RSSNGSSLVMQPNN-GTJZEUBQSA-N 442.579 4.639 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCCO1 1722520840 OOGIXDCQSQDQCW-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1722620307 QOXXWOHAMPJPNV-HXUWFJFHSA-N 435.597 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1c(Cl)cccc1OC 1722675418 POMONGDPASCHFQ-UHFFFAOYSA-N 429.977 4.523 30 10 IJEE CC[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)c1ccsc1 1726914480 DEMADJZFQUBHAM-AVRWGWEMSA-N 447.608 4.926 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H](c1cccnc1)C(C)C 1740557586 ORDVOZJHIXGNSK-GGAORHGYSA-N 431.584 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1cccnc1)C(C)C 1740735312 ZGCOFLOCNYTDCL-SHQCIBLASA-N 443.595 4.992 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1c(C)noc1C 1740738489 IEFQKSRZWDFPBC-GOSISDBHSA-N 444.377 4.970 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=C)Br)CC1 1740833598 UCHBOCYHJGTCFX-OAHLLOKOSA-N 435.341 4.868 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CC2(c3ccc(F)cc3)CCOCC2)CC1 1740840396 XZVXERYJUFFOFO-UHFFFAOYSA-N 426.580 4.767 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCCc1ccccn1 1740850182 DBPFSJKIIYBSRM-HSZRJFAPSA-N 447.583 4.857 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCCc1ccccn1 1740850183 DBPFSJKIIYBSRM-QHCPKHFHSA-N 447.583 4.857 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1740852614 QHPDXOXJTLZDBQ-HXUWFJFHSA-N 439.604 4.732 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)COC)C1CC1 1740908178 NKRYOUOMYQPUNE-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC1(C)CCOCC1 1740918526 QTLIBFCEAADRNS-UHFFFAOYSA-N 437.613 4.643 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1740922535 KMORGFALDDSOBY-UHFFFAOYSA-N 426.505 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1CC(C)(C)NC(=O)OC(C)(C)C 1740931485 ODLDVIYNIYGYIR-UHFFFAOYSA-N 439.604 4.659 30 10 IJEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1740947142 SDBSGUZFILIWKH-FQEVSTJZSA-N 439.560 4.615 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCc2sccc2C)c1 1742358082 FGPPIDNHSCEYNW-DEOSSOPVSA-N 435.597 4.908 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CCSC 1744872438 FVFVLAQNUBLHTF-UGKGYDQZSA-N 440.661 4.659 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCSc1nccs1 1748641360 FWPNHXCUCORNFI-MJGOQNOKSA-N 425.627 4.917 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1nc(C)cs1 1748833508 TWHCCTKVOZFMAD-KRWDZBQOSA-N 449.649 4.917 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCOCC1 1749123740 IAGLQPXCXAFWCX-DYESRHJHSA-N 448.970 4.582 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1ccco1 1749209055 KYLOMEKIXLUQPT-MSOLQXFVSA-N 427.549 4.861 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749407974 BOAWWEDMMOYACU-DEOSSOPVSA-N 430.568 4.994 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1749409411 VZYFVVVEKARHAP-KRWDZBQOSA-N 433.622 4.503 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](OC)C(C)(C)C)C1CC1 1749508637 VXJBGRSCPFRDQQ-GOSISDBHSA-N 433.394 4.924 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC=C 1749537553 JYYWGGZWBFYDTH-UHFFFAOYSA-N 437.588 4.771 30 10 IJEE CC(F)(F)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1 1751180837 HCSRXWDZPFGTJC-NRFANRHFSA-N 426.471 4.775 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCCc1ccnc(C(C)(C)C)n1 1760108529 GWDMZOZNKNUJLU-KRWDZBQOSA-N 436.991 4.777 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1760133064 UUGQBUZXOKNQKK-GOTSBHOMSA-N 449.643 4.848 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1OCC 1760167481 RGCIFVISOADJHI-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCC=CO1 1760198695 NQFQPKFSYKWWTA-FQEVSTJZSA-N 432.524 4.578 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H](C)C1 1760278195 MNVQIFPWJCFZSK-CVEARBPZSA-N 433.419 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(C)C1 1760315861 JTKNRGZMBQJWDA-JQVVWYNYSA-N 426.536 4.695 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCn2ccnc2C)CC1 1760384760 GYDFVACGBKWKEP-UHFFFAOYSA-N 447.406 4.521 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCCN2CCCC2)CC1 1760393615 SYGHGXKMBUEXAN-FGZHOGPDSA-N 429.653 4.619 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CCC)C(=O)C1 1760423588 FYNICNFDEYSLOL-UHFFFAOYSA-N 433.959 4.543 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760445682 SAQOOQXNRRSQDD-HXUWFJFHSA-N 439.604 4.612 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1csc(C)n1 1760466832 KEWCRZAPPIXPTN-UHFFFAOYSA-N 425.602 4.919 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1cccn(CC)c1=O 1760485222 WQTXUKAXRZWNJD-UHFFFAOYSA-N 449.574 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCC[C@H]1C 1760487236 MOIUMEYUEVCNAH-KOSHJBKYSA-N 440.588 4.813 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1760487783 DLDHTAJTNBVAIL-OFVILXPXSA-N 436.604 4.675 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2c(C)cccc2C1)C(C)C 1760489311 FWBGAQUOYLQTKJ-JWQCQUIFSA-N 449.643 4.699 30 10 IJEE CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)COC)s1 1764595194 DQGKRBZPJYVXHE-NVXWUHKLSA-N 438.601 4.624 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1)C1CCCC1 1766510084 DVHQQHXIQKZSGM-GOSISDBHSA-N 429.515 4.933 30 10 IJEE CCSc1cc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(C#N)C2)ccn1 1766768723 FDKLXXTXPWNAJF-DEOSSOPVSA-N 432.597 4.939 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccs1 1768637517 GBPNRHLORKDXKK-NHCUHLMSSA-N 435.597 4.815 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCSC(C)C 1768993572 DZGMXSNHFSYQBZ-QFIPXVFZSA-N 445.658 4.851 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)O1 1770661156 DGPNEXPQJUQCBB-QXGSTGNESA-N 433.478 4.724 30 10 IJEE CCCCCCCCCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1858631175 KFECKBFTMZMYMY-UHFFFAOYSA-N 431.440 4.506 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc3oc(-c4ccccn4)nc3c2)c(C#N)c1C 1859735929 CPSLEIIKMAJTDY-UHFFFAOYSA-N 432.461 4.560 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861190979 WCOIRABDOZUCEZ-ISKFKSNPSA-N 445.623 4.505 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 1862391159 ULSMHBMUXGJHAG-GGAORHGYSA-N 437.511 4.926 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)cc1 1862415375 VPGXZZNDOKBKHW-QHCPKHFHSA-N 448.469 4.809 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccccc1)c1ccccc1Cl 1862429351 LEMMMGGJYQBPFW-QFIPXVFZSA-N 433.891 4.997 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1Cl 1862433208 XHYTZUFBUDRZDR-IBGZPJMESA-N 434.319 4.998 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(C)(C)C)cc1 1862434805 HRKIWIXCROJGDK-HXUWFJFHSA-N 427.928 4.862 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(O)c1 1862468496 QBLOABZOOFOOPM-SGTLLEGYSA-N 430.298 4.532 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(Br)cc1 1862496100 BLSNDWITFALCKX-IBGZPJMESA-N 426.310 4.830 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862505126 KTKZRLZYQWYOCA-JOCHJYFZSA-N 439.483 4.759 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540019 DFIZTSVOTXCGOH-LJQANCHMSA-N 426.856 4.551 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCCCN(C)C 1862545139 TUFBXLJAYSLOTK-VWLOTQADSA-N 446.591 4.794 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862591563 JLGDYIITZQNRQD-WAIKUNEKSA-N 429.472 4.740 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862618022 NDAQOZXMLLONEO-GMAHTHKFSA-N 449.547 4.750 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl)c1ccc2c(c1)OCO2 1862627522 PCFQZFKPEPAFOB-NRFANRHFSA-N 439.895 4.980 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(F)(F)F)cc1 1862634124 UIAIMFOUWGGQBR-CWTRNNRKSA-N 447.409 4.811 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccc(C)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862905428 MUKKQHKWSIHTKL-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)C(C)C)cc2)=C(c2cccc3ccccc23)C1=O 1863227945 KAIBSHINEMYPDB-UHFFFAOYSA-N 439.515 4.812 30 10 IJEE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866781413 IVWONHMHEBIMCB-RPWUZVMVSA-N 429.495 4.753 30 10 IJEE CC[C@@](C)(NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867754692 DHXWUXHSTOMSBH-VGOFRKELSA-N 448.350 4.590 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl 1870153976 KDCDFHTZKFYLTP-UHFFFAOYSA-N 428.613 4.630 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CSCc2ccccc2)cc1=O 1870244801 IPXSEUGMPOAPFQ-UHFFFAOYSA-N 437.561 4.934 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1871005392 DPPDCOALCZHVIC-UHFFFAOYSA-N 446.547 4.513 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C[C@@H](C)O1 1871395333 OARVIZJMKPNOIM-OPRCEYEOSA-N 434.319 4.924 30 10 IJEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871447303 YIGGWDFKPRQSAX-HMAPJEAMSA-N 433.460 4.929 30 10 IJEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 1872759128 FJVDYRBEVPZKLV-PDFOZTTASA-N 435.461 4.625 30 10 IJEE CCc1cccc(C)c1N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)CC1=O 1872767823 AUCDRASHEMKDHD-UXHICEINSA-N 429.545 4.910 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2cccc(OC)c2)C1=O 1873041922 YTJUZBCOGIWJAP-JOCHJYFZSA-N 442.600 4.684 30 10 IJEE C=CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873592062 ZZVGTBMYGCBLGZ-IAGOWNOFSA-N 437.975 4.683 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(NCCCCCCO)ncnc21 1873643358 LNEHYXFTZKYMGJ-UHFFFAOYSA-N 435.572 4.958 30 10 IJEE Cc1ccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874336226 DJIOLVKHGZWCAY-XDEFOSFOSA-N 447.608 4.528 30 10 IJEE Oc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2F)cc1 1874346216 CKVAARKIZBWQGF-WGOQTCKBSA-N 448.523 4.919 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874416932 PDHHTBMCHCDQKP-WSDLNYQXSA-N 443.370 4.887 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2[C@@H]2CCCO2)c1 1874444244 UZYHSJIDCLFUDL-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1cccs1 1874483239 LHCDPQFPBCFIFH-LPYMAVHISA-N 427.599 4.813 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(Cl)c(OC(=O)c2cnccn2)c(OC)c1 1875143550 FIDQYUQEDXYBFN-AATRIKPKSA-N 438.867 4.571 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccc(OC)cc3)ncnc2n1CC(C)C 1875207742 DUWHZGKKNGRTCR-UHFFFAOYSA-N 447.583 4.565 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)N1CCC(Cc3ccccc3)CC1)n2CCCC 1875213345 LKZANPHNMPVGFO-UHFFFAOYSA-N 431.584 4.924 30 10 IJEE N#CC1(c2ccc(C(=O)N3CCC(COc4ccnc(C(F)(F)F)c4)CC3)cc2)CC1 1890957540 JBFFICRQMWIJAJ-UHFFFAOYSA-N 429.442 4.587 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)ccc1Br 1898324291 KQLLIRNYPLGOGX-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 1922068235 HJIAQGLNSWJVKL-VABKMULXSA-N 446.632 4.524 30 10 IJEE C=C(COCc1ccccc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c1ccccc1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035467737 GOFPWKXZQIBAKP-JWQCQUIFSA-N 436.596 4.907 30 10 IJEE Cc1cc(C=N[C@@H](CO)[C@@H](O)c2cccc(O)c2)c(C)n1-c1cc(Cl)ccc1Cl 2040465253 FKNSKBGQKBTFRA-UNMCSNQZSA-N 433.335 4.620 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C[C@@H]1C 2070622650 WQNYFBIBPJEJBR-KJOQGJGQSA-N 446.632 4.526 30 10 IJEE CN1C[C@@H]2[C@@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2152852436 CDNSGXHZUHXHIL-GCKMJXCFSA-N 434.378 4.815 30 10 IJEE CC1(C)CC[C@@H](Nc2cc(Br)cnc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2167613860 OFLSTFHCGGVDFH-DZGCQCFKSA-N 437.382 4.847 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@](C#N)(C3CC3)C2)ccc1Br 2181053420 LESJTBXGFVDORI-HXUWFJFHSA-N 434.334 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)CC1 2181107997 NVBIIRYDFZBZOT-HIFRSBDPSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](COc2cc(Br)cnc2C#N)C2(CCCC2)C1 2198815424 LXXMQLCWFIOICW-CQSZACIVSA-N 436.350 4.522 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@@H](O)C#Cc2ccccc2Br)C1 2235744130 OHYBBKYKTSJPOY-JLMWRMLUSA-N 434.374 4.589 30 10 IJEE CC1CCC(CNC(=O)OC(C)(C)C)([C@H](N)C#Cc2ccccc2Br)CC1 2235750532 WKUJQQPRUFIQEY-COFLGROHSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CSCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2246707100 IADLRFRNRSTREY-IBGZPJMESA-N 433.423 4.619 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2251406940 KBXCGZDWMKJEKX-BVAGGSTKSA-N 426.601 4.612 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2255615564 KLCZNOFUOYNJGJ-UHFFFAOYSA-N 430.354 4.522 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2258098606 CWKWDBHTTVRDMV-CYAXWHSWSA-N 448.568 4.900 30 10 IJEE C=CCCC1(C(=O)N[C@H](C)c2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2266280561 DDUKHZXGELIXFY-CYBMUJFWSA-N 443.407 4.891 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H](O)C#Cc2cccc(Br)c2)cs1 2278729596 FFLXRAPRWWSYSD-WBMJQRKESA-N 437.359 4.576 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)C(=O)C#Cc1cccc(Br)c1 2278743425 GIPBRMDFLBBYJG-INIZCTEOSA-N 440.403 4.795 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2296278356 COIGNGXNJUWJQT-WSTZPKSXSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)Cc1cccc(NC(=O)OC(C)(C)C)c1 2296288011 BKIJWRQGKOHNDY-LJQANCHMSA-N 429.358 4.978 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2296293527 KNVYDNIPIVLPAY-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2296295879 IDLVHQUDTAKAHN-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CC[C@@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317350610 VYZAZQUHXAQKAA-SFHVURJKSA-N 432.370 4.798 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2cccc(C(=O)OC)c2)cc1Cl 2318571407 JZUCKYYDTJUAEO-UHFFFAOYSA-N 444.944 4.681 30 10 IJEE CCc1ccc(NC(=O)CSc2nncn2N=Cc2c(Cl)cccc2Cl)cc1 2321248326 CYZFZTCLDVTPHD-UHFFFAOYSA-N 434.352 4.760 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)Nc2cccc(C)c2)c([N+](=O)[O-])c1 2323702120 MMMYJYFXKARUKR-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O[C@H](C)C(=O)OC(C)C)c3C)C1=O)cn2C 2324305312 YRLSBSSOLVXRMN-MRXNPFEDSA-N 449.503 4.830 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1F 2324628130 MIMPIHUCIQGDKV-MRXNPFEDSA-N 436.464 4.619 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1 2325719469 DZPMFQIXXMVKMN-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc(O)cc1O 2325883484 XHRLFLNRPMNNJV-UHFFFAOYSA-N 448.548 4.848 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2327576037 LWVWTLVMBRXCMB-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccco2)cc1 2328371948 ARADFYQAMRWRJY-UHFFFAOYSA-N 438.484 4.772 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2OC)n1N=Cc1ccccc1[N+](=O)[O-] 2328687723 CHDTUGYQYFWXTE-UHFFFAOYSA-N 437.525 4.531 30 10 IJEE COc1ccc(Cc2nnc(SCCCO)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2329291423 GKQNTJWLYFRQMM-UHFFFAOYSA-N 438.597 4.532 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C1CC1 2330884166 GXVUOLVDBNOBSJ-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2332197296 OUXRWRQHKGXWPW-UHFFFAOYSA-N 435.487 4.678 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585104 KIKIEISRYAKRJI-RXGQBHOASA-N 442.365 4.503 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339588161 DTRZANFOFZRUNQ-HKUYNNGSSA-N 444.381 4.751 30 10 IJEE C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 2929822 UHUGLHBIZHIGTE-UDWIEESQSA-N 443.908 4.833 30 10 IJEE COc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)c3ccc(OC)c(OC)c3)c1)C2=O 8823865 MHMWECDIUHDQQX-FMCGGJTJSA-N 432.428 4.548 30 10 IJEE COC(=O)c1ccc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1 33385876 UTCCPLOMPJOFMU-CIAFOILYSA-N 434.831 4.962 30 10 IJEE O=C1CCCC2=C1[C@@H](c1ccccc1Cl)n1ncc(C(=O)Nc3ccc(F)cc3)c1N2 64874101 SPEVFSKIKWLBEB-OAQYLSRUSA-N 436.874 4.950 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc3ccccc23)cc1 102485803 WWWCYSAVEZMJJF-SADKCHQCSA-N 441.512 4.934 30 10 IJEE CCOc1ccc([C@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102552104 QHCGQWKEZYLONQ-VFJWVMJUSA-N 444.443 4.754 30 10 IJEE Cc1ccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccc(C)c(F)c3)S2(=O)=O)cc1 104402204 IDJUZESMBHOJCR-UCQKPKSFSA-N 436.508 4.929 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)s1 169957174 QYQOWZSGNLGWTK-HXUWFJFHSA-N 439.581 4.737 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2ccncc2)c1 170018924 BQAAKUQESKYYHZ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@@H]3c3ccncc3)nc2c1 170027029 MMBQJOLNOKZAII-QFIPXVFZSA-N 449.470 4.531 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(OCC(C)C)c2)cc1 170040193 AECCNXZAXOHALD-HSZRJFAPSA-N 437.536 4.509 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2)cc1C 170048516 HEBNRJWXILSDAJ-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)c1 170158489 VEZUUPODRHFBEV-NRFANRHFSA-N 433.485 4.877 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1C(C)C 170229857 IGOZKQAVPQEECW-CYFREDJKSA-N 449.547 4.884 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1c[nH]c2ccccc12 170254643 PTSRUHWPSFHFTG-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)cc1C 170257976 AXLWCFAWOQBEPR-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2sccc2C)c1 170314349 HRWKQJXAXGKESM-HXUWFJFHSA-N 433.485 4.877 30 10 IJEE COC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(C)c2)cc1 170343406 AOESNYACSWWXJU-JOCHJYFZSA-N 447.512 4.555 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1 170421663 CLJSEBZWQMTQML-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cc(/C=C\C(=O)c2c(C)nn(-c3ccccc3)c2C)cc(Br)c1O 214907256 FWSZWIFQWYDBIC-KTKRTIGZSA-N 427.298 4.862 30 10 IJEE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CC(C#N)(C#N)C(C#N)C#N 252694908 RTKFWGFLHGHLEO-GXPHPUSFSA-N 444.579 4.582 30 10 IJEE CO/N=C/c1ccc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 301844067 ASXVNTYEQVEVMW-MFKUBSTISA-N 430.533 4.853 30 10 IJEE C=C([C@H](NCC)c1cc(I)ccc1Br)C(F)(F)F 311066051 YAIBNVUIXNEWFK-NSHDSACASA-N 434.037 4.823 30 10 IJEE CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1C#N 435556344 LXJNPXYQECACLJ-QGZVFWFLSA-N 449.486 4.946 30 10 IJEE CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)o1 464896786 OOSOKLQSQGZXHF-UWJYYQICSA-N 428.554 4.533 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 482053274 UIHRXVUSCXIRIK-MRXNPFEDSA-N 425.495 4.851 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1 489991772 WNCWTXVYNXSKAD-UHFFFAOYSA-N 428.539 4.583 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F 503425544 DZGCXSCHPCEQRN-NRFANRHFSA-N 442.478 4.761 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 508798500 UDGJHJXNQTYINS-ZDUSSCGKSA-N 445.283 4.584 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2cccc(F)c2)C1 508816320 HWLXDMYKFLIBBR-IBGZPJMESA-N 443.320 4.611 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 512424080 NIWXIZKMWUQOMC-REWPJTCUSA-N 436.556 4.593 30 10 IJEE C=CC[C@H](C)NC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 522641983 NKIZBITYKGDOQH-AWEZNQCLSA-N 427.595 4.897 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(C)cc2)c1OC 526607510 RHVOEZXTCCCNTB-QHCPKHFHSA-N 426.472 4.941 30 10 IJEE CCOC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 526772604 KRDXLYAITILTRA-QFIPXVFZSA-N 445.446 4.785 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC(C)=O)cc1 526825850 MCQZHVFYJCRXKS-OYKKKHCWSA-N 426.517 4.860 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)Cc3ccc(C(C)(C)C)cc3)c2C#N)C1 526857338 AZMCVPOPXSPWNL-MHTXLSKPSA-N 428.623 4.929 30 10 IJEE N#Cc1cn(Cc2c(F)cccc2Br)c2ccc(Br)cc2c1=O 536739555 BMRRADNTYIUIBJ-UHFFFAOYSA-N 436.078 4.586 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)cc1OC 549150940 XFUOTMCFTMOLFI-UHFFFAOYSA-N 445.567 4.921 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccsc2)C1 549262683 OUELAUIQDLNYLP-UZLBHIALSA-N 428.533 4.773 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)OC(C)(C)C)CC1 549263723 LNTYIIWVQVPFSS-UHFFFAOYSA-N 435.572 4.571 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 555264942 ZDSHHUGNJAMTPG-ROUUACIJSA-N 431.378 4.537 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 555265020 GEXFMKRXNSPZRO-UHFFFAOYSA-N 443.511 4.690 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 557610143 CMKYLSHNAWPQOR-JMUQELJHSA-N 437.584 4.895 30 10 IJEE CCOCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 559042616 AYDPGIHNQVQQKE-QGZVFWFLSA-N 431.968 4.628 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 673732163 CBRWCDWQBODUCM-UHFFFAOYSA-N 426.520 4.938 30 10 IJEE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1ccc(C#N)c(Br)c1F)C2 705657388 ZAXAGFHOFATYCS-VXKWHMMOSA-N 428.349 4.808 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727895917 JOMAKTOOCZUXEZ-HNNXBMFYSA-N 449.482 4.652 30 10 IJEE N#Cc1ccc(-c2csc(=Nc3ccccc3C#N)n2Cc2cc3c(nc2O)CCC3)cc1 733075104 BQRRGAYUROWKFR-UHFFFAOYSA-N 449.539 4.830 30 10 IJEE N#Cc1ccccc1N=c1scc(-c2ccc3nc(O)oc3c2)n1CCOC1CCC1 743054184 DRAQZVUUAXJSOE-UHFFFAOYSA-N 432.505 4.737 30 10 IJEE CS(=O)(=O)c1ccc(-c2nc(CON=C3c4ccccc4-c4ccccc43)co2)cc1 761312488 GSSQPBOTGOTNAI-UHFFFAOYSA-N 430.485 4.695 30 10 IJEE Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=NNc1cnnc(O)c1Cl 766692056 CXFVDPGFVITTGJ-UHFFFAOYSA-N 438.850 4.707 30 10 IJEE O=C(/C=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(F)(F)F)nc1O 794701422 VFPANIXDABPESI-XFSBKJJWSA-N 427.304 4.907 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccc(C)cc1C 799213949 BASJVIIKFIWRJV-LJQANCHMSA-N 445.972 4.946 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1 814620859 JOLPBBYHJOIOSW-RPWUZVMVSA-N 449.551 4.810 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCc3nc4ccc(C)cn4c3[C@H]2CC(=O)O)c1 821243868 DGJHIAYCYOTXAN-OAQYLSRUSA-N 446.551 4.695 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(Cl)cc3)n2)c(C)c1 1084135609 UXWIITOEBVAARK-UHFFFAOYSA-N 428.949 4.642 30 10 IJEE COc1cc(Br)c(Cl)cc1C(=O)Nc1cccc(C#N)c1Br 1129876972 FEDULYOAPXZRAO-UHFFFAOYSA-N 444.510 4.998 30 10 IJEE C=CC1(CC(=O)N(CCCC)C2CC(C)(C)NC(C)(C)C2)CN(C(=O)OC(C)(C)C)C1 1136683445 CEJPFHLBJNISAK-UHFFFAOYSA-N 435.653 4.738 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1140506253 ZWGAXTVBOOWUFK-JOCHJYFZSA-N 440.588 4.505 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C(C)C 1144197971 QGNXUPMOTYJECN-IBGZPJMESA-N 426.582 4.615 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C 1164480836 SMGZLRYCGKOYPB-FKEBYFGASA-N 443.632 4.746 30 10 IJEE Cc1nsc(N2CCN(Cc3cc(F)ccc3Oc3cncc(Cl)c3)CC2)c1C#N 1182125846 GESTVPAUUSFKLQ-UHFFFAOYSA-N 443.935 4.625 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccccc4Cl)c(S)nc3c2)cc1 1184436155 FLTWBAOYQQZWBC-UHFFFAOYSA-N 445.931 4.621 30 10 IJEE C=CCn1c(SCc2cc(Br)cnc2OC)nnc1-c1ccc(C)cc1 1189025710 WDSFJYUIDKCTER-UHFFFAOYSA-N 431.359 4.898 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1)c1ccccc1 1203468231 SWYAVJWZQFVLJE-DEOSSOPVSA-N 434.584 4.570 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(n3c(O)nc4ccccc43)CC2)cc1OC 1205123579 QWOJDAXPJJRAQW-UHFFFAOYSA-N 427.932 4.806 30 10 IJEE CCCc1c(NC(=O)Nc2ccc([C@H](C)C(=O)OC)cc2)cnn1-c1cccc(C#N)c1 1206218228 AOUYMRVMCVDKKG-INIZCTEOSA-N 431.496 4.617 30 10 IJEE CO[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1214805195 FAZNZXCHAPYFRR-RPBOFIJWSA-N 427.504 4.766 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(C)(C)N1CCCCC1 1223424005 SVTIQVXSBMLOKD-UHFFFAOYSA-N 426.374 4.550 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N1CCC[C@@H](C)C1 1286278454 DAIZJCDYTBBBON-HSALFYBXSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1286281353 FLYGSFBEHZWBGT-FKBYEOEOSA-N 444.627 4.709 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(OC(F)F)c1 1286345563 WMMQWQDJMGRJOX-UHFFFAOYSA-N 431.874 4.645 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)CN1CCCC1 1286362744 HQDGXGIZFNXEJW-UHFFFAOYSA-N 448.640 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1286589887 KFMPWXDRGYPDKJ-UHFFFAOYSA-N 433.394 4.986 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](OCC(C)C)C1 1286597303 GTVVFAIDYQQFSJ-QGZVFWFLSA-N 439.387 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286667950 OHNBXTCYKAAUAT-UHFFFAOYSA-N 437.563 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286674711 UOAOXLBPEMEWDV-SIKLNZKXSA-N 426.605 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286674923 KCCAFLRGKHPCTB-OAQYLSRUSA-N 448.615 4.804 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCCN(C(C)=O)C1 1286716469 GXDXBZBMLRAAPR-MRXNPFEDSA-N 444.004 4.694 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1CCCCO1 1286720313 VUFSEFFMEGTQAX-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC(F)(F)C1 1286751202 CHFWOWWWMHVAQH-SFHVURJKSA-N 429.515 4.761 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](CCOC)C1 1286826246 BSDXRBGSVYKZQX-ROUUACIJSA-N 446.686 4.913 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H](C)c2ncc(C)s2)o1 1289538464 DVDWJAVCFNUHMN-OAHLLOKOSA-N 432.553 4.923 30 10 IJEE C=C(CC)C(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1F 1292196341 LAASMFCNKYTCLM-UHFFFAOYSA-N 438.240 4.587 30 10 IJEE C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1292822199 GWYXQZDUKCQCBS-FQEVSTJZSA-N 442.515 4.763 30 10 IJEE C=CC[C@H](CO)CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1295808051 BETRYPCYZCYIPJ-ZDUSSCGKSA-N 438.380 4.676 30 10 IJEE C[C@H]1CN(c2ccnc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c2)C[C@@H](C)O1 1296261608 AEHMQXYXZMOTCQ-HSALFYBXSA-N 440.547 4.725 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](Cc1ccccc1)OC 1300284289 QXDHVZHNYJWYMT-UGKGYDQZSA-N 448.636 4.991 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](OCC)C1 1300347139 AIJIATMBQSVZQS-UYAOXDASSA-N 426.630 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@](C)(O)c1ccsc1 1300787873 PESHAWDYXAJMLP-GPUOULLFSA-N 434.609 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CCC 1300868131 CJQFKRYEGMTCFE-MJGOQNOKSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H](OC)C1CC1 1300904631 DDPGOEYQRRWFPZ-AWEZNQCLSA-N 425.396 4.597 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1300972191 KBSGSELHBUUKDB-UYAOXDASSA-N 428.552 4.623 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1cccs1 1300981298 XLIHIDPRMOYTEP-KRWDZBQOSA-N 429.977 4.989 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](CN(CC)CC)C1 1301018449 CSWDURPXBFAVQH-IBGZPJMESA-N 439.007 4.722 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](C)N(C)C)CC1 1301130143 PSDROKHVEPOCLV-IBGZPJMESA-N 446.039 4.604 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)[C@@H]1C 1301246431 UMRYOHQYYBGWRQ-HOTGVXAUSA-N 437.009 4.530 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1301333841 CCVGECVOKUCSRJ-BGYRXZFFSA-N 425.621 4.544 30 10 IJEE CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC(C)(C)COC 1305554852 HONRHMHSEUKUGC-DENIHFKCSA-N 439.604 4.694 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1307494437 HOEBURSGHIXVTG-UXHICEINSA-N 428.577 4.649 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@H](c3cccs3)C3(CO)CCC3)c2C#N)C1 1307843760 HKUNXJLSPHJFFS-YCRPNKLZSA-N 443.638 4.628 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1OC 1308566929 YCFUMLYJRWDOEQ-IBGZPJMESA-N 435.351 4.804 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1310000963 LJFLWPKCWROTSG-ZLGIVVLRSA-N 433.618 4.656 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(I)cc1Cl 1310026541 XLDATPCKLGLULE-UHFFFAOYSA-N 444.631 4.740 30 10 IJEE C=CCN(C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1)[C@@H](C)COC 1310731453 BGRHGVYIGPJTJX-ZDUSSCGKSA-N 438.391 4.860 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1)c1ccc(F)cc1 1312935062 WELFQACPVQTTHU-OALUTQOASA-N 433.346 4.839 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 1351079432 GTYLHVWBYZONCY-UHFFFAOYSA-N 443.471 4.553 30 10 IJEE Cc1cc(Br)ccc1CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1357551729 FLHFGDQESDANKC-UHFFFAOYSA-N 429.705 4.650 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccc(C)o1 1359104085 XSGQEJTUJJGFQD-DHLKQENFSA-N 434.584 4.972 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCO[C@@H](C)C1 1359109879 SHHXWPPMFWGBFV-RBUKOAKNSA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccsc1 1359128513 WHTRDGRNCAZOGY-HXUWFJFHSA-N 439.541 4.849 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](OC)C(C)(C)C1 1359199154 MSYAEDWQEUUCRX-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)CN1CCCC1 1359243882 HWALUIBGRSCFDT-HXUWFJFHSA-N 425.621 4.509 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cn3ccccc3n2)n1C/C=C/CC 1359257008 XEHNQZUCJYKDFA-FNORWQNLSA-N 437.551 4.547 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(C)C)CC1 1359257167 BKMKXRQEPBHZMF-UHFFFAOYSA-N 430.556 4.554 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1Cc1cc(C)on1 1359264662 LOYJKKNJXQSIMJ-UHFFFAOYSA-N 435.553 4.764 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1sc(C)nc1C 1359278696 CZOIQICPWRKCJP-UHFFFAOYSA-N 448.596 4.562 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)S[C@H](C)C1 1359338265 QEOBDWQVTSNODI-IAGOWNOFSA-N 440.642 4.585 30 10 IJEE N#Cc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1Cl 1434960457 APJRFUUVGXVJDM-JOCHJYFZSA-N 433.870 4.951 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(OC3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1434986834 DCLKFJMHKBLNSR-AREMUKBSSA-N 440.584 4.807 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1OC 1448508427 VQFIUHPCCOKDKI-QNOJTCODSA-N 435.568 4.718 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1457681134 AFBXOWZEKNXRKC-UHFFFAOYSA-N 425.337 4.608 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Br)c1I 1461530502 IXIZZLPKARMGPV-RISCZKNCSA-N 448.142 4.918 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnc(Br)c3ccccc23)c(OC)c1 1461866339 IDZAXMSPANDOBI-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 1463062894 GCGZNRMWDUEUAZ-HXUWFJFHSA-N 444.354 4.718 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1465781043 FHEYASCSRZXKNK-VLIAUNLRSA-N 436.405 4.850 30 10 IJEE C#CCN(C(=O)Nc1csc(-c2ccccc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1467006144 HWTHVXLUQWKBRZ-UHFFFAOYSA-N 440.569 4.677 30 10 IJEE C#CCN(C(=O)Nc1cccc2c1OC(C)(C)C=C2)C1CCN(C(=O)OC(C)(C)C)CC1 1467098333 AVKYXSLLPZQEDD-UHFFFAOYSA-N 439.556 4.737 30 10 IJEE CCC[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1469272972 AKRIWPNZSLLAGS-CEYNDMKZSA-N 445.563 4.844 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc21 1472164051 WLHFEQGCNONAQR-UHFFFAOYSA-N 432.524 4.701 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)c3cc(-c4ccccc4)cc(Cl)c3O)[nH]2)c1 1472529499 DTURJVOIUFBKAE-UHFFFAOYSA-N 428.879 4.904 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1Cl 1477073399 LUEOWVALNAHLFD-UHFFFAOYSA-N 447.963 4.811 30 10 IJEE C=CCCC1(CNC(=O)N2CCC3(CC2)CO[C@@H](CNC(=O)OC(C)(C)C)C3)CCCC1 1478968052 QQOSKMMQVSYRHU-HXUWFJFHSA-N 449.636 4.618 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@@H](C)C#N)s1 1492631234 HUZLIHPBCWCEDZ-HOTGVXAUSA-N 447.568 4.765 30 10 IJEE CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CCC(C)C 1500512666 DFDIIVMYNCCRBP-IBGZPJMESA-N 432.613 4.916 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCOCC1 1507517443 QLOBLAMYCBCRFO-MOPGFXCFSA-N 445.007 4.963 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC(C)(C)C1 1507572887 ADABGPSQOHMVDD-GOSISDBHSA-N 430.980 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1CC(F)(F)F 1507764126 KKDBTHREUYFSOJ-MRXNPFEDSA-N 447.686 4.915 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1 1507779282 MWOSRVMBQUSJEB-DENIHFKCSA-N 445.405 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)c1ccco1 1507803210 FMNABCNCQSHIJS-QQMNAOGKSA-N 442.510 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C(C)(C)C)C1 1507804707 MFQBVCBBFVIWKC-VIZSFHNOSA-N 426.580 4.862 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccoc1 1507810555 XHBCGKIEOMIGQZ-XUZZJYLKSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1nnc(C(C)(C)C)s1 1507818687 XJJVSSCLHTZUJL-UHFFFAOYSA-N 428.581 4.608 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCN2CCC)CC1 1507880093 ZXDQXTAWFARNPM-IBGZPJMESA-N 429.996 4.638 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1507881736 XVEFEBSBXAQLHJ-UHFFFAOYSA-N 429.565 4.650 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1507894491 DLIHXTSXOHTQFA-SJORKVTESA-N 448.493 4.621 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCOC2)CC1 1507908825 HJRRWCGMJXZGPR-NRFANRHFSA-N 438.616 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCc1nc(C)cs1 1507972136 ZBEGYNQFCMMTQA-UHFFFAOYSA-N 433.585 4.745 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@H]1C(C)C)C1CC1 1507990817 OICVVPIJHBMPRQ-KKSFZXQISA-N 430.980 4.823 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1c(C)noc1C 1508001039 JSZNZZJNMXIWRU-GOSISDBHSA-N 430.556 4.885 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC(Cl)=C(Cl)C1 1508103359 BZJPZLMOFWNBAO-UHFFFAOYSA-N 444.366 4.796 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2Nc2cnn([C@H]3CC3(F)F)c2)cc1 1508104047 JCDLSGXPGVSMTG-IBGZPJMESA-N 428.487 4.610 30 10 IJEE CC1(C)CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1510303913 HCWIWUSTPXIVSY-AVRDEDQJSA-N 447.505 4.537 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccn(CC)c1C)c1ccc2c(c1)OCCO2 1522213357 YIECUDRRSOMVOF-UHFFFAOYSA-N 432.520 4.999 30 10 IJEE C=CCC[C@H](C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccccc1 1523502874 XHWHYLGRMDFLCD-QHCPKHFHSA-N 438.593 4.500 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)s1 1528867110 DBWXYHMGKAARNC-MRXNPFEDSA-N 436.046 4.572 30 10 IJEE C#CC[C@]1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CCCN1C(=O)OC(C)(C)C 1531611721 FXBSWBVMPPKEDQ-AREMUKBSSA-N 435.568 4.503 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 1534410813 MTJQUWUBBZJLQF-UHFFFAOYSA-N 441.453 4.875 30 10 IJEE C#CCN(C(=O)c1ccc(F)c(I)c1)[C@H]1CCCc2ccccc21 1536279920 SFFASDGJHAZFNV-IBGZPJMESA-N 433.264 4.583 30 10 IJEE Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)n1C 1538490173 GWMAHUUVWYVWSN-CQSZACIVSA-N 437.341 4.847 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12 1538553342 UMLZAMQSLXUKOC-UHFFFAOYSA-N 449.457 4.783 30 10 IJEE C=CCN(C(=O)c1ccc(Br)c(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618712 OESPCVHQBFMTBN-FQEVSTJZSA-N 430.342 4.560 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1539504525 JADAJONOLQBDHT-RTWAWAEBSA-N 426.630 4.514 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1539526989 YKMZDSCCLBJNAN-SFTDATJTSA-N 438.641 4.748 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1539581059 WBILVIKYAFQGBG-MORSLUCNSA-N 446.349 4.777 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(c3cccc(OC)c3)CC2)nnc1C(C)(C)C 1539640780 JOAYVOKOJOBIQQ-FYYLOGMGSA-N 438.616 4.949 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539742533 FEPXTASZUAWPRK-HDICACEKSA-N 443.542 4.757 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C)CCOCC2)CC1 1539882101 FLRASFYIDISVAD-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1539953973 QUMRGOUMWFXWTB-UHFFFAOYSA-N 431.462 4.521 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cc3ccc(Br)cc3nc2Cl)cc1C#N 1540024688 QOQHDPHXDOVOFW-UHFFFAOYSA-N 449.717 4.597 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1cccs1 1540127193 CFYZYXIBNRZBPU-OAQYLSRUSA-N 447.608 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1CCc1ccc(OC(F)(F)F)cc1 1540161349 ILWOMLVYELCENK-UHFFFAOYSA-N 429.446 4.660 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1540917139 ONVIJAXTBODSKB-QFIPXVFZSA-N 449.064 4.999 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)cc1 1543419040 WMQKXYZRCGSDMM-OAQYLSRUSA-N 434.492 4.519 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)cc1OC 1545441487 PGCSNNSLHNJIIE-ZUURVNMSSA-N 426.601 4.776 30 10 IJEE C=CC1(CC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CN(C(=O)OC(C)(C)C)C1 1546179347 IFZQRVFOHVDAPU-UHFFFAOYSA-N 434.496 4.642 30 10 IJEE C=C[C@H](CC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccccc1 1556356811 JQDOQSGCVFOOFY-FZKQIMNGSA-N 442.275 4.977 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C 1557510576 NXQJZTALSZZEPZ-WOJBJXKFSA-N 434.552 4.754 30 10 IJEE C=CCC[C@H](C(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)OC(C)(C)C)C2)c1ccccc1 1558622488 BSICGKSHGNWORI-YADHBBJMSA-N 442.600 4.659 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)c(F)cc2F)nc2sc3c(c2c1=O)CCC3 1559328817 ODSFYXVHNPESIL-UHFFFAOYSA-N 432.517 4.694 30 10 IJEE N#Cc1cccc(NC(=O)CN2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)c1 1559621764 HSJUABRYQRSGMA-UHFFFAOYSA-N 443.482 4.733 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 1561065882 AXPLGTBLXKZQOU-UHFFFAOYSA-N 445.953 4.982 30 10 IJEE Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2c(F)cc(C#N)cc2F)s1 1561084802 DZCXITHDPGMGIC-UHFFFAOYSA-N 432.517 4.640 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cc(Cl)cc(Br)c1 1561558334 WQWVKQLRLSBZDA-UHFFFAOYSA-N 446.798 4.647 30 10 IJEE C#CC1(NS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)CCCC1 1561866898 XMBLFVXDMMTGSR-UHFFFAOYSA-N 438.318 4.605 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)C1 1570661980 NRCZVQZUMDZPQK-OAQYLSRUSA-N 438.593 4.706 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1587872553 MCQKESTZTIBMCM-AZGAKELHSA-N 447.671 4.958 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 1587980028 VIQFDIMUURTZMF-SCLBCKFNSA-N 425.356 4.746 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CCC1 1588161941 CVVXEXRNZYOWEE-UHFFFAOYSA-N 449.407 4.522 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1588459213 ONRQEGMMOLMAHY-WNRNVDISSA-N 426.527 4.950 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN(C)C(C)C 1589185980 NOHKHGSGSYADHF-AREMUKBSSA-N 437.632 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCSC 1589527958 BWHFSSLZRKTNQD-UWJYYQICSA-N 425.602 4.597 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(OCc2ccccc2)CC1 1589544588 IWVCVOGDNIZJSU-DHLKQENFSA-N 438.616 4.643 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)N(CC)CC)CC1 1594202240 IKLWHSLTWWZVQZ-KRWDZBQOSA-N 433.547 4.679 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1594581764 AWUZYFVYAXNWBH-FQEVSTJZSA-N 435.572 4.927 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1594600406 UITMQIAZSJLMIJ-HXUWFJFHSA-N 429.927 5.000 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCCS2)C1 1595744552 MPIWBOYDQQGPPA-FCHUYYIVSA-N 442.629 4.541 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@@H]1C 1596789089 FMLVWDOOINWGKT-QLFBSQMISA-N 434.357 4.879 30 10 IJEE C[C@@H]1C[C@@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1612705649 CNPZWKOFDJFLDT-RISCZKNCSA-N 429.368 4.719 30 10 IJEE C=CCN1[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@]2(C)C(=O)CCCC[C@@H]12 1615772686 RRHXVEFCENAIFY-IFOBJOEFSA-N 426.601 4.901 30 10 IJEE O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc(C(F)(F)F)cnc1O 1618380567 YYFAWGORVLESOP-UHFFFAOYSA-N 430.251 4.721 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCN(Cc3ccccc3)CC2)s1 1628990990 AMDSFSJVBKVQRI-UHFFFAOYSA-N 436.046 4.573 30 10 IJEE C=CCC[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 1631194151 CLGHHNGUJFOGOJ-GOSISDBHSA-N 444.457 4.525 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C 1632409907 YQOZVEUGHGBUKU-VXKWHMMOSA-N 440.588 4.607 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1638664096 AKVLXKYHPXFLAK-UHFFFAOYSA-N 445.544 4.662 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@]3(CO)CC(C)C)c2C#N)C1 1642956051 GHEIMUQMSPKBOB-AVRWGWEMSA-N 445.673 4.972 30 10 IJEE C=CC[C@H]1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)C1 1647863644 LORDBPGHRJAMQI-KSFYIVLOSA-N 442.485 4.685 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2O)nnc1-c1ccc(Cl)cc1 1648549092 MHOCUBHOBAHNAH-UHFFFAOYSA-N 428.945 4.838 30 10 IJEE CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)c1ncc(C#N)cc1Cl 1650975117 BPDZUMRYVDYTGK-OAHLLOKOSA-N 436.737 4.563 30 10 IJEE Cc1ccc([C@H]2CCC[C@H]2N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 1654328560 HOBFTAFXSQCXNN-UYAOXDASSA-N 433.371 4.586 30 10 IJEE C=CCOc1ccc(Br)cc1NC[C@H](CC(F)F)NC(=O)OC(C)(C)C 1657514284 XFRMUDBIZKDBSE-ZDUSSCGKSA-N 435.309 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Br)cc(F)c(F)c1N1CCCCC1 1659628810 MNXMZNWAOKEAOD-XOBRGWDASA-N 429.349 4.788 30 10 IJEE CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)oc12 1661140907 BAXHKQFETMZSHT-GFCCVEGCSA-N 438.427 4.761 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1C)c1ccc(C(F)(F)F)cc1 1662378727 MHRJRCDEHYVRHR-SFHVURJKSA-N 441.471 4.786 30 10 IJEE CSCc1cc(F)ccc1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1668245671 AUXGTLFUBCYVCP-UHFFFAOYSA-N 429.908 4.721 30 10 IJEE C[C@@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccc(OC(F)(F)F)c1 1671316521 GXAUMTLYYPXIAG-SECBINFHSA-N 447.328 4.662 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](CC1CCCC1)C(=O)OC 1672214478 PNYQUYDYHJUTKS-OAHLLOKOSA-N 439.350 4.505 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3nc(SCCCCC)sc3c2)C1=O 1674873981 QNACZHRLKCUTOP-QGZVFWFLSA-N 432.615 4.829 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1)c1ccccc1 1681945909 RXYZGIGSQMEJNS-TZIWHRDSSA-N 425.504 4.724 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 1682684545 UHHXRNRHDCTDHL-ALUDDVPBSA-N 447.988 4.810 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(Br)ccc1F)c1ccc(Br)cc1 1682812276 UVXHDQHYSQXBKX-MRXNPFEDSA-N 440.110 4.524 30 10 IJEE C#CCN(C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1683097209 ZHJGTHFDTJHYMN-KCZVDYSFSA-N 425.573 4.545 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@H]3Cc3ccccc3Cl)CC2)c1 1683532682 DALSPYXQZPBBDA-QHCPKHFHSA-N 436.987 4.593 30 10 IJEE C#CCN(C(=O)N[C@H]1CCSC(C)(C)C1)[C@H]1CCOc2ccc(Br)cc21 1685496559 IWNJZWVOUNKXRJ-RDJZCZTQSA-N 437.403 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](F)c1ccc(Br)cc1 1689856469 QYIQULLUXJAXGE-KBXCAEBGSA-N 447.377 4.862 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1689931616 CYXHCMQGHXEKQT-UHFFFAOYSA-N 431.625 4.506 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cnn(CC)c1 1690035061 ZZWPDJHBFCEVKM-UHFFFAOYSA-N 448.983 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(C)C)cc1 1690198215 HHGCXSJAWJFING-XMMPIXPASA-N 435.959 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccnc(SC)c1 1690257321 FJTAZDKIFRTKQP-UHFFFAOYSA-N 445.596 4.903 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(C)(F)F 1690262816 PDDKWPXPRZGKTE-UHFFFAOYSA-N 444.530 4.684 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1690285930 QSMSVEKJJHAULO-LEWJYISDSA-N 430.980 4.699 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1690515047 DCIWPGFURGWLLY-PZJWPPBQSA-N 441.620 4.945 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CC(=C)c1ccccc1 1690585188 GKAJLDHZYCWZDV-UHFFFAOYSA-N 438.373 4.938 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)OCCc2sccc21 1690588038 GOJCAKHWMNMLLT-QFIPXVFZSA-N 441.988 4.722 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)[C@H]3C[C@@H](OCC)C3(C)C)nnc2C(C)(C)C)cc1 1690681204 JKBHJOQEPRPYOQ-LEWJYISDSA-N 426.605 4.829 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1(OC)CCC(C)CC1 1705505084 HATDTECCPQUSRU-IQJRZOLZSA-N 442.629 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCN(C(C)C)C(C)C 1705669100 CDPLFJQJMYROSN-XMMPIXPASA-N 445.558 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccccn1 1705697490 VMINCLJMPLJEHH-KKSFZXQISA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705713277 ZCZUZYMLSJQSIX-MRXNPFEDSA-N 441.929 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1705715520 IJLNCSMSYDKVQL-UHFFFAOYSA-N 434.487 4.717 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2c(C)noc2C)CC1 1705765595 UGKJLACKPWBFGF-UHFFFAOYSA-N 446.324 4.656 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(N(C)C)CCC2)CC1 1705776737 ODAYZAPGSHUVGK-OAQYLSRUSA-N 437.632 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(C)C 1705792678 YDKABJBOFLSMIM-UHFFFAOYSA-N 425.625 4.537 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CCOCC2)C1 1705801112 TYODNGRDOUCUDF-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCO[C@H]1CCOC1 1705837722 MDQCRTJKJVTWCU-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H](C)c1ncc(C)s1 1705838626 VUQFBDHKOPECAU-MRXNPFEDSA-N 441.601 4.932 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccc(F)cc1C 1705866040 FUMFACYYBOVYSG-UHFFFAOYSA-N 434.544 4.679 30 10 IJEE CC(C)CC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)CC1 1706370288 CCAHWXDGMPPNRL-MRXNPFEDSA-N 434.371 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)c1ccccn1 1722283048 TZAZAIIYUYBAKZ-AWEZNQCLSA-N 444.402 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCO[C@@H]1CCCC[C@H]1C 1722293468 RSPYPEGIRTWTSY-XQBPLPMBSA-N 433.556 4.653 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 1722309140 VUXVGKWBPVOAOW-GHTZIAJQSA-N 430.593 4.939 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)[C@@H]1C 1722325562 AJUZYIQJJQAZEY-UONOGXRCSA-N 437.382 4.590 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC1CCCC1 1722486939 HCAISLJLMGTECG-UHFFFAOYSA-N 428.378 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(OC)ccc1OC 1722517051 LBQWAEJJPSXUEC-IFMALSPDSA-N 442.604 4.665 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCS[C@@H](CC)C1 1722548642 NUMQCJGVMNZSJB-ZDUSSCGKSA-N 427.799 4.792 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSC(C)(C)C1 1722585344 XIIUQENIWDEAOH-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722587366 LQKOPKKVZSFFFC-SFHVURJKSA-N 444.023 4.943 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1c1nncn1C 1722601584 IQPIRAGYPLEXAY-SFHVURJKSA-N 429.931 4.564 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1Cc1cnn2ccccc12 1722652248 AEKWXQCRTMMJLW-LJQANCHMSA-N 430.556 4.689 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)c1ccccn1 1722678559 BQOSXPFVKGMHRZ-UHFFFAOYSA-N 425.964 4.610 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)C[C@@H](C)c1nccs1 1722707323 MLQBGCJDUNUCNL-GOSISDBHSA-N 448.596 4.593 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCC2(F)F)C1 1722720990 QYPMRIQXXBBBRP-FPOVZHCZSA-N 446.542 4.506 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1722732322 JXTHUNSKARTZDZ-MRXNPFEDSA-N 435.663 4.653 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1740541522 AVDLJMJOWWMWTG-MJGOQNOKSA-N 442.629 4.731 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@H](SCC)C1 1740586950 SWKUZJCPSRMFMI-FQEVSTJZSA-N 442.629 4.878 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740673688 CNASTKBAYOEXGF-QPPBQGQZSA-N 433.600 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740757675 QXBUGKKZNHWQDE-IIMDRIAPSA-N 446.542 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)CC)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1740767501 VNVXRKKDIZHZSB-FYYLOGMGSA-N 425.621 4.576 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)COc2ccccc2OC)CC1 1740822316 OARYZDPNBYULAL-IBGZPJMESA-N 433.556 4.529 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740860321 ZUWDADCFMYOOMJ-UHFFFAOYSA-N 436.991 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)c1ccccn1 1740924800 ADVJUXMKDHWPCI-UHFFFAOYSA-N 444.583 4.698 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCC[C@@H]1C 1742046500 BFURLMOYYNMNEZ-ROUUACIJSA-N 449.628 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCC(F)(F)C1 1748687069 BEECCVUTDGEETC-OALUTQOASA-N 446.542 4.929 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC1CCC(OC)CC1 1748779269 DDCJUPBXGWXVSC-UHFFFAOYSA-N 449.368 4.511 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1749027246 XTFNKRZAUHWURD-RBUKOAKNSA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCCOCCC(C)C 1749072854 ZLSFHVAEJBLWCU-AREMUKBSSA-N 433.600 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)OC 1749119629 VBMKTOHXDIFGCT-AOIWGVFYSA-N 434.968 4.667 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1749158087 HKFNRQFXQIMXES-VQTJNVASSA-N 447.505 4.801 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn2ccccc12 1749384230 WGGBVGIDRAAJHG-UHFFFAOYSA-N 425.540 4.695 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1749445448 ONWLWUINQXHAPB-SJORKVTESA-N 448.409 4.645 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1cc(C(C)(C)C)no1 1749466383 QKAARCHRFYLGHL-KRWDZBQOSA-N 439.560 4.773 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C2(CCC2)C1 1749627751 XVDSNZBKOSFSLS-OALUTQOASA-N 429.609 4.595 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)CCCC1 1751276395 CRAFRMDBLIXZKW-MSOLQXFVSA-N 445.011 4.684 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCC1 1751379643 FNERORKGGVLCMB-RBUKOAKNSA-N 445.011 4.523 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C(C)C)N1CCCC1 1760098661 VVHSTZVWQJVZHI-CNNODRBYSA-N 444.023 4.650 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1760131826 BCVDBLYPDPMFET-UHFFFAOYSA-N 433.556 4.650 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760142897 QBFGCOIDRDPWCA-HBMCJLEFSA-N 441.620 4.621 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(-c2ccsc2)nc1 1760196308 RSXQZHYRRPEXEL-UHFFFAOYSA-N 443.963 4.843 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](c1ccsc1)N(C)C 1760211330 FUHRDRGNKFQGND-DNQXCXABSA-N 445.636 4.647 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1760275546 ZSZKJRBAEMAEQG-KURKYZTESA-N 433.021 4.920 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCCCCC1 1760360069 POSBROHBEDIPOF-UHFFFAOYSA-N 449.393 4.593 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1760364043 DFMNYWNXFIBNOS-HXUWFJFHSA-N 437.613 4.600 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760366856 KKRPIBAGJNBKAF-RTWAWAEBSA-N 444.023 4.705 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1760379400 RWMKIJLNWKNVJT-UHFFFAOYSA-N 426.948 4.834 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(O)(CC)CC)CC1 1760382576 UEZPRJRIEPBBHG-IBGZPJMESA-N 428.577 4.524 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccc(C)nc2)CC1 1760399145 ATFMPZNSKRWYPZ-UHFFFAOYSA-N 433.556 4.507 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1760413397 HLWDPOARESDZTP-UHFFFAOYSA-N 448.590 4.634 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1760415539 BXADQCIJQTWJLL-RUZDIDTESA-N 442.604 4.863 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(=C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1760420185 KQLBZUAQMJEWSQ-OZXSUGGESA-N 436.600 4.835 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1760426207 IVORCHCETDUSOR-GGAORHGYSA-N 434.588 4.639 30 10 IJEE C=CCCCn1c(N2CCSC3(CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760444837 RVDHGUUBLBVYOK-QHCPKHFHSA-N 434.650 4.541 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCc1ccncc1)C1CC1 1760472161 XXYRVJNFLVQYOO-UHFFFAOYSA-N 442.336 4.639 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nnc(C)s1 1760491365 DOGGPDJYDVJDPE-UHFFFAOYSA-N 435.384 4.833 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1760492114 GWPJZIFMLOIQLY-FDFHNCONSA-N 449.599 4.627 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760562442 JUDPZELFDPJJDI-UHFFFAOYSA-N 434.613 4.649 30 10 IJEE CCC1(Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1762545976 GHUCXISNUZFTCI-XMMPIXPASA-N 437.588 4.966 30 10 IJEE COc1cc(/C=C2/SC(=NN=Cc3ccccc3C)N(Cc3ccco3)C2=O)ccc1O 1772756889 GBIWMSSXTFTBTP-KWLSPSLTSA-N 447.516 4.809 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Br)c3)CC2)cc1 1857957254 MQYADYVHCQZJRK-NRFANRHFSA-N 440.385 4.769 30 10 IJEE N#Cc1cccc(C(=O)OC[C@@H]2CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)c1 1860063287 OOPLKLDGDFACLI-JOCHJYFZSA-N 438.527 4.786 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861191054 HQOXKZXXWSSTBW-VWNXMTODSA-N 447.639 4.799 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 1862416020 JHRYAKUOPAFCCH-KRWDZBQOSA-N 425.353 4.972 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(C(=O)OC)cc1 1862435484 XFBAEECYPARMJE-BFUOFWGJSA-N 427.884 4.503 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)cc1 1862456368 QFDODIZWBOGKDI-NRFANRHFSA-N 447.453 4.806 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccc(O)c(O)c2)ccc1F 1862503043 OIKLHONDRFKFHC-WNSKOXEYSA-N 447.462 4.885 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1CCCc1ccccc1 1862554693 IPGLFRGWWWABKA-XMMPIXPASA-N 426.516 4.788 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 1862558072 SWVCSSAREDAXAY-JOCHJYFZSA-N 432.907 4.743 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2c(Cl)cccc2Cl)cc1OC 1862578711 HCXKNCSHNXMRSK-LJQANCHMSA-N 448.302 4.751 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862602295 YXYUNOOIAWOLAL-QFIPXVFZSA-N 439.508 4.566 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862604448 DOJYJXNPXNRGNQ-WPSZSDGUSA-N 447.531 4.923 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1F 1862639272 UVVAWKQVDMJYGM-NPMXOYFQSA-N 447.462 4.879 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(OC)c2)cc1 1862686788 BIWAQXJWYWQUBU-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CCCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cccs2)C1=O 1863107681 AJBHXNPBLMJUQP-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE COc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866981243 VNIMBZRHRZJTCF-LOSJGSFVSA-N 441.531 4.803 30 10 IJEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3ccc(N4CCC(C)CC4)cc3)o2)cc1 1871281126 DDSMLVOPDMSHIZ-UHFFFAOYSA-N 436.537 4.559 30 10 IJEE CCN(CC)c1ccc(NS(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)c(C)c1 1871285065 HHCRYSGWFQBETF-UHFFFAOYSA-N 444.944 4.822 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)cc1OC 1871367680 XTSKFDMRDRRHMR-HAHDFKILSA-N 445.471 4.562 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871390158 IYQDQCWIWWUNMR-XKZIYDEJSA-N 432.403 4.895 30 10 IJEE CC[C@@H](C)OC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)cc1 1872724378 CVFRKYKLALOFJR-OAHLLOKOSA-N 447.560 4.790 30 10 IJEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 1872767268 VZFAZBXEWKQWJO-HNNXBMFYSA-N 426.885 4.928 30 10 IJEE CC(C)CN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872770957 IVYLYAJXBDZNCU-INIZCTEOSA-N 435.530 4.614 30 10 IJEE O=C1C(O)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1c1ccc(F)cc1F 1872955710 JGMLAVOSZPXMNS-UHFFFAOYSA-N 437.242 4.845 30 10 IJEE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CC(C)C)C2=O)cc1 1873424877 XQGBJJCQSGJNLE-UHFFFAOYSA-N 438.531 4.814 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874252247 HVHCVNBFWNXVRY-PXLXIMEGSA-N 425.514 4.501 30 10 IJEE CC(C)(C)N1C[C@H](c2nnc(SCCc3ccccc3)n2/N=C/c2ccccc2)CC1=O 1874277868 DYNZABHUZNYVKA-AZVXTCMLSA-N 447.608 4.610 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1 1874437158 MYBZVEBPDQIVEP-ZVHZXABRSA-N 425.533 4.619 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1O 1874452551 AYJLFGCRPMEHFO-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(O)c1 1874474831 VHPRBZLSASJPND-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE Cc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1C 1874562155 FXVNRDJWVMAWRP-WGOQTCKBSA-N 442.544 4.876 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)cc1C 1874579060 USWAGAFUHHMEFP-RMKNXTFCSA-N 430.342 4.867 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(OC)c2)cc1C 1874637803 SDPKBTLMSCBGHK-VQHVLOKHSA-N 449.503 4.505 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1F 1874707051 LYFLGWNIFRCBKI-FNORWQNLSA-N 449.272 4.817 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875101681 WLGHAKIWRYWEDG-MDZDMXLPSA-N 437.404 4.710 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1cnccn1 1875122513 CTXJRKWEKCQRDU-FARCUNLSSA-N 429.259 4.907 30 10 IJEE CN(CC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)c1ncccc1C#N 1890505874 VTNQKAROSHKYEU-UHFFFAOYSA-N 438.575 4.850 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCSc3ccc(OC)cc3)ccc21 1891749881 VHZKGTNGGAJOJH-UHFFFAOYSA-N 440.565 4.754 30 10 IJEE C=C([C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC)[Si](C)(C)C 1923016764 USPDVHMOEKPUCW-JOCHJYFZSA-N 433.713 4.815 30 10 IJEE C#CC[C@@H](C[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCC)C1CC1 2020083861 XDQVWJXFKLQBCN-VXNXHJTFSA-N 428.617 4.904 30 10 IJEE O=C(NC1CC1)c1nn(Cc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Cl 2079245670 KUTGASNEGPNBOY-UHFFFAOYSA-N 429.723 4.654 30 10 IJEE Nc1c2c(nc3c(-c4cc(C(F)(F)F)cc(F)n4)c(C(F)(F)F)nn13)CCCCC2 2081308458 ZHMUYFLNISKOTK-UHFFFAOYSA-N 433.331 4.819 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CCCCN1c1cc(Br)cc(F)c1C#N 2118186786 CSZHUVNZDMNMBS-CQSZACIVSA-N 426.330 4.734 30 10 IJEE CN(C[C@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1)C(=O)OC(C)(C)C 2118195961 BEKAULNRVZWNCB-CYBMUJFWSA-N 426.330 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCN(c3cc(Br)cc(F)c3C#N)C[C@@H]2C1 2174812122 HGMNFMDODWUDDH-ZIAGYGMSSA-N 438.341 4.543 30 10 IJEE C#CCC1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)c(C)cc2Br)CC1 2180074502 SBZOVDRIHJAMQX-UHFFFAOYSA-N 435.362 4.980 30 10 IJEE CCCC#C[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2213322267 NEUJGVHZMIQYGC-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE C=C[C@]1(O)CCCN(c2sc(Br)c(Br)c2Br)C1 2216535197 XPQAVNKPWYEMIS-NSHDSACASA-N 446.002 4.553 30 10 IJEE C=CCC1([C@@H](NCCC)c2cc(Br)nn2CC)CN(C(=O)OC(C)(C)C)C1 2232460560 ADCCLNVRXWRSJD-KRWDZBQOSA-N 441.414 4.519 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@@](C)(O)C#Cc2ccccc2Br)cc1 2235715676 JWRQAKFUZHPZKW-QFIPXVFZSA-N 430.342 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)C#Cc3ccccc3Br)CCCC[C@H]12 2235733375 UHTDMRRDVPJOMY-PGRDOPGGSA-N 432.358 4.940 30 10 IJEE C[C@H](N(Cc1ccccc1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2247906232 NCUPXPCHAXYNEM-INIZCTEOSA-N 428.407 4.519 30 10 IJEE CN(Cc1ccccc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1)C(=O)OC(C)(C)C 2255653586 KZHVVQYOOGXSLB-UHFFFAOYSA-N 430.354 4.618 30 10 IJEE C[C@@](C#C[Si](C)(C)C)(OCCCN)c1cc(Br)c(Br)s1 2294592848 XPHOBCJHGNRNRP-AWEZNQCLSA-N 439.289 4.735 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2296298454 KIBVNJKALCUTER-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE COc1cccc([C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)c1 2296597351 NGSKNEKJAZTDRV-HSZRJFAPSA-N 444.487 4.504 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2C1=O 2296871139 UQRNIBJFYSQSTC-UHFFFAOYSA-N 436.485 4.778 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc3c2[C@H](CC(C)C)CC(=O)O3)C1=O 2297639857 MPKONUVXASHGLN-OAHLLOKOSA-N 438.476 4.767 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CCCCC1 2302429477 VGNFFXGINYILTK-ZWKOTPCHSA-N 437.581 4.522 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2313032081 YJZPGACXPLVNEE-ACTFIFLWSA-N 448.568 4.900 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Cl)cc(Br)c1F 2315462695 JDAXGXXUGLLMRQ-ZBFHGGJFSA-N 433.749 4.809 30 10 IJEE C=CCN1C(=O)COc2cc(NC(=O)C=Cc3ccc(OCc4ccccc4)cc3)ccc21 2320465125 MPGYCRHSDPVQCE-UHFFFAOYSA-N 440.499 4.829 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)cc1OC 2322341281 SKRVLUSUAYUNGR-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)cc1 2325731797 TXAILRHFICEWOM-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(O)c(O)c1 2326091407 RBMPEKUPUJGFFK-UHFFFAOYSA-N 446.960 4.739 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2cccc(OC)c2OCC)cc1 2327320680 BVHXHOPQWIKLGP-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccn2)cc1 2329159165 VLEOLZHLOUPKTJ-UHFFFAOYSA-N 433.512 4.608 30 10 IJEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccccn1 2329489320 FKPIVNSPPNERJA-UHFFFAOYSA-N 427.577 4.984 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1 2330651299 GFYCPLALHLTXJH-UHFFFAOYSA-N 427.533 4.867 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2cccc(Cl)c2)nnc1[C@H]1CCCO1 2330994480 GMONEETXAGUXDD-GOSISDBHSA-N 443.916 4.866 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2ccccc2Cl)o1 2331201320 NOSUPDZGOAIABA-UHFFFAOYSA-N 442.884 4.746 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COC)nnc1SCc1cccc(Cl)c1 2331611888 VGVRBCQWMNVQET-UHFFFAOYSA-N 428.945 4.817 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(COC)c1 2362289424 BPMMDFIOBYAMNS-RBUKOAKNSA-N 439.394 4.553 30 10 IJEE C#CCN(C[C@H](NCCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2365242102 VYZAYXROTNXEPA-SFHVURJKSA-N 439.394 4.677 30 10 IJEE C=CCN(CC(=C)Br)[C@@]1(C(=O)O)CCC(F)(F)C[C@@H]1OCc1ccccc1 2374008293 XQJHKHQGYVCXKN-PXNSSMCTSA-N 444.316 4.611 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2nc3ccc(NC(=O)c4ccc(C#N)cc4)cc3s2)cc1 15729291 SBCAPGVJHZDEQF-UHFFFAOYSA-N 448.529 4.530 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1 21077625 IRYFMXMBGRAREB-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE COc1ccc(OC)c([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 28886643 KMZFLTOLXYADAL-CABCVRRESA-N 427.570 4.584 30 10 IJEE CN1/C(=C/C(=O)COC(=O)/C=C\c2ccc(OC(F)F)cc2)C(C)(C)c2ccccc21 33688169 QKJJJJLUPNBVSN-YBVHWPNFSA-N 427.447 4.725 30 10 IJEE Cc1ccc(CN/C(=N/c2cccc(C(=O)O)c2)N2CCN([C@H](C)CC(C)C)CC2)cc1 46021986 ZRRXBEKDHZHYIN-OAQYLSRUSA-N 436.600 4.523 30 10 IJEE Cc1ccc(C(=O)/N=C(/NCc2ccccn2)Nc2ccc(Br)cc2)cc1C 46125375 MBZDCBFNAHYBAC-UHFFFAOYSA-N 437.341 4.859 30 10 IJEE Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59303344 BTLKYPDPZOCMEC-FSJBWODESA-N 426.929 4.766 30 10 IJEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n[nH]1 59892253 GLWMONJCSQUDAP-YZSQISJMSA-N 436.585 4.637 30 10 IJEE CCCSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3cccs3)[C@@H]2c2ccccc2)s1 102588446 VTHDQQFUDHAIOZ-RIBQPWQFSA-N 443.575 4.728 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)cc1 169963391 PAISBDLZVWNBKE-NRFANRHFSA-N 430.847 4.700 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169988233 NGYMCFVYFQGLTH-SFHVURJKSA-N 442.399 4.717 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1cccc(C)c1 170141381 SOPGEBWHPYZJSH-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccccn3)oc12 170169981 FRQQINONHYCFJE-NRFANRHFSA-N 444.418 4.758 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1cccnc1 170195283 JWKQJFWCOKCXSP-QGZVFWFLSA-N 435.307 4.775 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccncc2)cc1C 170200980 KBPWLPIETFNZDZ-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)cc1 170202710 HYBWQVIXSHVPHV-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)cc1 170204509 VSYWCKJXEYCVNC-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)cc1C 170257974 AXLWCFAWOQBEPR-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1sccc1C 170319231 ZGCROCDEHXCYQG-LJQANCHMSA-N 427.522 4.596 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 170468430 IVBSRHVUNOWVKD-NRFANRHFSA-N 435.520 4.896 30 10 IJEE Cc1ccc(Cl)cc1N=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21 254501872 WQOSLCJEEQYVMP-UHFFFAOYSA-N 444.966 4.896 30 10 IJEE CCNc1ccc(C#N)cc1N=C1S/C(=C2/Sc3ccccc3N2C)C(=O)N1CC 263628886 DUTNTMUTBHPOOL-GWRJAORQSA-N 435.578 4.984 30 10 IJEE Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443322056 RBZAQLQZSKEPKS-UHFFFAOYSA-N 439.943 4.612 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 443822370 GZJADFNRQFWXDQ-UHFFFAOYSA-N 438.487 4.819 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Br)c2)n1C[C@H]1CCCO1)C1CC1 460916930 HHDZWNQIYCXIIX-HNAYVOBHSA-N 447.377 4.514 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1scc(-c2ccccc2)c1C(=O)OC 483108634 NCTXZZKFODFZPT-UHFFFAOYSA-N 440.521 4.897 30 10 IJEE C=CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1nc(C(=O)OCC)cs1 501936893 GLRPNGBLNDTBCE-UHFFFAOYSA-N 447.516 4.603 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(c2ccc(Br)cc2)CC1 508854441 CLZVIKPFNQYSBR-UHFFFAOYSA-N 438.373 4.596 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)n1 513098034 ZVSWMTRQQWETNI-UHFFFAOYSA-N 428.471 4.776 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)c(O)c2)cc1 526484929 GHYABCGSOCASLG-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)c1OC 526492201 UFDNAIBEFVCTGT-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 699582261 KXQJCQYIVNODMW-DVECYGJZSA-N 445.560 4.655 30 10 IJEE Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc(C)c1OC(F)F 730855302 GVWFUEIIHLXMAW-GFCCVEGCSA-N 434.464 4.511 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)Oc1ccccc1Br 732900878 XTEHCJLITRWLAQ-WMLDXEAASA-N 443.341 4.689 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1ccc(Br)cc1 749026373 PIOUVEKSODJUHR-IBGZPJMESA-N 427.342 4.854 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(C2CCCCC2)[nH]n1 758772011 QJYREZPSFULZRY-HNNXBMFYSA-N 426.542 4.505 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)=C(/O)c1ccc(C#N)cc1 777513341 UJCKPICUQMCANQ-SZMVWBNQSA-O 440.976 4.503 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 804452711 LSSBNTBOGHMNGR-HSZRJFAPSA-N 448.632 4.840 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C(C)C)c2ccccc21 809892532 AJJRYAWLODXRSP-NRFANRHFSA-N 431.540 4.782 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)c1 1125293949 JUELJDVZPGSBAT-HAHDFKILSA-N 432.882 4.756 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCC[C@H]3c3ccccc3C(F)(F)F)cc2C1=O 1127276295 GUXYYQGHLKYIJU-JXFKEZNVSA-N 442.437 4.554 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)c(OC)c1 1128195829 YEYKKFOALDDDOY-UHFFFAOYSA-N 448.544 4.617 30 10 IJEE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CCC2)cc1 1131371203 CLHCEUCIOWRQCZ-PMACEKPBSA-N 445.563 4.926 30 10 IJEE C=C(Cl)C[C@H](NC(=O)Cc1cccc(OCc2ccccc2Cl)c1)C(=O)OCC 1132193524 ZVYPAIZPRWSEEY-FQEVSTJZSA-N 436.335 4.652 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 1135278935 CPAHTXAVCBGUCO-SFHVURJKSA-N 426.866 4.956 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 1136269405 AEQUDUFVEPFYRF-LJQANCHMSA-N 443.931 4.913 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)CC)CC2 1140345885 MNYBGJLHCIGBHB-WBVHZDCISA-N 433.618 4.929 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](c4ccc(F)c(F)c4)C3(C)C)n[nH]2)c1C 1153714181 ZGUWZLUUQNPAMQ-KRWDZBQOSA-N 439.510 4.763 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)c1ccc(Br)cc1 1159634217 JYMMGQJPJISWDH-QHCPKHFHSA-N 449.348 4.702 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]cc(I)c2c1 1161580345 JSQIUXYXVBGLHV-MRXNPFEDSA-N 430.289 4.690 30 10 IJEE C=CCn1c(SCc2sncc2Br)nc2cc(Cl)ccc2c1=O 1164458664 DSFFJPILGVVACA-UHFFFAOYSA-N 428.764 4.747 30 10 IJEE C=CCC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 1192635423 MPCPKCVKQCURHU-LJQANCHMSA-N 433.430 4.800 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCN(C2CCCCC2)CC1 1219084346 JHAHMKOYQCLYMB-UHFFFAOYSA-N 436.394 4.933 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 1225772899 PKIFCZXPFYJUDF-GOTSBHOMSA-N 427.976 4.720 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(c2ccccc2Br)CC1 1228679180 OUMZUSFKJXXBMB-UHFFFAOYSA-N 429.358 4.887 30 10 IJEE C#C[C@H](NC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1ccc(Cl)cc1 1230488768 CNDDKWKLEARDPE-FQEVSTJZSA-N 435.326 4.898 30 10 IJEE C#CC[C@@H](NC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1230566015 NTPPTFBICFWGBO-PXDATVDWSA-N 425.573 4.574 30 10 IJEE C=C[C@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)c1ccccc1 1264674806 JEERSJNCACCLBR-YXKKDJNZSA-N 439.581 4.578 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1 1273111061 SAQKEQLEWHAXRR-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1 1275431008 BRGDIAWFAFWRQN-RBDMOPTHSA-N 444.909 4.797 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1coc(-c2ccc(C)cc2)n1 1286284228 ZUFNUAFDYYBMAF-QGZVFWFLSA-N 446.942 4.658 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCC=CO1 1286424388 XLUOTRSQIVEFSM-OAQYLSRUSA-N 446.551 4.968 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccco1 1286497416 RWRIJAJIDVJMEF-HKUYNNGSSA-N 440.544 4.858 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1286535756 GDEMIDKVCNWUMM-GOSISDBHSA-N 428.334 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 1286657037 YYAHZOBYNYNIJI-WZONZLPQSA-N 440.588 4.568 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1286684094 FCLJRELBQYRZKN-OAQYLSRUSA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@]2(CC=CCC2)C1 1286704524 WHWZOLNMRVJTIN-HSZRJFAPSA-N 425.602 4.563 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286827099 CTDOSMJVRPOOKC-KUHUBIRLSA-N 436.984 4.661 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1 1286836274 IXEQAWNNKKTQPE-QWFCFKBJSA-N 430.618 4.703 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl 1294212241 ZQBIVAAPDYSADY-CABCVRRESA-N 429.344 4.793 30 10 IJEE COC1(CCn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1299791049 HAVQLXCTXUWAOF-HXUWFJFHSA-N 449.983 4.625 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2ccccc2F)C1 1300900215 AIKWEHYFSJCBKL-JXQFQVJHSA-N 428.552 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCO1 1300905806 WHCPAPRWCNFUSR-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CC1(N(C)C)CCCCC1 1300925436 VRRZWMYKUCZQQU-UHFFFAOYSA-N 429.584 4.663 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC)c2ccccc2)CC1 1301108053 MZKHPIJCAMBGSB-FQEVSTJZSA-N 430.556 4.522 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1301166397 VKSDTAFDRQAMBA-GHTZIAJQSA-N 447.549 4.978 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(c2ccsc2)CC1 1301229205 JVPYWBVUNYESGF-UHFFFAOYSA-N 441.626 4.681 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCSC1)C1CC1 1301320889 QTMSMODZFZPRRO-QGZVFWFLSA-N 428.602 4.649 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1CC1=CCCCC1 1301350366 VYZWGLPHSCQTQR-RUZDIDTESA-N 440.563 4.762 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCO1 1301354460 ATOOZUFVZAVPRP-HXUWFJFHSA-N 441.576 4.535 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccco1)N1CCCCC1 1301380940 PIDBVNFFJNOWKO-JOCHJYFZSA-N 432.572 4.647 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1301420792 KFLIGDXQSOGNNR-GHTZIAJQSA-N 430.568 4.564 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1301612099 VRMTVVHHUWKYNJ-QGZVFWFLSA-N 432.638 4.676 30 10 IJEE Cc1csc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)n1 1304629687 BFBJITISDITWNP-SFHVURJKSA-N 437.331 4.507 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2)c1ccccc1 1304736906 JQSGSBVOLUKYQC-PMERELPUSA-N 440.546 4.935 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 1306409145 HWWCIZFHJRTXEG-GUDVDZBRSA-N 433.478 4.726 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC(C)(C)C)C2CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307238069 STRVYVAYEKURRO-UGSOOPFHSA-N 446.638 4.981 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1cccc(F)c1 1309103681 FNCBTOZFIAPAFH-KRWDZBQOSA-N 443.313 4.665 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C)c1ccc(Br)cc1 1312938151 XKTWSWXKJSRIJP-MOPGFXCFSA-N 449.389 4.809 30 10 IJEE C=CCCn1cc(C(=O)Nc2nc(-c3cc(C)n(CCc4ccccc4)c3C)cs2)nn1 1348809608 DHTOBGYJSFFYMY-UHFFFAOYSA-N 446.580 4.891 30 10 IJEE C#CCN(C(=O)c1ccnn1C(CC)CC)[C@H]1CCOc2ccc(Br)cc21 1353636119 XCHODPGBDLSJRW-SFHVURJKSA-N 430.346 4.606 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 1353819237 UOOWKFQZPRDSLG-UHFFFAOYSA-N 434.492 4.540 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC2(CCOCC2)C1 1358908614 DISOUURUBDGYAM-UHFFFAOYSA-N 443.389 4.518 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1359066622 HTSLHBQYBKEYBO-VHFRWLAGSA-N 433.644 4.868 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(OC)c1 1359100058 WJEZJSZKQMKLBB-CVDCTZTESA-N 442.604 4.502 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359142374 GLNGGQXIXARKBR-BBWFWOEESA-N 437.371 4.687 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2CCN(CC)CC2)CC1 1359158701 BXOCYLRSGMRUBI-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(OC)nc2)CC1 1359159785 FIXSURUZBKGWRQ-FQEVSTJZSA-N 433.556 4.643 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCOC2)CC1 1359162015 ZVKCRHOLLIGCKO-KRWDZBQOSA-N 431.378 4.599 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1359178494 SVZMFNKMRRIJDJ-UYAOXDASSA-N 447.624 4.568 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCC(C(F)(F)F)CC1 1359196658 ONFOITFVXACXER-ABHNRTSZSA-N 441.542 4.781 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359210627 AXRSCIVKJKTNEB-UHFFFAOYSA-N 435.616 4.703 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@@H](C)C1 1359255205 RORYTZDKOMEBTA-IRLDBZIGSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC1CC(C)(C)C1 1359257279 FZOWVDQCUJRSNE-UHFFFAOYSA-N 443.599 4.640 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCC(=O)NC(C)(C)C 1359260497 GMDNVHZYIMIINJ-UHFFFAOYSA-N 429.584 4.503 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1359316211 KIIXIGKZIZJCHE-SVFBPWRDSA-N 442.604 4.858 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1360544362 HQKKKMZEJYDSOA-JKSUJKDBSA-N 446.983 4.592 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(C)cc(I)c2)cc1 1435973108 ADBGETGTTQDJQK-UHFFFAOYSA-N 449.288 4.861 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](COc3ccccc3)c3ccccc3)n[nH]2)c1C 1443684275 BALGHDJGFLIPKS-DEOSSOPVSA-N 441.535 4.626 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2N[C@@H](C)c2ccccc2)c1 1449412819 SKMJIDXLKINTGW-IBGZPJMESA-N 432.545 4.909 30 10 IJEE COc1ccc(C[C@H](C)CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OC 1458529781 FHGUJCVKHMLEQJ-IBGZPJMESA-N 444.531 4.763 30 10 IJEE C#CCN(Cc1cc(C(=O)OC)sc1C)[C@@H]1CCOc2ccc(Br)cc21 1459518560 VSWKFHCOIVFPRJ-QGZVFWFLSA-N 434.355 4.565 30 10 IJEE O=C(c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)N1CCC(F)CC1 1462459808 FJNIOIACZBCNRD-UHFFFAOYSA-N 449.370 4.973 30 10 IJEE C=CCN(C(=O)Cc1scnc1-c1ccccc1)[C@@H](Cc1ccccc1)C(=O)OCC 1466892949 HHVDDMMXXGICNY-NRFANRHFSA-N 434.561 4.542 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(Br)ccc1C1=NCCO1 1467278275 BFKVIPBUCDFWAM-UHFFFAOYSA-N 428.330 4.836 30 10 IJEE C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1 1470662810 KNHXZQRJDBKODS-IBGZPJMESA-N 431.964 4.589 30 10 IJEE C=CCSc1ccccc1C(=O)N1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1472132585 ZTIKKYFINIDNBQ-GOSISDBHSA-N 446.613 4.595 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCc1cc(Br)cnc1OC 1472975480 HAYHNJHXOYTBJE-UHFFFAOYSA-N 431.359 4.513 30 10 IJEE CCc1ccc(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)cc1Cl 1473467110 AFIMCXRXENEGLE-HXUWFJFHSA-N 439.003 4.668 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 1476729413 UNEAJLDYLSXXSA-WBVHZDCISA-N 435.318 4.727 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1507522103 AXCADOZQQNSAPA-JXFKEZNVSA-N 444.526 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C(C)C)C(C)C 1507524822 XKKDWSISNDGYQA-OALUTQOASA-N 427.662 4.708 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(OC(C)C)CC1 1507555618 UIURHRFEIHELRZ-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1507573380 GNHIJNSZDVCTGW-KRWDZBQOSA-N 430.980 4.879 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc([C@H](C)O)cc1 1507682353 MINXNXJZEPNLKW-SFHVURJKSA-N 434.609 4.837 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](CC)C1 1507746849 UUTUTUUBAFSESS-HNNXBMFYSA-N 447.029 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)OCCc2sccc21 1507815915 IQKRSKNPGJOYSB-XMMPIXPASA-N 433.581 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC1CCN(Cc2ccccc2)CC1 1507817066 NBQOANGJDFUCDH-UHFFFAOYSA-N 430.600 4.655 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(CC)s1 1507986347 MXIRTNJLBURWBI-SFHVURJKSA-N 431.606 4.645 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1508050440 FCAFTWLNYDFGGI-HOCLYGCPSA-N 437.357 4.674 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC=C(C)C)C1 1508118325 RMLGIRXWNQSWAO-IBGZPJMESA-N 431.378 4.845 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(CC(C)C)C1 1513987033 HEODHQFPGABHBP-JCTONOIOSA-N 434.632 4.810 30 10 IJEE COCCN(CCC#N)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1[C@@H]1C[C@@H]1C 1519161017 DOMZNIVWUOWHHS-UCLAIMLFSA-N 431.968 4.636 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)c1ccccc1 1520011825 WCPXRYKJZFYXEP-FQEVSTJZSA-N 434.989 4.854 30 10 IJEE C#CCN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCOc2ccc(Br)cc21 1521819617 SQHZLGFCNWYTRS-LJQANCHMSA-N 441.350 4.664 30 10 IJEE C#Cc1ccc(CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 1522548181 WOLSFCMKPNSMOQ-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE CC[C@@H](C)N(CCc1ccccc1F)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1526150715 CTOHGWMLZFTGQF-APWZRJJASA-N 441.934 4.573 30 10 IJEE Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCCc3nc(C#N)ccc32)cc1 1527154459 DFVPGHLXGLILGA-UHFFFAOYSA-N 442.544 4.586 30 10 IJEE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1531865883 AWIAWJBWQCILOW-OAQYLSRUSA-N 435.524 4.824 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@](C)(CC)C2)c1 1535189352 FIUSFVUDFMWOIE-HSZRJFAPSA-N 447.000 4.984 30 10 IJEE COC[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccc(F)c(F)c1 1535395736 CTVCDOOORWLHJY-OAQYLSRUSA-N 426.394 4.885 30 10 IJEE C=CCSCCNC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1536806772 KYABJIDINQSGOR-MRXNPFEDSA-N 433.401 4.937 30 10 IJEE C#Cc1cccc(N(C)C(=O)C[C@@H](C)CCc2ccc(I)cc2)c1 1537367198 RVLRRBQWAFBZKS-INIZCTEOSA-N 431.317 4.894 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1OC 1537890476 QVGMYLJDJJRZDL-CSKARUKUSA-N 447.362 4.929 30 10 IJEE C#CCC1(NC(=O)c2cc(Br)ccc2I)CCCCC1 1538315748 MQWFBWCGQHQBEF-UHFFFAOYSA-N 446.126 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCSc1nccs1 1538987916 XQDNKCPWXLRWHT-ZDUSSCGKSA-N 435.981 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCCC1(C)C 1539034674 HKQSAHRULSCYOA-KSFYIVLOSA-N 433.021 4.623 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nc(C(C)C)cs1 1539149258 WAKAILQITSLHRT-KRWDZBQOSA-N 439.585 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC(F)(F)C1 1539296096 KZWXBTYFLCKVAG-SFTDATJTSA-N 440.538 4.933 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1csc(-c2ccco2)n1 1539377623 LHJVZOYHDMGDSY-UHFFFAOYSA-N 447.564 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)c1c(C)noc1C 1539566064 DEOMZUMJBVSMNB-NIYFSFCBSA-N 447.583 4.875 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1539630278 DZDAULHCUVETHT-CVDCTZTESA-N 439.560 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccccc1Cl)N(C)C 1539667612 KWJXHKFSDYUNQX-WIYYLYMNSA-N 432.012 4.531 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1Cc1cccs1 1539682263 WOPQFGBORUIWFT-FQEVSTJZSA-N 435.597 4.996 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1539716034 QDRRZICMEKBTMZ-UHFFFAOYSA-N 425.621 4.608 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1539751897 WYGSRRPHUIPQDO-VQTJNVASSA-N 445.633 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCCCCC2)CC1 1539896293 LFAPEWGBZNCBAL-NHCUHLMSSA-N 430.637 4.684 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](OCC)C1 1539909288 JOWQBEXIYPCRPR-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](CC)O[C@H](C)C1)c1ccccc1 1539948612 QPIPWHONDBACHD-BKULYWANSA-N 431.584 4.628 30 10 IJEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2sccc2C1 1540040465 VGARIKJNYCKPKR-UHFFFAOYSA-N 438.597 4.691 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1540112642 YUUXPVLCENJUPD-IBVKSMDESA-N 437.632 4.543 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1540854590 RKGUMWMMMDOHQJ-VQIMIIECSA-N 445.995 4.914 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[C@H]1CC 1540881603 NSNKTHMNNWFPST-LAUBAEHRSA-N 437.613 4.872 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 1543728680 PDGZDSILFCXIMY-UHFFFAOYSA-N 425.410 4.786 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1546688065 FSKBQKKJNPQADE-IBVKSMDESA-N 434.632 4.954 30 10 IJEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC2CCCCCC2)CCO1 1546947865 DMXWCMMYIBBHIF-QHCPKHFHSA-N 437.588 4.561 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H]2CC3(CCC3)Oc3ccc(Br)cc32)s1 1558424146 DNCVXNZPIFSEHH-AWEZNQCLSA-N 434.359 4.680 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 1561186083 PBOVYXAMXVWVQW-UHFFFAOYSA-N 434.819 4.676 30 10 IJEE COC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 1562206174 DEBYYLAZTOBBQZ-HXUWFJFHSA-N 435.524 4.529 30 10 IJEE C=CCOc1ccc(CNC(=O)NC[C@H](C)Sc2ccc(Br)cc2)cc1 1563953384 KTSKMKQQQVSNHG-HNNXBMFYSA-N 435.387 4.994 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 1564684266 FIARCKNHHLYKSS-XLIONFOSSA-N 429.351 4.821 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1OC 1567280348 BQSKUGXKVFNIKE-RMKNXTFCSA-N 436.335 4.601 30 10 IJEE C=CC1(CC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CN(C(=O)OC(C)(C)C)C1 1568864843 KBVFCNLDLUJRDD-NRFANRHFSA-N 434.527 4.888 30 10 IJEE C#C[C@@H](NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1)c1ccc(Br)cc1 1569673965 QOHHSBGYPPSQJG-QGZVFWFLSA-N 446.251 4.545 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1 1584070916 CNCLXIONXQYTPW-FQEVSTJZSA-N 441.457 4.553 30 10 IJEE Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(Br)c1 1586652888 FLTVUFTWFKPJNC-YVWKXTFCSA-N 427.342 4.823 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1587777952 WRTYPZMQHATVGH-UHFFFAOYSA-N 433.625 4.677 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1sc(C)nc1C 1588280535 MISILHINDXDHOY-OAHLLOKOSA-N 439.654 4.907 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1593625437 XQELFLPHVBYCMX-QGZVFWFLSA-N 439.551 4.593 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1593844946 ILEUAUUQBATTDQ-UHFFFAOYSA-N 430.339 4.924 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1594003888 LBVNQPYMUWTGQG-IEBWSBKVSA-N 447.967 4.536 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1594225480 AKAOZFKMCIHVLB-UHFFFAOYSA-N 445.489 4.675 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1594456024 XMOZWQPPQHAVDF-AZUAARDMSA-N 427.637 4.527 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2ccc(O)cc2)nnc1[C@]1(OCC)CCOC1 1594528288 HZEGFNSPUGBFGQ-OFVILXPXSA-N 440.588 4.580 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1594581898 FWROYXMLJGQOGM-KRWDZBQOSA-N 448.970 4.868 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1594627444 VDCUFPSBZUXXBR-RTBURBONSA-N 433.641 4.963 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)COC 1594905985 APSYTROTQFZGEK-UHFFFAOYSA-N 427.774 4.656 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1595034225 YCGUYPBVMWCVBT-GOSISDBHSA-N 439.604 4.918 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1595330669 ZRBMQRJFKQMHJK-AEFFLSMTSA-N 445.995 4.914 30 10 IJEE CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cccnc1Oc1cccc(F)c1 1602713876 DQNOOSMCWDYTKZ-DEOSSOPVSA-N 434.519 4.906 30 10 IJEE C=CCC1(C(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CCC1 1603432728 JAMHIFKLCHRUFG-UQBPGWFLSA-N 426.557 4.752 30 10 IJEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3c(F)cccc3F)C[C@@H]1C)C2=O 1614472975 YFKTYKJHPJIPJJ-MGUXCZDKSA-N 449.837 4.554 30 10 IJEE Cc1ccc(C)c(-c2cc(NC(=O)CN(CCC#N)CC3CC3)n(-c3ccccc3)n2)c1 1615743642 BYMCNRZUTWQVST-UHFFFAOYSA-N 427.552 4.720 30 10 IJEE C=CCCC1(CNC(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)CCCC1 1617475583 VPCJZYGULWJZRT-UHFFFAOYSA-N 432.992 4.844 30 10 IJEE C=CCOc1c(Br)cc(CNC2CCC(C)(N3CCC3)CC2)cc1OCC 1621092355 CCLWXSGUBIXDAK-UHFFFAOYSA-N 437.422 4.909 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1 1621764925 DAQWAFRLXCVKPS-UHFFFAOYSA-N 433.017 4.649 30 10 IJEE Cc1cc(C2(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCCCC2)ccc1Br 1626657802 FFBQRQDMWQDHFM-NRFANRHFSA-N 446.433 4.652 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 1630153266 ARYVGBLUDSRMNP-UHFFFAOYSA-N 446.923 4.655 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](Cc2ccc(Cl)cc2)C2CCCCC2)n1 1630969473 FZCCJEGXMBASJY-HSZRJFAPSA-N 426.992 4.893 30 10 IJEE CC[C@@]1(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)OCCc2ccccc21 1632057967 CTEQBVJEVUGFPE-VWLOTQADSA-N 431.561 4.964 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3nc(-c4ccccc4)cs3)n[nH]2)c1C 1632970800 AFDGQALRLDXBHN-OAHLLOKOSA-N 432.553 4.691 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)C(=O)OCC 1635607102 POJUSJDQSHZRCP-IBGZPJMESA-N 443.956 4.659 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(COc2ccccc2)n1-c1ccccc1 1640966813 DPOJCWAWSCTHRD-LJQANCHMSA-N 436.581 4.752 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)C1 1641029780 LHJQDTAUMGRGBB-KBXCAEBGSA-N 429.413 4.660 30 10 IJEE C=CC[C@H]1CCCN(C(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)C1 1641030516 ZILNYKTYXWEMFD-HNNXBMFYSA-N 431.627 4.714 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1O 1641354126 QORQMGCKXQUZMM-KSFYIVLOSA-N 438.524 4.526 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 1643577024 BWBHBTQAVKWSLN-MRXNPFEDSA-N 434.443 4.551 30 10 IJEE C=CCN(Cc1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@H]1CCS(=O)(=O)C1 1644813477 ODFIAENBGAQYQD-INIZCTEOSA-N 426.365 4.961 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 1645353699 MUZSROXLBYFVHU-XXBNENTESA-N 426.582 4.969 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2 1649428582 WOORHHHJVNMRPE-RUZDIDTESA-N 428.580 4.558 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)C(=O)OC 1652012820 HQQYFIKIKLJCJS-MRXNPFEDSA-N 449.370 4.623 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)C[C@@H](O)c2ccccc2Br)cc1OC 1652671754 PDWZJLANFVKEIR-GOSISDBHSA-N 440.765 4.841 30 10 IJEE CC[C@@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CN3CCOC[C@@H]3C#N)sc2c1 1652713910 FVFCFRVGAVPOKJ-NQIIRXRSSA-N 448.592 4.567 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)C(C)(C)C)nc2cc(-c3ccccc3)sc2c1=O 1656137452 LIOSRCOVYYRQLR-GOSISDBHSA-N 428.579 4.991 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2c(C)sc3c(C)cccc23)cc(OC)c1OC 1661722167 ZHWPGFQWVXXHBM-UHFFFAOYSA-N 431.579 4.742 30 10 IJEE CCN(C)C(=O)[C@@H](NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)C(C)C 1662729333 BWTKWMVBYKGESB-FQEVSTJZSA-N 444.988 4.987 30 10 IJEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1 1674143762 BAXRUAJNLPUMMB-INIZCTEOSA-N 427.863 4.715 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC(COc4ccc(Cl)nc4)CC3)cc2n1 1675017686 HXKHWDUEBJZTNM-UHFFFAOYSA-N 425.920 4.594 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCc2c(Br)cccc21)c1ccc(Br)cc1 1676990545 PAOKNFLQBYOJLF-ROUUACIJSA-N 448.158 4.873 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(Cl)cc1F 1677567474 ROYRDJQMIXRGFU-HXUWFJFHSA-N 435.326 4.854 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 1680893341 TVMWFRGZPFUVKK-NOZRDPDXSA-N 432.564 4.834 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CCc2ccc(O)cc2)CC1)c1ccc(Br)cc1 1682356756 MVGPKXMUCQDEIU-QFIPXVFZSA-N 441.369 4.883 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NC/C=C\c2ccc(Br)cc2)c1 1684601846 AMKCOLLPGHPWNC-GJEJWFRCSA-N 428.330 4.643 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)c1 1684811939 FCNLTQZDZFROEU-UHFFFAOYSA-N 434.540 4.994 30 10 IJEE C=CCCC1(CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CCCC1 1687039630 NQGISPLFJPYONN-KRWDZBQOSA-N 441.385 4.565 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1689878758 UDGZUCPIMLSGNZ-QZTJIDSGSA-N 444.421 4.866 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1OCCC1(C)C 1690036925 GQTMDKUMWZIHJD-QFIPXVFZSA-N 436.625 4.554 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1690165902 MZTQLXSAOARDAQ-OAQYLSRUSA-N 436.581 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1690200219 OWQKELHDMSGPEU-AREMUKBSSA-N 447.583 4.504 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)C(C)C)CC1 1690399135 OJZIZFNOXWKOTK-OAQYLSRUSA-N 433.394 4.517 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690420023 IQDXFHZERLORLT-JTHBVZDNSA-N 437.632 4.775 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690451476 HOOOCGWARCOGDP-TYPHKJRUSA-N 440.544 4.505 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1690705860 FDHSEFHZDYQABN-JBYIUTFZSA-N 445.007 4.507 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]2CCC[C@@H]21 1690737386 KQJPNDMYRNSNGS-PXNSSMCTSA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1690740448 VXFXBOSSXSUSHO-MRXNPFEDSA-N 428.631 4.595 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1Nc1cnn(C)c1 1690750237 DFBZHPSKNKZNDT-UHFFFAOYSA-N 426.590 4.551 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(OC)CCC(C)CC1 1705478677 AQZYEEMFJOCPKC-BNGSBABLSA-N 432.515 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1705485542 KTULKQAJGBUFEP-KHOMTPLRSA-N 440.588 4.547 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CC1CC(F)(F)C1 1705709875 SLLQAAYNIRZOIW-SIKLNZKXSA-N 446.542 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOC)CC1 1705712712 DQSMNYFSKULARE-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1705763631 ZIARRJMCOGICKK-SXWKCWPCSA-N 440.588 4.788 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N(C)C1CCC2(CC1)OCCO2)c1ccccc1 1705796663 IJFLFVPPWLAAGI-JOCHJYFZSA-N 438.616 4.958 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C)C1 1705814665 WMOUOVCJPOSKAE-ZDUSSCGKSA-N 425.758 4.552 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](F)COC)C1CC1 1705850020 DDRMNRMABYXVHT-CYBMUJFWSA-N 443.748 4.500 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1705877090 UYXMEHCVBOCFGE-HXUWFJFHSA-N 440.613 4.600 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC[C@H](C)C1 1706072012 BFWCKHBEYBNFQL-ZWKOTPCHSA-N 429.012 4.705 30 10 IJEE C[C@H]1CCC[C@](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C#N)cc2)(N(C)C)C1 1708026651 BDGBCBWQRYCFMH-FNZWTVRRSA-N 436.648 4.885 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1722325318 HTLYOHIFPHAUJU-YLJYHZDGSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722338129 MCBPOEQEZSFLMZ-VXKWHMMOSA-N 436.600 4.565 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccsc1 1722483788 CVVQNJPAJFFIGX-UHFFFAOYSA-N 439.329 4.754 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1snnc1C 1722500732 DDCNNVSGOYSNJI-UHFFFAOYSA-N 447.406 4.627 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722524802 RQFCPLAKVGFTRB-RDTXWAMCSA-N 425.360 4.601 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1csc([C@H](C)OC)n1)C1CC1 1722645663 VICZHGFIHPQCJJ-AWEZNQCLSA-N 429.977 4.966 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1Cc1csc(C)c1 1722655436 MJRMVZCMHSYHRC-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2sccc2C)C1 1722723561 ZWBLGVFWVYXJPM-FQEVSTJZSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1722741267 GAHMVDZFPLZVLO-OAQYLSRUSA-N 447.048 4.837 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(C)s1)N1CCCC1 1727244232 ACIQMLCIALWJEO-NRFANRHFSA-N 434.613 4.698 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(O)CCCCCC1 1740538386 GKTSJMQVXIRLQF-ROUUACIJSA-N 426.630 4.675 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOc1ccc(C)cc1 1740675536 RKNKBWUUGFRXGT-DHIUTWEWSA-N 438.616 4.824 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)c1ncc(C)s1 1740728214 QXPAWJRHCOXUDF-LHSJRXKWSA-N 426.977 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC1(c2ccc(F)cc2)CCOCC1 1740732083 QXWWTIBMPQAIGJ-RUZDIDTESA-N 438.591 4.746 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1740741221 HGRMJMHPXGVHIN-SJLPKXTDSA-N 426.362 4.575 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1740772291 UHDBWYSRIWTKAS-UHFFFAOYSA-N 429.952 4.785 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2Cc2cccnc2OCCCC)CC1 1740828677 SZRBUYZCSDOJJU-UHFFFAOYSA-N 431.584 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740851537 YXBCCKRRAHTFQY-UHFFFAOYSA-N 445.681 4.600 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740870244 KPJWJAMGPSUNIK-XJKSGUPXSA-N 446.420 4.669 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740880220 XLGBFJISKITJIG-QFIPXVFZSA-N 437.632 4.751 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H]1CSCCS1 1740915116 VDTHIMDFKIMERF-YLJYHZDGSA-N 427.643 4.704 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H](C)C1 1740915386 FCJAWXOOKPCGJU-UNMCSNQZSA-N 447.583 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@@H](C)C1 1740930339 RPTOOOAUTHVLPT-WOJBJXKFSA-N 446.599 4.851 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(CCc1ccc(F)cc1)C1CC1 1740944281 WUDFKUOFMPSNQC-UHFFFAOYSA-N 430.325 4.572 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC(CC)(CC)C1 1740997378 RDHAFEITWUUXSK-UHFFFAOYSA-N 447.630 4.885 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(F)(F)F)n2)C1 1741987361 AJHRYZLJSDDYKK-NRFANRHFSA-N 432.494 4.603 30 10 IJEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N(CCC#N)CC2CC2)CCC(C)CC1 1748495242 DRYXCDFKSCSGHE-UHFFFAOYSA-N 432.572 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1c(C)noc1C 1748660887 YMQHGIGDZQESHC-KBPBESRZSA-N 442.361 4.574 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1748937625 NNPABLASXCGESY-SANMLTNESA-N 438.616 4.555 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Cl)cc1 1749124581 OTZQEERYYGHNDR-SIKLNZKXSA-N 437.975 4.654 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc2[C@H]1C 1749353951 FIRHGXRBUACKBP-GOSISDBHSA-N 430.556 4.651 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1749390813 KSCHPQGOGCUMHT-LJQANCHMSA-N 430.618 4.577 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1749398272 BMKAOCYYLIYMRE-UHFFFAOYSA-N 437.632 4.931 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1cccc(C)c1 1749434372 QBYWZWPVERMRFR-FQEVSTJZSA-N 435.597 4.886 30 10 IJEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(c2nccs2)CC1 1749438407 WOKQLXXLNJNJPH-UHFFFAOYSA-N 439.585 4.672 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1749552462 CJRXVPIZNMQOGI-RZUBCFFCSA-N 443.661 4.752 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CC2(CCOCC2)C1 1749582339 JWSRBJZBHHUVAA-NHCUHLMSSA-N 428.621 4.582 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1749604476 YRKMMBWDFGLLNW-IBGZPJMESA-N 439.947 4.544 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2ccccn2)C1 1749700600 LOTTVHOOXMERIL-QHCPKHFHSA-N 431.584 4.662 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 1749710700 ZXTVOAOEVBVLFO-DNQXCXABSA-N 437.632 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C(F)(F)C12CCC2 1760097347 DAWMQGNTRONZOJ-QRFRQXIXSA-N 428.527 4.928 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1c(CC)noc1C 1760100267 TTYUPIPILKJSPA-KRWDZBQOSA-N 442.567 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1ccsc1)N(C)C 1760100517 BWBKFFRRXCXRNN-MBSDFSHPSA-N 444.608 4.624 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1760108140 VOMITNWTWSTSFK-MZKRTTBSSA-N 433.625 4.856 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760132770 OVJKYNLDYZJVEX-LJQANCHMSA-N 429.471 4.528 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1760247128 PETBDAMZYAGCLC-NVQXNPDNSA-N 438.616 4.676 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CC[C@H](C)C2)CC1 1760258542 NVBLJCJDFHWAOM-GOTSBHOMSA-N 449.643 4.561 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760274126 GLJAYKNGBQXWLZ-MOPGFXCFSA-N 442.604 4.940 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760367813 UQXBIHHHVBKCKF-AOMKIAJQSA-N 436.959 4.951 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760384812 HQJHLXVWBPUQLI-KUHUBIRLSA-N 439.423 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1760408726 FWLLIYZXXYGEBI-QZTJIDSGSA-N 440.588 4.808 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N(C)C1CC1 1760491214 XQHQRWDCPPMSIJ-ZWKOTPCHSA-N 425.646 4.793 30 10 IJEE Cc1ncsc1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)c1nccs1 1761611975 DMBVEWDCSSJFNC-HNNXBMFYSA-N 449.609 4.521 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(C)C)C1)SC 1764021511 GHALWCZWOMPUSK-HXUWFJFHSA-N 427.618 4.600 30 10 IJEE CCOC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1765747208 GFQHIBOWABRAER-HXOBKFHXSA-N 429.540 4.502 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1768359783 FUDAAYDVAVSUDG-OALUTQOASA-N 431.556 4.972 30 10 IJEE COc1ccc([C@H](C)CCn2c(-c3ccccn3)nnc2N2CCC(CC#N)CC2)cc1 1768426367 IBXMLQXTXZOVNE-LJQANCHMSA-N 430.556 4.673 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)c2ccc(Br)cc2)SC1=Nc1ccc(F)cc1 1772723105 HRDARPDOPDKGSF-SFHVURJKSA-N 447.329 4.979 30 10 IJEE CCOc1cc(C=NN=C2S/C(=C/c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 1772758245 QSLKTOWGYLEFAO-HWVQBVCISA-N 447.516 4.891 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccc(C)cc1 1859557843 DYVBMCWBMSEWEJ-UHFFFAOYSA-N 428.492 4.620 30 10 IJEE N#Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1 1860914449 NYCBPHZMQRNJNV-VWLOTQADSA-N 447.498 4.501 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2nc(CC(C)C)[nH]c2c1 1861452599 SIOGKLPRAKLXMP-JOCHJYFZSA-N 426.605 4.843 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1862120672 RRUUZKZALLNHOB-SANMLTNESA-N 438.571 4.747 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(Cl)cc1 1862416489 GXPZAKXSEXUNQO-LJQANCHMSA-N 435.854 4.622 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Br)ccc1F 1862485063 VQSQCLSDKCPPMK-GOSISDBHSA-N 432.289 4.885 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1Cl 1862527404 WZCXMPQWESOWLQ-KRWDZBQOSA-N 432.701 4.867 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862563220 YDJJPWVZVZUABA-IBGZPJMESA-N 449.334 4.579 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)C)cc1 1862608678 SVKVGLCQRKOFHZ-HJPURHCSSA-N 435.520 4.958 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 1862716814 OLXRPCBRYDPXCL-FQEVSTJZSA-N 442.298 4.717 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862744613 QFWYZSGUEMCQLA-KZULUSFZSA-N 448.397 4.990 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1CCc1cccs1 1862746530 GQLGTPOSIJKMTJ-OAQYLSRUSA-N 448.500 4.786 30 10 IJEE CCCOc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)c1 1863102581 KNSMYBQXKCWRLB-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE C=CCNC1=C(c2ccc(Br)cc2)C(=O)N([C@H](C)c2ccc(CC)cc2)C1=O 1863564227 MKQLRUMDPGRLCI-OAHLLOKOSA-N 439.353 4.628 30 10 IJEE CCC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867012162 VKUFNDHDFJNUOT-DNQXCXABSA-N 433.552 4.764 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2cc(Cl)ccc2OC)n(-c2ccc(C)cc2)n1 1870001103 OPQPQYFJHLZUEV-UHFFFAOYSA-N 437.931 4.668 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1C 1870086968 YRMJUOVNSLZZQP-UHFFFAOYSA-N 430.545 4.552 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CSc1ccccc1 1870211050 IJCXAJGXYYQLNE-UHFFFAOYSA-N 434.561 4.961 30 10 IJEE C=CCOc1cn(CCCCCO)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870385607 FOTVYOCPJHCZFG-UHFFFAOYSA-N 446.591 4.778 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC)cn1CCCCCCCCCC 1870448990 SMXREUYCPIKDEM-UHFFFAOYSA-N 432.605 4.715 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)c1 1871424458 KJWKYQIIGAZRHN-XHFXOGKZSA-N 443.499 4.876 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)c1 1871441721 KMWXCTZSZYZSRU-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871513439 LAYMLIPYKXBQRQ-UHFFFAOYSA-N 439.007 4.902 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(Br)c(C)c2)[nH]1 1871579019 HQZJTXSMDKHGOB-UHFFFAOYSA-N 445.409 4.744 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871988186 LAAKBYCBHYUVRX-AOMKIAJQSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872005443 UYADFTRSPKEADM-REWPJTCUSA-N 428.598 4.924 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872055352 WFJBRHQCGWZTDN-HSZRJFAPSA-N 446.588 4.981 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872072853 WLHQKDYWUQZDNN-NRFANRHFSA-N 444.553 4.752 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)c1ccccc1)S(C)(=O)=O 1872288788 PGHLFJWINLSXLO-RUZDIDTESA-N 448.588 4.795 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccccc1Cl 1872704726 URTSEWKGVUFGQM-UHFFFAOYSA-N 436.940 4.611 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(OC(C)=O)c3)n2)cc1Cl 1872785161 HDFFUABUQVZVTD-MRXNPFEDSA-N 426.881 4.887 30 10 IJEE Cc1sc([C@H](C#N)C(=O)CN2CCC[C@@H](C)C2)nc1-c1ccc(Br)cc1 1872800239 PCLZJGZCAVVRGC-CXAGYDPISA-N 432.387 4.789 30 10 IJEE N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)CCCOc1ccc2ccccc2c1 1873684936 RSRZPFXZNQVEKG-UHFFFAOYSA-N 432.430 4.973 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2/N=C/c2sccc2C)c(C(C)(C)C)c1 1874204432 BFRMIVQKMXXDDO-YDZHTSKRSA-N 444.626 4.800 30 10 IJEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874206132 LWKALXLMNLUEJD-ZVBGSRNCSA-N 439.324 4.569 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(OC)cc1OC 1874251999 AFASSPGYWSOMOT-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1 1874450852 LGHFQVCFPRHCKV-KCDOPAPYSA-N 442.928 4.656 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cccs1 1874475245 QHQUFNDEZXYAHD-LPYMAVHISA-N 427.599 4.912 30 10 IJEE CCCN(CCC)C(=O)COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OC 1874595835 GLLQUAFLULCLPJ-PKNBQFBNSA-N 439.552 4.936 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)N(CC)CC 1874619463 CBTZIDHXFGIGAG-ZRDIBKRKSA-N 425.525 4.546 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 1891254416 IQNLKEKVBPJXMO-RUZDIDTESA-N 442.588 4.914 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)[C@@H](C)C1CC1 1901486579 WQYBWHBUOZULJL-BVZFJXPGSA-N 445.563 4.844 30 10 IJEE C=CCN(CC(=C)Br)[C@@H](CN)c1ccc(Cl)c(Br)c1F 1916873173 BLBJWEZXGXHQEE-LBPRGKRZSA-N 426.555 4.638 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1922058958 CDYYWZXGITYJGF-WIYYLYMNSA-N 428.495 4.537 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@H](O)c1ccc(Br)c(Br)c1 1922086656 RVBNKBPDTFWZQG-GOSISDBHSA-N 440.131 4.587 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 2054428481 PBNPQJPOESUNOZ-MRXNPFEDSA-N 446.320 4.603 30 10 IJEE CCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(C(F)F)c1I 2079107651 CEWKNEGVGNXTGN-UHFFFAOYSA-N 438.084 4.672 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079902825 JNNVBCNRFCGYFO-QGZVFWFLSA-N 447.320 4.727 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2110497230 FQVYGHVLDKNFMM-IAGOWNOFSA-N 443.813 4.930 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)c1cc(Br)cc(F)c1C#N 2118195939 AZAMRUGRTRPDFS-UHFFFAOYSA-N 428.346 4.980 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3cc(Cl)cc(Br)c3)C2)OC1(C)C 2132688954 JJKKDDOYZPWFIB-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ncc(Br)cc2Cl)CC1 2137178717 DJLZLTGVZZQBFI-UHFFFAOYSA-N 427.579 4.651 30 10 IJEE COC[C@@]1(CNc2ccc(Br)cc2C#N)CCCCN1C(=O)OC(C)(C)C 2162418978 ZHTGTMWXKKZWPW-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)Nc1ccc(C#N)cc1Br)C1CCC1 2186783725 PRXFWPHGHROXFP-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2219972818 VTNIGALGIKQXKJ-VAMGGRTRSA-N 440.462 4.531 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(O)(C#Cc1ccccc1Br)CC2 2235715228 IBHSXZNWUZYIEY-PPNDLDFTSA-N 434.374 4.637 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2235733055 SZWYBVPGFCVVRW-RBUKOAKNSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(OCCNc2cc(Br)cc(C#N)c2)ccn1 2240655511 FQDCYSQLKOLNLX-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE C#C[C@@H](C1CC1)N(C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919854 ZFFPNDZCCKDNHY-UIOOFZCWSA-N 444.575 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@H](CN(C(=O)OC(C)(C)C)C1CCOCC1)NCCC 2250675431 ZOXKCJAOYIXQSL-QHCPKHFHSA-N 432.605 4.544 30 10 IJEE CCN(Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267097906 UBUOPCFAYKWRCK-MSOLQXFVSA-N 444.381 4.864 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1 2268637456 MTILYASLLMTFQR-GOSISDBHSA-N 446.328 4.623 30 10 IJEE N[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 2278793611 NCDSLUVRFKSOPS-XZOQPEGZSA-N 449.348 4.796 30 10 IJEE CCN[C@@H](C#Cc1cccnc1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2295835483 NNOHGDSATAQEKW-IBGZPJMESA-N 430.346 4.893 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2296215843 DZHYVNHXMCIMHV-YSIASYRMSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 2296219896 SLXPDIHDVFJZIM-YVWKXTFCSA-N 435.406 4.814 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CCC1CN(C(=O)OC(C)(C)C)C1 2296274440 UUPYEBCJAXRMBB-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2296278353 COIGNGXNJUWJQT-CMKODMSKSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCCCCN1C(=O)OC(C)(C)C 2296292889 DCSDKGQZZWYXIB-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2296300158 DOVPUPPCBSBJFC-RSPOEFSDSA-N 433.390 4.567 30 10 IJEE CC(C)[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317350818 YMKTWBWMJVWZAC-SFHVURJKSA-N 431.386 4.687 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2321097302 NAGBYLRQDOHWJK-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)cc1OC 2323097739 GJPXGELZORHDGO-UHFFFAOYSA-N 445.471 4.562 30 10 IJEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccncc2)C3=O)cc1OC 2323097972 FDYRIHLBNCKFLU-UHFFFAOYSA-N 445.471 4.643 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1sccc1C)C2=O 2323126367 DWNYCYJJOPDMSU-UHFFFAOYSA-N 436.485 4.974 30 10 IJEE O=C(O)C=Cc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323604004 YHIVBPVPKBLPMJ-UHFFFAOYSA-N 430.387 4.759 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1cccc(Br)c1 2325702377 NFZPOAGXEXFCCO-UHFFFAOYSA-N 427.067 4.572 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)cc1 2328345646 UOLJGGSAXPBWFH-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)c1 2331180189 CLUBJNQGBIZEOF-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 2331189503 QPZXAUKHXAQOIT-UHFFFAOYSA-N 448.508 4.687 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(F)cc1 2331197063 LDSUQMWUFXHZBX-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE COCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1c[nH]c2ccccc12 2331615270 FGDKIPVAPZQOBI-UHFFFAOYSA-N 429.908 4.873 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OC(=O)COC)c(OC)c2)c1 2331673664 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4.998 30 10 IJEE CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2CC)cc1 100242654 QDGXVWWFQXRGAU-GOTYSUTNSA-N 431.945 4.719 30 10 IJEE CCCCCCCC(=O)NCCNC(=O)c1csc(COc2cc(C)cc(C)c2)n1 102993060 HQGAYJCPAXUWED-UHFFFAOYSA-N 431.602 4.545 30 10 IJEE C=CCn1c(-c2sc(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)nc2C)n[nH]c1=S 105702280 OMCSUKBLSXRLCO-QWHCGFSZSA-N 431.974 4.954 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCCOC(C)C 169948386 JJZUNCOJROHUKI-QHCPKHFHSA-N 449.503 4.835 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccs2)c1 169981862 YBSZOLLDGBJSBY-NRFANRHFSA-N 435.501 4.938 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccccn2)c1 169990613 BKXWAMVWPKQMKN-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1C 170049979 KLXXKDVQVBBCIQ-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2cccc(O)c2)ccc1F 170079888 DQSYOBADKHPPDZ-NRFANRHFSA-N 439.389 4.901 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(OC)cc(OC)c3)[C@H]2c2ccco2)cc1 170090174 IFHKCDBVGBQBHM-QFIPXVFZSA-N 433.460 4.642 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1c(C)[nH]c2ccccc12 170104367 HNKAKAQNSKQXHR-NRFANRHFSA-N 438.911 4.745 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170118655 SLNOMRMFBHHFKS-UPVQGACJSA-N 443.499 4.606 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1 170258537 JXPZXEYZCRWDDC-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(O)c1 170259994 BVQUJMNOLWHQCB-UPCLLVRISA-N 441.483 4.807 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccc(CC)cc1 170267896 SUJITUZOBIUQQN-OAQYLSRUSA-N 443.927 4.908 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1CCCOC(C)C 170278206 URNTWQSQRVAOFQ-MHECFPHRSA-N 449.547 4.712 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2cccc(F)c2)o1 170299123 YPMGPMOGULKCKQ-QFIPXVFZSA-N 433.435 4.835 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1c(C)[nH]c2ccccc12 170311987 KBYOSKYYHCAXAY-QHCPKHFHSA-N 448.519 4.872 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1sccc1C 170316834 XVHRSNKWXMDFRH-FQEVSTJZSA-N 448.544 4.855 30 10 IJEE CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc1 170536766 LVXCWKDWMFJWQH-KRWDZBQOSA-N 425.492 4.822 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1c(C)cc(C)cc1C 252626609 RCAUWMUENXYAIX-IBGZPJMESA-N 425.529 4.897 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCCC 407488563 FOJCTFJNLSQVMG-ROUUACIJSA-N 443.813 4.930 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 475568714 FDLXANHRYDQNAO-UHFFFAOYSA-N 447.626 4.575 30 10 IJEE N#CC1CCC(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC1 508362964 RVOJLYZOVPBLQQ-UHFFFAOYSA-N 444.379 4.970 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(c2cccc(Br)c2)CC1 508474500 UODIHHKXHFAGSZ-UHFFFAOYSA-N 438.373 4.596 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 508863430 INUOOHZGSKHQED-WIYYLYMNSA-N 436.581 4.731 30 10 IJEE C=CCNc1ncc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)s1 512992807 OTWHFECLIYWIPV-MRXNPFEDSA-N 429.590 4.657 30 10 IJEE N#CCCSc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 519440646 OYQWBZASAYGBSH-UHFFFAOYSA-N 432.549 4.518 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)cc2)cc1OC 526516852 SEWFOFZSOJOFMQ-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(O)c(Br)c1 526804033 CEFKESOLXVJODX-NHDPSOOVSA-N 431.359 4.792 30 10 IJEE C[C@@H](NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 542089925 HNAHOWNTGSUOPZ-OAHLLOKOSA-N 441.457 4.880 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C(=O)OC)c1c(F)cccc1Cl 543152388 PYBZMRKCPSJZSK-LJQANCHMSA-N 447.919 4.842 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 555264335 PWKNAPRMWALQEP-PWRODBHTSA-N 440.588 4.646 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCCCO2)cc1 559208453 VZMFSRCJYSFXIR-LJQANCHMSA-N 425.602 4.578 30 10 IJEE C=CCn1c(SCC(=O)c2ccnc(C(F)(F)F)c2)nnc1-c1ccc(OC)cc1 569882295 NTXMGSOWEQHXIW-UHFFFAOYSA-N 434.443 4.529 30 10 IJEE CCCCCCC[S@@](=O)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 586292733 BEVUECMFYCWOBP-OHZJNBGDSA-N 427.632 4.707 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)Nc1cccc(C#Cc2cccs2)c1)c1ccccc1 608273059 DOYZEOSMXQBKJF-HSZRJFAPSA-N 426.545 4.987 30 10 IJEE COc1ccc(CNC(=O)NCc2cccc(NC(=O)Nc3cccc(C)c3)c2)cc1C#N 746775252 IQFULDAFIIDEJJ-UHFFFAOYSA-N 443.507 4.519 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C(C)=C/c1cccc(Cl)c1 758882796 DRHFZZPKOSSRSE-FYPAKXHLSA-N 426.900 4.630 30 10 IJEE CC(=O)[C@H](Cc1ccc(F)c(F)c1F)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 768699834 YJMWPRVGRBMNDG-IBGZPJMESA-N 440.377 4.520 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cccc(Br)c2)n1 803520917 VGLVUDHNLNUCPK-LJQANCHMSA-N 439.378 4.866 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 804457031 MQZLGCIJYGNCEH-JLQMKUNGSA-N 444.531 4.643 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 812184556 INIDNSLHRJRRDE-FQEVSTJZSA-N 445.567 4.979 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3)n2)cc1Cl 1083953689 LOAMWFJTEKBNAQ-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1124510849 GYNVYHDGMTUGSQ-DEOSSOPVSA-N 442.581 4.638 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 1126141601 NDTDCKNFVZVEIH-FQEVSTJZSA-N 432.630 4.767 30 10 IJEE C=CCN(C(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1)C1CC1 1127604469 VAIAQMHLPWGSCB-NVQXNPDNSA-N 448.563 4.674 30 10 IJEE C=C(C)[C@@H](CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)OCC 1127728803 UAZACNYTXYSRFB-FCHUYYIVSA-N 426.557 4.893 30 10 IJEE C=CC[C@@H](OC(=O)C1CCN(S(=O)(=O)CCCC)CC1)c1ccc(Cl)c(Cl)c1 1128434202 TUASJAIXQQUPGU-LJQANCHMSA-N 448.412 4.996 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1129663544 GMTUHUFDFDEXQK-NZQKXSOJSA-N 436.552 4.661 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 1129702839 NPMBJKRVJQJLEM-LBPRGKRZSA-N 444.251 4.745 30 10 IJEE C#Cc1cccc(NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)c1 1135252708 CLHVIIBHOVNOHZ-UHFFFAOYSA-N 425.307 4.997 30 10 IJEE N#Cc1ccc(OCC(=O)NCCc2nc(C3CCCCC3)cs2)cc1Br 1136627204 ACEXJFRPWYTMPL-UHFFFAOYSA-N 448.386 4.563 30 10 IJEE C=CCN(C(=O)c1cc(Cl)nc(C(F)(F)F)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1154301260 KFRXWGKPYXDDBC-INIZCTEOSA-N 440.849 4.556 30 10 IJEE CCS[C@@H]1CCCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 1190933507 GEBBTBSIBYMEAO-OAQYLSRUSA-N 442.604 4.710 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)C2(COCc3ccccc3)CC2)c1 1209117337 MDLNLKLGKVAHEL-UHFFFAOYSA-N 437.586 4.815 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1Cc1ccccc1Br)C(C)C 1211222724 NFIAZRNEJZAFRU-IFMALSPDSA-N 448.449 4.864 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)c1ccccc1Br 1215269432 ADTOCLGQXKDWCP-DYVFJYSZSA-N 434.359 4.698 30 10 IJEE CCOC(=O)c1c(NC(=O)N(Cc2cccc(Cl)c2)CC(C)C)c(C#N)cn1CC 1219176156 CHVCFDOCQFVNTB-UHFFFAOYSA-N 430.936 4.900 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 1223905982 PMMBDGZWOIZQOJ-JJRVBVJISA-N 433.350 4.994 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C)c1ccc(Br)cc1 1252459001 NXWZCVXANNQPSN-XMSQKQJNSA-N 440.385 4.661 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1 1252969921 BFAYLGURGAKJLJ-RBUKOAKNSA-N 433.618 4.727 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C 1252972023 WTRPXYCVDULHPY-SGNDLWITSA-N 436.600 4.766 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(-c3ccc(F)cc3)nc(C)n2)CCCN1C(=O)OC(C)(C)C 1275462163 AGSLLTRLWTYDHS-DEOSSOPVSA-N 440.519 4.875 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C2CC2)cs1 1286275556 ROAXZSOMVYHKHB-ZDUSSCGKSA-N 442.386 4.548 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286316232 JJGFJBKATZYAAY-RTWAWAEBSA-N 430.600 4.524 30 10 IJEE C#CCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1286348429 WQOUAGZKYOXGJF-SFHVURJKSA-N 430.325 4.596 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1286353936 CVXPTPXXZUCZGZ-UHFFFAOYSA-N 433.625 4.914 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)C(C)(C)C1 1286510305 OPLFWVYVNLONLR-LJQANCHMSA-N 426.630 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CC1CCC1 1286564426 VECNBMPZUYYUAT-LNRXMEIDSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1Cc1ccco1 1286582805 FSQRGHHIPGUAMF-UHFFFAOYSA-N 431.334 4.663 30 10 IJEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N(CC)Cc1ccc(Cl)s1 1286618654 DWBYXIFXDFPWGQ-UHFFFAOYSA-N 430.405 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2nc(C)cs2)CC1 1286640799 QRIOMQMPFJZUCF-UHFFFAOYSA-N 448.365 4.816 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(C)ccc2OC(F)F)CC1 1286661309 ZDIKDUUZCKVKFQ-FQEVSTJZSA-N 432.515 4.880 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](COC(C)C)C1 1286666109 CIXNYIBMJYPMIH-OAQYLSRUSA-N 449.599 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1286672803 JNDZGFUEMUQGRW-UHFFFAOYSA-N 426.568 4.907 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ncc(C)s2)CC1 1286689867 FGAMCTSHVHOEKT-PMACEKPBSA-N 445.633 4.507 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1286692123 AXLFJLDWUHYMJK-MRXNPFEDSA-N 433.959 4.513 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1286698482 ZRUGVUHRFMIRLB-LJQANCHMSA-N 434.588 4.525 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CCC(=O)N1CCCCC1 1286744352 HWYIOFDQTNZQAJ-UHFFFAOYSA-N 435.616 4.606 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CCN(CCC)C(=O)OC(C)(C)C 1286744356 HYKSCBSNEUYVCH-UHFFFAOYSA-N 431.556 4.565 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1286745694 ZTBDJHDUCCWIQF-CQOQZXRMSA-N 437.632 4.690 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2CCCCS2)C1 1286801553 ZQWULTQYELFODQ-FSSWDIPSSA-N 426.630 4.887 30 10 IJEE C=CCSCCn1c(CC)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1286831425 FEGOGKKFYHNUIN-INIZCTEOSA-N 427.387 4.669 30 10 IJEE C[C@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1291083403 BDRWPXYHIKDIFI-UNMCSNQZSA-N 434.632 4.891 30 10 IJEE CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1291350071 HNHGZMGXTGSEGO-DEOSSOPVSA-N 441.576 4.537 30 10 IJEE CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)[C@@H](C)CC#N)CC1 1292419805 GMNKXCCGEAOTHT-AWEZNQCLSA-N 432.366 4.645 30 10 IJEE C=C(C)[C@@H](NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)c1ccc(F)c(F)c1 1296650776 BUMZGCAOVKOBOK-JOCHJYFZSA-N 442.535 4.996 30 10 IJEE CCOc1ncccc1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1296894391 HJTPCWALPDAFTK-QUCCMNQESA-N 448.571 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCO[C@H]1C(C)C 1300293011 NLGQMQNVIANNDW-QKLQHJQFSA-N 445.405 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COCc1ccccc1 1300330558 ZIWPXFXRDCAVNX-IRMYBRCSSA-N 438.616 4.508 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC[C@H]1CCCCO1 1300522011 ZZOXHOBVZQNUNR-GOSISDBHSA-N 431.367 4.674 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)CC 1300644266 YYDWNAJMCBPVHN-RUZDIDTESA-N 442.579 4.534 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CC(F)C1 1300830749 KFSNPLZZBXYMKU-NFOMZHRRSA-N 441.320 4.650 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(C)OCCc2sccc21 1300917933 QBJHJDKDTDEFJS-XMMPIXPASA-N 440.588 4.960 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1300936750 JZGVGXHKYAUFTD-KRWDZBQOSA-N 449.624 4.704 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1300937211 MEVXUUIURHZYTE-UHFFFAOYSA-N 447.345 4.689 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CC=CCC1 1300950355 BBBCOUVKABAEKC-VQTJNVASSA-N 429.609 4.761 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(CC)(CC)SC)CC1 1301119501 LGNUFNHKRGFSRS-UHFFFAOYSA-N 428.602 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCCC)CC1 1301143790 RVASEGJWSJPXOF-UHFFFAOYSA-N 448.615 4.552 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301178007 CWRBFBKQWJSPQT-QGZVFWFLSA-N 436.478 4.851 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301225297 BCFBNKPEXXXNNI-LJQANCHMSA-N 439.604 4.919 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1301239826 VEBBROVJWGLJMQ-SFTDATJTSA-N 449.599 4.559 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)[C@@H](C)CC)C1CC1 1301317750 XYCYPZOXTQFODW-DJJJIMSYSA-N 439.423 4.721 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC1(C)CCCC1 1301340666 BFWFCJJQVCLJKD-UHFFFAOYSA-N 426.568 4.908 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CC1([S@](C)=O)CCC1 1301354970 MIPXHHGVTMIKGA-HKBQPEDESA-N 444.620 4.644 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1301452450 OFEAKRKXLRDYIT-IEBWSBKVSA-N 443.567 4.915 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC([C@@H]2CCOC2)CC1 1301467058 BULWNQCAHPHIQC-HXUWFJFHSA-N 445.007 4.690 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1301606950 ZJWKELZHEAYECS-IBGZPJMESA-N 447.967 4.563 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(F)(F)F)C1 1303934184 CPANJLFHRLBVNF-NRFANRHFSA-N 445.445 4.809 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC)c1ccc(Cl)cc1F 1310576296 JTBIUKHUBWCZGI-HXUWFJFHSA-N 435.890 4.985 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1nc2c(Br)cccc2s1)C(C)C 1310699227 OQENCJMUCQOBEF-HNNXBMFYSA-N 437.407 4.879 30 10 IJEE CSc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)C#N)N2CCc3sccc3C2)cc1 1311450215 AXIGOPJRKHWNBV-HXUWFJFHSA-N 442.654 4.761 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1312334432 LWRJQTJRJNJKRP-TZIWHRDSSA-N 445.485 4.813 30 10 IJEE COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1349650954 GQALUFYXIDZCOO-OAHLLOKOSA-N 425.916 4.509 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](Oc2ccc(Cl)cc2C)c2ccccc2)c1 1354647747 YMXCHCDIIMEZRX-VWLOTQADSA-N 446.934 4.847 30 10 IJEE C=CCCC[C@H](C(=O)N(C)CC(=O)Nc1ccccc1Br)c1ccccc1 1355148560 HYIDYJNJSWCLJX-SFHVURJKSA-N 429.358 4.986 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCC(F)(F)C1 1358943161 YCJOWSSLSZCXOX-QGZVFWFLSA-N 426.467 4.622 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCCc1nc(C)cs1 1359005898 ZNSYWXBVEOSKHH-UHFFFAOYSA-N 430.581 4.741 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1359074923 WXPBBEKZJSOLOK-LYHRCORUSA-N 445.032 4.767 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1359159370 VAICWEXHKBDEJI-FPOVZHCZSA-N 429.584 4.690 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2ncccc2C)CC1 1359162176 GXSNHSNQIDFBRK-UHFFFAOYSA-N 433.556 4.651 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1359168039 GANCKBLYYPELNO-QHCPKHFHSA-N 437.632 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc2ccccc2[nH]1 1359183184 FJLUMDJMJHJHMI-UHFFFAOYSA-N 443.555 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1csc(Br)c1 1359186297 AKKZEFSBWNLIPJ-UHFFFAOYSA-N 447.406 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1cc(C(C)(C)C)no1 1359255278 UBJNRKAOVAKBGI-UHFFFAOYSA-N 432.572 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C(F)(F)F 1359273948 UQOWCAYUDWADCJ-UHFFFAOYSA-N 433.503 4.879 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H]2CC=CCC2)cc1 1359308458 OURLRYKAXYKUFW-JOCHJYFZSA-N 446.599 4.545 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(OCC)c(OCC)c2)c1 1463004891 DMTVOBPLFQVEDL-UHFFFAOYSA-N 441.574 4.922 30 10 IJEE CC(C)[C@H](CO)[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(C)C 1465516247 GQMWQVIEGFQEKW-REWPJTCUSA-N 427.520 4.687 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(C)c(S(=O)(=O)C3CCCC3)c2)cc1 1466620913 CFHMEDSBOSDMCY-UHFFFAOYSA-N 428.554 4.598 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1)C(C)C 1467660787 YYRFYFZNTXZHRE-VWLOTQADSA-N 449.643 4.665 30 10 IJEE C=CCCC1(CNC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CCCC1 1470790084 DSNKBNDIOFCPOO-GOSISDBHSA-N 428.495 4.613 30 10 IJEE N#Cc1ccccc1OC[C@H](O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1Cl 1473301076 GGJHVDBIIUSODP-AUSIDOKSSA-N 427.331 4.984 30 10 IJEE C[C@@](O)(CNC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)c1ccc(F)cc1F 1476533097 HXJXFCLZXMCQEE-QGZVFWFLSA-N 440.315 4.614 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(Cl)c1 1477146324 DMMMLXWSJUIVCS-OAQYLSRUSA-N 446.378 4.948 30 10 IJEE C=CCCC[C@H](NC(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1)c1ccccc1 1479190453 IOBAUWCUZWFUTG-STWLZBDKSA-N 427.589 4.982 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(C3CC3)CC2)cc1Br 1504155014 AWYXQDKAQFFMNU-CQSZACIVSA-N 444.377 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C 1507549098 YAPOKRGHHSHOML-YLJYHZDGSA-N 446.064 4.802 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)Cc1cccs1 1507670716 UAZHWXBDQGFLCH-LJQANCHMSA-N 437.012 4.926 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507679659 PEQYPVSKIURTQG-AQNXPRMDSA-N 444.023 4.651 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(c2nc(C)no2)CC1 1507856878 FVFDPIIXEFDJBE-LJQANCHMSA-N 426.952 4.648 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1507916965 ISEVIXYPMQEUIY-FQEVSTJZSA-N 425.621 4.803 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc2ccccc2[nH]1 1507960443 SZRJKRJDKZDOSR-UHFFFAOYSA-N 436.947 4.704 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCSCC(F)(F)F 1508006335 BYOVQUWQXZOARY-UHFFFAOYSA-N 427.521 4.823 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1Cc1nccs1 1508007811 GQFCNSBGVKHWIU-UHFFFAOYSA-N 425.558 4.767 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CCCC1 1508008139 CHGLWHSZCRWDFK-HSZRJFAPSA-N 430.618 4.765 30 10 IJEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC(C)C)C1CCCC1 1508057644 GCYMFGGBKCTWAQ-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE Cc1ccc(-c2cccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)c2)cc1 1519267719 BERXSKNHFYJNFR-QFIPXVFZSA-N 443.934 4.856 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1519699378 FRTLXKOTTWWMAF-VQTJNVASSA-N 439.629 4.887 30 10 IJEE C#CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)C[C@@H](C)C2 1526824919 KRLGFERYGRJWOC-AZZGVMCLSA-N 440.543 4.746 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(Br)c3ncccc23)cc(OC)c1OC 1529133153 SFKFUMIFEGYMDM-UHFFFAOYSA-N 427.298 4.995 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)cc(OC)c1OC 1530855599 QGZCQYKLJNRCKL-PXNSSMCTSA-N 446.588 4.588 30 10 IJEE COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cccc(COc2ccccc2C#N)c1 1536568389 HQMBVVKVAUXMMQ-HSZRJFAPSA-N 426.516 4.996 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 1537949801 JABPHPORMQJMDW-NRFANRHFSA-N 426.557 4.845 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(C)(C)CC1 1539097250 HDXKMLKAIAONAI-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccccc1C 1539245376 GEYMLQPJJAAPCS-LJQANCHMSA-N 428.605 4.755 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCO[C@H]1CCCC[C@H]1C 1539278878 MZDSPKBORQDEDX-GGAORHGYSA-N 436.625 4.547 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc(C(C)C)cs1 1539300202 SDQVPKSXGZELCZ-NRFANRHFSA-N 431.609 4.911 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCCC 1539305614 IWGGVYLEAZIYBX-QHCPKHFHSA-N 438.019 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC[C@@H](C)C1 1539344829 KYGIGVWHHOVFCD-OAQYLSRUSA-N 444.627 4.544 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(CC)CCOCC1 1539403834 YMZGVXMOHZPJQR-UHFFFAOYSA-N 438.616 4.535 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC1(C)C 1539497733 NXOIBDDLYXKJEW-UHFFFAOYSA-N 437.382 4.592 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539513664 LYZSPAYMGAEALG-JOCHJYFZSA-N 433.625 4.633 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(Cl)cccc2C1 1539686519 ZWPCYZKLHBOYHV-UHFFFAOYSA-N 446.780 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 1539926724 SNMWGUZZNHSPRB-OAQYLSRUSA-N 448.615 4.745 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539990904 AVJFSRSAZCFYBI-FQEVSTJZSA-N 439.604 4.913 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC(=O)NC(C)(C)C)C1CC1 1540098751 HRWPPEMYBPMJCQ-INIZCTEOSA-N 441.645 4.591 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@H]1CCCN1CC 1540139649 JFBRDKAEPBHVTN-JOCHJYFZSA-N 425.596 4.827 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H]2OCCC[C@H]2C1)C(C)C 1540151986 NZWXLUPPMYTISX-YTFSRNRJSA-N 443.680 4.571 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCC(F)(F)CC2)C1 1540887284 UDXYKSYZIMAFTD-FQEVSTJZSA-N 432.515 4.561 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)cc1 1542467287 GTIFPKCCXIKBNZ-RBBKRZOGSA-N 437.588 4.501 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 1543628926 VGQPMPRQGSZBGS-GOSISDBHSA-N 449.910 4.665 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)C1 1558269558 HKXIXHBLMPNOPG-UQBPGWFLSA-N 443.547 4.622 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)cc1OC 1560640437 QEGINNCDBOUBKD-QGZVFWFLSA-N 442.364 4.527 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(c2ccc(F)cc2F)CCCCC1 1561441543 DZYKXCKZPOWOAX-UHFFFAOYSA-N 444.425 4.993 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(Br)cnc1-n1cccn1)c1ccccc1 1562601280 CBUCFCKOHKTHII-KRWDZBQOSA-N 426.318 4.859 30 10 IJEE C#C[C@@H](NC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(Cl)cc1F 1563015107 DLHJNRVCLRXLQU-LJQANCHMSA-N 426.854 4.789 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1 1563967266 KYWNHNPEGGBHON-OAQYLSRUSA-N 435.524 4.838 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1564015051 HCRIUATUNCZANR-QFIPXVFZSA-N 442.604 4.953 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F 1564382692 LNPWIJGGJHOPOM-HNNXBMFYSA-N 435.337 4.926 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@H](c1ccccc1)c1ncc[nH]1 1570214179 MGAYOEANAXKCEC-QGZVFWFLSA-N 426.314 4.898 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1570390414 QDZHPLLIXXFWFT-GDBMZVCRSA-N 442.478 4.693 30 10 IJEE C#CCN(C(=O)CNc1cccc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1586216385 GAVHBIIWLWHVSY-GOSISDBHSA-N 433.733 4.500 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OC(C)C)nc1 1587586602 QVXIQYZIXLYDIX-LJQANCHMSA-N 431.584 4.931 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@H](C)C1 1587705935 KHMPYEVGYYOZPJ-OAQYLSRUSA-N 431.584 4.771 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C(C)C)C1 1587807416 CQZGBDJYDGRYBQ-UGKGYDQZSA-N 442.629 4.808 30 10 IJEE C#CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1cccc(C)c1C 1587898854 ZRMPSTZRWANMHE-PXNSSMCTSA-N 440.498 4.969 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC1(C)C 1589513826 BZTSRKHOVGMUDR-KNQAVFIVSA-N 440.588 4.712 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 1593631518 WCLXLHGPVLNUIB-KRWDZBQOSA-N 448.514 4.527 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCN2CC)CC1 1594430525 NLXREEFBOPBFEO-NRFANRHFSA-N 444.023 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CCC(N)=O)CC1 1594472629 GWIZUFOYYRUTGR-UHFFFAOYSA-N 446.599 4.578 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCOC(C)(C)C 1595100538 RAKZSNPVPJICQB-UHFFFAOYSA-N 435.597 4.810 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCCC1 1595133014 BLPADEATIOLEEM-OFNKIYASSA-N 441.595 4.583 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21)C(C)C 1595165224 CVYSRYYZHQGGAZ-WXFUMESZSA-N 430.600 4.504 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1595854442 BRFGQFZUNAFQCU-QAPCUYQASA-N 427.401 4.786 30 10 IJEE C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1611455606 CTKYMVHRXHTRPS-SJORKVTESA-N 431.923 4.874 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1c(C(=O)OC)sc2ccccc12)c1ccc(F)c(F)c1 1622047066 ICCLMWOZVFWTSR-QGZVFWFLSA-N 437.489 4.562 30 10 IJEE CC[C@@H](C#N)C(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 1624569531 FEDYYVWVCHTFBL-OZXSUGGESA-N 428.532 4.878 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1 1626199083 PJMHPQNIPMLLEH-UHFFFAOYSA-N 431.565 4.982 30 10 IJEE C=CC[C@@H]1N(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CCCC1(C)C 1626454571 VBXBEYQKWQKWLT-FQEVSTJZSA-N 440.588 4.654 30 10 IJEE CC1CCN([C@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c2ccccc2)CC1 1629951597 IFXUDOMOYRUHMJ-AREMUKBSSA-N 428.580 4.830 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 1632010010 SXWJAHBKGCSNHE-UHFFFAOYSA-N 440.927 4.565 30 10 IJEE C#C[C@@H](NC(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1F 1632975412 YQRRMBYHGMVKAQ-GOSISDBHSA-N 442.947 4.731 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)cc2)cc1 1638905891 GBGQQSRUYPOSTN-QFIPXVFZSA-N 440.503 4.665 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Br)c(F)c2C)CN(C(=O)OC(C)(C)C)C1 1640261952 KIBIKTICWATIEG-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE C=CCn1c(Sc2cc(C(F)(F)F)c(C(=O)OC)cn2)nnc1-c1cccc(C)c1 1649990587 REVNBTQKHCLQAC-UHFFFAOYSA-N 434.443 4.791 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(OC)ccc2ccccc12 1651558202 SXUABJIWNXRUBN-OAQYLSRUSA-N 426.557 4.757 30 10 IJEE CC(C)CN(CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 1653241532 CNOAQQUGASWNNM-KRWDZBQOSA-N 433.474 4.792 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc3cccnc23)c1 1653371239 SHZSEXMBJVIYMT-UHFFFAOYSA-N 445.496 4.798 30 10 IJEE C=CCCN(CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)OCc1ccccc1 1654203453 LBBFIAOTLXBSTD-UHFFFAOYSA-N 435.446 4.612 30 10 IJEE C#CCN(C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1657340471 UDDQLTKIHXKJSX-MOPGFXCFSA-N 438.724 4.734 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CCOc1ccccc1C(C)(C)C 1658461993 HPKXGMAHNBZBNR-MRXNPFEDSA-N 425.598 4.744 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1 1660711397 RMIAOMBSQRQTIS-QFIPXVFZSA-N 427.957 4.659 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)C2(COCc3ccccc3)CC2)c1 1667046771 MUVMCRFJDAPUQF-UHFFFAOYSA-N 431.557 4.754 30 10 IJEE C#CC1(F)CN(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4s3)cc2)C1 1669933123 ICZBOWDTQQDEAZ-UHFFFAOYSA-N 430.302 4.915 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1F 1670129026 CEODKZBIUPUCTD-APPDUMDISA-N 433.270 4.917 30 10 IJEE C#CC[C@H](NC(=O)N1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC)c1ccccc1 1670716634 QCKZMJXBCADNKY-DSITVLBTSA-N 447.579 4.972 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1 1674221720 ULBCAHSYYSEVRC-QFBILLFUSA-N 433.549 4.524 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)c1ccccc1 1679252360 RZBGLGJHZPFQPJ-OAQYLSRUSA-N 429.923 4.654 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1COc2cccc(Br)c2C1)c1ccc(F)c(F)c1 1680284345 MKJIKJXMXDYGKC-BFUOFWGJSA-N 437.284 4.647 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1)[C@H]1CCCO1 1686184605 MFHCHSJWTYLRCU-DHIUTWEWSA-N 440.971 4.858 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC(C)C)CC1 1689848502 WKELJZWGIMCVMW-IBGZPJMESA-N 446.599 4.520 30 10 IJEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccc(Cl)s1 1689892197 AIRNVIUYIOPQPV-LJQANCHMSA-N 442.972 4.945 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC1(CCOC)CCCC1 1690069329 NBYZANJWOQJPLI-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1690251811 ZNZGMVTUMYVWEX-OFNKIYASSA-N 439.560 4.535 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CCSCC 1690276184 OETXDJQMAFHZQE-CQSZACIVSA-N 426.428 4.590 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C)[C@H](OC)C1 1690353020 XCJWECBFNGXXLR-LAUBAEHRSA-N 432.996 4.903 30 10 IJEE C=CC[C@H](Cn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1C(C)(C)C)c1ccccc1 1690447589 SJPQOVKYJXMREY-GGAORHGYSA-N 448.615 4.730 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1690490292 VSFWGDYJZNBBLU-ICSRJNTNSA-N 435.597 4.618 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CCCN(C)C(=O)OC(C)(C)C 1690565917 XQUBRWAYHVQPOV-UHFFFAOYSA-N 439.604 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(F)cn1 1690586211 HGSGPYNLRGCVIB-UHFFFAOYSA-N 442.336 4.777 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)c1c(C)noc1C 1690597480 VCOKQISJZRPMBH-HNNXBMFYSA-N 427.499 4.734 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC)CCC1 1690624138 HOAKTQAVDROULI-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1690733840 ONKBQZLXAYJTID-APWZRJJASA-N 427.618 4.691 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1C[C@]1(C)OCCc2sccc21 1691007791 ARJDNBHOCFLWFO-DFBJGRDBSA-N 449.624 4.599 30 10 IJEE CC(C)(C)CCCn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1691190527 GMBZNIRPBBLMID-UHFFFAOYSA-N 447.562 4.504 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1)SC 1694262745 GGUREEUFVVGIAQ-DYESRHJHSA-N 439.629 4.742 30 10 IJEE CCN(CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1695749688 BYHUOIQGFYZOGS-QFIPXVFZSA-N 447.414 4.866 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705513581 RMEOHYZCNCIGDL-INIZCTEOSA-N 440.897 4.950 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)Cc1cccs1 1705548036 WOVLRHHSNRLSMG-OAHLLOKOSA-N 429.387 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)CN(C)C 1705670339 QHDOFMUXJXFKFG-AVRWGWEMSA-N 439.673 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC1CC1 1705710728 ZKWAKXCDXGGXHK-GCJKJVERSA-N 430.980 4.728 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1705779824 YVZNAQGOZXABCD-QFIPXVFZSA-N 438.645 4.831 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(F)(F)F)CC1 1705825843 FOACVODPXJYHNZ-UHFFFAOYSA-N 443.901 4.755 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1cn2ccccc2n1 1705834879 UZURNUFNAQBPCH-KRWDZBQOSA-N 436.947 4.584 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC(=C)Br)C1CC1 1705850275 NWLLFKMAXMCEMR-UHFFFAOYSA-N 438.167 4.771 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(F)(F)F 1705860839 XAFCIYLNOCQCMT-IBGZPJMESA-N 447.505 4.825 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H](OC)C(C)(C)C 1705864716 KJKHSHBGNCRRBD-JOCHJYFZSA-N 437.563 4.657 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1705887612 QPVMDNUSAGCATR-HSZRJFAPSA-N 438.616 4.983 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC[C@H]1CCCCO1 1722280065 IRSJCBMYXUAGAE-QFBILLFUSA-N 431.378 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCN(C)C1CCCCC1 1722302942 MJDQRQFIEDRPBO-JOCHJYFZSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCCc2ccccc2)CC1 1722319491 NKDUEBCWDZQXDP-DEOSSOPVSA-N 436.600 4.551 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)C2(CCC2)C1 1722461280 NIPQQPUWSQMSEG-KRWDZBQOSA-N 430.568 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCc1nccs1 1722474398 CGXQKHRQPQXXOD-OAQYLSRUSA-N 444.029 4.915 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)c1cc(C)oc1C 1722511889 PKZFTHVJBOKEHZ-QFIPXVFZSA-N 429.952 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC=CCO1 1722517012 JXFXQKDLNPRAIY-QGZVFWFLSA-N 437.371 4.911 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@H]1CCCO1 1722527846 BGRHJSJASULQFF-HSZRJFAPSA-N 449.599 4.561 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722568286 GEPFBHRAYRROMI-FQEVSTJZSA-N 446.542 4.735 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)c2ccccc2F)CC1 1722573247 QTVMYZNAUQJLBP-UHFFFAOYSA-N 441.595 4.716 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@H]1C 1722690939 NOOVLWPXQASCGL-WTGUMLROSA-N 429.609 4.663 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2[C@@H]2C[C@H]2C(C)C)C1 1722715049 MQYKXSCYXRMIHO-CEXWTWQISA-N 431.378 4.706 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](OC)C(C)(C)C 1740542568 ACKZTOALMYVTJF-DENIHFKCSA-N 426.605 4.889 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC[C@H](C)c1ccccc1 1740662512 MHFUPXVQVVLHHB-KRWDZBQOSA-N 440.389 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1740768363 IZXYXVPJCSBBKH-QZTJIDSGSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cccs1 1740789448 LIYSMISQKOYOIK-UHFFFAOYSA-N 432.977 4.898 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1740796933 IOBAOHGKWOAADU-UHFFFAOYSA-N 428.552 4.772 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740847660 PXCAVWSTDCVZCI-UHFFFAOYSA-N 449.584 4.598 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC(C)C)C(C)C 1740847699 QXGXJYGKKFTTQU-UHFFFAOYSA-N 436.604 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C(C)(C)C1 1740847705 QZWVTHHYMGUSHJ-GOSISDBHSA-N 448.615 4.667 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1740851047 PETMGHJQIQYJJB-NRFANRHFSA-N 439.648 4.971 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(C)COCCO1 1740922537 KQVMCWAGZMQODI-DEOSSOPVSA-N 438.597 4.567 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1Cc1c(C)noc1C 1740928517 KTYLNEQKBGASPC-UHFFFAOYSA-N 446.324 4.678 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1741005799 RQJOHAANXZFZRJ-GOSISDBHSA-N 425.602 4.520 30 10 IJEE CCCCn1cc(Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@H](C)C#N)c(C)n1 1745482672 AZXAYXIMTIHBNO-QGZVFWFLSA-N 431.544 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1CCC(OC)CC1 1748649911 UWIUNVUHBHWBPO-UQPPLGOBSA-N 449.368 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(C(F)(F)F)c1 1748655797 GEJZZHLSJXBIPY-ZDUSSCGKSA-N 449.864 4.527 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCc2sccc2C1 1748734223 BSYXNIMIRBXOBI-UHFFFAOYSA-N 445.361 4.884 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1748758273 XVYYGFYHSFTMTL-DEOSSOPVSA-N 447.671 4.958 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H]1CCCCN1CCC 1748940272 GZEFIFUPWVLYET-OFNKIYASSA-N 425.596 4.835 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cccs1 1749023205 QEERJXVNLSSMEU-MRXNPFEDSA-N 430.574 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCC(C)(C)O 1749147009 VQPPMOOEMRIUAS-UHFFFAOYSA-N 441.801 4.924 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 1749280321 HFXLFIHPABYGHJ-QGZVFWFLSA-N 445.976 4.725 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCSC2(C)C)CC1 1749346953 DSBUEIRDXHHMQE-GOSISDBHSA-N 430.593 4.930 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C)C1)c1ccccc1 1749384444 BPRRLBFAHXAIFB-JMJGKCIBSA-N 438.616 4.782 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1749403706 INYUPHOYDNAQFJ-NRFANRHFSA-N 449.624 4.776 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1749452315 VRIRNJALITVPKS-HXUWFJFHSA-N 437.613 4.995 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CC1([S@](C)=O)CCC1 1749547650 VNPZSAPXMFEXNW-PMERELPUSA-N 430.593 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CC1(N(C)C)CCCC1 1749565881 RUAGVRZSPOYKSL-UHFFFAOYSA-N 444.421 4.760 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 1749591344 QUZBRBHAVXQLMP-NRFANRHFSA-N 426.948 4.529 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1749640259 IJCUSCNRLKJUOG-FQEVSTJZSA-N 437.613 4.605 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1751733561 HNEKNBISAMGQCO-HJPURHCSSA-N 438.576 4.707 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C(F)F)C1 1760134077 YXYJVDFTMLYURG-GOSISDBHSA-N 432.515 4.637 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)N(CC)CC 1760290816 QVPJXYSNDZBUGX-RXFWQSSRSA-N 430.600 4.524 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1760387731 UMZIRXSHXAUEJA-IBGZPJMESA-N 448.514 4.725 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760434239 TYBUOYJEQDKOLX-QFIPXVFZSA-N 437.632 4.868 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1(N2CCC(OC)CC2)CCCC1 1760454466 KOPNIQQRGQGCGH-UHFFFAOYSA-N 444.023 4.644 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccc(OC)cc1 1760454959 WHFIJDDIXMQKJG-UHFFFAOYSA-N 444.377 4.644 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CC(F)(F)CO1 1760456830 YELOXCONRYPXHH-DOTOQJQBSA-N 440.922 4.735 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCC1(F)F)C1CC1 1760476335 OEJNIGNOBNIMDN-GOSISDBHSA-N 427.499 4.709 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C)CCCC1 1770536916 HMSWPBRVISVURO-JOCHJYFZSA-N 429.565 4.601 30 10 IJEE Fc1ccc(OCc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2C2CC2)cc1 1770719262 CYFBCGZAGSIVDV-UHFFFAOYSA-N 438.347 4.652 30 10 IJEE C/C(=C1/SC(=Nc2cccc(C(=O)O)c2)N(C)C1=O)c1ccc(Br)cc1 1772737627 MNMAWANLAONZFK-SKCGTWTRSA-N 431.311 4.771 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccccc2F)cc1 1859401921 HAOVJRHXAGKMSV-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)/C=C/c2ccccc2Br)c1 1860726633 XQOMVVMBQNKPRN-VAWYXSNFSA-N 430.298 4.627 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(OC)cc1OC 1861561583 QYERLPIYHXIOTD-DKXPKDADSA-N 432.605 4.869 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)/C=C/c1ccc(OCC)c(OC)c1 1861585488 RXTQRZUJIHLRAE-YEXLONIWSA-N 432.605 4.869 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(O)c2)cc1 1862412209 YZYINTXCBBZPEY-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1862435891 HODIVAASBWFFJK-LJQANCHMSA-N 426.856 4.769 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 1862468764 XGCYJROHGDAFTD-GOSISDBHSA-N 432.289 4.823 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2OC)c1 1862474798 VLYMSTKMOGTSBD-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862598895 ZWRVDQVPDXDTMZ-QHCPKHFHSA-N 447.462 4.709 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)ccc1O 1862623413 SWCSMUJEZROKEN-QFIPXVFZSA-N 435.520 4.829 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H](C)O)cc1 1862656133 WWJAWXWJTLVTAA-XDHUDOTRSA-N 445.515 4.588 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1F 1862739193 SLMMBMDPZFJPKM-LJQANCHMSA-N 430.407 4.642 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862759881 ADBCTKMKVIYLAV-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862981124 LADUAZOYRTWBBR-UHFFFAOYSA-N 448.482 4.615 30 10 IJEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(F)cc3F)C2=O)c1 1863131735 DLYVTLIVCZZFQP-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1c(Cl)cccc1Cl 1864240206 QUBSBYZDOWZAKQ-GOSISDBHSA-N 449.382 4.549 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C 1868846341 BMMSDDNVSKITJF-DENIHFKCSA-N 435.406 4.674 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1ccccn1 1870490561 QZCMWBFAMBVKLY-UHFFFAOYSA-N 429.564 4.661 30 10 IJEE C=CCn1nc(C(=O)N(c2ccccc2)c2ccccc2)c(I)c1C 1871336046 HHJWWTYPHPOSBY-UHFFFAOYSA-N 443.288 4.961 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872436402 FTWFTOWGNJVEOP-IIBYNOLFSA-N 434.989 4.879 30 10 IJEE CC(C)COc1ccc(N2CC(=O)C(c3nc4c(s3)CCc3ccccc3-4)=C2N)cc1 1872724835 UEVHJNLNZHVJML-UHFFFAOYSA-N 431.561 4.660 30 10 IJEE N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccccc2Cl)cs1 1872764228 HUZSKOMCGADXSP-AEFFLSMTSA-N 435.936 4.688 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773259 MCEWLGZOJFHEMX-MLGOLLRUSA-N 426.881 4.836 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@H](C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774408 QCAWINDKLLJZRF-DYVFJYSZSA-N 440.908 4.878 30 10 IJEE C=CCNC(=O)c1ccc2nc(CCCOc3ccc(Br)cc3Cl)[nH]c2c1 1872802546 LBHSVJNXEMSNKQ-UHFFFAOYSA-N 448.748 4.906 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)cc1 1872869512 FTOYVSPFNOEFKV-UHFFFAOYSA-N 425.532 4.532 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(NCc3ccncc3)ncnc21 1873618598 SEJNOWUGIVKNBG-UHFFFAOYSA-N 448.914 4.539 30 10 IJEE CCCCCCCCCCNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O 1873936409 GHVSFMQGXMPKFG-FQEVSTJZSA-N 435.996 4.798 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1F 1874218951 MWVWOIJZXKFXCP-AFUMVMLFSA-N 440.544 4.770 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(OC)c(OC)c1 1874324288 JJCTXYOHIAWVRP-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(C(C)C)cc1 1874411567 AICFJDASZAGNJS-ZVHZXABRSA-N 441.626 4.554 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2ccccc2C)nnc1C(C)C 1874510703 WHMQFEBLWIBITG-ZMOGYAJESA-N 440.569 4.910 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c1 1874512190 LKCMWRAVGMBJCC-WSDLNYQXSA-N 441.513 4.501 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2C2CC2)cc1 1874523609 XJUQKDWPVUHYAY-JVWAILMASA-N 447.608 4.744 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)cc1OC 1874590208 YYKXWYCBRGZCJS-VOTSOKGWSA-N 447.325 4.831 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)ccc1OCC(=O)NCc1ccco1 1874604802 GAQQEKYTHXPGAV-UKTHLTGXSA-N 433.504 4.832 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Br 1874617534 GRGDUADTLHLJCL-RMKNXTFCSA-N 430.342 4.867 30 10 IJEE CCCNC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1874622278 VSNUSAADLIQKKM-MDWZMJQESA-N 439.552 4.802 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)cc3)c2)cc1 1874697668 JXRGEEPXVMQFQG-FRKPEAEDSA-N 432.472 4.974 30 10 IJEE CN(C)c1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] 1874708461 DPDRZNMTFOPLHY-AWNIVKPZSA-N 434.423 4.915 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(CCCOc3ccccc3)nnc2s1 1874768006 WMFOCNOHJHYMDL-UHFFFAOYSA-N 429.590 4.564 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OC(=O)c1cnc(C)cn1 1875098729 JHVJPSYHXWNBNJ-YRNVUSSQSA-N 428.488 4.788 30 10 IJEE COCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1875136888 KXAYTKTVZBLUMC-RMKNXTFCSA-N 433.298 4.604 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Br)c3F)ccc21 1891251835 ADHHRBUMDZSCPO-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 1891579491 HQSGXUFUZGQXLJ-GFCCVEGCSA-N 449.370 4.999 30 10 IJEE C#C[C@@]1(Oc2cc(Br)ccc2C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1903210127 XNDDUHFPCNJJGS-QGZVFWFLSA-N 434.252 4.860 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(COC)CCCN1C(=O)OC(C)(C)C 1922121820 ZSUOTTQITJBTGA-WIOPSUGQSA-N 432.605 4.544 30 10 IJEE CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1oncc1C(=O)O 1952194500 IADYLFDOZDLIKO-FQEVSTJZSA-N 438.505 4.661 30 10 IJEE C#CCN(C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCCC1 1984723630 AASIREXVIHUIGJ-AREMUKBSSA-N 444.575 4.954 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@@H]1C#N 1985178824 CUTKWVCOVLIZQO-OSWQYVSFSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 2038676441 HAJYDQKDUNLEHM-SANMLTNESA-N 439.600 4.884 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 2045250618 VRHXFOYZOSQCLI-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)cc1F 2080127382 UBXKMLKVSLPFCX-AWEZNQCLSA-N 449.214 4.690 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 2102884018 LZYPGZHSNHXDMJ-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1cc(Br)cc(F)c1C#N 2174813303 UMRHKGLKESRLEX-WBMJQRKESA-N 440.357 4.978 30 10 IJEE CN(C(=O)OC(C)(C)C)C1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)c(Br)c1F 2174814887 NAHVBEBSUQTJAJ-YIONKMFJSA-N 438.341 4.827 30 10 IJEE CC(C)(C)C[C@@H](CC(=O)Nc1ccc(C#N)c(Br)c1)NC(=O)OC(C)(C)C 2181043765 CXOATJJTGFYTJV-OAHLLOKOSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNc1cc(Br)cnc1C#N 2194006913 WBYGBJYGUFCXKC-MRXNPFEDSA-N 449.374 4.724 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1c(C)nn(C)c1Br 2197531286 CLKDSZYRDXSIJI-CQSZACIVSA-N 435.322 4.506 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1cnc(NC(=O)OC(C)(C)C)s1 2227494575 ZXUGKAFFGJBNRM-OAHLLOKOSA-N 436.375 4.955 30 10 IJEE Cc1cc(Br)c(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)s1 2229371482 ZQBCPTCMOVEWKA-XIKOKIGWSA-N 426.185 4.517 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1c(F)ccc(Br)c1F 2231229230 WEDMCLSTZVTLIH-VQTJNVASSA-N 426.301 4.512 30 10 IJEE Cc1sc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(C)c1Br 2234516250 XMZZYGOCLWSTSM-UHFFFAOYSA-N 436.180 4.679 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C 2235736577 ZGORRQWZSWISSY-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3scc(Cl)c3Cl)n2)OC1(C)C 2241112173 NZPJHWKSABMCNZ-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CCCCC2)c1 2282554107 YNDRBISASXIAPJ-UHFFFAOYSA-N 449.400 4.970 30 10 IJEE CC1(C)OB(c2cc(N[C@H]3CCN(Cc4ccccc4)C4(CCC4)C3)ccc2N)OC1(C)C 2283025789 UGQYURMOVGVBHM-QFIPXVFZSA-N 447.432 4.567 30 10 IJEE CC(C)(C)C#CC=CC[C@H](NN)c1ccc(I)c(Br)c1 2284075375 FDUQVLSWYKSYNE-HNNXBMFYSA-N 447.158 4.554 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2cccc(Br)c2)CCC2(CC2)CC1 2296226155 CKZIJLRMBQDVFB-SFHVURJKSA-N 433.390 4.746 30 10 IJEE Clc1ccccc1C=CC=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 2297186857 WHBPKKYZXJNKAR-UHFFFAOYSA-N 425.968 4.617 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3[C@H](c3coc5ccccc5c3=O)CC(=O)O4)C2=O)o1 2297592269 MKPYKACNVRQWAS-KRWDZBQOSA-N 440.407 4.752 30 10 IJEE COc1cc(Br)cc(C=C2SC(=NCc3cc(C)cc(C)c3)NC2=O)c1O 2313540556 HTKDTYDGXLVVJS-UHFFFAOYSA-N 447.354 4.540 30 10 IJEE O=C(O)c1cccc(N=C2SC(=Cc3ccc(O)c(O)c3)C(=O)N2c2ccccc2)c1 2314548224 QVZRZMXYNQGUHZ-UHFFFAOYSA-N 432.457 4.605 30 10 IJEE CCN[C@H](C#C[C@H]1CC1(C)C)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2317330885 QQQDCMJNZBCBAL-QHWMMSMNSA-N 440.628 4.858 30 10 IJEE CCC[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317355017 UFSKIMNRWVXWTG-KAUXGEHWSA-N 432.370 4.798 30 10 IJEE CCN[C@@H](C#Cc1ccn(C2CC2)n1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2318159309 MMAJLMGXPJIJDO-JOCHJYFZSA-N 436.600 4.765 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC 2323719064 IIXALLOQXMNDFJ-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 2323978895 LCYGSIZEHGADJR-UHFFFAOYSA-N 445.443 4.669 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc(O)c2CN2CCOc3ccccc32)C1=O 2324154515 ZIZBLIGCWONCLJ-UHFFFAOYSA-N 429.472 4.806 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325737272 OAAQBDUWKZUPLT-UHFFFAOYSA-N 444.443 4.791 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cc(C)ccc1O 2326071229 PLCVFPNQRZGIDE-UHFFFAOYSA-N 430.961 4.951 30 10 IJEE CCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C(=O)OC(C)C)o2)cc1 2326858620 RUIULZGXILRKOX-UHFFFAOYSA-N 442.541 4.790 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1O 2327567101 MGKTWLNTYDCWPV-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(F)cc1F 2328576480 SYDAFUUHUPVDKS-UHFFFAOYSA-N 428.508 4.901 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1O 2330196935 FNYIGQDAGQRNSN-UHFFFAOYSA-N 444.560 4.692 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2O)c1 2330642786 YYZKAJHFVSFYCC-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2330658683 OAAIHMVBGJGZQZ-UHFFFAOYSA-N 448.379 4.752 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CCC2)cc1 2331488937 JGZOQVWFEYBZIU-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cnccn2)c(Br)c1)c1ccc(F)c(F)c1 2331562175 OISJBPGYAUTBPH-UHFFFAOYSA-N 445.219 4.633 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339588407 IENJPMNHIPNZBK-KQDNUWKFSA-N 443.397 4.832 30 10 IJEE CC(C)=C(CN1C[C@@]23CCC[C@@]2(C1)CN(Cc1ccccc1)C3)B1OC(C)(C)C(C)(C)O1 2340325475 KNFLMQKKGMWUNR-SVBPBHIXSA-N 436.449 4.942 30 10 IJEE CC#CCN(C[C@H](NCC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2363116726 FVXMUAPXWZIYGA-IBGZPJMESA-N 439.394 4.507 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC)cc1 35487669 OSAUSIITNQJPOY-OAQYLSRUSA-N 439.895 4.593 30 10 IJEE COc1cccc(/C=C2/Oc3c(CN4CCCC4)c(O)c(CN4CCCC4)c(C)c3C2=O)c1 37858156 SSFBNZQGXCAXBU-HZHRSRAPSA-N 448.563 4.517 30 10 IJEE CN1/C(=C\C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)C(C)(C)c2ccccc21 104999433 SIWDDXQQMGIMET-HMAPJEAMSA-N 431.561 4.704 30 10 IJEE O=S(=O)(N/N=C/c1ccccc1COc1ccccc1)c1ccc(Cl)c(Cl)c1 169902720 GNCVDGZZNLPQDY-YDZHTSKRSA-N 435.332 4.885 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2C(F)(F)F)ccc1OCc1ccc(C)cc1 169914468 PACIONHKURUFDQ-MYKKPKGFSA-N 436.459 4.754 30 10 IJEE CCN1C(=S)N[C@@H](c2cc(Cl)c(O)c(Cl)c2O)C(C(=O)c2ccccc2)=C1C 169931730 SYYDRIYLKNJKNK-INIZCTEOSA-N 437.348 4.813 30 10 IJEE CCCOc1c(Cl)cc(/C=N\Nc2nc(CC(=O)OCC)cs2)cc1OCC 169943372 CDJILISDDIRWJR-NHDPSOOVSA-N 425.938 4.536 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2)cc1 170028852 DFBBQEUEBIESNK-JOCHJYFZSA-N 444.443 4.776 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(C)c2)c(C)c1 170148061 OONIIJRWQILUHH-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC(C)C)cc1 170151719 HPMSLZVLVUHNHB-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE CCCCOC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)c1 170181335 KMHGKOIDGQEMFK-UHFFFAOYSA-N 447.560 4.792 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)c(C)c1 170190518 RTCMSHNANFXTFN-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccncc1 170211820 RUWBZJZIUDIHKL-QHCPKHFHSA-N 430.504 4.628 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170229131 GKXWYLWKJAKODF-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccccc2)s1 170229697 OEEHXSFBUBJPEI-GOSISDBHSA-N 426.444 4.821 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1 170230041 QORIXWDZMOJUJU-BEFAXECRSA-N 432.303 4.751 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc(O)c1 170263432 LXIVNQCLAFSRND-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccco1 170283817 GFWQGNDPSLQVIO-IBGZPJMESA-N 439.851 4.739 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1)c1ccncc1 170416023 HBVDQLGSHHELAF-SFHVURJKSA-N 444.434 4.940 30 10 IJEE C=CC[C@@H]1N(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCO2)CCCC1(C)C 460894419 JIPJOYPCBKOLTG-KNQAVFIVSA-N 440.588 4.616 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)c1ccc(F)c(F)c1 478916999 IFKOUKFHLIUJGS-UGSOOPFHSA-N 425.401 4.621 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 515400229 FBFURBATGNUMHU-UHFFFAOYSA-N 431.280 4.845 30 10 IJEE C=CCOc1c(Br)cc(CN(CCc2nccs2)C(C)C)cc1OC 538751544 XXDZJUALXYUUON-UHFFFAOYSA-N 425.392 4.932 30 10 IJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 702472609 UPSKJTLMOLMMBA-DHIUTWEWSA-N 429.649 4.820 30 10 IJEE C=CCC1([C@H](NC)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 722930414 VFFQVXZAYKQCHC-MRXNPFEDSA-N 431.321 4.801 30 10 IJEE CCCCN(C)c1ccc(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 740502271 FAECCQQITSIPBL-UHFFFAOYSA-N 446.576 4.778 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)ccc1Cl 745229844 JUFFBMCCCYFPTL-AEFFLSMTSA-N 432.854 4.520 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cnccc3-c3ccccc3)c2)s1 760235653 BFTVGQWDODGUSZ-UHFFFAOYSA-N 438.512 4.604 30 10 IJEE C[C@@H](OC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCC2 769546149 HVKQPNXMWAMOJW-OAHLLOKOSA-N 446.532 4.551 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 775334833 BWNVZHTVENFXFS-IRXDYDNUSA-N 432.590 4.849 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](C(C)(C)C)CC1 812180459 XMGBHSBMLWOLLN-NRFANRHFSA-N 439.604 4.933 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCCN(c3ccc(C)cc3)CC2)c1=S 917486397 ZLGAYMINAFBYBE-UHFFFAOYSA-N 437.588 4.884 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1 1084588494 FBLIBHJBHDEHOV-YCEIELCESA-N 426.933 4.690 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cnc(-c2ccc(OC)cc2)s1 1124533552 CMBUROWNPUYOCU-UHFFFAOYSA-N 439.489 4.562 30 10 IJEE CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 1127330301 FNWIONKPFJMBEA-FQEVSTJZSA-N 448.548 4.961 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)cc(OC)c1OC 1128033596 OLVPKVJFNDJEJR-ZDUSSCGKSA-N 434.330 4.694 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)c1ccc(F)c(F)c1 1128142256 SJNGOYDMOIHBRK-JOCHJYFZSA-N 426.463 4.965 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)c1 1130384556 CVNDEDIZAHFCFB-UHFFFAOYSA-N 434.805 4.802 30 10 IJEE C#Cc1ccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 1134435343 OCRKDFWCXDFECR-JOCHJYFZSA-N 443.887 4.608 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(c4ccc(F)cc4)CCCCC3)n[nH]2)c1C 1136400557 RWKSPKZQOLZVER-UHFFFAOYSA-N 435.547 4.847 30 10 IJEE C#CCCOc1ccc(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)cc1 1136420171 CYQBDKDSXZEZJI-JOCHJYFZSA-N 432.486 4.920 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 1140935577 PIWOPGYMFAFBEM-PMACEKPBSA-N 426.561 4.866 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1ccc(-n2nc(C)cc2C)cc1 1177261293 AAGTVOXSUMAMRB-UHFFFAOYSA-N 438.369 4.596 30 10 IJEE C[C@H]1CCc2ccccc2N1CCNC(=O)c1cccc(COc2ccccc2C#N)c1 1182379452 HCIYVZBPROCHJX-FQEVSTJZSA-N 425.532 4.708 30 10 IJEE C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1221076755 HTMRNJNYUWBOQV-RXFWQSSRSA-N 426.564 4.758 30 10 IJEE Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 1221718941 FEHXLQFTDBETFO-UEVCKROQSA-N 436.987 4.956 30 10 IJEE C#CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)C1CCCCC1 1264868560 PNRCGZAIODFXNQ-UHFFFAOYSA-N 427.548 4.885 30 10 IJEE COc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c(OC(F)F)c1 1276766220 HYGPXFJPXTWJFA-GFCCVEGCSA-N 428.357 4.870 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCCC(C)(C)COC 1286520299 FNODIFGIIBBZAV-AREMUKBSSA-N 431.584 4.938 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1286546391 IWYIEQPLJRRMQZ-XWGVYQGASA-N 443.680 4.864 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(c2ccccc2)CCC1 1286570143 NOWZNOJUELGORY-AREMUKBSSA-N 438.616 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1286674841 WYNOXPBJSOZTFY-MRXNPFEDSA-N 433.532 4.756 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cc(COC(C)(C)C)on1 1286714826 UFGOUHZZVKLALG-MRXNPFEDSA-N 443.523 4.531 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(C)OCCc2sccc21 1286728506 AWHMYVBRXFPJSE-XMMPIXPASA-N 438.597 4.646 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1286744363 HZWDXAFEOFKKJI-UHFFFAOYSA-N 445.546 4.671 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccccc2CC1 1286827545 SMGMKAGVWJNBRM-UHFFFAOYSA-N 425.989 4.518 30 10 IJEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)cs1 1292700977 DHJCJTDQMKHGAV-KRWDZBQOSA-N 434.613 4.951 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 1295408964 PTUAHCMYBBSLAF-ICSRJNTNSA-N 440.588 4.827 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C(C)C)N1CCCC1 1300275501 VMDAMHGRAVSBNP-ACIOBRDBSA-N 437.632 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCOCCC(C)C 1300284059 XQFTUPVNZXIROI-OAHLLOKOSA-N 439.423 4.680 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CC)[C@@H](C)C1 1300343198 YLFLYGSBHZVXHF-IBGZPJMESA-N 448.640 4.711 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnccn1 1300384377 ONTDWYFYQOSHOB-GOSISDBHSA-N 438.963 4.528 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc(C)s1 1300548366 ZUOHWQBXMQHJTF-UHFFFAOYSA-N 426.998 4.715 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 1300738150 UQWJVVOUYBCEPZ-HOCLYGCPSA-N 431.627 4.760 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC2(CCC2)C[C@H]1CC 1300766185 WFJOKTNIFDYLOE-QGZVFWFLSA-N 430.568 4.673 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1 1301007037 APJSPCJCOGZEPW-LJQANCHMSA-N 437.588 4.705 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CCOCC)CCC2)CC1 1301111916 JPWWTRGFRKWJPL-UHFFFAOYSA-N 439.560 4.853 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 1301226278 RVTPYAQKMMCFNC-UHFFFAOYSA-N 443.586 4.814 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](CC)C1 1301241684 VIRRDVWIUMRJMK-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCCCC1=O)C1CC1 1301317341 QIMLEUCUVQGDSK-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@@]1(C)OCCc2sccc21 1301338396 XPXLLDDKXTZVNP-XMMPIXPASA-N 438.597 4.591 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1301394160 KFLCLAIZZSTDIU-RDPSFJRHSA-N 448.615 4.536 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3Cc4c(C)cccc4N3C(=O)OC(C)(C)C)cc2n1 1304007023 OTNUCKMETTZGMF-JOCHJYFZSA-N 432.524 4.836 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(C)CCCO1 1304134928 BIFUYNQYFSITAL-YZZKKUAISA-N 445.995 4.996 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccc(OC)cc1)C(=O)OC 1307242905 WVSGKHXRKRMKBK-SFHVURJKSA-N 429.929 4.806 30 10 IJEE CC(C)(C)OC(=O)c1cccc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 1307735608 GNZGYGVBZQCEPE-JOCHJYFZSA-N 425.960 4.678 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H](C)c2ccccc2NS(=O)(=O)c2cccs2)CC1 1313258178 LBORWMZPIFXNIX-INIZCTEOSA-N 433.599 4.656 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)C1 1323755665 LOWDMKHXQSPZPO-HNNXBMFYSA-N 425.382 4.841 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1357289337 KDEMQXQIZVCETK-INIZCTEOSA-N 438.366 4.982 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](OC)[C@@H](C)CC 1358971513 YMOGUESJXGDDDF-FUHWJXTLSA-N 441.000 4.947 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)Cc1cccs1 1359002841 OTDYADSQZKCFHJ-GOSISDBHSA-N 430.581 4.735 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1359069576 PULPFCLFSLUADY-DMJCMNNJSA-N 441.620 4.573 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)C1CC1 1359092968 IODCZMCHSKDOBN-IFXJQAMLSA-N 449.368 4.817 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1359130624 QCWFYAKFBPAYSN-HSZRJFAPSA-N 432.996 4.833 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1359166342 PFTLRLPTMPUIIR-CJFMBICVSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1359204315 LGALHPCVKXTKPU-UHFFFAOYSA-N 447.986 4.588 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(F)(F)Br 1359231719 DDYXIPJUAMBSMI-NSHDSACASA-N 435.700 4.681 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCC1)C1CC1 1359253547 KDRNXNQOJREMCP-UHFFFAOYSA-N 437.632 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1ccnc(N2CCCCC2)c1 1359273003 LASUZNFLIMANQH-UHFFFAOYSA-N 446.574 4.620 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C 1359274137 BPHSPLDIQRFTLY-UHFFFAOYSA-N 441.620 4.940 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1359279928 YCDHOWWCKFLCRO-GGAORHGYSA-N 436.556 4.653 30 10 IJEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCC[C@@H]2c2csc(C)n2)cc1 1359308425 NVADYBFINOVXEA-OAQYLSRUSA-N 439.585 4.534 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CC1 1359309073 HFJMWHYEDDQZHU-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2cc(Cl)ccc2OC(F)F)C1 1359312584 XJAXIPCXOFJALG-WMLDXEAASA-N 440.922 4.876 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@@](C)(O)CCC(C)C)C1 1359315113 OFONOTCOQQTYPE-NLFFAJNJSA-N 438.572 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)c2nc(C)cs2)C1 1359315984 GAZJHAMGPZZALO-HNAYVOBHSA-N 444.004 4.948 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1OC 1360934181 YAIPMNJYVUUOMQ-RYLLTQLHSA-N 440.971 4.832 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 1435073069 JVHLAOIHWFBZSK-HNNXBMFYSA-N 426.385 4.557 30 10 IJEE C=CC[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1 1436028903 XTJPNVCECPYXAF-SFHVURJKSA-N 428.337 4.718 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cc2n1 1439618748 ZZGYBMAJBQZXFE-IRXDYDNUSA-N 433.512 4.865 30 10 IJEE C#CC1(F)CN(C(=O)CN(CCCCC)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1455271141 BLRUGCRTPMAZMC-UHFFFAOYSA-N 448.538 4.611 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)N(C)c2ccc(C)cc2)nnc1-c1cccc(OC)c1 1458975825 DSQOFVHBHADWHV-NRFANRHFSA-N 436.581 4.982 30 10 IJEE COc1cc(F)ccc1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 1463527105 FUDSHAZJXDSDSP-CYBMUJFWSA-N 445.356 4.825 30 10 IJEE C#CC[C@@]1(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1464476827 NAUWAMOFLMLHNX-CUBQBAPOSA-N 444.575 4.954 30 10 IJEE CN1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1Cc1ccccc1 1465437389 AIQSJSYOBKBPPM-QHCPKHFHSA-N 426.520 4.741 30 10 IJEE C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1468273780 CPYKWUBXOIJMAC-INIZCTEOSA-N 429.442 4.843 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccccc1 1469447904 HPVUOZIWMMTOFO-PMACEKPBSA-N 444.316 4.902 30 10 IJEE C#CCN(C(=O)NCc1cccc(COC[C@H]2CCCO2)c1)[C@H]1CCCc2ccccc21 1470869503 IFRNOKQMCUURRM-RSXGOPAZSA-N 432.564 4.605 30 10 IJEE C=CCn1c(SCc2ncnn2CC(C)C)nc2sc(-c3ccccc3)cc2c1=O 1472968801 XCQPBACITYXZCM-UHFFFAOYSA-N 437.594 4.851 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCN(Cc2cccs2)CC1 1492557219 CMBNCZJMBMFWHN-IBGZPJMESA-N 448.640 4.823 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1502927413 BNYLXFORODXFKV-GCJKJVERSA-N 430.556 4.674 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCOCCCC 1507523670 OUODDDGMRVRTSO-OAHLLOKOSA-N 437.357 4.511 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](CCC)C1 1507557578 RAWMRBRJWNMONW-NQIIRXRSSA-N 430.980 4.880 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](CCC)C1 1507576797 MTHUVDVEQXTGTE-OAQYLSRUSA-N 434.540 4.536 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCCCc1ccccc1 1507796527 BCFAZTYXJBKZSL-BJKOFHAPSA-N 431.584 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(CC)CC1 1507809054 SEKDJLBZJKWHAC-DHLKQENFSA-N 438.616 4.680 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C(CC)CC)N(C)C)CC1 1507900822 VUDGVNDJWJZCSW-HXUWFJFHSA-N 431.028 4.762 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1507944058 LZPDLSSQFOBVLV-LPHOPBHVSA-N 433.394 4.843 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@H]1N(C)CCCC1(C)C 1507996114 GKHHLBMRXDYMFU-HSZRJFAPSA-N 439.648 4.798 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508052179 VWMCMTIPFMBPBH-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[C@H]21 1508168160 UVWCJVBPRNLTLF-CRAIPNDOSA-N 449.418 4.528 30 10 IJEE CO[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1517862918 BRFWMPLESAZLQK-SIKLNZKXSA-N 446.020 4.779 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1ncccc1C)c1ccc2c(c1)OCO2 1521284731 ZJDIOCVBJTYOHQ-QBFSEMIESA-N 428.488 4.930 30 10 IJEE CC[C@@](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)(C(=O)OC)c1ccccc1 1525728229 HHLGGIGLMBLHLD-VWLOTQADSA-N 430.529 4.918 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(Br)cc(C(=O)OC)c2)C(F)(F)F)cc1 1525856314 MJQAAXPSJGQMTE-MRXNPFEDSA-N 441.199 4.677 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC(C)(C)C)ccc1Cl 1526432855 MPIQUKXUMPKQSO-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(OCC#N)c1)c1ccccc1C(F)(F)F 1527022459 FRDRHBIMFMJNQT-SFHVURJKSA-N 449.429 4.812 30 10 IJEE C=CCC1(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CCOCC1 1527965152 YINPVPNPJXQJTO-JOCHJYFZSA-N 438.568 4.895 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)c1ccc(F)c(F)c1 1529492478 QGIXAPKEYMMEIK-XXBNENTESA-N 426.507 4.867 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)C(C)(C)C)cc1 1529501576 WUWAGWNSMVLFBU-UHFFFAOYSA-N 440.494 4.860 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)COc1ccc(Oc2ccccc2)cc1 1531612912 PWRHEWXQZOTBME-UHFFFAOYSA-N 448.471 4.987 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(Br)c3ncccc23)c(OC)c1 1532435091 RJTREQFHXXPRLF-UHFFFAOYSA-N 427.298 4.752 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(c3cc(F)ccc3F)CC2)cc1 1532482194 FQQJNIIKIOIPLN-UHFFFAOYSA-N 433.458 4.900 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)cc1OC 1534113337 NXBZCZQCWUZUPM-FPBAGDOUSA-N 437.536 4.647 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)c1ccccc1 1536595126 VMQVMYHGGROYIO-WRALFONMSA-N 438.568 4.930 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 1538385708 UFACTIKRKNIFRA-NRFANRHFSA-N 429.969 4.977 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCC1 1539620163 JTTZFUZAAQQENU-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC(=O)N2CCCCC2)CC1 1539874384 MBFOYIOHLUYJCD-QHCPKHFHSA-N 435.616 4.625 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccncc2Cl)CC1 1539875562 TUEKCTYISHKZMB-UHFFFAOYSA-N 447.768 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(CCC)C(=O)C1 1539906576 QLZDFDRZIMAATL-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1539916798 NYSMFUDEWHFUFZ-FQEVSTJZSA-N 440.588 4.702 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@@H](C)C1 1540191098 CIJQERVJMFWQTM-CABCVRRESA-N 439.423 4.844 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H]2C)C1 1540896338 KHZQAYPWHSNWSU-LVCYWYKZSA-N 430.980 4.728 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)OCc3cn(-c4ccc(Cl)cc4)nn3)c2)cc1 1543752218 GFOURVNIWPGNLQ-UHFFFAOYSA-N 430.851 4.942 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)C[C@H](O)c2ccc(C)cc2)s1 1545155126 GTRKVHHATRUQTQ-KRWDZBQOSA-N 425.019 4.729 30 10 IJEE COc1cc(Cl)ccc1Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1 1554776984 FZAZCPNWPATOGJ-UHFFFAOYSA-N 427.980 4.851 30 10 IJEE N#CCC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CSCCS2)CC1 1555993929 DAUQCQVPRKWDEY-SFHVURJKSA-N 434.034 4.577 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 1556492658 KKTGRGAXRXZPMD-NRFANRHFSA-N 434.552 4.583 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(-c2ccc(F)cc2C)cc1O 1556967442 HEEUHIKFTFIDFS-UHFFFAOYSA-N 446.276 4.605 30 10 IJEE COc1ccccc1Nc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1557298400 GDSSFOFFVQGFHO-UHFFFAOYSA-N 440.547 4.705 30 10 IJEE C=CCn1c(SCC[C@@H]2CCNC2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1559315669 DKMDUBPLGKAPGU-DOTOQJQBSA-N 444.670 4.962 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(CCC(=O)Nc2cccc3ccccc23)CC1 1559802652 HNVBRWISVNDESJ-DEOSSOPVSA-N 432.955 4.704 30 10 IJEE C=CCN(C(=O)CN1CC(=O)CC[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1560196573 NCGCIAIPQDWHNR-CYBMUJFWSA-N 438.380 4.689 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1 1562256876 BHGMBWPNANXVKR-FQEVSTJZSA-N 430.464 4.593 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 1562318578 BIQZIADUXPNYJX-UHFFFAOYSA-N 434.540 4.547 30 10 IJEE CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)c(Br)c1 1562778888 ALEARXFHYRAGCQ-UHFFFAOYSA-N 435.391 4.758 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cc1OC 1584037439 ZIDOJTVEFJSQJD-WEVVVXLNSA-N 433.258 4.583 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)C1 1585491185 KSHGINOYBLFOCD-FQEVSTJZSA-N 426.582 4.868 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1587746056 IBSGMEKDRAJNDE-LADGPHEKSA-N 442.611 4.633 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCSC1 1588451885 IQKUPDQYMNEJBX-OAHLLOKOSA-N 439.412 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](OC)C(C)(C)C 1589149967 BOBFRBMSQDFNBJ-GERBCZOESA-N 428.552 4.610 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccoc1 1589568804 MRRJMSOFCVFBLS-ZJSXRUAMSA-N 436.556 4.685 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2cc(C)on2)CC1 1594208498 JNRXXPAQGDWMJC-UHFFFAOYSA-N 442.361 4.763 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C)[C@@H]1C 1594472328 DHAOWCRPCWUFDY-IRXDYDNUSA-N 428.602 4.649 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC(Cn2cncn2)CC1)c1ccccc1 1594534549 MBWNIRGNKBGYSE-NZQKXSOJSA-N 433.604 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCC[C@@H]1C 1595109244 WBVPNOCQNFTPCG-IBGZPJMESA-N 436.991 4.670 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2ccccc2CC1)C(C)C 1595166776 XGHAMMNZOSQIFJ-VWLOTQADSA-N 444.627 4.577 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1595296445 FTOZKLREJBMWIA-RBBKRZOGSA-N 443.661 4.719 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2cccc(F)c2)C1 1595737750 HKMZGONKRPDLBA-NRFANRHFSA-N 440.588 4.829 30 10 IJEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)ccn1 1620231037 IFSTVSFCTUCJIJ-KRWDZBQOSA-N 432.597 4.854 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1621949656 UMJUOMAEMXZOIT-INIZCTEOSA-N 444.431 4.608 30 10 IJEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(Oc3ccc(SC)cc3)cc2)cc1 1622152470 XTMOZZVPTVFWEY-UHFFFAOYSA-N 439.558 4.691 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 1625074373 RWKMNPPZOBLXIL-OAHLLOKOSA-N 429.483 4.960 30 10 IJEE COc1ncc(NC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)cc1C#N 1627437601 IAWQOCDDTVAYJZ-UHFFFAOYSA-N 435.871 4.820 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(CC)nnc1C)c1ccc2c(c1)OCCO2 1628565145 FWWKRGXXIAESTI-UHFFFAOYSA-N 445.519 4.530 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1cc(Cl)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1633791068 SAKCSKMKXLCICG-OAHLLOKOSA-N 437.943 4.584 30 10 IJEE C=CC[C@H](CC)NC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1634783621 OYHYUQMNHOTMQE-ICSRJNTNSA-N 443.588 4.934 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2ccccc2Br)C1 1636098587 KIALHLRAMOXMDO-RXVVDRJESA-N 429.358 4.719 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 1637085141 GSINLNVWVUCPFP-JOCHJYFZSA-N 426.601 4.997 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CSc1nc2ccccc2nc1N1CCCC1 1637847999 FOQFWXURNSFFFZ-FQEVSTJZSA-N 432.593 4.626 30 10 IJEE C#C[C@@H](NC(=O)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1 1642102907 GVYMHVVPXYYWQN-LJQANCHMSA-N 427.287 4.864 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1)C1(CO)CCCC1 1643339933 AVPPHEWFQTYMOZ-YADARESESA-N 437.609 4.760 30 10 IJEE CSc1ccccc1OC[C@H](O)CN(Cc1ccc(Br)cc1C#N)C(C)C 1643420977 AYBWTUXKPVJXLE-LJQANCHMSA-N 449.414 4.693 30 10 IJEE C=CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)OCC 1645291192 VLDRZBCECWCWAL-HXUWFJFHSA-N 447.329 4.520 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3cccc(Cl)c3)CC(C)C)ccc2c1=O 1646502730 FGYCZERBBPAAOE-UHFFFAOYSA-N 441.984 4.823 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc([C@@H]3CCCO3)n2)nnc1-c1cccc(OC)c1 1650840889 ZOJKSRQPOMRYML-HNNXBMFYSA-N 429.933 4.586 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1OC 1652878479 MRXWZDKUAUTBHV-UHFFFAOYSA-N 441.881 4.649 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1ccc(I)cc1C)c1ccccc1 1653071416 IURRGPRWVANGHH-IBGZPJMESA-N 434.321 4.835 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)c1ccc(F)c(F)c1 1655031092 IDLLBJMRCPOSPW-MRXNPFEDSA-N 438.240 4.601 30 10 IJEE C=CCn1c(S[C@H](C(=O)N[C@H](C)CC)C(C)C)nc2sc3c(c2c1=O)CCCC3 1656066884 JAKJWYAHTGQCTD-KDOFPFPSSA-N 433.643 4.554 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1658156509 QBNNNKHLMBRTBO-KDURUIRLSA-N 441.553 4.519 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1)c1ccc(Cl)cc1 1659117802 INDQPVGRQBEHME-NRFANRHFSA-N 436.943 4.659 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 1659391966 RBKRZKGNWSVYJK-XMSQKQJNSA-N 440.609 4.592 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(F)c(OC)cc1F)c1ccc(C(F)(F)F)cc1 1662379575 XBWPGQFPNXXSAO-INIZCTEOSA-N 435.414 4.978 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc1 1664087805 XWMBLYVBISLUPU-HRAATJIYSA-N 439.499 4.975 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](N2CCCC2=O)CC1 1666307090 FRIBZKGKURWNDL-FQEVSTJZSA-N 432.524 4.668 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)CCN2CCCCCC2)cc1 1666389247 CWCMLPNTJTWRAT-UHFFFAOYSA-N 426.605 4.667 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 1673313914 ZLUJARYBGVIJNC-UHFFFAOYSA-N 428.414 4.533 30 10 IJEE C=C(C)c1cccc(NC(=O)NCc2ccc(Br)cc2N2CCOCC2)c1 1674976715 ZDXATPMNBUJAOS-UHFFFAOYSA-N 430.346 4.641 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CC1 1683757792 MISIITOMJMBFBN-FGZHOGPDSA-N 445.579 4.964 30 10 IJEE CC(C)(CCCc1ccccc1)CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1684593055 HPPMQSLJYVGJCB-UHFFFAOYSA-N 434.584 4.992 30 10 IJEE CN(C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H](c1ccccc1)c1ncc[nH]1 1684790020 HWJIHWUHWPYQJN-JOCHJYFZSA-N 427.533 4.941 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1 1686217726 KVUXKKQZUSMEJM-HXUWFJFHSA-N 431.305 4.551 30 10 IJEE C=CCCCCCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccc(OC)cc2)C1 1686411787 OZQZOZGEPKKNFX-FCHUYYIVSA-N 445.604 4.834 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)CC1 1687487301 AJQGZYCRXSLOQQ-UAPYVXQJSA-N 434.515 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H]1CC 1690041055 YMGMOCSTDCPENZ-OALUTQOASA-N 439.401 4.997 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN1CC 1690192493 ALVYTPHRTYVWIR-AOJNWGRGSA-N 435.616 4.511 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690231425 BNEMKENMFQXPOT-HNNXBMFYSA-N 436.423 4.542 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1cccnc1-n1cccn1 1690259826 YOUUDFIRMGCEPG-UHFFFAOYSA-N 427.556 4.539 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCCSC2)CC1 1690384453 RQFMSAUBZVPMNY-SFHVURJKSA-N 430.643 4.879 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1690441585 BKWIIUQEHFWHOI-OAQYLSRUSA-N 449.624 4.880 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1)c1ccccc1 1690444655 KIINZMCZRQBTAC-QHCPKHFHSA-N 447.631 4.735 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1690474003 NZJFQBBVUJOHKL-MSOLQXFVSA-N 448.409 4.786 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1690487769 FHRPCYIWNLGNCY-HXUWFJFHSA-N 444.004 4.831 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1CCc1nnc(C)s1 1690556441 XFBRTQXVCFGVIP-UHFFFAOYSA-N 438.601 4.540 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CCCS1 1690605323 GASHWPVHLXHWAJ-DEOSSOPVSA-N 433.581 4.931 30 10 IJEE C=CCn1c(N(C)[C@H](C)c2ccccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690652710 YFUMCEBLSYVQAL-ZACQAIPSSA-N 429.540 4.571 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCSCC=C)C1 1690690315 WJZPOAWFUXDSND-OAQYLSRUSA-N 426.630 4.943 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCOC1 1692909688 AKLPJLYTVFNUKV-SJLPKXTDSA-N 436.585 4.542 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705548728 RUFQLENSNKDSBV-QFBILLFUSA-N 445.405 4.618 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCSC1 1705573261 CPYPLWQQCDGMLN-MOPGFXCFSA-N 443.016 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)c1cccs1 1705600437 YUMJPSDNMVMGAY-UHFFFAOYSA-N 441.604 4.852 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(CC)(CC)C1 1705701117 CMOYLQJFURBOTE-ZJSXRUAMSA-N 438.616 4.875 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(F)F)CC1 1705786633 UOXXFXCRXIPXFA-HXUWFJFHSA-N 431.575 4.809 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705786708 WEPFPPQPZNVUGY-QZTJIDSGSA-N 448.409 4.786 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(=C)CC1 1705787260 MJYLZUKAWPSJMO-UHFFFAOYSA-N 427.980 4.620 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@H]1CCCO[C@H]1C(C)C)C1CC1 1705858848 XQLLFUGVHUIVEZ-MBSDFSHPSA-N 428.552 4.602 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1CCCc1c[nH]nc1C 1705870780 YCCHKSWLPREOIE-UHFFFAOYSA-N 441.377 4.550 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCc1ccccc1 1705894459 ZUEQPPLVUZYXJC-FQEVSTJZSA-N 425.577 4.605 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)c2nc(C)cs2)C1 1705916572 LMAOHNDIGMZBMI-DNVCBOLYSA-N 444.004 4.948 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCO[C@H]2CCCC[C@H]2C)C1 1705916578 LOHADRANUSQHJE-QIJUGHKUSA-N 445.007 4.975 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705942655 ZGRVXCOCFXIDTC-UHFFFAOYSA-N 431.565 4.931 30 10 IJEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccccc1 1705947580 PSFBGFHGUWGBNA-LJQANCHMSA-N 432.597 4.633 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCSC2)cc1 1710533727 DUNBHBRHIHWHBF-GUDVDZBRSA-N 443.617 4.698 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1sc(C)nc1C 1722404651 CTKOCNFRDXGPIB-UHFFFAOYSA-N 448.621 4.958 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCSC(CC)(CC)C1 1722493686 KSEHBUIHUDTADA-UYAOXDASSA-N 430.618 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(C)cc1OCC(F)(F)F 1722516737 CSIGHPAJJHRBOU-GOSISDBHSA-N 438.494 4.830 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCCOC)CC1 1722563112 TUPHSYFWIHHHRU-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1722601902 MINRBDCSSSUPGL-MOPGFXCFSA-N 443.592 4.942 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N(CCO)Cc1ccc(Br)s1 1722611016 HDAMLWGGUDLPGA-UHFFFAOYSA-N 447.402 4.734 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(OC)CCCCC1 1722666703 HVAGVTIIIBXFIX-UHFFFAOYSA-N 437.588 4.675 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](CC)C1 1722731613 ALTCMWOZBWOXFC-VQTJNVASSA-N 430.618 4.569 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740584331 KIDDTBXEGLPRGJ-IBGZPJMESA-N 442.350 4.638 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(c2ccccn2)CCC1 1740647956 ASSMHKLBHAQHIM-UHFFFAOYSA-N 447.945 4.717 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740677182 QZOMNOZRWROPRX-BKMJKUGQSA-N 447.558 4.775 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CC1 1740680163 SVPVDPXKZLAWES-SFHVURJKSA-N 430.980 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1C(C)C 1740765892 DPVLUQLQNTWWKG-XQFWAAQXSA-N 428.552 4.602 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1740813701 FZEZPVCKENGWSQ-UHFFFAOYSA-N 449.407 4.824 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F 1740864238 KRRKNEUIEASRHS-QGZVFWFLSA-N 441.567 4.840 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC(F)(F)CC2)cc1 1740967421 GHQYEOOLQSUUTK-UHFFFAOYSA-N 430.524 4.779 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1748703777 ZNGXGHHDJYJSAJ-HSZRJFAPSA-N 449.643 4.706 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1749091598 ADHYWGDCPFXXAR-ROUUACIJSA-N 446.418 4.836 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 1749252136 NPNLBFIUSAVZJT-QGZVFWFLSA-N 443.979 4.620 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC)[C@H](C)C1 1749364350 QRUVKUXHRKUNFN-LJQANCHMSA-N 434.588 4.733 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCc1nccnc1C)C1CC1 1749527352 APVGMLBBFHCSLU-UHFFFAOYSA-N 441.004 4.720 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCO[C@H](C)C1 1749586904 ABXXPYFNXIVFKD-RTWAWAEBSA-N 445.567 4.850 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1749627692 WCJNSLDURKDSTK-QGZVFWFLSA-N 443.567 4.915 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C2CC(C(C)(C)C)C2)C1 1749719199 PPMOFJYVGHOSJC-ACBHZAAOSA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1749751525 XMRQTMFCJXAUTB-SFHVURJKSA-N 440.642 4.662 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC2CCCC2)c1 1750813682 BAWSVVBHCRVQDI-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1751086663 FVWNJSSEXFUSEA-YJBOKZPZSA-N 441.651 4.924 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(CCC(C)C)C2CC2)c(C)o1 1751386163 DTHREBWZLYXZST-AREMUKBSSA-N 447.583 4.949 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CC)C1 1760320991 ADVHBFQYZNUABJ-BSRJHKFKSA-N 430.543 4.755 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F 1760322446 SPRNQBLTBUVYQJ-MAUKXSAKSA-N 428.886 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@H](F)C1 1760337373 HGCMRTVFPUEICV-VAMGGRTRSA-N 449.615 4.933 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760422084 AEYWIVCSRQVNIP-UHFFFAOYSA-N 445.552 4.520 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1760424362 DTFGAQRNGRTKEB-UHFFFAOYSA-N 440.592 4.580 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760431841 AQAMCZIYWUMYKZ-HXUWFJFHSA-N 446.599 4.509 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@@H]1C 1760484940 OODMVHXOVGPMCA-UUOWRZLLSA-N 440.588 4.813 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCC(C)CC1 1760501962 JHIUKTIOVSOGCD-UHFFFAOYSA-N 439.648 4.613 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)C2(CCC2)C1 1760510698 KOMQPGHEOSIIKF-SFHVURJKSA-N 429.609 4.595 30 10 IJEE COc1ccccc1Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCCC1(F)F 1768907939 BMHVZHPBDASREC-HXUWFJFHSA-N 443.542 4.833 30 10 IJEE CC[C@@H](Oc1cccc(/C=C2\SC(=Nc3ccc(C)cc3O)N(CC)C2=O)c1)C(=O)O 1772762199 CFCOUKDOPOBQGN-LCFHROCOSA-N 440.521 4.567 30 10 IJEE C=CCNC(=O)[C@@H](CCC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 1861436537 CXMAHKLWJULRJL-OAQYLSRUSA-N 432.568 4.728 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862408061 CWCNLCWLZLWISF-MZNJEOGPSA-N 448.563 4.763 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862477909 VJGMZULQDMNURT-XMMPIXPASA-N 445.563 4.787 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(Cl)cc1 1862557947 RGVXYOQZQIWHOB-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(Br)cc1 1862600227 PZZDASNSYUFPDF-KPZWWZAWSA-N 430.298 4.532 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 1862715856 SNHFPUOYRDYMPF-HSZRJFAPSA-N 433.479 4.720 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccccc2C#N)C1=O 1862953497 NNJGEENUTURGIJ-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Oc3ccccc3)cc2)=C(c2ccc(OC)cc2)C1=O 1863329006 SNHJMTBSLQSQDV-UHFFFAOYSA-N 426.472 4.866 30 10 IJEE Cc1ccc([C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 1866956107 UHKUZNLDZYQKKR-UIOOFZCWSA-N 439.559 4.973 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2ccc(OC)cc2[C@@H]1c1ccccc1 1868119353 QYTMUZBUTSATPB-MHZLTWQESA-N 429.516 4.813 30 10 IJEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1870109999 USVGXFBOYDARFG-DTQAZKPQSA-N 449.514 4.737 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1Cc1ccccc1F 1870693280 LMCQIRXLMXUVNT-UHFFFAOYSA-N 432.539 4.831 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1ccc(Cl)cc1C 1870844583 OLLMCVPIRQHXSU-UHFFFAOYSA-N 432.948 4.720 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C)c(C)c2)cc1=O 1871006329 AVZHHDCTUZJYCU-UHFFFAOYSA-N 425.532 4.813 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1ccccc1CC 1871187283 ZZPLNPBWUHXJBI-UHFFFAOYSA-N 445.563 4.789 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(C1CCC3(CC1)OCCO3)CO2 1871347894 BWJZCRFHDMRFOV-NDENLUEZSA-N 439.533 4.510 30 10 IJEE COc1ccc(OCCN2COc3c(cc4c(c3C)O/C(=C\c3cccs3)C4=O)C2)cc1 1871351733 UFRZHGHFSZKTJB-XKZIYDEJSA-N 449.528 4.912 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC(C)=O)cc4)c3C)C2=O)c1 1871382102 NFMRIJBPWIXGAS-UCQKPKSFSA-N 444.439 4.764 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4OC)cc(C)c3C2=O)cc1 1871386848 QMJWIFAGEPFVRV-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCC)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871924737 NBCNERNGBXJSLV-AUSIDOKSSA-N 444.597 4.706 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872493077 DWXNBSGGHJXWGF-JTSKRJEESA-N 432.561 4.618 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3C)cs2)c([N+](=O)[O-])cc1OC 1872768829 CXRATJDJTYKKCS-MRXNPFEDSA-N 437.477 4.842 30 10 IJEE CC(C)(C)N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872768963 GJAJZYHICGYJLO-OLZOCXBDSA-N 436.364 4.940 30 10 IJEE Cc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873294114 CNPUIJKTRMPVBI-UHFFFAOYSA-N 446.510 4.783 30 10 IJEE Fc1ccccc1CSc1nnc(C(F)(F)F)n1/N=C/c1ccc2nccnc2c1 1873503247 FADYCIPABPIHQE-NSKAYECMSA-N 432.406 4.554 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccccc1Cl)n2CC(C)C 1873577030 STRSGMCLRCPVLW-UHFFFAOYSA-N 437.975 4.849 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccc[nH]1 1874196491 MSHUYKQDLCTFDB-ZVHZXABRSA-N 425.558 4.652 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874310443 WFVXXMUESDUZNO-OEAKJJBVSA-N 437.525 4.531 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874389947 MNRFXMCNEHVWTL-FOKLQQMPSA-N 449.363 4.631 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1Cl 1874414524 WXEUWXNKQAFKIS-SSDVNMTOSA-N 449.001 4.757 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1cccc(C)c1 1874488980 UBDQFAQSLIYSCR-MFKUBSTISA-N 435.597 4.960 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874510927 BQFIJGKZPNJCTO-GCMSVZMUSA-N 441.988 4.736 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2C2CCCC2)cc(OC)c1OCc1ccccc1 1874559810 QCCNQGXITYPGCV-ZVHZXABRSA-N 438.553 4.703 30 10 IJEE COc1ccc(Cc2nnc(S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1OC 1874567889 WJRODLGVZDZYCV-PCLIKHOPSA-N 446.532 4.849 30 10 IJEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(Br)c1OCC(N)=O 1874635582 SQQYCAVHGUYWTB-VOTSOKGWSA-N 446.341 4.533 30 10 IJEE C=CCOc1ccccc1OCc1nnc2n1N(C(=O)CCCC)[C@@H](C(C)(C)C)CS2 1875081553 JODRPEUXDSUMEF-LJQANCHMSA-N 444.601 4.597 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C)c(Br)c3)ccc21 1890561338 BUZLCXNIUWHOSA-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC)c(C(F)(F)F)c3)ccc21 1890701656 SHNRMEJVGWAPLY-UHFFFAOYSA-N 448.441 4.904 30 10 IJEE O=C(CCCSc1ccc(F)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 1891148517 XOSOFFFEUSZPMC-UHFFFAOYSA-N 425.447 4.915 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@]1(O)CCc2cc(NC(=O)OC(C)(C)C)ccc21 1922058255 VLISHCQPTANRIQ-BVAGGSTKSA-N 438.568 4.528 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1 1922111697 IVHVVDKSQDSIQL-FCHUYYIVSA-N 434.646 4.728 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 1944734017 PUIVLRCMAQAFQJ-VQIMIIECSA-N 431.533 4.586 30 10 IJEE CC#CCCCC[C@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2019511052 VFXZJXPKTPLSDR-QHCPKHFHSA-N 427.633 4.847 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1C)NCCC 2159120626 JQJWBTDTTZMSPQ-PMACEKPBSA-N 437.422 4.975 30 10 IJEE Brc1ccc(N=C2N[C@@H](C3CCC3)CS2)c(I)c1 2223679415 PLQXMDXASFTEFX-GFCCVEGCSA-N 437.144 4.546 30 10 IJEE C=CC[C@@H](COc1ncc(C(F)(F)F)cc1Br)NC(=O)OC(C)(C)C 2224050134 MTOASKRVKCHNMD-NSHDSACASA-N 425.245 4.711 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2235747536 QSQYEDYLMUJTCX-NEWSRXKRSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(C[C@H](N)C#Cc1ccccc1Br)C(F)(F)F 2235750681 XTJDZXRHECPKTD-KDOFPFPSSA-N 449.311 4.611 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1 2249563421 MPIQKZUCPOYGAG-PFWHTEFJSA-N 427.545 4.886 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@@H]43)CCC2)OC1(C)C 2255797690 KDVQYOCFQMNSBJ-XSDIEEQYSA-N 425.378 4.503 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCCN)CCN(Cc2ccccc2)CC12CCC2 2263014537 BHWVBVGGQPHECO-NDEPHWFRSA-N 434.624 4.940 30 10 IJEE C=CCCC1([C@@H](N)Cc2cccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266314317 CQYRWHPQAVJRKV-INIZCTEOSA-N 427.358 4.661 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@]1(O)C#Cc1cccc(Br)c1 2296225737 YKQWKWARXRYXNR-VGSWGCGISA-N 434.374 4.637 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@H](N)C#Cc1cccc(Br)c1 2296279999 VRAFXLBYZZOEBV-DENIHFKCSA-N 435.406 4.992 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CC1(CNC(=O)OC(C)(C)C)CCCC1 2296291258 MMXHIUJUACRBDL-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CN1C(=S)N(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccccc1C#N 2297560141 RCOFUPJSPBJMOV-UHFFFAOYSA-N 425.513 4.742 30 10 IJEE CC[C@@H](Oc1ccc(C=C2SC(=Nc3ccc(C)cc3O)N(CC)C2=O)cc1)C(=O)O 2314928604 YWQACMVOPZYELC-LJQANCHMSA-N 440.521 4.567 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(C[C@H]1CCCO1)CO2 2321961826 ZBNVQZCTPMDTOD-CQSZACIVSA-N 429.875 4.735 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)COc4ccc(C)cc4)cc(C)c3C2=O)cc1 2323193878 KWYSWHNTBWOLMG-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccs2)C3=O)cc1OC 2323378617 ZDUVEKOIJYAEJH-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE COc1cc(C=Nn2c(S)nnc2C(F)(F)F)ccc1OCc1cc(C)ccc1C 2323561295 BDCSZFZPOSNVCJ-UHFFFAOYSA-N 436.459 4.672 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2326323661 USIIXWVRNPPRNI-UHFFFAOYSA-N 439.541 4.975 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OC)cc1OC 2327672087 YKNCLJKDRQZHQR-UHFFFAOYSA-N 444.944 4.688 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2327975885 PKCQXLMISXMQAE-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cc(OC)ccc1OC 2328559343 NALIXJPASDWNAH-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc(F)c2)o1 2330576887 ZNZGHTGUNYDBQK-UHFFFAOYSA-N 442.497 4.700 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 2330631928 UYTGDKULHRZTQE-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cnccn2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 2330665745 CCLITHRYUVDGGX-UHFFFAOYSA-N 425.400 4.653 30 10 IJEE COCc1nnc(SCc2cccc(F)c2)n1N=Cc1c(OC)ccc2ccccc12 2331562877 SVLWBVGFXUFREN-UHFFFAOYSA-N 436.512 4.900 30 10 IJEE N#Cc1cc(Br)cnc1OCc1cc(Br)cc(Br)c1 2337072388 HQYXFGBLIXWRKR-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575052 QZBSPNJIGROKKT-UACNQURRSA-N 433.405 4.827 30 10 IJEE C=CCCC1([C@H](O)c2cc(Br)cc(COC)c2)CN(C(=O)OC(C)(C)C)C1 2362295640 PRSMDQDBDXLHBK-GOSISDBHSA-N 440.378 4.832 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362716186 BHAGPGMDVQCAEX-UXHICEINSA-N 435.406 4.667 30 10 IJEE CN(c1cccc(Br)c1C#N)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2365585054 WDHWJZULVDTMNB-XYPWUTKMSA-N 434.378 4.793 30 10 IJEE CCOC(=O)[C@@H](Oc1ccc2c(c1)O/C(=C/c1ccccc1OC)C2=O)c1ccccc1 2401715 HCBSFPZFLZVEDZ-XXMKCSCWSA-N 430.456 4.995 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)cc2)NCc2ccc(F)cc2)n1 14156919 XETDLLUIRXXULU-UHFFFAOYSA-N 426.883 4.676 30 10 IJEE COc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)cc1 20905436 ZLSOJIGIXZXLCO-BUVRLJJBSA-N 446.536 4.533 30 10 IJEE COc1ccc(N/C(=N/C(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1OC 45939512 QBPAIEHXTQCNON-UHFFFAOYSA-N 446.551 4.794 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C\c2cccc(OC)c2OC)C1=O 103200674 QRCMXCOXMDKBPI-AQTBWJFISA-N 425.506 4.556 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3ccccc3Cl)o2)cc1 109943373 MUMNEWPBSJYARG-SFHVURJKSA-N 437.908 4.625 30 10 IJEE CSc1nnc(Cc2ccccc2)n1/N=C\c1ccc(OC(=O)c2cccs2)cc1 169916206 WKMZSEXJDYTNSC-HAHDFKILSA-N 434.546 4.754 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2O)cc1 169923781 ATYCLNDMFSYHOB-QHCPKHFHSA-N 441.439 4.930 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1OC 170091878 JLEMTWDVIXBNBS-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 170247527 OXZZYZLLMWXEOD-HSZRJFAPSA-N 433.479 4.982 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)c1 170282378 JALUGZLJHRDKMU-IBGZPJMESA-N 427.815 4.864 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccco2)cc1 170289738 RGHJLONXHLLLRZ-IBGZPJMESA-N 449.260 4.697 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@H]1c1ccco1 170297246 IGYNMJUBGQYCTF-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccco1 170297338 NWNFPTPHCDEBPC-FQEVSTJZSA-N 443.459 4.564 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2cccnc2)o1 170307521 XZUVLSPMLPOMRA-HSZRJFAPSA-N 446.503 4.796 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1ccncc1 170317319 MXXSWZNVXPFYQM-NRFANRHFSA-N 446.528 4.555 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1sccc1C 170319709 YGIWPVMNTKZVTD-IBGZPJMESA-N 427.522 4.595 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccs2)c1OC 170412133 MGRJXCLWOBEBCC-FQEVSTJZSA-N 435.501 4.544 30 10 IJEE CC(C)[C@@]1(C)CSC(=Nc2ccc(Br)c(I)c2)N1 398509287 LVWAVARQUKNIPM-CYBMUJFWSA-N 439.160 4.792 30 10 IJEE CC1(C)OB(c2ccsc2CNC(=O)c2ccc(OCc3ccccc3)cc2)OC1(C)C 404931825 DZGYGDDVXZXIQE-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(Cc1ccco1)C1CCCC1 460373581 HTQCGKLCIOFXJD-UHFFFAOYSA-N 430.512 4.712 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460544888 MRJRZVHVXRQRFM-HHHXNRCGSA-N 446.595 4.581 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCO1 461152132 LEORZFCMLLPDBP-IBGZPJMESA-N 431.565 4.926 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 473395197 MRFKMZDSWKJGIN-KDOFPFPSSA-N 447.482 4.702 30 10 IJEE N#CCSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(Br)cc1 477729298 XSDQWXHIAUAGSL-SFHVURJKSA-N 430.371 4.840 30 10 IJEE C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 479041710 FJCPNQHORCOFOO-BFUOFWGJSA-N 447.482 4.699 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)[C@H]3C[C@H]3c3ccc(OCc4ccccc4)cc3)[nH]2)c1 492053812 FMXDOSSGNDDVFL-DQEYMECFSA-N 448.526 4.947 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)c(O)c2)cc1 526605689 YXTHVPNREDIYPI-DEOSSOPVSA-N 442.471 4.815 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1OC 526609648 XIJCAELKOVSEEC-HSZRJFAPSA-N 426.472 4.941 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(CC)nnc2SCc2ccc(C)cc2)cc1OC 526804038 CIOBTDWPGHUWAF-OYKKKHCWSA-N 440.569 4.739 30 10 IJEE C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2cccc(C#N)c2)cc1 541069126 SUNZSRQHUIHZEH-CJAUYULYSA-N 439.515 4.834 30 10 IJEE N#Cc1cccc(Cc2nc(-c3ccccc3-c3ccc(CN4CCOCC4)cc3)no2)c1 547082371 COMBDSONZFMSGB-UHFFFAOYSA-N 436.515 4.698 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H](c2ccccc2)O1 549954279 BQMBYQKFWJEHEA-WZONZLPQSA-N 441.560 4.893 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 567206936 XGSGEKXLCNLBHF-JOCHJYFZSA-N 439.567 4.985 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 576195750 RKOOCCOIRYITNN-ROUUACIJSA-N 434.462 4.536 30 10 IJEE CCc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2cccc3cccnc23)cc1 586265485 AZKMDBGBBIXYDK-UHFFFAOYSA-N 441.512 4.705 30 10 IJEE Cc1csc([C@H](C)NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)n1 609018070 JAUCKVZEIVDTFO-HNNXBMFYSA-N 436.562 4.545 30 10 IJEE Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1ccc(C#N)cc1F 609229353 HMNBCWNCDNDKII-UHFFFAOYSA-N 427.888 4.903 30 10 IJEE C=C(Cl)COc1ccc([C@H](C)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 773105009 PWRHCZUVVANKSJ-IBGZPJMESA-N 449.016 4.594 30 10 IJEE C=CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 779746880 JLONOVFNFKVZBR-LJQANCHMSA-N 443.956 4.503 30 10 IJEE N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 786557349 LSRLATMCEKRGNJ-SFHVURJKSA-N 442.368 4.674 30 10 IJEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(F)cc1 792747465 KDOWMXMOFJFJLX-FPOVZHCZSA-N 437.540 4.815 30 10 IJEE C[C@@H](C(=O)O[C@H](C)c1ccc(Oc2ccc(Br)cc2)cc1)n1cnc(C#N)n1 798828574 URFBSAJQVWLVGJ-UONOGXRCSA-N 441.285 4.570 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 805782394 KLMLFZOIVRECQJ-GBXCKJPGSA-N 425.532 4.934 30 10 IJEE CCc1nc(C(C)C)ccc1COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 815174058 MEZJZJNEYLZSSW-UHFFFAOYSA-N 439.459 4.594 30 10 IJEE C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)c1c(Cl)cccc1Cl 1125596556 HELQWAVUQCWXQI-NSHDSACASA-N 442.140 4.926 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C(F)(F)F)cc1 1128970592 JPEDDPKWBJLFCG-HXUWFJFHSA-N 432.398 4.639 30 10 IJEE C#Cc1cccc(CNC(=O)c2cc(I)c(Cl)cc2Cl)c1 1129843361 IULNFLZAWWVKJA-UHFFFAOYSA-N 430.072 4.509 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1c(OCc2ccccc2)ccc2ccccc12 1134250244 ZAPRIAPYPCWAID-VWLOTQADSA-N 430.548 4.848 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)C1 1148643468 MMWIOYFKVGCLFI-KRWDZBQOSA-N 432.973 4.796 30 10 IJEE C=CCCC[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1152374291 LIEXHBUPARSPTH-RHSMWYFYSA-N 425.367 4.876 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N3CCc4sc(Br)cc4C3)c2c1 1163733209 DPRIRQPDUOEIAD-UHFFFAOYSA-N 430.327 4.510 30 10 IJEE C#CCN(C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1)[C@H]1CCCc2ccccc21 1203317346 NIKYXRLOAUMIJZ-QHCPKHFHSA-N 428.540 4.639 30 10 IJEE C#CCN(C[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCOc2ccc(Br)cc21 1204922548 AULNKDOKPRZZIM-XMSQKQJNSA-N 425.370 4.734 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(C)OCCc2ccccc21 1206203847 WGIDKXWRRTVJIW-OAQYLSRUSA-N 431.330 4.624 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 1209439881 NZLZTQUVCVEQOW-LLVKDONJSA-N 447.771 4.602 30 10 IJEE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 1214212070 CQOVZZFDKYQRCS-FUHWJXTLSA-N 436.512 4.550 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 1214911869 IPRMLNBSUDGKTN-NRFANRHFSA-N 442.563 4.970 30 10 IJEE C#CCN(CC#CC)C(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 1221765008 RNXOZHRCYJSHMS-UHFFFAOYSA-N 426.969 4.679 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1226137281 MZIBVEQTLDEWBV-UHFFFAOYSA-N 445.510 4.976 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)CC(C)(C)O2 1229369506 ANOVBNIFEOSFSY-LPHOPBHVSA-N 442.560 4.971 30 10 IJEE C#CCN(C(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C)[C@H]1CCCc2ccccc21 1230711979 DYTOFWRXOHGTCM-UIOOFZCWSA-N 426.564 4.964 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccc(Cl)cc1 1252449973 XCKNREBPHIDAFT-OALUTQOASA-N 433.733 4.560 30 10 IJEE CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nc1 1264555278 BDCIPLXYLUTLNE-UHFFFAOYSA-N 429.476 4.740 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@H]1c1cccc(F)c1 1265514730 HBLOMTOWQGWGPC-YADARESESA-N 447.441 4.787 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)C(F)(F)F)cc1 1272444474 SXVJHNHZQFEALD-DIFFPNOSSA-N 432.364 4.994 30 10 IJEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286409748 SYLUHIXUAQCYQS-DLBZAZTESA-N 425.458 4.793 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)=C(C)C1 1286561940 HNGOPXQUAOVWLL-LNRXMEIDSA-N 428.621 4.724 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1286612412 DMWAKMHAUHTREL-YUXAGFNASA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286612875 LQVJRKZKIUOSRC-QFIPXVFZSA-N 442.604 4.542 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1286614113 LFZOJLMHHXFVJD-RTBURBONSA-N 432.659 4.802 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(F)cc1 1286622246 NILTWMCACHYLGI-UHFFFAOYSA-N 438.732 4.574 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCc2cccnc2)CC1 1286638591 GJVCDKAQYVCTMN-UHFFFAOYSA-N 442.336 4.641 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1286651835 MYQNAKGADIMMTF-JLMWRMLUSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](C)C3(CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286675830 DFHVXMAAOVEDPF-CPJSRVTESA-N 430.637 4.938 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286702553 SRNRFXWTZTWLDO-IBGZPJMESA-N 445.633 4.638 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1c(C)noc1C 1286747500 NDTHBSLWASYCMB-OAQYLSRUSA-N 425.508 4.505 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCOc1ccc(C)cc1 1286748651 YRSXLSGUCUOLTF-UHFFFAOYSA-N 433.581 4.925 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2CCC[C@H]21)C(C)C 1286750608 DTIIMEJFRLNZTP-GMKZXUHWSA-N 434.632 4.726 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(=C)CC1)C(C)C 1286752095 WXKHGCQNBQYLFH-DEOSSOPVSA-N 430.600 4.672 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1c[nH]c2ccccc12 1286770104 RKRJKWGMGXUIKX-UHFFFAOYSA-N 439.361 4.740 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccnc(SC)c2)C1 1286800653 OKASUYFSEKRZKW-VXKWHMMOSA-N 449.624 4.767 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccco2)C1 1286814327 PWLSAPQKOGWTFC-SFHVURJKSA-N 430.961 4.646 30 10 IJEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@]3(C)c3ccc(C(F)(F)F)cc3)CC2)o1 1287894060 BLYLQASJADVNJN-QFIPXVFZSA-N 446.473 4.628 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCC1CCN(CC)CC1 1300641532 BXEJCALMGPOWPJ-HXUWFJFHSA-N 425.596 4.693 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1300944666 BRQXVHKDPCDVTG-NRFANRHFSA-N 433.394 4.925 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@H](C(C)C)C1 1300981322 XWGPLNXTWAMJDL-NRFANRHFSA-N 437.613 4.664 30 10 IJEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 1301066530 RIWQTSZHCGOOGV-FHWLQOOXSA-N 430.980 4.931 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC2CCN(CC)CC2)CC1 1301095735 NJFDEUFRASGMFN-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)CCC)C1)c1ccccc1 1301162826 CQCYNZLRVAFNOH-FCHUYYIVSA-N 446.599 4.518 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OC 1301359169 FLXWZPJZLHJBCS-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1CC 1301359204 HARFFKBNSZSVDO-GOSISDBHSA-N 425.577 4.823 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C 1301367706 RTCBERZMQFWQKA-WIOPSUGQSA-N 443.705 4.968 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@@H]1C 1301373531 XTCLCLAHJNMBLL-BSRJHKFKSA-N 430.980 4.801 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1 1301406854 WMYMHLLQFXRTPB-QFIPXVFZSA-N 431.540 4.604 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(C)CCO[C@H]1C1CC1 1301959120 CYXBYORXELVCQS-LNHNDHHWSA-N 431.943 4.539 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(F)(F)F)C1 1303934188 CPANJLFHRLBVNF-OAQYLSRUSA-N 445.445 4.809 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1OC 1308581150 IAJHXFFLDOJKJO-UHFFFAOYSA-N 442.987 4.750 30 10 IJEE C=CCCS(=O)(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1309312139 DOAORRCSPJLMLJ-UHFFFAOYSA-N 433.835 4.896 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F 1309489060 PRGDHFGOEWTBOB-HNNXBMFYSA-N 437.117 4.548 30 10 IJEE C=CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C1CC1 1311451454 ILBFQYUNPLUDOG-OAQYLSRUSA-N 427.639 4.929 30 10 IJEE C=CCc1cc(CNC(=O)NCc2c(Cl)cccc2OC(F)F)cc(OC)c1OC 1311751728 RPBLCQXIDXGGCV-UHFFFAOYSA-N 440.874 4.687 30 10 IJEE C=C(C)COCCNC(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1312259268 RVMHQXRRSAZXGJ-QFIPXVFZSA-N 431.374 4.799 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1313001739 MEBIDXXSIZSPJC-NDBYEHHHSA-N 434.371 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(CCOC)CCCC1 1358872747 YJUZOZJIIAHCTG-OALUTQOASA-N 428.552 4.612 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(CC1CC1)C1CCC1 1359051813 KTQISROHMCBJRP-UHFFFAOYSA-N 431.005 4.742 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)(C)CC1 1359052323 AVUJFDFQSLSQJH-UHFFFAOYSA-N 442.629 4.734 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2sccc2[C@@H]1CC 1359052646 LTOSBDGXZNOBDC-KRWDZBQOSA-N 444.029 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1ccc(OCCC)nc1 1359068421 ZSSGIKKVOLOJND-XMMPIXPASA-N 435.959 4.823 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(CCC2)C1 1359145825 DUANZSALFUHMQE-UHFFFAOYSA-N 425.733 4.980 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1359212374 JSVDXBQLZYSZIE-UHFFFAOYSA-N 435.616 4.885 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cccnc1OC1CCCC1 1359241208 IVKAXBFTSSKVOB-UHFFFAOYSA-N 439.510 4.534 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCc1ccc(O)cc1)C1CC1 1359247842 QYKYSYZSHYZRKB-UHFFFAOYSA-N 445.386 4.872 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCSC1(C)C 1359254908 HUGOIVVUSXLRSW-PMACEKPBSA-N 442.629 4.515 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359270073 AMGFVOUPDDYBFI-QGZVFWFLSA-N 436.560 4.518 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3cnc(Cl)cc3C#N)c2)cc1 1436098228 PWECSAJTIOAGIO-UHFFFAOYSA-N 433.895 4.960 30 10 IJEE C=CCn1cc(C(=O)Nc2ccc(SCc3ccccc3)c(Br)c2)nn1 1437046315 VBJSEONPUYKOPI-UHFFFAOYSA-N 429.343 4.771 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 1444503798 NQDXOVYGRUBLIQ-UHFFFAOYSA-N 434.580 4.921 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1457350388 NPMRVJOXFIOQTJ-NIYFSFCBSA-N 433.552 4.719 30 10 IJEE COc1c(C)cnc(COc2c(Br)cc(Br)cc2C#N)c1C 1459288614 CRKCTLOGSNIRJH-UHFFFAOYSA-N 426.108 4.683 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 1460796319 BTTVTFJFLLNUFV-UXHICEINSA-N 436.625 4.763 30 10 IJEE C#CCN(Cc1cnn(-c2ccccc2C)c1)[C@@H]1CCOc2ccc(Br)cc21 1461991752 ZPQUGUGMUNPMGW-JOCHJYFZSA-N 436.353 4.902 30 10 IJEE C#CCN(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)[C@@H]1CCCc2ccccc21 1463006438 FICLFTKMAJJUQL-JOCHJYFZSA-N 440.465 4.985 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1464360169 ODNYYSYJXLUKQR-IBGZPJMESA-N 430.589 4.883 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C 1464360866 SGPCPGSIEQMDGW-SFHVURJKSA-N 439.556 4.637 30 10 IJEE CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)Nc1cc(CC#N)ccn1 1467112669 FHXGGZZODPJIFQ-LJQANCHMSA-N 431.462 4.689 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1470309477 GIQUXQAFTLYXID-GMAHTHKFSA-N 439.600 4.615 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)NC1CCCCC1)C(C)C 1473008947 NAQPOPKRRFKMAL-JOCHJYFZSA-N 442.629 4.917 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 1474923184 LBTCRIXPQFXFAX-UHFFFAOYSA-N 445.949 4.565 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(Cl)cc1F 1478483106 XFBKNGKYUUIKAB-KBXCAEBGSA-N 439.840 4.750 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 1478965949 RIFHAZZWRUWARA-VQTJNVASSA-N 430.593 4.584 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@@H]1OC 1507600903 LGEGNOUQMIHSHA-NSHGMRRFSA-N 430.980 4.573 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(C(=O)N(C)C)CCCC1 1507814096 CAYGCLWCEINRIZ-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC=C(COC)CC1 1507838272 ONSJGGLKTFTNCQ-UHFFFAOYSA-N 437.371 4.628 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1507899528 KRCGXLPRSRMRPF-HXUWFJFHSA-N 439.604 4.959 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(Cn2cncn2)CC1 1507915753 YPAGAUDWIUEBGD-QHCPKHFHSA-N 447.631 4.930 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](SC)C1)c1ccccc1 1507924334 LOXXJPCXZNDTOJ-YPAWHYETSA-N 426.630 4.864 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H](O)C1 1508009387 PJHPURIWEWGUFZ-TZIWHRDSSA-N 433.581 4.622 30 10 IJEE C=CCOc1ccc(Cn2c(COCC)nnc2N2Cc3ccoc3CC(C)(C)C2)cc1 1508104488 LFJBECDYAYWRLR-UHFFFAOYSA-N 436.556 4.610 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1512805773 FSDURKVTDZCPJE-ZWKOTPCHSA-N 440.592 4.555 30 10 IJEE C=CC[C@]1(C(=O)NCCc2cc(Cl)ccc2OCC)CCCN1C(=O)OC(C)(C)C 1518662060 YJHVTTOIMODASS-HSZRJFAPSA-N 436.980 4.743 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nc(C(C)C)ncc2Br)C(F)(F)F)cc1 1521343392 BKDNCIPFOUHBAI-OAHLLOKOSA-N 427.220 4.804 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 1522393190 UGBYNJNCUOQYFR-SFHVURJKSA-N 447.478 4.523 30 10 IJEE C=C[C@@H](CC)CC(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1523059967 UHPYBTKPVLMTTP-CMHHUMAZSA-N 427.353 4.748 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cc(Cl)cc(Br)c1OC 1525466782 SUVSHNWQXLUXED-UHFFFAOYSA-N 426.694 4.937 30 10 IJEE C#C[C@H](CC)NC(=O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12 1528497498 MVTOAGPYVOQQJL-CQSZACIVSA-N 446.395 4.741 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 1530077075 BDYHCEVREJOZEO-KRWDZBQOSA-N 434.517 4.571 30 10 IJEE C#CCSCC(=O)Nc1cc(-c2ccc(Br)cc2)sc1C(=O)OCC 1531811796 RCQKUQUROLDODX-UHFFFAOYSA-N 438.368 4.659 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 1531923293 OWARKPYPRBGWMG-LPHOPBHVSA-N 433.474 4.942 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 1532727907 DSNYARVGJAVTRJ-UHFFFAOYSA-N 433.847 4.925 30 10 IJEE C=CCCC[C@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 1532877392 JYCFJNXCCQLVBA-URXFXBBRSA-N 426.988 4.970 30 10 IJEE C=CCN(C(=O)c1cc2cccc(C)c2nc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1537317639 YJKHRJQJOAMDFL-OAQYLSRUSA-N 436.939 4.999 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1538971727 FANRXWHRTADGSR-FHWLQOOXSA-N 428.024 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCN1CCC 1539031192 XOMXWKGNYZXWOQ-VXKWHMMOSA-N 437.632 4.621 30 10 IJEE O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1[S@](=O)C(F)(F)F 1539680581 FISOTENOQORBDN-NDEPHWFRSA-N 429.313 4.647 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](OCC2CC2)C1 1539785821 DEDPXMQHOWPCGH-KRWDZBQOSA-N 437.371 4.755 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1539855759 GDWMIVLSZAAYAP-DEOSSOPVSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2oncc2C1 1539902334 FBVVRLZSJRVMDZ-MRXNPFEDSA-N 425.508 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](OCc2ccccc2)C1 1539924600 VGJCLEFMIPKVGY-QHCPKHFHSA-N 431.584 4.662 30 10 IJEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1540026884 LHBVFWJUZZQCCH-CVDCTZTESA-N 433.556 4.529 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC2(CCC2)C[C@@H]1CC 1540037339 INHQSDMQRINSEW-SFHVURJKSA-N 430.543 4.899 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCCCC[C@H]21 1540042827 RWOHFVYNPRTUCG-TZIWHRDSSA-N 428.552 4.748 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@H]1c1ccccc1 1540091931 BOTPIKAHBLPMHP-BXXSPATCSA-N 438.616 4.987 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C(C)C)C1 1540125920 CRGVFGGGHXIEQD-XMMPIXPASA-N 444.627 4.962 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1540139247 BFTDQTUBCFSVHU-LEEZEASISA-N 428.552 4.809 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCOCC2(CCC2)C1)C(C)C 1540147012 IMGCOEGVZBHHRI-DEOSSOPVSA-N 449.643 4.651 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1540153935 NYHIIGUGLOOBBM-AZUAARDMSA-N 443.389 4.867 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCO[C@H]1C(C)C 1540174490 MZINWCHMAHFOTP-DHLKQENFSA-N 433.600 4.911 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1cccs1 1540857600 HHRCHFDEITZCFN-SJORKVTESA-N 431.606 4.838 30 10 IJEE CC(C)CC1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CC1 1541421070 ATTFGTIYCYTROR-UHFFFAOYSA-N 425.552 4.953 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 1543566098 YQOGJPSPCXREFM-LEWJYISDSA-N 443.975 4.826 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 1544924096 XTIUPELEWHVZBO-IBGZPJMESA-N 449.979 4.533 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCCCC2)c1 1554803473 COFWOGGCVZPZEU-HNNXBMFYSA-N 446.393 4.892 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CC[C@H](F)C1 1555555420 CJKLQYUFXDZKFZ-LNLFQRSKSA-N 445.608 4.636 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1556558461 ZLEIWSKHQWKIDT-UHFFFAOYSA-N 427.504 4.843 30 10 IJEE C#CCOCCSc1nnc(COc2ccccc2F)n1[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 1559307892 SYXAAQPVHPRFTB-CADBVGFASA-N 429.561 4.735 30 10 IJEE CCOC(=O)c1oc2ccc(S(=O)(=O)N(CC(C)C)c3ccc(C#N)cc3)cc2c1C 1561179839 CWOGZMDULZHTIC-UHFFFAOYSA-N 440.521 4.641 30 10 IJEE N#Cc1nc(NC(=O)NCC2(c3cccc(F)c3F)CCCC2)ccc1Br 1563138401 GVSDLVMAKZNQAJ-UHFFFAOYSA-N 435.272 4.627 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC(C(F)(F)F)CC1 1587835249 QRSMJDJUAZCAMF-UHFFFAOYSA-N 441.295 4.900 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCC(F)(F)CC1 1588214080 HKKXPFIXJKZTIL-UHFFFAOYSA-N 435.522 4.725 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C)o1 1589580614 OKEHOGWFPDTDMA-ZHHKINOHSA-N 442.604 4.716 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1593654963 OSGFVOGEYCPJMW-INIZCTEOSA-N 428.631 4.613 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN(C)C2CCCCC2)CC1 1594431142 XULJWSUJYDKUDY-UHFFFAOYSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1594535007 PDOKQSQHOZSSJX-TZIWHRDSSA-N 440.563 4.970 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1594536319 WGHDEBAKEMHDMD-LVXARBLLSA-N 448.615 4.686 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCOc2ccc(F)c(Cl)c2)C1 1595721328 DTIXEHKHPOESLG-GOSISDBHSA-N 434.943 4.589 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(Br)c1 1597317122 BPWIELXDXRWPGK-AWEZNQCLSA-N 431.396 4.719 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1612756050 HDJWGFWGDPDFET-NEWSRXKRSA-N 447.505 4.944 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1O[C@H](C)COC 1616553286 QHPSDMMELQOUND-CZUORRHYSA-N 447.359 4.728 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)CCCN3CCCC3)c2C#N)C1 1617546466 GVFKZIMMMJYTPJ-GOSISDBHSA-N 430.662 4.517 30 10 IJEE C#CCN1CCCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1 1618029981 OYARWFFCLOVGDV-UHFFFAOYSA-N 430.573 4.775 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1CCCc2ccccc21 1623063980 WHGIXNKIDPDKDP-SFHVURJKSA-N 435.421 4.906 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCCOCC1 1624042334 OLZOAPHUDJHTRY-DFBJGRDBSA-N 448.563 4.545 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1625685295 DYPYPMFJMDZWPI-HXUWFJFHSA-N 435.524 4.818 30 10 IJEE C=CCONC(=O)c1csc([C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)n1 1627707283 IVZLMYXOHPLMGO-OAHLLOKOSA-N 449.532 4.590 30 10 IJEE C#CCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CCC2 1633930550 CUYUGXJEGJQTIM-MNDPQUGUSA-N 426.516 4.834 30 10 IJEE CCOC(=O)[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cccc(C)c1C 1634641693 IAPJKJVJOMYRLN-XMMPIXPASA-N 427.504 4.953 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2)C(=O)OC 1637697839 YCRMZUAWFJTINL-DKXPKDADSA-N 444.918 4.670 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 1639662152 GGRLRRUZVPLMCP-MTQWCTHYSA-N 434.964 4.544 30 10 IJEE C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)cc1 1641144281 AIDZAYGKIZBGTH-ZEQRLZLVSA-N 448.563 4.590 30 10 IJEE Cc1ccc(CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C2CC2)cc1C 1641846272 FEBKAZBTAHTIRV-UHFFFAOYSA-N 430.552 4.838 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2cc(F)c(Br)cc2C1 1660324546 YCUYBJBTVHMOIE-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE C#C[C@H]1CC[C@H](NCc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)CC1 1660637376 CBVPFGILMFKBPR-KOMQPUFPSA-N 435.797 4.636 30 10 IJEE C=CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1Oc1cccc(Br)c1 1661874691 ZUJCTQKMWZQQFW-AWEZNQCLSA-N 425.710 4.953 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 1663462824 COIUMYPHZYZGOX-OAHLLOKOSA-N 426.794 4.628 30 10 IJEE COc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1-c1ccccc1 1667452763 CZVLRXNCFHUIBQ-DNQXCXABSA-N 432.545 4.823 30 10 IJEE N#Cc1ccc(C2=CCN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 1668386686 GCRLFVZWMIZYSH-UHFFFAOYSA-N 441.965 4.813 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1669277024 SVWVTWQZFFJLKE-AZUAARDMSA-N 437.506 4.993 30 10 IJEE N#Cc1cc(NC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(F)cc1F 1672603374 DWEHABFLZSAOBO-OAQYLSRUSA-N 435.409 4.888 30 10 IJEE C#C[C@H](NC(=O)N1CCn2c(cc3c(Cl)cccc32)C1)c1ccc(Br)cc1 1674026007 QCZCRUPGALCCJW-IBGZPJMESA-N 442.744 4.957 30 10 IJEE C=CC(C)(C)CCNC(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 1674718549 UMJQDAWTXDAGGO-QGZVFWFLSA-N 439.394 4.751 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc(Br)cc1 1674753235 FUBJCGFOPMPARW-SWLSCSKDSA-N 447.283 4.929 30 10 IJEE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1677757748 AWZBSFAPDGDNKA-UHFFFAOYSA-N 444.576 4.846 30 10 IJEE C[C@H](C#N)CN(C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)C1CC1 1680841433 ABDQKPGXSYAIHF-CQSZACIVSA-N 441.329 4.857 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 1682070968 BLMGVBCPJUMDMV-LSDHHAIUSA-N 427.998 4.793 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 1682990762 QGPFTBHTUVOTOU-KRWDZBQOSA-N 447.377 4.872 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 1684483050 DURSDLVZOICGGW-QGUKFAFCSA-N 433.596 4.661 30 10 IJEE C=CC[C@H]1N(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)CCCC1(C)C 1686067455 VOMSZWIQEVQQGL-GOSISDBHSA-N 433.394 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1C(F)(F)C12CCC2 1689828191 LVVGJBAPDHZTSZ-SQGPQFPESA-N 444.526 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)C(C)C 1689828559 PIZKEUCDHLXRJO-BSRJHKFKSA-N 432.996 4.553 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccco1)N(CC)CC 1689844916 LEQWBABKJAZECN-AUSIDOKSSA-N 444.583 4.571 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccoc1 1690220790 APVWDMBRBMYUNT-UHFFFAOYSA-N 439.260 4.685 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](CC)C1 1690242653 AVGFXTMWNIXCTA-QKLQHJQFSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1csc([C@H](C)OC)n1 1690259233 BOLQPKLIQWPLJR-INIZCTEOSA-N 427.574 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1690271428 OTXJLPNSYFAAHE-HXUWFJFHSA-N 442.629 4.824 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3ccnc3C)c(F)c2)CC1 1690412035 BGSNAUKYRJXBFX-UHFFFAOYSA-N 436.579 4.951 30 10 IJEE C=CCCOCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(C#N)CC1 1690497605 VFIYXSCYYLRLAS-UHFFFAOYSA-N 448.596 4.710 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOC 1690558194 HSJCXYQYJXIETF-SFHVURJKSA-N 447.608 4.842 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1690598808 AIBWWDVGUDFHGF-URXFXBBRSA-N 449.624 4.980 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690636184 LCJNNMYISLBGMK-NRFANRHFSA-N 449.393 4.544 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1690649573 BEBSFFWLZVRNAF-LEWJYISDSA-N 438.616 4.984 30 10 IJEE C=CCSCCn1c(N2CC[C@H]3CCN(Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C 1690750416 IYGHDDHXSOPXNI-NHCUHLMSSA-N 425.646 4.553 30 10 IJEE C=CCSCCn1c(N2CCO[C@H](CCC)C2)nnc1C1(c2ccccc2)CCC1 1690752809 RXUKEULXRZJYLQ-OAQYLSRUSA-N 426.630 4.673 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@](C)(C#N)C1 1705654429 IARRDBDGLGNNNE-QHCPKHFHSA-N 439.654 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(C)CC1 1705673370 XMZPXTGFQLZNCT-KBMIEXCESA-N 441.620 4.575 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1705748059 ASCHMRAXRXPYNS-CHWSQXEVSA-N 425.733 4.834 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CCOCC2)CC1 1705785852 ZLYZNMVDTPMPBH-WOJBJXKFSA-N 448.677 4.511 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)N(CC)CC)C1CC1 1705850140 IMFQEZUTYDTSFS-MRXNPFEDSA-N 432.410 4.593 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C(C)C 1706447696 DAZUNRMFAVVNFH-RCZVLFRGSA-N 439.604 4.541 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1722320928 OZTMQDMCHGCCFI-FQEVSTJZSA-N 440.498 4.798 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722329007 AXARLEJIQJWNHI-YADHBBJMSA-N 437.632 4.702 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1nc(C)c(C)s1 1722405146 KSKZEODUBRPTML-HNNXBMFYSA-N 439.654 4.907 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1C(C)C 1722453907 GGZWJTMEQLHJPF-CQSZACIVSA-N 439.448 4.760 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CCC(F)(F)F)CC1CC1 1722506948 NQWZDVIWXDQRSP-QUCCMNQESA-N 449.521 4.799 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722526258 TVBIKKIVFCQBSG-HXUWFJFHSA-N 427.662 4.987 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ncc(CC)s2)CC1 1722559867 KLSRSFSMBKABPW-INIZCTEOSA-N 427.549 4.781 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2cccnc2)CC1 1722576596 QJCNOQHMYVCOOP-UHFFFAOYSA-N 444.402 4.809 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccn(C)n1 1722594969 HUZAHNSTEBNEPO-UHFFFAOYSA-N 429.572 4.766 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C 1722597412 MCOWBMAENKTEQM-QZTJIDSGSA-N 428.577 4.952 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@@H](C)C2)C1 1722716942 AGDHVOOPMZCGKQ-SXWKCWPCSA-N 438.616 4.839 30 10 IJEE C=CCSCCn1c(N2CCC[C@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1722739071 DYXORGIRMVJVBO-FQEVSTJZSA-N 426.630 4.530 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1723419870 GEGWGKSTQXGAQY-JOCHJYFZSA-N 432.572 4.729 30 10 IJEE CC[C@@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1)OC 1727251435 FGNKJSWLGIAASC-FPOVZHCZSA-N 425.577 4.590 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCc2csc(CC)n2)cc1 1727374865 ICQJVULPWASQCZ-UHFFFAOYSA-N 434.613 4.899 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCOCCCC)CC1 1740827662 FSOGEORURHERPM-UHFFFAOYSA-N 449.393 4.593 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccoc2CC(C)(C)C1 1740842456 AKTBCMFKOOQIKN-UHFFFAOYSA-N 441.620 4.981 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740883786 FZAOMYYKWWZPNV-NHCUHLMSSA-N 439.648 4.754 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1Cc1occc1C 1740916834 YQBVTBDFSHAIES-UHFFFAOYSA-N 444.564 4.648 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCc1cc(C)cc(C)c1 1740920117 DJIWHKNGPFFUFX-UHFFFAOYSA-N 449.624 4.628 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1741000244 NQLBEYWEIFBGTO-FQEVSTJZSA-N 439.585 4.551 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCc1cc(C(F)(F)F)ccn1 1748659195 DMULKHCGPOSJCK-CQSZACIVSA-N 433.865 4.713 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](OCCC)CC1 1748730629 PBGIDHMEVDSHCL-YPAWHYETSA-N 430.637 4.786 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)CN1CCCCC1 1748918168 WIUIFYPFIKEOJN-QGZVFWFLSA-N 434.415 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCS[C@H](C(C)C)C1 1749123565 GABGGOSJMBQZDX-HJNYFJLDSA-N 442.629 4.513 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCC[C@H]2C)CC1 1749347754 GSROASLJMCDGAF-JOCHJYFZSA-N 437.632 4.567 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749400755 MGQNVMDWDIRUNM-AXHZCLLHSA-N 445.007 4.651 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H]1C(=C)C 1749546855 FXHASZNPMVIFAN-QPPBQGQZSA-N 447.558 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(OC(F)F)c(OCC)c1 1760119089 SZRGECIIXGOBPU-INIZCTEOSA-N 432.515 4.517 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1760132862 UTSXWDSPVLXHTB-QGZVFWFLSA-N 446.477 4.707 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SC)c1 1760227670 KCBFGRWHBJIRPH-INIZCTEOSA-N 441.988 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1760316363 QNSHIYCNCAGDJJ-KPLVRAHFSA-N 439.560 4.850 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1nccs1 1760320309 WXWTYDPMTIOZPT-AUUYWEPGSA-N 447.967 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1760322158 OMMREPBTLUYUHT-KKSFZXQISA-N 436.522 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@@H](C)C1 1760330884 FTUXVIRUFUCIQK-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1760348074 PVFVZLHXKIIZSM-UHFFFAOYSA-N 449.393 4.590 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)Cc1cc(Cl)ccn1 1760348250 BZNISMXKIFXBLA-UHFFFAOYSA-N 429.977 4.840 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1760364042 DFMNYWNXFIBNOS-FQEVSTJZSA-N 437.613 4.600 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1760366546 CHTBVHFUEDHLLT-LEWJYISDSA-N 444.023 4.852 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccsc2)CC1 1760392436 PYEYFIUDWRWWIZ-UHFFFAOYSA-N 445.386 4.886 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](OCCOC)C1 1760434315 WPJNCYPCVONLIE-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1Cc1csc([C@H](C)OC)n1 1760482174 RSGLFRPPRRZFHB-SFHVURJKSA-N 448.596 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1C[C@]1(OC)CCOC1 1760485858 SVGPWBZAQUDLRQ-JOCHJYFZSA-N 444.988 4.658 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C(C)C)N1CCCC1 1760492755 FVAMWFPZNNWSSC-XMMPIXPASA-N 432.616 4.736 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1cccs1 1760499090 NSAAVZXOPONINT-VWLOTQADSA-N 445.592 4.544 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)c1nc(C)cs1 1760499267 SWNUAHJIKZYTEW-NQIIRXRSSA-N 437.613 4.586 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1760565223 QZGBMEXLCJBNKV-SFTDATJTSA-N 427.618 4.520 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1Cc1nnc(C(C)(C)C)s1 1767061605 AWZWCAVVQZUVIZ-UHFFFAOYSA-N 435.601 4.641 30 10 IJEE COc1ccc(/C=C2/SC(=Nc3ccccn3)N(c3ccccc3)C2=O)c(OC)c1OC 1772731865 RGHWSRJCMOXYCY-UASJYCSOSA-N 447.516 4.916 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 1772790497 PGVXCCJQZOZFDR-LJQANCHMSA-N 425.412 4.553 30 10 IJEE N#Cc1cccc(C(=O)Oc2cccc3c(NC(=O)c4ccc5c(c4)OCO5)cccc23)c1 1858921333 ONBDWAFZOZWGCS-UHFFFAOYSA-N 436.423 4.912 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(SCc2ccc(F)cc2)ns1 1859482935 QIIIBYRPEVHKQH-UHFFFAOYSA-N 431.514 4.552 30 10 IJEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(I)cc1C(=O)O 1859826676 ZLRMTAMBXDVZJQ-UHFFFAOYSA-N 441.228 4.667 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 1861668143 FIEDITYSCORJLA-FXAWDEMLSA-N 443.053 4.822 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1862216470 NWOLIBFSGANAQS-OFVILXPXSA-N 434.580 4.505 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCO)cc1 1862380593 HCWCDEXSEHRBPU-LJQANCHMSA-N 434.319 4.687 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Br)cc1 1862409878 VVOSZPVZMDEFJA-IBGZPJMESA-N 444.325 4.754 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862433354 ZYANUSYFBDDRNB-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 1862448580 QIIWHBBZVMUWEQ-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC)cc1OC 1862513180 QPCNNZWUQMVDDV-JOCHJYFZSA-N 441.499 4.920 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1Cl 1862617846 KKYUJEVLMZKBSD-VLIAUNLRSA-N 427.928 4.597 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1Cl 1862618267 RYXJFMSVGYBLRH-OAQYLSRUSA-N 440.971 4.777 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862641887 CWWFCECVTDRQLK-SZNDQCEHSA-N 427.472 4.610 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1ccccc1 1862736616 KTHLAXZWMMUNPB-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862743943 HWBYHKJXTZSMHI-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(N4CCCC4)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897180 AIZAPUWNNLLVLZ-UHFFFAOYSA-N 448.526 4.864 30 10 IJEE CCCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2F)C1=O 1862924041 YJJNNOJMINDXJD-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccccc2OC)C1=O 1863769365 GZAOMGMLVCIVKG-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1ccccc1C#N 1866659820 LAPKQHPNPUGJQD-OAQYLSRUSA-N 448.498 4.517 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NC(=O)c1ccc(-c2ccccc2)cc1 1870139173 CDLJKHPWWHIERX-UHFFFAOYSA-N 434.503 4.658 30 10 IJEE C=CCOc1cn(Cc2ccccc2F)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870245788 DXNQWKPFHSLIKQ-UHFFFAOYSA-N 449.551 4.953 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870404075 BDEFLCZIVZIYRS-HOTGVXAUSA-N 437.367 4.529 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2ccc(C)cc2)cc1=O 1870809957 DVNNLHHVGOEGLW-UHFFFAOYSA-N 434.536 4.594 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871455995 HMGZGXWMGSROJG-UUYOSTAYSA-N 430.416 4.537 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)C(C)C)S(=O)(=O)CCCC 1872172860 IJXSQTRPWFZRIP-JOCHJYFZSA-N 438.634 4.837 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872542046 MDPLNVJLYYFZMU-HNNXBMFYSA-N 441.380 4.814 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)N3CCc4ccccc4C3)cc2[nH]1 1872801011 OVCNTSIZDKWWNK-UHFFFAOYSA-N 439.515 4.905 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1=O 1873012805 BUAYXNNZIXVLBY-QGZVFWFLSA-N 429.992 4.915 30 10 IJEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCCOC)C1=O 1873043627 DRYADGWPUVRMLO-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c(OCC)c1 1874331400 LPYUMPCCFPHGDU-PCLIKHOPSA-N 436.581 4.945 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1 1874430660 SDPICKLKSZUGOJ-WPWMEQJKSA-N 441.560 4.544 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1O 1874451380 YFUVNGBCHWVVOJ-DOUQRPAJSA-N 444.944 4.672 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccnc2)c1C 1874452228 KYPRQUIASGHDCL-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccc(F)cc1)Nc1ccccc1F 1874452440 VTZDXPWGVASLHH-DHRITJCHSA-N 441.507 4.827 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cccc(F)c1 1874475015 FNTZJTBDOLGRGD-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1/N=C/c1c(Cl)cccc1Cl 1874480873 MVFBDKUDWGDXBT-SRZZPIQSSA-N 429.373 4.855 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874530020 NAGBYLRQDOHWJK-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c(OC)c1 1874598710 ADPUBMVYHQYECH-AWNIVKPZSA-N 435.451 4.757 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 1875146696 GLFKGKIDNIPLIF-WLRTZDKTSA-N 430.456 4.972 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccc(OC)cc3)ncnc2n1CCCC 1875212977 IUPPHSYEKIMHOS-UHFFFAOYSA-N 447.583 4.709 30 10 IJEE C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc4ncc(-c5cccnc5)cc4cc3C2)c1 1890760283 KSNLJPJSWKXXFG-OSPHWJPCSA-N 433.515 4.606 30 10 IJEE N#Cc1ccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc1 1894483049 PAOALKMRFQNQQT-DNQXCXABSA-N 438.483 4.607 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1944735236 XMQCBFBSTUJIRY-FUHWJXTLSA-N 431.533 4.586 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)CNC(=O)OC(C)(C)C 1948379273 DELHYFCDPWDXBC-SFHVURJKSA-N 433.549 4.880 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1949109447 HVXOJVUMSQFTDO-IEGUWTFLSA-N 431.508 4.859 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(F)F)c(OC)c2)cc1CSCC(=O)O 2042447084 ZFLUZVGSZLALOP-UHFFFAOYSA-N 438.448 4.519 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(F)c2)C(C)C)c(I)c1/C=N/O 2079087061 FAQNONAKLZGVGW-FCASDWRQSA-N 429.277 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1c1c(C(F)(F)F)nn2c(Cl)c(C#N)cnc12 2081492922 AAXIXABNIABFOF-NSHDSACASA-N 429.830 4.735 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)n1 2116150246 NSWXTXCMVZSSIJ-FGZHOGPDSA-N 436.405 4.509 30 10 IJEE CC(C)(C)OC(=O)N1CCCCN(c2ccc(C#N)c(Br)c2)CC(F)(F)C1 2174768202 AVVHSCCSIIHUGI-UHFFFAOYSA-N 444.320 4.793 30 10 IJEE CCCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1C#N 2174814825 MEDDEDXLKHVBBV-KRWDZBQOSA-N 437.382 4.722 30 10 IJEE C[C@H]1[C@H](C(F)(F)F)N(c2ccc(C#N)cc2Br)CCN1C(=O)OC(C)(C)C 2174816367 DBBTYFPPQWDWHS-XHDPSFHLSA-N 448.283 4.697 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cc(Cl)cc(Br)c2)CC1 2201801330 FITQRNQVFIWFGJ-UHFFFAOYSA-N 440.574 4.896 30 10 IJEE Cc1ccc(C#CC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223326688 POIAJBWCTYFCAL-MHZLTWQESA-N 433.548 4.760 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235719756 BHHUDVFBFXTOSR-HKUYNNGSSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(N)(C#Cc3ccccc3Br)CC2)C1 2235731322 LSNGLUGKBWYHFE-UHFFFAOYSA-N 433.390 4.699 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)C#Cc2ccccc2Br)C12CCC2 2235732133 YBMDWCVNRGWKOS-LPHOPBHVSA-N 432.358 4.843 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2255531388 CRDZYQBLNNBXBA-FQEVSTJZSA-N 426.410 4.514 30 10 IJEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2255542622 VDVHVBQTAHLACM-INIZCTEOSA-N 429.316 4.705 30 10 IJEE CN(Cc1ccc(I)cc1)c1cccc(Br)c1C#N 2265598294 IQKIVVYIMITNQX-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CC1(C)OB([C@H]2C[C@@H](C(=O)NCCc3ccc(OCc4ccccc4)cc3)C2)OC1(C)C 2267121814 CPQZJUJFIKKQFF-SZPZYZBQSA-N 435.373 4.797 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267243686 ZEMDXYYCIHOOKJ-ZBYYUNFXSA-N 438.421 4.657 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267580818 KNNAPUSGJYGYAA-FHWLQOOXSA-N 442.365 4.619 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2296265990 DFXNKUBSWYWTHW-MISYRCLQSA-N 433.390 4.638 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC1(C)CN(C(=O)OC(C)(C)C)C1 2296271931 HEZZNPLQDPDKHP-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CC(C)[C@@](NC(=O)OC(C)(C)C)([C@@H](N)C#Cc1cccc(Br)c1)C(F)(F)F 2296274527 UUTRQRCWZVNJKR-MAUKXSAKSA-N 449.311 4.610 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 2296289693 URSYKHRUPSPZEH-UXHICEINSA-N 429.358 4.655 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CC1(CNC(=O)OC(C)(C)C)CCC1 2296295968 IZNGMLLRLQTWBP-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296310590 LJXOLONCJDYFCD-FFGOWVMKSA-N 433.390 4.567 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCC(=O)c3ccccc3)ccc2C1=O 2296868005 NLZIKYUCWJRXFU-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE COc1ccccc1N=C1Sc2nc3cc4c(cc3cc2CN1C[C@H]1CCCO1)OCO4 2297706575 RHIQQMFTEZXEHX-QGZVFWFLSA-N 449.532 4.747 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 2305197827 RRNOJGKMGPXROK-HOSCZWGSSA-N 428.573 4.696 30 10 IJEE COC(=O)c1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 2314557584 QCOQKJNPJUIFEK-UHFFFAOYSA-N 449.444 4.533 30 10 IJEE CCOC(=O)c1sc(NC(=O)C=Cc2ccc(OC)c(Br)c2)c(C#N)c1C 2314731954 KCOXWWGHGUELOB-UHFFFAOYSA-N 449.326 4.528 30 10 IJEE CCCCOc1c(Br)cc(C=Nn2c(C)nnc2SCC)cc1OC 2321154290 KHYIJAOFJHNAFP-UHFFFAOYSA-N 427.368 4.531 30 10 IJEE Cc1c(OC(=O)c2ccncc2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2322828395 DOEVYSPTQOFKPE-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccc(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)cc1OC 2323069261 JEYQBXMIBPACPR-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c1 2323177827 VFMZPTLNSSSQDV-IBGZPJMESA-N 445.515 4.856 30 10 IJEE Oc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1Br 2326566263 VOFCKCQFNKHSFL-UHFFFAOYSA-N 441.713 4.713 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(O)c(OCC)c1 2328962645 LPYUMPCCFPHGDU-UHFFFAOYSA-N 436.581 4.945 30 10 IJEE Cc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccn2C)cc1 2329151470 CWLSKYBWBQMWQW-UHFFFAOYSA-N 431.565 4.721 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1cccs1)Nc1ccccc1F 2330534548 NOOXFTVIIJLCCC-UHFFFAOYSA-N 443.554 4.820 30 10 IJEE COCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2330597054 VFCROUHCYPZYCN-UHFFFAOYSA-N 432.472 4.819 30 10 IJEE C=CCn1cc(OCCCCCC)c(=O)cc1CN1CCN(CC=Cc2ccccc2)CC1 2330680223 GABAXZNVIFCPMB-UHFFFAOYSA-N 449.639 4.824 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)CC(C)C 2331071098 ZSRVTRYBKHPVRM-UHFFFAOYSA-N 427.453 4.850 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(F)cc1F 2331675094 XQNJETXTMZMEBQ-UHFFFAOYSA-N 443.523 4.855 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc2ccccc12 2331693815 IQZRQRMTGRPTKQ-UHFFFAOYSA-N 436.566 4.624 30 10 IJEE CCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OCC 2331894696 BKMSROCAFNQFJF-UHFFFAOYSA-N 428.481 4.713 30 10 IJEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339536387 QIDGELOSBOQWDG-LJQANCHMSA-N 443.397 4.562 30 10 IJEE N#Cc1cccc([C@H](c2nnnn2C2CCCC2)N2CCC(Cc3ccccc3)CC2)c1 4968306 BBXLVVXSPQHWIP-RUZDIDTESA-N 426.568 4.704 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(C)cccc12 12240326 UEGRUFVSDAKLHX-UHFFFAOYSA-N 446.854 4.723 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C(\C)c3ccccn3)n2)cc1 20835747 NEUDOONJLACYJP-SXJXFNOXSA-N 437.573 4.670 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1OC 21249032 AWEDNADKTCFYHO-AZUAARDMSA-N 449.547 4.885 30 10 IJEE C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1nnc(-c2ccccc2)o1 26205321 WQRCFNVEGRQXBW-CQSZACIVSA-N 442.504 4.691 30 10 IJEE N#C[C@@H](C(=O)c1ccc(I)cc1)c1ccccc1Br 55333620 KRZBCVSALPOHMC-CYBMUJFWSA-N 426.051 4.544 30 10 IJEE CCC1(CC)CC(C#N)(S(=O)(=O)c2cc(Br)ccc2Br)C1 96870074 ZNAUOFYNHVEKEC-UHFFFAOYSA-N 435.181 4.848 30 10 IJEE O=C(Oc1ccc(/C=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1)c1ccccc1 169895038 UAMHITRTAJDEFS-YSMPRRRNSA-N 444.878 4.551 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccccn2)c1 169937510 IJIYEOAFPJKRSK-QHCPKHFHSA-N 440.455 4.615 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccs2)cc1 169988462 OHPXWWYRGMWKPZ-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccs2)c1 169988943 CXVXQJOAXBXYGU-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccc(N(C)C)cc1 170129411 LPUWIFRUEWDNGL-HXUWFJFHSA-N 442.943 4.711 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccccn3)oc12 170169980 FRQQINONHYCFJE-OAQYLSRUSA-N 444.418 4.758 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170278791 AABYOGNWMMGASM-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C)o1 170310251 ZMIAPFOXLJXADB-HSZRJFAPSA-N 432.520 4.661 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c(C)c1 170311102 ZVQOFLUOIFMQPS-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C[C@@H]1CCCO1 170315966 HFSZICJZLXXXPR-AZUAARDMSA-N 441.549 4.601 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170338137 PZJFFLNOBIALPL-QFIPXVFZSA-N 434.442 4.814 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(CC(=O)OC(C)C)cc2)[C@@H]1c1cccs1 170476336 ZDSPUIFXJKLWTD-JOCHJYFZSA-N 441.549 4.757 30 10 IJEE COc1ccc(-c2nc(/N=C(O)\C=C/c3ccc(NS(C)(=O)=O)cc3)sc2C)cc1 207220056 UVCYNDSDVKOCAD-MLPAPPSSSA-N 443.550 4.800 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)nnc1-c1ccc(Cl)cc1 470618625 KZSCEFZBLWYSHO-IUODEOHRSA-N 444.910 4.676 30 10 IJEE COC[C@H]1CC(=O)C=C2C(Cl)=C[C@H]3[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]4(OC(C)=O)C(C)=O)[C@]21C 504807678 GXMMOJSSTKHQSR-UVCLSMAZSA-N 448.987 4.624 30 10 IJEE O=C(c1ccc(OCC(F)(F)F)nc1)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 512398926 RQNXSUHEFVLAEP-KRWDZBQOSA-N 436.327 4.752 30 10 IJEE C[C@H]1CCC[C@@](C#N)(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)C1 532496853 WUZHPWRBWTWZIV-KSFYIVLOSA-N 427.574 4.724 30 10 IJEE Cc1sc2nc(CCC(=O)NCc3ccc(-c4ccccc4C#N)cc3)nc(O)c2c1C 536885727 NCWMDKLKBQQENW-UHFFFAOYSA-N 442.544 4.801 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(c2nccs2)CC1 549657895 NLLFMYBKEXIFTO-UHFFFAOYSA-N 441.626 4.996 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 549690839 KXRUZOMVFWXPQO-CUVVAGTFSA-N 432.568 4.837 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 568536992 ZNJYNOPUUQWDJW-KRWDZBQOSA-N 428.886 4.646 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 577920428 QBYPZYYHTBIMSR-DLBZAZTESA-N 449.628 4.628 30 10 IJEE C#CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC(C)C)cc1 586256333 HEDNDZSVHUSWOR-UHFFFAOYSA-N 435.545 4.881 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C 737016548 BAAJAWJWVNBKAB-UHFFFAOYSA-N 437.540 4.777 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1C 742214699 IVUUAZBSKMTVRN-OAQYLSRUSA-N 437.540 4.816 30 10 IJEE C[C@H](NCc1cc(Cl)ccc1OCC#N)c1nc(-c2ccc(Br)cc2)no1 755157405 MUAMFZRMHKGAJI-LBPRGKRZSA-N 447.720 4.906 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C)c1ccc(F)cc1 794897192 VLBBNMMJEGPVCG-LJQANCHMSA-N 440.931 4.506 30 10 IJEE Cc1ccc(NC(=S)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)cc1F 1084371280 IKLHNLHWBKCPII-QZDPMWFCSA-N 444.535 4.885 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)c1ccc(SCC(=O)O)c(F)c1 1087407628 ZEQQFHRHMQRNBE-HJWRWDBZSA-N 428.460 4.840 30 10 IJEE C#CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CCCCC1 1124183060 XACUOPYQLNODRD-NVJIOZQYSA-N 442.625 4.702 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Oc1ccc(C(=O)N2CCc3sccc3C2)cc1 1126126945 XCXPNQKNBJOIHQ-UHFFFAOYSA-N 449.528 4.739 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1scc(Br)c1Br 1126160158 OFKRPVBMKLAKFD-UHFFFAOYSA-N 431.149 4.768 30 10 IJEE Cc1ccc(Cl)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nc12 1127521268 CCAHUKNQFXACEC-AWEZNQCLSA-N 439.302 4.713 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 1141889810 DDUOQJCGCPQCSP-SFHVURJKSA-N 441.494 4.753 30 10 IJEE C=CCOc1ccc(C(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1OC 1159490386 OYNOWQMIQQGSHU-VWLOTQADSA-N 444.572 4.656 30 10 IJEE C=CC1(CC(=O)Nc2c(-c3ccccc3)nc3n2CCCC3)CN(C(=O)OC(C)(C)C)C1 1167239461 ZTYAPIIRBMUCNI-UHFFFAOYSA-N 436.556 4.638 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](c2ccccc2F)C1 1206193907 AGXZRYFNKXXYMD-IBGZPJMESA-N 435.293 4.758 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C(C)C)c1ccc(Br)cc1 1211981885 NFEFCQLYAZKJSA-GOSISDBHSA-N 436.371 4.542 30 10 IJEE C#CCN(C(=O)Nc1ccnc(-c2ccccc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1215999653 MDIBFFDKKQSPAX-UHFFFAOYSA-N 434.540 4.615 30 10 IJEE C=C(C)CN1CCC(NC(=O)NC2(c3ccc(Br)cc3)CCCCC2)CC1 1221800518 UMYPLQDZLMIGHX-UHFFFAOYSA-N 434.422 4.948 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1ccc(Cl)cc1F 1223444737 PZVIQIYMEULTHX-UXHICEINSA-N 433.980 4.987 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)NCc2ccc(Sc3ccccc3)cc2)CC1 1224521143 CFXPYPJJWYPXEX-UHFFFAOYSA-N 434.590 4.803 30 10 IJEE C#CCN(C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCCc2ccccc21 1226632342 LTGKOVWRZGQXRZ-NRFANRHFSA-N 434.927 4.655 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1226661190 RCBDKWIHUGBQGF-UFYCRDLUSA-N 435.515 4.765 30 10 IJEE C=CCCCCCCNC(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1228041465 XNUJWHVKPDTHHB-NHCUHLMSSA-N 437.625 4.617 30 10 IJEE C=CCC[C@H](NC(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1230693159 COBNJXSORRTACP-REWPJTCUSA-N 445.485 4.551 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)c1ccccn1)c1ccc(Br)cc1 1252458813 MSGHLOFCTGCZNU-IFMALSPDSA-N 448.364 4.844 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1252870082 SACLHPBNNLSHJZ-CIAFKFPVSA-N 443.563 4.811 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286317559 NMPGJYZJXKANMA-SFHVURJKSA-N 441.004 4.946 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C1CCCCC1)N(C)C 1286453759 WTMRIKWQDXGIOW-AUSIDOKSSA-N 441.595 4.527 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286497665 VSUUJZXBDDWZAO-DHIUTWEWSA-N 448.640 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)COC 1286517568 IYFYYLBBBUEZBD-JOCHJYFZSA-N 445.405 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCC1(COC)CCCC1 1286525136 SKKKCZWUSLUIBG-XMMPIXPASA-N 442.554 4.736 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1286558897 RUGHWIAOBBPYRY-SQJMNOBHSA-N 437.632 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCSC1 1286566481 NBKGZBDQWQXXPD-JOCHJYFZSA-N 432.659 4.546 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCC[C@@H]2CC)CC1 1286665502 IRHSTQDIOKETIR-YTFSRNRJSA-N 443.680 4.864 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC(F)(F)C1 1286719264 ZMGPBIADJXBSLV-CYBMUJFWSA-N 441.320 4.774 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](OC)C(C)C)C1CC1 1286733562 FFQLEAFWUSQVNM-GOSISDBHSA-N 437.357 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1ccccc1Cl)N(C)C 1286752733 GGLVEOVJSPXIDY-FQEVSTJZSA-N 425.964 4.981 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCCC1(C)C 1286763088 BZJQKMQBGVQWEI-SANMLTNESA-N 445.567 4.586 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C/C=C/CC 1286763422 IWTYSQOJCHASHK-AATRIKPKSA-N 430.350 4.830 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2nccs2)CC1 1286827382 MDFPZBWTVYQDDC-UHFFFAOYSA-N 436.610 4.576 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](Cc3nc(C)cs3)C2)s1 1289215746 MARVSTCXFZIECM-CQSZACIVSA-N 428.048 4.695 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1293346674 CORRFDZGIFCGJE-IEBWSBKVSA-N 437.979 4.666 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 1294985543 SXXWVLQHRSLOPG-QAPCUYQASA-N 446.523 4.611 30 10 IJEE C#CCCCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1294994045 RUUFYAGOFXGYCE-UHFFFAOYSA-N 440.609 4.935 30 10 IJEE C#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CCC2 1298689575 JLFPMTROAPXUSZ-LRXXLLMYSA-N 430.935 4.879 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C 1300377201 SBEWQWKHKCUREK-PMACEKPBSA-N 429.609 4.778 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CCCCC1 1300547766 CMVYZGPGIQLKRG-UHFFFAOYSA-N 431.367 4.817 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC[C@@H](C)C1 1300734541 WSZBCMZJTMEINB-UXHICEINSA-N 442.629 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccoc1C 1300897886 VSJXUOMONULPAR-CVDCTZTESA-N 440.519 4.515 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1301026849 BFYQVZMSCDNGGT-UHFFFAOYSA-N 428.323 4.745 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1301028891 DFMFXLZHINBJOV-LAUBAEHRSA-N 432.996 4.984 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1301151064 IMBBTKOMZIGBNR-FXAWDEMLSA-N 448.970 4.755 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1301212406 VRVVUHVQECZILM-OALUTQOASA-N 427.568 4.572 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H]1CCCCO1)C1CC1 1301320812 OEMBONZVYWXDLZ-KRWDZBQOSA-N 449.368 4.961 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCCC1CCOCC1 1301339239 JXERHABVMHRSFK-DEOSSOPVSA-N 449.599 4.791 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)C1 1303304194 DQVKUJOOCBUXJK-JOCHJYFZSA-N 434.632 4.737 30 10 IJEE N#Cc1c(NC(=O)CCN[C@@H](CC(F)(F)F)c2ccc(F)cc2)sc2c1CCC2 1307622149 BXSZOWHBYHJDCI-INIZCTEOSA-N 425.451 4.859 30 10 IJEE C=CCC1(NC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)CCOCC1 1310084583 KWJHQDKXHWABDO-UHFFFAOYSA-N 436.375 4.743 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 1310353357 BDYZRSZTYRLFIN-MOPGFXCFSA-N 431.330 4.883 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)CCOc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCO1 1312541592 JQMIXFLISNPQJM-IAGOWNOFSA-N 433.763 4.628 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@H](COC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1312936245 HJEHKUUDZZTACB-RTBURBONSA-N 435.749 4.806 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1 1349285923 MJFQETWPJOKOGB-WMZHIEFXSA-N 426.582 4.796 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2scnc2C2CCCC2)c(C(=O)OCC)c1C 1349733416 GVBSINBXXJMDNN-UHFFFAOYSA-N 448.566 4.942 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 1350625377 GVXFWCVPYICWOD-UHFFFAOYSA-N 447.969 4.522 30 10 IJEE C[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H](C)N1C(=O)OC(C)(C)C 1353555426 CHLKFYPZUAAILX-RTBURBONSA-N 449.551 4.607 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC2CC2)CC1 1358907477 QMXWEBJTSKWUCD-UHFFFAOYSA-N 432.399 4.587 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1358942777 JQAJLBLBTYUPJC-UHFFFAOYSA-N 439.604 4.660 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1359050458 QSWCOXHFQJXFEE-KRWDZBQOSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](OC)[C@H](C)CC 1359069680 UGNZAWUKBMZPSL-WSUBETFTSA-N 433.556 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CCOCC1 1359073950 KIVWWOYRTZBQDW-JOCHJYFZSA-N 449.382 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)CC[C@H]1C 1359096198 YBFKYBIGACCKAQ-LVBDUCALSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccnc(SCC)c1 1359114895 CQZKCBLCWSEGLD-UHFFFAOYSA-N 428.631 4.592 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccccc1OC 1359118284 ZCRWGBLLAFXYBW-SFHVURJKSA-N 442.361 4.962 30 10 IJEE C=C(C)Cn1c(N(CCC)Cc2ccc(F)cc2C)nnc1[C@]1(OC(C)C)CCOC1 1359124821 FTTXSNKTETYQAE-DEOSSOPVSA-N 430.568 4.759 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1359183692 RFMLDTQSKSZIEU-KRWDZBQOSA-N 448.546 4.791 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)OC(C)(C)C1 1359184570 SNJLQTRFQYFULF-CQSZACIVSA-N 436.398 4.642 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359217790 MWXSUXIEKGVWAT-HXUWFJFHSA-N 439.604 4.589 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1359252302 MTPGDEYPZISGGB-GOSISDBHSA-N 443.586 4.812 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1359265338 DELCWXAXJBRJOH-HBMCJLEFSA-N 433.710 4.896 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)[C@H](C)CC)C1 1359316664 TWMQSQBZRALXKJ-SNOBZRMMSA-N 440.632 4.821 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1435512106 DTOKVGHMEWSKPZ-WIYYLYMNSA-N 430.335 4.514 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3c(C)cccc32)cc1 1435661329 AQFHOSUYVWMIIG-UHFFFAOYSA-N 434.536 4.795 30 10 IJEE C=CCN(C(=O)c1ccc(-c2cccc(C)c2)n1C)[C@@H](Cc1ccccc1)C(=O)OCC 1435899049 CBENFPNDSRHGAQ-VWLOTQADSA-N 430.548 4.803 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)c1ccccc1 1439952725 UPOSHDGYWSVMOF-CCLHPLFOSA-N 447.398 4.826 30 10 IJEE C=CCC1(C(=O)NCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)CCCCC1 1456407894 BMDDKGFJDVHHDO-UHFFFAOYSA-N 442.581 4.639 30 10 IJEE C#CCN(Cc1cc(C(=O)OC)sc1C)[C@H]1CCOc2ccc(Br)cc21 1459518540 VSWKFHCOIVFPRJ-KRWDZBQOSA-N 434.355 4.565 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)C1=O 1465009032 WMXXQHHUHLCWMV-HXUWFJFHSA-N 443.931 4.782 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 1469653302 HQDNGBTVEOEWIO-UHFFFAOYSA-N 427.932 4.990 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCc1noc(-c2cccc(Br)c2)n1 1470666034 VBFBOJRZPGVVAD-UHFFFAOYSA-N 433.350 4.777 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]([C@@H]1CCOC1)C(F)(F)F 1472934916 QXJKKAORQHAVHJ-WBMJQRKESA-N 433.883 4.756 30 10 IJEE N#Cc1ccccc1-c1ccc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 1473218148 HCHZGXOFMZGXQI-UHFFFAOYSA-N 427.523 4.641 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1)C1CCOCC1 1475891889 BYJCDTJMQNDUAP-OAQYLSRUSA-N 443.341 4.578 30 10 IJEE C#C[C@H](NC(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)cc1F 1478900373 LFEXXWWFALIXSB-REWPJTCUSA-N 427.951 4.850 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCC(F)(F)F 1495651399 FXXXIZFGUUKPEB-GOSISDBHSA-N 448.537 4.718 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1507557993 VBWGXBLYASHLQT-CPJSRVTESA-N 435.572 4.750 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC2(CCCCC2)O1 1507666743 KPTDGDYLCZQTKS-HXUWFJFHSA-N 436.987 4.943 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1507762593 WCVBPVNFIFKFEZ-VVZHRXSXSA-N 431.584 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)N1CCCCC1 1507769450 HEZMDIJBJKXKHQ-HHHXNRCGSA-N 449.643 4.731 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1507779707 FYLSFFRMARFPPP-GOSISDBHSA-N 445.361 4.623 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OCC)C1 1507779730 GKCQXLDIRTYGNI-CQSZACIVSA-N 443.748 4.652 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1507804760 HTWTWCXXUPEQGY-APDHKMKFSA-N 438.616 4.896 30 10 IJEE C=C(Cn1c(N2CC[C@@H](C)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507850248 DJTHPNXMGQNAFU-RLWLMLJZSA-N 438.616 4.905 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CC(C)(C)OC)CC1 1507896707 JMEXVKQMTZNTIF-UHFFFAOYSA-N 425.396 4.597 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2Br)CC1 1507904726 SMQSSWVJJWCPQH-LJQANCHMSA-N 431.378 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507912694 XRNPYPQAYSNPSU-GOSISDBHSA-N 429.996 4.505 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1507912991 SLTQKNOWDADFDI-UHFFFAOYSA-N 435.616 4.695 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(F)(F)CC1 1507952722 XRKCDBDHNJCPBI-UHFFFAOYSA-N 441.320 4.821 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1cc(C)cc(OC)c1 1508032703 GXTSFKXJTRVAQZ-HSZRJFAPSA-N 436.556 4.713 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)Cc1cc(Cl)ccn1 1508051374 ARBWUINFJSPAAO-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1ccnc(OC2CCCCC2)c1 1508551592 BKWFUCWXCSUZSK-UHFFFAOYSA-N 436.604 4.761 30 10 IJEE CN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1517208835 HGUXQXFDNKUOQG-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccccc1 1521281392 PIZVOPSCNDVRHZ-BKMJKUGQSA-N 431.536 4.990 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 1521544378 BIFARNDXSBYYNR-IBGZPJMESA-N 434.565 4.576 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1)c1nc(-c2ccccc2)cs1 1522119054 JTCWHRFRQNCRER-IBGZPJMESA-N 447.560 4.781 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Br)c(C#N)n3)c(C)c2c1 1526374601 HIWFSPISILNGHW-UHFFFAOYSA-N 426.270 4.544 30 10 IJEE C=CCC1(C(=O)Nc2ncc(Br)c(C)c2I)CCCC1 1527319475 GKEXTMUEVIWWQP-UHFFFAOYSA-N 449.130 4.832 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c21 1528066167 NOXVMDDLJDNLHO-QGZVFWFLSA-N 430.430 4.801 30 10 IJEE C=C(Cl)C[C@H](NC(=O)COc1ccc(Cl)cc1C1CCCCC1)C(=O)OCC 1535345330 WCDSXSJCLUYBOQ-SFHVURJKSA-N 428.356 4.957 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 1537096372 JLDJGEXZMIZWBL-PKOBYXMFSA-N 432.486 4.911 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2F)cc1 1537782313 HSFUKDSQDCFYJN-UHFFFAOYSA-N 429.455 4.721 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCc1csc(C(C)C)n1 1539031866 QVZMPJPTBHSLFE-GOSISDBHSA-N 437.613 4.700 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](CN(CC)CC)C1 1539050079 YBKUWUNGFMGMLP-QFIPXVFZSA-N 444.627 4.773 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1539058603 GBOODAUHQOZESF-OALUTQOASA-N 442.629 4.875 30 10 IJEE Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)COc2cccc(Br)c2C#N)cc1 1539161844 BWMXETSVEWUZEM-PXNSSMCTSA-N 427.342 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1539641396 MBPFUSNBDYIONB-IOGOZDDNSA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC(C)CC1 1539677788 IBMWCQILYZJPLR-FGZHOGPDSA-N 431.669 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(N(C)C)CCSC1 1539678341 PZWIXLXFKUBPIG-HSZRJFAPSA-N 445.702 4.719 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC1CC1 1539728101 CYNXMWUGMBTCTC-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCSC2(CCCCC2)C1 1539729962 VHHWBZQGYYUURZ-UHFFFAOYSA-N 442.629 4.803 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1csc(CC)n1 1539734658 BAUMEXVLOWWVKD-UHFFFAOYSA-N 431.993 4.847 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1539842481 LBTSSOVOZPSMFT-UHFFFAOYSA-N 431.462 4.557 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)CC1 1539909681 OZIOKVLDJCDLAJ-UHFFFAOYSA-N 439.648 4.613 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC2CCCCC2)CC1 1539923876 IXBVXAOIVFJASL-UHFFFAOYSA-N 436.648 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1539924049 MFRSCAWSBDNEDN-UHFFFAOYSA-N 431.625 4.669 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1540101598 IBAYLAJNCJKMBD-UHFFFAOYSA-N 440.882 4.672 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(C)CCCC1 1540194380 LVLRRQSQRAECDK-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)CC[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540922606 SWCXXDXCXGAQJC-HCXYKTFWSA-N 449.665 4.593 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@@H](C)C2)c1 1543739061 SGMRBINOTXFXAN-MSOLQXFVSA-N 447.000 4.887 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cn2c(C(F)(F)F)nc3ccccc32)C(F)(F)F)cc1 1544661400 JNQAZMGPCBTURC-KRWDZBQOSA-N 426.316 4.883 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)CCS1 1545058566 GDOSTLWBEFGGFW-SFHVURJKSA-N 425.602 4.641 30 10 IJEE C=CCn1c(SCCCNC(=O)C2CCCC2)nc2sc3c(c2c1=O)CCCCC3 1559310241 WGZGESJUQASEON-UHFFFAOYSA-N 445.654 4.702 30 10 IJEE CCC[C@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CCN1Cc1ccccc1 1559676444 IECZJEHKEUBFQM-OZXSUGGESA-N 432.612 4.617 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@H](C)CCC[C@H]2C)c1 1562126296 WZQXHCIASLHIMO-QZTJIDSGSA-N 449.551 4.757 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)C[C@@H](C)O2)[C@@H]1CCOc2ccc(Br)cc21 1563317988 BXBVUKDHKFENPC-AUUYWEPGSA-N 441.325 4.763 30 10 IJEE C#C[C@H](NC(=O)C1(c2cc(Br)ccc2OC)CC1)c1ccc(Cl)cc1F 1583585623 YLPNDTROEYPWOC-KRWDZBQOSA-N 436.708 4.773 30 10 IJEE COC1(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)CCN(C(=O)OC(C)(C)C)CC1 1584028415 AMZHKTZYUBICMB-CABCVRRESA-N 447.601 4.660 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nnc1-c1ccco1 1584495563 AVHYBFHJTSHRRZ-QGZVFWFLSA-N 436.581 4.963 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@](CC)(C(=O)OC)c1ccccc1 1584888263 UPDXRHBKUFSGOR-QFIPXVFZSA-N 435.442 4.521 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCn1ccnc1C 1587592592 DVKVAGSFOCXWLE-KRWDZBQOSA-N 448.571 4.866 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1587793740 SDOBLGWZBDGSAX-SFHVURJKSA-N 432.037 4.558 30 10 IJEE CC[C@H](C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2)c1cccc(C(F)(F)F)c1 1588069817 GKQHCCJJCPMFMW-HNNXBMFYSA-N 435.471 4.675 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1Cc1sccc1Br 1588094330 ZTSQODVOJAZLPI-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)Cc1cccs1 1588265898 JVKULFBSQKRMDD-ZWKOTPCHSA-N 426.561 4.957 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)CCc1cccs1 1589530961 ZXXRJPWUNKPCLM-TYPHKJRUSA-N 430.618 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccccc2C)C1 1589547874 WQMMAQAVGQBYGY-SFLYRZDNSA-N 438.616 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1589614765 FXFSOBOLJYTQBU-QGZVFWFLSA-N 431.581 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccnc(SC)c1 1589687441 FXDSELNDXNVNLY-UHFFFAOYSA-N 427.549 4.564 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccncc2Cl)CC1 1594241218 JMPNHVPIEJSIEM-UHFFFAOYSA-N 429.902 4.646 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1594455343 OYZBLXHPOUAOIO-IBGZPJMESA-N 441.595 4.886 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1594552120 HTNOSPJXLPNGGF-VWLOTQADSA-N 444.627 4.544 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1 1595110416 ATZOXHOFUMVBII-UHFFFAOYSA-N 436.936 4.756 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCO[C@H]1CCCC[C@H]1C 1595133943 PDGGGJOIEYBACP-LSWJPFSZSA-N 442.579 4.709 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC=C(Br)C1 1595442570 UCHSJZVXHLFVLN-UHFFFAOYSA-N 431.378 4.830 30 10 IJEE CCOc1ccccc1Oc1ccccc1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 1611701900 HAZKSFSALYQBSU-UHFFFAOYSA-N 425.448 4.787 30 10 IJEE Cc1csc(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)n1 1612371390 HJGNSACOMCHTJK-GOSISDBHSA-N 436.585 4.588 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H](C)C2)c1 1616456299 GFYGHTMKKXAVJX-DLBZAZTESA-N 432.973 4.640 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1 1620188472 FOFXTTMRPQRBEA-UHFFFAOYSA-N 427.618 4.885 30 10 IJEE C=CCc1cc(CNC(=O)c2c[nH]c3cccc(Br)c23)cc(OC)c1OC 1627088188 LKIZDNCNANWRPI-UHFFFAOYSA-N 429.314 4.606 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2CC(C)(C)C2)ccc1Cl 1630023618 XRARUEZRVPELTI-UHFFFAOYSA-N 432.973 4.640 30 10 IJEE C#CC[C@@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1ccccc1 1633353142 YICBAIBKKIWILP-WXFUMESZSA-N 447.579 4.843 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 1633470956 KRWFWPIHEBBKEA-FXAWDEMLSA-N 427.511 4.513 30 10 IJEE Cc1c(C#N)c(NC(=O)CSc2ncc(C(C)(C)C)[nH]2)n(-c2ccc(F)cc2)c1C 1641339802 AYKRBIOUPWWMKF-UHFFFAOYSA-N 425.533 4.856 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Nc2ncnc3scc(-c4cccs4)c23)C1 1642550577 ANYPBOZPDICVCM-JSGCOSHPSA-N 427.555 4.591 30 10 IJEE C#CCN(C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1645136285 SNGVMGHLEOARGH-VWLOTQADSA-N 432.564 4.810 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1ccc(CC(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973323 JJXHVDVCUWFSOF-FQEVSTJZSA-N 426.601 4.850 30 10 IJEE C=CC[C@@H]1CCCN(Cc2cc(I)c(Br)cc2F)C1 1652792542 XRSIARGEQLEFPU-LLVKDONJSA-N 438.122 4.981 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 1653110032 JHQQPVYQUOLLOZ-ZDUSSCGKSA-N 445.372 4.621 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1cnc2c(Br)csc2c1 1655704242 XQQMPCZGSGNCHW-UHFFFAOYSA-N 428.304 4.694 30 10 IJEE C=CCOc1c(Cl)cc(CNCCc2nc(-c3cccc(Cl)c3)no2)cc1OC 1656513068 AKGYJUBYDYTBPM-UHFFFAOYSA-N 434.323 4.949 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(NC(=O)OC)c(C)c2)c1 1659979630 DFOHISBLTKDCIF-UHFFFAOYSA-N 440.546 4.612 30 10 IJEE Cc1cccc(-c2cccc(CNS(=O)(=O)c3cccc(Br)c3C#N)c2)c1 1661874929 BOHBVPHIUFAWLN-UHFFFAOYSA-N 441.350 4.775 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(Br)c(F)c1 1666025539 MPAJMGOUIGWTFW-UHFFFAOYSA-N 438.771 4.821 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)Nc2ccc(F)cc2C#N)C1 1667628130 BUBHFTYVEABOPX-JXFKEZNVSA-N 430.524 4.731 30 10 IJEE CC(=O)c1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 1667688125 GGDCXQJHHKGIML-VXGBXAGGSA-N 430.295 4.524 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(-c3ccc(C)cc3)c2)cc1 1667956884 SSFIAWONTCNRLB-UHFFFAOYSA-N 449.576 4.790 30 10 IJEE COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1671685838 FQVJSEXAZGCRHD-HNNXBMFYSA-N 440.569 4.808 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)sc1Cl 1671770741 KCDKXKHYYAXBFZ-AWEZNQCLSA-N 444.803 4.866 30 10 IJEE COc1ccc(-c2cc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccc2OC)cc1 1673110933 CLJPYMIHJJHTHF-UHFFFAOYSA-N 442.519 4.597 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CSc4ccc(Br)cc43)cc21 1675095683 MJOHTILFARKPQW-MRXNPFEDSA-N 429.343 4.953 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc(Br)cc1Cl)C(C)C 1675964445 PWPCNZRQFBFIDP-GOSISDBHSA-N 428.802 4.600 30 10 IJEE Cc1nc(NC(=O)N(C[C@@H](C)C#N)C2CC2)sc1Cc1cccc(Br)c1 1677552441 DKYIKWIMVRRSEI-LBPRGKRZSA-N 433.375 4.961 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1 1680581667 WAVPWUKNMJUBCG-NRFANRHFSA-N 443.588 4.505 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1nc2c(s1)COCC2)c1ccc(C(F)(F)F)cc1 1680633585 QADCAGIQEHUCTE-OAHLLOKOSA-N 425.476 4.741 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(C(F)(F)F)cc1 1680855923 RGBMJEJMQXHXAC-CEXWTWQISA-N 436.478 4.666 30 10 IJEE C=CCCC1(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)CCCC1 1682692391 VBBUPCVWIUBVCT-IAGOWNOFSA-N 447.542 4.858 30 10 IJEE C#C[C@H](NC(=O)N1CCC(Oc2ccc(C)cc2)CC1)c1ccc(Br)cc1 1683681127 LFEQNZDXOTZJOR-NRFANRHFSA-N 427.342 4.685 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1689954012 IHUHEDUYNUQSFF-ROUUACIJSA-N 431.987 4.565 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1690024206 WNUFSZHHFQAFIE-NHCUHLMSSA-N 428.502 4.820 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C#N)CC1 1690157432 GUZOVRNDTYGNPR-UHFFFAOYSA-N 442.013 4.920 30 10 IJEE C#CCSCCn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1c(C)cc(Cl)cc1C 1690186450 QKZGTTDLOBUGLZ-INIZCTEOSA-N 444.992 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CCOCC(=C)C 1690198723 ZZPQIPWNNNILCH-AREMUKBSSA-N 446.551 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C)[C@H]1C 1690239348 VCSLJTWFNWHJCZ-MRSOFBGISA-N 428.552 4.773 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC(OC(C)C)CC1 1690247834 HBVYTSWQKUIYQL-RDGATRHJSA-N 438.616 4.552 30 10 IJEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1690290582 QAJSXXBJAAKGFN-QGZVFWFLSA-N 435.601 4.617 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 1690344735 YOULEUZOJVXGDX-QZTJIDSGSA-N 438.016 4.627 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1690410863 ZYLWJYBTMHUXSE-KNQAVFIVSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1690436146 LHMHFOFCPCNRDG-DEOSSOPVSA-N 429.008 4.670 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCn2ccnc21 1690446717 FKOMBHHJEMLKRA-JOCHJYFZSA-N 429.572 4.773 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CC)CCOCC1 1690520249 ORXOGMXLDHJPCV-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)c1cccs1)C1CC1 1690539878 PLSGMECFHAZJJH-OAQYLSRUSA-N 432.952 4.862 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1690688414 UZMNSDUDGPCRKJ-XQBPLPMBSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2[C@H]2C[C@@H]2C)C1 1690690298 VYIWRFXTWCOXHC-QEORTHHSSA-N 437.769 4.723 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC(Cl)=C(Cl)C1 1690749584 IUVNBKJWBLEYAP-UHFFFAOYSA-N 439.412 4.984 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)C12CCC2 1696189679 GKZDUBNKLVGJBW-FGZHOGPDSA-N 437.588 4.559 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCc1cccc(C)n1 1705476578 BMTBELVPZVICJJ-IRLDBZIGSA-N 431.584 4.829 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1oc(CCC)nc1C 1705605695 BEWWDOGVISJBEG-UHFFFAOYSA-N 428.540 4.558 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCCC2(C)C)CC1 1705633067 IMRPYXXBQUCBAP-GOTSBHOMSA-N 449.643 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(Cl)c(OC)c1 1705676075 LLEUJVDGNPHPAY-JOCHJYFZSA-N 426.973 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccco1 1705697826 OIJZLOOFYVXVJW-SPEDKVCISA-N 440.519 4.768 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(C)CC1 1705703341 MQTKACJLJHNJJZ-YLJYHZDGSA-N 445.405 4.925 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705745688 GGRGDLWUWJNXBL-KRWDZBQOSA-N 448.905 4.546 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCSC2)CC1 1705779088 UTRQEROFLJJZPV-SFHVURJKSA-N 428.602 4.508 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1705791288 RVURNSGEEARXGP-UHFFFAOYSA-N 449.643 4.989 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)OC 1705871165 ZXQRTADWOFCIJK-CYBMUJFWSA-N 425.758 4.574 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1CCc1ccc(Br)s1 1705875498 VJWZBOXVZMKVDV-UHFFFAOYSA-N 444.402 4.509 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705882371 VEJKLAQTFWIKNB-NZQKXSOJSA-N 438.572 4.781 30 10 IJEE CC[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)OC 1708772356 DOBHNNYHRSSPJZ-VQIMIIECSA-N 431.968 4.627 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](C(C)C)C1 1722326277 FGTTXCQVXRQKNY-FQEVSTJZSA-N 435.597 4.652 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(CC)CCC1 1722386324 UMPWVMAWPMSBLZ-UHFFFAOYSA-N 431.367 4.817 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCCc1nc2c(s1)CCCC2 1722415355 CTCRRHSNYUKPGL-UHFFFAOYSA-N 449.624 4.593 30 10 IJEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1722454230 AWAOKOOKHASZJS-UHFFFAOYSA-N 433.625 4.517 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCc1ccc(OC(F)(F)F)cc1 1722469399 BHZUJCIRTYPLQC-JOCHJYFZSA-N 444.457 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC1(CCOCC)CCCC1 1722471054 PLKGPCRKHICMTP-RUZDIDTESA-N 436.600 4.933 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1722577741 PETDEFOWRICTJP-KRWDZBQOSA-N 438.469 4.781 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1722584218 BUDRGGYELAPOII-XLIONFOSSA-N 430.618 4.576 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN(C)CC(F)(F)F 1722634197 AHXXFJRDZPVWQB-OAHLLOKOSA-N 441.567 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1722670703 VJLKBWGEHXURSI-UHFFFAOYSA-N 442.611 4.727 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1 1722675112 JIPJLCIBJGOMRI-UHFFFAOYSA-N 444.583 4.519 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(OCc2ccccc2)CC1 1722739980 ZLPBESMPNNLOHN-UHFFFAOYSA-N 428.646 4.972 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1722742500 VZJHTHWYJHJCOM-NRFANRHFSA-N 439.654 4.931 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccs1 1740537778 YWJPGMGUEQYADA-CYBMUJFWSA-N 432.391 4.533 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCSc1nccs1 1740558314 RVXBSWUZWDJWCQ-GOSISDBHSA-N 441.626 4.571 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)[C@H](C)C1CCC1 1740589637 DNCQCQXANUDZJN-LJQANCHMSA-N 443.636 4.821 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)CCSCC 1740746888 RMHNLUIIXYKGEM-CQSZACIVSA-N 429.453 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1oc(CC)nc1C 1740766277 FJBKHMRTYCDMHH-QGZVFWFLSA-N 427.524 4.867 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSC(CC)(CC)C1 1740778417 CDYVKWHSQLHRHW-UHFFFAOYSA-N 446.617 4.659 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1740790229 WKOFQBALUFDQAK-NRFANRHFSA-N 434.371 4.975 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCCC)CC1 1740790304 GFYDTDYSZKKGDM-IBGZPJMESA-N 432.996 4.977 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCCN2CCCCC2)CC1 1740830007 ROENCASNNNQERW-UHFFFAOYSA-N 441.645 4.611 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[C@@H](C)C2)CC1 1740835531 GJTMOBCHMRKYGE-WBVHZDCISA-N 432.410 4.885 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)c2ccc(C)cc2)CC1 1740836308 NVTPPOPNEGLGFD-HFZDXXHNSA-N 438.616 4.833 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1CCCCO1)C1CC1 1740905952 ARIWYNQIVHWHQR-QFIPXVFZSA-N 437.588 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCc1nc(C)c(C)s1 1740922015 QPKYQUSAIJBFOH-UHFFFAOYSA-N 436.610 4.910 30 10 IJEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CCO1 1744242438 CDSNRMGRSZAZMD-SIKLNZKXSA-N 429.515 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1nc(C(C)C)cs1 1748777671 VYDQJSYEXYCVDR-UHFFFAOYSA-N 447.564 4.815 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc(C2CC2)cs1 1748868096 REYKHZQSRIXHEZ-NRFANRHFSA-N 429.593 4.665 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(C)CCCS1 1749056713 QGBIDJPCKHSHNO-YADHBBJMSA-N 432.540 4.824 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC=C(C)CC1 1749122716 ZPEZGHPVNGPQSZ-MAUKXSAKSA-N 449.418 4.907 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@](C)(O)c2cccs2)CC1 1749292988 ZXBUTHDBMCDBPX-SBUREZEXSA-N 442.560 4.683 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCS[C@H](C)[C@@H]1C 1749375588 DTQATQNPBLQYIE-ZWKOTPCHSA-N 430.618 4.798 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1749390812 KSCHPQGOGCUMHT-IBGZPJMESA-N 430.618 4.577 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749447619 IZSQDRJSOVEOQL-RHSMWYFYSA-N 428.886 4.826 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCOCC(C)C 1749471592 RDWQHLOLOWYNOM-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN1CCCC1 1749549142 QSGJNHVCKGOIMZ-SFHVURJKSA-N 425.602 4.833 30 10 IJEE C=CCn1c(COc2ccc(OC)cc2)nnc1N(C)Cc1ccc(Br)s1 1749642421 DYYHJKDOKIJDKA-UHFFFAOYSA-N 449.374 4.512 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1760106734 NJWYCUKQEYPQQX-SJORKVTESA-N 431.987 4.706 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC12CCC(CC1)C2 1760122217 HVWHZSUPYRXCJY-CSZIGFGKSA-N 443.389 4.658 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](c1cccs1)N(C)C 1760166936 WBMLCCFEVKAVFJ-KRWDZBQOSA-N 434.396 4.686 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCS1 1760291456 PLIVMXQIKPFZFK-VGOFRKELSA-N 431.005 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1760295275 BMBRTEGKMJIFNU-BPUDTRNYSA-N 425.646 4.613 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(OC)nc2)CC1 1760396338 ASIVRIAVHCTNKP-FQEVSTJZSA-N 447.583 4.889 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC[C@H]2CCO[C@H](C)C2)CC1 1760406160 UYPQAWUUZDQSKV-QUCCMNQESA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760409014 WSOKQPSFWLBCJM-GOSISDBHSA-N 439.995 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760413894 XVKWZRVOWRMCGQ-MHECFPHRSA-N 445.007 4.509 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@](C)(OC)C1CC1 1760479581 UETRYVGRUQYAOO-VWLOTQADSA-N 431.540 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1nccn1C(F)F 1760487095 JFKWHOBHNRQVDD-UHFFFAOYSA-N 446.552 4.824 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1760496728 DPQGSDUKIMALGM-CTNGQTDRSA-N 443.636 4.835 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760688192 CLAZTULCXOBULN-ZSXDVEMLSA-N 445.995 4.871 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC(C)CC2)C1 1762492606 AEEHFBHHPAIBHH-OAQYLSRUSA-N 434.632 4.954 30 10 IJEE CSc1ccc(/C=C/C(=O)C(=O)Nc2ccc(I)cc2C)cc1 1860726088 QAVMPRLPTXMBFQ-BJMVGYQFSA-N 437.302 4.543 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(N(C)C)cc1 1862469615 RMRGGEVRPXSVQG-LJQANCHMSA-N 443.341 4.502 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 1862510301 AHIRLNZCSJNHHW-QKKBWIMNSA-N 427.472 4.528 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862540816 WWQSWHWRJUBDKQ-IBGZPJMESA-N 429.900 4.603 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1Cl 1862611458 LVDDINAFZPOFSF-IBGZPJMESA-N 448.302 4.751 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC)cc1 1862642447 FBUOAGFEUCJDJP-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862683085 WCVVZHRRFQAQDO-NRFANRHFSA-N 439.483 4.771 30 10 IJEE Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1 1862944853 JDPJJOIOXPQGPQ-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCOC(C)C)C1=O 1863667866 PGPBERPHVOYDGC-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccc(Cl)cc1 1864103224 MVNCMLADPNXQGV-IBGZPJMESA-N 448.954 4.610 30 10 IJEE Cc1ccc(OCCCC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)cc1 1870105758 HMJQYKKQHSODFO-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN(CC)CCO 1870625772 RHUFLOVLAOKUBW-UHFFFAOYSA-N 432.580 4.741 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(CCc1ccccc1)CO2 1871348699 HYGDIVBVBDNEFC-QRVIBDJDSA-N 442.471 4.914 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)c(OC)c1 1871363376 QAMQHAPNKPWZIJ-APSNUPSMSA-N 443.666 4.596 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872246349 GSPMYPCSBLNIII-UWJYYQICSA-N 434.989 4.960 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872371900 LSFWTDMGPBMMER-QAPCUYQASA-N 434.524 4.677 30 10 IJEE Cc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(Cc2ccccc2Cl)C1=O 1873296730 KLWLNHUKAHNUSB-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE Cc1c(CCC(=O)Nc2cccc(Cl)c2Cl)c(=O)n2c([nH]c3ccccc32)c1C#N 1873944583 WWKFUWRQQVRNKV-UHFFFAOYSA-N 439.302 4.839 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1cccc(F)c1 1874202312 VPONZDMRLMRGQK-PCLIKHOPSA-N 440.544 4.770 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1O 1874214534 RBILJIUUOYDOGT-HZHRSRAPSA-N 428.945 4.809 30 10 IJEE CCc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SCCO)cc1 1874233789 BIFQGLWJDIKZQS-NLRVBDNBSA-N 430.577 4.746 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)cc1 1874305807 PKFVWXGCJGABEE-JVWAILMASA-N 447.539 4.781 30 10 IJEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874331548 RRPJGWCSPLTAHU-OEAKJJBVSA-N 439.541 4.678 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(F)cc2)o1 1874438900 ZBTCPCGBCBPXTG-FSJBWODESA-N 430.505 4.560 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)cc2)c1 1874451772 OJGACJYNDHGLDC-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE CCCCc1nnc(SCCO)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874480192 MHAXWIIIWDAIAM-XIEYBQDHSA-N 437.613 4.614 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)cc1 1874516813 KQRCOWJNKPJWSP-PCLIKHOPSA-N 449.580 4.947 30 10 IJEE CC(C)COC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Cl 1874620537 GMEIYCMRKJXRKK-ZZXKWVIFSA-N 430.884 4.585 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1874709905 OVVTXBMMDOBEAL-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)cc1 1875179124 UQBSVJXDLVDHNR-OVCLIPMQSA-N 432.472 4.757 30 10 IJEE CCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC 1875193822 BXJSZJNVNGHEAT-CSKARUKUSA-N 448.899 4.976 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1cc(Br)ccc1C#N)Cc1ccccc1 1885609857 FPOWTCYSMUQJGP-UHFFFAOYSA-N 444.329 4.697 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(C)cc3Br)n[nH]2)c1C 1889716958 ZDWNMEFJEUCJRK-UHFFFAOYSA-N 428.334 4.789 30 10 IJEE C=C(COCc1ccccc1)[C@H](NN)c1csc(Br)c1Br 1922105748 XPFWRMURPSOPGB-AWEZNQCLSA-N 432.181 4.551 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C12CC2 1925711676 YIAAYCYIPDTLBZ-XMMPIXPASA-N 443.544 4.872 30 10 IJEE CON=C[C@H](/C=N/OCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 2059951792 UPJMUANOWZKVRH-NOVIXOANSA-N 449.743 4.624 30 10 IJEE CCCOc1ccc([C@@H](C)n2nc(C(F)F)c(C=NO)c2I)cc1 2080097298 XXTZTYNENBEAKM-SNVBAGLBSA-N 449.239 4.632 30 10 IJEE Cc1c(Cn2nc(C3CCOCC3)c(C#N)c2Br)cccc1C(F)(F)F 2080343777 VNINDTVOWABAKE-UHFFFAOYSA-N 428.252 4.787 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1c1cc(Br)c(C#N)cc1F 2118192647 RFEVTOWWUCTYSV-WBMJQRKESA-N 426.330 4.732 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2scc(C)c2Br)CC1 2137175162 JSZRRAMCMAXWLZ-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE C[C@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)cc2C#N)C1 2181142726 ZNGZZZHEKRKQKB-RBZFPXEDSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC2)[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2F)C1 2215219403 UPOQMNYNIIWCSZ-QHCPKHFHSA-N 431.508 4.860 30 10 IJEE N[C@@H](C#Cc1sc(Br)c(Br)c1Br)C1CCCC1 2216398502 XAOXMQBABRZELL-QMMMGPOBSA-N 442.014 4.905 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CC(C)(C)C1 2235726674 YDCCHGXDYASPMX-OALUTQOASA-N 435.406 4.718 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](O)(C#Cc2ccccc2Br)C12CCCC2 2235742228 WZEUBZLCVNVBIE-QFIPXVFZSA-N 434.374 4.875 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2235745498 CVZNXCFZACMFCF-XMSQKQJNSA-N 433.390 4.616 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@H](O)CC#CC2CCCC2)C1 2251518963 HZBLJAZPDSIHGS-ZEQKJWHPSA-N 427.585 4.775 30 10 IJEE Cc1cnc(C(=O)N(Cc2ccccc2)C2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267112873 MWJQGGJEWRGXOM-UHFFFAOYSA-N 434.389 4.664 30 10 IJEE C=C(COC(C)C)[C@@H](OCCCN)c1scc(Br)c1Br 2293414035 QOQYVSJOBJIJAB-CYBMUJFWSA-N 427.202 4.661 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2296309116 QSROTKREXVVBRH-MOPGFXCFSA-N 435.406 4.672 30 10 IJEE C=CCOc1ccc(C=C2SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2296758952 BCALERRPQOEXOG-UHFFFAOYSA-N 439.968 4.697 30 10 IJEE Cc1nnc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 2296927078 PLXPWIJZJDTBTF-INIZCTEOSA-N 446.315 4.780 30 10 IJEE C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=NCCCCCCC(=O)OC 2297451650 STIXHJDOQVONMX-UHFFFAOYSA-N 445.610 4.639 30 10 IJEE Cc1ccc(S(=O)(=O)N=C2S[C@H](c3ccccc3)C(=O)N2C2CCCCC2)cc1 2314396719 IEERNCKXKQHGNI-HXUWFJFHSA-N 428.579 4.689 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2C=Cc2ccccc2)s1 2314457131 RKGFURCYSIVVPP-HXUWFJFHSA-N 430.529 4.879 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317356940 PZHOXBYNWYHARR-UHFFFAOYSA-N 430.354 4.576 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)C1(NC(=O)OC(C)(C)C)CCCCC1 2318890395 FYIMJEQOIIAMFM-XZOQPEGZSA-N 446.632 4.716 30 10 IJEE CCn1cc(C=C2Oc3c(ccc4c3CN(CCCCCO)CO4)C2=O)c2ccccc21 2322095718 FLJRHQWCPTXUFK-UHFFFAOYSA-N 432.520 4.592 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2F)cc1 2322457372 ONTQHOADERXSQA-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323914791 YHNKRGMTNCRDMR-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1OCC(=O)OC 2324331439 CMTINBIIQKQMAF-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CCN(CC)CCOC(=O)c1ccc(NC(=O)C(=O)C=Cc2cccc3ccccc23)cc1 2325616502 FQEJWNGMENGOPP-UHFFFAOYSA-N 444.531 4.559 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)cc4)c3C)C2=O)c1 2325728227 UUOLITKHJVKCMX-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE O=C(N[C@@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1cccc(Cl)c1 2328096396 WUVBJVHGMOMMRW-MJGOQNOKSA-N 437.754 4.780 30 10 IJEE CCCSc1nnc(COc2ccccc2OC)n1N=Cc1cn(C)c2ccccc12 2328298148 SXDFTEMAJJYLMU-UHFFFAOYSA-N 435.553 4.742 30 10 IJEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1OC(C)C 2329587694 GYJHOYXWHXVHBX-UHFFFAOYSA-N 444.944 4.533 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccc(C)cc1 2330599687 LVJQLQQZTXEEBR-UHFFFAOYSA-N 441.626 4.938 30 10 IJEE OCCCSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 2330690027 AOABJPMCRDHGDH-UHFFFAOYSA-N 444.560 4.881 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccncc2)c1 2331042521 IHFAEBSCKHSMNN-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 2331046968 LIOQXJBDBRGVTM-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(C)cc2)cc1 2331437798 FFRJUWFPDLZJQB-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE CCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 2331688031 TXWOYGSCHVCEPQ-UHFFFAOYSA-N 434.872 4.586 30 10 IJEE CN(CC1CC(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1)C(=O)OC(C)(C)C 2339598797 IBBBCYCPUDFOCP-VAWYXSNFSA-N 444.381 4.751 30 10 IJEE Cc1cc(CN[C@@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2369699094 NETIIUDHUHWQAS-RUZDIDTESA-N 448.460 4.685 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2cccc(OC)c2OC)C1=O 33773430 SOVYYAJMOGUKRT-QGOAFFKASA-N 425.506 4.556 30 10 IJEE Cc1c(C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N 38623936 MDQFVOGAUHCNMW-QGZVFWFLSA-N 448.494 4.695 30 10 IJEE N#CCN(CC#N)C(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12 39867585 XTLVPHHSFZRVLP-UHFFFAOYSA-N 425.467 4.721 30 10 IJEE Cc1ccc(S(=O)(=O)/N=C2/C=C(Nc3ccc(C)cc3C)C(=O)c3ccccc32)cc1 100822206 LAFQJHNVUPFAFW-VYIQYICTSA-N 430.529 4.982 30 10 IJEE CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\CCCCCCC(=O)OC 102148884 ABZLJDPAEHRVLR-BEIQUOEZSA-N 447.626 4.863 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2cccc(F)c2)c1 169928995 ASUVHXIXKCRRAK-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2cccnc2)cc1 170000695 LPRWRTVISLFOOS-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccnc1)c1cc2ccccc2o1 170009929 LUFJMHAEWSMFEX-NRFANRHFSA-N 446.846 4.970 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c[nH]c3ccccc23)ccc1F 170073308 KKSMSRLWHHYYPO-QFIPXVFZSA-N 436.483 4.619 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)cc1 170141360 OTHMHVBDONASKD-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C 170163323 BIASWJBMOZDHLO-OAQYLSRUSA-N 434.517 4.547 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)cc1C 170187201 BQLGEEAVZSGEPH-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(OCC)cc1 170213828 OVDYNUOGRYYXOC-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1C(C)(C)C 170229788 MLKJGSWMEVYVRL-WMZHIEFXSA-N 449.547 4.750 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 170241471 MBBSQQCELCNZNF-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)cc1C 170262001 VCSXEXAENOGJRS-HSZRJFAPSA-N 435.520 4.929 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(C#N)cc1 170272915 XAXWCNFOKJNMIO-DEOSSOPVSA-N 436.467 4.585 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2sccc2C)cc1 170315097 IRCKJMWHZGTZIH-NRFANRHFSA-N 447.512 4.919 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C=O)C[C@@H]2c3cccc4c3c(cn4C(=O)OC(C)(C)C)C[C@H]21 199801443 MQBMZVLATMHSLX-QKYXUNIQSA-N 440.540 4.889 30 10 IJEE in-vitro Cc1ccc(C=NN=C2N=C(O)[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1 252621881 NIZRGWJLAGCIFG-MRXNPFEDSA-N 434.443 4.804 30 10 IJEE CC1(C)OB(c2ccc(CNC(=O)c3ccc(OCc4ccccc4)cc3)s2)OC1(C)C 405035888 VCMANGKCFSHUBJ-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE C[C@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)Nc1cc(C#N)ccn1 436006676 KEVUHZICYLSPPL-ZDUSSCGKSA-N 447.545 4.591 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 441536934 YTCYNMGUUWMQDC-HXUWFJFHSA-N 443.473 4.511 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1)c1ccc(C(F)(F)F)cc1 474551393 BZTZMHRTPJKRTL-NQIIRXRSSA-N 426.479 4.692 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)nnc1-c1ccc(C)cc1 481356302 BBLWMPYSFAUQAG-MSOLQXFVSA-N 436.581 4.806 30 10 IJEE CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1CCN(c2ccccc2F)C1=O 490227113 LLJNEIYOMNPYPM-QHCPKHFHSA-N 444.466 4.759 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 505675018 SXGXDEFMYIWJQQ-HNNXBMFYSA-N 437.487 4.625 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(Oc2ccccc2Cl)CC1 508512728 ZVUOOZLAYWPJRA-JOCHJYFZSA-N 436.943 4.842 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 508734289 QGXQTBWPLFIUME-UHFFFAOYSA-N 444.457 4.508 30 10 IJEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@H](c2nc(C)cs2)C1 508931204 GWBORNFHDKHCSE-SFHVURJKSA-N 439.585 4.591 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C)n2/N=C\c2cc(Br)ccc2O)c1 526818778 ZXRAIPNAAOUIPN-FBHDLOMBSA-N 431.359 4.846 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(C(F)(F)F)cc1 560998478 QQYOZOHJCFPPBP-HOJAQTOUSA-N 440.506 4.580 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)NCc3ccccc3)CC2)c1 586096441 CDMBERUQFKZUSP-UHFFFAOYSA-N 434.584 4.628 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c1 608804623 BUZKWWHHPRCKCV-UHFFFAOYSA-N 438.430 4.692 30 10 IJEE O=C(N[C@H]1CCC(F)(F)C1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 681095149 ULLNPKLNEKLTHK-KBPBESRZSA-N 446.338 4.995 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1F 687754124 IKVVSHVVULQUSM-SANMLTNESA-N 444.462 4.926 30 10 IJEE COc1cc([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)cc(Br)c1O 698852388 DWWUFJFZHMHLSG-HNNXBMFYSA-N 425.323 4.908 30 10 IJEE COc1ccc(Oc2ccc(C#N)c(Br)c2F)cc1I 712856081 MPQWRFJOLVFNKN-UHFFFAOYSA-N 448.029 4.865 30 10 IJEE C#CCN(C(=O)N[C@H]1CCc2c(F)cccc21)[C@@H]1CCOc2ccc(Br)cc21 733344066 SRWNBQZOCHSVIV-VQTJNVASSA-N 443.316 4.744 30 10 IJEE C=C(Br)COC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 745342810 LSVLYUFFWKVUSD-UHFFFAOYSA-N 431.326 4.766 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 779141091 GIIYECSFBGRFLI-CYVLTUHYSA-N 436.533 4.563 30 10 IJEE CC(=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)c1ccc(Br)cn1 794514687 MTGUCWRSYHXDBV-UHFFFAOYSA-N 437.223 4.551 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(F)cc1F 838540459 HYXNJBMTESYGTO-KRWDZBQOSA-N 437.899 4.907 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)cc2C1=O 1124300918 LVUHTXKZHHYRCF-UHFFFAOYSA-N 431.517 4.770 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c(OC)c1 1128384042 MFDPLSXYERONOD-QFIPXVFZSA-N 437.433 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1OCc1ccccc1Br 1128537814 DNSANHZEHJYQLA-IERDGZPVSA-N 430.342 4.739 30 10 IJEE C=CC(C)(C)CNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 1128870940 DYXBARRUBPRZJV-UHFFFAOYSA-N 440.775 4.900 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C2CC2)nc2onc(CCC)c12)c1ccc(Br)cc1 1129730148 DDECKMJHXKEIEA-QGZVFWFLSA-N 438.325 4.920 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 1139851186 IECAKBOLQDSMLC-UHFFFAOYSA-N 447.535 4.964 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)c(OC)c1 1141360249 YXEZELVJQPQTJV-OPAMFIHVSA-N 449.469 4.810 30 10 IJEE C[C@@H]1CN(Cc2cccc(CNC(=O)c3ccccc3Oc3ccccc3C#N)c2)CCO1 1142115467 COZNWKGMLBOSCK-HXUWFJFHSA-N 441.531 4.501 30 10 IJEE CC#CCCCC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 1151867856 QMBKFVNYOVDQDQ-OAQYLSRUSA-N 428.532 4.971 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCCCC3 1187972586 UGQDFGUZIIEHRC-HNNXBMFYSA-N 445.654 4.842 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCCC1(C)C 1189785966 YVYGEIRHKRPWGL-OXQOHEQNSA-N 427.994 4.511 30 10 IJEE C#Cc1cccc(NC(=O)NCCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)c1 1196686983 OJTQZSXCSWIXDS-UHFFFAOYSA-N 437.540 4.939 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(OC)cc1)C(C)C 1198026732 ITOKTOCDAGNROX-HHHXNRCGSA-N 439.559 4.870 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCc4c(Cl)ccc(Br)c4C3)C2=O)cc1 1198277661 FWJUHDAKJHHMRZ-HXUWFJFHSA-N 444.760 4.528 30 10 IJEE C=C(C)COc1cc(CNc2cccc(S(=O)(=O)N3CCCCCC3)c2)ccc1OC 1202306723 OMEHQAKDPQPFBD-UHFFFAOYSA-N 444.597 4.827 30 10 IJEE C[C@@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 1208533981 DOKMITMSCXMNQM-JTQLQIEISA-N 445.356 4.609 30 10 IJEE C#C[C@H](NC(=O)Nc1c(F)cc(I)cc1F)c1ccc(Cl)cc1 1219121395 BMZROLRBGHMIEO-AWEZNQCLSA-N 446.622 4.719 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1 1220058282 BRICTPGDVWZVQF-HXUWFJFHSA-N 431.492 4.969 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(CC)CC)c1ccc(Br)cc1 1221086102 OHFROSUHEKNCLD-SFTDATJTSA-N 428.374 4.506 30 10 IJEE C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1224388208 CHRBMIOPSRPAJG-NRFANRHFSA-N 448.611 4.541 30 10 IJEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1228452200 AZJRHYFRQBVAKC-APWZRJJASA-N 439.581 4.796 30 10 IJEE Cc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)cc1 1264920525 CGAVXCWRZXZLSV-XMMPIXPASA-N 429.451 4.717 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC/C=C/c2ccc(Br)cc2)cc1OC 1273800227 VKTRDHXZQGSIPP-AADUQDCISA-N 428.326 4.865 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1nccs1 1286279214 KKOZTPUHUZFFEM-HOTGVXAUSA-N 425.627 4.994 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCC=CO1 1286424387 XLUOTRSQIVEFSM-NRFANRHFSA-N 446.551 4.968 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCc2cc(OC)ccc21 1286430412 MBTYBAOOMUSQKK-QFIPXVFZSA-N 444.604 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN(C)C(C)C 1286518530 WQTCPDJNOPSSLN-UQBPGWFLSA-N 439.673 4.854 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1286532727 LGMRQWNITIKTHA-UHFFFAOYSA-N 448.727 4.604 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2sccc2C1 1286600086 JLJXKAOSKCGWIQ-KRWDZBQOSA-N 442.560 4.774 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1286614112 LFZOJLMHHXFVJD-OALUTQOASA-N 432.659 4.802 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCCCOC)CC1 1286656709 YCCHQTFJYBWKTK-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC2(CCC2)C1 1286667393 JJGIRMXLIMZHBQ-UHFFFAOYSA-N 448.409 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(F)cc2F)nnc1[C@]1(OC(C)C)CCOC1 1286677113 YHBBFLHUWXZFGR-DEOSSOPVSA-N 448.558 4.836 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCCCC2)CC1 1286685602 XMBZCDZTKWUGCB-UHFFFAOYSA-N 432.616 4.875 30 10 IJEE C=CCSCCn1c(N(C)CC2CCOCC2)nnc1C1(c2ccccc2)CCC1 1286834457 FNPUIQGMTBEOPN-UHFFFAOYSA-N 426.630 4.530 30 10 IJEE Cc1cnc([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H](C)C#N)s1 1290294640 FQEBPGKAOPGNOB-YJBOKZPZSA-N 438.601 4.638 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 1290445995 WMLXLYWIANQAPZ-HOCLYGCPSA-N 436.503 4.858 30 10 IJEE C#Cc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCc3sccc3C2)cn1 1290968367 IPPNJSOOHOSWBB-DEOSSOPVSA-N 429.589 4.777 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(C3CC3)[C@@H](C)c3ccc(Cl)cc3)ccc2c1=O 1291801563 MCDOKMBYGVEZFS-AWEZNQCLSA-N 439.968 4.890 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2nc3ccccc3n2CC)CCCN1C(=O)OC(C)(C)C 1293003639 FZMZDTFTONSIER-BXKMTCNYSA-N 426.561 4.579 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1297409203 HLUGTVXYTUPRNB-UHFFFAOYSA-N 448.567 4.666 30 10 IJEE C=C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1)c1ccccc1 1300154305 UEMDYEJEPIVSAO-ADHNFCLRSA-N 442.600 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1(COC)CCCC1 1300275770 ZUVSTSJLOZHUAL-RTBURBONSA-N 428.552 4.612 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1cccc(C)n1 1300321494 NGOUDPVSOWNHIZ-INIZCTEOSA-N 444.366 4.568 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)C1 1300477699 QBKJCKYLDBPBQQ-KRWDZBQOSA-N 432.973 4.878 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCSCc1nc(O)c2c3c(sc2n1)CCC3 1300738148 UQWJVVOUYBCEPZ-GOEBONIOSA-N 431.627 4.760 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CCCC1(C)C 1300897233 PLTULJYFNIKJGZ-WMZHIEFXSA-N 440.588 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(NC(C)=O)nc1 1300906766 SSRPEBSBYGQBGK-UHFFFAOYSA-N 442.926 4.542 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC(CC(F)(F)F)CC1 1300982191 CVOGRHZEHCPLDB-UHFFFAOYSA-N 438.494 4.715 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)CN2CCCCC2)CC1 1301096051 UYEFTTFRNPWNRA-QFIPXVFZSA-N 437.632 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C)C1 1301141701 PYQNNCJNUDQROL-AWEZNQCLSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2Cl)CC1 1301145953 NCXNTMJEJVSAIR-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301225461 FFIBYNHWCZTZTF-UHFFFAOYSA-N 440.897 4.836 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1Cc1nnc(CC)s1 1301351140 KWSLIOAHRIHMGP-UHFFFAOYSA-N 426.565 4.730 30 10 IJEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C(C)C 1304722417 AJJMBNWEGAXOFR-UHFFFAOYSA-N 445.596 4.692 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(N(C)C)ccc1Br)c1ccccc1 1309807604 SNUJYERPJZKSMP-IBGZPJMESA-N 437.403 4.891 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 1310357819 SBQFGJLKPYUDRD-YOEHRIQHSA-N 436.375 4.599 30 10 IJEE C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1c(Cl)cccc1Cl 1311802303 HKMUNDXDVJLLDJ-AWEZNQCLSA-N 435.330 4.639 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1341941402 NQKSCNGJSZPCAD-YOFSQIOKSA-N 435.597 4.550 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)cc1C#N 1348633577 ZDVNEHAUHXBBRZ-UHFFFAOYSA-N 428.473 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cc(C(CC)CC)no1 1358871684 JAUQWPLLOLPTMT-IRXDYDNUSA-N 439.535 4.955 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC)CCCC1 1359009352 NJQVPDBEFPWMCC-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1359092987 IUMBJETWMRRSLZ-JROBLHLSSA-N 438.616 4.837 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1359129080 QHBJFIQNPKOSSD-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)CCC(C)C)CC1 1359158738 DCXWBTQCQYYBDC-DVECYGJZSA-N 430.568 4.901 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1359184548 SCXQPDRHGAFMSE-IBGZPJMESA-N 449.559 4.573 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359210779 HIDBNWNBWGMGJR-INIZCTEOSA-N 444.942 4.854 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 1359220002 KZRODIUXYWCUMA-UHFFFAOYSA-N 440.979 4.590 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@](C)(O)CCC 1359267567 KTZAWQFAUODURV-FQEVSTJZSA-N 437.357 4.576 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1359315433 VBQGFLVUKWHFFO-XUVXKRRUSA-N 445.489 4.892 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)cc2F)C1 1359323307 LNJQKVMQPSEIEP-SFHVURJKSA-N 432.952 4.553 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1359346273 HITHZAYXFUEJPQ-QFIPXVFZSA-N 427.643 4.928 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)C1 1359880056 CAPQAORZRHPWHH-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccco1 1440381065 GIKJQJPQCAABHJ-RUZDIDTESA-N 444.531 4.812 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C)(c4ccc(Cl)cc4)CC3)n[nH]2)c1C 1448995789 AUMLQHUYUUMCMC-UHFFFAOYSA-N 437.975 4.923 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 1458874818 MPWITPJAOQOTJT-IAGOWNOFSA-N 444.567 4.522 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)CSCC2CCN(C(=O)OC(C)(C)C)CC2)c1 1459029412 DQRLROBIIDPTCE-UHFFFAOYSA-N 445.629 4.930 30 10 IJEE N#Cc1cc(F)cc(C2(C(=O)Nc3nc(-c4ccccc4C(F)(F)F)ns3)CC2)c1 1461467453 BAHDKRRHGVBYQY-UHFFFAOYSA-N 432.402 4.905 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 1463799450 GODMYEHZTUPPHL-RUZDIDTESA-N 445.950 4.942 30 10 IJEE C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1ncccc1F 1467626676 CJAREVNZVGHNBY-SNVBAGLBSA-N 440.315 4.594 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC)[C@H]1CN(Cc2ccccc2)CCO1 1469246747 JXYIKSNJSOSHKX-LEWJYISDSA-N 448.032 4.779 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCCn1c2ccccc2c2ccccc21 1469509158 GZPQNESSPCMLLZ-UHFFFAOYSA-N 426.520 4.524 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)c1ccc(F)c(F)c1 1469857828 YLBLPNDKVTXMST-RXYZOABWSA-N 445.485 4.773 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1470068182 DJSMCEINTRDIFH-LJQANCHMSA-N 434.342 4.946 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCc2c1ccc(F)c2Br 1470163775 ZBDMPOQWPIWHOR-IBGZPJMESA-N 433.321 4.982 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1470490877 RJIJXCDQOXUWMS-GGAORHGYSA-N 432.486 4.894 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCCS(=O)(=O)C[C@H]1c1ccccc1)c1ccccc1 1471203782 PNNIWXBQIDGWPL-PKTZIBPZSA-N 426.582 4.655 30 10 IJEE N#Cc1ccc(-c2ccc(Cl)s2)n(Cc2nc(-c3cccc(Cl)c3)no2)c1=O 1473049483 AJWMRNGZPXLLHY-UHFFFAOYSA-N 429.288 4.854 30 10 IJEE N#Cc1nc(NC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)ccc1Br 1476946466 CGMGEGBEBMFNND-UHFFFAOYSA-N 426.101 4.833 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(=O)N(C)C1CCCCC1)c1ccc(C(F)(F)F)cc1 1478219159 UZRTYWFLMIIZJF-LJQANCHMSA-N 425.495 4.803 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC[C@H](SC)C1 1507576541 XFQVIYJVXRAXLE-KNQAVFIVSA-N 442.629 4.952 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)[C@H](C)C1 1507749818 YASOJPWZVXVDDP-RTBURBONSA-N 436.581 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1[C@@H]1C[C@H]1CF 1507763773 DNVNRMMZHGUCLG-JOKNJTHLSA-N 437.744 4.884 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCc1nccs1 1507795282 HPIDMJQSAXYGGV-XLIONFOSSA-N 444.004 4.715 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1507888385 ZTIWKVJQTAMYTG-UHFFFAOYSA-N 444.627 4.899 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(C#N)o2)CC1 1507888547 NSBQSWXVWHUAEQ-UHFFFAOYSA-N 431.540 4.824 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2sc(C)nc2C)CC1 1507908925 KVZXCMBVMDYQAD-UHFFFAOYSA-N 437.613 4.998 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](COCC)C1 1507927345 QNMMHUSLMRTZTP-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCSC1 1507938079 XWENVHXACGPCGG-ROUUACIJSA-N 435.638 4.648 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1507947691 IKHDNJIPGBVGTA-MSOLQXFVSA-N 445.633 4.818 30 10 IJEE C=CCCOCCn1c(N2CCS[C@H](C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1507965732 IQPNKZGEAPPFEG-WOJBJXKFSA-N 426.630 4.671 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCc1c(C)noc1C 1508014036 UYYIDVFWLQFENT-UHFFFAOYSA-N 442.361 4.734 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCC1(F)F 1508033426 MHRRTSOZRSQBRY-LJQANCHMSA-N 441.526 4.918 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCS1 1508036477 DBIRWALMRKYYCR-IBGZPJMESA-N 437.613 4.726 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1508160516 VGAGIBVIBYWCTO-UHFFFAOYSA-N 444.620 4.568 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1)OC 1512749727 AWRDAXHFCLFRBQ-FDDCHVKYSA-N 448.571 4.791 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCc2cc(OC)ccc2C1 1520236171 IJAXGHGMNVYVME-KRWDZBQOSA-N 432.333 4.917 30 10 IJEE C=CCOc1ccc(COC(=O)c2cc(Br)cnc2Br)cc1 1521898135 JIZIQDFFUADDRW-UHFFFAOYSA-N 427.092 4.528 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)cc1 1527031810 DNJQBNFHOZMAPD-HUUCEWRRSA-N 430.595 4.670 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccc(Br)cc1 1528080368 IEAIUHHILKLUOG-MRXNPFEDSA-N 433.277 4.955 30 10 IJEE C=CCC1(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)CCOCC1 1531987903 MNIHDGVEDQLNKG-IBGZPJMESA-N 435.406 4.524 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cc(I)ccc1N1CCCCC1 1534845454 SXILGMFHSHTWNE-HNNXBMFYSA-N 426.342 4.756 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@]23CCCC[C@@H]2C3)ccc1Cl 1535054173 RJAUYEXCBKEPPR-JPYJTQIMSA-N 444.984 4.784 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1535468157 NCXJDTAVXZPWMK-FQEVSTJZSA-N 442.943 4.690 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(S(=O)(=O)CCOC)cc1)c1ccc(Cl)c(Cl)c1 1538191037 KSICSWJMNMEBDH-IBGZPJMESA-N 443.348 4.888 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1nccs1 1539377864 NZYFYUARWBWGGG-GOSISDBHSA-N 437.613 4.874 30 10 IJEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)C1CCCCC1 1539706595 LXSCUUZQKUMROB-AZUAARDMSA-N 447.624 4.568 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2ccncc2)CC1 1539829228 WEEZMMZEGMGXJL-FQEVSTJZSA-N 433.556 4.611 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1539919507 XCZHRMONVLAXTP-NVQXNPDNSA-N 442.600 4.583 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@@H](C)[C@H]1C)c1ccccc1 1539949515 YTEUPYIJFTYUGK-ZRCGQRJVSA-N 433.625 4.954 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CC)CCOCC1)C1CC1 1540094698 OXPPGJOSKSFJIA-UHFFFAOYSA-N 437.588 4.509 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 1542229354 SVOQXPTWSIWGOR-IBGZPJMESA-N 449.979 4.533 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c1 1543231163 LGUKKAPSJGDTFC-UHFFFAOYSA-N 427.548 4.910 30 10 IJEE C=C1CCC(CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)CC1 1558260782 RZLRILFEZZPYTA-UHFFFAOYSA-N 432.973 4.925 30 10 IJEE COCCN(c1ncc(Br)cc1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 1559085187 BRYLEAXGKNZOOH-LBPRGKRZSA-N 428.252 4.949 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1cccc(OC)c1 1559381415 RHZNRNOTSDTNFD-TVKQPGBESA-N 428.602 4.561 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)CC1 1564370061 BLKGDNRDNCHJMX-UHFFFAOYSA-N 443.378 4.819 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 1583735884 HZUPCDFFLMKIPA-QFIPXVFZSA-N 425.532 4.993 30 10 IJEE C#C[C@@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1 1584707626 BILYYOAHQHXAGH-HSZRJFAPSA-N 433.349 4.946 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2CCCO[C@@H]2CC(C)C)nnc1-c1ccc(Cl)cc1 1585715097 NGXRBQPTPCVQEG-RBUKOAKNSA-N 449.020 4.587 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1ccccc1 1585924884 PLQDPVXLFYZFSV-RTBURBONSA-N 432.442 4.762 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CCCC1(C)C 1586321061 XVCSRSNBFPKBIQ-IPJJNNNSSA-N 432.630 4.560 30 10 IJEE C=CCn1c(SCC(=O)O[C@H](C)c2cccnc2C)nnc1-c1ccc(Cl)cc1 1586689899 YZHIRNYTFOCDCN-OAHLLOKOSA-N 428.945 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCCN1CCCC[C@@H]1C 1587668428 ZGCRCBSORGQUER-GOTSBHOMSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1587723439 JJQDFWHZLONGKI-UHFFFAOYSA-N 432.572 4.561 30 10 IJEE C=CC[C@@H](C(=O)Nc1nn(-c2ncccc2Cl)cc1Br)c1ccccc1 1587812857 VXTLJKPZROAYDS-CQSZACIVSA-N 431.721 4.982 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1CC 1589303970 BSGMAGAACAIOOE-OAHLLOKOSA-N 440.183 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)CC1 1589495793 UDXFZZHDAQLQBQ-JQVVWYNYSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCc1cccs1 1589503870 FLIZJOMGNRIOPM-UGKGYDQZSA-N 438.597 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1C 1589556348 BRMLGQAWBKQGSF-OFNKIYASSA-N 437.613 4.560 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN(C)CC(F)(F)F)CC1 1594064263 LPUMCPVMMXPPAL-UHFFFAOYSA-N 445.892 4.778 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H]1CSC 1594497232 CXRIDHASWTXFNW-XLIONFOSSA-N 428.602 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1594511388 QBXLPTOLBMNIFY-QHCPKHFHSA-N 430.600 4.947 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CCN1CCCC(C)(C)C1)C1CC1 1595065375 OJHRJQGGIDPTFE-UHFFFAOYSA-N 437.632 4.751 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1cnc(C)s1 1595343237 IOJRSZHGNCQJGZ-UHFFFAOYSA-N 438.782 4.948 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1595659018 QNPLYSSUHQKPHC-QFIPXVFZSA-N 448.615 4.826 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCOC(C)(C)[C@@H]1C 1595904993 AAQLQEMUJCVPLX-KRWDZBQOSA-N 448.658 4.502 30 10 IJEE Cc1nc(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)c(Cl)cc1C#N 1612487259 CAVAQTBMMDFHGC-QFBILLFUSA-N 430.911 4.551 30 10 IJEE CC[C@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(SC)c1 1614118959 FTSTXTYMGSWAFA-XLIONFOSSA-N 448.596 4.519 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1615366752 GDPONPQDKLQIPY-XMSQKQJNSA-N 447.612 4.557 30 10 IJEE C=CCN(C(=O)c1ccc(Nc2nc(C)cs2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1616306184 WCFBQIIOPSPZBB-JOCHJYFZSA-N 449.576 4.998 30 10 IJEE CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1618803941 AGKFFHYDBAFYJP-OFNKIYASSA-N 426.900 4.856 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1)c1ccccc1 1624022238 ZVCGIDSUPMQUED-JOCHJYFZSA-N 448.544 4.559 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 1624834717 MZTRUCCOLQTHCG-SFHVURJKSA-N 427.501 4.720 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)c1 1625562722 APGJXJWSEZVBBG-UHFFFAOYSA-N 444.459 4.583 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(NCc3ccccn3)c2)cc1 1625682220 UVGFGEIBOMZVBO-UHFFFAOYSA-N 426.520 4.760 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)cc1 1626172899 CNDNOJIQMAKKHD-UHFFFAOYSA-N 428.905 4.810 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCCN(CC3CCCCC3)CC2)c1 1630829367 DPMYUHCUNQRXDP-UHFFFAOYSA-N 431.580 4.865 30 10 IJEE C#CCC1(NC(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 1635514982 URCXNHMLOBOLOT-IBGZPJMESA-N 430.548 4.614 30 10 IJEE C#CCOCCOc1cc2ccccc2cc1C(=O)Nc1cc(Cl)c(OC)cc1OC 1640661915 VZBLVBAMHYOZOD-UHFFFAOYSA-N 439.895 4.791 30 10 IJEE CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 1647995053 HVCLWWPMBVNKNY-UHFFFAOYSA-N 445.592 4.761 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 1652458922 UOBKGLLCRMIXQV-GOSISDBHSA-N 444.553 4.668 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@@H](c3ccccc3)[C@H]2C)cc1 1652655395 DABKCPPKRARFCJ-HYBUGGRVSA-N 442.563 4.791 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC[C@](C#N)(c3ccccn3)C2)cs1 1654465984 KBCWLJMGVXGCPW-RUZDIDTESA-N 445.592 4.897 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccc(Cl)c2)nc2sc3c(c2c1=O)CCC3 1656058039 JDOWHQQMQPSQJJ-UHFFFAOYSA-N 445.997 4.907 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2c[nH]nc2-c2ccc(Br)s2)cc1 1656516401 IJSRMYAKXXSAAZ-UHFFFAOYSA-N 432.347 4.820 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 1657438410 UULKOOBQGVMUFF-IRXDYDNUSA-N 429.358 4.687 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](c2ccc(OC)nc2)C2CC2)cc1OC 1658387328 MCDAGZYPEJQULA-FQEVSTJZSA-N 433.346 4.667 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NC[C@](O)(c3ccccc3)C(F)(F)F)c2)cc1 1659137270 FWMDRFYMLWDSGL-QFIPXVFZSA-N 441.409 4.922 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 1659179961 GDSSVGFMICOTQA-SUMWQHHRSA-N 446.935 4.658 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1C(F)(F)F 1661056216 DEZHGWLJTRQOQV-QGZVFWFLSA-N 446.397 4.534 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(C)c(Oc3ncccc3Br)c2)CCOCC1 1661466990 SQPOUCPQZKCBLV-UHFFFAOYSA-N 444.329 4.639 30 10 IJEE O=S(=O)(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(C(F)(F)F)ccc1F 1663408509 HAILPSULTDJZBW-UHFFFAOYSA-N 441.368 4.873 30 10 IJEE C=C[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1 1667477785 RFXLFKDAGYEXRG-GOSISDBHSA-N 443.569 4.658 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1667821595 LWCPQQTWVAEHSP-GOSISDBHSA-N 447.457 4.816 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(I)cc1Br 1669098017 GKQBQYNXWGEPOG-JTQLQIEISA-N 437.119 4.920 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 1671014595 IUNKHCKKVLXGMD-KKSFZXQISA-N 447.373 4.932 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1671770664 HXZSPJRQSGUJCE-JOCHJYFZSA-N 436.508 4.715 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(OC(F)F)cc1 1672210182 QYHDMKMQVWZRDR-UHFFFAOYSA-N 427.245 4.937 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1672314763 WTISVRACWQWKDQ-QGZVFWFLSA-N 429.345 4.874 30 10 IJEE COc1cc(CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)ccc1Cl 1677898915 GUCKDRNGHPFXIS-UHFFFAOYSA-N 425.941 4.991 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n12 1677925797 VSPCMFPRAZMQTB-UHFFFAOYSA-N 444.926 4.729 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 1678741330 AGXSASPSHTXYNR-UHFFFAOYSA-N 433.040 4.630 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)C1 1685266657 GAPHEMZXMBUVHJ-OFVILXPXSA-N 433.596 4.941 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1689875450 RTKSRGUJIBRBIY-YOFSQIOKSA-N 429.609 4.572 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCOC[C@H](C2CCC2)C1 1689901876 RERXJHMHRKDPQG-HSZRJFAPSA-N 436.600 4.530 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H]1CCCCO1 1690161532 ITYDTQVSDZJUIF-LJQANCHMSA-N 444.670 4.647 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1690223119 FCLKSSSMPLNHFY-ZIAGYGMSSA-N 437.769 4.750 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C)[C@H](C)CC)CC1 1690399268 RYQOEGBEZOZLQY-MOPGFXCFSA-N 429.584 4.690 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1690406546 KERIKUWKLMPLJH-UYAOXDASSA-N 428.552 4.893 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1690503286 XDFOJMVGMOKDMN-LJQANCHMSA-N 426.605 4.839 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCSC(F)(F)F)C1CC1 1690536956 HXPPQGTZKLQMHS-ZDUSSCGKSA-N 430.471 4.965 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)[C@@H](C)CC 1690577425 HKOYCVCXSIGNEL-GAJHUEQPSA-N 425.602 4.700 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1N(C)CCCC1(C)C 1690590418 YQHQNQDHDFZAQW-JOCHJYFZSA-N 430.600 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccccc1CN1CCCCC1 1690591098 HVRZXEMRXHPSRS-UHFFFAOYSA-N 428.584 4.553 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(C)c1ccccc1 1690600746 CAKJEIBPWGMRMJ-YMPZKCBVSA-N 437.632 4.900 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)Cc1cc(Br)cs1 1690742625 WOOFKUOKPIYUND-UHFFFAOYSA-N 427.437 4.925 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1690742655 XHNGZPFRUMHDIJ-APWZRJJASA-N 438.428 4.588 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCc1ccc(Br)s1 1691008236 GEGKTYFUDCTIEN-AWEZNQCLSA-N 436.423 4.673 30 10 IJEE Cc1ncsc1CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1692921915 IAFJVWHXYQWGCU-CQSZACIVSA-N 447.033 4.827 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(C(F)(F)F)c2)C1 1694856844 HZIGTZWCDPPIIZ-INIZCTEOSA-N 440.473 4.905 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2CC2CCC(C(F)(F)F)CC2)C1 1698483654 HROKDOIYISYXLR-NODKNVJMSA-N 439.432 4.895 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C[C@H]4CCOC4)C3)n2CCCC(F)(F)F)cc1 1698487196 CYNTZRQFAVLDRV-RTBURBONSA-N 447.505 4.802 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1cccc(C)n1 1705479871 PKDGNBJVDMOAFW-GOSISDBHSA-N 442.592 4.781 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC1(CCOC)CCCCC1 1705500435 NBEHBBAPMFULRL-OAQYLSRUSA-N 433.600 4.726 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCc1csc(CC)n1 1705620142 MGHAARNURUNJHP-UHFFFAOYSA-N 439.604 4.907 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(OCCC(C)C)CC1 1705657368 CJQFUTBUYKMVCI-UHFFFAOYSA-N 447.048 4.996 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CCc1ccc(OC)c(Br)c1 1705667370 SCJXNZDWMDXWAT-OPAMFIHVSA-N 445.405 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccc(C)cc1 1705670816 KHRYNDJJUQOLDD-MHECFPHRSA-N 435.959 4.762 30 10 IJEE C=C(Br)Cn1c(N2CC[C@@H]3CCN(Cc4ccccc4)[C@H]32)nnc1C(C)(C)C 1705692756 RTKKSVWBVCSCTP-OALUTQOASA-N 444.421 4.543 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1705695683 JRHNCYPAEXQQOQ-UWJYYQICSA-N 443.954 4.849 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1705756824 PLFPTMDTLSLDAF-HNNXBMFYSA-N 435.022 4.535 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1705779115 VZLYDVPENKZEMG-UHFFFAOYSA-N 438.457 4.681 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CC[C@H](F)C2)CC1 1705785690 SCQQJSLRYDDCOZ-PMACEKPBSA-N 428.552 4.796 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705811618 GVHGLLXHBQDZMM-LADGPHEKSA-N 447.631 4.911 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCSC1 1706079252 HHAPZSYMJPFYMF-RTBURBONSA-N 441.645 4.894 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)c2c(C)noc2C)c2ccccc2n1 1707251114 CKOKSYRTCUAIQY-DOTOQJQBSA-N 443.555 4.949 30 10 IJEE CCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](SC)C2)CCOCC1 1708880544 GXKAJJPIVPYRTD-OAQYLSRUSA-N 439.629 4.745 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCCCC2)C1 1722308421 NATCSRTZVGDEJG-HXUWFJFHSA-N 440.563 4.900 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)CC1 1722320844 MFFVSVGAKXCRAF-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCSC1 1722422880 VQWWXMCRUFAYOS-HXUWFJFHSA-N 435.572 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CSc2ccccc21 1722502308 TUUNGUSKRIYDFN-YADARESESA-N 442.629 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1cccnc1Oc1cccc(F)c1 1722527100 YXQAEPOABJASTM-UHFFFAOYSA-N 445.502 4.512 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)CC1 1722529214 WPGWTMSGLIWHPN-UHFFFAOYSA-N 439.648 4.613 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(Cl)s1 1722531564 SPCYANZKFSOPGB-UHFFFAOYSA-N 447.948 4.797 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1722540016 GWNDQQONQPCBPT-SANMLTNESA-N 431.584 4.619 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1722661353 BQOPXRYPUCWJCN-GDLZYMKVSA-N 447.029 4.764 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCc1ccccc1 1722686292 WNHTYZKXIXZHQM-NRFANRHFSA-N 439.604 4.648 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCC[C@@H](O)C1 1723390061 BJTMJFZUIYLNLI-FYYLOGMGSA-N 448.615 4.598 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)C[C@@H](c2ccsc2)O1 1726666216 HSMZAPWTKOKFET-KXBFYZLASA-N 443.523 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(OCC)CCCC1 1740537996 BSSQXDPVWHOHQW-AWEZNQCLSA-N 437.407 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CCCSC1 1740543535 QVPZPAGYEFNTTH-OALUTQOASA-N 442.629 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H](OC)C(F)(F)F 1740557848 AQJGOBZIYCVKDF-BBRMVZONSA-N 446.926 4.649 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1nc(C)c(C)s1 1740600181 KHCJCPHGAZYCJQ-UHFFFAOYSA-N 434.594 4.568 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCN(C)C(C)C 1740604231 AYIKHCMKVCTPAQ-UHFFFAOYSA-N 425.577 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1740669261 UCQQWUSRPFCUBS-UHFFFAOYSA-N 432.597 4.883 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1740717518 UZTIAHBBICIONO-GOSISDBHSA-N 431.675 4.690 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1 1740754282 DGZFVIFQWDKYHH-PXNSSMCTSA-N 445.007 4.974 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccc(Cl)s1 1740790634 UKNHKXJNQJEUGK-UHFFFAOYSA-N 446.960 4.618 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1740848389 JRMIAJCDNBFXIR-ICSRJNTNSA-N 430.980 4.616 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1740854078 KYSBHSPXPUPLPS-XMMPIXPASA-N 444.627 4.929 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740882583 QSYBSMSZEJJHDT-BEFAXECRSA-N 439.387 4.706 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C(CC)CC)N(C)C 1740893964 DJMQPCWUQYHDDP-OAHLLOKOSA-N 440.455 4.758 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN(C)[C@H](C)CC 1740894292 OXXFBWOXOHWZCO-CQSZACIVSA-N 440.817 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)OCC 1740894520 XBIVVILQYIGKQA-UHFFFAOYSA-N 427.774 4.798 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1740903699 HWKLCACYOZDCTE-QFIPXVFZSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@](C)(O)C1CCCCC1 1740918438 JYJCLKHKVGIGDS-SANMLTNESA-N 431.584 4.864 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1740949123 IJEVNFKMSOFTME-HXUWFJFHSA-N 437.613 4.605 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(-c2cc(F)ccc2Br)nnc1N1CC[C@](F)(C#N)C1 1741770411 BDZHKOARNYTSMP-CRFBAAHOSA-N 436.304 4.506 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1748674688 VUYIUHUAOKVZRP-KRWDZBQOSA-N 425.577 4.720 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCCC 1749023652 ZKKYCAAHAOOSPC-UHFFFAOYSA-N 425.627 4.980 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H]1CCO[C@@H](C)C1 1749149277 YKCZAYFEJNHYRR-OALUTQOASA-N 428.577 4.570 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1749170253 IQGOAEYWTVTZSB-LJQANCHMSA-N 441.988 4.841 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1749184060 BDYYWUMAOZWDLO-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1749367185 RKMHIJVYQKTWJP-GYENKFPZSA-N 444.645 4.709 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1749381620 FUBODMRLBCVCDE-LVXARBLLSA-N 448.615 4.680 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 1749430352 RZSCXRPWKPPRFV-VQTJNVASSA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCNC(=O)OC(C)(C)C 1749465927 JFPNGQVQPWHPNJ-UHFFFAOYSA-N 439.604 4.675 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC)c(F)c1)C1CC1 1749527983 YJPNHQVOGQBAAD-WIYYLYMNSA-N 428.552 4.548 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1N(C)CCCC1(C)C 1749528161 FRHGGWRPYCVBBG-QHCPKHFHSA-N 448.615 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ccc(F)cc1 1749554795 ZPVUGWGTEOSRQO-PKOBYXMFSA-N 426.561 4.979 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1749585266 ZLEHWABIOCMDMS-DHIUTWEWSA-N 444.627 4.696 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2oc3ccc(F)cc3c2C)C1 1749712247 HDMAPIIHKRFAKF-SFHVURJKSA-N 426.536 4.890 30 10 IJEE CC(C)(Cn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(F)cc1 1751276613 CXWACYVKYHNZNK-RUZDIDTESA-N 432.547 4.511 30 10 IJEE Cc1c(Cn2c(-c3cc4ccccc4o3)nnc2N(CCC#N)CCC(C)C)cnn1C 1751363378 CPWAFRQMYKJCEY-UHFFFAOYSA-N 431.544 4.548 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](COCC)C1 1760159272 BBBWNYHKCJBBAR-SFHVURJKSA-N 433.021 4.890 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)SC 1760228408 FOUZBTCHBTVOGS-UHFFFAOYSA-N 441.826 4.962 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1760391185 UGKCKNPQKJFDQQ-WOJBJXKFSA-N 443.586 4.672 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H]2CCCCCC[C@@H]21)C(C)C 1760490256 SMIAFPOXWHOTFY-YFNKSVMNSA-N 449.647 4.593 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1CCC(=O)N1CCCCC1 1760499034 MDSNNIHGHITURG-UHFFFAOYSA-N 435.616 4.573 30 10 IJEE CC(C)(C)OC1CC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(F)(F)C2)C1 1760794455 FMGIEARBGAGZON-UHFFFAOYSA-N 429.515 4.646 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CCOc3ccccc3)cc2C1 1762807914 FFSRZZHZKWHRDR-ZWKOTPCHSA-N 435.597 4.949 30 10 IJEE CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)CS(=O)(=O)Nc1cccc(C#N)c1 1858111681 VDJVTRXGOHZZBP-KRWDZBQOSA-N 427.570 4.822 30 10 IJEE COc1ccccc1-c1nc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)cc2o1 1859743788 JBIILAUHKMLDMM-UHFFFAOYSA-N 435.443 4.813 30 10 IJEE CCc1nc2cc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)ccc2o1 1859750296 VFBPXMYCPRDZDW-UHFFFAOYSA-N 436.475 4.865 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2c(Cl)cccc2Cl)c1 1862498598 LVZFTGULLYNSAI-BFUOFWGJSA-N 434.319 4.569 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(Cl)cc2)cc1 1862617896 KZHAFDHUDDCPES-FQEVSTJZSA-N 427.928 4.598 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccc(F)cc1)c1ccc2ccccc2c1 1862714952 IJBCWJYQMYCPCO-HSZRJFAPSA-N 441.462 4.523 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(C)ccc3C)C2=O)cc1 1863402284 UEANDWOBFOZFLY-UHFFFAOYSA-N 435.527 4.918 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)/C=C/c1ccccc1Cl 1870140700 FIFXPKQXMHBULR-RMKNXTFCSA-N 442.704 4.515 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN(CC)CC 1870511804 JVNHWWPYEJDKLF-UHFFFAOYSA-N 435.653 4.734 30 10 IJEE C=CCOc1cn(Cc2ccccc2C)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1870809576 KHJXWCZAQAXYPI-UHFFFAOYSA-N 431.536 4.649 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CNc1ccccc1CC 1871190905 NBDZCAVYVMLMER-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccncc1)C3=O)CN(CCc1c[nH]c3ccccc13)CO2 1871350169 NWHLGLWBXFAIAF-MSXFZWOLSA-N 437.499 4.882 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)c1 1871380288 GOPMYOZPIQWVGP-JRWSPRBFSA-N 443.455 4.642 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3C)c2C)C1=O 1871453872 VWPXBQUAWNTOKT-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 1871905205 PXLWGHKNZVYLNY-QHCPKHFHSA-N 444.597 4.706 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1871993947 NNORVPRZNWNDNT-XMMPIXPASA-N 434.561 4.860 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1872178528 MZXRNEAKJAEFPM-JOCHJYFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872429267 ACDNKGZHFXHWII-SFHVURJKSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OC)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872582793 UDILQXVOCRGEQV-WZONZLPQSA-N 444.597 4.542 30 10 IJEE Cc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872772446 DHEDRRZVLAUDDR-LJQANCHMSA-N 434.517 4.925 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c([N+](=O)[O-])cc1OC 1872780054 YKQSRYAMKVHBMG-LBPRGKRZSA-N 445.403 4.504 30 10 IJEE CCCCN(CC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)c(CC)s1 1872799022 CFTIJYPAWVJYFW-QGZVFWFLSA-N 429.586 4.688 30 10 IJEE CCCOc1cccc(/C=N/n2c(CCCOc3ccc(OC)cc3)nnc2SC)c1 1874220835 GVGCUDIPNIAGOG-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc(Br)c1 1874248587 WWAYKFMLJQHNDD-HYARGMPZSA-N 445.386 4.965 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc[nH]1 1874296337 WVPRSFIHDGLKNP-ZVHZXABRSA-N 432.509 4.588 30 10 IJEE Cc1cccc(OCc2nnc(SCCO)n2/N=C/c2ccc(C(C)(C)C)cc2)c1C 1874326429 OFYMTRZFVURMHC-MFKUBSTISA-N 438.597 4.738 30 10 IJEE Cc1cccc(/C=N/n2c(SCCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874336730 HMGBBRACVHXQQJ-XDEFOSFOSA-N 447.608 4.528 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCC)c(OC)c1 1874376299 ONQLCGUKWDTYBE-BUVRLJJBSA-N 426.517 4.576 30 10 IJEE CCOc1cc(/C=N/n2c(SC)nnc2[C@@H]2CCCO2)ccc1OCc1ccccc1 1874441523 AQDCNPGDGXGXCQ-UDIPQKBFSA-N 438.553 4.711 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874476278 ISLDCCWOWAHYSX-WSDLNYQXSA-N 429.477 4.548 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(OC)cc2)o1 1874481764 MQLFDTUCXOAFFJ-YDZHTSKRSA-N 442.541 4.528 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccs2)c1 1874493351 HWKOEEPSPTZOPU-WSDLNYQXSA-N 425.583 4.837 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C1CCC1 1874493375 JHZUXMRNDPOYMP-PCLIKHOPSA-N 449.580 4.947 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2COc2ccc(C)c(C)c2)ccc1OC(C)C 1874563098 JVMGIZGITCKGIB-ZMOGYAJESA-N 440.569 4.831 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)c2cccc(Br)c2)cc1 1874740223 RQPJJVXIGBWCKG-UHFFFAOYSA-N 428.326 4.915 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)COc1ccccc1 1875116141 NHBBWTRTZWJDNO-RIYZIHGNSA-N 447.443 4.874 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1OC(=O)c1cnccn1 1875168549 IXOCFDPQJHYGAM-BQYQJAHWSA-N 446.503 4.843 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C1 1901744777 YAOIWGZRLNYIGJ-UHFFFAOYSA-N 433.471 4.658 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 1922068234 HJIAQGLNSWJVKL-RJGXRXQPSA-N 446.632 4.524 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)O1)NCCC 2009296867 ZUQDGUVTOZNLTE-PMVMPFDFSA-N 432.605 4.542 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1Br 2060547825 WFGAQQVPAVLYMM-AWEZNQCLSA-N 431.758 4.578 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)cc1 2101337525 OOLGXIHKHFVJAE-INIZCTEOSA-N 442.365 4.777 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cccc(F)c2Br)NC)C1 2126686135 XFGBZXNXXLCUCB-INIZCTEOSA-N 427.358 4.580 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2140575620 RPGQRKMGDWKSFW-DLBZAZTESA-N 429.399 4.773 30 10 IJEE C=CCN(CC(=C)Br)[C@@H](CN)c1ccc(Br)c(Cl)c1F 2154378003 PGIWQMHFJHKDEW-LBPRGKRZSA-N 426.555 4.638 30 10 IJEE N#Cc1c(Br)cccc1N[C@@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2156295218 GOSKAQCSJCQOLS-PGRDOPGGSA-N 426.358 4.556 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2159120601 JGFGTUJHVLYLBY-OALUTQOASA-N 437.422 4.975 30 10 IJEE C[C@@H](CC1CCN(c2cc(Br)cc(F)c2C#N)CC1)NC(=O)OC(C)(C)C 2203522686 BYLWDAHIZOTRHA-ZDUSSCGKSA-N 440.357 4.980 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H]1CCCN1C(=O)OC(C)(C)C 2235721680 BDDDULXUTNQZQL-RBUKOAKNSA-N 435.406 4.958 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC1(CNC(=O)OC(C)(C)C)CCC1 2235730914 PJWWVMZTVQXVGV-SFHVURJKSA-N 435.406 4.864 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2255615338 KDCLTIPYBIDFOA-WBAXXEDZSA-N 430.354 4.693 30 10 IJEE COCCCCN(Cc1ccccc1)Cc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2260855394 ALTQAYNXZMGDHI-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C 2296223157 ZHAROWBFEIQYTP-UZLBHIALSA-N 445.348 4.717 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C1CCCN(C(=O)OC(C)(C)C)CCC1 2296308855 NOVJHGUJLYXTAE-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 2296310931 POJMJGPPBCJVGX-FHWLQOOXSA-N 439.369 4.516 30 10 IJEE COc1cc(Br)cc(C=C2SC(=Nc3cc(C)cc(C)c3)NC2=O)c1O 2297298442 ZORLPRJGHNJBFI-UHFFFAOYSA-N 433.327 4.672 30 10 IJEE CCN[C@H](C#Cc1cccs1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2300798151 LLOMITCJIIADJD-JOCHJYFZSA-N 440.609 4.532 30 10 IJEE O=C1NC(=Nc2ccc(Cl)c(C(F)(F)F)c2)SC1=Cc1ccccc1C(=O)O 2314928877 DCCDCIQXDWXHEF-UHFFFAOYSA-N 426.803 4.949 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CC(C)C)ccc1OCc1ccccc1Cl 2321898864 GHAIOYMQIXNPRQ-UHFFFAOYSA-N 430.961 4.889 30 10 IJEE Sc1nnc(COCc2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 2322016116 XXVJOOBYLFUSAP-UHFFFAOYSA-N 430.533 4.745 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1cccc(OC)c1)C3=O 2322114863 KCECBJMMTLGLRU-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Br)ccc2OCCCO)c(OCC)c1 2322910824 NLJWMDWLAACDCW-UHFFFAOYSA-N 449.341 4.904 30 10 IJEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 2323126908 XBQMUCKWOIXTPL-UHFFFAOYSA-N 440.329 4.668 30 10 IJEE COc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1OCc1ccc(C)cc1 2323358237 FFMRNFNGBNNLEB-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 2324305750 WFGBDCMRTZDBAS-OAHLLOKOSA-N 433.435 4.857 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)c1 2324745374 FKEXGFSJHHCVPE-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)c(OC)c1 2324762456 YNKGZQBPSCHDOP-SFHVURJKSA-N 435.461 4.625 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)c1 2324825904 ZYLJUUOTGURFNO-INIZCTEOSA-N 431.444 4.813 30 10 IJEE CCCCCCOc1ccc(NC(=O)C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc1 2325559042 UKXVVJVPHVUSGP-UHFFFAOYSA-N 441.524 4.893 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)OCCOc4ccccc4)c3C)C2=O)o1 2325745162 IYHHURGRQNHHOX-UHFFFAOYSA-N 434.444 4.514 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3OC)c2)c(OC)c1 2325761587 FRYIZPBSBKOHSI-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1cc(C(=O)C=Cc2cc(Br)c(O)c(OC)c2)c(OC)cc1Cl 2325796606 HARWNBSFOQTKPM-UHFFFAOYSA-N 427.678 4.730 30 10 IJEE C=CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(O)c(OC)c1 2326943729 GWHXJRXPPYUWBV-UHFFFAOYSA-N 438.597 4.912 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(OC)c(O)c1 2327771853 SVPKKIQROJWMTD-UHFFFAOYSA-N 430.533 4.897 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cn(C)c2ccccc12 2328403754 ZUEJVUAKSKJGNB-UHFFFAOYSA-N 435.553 4.742 30 10 IJEE COc1ccc(C=NNc2ncnc3[nH]cnc23)cc1OCc1ccc(Cl)c(Cl)c1 2328810593 KTQPGCGHRWTQKG-UHFFFAOYSA-N 443.294 4.693 30 10 IJEE Oc1ccccc1C=Nn1c(COc2ccccc2)nnc1SCc1ccc(F)cc1 2329883777 QMJGLIXDSGCFPG-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)OCC(C)C)nnc1[C@H](C)c1ccccc1 2330136882 MDUAFJFDQXDBCG-QGZVFWFLSA-N 442.610 4.973 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2F)o1 2330668083 XSAUTALKKJHISJ-UHFFFAOYSA-N 436.468 4.638 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1OC 2330736156 HOVGRSZPURWKKQ-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 2331150399 ZQUMFKJIBOTGEU-IBGZPJMESA-N 445.855 4.627 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)c(O)c1 2331163151 CGZJEWCTEPYKJC-UHFFFAOYSA-N 446.813 4.675 30 10 IJEE COCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(C)cc2)cc1OC 2331281526 KXAYTKTVZBLUMC-UHFFFAOYSA-N 433.298 4.604 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1 2331440420 PYBWLZUDFGUTHI-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(N(C)C)cc1 2331449303 LJSDEDRNCJXLPK-UHFFFAOYSA-N 445.471 4.605 30 10 IJEE CC(C)Cc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(O)cc1O 2331478769 VOMNQKIQOMYYSL-UHFFFAOYSA-N 434.924 4.855 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccccc2F)c1 2331485144 VJONZCWVXLABSU-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE Oc1nc(CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2)nc2ccccc12 2331535312 HWUILMLOLBRXBC-UHFFFAOYSA-N 434.500 4.508 30 10 IJEE CN(C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1)C(=O)OC(C)(C)C 2339598377 BUCFFOXWTHWAOM-KQDNUWKFSA-N 444.381 4.751 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357064329 VHMCEWMVILCBKB-BIHRQFPBSA-N 448.416 4.509 30 10 IJEE C=CCC(CC=C)OC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2360214380 IAJGAZDRKIAXPP-SFHVURJKSA-N 438.362 4.949 30 10 IJEE C#CCN(C[C@@H](NCC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2362769552 YSSVAPMHBKNIAN-LJQANCHMSA-N 437.378 4.511 30 10 IJEE CC#CCN(C[C@H](Cc1cccc(C)c1Br)NCCC)C(=O)OC(C)(C)C 2363119567 CELABMIDNZPWCC-IBGZPJMESA-N 437.422 4.929 30 10 IJEE CC1(C)OB(c2ccc(NC[C@@H]3CCCCN(Cc4ccccc4)C3)c(C#N)c2)OC1(C)C 2364757899 NEXITGIGHANIPO-QFIPXVFZSA-N 445.416 4.572 30 10 IJEE CC1(C)OB([C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)C2)OC1(C)C 2368339002 ZVMDJQYSVKOAPF-SNVBAGLBSA-N 440.585 4.504 30 10 IJEE Cc1ccc(C)c(NC(=S)/N=C(\NCc2ccc(F)cc2)Nc2nc(C)cc(C)n2)c1 14156863 UBPFXSMUQJKKEU-UHFFFAOYSA-N 436.560 4.804 30 10 IJEE CCCCOc1ccc(/C=C2\S/C(=N\c3ccccc3C(=O)O)N(C)C2=O)cc1OC 16934096 BQNQASXPNFVWQC-YKQZMZHDSA-N 440.521 4.806 30 10 IJEE CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Nc2ccc(/C=C/C(=O)c3ccccc3)cc2)c1 17903619 NNURLGVEAMTISA-JLHYYAGUSA-N 443.455 4.686 30 10 IJEE C=CCn1c(SCCC(=O)NC(c2ccccc2)c2ccccc2)nnc1C(F)(F)F 20840098 AFBUIQUHTMXWDE-UHFFFAOYSA-N 446.498 4.871 30 10 IJEE C#CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 33088227 WFTMHNRREFUOFH-SFHVURJKSA-N 428.517 4.585 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)o2)c1 33408575 LCSIULZAJRVOQI-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE COc1ccc([C@](C#N)(CCCN2CCN(Cc3ccccc3)CC2)C(C)C)cc1OC 38907321 PZRMDDIKFADIAW-MHZLTWQESA-N 435.612 4.719 30 10 IJEE CC1(C)Cc2cccc(OCC#CCNC(=O)c3cc(Br)ccc3Cl)c2O1 90733283 WCADQSXFLILCES-UHFFFAOYSA-N 448.744 4.628 30 10 IJEE C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(CC)C2=O)cc1OC 100927789 SQJBQSMQEYNOHD-RLYGRLLTSA-N 438.505 4.582 30 10 IJEE CCOc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)c(Cl)c3)N(C)C2=O)c1 102406746 FDWSYQYVIFOGLR-QAYQYMSWSA-N 431.945 4.637 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCC[C@H](C)C2)C1=O 169979148 GVIUBPGHXZAXLT-SFHVURJKSA-N 427.545 4.767 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccccn1)c1cccc2ccccc12 169999549 PCUXVLSJKZEVRK-HSZRJFAPSA-N 446.466 4.894 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccnc1 170001953 XCKLAFSNZILXBV-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2F)c1 170069196 XEXXZCPMHDPXEB-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccc(O)c2)c1 170078979 RMUMYOGGFRHUTH-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc(O)c1)c1c[nH]c2ccccc12 170079703 WJYUKVIJNRSBTL-JOCHJYFZSA-N 446.409 4.935 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccco2)c1 170089939 PTCODNNYEASRQA-HSZRJFAPSA-N 445.471 4.786 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cccc(OC)c1 170120290 FFCNITWPTTXTRD-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC(C)C)c1 170148039 HLFHWKDNFIUUFX-HSZRJFAPSA-N 432.520 4.870 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccs2)c1 170159876 LKYSGICYLVKVKM-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(OCC)cc1 170214490 BECKVQGEFIOQMT-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2)c1 170222663 QYRMCFBKPIGZJQ-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170229136 UMEDFUIXZBBAOY-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 170239095 VOCVGGCKQWMQFK-QFIPXVFZSA-N 428.419 4.796 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1cccc(O)c1 170263328 CUNCCZIAVNRAHO-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1OC 170434265 MQQSAHZCGGUWBQ-FQEVSTJZSA-N 429.900 4.791 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccc(OC(C)C)c2)cc1 170475447 HISHMSAWGLPRQA-JOCHJYFZSA-N 437.536 4.993 30 10 IJEE Clc1ccccc1/C=C/C=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 252633840 WHBPKKYZXJNKAR-UJWIEJPGSA-N 425.968 4.617 30 10 IJEE O=C(O)COc1ccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 254295163 LLKMHYDZDXYSDG-QGJBXVFPSA-N 430.485 4.959 30 10 IJEE C=CCn1c(-c2ccccc2)c(NC(=O)OCC)sc1=NN=Cc1ccc(N(C)C)cc1 254707780 IXVJGRGGFFSAIZ-UHFFFAOYSA-N 449.580 4.972 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(OCc2ccccn2)cc1 484795643 HQHCQXFBBAUBKL-UHFFFAOYSA-N 433.556 4.726 30 10 IJEE COc1cccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)c2c[nH]c3ccccc23)c1OC 507989437 OBNHVPDJPDPZMS-NRFANRHFSA-N 446.551 4.652 30 10 IJEE O=C(O)c1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccccc2)cc1 526799125 BQIXEJUPZNFDKS-ONUIUJJFSA-N 442.544 4.936 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 574846360 IRQVISHALDUKNG-XMMPIXPASA-N 448.567 4.758 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 575789884 HUVUKOXCNUYATQ-UHFFFAOYSA-N 432.883 4.717 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 578726942 IDNPYEIBQMZBFI-ICSRJNTNSA-N 440.979 4.994 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 580727259 JBFJXEIMBJKJFY-DYLHXGEVSA-N 432.568 4.837 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618900867 KIDSRPQYMGNABC-SFTDATJTSA-N 444.362 4.813 30 10 IJEE C[C@H]1[C@H]2CC[C@@H](C[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709339835 CXKYEDJSEAAMQU-FSTVOOFJSA-N 448.568 4.994 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)Cc1csc(Cc2ccc(F)cc2)n1 735347819 NTJVTRCBZOORCZ-UHFFFAOYSA-N 430.888 4.715 30 10 IJEE C#CCN(C(=O)/C=C/c1ccnc2ccccc12)[C@@H]1CCOc2ccc(Br)cc21 735440610 HCRRWOCYHYHGRN-HWWNHIDJSA-N 447.332 4.996 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 800630731 DDVATNCQWYXHGT-UHFFFAOYSA-N 435.524 4.680 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccc2ccccc2c1 917698749 CNLBEYYDCCAOAB-NRFANRHFSA-N 433.533 4.829 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1ccccc1C(F)(F)F 1083992531 NCAUMGHFICROKU-VPSPARCESA-N 446.458 4.665 30 10 IJEE C=CCN(C(=O)c1cc(C)c(Br)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1128112909 YCKFPGACTGILMV-INIZCTEOSA-N 436.371 4.622 30 10 IJEE COc1ccc(OC(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1 1128923439 ABMQJBUGCQKKNB-UHFFFAOYSA-N 432.524 4.846 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1129127222 WXNMMKMHVNSJPL-UHFFFAOYSA-N 439.490 4.549 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC(C)(C)c2ccc(C)cc2C)nnc1-c1ccco1 1129371233 VEPBOISZGBHPIO-UHFFFAOYSA-N 438.597 4.917 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1 1131134217 FMMMDFUQRDTHGV-UHFFFAOYSA-N 439.924 4.679 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(O)c(C)c1)c1ccc2c(c1)OCCO2 1136697742 CZOQXJHJGKCVPE-UHFFFAOYSA-N 431.488 4.884 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 1137809134 TXDCSYGHOGAELP-SJLPKXTDSA-N 436.984 4.743 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 1140505308 NFSCMEPQTKUDOB-QFIPXVFZSA-N 440.588 4.943 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1 1141331828 XFWROQCJUBVCOI-FQEVSTJZSA-N 444.576 4.796 30 10 IJEE C=CC1(CC(=O)NCc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 1142603647 MFSGEQYFNKRJFW-UHFFFAOYSA-N 443.769 4.532 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)cc21 1157639601 GUYUDVHPYGUOGV-FQEVSTJZSA-N 446.454 4.611 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1166518095 KFDWXXZWRGEEDW-MBSDFSHPSA-N 442.581 4.751 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2CCc2ccccc2)n(Cc2ccco2)c1C 1167070289 FTLFLIVSHVJUIK-QFIPXVFZSA-N 430.552 4.654 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1167598961 YTOWYQQUCDBOGI-ZRZAMGCNSA-N 438.593 4.598 30 10 IJEE C=CCC1(O)CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)CC1 1178198463 KLFPSAKTNURJCZ-UHFFFAOYSA-N 446.887 4.592 30 10 IJEE CC(C)(C)[C@]1(CN2CCN(Cc3ccc(C#N)cc3)CC2)CCN(Cc2ccccc2)C1 1180402537 FVLJMLVZGJZBQN-NDEPHWFRSA-N 430.640 4.614 30 10 IJEE C#Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OCC)cc3)c(OC)c2)cc1 1203976277 KZRKNCWWCIZXDR-UHFFFAOYSA-N 430.504 4.705 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 1216727957 FWARTICVBALEQE-FQEVSTJZSA-N 427.980 4.944 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)NCc3ccnc(Oc4ccccc4F)c3)CC2)cc1 1227676323 GWFNIORCVYOAJB-UHFFFAOYSA-N 430.483 4.974 30 10 IJEE C#C[C@@H](NC(=O)NCCn1ccc2cc(Cl)ccc21)c1ccc(Br)cc1 1248516932 CVIOBGPZFQOXJQ-GOSISDBHSA-N 430.733 4.731 30 10 IJEE C=CCCC1(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCCC1 1252984364 QKWKSHVDVVFQSZ-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1286316283 HUELWCJHNRZCJO-IBGZPJMESA-N 447.539 4.804 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCN(C)[C@@H](C)CC 1286528602 HPBJQFBMTZRVKZ-FDDCHVKYSA-N 446.064 4.946 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)CCC 1286530440 MPTRDKHEONYFBP-CQSZACIVSA-N 448.409 4.928 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCOCC(F)(F)C(F)F)CC1 1286638118 UZRJUWYACROEBX-SFHVURJKSA-N 440.485 4.893 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)Oc2cccc(F)c2)CC1 1286650638 GWKBLCGDHAAYKK-VLCRHTCISA-N 442.579 4.960 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2sc(C)nc2C)CC1 1286664688 BBAHGVYGVBWGPX-UHFFFAOYSA-N 437.613 4.596 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(Cn2cncn2)CC1 1286695986 PLBGAGJVPBWMBQ-UHFFFAOYSA-N 446.386 4.726 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C)c(C)s1)C1CC1 1286732316 PMZPZEQFTRLENV-HNNXBMFYSA-N 427.549 4.834 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCN1CCCC(C)(C)C1 1286745828 IXNXGUQFUSEYMG-HSZRJFAPSA-N 437.632 4.834 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1286830859 VZIASADKPSPONA-RTBURBONSA-N 430.593 4.646 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCOC[C@H]2C)cc1 1287629737 DSNVTXBTHNYORY-SJBKTWHCSA-N 439.604 4.781 30 10 IJEE CCC(CC)c1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC#N)CC2)on1 1291976260 AZXVVBTYQKBGMW-NRFANRHFSA-N 426.565 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C(C)C)N1CCCC1 1300275504 VMDAMHGRAVSBNP-WWNPGLIZSA-N 437.632 4.613 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1300349717 YDYYQHCRSYOXKR-OAQYLSRUSA-N 443.555 4.511 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CCOCC)CC1 1300606213 IXBDWINMYLIPAA-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@H]1C(C)C 1300643810 USJWAPJMCMJFAD-OFNKIYASSA-N 436.531 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cc(C)cc(C)c1 1300901460 OELJDGUBFNCDFA-VWLOTQADSA-N 426.605 4.581 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1300980185 MYHSVULEKKXETN-SANMLTNESA-N 438.616 4.842 30 10 IJEE C=C(Cn1c(N(C)Cc2cccs2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1301009640 BSHDZXZXZFXEGD-DEOSSOPVSA-N 438.597 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCC(C)(C)COC)CC1 1301118960 QFNGXKOMAPIVJJ-UHFFFAOYSA-N 448.615 4.986 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1CCCCC1)c1ccccc1 1301162862 DKSHVBHSIFBCNN-QHCPKHFHSA-N 435.616 4.891 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1c(C)nn(C)c1C 1301178307 HVMRPGJNPRPPAJ-UHFFFAOYSA-N 429.572 4.836 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC)[C@@H](C)C1 1301178641 QRMDVGORHYBRHR-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301199077 WKILWAMYOULGRM-FQEVSTJZSA-N 436.629 4.963 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CN(C)C(C)C)CC1 1301206420 BEJBYPLKGUNPTC-UHFFFAOYSA-N 447.631 4.858 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC(CO)CC1 1301208522 YHOYYVSAHZPWMO-UHFFFAOYSA-N 426.561 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](c1ccsc1)N(C)C 1301278090 DQVPJNSPOLFEPL-GOSISDBHSA-N 446.418 4.694 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@]1(C)CCCS1 1301341776 PVAOCMKFOGMBMZ-VWLOTQADSA-N 444.608 4.614 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(SCC)c1 1301349545 PFIQKVUCOOPLTM-OAQYLSRUSA-N 435.597 4.530 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccsc1)N(C)C 1301397645 ZMACKAKXLBDOTM-QHAWAJNXSA-N 443.661 4.740 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CCCCC1 1301399742 UCCQXXCVSCQUJC-AREMUKBSSA-N 433.600 4.840 30 10 IJEE C=CCOc1c(Cl)cc(CNCC2(c3ccc(OC)cc3)CCOCC2)cc1OC 1308224013 BYEDZZSZRDOVOS-UHFFFAOYSA-N 431.960 4.760 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC([C@@H](O)c3cccc(OC)c3)CC2)cc1OC 1308889581 RXEDIRIAAOOCKE-HSZRJFAPSA-N 431.960 4.868 30 10 IJEE CC(C)(C)[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1cccc(F)c1 1309103725 FNCBTOZFIAPAFH-QGZVFWFLSA-N 443.313 4.665 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(C)C 1311387618 CEXVTIJKBJOQML-WZONZLPQSA-N 429.008 4.676 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2)[C@H]1CCCc2ccccc21 1312135702 REBZECOCASKUOY-VSDWSMLSSA-N 431.536 4.580 30 10 IJEE C=CCCCCCCNC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1312392815 LOWHMVMCGUDHCV-LJQANCHMSA-N 425.495 4.632 30 10 IJEE C=CCCC[C@H](NC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1)c1ccccc1 1313217899 AQNNUFWGTSGCAZ-VWLOTQADSA-N 432.612 4.738 30 10 IJEE CC(=O)[C@@H]1CC(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)=NN1c1ccccc1 1349542361 GOWSRYJBOAFHCS-IERDGZPVSA-N 448.592 4.933 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCCN1C(=O)OC(C)(C)C 1349850650 YLTHATCPAUKFKO-VWLOTQADSA-N 447.539 4.705 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1350407396 MDPOQIYVNRKTCQ-GFCCVEGCSA-N 427.328 4.762 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)c1 1354644967 CDWVCHKBJCUWEG-UHFFFAOYSA-N 448.526 4.540 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 1356299929 AGCMGXPMQYMUGM-UHFFFAOYSA-N 434.467 4.581 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 1357547150 CQQPINDVAGMZAE-XMMPIXPASA-N 449.913 4.820 30 10 IJEE C=CC[C@]1(C(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1357641018 QDHAWVKYLQYELV-RUZDIDTESA-N 444.572 4.604 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1358879028 JOQIPFRPHNCGFR-IBGZPJMESA-N 439.604 4.613 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](CC)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1359196089 XFLOQRFWLRIHIS-HNVPCBRESA-N 438.616 4.917 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCCOC1 1359223481 MGIUJYWBFFKBBS-RTBURBONSA-N 444.645 4.587 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359244008 MSFWBYUPUVRFJU-NHCUHLMSSA-N 425.621 4.544 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1359285948 FOAOGSJSAVMXEI-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@@H](COC)C1 1359308953 DECUYFSJCVONAR-HXUWFJFHSA-N 436.556 4.713 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1435623068 WXRZRZYHDLPTLN-OAQYLSRUSA-N 447.000 4.952 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)C(F)(F)F)cc1 1436239304 NNHPRMNVBQUGPS-FQEVSTJZSA-N 445.418 4.909 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1438139053 CHWHEJUETNNSDJ-OAHLLOKOSA-N 441.409 4.848 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(N[C@H](C)c4ccccn4)c([N+](=O)[O-])c3)cc2n1 1439617579 LRJLZLVNIMQXLH-MRXNPFEDSA-N 442.479 4.951 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 1439952741 UQIGSWCJRDOQBX-NDEPHWFRSA-N 433.942 4.722 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccccc1 1439953983 KOXGSRXUGFICDQ-KEEVHDRGSA-N 428.554 4.567 30 10 IJEE C#CCC1(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)CCCCC1 1446822505 GYTDUKIXRGYBSV-UHFFFAOYSA-N 429.608 4.964 30 10 IJEE C=CC1(CC(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CN(C(=O)OC(C)(C)C)C1 1450824403 HQSQLWQTDVMTOV-UXHICEINSA-N 428.573 4.504 30 10 IJEE C=C(C)CONC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1452755415 JEJJPGSESYQYJI-UHFFFAOYSA-N 430.570 4.639 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccnc2C2CC2)nnc1-c1ccc(Cl)cc1 1456934617 PJRLNKXIUNGSLZ-UHFFFAOYSA-N 425.945 4.788 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(-c2ccncc2)cc1 1457339278 AWULNYXLEZZGKY-IERDGZPVSA-N 444.922 4.504 30 10 IJEE C=CCn1c(SCc2cnn(CCF)c2)nc2scc(-c3cccs3)c2c1=O 1458772354 RKCKXCOGLRFAEZ-UHFFFAOYSA-N 432.571 4.831 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3ccc(CC)c(Cl)c3)CC2)cc1OC 1459984768 HGRGIFRTYYVVIP-XFFZJAGNSA-N 440.971 4.838 30 10 IJEE C#CCN(C(=O)c1cc(I)ccc1C)[C@H]1CCCc2ccccc21 1463009968 SRFMUEYLWGTBIF-FQEVSTJZSA-N 429.301 4.753 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1ccccc1 1463269037 DFIPYOSXSUGZPK-LJAQVGFWSA-N 426.563 4.813 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1 1466244695 WQAKCBPFKWGZKC-QFIPXVFZSA-N 445.544 4.685 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(Br)cc1 1466497431 ODAVAGODAVNEDM-INIZCTEOSA-N 433.103 4.579 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)nc1 1467096875 BYJFXZCMNYQICD-IBGZPJMESA-N 425.261 4.766 30 10 IJEE CCOc1ccc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(C(F)(F)F)c1 1476043827 BYZDSUDJODKICH-UHFFFAOYSA-N 446.473 4.762 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCCC(=O)Nc3cc(Cl)cc(Cl)c3)cc21 1477134762 LGRCMHAVOBVQHP-UHFFFAOYSA-N 432.311 4.679 30 10 IJEE CN(C)C1(Cn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CCCC1 1503392098 DYXLZDIEFKWBAK-UHFFFAOYSA-N 432.616 4.615 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507579288 RCMIXYJQDPHBLJ-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(C)C)cs1 1507662266 HMFDADWDJXZDAB-UHFFFAOYSA-N 429.549 4.782 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1Cc1ccc(OC(C)(C)C)nc1 1507701230 AGKNGIZQRGWCCO-UHFFFAOYSA-N 449.574 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCCN1CC 1507823581 LREWHJYOMSDNRN-QFIPXVFZSA-N 425.621 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OC(C)C)CC1 1507911500 MHWJVYQYOYICMR-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 1507925831 JKKZODDXQJKFNV-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1507929553 QURWNAWYFXFYEE-QHCPKHFHSA-N 437.632 4.531 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1Cc1cc(Br)cs1 1507985487 FYGJMLHNGQRJIK-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)(C)C 1508008960 LZCFUFWMGVARES-UHFFFAOYSA-N 441.557 4.923 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1CC[S@@](=O)CC 1508009733 YIKKJVHWCVRTIC-NDEPHWFRSA-N 435.018 4.621 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2CC[C@H]1C2 1508150326 JAVVSMOKSAYAPU-GJZGRUSLSA-N 449.418 4.624 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1509945033 AYNAFMUYBHJEKN-LJQANCHMSA-N 448.615 4.926 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)cs1 1517754402 DQNAQPOEAAOLMB-BRWVUGGUSA-N 436.585 4.654 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2CC)c(OC)c1 1520341382 XQTTVEZDVJMWTQ-UHFFFAOYSA-N 425.916 4.843 30 10 IJEE COc1ccc(-c2nc(C)sc2CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 1520731183 DXUBATAPXKYXQH-UHFFFAOYSA-N 429.545 4.857 30 10 IJEE CCOc1ccc([C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C(C)C)cc1OCC 1525042485 DULWEAJMGOLQFO-IBGZPJMESA-N 435.446 4.897 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(OC2CCCC2)c(OC)c1 1525050162 NQTVQEFQRGZQIL-UHFFFAOYSA-N 440.492 4.760 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1526560133 HCKAIRZPDHRFCX-IFXJQAMLSA-N 443.462 4.830 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 1528060846 JMGOSXLQIMCSQZ-RTWAWAEBSA-N 440.996 4.643 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccc(Cl)cc1F 1528110095 WPJCPAXVEFSUPT-ICSRJNTNSA-N 446.906 4.544 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@H](C)SCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1530086663 PCBOWDLLATUWRH-HOTGVXAUSA-N 437.590 4.557 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NCc2ccsc2Br)cc1 1530258402 BGKCYFYMQYPELD-UHFFFAOYSA-N 427.323 4.891 30 10 IJEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)CCCC1 1532538524 KEFSEMMLAABCSZ-UHFFFAOYSA-N 426.582 4.686 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1 1534344127 ONCGXYUHNGNXBL-FXAWDEMLSA-N 427.342 4.626 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 1534346914 ATUCZHDFMVKJCS-HSZRJFAPSA-N 444.462 4.840 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 1537883391 MLOPZMCFQIXURU-VWLOTQADSA-N 428.573 4.576 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CCCC1 1538896075 PHQGPFUWTIPYHC-WOJBJXKFSA-N 432.630 4.610 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539109821 VRIWYZXCWBPVEY-CQSZACIVSA-N 441.295 4.900 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCC1(COC)CCCC1 1539390890 XQCUHNPGGLFGGU-UHFFFAOYSA-N 435.547 4.649 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1539643531 MNABWTJKWHMHHR-KCESLBEFSA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(N(C)C)c1 1539651173 AZNAEIDRMRGQEP-UHFFFAOYSA-N 443.393 4.552 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC1CCCCC1 1539722406 NGBBITQFQPMZBZ-UHFFFAOYSA-N 439.604 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1539924737 YCRDBYJQGYNZTN-UHFFFAOYSA-N 447.612 4.750 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@H]1OC 1540140159 KNNNWEIYKCQXAU-RBBKRZOGSA-N 433.581 4.886 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H]21)C(C)C 1540146839 FTVUTVFXTKNFSZ-RBZQAINGSA-N 430.600 4.504 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(F)(F)Br 1540154753 DGNZIPUOWUDSJF-CYBMUJFWSA-N 445.283 4.723 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCCC)cc1 1540876970 HPCLXUISIGSUCV-UHFFFAOYSA-N 444.377 4.885 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)cc(OC)c1OC 1544363587 UQHKAILZYZPFCK-UHFFFAOYSA-N 432.520 4.582 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)c1nc(C)cs1 1545740711 CESFIWVURAUWSR-HFXUHXBXSA-N 438.576 4.831 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1 1556473789 NFUNCOZRNKPISX-FQEVSTJZSA-N 426.358 4.887 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 1556967746 NVMMAUYCIOSAES-UHFFFAOYSA-N 433.258 4.524 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCCC[C@@H]3[C@@H](O)c3ccccc3)c2C#N)C1 1559642943 HNCRRGRHHRZBQV-JKHABCDFSA-N 437.609 4.661 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 1561212758 GZSBLBXZBJWLJI-HXUWFJFHSA-N 432.973 4.690 30 10 IJEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ccc(CCC)cc1 1561260843 OSEYUDUJGKWMJW-HXUWFJFHSA-N 448.382 4.549 30 10 IJEE C=CCc1cc(CNC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)cc(OC)c1OC 1563815202 ZCCFUQHOSCBSPS-UHFFFAOYSA-N 439.943 4.766 30 10 IJEE C#CC[C@@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)c1ccccc1 1564385925 VMYJVRNEHNUUGI-OAQYLSRUSA-N 430.458 4.843 30 10 IJEE C#C[C@H](NC(=O)N(CC)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)[C@H]1CCCO1 1564603927 USQFLTJDTNQZFD-LOSJGSFVSA-N 434.580 4.903 30 10 IJEE C=CCN(CCC#N)C(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1569599667 HGLFBKGAYXRNEM-QGZVFWFLSA-N 426.344 4.830 30 10 IJEE C#CCSc1ccc(COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 1585106294 QCOQATRFCWAJHB-UHFFFAOYSA-N 430.938 4.951 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1ccc(C)c(OCc2csc(Br)c2)c1 1587381660 BDNNJYRFPMENGQ-QGZVFWFLSA-N 436.371 4.556 30 10 IJEE COc1cccc([C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)N(C)C)c1 1587431473 GGMOFVCYKPJTLT-DEOSSOPVSA-N 429.520 4.700 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccc(OC)cc2)CCC1 1587594498 XKELGIGQYIABMZ-KRWDZBQOSA-N 435.959 4.582 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1cscc1C(F)(F)F 1587673293 MQQINFQPEFHXHC-CYBMUJFWSA-N 438.450 4.583 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1587838481 WRGJFGCXGHLZTQ-QGZVFWFLSA-N 443.979 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCC[C@@H](C)C1 1589687972 VSMZKDOHIKKUJN-OAQYLSRUSA-N 425.621 4.608 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](CC)N2CCCC2)CC1 1594128162 MHWVZKNOKRJZJY-FQEVSTJZSA-N 429.996 4.541 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)cc2C)CC1 1594133600 AHUIZJBYBQFVBN-DHIUTWEWSA-N 437.632 4.776 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 1594591299 RAYYFSOSIYHBEH-KRWDZBQOSA-N 444.885 4.731 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1594651125 HIGNKNCPUQIJQL-JOCHJYFZSA-N 438.616 4.962 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC(Cn3cc(C)cn3)CC2)nnc1C(C)(C)C 1595664790 KCLYQGBIOGUMAS-UHFFFAOYSA-N 448.615 4.610 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)/C=C/c1ccc(OCCN(C)C)cc1 1596887327 ZHDBTYJWBLGYJE-KPKJPENVSA-N 445.357 4.606 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c(Cl)c1 1611217176 CJYMZHYZIYZOSP-INIZCTEOSA-N 440.124 4.841 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCOCC1)SC 1613489069 FYIOKRZOSYHYIA-UHFFFAOYSA-N 427.618 4.601 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(C(=O)OC)oc1CC 1613655247 SNIGRCBPCURXNL-UHFFFAOYSA-N 427.526 4.586 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H]1C 1614758353 AVOIPWGXFSFPLC-HXUWFJFHSA-N 448.640 4.822 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](c2cccc(Br)c2)C1 1618026486 DAEQOBRKXSYHFN-CJNGLKHVSA-N 432.749 4.791 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc1Cl 1618638362 UVNQUOPKOMGOJU-CYBMUJFWSA-N 435.417 4.935 30 10 IJEE COC[C@H](C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N 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446.308 4.679 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)cc2n1 1675013220 WRDPIIIPRUJBDW-UHFFFAOYSA-N 441.576 4.723 30 10 IJEE CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1678153935 BBPDTWLLZFNSGA-YADHBBJMSA-N 448.615 4.632 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1681459042 RDETXFBZIKUYED-DHIUTWEWSA-N 441.641 4.597 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)NCCCCN(OCc1ccccc1)C(=O)OC(C)(C)C 1686807782 KJMUHJKKEDEDSM-OAQYLSRUSA-N 431.577 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@](C)(O)C(C)C 1689837189 ANDFLHYCKUPQFP-HJPURHCSSA-N 426.561 4.678 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CCSC 1689918220 VKIZINFUTMBTCA-ZDUSSCGKSA-N 427.437 4.760 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OCCCC 1689952699 POGBOMYZHVRDJD-UHFFFAOYSA-N 431.584 4.934 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC1(CCOC)CCC1 1690090006 SOIUGWSVOSXVOG-QFIPXVFZSA-N 440.563 4.505 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)CC[C@@H]1C 1690161793 QFVXLDCPSMUFAQ-KGLIPLIRSA-N 439.448 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)c1c(C)noc1C 1690261753 YRCACJANEGCQHS-SFHVURJKSA-N 445.571 4.942 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCN(CC)C(=O)OC(C)(C)C 1690267171 VZLSBSYFJOWJOH-UHFFFAOYSA-N 445.583 4.667 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1690503048 NSAARNSFGKPNCR-HXUWFJFHSA-N 439.947 4.633 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1C)C1CC1 1690538139 BBMAUQMOQNMFKU-UHFFFAOYSA-N 426.362 4.558 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC[C@H](SC)C1 1690636084 FSHWAAHGFVNIBH-HNNXBMFYSA-N 437.407 4.624 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690738111 GBXCRLGLHZNRJI-CJNGLKHVSA-N 446.926 4.674 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCc2sccc2C1 1690749403 BWANOKQELUHGRP-UHFFFAOYSA-N 426.611 4.709 30 10 IJEE CCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)CCCC1 1696089991 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IJEE COc1cc2c(cc1Cn1c(N(CCC#N)CCC(C)C)nnc1C(C)(C)C)O[C@H](C)C2 1730026495 FZRJCVJZKAZPFS-GOSISDBHSA-N 439.604 4.722 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCC[C@@H]1C 1740539356 OSNQRDNGEIYWJQ-AABGKKOBSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1740559493 PGYFXIMHKYPERH-RCCFBDPRSA-N 433.021 4.887 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740568266 DKMISOZCKYUMDH-QFIPXVFZSA-N 435.616 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC[C@H]1CC 1740732701 NGKQGEKSNXWQCI-RCZVLFRGSA-N 440.035 4.779 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1740747900 AAMZTYJPPYMETH-SFHVURJKSA-N 433.394 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740750370 BNTKSOMLXWEBSP-GIVPXCGWSA-N 430.980 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)c1ncc(C)s1 1740769357 WGNCIZZQKXNNHK-INIZCTEOSA-N 441.601 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC(F)(F)CO1 1740777377 WZYSKTOHCPLVDJ-FQEVSTJZSA-N 448.558 4.981 30 10 IJEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1740897816 VYMWSSYWEAVVIK-KBPBESRZSA-N 432.450 4.510 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC1(OC)CCCCC1 1740915036 RVEBUPZXWUWLDC-UHFFFAOYSA-N 442.567 4.754 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccc(OCC(C)C)c2)n1 1742327832 HNENMHBGWJTEJV-AREMUKBSSA-N 444.583 4.862 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@@H]1CCCCO1 1748647298 MQLATSUEYRKWCB-XLIONFOSSA-N 435.597 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CCC1CCOCC1 1748680278 PLPOMFOSLOVEJF-IBGZPJMESA-N 445.007 4.526 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1 1748722016 RXXKCMZBYYWYSR-QFIPXVFZSA-N 436.531 4.892 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC1(CCOC)CCCCC1 1748837536 HJSRGEZFKYIKOF-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC(C)C)c1 1748939263 WKYHSHLYXYFIPM-DHIUTWEWSA-N 438.616 4.739 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1749083321 DBYOUCJMIBZPQQ-YOEHRIQHSA-N 447.377 4.813 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)C1CCC1 1749119809 XGZYOHGAESXTET-MSYCTHLASA-N 440.588 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1CCCCO1 1749153533 YCJNALFXBICQRP-QHCPKHFHSA-N 434.588 4.883 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC[C@@H]1CCCCO1)C1CC1 1749511586 XXNCHUZQYJQANE-HNNXBMFYSA-N 437.407 4.883 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H](C)c1nccs1 1749546918 GOSRKNXWTOBCQX-GOSISDBHSA-N 448.571 4.856 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1749586440 VOBKMKVMGZGPHE-NHCUHLMSSA-N 427.637 4.986 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1749596367 XDKABICOPCGLQQ-GOSISDBHSA-N 437.441 4.533 30 10 IJEE C=CCSCCn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1749763617 DOERMFDFVOQZQB-FPOVZHCZSA-N 426.630 4.529 30 10 IJEE Cc1nc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)sc1C 1751333086 DHHRTFVDTQVKQD-ZBFHGGJFSA-N 442.564 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CSCCS1 1760105059 ALSLINQYUDCHSS-TZMCWYRMSA-N 427.426 4.558 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C2CCC1(C)CC2 1760276713 NAKKIAOAHFOPMH-UHFFFAOYSA-N 449.393 4.734 30 10 IJEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1760283598 SVRRRTDETSLIFY-OAQYLSRUSA-N 438.641 4.597 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC=CO1 1760289111 MFLDWGTWRCPVGN-XTQVGHSUSA-N 426.948 4.756 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1760346494 FUCXMLFCMCHAFH-UHFFFAOYSA-N 448.590 4.722 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760349965 LLXODLZSYWYZBZ-QGZVFWFLSA-N 443.567 4.668 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760371198 RKWVOTAQMDSVFK-QMTHXVAHSA-N 435.277 4.994 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1760420129 JLPJTUZPLGEMIP-BJKOFHAPSA-N 445.611 4.875 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](C)C1 1760426665 ZNDNJOZYXOGVRZ-LJQANCHMSA-N 434.588 4.658 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)N1CCC(C)CC1 1760477438 ADANHKYEVQTKTH-NRFANRHFSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@@H]1CCC(F)(F)C1 1760479567 TYCUEWOGQXBLNC-HXUWFJFHSA-N 436.510 4.783 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C(C)C)C1 1760483255 KRSSMYHBTHOHJY-OAQYLSRUSA-N 448.590 4.792 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1=CCCCC1 1760497812 SKNHSFODJFSETQ-BGYRXZFFSA-N 427.593 4.728 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@H](C)C1 1760504646 XALCZURPYITZNG-HZPDHXFCSA-N 439.387 4.706 30 10 IJEE CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N(C)[C@H](C)CC#N)c1cccnc1 1760880302 DMWDOLKWHCXXFC-UYAOXDASSA-N 436.535 4.569 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@H](C)C#N)n1 1762211456 HTRBUPKQDIYPOW-HZPDHXFCSA-N 431.569 4.658 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861210488 XOMMLGMXHQKJMC-GMAHTHKFSA-N 447.639 4.799 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862413571 GSTXEOZBTSZFFP-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Cl 1862416298 FQJLTJXCNNBLOJ-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862515169 ALPWLFVQHKBSRB-UZUQRXQVSA-N 437.536 4.558 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862533772 OMWAHJXPLCMCCH-XMMPIXPASA-N 445.490 4.915 30 10 IJEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(O)c2)cc1 1862555598 XSQKGCFUZKJYCZ-GYCJOSAFSA-N 442.515 4.876 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862662188 UUFNKWCYRDESMV-HSZRJFAPSA-N 432.520 4.906 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862665093 YYQSQPWIXNLIEC-QFIPXVFZSA-N 445.471 4.880 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862678561 OGVZJOFAQHUGJH-QHCPKHFHSA-N 449.526 4.617 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862695053 ZBIMUDZAOMDGIR-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccccc2C(=O)O)c1 1862702412 ZHCBMQHUCNQKCB-GNSUPJDDSA-N 449.503 4.550 30 10 IJEE COc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)c1 1863065988 HAHAIKYVOIMYRQ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2c[nH]c3ccccc23)C1=O 1863128471 BCKZIQSKQGLFMY-UHFFFAOYSA-N 448.482 4.753 30 10 IJEE CCc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863131633 OKOIEBSOWYEHQG-UHFFFAOYSA-N 432.483 4.999 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863446535 BUAZHPSJHRIUGG-UHFFFAOYSA-N 437.927 4.610 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3c(C)cccc3C)sc2c1 1866198537 CGSPIWTXCYPKNA-UHFFFAOYSA-N 441.578 4.528 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)cc1C 1870145020 QYZXJPQEBMEYRF-UHFFFAOYSA-N 425.492 4.707 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871395919 CLLFPSIEFAJGCK-QCYAWUEASA-N 446.547 4.545 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871442218 GFRPUGMTQNZYTP-YVLHZVERSA-N 426.881 4.739 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 1871443072 YLZIFGNYTFXTLB-YVLHZVERSA-N 426.881 4.739 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1 1871443684 CHEXCKIOVDNRRU-FMCGGJTJSA-N 449.890 4.660 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871456093 LWOIYOILSCTFBM-UUYOSTAYSA-N 430.416 4.537 30 10 IJEE Cc1c(OCC(=O)Nc2ccccc2F)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871460192 ZQIGKIXZQUTWJF-UCQKPKSFSA-N 446.478 4.834 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1)S(=O)(=O)CCC 1871802076 WFJSQHOWZCHRQA-NRFANRHFSA-N 434.989 4.946 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 1871835807 SMDOHUSMQBUMCZ-QFIPXVFZSA-N 446.638 4.747 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 1871876020 HNMBDJMIOGNMCC-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(C)(=O)=O 1872164814 HWKJTNDFZLVHCX-JOCHJYFZSA-N 438.634 4.981 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(F)cc1 1872226447 MATSGUUUWZXIDY-OAQYLSRUSA-N 432.561 4.717 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872251900 AGMGDSYDXGXYAE-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N3CCC(C)CC3)cc1)n2C 1873656203 SQMIKQLNIHMKSC-UHFFFAOYSA-N 444.583 4.635 30 10 IJEE COc1ccc(CCc2nnc(SC)n2/N=C/c2ccc(C(C)(C)C)cc2)cc1OC 1874218310 FNSMMPZTPGTVJW-PCLIKHOPSA-N 438.597 4.982 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874321361 NUQAEYZMGPAUQA-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1F 1874429277 ATHFCKNKZSGDLD-PCLIKHOPSA-N 439.560 4.707 30 10 IJEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)ccc1O 1874446025 QTMUOSJLSDKXCM-AFEQLLIESA-N 438.553 4.635 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(C)cc2)o1 1874466647 TVXPOMHWHLMVOM-YDZHTSKRSA-N 436.493 4.791 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccccc1F 1874479508 DECSUEHLUUVNQP-ZMOGYAJESA-N 436.516 4.583 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nncn1/N=C/c1ccc(Cl)cc1Cl 1874537263 WAGRJGBVCMFNEW-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)o1 1874596756 BQNVABPPEPTJGQ-DHZHZOJOSA-N 436.460 4.949 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875094511 WOWROFSMDFCWLC-ZHACJKMWSA-N 442.424 4.893 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(N4C[C@H]5CC[C@H]4C5)cc3)ccc21 1890684466 AZIRVMQIVTUUGS-AVRDEDQJSA-N 445.563 4.865 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@](NC(=O)OC(C)(C)C)(C(C)C)C(F)(F)F 1939658038 SNBYQGBYAMNACN-GHTZIAJQSA-N 430.511 4.829 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2068005572 WAARIOGYIYLYFH-FXSPECFOSA-N 446.632 4.524 30 10 IJEE CCc1nn([C@@H](c2ccc(C)cc2C)C(C)C)c(I)c1/C=N/O 2079015423 UOCMKCVFQFQIPY-YEWRBRKMSA-N 425.314 4.720 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079874494 FYEDJSDSONLYIO-MRXNPFEDSA-N 437.325 4.911 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c(C#N)c1I 2079936691 NECGNTOVYYGIDC-SSDOTTSWSA-N 441.141 4.925 30 10 IJEE Nc1cc(-c2c(F)cccc2C(F)(F)F)nc2c(Br)c(C(F)(F)F)nn12 2081243579 ARGQFXGLFNKLGW-UHFFFAOYSA-N 443.120 4.918 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)[C@H](C)c2cc(Br)cs2)C1 2130039265 SVPSDNSAPUDIPK-CYBMUJFWSA-N 443.407 4.891 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCNc1cc(Br)cnc1C#N)c1ccccc1 2167616133 HWOQQXXDYVEWAL-MRXNPFEDSA-N 431.334 4.784 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)cc(F)c2C#N)C2(CCCC2)C1 2174810703 PIXNSHIVLACYHI-CQSZACIVSA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](C(=O)Nc2ccc(Br)cc2C#N)C1 2181104187 WTZRVBJYZKPJGI-HNNXBMFYSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CCCNCCC1(F)F 2196986186 CPKZXBGFJKZHKI-SFHVURJKSA-N 444.320 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C#N)(c2ncc(C(F)(F)F)cc2Br)CC1 2232220805 WZQJPEYMQZDMDR-UHFFFAOYSA-N 434.256 4.655 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2235722515 AHMKBHXUMGUBJX-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE C=C(c1ccccc1)[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237392256 YNOUCZGHVUJACG-WOJBJXKFSA-N 432.358 4.959 30 10 IJEE COc1ccc(C#N)cc1CNc1ccc(Br)cc1I 2240339537 RFBPUGWMQMIFTB-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE N#C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243917631 VFHDBTZKPYCSJJ-VWLOTQADSA-N 445.563 4.894 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@H](O)CC#CC2CCCCC2)C1 2248459840 BWHAVHFYAIDHKG-HSZRJFAPSA-N 427.585 4.775 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCCCC[C@H]1NC(=O)OC(C)(C)C 2261830584 YEHBZIBEWCQLEJ-PXDATVDWSA-N 447.572 4.847 30 10 IJEE C=CCC1([C@@H](NC)c2cc(OC)c(Br)s2)CN(C(=O)OC(C)(C)C)C1 2263738169 AISITJGMSNBVFG-AWEZNQCLSA-N 431.396 4.593 30 10 IJEE C=CCCC1([C@@H](O)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266234978 XGNOUUSLKIRXIH-INIZCTEOSA-N 432.305 4.964 30 10 IJEE C=CCCC1(C(=O)N[C@H](C)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2266314102 ANMHWAWWLKYHOT-CYBMUJFWSA-N 443.407 4.891 30 10 IJEE CC1(C)OB(c2cnc(Nc3ccc(Br)cc3Cl)c(F)c2)OC1(C)C 2269007857 PKRDYHVLNWUNBO-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(Cc1ccccc1)c1ccccc1 2269713179 NGRGEWZZGWVLTI-UHFFFAOYSA-N 428.341 4.536 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCCCN1C(=O)OC(C)(C)C 2296292887 DCSDKGQZZWYXIB-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CCc1ccc([C@H]2C(=C(O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 2296348677 KAQMBPBZAUZKEA-SZNDQCEHSA-N 446.528 4.655 30 10 IJEE C[C@@H](CCCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317358294 KPJQCUDDIXCBTP-CLVCIHKQSA-N 432.370 4.798 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCC(=O)Nc2ccc(C)cc2)cc1 2321250805 ITSNTKOBEINHDJ-UHFFFAOYSA-N 437.569 4.769 30 10 IJEE COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1OCC(=O)NCc1ccccc1 2323118170 ZNIIHRGTDXFMCL-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE CCOc1cc(C=NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1F 2323446867 QURXTSNXYJFMOY-UHFFFAOYSA-N 427.497 4.920 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(OC)cc4OC)ccc3C2=O)c1 2323767735 ONCRCZJZKZBMNT-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE Cc1cc(OC(=O)c2cccc(OC(=O)C(C)C)c2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323907892 NUSUANMVVQAJDF-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1cccn1C 2328692667 AMJAONMKVGSHER-UHFFFAOYSA-N 445.592 4.627 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1c(F)cccc1Cl 2330520702 JXSMGKXVXDLOQK-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccnc2)c1 2330548548 FQSMGRNCSOWYFL-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(O)c2)cc1 2331046541 PNHKXOLIWMHBGU-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE Cc1cncc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2Cl)c1 2331398799 MGIGXRNRCSXWRB-UHFFFAOYSA-N 435.863 4.930 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccccc1F 2331443941 QEEQXPUCMDHQNF-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2)c(C)c1 2331712727 BHSKCIBLEAOZPQ-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)c(OC)c1 2331725164 VCNKOGHUZOZYGU-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE CC#CCN(C[C@H](NCCC)c1cc(OC)c(Br)s1)C(=O)OC(C)(C)C 2337902849 BBSQMUPKTWFXRO-AWEZNQCLSA-N 445.423 4.820 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CC1CC1 2339597881 VMJYRCZTIWRBLG-HYSAVQALSA-N 444.381 4.798 30 10 IJEE COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cccc(N4CCCC4=O)c3)c2)cc1 21629913 YDOVCMPZZIGMPC-XNTDXEJSSA-N 440.499 4.970 30 10 IJEE COc1ccccc1/C=C1\S/C(=N/N=C\c2ccc(O)cc2)N(Cc2ccco2)C1=O 47137372 IMNNYTFQTBAKDS-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE C=C(C)COc1ccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1 66062272 YYHOYADEGKMKLU-UHFFFAOYSA-N 429.520 4.622 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1cccc(F)c1 100263355 DFMPUMVIBPTJRU-ACNSNUFOSA-N 426.300 4.723 30 10 IJEE O=C(C[C@@H]1S/C(=N/c2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccccc1 101573934 KVCGORYRTLNUDZ-BPMVYWJCSA-N 433.508 4.986 30 10 IJEE Cc1cccc(N2C(=O)C[C@H](S/C(=N/c3ccccc3)NCCc3ccccc3)C2=O)c1 105533115 JBHNSJNDUJRDPM-QHCPKHFHSA-N 443.572 4.880 30 10 IJEE CC[C@@](C)(C#N)C(=O)Nc1c(Br)cc(Br)cc1Br 136184852 CMHYJMZVWOVXAF-LBPRGKRZSA-N 438.945 4.852 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1 169991082 LWGRBTHCDFVTSK-NRFANRHFSA-N 433.895 4.584 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170031405 BUCBGAIHCBLQRJ-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 170057123 NHLZJKMMERQFOS-IBGZPJMESA-N 434.319 4.997 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1C 170058222 QPQBREOVUSKEDI-TZIWHRDSSA-N 425.912 4.714 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2C[C@@H](C)O[C@H](C)C2)C1=O 170069811 JKKQJIVGDNFESG-QZTJIDSGSA-N 432.992 4.890 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)CCO2 170081617 XUXRUBPSBHIXNO-QFIPXVFZSA-N 447.874 4.763 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170103028 MRTTVDFTCRJZMX-XMMPIXPASA-N 433.479 4.867 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC)c1 170112100 YRVBTGXIJGHGJB-HSZRJFAPSA-N 448.519 4.572 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170206666 KPMXXFKYQWVJCG-LJQANCHMSA-N 426.806 4.796 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(OCC)cc1 170214038 IQRZPJQHSJCQBH-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)cc1 170242004 MNCQPODHEHWHAA-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F 170250411 FAOLGNBCAPEHPI-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccco2)cc1OC 170282612 JTGYFTJZOLRULG-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccc(C)o2)cc1 170301517 WBNNZSJIACMRCK-QHCPKHFHSA-N 445.471 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(C)o2)c(OC)c1 170303764 FCGSORNWEIVJSW-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1cc2sc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3cccnc3)nc2cc1Cl 170482718 ISZOFRITOFXIQM-KRWDZBQOSA-N 427.913 4.778 30 10 IJEE COC(=O)C[C@@H](O)CC(=O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 209640892 BTBIITIDSIXJKU-SJFMBGHLSA-N 433.479 4.815 30 10 IJEE C=CCCCCCCNS(=O)(=O)c1cc(Br)c(C)cc1Br 314505087 SFEVLCBPETUHMA-UHFFFAOYSA-N 439.213 4.935 30 10 IJEE Cn1cc(-c2noc(-c3cccc(OCc4ccccc4C#N)c3)n2)c(C(F)(F)F)n1 426202634 GMHCTUDFOGUECG-UHFFFAOYSA-N 425.370 4.607 30 10 IJEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)CO[C@@H]3CCCc4ccccc43)c2)c1 430401485 KPLXIUHSDJJOGW-XMMPIXPASA-N 425.488 4.843 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1c(Cl)cccc1Br 510466870 CHIMUBVPGOBPPV-UHFFFAOYSA-N 446.798 4.647 30 10 IJEE COc1ccccc1NC1=C(Sc2ccc(C)cc2)C(=O)N(c2ccccc2C#N)C1=O 526640545 ZCVJOTKVRHMPBG-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCN(Cc1ccccc1)C1=C(SCc2ccco2)C(=O)N(c2ccccc2C#N)C1=O 526692762 DTWKNZCCBPBWMC-UHFFFAOYSA-N 443.528 4.692 30 10 IJEE Cc1cc(C(=O)NCCSCc2ccccc2C#N)ccc1NC(=O)c1cccs1 534648903 JNDKQUOEPQQZCV-UHFFFAOYSA-N 435.574 4.844 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 549204484 JHFWQKBDOKEXQV-HSZRJFAPSA-N 436.556 4.593 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc(-c2cnc[nH]2)cc1 551059408 OMPDIXSZSKVKAC-KRWDZBQOSA-N 444.564 4.564 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@H](OC(F)F)C1 561398432 VNCOAEIHYJLUDM-SFHVURJKSA-N 444.457 4.667 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 569857870 LOPJEMQRGKUGTI-AWEZNQCLSA-N 444.299 4.781 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2Br)c(F)c1 611141164 CPEKHXQMLSEGMI-UHFFFAOYSA-N 432.171 4.680 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)[C@@H]2CCCN[C@@H]2C1(C)C 693777414 YDCFHVYDXLDEGT-DAESXHAQSA-N 434.378 4.861 30 10 IJEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1C[C@H]1c1ccc(F)cc1 728973612 FCXKQEVQXXTIOX-JZXOWHBKSA-N 435.339 4.514 30 10 IJEE C=C(Cl)CN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 735969494 LHXUOGVPGHYCRO-IBGZPJMESA-N 438.940 4.580 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C[C@@H](C)c2ccc(C)cc2)C1=O 737414617 PGEMDRQPUMPAGB-KUHUBIRLSA-N 447.963 4.659 30 10 IJEE C#CCOc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 765453730 ROODANDLEUHTBJ-UHFFFAOYSA-N 436.537 4.786 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=S 917488924 XARJGBXDYKNMHE-UHFFFAOYSA-N 433.581 4.523 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)c1 919838005 VVXYYOLSRDLWJU-ICFOKQHNSA-N 434.517 4.916 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 1084320950 FJJFSSOLQBYYNW-MRXNPFEDSA-N 439.434 4.825 30 10 IJEE C=CCCn1cc(C(=O)O[C@H](c2ccc(Br)c(Cl)c2)C(F)(F)F)nn1 1132592134 FUKJYZVMTBUNHE-CYBMUJFWSA-N 438.631 4.731 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 1135296404 STQYMQUYJWWUMQ-HXUWFJFHSA-N 448.485 4.846 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C)cc3OCC(F)(F)F)n[nH]2)c1C 1136384486 LRDMWLNIRRUCGG-UHFFFAOYSA-N 433.434 4.578 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F 1136409163 KAVGRWDFYSJCKN-RDJZCZTQSA-N 444.494 4.839 30 10 IJEE CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1137419188 BUVMRRQUXWANHJ-GOSISDBHSA-N 441.528 4.544 30 10 IJEE N#Cc1cccc(OC2CCN(Cc3noc(-c4cccc(Cl)c4Cl)n3)CC2)c1 1167355779 AGPJDSCPOHIOQI-UHFFFAOYSA-N 429.307 4.958 30 10 IJEE CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCCCC2 1167538300 BDJSCZSBPIKXMC-RTWAWAEBSA-N 429.630 4.887 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(F)c(Br)c1F 1167756978 HDPVFGWIUBMIAR-UHFFFAOYSA-N 434.240 4.730 30 10 IJEE N#Cc1cccc(OCCN(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)c1 1168052016 FKFOJWMVULTXFA-UHFFFAOYSA-N 437.902 4.870 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2cccc(F)c2F)n(-c2cccc(F)c2)c1C 1192801267 FXILQLCDHJGWNB-AWEZNQCLSA-N 426.442 4.672 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1205644735 YEBNYWUXIUVKFI-UHFFFAOYSA-N 445.585 4.918 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 1215510087 JGZGCVUCKKLRHC-UHFFFAOYSA-N 435.268 4.936 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(OCCOC)c(Br)c1 1220297947 SRIFEOZVVDBEOV-UHFFFAOYSA-N 449.345 4.703 30 10 IJEE C#CC1CCN(C(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)CC1 1222088701 QNZHUNOQYQLHRX-CQSZACIVSA-N 432.387 4.997 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 1233981180 DDAQMJBMQNMETH-UHFFFAOYSA-N 441.579 4.822 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 1264194023 GGEHLEYGZCYEMZ-UHFFFAOYSA-N 431.517 4.951 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C)cc2)CCCCC3)nn1 1267660693 LGPIMNIMFHUNHA-UHFFFAOYSA-N 434.565 4.976 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1)C(C)(C)C 1275502897 OTRMRKBXEGJOLR-OAQYLSRUSA-N 448.592 4.508 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1 1286305657 OXZSLHQKCRJNAZ-YCRPNKLZSA-N 447.029 4.651 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCc1nccs1 1286317754 QONCYAJMTSKPJE-UHFFFAOYSA-N 444.402 4.647 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCc1nccs1 1286362104 CCAZGVWAIFRXPB-UHFFFAOYSA-N 430.581 4.511 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1sccc1Br 1286363121 JVQCJVXKEKTMGJ-MRXNPFEDSA-N 429.387 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](c1ccco1)N(C)C 1286438430 VSFSEGKXQSXHAW-LJQANCHMSA-N 437.613 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC[C@H]1C[C@H](F)C1 1286519426 XFLDCIPRKAQQDJ-KYCQWFEFSA-N 440.563 4.947 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 1286620279 IEIMXINYWJZPFX-DLBZAZTESA-N 439.387 4.914 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(CCC)CC2)CC1 1286641227 TUUKSDKJLBSVDT-UHFFFAOYSA-N 426.561 4.708 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OC)C1)c1ccccc1 1286677765 JGVUOAZSJBAVPM-NHCUHLMSSA-N 437.975 4.969 30 10 IJEE C=CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CC)[C@@H](C)C1 1286695168 PYGBSOIHXVIGOM-SFHVURJKSA-N 436.629 4.874 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1286708547 VLTGQKDUFWFLSC-QHCPKHFHSA-N 427.980 4.913 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(F)(F)C1)C1CC1 1286734697 VDSBYHVNPKFTSD-LBPRGKRZSA-N 426.309 4.626 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1286739415 BSRAATJPLHJSBK-UXHICEINSA-N 438.616 4.982 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCCC(F)(F)F 1286742263 JAYRVBNXBWKOGD-UHFFFAOYSA-N 428.462 4.690 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCCNC(=O)OC(C)(C)C 1286745636 YKHUIPFQJNQDNC-UHFFFAOYSA-N 431.556 4.648 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC=CO1 1286750152 RAHPZYNTLXCCOF-GOSISDBHSA-N 427.599 4.581 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC(Cn2cccn2)CC1 1286795964 FPCHJWFKIHTGSB-HXUWFJFHSA-N 434.588 4.518 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)C1 1287978685 DDXWSTTVOQBNOW-DVECYGJZSA-N 441.023 4.849 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(Cl)ccnc2Br)cc1 1292109527 XATBHOVXLSJSCL-UHFFFAOYSA-N 434.721 4.564 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(OC)cc1O)c1ccc2c(c1)OCCO2 1293125863 RULKINIKJSWIEG-UHFFFAOYSA-N 447.487 4.584 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 1295013793 QQOHYDDAXBBVAW-UHFFFAOYSA-N 440.547 4.835 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1scnc1C)C(C)C 1296484384 HKZAVRCUOATHTQ-FQEVSTJZSA-N 438.601 4.669 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccsc1 1300386872 VWQQIOYJZBCAMY-KRWDZBQOSA-N 430.375 4.852 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc(C(F)(F)F)cs1 1300565839 XCVFXCHXQSNLOM-UHFFFAOYSA-N 449.889 4.585 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)C 1300648914 QQIONCBBMDKQOP-REWPJTCUSA-N 435.547 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1300813236 DVELEXOXZHHOEZ-SCTDOJESSA-N 434.628 4.897 30 10 IJEE C=CCC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 1300858756 HVZDMEDJMINRMZ-UHFFFAOYSA-N 430.508 4.995 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 1300891369 KJNHAPRTMRUJKM-ISKFKSNPSA-N 443.680 4.550 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(OC)CCCCC2)CC1 1301127965 ZWZHKNDFBDGKET-UHFFFAOYSA-N 430.543 4.899 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1301182141 FIWSTFCJQHEVJX-GOSISDBHSA-N 440.617 4.961 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301207736 FZFIUHVKFJTQDR-AUSIDOKSSA-N 436.556 4.945 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(O)(CC)CC 1301279052 UROMFUCNZLBNQA-UHFFFAOYSA-N 427.774 4.534 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)Oc1ccccc1 1301279176 YGWZXWDIWAUZSY-AWEZNQCLSA-N 433.375 4.859 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(Cl)s1 1301421409 ULTWEGFEKXCVJW-UHFFFAOYSA-N 439.972 4.895 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOC2CCCC2)C1 1301541934 GSWWVRFZNJODEV-OAQYLSRUSA-N 430.980 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(F)(F)F)C1 1301545604 JLLNFSGAHQQRGO-KRWDZBQOSA-N 431.462 4.617 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1301594367 AZUCNNMXKAYMCW-MSOLQXFVSA-N 437.654 4.547 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCSCC1 1301617308 CJTNYYXAIZAADW-UHFFFAOYSA-N 432.659 4.761 30 10 IJEE Cc1cccc(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@](C)(C#N)C2)n1 1304490047 HFXVIENATHWYKF-HSZRJFAPSA-N 438.938 4.814 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1C 1305224623 GDYXJXHCSLMKKL-RXVVDRJESA-N 435.597 4.966 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)c2c1 1307184603 DKWMHCPSKFPDOE-GCJKJVERSA-N 427.863 4.858 30 10 IJEE CCc1cccc2c1N(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)CC2 1307554242 HPPQOQGCUVXOFB-UHFFFAOYSA-N 430.527 4.728 30 10 IJEE N#Cc1ccc2c(c1)N(CC(=O)Nc1nc(-c3ccc(Cl)cc3Cl)cs1)CC2 1307651287 HPLZTGPBBKSEPS-UHFFFAOYSA-N 429.332 4.990 30 10 IJEE Cc1ccc(CS(=O)(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c(F)c1 1309392662 AJBMIJAYCXSOGN-OAHLLOKOSA-N 429.357 4.876 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)Cc1cc(Br)ccc1F)c1ccc(Cl)cc1F 1312322594 YDYMPDWOXBYNAP-ADLMAVQZSA-N 441.703 4.985 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(I)cc2Cl)c(OC)c1 1350140058 BTBHQXHTEGCYLM-UHFFFAOYSA-N 428.653 4.901 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(c3cccc(C)c3C)CC2)s1 1350444251 BRZRJBOVRZBMNV-UHFFFAOYSA-N 436.046 4.804 30 10 IJEE C#CCN(C(=O)c1nsc2ccccc12)[C@H]1CCOc2ccc(Br)cc21 1353635050 PYFOMNHNVXVMER-INIZCTEOSA-N 427.323 4.658 30 10 IJEE COC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccc1F 1354536717 DFNMIQQUKWYUDB-URLYPYJESA-N 430.320 4.643 30 10 IJEE CN(Cc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1355725379 FHDRLCPWIBATIV-OAQYLSRUSA-N 428.511 4.799 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)nc1 1356209309 DWOSNMZCWGSFGE-UHFFFAOYSA-N 441.466 4.611 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCc1nc2c(s1)CCCC2 1358876605 NIEZDYHDDXGUMO-OAHLLOKOSA-N 425.989 4.634 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1358917722 ZEDIVQVARLUKKG-NRFANRHFSA-N 438.641 4.814 30 10 IJEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCC(C(F)(F)F)CC1 1358936972 DOIPHDWINLNZAA-UHFFFAOYSA-N 447.505 4.585 30 10 IJEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1ccc(Cl)s1 1359053410 MBWLWLLOSGDWMN-UHFFFAOYSA-N 442.013 4.925 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccc(C)o1 1359088010 XOCKMPVWUBKHQY-UHFFFAOYSA-N 445.361 4.920 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C)(COC)CC1 1359142351 FZXDSAORCPGFOQ-SFHVURJKSA-N 448.995 4.822 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)CCC(C)C)CC1 1359158737 DCXWBTQCQYYBDC-CYFREDJKSA-N 430.568 4.901 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCSCC(F)(F)F)CC1 1359175710 WSQMPOYTORCABE-UHFFFAOYSA-N 441.479 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359186041 ROVXHQBVLGOZIU-NRFANRHFSA-N 435.616 4.598 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359210760 GQQZPABUEGXXTQ-GOSISDBHSA-N 433.394 4.843 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1359315430 VBQGFLVUKWHFFO-HSALFYBXSA-N 445.489 4.892 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)c2nc(C)cs2)C1 1359322761 BPVMATXGJVZDLY-NQIIRXRSSA-N 437.613 4.527 30 10 IJEE C#CCN(C(=O)Cc1ccc(F)c(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1360311695 ZNNTWGSLFBYIOV-GOSISDBHSA-N 436.708 4.770 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CCC)c2snc(C)c2C#N)s1 1439487781 SOOXKYCADDCFFN-UHFFFAOYSA-N 427.020 4.918 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(F)c1 1441050815 RTFRRXAKNHNWKT-GOTSBHOMSA-N 438.543 4.900 30 10 IJEE C#Cc1ccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 1458393917 JADFXLARMBDBSF-UHFFFAOYSA-N 435.505 4.606 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2cc(Cl)ccc2c1=O 1458736186 TWDWSQQINDKZHN-OIPACUDHSA-N 434.005 4.657 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 1459613134 CQXSCYATWLJIDH-MEDUHNTESA-N 440.124 4.679 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)C[C@@H]3CSCCN3C(=O)OC(C)(C)C)c(C#N)c2[C@@H]1C 1460566235 DDJSPNFHWRSYLO-RBSFLKMASA-N 449.642 4.987 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1470787646 YIIQLVCGZJCFRF-PGRDOPGGSA-N 427.589 4.914 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)c1ccc2c(c1)CCO2 1471453469 BHURNLDUTVRMOY-CQSZACIVSA-N 433.321 4.982 30 10 IJEE C=CCn1c(S[C@H](C(=O)NC(C)(C)C)C(C)C)nc2sc3c(c2c1=O)CCCCC3 1472910008 UEKHBVCGAZFVGK-SFHVURJKSA-N 447.670 4.944 30 10 IJEE CC(C)N(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(-c2ccc(F)cc2)s1 1473119006 DVTSGOTVNYFLAQ-UHFFFAOYSA-N 443.569 4.505 30 10 IJEE C#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(OCC)cc2)c2cccc(Cl)c2)cc1 1475121144 TWBVBBFHRLMWNE-QHCPKHFHSA-N 425.937 4.788 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 1478752093 AMPZAQXIPAKNSD-IBGZPJMESA-N 436.394 4.548 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 1478963940 DPVZYAKMFMOQDA-OXQOHEQNSA-N 438.385 4.550 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H](O)C1 1503466234 DTECYSODJOTVSV-FUHWJXTLSA-N 441.988 4.719 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCCCO1 1507557948 PDISTJQXUAXRFV-UYAOXDASSA-N 426.630 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 1507811292 PNYCHXQLXAFORF-BGJURXJTSA-N 430.637 4.803 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1507905462 VDCZOVCDBCMVAI-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1507913867 FCQFIXBBHHVQMV-TWOQFEAHSA-N 445.435 4.625 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1507944043 OFRSDAOUCJJADV-ICSRJNTNSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CC)C1 1507956080 ADRPHLOITMYGJT-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(F)CCC1 1508021415 SCZBDOKXTDQQLE-HDICACEKSA-N 433.572 4.510 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccccc1-c1cnn(C)c1 1508024276 HGETVGBKTNVLPX-UHFFFAOYSA-N 444.583 4.853 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](COc2ccccc2)C1 1508046535 BOVYAXVLRQLTFW-OAHLLOKOSA-N 445.386 4.860 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1508112971 SUCMALWRKSXFPY-IPMKNSEASA-N 430.980 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC=C(C)C)C1 1508117621 VDEOSYIZSIJWAI-LJQANCHMSA-N 431.378 4.845 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)cc1 1513636608 DFUYNAQEKUEJBY-RXFWQSSRSA-N 434.632 4.758 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)cc1OC 1516002497 USASSNVZFQIDHF-XITWRUSESA-N 437.927 4.529 30 10 IJEE C=C[C@@H](CC(=O)NCc1ccc(I)c(Cl)c1)c1ccccc1 1519489352 XUTLPMXBZISIJG-AWEZNQCLSA-N 425.697 4.921 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)CCCN1C(=O)OC(C)(C)C 1519698243 PSGXGTZQUGBPLQ-FQEVSTJZSA-N 437.418 4.578 30 10 IJEE C#CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(N(C)C)cc1)CCC2 1519920531 WNZBAMOHUIDKFO-VZCXRCSSSA-N 439.559 4.557 30 10 IJEE Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc(C)c1Br 1520567553 BTNQCPSQYGRASJ-AWEZNQCLSA-N 446.732 4.583 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc1OC 1527917423 JBWGGYXKMGZFGM-ALCCZGGFSA-N 427.369 4.887 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccc(F)cc1 1528464210 ZAACAONCALJIBY-SFHVURJKSA-N 435.808 4.847 30 10 IJEE C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1ccc(Br)c(C#N)n1 1529520340 GYAAOSCYQRTVDH-ZDUSSCGKSA-N 437.297 4.512 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)Cc2nc(-c3cccs3)no2)s1 1532228046 CDBKBLGPWVVDRW-UHFFFAOYSA-N 441.003 4.609 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1 1538190591 FUDXKIOBVKYSBB-QGZVFWFLSA-N 446.327 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCSC1 1538986882 OXSHGHRBODXQHN-OALUTQOASA-N 436.581 4.718 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1Cc1ccnc(OC2CCCCC2)c1 1538994507 DBYXASOBBHLEII-LJQANCHMSA-N 445.567 4.566 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(F)c1F 1539155633 XVUQMUBVUCAKLV-UHFFFAOYSA-N 426.536 4.866 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCC1=CCc2ccc(OC)cc21 1539331540 SMOMEMKLXDZGOS-UHFFFAOYSA-N 428.580 4.512 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@H]1C 1539499318 IGDYOVABVOLBRG-JKSUJKDBSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCC(C)(C)COC 1539551832 AXURWBRSBUKFCM-AREMUKBSSA-N 446.599 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1539566742 PJEVWZKCPXOXDS-PMWMKWCKSA-N 436.600 4.609 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2sccc2C1 1539599691 BZXHBEXCPJVOEF-UHFFFAOYSA-N 433.350 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@](C)(CC)C1 1539621364 RAHCARHVJOPKHM-GREBRCKQSA-N 430.980 4.585 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1539686487 YDRWRVYPFOCODR-HKUYNNGSSA-N 429.996 4.696 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(CC)CC(C)C 1539735194 KRVNULVXRKWKDC-UHFFFAOYSA-N 427.412 4.844 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1539774930 HBCKDNFETXOSSM-AEFFLSMTSA-N 434.943 4.563 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1539823304 AAFIHGAYGAHTDC-HZPDHXFCSA-N 443.748 4.792 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCC1(F)CCC1 1540129436 UOZSWXIQGYBCAE-UHFFFAOYSA-N 430.531 4.610 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(CC)C1 1540147495 ROGYJTREQXIHEQ-FQEVSTJZSA-N 439.604 4.604 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCCN1CCCCC1 1540162749 RLSLISIJVZLNAY-UHFFFAOYSA-N 444.421 4.762 30 10 IJEE C[C@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1ccc(C#N)cc1 1540795581 DWKHXNTYKVUTME-HNNXBMFYSA-N 440.569 4.620 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540879895 RFZFNXFBDGEMBX-MDZRGWNJSA-N 438.494 4.561 30 10 IJEE C=C(C)[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1556261916 WTHWPDITONRSKX-SFHVURJKSA-N 425.229 4.612 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1558731028 NNTONLIOXJIXAJ-QFIPXVFZSA-N 438.593 4.721 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCCc3cccc(Cl)c3Cl)nnc12 1559314256 YQJPPTOKRAEQHX-UHFFFAOYSA-N 431.348 4.872 30 10 IJEE C=CCn1c(S[C@H](C(=O)OCC)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 1559330757 OCFJVHBOFQSVRG-IBGZPJMESA-N 440.590 4.919 30 10 IJEE CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccc(OC)cc1 1559707772 CWOZSLCCDPOTCF-XMMPIXPASA-N 446.551 4.662 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)cc1F 1561556157 KVWWELFXQSYAEA-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(Cc3cccc(Cl)c3)CC2)CC1 1568490215 ICFQHQXTZDBVMT-OAQYLSRUSA-N 428.363 4.725 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cc3cc(Br)cc(Br)c3o2)C1 1584653588 NBJBYCNEKXFXGX-LLVKDONJSA-N 425.120 4.833 30 10 IJEE C#C[C@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1CCC)c1ccc(Cl)cc1F 1584727493 OBBXGSAMECCUDY-SFHVURJKSA-N 431.298 4.770 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)CN1CCCCC1 1587679302 ZSHWJXYKNGBBQB-RTBURBONSA-N 446.064 4.804 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2sccc2[C@@H]1CC 1587831965 XIYUGVOEVVJCIL-FQEVSTJZSA-N 436.581 4.951 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1Cc1cccc(NC(=O)CC(C)C)c1 1589207893 RXJAQUDGKZJMCM-BKMJKUGQSA-N 449.599 4.545 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC1CCCC1 1589259268 JQIAZPLRHOMYMV-DNRQZRRGSA-N 428.621 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C)CC1 1589504656 IZJRKRVKJFIOPQ-PWHSHALESA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1589557301 HEJNQMNCONROLF-SMISUXHESA-N 438.616 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(C)C)C1 1589557388 HRGBEEJCCCOVSX-FBLLAGFSSA-N 438.616 4.731 30 10 IJEE C=C(C)COCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(CC)cc1 1593769468 NUNWAWCDTUGOST-LJQANCHMSA-N 428.487 4.620 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C(CC)CC)N(C)C)CC1 1594226169 HSMUDJMTLXTEAZ-JOCHJYFZSA-N 425.621 4.723 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccccc1 1594536404 YAQNPLRZBMJHLY-GMAHTHKFSA-N 437.632 4.846 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCOCC2(CCC2)C1 1594651085 GFOGLZHXKUROMY-UHFFFAOYSA-N 430.980 4.874 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C)cc2)CC1 1594773421 CGVNNPOJZWMYNS-DHIUTWEWSA-N 437.632 4.798 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCCS1)C1CC1 1595038116 PTDHMPKUFCDKDX-IBGZPJMESA-N 428.602 4.793 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CC1CCN(Cc2cccs2)CC1 1611307458 COLRMFGNRNWSCQ-SFHVURJKSA-N 428.650 4.579 30 10 IJEE Cc1nc(CCn2c(CCCc3ccccc3)nnc2N2CCC(C#N)CC2)sc1C 1611841913 FNROPZVHPPBCQF-UHFFFAOYSA-N 434.613 4.509 30 10 IJEE CCO[C@@H](C)c1nc(CN2CCN(c3c(C#N)cnc4c(Cl)cccc34)CC2)cs1 1612054752 FWHIJVXMRLUKMN-HNNXBMFYSA-N 441.988 4.636 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccccc1 1616817483 FGERWTQTAIKBPD-PLTNMMHCSA-N 446.544 4.674 30 10 IJEE C#CCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1CCCc2ccccc21 1617566451 JNPZJEPLJYMQQX-OAQYLSRUSA-N 434.337 4.788 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 1622105823 BRCWCQFUBAAVBU-UHFFFAOYSA-N 435.254 4.851 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)C1 1622922184 GDQVMDZUSYJMHI-CQSZACIVSA-N 429.879 4.617 30 10 IJEE C=CCCO[C@@H](C)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1635227084 VTGPAFTYXCKTHC-GOEBONIOSA-N 438.362 4.592 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1643543406 QJQKZYVCVXNYJI-KRWDZBQOSA-N 441.369 4.973 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C)Cc1ccc(F)c(F)c1 1643873782 FZIYPERGONCTJZ-PGRDOPGGSA-N 442.934 4.924 30 10 IJEE C#CCN(Cc1cccc(Br)c1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1644504532 PCMSZRSBQCRLQA-UHFFFAOYSA-N 441.797 4.937 30 10 IJEE COc1ccccc1CN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C1CC1 1652304147 IAEGYLRHXKOSPA-UHFFFAOYSA-N 446.526 4.717 30 10 IJEE C#CCN(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1652653293 NOQHZDRJJVPNRP-PZJWPPBQSA-N 430.614 4.562 30 10 IJEE COc1ccc(-n2ccnc2SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c(C)c1 1656451637 HBVDNLWWYDYAET-UHFFFAOYSA-N 434.565 4.845 30 10 IJEE CC[C@@H](C(=O)N1CCC(NCc2cc(C#N)ccc2Br)CC1)c1ccccc1 1657050195 DFUORXRHKGQQES-OAQYLSRUSA-N 440.385 4.595 30 10 IJEE CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C#N)n1)N(C)C 1662954118 DWYQINBTNQXVTG-IBGZPJMESA-N 434.371 4.880 30 10 IJEE Cc1ccc(COc2cccc(NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)c2)cc1 1667148987 BWOIHHBBIGBNPE-UHFFFAOYSA-N 444.510 4.939 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1668939011 NKUXVQWWAPNECG-PZJWPPBQSA-N 441.572 4.732 30 10 IJEE C#CCN(C(=O)Nc1ccc(N(C)C)c(F)c1)[C@H]1CCOc2ccc(Br)cc21 1673971832 XNOKAXVEEZRFEF-SFHVURJKSA-N 446.320 4.645 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1F 1674035446 AEYPGNPXABGGFF-WMZHIEFXSA-N 449.954 4.586 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 1675023794 VTDWMEOLRQPCOT-QGZVFWFLSA-N 435.524 4.888 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1677241269 UTSIAPNCSZTYSH-OAQYLSRUSA-N 448.032 4.951 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1)c1ccc(Cl)cc1F 1679007005 GRUDFNJMAANLTA-XIKOKIGWSA-N 430.842 4.711 30 10 IJEE C=CCN(CC=C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1682716118 WRZVITVEPIHADC-TZIWHRDSSA-N 431.552 4.550 30 10 IJEE C#Cc1cccc(CNC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1 1683339421 VKDZRITVUUPGKG-UHFFFAOYSA-N 430.379 4.782 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(Br)cc1 1683680812 HLXKSXWHBWNACN-RTBURBONSA-N 425.326 4.869 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)c1nccs1 1689835912 UZPQSMWAGZSTSY-OAGGEKHMSA-N 425.627 4.850 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccco1)N1CCCCC1 1689842477 BBRBPVDVYFVUOF-GHTZIAJQSA-N 437.975 4.877 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H]1CCSC1 1689879629 CDVPLAWLIGLKBW-KRWDZBQOSA-N 433.419 4.761 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1csc(Br)c1 1689916117 AERFUCPMVFXGTB-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSc1ccc(C)cc1 1690087221 OOVXGXCCHGBHFI-NHCUHLMSSA-N 426.630 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccnc(SC)c1 1690212960 XAIOCMMJZXKSOB-RUZDIDTESA-N 447.608 4.631 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1690224072 AHGQTFAAPSOLGL-PBHICJAKSA-N 442.188 4.874 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCOC)CC(C)C 1690239384 VQZFBJXXPAEUGR-CTNGQTDRSA-N 432.996 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1 1690252316 CDBJPRIJKNNDPR-WXVUKLJWSA-N 447.539 4.500 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1690417188 IEZOOERHLBLUSX-VXSCBNMQSA-N 430.637 4.804 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1690467136 MIFYYTJCWQGQSJ-UHFFFAOYSA-N 449.643 4.567 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1690515837 VSIQYSJUBVFKIS-PMACEKPBSA-N 427.593 4.746 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1oc(CCC)nc1C)C1CC1 1690546901 NWQJDHHEEMPZSW-UHFFFAOYSA-N 425.964 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1csc(-c2ccco2)n1 1690586646 QRZDLOUHKIJIDD-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)cc1 1690679840 AXUMESBRDFSPIB-NFBKMPQASA-N 431.584 4.892 30 10 IJEE Cc1noc(C)c1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1693525004 HLTDDJZVZLVGDN-WMLDXEAASA-N 442.951 4.657 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1 1695491419 FSUQLJPGXJSMRA-HMXCVIKNSA-N 425.602 4.812 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1c(C)noc1C 1705482499 APYXZLLYWDHSHQ-RYUDHWBXSA-N 448.390 4.636 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H]1Cc1cccs1 1705660739 FALJHWYHWKIARH-NRFANRHFSA-N 436.650 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(Oc3ccc(C)cc3)CC2)nnc1C(C)(C)C 1705707475 LQZGEDFODZWLBT-OFNKIYASSA-N 438.616 4.913 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](CCC)OC 1705717986 XFJYPWAVAONRBB-FQEVSTJZSA-N 449.640 4.610 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705723444 TZYMZUKZAJJEBE-LJQANCHMSA-N 442.947 4.962 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1705757644 SKJZGHMOXXRRAK-QGZVFWFLSA-N 435.018 4.930 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)SC)CC1 1705781968 LPDORMHGWRFRHK-IEBWSBKVSA-N 449.665 4.547 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1705822836 SAUSPPAACGEBKC-UHFFFAOYSA-N 447.967 4.665 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCCC1(C)C 1705842550 PYRXLKOXTDRIQF-RTBURBONSA-N 431.625 4.841 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1sc(C)nc1C 1705870165 DFXYJBDUSJTASI-UHFFFAOYSA-N 431.569 4.635 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2sccc2[C@@H]1CC 1705897777 UBBBSQBVOVOBSZ-FPOVZHCZSA-N 449.624 4.698 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Cc2cccs2)C1 1705927280 UXSTUNLGORCBRR-IEBWSBKVSA-N 428.627 4.652 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)SC)C1 1705929883 ZQHUEBJTUHAZAC-RXVVDRJESA-N 444.645 4.687 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCCCO2)CC(C)(C)C1 1708234000 FOSZDACWBAMGNU-FPOVZHCZSA-N 437.588 4.560 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1csc(CC)n1 1722422668 STSOLDMSJFQCGK-UHFFFAOYSA-N 425.577 4.713 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)C[C@@H]1CCCO1 1722454011 GZOAOOLOBVUHTO-IBGZPJMESA-N 444.670 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC1(OC)CCCC1 1722470073 AFXNOVDYGRDBRX-OAQYLSRUSA-N 443.389 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@@H]1CC[C@H](F)C1 1722475719 VGZFIGAKGHDXHX-IEGUWTFLSA-N 428.577 4.709 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NCc1ccco1 1722502683 QCDDFZFAWTXNEV-UHFFFAOYSA-N 435.572 4.554 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CC(C)C)CC1 1722518722 IAPVPFGECCSEEL-UHFFFAOYSA-N 436.629 4.731 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@@H](SC)C1 1722530221 PIWQCBSZRJEQBD-HXUWFJFHSA-N 437.613 4.808 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(OC)C2CC2)CC1 1722562432 AAXUIXRGPFLSRW-NRFANRHFSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSc2ccc(C)cc2)CC1 1722579938 VZQOLXCPTLSJJT-UHFFFAOYSA-N 436.629 4.643 30 10 IJEE C=CCCCn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722623559 VIPAIBOESKTOGG-KOSHJBKYSA-N 428.552 4.548 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N(C)C)c1 1722664283 VOGDTKZAVCIDEH-FQEVSTJZSA-N 437.613 4.541 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)[C@@H]2C[C@H](OCC)C2(C)C)cc1 1722706330 RETBUVATJVWPIN-PKTZIBPZSA-N 447.583 4.593 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1722734178 WNYSXIBIIPXLJB-NRFANRHFSA-N 437.613 4.871 30 10 IJEE CC[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCOC(C)(C)C 1727710323 AYYADQPCCXLXCX-SFTDATJTSA-N 439.604 4.806 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@H](OCC)C1CCCC1 1740545203 OPMKXLWTKDOFDS-DVECYGJZSA-N 433.600 4.880 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1nc(C)cs1 1740631175 IGZZDMWKVQYVFP-WIYYLYMNSA-N 447.608 4.676 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740661470 CEKHHTJYAMMVDG-RNHFSVANSA-N 441.595 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CC)Cc1cccs1 1740763663 ODAFFBCKZATJTR-NQIIRXRSSA-N 428.627 5.000 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CC[C@H](C)N2CCCCC2)CC1 1740841211 JSWHAFNUUATJNE-QFIPXVFZSA-N 437.632 4.567 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740848905 UIKSBMDYYCRRLY-DENIHFKCSA-N 441.595 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)CC 1740922892 WBWXMMVQHYRBQO-XMMPIXPASA-N 433.581 4.908 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCC(F)(F)F 1740938279 DANKWNLYHJHGDZ-UHFFFAOYSA-N 447.299 4.689 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCSC(CC)(CC)C2)cc1 1740967111 XBTWILOFBZKLAY-UHFFFAOYSA-N 437.613 4.998 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCO[C@H]2CCCC[C@H]2C)C1 1740982045 SECAAPFIAASIAR-JRFVFWCSSA-N 438.616 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOCC1CC1 1748873734 XGPSDIBQOPWYHY-UHFFFAOYSA-N 436.625 4.555 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1749026716 OOYCZQRQBVPJKE-OALUTQOASA-N 442.629 4.591 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1749040182 QDILUVYIDPHSGV-SFHVURJKSA-N 429.033 4.905 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1749296038 DWEYHTNIAAKYKQ-SFTDATJTSA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCC[C@@H](C)C2)CC1 1749343626 NKUZAPWVBVQTRE-LJQANCHMSA-N 428.024 4.657 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCS[C@H](C(C)C)C1)c1ccccc1 1749386036 YCGNALDUFIJQTP-FSSWDIPSSA-N 426.630 4.720 30 10 IJEE C=CCCCCn1c(N2CCc3c(F)cc(F)cc3[C@H]2C)nnc1[C@]1(OCC)CCOC1 1749409107 RKGJIYPMJPEZEK-OSPHWJPCSA-N 446.542 4.688 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2Cl)CC1 1749747252 XTVGWIAFNQJGDC-UHFFFAOYSA-N 444.004 4.746 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1749754574 OUWQBGCXZXDDNT-UHFFFAOYSA-N 428.446 4.786 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1760198108 XOZDHSWLUPDWJD-REWPJTCUSA-N 430.552 4.605 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCc2cccnc21 1760239853 YCYAXCIYMODZFE-NRFANRHFSA-N 431.609 4.853 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760304512 XGKYHCGQVVXVRK-OAHLLOKOSA-N 437.357 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C)(C#N)CC1 1760315111 ALNXSOJDQYESNS-VABKMULXSA-N 433.600 4.931 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC=C(Br)C1 1760343147 BLAIJPVVRULFLK-UHFFFAOYSA-N 444.196 4.834 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)CC1 1760361593 NXNJGDYESOTWMC-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760380578 HUSGHGYVRDARQL-RCCFBDPRSA-N 425.017 4.733 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(N(C)C)CCCCC2)CC1 1760381772 ACXNJYUCAABRGQ-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1760420976 AKALRHQNXIEDJP-UHFFFAOYSA-N 433.959 4.513 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1760424264 BKFUEIZBMGMCCW-FQEVSTJZSA-N 435.572 4.999 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1760431420 PKSIZRRGSSEISO-UHFFFAOYSA-N 433.478 4.812 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1760501139 HWLYHOSZMOFVSA-RBUKOAKNSA-N 434.531 4.826 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC=C(C)CC1 1760561663 ISWHFSQKGZDTHW-UHFFFAOYSA-N 428.602 4.817 30 10 IJEE CC(C)(C)c1csc(NC(=O)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1C#N 1860765599 RHMQJCCJYSVCTC-UHFFFAOYSA-N 428.514 4.757 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860941915 VSMAAQDQGSTSIS-HXUWFJFHSA-N 432.996 4.819 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)cc1 1862434077 RBVWIJZEEHPPIF-QFIPXVFZSA-N 447.922 4.580 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1862452515 DPZJVPCPWROORY-QGZVFWFLSA-N 432.701 4.867 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 1862548553 VAMUMRTZAJFTQB-XMMPIXPASA-N 447.531 4.888 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(Cl)c2)c1 1862557731 OPPCALSCRRIYQG-QFIPXVFZSA-N 448.906 4.580 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862618094 OYLZDLRVMWAJJD-NRFANRHFSA-N 443.490 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 1862676806 RKLFWXKXMHACLK-IBGZPJMESA-N 438.436 4.574 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(OC)c(O)c1 1862717871 NMLZUBQRIBDOCE-WNSKOXEYSA-N 431.488 4.931 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(C)c2)c1 1862737002 QYHTWWFQHRLEEU-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862744816 VOOCBAFWRQZCKW-KRWDZBQOSA-N 434.370 4.602 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 1862746286 CGBDJMQYDBRKAP-JOCHJYFZSA-N 446.434 4.555 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cccc(Cl)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1862869650 YWWCNGFNEOYITN-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862976621 BWILSDUVSJGKCL-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862990182 QGFCSMXFNBWTPF-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCN(CC)CC)C1=O 1863534079 GIVMUFFPSUJJDY-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE Cc1ccc([C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 1866958446 WPDUVZAGTHDMGW-FTJBHMTQSA-N 439.559 4.973 30 10 IJEE Cc1ccc(C)c(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(-c3ccccc3C)cc2)c1 1870098701 RMHLHGNTIHRYDN-UHFFFAOYSA-N 443.532 4.532 30 10 IJEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(Br)c(C)c2)cc1=O 1870809823 XJGMLLDAMSCRDN-UHFFFAOYSA-N 440.341 4.539 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 1871449425 WPAOZTRVUSNJHC-SNNLMFDCSA-N 427.456 4.911 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871454426 PSBXANBNMMUPSJ-QRVIBDJDSA-N 444.443 4.791 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1871856007 JTIPYYXJKYKTAC-GCJKJVERSA-N 430.570 4.670 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccccc1 1872422732 JLJYAGBJAOMXFW-NRFANRHFSA-N 434.989 4.879 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(Cc2ccco2)C1=O 1873064017 ZMHMPJBRALCKCH-UHFFFAOYSA-N 434.458 4.927 30 10 IJEE C=CCNC(=O)c1ccc(Cn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc32)cc1 1873508958 YRMSCLNXYGVSHG-UHFFFAOYSA-N 441.531 4.608 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874212892 KOUYXDVVEMVONC-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OC)c1OC 1874267922 WREIVNCVQJOCNZ-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1sccc1C 1874365171 OCXSGWWSNVZYPX-WSDLNYQXSA-N 448.017 4.811 30 10 IJEE Cc1cccc(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)c1 1874408584 DUZSTIMAVGUNTH-ZVHZXABRSA-N 428.602 4.883 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)c1OC 1874458817 GWGBHTVJZSFEFP-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874482622 JCLDRYFUIDEQBB-CIAFOILYSA-N 440.485 4.567 30 10 IJEE C=C(C)CSc1nnc(COC)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874501619 PYWNJRDELQBQMN-ZMOGYAJESA-N 438.553 4.563 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1c(F)cccc1Cl 1874508981 FOOGUYXHTUUKBN-YSURURNPSA-N 449.914 4.946 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)C)c1 1874509892 AUCMKCFOXJADGD-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE CCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(OCC)cc2)cc1 1874567893 WQLCCRJLOJTMAU-HZHRSRAPSA-N 426.542 4.606 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OC)c(Br)c2)cc1 1874617204 QGMSKDXIAVCNOP-ONNFQVAWSA-N 433.298 4.686 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCSC 1874660822 RNBNNRLHCXXJJL-QFIPXVFZSA-N 431.646 4.815 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(C)cc3)ccc2OC)cc1 1874702973 STQAQKIDOGCSDW-MKMNVTDBSA-N 432.472 4.893 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(Cc3ccc(Cl)cc3)nnc2s1 1874783760 XZJDGLQSLUBKQY-UHFFFAOYSA-N 434.009 4.839 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875145876 XPUHOVCUFMRRQK-CMDGGOBGSA-N 427.453 4.768 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cn1 1875156833 LIIHWYUQYZCJJF-ONNFQVAWSA-N 431.448 4.932 30 10 IJEE C=C([C@@H](NC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 1976563953 DPFPNECCQAXDGB-WIYYLYMNSA-N 428.495 4.537 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2067217268 NMAHJXOSRXZIIO-QFIPXVFZSA-N 448.568 4.997 30 10 IJEE O/N=C/c1cc(C2CCCCC2)nn1Cc1cc(F)ccc1I 2070159123 XDFXIAKEEMDVPY-KEBDBYFISA-N 427.261 4.531 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1)c1cccc(Br)c1 2072712732 PKOQRWNBMFMYAK-HXUWFJFHSA-N 449.304 4.623 30 10 IJEE CC1(C)OB(c2cnc(N3CC[C@]3(C)CCOCc3ccccc3)c(Cl)c2)OC1(C)C 2077044273 SCTLBCMASKPXFG-XMMPIXPASA-N 442.796 4.610 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2102878591 SKZUUMDUBDWCMZ-MSOLQXFVSA-N 443.813 4.930 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111268269 LOQJEQNLDQSKPX-ROUUACIJSA-N 443.813 4.848 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2118192581 QKNNCVOSXAPYGX-KGLIPLIRSA-N 426.330 4.732 30 10 IJEE C[C@@H](C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)c1ccc(NC(=O)OC(C)(C)C)cc1 2124540575 JGZRFSXCRURJAN-MRXNPFEDSA-N 444.381 4.688 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(F)c(Br)c2)NC)C1 2126686195 XXYWMNVOQRZOSN-KRWDZBQOSA-N 427.358 4.580 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(c3cc(Br)cc(F)c3C#N)C2)C1 2174807451 BTAGEEGEITZPKW-FQEVSTJZSA-N 438.341 4.687 30 10 IJEE CC(C)[C@]1(C(=O)Nc2ccc(C#N)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2181132757 KAIAAEBCSHHBPU-FQEVSTJZSA-N 436.350 4.542 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1ccc(I)cc1 2235716965 AFKGCFMUEMZPJV-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE C#CC[C@@H](C[C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237391792 LTPCBVBSYWQVIW-DFQSSKMNSA-N 436.390 4.685 30 10 IJEE COc1cccc(C#C[C@H](N)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1 2237742326 SHVRFSYXLNDNRR-IBGZPJMESA-N 431.330 4.856 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)CC(C)C 2243924239 DDVYVASUAJBYFF-RUZDIDTESA-N 447.579 4.948 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2267579349 QVDFYRIBGYWWLL-YQYFMWBBSA-N 439.405 4.701 30 10 IJEE C=CC[C@@]1(COc2cc(Br)c(C)cc2N)CCN(C(=O)OC(C)(C)C)C1 2272147821 GASKPNKUJVYWPH-HXUWFJFHSA-N 425.367 4.922 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC=CCC1 2296274701 VUDCOAQCUTTWJS-MISYRCLQSA-N 433.390 4.638 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2296275875 BKAZWINHRGVSIU-ZCNNSNEGSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2296298613 MACYSJZMAICFQV-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCc1ccc2nc(N3C(=O)C(=O)C(=C(O)c4ccc(C)o4)[C@@H]3c3ccco3)sc2c1 2296775446 HHYLVBKPOFMBRJ-IBGZPJMESA-N 434.473 4.979 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 2308465252 DCLBHTZBVGLFOK-WVCKHHOPSA-N 443.544 4.728 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 2314474689 KXRYQHIWWHPPPP-OAQYLSRUSA-N 431.517 4.591 30 10 IJEE O=C(O)c1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 2318571526 MNHWJPHVBFGLPZ-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1 2319671263 XEDJISLOPNMTFS-QHCPKHFHSA-N 430.354 4.732 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2N=Cc2ccc(Cl)cc2)cc1 2320956627 UVDQHNRQKZRRTP-UHFFFAOYSA-N 427.961 4.669 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C=CC(=O)O)cc4)c3C)C2=O)o1 2323626723 QFEQQNGXYMSMCS-UHFFFAOYSA-N 430.412 4.830 30 10 IJEE CCCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2ccccc2)cc1OC 2326211339 ADDRQDCIXNYMGP-UHFFFAOYSA-N 426.542 4.567 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 2326349052 KKNAMBZZJWFJHR-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE CCCCOc1cccc(C=Nn2c(C)nnc2SCc2ccc(C(=O)OCC)o2)c1 2326838750 BXGFASVSRABTSB-UHFFFAOYSA-N 442.541 4.710 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cc(Cl)ccc1O 2327500691 ATUZBSPYMVBEOU-UHFFFAOYSA-N 438.887 4.879 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cc(OC)ccc1OC 2327502030 PYOLOGCAOFEIOE-UHFFFAOYSA-N 448.495 4.537 30 10 IJEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cc(Cl)ccc1O 2328654118 LLFCMLNLIWKAOR-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE OCCCSc1nnc(COCc2ccccc2)n1N=Cc1cccc2ccccc12 2329362719 BSTGBEMAQRDIQX-UHFFFAOYSA-N 432.549 4.505 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(COCc3ccccc3)nnc2SCCCO)cc1 2329362735 IBPSUQGYRLJQDH-UHFFFAOYSA-N 438.597 4.649 30 10 IJEE COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cccc2ccccc12 2330119381 OAXSUAJZNGTGSR-QGZVFWFLSA-N 430.533 4.730 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(Cl)cc2)o1 2331134622 BRWRPKWSYKEDJX-UHFFFAOYSA-N 444.822 4.504 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccc(C)c2)o1 2331200497 DWGARHXLQLVQPR-UHFFFAOYSA-N 436.493 4.791 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2331396860 IVAAQLDILPPGCD-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 2331562802 FLTUYPTTZKXEHA-LJQANCHMSA-N 436.838 4.997 30 10 IJEE CCCc1nnc(SCC)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2331645601 SSIQROOFFJUCER-UHFFFAOYSA-N 441.395 4.783 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)cc1 2331717535 FYXCLYVFELBWJK-UHFFFAOYSA-N 435.553 4.557 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Nc2cccc(N(C)C(=O)OC(C)(C)C)c2)n1 2337024904 GZXPGNCMLZNAAA-UHFFFAOYSA-N 439.365 4.804 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2339592546 RHRUZJUZIFITGS-IPMKNSEASA-N 442.365 4.503 30 10 IJEE CO[C@@](C)(CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)COCc1ccccc1 2339603891 HSJIYWUUMCWWIV-MIFWMJNYSA-N 438.377 4.760 30 10 IJEE Cc1cc(CNC[C@@]2(C)CN(Cc3ccccc3)C[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678438 DUXMGTAHBZJWTQ-DFHRPNOPSA-N 448.460 4.542 30 10 IJEE COC(=O)c1ccc(N/C(=N/c2ccc(C(F)(F)F)cc2)n2sc(C)cc2=N)cc1 20343971 WYLLRVVUJNAGMZ-UHFFFAOYSA-N 434.443 4.791 30 10 IJEE Cc1cccc(NC(=S)N/N=C2\C(=O)N(CN(C)C3CCCCC3)c3ccccc32)c1C 20685843 FSGUCTXHIATDIA-VYIQYICTSA-N 449.624 4.563 30 10 IJEE Cc1c(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cccc1[N+](=O)[O-] 36629299 ILFRMXKNPXICIS-UHFFFAOYSA-N 432.505 4.647 30 10 IJEE CCCSc1nc2ccc(NC(=O)CSc3n[nH]c(N/N=C/C(C)C)n3)cc2s1 59311592 JPNWJKGNMAUKMJ-DJKKODMXSA-N 449.631 4.701 30 10 IJEE COc1cc(Br)c(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1OC 98006914 CTMJRYVZPOFTLM-YFHOEESVSA-N 447.329 4.892 30 10 IJEE C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(CC)C2=O)cc1OC 100938741 SFIPCWMMFQSBKG-QIEPSYMVSA-N 438.505 4.582 30 10 IJEE O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(Br)c1)c1c(O)n[nH]c1N2 102494038 VJQYDVSUGPYOEV-BZNIZROVSA-N 442.338 4.898 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)cc1OC 169949811 AGINVAXMVOUVPO-HSZRJFAPSA-N 435.520 4.842 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949872 YZGMZRPENJNKSO-QFIPXVFZSA-N 439.483 4.672 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc3ccccc23)[C@H]1c1cccnc1)c1ccc2c(c1)CCO2 170008487 VDJZAHUOJOHUTF-VWLOTQADSA-N 448.478 4.953 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)c1 170038660 ATHLOUJGTKBHAX-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)cc1 170044069 GPNYVYBGFZYNQL-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE Cc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)o1 170100108 FJAAVJFMMHRJRL-DEOSSOPVSA-N 430.504 4.756 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170118516 UNBIRJOTIRJTNB-RDPSFJRHSA-N 443.499 4.606 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)c(OCC)c1 170127641 BPUBOKMHYYYMFW-DEOSSOPVSA-N 449.547 4.961 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccn2)cc1 170171047 GYIDUJOTEQVWBC-XMMPIXPASA-N 440.499 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccn1)c1ccc2c(c1)CCCO2 170173675 RACRQOXUYHGWSF-QFIPXVFZSA-N 446.890 4.843 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)c1 170176128 DXYFAPPWGAOQMB-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C#N)cc4)[C@@H]3c3ccccc3)ccc2O1 170228588 FTSYFSFGSZDNNJ-UPCLLVRISA-N 436.467 4.665 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(OC)c3)[C@@H]2c2ccco2)cc1 170283263 CEWCOQGAVIFOEK-QFIPXVFZSA-N 433.460 4.642 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(OC)c3)[C@H]2c2ccco2)cc1 170283265 CEWCOQGAVIFOEK-JOCHJYFZSA-N 433.460 4.642 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(C)o2)cc1C 170304589 SGCVUZLRWGRXAG-JOCHJYFZSA-N 433.460 4.702 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccc(OC(C)C)c2)cc1 170348239 CZPDVQTYGLWGAE-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1ccc2[nH]c3c(=O)n(N=C[C@@H](C)Cc4ccc(C(C)(C)C)cc4)c(O)nc3c2c1 254509517 HAINSANGAJRNQK-HNNXBMFYSA-N 432.524 4.602 30 10 IJEE Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 443332027 GMBWGKVSCOFVDU-UHFFFAOYSA-N 425.916 4.825 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2csc(C)n2)c1 495451732 LQXVGGZJBOWETO-UHFFFAOYSA-N 447.969 4.739 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 503067975 VRSCHBDWMUOSEY-QFIPXVFZSA-N 425.441 4.587 30 10 IJEE C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CC(C#N)(C#N)C(C#N)C#N)CC[C@H]12 504472934 RTKFWGFLHGHLEO-ZDKYERLUSA-N 444.579 4.582 30 10 IJEE COc1cccc(Cn2ccc3ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc32)c1 504591426 IEAIKEUTPHNTLE-SANMLTNESA-N 447.535 4.898 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc([C@H]3CCCCN3C(=O)c3cc(C)cc(C)c3)n2)c1 567648809 QCHQHRYOGZKZFQ-JOCHJYFZSA-N 444.535 4.637 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1 586096476 FXTNGKNEZJTFFI-UHFFFAOYSA-N 426.605 4.761 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCc2c(cccc2NC(C)=O)C1 685541330 NIKFHNSXESGDQB-UHFFFAOYSA-N 441.457 4.671 30 10 IJEE C=C1CCC(C[C@@H](NC)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 724611030 OVTWKJOTQKBGRV-ZEQKJWHPSA-N 427.633 4.880 30 10 IJEE N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)CCN1C1CC1 732647247 AWNMYAIVKFWNKB-FCUDFIOSSA-N 440.572 4.595 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741183302 GJLVWBAEONUIDU-ZWKOTPCHSA-N 425.410 4.824 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 741365182 AQVGBSGLIFEGNE-HOTGVXAUSA-N 425.790 4.988 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC=C(c3ccncc3)C2)c1=S 795736867 HJAYUQIOBWFKOK-UHFFFAOYSA-N 433.581 4.629 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 796794909 YJNUJSXODQBVBC-MLGOLLRUSA-N 433.291 4.558 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1 849481014 KIJFZVWKYUWVEY-HSZRJFAPSA-N 427.976 4.558 30 10 IJEE CC(C)(CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc2c(c1)OCO2 1125444642 BYYPIHUHPKXTTM-UHFFFAOYSA-N 428.488 4.574 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc(C)c(Cl)cc1I 1126159514 DFXPRKLQHBMDIA-UHFFFAOYSA-N 441.696 4.748 30 10 IJEE Cc1ccc(Cn2cccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2=O)cc1 1127680850 GGPHZHZYQPMLND-UHFFFAOYSA-N 449.510 4.908 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)s1 1141384275 STYYDGPCNYCNIQ-UHFFFAOYSA-N 428.949 4.632 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 1141498620 YWZZARXRSFRYNO-CQSZACIVSA-N 439.400 4.703 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CCCC1(C)C 1156189676 CLLLSNKXHHRCGW-OAQYLSRUSA-N 448.535 4.973 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)nc(O)n2C1CCCC1)c1ccc(Br)cc1 1159633907 DQNCGMOSAKSBPN-SFHVURJKSA-N 438.325 4.724 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(Br)cc2)o1 1159777210 ARDOSSWCMLANDT-SFHVURJKSA-N 432.314 4.761 30 10 IJEE C=CCN(CC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2)NC(=O)N1)CC1CCCCC1 1167392956 YKVUIFYENCAYLC-QFIPXVFZSA-N 445.991 4.579 30 10 IJEE C=CCC[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1178709440 GATIFLZDHRQHCC-HXUWFJFHSA-N 426.358 4.719 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccc(C(F)(F)F)cc1 1188470370 OXUJQQUFPYRUNM-HNNXBMFYSA-N 445.459 4.633 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 1215445414 SCBLJCVIBFYNMO-KRWDZBQOSA-N 431.330 4.578 30 10 IJEE COc1cccc(C(NC(=O)Nc2cc(OC)c(C#N)cc2F)c2cccc(OC)c2)c1 1219578355 FUUUXXLXBHURCL-UHFFFAOYSA-N 435.455 4.634 30 10 IJEE C=CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccncc1 1228098452 XIJJGAQXCVOCSV-OAQYLSRUSA-N 436.556 4.886 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C 1251490058 OBGNUNSIJCBSGF-NRFANRHFSA-N 426.467 4.507 30 10 IJEE N#Cc1nc(NC(=O)c2cccc3cccc(Br)c23)ccc1Br 1276961915 DQSGUUZPRLKBEE-UHFFFAOYSA-N 431.087 4.884 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC(C)CC1 1286279299 UNIOJXKEUZGYQV-FUDKSRODSA-N 437.632 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc2c(s1)C[C@H](C)CC2 1286301478 LNOCISGMZBKJRD-MJGOQNOKSA-N 449.624 4.561 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1CCCC1 1286402063 VHZJJDHQGXSPPQ-UHFFFAOYSA-N 431.765 4.624 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCCCC1 1286437553 ONCIPAURXVIOCK-UHFFFAOYSA-N 444.627 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(Cl)nc1 1286516432 DSEVDEKDSKPKHX-OAQYLSRUSA-N 430.314 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[C@@H](OCC)C1CCCC1 1286526034 VDCWRRAVZKBUSN-ZJSXRUAMSA-N 426.630 4.908 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(OC)nc1 1286570233 QTPFUICENHSWFP-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCCc1ccccn1 1286584439 KTZAMFQNJYQPKQ-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(CC)(CC)SC)CC1 1286648567 GEBUPPRFNHOKRZ-UHFFFAOYSA-N 430.618 4.944 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(C)cc2)CC1 1286650419 BPFZPDFHMMDKLM-OYRHEFFESA-N 437.588 4.562 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1C[C@@]1(C)OCCc2sccc21 1286681096 QNQPXSUVYLXBSQ-AUSIDOKSSA-N 430.618 4.862 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1286708996 VUBIVKCAZDYPES-KDURUIRLSA-N 437.613 4.725 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCN1C1CCCCC1 1286730151 BPFNIENLHCAQJQ-QHCPKHFHSA-N 437.632 4.839 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2cc(Cl)ccc2OC(F)F)C1 1286809017 OZLVPEPVTISCKM-QGZVFWFLSA-N 438.906 4.630 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 1286833924 UOBBLKMBJOAKMQ-UHFFFAOYSA-N 428.499 4.706 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1Cc1coc(-c2cccs2)n1 1286969476 GNNRZCWDHBHCOK-GOSISDBHSA-N 446.580 4.814 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 1291105193 GIVYLOYLTGNQDU-NJDAHSKKSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCCN1CCCC 1300292022 HWJMEUDUZQSSOH-UNMCSNQZSA-N 430.600 4.606 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1300348035 HLWGJPYQDGLYGM-KXBFYZLASA-N 432.446 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCS1 1300559412 PPPREGYAHJDKOH-FQEVSTJZSA-N 429.593 4.550 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1300776487 LDLHVWQHTTWLLH-QZTJIDSGSA-N 433.046 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1 1300883843 FTOIOTBEYGAYOO-FIXSFTCYSA-N 438.616 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(F)cc1C(F)(F)F 1300919051 SIHHMZOFIVTZAX-UHFFFAOYSA-N 433.453 4.873 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)C(C)C 1300980667 LDMZRXTXDNVSPF-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1301059340 XUGIQRAEWTYJDZ-YVEFUNNKSA-N 437.769 4.768 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1301075304 CHRXIJQDWGSZPG-OYRHEFFESA-N 437.632 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC=C(C(F)(F)F)CC1 1301142233 YMQDUBIHXCVHDO-UHFFFAOYSA-N 434.462 4.975 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301201999 CCPHGHWSNDRJJQ-OKILXGFUSA-N 442.352 4.740 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)Cc1cccs1 1301310935 VIBUISLYTJGPBV-HKUYNNGSSA-N 445.633 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1cccc(N2CCCC2=O)c1 1301362540 FRTKMMVINLZILC-UHFFFAOYSA-N 449.624 4.906 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC2(COC)CCCCC2)C1 1301556302 HLQOOAPLZSODCC-HSZRJFAPSA-N 438.616 4.556 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(C)s2)ns1 1306489968 HCOMYZTWSUNWHA-LLVKDONJSA-N 428.967 4.549 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(C(F)(F)F)s1 1307263841 LBRCOSHPVZOMEI-UHFFFAOYSA-N 447.895 4.859 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1scnc1Cl)c1ccc2c(c1)OCCO2 1352838101 PGJQDBJTUYBASV-UHFFFAOYSA-N 442.924 4.980 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)cc1 1353395905 CFWUSGCQDPIBOZ-LJQANCHMSA-N 448.441 4.922 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 1354776262 ZNQGIINPAFRUPM-UHFFFAOYSA-N 438.877 4.882 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)c(OC)c1 1357169595 VFEXFEZLEDMGPP-UHFFFAOYSA-N 445.441 4.954 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)C2)c(F)c1 1358061537 GGVVISINWUSAAW-YKSBVNFPSA-N 449.476 4.902 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1358890735 UXPSKTBCPJGYPP-RCJHGTSTSA-N 434.462 4.542 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1358908739 HXGBOOGEJZHEFG-UHFFFAOYSA-N 443.576 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)CC1CCC1 1359106240 ZGUYIQOCFMDVIQ-XXBNENTESA-N 442.629 4.797 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1359119120 WBHNCFPLERQUFK-CABCVRRESA-N 439.423 4.985 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)Cc1ccc(C)s1 1359144403 HLYWFQXUWJRHQN-UHFFFAOYSA-N 448.976 4.730 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c(C)coc2C)CC1 1359173227 ZORTYZAZUYZJNJ-UHFFFAOYSA-N 433.556 4.808 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[C@H]2C)CC1 1359174743 NQAOQUXSYIJDDS-NVXWUHKLSA-N 432.410 4.885 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@@H]1C)C1CC1 1359254466 SIHPFIBWSJRWOY-CADBVGFASA-N 429.609 4.640 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC1(CC)CCOCC1 1359254719 AVPPNMCUEUJLIQ-JOCHJYFZSA-N 440.588 4.538 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cscc2C)C1 1359312948 DDUUQGPZAHUOMS-DYESRHJHSA-N 442.560 4.757 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCCN2CCCC)C1 1359317790 QHFDZCJPFHEAGN-DHIUTWEWSA-N 437.632 4.689 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCO[C@@H]1CCCC[C@H]1C 1359469388 DCIIZBWKUQRCRN-JXXFODFXSA-N 433.959 4.929 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(CCN(C)C3CC3)c2)CCCN1C(=O)OC(C)(C)C 1435717448 HDVCXTRPWWAHEQ-RUZDIDTESA-N 427.589 4.608 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1439085116 WOEJXKCUCOFMLZ-UHFFFAOYSA-N 441.019 4.779 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 1443406097 INRWXGGKDAKVRL-UHFFFAOYSA-N 439.581 4.906 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 1443937714 PWEHLDWBFMRKSC-UHFFFAOYSA-N 431.577 4.998 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C 1445082432 FUDAHSGTABPZKW-SFHVURJKSA-N 426.866 4.956 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)c1 1464787296 IRPUIABMTQHIAI-STZQEDGTSA-N 444.572 4.775 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 1465381037 CVMIPMFEIXLNGM-DJJJIMSYSA-N 432.318 4.617 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 1467227954 VFTXAJROWPTQDX-OALUTQOASA-N 440.943 4.629 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1467757611 WBFSZCNFPQRQMW-UQBPGWFLSA-N 430.548 4.708 30 10 IJEE C#CCN(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1468344661 CUOIFZDPWJATPW-QFIPXVFZSA-N 439.600 4.843 30 10 IJEE C=CCN(CCC#N)C(=O)[C@@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1468406487 YJYQZRZAEOXKPR-AREMUKBSSA-N 431.536 4.622 30 10 IJEE C#CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2)n1-c1ccc(CCCC)cc1 1472929083 JUHGSRWUQCKHEP-LJQANCHMSA-N 432.593 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 1477522062 DIBORAOCRRJHAB-CZAAIQMYSA-N 447.348 4.958 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccc(C(F)(F)F)cc1 1478271336 AWQFEBPBHVXCHC-SLFFLAALSA-N 440.506 4.722 30 10 IJEE C=CCCCCCCNC(=O)N1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1478605979 PXYZJBMXBSLRDF-LEWJYISDSA-N 437.625 4.617 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccc1C 1507707367 VVYQJVMDXOKEJH-UHFFFAOYSA-N 448.636 4.913 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCC(F)F 1507810681 LQHGRVSIWLFJPT-LAUBAEHRSA-N 436.572 4.951 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1507824881 LZTBOURNGVXGHM-HXUWFJFHSA-N 441.620 4.704 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)C1CCN(CCC)CC1 1507827188 YBVUEDNXEROQEG-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CCCC1 1508018996 AVJGYANWYMMKDZ-UHFFFAOYSA-N 437.371 4.647 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO[C@H]1C(C)C 1508025951 DUYAKJCKIRWUHR-REWPJTCUSA-N 435.572 4.619 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc2ccccc2o1 1508066738 DWJBGANYSXTMNP-IBGZPJMESA-N 437.544 4.919 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(CC)CCC2)C1 1508110507 TYGSMUYDTQMRGY-NRFANRHFSA-N 437.588 4.509 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)OCCc2sccc21 1512805835 GEBQFVXCQCJWQM-XDHUDOTRSA-N 435.597 4.849 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCSC1)[C@@H]1CC[C@H](C)C1 1519126963 FWJMXWYPCLWIDM-RCZSKKKRSA-N 439.629 4.601 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)CCCN1C(=O)OC(C)(C)C 1520914909 DMEMWHJPJQWWLK-RUZDIDTESA-N 442.556 4.682 30 10 IJEE C#C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC=C)C(C)(C)C 1525074983 CMYFTWDCWRAPFV-MRXNPFEDSA-N 437.396 4.694 30 10 IJEE C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(-n2cccn2)c(F)c1 1526462684 AGWZHWSSVABASL-SFHVURJKSA-N 440.478 4.953 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(Br)nc2C)s1 1527302066 SENPNWVHAKMLGT-UHFFFAOYSA-N 432.796 4.943 30 10 IJEE N#Cc1ccc(C(=O)N2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)c(F)c1 1535006526 GNYRRSUSLBSISU-ZDUSSCGKSA-N 432.268 4.618 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 1536324458 VFHIETJGIVRJEK-FCDQGJHFSA-N 441.560 4.657 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 1538489347 MJAFJCLIDBJFOC-UXHICEINSA-N 449.661 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1539028978 FNCGTIQJBQMOPD-XUZZJYLKSA-N 431.584 4.767 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1539035517 RDAHPVKHDZEPHW-SFHVURJKSA-N 446.064 4.946 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H]1CCOC1 1539053228 NJWOQQREHWSKDD-QFIPXVFZSA-N 431.584 4.629 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(OC)CCCCC1 1539154803 RJNDMCXHUVXDIM-UHFFFAOYSA-N 435.597 4.796 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@]2(CCCOC2)C1 1539586726 UWYURXDPUPCLIL-LJQANCHMSA-N 437.769 4.514 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(C)(C)C)C1 1539643274 LVNCZTKGKNMMFA-DPLHUUCSSA-N 438.616 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C)C1 1539646246 SLXSDRMZAOVEIZ-SVMVAKDDSA-N 430.980 4.728 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1539684853 JVJCAJVDILCCNR-SFTDATJTSA-N 439.604 4.890 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539842665 XRUPVHXGDFJKKF-FPOVZHCZSA-N 437.588 4.747 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1539892052 QDPWFWPZVSQAJK-REWPJTCUSA-N 426.992 4.906 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1539971692 OTMXMMSDHXEILN-QHCPKHFHSA-N 426.561 4.524 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1540029320 PNRHTXOATMJNKS-QHCPKHFHSA-N 445.567 4.770 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCC(C)CC2)nc1 1540164006 FYOKTRFPNRNTCR-UHFFFAOYSA-N 443.599 4.507 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1540856209 ZOYGNOFVQYNBTP-UHFFFAOYSA-N 448.880 4.525 30 10 IJEE CCSc1cccc(Cn2c([C@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)c1 1552488197 FMJFYWAVGPNQBM-OAQYLSRUSA-N 425.602 4.810 30 10 IJEE N#CCC1CCN(c2nnc(Cc3ccccc3F)n2CCOC2CCCCCC2)CC1 1555994038 HVEOUNAHCQVAQW-UHFFFAOYSA-N 439.579 4.877 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@H](O)COc2cccc3[nH]ccc23)cc1 1559603688 FYVFGDYPDYTHNI-QHCPKHFHSA-N 429.495 4.621 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 1564913154 HAFOYWXANUTDMH-GOSISDBHSA-N 446.378 4.648 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 1583618328 GIQIGJJHXSFCBX-UHFFFAOYSA-N 447.760 4.980 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 1587063988 MLAPXBZBGNFZTK-IBGZPJMESA-N 434.561 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCSCC 1587586592 QSSYRFBCYXQJNG-ZDUSSCGKSA-N 441.826 4.962 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1587746034 HIWONYWXYDFXKD-PKTZIBPZSA-N 449.643 4.848 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(F)cn1 1589151373 XYMOWEZQIZMONZ-KBMIEXCESA-N 433.531 4.609 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)CCc1cccs1 1589530960 ZXXRJPWUNKPCLM-NRSPTQNISA-N 430.618 4.631 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(Br)ccc2C1 1593600579 SBZDSTPVOHCKEW-UHFFFAOYSA-N 444.764 4.895 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccccc1C 1593718308 SYBDKRWDCFHEBF-UHFFFAOYSA-N 425.964 4.921 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1593722304 OQCRZWGDXKOMDQ-UHFFFAOYSA-N 441.526 4.815 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCC(C)C)CC1 1594091048 RYXYYICMXACHSP-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccon1 1594460661 AFLXOPSLIKKVGG-UHFFFAOYSA-N 436.379 4.996 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C1CCCCC1 1594608865 XYILJGNIHQZRKV-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1594981010 SOKNOMBXYGIJON-XXBNENTESA-N 439.604 4.775 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1cccc(Cn2cccn2)c1 1595143019 XJMUDVNQWVCQGV-UHFFFAOYSA-N 432.597 4.949 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@@H]1CCC2(CCCCC2)O1 1595165957 NXQXZTSPGSRAAO-IBGZPJMESA-N 430.618 4.951 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@](C)(O)c1ccccc1 1595234321 OVCWPCVCVRTKLE-DRLORSAXSA-N 438.616 4.673 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC(C)C 1595854788 NDVQEDOHNOKEBM-UHFFFAOYSA-N 439.423 4.728 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1595900728 HWTNVGCJSYVSKC-HSZRJFAPSA-N 425.602 4.523 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn(-c2ccccn2)c1C(C)C 1596875004 TZUNISLOCZSBJA-UHFFFAOYSA-N 441.329 4.970 30 10 IJEE C#CCCOc1ccc(C(=O)OCc2cc(Cl)ccc2I)cc1 1610912796 YIJNARFPKIGKQC-UHFFFAOYSA-N 440.664 4.704 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@H](O)C2)C1 1611764973 BURUGYDQQJUUMN-ULYRPOKDSA-N 448.398 4.933 30 10 IJEE C=CCCc1ccccc1NC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1617524071 LNXJHJZHTFWAER-UHFFFAOYSA-N 434.540 4.818 30 10 IJEE N#Cc1ccccc1N1CCC(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 1621025758 FSUYPKXHIXSQMC-UHFFFAOYSA-N 425.458 4.726 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc3c(Br)cccc23)CC1 1624793472 FWWPBJHKSXLTTO-UHFFFAOYSA-N 438.300 4.575 30 10 IJEE Cc1ccc(N2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)CC2=O)cc1 1624852752 DUMHIUMOCMAAOB-UHFFFAOYSA-N 442.544 4.899 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)s1 1626733278 RRAUXMUJQNGCRF-UHFFFAOYSA-N 449.985 4.521 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)cc1OC 1627595485 RDKZBVLUZQCMQI-QBFSEMIESA-N 444.572 4.617 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1630304277 SHTPEWFAUVFETD-OAQYLSRUSA-N 439.394 4.908 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 1630714010 XKVMANXJPXHIQS-SFHVURJKSA-N 425.356 4.791 30 10 IJEE C=CCC[C@H](CO)NC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1632027862 INVXSQJGMJINEQ-CZUORRHYSA-N 438.391 4.568 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccccc3Cl)C(C)C)ccc2c1=O 1633602946 HLIQRGFGQVTBEI-IBGZPJMESA-N 427.957 4.652 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1635550891 WQMASUQQTDTFDC-MRXNPFEDSA-N 432.908 4.588 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1C#N 1636100694 GESPXNTZBYKVNV-SFHVURJKSA-N 429.929 4.831 30 10 IJEE C#C[C@H](NC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1)c1ccc(Br)cc1 1636541807 PFRQSXFQELBEDF-OXJNMPFZSA-N 449.707 4.615 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)C(=O)OCC 1636821323 FSUIQRAWAAREDC-UYAOXDASSA-N 446.341 4.583 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C 1646181460 FVVMMAGHMYIBTH-CRAIPNDOSA-N 438.490 4.505 30 10 IJEE C=CCN(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H](Cc1ccccc1)C(=O)OCC 1654155551 SZYXYSITYLYXOT-AREMUKBSSA-N 447.554 4.663 30 10 IJEE CC(C)c1sc(NC(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)nc1-c1ccccc1 1658095495 CBAZXCFBPUDLER-OAQYLSRUSA-N 446.576 4.817 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc1 1664646485 VXRYYQCXKMZCRA-UHFFFAOYSA-N 443.613 4.879 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1)c1ccc(Cl)cc1 1666052496 NMPDWEJDMBWBGJ-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2nc3cc(Br)ccc3n2CC)c1 1667733861 RVLNOSRTELSVMP-UHFFFAOYSA-N 429.318 4.705 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)c1ccc(Cl)cc1F 1668084381 XJKRGAAIBHJKDG-QGZVFWFLSA-N 447.695 4.923 30 10 IJEE C#CCOc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 1668938718 CPFQDFURRMFEKX-MHZLTWQESA-N 426.516 4.567 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc(OC)c(-c2ccccc2)c1 1669164679 RAOQMUNLXGXXRE-UHFFFAOYSA-N 439.581 4.907 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1670932189 KGCAKLIELFSRGW-SFHVURJKSA-N 425.382 4.778 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2cc(-c3cccc(Cl)c3)on2)CC1 1671302569 HMYYTABRUVOSFR-UHFFFAOYSA-N 437.887 4.773 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)cc21 1673311873 MTZUUINATTVWNQ-QGZVFWFLSA-N 429.446 4.642 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccnc(Oc3ccccc3Cl)c1)C2 1674650670 AWMIHNDDEAJWIH-UHFFFAOYSA-N 425.901 4.633 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1676972877 DWXOHDOHJRLCCO-LJQANCHMSA-N 427.504 4.818 30 10 IJEE COc1ccc(C2=NO[C@H](CNC(=O)Nc3scc(C(C)(C)C)c3C#N)C2)cc1C 1677859997 AVKQKVZCERELEP-HNNXBMFYSA-N 426.542 4.549 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@](O)(CC)CCC(F)(F)F 1678355844 GKQUSWUYZZYPAU-MRXNPFEDSA-N 439.272 4.619 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1679561038 VGTLBAXKKMXSPW-FQEVSTJZSA-N 448.350 4.505 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1)c1ccc(F)c(F)c1 1681778912 HVKLPWGIPVSWHF-GAJHUEQPSA-N 429.511 4.679 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2c(F)cccc2F)CCC1)c1ccc(Br)cc1 1683362150 IGNOZQKJUDODDY-GOSISDBHSA-N 433.296 4.823 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)c1cc(C)oc1C 1689837675 KLUIUQJWWPOZPK-QUGAMOGWSA-N 434.584 4.818 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1C1CCCCC1 1689840431 ZHJPPQIBHPENRW-FXAWDEMLSA-N 443.998 4.993 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=C)Br 1689863383 STTBZOJWEYCHIY-INIZCTEOSA-N 431.378 4.521 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1689874838 CGBIMWSZGKJPQZ-LJQANCHMSA-N 431.625 4.821 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1689934296 PPIILDLQTGEPSG-NRFANRHFSA-N 439.673 4.825 30 10 IJEE C=C(Br)Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)C(C)C 1690223165 HDIIYXNASTUDRI-UHFFFAOYSA-N 446.162 4.990 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cc(Br)cs1 1690280074 VYYXOEPTYNXAFS-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1690465566 FSSDZJGDTQMEKC-UHFFFAOYSA-N 445.611 4.503 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1690516030 ZOYYBURONXUFMK-HNNXBMFYSA-N 429.565 4.982 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1690569997 RSTBIOMCWYKQIQ-AKIFATBCSA-N 440.563 4.833 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCCC1 1690573862 GQIBXOYPEWGWDM-UHFFFAOYSA-N 436.585 4.760 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H](F)C1)C(C)C 1690580538 AQUHABMJFVUTQA-AKIFATBCSA-N 425.596 4.746 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)F)C2)cc1 1690679847 AYCMDKSAHMUOBK-UYAOXDASSA-N 432.515 4.614 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)C12CCC2 1696192177 FVDKAZXNQHHBSB-RTBURBONSA-N 429.515 4.646 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](SC)C(C)(C)C 1705623197 JEKRKEIOFCXESN-HXUWFJFHSA-N 426.586 4.555 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1705723026 VLHKOJVIPOJEDQ-QGZVFWFLSA-N 426.362 4.914 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@@H]2CCCCO2)CC1 1705785271 BPUUOXVRKQTIBR-NRFANRHFSA-N 440.588 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(CC)c1 1705793474 ZPPOXTGUGPAIMK-UHFFFAOYSA-N 426.996 4.977 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705837757 NCBCOZCWYXWRON-SFHVURJKSA-N 431.968 4.620 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705859843 ZYNMPVSKIFNLNJ-GOTSBHOMSA-N 446.643 4.844 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1[C@@H]1C[C@H]1CF 1705881684 XVYBSYUCUZUORW-ZWKOTPCHSA-N 427.549 4.546 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C2CC(C(C)(C)C)C2)C1 1705917365 SVJBAUPACFDLQN-BDVYOWHSSA-N 448.409 4.814 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1705947343 IMQALUYOLDXBBH-UXHICEINSA-N 444.620 4.570 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(O)cc1 1722388574 DAHJCBWKLDFBKM-UHFFFAOYSA-N 444.604 4.687 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1722485554 UFMYREURDKACPQ-UHFFFAOYSA-N 432.322 4.531 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1CC 1722488235 CWKKSSJGFAVBEC-OAHLLOKOSA-N 437.407 4.866 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCSC1 1722528990 RKALSVAKXKZWOY-OAHLLOKOSA-N 427.401 4.786 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](CCC)C1 1722547026 HRYTYFXFLQREBS-AWEZNQCLSA-N 443.748 4.605 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2ncc(CC)s2)CC1 1722581269 ADTREMHZXBZONB-UHFFFAOYSA-N 441.576 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1722589682 NLLLYQJQPXMROL-NRFANRHFSA-N 441.595 4.663 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)c1ccccc1 1722598020 YPUFKEIMJTYOLP-HXAGEGRHSA-N 438.616 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@]1(O)CCCC1(C)C 1722633254 QYOVFVORMBZHGU-DEOSSOPVSA-N 437.613 4.940 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1Cc1ccc(I)cc1)C1CC1 1722648580 CJCVDZIACAJGRK-UHFFFAOYSA-N 448.352 4.743 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(CC)C1 1722674929 HZPAQKFWEXPVEM-IBGZPJMESA-N 439.991 4.768 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCSC(F)(F)F 1722676654 HCJJMYZBLMOKAN-MRXNPFEDSA-N 430.496 4.601 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1722691273 QVRWMLMCHSRTHS-SQGPQFPESA-N 430.980 4.694 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCCCCCC2)cc1 1722704796 PGEJKUDEOMQHHZ-UHFFFAOYSA-N 434.588 4.523 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)C1 1722719957 CXLWDSNZMYRQQM-TUNNFDKTSA-N 444.645 4.553 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722732807 PNGBHWZPTMRJNM-DZFGPLHGSA-N 446.592 4.624 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCSC1(C)C 1740645483 NUAHXFYFYWMANC-QGZVFWFLSA-N 445.057 4.828 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H]1C 1740687996 JZCIXLGIOUOSME-MSOLQXFVSA-N 433.021 4.746 30 10 IJEE C#CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@@H](C)CC#N 1740712658 QBYKILVZTSMMFQ-INIZCTEOSA-N 439.585 4.917 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCCCCC1 1740739897 DSRSFGNKBDITMR-UHFFFAOYSA-N 435.366 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](OC)C1 1740845462 PJWZSQKAILWFHX-FQEVSTJZSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1740851060 PKPNUXNQAHTRQJ-UWJYYQICSA-N 430.543 4.755 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1740856441 STNZDEOROYKRHK-QHCPKHFHSA-N 445.611 4.877 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCOC2(CCCC2)C1 1740882040 YBPYDCOJIGMDOI-UHFFFAOYSA-N 428.602 4.695 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CC(F)(F)CO1)C1CC1 1740906492 HOPLBWIVDXRKRD-CQSZACIVSA-N 429.298 4.831 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C/C=C\c1ccccc1)C1CC1 1740908324 SRQVNNWUSFDAQH-YFHOEESVSA-N 438.373 4.914 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)c1ccccc1)C1CC1 1740914013 YMPNCBBRGHCLIZ-DHIUTWEWSA-N 437.632 4.878 30 10 IJEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)CCS1 1745056128 FDGBEGXYFXSDMU-CTNGQTDRSA-N 439.629 4.887 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1748710568 TZRJVOAAQHTFII-HXUWFJFHSA-N 432.490 4.946 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C(C)C)N1CCCC1 1748907973 QAFFODYQWNHGBC-DENIHFKCSA-N 444.023 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1749061016 IKAYRHCEHDSZHQ-RXFWQSSRSA-N 449.599 4.645 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCc2c(F)ccc(F)c2C1 1749089817 FOSSZUPBIWHVPG-UHFFFAOYSA-N 435.272 4.596 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1749184381 SEWPTNFZMKMQGE-IBGZPJMESA-N 439.604 4.959 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1749219760 ROGWHUHKHLHFLZ-PZJWPPBQSA-N 440.588 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OC(F)F)CC1 1749294332 WREDDYSUADLGJO-UHFFFAOYSA-N 431.874 4.800 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1749331123 VLTHESQWDQZYCJ-FUHWJXTLSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@](C)(O)CCC)CC1 1749331726 VQTPXBMBZJJSSQ-LJQANCHMSA-N 439.423 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1749364334 QMRZAWKIAMDVJC-OALUTQOASA-N 448.615 4.902 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749392822 AFKFSJNKVSSKPN-NVXWUHKLSA-N 439.387 4.848 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1749438651 ZNEHEMSMDPJTRH-OAQYLSRUSA-N 449.603 4.554 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H](C)c1c(C)noc1C 1749538211 SMQFPDARFNROGQ-LJQANCHMSA-N 442.567 4.865 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1N(C)CCCC1(C)C 1749538777 LZLOMMHCKWHUKJ-QHCPKHFHSA-N 430.600 4.653 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccc(C)s1 1749658196 HVTSFYJXVBKHDC-UHFFFAOYSA-N 437.613 4.551 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC(Cn3cc(C)cn3)CC2)cc1 1749683383 RIIPJWAXFBYOOM-NRFANRHFSA-N 448.615 4.826 30 10 IJEE CSC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1750220103 GCDVACZIIDQVTR-SFHVURJKSA-N 427.618 4.917 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC2(O)CCCCCC2)c1 1750380980 DQGCMGCAICEJCU-UHFFFAOYSA-N 447.505 4.681 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2CCOCC2)C1 1751273632 HNAYNODXFOBNOI-JOCHJYFZSA-N 431.943 4.684 30 10 IJEE C#CCCCn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760159576 KTDAVCQIUJRBEW-YSIASYRMSA-N 435.572 4.543 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CCCOc2ccc(F)cc2)nnc1C(C)(C)C 1760328159 RKVSBTSXHIXTST-WIYYLYMNSA-N 430.568 4.601 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760343199 FWGWPMXJTWRSPU-IBGZPJMESA-N 434.588 4.969 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1760377865 QIRXXGKXQXIUNU-GOSISDBHSA-N 435.380 4.914 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1760393369 OTKBVPLOSXKNFH-NZQKXSOJSA-N 440.588 4.617 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)[C@H](C)CC)CC1 1760393471 RIXQGPGKVGCLIS-HSALFYBXSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1760413164 ZMLRPBNDEDFHMY-DYESRHJHSA-N 446.542 4.631 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)cc1 1760425230 HGZBGJRMVZEUPQ-SFHVURJKSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(N2CCS[C@H](C)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760430874 WVIRBODHYYRPNT-ZSYWTGECSA-N 449.665 4.735 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(C)s2)C1 1760549468 FGPTZJIEYQJZJY-HXUWFJFHSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C2CC2)C1 1760563657 YSACQTMHMPTSAQ-MRXNPFEDSA-N 433.419 4.863 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1760698055 BLMFGNRWDLYJKM-MPQSDHOMSA-N 443.567 4.576 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1770579434 CXDLGUPWXFYGOG-PKOBYXMFSA-N 441.988 4.983 30 10 IJEE COc1ccc2nc(SCC(=O)Nc3ccc(Br)c(C)c3)c(C#N)cc2c1 1858204697 KQTGEQQCQLYJIZ-UHFFFAOYSA-N 442.338 4.917 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1C(F)(F)F 1861043500 GRZWZLGMULWYDP-PXNSSMCTSA-N 442.522 4.538 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cc(Br)ccc1F 1862410691 PMFRCDQRJDSHPL-SFHVURJKSA-N 448.288 4.503 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CC2)cc1 1862468752 WRJQZHIILXDVCY-IBGZPJMESA-N 426.310 4.752 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCCCO)c1 1862479712 OBHGORDCDQIBMT-HSZRJFAPSA-N 437.536 4.525 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(F)c2)cc1 1862555899 KQMMCGVIEUQNPR-WNSKOXEYSA-N 446.478 4.756 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862559379 NCFMFHNCQKGFDV-JFJYTDJESA-N 434.536 4.825 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)cc1 1862586220 OIKNPYZFDRNJPC-GOSISDBHSA-N 446.286 4.521 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862619787 CINIJGZIOHIPCE-QHCPKHFHSA-N 449.547 4.990 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(OC)c1 1862718327 YBHUSLUPKQBQDD-QHCPKHFHSA-N 431.488 4.932 30 10 IJEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2ccc(F)cc2F)C1=O 1863132531 ODNYDFDDIXHIHB-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1867119056 XFZZTIGTYWUFBM-RUZDIDTESA-N 443.522 4.695 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868378873 VILWVMREHUAASR-HSZRJFAPSA-N 442.542 4.603 30 10 IJEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 1870142324 MCJLACHZNILXPN-JCMHNJIXSA-N 430.471 4.800 30 10 IJEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CNc1cccc(Cl)c1 1870800875 VBDQOYLCMZGOFV-UHFFFAOYSA-N 448.910 4.528 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1870865616 CFJYNCSEEBKMDG-UHFFFAOYSA-N 426.557 4.664 30 10 IJEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1871251268 VWZZDEXTWZGKRO-UHFFFAOYSA-N 431.536 4.564 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4F)c3C)C2=O)c1 1871460159 YIXAZPCEZQIMRO-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE C=CCN=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871605715 IHJXVGITVJBYTO-OALUTQOASA-N 429.572 4.861 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCC 1871783746 KMMBUVUWELXXAC-GOSISDBHSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cccs1 1871892073 KMQWYHMZAPMIAV-HXUWFJFHSA-N 434.627 4.985 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CC 1872280011 SFVXARSEJVYFIS-XMMPIXPASA-N 442.625 4.858 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c[nH]c4ccccc34)n2)c(OC)c1OC 1872787920 BFLHYGQVPKBETR-KRWDZBQOSA-N 447.516 4.736 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1OCc1ccccc1Cl 1873499875 SVARNLHMQNEKHU-NUGSKGIGSA-N 442.850 4.709 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1873937111 YQUYWSZFSMABIV-SFHVURJKSA-N 428.614 4.868 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(O)c(OCC)c1 1874267956 XZWXOOOTLSFFJG-YDZHTSKRSA-N 444.944 4.775 30 10 IJEE Cc1cccc(OCc2nnc(SCCCO)n2/N=C/c2ccc(C(C)C)cc2)c1C 1874324229 GCPBZDOLBRNQLA-MFKUBSTISA-N 438.597 4.954 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1cc(OC)ccc1OC 1874362838 ZSFCIMWIPJLCST-MFKUBSTISA-N 436.581 4.939 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1)c1ccccc1 1874441090 IHIOIXLOHSBXFI-OAKZWBAKSA-N 435.597 4.718 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)c1 1874516445 XOIXSQPZSKZRCU-DHRITJCHSA-N 430.537 4.558 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)CCOC 1875099323 CBWFYRYMSRYEHO-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3OC)cc2)c1 1875194259 OJWIKVFMVMKGMV-GXDHUFHOSA-N 448.471 4.836 30 10 IJEE Cc1ccc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)cc1Cl 1892136938 IXRQGKUBARMXBH-SFTDATJTSA-N 427.957 4.552 30 10 IJEE C#C[C@@H]1N(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CC1(C)C 1899919407 YRWPNMHVPDVNOQ-RIEVBORMSA-N 444.575 4.810 30 10 IJEE C=C([C@@H](NCC)[C@@H](O)c1scc(Br)c1Br)[Si](C)(C)C 1922918861 RIXVEFJRTMKAJV-VXGBXAGGSA-N 427.278 4.718 30 10 IJEE C=CCC1(NCc2ccc(Br)c(Cl)c2F)CN(C(=O)OC(C)(C)C)C1 2036847694 KFBXUURFMBYFAD-UHFFFAOYSA-N 433.749 4.897 30 10 IJEE C=C(COCCC)[C@@H](NCC)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041913053 ZOFKVWWXCHCGRZ-ZEQKJWHPSA-N 446.632 4.791 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C23CCC3)c1 2068970733 NBKHALACEMFGFY-XMMPIXPASA-N 443.544 4.872 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)C12CCCCC2 2072200132 XJKRIKNZHHETGX-MHECFPHRSA-N 449.592 4.618 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2cc(Br)ccc2Cl)NC)C1 2077086329 UQSVCSMIEFZFBE-INIZCTEOSA-N 429.786 4.847 30 10 IJEE CCc1ccc([C@H](CC)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079127470 OUNLJYIPSIUHSX-ZDUSSCGKSA-N 433.215 4.940 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C#N)c2Br)C(C)(C)C)cc1O 2079979473 PUVWLQWRCCRDNE-CQSZACIVSA-N 432.240 4.886 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(Br)c(C#N)c2)C(F)(F)CC1 2092400446 HCOCQVKYZHACQA-OAHLLOKOSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)N1CC(CCCCNc2cc(Br)cc(F)c2C#N)C1 2107439019 TUFPOTBEWDGCEO-UHFFFAOYSA-N 426.330 4.909 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441445 CWEBBWAAMMISFZ-TZMCWYRMSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)NCCC1CCN(c2cc(Br)cc(F)c2C#N)CC1 2118199364 RDEULIRUBHLXJW-UHFFFAOYSA-N 426.330 4.591 30 10 IJEE C=CC1(NC(=O)c2ccc(I)c(Br)c2)CCCCC1 2121649845 MWODCVVZUGNVJX-UHFFFAOYSA-N 434.115 4.672 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2cc(Br)c(C#N)cc2F)C1(C)C 2127901305 SUYFVSILRXYRHQ-WBMJQRKESA-N 426.330 4.811 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2cc(Br)cc(F)c2C#N)C12CCC2 2175035998 FRCNRMQJCUSODN-PXAZEXFGSA-N 438.341 4.955 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2cccc(Br)c2Cl)C3)OC1(C)C 2194129145 SPGDXCOJQILQBZ-BUXKBTBVSA-N 440.574 4.801 30 10 IJEE CC1(C)CN(Cc2ccccc2)[C@H](CNc2ccc(C#N)c(Br)c2F)CO1 2194648740 JRVMKCUCHMUXFS-QGZVFWFLSA-N 432.337 4.551 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Oc1cc(Br)cnc1C#N 2198818925 BGGZSGDIULYCJS-SUMWQHHRSA-N 436.350 4.568 30 10 IJEE Cc1cc(Nc2ccc(Br)cc2I)c(C#N)cc1N 2231624869 WZTOPRIEAKGHGI-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2235728580 RXZOMUGYJFSRSZ-QRQLOZEOSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#CC1CCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2260980763 LJGLSKIPYAIEOJ-RPLLCQBOSA-N 439.644 4.718 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267015687 RPKJNGKEVLKIIG-IBGZPJMESA-N 437.389 4.681 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267574751 ZNRUBDYIANGJDX-IRXDYDNUSA-N 442.365 4.795 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@@H](O)CC#CC1CCCC1 2289923830 DPCPIYBDDIMDIL-PMACEKPBSA-N 436.390 4.830 30 10 IJEE C=CCCC1([C@@H](C#Cc2cccc(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2296228708 BLLQMHJATNULFO-LJQANCHMSA-N 433.390 4.592 30 10 IJEE CCOc1cc(Cl)c(C=C2SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 2297461662 YPUGYEKMGPAKJC-UHFFFAOYSA-N 446.912 4.679 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2314028139 GAFNVECGIMQYPI-HKUYNNGSSA-N 445.560 4.974 30 10 IJEE C[C@H]1[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317354116 MWQUMYAGTROANL-FUHWJXTLSA-N 430.354 4.503 30 10 IJEE CCCOc1ccccc1C=Nn1c(C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 2321085955 GSNZAHJOVQYLCZ-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(S)nnc2Cc2ccc(Br)cc2)cc1 2322238759 HGLSYWRIJUWJIC-UHFFFAOYSA-N 444.402 4.649 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1OC 2322748234 DPTFDZJXANHHIR-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCc2nc(O)c3ccccc3n2)c(OC)c1 2322901563 OBOAQQACQHILQD-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCCCO)c2Br)c(C)c1C 2323247508 FJNWKGVPSMDZQJ-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324140728 KFBPOPZVHRXDMO-GOSISDBHSA-N 427.928 4.707 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2324989747 IOGFCMGMXOJUKP-UHFFFAOYSA-N 431.444 4.733 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2N=Cc2ccc(O)c(OCC)c2)cc1 2327322980 JGAJSGWLADLOGY-UHFFFAOYSA-N 426.542 4.518 30 10 IJEE C=CCN(Cc1ccccc1)C1(C(=O)O)CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2327905426 LVGORQDYRIOJHR-HCYSDIRSSA-N 442.600 4.945 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)cc1 2328563701 ZWEIYIFYFLCRHT-UHFFFAOYSA-N 435.528 4.909 30 10 IJEE CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1cc(Br)ccc1O 2328920916 WZDXXGRYUGEHKC-UHFFFAOYSA-N 445.386 4.752 30 10 IJEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(O)c(OCC)c1 2329189865 LGCGZFRVNPDPQM-UHFFFAOYSA-N 438.553 4.554 30 10 IJEE Cc1ccsc1C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330632308 BXEOQAIAVRSWKD-UHFFFAOYSA-N 438.417 4.988 30 10 IJEE CCOc1cccc(C=Nn2c(CCOC)nnc2SCc2c(F)cccc2Cl)c1 2331312461 YJFOKXXVSFYJPX-UHFFFAOYSA-N 448.951 4.833 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(CCCC)nnc2SCCCO)cc1OC 2331346993 VYEGYCLXZGHISV-UHFFFAOYSA-N 448.633 4.945 30 10 IJEE Cc1cccc(C)c1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1 2331397556 OGZACPFNSZQAHY-UHFFFAOYSA-N 444.483 4.955 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cc(C)ccc2O)c1 2331684977 MGZQYQUEGQZIHO-UHFFFAOYSA-N 437.569 4.645 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578013 AKFQUUONQCVICC-HHNLSAEISA-N 444.381 4.751 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339586415 FOCRPTVUOWVAJY-IYPOZPNPSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)C1(C#N)CC(N)(C(F)(F)F)C1 2340419887 FUPMCHVYHYOUPO-UHFFFAOYSA-N 434.256 4.507 30 10 IJEE Cc1cc(CNC[C@@H]2CCCCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369697390 OEJLXTYPVBJKNM-VWLOTQADSA-N 448.460 4.686 30 10 IJEE Clc1ccc(-c2nnc(CSc3n[nH]c(N/N=C/c4cccc(Cl)c4)n3)o2)cc1 20835146 OYRSIGUJKXSMEO-ZVBGSRNCSA-N 446.323 4.900 30 10 IJEE COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc(OC)c1O 21219645 QRTCPODZPQRLIL-VQIMIIECSA-N 449.547 4.711 30 10 IJEE N/C(=N\CCCc1c[nH]cn1)N(CCCc1ccc(F)cc1)CCCc1ccc(F)cc1 31424838 QGJBLVGBMFDHDZ-UHFFFAOYSA-N 439.554 4.503 30 10 IJEE C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)NCc1ccccc1 33645268 SHFAMRXKHVYHIZ-UHFFFAOYSA-N 431.536 4.515 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nncs2)c1 35490136 WQPNNRGTKFEKHU-HXUWFJFHSA-N 445.500 4.576 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)c1 41430628 STBKGUZYKPVCAN-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cn(C)c4ccccc14)O3)CN(Cc1cccnc1)CO2 41650686 VUMUTSYKXCRVNM-MYKKPKGFSA-N 437.499 4.850 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)cc1OC 41654209 RDSUZNFCJVYFOB-CFRMEGHHSA-N 429.472 4.672 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCCC(=O)Nc1ccccc1OCC 59266018 OZFFBSPYHVZDQM-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCC(=O)Nc2nc3ccc(OCC)cc3s2)n[nH]1 59891438 PHCUXTMEWJWTQX-FSJBWODESA-N 447.590 4.522 30 10 IJEE N#Cc1cccc([C@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc23)c1Cl 96290571 LYIBIDDJIASIOV-NRFANRHFSA-N 428.923 4.969 30 10 IJEE C=CCOc1ccc(/C=C2/C(=O)N(CCC3=CCCCC3)C(C)=C2C(=O)OC)cc1OC 96822635 WLUQZBOBIBPIRB-LTGZKZEYSA-N 437.536 4.823 30 10 IJEE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(N2CCCC2=O)c1 96920243 VPRLQFGJMNPRGG-QXMHVHEDSA-N 434.499 4.957 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 106116409 AUCDOJLKAMOISQ-GOSISDBHSA-N 446.532 4.606 30 10 IJEE Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C#N)c1ccc(F)cc1F 111030265 KSGPJHDFRLUNEY-QGZVFWFLSA-N 429.423 4.721 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)c1 169944768 WGHXJLZDLQUMGW-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)s1 170019164 OAMYDQWUMVDETQ-SFHVURJKSA-N 439.924 4.900 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)cc1 170062180 ULLUVAWJMZKIIA-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170114953 MKWLWBRIYFXRFK-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(O)cc2)cc1C 170132555 LSLLVYBWERGVQA-QHCPKHFHSA-N 445.471 4.506 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OC(F)(F)F)c2)=C(c2ccc(OC(C)C)cc2)C1=O 170141818 BNFYXVGQPYIQSX-UHFFFAOYSA-N 446.425 4.750 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1C(C)C 170161976 JRDOIRMHKWOTBU-HRAATJIYSA-N 441.549 4.637 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@@H]1c1cccs1 170164112 HHARXQBXATWZAL-FQEVSTJZSA-N 443.565 4.669 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)c1 170186953 WMQFADDCOFTYFQ-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)ccc1Cl 170189136 UZKJNQGYLKMHPY-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170214896 ZFTDRCYIEOGOGB-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N3CCCCC3)cc2)o1 170401865 HYINQBNNAVBKAP-QFIPXVFZSA-N 432.476 4.954 30 10 IJEE CC(C)c1nn2c(C=NNC(=S)NCc3ccccc3)c(-c3ccccc3)nc2s1 254386475 NGSNZDLKQIISTR-UHFFFAOYSA-N 434.594 4.579 30 10 IJEE CC(C)[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 442080233 RKILJEHZKISYQI-CQSZACIVSA-N 433.430 4.716 30 10 IJEE C[C@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCC2 488759256 BMHFINVIXRAGIP-JTQLQIEISA-N 430.942 4.931 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 508480407 GMUBEDAOFWOUMZ-LJQANCHMSA-N 432.446 4.938 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCc3ccccc3-n3cccn3)cc2F)c1 510883517 OWNXDGQNMDKAEP-UHFFFAOYSA-N 441.466 4.784 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)n1 511740549 KFRDUISGLPXLDR-KGLIPLIRSA-N 430.361 4.524 30 10 IJEE COc1cc(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)ccc1OCc1cccc(C#N)c1 513537752 CINZEIJQCPXVCX-IODBPXAYSA-N 434.580 4.907 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccccc3)C2=O)cc1 526658033 ZYAAYCSTTMYOFT-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccccc2C(F)(F)F)cc1 526827130 KXPXZVDYKHDHNP-MYKKPKGFSA-N 434.443 4.566 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N[C@H](C)c2cccc(OCc3ccccn3)c2)CC1 540351220 FFROYUITTGUCGT-SYGLVGHYSA-N 434.584 4.631 30 10 IJEE Cc1c(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)nnn1Cc1ccc(C(F)(F)F)cc1 552590089 USQPRCPOPAHHPI-UHFFFAOYSA-N 445.420 4.581 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 556081145 XWDJBBNYWYHRBQ-FQEVSTJZSA-N 439.947 4.748 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C[C@H](c2ccccc2)O1 569711492 IEEZQGWRCGDTQG-CJFMBICVSA-N 435.531 4.831 30 10 IJEE C=CCN(Cc1ccc(C(=O)OCCC)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586133651 XSTRFEHWSPWMPL-UHFFFAOYSA-N 442.364 4.937 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCCc1ccccn1)c1ccc2c(c1)OCO2 603040471 JUMHROUMPPXVJG-UHFFFAOYSA-N 430.504 4.931 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(O)nc2ccc(Br)cc12 606168221 AMUNQRMEHLQWJM-UHFFFAOYSA-N 449.226 4.503 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccc(C)cc2)cc1 610030732 XIOMSZIZOCUMIT-GOSISDBHSA-N 443.503 4.526 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCOC1 670221477 OMZMCGHUNUMUEO-FQEVSTJZSA-N 436.531 4.712 30 10 IJEE C=CCC1([C@H](Cc2cc(F)ccc2Br)NCC)CN(C(=O)OC(C)(C)C)C1 722922989 NANURQSYBUGAHX-SFHVURJKSA-N 441.385 4.922 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 743199193 ABNMPJKUTOOGRW-UHFFFAOYSA-N 449.448 4.643 30 10 IJEE COc1ccc(NC(=O)[C@H](OC(=O)Cc2cccc(C#N)c2)c2ccccc2)cc1Cl 750432505 FLADFOBKNRIUPW-HSZRJFAPSA-N 434.879 4.686 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1=S 765059389 DBIVUGSXRSDSBK-BBTUJRGHSA-N 444.048 4.684 30 10 IJEE Cn1cc([C@@H](NC(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 773840983 VIWFMPFTBURKPT-PYLYLYNFSA-N 445.285 4.891 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NCc3ccc(Cl)cc3Cl)c2)s1 774662001 GFEUMMWGRGCCKH-UHFFFAOYSA-N 444.343 4.526 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)c1nnc(-c2ccc(F)cc2)o1 782289362 WVWGPMXFTKSORW-HNNXBMFYSA-N 434.427 4.544 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1=S 794662333 RFIQOFLPUSLNIE-KGLIPLIRSA-N 430.471 4.548 30 10 IJEE CC(C)(C)OCC[C@H]1NC(=O)N(c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1=O 804200579 NUPGKBVXOOTJLG-UYAOXDASSA-N 425.916 4.625 30 10 IJEE N#C[C@@H](C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C(=O)c1ccc(F)c(F)c1 826667097 SCYSVXZHAHJGOF-MFSIFVAZSA-N 436.296 4.980 30 10 IJEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 1083942007 JLPCZDSKHPGXJS-UHFFFAOYSA-N 428.484 4.922 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccccc2)C1 1116941544 WCVFOUBEJMGOTP-PGRDOPGGSA-N 438.959 4.901 30 10 IJEE Cc1nc(-c2ccccc2)sc1NC(=O)COc1cccc(Br)c1C#N 1127390209 AUPRMRPKQBUHLI-UHFFFAOYSA-N 428.311 4.770 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1127429410 FDLNOLFDEUSNRD-QGZVFWFLSA-N 447.000 4.562 30 10 IJEE C#C[C@H](NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)C1CCOCC1 1131257314 NVVOVXXCUYDBAP-DEOSSOPVSA-N 434.967 4.820 30 10 IJEE C#CCC1(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)CCOCC1 1133709209 CMOCWSIFRLYEDU-UHFFFAOYSA-N 436.581 4.660 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)cc21 1134354302 VXGLZIAKBDJDMN-IBGZPJMESA-N 443.334 4.772 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 1137343515 SRABFCWIBSUTCT-JOCHJYFZSA-N 430.589 4.813 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](C)c2nc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1137459075 GNJDAFMJGDGJKU-WAIKUNEKSA-N 429.586 4.862 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1 1154371644 BNYDRQLOQTWEAU-MRXNPFEDSA-N 431.558 4.879 30 10 IJEE C=C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1)c1ccccc1 1170875562 VYCOSIIDKFYEAC-KWXIBIRDSA-N 426.560 4.749 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 1181305290 OILDKAFCJQQSKU-WOJBJXKFSA-N 427.589 4.948 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(SC(F)(F)F)cc1 1186140896 IMDZIRDBCLKHED-UHFFFAOYSA-N 432.441 4.616 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N[C@H](C3CC3)[C@@H](CO)C3CC3)cc2Cl)c1 1199731167 BERWETHDRAKSAJ-NZQKXSOJSA-N 439.943 4.709 30 10 IJEE CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN[C@H](CC#N)C(F)(F)F)cs1 1207611481 IBHCGFKTQPLWQZ-CQSZACIVSA-N 436.381 4.781 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 1214911801 FQSXZGMYWRJDKQ-OAQYLSRUSA-N 426.948 4.957 30 10 IJEE C=CCc1cc(CNC(=O)NCc2ccc(Cl)cc2OC(C)C)cc(OC)c1OC 1221553849 URROLAJGYZWMMA-UHFFFAOYSA-N 432.948 4.872 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1c(C(F)(F)F)cnn1C)c1ccc(C(F)(F)F)cc1 1230693878 NJMIJFKBWDBBGC-OAHLLOKOSA-N 434.384 4.964 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(F)cc3ccncc23)c(C(=O)OCC)c1C 1264357173 GMROIKXDPMZGMX-UHFFFAOYSA-N 442.468 4.516 30 10 IJEE C#CCOc1cccc(OC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)c1 1265014559 GACXFXLJSVSONW-UHFFFAOYSA-N 440.249 4.526 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1275499109 VQONKKQULRHCDS-IBGZPJMESA-N 428.891 4.881 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286314653 GDCAZQFRSXTXNF-FQEVSTJZSA-N 426.008 4.714 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 1286335228 PBZUZSLUKNQWFQ-FQEVSTJZSA-N 429.609 4.780 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1cccc(C(F)(F)F)n1 1286424460 YBCRWCKFNJDIJO-UHFFFAOYSA-N 443.860 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCCS1 1286568311 STDHIBBUUMCZQV-LJQANCHMSA-N 448.036 4.550 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1286631288 GXCWPIOLHCWESN-UHFFFAOYSA-N 430.980 4.820 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1286644390 URRMTHBQBQDJLF-UHFFFAOYSA-N 445.489 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCCCC2)CC1 1286654117 DYSLQAPHIQWLPW-UHFFFAOYSA-N 444.023 4.886 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1286657100 SWQBAXWJSLYZJC-DENIHFKCSA-N 438.563 4.548 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1286662523 OEJUWVDPAINUGA-UHFFFAOYSA-N 427.980 4.624 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC=C(Br)C1 1286706616 RMEWRSFOOHSBBL-FQEVSTJZSA-N 445.405 4.902 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC[C@H]1C 1286754064 PINOLGWFESQSHX-IAGOWNOFSA-N 431.378 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1286759935 UWWHLXGMYVLAIO-UHFFFAOYSA-N 448.640 4.788 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)[C@@H](Sc3ccccc3F)c3ccccc3)CC2)cc1 1290045483 GNVUFZNWRTVNKS-VWLOTQADSA-N 445.563 4.875 30 10 IJEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1291077365 AMMXBHHUEBCJPX-RTOPAQNCSA-N 448.398 4.933 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C1CCCC1 1300284263 QTVTXZSUPUVRNR-GOSISDBHSA-N 425.646 4.608 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1300890663 VXRZYHORGUPTOZ-RDGATRHJSA-N 438.616 4.850 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1301149171 XZRPXUJFWRRTNH-OAQYLSRUSA-N 439.604 4.814 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N(CC)Cc1nc(O)c2sccc2n1 1301211783 MVPRVOFNUFYDRV-UHFFFAOYSA-N 438.532 4.787 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1301229573 UHZTVEZNHAZXHY-MBSDFSHPSA-N 434.588 4.702 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1OC 1301349241 LQMFVEXINNDJRU-RBBKRZOGSA-N 437.613 4.642 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(=C)CC1)C(C)C 1301366523 DGXPVLFFHBNWKI-QFIPXVFZSA-N 449.599 4.529 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1Cc1c(CC)noc1C 1301406370 QVRYFVCLXUEIJV-UHFFFAOYSA-N 431.540 4.989 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1301566012 IXJQWBUAFKBSQL-OALUTQOASA-N 436.572 4.927 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(Br)cc3)n2CCC2CC2)CC1 1303013617 HDEVIYHUQPUVMK-UHFFFAOYSA-N 444.377 4.550 30 10 IJEE CCC1(Cn2c(-c3ccc[nH]3)nnc2N(CCOC)Cc2ccc(C#N)cc2)CCCC1 1305901575 AYVVIONGJMFVTR-UHFFFAOYSA-N 432.572 4.768 30 10 IJEE CCCCn1cc(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)c(C)n1 1306718313 CZFLPKMEQRYHGJ-QGZVFWFLSA-N 439.995 4.614 30 10 IJEE CC(=O)[C@](C#N)(CCSc1nc2cc3ccccc3cc2c(=O)n1C)c1ccccc1 1307274700 UAHGEZJUNHCJBY-RUZDIDTESA-N 427.529 4.619 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1C(F)(F)F 1309120697 HSYWAUVBQWRKCG-LJQANCHMSA-N 426.435 4.926 30 10 IJEE Cc1ccccc1C1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCCCC1 1311819714 DSYWHAJKXQHKIS-XMMPIXPASA-N 430.596 4.617 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)c1ccccc1C(F)(F)F 1312306840 APVZYTCCTMCOHD-ROUUACIJSA-N 444.501 4.596 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 1313065816 XATKUZVOTFYVKP-MRXNPFEDSA-N 433.350 4.948 30 10 IJEE COCC1(Cn2c(CC(C)(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CCC1 1315847779 HRYPCOHZGJEGSE-UHFFFAOYSA-N 433.600 4.849 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OCc3ccc(F)cc3)n2CC=C)C1 1325205371 QVMNJIODIURBIY-NRFANRHFSA-N 434.515 4.631 30 10 IJEE Cc1ccc(CN(C(=O)c2ncc(C#N)cc2Cl)c2ccc3c(c2)OCCO3)s1 1353212478 HGZFGPCFZGGIMX-UHFFFAOYSA-N 425.897 4.595 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 1357743946 LNVICPNMIRJOCV-KROBSHITSA-N 436.983 4.992 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1cccn1-c1cccc(I)c1 1357786202 XRZFQZDSDDVFNU-UHFFFAOYSA-N 446.288 4.546 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 1358065167 GDIBTFRTGVXWHG-KRWDZBQOSA-N 437.393 4.921 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccc1OC 1358972710 PWDHMDMXZGQMNJ-UHFFFAOYSA-N 444.604 4.600 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)c1nccs1 1359128147 LIVOURCNPBGLGF-KRWDZBQOSA-N 437.569 4.980 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nnc(C)s2)CC1 1359174316 ZXCDXRFZAJLSRM-AWEZNQCLSA-N 444.992 4.682 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@](C)(O)c1cc(C)oc1C)C1CC1 1359248570 UAZYLEYIGJTYKK-QHCPKHFHSA-N 426.948 4.871 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CCCCC2)C1)C(C)C 1359265207 AUDKTCMDHFDRBV-PKTZIBPZSA-N 441.664 4.641 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(F)(F)c1ccc(OC)cc1 1360644228 SLKUHSUYIYJIFV-UHFFFAOYSA-N 428.248 4.903 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)C(C)(C)C)cc1 1459188704 KJUUUXYZVKHONQ-OAQYLSRUSA-N 428.479 4.850 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)cc1OC 1461476953 NUVBAQNYPWOYNC-GOSISDBHSA-N 426.985 4.942 30 10 IJEE C#CCN(C(=O)CCc1nc(-c2ccc(OCC)cc2)no1)[C@@H]1CCCc2ccccc21 1463009955 SPVKJIXEDUGUMC-HSZRJFAPSA-N 429.520 4.607 30 10 IJEE C=CCNC(=O)c1csc([C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)n1 1463655851 MDMJZEBGFBTQCZ-HNNXBMFYSA-N 433.533 4.659 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 1469492707 WBGVCJPBMVSFME-MSOLQXFVSA-N 425.495 4.801 30 10 IJEE CCc1c(O)nc(SCc2ccc(C#N)cc2OC(F)F)n(-c2ccccc2C)c1=O 1472986476 GADBUAKYJNIZIW-UHFFFAOYSA-N 443.475 4.574 30 10 IJEE C=CCOc1ccc(CNC[C@H](CO)Cc2ccc(C)c(Br)c2)cc1Cl 1474149059 FTKXYFJJCQVUIB-GOSISDBHSA-N 438.793 4.917 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]1CCCN(CC2CC2)C1 1476100056 GRQWZEAMFPKVKJ-QHCPKHFHSA-N 432.568 4.689 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 1476331644 YGWLRHFBIQJUQT-NRFANRHFSA-N 435.549 4.796 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n12)c1ccccc1 1476656229 BRWTURAONAUHGV-SFHVURJKSA-N 430.899 4.558 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@@H](F)C1 1504447075 BKAJUQXKAHJTRC-RTBURBONSA-N 443.592 4.847 30 10 IJEE CS[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1505177315 DHUNAUPVOFLWGY-FRQCXROJSA-N 433.597 4.931 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(C)OCCc2sccc21 1507527707 KSBWZEKMPDHSJC-QRQCRPRQSA-N 426.973 4.606 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC(C)CC1 1507548531 VDIRXIZZEPZGIO-MOPGFXCFSA-N 446.064 4.802 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(Cl)s1 1507603172 SKYSNTOLMGMQLO-OAHLLOKOSA-N 430.961 4.649 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1C1CCC1 1507789538 DRTXTSUAVLFBDI-HXUWFJFHSA-N 445.405 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1507795589 DTXLJXWYDDBZKK-NKRSRWBGSA-N 440.588 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1507798322 NVSPXWLPMGOECF-GPXNEJASSA-N 440.632 4.716 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1507832629 KHLJDNUTDHAQIY-NZQKXSOJSA-N 437.613 4.814 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC(F)(F)F)cc1 1508017807 INXXGMUFZJFMSE-UHFFFAOYSA-N 429.446 4.774 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1c(C)noc1C 1508026922 XFJBLULRPMELCP-LJQANCHMSA-N 444.583 4.927 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC1=CCCOC1 1508027106 XZEBBGVNTLGACU-UHFFFAOYSA-N 435.959 4.575 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1cscc1C 1508036634 FJCQRLHTGLLHDG-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC=CCC1 1508038840 WQVMCMGVCSGILA-QGZVFWFLSA-N 431.378 4.703 30 10 IJEE CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1CCc1ccc(Br)cc1 1508484861 CTCBDUFWGKRPDE-UHFFFAOYSA-N 430.394 4.711 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1512805764 FSDURKVTDZCPJE-MSOLQXFVSA-N 440.592 4.555 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCN(CC)CCC(F)(F)F)cc1 1513635994 ANESGAMRIFLSSJ-UHFFFAOYSA-N 448.537 4.522 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1515210608 GFOMWOOSZNKTAF-WWPVKYPJSA-N 439.604 4.663 30 10 IJEE C#CC[C@H](NC(=O)CCCCc1ccc(I)cc1)c1ccccc1 1518872021 ABLKMTXVHRSNIP-FQEVSTJZSA-N 431.317 4.885 30 10 IJEE C=CCOc1ccc(CNC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 1520958380 RHQHJBLYHUZIRZ-VWLOTQADSA-N 428.532 4.737 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CCCN1C(=O)OC(C)(C)C 1524283250 XRLDONINRKRWIS-HSZRJFAPSA-N 443.544 4.989 30 10 IJEE C#CCCOc1ccc(C(=O)Oc2cccc(OC(F)(F)F)c2Br)cc1 1534150127 OYIRUYGQPKBSRC-UHFFFAOYSA-N 429.188 4.969 30 10 IJEE O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 1535020135 GSXUXOKHYOUYCN-HOTGVXAUSA-N 434.311 4.757 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1535242510 HLFVHQTULWTQQW-UHFFFAOYSA-N 440.931 4.521 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1535745568 WCYYENTZUCZNAM-QHCPKHFHSA-N 447.604 4.586 30 10 IJEE Cc1cc(C2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)CC2)ccc1Br 1539275942 DMEJXWGVUFIELW-UHFFFAOYSA-N 426.358 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@H]1C(C)C 1539539941 AACYIURAOZNBDQ-LJFZDNNRSA-N 444.526 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC1(CCOCC)CCC1 1539566991 QXPAQLVJFZZWRR-RUZDIDTESA-N 436.600 4.755 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCSc2c([nH]c3ccccc23)C1 1539575023 VADRPBIFYAGUCB-UHFFFAOYSA-N 432.391 4.904 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CC)Cc1c(F)cccc1F 1539629725 XZHLFLBUXXGKQK-VGOFRKELSA-N 441.526 4.570 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CCC(C)(C)C)CC1 1539982310 UOGVCFRTNSNBFG-UHFFFAOYSA-N 447.631 4.860 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCN(C(C)C)C1 1540058328 USMYWJIPWCAERS-OAQYLSRUSA-N 449.599 4.860 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cc(COC(C)(C)C)on1 1540069394 ODUIMKIRSHKZRU-UHFFFAOYSA-N 448.527 4.574 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CCc1cc(C(F)(F)F)ccn1)C1CC1 1540111502 LMGQYVAJNZPHSS-UHFFFAOYSA-N 445.464 4.819 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3c2cc(F)c(F)c3F)nnc1-c1ccco1 1540193830 ZDUDSZXWJJGHRT-UHFFFAOYSA-N 448.470 4.603 30 10 IJEE C#Cc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)c1 1540337565 WGMMSLIEBADGOT-UHFFFAOYSA-N 435.277 4.641 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540853869 TUFLPOTYKKBTOB-WSTZPKSXSA-N 429.996 4.547 30 10 IJEE C=C[C@](C)(O)CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1542531970 XFLGEYRICPBOKJ-NQIIRXRSSA-N 439.408 4.598 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1545472867 IEDQQFOMRNNRCY-BVZFJXPGSA-N 446.555 4.815 30 10 IJEE C#C[C@H](C)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CCC2 1556310438 XMNARNPHOSISQN-BYFYWULKSA-N 426.516 4.880 30 10 IJEE C=CCn1c(Sc2ncnc(C(F)(F)F)c2Br)nnc1-c1ccoc1C 1559058792 HCIQEPFGLZJRME-UHFFFAOYSA-N 446.252 4.755 30 10 IJEE C=CCN(Cc1cc(C)cc(Br)c1O)[C@@H](Cc1ccccc1)C(=O)OCC 1560757264 JAMFPRVPNKMBHT-FQEVSTJZSA-N 432.358 4.626 30 10 IJEE CC(=O)N1CCc2cc(NC(=O)Nc3cnc(Oc4ccccc4C#N)cc3C)ccc21 1563028844 LSUHHKXJKILBCY-UHFFFAOYSA-N 427.464 4.607 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1)c1ccccc1 1568623067 DJOOIURTHIVJHJ-QFIPXVFZSA-N 435.549 4.712 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1)c1ccccc1 1585924882 PLQDPVXLFYZFSV-RBUKOAKNSA-N 432.442 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOC1CCCCCC1 1587573923 AHFDTOYLCUZESI-FQEVSTJZSA-N 431.584 4.999 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(SC)CCC1 1587661457 BTJBLMBYEXTNRD-GOSISDBHSA-N 447.048 4.995 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1587964414 JPJFBUVUADHWAT-GOSISDBHSA-N 432.565 4.508 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1588482814 WITQKZCEDRRYDE-ZJSXRUAMSA-N 449.574 4.514 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1589615525 QWDLUWQSYNHPJT-UHFFFAOYSA-N 448.999 4.699 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1593807085 ICIIHSWTIMCDKG-OAHLLOKOSA-N 434.968 4.609 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC2CCOCC2)CC1 1594241386 ORONSZPUNPXHJT-UHFFFAOYSA-N 430.543 4.756 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1594499112 ZUBVLAYSZVDACW-GGAORHGYSA-N 437.632 4.880 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)c2nccs2)C1 1595699395 CYVPTDXBJLRGCX-HOCLYGCPSA-N 447.967 4.779 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C)CC1 1595845318 RMZSOOXCCWPNGZ-OAHLLOKOSA-N 438.439 4.592 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)c(Cl)c3)cc2n1 1611188694 XBWMGKRJIKDLBO-HRAATJIYSA-N 443.334 4.687 30 10 IJEE C#CCN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)[C@@H]1CCCc2ccccc21 1611223960 VMRGEZWGLNDWBJ-LJQANCHMSA-N 425.410 4.908 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1614087325 DBNIQNSJZQPONN-OXJNMPFZSA-N 436.947 4.569 30 10 IJEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2nc(C)cs2)C1 1614193585 AEZHQFPQRHXJLY-FUHWJXTLSA-N 436.585 4.534 30 10 IJEE C#Cc1cccc(N(C)CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)c1 1615451278 PSLGKHHQDSPICX-UHFFFAOYSA-N 438.936 4.911 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](c1ccco1)N1CCCCC1 1619380577 CRCQFCQSPSTVCB-FPOVZHCZSA-N 448.571 4.512 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 1624134004 WLPOMVVLHYIQEJ-UHFFFAOYSA-N 431.577 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)C1 1625057099 AQSGLAREEUNHKN-CWBXHPNXSA-N 437.584 4.547 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1627025412 BUEIGVMMSUBWPZ-IBGZPJMESA-N 436.512 4.864 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1627129624 GCGYWFPOFTXSPY-JTSKRJEESA-N 447.535 4.960 30 10 IJEE C=CC1(CC(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)CN(C(=O)OC(C)(C)C)C1 1629677509 WUCPVNTVXSVCMH-UHFFFAOYSA-N 442.585 4.616 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)cc(Br)c1O 1631990696 AAKPRHUGARRCAT-UHFFFAOYSA-N 448.704 4.811 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 1633111759 ZGXFMUCWIFTZBQ-UHFFFAOYSA-N 430.552 4.603 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1nc(CN(C)C)cs1)c1ccc(C(F)(F)F)cc1 1633471094 MLQDEFMJBTXYTM-QGZVFWFLSA-N 426.508 4.730 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(F)c(F)c1 1634434338 ASUVUKIAWAWGOZ-JOCHJYFZSA-N 448.535 4.538 30 10 IJEE C#C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cl)cc1F 1635192522 XIUZXBGWHZXQCH-SECBINFHSA-N 438.577 4.902 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)cc21 1636358272 ROCNIDPQSCMGIF-RUZDIDTESA-N 427.504 4.864 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1640397083 GINJQINQIDMJAV-SIKLNZKXSA-N 426.582 4.969 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 1642542403 XQGZRJCHUOVPOB-QFIPXVFZSA-N 434.561 4.713 30 10 IJEE C=CCCC(=O)CSc1nc2sc(CC)c(C)c2c(=O)n1-c1cccc(OC)c1 1643498382 WGDZZDLKEFZACX-UHFFFAOYSA-N 428.579 4.954 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)C1 1646456534 YLJHFZJQVVPIRQ-OAHLLOKOSA-N 430.957 4.529 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C#N)C3)ccc2C)cc1 1651576899 GRRRTADQPOFHAZ-HXUWFJFHSA-N 439.581 4.514 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C2CC2)cc1OC 1651829227 HCXBGOKNVPNKIA-LUHYECIISA-N 449.547 4.826 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1652925288 AYVAPVATMYRCJH-LJQANCHMSA-N 449.661 4.620 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(OC)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1655969849 JDDHMUKCUDSVOT-CQSZACIVSA-N 440.590 4.752 30 10 IJEE FC(F)(F)C(F)(c1ccc(NCc2cn(Cc3cccnc3)nn2)cc1)C(F)(F)F 1658183045 BUJMDDWZPBLVID-UHFFFAOYSA-N 433.331 4.623 30 10 IJEE C=CCN(Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 1658452670 DJRMEIIRQGGXCI-INIZCTEOSA-N 427.900 4.586 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(C)cc2cccnc12 1661876397 UKJHDSUXULWBNI-UHFFFAOYSA-N 449.345 4.822 30 10 IJEE C=CCN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1663845331 NFZILZXJHBZBPS-SFHVURJKSA-N 426.365 4.961 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 1666587459 MYFQLAAQHMHWGG-UHFFFAOYSA-N 437.543 4.876 30 10 IJEE CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCCCC1 1667490096 FVQHIVHYKNIJQU-UHFFFAOYSA-N 440.466 4.926 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCCC[C@H](NC(=O)OC(C)(C)C)C3)cc21 1673312409 XMTQXAHYCWGBDW-IBGZPJMESA-N 427.549 4.524 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 1673405883 IZKKJAUFBMUHBA-UHFFFAOYSA-N 428.440 4.864 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)N(C)c1ccccc1 1674194466 LHLQYMPGFMGXSV-INIZCTEOSA-N 434.353 4.811 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)c1ccc(Br)cc1 1676358896 WQQLJYJQQYYNDS-YADHBBJMSA-N 440.385 4.568 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ccc(F)c(Br)c3)cc2)nc1 1679027615 DKSKFOWVNPUQIG-UHFFFAOYSA-N 441.260 4.969 30 10 IJEE C#CCCCCNC(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1680275418 WIFUMOWPBYLJTJ-UHFFFAOYSA-N 445.357 4.639 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)C(C)C 1681568483 YQHWJLHWUIFLIB-NRFANRHFSA-N 439.431 4.524 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccc(Cl)cc1F 1683689747 RYVOJECGDSOBKY-NRFANRHFSA-N 445.325 4.952 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)c1ccc(Br)cc1 1686920101 TVEJWQVXUVRJEY-LJQANCHMSA-N 430.302 4.652 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCSC1(C)C 1689972362 MJVMNLSUKQOZIA-GOSISDBHSA-N 447.048 4.853 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1690062050 AQQLSTQLNQMJHO-WOJBJXKFSA-N 428.024 4.816 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H]1CCCCN1CCCC 1690209415 WPRNNVWIUKQEOR-ZJSXRUAMSA-N 425.646 4.577 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@H](COC)C1 1690306320 TUCQNHMOJHXBEN-KRWDZBQOSA-N 436.959 4.583 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOc2ncccc2Cl)CC1 1690377601 JWXOPYPLUYIGQO-UHFFFAOYSA-N 444.366 4.806 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H](C)CC(N)=O 1690454015 QOSSDKGVCKXJIL-CQSZACIVSA-N 431.993 4.870 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@]1(O)CCCC1(C)C 1690553729 FCUQSNORUOTRQJ-VWLOTQADSA-N 426.605 4.718 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C)s2)C1 1690712291 RRLOGUOKPUKXCH-HXUWFJFHSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 1690747085 SHCKZLGMJXAZFD-IBGZPJMESA-N 442.629 4.899 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(C)(C)C)C2)cn1 1695456422 FUPBZLAKWSKEBL-QFIPXVFZSA-N 444.583 4.921 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(CC)CC 1705477302 LZPPYUONQGUJPR-VAMGGRTRSA-N 446.039 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1CC(C)(C)C1 1705481522 IHMDXBUTLOSXER-CQSZACIVSA-N 431.378 4.610 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1705517992 ICTIPKWWKBUUNF-NRFANRHFSA-N 447.627 4.918 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](CC)C1 1705529420 IIHOWAWBKXMBAF-HNNXBMFYSA-N 437.382 4.592 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CCC(C)C)C1CC1 1705531338 GHZHQWRCMJIWPQ-UHFFFAOYSA-N 446.599 4.664 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705664606 VBZGRVVFFUKQKS-YADHBBJMSA-N 438.641 4.857 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1705815285 QMIILGXNDISCNZ-LJQANCHMSA-N 425.577 4.605 30 10 IJEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1705889861 IQJHZJCREVCUJD-KBPBESRZSA-N 427.496 4.565 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2sccc2C)C1 1705923167 AEGJGYIJXSHTLH-FQEVSTJZSA-N 443.016 4.916 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1705949118 OVUGTMSEMBPAOF-QHCPKHFHSA-N 425.602 4.523 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1706124370 CAPCMWCMCZKPFP-PMACEKPBSA-N 443.542 4.894 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(c2ccccc2C)CCOCC1 1708450839 FAKRMONHTGGPEH-FQEVSTJZSA-N 435.616 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)cc(OC)c1 1722278346 CVQBOZAIVRAFSZ-CVEARBPZSA-N 438.572 4.785 30 10 IJEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@@H](SCC)C1 1722317373 SWNSSBMLXHJKED-DENIHFKCSA-N 440.613 4.706 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CC=CCC1 1722333075 HCUADNGDOOTTOK-FQEVSTJZSA-N 441.620 4.599 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1nc(C)cs1 1722375873 RQRHPHQAFKLBKC-UHFFFAOYSA-N 447.564 4.699 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722389384 SFKPMFGRQBICIG-IDISGSTGSA-N 443.595 4.665 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1csc(CC)n1 1722389926 MZTTWPYDSFWHDL-KRWDZBQOSA-N 449.649 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CC(C)(C)c1ccccn1 1722475463 ZWVWWKOHDHJTAD-HHHXNRCGSA-N 427.596 4.818 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccccc1OC 1722482624 CFCVXLLJBFATGH-GOSISDBHSA-N 440.345 4.599 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccc(C)o1 1722533191 KSYZYPQEVQUOLP-NRFANRHFSA-N 442.510 4.983 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC2CC2)CC1 1722576623 RCRHGKGAGAOABD-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCC2)C1 1722583674 QNZDWLIPIWTVEY-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc2nsnc2c1 1722595466 PWFLGWWEKBKDSI-UHFFFAOYSA-N 433.585 4.884 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722609180 AEOJTJRQFYSLJK-ZWKOTPCHSA-N 448.976 4.694 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1CCc1sc(C)nc1C 1722652812 NXGSTDPKBLOLBY-UHFFFAOYSA-N 425.602 4.919 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(C)ccc21)C(C)C 1722665221 LLVHCCOJCCWWQD-NOZRDPDXSA-N 449.643 4.873 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1cc(C(C)(C)C)no1 1722676537 CRXUFXIXZMDJSK-FQEVSTJZSA-N 439.560 4.682 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCSC(F)(F)F 1722676653 HCJJMYZBLMOKAN-INIZCTEOSA-N 430.496 4.601 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1 1722685565 GCALCCRWPISPJP-UYAOXDASSA-N 425.577 4.776 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722707412 OLWRIDPQQMLVHB-DHIUTWEWSA-N 447.583 4.593 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)C)CC1)SC 1727143104 DUPOELDEHSZUOW-UHFFFAOYSA-N 440.661 4.659 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@H]2CC)c1 1740564378 LFRALRZOZDSIEE-RTWAWAEBSA-N 435.616 4.749 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1740567686 UWIQHAKIMAMBHP-ZWKOTPCHSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCC)CCc1cccs1 1740590822 JWMHGNSHPZVLKG-QFIPXVFZSA-N 436.581 4.725 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](SC)C(C)(C)C 1740633710 QNEUKGZBIAQDPI-UWJYYQICSA-N 440.682 4.982 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC(C)(C)C)CC1 1740713496 GEQYIOVKBCJLNH-UHFFFAOYSA-N 433.021 4.749 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740787095 ACBKJULOAAKEBG-SFHVURJKSA-N 446.567 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(CSC)cc1 1740892800 MUHSEPNZNLWWES-UHFFFAOYSA-N 446.418 4.580 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H]1CCO[C@@H](C)C1 1740894067 HRVBYTYNLLSCGO-UONOGXRCSA-N 425.396 4.597 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1741006056 BCBHRTKDGRJKSZ-XMTFNYHQSA-N 442.620 4.843 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1ccsc1 1748656303 PVUOLUKGYKCGCD-ZDUSSCGKSA-N 433.350 4.609 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(COC)CCCCC1 1748775027 BYMMLUXNQPRVPJ-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1Cc1cc(COC(C)(C)C)on1 1749162254 LKAHKMKFIWSMKI-UHFFFAOYSA-N 437.588 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(CC)C1 1749166244 YAQAPXNGAZBTDP-OAQYLSRUSA-N 439.648 4.899 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC1(C)C 1749399039 ZGKWVXKKWHKYCL-UHFFFAOYSA-N 434.588 4.971 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(OC(C)C)nc1 1749466165 LTZYFDAYJVGACS-KRWDZBQOSA-N 441.963 4.924 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1749510124 AEOZOXLHWRLBFU-HOYKHHGWSA-N 438.576 4.519 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749615925 FFWAMMCERBKOBF-QZTJIDSGSA-N 429.996 4.568 30 10 IJEE CS[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C)C(C)(C)C 1750252355 GVJBHFUIQVNKNM-SLFFLAALSA-N 439.629 4.599 30 10 IJEE CC(C)SCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1751058756 CJIMVERLAVGXAG-VGOFRKELSA-N 431.581 4.829 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CCCS1 1751256998 BEQJHGBRNRVGIV-ONGXBYRLSA-N 449.983 4.799 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CC=CCC1 1760273816 DGAXGTRIZZGHKI-KRWDZBQOSA-N 445.430 4.867 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1760295264 AVUIEASEFSZLTL-HSZRJFAPSA-N 431.625 4.552 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760352175 QYBCJTAHNWIRCA-CALCHBBNSA-N 433.394 4.701 30 10 IJEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)Cc1cccs1)c1ccccc1 1760365387 WROFIUUBOHQIGO-UNMCSNQZSA-N 438.597 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760398611 FEGGZHHEADWLJO-KSFYIVLOSA-N 447.421 4.907 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1760444493 JCGZDHZLXIQPNE-TZIWHRDSSA-N 441.576 4.750 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnccc1OC 1760458028 PXIDXSMBGAOZIL-UHFFFAOYSA-N 435.528 4.887 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCc2sc(C)nc2C)c1 1761661933 HKIWMEZPNWNPPH-QGZVFWFLSA-N 438.601 4.528 30 10 IJEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCCCC(F)(F)C1 1764949384 DNNXDWYJVZKKOQ-ICSRJNTNSA-N 429.515 4.506 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)(C)C 1771397863 FNPWQNGGQFQOPB-TXPKVOOTSA-N 429.659 4.925 30 10 IJEE COc1ccc(-n2nc(C(=O)Nc3ccccc3C#N)cc2-c2ccc([N+](=O)[O-])cc2)cc1 1859411267 WYEFUWBJSSWSSG-UHFFFAOYSA-N 439.431 4.580 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)c(O)c1 1862416284 FJCYVCRHIFIQRS-FQEVSTJZSA-N 431.435 4.535 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862443985 VEPIDHWZSBZQGJ-HXUWFJFHSA-N 439.920 4.928 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(O)cc1 1862639317 VVNVRCJTKOLIOL-OAQYLSRUSA-N 427.472 4.699 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(OC)cc1 1862663261 QAEJPUZRNBSNSO-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(OC)c1 1862741375 QLWKYQJBLDTQEJ-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(F)c3F)=C(c3ccc(F)cc3)C2=O)cc1 1862769859 SXAHPBUECMHCGO-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(CC)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862835851 ZBEZOYISXMHRFS-UHFFFAOYSA-N 437.499 4.916 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3c2CCCC3)=C(c2ccccc2F)C1=O 1862934049 KDEZUYZFIDGVSO-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)c(C)c2)C1=O 1863260259 HURRMYIUVNLRKN-UHFFFAOYSA-N 431.536 4.574 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(OCCC)cc2)C1=O 1863686088 XLANUXIMTWWNBG-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE CC[C@@](C)(NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866772317 RHTDRQXKBGYWCB-BKMJKUGQSA-N 435.568 4.929 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H](C(=O)OCC)C2)nc(-c2ccccc2Cl)n1 1867979385 DKDZGLHDDLDJKE-SFHVURJKSA-N 440.975 4.755 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)nc(CC)n1 1869125238 BXZHPMURTUHBNN-UHFFFAOYSA-N 434.584 4.634 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 1870105536 XBENIISBMRHPIO-UHFFFAOYSA-N 435.531 4.894 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccc(Cl)cc3)c(CN3CCCCC3)cc2=O)cc1 1870350014 MIFKBFDZHXTKCK-UHFFFAOYSA-N 447.966 4.987 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1Cc1ccc(O)cc1 1870466348 GHGHOYHSQOJIEA-UHFFFAOYSA-N 444.575 4.918 30 10 IJEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(OC)c(OC)c2)cc1=O 1870809700 QUNDHUXTHIKHOG-UHFFFAOYSA-N 434.536 4.594 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(Cl)c(C)c2)cc1=O 1871007494 FZMIMCDYSLJEDT-UHFFFAOYSA-N 429.992 4.556 30 10 IJEE CN(C)CCCN1COc2ccc3c(c2C1)O/C(=C\c1c(Cl)cccc1Cl)C3=O 1871346105 FDMGQOZMSULSGG-JAIQZWGSSA-N 433.335 4.713 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])cc(C)c2C1=O 1871370719 ATKSMYKPQSIERS-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE Cc1cc(OC(=O)c2ccc(OC(=O)C(C)C)cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 1871391314 XNXSJULOAPPNIH-XKZIYDEJSA-N 443.455 4.787 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OCC(=O)C(C)(C)C)c2C)C1=O 1871419550 LLPJSOPWJVSLBF-NHDPSOOVSA-N 440.492 4.631 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871435070 XVPIQSHVKYWWRY-OYKKKHCWSA-N 443.499 4.623 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)O/C(=C\c1cccc(Br)c1)C2=O 1871461090 VEGMUCLUKKTSAI-UNOMPAQXSA-N 444.325 4.621 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2C[C@@H](C)O[C@H](C)C2)n1 1871583782 BQMYYUAECGAIOC-WOJBJXKFSA-N 440.636 4.986 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872233925 YARFKYHRVFOBQP-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872246348 GSPMYPCSBLNIII-UTKZUKDTSA-N 434.989 4.960 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(F)cc1 1872498895 FIUYGLQXLBZQFU-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872563824 YWKGHVYAQIUWIS-FQEVSTJZSA-N 444.597 4.523 30 10 IJEE CC[C@H](C)[C@H](C(=O)[C@@H](C#N)c1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O 1872774386 PFNBLSQODNVGOG-URKNILKWSA-N 449.557 4.759 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(F)c2)cs1 1872775040 IXFMPXBIGZICPB-MRXNPFEDSA-N 438.480 4.778 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3ccccc3C#N)=C(c3cc(F)cc(F)c3)C2=O)c1 1873318898 SGXSEMHDYDNTPK-UHFFFAOYSA-N 443.453 4.846 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1873609563 ICNQUMIICCLPQI-UHFFFAOYSA-N 427.508 4.533 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccncc2)cc1 1874293252 UDFUCWDGGZPDCH-VULFUBBASA-N 449.511 4.574 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874343499 UJOSWWGTRRUCQH-ZMOGYAJESA-N 442.972 4.696 30 10 IJEE Cc1ccc(COc2ccc(/C=N/n3c(SCCO)nnc3C3CCCC3)cc2)cc1 1874458067 VSGZQHOVDMJIPC-PCLIKHOPSA-N 436.581 4.790 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccco1 1874468831 ZNMMWEPFPLEBGE-BIKZULFDSA-N 445.548 4.698 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2)nnc1C(C)(C)C 1874483941 VTHUMYJXRQDJHX-ZVHZXABRSA-N 437.569 4.506 30 10 IJEE COCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874498005 MIYUGNNNGPKSOO-ZMOGYAJESA-N 440.569 4.703 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(Cl)cc1Cl 1874498370 FHUKQFJQFSJPIX-UFFVCSGVSA-N 427.357 4.780 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1cccc([N+](=O)[O-])c1 1874502352 CWQJDFVVHGEKSM-YDZHTSKRSA-N 433.493 4.660 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1cccc(F)c1 1874504037 HOXANBVVOFQRHR-ZVHZXABRSA-N 425.533 4.545 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C(C)C 1874516711 CTMALQQETWLYGP-BFTVFPACSA-N 427.599 4.623 30 10 IJEE CCCc1ccc(OCc2nnc(S)n2/N=C/c2ccc(OCC)c(OCC)c2)cc1 1874566974 XWOUNRGETXMKKF-BUVRLJJBSA-N 440.569 4.778 30 10 IJEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc2OC)o1 1874595107 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441.385 4.806 30 10 IJEE C#Cc1ccccc1CNC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2180046692 ASSUWBYADXUGLI-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(Br)cc2C#N)N(C(=O)OC(C)(C)C)C1 2181145782 BYSOCXANGKWVEN-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3cc(Br)cc(F)c3C#N)C[C@@H]2C1 2206330225 NYSKSZMTAMMKPA-KCQAQPDRSA-N 438.341 4.589 30 10 IJEE CCC[C@@]1([C@@H](C#Cc2ccccc2Br)NC)CCN(C(=O)OC(C)(C)C)C1 2235720200 OZZCABXDQJZFQI-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@@H](CC)CCN1C(=O)OC(C)(C)C 2235730737 OZOICLFRDKKHLO-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE C=C(c1ccccc1)[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237406209 AJLRQBJFJFUUBO-VQTJNVASSA-N 431.374 4.926 30 10 IJEE CC(C)(C)OC(=O)N(CC[C@H](N)C#Cc1ccc(Br)cc1)Cc1ccccc1 2242585017 OPFIIKUSQHGFIQ-OAQYLSRUSA-N 443.385 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C[C@H](O)C#Cc1ccccc1Cl 2245956811 ASLXGZVROSRNDM-NHCUHLMSSA-N 429.944 4.553 30 10 IJEE 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CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296296185 LEXLWGDDLWDPKE-MOPGFXCFSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2296308315 GLKOTBKQUXQXHL-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE COc1cccc(COc2ccc3c(c2)OC(=Cc2cc(OC)c(OC)cc2OC)C3=O)c1 2314437293 IJOLLLFIIFQZJH-UHFFFAOYSA-N 448.471 4.916 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2317311409 OZLMTJJWWUZKLM-UHFFFAOYSA-N 429.370 4.538 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2cccc(OC)c2)C4=O)cc1 2321937389 QLXFRPCSICRNDD-UHFFFAOYSA-N 443.499 4.715 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccccc2OCC(=O)N(CC)CC)c1 2322860362 QBWLAVWAXGOSJQ-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 2324662325 WZTWPUFVBHEPAX-UHFFFAOYSA-N 437.279 4.703 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4F)c3C)C2=O)o1 2325532370 CRBFJUFOFKPPDJ-UHFFFAOYSA-N 443.377 4.947 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)c1 2325730247 XXUNTGUFQFLTCR-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2N=Cc2ccc(F)cc2)cc(C)c1Cl 2326148909 ZKSMQQSNNSHCRQ-UHFFFAOYSA-N 448.951 4.623 30 10 IJEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326356953 UAVKTYQVEUNQQN-UHFFFAOYSA-N 431.905 4.585 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)cc1 2326783737 MNDYEEBEJQZLHS-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2328889960 FVLIUUOYOSJRLF-UHFFFAOYSA-N 446.960 4.836 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2N=Cc2cn(C)c3ccccc23)cc1C 2328966559 UZIUPTSALQHDCT-UHFFFAOYSA-N 447.608 4.529 30 10 IJEE Oc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1 2329341331 JFIABROYMBWQOG-UHFFFAOYSA-N 430.533 4.875 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2cccc(F)c2)o1 2331069042 LKNNTCRCOQGZGD-UHFFFAOYSA-N 428.489 4.629 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccco1 2331228647 ZNMMWEPFPLEBGE-GOSISDBHSA-N 445.548 4.698 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1ccc(Cl)cc1 2331346015 RBQPMKQWWCDOJC-UHFFFAOYSA-N 436.025 4.897 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1Cl 2331673520 OGSDQUUYUXOGSO-UHFFFAOYSA-N 431.924 4.807 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(Cl)c1OC(=O)C(C)C 2331885486 SJTICWBNFIOBHM-UHFFFAOYSA-N 448.899 4.832 30 10 IJEE CC[C@@H](NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338510743 AHEKEPVVCBGPPX-GHTZIAJQSA-N 446.441 4.530 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2342471007 MSRPSTGLIOVAMX-GOSISDBHSA-N 442.365 4.742 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 4212900 OGOGNXCKNMTIFV-UHFFFAOYSA-N 434.565 4.544 30 10 IJEE C[C@@H](C=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 8217105 USFJGINJGUIFSY-IUFSEJPUSA-N 434.661 4.589 30 10 IJEE endogenous,in-man Cc1cccc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2cc(Cl)ccc2C)c1 32973517 IEWRSMRYUVBJQR-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE C=CCOc1ccc(/C=C2/SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1OC 34930732 TWLUYLVVDQCQEG-HMMYKYKNSA-N 437.517 4.804 30 10 IJEE CC(=O)Nc1ccc(C(=O)/N=C(/NCc2ccncc2)Nc2cccc(C(C)C)c2)cc1 35481078 ZCNFBGWQGGQEPX-UHFFFAOYSA-N 429.524 4.562 30 10 IJEE CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CCOC)C2=O)c(OCC)c1 38212371 QSSALCBNGKPIME-BRBBDLJVSA-N 426.538 4.734 30 10 IJEE C=C(Br)Cn1c(CCCNC(=O)Cc2ccccc2Cl)nc2ccccc21 40208581 CWIIKMCAOYVOEK-UHFFFAOYSA-N 446.776 4.890 30 10 IJEE O=C1/C(=C\c2cccc(Cl)c2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 102769904 GEHSJSAEJITCGL-RGVLZGJSSA-N 430.840 4.863 30 10 IJEE CCCc1nc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)sc1CC 108389115 DDPQDZZWGUREOQ-UHFFFAOYSA-N 439.541 4.633 30 10 IJEE CCCCCCn1c(N/C=C2\C=C([N+](=O)[O-])C=C(Br)C2=O)nc2ccccc21 136005279 CFBIBCIAILSGIM-BUHFOSPRSA-N 445.317 4.935 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1OC 169949791 HFIAVXVJQIHIOL-QHCPKHFHSA-N 435.520 4.842 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(O)cc2)cc1 169959538 IRQZMIWETXROKE-FQEVSTJZSA-N 434.517 4.811 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccs1 169982761 BKRUBKMYVYCICJ-SFHVURJKSA-N 440.546 4.609 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccncc2)cc1C 170024955 IJQAOEGFVMCSHJ-HSZRJFAPSA-N 430.479 4.659 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c[nH]c2ccccc12 170076526 JADSJCUKMVAQNL-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1 170096345 ROOMTASUQNTCTO-QHCPKHFHSA-N 431.488 4.726 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1 170166226 JDNDFGBFYMJKMT-HXUWFJFHSA-N 425.506 4.888 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1 170173973 BZTGEFMRRTZJBU-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1cccnc1 170189541 DHTWBWPPYDTAPP-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)cc1 170199313 MPUBVHZHOSFYNV-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccncc1 170208509 YZOFZBWOOADGLO-QHCPKHFHSA-N 441.531 4.861 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2)c1 170227914 FJHYMJPKGHDVTR-FYSMJZIKSA-N 441.483 4.807 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccco1 170289486 KECZZRHENDXJEA-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1 170289803 WYTKXEXHTJBKPZ-JOCHJYFZSA-N 428.444 4.721 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)o2)c1 170308131 IBGOPPOQTVIGDT-NRFANRHFSA-N 425.481 4.516 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)c1 170332030 LAPMUWYZTRRUAG-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170359902 BZOGFGQRPHIDBX-DEOSSOPVSA-N 442.515 4.934 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc2scc(-c3ccc(Cl)cc3)n2n1 170515230 BCWPEWWIJPDQEW-UHFFFAOYSA-N 440.912 4.694 30 10 IJEE COc1cccc(C=NNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O 254403376 GUZBALBZLCGTEM-UHFFFAOYSA-N 437.365 4.759 30 10 IJEE N#Cc1cccnc1OC1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 437106838 NMNMERPJUJPCLT-HQNXYIODSA-N 428.492 4.931 30 10 IJEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccc(C)c(C)c1 460556259 SMTCOHQKFFDNST-HXUWFJFHSA-N 435.597 4.804 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 461835073 RJWVQJNZGZOYBP-JOCHJYFZSA-N 440.551 4.894 30 10 IJEE Cc1csc(NC2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)n1 474817055 YSZSCDKZXNDAGL-UHFFFAOYSA-N 432.549 4.619 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1cc(Br)sc1Br)CCCC2 484163510 PPIIXKWDGMVCTF-UHFFFAOYSA-N 441.148 4.671 30 10 IJEE COC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H]1c1ccccc1 500617787 DJPIRPHMRPDPAV-LOSJGSFVSA-N 440.499 4.574 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](CC(F)(F)F)C1 508863768 JNYYNTCHFWVONW-ZDUSSCGKSA-N 445.283 4.584 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2O)cc1OC 526775076 IBARHKVSPCEWTQ-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)NCc3ccc(C)cc3)C2)c1 585932869 KXMGHPYHMPZWHL-XMMPIXPASA-N 448.611 4.937 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCCC2CC2)c1 605484322 PJUJBUSMBVYRKC-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CCOc1c(Br)cc(CN2CCCC[C@@H]2c2noc(C)n2)cc1OCC 678200244 IFOZWMOSPYXIHP-QGZVFWFLSA-N 436.350 4.831 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(I)c(Br)c1 721357391 VREANAXMIVCPJR-ABAIWWIYSA-N 448.142 4.918 30 10 IJEE C=CCC1([C@@H](Cc2coc(Br)c2)NCCC)CN(C(=O)OC(C)(C)C)C1 722937496 FBZBOUNUYLTEKF-MRXNPFEDSA-N 427.383 4.766 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)Cc2nc(O)c3cnn(-c4ccccc4)c3n2)c1 729265164 BJCFELLLRCEDRW-UHFFFAOYSA-N 431.499 4.709 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 735570800 PUBQFGXIJLETBE-PGRDOPGGSA-N 445.485 4.922 30 10 IJEE CC(C)(C)c1csc(COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 756365409 COIHECWIJHSNTD-UHFFFAOYSA-N 440.525 4.520 30 10 IJEE N#Cc1ccnc(N2CCC[C@@H](OC(=O)/C=C(/c3ccc(Cl)cc3)C(F)(F)F)C2)c1 791983595 RDAPIIVBSXEIRT-LVSMMTLPSA-N 435.833 4.765 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 800783185 QABLJTWNKFOKPM-WBVHZDCISA-N 431.968 4.524 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C 804560988 PSDLHUQONHHAKW-UHFFFAOYSA-N 438.572 4.980 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(C(=O)/C=C/c3ccccc3)c2)c1 1084008292 JSEPNMLMOUYZMX-VAWYXSNFSA-N 441.487 4.752 30 10 IJEE CCCCNC(=O)CSc1nc2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2s1 1084119195 OMRKNWYJCBTLHX-UHFFFAOYSA-N 428.539 4.964 30 10 IJEE C=CCOc1ccc(OC(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)cc1 1126452875 VLLLDYXMVYYUDN-UHFFFAOYSA-N 437.517 4.686 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C)cc3O[C@@H](C)CC(C)C)cc2C1=O 1127220291 KGHYESUYLFZMIS-SFHVURJKSA-N 434.536 4.520 30 10 IJEE CC(=O)c1ccc(Br)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 1132845371 XCLKLINYGSXWMJ-UHFFFAOYSA-N 436.265 4.963 30 10 IJEE Cc1ccc(C(F)(F)F)c2c1N(C(=O)CCc1c(C)nc(O)c(C#N)c1C)C[C@@H](C)C2 1134845385 FDYLUWWWTQUHJS-LBPRGKRZSA-N 431.458 4.761 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C)cc1 1136097034 BHAKCYXZORBIFS-FQEVSTJZSA-N 438.528 4.507 30 10 IJEE C#CCC1(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)CCCCC1 1136213155 BKMGZBZZSSPVRW-UHFFFAOYSA-N 429.608 4.599 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)Cc3nnc(-c4ccccc4)o3)cc2F)c1 1136577248 BGKJKPCZQFBNEF-UHFFFAOYSA-N 428.423 4.508 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 1139414450 VUQLPAWVANNWBI-LJQANCHMSA-N 444.963 4.861 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(OCC)c(OCC)c2)c1 1146477871 KNHMNZMIAJMVSM-UHFFFAOYSA-N 443.499 4.979 30 10 IJEE C=CCC1(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)CCCCC1 1158110030 VSRCJLUXTGBVLJ-UHFFFAOYSA-N 442.581 4.813 30 10 IJEE C#CCN(CCCOc1ccc(C#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 1167420449 FNNBWQVRENKKNZ-OAQYLSRUSA-N 425.326 4.549 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc(CNc3ncc(Br)cc3C#N)cc2C1 1186132777 ZRDBPNYUYCSLQC-UHFFFAOYSA-N 429.318 4.579 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(c2c(OC)cc(OC)cc2OC)CC1 1206769456 BKPDAZYUIWQZIW-UHFFFAOYSA-N 429.944 4.757 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](C)c3ccc(OC)c(Br)c3)cc21 1209767484 JGKXIIRXNMTVDQ-ZDUSSCGKSA-N 429.318 4.876 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 1215585396 GZHHYTVRRCNBDX-GOSISDBHSA-N 434.471 4.517 30 10 IJEE C#Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)c(Cl)c1 1220233723 XTJRDWISDVTFLV-UHFFFAOYSA-N 434.765 4.680 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1221846071 QUJSVKFZEGVIMN-QIJUGHKUSA-N 434.024 4.926 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 1226724934 PQCOUQVJHTVTOR-OALUTQOASA-N 437.298 4.905 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1256074816 VIZIRSYYJHOKKX-AUUYWEPGSA-N 431.305 4.818 30 10 IJEE C[C@H]1CCc2sc(NC(=O)COc3ccc(C#N)c(Br)c3)c(C#N)c2[C@H]1C 1274491348 CFPVFNQNKGLWPP-RYUDHWBXSA-N 444.354 4.957 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(SCC)c1 1286424551 YBYXCJBGDQZEFL-UHFFFAOYSA-N 435.984 4.617 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CCCc1nc2c(s1)CCCC2 1286458401 SWUFXALXZDGBKL-UHFFFAOYSA-N 437.588 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC(F)(F)F 1286515332 HOFGOPINWVDYCV-OAQYLSRUSA-N 428.462 4.670 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286689478 RMBNOJDQGNPNSS-FQEVSTJZSA-N 445.995 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1OCC 1286718917 VQFTZJKLMMTDIC-UHFFFAOYSA-N 433.375 4.838 30 10 IJEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](SC)C(C)(C)C)C1CC1 1286736944 ICFREYWDQPTMFL-SFHVURJKSA-N 438.601 4.526 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CC2(C)C)C1 1286805086 QGXPYJLXBROYAZ-GDBMZVCRSA-N 449.368 4.674 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C 1294496487 RXUARSBTRIQYPY-KRWDZBQOSA-N 428.533 4.796 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)cc1F 1300282340 HLBRLNSIQWWUGP-HZPDHXFCSA-N 438.572 4.785 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CCCO)CC1 1300424024 ZAWWASMXORQCMW-UHFFFAOYSA-N 433.021 4.626 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCC1CC(OC(C)(C)C)C1 1300638635 SSKHYFBFNALAJS-UHFFFAOYSA-N 438.616 4.917 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C)CCCC 1300788762 LNXOIOIEAWMGRB-AREMUKBSSA-N 430.600 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)N1CCC(C)CC1 1300790436 QQMXNSLZCOXBTK-YADARESESA-N 426.008 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@@H]1C 1300925848 HDRKLJHRWUDUHC-LWYYNNOASA-N 431.625 4.887 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CC)C[C@@H]1CCCO1 1301056684 GRBHFXYKAVUQHK-FQEVSTJZSA-N 432.996 4.912 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)CN2CCCCC2)CC1 1301067026 WLDJWWOGSVWYKZ-LEWJYISDSA-N 441.595 4.836 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(N(C)C)CCCC2)CC1 1301097230 SKUWTYQFHPBSSW-UHFFFAOYSA-N 425.646 4.910 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1301194746 PPMSBGHRJUMQIU-WCRBZPEASA-N 443.636 4.954 30 10 IJEE C=CCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1301217852 GJBZHGNQUVXGDD-LJQANCHMSA-N 445.354 4.586 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cccc(C)c1 1301309121 ADQZWSGTLDOFTE-FQEVSTJZSA-N 425.577 4.523 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](CCC)C2)cc1 1301527634 ZLPIQKJSMOUNIC-QFIPXVFZSA-N 438.597 4.549 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(F)F)C1 1301597784 ZJIHPUGNABEXQN-OAHLLOKOSA-N 444.498 4.947 30 10 IJEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(C)C)sc1C 1304048756 BFTMPAZMLASYEW-UHFFFAOYSA-N 438.601 4.527 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)cc1 1304718707 RVBYVFJKPMUHIN-UHFFFAOYSA-N 436.733 4.631 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H](Cc1ccccc1)c1ccccn1 1308555698 OZXIJHQXBMBUDA-FQEVSTJZSA-N 435.365 4.972 30 10 IJEE C#CCN(Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1)[C@H]1CCc2ccccc21 1308634650 IVKYHVAVLALIAE-QHCPKHFHSA-N 445.515 4.777 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)Cc1cc(Br)ccc1F)c1ccc(Cl)cc1F 1312322599 YDYMPDWOXBYNAP-ZMZPIMSZSA-N 441.703 4.985 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(COCC(F)(F)F)c1)c1ccc(Cl)cc1F 1312346307 QCIWABLLAMBLCK-GOSISDBHSA-N 428.813 4.732 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1312925490 IINUPRPBYOUYNI-JRGCBEDISA-N 430.589 4.785 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)s1 1314728642 BMBJWYPFCLFHPO-UHFFFAOYSA-N 434.956 4.535 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCc1nnc(Cc2ccccc2C)o1 1323046069 BTUCANLKXLUADQ-UHFFFAOYSA-N 428.286 4.581 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C(/C)c2ccc(F)cc2)c(C(=O)OCC)c1C 1349734589 QOJGXDNHUYUFGP-SEYXRHQNSA-N 431.485 4.757 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1350766424 ZAKDELZCPZMXRT-UHFFFAOYSA-N 443.565 4.596 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cncc(-n2ccnn2)c1)c1ccc(C)c(C)c1 1351158155 JXPJARDMYZLPGG-UHFFFAOYSA-N 439.519 4.691 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)s1 1352657890 LNSSBLDGMWTFLI-UHFFFAOYSA-N 449.945 4.571 30 10 IJEE COc1ccccc1-c1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c(O)n1 1358198084 RMUARRVMPFUOPK-QGZVFWFLSA-N 428.275 4.764 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1c(C)noc1C 1358871975 MRDCSKUTPNDOEI-XGHQBKJUSA-N 435.572 4.901 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1358916735 VMAZHVZAVDQWMQ-JOCHJYFZSA-N 446.599 4.525 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)Oc1ccc(C)cc1 1358941831 ZJTRLDBSDPKPBM-RBUKOAKNSA-N 434.609 4.977 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359052217 YHMGHEQTQBZUHM-GHTZIAJQSA-N 449.451 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCOC1 1359115990 UFKBPBBCPMTAPU-FQEVSTJZSA-N 426.605 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359191419 YUWNFUAYWIQVBZ-UHFFFAOYSA-N 449.643 4.647 30 10 IJEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1359197164 GAROKSDBUSBXLG-UHFFFAOYSA-N 449.599 4.563 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ncc(CC)s1 1359244116 QTQBWDPJKHISAM-UHFFFAOYSA-N 425.602 4.978 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1359268020 AFMZTALRFATLPF-NRFANRHFSA-N 434.540 4.549 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1Cc1ccsc1 1359273807 OSKSYWAYFORCPL-UHFFFAOYSA-N 445.386 4.908 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1359344246 QFCMGGMDABHYJV-FGZHOGPDSA-N 440.657 4.740 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1360369429 KHLROALJNZWDPF-XMSQKQJNSA-N 442.918 4.818 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)N2CCCCC2)c2ccccc2n1 1361044750 DAURYVBPTIPXGT-HXUWFJFHSA-N 445.615 4.805 30 10 IJEE Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1434983685 IFBPDZONEBYWSP-UHFFFAOYSA-N 448.523 4.620 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccccc1 1449776127 OLCZLJYPPXKCBU-ZLNRFVROSA-N 442.600 4.657 30 10 IJEE C#C[C@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 1452203327 NIESIGMLDXYTKN-NRFANRHFSA-N 429.907 4.759 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 1455207110 YJNRWSIBVMBYTF-SFHVURJKSA-N 437.565 4.548 30 10 IJEE C=CCn1cc2ccc(NC(=O)Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)cc2n1 1456183843 IRJMMIIZPXASSP-UHFFFAOYSA-N 432.524 4.701 30 10 IJEE Cn1c(COc2ccccc2Cl)nnc1Sc1ccc(C#N)c(Br)c1 1458088626 FWVXAHLLHONYMU-UHFFFAOYSA-N 435.734 4.833 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 1464304186 XMQVALJNXAEIRF-MSOLQXFVSA-N 425.356 4.964 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1 1465872865 CFRLZOBWZIZEBC-UHFFFAOYSA-N 428.330 4.842 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 1466390856 GBRLTWSQDBAAJY-NRFANRHFSA-N 442.556 4.900 30 10 IJEE C[C@@H](CO[C@@H]1CCOC1)NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1466867668 HNNYSFVJCRNSCP-KBXCAEBGSA-N 431.945 4.678 30 10 IJEE C=CCCCNC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1470045021 ZSVSYYKTGROWIZ-UHFFFAOYSA-N 433.552 4.853 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1476163345 OSAKWHMKWQYKKI-UHFFFAOYSA-N 439.487 4.775 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@](C)(C#N)C1)OC 1494973242 HYWGGZLYHGLXFX-KDSXSNECSA-N 447.587 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1sc(C)nc1C 1507522978 ZPGGTFXOMSGTNZ-UONOGXRCSA-N 425.627 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(Cl)=C(Cl)C1 1507805130 IUOZNKXORPBCIP-JXFKEZNVSA-N 425.404 4.891 30 10 IJEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1507840880 VCGKBMMPVLRUNH-JOCHJYFZSA-N 435.572 4.617 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccccc2C)C1 1507919013 ATDNRYRMEBYXCA-FUDKSRODSA-N 438.616 4.907 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1nnc(C)s1 1508006016 FUDLBFBNCTWQRA-UHFFFAOYSA-N 426.565 4.551 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)c1ccccc1F 1508061040 IQCVEYIETUEUBG-QGZVFWFLSA-N 443.567 4.915 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCC[C@@H]2C)C1 1508115358 IVNLIMXNFXANSK-UGKGYDQZSA-N 444.023 4.644 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCC(C)C)C1 1508125691 DUNIDGFUDUDIBH-PMACEKPBSA-N 447.624 4.568 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)C1 1508152105 IEWDGTFEOVFBJV-MRXNPFEDSA-N 437.009 4.606 30 10 IJEE C[C@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)(N(C)C)C1 1512094496 FHEBCDKYPVPEJH-FNZWTVRRSA-N 434.632 4.954 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1516426600 HLJZQUUGFVQENQ-KRWDZBQOSA-N 441.645 4.934 30 10 IJEE C#CCCOc1ccc(C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)cc1 1519287045 IBAOIADOBVOADI-UHFFFAOYSA-N 428.573 4.778 30 10 IJEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1OC(F)(F)F 1526174391 AFBNXLTZBDLIEH-SNVBAGLBSA-N 429.192 4.625 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1527974527 GFEHTGHTTIBZBX-NRFANRHFSA-N 437.565 4.850 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1531515068 JVIZSQMBXYHOJP-QFIPXVFZSA-N 437.609 4.543 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cnc(-c2c(Cl)cccc2Cl)s1)C(=O)OCC 1531939988 GDYDITKMUBEVHG-LBPRGKRZSA-N 433.744 4.921 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)cc21 1536838831 BXUZYUHIDSUURX-UHFFFAOYSA-N 438.531 4.847 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)cc1OC 1538517454 NIEGWNPPKSFSKH-OWBHPGMISA-N 446.591 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCc1sccc1C 1538971538 BWHDONJUVQDBGK-OAHLLOKOSA-N 429.387 4.778 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1539026501 VXXIPNYWHQEFHF-ZLNRFVROSA-N 435.660 4.668 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC=C(COC)CC1 1539053159 LQJGFNHRKYZELY-UHFFFAOYSA-N 443.595 4.939 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cc(C)cs1 1539520692 VSPFIDWDTVORRF-UHFFFAOYSA-N 432.565 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1539641399 MBPFUSNBDYIONB-PGCKSFNISA-N 428.552 4.602 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN(C(C)C)C1 1539651151 ANVXJGSKDHWMPS-QGZVFWFLSA-N 449.441 4.559 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1539686490 YDRWRVYPFOCODR-MJGOQNOKSA-N 429.996 4.696 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](OCCC)CC1 1539736277 VRSXVMNMRJLKRD-QFIPXVFZSA-N 449.599 4.872 30 10 IJEE Cc1ccc(F)c(-n2nc(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)c3c2CCC3)c1 1539858478 FUYKQICGLWHZET-UHFFFAOYSA-N 444.388 4.831 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCC[C@H]2CCCCO2)CC1 1539896792 RVJYJTPHXHQTQI-HXUWFJFHSA-N 428.552 4.748 30 10 IJEE C[C@H](C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1539917173 CCUFKUCSKQLVIY-JKSUJKDBSA-N 439.560 4.529 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1539978261 ZQEIGKQYEOSWBV-LJQANCHMSA-N 427.980 4.620 30 10 IJEE C=CCC1(CNC(=O)c2ccc(I)c(Br)c2)CCCC1 1540085010 NAEGOKRLRVAPTF-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1540087389 XOWXFZOOSSVNCQ-UQBPGWFLSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1Cc1csc(CC)n1 1540127973 HWXMNRJSNCQNTG-OAQYLSRUSA-N 448.596 4.651 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1N(C)CCCC1(C)C 1540133204 CYKSZKZMJJAABW-QHCPKHFHSA-N 448.590 4.792 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 1540543828 CHBKNUCXSSOKCI-UHFFFAOYSA-N 449.913 4.892 30 10 IJEE C=CC[C@H](C(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 1540688928 RDENSHIMANIWMJ-REWPJTCUSA-N 430.552 4.610 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC[C@H]21 1540911512 ULRKGRCULZQMIN-DOTOQJQBSA-N 449.418 4.624 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cc1Br 1542649268 BNKSMDUNDQFEDU-UHFFFAOYSA-N 440.124 4.591 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1)OC 1545302420 CISDXOPQVLVSLW-CZTZKLFOSA-N 439.604 4.662 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)N1CCc2ccccc2C1 1546227059 YSDSIIKDBMSOGN-MRXNPFEDSA-N 431.349 4.550 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)C1 1546656056 FSMKRUCRTAPNRF-AVRDEDQJSA-N 434.613 4.808 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Cl)cc3OCC(F)F)n[nH]2)c1C 1556837542 AENULDTXHYRDOT-UHFFFAOYSA-N 435.862 4.626 30 10 IJEE CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1557058647 BXQCWPNRIMNFMD-GOSISDBHSA-N 448.013 4.949 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(Cl)c2ccccc12 1564620933 HOFFZXNTURZNHI-AZUAARDMSA-N 432.955 4.974 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 1564913790 USOJQZIEHDZVRL-OFNKIYASSA-N 437.971 4.985 30 10 IJEE C#C[C@H](NC(=O)NC1(c2ccc(OC)cc2)CCCC1)c1ccc(Br)cc1 1565000535 YXHFDDORHGWFOG-FQEVSTJZSA-N 427.342 4.901 30 10 IJEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@H](C)c3ccccc3)C[C@@H]1C)C2=O 1565539145 OYUYSZCZONPIPF-NYOFJVTHSA-N 441.911 4.515 30 10 IJEE C=CC[C@@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)CCCN1C(=O)OC(C)(C)C 1586934277 PETYJFQMBRCNAQ-VFNWGFHPSA-N 440.993 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC[C@@H]1C 1587599835 RJXWGQCGCBIVCY-YQQAZPJKSA-N 431.378 4.610 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCc1csc(CC)n1 1588253790 FEWNQDHFNKTLIN-UHFFFAOYSA-N 449.649 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1589687405 DTJFVQHDQMXNBB-CJFMBICVSA-N 443.611 4.909 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1593900455 MJCOCZRHRJARCO-NRFANRHFSA-N 446.979 4.772 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCOc2cccc(OC)c2)CC1 1594229136 HNBYVOLWZRRTNR-UHFFFAOYSA-N 433.556 4.529 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1noc2c1CCCC2 1595177987 DHMCVLLPQLPYFJ-QGZVFWFLSA-N 437.519 4.651 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2sccc2c1 1595229943 XRPFOEWAUSEXAG-UHFFFAOYSA-N 449.605 4.711 30 10 IJEE Cc1nc(C)c(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccoc2C)s1 1612379409 CXPVBVRSLORNRK-UHFFFAOYSA-N 432.553 4.671 30 10 IJEE C=CCn1c(SCc2nnc(-c3cccc(O)c3)o2)nnc1-c1ccc(Cl)cc1 1613210941 UVLZQGUBDUNAPM-UHFFFAOYSA-N 425.901 4.832 30 10 IJEE Cc1cc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)nc(-c2ccc(Cl)cc2)n1 1617581876 FVOGOHSOUMUFFX-UHFFFAOYSA-N 438.362 4.953 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2cc(Br)cc(OC)c2)cc1OC 1621063413 KRSRAWHLMXYJJI-UHFFFAOYSA-N 426.738 4.974 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1621949678 VHJYSORDIFIAMJ-HXUWFJFHSA-N 435.471 4.877 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 1622016137 FVJCGCJMCMWCQJ-UHFFFAOYSA-N 426.435 4.772 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1)c1ccc(F)c(F)c1 1625548602 QJXAXVIWEBRNMC-QGZVFWFLSA-N 448.413 4.582 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@]1(C(F)(F)F)CCC[C@H](C(C)C)CC1 1625631609 XNXLXRMWBSRKOK-HRAATJIYSA-N 425.495 4.862 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccccc2)nc1 1626124728 JUDITNAVIDJYKL-GOSISDBHSA-N 431.920 4.635 30 10 IJEE C=CCC1(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CCCCC1 1626167062 XBWAMOUYMCBVDS-MRXNPFEDSA-N 434.378 4.548 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 1632989884 BHAFAZIGHREUMF-UHFFFAOYSA-N 428.960 4.555 30 10 IJEE C#CCN(CC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)OC(C)(C)C 1633200274 JODWNOIYUXPGDM-AWEZNQCLSA-N 447.988 4.819 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)C1CCN(C)CC1 1633776553 FIVZVNSXJCPVLC-RBBKRZOGSA-N 435.534 4.861 30 10 IJEE CCn1cc(-c2n[nH]cc2C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cn1 1638824855 HOWUCJQXULUQDH-UHFFFAOYSA-N 449.330 4.835 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C[C@H]1CC 1639602594 IDAILTXJMYFIGN-ZGNKEGEESA-N 438.955 4.951 30 10 IJEE C=CCN1CC[C@H](Sc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)n2C)C1=O 1640601529 ACZULLYZAYTIJB-WBVHZDCISA-N 430.643 4.574 30 10 IJEE C=CCOCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 1643350269 RQBDSEUBTXMFDM-CPNJWEJPSA-N 446.475 4.934 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c1 1648439185 SHJATHMDHDARKE-UHFFFAOYSA-N 426.563 4.555 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc3c(c2)OC(F)(F)O3)cc1OC 1656503912 JDHHNTOEIHRIAC-UHFFFAOYSA-N 442.256 4.634 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1OC 1658217560 KMOIOCCPIMDAMX-IEBWSBKVSA-N 436.980 4.745 30 10 IJEE CCCc1c(NC(=O)N[C@@H]2CCCOc3cc(F)ccc32)cnn1-c1cccc(C#N)c1 1660854081 DVZPZWKVKQVZMH-HXUWFJFHSA-N 433.487 4.871 30 10 IJEE C=CCC[C@H]1CCCN1S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1665938686 VRSAVGKDNYOVEB-HNNXBMFYSA-N 427.389 4.692 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC1(c2ccccc2Br)CCC1 1668996786 XLBZRKXJYMZDCB-UHFFFAOYSA-N 431.305 4.844 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H](C)c1ccccc1C(F)(F)F 1670651760 HZTFHFZRZHSWFR-HBFSDRIKSA-N 444.501 4.617 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 1673796513 KNBKXOSFETVYQC-UHFFFAOYSA-N 442.991 4.759 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1)c1ccc(F)c(F)c1 1674120356 YTALZLNVYDNUOF-OFNKIYASSA-N 426.511 4.688 30 10 IJEE C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1679943806 BVIGBRYWTWGWRL-YSZBQJHXSA-N 448.567 4.815 30 10 IJEE C=CCC[C@@H](NC(=O)N(CCO)Cc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1680632952 IHZXBYSDUHXJAQ-OAQYLSRUSA-N 436.474 4.925 30 10 IJEE C#C[C@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)c1ccc(Cl)cc1F 1681743276 MSNZXKCKNFBJMH-KRWDZBQOSA-N 448.723 4.939 30 10 IJEE C=CCCCCCCCNC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1683130665 KXJJGXFANIQRMB-MOPGFXCFSA-N 431.543 4.878 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 1683338825 BUTOBWADPUQSNR-UHFFFAOYSA-N 445.513 4.563 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@](C)(OC)C1 1689879581 AONKJHDWHHWWEJ-JOCHJYFZSA-N 445.405 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C(C)(C)C)CC1 1690241527 TVDFJPNEDROGQH-GGAORHGYSA-N 431.584 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(F)cc1F 1690251462 VOANUNDXGJAYLD-XXBNENTESA-N 430.543 4.907 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)c1nccs1 1690310085 SVSAZBMUXPDOGJ-KRWDZBQOSA-N 436.585 4.716 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCOCC(F)F)CC1 1690399030 LPMBBEOBXPKKPM-HNNXBMFYSA-N 440.922 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690436422 RBWMZUIWCOHXCQ-UHFFFAOYSA-N 445.633 4.590 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690450038 YFZVHDKUEMXEOF-RBUKOAKNSA-N 443.661 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)c1ccccc1 1690571837 KMNMPGPZIAQUCZ-FQEVSTJZSA-N 449.624 4.962 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCc1sccc1C 1690607630 QWNKPCJREWSWGS-FQEVSTJZSA-N 426.586 4.960 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1690736664 LQNFCMJYNKKGCK-LEWJYISDSA-N 437.613 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)c1ccccc1 1705504965 FNGWFDACMLMIOJ-ZJOUEHCJSA-N 437.588 4.612 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1705509895 LHCXKKGHMAICIL-DNQXCXABSA-N 449.643 4.903 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1csc(C)n1 1705606932 KYBBAYKUBJKTRD-UHFFFAOYSA-N 425.627 4.743 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1ccccc1 1705689202 FRGPNPXYQGDEHX-UHFFFAOYSA-N 432.391 4.569 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N1CCCCCC1 1705712313 PNDDZRQNELCMLW-UHFFFAOYSA-N 447.986 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1705718967 GLHRDPIDEPOEOV-FQEVSTJZSA-N 433.641 4.963 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(C)(C)COC)CC1 1705762508 AYPGVIPTNNERKW-IBGZPJMESA-N 428.577 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OC)C1 1705788742 LRFKIKXZGSBVNO-CYBMUJFWSA-N 425.396 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705790008 GHLLKORVIOJIQK-IBGZPJMESA-N 442.579 4.708 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCc1ccccc1 1705847565 XIPCVNZHGFTCDS-FQEVSTJZSA-N 425.577 4.605 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(CC)s2)C1 1705924051 SWLYETVREVGCJT-INIZCTEOSA-N 444.551 4.601 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[C@H]2CC)C1 1705928647 GXSICGBLNKQHBX-VAMGGRTRSA-N 428.552 4.604 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cccc(C(F)(F)F)n1 1706743497 BYNNLULOTLUQGA-CYBMUJFWSA-N 434.853 4.799 30 10 IJEE COC1(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H](C)C#N)CCC1 1711615369 GFQQVSXRIHMCAX-DLBZAZTESA-N 431.968 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC2(CCCCC2)O1 1722283590 SXWSRODOZNXCJZ-HKUYNNGSSA-N 442.991 4.947 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1722297682 MEHGKUQMPSJYKN-LQBOVUBWSA-N 439.654 4.533 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](COC)C1 1722308016 DKOJEAWWRRZUSW-UXHICEINSA-N 428.552 4.614 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722324518 TVHMFEURFLRLQV-OXJNMPFZSA-N 432.490 4.842 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](OCCC)CC1 1722326361 RDJXTMRMACFXRE-HXUWFJFHSA-N 445.405 4.907 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1722356303 LQFSMMGOXPAEQG-GBXCKJPGSA-N 445.007 4.669 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(OC)CCC(C)CC1 1722375294 KQHIMNPBWIXNLO-UHFFFAOYSA-N 445.394 4.920 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC(F)(F)C1 1722421953 PNRFNGGMJZAOPJ-QUCCMNQESA-N 432.490 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCN(C)C1CCCCC1 1722476149 NDIXHQRCGBAALA-HHHXNRCGSA-N 449.643 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CCC 1722494280 BZBUCIPOSSFNQF-UGKGYDQZSA-N 428.577 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@](C)(O)c1ccsc1 1722504644 IYYIHUJKZAWRBT-DEOSSOPVSA-N 448.596 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1C(F)(F)F 1722516320 VSCSEMRHXMIQGO-LJQANCHMSA-N 438.494 4.998 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC1CCC1 1722531853 ZGDZMFLUAOLLKL-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccccn2)CC1 1722585331 WTLULYRJBPAYDR-UHFFFAOYSA-N 436.991 4.922 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1722604824 LNOFFDRBZKGNNQ-VQTJNVASSA-N 445.652 4.963 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1722613988 XMIVOXLYMBMHFD-ZJSXRUAMSA-N 430.600 4.796 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1c(CC)noc1C 1722635600 AWQHWSTYSJZBBD-UHFFFAOYSA-N 433.512 4.646 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1722635707 CQCCFZMOQXPODB-INIZCTEOSA-N 433.984 4.724 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1722648099 IWCQESCHUZQUTG-UHFFFAOYSA-N 429.446 4.571 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Br)c2)n1CCCOC 1722662028 UNDFPQHSQDUQID-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C 1722680701 WUZRRHYOTDFONW-IBGZPJMESA-N 449.640 4.815 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCCC2(F)F)C1 1722721681 KRFNVDVZWWYSLA-UYAOXDASSA-N 434.506 4.615 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](SC)C(C)(C)C)C1 1722722427 OUACGNUWUGGQJH-UYAOXDASSA-N 432.609 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Sc1ccccc1 1740563896 XOTPMTWNUSKMRZ-KOUHRCEDSA-N 426.630 4.835 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](c1cccnc1)C(C)C 1740600016 HMVXXAPHOALBDS-PGRDOPGGSA-N 437.975 4.976 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc(Br)cs1 1740717494 UIMKKJSBJIVWMA-UHFFFAOYSA-N 441.464 4.694 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCN(C)C1CCCCC1 1740732943 VTSNSHUXEYFYHB-HHHXNRCGSA-N 449.643 4.524 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(CC2CCCCC2)CC1 1740785623 QJBDEOSJMSGRKQ-UHFFFAOYSA-N 437.632 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1740852416 NCWPMEXMUJIUGO-OAQYLSRUSA-N 426.605 4.937 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1740862847 GVFNSIWKHWNRDC-UHFFFAOYSA-N 449.643 4.763 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1C[C@H]1CSCCS1 1740915878 WKOOLJNNSJQNFN-XLIONFOSSA-N 432.659 4.841 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@H]1CCCSC1 1740920038 AZLARESGPXPPOI-HXUWFJFHSA-N 437.588 4.739 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC=C(C)C)C1 1740975234 NTCFRGTZWSNMPT-OAHLLOKOSA-N 437.407 4.907 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCSC1 1742046554 CRLPTCWTWJFWSH-DOTOQJQBSA-N 438.626 4.869 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1748663909 BFUPVBWAWIDQSF-LMDPOFIKSA-N 446.599 4.520 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](c2ccco2)C1 1748698780 XWUWMICQMVEHEB-FQEVSTJZSA-N 431.540 4.538 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H](C)C1 1748736043 WQBWAOIORSIOCG-CVEARBPZSA-N 431.378 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCCCOCC 1749055742 OGOYPCYAQGRTAO-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCCC)c(OC)c1 1749059142 XIBMTUHWMSGQMX-RUZDIDTESA-N 434.540 4.684 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(CC)Cc1cnn(C)c1 1749118871 KNQWDIPWKKHNNQ-HJOGWXRNSA-N 448.615 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C(F)(F)F)cc1 1749141302 ACOUUQMAYSWBIO-UHFFFAOYSA-N 437.510 4.666 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](COCC)C1 1749216026 HYCOSDLQYXEOFW-LJQANCHMSA-N 444.645 4.731 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCSC(F)(F)F)CC1 1749285687 TWZMMUNZBPMGGY-UHFFFAOYSA-N 439.507 4.557 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)CN2CCCCC2)CC1 1749343335 GXLWKLJAIAWMJC-IBGZPJMESA-N 443.586 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCOC(C)(C)[C@@H]1C 1749376064 PQWQZEJLNHLXFE-IBGZPJMESA-N 442.604 4.862 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@@H]21 1749376889 IMYYQVJNUZUMLC-FHWLQOOXSA-N 429.609 4.941 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1749395842 QCNWPSHSYXAXJO-QFIPXVFZSA-N 430.600 4.797 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)C1CC1 1749511264 HFRUOXFTHVZLEO-HDICACEKSA-N 444.023 4.641 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCCC2)C1 1760145350 NIZSXCIPDDDVEK-LJQANCHMSA-N 426.536 4.510 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC(F)(F)C1 1760370279 MNFHPVJYWXQXEM-UHFFFAOYSA-N 426.895 4.731 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1760381623 SVMKQZCFWQEKNA-BWKNWUBXSA-N 437.588 4.651 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2CCN(CC)CC2)CC1 1760392177 HISWKBKMNIMKCM-UHFFFAOYSA-N 444.023 4.789 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760408638 DLKABRKMFYYXFA-FPOVZHCZSA-N 435.616 4.560 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1760411500 NOQBQGATLXTUEN-UHFFFAOYSA-N 427.637 4.813 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)N(C)C 1760480895 IGGYBMDIQQKZJS-FYYLOGMGSA-N 435.572 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCC[C@H]1C 1760485670 MNPOMFBGYNYJTJ-KOSHJBKYSA-N 438.597 4.759 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)CC#N)c1cccnc1 1760880300 DMWDOLKWHCXXFC-ICSRJNTNSA-N 436.535 4.569 30 10 IJEE CCO[C@H](CCn1c(-c2ccccc2C)nnc1N1CC[C@](F)(C#N)C1)C1CCCC1 1765780699 CRPCIWBFFHPLQU-QPPBQGQZSA-N 425.552 4.681 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)SC1=Nc1nccs1 1772718408 AEJBHWJPBUOEPG-IBGZPJMESA-N 448.573 4.956 30 10 IJEE Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)ON1C(=O)c2ccccc2C1=O 1772787900 FBKAGYOFDJBANE-UHFFFAOYSA-N 433.272 4.793 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862416401 GRVPWAYNOHRAOT-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@H]2c2cccc(F)c2)cc1 1862474895 YCYSDZDWBHKKDM-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862492729 YDLIURNOACQGHM-OAQYLSRUSA-N 432.432 4.583 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1c(F)cccc1Cl 1862528415 WKKISCPDUUYQJS-MRXNPFEDSA-N 438.680 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1cccc(O)c1 1862588092 HKUWYEOHKNDPKZ-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Cl)c1 1862607153 HUZVZKAFEGSWAH-OAQYLSRUSA-N 441.911 4.880 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCc2cnc[nH]2)c1 1862712846 BEMKYLVTDCPFJO-DEOSSOPVSA-N 437.499 4.692 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(OC)c1 1862718248 WUMDSCSVDNANRR-CMJOXMDJSA-N 431.488 4.931 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3cccnc23)=C(c2ccc(F)cc2)C1=O 1862776332 JNHGYRRJBIWWQW-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE CC(C)Oc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccccc2C#N)C1=O 1862934433 SDUJHAPXEQGQOW-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868291084 HNIQKCPZDMRKST-OAQYLSRUSA-N 441.535 4.823 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1 1868713718 SOHMBNGBBZWKOT-QFIPXVFZSA-N 426.507 4.582 30 10 IJEE CCCCCCCCC(=O)N1CC(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1 1869901557 XNNUBSONANJDGR-UHFFFAOYSA-N 434.536 4.827 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1ccccc1CC 1871198553 VRKNSBJHHKCWLQ-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871366169 VUFXEUSSENHTHH-UUASQNMZSA-N 441.650 4.616 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCC)cc1)c1ccccc1)S(=O)(=O)C1CC1 1872178495 UGQYFWMAOMBIAN-QHCPKHFHSA-N 442.581 4.526 30 10 IJEE CCCCCCCCCCNC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1 1873936722 PCAJOEDLCLAJES-UHFFFAOYSA-N 428.625 4.721 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c(=O)oc2c1 1873968476 IEMFGRZVUFYECN-UHFFFAOYSA-N 442.855 4.799 30 10 IJEE CCOc1ccc(/C=N/n2c(CCCOc3ccccc3C)nnc2SC)cc1OC 1874248599 XKQAJTBGNJMALU-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874253822 MRUCNNUGOGVNHC-XQNSMLJCSA-N 439.541 4.891 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(OC)c1O 1874256120 UNBFUWVALVVJBP-ZMOGYAJESA-N 438.553 4.657 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccn1C 1874311820 VKKRTAKIDNTZJB-WGOQTCKBSA-N 449.555 4.724 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccnc2)c1 1874426325 CHYIMCPCWMBQLE-CVKSISIWSA-N 442.548 4.570 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)c1C 1874464553 PLRHLVXWEBCPME-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2C2CC2)cc1 1874521360 OSYIOZSDZJUKPA-MFKUBSTISA-N 439.629 4.876 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1/N=C/c1cccc(Cl)c1 1874522077 ACENLUXMCJNJFS-YDZHTSKRSA-N 427.961 4.669 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1cnnc1SCC(=O)Nc1cc(C)cc(C)c1 1874536839 YMBCIKZIPHHVSP-LGJNPRDNSA-N 445.548 4.670 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2CCCOc2ccccc2Cl)ccc1OC 1874568896 WQLUVGLJDAARHO-OEAKJJBVSA-N 446.960 4.521 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)CCc3cccc(-c4ccccc4)c3)CC2)c1 1891418391 OJYWFWLEKKIUOS-UHFFFAOYSA-N 425.532 4.870 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C#N)(CC)CC1 1901484764 CDJMWQAWFNXYSF-XMMPIXPASA-N 445.563 4.846 30 10 IJEE CO[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1904836055 CPCBZGQRLFHIPP-SJORKVTESA-N 439.940 4.513 30 10 IJEE C=CCC1(NCC2CCN(C(=O)OC(C)(C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 1924554327 SOGHPSWVUFWNLF-UHFFFAOYSA-N 437.625 4.569 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)OC1(C)C 1963796554 JHPOJWYUAXCUFE-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE C=CCN(CC[C@@H](N)Cc1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2047974950 ZYFMOPHFYPVRIV-CYBMUJFWSA-N 435.765 4.925 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H](C)c2cscc2Br)C1 2066556223 HTKVXRZYMDPQON-GFCCVEGCSA-N 429.380 4.549 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(OC)c1 2136322462 DLDWHVIUUMFONH-ZWKOTPCHSA-N 427.383 4.968 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1c(F)cc(Br)cc1F 2170705143 DKNBHRPTNZFFIQ-LEWJYISDSA-N 440.328 4.902 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)Nc1ccc(Br)cc1C#N 2181043466 BFVWKMJXRFSJSJ-OXQOHEQNSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CC(=O)Nc2ccc(Br)cc2C#N)C1 2181155162 NFVHPYPSLHOLGI-KBPBESRZSA-N 436.350 4.590 30 10 IJEE Cc1cc(C(=O)[C@@H](C#N)c2ccccc2Br)ccc1I 2207027707 OYSYDVDZQMTNTG-ZDUSSCGKSA-N 440.078 4.852 30 10 IJEE CCN[C@@H](C#CCOC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227792313 RRIMZCDGESVKLV-LBNVMWSVSA-N 445.559 4.506 30 10 IJEE C=C[C@@]1(Oc2ccc([N+](=O)[O-])c(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2229389537 LTNLHGQJVUFRTN-GOSISDBHSA-N 427.295 4.692 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2235718656 DQKZKVDRROBEGU-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CC[C@]1([C@@H](C#Cc2ccccc2Br)NC)CCCCN1C(=O)OC(C)(C)C 2235722200 CFQSRHSTIBLRRY-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](O)C#Cc2ccccc2Br)C12CCCC2 2235742542 YFBHWCOOUMZWKC-IEBWSBKVSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@H](N)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235745648 DQINBTNOQWVHCD-GCJKJVERSA-N 435.406 4.801 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2256773624 HOWIAILEVWNRRU-HSZRJFAPSA-N 440.628 4.903 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2262200115 OFOWWOKJOQQOIJ-BWKNWUBXSA-N 447.572 4.799 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268641210 ACZYUEDSDREIFM-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE CN(Cc1cc(Cl)cs1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281937016 UULYNJNBQHNLNS-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C 2296301330 SPXVMEMLINAUHB-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE O=C1C(=Cc2ccc(F)cc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 2296599691 CKKGWSFSWUVBPT-UHFFFAOYSA-N 430.840 4.863 30 10 IJEE CC1(C)OB([C@H]2CCN(Cc3ccc(Cl)c(I)c3)C2)OC1(C)C 2303124694 SLANOGQWBPOJPU-ZDUSSCGKSA-N 447.553 4.613 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 2305319130 KFUXRBLANLBUJQ-BWKNWUBXSA-N 430.589 4.801 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2307553737 NNVIQAIPEVNYLE-CYMHYUIHSA-N 428.573 4.601 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2312483280 PBOGHJLNZBPOHH-UARRHKHWSA-N 444.616 4.542 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2318571074 BPGYQICXVBWQBB-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE CCCCN1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)c(OC)c2OC)C3=O)C1 2322346774 CBNKOKXNGKAKNC-UHFFFAOYSA-N 439.508 4.589 30 10 IJEE Cc1ccc(-n2ncc(NN=Cc3ccc(OC(C)C)cc3)c(Br)c2=O)cc1 2322634598 QFYXVGCUFVHSPP-UHFFFAOYSA-N 441.329 4.537 30 10 IJEE CCOc1cc(C=NNc2ccc(C(=O)O)cn2)ccc1OCc1ccccc1Cl 2322941964 KEQFPRIOXNTVNN-UHFFFAOYSA-N 425.872 4.857 30 10 IJEE CCOC(=O)Cc1csc(NN=Cc2cccc(OC)c2OCc2cccc(C)c2)n1 2323854524 NHSDQNWIRFFXFX-UHFFFAOYSA-N 439.537 4.591 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC 2324261462 PGARKGAONUZOFI-UHFFFAOYSA-N 431.479 4.897 30 10 IJEE Cc1cc(OCCN2CCOCC2)cc2c1C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2325675279 KKIYNMOCDINWLS-UHFFFAOYSA-N 434.319 4.629 30 10 IJEE CCOc1cc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SC)ccc1O 2326360259 MQIDKVDHOZEJPQ-UHFFFAOYSA-N 440.569 4.615 30 10 IJEE CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(OC)c(OC)c1Cl 2326379970 DUNFREOMMTZTHH-UHFFFAOYSA-N 430.961 4.994 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cc(Cl)ccc1O 2326714193 RBMSUXZLPDGIRF-UHFFFAOYSA-N 444.944 4.775 30 10 IJEE COC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1sccc1C 2327768039 DNSUAKUUJWBIOU-UHFFFAOYSA-N 436.562 4.539 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccc2O)c1 2330545673 HNJSQXSDMZJORD-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccc1Cl 2330833395 HPNXGOWDJXGLMT-UHFFFAOYSA-N 449.005 4.590 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccs2)cc1 2331182890 FFRWQZZUWDPXQJ-UHFFFAOYSA-N 437.550 4.775 30 10 IJEE COCC(=O)Oc1c(Cl)cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2331741332 QYNBIKFOWYXVPJ-UHFFFAOYSA-N 439.291 4.767 30 10 IJEE CC[C@@H](N[C@H](C)CCN(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338524891 WNORHKJQOVBYLV-WIYYLYMNSA-N 446.441 4.672 30 10 IJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(Br)cc1I 2339577684 VWAUMAPWHMIBOC-ABAIWWIYSA-N 432.143 4.754 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585180 LJSCHWHSJHYGRU-PKOBYXMFSA-N 443.397 4.784 30 10 IJEE CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@@H]1C=NN(C)[C@@H]1C 12406794 RERQDWLOTGXDHK-GAKIBJFNSA-N 436.600 4.973 30 10 IJEE CC/C(=N\Nc1nc(SCC(=O)Nc2cccc(Cl)c2C)n[nH]1)c1ccccc1 21081570 WECXSKZXRVMLAW-LFVJCYFKSA-N 428.949 4.724 30 10 IJEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1Br 21230835 STNAHVDEGKEDSD-SJORKVTESA-N 440.337 4.770 30 10 IJEE CCc1ccccc1N/C(=N\C(=O)c1cc(C)cc(C)c1)NCCc1c(C)nn(C)c1C 32973653 XQNVQSJRWHCOGO-UHFFFAOYSA-N 431.584 4.657 30 10 IJEE C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1Br 33391917 FJLCXQCBVUOSMC-PTNGSMBKSA-N 427.254 4.521 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 33451106 QHOAWOGVYGAVAB-QHCPKHFHSA-N 428.488 4.649 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(cc4c(c3C)OCN(CC(C)C)C4)C1=O)cn2C 41589152 LPKRZVGWKAZSRH-AQHIEDMUSA-N 432.520 4.919 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2O)S/C1=N/c1cccc(C(=O)O)c1 100931212 TXXLKDJQEZRGGE-RLYGRLLTSA-N 439.537 4.561 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(CC)cc2)cc1 106072595 AEQPVPOADZVJPL-UGUGFTGJSA-N 446.503 4.961 30 10 IJEE C#CCN(Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 110981826 XQTZTZRSHVJNGD-JOCHJYFZSA-N 441.556 4.783 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(O)cc2)c1 169960588 VKDGSOAWGWREOK-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccccc2)c1 170051532 IODMCMYQLNDWDW-QHCPKHFHSA-N 441.483 4.873 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)c1 170095562 GKYMSMAEZJPXKC-QFIPXVFZSA-N 441.443 4.502 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1ccc(C)o1 170100014 BIXZEVIOGQOXBJ-QHCPKHFHSA-N 446.503 4.754 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)ccc1Cl 170132599 WAMKSHWAAGJMPG-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1cccs1 170165448 RTUVAETXQMVLMW-MRXNPFEDSA-N 436.327 4.508 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccnc1 170196428 HWQXCAJOISISAP-QHCPKHFHSA-N 449.595 4.608 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(O)c(Cl)c1 170219729 JCWGJBUMXXCFID-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(O)c(Cl)c2)c1 170219991 PTPJZUCULWOYIH-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1C 170259626 OQENQWWCYODFSA-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccco2)cc1Cl 170279703 QVPPWVQWGPCJLB-SFHVURJKSA-N 429.881 4.782 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccc(C)o1 170310393 WMLDZJXZIDVTTL-FQEVSTJZSA-N 447.915 4.643 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1cccs1 170312576 UPHPKUUQDSHFGX-KRWDZBQOSA-N 440.502 4.805 30 10 IJEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 170348913 AARFIJONMVVWGZ-HSZRJFAPSA-N 439.471 4.523 30 10 IJEE COc1ccc2c(c1)c(CC(=O)ON1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1 211829601 OPHIQOHQDMTIES-UHFFFAOYSA-N 440.927 4.787 30 10 IJEE O=C1C(=NNc2ccc3ccccc3c2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 254489601 FYHIPCPWBNQUPS-UHFFFAOYSA-N 435.443 4.967 30 10 IJEE Cc1ccc(-c2cc(C(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)n[nH]2)c(C)c1 494868711 AFTHIAVVPCMUPE-MRXNPFEDSA-N 443.532 4.773 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 498690317 XYSPQDLTLNIRIK-BJKOFHAPSA-N 438.522 4.758 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1 505010504 HVIKZLWPLRWHBV-SFHVURJKSA-N 428.602 4.709 30 10 IJEE COc1ccc([C@@H](NC(=O)N2CCC(C)(C#N)CC2)c2ccccc2Cl)c(OC)c1 508348121 IZGIQESBUUECQD-NRFANRHFSA-N 427.932 4.782 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 508863428 INUOOHZGSKHQED-RXVVDRJESA-N 436.581 4.731 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 508919944 SFNYFTGDHQXTRK-UHFFFAOYSA-N 436.506 4.741 30 10 IJEE CN(C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C1Cc2ccccc2C1 516730363 FBYOQYBNMVWHFW-QHCPKHFHSA-N 443.934 4.560 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccc(O)c2)cc1OC 526487424 XZXUMBADGPRVSZ-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 526516584 PNZRGKPGJZSTBW-QFIPXVFZSA-N 427.416 4.532 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526825697 IZVIKTFMRFFIRW-QRVIBDJDSA-N 443.504 4.851 30 10 IJEE COc1ccccc1[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 555152106 HJQWWLUWXBSCBU-QHCPKHFHSA-N 435.531 4.868 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 555240716 RWYZXSNPJYJBEP-QGZVFWFLSA-N 449.521 4.529 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2cnn(CC)c2)CC1 559004854 BANKHHAMZMUHGR-UHFFFAOYSA-N 440.979 4.784 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@@H](CC(=O)NC2CCNCC2)n2ccc3ccccc32)cc1 585850140 HRGXIVMUNCWPHJ-CJVCNUQRSA-N 443.591 4.847 30 10 IJEE C[C@@]1(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCN1C(=O)c1ccccc1 609724107 VFKGVCHYJZDDDH-SANMLTNESA-N 425.488 4.984 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2CCOc3cccc(F)c3C2)cc1 619787411 VWHJGNVYJPYYKW-UHFFFAOYSA-N 431.467 4.897 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)cc1 727122364 CJUFPNJVWXZOAZ-AHRSYUTCSA-N 442.560 4.501 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Cl)cc1Cl 787043676 BMLARVKHYDCJLB-CJYSPXJISA-N 437.273 4.961 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 789457800 WOSZECKEPCPEBS-IBGZPJMESA-N 430.932 4.818 30 10 IJEE C=CC[C@@]1(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CCCN1C(=O)OC(C)(C)C 791717857 LVKCIDHINWHSFJ-XDHUDOTRSA-N 441.528 4.995 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](c2ccccc2)[C@@H](C)C1 800773837 NFXMGYBQKDHZMB-NZQKXSOJSA-N 445.567 4.521 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCCN(c2ccc(C)cc2)CC1 812178449 FTNBHIYCUYBGPB-UHFFFAOYSA-N 431.584 4.596 30 10 IJEE C=CCn1c(SC[C@@H](O)c2cc(F)ccc2F)nc2sc3c(c2c1=O)CCCC3 916981731 NRIDMDXLVNTYJE-MRXNPFEDSA-N 434.533 4.627 30 10 IJEE CCN(CC)c1c(C=NNc2nc(SC3CCCC3)n[nH]2)c(C)nn1-c1ccccc1 1084003230 JNISMZAUDDQWHS-UHFFFAOYSA-N 438.605 4.626 30 10 IJEE CCCCC(C)=NNc1nc(SCC(=O)Nc2nc3ccc(OCC)cc3s2)n[nH]1 1084271555 PHCUXTMEWJWTQX-UHFFFAOYSA-N 447.590 4.522 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccccc2)C1 1116941539 WCVFOUBEJMGOTP-AVRDEDQJSA-N 438.959 4.901 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)cc1 1125466789 OJFIKJZLEXDEHJ-LEWJYISDSA-N 426.463 4.844 30 10 IJEE C#CC[C@@]1(C(=O)O[C@H](C)c2nc3ccc(Cl)cc3n2C)CCCN1C(=O)OC(C)(C)C 1126703739 BABLAQVQVBABLG-CMJOXMDJSA-N 445.947 4.624 30 10 IJEE COC(=O)c1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c2cccnc2n1C 1132461857 GHCFINXTWPQFFB-UHFFFAOYSA-N 442.500 4.635 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccoc1 1136439855 PBMFNHMSYRTQCJ-DEOSSOPVSA-N 430.504 4.769 30 10 IJEE C=CCC1(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)CCCC1 1140633744 MZKUPIKMBKHCOD-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE C#C[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1160815838 HQFQOBNBNYALLZ-FCHUYYIVSA-N 449.938 4.537 30 10 IJEE N#Cc1c[nH]nc1NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1162743147 DPVMYBLIDQIGTH-UHFFFAOYSA-N 434.297 4.763 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCNc2ccc(C#N)c(Br)c2F)CC1 1186881794 VSCRMVAMXJVDCO-UHFFFAOYSA-N 426.330 4.909 30 10 IJEE Cc1cc(C)n(-c2ccc(CNC(=O)Nc3cc(F)cc(C#N)c3)c(C(F)(F)F)c2)n1 1208345781 AWYPJIKZCIOJLA-UHFFFAOYSA-N 431.393 4.840 30 10 IJEE COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C#N 1208405599 DACUDERLTXSISI-KRWDZBQOSA-N 433.295 4.509 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2n1 1209590982 PGHWMHFGSYWYJX-UHFFFAOYSA-N 430.339 4.883 30 10 IJEE C=CCONC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1251128980 DKQLZJSBBBCQRM-QGZVFWFLSA-N 426.369 4.571 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)c1ccccn1)c1ccc(Br)cc1 1252458815 MSGHLOFCTGCZNU-RBBKRZOGSA-N 448.364 4.844 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 1253384161 YQCHPIZSQZRCMW-MISYRCLQSA-N 433.296 4.763 30 10 IJEE Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1c(C)c(C#N)nn1-c1cccnc1 1273658104 FJWWMRWVNBKNEU-UHFFFAOYSA-N 434.912 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1CC 1286291268 WHVJTFXNNPIQBP-SLFFLAALSA-N 446.599 4.520 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2nccs2)CC1 1286356191 LDOCVSNTRWAEBP-UHFFFAOYSA-N 435.597 4.728 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@@H](F)C1 1286421300 CWGXNVUBSHFPQV-XZOQPEGZSA-N 443.570 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1c(C)coc1C 1286433978 BCXPTTWYMQAWGO-UHFFFAOYSA-N 438.984 4.945 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@](C)(CC)C1 1286498551 JLMDYKPQSXODQW-GAJHUEQPSA-N 444.670 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccoc1 1286548506 BJTSEOJBTKCCHJ-UWJYYQICSA-N 442.947 4.818 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(C)o1 1286562523 GTZRTJJGUXJCMA-HYBUGGRVSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1-n1cccn1 1286569769 YPZYDLXDJADQCX-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1286593776 XKIYRKBTPKEYCU-LEWJYISDSA-N 430.543 4.897 30 10 IJEE C=C(Cl)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286635477 TXIKCSMXNOIRKQ-CALCHBBNSA-N 449.983 4.809 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCN(CCC)C2)CC1 1286657284 WAXQWIAUPLMBSE-TZIWHRDSSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1286662224 BBZZVQXNMCCDKV-HXUWFJFHSA-N 431.584 4.554 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@@H]1CC(F)(F)CO1 1286744126 AYMLEYGNZLJNKU-IBGZPJMESA-N 434.506 4.767 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCSC1 1286759266 AJVXYJKQWFCFQK-LJQANCHMSA-N 440.016 4.982 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1CCC1CC1 1286763828 VOKINDLMLCNREQ-UHFFFAOYSA-N 430.350 4.664 30 10 IJEE CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cccnc1OC1CCCC1 1287179296 HWUXRHJBBUTBDN-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE CC1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)C1 1289009932 GHCOECDGOIDDDH-HXUWFJFHSA-N 425.602 4.641 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1292934331 VXGVYNWIXCGNIH-XJKSGUPXSA-N 434.886 4.789 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C)nc1NC)c1ccc2c(c1)OCCO2 1293125843 QUGCVDXJZQQPPZ-UHFFFAOYSA-N 445.519 4.615 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1Cl 1300368362 VJJQHVJAXOUROI-UHFFFAOYSA-N 432.959 4.610 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1CC 1300611751 KDRKVGUNBCTFCO-UHFFFAOYSA-N 429.387 4.839 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)CCC 1300849705 SGFFGHRLJNGEKJ-KSSFIOAISA-N 435.366 4.572 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301023027 ALVOXXDAKFSAPV-BLLLJJGKSA-N 426.826 4.600 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1301137909 YIFMQZWKVUMTST-OALUTQOASA-N 442.007 4.699 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1301176570 DSSNMUNTRRTRTN-UHFFFAOYSA-N 439.535 4.677 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCc1sccc1C 1301294534 RIAXWSGAZLEVDP-SFHVURJKSA-N 445.633 4.627 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CC[C@H]1CCOC1 1301354720 HOWVZRBYRCKWRR-SFHVURJKSA-N 426.561 4.689 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1Cc1c(C)noc1C 1301359155 DWXXIHRQVDGKBV-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCOc1cccc(F)c1 1301362854 KTIPPVJMOVDPDE-OAQYLSRUSA-N 442.560 4.992 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@H](C)C1 1301399444 NFFFNQSNHTWZJJ-UNMCSNQZSA-N 444.583 4.597 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](OCCC)CC1 1301535877 PJVGLDMTLGUQNE-JTHBVZDNSA-N 440.588 4.528 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 1301947549 YQUBTSSCGVNAJR-YLJYHZDGSA-N 426.561 4.519 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1301964891 FPMRZVWYTSVUMI-RRQZXNHTSA-N 433.604 4.533 30 10 IJEE C=CCCn1cc(CN2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nn1 1308587468 ZQPTZEDFRGVIIV-UHFFFAOYSA-N 428.005 4.554 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CCCC1(C)C 1310712126 WSBROTQHXMANMC-OAHLLOKOSA-N 443.285 4.798 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc([C@@H]2C[C@H]2C)nn1-c1ccccc1 1311114196 DDQAZIKTLYNMDP-XMSQKQJNSA-N 429.524 4.548 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)c1ccc(Cl)cc1F 1312943299 PKVARNATJGPGHI-LJQANCHMSA-N 436.314 4.702 30 10 IJEE CCN(C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)c1ccc(C#N)c(Cl)c1 1356457040 DBNOJOWISONKQL-UHFFFAOYSA-N 426.854 4.831 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)Cc1csc(Br)c1 1358909989 ZCBAKZIRQGWJQD-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1N(C)CCCC1(C)C 1359111026 LYFKBKRCDGSSRF-HSZRJFAPSA-N 447.631 4.654 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1359155467 YXDARDZYVAACMK-HXUWFJFHSA-N 437.931 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2ccccc2)CC1 1359161156 RROBTLYZAOENFB-INIZCTEOSA-N 426.362 4.996 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359175693 WKHBLJLWQZTFCS-JOCHJYFZSA-N 449.643 4.904 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1359199127 LPEVIGUETSDZNA-IRXDYDNUSA-N 446.617 4.657 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@@H]1CCSC1 1359219555 UYFXAQNRYAGYRQ-MRXNPFEDSA-N 437.407 4.528 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCc2ccccc21 1359229403 IOVOJFJPKVKPAL-DNVJHFABSA-N 438.616 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc([C@@H](C)O)cc1 1359263683 JACNQDKMLAZSDX-GCJKJVERSA-N 438.597 4.875 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359338012 IVBFKZSLGQPIOF-LJQANCHMSA-N 443.020 4.765 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1359338878 KRAFOHOMQFDHFL-JOCHJYFZSA-N 426.630 4.680 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC/C=C\C2CC2)ccc1Cl 1436404248 QKMPYMFKHADOJZ-ARJAWSKDSA-N 448.947 4.556 30 10 IJEE C=CC(C)(C)CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 1437999988 JYMBCODNZANEJG-UHFFFAOYSA-N 429.358 4.962 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(OCc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1438199512 RHIBGCYQXJOPMP-SANMLTNESA-N 434.536 4.997 30 10 IJEE C=CCCN(Cc1cc(I)cc([N+](=O)[O-])c1)OCc1ccccc1 1459970771 BWNWTXGLQJEBLO-UHFFFAOYSA-N 438.265 4.709 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 1460780458 HDKOCPMEQSFCBT-DYVFJYSZSA-N 429.314 4.861 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc(OC)c1OC 1461283821 LARNQWUHNODHQH-NHCUHLMSSA-N 437.536 4.732 30 10 IJEE C#CCN(C)CCCNCc1cn(-c2ccccc2)nc1-c1ccc2cc(OC)ccc2c1 1461554937 YLCRQIHUVSVTNQ-UHFFFAOYSA-N 438.575 4.746 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCCOc1ccc(Br)cc1 1468397127 WEHKWCNHMINEFY-UHFFFAOYSA-N 429.767 4.941 30 10 IJEE C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 1468457068 GOJHBWAVLXRSSU-KRWDZBQOSA-N 435.911 4.735 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](C)Oc1ccccc1Br)c1ccc(Cl)cc1F 1469198716 BZOWFPWAQFIIDG-SJCJKPOMSA-N 439.712 4.683 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 1474819874 PUUYQGLNFOPSSK-FQEVSTJZSA-N 435.973 4.665 30 10 IJEE Cc1ccc([C@H](NS(=O)(=O)c2ccc(CC#N)cc2)c2ccc(F)cc2Cl)cc1 1474952372 DZEUFJOHJMELLC-QFIPXVFZSA-N 428.916 4.922 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507529804 RFRGYXXWIJCKIB-APWZRJJASA-N 445.995 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(C)CCCS1 1507662330 ILQRUNPCSQTSNE-HOYKHHGWSA-N 438.666 4.880 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1507679658 PEQYPVSKIURTQG-AABGKKOBSA-N 444.023 4.651 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1Cc2ccoc2CC(C)(C)C1 1507919718 HSYOVKWFTIJHCF-FPOVZHCZSA-N 442.604 4.786 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1507951725 HXJNFCASWIRJQA-FQEVSTJZSA-N 435.597 4.538 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN1C1CCCCC1 1507982062 QRQCCKYFYZNCPK-IBGZPJMESA-N 429.559 4.566 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H]1C 1508000537 BXPMGBCUYBIMEY-JJTGBXKASA-N 438.616 4.948 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1Cc1ncccc1N(C)C 1508000956 HAEBTOBHXXLKJR-UHFFFAOYSA-N 428.540 4.548 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1508008103 KNJOARCFCFLPAX-SFHVURJKSA-N 445.633 4.742 30 10 IJEE C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)c1nccs1 1510052813 HDMUGNHUWPJQQS-HNNXBMFYSA-N 426.977 4.522 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)cc1OC 1519706881 BZQQRMCYCXTKRD-MLBQELRYSA-N 448.332 4.922 30 10 IJEE C=CCC[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)c1ccc(C(F)(F)F)cc1 1520114377 UBZHJNVGFKSYCF-KRWDZBQOSA-N 445.401 4.632 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1Br 1524960725 DEQITTSCDANNPD-UHFFFAOYSA-N 432.274 4.601 30 10 IJEE Cc1cc(C#N)cnc1C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 1525288508 CJASMYRMXMAOLG-UHFFFAOYSA-N 442.372 4.924 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)cc1 1527122191 NINHSJMSTJKYJX-UHFFFAOYSA-N 428.532 4.714 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)c2ccccc12 1527328812 HSYQNTOAATVLMU-GDBMZVCRSA-N 435.886 4.734 30 10 IJEE C=CCC1(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CCOCC1 1527965153 YINPVPNPJXQJTO-QFIPXVFZSA-N 438.568 4.895 30 10 IJEE C#Cc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 1528531271 SKMXKQYOYTXEHJ-IBGZPJMESA-N 432.442 4.569 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1530533469 BKJFDJIRHIVENM-CVDCTZTESA-N 444.984 4.965 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1OC 1533493042 QBYRARZWXIJINY-LUAWRHEFSA-N 443.521 4.661 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 1535432791 CCXMCYHZYZIBFZ-UHFFFAOYSA-N 440.341 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1nccnc1C 1538985535 ASXNMNPORXFMFM-MRXNPFEDSA-N 446.555 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCCCC1 1539346867 MEUUIBYITPDWKI-UHFFFAOYSA-N 428.005 4.759 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CC[C@H](C)C1 1539399773 SJSKZJBIJDPTDP-RBUKOAKNSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@@H](c1cccnc1)C(C)C 1539549938 YRBAFALKIIFYMU-ATIYNZHBSA-N 429.568 4.781 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1C 1539599800 DEWWUSHPINNFGZ-QGZVFWFLSA-N 426.362 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1539636486 KWJUZIXIPUBYKQ-RDGATRHJSA-N 449.574 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C)C1 1539646244 SLXSDRMZAOVEIZ-SPEDKVCISA-N 430.980 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCn1cc(Cl)cn1 1539649934 GNNAXLBEXUSLRS-INIZCTEOSA-N 432.931 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1nc2cc(Cl)ccc2s1 1539671484 KJZVGSUSKGSAGI-UHFFFAOYSA-N 438.988 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C(C)C)CC2)CC1 1539836579 WXHUZKPDENJNCE-UHFFFAOYSA-N 426.561 4.564 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1539854531 SBZFQVMEOBFYOI-QPPBQGQZSA-N 438.616 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC(C)C)C1CCCC1 1539909457 LIIWWOQUARYPAB-UHFFFAOYSA-N 448.619 4.928 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1539920990 OFDZWHKTIHGDAC-IBGZPJMESA-N 443.586 4.814 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1N(C)CCCC1(C)C 1540174770 PXZVESFGBVPQSA-HSZRJFAPSA-N 432.616 4.580 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1540616994 NKRILHXQNHJCNB-XMMPIXPASA-N 440.609 4.618 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCCCS2)C1 1540884696 TYQMZRVYPJISAJ-DUXKGJEZSA-N 446.592 4.624 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC=CO1 1541972802 BRJJDIISGYMHGK-UWJYYQICSA-N 441.963 4.894 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)cc1 1544318183 AOPPTUFMQGGQCW-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 1544886564 DHGJHDJZBLKVRD-RLSLOFABSA-N 447.579 4.754 30 10 IJEE COc1ccccc1-c1ccnc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n1 1544955013 DETFHDAQVFHPOG-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(CC)(CC)SC 1545537131 AMZQHSBZTDPMRF-LJQANCHMSA-N 440.661 4.912 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCCC2)C1 1546106041 HFPQXVPLPJADNM-OAQYLSRUSA-N 434.632 4.955 30 10 IJEE C=CCN(CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)Cc1cccc(C#N)c1 1559508968 SVEWNKURVDBYNL-SANMLTNESA-N 449.982 4.697 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](c2ccccc2OC)c2nccn2C)cc1OC 1560258420 ITQGJSCKKZDCEP-NRFANRHFSA-N 427.932 4.535 30 10 IJEE C#CC[C@@]1(C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1583689494 JRUWMJOPAXBZTJ-VGSWGCGISA-N 436.474 4.862 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1587656432 IHJCVBHKCVPUGC-HWBMXIPRSA-N 433.644 4.769 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@](C)(O)C1CCCCC1 1588185529 IBJPZFNISQVQSV-HHHXNRCGSA-N 444.623 4.542 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1CC 1588189095 DCRQVQCQOPMVLM-QUCCMNQESA-N 439.401 4.997 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1cccs1)N(C)C 1588194411 VUHPIRXASNQTPH-FQEVSTJZSA-N 443.576 4.519 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2C#N)[C@@H](C)C1 1588270541 GFIDOMZTQZRYFN-KBPBESRZSA-N 445.610 4.635 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)C1CCC1 1589581953 WXQMGNNMIAEZEL-HTAPYJJXSA-N 428.602 4.549 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1593717694 JDCRDPCETLATMT-CTNGQTDRSA-N 440.588 4.712 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(COC)CCC2)CC1 1594014567 STBZVQZODGYRLP-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2c(CC)noc2C)CC1 1594194381 VUSVDQJDSRTJTJ-QGZVFWFLSA-N 439.535 4.867 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2CCc2ccc(OC)c(OC)c2Cl)CC1 1594409716 ZNKDMGIVWAIZRE-UHFFFAOYSA-N 430.980 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCOC 1594473147 NFQQCXKHJMFKMJ-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@@H](O)C1)C1CC1 1595065762 XLWAWVDOQXJQFO-SIKLNZKXSA-N 438.616 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1cccc(C)n1 1595205402 ULTCHQLLLIGKHK-UHFFFAOYSA-N 426.524 4.725 30 10 IJEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 1615909955 DKOPMFPBLPLSBH-XMMPIXPASA-N 443.478 4.617 30 10 IJEE Cn1c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)nc2cccc(Cl)c21 1618376768 ACJYIMXYSFOILO-HSZRJFAPSA-N 439.995 4.585 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(C#N)C2)cs1 1618925193 BPOKDXOVMKWPNZ-HXOBKFHXSA-N 436.585 4.596 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCC[C@H]1C 1619909576 CAYNPDWESJMPRL-UYAOXDASSA-N 432.572 4.604 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F 1637372612 CKQDLVWXMLZWKY-QZTJIDSGSA-N 428.495 4.916 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1638439824 ILCMFNVSTWNHPE-ACRUOGEOSA-N 430.589 4.941 30 10 IJEE CC(C)c1ccc(CSCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 1640894669 CPZKDPLVKOCQDA-QHCPKHFHSA-N 425.573 4.591 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)C(F)F 1641217021 FMBIQSHMYCVHKJ-QGZVFWFLSA-N 445.466 4.629 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1cc(F)ccc1F 1644504964 UCWQVQKCSZSHID-LBPRGKRZSA-N 427.264 4.882 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)c2ccccc21 1644646988 FIGFTCVEHWZXED-IBGZPJMESA-N 445.523 4.627 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCCC[C@@H]1C 1649538839 IMEMSHKTTJKMOG-YADHBBJMSA-N 444.627 4.914 30 10 IJEE CO[C@H](CS(=O)(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CCCCC1 1653731795 GUSRLOWKDDQVRM-XMMPIXPASA-N 444.572 4.625 30 10 IJEE COc1ccc([C@H]2CCCN2CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1F 1654170556 BSXAECXPELCNJO-HSZRJFAPSA-N 446.526 4.889 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H]1CCCN1C(=O)OC(C)(C)C 1657161629 HZFSCFQIUSATDR-QGZVFWFLSA-N 427.358 4.976 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 1660213374 ZZHCLTIULRHQPH-GOSISDBHSA-N 427.994 4.512 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2CCN(Cc3cscn3)CC2)cc1 1661854383 BBXTZADVBNKEDM-UHFFFAOYSA-N 435.578 4.516 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCOC)Cc1cccs1 1662573177 FMXGEDLGQZISBK-UHFFFAOYSA-N 425.348 4.756 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 1664430155 FFBCFGSRZRAFGT-HSZRJFAPSA-N 443.515 4.918 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc1 1664779056 ITPLFPAGQSBDCY-HBMCJLEFSA-N 448.629 4.508 30 10 IJEE O=S(=O)(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1C(F)(F)F 1667012033 CMEHWHIRODLGQA-UHFFFAOYSA-N 441.368 4.873 30 10 IJEE COC(=O)Nc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 1668741154 CWHSMZZIRMQDTM-UHFFFAOYSA-N 444.491 4.946 30 10 IJEE C#C[C@H](NC(=O)NC/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1 1673024575 CVNAWTULDIXSPI-WHLIDYPQSA-N 448.158 4.899 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)c3ccc(OC)cc3Br)cc2n1 1673221038 XWBZCCPIAKRDGD-ZDUSSCGKSA-N 429.318 4.876 30 10 IJEE CC#CC[C@H](CO)NC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675723773 LYMYQNNELAPEMK-VQIMIIECSA-N 444.362 4.680 30 10 IJEE CC(C)(CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(F)cc1Cl 1678833193 BMAIMBISMYHHOO-UHFFFAOYSA-N 444.938 4.713 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 1680609426 XVYLZXQYZGQYHA-XMMPIXPASA-N 444.579 4.793 30 10 IJEE Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1686076823 DDZUPQQEADYYGS-CJFMBICVSA-N 443.547 4.642 30 10 IJEE C#C[C@@H](NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C)c1ccc(Br)cc1 1686919335 DMHYZTLKYWOBGJ-RTBURBONSA-N 429.362 4.790 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCCc1ccnc(C(C)(C)C)n1 1689828285 MUZSCGZOLKILCF-NFBKMPQASA-N 444.627 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCn1cccn1 1689837216 BAGITROVPGGTQR-QGZVFWFLSA-N 434.544 4.557 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1689900135 BNOFEAYSHQDEQY-XMMPIXPASA-N 430.600 4.603 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)SC 1690033406 WXBHDWUIIFUXSY-KRWDZBQOSA-N 431.005 4.676 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)OC(C)(C)C1 1690161872 TWRNHIOSHRYHCU-IRXDYDNUSA-N 444.670 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)(C#N)CC1 1690251536 WHBWSYOHKPRHLH-ZJSXRUAMSA-N 449.599 4.585 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC12CCOCC2 1690533452 IPBDBIJUERNJRX-OAHLLOKOSA-N 437.371 4.603 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC2(CCOCC2)C1)C(C)C 1690581326 PFRSLDAWABPGJT-DEOSSOPVSA-N 449.643 4.651 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCCC2)C1 1690735523 AMHHNXXCWNLPEW-GOSISDBHSA-N 446.592 4.626 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCSC2)on1 1694293655 DNWYIYGGDXYPTJ-IBGZPJMESA-N 436.585 4.698 30 10 IJEE CCC1(Cn2c(N3CCCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CCC1 1694529388 FYTSHRPAVJLHHX-UHFFFAOYSA-N 434.632 4.740 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CC[C@H](F)C1 1696173451 GWRYJQDZXURVKB-AXHZCLLHSA-N 441.551 4.524 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705528689 ORIQXFWIHIOYGW-XMMPIXPASA-N 449.643 4.848 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1705682448 ABMSXNVPWJPRBY-CYBMUJFWSA-N 448.390 4.559 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccsc1 1705704189 ZKSZBPINLWXHGO-DENIHFKCSA-N 426.561 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)CCc1cccs1 1705707967 VEJUTRZXPRIVQL-TYPHKJRUSA-N 430.618 4.631 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1705719686 HMUMTBDEXCIXBV-ZJSXRUAMSA-N 426.605 4.937 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1705769797 FDIBEIQPEYPCDL-HXUWFJFHSA-N 425.596 4.675 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2csc([C@@H](C)OC)n2)CC1 1705783643 OHSNANVUFTXMPI-MRXNPFEDSA-N 441.576 4.623 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705791450 WLECUWQEAARTJW-FCHUYYIVSA-N 435.572 4.572 30 10 IJEE C=CCCOCCn1c(N2CC(C)(C)OC(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1705832225 QUNMEBGVSJJTPC-UHFFFAOYSA-N 438.616 4.735 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(C(N)=O)c1 1705870026 AFRXMBBRWJQJRZ-UHFFFAOYSA-N 447.608 4.601 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCCS1 1705876794 KJRQXBMRVINLAU-MOPGFXCFSA-N 447.649 4.814 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H]2CCCc3c2cnn3C)cc1 1705911864 RVSBLERWCDQLCV-JOCHJYFZSA-N 448.615 4.727 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1722274852 AQWJBCIVANGMEY-WSTZPKSXSA-N 433.625 4.908 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C1CCCCC1)N(C)C 1722281756 VQMXOABBKMBTKM-CJFMBICVSA-N 444.627 4.770 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(C2CC2)CC1 1722284676 LGACPBPWSLALGJ-HNNXBMFYSA-N 432.399 4.584 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722311825 KZBSKDBVLHQWEY-IBGZPJMESA-N 442.991 4.542 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC(F)F 1722492793 VATRYFCYICKGEC-YRNRMSPPSA-N 438.494 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1([S@@](C)=O)CCC1 1722501744 JJMACQNJFURMGH-SSEXGKCCSA-N 446.686 4.979 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1722564891 UDGMOVPLSYVWQT-PWRODBHTSA-N 440.588 4.524 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC(C)CC1 1722659308 SJARPJHICARMCU-OAQYLSRUSA-N 448.590 4.792 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCS1 1722660200 OXPTWPMPLWLZAF-VQTJNVASSA-N 430.593 4.790 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)(C)C)C1 1722715483 NWIBXLAXULKSJE-WOIUINJBSA-N 442.579 4.707 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(C)CCCS1 1722957820 BALZUKYCLGOMTC-HYBUGGRVSA-N 439.629 4.602 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCCC[C@@H](C)C1 1740595764 YEFRCIKFNRFRDN-QGZVFWFLSA-N 431.378 4.659 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCC(F)(F)F 1740650193 RUGKCBFFVICZNK-MRXNPFEDSA-N 434.531 4.937 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Br)cc2)n1CCCC(C)C 1740658778 OCXMPFBMTMOIFQ-UHFFFAOYSA-N 443.389 4.519 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)CC[C@@H]1C 1740713636 JKQHJBOKODWMOL-HOTGVXAUSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(C)C)C1 1740758638 AAMVGYLQILRUNP-BSRJHKFKSA-N 430.543 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccn1 1740764132 USUNFJGFDBUSRI-DYESRHJHSA-N 444.004 4.596 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](CC)C1 1740789185 ICZFQOFWEKKFFR-DOTOQJQBSA-N 439.387 4.848 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N(C)Cc1cc(Cl)ccn1 1740815426 YTEUQGSKPNCYEQ-UHFFFAOYSA-N 432.355 4.857 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1740853409 CPUYWVLQMXMFTN-BHIYHBOVSA-N 442.489 4.730 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC(=O)N(C)[C@H](C)C1 1740857756 BEZOBTPXKGPNFY-OAHLLOKOSA-N 444.004 4.836 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(CC(F)(F)F)CC1 1740861326 JCQKICJYGULNAV-UHFFFAOYSA-N 446.521 4.857 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1740915898 WXHFABJWFJXFCG-RUZDIDTESA-N 438.572 4.720 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C)COC1 1740928197 XSNFXPOVEWLZOC-UHFFFAOYSA-N 437.769 4.576 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@H]1CCO[C@H](C)C1 1740939580 ZCXYNQUZAZABIG-RTWAWAEBSA-N 449.599 4.646 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](c2ccco2)C1 1748735662 VGNCQUIBCWIKGW-HNNXBMFYSA-N 443.320 4.847 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@H]1CC 1748837975 UCANXPWECFGFOQ-QZTJIDSGSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1sccc1C 1748855967 NRIOYRAWSJAUNQ-UHFFFAOYSA-N 432.593 4.780 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1749024349 NRVWDHAUWIRBDI-OAQYLSRUSA-N 436.581 4.817 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1749089664 ACQBFSDHAFOYFI-TXEJJXNPSA-N 427.293 4.547 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1749198612 OLDYPWAAMGQUDZ-IBGZPJMESA-N 447.967 4.580 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@@H](C)c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749282335 XSLHJLRUWBLOSC-HRCADAONSA-N 435.956 4.592 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccnc(SC)c2)CC1 1749311310 MDYJVRCYPJRTOH-UHFFFAOYSA-N 435.597 4.741 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2oc(CCC)nc2C)CC1 1749334138 CLSJXUFMISVQBO-UHFFFAOYSA-N 426.952 4.693 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2cscc2C(F)(F)F)CC1 1749343920 UVZLZMFMGJTMNK-UHFFFAOYSA-N 433.503 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749357123 JWFQAEROESMSCE-KBPBESRZSA-N 439.423 4.985 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CCCC1 1749426549 FKSHLWZAFJSJNV-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749447708 LYJUBYZHQIJVKY-SFHVURJKSA-N 427.574 4.588 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(=C)Br 1749498616 CIVLTAKKUMVJOQ-UHFFFAOYSA-N 439.785 4.782 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CSCCS1)C1CC1 1749508261 MRARGQBGROMHGU-DNVCBOLYSA-N 434.606 4.561 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H]1C(=C)C 1749546864 FXHASZNPMVIFAN-ZJSXRUAMSA-N 447.558 4.961 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(OC)CCOC1 1749549144 QSMGLQSYYBCIPP-JOCHJYFZSA-N 444.988 4.658 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1749746573 HUJLUSBFDMNPBK-VQIMIIECSA-N 430.599 4.794 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1749754279 JFJANRPXGCDHFY-UXHICEINSA-N 449.020 4.670 30 10 IJEE CSCc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)cc1 1750285769 HQVLNHCWIYWXOS-NRFANRHFSA-N 425.602 4.561 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)c2nccs2)cc1 1751585230 AVFPYEJFFNLQBB-IERDGZPVSA-N 442.589 4.581 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1CCC[C@@H](C)C1 1760215996 WCRNJLXKFOEPQQ-HXUWFJFHSA-N 438.019 4.572 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H](C)CN1CCCCC1 1760240645 XVVZVPVCPLBOQD-NHCUHLMSSA-N 425.596 4.693 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccco1 1760246759 BTZBNWMINLGYQM-UHFFFAOYSA-N 436.512 4.540 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCCc2sccc2C1 1760274581 PZCDOQSTHUQLJI-UHFFFAOYSA-N 429.014 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCS1 1760289427 ORCYSQPKERDSTM-DKZVUGQWSA-N 431.005 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(CN2CCCCC2)cc1 1760332960 RPORSSXKBWBKDH-UHFFFAOYSA-N 430.600 4.777 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1760385063 KUSGDTVFAOMAFS-XMSQKQJNSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1760401776 BWWZGFKCCGYPKA-UHFFFAOYSA-N 432.996 4.988 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1C 1760478973 YPDWJNARFPXWGI-OFNKIYASSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1CC 1760482036 QBVSPUDNMYWEKW-FCHUYYIVSA-N 444.583 4.944 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)c2cccc(C)c2)C1 1760546274 LZXZFAXYAIMPJR-GCJKJVERSA-N 437.613 4.527 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C)CCCC1 1761362611 DZYVUZUELUJMAO-GOSISDBHSA-N 444.624 4.711 30 10 IJEE Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)on1 1762679593 BSBLZWWIDCNXNU-KSFYIVLOSA-N 440.935 4.546 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1 1763411344 GMANBNDFPXPGTK-BVZFJXPGSA-N 448.571 4.527 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(F)(F)C2)CC1 1771538202 HPUCZHBFBNXABM-KRWDZBQOSA-N 433.478 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccc1Cl 1772523040 MNEUNPRCTKPWOY-JOCHJYFZSA-N 426.351 4.882 30 10 IJEE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)nc1 1772751271 LQENCBZKWBDADQ-UHFFFAOYSA-N 433.537 4.571 30 10 IJEE Cc1ccc2c(=O)cc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)oc2c1C 1859750140 MSVLGRGYKBYVEU-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE COc1ccc(CC(=O)Nc2ccc(Cl)c(NC(=O)c3cccc(C#N)c3)c2)cc1OC 1860456632 QKXPTIFEWXZHKA-UHFFFAOYSA-N 449.894 4.662 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(F)c2)cc1 1862390436 CXEYLYFYCDAKJN-HSZRJFAPSA-N 438.543 4.698 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2F)cc1C 1862402911 KJOQASJHEVRFTD-OAQYLSRUSA-N 427.447 4.803 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862444631 CMKSXBRTTMTXCD-QKAVXHIFSA-N 441.911 4.908 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1 1862489375 VEPFOTFOLLVCSL-XMMPIXPASA-N 443.499 4.802 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862558980 DYEWRZCAXWFWRM-HSZRJFAPSA-N 434.536 4.969 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1)c1cccc(O)c1 1862591233 WFYWGTXAHMGSRD-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1Cl 1862627127 KITNSWNTZJAOBG-HXUWFJFHSA-N 427.884 4.837 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(C(F)(F)F)cc1 1862633237 IKHVFBIZYOMAFZ-LJQANCHMSA-N 447.409 4.813 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862649953 KHEXEJGZYTWHPM-XXBNENTESA-N 431.463 4.736 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1Cl 1862654434 XWJAPRVBYBUQEB-JOCHJYFZSA-N 434.923 4.633 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862672976 JBAMBITWJKAPRD-JOCHJYFZSA-N 435.426 4.622 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 1862725193 CRLUFSOGTADNSA-QFIPXVFZSA-N 433.891 4.578 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc3c(O)cccc23)C1=O 1862768498 QCMIHFBWCSSYMK-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE COc1ccccc1C1=C(Nc2cccc3c2CCCC3)C(=O)N(c2ccc(C#N)cc2)C1=O 1863058805 HQIKQTZAIVXAGN-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE N#Cc1ccccc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccccc2F)C1=O 1863501316 BRISZLLNNQHWGG-UHFFFAOYSA-N 436.446 4.571 30 10 IJEE CC[C@](C)(NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866772991 WEWOQWJVBSBZMD-RLWLMLJZSA-N 435.568 4.929 30 10 IJEE CC(C)c1ccccc1OCCCC(=O)Nc1c(C#N)nnn1Cc1ccccc1Cl 1870111202 CWEZLCBRMKTHQD-UHFFFAOYSA-N 437.931 4.773 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CSCC 1870283073 IQWCYEPVXUQZSY-UHFFFAOYSA-N 437.631 4.936 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN(CCC)CCC)cc1=O 1870386713 AMRPAJCOEVNLOM-VWLOTQADSA-N 437.628 4.872 30 10 IJEE C#CCOc1cn(CCCCCO)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871006068 NVIOHXRRBGBIKJ-UHFFFAOYSA-N 440.584 4.594 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871008798 OBUOOFAXLCZOLV-UHFFFAOYSA-N 445.538 4.650 30 10 IJEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1cc(C(C)C)cc(C(C)C)c1 1871133308 CTRMMNWPKAOENT-UHFFFAOYSA-N 439.600 4.798 30 10 IJEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1cccc(NC(C)=O)c1 1871242226 LTECDDVCYVZKEV-UHFFFAOYSA-N 437.927 4.837 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)cc(C)c3C2=O)c(OC)c1 1871369791 YVCMIEULYCKHHA-CDIOHJBMSA-N 432.428 4.840 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871371192 RPAVMWGHLPTDBQ-HMAPJEAMSA-N 444.443 4.805 30 10 IJEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871616244 CNXNLNNXZWIKGM-HXUWFJFHSA-N 439.652 4.534 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCC)cc1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1871924744 NBCNERNGBXJSLV-XXBNENTESA-N 444.597 4.706 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(=O)(=O)CC 1872215415 AANYMKBHYDSKGN-WZONZLPQSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(F)cc1 1872450218 AHKBVGYKLCFAHZ-JOCHJYFZSA-N 432.561 4.933 30 10 IJEE N#Cc1ccc(COc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 1872722188 UNWIHBQQZBMKDO-UHFFFAOYSA-N 446.572 4.781 30 10 IJEE COc1ccc(OCCCC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1872759960 DNRXNYNXQSAZKC-LJQANCHMSA-N 437.477 4.762 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)cc1OC 1872761448 NLAZGRBSBKSOBO-OAHLLOKOSA-N 428.897 4.979 30 10 IJEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccccc3OC)cs2)ccc1OC(C)=O 1872763287 IOLMUVSAPCOVTD-XSFOEPMVSA-N 448.500 4.642 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(NC(C)=O)cc1)n2CCCC 1873656786 MHQLHNHIHXJQBY-UHFFFAOYSA-N 446.555 4.621 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873667634 LQNOCRIGTHHKMY-UHFFFAOYSA-N 446.599 4.523 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874267790 PJBIZWDBQIWONJ-YDZHTSKRSA-N 444.944 4.666 30 10 IJEE CCOc1c(/C=N/n2c(CCc3ccccc3Cl)nnc2SC)cccc1OC 1874275929 MMGOMFJCKQRVPV-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE C(=N/n1c(CCCOc2ccccc2)nnc1SCc1ccccc1)\c1ccccn1 1874315753 JEALIUZZGHLHRJ-NLRVBDNBSA-N 429.549 4.859 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2/N=C/c2ccc(Cl)cc2Cl)cc1C 1874332548 NOXUPLNMVXJVNA-ZMOGYAJESA-N 449.407 4.954 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccccc2O)cc1 1874426949 JJZQVRADEURITD-OEAKJJBVSA-N 431.477 4.733 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2F)c1 1874452960 XDCYSHLDTCGEPS-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C(F)(F)F)cc(Cl)c1O 1874460030 HLQMOEXEDIGXAD-NUGSKGIGSA-N 442.850 4.839 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccc(OCC)cc1 1874504225 LZYVZLFYFWMMOR-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CC(C)c1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874516794 DWHMFLCVZHNVGC-JVWAILMASA-N 449.624 4.990 30 10 IJEE C=CCOc1c(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Br)cc1OC 1874580931 MRGDCRBEQSGDBP-SOFGYWHQSA-N 433.298 4.936 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 1874614315 FDHLUKOSQSNCRO-SDNWHVSQSA-N 431.488 4.926 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1[N+](=O)[O-] 1874638680 MUIYNLNJLAPHPC-DHZHZOJOSA-N 448.475 4.558 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)c1 1875102219 BCURLGWITXAALA-NTEUORMPSA-N 446.459 4.785 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)[C@@H]1CCCO1 1875111494 CPNGLJRPFVQVKW-YXBWYFRISA-N 445.855 4.627 30 10 IJEE Cc1ccsc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1875117483 HUVOQVLVRJWLDV-KRXBUXKQSA-N 438.417 4.988 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875152301 RLNUBQBKOXOLCD-IEJURRBGSA-N 448.874 4.867 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OC)c2)c(OC)c1 1875177562 CERAKEZHRLMIAS-UXBLZVDNSA-N 438.501 4.818 30 10 IJEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3Cl)C2)c1 1891567188 QGDNKJZAAWBXIO-SNVBAGLBSA-N 431.106 4.860 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2O1 1922086279 OVUABJVPSRLOEY-BJKOFHAPSA-N 438.568 4.940 30 10 IJEE CN[C@@H](CC#CC1CCCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1947471108 SROFKHWLDAAOPC-DEOSSOPVSA-N 427.633 4.575 30 10 IJEE Fc1cccc(C(F)(F)F)c1Cn1nc(I)cc1C(F)(F)F 2079172314 QEBJXIFALPXPQO-UHFFFAOYSA-N 438.084 4.713 30 10 IJEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CSc2ccc(Cl)cc2)nc1C(F)(F)F 2084272967 KULQIGAGIIVMIV-NSHDSACASA-N 448.875 4.961 30 10 IJEE Cc1ccc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)cc1NC(=O)OC(C)(C)C 2124519878 OIWPJJFSBPWUKH-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)CO[C@H](C(F)(F)F)C1 2129096041 HUOZKSYFALMYRG-XJKSGUPXSA-N 435.240 4.804 30 10 IJEE CC1(C)OB(c2ccccc2OCc2ccc(Br)c(F)c2F)OC1(C)C 2154455286 HDIBRULSARSFSU-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCCC 2159121616 WTXOFFBCGPTACQ-RTBURBONSA-N 441.385 4.806 30 10 IJEE CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(Br)cc1C#N 2174812410 KSKYNDYTCZLHJH-HNNXBMFYSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)cc1Br 2181138766 FVZXCNOIFGOSPR-GOEBONIOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181144668 WWEUDTGKVSBGSL-CZUORRHYSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)NCC1(COc2cc(Br)cnc2C#N)CC2(CCC2)C1 2198811164 OPUDBTZSIIHWPP-UHFFFAOYSA-N 436.350 4.570 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc([C@](C)(N)C#Cc2ccccc2Br)cc1 2235720493 PNECJFVVBNDUNZ-JOCHJYFZSA-N 429.358 4.699 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2ccccc2Br)C[C@H]2CCCC[C@@H]21 2235722210 JXONNZVBGPUSFD-NEWSRXKRSA-N 432.358 4.938 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2235726474 FHVBLDIRNPUXGG-WDSOQIARSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2235748959 FHVBLDIRNPUXGG-YTQUADARSA-N 435.406 4.862 30 10 IJEE Cc1cc(Br)c(CN(C)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)s1 2237642350 SWRUHDLXMOEFFC-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)c1 2255809222 UMXGSOZUBGVZGJ-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2262199573 JIZLJWFESCFUJL-AOUJKTHWSA-N 447.572 4.655 30 10 IJEE C=CCC1(COc2nc(C)c(N)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2287750571 HLFNJYOMJNMPCY-UHFFFAOYSA-N 440.382 4.707 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](N)C#Cc3cccc(Br)c3)C[C@H]21 2296288437 HCZBSASKJLQASN-RAUXBKROSA-N 433.390 4.554 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(F)cc4)ccc3C2=O)cc1OC 2296867456 QTBUKNULQDGXII-UHFFFAOYSA-N 434.419 4.721 30 10 IJEE CCS[C@H](C)C[C@@H]1CC(=O)C(=CNc2ccc(Cl)c(Cl)c2)C(=O)[C@H]1C(=O)OC 2297624164 UXXDMMKKPZYWAB-FMTVUPSXSA-N 444.380 4.768 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2310851136 PHVOFXYXQUNXMI-OBBCHVIHSA-N 435.608 4.874 30 10 IJEE CC[C@@H](CCNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317349886 KKRZSAKDUKHACF-SFHVURJKSA-N 432.370 4.798 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2cccc3ccccc23)cc1C 2321079952 LBFFJMJWFPVFSE-UHFFFAOYSA-N 429.549 4.970 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)Cc4cccs4)cc(C)c3C2=O)c1OC 2322864060 YLPLAXVIZCYUOX-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE COc1cc(C=NNc2nc(C)cc(O)n2)ccc1OCc1ccc(Cl)c(Cl)c1 2323106075 AGXYWTSUEXBGBF-UHFFFAOYSA-N 433.295 4.831 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 2323473315 KILAYHADLQBNFX-XLGIIRLISA-N 442.600 4.945 30 10 IJEE Cc1cc(OCc2nc(O)c3ccccc3n2)cc2c1C(=O)C(=Cc1cccc(F)c1)O2 2325204006 HLVWVARMJMDOST-UHFFFAOYSA-N 428.419 4.978 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc2c1OC(=Cc1ccncc1)C2=O 2325603445 HDOIEKOAVWBGDA-UHFFFAOYSA-N 438.842 4.816 30 10 IJEE O=C(C=Cc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2325620190 XMVRXDITPOBFQO-UHFFFAOYSA-N 431.447 4.836 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)C(F)(F)F)c2)cc1Cl 2325759231 RSIDLANSNURBBG-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE CCc1ccc(OCCCc2nnc(SC)n2N=Cc2cn(C)c3ccccc23)cc1 2326289791 YKHXKCPWRFKIOT-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(O)c(OC)c1 2327292750 BVEIGRVIZGRDRY-UHFFFAOYSA-N 440.569 4.881 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2cccn2C)c1 2330645466 CHDBYWVROVYLHK-UHFFFAOYSA-N 444.564 4.513 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cnccn3)c(OC)c2)cc1 2330827063 IAFRMVUFVGXZQE-UHFFFAOYSA-N 446.503 4.952 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C2CCCC2)c1 2331077980 CZGRXXLSNZQBPA-UHFFFAOYSA-N 425.602 4.667 30 10 IJEE C=CCSc1nnc(CCOC)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331293917 RUNXBCHYJDQBJE-UHFFFAOYSA-N 442.972 4.860 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2ccc(C)cc2C)c2ccccc2)cc1 2332190413 NOMUOTIAKBZFMA-UHFFFAOYSA-N 449.514 4.944 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339603066 UHAKLXARLMMKBJ-XXFRDUSWSA-N 443.397 4.832 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)cc(COC)c1 2362288346 LYODJWNCGDLCON-RBUKOAKNSA-N 439.394 4.553 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@@H](O)C#Cc1ccc(Br)cc1 2363484566 UEEXPLFBMUTXEK-MOPGFXCFSA-N 436.390 4.977 30 10 IJEE COc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c1 3041748 UKVKYQSEFNBQFK-VYIQYICTSA-N 444.560 4.550 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3)n2)cc1Cl 21077836 LOAMWFJTEKBNAQ-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1 21081139 CALWCBLVHCXIAI-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 28052619 ZYMOLLKMKRGOHF-XDHUDOTRSA-N 446.503 4.967 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2/C=C\c2ccccc2)s1 35568116 CSMSNVNOYOUCHK-HJBMFWNLSA-N 444.556 4.922 30 10 IJEE CC[C@H](Oc1ccc(F)cc1)C(=O)c1c(C)c(C#N)c(=O)n([C@@H](C)c2ccccc2)c1O 38623256 GJGMGAYJNFVQJN-KKSFZXQISA-N 434.467 4.523 30 10 IJEE CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(OCC#N)ccc3c2=O)cc1 41498275 WAFZPCUKMHUGMD-UHFFFAOYSA-N 433.338 4.683 30 10 IJEE O=C(O)c1ccc(N/C(=N/CCC23CC4CC(CC(C4)C2)C3)NC[C@@H]2CCCO2)cc1 65304894 MDFRZRQIFRPBJT-KIZRYQFWSA-N 425.573 4.528 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 102508259 HTFOWIPLDZXGSL-VFJWVMJUSA-N 433.460 4.530 30 10 IJEE CCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 103737702 VBVDSVKHESUAGM-HKOYGPOVSA-N 445.585 4.697 30 10 IJEE CCOc1ccc(S(=O)(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 169904070 AVMZVMKMOYVKSY-BUVRLJJBSA-N 432.586 4.698 30 10 IJEE CCCOc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170091167 GMFYWTBBAJUUDO-UHFFFAOYSA-N 437.499 4.768 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccs1 170164499 JKYIVCNVCHDEMB-KRWDZBQOSA-N 439.364 4.585 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(F)cc1 170241367 WBGRMLRJCJKHRX-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)c1 170242210 NABQDLPTMQNLCB-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cn(C)c3ccccc23)cc1 170269600 NKJDGEYYBRPOHW-QHCPKHFHSA-N 432.520 4.955 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(C)o1 170299182 YXFQRFJQXDWKHB-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1O 170314709 MUNNJPTZECAYQG-SPLOXXLWSA-N 447.512 4.868 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1ccco1 170316413 CQUHINKUSFBEAT-XOBRGWDASA-N 435.501 4.751 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccccn1 170316569 IJGIEKYMMIJWNJ-FQEVSTJZSA-N 430.485 4.976 30 10 IJEE CC[C@H](C)NC(=O)c1c(N)n(N=Cc2ccc(C(C)C)cc2)c2nc3ccccc3nc12 254300835 QVNQXTKUNKDKOV-INIZCTEOSA-N 428.540 4.701 30 10 IJEE C=CCOc1ccc(CN[C@@H](C(=O)O)c2c(C)nn(-c3cccc(Cl)c3)c2C)cc1 426808253 QWJOFOAJWCGRJK-JOCHJYFZSA-N 425.916 4.623 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 432502005 RZGHFHWCJOHSPF-UHFFFAOYSA-N 441.413 4.510 30 10 IJEE CCOc1ccc(Br)cc1CN(C(=O)NCC1CCC(C#N)CC1)C1CC1 442728427 IPUOJZIMDFIGLI-UHFFFAOYSA-N 434.378 4.852 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CC)Cc1cn(C)nn1 460767151 DZLAFAORSZNUQL-UHFFFAOYSA-N 427.965 4.544 30 10 IJEE COc1ccc(C)cc1C1(CNC(=O)c2cn(CCCC#N)c3ccccc23)CCOCC1 468801923 CMEGLWHSDLDDIN-UHFFFAOYSA-N 445.563 4.740 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCC(F)(F)C3)cc2Cl)cc1 491663463 JVWBULXETYIKPX-HNNXBMFYSA-N 433.842 4.637 30 10 IJEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CC1 505214640 BWCDDBFMJXYQBF-UHFFFAOYSA-N 431.414 4.588 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](CC(F)(F)F)C1 508809922 AVUHLXGRSIXKEU-GFCCVEGCSA-N 445.283 4.681 30 10 IJEE C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 508832424 KKRIIVMFMZNCLH-KRWDZBQOSA-N 434.475 4.606 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)cc1[N+](=O)[O-] 526817147 INCCCPWTXSEYPH-YVNNLAQVSA-N 449.895 4.860 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(O)c(Br)c1 526825127 KJJFRTUVADSVDC-FBHDLOMBSA-N 435.322 4.622 30 10 IJEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(C3)OCc3ccccc34)n2Cc2ccccc2)cc1 549155943 STXBJSUOJLIZCM-MHZLTWQESA-N 433.515 4.501 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(Cn2cccn2)CC1 561009686 ABAGDHGRKDDSLP-UHFFFAOYSA-N 431.371 4.941 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 584184911 LHBSLUPKNJGDTR-HXUWFJFHSA-N 446.473 4.829 30 10 IJEE N#Cc1cccc(CC(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 610521641 FQUMBXPTAOHPIQ-VWLOTQADSA-N 444.579 4.816 30 10 IJEE C=CCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1F 684184785 WYHIEOZZGFFQRR-UHFFFAOYSA-N 426.546 4.766 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)CCC(=O)N3CCOc4ccccc43)n2)cc1 731768049 YUBVKOYBMNPAKH-GOSISDBHSA-N 431.517 4.501 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1OC 741606531 QKHPXFYSOYXVDA-XNEGEHJQSA-N 426.582 4.534 30 10 IJEE CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)c1C 741834891 DTSCWJDYMWYIEO-SFHVURJKSA-N 445.519 4.606 30 10 IJEE COc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1C#N 746742066 OGSHWTSQEVDZEW-UHFFFAOYSA-N 442.269 4.787 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)/C=C/c1cnc2ccccc2n1 749135837 OJLKBYWPQRYNGW-CSKARUKUSA-N 426.289 4.759 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)c1 758485259 PYKMVLHNYQHBNJ-QGZVFWFLSA-N 439.437 4.716 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 761036675 JYVOXEKPNHZLNQ-LJQANCHMSA-N 445.441 4.750 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccc2ccccc2c1 761517503 KALQWXKFYPINKH-HSZRJFAPSA-N 429.520 4.636 30 10 IJEE COc1cc(-c2cc(C(=O)N3CCC(C)(C#N)CC3)c3ccccc3n2)cc(OC)c1OC 780778102 BDXBFYZSDXRIBL-UHFFFAOYSA-N 445.519 4.693 30 10 IJEE CC[C@@H](NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccccc1 787037430 QZIHCSDERIMUBD-MAUKXSAKSA-N 425.460 4.678 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)/C=C\Sc1cc(F)ccc1F 797943100 NEEFQPKLYKKEAI-CFHLNLSMSA-N 436.867 4.889 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1c(C)nn(C)c1C 802574624 STULKNKFAMATQJ-UHFFFAOYSA-N 449.386 4.727 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1C1CCCCC1 812177276 AWLXDFOINBFGGJ-QFIPXVFZSA-N 437.588 4.830 30 10 IJEE C=CCCOCC(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)OCC 1124444845 HZKHYKALETWYHJ-UHFFFAOYSA-N 438.343 4.886 30 10 IJEE COc1ccc2c(c1)OC[C@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(Cl)c1)C2 1125792726 FZLAMDYULZFEGV-LJQANCHMSA-N 448.906 4.989 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1127401695 ISAFRYFUQVOICK-KSFYIVLOSA-N 438.490 4.546 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 1129061333 IBBJVGFXKXKUHS-UHFFFAOYSA-N 443.595 4.854 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc(OC)c1OC 1136461107 YBLJKVPSMVNTCY-FQEVSTJZSA-N 449.334 4.549 30 10 IJEE COc1cccc([C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)OC)c1 1148578722 GZGODIRXDYBAQJ-QHCPKHFHSA-N 432.545 4.977 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Nc2ccc(C#N)c(Br)c2F)CC1 1163873756 PIHGNAXUDRSQRL-MQMHXKEQSA-N 426.330 4.955 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)c2c1 1189649200 FHCFMVUIGZEXLT-GFCCVEGCSA-N 430.291 4.678 30 10 IJEE Cc1cc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1-c1ccncc1 1205761082 BBKKRCZLSFDENA-UHFFFAOYSA-N 427.508 4.835 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl 1222246926 LQBHDNGTOVQVHL-UHFFFAOYSA-N 427.854 4.921 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1224389306 SCGKPVRSPRCAKH-GOTSBHOMSA-N 439.600 4.820 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1230276406 CZMDCFBVYDJUDR-AVRDEDQJSA-N 445.560 4.561 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(-c3cc(OC)ccc3Cl)no2)cc(OC)c1OC 1264831021 GSMOLGFWBWMTEF-UHFFFAOYSA-N 442.899 4.679 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1Cc1nc(C(C)C)cs1 1286432237 BTLZBTTVZWWRDY-UHFFFAOYSA-N 431.609 4.545 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286438913 IGVCVKAXOGBJDN-LNLFQRSKSA-N 427.390 4.912 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cc(C(C)(C)C)no1 1286439143 OZXXTZUPWKROKW-UHFFFAOYSA-N 448.390 4.562 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(C)C)C1 1286496602 GXKLMXVDGYTSBT-QGZVFWFLSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](OC)[C@H](C)CC 1286518974 OHSKBTOEXPOOBN-YVXPOVKHSA-N 428.552 4.610 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2cc(OC)c(OC)cc2C)nnc1C(C)(C)C 1286565068 IQQSPMMOGMJMSV-PGRDOPGGSA-N 442.604 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@H](c1cccs1)N(C)C 1286578946 KWKMRHISVLBLKL-HXUWFJFHSA-N 427.593 4.775 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1286648323 NXIQGVILCPNCLR-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1286659279 NGBTUDFRFVZGOL-OALUTQOASA-N 443.586 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](COC)C1 1286668974 YDYVQJBDIGMMPW-HKUYNNGSSA-N 444.645 4.585 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 1286677601 GAATYFAHMFRISC-XMMPIXPASA-N 449.643 4.990 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1Cc1c(C)nn(C)c1C)C1CC1 1286739809 PMJZJMAJGMUYKY-UHFFFAOYSA-N 443.020 4.777 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](N2CCCCC2)C1 1286776493 BUAAQWFGVMASJE-NRFANRHFSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](F)(C#N)C1 1286826542 KWRLSCGBWGOFDA-NRFANRHFSA-N 431.606 4.637 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 1288364077 HDPBRSZBKIUAEU-GOSISDBHSA-N 437.525 4.702 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)CCO1 1291016083 AMDIBPXZKWNESX-MSOLQXFVSA-N 427.980 4.934 30 10 IJEE Cc1occc1C(=O)NCC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1299464656 CXKQWIZHAALGAZ-UHFFFAOYSA-N 425.897 4.633 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C(C)(C)C)no1 1300275665 YDQCRURRBASZCB-HZPDHXFCSA-N 441.963 4.863 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1300347660 GEZYTWQHPQAEJN-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300393740 KDVFUFDEDYMBHC-LJQANCHMSA-N 445.405 4.905 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCOC1CCCCCC1 1300657323 WVPIRVUVTXVRBF-UHFFFAOYSA-N 436.556 4.517 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(C(C)(C)C)CC1 1300741055 LDOCVJZCDOVRTK-UHFFFAOYSA-N 448.434 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nc(C)c(C)s1 1300901749 SAGPCADDIHYEKL-UHFFFAOYSA-N 433.585 4.859 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@]2(CCCOC2)C1 1301018122 VHAZWSITWVSUJS-WMZHIEFXSA-N 430.980 4.794 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1301055656 PVWVUQPNAHRQOA-GOSISDBHSA-N 448.995 4.792 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@@H](C)C2)CC1 1301065597 HJAXBFDZYCCKRI-WOJBJXKFSA-N 444.023 4.960 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)c2ncc(C)s2)CC1 1301129878 FMECIYZXQAWWEW-GOSISDBHSA-N 437.613 4.871 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1301136020 XLXGRUFPTKMZAB-NRFANRHFSA-N 446.064 4.966 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@H]2CCCO2)CC1 1301143257 GODJKWHZYMKPAS-LJQANCHMSA-N 429.996 4.991 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H]1CCSC1(C)C 1301340565 IRNFAOWUQAVBPI-QFIPXVFZSA-N 444.608 4.936 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1303063193 CSLWAADZZKGEDY-BVAGGSTKSA-N 446.599 4.788 30 10 IJEE C=CCNC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 1307269995 MQXTZFVBMDEMEK-UHFFFAOYSA-N 427.957 4.986 30 10 IJEE C=CCN1C(=O)c2ccc(-c3nnc(-c4cc(-c5ccco5)nc5ccccc45)o3)cc2C1=O 1327398562 IOPLHRFTAVXAJP-UHFFFAOYSA-N 448.438 4.994 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1348777081 VJMCEILMZBTVQD-LJQANCHMSA-N 425.381 4.643 30 10 IJEE COc1ccc(NC(=O)c2ccc(Br)cc2C#N)cc1OCc1cccnc1 1356065111 BGQZWQHDISPURL-UHFFFAOYSA-N 438.281 4.556 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)cc1 1356332875 ZYCBGXGBYQTODQ-UHFFFAOYSA-N 431.458 4.831 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C(C)(C)C)cs1 1359013620 GLLHVYSDWQPBOP-UHFFFAOYSA-N 444.004 4.772 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CC1CCC(F)(F)CC1 1359016100 PKUFWHQLIVRWNH-UHFFFAOYSA-N 439.485 4.945 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CC)Cc1ccc2c(c1)OCO2 1359098764 FREPBMRLOQLXIK-CVDCTZTESA-N 440.588 4.603 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](COCC)C1 1359118855 HWYUKLMJPSQVRU-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](CC(C)C)C1 1359144244 CFTACMQTGXQZSW-INIZCTEOSA-N 434.968 4.596 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1359154884 GDUKICLMBXXCIN-IBGZPJMESA-N 432.012 4.572 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(COCCOCC)c2C)CCCN1C(=O)OC(C)(C)C 1435287874 UCFVWLGIFQOAPB-RUZDIDTESA-N 446.588 4.832 30 10 IJEE C=CCCn1cc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nn1 1440439868 UKUPETHAMTURKN-UHFFFAOYSA-N 446.942 4.633 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)c2ccccc2OCCC)c1 1445391187 MFKIGINEJKWYGP-QHCPKHFHSA-N 441.593 4.790 30 10 IJEE Cc1c(Br)cccc1C[C@@H](CO)CNc1c(Br)cccc1C#N 1458379915 DUMHVBLXRKRNTP-CYBMUJFWSA-N 438.163 4.655 30 10 IJEE CCc1c(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cnn1-c1ccc(Br)cc1 1460980084 CUMZVGMTRGEVQH-NRFANRHFSA-N 449.352 4.876 30 10 IJEE COCCc1noc(-c2cc(Cl)ccc2NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)n1 1465802343 BINDHQWFKXTCHB-CQSZACIVSA-N 439.903 4.675 30 10 IJEE CNC(=O)c1ccc(CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C2CC2)cc1 1466272987 DMCNLVJFWMIXJM-UHFFFAOYSA-N 440.503 4.907 30 10 IJEE C=CC[C@H](CO)CNC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1466522232 HKHHBMJONAXVGA-INIZCTEOSA-N 441.369 4.831 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)sc2C)cc1 1467880114 CUMMFBGVGHVNHH-UHFFFAOYSA-N 429.505 4.624 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 1470490037 XZJNYBRLRKSTLN-SFHVURJKSA-N 446.378 4.648 30 10 IJEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1504375541 CLVCRYVGSQALMM-IAGOWNOFSA-N 433.478 4.987 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOC(C)C 1507522550 HWKZGLSHFIDCBS-AWEZNQCLSA-N 439.785 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1CC(C)(C)C1 1507663082 RTSWIDWMBLWNOU-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(CC)CCOCC1 1507693681 FCLJIWJFMZQVOM-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507702879 XNPBJMVGUCZEDE-MHXAIHSWSA-N 440.563 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C(CC)CC)no1 1507762944 GIRLLCMTKRYUCN-RUZDIDTESA-N 428.540 4.749 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](CCC)OC 1507815769 SQVPHJCQAAENTC-CQSZACIVSA-N 427.412 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CSCCS1 1507822446 WEKUNSVNCJQGEV-LJQANCHMSA-N 432.659 4.725 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCOCC(F)F)CC1 1507880552 KFNRQXBBPQRXOZ-UHFFFAOYSA-N 444.482 4.555 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC=CCO2)CC1 1507896825 LVKMZTRFQDQKOQ-DYESRHJHSA-N 428.964 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC1CC1)C1CCC1 1507911051 GMJJDXKNKIQNNA-UHFFFAOYSA-N 442.629 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1507922723 GSSVTFXGHIMALH-QFIPXVFZSA-N 435.547 4.583 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](OCC=C)C1 1507943976 KLGJGYKJRPYTFJ-MRXNPFEDSA-N 435.341 4.594 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1507961694 CQLVVKYKQSHCAU-HSZRJFAPSA-N 433.556 4.591 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@](C)(O)C1CCCCC1 1508001573 VOJWBILZWNMACY-BVAGGSTKSA-N 449.599 4.525 30 10 IJEE Cc1nc(SC2CCCC2)sc1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1521101377 BWSQTYULRWHLEY-UHFFFAOYSA-N 441.622 4.970 30 10 IJEE C=CCC[C@@H](C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccccc1 1523502872 XHWHYLGRMDFLCD-HSZRJFAPSA-N 438.593 4.500 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@]2(C)C(C)C)c1 1524796873 BDVSLTLORHEFTM-JTHBVZDNSA-N 447.000 4.886 30 10 IJEE C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)NCC(C)(C)CC#N 1524952928 DBTDFPCKGGDUSN-CQSZACIVSA-N 440.594 4.742 30 10 IJEE C=CCc1cc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC 1533040312 IKRSTFPIHGFRAY-UHFFFAOYSA-N 440.540 4.752 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(N(CC)CC)nc1 1538970294 BUMMCYIVHGTNIM-NZQKXSOJSA-N 430.600 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc2c(n1)CCCC2 1538970593 CUPKKCPZOHLVBP-CTNGQTDRSA-N 443.595 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1cscc1C(F)(F)F 1539032487 XFDXWNSDXJYBOB-ZDUSSCGKSA-N 438.450 4.583 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCC[C@H](C)C1 1539149577 YRHPVFIREWCWGX-PMACEKPBSA-N 444.023 4.653 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1539382807 SLTCOVDSZNUPRQ-QPPBQGQZSA-N 438.616 4.720 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CC[C@H](OCC)C(C)C 1539552483 RBLVGWZVOBAHMG-JYFHCDHNSA-N 433.600 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCc1sc(C)nc1C 1539566459 KXPVYLNESJFPSV-RUZDIDTESA-N 449.624 4.782 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(Cc2ccccc2F)CC2CC2)nnc1-c1ccco1 1539588454 NSIILSVMJMQMDD-UHFFFAOYSA-N 440.544 4.784 30 10 IJEE CCc1cc(Br)cc2sc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)nc12 1539639789 FDDFWJDPUVGCBV-NSHDSACASA-N 430.327 4.899 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N(CC)CC)CC1 1539828323 HUYVBEGNSIVMKE-RTBURBONSA-N 432.012 4.958 30 10 IJEE O=C(Cn1nc(C(F)F)cc1C(F)F)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 1539885810 IDQWTTMEZZUTDR-HNNXBMFYSA-N 439.331 4.924 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1oc2ccccc2c1C 1539947035 HJYNTMLTRUTHJB-UHFFFAOYSA-N 435.572 4.800 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1540013964 FENMHRCNZPGCMM-HXUWFJFHSA-N 435.597 4.898 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC1(C)CCOCC1 1540121661 LSURPZSWOHIAOW-UHFFFAOYSA-N 431.540 4.728 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cn2ccc3ccccc32)n1CC(F)(F)F 1540186410 BYTGDCSEIMYTFD-UHFFFAOYSA-N 429.446 4.672 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)c2nc(C)cs2)C1 1540887873 FSOWTVPIDDGRDW-NVXWUHKLSA-N 444.004 4.948 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCc2oncc2C1 1540909806 PTITWUIOKOPSRU-GOSISDBHSA-N 439.585 4.505 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1540911165 OFSVOUWCWXGMFD-OAQYLSRUSA-N 443.661 4.714 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1Cc2ccccc2O[C@H](C)C1 1540911725 ZZDMGJUTVGJMTR-MRXNPFEDSA-N 441.988 4.700 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1)C1CCCCC1 1552754786 DKNGJQKADJIMIQ-JOCHJYFZSA-N 441.023 4.849 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)c1nc(C)nc2sc(C(=O)OCC)c(C)c12 1559187576 AQNWEIHYNBPZRG-UHFFFAOYSA-N 427.574 4.845 30 10 IJEE Cc1cc(NC(=O)[C@H](C)Sc2nc3c(c(C)c2C#N)CCC3)ccc1Br 1559341829 DWLPJGWWJXYGRU-ZDUSSCGKSA-N 430.371 4.941 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCCN1CCCC 1563949305 BISXADPVWWPTJZ-LJQANCHMSA-N 440.401 4.940 30 10 IJEE C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN1CCOCC1 1565535455 NEHOOTOVVLNUDJ-KCQQGECQSA-N 429.601 4.996 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1scc(Br)c1Br 1587193831 NIMQHNQZFWUPBS-UHFFFAOYSA-N 433.096 4.677 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1589742301 JBSORBDHUZSLNA-HKUYNNGSSA-N 431.378 4.597 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1594600324 REBDLQUFLRGVPZ-UHFFFAOYSA-N 448.493 4.699 30 10 IJEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)(CC)C1 1594733352 RKRQLIZUZLWTDV-LJQANCHMSA-N 447.624 4.569 30 10 IJEE C=CCSCCn1c(COCC)nnc1N1CCC(c2nc3ccccc3s2)CC1 1595901111 PUNRQFZUEOCGAJ-UHFFFAOYSA-N 443.642 4.728 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2ccc(OCC#N)cc2)c2ccccc21 1611329704 FRMFBKADAKPTKY-LJQANCHMSA-N 435.524 4.524 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2CCCCO2)c1 1611916763 GFEYQDCKMUVRAT-SFTDATJTSA-N 425.577 4.562 30 10 IJEE C=CCn1c(SCCn2cc(Cl)cn2)nc2cc(-c3ccccc3)sc2c1=O 1613380819 QWOFPCQMMFCHCD-UHFFFAOYSA-N 428.970 4.953 30 10 IJEE C=CC#C[C@]1(O)c2c(OC)cc(OC)cc2O[C@@]1(Cc1ccccc1)c1ccc(OC)cc1 1615946068 APVVLJFCFCAUDP-NSOVKSMOSA-N 442.511 4.620 30 10 IJEE C[C@@H]1N=C(SCc2cccc(C#N)c2)N2[C@H](C)N=C(SCc3cccc(C#N)c3)N12 1615951692 VIPXNDHQZJPTJV-HZPDHXFCSA-N 432.578 4.547 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C(C)C 1618244134 FNHOCIAAQCMTSG-MUEKUWCCSA-N 432.564 4.714 30 10 IJEE CC(=O)c1ccc(OS(=O)(=O)c2c(C#N)sc3ccccc23)c(Br)c1 1622319876 CQZBQPUHXHUSOW-UHFFFAOYSA-N 436.308 4.506 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 1623821699 NIRFQAGHIBLXHI-UHFFFAOYSA-N 435.911 4.983 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](c1c(F)cccc1F)N(C)C 1628203159 NHISYTZKTJIFLH-QGZVFWFLSA-N 428.401 4.581 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1628844364 LFMRMGXDCFFXLR-IFMALSPDSA-N 439.650 4.767 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)C 1628845099 VYYLZXCCBBXQHY-SFTDATJTSA-N 427.639 4.526 30 10 IJEE Cc1nnc(COc2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)cc2)o1 1632893530 HQPDXXPNIJEESS-UHFFFAOYSA-N 440.459 4.660 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(F)cc1Br 1634693523 YMQFFAWANYREJI-HNNXBMFYSA-N 449.748 4.583 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H](C)c3ccccc3Br)n[nH]2)c1C 1636946570 DPKKHXJWSDBHME-AWEZNQCLSA-N 442.361 4.672 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@H](C)C3(CCC3)C2)nnc1-c1ccc(Cl)cc1 1637327702 APCUYHOFJANKGS-MRXNPFEDSA-N 431.005 4.915 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1637848458 SRQQWPOICNVTCB-ILBGXUMGSA-N 428.532 4.557 30 10 IJEE Cc1cc2c(NC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)n[nH]c2cc1C#N 1639802741 BTHVSODKCJNXTR-HXUWFJFHSA-N 447.539 4.974 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 1644776826 RWTZNVJMMXUXHK-PWWKTKHKSA-N 437.653 4.638 30 10 IJEE CCC1(CC)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1653301932 HLQBTFHYHWCQNR-HXUWFJFHSA-N 440.632 4.648 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CC[C@H](O)CC(C)(C)C3)c2C#N)C1 1654457782 BDTYXYQSILOSPD-IRXDYDNUSA-N 431.646 4.582 30 10 IJEE CCOc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)c2cccc(Cl)c2)cc1 1654693135 FCBJVTUERXTHLF-JOCHJYFZSA-N 444.915 4.817 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)OC)c1ccc(Cl)cc1 1656340476 LMISMSGEBWGVAJ-IBGZPJMESA-N 429.929 4.703 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ncc(Br)s2)cc1OC 1656829205 QJAUKGFNGFZMRI-UHFFFAOYSA-N 448.180 4.531 30 10 IJEE N#CCc1ccc(OC[C@@H](O)CNC2(c3ccc(Br)cc3)CCCCC2)cc1 1659398003 IFDIYWUHDKWVPQ-NRFANRHFSA-N 443.385 4.704 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CCCC1 1666529746 MQLDGGIJXLOMBA-UHFFFAOYSA-N 441.597 4.765 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCn3c(Cc4ccccc4Cl)nnc3C2)c1 1666773074 DLKPEWXTWVEGKT-UHFFFAOYSA-N 437.931 4.525 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](CC)Oc2cccc(C(F)(F)F)c2)cc1 1668209795 ARZDXOCRAMVOCM-GOSISDBHSA-N 435.446 4.600 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 1675023281 JNWUDMBPXROYGQ-KRWDZBQOSA-N 449.345 4.999 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1nc2c(OC)cc(Br)cc2s1 1675442402 WMYYFQVXAWRMOG-UHFFFAOYSA-N 448.342 4.954 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2cccc(F)n2)CC1)c1ccc(C(F)(F)F)cc1 1680632343 CDELBVUGLBWXDX-GOSISDBHSA-N 436.453 4.779 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1681783175 FKTVYYPHMQZGEC-SFYKDHMMSA-N 435.515 4.813 30 10 IJEE C#CCOc1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 1682560530 VFOXSDFWUDDCAR-MZLICYQSSA-N 448.563 4.964 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 1682689851 HLTLUQPKSLAJSP-LEWJYISDSA-N 427.589 4.795 30 10 IJEE C#C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1ccc(Br)cc1 1683508725 YZOLNOBTYMNHET-FQEVSTJZSA-N 448.792 4.550 30 10 IJEE C#CCCCn1c(N2CCC[C@H]2c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689941821 VLLOLHYWZJFWBJ-BDTNDASRSA-N 449.599 4.804 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1ccsc1 1690065326 SXRLWZMRVICUDB-UHFFFAOYSA-N 429.387 4.780 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCN(CC)C1 1690065490 ZMBPMDXWARYJQF-SFHVURJKSA-N 437.588 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]1C 1690238211 GVCDHUGGTQQGMB-GJPOJAMWSA-N 440.588 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCC[C@H](C)C1 1690257719 RPHCOTALRUFFBI-SFTDATJTSA-N 447.631 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1([S@@](C)=O)CCC1 1690258665 OWPGYHWFAFCQLS-BJLXPSRBSA-N 446.686 4.835 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1690316457 FZTVZFATXGROAQ-HXUWFJFHSA-N 426.561 4.656 30 10 IJEE C=CC[C@@H](Cn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 1690447180 LKHALZMFFFFPOW-UNMCSNQZSA-N 438.616 4.710 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1690467972 OADKCLIATQPZDM-UHFFFAOYSA-N 428.577 4.616 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc(C)c2)CC1 1690496708 VYLBMMFHSFBJFN-DHIUTWEWSA-N 437.632 4.798 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H]1C 1690510700 CHKSAZIHSYOVBK-HNNXBMFYSA-N 425.360 4.745 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@H]1OC 1690553955 OAPPXRPMZHVZRP-UNMCSNQZSA-N 436.556 4.863 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](SC)C(C)(C)C 1690624357 OTUCCNDXXSHWKX-GUDVDZBRSA-N 438.682 4.613 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1cc(Br)cs1 1690646731 FRNWWOSJWOYIGY-UHFFFAOYSA-N 447.402 4.718 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(C)(C)C)C1 1690651385 PSSBUMSZOFQVNQ-KRWDZBQOSA-N 425.360 4.601 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1690736339 AUJWGWCOHNLNEA-OAQYLSRUSA-N 449.580 4.817 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC1(CCOC)CCCCC1 1705500434 NBEHBBAPMFULRL-NRFANRHFSA-N 433.600 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CN(C)C(C)C)CC1 1705705229 FGTNNEWPHXJBPF-NOZRDPDXSA-N 443.680 4.549 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCC=C(Br)C1 1705758887 DMLNOCKIZGPQLP-UHFFFAOYSA-N 437.769 4.661 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)SC)CC1 1705781970 LPDORMHGWRFRHK-PKOBYXMFSA-N 449.665 4.547 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1705808592 RWTHUXGJNRQXEH-OAQYLSRUSA-N 441.664 4.842 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCN2CCCC[C@H]2C1 1705809071 HGIRUXPCGZBUDC-FQEVSTJZSA-N 441.645 4.610 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN1CCC 1705867469 OHOKFRLQAVEHSC-PZJWPPBQSA-N 429.634 4.648 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC(C)(C)C1 1708233782 BJWKXNOUUXRCDR-UYAOXDASSA-N 439.629 4.744 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCCC1(F)F 1712441872 CUVWREWKOHMPNH-HXUWFJFHSA-N 445.558 4.926 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)c1ccccn1 1722283064 TZAZAIIYUYBAKZ-CQSZACIVSA-N 444.402 4.600 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1722340803 IQOPERHQNHZXSY-BURNTYAHSA-N 441.620 4.778 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1ccccc1 1722379925 QRRFGQYJIUZOKX-HXUWFJFHSA-N 428.605 4.837 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1722459767 QRMRSDCRBCECDV-JOCHJYFZSA-N 438.641 4.753 30 10 IJEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(Cc1ccco1)Cc1cccs1 1722460585 YODXTLFRFIPNOJ-HXUWFJFHSA-N 442.610 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1Cc1ccsc1 1722468233 LUKWEPXIPRBNNL-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1722469493 FQGKDOBICDVCEE-VHFRWLAGSA-N 444.627 4.567 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)CC1CCCC1 1722486908 GKRDBWUAAZFFJB-UHFFFAOYSA-N 433.394 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCCCC1 1722494260 BSUQPTNHYKNXER-REWPJTCUSA-N 440.588 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCCSC 1722508600 JSXATAYTNCSIJL-MBSDFSHPSA-N 439.629 4.521 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC=C(C(C)(C)C)CC1 1722530820 JYOHDYKFGSJFIF-UHFFFAOYSA-N 440.588 4.738 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722604530 CVVRQAVWIKVVAC-HSZRJFAPSA-N 447.631 4.659 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1722612902 MYOLFYNNOFTHTL-UHFFFAOYSA-N 432.616 4.875 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](c1c(F)cccc1F)N(C)C)C1CC1 1722646764 WERAFNUHESNQGU-LJQANCHMSA-N 427.499 4.582 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCCCC1 1722659553 YANUIGGKHYRIMX-UHFFFAOYSA-N 436.579 4.869 30 10 IJEE C=CCSCCn1c(N2CCO[C@@H](c3ccc(Cl)s3)C2)nnc1C(C)(C)C 1722739770 LXZXRCHPBNDIMK-CQSZACIVSA-N 427.039 4.788 30 10 IJEE CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCN1CCCC[C@H]1C 1723281575 FFMIKJOQMZLMSY-JOCHJYFZSA-N 446.643 4.906 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C)n2)C1 1731110133 CJZHKPKOZFIFPP-FQEVSTJZSA-N 438.626 4.546 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1740535370 QBHMGPLKDGLYQW-HUXRQEAXSA-N 442.991 4.735 30 10 IJEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1CCC(C(F)(F)F)CC1 1740606942 YEEPFHVALPKCCE-UHFFFAOYSA-N 429.490 4.875 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)CC 1740679835 KWKQRKYNCFPPSK-UHFFFAOYSA-N 437.613 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccncc1Cl 1740770021 CSFDZCPHJQSNGG-UHFFFAOYSA-N 441.963 4.852 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740794147 QPTKOFKBKHRNNZ-OAQYLSRUSA-N 430.543 4.642 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740815993 RCDMVDLDAWUXQU-WBVHZDCISA-N 438.428 4.649 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1740878626 PVPZBDOPFLNIDS-NRFANRHFSA-N 434.588 4.920 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccsc1 1740882412 KNABVGHOQIRUDJ-GOSISDBHSA-N 429.977 4.989 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1740912046 PFVGYVWBZJSONT-LJQANCHMSA-N 428.024 4.798 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCSCC 1748774961 AHEVAQCJIHBRAT-UHFFFAOYSA-N 427.799 4.574 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](c1ccccc1)N(C)C 1748775384 KOSQVOJMELUGJX-RXVVDRJESA-N 433.625 4.504 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CC1CCCCC1 1748868800 JAQCAKCPAGYGTL-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCCSc1nccs1 1748876297 ARQMAHBLJDSEAF-UHFFFAOYSA-N 435.622 4.609 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCOC1CCCCCC1 1748907593 LVAVBKRYWYMFPZ-LJQANCHMSA-N 428.552 4.756 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H]1CC 1749216578 QLKXMCUKLOJOAO-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1749251573 GZKRLJKBUWMQAU-FHWLQOOXSA-N 448.970 4.953 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN(CC)CCC)CC1 1749293463 NYJPGKHRAYOQDP-UHFFFAOYSA-N 446.437 4.904 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2sccc2C)CC1 1749316791 KVLKRVORGFAOEK-SFHVURJKSA-N 443.617 4.925 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnn(CC)c1 1749415334 MXKJMPCTGSRBST-UHFFFAOYSA-N 429.366 4.527 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](COC)C1 1749745651 CODCSCBGGJRNMT-ZWKOTPCHSA-N 446.686 4.913 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1760106731 NJWYCUKQEYPQQX-DLBZAZTESA-N 431.987 4.706 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCN1C1CC1 1760122689 QGTNROHJPPVUMC-FYYLOGMGSA-N 449.643 4.764 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)CCC(C)C 1760228582 KURGYSPAPKZCFF-JOCHJYFZSA-N 447.421 4.663 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1Cc1nccs1 1760341116 ZXEMMYFPOQQHHP-UHFFFAOYSA-N 448.390 4.527 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1760390853 MZUVYDJKJRLTRP-OAQYLSRUSA-N 428.024 4.799 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760424106 WCFGUYRWRZBXSQ-HXUWFJFHSA-N 446.599 4.543 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1760443774 LZZZTWGRFDAZPM-GOSISDBHSA-N 444.008 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H](C)c1nccs1 1760482834 SLIFXWFETKJZNR-IBGZPJMESA-N 430.581 4.717 30 10 IJEE CCOC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1767497570 CXHYWBSQXCXFFO-FQEVSTJZSA-N 435.906 4.529 30 10 IJEE COCC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCC1 1769174012 FHLYPNIGZRYFDZ-UHFFFAOYSA-N 425.577 4.562 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861214868 KAOJNGURRRBFAD-LADGPHEKSA-N 445.623 4.505 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1F 1862412803 NNVGFXXEGWAKIT-QFIPXVFZSA-N 437.417 4.925 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 1862505228 MIAFLCVDMLUMBZ-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2C(=O)O)cc1 1862533120 GSVXKNMHSUAYTD-HSZRJFAPSA-N 441.483 4.726 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2Cl)c1 1862561662 WGHDHLKDHHZRGQ-JOCHJYFZSA-N 448.906 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 1862625978 RGZPWILRIJMMHV-HSZRJFAPSA-N 447.487 4.590 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2ccc(C)cc2)c1 1862673445 LRCICVKUZDPRSA-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCC2)cc(Cl)c1O 1862680477 CKXGZWHZRHUBJQ-LJQANCHMSA-N 445.874 4.714 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1Cc1ccccc1 1862747563 RYZOVNBDWSIQTP-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3Cl)C2=O)cc1 1862947192 AWNFNKLDWHGNDN-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(N[C@@H]2CCCC[C@@H]2C)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706910 RCZCFGCXLLCZOI-WMZHIEFXSA-N 430.548 4.700 30 10 IJEE CCCCCCCOc1cn(CCCCCCO)c(CSc2nccn2C)cc1=O 1870259851 LVYFHUXWQBQNLN-UHFFFAOYSA-N 435.634 4.776 30 10 IJEE CCCCCCCCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CN(C)CCO 1870465185 PGKGGMROKRDRRV-UHFFFAOYSA-N 428.617 4.774 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1871789514 APRRFLJOAUQVPH-IBGZPJMESA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872055726 DSGZJQGNDFLLHO-QHCPKHFHSA-N 446.588 4.981 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1872061011 XUDFHBAJOUHEPP-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)S(=O)(=O)CCCC 1872562207 MCGBYGAYDOTFER-QHCPKHFHSA-N 428.598 4.991 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872773678 USNAWZWBXPMTLA-LBPRGKRZSA-N 427.825 4.590 30 10 IJEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874270674 JFOVSNVXIGIHQZ-MFKUBSTISA-N 448.548 4.739 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1 1874286526 LHFOZPDJZSZVQN-PXLXIMEGSA-N 431.562 4.617 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2cccnc2)cc1 1874304539 FNGKUNFJBHBCJJ-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE C=CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1OC 1874342821 KPIAGBWCLWUJSU-OEAKJJBVSA-N 428.945 4.700 30 10 IJEE OCCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1c(F)cccc1Cl 1874343515 VEHRNPYLTVCPNR-FSJBWODESA-N 439.343 4.672 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 1901740677 CWDLUKHKVAPDNN-MDAWKPQNSA-N 435.487 4.904 30 10 IJEE C#CCC1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC1 1965397762 CWGSUKQTZZQRQD-SANMLTNESA-N 444.575 4.812 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)Cc3ccc(Br)cc3Cl)C2)OC1(C)C 1965480090 IRJCAEXNJCLYET-AWEZNQCLSA-N 442.590 4.730 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1C#N 2010542413 DLXSJDSHOAJKJM-YWZLYKJASA-N 443.931 4.649 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(C)c1 2079873654 SKTTYRNQILJYEA-LJQANCHMSA-N 447.320 4.943 30 10 IJEE CC[C@@H]1CN(c2cc(Br)cc(F)c2C#N)CC[C@H]1NC(=O)OC(C)(C)C 2118195498 WNGHEMHZTMHWIW-MLGOLLRUSA-N 426.330 4.589 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 2159127663 IXFJHBKOHRHIHI-MSOLQXFVSA-N 441.385 4.806 30 10 IJEE C[C@@H]1CCCN(c2ccc(C#N)c(Br)c2F)[C@@H]1CCNC(=O)OC(C)(C)C 2174766290 VQRBQDMILRKROI-UKRRQHHQSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181142751 ZUPWWCFLHYYWCC-KRWDZBQOSA-N 436.350 4.829 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1CCC 2224264029 YBJKPSRJNWAHRS-PBHICJAKSA-N 429.403 4.566 30 10 IJEE N[C@@H](C#Cc1cccc(Cl)c1)c1cc(I)ccc1Br 2231087709 KQEIYAGRJLYFCZ-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@@H](O)C#Cc2ccccc2Br)C1 2235740195 NFCCUGHJSMPATH-HKUYNNGSSA-N 434.374 4.589 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H]1CC2(CCCC2)CCN1C(=O)OC(C)(C)C 2237004350 SHIYVJPSLHPMIB-QGZVFWFLSA-N 441.410 4.870 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267552582 HYQLTASMXJLYGF-HDICACEKSA-N 444.381 4.565 30 10 IJEE CC(C)(C)OC(=O)NC1(c2cccc(NC(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)c2)CC1 2267581251 OYUKUNWBZLMLHM-QZTJIDSGSA-N 442.365 4.621 30 10 IJEE CN[C@H](CC#CC1CCCC1)c1cc(Br)ccc1I 2274131902 XOOWEDPBOPHQLM-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE C=CCCC1([C@H](N)Cc2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2281042506 SHCWWIZVCOIMRW-GOSISDBHSA-N 439.394 4.531 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296280203 XVXYMBLKFGXJOE-QYZOEREBSA-N 435.406 4.718 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 2296286280 JQCJJZGZNCELAD-COFLGROHSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(NC(=O)OC(C)(C)C)CC(C)(C)C1 2296292399 YAJQPUKTZDVVHP-GOSISDBHSA-N 435.406 4.862 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)c(OC)c1 2296924048 ONROONPVUBWOCT-QHCPKHFHSA-N 429.472 4.639 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccs3)ccc2O1 2297742393 JOPBGYFRAMTGQV-HJPURHCSSA-N 445.540 4.736 30 10 IJEE C#C[C@@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC(C)(C)C[C@@H]1OCc1ccccc1 2300080713 RIQZIVNLROPJCC-BKMJKUGQSA-N 426.601 4.707 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2305401649 YNWYKXFYKXEIPG-AMDXRBSFSA-N 428.573 4.555 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2306618715 VZGGHRXTFBEHHX-RUZDIDTESA-N 428.573 4.842 30 10 IJEE O=C1CCCC2=C1[C@@H](C=Cc1ccccc1)N1NC(SCc3ccccc3F)=NC1=N2 2314815609 RYTAPMBKDZDEDP-HXUWFJFHSA-N 432.524 4.694 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2C2CCC2)ccc1OCc1ccccc1F 2321901788 ZFDIYIKLXNQGGC-UHFFFAOYSA-N 426.517 4.833 30 10 IJEE CCc1ccc(C=C2Oc3c(ccc4c3CN(CCCCN3CCCC3)CO4)C2=O)cc1 2322118962 MPVTUGJDROQEDP-UHFFFAOYSA-N 432.564 4.893 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC)C3=O 2322122769 RMQRRLWOJYBDBB-UHFFFAOYSA-N 436.552 4.585 30 10 IJEE COc1cccc(C=CC(=O)c2cccc(Br)c2)c1OCC(=O)OCC(C)C 2322466379 SVLTXSXMEGHAON-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE CCOc1cc(C=NNc2nc(O)cc(CC)n2)ccc1OCc1ccccc1Cl 2323231824 SCUNSVRUUYMOSK-UHFFFAOYSA-N 426.904 4.822 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)c1 2324825998 YOOPEXDHOCYUAD-MRXNPFEDSA-N 431.444 4.813 30 10 IJEE O=C(C=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2325571965 JTBKZZUEAYXVPP-UHFFFAOYSA-N 449.384 4.702 30 10 IJEE Cc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2325628010 VDWMPVZXKLNIQU-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)c1 2325706722 MUPKHSRSIBQPMX-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SC)cc1OC 2327601422 ATOIRCVINJWLCH-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(N(C)C)cc1 2327674462 LHHJFSRTDWPUPK-UHFFFAOYSA-N 429.977 4.961 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccco1 2328243750 LCHIXRJMRRZZHZ-UHFFFAOYSA-N 438.484 4.772 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 2330935684 CPNGLJRPFVQVKW-LJQANCHMSA-N 445.855 4.627 30 10 IJEE CCCCc1nnc(SC)n1N=Cc1cc(Br)c(OCCC)c(OC)c1 2331313322 DDZGSAHWBSUQSZ-UHFFFAOYSA-N 441.395 4.785 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(F)cc1 2331352317 GYIRQYUUUVTNHO-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)CCc1ccccc1 2331408192 GUVSBRKSQALRQW-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1F 2331468163 GPGOQCFKHMEKAX-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE CCOc1c(C=Nn2c(COC)nnc2SCc2ccc(Cl)cc2)cccc1OC 2331595804 URAGQBYVFWRDHL-UHFFFAOYSA-N 446.960 4.660 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1Cl 2332188638 HPLQEBFQELITNF-UHFFFAOYSA-N 435.915 4.750 30 10 IJEE C[C@@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339594500 VPISRLKPNLSBIC-RIBQSRIRSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)C#Cc3cccc(Br)c3)C[C@@H]21 2360196770 XGLCEBXUODZXSB-BZDHPDOMSA-N 430.342 4.548 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2360197918 YMMGDYKIQRJVHJ-HOJAQTOUSA-N 435.406 4.862 30 10 IJEE N#Cc1ccc(OCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)cc1 9561725 QLFZWAUCSFNVLC-PJFBIYSNSA-N 427.460 4.946 30 10 IJEE COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc(OC)c1O 21219637 QRTCPODZPQRLIL-QFBILLFUSA-N 449.547 4.711 30 10 IJEE CC(=O)Oc1ccc(/C(C)=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 33749004 SSKGBBFVZUMLCS-USHMODERSA-N 425.532 4.724 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1ccccc1 59020148 LNBPYPJNWGSGPS-KSEXSDGBSA-N 435.340 4.678 30 10 IJEE COc1cc(OC)cc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccccc2)c1 66437615 UKSWFFYUXHDMTQ-UHFFFAOYSA-N 442.519 4.626 30 10 IJEE O=C1/C(=C\NCc2ccc(Cl)cc2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 105336141 MBMBGQMVSBIUON-CPNJWEJPSA-N 444.965 4.565 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2O)cc1 169923887 MZDQLABRDDIUTL-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 169929082 JODPOOSBRVCPDR-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2OC)cc1 169948341 OCXOVDDDDUWWML-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 169955742 JTIIHJGTVVGJIZ-QFIPXVFZSA-N 447.922 4.580 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1OC(C)C 169976483 YLAOEHUBDWJXTA-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(OCC(C)C)cc2)cc1 169990230 FZPHDHOIECJEPC-HSZRJFAPSA-N 437.536 4.509 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2F)cc1 170069612 KYWZZTGBDSXMLB-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170077326 OKCARQBIUAZORV-DEOSSOPVSA-N 448.482 4.823 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)cc1C 170131407 QETJRBSXOBQADR-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccnc1)c1c[nH]c2ccccc12 170184329 IHVZTOLNANWJIN-NRFANRHFSA-N 431.398 4.624 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccncc1)c1ccc(Cl)cc1 170207085 CUKDPUAHMTWWCQ-IBGZPJMESA-N 426.806 4.796 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(O)c(Cl)c1 170219854 XPLSMUKWTVROAY-ZSEKCTLFSA-N 441.911 4.747 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccccc3F)ccc2O1 170247024 BZQOXJLDAVFOBX-RCDICMHDSA-N 449.503 4.989 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 170252211 QKFFPNZVBDRWBF-HSZRJFAPSA-N 432.495 4.509 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3cccc(O)c3)ccc2O1 170258291 LLCPWXXFUOIIDI-PSLXWICFSA-N 445.446 4.638 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccccc1C 170275841 LJXHKOFRSHHGMR-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE CCOc1cc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)ccc1OC 252634803 WQZHSECHRWWCDY-ZOAXWHFDSA-N 440.521 4.504 30 10 IJEE CCOc1ccc(Oc2c(C=NNC(=S)NC(C)C)c(C)nn2-c2ccccc2)cc1 254624552 JTMYWNVETSLBCQ-UHFFFAOYSA-N 437.569 4.578 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1Sc1ncnc2ccc(Br)cc12 261432119 TYKLVBRLIUQNHS-UHFFFAOYSA-N 438.354 4.912 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)C(Cc3ccccc3)Cc3ccccc3)CC2)nc1 409893954 ZRTSCLZVWXFPOG-UHFFFAOYSA-N 439.559 4.861 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 439238522 QNZOHEPBNCZBCD-INIZCTEOSA-N 446.511 4.683 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(C)c2ccccc2C1 460568923 ZYDXIFQEGNQRBD-UPVQGACJSA-N 429.568 4.556 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 505649906 TWVUMNNHZLLFGV-HSZRJFAPSA-N 433.939 4.892 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cc(OC)ccc2OC)c1 526605900 GFYFFCMUYGPIAC-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526816729 LUTFBVBZBYLNRK-NHDPSOOVSA-N 431.905 4.672 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2OC)cc1 562143438 YGHXNJOCPVWDCY-UHFFFAOYSA-N 437.540 4.598 30 10 IJEE N#Cc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586135227 ZTPIGGXPNDYNDM-UHFFFAOYSA-N 432.332 4.651 30 10 IJEE COc1ccc(CN(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)cc1 586168920 IJTKKYWKRQWHEC-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(N(C)C)cc1 586214999 QRPPFEMECKURCB-UHFFFAOYSA-N 449.576 4.645 30 10 IJEE N#CCc1cccc(S(=O)(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1 589930463 GPIYGVSJKONIHG-QHCPKHFHSA-N 440.952 4.642 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 615312671 NICCMNXQYWMUCM-QGZVFWFLSA-N 434.964 4.537 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 738739377 DWMPESPEAXFVIT-UHFFFAOYSA-N 435.789 4.804 30 10 IJEE COc1ccc(NC(=O)[C@H](NCc2ccc(OC)c(C#N)c2)c2ccccc2)cc1Cl 746575477 DGKYWUYUSBYJME-HSZRJFAPSA-N 435.911 4.698 30 10 IJEE CC(=O)N1CCc2sc(-c3csc(=Nc4ccccc4C#N)n3CC(F)F)cc2C1 754806534 ZGLJHMKGCNOGPZ-UHFFFAOYSA-N 444.532 4.552 30 10 IJEE CCCc1cc[n+](/C(C(=S)NCc2ccc(OC)cc2)=C(/O)c2ccc(C#N)cc2)cc1 762438259 LEXSUXUCILSXCK-UHFFFAOYSA-O 444.580 4.808 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc3ccccc3c2)[n+]2cccc(CO)c2)cc1 762440068 JXMGOPFROVTZQN-UHFFFAOYSA-O 438.532 4.815 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H](C)c2c(F)cc(F)cc2F)nnc1-c1ccco1 773086419 BSWZFHNFOUDLRW-LBPRGKRZSA-N 437.443 4.928 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 788960209 DFRDUYBKBAOAFP-KRWDZBQOSA-N 435.524 4.565 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1ccc(Cl)cc1Cl 1084574357 WPXFWHUPELSPGG-LFHQSIDJSA-N 447.351 4.953 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C(C)=O)cc1OC 1127468945 OGEGNKRHISLTRK-UXBLZVDNSA-N 430.298 4.877 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 1129702763 KKMCUMJOACTSAW-HOTGVXAUSA-N 430.298 4.527 30 10 IJEE C[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)C[C@@H](c2ccccc2)C1 1129815546 BWOXKSJARILCIW-SZMVWBNQSA-N 427.342 4.788 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1ccccc1OC(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1155366977 JNHLUMIRNGQDCY-WUKNDPDISA-N 448.510 4.553 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)c1C#N 1166609323 HSLPLVYLQADBNM-UHFFFAOYSA-N 438.553 4.830 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCC[S@](=O)c3ccc(Br)cc3)cc21 1179493949 HNOFIWPFIXJZKE-MHZLTWQESA-N 446.370 4.511 30 10 IJEE Cc1ccc(-n2c(SCc3ccc(C#N)cc3OC(F)F)nnc2N2CCCC2)cc1 1188445498 BGPKKRLCTYXUJA-UHFFFAOYSA-N 441.507 4.941 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@@H]4[C@H](CCCN4C)C3)c2C#N)C1 1191520369 GNBKKRMDWNKXCV-DBXWQHBBSA-N 442.673 4.515 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 1200563049 TYWQFTSKUJLOJH-UHFFFAOYSA-N 442.585 4.961 30 10 IJEE CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 1205941616 CEJDELNOJDGJBM-UHFFFAOYSA-N 433.325 4.888 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c(C#N)cn1CC 1206501883 HQUIHKVETRODGU-GOSISDBHSA-N 440.500 4.668 30 10 IJEE C#CCN(C(=O)Nc1ccnc(SC)c1)[C@H]1CCOc2ccc(Br)cc21 1207766316 CLISVAKEBWWTTC-INIZCTEOSA-N 432.343 4.557 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)c1ccc(Br)cc1 1215500982 KTRCJCCVABPHNH-WZQKQDCOSA-N 445.260 4.573 30 10 IJEE CCC(CC)C(=O)N1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1218058970 AKCUUKVKGOIAFM-UHFFFAOYSA-N 436.581 4.822 30 10 IJEE C#CCN(C(=O)Nc1ccccc1OCCF)[C@H]1CCOc2ccc(Br)cc21 1218411883 ZKOBWJOYUHHFPQ-SFHVURJKSA-N 447.304 4.788 30 10 IJEE Cc1cc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(F)cc1Br 1218944418 GIZBKKSKOBJTOM-UHFFFAOYSA-N 445.336 4.554 30 10 IJEE C#C[C@@H](CC)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 1229532843 VYYBHLUEZXXLPI-AHKZPQOWSA-N 442.559 4.923 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1246654821 RVTNULVMFABTAK-PMACEKPBSA-N 445.485 4.903 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2C=CCCC2)c1 1265972034 IITMSSVNNPFDGT-IBGZPJMESA-N 430.957 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCC[C@@H](C)C1 1286281927 JOEDFRWBGBSZBR-YADHBBJMSA-N 437.632 4.560 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286500704 CEJYUKVZQGYMAE-RBUKOAKNSA-N 433.021 4.605 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C2CC2)C1 1286534351 AYDIZAZODWDVBA-ZBFHGGJFSA-N 435.341 4.702 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO[C@H]1C(C)C 1286571324 OLBPYJQSAMOWKR-KNQAVFIVSA-N 426.561 4.527 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CCC1)c1ccccc1 1286617609 QFDBBCJZKAACMX-UHFFFAOYSA-N 440.389 4.996 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@H]1CCCCO1 1286720315 VUFSEFFMEGTQAX-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cc(C)oc1C 1286743582 LVOLTPNYEHPJJC-AREMUKBSSA-N 443.551 4.650 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCCC1(F)F 1286767233 KUTRWWAWRUERCK-LJQANCHMSA-N 441.526 4.958 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCC(F)(F)C1 1286767485 UGKBQKOJDZBFPF-QGZVFWFLSA-N 427.499 4.568 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1300272244 AFJHNEGDADRUGB-LAUBAEHRSA-N 441.501 4.934 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1csc(C(C)C)n1 1300431247 VSNMEIOCMXMZIK-MRXNPFEDSA-N 444.004 4.964 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H]1CSC 1300742852 CGCRXHDAHMOUOI-SJLPKXTDSA-N 446.711 4.830 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301055173 GJSQTGOHDXEHNT-GOSISDBHSA-N 433.021 4.763 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2ccccn2)CC1 1301095997 SBTUKWJSWCPSAU-UHFFFAOYSA-N 444.366 4.958 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1301120108 HQQBSJUORYWPKY-DNQXCXABSA-N 437.632 4.787 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCc2ccccc21 1301357613 QKWKJHBOFHFEBM-HXUWFJFHSA-N 449.624 4.791 30 10 IJEE CCc1cccc(C)c1Nc1nnc(SCCS(=O)(=O)c2ccc(C#N)cc2)s1 1307279993 AZAQGJHGQOHIRC-UHFFFAOYSA-N 444.607 4.590 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(Br)cc1 1310145521 DUTGMDAXAAIQHO-HXUWFJFHSA-N 440.341 4.618 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 1310835539 RJGHSKZFVSDPJS-UHFFFAOYSA-N 433.911 4.858 30 10 IJEE Cc1ccc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(O[C@H](C)CC(C)C)c1 1312292012 CSMACOOVUOFGNS-RCZVLFRGSA-N 448.611 4.728 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 1351782732 XLAXBUNSACOVNA-UHFFFAOYSA-N 434.902 4.854 30 10 IJEE C=CC[C@@]1(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1352726702 GQMKSTBUJSOAHY-QFIPXVFZSA-N 436.474 4.519 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(I)c(F)c2)c1 1358372023 UQJRSQHVLZFEKT-UHFFFAOYSA-N 445.231 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1359074284 XTEFRTXOOJIIHY-AGILITTLSA-N 442.991 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOC 1359108929 IQAXIKNAYQPILS-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCn2ccnc2C)CC1 1359173311 CCDVMLBHULLFBW-GOSISDBHSA-N 438.551 4.555 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1359201553 RQTMZFWLLRXCMV-QPPBQGQZSA-N 447.631 4.524 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC[C@@H]1C 1359275815 HIBAJGDSVVRXAO-NZQKXSOJSA-N 436.625 4.838 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1359340263 HNHJXYDDPLNDFD-SFHVURJKSA-N 440.642 4.717 30 10 IJEE COc1cc(C#N)ccc1C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 1360506237 ABGMOWLMIIUQLE-UHFFFAOYSA-N 444.466 4.943 30 10 IJEE Cc1nc(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)[C@@H](C)CC#N)sc1C 1360902142 DECUAQLGEURUSJ-KGLIPLIRSA-N 440.642 4.991 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1Br 1434959298 SLTQPHDLEOBZTH-UHFFFAOYSA-N 425.095 4.626 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)cc1 1450611772 ULZNCSCWOXXADB-CVDCTZTESA-N 444.369 4.529 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1ccccc1 1465582165 IPYRAGKBCHVEJZ-DEOSSOPVSA-N 432.568 4.803 30 10 IJEE C#Cc1ccc(NC(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)cc1 1467490878 PAEQJOPOXJRJQE-UHFFFAOYSA-N 427.932 4.880 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@]3(CCSC3)C2)nnc1-c1ccc(Cl)cc1 1468964822 RXOXOFJYSPPYGJ-OAQYLSRUSA-N 449.045 4.622 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2cccc(F)c2)nc2sc3c(c2c1=O)CCCC3 1472931472 NWIYJFVKRIEUNM-CYBMUJFWSA-N 443.569 4.781 30 10 IJEE Cc1cc(C)cc(C2=CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2)c1 1475107354 BPGJEOGGZIYCLW-UHFFFAOYSA-N 449.345 4.555 30 10 IJEE C#CC1(NC(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCCC1 1477236554 JMNLCZPJHOKIHR-OAQYLSRUSA-N 431.536 4.562 30 10 IJEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C#N)CC1 1494869378 DZYOYIBTZISEES-OSPHWJPCSA-N 441.645 4.813 30 10 IJEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1505324786 BYUAPVJETSLLKA-FQEVSTJZSA-N 428.531 4.610 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC=C(Br)C1 1507570996 NOYWICACWRRLGB-UHFFFAOYSA-N 443.389 4.766 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CC(F)F)CC1 1507579043 JSFLYVWPQHYUGF-UHFFFAOYSA-N 449.958 4.614 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CCC 1507701460 HOGQFVDFWOVDHM-QFIPXVFZSA-N 425.596 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N1CCC[C@H](C)C1 1507763564 CZOAAGPJDPNGOD-OFVRDSRKSA-N 433.644 4.933 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCCS2)CC1 1507876640 OZNKQYWCKGCDJN-HXUWFJFHSA-N 425.602 4.589 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](OC)C(C)(C)C)CC1 1507908943 LKHLLFJAHSDWPC-HXUWFJFHSA-N 432.996 4.974 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(C(=O)C(C)C)CC1 1507927003 ZRCMQMAKDGXRNR-UHFFFAOYSA-N 447.986 4.789 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)Cc1cccs1 1507945091 BKLLRHWOQGEKFB-UHFFFAOYSA-N 448.596 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cc(C(C)(C)C)no1 1507974701 IRVXWYOAPWJFKU-UHFFFAOYSA-N 444.377 4.972 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCO[C@H]1C(C)C)C1CC1 1507990997 QVAUKZBKXHZISR-XXBNENTESA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)c1ccccc1 1508006571 IBZWRZRFQDBEIE-RXVVDRJESA-N 435.597 4.677 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1508025790 CCUGCBHVTYZBDA-PMACEKPBSA-N 445.567 4.848 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)C1 1508122894 BCZMNUISZBJNHQ-FQEVSTJZSA-N 434.506 4.615 30 10 IJEE C#CC[C@]1(C(=O)N2CC3(CCCC3)c3c(F)cccc32)CCCN1C(=O)OC(C)(C)C 1520116216 GNHVRFAUQFDJCD-RUZDIDTESA-N 426.532 4.777 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 1520377493 SDDIUFANZGQLQK-UHFFFAOYSA-N 428.473 4.670 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc(Br)ccc1Br 1521832248 JLNZQLMVSZWSLP-UHFFFAOYSA-N 425.120 4.706 30 10 IJEE Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)c12 1526174847 GGCQGMBOJBAJFV-LBPRGKRZSA-N 428.414 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](CC(C)C)N(C)C 1538983909 ZBQLVBOXJCJNEC-BJLQDIEVSA-N 427.662 4.566 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC=C(COC)CC1 1539094095 KHUJSIYZGBMUTN-LJQANCHMSA-N 442.991 4.885 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1539097416 MHTUWDXLBFZGNC-AZUAARDMSA-N 438.572 4.543 30 10 IJEE C=C(Br)Cn1c(N2CCS[C@@H](C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1539612009 GDMODDUYZJNLRW-SJORKVTESA-N 447.446 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC=C(C(C)(C)C)CC1 1539638238 YIZWCJFVCOGNIO-AVRDEDQJSA-N 441.645 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1cccs1)N(C)C 1539655470 MNPVUCQVKFRQSN-IBGZPJMESA-N 440.573 4.620 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[C@H](O)C2)CC1 1539840314 RFLUNMDKUYCHCV-RDJZCZTQSA-N 449.368 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCSC2)CC1 1539882640 RXUWVCKLCRJMSF-IBGZPJMESA-N 442.629 4.898 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](CC(C)C)N(C)C)CC1 1539897517 GBVBXVTXLQJZEJ-NRFANRHFSA-N 446.039 4.889 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1CC 1539903120 SUZCMFGSBJOJSL-GOSISDBHSA-N 444.649 4.528 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](OCCC)CC1)c1ccccc1 1539939782 KELQKXVCJHNTOP-WXFUMESZSA-N 438.616 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CC1(CN2CCOCC2)CCCCC1 1540062719 VSGYGDWZCFMKQP-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C(C)C)CC1 1540911146 TUNAEUBRPRZTOB-GOSISDBHSA-N 445.702 4.581 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 1542277041 QOXGYINCAHODRC-GOSISDBHSA-N 429.904 4.773 30 10 IJEE Cn1ccnc1[C@H](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(F)(F)F 1543116036 FGJLCSUEHSJOOB-FQEVSTJZSA-N 442.441 4.740 30 10 IJEE C=CCc1ccc(OCC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c(OC)c1 1543789774 IFPZNWTVIMYRGS-HXUWFJFHSA-N 446.950 4.548 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2nccs2)on1 1545823226 FFLGANVPPKUVOW-UHFFFAOYSA-N 447.568 4.850 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC1 1554684583 DFJBDHUDOAUQRO-JOCHJYFZSA-N 441.988 4.975 30 10 IJEE COc1ccc(-c2ccc(C(=O)Nc3n[nH]c(-c4cccc(C#N)c4)n3)c(F)c2)c(F)c1 1559044822 AVYNDKSXHDETIW-UHFFFAOYSA-N 431.402 4.549 30 10 IJEE C#Cc1cccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1 1563487230 ZVNHGFGRFPEJES-VWLOTQADSA-N 436.559 4.847 30 10 IJEE C#C[C@@H](NC(=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(Cl)cc1F 1565002264 IUUAAXNJZIZSNM-AEFFLSMTSA-N 449.231 4.556 30 10 IJEE C=CCC1(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)CCCCC1 1565970218 JLCXWCZUQOECQJ-UHFFFAOYSA-N 449.433 4.935 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)[C@@H](Cc3ccc(F)cc3)C(C)C)n[nH]2)c1C 1586924571 QCEAYDJFAZRQKL-QHCPKHFHSA-N 437.563 4.945 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1587575421 VIOPFORTOIWWRU-ABSDTBQOSA-N 445.405 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(OC(C)(C)C)nc1 1587585767 GEQITRZTIMHMAI-KRWDZBQOSA-N 429.524 4.770 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1nccs1 1587706879 UKLHUILTSMGPIZ-INIZCTEOSA-N 429.977 4.968 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C(C)C)cs1 1588271092 DNQFUWFEVRXBGN-MRXNPFEDSA-N 427.549 4.645 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CC(C)C)C1 1589502847 AFIPYTHBHYZCAV-LMNJBCLMSA-N 429.996 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CCc1ccc(OCC(F)(F)F)nc1 1589626327 WSYAOWUPVCYPJP-UHFFFAOYSA-N 445.489 4.926 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 1593703983 PPKYXZNSBWTSRT-NRFANRHFSA-N 449.599 4.646 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCNc2ncc(Cl)cc2Cl)CC1 1594083684 UCUOFNQOFXTIJL-UHFFFAOYSA-N 444.370 4.619 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1594236506 DLKVUHYVSQDNKU-NHCUHLMSSA-N 445.558 4.503 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1594473155 NIDAWDDURQPKNB-QFIPXVFZSA-N 429.572 4.766 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1)c1ccccc1 1594552171 IWCGKFBOVMDTHA-NRFANRHFSA-N 449.624 4.533 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(N(CC)CC)nc1 1594885239 BPAHJGPKHSVJIV-UHFFFAOYSA-N 441.583 4.713 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CCOCC)CCC1 1595010327 XLCAAILFNXDSAI-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 1613241014 LJGZZYGCXPDMFI-KRWDZBQOSA-N 434.439 4.608 30 10 IJEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1ccsc1)C(C)C 1615637609 AVSYGLMJINSSDD-JOCHJYFZSA-N 434.613 4.950 30 10 IJEE C=CCC[C@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)c1ccccc1 1618128606 HXJFOLNUOYXVAL-IBGZPJMESA-N 433.415 4.905 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C)o2)c1 1623513408 VPFRJQQTSZSISL-UHFFFAOYSA-N 444.940 4.553 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F 1626172403 QXRZBLBSCNFGIO-KRWDZBQOSA-N 448.235 4.694 30 10 IJEE C=CCN(CCC#N)C(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1628429174 BDFIPXDHSFGMNN-FQEVSTJZSA-N 443.547 4.576 30 10 IJEE C#C[C@H](NC(=O)Cc1sc(SC(F)(F)F)nc1C)c1ccc(Br)cc1 1628541935 AFBWIQDHXGGARN-LBPRGKRZSA-N 449.317 4.859 30 10 IJEE C#CC1(NC(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)CCCC1 1628844581 NRVIYMSBWWMBPV-OAQYLSRUSA-N 439.650 4.815 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1)c1ccc(Cl)cc1F 1636567017 KXTKNUGLORDLMD-HXUWFJFHSA-N 437.906 4.528 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C 1636639528 BCTTYJPWBMLFAD-UZTOHYMASA-N 426.516 4.551 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c2ccccc12 1637341174 DEVRHYHABPETCV-GOSISDBHSA-N 431.330 4.848 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nc(-c3ccccn3)cs2)s1 1640224907 XLOKWJNFGUXCQP-UHFFFAOYSA-N 437.015 4.674 30 10 IJEE C=CCn1c(S[C@@H](C)c2ncc(Br)cn2)nc2sc3c(c2c1=O)CCC3 1640684266 UKTUDORERDELMV-JTQLQIEISA-N 449.399 4.539 30 10 IJEE C#C[C@H](NC(=O)c1cccc(C)c1NC(=O)c1ccncc1)c1ccc(Br)cc1 1641517587 LFDNJZAHCVLPGE-FQEVSTJZSA-N 448.320 4.509 30 10 IJEE C#CCN(C(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C1CSC1 1645212554 RIELHKNVMIYYKN-UHFFFAOYSA-N 434.348 4.828 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2(C)C)c1 1646177652 UZWZUKKQTYGWCZ-OAQYLSRUSA-N 429.969 4.545 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CSc1nccn1-c1cccc(C)c1C)c1ccccc1 1648457993 DJTMHRCJEKPNSL-LJAQVGFWSA-N 425.579 4.821 30 10 IJEE C#CCN(c1cc(O[C@H](C)CC)nc(C)n1)[C@@H]1CCOc2ccc(Br)cc21 1650757712 ZHNVMJBOKVLPFP-RDTXWAMCSA-N 430.346 4.688 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCC(C)(C)C[C@H]3c3ccccc3)ccc2c1=O 1650785049 DTDAHFCVHWIGHO-LEWJYISDSA-N 447.604 4.964 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)CN3CCC(c4ccc(C#N)cc4)CC3)CC2)cc1 1654932118 ANFWSQNDBHCWFW-UHFFFAOYSA-N 429.608 4.918 30 10 IJEE C=CC[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)OC 1655989187 DVFPYZSCGDMALV-KRWDZBQOSA-N 436.867 4.527 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cc1 1657196906 HLGPNZBQPJGUSQ-UHFFFAOYSA-N 430.552 4.858 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)[C@H]1CCCc2ccccc21 1658242826 NUFOOVKDRFXREV-QFIPXVFZSA-N 431.536 4.757 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)c1ccc(Br)cc1 1661980041 PPILTSQXWVYXPJ-SFHVURJKSA-N 426.314 4.994 30 10 IJEE CC(C)Oc1ccc(F)cc1S(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1662648676 FGJQDRZZHYEARO-CQSZACIVSA-N 444.450 4.735 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 1663085264 VYEQFYNYEOUUNM-SMDDNHRTSA-N 426.298 4.881 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CC2)c(Cl)c1 1668551422 CWEMRYWPBWHRQH-QFIPXVFZSA-N 426.923 4.724 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)c(C(=O)NCCN(CC)CC)c1 1669491129 VBMTXCLJQQQSFB-UWJYYQICSA-N 435.012 4.668 30 10 IJEE CN(C)CCN(Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1671797522 CUFSDJXWCZAXMJ-UHFFFAOYSA-N 444.583 4.637 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccc(C)cc2)CC1 1672209986 NHCWGUFFQJLISL-UHFFFAOYSA-N 430.346 4.676 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H]2CSCc3ccc(Br)cc32)cc1 1672604145 CUHLOKSDPDANFT-IBGZPJMESA-N 433.371 4.801 30 10 IJEE C#CCN(C(=O)Nc1ccc(F)cc1C(C)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1672617873 RMILDOIPXCEAMS-UHFFFAOYSA-N 439.478 4.804 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)c1ccccc1 1675610595 PNEXMNPOQAMFBW-JOCHJYFZSA-N 425.960 4.791 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C 1676658652 KQOBNGMLKPAXKA-NRFANRHFSA-N 426.467 4.507 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 1678040078 MHQMCLLYLHDWNF-XZOQPEGZSA-N 427.976 4.720 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCCC[C@H]3/C=C\c3ccccc3)C2=O)cc1 1681299791 AFKVZFSYWSWIEE-OSJNGOSASA-N 442.563 4.721 30 10 IJEE C#CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCc2ccccc21 1682076853 SUVYEAQGFIUVLO-FQEVSTJZSA-N 431.414 4.836 30 10 IJEE C#CCN(C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1682089507 FPWHNKWBVXYOLI-CTNGQTDRSA-N 443.563 4.506 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1 1686917306 JKSCSAMAVHUZJU-VPUSJEBWSA-N 428.507 4.546 30 10 IJEE C#C[C@@H](NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21)c1ccc(Cl)cc1F 1686922228 DEPORYYFFPVUOC-ORAYPTAESA-N 448.325 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690237078 VDWWVPCZMQSGCY-NMNUPHIUSA-N 440.636 4.503 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC1COC(C)(C)OC1 1690276325 XIMAVLSIJIFFFO-UHFFFAOYSA-N 449.599 4.764 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C 1690451560 JUUJIISNNUOCMC-ROUUACIJSA-N 429.996 4.843 30 10 IJEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1ccc(Cl)s1 1690481660 LRBQXSRZUZJARD-UHFFFAOYSA-N 433.965 4.713 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1690539934 SAWZDDVWWLCBMD-FQEVSTJZSA-N 435.616 4.656 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(CN2CCCCC2)cc1 1690595017 LWGKPVYEYUCAHF-DEOSSOPVSA-N 435.616 4.732 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1690631089 LGJROEHZEOLOCR-HNNXBMFYSA-N 449.502 4.999 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1690700372 RIGNTAWPDRURPF-FJIDUMEYSA-N 428.499 4.595 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2CC2CC(C)(C)C2)cc1 1696133894 ANGGMAOXDDZOAP-ZWKOTPCHSA-N 425.577 4.991 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1705511580 YDHZFLBKPVXABR-HXUWFJFHSA-N 442.007 4.535 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1705610951 KUGJUSQKSKGNCN-BGYRXZFFSA-N 432.616 4.642 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCSC1(C)C 1705619930 GWAYUUJCSVJNBZ-OAQYLSRUSA-N 449.599 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)c1nccs1 1705668510 NSQRBSJAELYVII-YGKZAACZSA-N 439.560 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C(C)C)C(C)C 1705672132 LUDNUWBCUJCEJM-HHHXNRCGSA-N 446.643 4.938 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705778836 LLQKSLGFWHYEAW-OAQYLSRUSA-N 437.588 4.747 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(Cn2nc(C)cc2C)CC1)c1ccccc1 1705796600 HOLLFNNUHMSHTH-XMMPIXPASA-N 432.616 4.930 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1705798571 WCQDSMMQHYDUPY-ZEQKJWHPSA-N 443.599 4.630 30 10 IJEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC=C(C(C)(C)C)CC1 1705830678 VIIFCNSSPMNXCH-QFIPXVFZSA-N 438.572 4.566 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)c1nccs1)C1CC1 1705848018 KIWJKFOQBYDEGV-KRWDZBQOSA-N 436.585 4.562 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2scnc2C)cc1 1705911687 NNUTUFVPMORCMG-HXUWFJFHSA-N 439.585 4.534 30 10 IJEE C[C@H]1C[C@H](C)CN(C(C)(C)Cn2c(N(C)Cc3ccc(C#N)cc3)nnc2C(C)(C)C)C1 1707960807 HDTVHHKLVLJBER-PMACEKPBSA-N 436.648 4.840 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCCN1CCCC1 1722406470 YTNPPRHHWYIPLH-HXUWFJFHSA-N 439.673 4.857 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]1C(C)C 1722454009 HCVZHKMESVYUIK-HXUWFJFHSA-N 442.629 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCC1(OC)CCC1 1722469789 LQJPEZKTMQGPDQ-LJQANCHMSA-N 449.418 4.720 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc(OC)cc2C1 1722520993 XIQDZEDCRQMTLX-UHFFFAOYSA-N 445.386 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722589868 PLFZEGKDDPUNBW-VXKWHMMOSA-N 438.616 4.885 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1722607478 VEMBULMXNCDYET-IBGZPJMESA-N 445.405 4.927 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCCC1 1722616312 OXQAEURRSWHBKF-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722622536 JZOLZZOBDRSUPM-CEXWTWQISA-N 449.665 4.593 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722633880 KINXWLDRQUADDN-NHCUHLMSSA-N 441.620 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1sc(C)nc1C 1740538031 JQUOALCAKPFIDI-AWEZNQCLSA-N 448.621 4.957 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1Cc2ccc(Br)cc2C1 1740569032 YLIYHLVTZYLRAX-UHFFFAOYSA-N 425.330 4.933 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1740669127 NPEVOWKQOZOXPH-UHFFFAOYSA-N 432.616 4.644 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(Cl)c1 1740714153 XBAQQPLMZQQMEE-UHFFFAOYSA-N 432.380 4.650 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)C)C1 1740788426 SMWJUQRCCWVPFZ-WIYYLYMNSA-N 448.995 4.525 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccsc2)CC1 1740824986 HBAKYLQKWIHUNZ-LJQANCHMSA-N 443.617 4.659 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740865663 PYFCKWKDABOQQF-OALUTQOASA-N 430.980 4.730 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1740910179 LCROUXDMGTXAGB-SFHVURJKSA-N 431.625 4.669 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1740911829 ZUTQAWKZJOOVTR-PXNSSMCTSA-N 429.609 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1csc([C@@H](C)OC)n1 1748687684 PDTZWFUYBQFLOB-DLBZAZTESA-N 441.626 4.549 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1748726330 DWDUZBUHRZHPHT-OAQYLSRUSA-N 448.640 4.800 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(C)CCCC1 1748867446 GKGKADMXRRTKKS-OAQYLSRUSA-N 434.584 4.860 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCCC1(F)F 1748937876 SYIYWMMBIIYAQH-GOSISDBHSA-N 432.515 4.541 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCN1CCC(C)CC1 1749072288 KSSNZMSTJXMKKR-HHHXNRCGSA-N 433.644 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN1CCCCCC1 1749080888 XAQFUKQQOHLSQL-RUZDIDTESA-N 437.657 4.747 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccoc1C 1749140120 MJALJJNUZRATDI-LNRXMEIDSA-N 442.604 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCSCC1 1749146272 AFQVZZDRKLVVSV-UHFFFAOYSA-N 440.444 4.703 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@@H](CC)C1 1749212915 BCADDSGVNLZYHB-IBGZPJMESA-N 437.613 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCS[C@@H](C)C1 1749376486 ZNMHUTIUFPWHQD-SFHVURJKSA-N 430.618 4.800 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749413450 VNLDODXOGIHYAJ-HBFSDRIKSA-N 429.996 4.711 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCOc1ncccc1Cl 1749465921 JAQUELBEOPGJQW-SFHVURJKSA-N 441.963 4.785 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCCCO1 1749531878 PNPPCFAUIWYXMR-JOCHJYFZSA-N 431.540 4.870 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1749538842 NOIBQVOINWUCJE-LJQANCHMSA-N 439.604 4.994 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1scnc1C 1749573835 WCGADNOCDWNQPR-UHFFFAOYSA-N 432.553 4.786 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CC[C@H](CN3CCCCC3)C2)nnc1C(C)(C)C 1749689636 MAGAKLYLYCTZLV-OAQYLSRUSA-N 437.632 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCc1c[nH]nc1C 1760288577 GOIODGGBGANSPQ-HFZDXXHNSA-N 446.599 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCc1ccc(Cl)s1 1760297431 SSNVAELLZHWGCY-HSZRJFAPSA-N 441.000 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(CC)CC)nc1 1760331186 DWUGYMJCLUVPMU-UHFFFAOYSA-N 429.572 4.509 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCOC2CCCCCC2)CC1 1760391802 RMFYHLKIHWBNGG-UHFFFAOYSA-N 438.616 4.968 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@](C)(O)c2ccsc2)CC1 1760392180 HMBLSZUBPRMBTR-JOCHJYFZSA-N 444.988 4.636 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)cc1 1760487755 CXADHTHSPYLJAO-UHFFFAOYSA-N 436.560 4.581 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1Cc1ccc(C(F)(F)F)cc1C 1760496324 QJQOBQCLZWTQBS-UHFFFAOYSA-N 427.474 4.818 30 10 IJEE CCC(CC)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](F)(C#N)C1)OC 1762125117 CSAHWOUDAWNYJX-QFIPXVFZSA-N 445.608 4.923 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 1772790416 OCEBHTIRWLXPAK-IBGZPJMESA-N 442.254 4.868 30 10 IJEE Cc1nc(-c2ccccc2)cc(N2CCC(C(=O)Nc3oc4c(c3C#N)CCCC4)CC2)n1 1859755786 AOFYDFOOCKPLMR-UHFFFAOYSA-N 441.535 4.651 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 1862445164 PYIVTDBNOPNSMS-FQEVSTJZSA-N 431.891 4.873 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862479106 YSQNACNPJRGEPE-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1C(=O)O 1862546075 PDAGJDODYUXUEQ-QFIPXVFZSA-N 433.504 4.642 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccccc2F)cc1 1862662406 JPORZIAYWSUMMX-HSZRJFAPSA-N 438.543 4.869 30 10 IJEE CCOc1ccccc1NC1=C(c2cc(C)ccc2C)C(=O)N(c2ccc(C#N)cc2)C1=O 1863029337 JJZLTRXEJDHBPH-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@@H](c3cccnc3)C2)nc(-c2ccccc2)n1 1868373473 WBBMDHCXBCFMBP-HSZRJFAPSA-N 434.503 4.732 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(C)C 1869015130 ZEHHPTCCXJSNRT-RTWAWAEBSA-N 449.433 4.920 30 10 IJEE CC(C)COc1cccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)c1 1870109819 LAQWXFFBSOCGBJ-UHFFFAOYSA-N 444.322 4.792 30 10 IJEE CCCCCCCOc1cn(Cc2ccc(C)cc2)c(CN2CCC(CO)CC2)cc1=O 1870416733 MOMAUMOFNAYJDE-UHFFFAOYSA-N 440.628 4.759 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1ccccc1F)C2=O 1871394064 BBQKVWXEORKMBS-HAHDFKILSA-N 432.495 4.916 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871422288 IZMANFMDIXCDPW-FMCGGJTJSA-N 445.446 4.970 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1cc(C)ccc1C 1872096345 HSOGWKGSCURIJE-QFIPXVFZSA-N 439.581 4.769 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872152135 SEBYGDOBEAGPHH-XMSQKQJNSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CCC 1872200176 BYOKAPAQHFEASV-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cccc(C)c1C)n2CCCOC 1873656956 PBMTYARTHYKOQW-UHFFFAOYSA-N 433.556 4.515 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(N(CC)CC)ncnc21 1873670755 OKRHRGVVKHSXFF-UHFFFAOYSA-N 433.434 4.614 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N12 1873936968 UWDLMYDOZYFAHV-HXOBKFHXSA-N 434.602 4.531 30 10 IJEE CSc1nnc(COc2cc(Cl)ccc2Cl)n1/N=C/c1cccc([N+](=O)[O-])c1 1874205143 LLINYYYQXPJQDY-AWQFTUOYSA-N 438.296 4.676 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccccc1 1874271008 ZUENUHFCSWHPRB-WPWMEQJKSA-N 443.576 4.523 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874375520 AICCVFRFZGYFNA-BHGWPJFGSA-N 446.935 4.926 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@@H]1CCCO1 1874447247 XHTXAPLCLYPMLS-LEEXQRRLSA-N 449.580 4.668 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1OCC(=O)NCc1ccccc1 1874578601 XJLSGHVLOPXWKZ-NTCAYCPXSA-N 435.907 4.940 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC 1874619860 WNXIICRXMWBPQN-CMDGGOBGSA-N 445.943 4.857 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(CC)cc2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875101585 WOKNGXNSJMTVJI-JXMROGBWSA-N 437.370 4.920 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccccc1C 1875150117 XWKXQJGCECOLER-CSKARUKUSA-N 446.455 4.856 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccncc3)c([N+](=O)[O-])c2)c(C)c1C 1875167248 WCWMNKJBGTYWMO-QPJJXVBHSA-N 432.432 4.731 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccc(F)c(Cl)c3)cc21 1890602532 CGKOTXXFXLUWIZ-UHFFFAOYSA-N 430.907 4.988 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccc(Br)c1Cl 1891651056 BLXYVOOPURSOQM-UHFFFAOYSA-N 446.650 4.934 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1c(F)ccc(Br)c1F 1891902738 OUTWQFURCANXEM-UHFFFAOYSA-N 448.185 4.558 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 1902202488 XCUOXUYDMNXZNN-AUUYWEPGSA-N 435.487 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1cc(Br)c(Cl)s1 1922087025 VQDGKLUUAGLRGN-IRXDYDNUSA-N 430.795 4.949 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922101558 YMVKNQSYBFCFKH-ZEQRLZLVSA-N 440.584 4.587 30 10 IJEE CC#CCCC[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2018329325 HLEFINZMLQJONL-ZEQKJWHPSA-N 427.633 4.718 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 2020336584 OGEOQCYYKQBXQM-LJQANCHMSA-N 437.625 4.617 30 10 IJEE N#Cc1ncc(Br)cc1Nc1cc(Br)ccc1Br 2048647481 HCWNAUAARJAHBK-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)Cc2cccc(Cl)c2Br)C1 2063052133 PIJBANWPNJETKK-OAHLLOKOSA-N 429.786 4.833 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](OC)C1CCN(C(=O)OC(C)(C)C)CC1 2067705358 KKZSDBWMCXCKPU-DNQXCXABSA-N 446.632 4.790 30 10 IJEE Cc1cc(C)c([C@H](n2nc(C)c(/C=N/O)c2I)C2(C)CC2)cc1C 2079112024 NSYRTOHLPSHGAD-GVLJNOETSA-N 437.325 4.919 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2ccc(C#N)c(Br)c2)CC1 2106957171 RDLVAHGHXMWJLT-KRWDZBQOSA-N 426.330 4.718 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c1 2124523566 HWEKOYDXPDPQCJ-IRXDYDNUSA-N 442.365 4.506 30 10 IJEE C=C(CNC(C)C)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2165101580 GBOILWRMUBYJFY-UHFFFAOYSA-N 440.426 4.725 30 10 IJEE CC(C)(C)OC(=O)N1CC(C2CCN(c3cc(Br)cc(F)c3C#N)CC2)C1 2176945806 KLDVFWVJSMAMDV-UHFFFAOYSA-N 438.341 4.543 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ccccc2c1Br 2180951909 CSEOQSUSPPIMPN-KRWDZBQOSA-N 431.330 4.848 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CCC#N)CC2CCC2)cc1Br 2181050275 QRGGCBRJWAHHBS-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cc(Br)ccc2C#N)CCC1(C)C 2193421500 LAJHSHACSMEGAG-CQSZACIVSA-N 436.350 4.685 30 10 IJEE N[C@H](C#Cc1cccc(Cl)c1)c1ccc(I)c(Br)c1 2230991768 YACKJHLBIZTNII-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC12CCC(O)(C#Cc1ccccc1Br)CC2 2235715229 IBHSXZNWUZYIEY-YTXWROIDSA-N 434.374 4.637 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)CC#CC2CCCC2)C1 2251529214 LTEXEPUDLZKKID-AREMUKBSSA-N 425.569 4.983 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)C1 2255186682 RHWQVNWYEWLHPG-UHFFFAOYSA-N 443.544 4.587 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@H]2OCCC[C@@H]21 2260022728 WBQGWBLHGKHHRU-LNEBKTTKSA-N 444.616 4.590 30 10 IJEE C=CC[C@@]1(COc2nnc(Br)c(C)c2C)CCCN1C(=O)OC(C)(C)C 2272129155 RXAPCGQDQOMLQH-IBGZPJMESA-N 426.355 4.581 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](N)C#Cc1cccc(Br)c1 2278791235 QXTCQONVJZYCTM-DLBZAZTESA-N 441.435 4.553 30 10 IJEE N[C@H](C#Cc1ccc(Br)cc1)c1ccc(I)c(Cl)c1 2278795197 DEDSCNKJHGIXKL-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE C=CCCC1([C@H](NCC)c2cc(Br)nn2CC)CN(C(=O)OC(C)(C)C)C1 2281043427 XNDRZUXAWBOMCE-QGZVFWFLSA-N 441.414 4.519 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C1=O)cn2C 2293031533 NGWANGCPNJXOSG-INIZCTEOSA-N 432.520 4.883 30 10 IJEE C[C@@H]1CC[C@](O)(C(=O)C#Cc2cccc(Br)c2)[C@@H](OCc2ccccc2)C1 2296219616 QBBLITIJZZXCBE-VSDWSMLSSA-N 427.338 4.506 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@@H](O)C#Cc3cccc(Br)c3)(CC1)CC2 2296229081 GNFVGZOWPRZWDC-XTWGIRIWSA-N 434.374 4.779 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CCC12CC(CN1C(=O)OC(C)(C)C)C2 2296267787 WZUIPSAOXJMGGK-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CCCC1([C@@H](N)C#Cc2cccc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2296279040 KPWBLMVGIDKLSC-IBGZPJMESA-N 435.406 4.945 30 10 IJEE O=C(CCOc1ccccc1)Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323679879 JXARZWMVEGIGTJ-UHFFFAOYSA-N 431.400 4.586 30 10 IJEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2324077645 WJSBVROUPLRXOX-UHFFFAOYSA-N 429.472 4.678 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)Cc3ccc(OC)cc3OC)c2)c1 2325707459 ZFMOSBRSEHRVHH-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 2325724639 DCXYVOQKCMRIIZ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)c(OC)c1 2325760730 KIXVKFDXSVYAGY-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 2328081273 HMVCBNPCGBPEKM-YADHBBJMSA-N 425.960 4.988 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc[nH]1 2328446397 WVPRSFIHDGLKNP-UHFFFAOYSA-N 432.509 4.588 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccncc2)c1 2328615353 WMLRBPHNDBERGO-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccncc1 2329310077 QBMFGBHECJIYRS-UHFFFAOYSA-N 429.549 4.873 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2[C@H]2CCCO2)c1 2331005397 JPPCAOXTWFHYLZ-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 2331163080 SSJZOWDTCJBROU-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1cccs1 2331326231 NICDKYHPRGSESI-UHFFFAOYSA-N 427.599 4.912 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccccc1F 2331351087 PYJBCOPRJHNATH-QGZVFWFLSA-N 439.560 4.612 30 10 IJEE CCCOc1c(C=Nn2c(COC)nnc2SCc2ccccc2F)cccc1OC 2331577476 STRRGWOHNUJZML-UHFFFAOYSA-N 444.532 4.536 30 10 IJEE CCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(CC)cc1 2331662072 XIOXQOWROIVAQU-GOSISDBHSA-N 435.597 4.645 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)C)c1OC 2331689853 MNGWFMQITKWBBK-UHFFFAOYSA-N 441.513 4.501 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]2(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339589387 WSXROTUSSKMWQR-UUOWRZLLSA-N 442.365 4.505 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CNc1ncc(Br)cc1C#N 2358977307 WITPRSJGMFRZEY-XKQJLSEDSA-N 435.366 4.696 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2365158874 OXRLAAGOHLSJAV-JQVVWYNYSA-N 433.390 4.568 30 10 IJEE C=CCCC[C@H](C)N[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2375579482 HPJAILNQMGSKOX-LKFCYVNXSA-N 425.186 4.907 30 10 IJEE COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)c1 21233693 POODYWHCJSCDSD-PGRDOPGGSA-N 449.547 4.743 30 10 IJEE O=S(=O)(c1cccc(-c2csc(N/N=C/c3cccc(Cl)c3)n2)c1)N1CCCC1 33960133 XZZMKBVLPHRQRN-LPYMAVHISA-N 446.985 4.694 30 10 IJEE C=CCOc1ccc([C@H]2NC(=O)c3oc4cc(C)c(Cl)cc4c(=O)c32)cc1OCC 38702988 OBALGAGDUSWNFO-HXUWFJFHSA-N 425.868 4.551 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N(C)C2CCN(C)CC2)C1=O 170041318 JVLITIZHODSJTR-UHFFFAOYSA-N 439.644 4.933 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(O)c2)ccc1F 170083085 ALYTYSNJCKUGIP-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccc(C)o2)c1 170099411 AGAKRBKLNBHURV-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCOC(C)C 170107547 YVDCUZBRWWZZEY-FQEVSTJZSA-N 438.549 4.931 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccn1 170170463 AXCHNFOKWUJDGB-JOCHJYFZSA-N 428.488 4.798 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(F)cc1 170239278 SSRCQWICPIHUFM-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@H]1c1cccc(O)c1 170263520 DMBWZMLOWWPMJL-HXUWFJFHSA-N 429.900 4.823 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(CC)cc2)cc1C 170266059 POICFEJXBWCACE-XUZZJYLKSA-N 449.547 4.713 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)ccc1Cl 170274292 XROZINUNVDBQRQ-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)[C@@H]2c2ccco2)cc1 170284779 KNEYJYMSWBNSJA-NRFANRHFSA-N 445.427 4.826 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2sccc2C)c1 170317736 RMYKKGBAMRVXAT-GOSISDBHSA-N 449.956 4.723 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)c1ccc3c(c1)OCO3)C2=O 210090909 NFNJBLKISCLLAU-FOKLQQMPSA-N 430.412 4.649 30 10 IJEE CC#CCOc1ccc2c(c1)c(CN1CCC[C@H]1CO)cn2Cc1ccc(Cl)s1 248150449 GTWZTIYAAMNBRE-SFHVURJKSA-N 428.985 4.763 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc2ccccc2c1 253569694 MRCQFOBCYAWAJW-UHFFFAOYSA-N 445.504 4.923 30 10 IJEE O=C(c1ccc(F)cc1O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436827863 VSXKDPDLFIOORJ-INIZCTEOSA-N 437.311 4.783 30 10 IJEE O=C(c1c(O)cccc1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436986075 FFMXNRBFHDLTCI-OAHLLOKOSA-N 437.311 4.783 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1c1ccccc1OC 460547638 RYMDNNAQHBSZAO-OAQYLSRUSA-N 434.540 4.889 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 470230372 LUOCTGVNXUOBRB-SFHVURJKSA-N 436.377 4.549 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 484116859 OTXXHKXCLYDSMP-UHFFFAOYSA-N 435.474 4.833 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(c2ccccc2C(F)(F)F)CC1 509014099 WPFFUCJRFSDRNT-UHFFFAOYSA-N 427.474 4.853 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(SCc3ccco3)C2=O)c(C)c1 526667950 LYIZSZDDAHKHOI-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OCC)c(OC)c1 526802888 NBOBXRIKAGLVDA-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1 534823954 XDJDAGCIHTUTEO-UHFFFAOYSA-N 431.487 4.935 30 10 IJEE C=CCOc1c(Br)cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OCC 539926655 ATMOHIVUBBNTJB-LPHOPBHVSA-N 434.378 4.692 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 549637216 LGDZPRASOQYVKE-IBGZPJMESA-N 436.560 4.632 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](Cc2csc3ccccc23)C1 549638436 KEIRKZSDUZPVGD-NQIIRXRSSA-N 438.597 4.616 30 10 IJEE COc1ccccc1CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1 586156626 BPOAWLIZHLPNRA-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 610635906 OLODQCARERSAIF-MRXNPFEDSA-N 433.508 4.806 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccnc(N4CCCCC4)c3)c2)s1 740034944 GIEVNTKOHYFWMU-UHFFFAOYSA-N 431.565 4.671 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 752395874 UVVWRGPRQXZNRZ-VKAVYKQESA-N 438.574 4.989 30 10 IJEE COc1ccc(/C=C(/C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1F 754007348 KOKCGYNSVQKNOU-LCYFTJDESA-N 440.525 4.892 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)NC(C2CC2)C2CC2)[n+]2ccc3c(c2)CCCC3)cc1 762441177 VZJRQUDKQHPBEC-UHFFFAOYSA-O 430.597 4.714 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2CCc3ccc(F)c(F)c3C2)c1=S 767783379 YDJWKOPEADCAKQ-UHFFFAOYSA-N 428.508 4.570 30 10 IJEE O=C(Nc1ccc(F)nc1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769242960 XIMPQPGGONONTH-CQSZACIVSA-N 437.315 4.864 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CCC[C@@]3(C2)OCc2ccccc23)c1=S 774707237 XXVUWULYZPOSQM-VWLOTQADSA-N 448.592 4.755 30 10 IJEE N#C[C@H](C(=O)CN1CCCCC[C@@H]1/C=C/c1cccs1)c1nc(O)c2ccccc2n1 783030000 DZDXRCVAUFSDTL-QWUFOESZSA-N 432.549 4.531 30 10 IJEE C=CCn1c(CCc2ccco2)nnc1N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 800780562 YNJWHDUWSGWACC-UHFFFAOYSA-N 449.942 4.502 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 917846476 RNIYNKUJBLVDCG-UHFFFAOYSA-N 449.557 4.680 30 10 IJEE Cc1nc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)nn1-c1ccccc1C(C)C 1127506137 BPPNKKKCBVSMAG-UHFFFAOYSA-N 445.914 4.662 30 10 IJEE CSc1nc(O)c(C(=O)Oc2c(Cl)cc(Cl)cc2Br)cc1C#N 1129530959 RNPQTVZEJREHSO-UHFFFAOYSA-N 434.098 4.669 30 10 IJEE C=CC[C@H](C(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1)c1ccccc1 1141566851 XKJQXSPLFRFNBJ-GVAUOCQISA-N 432.564 4.900 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1143068044 JAQLXXYUZFBFQQ-KRWDZBQOSA-N 438.453 4.829 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 1158669717 JLOZFEJHIWLKIR-ROTAYESASA-N 440.565 4.761 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H]2CCC[C@H]2Cc2ccccc2)n(-c2ccccc2)c1C 1193496239 FYTGXYSQCODCBD-DHLKQENFSA-N 426.564 4.905 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](c2ccccc2F)C1 1206193908 AGXZRYFNKXXYMD-LJQANCHMSA-N 435.293 4.758 30 10 IJEE C=CCCS(=O)(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1209671890 ARVBLYCRHBSPHK-LJQANCHMSA-N 438.387 4.975 30 10 IJEE C=CCC1(O)CCN(C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)CC1 1226937950 UXAXNNXTTXQWRV-UHFFFAOYSA-N 446.979 4.606 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(F)cnc1Cl 1228965043 PJPWIDUVLYAQTR-UHFFFAOYSA-N 430.680 4.674 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C)[C@H]1CCCc2ccccc21 1251488462 BHYDGYDLSFCTDX-GOTSBHOMSA-N 434.490 4.510 30 10 IJEE C#C[C@@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 1252449710 UMGYRYYJTCKADW-BHDDXSALSA-N 438.955 4.781 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCCCC3)CC2)c(F)c1 1254221673 FZNVOTWAZIBHBG-DEOSSOPVSA-N 438.522 4.990 30 10 IJEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)c1ccccc1 1266421711 QNHIKLQRPZECIL-QHCPKHFHSA-N 440.609 4.528 30 10 IJEE C=C[C@H](CC(=O)N(CCC(=O)OC)Cc1cccc(Br)c1)c1ccccc1 1269087581 RGACCSCUBIRLBW-GOSISDBHSA-N 430.342 4.701 30 10 IJEE C=CCn1cc(C(=O)N(C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)nn1 1270356774 YYTUISRDNZIION-NRFANRHFSA-N 444.457 4.765 30 10 IJEE C#Cc1cccc(CNC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 1275917751 XKIOJTAIZLDOHC-UHFFFAOYSA-N 425.528 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CSCCS1 1286278460 DBUCZNUZTUTFHZ-NVXWUHKLSA-N 432.684 4.582 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286303377 BIEQSSHCGFOIIC-BHIFYINESA-N 439.673 4.705 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1286315441 WZPNKINIPPBSQE-SFHVURJKSA-N 433.522 4.941 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1286322797 DAKPXKVVYQLVGH-HXUWFJFHSA-N 446.599 4.522 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H]1CC 1286687014 LDVVAAISPVSWEK-RBUKOAKNSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1286699420 CKDJOJJWWNUIAI-UHFFFAOYSA-N 429.634 4.602 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 1286705781 FIOSQNZSUFJTEP-MOPGFXCFSA-N 448.995 4.506 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](CC)C2)cc1 1286797643 YFNIITNSKRJCMI-LJQANCHMSA-N 437.613 4.873 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286827105 CWUSDNFVKWXDHZ-LJQANCHMSA-N 434.556 4.745 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)nc1C 1293014436 XLBTZJVDCKAIOD-UONOGXRCSA-N 431.974 4.580 30 10 IJEE C#CCCN1CCC(NC(=O)c2cn(-c3ccccc3C)nc2-c2ccc(CC)cc2)CC1 1293933580 SNHQUEONPBCUDX-UHFFFAOYSA-N 440.591 4.628 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1sccc1Br)C(C)C 1295173576 DUBJALPCNPVUOJ-UHFFFAOYSA-N 430.375 4.924 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCCN1CCCC[C@H]1C 1300650854 YWEYXSGSAWIUJI-OAQYLSRUSA-N 425.596 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)CN1CCCCC1 1300918908 MHGOOFIRSKYXPS-OAQYLSRUSA-N 434.632 4.875 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(C)(C)C)CC1 1300936996 FFRROTRHSOGUAM-UHFFFAOYSA-N 435.572 4.614 30 10 IJEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1301078936 XGONTEJZJFOPMF-UHFFFAOYSA-N 431.462 4.516 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301148115 LHKMSSDITQFBGJ-VQTJNVASSA-N 443.661 4.719 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(C)C)C1)c1ccccc1 1301166188 QSXRYSXOPZGNQC-GOTSBHOMSA-N 435.616 4.633 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC2(CCC2)C1 1301207552 YSWKOLMUAAOAJT-UHFFFAOYSA-N 435.341 4.572 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC2(CCCC2)C1)C(C)C 1301366650 GRHNGSYQBKUHMD-XZOQPEGZSA-N 441.664 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCN(CC)C1 1301371503 DCBRDIZHJICRSN-HXUWFJFHSA-N 448.640 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1C1CCCCC1 1301394487 ORTCKUWBEZTOSJ-JOCHJYFZSA-N 440.661 4.609 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)c(F)c1 1301410698 KNDRWYSOFUJJNN-JOCHJYFZSA-N 440.519 4.544 30 10 IJEE CC(C)OCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](F)(C#N)C1 1303556086 HXZFWHTZLHFPHR-HXUWFJFHSA-N 433.940 4.680 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 1307444706 IMTQMMQZOPCMPH-AWEZNQCLSA-N 429.467 4.690 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 1309599713 KQVXTFOBCBRXGF-QGZVFWFLSA-N 425.319 4.583 30 10 IJEE C#CC1(NC(=O)Nc2ccc(OC)c(NC(=O)c3ccc(Cl)cc3F)c2)CCCC1 1310162673 UWNDXAPCVHGSKI-UHFFFAOYSA-N 429.879 4.808 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)CCCCC1 1315269490 HAAWLZWGRDWJLZ-GOSISDBHSA-N 441.551 4.646 30 10 IJEE COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1315832010 FGVFZHRBAUFMNG-SFHVURJKSA-N 429.515 4.505 30 10 IJEE COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C#N)cc3)CCC(=O)N2c2ccc(C)cc2)cc1 1352714150 GSLMFGQXGBSQJF-AHWVRZQESA-N 439.515 4.998 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1358933079 GYRDGJLIBAOTBX-QFIPXVFZSA-N 433.625 4.934 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCCN(C)C1CCCCC1 1358987926 XIOLRHZGDUCQOM-UHFFFAOYSA-N 438.019 4.716 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC[C@@H](OCC)C1CCCC1 1359005737 TWPUTJUXVBBZHY-HSZRJFAPSA-N 431.584 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCC[C@@H](C)C1 1359109586 HDRXZOZWUKPVMH-GOSISDBHSA-N 432.012 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC1(N(C)C)CCCC1 1359116736 WZDXPMQFDABETE-UHFFFAOYSA-N 432.012 4.787 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1359116887 IYDWWYALGNBOGA-PMACEKPBSA-N 427.618 4.834 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](CCC)C1 1359127854 CEYIFLLERIVJQL-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](OCC(C)C)C1 1359129154 SPZXYEWYNUJWTL-GOSISDBHSA-N 436.959 4.582 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1cccs1 1359136514 KWYDXRAOLLKCNZ-IBGZPJMESA-N 442.560 4.992 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 1359137375 NNWPQFDQEBQBRR-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N(CC)Cc1nc(O)c2sccc2n1)c1ccccc1 1359137784 AOWPSJHUXRKGBU-UHFFFAOYSA-N 434.569 4.852 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nnc(C)s2)CC1 1359168979 PIIHOPNCQHIZHQ-UHFFFAOYSA-N 433.006 4.588 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCCOc2ccc(F)cc2)CC1 1359180054 PTTKSKBIRMLLPX-UHFFFAOYSA-N 435.547 4.665 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1359183232 GODQBDXSTCTQCG-GOSISDBHSA-N 429.584 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2ccco2)C1 1359184575 SQSXSKWLNHOIMY-FQEVSTJZSA-N 437.500 4.627 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1 1359261368 GGYJDGWWGPIPFR-UHFFFAOYSA-N 438.601 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CCCc1nccs1 1359268560 UTJNZABCTIBHHZ-UHFFFAOYSA-N 444.402 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCOc1ncccc1Cl 1359269404 AALQBWCEZKENBX-UHFFFAOYSA-N 448.958 4.743 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(Cc2cccs2)CC1 1359339776 QJEIDELINJKXOL-UHFFFAOYSA-N 439.654 4.556 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1Cc1ccc(F)c(Cl)c1 1359926893 GHKSSEHFZNIFBI-UHFFFAOYSA-N 428.943 4.891 30 10 IJEE CCN(C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)[C@@H](C)C#N 1438006699 DFJICPCGPMSDHE-HNNXBMFYSA-N 446.498 4.956 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](c2ncccc2C)C(C)(C)C)nnc1-c1ccco1 1439962945 RIJKBLGSAVYEFA-FQEVSTJZSA-N 439.585 4.813 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 1441734856 OGFCTKWRHANJPQ-HXUWFJFHSA-N 429.561 4.547 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C)sc2-n2cccc2)nc1C 1443509183 OYIAGNPAVVGNKC-UHFFFAOYSA-N 442.595 4.598 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)CC#N 1443566885 CUAZXIRBOUPOHV-KOSHJBKYSA-N 431.536 4.620 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(-c4ccc(OC)nc4)ccc3C)n[nH]2)c1C 1448378274 BMRSPCCXKZNRLN-UHFFFAOYSA-N 442.523 4.707 30 10 IJEE C=CCC1(CNC(=O)CCC(=O)c2ccc(I)cc2)CCCC1 1449436561 ZLBCCKZWORFSQQ-UHFFFAOYSA-N 425.310 4.507 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(F)c1 1458982825 BEYOTNJCCYKUOJ-UHFFFAOYSA-N 432.908 4.566 30 10 IJEE C#CCN(C(=O)CNc1ccccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1465179689 KFEFKZLEWJZNQL-GOSISDBHSA-N 433.733 4.500 30 10 IJEE CC[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)Oc1ccccc1C(F)(F)F 1469171714 FKDWZCLGFILDQV-HNNXBMFYSA-N 425.838 4.887 30 10 IJEE C=CC1(CC(=O)N2CCC[C@]2(C)Cc2ccc(F)c(F)c2)CN(C(=O)OC(C)(C)C)C1 1471259684 LAYWKMREAUUCGI-HSZRJFAPSA-N 434.527 4.702 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)c1ccc(F)c(F)c1 1476240149 CXEXYRQGMUOCMY-KRWDZBQOSA-N 441.356 4.753 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 1476729077 OZNNKFVYCWDILN-OAHLLOKOSA-N 448.336 4.801 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCCN(Cc4ccc(F)cc4Cl)C3)cc2n1 1477121032 ALKWHNQSJMVRJY-FQEVSTJZSA-N 441.938 4.801 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cn2ccc(C)cc2n1 1507516818 MXMVYXTWKXFBCL-ZWKOTPCHSA-N 448.958 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1CC 1507545991 HVYBOPKWSHEKKL-HAGHYFMRSA-N 429.609 4.634 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)S[C@H](C)C1 1507581244 SNRUDTACYPEXIB-OKILXGFUSA-N 437.382 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1507798983 QALIXSKYQKVWMP-AQCRLBJHSA-N 430.637 4.632 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1noc2c1CCCC2 1507823087 CPFPNYXUQFSPGR-UHFFFAOYSA-N 441.963 4.828 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCCN1CC 1507823580 LREWHJYOMSDNRN-JOCHJYFZSA-N 425.621 4.751 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1507831054 ZLDNKDNGKZJBSU-QGZVFWFLSA-N 445.995 4.544 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(Cc1ccnn1C)C1CC1 1507835335 VYQFPNIVHUOGSZ-UHFFFAOYSA-N 428.993 4.702 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCCCNC(=O)OC(C)(C)C)CC1 1507880422 ZCGVQGWQQYZNBV-UHFFFAOYSA-N 429.540 4.546 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1507898565 YUSHAIBCPPIGHH-QHCPKHFHSA-N 444.583 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1507917308 NNBQAWMEUZJVBH-UHFFFAOYSA-N 429.584 4.553 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCN(CC(C)C)C1 1507970785 OHVOQCHKINGPFR-VQTJNVASSA-N 429.584 4.547 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CC(C)(C)c1cccs1 1508005410 WRTVRHYNTOBYFU-UHFFFAOYSA-N 430.581 4.967 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC1=CCCCC1 1508038898 XFUBFLAWDRHIME-UHFFFAOYSA-N 448.409 4.575 30 10 IJEE C[C@H]1CCCC[C@H]1OCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1512139852 CRTRTDRUJFSDGL-WMZHIEFXSA-N 439.579 4.733 30 10 IJEE CCOc1ccc([C@@H](C)OC(=O)COc2c(Br)cc(C#N)cc2OCC)cc1 1521465443 ANWVVZVHHXUGKC-CQSZACIVSA-N 448.313 4.801 30 10 IJEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)c1C 1523316436 AKDUAQPHAIKEIW-UHFFFAOYSA-N 427.439 4.940 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3c(F)ccc(Br)c3C2)cc1OC 1523962243 LBBZJIQFVJYZQH-UITAMQMPSA-N 446.316 4.760 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)cc1 1524019916 DKDNZMAPCLSHII-LSDHHAIUSA-N 430.595 4.670 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cn3)cc2C1=O 1524160608 SVCUTUQXRHCRBY-UHFFFAOYSA-N 433.851 4.562 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)C[C@H]3CC(=O)Nc4ccccc43)c2)cc1 1525809837 HSACCYDJEMXONW-FQEVSTJZSA-N 425.488 4.786 30 10 IJEE Cc1ccc(SC2CCCC2)c(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 1527234340 GPERNWKCVKSJAF-UHFFFAOYSA-N 426.611 4.629 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC(=O)OC)c2ccc3ccccc3c2)cc1OC 1527910408 BUDGSUWFUYFOAS-GFJACMPZSA-N 445.515 4.847 30 10 IJEE C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C#N)cc1 1531747298 HHRXQIWGHCNQHH-MRXNPFEDSA-N 446.956 4.694 30 10 IJEE C=CCc1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)cc(OC)c1OC 1532925529 XUZDVTJTLBNOGS-QFIPXVFZSA-N 437.536 4.514 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(Br)cc2I)CC1 1534406640 ZDYLGZUGDZJYFS-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1)c1ccc(Cl)cc1F 1535504927 OUBOWBDPDCDGDR-QYWGDWMGSA-N 426.919 4.836 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)c1 1537134788 POXCGLCKGIKIQC-QHCPKHFHSA-N 438.527 4.653 30 10 IJEE C=CCN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1538618317 GPBZXKVDJYVSLB-SFTDATJTSA-N 433.470 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1CC(OCC)C1 1538975073 XHWVJVGMWUXAID-IRDVNMAFSA-N 430.980 4.735 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1C[C@@H](C)O[C@H](C)C1 1538984008 ZZNABXXYICFCRS-WNRNVDISSA-N 426.630 4.793 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Cc1csc(-c2sccc2Br)n1 1539617772 UNNNHYFSAYJGQP-UHFFFAOYSA-N 431.380 4.839 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2nnc(C)s2)CC1 1539874501 NKGXXBWKYLQGIZ-QGZVFWFLSA-N 438.601 4.646 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCNC(=O)OC(C)(C)C 1540053129 AWWBGPKMZAEEPM-MRXNPFEDSA-N 445.633 4.668 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccnc1)C(C)C 1540136964 OHZHOLBXYKUPNA-XZOQPEGZSA-N 449.574 4.949 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)cc1 1540140640 ZYSCPRUMQYUOJA-UHFFFAOYSA-N 437.613 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CC(=O)Nc1c(C)cccc1C 1540142138 IQYAIRWWEPEWRT-UHFFFAOYSA-N 446.580 4.783 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1540171992 MAEVSIOSIJVMDD-URXFXBBRSA-N 448.640 4.587 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCS2)C1 1540884798 UZNGFONSOWDPKM-OTWHNJEPSA-N 446.592 4.624 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2ccccc2F)C1 1540887057 PBSNJNDJEXNGAQ-LJQANCHMSA-N 441.938 4.547 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 1542792665 DWTHJBPRXDTAPW-UHFFFAOYSA-N 441.453 4.918 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)c3cc4cccc(C(F)(F)F)c4nc3O)CC2)c1 1543139996 RRILZGITJRBQLE-UHFFFAOYSA-N 441.409 4.514 30 10 IJEE C=CCNc1ncc(C(=O)N(Cc2ccccc2)[C@@H]2CCOc3ccc(OC)cc32)s1 1544833306 LXTPVLOZSCLKNU-HXUWFJFHSA-N 435.549 4.916 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1556981785 PQIJRHNLCZEGJY-GOSISDBHSA-N 444.620 4.833 30 10 IJEE C#CCN(CC(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1)C(=O)OC(C)(C)C 1557933216 VWNYREOQDJLKKI-KBPBESRZSA-N 445.507 4.788 30 10 IJEE C#CCN(CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)OCC)Cc1ccccc1 1559821304 VOTORZISGZKAJP-UHFFFAOYSA-N 446.572 4.974 30 10 IJEE Cc1ccc([C@@H](CC(F)(F)F)NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 1561445171 BPPXAWHTHZIRNB-MRXNPFEDSA-N 447.276 4.601 30 10 IJEE C#CCN(C)CCCNC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 1562128063 MYDLPHGVXATRTE-UHFFFAOYSA-N 432.387 4.677 30 10 IJEE COCCc1ccc(Oc2ccc(NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc2)cc1 1562363641 DVEFWBKAMDBOKR-UHFFFAOYSA-N 443.503 4.835 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C)c1I 1563401953 JUIMNDWCZDRKFC-UHFFFAOYSA-N 431.277 4.691 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCCc2ccccc21 1564363629 SDHCQRQKTVJKPT-JPYJTQIMSA-N 425.935 4.780 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 1586140484 WWPXBENQRKKSOM-YADARESESA-N 434.580 4.952 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1OCc1cccc(Br)c1 1586231338 DHZGMRCAVGQGPR-UWJYYQICSA-N 430.342 4.739 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1scc(Br)c1Br 1586548876 AWXBPLLZJYEIDW-GFCCVEGCSA-N 426.133 4.562 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)CCOc1ccc(Cl)cc1Br 1587189615 VPUIEHILOBEHED-UHFFFAOYSA-N 426.669 4.661 30 10 IJEE C=CCC[C@H](C(=O)OCc1cn(-c2ccccc2Br)nn1)c1ccccc1 1587241202 UVIRWUFCVWKUOI-SFHVURJKSA-N 426.314 4.823 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1sccc1C 1587600508 ZFNAQCSKXSABPH-GOSISDBHSA-N 438.597 4.811 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1587711606 BYGKKBOVNBMWBU-AVRDEDQJSA-N 436.581 4.785 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N1CCC(C)CC1 1588281000 VTSCIWZYWSCHEB-VQTJNVASSA-N 439.673 4.711 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCC(F)(F)C1 1588432854 JIUFDHCSMBUXEP-LJQANCHMSA-N 425.527 4.956 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1csc(C)c1 1588574384 GNOPNOUKXYESTP-HXUWFJFHSA-N 438.597 4.539 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC=C(C(C)(C)C)CC1 1589078161 IJXZDOKUKZHHDR-UHFFFAOYSA-N 430.568 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1589581356 RMVQWMXFXQFGLY-PNZHCHNOSA-N 430.637 4.804 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@H]1CCCOC1 1594692876 JKPLIJYGFHZAGL-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1cccs1)N(C)C 1594914112 XJXHDKABWQYZGH-KRWDZBQOSA-N 431.993 4.594 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO1 1595141393 HOFAAFJOKLUFJN-KCZVDYSFSA-N 442.579 4.707 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2N(C)CCCC2(C)C)CC(C)(C)C1 1612916638 DAYHBECGROPSPW-DENIHFKCSA-N 434.632 4.810 30 10 IJEE C=CCn1c(SCC(=C)C(=O)OCC)nc2scc(-c3ccc(C)cc3)c2c1=O 1613096743 HSRWDCCXKDNCEM-UHFFFAOYSA-N 426.563 4.831 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](OC)C(C)(C)C 1613822691 DRBRBWIORRFARF-OFVILXPXSA-N 439.604 4.611 30 10 IJEE C=CC1(CC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1616543722 ALMFFNYJKKNBGU-OAHLLOKOSA-N 426.479 4.738 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)c1ccccc1 1623183621 BXFAOEADAZYNGC-VWLOTQADSA-N 448.611 4.612 30 10 IJEE C=CCONC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1624259306 JBGBUFDBSOWQHK-DEOSSOPVSA-N 428.488 4.500 30 10 IJEE C#CCC[C@@H](O)CNC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1624786822 MDDUGCNREGGUOP-MRXNPFEDSA-N 437.487 4.526 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cn1c(SC(F)F)nc2ccccc21 1625927663 GITURTKMEZHHGE-UHFFFAOYSA-N 428.508 4.907 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]32)c1 1627583319 XTGFDTNGPMVIKZ-XWFZLUIHSA-N 444.984 4.640 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 1630066113 RPWQQVQNTJXLLG-KBXCAEBGSA-N 440.943 4.828 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCC1 1632774271 BLGUHHUSPUFZAG-UHFFFAOYSA-N 442.581 4.752 30 10 IJEE C#CCC1(O)CCN(C(=O)C/C(=C/c2cccc(OC)c2)c2nc3ccccc3s2)CC1 1633141119 RQTJMUBAVCCIJB-SILNSSARSA-N 446.572 4.612 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2cc(Cl)ccc2Oc2ccccc2CC)nn1 1636330963 QDVFLAGKKRVBBT-UHFFFAOYSA-N 439.947 4.814 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F 1638986809 IVJPSLJNILUPLD-WIYYLYMNSA-N 430.495 4.834 30 10 IJEE C=CCc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1640333513 MDXCYGWZKUZNBA-OAQYLSRUSA-N 437.536 4.514 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccc(F)cc2F)c1C 1640505362 GOOILMPJJVXDGX-KRWDZBQOSA-N 434.487 4.647 30 10 IJEE C=CCn1c(S[C@@H](CCc2ccccc2)C(=O)OCC)nnc1-c1ccc(F)cc1 1640689229 GAVRGAPJOIUMFF-FQEVSTJZSA-N 425.529 4.927 30 10 IJEE N#Cc1ccccc1OC[C@H](O)CN1CCCc2cccc(NC(=O)CC3CCCCC3)c21 1642144768 BECRTYSBZVZPKI-HSZRJFAPSA-N 447.579 4.660 30 10 IJEE C=CCn1c(SC/C=C/C(=O)OCC)nc2scc(-c3ccc(C)cc3)c2c1=O 1643334139 NYRCCGOLFYLGED-VOTSOKGWSA-N 426.563 4.831 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br)c1ccccc1 1643574400 IKNRLPAEIIJYGC-RTBURBONSA-N 443.341 4.506 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC23CCCC3)c1 1644527861 XIJKAFIXYHKUKB-UHFFFAOYSA-N 444.984 4.880 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 1646455239 HOCDPCJPKOYTAO-LJQANCHMSA-N 433.552 4.828 30 10 IJEE C=CCN(CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1cc(Br)ccc1F 1653289078 AEVKXPDFPBTRLY-QFIPXVFZSA-N 431.349 4.844 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccc3c2CCOC3)cc1OCC 1657748045 JCAZJIOIQWEGJS-UHFFFAOYSA-N 432.358 4.775 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1C(F)(F)F 1659821510 ADVIBOUCWBMXQI-UHFFFAOYSA-N 444.425 4.989 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)OC(F)(F)O3)cc1OC 1661027189 VLTJRRNIUVQXGV-UHFFFAOYSA-N 428.229 4.956 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2[C@H](C)C[C@H](c3ccccc3)C2(C)C)cc1 1667955813 FQSQJIHSKBUBRA-XMSQKQJNSA-N 441.597 4.682 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1Cl 1672569678 FHBBEQDXCMZSDU-UHFFFAOYSA-N 448.733 4.814 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2 1673581997 MWSLFNOWUGIYID-OAQYLSRUSA-N 427.589 4.749 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 1674481451 FCBAHLYYEPEBMW-CVEARBPZSA-N 425.382 4.887 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1680284862 VSYWBNRJKNEDBL-VERUCKTNSA-N 435.515 4.669 30 10 IJEE C#C[C@@H](NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 1683497756 ILWRCSOUVSUKRM-JWQCQUIFSA-N 433.571 4.832 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 1685564171 LSMCKABQCNBAAQ-RRPNLBNLSA-N 441.550 4.639 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1689842073 TXWRJEVNLTTWQT-IBGZPJMESA-N 445.567 4.566 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1689875226 NFCQDJYKZIWFAP-LJQANCHMSA-N 431.625 4.678 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C[C@H]1CCOC1)C1CC1 1689879610 BKELWZZSOJDXHB-OAHLLOKOSA-N 449.418 4.578 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(CCCCO)C1CC1 1689915257 VLQMYXOGDHBFSS-UHFFFAOYSA-N 428.989 4.968 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1689940136 ORERAEAGBNZLDK-JXFKEZNVSA-N 431.005 4.641 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](SC)C1 1690157768 OVSCHOKTMQMNMW-PXNSSMCTSA-N 448.633 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690209195 NOUIKLKYRQNYIN-XAUMDUMWSA-N 437.535 4.920 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)CCOCC 1690220860 CJQANWLCHSJQFP-UHFFFAOYSA-N 444.377 4.573 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccnc(SC)c2)CC1 1690377956 WVOMSJUNZAPELQ-UHFFFAOYSA-N 425.989 4.844 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1ccc(N(C)C)nc1 1690567906 UBQWDFZEDHMUCO-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1Cc1cccc(C(=O)NCC)c1 1690578459 YIIQCURIQLNMKF-UHFFFAOYSA-N 435.597 4.598 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1690740076 IJVAQAGBXZMLDR-HNNXBMFYSA-N 427.524 4.661 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1(COC)CCC1 1705502136 CILDOXJTAVTLIJ-FQEVSTJZSA-N 438.616 4.819 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCc2cccnc21 1705557921 CMTNQVHGAHVOLM-GOSISDBHSA-N 438.000 4.808 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCS1 1705607401 BUVNWJWNSOWMOI-CYBMUJFWSA-N 425.421 4.514 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1Cc2cccc(Br)c2C1 1705693570 ICNHNIINWHSKIV-LPHOPBHVSA-N 431.378 4.665 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(OC(C)C)c1 1705704141 QRPPKQUDNAMIFM-LADGPHEKSA-N 447.583 4.745 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(Br)s1 1705717699 PUJOSLFOKMEWDY-OAHLLOKOSA-N 439.423 4.641 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705786221 IYPHJIPZTPUMLY-RTBURBONSA-N 443.640 4.784 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1705812694 JEUBUKWMHLCALQ-IAGOWNOFSA-N 431.378 4.775 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705822511 HREXCECKIUHRRV-AEFFLSMTSA-N 449.393 4.590 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1705826038 LUTNMMVBOAHKAB-DEOSSOPVSA-N 448.615 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccnc(OC(F)F)c1 1705836808 GUVRDMVDFDHKDG-AWEZNQCLSA-N 445.539 4.798 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1CC(=C)Br 1705879164 OQPOJKHHDWYLAZ-UHFFFAOYSA-N 427.346 4.990 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)C1CC1 1705879409 XXRPNCSSHFCXLS-QHCPKHFHSA-N 444.938 4.727 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(OC(F)(F)F)cc2)C1 1705914379 ABPZDFXSQLVZCG-VQIMIIECSA-N 438.494 4.714 30 10 IJEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)CCCS2)ccc1OC(C)C 1711640856 HMJIWADZDRMXIL-UZUQRXQVSA-N 443.617 4.765 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](C)N(CC)CC 1722281746 VPLNKCJNEONVRG-ROUUACIJSA-N 436.629 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OC)CCCC1 1722389021 CNJCZBRTNGQWTL-LJQANCHMSA-N 436.625 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1cccnc1)C(C)C 1722393698 HUGQRAMDDWKXEQ-XMMPIXPASA-N 436.563 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1ccccn1 1722492720 UCWCRXCJAFPELU-XWGVYQGASA-N 431.584 4.833 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C)CC1 1722528999 RYEUFPGQDREENW-UHFFFAOYSA-N 436.556 4.946 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCSC2(C)C)CC1 1722569603 HKEDYEHLXMNQBO-SFHVURJKSA-N 428.602 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC2(CCC2)C1 1722584759 IVYVOSQKFCRPML-UHFFFAOYSA-N 432.515 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722585546 ACBLMXCNFFYZTA-GOSISDBHSA-N 442.007 4.696 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722595883 WXXVUAOQTRFNLF-NBGIEHNGSA-N 442.579 4.995 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCC(F)(F)F)c1ccccc1 1722597751 WGMRCTOGIXOOHJ-HXUWFJFHSA-N 446.521 4.888 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 1722604660 HUHODPRFDQHMEA-VQTJNVASSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCCCN1CCCCC1 1722632624 AIRCZHXMMZBBIW-UHFFFAOYSA-N 446.437 4.986 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccsc1Br 1722634035 IPRZFECAXIZBBW-UHFFFAOYSA-N 440.370 4.988 30 10 IJEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1722689296 RJPGCBIDUGHESJ-FCHUYYIVSA-N 447.583 4.619 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1723358698 FOBRDXBGLUMLIW-KNQAVFIVSA-N 449.521 4.783 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1740662847 XZDVBFJEZKXXLR-XMMPIXPASA-N 442.611 4.713 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN(CC(C)C)C1 1740665873 UAVQYTZRSTZKBV-SFHVURJKSA-N 431.987 4.565 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740711313 LYWOKEHNVORZER-MOPGFXCFSA-N 436.547 4.965 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1740756006 DVIUJRRLHNSWEW-RFWXGWTQSA-N 435.547 4.966 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](CC(C)C)C1 1740759472 JJJTVDDBKNPAET-LFAGZIFBSA-N 438.616 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCn1cc(C)cn1 1740769755 SSCZXIVUMVJPET-UHFFFAOYSA-N 443.393 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OC1CCCC1 1740771252 YEZFMBAFSFCKLF-UHFFFAOYSA-N 442.567 4.984 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1740834558 BITJBHGZQBIRHH-HXUWFJFHSA-N 432.616 4.730 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740866568 HZGYYQPVJNCVSB-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)SC)C1 1740975796 QJDGIEAPJSXFHG-UKRRQHHQSA-N 427.401 4.785 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(Cl)c(OC)c2)C1 1740983334 GLZZCMUENSISGH-FQEVSTJZSA-N 445.007 4.697 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1CCCn1nc(C)cc1C 1743928388 BMWKSOINGWCTIE-DEOSSOPVSA-N 445.615 4.854 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1(CC)CCC1 1748873527 SJKSASIRZLSCOV-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCC[C@H]1C 1749147509 KHORGSQEVLMHMQ-IERDGZPVSA-N 433.394 4.661 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC([C@@H]2CCCO2)CC1 1749277485 CZQRGCTWOPGZNO-FQEVSTJZSA-N 430.980 4.622 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCO1 1749386977 QMYNCGGIVPQTIY-SIKLNZKXSA-N 426.561 4.542 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCC[C@H]1C 1749530156 SZXBOMBTZVHAFP-IBVKSMDESA-N 438.616 4.763 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N 1750243671 HKDKMACYTOWORE-CHWSQXEVSA-N 428.389 4.511 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760141207 MWABVWLXRVKDOB-UGKGYDQZSA-N 431.411 4.887 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCS1 1760198767 OQXHWLWNBXFEQF-LJQANCHMSA-N 436.581 4.781 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCn1nc(C)cc1C 1760237671 QELWCSRKWRKKAZ-UHFFFAOYSA-N 448.615 4.518 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1csc(CC)n1 1760238757 IZLDCERCZBRNOX-UHFFFAOYSA-N 432.018 4.751 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)cc1F 1760333191 BMBCPDGTENQOAH-XMSQKQJNSA-N 439.510 4.544 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1760360518 FBPFMEDWVSBVIY-UHFFFAOYSA-N 439.604 4.856 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC=C(COC)CC1)c1ccccc1 1760419769 BTMXBYIBABNFHR-QFIPXVFZSA-N 449.624 4.777 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760432925 WCIVJJFUGZREHO-OXQOHEQNSA-N 445.489 4.924 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760434827 NUZLDCPXIQTTLL-QFIPXVFZSA-N 433.604 4.599 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CCC=C(Br)C1 1760443848 OJODOVKRMYYWFO-UHFFFAOYSA-N 447.377 4.711 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2cccc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1760444854 SSBCJIQZKYIZTG-QPPBQGQZSA-N 428.552 4.766 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](OCCC)CC2)cc1 1760529468 HKVRGWYKCCYKIW-QFIPXVFZSA-N 449.599 4.682 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760688191 CLAZTULCXOBULN-UJWQCDCRSA-N 445.995 4.871 30 10 IJEE CCCOc1ccc(Br)cc1C=NNc1nnc2c(n1)[nH]c1ccc(C)cc12 1772765320 NGAMZKKWHZUBNY-UHFFFAOYSA-N 439.317 4.812 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862412155 XWJLXHNJGDENIV-OAQYLSRUSA-N 439.389 4.588 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc2c(c1)CCCN2C 1862421633 MBNDLGSGISRWOK-QFIPXVFZSA-N 440.490 4.582 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862478771 QISGNIONNFNQCB-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 1862653346 QWQZBJKLSVNLPZ-GYCJOSAFSA-N 443.499 4.988 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCCCO)c1 1862662870 MNFYSAPRNPGTOO-HSZRJFAPSA-N 437.536 4.560 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1F 1862725941 VJKWAAMVAKATNE-IQMFZBJNSA-N 449.453 4.591 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H](C)CC)c1 1862756418 OJYWYEZIATYZOU-QVKFZJNVSA-N 438.480 4.760 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862879553 UURZFSXLXKZIRR-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCOc1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3F)C2=O)c1 1862916873 AFALOPFPQNPANT-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(F)c3)C2=O)cc1 1862968741 DAXPAOZILZFPKY-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(C3CCCCCCC3)C2=O)c1 1863239901 ULEQXPRQTUOKSN-UHFFFAOYSA-N 444.491 4.771 30 10 IJEE N#Cc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(Cc3ccccc3F)C2=O)cc1 1863492997 SEULXTYXVOOQFQ-UHFFFAOYSA-N 436.446 4.571 30 10 IJEE CC[C@H](C(=O)N[C@@H](CCSC)C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 1866953809 DOMQTUOVQDJFPM-PMACEKPBSA-N 429.973 4.582 30 10 IJEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868241809 CISWVVMSDYXKOL-JOCHJYFZSA-N 430.531 4.847 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1 1868727895 YDFAQZQZSGAYFK-OZXSUGGESA-N 440.534 4.972 30 10 IJEE Cc1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(OCc3ccccc3)cc2)cc1 1870141488 UAVYBYGBDMXCRO-LFIBNONCSA-N 435.487 4.678 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)cc1 1870145185 WHYYOGPWYHTNAM-UHFFFAOYSA-N 444.322 4.806 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CSc2ccc(C)cc2)cc1=O 1870299055 RZOQBEFHLWDGKQ-UHFFFAOYSA-N 449.572 4.721 30 10 IJEE Cc1ccccc1Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCCCC1 1870348313 SBRPVGSOEYELGC-UHFFFAOYSA-N 427.548 4.642 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOC(C)C)cn1CCCCc1ccccc1 1870540529 BMWALTZRUCWSFL-UHFFFAOYSA-N 438.612 4.849 30 10 IJEE CCCCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN(CC)CCO 1870549056 VWNDHYYWZDVAEV-UHFFFAOYSA-N 438.653 4.607 30 10 IJEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870811809 IAGCXOVVUMWJMN-UHFFFAOYSA-N 433.955 4.694 30 10 IJEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CNc1ccc(Br)c(C)c1 1870986480 ACXLNSDATIHABQ-UHFFFAOYSA-N 435.362 4.521 30 10 IJEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871254220 RKLOJTNBTNYZQQ-UHFFFAOYSA-N 441.535 4.978 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(OC)c1)C3=O 1871349227 KCECBJMMTLGLRU-HAHDFKILSA-N 436.552 4.504 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871441373 BEPWHYCMEFTUOP-FMCGGJTJSA-N 445.446 4.970 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1871986327 ZDVZPRBDRFIBEB-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872267578 IUKVXIBJFWAERL-PGRDOPGGSA-N 432.561 4.754 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872289910 CERMTWSURKLWJR-RDPSFJRHSA-N 442.625 4.858 30 10 IJEE C=CCN([C@@H](CCSC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872413944 UGODNWGNUDVTMN-NRFANRHFSA-N 446.638 4.549 30 10 IJEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(C(=O)OC)cc3)n2)cc1 1872768168 LKFVKDFVUWLNNC-JCRIEJSWSA-N 432.501 4.885 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@H](C#N)C(=O)c2cccc(OC(C)=O)c2)n1 1872788951 VEMGQIZGXHQECW-QGZVFWFLSA-N 426.881 4.887 30 10 IJEE Cn1ncc(N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c(Cl)c1=O 1873526096 MVVGMACFYGOJRL-NUGSKGIGSA-N 437.714 4.766 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cc3ccccc3)cc1)n2C 1873656032 JIGJZMDFGVWOEL-UHFFFAOYSA-N 437.547 4.990 30 10 IJEE CCCCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874476474 NNXFNMCVNMSBFQ-LPYMAVHISA-N 425.514 4.717 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)(C)C)cc1 1874483864 RNQWZPLWZKXYAC-ZVHZXABRSA-N 437.569 4.506 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(Cl)cc1Cl 1874526686 AWQRMNLZOPHDHC-ZVBGSRNCSA-N 439.324 4.701 30 10 IJEE CCCN(CCC)C(=O)COc1ccccc1/C=C/C(=O)c1ccc(OC)c(OC)c1 1874571884 LGZDSWQNTNKZOW-ACCUITESSA-N 425.525 4.627 30 10 IJEE COC(=O)COc1c(OC)ccc(/C=C/C(=O)c2ccccc2Cl)c1Br 1874594913 JRRYHIBUKGYBAV-VQHVLOKHSA-N 439.689 4.559 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1 1874607595 VKTODTNFGRNPNQ-DHZHZOJOSA-N 446.341 4.561 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccccc2C)c([N+](=O)[O-])c1 1874611320 HEBHKCVTZGBMGN-ACCUITESSA-N 446.459 4.825 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OCCCO 1874633612 LVGMSFXLZPGTPD-AATRIKPKSA-N 425.308 4.976 30 10 IJEE COCC(=O)Oc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)c(Br)cc1OC 1874716105 AZEHKFRMUUDXIS-VOTSOKGWSA-N 447.325 4.831 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1)c1cc(C(F)(F)F)ccn1 1890822645 YZJJPICNIKSUDK-UHFFFAOYSA-N 442.485 4.644 30 10 IJEE C#Cc1ncccc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1903692933 DOJZATFYZNFLRP-VWLOTQADSA-N 439.515 4.565 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 1990165778 JMKOFOOZEOFPJT-RTWAWAEBSA-N 434.646 4.869 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(C#N)(N(C[C@H]1CCCO1)C(=O)OC(C)(C)C)CC2 2030099444 DZSVRVCPQGDHLA-RDNZODCXSA-N 449.592 4.522 30 10 IJEE COc1ccc(NC(=O)COc2ccc(C=C3Cc4ccccc4C3=O)cc2OC)cc1 2040454739 DRLZJCXIMDUCCG-UHFFFAOYSA-N 429.472 4.544 30 10 IJEE C=CCC1(C(=O)Nc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2060609046 PWAGPCNBDUHKEL-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE Cc1cc(C(F)(F)F)ccc1-n1nc(C#N)c(I)c1C(F)(F)F 2079185185 MMODAVIBTCPRNX-UHFFFAOYSA-N 445.104 4.695 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(C)cc1Br 2116838283 GABZKHSBKRMSFE-AEFFLSMTSA-N 427.358 4.854 30 10 IJEE N#C[C@@H](C(=O)c1cc(I)ccc1F)c1cccc(Br)c1 2146604650 VTLAPIRYFQAHGN-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1Nc1cccc(Br)c1C#N 2162301036 KGXQQFPKZVGTBP-MOPGFXCFSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)NCCOc1ccc(Nc2cc(Br)cc(C#N)c2)cc1 2162420596 XJDPUWNODJQBPU-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(Br)cc2C#N)C2(CCCC2)C1 2174559918 OPXQIIPQVFXPGN-GOSISDBHSA-N 434.378 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2c2cc(Br)c(C#N)cc2F)C1 2174768632 DRKJFWDBQUAZCO-CXAGYDPISA-N 438.341 4.686 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1CC#N 2210488803 ZRAMBYFVWVVRFF-XHNVNVPESA-N 445.563 4.844 30 10 IJEE C#CCN(C[C@@H](NCCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2225599850 JDMOOHGXOANCNK-MRXNPFEDSA-N 431.321 4.638 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc(CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267569648 YWBJWCTXIKDUQZ-RTBURBONSA-N 444.381 4.547 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268995422 CJHHQUDOACZOIN-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CC1(C)OB(c2cc(OCc3cc(Cl)ccc3Br)ccc2N)OC1(C)C 2283011197 BNBQDTQJAKDINR-UHFFFAOYSA-N 438.558 4.563 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296219780 RHKAUJBDQOHBKA-LEAZDLGRSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(N)C#Cc1ccc(Br)cc1 2296222196 PPPWGYVSFFWZRC-XADJEIMESA-N 433.390 4.602 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296226869 JXQUXTMGVQDIQZ-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@@H](N)C#Cc2cccc(Br)c2)C12CCC2 2296289350 QODCMLPXOJJBHJ-NZSAHSFTSA-N 433.390 4.602 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 2296299023 QFOYYQKNTYWSNP-OXJNMPFZSA-N 435.406 4.957 30 10 IJEE CCCCc1ccc(N=C2NC(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)S2)cc1 2297462402 SFYNVLOMEPQXJY-UHFFFAOYSA-N 426.538 4.947 30 10 IJEE CC1(C)OB([C@H]2CCN(Cc3ccc(Br)cc3Br)C2)OC1(C)C 2303099453 OBUWWZVUTAUMDD-ZDUSSCGKSA-N 445.004 4.880 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 2314437923 AVOVVJVEZBTNLK-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE Cc1cc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1NC(=O)OC(C)(C)C 2319674249 JKAKKISSOFYTKV-QGZVFWFLSA-N 430.354 4.650 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2cc(OC)c(OCC(=O)NCCC)c(OC)c2)cc1 2323536733 FRSPWTOMXMUXSH-UHFFFAOYSA-N 439.552 4.848 30 10 IJEE CCOc1cc(C=Nn2c(SC)nnc2C(C)C)cc(Br)c1OCC 2323580702 ZUUUBJYYUYEFSL-UHFFFAOYSA-N 427.368 4.566 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)cc1OC 2325713660 BJSSKLVONHWMNE-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1 2325733717 MCJHXKZIUHAVCX-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1OC(=Cc1ccccc1)C2=O 2325744961 UZUZJFHLYWCTFW-UHFFFAOYSA-N 430.456 4.612 30 10 IJEE CCCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(OC)c(O)c(OC)c1 2326414322 JRMFXFHAZZDVRE-UHFFFAOYSA-N 440.569 4.745 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)cc1OCC 2326661119 FAFJYFQVRDLIQF-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(F)cc1 2326801720 DBNVQAQCDCZUCM-UHFFFAOYSA-N 426.517 4.721 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc([N+](=O)[O-])c1 2328906011 HIRJUTSBUBQGFM-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE CCSc1nnc(CCc2ccccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329480899 MMEYRETWINLQJV-UHFFFAOYSA-N 429.933 4.928 30 10 IJEE CCCCc1nnc(SCCO)n1N=Cc1ccccc1OCc1ccccc1Cl 2331353993 WPLPXBOUJKEDIM-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C(F)(F)F)c(Br)c1)c1ccc2c(c1)OCO2 2331440220 PXSKOUSEYQPBFX-UHFFFAOYSA-N 443.171 4.542 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCC)nnc1SCC(=O)Nc1ccc(C)cc1 2331637705 IYHAPALLZFUXMY-UHFFFAOYSA-N 449.580 4.717 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cccc(F)c1 2331695105 MPKTVFYPKVNZRA-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CCCCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC 2331894154 OXISHWMEPKMKBW-UHFFFAOYSA-N 428.481 4.713 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(Br)ccc2C#N)CC[C@@H](C)CC1 2362623722 XCECASBAYXFZKM-UWELNFAVSA-N 436.350 4.733 30 10 IJEE CC/N=C(/S)N(CCc1c(C)[nH]c2ccccc12)Cc1cc(OC)c(OC)c(OC)c1 8683906 UWQRASILOSESKX-UHFFFAOYSA-N 441.597 4.853 30 10 IJEE COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3c(OC)cccc3OC)cc1)C2=O 8823879 OWVWHWJOWGYHJK-XKZIYDEJSA-N 432.428 4.548 30 10 IJEE O=C(O)c1cccc(N/C(=N/Cc2ccccc2)N2CCN(c3ccccc3Cl)CC2)c1 46021833 FTHDYOPKTRWNBD-UHFFFAOYSA-N 448.954 4.829 30 10 IJEE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C(=O)N1CCCCC1 59766503 SPEGVDSPYAASBU-SFHVURJKSA-N 430.335 4.908 30 10 IJEE COc1ccc(NC(=O)N2CCC[C@@]3(C2)Nc2cccnc2N/C3=N\C2CCCC2)c(C)c1 96309842 CHYNNLTVHAAAIF-VWLOTQADSA-N 448.571 4.644 30 10 IJEE biogenic COc1c(Cl)cc(Cl)cc1/C=C1\S/C(=N/c2cccc(C(=O)O)c2)N(C)C1=O 100927797 IZETVTVHSQVVOL-LJLXHGTCSA-N 437.304 4.934 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 138826389 BVHHMHSSOLMHJK-KXSWNSJYSA-N 439.511 4.940 30 10 IJEE CCC(CC)c1nnc(S)n1/N=C\c1cc(Br)c(O)c(Br)c1 169910270 DVWJQXUEHMAKFF-IDUWFGFVSA-N 448.184 4.583 30 10 IJEE CCOc1cc(/C=N\n2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1ccc(C)cc1 169912761 HLMXBIQWCBFXDS-CFKHXJFWSA-N 438.553 4.587 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2cccc(C)c2)cc1 169969110 HISSYLMDDHVJFV-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2cccs2)=C(N2CCC[C@H](CO)C2)C1=O 170017683 XJEFPOPXKDCCDW-IBGZPJMESA-N 432.630 4.673 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(C)c2)c(OC)c1 170145321 BZSNSLCGSWRCEP-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(O)c1 170264077 SNKXCUWXBBMSNA-DEOSSOPVSA-N 445.515 4.939 30 10 IJEE CCN1C(=O)/C(=C\c2cc(C)n(CC)c2C)SC1=Nc1ccc(N2CCOCC2)cc1 252604364 FZCBKPBZVYXVQT-KGXUUABDSA-N 438.597 4.585 30 10 IJEE COc1cccc(-c2ccc(CNC(=O)CCCOc3ccc(C#N)cc3OC)cc2)c1 304014422 LJJUUCADLOHNAV-UHFFFAOYSA-N 430.504 4.718 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccc(F)cc1 441199595 DCVNAELDIMBWFL-JXFKEZNVSA-N 425.529 4.770 30 10 IJEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC2(CCCCC2)C1 442246105 XIZJWPVNHQQIFM-UHFFFAOYSA-N 439.503 4.832 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 508904966 XEXLZJSXBOTEJK-CRAIPNDOSA-N 445.976 4.600 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c(C)c2c1 527478122 XHLJYSWTYGXNOQ-UHFFFAOYSA-N 430.504 4.818 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(c2cnn(C)c2)CC1 549219556 LXNQJXYCBDYXGR-KRWDZBQOSA-N 440.979 4.765 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1 558932369 HUPANOBCBIXGRE-UHFFFAOYSA-N 433.581 4.757 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(CCOC)Cc1scnc1C 566037924 VLGHOQGIFZFJDE-UHFFFAOYSA-N 437.491 4.568 30 10 IJEE N#Cc1ccc(COCC2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 585222298 XACPXPLIBSPWKQ-UHFFFAOYSA-N 432.351 4.732 30 10 IJEE COc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586215192 TWRFWIYLUIMMSZ-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE CCOc1ccc(N(CCCC#N)S(=O)(=O)c2cc(C)c(C)cc2OC)cc1OCC 586218134 PBMDUUKLLBXRQP-UHFFFAOYSA-N 446.569 4.609 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(F)cc1F)[C@H]1CCOc2ccc(Br)cc21 733640301 RZCPBCMXTWNJBB-DJJJIMSYSA-N 449.295 4.957 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@]3(C)CCCN3C(=O)c3ccccc3)n2)cc1 735209261 XPGLTWFLLLHAJU-NBGIEHNGSA-N 445.544 4.690 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nnc(-c2ccncc2)n1CC(F)(F)F 735232732 BDLRDYLHVLNYSM-UHFFFAOYSA-N 439.850 4.750 30 10 IJEE C=CCn1c(SC2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1cccc(OC)c1 777933682 UNMHQWDCHLRQQZ-UHFFFAOYSA-N 430.574 4.631 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 814635488 CIRYMTPENIIHBC-LPHOPBHVSA-N 444.601 4.849 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OC(F)F)c3ncccc23)CCCN1C(=O)OC(C)(C)C 1125313782 YCAFCDUESRIHRU-QHCPKHFHSA-N 445.466 4.568 30 10 IJEE C#CCCCCC(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1128072631 UVGIFRBOXBTFGE-GOTSBHOMSA-N 426.601 4.945 30 10 IJEE C=CCc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)cc(OC)c1OC 1129290272 PIMADPSPKQNPIZ-UHFFFAOYSA-N 428.960 4.827 30 10 IJEE C=CC(C)(C)CC(=O)N1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1134015683 JADBXTQFGWOANT-OALUTQOASA-N 428.573 4.745 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)[C@@H](C)c2cc3ccccc3o2)s1 1142229455 MTNDGCLSFUSSHQ-INIZCTEOSA-N 446.594 4.501 30 10 IJEE C=CC1(CC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CN(C(=O)OC(C)(C)C)C1 1142331767 MTNYAXUGDIXZBI-UHFFFAOYSA-N 425.407 4.598 30 10 IJEE CC[C@@H](CC1CCCC1)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1144758548 HCNMMDRQHMAOME-GHTZIAJQSA-N 432.406 4.764 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)O[C@@H](C)C2)nc2scc(-c3cccs3)c2c1=O 1164510749 WHTOYPBUASSOTI-GJZGRUSLSA-N 447.651 4.574 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2cccc3c(Br)cccc23)[C@@H](C#N)C1 1170127246 GINRUXHUFWGURF-INIZCTEOSA-N 430.346 4.547 30 10 IJEE C=CCOc1ccc(CNc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CO)cc1OC 1178904185 ROGSOFWDXCWROG-AWEZNQCLSA-N 435.446 4.794 30 10 IJEE CC(=O)N(c1ccc(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1)[C@@H]1C[C@H]1C 1218460538 WJSBOCAYRSESPM-SMHULIPUSA-N 430.430 4.745 30 10 IJEE C#C[C@H](NC(=O)NCCn1ccc2cc(Cl)ccc21)c1ccc(Br)cc1 1248516933 CVIOBGPZFQOXJQ-SFHVURJKSA-N 430.733 4.731 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)c3c(F)cccc3-n3cccn3)c2)cc1 1264642019 CPIUZTXGBVNPBJ-UHFFFAOYSA-N 426.451 4.909 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cccc(COC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1264878092 OEMIQNCFEUDLPV-VWLOTQADSA-N 430.589 4.964 30 10 IJEE C=CCC1(C(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)CCCCC1 1269512039 UVUJEUFPVIYPEU-UHFFFAOYSA-N 432.520 4.827 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1ccsc1)N(CC)CC 1286282577 ODYPMZCPYWHHNN-XMSQKQJNSA-N 437.613 4.556 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(C(C)(C)O)c1 1286437166 BBYZPQKIYPMVDA-SFHVURJKSA-N 448.636 4.867 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286452713 KIAVQLINLCQILM-IAGOWNOFSA-N 436.478 4.619 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CC)CC1CC1 1286553388 QAIMDTJCAYQZMJ-JUXOCIIHSA-N 428.552 4.775 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC2(CCCCC2)C1 1286622756 KVMSZBMSCUQYDA-UHFFFAOYSA-N 433.965 4.862 30 10 IJEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N(Cc1ccc(OC)cc1OC)CC1CC1 1286624954 FIIUCXKQZMBRNS-UHFFFAOYSA-N 439.947 4.526 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nc(C)cs2)CC1 1286656300 VKUAAOGIZRBTMD-UHFFFAOYSA-N 431.512 4.762 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CC=CCC1 1286671163 SDMXUEVSUYMDQM-IBGZPJMESA-N 446.599 4.587 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286689343 MLRHDIZOGFBRPK-LJQANCHMSA-N 438.551 4.515 30 10 IJEE C=CCCOCCn1c(N(C)C[C@H]2CCCO[C@H]2c2ccccc2)nnc1C(C)(C)C 1286714790 WLTIAOYOBRHAPV-YADHBBJMSA-N 426.605 4.772 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCC(C)(C)CC1 1286798126 CHWGZAWTMFHPJW-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(C)nc2Cl)nnc1-c1ccc(Cl)cc1 1288356251 HVWJNXMWCKWLRW-UHFFFAOYSA-N 448.379 4.550 30 10 IJEE COC(=O)[C@@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 1288525160 HQWUQELVIGURTQ-CABCVRRESA-N 437.311 4.765 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccccc1 1290346856 PJAMTWUMQQRQGP-JOCHJYFZSA-N 434.536 4.733 30 10 IJEE C=CC1(CC(=O)N(Cc2ccccn2)Cc2ccccc2C)CN(C(=O)OC(C)(C)C)C1 1292835553 IJUZBRWHANVXOT-UHFFFAOYSA-N 435.568 4.732 30 10 IJEE C#CCN(C(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1298073490 OKQWBFQJQNNNGJ-VWLOTQADSA-N 430.548 4.660 30 10 IJEE C#CCCCCn1c(N(C)Cc2cc3ccccc3o2)nnc1[C@]1(OC(C)C)CCOC1 1300375942 CUPZXEVXGFENJP-VWLOTQADSA-N 436.556 4.505 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC=CCC1 1300521298 NRWKBIIVDPXSKB-NRFANRHFSA-N 426.520 4.546 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCSc1nccs1 1300620950 NCKVPXLSKUFHDN-UHFFFAOYSA-N 436.610 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccccc1F 1300886641 ZVEUOVXRGPEFAB-KKXYHZGYSA-N 428.552 4.837 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CCc1cnc2c(Cl)cnn2c1 1300907467 KIONYDLGKWIKJJ-UHFFFAOYSA-N 435.963 4.595 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCO[C@H]1C(C)C 1300924652 GMYFBHQQPLFWCS-XXBNENTESA-N 430.568 4.850 30 10 IJEE C=C(C)COCCn1c(N2CCS[C@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1301001324 HFZBHCKQGLVJCL-QFIPXVFZSA-N 440.657 4.919 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301028892 DFMFXLZHINBJOV-UTKZUKDTSA-N 432.996 4.984 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCc2c[nH]nc2C)CC1 1301065560 GDENFUOOSCHYDZ-GOSISDBHSA-N 440.979 4.892 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2C)CC1 1301097145 PWIOAWISVWEEBF-OYRHEFFESA-N 437.588 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1301155680 RMJKPFXAFLZPSU-UHFFFAOYSA-N 431.625 4.717 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1301168032 KLOAQUXSAFONCS-CYFREDJKSA-N 428.552 4.605 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCN1CC 1301351165 LOSPATAGVOXYGK-FYYLOGMGSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@H](C(C)C)N1CCCC1 1301351263 OBJPQMGIOFLZHJ-HSZRJFAPSA-N 425.596 4.998 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1c(Cl)cccc1OC 1301410184 AAYHBBUOMRGBDM-UHFFFAOYSA-N 437.931 4.812 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@H](C)C1 1301597551 SGQRWPZBAVBJGJ-HNNXBMFYSA-N 438.439 4.592 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cscn1)c1cccnc1 1302513072 HMHMZCFJZPOFBZ-JOCHJYFZSA-N 443.580 4.744 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccc(Cl)s2)on1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655738 JQIHYBVGQHKNMY-UHFFFAOYSA-N 449.960 4.531 30 10 IJEE C#CCN(C(=O)CC1CCC(C(F)(F)F)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656228 RRZKAYIUQZQXFN-UHFFFAOYSA-N 430.511 4.607 30 10 IJEE C#Cc1ccc(NC(=O)C2CC3(C2)C[C@H](NC(=O)OC(C)(C)C)CCS3)c(Cl)c1 1304273557 YKDYOSIDPZOKOM-JXORXQGFSA-N 434.989 4.829 30 10 IJEE CCc1ccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CC[C@@](F)(C#N)C2)s1 1305966711 FMAXFQNJQYALIH-HSZRJFAPSA-N 439.560 4.588 30 10 IJEE C=CCn1c(SCc2cc([N+](=O)[O-])ccc2Br)nc2sccc2c1=O 1307263703 IWJNAVNALMNDCH-UHFFFAOYSA-N 438.328 4.607 30 10 IJEE C=CC[C@@H](C(=O)OC)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1307454078 HJQLNRTZKCACOA-NRFANRHFSA-N 433.379 4.818 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1310001676 IEFDUZJSAGOGEX-OAQYLSRUSA-N 429.586 4.983 30 10 IJEE C[C@@H](C#N)CN(C(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1)C1CC1 1310854754 BDGWNNXAVIEYOI-LBPRGKRZSA-N 436.741 4.503 30 10 IJEE C=CCN1CCC(NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1310923917 KXBKYGCFDPUEQC-UHFFFAOYSA-N 427.364 4.748 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCc2c(OC)cccc21 1312245546 AACNGRBACMULKQ-IBGZPJMESA-N 433.321 4.982 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1348069142 UAGMMQWBMJHFOM-IBGZPJMESA-N 432.973 4.813 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1cccnc1C)c1ccc2c(c1)OCO2 1348804469 AWEAAPVYCOWALU-RAXLEYEMSA-N 428.488 4.930 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1351046979 NFNBLMXLLYGXSW-OAQYLSRUSA-N 439.581 4.880 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 1353401429 DVMFPEFUWFYYGL-BHIFYINESA-N 425.573 4.578 30 10 IJEE CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1354150607 FXSRCRUOMLHBMC-OAHLLOKOSA-N 430.335 4.981 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCCCCC1 1358906923 XRQKPQFMVIWXMR-UHFFFAOYSA-N 426.561 4.545 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC1CC(F)C1 1359077914 OFZDHMYOLPFRSX-HLIUYOAVSA-N 441.320 4.650 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)CC[C@@H]1C 1359096199 YBFKYBIGACCKAQ-XWQURZDVSA-N 440.588 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2cnn(C)c2)CC1 1359184705 XNHBGSOUPULVLH-UHFFFAOYSA-N 449.559 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1359187296 IJUYZXYKAICGRU-UHFFFAOYSA-N 432.528 4.734 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)CC 1359189528 NEHJVMHNVLOTOJ-RBUKOAKNSA-N 449.640 4.671 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1359202083 IKWRLZAFBOURJH-OALUTQOASA-N 434.588 4.514 30 10 IJEE C=CCCCCn1c(N2Cc3ccoc3CC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359206829 QHFVODRZCYWGLM-VWLOTQADSA-N 442.604 4.857 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(c2cnn(C)c2)CC1 1359210805 IHOKISKWMQVFRD-UHFFFAOYSA-N 440.979 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)cc1F 1359263551 DTXGBBCQAUXNEB-IBGZPJMESA-N 426.561 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1cccc(Br)n1 1359263779 LPQRTWOJZZDTOS-UHFFFAOYSA-N 446.418 4.937 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2C[C@H](F)C2)C1 1359314101 WCEIDIVKAIZRIO-VGUOSERISA-N 448.970 4.991 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(F)c(F)c1 1360787855 FJZHCCZKILMHST-PWAGRJGVSA-N 443.542 4.653 30 10 IJEE C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 1460457097 CEKYNJPPYBOIDC-LHSJRXKWSA-N 429.973 4.552 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1461528900 JQJXLGFONLSRIE-BKTFPUOISA-N 432.586 4.668 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(C(=O)N2CCC(C)CC2)cc1 1461562673 CNTLJXMYYGELDS-UHFFFAOYSA-N 441.369 4.945 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1464229579 DHZQXXRQPZRIOL-HLIPFELVSA-N 449.567 4.627 30 10 IJEE C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1466272904 CGRWNYUZBVLJDT-ZWKOTPCHSA-N 440.503 4.838 30 10 IJEE C=CCC[C@H](NC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1469468003 ILPOWRQFPQHFCV-DEOSSOPVSA-N 443.547 4.722 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OC 1470039160 SUDBCWUJYMPOJA-UXBLZVDNSA-N 445.441 4.827 30 10 IJEE C=CCCC[C@@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)c1ccccc1 1471590142 XVIXVRSOYZOACH-QGZVFWFLSA-N 440.887 4.967 30 10 IJEE N#Cc1cc2c(nc1SCC(=O)NCc1ccccc1COc1ccccc1)CCCC2 1472970873 AVGDOYYFTFYZFZ-UHFFFAOYSA-N 443.572 4.820 30 10 IJEE N#Cc1cc(Cl)ccc1Cn1nnc(-c2ccc(Br)cc2C(F)(F)F)n1 1473033770 ATJKKUVAFATCDK-UHFFFAOYSA-N 442.626 4.695 30 10 IJEE C[C@H](C#N)N(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccc(C(F)(F)F)c1 1473572745 GSYBEGWRQNEJAI-CYBMUJFWSA-N 427.373 4.660 30 10 IJEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(CC)CC)C1 1499574827 BUHXFEQNDOUDOV-SIKLNZKXSA-N 432.572 4.729 30 10 IJEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1 1504746747 GKWYBYMGRBCDMQ-UHFFFAOYSA-N 425.577 4.562 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@H]1C(C)C 1507525753 CVJJEVCTAXAQNP-SKPFHBQLSA-N 448.567 4.636 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)c1ncc(C)s1 1507661572 ZSXNILULFPBSCD-FQEVSTJZSA-N 443.620 4.780 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1CCOc2ccccc21 1507699146 BZSIITYQLRNKDZ-KJXAQDMKSA-N 436.600 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1ccnc(C(F)(F)F)c1 1507814754 DQPRMRNWDGLFLM-UHFFFAOYSA-N 431.462 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC=CO1 1507814997 AEYQTFWNBWAVNS-MRXNPFEDSA-N 435.341 4.942 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1csc(COC)n1 1507817785 QADGTFXDYLOHGX-UHFFFAOYSA-N 434.569 4.547 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1507827242 BTGALUZLHOKVNN-UHFFFAOYSA-N 437.632 4.949 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507846935 CFHSZJWMTPIOLF-UYAOXDASSA-N 436.522 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1507897659 QHFJWBCDAKRIPT-UHFFFAOYSA-N 443.592 4.896 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](SC)C1)c1ccccc1 1507924332 LOXXJPCXZNDTOJ-FSSWDIPSSA-N 426.630 4.864 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(OC)nc1 1507973434 DIGNIWVTQHFPKF-UHFFFAOYSA-N 435.528 4.887 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1C[C@@H](C)O[C@H](C)C1)C1CC1 1507987844 LTVWKCIGKBBVPU-KURKYZTESA-N 428.552 4.916 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1507996811 KKHRJQWSSBSOQF-RTBURBONSA-N 427.662 4.842 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1508046509 BFHVSKGNIHNJDY-UONOGXRCSA-N 425.396 4.597 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1508150337 CQASYYPNXPWLSL-IEBWSBKVSA-N 428.602 4.650 30 10 IJEE CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CCC#N)CC1CC1 1514463562 FEKHIUCEPPBJLQ-UHFFFAOYSA-N 432.366 4.646 30 10 IJEE CCO[C@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)C1(C)C 1516375282 CNHMDLTWACTUKL-MSOLQXFVSA-N 435.494 4.799 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3c3cccc(C(F)(F)F)c3)CC2=O)cc1 1518466989 CESSGIKDKFGLDW-NQIIRXRSSA-N 441.453 4.684 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)c1ccc(Cl)cc1F 1525070733 YZTNLOOGNZRBMH-CQSZACIVSA-N 432.623 4.947 30 10 IJEE C=CC1(CC(=O)N(C)[C@@H](C(=O)OC)c2cc(OC)ccc2Br)CCCCC1 1528728872 SPLVOMITWXPYNH-LJQANCHMSA-N 438.362 4.657 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCCN1C(=O)OC(C)(C)C 1529986502 MUPLOHNGUCNVIW-VWLOTQADSA-N 444.572 4.776 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1530642008 XRCWUKXJBUYOHY-LLVKDONJSA-N 429.380 4.846 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2cc(F)c(Br)cc2F)cc1OC 1532057819 WQSHEEUVTGAPDT-ALCCZGGFSA-N 438.268 4.630 30 10 IJEE C=CCO[C@H]1CCN(C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 1534784372 HYONXUMAECAQDL-PXNSSMCTSA-N 434.305 4.512 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1OC 1535366652 YUKXBECTZHTLKL-VRTRTELUSA-N 431.891 4.712 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)C(C)(C)C)cc1 1537697425 NWAJZXNMPKHBEZ-HXUWFJFHSA-N 438.543 4.961 30 10 IJEE CCOC(=O)[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1cccc(C)c1C 1537952136 AAKWFFXBOXVWKK-VWLOTQADSA-N 442.515 4.788 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(CCOC)CCCC1 1538975356 ZSQLCMNKEBHFCS-MOPGFXCFSA-N 428.552 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCCCC1 1539347679 XNAVOZNEZHEFNE-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H](C)CCSC 1539621374 RDDQTVQIJWIRMJ-LMNJBCLMSA-N 430.618 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](SC)C1 1539634761 CWQCQVSLHSBUTP-LSWJPFSZSA-N 444.620 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1539635452 GKPFHFUNMRMWFF-LQWHRVPQSA-N 429.634 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H]1CCO[C@H](C)C1 1539652209 OWWKPNOGYZHLQI-RTBURBONSA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1ncc(CC)s1 1539742289 ABUCAFDOGKERHC-UHFFFAOYSA-N 436.585 4.674 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1539752374 LGLBPAPRZHVSQW-OAHLLOKOSA-N 447.555 4.702 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCC)C1 1539820321 FECPFSJDZVXJMB-HNNXBMFYSA-N 445.778 4.922 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCCCC2)C1 1539952593 HFISDBXNIINFRL-RTWAWAEBSA-N 441.595 4.978 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC=C(C)C1 1540027800 BEJOAWMJOFDNGK-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@@H](O)C1 1540174244 JQCXSJNTIICBNG-RBBKRZOGSA-N 438.616 4.884 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC2(CCCC2)C1 1540920255 SMJLVIWUXCSBIX-UHFFFAOYSA-N 428.602 4.555 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCOc1ccccc1-c1ccccc1 1544160040 YTXNYBAZQKDQHE-UHFFFAOYSA-N 439.515 4.913 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nnn(-c2cccc(C(C)C)c2)c1CCC 1556558031 IHKVYEWSEOJIEG-UHFFFAOYSA-N 436.556 4.647 30 10 IJEE CCN(CCOc1ccccc1OC)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1557671291 HKZYJJSZALEPCV-UHFFFAOYSA-N 446.551 4.630 30 10 IJEE COc1ccc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cc1C#N 1558010904 BMFLNCRGCJYHNH-UHFFFAOYSA-N 432.427 4.502 30 10 IJEE COc1ccc(CN(C(=O)COc2cccc(F)c2C#N)[C@@H](C)Cc2cccs2)cc1 1559388846 CCZLOVOPZPSCNT-KRWDZBQOSA-N 438.524 4.806 30 10 IJEE C=CCOc1ccc(CNCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1OC 1560553986 CNQUEYDKPCUTCT-UHFFFAOYSA-N 438.568 4.843 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 1564343888 DMURUSRKTHTOLB-DEOSSOPVSA-N 445.954 4.664 30 10 IJEE C#CCN(C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)C1CCCCC1 1584125559 WRYNJYIPTVAYIM-UHFFFAOYSA-N 430.957 4.549 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1587813014 GUIZTCMMFUFUJR-FCHUYYIVSA-N 444.627 4.685 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)c2c(C)noc2C)CC1 1594430198 JCSKAMICFFHJEC-SFHVURJKSA-N 435.572 4.976 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CC(C)(C)CN(C)C 1595127414 OOECVRSGKSYDGX-UHFFFAOYSA-N 425.552 4.766 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CCCS1 1595171549 WMWPWTWEMOLIIG-QHCPKHFHSA-N 425.602 4.611 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1595343216 HOLGAEWGURGEMP-IBGZPJMESA-N 431.378 4.597 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)c1 1596422933 JMGSSOSBNAXTCQ-UHFFFAOYSA-N 440.609 4.648 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CCOCC1 1622721682 KNCWSMLTHSRATE-UHFFFAOYSA-N 437.418 4.798 30 10 IJEE C=CCC1(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(OCC)cc2)C3=O)CCCC1 1623973123 CHYWCNBSIBJNKI-UHFFFAOYSA-N 432.520 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 1624431474 DNAYNSUPGVXBFH-UHFFFAOYSA-N 443.547 4.781 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C(=O)OC)sc2ccccc12 1626965051 RYPJHCFRRCUPLP-KRWDZBQOSA-N 446.569 4.554 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Oc3ccc(NC(=O)c4ccsc4)cc3)n[nH]2)c1C 1628450013 XKGDGTUHWOEQHN-UHFFFAOYSA-N 447.520 4.609 30 10 IJEE C=CCN(C(=O)c1cnn(-c2cc(C)ccc2C)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1632978758 ZBCYLNJYCJHJHB-VWLOTQADSA-N 445.563 4.600 30 10 IJEE CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 1636178959 BSSLQVYWYAZDRB-QFIPXVFZSA-N 442.966 4.793 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc(Br)cc1O 1638814594 MPMOJFNQDHDOHF-UHFFFAOYSA-N 441.119 4.663 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)CCCN1C(=O)OC(C)(C)C 1642150307 YLQSTDHLLLNVDB-JOCHJYFZSA-N 432.471 4.639 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 1645352704 ZKTVWXVPFSIMLR-QHCPKHFHSA-N 448.364 4.728 30 10 IJEE C#Cc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c(Cl)c1 1648155610 JPFJQGCMERJRHM-UHFFFAOYSA-N 430.938 4.744 30 10 IJEE C=CCn1c(SC[C@H](C)NC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652349280 TVRQAXDLCGTBRS-KGLIPLIRSA-N 449.642 4.774 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)C1 1654840268 GKEGNMLUNUNQES-INIZCTEOSA-N 444.984 4.919 30 10 IJEE C=CCn1c(SCCOc2ccccc2OCC)nc2sc3c(c2c1=O)CCC3 1656058204 OJDPSJGJRVEOQU-UHFFFAOYSA-N 428.579 4.703 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C)C(C)C 1659858221 VTWKFMWJFVPIGQ-QFIPXVFZSA-N 442.604 4.804 30 10 IJEE Cc1ccc(-c2ccccc2NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 1664037473 FPBLEHMIFYPUAZ-OAQYLSRUSA-N 430.533 4.518 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 1665108691 ACYCYJQYONNBPR-OAQYLSRUSA-N 444.965 4.618 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 1666383597 HQAFFRDOENAODS-PXNSSMCTSA-N 426.586 4.903 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCc3c(Cl)ccc(Br)c3C2)cc1 1668210832 ZILUVFRNLCTPMP-UHFFFAOYSA-N 448.748 4.609 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)cc1 1668388960 CRAQBFQPJFFYLZ-GOSISDBHSA-N 448.542 4.884 30 10 IJEE C#CCN(C(=O)Nc1cc(C(F)(F)F)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1668731537 HVMFRPBHRFMFEC-UHFFFAOYSA-N 443.441 4.711 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)ccc1OC 1668881915 FXYZSHKPTUAFPN-RXVVDRJESA-N 447.539 4.689 30 10 IJEE C#CC[C@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC)c1ccccc1 1669003981 IMHXTFBUYLSSIR-AZGAKELHSA-N 444.531 4.866 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 1669275579 BMJCFLJOFRBBEG-UHFFFAOYSA-N 429.520 4.658 30 10 IJEE C#CCC[C@H](O)CNC(=O)Nc1cc(Br)ccc1Oc1ccc(Cl)cc1 1669605061 VQYJPXYIOZQBLI-HNNXBMFYSA-N 437.721 4.791 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1669695481 IRJMIDZVVCSATI-JOCHJYFZSA-N 444.572 4.897 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(N2CCOCC2)ccc1Br 1671941475 RTTGCTKAVNDRCV-SFHVURJKSA-N 444.373 4.595 30 10 IJEE C=C(CNC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)OCC)c2)c1)c1ccccc1 1672006187 BXLPEJWYNLXOPK-UHFFFAOYSA-N 443.503 4.951 30 10 IJEE CC(C)Oc1cc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccn1 1674166484 AWSMIGOWFNGAED-UHFFFAOYSA-N 434.471 4.780 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 1678356500 XRFUWWNFYWUJHL-CQSZACIVSA-N 439.350 4.600 30 10 IJEE C=CC[C@H](CO)CNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 1684301772 SGNXNCQYYKHQOB-VBKZILBWSA-N 425.331 4.900 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(Br)c(F)c1F 1684371363 CFYXMNGBNMJIRT-UHFFFAOYSA-N 441.320 4.793 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1689894862 ADSKPVDMPJIJIW-NQIIRXRSSA-N 435.374 4.832 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1689938803 WRSDHLZMUPFFSM-QHCPKHFHSA-N 438.616 4.819 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cccnc1OCCC 1689976215 AVEWRSWQSMOAHL-UHFFFAOYSA-N 441.988 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCc1sccc1C 1690034874 VEJDNCJFMLQMQG-UHFFFAOYSA-N 428.605 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC)C1 1690249608 ZUBWJOIPADWBAX-RRPUWOKSSA-N 445.007 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCCn1ccnc1C 1690260512 NHQHCLLKBRMKFZ-UHFFFAOYSA-N 443.393 4.705 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)C)C1 1690344736 YOULEUZOJVXGDX-ROUUACIJSA-N 438.016 4.627 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(CCC)CC2)CC1 1690384619 YZEJGIBTGVEAKT-KDURUIRLSA-N 429.609 4.786 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1690497412 PGIWEZJKKFZIMR-IECBHUPTSA-N 428.552 4.919 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CCCC1 1690567516 GNIHBYGFAQUDRM-RUZDIDTESA-N 442.579 4.842 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21)C(C)C 1690581509 TWUJKBVJMURLJO-XWVZOOPGSA-N 436.648 4.987 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1692958205 DSEQSOSNAZEIFQ-QFIPXVFZSA-N 440.473 4.846 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCc2nc(C)c(C)s2)cc1 1694503522 HTGFEGTYPLAAEB-UHFFFAOYSA-N 434.613 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C(C)(C)C)cs1 1705484410 OJNMIBWOOCTXAL-ZDUSSCGKSA-N 431.968 4.998 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOc1ccc(F)cc1 1705505159 HDMPADJGFBQAII-STZQEDGTSA-N 442.579 4.653 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705518379 PNOGXGAEYYKPHS-JOCHJYFZSA-N 436.991 4.672 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@](C)(OC)C1 1705520684 BYRHJBVAESBDTL-AREMUKBSSA-N 438.616 4.963 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1CCCCC1 1705593873 XDWWUNNPJFWFDZ-UHFFFAOYSA-N 434.584 4.784 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(OC)cc1OC 1705689936 DYCQWLLXBNDKCF-UHFFFAOYSA-N 449.393 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705708724 GKEOKVLFKFWYAS-GFMPLVLUSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCc1cc(Br)ccc1F 1705715275 ZDUZYSBOHBDFOI-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nccn2C(F)F)CC1 1705764553 DELGNZYTBUPYLT-UHFFFAOYSA-N 449.303 4.504 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(SC)CCC2)CC1 1705779184 YTPCJAXEWCSZBF-UHFFFAOYSA-N 428.602 4.650 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H](C)c1c(C)noc1C 1705861599 JWGSMYGWTZIESH-IBGZPJMESA-N 442.567 4.865 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@H]1CCO[C@H](C)C1 1705879536 CQABZOOGISRZOL-MOPGFXCFSA-N 426.586 4.574 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)S[C@@H](C)C1 1705948225 LRAZPTREIUGAJE-ROUUACIJSA-N 427.643 4.531 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCc1csc2ccccc12 1706461458 BEQMPKIYUOQJGC-UHFFFAOYSA-N 447.612 4.902 30 10 IJEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCCC(C)(C)C 1712008365 DZXOGMHWHSXAEV-XMMPIXPASA-N 425.577 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C1CCCCC1)N(C)C 1722290300 DBRCWTQWPJYCAB-XXBNENTESA-N 446.599 4.569 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C)[C@H]1C 1722325561 AJUZYIQJJQAZEY-KGLIPLIRSA-N 437.382 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H]1CSC 1722495921 IMZONEQBFAYSMO-IHPCNDPISA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H](C)c1ccco1 1722506353 ULURTESVJIUXCM-SKPFHBQLSA-N 436.556 4.937 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@]2(CC=CCC2)C1 1722518834 PLZWFYYFMPJNBI-OAQYLSRUSA-N 430.394 4.949 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722562623 GGFGUZVLAUYBSP-LJQANCHMSA-N 444.023 4.884 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCOC(F)(F)F)CC1 1722575676 RPMOXHQJTCMWMS-UHFFFAOYSA-N 444.885 4.936 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ncccc2C)CC1 1722576426 NZOZDTHXIQOPFT-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722585592 BSYIOILGUSZLHY-FQEVSTJZSA-N 440.979 4.512 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(C)COCCO1 1722595767 UPWUFOVCWUFIFI-AREMUKBSSA-N 449.599 4.790 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722598125 XTBYLSSJESAJKW-ZWKOTPCHSA-N 433.547 4.822 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](OC)C(C)(C)C 1722632376 RAYOWMXPXTZOSS-MRXNPFEDSA-N 425.346 4.530 30 10 IJEE CC(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1723235547 CWIWTUQIOKULAF-LAUBAEHRSA-N 445.970 4.929 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1726821159 BTFJFVPKRZJGSD-HFJWLAOPSA-N 445.567 4.809 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)CCC(C)C 1740540803 ZJIBIGHBQAIACW-YTZAWJCFSA-N 428.646 4.777 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1740572424 KZZNTGHQRFALMH-HXUWFJFHSA-N 432.572 4.947 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1740604828 LPODEDUIZBOAPK-QGZVFWFLSA-N 433.625 4.942 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCC[C@@H](C)C1 1740663267 DXOTWHQLDQYEHT-HSZRJFAPSA-N 433.644 4.720 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC(F)F 1740753273 HMTNSMHWTIKDRI-MAUKXSAKSA-N 442.457 4.619 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)CC[C@H]1C 1740789395 KMEZGCIQAYELJL-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCCC(C)C)CC1 1740823594 HRSOVMAIGHEJGY-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2nc(C)cs2)CC1 1740869203 FNYZVXHSOHGPAT-UHFFFAOYSA-N 446.983 4.795 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCOCC1)C1CC1 1740907828 ZWQJVBBGZZEIHW-UHFFFAOYSA-N 431.378 4.597 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCc1ncc(CC)s1 1740914612 IELIFECOQGYNMX-UHFFFAOYSA-N 434.613 4.901 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C2CCC2)CC1 1740942933 STHYVPDXIDQSGV-SFHVURJKSA-N 429.996 4.549 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC(OC(C)(C)C)CC1 1741004942 AOHQJRMMACJGBD-UHFFFAOYSA-N 428.646 4.766 30 10 IJEE CC(C)c1ccccc1OCCn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1 1741322220 FGGISXTYGOLQFP-SANMLTNESA-N 444.583 4.596 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)C1 1741623283 CFCBWKYHIWKVQO-FQEVSTJZSA-N 441.023 4.849 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2Cc2ccoc2)cc1 1746833463 FTJRDWLESDCJJW-SFHVURJKSA-N 435.528 4.588 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(OC)CCCCC1 1748650701 CMYDUURRHKIFNQ-CQSZACIVSA-N 437.407 4.576 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1748701935 UGRSGOKARANRAH-AREMUKBSSA-N 446.599 4.780 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1748724836 JSKXUJQIFQZPSG-FQEVSTJZSA-N 425.646 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](OC)C(C)(C)C 1749056592 MDMDKFPDZLNTNL-WZONZLPQSA-N 432.515 4.600 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccccc1 1749129288 BZRSNPXTAIANBV-OFNKIYASSA-N 426.605 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1OCCC1(C)C 1749147625 LLBSVKAWZLOSTM-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccoc1C 1749194245 YQMNHQXFHXFOON-UHFFFAOYSA-N 429.565 4.507 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2nc(C(F)(F)F)cs2)CC1 1749341591 JKWIQKYFFSZMDU-HNNXBMFYSA-N 441.523 4.640 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1749345684 QUTUWETVWHSVDC-SFHVURJKSA-N 437.613 4.812 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1749367631 XVRKGTPACDUDQB-UHFFFAOYSA-N 438.576 4.773 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 1749385006 LCFQXKPHGYSUKY-YADHBBJMSA-N 432.616 4.954 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C)nc1 1749387251 WGTMDGZIQNKMCJ-HSZRJFAPSA-N 433.556 4.725 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2ccccc2)CC1 1749397592 ZXXGYOHUVVCGCA-UHFFFAOYSA-N 430.600 4.717 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1749417823 QXUMYCWUBMWURQ-UHFFFAOYSA-N 437.632 4.951 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1749442115 NDRGCODAGFHNSB-HSZRJFAPSA-N 442.579 4.529 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1Cc1oc(CC)nc1C 1749532001 OZIPMZAOJMCXKA-UHFFFAOYSA-N 432.572 4.838 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCOC1CCCCCC1 1749532074 PXUUJWOKJLHYHJ-QHCPKHFHSA-N 449.599 4.586 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCC(=O)N1CCCCCC1 1749539247 XHPNWNLWJWQDSS-UHFFFAOYSA-N 435.616 4.921 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1CC(F)(F)Br 1749584206 JMXMYDWLPVMVFD-UHFFFAOYSA-N 425.321 4.768 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS1 1749586498 XLOZLHKFKPAIIF-NRFANRHFSA-N 439.654 4.765 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC(C)(C)C1 1760098248 QGYXPOCSZUPWRX-UNMCSNQZSA-N 437.632 4.615 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)SC 1760103903 NSNGCIJSRIMDDN-GFCCVEGCSA-N 441.826 4.961 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@@H](C)C1 1760197713 HLPRTOLHIQHGFJ-CVEARBPZSA-N 445.792 4.870 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCC1(C)C 1760243491 MEQAHPKQWWRSIA-QFIPXVFZSA-N 431.559 4.869 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1760278217 NDDKHADXMYYGLX-HXUWFJFHSA-N 437.638 4.769 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)c1nc(C)cs1 1760331771 YBAYLJOMIOWVCM-INIZCTEOSA-N 441.601 4.933 30 10 IJEE C=C(C)COCCn1c(Nc2cnn(C)c2)nnc1-c1sc2ccccc2c1Cl 1760360934 OWYTYZIDZSIFPC-UHFFFAOYSA-N 428.949 4.883 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1760375153 GIVQTZAZGGFVJE-JOCHJYFZSA-N 444.023 4.621 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2[C@H]2C[C@H](c3cccc(F)c3)C2)CC1 1760397246 PFVRWFQFDBOYPB-XJABCFGWSA-N 428.552 4.662 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1760424488 JLAOORGONZVSFX-LJQANCHMSA-N 440.523 4.525 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1cccs1)N(C)C)C1CC1 1760476957 LQGKYWDDSWZCFF-FQEVSTJZSA-N 443.567 4.666 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)COC 1760482060 QUFUVWWVTVUCIW-MRXNPFEDSA-N 444.377 4.511 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CCc1nc2c(s1)CCCC2 1760497055 PXWXXBMSFOJBFR-UHFFFAOYSA-N 425.627 4.687 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1Cc1ccc(Cl)s1 1760499381 WRGQAOHLPVSQAV-UHFFFAOYSA-N 436.972 4.733 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1760973577 ABIAJVNUWHWWDT-RFWXGWTQSA-N 432.572 4.683 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)C1 1764346975 IAZZSNLRLUCOIM-LJQANCHMSA-N 439.507 4.608 30 10 IJEE CO[C@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1770579432 CXDLGUPWXFYGOG-MJGOQNOKSA-N 441.988 4.983 30 10 IJEE O=C(O)c1ccc(N=C2S[C@H](Cc3ccccc3F)C(=O)N2Cc2ccccc2)cc1 1772728174 QQOAMFHHZQDSGI-OAQYLSRUSA-N 434.492 4.898 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=Nc1ccccc1C(=O)O 1772762662 MLMAJTMXYIYJSJ-ZOAXWHFDSA-N 438.505 4.582 30 10 IJEE C=CCN(CC=C)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 1860169532 SOKBTNUVTUSZKZ-VWLOTQADSA-N 443.547 4.562 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862434459 ZCZKDPVYEWIIBN-OAQYLSRUSA-N 447.874 4.817 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862474792 VGJSJRNCXCJBQF-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc2cc[nH]c2c1 1862490919 HMPCXFWYMSYROB-XMMPIXPASA-N 445.563 4.705 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccccc2Br)ccc1F 1862509769 PCROMONJFLPEKW-SFHVURJKSA-N 432.289 4.883 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2ccc(C)cc2)cc1 1862555377 DJDGWGDWEUEZNL-VWLOTQADSA-N 440.543 4.961 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 1862604570 FJGURRZDRMFMFD-OSPHWJPCSA-N 441.483 4.797 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2cccc(O)c2)c1 1862698990 PRIBVUHDPWIDCP-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 1862735661 PSOWGNUIHDBJIT-OAQYLSRUSA-N 432.407 4.512 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccccc2C#N)C1=O 1862885496 WLPRUMCDSIXFAZ-UHFFFAOYSA-N 437.499 4.889 30 10 IJEE Cc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)cc1C 1862938279 VXMHOSQPFGEUGN-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863331949 VNGCMKBIBYJQRT-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863336438 GITZIKOSTJBTPQ-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1cccc(C)c1 1864860921 BTJWJENUAJGIPK-OAQYLSRUSA-N 442.563 4.511 30 10 IJEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)C(c1ccccc1)c1ccccc1 1870105246 IGRDKWKDHMIPAC-UHFFFAOYSA-N 427.895 4.622 30 10 IJEE C#CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871008715 JWSPDGJXXTXHRF-UHFFFAOYSA-N 429.303 4.533 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(CCCC)cc2)cc1=O 1871010980 VCXDFLBRROOLIS-UHFFFAOYSA-N 430.548 4.872 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871368233 AOANQPPRQUONOG-UUYOSTAYSA-N 436.847 4.949 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872071049 HMOHGIHZPZWGHZ-QHCPKHFHSA-N 438.524 4.691 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872549964 LCRMHVPULAFCRN-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(Cl)ccc1OC 1872604925 HYBIPYSKYHYOTO-GOSISDBHSA-N 447.041 4.518 30 10 IJEE CC(C)(C)c1csc([C@H](C#N)C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 1872768296 OWKVLFRTCPVVTO-GOSISDBHSA-N 429.501 4.731 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2cccnc2)C1=O 1873081173 WDOKJQLXORADIQ-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE N#Cc1ccccc1Nc1[nH]c(=NCCc2cccs2)nc2c1cnn2-c1ccccc1 1873477576 RTTFFNDKAXIPOS-UHFFFAOYSA-N 437.532 4.569 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(C)Cc1ccccc1)n2Cc1ccco1 1873564266 RYSFGMZWPRAYAB-UHFFFAOYSA-N 441.535 4.523 30 10 IJEE CCOc1c(/C=N/n2c(COc3c(C)ccc(C)c3C)nnc2SC)cccc1OC 1874253066 JECPSUMPCZDVIG-ZMOGYAJESA-N 440.569 4.794 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccc(OCC)c1 1874261182 MIVXUFHUXIKFTG-ZMOGYAJESA-N 430.480 4.694 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874264891 POAVMKPUUWVABM-SRZZPIQSSA-N 447.904 4.509 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccn2C)c1 1874309167 IXQNENPTTOXFRA-WGOQTCKBSA-N 449.555 4.724 30 10 IJEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874353062 PEQHENAEJYVPIH-VULFUBBASA-N 433.512 4.704 30 10 IJEE OCCCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)cc1Cl 1874374186 LAJPOKYBPGEONI-CIAFOILYSA-N 441.409 4.788 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(C(C)C)cc1 1874414954 RFNPJLVCEBKYOQ-OEAKJJBVSA-N 442.610 4.981 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(Cl)cc1 1874424310 FFHYMIKLYUMBMA-UFFVCSGVSA-N 434.974 4.834 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@@H]1CCCO1 1874445621 GTVYVTPCWUOFOO-BOJFNEGLSA-N 434.565 4.911 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1c[nH]c2ccccc12 1874514868 KQCLUQYISGIOIP-ZVHZXABRSA-N 426.590 4.506 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1c(F)cccc1Cl 1874529135 TXCGNZGVXINJNF-BHGWPJFGSA-N 445.951 4.863 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OC 1874593978 LIDMZWKHNLNOEP-ZRDIBKRKSA-N 431.488 4.926 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] 1874618843 VVDLLNVTFYOUOB-UXBLZVDNSA-N 442.487 4.966 30 10 IJEE Cc1cccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1C 1874621390 VBWFYCMAXIUXTC-XYOKQWHBSA-N 429.472 4.946 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2cc(/C=C/C(=O)c3ccccc3)ccc2OC)c1 1874700801 NHVQWRBUUNSMOZ-FMIVXFBMSA-N 432.472 4.757 30 10 IJEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 1874707784 WUTDUSQIPDDUBF-XYOKQWHBSA-N 430.456 4.858 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)CCCSC 1875115972 DJNAGHUENHXSAS-WUXMJOGZSA-N 429.494 4.938 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1sc(Cl)cc1I 1889589304 PIXVJOXLLDSJJG-SECBINFHSA-N 426.707 4.828 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1944735234 XMQCBFBSTUJIRY-AEFFLSMTSA-N 431.533 4.586 30 10 IJEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1nc(Cl)nc(Cl)c1Br 2023595474 BCBNQNKPOBORLJ-SECBINFHSA-N 441.153 4.642 30 10 IJEE CC1(C)OB(c2cc(NC(=O)C3CC(OCc4ccccc4)C3)ccc2Cl)OC1(C)C 2042204940 DFMGSTQQYJURTD-UHFFFAOYSA-N 441.764 4.573 30 10 IJEE CCOC(=O)c1sc([C@H](C#N)C(=O)CSc2ccc(Cl)cc2)nc1C(F)(F)F 2084272966 KULQIGAGIIVMIV-LLVKDONJSA-N 448.875 4.961 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCCC 2110503543 KQDKLUGALMVTDF-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111259031 NILHUWDDZJAIEL-MSOLQXFVSA-N 443.813 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(C#N)cc2Br)C1(C)C 2181106347 VFXZOXDHMLORDA-CQSZACIVSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(c3cc(Br)ccc3C#N)C1)C2 2199682683 NPWXLAIXULRYCQ-VFNWGFHPSA-N 434.378 4.842 30 10 IJEE C#CC1(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)C1 2244947732 WGGQKDNZQSEOSM-GPYVYJEHSA-N 444.575 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(Cc2ccccc2)CC1(C)C 2262207774 UOEMNFDMJALGDL-MHZLTWQESA-N 437.580 4.922 30 10 IJEE CC1(C)OB(c2cc(NC3CC4(C3)CC(OCc3ccccc3)C4)ccc2N)OC1(C)C 2267837336 IUMRFTVRJATQKB-UHFFFAOYSA-N 434.389 4.508 30 10 IJEE Cc1cccc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2268613736 YCGGCDCCRZHOSI-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE C[C@@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)c1ccc(Cl)s1 2281943886 AWTZWUAUGIXIBY-SECBINFHSA-N 432.203 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccccc2Br)C[C@H]2CCCC[C@@H]21 2288414132 PYQMBHDHRQUZMQ-HYFFOGBASA-N 432.358 4.843 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2296219311 MRVZMTZSINTNPI-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE Cc1cccc(NC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)c1 2297378340 CDIXSRADUKSZFR-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccc2)cc1OC 2297745474 IDVCDEYAMYUPJG-QHCPKHFHSA-N 429.472 4.639 30 10 IJEE CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=Nc1cccc(C(=O)O)c1 2314548552 VBFABFCLPUJUAN-UHFFFAOYSA-N 449.444 4.787 30 10 IJEE CCCN[C@@H](C#Cc1ccn(C2CC2)n1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2318161287 JXKIMMNTUKHRLK-QFIPXVFZSA-N 436.600 4.765 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CC2)cc1 2320842474 BMDQOQPEPZPZMS-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE CCCCOCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc([N+](=O)[O-])c1)C3=O 2322145441 FBLWRNMOCDDNAO-UHFFFAOYSA-N 438.480 4.570 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2322687712 BFSZJWSYMOXCPY-UHFFFAOYSA-N 429.472 4.905 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)Cc4ccccc4)ccc3C1=O)cn2C 2322884554 NOKKYXFKDJWMKZ-UHFFFAOYSA-N 439.467 4.951 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)NC3CCCCC3)c2)cc1F 2323201784 PMZZEFVHEBAEEW-UHFFFAOYSA-N 441.499 4.567 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2C1=O 2323273817 FDBIDBVPSWCUTF-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OCC(=O)NCc1ccco1 2323854404 VZFZRPSCUHRZOW-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE Cc1ccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2F)c(Br)c1 2325702869 CITBKIURJJCTMW-UHFFFAOYSA-N 441.094 4.880 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325714382 QKPAGJCKGMCUNZ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)c1 2325715072 XZQCOPOPCZFGCH-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(C(C)C)cc1 2325915114 JZTHHEYBEPVFKQ-NRFANRHFSA-N 433.581 4.522 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2327760039 KCWFINSIAQTAEA-PKTZIBPZSA-N 444.616 4.544 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccc[nH]2)cc1 2330074612 VMWAFDBHUZQARG-GOSISDBHSA-N 444.564 4.679 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2cc(Cl)ccc2O)cc1 2330889265 LBLYNCPDNJSXMQ-IBGZPJMESA-N 428.945 4.972 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)cc1C 2331172828 GTAWPQIRCJTLBH-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2N=Cc2cccc(Cl)c2)o1 2331201687 RNSIIPOWVXLHHE-UHFFFAOYSA-N 442.884 4.746 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339586386 FDHZKVJTPCESCA-XMMPIXPASA-N 443.397 4.610 30 10 IJEE C=CCN(CC=C)C(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645877 QLJWJEZZUWWQCA-UHFFFAOYSA-N 425.392 4.563 30 10 IJEE C=CCn1c(SCCCc2nc(-c3ccncc3)no2)nnc1-c1ccc(Cl)cc1 14729487 JKOORZOASVWQBO-UHFFFAOYSA-N 438.944 4.954 30 10 IJEE CCOc1cc(/C=N\n2c(COc3ccccc3)nnc2SC)cc(Cl)c1OC 169916462 ZQXRRUKNKBQILI-UUYOSTAYSA-N 432.933 4.522 30 10 IJEE CCOc1cc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)ccc1OCc1cc(C)ccc1C 169939002 PEGHHDQXDOVJFE-DEOSSOPVSA-N 436.577 4.807 30 10 IJEE COc1cc(/C=N\Nc2nc(C)c(C(C)=O)s2)cc([N+](=O)[O-])c1OCc1ccccc1 169941313 WVJFVFKILGMQEG-JJFYIABZSA-N 440.481 4.596 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccs2)cc1C 169982682 XMIIIVFWFSYRHU-JOCHJYFZSA-N 449.528 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169988236 PMIQNHZTVGBFFA-GOSISDBHSA-N 442.399 4.717 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2OC)cc1C 170123586 ABGPAKVJRMDELB-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1cccs1 170161598 PKLTYAYOOOVGJH-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)cc1 170205569 OYXBHVHOKFFDLG-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)c1 170241890 KOXLUXIWHQLSJI-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3cccc(O)c3)ccc2O1 170256978 DLMCRGJITICRJI-JLCFBVMHSA-N 447.512 4.556 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccco2)cc1Cl 170293180 GGEFWAJKEQEFIE-HXUWFJFHSA-N 445.899 4.861 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccco1)c1ccc(Br)cc1 170293230 NBKXOBSTGQEHBM-GOSISDBHSA-N 430.298 4.953 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2sccc2C)c1 170319553 FKBOWVXFKDYOEV-IBGZPJMESA-N 427.522 4.595 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC(C)=O)cc1 170320233 SSPVCZWILNRGSW-HXUWFJFHSA-N 427.884 4.644 30 10 IJEE COC(=O)c1ccc(N=C2S/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)N2C)cc1 252593526 BKQJLAWKMNQSHT-AFKZWVQSSA-N 446.532 4.510 30 10 IJEE CCCCCOc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)CCCC4)C2=O)cc1 261526941 QYZJDANGWJLEHN-JOCHJYFZSA-N 449.576 4.825 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H](C)Cc1ccc(O)cc1 460768417 FILNWIBHYMCHMD-IGKWTDBASA-N 432.568 4.872 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469754270 XQDNLOYNXBVQGW-WBMJQRKESA-N 425.369 4.605 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 480092424 HMBNYHVIYTVOIF-UHFFFAOYSA-N 435.553 4.666 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](c2ccsc2)C1 508907682 ONODMVLGOUKUEA-QFIPXVFZSA-N 448.548 4.943 30 10 IJEE C[C@@H](NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F 512666630 LQXGNPZISVMBPY-OAQYLSRUSA-N 428.555 4.870 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc(Cl)c1OC 526491678 NYURBWXNWPLTRU-FQEVSTJZSA-N 436.851 4.879 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1cccc(O)c1 526831370 ORGVNBYBOVXDRU-QRVIBDJDSA-N 442.541 4.659 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 585825423 HMVCBNPCGBPEKM-JDUNMQJISA-N 425.960 4.988 30 10 IJEE COc1ccc(CN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2Cl)cc1 586168432 CZMWOSDFSMOCSD-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE N#Cc1ccc(CNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(F)c1 609229655 HHYUQPZOLVYUIV-QFIPXVFZSA-N 435.886 4.528 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c(F)c1 610767727 YFGRAPPUPRWIJZ-UHFFFAOYSA-N 436.314 4.895 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2cc(Br)c(Cl)cc21 615889226 UDNYTNVPMCAWGK-UHFFFAOYSA-N 446.732 4.672 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(CNC(=O)c2cccs2)cc1 735344362 HENFSZMXNZEFSE-UHFFFAOYSA-N 440.908 4.591 30 10 IJEE Cc1ccc2[nH]cc(CCC(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2c1 747105167 ONLMTVOPEHBKSH-QGZVFWFLSA-N 430.533 4.875 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)c1=S 765033562 KQRBPMGOFORSJD-DYESRHJHSA-N 439.560 4.611 30 10 IJEE CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccc1 787032766 GFERIOVBDRFVOJ-MKXGPGLRSA-N 430.426 4.665 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1oc2ccc(Cl)cc2c1C 925480671 GQQPWDTZQATAIP-OAHLLOKOSA-N 440.883 4.895 30 10 IJEE COC(=O)C(=NNc1ccccc1OC)Sc1nc2ccccc2n1-c1ccccc1 1084019573 HOCWPICZOLGJCX-UHFFFAOYSA-N 432.505 4.725 30 10 IJEE CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3ccc(C)c(C)c3)S2)c1 1084055777 XJPPHOQNOJGBLT-HXUWFJFHSA-N 425.554 4.682 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)c3nn(C)c(C(F)(F)F)c3Br)c2C#N)C1 1124213149 CHDZQSGQIQFIGA-ZETCQYMHSA-N 447.280 4.512 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1Cc2c(F)cc(C)cc2N1C(=O)OC(C)(C)C 1125487659 RBSJNLPPSOSMJQ-QHCPKHFHSA-N 449.526 4.887 30 10 IJEE C=CCc1cc(CNC(=O)C2(c3ccc(Br)cc3)CCC2)cc(OC)c1OC 1125544294 HHELMMWMEKLXIO-UHFFFAOYSA-N 444.369 4.933 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3ccc(OCC(F)(F)F)cn3)cc2)c1 1125814194 DBALGMWTOMUFMU-UHFFFAOYSA-N 427.382 4.726 30 10 IJEE CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1-c1ccccc1 1126876542 DTAXTHPWBSHJOI-GOSISDBHSA-N 425.554 4.563 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1Cl 1127110678 DAYKYMKJEGLXGF-HXUWFJFHSA-N 438.915 4.767 30 10 IJEE COc1ccc(-n2nnc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)C)C4)c2C)cc1 1129397546 HQXBLKDLOZBLMJ-OAHLLOKOSA-N 435.553 4.531 30 10 IJEE C#C[C@@H](NC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1)C(C)(C)C 1129739036 PNRHTFQBKOHZMZ-GFCCVEGCSA-N 428.195 4.604 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2cc(OC)c3ccccc3c2)CCCN1C(=O)OC(C)(C)C 1134572937 AJVBNAVNACJPBH-QYBDOPJKSA-N 436.552 4.819 30 10 IJEE C=CCCC[C@H](C(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1)c1ccccc1 1136483513 PYAXMHKUURSMCA-VWLOTQADSA-N 434.580 4.946 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)CN1C(=O)OC(C)(C)C 1137901184 HTYSZCATYRCAFY-MOPGFXCFSA-N 449.551 4.607 30 10 IJEE C=C(C)[C@@H](NC(=O)CSc1nccn1-c1cccc(OC)c1)c1ccc(F)c(F)c1 1138368561 JJWWSAWKKLGARB-OAQYLSRUSA-N 429.492 4.685 30 10 IJEE COc1ccc2c(c1)CN(C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C1CCCCC1)C2 1167666924 BZPDDAZSRYCICV-SHQCIBLASA-N 434.580 4.508 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)O[C@H](C)C2)cc1 1190621789 QILOEMXAILZYFM-IIBYNOLFSA-N 439.499 4.975 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2ccc(/C=C\c3cccc(OC)c3)cc2)c1 1190688748 XINRXGRKOYVRPP-KHPPLWFESA-N 449.528 4.549 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N(CCC(=O)OC(C)(C)C)C1CCOCC1 1200392804 GGGVDULBIVTPJF-KRWDZBQOSA-N 447.601 4.826 30 10 IJEE N#Cc1cccc(C2(NC(=O)Nc3nnc(Cc4ccc(C(F)(F)F)cc4)s3)CC2)c1 1219125509 HUIZZEWFJOQHAG-UHFFFAOYSA-N 443.454 4.830 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)cc(Br)c1)c1ccc(F)cc1 1219595402 ZNKQFQVVFNNPOD-OAHLLOKOSA-N 426.083 4.847 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3cccc(F)c3)CC2)cc(OC)c1OC 1221553551 JZBQPIFQZUMUPX-UHFFFAOYSA-N 426.532 4.736 30 10 IJEE C#CCC1(NC(=O)N[C@@H](c2ccc(OC)cc2C)c2ccccc2Cl)CCOCC1 1222318329 WWKPSTBISVCYOZ-QFIPXVFZSA-N 426.944 4.618 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1230693158 COBNJXSORRTACP-OFNKIYASSA-N 445.485 4.551 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 1264144990 DKOMDAKDFGXBMM-ZBFHGGJFSA-N 447.306 4.781 30 10 IJEE CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Br)cc1C#N 1264905586 CWOZDOJPDLUMMI-UHFFFAOYSA-N 440.110 4.885 30 10 IJEE CC1(C)CC[C@H](CNC(=O)COc2cccc(Br)c2C#N)c2ccccc21 1266261233 HHTMJVJDFRCMRB-OAHLLOKOSA-N 427.342 4.671 30 10 IJEE CCOc1cc(Br)c(CC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1OCC 1276786938 ASXBQKGOZHRABX-HNNXBMFYSA-N 445.357 4.880 30 10 IJEE C#CCCCCn1c(N(CC)C2CCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286334443 HHXBKZAOXMJWSI-KDURUIRLSA-N 429.609 4.621 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCCC(C)(C)C 1286454129 GMHYRRCAOKFHJS-RUZDIDTESA-N 442.579 4.535 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)CC(C)(C)C1 1286504623 OSIPLBXXHGTSLX-GOSISDBHSA-N 435.597 4.839 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)C[C@H]1CCCO1 1286602892 DICRRQWHEAUUNR-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[C@H](C)N2CCCCC2)CC1 1286637731 LRQRPMSGNYXUDO-SFTDATJTSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1286640770 PROMJUJQAJNROZ-SSEXGKCCSA-N 426.630 4.700 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 1286651838 MYQNAKGADIMMTF-LRXVAGHRSA-N 428.552 4.775 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCCN(c2ncccc2F)CC1 1286689518 SUBDFOXKGUWNDD-UHFFFAOYSA-N 448.590 4.784 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(C(F)(F)F)c1 1286759448 CGYJMVAUHMLHDB-IEBWSBKVSA-N 449.521 4.837 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286827125 DRYIGKWCXLDCFJ-IBGZPJMESA-N 441.988 4.570 30 10 IJEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@]3(C)c3ccc(C(F)(F)F)cc3)CC2)o1 1287894059 BLYLQASJADVNJN-JOCHJYFZSA-N 446.473 4.628 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CC(C)(C)O1 1289030974 GFOWFLDFLBPWSP-KRWDZBQOSA-N 429.515 4.646 30 10 IJEE CCc1ccc(Cn2c([C@H](C)CC)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)s1 1292550694 DLJJYJPDWHOEMR-VGOFRKELSA-N 435.597 4.913 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC(C)(C)C1 1300362418 OYUQRWJZBUMQLT-UHFFFAOYSA-N 443.636 4.823 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)Cc1ccccc1C 1300368622 ZHXKBZBHCUKIAQ-UHFFFAOYSA-N 426.568 4.655 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1300391550 AXPCLULFSBRVJT-KRWDZBQOSA-N 426.870 4.560 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1300843178 CTFYXHYMKCOTEZ-KRWDZBQOSA-N 447.352 4.693 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](OC)C1CC1 1300900812 IPJYHFSEASXEIO-GOSISDBHSA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN(C)[C@H](C)CC 1300904570 AGXFIQYCFDUGDB-QGZVFWFLSA-N 434.426 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(OC(F)(F)F)cc1 1300919071 UDLHPJDWOMMCBP-UHFFFAOYSA-N 431.462 4.613 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cc(Br)cs1 1300934775 AYGQNGBIQRICMM-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1300989909 HGQGDJKYQKSKHK-HSZRJFAPSA-N 447.023 4.673 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C)CN2CCCC2)CC1 1301065965 LFYIAABVTZZUKR-NFBKMPQASA-N 437.632 4.923 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cscc2C(F)(F)F)CC1 1301089537 YRSBWFRVFAAULM-UHFFFAOYSA-N 439.532 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC2CC2)CC1 1301113830 HTZAQPWCBBWXPP-UHFFFAOYSA-N 431.378 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C 1301150097 MQALSZQQEPYOJU-SFHVURJKSA-N 434.588 4.827 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2OCC)CC1 1301176982 NTDNDTVFZNPRQH-UHFFFAOYSA-N 435.572 4.928 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1301189671 ZDMYIPYPHINWFE-IBGZPJMESA-N 429.559 4.568 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C2CC2)C1 1301241018 LGYPPWDHUCUEDU-INIZCTEOSA-N 449.368 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2F)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1301286296 MQXSFJLUNGWNLT-UHFFFAOYSA-N 431.556 4.790 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCc1csc(C(C)C)n1 1301304531 CLUGXHPCSAKBOK-UHFFFAOYSA-N 425.602 4.919 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCC(C)(C)C1)C1CC1 1301313714 FUTVSZNRBONJRF-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@H](O)C1 1301341970 QLEKNNOACQEICR-ZEQRLZLVSA-N 433.600 4.626 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H]1CSC 1301602634 UBMOEEUGQYDIJS-SFHVURJKSA-N 425.627 4.744 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@H]1CC 1301624585 VSINUAKHLFVSPL-QRVBRYPASA-N 449.665 4.894 30 10 IJEE CC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1302188405 AXCNIEYDGUAEQM-UHFFFAOYSA-N 427.618 4.887 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](CC)O[C@H](C)C2)on1 1306408688 DXKIGAMJZLXMHI-UTKZUKDTSA-N 448.571 4.760 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)n2)c1 1306966771 CWVCPPSXWWPFHB-LJQANCHMSA-N 439.441 4.846 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC(=O)Nc1ccc(Br)cc1C 1311798144 YVTPOYDRVXQVBM-IBGZPJMESA-N 444.373 4.573 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)cc1 1312418123 XYTJIATXEUNPKO-CTNGQTDRSA-N 438.300 4.746 30 10 IJEE CO[C@](C)(CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1ccccc1 1312719030 HKDIAZQWEWBHKG-AREMUKBSSA-N 431.511 4.971 30 10 IJEE C=CCN(c1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(=O)[C@H]1C[C@@H](C(=O)OC)C1 1353539206 VCWHWESFSKURIR-BETUJISGSA-N 425.337 4.835 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)OC(C)(C)C2)[C@H]1CCOc2ccc(Br)cc21 1353634973 PJWGGLMFYRYAPH-IBGZPJMESA-N 440.337 4.762 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1c(C)c2cc(Br)ccc2oc1=O 1355290434 NTYOXSWAGDWFLX-UHFFFAOYSA-N 430.273 4.831 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2sc(CC(F)(F)F)nc2C)cc1 1355842516 MWAPQVNLQNEFBF-UHFFFAOYSA-N 437.487 4.552 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2cc(F)ccc2Br)cc1 1357632169 UJQBRCBHFWJFLP-UHFFFAOYSA-N 445.332 4.974 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CC 1358899526 PAJSJMULGIJIKR-MJGOQNOKSA-N 432.037 4.556 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCCCC1 1358912248 MQFJXIOHDMYGEG-HXUWFJFHSA-N 443.636 4.965 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC#N)CCC(C)C 1359092405 APENSJPSFJPLHK-PKTZIBPZSA-N 432.572 4.564 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCc1nnc(C)s1 1359108720 ZZWZTHGKDYPMFG-UHFFFAOYSA-N 447.612 4.997 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C)C1 1359128675 BOQOELSWFSLDNE-INIZCTEOSA-N 433.394 4.845 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)c1nccs1 1359129384 AGJRJMUDFBJKIY-SFHVURJKSA-N 448.596 4.782 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCSC2(C)C)CC1 1359161260 WQJZQZFUCVRMKG-AWEZNQCLSA-N 436.423 4.724 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1359194688 ZTKATDGJKVIYAV-XZOQPEGZSA-N 437.632 4.800 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C[C@@H]1CCOC1)C1CC1 1359211720 MKUWZYPRRGIOBQ-HNNXBMFYSA-N 449.368 4.818 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCCCCC1)C1CC1 1359248437 NRPOQEAJGNJKLI-UHFFFAOYSA-N 430.980 4.847 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@H](C(C)(C)C)C2)cc1 1359308057 CDLYVQPCGJSQOG-NRFANRHFSA-N 431.584 4.749 30 10 IJEE C#CCOc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)cc1 1360373819 FEIZQSXRXOTKMF-IBGZPJMESA-N 448.441 4.922 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(OCc3ccccc3C)c2)c1 1443755963 FVZNEVLEUGYTND-UHFFFAOYSA-N 433.529 4.623 30 10 IJEE C=CCCS(=O)(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 1462742300 ZKEZLDLMWWDTLD-UHFFFAOYSA-N 429.973 4.590 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1)c1ccccc1 1467536868 JLUVSKOUNJIORW-GOSISDBHSA-N 427.526 4.841 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1 1470662248 GQMHSLGLXKMSEX-FQEVSTJZSA-N 445.991 4.837 30 10 IJEE C[C@H](Nc1nc2c(c(C#N)c1C#N)CCCCCC2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1472679145 DBRZFOPMBZKNFM-ZWKOTPCHSA-N 437.588 4.931 30 10 IJEE N#Cc1ccccc1OCCN1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1473140514 IFPDWCDDVZLQBA-AREMUKBSSA-N 431.967 4.998 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc4nonc4c3)cc2Cl)c1 1476099080 HNQQSKQQJRQSRH-UHFFFAOYSA-N 433.855 4.649 30 10 IJEE CC(C)c1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C)C2)cs1 1494252066 FQSPYRSKPUZDTK-INIZCTEOSA-N 438.626 4.581 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@](C)(O)c1cccs1 1496396736 ICXFECQHROBICC-SQJMNOBHSA-N 449.624 4.919 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@H]2C1 1507556278 HAKZVMWTWNWZSQ-CTNGQTDRSA-N 442.007 4.550 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1507595952 ZTOKPEXNAGLMOT-KNQAVFIVSA-N 447.410 4.853 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCC1(F)F 1507643415 MIYIGMJDXVUUPC-KRWDZBQOSA-N 447.327 4.606 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H]2CCC=CO2)CC1 1507877464 BSHUEMHFMLQROU-KRWDZBQOSA-N 445.361 4.565 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)CC 1508029269 YWYXZWAJXWSGDU-JOCHJYFZSA-N 432.927 4.727 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1508037214 GQHNZFUZTGDCAF-PKTZIBPZSA-N 440.632 4.988 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1 1509529041 DTHFYBONBKNHCW-UHFFFAOYSA-N 432.572 4.699 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@]2(C)CCO[C@H]2C2CC2)o1 1510782942 ADOHGJBWSXSNQA-XUZZJYLKSA-N 425.577 4.818 30 10 IJEE COc1cc(NC(=O)c2cc(C#N)ccc2C)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 1514924056 AMNJWYVRMVVFSI-CALCHBBNSA-N 435.524 4.539 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC#N 1516424044 DVFMAFMTSGNRQX-OAHLLOKOSA-N 434.382 4.509 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)CCCN1C(=O)OC(C)(C)C 1517975934 PNNRJHQHHOQRKY-SQJMNOBHSA-N 446.588 4.623 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)N(CCC)CCOc1c(Cl)cc(Cl)cc1Cl 1519285262 WUOYWBROXSUPJV-KRWDZBQOSA-N 435.779 4.735 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1 1521665618 JZMBRHQTQZDZGG-UHFFFAOYSA-N 430.342 4.626 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1525313087 ZJRIVCMMNGUMTI-UHFFFAOYSA-N 438.527 4.744 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCCC(C)C)c(OC)c1)c1ccc(Br)cc1 1528498571 XYTOPUGBEYASKV-IBGZPJMESA-N 430.342 4.987 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1528521201 NXLGEZZZETUSJQ-UHFFFAOYSA-N 432.564 4.788 30 10 IJEE Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1cccc(C#N)c1Br 1529427693 GOYIAHNXYKWJPU-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cccc(C)c2I)cc1 1529654321 CLPPVAVOUKTQCL-UHFFFAOYSA-N 449.288 4.861 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(=O)OC 1531945870 UHEFBARVNWRNCM-GOSISDBHSA-N 426.563 4.826 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccc(Cl)cc1F 1535504420 DRSPNEFPQVYICA-ADLMAVQZSA-N 439.701 4.630 30 10 IJEE C=CCN(C(=O)c1sc2ccc(C#N)cc2c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1537317672 ZVSZDBCHSFHALG-NRFANRHFSA-N 432.545 4.884 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCS(=O)(=O)Cc2cccc(C)c2)C(C)(C)C)cc1 1537697910 WCPASLYHYSIIBI-UHFFFAOYSA-N 443.609 4.692 30 10 IJEE C=CCn1c(SCC(=O)NCc2cscc2Cl)nnc1-c1ccc(Cl)cc1 1538101185 NNPDPDKONCOFOH-UHFFFAOYSA-N 439.393 4.908 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCC(C)(C)C1CC1 1539301587 REIZDHDDAGHLPY-UHFFFAOYSA-N 439.401 4.997 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC[C@H](OCC)C(C)C 1539357264 GAJFNOOTNHXNQZ-IBGZPJMESA-N 433.394 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(NC(=O)CCC)cc1 1539562738 CDBWCMQSWGQABC-AREMUKBSSA-N 433.600 4.790 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)[C@@H]1CC 1539607265 AYISXQUZXYABKJ-QAPCUYQASA-N 433.394 4.953 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1539667567 JZVZPYVXDGZOFW-OAQYLSRUSA-N 442.604 4.917 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2OCCC2(C)C)CC1 1539874308 LNDLFVGNFLSRSC-LAUBAEHRSA-N 428.552 4.775 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(C)nc2)CC1 1539878076 QSPPIDCZDKSIAM-UHFFFAOYSA-N 438.373 4.862 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1540101633 JIQBMLHDTZDQSJ-LSDHHAIUSA-N 449.368 4.674 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccc(OC)cc1)C1CC1 1540102360 VMRSHVPOJFBIBU-INIZCTEOSA-N 439.947 4.624 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C(F)(F)F)cc1 1540108153 YQFVHCXTPBMWHI-IFMALSPDSA-N 443.465 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1Cc1cccnc1OCC 1540162100 LQGZSOJXFZGHGM-UHFFFAOYSA-N 426.524 4.514 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCOC[C@@H]1C 1540187958 YIUQWWAUAMYKFB-JTHBVZDNSA-N 434.584 4.678 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1540198612 NMSQIKPBJQLMBW-ROUUACIJSA-N 437.510 4.656 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)c1 1543173937 MBLXCBGCSHEHHB-QFIPXVFZSA-N 429.969 4.798 30 10 IJEE C=CCCCCCCNC(=O)c1csc(I)c1Br 1544263591 VBIDDFKLALUJKI-UHFFFAOYSA-N 442.160 4.982 30 10 IJEE Cc1cccc([C@H](NCCC(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)OC(C)(C)C)c1 1560191107 AYESKTZDJXDECJ-NRFANRHFSA-N 427.932 4.521 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(I)cc(C(F)(F)F)c1C)C(C)(C)C 1563255127 IWYRLDNLMKXWIC-CYBMUJFWSA-N 438.231 4.788 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1)c1ccc(Cl)cc1F 1563544839 IUCXRSOXGCYZJY-APPDUMDISA-N 439.712 4.985 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(C(F)(F)F)cc1 1564005310 IJOOVAAFYHSPEI-MOPGFXCFSA-N 449.448 4.957 30 10 IJEE CC#CCCNC(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1566958003 ZBRGRMBNETUMPE-NRFANRHFSA-N 444.575 4.957 30 10 IJEE CCc1ccc(CN2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)cc1 1583462990 FLXHHQGAINOLAO-UHFFFAOYSA-N 439.559 4.658 30 10 IJEE C=CCn1cc(C(=O)N(C)[C@@H](c2cc3cc(Br)cc(C)c3o2)C(C)C)nn1 1583652357 RFIGDDOREQQVHB-GOSISDBHSA-N 431.334 4.751 30 10 IJEE Cc1cc2c(Br)ccc(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)c2o1 1584712389 CVLGDXZEYQBCGG-UHFFFAOYSA-N 439.244 4.953 30 10 IJEE Cc1[nH]c(C#N)cc1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 1585481476 DNOVYLBIVXKNGN-QHCPKHFHSA-N 433.556 4.524 30 10 IJEE C=CC1(CC(=O)N(CCC)[C@@H]2C[C@H](OCC)C23CCCC3)CN(C(=O)OC(C)(C)C)C1 1586443674 CVTCDRVMPNOTJX-UXHICEINSA-N 434.621 4.776 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 1586658265 XTQUOUXTHAXTHQ-UHFFFAOYSA-N 436.939 4.799 30 10 IJEE C=CCn1c(SCC(=O)NCC(F)(F)C(C)(C)C)nnc1-c1ccc(Cl)cc1 1586875741 WZKZPQKHWRMADV-UHFFFAOYSA-N 428.936 4.674 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCOCCCC 1587585688 FBXXUMXJCQBSCI-QGZVFWFLSA-N 433.394 4.681 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1CCCC 1587915931 WEBWZOFIAJJFFM-XZOQPEGZSA-N 437.632 4.759 30 10 IJEE C#CCC1(O)CCN(C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1 1588765045 DQQNOYGGSGUSTA-UHFFFAOYSA-N 437.392 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1589557298 HEJNQMNCONROLF-JBAWTIAASA-N 438.616 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1cnn2ccccc12 1589687881 RRSPRXDPWDPNCQ-UHFFFAOYSA-N 430.556 4.572 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(CN2CCCCCC2)CC1 1593649875 CTQSDKVKGIGVPD-UHFFFAOYSA-N 437.632 4.546 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1593691161 SKUQVCORQBBNLG-HMXCVIKNSA-N 446.542 4.629 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCSC(F)(F)F)CC1 1594014191 PRTXGCDGNYRKMV-AWEZNQCLSA-N 430.471 4.967 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1594431109 WORPABSMQYJIEJ-UXHICEINSA-N 441.595 4.519 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1594644886 GSFSYIHFKQZLET-NRFANRHFSA-N 441.576 4.707 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1594692681 CKHMMZNTVWAWEN-VQTJNVASSA-N 425.533 4.603 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C)(C)CC1 1594726729 FDKABNLMOABAFM-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1CCCN(C)C(=O)OC(C)(C)C)C1CC1 1595062354 NWNKPBCBOZGLRF-UHFFFAOYSA-N 439.604 4.589 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1Cc1cn2ccc(C)cc2n1 1595085411 VFFYXMZYYLONJO-FQEVSTJZSA-N 439.567 4.860 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2N(C)CCCC2(C)C)C1 1595706879 QTCMFYVOWMYZRB-NQIIRXRSSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1595854704 KHZGTMJVZCVXDR-UHFFFAOYSA-N 431.009 4.504 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C(=O)OC)C1CCCCCC1 1597118438 LMIBGRRUEUEHOM-SFHVURJKSA-N 427.463 4.760 30 10 IJEE C#C[C@H](Nc1ncnc2cc(I)sc12)c1ccc(Cl)cc1 1612454675 ZPUYBWUSTQIMDA-NSHDSACASA-N 425.682 4.736 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1612758063 FMTCIKSUNCVWHY-YLJYHZDGSA-N 429.515 4.648 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2O)CCCN1C(=O)OC(C)(C)C 1616377340 LIDVZBATFZAXRA-LJQANCHMSA-N 430.423 4.575 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1618708376 SRAJHWMYCKMHDL-DOTOQJQBSA-N 437.590 4.700 30 10 IJEE CC1CCN(CCNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1625883860 ASOUUGNPEFERAH-UHFFFAOYSA-N 429.380 4.829 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)C1 1632373651 OIBSEAMNFUDTAZ-GOSISDBHSA-N 447.000 4.984 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)[C@H](C#N)C1 1632527153 ACXMWXZIQDUCHQ-IFMALSPDSA-N 433.552 4.506 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1Cc1ccccc1OC)c1ccc(Br)cc1 1636563335 XCUMFJUZYXNGKV-VQTJNVASSA-N 427.342 4.549 30 10 IJEE C=CC[S@](=O)(=NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)c1ccccc1 1646623225 FVEAQRRISZALGV-GDLZYMKVSA-N 435.571 4.662 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1651144616 ZHRNHSXJJWZXQK-AZUAARDMSA-N 442.581 4.669 30 10 IJEE C=CCn1c(SCCCN2C(=O)c3ccccc3C2=O)nnc1-c1cccc(Cl)c1 1651889728 VSWNJGZTNLORLP-UHFFFAOYSA-N 438.940 4.563 30 10 IJEE C=CCn1c(SCC(=O)NCC2CC2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1652385600 QHBBQTXINXZWKM-QGZVFWFLSA-N 444.670 4.962 30 10 IJEE C#Cc1ccc(NC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 1653072980 OYFFNBNPPUIPOX-UHFFFAOYSA-N 429.904 4.676 30 10 IJEE C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(Cl)cc1 1654150672 HBPMWUKQKSKDEB-PZDGAKPMSA-N 428.863 4.906 30 10 IJEE COc1ccccc1C[C@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1657454184 HTPAGZOHWPOCSP-SFHVURJKSA-N 436.600 4.992 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNCc2ccc(C#N)c(F)c2)C1 1659253577 DAKSHYSTCKMLPU-IFMALSPDSA-N 441.522 4.967 30 10 IJEE C=CCc1cc(CN[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc(OC)c1OC 1661353775 ILGYBTNLKWAGJZ-NJDAHSKKSA-N 430.589 4.558 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCC1(c2cccc(Br)c2)CCC1 1667178599 GKNMNKZIRCAPRV-UHFFFAOYSA-N 429.358 4.935 30 10 IJEE Cc1cc(Br)ccc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1670162602 AYURLPRTDSPEOR-UHFFFAOYSA-N 444.720 4.790 30 10 IJEE O=C(Nc1ccc(OC(F)F)nc1)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1670668689 GJEHYBHNPWSHDL-GFCCVEGCSA-N 427.276 4.710 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(C)ccc1Br)c1ccc(Br)cc1 1673724812 LIONHJUTLJQZJR-KRWDZBQOSA-N 436.147 4.694 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCCc1ccc(Oc2ccc(OC)cc2)cc1 1678937614 OQXYOPLBKUNQIV-UHFFFAOYSA-N 430.504 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 1682156873 RVQRQNGVHLVGSJ-CYXNTTPDSA-N 439.644 4.834 30 10 IJEE C=C(Br)CNC(=O)N(Cc1ccco1)Cc1ccc(C)cc1Br 1683397624 GGNCIFUTGRQHQS-UHFFFAOYSA-N 442.151 4.971 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(Br)cc1 1683680720 FZKSUSKCQMCLRT-GOSISDBHSA-N 437.341 4.589 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1689837676 KLUIUQJWWPOZPK-WGDIFIGCSA-N 434.584 4.818 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1689876506 BKFCDCYLHHLSML-RXVVDRJESA-N 428.552 4.612 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1689917803 HEUHRQJNUMKHNN-QHCPKHFHSA-N 445.615 4.706 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2nccs2)CC1 1690249553 ZFMQQDXYNMAZAY-ICSRJNTNSA-N 429.634 4.688 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690276100 JDFLHLSXZIOHQH-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 1690326634 ADQQXBBLFRZPEO-UHFFFAOYSA-N 445.354 4.585 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(C)(C)C(=O)NCC)CC1 1690369003 UHNOOUZODAABPT-UHFFFAOYSA-N 436.387 4.571 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC2(COC)CCCC2)CC1 1690404883 WQWLOOSOLAVFQW-UHFFFAOYSA-N 429.996 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1690418987 DGDVFHMSWPIJIJ-ROUUACIJSA-N 444.023 4.946 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1690500577 ZNQHIHUBNDWMAW-VWLOTQADSA-N 430.556 4.525 30 10 IJEE C=CCCOCCn1c(N2CCC[C@@](C)(OC)CC2)nnc1C1(c2ccccc2)CCC1 1690511993 JAMFGRBUMPNRLF-RUZDIDTESA-N 438.616 4.736 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1cccs1 1690558371 NFKCGLZZSLDJBG-HOYKHHGWSA-N 435.597 4.825 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)[C@H](C)CC 1690576393 ZHKBTYCAVFGPAV-KOSHJBKYSA-N 435.597 4.868 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(F)F)C1 1690682171 GYTHSWYRNSANGF-IBGZPJMESA-N 439.510 4.743 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1 1692958246 FLNRWDQGNKZYQI-JOCHJYFZSA-N 440.473 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cc(C(CC)CC)no1 1705491047 WVHKXKNZPSOLPP-QGZVFWFLSA-N 444.539 4.998 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705514139 LPLOXRGMDGARIN-UHFFFAOYSA-N 447.558 4.833 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1705524639 QBOQNPRIXJEGDM-XUZZJYLKSA-N 449.643 4.611 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nc(C)cs1 1705593297 MUJDPIKWFNMDTA-UHFFFAOYSA-N 447.608 4.646 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCc1cccs1 1705659363 TUQQWKFPUOQOHS-UHFFFAOYSA-N 449.605 4.707 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1705721256 RRHYAQPBSGXLEK-ZWKOTPCHSA-N 446.979 4.654 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OCC(C)C)C1 1705722381 IYSBHQIJRKHWDV-CQSZACIVSA-N 425.396 4.597 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 1705731545 WQSCWDOXKQXTMW-QUCCMNQESA-N 448.995 4.506 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nccs1 1706068333 IFSYUFMPUBHSKN-GFCCVEGCSA-N 428.974 4.914 30 10 IJEE CC1(Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1706958812 DHLTZICZQAGGBB-FQEVSTJZSA-N 432.341 4.730 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCC)C1 1722320890 NTUVNCCTSKKVBG-HSZRJFAPSA-N 438.616 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCC(F)(F)F)cc1 1722475264 SKSOABHYOPGAOI-SIKLNZKXSA-N 448.489 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccnc(SC)c1 1722476360 RVPSZCHMDWYQHK-RUZDIDTESA-N 447.608 4.631 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(C)C)C1 1722484211 HIIJAMJKXDPZPN-KRWDZBQOSA-N 426.362 4.884 30 10 IJEE C=C(Br)Cn1c(CC)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1722486407 YOOVHBWOXBYMIH-NSHDSACASA-N 440.183 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)C[C@H]1CCCOC1 1722493221 XHJPABWSXIIEAZ-AZOUXBGGSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H]1C 1722501887 RALHJWJEHYOHHI-KCESLBEFSA-N 442.629 4.795 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1722520426 OFYGXCPZGITIJT-UHFFFAOYSA-N 443.382 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCc2ccccn2)cc1 1722637666 WDLFAFVCIDPSMJ-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1OCCC1(C)C 1722656509 WVEYABSOFVFOKY-QHCPKHFHSA-N 433.600 4.890 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCOC2CCCCCC2)C1 1722722869 TXEXQVMOGDAJDF-DEOSSOPVSA-N 438.616 4.698 30 10 IJEE CC[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)c1ccsc1 1726914483 DEMADJZFQUBHAM-IQGLISFBSA-N 447.608 4.926 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(CCC)Cc1ccc(F)cc1F 1740762487 DWOZNYUNQCKEHE-WMZHIEFXSA-N 430.543 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN1CC 1740767033 OISGBQXUMCLNNC-AZUAARDMSA-N 432.012 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccccc1Cl 1740776186 RADIXPKVANXNJA-QFIPXVFZSA-N 431.005 4.894 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOC(C)(C)C)CC1 1740835261 JSOXBSYYUQNANP-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1740863412 XFRITXZLHMBDFG-UHFFFAOYSA-N 445.011 4.736 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1740894910 LSBWKECRBHTYPS-RDGATRHJSA-N 440.588 4.568 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1740947545 JZJADNVDKMGIOS-FPOVZHCZSA-N 428.024 4.799 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCN2CCCC)C1 1740977514 IBVRBOISQIJXQI-NHCUHLMSSA-N 441.595 4.520 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1748709473 WSSOCKUIDNTIHG-WIYYLYMNSA-N 428.367 4.640 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1748723994 GKXQPUNQEJZFPU-HSZRJFAPSA-N 446.599 4.624 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1csc(C)c1 1748828765 KYSSIPGZGTXLBK-UHFFFAOYSA-N 443.601 4.868 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC[C@@H]1C 1748915326 SOQUTXFPGOILIQ-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(Cl)=C(Cl)C1 1749352333 LVMWTFSYOSSTAH-UHFFFAOYSA-N 428.408 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1749358946 FMSBVLNHWLDNPS-UHFFFAOYSA-N 430.600 4.880 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 1749381900 IEGFUZGOGNQQNM-GOTSBHOMSA-N 445.615 4.657 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCOC2)C1 1749391081 QBDMKOMCIXXXSG-NRFANRHFSA-N 431.378 4.681 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@@H]1C 1749444987 GVMQAKXWNCELCX-IRXDYDNUSA-N 437.009 4.606 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(F)cn1)C1CC1 1749508150 KAODTYLMFOBLLD-OAHLLOKOSA-N 427.911 4.809 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1oc(CC)nc1C)C1CC1 1749527724 PFYMBBPYAJASTN-UHFFFAOYSA-N 427.936 4.572 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(Cl)nc1 1749563280 AIYRFIFZOMIVGN-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC)n1Cc1ccnc(N2CCCCC2)c1 1749585942 HEYKWNMWUGMSCH-UHFFFAOYSA-N 430.600 4.509 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749614083 QAEHXJOMTDGSDO-MRXNPFEDSA-N 439.785 4.798 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](COCC)C2)cc1 1749684156 RORZNJBYCDAMQS-JOCHJYFZSA-N 447.583 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1C(F)(F)C12CCC2 1760103813 MNZUPCWZSCDQFM-PBHICJAKSA-N 449.343 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CCN(C(=O)OC(C)(C)C)C1CC1 1760292612 FNKCNEAWSFUGAE-AREMUKBSSA-N 449.599 4.645 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760316824 XJXVBUVXWZDWPV-ODAXIHTASA-N 438.616 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1760320398 UVRJUBOKKABYAW-YJRNTSOCSA-N 438.616 4.876 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCOCC1CC1 1760343400 RHVPEAMSBHVSEJ-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cccc(OCCC)c2)CC1 1760390550 NAYYRKFBBHYJRR-UHFFFAOYSA-N 437.613 4.822 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnn(CC(C)C)c2C)CC1 1760392586 WDQNLGILXIFARX-UHFFFAOYSA-N 448.615 4.840 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCOc2ccc(F)cc2)CC1 1760401690 OUYOYTWYQIBOHY-QFIPXVFZSA-N 428.552 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1760414133 GJOBYMATKITPMM-AREMUKBSSA-N 431.584 4.618 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@H]1CC 1760456872 ZBTGMVQWZRGUHC-FCHUYYIVSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(NC(C)=O)cc1 1760457443 SDJCNIROJXYVNB-KRWDZBQOSA-N 449.624 4.955 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1ccc(F)cn1 1760479998 HIGBJTACXASYKE-UHFFFAOYSA-N 430.531 4.657 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccc(OCC)cc2C1 1760508293 SNOSIMKDFYYONW-UHFFFAOYSA-N 445.386 4.917 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@@H]1CCCCO1 1761359785 AAGXYDYFTNDYIT-QUCCMNQESA-N 434.544 4.688 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(C)CCCS2)cc1C 1761832024 FTDYUEVLXBJDOV-DNQXCXABSA-N 439.629 4.890 30 10 IJEE Cc1ccc(C=NNc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1 1772721348 LKSGIRQTGTUMIO-UHFFFAOYSA-N 440.594 4.739 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862430650 OSTNULCZDZGJIE-FQEVSTJZSA-N 431.891 4.873 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432312 BPAFUYURXVDSPB-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)cc1 1862447307 NAVGWSGMMMKIMD-HXUWFJFHSA-N 439.895 4.949 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc4ccccc4[nH]3)[C@H]2c2ccccc2C)cc1 1862475176 FUUTZSSDFTVVCB-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 1862535440 ZWWWGPCTPCWGBS-DEOSSOPVSA-N 442.515 4.821 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862595821 QFYUBOKJYIFJKE-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 1862614172 ZNFQAHXJBNODLV-HSZRJFAPSA-N 442.515 4.863 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2Cl)cc1 1862688852 CGPFHJSWJQMSKI-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(F)cc2)c1 1862702329 BGPIGULKZLKMBI-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 1862736643 LQQCDKRZFINQBF-ZHRRBRCNSA-N 428.444 4.934 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862759232 MPQQXSMXOZGLLM-QGZVFWFLSA-N 434.370 4.602 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862835102 HDEQWQNWAWYYLI-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE Cc1ccc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862902940 HFUBMLBHGONELC-UHFFFAOYSA-N 430.467 4.812 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(F)c(C)c2)C1=O 1863792178 VIOWFOBMYLVRRD-UHFFFAOYSA-N 431.596 4.506 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@@H](c1ccccc1)C1CC1 1868681441 DFVVLPRXVMGALQ-LOSJGSFVSA-N 434.555 4.638 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2cccc(Br)c2)cc1=O 1870814012 PYSOAWVJYGDWNP-UHFFFAOYSA-N 441.325 4.542 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871382052 KZUSGWTWNQMWSD-UUYOSTAYSA-N 432.403 4.895 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)c1 1871456940 FWBCKDQPDJECDM-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCN(CC)CC2)n1 1871524234 YGBQPJPXNNZLSF-UHFFFAOYSA-N 446.043 4.605 30 10 IJEE C=CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N(CCC)CCC)n1 1871636073 POODOGNLFYOBPF-UHFFFAOYSA-N 432.572 4.840 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871649208 VEZRTSVLCOCOIF-UHFFFAOYSA-N 441.366 4.556 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871823797 DGGUTEHEZNFPCW-LJQANCHMSA-N 444.597 4.639 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 1871857599 MFRUZIAXGACMQG-OAQYLSRUSA-N 436.524 4.585 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 1871884052 CPTIHCLKMWHFPK-JOCHJYFZSA-N 440.952 4.897 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1)S(=O)(=O)CCC 1872361688 YETKFXGBUDUSOL-IBGZPJMESA-N 440.487 4.613 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872459892 AOMAKXJFUOFIRB-IBGZPJMESA-N 441.380 4.896 30 10 IJEE CN(C)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1[N+](=O)[O-] 1872766600 IPECSGIVLWDXDH-AWEZNQCLSA-N 428.420 4.553 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cc(Cl)ccc1O 1874261023 FDRKTVMCKXRVHN-AUEPDCJTSA-N 436.871 4.655 30 10 IJEE CCCSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccc(O)c(OCC)c1 1874312369 PWNJHEXWDCOWMG-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE CCCOC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(CC)cc1 1874397913 OCDCKUZINUTRHI-LEBHPONQSA-N 436.581 4.920 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccc(F)c1 1874437754 QQHLODQKGKPNNY-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2cccs2)cc1 1874459624 WSBXAAZXGYSDQY-LSHDLFTRSA-N 439.488 4.534 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccccc1F 1874478342 WABBKEWLHSVLRV-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCC(=O)N(CC)CC)cc1 1874504584 UWCOAJTXWGHEMP-JJIBRWJFSA-N 445.633 4.642 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1cnnc1SCC(=O)Nc1c(C)cccc1C 1874536950 FDFCSANNCXHMPR-LGJNPRDNSA-N 445.548 4.670 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1ccccc1C 1874594863 HQNKRDJMKBDJCW-NTUHNPAUSA-N 446.459 4.825 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 1875174897 OHHQASFPNJMWGQ-ZQAUEJBPSA-N 439.464 4.591 30 10 IJEE COCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1OC 1875177155 WUPDATOHDOWXDT-SOFGYWHQSA-N 433.298 4.522 30 10 IJEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC 1875190473 NFYYVTOQOXBWHM-CSKARUKUSA-N 440.879 4.958 30 10 IJEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)C2)c1 1890494963 MAPOBXKCBCLAAT-OAHLLOKOSA-N 432.530 4.585 30 10 IJEE C[C@H](C(=O)NCC#CCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)c(F)c1 1891599516 TYBJTUSVPIMGDA-NRFANRHFSA-N 426.535 4.774 30 10 IJEE N#Cc1ccccc1[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 1894498919 FWXSLAUGFXHXLL-BJKOFHAPSA-N 438.483 4.607 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CC[C@]1(NC(=O)OC(C)(C)C)CCOC1)NCCC 1922094951 PQOMGCFLELSEQR-RDGATRHJSA-N 432.605 4.592 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2cc(Cl)c(F)cc2C#N)C1 1986444342 XTYWJDCTDFQOTM-UHFFFAOYSA-N 431.895 4.908 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2076129269 ANQWHASJCSAYPE-AOJNWGRGSA-N 446.632 4.524 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(F)(F)F)c(/C=N/O)c2I)c(C)c1 2079091009 VSXDDPQEXMHCKG-LGSFHTRGSA-N 437.203 4.541 30 10 IJEE Cc1ccc([C@H](C)n2nc(C3CCC3)c(/C=N/O)c2I)cc1F 2079137551 OBOABZHFJIRNIX-QQZXWGPFSA-N 427.261 4.620 30 10 IJEE COC(=O)c1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079195401 ADSQUAFHHKUAFD-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](CC)c2ccc(C(F)(F)F)c(F)c2)c1N 2080051958 GWRYYGHKVICCSZ-NSHDSACASA-N 427.320 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCN(c3ccc(C#N)c(Br)c3F)C2)C1 2174813310 UNZRZRXRNTYRMM-AWEZNQCLSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181146186 LFDICOWGIKZMDI-MGPUTAFESA-N 436.350 4.733 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181149040 YXUGQCVEATVMQG-IGCXYCKISA-N 436.350 4.541 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2c(Br)nn(C)c2C)c1 2188136711 DXKMIJVKSCAPNC-OAHLLOKOSA-N 435.322 4.506 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)c(CC)nn1C 2192405866 UUWWODBOTCYQQT-RDJZCZTQSA-N 443.430 4.645 30 10 IJEE CCCC1(C(=O)Nc2ccc(C#N)c(Br)c2)CC(NC(=O)OC(C)(C)C)C1 2233459802 AJHGQKXTCJRENP-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@@H](N)C#Cc1ccccc1Br 2235716046 DMYBISCIEMXQPY-ICSRJNTNSA-N 435.406 4.849 30 10 IJEE CCc1ccc(C#C[C@H](O)c2cc(I)ccc2Br)cc1 2239622602 OLPUKHZZAKQGKW-KRWDZBQOSA-N 441.106 4.701 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)C#Cc2ccc(Cl)cc2)C1 2248465995 WETZPTKFCRIKMO-UHFFFAOYSA-N 439.939 4.715 30 10 IJEE C=C(COC(C)C)[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2256701131 IIFLZFNUZMMHQQ-QHCPKHFHSA-N 446.632 4.790 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](N)C#Cc3cccc(Br)c3)CCCC[C@H]12 2296216169 IATMISFFCORTGF-DXIQSLLYSA-N 433.390 4.698 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2296219899 SNFFIFBDBBELDY-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(N(C)C(=O)OC(C)(C)C)CCCC1 2296294298 SFUOMOSAOQVWHC-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@@H](N)C#Cc1ccc(Br)cc1 2296297742 CIBYYNKSEXMRRM-ICSRJNTNSA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2296309981 CSMAUKSUGKUHBI-OXQOHEQNSA-N 435.406 4.814 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)C[C@@H]2NC(=O)OC(C)(C)C 2306529303 QSQSVXHQBSZXJU-LXKSKSEUSA-N 428.573 4.746 30 10 IJEE COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1OCC(=O)NCc1ccccc1 2322617605 KETVNJABDVMRKS-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE O=C(C=Cc1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1 2323098235 DYEPBVVGXSDMLL-UHFFFAOYSA-N 427.416 4.719 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)COc3ccccc3OC)ccc2C1=O 2323118231 MUDBLFYYZBBDHB-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc(F)cc3F)c2)cc1[N+](=O)[O-] 2325726426 SCPOUFDAHQCDJT-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cc1OC 2326238553 PCCYALGMGPGVHB-UHFFFAOYSA-N 444.532 4.570 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(OC)c(O)c1 2327210927 RFAWUEMMDPMKFV-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(Cl)cc1Cl 2327849684 HVXMYGIQBDTQHW-ZDUSSCGKSA-N 440.400 4.694 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(N(C)C)cc1 2328075452 LOTIZYXAFHHOMP-UHFFFAOYSA-N 425.989 4.943 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(O)c(OCC)c1 2328754248 HMVGVSGRDQZYCV-UHFFFAOYSA-N 440.569 4.778 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCO)cc1 2330216994 FWCZIUXFKZRCFY-UHFFFAOYSA-N 438.597 4.599 30 10 IJEE C=C(C)CSc1nnc(-c2cccs2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330580284 WDLOQJYIAUIARU-UHFFFAOYSA-N 430.555 4.583 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 2330645676 JSUDXJNRUYYGRJ-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccc(O)cc2)o1 2330840401 LWIDCWOZRVMAAI-UHFFFAOYSA-N 442.541 4.517 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccc(F)cc2)c1C 2331172938 QKPXZHHCGSLJPY-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE CCOc1cccc(C=Nn2c(CCOC)nnc2SCc2cccc(Cl)c2)c1 2331306184 MNTSHXHBXBGMIM-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CCC2)c1 2331499886 BQIONQDMOSFISU-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C(C)(C)[C@H]1CCCCN1C(=O)OC(C)(C)C 2338076870 CZJPJOLKGOUPNV-MRXNPFEDSA-N 429.399 4.725 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(C)cc(Br)c1OC 2339680465 XDGSKVDPQQSVRF-IRXDYDNUSA-N 427.383 4.886 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NC)c2cc(C)cc(Br)c2OC)C1 2339704241 YOTUNXLENCWLPG-KRWDZBQOSA-N 425.367 4.640 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc21 22508581 NAPZJTUESAOSIF-UHFFFAOYSA-N 429.904 4.930 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccccc2F)c1C 32973356 JBMCJJCEADVHJC-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE Cc1c(C(=O)C(c2ccccc2)c2ccccc2)c(O)n(CCc2ccccc2)c(=O)c1C#N 38620178 IUJNJNIEOZIQKF-UHFFFAOYSA-N 448.522 4.992 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 41285787 KEOXFTTWHZPNLN-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE CCOc1cc(/C=N\n2c(COc3ccccc3)nnc2SC)ccc1OC(C)C 169916415 ZYNNEFCTYNUQBT-UCQKPKSFSA-N 426.542 4.647 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(O)cc2)cc1 169959842 SZPACFZJQCSOBJ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccs1 169987209 NMDCYQCVXLQIIQ-IBGZPJMESA-N 441.892 4.899 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2cccnc2)c1 170000533 NKSBDPQYJQTKAB-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(C(C)C)cc1 170066710 NOCSCBBBFMKVMG-RDPSFJRHSA-N 449.547 4.884 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1cccc(C)c1 170147282 JVPNHAWAHRMQEX-LJQANCHMSA-N 444.325 4.754 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccnc2)cc1 170185632 ZTKUCBISBAGMIV-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1cccnc1 170195963 AGXLYXWTICGLRL-JOCHJYFZSA-N 438.524 4.648 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccncc2)c1 170198108 MBENYBUJWAQZTD-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCC)cc1 170216147 OOYPKEWIWDUOFO-JOCHJYFZSA-N 437.492 4.583 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(F)cc1 170271279 ODIQDLAQJXJCIG-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE COc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O 252616410 KAEHYEGDAYMTGL-OAQYLSRUSA-N 431.517 4.860 30 10 IJEE C[C@H](NC(=O)c1ccccc1NC(=O)CON=Cc1ccc(Cl)cc1)c1ccccc1 255025439 HPRMIPAYPFLZIN-KRWDZBQOSA-N 435.911 4.820 30 10 IJEE Cc1cccc(NC(=O)c2c(N)n(N=Cc3ccccc3C)c3nc4ccccc4nc23)c1 263629643 GQQINXOMELJGBJ-UHFFFAOYSA-N 434.503 4.918 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)CC1 446553303 BQNJVGKHVOYFHD-UHFFFAOYSA-N 444.457 4.651 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1cccc(Br)c1 460962448 WMYJYSPBAZQYFE-FQEVSTJZSA-N 438.373 4.944 30 10 IJEE CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(F)(F)F 471189795 CTDCUUOVSBZZCY-KRWDZBQOSA-N 439.821 4.646 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1)c1ccc(F)c(F)c1 483309518 OYSONHIISBNHSR-WIYYLYMNSA-N 437.494 4.956 30 10 IJEE COc1ccc(C(=O)Nc2cccc(OCCN[C@H](C)c3ccc(C#N)cc3F)c2)cc1 512652907 BXHMKAXKZQRTOI-QGZVFWFLSA-N 433.483 4.688 30 10 IJEE COc1cc(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)ccc1OCc1cccc(C#N)c1 513537754 CINZEIJQCPXVCX-MNVNNWCQSA-N 434.580 4.907 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](c2ccsc2)C1 516094513 RAKDRHLJUWOJCC-OAQYLSRUSA-N 440.569 4.568 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 523543517 PWWXDHGLBUEGQO-UHFFFAOYSA-N 432.436 4.538 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(OC(C)=O)cc2)cc1 526514848 HDFHXGYLCLHXAE-DEOSSOPVSA-N 440.455 4.549 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)c1 526521670 MXGRBFICXHDFKS-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc1OC 526810950 VPLXRPLFFJXROP-CFRMEGHHSA-N 440.569 4.794 30 10 IJEE COC(=O)c1cc(NC(=O)Nc2cccc(OCCCC#N)c2)ccc1Br 548409437 NCHGRCLGRDKXMM-UHFFFAOYSA-N 432.274 4.562 30 10 IJEE C=CCN(C(=O)c1cc(C)c(Br)c(Cl)c1)c1nc(C(=O)OCC)cs1 551201378 CLTYYZOKCQUPFE-UHFFFAOYSA-N 443.750 4.877 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@H](NC(=O)CC)C1 558993278 KKZLHNWAOBFIDV-KNQAVFIVSA-N 447.583 4.642 30 10 IJEE N#Cc1ccc(COCC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 585222236 UJOCCCLGNNELSI-UHFFFAOYSA-N 433.335 4.699 30 10 IJEE CCc1ccc(S(=O)(=O)N(CCc2ccc(OC)cc2)Cc2cccc(C#N)c2)cc1 586130838 LSHQXNSEOCQQDC-UHFFFAOYSA-N 434.561 4.563 30 10 IJEE CCc1ccc(S(=O)(=O)OC2CCC(NC(=O)CCCc3ccc(C)cc3)CC2)cc1 586509494 VXVGNLSLLMECEJ-UHFFFAOYSA-N 443.609 4.713 30 10 IJEE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609083277 GQKHQOOUQFBKSS-OAHLLOKOSA-N 426.467 4.607 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(F)c(Br)c1 698373475 IVTKVFKTRJIXQI-QGZVFWFLSA-N 428.346 4.732 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1F)[C@@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698871280 UDBHNRFAGUJTGX-XMMPIXPASA-N 439.487 4.872 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698890472 JDLYZWHIKIWGNR-HNNXBMFYSA-N 425.323 4.822 30 10 IJEE C#CCN(C(=O)CCc1ccccc1OCC)[C@H]1CCOc2ccc(Br)cc21 733113944 HVIGCUPDPQRUGQ-FQEVSTJZSA-N 442.353 4.766 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(Cl)cc1 733201653 LNIIXRUJLJBKDL-LJQANCHMSA-N 425.941 4.632 30 10 IJEE COC(=O)[C@H](C)Sc1ccccc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 739595074 FALCHKBBQZNOCZ-HNNXBMFYSA-N 436.558 4.870 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(C)c(F)c1 742213619 KWWRNDFVMFRVSS-FQEVSTJZSA-N 441.503 4.647 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 742214569 ZRJPFFDFOIPCED-JOCHJYFZSA-N 449.551 4.688 30 10 IJEE COc1cc(Br)c(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)cc1O 777467297 JNYVCDUHGXBSLY-RUDMXATFSA-N 428.204 4.790 30 10 IJEE COc1ccc(CNC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1C#N 788815659 YMRYQGRLVFUACC-OAQYLSRUSA-N 433.487 4.533 30 10 IJEE C#C[C@@H](N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1C#N)C(C)(C)C 807935700 TXCNTOZEUQEMCZ-LEWJYISDSA-N 444.560 4.566 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1 812353140 HAJKAPSODOYNDN-SFHVURJKSA-N 426.925 4.514 30 10 IJEE CC[C@@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCCC2)n1 1084033606 IRTDHRCOLNTGLZ-MRXNPFEDSA-N 438.605 4.626 30 10 IJEE C[C@H](CNC(=O)COc1cccc(Br)c1C#N)c1c(Cl)cccc1Cl 1125596555 HELQWAVUQCWXQI-LLVKDONJSA-N 442.140 4.926 30 10 IJEE C=CCCC[C@@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)c1ccccc1 1133167720 DKHOIGCHJISHBQ-HXUWFJFHSA-N 447.348 4.922 30 10 IJEE N#CCCN(C(=O)CCC(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1)c1ccccc1 1149550205 ACJMEVWDFHYXJH-UHFFFAOYSA-N 427.508 4.620 30 10 IJEE C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 1162146783 FISUQNSDRLLPQT-AVRDEDQJSA-N 434.536 4.577 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCCCC3 1188310406 ZTHKPESTEDNJTK-IBGZPJMESA-N 442.606 4.754 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1205498911 TZZFMBSNIYYQBC-UHFFFAOYSA-N 441.531 4.705 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@H](C)CC(=O)Nc1ccc(OC)cc1OC 1206232241 HLZIMHRPDYJZAN-CQSZACIVSA-N 449.345 4.860 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)sc2ccc(C#N)cc12 1211461520 HBVWKWHGCQALJJ-ICSRJNTNSA-N 444.553 4.761 30 10 IJEE C#CCN(C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)[C@@H]1CCCc2ccccc21 1219018108 OMELEXYHQYXFSG-JOCHJYFZSA-N 441.934 4.860 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 1231206617 NSCOKKMUOOTGEX-NZQKXSOJSA-N 429.967 4.912 30 10 IJEE CC(C)C[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)CC(=O)OC(C)(C)C 1231368431 FWDLLMPIAMEMCP-NNWRFLSQSA-N 427.589 4.862 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 1265133734 VWSVFSLBMMEOGU-UHFFFAOYSA-N 442.419 4.596 30 10 IJEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC(C)C)C1CCCC1 1286323259 HXODRZLIEMFDHH-UHFFFAOYSA-N 432.572 4.802 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccncc1Cl 1286518898 MIWZFIWYKRZXBV-WAIKUNEKSA-N 439.922 4.646 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](CN(C)CCC)C1 1286587641 OPJHDVOPKOBBLS-RBUKOAKNSA-N 427.662 4.876 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286649083 IVEPPQNCMFORMB-NLFFAJNJSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(CC)[C@H](C)C1 1286676515 MUIIXWOVUCJGGA-LJQANCHMSA-N 443.661 4.712 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286704289 OPYNOSZFVKAVNV-UHFFFAOYSA-N 448.615 4.862 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccccc1C 1286713350 XAXGGGKVWVPUED-QFIPXVFZSA-N 437.613 4.876 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2CCC[C@@H]21)C(C)C 1286750611 DTIIMEJFRLNZTP-YFNKSVMNSA-N 434.632 4.726 30 10 IJEE CC(C)SCCn1c([C@H]2CCCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1288427250 HAWVWEPKAKKGNW-JOCHJYFZSA-N 437.613 4.827 30 10 IJEE C#CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 1289233889 YVZFEYRDAIWWQD-LJQANCHMSA-N 427.298 4.819 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2CCn2cnc3ccccc32)o1 1289556415 GMPIEROUBMWBNV-UHFFFAOYSA-N 431.544 4.663 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOCc1ccccc1 1300282059 GCTQUWCQYYEOAX-MOPGFXCFSA-N 434.609 4.806 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H](c1cccnc1)C(C)C 1300324248 BZJULFIOYMLXMN-OFNKIYASSA-N 431.584 4.712 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC2(CCCCC2)O1 1300446500 LKOPREFQWFUDPS-GOSISDBHSA-N 428.964 4.558 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(C2CC2)CCC1 1300547209 INYXBKSLKWSYBE-UHFFFAOYSA-N 425.001 4.877 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)SC 1300789607 QXBIARVAALUISH-MGPUTAFESA-N 433.419 4.760 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C2CC2)N(C)C)CC1 1301066207 PDZVTXUSBZXTLY-DYESRHJHSA-N 429.996 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](OCCOC)C1 1301141408 MQMIHECPYJKCOZ-OAQYLSRUSA-N 449.599 4.727 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC[C@H](F)C1)C1CC1 1301331031 BZNLZODTSJTIDB-RDJZCZTQSA-N 449.368 4.913 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cnc(C)s1 1301375882 SNCYVIQZAJYMKK-UHFFFAOYSA-N 448.365 4.838 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCc2cccnc21 1301397432 VJCYZZWVZHJSGB-HXUWFJFHSA-N 433.531 4.690 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCCC[C@H]2C1 1301602849 XFFCGAIFXCHOEP-MOPGFXCFSA-N 442.629 4.898 30 10 IJEE C#CCC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCCC1 1304007262 SZFLONJZUIKDEG-UHFFFAOYSA-N 442.519 4.832 30 10 IJEE Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)c(F)c1 1304366233 BLEUEKAZCHZLCD-IFMALSPDSA-N 439.579 4.823 30 10 IJEE CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1312188627 DCPTVEYXIGAXIJ-JOCHJYFZSA-N 438.547 4.715 30 10 IJEE C=CCC1(CNC(=O)N[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 1312366847 NVJHNZAOBZUFFA-FPOVZHCZSA-N 435.971 4.965 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)C#N)C(C)C 1314056600 AXTKXBDURIWAIP-VQIMIIECSA-N 448.409 4.755 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1 1342304887 LFFPPTBTICXAMX-WOJBJXKFSA-N 433.321 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)CN1CCCCC1 1358878690 BJSYDNCDUKDESM-IRXDYDNUSA-N 434.415 4.832 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1sc(C)nc1C 1358878854 FUBHWXQSUZFTPG-CYBMUJFWSA-N 444.402 4.596 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1358916767 WFSHVQYIWCIEBV-XZOQPEGZSA-N 449.643 4.765 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1358938712 IBYYZPPKWRNYNP-NQIIRXRSSA-N 426.536 4.509 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1C(F)(F)C12CCC2 1358952341 HMNBJLUJEGJKMU-FQEVSTJZSA-N 428.527 4.794 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCSCC(F)(F)F 1358973612 YFWQNHQFHBGCLX-UHFFFAOYSA-N 447.313 4.620 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1ccc2ccccc21 1359014539 MJYHTTUWUPUGMT-FYYLOGMGSA-N 433.600 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1359090758 GCDUZQDLTBVOMN-MZKRTTBSSA-N 440.588 4.741 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1359124287 UVUGCCOJCOETKT-GASCZTMLSA-N 437.407 4.526 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1359161190 TYKMTHKKFURNGU-OXJNMPFZSA-N 434.382 4.540 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359189788 VKLAEQWLNZLIDB-GOSISDBHSA-N 433.641 4.915 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1359193972 MLKRIPFEGSMECZ-GGAORHGYSA-N 447.583 4.511 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C[C@@H]1CC)c1ccccc1 1359195240 JGBZHCDUEMZKGJ-AZKGINQHSA-N 438.616 4.987 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCCC(F)(F)F 1359256747 ORMPKHWIIXEIIM-LJQANCHMSA-N 433.478 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCCNC(=O)OC(C)(C)C 1359263649 IGACEFXDHDATAW-UHFFFAOYSA-N 431.606 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCS1 1359267318 BYRMYBKSJSJKAV-HNNXBMFYSA-N 437.382 4.921 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)c2nc(C)cs2)C1 1359315985 GAZJHAMGPZZALO-KXBFYZLASA-N 444.004 4.948 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(F)cc2Cl)C1 1359325166 ZNACRAQWOAELBJ-FQEVSTJZSA-N 432.971 4.827 30 10 IJEE C#CCN(C(=O)[C@H](CC)c1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 1360557245 RNNJQCXAAZEKEU-CTNGQTDRSA-N 442.353 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 1434912365 SOUVSJGVEUTACN-WFASDCNBSA-N 446.422 4.933 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1434982626 XAFHZTNZQSEGQT-QGZVFWFLSA-N 430.545 4.784 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cc1 1435976692 OJNYGIIFYUBKGA-OFNKIYASSA-N 440.927 4.508 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1 1436646196 ZJSAUSOJYUDUOC-NHCUHLMSSA-N 428.548 4.824 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 1444991314 UWNBTCNMFUJLOL-LJQANCHMSA-N 432.561 4.759 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 1450608564 NOHRCHLQVYPCAZ-ZDUSSCGKSA-N 441.341 4.579 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c1C#N 1460567546 FKKCJGRJCXBNSZ-HTAPYJJXSA-N 443.569 4.586 30 10 IJEE C#CC[C@H](COC)NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 1465970048 HQTCHWXGYBWJBT-LJQANCHMSA-N 439.581 4.509 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 1467547505 AGPAUCGEZSHKTD-RTBURBONSA-N 449.389 4.728 30 10 IJEE C#C[C@H](NC(=O)C1=Cc2ccccc2O[C@@H]1C(F)(F)F)c1ccc(Br)cc1 1468452212 XFVAHPKEHODEGY-WMZOPIPTSA-N 436.227 4.647 30 10 IJEE CCc1ccc(OCc2nnc(Sc3cncc(C#N)n3)n2[C@H](C)c2ccccc2)cc1 1472647287 CTYZQVDGJIGSGI-QGZVFWFLSA-N 442.548 4.842 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 1476150996 RHTKXWFUTNIUSP-UHFFFAOYSA-N 436.515 4.932 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 1476729714 YVSDCWWZVUKTPC-IBGZPJMESA-N 444.373 4.752 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC[C@@H]1C 1507517914 ROEKGZVNAXAATF-MUGJNUQGSA-N 445.007 4.819 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)N(CC)CC 1507649481 XDCNMDQQOHINSN-LJQANCHMSA-N 449.599 4.616 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1507775667 SZXNYTMREGWHKK-PXNSSMCTSA-N 447.421 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507800201 MIGVGYFGVMOLRV-LAUBAEHRSA-N 443.954 4.694 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](CCC)OC)CC1 1507881521 VWZPVSVVNDJZDO-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N(C)C2CC2)CC1 1507882148 RTYYYUCTHOCALZ-ROUUACIJSA-N 429.996 4.711 30 10 IJEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1507969513 CAFDOJZFVOZQIG-LEDOBFOHSA-N 430.980 4.713 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1507973449 DPLSEUMDILCXDQ-SBUREZEXSA-N 432.012 4.740 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1CC(C)(C)C1 1507997565 USBIZDLSBBERTM-UHFFFAOYSA-N 448.615 4.777 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(CC)CC(C)C 1508077404 NGFKEMNKRHRRQS-UHFFFAOYSA-N 441.576 4.597 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1508155337 MKRDCYKESYRFPZ-HXUWFJFHSA-N 436.629 4.922 30 10 IJEE CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1521544653 HKRAMGKTWBIDJP-LJQANCHMSA-N 436.581 4.726 30 10 IJEE O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1ccc2c(c1)OC(F)(F)O2 1521627646 ATIRNKODOGANJP-ZDUSSCGKSA-N 425.256 4.643 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccccc2F)nc1)[C@H](Cc1ccccc1)C(=O)OCC 1522958640 GRZJWYHZIHKUIN-JOCHJYFZSA-N 448.494 4.816 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(C(F)(F)F)cc1 1526561828 SYDRHZNGHZCLDP-GHTZIAJQSA-N 441.453 4.754 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(Br)cc1Cl)c1ccc(Br)cc1 1528089226 XOSJZACTIYWEOX-INIZCTEOSA-N 441.550 4.898 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)sc2c1CC[C@@H](C)C2 1533864180 ARMBSAQOPUFLQW-HUUCEWRRSA-N 426.538 4.716 30 10 IJEE Cc1c(C(=O)Nc2cc(Br)ccc2C2=NCCO2)sc2ccc(C#N)cc12 1535560357 BZKCZASYHFQYKK-UHFFFAOYSA-N 440.322 4.873 30 10 IJEE Cc1cc(C(=O)N[C@@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)nn1-c1cccc(C#N)c1 1537339430 CLHOXGLCNGGMCF-FQEVSTJZSA-N 441.388 4.706 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cc(-n3ccnn3)ccc2F)c1 1538064112 CQOPEMYXJBLIBK-UHFFFAOYSA-N 431.858 4.778 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N1CCC(C)CC1 1538986986 PTDBBHHIWWQYIH-DLBZAZTESA-N 434.415 4.830 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCc1nccs1 1539093696 COULTHQEGVBIIC-INIZCTEOSA-N 429.977 4.620 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[C@@H](C)N1CCCCC1 1539347464 ULJYBZJUOTZGDR-OAQYLSRUSA-N 430.600 4.526 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1Cc1nc(C(C)(C)C)cs1 1539390793 VRDCQXKIABVFLR-UHFFFAOYSA-N 448.571 4.854 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C)C1 1539500144 UDIGYSYWMVMNHE-OAHLLOKOSA-N 433.419 4.619 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cc(Cl)ccn1 1539507632 YCSNGZDRSWZNMW-UHFFFAOYSA-N 448.983 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1Cc2ccc(Br)cc2C1 1539633193 XDBGGCLFTMMXTH-UWJYYQICSA-N 445.405 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](CC(C)C)C1 1539643073 KUUCSQWFZQNMJP-RQTOMXEWSA-N 438.616 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C)C1 1539646239 SLXSDRMZAOVEIZ-FGSXEWAUSA-N 430.980 4.728 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCC[C@H]1C 1539945312 NBKLWSRWNJPKOP-WPWBMXPQSA-N 440.588 4.524 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539982666 POKUFMAPJDVXCS-SFTDATJTSA-N 439.604 4.890 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H](C(C)C)N1CCCC1 1540142080 HHVIUHHVWDEIIA-FGZHOGPDSA-N 443.661 4.894 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCO[C@H]1CCCC[C@H]1C 1540142597 MQGNHXZGQCQJGU-NQIIRXRSSA-N 440.617 4.528 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cccs1 1540177406 OMPZSTVIDQQCDT-IBGZPJMESA-N 443.617 4.833 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(F)(F)F)C1 1540896450 LYRJWIKZSIMFND-AWEZNQCLSA-N 432.899 4.567 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2cccn2)CC1 1540910932 KNZTZIWFORKXPC-UHFFFAOYSA-N 436.629 4.540 30 10 IJEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC2CCCC2)CC1 1541520741 HAPTXMKKHIPGBB-UHFFFAOYSA-N 437.588 4.703 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 1542727579 GQFHUMNXEFCNHN-UHFFFAOYSA-N 441.300 4.976 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(F)c2F)CCCC1 1556184813 HCBJOUMKOGBNNG-QGZVFWFLSA-N 442.934 4.929 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(SCCN2CCCCC2)cc1 1557147437 GFXJBHYUJUVWPV-OAQYLSRUSA-N 445.629 4.510 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C 1557510570 NXQJZTALSZZEPZ-PMACEKPBSA-N 434.552 4.754 30 10 IJEE CC[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC[C@H]1NC(=O)OC(C)(C)C 1559158558 AYFDMZHMCZAANO-MLGOLLRUSA-N 426.330 4.589 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1ccc(OC(=O)C2CC2)c(OC)c1 1560879761 KJCKRSQXTIJHBM-UHFFFAOYSA-N 432.314 4.950 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc(C(F)F)cc1 1561678381 HWVMZAOFFJPLDQ-CYBMUJFWSA-N 432.414 4.887 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccnn1Cc1ccc(OC)cc1OC)c1ccc(F)c(F)c1 1562675573 IILNBKJKDPQEGB-JOCHJYFZSA-N 442.466 4.666 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(Br)ccc1OCc1ccccc1)C(=O)OCC 1569184504 PKPQDPCWCRJPNW-IBGZPJMESA-N 446.341 4.656 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1583579905 WRDGIEONOHCWSU-AZUAARDMSA-N 430.907 4.578 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c1 1586641001 HSOVZKHMBHSKNJ-YTQUADARSA-N 444.984 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CC[C@@H](C)C1 1587600404 YLDSQWYHQPCTQY-OWCLPIDISA-N 431.378 4.610 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H](C)[C@@H](C)c3ccc(Cl)cc3)n[nH]2)c1C 1587735346 ADBCOSIOWQUARW-ZBFHGGJFSA-N 425.964 4.994 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC(F)(F)C1 1587823766 YAWGTLDUFNIIQD-UHFFFAOYSA-N 429.334 4.664 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1588016371 PFBVITFZHNKQDO-NZQKXSOJSA-N 438.616 4.819 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCO[C@H]1CCCC[C@H]1C 1588016446 PFBVITFZHNKQDO-OFNKIYASSA-N 438.616 4.819 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1C1CC1 1588197955 AHFMPPRRFWXTIH-RUZDIDTESA-N 443.639 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1589215695 CZFYEXXELYXIBY-XMMPIXPASA-N 445.652 4.942 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1589460155 KWLUBWIEGKZBDN-RBUKOAKNSA-N 447.377 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)C[C@H]1CC 1589516029 VPAQSZWGSFMPHZ-ZQAYVECASA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CC)CCCC1 1589658128 TVABQFNWVSFXAG-UHFFFAOYSA-N 437.636 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1sc(C)nc1C 1589688028 XXRBAAFFHNKPNP-UHFFFAOYSA-N 425.602 4.998 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1593931878 BIHAHLGQAAADGI-CRAIPNDOSA-N 439.412 4.982 30 10 IJEE C=C(Cl)Cn1c(N(CCC)Cc2ccc(F)cc2C)nnc1[C@@]1(OCC)CCOC1 1593932357 HVRSEXCZVAJUKY-JOCHJYFZSA-N 436.959 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccccc2F)C1 1594483951 JSSSXRSLNVWTCS-QFIPXVFZSA-N 435.547 4.968 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1594824471 IKLSHECPSSIJRY-NRFANRHFSA-N 437.613 4.529 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1595100063 MMPKVIJVKBULSU-AOYPEHQESA-N 433.600 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1595149156 KRRNMKRTVVIEFU-TZIWHRDSSA-N 433.581 4.622 30 10 IJEE C=CCCC[C@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(=O)OC 1596244713 PNOCQRDAJIJEOV-INIZCTEOSA-N 434.945 4.590 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CCC[C@@H]1CCCCO1 1597724928 ADOYODWEXHEEHR-BHDDXSALSA-N 443.636 4.676 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(C)C)C1)OC 1613503262 CHTXTMKGUYJBAV-XZOQPEGZSA-N 439.604 4.519 30 10 IJEE CC(=O)c1cc(Cl)cc(CN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1O 1615984044 JPTVUMURKWNYDY-UHFFFAOYSA-N 446.894 4.909 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)c1ccc(F)c(F)c1 1617339623 YXUYKHBTFLDKOJ-FQEVSTJZSA-N 434.508 4.537 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2nccs2)CC1 1620356736 HMZLEGRYVHCUES-UHFFFAOYSA-N 430.940 4.567 30 10 IJEE C#C[C@@H](N[C@H](C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)C(C)(C)C 1621365967 DIXNXGYXFZAPSF-VQIMIIECSA-N 426.582 4.946 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)c2ccco2)cc1 1622245709 GHXFHGQWDUMYEK-NRFANRHFSA-N 438.530 4.751 30 10 IJEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)CCCCC1 1624190741 XDLNYEXLKNIEMW-UHFFFAOYSA-N 442.581 4.895 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(Cl)cc(C(=O)OC)c2O)s1 1627121454 FLWMLJNXOSABDD-UHFFFAOYSA-N 447.365 4.623 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 1627816777 KPUNWQZSONMTHD-UHFFFAOYSA-N 437.912 4.861 30 10 IJEE C=CC1(CC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)CCCCC1 1632566839 SGOWDPKZTZTHKX-UHFFFAOYSA-N 444.553 4.667 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](C)Oc3cc(C)ccc32)cc1 1641984300 DEQWPBNMHMTUFB-QGZVFWFLSA-N 444.535 4.509 30 10 IJEE C=CCN1CC[C@@H](N(C)Cc2ccccc2Oc2ccc(Br)cc2F)C1=O 1648367213 XPFPZUWJVJOLTO-GOSISDBHSA-N 433.321 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)CC 1649541994 JGPBBGIBOLFHSO-UHFFFAOYSA-N 436.604 4.904 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)Cc3cnc(C)s3)c2C#N)C1 1652299121 DBXOUSHAWIEBPG-HNNXBMFYSA-N 430.643 4.996 30 10 IJEE N#Cc1ccc(S(=O)(=O)CCN[C@H](Cc2ccccc2)c2nc3ccccc3s2)cc1 1653615619 DKSPXUQYJBVFBH-JOCHJYFZSA-N 447.585 4.515 30 10 IJEE COc1ccc(OC)c(NC(=O)CN(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 1653667510 DCOKBOIJLQDVDG-UHFFFAOYSA-N 433.483 4.668 30 10 IJEE COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cccc(Cl)c1 1654638894 FMSFPVMDNSECEH-KUHUBIRLSA-N 431.989 4.704 30 10 IJEE C#C[C@H]1CCCCN1CC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)OCC 1656426811 SZDUAOKSRXZKOL-KRWDZBQOSA-N 430.957 4.671 30 10 IJEE Cc1nn(C)c(N2CCN(Cc3ccccc3Oc3ccc(F)cc3Cl)CC2)c1C#N 1657804487 HHMROLQGFNZWAM-UHFFFAOYSA-N 439.922 4.507 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1)C(C)C 1661474993 UNZKLSDAQNGSSN-QGZVFWFLSA-N 437.972 4.818 30 10 IJEE COC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 1668746701 DNYPEAPOJODLPG-LJQANCHMSA-N 435.524 4.643 30 10 IJEE N#Cc1ccc(F)c(CS(=O)(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)c1 1668902117 BPMOUHCKVLFXGQ-UHFFFAOYSA-N 427.328 4.545 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc2cc(F)ccc2o1 1669894153 DRQCUUCVMPQQOU-GFCCVEGCSA-N 426.391 4.694 30 10 IJEE CC(C)Oc1ncc(Cl)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1671863919 DKCHAUATRJIGHV-UHFFFAOYSA-N 432.883 4.608 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 1672214357 MFNKIHGDDVHQHL-MRXNPFEDSA-N 443.700 4.662 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1)c1ccc(F)c(F)c1 1681553408 YKRLAMDVDBGPQH-XRODADMRSA-N 425.523 4.746 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1681783399 JWPGIYJPPQJHKG-XXBNENTESA-N 435.515 4.767 30 10 IJEE C#C[C@@H](NC(=O)N(CC)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1683521514 GVANJTUXCNOUPG-LJQANCHMSA-N 437.943 4.584 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)c(F)c1 1686174137 YFBUXCJSHNQEAD-XMMPIXPASA-N 449.501 4.903 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 1686762650 YCPBDSXTZPLMDE-RBBKRZOGSA-N 434.515 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(OC)CCC(C)CC1 1689829368 XSLZMDCSJIFRLZ-FZQSFKQPSA-N 428.552 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2ccccc2)nc1 1689856296 NLHNRRJMMKRDPH-SFHVURJKSA-N 429.549 4.624 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C(C)C)N1CCCC1 1690063765 OWHUNMVRQLLJDF-CTNGQTDRSA-N 439.673 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1Cl 1690251865 ZYKDSHNIBOMCHH-NFBKMPQASA-N 437.975 4.535 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1690305829 JHNHNQIEWNTJCS-LJQANCHMSA-N 440.588 4.572 30 10 IJEE C=C(Cn1c(N(C)[C@@H](C)c2ccco2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690326304 YYKQTAJSOFCIQL-NBGIEHNGSA-N 436.556 4.823 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1690472056 BUTYRXQGVYZMBS-LJQANCHMSA-N 445.405 4.927 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1690539860 OZGIEHIQIKLNJN-RXVVDRJESA-N 439.560 4.849 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N1CCC(C)CC1 1690565091 ACPZKIQTDIPIQH-ISKFKSNPSA-N 437.632 4.833 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1690613243 ALWKTIPHUKYUQN-IBGZPJMESA-N 446.039 4.748 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(C(C)C)CC2)cc1 1690679848 AYJBBKUJUHAORX-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccsc1)C1CC1 1692336936 GVIZIVFCRNMSDO-DEOSSOPVSA-N 435.597 4.801 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N 1693641425 FUMNALAEURHIQY-SSSFQFABSA-N 431.625 4.530 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@@H](C)N1CCCCC1 1705604460 MOEYFCHMHJHXBA-WOJBJXKFSA-N 444.023 4.796 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 1705680405 AHUPFXRLABQRTI-HNNXBMFYSA-N 430.350 4.835 30 10 IJEE C=C(Br)Cn1c(N2CC[C@@H]3CCN(Cc4ccccc4)[C@@H]32)nnc1C(C)(C)C 1705692757 RTKKSVWBVCSCTP-RBUKOAKNSA-N 444.421 4.543 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](OCCC)CC1 1705695356 ILFJPKDCHPIONB-ONTIZHBOSA-N 428.577 4.613 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1705789032 WERHFVPRSYBHEX-UHFFFAOYSA-N 447.583 4.801 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(F)c1 1705794407 HJPJSYQOXMZECZ-UHFFFAOYSA-N 441.576 4.647 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CC(C)C)C1)c1ccccc1 1705794995 AGRQEGDSWPAMQU-GGAORHGYSA-N 435.616 4.746 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H]2C[C@H]1CO2 1705814650 VWKJOVPEMHMVLJ-GJZGRUSLSA-N 437.769 4.695 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705821500 ZFTBQWFLGIILQP-UHFFFAOYSA-N 449.574 4.920 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCCCCC1 1705878190 KBANHHXQGOZJCH-UHFFFAOYSA-N 444.627 4.760 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC=CO1 1705878551 SJQKAUYIXSDUOP-JOCHJYFZSA-N 435.597 4.562 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CCc1cccs1 1705889809 FXYLXGUSLWVIEA-SFHVURJKSA-N 445.633 4.709 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[C@H]2C[C@H](F)C2)C1 1705927857 HVACUKZBMOOQAY-VAMGGRTRSA-N 430.593 4.798 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CC(C)C)CC1 1710564648 APDNMLWYJGEAMN-DEOSSOPVSA-N 441.551 4.524 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)N1CCCCC1 1722404070 OVYVRDFHENCYEZ-UHFFFAOYSA-N 434.415 4.976 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC(F)(F)C1 1722422529 YABVCSVRDRFYDY-SFHVURJKSA-N 430.543 4.764 30 10 IJEE C=C(C)COCCn1c(N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nnc1C(C)(C)C 1722536929 SQYZEURAQCAKQF-JTHBVZDNSA-N 439.648 4.658 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCCOCC)CC1 1722561256 MMTPXSIYJSRYKP-UHFFFAOYSA-N 425.396 4.742 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Sc2ccccc2)CC1 1722567350 VJBJCPMBOSCHPK-KRWDZBQOSA-N 425.627 4.971 30 10 IJEE C=CCCCCn1c(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)nnc1C(C)(C)C 1722609576 FCVJHQZSQJZMMP-UHFFFAOYSA-N 441.595 4.604 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cl)=C(Cl)C1 1722628102 WBKFNCVYBRXYCR-CRAIPNDOSA-N 443.419 4.689 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1722628950 DCSBGSWIBXVSRH-IBGZPJMESA-N 436.604 4.720 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@](C)(O)C1CCCCC1 1722656854 KELOJXVCSGSKIF-SANMLTNESA-N 433.600 4.941 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1722664893 BOCJVJGPONBTEI-ZILOHOTNSA-N 442.991 4.881 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2CC(C)(C)C2)C1 1722721703 JBSQPUYWDOLCOE-IBGZPJMESA-N 442.629 4.797 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722742908 KNAMUQUTPKPEIW-JOCHJYFZSA-N 440.657 4.504 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1 1726548343 HOTYALGHPJFBEQ-IBGZPJMESA-N 434.613 4.779 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)C1 1727338261 GIDDBRHAJVTKSJ-VQTJNVASSA-N 425.552 4.883 30 10 IJEE CCCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)[C@H](C)CC#N)CC1 1727969416 BLNOYBBBTIRHEY-GOSISDBHSA-N 444.624 4.711 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCCC2(CCCC2)C1 1740583525 QNZSQOHIJZBRQC-UHFFFAOYSA-N 430.394 4.620 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N[C@H](C)CC 1740663731 RFOFJINPPUFOOT-OAHLLOKOSA-N 444.004 4.578 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCC(C)CC1 1740664299 LMEHOWISMHDINJ-UHFFFAOYSA-N 439.673 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCCC(C)C)CC1 1740753846 AFGWGKKVFZLGBY-REWPJTCUSA-N 442.604 4.859 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CC[S@](=O)C(C)(C)C 1740776739 AZARZIDPZHWWSU-LJAQVGFWSA-N 434.675 4.828 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1 1740816484 GKLNVUINRRZHOS-SJORKVTESA-N 447.967 4.690 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2csc(C)n2)CC1 1740842386 YCFJTRKMVOINOS-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1740869218 GAAZJAILXLRMLW-INIZCTEOSA-N 434.466 4.870 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1CC 1740875257 XLWGDZLTGTUXAN-WIYYLYMNSA-N 434.588 4.656 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@@H](C)C1 1740939849 JQKUSXDODDVHLH-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1740975151 MOJUHHKRFNACGI-CTNGQTDRSA-N 441.526 4.814 30 10 IJEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1746034924 GPHFWZWMVZJXMT-PKTZIBPZSA-N 448.615 4.624 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CCC)CCC 1748714965 MBCICAXMFJBGMK-UHFFFAOYSA-N 431.625 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1749124963 RWMPGWYNWKIVOK-LQWHRVPQSA-N 430.593 4.787 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 1749135289 DJMUWLGJGABKPG-DENIHFKCSA-N 448.533 4.823 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2C[C@H](c3cccc(F)c3)C2)CC1 1749285594 PQRMNWVZRVJURC-XGAFWQRZSA-N 425.552 4.611 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2ccnc(OC(F)F)c2)CC1 1749335869 XMDFQYPOKMICJQ-UHFFFAOYSA-N 429.446 4.531 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1SC)C1CC1 1749508298 NOCNEPPSGZHEQO-XMMPIXPASA-N 442.629 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCCCC1 1749541534 QZUKEDWZCKLFJI-UHFFFAOYSA-N 448.590 4.936 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1749557434 ITPJNNUINXPWBI-FCBCXNLDSA-N 441.664 4.640 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCc2sccc2C1 1749645607 DMVNEGMXXHBQBZ-KRWDZBQOSA-N 429.590 4.550 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC(F)(F)F)C1 1749718387 CUSAWXIPNXKZLX-KRWDZBQOSA-N 444.885 4.634 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](C)C1 1749744490 LCWKUDQQCNDXJP-NSHGMRRFSA-N 430.618 4.568 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@](C)(OC)CC1 1760149331 GBAIHFMUCYDKJJ-AREMUKBSSA-N 448.567 4.926 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H](c1ccco1)N(C)C 1760241906 NZAPRMQLGOXMTK-JOCHJYFZSA-N 435.547 4.611 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1Cc1cccc(COC(C)(C)C)c1 1760295840 IQDSNYPGMUURBG-HHHXNRCGSA-N 443.595 4.619 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1760304714 DJENMJYLJUAPQK-UHFFFAOYSA-N 436.716 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)C1CCC1 1760317736 JXINUXIDWYSUOT-XXBNENTESA-N 440.588 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CCN(CC)C(=O)OC(C)(C)C 1760339363 GEAXYMJQXRZUGI-UHFFFAOYSA-N 433.622 4.590 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)[C@@H]1C 1760342233 BQTCQJVOSNKHJM-QWHCGFSZSA-N 425.371 4.753 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)NC2CCCCC2)CC1 1760383907 DASUEMYEFREAPZ-UHFFFAOYSA-N 427.980 4.594 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC2(CC2)C1)c1ccccc1 1760416436 CZTBZIOHBYWHLA-NRFANRHFSA-N 435.616 4.937 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760447485 OOWADDFNVLHFLZ-MSOLQXFVSA-N 448.995 4.668 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@H](OCC)C(C)C 1760458344 YQBHQDNTEQNWMK-AWEZNQCLSA-N 427.412 4.843 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1scnc1C 1760563304 MWPFKSNZTKFUQB-UHFFFAOYSA-N 436.610 4.814 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCSC(C)(C)C1 1760563618 XBRHCICCFQHJLH-UHFFFAOYSA-N 425.627 4.744 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H](C)C1 1760568907 WUMMTJALSQHRQH-QRVBRYPASA-N 449.665 4.752 30 10 IJEE Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)on1 1762679594 BSBLZWWIDCNXNU-OPAMFIHVSA-N 440.935 4.546 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC4(CCCC4)C3)n2CCCC(F)(F)F)cc1 1771534498 CXFCUJXTTAOUIM-UHFFFAOYSA-N 433.478 4.842 30 10 IJEE CC[C@H](C)OC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1858698280 MBGFIZSKPXVGHS-KGLIPLIRSA-N 442.541 4.504 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 1862384128 PHAIRBAYHDYAAE-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1F 1862412095 WODHUXOCOUMCSB-QHCPKHFHSA-N 449.453 4.882 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC)cc1OC 1862423515 DYPOKLPPJPRPPM-OAQYLSRUSA-N 445.462 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862433176 WRJNRJQNVINWRC-IBGZPJMESA-N 434.319 4.734 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccc2)cc1 1862434458 ZCZKDPVYEWIIBN-NRFANRHFSA-N 447.874 4.817 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3c(c2)OCCO3)c1 1862494527 MWRKHLBMVWLSKS-QHCPKHFHSA-N 435.520 4.699 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2Cl)c1 1862561330 SXOKLXBEYNMZCO-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)ccc1O 1862585935 IJWXKAVMQKHFJL-LJQANCHMSA-N 448.302 4.838 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc2cc[nH]c2c1 1862627137 KVLUAIMKZOSVLH-QFIPXVFZSA-N 432.476 4.665 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(Cl)c1 1862653240 PDOTZZSNHBFHPB-QFIPXVFZSA-N 434.923 4.633 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862980689 BABHXBJCQRWAHX-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1863211340 MKQSPNCGDNBPBP-SFHVURJKSA-N 437.499 4.910 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(CCCN(C)C)C1=O 1863655482 WRVQTAZXKGUKNN-UHFFFAOYSA-N 449.586 4.727 30 10 IJEE CCCCOC(=O)c1ccccc1NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868171810 UENYEUXXMCRPLM-HXUWFJFHSA-N 425.554 4.620 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1cc(Cl)ccc1C 1870844840 VWZBAHHHRDQSBU-UHFFFAOYSA-N 432.948 4.720 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCN(C)C)C4)C2=O)cc1 1871352577 QSFXGARSUWWFDH-IWIPYMOSSA-N 449.595 4.561 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1cccs1)O2 1871420526 BMIRFIFYQWWARH-ODLFYWEKSA-N 436.445 4.598 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)s1 1871424927 BRIXETXHEWZVGV-QJISPJEISA-N 441.534 4.574 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)c1 1871455910 BOZCABJHASWHIN-OYKKKHCWSA-N 428.488 4.695 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)CCC 1871833745 SOSINZVMCFQANW-QHCPKHFHSA-N 428.598 4.937 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872239867 DBISBHPZTYFLNI-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1cccs1 1872492627 CCWDOXASNMFJLK-DYESRHJHSA-N 434.627 4.931 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](C)CC 1872613998 WYEVSDIJYYMHJJ-RXVVDRJESA-N 428.614 4.776 30 10 IJEE Cc1cc(-c2csc([C@@H](C#N)C(=O)CNC(=O)c3ccc(Cl)cc3)n2)ccc1F 1872772414 OMTIDOOPYDTTET-INIZCTEOSA-N 427.888 4.517 30 10 IJEE COc1cc(/C=N/Nc2oc(-c3cccs3)nc2C#N)ccc1OC(=O)c1ccccc1 1873462075 MQQALFHYLZSISD-AFUMVMLFSA-N 444.472 4.949 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc2c(NCCC(C)C)ncnc21 1873611305 TVJUWOIFBNKRCP-UHFFFAOYSA-N 442.907 4.889 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2cccn2C)cc1 1874306448 XQESXCFKMJKDTL-WGOQTCKBSA-N 449.555 4.724 30 10 IJEE C(=N/n1c(CCOc2ccccc2)nnc1SCCc1ccccc1)\c1cccnc1 1874346401 NBZSZQMZMJQLJG-LGUFXXKBSA-N 429.549 4.512 30 10 IJEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874354290 BNLRUBXTGFMUDI-BUVRLJJBSA-N 440.569 4.787 30 10 IJEE Oc1ccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)cc1 1874355672 VUVKTCBRDZGORI-MFKUBSTISA-N 430.533 4.875 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1 1874452000 YKWFKINPMVBCFN-TYLRVVQJSA-N 432.908 4.802 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)c1 1874461395 LHRNOOSODIAMEL-YSURURNPSA-N 440.422 4.628 30 10 IJEE Cc1ccc(COc2ccc(/C=N/n3c(SCCCO)nnc3-c3ccco3)cc2)cc1 1874467587 QRAXZVIPYGALBY-PCLIKHOPSA-N 448.548 4.782 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)c1 1874493616 VZXYXXGYRGHPOG-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1Cl 1874619124 KTOOGWHRJMRTMT-JXMROGBWSA-N 431.916 4.501 30 10 IJEE CCC(=O)Oc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)c(Br)cc1OC 1874694359 ZDGXJESQSNZJIL-SOFGYWHQSA-N 449.297 4.686 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)[C@H]1CCCO1 1874702831 LWZYZXRJBHLCCN-JBVUFVISSA-N 445.309 4.747 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3cccc(-n4ccc5ccccc54)c3)C2)c1 1891611959 SFTDEOMFOBWAHS-NRFANRHFSA-N 436.515 4.828 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 1922067602 CLILIZMMPMVVFO-TZRRMPRUSA-N 448.648 4.676 30 10 IJEE N#Cc1cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)ccc1F 1952789541 QBXZXTCNLIKTRX-BKMJKUGQSA-N 442.446 4.536 30 10 IJEE CC(C)(C#N)OCCOc1c(Br)cc(Br)cc1Br 2048770872 KWOZHKURYWNIBR-UHFFFAOYSA-N 441.945 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2065622944 VVGRCMPWNUNRMD-NTKDMRAZSA-N 445.560 4.736 30 10 IJEE C[C@H]1C[C@@H](CNc2cc(Br)cc(F)c2C#N)CN(C(=O)OC(C)(C)C)C1 2115930615 ZOLCYQJJWFVSLZ-STQMWFEESA-N 426.330 4.765 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CCC(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2124542632 HLRFDAIVPIVCFV-UHFFFAOYSA-N 444.381 4.707 30 10 IJEE CCOc1cc([C@@H](C#N)N(CC2CC2)C(=O)OC(C)(C)C)cc(Br)c1O 2131260837 NLIPHLWSRZLJTP-OAHLLOKOSA-N 425.323 4.765 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)N(c2cccc(Br)c2C#N)CCN1C(=O)OC(C)(C)C 2174817532 POKAKXQCEKUOAE-IAQYHMDHSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(C#N)cc2Br)CC1 2181107649 KJDKNFVUFOMKIQ-LSDHHAIUSA-N 436.350 4.733 30 10 IJEE C=C[C@@]1(Oc2ccnc3cc(Br)cnc23)CCCN(C(=O)OC(C)(C)C)C1 2198826287 DRSPHPSTSOACAU-HXUWFJFHSA-N 434.334 4.727 30 10 IJEE CCN[C@@H](C#Cc1ccc(C)cc1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223325917 GUYLLBJMWAHTDJ-LOSJGSFVSA-N 436.596 4.825 30 10 IJEE CC(C)(C)[C@H]1CSC(=Nc2ccc(Br)cc2I)N1 2223678599 DXJFHXHWBDNQEZ-LLVKDONJSA-N 439.160 4.792 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 2235733092 TWUCMLNOXJPLIH-DOTOQJQBSA-N 445.348 4.717 30 10 IJEE C=C(COCc1ccccc1)[C@H](CC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)NCCC 2252730467 DZWZAWPPHUBLCX-GOTSBHOMSA-N 432.605 4.544 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(OC)c1 2281477503 NAXWRZCWQUCJRQ-PKOBYXMFSA-N 439.394 4.805 30 10 IJEE CC1(C)OB(c2cc(Nc3c(Cl)cc(F)cc3Br)ccc2N)OC1(C)C 2283022108 XRKZNJBDMWEPIU-UHFFFAOYSA-N 441.537 4.867 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@H](CC)CN1C(=O)OC(C)(C)C 2296296873 SPOGTJUTHYTUQD-DBVUQKKJSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2ccc(Br)cc2)CCC12CCC2 2296297193 WIZGEOLXULWSOJ-HKUYNNGSSA-N 433.390 4.698 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccccc1 2296773783 LZBCTYNUIBKPOH-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 2305316647 NTJSQXCEURLEAC-SQJMNOBHSA-N 430.589 4.801 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2306530886 ZGDULVYHZQIUHX-JOCHJYFZSA-N 438.515 4.554 30 10 IJEE CCCOc1ccc(C=C2SC(=Nc3ccc(O)cc3C(=O)O)N(CC)C2=O)cc1 2314926969 WORIDUMCLUUXHK-UHFFFAOYSA-N 426.494 4.503 30 10 IJEE Oc1ccc(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc1Br 2322183801 UFNSVKVYZJFLCE-UHFFFAOYSA-N 447.402 4.676 30 10 IJEE CCc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCn3ccnc3)C4)C2=O)cc1 2322374084 WJMVKLJFIQPCLR-UHFFFAOYSA-N 429.520 4.612 30 10 IJEE CCOc1ccc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)c(OCC)c1 2323874537 VXOGVOUHTUNFHB-UHFFFAOYSA-N 425.510 4.840 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1 2325718716 DQQAJQGYNCJNDF-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O 2325743454 YTFJXZBFNAJSKE-UHFFFAOYSA-N 436.552 4.705 30 10 IJEE O=C(C=Cc1cccc(OC(=O)c2ccc(F)c(F)c2F)c1)c1ccc2c(c1)OCCO2 2325745639 VPPMLGYMYOJUFM-UHFFFAOYSA-N 440.373 4.990 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc(OC)c1O 2327117329 WQXPZBUETVNJHV-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cc(Br)ccc1O 2328767221 OAJZEVSCCKGLKQ-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)c1 2330785608 SUZBVRGATHCQDC-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2F)c1 2330819827 MATBMQOTUGCUTK-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)cc1OC 2330919424 QKHDDUGGBVRLQN-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2331071691 DJGIGHQAUIYIBE-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE O=C(CSc1nnc(C(F)(F)F)n1N=Cc1ccccc1Cl)Nc1ccccc1 2331109193 LINPGPLSKJLOTJ-UHFFFAOYSA-N 439.850 4.563 30 10 IJEE COCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331245563 XSWREMXDGCNSRZ-UHFFFAOYSA-N 445.932 4.512 30 10 IJEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc(O)cc1 2331295805 GQXCQHXVKCQBMW-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccs1 2331349332 LBPJUFAIAUOCNM-MRXNPFEDSA-N 427.599 4.534 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c1 2331396897 LGIWWLDCKZWETQ-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cncc(C)c1 2331556449 HVXRDJSJXLWEMT-UHFFFAOYSA-N 439.414 4.801 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccccc1F 2331632295 UHHAESULYWFASP-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@@H](N)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360197231 ILSLFIQELDRHTD-LWYYNNOASA-N 433.390 4.554 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2OCc2cc(F)ccc2Br)OC1(C)C 2364936612 DDCIVXKKQLXCPI-UHFFFAOYSA-N 442.521 4.515 30 10 IJEE CCN(CCCOCc1ccccc1)Cc1ccc(C#CCCO)c(Br)c1 2377351715 ZFNVDAJQOGWAIO-UHFFFAOYSA-N 430.386 4.612 30 10 IJEE Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Br)c1 17099408 NQQXXAGHCNTRPD-QVKFZJNVSA-N 435.325 4.765 30 10 IJEE Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 20327896 ZWMVTWCVWLTNMI-NRFANRHFSA-N 447.520 4.809 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccs3)n2)cc1 20834173 ZHXBJNMTUNGGGK-HADWXUJASA-N 428.587 4.947 30 10 IJEE CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)ccc1O 28053068 DIWVNHWYFWBXRO-MWTRTKDXSA-N 432.476 4.751 30 10 IJEE COc1cc(/C=C\C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC#N 33660114 OCVWXUABCKKVBE-ZSOIEALJSA-N 427.456 4.704 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1 35444898 HNTDVKVWOMIUIB-KYEJRSDJSA-N 425.484 4.613 30 10 IJEE C=CCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)c2ccc(F)cc2F)c1 37601141 GUHJNPYHMFLRCL-UHFFFAOYSA-N 434.486 4.965 30 10 IJEE C=CCc1ccccc1OCCCCn1c([C@H](C)NC(=O)[C@H]2CCCO2)nc2ccccc21 40196322 LUAYJFPSGCSJFG-NBGIEHNGSA-N 447.579 4.980 30 10 IJEE C=CCc1ccc(OCCn2c(CNC(=O)C(CC)CC)nc3ccccc32)c(OC)c1 40275092 ZCRQYHSZUIEJNK-UHFFFAOYSA-N 435.568 4.905 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 41358096 DYGSMJAIPXNPID-UCQKPKSFSA-N 430.456 4.777 30 10 IJEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)cc1OC 41645345 DUBYYSHSHWHJBV-JJFYIABZSA-N 433.460 4.574 30 10 IJEE O=C(c1ccc(C(F)(F)F)s1)N1CC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96310028 FPNKWWQOHZOQFK-FQEVSTJZSA-N 449.502 4.625 30 10 IJEE biogenic CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Br)cc2)c1=O 97474801 PBEBYTWSVFEKNL-YHYXMXQVSA-N 437.131 4.900 30 10 IJEE Cc1nc(COc2ccc(/C=C/C(=O)N[C@@H](C#N)c3ccc(F)cc3F)cc2)cs1 111029847 YODOZZKTVDYNQU-ZSIUJALASA-N 425.460 4.703 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1O 169942687 XJQUPNNKAKWHGL-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)c1 169981962 RUPHFAUNRDOSBC-JOCHJYFZSA-N 447.512 4.865 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccnc2)c1 170000906 YTPVZIKFOMGRPO-XMMPIXPASA-N 428.488 4.582 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2C)[C@H]1c1ccncc1 170018603 IFOMGPLCYBVMDN-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170031349 XZNGKDWZYBOWGX-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2ccccc2C)cc1 170088463 DIKMOWODVXZUAB-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCOC(C)C 170122120 HIVDSVKTYSEFQS-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE CCOc1cccc(NC2=C(c3ccc(C)cc3C)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170146064 URAPHISRGBYQSN-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccn1)c1ccc(Cl)c(Cl)c1 170178999 LUDVEZKRXVMEBV-IBGZPJMESA-N 440.286 4.562 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C[C@@H]1CCCO1 170273687 IGKUVIRMMLUYCY-NZQKXSOJSA-N 435.520 4.540 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4O)[C@@H]3c3ccc(C)o3)oc12 170301204 JLBOCXWKIZWAKD-OAQYLSRUSA-N 445.427 4.831 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc2c(c1)OCCO2 170325824 CNSZMLQWEHLJAA-JOCHJYFZSA-N 433.460 4.582 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 170428593 LVRQVRMMARWIBS-SFHVURJKSA-N 426.469 4.569 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(O)cc2)cc1OCC 170448866 XALUMLUKEZCVFV-QFIPXVFZSA-N 449.459 4.566 30 10 IJEE COc1ccc(/C=C2\S/C(=N\N=C/c3ccccc3OC)N(Cc3ccco3)C2=O)cc1 210594417 WKCSTEDCZFEZML-DOSRWIIRSA-N 447.516 4.803 30 10 IJEE Cc1ccc([C@@H](C#N)C(=O)c2cc(I)ccc2Br)cc1 235925228 DUBKMRBLYTXSKH-CQSZACIVSA-N 440.078 4.852 30 10 IJEE CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1 252597044 COHDXUKTNDSKID-RZZJTRJGSA-N 433.327 4.787 30 10 IJEE CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Br)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 256518017 ZNELXLYMMBIRSK-UMNIPNIZSA-N 449.385 4.908 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(c2ccc(O)cc2)CC1 460951025 HYFIHEUGTLKFHM-UHFFFAOYSA-N 427.552 4.947 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 475566549 SWUAWNVNFBPQJV-UHFFFAOYSA-N 445.560 4.539 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC2(c3ccccc3)CCCCC2)CC1 505190189 LDZDSZFJZUDJOD-UHFFFAOYSA-N 444.535 4.998 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 508890040 VITYZDUQRPFXHE-HXUWFJFHSA-N 445.611 4.585 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC 515333415 OTDOXQFYOAOZFT-QHCPKHFHSA-N 443.551 4.895 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 521718094 PGINLBKZZKNFNB-UHFFFAOYSA-N 436.390 4.792 30 10 IJEE N#Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(I)cc2)ccc1F 536059435 PJFBXPOOIRUHOF-QGZVFWFLSA-N 435.240 4.671 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)COC(c3ccccc3)c3ccccc3)CC2)c(F)c1 553209354 BEWOFBODBNFHFR-UHFFFAOYSA-N 444.506 4.873 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 586506633 MGMYIKRQQPUJIU-UHFFFAOYSA-N 446.327 4.579 30 10 IJEE Cc1ccc(CCCC(=O)NC2CCC(OS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 586508789 NHCIKGMUZZFJKJ-UHFFFAOYSA-N 443.609 4.767 30 10 IJEE Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 610030451 DYPUYIVETKVEKP-LJQANCHMSA-N 427.504 4.687 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C 682803625 IEENNYCFYPYVIE-UHFFFAOYSA-N 429.568 4.668 30 10 IJEE C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)NC(=O)C[C@@H](CC#N)c1ccccc1 796810133 GBZDEFFRVUQSOH-DZGCQCFKSA-N 425.337 4.588 30 10 IJEE C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)NC(=O)C[C@@H](CC#N)c1ccccc1 796810136 GBZDEFFRVUQSOH-UKRRQHHQSA-N 425.337 4.588 30 10 IJEE Clc1ccc(-c2nnc(CSc3n[nH]c(NN=Cc4ccccc4Cl)n3)o2)cc1 1083986843 ZCBIYMYVTDMZMN-UHFFFAOYSA-N 446.323 4.900 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)cc1 1125467336 RCOMHIWEEUOHSO-STTRJGPESA-N 438.568 4.587 30 10 IJEE C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C 1126202182 FYDCEQQKWNULDB-ROUUACIJSA-N 435.524 4.820 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CCCc3ccccc3)cc2)c1 1143245843 BJZKYQRFUUDEIT-UHFFFAOYSA-N 434.561 4.579 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 1144136091 ZNXJFIREMWJJDP-UHFFFAOYSA-N 432.545 4.752 30 10 IJEE C#CCN(CC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)C(=O)OC(C)(C)C 1146589002 SVZXAFVGHIGSCJ-NRFANRHFSA-N 448.897 4.694 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)cc1C#N 1151776009 DLDGAIFVQAWNCX-UHFFFAOYSA-N 442.447 4.865 30 10 IJEE C=CCOc1ccc(CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)(C)C)cc1 1168017966 LOEUDTJKUDJUJG-UHFFFAOYSA-N 443.551 4.548 30 10 IJEE C=CCCC[C@H](NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)OC 1177958282 DQOLARMCQMXLIX-VQTJNVASSA-N 446.341 4.583 30 10 IJEE CC(C)(CC#N)CS(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 1185653951 HPAQDDIBTANNRC-SFHVURJKSA-N 439.350 4.537 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 1195297240 WCTLWDMTAKALCO-NRFANRHFSA-N 429.969 4.830 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1200402336 GGFWZXZXNXLHPX-VQTJNVASSA-N 441.572 4.590 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCOc3ccc(OC)cc32)cc1OC 1201910091 DASKSFWTEZLWFJ-GOSISDBHSA-N 434.330 4.645 30 10 IJEE C#CC1(NCc2ccc(OCCOc3cccc(Br)c3)c(OC)c2)CCCC1 1203471791 OVGWEDXMHPSWMU-UHFFFAOYSA-N 444.369 4.951 30 10 IJEE C#C[C@H](NS(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 1211946323 XDWFGCAXQFPVCJ-INIZCTEOSA-N 440.443 4.621 30 10 IJEE CC[C@@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)OCCc2ccccc21 1214623286 FPLNYBDMHMLPHE-VWLOTQADSA-N 428.492 4.745 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl 1214805413 LKSFCUVFZSBNEN-AWEZNQCLSA-N 443.396 4.781 30 10 IJEE C#C[C@H](NC(=O)Nc1c(OC)cccc1OC(F)(F)F)c1ccc(Br)cc1 1219832744 FPVCHWUXJCYLRP-ZDUSSCGKSA-N 443.219 4.852 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 1227996205 BXLABSJWSQPKEB-ICSRJNTNSA-N 436.339 4.597 30 10 IJEE C#CC[C@@H](NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)c1ccccc1 1230565163 FQKKJACPWROBDB-GFCCVEGCSA-N 429.211 4.569 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286415562 HEHJMFLPZCLDRU-PMACEKPBSA-N 444.501 4.840 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@H](O)C1 1286450588 DYVADBCEKMUUBX-ZJOUEHCJSA-N 445.007 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CC)CCOCC1 1286517133 QNTPBXXRLYGJHE-HSZRJFAPSA-N 442.991 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCNC(=O)C(C)C 1286565962 INGITJMYJYGHPU-GOSISDBHSA-N 443.661 4.696 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1286651692 IOBIMNPRZFMVAT-UYAOXDASSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1286661866 MIXKKYXJQHCOJU-GOSISDBHSA-N 435.572 4.572 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1286662487 MTTNICJXGRPGCP-UHFFFAOYSA-N 445.464 4.873 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1CC(C)(C)C(F)(F)F 1286740385 KXAIUZZPTONVRD-KRWDZBQOSA-N 438.494 4.572 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCCN1CCC 1286743525 JVSNIFANUPEBRH-HSZRJFAPSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCNC(=O)OC(C)(C)C 1286743815 UDJPGMGCKPSZKM-UHFFFAOYSA-N 437.544 4.564 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1cc(C)ccc1OC(F)F 1286754870 HYMZIAIAUBYCIV-UHFFFAOYSA-N 425.483 4.785 30 10 IJEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1 1300750764 BKPVYLYZIVFBEG-UHFFFAOYSA-N 443.532 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(C)C 1300869253 KVZNZIKQIUVBHB-HKUYNNGSSA-N 433.394 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1300896232 DBQFJKVHTNHCAG-LZJOCLMNSA-N 446.020 4.943 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C)[C@@H](OC)C1 1300936527 DFMPGNZIWCTORG-GUYCJALGSA-N 439.785 4.798 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@](C)(O)c2cccs2)CC1 1301091634 LVJPDJNXJITTFK-XMMPIXPASA-N 438.597 4.600 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1Cc2cccc(Br)c2C1 1301260105 WRTBUJBKBWECNM-UHFFFAOYSA-N 445.405 4.886 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1301444453 CBVNMHPQPUUGBO-UHFFFAOYSA-N 441.938 4.869 30 10 IJEE C#CC[C@@H](NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)OC)c1ccccc1 1310926783 DIQKNHTYOBTBKI-JOCHJYFZSA-N 428.488 4.938 30 10 IJEE C#Cc1ccc(NC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c(Cl)c1 1311263395 ZAQJPCJDPSIILY-GOSISDBHSA-N 428.920 4.927 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2nc3c(Br)cc(F)cc3s2)cc1 1311302069 XUSGKZDWMBRZFR-UHFFFAOYSA-N 434.290 4.532 30 10 IJEE C#CCN(C(=O)N[C@@H](CC1CCC1)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1312404939 OGYNKDCEGHNDRD-QHCPKHFHSA-N 439.600 4.962 30 10 IJEE C=CCN(C(=O)[C@H]1CCC[C@@H]1CCC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352004947 VVGWIJHSYGSTLK-LPHOPBHVSA-N 432.611 4.949 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)c1 1352428837 DHTCMUJJHVYNPC-LJQANCHMSA-N 449.304 4.683 30 10 IJEE C=CCN(C(=O)[C@@H]1CCc2cc(C)ccc2O1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352765071 VZDYCYIUDFXGME-NRFANRHFSA-N 435.505 4.940 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 1353610782 WWOMBCXXCZXLPY-GIVPXCGWSA-N 437.521 4.799 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(-c2csc(C)n2)s1 1356183224 XABRQLNWQMFXJX-UHFFFAOYSA-N 429.519 4.923 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc3cc(C)ccc3o2)c(C(=O)OCC)c1C 1357805529 CDXDMXABZLAQOL-UHFFFAOYSA-N 427.478 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCCN1CCCC 1358873361 ICTWLOXKLUUVGE-LADGPHEKSA-N 433.644 4.861 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCSC1 1358907244 IUECBTAWQKJXQS-ZDUSSCGKSA-N 425.421 4.514 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1358907705 YCSAXRDLMJTRSW-OAQYLSRUSA-N 426.467 4.506 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1358911406 SYFHGIJZLTXVHJ-HXUWFJFHSA-N 430.499 4.528 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N1CCC[C@H](C)C1 1359003201 BQXWYRKXSXZDNL-SLFFLAALSA-N 439.673 4.711 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1 1359057648 FGSMEFWEBMYCRS-UHFFFAOYSA-N 440.657 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccccc1F 1359097829 UORKXUROAIOQMR-MSYCTHLASA-N 435.547 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(N2CCCCC2)c1 1359109096 PFJBFGGVEJZZIK-UHFFFAOYSA-N 441.583 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2cncn2)CC1 1359186121 VMIMPDGVJZIMTM-UHFFFAOYSA-N 439.995 4.709 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1359193504 FKGFYYYHYBOUEM-KOVSNXQUSA-N 437.632 4.799 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1359220044 MJXULTRJETYZMW-FQEVSTJZSA-N 429.996 4.541 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1nccs1 1359466521 CNSBONIRJPOAMV-KGLIPLIRSA-N 445.390 4.564 30 10 IJEE C=CCCCCCN(C)C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1360894880 KOPBDRDLKQEQOH-UHFFFAOYSA-N 437.462 4.886 30 10 IJEE C=CCCOCCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1435793624 IQVBPJNPLHOKHP-UHFFFAOYSA-N 425.326 4.987 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 1441251678 PYXOJYJOOHLBBR-HXUWFJFHSA-N 448.991 4.761 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 1442754417 LWTSNIGDJMZJFU-UHFFFAOYSA-N 448.588 4.975 30 10 IJEE C=CCC[C@H](NC(=O)c1ccccc1OCc1cccc(Br)c1)C(=O)OCC 1449695904 NWUDRAHFRUBXFS-IBGZPJMESA-N 446.341 4.656 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)C1 1454048825 JPIKSXNGIFQXNQ-IBGZPJMESA-N 438.593 4.579 30 10 IJEE C=CCn1c(SCC[C@@](C#N)(C(C)=O)c2ccccc2)nnc1-c1ccccc1OC 1458778412 UKRLEZYPHUHCNU-XMMPIXPASA-N 432.549 4.672 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1C#N 1458801048 NEYSIKCIOKKJBD-UHFFFAOYSA-N 433.114 4.702 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Br)c(F)cc2C)CCCN1C(=O)OC(C)(C)C 1459774347 GHTPUJANSWJRQH-FQEVSTJZSA-N 439.325 4.628 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC 1461957267 SMJXLUIMHGGHHI-UHFFFAOYSA-N 435.351 4.525 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2c1=O 1463967203 DUFYZKIRQXLFMR-UHFFFAOYSA-N 441.556 4.714 30 10 IJEE C=C(C)c1cccc(NC(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1 1467476330 YFEHKSKZFCAXFB-UHFFFAOYSA-N 437.521 4.632 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(Br)cc1 1468450286 DPTZNEMWFZUXDR-YADHBBJMSA-N 437.381 4.542 30 10 IJEE C=CCn1c(SCc2c(Cl)cncc2Cl)nnc1[C@H]1COc2ccccc2O1 1472934515 FAMMIUGJUGLUCC-QGZVFWFLSA-N 435.336 4.971 30 10 IJEE CC(C)[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccc1Cl 1474966931 CRDCOURSNWPQHB-KRWDZBQOSA-N 445.741 4.789 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCN(C)C)Cc1cccs1 1476729455 VIGWXZOAYLIWOZ-UHFFFAOYSA-N 438.391 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCC1CCC(OC)CC1 1507672880 KUZUXRLAHUUDIK-UHFFFAOYSA-N 448.611 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(CNC(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1507919590 QBHRZIIGPOQLQP-UHFFFAOYSA-N 449.643 4.703 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1nc(C)c(C)s1 1508009257 YTGKZZFZKZRXGK-GOSISDBHSA-N 443.642 4.742 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1515509652 HOZGZCQHYHDWHK-INIZCTEOSA-N 443.020 4.898 30 10 IJEE C#C[C@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(Cl)cc1 1528475359 UNWDZFVOZRHXKR-HNNXBMFYSA-N 430.072 4.702 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CCC(=O)OC)c2ccccc2)s1 1530074369 CCSQTGBYQQLANE-INIZCTEOSA-N 439.002 4.649 30 10 IJEE Cc1ccc(C(=O)c2c(NC(=O)c3cc(C#N)cc(N(C)C)c3)sc3c2CCC3)cc1 1532844183 HBUDATGVJIOCCI-UHFFFAOYSA-N 429.545 4.966 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H](F)c1ccc(Br)cc1 1538984245 DURDSVKYTOZPPV-SUMWQHHRSA-N 431.309 4.778 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C2CCOCC2)C1 1539094498 QNMSUTWQRUJUBC-GMAHTHKFSA-N 436.600 4.701 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](Cc1ccccc1)OC 1539153900 CHWGDPAYQYNNJA-NRFANRHFSA-N 434.609 4.603 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1539171152 HDIVLNALKRWJQN-SIKLNZKXSA-N 433.556 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(OC)CCCC1 1539306427 XSFLSBGQVSTXKT-UHFFFAOYSA-N 431.367 4.674 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCSC(F)(F)F 1539540134 HZCSQHNVHUXONI-GOSISDBHSA-N 446.445 4.792 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539892199 UWYKQQQVFDVZFA-SZPZYZBQSA-N 435.660 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1539912549 MMHXZECOHFHWTF-UHFFFAOYSA-N 437.563 4.589 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 1539947505 KJQFISLPLJIGKJ-JXALWOEJSA-N 432.616 4.982 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCC(C)=C(Br)C1)C(C)C 1540151165 DXAYFRCWBPAXAP-HXUWFJFHSA-N 448.453 4.733 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1540911602 WROHUEQETRFFOO-IBGZPJMESA-N 430.961 4.689 30 10 IJEE Cc1csc([C@@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@@H](C)C#N)n1 1542849130 ACBAAVNXLWULCG-HOTGVXAUSA-N 433.585 4.515 30 10 IJEE CCN1CCC[C@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H](C)CC#N 1547678651 HRFCIHZCJIXTQK-SFTDATJTSA-N 438.620 4.512 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(C)o1 1558189127 BZRIBIYXYDDOFI-JOCHJYFZSA-N 431.492 4.795 30 10 IJEE C=CCN(CCC(=O)NCc1ccccc1Cl)Cc1cc(Br)ccc1F 1559518008 HXJQOFOSWWSIFQ-UHFFFAOYSA-N 439.756 4.936 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCC[C@H]2c2cc(F)cc(Br)c2)cc1Cl 1559731951 CNXMWCNCINSDAU-SFHVURJKSA-N 436.712 4.889 30 10 IJEE C#Cc1ccc(CN2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cc1 1560685317 POMGPKOQAHGFOH-QGZVFWFLSA-N 440.469 4.616 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)NCCSCCOc1cccc(Br)c1 1564068431 MACQPKBMZKELDS-KRWDZBQOSA-N 427.408 4.701 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(F)cc1 1564858972 YEZAEMFDQPOOPN-FGZHOGPDSA-N 439.531 4.845 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C 1570575645 HNFWBTSONUPCRC-SJORKVTESA-N 445.000 4.525 30 10 IJEE C#Cc1cncc(C(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)c1 1583565795 QHFGORVINIAYQZ-NRFANRHFSA-N 428.385 4.771 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)cc1OC 1584890597 LYHAZTFDNJKHGG-VZUCSPMQSA-N 426.900 4.914 30 10 IJEE CCC(CC)Oc1ccc([C@H](C)OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 1587382247 FXDBEDQYAMGJNN-INIZCTEOSA-N 425.529 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOCC(F)F 1587575362 UGZBFAIDQJKGPF-ZDUSSCGKSA-N 438.931 4.943 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C1CC1)N(C)C 1587575426 VIWSJDTTXYJYOK-RHSMWYFYSA-N 428.005 4.611 30 10 IJEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCC(C)(C)C)CC1 1587754432 DMUQMYGFHCZYKB-UHFFFAOYSA-N 432.616 4.788 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(F)(F)F)cc1 1588459300 RPXFGTSKBPNFME-RTBURBONSA-N 434.506 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@H](C)[C@@H]1C 1589514864 IYVKRSXGOVCMLA-XLSPSMHOSA-N 433.021 4.910 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1589547337 UGAAYAZKDVTBIW-RXYWUWFVSA-N 432.971 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1589559250 OZHMVWUIZAVUDV-NYDSKATKSA-N 438.597 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(F)(F)Br 1589615316 PCKZNUWUCNTKHC-UHFFFAOYSA-N 449.727 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)c1ccc(F)cc1 1589687767 NUVDWQCYGQGSML-QGZVFWFLSA-N 441.576 4.615 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1593899746 BTQRSSCQCIIHMH-SFHVURJKSA-N 436.915 4.539 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1594077013 GFGTVEMSSFIYHT-IBGZPJMESA-N 425.577 4.713 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1594484893 XETIGCAXLUMXIA-UHFFFAOYSA-N 425.533 4.669 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1594582431 QOOCTYRWRCMKPV-HSZRJFAPSA-N 433.604 4.914 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccccc1Cn1cccn1 1595141774 KTKDDLJOFCBSPO-UHFFFAOYSA-N 432.597 4.949 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC=CO1 1595185123 OIRIQBAFWLSWAR-MRXNPFEDSA-N 433.325 4.718 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1595650253 ZLIHFZOXCABAJZ-HXUWFJFHSA-N 435.572 4.670 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)Cc1cc(Cl)ccc1OC 1595866587 PZNSLXJOBOWBII-UHFFFAOYSA-N 431.993 4.501 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(OC)C2CCCC2)ccc1Cl 1611408086 GJUWGUMPOIZSCZ-UHFFFAOYSA-N 448.972 4.668 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1c[nH]c2ccc(F)cc12 1613299671 ZLTXOMSPAZEATC-UHFFFAOYSA-N 440.475 4.778 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCCCCC3)n2Cc2ccnc(C(F)(F)F)c2)cc1 1620350048 ACRSUXLDNUWFDZ-UHFFFAOYSA-N 426.446 4.659 30 10 IJEE C=CCOCCCNC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 1622701157 HRBPOCPNZQHONF-UHFFFAOYSA-N 439.409 4.811 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1Br 1623874401 CYSXMZUEHQZUNC-KRWDZBQOSA-N 425.367 4.657 30 10 IJEE C[C@@H](CN(C)C(=O)CCCC(=O)Nc1ccccc1C#N)Oc1ccc(Cl)c(Cl)c1 1625184092 BDSBCJKFSCLQSW-HNNXBMFYSA-N 448.350 4.900 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4cccnc4)c(C)c3)n[nH]2)c1C 1626555068 GPZVENHYCAPDDK-UHFFFAOYSA-N 428.496 4.824 30 10 IJEE C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 1631874292 SCODASDCCYXKJD-JTQLQIEISA-N 449.743 4.684 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1636098377 HATRFGGSUILPLK-PXDATVDWSA-N 427.589 4.606 30 10 IJEE C#C[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1F 1636311521 BKXFJKZUXROTQS-HNNXBMFYSA-N 434.220 4.839 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(Br)cc1 1636562024 HRMLGMGKXSOIBA-ZLNRFVROSA-N 449.348 4.898 30 10 IJEE C#C[C@H](NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1)c1ccc(Br)cc1 1636562192 INPNXVRQPOHVIC-UDJZJCJKSA-N 446.433 4.665 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CCCN1C(=O)OC(C)(C)C 1637383278 AOFVLFMBWPJRQG-DWXRJYCRSA-N 437.584 4.796 30 10 IJEE CC(C)Cc1ccc([C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)N(C)C)cc1 1642069102 DGQORLLMXMOFEZ-RUZDIDTESA-N 445.563 4.961 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)CCSc2ccnc3cc(Cl)ccc23)CC1 1645391083 IDLCQLIFOJJODM-UHFFFAOYSA-N 442.997 4.652 30 10 IJEE C=CC[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)C1 1647863645 LORDBPGHRJAMQI-OPAMFIHVSA-N 442.485 4.685 30 10 IJEE C#CCN(CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCOc2ccc(Br)cc21 1652516604 YCXSZDUAAHWKCY-IBGZPJMESA-N 447.760 4.890 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)CCC)nc2sc3c(c2c1=O)CCCCC3 1655979879 ZIFZBDHECCRXOA-CABCVRRESA-N 433.643 4.698 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3cccc(Br)c3)C2=O)nc2ccccc21 1656005240 WDRGLUPHCROYLD-SFHVURJKSA-N 428.355 4.882 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1661044792 SVXKJZPMFDWPCL-HOTGVXAUSA-N 447.348 4.826 30 10 IJEE COc1cc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)c(F)cc1C#N 1673761848 DRANRRAPSRDLSG-HSZRJFAPSA-N 433.483 4.782 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)C(C)C 1673988163 FXPZHAGHDLDFJB-RUZDIDTESA-N 446.595 4.710 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H]1C[C@H](OCC)C12CCCCC2)c1ccc(Br)cc1 1674025274 BRPRUULRZFFXSC-UFYCRDLUSA-N 433.390 4.893 30 10 IJEE C#CCN(C(=O)NCCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCOc2ccc(Br)cc21 1674376016 HGJICDPKEVZFED-FFZOFVMBSA-N 449.389 4.513 30 10 IJEE CCN(c1ccccc1)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1677723204 CJTGQAVQHNKJGI-UHFFFAOYSA-N 439.563 4.748 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1683050811 CGCQIARZDKJGSY-BHIFYINESA-N 443.588 4.742 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 1683377407 DTDDVKJYMXALFP-XMMPIXPASA-N 446.501 4.652 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCCC[C@H]1C 1689948484 XHDNDBYCGLVEBV-WOJBJXKFSA-N 444.023 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCn1ccnc1C 1690038412 ORWMWKQDLQYTOQ-UHFFFAOYSA-N 442.611 4.691 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCC1(F)F 1690089806 NCWABYJIAWQODJ-UXHICEINSA-N 446.517 4.777 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCCN1CCC[C@@H](C)C1 1690207545 CGAGPQOPFWANJT-QFQXNSOFSA-N 437.607 4.512 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1690295893 WOWKDCYERUTAGE-OAQYLSRUSA-N 441.595 4.665 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](CCOC)C1 1690304606 IHPONQOMNCNOMI-IBGZPJMESA-N 444.645 4.731 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCC(C)C)CC1 1690402935 VURGUQLTWULZGO-UHFFFAOYSA-N 428.577 4.810 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C)CCOCC2)CC1 1690404661 MOHLVGZWSUKALP-UHFFFAOYSA-N 430.980 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](COC)C1 1690420219 KQNBXNOEKYUJIR-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1690480381 GOGPXHMEETVASU-IBGZPJMESA-N 446.555 4.769 30 10 IJEE C=CCCCn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1690493782 SGHMUWGIKXRXHI-HXOBKFHXSA-N 434.531 4.761 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1690595501 YCYDTYQCMZIOKM-RTWAWAEBSA-N 429.996 4.654 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 1695622563 DINBTKHARKTVDP-PGRDOPGGSA-N 447.612 4.557 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1705515454 DUODAXYPBIOHQF-UYAOXDASSA-N 427.618 4.726 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1705518835 WKHUIQMBJFIPGT-NRFANRHFSA-N 426.992 4.579 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@@H](C)C#N 1705653716 OCIWLOYWFMOAAM-AWEZNQCLSA-N 430.002 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)c1nccs1 1705668507 NSQRBSJAELYVII-HKARXFIJSA-N 439.560 4.810 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N[C@H](C)CC 1705670664 DZFKKLKEQXSTHM-IVZQSRNASA-N 448.398 4.549 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1705793530 AWKODGHEZKCTNB-OAQYLSRUSA-N 431.584 4.869 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)C[C@H](C)C1)C(C)C 1705867317 LOHAKDJXRRGSNV-AWRGLXIESA-N 436.648 4.829 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOC(C)C)c1C 1706978533 GOICAXFXFUAPPA-GBXCKJPGSA-N 425.577 4.590 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCC1(F)F 1708133862 HYCJIKFDGDWXFC-ZIFCJYIRSA-N 429.515 4.789 30 10 IJEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1722334058 AFYPTXUBSUQJDE-UHFFFAOYSA-N 443.595 4.665 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1722337483 BKHXKPVMTJEXHO-DLBZAZTESA-N 431.378 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)c1nccs1 1722343491 HENOSKQGRZFGJN-QGZVFWFLSA-N 430.581 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722398598 DNZSMWMOFAWPJS-RTWAWAEBSA-N 428.502 4.820 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1COC 1722405600 OYVKLEKABMBGNB-UHFFFAOYSA-N 434.609 4.930 30 10 IJEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCc1nc(C(C)(C)C)cs1 1722413393 ABOBHNLWPWFPPO-UHFFFAOYSA-N 443.567 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC(C)(C)C1CC1 1722468431 OIRXECCELLHHES-OAQYLSRUSA-N 430.394 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CCCNC(=O)OC(C)(C)C 1722470597 VXTKLQGAXADYEJ-HSZRJFAPSA-N 443.979 4.505 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722530018 KNOSENAMMZFAFI-PKTZIBPZSA-N 449.599 4.726 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@H](C)C1 1722624137 UODINQATQFVRDK-QGZVFWFLSA-N 432.659 4.810 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCC1(F)F)C1CC1 1722646935 ZIFWNLMJHUTUGS-QGZVFWFLSA-N 432.515 4.943 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CC)CC1CCC1 1722689004 PBMBBTYUURFRFZ-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE CS[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)(C)C 1731050021 BLUNJRFKCZACGI-IBGZPJMESA-N 441.645 4.988 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1740592706 FKIJBQYEOUOYSH-FYYLOGMGSA-N 437.607 4.512 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1nccs1 1740601939 NNPIAXFBXHCAFG-UHFFFAOYSA-N 427.986 4.972 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C1CC(C(C)(C)C)C1 1740683670 CJEKFAQGYXRPDW-UHFFFAOYSA-N 433.556 4.683 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1740761436 NVWDXUNUHYVCDI-YVCBRDFCSA-N 446.542 4.977 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740761864 PNEIGKLQZLBHLB-GHTZIAJQSA-N 434.531 4.696 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1740786226 VMZRRKIWETUGCY-NHCUHLMSSA-N 439.560 4.850 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1740842598 FVLALZPILKSQFK-RDGPPVDQSA-N 442.526 4.698 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740868586 NVCBDIOLOBCEJA-FUHWJXTLSA-N 440.523 4.599 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCc1csc(C)n1 1740916479 OIGFACWXKHXMFM-QFIPXVFZSA-N 448.596 4.592 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCOC2(CCCCC2)C1)C(C)C 1740924034 CTACLYHMCUQZIR-JOCHJYFZSA-N 429.653 4.640 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)C1 1740973602 AEOFVKJIRHMZHN-KSEOMHKRSA-N 445.007 4.831 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCCSc1nccs1 1748641361 FWPNHXCUCORNFI-PKOBYXMFSA-N 425.627 4.917 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc(C(F)(F)F)cs1 1748673745 KRSOEWDWMUNZNB-GFCCVEGCSA-N 439.894 4.504 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1ccc2ccccc21 1748689912 JYMJNSNVDGZYFS-KJXAQDMKSA-N 433.600 4.700 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)(C#N)CC1 1748702347 CYDJIUHJWUYXTD-UHFFFAOYSA-N 432.391 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CC[C@H](F)C1 1748889481 LNDCPVSWZRFSPQ-GMAHTHKFSA-N 436.575 4.971 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCO[C@H]1C(C)C 1749149169 UPOCHRCYBCVZOH-XXBNENTESA-N 442.604 4.816 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)OC(C)(C)C)CC1 1749335806 UTWWXWWBWPOEPI-UHFFFAOYSA-N 431.968 4.526 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1749336463 LEAKGNVZQIMCMS-UHFFFAOYSA-N 445.615 4.771 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 1749343978 WZTPBNCARSHRRJ-VWLOTQADSA-N 426.580 4.742 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H]21 1749376890 IMYYQVJNUZUMLC-OTWHNJEPSA-N 429.609 4.941 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)CC[C@H]2C)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1749384545 CVVLSOQVWGMKAS-YNMPZUNCSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749393255 PQZQYWFVONTHJD-IBGZPJMESA-N 431.968 4.670 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1749473836 FXKRFPMGAYRHDO-UHFFFAOYSA-N 427.593 4.777 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1749606194 ORUUERYAPXYGAP-SFTDATJTSA-N 441.595 4.836 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(OC)CC2)cc1 1749683769 FYIGWVBYTXNYFK-RCZVLFRGSA-N 440.588 4.528 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2CCC[C@H]21 1749749974 USUOECSAILWJIR-CXAGYDPISA-N 437.382 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCN(C)C1CCCCC1 1760097849 KZZZZBYREUMSEM-VQTJNVASSA-N 441.595 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCC1(F)F 1760111699 RMPCHVAZQHYLKZ-SJLPKXTDSA-N 425.483 4.884 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C#N)CC1 1760133005 WHMVIGIEIXOFHC-UHFFFAOYSA-N 429.524 4.661 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCCc2cccnc21 1760239854 YCYAXCIYMODZFE-OAQYLSRUSA-N 431.609 4.853 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1760348846 OCVCRFWWUBROER-MOMZZODESA-N 444.645 4.708 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC(F)(F)Br 1760477858 NBASDOMKUMKVTH-UHFFFAOYSA-N 443.336 4.765 30 10 IJEE CC(C)(C)c1csc(Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)n1 1761544561 GYYRDMDNHAQMHR-HSZRJFAPSA-N 426.634 4.943 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)/C=C/c3ccco3)c2)sc2c1CCCC2 1860125648 HMJHJHQNYYHNPX-ZHACJKMWSA-N 447.516 4.761 30 10 IJEE CC[C@H](C)NC(=S)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1860498614 ICFHEOPAWVTNCY-GCMSVZMUSA-N 428.989 4.970 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2F)cc1C 1862402910 KJOQASJHEVRFTD-NRFANRHFSA-N 427.447 4.803 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 1862446098 LDBHNTVINQYQGY-JOCHJYFZSA-N 443.890 4.995 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482954 WSRNVKYFGNBSSA-FQEVSTJZSA-N 446.469 4.544 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(Cl)c2)cc1 1862535518 DVKDAUFPLRTCHY-PZJWPPBQSA-N 425.912 4.660 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cc(Br)ccc2F)cc1 1862541287 IHYRFTATQQHJCY-SFHVURJKSA-N 432.289 4.749 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc2cc[nH]c2c1 1862572628 JYZURRVRTFGQES-HSZRJFAPSA-N 448.519 4.954 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 1862750813 FJYFENZEHAPWDI-LJQANCHMSA-N 438.823 4.620 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2Cl)C(=O)N(CCN(CC)CC)C1=O 1863778142 ANWFTSVZGDIDIH-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE CCC[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867757067 VNQVSMJKMDEJAH-QZTJIDSGSA-N 448.350 4.590 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(N3CCCCCC3)CC2)nc(-c2cccnc2)n1 1869370609 SUSHJRDLELJLBM-UHFFFAOYSA-N 432.616 4.562 30 10 IJEE CCCCCCCOc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870411143 VSGWNCCPDPLAFG-UHFFFAOYSA-N 441.616 4.548 30 10 IJEE CCCCCCCCn1cc(OCCOC(C)C)c(=O)cc1CN(CCO)CCCC 1870540999 YJQCRJGXPHSLPB-UHFFFAOYSA-N 438.653 4.607 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CN(CCC)CCCC 1870721444 LVPPMAPCURKERR-UHFFFAOYSA-N 439.600 4.681 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc2cc[nH]c2c1 1870872471 HRGPZJBUAGIQFK-UHFFFAOYSA-N 439.556 4.854 30 10 IJEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1cccc(F)c1 1871118479 RTFORTUPNYNCPC-UHFFFAOYSA-N 431.552 4.604 30 10 IJEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)C1 1871355736 IUSWDVLXIOKSLN-UCQKPKSFSA-N 437.536 4.979 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c(OC)c1 1871386555 BIVPVBPNFJWFHR-UUYOSTAYSA-N 434.419 4.987 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(CC)cc1)C2=O 1871392633 JCIHHOMQSYZOSC-KQWNVCNZSA-N 437.536 4.736 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871454890 YTNJCNKHZIRZFY-MTJSOVHGSA-N 434.879 4.986 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871456963 HCIBEANXIJJOIH-UCQKPKSFSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(F)cc1 1872409297 WRJRWABJJSSSTF-QFIPXVFZSA-N 432.561 4.754 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1C 1872605464 VZRVBEWHAGUSJE-HSZRJFAPSA-N 444.641 4.670 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(Br)c(OC)c1OC 1872774678 YVYUYPDSKQXSOT-NSHDSACASA-N 439.331 4.545 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@H](C)CC)c2)=C(c2ccccc2Cl)C1=O 1873194886 ICZLUKKIBUOJGW-OAHLLOKOSA-N 438.911 4.673 30 10 IJEE COc1cc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SC)ccc1OC(C)C 1874259659 MKDVEYBHUMLRMT-BHGWPJFGSA-N 448.495 4.535 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc2ccccc12 1874425366 FFNXRWGKOJQFGR-YZSQISJMSA-N 443.576 4.941 30 10 IJEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874439498 FBXNIMLZGCYKFV-HZHRSRAPSA-N 439.541 4.698 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1sccc1C 1874477616 DZRBIYGICNFREM-CIAFOILYSA-N 432.571 4.935 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cccs2)c1C 1874495151 XOHBDFZBQZWNAO-WSDLNYQXSA-N 425.583 4.837 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1OCC(=O)NCc1ccco1 1874574823 HVRLZORCSKDMQI-VAWYXSNFSA-N 425.868 4.533 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)COCCOC 1875125689 VQWBGSPRWLSKAS-IZZDOVSWSA-N 444.911 4.542 30 10 IJEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(NCc3ccc(F)cc3)ncnc21 1875227874 PCYRMEMIHDQAKL-UHFFFAOYSA-N 441.510 4.567 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(Cc2ncc(Br)cc2Cl)C3)OC1(C)C 1879793838 MRGLPZSMQXFPKS-KZULUSFZSA-N 427.579 4.556 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(Nc4ccc(C)nn4)cc3)n[nH]2)c1C 1891211720 IXUAGPCFTFDZIC-UHFFFAOYSA-N 442.527 4.560 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1892137141 VIKXQGHHDXJACU-LEWJYISDSA-N 427.957 4.552 30 10 IJEE CC1(C)C[C@@H]([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1912178544 NKYBLFGCTNAWNP-JKSUJKDBSA-N 436.557 4.852 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CN(CC(F)(F)F)C(=O)OC(C)(C)C)NCCC 1922076572 GKNZXYDYOOCVGY-LJQANCHMSA-N 430.511 4.927 30 10 IJEE C=CCC1(Oc2ncc(Br)cc2Br)CN(C(=O)OC(C)(C)C)C1 1992458391 RCKCPSUOIWEBEW-UHFFFAOYSA-N 448.155 4.551 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCC(C)(C)C[C@@H]1CNC(=O)OC(C)(C)C 2020337545 XZNBTRONGHAUKX-RTBURBONSA-N 439.641 4.767 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2038636545 FFTFYNOSBSLWSP-FGZHOGPDSA-N 448.568 4.997 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](N)Cc2cc(Cl)c(C)c(Br)c2)C1 2077088077 PHVZRLZLOBQXHP-INIZCTEOSA-N 429.786 4.894 30 10 IJEE CN(C)Cc1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079180702 YRXALLXWTKYAEF-UHFFFAOYSA-N 434.153 4.873 30 10 IJEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CSc2ccc(C)cc2)nc1C(F)(F)F 2084270804 JSXPALMBMBQJQQ-LBPRGKRZSA-N 428.457 4.616 30 10 IJEE Cc1sc(Br)cc1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2107459381 UEHWZYWFNDKERC-UHFFFAOYSA-N 426.185 4.613 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1cc(Br)c(C#N)cc1F 2118156346 JTLBLBSGIHCVMB-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1Br 2180952588 LQJPNJORIQHXKT-CQSZACIVSA-N 449.267 4.713 30 10 IJEE CCC(N)(C#Cc1sc(Br)c(Br)c1Br)CC 2212188777 DXJFAKZOKNJNGJ-UHFFFAOYSA-N 430.003 4.905 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235721467 IVUZMUYONOIDKY-MOPGFXCFSA-N 437.422 4.964 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2235725226 ISUDWOYEOJFFKO-OXJNMPFZSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CCN(CC1CC1)C(=O)OC(C)(C)C 2235726586 PCTDYPYIKQOUSV-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Nc1ccc(C#N)c(Br)c1F)C2 2241103346 CBBMCXFIVLCBNJ-YUDUHTQSSA-N 438.341 4.954 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C=O 2243899724 KZSUIEVVOIDJDB-DFBJGRDBSA-N 448.563 4.520 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 2262207846 VGFNNSKTMSBRBI-RCZVLFRGSA-N 447.572 4.655 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296228670 BEXNOFCNIXCPCQ-GCJKJVERSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C(F)(F)CCNC(=O)OC(C)(C)C 2296274376 UBSUDXBEHCIYDX-QGZVFWFLSA-N 445.348 4.719 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@H](O)C#Cc1ccc(Br)cc1)C2 2296281471 LMXBOUBRTMESRN-SLFFLAALSA-N 434.374 4.730 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)C12CCCC2 2296288112 CGNMRKDLQCEDPH-MOPGFXCFSA-N 433.390 4.698 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2307506707 WBRJMFLIOLNVSE-YDLHNXBPSA-N 437.625 4.519 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)OCc2ccc(CN(CC)CC)cc2)cc1OCC 2318789624 WWKUDJPLSSHXMI-UHFFFAOYSA-N 439.552 4.652 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2-c2cccs2)c1OCc1ccc(F)cc1 2321946979 IRLMVSHBPVQSJO-UHFFFAOYSA-N 440.525 4.904 30 10 IJEE COc1cc(C(=O)C=Cc2cc(Cl)cc(OC)c2OCCCO)c(OC)cc1Cl 2322872572 HBTOSIIDKGMBSL-UHFFFAOYSA-N 441.307 4.677 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 2323858307 FORHBLTXHXHSSU-UHFFFAOYSA-N 444.487 4.803 30 10 IJEE Cc1ccc(C=C2Oc3c(CN4CCN(c5ccc(F)cc5)CC4)c(O)cc(C)c3C2=O)o1 2324041595 LHFABGBEIUZXFM-UHFFFAOYSA-N 448.494 4.680 30 10 IJEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2324451575 ZXCASEHBPQDVBX-QGZVFWFLSA-N 435.461 4.625 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2325384749 BZSSGQYZCBAGJG-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE O=C(N[C@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2)C1)c1cc(Cl)cc(Cl)c1 2328343763 RWTQPWAAFQKLCL-OALUTQOASA-N 437.754 4.780 30 10 IJEE CCOc1ccc(C=Nn2c(COc3c(C)cccc3C)nnc2SC)cc1OCC 2328545433 HEZASESJOOSDAX-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE CCOc1cc(C=Nn2c(COc3c(C)cccc3C)nnc2SCC)ccc1O 2328554350 IDEHBOJVWZKWDC-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328636561 WFVXXMUESDUZNO-UHFFFAOYSA-N 437.525 4.531 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1cccc(F)c1)Nc1ccccc1F 2330627950 SJDFAMZLIZBKGK-UHFFFAOYSA-N 449.486 4.836 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccco2)c1C 2330632671 BETSYVMUHJZVIN-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)OCCC)cc1 2330881153 HDLKXKUJUBTHMY-UHFFFAOYSA-N 446.617 4.973 30 10 IJEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])c1 2331440952 FORFZYYVXMDFMN-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1cccc2ccccc12)Nc1ccccc1 2331721755 KSRYMHQOFRKWDD-UHFFFAOYSA-N 427.533 4.922 30 10 IJEE CN(C[C@@H]1CCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339579495 XICKNYYCUNJVCD-IBGZPJMESA-N 443.397 4.562 30 10 IJEE N#Cc1cccc(F)c1OCc1cc(I)ccc1Br 2341769730 QZJCDTRCYLETNG-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE Cc1cc(CN(Cc2ccccc2)[C@@H]2COC(C)(C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2343695596 YDXZVBRKERJLAY-QHCPKHFHSA-N 435.417 4.864 30 10 IJEE N#Cc1ccc(Nc2cc(F)c(F)cc2I)cc1Br 2351708300 LPBUOWKGJZBQDG-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC1(C)C[C@](Nc2cc(Br)ccc2C#N)(C(=O)O)[C@H]1OCc1ccccc1 2374929315 DMGXSTMGZBLNLX-GHTZIAJQSA-N 429.314 4.571 30 10 IJEE COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC 1984297 LGNCTQDXLWEOFE-BQYQJAHWSA-N 447.354 4.930 30 10 IJEE COc1cc(/C=N/c2ccc(Br)cc2)cc(I)c1O 3106534 CHCXDULQNKDNOS-CAOOACKPSA-N 432.055 4.519 30 10 IJEE COc1ccccc1CN/C(=N/C(=S)Nc1cccc(C)c1C)Nc1nc(C)cc(C)n1 14156182 SHQCTOXMJXZEMA-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccccc2Cl)Nc2ccccc2OC)c(C)n1 32972966 MPLVOQNAIFWUCT-UHFFFAOYSA-N 439.947 4.662 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 34943851 HOGUQANDERIGOD-QHCPKHFHSA-N 434.580 4.741 30 10 IJEE C=CCn1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc2c(OCC)cccc21 35910793 ANQYWFVIPKDAPA-FMIVXFBMSA-N 429.564 4.697 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(OCc2ccccc2C#N)c1 62897084 QQFHJBFWXIMDLK-UHFFFAOYSA-N 427.460 4.874 30 10 IJEE C=CCOc1ccccc1NC(=O)CNc1ccc(NC(=O)CCc2ccccc2)cc1 66093675 BEZFFSKQGOUMOV-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE O=C1Nc2ccccc2/C1=C1/S/C(=N/c2cccc(C(=O)O)c2)N(c2ccccc2)C1=O 101133202 XDXCLDRKLUAOPQ-AEUWTHGRSA-N 441.468 4.516 30 10 IJEE O=C1/C(=C\c2cccc(F)c2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 102738129 OOJPQTLQGWMMDN-RGVLZGJSSA-N 430.840 4.863 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 169944459 BHGRHVLYFNCWFR-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(O)cc2)c1 169958923 RNNITXLMAUWDEN-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)s1 169982383 QDQVVULZDBHFHS-SFHVURJKSA-N 439.562 4.670 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1)c1ccc2c(c1)CCO2 170098281 PNMCGIWTCSTYDT-FQEVSTJZSA-N 444.468 4.607 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(N(C)C)cc2)cc1C 170129341 NTAWLTNIXIZUKJ-QHCPKHFHSA-N 436.552 4.838 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170129788 TUONFXSTTJGJSW-QHCPKHFHSA-N 429.520 4.755 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccs1 170156678 WTNXMTKQTJZDSH-NRFANRHFSA-N 435.501 4.857 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)c1 170209420 SLRDXYRUNDIPKF-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 170246875 PQDMZHNUTRMSRP-LJQANCHMSA-N 438.436 4.574 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170266155 FFRVLMJEFZBSCD-RDPSFJRHSA-N 449.547 4.632 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(C)o2)cc1C 170304249 NKYAGGFODKQNMG-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CC(C)COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 170420023 SKGJRHMQSFIZNS-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OC)N2 226861158 SSHBKEXWFGRVLJ-RNHFSVANSA-N 436.577 4.884 30 10 IJEE C=CCn1c(Sc2ncnc3ccc(Br)cc23)nc2sccc2c1=O 261421887 OVVCSIPRYPYCJE-UHFFFAOYSA-N 431.340 4.501 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(OC)c(Br)c1OC 407441747 VMXYTERQMFDAAE-YOEHRIQHSA-N 443.382 4.586 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 508921866 NQDAUWLNZFCNGJ-SGNDLWITSA-N 429.568 4.790 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)CC2)c1 525458028 NREXFFCPTDGYPA-WOJBJXKFSA-N 430.426 4.630 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(C)cc2)c(OC)c1 526522196 QGOOKDBIXOPSDV-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526809177 XASNMBCECPRBDT-OYKKKHCWSA-N 440.569 4.739 30 10 IJEE CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OCC 539265314 HOOCAFCLDRKZKW-HUUCEWRRSA-N 427.570 4.584 30 10 IJEE Cc1cnc(O)n1-c1cccc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)c1 546361778 YCSKFLGVJQWXJO-UHFFFAOYSA-N 436.431 4.662 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 586261249 ONNFFAWOCKPWKP-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CCOc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 586311627 FLMFRKGFCNLAHU-UHFFFAOYSA-N 440.908 4.646 30 10 IJEE CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)cc1 586722521 SAVCLZBGBAVVSL-UHFFFAOYSA-N 428.448 4.631 30 10 IJEE CCCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 603689293 GUNYAQHMDKSKNX-UHFFFAOYSA-N 432.480 4.865 30 10 IJEE C#CCCCCC[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 686703950 FZNNFPHXAHWVRF-ZEQRLZLVSA-N 429.649 4.964 30 10 IJEE N#CCc1ccc(F)cc1[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687753346 LYCKXOAAXPOQRW-DEOSSOPVSA-N 444.462 4.946 30 10 IJEE CC(=O)c1cc(Br)ccc1OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732503549 JALXCLBGTPHLPI-UHFFFAOYSA-N 437.249 4.930 30 10 IJEE CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H]1CCN(c2ccccc2F)C1=O 732877782 HYPRFAAZNKJDIY-URXFXBBRSA-N 442.494 4.750 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)cc1OC 779702680 HDDBZNVAGUYLFV-NJBZPOFQSA-N 425.529 4.924 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](c2ccccc2C)C[C@@H]1C 809889835 MVMGMGXUGQLFTP-RBBKRZOGSA-N 445.567 4.581 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCN(c2ccc(C)cc2)CC1 809925959 FWBDDBMJZDHISZ-DQEYMECFSA-N 443.595 4.734 30 10 IJEE O=C1C[C@H](c2ccncc2)c2c(ccc3c2O/C(=C/c2ccccc2OC(F)F)C3=O)O1 1081778491 OOQLCUDDCQIQLX-YDDPGSGASA-N 435.382 4.740 30 10 IJEE Cc1ccccc1NC(=O)CCSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1 1084074471 DVCGQNKXDTYATC-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE CCOC(=O)c1ccc(N=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1084276407 RJQVRLWDHYHCGH-IBGZPJMESA-N 430.504 4.870 30 10 IJEE Cc1cc(Br)ccc1N=C1NC(=O)/C(=C\c2ccc(N3CCCC3)o2)S1 1084433643 MEIIUTJXCXFRCE-LFIBNONCSA-N 432.343 4.842 30 10 IJEE C#CCSCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 1124685505 ZVUQPZNRBZLPDW-INIZCTEOSA-N 440.512 4.707 30 10 IJEE Cc1ccc(-n2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c3c2CCC3)c(F)c1 1124868057 DHRNNZIGSXXPEW-UHFFFAOYSA-N 430.527 4.979 30 10 IJEE CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1 1125305774 DXSZFYLMEXKYOC-UHFFFAOYSA-N 442.519 4.964 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccccc2-n2ncc(Cl)c(Cl)c2=O)c1 1125755660 MVNQHNGKOANLNW-UHFFFAOYSA-N 430.291 4.747 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)cc1OC 1128721792 CXFVOQDSOROCRM-QPEQYQDCSA-N 432.451 4.677 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 1141492200 HGZJIIJPTPJMIM-HSZRJFAPSA-N 433.017 4.942 30 10 IJEE C=CCNc1ncc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)s1 1150879627 OQCOTCUDOXOWBS-UHFFFAOYSA-N 432.471 4.997 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1158492512 XNTBJDSZTXDQEO-DEOSSOPVSA-N 426.582 4.625 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3)C(=O)OC 1165421142 DHLMUKQOCUCKTQ-MLGOLLRUSA-N 444.553 4.531 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(Cl)c1 1165889318 MWEKLMFKHWHRBH-PASDCYSWSA-N 431.005 4.818 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)ccc1OC 1177870710 NNDDVZDPBWJAOT-SFHVURJKSA-N 436.474 4.917 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(OCc3ccc(C)cc3)cc2)cc1 1179554580 HLJMTERKNJDJEW-UHFFFAOYSA-N 436.577 4.993 30 10 IJEE C=C(C)[C@@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)c1ccc(F)c(F)c1 1193574997 KTNSQZIHZQAEDS-DNVCBOLYSA-N 430.264 4.513 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@](O)(c4ccccc4)C3)c2)cc1 1214719088 HCWBGWIZYCPAKR-HHHXNRCGSA-N 441.531 4.847 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](C)Cc1c(OC)cc(OC)cc1OC)c1ccc(F)c(F)c1 1234556660 VLDDVGOYFBMIIL-RCDICMHDSA-N 434.483 4.538 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)cc1OC 1264513623 DREGTPTZQKCLTA-QARUFBMTSA-N 446.341 4.922 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(C(=O)OC(C)(C)C)CC=CC1 1264906069 YWZIQCMWPWWPPF-UHFFFAOYSA-N 438.337 4.781 30 10 IJEE C=CCC1(CNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CCCC1 1272416622 BALJBMWSZQIMQY-JXAWBTAJSA-N 432.586 4.670 30 10 IJEE Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc(C#N)c1Br 1276487721 BOSTWGUOBMGZFJ-UHFFFAOYSA-N 443.732 4.958 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC2(CCCCCC2)C1 1286351835 VWRQXEWXUIUASV-UHFFFAOYSA-N 426.992 4.865 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)Cc1cccs1 1286443224 CMEUFPRECJETKM-GOSISDBHSA-N 431.565 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCc2ccccc2C1 1286522903 PTDNSOGYYMAOCR-HHHXNRCGSA-N 433.644 4.696 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)c1ccccc1 1286584951 WWOOJJIBTBVAQB-MRXNPFEDSA-N 428.378 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](c2ccccc2OC)C1 1286673506 WFNQSEYAPTZDEL-NRFANRHFSA-N 431.584 4.869 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@H]1CCO[C@@H](C)C1)C1CC1 1286732437 SRIRWLSVBAMCGK-GBESFXJTSA-N 428.552 4.917 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 1286737538 NXEAZJZQXGTCQR-GOSISDBHSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCSC1 1286740538 PFSNAFQBTGGOLQ-FQEVSTJZSA-N 435.597 4.685 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1Cc1cc(Cl)c(OCC)c(OC)c1 1286746758 DCIQOXOEDUTRTM-UHFFFAOYSA-N 432.977 4.950 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)cc(OC)c1OC 1292302693 AKAVMMUQNWYXPH-NRFANRHFSA-N 446.588 4.522 30 10 IJEE C=CCNC(=O)CNC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 1295643135 DUFJTEKIFWEMQR-UHFFFAOYSA-N 427.548 4.982 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1300275330 TUAJUWCMYBMNOX-ANZJIFDASA-N 437.632 4.613 30 10 IJEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1300362998 WAMZWAVOZQWFSP-ORFBVSJDSA-N 428.621 4.540 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCO[C@@H](C)C1 1300603736 XZZPOZCNRNBWDV-UNMCSNQZSA-N 431.584 4.627 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2sccc2C1 1300971985 HVSMCMBDIHOWEM-QGZVFWFLSA-N 442.560 4.774 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCc2ccccc21 1301379485 MMCANCSFYPFQOK-GOSISDBHSA-N 434.975 4.623 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C(F)(F)F)C1 1301541991 HQHCAHUNUXZSGJ-INIZCTEOSA-N 428.886 4.968 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3)C(=O)OC 1307259312 OMKJKVVANGSCLE-GOSISDBHSA-N 440.590 4.926 30 10 IJEE CCOC(=O)c1c(NC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)c(C#N)cn1CC 1310890772 AOFNTGIQBXLXDJ-UHFFFAOYSA-N 436.434 4.629 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCO[C@@H]1CCCC[C@@H]1C 1315603407 DDEGVPYFDNLPLM-PIBDYAPNSA-N 437.588 4.679 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2cccnc2SCc2ccc(Br)cc2)C1 1320925321 RUCDIWVNVAJLJI-KRWDZBQOSA-N 433.371 4.554 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 1351975533 FTLGXVGOQPKMID-QFIPXVFZSA-N 445.541 4.611 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccccc1O[C@@H]1CCOC1 1358208300 MWLQHWBINUSXRB-LJQANCHMSA-N 448.332 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(CC)CC 1358871927 LZPPYUONQGUJPR-ZCNNSNEGSA-N 446.039 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1Cc1csc(-c2ccco2)n1 1358898095 MDFCZVHUABVEQF-QGZVFWFLSA-N 447.564 4.642 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCC(C)CC1 1359001211 OHINSYVHBDGKBQ-FQEVSTJZSA-N 444.023 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCO[C@@H]1CCCC[C@H]1C 1359073081 BPMPFJQECMHMON-WHSBFGAESA-N 436.600 4.753 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](C)c1nc(C)cs1 1359074167 TYWYBVNUIVBGNV-WAIKUNEKSA-N 439.560 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCC[C@@H](C)C1 1359111793 NIMZXPFNXZVBRF-HXUWFJFHSA-N 434.588 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC(C)(C)N1CCCCC1 1359114426 LCEJKCXYQSITLO-UHFFFAOYSA-N 425.621 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1359115272 RNZBXEFBJILRJS-LJQANCHMSA-N 443.555 4.520 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCN(C(C)C)C2)CC1 1359160429 UVPJULPOPHGGDE-SFTDATJTSA-N 441.595 4.834 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1359195751 RCQSXSBVOQMSBE-JOCHJYFZSA-N 426.605 4.672 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1359201554 RQTMZFWLLRXCMV-URXFXBBRSA-N 447.631 4.524 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(OC)CCC(C)CC1 1359235933 SZCMFJOWBWQNPR-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCC[C@H]1CCCCO1 1359263475 CCFJKXZDBZTGDQ-VQTJNVASSA-N 430.618 4.776 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCN(C(C)C)C2)C1 1359317015 AJJFGLZBGXKSRS-UXHICEINSA-N 444.023 4.500 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1cccc(F)c1 1359929247 ASLUTYOQNLZALC-LJQANCHMSA-N 427.568 4.665 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 1360374008 JXURHZFUCZARBC-UHFFFAOYSA-N 426.266 4.885 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(OCc3ccccn3)cc2)o1 1361169395 CPBVRJPTFVDQOK-SFHVURJKSA-N 442.523 4.607 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 1436505971 CRASQLUWSUEVMK-KRWDZBQOSA-N 449.869 4.678 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)c1ccc(Cl)cc1 1436648486 SKMVTAZBFAYGOJ-JOCHJYFZSA-N 442.902 4.862 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1 1440253992 WXXKXVGJFCWFDU-LJQANCHMSA-N 425.472 4.736 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 1442073310 AZFBKUDBGLWVHH-BVYCBKJFSA-N 446.563 4.535 30 10 IJEE C#CCONC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)C[C@@H](C)C2 1453279761 JOVDKFLDGPVBNN-FDCFBWIESA-N 442.515 4.670 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cnn(Cc3ccccc3)c2Br)c1 1455928477 QEVSUNHRSMQDIP-UHFFFAOYSA-N 426.314 4.901 30 10 IJEE C=CCn1c(Sc2ncnc(C(F)(F)F)c2Br)nnc1-c1cccs1 1458242112 HMWGRYIEEVBUOM-UHFFFAOYSA-N 448.293 4.915 30 10 IJEE N#Cc1ccc(CN(Cc2sncc2Br)c2ccc3nc(O)[nH]c3c2)cc1 1459696977 JOALDVIKHCTSLS-UHFFFAOYSA-N 440.326 4.566 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@]2(N(C)C)CCC[C@H](C)C2)cc1OC 1461093304 WNGFSDFWNVHMIN-KKSFZXQISA-N 425.411 4.623 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2nc([C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)n1 1467146559 IMSKOIMIDJERAW-LSDHHAIUSA-N 439.507 4.863 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1467564216 XAHMMTDEMOMCGF-OAHLLOKOSA-N 426.460 4.591 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(Br)ccc1C)c1ccc(Br)cc1 1470662814 IPGDZSPYIWLNPV-QGZVFWFLSA-N 436.147 4.694 30 10 IJEE C=CCn1c(SCC[C@@H]2COC(C)(C)O2)nc2sc(-c3ccccc3)cc2c1=O 1472967473 HFFRVXOYULFSFB-MRXNPFEDSA-N 428.579 4.945 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1476429834 OJQUFFZNTFQXLG-FQEVSTJZSA-N 441.572 4.590 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 1478558615 FKQGNTQDZSEHQJ-FXAWDEMLSA-N 433.321 4.851 30 10 IJEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C(CC)CC)no2)C1 1503148427 DHHHQNMAVNJVDC-IBGZPJMESA-N 448.571 4.619 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC[C@@H](C)C1 1507518064 KLIQZUCVNHKDOZ-NHCUHLMSSA-N 444.627 4.542 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1507571798 NHPNQIHCGOBJJV-YUMYIRISSA-N 442.648 4.784 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCCC1 1507597078 SYUIYYQFYSKJLS-FQEVSTJZSA-N 429.609 4.780 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1csc(C(C)C)n1 1507679141 HBYHCLGPIMIZJP-KRWDZBQOSA-N 441.576 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)[C@@H]1CC 1507804662 LORMEBALQWGBHV-XQYWTEMXSA-N 430.543 4.753 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1507836251 COPXHDHYHHVSLS-XPWALMASSA-N 438.616 4.913 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C)[C@H](C)C1 1507847838 LREMJEOHRPBRIQ-RBUKOAKNSA-N 430.618 4.654 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)COCC)CC1 1507877922 FDIJVLLUOQWFNK-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCO[C@@H]1CCCC[C@@H]1C 1508003891 FTTDCCXIPFJCFK-NZQKXSOJSA-N 432.572 4.523 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCSC1 1508008265 LCERRVGRSOCUDB-IBGZPJMESA-N 437.588 4.739 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCO[C@H](C)C1 1508028846 WERYADRDZMJYEL-NHCUHLMSSA-N 445.567 4.850 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1508103854 FGOHFHAYAQMVRE-GOSISDBHSA-N 445.489 4.675 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1cccs1 1508106675 ZBXJMHDLDRDNMU-QGZVFWFLSA-N 434.569 4.551 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C)CC1 1508159015 PMTPUTLGXSEAFF-SFHVURJKSA-N 430.618 4.898 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1508166726 CXRFWUDVTBXONY-JKSUJKDBSA-N 439.050 4.760 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](SC)C(C)(C)C 1513679385 BNLSRSUJMDEMOF-FXAWDEMLSA-N 429.634 4.936 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c(OC)c1 1528659442 AXDYHDHFWFMUOB-UHFFFAOYSA-N 429.516 4.721 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccccc2)nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1529014571 KBAGXSRIVDXIMT-VWLOTQADSA-N 428.532 4.860 30 10 IJEE CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1530082061 IBWXHEYUXPCEAB-AVRDEDQJSA-N 435.955 4.785 30 10 IJEE C#CC[C@H]1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)C1 1533633833 JLQUOXUHIPLEOF-INIZCTEOSA-N 444.503 4.504 30 10 IJEE C#C[C@@H](NC(=O)c1ncc(Br)cc1Br)c1ccc(Cl)cc1F 1535504283 ALIWDPBYTZXRSY-CYBMUJFWSA-N 446.501 4.503 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nccnc1C 1538972007 GLFBWBUWGXCRNN-CQSZACIVSA-N 436.972 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccncc1Cl 1539296400 PNSKPAKBMVSQRD-FQEVSTJZSA-N 447.970 4.595 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1539525121 TYODFSBVQQGHTG-OAHLLOKOSA-N 432.565 4.772 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1539574127 HTEABVHXYUXNOE-GFCCVEGCSA-N 431.787 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC1CC1 1539614790 CFXFYTXDRSWHJZ-JLMWRMLUSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccccc1Cl)N(C)C 1539667609 KWJXHKFSDYUNQX-GHTZIAJQSA-N 432.012 4.531 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@@](C)(CC)C1 1539788156 YYMHWEKKJLQMCN-QHCPKHFHSA-N 448.995 4.890 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nccc(C(F)F)n2)CC1 1539835539 DAFLUQMEPGDHBK-UHFFFAOYSA-N 434.853 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N(C)CC1COC(C)(C)OC1 1539926015 GHDQARFFWSDSBE-UHFFFAOYSA-N 426.605 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@H]1CCC(=O)N1 1539932097 VNWZORPOIUCBDG-ZTNFWEORSA-N 445.995 4.673 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCc2ccccc21 1539946739 DDRWDBSNLIOOQJ-QFIPXVFZSA-N 435.616 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1c(C)noc1C 1540056547 LBXKBQJYKWTYTR-UHFFFAOYSA-N 436.741 4.636 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccc(CC)cc1)N(C)C 1540092633 PCMJDWZGLYOKCG-DNVJHFABSA-N 439.648 4.684 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(OC)C1CC1 1540135720 ACNHHPSSSBQCQH-XUZZJYLKSA-N 428.552 4.667 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(Cl)nc1 1540154568 ZJHXDJGTBDSIAC-UHFFFAOYSA-N 431.931 4.610 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1c(CC)nn(C)c1CC 1540158264 DDQQEAAEJPOZLO-UHFFFAOYSA-N 442.970 4.823 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1ccccc1-n1nc(C)cc1C 1540175263 XJHKIWOPSFTICR-UHFFFAOYSA-N 444.608 4.960 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCSC)C1 1540885925 RJCCFAYPXBYAGD-SFHVURJKSA-N 432.659 4.810 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CCCCC2)C1 1540886030 UIQJAMDBIJWYKF-JOCHJYFZSA-N 438.616 4.719 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCO[C@@H](C)C1 1540909177 ABEYFFCRPXBLDJ-ICSRJNTNSA-N 430.618 4.569 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CC1CCN(Cc2cccs2)CC1 1541118553 CSEJELBPNRLEAE-LJQANCHMSA-N 440.661 4.580 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1)OC 1545282327 FSLUBXFBSINMFT-KFKAGJAMSA-N 435.494 4.657 30 10 IJEE COCCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1555412360 CLPPUXSRWLBIDE-UHFFFAOYSA-N 437.588 4.528 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(Sc2cccc(Br)c2)n1)C(=O)OCC 1556642315 IDYCAQVHTAHPEC-KRWDZBQOSA-N 449.370 4.623 30 10 IJEE C=CCn1c(SCCOc2cccc(OC)c2)nc2sc3c(c2c1=O)CCCC3 1559330524 DFGQPESXMQVUMD-UHFFFAOYSA-N 428.579 4.703 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1 1560110344 JEFTWMBLNPYSOD-CTNGQTDRSA-N 434.609 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1587621543 WRNVYSHPDNODDN-NJYVYQBISA-N 432.616 4.642 30 10 IJEE C#CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 1587711819 HAASKMAASCDVAE-OAHLLOKOSA-N 442.972 4.616 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CCC 1587847058 CMBPZBXPTWJLET-LJQANCHMSA-N 434.588 4.522 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCOC1CCCCCC1 1587926695 DPRYQFMYGGPTLE-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C 1587980026 VIQFDIMUURTZMF-ACJLOTCBSA-N 425.356 4.746 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC[C@@H]1CCCCO1 1588015645 BVLVHJLCSRMGRA-KRWDZBQOSA-N 437.371 4.583 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1588162007 FZFQEQQCZLKZQP-FPOVZHCZSA-N 444.501 4.607 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1589317844 VQPQWTWWWHJINZ-XJKSGUPXSA-N 446.176 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(C(C)C)CC1 1589557118 GTNPJRZIGBQAGY-RCZVLFRGSA-N 438.616 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cc(C)on1 1589608724 MUHVVPBTENUROL-UHFFFAOYSA-N 434.313 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cnc2ccccc21 1589614737 FASRMWBEYWBKRF-UHFFFAOYSA-N 435.963 4.836 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(C)(C)C)CC1 1593696716 WJKNUVMPFDNTRL-QHCPKHFHSA-N 439.648 4.723 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2c[nH]nc2C)CC1 1594193506 QUGUVQNOEBAUEH-GOSISDBHSA-N 438.551 4.624 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)O[C@H](CC)C1 1594692661 BWDYELQNZJNIGA-JKSUJKDBSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1ncc(C)s1 1595115217 GLVIZBWJQOWYFG-NQIIRXRSSA-N 437.613 4.933 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCC[C@@]2(C1)OCc1ccccc12)C(C)C 1595171086 QADXSLMLYYSLBR-IGKIAQTJSA-N 449.643 4.565 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1[C@@H]1C[C@H]1C(C)C 1595276166 XRNXERHHZFEGSI-PKOBYXMFSA-N 433.394 4.872 30 10 IJEE C=CCNC(=O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 1611100016 GRLODKUUCZJJKY-UHFFFAOYSA-N 448.737 4.894 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC(C)(C)C1 1612916641 DAYHBECGROPSPW-UGKGYDQZSA-N 434.632 4.810 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nc2ccccc2c1=O 1613240928 IFBIGFBRVQJYOV-QGZVFWFLSA-N 435.332 4.896 30 10 IJEE CC(C)(C)N[C@@](O)(/C(C(=O)c1ccccc1)=C(/O)C(=O)Nc1ccccc1)c1ccccc1 1616048794 PGFGFFCIGBDJNT-NWYNGYJSSA-N 444.531 4.554 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)c1ccccc1 1616818367 SYSCGGCHZKOABG-SSEXGKCCSA-N 427.526 4.684 30 10 IJEE COC1(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@H](C)CC#N)CCC1 1619044027 DNLUGQIOEMAJTF-QUCCMNQESA-N 425.577 4.733 30 10 IJEE COC[C@H](C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N 1619572409 AVRZSHXUSQHGIC-OLMNPRSZSA-N 433.984 4.709 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(OCC(F)(F)F)cc1 1621685159 CSMJSTJJSGTGBB-SNVBAGLBSA-N 445.356 4.825 30 10 IJEE C#CCOc1cccc(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2CC)c1 1623086555 MJNUKXHAYUKAQQ-QFIPXVFZSA-N 437.540 4.649 30 10 IJEE C=CCC[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)OCC 1624303473 IWEXCTGIRQICPO-MRXNPFEDSA-N 425.312 4.595 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)N[C@@H](c3c[nH]c4cccc(F)c34)C(F)(F)F)CCO2)c1 1625854854 FPNDLYJMTKSQNP-QUCCMNQESA-N 446.404 4.565 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc(SC)cc2)cs1 1627218902 MTJGIECBVZMUHC-INIZCTEOSA-N 431.583 4.777 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)cc(OC)c1OC 1630154426 MDEXQUWWQOENPB-WOJBJXKFSA-N 436.596 4.840 30 10 IJEE C#CCN(C(=O)/C=C/c1csc(C(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1634817340 AGPRACVIRMNPPQ-VOTSOKGWSA-N 442.503 4.641 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)c1 1634827395 BRTZZNLBEQTFIV-IBGZPJMESA-N 447.556 4.650 30 10 IJEE C=CCC1(NC(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CCCC1 1635091862 ARHNDCSUHRGMIR-GOSISDBHSA-N 448.405 4.749 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1OC)c1ccc(Br)cc1 1636563334 XCUMFJUZYXNGKV-UXHICEINSA-N 427.342 4.549 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1 1636906414 CLZGNESWMMPOAH-UHFFFAOYSA-N 434.540 4.994 30 10 IJEE C#CC1CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1639863089 KWOFIXUJDTWUNM-AREMUKBSSA-N 444.575 4.812 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(c2ccccc2C#N)CC1 1641665870 ASTODMMUOOMDRS-HXUWFJFHSA-N 442.588 4.859 30 10 IJEE C#CCN(c1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 1642275061 NOMSKEFOMQQJRA-SFHVURJKSA-N 438.281 4.869 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1643322512 DYRUGSMKFKWQKC-WBVHZDCISA-N 439.478 4.593 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1648427529 WNWMZWARFDTKAO-LJQANCHMSA-N 440.569 4.794 30 10 IJEE C=CCn1c(SCCO[C@H]2CCOC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1656187288 RMFYCQWLDCNDDS-KRWDZBQOSA-N 428.579 4.517 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)n(-c2cccc(F)c2)c1C 1657653828 DSIUQPKTVGODFY-OAQYLSRUSA-N 444.432 4.937 30 10 IJEE C[C@@H]1C[C@H](CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCN1C(=O)OC(C)(C)C 1657957200 AVIGIGQNHMLTCF-WOIUINJBSA-N 447.023 4.558 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 1663868533 QJZAWAIFWHSLJT-UHFFFAOYSA-N 447.940 4.985 30 10 IJEE CCCC(CCC)N(CC1C[C@@H]2CC[C@H](C1)N2C)S(=O)(=O)c1c(C)cc(F)cc1C#N 1667446959 IAUUJLLFACYGRP-KWZJIHQYSA-N 449.636 4.838 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3OC3(CCC3)C2)cc1 1667791047 SGHCNCTWGQVHKJ-UHFFFAOYSA-N 431.536 4.850 30 10 IJEE N#CC1(CS(=O)(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)CCCCC1 1668649281 BTVZZQWDNQRKTR-LJQANCHMSA-N 439.419 4.554 30 10 IJEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3c(-c4ccccc4)cccc32)cc1 1670762277 DKWBFVPPGVQQAI-QGZVFWFLSA-N 431.517 4.634 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1670826396 DTIMUVFZVVZSOF-WWNBULGVSA-N 427.511 4.510 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)c(F)c3)CC2)c(Cl)c1 1673281644 DOCMOHCLUWXHTE-UHFFFAOYSA-N 426.801 4.724 30 10 IJEE C=CCCC1(CNC(=O)NCc2cc(OC)c(OC)cc2Br)CCCC1 1678518672 FPDJTSCRPXQYSV-UHFFFAOYSA-N 425.367 4.792 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1ccccc1OC)C(C)C)c1ccc(Br)cc1 1680085140 NTAXYXGDMRLDEY-WOJBJXKFSA-N 429.358 4.699 30 10 IJEE C#CCN(C(=O)NCc1nccn1CCCc1ccccc1)[C@@H]1CCCc2ccccc21 1685371137 ZUTAQGYAFMGORR-RUZDIDTESA-N 426.564 4.738 30 10 IJEE C#C[C@H](NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(Cl)cc1 1686918578 OXWOMDJWDDTOLI-NRFANRHFSA-N 441.959 4.751 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1690305795 IFDNCDMDUOKHQD-RXVVDRJESA-N 437.975 4.969 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690306230 QCLCKDHQRUFDNS-AREMUKBSSA-N 449.599 4.727 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690406771 RUTOVVMUHUJWLP-ZWKOTPCHSA-N 445.405 4.661 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690451508 INPAVVNSILNCHT-IRLDBZIGSA-N 437.588 4.509 30 10 IJEE C=CCCOCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(F)(F)C1 1690497057 GPBDQMCMJGKQGP-UHFFFAOYSA-N 445.539 4.815 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1C1CC1 1690558615 WMPANPPUORIOGG-HSZRJFAPSA-N 432.616 4.657 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCO[C@@H](C)C1 1690605840 ZIVIZGRPMLUGHC-ZWKOTPCHSA-N 441.963 4.637 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2CC[C@H]2CCCCO2)c1 1692974197 GNNROXIEOYMDSI-JOCHJYFZSA-N 437.588 4.563 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCN(C)C1CCCCC1 1705505788 NXSXANPVWYEJEG-HXUWFJFHSA-N 425.646 4.601 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705522992 PWKLYZHMILDXGA-PLACYPQZSA-N 430.637 4.640 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)[C@H]1CCSC1 1705537150 WAAAOMICCKZNEW-IBGZPJMESA-N 433.021 4.607 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705758853 FVAHQEOJFCMVRW-QGZVFWFLSA-N 426.870 4.620 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1705781092 PILHWUJLNIRABB-IBGZPJMESA-N 431.625 4.625 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](CC)O[C@H](C)C1)c1ccccc1 1705797725 BDGCLBBSWLXNLW-HUVFLSCGSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H]1CCOC1 1705800907 NNHPVDMZYOBLEM-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC2(CCOCC2)C1 1705815146 MPNASBCWDYRRKJ-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccccc1Cl)N(C)C)C1CC1 1705853245 UWOIORGLXLCMCW-JOCHJYFZSA-N 436.991 4.760 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CC1)N(C)C 1705859840 ZVZSUUVCBLNGBX-NRFANRHFSA-N 436.991 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)OC 1705863719 CITMBMLMWAPLGD-QGZVFWFLSA-N 434.569 4.624 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCC[C@@H]1C 1705868050 ADBZIOJBZWFQJN-MHECFPHRSA-N 440.588 4.813 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCN(CCC)CC1 1705941922 AXIDCJRLZCENIC-UHFFFAOYSA-N 439.629 4.921 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1 1705949324 WAXBRGWKWZOJTC-PMACEKPBSA-N 444.645 4.822 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1706074657 BYFPNYNIQWAIDN-FYYLOGMGSA-N 434.632 4.834 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CC)c1 1709736812 AJWHSTRAIIONII-UHFFFAOYSA-N 445.596 4.602 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722288068 VUBVXVNMTSUMQU-CEXWTWQISA-N 428.024 4.813 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722324520 TVHMFEURFLRLQV-UZLBHIALSA-N 432.490 4.842 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1722340804 IQOPERHQNHZXSY-TUFLPTIASA-N 441.620 4.778 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722543189 MPZHKZLUNLYWBB-ZHRRBRCNSA-N 436.959 4.951 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722543226 GLPJISLFMLAHGB-OAHLLOKOSA-N 441.885 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCSC(C)(C)C1 1722589937 QXWPBYCKCVRNLA-UHFFFAOYSA-N 430.618 4.800 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)c1ccccc1 1722596650 MCJIRIPGLXUVPH-SIKLNZKXSA-N 437.588 4.573 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCCCC1 1722654516 PEQHAPORGQGTSJ-NRFANRHFSA-N 434.632 4.762 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCC1(F)CCC1 1722678956 IZOOZHUIWIHXMW-UHFFFAOYSA-N 437.357 4.629 30 10 IJEE CN(CC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CC(F)(F)F)CC1 1729379288 BNMNFHRZPHRUAP-UHFFFAOYSA-N 448.537 4.573 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCN1CCCC[C@@H]1C 1740603271 LROXSGIJHQZSGG-UXHICEINSA-N 439.673 4.855 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1cccs1 1740678751 ISJRNKZMHQRKHV-DEOSSOPVSA-N 440.588 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1 1740728045 KGWBZBUQJZMXLO-FGZHOGPDSA-N 426.973 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)cc1 1740763503 LUWMOBIQYBWODM-UGKGYDQZSA-N 426.561 4.687 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCNc2ccccn2)CC1 1740841268 LDPKQUPYWYUMPP-UHFFFAOYSA-N 446.599 4.774 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740843170 AGWPGATVAGTMPU-NRSPTQNISA-N 426.605 4.844 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1740848076 BNCFAECBFHNBKP-QFIPXVFZSA-N 436.600 4.874 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(C(C)C)CC1 1740865814 SEOXMQCRWRWIEB-UHFFFAOYSA-N 432.012 4.787 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCCCCC1 1740924802 DJHXGPYXEDPUHM-UHFFFAOYSA-N 432.515 4.810 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)CN1CCCC1 1741797732 AXDOLTRTOCTWQM-INIZCTEOSA-N 432.975 4.598 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H](C)C#N 1746990655 AIUVRISLLIAHLC-IAGOWNOFSA-N 429.634 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@](C)(O)C(C)C 1749147674 NJVFNVPPYCJNCV-HXUWFJFHSA-N 439.373 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC1(c2ccccc2C)CCOCC1 1749149700 DKSAXEAJULTZKI-UHFFFAOYSA-N 431.584 4.799 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)CCC1CC1 1749216079 IOYAWQCOBVEILO-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCS[C@@H](C)C1 1749261733 YRIPKQONDGPASF-INIZCTEOSA-N 437.009 4.827 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@]2(C)CCCO2)CC1 1749296131 JGJSUOGWZURFGF-RUZDIDTESA-N 440.588 4.858 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OCCC)nc2)CC1 1749305755 QDDBBUNRKHIHDZ-UHFFFAOYSA-N 439.510 4.536 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccc(C)o1 1749407117 VBVDRJLIUQXPRT-SFHVURJKSA-N 439.585 4.869 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1c(C)noc1C 1749416140 ZLJDFFFJXZOOEW-UHFFFAOYSA-N 436.379 4.977 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](F)c1ccc(Br)cc1)C1CC1 1749517468 OMGYYPJRYWXDRQ-APWZRJJASA-N 449.368 4.800 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CC)s1 1749530194 UUKFPLHJSBJAIG-LJQANCHMSA-N 438.597 4.655 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1nc(C)cs1 1749550722 HNMRPBWPKZQMBS-OAHLLOKOSA-N 439.614 4.501 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCO[C@@H]1CCCC[C@H]1C 1750062398 GJWLSJMXDABBDS-DNVFCKCGSA-N 447.587 4.526 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1760135238 NXNBNCCSDOROGV-UHFFFAOYSA-N 425.483 4.690 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)CN1CCCC1 1760227422 DVMRGNVBLWVYEW-OAQYLSRUSA-N 444.627 4.544 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@@H](C)[C@H]1C 1760303118 BYIFOLNXWTUPCV-KGLIPLIRSA-N 433.375 4.930 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCOC)CC(C)C 1760308446 FQWRYVGZKJCLMI-UHFFFAOYSA-N 441.801 4.540 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 1760354315 VVGBLKGRAYUMAU-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1760451825 VEFGAAYOPOYCOV-UHFFFAOYSA-N 440.897 4.814 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@H]1C(C)C 1760482755 PIPUMEJOUQIQDM-VQTJNVASSA-N 435.597 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H](CC)N1CCc2ccccc2C1 1760487045 IESJWBLKTGASAP-JOCHJYFZSA-N 435.641 4.932 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ccc(Cl)nc2)C1 1760536078 BYIMCAGZNQBGCZ-SFTDATJTSA-N 437.975 4.698 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccsc2)CC1 1760862878 ARHCEROBKSJFEE-XMMPIXPASA-N 435.597 4.669 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCCCC1)C1CCCC1 1766509902 AXJATDMZUSQMQC-UHFFFAOYSA-N 437.588 4.847 30 10 IJEE COc1ccccc1[C@@H](Cn1c(N2CCC[C@](C)(C#N)C2)nnc1C(C)(C)C)OC(C)C 1768855737 CKIURPVFPDVPIU-PXDATVDWSA-N 439.604 4.881 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnc(C)s2)CC1 1772555041 YUPKZMBHDQTAPA-UHFFFAOYSA-N 431.512 4.762 30 10 IJEE O=C(C[C@@H]1SC(=NN=Cc2ccc(-c3ccccc3Cl)o2)NC1=O)c1ccccc1 1772741952 PALALMHYAOSFQC-FQEVSTJZSA-N 437.908 4.795 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc3c(c2)OCCN3C(=O)C23CC4CC(CC(C4)C2)C3)c1 1858479284 CPLNGMPCWKSGLN-UHFFFAOYSA-N 441.531 4.752 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1862431555 JONFKBTZXBGJRS-HXUWFJFHSA-N 429.900 4.910 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(C(=O)O)cc1 1862459032 ASTQPTKKEWTXDX-IBGZPJMESA-N 447.409 4.571 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1F 1862463705 KCRRVBUERYMHRP-GOSISDBHSA-N 425.353 4.761 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(F)cc1F)c1cccc(O)c1 1862595431 MJWILMHAGZKOMC-HXUWFJFHSA-N 441.455 4.553 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Br)cc1)c1cccc(O)c1 1862599877 MGEPMOYNMOYAMV-LJQANCHMSA-N 442.309 4.676 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 1862612761 AGBPQMFKUMBNEX-HSZRJFAPSA-N 434.580 4.823 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1c(Cl)cccc1Cl)c1cccc2ccccc12 1862659176 ZAWNXFSQBRGXAR-HXUWFJFHSA-N 442.298 4.717 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C(=O)O)c1 1862678559 OGPNGHXEIINXER-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCC2)cc1OC 1862681523 BYIYSUCXRYWKRJ-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c(F)cccc2Cl)cc1 1862692242 HUDWZBJKLCHTGL-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccccc2)c1 1862699142 QOBVKKBKWVZTDW-DEOSSOPVSA-N 427.500 4.825 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2cccc(F)c2)c1 1862703481 VJWGNJPYTUQCDN-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862744614 QFWYZSGUEMCQLA-SGTLLEGYSA-N 448.397 4.990 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cccs3)C2=O)cc1Cl 1863101723 BZZJNQCRTHRTLW-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3cc[nH]c3c2)cc1 1870143797 CCWMMBHRCXMZRR-UHFFFAOYSA-N 428.496 4.832 30 10 IJEE C=CCn1cc(OCc2c(Cl)cccc2Cl)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870602200 RMOYXPBEQQQPAC-HOTGVXAUSA-N 437.367 4.529 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(F)cccc2Cl)cn1C[C@H]1CCCO1 1870636859 MRWPBKYJVYPFMN-LJQANCHMSA-N 446.950 4.573 30 10 IJEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870810258 UPYCMXATTMFCFF-UHFFFAOYSA-N 437.927 4.685 30 10 IJEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(C(C)(C)C)cc1 1871117912 WFGTXVGOFMSKDU-UHFFFAOYSA-N 441.616 4.983 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)s1 1871444229 UURPRPANDNSNNN-MXDDHBLUSA-N 449.532 4.740 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1871863131 WNDGJEOSMKOIPL-OAQYLSRUSA-N 444.553 4.834 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872080567 UYQMQJJADQVNLQ-QHCPKHFHSA-N 428.598 4.706 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872236083 UCKWSFNTOYKYLK-QFIPXVFZSA-N 440.952 4.897 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872243535 STRMWYFQTNKFLL-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1872358322 XUPZOALGCGZPRJ-JXFKEZNVSA-N 445.025 4.710 30 10 IJEE O=c1c(Br)c(N/N=C/c2ccccc2Cl)cnn1-c1ccccc1Cl 1873528645 DSIJZIZQZKGOHS-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(OC)cc1 1874216301 PPIHBHWYPXHSAZ-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1sccc1C 1874221893 FCPSRECBZREGTR-HYARGMPZSA-N 428.583 4.611 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc1-c1cccs1 1874422981 OQOJPYKGFBCAPK-CIAFOILYSA-N 445.639 4.800 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2O)c(C)c1 1874487073 YMDJQBPVWZCOKC-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874503597 QFADKXXMNMEKJP-FOKLQQMPSA-N 434.924 4.912 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1ccccc1C 1874524489 QHIFIAUYLTXAJD-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCCCOc1ccc(/C=N/n2c(S)nnc2COCc2ccccc2)cc1OCC 1874562818 SYWQTRZMIHLIKS-BUVRLJJBSA-N 440.569 4.743 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Cl)cc1 1874577637 YLWQZZGHCKBOBN-WEVVVXLNSA-N 436.733 4.904 30 10 IJEE CCc1ccccc1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874596735 AUIYCYWFSLUDQC-ZRDIBKRKSA-N 443.499 4.934 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1Cl)Nc1ccccc1 1874620931 AOIBIHLPPTZYAY-RMKNXTFCSA-N 435.863 4.982 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)COC 1875165041 OAJPTDZDFPDXKS-CSKARUKUSA-N 426.509 4.974 30 10 IJEE CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccccc2F)C1 1891125480 UHWHAOPZJBEITO-QGZVFWFLSA-N 434.355 4.992 30 10 IJEE C[C@H](COc1cc(Br)cnc1C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1896153158 SYGJZVOMYRVZAS-OAHLLOKOSA-N 446.345 4.920 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)CNC(=O)OC(C)(C)C)cc1 1948383131 XGNGFKJAGYGLEQ-GOSISDBHSA-N 433.549 4.880 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 1982478996 LRXRKXFQDKXDHT-RXVVDRJESA-N 430.511 4.973 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 2011945635 QJUUZCQDYMTKIS-UHFFFAOYSA-N 431.508 4.860 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 2032368303 ITYGRSAGYZQZEV-FXAWDEMLSA-N 445.560 4.976 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077975071 GFSRCYWWEUVBRM-XPWALMASSA-N 446.632 4.524 30 10 IJEE N#Cc1c(-c2ccccc2)nn(Cc2cc(F)ccc2I)c1Cl 2080307321 SXABWBVGTXJZRI-UHFFFAOYSA-N 437.643 4.867 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CNc1cc(Br)cnc1C#N)c1ccccc1 2175015996 ZHRAVHOZNVLXGL-GOSISDBHSA-N 431.334 4.736 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2c(Br)cnn2C(C)C)C1 2197750303 XOJGSOQNYKNJSL-QGZVFWFLSA-N 441.414 4.881 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](Oc3cc(Br)cnc3C#N)C2)CC1 2198820394 PVCJDOILGXCUJQ-OAHLLOKOSA-N 436.350 4.664 30 10 IJEE C[C@@H](CC1CCN(c2cc(Br)cnc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203609856 OUBFZXGDYUKGPA-AWEZNQCLSA-N 437.382 4.578 30 10 IJEE Cc1cnc(NCc2sc(C)c(C)c2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241075416 NECFUIMYGVFOTA-UHFFFAOYSA-N 437.212 4.742 30 10 IJEE CC1(C)OB(c2cccc(Nc3cc(Br)c(Cl)cc3F)n2)OC1(C)C 2266753039 LGSMDEZFOIRNGL-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CC[C@]1(COc2cc(Br)cc(F)c2N)CCN(C(=O)OC(C)(C)C)C1 2272150437 OXFVCWXMAUXDMN-IBGZPJMESA-N 429.330 4.753 30 10 IJEE C=CCCC1([C@H](N)Cc2cc(OC)ccc2Br)CN(C(=O)OC(C)(C)C)C1 2281040911 LPNGVWBPXXTVNX-GOSISDBHSA-N 439.394 4.531 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3cc(F)c(Br)cc3Cl)C2)OC1(C)C 2282972227 MVUUVEAOEVCBGU-NSHDSACASA-N 446.553 4.940 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@H](N)C#Cc2cccc(Br)c2)c1 2296223204 ZVPZZZBEKPLZEB-HXUWFJFHSA-N 429.358 4.568 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2296281237 JIZRCDHXNISHBG-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE CC(=O)c1ccc(-c2ccc(C=NNc3cnn(-c4ccccc4)c(=O)c3Cl)o2)cc1 2321669716 RMPMUSGHGPSTKS-UHFFFAOYSA-N 432.867 4.795 30 10 IJEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2ccco2)CO1 2321962551 LBQQWGDDYYCPFJ-UHFFFAOYSA-N 425.387 4.849 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1OC 2322211043 NMJRWADXGAAITP-UHFFFAOYSA-N 447.487 4.882 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccncc1)C3=O)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 2322436691 ATTKMPZTCRUOBI-NRFANRHFSA-N 448.906 4.545 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc(Cl)c1OCC 2323544066 LMWTVVOMNIFIEM-UHFFFAOYSA-N 434.924 4.630 30 10 IJEE CCOC(=O)CN(C)Cc1c(O)ccc2c1OC(=Cc1ccc(-c3ccccc3)cc1)C2=O 2324000129 XXYNUXAWMKJARQ-UHFFFAOYSA-N 443.499 4.670 30 10 IJEE O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCC[C@@H](CO)C1 2324208740 DQHHGEMHVBYXES-CYBMUJFWSA-N 434.319 4.520 30 10 IJEE CCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O 2324651468 PYHCRWXQENYTIL-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)c1 2325744398 AOEUYPHBLJFJPZ-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccc(O)c2)c1 2330547706 OAZFUNVANUSFTH-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1N=Cc1ccccc1F)NC1CCCCC1 2330589837 APSIAMICFZXHPR-UHFFFAOYSA-N 443.573 4.569 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)C1CC1 2330726837 ODYDIOXGMXFERC-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE COc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1O 2330824441 KSDAKFYZXVYJTI-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)C1CC1 2331700579 XFAWERDRWVHBNL-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339535718 NXOOUVQGVZFIMB-RTBURBONSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339586409 FLNBZFGKKRLMMD-DEOSSOPVSA-N 443.397 4.928 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2339587224 RHRUZJUZIFITGS-FHWLQOOXSA-N 442.365 4.503 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2360195763 BYXVWQLCROSUPR-DBVUQKKJSA-N 435.406 4.672 30 10 IJEE CCCN[C@@H](C#CC1CC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362736314 HYLUBBYELZSDJD-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CN(c1cc(Br)ccc1C#N)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2365498508 PDOFQNCIVRIYRP-MVVMVCHASA-N 434.378 4.793 30 10 IJEE CN(C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC12CC2)C(=O)OC(C)(C)C 2366035301 UOANAAGVSFMFNK-CQSZACIVSA-N 438.341 4.543 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc1 20833583 HXTYSNTZGZIQAZ-FVQJWRHTSA-N 438.557 4.591 30 10 IJEE Clc1ccc(-c2nnc(CSc3n[nH]c(N/N=C/C=C/c4ccccc4)n3)o2)cc1 20834164 XUNGEXNRBUSQSD-XJLPLWBLSA-N 437.916 4.912 30 10 IJEE C=CCc1cc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)cc(OCC)c1O 38170321 JNIJESIKHVXSJI-UYRXBGFRSA-N 436.533 4.753 30 10 IJEE C=CCc1ccccc1OCCCCn1c([C@H](C)N2CCN(C)CC2)nc2ccccc21 39917215 WZVPUASZYRXKKJ-QFIPXVFZSA-N 432.612 4.932 30 10 IJEE C=CCc1ccccc1OCCn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21 40278275 RVPWOZCBYDVVGT-UHFFFAOYSA-N 441.531 4.782 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCC(=O)OC(C)(C)C)cc(C)c3C1=O)cn2C 41432405 AYFVUZZYTYZYGP-YVNNLAQVSA-N 449.503 4.832 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1 59016335 LKCQEESKYMWDIY-VMIYJPFUSA-N 438.582 4.759 30 10 IJEE C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC 105003586 CNVNWVGJKBALJK-ZJSXRUAMSA-N 447.579 4.584 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccs2)cc1 169982332 YWGODLZTTQSBNR-JOCHJYFZSA-N 446.528 4.532 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccs1 169990112 DXJQZIZYUNLJTM-LJQANCHMSA-N 449.463 4.555 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccncc2)c1 170025368 BDFGASGBUFSYQK-DEOSSOPVSA-N 437.499 4.958 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170038041 LWWLTNDYAKLQBW-WMZHIEFXSA-N 447.487 4.589 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(N(C)C)cc1 170129707 POOPNIZVNVCKIM-XMMPIXPASA-N 448.563 4.846 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(O)cc1 170133605 KPXDNOHJZINOFO-FYSMJZIKSA-N 441.483 4.807 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccs1 170154957 XPGUGXHCDCRTNJ-OAQYLSRUSA-N 425.550 4.630 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)ccc1Cl 170194055 BNZORKOBYQHVMF-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1F)c1ccc2ccccc2c1 170250259 RBRINFPIXGNFIU-XXBNENTESA-N 431.463 4.736 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccco2)cc1 170266308 SOARVYLHDMOIOT-NRFANRHFSA-N 432.432 4.529 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1cccc(F)c1 170270834 UIPRCGKPSHDIKL-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccco1 170288802 CVAOXXZDXPWQQI-NRFANRHFSA-N 435.863 4.959 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccco1 170295193 TXVLAKOYCWUCEV-GOSISDBHSA-N 437.323 4.507 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(N3CCCC3)cc2)c1 170342597 SMPYEIJQZDYNOP-XMMPIXPASA-N 439.515 4.773 30 10 IJEE CC(C)COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccc(O)c2)cc1 170385378 NJFSOHQFPKWFII-QHCPKHFHSA-N 444.487 4.605 30 10 IJEE N#C[C@@H](c1ccc(I)cc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 310026930 VSJBBUBWKXHFHF-MJGOQNOKSA-N 446.288 4.557 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC=C(c2cccc(OC)c2)CC1 460546655 LCXMFOUASLKVOW-UHFFFAOYSA-N 446.551 4.744 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 460780843 SEHYCTDNVRURRP-ZJSXRUAMSA-N 430.600 4.502 30 10 IJEE CC[C@@H](CN(C)C(=O)c1cc(C#N)c(SC)nc1O)Oc1ccc(Cl)c(Cl)c1 470731513 FKKCLHJGHRGFLO-LBPRGKRZSA-N 440.352 4.617 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 508957016 VZJTVISRYPGYQV-VGOFRKELSA-N 440.494 4.769 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc([N+](=O)[O-])s2)c1 526488485 JQOPGEBPBHDMTM-HXUWFJFHSA-N 433.445 4.594 30 10 IJEE CCOc1cc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526606622 HOVPYQXJCARZPP-QHCPKHFHSA-N 430.435 4.859 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(F)c2)cc1OC 526606690 NAJUSVUYCZRUFA-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1sccc1C 526828094 WTTWFOOEAQQPQV-XKZIYDEJSA-N 428.583 4.952 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccccc1OC 526831934 ZDABKSBRVRNIDR-QRVIBDJDSA-N 442.541 4.572 30 10 IJEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 531869795 NRUNMDOXTHKELS-LJQANCHMSA-N 434.536 4.721 30 10 IJEE C[C@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 539336250 FTWOLQIXXLPATQ-SJORKVTESA-N 433.581 4.752 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 549676411 PSGDZRQCUIVSIV-HXUWFJFHSA-N 443.473 4.821 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 555240336 LBXJENPQVJCSOR-IAGOWNOFSA-N 431.378 4.537 30 10 IJEE C=C(C)CN(c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586244540 ZICQBUJUQFPQPV-UHFFFAOYSA-N 446.352 4.791 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 592075775 PBKNXWYKBOTUCT-UHFFFAOYSA-N 448.336 4.546 30 10 IJEE COc1cc(Br)cc(OC)c1OCc1ccc(C#N)cc1Br 611495645 BYNCTYUGECEYJI-UHFFFAOYSA-N 427.092 4.679 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H](C(C)(C)C(=O)OC)C1 619742970 HHSGDTKDAGODPH-QGZVFWFLSA-N 436.478 4.566 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@](C)(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 700603632 FVBMPKZPEJWIPF-MIOZMULLSA-N 441.572 4.961 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(C)n(CCc2cccs2)c1=S 727823453 UFPIAEOHARDBLE-UHFFFAOYSA-N 429.571 4.581 30 10 IJEE C#CC[C@H](OC(=O)CCCCc1ccc(I)cc1)c1ccccn1 729797915 GPBGOSVGEFSJBJ-IBGZPJMESA-N 433.289 4.707 30 10 IJEE C=CCN(C(=O)COC(=O)C(C)(C)OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 730887618 WESPEXDBEFPKJY-UHFFFAOYSA-N 443.352 4.604 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)Oc1ccccc1Br 732900877 XTEHCJLITRWLAQ-RHSMWYFYSA-N 443.341 4.689 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 735011985 CMJVRXMNZYNMFO-SFHVURJKSA-N 441.915 4.743 30 10 IJEE C=CCc1ccc(OCC(=O)O[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c(OC)c1 746137292 CASQLICEGSKBRY-CQSZACIVSA-N 428.872 4.810 30 10 IJEE C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 787055307 ZYQZPNJZYIDRLJ-NXTYKEFDSA-N 446.290 4.891 30 10 IJEE C=CC[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccncc1 788227201 ZSUSFHUQMPVLLD-RBUKOAKNSA-N 444.963 4.828 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@H]3CC[C@H]3C)C2=O)cc1 795177088 LBAYNGOIGDYCNV-NQERJWCQSA-N 435.549 4.648 30 10 IJEE C=C[C@]1(C)CCC2=C([C@@H](OC(C)=O)C[C@@H]3[C@@](C)(C(=O)OC)CCC[C@@]23C)[C@@H]1OC(C)=O 1076430841 PTPSBTFGOXVADZ-ZLBQLAPWSA-N 432.557 4.522 30 10 IJEE CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3ccc(Cl)cc3)S2)c1 1084621025 ZKMTWOQXJBBPPA-GOSISDBHSA-N 431.945 4.719 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4s3)CC2)c(F)c1 1125640629 BYPCBZMWEOSDLC-UHFFFAOYSA-N 433.430 4.893 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)cc1 1125648800 BTPBHLAJKDPEPN-UHFFFAOYSA-N 435.501 4.537 30 10 IJEE CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C#N)N(C)C 1126993996 IELWHNLRURZZCM-NRFANRHFSA-N 448.394 4.859 30 10 IJEE C=CCCCCCCCCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 1129528957 RLJNTLVWNGKWCM-UHFFFAOYSA-N 425.550 4.710 30 10 IJEE COc1cccc(Nc2ccccc2C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 1156038769 COLNZCQSDPXWAQ-UHFFFAOYSA-N 446.938 4.926 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 1161620237 YVIKDDTYIWXLFQ-LJQANCHMSA-N 442.934 4.782 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2cccc(Br)c2)C1 1163026986 MGLNWWDLTJGMFL-INIZCTEOSA-N 425.326 4.577 30 10 IJEE C=CCN1CC[C@@H](Sc2ncc(-c3ccc(Br)cc3)n2CC(C)C)C1=O 1165239093 QEZCLBWCWRGDHJ-GOSISDBHSA-N 434.403 4.848 30 10 IJEE C=CCn1c(SCc2cc(CO)ccc2F)nc2sc3c(c2c1=O)CCCCC3 1187972316 LTEQFWUHJOZONC-UHFFFAOYSA-N 430.570 4.837 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)C1=O 1205246372 XPVYGHAIUQLEKJ-QGZVFWFLSA-N 444.988 4.515 30 10 IJEE C#CCN(C(=O)Nc1ccc2ccn(C)c2c1)[C@H]1CCOc2ccc(Br)cc21 1216730860 DMNANBNQQFKCRH-IBGZPJMESA-N 438.325 4.932 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1cc(N2CCOCC2)ccc1Br 1218019226 IHJUYCSUWBOUFU-UHFFFAOYSA-N 448.336 4.645 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cc(OC)c(OC)cc1Br)c1ccccc1 1226477904 ORKBJBVAGRCCFA-SFHVURJKSA-N 433.346 4.973 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1ccccc1Oc1ccc(Br)cc1F 1228517260 RKMKOMSBEJLYKF-MSOLQXFVSA-N 449.320 4.865 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1)[C@H]1CCCc2ccccc21 1229370259 IUAQCIDIOYWPSV-UTKZUKDTSA-N 430.508 4.529 30 10 IJEE C#C[C@H](CC)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 1229532848 VYYBHLUEZXXLPI-XNMGPUDCSA-N 442.559 4.923 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](Oc2cccc(C(C)C)c2)c2ccccc2)c1 1264714752 ZJDHEXCEXLMBEY-AREMUKBSSA-N 426.516 4.666 30 10 IJEE C=CC[C@@H](OC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)c1ccc(Cl)c(Cl)c1 1270234814 CBAKTXZNIYWKQY-ZUZCIYMTSA-N 445.393 4.819 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1286325093 WYCQQAUTDLJLDC-DEOSSOPVSA-N 447.558 4.541 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1csc(C)n1 1286452575 RANAXAPFVCMMEG-HNNXBMFYSA-N 429.977 4.539 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286455853 ZYPMAGMKCGYKFR-NZQKXSOJSA-N 434.515 4.607 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCOC(C)(C)[C@H]1C 1286498361 GHOMZGYUWRYJQZ-QGZVFWFLSA-N 444.670 4.646 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H]2CCC[C@H]21 1286508680 PGGSBBPHFKEZSJ-AZUAARDMSA-N 445.032 4.607 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(CC(C)C)C(C)C 1286539630 BGNHOAJREATVQP-UHFFFAOYSA-N 427.337 4.927 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(SC)CCOCC2)CC1 1286637586 ICEPURFJSIEEPQ-NRFANRHFSA-N 426.630 4.889 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1Cc1c(C)nn(C)c1C 1286740631 RYKLIKMKWPCTCX-UHFFFAOYSA-N 448.615 4.611 30 10 IJEE C=CCc1cc(C(=O)N2CCc3cc(C)cc(Br)c3C2)cc(OC)c1OC 1287730769 RZASCBXALAWFHZ-UHFFFAOYSA-N 430.342 4.702 30 10 IJEE C=CC(C)(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 1297819931 CVUHNAHGUMRTAZ-UHFFFAOYSA-N 427.353 4.736 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnc(C)s1 1300349657 WSGKTYHCGVMJEY-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1300362572 RIWMLWVPSYEIDO-RTWAWAEBSA-N 428.964 4.555 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1300650287 SWKGKLOTEYTIIP-BVAGGSTKSA-N 438.591 4.851 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1300830442 WXKOIWFRTYRELI-HUUCEWRRSA-N 439.304 4.690 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(CC)C1 1300888736 LUTYCUWQUXTWCV-WNOPAQSVSA-N 445.007 4.509 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCC[C@@H]2CC)CC1 1301133952 CERARNFAFZXAOT-NRFANRHFSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C)C1 1301143077 CVCBMXCOFJTMIB-LJQANCHMSA-N 436.556 4.945 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1301321207 ZOSOIBUPFMVUHB-SFHVURJKSA-N 425.577 4.664 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1CC 1301348915 CPULMGZCEKDOFP-WOJBJXKFSA-N 439.579 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCO1 1301374645 CXJFBMFMCJSNGA-HXUWFJFHSA-N 435.341 4.594 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1 1301397610 XYKULTNGTJDAEK-SSGKUCQKSA-N 443.680 4.743 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1C 1301777642 FSCDQBZFSLRJEH-UHFFFAOYSA-N 447.564 4.789 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nccc(C(F)F)n2)C1 1304987895 CQEKNUBLHSAAKU-QAPCUYQASA-N 437.498 4.608 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)N(C)c2ccc(C)cc2)nnc1-c1ccc(OC)cc1 1307251440 ABDDEVBTCOXBIF-OAQYLSRUSA-N 436.581 4.982 30 10 IJEE C#CCN(Cc1ccc(F)cc1)Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 1308589631 IRBNDROXIWBWSQ-UHFFFAOYSA-N 429.467 4.880 30 10 IJEE C=CC(C)(C)CNC(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1311191216 NLNBXAJGNGHBPQ-UHFFFAOYSA-N 426.220 4.952 30 10 IJEE C=CCC[C@H](NC(=O)NCCCN(C)CC(F)(F)F)c1ccc(C(F)(F)F)cc1 1311558542 LGNFYSLZUGMMFL-INIZCTEOSA-N 425.417 4.896 30 10 IJEE CCOC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1314043515 GPCJGKVVJMYEIW-LJQANCHMSA-N 425.577 4.590 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccccc2)C1 1321312167 SVGMJKIGGXIUNN-XXBNENTESA-N 436.531 4.581 30 10 IJEE C=CC[C@]1(C(=O)NCC2(N3CCCCC3)CCCCC2)CCCN1C(=O)OC(C)(C)C 1349459308 KHTTUIYIHYPTEN-RUZDIDTESA-N 433.637 4.637 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c(OC)c1 1350141058 RWALMNPICHEUMT-KDURUIRLSA-N 437.536 4.811 30 10 IJEE C#CCCCCCC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1353670281 ASBTYIRZHLTGEJ-UHFFFAOYSA-N 427.342 4.901 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)cc1 1355007575 PLBLZLPCESTYCX-NRFANRHFSA-N 429.923 4.561 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1357806317 RCTXTIQTRIWXQP-UHFFFAOYSA-N 434.565 4.544 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC[C@H](OCC)C(C)C 1358875770 VNONDNOYFFCQOP-APWZRJJASA-N 433.394 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccc(C)cc1 1358877393 DAYYLZVCRPTNFH-OALUTQOASA-N 434.609 4.977 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1sccc1Br 1358953720 HIAKHJVMSDASDF-UHFFFAOYSA-N 447.427 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Sc1ccccc1 1358988716 AFZXYYFWUSUIQY-GOSISDBHSA-N 435.984 4.637 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1359015435 SSCVJNNBYMHATR-NZQKXSOJSA-N 437.588 4.510 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC2CCCC2)CC1 1359053424 MQRMVPADOROGEC-UHFFFAOYSA-N 445.032 4.893 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCc1csc(-c2ccccc2)n1 1359112570 NEMSTLXQVVODKS-HXUWFJFHSA-N 437.613 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359185039 JMCMNYAVNCSLEX-LJQANCHMSA-N 429.012 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359185148 MLIPIPOTJMLGTR-JOCHJYFZSA-N 448.398 4.571 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1359204749 ZSLNUKWVZJHXKG-LJQANCHMSA-N 445.539 4.538 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H](C)c1ccccc1 1359232696 BJPRMEWKJMNDHN-INIZCTEOSA-N 428.378 4.862 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1CC 1359254591 WUMRTMPDWQPKFY-NRFANRHFSA-N 425.621 4.651 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1cc(C(C)(C)C)no1 1359256950 VNHIMRKNKCRBTH-UHFFFAOYSA-N 430.556 4.944 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@@H]1C 1359264700 MUSKYQRQECUNAK-HKUYNNGSSA-N 428.627 4.857 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC2(CCCCC2)C1)C(C)C 1359265208 AUDKTCMDHFDRBV-XZOQPEGZSA-N 441.664 4.641 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCSC1 1359275821 HRJIQQLOMMKRIP-HSZRJFAPSA-N 433.625 4.642 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)c1 1359863179 GTSOUVPNABSAQU-JOCHJYFZSA-N 440.568 4.976 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCCCO1)C(C)C 1359992831 GBHCBDYIWTWHDK-NRFANRHFSA-N 425.577 4.559 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 1450702013 POOVKQYREUTHBD-LJQANCHMSA-N 445.535 4.923 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1 1450846868 KKGIOWYEUDWLMT-AWEZNQCLSA-N 443.522 4.675 30 10 IJEE C#C[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 1452203333 NIESIGMLDXYTKN-OAQYLSRUSA-N 429.907 4.759 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 1459933210 YRMIIIYOFFCLDT-VOCPSOEZSA-N 438.955 4.616 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c1C#N 1460567557 FKKCJGRJCXBNSZ-VGOFRKELSA-N 443.569 4.586 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1461528891 JQJXLGFONLSRIE-ALUDDVPBSA-N 432.586 4.668 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 1462570005 IXCSAEKQFCMSLP-CTYIDZIISA-N 441.314 4.716 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 1465181127 NJEUWXANLKZYJG-LJQANCHMSA-N 437.471 4.879 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1467613642 KOINFCKMLUMLCA-RTWAWAEBSA-N 428.001 4.698 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1)C(=O)OCC 1468125104 JWTUSSBEJHTLII-HSZRJFAPSA-N 431.536 4.784 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1468657525 SGZBAVLFBFRIKS-SFHVURJKSA-N 435.528 4.584 30 10 IJEE C=CC[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1)c1ccccc1 1469846176 SPUFFSNCJQZWFY-BJESRGMDSA-N 442.600 4.657 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1470490672 NWTDHSSRLSQORS-NVQXNPDNSA-N 441.616 4.997 30 10 IJEE CC[C@H](c1ccc(F)cc1)N1CCN(c2c(C#N)cnc3c(OC)cc(OC)cc23)CC1 1472868364 CQBCIHDJFHXBIE-JOCHJYFZSA-N 434.515 4.536 30 10 IJEE N#Cc1cc(Br)ccc1OCc1nc(-c2cc(Br)cs2)no1 1473003212 GYPDBUQJPROVMM-UHFFFAOYSA-N 441.104 4.774 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc2c(c1)nc(C(F)(F)F)n2[C@H](C)CO 1474172732 BHUQHKHNDSHCFB-CYBMUJFWSA-N 437.849 4.886 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(OC)ccc1Br 1474770989 VYPWLVLWFZAQGI-UHFFFAOYSA-N 436.780 4.550 30 10 IJEE COc1ccccc1Oc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1475827686 CIXRNGGHIFUKPC-UHFFFAOYSA-N 428.492 4.713 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@@](C)(C(F)(F)F)O1 1475957359 HZKIBQSCXMHWPS-FQEVSTJZSA-N 434.418 4.709 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccc(F)cc1 1476099187 XJELPBPMAPQYHL-HSZRJFAPSA-N 436.531 4.526 30 10 IJEE COC[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(Cl)cc1 1476319987 BUDMOXPGADIWNK-INIZCTEOSA-N 444.322 4.602 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc(F)c(F)c1 1478446172 PWYAOKYGPVZAPA-UHFFFAOYSA-N 427.264 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC[C@@H]1C 1507521806 QJKQRIMIMSTLTB-JYJNAYRXSA-N 431.378 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1507548073 QZCOGPHSVSWFKC-FCHUYYIVSA-N 439.673 4.705 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(C2CC2)CCC1 1507704456 CPNDBGSYBCDZDO-UHFFFAOYSA-N 433.383 4.918 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC[C@H](Oc2ncccc2F)C1)c1ccccc1 1507930495 XNZOYBAMRDDHAB-RTWAWAEBSA-N 435.547 4.782 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(F)c(COC)c1 1508007183 UUYFQVFZKKMCAJ-UHFFFAOYSA-N 449.555 4.928 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCc1ccc(F)c(F)c1 1508034545 XJZQZLPPFPZKJR-JOCHJYFZSA-N 442.510 4.869 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCCC2)c1C 1510373578 IGAAVUITTVHAOD-UGKGYDQZSA-N 438.620 4.507 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cscc1C 1513013451 AFAYMOGEGGFTLJ-MRXNPFEDSA-N 438.576 4.547 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)C1 1516905069 DDXHWBGPZUUQOI-QFIPXVFZSA-N 449.628 4.524 30 10 IJEE COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2Cc2sccc2C)cc1 1518202078 AIQJMEZBHDDYDK-UHFFFAOYSA-N 435.597 4.620 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1519990261 XVQZBARUEDNKBA-LLVKDONJSA-N 431.256 4.523 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)c1cc(N2CCNC2=O)ccc1Cl 1521370472 GEQZBRIBRQTQMB-UHFFFAOYSA-N 447.878 4.891 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(I)ccc2F)cc1 1522391653 CSYLUENRTDJQTB-UHFFFAOYSA-N 426.250 4.513 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(Cl)ccc2I)c(OC)c1 1523213156 UFUIKYQREHSKPA-UHFFFAOYSA-N 428.653 4.901 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1523444373 LYQSVAAHUPDXIG-SPLOXXLWSA-N 425.356 4.964 30 10 IJEE C=CCCCCNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 1523753311 YZWWGNPNCBTDKT-UHFFFAOYSA-N 432.973 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(F)ccc1Br 1525590340 IGJWLWDTBYLQHJ-CQSZACIVSA-N 428.302 4.504 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)CCCN1C(=O)OC(C)(C)C 1527381922 XACYAAZLKLJIFD-IBVKSMDESA-N 439.600 4.793 30 10 IJEE Cc1ccc(SCCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1C 1527915376 ATAXOJZFCFAPNF-UHFFFAOYSA-N 430.577 4.554 30 10 IJEE C#C[C@@H](NC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1528087394 CZBXRPZLCGQQHR-DOJUMQAQSA-N 430.298 4.501 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccc(C)c2)cc1 1529654639 IAMHFTHRSBULOJ-WIOPSUGQSA-N 434.536 4.553 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1530117098 ZBKVNRUBZPMFOU-OALUTQOASA-N 426.582 4.724 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CCCN1C(=O)OC(C)(C)C 1530346387 YXNJDDVWAIUPTA-QFIPXVFZSA-N 446.548 4.552 30 10 IJEE CC(=O)N1CC[C@@H](OC(=O)c2cccc(OCc3ccccc3C#N)c2)c2ccccc21 1531636068 XRTBHDAVRLJESN-RUZDIDTESA-N 426.472 4.792 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 1535141640 NDIXUAMDJJGWHV-UHFFFAOYSA-N 434.927 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1C(F)(F)C12CCC2 1538993832 SJQPYBYYVQUPPE-BBRMVZONSA-N 435.316 4.601 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1Cc1csc(-c2ccco2)n1 1539382548 LRUBCJIPSSVGPY-UHFFFAOYSA-N 447.564 4.644 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(F)(F)C1 1539578872 DIAPWXAJBFESCG-UHFFFAOYSA-N 434.288 4.556 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Cl)s1 1539626067 AVFAOEVHHYCEQX-VQIMIIECSA-N 429.977 4.673 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1539690670 BUKDNDOXWLENMK-RTBURBONSA-N 441.576 4.552 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(F)F)C1 1539744149 CZAZZTFMQZKICQ-SFHVURJKSA-N 443.498 4.674 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CO)CC1)c1ccccc1 1539940601 SWFDXAJYIILZKP-NRFANRHFSA-N 437.975 4.562 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1OC 1540140160 KNNNWEIYKCQXAU-UNMCSNQZSA-N 433.581 4.886 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H]1OC 1540148495 XLOFNUUCFUXADV-UYAOXDASSA-N 428.627 5.000 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 1544586365 XVMUOEMMAPFBQP-HXUWFJFHSA-N 444.572 4.936 30 10 IJEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccs1 1547489306 CBHMMUQGCCUCSZ-OAQYLSRUSA-N 434.613 4.952 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-n2c(C)nnc2S)c1 1558979729 YYSJFUNJMPNDHB-UHFFFAOYSA-N 434.443 4.700 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1-c1ccccc1OC 1559323703 MZXZXCNTHIQPDE-OAHLLOKOSA-N 427.957 4.984 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCC[C@H]3CC(=O)OC)c2C#N)C1 1560056313 FIQWGNWXQVHUPD-IRXDYDNUSA-N 445.629 4.517 30 10 IJEE C=CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)[C@H](C)COC 1563487141 XXEORWCHZNAHLA-XXBNENTESA-N 434.584 4.598 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C(C)(C)C 1569919250 CTNHBWQJRBHJCA-GOSISDBHSA-N 439.364 4.572 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C/C=C\c1ccccc1 1587632389 LJIDWMRLYASWBY-QKQONQEDSA-N 449.599 4.564 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC(F)(F)C1 1587921980 OIWQAHLSQIDEBJ-INIZCTEOSA-N 427.524 4.882 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](CC)Cc2ccc(Br)cc2)c(OC)c1 1587973246 MURDJXDPQREFTH-LJQANCHMSA-N 432.358 4.703 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1588105098 LDWUFTGYIHTKIM-IBGZPJMESA-N 430.405 4.541 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H]1CCO[C@@H](C)C1 1588446093 XWVAJENJWXLKHL-VXKWHMMOSA-N 438.616 4.954 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CCOC)CCC1 1589608320 FIGJAAFSEKJEAQ-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1594013191 CSBBCVZQSKDTCW-HOYKHHGWSA-N 428.552 4.655 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1CC1CCN(Cc2cccs2)CC1 1594980160 ALQKTZTZOXZEKW-UHFFFAOYSA-N 439.604 4.604 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1595115222 GMUHVCXBIIIADP-FYYLOGMGSA-N 448.615 4.713 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@H](C)[C@H]1C 1595901133 PZVXMKJJRLVBSJ-RTBURBONSA-N 432.659 4.723 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1596613630 YKYJICUOLWJTOV-QHCPKHFHSA-N 426.582 4.689 30 10 IJEE C#C[C@H](NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1)c1ccc(Cl)cc1F 1597001296 BRZOPPAYRZRVKX-FQEVSTJZSA-N 447.959 4.673 30 10 IJEE C=C1CCC(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OCC)cc3)c2)CC1 1624314003 XHEMUHWYVHGURU-UHFFFAOYSA-N 444.553 4.580 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CSc2ccccc2O1 1625539517 YFYQDBKGJASKJG-AWEZNQCLSA-N 435.343 4.689 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(-c4ccccc4)c(C)c3)ccc2c1=O 1625804250 WEJJDDGIMXHZEJ-UHFFFAOYSA-N 441.556 4.777 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3Cc4ccccc4N(C(=O)OC(C)(C)C)C3)cc21 1627746234 CYVMGULUMVPHDQ-FQEVSTJZSA-N 447.539 4.710 30 10 IJEE CCc1ccc([C@@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c2cccc(F)c2)cc1 1628773303 DDBYFTJIJDQYAU-UKILVPOCSA-N 444.510 4.607 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1ccccc1 1632271495 FWXULEOQDMTGQE-QFIPXVFZSA-N 440.590 4.664 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)C1 1632373786 RPOYBSADYHRNPH-IBGZPJMESA-N 431.536 4.985 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Cl)cc(Br)c2O)c(OC)c1 1637654253 NHLLAKFWCFWKQC-UHFFFAOYSA-N 426.694 4.563 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc4[nH]cc(I)c4c3)cc21 1639693778 MMTXEDGJIJPERJ-UHFFFAOYSA-N 442.260 4.561 30 10 IJEE C=CC1(CC(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1644531182 KONHJDXABSVGAG-UHFFFAOYSA-N 441.494 4.519 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 1651872006 MLKMRDAJKXINJV-UHFFFAOYSA-N 432.904 4.865 30 10 IJEE CCCN(Cc1ccc(Br)cc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 1652721099 HWRAGHDTHCGTQA-UHFFFAOYSA-N 436.394 4.932 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 1653764289 BBFRNZPAPCAOFJ-GHTZIAJQSA-N 430.335 4.514 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)CN(C(C)=O)C3)cc1OCC 1655748207 IEPZHPQXUHYTIF-UHFFFAOYSA-N 445.357 4.887 30 10 IJEE C=CCn1c(SCCN2C[C@@H](C)C[C@H](C)C2)nc2sc3c(c2c1=O)CCCCC3 1655979739 VBKMUXSYXZQKLS-IRXDYDNUSA-N 431.671 4.983 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 1659587871 CRNMTIPZQSMIOR-UHFFFAOYSA-N 449.576 4.775 30 10 IJEE O=S(=O)(CCc1cccc(F)c1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 1663329860 AOVLVPXLVPWJTB-HNNXBMFYSA-N 429.357 4.610 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 1668247347 BMIUEIZAZNUOGF-NRFANRHFSA-N 446.450 4.654 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)cc1 1675759894 DSBHPZMPHMXIEN-UHFFFAOYSA-N 425.312 4.905 30 10 IJEE N#CC1(CNC(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)CCOCC1 1680451566 DWTOTWCIYGWTCR-UHFFFAOYSA-N 434.323 4.905 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 1681941953 GMPZFODTVPYXCO-VRUMLPLGSA-N 441.616 4.900 30 10 IJEE C#C[C@H](NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccc(F)cc1 1682343994 ABEKTKKKEMJFAR-SFHVURJKSA-N 426.289 4.512 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)c1ccc(Cl)cc1F 1682368040 VITULTILHCSLTD-IAGOWNOFSA-N 437.696 4.739 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1689920723 IEFWYWHDGNEKJP-QGZVFWFLSA-N 436.478 4.545 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690001383 JNWDNQDYPIOPMY-FPOVZHCZSA-N 443.620 4.522 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1690058903 DMEYCVQYICCTMO-UGKGYDQZSA-N 440.563 4.899 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(C)CCC2)CC1 1690374367 SXZVYLWJOYMWOR-UHFFFAOYSA-N 429.609 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1690436450 RYYMTZRAFCXROD-JOCHJYFZSA-N 435.547 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(C(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C 1690439743 OGJMXHDTWWVQSX-UHFFFAOYSA-N 429.653 4.843 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1690533747 USUSISZNOITHCJ-NRFANRHFSA-N 444.023 4.930 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1Cc1nccc(C(F)F)n1)C1CC1 1690539692 JEGDOGAJCVBCRO-UHFFFAOYSA-N 434.853 4.668 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@H]1C(C)C)C1CC1 1690554206 XQHLDIPWOZNOBP-PSWRPDDJSA-N 430.637 4.803 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1Cc1cc(C(C)(C)C)no1 1690565358 HWSXCDMIPPMRNO-UHFFFAOYSA-N 442.567 4.790 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CCNc1ncc(Cl)cc1Cl 1690567701 MBWODBZSADVBEP-UHFFFAOYSA-N 435.334 4.732 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)C(C)C 1690581096 KSNMGHKEKLWTHN-PXDATVDWSA-N 431.669 4.742 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@](C)(O)CC)C1 1690687593 FELOMWXBZNINMO-OYHNWAKOSA-N 447.004 4.756 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)C1 1690707332 SYXYJDFTDXBNGB-DHIUTWEWSA-N 449.574 4.624 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)CCOCC1 1698359783 FJLVTBHCNNFAFM-OAQYLSRUSA-N 439.629 4.601 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705537485 HKTRZSDGBAIDSM-XLIONFOSSA-N 431.005 4.643 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCn1nc(C)cc1C 1705592962 ZUKIYMCOVQDILJ-UHFFFAOYSA-N 442.611 4.609 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(C)(C)CC)CC1 1705634966 NUTWNHQMCCJHTC-UHFFFAOYSA-N 448.640 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](C)(CC)C1 1705732077 MQACOSOZUOJVLR-LJQANCHMSA-N 439.423 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1705764832 OWGYVTNJZFUGJR-INIZCTEOSA-N 446.420 4.670 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CCCCn2cc(Br)cn2)CC1 1705782493 XWAUUYAHNBOEIV-UHFFFAOYSA-N 447.425 4.778 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(N(CC)CC)CC1 1705811870 MFUNWRPNXYMQHF-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccnc(SC)c1 1705838379 NCTLCWJWSHJFPZ-UHFFFAOYSA-N 448.365 4.634 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N1CCC(C)CC1 1705848229 HHYWLRVEJUZPNX-OAQYLSRUSA-N 439.648 4.897 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)cc1 1705909800 IKSNOOQEYMCHQC-IBGZPJMESA-N 438.494 4.562 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)C1 1706327041 HUSYZRJHKMQZJM-RDPSFJRHSA-N 435.597 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722302188 GTLNOMJPRFLMLU-ZCVJKFOLSA-N 438.616 4.719 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCc1nccs1 1722303715 QUBFDSRKLRWVAB-GOSISDBHSA-N 437.613 4.702 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1722320929 OZTMQDMCHGCCFI-HXUWFJFHSA-N 440.498 4.798 30 10 IJEE C=C(Br)Cn1c(Nc2cnn(C)c2)nnc1-c1cc2c(s1)CCCCC2 1722488328 DNULYMJMOSMBLD-UHFFFAOYSA-N 433.379 4.661 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(C)(C)C)C1 1722504310 YYLQLWKRCMGAIX-MSYCTHLASA-N 442.579 4.850 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccnc(SC)c2)CC1 1722563914 CCSPSDAMTGCUQC-KRWDZBQOSA-N 439.560 4.879 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CCOCC2)C1 1722606074 CSVPVOHWNQVDAY-UHFFFAOYSA-N 430.980 4.874 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722616397 ROCIJNACIFBSER-INIZCTEOSA-N 441.929 4.561 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC2(CCC2)C1 1722620973 LFFKOZCJUGIAKR-UHFFFAOYSA-N 431.378 4.966 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1722664891 BOCJVJGPONBTEI-PTLVVNQVSA-N 442.991 4.881 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1nc(C(F)(F)F)cs1 1722670662 TWUJCBUJKLNTDI-UHFFFAOYSA-N 433.503 4.879 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1722737491 ISCVEFWCTQKMHA-MRXNPFEDSA-N 441.551 4.970 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740582437 OMSYWTWHRJBOGR-UHFFFAOYSA-N 449.555 4.598 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CC)s1 1740676669 KBVDAKLSEJLHFS-IBGZPJMESA-N 438.572 4.623 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN(C(C)C)C1 1740676847 AOCMKPZWTUOVJV-JOCHJYFZSA-N 449.574 4.746 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)CC1CC(F)(F)C1 1740748246 IWDFEDNKZQGLPD-UHFFFAOYSA-N 441.320 4.556 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)C1CCC(C)CC1 1740764087 ULANXCNPULBXGI-WTHKRRKVSA-N 438.616 4.896 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)CN2CCCC2)CC1 1740836340 ITGYBSRKYJZZPK-UHFFFAOYSA-N 429.012 4.518 30 10 IJEE C=CC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC[C@H](OC)C(F)(F)F)CC1 1740840942 NXZGJVNIRIEHJK-FQEVSTJZSA-N 447.505 4.720 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740856022 OCQMKPCGIPJHCQ-PZJWPPBQSA-N 428.625 4.703 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC(C)(C)C1 1740859713 PVAWWFYHFMRNQR-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1CCc2ccccc21 1740892450 HIGTZSPEUPAHDD-QGZVFWFLSA-N 440.389 4.788 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1740901065 BRLNWPWKRUKLFM-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC[C@H](C)C1)C1CC1 1740910916 ULAXCCCYCFDCEJ-OALUTQOASA-N 443.636 4.984 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CCc1nnc(C)s1)C1CC1 1740913295 IWLMBDBYNFTBJX-UHFFFAOYSA-N 447.033 4.781 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1C[C@H]1C 1740939328 UWOPIPYJWCUKBF-KGLIPLIRSA-N 439.785 4.656 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)c1ccccc1 1740947393 XQDISGDKBDJCQZ-FPOVZHCZSA-N 439.604 4.819 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C(C)C)CC2)C1 1740971926 AKMUDZFMBRTSTP-OALUTQOASA-N 428.552 4.775 30 10 IJEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CCCS1 1742009996 HXFYLAXCYJWLPZ-YLJYHZDGSA-N 435.519 4.881 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N)OC 1743518370 DFLYRQGEZLVPTR-BFHYXJOUSA-N 440.411 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1748641500 HYVCUOZHPLATJZ-LXGFNABISA-N 428.964 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC[C@@H]1CCCCO1 1748833583 VWWUUBDIACKMTM-FPOVZHCZSA-N 436.625 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(Cc2ccc(F)cc2)CC1 1748876733 RDBRUDSBCQGSPD-UHFFFAOYSA-N 447.945 4.618 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1748938771 CCOABXDYLQWKHD-BWKNWUBXSA-N 439.673 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C)CC1 1749135281 DHOWJFMDTJCIIV-MSYCTHLASA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1749219988 ZNYOQKONLUFPBP-PMACEKPBSA-N 442.604 4.816 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C)OC)CC1 1749293210 FOFDAIRSOMJZEY-CYBMUJFWSA-N 425.758 4.552 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C(=O)OC)CC1 1749391646 ZARPJLLQJUNQCM-QGZVFWFLSA-N 442.629 4.877 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1c[nH]c2c(C)cccc12 1749466886 BCXQYYADSNRQGD-UHFFFAOYSA-N 439.361 4.690 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCOC(C)C)C1 1749696924 YLKMMQVOFSFVEU-HXUWFJFHSA-N 444.645 4.872 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2OC(F)(F)F)C1 1749700914 OABDWVLRWMZLKD-QGZVFWFLSA-N 448.445 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2Cc2cc(C(CC)CC)no2)C1 1749703910 RIEIJRUHIAOZSB-HXUWFJFHSA-N 435.572 4.975 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)(C)C)CC1 1749745755 GUZANIWRJNRFMN-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(OCC)CCCC1 1760210678 SRWOZCCATRHORX-UHFFFAOYSA-N 443.016 4.646 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(C)s1 1760214806 CFELXDPQTSOECE-UHFFFAOYSA-N 448.592 4.622 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760240409 QDKAXKMTOFMTRP-NBGIEHNGSA-N 425.596 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@@H](CC)C1 1760325504 QDMHPUCLPFQOKM-VCOUNFBDSA-N 447.048 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760328450 VXFNYWQVBKRMIN-AWWSKVOZSA-N 426.630 4.952 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCSC(C)C)CC1 1760406231 XJUBOTIAYOPRNW-IBGZPJMESA-N 449.665 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760409522 XOUDDTFVQHOOTE-OAQYLSRUSA-N 429.572 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCCC2(CCOCC2)C1 1760414987 KPLHKWNETYJGJG-UHFFFAOYSA-N 438.616 4.899 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCC[C@@H]1C 1760419525 UPOZUUFBTUIHSF-SMTRIPRVSA-N 432.653 4.930 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(C)C)C1)c1ccccc1 1760420677 TZHDJIDTUKPMLE-SBFWRKJZSA-N 438.616 4.844 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)C1CCCCC1 1760456868 ZAFGJIIYXBYAAP-CJFMBICVSA-N 426.605 4.988 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccnc(N2CCCCC2)c1 1760466962 PBUWEPSJBIGNSF-UHFFFAOYSA-N 446.599 4.530 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CC1(OC)CCC(C)CC1 1760485277 XYPDKWMVTPXOFE-XWGIXXMPSA-N 442.579 4.709 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)[C@H]1C)C(C)C 1760488600 ZTPIWGHYESRNRM-QKNQBKEWSA-N 443.039 4.927 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)C(C)C)C1 1760550057 RDNLQUFFJXYHRQ-NRFANRHFSA-N 426.605 4.937 30 10 IJEE Cc1nc(Cn2c(CC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)sc1C 1761603715 DPLANTWALZVUEH-UHFFFAOYSA-N 432.597 4.764 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC(F)(F)C2)CCO1 1765245501 ACIAURGFJSCKTL-UYAOXDASSA-N 429.515 4.648 30 10 IJEE COCCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@](F)(C#N)C1 1770966867 DLWCROGEVKSSLM-HJPURHCSSA-N 445.608 4.636 30 10 IJEE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNc1ccccc1)CCC2 1772750717 IOVQBOGPUPBVTJ-UHFFFAOYSA-N 428.536 4.703 30 10 IJEE COc1ccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc([N+](=O)[O-])cc2)cc1 1859411108 PAOGODLRIITOSA-UHFFFAOYSA-N 439.431 4.580 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(=O)Nc1cccc(C#N)c1 1860745328 IQSLOCROZXBHGI-UHFFFAOYSA-N 447.516 4.658 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CSC(C)C 1860925919 PGGSZJHTBWUVJP-JOCHJYFZSA-N 436.662 4.818 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)COc1ccc(C)cc1 1861791787 HZINRQZRDMYGEZ-DEOSSOPVSA-N 442.575 4.717 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccc(O)cc2)cc1 1862390488 FHDFVPQEGGMNNR-HSZRJFAPSA-N 437.536 4.740 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(O)c(OCC)c1 1862397400 LJYATWHFLMMCEW-HSZRJFAPSA-N 435.520 4.898 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc2c(c1)CCCN2C 1862422008 USPCNXGHAOLWOU-PEBXRYMYSA-N 440.490 4.724 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1O 1862436231 OGQMFIOGUWJXEO-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(F)c2)c1 1862590723 OGJJHBRWJITZLV-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(Cl)cccc1Cl 1862759880 ACTUNJWSZXBWEK-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)c1 1863146156 OKOUZDHOFHGSEN-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1863269843 VXLBSCJGGINLKQ-UHFFFAOYSA-N 441.918 4.955 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1863329471 FGIXNSIJEWPNAM-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(F)c(C)c2)C1=O 1863790341 AVFOANUOMZSRCO-UHFFFAOYSA-N 432.580 4.981 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN([C@@H](C)c3cccs3)CC2)nc(C(C)(C)C)n1 1869192882 WHLVJGHLQJFGSN-IBGZPJMESA-N 425.646 4.897 30 10 IJEE CCCCCCCOc1cn(CCCCCO)c(CN2CCc3ccccc3C2)cc1=O 1870412049 XDRFZDRXGJRLEB-UHFFFAOYSA-N 440.628 4.918 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CN(CC)CCCC 1870595615 PFWIZGXBJCXUBD-UHFFFAOYSA-N 428.573 4.513 30 10 IJEE O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCC[C@H](CO)C1 1871398556 JVMVIVDXWIVITC-CCSWUNFSSA-N 434.319 4.520 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)cc1 1871424344 GIXHXDOWEAGDLR-SNNLMFDCSA-N 429.472 4.568 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871433940 JVQBZUGTJAHOIH-MTJSOVHGSA-N 449.528 4.685 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CC)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576323 OIQZIFKMSAVMJY-UHFFFAOYSA-N 449.987 4.639 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871780897 SXRMUZRSOLBVCQ-OAHLLOKOSA-N 441.380 4.814 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872441249 LUERTGFIGACDFU-JPYJTQIMSA-N 428.598 4.842 30 10 IJEE COc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c(OC)c1 1872781134 PHCSNZIIHQTUCH-LJQANCHMSA-N 436.533 4.872 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 1873444528 QGEXBVMHHXJYQY-UHFFFAOYSA-N 427.460 4.986 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCc1ccccc1)n2CCC 1873572052 PRXXAOIHUKRTKT-UHFFFAOYSA-N 431.584 4.772 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(O)c(OC)c1 1874231100 RUQJLTCWGFQQKX-FSJBWODESA-N 446.960 4.917 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccc(OC)cc2OC)CC1 1874287136 PJWWUZXBYYWWCR-LFVJCYFKSA-N 446.617 4.726 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)c1 1874416067 XFNFIOSVZXAKJU-MFKUBSTISA-N 430.533 4.763 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccncc1 1874420911 KRRTYTRHOREALJ-ZVHZXABRSA-N 448.577 4.577 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1ccc(Cl)cc1 1874473496 HGWINDVHUVMFGC-BUVRLJJBSA-N 442.972 4.860 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1cccc(OCC)c1 1874503709 WHYCTZZLXXEPOD-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2ccc(C)cc2)nnc1C(C)C 1874508906 BDFKBHHGIGDTEP-ZMOGYAJESA-N 440.569 4.910 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc(OC)c1O 1874520565 KJXUOWHBQGRQCG-FOKLQQMPSA-N 444.944 4.706 30 10 IJEE COc1ccc(OCc2nnc(S)n2/N=C/c2ccccc2Cl)c(C(C)(C)C)c1 1874570879 MVPJQIFJZFMGBH-FSJBWODESA-N 430.961 4.988 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(Cl)cc1 1874650460 IGGGRIPFOUNQTD-DEOSSOPVSA-N 449.982 4.682 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc21 1890684569 GIDFUBTUFFEGCW-AVRDEDQJSA-N 445.563 4.865 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H]1c1ccc(C#N)cc1 1891302745 BAEBSRQSBCTTIN-UXHICEINSA-N 448.375 4.897 30 10 IJEE CCN[C@H](C#Cc1cccs1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1900756762 FZJHRPKMVCZPMU-STZQEDGTSA-N 428.598 4.576 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC1CCC1 1901534030 FLGRFYPIJCLRTK-RUZDIDTESA-N 445.563 4.846 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)Cc2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)CO1 1915607339 QPPGGKIRZMVANV-QFIPXVFZSA-N 439.380 4.695 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 1922106485 DEYQWHCWMLGSBG-DHLKQENFSA-N 432.605 4.544 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1cccc(F)c1)C2 1950026040 LOYHRWABUMAVIB-FMKFIRIRSA-N 431.508 4.859 30 10 IJEE O=C(O)CC[C@@H](CC1(CS)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21 1952154576 BNARRWBJFVSJOW-INIZCTEOSA-N 425.550 4.859 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](COc1ncnc(Cl)c1C#N)C1CC1 1986473184 DOAVPIIWDPPQSA-SFHVURJKSA-N 428.920 4.596 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1999884578 URYDYPXMKOXSQZ-WZONZLPQSA-N 431.533 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2001296372 WVOICUZCSBXYAS-YADHBBJMSA-N 432.605 4.542 30 10 IJEE CC#CCCCC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2019510871 USPQSVSNIPVMQO-DEOSSOPVSA-N 429.649 4.965 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)s2)cc1 2033813064 FVCSTMPLXUSLPF-LJQANCHMSA-N 425.531 4.905 30 10 IJEE Cc1ccc([C@@H](n2nc(C(F)(F)F)c(/C=N/O)c2Br)C2(C)CC2)c(O)c1 2079040741 SICBXFATDYDCTH-UCBNSMMZSA-N 432.240 4.876 30 10 IJEE CCCOc1ccc([C@H](C)n2nc(C(F)F)c(C=NO)c2I)cc1 2080097297 XXTZTYNENBEAKM-JTQLQIEISA-N 449.239 4.632 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(c2ccc(C#N)c(Br)c2F)C1 2118157769 ZZRHHPAAWWVKNL-CHWSQXEVSA-N 426.330 4.542 30 10 IJEE C=CCn1ncc(Nc2ccc(NC(=O)OC(C)(C)C)c(C)c2)c(Br)c1=O 2162402887 RFDAQONFRJUHRK-UHFFFAOYSA-N 435.322 4.591 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)c(Br)c2F)C12CCC2 2175032618 UZQANIYDVYULPL-HIFRSBDPSA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 2181144763 XSMQCMUBWXDVLS-UHFFFAOYSA-N 430.302 4.701 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190480011 XZMZQHLXQGKOKP-ADXHGGABSA-N 447.428 4.802 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(c3cccc(Br)c3C#N)C1)C2 2199683127 UFTNKIUQZBFWSC-VFNWGFHPSA-N 434.378 4.842 30 10 IJEE Cc1ccc(CN2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2234726574 XXAPQFGBOIHKSL-PLQXJYEYSA-N 446.444 4.533 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235733789 UYEIEIWJPUPHDU-AEFFLSMTSA-N 435.406 4.814 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)CC(F)F)cc(C)c1B1OC(C)(C)C(C)(C)O1 2255867815 HCQAKTLAUGTYJK-UHFFFAOYSA-N 429.316 4.510 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCCCN(C(=O)OC(C)(C)C)CC1 2261830373 WSGDHAQGIYNIIL-RUZDIDTESA-N 447.572 4.801 30 10 IJEE CC1(C)OB(C2CC(NC(=O)c3cc(Br)c(F)cc3Cl)C2)OC1(C)C 2270413740 WXEWETVBNVVEGE-UHFFFAOYSA-N 432.526 4.596 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)C#Cc2cccc(Br)c2)C1 2296223989 GENLRQHQKORAPI-SFHVURJKSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)C#Cc2cccc(Br)c2)C12CCC2 2296224639 MICMOORAEWGHOM-LPHOPBHVSA-N 432.358 4.843 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(CC(=O)C#Cc1ccc(Br)cc1)C(F)(F)F 2296278388 CYVZXAZHVTZSIH-GOSISDBHSA-N 448.279 4.853 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296300628 KTEJLRWWIXVBIS-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@@H](N)C#Cc3ccc(Br)cc3)(CC1)CC2 2296305237 QUUIBRGSJDBVTL-XTWGIRIWSA-N 433.390 4.746 30 10 IJEE CCCCNC(=S)NN=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2318776806 ZWJLUSSWVFIMHF-UHFFFAOYSA-N 428.989 4.972 30 10 IJEE COc1ccc2ccccc2c1C=Nn1cnnc1SCC(=O)Nc1cc(C)ccc1C 2321215881 LFMBFMDVWKQSQN-UHFFFAOYSA-N 445.548 4.670 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1cccn1C 2321359104 DGRRENYDUIJEMW-UHFFFAOYSA-N 438.384 4.929 30 10 IJEE CCN1COc2cc(C)c3c(c2C1)OC(=Cc1cc(Br)ccc1OC)C3=O 2322143630 VREJRRDUWWLSIC-UHFFFAOYSA-N 430.298 4.554 30 10 IJEE CN(C)c1ccc(C=NNc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)cc1 2322617351 FZOLEDFENOHTQF-UHFFFAOYSA-N 436.730 4.705 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1OC 2323097674 IVJJKRCSIKRIPE-UHFFFAOYSA-N 434.444 4.760 30 10 IJEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccnc2)C3=O)cc1OC 2323097736 FZROPTGUJMJLCO-UHFFFAOYSA-N 445.471 4.562 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2323466259 JPPCGEIXCUTBHE-QFQXNSOFSA-N 442.600 4.993 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NC3CCCCC3)c(OC)c2)cc1C 2323580208 KKONZWDXIXZQQX-UHFFFAOYSA-N 437.536 4.736 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc(O)c2CN1CCCc2ccccc21 2324023749 UFHSRBQPLZJNMA-UHFFFAOYSA-N 428.444 4.869 30 10 IJEE COc1cccc(C=C2Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c1OC 2324054902 GAZXWKRZHYMZKP-HZPDHXFCSA-N 437.536 4.812 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 2324418822 YZCMKUOZNMFRNP-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)c(Cl)c1)C2=O 2325649507 BTHDCYFUKYPBOL-UHFFFAOYSA-N 437.275 4.568 30 10 IJEE C=CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)cc1O 2326141913 CCPVXUWWHDRPKZ-UHFFFAOYSA-N 444.944 4.699 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1C 2326187914 SVAPRHCJIDTFKW-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1N=Cc1ccc(F)cc1F 2326458256 FGBZCRSBHWUEBN-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@]2(C)NC(=O)OC(C)(C)C 2327757871 APOLJCRIHAHTEZ-SYUUKGODSA-N 442.600 4.992 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)NCCC)n2N=Cc2ccncc2)CC1 2328140572 NUQPTOXICBGGTQ-UHFFFAOYSA-N 442.633 4.638 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(OC)cc1OC 2328559367 CGNJZNHPRKJLIK-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)cc1 2328567674 CZNKLYKMASQPEE-UHFFFAOYSA-N 435.528 4.909 30 10 IJEE OCCCSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc2ccccc12 2328758351 AOVMVGWHWMMXFN-UHFFFAOYSA-N 446.576 4.800 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328814047 HDGQOSYUTJOAFT-UHFFFAOYSA-N 431.905 4.640 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCCCO)cc1 2329210399 ZLJGQMHGRDRHCD-UHFFFAOYSA-N 438.597 4.554 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccncc2)c1 2330548660 PGPBEYWRPAGPFW-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1cccc(F)c1 2331646821 POTJXPUHEFTKCT-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE N#Cc1nnn(Cc2cccc(Cl)c2)c1NC(=O)C=Cc1ccc(Cl)cc1Cl 2332148109 IWUKPRGNIWGEMS-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC(C)=C(CN1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21)B1OC(C)(C)C(C)(C)O1 2340334090 KVSHDDLVJBUDCA-WBJOIXBTSA-N 436.449 4.797 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2ccc(OC)cc2OC)C3=O)cc1 2097209 PBMOLSBZWRBXKQ-WYMPLXKRSA-N 446.455 4.686 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2ccccn2)cc1 5921353 FCYBUWAPKSAWGZ-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)c(OC)c1OC 9495987 OZOMMRWFUZHXDU-NRFANRHFSA-N 433.508 4.720 30 10 IJEE C(=N/n1c(-c2ccc3c(c2)OCCO3)cs/c1=N\Cc1ccccc1)\c1ccccc1 12566034 DRPPUEFNBCZZTQ-CMALBIHKSA-N 427.529 4.971 30 10 IJEE C=CC[C@H]1CC=C[C@H](CCCC)N1C(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 14974418 OSIRGIGTCUUXJJ-PMACEKPBSA-N 448.596 4.570 30 10 IJEE Cc1ccc2nc(CSc3n[nH]c(N/N=C/c4cc(Cl)cc(Cl)c4O)n3)[nH]c2c1 21079706 WIJOKQBPEJFMOL-QPSGOUHRSA-N 448.339 4.740 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(OC)c2OCC)cc1 21233652 YPKNOYACNGDMFP-RXVVDRJESA-N 449.547 4.887 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nc2sc(C)c(C)c2c1=O 21845298 FCPPIRQHGFEOHX-OAHLLOKOSA-N 445.635 4.778 30 10 IJEE COc1cccc(C(=O)Nc2cccc(N3CCCN(Cc4ccccc4C#N)C3=O)c2)c1 34735409 JYBFOXAYTAEOLV-UHFFFAOYSA-N 440.503 4.651 30 10 IJEE C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 36304827 UCWGFHUOLCDQOF-XMMPIXPASA-N 447.579 4.809 30 10 IJEE Cc1c(C(=O)c2oc3ccccc3c2C)c(O)n(Cc2ccccc2Cl)c(=O)c1C#N 38626082 XMEHNMWYBDAMRE-UHFFFAOYSA-N 432.863 4.721 30 10 IJEE Cc1csc(/N=C2/S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N2C)n1 39865178 LDBXQRKSYLYAQQ-IQLOBFSESA-N 426.479 4.854 30 10 IJEE O=S(=O)(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc2ccccc2c1 59387279 PLHZNKBPOQKVDV-OEAKJJBVSA-N 448.529 4.773 30 10 IJEE C=CCn1c(SCC(=O)NC2C3CC4CC(C3)CC2C4)nnc1-c1cccc(Cl)c1 59794684 IPGKVGVRIQOWBE-UHFFFAOYSA-N 443.016 4.818 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 102524611 YPGUQHRFLCYIHA-VFJWVMJUSA-N 446.890 4.925 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929612 LUWVNXTZYWNIQF-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc1[N+](=O)[O-] 169940947 HCIWOURNBQJXLA-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1sccc1C 170107328 PXHZXIJDBXWYAI-SFHVURJKSA-N 432.973 4.630 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1sccc1C 170107884 LZCWWBFFLJNYFK-HXUWFJFHSA-N 437.492 4.983 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)cc1C 170130495 LZGIGFYPKSCWEV-JOCHJYFZSA-N 449.528 4.858 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)c1 170133001 SKGXJVZDTQNUGT-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccs2)cc1 170156831 UQFLAXMGPBCNEG-JOCHJYFZSA-N 447.512 4.865 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170171475 NFNWDMLJNQDNRG-NRFANRHFSA-N 446.846 4.970 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)c1 170175027 PEBDGLLABHWMEJ-QHCPKHFHSA-N 444.487 4.666 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1F 170251294 BYJVKQUMKPESOY-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc(O)c2)c1 170261899 RMNZPWOTWJAJRN-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1ccc(F)cc1 170271062 JIMHFNIDXINUEG-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccco2)c1 170297073 OXPMIKYTQPPNTA-OAQYLSRUSA-N 432.432 4.583 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2sccc2C)c(C)c1 170316480 WCNCCTDBZCWQTH-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170338115 PFMGGAGQZFQGKO-FQEVSTJZSA-N 440.471 4.875 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2sccc2C)cc1Cl 170405815 NTBMLGGBNWZHCU-GOSISDBHSA-N 440.908 4.896 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)c1 170410615 CJHHYMZSGPSSAR-XMMPIXPASA-N 443.499 4.872 30 10 IJEE Cc1nc(COc2ccc(/C=C\C(=O)N[C@@H](C#N)c3ccc(F)cc3F)cc2)cs1 208413676 YODOZZKTVDYNQU-UNBRIUBXSA-N 425.460 4.703 30 10 IJEE CCOc1cc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)ccc1OC 252634802 WQZHSECHRWWCDY-KWKLDLJFSA-N 440.521 4.504 30 10 IJEE O=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1ccc(Br)cc1 254398884 QBEJLGLDYKAEEW-UHFFFAOYSA-N 434.293 4.620 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(Cl)c1F 407157297 LMTLUSQNQLEYJV-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE C=CCC[C@@H](NC(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccccc1 435743516 AKOMRHPMUNAPOO-HXUWFJFHSA-N 442.441 4.653 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 440827447 QIZCDQJENFMQHQ-YOEHRIQHSA-N 447.329 4.691 30 10 IJEE N#Cc1ccc(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(C(F)(F)F)c1 480094897 LZNPIFSNIMTLML-INIZCTEOSA-N 431.462 4.813 30 10 IJEE O=C(NCCN(CCC(F)(F)F)C(=O)C1CCC(F)(F)CC1)C1CCC(F)(F)CC1 480785969 LCZAPQRWNNRPJC-UHFFFAOYSA-N 448.423 4.535 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 508956795 UBAKPXYRLVCHCT-MUUNZHRXSA-N 439.050 4.537 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 524114428 XNFFNCCYHOVVFQ-UHFFFAOYSA-N 428.464 4.624 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)c1OC 526489122 GACJDPRZHPKJCR-JOCHJYFZSA-N 430.435 4.772 30 10 IJEE COc1ccc(-n2c(Sc3nc(C)cc(C#N)n3)nnc2-c2ccccc2Cl)cc1 552925366 MCJCPLOTHNCSNS-UHFFFAOYSA-N 434.912 4.718 30 10 IJEE N#Cc1ccc(N2CCC(c3nc(Cc4ccc(Br)s4)no3)CC2)c(F)c1 564227041 AVBJDXWNECTOAS-UHFFFAOYSA-N 447.333 4.879 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(c3cccc(F)c3F)CC2)CC1 567556067 BRBOWEUGFVKOBD-UHFFFAOYSA-N 440.494 4.511 30 10 IJEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 573341302 QPKDRTPPKIVXJI-IBGZPJMESA-N 443.473 4.821 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1cc2c(cc1Cl)OCCO2 608929944 DTGBOIAGJYKGOR-CQSZACIVSA-N 432.929 4.547 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2ccc(C#N)cc2F)cc1 609239033 DYPFATRSHBVNSA-UHFFFAOYSA-N 426.495 4.908 30 10 IJEE Cc1ccc(C#N)cc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687733944 OVSOBLQCOHGSNG-XMMPIXPASA-N 426.472 4.921 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 698373671 LXCHLJRTXQXGFN-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE C=CCC1([C@@H](NC)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 722937736 JVCJGWMAQROBBM-INIZCTEOSA-N 431.321 4.801 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)c(F)c1 733202635 UNVVQBYDWDTISW-OAQYLSRUSA-N 437.540 4.735 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CSCc1ccc(Br)cc1 735339947 VXCSPGVSRSWGCJ-UHFFFAOYSA-N 440.746 4.981 30 10 IJEE COc1ccccc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1cccc(O)c1Cl 735664263 BJDFDPRQMYWEPY-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE N#Cc1ccc(COC(=O)C2CCN(c3nc4ccccc4s3)CC2)c(OC(F)F)c1 752548753 YHUYTJCONYBLAN-UHFFFAOYSA-N 443.475 4.729 30 10 IJEE COc1ccc([C@@H](NC(=O)CSCc2cc(Cl)ccc2OCC#N)C(C)C)cc1 773440721 NKOSRHCYUZSRCV-QFIPXVFZSA-N 432.973 4.998 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C)ccc1OCc1ccccc1)c1ccc(Cl)cc1 810469378 BFSYHURKJRSPKK-OAQYLSRUSA-N 432.907 4.657 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(F)cc1 812877724 FSGUFLGSCIWEQM-HXUWFJFHSA-N 434.433 4.566 30 10 IJEE O=c1cc(C(F)(F)C(F)(F)C(F)(F)F)nc(O)n1-c1cccc(Cl)c1Cl 1088690853 BPWANEQLJQUVKE-UHFFFAOYSA-N 425.087 4.534 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(CC#N)cc1)c1ccc2c(c1)OCO2 1124212020 AVMCXDRQGHFYCC-UHFFFAOYSA-N 426.472 4.893 30 10 IJEE COc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1125464786 AHQFFPVLXGOICB-QVKFZJNVSA-N 443.906 4.686 30 10 IJEE C=C[C@@H](COC)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1128347992 WJWVZTIRNYYKGW-KRWDZBQOSA-N 427.342 4.847 30 10 IJEE C#C[C@H](NC(=O)c1cccc2nc(O)n(CC(C)(C)C)c12)c1ccc(Br)cc1 1129611270 WYEMSPKZYKYCOV-KRWDZBQOSA-N 440.341 4.655 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 1130825199 ZPBAKDIFZYQYKX-NRFANRHFSA-N 448.346 4.917 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)s1 1135517201 GUKFMRAVVZWDKN-LBPRGKRZSA-N 437.787 4.505 30 10 IJEE N#Cc1c[nH]c(C(=O)NC[C@@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)c1 1136248990 HANMTQVHAYRCEP-IBGZPJMESA-N 445.375 4.784 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CSC3CCCC3)c2)c1 1136853261 FJNCUOQEIWGBJI-UHFFFAOYSA-N 427.591 4.912 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 1138708731 PIEJZPROIAVLTJ-UHFFFAOYSA-N 437.490 4.810 30 10 IJEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)CCCC1 1140633987 RGNYVHGJTLRHKC-UHFFFAOYSA-N 426.582 4.971 30 10 IJEE CC(C)(C)OC(=O)NCC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1C#N 1141818803 WKDYWSWXGAZFBZ-WUUXGELPSA-N 434.378 4.588 30 10 IJEE C[C@]1(C#N)CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1152085268 FEHBIFMXVYAJHD-PZJWPPBQSA-N 431.305 4.861 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nc3ccncc3[nH]2)cc1 1158993273 KNPHIMGKPVWUCI-QGZVFWFLSA-N 441.919 4.599 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nnc([C@H](CC)c4ccccc4)s3)n[nH]2)c1C 1160553144 JCLXIZUIJUUQCP-QGZVFWFLSA-N 447.568 4.722 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1 1166517750 FXQPHDRDJVLSDJ-WZONZLPQSA-N 442.581 4.751 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 1199047329 AHVJHUQUYTTWNE-ISKFKSNPSA-N 432.568 4.864 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2ncco2)cc1 1199058753 IURYSDDLJGQISU-QFIPXVFZSA-N 430.508 4.594 30 10 IJEE CC(C)(C)N1CC[C@@H](NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1=O 1219156879 FPISXSWNBROGMK-GOSISDBHSA-N 442.972 4.884 30 10 IJEE Cc1cccc(Oc2ccccc2CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 1221835911 FRIFTIVBVYAWFZ-DEOSSOPVSA-N 440.547 4.707 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(C)cc2OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1266101734 PTLYOHKNPBNIIP-VWLOTQADSA-N 428.573 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCCc1cccc(C)n1 1286281743 KXPXAYMZQSPZOJ-KRWDZBQOSA-N 438.373 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCCC(C)(C)C 1286302961 WFPHYIRMCMZEAD-MRXNPFEDSA-N 433.394 4.904 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1286368358 SGWBBTSKTPRMFT-KRWDZBQOSA-N 437.828 4.684 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C/C=C\c1ccccc1 1286459616 DZJWIGDADKYDLZ-WUQYLLKWSA-N 446.620 4.931 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@@H]1CSCCS1 1286460848 KPZPYVSVTFBNGO-OAQYLSRUSA-N 444.645 4.638 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)[C@H](C)CC 1286516938 ATBNGZJBBBWBBS-JSVJYBRWSA-N 440.657 4.921 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1286534722 CNUNEFHEQBITKX-CXAGYDPISA-N 439.785 4.932 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)CCC 1286541712 CCLJFXDNYJKSDI-HNNXBMFYSA-N 432.366 4.510 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(CC)C1 1286554634 VBKYWYYKSKEXKK-XERREHJYSA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1286579662 QMRUDCZACBVPIV-QHCPKHFHSA-N 434.588 4.773 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1Cl 1286584640 PGIBVADYGLVNHE-UHFFFAOYSA-N 434.769 4.912 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccs1 1286592931 CJHGFNGSRZYDID-KRWDZBQOSA-N 431.606 4.667 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286601782 YMHSYHIDBYGDHW-DNQXCXABSA-N 438.616 4.666 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@](C)(OC)C1CC1 1286753907 MDXZWFDJQHEADT-NRFANRHFSA-N 431.378 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1CCC1CCN(CC(F)(F)F)CC1 1286757520 PYPJTXTVKGFPKQ-UHFFFAOYSA-N 425.543 4.779 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccccc1 1286762993 AJHBQCJATQFYMN-RUZDIDTESA-N 432.524 4.582 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1CC1(SC)CCOCC1 1286763799 URVZWQJHXVPZGC-UHFFFAOYSA-N 438.597 4.685 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccco2)C1 1286799657 YPBOMBWVUURPFQ-JOCHJYFZSA-N 436.556 4.651 30 10 IJEE C=CC[C@@]1(C(=O)NCC(F)(F)c2ccc(F)cc2F)CCCN1C(=O)OC(C)(C)C 1288583493 BPOVRZVGGYMKFS-FQEVSTJZSA-N 430.442 4.519 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 1291928719 CXIOVFTWOMRFIU-KRWDZBQOSA-N 447.919 4.815 30 10 IJEE C=CC1(CC(=O)N(CCc2ccccc2F)C2CCCC2)CN(C(=O)OC(C)(C)C)C1 1292281760 NMIOMHBDAGKHGT-UHFFFAOYSA-N 430.564 4.953 30 10 IJEE C=CCc1cc(CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc(OC)c1OC 1292313304 RZQFGBWMAQOUCS-UHFFFAOYSA-N 446.547 4.511 30 10 IJEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1 1293808394 FKIYNHPQQUEUEN-VWLOTQADSA-N 445.523 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCN(CC)C(=O)OC(C)(C)C 1300275261 SBEAJAIBHFNLCF-TZIWHRDSSA-N 439.604 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCS1 1300275999 DSRYXWYHFVSGLE-BFUOFWGJSA-N 437.382 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)c(C)c1 1300283230 SRPDWTZAUGYIMP-ZDUSSCGKSA-N 433.350 4.723 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(C(F)(F)F)CC1 1300344586 DRZXQQYKUUWPRJ-UHFFFAOYSA-N 442.283 4.538 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC1(CCOCC)CCCC1 1300613618 LMWBXSNUDLLUGI-UHFFFAOYSA-N 431.584 4.940 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1300741510 YNHROPOQZYHOKF-JTSKRJEESA-N 444.004 4.568 30 10 IJEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1300743102 YNSXXYDXTNIKRZ-FQEVSTJZSA-N 433.606 4.758 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1ccc(N2CCCCC2)nc1 1300917428 DUDRGKCXGFBSRH-UHFFFAOYSA-N 448.590 4.844 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1300972784 PVWDNHDTSJUYTB-ROUUACIJSA-N 448.995 4.668 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1301120110 HQQBSJUORYWPKY-ZEQRLZLVSA-N 437.632 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301158772 OUASCFKMLSTRAV-IBGZPJMESA-N 441.645 4.538 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301189858 HYUIVVSKOZWBTE-SFHVURJKSA-N 445.633 4.732 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](COC)C1 1301207326 UCVICIBRVKKGDA-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CC1(SC)CC1)C1CC1 1301331857 XAZXDFTWAAKMIH-UHFFFAOYSA-N 449.418 4.670 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOC(C)(C)C 1301414658 IBIAGDBFGCYBIE-KRWDZBQOSA-N 432.634 4.585 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-c3ccsc3)nc2)C1 1301556872 KCEBINYDYVIDKA-FQEVSTJZSA-N 437.613 4.820 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](CC)C1)OC 1306408664 CZRZFVOFYPVEIN-CDNPAEQRSA-N 439.604 4.662 30 10 IJEE C=CCn1c(SC[C@@H]2CC[C@@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CCCC3 1307260508 FDGYVQGRXCMCHO-FZMZJTMJSA-N 430.517 4.725 30 10 IJEE CC(C)N(Cc1cc(Br)ccc1F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1307435552 BSFGNSPZURKSRM-NRFANRHFSA-N 444.348 4.866 30 10 IJEE C=CCC[C@H](NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1309335042 PTGCEJOMAOSZPJ-JMQGSBJISA-N 446.516 4.704 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 1310817780 AKYFXRZLHCTBPS-UHFFFAOYSA-N 446.507 4.775 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccsc2Br)cc1 1315377738 BCXSHNLNYLZHCO-CYBMUJFWSA-N 446.374 4.564 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)COc1cccc2c1OC(C)(C)C2 1352317069 FMUWKWSSPZNTRC-UHFFFAOYSA-N 448.332 4.895 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(I)cc2Cl)cc1 1353952147 GTQUGHIYUZVBJG-UHFFFAOYSA-N 427.669 4.691 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(F)c3occc23)c(C(=O)OCC)c1C 1357817151 LHGMHFSBBKOECQ-UHFFFAOYSA-N 431.441 4.714 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(C)=C(Br)C1 1358914079 IBYVAJTZEJNTTL-UHFFFAOYSA-N 431.353 4.691 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1csc(CC)n1 1358938457 BDTSXPKXQBCYKE-INIZCTEOSA-N 444.004 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccoc1 1359091741 RIVXDIBHYQLDJH-JLMWRMLUSA-N 440.519 4.768 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN(C(C)C)C(C)C)CC1 1359162620 XGYMAUSVDDCMJV-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359180554 JMBCQOORAREPKE-GOSISDBHSA-N 431.625 4.669 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(C)(F)F)C1 1359314144 WUNJOIKMVIYBLX-CRAIPNDOSA-N 440.922 4.898 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC(F)(F)C2)C1 1359316435 OMTNQTOQUWOUTB-ZBFHGGJFSA-N 440.897 4.954 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCCN2CCCC)C1 1359317792 QHFDZCJPFHEAGN-PKTZIBPZSA-N 437.632 4.689 30 10 IJEE C#CCN(C(=O)c1c(C(F)(F)F)coc1C)[C@@H]1CCOc2ccc(Br)cc21 1360556905 HLACQRMZAVVXOB-OAHLLOKOSA-N 442.231 4.969 30 10 IJEE Cc1c(C(=O)Nc2ncc3c(c2C#N)COCC3)sc2ccc(Br)cc12 1436893362 BGCGXCHFHJNIAT-UHFFFAOYSA-N 428.311 4.564 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 1456304941 FOOTWWCMRHDFBZ-UHFFFAOYSA-N 427.010 4.625 30 10 IJEE C=CCn1c(SC[C@H]2COC(C)(C)O2)nc2scc(-c3ccc(C)cc3)c2c1=O 1458738253 ZVCWOXQZKPKREM-MRXNPFEDSA-N 428.579 4.863 30 10 IJEE C#CCN(C(=O)c1cc(O)c2ccsc2c1)[C@@H]1CCOc2ccc(Br)cc21 1465179433 CSQCDDXURBJTDS-QGZVFWFLSA-N 442.334 4.969 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1465781087 GNSPIUTULXAADS-MRXNPFEDSA-N 432.320 4.864 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1467757610 WBFSZCNFPQRQMW-KBMIEXCESA-N 430.548 4.708 30 10 IJEE C=CC(C)(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1468008545 OEQLDGBKSIVWDC-UHFFFAOYSA-N 427.353 4.736 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccccc1 1469447912 HPVUOZIWMMTOFO-VQTJNVASSA-N 444.316 4.902 30 10 IJEE N#Cc1ccc(CCNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 1470135456 DEOPOGVOVPCWCB-OAQYLSRUSA-N 431.458 4.587 30 10 IJEE C=CCCC[C@@H](NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1 1473759534 IZSJTOBNOQGBGU-OAQYLSRUSA-N 447.410 4.724 30 10 IJEE C=CCc1cc(CN[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc(OC)c1O 1474085004 CHKVYMVKROYVJS-REWPJTCUSA-N 446.950 4.762 30 10 IJEE N#Cc1ccc(NC(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)cc1C(F)(F)F 1476211283 HDTQUJAHQKRMLQ-KRWDZBQOSA-N 438.450 4.586 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)Cc4cccc(C#N)c4)n3C[C@@H](C)N(C)C)cc2C1 1493491774 FKWAPYNWPDFURO-QZTJIDSGSA-N 448.640 4.590 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CC=C(C(F)(F)F)CC1 1507562301 JFCAIXIUAXPJDQ-UHFFFAOYSA-N 425.458 4.996 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCSC(F)(F)F 1507770964 UVQXXXRILPMWGY-GOSISDBHSA-N 428.911 4.767 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1507915230 AJAPMUKZAMVTLK-QHCPKHFHSA-N 437.632 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1507923077 MOTQAESMFJTOMU-HSZRJFAPSA-N 431.584 4.914 30 10 IJEE C=CCCCn1c(N(C)Cc2ccoc2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507953821 MOBGCZUFITUVKU-KDURUIRLSA-N 429.565 4.553 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSC(C)(C)C1 1507957878 MEMMFQFDBNNUJT-HXUWFJFHSA-N 444.645 4.959 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 1519546416 IYMJUCCBUCLWFF-UHFFFAOYSA-N 433.895 4.641 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 1519589900 KYCUNOBRLNDPIH-KXBFYZLASA-N 429.446 4.744 30 10 IJEE C#CC[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)c1ccccc1 1519779471 SUUSCHUKOYXYFO-KRWDZBQOSA-N 429.263 4.582 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 1521711237 HDVZZVPHVQZNLF-RBUKOAKNSA-N 439.515 4.755 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1526902984 CKHMICQWFDISFV-FQEVSTJZSA-N 445.523 4.647 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1 1527039808 DBJOVUIUYUVEOH-UHFFFAOYSA-N 448.954 4.580 30 10 IJEE C=CCc1cc(CNC(=O)C(F)(F)c2ccc(Br)cc2)cc(OC)c1OC 1527046340 DRGIBWRMUSYDHA-UHFFFAOYSA-N 440.284 4.603 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 1527423968 ZJEKUTVAPKJGMH-UHFFFAOYSA-N 439.490 4.908 30 10 IJEE CN1C(=O)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H]1c1ccccc1 1537660954 HMJZLYMCQXVAOJ-HSZRJFAPSA-N 431.879 4.617 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCSC2(CCCCC2)C1 1539124600 QLJPQAFYACRGKG-UHFFFAOYSA-N 430.568 4.817 30 10 IJEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1539139219 GSRBAERLFPLMNF-KRWDZBQOSA-N 441.576 4.934 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1539148614 QVJNDZDAYIXZBZ-RTBURBONSA-N 444.023 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)CCC(C)C 1539306414 XIWLBGAQGJFRDN-HSZRJFAPSA-N 447.410 4.902 30 10 IJEE CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1539472000 CCPHXDKCJQSOAO-OAHLLOKOSA-N 446.320 4.712 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CSCCS1 1539569062 HSBSYRGTCFZBMH-SIKLNZKXSA-N 444.695 4.720 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](C(C)C)C1 1539610286 XEFMPUAORLHYCJ-QGZVFWFLSA-N 449.393 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H](C)CCC 1539620093 JDITXAYVHQUPKE-SPEDKVCISA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1 1539620913 OFEYSTLCSVWCJN-GMAHTHKFSA-N 448.615 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCC[C@@H](SCC)C2)nnc1[C@]1(OCC)CCOC1 1539932175 XPSVDFSPBFGEIU-XXBNENTESA-N 436.666 4.645 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)c1ccccc1 1539949270 WPMCIDHPRZJPCT-GMAHTHKFSA-N 448.615 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOc1ccc(Cl)cn1 1540056775 UGFYKMSAJJGAGU-UHFFFAOYSA-N 425.964 4.992 30 10 IJEE C=CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1540114271 KCJFORNMYIJVQY-RDPSFJRHSA-N 438.616 4.896 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CCc2cccs2)cc1 1540877921 JKVUXLPJKDVBFV-FQEVSTJZSA-N 438.597 4.526 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2nc(C(C)(C)C)cs2)o1 1542330212 BJCPCOGVDVNUHH-HSZRJFAPSA-N 438.601 4.973 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)c1ccc(Cl)cc1F 1556559570 KYMLDAGNIJTZGS-VQTJNVASSA-N 430.907 4.844 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 1556783923 FMSHNKUNCDQIGG-SFHVURJKSA-N 442.560 4.612 30 10 IJEE COc1ccc(-c2nc(SCc3nc(C)c(Br)s3)nc(O)c2C#N)cc1 1559333868 KGIVDHKCMMOGBH-UHFFFAOYSA-N 449.355 4.549 30 10 IJEE CC(C)[C@H](CCN(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)NC(=O)OC(C)(C)C 1562429843 CFSTWAYDHJGPHD-KRWDZBQOSA-N 442.482 4.980 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC3(CNC(=O)OC(C)(C)C)CCCCC3)cc2n1 1563301848 NNRNLUCDNJHHMQ-UHFFFAOYSA-N 427.549 4.571 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc(F)cc1 1564996402 WKMPQMHOLICJFD-PXNSSMCTSA-N 438.890 4.793 30 10 IJEE C#C[C@H](NC(=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(Cl)cc1F 1565002271 IUUAAXNJZIZSNM-WMZOPIPTSA-N 449.231 4.556 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1)c1ccc(Br)cc1 1584709301 ZNFMAPFIUKZALN-YADHBBJMSA-N 425.370 4.603 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cc(C(CC)CC)no1 1588301807 CLCWDBBNWUJDMB-UHFFFAOYSA-N 430.556 4.836 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCSC1 1588451884 IQKUPDQYMNEJBX-HNNXBMFYSA-N 439.412 4.767 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCc2cc(Br)ccc2C1 1589059504 GQKKEKUAIDBJLL-UHFFFAOYSA-N 445.430 4.627 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCCOC(C)C 1589185576 CHWZNNIAQOXKBO-RUZDIDTESA-N 440.588 4.548 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C(C)C)C1 1589570890 XDSMAEDJMGBFJI-SLSDLSHTSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCc1cccnc1 1589609402 XADBBKPQQFCKPW-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1593717575 HSGRBIAVFASNEU-JOCHJYFZSA-N 426.605 4.884 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccccc2)N(C)C)CC1 1594133715 CGVBKAUXQOVJHG-XPWALMASSA-N 437.632 4.656 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2Cc2cccnc2OCC)CC1 1594408460 IFXNHQLODLUUDS-UHFFFAOYSA-N 431.584 4.698 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1594497585 JKUPNAFAVSTLHN-RBUKOAKNSA-N 442.608 4.665 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H]1C)c1ccccc1 1594534611 MVVZWXLJMJCPBN-QKNQBKEWSA-N 430.556 4.520 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1594792913 AKIUJTCARCLKFJ-HSZRJFAPSA-N 437.632 4.510 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCCN1CC)C1CC1 1595034118 WOLBMDDNJFJRPR-FQEVSTJZSA-N 444.421 4.737 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C)C1CC1 1595034338 ZQWJKFPEEBVXTN-HXUWFJFHSA-N 439.604 4.966 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCC[C@@]2(C1)OCc1ccccc12)C(C)C 1595171100 QADXSLMLYYSLBR-SQHAQQRYSA-N 449.643 4.565 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1c(C)noc1C 1595239544 MNXWFKHLBJOYHR-AUSIDOKSSA-N 449.599 4.816 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](OCCC)CC2)cc1 1595613976 LTSQJPUQSPSNTK-HSZRJFAPSA-N 447.583 4.739 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1595855143 ZJVCYYVDDJDQQE-OAQYLSRUSA-N 436.629 4.674 30 10 IJEE COc1ccc(NC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)cc1C#N 1597525040 FQPKVIGOBVPQMR-UHFFFAOYSA-N 435.524 4.772 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@](C)(O)C(C)C)c1C 1611822147 DLAAWTKXUHRWID-CPJSRVTESA-N 439.604 4.572 30 10 IJEE CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CCC(C)C 1620191467 FWIPLRKJWONHIE-CQSZACIVSA-N 439.427 4.553 30 10 IJEE CC(=O)c1ccc(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)nc1C 1623170003 VIXULAIEXLYIAW-UHFFFAOYSA-N 436.327 4.812 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC/C=C/c1ccc(Br)cc1 1628326043 JWOMPAHHGUNCFR-VOTSOKGWSA-N 438.325 4.643 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3OCC)n[nH]2)c1C 1629548169 ULEUHDFFHLDURL-FQEVSTJZSA-N 435.572 4.992 30 10 IJEE C#CCCOc1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1632066998 ICWPCPUJLPJEND-HXUWFJFHSA-N 434.536 4.748 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1632683108 MCWQCWBYSBVJCO-HNNXBMFYSA-N 440.487 4.981 30 10 IJEE COC(=O)[C@H](CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1ccccc1 1633914533 CSCPDAYMZFVMGV-LJQANCHMSA-N 434.879 4.691 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccc(Cl)cc1F 1640467655 ROJBQIUSLWPHMZ-IEBWSBKVSA-N 428.891 4.809 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1641582133 DYMJORYGOZAQJX-RXVVDRJESA-N 426.557 4.832 30 10 IJEE Cc1cc(F)ccc1N(CC(=O)Nc1nnc(CC(C)C)s1)Cc1cccc(C#N)c1 1642141903 GZMNLYJZJURNMB-UHFFFAOYSA-N 437.544 4.701 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)C[C@@H]2c2cccnc2)n(-c2cccc(F)c2)c1C 1653379548 DNMDZOGYGOUQAF-QMHKHESXSA-N 431.515 4.522 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 1658420860 AVAOTIUGXKYICT-GOSISDBHSA-N 428.492 4.801 30 10 IJEE CCN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1659790820 FJQQOYLZYUDKCE-UHFFFAOYSA-N 447.276 4.550 30 10 IJEE C#CCN(C(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1)C1CC1 1660103631 QCLFJDGDJOETMK-UHFFFAOYSA-N 434.237 4.587 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(Cc2nc3c(s2)CCC3)CC1 1660468731 DRVJTBDKTKMRQL-QGZVFWFLSA-N 429.655 4.551 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 1667791990 JTWDMMLMJRWCJK-UHFFFAOYSA-N 449.510 4.965 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2 1668335875 PJMSCEUVOGDSED-PLMTUMEDSA-N 428.577 4.720 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1 1680958835 AUNWOOPUNXNCDB-NQIIRXRSSA-N 431.577 4.743 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)c1ccc(Cl)cc1F 1682368039 VITULTILHCSLTD-DLBZAZTESA-N 437.696 4.739 30 10 IJEE Cc1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)ccc1-c1ccccc1 1686191784 CWZRIZOYFOPIBK-UHFFFAOYSA-N 428.511 4.705 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@H](CSc2ccccc2)C1)c1ccc(Br)cc1 1686919546 HNZJKXZAJMZOJZ-OXQOHEQNSA-N 429.383 4.947 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1nccs1 1689834955 CJVVNQQJRFSPRP-HZPDHXFCSA-N 425.627 4.679 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1nc(C)cs1 1689951283 RMMJBFAOJWCDIV-OAHLLOKOSA-N 425.627 4.914 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2sccc2C1 1690156565 YMQJEYVGDJIWJR-MRXNPFEDSA-N 442.585 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(CC)C(C)C 1690198259 IMRNDFZBHZJSHC-JOCHJYFZSA-N 434.415 4.974 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1690207506 ANUIOQJLYDQGRG-YDJYNLAZSA-N 438.591 4.984 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1F 1690241436 SEHFOEMVKNXXQY-RXVVDRJESA-N 441.938 4.750 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1690519715 VAZMGZQUVOJOQP-UHFFFAOYSA-N 437.588 4.697 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1csc(CC)n1 1690555857 GEDNLZSCEAIZAU-UHFFFAOYSA-N 448.596 4.552 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCN1CCCCCC1 1690568981 AINUFUBQISOHJP-UHFFFAOYSA-N 448.590 4.856 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)SC 1690601741 BIPSXTGIKTWETN-KRWDZBQOSA-N 428.005 4.980 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCC(F)(F)C1 1690613338 DGSAYZPQHCWKNJ-INIZCTEOSA-N 439.938 4.848 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(F)cc1C(F)(F)F 1690613378 FLSFZIHPPSBOCB-UHFFFAOYSA-N 438.425 4.692 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCn2ccnc2C)C1 1690689559 GXTZGPRRXPNYQS-QHCPKHFHSA-N 448.615 4.619 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C[C@@H](C)O1 1694929020 BDLWSCZRUFUXTG-CRAIPNDOSA-N 441.988 4.778 30 10 IJEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(C)(C)C)cc1OC 1696116814 HZBJQFSUNIAUFC-QHCPKHFHSA-N 429.540 4.621 30 10 IJEE COC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1697086991 AXQRSKNWFDMJDJ-YADARESESA-N 425.577 4.590 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1705625582 PJAQAHXXZIHIHD-OYRHEFFESA-N 437.607 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1705698812 YXMYNIHRBZKGFD-KQZHTCIUSA-N 440.588 4.568 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1705739737 PJOYMXKWXAMNIT-IBGZPJMESA-N 428.552 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1705788122 PTWDISAYUKCEQO-GOSISDBHSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705792903 FXSOBMOPIRGIHG-NRFANRHFSA-N 438.616 4.554 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1705809645 YCMYOQBPUDICGE-FQEVSTJZSA-N 428.552 4.605 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1705827525 IEIZVWMQKDZKJJ-JBACZVJFSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCC[C@H]1C 1705865141 GTDABSXDOVIFNU-KOSHJBKYSA-N 438.597 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1C[C@H](F)C1 1705868234 GORLJZFVTHUIRB-WGSAOQKQSA-N 428.581 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](OC)c1ccccc1 1705870622 LMXCQHOPXBCGOV-IBGZPJMESA-N 442.361 4.602 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCc1scnc1C 1705872804 LUACTAYIJIFBIZ-UHFFFAOYSA-N 444.402 4.894 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2scnc2C)cc1 1705911686 NNUTUFVPMORCMG-FQEVSTJZSA-N 439.585 4.534 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)c1ccc(F)cc1 1722464698 PJACHTKHGWNXFC-DUXKGJEZSA-N 444.620 4.900 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1SC 1722488285 FONYHKNRZQHLQV-UHFFFAOYSA-N 444.402 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC(C)CC1 1722506649 VZMSUBPSRAYEJG-UHFFFAOYSA-N 449.441 4.560 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722530019 KNOSENAMMZFAFI-XZOQPEGZSA-N 449.599 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](c3ccccc3)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1722593551 VPYJXXATWRRPMU-UNIVCBNLSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1cnn(C)c1 1722604649 HQRKJEQTSFWAEP-OAQYLSRUSA-N 426.515 4.578 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cn(CCCCC)nc1C 1722634148 LUQARHBWUZYUEJ-UHFFFAOYSA-N 429.572 4.859 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@H](C)c1c(C)noc1C 1722675798 SAAKGIBURYQOBF-KRWDZBQOSA-N 432.528 4.577 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2[C@@H]2C[C@H]2C(C)C)C1 1722716674 YDMPSYNQNFZXFS-SOUVJXGZSA-N 437.407 4.767 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722735800 UHTSQOYAZIZBKU-FQEVSTJZSA-N 430.618 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)C1 1740753748 NQSYMESVHQQXIN-GREBRCKQSA-N 430.980 4.585 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1740786014 MONDSCLQCOHXFL-KSEOMHKRSA-N 426.580 4.981 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1740795603 YYDIYCMDBZTTCV-NRFANRHFSA-N 448.970 4.899 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](CCOC)C1 1740802730 CMPPQWYNMCGJRJ-HXUWFJFHSA-N 439.991 4.968 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(C)(C)OC)CC1 1740819891 IYBWLDLZEVQLOO-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2ccco2)CC1 1740836531 WUVVCVLSGWBTEH-UHFFFAOYSA-N 447.583 4.668 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740840086 WAFCNJDOGHSRCR-JOCHJYFZSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1scnc1C 1740845331 LMIDLXYZKRSHEO-UHFFFAOYSA-N 441.601 4.966 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740889262 YKUZELASOSOULS-CIAFKFPVSA-N 430.637 4.806 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)CC(C)(C)C1 1740889591 PVDBRWTYNADSIF-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(F)(F)F)C1CC1 1740907857 BAPWXBLHMOHOOG-UHFFFAOYSA-N 432.288 4.779 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1(C(C)C)CC1 1740916565 QQXCDYNSVUKJIJ-UHFFFAOYSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCc1nc(C)c(C)s1 1740920319 APBYEIYTNPYADT-UHFFFAOYSA-N 436.560 4.921 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1740935164 DDRYKOKYZDORNT-UHFFFAOYSA-N 444.583 4.573 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1C[C@H]1CCSC1(C)C 1740936970 PDGPUIOWSOEQMW-LJQANCHMSA-N 437.613 4.624 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1741005215 FPPPTJFKIIFHOX-FQEVSTJZSA-N 428.646 4.864 30 10 IJEE CC(C)(C)c1nnc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)s1 1741158683 DUWSDEGGYPERDF-UHFFFAOYSA-N 441.992 4.536 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1743067560 AQRYXONVSSIJEC-HXUWFJFHSA-N 426.653 4.651 30 10 IJEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1746405914 FFAQCGSCRXIZFB-SFHVURJKSA-N 441.004 4.652 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1Cc1ccc(CC)s1 1748947018 XFHQQSZPLICQLS-UHFFFAOYSA-N 445.567 4.715 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(OC)C1 1749024442 QMRWOJFQXVXBME-SBUREZEXSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@@H](SC)C(C)(C)C 1749077859 CVIROFSFOJYXBH-HYBUGGRVSA-N 442.629 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)OC 1749119632 VBMKTOHXDIFGCT-SCTDSRPQSA-N 434.968 4.667 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)=C(C)C1 1749122417 VSUPINOWZVLIKW-QFBILLFUSA-N 446.393 4.563 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC=C(C)CC1 1749126016 ZJAAWKKAFAUPCN-YLJYHZDGSA-N 443.389 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1749154530 WATBGPRRZCNROZ-GOSISDBHSA-N 443.555 4.905 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CC1(N2CCC(OC)CC2)CCCC1 1749158354 HQVVJUVYMOAZHY-UHFFFAOYSA-N 431.669 4.693 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749182054 KPIIZHPPCLNFPN-IUODEOHRSA-N 429.284 4.918 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)F)C1 1749214053 TYPYVXGXZLJMOA-IRXDYDNUSA-N 438.494 4.631 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CC=C(C(F)(F)F)CC1 1749280535 KRMCGNNZFMWRCM-UHFFFAOYSA-N 426.870 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749370855 QWNNPSBDVFZALM-QAPCUYQASA-N 440.485 4.766 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1749433732 UQOXPTIBCIPBAE-UHFFFAOYSA-N 435.616 4.718 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1ncc(CC)s1 1749528704 YSBCHJLLTXYREY-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCCC1 1749584584 OMNNMCAIFLLXBI-UHFFFAOYSA-N 444.627 4.758 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCc1sccc1C 1760098138 OWRVCDKUCPYCBK-OALUTQOASA-N 438.597 4.887 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 1760132812 SGKQXWQAIRDWCV-UHFFFAOYSA-N 426.008 4.857 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760146985 CUQVEQXJGGGRAS-GOSISDBHSA-N 449.343 4.993 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1760156457 HAUXBWLSYOETOO-UHFFFAOYSA-N 436.556 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](OC)C1CC1 1760298191 ALXIYNOWJHGFOD-JYFHCDHNSA-N 436.600 4.706 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1SC 1760309688 DZEXYBCDNLZTLQ-UHFFFAOYSA-N 444.402 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)CCOc1cccc(Cl)c1 1760316748 WPARSNVQRAHKOZ-WFXMLNOXSA-N 432.996 4.941 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)CCC)CC1 1760385382 TUQJRNAPGXSWNT-HXUWFJFHSA-N 437.357 4.554 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCCN2CC)CC1 1760385833 ANAJZDVDPXQZCV-GOSISDBHSA-N 444.421 4.738 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1760389570 NOKFBLBGVYGOJZ-SLFFLAALSA-N 443.636 4.526 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1760416863 OZAVCVKYFCMTQV-IXDOHACOSA-N 444.542 4.567 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1760441653 PNILWSVXFKFSPX-UHFFFAOYSA-N 436.991 4.964 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H](C)N1CCCCC1 1760455959 DEIOHHWGQOPICF-OALUTQOASA-N 432.012 4.958 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCSC1 1760499295 UHNCKQFHEDUXHW-VXKWHMMOSA-N 426.630 4.550 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C(C)C)C1 1760499297 UHNFCYXFJUEDCC-DEOSSOPVSA-N 444.627 4.696 30 10 IJEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2nc3c(s2)CCCC3)cc1 1764441883 FUMNMHTUWRWCSG-KRWDZBQOSA-N 434.613 4.681 30 10 IJEE CS[C@@H](C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N 1770409331 HFZYFPRCERLEAV-GJZGRUSLSA-N 426.615 4.724 30 10 IJEE Cc1csc(N=C2S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)n1 1772732302 ABAXXJYBAKPRRN-RXCWDLJVSA-N 426.479 4.854 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccccc1OCC(C)C 1861359714 XYEUJEWDFCDUHB-JTHBVZDNSA-N 446.632 4.554 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(O)c1 1862430682 PGKVVDZARNXNNC-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862441921 FJJGLWYCEQLJPB-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 1862444616 CESHHQSNNRWWTQ-JOCHJYFZSA-N 449.890 4.838 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(OCC)c1 1862526531 VHWSBXJTHIBKBV-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(Cl)cc2)cc1 1862535728 JIPFUPYGGZKZIM-NRFANRHFSA-N 427.928 4.643 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C)cc2)cc1OC 1862576277 QUKBAEGBOVFHBA-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862593465 IDOVNCOAZAHQGT-IVZQSRNASA-N 444.443 4.640 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862672333 ANYOVOFIWCXJQO-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(F)c2)cc1 1862672782 GWIZAGTVIDDAJF-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(O)c1 1862725381 HQSLSSGQKWRTGM-XMMPIXPASA-N 443.499 4.999 30 10 IJEE COc1ccc(C)cc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2cccc(C#N)c2)C1=O 1863131535 MMIQHCCIZGVEHB-UHFFFAOYSA-N 448.482 4.753 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1 1863305915 IIEAFONZILNBEC-MRXNPFEDSA-N 441.462 4.659 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(C[C@@H](C)O)C1=O 1863696712 STOQABUAQMJEHF-HXUWFJFHSA-N 444.616 4.665 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c(C#N)c1C 1866045489 CSTYHWRHMVESPO-UHFFFAOYSA-N 433.489 4.610 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3[C@H](C)COC[C@H]3C)n2)cc1 1868534103 LUAAAZYBERICBF-QZTJIDSGSA-N 429.524 4.771 30 10 IJEE C=CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870811579 FAECJIDZDBMJPV-UHFFFAOYSA-N 441.535 4.735 30 10 IJEE Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871374238 ZCBNFBKEGMIPCL-XKZIYDEJSA-N 444.443 4.805 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccn2)C3=O)cc1 1871391344 YGMYSCNUUBQJEF-HMAPJEAMSA-N 429.428 4.623 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(OC)c1)C2=O 1871394069 BGTXDAJBCXKCJA-JLPGSUDCSA-N 444.531 4.785 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871422597 TVDOWIXRTPZXJV-QRVIBDJDSA-N 445.446 4.970 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)s1 1871426213 WBAWAMVQSJVKTD-UEXNTNOUSA-N 449.532 4.821 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)Nc1ccc(F)c(F)c1F 1871443485 SNVHEZBXJPTBKY-OCKHKDLRSA-N 443.352 4.877 30 10 IJEE Cc1c(OCC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc2c1O/C(=C\c1ccco1)C2=O 1871445763 LUKDCDKECHVVBZ-QRVIBDJDSA-N 443.455 4.814 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)[C@H](C)CC)S(=O)(=O)CC 1872215413 AANYMKBHYDSKGN-JPYJTQIMSA-N 428.598 4.853 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1 1872510370 LJEOYHRDJNSKGX-JOCHJYFZSA-N 446.638 4.631 30 10 IJEE COc1c(C)cc(C)cc1-c1csc([C@@H](C#N)C(=O)Cc2ccc(NC(C)=O)cc2)n1 1872780723 LROWTDVKXIZHOA-FQEVSTJZSA-N 433.533 4.813 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2CC(C)C)cc1OCc1cccc(Cl)c1 1873502407 LAPISYFKORNIET-FSJBWODESA-N 430.961 4.889 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(C)cc1 1874219158 XQPSMQJJSDHKHB-MFKUBSTISA-N 436.581 4.939 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(CC)cc1 1874222663 XMEUJIRFQNSLAU-KOEQRZSOSA-N 436.581 4.803 30 10 IJEE OCCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(F)c1 1874234080 QCTSOGYGFWXWLB-YZSQISJMSA-N 434.540 4.712 30 10 IJEE CCCc1ccc(OCc2nnc(SC)n2/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 1874256587 JHRRLTVMVADTQV-FSJBWODESA-N 446.960 4.781 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2cc(OC)ccc2OC)cc1 1874257479 CNSCLKLZFXQLST-BUVRLJJBSA-N 440.569 4.821 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1 1874428622 RTOLWFPODWBQNU-OEAKJJBVSA-N 439.610 4.738 30 10 IJEE C=CCSc1nnc(-c2ccccc2)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874428964 KIQCHSMWQNIDPL-CIAFOILYSA-N 445.342 4.582 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2C)cc1 1874459364 JNCKGFOWGFAYSD-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE Cc1ccsc1/C=N/n1c(SCc2nc(O)c3ccccc3n2)nnc1-c1ccco1 1874467566 PUPCUGWWEDARBV-SSDVNMTOSA-N 448.533 4.731 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(SCC(=O)N(CCC)CCC)nnc1C(C)C 1874515823 RCWWBMFBQVKLLU-LFVJCYFKSA-N 443.617 4.589 30 10 IJEE O=C(/C=C/c1ccccc1OCc1nc(O)c2ccccc2n1)c1cccc([N+](=O)[O-])c1 1874569643 BOXAWLXWNRKXEF-OUKQBFOZSA-N 427.416 4.719 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cccc1OC 1874588952 MRQJWQFRVNGBCM-VAWYXSNFSA-N 445.943 4.809 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)C1CC1 1875144392 CPFLYRCUSWDYPP-WEVVVXLNSA-N 430.884 4.967 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)C[C@@H](C)C1)n2CCOC 1875226344 ZXLZAQYNJJZJQW-BGYRXZFFSA-N 443.636 4.968 30 10 IJEE CC#CCCCCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892628592 IRSIMBICUWAQFN-HSZRJFAPSA-N 437.561 4.905 30 10 IJEE C=C1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 1903861701 ALTRINCJVPIQNK-UYHXOISSSA-N 428.613 4.605 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(Cc3ccccc3)C(=O)OC(C)(C)C)[C@H]2C1 1930036682 WRQQDLCFBKLREX-ZYLNGJIFSA-N 441.572 4.963 30 10 IJEE CC[C@@H]1CC[C@@H](C#N)[C@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1974789335 BDPQMMPMTMCCPD-PXZOFWEESA-N 432.520 4.944 30 10 IJEE C=CCN(CCC(=O)NCc1cccc(Cl)c1Br)C(=O)OC(C)(C)C 2060650839 KNKGXYNCDMFLAP-UHFFFAOYSA-N 431.758 4.532 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C[C@H]2CCCO2)C(=O)OC(C)(C)C)C12CCCCC2 2072200130 XJKRIKNZHHETGX-KOSHJBKYSA-N 449.592 4.618 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNc2cc(Br)c(C#N)cc2F)C1 2115611631 XEZOPWDBGREJDS-CKSWESSHSA-N 430.293 4.515 30 10 IJEE N#Cc1cc(F)c(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1Br 2148946481 QIMGGTJMWSPDAT-HKUYNNGSSA-N 428.349 4.808 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174568115 MQCCOXFENPAUOO-DNVCBOLYSA-N 436.394 4.836 30 10 IJEE CC1(C)C[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)N(C(=O)OC(C)(C)C)C1 2181108770 WUYJLUFAGJWNGK-HNNXBMFYSA-N 436.350 4.685 30 10 IJEE CCCN[C@H](C#Cc1ccc(C)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223323557 BJZHUBSNIKREIW-RPBOFIJWSA-N 436.596 4.825 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224080500 NFXAIWMXSXBINL-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](CC1CC1)NC(=O)OC(C)(C)C 2235720861 AHMKBHXUMGUBJX-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CC(C)[C@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccccc1Br)C(F)(F)F 2235733868 PABDKGVAWTWQBT-SFHVURJKSA-N 448.279 4.852 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C1CC1 2235745724 DZOAOHPPCMWJOM-RTBURBONSA-N 435.406 4.718 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C12CC(C)(CN1C(=O)OC(C)(C)C)C2 2235750822 ZAZXRTGTFBXLJW-XTWGIRIWSA-N 433.390 4.568 30 10 IJEE C=C(CS(=O)(=O)N(Cc1ccccc1)[C@H](C)c1cccs1)B1OC(C)(C)C(C)(C)O1 2247962931 RXYVCTIRQCCRIZ-GOSISDBHSA-N 447.431 4.829 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2262203021 CEOKHMLHIZJJMU-BWKNWUBXSA-N 447.572 4.655 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2288287651 RJJNSOATISHQGJ-ZHDKGAKHSA-N 433.390 4.602 30 10 IJEE C[Si](C)(C)C#C[C@@H](OCCC(=O)O)c1scc(Br)c1Br 2290672996 WMUGVQRACFXYRO-SNVBAGLBSA-N 440.229 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](N)(C#Cc3ccc(Br)cc3)C[C@@H]21 2296231102 ZWYMBXAEVUJHRW-ZWCUEREDSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@@H](O)C#Cc1cccc(Br)c1)C1CCCC1 2296232885 REVGZRUSXCTWSV-QUCCMNQESA-N 436.390 4.883 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)c1ccc(Br)cc1 2296770737 RJAWJOSQCDMTAQ-UHFFFAOYSA-N 425.234 4.920 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 2297748268 OHZJRFPOAVXLMJ-BXKMTCNYSA-N 449.547 4.592 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317349378 BJPPWGWJZRJZEZ-SFHVURJKSA-N 429.370 4.538 30 10 IJEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2CCOc2ccccc2)cc1 2322024014 ASRCLKZPSSCTEA-UHFFFAOYSA-N 444.560 4.958 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3cccc(C)c3)c2)cc1 2323094469 VLONKIHBSUMWDG-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1OC(=Cc1cccnc1)C2=O 2323283263 MAWJZZRMXANRIQ-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccccc1)O2 2324969583 LRKRZBBCVYWNCG-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1 2326002833 LUIGSQXFBMYOTR-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326303437 WHCRQMWSLHULHH-UHFFFAOYSA-N 425.514 4.630 30 10 IJEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1cccc(Cl)c1 2326951832 MREQYRAHJVATPJ-UHFFFAOYSA-N 431.005 4.657 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 2331170388 GOGVYKVPCXZXKO-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 2331187346 ZEXPNZLRKMQSDI-UHFFFAOYSA-N 435.465 4.629 30 10 IJEE COCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cn(C)c2ccccc12 2331305996 WWCFZRQQPGVHMH-UHFFFAOYSA-N 439.972 4.787 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1cccc(Cl)c1 2331307179 OITBRFAQSSYWPK-UHFFFAOYSA-N 442.972 4.860 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)COCCOC 2331424579 AHQXRPWWIWSYES-UHFFFAOYSA-N 440.536 4.847 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCOc1ccccc1 2331449401 WEYJVFSAOSIHCA-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1c[nH]c2ccccc12 2331537646 BLMQGVUKQNKOCK-UHFFFAOYSA-N 438.601 4.650 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(CC)cc1 2331659229 RWIICNAWKOAPDW-UHFFFAOYSA-N 432.553 4.616 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(CC)cc1 2331662073 XIOXQOWROIVAQU-SFHVURJKSA-N 435.597 4.645 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2ccccc2)nnc1C(C)C 2331698327 INTDQPIHVMSFTD-UHFFFAOYSA-N 426.542 4.602 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339541753 RFYNBQOGUGIWEV-QZMUEMGWSA-N 433.405 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339578193 DAAYBBSFPWHBQB-JXOMPUQVSA-N 444.381 4.752 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339595657 KLVRFKXUWXVZCF-IBGZPJMESA-N 444.381 4.798 30 10 IJEE CC1CC(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)(NC(=O)OC(C)(C)C)C1 2339599705 HXTNBRMDXRBJGX-UHFFFAOYSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@@H](O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2359707633 SZOCVXFOSWZRDB-YZVAWVHESA-N 434.374 4.635 30 10 IJEE CC[C@@H](NC[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836043 JUPWHRAKEBXDCL-NAKRPHOHSA-N 448.460 4.939 30 10 IJEE Cc1ccc(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCC[C@H](C)C2)c(Cl)c1 14160170 FFIFYPWPGSOTOA-AWEZNQCLSA-N 431.009 4.952 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccccc2)Nc2cc(Cl)ccc2OC)c(C)n1 32972839 NZHSHSKYPRJUSS-UHFFFAOYSA-N 439.947 4.662 30 10 IJEE Cc1cc(Cl)ccc1N/C(=N\C(=O)c1cccc(F)c1)NCCc1c(C)nn(C)c1C 32973871 UABAANUDUWGNEK-UHFFFAOYSA-N 441.938 4.578 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 34954439 GIRLXZHYGMYRFB-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE CN1CCc2nc(SCC(=O)Oc3ccccc3)c(C#N)c(-c3ccccc3Cl)c2C1 40570047 RUMQLHXWUILEMQ-UHFFFAOYSA-N 449.963 4.959 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)c1 41430466 LXNWLCOVHGWHOA-XKZIYDEJSA-N 434.419 4.987 30 10 IJEE CCOC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3cccc(N4CCOCC4)c3)o2)cc1 96794657 KUCFPWGROIURAO-BENRWUELSA-N 431.488 4.856 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)ccc1F 169955226 MLOXHPAZUWLOAV-QFIPXVFZSA-N 434.467 4.572 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccc(C)c2)cc1 169968626 ZPLBPJYVODYBAF-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccnc2)c1 170012718 OFOJUALKRMLNRX-HSZRJFAPSA-N 430.479 4.924 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2)cc1 170053536 FXFLFAWACYBJEO-FQEVSTJZSA-N 447.516 4.501 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(C)c2)cc1 170145050 XMKOHTGMINUZHF-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(O)c(OCC)c2)cc1 170149257 DPSXMBXSMUTZQA-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)c1 170167743 AQBFMWWUYGDMRP-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccn1 170167979 MAABGOHJWQGXJN-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccc(OCC)c1 170217875 GBHQVSRLXVXYOY-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 170412633 YVXNPYIFOLSWEF-XMMPIXPASA-N 442.515 4.540 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccc(N(C)C)cc3)[nH]c2cc1C 170447281 PAFMMBKZAMBYGI-HSZRJFAPSA-N 446.551 4.761 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1 170464560 PMHXIWXKKBOSDQ-NRFANRHFSA-N 439.508 4.705 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(OC(C)C)cc1 170472983 VDTQAAIVEPXZPO-JOCHJYFZSA-N 437.536 4.993 30 10 IJEE CC1(C)OB(CCC[C@@H](N)c2cc(Br)cc(Br)c2N)OC1(C)C 383813938 CLLGAJIDNNRSIK-CYBMUJFWSA-N 448.008 4.666 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)CC2)c1 438061411 KEVFDNKIKKXZOF-XYWHTSSQSA-N 436.943 4.518 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 460786710 LLVBAAKESAEECT-UHFFFAOYSA-N 428.515 4.754 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 475557761 DOYJAWWOKHCVOA-UHFFFAOYSA-N 449.595 4.910 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508929659 IREVFTCZMOVLAB-UHFFFAOYSA-N 430.552 4.589 30 10 IJEE C=CCn1c(Sc2nc([C@@H](C)OC)ns2)nnc1-c1ccc(Br)cc1 509714776 SROHWZNLQZPQMV-SNVBAGLBSA-N 438.376 4.604 30 10 IJEE Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 512724180 DINAIBAPHHWXIZ-QFIPXVFZSA-N 442.523 4.530 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(F)cc2)c(OC)c1 526490803 PWPAVSHEMNUWES-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 549248384 PGAKSURGQVSRHE-YADHBBJMSA-N 436.943 4.762 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 567282753 JSTYIPKKDDRILP-ZEQRLZLVSA-N 425.536 4.750 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 572649130 BDVQZUUHMZHQFO-SFHVURJKSA-N 436.478 4.707 30 10 IJEE CC(=O)Oc1ccc([C@@]2(C)CC(C)(C)Oc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1 575449190 KNWJMWPDRFMBCX-AREMUKBSSA-N 436.357 4.778 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)c1 586672896 GCLGTARJZYBJTA-UHFFFAOYSA-N 427.888 4.585 30 10 IJEE CCOC(=O)C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1C 589366310 GXLLWIIPAGEPFR-QHCPKHFHSA-N 444.491 4.870 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@](C)(C#N)c1cc(Br)ccc1F 698378398 KDCICHGFUNLHHO-HXUWFJFHSA-N 442.373 4.906 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698447044 RTKCFJUHSJBICV-HOBQYKGVSA-N 427.545 4.966 30 10 IJEE C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)N[C@H](C)c1cc2ccccc2o1 758121164 CVDGLZNIPMQJNK-CHWSQXEVSA-N 430.382 4.746 30 10 IJEE C=CCOc1cccnc1C(=O)OC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 775240002 HSNMJAWZUWXSBV-LAUBAEHRSA-N 434.458 4.905 30 10 IJEE N#C[C@@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1ccc(F)cc1F 786560785 CPDWRMFOPXXNEV-MDNIKOHYSA-N 442.771 4.589 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])SC1=Nc1ccccc1Cl 799218556 HTGGASWTGRHKAW-KRWDZBQOSA-N 446.916 4.537 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1=S 799940838 DNEGVCBWZZLVON-NRFANRHFSA-N 448.640 4.945 30 10 IJEE C#Cc1cccc(NC(=S)N2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)c1 811709420 ZVZMKKCABPDDDP-FXAWDEMLSA-N 429.383 4.573 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 914768384 LGGOHYHBWPOJQV-ZPHPHTNESA-N 432.545 4.928 30 10 IJEE C=CCc1cc(CNC(=O)C2(c3ccccc3Br)CC2)cc(OC)c1OC 1125545224 YGWIAGRXMZPNKS-UHFFFAOYSA-N 430.342 4.543 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)OCC(=O)Nc2ccc(C)cc2Cl)s1 1125662137 HELFOUYQEDZCGO-UHFFFAOYSA-N 445.393 4.982 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C12CCCCC2 1126659633 BNHNIJPUNFXQHC-DHIUTWEWSA-N 427.564 4.500 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(OC)cc(Br)c2OC)C(F)(F)F)cc1 1128969339 ZYDNRKUVLWWXFW-KRWDZBQOSA-N 443.215 4.908 30 10 IJEE Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C#N)CCc3ccccc3)cc2)cc1 1135435046 DDIKSTFSYDEUJA-HXUWFJFHSA-N 433.533 4.507 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 1135762311 FYVHQYBCEUIKFK-HSZRJFAPSA-N 432.911 4.550 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 1138633188 DEJOVGAICRDECI-UHFFFAOYSA-N 447.279 4.684 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccccc3Oc3cccc(F)c3)n[nH]2)c1C 1144780601 CXCFAZJSAXACBN-UHFFFAOYSA-N 445.498 4.937 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1148499259 AYSDHYHUDJYVEN-UHFFFAOYSA-N 449.429 4.773 30 10 IJEE C#CCC1(NCC(=O)Nc2cc(-c3ccc(Cl)cc3)sc2C(=O)OCC)CCC1 1176381533 OVUSGFGTLSMYIC-UHFFFAOYSA-N 430.957 4.719 30 10 IJEE C#C[C@@H](N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(Br)cc1 1182031125 GBWMSXYQZMYLNL-NHCUHLMSSA-N 427.342 4.514 30 10 IJEE C=CCn1c(SCc2ccc(OCc3ccccc3F)cc2)nnc1-c1cnccn1 1188916201 WSPPTSAGXBVSMK-UHFFFAOYSA-N 433.512 4.932 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)Nc2cnn(Cc3cccnc3)c2)cc1 1205351141 ASXXIDJZOGRVOO-UHFFFAOYSA-N 426.505 4.993 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 1214393014 DMDLWVBONIVJBH-UXHICEINSA-N 431.330 4.883 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1 1214640555 DFGMOALHYFEDGW-UHFFFAOYSA-N 438.450 4.934 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 1219462738 LSBGBOLKHAEEMH-GHTZIAJQSA-N 429.561 4.815 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccccc1 1254094496 QRZLURQFYDIPEH-WOJBJXKFSA-N 429.923 4.981 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C)c1ccccc1 1272703362 DQBVWHVIGYIODH-ZWKOTPCHSA-N 442.401 4.888 30 10 IJEE C=C[C@H](OC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccccc1 1279069412 IRXAFZXCCMFOSD-NRFANRHFSA-N 428.517 4.892 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccnc1OCCCC 1286440095 MZDCCEKTPWBKAK-UHFFFAOYSA-N 440.551 4.575 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC(C)(C)CN1CCCC1 1286457884 GUWFUAUCUKWIMK-UHFFFAOYSA-N 439.623 4.768 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC[C@](C)(CC)O1 1286527346 JEYXYBVACCGLHJ-RCXJIHSJSA-N 436.600 4.814 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1(CCOC)CCC1 1286528477 CCCPXQXMBLCSQS-RUZDIDTESA-N 436.600 4.618 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCN(C(C)C)CC1 1286591449 SZCMMJYMYBMTDC-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@@](C)(OC)CC2)nnc1C1(c2ccccc2)CCC1 1286613900 IFESPSSFWNLBHI-RUZDIDTESA-N 438.616 4.736 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 1286614052 JJQDNPWNEYJRLX-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCC(F)(F)C1 1286765733 IRXUJJVPPZKALX-QGZVFWFLSA-N 449.502 4.708 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)C1 1286814258 OMRNZOHBOPMMMN-XMSQKQJNSA-N 449.020 4.574 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1286833604 IVGFOTBUWIQDIX-WMZHIEFXSA-N 449.624 4.779 30 10 IJEE C=CCCC[C@H](C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)c1ccccc1 1288274433 BHXSXFSQOAFMQW-FQEVSTJZSA-N 436.506 4.629 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccccc1 1289585633 CFIJEQNMINXUCK-HHHXNRCGSA-N 448.317 4.627 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1 1295551038 CRCLACHCWJMSBU-YADHBBJMSA-N 429.605 4.672 30 10 IJEE C=CC1(CC(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)CN(C(=O)OC(C)(C)C)C1 1299883491 BLAMVGGEDAIWPO-UHFFFAOYSA-N 425.407 4.598 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1300421476 HUYZCKLFIOMWJX-CALCHBBNSA-N 431.378 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cscc1C 1300569243 HRBSPWHTQSFJIK-UHFFFAOYSA-N 448.592 4.622 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCSCC(C)C 1300650213 ZHRLKWGJVOTHNQ-NRFANRHFSA-N 430.593 4.688 30 10 IJEE C#CCN(CCOC)c1nnc(CCCc2ccccc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1300675151 MMXCBVZMIHGVQA-NHCUHLMSSA-N 448.533 4.833 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCSc1nccs1 1300789384 KECJKSWRJFXRTJ-JOCHJYFZSA-N 439.610 4.585 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1CSC 1300852932 GBCBWTZOGDEZGW-MRXNPFEDSA-N 446.418 4.591 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1300936932 ANFBXBFOTBLLBU-HXUWFJFHSA-N 425.577 4.577 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1301203253 WAGVCJCDGRRSLY-OAQYLSRUSA-N 436.629 4.959 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1301245996 LFAPUVYRZGZYMA-LPHOPBHVSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCN1CCC(C)CC1 1301365630 UQCZCSVXZDZDGA-UHFFFAOYSA-N 441.670 4.916 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1301432753 BOPKEGXOCKVXNV-PCCBWWKXSA-N 441.595 4.834 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N(C)Cc1ccc(Br)s1 1301467740 JMTFCJDJUWQFDZ-UHFFFAOYSA-N 447.402 4.718 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nccs2)C1 1301566880 SRDIWSPTQPNDMB-MRXNPFEDSA-N 448.017 4.510 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301594363 AZQJNDIWHXLBLF-RBBKRZOGSA-N 427.662 4.810 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1 1301612938 RTQYYQLRJHJEKX-RTBURBONSA-N 449.665 4.548 30 10 IJEE CC(C)[C@H](NC(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O)c1ccc(F)cc1 1307360111 CPZQQLKKCZQWKC-NRFANRHFSA-N 443.931 4.754 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2nn(C)c3ccccc23)cc1OCC 1308376721 NREFKFFJJINEKJ-UHFFFAOYSA-N 444.373 4.632 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)CC1 1310637843 WZRIIPDWZLWVMA-UHFFFAOYSA-N 446.320 4.600 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)C(C)C 1311388434 OCLBYXGCMHDITG-RBBKRZOGSA-N 441.513 4.984 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1 1313125818 LGJVFZCZWNMEDT-INIZCTEOSA-N 435.615 4.902 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)C1 1315241743 DOKZLQZWJFJIAK-NRFANRHFSA-N 427.961 4.585 30 10 IJEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)C1 1315893092 FZBDLPBMSUPFRN-AZUAARDMSA-N 435.597 4.620 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1348037928 XMHZGRXASFCOKR-AWEZNQCLSA-N 445.397 4.547 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cc(-c3ccc(OC)cc3)sc2C(=O)OCC)cc1 1349041395 BOCXOZMTHRQMFT-UHFFFAOYSA-N 435.501 4.865 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CSC(F)(F)F)c1ccc2c(c1)OCO2 1349399144 UWZQGLAXMZXDDQ-UHFFFAOYSA-N 425.428 4.766 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C(=O)OCCCC)cc2)CCCN1C(=O)OC(C)(C)C 1350164334 QQPWGNQAEPMRJC-XMMPIXPASA-N 430.545 4.928 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)cc1 1351528412 KVMAOAHTWOZBEK-UHFFFAOYSA-N 429.307 4.708 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC(C)(C)c2cccc(Cl)c2)nnc1-c1ccco1 1356188040 UNQNSVAMMKIOBO-UHFFFAOYSA-N 444.988 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCCCCC1 1358877587 HGYJRXDQCZLBGD-SFHVURJKSA-N 426.630 4.819 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCc1ccc(Cl)s1 1358897605 BZFSIEJFKJAETF-MRXNPFEDSA-N 428.989 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1358899742 UFOQXSVJNJNBMX-IGKNDFSCSA-N 426.527 4.948 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2=CCCCC2)CC1 1359031429 BFFPZORKYJTIKW-UHFFFAOYSA-N 431.628 4.888 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCCOC2)CC1 1359168935 NTNWCJWJFCQLIS-INIZCTEOSA-N 437.371 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1359187853 ZJZLFWRPBVRXMX-HOTGVXAUSA-N 438.601 4.526 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1359212206 DRJHIJGVGNPEBM-UHFFFAOYSA-N 449.624 4.988 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCCCCC1 1359257137 ADCZZVPFZYRBBP-UHFFFAOYSA-N 447.583 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CCc1nnc(C)s1 1359264367 CZVZZOFQEYDCAE-UHFFFAOYSA-N 428.631 4.668 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)nc2)c1 1435480797 OYFFJUSMRKANCW-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nccs1 1440665001 SYCVZLUTBWFYLY-OAQYLSRUSA-N 433.533 4.955 30 10 IJEE O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H](O)c1cccc(C(F)(F)F)c1 1448451561 FWFVSRHKQJUWON-KBPBESRZSA-N 429.719 4.951 30 10 IJEE C#CCN(C(=O)CCCc1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1456452407 ZCIXPRFRUIGRDD-FQEVSTJZSA-N 430.317 4.897 30 10 IJEE C=CCN(Cc1coc(-c2c(F)cccc2F)n1)[C@H](Cc1ccccc1)C(=O)OCC 1459953314 PSOHFSUOJCICGY-OAQYLSRUSA-N 426.463 4.782 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](Cc2ccc(Br)cc2)C1 1460135951 BEYWYHNBYANFIL-GDBMZVCRSA-N 446.776 4.866 30 10 IJEE C#CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)[C@H]1CCCc2ccccc21 1463013229 CVOAFEYGOYCCMK-VWLOTQADSA-N 442.563 4.770 30 10 IJEE N#Cc1cc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)ccc1Cl 1464424714 AACOAVMDTVXHHY-GOSISDBHSA-N 431.879 4.539 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 1468216114 OFPVHNUGIKJELY-CTNGQTDRSA-N 442.401 4.762 30 10 IJEE C#CCN(C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCCc2ccccc21 1468985925 OZMALCJKKYXVPY-VXKWHMMOSA-N 435.955 4.558 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](CO)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1478272665 OHFMMNGBUPJILB-NQIIRXRSSA-N 436.474 4.797 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCOc2ccc(F)cc21 1478438674 QWWHHQFOQBFGRC-SFHVURJKSA-N 437.284 4.949 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1oc2ccccc2c1C 1507520586 PQXUXSMWOJDSDT-CYBMUJFWSA-N 438.329 4.597 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](C(C)(C)C)C1 1507576937 NVASCWILUAIRNV-UTKZUKDTSA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cn(CCCC)nc1C 1507681508 WEIVTVPPKPFLJY-UHFFFAOYSA-N 441.583 4.615 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1507857917 WYHNFYIKVAHZHI-ROUUACIJSA-N 425.964 4.719 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1507927334 QFJZGIKLBHBCEE-UHFFFAOYSA-N 433.556 4.602 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Br)s1 1507951407 QWNSEERQCQPKHO-UHFFFAOYSA-N 432.391 4.691 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1CCN(C(C)=O)CC1 1507970611 LLYJSSMGBXNSSO-UHFFFAOYSA-N 444.004 4.694 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1507975163 ONPDSTQJFTZXQO-GOSISDBHSA-N 439.560 4.863 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@H]1CCCn2cc(C)nc21 1507996103 GJWUCCUGPGTJIB-JOCHJYFZSA-N 429.572 4.548 30 10 IJEE O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cn(Cc2cccc(F)c2)nn1 1515092391 FCQJUWOPLQOMAA-INIZCTEOSA-N 447.310 4.945 30 10 IJEE C#CC[C@]1(C(=O)Nc2ncc(-c3cccc(C)c3)s2)CCCN1C(=O)OC(C)(C)C 1520795256 YSDPZUFUWHVXRW-HSZRJFAPSA-N 425.554 4.850 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C\c1ccc2cc(OC)ccc2c1 1523507064 CIKJRNJDRRKDMN-WQLSENKSSA-N 432.472 4.991 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c(OC)c1 1523520780 ORMYGYLTWGYWLX-UHFFFAOYSA-N 446.334 4.993 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1523759877 UPBFNWCZUMYGID-NRFANRHFSA-N 442.581 4.558 30 10 IJEE C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1525937723 FJDIONRCQOUEKM-RXVVDRJESA-N 434.536 4.720 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1526684287 XJQYENBLROFVHF-UHFFFAOYSA-N 432.564 4.788 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2)c1ccc(Cl)cc1F 1528522374 BBGBZKFALMLFIX-LJQANCHMSA-N 425.866 4.705 30 10 IJEE C#C[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(Cl)cc1F 1528522810 FFCPABHSXXPQDT-OAQYLSRUSA-N 430.870 4.831 30 10 IJEE Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 1529348274 CJQXERKBABGIOL-OAHLLOKOSA-N 441.457 4.666 30 10 IJEE C=CCCO[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1cc(OC)cc(OC)c1)CCCC2 1529763499 CZPRMBNAWBTNGM-OAHLLOKOSA-N 443.565 4.795 30 10 IJEE C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CCCC1(C)C 1530837422 AISKGXCAKYBIEE-KNKQGSTJSA-N 432.630 4.560 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)c2C#N)[C@H](C)C1 1534153711 AWETYTFUQGGPBU-IBLWWLKCSA-N 425.529 4.603 30 10 IJEE C=CC[C@@H](C(=O)N1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1)c1ccccc1 1536604927 YRYPYDRROVRAQZ-HXUWFJFHSA-N 426.582 4.769 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1539087540 WGTZWBRUHHYHRL-MOPGFXCFSA-N 446.064 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(C)CCCO1 1539566388 JKSIAAUEPGDQOX-FTJBHMTQSA-N 436.600 4.850 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@](C)(CC)C1 1539729368 PGGNLGMLBHWUMX-UUOWRZLLSA-N 444.645 4.729 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN(C)CC(F)(F)F)CC1 1539877789 FRAHNWYODKGWKU-UHFFFAOYSA-N 435.538 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1539910895 PNGJPTSQOYJYSD-JOCHJYFZSA-N 430.600 4.653 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)OC(C)(C)C1 1540922821 ZHJBZYRAJFHBQS-QGZVFWFLSA-N 448.658 4.502 30 10 IJEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCC2CC(OC(C)(C)C)C2)c1 1542666566 AKBCIRMPGHMNRR-YMISUZCDSA-N 439.604 4.745 30 10 IJEE C=C(C)CN1CCC(NC(=O)c2cc(Br)c(CC)c(Br)c2)CC1 1542973393 LYFKTPGKIGKIQB-UHFFFAOYSA-N 444.211 4.544 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 1556615908 BSZVRPOVJNJQEU-HSZRJFAPSA-N 442.600 4.678 30 10 IJEE O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCc2ccc(C(F)(F)F)cc2C1 1561823189 BNLMUHAPEFMGTE-UHFFFAOYSA-N 427.341 4.610 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(OC)c2)c1 1562074399 AEUMHVANLLSZLN-JOCHJYFZSA-N 435.524 4.502 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CC)C[C@H](CC)c2ccccc2)cc1 1562198004 YYJYFEVGHZHQRK-IBGZPJMESA-N 429.586 4.541 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCCC1(C)C 1564515466 HATOPPOCBQNCCF-PKOBYXMFSA-N 437.506 4.583 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2=O)cc1 1564547071 GIRBNPIEBHMYQA-DEOSSOPVSA-N 448.542 4.737 30 10 IJEE C=C(C)[C@H](NC(=O)NCC1(N(C)Cc2ccccc2)CCOCC1)c1ccc(F)c(F)c1 1564597583 XXZBYYPZQXLDKA-QHCPKHFHSA-N 443.538 4.562 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1566137825 PZQKYENZVNDYJI-UHFFFAOYSA-N 438.365 4.902 30 10 IJEE C=CC[C@]1(C(=O)OCc2ccc(OC(F)F)c(F)c2)CCCN1C(=O)OC(C)(C)C 1583922545 KVJKBVNKSVKRSR-OAQYLSRUSA-N 429.435 4.816 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1 1584690222 RDDYBSDXQSTGQQ-SFHVURJKSA-N 428.717 4.701 30 10 IJEE C=CC1(CC(=O)Nc2nc3ccccc3n2CCC(C)C)CN(C(=O)OC(C)(C)C)C1 1587354028 HDNBZGJUKDRBIS-UHFFFAOYSA-N 426.561 4.834 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC1CC(F)(F)C1 1589505366 LWFYHLUOGWHEIK-LEWJYISDSA-N 430.543 4.970 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(CN2CCCCCC2)CC1 1589544213 GAWVQUGRZYNVBG-ZCYQVOJMSA-N 443.680 4.550 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1593605383 SDEISOYUKCDOQB-QHCPKHFHSA-N 428.602 4.652 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN(CCC)C(=O)OC(C)(C)C 1594943858 ZUPTZAIYZAXFIG-UHFFFAOYSA-N 438.576 4.696 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1595171522 WHWJFPHXJVHKIO-FDFHNCONSA-N 429.653 4.701 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1595319261 JHCPTRCVTFTTNF-FQEVSTJZSA-N 441.620 4.561 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1595501305 PCWIBIHJPMQCKQ-TZIWHRDSSA-N 435.616 4.561 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CCC1 1595905134 DQSXXZBMZIAWGA-IBGZPJMESA-N 449.665 4.896 30 10 IJEE CC(C)(C)Oc1cc(F)ccc1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1623249618 FRNAPVPRAKTSIE-UHFFFAOYSA-N 447.514 4.777 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1623821474 GHLCLOGHEXEKET-JOCHJYFZSA-N 442.556 4.723 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 1629330319 JMMGEHFAAMLMQN-FQEVSTJZSA-N 438.572 4.931 30 10 IJEE C=CC[C@H]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 1640070842 NNABXNZWWUQAGQ-HNNXBMFYSA-N 425.451 4.645 30 10 IJEE C=C1CCC(C(=O)N[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CC1 1640172735 PTMHNZGOAWXVPG-CJFMBICVSA-N 426.557 4.752 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 1642677650 PKYBJKIRHORCIM-UHFFFAOYSA-N 435.480 4.824 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3SC3CCCC3)CC2)cn1 1644131437 HTWQSISZULJJIW-UHFFFAOYSA-N 426.973 4.604 30 10 IJEE CCC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1)OC 1649634086 HYLILSOXJJBDAV-DNRQZRRGSA-N 439.604 4.980 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(C)OCCc3ccccc32)cc1OC 1651476352 DTURFVLRMSDAAB-JOCHJYFZSA-N 432.358 4.600 30 10 IJEE C=CCN(Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H](Cc1ccccc1)C(=O)OCC 1653296368 MSDFGIUTYNHOJU-HXUWFJFHSA-N 432.351 4.804 30 10 IJEE COC(=O)c1cc(Br)cc(Oc2nc3c(c(C#N)c2C#N)CCCCCC3)c1 1655321209 CNFPVXCEEOJIBN-UHFFFAOYSA-N 440.297 4.825 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](Cc3ccc4ccccc4c3)C(=O)OC)cc2n1 1664850728 XHOZAVRVLUESCJ-QFIPXVFZSA-N 442.519 4.529 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3O)cc2n1 1664853145 BTSHVLZUNFCIHR-PMACEKPBSA-N 431.323 4.651 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F 1667181414 LLDNKLYKQCCFFI-MOPGFXCFSA-N 433.430 4.813 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1668360474 XLQSNGHHGWICPG-PGRDOPGGSA-N 436.980 4.569 30 10 IJEE C=C(C)CN1CCC(NC(=O)NCC2(c3ccccc3Br)CCCCC2)CC1 1668488373 MQWUBBJMQACVQN-UHFFFAOYSA-N 448.449 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1(c2cccc(Br)c2)CCCCC1 1669825585 GFMMLLDYDWCZEJ-PXNSSMCTSA-N 435.406 4.931 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)cc(OC)c1OC 1672768679 KQPNSWPGSOICTO-UHFFFAOYSA-N 442.466 4.526 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1674036570 QHBAHIJRUAORCB-XNWPKKHHSA-N 449.954 4.631 30 10 IJEE C=C1CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)CC1 1675936033 HXVCKELOLIQJEI-OAQYLSRUSA-N 427.639 4.931 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(CN(C)C(=O)OC(C)(C)C)cc1 1677722563 INGZEPXMSIUTRG-UHFFFAOYSA-N 443.544 4.749 30 10 IJEE C=CC[C@@H](NC(=O)NCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccncc1 1679026572 LQOUSPPCYVDSMB-FGZHOGPDSA-N 438.572 4.524 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)NCc1ccc(C#N)c(F)c1 1686796078 IFAOQFIPLXNBQX-FQEVSTJZSA-N 448.464 4.917 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(F)(F)C1 1689918193 UNSZBADSPOTKLH-UHFFFAOYSA-N 429.696 4.620 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H](C)CCC 1689928618 SKYMXQPQEKIVQR-PMACEKPBSA-N 431.625 4.678 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1689937368 XWCIDIRSSGPOAB-GOTSBHOMSA-N 436.600 4.671 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1CCOC1 1690059758 XITBBPWQSRZKRB-MOPGFXCFSA-N 430.980 4.574 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1690230615 LDKOOIMXOMOTIE-VUCTXSBTSA-N 436.423 4.557 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1690316756 LUAPNKKHLFPQNA-AUSIDOKSSA-N 442.579 4.709 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(=O)N[C@@H](C)CC)CC1 1690399381 VJEAUFRATYKWRG-SFHVURJKSA-N 446.599 4.509 30 10 IJEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690467368 UYNRIECVYJZCSM-AZUAARDMSA-N 436.522 4.966 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1690486556 MGTAWJHJJHFSBD-IBGZPJMESA-N 438.551 4.865 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1oc(CCC)nc1C 1690569289 FCGODACKNMBODD-UHFFFAOYSA-N 446.530 4.969 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@](C)(CC)O1 1690576325 WEHXNEDZVTZWMW-JPYJTQIMSA-N 425.602 4.885 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@](C)(O)c1ccco1 1692343475 HQLXSLXUQWIOLG-QHCPKHFHSA-N 441.963 4.865 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1692346348 BRADJRKPQBOTLI-UQBPGWFLSA-N 434.588 4.744 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@@H]2CCCCO2)cc1 1693166253 IFKSGCXZGNDJFT-RDPSFJRHSA-N 439.629 4.968 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1705515064 RZTWDDAEKBHQHW-FQEVSTJZSA-N 434.613 4.909 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]2CCC[C@@H]21 1705532134 GWOHXCRDZIYTLJ-NJYVYQBISA-N 441.620 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1705544788 DIOGUAORUAQRAO-XHNVNVPESA-N 439.673 4.711 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 1705653375 GLAWGFROWBTNLY-LJQANCHMSA-N 436.547 4.965 30 10 IJEE C=C(Br)Cn1c(C2CC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1705685291 VCAPWHMJGKRFBI-UHFFFAOYSA-N 449.368 4.754 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 1705702769 OSZQZQAQJADNFH-RCZVLFRGSA-N 437.632 4.694 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C)C(C)(C)C1 1705702943 PLUYNTXXUGKPAX-ZYKOEDHHSA-N 438.616 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705705893 MNZDXCQOTADTOM-ZCVJKFOLSA-N 444.645 4.553 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1705769922 JMFXWNHTIJLGJD-KRWDZBQOSA-N 428.886 4.646 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCCCC2)CC1 1705777183 YYDPCDBMVHJLRI-SFHVURJKSA-N 428.552 4.655 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705872709 IMNAVWDIHBHAJH-QGZVFWFLSA-N 430.581 4.625 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCCS1 1706921502 BOHSOHCAWLYFDB-HKUYNNGSSA-N 443.592 4.973 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC=CO1 1712886734 DFESAXADRHNJLO-HNNXBMFYSA-N 448.390 4.592 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1CCOCC1 1722277501 IOCWDHAFKFZOJQ-QGZVFWFLSA-N 435.597 4.652 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722361890 JMVPZYNNCHILMG-FDDCHVKYSA-N 446.064 4.804 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(N(C)C)CCCCC1 1722404051 OIYDGABTMCBCMC-UHFFFAOYSA-N 434.415 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1CCCCO1 1722505707 OQYRSHLAASHIFJ-KRWDZBQOSA-N 436.398 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(Cc1cccs1)C(C)C 1722510725 WYCOQFAIRWPSCH-NRSPTQNISA-N 430.618 4.977 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 1722539764 YWKOHJUGXWZALS-MRXNPFEDSA-N 439.501 4.527 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1722542776 HQDIZDCPAWXGBS-OAHLLOKOSA-N 436.387 4.550 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722609682 CYRGBDHSWAGAHR-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCn1ccnc1C)C1CC1 1722653537 GPWVFPARNJTSDL-UHFFFAOYSA-N 434.588 4.515 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCN(C)C1CCCCC1 1722662665 KJUFWIZYIGSSLL-UHFFFAOYSA-N 436.629 4.859 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(F)F)c1 1722677260 YLIOHJSGKRVMFC-HXUWFJFHSA-N 442.510 4.986 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722734384 YQBBBBOUEVEUPH-OAQYLSRUSA-N 426.630 4.558 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1)OC 1726858408 AULMICUABDMQMP-WIYYLYMNSA-N 427.618 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C)C1CCCC1 1740537046 AHUJNLVWSOKAMA-HXUWFJFHSA-N 444.627 4.685 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1740577650 KYZRPCOZZXKOJI-SJORKVTESA-N 431.378 4.658 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCN1CCC 1740600238 JNSJQWDUMBRDSL-FPOVZHCZSA-N 444.023 4.632 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1740708933 GGATWMOUPDSXDF-GIWBLDEGSA-N 439.673 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1Cc1cn(CCCC)nc1C 1740730355 YIQSGSZBHKDFMB-XMMPIXPASA-N 436.991 4.944 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(CC)Cc2ccc(OC)cc2OC)nnc1C(C)(C)C 1740767536 PLKWYVDPLYWCLC-SIKLNZKXSA-N 442.604 4.601 30 10 IJEE C=C(C)Cn1c(N(C)[C@H]2CC[C@@H](SCC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740784983 FSXKLHIPLLPIEL-ZSYWTGECSA-N 449.665 4.735 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)OC1CCCC1 1740805746 WTDUBFNBKYBXQN-UHFFFAOYSA-N 429.721 4.910 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CC=CCC2)CC1 1740834751 BPBDJAIGAVLIGR-IBGZPJMESA-N 438.572 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](OC)C1 1740852199 JOUMRWLNOYRNHK-SFHVURJKSA-N 430.618 4.797 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(C)CCCS1 1740916015 AQALUJPRWUKVKP-ZJSXRUAMSA-N 437.613 4.870 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC[C@H](OC)C(F)(F)F 1740930541 VJJNCTAAUDLPMD-IBGZPJMESA-N 433.478 4.583 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2CCC(OC)CC2)C1 1740973499 YKBDITDWSSOTTE-LGOQJGIVSA-N 438.616 4.807 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](OC)c2ccc(Cl)cc2)C1 1740980597 QJIPIAZXNSSQNW-SFTDATJTSA-N 430.980 4.758 30 10 IJEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)CC1 1743175582 DDQUHCFFKZIPGA-DEOSSOPVSA-N 444.583 4.800 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC2(CCC2)C[C@H]1CC 1748701898 SNSBXRGVJNZYJZ-QGZVFWFLSA-N 430.394 4.998 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)CCOC 1748912706 GSDVAGFJXWDTAR-UHFFFAOYSA-N 433.600 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1OCCC 1749058379 GSELBLYAORFBRG-XMMPIXPASA-N 435.959 4.823 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)S[C@H](C)C1 1749239936 QALKHMFDGNODPY-HDICACEKSA-N 448.658 4.502 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)c2nc(C)cs2)CC1 1749311649 VNLWNMBUSVRUPP-KRWDZBQOSA-N 439.585 4.591 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(C)CC2)CC1 1749348671 UQKHVHASRHSIJG-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@H]1CC 1749460638 DSZIMTUZWHRAGT-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1749460916 JCVOAZQWCLHOAY-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)CC(C)(C)O1 1752317607 AFLBGCKUUKNIOP-QGZVFWFLSA-N 435.597 4.860 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cn3ccccc3n2)n1CCCC(C)C 1760243557 ODUXZQKPMIXVJL-UHFFFAOYSA-N 444.558 4.732 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(CC)[C@H](C)C1CCC1 1760279684 IDLMXBUNFHUTLO-GOSISDBHSA-N 435.597 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1C 1760320039 VZHXMLSOOXFLIU-CLCXKQKWSA-N 449.368 4.817 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760408622 PXYLMXJUBRMGEA-OAHLLOKOSA-N 425.499 4.522 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1760441679 QFMVDJLRQKURSG-FQEVSTJZSA-N 444.004 4.831 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1760442254 KSSZQXQZDYJBJE-QZTJIDSGSA-N 431.378 4.678 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760450051 CBYSFVHXESRQSJ-QHCPKHFHSA-N 439.604 4.502 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCc2sc(C)nc2C)c1 1761661932 HKIWMEZPNWNPPH-KRWDZBQOSA-N 438.601 4.528 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21)N(C)C 1762158067 FUXQCCDQKLXZJF-NHTMILBNSA-N 434.632 4.952 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1)c1ccco1 1766599344 HOYQDKOABHKHRL-JOCHJYFZSA-N 444.539 4.722 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1sccc1Br 1767087735 GSPJEBFFZXKVRK-UHFFFAOYSA-N 442.386 4.926 30 10 IJEE COc1ccc([C@@H](Cn2c(C3CCCC3)nnc2N(C)[C@H](C)CC#N)N2CCCC2)cc1 1768432064 FTMHBIZFWAHOEE-AUSIDOKSSA-N 436.604 4.520 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Cl)n2CCc2ccc(Cl)s2)C1 1771528444 AWSSAPSWDDXNNL-IBGZPJMESA-N 436.343 4.998 30 10 IJEE CN1C(=O)/C(=C2/SC(=Nc3cccnc3Cl)N(c3ccccc3)C2=O)c2ccccc21 1772733132 KJZSGGYGAULCME-KMYLBQJISA-N 446.919 4.890 30 10 IJEE CC[C@H](Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3O)N(CC)C2=O)cc1)C(=O)O 1772763879 YWQACMVOPZYELC-TTWZDYQVSA-N 440.521 4.567 30 10 IJEE CCc1c(OCc2ccc(C#N)cc2)c(=O)ccn1C1CCN(Cc2ccccc2)CC1 1857912795 VJMFXIJUFVBTLF-UHFFFAOYSA-N 427.548 4.698 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCN(C)C)cc1 1862379906 OCQGJQDNUCXDRQ-FQEVSTJZSA-N 447.362 4.832 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccccc2)cc1 1862387979 XVXLKRLITRTYLH-XMMPIXPASA-N 434.580 4.949 30 10 IJEE 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4.566 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CSc2nc3ccccc3s2)cc1=O 1870302449 QSOALEDWBLDWTD-UHFFFAOYSA-N 448.569 4.819 30 10 IJEE CCCCCCCCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CC(O)C1 1870343781 GNQAMPWBBDPWDX-UHFFFAOYSA-N 444.591 4.884 30 10 IJEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1C 1870348320 SJEQEJULZHGFRJ-UHFFFAOYSA-N 429.564 4.888 30 10 IJEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN(CCCC)CCCC)cc1=O 1870563879 RUWCCONECIUSBS-XMMPIXPASA-N 445.003 4.650 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1cccc(OC)c1 1871219226 ARBSWNIUHGVOSB-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OC)c(OC)c1 1871250884 BFIWIJKKXQTGDG-UHFFFAOYSA-N 447.535 4.728 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3nc5ccccc5[nH]3)CO4)C2=O)c1 1871349370 QISSGZQIXQGYGS-FMCGGJTJSA-N 439.471 4.540 30 10 IJEE Cc1c(OC(=O)Cc2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccccc1F)C2=O 1871374556 QKGIGPRMSAKXPC-MTJSOVHGSA-N 433.391 4.807 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871389103 KDYSGDDQLOGANN-UCQKPKSFSA-N 444.439 4.846 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)Nc3ccccc3OC)ccc2C1=O 1871411523 IROOAMQBENVKOJ-DNPFKWNUSA-N 445.471 4.726 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O 1871442728 REAAIEAVBXTFOD-YVLHZVERSA-N 426.881 4.739 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1871776021 JXKAZSAYVHZDFD-CVDCTZTESA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871856813 PLNSRRUWDPQHAY-QFIPXVFZSA-N 430.570 4.814 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871861053 XLJDQHJOPSINFW-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 1872245157 OECYMAGOCYCMMP-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 1872527849 JVNJIDQHUVMPSK-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE CC(C)(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 1872768019 HRHVZWKETSWCOL-SFHVURJKSA-N 435.549 4.859 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)c1 1872770829 GCTLLQGYPXGIKS-INIZCTEOSA-N 428.897 4.979 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cc2[nH]1 1872807126 CHAOHBLNJRYZHB-UHFFFAOYSA-N 443.503 4.645 30 10 IJEE COc1cccc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCCC3)C2=O)c1 1873218234 CADBEYMLYNYNJM-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE Cc1c(CCC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873913400 SLCGJEXQXWODCX-UHFFFAOYSA-N 426.520 4.830 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874264617 HFFJRJDNIGGVAM-YDZHTSKRSA-N 444.944 4.688 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(C(C)C)cc1 1874276805 BRNJHZCEXYSDAD-OEBVFIGYSA-N 427.618 4.900 30 10 IJEE CCOc1cccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)c1 1874442624 HHQSMZDLCGLZIZ-PGLVWIQMSA-N 426.517 4.842 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccc(F)c1)c1ccccc1 1874468809 YNDKPPMMTHBJKW-FRQJIFLKSA-N 449.511 4.529 30 10 IJEE C=CCSc1nnc(CCOC)n1/N=C/c1ccc(OCCCCCC)c(OC)c1 1874472857 AHEBESUPWMFTIR-HAVVHWLPSA-N 432.590 4.595 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1ccccc1Cl 1874479651 KSYPMBHDRFIJEV-HZHRSRAPSA-N 436.025 4.897 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2CCCOc2ccccc2)ccc1OC(C)C 1874564291 YAKYDXIYXIZGQI-LFVJCYFKSA-N 440.569 4.647 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2COc2cc(C)c(Cl)c(C)c2)cc1OC 1874568739 OEJKGZHXMHXVFT-FOKLQQMPSA-N 446.960 4.706 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)c1 1875100762 BOMFGBZMKZVNTI-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] 1875127167 RANFVEXCAVPERX-YRNVUSSQSA-N 432.388 4.927 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCCOc2cc(Br)ccc21 1888161104 WPZDNZTYKDLNAU-QGZVFWFLSA-N 425.367 4.723 30 10 IJEE C#Cc1ccccc1CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951600615 OMVHQOXBCNTMTE-VWLOTQADSA-N 425.484 4.592 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1(C)C 1964909137 GNRMCSJDYWBAJN-CQSZACIVSA-N 436.350 4.685 30 10 IJEE C[C@@H]1CC[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@]1(C#N)NC1CC1 2055583365 IXEUPAMDKBAGTK-KEKPKEOLSA-N 430.640 4.824 30 10 IJEE C#CC[C@H](C[C@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2076106914 MOYFOHYRLOSOIC-DSITVLBTSA-N 441.660 4.820 30 10 IJEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1O 2079998352 PPLNKFGTPCCTJG-AWEZNQCLSA-N 448.239 4.576 30 10 IJEE COc1ccc(Cn2nc(C3CCCC3)c(C#N)c2Br)c(Br)c1 2080299979 CYSNAIFMUZGHTE-UHFFFAOYSA-N 439.151 4.994 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNc1ccc(C#N)c(Br)c1F 2106091870 UPUCSPDEEJIXRM-JSGCOSHPSA-N 426.330 4.765 30 10 IJEE Cc1nc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2116073033 LMGCSMZPQWNNIS-GMAHTHKFSA-N 436.405 4.509 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C(C)(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2124461103 ZNBYRHKIHVOCTP-INIZCTEOSA-N 429.399 4.583 30 10 IJEE Cc1c(Cl)cc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)cc1Br 2167376760 LEWXRFMTJNOMPO-UHFFFAOYSA-N 440.574 4.815 30 10 IJEE CC(C)(C)OC(=O)N1C2CCC1(CC(=O)Nc1ccc(C#N)c(Br)c1)CC2 2181047135 SPRGNWZUDNYAJS-UHFFFAOYSA-N 434.334 4.581 30 10 IJEE N#Cc1ccc(Cl)c(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)c1 2181055527 IXZDYPDBOIEOBE-KRWDZBQOSA-N 439.821 4.788 30 10 IJEE Cc1cc(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C 2224137824 TUPCVCSJVZWPMR-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2224253039 KIZRPXJXTDYIFB-YOEHRIQHSA-N 429.403 4.737 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)cc1OC 2231186615 OBCKTADXCRMYBV-SJLPKXTDSA-N 427.383 4.968 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CC1CC1 2233326333 YOQLIEWTTKLUAV-YJBOKZPZSA-N 441.414 4.566 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@H](O)C#Cc2ccccc2Br)C12CCC2 2235725715 DRWCDSSPFKMLGX-ZHALLVOQSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)NCCC1([C@@H](N)C#Cc2ccccc2Br)CCCCC1 2235749400 KCUDTZYGIFECFM-IBGZPJMESA-N 435.406 4.993 30 10 IJEE CCCN[C@@H](C#Cc1ccc(OC)nc1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2263839784 UACHAKQCENVGIX-QHCPKHFHSA-N 437.584 4.637 30 10 IJEE CCN[C@H](C#CC1CCCC1)c1ccc(I)c(Br)c1 2274057516 CDBGOLDDFZOYIB-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE C=CCOc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1OC 2294082109 BMIFDDVVNYWBCO-UHFFFAOYSA-N 439.895 4.791 30 10 IJEE NCCO[C@@]1(C#Cc2ccc(Br)cc2)CCCC[C@H]1OCc1ccccc1 2296221179 GPIHRCJDLABGLB-DHIUTWEWSA-N 428.370 4.674 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@@H](O)C#Cc2ccc(Br)cc2)C12CCC2 2296285804 FIANTHHDBWVDSY-NZSAHSFTSA-N 434.374 4.635 30 10 IJEE Cc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCCCC(=O)O)cc1 2297311569 AZGFIOJAYMTYNX-DEOSSOPVSA-N 433.504 4.618 30 10 IJEE CCOc1ccc(NC=C2C(=O)c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)cc1 2297334986 CCPBMNUHNSGZII-UHFFFAOYSA-N 448.544 4.880 30 10 IJEE CCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O 2321836257 RMULMEGCIXIXSB-CYBMUJFWSA-N 431.282 4.704 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1F)O3)CN(Cc1ccc3c(c1)OCO3)CO2 2322099188 YALJGYWERJPCOG-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)OC(=Cc1c(F)cccc1Cl)C3=O 2322115043 XTXCCVAHUOUFET-UHFFFAOYSA-N 444.934 4.979 30 10 IJEE CCCCOCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)cc1)C3=O 2322145446 GWKDJJPFIYCTSE-UHFFFAOYSA-N 437.536 4.979 30 10 IJEE COc1cc(C=NNc2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1OCc1ccccc1C 2322922990 YXKPCCHPRCCFOY-UHFFFAOYSA-N 435.436 4.635 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3nccs3)c2)cc1Cl 2323310371 ZWVMGFMRGOCVLS-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE Cc1c(OC(=O)c2cccc(OC(=O)C(C)C)c2)ccc2c1OC(=Cc1ccncc1)C2=O 2323914748 NFNZLKRFHNBGML-UHFFFAOYSA-N 443.455 4.787 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(OCC)c1 2325551100 LQMQAOPYHQFOQB-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325627930 DZEQUHCSPNWCOS-AWEZNQCLSA-N 448.406 4.756 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccccc4C)c3C)C2=O)c1 2325714046 APHRTPRUNPTULC-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2326661151 NTBXPAMGNSHLKS-UHFFFAOYSA-N 435.553 4.682 30 10 IJEE CSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(Br)cc1 2326958124 AWLSPFFQSBGRGF-UHFFFAOYSA-N 445.386 4.965 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2cccn2C)c1 2328453844 LKANSPMZUOBOJU-UHFFFAOYSA-N 446.536 4.599 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccnc2)cc1 2329241470 SVJKAOMARBZVEJ-UHFFFAOYSA-N 429.549 4.755 30 10 IJEE CCCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329353495 ZUAWRYFEERVIMZ-UHFFFAOYSA-N 445.932 4.941 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccco2)cc1 2330075822 WASCDNYIHCDNLC-SFHVURJKSA-N 445.548 4.944 30 10 IJEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2330200270 ZIHCIQKLCRCKAS-UHFFFAOYSA-N 443.370 4.692 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccs1 2330597368 VHIYFCXYSRMPMV-UHFFFAOYSA-N 433.628 4.691 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccc(O)cc2)c1 2330643097 QPLHLSICINAVAY-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE Oc1nc(CSc2nnc(-c3ccccc3)n2N=Cc2cccs2)nc2ccccc12 2330683314 SZZDARRJTRGTHL-UHFFFAOYSA-N 444.545 4.830 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 2330794214 BFIRPKSQVFOILH-UHFFFAOYSA-N 448.431 4.512 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1c(F)cccc1Cl 2330800458 PPDCGDHWTLQEJR-UHFFFAOYSA-N 439.988 4.502 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)c1 2331036158 WXSPKOXIHXGOLN-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1 2331066190 XHPXMPLYCLQQJW-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccccc1F 2331326219 MTEGBQKKQSOBLK-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE CCOc1c(Br)cc(C=Nn2c(CC(C)C)nnc2SCC)cc1OC 2331445869 VQGCEOLFMNOCBI-UHFFFAOYSA-N 441.395 4.641 30 10 IJEE CCOc1c(C=Nn2c(COC)nnc2SCc2ccccc2Cl)cccc1OC 2331577985 YCJNOZZQIIBORR-UHFFFAOYSA-N 446.960 4.660 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(OCC)cc2)o1 2331695911 ZLXPUCWJRFMYFT-UHFFFAOYSA-N 442.541 4.744 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1c[nH]c2ccccc12 2331709666 ZDCXPJSQWDDWGA-QGZVFWFLSA-N 446.580 4.735 30 10 IJEE COC(=O)c1nc(-c2ccc(C)cc2)oc1NN=Cc1cc(Cl)c(OC)c(OC)c1 2331937725 ULSWWIQZAXYONP-UHFFFAOYSA-N 429.860 4.553 30 10 IJEE CCOc1ccc(C=CC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)cc1 2332149054 ZEHGYEHYPBMJMO-UHFFFAOYSA-N 442.306 4.555 30 10 IJEE CC#CCN(C[C@@H](Cc1cccc(Br)c1Cl)NCC)C(=O)OC(C)(C)C 2337911802 WOAQFZLYYBDYPW-MRXNPFEDSA-N 443.813 4.884 30 10 IJEE COC(C)(C)C#CC(=O)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2338377612 AGHFTIZTDYWXEL-MHZLTWQESA-N 444.527 4.876 30 10 IJEE C[C@H]1C[C@H](N(C)c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1Cc1ccccc1 2339539391 HALDFGANKZMRSY-REWPJTCUSA-N 433.405 4.825 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)n1 2362163390 FBESFWRUOAMURP-BIHRQFPBSA-N 448.416 4.509 30 10 IJEE CCCN[C@H](C#CC1CC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362736315 HYLUBBYELZSDJD-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE CC(C)(C#N)c1ccnc(Nc2ccc(I)cc2Br)c1 2363653458 AGEHLJOIEJRARR-UHFFFAOYSA-N 442.098 4.993 30 10 IJEE CCCC#CC[C@@H](NCCC)[C@H](O)c1sc(Cl)cc1I 2366648714 UMXIQWLFHIYXAN-OCCSQVGLSA-N 425.763 4.601 30 10 IJEE Cc1cc(CN2C[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369736868 FJWRQTUNCAUALH-PKTZIBPZSA-N 448.460 4.637 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)C1CCCCC1 6671024 FEBRHHZDOLEQPN-UHFFFAOYSA-N 426.532 4.851 30 10 IJEE C=CCOc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)c(Br)c1 9925710 BWEBZSCJSRVOIB-INIZCTEOSA-N 432.314 4.824 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)Nc1ccc(Cl)cc1 20905239 SPQGYSMURYVOCB-FSJBWODESA-N 436.928 4.788 30 10 IJEE CCOc1ccc(N/C(=N/C(=O)c2cccc(C)c2)NCCc2c(C)nn(CC)c2C)cc1 32973141 ANTOYHHJESTIBH-UHFFFAOYSA-N 447.583 4.668 30 10 IJEE C=C(C)n1c(=O)n(CC(=O)N(COCC)c2c(C)cccc2CC)c2cc(C)c(C)cc21 40311306 ZMHKEVVBCWHGJW-UHFFFAOYSA-N 435.568 4.808 30 10 IJEE CCc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc5c(c3)OCO5)CO4)C2=O)cc1 41659074 MRMYMHDZBAKBQL-GATIEOLUSA-N 441.483 4.946 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/N=C\c2ccccc2)N1Cc1ccco1 47137313 TXQREQVJSCJSGU-PLKVVUSUSA-N 432.461 4.694 30 10 IJEE CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccccc4OCC)CC3)c2c1 64473964 WITAUFQHLPOAMC-UHFFFAOYSA-N 444.535 4.759 30 10 IJEE COc1ccc(-c2csc(N3N=C(C)/C(=N\Nc4cccc(Cl)c4C)C3=O)n2)cc1 100341463 GYSJVCPAXXCRBC-NCELDCMTSA-N 439.928 4.971 30 10 IJEE CN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 105535073 YNWNTOZXDNJTMU-KRWDZBQOSA-N 436.364 4.882 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2cccnc2)cc1 170002884 UTSQSVQYMBHVRN-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1c[nH]c2ccccc12)c1cccc(Cl)c1 170077880 KVPMFIIXYIMHGS-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE CCCOc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170112122 QDSHVRYHALJNGP-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2OC)cc1 170123466 AOPIACXSPARQMJ-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(O)cc1 170135999 WANQVYVKACNRHL-QFIPXVFZSA-N 437.536 4.613 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@@H]1c1ccc(O)cc1 170137220 AGSXANNYWSZQAX-IBGZPJMESA-N 441.867 4.789 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143554 WZDNAYKDFUTYPS-LADGPHEKSA-N 427.500 4.906 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(OC(C)C)c1 170153192 WLXSWTSCERGAIB-JOCHJYFZSA-N 437.492 4.581 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)cc1Cl 170169093 KITMLAMVQGGJIL-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1C(C)(C)C 170192808 RZILPOYMYRWZLB-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1C(C)(C)C 170207968 IYQSXKDQWBDBKY-QFIPXVFZSA-N 446.503 4.759 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)c1 170221671 FXLVVBHLELBVOO-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1 170233653 LBAJUEQSVMCKMN-QHCPKHFHSA-N 437.536 4.867 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(O)c2)c1 170258637 VMLCVTNIYCJJRJ-FYSMJZIKSA-N 441.483 4.807 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)cc1Cl 170279701 QVPPWVQWGPCJLB-GOSISDBHSA-N 429.881 4.782 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccco2)ccc1Cl 170281536 ZASZKZCYAHKTAO-IBGZPJMESA-N 427.815 4.864 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccco1 170286043 JZXZXRXIMARVQH-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305294 NUMBTBHVHLUDEU-QHCPKHFHSA-N 440.455 4.568 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1sccc1C 170313061 BGVUYJXABOKRAL-KRWDZBQOSA-N 431.897 4.681 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(O)c1)c1ccncc1 170387661 SOEFWWBPJDOLKO-LJQANCHMSA-N 440.377 4.589 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)cc1OC 170434264 MQQSAHZCGGUWBQ-HXUWFJFHSA-N 429.900 4.791 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCOc2ccc(Cl)cc2)nc2ccccc12 170509496 ACVICMRIOQQIOI-UHFFFAOYSA-N 431.883 4.662 30 10 IJEE CC1(C)OB(c2ccc3c(cnn3[C@H]3CCCCO3)c2OCc2ccccc2)OC1(C)C 196868679 KTRMHEHBGJSTRM-JOCHJYFZSA-N 434.345 4.614 30 10 IJEE O=C1N/C(=N\N=Cc2c[nH]c3ccccc23)S[C@H]1Cc1ccc(SC(F)F)cc1 245285356 WQZWNIKSEYOWQK-KRWDZBQOSA-N 430.505 4.647 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 410347117 YUIPIAIRDGZVOR-HXUWFJFHSA-N 427.342 4.811 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 463753017 DODDZFJABNWKOA-JOCHJYFZSA-N 440.927 4.502 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 526486749 OQVYGRGBLSXYBX-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2cnnc2SCc2cccc(C)c2)cc1OC 526808861 VDCPKKYCKCSRHW-CFRMEGHHSA-N 426.542 4.567 30 10 IJEE Oc1ccc(Br)cc1/C=N\n1cnnc1SCc1c(F)cccc1Cl 526816436 COVYGEMINQCIMC-YXSASFKJSA-N 441.713 4.713 30 10 IJEE C=CCn1c(SCc2coc(-c3ccc(C(=O)OC)cc3)n2)nnc1-c1cccs1 542006018 WGYLSDRFXNISGL-UHFFFAOYSA-N 438.534 4.927 30 10 IJEE C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2cc3sccc3s2)CC1 549250681 IAKJZNKIHJSWBM-HNNXBMFYSA-N 429.615 4.606 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 549263352 YXWKYEPBPSPWBO-VXKWHMMOSA-N 436.943 4.762 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 559004627 OMBLXSNNLCRDPD-UHFFFAOYSA-N 435.478 4.719 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC(OCC2CCCC2)CC1 565085178 HBGGNUJLKIRVGV-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C)cc1)Cc1ccc(C#N)cc1 586157090 CVGPCOIRPCDEPP-UHFFFAOYSA-N 440.952 4.920 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 608840952 GZLDFQAZWGLEIT-KRWDZBQOSA-N 435.459 4.558 30 10 IJEE COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)NCc1ccc(C#N)cc1F)CC2 609253556 AYPCBDRJXVSVMB-VWLOTQADSA-N 445.494 4.572 30 10 IJEE COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)o2)c([N+](=O)[O-])c1 731563530 RQVCJGAHRMNFTM-XVNBXDOJSA-N 434.326 4.879 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(Cc2oc3ccccc3c2C)C1=O 734300061 KHDZNUXYGGOCJQ-HXUWFJFHSA-N 435.549 4.626 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN(C)Cc2ccc(Cl)nc2)c1=S 764879150 VXBYKBFJIYKXCX-UHFFFAOYSA-N 429.977 4.625 30 10 IJEE N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 774300616 GDEVNTDXXUCLPI-AWEZNQCLSA-N 436.336 4.746 30 10 IJEE Cc1nc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(-c2ccccc2)s1 778857186 FRVNRBAYDMHZGA-GFCCVEGCSA-N 437.546 4.724 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CCCN1C(=O)OC(C)(C)C 790522679 CLJUWVXMVHBCBG-CYFREDJKSA-N 440.544 4.699 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 849524300 HJFRKSOAIGOONE-RPBOFIJWSA-N 446.620 4.510 30 10 IJEE CCOc1cc(/C=C2\SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc(Cl)c1OC 1084021515 ZBNKWIKXKOLIHN-RUTCVDLDSA-N 446.912 4.679 30 10 IJEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2cccc(Br)c2)n[nH]1 1084125206 MXKAKAVPGRBUDE-UHFFFAOYSA-N 439.383 4.522 30 10 IJEE N#Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)ccc1Br 1129470178 BCUFTVUKEABUOF-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE C=C(CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 1129587527 HEHNXDUUZVSTNZ-UHFFFAOYSA-N 438.487 4.820 30 10 IJEE C=CCc1cc(C(=O)N2CCc3cc(F)cc(Br)c3C2)cc(OC)c1OC 1132011460 NRXYOOVDEHDUJP-UHFFFAOYSA-N 434.305 4.532 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCSc1c(C)[nH]c2ccccc12 1159973643 IBHFUVGWGUHWPH-LJQANCHMSA-N 431.602 4.934 30 10 IJEE CCOC(=O)c1c(NC(=O)COc2ccc(C#N)cc2F)sc(C)c1C[C@H](C)CC 1165832058 GBTWJFIASGDMFU-CYBMUJFWSA-N 432.517 4.850 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2CCc3ccccc3C2)cc1OCC 1177175165 BTCBFGFIJBJPBM-UHFFFAOYSA-N 445.401 4.561 30 10 IJEE COc1ccc([C@H](C)NC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c(Br)c1 1219021743 GBSGSPMTJHLARJ-ZDUSSCGKSA-N 431.334 4.587 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(Oc4ccccc4)c3)CC2)c(F)c1 1220776297 HBTFZYSXAPMIRT-UHFFFAOYSA-N 430.483 4.521 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)Oc1cccc(F)c1 1229012219 ICMBENVKNXWKNS-CQSZACIVSA-N 439.300 4.892 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)cc(OC)c1OC 1274778939 ZNWBBBSEXLKESA-UHFFFAOYSA-N 445.515 4.719 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](CC)C1 1286552796 SHTAQKZJUPKUOU-WWMYMODYSA-N 430.980 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H](C)CCC 1286553424 UYOHIQZZTTZXMT-SVMVAKDDSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@@H](COCc3ccccc3)C2)nnc1C(C)(C)C 1286565107 JBQKCQMRPNLODL-VJBWXMMDSA-N 438.616 4.600 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N[C@@H](C)c2ccccc2)CC1 1286662736 WQTPKOMVCJSDIJ-NRFANRHFSA-N 444.627 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1286674430 PTBBNZSIPWVPNO-UHFFFAOYSA-N 436.604 4.623 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(C2CCC2)CC1 1286685767 ZOWFMMDJVZUSJP-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1286701479 VXBURXMAQPMKGT-RTBURBONSA-N 434.588 4.514 30 10 IJEE C=CCCOCCn1c(N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)nnc1C(C)(C)C 1286714788 WLTIAOYOBRHAPV-FGZHOGPDSA-N 426.605 4.772 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286746301 VFDOIWNDRHTKIS-SZPZYZBQSA-N 439.648 4.557 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CC[C@@]3(CCSC3)C2)nnc1C(C)(C)C)C(C)C 1286752492 XWIJRFKVJRTCJX-HYBUGGRVSA-N 431.694 4.608 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@H]2CCCCO2)C1 1286803867 HUOFTTMJWKGDKE-MOPGFXCFSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1cccs1 1286832287 RKRJMBYBSZKODR-APWZRJJASA-N 442.610 4.969 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2N(C)CCCC2(C)C)cc1 1289860507 AYVGTKODXKCUOD-CTNGQTDRSA-N 440.661 4.595 30 10 IJEE C#Cc1cccc(N(CC)C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1292930225 PFFCXCLRJBWTPF-IBGZPJMESA-N 438.527 4.948 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCCS1 1300441133 FKTJRWWRYUZIID-CQSZACIVSA-N 439.810 4.716 30 10 IJEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1300490619 HEVVVHSAULPQBV-AVYPCKFXSA-N 437.441 4.689 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCSC1 1300557178 QHCZDVVIKFPJFU-FCHUYYIVSA-N 436.625 4.641 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCSC1(C)C 1300606623 PPINDHQYMYKMIX-INIZCTEOSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1ccc(Cl)s1 1300881496 OSGOHMUSPPCVDH-DNVCBOLYSA-N 431.993 4.996 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1300907920 VBKCWLZVUPOWRL-UHFFFAOYSA-N 442.608 4.826 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(COC(C)(C)C)c2)CC1 1301087304 AWKXJKPNHHWSSQ-UHFFFAOYSA-N 431.584 4.784 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301208539 YMSUFOJDTLXTBN-QUCCMNQESA-N 445.405 4.988 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C1CC1 1301241480 RFSXFTQFABEYFJ-UHFFFAOYSA-N 425.758 4.552 30 10 IJEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1301245687 HLAMKJWVJOXRCQ-UHFFFAOYSA-N 436.556 4.728 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCOC(C)(C)C)C1CC1 1301320902 RCNLPZHUOORZLD-UHFFFAOYSA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1301331554 OXGZMAYUKKYUEO-OAHLLOKOSA-N 427.549 4.720 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@H]1CCCN(C(C)C)C1 1301334394 KWCDUKZGLCWLLG-QFIPXVFZSA-N 425.621 4.723 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1301390122 DJFCUAMDKRHYAC-UYAOXDASSA-N 434.544 4.552 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCC2CCOCC2)C1 1301547216 XAKLDAMCEDTQMX-LJQANCHMSA-N 430.980 4.587 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 1301623438 NIRSGXSKBHVSOV-IAGOWNOFSA-N 428.593 4.597 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(Br)c2)c1 1309151991 NAHYFXCPLHQWFA-UHFFFAOYSA-N 426.335 4.826 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2ccc(I)c(Cl)c2)c1 1310189026 XFZVLASBYIBCBP-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCCSc1ccccc1Br 1312045972 MOOHEDUWCQAJKG-CRAIPNDOSA-N 427.408 4.602 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)C2CCCC2)cn1 1313672807 HLRGKYWJOLZPCH-UHFFFAOYSA-N 443.599 4.875 30 10 IJEE COc1ccc([C@@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2ccccc2Cl)cc1 1336915815 QTSFMUIKOPJAPX-LJQANCHMSA-N 439.924 4.562 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4cccnc4n3)s2)c(C(F)(F)F)c1 1350369303 FKPFKYOJFDAWEC-UHFFFAOYSA-N 439.422 4.820 30 10 IJEE CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1352964640 AIAFMDPMJDIECA-AWEZNQCLSA-N 436.726 4.530 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C)Sc4ccc(Cl)cc43)cc2C1=O 1354803636 SHQWUPFOFWYSCP-ZDUSSCGKSA-N 426.925 4.653 30 10 IJEE Cc1ccc(F)c(-n2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c3c2CCC3)c1 1355615000 ABNFHTNOHDMVML-UHFFFAOYSA-N 430.527 4.979 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1ccccc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1356594114 CHBRLIYTCLXBKE-KRWDZBQOSA-N 440.590 4.845 30 10 IJEE C#CCCCCn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1358917585 VIZSEEPBSBGVOH-UUOWRZLLSA-N 446.542 4.598 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1359015430 SPLZGYIWWSNOCB-FNZWTVRRSA-N 439.623 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCN1CCC(C)CC1 1359073378 NNRLGHZIXFXMOY-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCN2CCCC)CC1 1359162498 SIJWBOORCNMIME-HXUWFJFHSA-N 429.012 4.805 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(CC(C)C)c2C)CC1 1359176368 VTBZODAZTUURAM-UHFFFAOYSA-N 439.995 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC[C@H]21 1359184560 SIAWLWSFPUDEJD-SJLPKXTDSA-N 426.561 4.562 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(Br)cc2)C1 1359314105 WCEYSMJUWDCYFH-LPHOPBHVSA-N 433.394 4.578 30 10 IJEE CCOC(=O)C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(F)cc1 1434907736 BLZCTSMAMALUBL-DEOSSOPVSA-N 446.478 4.701 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Br)ccc2C1 1447647687 FBPQWFQKKKTIMK-GOSISDBHSA-N 437.378 4.583 30 10 IJEE CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n[nH]1 1452096277 CPERWRBOROLEFA-UHFFFAOYSA-N 434.521 4.781 30 10 IJEE Cc1cccc(Oc2ccc(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)nc2)c1 1458090781 DQPOUBANOSLDCJ-UHFFFAOYSA-N 428.492 4.569 30 10 IJEE C=C[C@H](COC)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1459312771 LFZQGIFVXDWPIO-WERVVEIQSA-N 433.614 4.714 30 10 IJEE C#CC[C@]1(C(=O)Nc2ncc(-c3ccccc3F)s2)CCCN1C(=O)OC(C)(C)C 1459475300 KKCPOCWSYOQVBM-JOCHJYFZSA-N 429.517 4.681 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1464713192 GLHXWGHGJPFCIJ-UKILVPOCSA-N 426.988 4.802 30 10 IJEE C#Cc1ccc(NC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)c(Cl)c1 1467402872 JUMWBYPVQSAPEO-UHFFFAOYSA-N 447.720 4.608 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)c1C#N 1468079475 FUGUHAHMIVDSPC-UHFFFAOYSA-N 427.520 4.926 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2nccc(-c3cccnc3)n2)CC1 1470490547 JRCFQLDTXQFTCX-HSZRJFAPSA-N 427.552 4.615 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1475107580 FRXBRKFHVWONBW-WBVHZDCISA-N 428.863 4.845 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1475841536 PHPSSEFZTRTSLO-MDPIYQRISA-N 447.645 4.904 30 10 IJEE C=C(C)CONC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1478908122 FBJXXPIEIGTSDJ-UHFFFAOYSA-N 434.367 4.918 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1ccco1)N(CC)CC 1507521732 BIUNRBQMKNMXGP-UYAOXDASSA-N 431.540 4.825 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 1507743427 BMBNTJNHZRQXPF-UHFFFAOYSA-N 443.667 4.824 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)c1nccs1 1507748566 OZRXIBIQTYNRCH-INIZCTEOSA-N 437.594 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1cccs1 1507769478 IDFZXBOPRJBCBT-RUZDIDTESA-N 445.592 4.760 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1507830064 PVUIKCVJNQUJQA-UHFFFAOYSA-N 447.974 4.818 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1507832603 HJIRNHIQOWDDAU-PGRDOPGGSA-N 445.007 4.831 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC(C)(C)CC1 1507839802 HFXWHCRBMVOIPV-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC)C1 1507865681 GZGPAPDFVDHRPU-KRWDZBQOSA-N 440.979 4.615 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1507915543 CKECDMBDWIBQAB-GOTSBHOMSA-N 438.616 4.960 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C)=C(C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1507927722 BXKKIBYKNDWGSM-JYFHCDHNSA-N 436.600 4.837 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc3cccnc23)n1Cc1cc(C)nn1C 1507928950 LLOWERNRZFJATP-UHFFFAOYSA-N 429.572 4.766 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CC(C)(C)C(F)(F)F 1508007594 DHVGZZIJWZCJBA-INIZCTEOSA-N 426.458 4.702 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC2(C)CC2)C1 1508129216 QFJARCHWTUTPIC-INIZCTEOSA-N 437.371 4.745 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1508153382 ZCPFYIMVRZHDPU-KJXAQDMKSA-N 425.646 4.769 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1508157963 CNVASDFYOSDWHY-FOIQADDNSA-N 434.556 4.841 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc4ccccc4n3)nnc2N(C)[C@H](C)CC#N)C1 1511999421 CFPIYTISMMUAOE-QHAWAJNXSA-N 445.615 4.600 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@H](C)CC#N)n1Cc1csc([C@@H](C)OC)n1 1513200787 DWIXEVDLMQLNGK-MBOZVWFJSA-N 438.601 4.771 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCC)CCOc1c(Cl)cc(Cl)cc1Cl 1519285264 WUOYWBROXSUPJV-QGZVFWFLSA-N 435.779 4.735 30 10 IJEE C=CCN(C(=O)Cc1c(C)nn(-c2ccccn2)c1C)c1nc(-c2ccccc2)cs1 1522117967 ALZBMJJFEGASPU-UHFFFAOYSA-N 429.549 4.769 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 1524760685 ZYCDRPFEDIOVHD-HXUWFJFHSA-N 448.592 4.911 30 10 IJEE C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(Br)cc1C#N 1525270746 ASEPDRLGCUTEJE-INIZCTEOSA-N 426.358 4.625 30 10 IJEE C#CC[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1530735026 LJVXTVXELJPWBS-DHUDHEQZSA-N 440.543 4.888 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2C)cc1 1535142922 YOIVKKBBZRKZCI-UHFFFAOYSA-N 431.305 4.963 30 10 IJEE N#Cc1ccc(F)c(C(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 1538601693 GNZOQKVJLDLMJT-UHFFFAOYSA-N 430.479 4.712 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)C(C)(C)C)cc1 1539006852 SIRCZXWGDDYSBC-UHFFFAOYSA-N 440.496 4.777 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2ccco2)C1 1539094672 SOSCZCFKVJEAKA-OFNKIYASSA-N 434.540 4.619 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCSC 1539668437 ZJQXVYZHUMBINA-GOSISDBHSA-N 437.654 4.548 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2csc([C@H](C)OC)n2)CC1 1539861174 PTHCAVVQRSMVBW-QXAKKESOSA-N 445.633 4.565 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1539894138 AOZIEKYXQSJECD-YADARESESA-N 427.662 4.843 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1539903309 WCCFKXYUKICFKZ-QGZVFWFLSA-N 445.583 4.510 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCOC1CCCCCC1 1540125856 BEXISCZGFYRXRZ-UHFFFAOYSA-N 432.572 4.667 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21 1540301192 DCPADJZWDXLRTB-GCJKJVERSA-N 433.426 4.683 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(Cc1ccco1)C(C)C 1540856151 WGCQVUALYXBKDQ-UHFFFAOYSA-N 431.334 4.910 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1540881144 ZQYZINUPBDCHSD-FQEVSTJZSA-N 437.613 4.911 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2nccs2)C1 1540912088 MHAZBCKINQCEQJ-QGZVFWFLSA-N 448.017 4.552 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1540917138 ONVIJAXTBODSKB-JOCHJYFZSA-N 449.064 4.999 30 10 IJEE C=CC1(CC(=O)Nc2nc(C)c(Cc3ccccc3)s2)CN(C(=O)OC(C)(C)C)C1 1542498360 WELCBSDBLRFSNP-UHFFFAOYSA-N 427.570 4.794 30 10 IJEE Cc1csc([C@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)C[C@@H](C)C#N)n1 1542849132 ACBAAVNXLWULCG-JKSUJKDBSA-N 433.585 4.515 30 10 IJEE CC(C)c1ccc(OC2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)cc1 1543131553 AAUFTLQSXMDPRA-UHFFFAOYSA-N 433.552 4.860 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(COc2ccccc2)c1 1545003822 OPJQJFGTIPLJMC-NRFANRHFSA-N 444.959 4.918 30 10 IJEE CCCc1c(NC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)cnn1-c1cccc(C#N)c1 1556254636 CCNOKVOZFFLGNC-HXUWFJFHSA-N 429.307 4.675 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 1556575481 RMWZELRDVJYYSV-XZOQPEGZSA-N 443.996 4.983 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4)c3)cc2n1 1558513020 LQCQODWTNCUIEM-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCN(c3ccccc3F)C2)cc1OC 1560487194 BDMHMOXTCCFFCB-MRXNPFEDSA-N 449.364 4.778 30 10 IJEE Cc1cc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)ccc1Br 1562155698 GQLSFVVVEYYIPU-UHFFFAOYSA-N 441.354 4.998 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 1562263223 JXVNORAGUATSRD-HXUWFJFHSA-N 434.584 4.628 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 1563369149 GIGGLPSUOCOCJL-HXUWFJFHSA-N 425.573 4.949 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(CC)Cc2cc(F)ccc2Oc2ccc(Cl)cc2)C1 1565346458 PZGCZBINWKEMSF-OAQYLSRUSA-N 443.950 4.901 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(OCCN(CC)CC)c2)CCCN1C(=O)OC(C)(C)C 1586372504 HQOPDFBHJAXZSO-VWLOTQADSA-N 445.604 4.692 30 10 IJEE Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(F)cc(C#N)c3)c2)c1 1587329908 HXDBSHDNZMTNAL-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)[C@@H](C)CC 1587568096 MRJIEVGGIJAJDF-UAVUOLJFSA-N 437.613 4.632 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CC)CCOCC1 1587909723 RNLSWURFQVCKHD-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H](C)N1CCC[C@H](C)C1 1588550773 XOIIZAPAICZNHJ-SFTDATJTSA-N 437.607 4.835 30 10 IJEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1cccc(F)c1 1589427199 DAMZOOWCJHAAMF-IBGZPJMESA-N 442.336 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@H](CC)C1 1589504385 ICLFOTMSNVOSCA-HPNQWNLUSA-N 448.970 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1Cc1ccc(N2CCCC2)nc1 1589687287 AJPXHFQTWFQRDV-UHFFFAOYSA-N 446.599 4.611 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2CCC[C@H]21 1593770149 XKMWWXKABYGORV-RBUKOAKNSA-N 428.602 4.551 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2scnc2C)CC1 1594013003 APZLZMSFRJPPAA-QGZVFWFLSA-N 427.549 4.721 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2cccnc2OCC(F)(F)F)CC1 1594237957 ZKHFNVQGTNDVET-UHFFFAOYSA-N 435.494 4.723 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1594408643 MEVFXMSRCQEFBS-HSZRJFAPSA-N 435.660 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1594504438 RTJOXEJKYMVCBC-HXUWFJFHSA-N 444.023 4.620 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1594590977 HFDRNRMICJBQJT-FQEVSTJZSA-N 439.604 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC(F)(F)Br 1595149308 MPMYORCYTJFBII-UHFFFAOYSA-N 440.317 4.582 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)CC 1595156247 JNYDZNBDEHYPHQ-XMMPIXPASA-N 448.596 4.546 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1595377288 YXVFXPGRMZKZGI-LPHOPBHVSA-N 445.995 4.914 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1c(F)cccc1OC(F)F 1597282123 BNNSSXZKYNUJRU-QFIPXVFZSA-N 435.494 4.786 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1611475734 FBLVXTGCXCLTAQ-VIFPVBQESA-N 432.336 4.828 30 10 IJEE Cc1cccc(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C[C@@H](C)C#N)n1 1612219336 FOYWVUWAAVGZKX-AVRDEDQJSA-N 446.599 4.967 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)c1 1621585623 BWLYGWZEZXKDOV-UHFFFAOYSA-N 435.545 4.696 30 10 IJEE C=C[C@H](C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1)c1ccccc1 1624022239 ZVCGIDSUPMQUED-QFIPXVFZSA-N 448.544 4.559 30 10 IJEE C=CC1(CC(=O)NCc2ccc(OC3CCCCC3)cc2)CN(C(=O)OC(C)(C)C)C1 1626511823 RHVBMOMGTGMGHT-UHFFFAOYSA-N 428.573 4.828 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3C[C@H](C(=O)OC(C)(C)C)c4ccccc43)cc2n1 1627664111 CZWAGAWYUQBCNV-UNMCSNQZSA-N 432.524 4.914 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1 1631137788 VOMBOBJUCMZWHO-PZJWPPBQSA-N 441.572 4.523 30 10 IJEE C#CCN(C(=O)N[C@H](CC)C(C)(C)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1632119946 JFMDEIRNONXYLF-JOCHJYFZSA-N 441.616 4.787 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)C(=O)OCC 1636821320 FSUIQRAWAAREDC-ICSRJNTNSA-N 446.341 4.583 30 10 IJEE Cc1cc2c(NC(=O)CCc3nc4cc(Br)ccc4s3)n[nH]c2cc1C#N 1640760269 GPWXMMVSJTUNAY-UHFFFAOYSA-N 440.326 4.687 30 10 IJEE CN(C(=O)CN(Cc1ccc(C#N)cc1)C1CC1)[C@@]1(c2ccccc2Cl)CCCCC1=O 1645015270 CHJDOXFCNLCYDV-AREMUKBSSA-N 449.982 4.673 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)cc1OC 1652778661 FDMXLKOBMPJEIN-QAPCUYQASA-N 431.964 4.875 30 10 IJEE COc1cc(CN2CCO[C@@](C)(c3ccccc3)C2)ccc1OCc1cccc(C#N)c1 1653767541 HGIZCOQQQRQBKK-HHHXNRCGSA-N 428.532 4.893 30 10 IJEE Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 1653804595 DTKPEOIXNNCYFL-UHFFFAOYSA-N 445.466 4.845 30 10 IJEE C=C(C)CN(CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1)Cc1ccccc1 1654353398 NKGOUFKUFFZOHQ-UHFFFAOYSA-N 441.575 4.942 30 10 IJEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(Cc2ccc(Br)cc2C#N)[C@@H]1C 1654876342 DFAGDQCOMYHYOX-SPYBWZPUSA-N 436.394 4.834 30 10 IJEE O=C(NCCc1ccc(OCC(F)(F)F)nc1)Nc1cc(C(F)(F)F)ccc1F 1658953315 AINLCUJPVYNAIT-UHFFFAOYSA-N 425.304 4.545 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 1665968794 GXGGJZWMZSJAOH-FXAWDEMLSA-N 447.988 4.604 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)cc1Cl 1667397770 GQQVFHJCHVAUMO-FQEVSTJZSA-N 443.898 4.743 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 1667896666 QRAUDLWCFHWXPX-UHFFFAOYSA-N 437.584 4.986 30 10 IJEE Cc1ccc(-c2ncccc2NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)s1 1668960676 DRRRDXOENCPXHP-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE Cc1ccc(CNC(=O)Nc2scc(C(C)(C)C)c2C#N)c(OC[C@H]2CCOC2)c1 1670293987 GEIYMHVMXLURFA-INIZCTEOSA-N 427.570 4.963 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1671851389 FNVKVMFMMNOFRF-MDYRTPRTSA-N 437.531 4.774 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC[C@H]1OCCc2ccccc21 1672712285 NZJWJGKBOXPBQS-LJQANCHMSA-N 431.330 4.840 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3C[C@H](C(=O)OC(C)(C)C)c4ccccc43)cc21 1675098787 NWTWIPAJCSQIMM-LEWJYISDSA-N 432.524 4.914 30 10 IJEE Cc1cc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc(F)c1Br 1678404124 DOXCZFQLJRSZDG-UHFFFAOYSA-N 447.308 4.675 30 10 IJEE Cn1cc(CNC(=O)NCC2(Sc3ccccc3)CCCC2)c(-c2ccc(C#N)cc2)n1 1678620125 FTZOPUQFOMJQHC-UHFFFAOYSA-N 445.592 4.863 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)cc21 1680802462 RAGIPTLKYUCXER-DEOSSOPVSA-N 433.556 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 1682155658 BZEPXDBYVJXVTL-LMNJBCLMSA-N 426.479 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)Cc1cccs1 1689833201 FQIPNZVJWJHMBT-CVEARBPZSA-N 430.524 4.945 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN1C1CCCCC1 1689840433 ZHJPPQIBHPENRW-XLIONFOSSA-N 443.998 4.993 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccc(C)cc1 1690006678 WWNPGHUEYUSUFF-FQEVSTJZSA-N 444.604 4.592 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(C)cc1OCC1CC1 1690050907 FWXNSLGIEXMSNZ-UHFFFAOYSA-N 430.596 4.619 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1690059895 ZPMHYBNRTADENE-FQEVSTJZSA-N 439.604 4.583 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCC(C)(C)C1CC1 1690091475 VDEUDGPITAWSCR-UHFFFAOYSA-N 431.559 4.869 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H](c1ccsc1)N(C)C 1690210893 MWUBCDBURXKQIE-JYFHCDHNSA-N 447.652 4.810 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1690224213 GUSYRETVIJRBSF-CYBMUJFWSA-N 445.283 4.641 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1690287681 PDQQPUUAAMGMRV-PCCBWWKXSA-N 443.636 4.985 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]2CC[C@@H]21 1690320009 GPSJLGQNXBPZQI-MOPGFXCFSA-N 428.602 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](Cc3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1690439403 FDPYNPRTURKNLF-ATIYNZHBSA-N 438.616 4.602 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1690486547 LYSHCKGASZZXRM-FQEVSTJZSA-N 445.007 4.510 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1690500576 ZNQHIHUBNDWMAW-RUZDIDTESA-N 430.556 4.525 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@](C)(O)c1cccs1)C1CC1 1690537047 JIVORUZTGNLLKD-MWTRTKDXSA-N 442.560 4.681 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCN(C(C)C)C1 1690599362 VXMLYDLYWXWJOE-OAQYLSRUSA-N 432.616 4.649 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CCCS1 1692825684 HXYHBEXVABCGCO-PDIWNELESA-N 443.592 4.973 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1694028807 BZTZVOBVSBJHGL-URXFXBBRSA-N 434.632 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)c1ncc(C)s1 1705503600 ZSYLUOWOSDVPIX-CABCVRRESA-N 429.977 4.537 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1705512905 SMEZUJUXUCCAMH-AVRDEDQJSA-N 431.565 4.648 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1705526837 MUYTUPMWPUVEJG-TZIWHRDSSA-N 447.583 4.626 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N(C)C1CC1 1705668219 HEMCKWVYSZDHQE-HEKZAOSPSA-N 435.616 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cnn(C)c1C 1705719917 PORMWVBAZRNZFM-UHFFFAOYSA-N 431.009 4.716 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](CCC)OC)CC1 1705772298 MARMTJSYUSHHMX-IBGZPJMESA-N 449.393 4.591 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2[C@H]2C[C@H](c3ccccc3F)C2)CC1 1705777043 VZGRIPWSNISAEP-MISYRCLQSA-N 428.552 4.662 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC2(CCC2)C[C@H]1CC)c1ccccc1 1705795125 CWMWOSLCGUDGKJ-FCHUYYIVSA-N 435.616 4.935 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1705802169 CWAGGPXBZJUPGS-UWJYYQICSA-N 444.542 4.700 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705808937 DUVFZNZZUIRARG-VWLOTQADSA-N 442.604 4.863 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705838228 HLNZDTBMSJAMBK-INIZCTEOSA-N 449.983 4.533 30 10 IJEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2sccc2[C@@H]1CC 1705897776 UBBBSQBVOVOBSZ-CTNGQTDRSA-N 449.624 4.698 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)S[C@H](C)C2)cc1 1705910388 AOXPPFXCMITJFW-HDICACEKSA-N 440.638 4.874 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccc(F)cc1 1706461460 BFMPYLRZSUGMBL-XMMPIXPASA-N 427.568 4.749 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)N2CCC(C)CC2)c2ccccc2n1 1707251076 BQFUEUOCYUAKGN-TZIWHRDSSA-N 445.615 4.518 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1711008870 ALRLSQHNNVCYNG-UHFFFAOYSA-N 435.403 4.580 30 10 IJEE COC1CCC(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 1712033054 AJQKICJEOAKERE-SGHZUCRHSA-N 449.933 4.775 30 10 IJEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1C[C@H](F)c1ccc(Br)cc1 1722389861 MZQOHOIIEQNWCQ-SFHVURJKSA-N 431.353 4.512 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(OCC)CCCC1 1722403915 JGMFOKLDPMXMJJ-UHFFFAOYSA-N 445.405 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCCCC1 1722492739 UGFYRVITYFWKGQ-JQVVWYNYSA-N 428.552 4.919 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOC[C@H](C2CCC2)C1 1722519326 BPDPNXZMJIMLLD-MRXNPFEDSA-N 449.368 4.676 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](C)SC)C1CC1 1722645489 OMPDMCIIJMGJTE-CYBMUJFWSA-N 437.407 4.623 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1CC 1722661481 HHHVRWJCDOEGJX-FQEVSTJZSA-N 437.613 4.692 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C1CC(C(C)(C)C)C1 1722679198 QVWIVHLPCCFYLL-UHFFFAOYSA-N 434.588 4.971 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[C@H]2CC)C1 1722723189 WJZVYIJDRJEWJK-WOIUINJBSA-N 428.552 4.604 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCC[C@H]2CC)C1 1722723190 WJZVYIJDRJEWJK-XQBPLPMBSA-N 428.552 4.604 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(C)C)CC1 1722735281 LVOWRTYFGLQJQN-UHFFFAOYSA-N 428.602 4.508 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1740642363 OTMJRGLAWWNPSG-HXUWFJFHSA-N 446.473 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC[C@H]1C[C@H](F)C1 1740679108 NHIZSIRQKNDGOU-KESTWPANSA-N 441.551 4.551 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740757991 YNTMVBUXNKVLIP-UYAOXDASSA-N 445.007 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC[C@H]1OC 1740767104 PMWXZOBOXHQAAN-BBTUJRGHSA-N 448.995 4.525 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1csc([C@@H](C)OC)n1 1740775247 SCUUOISHKCKJTJ-OAHLLOKOSA-N 447.555 4.762 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[C@H](OCC)C(C)C)CC1 1740817438 FAFMFQFVCAZCNB-QFIPXVFZSA-N 439.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1740848271 GXVNUBBEGNAMOM-KRWDZBQOSA-N 444.576 4.568 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1740856044 OJMAFYRHKXFFAZ-IKGGRYGDSA-N 427.515 4.705 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H]1CCCN(C(C)C)C1 1740914628 WCRMXMHQHADPRM-QHCPKHFHSA-N 434.632 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCCC(F)(F)F 1740926312 YVQNBTWJHWULHD-UHFFFAOYSA-N 432.288 4.567 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1740927639 WDBFXIXKUDZZOD-GMAHTHKFSA-N 436.648 4.911 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)C1 1740970296 IXNOSEGQBVUBIX-QZTJIDSGSA-N 426.458 4.804 30 10 IJEE C#CCCCn1c(N(Cc2ccccc2)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1748762045 FDTPQMMBTIXKOD-OYRHEFFESA-N 449.599 4.631 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1748902081 HBJMKDDQCADWCC-MSNJVRRCSA-N 448.586 4.917 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCCCC1 1748913316 RHJHMKBLNCVBPP-UHFFFAOYSA-N 444.627 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)C 1749065931 DQOQSZNDZKBHFU-CJFMBICVSA-N 443.636 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(F)CCC1 1749080953 YYOZCHJMFWUSNU-FDDCHVKYSA-N 445.583 4.625 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1749211267 WMWWJESCFASWBS-MSOLQXFVSA-N 447.649 4.716 30 10 IJEE COCC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1 1749271933 HONHIEOVCNITOG-UHFFFAOYSA-N 439.604 4.808 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CCOC)CCC2)CC1 1749294210 RZKZSHOUUQIZBJ-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749355455 JLDBGRJEHGLVGT-LLJLJFOGSA-N 445.007 4.974 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1749418102 XCVPRIQZSYPQJF-DFYVNMARSA-N 444.004 4.895 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1749441575 HIUWDOODNIMFJX-UHFFFAOYSA-N 432.494 4.532 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1749441798 IESBSXSXQXQHQD-JOCHJYFZSA-N 442.579 4.529 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1csc(C(C)C)n1)C1CC1 1749510994 PJMHXBGVRQVTSH-UHFFFAOYSA-N 438.557 4.831 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1749527898 VTMSBPDTEUAZEH-QFIPXVFZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC(F)(F)C1 1749552971 MGWBALXBDFCRPJ-SFHVURJKSA-N 429.540 4.953 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1760144780 BAWDMXPLWFCDLI-QFBILLFUSA-N 431.378 4.545 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1CCN(CCC(C)C)CC1 1760165481 UDMGCKMRFLAYDN-UHFFFAOYSA-N 444.627 4.629 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1760225316 MZVISGXJRZPVLH-NWSQWKLXSA-N 437.632 4.615 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CCNc1ncc(Cl)cc1Cl 1760485348 ZLUXOLHYIGKULL-UHFFFAOYSA-N 449.361 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C1CCCC1 1760485513 GMUDNPANONBRFV-UHFFFAOYSA-N 446.624 4.945 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOc1cccc(C(F)(F)F)n1)C(C)C 1764764434 APFZJAYUMKYKPZ-UHFFFAOYSA-N 444.461 4.544 30 10 IJEE N#Cc1ccc(NC(=O)c2nn(CCO)c(-c3ccc(Cl)c(Cl)c3)c2Cl)cc1 1859390283 REDNKOQWFCRODF-UHFFFAOYSA-N 435.698 4.627 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)NC2(Cc3nc4ccccc4[nH]3)CCCCC2)c1C 1860305169 MZLXPJOMNIMLQJ-UHFFFAOYSA-N 433.600 4.947 30 10 IJEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccc(Oc2ccccc2)c1 1861765739 OFNDVGWUYWRGMN-XUZZJYLKSA-N 438.568 4.531 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862395171 NNSOFTYCOXNLAD-QHCPKHFHSA-N 432.520 4.735 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(Br)cc2)cc1C 1862409867 VNWACGLJAQCJHG-LJQANCHMSA-N 442.309 4.507 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862434804 HRKIWIXCROJGDK-FQEVSTJZSA-N 427.928 4.862 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862510119 WVIUNOXKHIYLMS-WAIKUNEKSA-N 436.527 4.893 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccccc1Br 1862512568 UGOFKHIFOVXTQW-GOSISDBHSA-N 430.273 4.661 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC 1862573394 BGRYKWBAHVVUEN-JOCHJYFZSA-N 435.520 4.742 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1 1862580100 DGWVRHIBFVWWNK-FQEVSTJZSA-N 447.362 4.832 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 1862620809 BGBCVEMKCUOVHB-XMMPIXPASA-N 441.483 4.545 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)c1 1862628454 YYFXXILLRUSUCL-IGCHPXFFSA-N 449.503 4.581 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H](C)O)cc1 1862651390 RSRAXNDUTFEBLF-BXKMTCNYSA-N 429.516 4.922 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 1862659872 FFEQSVDEBUMVPO-HSZRJFAPSA-N 429.520 4.675 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccccc2C(=O)O)cc1 1862690971 GWEKYCDWNVFARQ-ZAOYMGCJSA-N 449.503 4.550 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862715443 VIYRAGCNAONOLZ-XDHUDOTRSA-N 429.516 4.922 30 10 IJEE COc1ccc(C2=C(Nc3cccc4c3CCCC4)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968241 DHUISCAMQNHGDD-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C 1868709945 QBHXHIPCJFVVTH-YADHBBJMSA-N 446.657 4.572 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCOc2ccccc2)n(-c2cccc(Cl)c2)n1 1870002254 HJJDJWQEHVMMHQ-UHFFFAOYSA-N 437.931 4.507 30 10 IJEE CC(C)COc1cccc(C(=O)Nc2c(C#N)nnn2-c2cc(Cl)cc(Cl)c2)c1 1870154234 SZXGKIFIRVBXDG-UHFFFAOYSA-N 430.295 4.733 30 10 IJEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(OC)cc1OC)C2=O 1871395853 WRZREKSRWUYNJS-XKZIYDEJSA-N 425.525 4.956 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3CCO)C2=O)c2ccccc21 1871396056 KPTJAFWGZUNHHK-MGKUZBKYSA-N 446.547 4.720 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)Nc1c(F)cccc1F 1871440290 HVBGCYQGVXTNLZ-JMIUGGIZSA-N 425.362 4.738 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(C)cc3)c2C)C1=O 1871453679 LZKBRGCDSVBUKU-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872130683 DXCNXYBKNYOOMK-QFIPXVFZSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)cc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872565966 ZTXFEKYAPQKDHH-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c([N+](=O)[O-])cc1OC 1872766294 FDUBAIJIBHDNOR-ZDUSSCGKSA-N 445.403 4.504 30 10 IJEE CCOc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1872768682 ZHUHSKIRMPRHCP-KRWDZBQOSA-N 438.421 4.515 30 10 IJEE CC(C)c1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872776100 IFLOCAUXKSBTLL-MGPUTAFESA-N 443.528 4.794 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCN(CC)CC)C1=O 1873104350 VSTXQJHAAPVLPV-UHFFFAOYSA-N 427.633 4.757 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(NCc3ccccc3F)ncnc21 1873636998 IRFZZOPPMZGMAC-UHFFFAOYSA-N 437.425 4.899 30 10 IJEE CCCc1ccc(OCc2nnc(SCCO)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874258457 BRGJOQFYKMVGTG-PCLIKHOPSA-N 438.597 4.900 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc[nH]1 1874312704 IUURVWHNORUGHL-CVKSISIWSA-N 435.528 4.714 30 10 IJEE C=CCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(OC)c(OC)cc1OC 1874367501 FWIGSQDZHXSSCB-YDZHTSKRSA-N 444.944 4.785 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)c(O)c1 1874376095 FFUPTJOGRBUSLE-WGOQTCKBSA-N 448.523 4.636 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1/N=C/c1cccc(Cl)c1)NC1CCCCC1 1874495836 IEBFFPDJNJGQQC-YDZHTSKRSA-N 431.993 4.622 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1cccc(O)c1 1874540537 PYAFAXPTPGGQSO-WSDLNYQXSA-N 437.352 4.906 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1 1874581056 USQGBHUWPZBCQM-BUHFOSPRSA-N 431.488 4.926 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3cccc4ccccc34)cc21 1891217221 NRXAQIFCKPCWJH-UHFFFAOYSA-N 430.504 4.795 30 10 IJEE COc1ccc(-c2cc(C(=O)NCC#CCN(C(C)C)C(C)C)c3ccccc3n2)cc1 1891422845 QWURZLQWOHUBJG-UHFFFAOYSA-N 429.564 4.762 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1943877588 OHXGDVQZGSWTFZ-MBSDFSHPSA-N 437.581 4.522 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 1947964541 XFBPYBWXVNXCDV-HJPURHCSSA-N 431.533 4.728 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(CNc2cc(Br)c(C#N)cc2F)CC12CCC2 1965688577 GOGDPPPQBQJSTH-HXUWFJFHSA-N 438.341 4.957 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 1991397691 CTNVQMPYNAMTMQ-YJYMSZOUSA-N 435.487 4.714 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1991569708 VMHMDWDSDZWTLD-FQEVSTJZSA-N 431.524 4.952 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cccc(Br)c1Br 1992885033 KFEHYNVPWMRLFY-KBPBESRZSA-N 448.199 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)CC(C#N)(N(C(=O)OC(C)(C)C)c1ccc(F)cc1)C2 2011944972 IWHHIQAOEQUDDC-UHFFFAOYSA-N 431.508 4.860 30 10 IJEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 2020324080 MGDPXJDHIJUMGJ-JPYJTQIMSA-N 431.533 4.728 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@]2(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2041649425 CHHPFQHHWGFCLU-HSZRJFAPSA-N 449.592 4.618 30 10 IJEE C=CCC1([C@H](O)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047979364 MUJBREMINAAKAM-MRXNPFEDSA-N 430.770 4.819 30 10 IJEE CC(=O)Oc1c(I)cc(Cc2cccc3ccccc23)cc1C#N 2060384538 VBDPJJBOJOAOKC-UHFFFAOYSA-N 427.241 4.832 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(C)cc1Br 2116829555 NKNQNSPXSPJFQS-WMZOPIPTSA-N 427.358 4.854 30 10 IJEE CCN(c1ccc(C#N)c(Br)c1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2118192298 NSPNLXZVPIUXEP-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC(C)[C@H]1[C@@H](Nc2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2126363416 KKISDZOPYMNSJZ-RDJZCZTQSA-N 426.330 4.906 30 10 IJEE CC(C)N[C@](C#N)(CN(CCC(F)(F)F)Cc1ccccc1)C1(Br)CC1 2141687986 IIGLAVKYXZFASE-GOSISDBHSA-N 432.328 4.629 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 2145541392 MGGSHBQQHLDBQS-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(C)c1Br)NCCC 2159127713 JGFGTUJHVLYLBY-MOPGFXCFSA-N 437.422 4.975 30 10 IJEE CCCN(c1nccc(C)c1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2172704478 XKQOPBMYSHLOAL-UHFFFAOYSA-N 449.448 4.570 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(c2cc(Br)cc(C#N)c2)CC1 2174766993 FFZSJNYKVBSFMQ-OAHLLOKOSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CC=CCC1 2196085219 JXQKIZJOXVILIA-GUYCJALGSA-N 434.334 4.509 30 10 IJEE N#Cc1cc(F)c(Nc2ccc(Br)cc2I)c(F)c1 2231655246 IGMNONPMEPFNLO-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@H](O)C#Cc1ccccc1Br 2235738842 CZBUROCJWBTVGR-AZUAARDMSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(N)(C#Cc1ccccc1Br)C2 2235747417 PQSZUYVPAMSBKA-UHFFFAOYSA-N 433.390 4.746 30 10 IJEE CCN[C@@H](CC#CC1CC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400706 QBDBXGLHBAIXMH-PMACEKPBSA-N 435.406 4.667 30 10 IJEE CC1(C)OB(c2cscc2C(=O)N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241475518 ZIEDVEUJZBTOKJ-UHFFFAOYSA-N 433.382 4.890 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2249926312 GEDSAUUIBJAEOZ-SFTDATJTSA-N 436.557 4.901 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)Cc2ccco2)c1 2267232643 UYJNGKUGIBHTJB-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 2296217342 SYZGXADFPGLAQM-LSTHTHJFSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@@H]21 2296279146 LUHZUMKSMPYEDW-ITBLURSFSA-N 434.374 4.635 30 10 IJEE CC[C@@H](CCNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317358286 KKRZSAKDUKHACF-SZEUEKNRSA-N 432.370 4.798 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(C(C)C)cc1)C3=O)CN(CCc1cnc[nH]1)CO2 2322417384 JFDWYTXSFLCLGH-UHFFFAOYSA-N 429.520 4.852 30 10 IJEE Cc1c(OC(=O)c2ccc(C=CC(=O)O)cc2)ccc2c1OC(=Cc1cccs1)C2=O 2323613391 XQEKSYGXMHUUAM-UHFFFAOYSA-N 432.453 4.990 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Br)c1OCCCO 2323716909 KILRZJNXGWWFEZ-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OCC(=O)OC 2324373359 IIWAYCWQBSJEAZ-UHFFFAOYSA-N 432.900 4.812 30 10 IJEE CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)cc1 2324521891 OPQWTGJTLWSJSJ-KRWDZBQOSA-N 444.487 4.811 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OC[C@@H]3CCCO3)c2C)C1=O 2325690228 WMJQVOVLGMWFMS-INIZCTEOSA-N 445.309 4.940 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccc(N(C)C)cc1 2325907121 KAUCGKOIOFCQQN-UHFFFAOYSA-N 436.368 4.834 30 10 IJEE COc1ccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)c(OC)c1 2326561727 QZWUTDGXNVAXSK-UHFFFAOYSA-N 432.549 4.838 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 2328081271 HMVCBNPCGBPEKM-FGZHOGPDSA-N 425.960 4.988 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2330115696 LISNBXPZGDMOGR-AWEZNQCLSA-N 448.470 4.596 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2-c2ccco2)c(O)c1 2331211237 TZCJNTGOAQOZHJ-UHFFFAOYSA-N 426.885 4.777 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccc(Cl)c1 2331319654 UPXKBSVELPVDEE-UHFFFAOYSA-N 427.961 4.887 30 10 IJEE CC#CCN(C[C@@H](NCC)c1cc(F)c(Br)cc1F)C(=O)OC(C)(C)C 2337919640 UJWAGJUMQISCFM-QGZVFWFLSA-N 431.321 4.638 30 10 IJEE CCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(OC)cc1 16864931 SAFPACIAYQWOMF-CYBMUJFWSA-N 441.944 4.618 30 10 IJEE CSc1cccc(N/C(=N\C(=O)c2cc(C)cc(C)c2)NCc2c(C)nn(C)c2C)c1 32972566 DJOWFOYXULTVRG-UHFFFAOYSA-N 435.597 4.774 30 10 IJEE C#CCN1C(=O)S/C(=C\c2cc(CC=C)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 33441353 SVKOTWPXSHFRBV-STZFKDTASA-N 437.492 4.811 30 10 IJEE N#Cc1c(NC(=O)c2ccc(Br)o2)sc2c1CCN(Cc1ccccc1)C2 36629021 VUJCKACHLVNYPF-UHFFFAOYSA-N 442.338 4.786 30 10 IJEE C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCCOc2ccccc2)c(OC)c1 66132680 ZZSMHHOTGHZRDW-VWLOTQADSA-N 430.504 4.906 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(O)cc2)cc1C 170132553 LSLLVYBWERGVQA-HSZRJFAPSA-N 445.471 4.506 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)cc1 170174364 BPWQVWWCLHTQRV-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1c[nH]c2ccccc12 170255444 YCQWCXMTXQYSTP-HSZRJFAPSA-N 430.504 4.871 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302438 ZJIXLDWASYXSLS-NRFANRHFSA-N 432.432 4.896 30 10 IJEE C[C@H](C(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1)n1cnc(C#N)n1 409665201 LANBLDFRPBJUEA-LLVKDONJSA-N 446.692 4.558 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 433236856 YVIQYPWHZFWHIC-UHFFFAOYSA-N 446.298 4.723 30 10 IJEE C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 479021094 LRNAUJUVTGVODD-NPMXOYFQSA-N 445.906 4.992 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(C(=O)c4ccccc4)CC3)n2Cc2ccccc2)cc1 515313957 IYVUWUDOSIHAOL-UHFFFAOYSA-N 447.542 4.964 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccnc2)cc1OCC 526519679 DJIKNGZPDRRVCO-XMMPIXPASA-N 441.487 4.808 30 10 IJEE N#CCSc1ccccc1NC(=O)CN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 549178297 RLWYYYVLBQYEMI-HXUWFJFHSA-N 437.462 4.830 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)cn1 554965589 ZGRQWQOUXIADMV-UHFFFAOYSA-N 448.910 4.804 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(CCCC#N)c2cccc(Br)c2)cc1 586254656 UYHBUUFAIBHGEC-UHFFFAOYSA-N 437.359 4.735 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)cc1C#N 608990255 YIIDDRVFBHJHBA-IBGZPJMESA-N 429.973 4.956 30 10 IJEE N#Cc1ccc(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c(F)c1 609229456 QYZGQHFZPFGGON-UHFFFAOYSA-N 436.331 4.504 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)N(CC2CC2)C(=O)N[C@H]1c1scnc1C 743741947 NLSQUTGUPXJBEL-QGZVFWFLSA-N 446.370 4.691 30 10 IJEE N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 780308825 DMLWZARZJVTBNK-LLVKDONJSA-N 435.814 4.842 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 800154528 JQMPQAWLDYKKEA-UHFFFAOYSA-N 432.973 4.886 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C\C(=O)c2cn3c(n2)CCCC3)cs1 806564176 LEDKLOFESOOVPV-YFHOEESVSA-N 426.929 4.910 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 849524289 HJFRKSOAIGOONE-DQEYMECFSA-N 446.620 4.510 30 10 IJEE CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(Cl)c(Cl)c1 914539663 FZDGEECYQSEHLS-KRWDZBQOSA-N 436.364 4.651 30 10 IJEE COc1ccccc1C/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1C[C@H](C)N[C@@H](C)C1 1088684421 VKLLRCCIEMNASF-PMACEKPBSA-N 444.579 4.718 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(C)c3ccccc3n2)c(C(=O)OCC)c1C 1124757317 PQOOXNDUJILEFY-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE C#CCOc1cccc(OC(=O)c2cc(I)c(Cl)cc2Cl)c1 1125978079 GCZDUNYNIFPUFF-UHFFFAOYSA-N 447.055 4.829 30 10 IJEE C#CCN(CC1CC1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1127216446 PQUQZAIHUYIADP-UHFFFAOYSA-N 448.364 4.716 30 10 IJEE COc1cc2c(cc1CNC(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)O[C@H](C)C2 1127264207 AENAHDNKBNKNKB-QGZVFWFLSA-N 428.488 4.807 30 10 IJEE C=CCN(C(=O)CCc1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1128111310 KNRBWFGQNHRDNP-OAQYLSRUSA-N 433.470 4.827 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 1128431441 BSXJAKHFQUOQOA-JXFKEZNVSA-N 429.973 4.819 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Cl)ccc1Br)c1ccc(Br)cc1 1129609594 XQRSLAXUEIQTMX-OAHLLOKOSA-N 427.523 4.969 30 10 IJEE C#CC[C@@]1(C(=O)NCC(CC)(CC)c2ccc(F)cc2)CCCN1C(=O)OC(C)(C)C 1131570030 KIUZLHXPJKOXTN-VWLOTQADSA-N 430.564 4.793 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 1139865327 DSKCYWQJQOUEPB-NRFANRHFSA-N 431.374 4.536 30 10 IJEE COc1ccccc1Nc1ccccc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1154042023 CYCMMAVVBVVENT-UHFFFAOYSA-N 427.439 4.888 30 10 IJEE C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccc(Cl)cc1 1209641468 BQQPJJUBTADEBI-ONUMYQOESA-N 439.762 4.650 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)CCc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1211148016 JMJTWKMBYBEATO-HXUWFJFHSA-N 427.488 4.883 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1)c1ccc(F)c(F)c1 1226646550 BHUXKNGXDGZZAQ-HSZRJFAPSA-N 426.463 4.852 30 10 IJEE C=CC[C@H](CC)NC(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1227349675 WZVZWPILIRGCCW-KDLAUNOPSA-N 429.561 4.544 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 1229654006 WDISYZBSDUGWMS-UHFFFAOYSA-N 426.388 4.987 30 10 IJEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 1264188934 BOQZDTPYOMHRGY-HSZRJFAPSA-N 441.915 4.525 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(=C)CC1 1286314956 KBVOWACGTLPQCQ-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCCOC(C)C 1286514868 BKZBKJGZLUHBNR-HSZRJFAPSA-N 432.515 4.744 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC(F)F 1286537352 ZKJASOUDIGLAAM-LBPRGKRZSA-N 433.272 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N[C@H](C)CC 1286566049 JWKGZKROQNYEBB-LJQANCHMSA-N 425.621 4.950 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1286649996 TYYMGOWEPYMJPY-PMACEKPBSA-N 444.023 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCCCNC(=O)OC(C)(C)C)CC1 1286656463 YRIYIYBZZWHVHX-UHFFFAOYSA-N 443.567 4.792 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1286662570 QAJNQAHDIKBENK-SFHVURJKSA-N 437.975 4.787 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](C)COC)CC1 1286663433 BZZLKHYMLHBWGT-FQEVSTJZSA-N 426.605 4.974 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cccc(F)c2[C@H]1C 1286667733 MIAIJLFANINSFF-QZTJIDSGSA-N 430.568 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1286671815 ZVCLDWIPNMUKRA-UHFFFAOYSA-N 437.632 4.869 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1286682717 URDIQVKXFIFMQX-CALCHBBNSA-N 433.394 4.986 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCCCC2)C1 1286685210 POMQYYUQIWEVLK-UHFFFAOYSA-N 442.629 4.866 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286698481 ZRUGVUHRFMIRLB-IBGZPJMESA-N 434.588 4.525 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(F)(F)F)cs1 1286713338 DSRURQPJSRXIDK-GFCCVEGCSA-N 441.454 4.703 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1)C1CC1 1286735870 QFODULKCFMBTNK-JOCHJYFZSA-N 428.989 4.646 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@H](CC)N1CCCC1 1286742459 PNOUAJRHCZOLEG-QHCPKHFHSA-N 434.632 4.805 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CCc1nc(C)c(C)s1 1286760983 SNDRQMMXGYHNGO-UHFFFAOYSA-N 444.608 4.891 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1OCCC1(C)C 1286765497 FBKIXHAXCBFYQJ-JOCHJYFZSA-N 438.547 4.651 30 10 IJEE C=CCSCCn1c(N2CCC[C@H](OCC)C2)nnc1C1(c2ccccc2)CCC1 1286836812 QSNIHTCPXLYABD-NRFANRHFSA-N 426.630 4.673 30 10 IJEE N#CCCN(C(=O)CCC(=O)N1CCC[C@H](CCCc2ccccc2)C1)c1ccccc1 1295276365 CNSHGGPXCQXFLY-DEOSSOPVSA-N 431.580 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1C[C@H](C)O[C@@H](C)C1 1300282894 KCCJEQQNUUGDCP-BZSNNMDCSA-N 426.630 4.937 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](COCC)C1 1300422492 PPFUCGNWOIDOPK-NRFANRHFSA-N 438.616 4.821 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(CC)CCc1cccs1 1300751763 QUQCQORRSFPDCX-UHFFFAOYSA-N 447.633 4.990 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CCCCC1 1300870490 SSVRSQDTEKDWMV-UGKGYDQZSA-N 439.560 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[S@](=O)C(C)(C)C 1300901514 ZURKNKWQOWMVHF-GEFUHLBYSA-N 446.661 4.985 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)C[C@H]1CCCO1 1300975535 WFTQAGBSVFTHHM-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 1300982173 CIRFRFRDRBPJJI-UHFFFAOYSA-N 426.458 4.846 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1301146112 RXPXWVZOUAOYRI-LJQANCHMSA-N 435.572 4.552 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnc(C(C)C)nc1 1301178468 MJOQYVKVAFDAHD-UHFFFAOYSA-N 434.544 4.580 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1301186804 JREOXAAPTWEXTD-BVYCBKJFSA-N 428.552 4.982 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1301239940 YIDZAVDYSBGPBX-URXFXBBRSA-N 426.630 4.746 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1301272852 LKFKVBIGFPNJQC-QUCCMNQESA-N 427.593 4.603 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1sc(C)nc1C)C1CC1 1301320839 PAPOHVNNSPBHNV-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1301349441 LXBQIISJXVMPDL-FYYLOGMGSA-N 426.605 4.849 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn2ccc(C)cc2n1 1301402264 DNMAFADADNHJOM-UHFFFAOYSA-N 432.959 4.705 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1csc(CC)n1 1301435550 BQOINOUKBQHFOD-UHFFFAOYSA-N 448.390 4.558 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1CCS[C@H](C)[C@H]1C 1301621114 QZDSTZJEGRSWMB-QZTJIDSGSA-N 432.659 4.669 30 10 IJEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccc(Cl)s2)n1 1304630078 DPKTWPKDMZGBPC-UHFFFAOYSA-N 440.985 4.981 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)C1 1305864669 DTPZDCYJJJCWFO-IPVFLDMMSA-N 434.632 4.811 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)cc1 1310165618 IERAFEXZSVGPDU-DHLKQENFSA-N 427.504 4.671 30 10 IJEE C#C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)C1 1311453026 ZKXYUWTZRXZANL-PGRDOPGGSA-N 439.650 4.624 30 10 IJEE C[C@H]1Oc2ccccc2N(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)C1=O 1347983611 FRENNLHIUGXISM-HUUCEWRRSA-N 437.565 4.523 30 10 IJEE CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 1348364437 FURVCJBDXZNMRL-IBGZPJMESA-N 425.554 4.778 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2ccc(F)cc2)c(C(=O)OCC)c1C 1353746091 ICNCADCMEWNABV-CYBMUJFWSA-N 433.501 4.847 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)s1 1355334455 GQMJVVPMVIERRZ-UHFFFAOYSA-N 443.015 4.814 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC#C)CC#CC 1358907371 MMWGRQODHHZYCP-UHFFFAOYSA-N 443.776 4.627 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC(C)(C)N1CCCCC1 1358944050 FRZFQIJXJODWFO-UHFFFAOYSA-N 437.632 4.704 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC(F)(F)C1 1359019013 IIRSMTOVUBGCHF-UXHICEINSA-N 446.542 4.556 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(CC)CCc1cccs1 1359086492 YEUCQIUWEJGCGB-UHFFFAOYSA-N 437.432 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359191478 ARIPNNVRRUWDEI-SVGJNIJCSA-N 438.616 4.619 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)c1ccccc1 1359194961 DOTZSZATANZDST-TVZXLZGTSA-N 438.616 4.783 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccc(C)o1 1359216242 RUPZEZKRADADOD-UHFFFAOYSA-N 443.592 4.897 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1CCc1ccc(Br)s1 1359242151 ROBFUJFYZZOUAM-UHFFFAOYSA-N 431.403 4.866 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2ccccc21)C(C)C 1359265251 BUDUZQFOTIAFHU-UPVQGACJSA-N 435.616 4.565 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccc(F)cc1 1359277398 LCQIUSVSGUUSDG-VWLOTQADSA-N 440.563 4.742 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1c(F)cc(Br)cc1F 1361171827 ZGAJIRBDUIHGOC-AWEZNQCLSA-N 446.292 4.643 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1436192603 ZQLMZMRSEPFSNB-UHFFFAOYSA-N 431.845 4.879 30 10 IJEE N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc1 1438264431 CGFXJTZTSKVVIV-QGZVFWFLSA-N 443.454 4.703 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(I)cc1NC 1440407113 QXYBTBMMMHVODA-UHFFFAOYSA-N 446.741 4.876 30 10 IJEE CC(C)(C)c1ccc(C#N)c(NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)n1 1458104047 BEOOBBYXWVAKER-UHFFFAOYSA-N 444.558 4.724 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1459785932 QDAFGWRMPPTXDU-SFTDATJTSA-N 440.609 4.572 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1461530980 QSJPIYGEWBAHBP-KXBFYZLASA-N 449.473 4.933 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 1469889799 CXLVPVRRVUTTEL-KRWDZBQOSA-N 447.988 4.731 30 10 IJEE CC(C)(CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc2ccccc2c1 1475552735 CGCYSOJZQUJEPA-UHFFFAOYSA-N 432.467 4.986 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1 1476041369 CZKSWLNODSMORH-UHFFFAOYSA-N 437.450 4.813 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(N(CCOC)C(=O)OC(C)(C)C)CC2)CCCC1 1478967458 JPHGHOMTWULQPW-UHFFFAOYSA-N 437.625 4.571 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccccc1 1479190570 KMSAZQHECLDBSE-YLJYHZDGSA-N 430.570 4.557 30 10 IJEE CCN1CCCC[C@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1502293239 APHLFQGOHBMIKR-QUCCMNQESA-N 440.661 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC1CCC(OC)CC1 1507521434 YLYLETSRLZOVSV-QNGMFEMESA-N 431.584 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507543176 UZQOQRBOOBWNTP-TUNNFDKTSA-N 438.616 4.587 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](C)C1 1507571334 XIWYVAJLYRFXNL-IBGZPJMESA-N 426.630 4.900 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)Cc1cccs1 1507704459 CQSQPCLKOAVFQE-QGZVFWFLSA-N 428.989 4.625 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCCCC1 1507714498 PPHWGURMEZMOCL-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@H](C)C1 1507749710 ZADMOWCEPOWCFR-KBPBESRZSA-N 439.448 4.618 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](CC(C)C)C1 1507752567 BQBVPPJNYFNVDY-OAQYLSRUSA-N 426.630 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C)s1 1507795905 NCZFDKNFSTXONJ-PXNSSMCTSA-N 444.004 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC1CCCC1 1507797259 RSITUTAOHQSGJT-XXBNENTESA-N 440.588 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(OC(C)(C)C)CC1 1507805325 JHKVGGGFFCMCGM-SIKLNZKXSA-N 444.645 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)N1CCCCC1 1507812526 NCMASGIRPIVNKY-UHFFFAOYSA-N 435.616 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507812756 PQPNPHNQPRCDSK-CNNODRBYSA-N 428.552 4.941 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC(C)(C)C1 1507829833 HRSJXOBSQMNKIZ-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507880820 NBSVJMKNPVPQBR-NRFANRHFSA-N 435.616 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 1507911118 IPCFLCTXASMDPF-OAQYLSRUSA-N 436.387 4.556 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(F)c(F)c1 1507919741 IAKCZNVYQKDJEB-PXNSSMCTSA-N 434.531 4.519 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1507943475 YTLPQGKYEJIJBD-UHFFFAOYSA-N 434.588 4.650 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1507951694 HMIIGRPNSJYIDK-HXUWFJFHSA-N 436.560 4.516 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC)Oc1ccccc1F 1507970979 OCSFKJXGBBZWFR-HNNXBMFYSA-N 448.340 4.655 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CCCNC(=O)OC(C)(C)C 1508001685 XERRYBMEHWLNCO-UHFFFAOYSA-N 427.593 4.683 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1508004054 IQDVCOJBWDXXEE-OTWHNJEPSA-N 447.505 4.715 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(OC(C)C)nc1 1508006557 HUGAHTSZVGUJHH-UHFFFAOYSA-N 446.580 4.825 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@H](C)C1 1508014006 UMXNOAJFLATZNZ-IAGOWNOFSA-N 431.378 4.701 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CC[C@H]1CCOC1 1508026764 WGEPVLYURXCGRK-SFHVURJKSA-N 426.948 4.853 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1508051754 YFSHZJWXQHRNHF-DGCLKSJQSA-N 445.283 4.537 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C3(c4cccc(Cl)c4)CCCCC3)C2=O)cc1 1515371023 FYPZASBLEXBXDT-JOCHJYFZSA-N 435.955 4.725 30 10 IJEE CCSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)CC[C@@H]2C)ccn1 1516881981 CXQWQPACPRHQJP-MSOLQXFVSA-N 432.597 4.997 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC[C@@H](C)N1CCCCC1 1518000906 GYSUMAKRKCWUFS-QZTJIDSGSA-N 445.011 4.610 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](CC)c3cccc(Br)c3)cc2C1=O 1521199456 FLIWHYXZNFZNOE-GOSISDBHSA-N 428.282 4.539 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)cc(C(=O)OC)c1 1521933473 WNYBDHCYOVKMEL-UHFFFAOYSA-N 428.735 4.779 30 10 IJEE C=C(C)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1522315388 WRPGUTZHNLPMSO-OFVILXPXSA-N 436.552 4.579 30 10 IJEE CCc1ccccc1N1C[C@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1=O 1522764474 CKEOWCIJAMRPND-HXUWFJFHSA-N 429.545 4.518 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F 1526207640 BDXVRLCJRVCBSD-KRWDZBQOSA-N 431.467 4.548 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccn(CCc2ccccc2)n1 1527807061 ISRVBBWUPVJTRD-UHFFFAOYSA-N 442.332 4.856 30 10 IJEE C=C(C)CCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1533719187 GKJHBSDAISQMKP-UHFFFAOYSA-N 432.446 4.517 30 10 IJEE CSc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1Br 1534130342 AKXMSMQSICOLKR-ZDUSSCGKSA-N 434.334 4.647 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccccc1 1534343934 JZXDZOTZNIPDKL-QHCPKHFHSA-N 426.582 4.545 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)cc1 1537739545 OUYRZNLABHRDLI-HSZRJFAPSA-N 442.600 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1538972560 KLSDOHFHOPISGE-RTBURBONSA-N 444.023 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCN(C(C)C)C(C)C 1539542284 WXHJKEUEUNTRBD-HHHXNRCGSA-N 444.627 4.913 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccccc1Br 1539617594 XUUQZOHRZFJAED-HKUYNNGSSA-N 433.394 4.782 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCSC1 1539758287 FYNCXFZSIQYHMI-FQEVSTJZSA-N 444.645 4.689 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)C)C1 1539774995 HRJQHFXQLYFXJE-MAUKXSAKSA-N 425.360 4.685 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1539921523 YZVIYDOTTVXHPO-QGZVFWFLSA-N 430.597 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539923722 HTFBMQCFMMWVPA-UHFFFAOYSA-N 447.631 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC(NC(C)C)CC1 1539928641 DRAGIPRIYUNASL-UHFFFAOYSA-N 429.584 4.565 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1539960207 ZMBAUIGQMOGVRA-MSOLQXFVSA-N 444.421 4.737 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCS[C@@H](C)C1 1539984796 AYMVAVTXHCISJS-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C(F)(F)F)cc1 1540107943 WYCFTVUUCSGLAE-IBGZPJMESA-N 439.411 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CCc1nccs1 1540140652 QEQKBTVFODQYDN-UHFFFAOYSA-N 437.594 4.907 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC1(CC)CCOCC1 1540146905 LLSCSGMNQUOENI-UHFFFAOYSA-N 437.613 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCc1ccccc1F 1540147990 YLMRYHCBBXHVFV-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1540153770 KRYJXWYBXKFBGI-YADARESESA-N 438.576 4.542 30 10 IJEE C=CCCCCCCNC(=O)c1cccc(Br)c1I 1544262685 CEWCZJUHUSNHJJ-UHFFFAOYSA-N 436.131 4.920 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC)[C@@H]1C[C@@H](OCC)C12CCCCC2 1545049492 RCTAOLPSHPYJAW-PWRODBHTSA-N 434.621 4.660 30 10 IJEE CC(C)n1cc(C2=CCCN(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2)nn1 1564119722 CBXJKBZHWAEQAC-UHFFFAOYSA-N 446.580 4.848 30 10 IJEE C=C(C)CCNC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 1564787920 CZZNKPUGEFAPTF-SFHVURJKSA-N 427.408 4.701 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)C(C)C 1585128732 KEDWKDDFEVUOBM-BHDDXSALSA-N 435.653 4.665 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2cnc3ccc(Br)cc3c2)c(OC)c1 1585296099 GERDUINLHYPGHN-UHFFFAOYSA-N 428.282 4.719 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1ccccc1 1587813560 QAEHWDCVXCWEQK-MRXNPFEDSA-N 426.362 4.657 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2nccc3c(Br)cccc23)cc1 1587964559 KKTNPBIJQCIMGK-UHFFFAOYSA-N 425.286 4.557 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C1CC(C(C)(C)C)C1 1588105327 UOCWEEKHEFMPCN-UHFFFAOYSA-N 431.403 4.839 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](OC)C(C)(C)C 1588194175 QBNBGSQJNGGHNT-QFIPXVFZSA-N 438.641 4.800 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCN(CCC)C1 1589178268 VXAPNOZUDOFLPY-KDYSTLNUSA-N 433.644 4.967 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCCCOCCc1ccccc1 1589178464 XSOQTZYTPCHBBG-AREMUKBSSA-N 432.568 4.878 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1csc(C(C)C)n1 1589625442 GAEXGWQBIMUURM-UHFFFAOYSA-N 439.585 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)c1nccs1 1589642100 VFBAERQDOCZNEJ-GOSISDBHSA-N 433.585 4.793 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1593757502 GNJZZSOSDGPMIF-MRXNPFEDSA-N 429.565 4.563 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1594600241 NRUMKSBBGQHWRS-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1594914298 ZTLRNBMZRTUMKB-SFHVURJKSA-N 430.618 4.895 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1595115892 NDPCMYUERPVHOA-GPXNEJASSA-N 437.632 4.833 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCc1sc(C)nc1C 1595259665 AVOGLXFPEAONOB-HXUWFJFHSA-N 441.601 4.664 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1595845273 QNZCFMLOHKTOGB-FSSWDIPSSA-N 426.630 4.887 30 10 IJEE C=CCC1(C(=O)N[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CCC1 1603432725 JAMHIFKLCHRUFG-CLOONOSVSA-N 426.557 4.752 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCCC2)C1 1606718724 GKOSSEUUKQJEKS-JTHBVZDNSA-N 434.632 4.811 30 10 IJEE CCc1cnc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)s1 1613832642 CCHVYTPQROEQPD-HOTGVXAUSA-N 442.564 4.557 30 10 IJEE COc1ccc(/C=C2/S/C(=N/N=C/c3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 1615301836 XGJNGTPKYBOXIP-IBTWPMPSSA-N 435.480 4.934 30 10 IJEE C=CCC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1616670899 PTBLQYKKBZBZTQ-QGZVFWFLSA-N 437.418 4.858 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 1618132847 KXEMIOFYMGCRHT-IBGZPJMESA-N 444.963 4.861 30 10 IJEE C=CCC[C@@H]1CCCN1CC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 1620642355 RJXPPTBLIQNVRJ-ZJSXRUAMSA-N 431.580 4.855 30 10 IJEE COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@@H]1CCCO1 1623163813 FXTDVUVSHDTHRT-QUCCMNQESA-N 449.429 4.685 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(c2ccccc2C)c2ccccc2C)c1 1624771283 KABVHLNGABCLNI-UHFFFAOYSA-N 431.557 4.620 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1624859565 KRNJODXKEJPPIY-VFNWGFHPSA-N 435.442 4.881 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 1625285704 KWMRSCPIXJUGDS-XMSQKQJNSA-N 430.907 4.535 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 1625901340 JSMBVEAEQADCAM-IBGZPJMESA-N 443.931 4.913 30 10 IJEE C[C@@]1(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC(c2ccccc2Cl)=NO1 1629061282 BPQDBGOPMFGUEA-QHCPKHFHSA-N 432.867 4.921 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 1630314315 LHPYQMQJCSPUDJ-QHCPKHFHSA-N 434.486 4.817 30 10 IJEE C=CC[C@]1(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CCCN1C(=O)OC(C)(C)C 1631582738 FPRLDIBJBKKCTD-HSZRJFAPSA-N 431.964 4.826 30 10 IJEE C=CC1(CC(=O)Nc2cc(Br)c(C)cc2OC)CN(C(=O)OC(C)(C)C)C1 1632455372 PRKAVMPQTMYHKI-UHFFFAOYSA-N 439.350 4.518 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1ccccc1 1633277963 YYQXQSLQDBRVJC-AREMUKBSSA-N 432.612 4.725 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCC2(CCC2)CO1 1638432236 VDQSODNBMVNROA-QGZVFWFLSA-N 425.342 4.635 30 10 IJEE C=CCc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)cc(OC)c1OC 1640503534 HODWGQILUVEPEF-DEOSSOPVSA-N 431.532 4.808 30 10 IJEE C=CCn1c(SCc2ccc(OC(C)=O)cc2)nc2sc3c(c2c1=O)CCCC3 1640696883 VKPUBVSGMPBIDJ-UHFFFAOYSA-N 426.563 4.740 30 10 IJEE C=CCn1c(SCC[C@@H]2Sc3ccccc3NC2=O)nnc1-c1ccccc1F 1640706004 HVWFKMUAFMHOKX-SFHVURJKSA-N 426.542 4.865 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC(c3ccccc3)C2)c1 1643463593 GHCRFWSQHMACJO-UHFFFAOYSA-N 427.529 4.529 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(OCC(F)(F)F)c1 1643572480 AKQKFTWQVPWKBG-UHFFFAOYSA-N 440.535 4.726 30 10 IJEE C=CCNC(=O)NC(=O)[C@H](C)Sc1nc(Nc2ccccc2Cl)c2ccccc2n1 1643579465 NIMFGGZEDKQWOM-ZDUSSCGKSA-N 441.944 4.519 30 10 IJEE C=CCCC[C@@H](NC(=O)c1sc2nc(COC)nc(OC)c2c1C)c1ccccc1 1651057369 HAVKMARQHPVBOG-QGZVFWFLSA-N 425.554 4.982 30 10 IJEE C=CCn1c(SCCCC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652349208 QRBCKCOXNWTWAY-AWEZNQCLSA-N 434.627 4.983 30 10 IJEE COc1ccc(-c2nc(SCCOc3ccc(F)c(Cl)c3)nc(O)c2C#N)cc1 1652472262 KEXDSPYTULDWHC-UHFFFAOYSA-N 431.876 4.693 30 10 IJEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1CCCc2ccccc21 1652654283 YEFSYQMYILGRQD-VWLOTQADSA-N 444.556 4.640 30 10 IJEE C[C@@H]1[C@@H](N(CC(=O)N(CCC#N)CCC#N)Cc2c(F)cccc2Cl)CCC[C@H]1C 1653673798 FSOQDDMGMZCKHJ-FGSXEWAUSA-N 432.971 4.762 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1OC 1656308692 UHJWWLATIWFNHM-KKSFZXQISA-N 446.950 4.894 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3Cc4ccccc4[C@H](C(=O)OC(C)(C)C)C3)cc2n1 1664853533 ICYFDEBVDGBJPG-OAQYLSRUSA-N 432.524 4.695 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccnc(Oc4ccc(OC)cc4)c3)cc2n1 1673215714 IZNWCHUJBHBWDZ-UHFFFAOYSA-N 429.480 4.740 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl)C(C)C 1674145959 WDLTUPOLMHTHTQ-QZTJIDSGSA-N 426.388 4.815 30 10 IJEE COc1cc(C#N)ccc1NC(=O)NCC1(c2ccc(Br)cc2)CCCC1 1676046657 GBSIKEMNPTYXRY-UHFFFAOYSA-N 428.330 4.963 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc(OC)c1OC 1678262561 JZGHIFKSHVPXTK-UHFFFAOYSA-N 449.473 4.632 30 10 IJEE CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1Br 1680776239 DAQWFSPQSCYEIO-UHFFFAOYSA-N 426.358 4.973 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(C(F)(F)F)cc1 1680855084 JOBAFVFNFRHTKR-NRFANRHFSA-N 443.473 4.511 30 10 IJEE C=CCN(C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)[C@@H](C)COC 1683005897 HKGUEEUXFJGSDA-QFBILLFUSA-N 447.576 4.868 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NCC[C@@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)CC1 1683629936 CMDOUJMQOAJSSQ-JBACZVJFSA-N 425.573 4.624 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1686957212 VWWRXFUVHPFPML-UHFFFAOYSA-N 433.549 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(OC2CCCCC2)c1 1689835168 HMHWSRGWQVSVDU-LJQANCHMSA-N 445.567 4.566 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1689877005 OGHOJWCTCIZASG-ROUUACIJSA-N 435.597 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1occc1C 1690053851 JQFMRHJEVZZFPM-UHFFFAOYSA-N 430.552 4.567 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C(C)(C)C)CC1 1690241529 TVDFJPNEDROGQH-JTHBVZDNSA-N 431.584 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CCCO)CC1 1690242909 DVUWHJFNZMEMHY-KNQAVFIVSA-N 445.007 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690367147 DCBFOWFVMDXSRX-SZPZYZBQSA-N 437.632 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1690422027 ATMOKCVANJKSMM-KRWDZBQOSA-N 447.986 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1690430632 PMZNTCTWSIPZLE-GOSISDBHSA-N 441.624 4.538 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccccc1)CC1CCOCC1 1690432796 LZVAKUDJCFZWPL-HSZRJFAPSA-N 438.616 4.818 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccnc(OCc2ccccc2)c1 1690531347 JKXMFDGJJSRPAU-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1690578105 QSWOFQODMTZGKD-UHFFFAOYSA-N 449.624 4.848 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@@H]1C 1690600996 NDQMLWJFAAEXKZ-HTAPYJJXSA-N 433.021 4.953 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(Cc2cccs2)CC1 1690629206 KMAQKWLQMFVBGZ-KRWDZBQOSA-N 444.004 4.641 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(SC)CC2)C1 1690686278 LKWGFZJEJJUTPL-LPHOPBHVSA-N 449.020 4.748 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C)CCCC2)C1 1690686765 TXHNABLSXKWKCW-RXVVDRJESA-N 428.552 4.919 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccnc1 1691579247 BOHDMOFPIGENIZ-BVAGGSTKSA-N 439.567 4.782 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@H]1CCCC[C@H]1C 1693641428 FUMNALAEURHIQY-VIYGXFRKSA-N 431.625 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc([C@@H](C)O)cc1 1705607269 XMINQLXCJJQIQQ-ZWKOTPCHSA-N 434.609 4.693 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1705735146 KHSJZJHEGDLQHC-GOTSBHOMSA-N 440.588 4.853 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC(F)(F)C2)CC1 1705779217 ZRMULJOZSQGBQW-KRWDZBQOSA-N 432.515 4.800 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1csc(C)n1 1705795723 QAUXIUGXVCEDSP-SXLOBPIMSA-N 445.633 4.711 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1)c1ccccc1 1705797965 HPLVITLZDPEDRN-ZTCOLXNVSA-N 438.616 4.611 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1705799213 PUIYHRHPJRNVSA-ROUUACIJSA-N 429.634 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@](C)(O)[C@@H](C)CC 1705837281 WEQPEGIRLCBPGB-ORAYPTAESA-N 441.801 4.780 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC2(CCCC2)C1)C(C)C 1705866835 AWBHTPAOTGIJOL-DHIUTWEWSA-N 441.664 4.989 30 10 IJEE COCCC1(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)CCCC1 1712336307 HVFVWKNMPHFRCZ-JOCHJYFZSA-N 437.588 4.625 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](C)N1CCCCC1 1722404928 GYRRMJBMTMLMKE-FQEVSTJZSA-N 439.673 5.000 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCN1CCC(C)CC1 1722423278 YQKGFINVCAGKAQ-UHFFFAOYSA-N 437.607 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cccc(OCC)c1OC(F)F 1722472283 BIOAKQMKMVLHDZ-XMMPIXPASA-N 446.542 4.907 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1722500241 BQCQXZXEJCBQAY-VGOFRKELSA-N 442.560 4.675 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1722598876 QOSHCAOHBOTSRC-UHFFFAOYSA-N 442.926 4.711 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722600759 AGJSFXVBASSSOM-CALCHBBNSA-N 432.515 4.800 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722614449 NTKWKEFBDQLSOG-SFHVURJKSA-N 434.588 4.524 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCSC[C@@H]1C 1722626601 GFNUKVRHXMUWEH-IBGZPJMESA-N 444.645 4.689 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCCCCC1=O)C1CC1 1722646249 KXMKGQFHUXXWQN-UHFFFAOYSA-N 445.970 4.685 30 10 IJEE CC(C)c1csc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C#N)CC2)n1 1723130713 HFFXKQBILJXYMS-YLJYHZDGSA-N 442.633 4.565 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCS1 1723386690 DJSLIZIYEJBGSS-HXUWFJFHSA-N 449.628 4.997 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CC)CCC1 1740558449 VKFQOIYAXYOVFM-MRXNPFEDSA-N 431.378 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)CCC(C)C 1740560011 ZVEJYUYUSMGJPR-JTSKRJEESA-N 435.037 4.869 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740582957 SSWCIDMZYDFUDB-UXHICEINSA-N 443.389 4.577 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1740783026 FFRQIWGVPHYHMU-QGZVFWFLSA-N 443.567 4.668 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC2CCOCC2)CC1 1740834680 GMNCHKZNMQSVBS-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1740851914 FNDAAIOUYKZMFS-OAQYLSRUSA-N 444.542 4.701 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccco1 1740884404 ZUJSWUVZWNTJSX-UHFFFAOYSA-N 437.363 4.591 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCS1 1740914228 BXJHQSGHYVYOGR-QFIPXVFZSA-N 444.608 4.999 30 10 IJEE CCN1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CCC(C)C 1746405674 CDLOOWJLHVWKQM-OAQYLSRUSA-N 429.012 4.849 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCO[C@@H](C)C1 1748724003 GXIVHSLRWLVFDH-INIZCTEOSA-N 437.371 4.583 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccco1 1748751142 TYOPLYXZXGIRHC-MOPGFXCFSA-N 441.576 4.596 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1=CCCCC1 1748859845 OFXLYRZRDFFGNL-UHFFFAOYSA-N 429.351 4.737 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC(C(C)(C)C)C1 1748925786 NOMGLFWJUWSJCA-XEVCZEQESA-N 443.636 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1OCCC1(C)C 1749146629 KEDITSMVXKWVCY-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC2(CCCCC2)C1 1749174437 QAASHVRCIPREEK-FQEVSTJZSA-N 440.588 4.932 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](CCC)C1 1749255714 HQVVPDDWKMFQOZ-CQSZACIVSA-N 443.748 4.605 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1749288148 MZRJZDSHHGHUAY-UHFFFAOYSA-N 446.599 4.830 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC1COC(C)(C)OC1 1749396873 JEWURRCDVQVNAZ-UHFFFAOYSA-N 437.588 4.628 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCc2ccc(Cl)nc2C1 1749438045 PJCOIPPZDUJEDQ-UHFFFAOYSA-N 437.975 4.997 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1cccs1 1749587465 VPXYTQPAYURIJV-QHCPKHFHSA-N 438.553 4.644 30 10 IJEE COCCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749620965 DHFMFBAPWBAPCF-HXUWFJFHSA-N 438.334 4.511 30 10 IJEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)c1nccs1 1750221801 FYABCFPBHJEVGS-OAHLLOKOSA-N 426.615 4.655 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC2(CCOCC2)C1 1760129856 AVFDJBGJHJMLTG-FQEVSTJZSA-N 440.563 4.758 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C(CC)CC)N(C)C 1760165340 PAJKNWYWMCFBPP-VWLOTQADSA-N 446.643 4.788 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC1(OC)CCC(C)CC1 1760241023 LYENSPCGHYATMI-UHFFFAOYSA-N 447.558 4.714 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C2CCC1(C)CC2 1760277641 BPMGIGSJDLRAHU-UHFFFAOYSA-N 431.403 4.595 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@@H](C)C1 1760278196 MNVQIFPWJCFZSK-HOTGVXAUSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(C)CCCO1 1760297962 PPUAJAWGOMILKT-YADHBBJMSA-N 449.382 4.725 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC)cc1 1760299472 VURRNXYGJYBYOS-XLGIIRLISA-N 436.600 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760319965 VPZMXZBHPHOMAA-GQSCTRQFSA-N 448.970 4.580 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@H](OC)C1 1760370311 NSIWMWTXRSBBDL-SFHVURJKSA-N 434.968 4.500 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760385823 ZYLOPAOZCWPHQO-GOSISDBHSA-N 425.577 4.577 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2CC(F)(F)C2)CC1 1760399916 YISQXGFWKHQNKV-UHFFFAOYSA-N 432.515 4.800 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1)c1ccccc1 1760417853 JKHGPBXDEVDADE-HSZRJFAPSA-N 435.616 4.600 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1cnc(C)s1)C1CC1 1760469323 DKYZBLVXOCBOMR-UHFFFAOYSA-N 436.404 4.737 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1760501138 HWLYHOSZMOFVSA-OALUTQOASA-N 434.531 4.826 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1760565020 MFDKWYZGQPKRFG-UHFFFAOYSA-N 425.646 4.798 30 10 IJEE CCC(CC)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1)SC 1762120246 FKVKUNJQQJAQPH-HRAATJIYSA-N 449.571 4.921 30 10 IJEE CO[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1769625615 GILLLROSEHMBHR-JOCHJYFZSA-N 447.587 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1(SC)CCOCC1 1772522808 YBHCNGJAMYURSK-OAQYLSRUSA-N 448.995 4.642 30 10 IJEE CCCOc1ccc(/C=N/NC(=S)NCc2cccc(C(F)(F)F)c2)cc1OC 1860499871 ZEEJNIVFXONEAE-DHRITJCHSA-N 425.476 4.501 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC)c(OC)c1 1862586441 STVYYMSPYINGFZ-LJQANCHMSA-N 448.302 4.775 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C 1862674714 RMLAMCPQOVXCLE-HSZRJFAPSA-N 438.543 4.834 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2Cl)C1=O 1863074728 CUYSCNFNEKKKOJ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2ccc(F)c(F)c2F)c(Br)c1 1865964723 ODRFDDFAUKINCF-UHFFFAOYSA-N 434.009 4.753 30 10 IJEE CC[C@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867013103 ILGIIEDJNJOGMK-OZXSUGGESA-N 433.552 4.764 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccccc2)cc1 1867762797 MJTQWCXSSYBOBR-CLJLJLNGSA-N 448.526 4.638 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 1870148876 FAHVRLCWOVJECP-UHFFFAOYSA-N 442.445 4.565 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccccc1CC 1870884729 OCXGPYKQQIBRAC-UHFFFAOYSA-N 434.536 4.675 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CNc1ccc(C)cc1 1871204620 HMJGQTXDZLCCLB-UHFFFAOYSA-N 442.515 4.949 30 10 IJEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(OC)c(OC)c1OC)C3=O 1871352064 NMKUKPWZPVDLHX-UWOKGBPVSA-N 439.508 4.587 30 10 IJEE O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(C[C@H](O)c2ccc(Cl)cc2)CO1 1871352947 IYMFLTPFALIYEX-DZCITIIWSA-N 433.891 4.842 30 10 IJEE CCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 1871418627 CWFGYOBGLKFLOR-FMCGGJTJSA-N 449.503 4.926 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)cc1 1871457192 TXAILRHFICEWOM-UCQKPKSFSA-N 429.472 4.946 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871995033 OVDNNKCAEJCFNG-OAQYLSRUSA-N 444.597 4.523 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@H](C)CC 1872613997 WYEVSDIJYYMHJJ-NQIIRXRSSA-N 428.614 4.776 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872774573 VUOVGQJHVGUUHV-NTPDMAOXSA-N 432.501 4.870 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873085100 ZPVUFMXESVLFOF-UHFFFAOYSA-N 447.623 4.945 30 10 IJEE CCOc1c(/C=N/n2c(CCCOc3ccccc3C)nnc2SC)cccc1OC 1874248048 KMRHTFZLWRFWOL-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE Cc1ccc(CCc2nnc(SCCO)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1C 1874332619 QFUOIMLJQJZNGL-ZMOGYAJESA-N 449.407 4.954 30 10 IJEE CCCNC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874393538 PHBKORDQWXVVOC-FRQJIFLKSA-N 441.988 4.584 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)ccc1O 1874466048 OLECYLWGNSFYJE-ZMOGYAJESA-N 438.484 4.956 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874473572 LHXWNQISGBHQRH-BUVRLJJBSA-N 447.520 4.703 30 10 IJEE CCCc1nnc(SCC(=O)N(CCC)CCC)n1/N=C/c1ccccc1OC(C)C 1874508451 DQIOLCJIKMPAIE-LFVJCYFKSA-N 445.633 4.641 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2/N=C/c2ccccc2OC(C)C)o1 1874525455 OASOFQZYRQLFBM-YDZHTSKRSA-N 442.541 4.572 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1OC 1875098866 ROPTWVYJJNOKOG-DHZHZOJOSA-N 433.416 4.727 30 10 IJEE C=C(F)CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883383813 RWHXPKITDZYXLC-HXUWFJFHSA-N 429.513 4.973 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)Cc2sc(-c3ccccc3)nc2C)c1 1891484224 MZCVNYRIDLMXJF-UHFFFAOYSA-N 447.604 4.706 30 10 IJEE C#CC[C@@H](C)C[C@@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2076098984 MVMPLZKZQQHYMS-ISKFKSNPSA-N 441.660 4.964 30 10 IJEE CCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079241118 YKWFGBQIPDDSTF-UHFFFAOYSA-N 449.120 4.988 30 10 IJEE C[C@@H](C1CC1)N(Cc1ccccc1)c1ccnc2cc(B3OC(C)(C)C(C)(C)O3)cnc12 2116145076 MLKBQEJMUXDFQY-SFHVURJKSA-N 429.373 4.734 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCC)c2cc(F)c(Br)c(F)c2)C1 2142157407 QWPFEEREBNVBBY-MRXNPFEDSA-N 431.321 4.991 30 10 IJEE CC1(C)OB(c2ccc(CNC[C@]34CC[C@H]3CCCN4Cc3ccccc3)cc2)OC1(C)C 2151199712 STNQMBGFRSIRTE-UFHPHHKVSA-N 446.444 4.520 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 2159130524 RZITYPYNVNSRHR-IRXDYDNUSA-N 441.414 4.574 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Nc3ncc(Br)cc3C#N)CCCCC[C@@H]12 2162340559 BLOXBFXFFSAHLC-OXQOHEQNSA-N 435.366 4.840 30 10 IJEE C[C@H]1[C@H](C(F)(F)F)N(c2cc(Br)ccc2C#N)CCN1C(=O)OC(C)(C)C 2174816320 CFFDVYPTIYYRLD-XHDPSFHLSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C2(CCC2)C1 2174822156 NGFCFEYYICKJID-CYBMUJFWSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)C2(CCCC2)C1 2179884779 XXZRITDFXUBPKH-UHFFFAOYSA-N 438.341 4.830 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(C)(C)C(=O)Nc1ccc(C#N)cc1Br 2181110884 FULGHMPSLFRXDF-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE C=CC1(Oc2cc(Br)nc(C(C)(C)C)n2)CCN(C(=O)OC(C)(C)C)CC1 2195069306 HZFAZZLTTDDGKZ-UHFFFAOYSA-N 440.382 4.871 30 10 IJEE C#CC[C@H](C)C[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2196838220 XHBIRLHILUGNIZ-FFZOFVMBSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C)(C(=O)Nc2cc(Br)ccc2C#N)CC1(C)C 2199605333 HAOLTDNWLYPVOK-FQEVSTJZSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H](CN(c3cc(Br)c(C#N)cc3F)C1)C2 2207035045 NESTWLCYXARVOG-ZUOKHONESA-N 438.341 4.734 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)c1cc(CNC(=O)OC(C)(C)C)cs1 2227504995 JFTCUTXGLIATHF-QGZVFWFLSA-N 435.387 4.848 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 2235746004 GZVTVNIZLTUDIN-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@@H](N)CC#CC2CCCC2)C1 2251485252 QFBHISNACVREKW-OZXSUGGESA-N 426.601 4.741 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267100249 RVFYUQVOOALAQZ-QYMBAGKLSA-N 438.421 4.513 30 10 IJEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2267487236 BXMPMQJOLVPXCR-IBGZPJMESA-N 437.389 4.681 30 10 IJEE CN[C@H](C#CC1CCCCC1)c1cc(I)ccc1Br 2274052908 KYCJKSYSWDZNNJ-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2296288567 IQQXPMVPEPVYPH-MOPGFXCFSA-N 435.406 4.957 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296297147 VZQDSIUFQOLAGY-AZUAARDMSA-N 435.406 4.816 30 10 IJEE Cc1cc(C=C2SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(O)cc1 2297454409 KFUYICSGCRCEFE-UHFFFAOYSA-N 429.501 4.908 30 10 IJEE CCN[C@@H](C#Cc1cccs1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2300798152 LLOMITCJIIADJD-QFIPXVFZSA-N 440.609 4.532 30 10 IJEE C=CCN(Cc1ccccc1)C1(C(=O)O)CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 2305317937 ZDSHREUALOPXHS-UHFFFAOYSA-N 428.573 4.746 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@]1(C)CC 2315224721 GGNNWUPLLQMRKI-RPBOFIJWSA-N 447.572 4.799 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2317346929 PBHYAMBDATYRND-KRWDZBQOSA-N 430.354 4.503 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2ccccc2OC(C)C)c1C 2321090450 SFYPTUIVFQEDQV-UHFFFAOYSA-N 437.569 4.604 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CO2 2322436495 QDASMWCKVFNITE-AALNIOGOSA-N 449.572 4.908 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1ccccc1C 2323808730 RPCQFIJSIZDXGD-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1ccc(C=NNc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1OCC 2323874135 LNDNLTCUZLBKEQ-UHFFFAOYSA-N 425.510 4.840 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1cccc(Br)c1 2329351805 KRCYBBFXJCXKQE-UHFFFAOYSA-N 443.370 4.918 30 10 IJEE OCCCSc1nnc(COc2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 2329922968 FOUSAEMJRNRDTB-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE Cc1ccc(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)cc1 2330286637 UXIOSQMSDKRMTB-UHFFFAOYSA-N 428.602 4.883 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1 2330807530 XBFAELAYYKFVAT-UHFFFAOYSA-N 425.533 4.619 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccccc1OC(C)C 2330880946 GXSTXRJMYOEDRO-UHFFFAOYSA-N 432.590 4.581 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)cc1C 2330881057 HULJINHCFRCCOI-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccncc1 2331009034 JJFTWAFZKVAHIN-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)cc1O 2331032920 AYJLFGCRPMEHFO-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2cccs2)cc1 2331376831 AVGDPMFDFRBRMQ-UHFFFAOYSA-N 427.599 4.813 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)c1cccnc1 2331660161 NKKYZBPJUACKCO-UHFFFAOYSA-N 447.487 4.840 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)c(OC)c1 2331722048 OWIYVLCZHHMFPT-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)CCOC 2331834893 UKWNDXUHRRGHIJ-UHFFFAOYSA-N 444.911 4.924 30 10 IJEE CC(C)(C)OC(=O)NC1CC(F)(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339574975 PXVLBTZADDYZCG-UHFFFAOYSA-N 447.360 4.534 30 10 IJEE C=CCC[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2339596319 IGRGMRYTMPCWHS-JUWJPQTCSA-N 444.381 4.965 30 10 IJEE CO[C@H]1C[C@@](C#N)(Cc2ccc(I)c(Br)c2)C12CCC2 2377399891 YDWSPOIMXCHJFN-LSDHHAIUSA-N 446.126 4.695 30 10 IJEE COc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)cc1Cl 38618419 FEWOLAODMPOURN-UHFFFAOYSA-N 435.307 4.786 30 10 IJEE CCc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)cc1 38623303 URAMLFPFYFJKJU-ZWKOTPCHSA-N 430.504 4.556 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(F)cc1)C2=O 41289854 QGRUUNCTBSSPPH-BKUYFWCQSA-N 434.419 4.987 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 100263085 LJZFXFQQJWGVHJ-ACNSNUFOSA-N 426.300 4.723 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccc2)cc1 170050865 AQGFBHSGOVQPQW-JOCHJYFZSA-N 445.446 4.704 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(F)cc2)c1 170060791 JOYUWUVBDMOLKX-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)ccc1F 170083082 ALYTYSNJCKUGIP-JOCHJYFZSA-N 435.426 4.757 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)c(OC)c1 170126336 KDXKOJSAKFSCFI-XMMPIXPASA-N 449.547 4.961 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)c(OCC)c1 170173114 KHAFSZXOZBKQKP-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCCOc1ccccc1N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 170179879 AZAPLRCVQHCXKO-UHFFFAOYSA-N 425.941 4.969 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)cc1 170259898 ITLDHGTWRIWHSO-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1OC 170284924 WHKVVWCVYNPHGW-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccs2)o1 170298188 YMCYTKYUIUHJLL-LHSJRXKWSA-N 435.501 4.751 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2sccc2C)cc1C 170316686 WQYFGYHUYROXRM-OAQYLSRUSA-N 448.544 4.937 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(OC)c(O)c1 170321855 JNERNHIMTXZISX-QFIPXVFZSA-N 439.508 4.566 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC)c1 170324335 MFCGHRNDZCEEJN-OAQYLSRUSA-N 441.911 4.902 30 10 IJEE C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCCN(CC)CC1 460565136 YQEIUSCBQZQFIS-UHFFFAOYSA-N 431.584 4.632 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 464347085 UZBGVZULUXRCLR-LJQANCHMSA-N 426.929 4.696 30 10 IJEE FC(F)n1ccc(CN2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1 470537976 RLQTZJQIJOOJQY-CQSZACIVSA-N 429.311 4.889 30 10 IJEE Cc1cc(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)nn1-c1cccc(C#N)c1 503112478 ZUBOEXGZQRNJBZ-UHFFFAOYSA-N 436.397 4.509 30 10 IJEE Cc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)nn1-c1cccc(C#N)c1 505799752 VQIOJGPVMWNDLE-NRFANRHFSA-N 435.325 4.792 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508491667 UJIZNYWIIPPTJT-UHFFFAOYSA-N 445.592 4.984 30 10 IJEE C[C@H](N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1F 512665502 GGVWLZRBZVXJKD-WNSKOXEYSA-N 426.488 4.680 30 10 IJEE N#Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 526675113 UKLZRMWCOPEMQW-UHFFFAOYSA-N 429.863 4.573 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccc(O)c(Cl)c1 526826677 BOXVQXMMUYYOAO-FMCGGJTJSA-N 444.944 4.551 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1cccc([N+](=O)[O-])c1 526829466 KQRYSMQWHMQUMM-BKUYFWCQSA-N 440.485 4.612 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(Oc2ccc(F)cc2F)CC1 533240216 ZHPRLYPUHAGOIE-INIZCTEOSA-N 445.535 4.698 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)cc(OC)c1OC 541425515 RHRCVTOJEWCEPG-OAQYLSRUSA-N 437.584 4.555 30 10 IJEE COc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586257765 ROVKTBCWNDPOAW-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)NCc1ccc(C#N)cc1F)C(F)(F)F 614252133 SBOXSYMOFUXTRC-FQEVSTJZSA-N 445.420 4.603 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3)[C@H](C)c3cccs3)cc2C1=O 642073210 XSDZQLKKTJIVOR-QGZVFWFLSA-N 430.529 4.934 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 670215161 YBZRUPQSSLIVOI-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE C[C@@H](SCc1cc(Cl)ccc1OCC#N)c1nc(N)nc(Nc2ccccc2)n1 735318045 IJRFOADHBONJCK-CYBMUJFWSA-N 426.933 4.748 30 10 IJEE C[C@H]1CN(Cc2ccc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2)C[C@@H](C)O1 739598149 DXBOHZSZAPFTTK-KDURUIRLSA-N 445.588 4.826 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cn1c(C)nnc1-c1cccc(C#N)c1 739847917 YHORIVVPBIMUJW-UHFFFAOYSA-N 440.320 4.673 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1 742215348 VSKVSFOIGIKAJK-JOCHJYFZSA-N 433.577 4.986 30 10 IJEE C#CC[C@H](NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 757008213 JFJLDCQFTWZTAS-QFIPXVFZSA-N 429.486 4.734 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c(Cl)c([N+](=O)[O-])c1 764315360 NXMUSBNTZCXGER-VXGBXAGGSA-N 425.750 4.761 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 796888182 KSCXGXQUSVPBJF-QRWLVFNGSA-N 429.501 4.776 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(CC(C)C)CC1 802598161 HSLTWJHHNXGZCG-UHFFFAOYSA-N 425.577 4.543 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCN(c3ccc(C)cc3)CC2)cc1 919911129 IDYBCGYBHWBOSD-UHFFFAOYSA-N 432.568 4.553 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cccs2)n1 1083958119 BSYOFTSRYAFDKR-UHFFFAOYSA-N 432.600 4.545 30 10 IJEE NC1CCC(CC2CCC(N/C(=N/CCO)Nc3ccc(Cl)cc3Cl)CC2)CC1 1088735263 FHVWLCGXHGLIDB-UHFFFAOYSA-N 441.447 4.810 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1126702532 OSCVMUGITHIGTP-RUZDIDTESA-N 444.572 4.604 30 10 IJEE C#C[C@@H](NC(=O)c1csc(-c2ccccc2OC)n1)c1ccc(Br)cc1 1129609224 QCQJTMSKXANMHA-MRXNPFEDSA-N 427.323 4.686 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c(OC)c1 1130165603 JOKPVCICFSVFGM-INIZCTEOSA-N 432.442 4.762 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cc1 1131565440 RXRJHLCGXFWVTP-HXUWFJFHSA-N 432.383 4.950 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cc21 1134572674 PBKCSQBORFBXTH-UHFFFAOYSA-N 444.466 4.631 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Nc3ccccc3C(C)(C)C)cc2)n1 1139833702 ODMPHBVRUIGQMG-UHFFFAOYSA-N 444.579 4.846 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 1142996008 KKXXHGWWVDTOIN-GFCCVEGCSA-N 443.356 4.833 30 10 IJEE CC[C@@H](CC1CCCC1)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1144758550 HCNMMDRQHMAOME-RXVVDRJESA-N 432.406 4.764 30 10 IJEE CCc1ccc(Br)cc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1156559388 CLLKWFUQXNWDKP-HXUWFJFHSA-N 446.776 4.688 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CSc1nccn1-c1ccc(C)c(C)c1 1157541405 BUCMEAFRRWQRFN-UHFFFAOYSA-N 437.613 4.964 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)OCCCC)cc1)c1ccc(Br)cc1 1198100809 APEGMQPEXNJTOE-LJQANCHMSA-N 429.314 4.902 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccc(NC(=O)OC)cc2)cc1OC 1200681857 KGLZWOZAQFRVPW-UHFFFAOYSA-N 449.345 4.533 30 10 IJEE C#C[C@H](NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F)c1ccccc1 1225465284 LCODZUVKKFCIQB-INIZCTEOSA-N 441.247 4.520 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(c2nc3ccccc3o2)CC1 1256626898 OCKXVKZLRITMNJ-UHFFFAOYSA-N 429.524 4.611 30 10 IJEE C#CCN(C(=O)c1cc(C)oc1C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1265210265 OAXIDDWPIODWPP-OAHLLOKOSA-N 442.231 4.969 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1nc(C)cs1 1286306443 VBJPYEUNSHAVOD-WMZOPIPTSA-N 425.627 4.905 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1C[C@H]1c1ccccc1 1286368742 PUNPARKTWSDIAH-HOTGVXAUSA-N 427.371 4.642 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(N(CC)CC)CC1 1286585107 ARAVWJCNTMGHKP-SFHVURJKSA-N 432.012 4.958 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286612872 LQVJRKZKIUOSRC-JOCHJYFZSA-N 442.604 4.542 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC2CC(OCC)C2)CC1 1286636887 MVSDYDVBAVEXAL-UHFFFAOYSA-N 437.588 4.509 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)Cc2cccs2)CC1 1286654139 BAVZEHAUPWIZMN-CYFREDJKSA-N 444.645 4.661 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286668002 OLOATEAEVPMURQ-ILWGZMRPSA-N 426.605 4.662 30 10 IJEE C=CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(CC)CC(C)C)c1ccccc1 1286678737 DESFXFLMGVFJNC-HXUWFJFHSA-N 435.572 4.848 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1C[C@]1(C)OCCc2sccc21 1286681116 QNQPXSUVYLXBSQ-XXBNENTESA-N 430.618 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCC1CCN(CC)CC1 1286751297 OUCSQVOOQPWTNR-OAQYLSRUSA-N 429.634 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CC1(c2ccccc2C)CCOCC1 1286753509 DWVWVQCCLJHJIK-UHFFFAOYSA-N 431.584 4.519 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)c2)c1 1290115678 ALNGFOSVGPUUHJ-SANMLTNESA-N 425.532 4.704 30 10 IJEE C#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CCC2 1298689574 JLFPMTROAPXUSZ-DGDHUYAWSA-N 430.935 4.879 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC2(CCCCCC2)C1 1300421848 TUPWQPOEDDHXGB-UHFFFAOYSA-N 436.600 4.817 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1CCCCC1 1300562951 ASTKTCLXPBHBFN-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nc(C)cs1 1300591336 NWWDLDAWWWTNNM-UHFFFAOYSA-N 447.608 4.565 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1300650827 XZTXHNVASIMJIZ-URXFXBBRSA-N 438.591 4.851 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(COC)CC1 1300974947 QOCNJMLIZOPESP-UHFFFAOYSA-N 444.645 4.731 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301190382 QUXMXMBZJWCKJV-UHFFFAOYSA-N 434.588 4.783 30 10 IJEE CCCn1c(SC[C@H](O)CC#N)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)CC)C3 1307268797 BUSGOCIMWNUSMX-LSDHHAIUSA-N 433.643 4.776 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](C)CSc1ccccc1OC 1308255545 CJVQHHKVBOIYQR-MRXNPFEDSA-N 434.399 4.988 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CCCC1(C)C 1310017876 SFMUNYZYJGKSBN-RXVVDRJESA-N 433.618 4.706 30 10 IJEE C=C1CCN(C(=O)Nc2cc(Br)cc(I)c2C)CC1 1311064881 SUTYIJKBHTXQEL-UHFFFAOYSA-N 435.103 4.546 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 1311664852 FPHYQBWBCYVBLV-OAQYLSRUSA-N 426.944 4.610 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C[C@H]2CCCO2)C1 1321323273 BYJIWHKJPYHANL-CTUHWIOQSA-N 448.567 4.532 30 10 IJEE CSc1nc(O)c(C(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1C#N 1338344636 DXHGJEICZIKDAI-AWEZNQCLSA-N 438.578 4.954 30 10 IJEE C#CCCCCCC(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1350046874 FXJNHCZNKMEYBY-DTQAZKPQSA-N 439.364 4.730 30 10 IJEE C=CCC(F)(F)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)c2ccccc2)c1 1352316125 DVEMJOQROCXRFX-UHFFFAOYSA-N 428.888 4.705 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccoc1 1359103280 MHDCBWJUBXUOMV-URXFXBBRSA-N 436.556 4.630 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C(C)C)CC1 1359156432 FMQVOLICNCIGGD-UHFFFAOYSA-N 426.417 4.507 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCN(CC)C2)CC1 1359162034 AJBAGYFYQKAJLR-QFIPXVFZSA-N 437.632 4.868 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1359195280 JSGAAVSTWIRIJX-RPWUZVMVSA-N 438.616 4.785 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1cc(Cl)c2c(c1)OCCO2 1359197348 LWQCNEOQJMCYSM-LJQANCHMSA-N 446.979 4.785 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C2CC2)C1 1359203837 XAQKIJWCOLATNT-NRFANRHFSA-N 443.636 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(C)CCO[C@@H]1C1CC1 1359235341 WJTWYNNYMVVGGJ-NQIIRXRSSA-N 449.368 4.674 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@@H](C)C1 1359244556 ICRJDTCBEZBSAQ-LSDHHAIUSA-N 425.360 4.601 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1359258962 IEYOCFYQSUUEAV-AZGAKELHSA-N 445.611 4.908 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC(C)C)c3cc(Cl)ccc3OC)cc2C1=O 1360840343 MXHHHHVBKZWCEH-HXUWFJFHSA-N 440.927 4.648 30 10 IJEE C#CC[C@]1(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)CCCN1C(=O)OC(C)(C)C 1435119699 ORBAOUAHHROPNE-HSZRJFAPSA-N 440.569 4.553 30 10 IJEE Cc1cc(NC(=O)CCOc2ccc(Cl)cc2Br)c(C#N)cc1N(C)C 1436579293 FFADYUYLIVAOCY-UHFFFAOYSA-N 436.737 4.756 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)c1 1441547878 OBPROVXCVVFTQP-NRFANRHFSA-N 443.977 4.718 30 10 IJEE CCCCc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 1443661203 DHIGQUBUNDZWRW-JOCHJYFZSA-N 440.385 4.814 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 1448879922 BWZKMHQOAIKYCI-NRFANRHFSA-N 449.364 4.675 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNc2ncc(C#N)cc2F)C1 1458393779 HPRCUOBICXEXDK-IEBWSBKVSA-N 428.483 4.684 30 10 IJEE C#Cc1ccc([C@H](OC(=O)COc2cccc(Br)c2C#N)C(F)(F)F)cc1 1460043038 SLHJASHLJXYAIG-SFHVURJKSA-N 438.199 4.528 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)OCC 1462155831 KWGLSEILVLTLDZ-MRXNPFEDSA-N 430.957 4.870 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc2cccc(C(F)(F)F)c2nc1O 1463894746 BHKIFASBAISBKO-UHFFFAOYSA-N 438.327 4.760 30 10 IJEE C[C@H](C#N)CN(C)S(=O)(=O)N(C)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1 1464581540 GZYNQYPKYIOVDP-CQSZACIVSA-N 442.368 4.554 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1470664885 AOZLCVSEWXKNQO-VFNWGFHPSA-N 434.342 4.895 30 10 IJEE C=CC(C)(C)CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 1475293954 FYMZDMHMPZMLMG-UHFFFAOYSA-N 428.323 4.871 30 10 IJEE CCCc1c(NC(=O)NC[C@@H](CC)Oc2ccccc2F)cnn1-c1cccc(C#N)c1 1476433027 AVERVONXMBTRES-LJQANCHMSA-N 435.503 4.815 30 10 IJEE C#Cc1ccc(NC(=O)N(C[C@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)cc1 1477192596 VCIZBRWIBFFWQF-IBVKSMDESA-N 428.532 4.875 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC)c1ccc(F)cc1 1477897636 BILWTYXGVARVAL-UKILVPOCSA-N 448.494 4.615 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)C1 1497678544 DENLSMUZJSUOAF-UHFFFAOYSA-N 448.615 4.672 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCC1)c1ccco1 1501814831 DTCGCGZBVYNBSA-QFIPXVFZSA-N 432.572 4.873 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCCC2)C1 1507595792 VICROPMZCCQNRU-UHFFFAOYSA-N 436.600 4.717 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1C[C@H](c2ccccc2F)C1 1507658534 CXRFZFSDTGJJMO-LUBSMZHTSA-N 434.559 4.527 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1507682201 LHMCYHQJRZLECA-JOCHJYFZSA-N 449.002 4.599 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC1 1507795377 HYQPTJQGPPJMGI-PKOBYXMFSA-N 431.378 4.535 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1507827372 LMJOBJJVBDFNIH-GOSISDBHSA-N 429.565 4.506 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1507876570 MLSPUKAGNXGVHJ-WKCHPHFGSA-N 437.588 4.507 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2ncc(C)s2)CC1 1507887304 BVMFEJODJBPONF-MRXNPFEDSA-N 427.549 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)OC(C)(C)C1 1507911418 LOGVXFZWIACGHY-QGZVFWFLSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1507918939 ADUIZSZAMMZSCH-YPAWHYETSA-N 443.680 4.864 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1507919639 GOBXCVVNBAFGAP-UYAOXDASSA-N 430.618 4.979 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCOC(C)(C)C1 1507919781 QFTSDICFNYKYSE-UHFFFAOYSA-N 430.618 4.797 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnc(C)s1 1507929294 PMMGUQDPELZPKZ-NRFANRHFSA-N 439.585 4.786 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H]1C)C(C)C 1508011948 XRGFYUFWMZPGRU-PQNGQFLHSA-N 432.616 4.750 30 10 IJEE C[C@@](O)(Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)c1ccsc1 1510231538 CEXUXGKQFVKXBO-JOCHJYFZSA-N 441.988 4.698 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)Oc2ccccc2Br)cc1OC 1514990963 YOMBWRRQTSFYFT-TYZQSYOASA-N 446.341 4.619 30 10 IJEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCC(C)C)CC1 1519744249 IFLYKFMLYHHUCB-GOSISDBHSA-N 427.618 4.600 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)c(C#N)c2[C@@H]1C 1524020256 GCWCKXMWDIXXPS-GHMZBOCLSA-N 442.484 4.851 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(C(N)=O)cc1)c1ccc(C)c(C)c1 1524803425 OGWLQIYZJPQEHW-UHFFFAOYSA-N 428.532 4.743 30 10 IJEE C=CCCCN(CC)C(=O)c1c(I)ccc(Br)c1F 1537365056 YVVNYTGLHQAJFT-UHFFFAOYSA-N 440.094 4.621 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1cscc1C 1539296230 NIWPVNJVZJFXAS-HXUWFJFHSA-N 448.592 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCSC1(C)C 1539328236 ORAOQYVUMQAILK-LJQANCHMSA-N 427.017 4.517 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC(F)F 1539618882 BPCFINNRVQKFSN-HTAPYJJXSA-N 441.526 4.874 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCCc1ccccn1 1539624025 PRLZWKBKZQKEQP-ZJSXRUAMSA-N 431.584 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)Oc1ccc(F)cc1 1539674399 ULIVBAOLONYICW-INIZCTEOSA-N 429.565 4.643 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1539946404 AUDSMUUYFKTQIZ-NRFANRHFSA-N 449.624 4.767 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=O)Nc1ccc(F)cc1 1540054332 PFLASEYSRJDRMC-OAHLLOKOSA-N 439.560 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1540161963 JCYVXXMTGBROEH-UGKGYDQZSA-N 438.572 4.694 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@]1(C)CCCS1 1540180921 ZBOLJLBDXUMOMI-VWLOTQADSA-N 433.625 4.785 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(C)(C)c2ccccn2)C1 1540883851 FXALUAJXHJYBCX-XZOQPEGZSA-N 445.611 4.974 30 10 IJEE C=CCN(CCc1ccco1)S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 1561420300 KFPWXFONCIHYAY-UHFFFAOYSA-N 442.484 4.841 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCc2ccccc2)nc1)c1ccc(Br)cc1 1562214978 IMOHZCUUBUPSFT-FQEVSTJZSA-N 436.309 4.919 30 10 IJEE CSc1ccc([C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)N(C)C)cc1 1562705688 IBSGDWAOHGFVEG-QGZVFWFLSA-N 438.475 4.603 30 10 IJEE COc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)CCO2 1562787865 GLGODJINRHLDTH-FQEVSTJZSA-N 445.523 4.695 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCCC1(C)C 1564041794 LVYZYAVALKBQAS-RTBURBONSA-N 435.515 4.560 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 1584707800 FVXDFOBHNAVHSC-IBGZPJMESA-N 443.341 4.578 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)ccc1OC 1587579492 HAYLAQNTNPVCEA-HZPDHXFCSA-N 438.572 4.785 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](CCC)C1 1587718938 QUYRYTVRRZMAQW-UYAOXDASSA-N 426.630 4.940 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1589381580 GMHFAPPTDSDSNU-UHFFFAOYSA-N 436.304 4.817 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)c1ccccc1 1589390598 OSEQJCVATOBPDT-JTHBVZDNSA-N 430.552 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCc1ccc(OC(F)(F)F)cc1 1589669497 XHDMAKOGRBINPI-UHFFFAOYSA-N 445.489 4.808 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1ccc(C)o1 1593666719 RRMSETBBBDFAIL-UHFFFAOYSA-N 431.334 4.734 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1593825957 GZIOJRFKIKDGJH-QGTPRVQTSA-N 446.979 4.738 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CSCCS2)CC1 1594064930 VMDYDQFNIDBJGD-INIZCTEOSA-N 437.034 4.612 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@H](OC)C1 1594591146 MGJQIGAYDYWFMZ-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccsc2)CC1 1594824639 NZRQQSVWXXQVSO-UHFFFAOYSA-N 443.642 4.672 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1595037444 FALIUGJTJCRJOI-AZUAARDMSA-N 440.588 4.568 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccccc1Br 1595814705 MLKFYBADZVVIBV-CZUORRHYSA-N 445.785 4.532 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)C)CC1 1595855159 ZSHHTGYVLDWQPH-UHFFFAOYSA-N 440.444 4.702 30 10 IJEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)cc1 1595890924 GCFTZTXDTBDIOM-KKUMJFAQSA-N 445.610 4.635 30 10 IJEE C=CC[C@@]1(C(=O)N=[S@@](C)(=O)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1611350604 CSXSEJLKFLZQNB-MMTVBGGISA-N 426.966 4.669 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H]3CCC3CCCCC3)ccc2c1=O 1622949709 CGBRJNNBLZYMRK-LJQANCHMSA-N 425.598 4.836 30 10 IJEE C#C[C@@](C)(CC)NC(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1624415194 LLNKSEMBSCUUKS-SQHAQQRYSA-N 430.548 4.778 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 1625286230 UFSXAPJLPUXXCZ-UHFFFAOYSA-N 428.326 4.586 30 10 IJEE C#CCOc1ccccc1NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1 1625436275 GRKWJRHXHWNLML-UHFFFAOYSA-N 447.535 4.820 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 1626554558 ZYEGFQHVEFKFDI-QGZVFWFLSA-N 446.238 4.855 30 10 IJEE Cc1cc(C2(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCCCC2)ccc1Br 1626657803 FFBQRQDMWQDHFM-OAQYLSRUSA-N 446.433 4.652 30 10 IJEE C#Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4Br)no3)CC2)cc1 1626918210 JBKJRUZVBTUEAH-UHFFFAOYSA-N 436.309 4.500 30 10 IJEE C=CCn1c(SCC(=O)N(OCC)C(C)C)nnc1-c1ccc(Cl)cc1Cl 1627592985 HFSFFQGTKWOLCG-UHFFFAOYSA-N 429.373 4.719 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4c(F)ccc(Br)c4C3)cc2n1 1627664433 ODQDCYIPINLKCX-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C3CCC(CCCC)CC3)[nH]n2)c1 1628031691 VCUUPTPUFYLILQ-UHFFFAOYSA-N 441.597 4.923 30 10 IJEE C=CC1CCN(C(=O)[C@@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1629117084 FMMPTGAJRWHIOT-FQEVSTJZSA-N 432.564 4.976 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1634030632 YICYDZFRDNAAGF-SFHVURJKSA-N 436.394 4.545 30 10 IJEE C=C[C@H](C(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 1636891960 TXJQEMLNBUJQQZ-MHZLTWQESA-N 440.587 4.907 30 10 IJEE C=CCC[C@H](NC(=O)CC[C@H]1CC[C@H](C2OCCO2)O1)c1ccc(C(F)(F)F)cc1 1638506155 ALWZFORYYMSKCC-CEXWTWQISA-N 427.463 4.530 30 10 IJEE CO[C@@H](c1ccc(Br)cc1)[C@H](C)Nc1ncc(Br)cc1C#N 1650915441 DNKWUWPATVFEDP-ZUZCIYMTSA-N 425.124 4.666 30 10 IJEE CC(C)c1cnc(SCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)n1C 1651842333 HSABJRCVUYGUER-UHFFFAOYSA-N 433.581 4.815 30 10 IJEE C=CCn1c(SCc2c(C)nn(C)c2Cl)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652349343 VEHAOUVPLDKHSI-NSHDSACASA-N 435.018 4.756 30 10 IJEE C=CCn1c(SCc2nc3cc(C(=O)OCC)ccc3n2CC)nnc1-c1ccccc1 1652360179 GUJNIHKRLQAWDF-UHFFFAOYSA-N 447.564 4.970 30 10 IJEE COc1ccc(C[C@H](C)CN(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 1653142062 DEOLEWPDZBJNKR-SFHVURJKSA-N 427.976 4.714 30 10 IJEE C#CC[C@H]1CCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 1655562397 DQCBJLUYBKUIML-IBGZPJMESA-N 433.552 4.828 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(c3ncc(C#N)cc3Br)CC2)C1 1655664231 BCBZQIYKPLJCOS-QGZVFWFLSA-N 449.393 4.579 30 10 IJEE C=C(C)COc1cc(CNC(C)(C)COc2ncccc2Br)ccc1OC 1657610782 OUHJSJLDTVMICN-UHFFFAOYSA-N 435.362 4.755 30 10 IJEE Cc1oc(NC(=O)[C@@H](C)N2CCC(c3cccc(Br)c3)CC2)c(C#N)c1C 1658419277 DIJVDTCBVXJNGQ-CQSZACIVSA-N 430.346 4.737 30 10 IJEE C[C@H](CN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)OC(C)(C)C 1658936641 AADHEIUDOLXEKN-MRXNPFEDSA-N 441.503 4.718 30 10 IJEE C=CCN(Cc1cc(Br)c(OC)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1659458938 KMHJEXANOLHPCN-SFHVURJKSA-N 438.387 4.682 30 10 IJEE C=CCCS(=O)(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1660785648 PCFYIQUEEWFQEP-GOSISDBHSA-N 445.437 4.650 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc1C(F)(F)F 1661812909 GPCKXGQTKUCLLU-UHFFFAOYSA-N 448.388 4.954 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 1663940905 AEYUPWYSWJUTQG-FQEVSTJZSA-N 433.558 4.739 30 10 IJEE C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1665478339 XBEQCGLWMCMHAR-QAPCUYQASA-N 432.351 4.843 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)C(C)C 1668862246 BPYDASHXFALVJY-FQEVSTJZSA-N 434.556 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C 1670349765 JCRUDCPUEAONOM-CJNGLKHVSA-N 442.869 4.862 30 10 IJEE C=CCC[C@H](NC(=O)NCc1c(Br)cnn1C)c1ccc(C(F)(F)F)cc1 1670826571 IQLCKZIAWUEUDF-HNNXBMFYSA-N 445.283 4.708 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 1671437862 GJUXQCJYLARIGJ-HXUWFJFHSA-N 449.580 4.511 30 10 IJEE Cc1ccc([C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)[C@@H](C)S(C)(=O)=O)cc1 1671685827 FGRNGRJARRKHDT-RDTXWAMCSA-N 433.599 4.522 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(OC)cc1OC)CC1CC1)c1ccc(Cl)cc1F 1674036485 PQCMUWHWAMFYCE-NRFANRHFSA-N 430.907 4.792 30 10 IJEE C#CCC1(NC(=O)NCc2ccc(Br)cc2Oc2ccccc2)CCOCC1 1677422755 VPPQYWXUQXMVRZ-UHFFFAOYSA-N 443.341 4.613 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cccc(F)c1F)[C@H]1CCOc2ccc(Br)cc21 1680787470 OALBDNXQXWUVLD-UGSOOPFHSA-N 449.295 4.957 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)CC1 1684479957 ABCZARAJEGTYGK-UHFFFAOYSA-N 436.987 4.845 30 10 IJEE C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1685418230 CLLODYLLWKHNKK-HNNXBMFYSA-N 442.332 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC1(CCOCC)CCCC1 1689860716 GKUJSQROTCWFCA-NRFANRHFSA-N 433.600 4.726 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1=CCCCC1 1690196155 ZQXURRNFGHAWJA-OAQYLSRUSA-N 428.378 4.539 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1C[C@H](C)C[C@@H](C)C1 1690233469 HRBMPYFZYFQTHP-HZPDHXFCSA-N 433.394 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1690236238 KDHDSTSPVRAYIB-WKDRNLAYSA-N 428.577 4.551 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1690273284 LPIPOUBOTDQMDV-XMMPIXPASA-N 439.991 4.764 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(OCC)CCCC2)CC1 1690365861 JCOIPPVNORMYMV-UHFFFAOYSA-N 448.409 4.552 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1690378725 BRXPJBMIQSUMPX-UHFFFAOYSA-N 432.515 4.826 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2cc(C)on2)CC1 1690402942 WANXISRNNCPEGG-UHFFFAOYSA-N 446.324 4.594 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)c2ccc(F)cc2)CC1 1690412925 CMSRSZBXTJLXRG-INIZCTEOSA-N 425.577 4.979 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1690428111 DYLKUTKUJXUADK-INIZCTEOSA-N 439.535 4.945 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(F)(F)C1 1690453354 ANXVMGYKNKZQIX-UHFFFAOYSA-N 441.320 4.918 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1690549914 MWJSPQZIJPIVRU-CLOONOSVSA-N 441.595 4.662 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1COCC)C1CC1 1690553808 IRNVCUKUTRDBRO-DHIUTWEWSA-N 438.616 4.936 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CC1(COC)CCOCC1 1690576299 VEXGKHNOKGTLOO-UHFFFAOYSA-N 442.585 4.544 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1690637766 MBGQGMKQAREZBL-SFHVURJKSA-N 429.996 4.697 30 10 IJEE Cc1nccn1-c1ccc(Cn2c(C3CCC3)nnc2N(CCC#N)CCC(C)C)cc1F 1693381695 CQYMPVMWGQZNNR-UHFFFAOYSA-N 449.578 4.993 30 10 IJEE C[C@H]1CCCC[C@@H]1OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1693640975 AZRXSZWELLUTOZ-PXNSSMCTSA-N 429.515 4.648 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1Cc1nc(C(C)C)cs1 1705601363 HAMMXAAJSDBPGA-UHFFFAOYSA-N 447.608 4.565 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705722785 ZKNVEWWOBSLJKZ-AEFFLSMTSA-N 437.544 4.617 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2oc3ccccc3c2C)CC1 1705775812 NBZZBMUJJDYAET-UHFFFAOYSA-N 435.572 4.702 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2CCCCO2)CC1 1705777061 WGAGSHAOYKWING-NQIIRXRSSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CCCCC2)CC1 1705809285 MUIFMENUFWDCTJ-UHFFFAOYSA-N 437.632 4.977 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccc(C)c1 1705831445 RVTQTQLVDJDVIY-JOCHJYFZSA-N 437.613 4.876 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1=O)C1CCCC1 1706490548 ABRLALNNTCNDNN-UHFFFAOYSA-N 448.615 4.624 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CCN(C)C3CCCC3)cc2C1 1708023184 FNCSMCOWRYISPQ-QZTJIDSGSA-N 440.661 4.744 30 10 IJEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)SC)CCO1 1709551330 FCKNFNOQOJTVDN-HXUWFJFHSA-N 427.618 4.744 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1722400788 ZIOKABNNOKRLOZ-UHFFFAOYSA-N 443.526 4.773 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 1722452122 RMUJQHJSISXZQS-FXAWDEMLSA-N 448.633 4.501 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1722524686 LIBKKCCBKFFHGL-RBUKOAKNSA-N 430.980 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722586122 TYRNMJWBHLYKTH-UHFFFAOYSA-N 444.023 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](OC)C1 1722587344 LBSSHQVWJWPWAV-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722606489 ACMTWSNXHPNZCH-HOCLYGCPSA-N 437.357 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1722634405 OMKXDGJCQPBNQW-YADARESESA-N 428.577 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1722668638 VKUYRPRPERIULO-MJGOQNOKSA-N 441.576 4.670 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722735949 SZTYMBUBPPTAHT-OAQYLSRUSA-N 436.629 4.828 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@H]1C 1723386499 AZEYTMFBUDQPLT-JPYJTQIMSA-N 429.996 4.916 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(OC)CCCC1 1740663234 CVQZOOFRPQEKPW-UHFFFAOYSA-N 435.597 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC[C@H]1OC 1740663472 JWVGMWQCTUQOPT-ZJSXRUAMSA-N 431.584 4.627 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@@H]1C 1740711689 RQGIZYXJUCSSGF-QUCCMNQESA-N 433.625 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCC[C@H]1OC 1740724395 BQFMNPQYWNTWLU-DCDYHQBJSA-N 436.600 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(SC)CCC1 1740726181 VLQMQEMLHLOUJX-HTAPYJJXSA-N 428.577 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccoc1C 1740756681 QPDVTBCLGLYIMG-ICSRJNTNSA-N 427.936 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740757677 QXBUGKKZNHWQDE-TWFHAPMSSA-N 446.542 4.662 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(c2nccs2)CC1 1740790409 YHLLAKQLPDUUKO-UHFFFAOYSA-N 437.613 4.941 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(Cl)nc2)CC1 1740828921 CTXGKUBDPJZZQT-UHFFFAOYSA-N 430.339 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(c3ncnc4ccsc34)CC2)nnc1C(C)(C)C 1740852251 LBWXUPKRANASAO-UHFFFAOYSA-N 439.633 4.509 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1)c1ccccc1 1740854253 MGNUNYRYOJXJGG-HSZRJFAPSA-N 444.583 4.505 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(CC#N)CC1 1740869813 AHWAIHYYMKCHQE-UHFFFAOYSA-N 444.377 4.812 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740870349 FGHCYHLQBSRYAK-UHFFFAOYSA-N 438.885 4.953 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1740914027 YXVKSXHSSCUHKC-HYBUGGRVSA-N 449.599 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1CC 1740920689 TXODSKYZRALYME-MOPGFXCFSA-N 427.618 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCc1ccccn1 1740923423 LTJSUZGUOPSOTL-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)OCC)C1 1740973663 BLQLHJOUYKLGJU-PKOBYXMFSA-N 444.645 4.728 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)[C@H](C)CC#N)c1ccsc1 1746077032 BUYHJQQIMMIUHS-UTKZUKDTSA-N 440.592 4.967 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1748655480 YZZNGEBSTPPJAV-LSTDLKDCSA-N 427.390 4.910 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(CC)Cc1cccs1 1749031627 DBIFSNWKFZVKDZ-UHFFFAOYSA-N 435.622 4.891 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1CC 1749118636 HTDOTFCTQSOYFA-VFSLUADLSA-N 428.552 4.917 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC=C(C)CC1 1749126013 ZJAAWKKAFAUPCN-FXAWDEMLSA-N 443.389 4.845 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 1749460640 DSZIMTUZWHRAGT-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C(C)C)N1CCCC1 1749473930 SLRMGTWLHZOERC-OAHLLOKOSA-N 438.439 4.512 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCCC1 1749590659 CSKZDAZMOSTWSM-UHFFFAOYSA-N 440.975 4.656 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1750305503 BUUQHDHYKBBWDY-VGOFRKELSA-N 445.658 4.592 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 1760130622 KHWCCVDEPAUAHB-ICSRJNTNSA-N 430.980 4.717 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760139614 JCXGYJCIRAYIAP-JOCHJYFZSA-N 428.527 4.670 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC=C(Br)C1 1760146104 BVTDIVNMFDUQKO-UHFFFAOYSA-N 436.357 4.704 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)CN(C)C 1760330889 FUJGMFZHXGTKGY-UHFFFAOYSA-N 440.455 4.759 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1760399697 CODPSWVWORVZGW-LJQANCHMSA-N 447.583 4.639 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760434684 JKLOZYFLYQONTP-UHFFFAOYSA-N 435.616 4.703 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCCn1nc(C)cc1C 1760483412 ONEOPUHYLNSORC-UHFFFAOYSA-N 445.546 4.575 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760534063 QYTJKBUSNSIQJA-SFTDATJTSA-N 437.632 4.543 30 10 IJEE Cc1nccn1CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1762354557 CVOIWNZHIRKGJS-KRWDZBQOSA-N 437.617 4.609 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C#N)CC1)c1ccsc1 1764921219 BXCWDOZFHCCMDM-HXUWFJFHSA-N 438.601 4.731 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)CCS1 1765306644 CBXJPOJCHFCUSG-OAQYLSRUSA-N 439.629 4.887 30 10 IJEE COCC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1769335358 FXUXRUJTDRRSTH-HSZRJFAPSA-N 445.970 4.561 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)C(=O)O 1858944461 CTOXFNNVXOABPH-IVZQSRNASA-N 445.475 4.551 30 10 IJEE Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4sc5c(c4C#N)CCC5)cc3C2=O)c(C)c1 1859480120 WIMVTCKVAOSSJF-UHFFFAOYSA-N 441.512 4.778 30 10 IJEE CCCCCCCCNC(=O)[C@@](C)(CC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861188669 LKJCVDUEFDNITF-ATIYNZHBSA-N 447.639 4.799 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 1862390068 VEMVKPNCFBWTBF-DEOSSOPVSA-N 442.515 4.908 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862398089 VIWVCBMWQIZTDK-QHCPKHFHSA-N 433.504 4.565 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@H]2c2ccc(O)cc2)cc1C 1862400638 JOUUHGYMASIRJC-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(C(C)C)cc2)cc1 1862533598 KTBUEVLVCPUFLR-DEOSSOPVSA-N 443.547 4.917 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc3ccccc23)c1 1862560805 JHYFAMJBUFLFMN-XMMPIXPASA-N 435.483 4.596 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862721398 NZBUZBWGSUJPCW-DEOSSOPVSA-N 426.516 4.820 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 1862953688 WUJUUQTXNDPHON-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(F)ccc3F)C2=O)c1 1863031901 MRWQCMVWXYPKIT-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCOc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2ccccc2c1 1865929534 OMUQDJOGRAAPFX-QHCPKHFHSA-N 446.547 4.953 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(C#N)c(-c2ccccc2F)nn1C 1866014250 ZGSAOCRWHJQQAV-NSHDSACASA-N 433.270 4.811 30 10 IJEE CC[C@](C)(NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866772318 RHTDRQXKBGYWCB-GJZUVCINSA-N 435.568 4.929 30 10 IJEE CC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866779516 FVBXDXBYULVKHJ-DHIUTWEWSA-N 447.485 4.892 30 10 IJEE Cc1nc(Nc2ccccc2C#N)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868490681 OZDKJEVRZNJBMZ-UHFFFAOYSA-N 446.986 4.809 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870694618 KRZNLCULGZFTLY-SFTDATJTSA-N 434.621 4.629 30 10 IJEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CNc1ccc(C)cc1C 1870832289 DCAWFPWLKXQKLC-OAQYLSRUSA-N 445.563 4.519 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(Br)cc2)cc1=O 1871004538 KVPJBLLRJVYJEF-UHFFFAOYSA-N 437.337 4.592 30 10 IJEE COc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)c1 1871348831 OANUDXHGFFXZNP-JLPGSUDCSA-N 448.563 4.648 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccco4)cc(C)c3C2=O)cc1 1871369305 DZXBRKCZACXZNI-SOFGKXIESA-N 430.412 4.610 30 10 IJEE Cc1cc(O)c(CN2CCC3(CC2)OCCO3)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871397107 KEKIJCXIGXQDTK-HAHDFKILSA-N 449.547 4.779 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871967171 XSWRQVKNKWXQRA-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)C1CC1 1872362390 SIPWJMUMICJMSZ-GOSISDBHSA-N 432.508 4.573 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccc(Cl)c(Cl)c2)C1=O 1873187542 QEFSINIBLOXUIW-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE COc1cccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCC3=CCCCC3)C2=O)c1 1873216633 LUZAVGUXSBRJFT-UHFFFAOYSA-N 427.504 4.649 30 10 IJEE CCOc1cc(/C=N/Nc2oc(Cc3cccc4ccccc34)nc2C#N)cc(OC)c1O 1873464046 UYIFICQALCRXGX-JFLMPSFJSA-N 442.475 4.849 30 10 IJEE COc1ccc(/C=N/Nc2cnn(C(C)(C)C)c(=O)c2Cl)cc1OCc1ccccc1 1873526429 FDIHRWNLEQUOOZ-DHRITJCHSA-N 440.931 4.685 30 10 IJEE Cc1ccc(/C=N/Nc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Br)o1 1873528670 FQTAUPCKSTXVNS-IFRROFPPSA-N 442.100 4.649 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCC)CCCC)n2Cc1ccco1 1873564597 XQSNWBNCGQKBHL-UHFFFAOYSA-N 435.572 4.903 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)Cc1cc(C)ccc1C 1873685504 WQQFQAHHGCIXBC-UHFFFAOYSA-N 436.577 4.922 30 10 IJEE COc1cc(/C=N/n2c(Cc3cccc4ccccc34)nnc2SC)cc(OC)c1OC 1874268282 PQYOOFFRFOABQI-MFKUBSTISA-N 448.548 4.652 30 10 IJEE CCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874340007 YGFFIVMNDPRKCR-YDZHTSKRSA-N 446.960 4.542 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2[C@H]2CCCO2)ccc1OCc1ccc(C)cc1 1874442348 ZHDKSARDEUVGKP-LSCMLXDISA-N 438.553 4.630 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 1874465583 QBDANQFYRQYSSS-SSDVNMTOSA-N 441.513 4.660 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(C)c2)cc1 1874465878 FVFYXIMZQDCFQU-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE COCCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1O 1874472861 AKVUWJITMOLMPB-SSDVNMTOSA-N 437.352 4.654 30 10 IJEE COc1cccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)c1OC 1874487748 QXJKTULSBFBHPJ-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cccc(OCC)c1 1874503717 WQKSWYXGNFVQAY-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CC(C)c1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874515160 SPQYYYCZZMADTP-LSFURLLWSA-N 449.895 4.982 30 10 IJEE CCOC(=O)c1ccc(COc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)o1 1874593837 DLNDYHMPYVHHLL-DHZHZOJOSA-N 436.460 4.949 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])Nc1nccs1 1874614609 VACZPYWATKMSEW-LREOWRDNSA-N 443.868 4.618 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2Cl)o1 1874621421 VTLIOBFWXCAAPL-QHHAFSJGSA-N 440.835 4.923 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1OC 1874634045 ITSSQMLXXBADJD-ZHACJKMWSA-N 439.552 4.772 30 10 IJEE O=C(COc1ccc(Cl)cc1)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707841 ZETFTYGRLVHPNC-ONNFQVAWSA-N 436.847 4.949 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1OC 1875103599 HFZLENZVVOAAQV-RMKNXTFCSA-N 438.501 4.818 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)CCOC 1875186397 UKWNDXUHRRGHIJ-VQHVLOKHSA-N 444.911 4.924 30 10 IJEE Cc1sc(Br)cc1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1879730323 LRZLWJLHKXITKZ-KPZWWZAWSA-N 426.185 4.517 30 10 IJEE CC(C)[C@H](COc1ncnc(Cl)c1C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1986478232 JTSPWLJBWMPXPW-SFHVURJKSA-N 430.936 4.842 30 10 IJEE C=C(I)CN1C[C@@H](NC(=O)OC(C)(C)C)CC12CCCCCC2 1992146507 URLVWGAOHLCENV-HNNXBMFYSA-N 434.362 4.627 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cccc(Br)c1Br 1992858000 MBUWSKVJTFZXLE-UONOGXRCSA-N 449.183 4.584 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NCCCB2OC(C)(C)C(C)(C)O2)cc1 1999365363 OVVBLDVTFDXQPG-SSEXGKCCSA-N 438.399 4.973 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(F)c2)[C@@H]2C[C@@H]21 2008449805 VFSKBBOQDQVUEM-IEGUWTFLSA-N 431.508 4.859 30 10 IJEE C=CCC1(NC[C@@]2(C)CN(C(=O)OC(C)(C)C)C(C)(C)C2)CN(C(=O)OC(C)(C)C)C1 2022142621 VUYCOUYXLXDXQB-QHCPKHFHSA-N 437.625 4.567 30 10 IJEE C#CC[C@@H](C[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076090217 AOCOTSRDVZDWQJ-BJKOFHAPSA-N 439.644 4.574 30 10 IJEE CC[C@H](c1ccc(C)cc1C)n1nc(C(F)(F)F)c(C#N)c1I 2079078106 KJWKHFBZEUPXBX-CYBMUJFWSA-N 433.215 4.994 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1ccc(C#N)c(Br)c1F 2107384889 ZATARJIAZRSLOS-DOMZBBRYSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)NCc1csc(C(=O)Nc2cc(Br)ccc2C#N)c1 2124698726 FVDDIFXQCMFPPP-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CN(Cc1cccc(CNc2cc(Br)cnc2C#N)c1)C(=O)OC(C)(C)C 2167612959 KKFQOGYEZOFSFM-UHFFFAOYSA-N 431.334 4.695 30 10 IJEE C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(C#N)cc2Br)N(C(=O)OC(C)(C)C)C1 2181149043 YXUGQCVEATVMQG-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE N#Cc1ccc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(F)c1Br 2193224555 JTQLCMBFYLOMOX-GOEBONIOSA-N 442.254 4.935 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(Br)cnc2C#N)C2(CCCCC2)C1 2198833734 KWTLGMSPSWIXMI-QGZVFWFLSA-N 436.350 4.664 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2235721583 DUHQZWZGZOGOLI-OXQOHEQNSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H](C)C1 2235728458 RDFFIMSLSOXSRB-PERKRYKHSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2235733058 SZWYBVPGFCVVRW-RTBURBONSA-N 435.406 4.957 30 10 IJEE C=CC[C@]1(COc2ncnc(Cl)c2Br)CCCN1C(=O)OC(C)(C)C 2259594170 NFEONEQCUVYEJC-QGZVFWFLSA-N 432.746 4.617 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCC[C@]1(C)CNC(=O)OC(C)(C)C 2262199828 LOYVETBYJFIAJI-RPBOFIJWSA-N 447.572 4.704 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Br)c(Cl)cc2C)C1 2266524443 RVGPHWJXAYPNCN-UHFFFAOYSA-N 441.753 4.656 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2281932588 NIPRQCWGUPOAHV-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(N)C#Cc1ccc(Br)cc1 2296222195 PPPWGYVSFFWZRC-VFXZUJCTSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@@H](O)C#Cc1ccc(Br)cc1 2296289479 SAAHDPPRGVRYTC-ZRNYENFQSA-N 434.374 4.587 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C1CC1 2296299332 UFKKNRIUFMMCDV-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCc1nnc(N=C2SC(=Cc3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)s1 2297453313 ASPRAROVLNWSIJ-UHFFFAOYSA-N 435.578 4.975 30 10 IJEE O=C1C[C@H](c2cc3ccccc3nc2O)c2c(ccc3c2OC(=Cc2ccco2)C3=O)O1 2297596050 JVFWQAKHJQNXKZ-MRXNPFEDSA-N 425.396 4.591 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2)C(F)(F)C1 2301094705 RKELUJVIRCIMDE-NRFANRHFSA-N 437.487 4.967 30 10 IJEE C=CCSc1nnc(C)n1N=Cc1cc(Br)c(OCCCC)c(OC)c1 2321168467 ALTVTQBMTLOXJW-UHFFFAOYSA-N 439.379 4.697 30 10 IJEE CC(C)OCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(Br)c1)C3=O 2322006953 UAKYTPSGEKWDSZ-UHFFFAOYSA-N 444.325 4.642 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccccc2[N+](=O)[O-])cc1 2322095706 CNPUZVFCHUUIFG-UHFFFAOYSA-N 425.514 4.517 30 10 IJEE C=CCN1C(=O)c2cccc(OC(=O)C(=Cc3ccc(OC)cc3)c3ccccc3)c2C1=O 2322131463 CGFNJYMPBXVRPK-UHFFFAOYSA-N 439.467 4.623 30 10 IJEE COC(=O)COc1c(OC)ccc(C=CC(=O)c2ccccc2Cl)c1Br 2323087570 JRRYHIBUKGYBAV-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccncc1)O2 2323701616 AXKNBERUFAQSJI-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE COc1cc(C=C2C(=O)C3CCN2CC3)ccc1OCc1ccc(Br)cc1 2323865999 GCSVRFDQMFZOCT-UHFFFAOYSA-N 428.326 4.672 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OCC(=O)OC 2324599168 JLFDHEUZOMWMBF-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 2325666310 KUKGJVIRIGSJHL-UHFFFAOYSA-N 431.488 4.894 30 10 IJEE COC(=O)c1ccc(CSc2nncn2N=Cc2ccc(OC(C)C)c(Cl)c2)cc1 2326780977 GCPJZYABMZUJOL-UHFFFAOYSA-N 444.944 4.680 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1O 2327576016 CWXPXUCRXWFCGS-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@]2(C)NC(=O)OC(C)(C)C 2327756040 PJFREGJPTJILOB-WSAILGMDSA-N 442.600 4.992 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(OC)c(O)c1 2328078785 KEAPOTVISPEIIV-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cn(C)c2ccccc12 2328579907 ONXIOOYWFDTVGN-UHFFFAOYSA-N 431.565 4.724 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccccc1[N+](=O)[O-] 2328846751 DYQPGLJYPDQTLB-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCCO)cc1 2329859394 LGPBLTATULEFSA-UHFFFAOYSA-N 426.561 4.662 30 10 IJEE CCc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2[C@@H]2CCCO2)cc1 2330935296 UPDIAHOLRWCHHZ-FQEVSTJZSA-N 437.525 4.775 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(OCCC)c1 2331101175 RXJQHIUSRMPQKU-UHFFFAOYSA-N 430.574 4.652 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccco2)n1N=Cc1c(Cl)cccc1Cl 2331232266 BTQAFXOGQOGGIM-UHFFFAOYSA-N 439.324 4.772 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccc(F)c2)cc1 2331494184 IVGWHCPAOIKSPZ-UHFFFAOYSA-N 437.544 4.860 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)C#Cc1cccs1 2338393916 XUPLPXALJDDLSU-KRWDZBQOSA-N 434.355 4.567 30 10 IJEE N#Cc1c(F)ccc(N)c1Sc1cc(I)ccc1Br 2338405655 GQJCNLVEDAUAQZ-UHFFFAOYSA-N 449.086 4.798 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339593828 LFPHUFXUWXGRSP-IBGZPJMESA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339606358 PQMYHHXZJZEAKK-QFQMRYFISA-N 443.397 4.608 30 10 IJEE Cc1cc(Br)c(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1Cl 2342486218 SSBJBSMWSSGIRB-GFCCVEGCSA-N 428.563 4.719 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 9697059 HKRHTFYUNMLOFP-UHFFFAOYSA-N 449.370 4.928 30 10 IJEE C=CCc1cc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC 18228269 GNIXOXQIBDZYBR-UHFFFAOYSA-N 445.541 4.968 30 10 IJEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1O 21238719 VPRMUFKXTKDXHL-ZIAGYGMSSA-N 432.303 4.712 30 10 IJEE N#Cc1ccccc1-c1ccc(CSc2nc3ccccc3c(=O)n2CCCO)cc1 22414255 KNELDMVHMRQRSD-UHFFFAOYSA-N 427.529 4.610 30 10 IJEE CC(=O)N1c2ccc(C)cc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccccc1C#N 32997562 VWTYSCIEDPMBNI-HSZRJFAPSA-N 445.548 4.911 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)c(OC)c1 34955306 XFCHIAQDYGCQCS-LCYFTJDESA-N 448.471 4.836 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 39840015 HTZLZJZPWPCROR-YKSBVNFPSA-N 445.515 4.699 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC)c1OC 40097654 PICWFAQJYXHDTK-OAQYLSRUSA-N 435.476 4.828 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 41358063 QAAVNGVSMSIWRW-HAHDFKILSA-N 430.456 4.777 30 10 IJEE COc1ccccc1N/C(=N\C(=O)c1ccc(C(F)(F)F)cc1)NCc1ccccn1 46126042 QYIYHDLLLQULOT-UHFFFAOYSA-N 428.414 4.507 30 10 IJEE COc1ccc(/C=C2\S/C(=N/N=C\c3ccccc3F)N(Cc3ccco3)C2=O)cc1 47138873 CEPXXIMYXPOWPA-ZJHZAIRNSA-N 435.480 4.934 30 10 IJEE CCOc1cc(/C=C2/S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc(Cl)c1OC 59598787 ZBNKWIKXKOLIHN-NDWSVSLVSA-N 446.912 4.679 30 10 IJEE COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)c2c1 65034323 JIYGBUVSGOAPHW-UHFFFAOYSA-N 432.549 4.692 30 10 IJEE C=C(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1 66063125 DDWPVILHDLANGI-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1cccc(C(=O)O)c1 101132892 NFFVKYXJUNBDSM-XAEZOWLJSA-N 443.322 4.937 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4cccs4)[C@H]3c3ccccc3)sc2c1 103229678 WJKBRXZPOGJMOR-LAFOYAEKSA-N 448.525 4.993 30 10 IJEE Cc1nc(COc2ccc(/C=C/C(=O)N[C@H](C#N)c3ccc(F)cc3F)cc2)cs1 111029849 YODOZZKTVDYNQU-AZJBKQKUSA-N 425.460 4.703 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 169925459 LIRRUHYMYAJYTK-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOC(=O)Cc1csc(N/N=C\c2cccc(OC)c2OCc2cccc(C)c2)n1 169941498 NHSDQNWIRFFXFX-CFRMEGHHSA-N 439.537 4.591 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 169961415 LFHOIWQXZZKTGH-NRFANRHFSA-N 449.846 4.557 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 169964722 IPZBCMMJMYGSJO-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2ccncc2)c1 170022696 KTDFLNJEMSDPTN-NRFANRHFSA-N 434.879 4.840 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)cc1 170113112 GMDYJMTYTHUBDU-XMMPIXPASA-N 449.547 4.577 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1OC 170125809 XWMYPZNOBVXUCY-QMHKHESXSA-N 435.520 4.787 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccccn2)cc1 170171594 BDILVEYFYSSWHN-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccnc2)c(C)c1 170188381 RASRMYAQWCQVFS-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccco2)c1 170279956 FYYHNZSNTJVBRE-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]1c1ccco1 170295274 NWFAPQITQKMUMM-HXUWFJFHSA-N 442.899 4.599 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)[C@H]3c3ccc(C)o3)oc12 170307440 BMWMVPXKTHHAFQ-NRFANRHFSA-N 444.443 4.516 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170403023 HJZJRLXMGCBBPJ-QHCPKHFHSA-N 439.471 4.663 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1 170421662 CLJSEBZWQMTQML-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170474402 WAOOJRLISFEMPD-OAQYLSRUSA-N 443.459 4.726 30 10 IJEE COc1cc(C=NO[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(F)F 254754567 MNBSUWZUUSNABE-SNVBAGLBSA-N 433.238 4.981 30 10 IJEE CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CCC(Oc2ncccc2C#N)CC1 437090380 AKYLZZFOHLXGFH-LMDPOFIKSA-N 426.542 4.712 30 10 IJEE N#CCCCn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)c2ccccc21 444353584 UBUIAMPKRSOQQW-HXUWFJFHSA-N 438.535 4.750 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC(c2nnc3ccccn23)CC1 460576772 PXICHWBOXGSJDL-UHFFFAOYSA-N 447.612 4.518 30 10 IJEE C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 466861828 QARJAOALGFBWEG-LIRRHRJNSA-N 433.321 4.987 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)C3CCN(c4nc5ccccc5s4)CC3)CC2)cc1 503845789 YWEICUWOEYJOOB-UHFFFAOYSA-N 428.561 4.700 30 10 IJEE Cc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1I 512963137 AFCMNLLFGBMEAN-AWEZNQCLSA-N 445.285 4.608 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](OC(F)F)C1 577443927 BYIMRJNAUGYSRZ-AWEZNQCLSA-N 447.313 4.600 30 10 IJEE COc1cc(CN(C)C(=O)NCc2ccc(C#N)cc2F)ccc1OCc1ccccc1 609253868 OHYLPILRPUUTKW-UHFFFAOYSA-N 433.483 4.627 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 619833779 RTPZKOZNIGYXJG-GOSISDBHSA-N 444.495 4.955 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 669815986 HSNFEDOSVFTYQN-IBGZPJMESA-N 437.613 4.581 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 670205956 DYPOKYNNHWBKIT-KRWDZBQOSA-N 446.386 4.878 30 10 IJEE CCOc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3F)N(CC)C2=O)cc1 743523806 DJYWRFNIAHKXHO-LJQANCHMSA-N 429.517 4.513 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C(C)=C\c1ccc(Cl)cc1 758872908 IPPFWQLIIUQYKU-BHWVZIDZSA-N 426.900 4.630 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c(Cl)c([N+](=O)[O-])c1 764315357 NXMUSBNTZCXGER-RYUDHWBXSA-N 425.750 4.761 30 10 IJEE CC(=NNc1ccccc1C(F)(F)F)c1cc2c(cc1Br)NC(=O)CO2 767358593 MOCZFPJQCHBWIZ-UHFFFAOYSA-N 428.208 4.635 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)n1 789041381 OWQCRYQPZLIMJH-OAQYLSRUSA-N 430.980 4.505 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CC(C)(C)[C@H]2c2ccncc2)c1=S 814229781 DNVILTUAKADQNF-JOCHJYFZSA-N 435.597 4.923 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(C2CC2)C(=S)N[C@@H]1c1cnc(-c2ccccc2)nc1 917929117 NAPMPQDXAMUSNW-JOCHJYFZSA-N 444.535 4.677 30 10 IJEE C[C@@H](OC(=O)c1cnc(-c2ccccc2F)s1)C(=O)Nc1sc2c(c1C#N)CCC2 920700991 FWOQESKHLJZNOQ-LLVKDONJSA-N 441.509 4.555 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1c(Cl)cccc1Cl 925043268 VVFQWFASXDPMBL-UHFFFAOYSA-N 437.226 4.820 30 10 IJEE C#CCOC(=O)/C=C\c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 1084295553 VHUFMOUXQCYJJT-HJWRWDBZSA-N 435.701 4.880 30 10 IJEE CC(=NNc1nc(SCc2nnc(C(F)(F)F)o2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084296113 SNQOCENMHHZVQS-UHFFFAOYSA-N 441.483 4.503 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)c1 1125756392 WOXGWJGXTBRTPI-DHIUTWEWSA-N 433.577 4.952 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 1126787600 XYGFDVMZPTVNAV-OAHLLOKOSA-N 429.314 4.859 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)C(F)(F)F)cc1 1128868464 PHLSXLISCCBIRO-QHCPKHFHSA-N 444.405 4.871 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1130302706 HJDJPNHUQUVFMC-IERDGZPVSA-N 430.317 4.970 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 1148743152 MNAWSIGDCBSLSD-CRAIPNDOSA-N 428.907 4.707 30 10 IJEE C=CCn1c(SCc2cnn(C)n2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1164489223 FZTAHHTZOQFONR-HNNXBMFYSA-N 428.631 4.764 30 10 IJEE Cc1cc(F)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cc1F 1165389335 GPAGMEFGMBDQBC-UHFFFAOYSA-N 447.466 4.819 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)Cc2ccccc2)c1 1168097474 XCSLOOBJSDHLLU-UHFFFAOYSA-N 444.556 4.650 30 10 IJEE C#C[C@@H](N[C@H]1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(Br)cc1 1182031124 GBWMSXYQZMYLNL-LEWJYISDSA-N 427.342 4.514 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(F)cc1I 1205757553 DNBJGURJUJNXQY-UHFFFAOYSA-N 427.305 4.786 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 1229989922 PAKKQGXIQGSPGC-WIYYLYMNSA-N 447.348 4.859 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1230511670 YHPJKTQBBPPVDW-FOMLIJIXSA-N 449.954 4.632 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 1233616031 ZXFKKPCSROTXCY-HXUWFJFHSA-N 431.577 4.601 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2C1=O 1264096065 KQSZIBKFWMPBKP-HNNXBMFYSA-N 447.560 4.805 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)s1 1268853578 BLHRCOLLURYFDO-UHFFFAOYSA-N 434.930 4.934 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)cc1 1273522094 KYLSFPUVQSLJQS-UHFFFAOYSA-N 449.293 4.705 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCO[C@H](c2ccccc2)C1 1286317221 KODGNKQMPREAFT-NRFANRHFSA-N 435.959 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@@H](C)C1 1286551274 LMUCNQWDWPHFLY-MSYCTHLASA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1CC1(N(C)C)CCCCC1 1286583160 JWLGDTFEIACANR-UHFFFAOYSA-N 425.621 4.832 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)c2nccs2)CC1 1286696596 JIRZZDOOPQZRBF-QGZVFWFLSA-N 443.020 4.904 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286705747 HINQBGXSGOHHHZ-ROKPMTFOSA-N 442.629 4.618 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H](C)CN1CCCCC1 1286741881 LSSHSVCSFMBKHZ-OAQYLSRUSA-N 432.616 4.732 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1Cc1oc(CC)nc1C 1286742607 QXSCLHRZPJPKEC-UHFFFAOYSA-N 430.556 4.907 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCSCC2)cc1 1286755498 AYJWJNNSSQQBHK-UHFFFAOYSA-N 435.597 4.626 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1286776788 ANZDIFLKGASFNX-PZJWPPBQSA-N 426.605 4.982 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(CCSC2)C1 1286777418 YSQWQJPJBAKWNO-LJQANCHMSA-N 425.385 4.683 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)Cc1csc(CC)n1 1286796414 RYAFTHVYLBKPEL-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(OC)CCCC1 1291516550 FWWHXXJSTBRJSA-LJQANCHMSA-N 437.588 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1300275257 RZQZKJKNRUKEHH-XSLAGTTESA-N 430.980 4.733 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@H]1CCO[C@H](C)C1 1300321477 NFKKDFHVIADQGW-BHDDXSALSA-N 438.616 4.952 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC=C(C(F)(F)F)CC1 1300345479 YFJKVYPSLQADQT-UHFFFAOYSA-N 440.473 4.838 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)Cc1csc(Br)c1 1300367210 ADYLFBCJXANYIG-UHFFFAOYSA-N 444.402 4.528 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CCOCC)CCCC1 1300438511 MVNPFZKXRYASIK-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@](C)(O)[C@@H](C)CC 1300648649 GQSZAPQXEOPBKK-UUOWRZLLSA-N 440.588 4.506 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1=CCCCC1 1300905658 UIPQJADFEOOJGA-UHFFFAOYSA-N 426.561 4.874 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1300935193 MXOJNMNNDOBLCF-MAUKXSAKSA-N 431.968 4.524 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](COCC)C1 1300964318 WJEQDXLZUGXWGX-HXUWFJFHSA-N 426.605 4.984 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCC(C)CC2)CC1 1301134285 HRNKBJHUCBPYHC-UHFFFAOYSA-N 437.632 4.608 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1301164459 UHYPXPVQRFNXKL-GMAHTHKFSA-N 437.632 4.750 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1301331271 ICVSYYHBHZFXNQ-QFIPXVFZSA-N 437.632 4.749 30 10 IJEE CC(C)(C)c1nc(CCn2c([C@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)cs1 1302040977 AOSDIOQZQAOPRQ-LJQANCHMSA-N 442.633 4.646 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)C[C@@H]1C 1305205299 HMEGPNPYILIZMA-SCTDSRPQSA-N 429.515 4.646 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1305347260 AFDWNWJDGQVYAZ-NTKDMRAZSA-N 442.567 4.567 30 10 IJEE C=CCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1307684211 KNISHBODXJWGDS-FQEVSTJZSA-N 435.351 4.594 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H]2CC)ccn1 1314584297 CXMFTQVWFWLOFB-DYESRHJHSA-N 432.597 4.997 30 10 IJEE C=C(C)Cn1c(-c2oc3ccccc3c2C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1343379631 WKVGFRSBTQURFQ-IBGZPJMESA-N 449.599 4.953 30 10 IJEE CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1 1350760558 AXZWQPJIIXSVND-UHFFFAOYSA-N 442.519 4.964 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CCC)CCC)c1 1352256837 NHHQYJFVIUVRRJ-UHFFFAOYSA-N 434.989 4.984 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1358923354 KYFKPHDFFMDNLI-LPHOPBHVSA-N 434.506 4.812 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCC(C)(C)COC 1359003616 RDMAUXKYZMGARE-UHFFFAOYSA-N 433.394 4.620 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359004601 CPPWWDNYFMOTEY-NHCUHLMSSA-N 444.627 4.709 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCC1(C)C 1359017551 JMVPBUJEQHFEIR-NRFANRHFSA-N 431.559 4.869 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1cc(Br)ccc1OC 1359071246 JFZZGIIWYJEIIQ-JOCHJYFZSA-N 445.405 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1Cc1cccnc1-n1cccn1 1359107661 SAPSNBZXSAFWNK-HSZRJFAPSA-N 441.583 4.851 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1359162952 LTYFMVKHVWZELZ-FQEVSTJZSA-N 443.567 4.790 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCCC[C@@H]2C)CC1 1359168356 QRVJHRXMXQRWRG-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1 1359194134 PWNDJQXVUODDJC-QHCPKHFHSA-N 448.615 4.688 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)N(CC)CC)C1CC1 1359248599 UXLZYKMGRFZLFE-QGZVFWFLSA-N 446.437 4.901 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cc(Br)cs1 1359288351 ADVAXENLESRYIO-UHFFFAOYSA-N 442.386 4.997 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCSC(F)(F)F)C1 1360784246 BARRYNCAGKNCAD-FQEVSTJZSA-N 448.518 4.733 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](C)CC)c1 1435213782 ALZGADXNPXQLGP-IRXDYDNUSA-N 434.989 4.886 30 10 IJEE C=CCCO[C@@H](C)C(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1435629569 UIKBAWAHZRCDRM-QMMMGPOBSA-N 439.253 4.877 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1 1436649343 SSHYDZPQTDQMFG-PMACEKPBSA-N 430.907 4.578 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1437969811 TZRBFHAKKCKZEM-UHFFFAOYSA-N 434.989 4.635 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 1443493817 MRMOQKQNRWEHIY-GOSISDBHSA-N 425.554 4.544 30 10 IJEE C=CC[C@H](NC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)OCC 1447556260 XNUCMWULFPHVLG-FQEVSTJZSA-N 440.927 4.611 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1456034226 HLMXTWNUQHAWOZ-XMSQKQJNSA-N 426.919 4.812 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1nc(-c2ccsc2)no1 1460782217 ZFDILFQYZJLGLH-UHFFFAOYSA-N 434.315 4.697 30 10 IJEE C=CCC1(C(=O)Nc2cc(C(=O)OCC)ccc2I)CCCC1 1462258610 CMTLNTKZRKZRHO-UHFFFAOYSA-N 427.282 4.543 30 10 IJEE COc1cc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1OC1CCCC1 1462844283 BFYXGFXVWQIWSL-CQSZACIVSA-N 434.945 4.581 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 1463558183 UQUJHXLJYGGAEV-UHFFFAOYSA-N 441.571 4.969 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2Br)cc1 1465340443 MLXYPOYMWFLDSI-IBGZPJMESA-N 442.357 4.604 30 10 IJEE C=CCn1c(SCc2nc(C)c(Br)s2)nnc1-c1cccc(OC)c1 1472999043 AVQAGAMIGSWCIO-UHFFFAOYSA-N 437.388 4.959 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1 1476713548 CAMMLOSIISNWQR-UHFFFAOYSA-N 433.434 4.516 30 10 IJEE Cc1ccc(Oc2cccc(NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c2)c(C)c1 1476990935 GJKADAMFXWYAMY-LJQANCHMSA-N 442.523 4.500 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507646208 RFENDYGSPNOMKW-RBUKOAKNSA-N 437.469 4.860 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507667552 UHVQFUFCUFWZQR-ZWKOTPCHSA-N 430.474 4.710 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCCc1nc(C)cs1 1507689484 MPAJLHPHYKBXPB-UHFFFAOYSA-N 432.597 4.684 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[C@@H]1CCCCO1 1507763968 IBAWRKDYZDQRNE-LJFZDNNRSA-N 426.536 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([S@](C)=O)CCC1 1507815578 SAZRVZFNAOAIFO-PMERELPUSA-N 428.646 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1sccc1C 1507818205 KZWUQDOGHQPWGM-UHFFFAOYSA-N 426.586 4.977 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1507836250 COPXHDHYHHVSLS-DNVJHFABSA-N 438.616 4.913 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1507879173 RSEQWUSSCGVMED-JOCHJYFZSA-N 444.366 4.711 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1507946225 LPDPTHZAXQQRFW-UHFFFAOYSA-N 443.567 4.886 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cccnc1OC)C1CC1 1507987875 MFIDPOXPXIBPHL-MRXNPFEDSA-N 439.947 4.678 30 10 IJEE CCC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1)OC 1514323073 BQFNTFJOGHNQLZ-LJQANCHMSA-N 446.393 4.653 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1 1520329223 AOKYVOJZVQHFPJ-FXAWDEMLSA-N 445.658 4.592 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)ccc1F 1523922322 ZUIIPCLYPXBNOD-JOCHJYFZSA-N 446.588 4.715 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)C[C@H](C)CCc1ccc(I)cc1 1525672540 DLHZFUJJLIHKCG-GOSISDBHSA-N 445.344 4.912 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)CCC(=O)N3CCc4sccc4C3)c2C#N)[C@H](C)C1 1527032079 HEQRIFZKFIWATD-UONOGXRCSA-N 427.595 4.671 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 1528714530 PQAXBAHMOGDPQM-QFIPXVFZSA-N 425.594 4.694 30 10 IJEE CC(C)(C)n1cc(C#N)c(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1 1531924042 GESIZSHUAOJXHS-UHFFFAOYSA-N 434.887 4.861 30 10 IJEE C=C(C)COc1cccc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)c1 1537048561 IIUSEDWGRNCWQQ-JCMHNJIXSA-N 443.532 4.993 30 10 IJEE CN(C)c1cc(Br)cc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 1538387121 DPXWBLKFLRIXRE-UHFFFAOYSA-N 428.208 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)c1ccco1 1538972387 HXGCUVYQKJTHRX-FPTDNZKUSA-N 440.956 4.772 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@](C)(C#N)C1 1539053028 YAWBDFCYKKRDKA-IBGZPJMESA-N 432.391 4.703 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCOC)Cc1ccco1 1539101726 GULTWVLPPQIWCD-SFHVURJKSA-N 438.597 4.791 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(OC(F)F)c(Br)c1)c1ccccc1 1539186250 NIMDGHALNXECKP-RUZDIDTESA-N 430.270 4.904 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC(C)(F)F 1539305436 AXYOYLFHBHICEX-UHFFFAOYSA-N 435.316 4.524 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)[C@@H](C)C1CCC1 1539491398 PGOOTHFOEAIYAT-IBGZPJMESA-N 439.629 4.529 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1csc([C@@H](C)OC)n1 1539546294 FSNCDKCYFFOULP-IVZQSRNASA-N 441.988 4.803 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2cnsc2)c1 1539579555 MDUOECPRMWCNPH-UHFFFAOYSA-N 448.953 4.535 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC1(C)C 1539580988 TZMGTRRNLUYUAD-UHFFFAOYSA-N 427.293 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(F)(F)c1ccccc1 1539649697 BQXUEXNHXUJMOH-QFIPXVFZSA-N 434.531 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCC[C@@H]1C 1539650722 UTOOJXKNXZGCCW-QYXIYQDXSA-N 426.605 4.988 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1539699831 HZEMLCHMPFCTFV-UHFFFAOYSA-N 428.540 4.949 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1539735768 PCEHFAZOXLRVHG-OAQYLSRUSA-N 448.596 4.558 30 10 IJEE C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C#N)c(Br)c1 1539831702 GAOGJOHFUUVICT-VIFPVBQESA-N 442.082 4.628 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 1539836584 VDGUSHFKDATHKA-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@@]1(OCC)CCOC1 1539931220 IPAWSBAHTJUIFO-LOSJGSFVSA-N 428.621 4.859 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@@H]1C 1540128640 NZQXPLMCJAJAAL-RXFWQSSRSA-N 433.600 4.626 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1OC 1540140157 KNNNWEIYKCQXAU-IFMALSPDSA-N 433.581 4.886 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCCC[C@H](COC)C2)cc1 1540877749 DUSILXGGDBVTJU-QFIPXVFZSA-N 447.583 4.515 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(F)c2)nnc1-c1cccc(OC)c1 1559382203 YGIHNUOGCPHHLX-UHFFFAOYSA-N 432.908 4.663 30 10 IJEE C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccc(Sc3ccc(Cl)cc3C#N)cc1)CCO2 1562953253 IBXZOQXIRIJEED-OYHNWAKOSA-N 443.956 4.775 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc(Cl)cc1F 1583578410 FTABZCGBUKHYJB-FYYLOGMGSA-N 448.881 4.526 30 10 IJEE C=CCOCCCNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1586439861 SQIZVQFKCIVKKY-UHFFFAOYSA-N 425.326 4.987 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(OCC2CC2)CC1 1587823497 SKXAFOFLOWCTJI-UHFFFAOYSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1c(C)nn(C)c1C 1587823768 YCDZTCZGPAEPHL-INIZCTEOSA-N 436.629 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1ccc(OC)c(Br)c1 1589207094 FVXFDRAIMPUJFV-JOCHJYFZSA-N 443.389 4.747 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1593684358 VSNULBVURMLJMP-GBESFXJTSA-N 447.624 4.566 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1593833958 HKPLETFLDQADSD-QGZVFWFLSA-N 442.951 4.597 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1594608588 QDRVUSRTWMKFAE-MOPGFXCFSA-N 434.588 4.514 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@H]1C 1594788472 NBJBGHKSMPFKFW-HUUCEWRRSA-N 437.357 4.674 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(C)C)C1CC1 1595058253 GAUSKDJIDWRMPT-HXUWFJFHSA-N 425.964 4.573 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1595062697 VVDVMODGTMRTIG-UHFFFAOYSA-N 447.583 4.653 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCO[C@@H]1C(C)C 1595204706 JFUJGURZZHBHRU-NZQKXSOJSA-N 433.556 4.840 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC2CC(OCC)C2)C1 1595701290 ZRSKBZRKEWTYTQ-CUYAVPTFSA-N 448.970 4.724 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCOC2CCCC2)C1 1595705862 FTKLZZZKWZDSNH-IBGZPJMESA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@]2(CCSC2)C1 1595900487 CNWSYKSBABIOAG-HSZRJFAPSA-N 444.670 4.727 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CC[C@H](F)C1 1597261340 ACPAMDVPCRCJCY-PMACEKPBSA-N 439.579 4.924 30 10 IJEE C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)Oc1ccc(Br)cc1 1623028989 BUXXMHYYBCWLSK-NSHDSACASA-N 440.244 4.511 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1 1623299521 DCGQQJQLFHHXBU-IAAVTCLWSA-N 427.346 4.811 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 1624916802 HKXNMMPWVKOIKA-RUZDIDTESA-N 432.545 4.792 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 1629419065 BBNXIESOZBROFK-VWLOTQADSA-N 425.532 4.532 30 10 IJEE C=CCN(CCc1ccco1)C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1631673747 CABIPLPUEJUNCE-OAQYLSRUSA-N 438.524 4.719 30 10 IJEE C=CCCC1(CNC(=O)N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)CCCC1 1636897375 ABSONLINNNUTCJ-GOSISDBHSA-N 443.617 4.713 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 1637243825 KLECZJXDGXLPBJ-KNQAVFIVSA-N 436.552 4.789 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 1637359191 OTUGMGJOFDMVSJ-UHFFFAOYSA-N 437.632 4.854 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)cc2)cc1 1638905890 GBGQQSRUYPOSTN-JOCHJYFZSA-N 440.503 4.665 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(F)F 1641216914 CUEUFHYVOSVBJK-IBGZPJMESA-N 444.482 4.580 30 10 IJEE CCN(CC)CCN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Cl)cc1 1643780076 GCNVYNSAUPCLAL-UHFFFAOYSA-N 433.383 4.648 30 10 IJEE C#CCOc1ccccc1NC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 1660837667 UHXMMKVELYONRR-UHFFFAOYSA-N 429.851 4.680 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)CC1 1664744018 CZJJNDJSDONHHQ-UHFFFAOYSA-N 434.446 4.983 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C(F)(F)F)cc1 1668177436 SOVRSENLPJHZJH-QGZVFWFLSA-N 428.432 4.908 30 10 IJEE Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1668202705 FDGOHIGMPJRVGR-UHFFFAOYSA-N 431.467 4.880 30 10 IJEE C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1670159305 GIMRHLJOTBGSEO-LBPRGKRZSA-N 432.286 4.943 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 1670474905 UQMURBFNORVOCE-UHFFFAOYSA-N 429.299 4.624 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cccc(C(F)(F)F)n1 1672214202 GSEXPQJTSJOPIM-UHFFFAOYSA-N 430.224 4.749 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)CCCC1 1674372657 SNVOPFZEXKFUGZ-UHFFFAOYSA-N 429.527 4.632 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)cc1C#N 1675652553 DTOXYVQIXSSKRD-FQEVSTJZSA-N 442.491 4.881 30 10 IJEE C#CCC1(NC(=O)N[C@H](c2ccc(OCC)cc2)c2cccc(Cl)c2)CCOCC1 1680826995 PVZLEAHLOHZQNO-JOCHJYFZSA-N 426.944 4.700 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1681205976 DDXUYLNZEVZTBE-LJQANCHMSA-N 439.600 4.671 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F)c1ccc(F)c(F)c1 1681555381 BDVWJSSZWFSBEJ-IEBWSBKVSA-N 448.819 4.985 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 1683106284 DFDRJKGJRQRQOP-NHCUHLMSSA-N 429.358 4.719 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](COC)c1cccc(Br)c1 1683575822 FYMKTDRQLVMACD-HXUWFJFHSA-N 433.346 4.543 30 10 IJEE C[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(NC(=O)c2ccncc2)cc1 1684592694 DBGLWDFBXZMRIQ-OSPHWJPCSA-N 439.519 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(CCOC)CC1 1689831162 GHYYGTOYJLDHMT-IBGZPJMESA-N 431.584 4.627 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1C(F)(F)F 1689866936 NIPSQKNITDSMHV-ILZDJORESA-N 448.533 4.916 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1689892236 BBBHLFQZLBKYQL-UXHICEINSA-N 443.636 4.678 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](c1cccnc1)C(C)C 1690001352 JLFYFBADLPLAEU-LOSJGSFVSA-N 425.580 4.728 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C(C)C)N1CCCC1 1690037167 OMMCUGNPKWVJND-RUZDIDTESA-N 445.655 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC1CCN(Cc2cccs2)CC1 1690205909 BPDWJPAUHPJIBN-RUZDIDTESA-N 439.673 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccccc1C 1690249791 ANFJIGIDQGZANL-KJWPAHLWSA-N 431.584 4.751 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@H](C)C1 1690560650 XRHZIGQRONUGII-DPLHUUCSSA-N 449.599 4.789 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCCCC2)CC1 1690736894 RPWNSEOUFOZTLQ-UHFFFAOYSA-N 439.673 4.881 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1694891658 GCIHROHGSVWBGJ-FQEVSTJZSA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC2CCCCC2)CC1 1705517874 AZCVWWMTJCHMDD-UHFFFAOYSA-N 437.607 4.514 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1705518368 PJAPJQFGKRBOQY-FQEVSTJZSA-N 445.652 4.754 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(CC)C1CCCC1 1705708585 DWTRAYDNVRPVHJ-DVECYGJZSA-N 440.588 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cn2cccn2)cc1 1705711691 CFVUOPWCZHZVAM-UHFFFAOYSA-N 447.974 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1705715009 PBZSIHCDWXYWSQ-XMMPIXPASA-N 446.599 4.588 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCCCC1 1705730927 QJICUHGNURUVCR-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCSCC(F)(F)F)CC1 1705764143 OZLLTRCOOAIJPY-UHFFFAOYSA-N 448.518 4.787 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1705767158 CYDLZMVWQWSPSN-LJQANCHMSA-N 447.583 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1705786702 WEEQBGTWPYKSAD-HXUWFJFHSA-N 432.341 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCCN(C(C)C)CC1 1705802349 IQBOMPRREZFLKG-UHFFFAOYSA-N 429.584 4.519 30 10 IJEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705804348 XXTOFIRWIGJVQW-OAQYLSRUSA-N 439.652 4.516 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@]2(CCCOC2)C1 1705812706 JKKIQYNXSBWGJE-NRFANRHFSA-N 449.368 4.820 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1705858276 JYHAKWMYVBVOPH-LJQANCHMSA-N 441.595 4.662 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705864520 DXFQGQBAXTYNJS-MDNUFGMLSA-N 442.579 4.913 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](OC)C(C)(C)C1 1705942127 IIAYVOPPQCIHAL-JXFKEZNVSA-N 446.686 4.912 30 10 IJEE CN(C)[C@@H](Cn1c(N(CCC#N)CC2CC2)nnc1C(C)(C)C)c1ccccc1Cl 1710999867 GDXYKJDRJVBCLA-FQEVSTJZSA-N 429.012 4.662 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CN(C)C(C)C)CC1 1722328209 RKCNRWRGWLQZDA-FQEVSTJZSA-N 441.595 4.527 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cc(Cl)ccn1 1722336975 SIGHCMYJRQGMSI-UHFFFAOYSA-N 432.915 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1Cc1cscc1C(F)(F)F 1722392748 SEVBHCBLHPDNKG-UHFFFAOYSA-N 444.482 4.545 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC(F)(F)C1 1722403700 ARHUXIXJZIBHLX-OAHLLOKOSA-N 437.332 4.911 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722483324 JDRQRRAWOGSXOY-OAQYLSRUSA-N 433.394 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)c1cccc(C)c1 1722501050 LHUFQAGYOCACEC-SQJMNOBHSA-N 426.605 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2csc([C@@H](C)OC)n2)CC1 1722576230 DFMLGABWUROGSY-OAHLLOKOSA-N 427.549 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722589721 NMPHVOYTVXITCX-HXUWFJFHSA-N 442.579 4.730 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1C[C@@H](C)O[C@H](C)C1)C1CC1 1722648300 MOQDHWAROWBMBB-QZTJIDSGSA-N 440.588 4.711 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1722743153 RVXITZRQVZBBEE-XLIONFOSSA-N 432.609 4.868 30 10 IJEE COC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)CCC(C)CC1 1729942860 BBJWKURBNKPJAJ-JXORXQGFSA-N 433.959 4.929 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@H](F)C1 1740631638 CRMXYYHTCNFAKK-ICSRJNTNSA-N 433.556 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)c1c(C)noc1C 1740733686 KDXYPNPSFFFTGE-NIYFSFCBSA-N 447.583 4.875 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC[C@H]21 1740737946 AGPMHHBXMFMOQF-UKRRQHHQSA-N 438.167 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1740756005 DVIUJRRLHNSWEW-NOXFTYBFSA-N 435.547 4.966 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCSC2(CCCCC2)C1 1740780882 TWXBXAUCOWKENX-UHFFFAOYSA-N 428.602 4.795 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740803616 LAXAXXHNMHQKFM-KDOFPFPSSA-N 444.004 4.991 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)Oc2ccccc2)CC1 1740819422 QDIDZEBZUVJGCL-INIZCTEOSA-N 442.361 4.660 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(O)CC2)CC1 1740832342 CIDNTXSWEHXFFB-KRWDZBQOSA-N 430.980 4.616 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@@H](O)C1 1740914347 PRCIMXBGWRXBKV-XZOQPEGZSA-N 438.616 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC=CCO1 1740922975 ARJGPFXQCBMXAP-QGZVFWFLSA-N 442.535 4.746 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCO[C@H]2C(C)C)C1 1740973601 AEOFVKJIRHMZHN-FCEUIQTBSA-N 445.007 4.831 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1741000032 LESRPRZXXVNCHL-UHFFFAOYSA-N 433.503 4.621 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H](C)C#N 1746990654 AIUVRISLLIAHLC-DLBZAZTESA-N 429.634 4.790 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1CCC[C@H](C)C1 1748656529 SBOMIBWKNSXOBC-ZWKOTPCHSA-N 444.023 4.576 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@]1(C)C#C 1748703036 UXOOYSHDOOHYSZ-AREMUKBSSA-N 428.536 4.913 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=C)Br 1748773190 UFLITVILGRREIB-HNNXBMFYSA-N 437.769 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@H](C)Cc1cccs1 1749079140 YULKWSHMFBWYMW-MHECFPHRSA-N 438.572 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)C1CCCCC1 1749137385 XZKDLWVNIRAJEW-JPYJTQIMSA-N 428.552 4.746 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC#N)CC1 1749214083 ULRCJMGXEMPVCM-UHFFFAOYSA-N 430.556 4.525 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1749222409 HLBNHCPPGUMFBC-VXKWHMMOSA-N 437.588 4.659 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCN(C)C2CCCCC2)CC1 1749304840 JBHISXFTMSPJNV-UHFFFAOYSA-N 425.596 4.819 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@@H](C)C2)CC1 1749316353 FVPHETYYZMCKNM-WCIQWLHISA-N 429.609 4.641 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1749557435 ITPJNNUINXPWBI-KSZLKVKMSA-N 441.664 4.640 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1Cc2ccccc2[C@@H]1C)C(C)C 1749557900 OBEIOUDEAGSJJF-TUACAJSNSA-N 435.616 4.909 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C1 1749703922 RMCUVLQTLLAVEA-HXUWFJFHSA-N 433.581 4.637 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C1CCCCC1)N(C)C 1760164762 ZIBFCAIPVGVDFV-GGAORHGYSA-N 437.632 4.615 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)c(F)c1 1760197046 PHPXTTCPOPCKMI-UHFFFAOYSA-N 448.567 4.544 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1Cc1cccc(OCC)c1OC(F)F 1760294131 NVIPOODBCLWUSM-HSZRJFAPSA-N 430.499 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)[C@@H](C)C1 1760321010 AINIQWUJSYEROM-OVCNXMPXSA-N 430.543 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(CC)CC(C)C 1760322992 ACIRREOVDYJRCP-URXFXBBRSA-N 426.605 4.937 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCC[C@@H]2CC)CC1 1760405679 BRQOLVQGWOWLLX-QFIPXVFZSA-N 441.595 4.663 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(=C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1760420184 KQLBZUAQMJEWSQ-JYFHCDHNSA-N 436.600 4.835 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCSC[C@@H]1C 1760432978 XUEAXHIYSYSUQY-ZDUSSCGKSA-N 425.371 4.755 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@](C)(CC)C1 1760568730 QYZSXWLSDUDGGQ-QFIPXVFZSA-N 432.659 4.803 30 10 IJEE CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccnc(C(F)(F)F)c2)C1 1765170512 HTWULXMWNUUXAX-HNNXBMFYSA-N 426.446 4.515 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccccn3)n2CC2CCC(C(F)(F)F)CC2)CC1 1770753086 BASDXONPGDECFS-UHFFFAOYSA-N 432.494 4.839 30 10 IJEE CCCCCCCCCCNC(=O)C(C)(C)NC(=O)CCc1ccc(OC)c(OC)c1 1861082430 VKYUXMBZASBXLA-UHFFFAOYSA-N 434.621 4.788 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2cccc(O)c2)c1 1862412017 UKLPKOOZYNSZPD-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccs2)cc1 1862626418 BBQRNUQIARNGDF-JOCHJYFZSA-N 447.512 4.818 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2)c1 1862699143 QOBVKKBKWVZTDW-XMMPIXPASA-N 427.500 4.825 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 1862735388 JMZNAWUQSVALCL-NRFANRHFSA-N 436.464 4.602 30 10 IJEE CCCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)cc1 1862921546 UDHAGPIEBVXLIB-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961701 HYZIJDSMSPOTHP-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862988209 GGVRSHRMGVEUGL-UHFFFAOYSA-N 448.482 4.614 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863495047 AUFXSBDCPKQCPF-UHFFFAOYSA-N 432.483 4.740 30 10 IJEE CC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccccc1C#N 1866972382 ACYPXJQGMCRZDT-ICSRJNTNSA-N 442.357 4.594 30 10 IJEE CCOc1cn(CCc2ccccc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870237083 MFXXXVFMVWZXQC-UHFFFAOYSA-N 433.577 4.974 30 10 IJEE CCCCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CC(O)C1 1870690898 BXBMGCMQADBLNG-UHFFFAOYSA-N 440.628 4.787 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(/C=C/C(=O)O)cc3)ccc2C1=O 1871381988 IOJNHIZLIFIGCK-HMSZGEISSA-N 442.423 4.628 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCCCC2)n1 1871693864 AFGSWDLLAOXGOY-UHFFFAOYSA-N 425.625 4.866 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCCCC)cc1)[C@H](C)CC)S(=O)(=O)CC 1872175823 WXNDHRJZMLPTAN-KNQAVFIVSA-N 438.634 4.837 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872225955 XDPUXTCIUUGVJS-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872282096 OJUIAYJHNJVZNC-ACJLOTCBSA-N 444.981 4.771 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1cccs1 1872296883 XBMLWXRXTLMRFF-SFHVURJKSA-N 426.991 4.550 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1cccs1 1872297337 DLHQHHADJMEJMD-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1)S(=O)(=O)CCCC 1872306214 YIQCALPFDZVXMG-NRFANRHFSA-N 434.989 4.946 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872435627 QDCSQPUUXQQZDT-QFIPXVFZSA-N 432.561 4.789 30 10 IJEE Cc1cc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccs3)C2=O)c(C)c1 1873324112 APNZPOPVPGUYCJ-UHFFFAOYSA-N 427.529 4.937 30 10 IJEE Cn1ncc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(Cl)c1=O 1873525920 FEPVYWOGZHUYQW-NUGSKGIGSA-N 437.714 4.766 30 10 IJEE CCCOc1ccccc1/C=N/n1c(Cc2ccccc2[N+](=O)[O-])nnc1SCCC 1874296782 RZSFBVZGCJTEME-XQNSMLJCSA-N 439.541 4.950 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874307445 XZHHFFJUHTWMJS-ZXVVBBHZSA-N 443.576 4.684 30 10 IJEE Fc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccccn2)c1 1874353887 HDLBJDHICUNOSF-VULFUBBASA-N 433.512 4.704 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 1874465288 BCONFHALCNEHHC-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCCO)cc1OCC 1874480067 GORJAAMDOXDUAW-HAVVHWLPSA-N 434.606 4.555 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)OCCC)nnc2C(C)(C)C)cc1 1874486909 PZXFLSKUDHDBLK-HZHRSRAPSA-N 432.590 4.682 30 10 IJEE CCCCOc1c(Br)cc(/C=N/n2c(CC)nnc2SCC)cc1OC 1874525670 ZXIZMAJPAJORAR-UDWIEESQSA-N 441.395 4.785 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(S)nnc2CCCOc2c(C)cccc2C)cc1 1874568382 VZKZMLPOBAUOLI-KOEQRZSOSA-N 437.613 4.924 30 10 IJEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)c(F)c3)ccc2OC)c1 1874707512 JCXATPMQMKEGFZ-JXMROGBWSA-N 436.435 4.967 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)c(OC)c2)cc1 1875114980 GYRGGFQZBDZSQR-RIYZIHGNSA-N 432.472 4.722 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 1875117104 IOKOXOABCDSCPR-OVCLIPMQSA-N 433.416 4.727 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3nc(C(C)C)n4ccccc34)ccc21 1890680664 NBWHFMASKZXMHY-UHFFFAOYSA-N 432.524 4.648 30 10 IJEE CN(C)CC#C[C@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 1891650629 LONGVTBYUSCLBM-NDEPHWFRSA-N 436.599 4.967 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)c(C#N)c1 2010517878 SYUJPDNIQVUBJP-IBGZPJMESA-N 443.931 4.650 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H]1C[C@H](OC)CCN1C(=O)OC(C)(C)C 2014392894 GGGRAOGILSQFFT-ZLNRFVROSA-N 432.605 4.542 30 10 IJEE C=CCN1C(=O)C(=Cc2csc(N(C(C)=O)c3c(C)cccc3C)n2)SC1=S 2040446282 FPBNAIIXLYTFNM-UHFFFAOYSA-N 429.592 4.832 30 10 IJEE CCOC(=O)C1CC(=Cc2cccc([N+](=O)[O-])c2)C(=O)C(=Cc2cccc([N+](=O)[O-])c2)C1 2053539547 GJQUNXDSRNLPMS-UHFFFAOYSA-N 436.420 4.512 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@@H]2CCCC[C@H]21 2058935643 WMPIFZFNDSAOBZ-YVHKJVDXSA-N 448.568 4.996 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cc(Br)cs1 2066515763 FCZPRNLDLTYWPL-OCCSQVGLSA-N 431.396 4.890 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079092011 ATNMTXRUKUBLID-OAHLLOKOSA-N 427.236 4.913 30 10 IJEE CC[C@@H](c1ccc(OC)c(C)c1)n1nc(C2(C)CC2)c(C#N)c1I 2079978964 JNPSQUPZDHLRMF-HNNXBMFYSA-N 435.309 4.727 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(CCOC)CCCN1C(=O)OC(C)(C)C 2082241190 VKZFQEOZSOWACJ-JYFHCDHNSA-N 446.632 4.934 30 10 IJEE C#CC[C@@](C)(CO)CNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2084842176 ODBNTROTAFZNEO-MUUNZHRXSA-N 429.560 4.956 30 10 IJEE C=CCC1(Nc2cc(Br)c(C)cc2[N+](=O)[O-])CN(C(=O)OC(C)(C)C)C1 2106017140 SVKOEZPCLMETKH-UHFFFAOYSA-N 426.311 4.643 30 10 IJEE O=C(NC[C@@H](Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F)OCc1ccccc1 2106018323 UOAVUMCZIWEICK-SECBINFHSA-N 428.279 4.651 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2N1c1ccc(C#N)c(Br)c1F 2174766124 UPELPEWVWBDQAI-VHDGCEQUSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(c2ccc(C#N)c(Br)c2)CC1 2174768010 QJZXORDNHHPENA-HNNXBMFYSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2Br)C[C@H]1CC(F)(F)F 2176098225 BWTJUTJYCIYMRU-CYBMUJFWSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N[C@H](CC#N)C(F)(F)F)cc1Cl 2181053764 OYUPDHBGYQBWSM-LLVKDONJSA-N 426.222 4.915 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2201017743 VBLVMKZCRJBNMF-RBUKOAKNSA-N 439.394 4.805 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@H](CC)CN1C(=O)OC(C)(C)C 2235727206 JYSFKOMGTRURMF-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2235729097 NFSFYBBSFLOJKR-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2235734356 WNTNNGAVXNZSRT-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2235747242 OKNNHSZRBFJOKK-IMFGXOCKSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)C#Cc1ccccc1Cl 2245956494 RBRBSXLDUZEDNZ-HXUWFJFHSA-N 427.928 4.761 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)C#CC2CCCCC2)C1 2251386223 IFTXOJATJLKTHZ-AREMUKBSSA-N 425.569 4.983 30 10 IJEE CCCN[C@@H](C#CC1CCCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2260981184 NDTLBJMLRVLNJA-VWLOTQADSA-N 441.660 4.965 30 10 IJEE CN(Cc1ccc(I)cc1)c1cc(Br)ccc1C#N 2265599132 MOYKEWOJVXSXLD-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CCN(CCCOCc1ccccc1)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 2285397830 KJNZCHRAKGEFDC-UHFFFAOYSA-N 446.400 4.967 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CC[C@]1(C)NC(=O)OC(C)(C)C 2289879004 COARIMPKTFZCJH-QIJUGHKUSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 2296219894 SLXPDIHDVFJZIM-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE C[C@@H]1CC[C@](O)(C(=O)C#Cc2ccc(Br)cc2)[C@@H](OCc2ccccc2)C1 2296222263 QEOBVIFUTYRKEP-VSDWSMLSSA-N 427.338 4.506 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2296227819 SKDSVEQLBBRLNS-YZGWKJHDSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)C1CC1 2296298292 ISTNKXIXZSLYOS-QUCCMNQESA-N 435.406 4.720 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OCC(=O)OC(C)(C)C)ccc3C1=O)cn2C 2296872047 QZOLADXWXZWHPX-UHFFFAOYSA-N 435.476 4.524 30 10 IJEE CCOc1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 2296932898 UJMZVQMWOSKDJW-SFHVURJKSA-N 440.546 4.846 30 10 IJEE CCNc1ccc(C#N)cc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1CC 2297550030 DUTNTMUTBHPOOL-UHFFFAOYSA-N 435.578 4.984 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc3c2CN(CCOc2ccccc2)CO3)C1=O 2322038042 LEWATVCKJWYMFW-UHFFFAOYSA-N 429.472 4.542 30 10 IJEE CCN(CC)CCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322170691 RTXUQZLULQBFLU-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(OC)c(OC)c2)cc1 2322193052 KKUTUSOAUISANJ-UHFFFAOYSA-N 440.569 4.626 30 10 IJEE COc1ccc(OCCCc2nnc(S)n2N=Cc2c(OC)ccc3ccccc23)cc1 2322223646 HXVGHSYUTODZFE-UHFFFAOYSA-N 448.548 4.631 30 10 IJEE CN(C)c1ccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 2322267103 CENWONMFYBZMGW-UHFFFAOYSA-N 431.565 4.680 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)N(CC)CC)cc1 2322614532 QWANAJHZEBQPPY-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)C=Cc4ccco4)c3C)C2=O)c1OC 2323163569 NSEFZQKLVGRAPO-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1 2323438175 BBWQGEXNIGWRPV-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(OC(C)=O)cc4)c3C)C2=O)c1 2323627905 NFMRIJBPWIXGAS-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)CCc1ccccc1 2325746969 WEPSJBHHIQEZOY-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)CC(C)(C)C 2325785044 LJSUPXXJDCHSHH-UHFFFAOYSA-N 442.508 4.959 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(C)cc2)cc1[N+](=O)[O-] 2326295235 BALHZZLLEBJNSM-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE CCOc1ccc(C=Nn2c(CCCOc3ccc(C)cc3)nnc2SC)cc1OC 2327144726 FMZTZSRQWXETRG-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccc(C(=O)O)cc2)c1 2330961664 RXKTWEKLGILLCR-HXUWFJFHSA-N 436.537 4.619 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1OC(C)C 2331017116 NQRXALLJYQVXKY-UHFFFAOYSA-N 443.617 4.566 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1O 2331017309 YPBVTPAAQCIZGC-GOSISDBHSA-N 448.907 4.508 30 10 IJEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2ccco2)cc1OC 2331211221 QTQBDKCKVCCQLO-UHFFFAOYSA-N 434.521 4.772 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1sccc1C 2331382163 DHNOQWLZEZEWLZ-UHFFFAOYSA-N 427.599 4.867 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)c1 2331386542 LDQLBHCLLUEDSV-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CC1(C)OB(c2cc(NCc3sc(Cl)cc3Br)ccc2N)OC1(C)C 2343823990 GIRTWMBXUUEBKG-UHFFFAOYSA-N 443.603 4.658 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@H](O)C#Cc3ccccc3Br)CCC[C@H]21 2358761601 SRVFAHBZLWRRJW-ONCXSQPRSA-N 434.374 4.587 30 10 IJEE CC(=O)c1ccc(C#N)cc1Oc1cc(Br)cc(I)c1 2364066492 NHPDVXNADHXHRI-UHFFFAOYSA-N 442.050 4.920 30 10 IJEE Cc1cc(CN[C@H]2CCN(Cc3ccccc3)C(C)(C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369679886 ISSRIKLVNTZZIL-VWLOTQADSA-N 448.460 4.827 30 10 IJEE CC(C)(C#CC(=O)Nc1ccc(C(F)(F)F)c(Br)c1)NC(=O)OC(C)(C)C 2370050821 NUTUQPKSWSATIQ-UHFFFAOYSA-N 449.267 4.713 30 10 IJEE CC/C(=N/Nc1nc(SCCC(=O)Nc2cccc(Cl)c2)n[nH]1)c1ccccc1 21081663 CQNFVEPORULPQI-ULJHMMPZSA-N 428.949 4.805 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(OCc2ccccc2)c1 33482070 KBSPAVRTEOPSBR-QFIPXVFZSA-N 449.528 4.552 30 10 IJEE C=CCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 38593802 FJEKNKVLOCLKKV-QHCPKHFHSA-N 433.504 4.938 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CC=C)cc1OC 39910836 LJCTYJFAVFSCDU-JOCHJYFZSA-N 431.488 4.714 30 10 IJEE COc1ccc(/C=N/N=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 39988858 RVQQFBBLHMORSP-BQYFSVDLSA-N 447.535 4.911 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CN3C(=O)C(C)(C)Oc4ccc(Cl)cc43)c2C#N)C1 71512571 MIIORPNVEKVBBG-LBPRGKRZSA-N 443.956 4.541 30 10 IJEE CN(C)c1ccc(Cn2nccc2NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1 98080431 NIGOSZSBBGDEME-JLHYYAGUSA-N 438.535 4.518 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1OC 169939683 YTNWZZAVQHDPLU-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169964475 WHDOGCQHXBOVLY-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@H]1c1ccccc1OC 170125151 YJJSZRQTALIYLX-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)cc1 170162072 GFHWGSDHTVKPGD-NQIIRXRSSA-N 441.549 4.540 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)cc1 170168100 OSOXPAYLGOLTNE-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccccn1 170168848 OCEKGSWSTZRHQB-JOCHJYFZSA-N 436.552 4.691 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccnc1)c1cc2ccccc2o1 170184450 BCLMQLNZZSCNKI-NRFANRHFSA-N 432.382 4.889 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)c1 170233661 BJZNCMZRWNXVFF-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)c1 170234195 OAXBAHZLYAAPLW-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c[nH]c2ccccc12 170256055 AQQKXWFFTVTZIQ-OAQYLSRUSA-N 433.464 4.845 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccc(O)c1)c1cc2ccccc2o1 170256804 NDMHNLFNCSSFML-OAQYLSRUSA-N 431.469 4.978 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1cn(C)c2ccccc12 170269331 WQLMRMUJRXZFAI-HSZRJFAPSA-N 448.519 4.574 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2C)cc1 170272463 PQSVCDNEGBZTTF-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2sccc2C)ccc1Cl 170317752 OFXWEUAOEDIBIV-SFHVURJKSA-N 449.956 4.723 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1ccc(O)cc1)c1cccs1 170338717 SJCJUUAHNOUGKA-JOCHJYFZSA-N 446.528 4.837 30 10 IJEE COc1ccc(CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 254440688 GMPZKHFXBBBHJO-UHFFFAOYSA-N 436.424 4.579 30 10 IJEE CCN1/C(=C2/SC(=Nc3ncn[nH]3)N(c3cccc(C)c3)C2=O)Sc2ccccc21 254578152 OKVHBUQVYJLGOS-UQKHHWQFSA-N 434.550 4.682 30 10 IJEE C=CCc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 309855096 KWPSHYQKGRKRJH-VWLOTQADSA-N 427.500 4.950 30 10 IJEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 460788561 CGMIVOUOSKPJCX-DVECYGJZSA-N 448.567 4.815 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 460814789 NVQUXBCRGGCRKR-UHFFFAOYSA-N 444.583 4.986 30 10 IJEE CSc1nc(O)c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)cc1C#N 488449508 NTSJEDWCNCGUNQ-UHFFFAOYSA-N 427.888 4.770 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1 489630414 DTZGQGJEEYUQJZ-OAHLLOKOSA-N 443.960 4.519 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(O)c(OC)c2)c1 526515560 JSOWHVHYZFWXGW-XMMPIXPASA-N 442.471 4.728 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 526773855 VTAMWZRAYQBCSV-NRFANRHFSA-N 447.874 4.910 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2ccc(OC(C)(C)C)cc2)o1 526829972 JANLIMLRNGBZTQ-QRVIBDJDSA-N 442.541 4.708 30 10 IJEE CC(=O)CCc1ccc2oc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c(C)c2c1 539794567 QWESOJJPDRXKHF-UHFFFAOYSA-N 443.547 4.551 30 10 IJEE COc1cccc(C2=CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)c1 543886880 SVMMXUOJXIRZBS-UHFFFAOYSA-N 433.899 4.727 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 571623584 HWZSVRODDMDREU-UHFFFAOYSA-N 429.568 4.537 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@H]2CCN[C@H](C(=O)/C=C/c3ccc(C(C)C)cc3)C2)cc1 585835497 SLRDAOHAGCXSBU-NJTDZYNDSA-N 446.591 4.601 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccnc(Cl)c3)C2)c1 586045870 AWYADDKVURLFCQ-FQEVSTJZSA-N 440.975 4.607 30 10 IJEE Cc1cccc2c(N3CCC[C@H](c4n[nH]cc4NC(=O)c4ccccc4)C3)c(C#N)cnc12 619489009 WLEYVNJLAMMFBT-IBGZPJMESA-N 436.519 4.774 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](c2nc3ccccc3o2)C1 669816325 RJIUODLICFAWMS-KRWDZBQOSA-N 445.523 4.674 30 10 IJEE COc1cc(Br)c([C@@H](C#N)N(CC2CC2)C(=O)OC(C)(C)C)cc1OC 698897879 GTHCWQDFDFVSRH-OAHLLOKOSA-N 425.323 4.678 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nc2ccccc2c(=O)n1Cc1ccco1 735231637 XCIMMUJHAYXJHQ-UHFFFAOYSA-N 437.908 4.886 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1=S 742172688 URPGRKZQOXQPFI-KNQAVFIVSA-N 435.597 4.698 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 742212993 BGAYHZKGKQXQID-JOCHJYFZSA-N 444.560 4.549 30 10 IJEE C#CCN(C(=O)CSCc1nc(O)c2c(-c3ccccc3)csc2n1)C1CCCC1 757173740 LXWCZUJMTHGTAO-UHFFFAOYSA-N 437.590 4.702 30 10 IJEE O=C(c1ccnc(F)c1F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 792328538 QKXQUXWZSZWETM-CYBMUJFWSA-N 440.290 4.611 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 796888014 JVQMYONWAJSVGF-YWZLYKJASA-N 434.517 4.913 30 10 IJEE CC(=O)N(c1nc(COC(=O)c2cc(C#N)ccn2)cs1)c1c(C)cc(C)cc1Cl 803849632 NLGQSIGWDFVYQY-UHFFFAOYSA-N 440.912 4.722 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1ccc(C)cc1 812174820 BIQHUNFGEQQBLU-QHCPKHFHSA-N 445.567 4.931 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1cccs1 812188416 OTHFHBCPKDLTQG-IBGZPJMESA-N 437.569 4.684 30 10 IJEE CO/C=C/C(=O)[C@]12OC(C)(C)O[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1081829598 UGKGVXHSBYBMPT-NKKUFFQHSA-N 430.585 4.540 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 1084188240 ACSXSHJTBKRGFH-KRJHCPIGSA-N 426.933 4.690 30 10 IJEE Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 1126238961 DLMOSWQWQQXWFE-DEOSSOPVSA-N 443.522 4.984 30 10 IJEE C=CCN(C(=O)Cc1c(C(C)=O)oc2cc(C)ccc12)[C@H](Cc1ccccc1)C(=O)OCC 1128112440 UFOJDWVCYCGHQS-HSZRJFAPSA-N 447.531 4.675 30 10 IJEE C#Cc1ccc([C@H](OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C(F)(F)F)cc1 1128970591 JPEDDPKWBJLFCG-FQEVSTJZSA-N 432.398 4.639 30 10 IJEE N#C[C@@H]1CCC[C@H](OC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)C1 1129608686 HULKMLLGSNJRDJ-YPMHNXCESA-N 425.325 4.808 30 10 IJEE COCc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)ccc1OC 1132616868 ASPLMXZYWAOYPR-UHFFFAOYSA-N 427.932 4.612 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1157761443 XBFRQJCOHMULCV-QGZVFWFLSA-N 432.549 4.514 30 10 IJEE C=CCn1c(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)nnc1-c1cccs1 1185708964 UBZWQXBDUAHHTD-UHFFFAOYSA-N 431.486 4.637 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 1219149053 SKMAEYXUVUSKNH-KRWDZBQOSA-N 429.483 4.620 30 10 IJEE CCOC(=O)c1c(NC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c(C#N)cn1CC 1219174006 CVIPYJIZVUNDDE-UHFFFAOYSA-N 438.572 4.835 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C)c1ccc(Cl)cc1F 1229619334 FPVSKAKKRNUZDX-PKTZIBPZSA-N 429.967 4.954 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C)cc3OCCCC(C)C)cc2C1=O 1266007641 DBVPEKZQUHYQPB-UHFFFAOYSA-N 434.536 4.522 30 10 IJEE C=CC[C@@H](OC(=O)Cn1ccc(Br)cc1=O)c1ccc(Cl)c(Cl)c1 1270235716 NVBHUCUSIBMWTP-OAHLLOKOSA-N 431.113 4.778 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 1286318660 VRRDDNXUOGXXSB-UXHICEINSA-N 445.007 4.965 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1286323659 LGSYMMXXTURSQL-LJQANCHMSA-N 443.586 4.832 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286334827 ZBTGHSQKVPCEEQ-PKTZIBPZSA-N 433.600 4.794 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCC2)c1 1286441253 UEGLXLZGPNVEAV-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)Cc1cccs1 1286443225 CMEUFPRECJETKM-SFHVURJKSA-N 431.565 5.000 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC)CC1 1286561393 DCSGGHXJCGCXBL-LNRXMEIDSA-N 430.637 4.804 30 10 IJEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1286625150 HVFXFYHMQWFBJX-CYBMUJFWSA-N 446.780 4.922 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](c2cccs2)N(C)C)CC1 1286648657 GUPMYFSTORCSBD-IBGZPJMESA-N 441.576 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1286668163 PHRRBLNWAINVDL-UHFFFAOYSA-N 434.632 4.977 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCc1cnccn1 1286684159 FUVJZDAHDHFZJF-SFHVURJKSA-N 436.629 4.957 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286705872 JNXNRLDBCCHELH-PXNSSMCTSA-N 428.602 4.549 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)[C@H](C)CC 1286746734 DXKFVQAZLMUQFP-ZHRMCQFGSA-N 430.568 4.649 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@@H]1OC 1286752876 LDSGILVMSTXECM-KXBFYZLASA-N 449.368 4.840 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286760108 JUCOSMNXVUWWLP-REPLKXPHSA-N 430.980 4.893 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)Sc2ccccc2)C1 1286809491 SUAJQFLTGCNZOH-WOJBJXKFSA-N 435.597 4.611 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1286832842 OYHDZCVIIIGDGH-JOCHJYFZSA-N 441.645 4.676 30 10 IJEE COC(=O)CCSc1cc(Cl)ccc1NC(=O)c1cc2ccccc2n1CC#N 1287668351 BMFFNSHYHCNMGK-UHFFFAOYSA-N 427.913 4.726 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)OC(C)(C)C 1291885297 BKAQVQRRAYRQJH-UHFFFAOYSA-N 439.899 4.813 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)C1 1300341895 MKCKEJIGNXZFJN-WZONZLPQSA-N 430.980 4.880 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1300512384 PIMJKLFNEPUKRI-YQVWRLOYSA-N 448.464 4.924 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@@](C)(O)c1ccsc1 1300787871 PESHAWDYXAJMLP-FTBPSBKWSA-N 434.609 4.781 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCOCC(F)F 1300815863 CGPGKROVKQBXFQ-XMMPIXPASA-N 446.542 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1300918750 HGVZADUARGUHSP-UHFFFAOYSA-N 444.627 4.951 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(CN(CC)CC)c2)CC1 1301119067 UNUJXROSODXNOU-UHFFFAOYSA-N 444.627 4.941 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](C)C1 1301347650 ZAEVMDLFFCMCTP-SYVJQLTCSA-N 438.616 4.948 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CC(=O)NC1CCCCC1 1301358067 WTITZCUSYBISNL-UHFFFAOYSA-N 439.585 4.550 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1301612618 NJYDVGKLBHBJRG-KRWDZBQOSA-N 440.535 4.747 30 10 IJEE C=CCN1CCC(NC(=O)N2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)CC1 1311893825 JUKGWOJHZQORLK-SANMLTNESA-N 438.660 4.503 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 1348998694 WTOYLHMMWPSEDP-BJKOFHAPSA-N 426.516 4.924 30 10 IJEE COCCN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)c1ccc(C#N)cc1 1353428123 CUKRLGXFPSUGGX-UHFFFAOYSA-N 429.904 4.852 30 10 IJEE C=CCC1(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)CCOCC1 1356442087 BYKHOLQXCTTXFX-QGZVFWFLSA-N 444.963 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](OC)C(C)(C)C 1358879126 LOKUWWWGIYPRHO-PGRDOPGGSA-N 436.556 4.636 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1358913102 FVRMASLBQQWGRY-JQVVWYNYSA-N 440.613 4.705 30 10 IJEE C#CCCCCn1c(N2CCc3sccc3[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1358917214 KBGJVOFOCKASHX-GBXCKJPGSA-N 442.629 4.698 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](CN(C)CCC)C1 1358922799 RDZSBJYJTVCWBC-HXUWFJFHSA-N 439.673 4.857 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCC1CCOCC1 1359078431 BYAPLDLMJYMBJX-UHFFFAOYSA-N 445.361 4.853 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(F)cc2)CC1 1359160852 GPMBHWPYPRRCGH-UHFFFAOYSA-N 444.352 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1c(C)noc1C 1359185267 PUPPZQUZAAXMHL-UHFFFAOYSA-N 439.560 4.806 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(CC)C1 1359203005 GPEHYCAIXOHOPR-NTKDMRAZSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCc1cccc(C)n1 1359234832 CNZRVYWUADYLLD-UHFFFAOYSA-N 444.352 4.805 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)c1cc(C)oc1C 1359268865 GAJJONVCBYFAKY-SANMLTNESA-N 443.551 4.789 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)C[C@H]1CC 1359310756 FZYBBBLVXFTWAX-DYESRHJHSA-N 437.613 4.872 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1359338343 RYINRPNQEDHJOL-IBGZPJMESA-N 433.021 4.771 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(COc2ccccc2Br)cc1 1436070548 BDWPJCWOWPWRRQ-GHTZIAJQSA-N 430.342 4.739 30 10 IJEE C#Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1 1436381542 XBFSDIUQYRUCOA-UHFFFAOYSA-N 425.257 4.687 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]3C[C@@H]3C2)ccc1Cl 1437370928 SUMVWLDEIHTEMP-QXAKKESOSA-N 444.984 4.640 30 10 IJEE C=CC(C)(C)CCNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1454009216 HTWDPMHRDKIAEW-UHFFFAOYSA-N 443.632 4.655 30 10 IJEE C#Cc1ccc(NC(=O)CCN2c3ccccc3[C@@H](NC(=O)OC(C)(C)C)C2(C)C)cc1 1460666109 MQRCWACJLIFAOU-HSZRJFAPSA-N 433.552 4.861 30 10 IJEE CC(C)c1c(C(=O)Nc2ccc(Br)c(C#N)n2)cnn1-c1ccccc1Cl 1461098346 COHONPZSSDCJBA-UHFFFAOYSA-N 444.720 4.931 30 10 IJEE C=CCCn1cc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)nn1 1461858727 SKNXCTPLQSSSKU-DEOSSOPVSA-N 436.604 4.543 30 10 IJEE C#C[C@@H](NC(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccc(Cl)cc1 1468720779 OVQDDQACEMSIRV-AEFFLSMTSA-N 429.904 4.504 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)c1ccc(F)cc1 1470656389 BHNUWXZUCPUFOP-ZEQKJWHPSA-N 444.506 4.875 30 10 IJEE C[C@H](CN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCCC1 1473705683 DZRYLKMZVPHROZ-CTNGQTDRSA-N 440.632 4.504 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(COC)c(OC)c1 1476930459 BCRGFKWCSZDDBD-UHFFFAOYSA-N 437.309 4.963 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(Oc3cccc4ccccc34)cc2)CC1 1478510885 ICUQWFWABNLJDX-UHFFFAOYSA-N 443.503 4.620 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)cs1 1503921261 BDKBAEWNODLKTC-AWEZNQCLSA-N 442.976 4.551 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccnc(SC)c1 1507522425 VSAXOYVRGJUZAX-JKSUJKDBSA-N 437.638 4.755 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1507570498 PSRWADFOUAXRHQ-UHFFFAOYSA-N 444.505 4.598 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1507810189 KTDLGXZAURWXCG-SSPYTLHUSA-N 440.588 4.536 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1507827113 TXTZSIKANVESNB-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cccnc2OCC)CC1 1507880991 OPTSAEFTMIHBJN-UHFFFAOYSA-N 439.947 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1507913362 YCHJYLPGWWRHBI-IAGOWNOFSA-N 428.577 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)SC 1508009510 QNQSGFHWGJHZPL-OAHLLOKOSA-N 428.583 4.679 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1508147415 KDUXHXRPQJNEJL-IAGOWNOFSA-N 427.618 4.549 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1508159125 RGGUIMOCMGVUCA-OAHLLOKOSA-N 444.498 4.551 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1508162347 NJXGEIYBMHJWBP-LJQANCHMSA-N 448.583 4.668 30 10 IJEE CC(C)c1ccccc1OCCn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1508873941 FXUCSGKNBLNDCR-VWLOTQADSA-N 430.556 4.673 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CC(C)(C)C2)cc1OC 1515128272 GJCVOANOJGGKRY-QGZVFWFLSA-N 425.577 4.775 30 10 IJEE C=CC(C)(C)CC(=O)O[C@@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(OC)cc1 1523581623 NWXZRXCTQVXTAG-WZONZLPQSA-N 445.581 4.591 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 1525488295 TUUVSRGFYKGXBL-UHFFFAOYSA-N 427.335 4.973 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C(C)=C\c2ccc(C)cc2)c(C(=O)OCC)c1C 1525887247 CVRAFIRQAJHQFU-SQFISAMPSA-N 427.522 4.926 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2c3ccccc3CC[C@@H]2N2CCCC2)cc1OC 1529906261 KWZZOIVIHHOWIA-RCUVCEOISA-N 432.564 4.541 30 10 IJEE C=CCC[C@@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)c1ccccc1 1530577740 GDJHMQXKOSWSMK-OAQYLSRUSA-N 445.376 4.982 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)cc1OC 1531051166 NBZAIVLKKMACDI-RIYZIHGNSA-N 434.467 4.916 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Cl)cc(Br)c2)CCCN1C(=O)OC(C)(C)C 1535152012 LRCQOKADZIIIPH-IBGZPJMESA-N 441.753 4.834 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(C(=O)OC)c3ccccc3c2)CCCN1C(=O)OC(C)(C)C 1536482921 DEXDCUGXGQXDKX-VWLOTQADSA-N 438.524 4.911 30 10 IJEE COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 1537114401 DPEOFPSFLLZTJM-QGZVFWFLSA-N 433.533 4.581 30 10 IJEE C#CCCCn1c(CC(C)C)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 1539126156 TWSDTTHOUPDHHU-UHFFFAOYSA-N 425.627 4.946 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@@](C)(CC)O1 1539350952 GUTMTSBAFVIGQW-AUUYWEPGSA-N 437.407 4.576 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccc(C)o1 1539607463 FZERWOKHWDHIIR-UHFFFAOYSA-N 445.361 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1c(C)noc1C 1539650601 SQFYAJJYEQTKEH-SFHVURJKSA-N 427.524 4.807 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539831863 NIICDTKIKZZPPR-TZIWHRDSSA-N 439.604 4.890 30 10 IJEE C=CCCCCn1c(N2CC[C@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539975178 NMZWLPTURAQZBZ-ZRNYENFQSA-N 429.609 4.784 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1540012996 GXBQARGQYWDTKN-UHFFFAOYSA-N 440.979 4.823 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1sccc1C)C1CC1 1540099122 RKENYUGCMKQRCF-UHFFFAOYSA-N 440.569 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1CC 1540140642 PRVKHXXBOXDYIJ-HXUWFJFHSA-N 437.613 4.692 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H](C)CCSCC 1540856017 MERITVMKMCMBMV-CQSZACIVSA-N 439.423 4.870 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCC(=C)C)C1 1540885830 PUKRKKHJXQODBU-QUCCMNQESA-N 442.629 4.505 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1540916308 VRXCGHDWUHZUQM-QFIPXVFZSA-N 441.645 4.544 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC2(C)C)CC1 1542023352 HVCUUJKVEBWXQE-QGZVFWFLSA-N 426.362 4.742 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4cc(Br)cc(C)c4C3)cc2n1 1563300108 BXPDDRHJVCVTND-UHFFFAOYSA-N 425.330 4.883 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCC[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2n1 1563301897 OJCMUQXTBDOEPR-SFHVURJKSA-N 441.576 4.771 30 10 IJEE N#Cc1ccc(CNC(=O)NCC2(c3ccc(Br)s3)CCC2)cc1Cl 1564643533 FQXYBHPEHYNXSZ-UHFFFAOYSA-N 438.778 4.957 30 10 IJEE C=CCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2 1566895000 XSJJPBSMOGWXPY-FYWRMAATSA-N 449.913 4.546 30 10 IJEE C=CC(C)(C)CCCNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1583869483 RFWOMBOIFBIOIM-UHFFFAOYSA-N 447.428 4.503 30 10 IJEE C=CCOc1ccc(CNC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)cc1 1587056972 DSGBCYXUVWZSHX-UHFFFAOYSA-N 425.891 4.648 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@H](SC)C1 1587711952 JJPVVJDKLRBXIF-INIZCTEOSA-N 436.423 4.561 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1587759553 WRGQAJQVIAGFPK-HXUWFJFHSA-N 429.609 4.575 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(CC2CC2)c2ccc(OC)cc2)nnc1-c1ccco1 1587784796 FPIZTQGCSVZKDI-UHFFFAOYSA-N 438.553 4.658 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1 1587898205 KDCQCAGDZPDHLE-FGZHOGPDSA-N 442.579 4.655 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](CC(C)C)N(C)C 1588281203 ZTNIXQXDRAVGPS-UYAOXDASSA-N 427.662 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1589503165 BSHIRVDYTYJEDW-POAQFYNOSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1ccc(Cl)cc1Cl 1589580190 NDSDAHOKDCLEIX-SCLBCKFNSA-N 433.343 4.710 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](COCC)C1 1593717621 ICFARAFQHMAGIR-INIZCTEOSA-N 439.387 4.707 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1594573925 ZVNCHUABNQJPNI-HSZRJFAPSA-N 445.615 4.601 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1594668253 GUXPBUNODUCVNK-KRWDZBQOSA-N 430.512 4.835 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(SC)CCOCC1)C1CC1 1595026336 JHVHGCHWWAOUFK-QGZVFWFLSA-N 446.592 4.624 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1595037469 GDTNKNGCBQGBIK-MRXNPFEDSA-N 448.398 4.665 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC1CC(F)(F)C1 1595075253 BPPASUFKNDVTOR-UHFFFAOYSA-N 427.499 4.530 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1csc(Br)c1 1595411475 RSYMKHNLXZIENT-UHFFFAOYSA-N 439.329 4.794 30 10 IJEE N#Cc1cnc(Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c(Br)c1 1611920115 CPVLWVSVDJRDGZ-UHFFFAOYSA-N 433.309 4.591 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1616516819 OXYSKJKNJXFFJB-MJGOQNOKSA-N 433.390 4.567 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Cc1cc(Br)cc(I)c1 1618325503 RYMBZWCEIPCVAY-HNNXBMFYSA-N 448.142 4.553 30 10 IJEE N#Cc1ccc(CCNC(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1 1623254936 CQBAVDNSOJCYRE-UHFFFAOYSA-N 428.208 4.584 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1623360341 VITSQYFAHYUNFP-ZEQKJWHPSA-N 437.543 4.580 30 10 IJEE CCCc1c(NC(=O)NCCc2nc(C(C)(C)C)cs2)cnn1-c1cccc(C#N)c1 1623857758 HQLBECGRJZBDKD-UHFFFAOYSA-N 436.585 4.815 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C(=O)OCC 1624251801 KIWZOWAKUHNFRE-QGZVFWFLSA-N 433.291 4.808 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1626818376 RFOOKVDEFWSRII-CLOONOSVSA-N 432.564 4.858 30 10 IJEE CC(C)COc1cc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)ccc1Br 1627754771 DMXHMUQSOYVNHI-UHFFFAOYSA-N 449.374 4.589 30 10 IJEE C=CC[C@H]1CCCN(C(=O)C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)C1 1628820945 VTPAYBURXKFIPO-DOTOQJQBSA-N 440.506 4.745 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NCc2nccn2C)cc1 1637678661 PTKZWTHLNDHLGC-UHFFFAOYSA-N 441.329 4.612 30 10 IJEE C=CCC[C@H](NC(=O)c1sc2cc(Br)ccc2c1Cl)C(=O)OCC 1640863315 HEQRYUPOOGNZNP-LBPRGKRZSA-N 430.751 4.945 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3nc(O)cc(C)c3c2)cc1C 1640896198 CHZCKKQALIIDJA-UHFFFAOYSA-N 425.492 4.895 30 10 IJEE CC[C@H]1CN(CC)CCN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1643086336 HJZFBIVYDZXCAB-MSOLQXFVSA-N 430.662 4.515 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 1644776829 RWTZNVJMMXUXHK-UMXIMWEHSA-N 437.653 4.638 30 10 IJEE Cc1c(C#N)cccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1650870209 GUUCFMPOROQZCX-UHFFFAOYSA-N 425.897 4.573 30 10 IJEE C=CCn1c(SCCCC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1652349209 QRBCKCOXNWTWAY-CQSZACIVSA-N 434.627 4.983 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCOc1cccc(Cl)c1Cl 1655401667 JLCINUBPDSZCFX-UHFFFAOYSA-N 429.141 4.937 30 10 IJEE C=C(C)COc1cc(CNc2n[nH]c(C)c2C(=O)Nc2ccccc2OC)ccc1OC 1658084034 YVDDZYRMGDTZOB-UHFFFAOYSA-N 436.512 4.555 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(I)ccc1C 1660830247 PNUUYTJUMJJBAA-UHFFFAOYSA-N 436.293 4.828 30 10 IJEE COc1ccc(Oc2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)cc1 1662429587 AMEDGBLDTSLYOA-UHFFFAOYSA-N 434.517 4.712 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)[C@@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3O)cc2n1 1664853147 BTSHVLZUNFCIHR-VQTJNVASSA-N 431.323 4.651 30 10 IJEE C[C@](NC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1)(c1ccc(F)cc1)C(F)(F)F 1665030507 HELYEYLQZYEQKV-WBVHZDCISA-N 438.343 4.655 30 10 IJEE O=C(NC[C@H](OC1CCCC1)C(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F 1665888383 BNIOPWCDSVSKGT-ZDUSSCGKSA-N 448.335 4.901 30 10 IJEE COc1ccccc1N1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1669147567 DVVCGVHFCCBPST-HXUWFJFHSA-N 428.492 4.760 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c(Cl)c1 1669169516 GWPFAOLUEHZWKF-OAHLLOKOSA-N 428.863 4.799 30 10 IJEE C=CCCc1ccccc1NC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br 1669276196 JOQOKGLJYVRUGE-HXUWFJFHSA-N 433.346 4.774 30 10 IJEE CN(Cc1cscc1Br)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1669358167 FSBPPGPTUVGMLE-UHFFFAOYSA-N 434.237 4.945 30 10 IJEE Cc1noc(C[C@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)C2)n1 1669489302 AVPBJRYXPRBVQB-MRXNPFEDSA-N 435.459 4.668 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(C)c(Br)cc2F)cc(OC)c1OC 1670583758 PNMCUPMSPHMVJI-UHFFFAOYSA-N 437.309 4.964 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(Br)c(C#N)n1 1672168666 DAQKQUNFRHTTEC-JTQLQIEISA-N 427.224 4.959 30 10 IJEE CC(C)[C@@]1(CO)CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 1673090250 BITBXZNIQGFRMI-HNNXBMFYSA-N 430.364 4.848 30 10 IJEE COC(=O)[C@H](C)Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 1676136599 BXUBTTZIKUFSHN-MRXNPFEDSA-N 433.533 4.960 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 1678040077 MHQMCLLYLHDWNF-PKTZIBPZSA-N 427.976 4.720 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 1680097649 YBCANKAXDNQFLN-KGLIPLIRSA-N 438.391 4.568 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 1683765132 FKYSSPWDIOTSNG-LJQANCHMSA-N 429.996 4.732 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccnc(SCC)c1 1689973544 GXTNBJOZKCNOOQ-UHFFFAOYSA-N 449.624 4.914 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1690028125 LFEILLHAPSMSMI-ROUUACIJSA-N 443.016 4.500 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1690155550 LECDILBCTBRKEY-MRXNPFEDSA-N 430.574 4.622 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)c1cccs1 1690159415 ABURRULQZDQPSW-QGZVFWFLSA-N 448.621 4.961 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOC(C)(C)C 1690196226 CCALICIOZJPICD-MZNJEOGPSA-N 426.630 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1690201345 GPLPQLAQLGBIFC-PBDKAQRYSA-N 449.643 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1690236369 LXYIMNUIXRZFHQ-REIYTJMXSA-N 446.542 4.629 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CCC(C)C 1690241656 VUHVTYSLFYVZLM-PKTZIBPZSA-N 432.572 4.564 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(C)C)CC1 1690299281 LTUCOZPXMVDOFV-UHFFFAOYSA-N 439.604 4.612 30 10 IJEE C=C(Cn1c(N2CC[C@@H](CC(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690325558 AUQNKQDBUSRDEL-BKMJKUGQSA-N 438.616 4.905 30 10 IJEE C=CC[C@@H](Cn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 1690447178 LKHALZMFFFFPOW-IRLDBZIGSA-N 438.616 4.710 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1690465302 XCKOZSHALSHMOJ-WOJBJXKFSA-N 433.641 4.963 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccsc1 1690740088 IVEKGXZHEHNNRA-UHFFFAOYSA-N 436.610 4.748 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CCCS2)c1C 1692898460 BQWSWONJIUJRRJ-YFXJRYMSSA-N 443.592 4.763 30 10 IJEE C[C@H]1C[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1693579313 GVFAOJYLBZIVFW-IZZQQSIFSA-N 427.980 4.932 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1705512562 HEXIMQHYFSEKLC-XZOQPEGZSA-N 431.584 4.794 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OCC)cc1 1705576494 LRHNZIKMEOWAGW-LJQANCHMSA-N 444.604 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)c1cccs1 1705601535 MLNXXGRDYYAXAQ-UHFFFAOYSA-N 446.620 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCS1 1705607402 BUVNWJWNSOWMOI-ZDUSSCGKSA-N 425.421 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1705675641 WFISYIHLBXOBSR-XMMPIXPASA-N 437.588 4.802 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)CC=C 1705678225 SAMQULBDVFGYEM-UQBPGWFLSA-N 441.620 4.945 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCc2cc(Br)ccc2C1 1705730985 QGZOWHMKEUWOCO-MRXNPFEDSA-N 433.394 4.710 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)C)C1 1705731692 AQTLIIHKFRABAT-QFIPXVFZSA-N 426.605 4.697 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1705732428 YYJGOKDBWYJYEO-QFIPXVFZSA-N 431.540 4.906 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@](C)(O)[C@H](C)CC)CC1 1705762978 MPJGLPKLGMSLSK-QVNIBDNGSA-N 426.605 4.988 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](OC)C2CC2)CC1 1705777945 UUCGSEDJNKKVGB-LJQANCHMSA-N 431.378 4.535 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CCCn2nc(C)cc2C)CC1 1705783995 DBGPAQWDXUVMEC-UHFFFAOYSA-N 432.616 4.759 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1705797111 QFAJTWPNOIURKO-IBGZPJMESA-N 445.596 4.750 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1705819425 LCFNWUSHWDFKRU-OAQYLSRUSA-N 438.620 4.789 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCOC1CCCCCC1 1705866361 OAQZHJSFQUCFSX-UHFFFAOYSA-N 438.601 4.729 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cnccc1OC 1705870694 OEDQNDAHOBQMEL-KRWDZBQOSA-N 435.597 4.762 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(OC(F)F)c1 1705872937 PTHPFERAUQYVML-UHFFFAOYSA-N 431.874 4.822 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1705888098 FFNMNZVTMINDLB-ZWKOTPCHSA-N 431.378 4.678 30 10 IJEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@@H](C)CC#N)C1 1708062268 FFYAOKVRFPZXGF-ROUUACIJSA-N 429.012 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cc(C)cs1 1722495880 ULMPAWRVCVAEOC-UGKGYDQZSA-N 438.597 4.941 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1722531165 ORDJNWSBMXUDCS-AZUAARDMSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCCC(C)C)CC1 1722561160 OBMIHVFXSNSEAB-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@](C)(OC)C1 1722611418 JHXZIBGLPUAXBU-FQEVSTJZSA-N 437.357 4.818 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CC)s1 1722657133 SGMRXHATZLIJLF-NRFANRHFSA-N 447.608 4.909 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1Cc1c(CC)nn(C)c1CC 1722657472 CFCCBNGKTIHHBN-XMMPIXPASA-N 448.615 4.619 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1726822049 FWGHAOJLAGTXKK-UAVUOLJFSA-N 441.645 4.668 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)CN(C)C 1740540955 OXNBSZNGRFNYJV-QGZVFWFLSA-N 439.604 4.858 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1740721747 SEPMINUPULFQQO-FYYLOGMGSA-N 438.641 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCc1csc(C(C)C)n1 1740732768 PKOYWNIQOBLQNL-XMMPIXPASA-N 437.588 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC(F)F 1740753275 HMTNSMHWTIKDRI-YJBOKZPZSA-N 442.457 4.619 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCCC1(C)C 1740766810 LTHLZUBEAPYWAC-UUOWRZLLSA-N 430.568 4.901 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](COC(C)C)C1 1740778377 ZPMXKBLWBYFMPU-HSZRJFAPSA-N 449.599 4.559 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCc2cc(Br)ccc2C1 1740795575 XYDWTHRMUNFOFM-UHFFFAOYSA-N 445.405 4.854 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1740796599 ZAMMMRFOSVYRLE-JOCHJYFZSA-N 439.629 4.521 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)c2cccc(F)c2)CC1 1740833854 CNMJJOWFFRCXLS-UHFFFAOYSA-N 441.595 4.716 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1740845891 FQNNNPQFSVNREL-SFHVURJKSA-N 440.979 4.592 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1740865257 TVVNWUOUSSXRRV-UHFFFAOYSA-N 442.677 4.663 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1740882443 LJKLDLAWXXXKKY-WIYYLYMNSA-N 437.975 4.969 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCSC1(C)C 1740920180 HINIVGFTNNGQRV-AZUAARDMSA-N 430.593 4.993 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1741002773 RHBDYCUOCFDRJN-HXUWFJFHSA-N 432.609 4.711 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCC=CO1 1748950883 QXYUEGZLOHMNIO-INIZCTEOSA-N 442.972 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@@H]1C(=C)C 1749060561 UTEUZBSHBUBJAL-NYQDVAGCSA-N 440.975 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CC=C(C)CC1 1749122718 ZPEZGHPVNGPQSZ-YJBOKZPZSA-N 449.418 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1ccccc1F 1749131740 VCWCWPPFZKEHSN-NNWRFLSQSA-N 428.552 4.667 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCN(C2CC2)C1 1749143949 PDPLMBOZUAEJAI-YADHBBJMSA-N 437.632 4.922 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@](C)(OC)C2CC2)CC1 1749329557 PAXWTEWNMIJZGQ-BXKMTCNYSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(C)cccc2C1 1749374156 ZZJPQTOYWQRSTJ-UHFFFAOYSA-N 449.624 4.743 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1749400926 OHHQIJVJWXJLMY-UHFFFAOYSA-N 444.023 4.839 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1749403539 CPIOUNYCTMWOMJ-UHFFFAOYSA-N 443.567 4.892 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749485014 NBRWVMOIOZFNKD-DFBJGRDBSA-N 434.588 4.733 30 10 IJEE C=CCN(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1749499702 ZRHGOPXSNYCCGQ-UHFFFAOYSA-N 430.600 4.509 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C1CC(C(C)(C)C)C1 1749529715 KKGGJOXVUDRANR-UHFFFAOYSA-N 446.599 4.576 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CCSC(F)(F)F 1749585245 YXYZPBWUPNNLDE-UHFFFAOYSA-N 435.519 4.772 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](OC)C(C)C)C1 1749700936 OKFGYBNSWVGHGV-LPHOPBHVSA-N 439.387 4.704 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1749762131 PVDFYPPJLFCCKC-UHFFFAOYSA-N 449.624 4.539 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccco1 1751258182 FVGIKSJQMKTKLI-MRXNPFEDSA-N 425.920 4.843 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](CC(C)C)N(C)C 1760126049 XGIHTWDEBKJIAW-MJGOQNOKSA-N 434.053 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1760296463 RPJDPKSRYXUNDM-GRYUFTJMSA-N 441.019 4.966 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1 1760318168 DSSDUESFDILDTF-NQIIRXRSSA-N 425.964 4.710 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCSC2)C1 1760415836 MEEKFUJQJXCHTC-HSZRJFAPSA-N 430.593 4.932 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1csc(-c2ccco2)n1 1760454809 CXNSFQNCDODOLA-HNNXBMFYSA-N 439.516 4.944 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(c2cccs2)CC1 1760531794 ACKRDYDYSNPGOP-LJQANCHMSA-N 437.613 4.793 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCCC(C)(C)C1 1760533015 ABEUDUMWDZTPID-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)SC)C1 1760537773 QABCVRWRJKUSNN-GOSISDBHSA-N 437.613 4.725 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CCC2)C1(C)C 1766125889 DPDFQKIBHAGECF-VQTJNVASSA-N 439.629 4.742 30 10 IJEE C=CCc1ccccc1OC[C@H](O)CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 1772765730 CZQVWTBBQUKDBF-OPAMFIHVSA-N 440.342 4.674 30 10 IJEE CCCCCc1cc(OC(C)=O)c([C@@H]2[C@H]3O[C@@]3(C)CC[C@H]2[C@]2(C)CO2)c(OC(C)=O)c1 1848441602 HLJBJIDWHMDWEF-ASQNBKIBSA-N 430.541 4.710 30 10 IJEE C[C@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)OCc1ccccc1 1860463650 MBOGBYKCMBZASP-ZDUSSCGKSA-N 425.897 4.598 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2cc(OC)ccc2OC)n(Cc2ccccc2F)n1 1862351300 LEQKJUWLCQBNIH-UHFFFAOYSA-N 435.499 4.569 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(O)cc1 1862411366 FZEPPQNVUUXQKI-DYHNYNMBSA-N 427.447 4.827 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)cc1OC 1862439983 RFDJATDOQABTDI-OAQYLSRUSA-N 443.927 4.982 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862449616 PFHCFIPVYJFQJB-IBGZPJMESA-N 427.884 4.505 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862459326 HHZYBNVIXFRTEC-NRFANRHFSA-N 444.453 4.691 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1[C@H]1CCCC[C@@H]1C 1862604628 GLNABBZIQYAGIX-GERBCZOESA-N 447.531 4.923 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc2ccccc12 1862609579 PVLNBHXDTPQNAH-GYCJOSAFSA-N 443.499 4.988 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862673915 QZSOTTSUEKIOSM-FQEVSTJZSA-N 425.456 4.847 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(C)cc2)cc1 1862688192 UTERWASNCVFYOV-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(C)C)cc2)c1 1862701467 FSTKXMRUYXFCGR-QHCPKHFHSA-N 437.536 4.560 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862728221 WGORVWJMAZGMQW-QFIPXVFZSA-N 428.444 4.860 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(c3ccccc3Cl)C2=O)c1 1862866490 QLLHOSOXABWKAV-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896455 OMERTCFYOBFGIT-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccccc2Cl)C1=O 1863083855 WITMXXNZQTWVIV-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C)[C@H](c3ccccc3)C2)nc(Cc2ccccc2)n1 1869077265 FQGDNRIUNOVIPF-VWLOTQADSA-N 439.607 4.739 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2Cl)ccc1Cl 1870145208 WVBOCZXPZPQYGY-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE Cc1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(Cl)c2)cc1 1870145529 DWUSXSVTELUEQU-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c(C)c1 1870162193 OIKMTUZQPDPCNE-MOPGFXCFSA-N 448.958 4.689 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2)cn1CCCCN(CC)CC 1870471085 ROTYPFMCWMVTBN-UHFFFAOYSA-N 437.628 4.723 30 10 IJEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN(CCCC)CCCC)cc1=O 1870563878 RUWCCONECIUSBS-DEOSSOPVSA-N 445.003 4.650 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CN1CCCCCC1 1870729590 XTQSSEHRZVAAKO-UHFFFAOYSA-N 437.584 4.551 30 10 IJEE C#CCOc1cn(Cc2ccncc2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871007137 OBGGEMPUTSBPRN-UHFFFAOYSA-N 445.563 4.875 30 10 IJEE Cc1cccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CCC3(CC2)OCCO3)C4)c1 1871347996 JVEMEYUBQBXEMV-UCQKPKSFSA-N 447.531 4.757 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871366339 FVMGLEMLPLJTKC-OYKKKHCWSA-N 446.455 4.695 30 10 IJEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccncc3)C4=O)cc2nc1C 1871378965 JPSNGPBVFLRSEY-FMCGGJTJSA-N 437.455 4.785 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3O/C(=C\c3ccccc3)C4=O)CC2)c1 1871397824 RVODRUDXXZZVLZ-UQQQWYQISA-N 440.543 4.947 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871890438 IHUWXAWFFPTELL-FOIQADDNSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1872258566 KMCUNXFGJVNWLZ-INIZCTEOSA-N 438.952 4.690 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1cccs1 1872549646 VUUDJLATNXNIRX-UTKZUKDTSA-N 434.627 4.985 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874270513 UWVUIMXQSKTVOV-BUVRLJJBSA-N 445.504 4.796 30 10 IJEE C=CCSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc(Br)c1 1874347083 VEMPSQAPYBLFRB-PXLXIMEGSA-N 443.370 4.822 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1 1874413668 FTCHVVWEDHRXOS-XQNSMLJCSA-N 441.626 4.553 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)cc1OC 1874447999 QKHDDUGGBVRLQN-LSCMLXDISA-N 438.553 4.630 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2)c1 1874463919 IRIVCWZUDQBOTN-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2)cc1 1874465710 XQMMESMLTXVYJK-AFUMVMLFSA-N 449.511 4.853 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)c1OC 1874467238 YVPAYDZXGGTRTR-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1/N=C/c1cccc(Cl)c1 1874490614 AIAITGRLWNKYMI-OEAKJJBVSA-N 436.025 4.753 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CCC2)cc1 1874493162 YHLZZTJZQVPPSC-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE Clc1cccc(CSc2nnc(C3CC3)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874520184 FVPUPVOEZBPWNC-FSJBWODESA-N 426.929 4.755 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1cccc(OCC(=O)Nc2nccs2)c1 1874600774 CGZKAVVXAKMZSX-FNORWQNLSA-N 428.897 4.719 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])cc1 1875120888 OWJQEPLPVXLWGJ-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1OC(=O)COC 1875156479 CBQFBPJAFQKWOP-IZZDOVSWSA-N 427.453 4.565 30 10 IJEE C=C(COCc1ccccc1)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922095976 ZGHCHELNUTZXCW-QHCPKHFHSA-N 439.552 4.829 30 10 IJEE Cc1cc(C#N)ccc1[C@@]1(C(=O)O)C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 1952773551 XLWFXZUOAAIOQP-IGKIAQTJSA-N 438.483 4.500 30 10 IJEE CCCCCC#CC[C@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024350750 YARCCTJJIPRLCZ-QHCPKHFHSA-N 428.617 4.881 30 10 IJEE COc1cc(C=C(C(=O)C(=O)O)c2ccc3ccccc3n2)cc(Cl)c1OC(C)C 2040457031 HUAHZLVEKOQNDI-UHFFFAOYSA-N 425.868 4.878 30 10 IJEE C#CCN(C[C@H](NCC)c1c(Cl)ccc(Br)c1F)C(=O)OC(C)(C)C 2058343040 XUHDOVQQOBVXDK-AWEZNQCLSA-N 433.749 4.763 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(Cl)c1C 2082806150 IJIKKUPPFHMBDY-CQSZACIVSA-N 429.742 4.656 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)cc2Br)C(F)(F)CC1 2092407674 QLVWRRVIPGMFNG-OAHLLOKOSA-N 430.293 4.767 30 10 IJEE Cc1cccc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c1NC(=O)OC(C)(C)C 2124537537 ZEDQYXIZOZWCFS-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE N#Cc1cc(Br)cc(N[C@@H]2CN(Cc3ccccc3)[C@@]3(CCCOC3)C2)c1 2156296692 QCWHCTICBVKIAB-VXKWHMMOSA-N 426.358 4.556 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 2159120292 FTCPBZXHQNJXTI-IRXDYDNUSA-N 445.348 4.555 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCCC 2159124773 JQJWBTDTTZMSPQ-WOJBJXKFSA-N 437.422 4.975 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](CC)CN1Cc1ccc(Br)cc1C#N 2174563144 RUGPOOGAPUJFKN-OALUTQOASA-N 436.394 4.931 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(C)(C)C(=O)Nc1ccc(C#N)cc1Br 2181109530 FULGHMPSLFRXDF-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3cc(Cl)ccc3Br)c2)OC1(C)C 2199710830 FWROHCHSELORAC-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2235725247 IUERZMKYJKOFMC-ICSRJNTNSA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@H](N)C#Cc2ccccc2Br)c1 2235726795 YLJQAJQBGYJUEJ-HXUWFJFHSA-N 429.358 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[C@H]2[C@@H](O)C#Cc1ccccc1Br 2235741199 SRVFAHBZLWRRJW-JYBIWHBTSA-N 434.374 4.587 30 10 IJEE C=C(C[C@H](NCCC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)OC 2237423972 FTUPCCDLHUEFMA-RBUKOAKNSA-N 441.410 4.803 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]2OCCC[C@H]21 2260022727 WBQGWBLHGKHHRU-KSZLKVKMSA-N 444.616 4.590 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1ccccc1B1OC(C)(C)C(C)(C)O1 2260375285 NZSKBRUQOXWBDA-FXAWDEMLSA-N 447.450 4.865 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(OC)c(Br)s1 2278356027 AUGKDRSAFDTYOY-CZUORRHYSA-N 445.423 4.867 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CN(CCC(F)(F)F)C(=O)OC(C)(C)C 2296222374 RFYAHVACPABHKO-INIZCTEOSA-N 449.311 4.578 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2296275872 BKAZWINHRGVSIU-AQNXPRMDSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2296279807 SNXFMHKHIXGHFK-LEAZDLGRSA-N 434.374 4.730 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C)CN1C(=O)OC(C)(C)C 2296297845 DEZIDDHMTNLCCJ-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CN(CC(F)(F)F)C(=O)OC(C)(C)C 2296308909 OHYAMDDGNNCZIL-INIZCTEOSA-N 449.311 4.578 30 10 IJEE C=CCc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCc1ccccc1 2297359837 AKFGRMXDFAKFBS-UHFFFAOYSA-N 446.532 4.642 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)C(C)(C)C)cc(C)c3C2=O)cc(OC)c1OC 2322643087 KJNJLWHHVDWCPX-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)cc2)cc1OCC 2323635198 PLOQUPBILDQSEX-UHFFFAOYSA-N 431.916 4.548 30 10 IJEE CC(C)(C)c1ccc(C=CC(=O)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 2325506629 ZNAUCVOYCRMLQB-UHFFFAOYSA-N 437.495 4.981 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2Cl)ccc2c1OC(=Cc1ccccc1)C2=O 2325642749 VGLOTZCYFJXECY-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2328386374 PNGPYOJCCURVTL-UHFFFAOYSA-N 446.532 4.746 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccccn2)cc1 2328571437 CNUHWLCXOLTVCO-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE COc1cccc(C=NNc2ncnc3[nH]cnc23)c1OCc1ccc(Cl)c(Cl)c1 2328810565 CYIAHLMRKGBDAY-UHFFFAOYSA-N 443.294 4.693 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C)cc1 2329148220 HARQBGYABGYREP-UHFFFAOYSA-N 442.972 4.758 30 10 IJEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1sccc1C 2330147819 XOUHIHRFGHWMGQ-MRXNPFEDSA-N 428.583 4.727 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)c1 2330799794 DHUIZVZFQYVVOP-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2ccccc2O)o1 2330835192 FDGYONWLMSVRPA-UHFFFAOYSA-N 442.541 4.517 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2c[nH]c3ccccc23)o1 2331079560 ZWNWZACHRNDONO-UHFFFAOYSA-N 449.536 4.971 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC(=O)COCCOC 2331156145 VQWBGSPRWLSKAS-UHFFFAOYSA-N 444.911 4.542 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(F)cc1F 2331376396 AAFKKCRXGZIRFN-UHFFFAOYSA-N 447.486 4.606 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)c1 2331432781 YCPUOWLEPSBQPW-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(=O)COC 2331579842 OAJPTDZDFPDXKS-UHFFFAOYSA-N 426.509 4.974 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CC2)c1 2331728810 KIGAEPCRDLGITD-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CC(C)(C)CN(CCC#N)Cc1ccc(I)c(Br)c1 2349845554 PVMIYFBGMIRTEC-UHFFFAOYSA-N 435.147 4.815 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357062921 DNWZIVMGFQKERE-IGRGDXOOSA-N 447.428 4.802 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2360194071 GJEIOVKVRDDZHN-HOJAQTOUSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(C=Cc2ccc(=NCCc3ccc(Br)s3)[nH]c2)OC1(C)C 2365100887 IVATVWFSCPFWTO-UHFFFAOYSA-N 435.196 4.627 30 10 IJEE N#Cc1ccc(F)cc1COCc1ccc(I)c(Br)c1 2377640096 NHOQVLFWSQJHAB-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE O=C1/C(=N\c2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc2N1CN1CCOCC1 16524200 WYKGARUQYWDEJY-PNHLSOANSA-N 447.922 4.889 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)c1 35513616 ZPZFGXDAXXMJFS-IBGZPJMESA-N 434.448 4.703 30 10 IJEE C=CCn1c(C(=O)NCCN2CCCCC2)cc2c(OCc3cccc(C)c3)cccc21 35908479 UPCHGVXJVMCOCT-UHFFFAOYSA-N 431.580 4.930 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3OC)n2)cc1 59018809 LCTKNQMDHVIQOZ-LJGKHRNASA-N 438.557 4.504 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 59792092 BAWIEBKNZVJSJD-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(F)ccc1F 101189915 CEOBWWQQKADQSA-UHFFFAOYSA-N 444.507 4.669 30 10 IJEE COc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921843 GWOLMUHUUZVKGT-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE CCc1nc(N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)sc1C(=O)OC 169941474 XXBMCIADGUHGEB-CFRMEGHHSA-N 439.537 4.834 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170113711 XOVYFGOUMGOKRD-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1ccco1 170123414 YSYTVZWSMAGXNW-QFIPXVFZSA-N 429.428 4.813 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(O)cc2)cc1C 170130417 JQPBVLDGNQAGOO-JOCHJYFZSA-N 449.528 4.939 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)c1 170161797 PNNDNOWEYQULQY-LIRRHRJNSA-N 447.940 4.558 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccs2)cc1 170164248 FRSRDULGTOMEIZ-NRFANRHFSA-N 443.565 4.932 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccnc1 170189117 URSPARSXRYVHKF-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc4ccccc34)[C@H]2c2ccncc2)cc1 170205916 SDTKMINNUYLLQM-XMMPIXPASA-N 431.451 4.889 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1C 170275025 MPYDONMKSZVRCV-QHCPKHFHSA-N 442.515 4.794 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccco2)c1 170290728 MXLOBRNLHFALSW-HXUWFJFHSA-N 425.387 4.739 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(C)o2)cc1 170301519 WBNNZSJIACMRCK-HSZRJFAPSA-N 445.471 4.705 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccncc2)cc1 170359367 QWKPTEIDQXASGV-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c[nH]c3ccccc23)cc1 170384232 XJPLQSAIPAFRAB-QFIPXVFZSA-N 428.444 4.943 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1O 170408784 UFJHRAYXSFBCEM-JOCHJYFZSA-N 433.460 4.900 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2O)ccc1O 170465261 RWPMJPKTWVIRMN-IBGZPJMESA-N 445.899 4.665 30 10 IJEE COc1ccccc1/C=C1\S/C(=N\N=C/c2ccc(F)cc2)N(Cc2ccco2)C1=O 210556408 NRUHGZAGUKUFTK-VBARTGPDSA-N 435.480 4.934 30 10 IJEE COc1ccc(C#N)c(Nc2cc(I)ccc2Br)c1 311790014 ZZJDXJJCOIEIJB-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)cnn1C(C)C 407246419 XIEFWNROAWGCNY-CVEARBPZSA-N 429.403 4.737 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC(c3nc(C(=O)OCC)cs3)CC2)c1 429759873 QLVKWKYSIZZGBD-UHFFFAOYSA-N 429.542 4.686 30 10 IJEE CN(C)c1ncn(-c2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1 430435930 RFDXNSCDOUCCTI-UHFFFAOYSA-N 440.532 4.608 30 10 IJEE C=CCN1C(=O)N(Cc2ccc(Oc3ccc(F)cc3)nc2)C(=O)[C@@H]1Cc1ccccc1 430747197 KPLFOZRREUKBGV-QFIPXVFZSA-N 431.467 4.575 30 10 IJEE N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3cccc(C(F)(F)F)c3)ccc21 469971036 BXSITYSVMLHNNS-UHFFFAOYSA-N 429.442 4.860 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc([N+](=O)[O-])c(OC)c1 484716380 TWYSAUIOMOAIKT-UHFFFAOYSA-N 426.498 4.561 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(Cl)c3ccncc23)CC1 490654878 HPDFQTKAERGBBU-UHFFFAOYSA-N 447.882 4.863 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1 508873627 ODXBIEDHBOKHJI-UHFFFAOYSA-N 428.993 4.527 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526519595 CHZXLQBEIMSEDE-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526802448 IENNXASIHWXEED-QRVIBDJDSA-N 443.504 4.851 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2/N=C\c2ccc(Cl)cc2Cl)o1 526830229 SNFVCVZYJYKVMX-WNFQYIGGSA-N 425.297 4.529 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 549644488 RHYGDIBYSSVRSH-MRXNPFEDSA-N 432.450 4.615 30 10 IJEE C#CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 586126734 RASBDCHQGRWQCN-UHFFFAOYSA-N 440.362 4.863 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609083276 GQKHQOOUQFBKSS-HNNXBMFYSA-N 426.467 4.607 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(C/N=C3/NC4(CCCCC4)CS3)COC2)cc1 705692379 PXNMLXNCVKHLFN-UHFFFAOYSA-N 435.637 4.853 30 10 IJEE Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2oc3ccccc3c2C)c1 734300224 MRDOCLIYIKMSGM-JOCHJYFZSA-N 447.560 4.850 30 10 IJEE Cn1c(=O)ccc2ccc(N=Cc3cc(Br)cc(Br)c3O)cc21 775230826 HCYJNYCOFQGQOJ-UHFFFAOYSA-N 436.103 4.520 30 10 IJEE C#CCN(C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)C1CCCC1 788869941 AOPPBJBXHYKPPX-NRFANRHFSA-N 426.358 4.715 30 10 IJEE C=CC[C@@]1(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)CCCN1C(=O)OC(C)(C)C 790852894 WCNLBFCGBAXXDY-QHCPKHFHSA-N 431.964 4.697 30 10 IJEE C=CC[C@@]1(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 791776880 IICGNIXNYATGOR-CMJOXMDJSA-N 444.482 4.953 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC=C(Br)C1 812190286 VDIMCVUNLOJBTK-OALUTQOASA-N 429.362 4.588 30 10 IJEE CC(=O)N1CCc2cc(/C(=N/OCc3ccc(Br)cc3F)C3CC3)ccc21 821232605 IIEGXOSNAHWGTR-DARPEHSRSA-N 431.305 4.828 30 10 IJEE O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1084119128 JRZCIGBSYOPPES-QHCPKHFHSA-N 443.572 4.567 30 10 IJEE CCCCCCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1 1086996348 MGWAMBSGIIECTP-UHFFFAOYSA-N 431.530 4.690 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(F)c(Br)c1 1125737232 YLIVUTWQGFOTJT-UHFFFAOYSA-N 446.089 4.713 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2C1CCCC1 1126228638 LQLYKSPZQQINMW-NRFANRHFSA-N 440.540 4.618 30 10 IJEE CCC(C)(C)N(CCC#N)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 1128197509 ICWJGVCJLGEJSY-UHFFFAOYSA-N 433.581 4.957 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](CC)c2cc(F)cc(Br)c2)c(OC)c1 1128219569 NLGTWRKHWBIGES-GOSISDBHSA-N 436.321 4.972 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C(F)(F)F)cc1 1128865688 ADJMXJAMALSDON-MRXNPFEDSA-N 445.296 4.647 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Br)c(C)c1F)c1ccc(Br)cc1 1129731478 USOLQJMLHMYGIF-OAHLLOKOSA-N 425.095 4.763 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Br)c1ccccc1 1133168076 LACJSXRCZYWRCS-IBGZPJMESA-N 436.371 4.680 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 1136008233 RCVPJRHSAYVWSK-SFHVURJKSA-N 440.931 4.976 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)c1 1142642778 QGGMIRSWRSGCPI-UHFFFAOYSA-N 425.550 4.695 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2F)nc1 1156299919 FSZHEJXKZLXBTM-MRXNPFEDSA-N 435.883 4.987 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1 1202914370 HVOVSWBZPZEAKU-UHFFFAOYSA-N 434.496 4.509 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)c3ccc(OC)cc3Br)cc2n1 1209582733 XWBZCCPIAKRDGD-CYBMUJFWSA-N 429.318 4.876 30 10 IJEE CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1214718889 DVRPXDXHFSZXMV-RCZVLFRGSA-N 435.524 4.575 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)C1 1248676883 SWOLWRMIEHHNLM-NQIIRXRSSA-N 430.017 4.642 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c(F)c1 1254823854 CXSDZAXNJBQSQB-AZUAARDMSA-N 447.432 4.825 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCc3cc(Br)ccc32)cc1 1264801466 DLODQBAMJGVKNK-NRFANRHFSA-N 439.353 4.932 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Cl)c(Br)cc1F 1264834677 NWRTVWWDYQTGFL-UHFFFAOYSA-N 432.680 4.991 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 1274101613 WHEJQQRNNYKYEC-KRWDZBQOSA-N 425.369 4.842 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cc1F 1286439008 JXUQDNVKIKMOJE-UHFFFAOYSA-N 437.313 4.555 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1Cc1c(CC)nn(C)c1CC 1286455506 FIWPKSOHZKWRBL-UHFFFAOYSA-N 448.590 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286527661 GTVQVFIMJYDLJD-UXGLMHHASA-N 436.600 4.670 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1286699059 NOHMFNWEVNRROV-PZJWPPBQSA-N 426.536 4.724 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cccnc1OCC 1286716218 BESQNJGSFQVHGS-UHFFFAOYSA-N 442.567 4.817 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CCC(=O)Nc1cccc(Cl)c1C 1286729808 CEEUJQSYVWINMZ-UHFFFAOYSA-N 429.977 4.543 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1286767362 PVVRNMMOYXXNQV-BZSNNMDCSA-N 445.405 4.783 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1300347363 DFOWWWYSUDKVNL-ROUUACIJSA-N 427.390 4.912 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCO[C@H]1CCCC[C@@H]1C 1300602081 NSXHPLNVQUYUGQ-ZJOUEHCJSA-N 428.552 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCN(C(C)C)C1 1300606773 UAZDLEMEBIGEAL-HXUWFJFHSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccc(C)nc1 1300786144 DJLYDYKAKAEHCK-RXFWQSSRSA-N 445.567 4.561 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1301009229 JQEQWHWEOOPGLC-HSZRJFAPSA-N 431.584 4.761 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(CCC)C(=O)C1 1301139736 URYZJWKCOUSOBA-QFIPXVFZSA-N 437.632 4.871 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccccc1F)C1CC1 1301317775 YSWSJGQJROFXPI-OAHLLOKOSA-N 427.911 4.755 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CCC 1301346414 BYIJSMWZXPMHPX-DEOSSOPVSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1301363195 PSXMPFSKRGLOAV-UHFFFAOYSA-N 447.612 4.873 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC[C@](C)(O)c1ccccc1 1301367807 SNWMHEAZKZVZFU-QPPBQGQZSA-N 438.597 4.682 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCC(F)(F)CC1 1301394227 LELJOZFMRJPAPN-UHFFFAOYSA-N 426.515 4.521 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)OC(C)(C)C1 1301594329 AWBLGLCPVOLOEO-ICSRJNTNSA-N 444.645 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)C[C@H](O)COc1ccc(Cl)cc1Br 1307426294 FDFKJFCCCIVLKO-INIZCTEOSA-N 428.729 4.670 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 1309216223 GCHDMYXOWYIVCB-JWQCQUIFSA-N 432.545 4.726 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCCc3cc(Br)ccc32)cc1 1310167542 BOEGZOCZEJZTHS-FQEVSTJZSA-N 442.357 4.954 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cccc(Oc3ccccc3)n2)ccc1OC 1311311282 BZSJVUUIEYDHHG-GOSISDBHSA-N 432.480 4.885 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1)c1ccc(F)c(F)c1 1311851140 PSKOENYXUBPEIH-KKSFZXQISA-N 435.902 4.822 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)nnc1CC)c1ccc2c(c1)OCCO2 1352837751 MGLVRHHUFOPVHS-UHFFFAOYSA-N 445.519 4.530 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccccc2SCC)c(C(=O)OCC)c1C 1357816468 FXDXHBDDSVPGAX-UHFFFAOYSA-N 447.578 4.869 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1359151745 AEIOWHDENILQLH-UHFFFAOYSA-N 440.032 4.845 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@H](C)C(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359156781 PRKGARNKLBBPIE-BHYGNILZSA-N 438.016 4.674 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)CCC)CC1 1359182095 SDCZDGXFMOZAIH-QHCPKHFHSA-N 430.618 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc([N+](=O)[O-])c1 1359192888 QXCFDRAMOGPORU-QGZVFWFLSA-N 443.458 4.976 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1359204757 ZYOPLHCOHZYWKY-QHCPKHFHSA-N 444.627 4.721 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1359204887 FJSSILSLLWTANP-VWLOTQADSA-N 449.574 4.709 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359209643 UFVVOUYRRNSNLL-FQEVSTJZSA-N 425.968 4.615 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1359237292 RVRNDNGBDDDYJA-WOJBJXKFSA-N 434.632 4.816 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[C@H]1CCO[C@H](C)C1 1359261381 GZBWGAVAEMZAIN-IRLDBZIGSA-N 449.574 4.801 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)[C@H](C)CC 1359268686 ZKSNGNSVDCTXHJ-VGSWGCGISA-N 447.421 4.992 30 10 IJEE C[C@H](c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1)C(F)(F)F 1434982965 CTTHGPYFCRSIPR-OAHLLOKOSA-N 429.442 4.715 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 1449600752 UKAIGZSWWBNXEK-QFIPXVFZSA-N 440.584 4.586 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1OC 1458212891 YCJASCXQMWTGFZ-CSNYQSHPSA-N 427.369 4.971 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])cc1OC 1458324622 ZFKUSSBIGJLVBU-BMGIKKBBSA-N 446.459 4.909 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@](C)(CO)C2CCCCC2)cc1OCC 1461231286 HSHLKLYMZPGTSC-NRFANRHFSA-N 426.395 4.834 30 10 IJEE C#C[C@H](NC(=O)Nc1ccnc(Sc2ccccn2)c1)c1ccc(Br)cc1 1465542341 OPUGZSNQSNMWQX-KRWDZBQOSA-N 439.338 4.886 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)[C@H](C)CN1C(=O)OC(C)(C)C 1466498200 AQBCMNQIHWYVCF-MSOLQXFVSA-N 434.540 4.772 30 10 IJEE O=C(Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H](O)c1ccc(C(F)(F)F)cc1 1467390543 CGERCZWQJCBCGG-HNNXBMFYSA-N 425.300 4.848 30 10 IJEE O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[C@@H]1c1cccc(F)c1 1474822335 FMMVJUARHFBNTM-ZVJHWVFESA-N 433.389 4.511 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 1476000078 KKWPEWAWUGVTDJ-AVRDEDQJSA-N 441.959 4.715 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1F 1478900029 JTBQIIBSMZKHBW-CDXJDZJCSA-N 449.954 4.586 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCN1CCCC 1507526653 DHNICAJFFCYSBC-SFTDATJTSA-N 432.616 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1Cl 1507804992 MYCNYLJYYYTMMH-CVDCTZTESA-N 437.975 4.535 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1507904686 NVCXTIBMAATICR-JOCHJYFZSA-N 439.604 4.775 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2ccnc2C)CC1 1507909184 UVJYXTCVODYDKY-UHFFFAOYSA-N 448.615 4.762 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1507916308 OFEHEPCGJYFVTK-FYYLOGMGSA-N 437.632 4.833 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](COC(C)C)C1 1507942661 SIHPTRVICKDSGM-FQEVSTJZSA-N 444.645 4.872 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1507965010 JKSCHDNEANLFTL-XLIONFOSSA-N 427.420 4.624 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)N(CC)CC)C1CC1 1507987409 BFOBHQXUTZDPCN-MRXNPFEDSA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CCCSC1 1508008267 LCERRVGRSOCUDB-LJQANCHMSA-N 437.588 4.739 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)CC[C@@H]1C)C(C)C 1508014175 TXPLZWIZWNOQME-JCTONOIOSA-N 436.648 4.972 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)cc(OC)c1OC 1524995143 JHWBFRTUPUUJQD-UHFFFAOYSA-N 425.525 4.959 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)[C@@H](C)COC 1531887903 WUHUTLKEPXSJKX-AWEZNQCLSA-N 434.876 4.712 30 10 IJEE C=C(C)C[C@H](NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)C(=O)OC 1531945292 FRLZUIQMKKELLT-NRFANRHFSA-N 445.540 4.767 30 10 IJEE C=C[C@H](CC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1)c1ccccc1 1533929078 BDPCCNZSIFSZPN-NJNPRVFISA-N 430.951 4.717 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F 1538535602 CYOIVEHMSZAEQZ-MRXNPFEDSA-N 425.369 4.890 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1csc(C)c1 1539399159 DRRDCQKAORXTNU-INIZCTEOSA-N 440.638 4.636 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1539497627 NFJRCRQIAKTSAI-UXHICEINSA-N 445.032 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(C)CCCO1 1539566387 JKSIAAUEPGDQOX-CLJLJLNGSA-N 436.600 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1539616480 RCMNCOITSCUQKJ-UEXGIBASSA-N 430.980 4.694 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1539952962 MXRFVTOEROGEJB-JXFKEZNVSA-N 432.515 4.907 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1539953363 QNRIJUUXVYOHDJ-IEBWSBKVSA-N 431.531 4.576 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1539974698 FIWDRRHROZAWQR-YADHBBJMSA-N 442.629 4.619 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1540077124 HYDGXFJAKVGRDT-HNNXBMFYSA-N 428.005 4.774 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1540098970 OKUWZSGQDZZKOK-UHFFFAOYSA-N 438.557 4.810 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CCOc1ncccc1Cl 1540126883 MEMIIRPITFUITF-UHFFFAOYSA-N 425.964 4.896 30 10 IJEE CC(C)(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@](C)(O)c1ccco1 1541171909 HYNZTCLBGQKFCP-SANMLTNESA-N 445.567 4.533 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)C1 1541486568 HDXLKPNMNPTMBB-IFMALSPDSA-N 432.572 4.585 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)c1 1542810977 SQASQDBYEIZEAQ-UHFFFAOYSA-N 448.610 4.956 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)cc1 1545045056 FGGILVSMJRYEIJ-UHFFFAOYSA-N 434.536 4.706 30 10 IJEE CCc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](CN(CC)CC)C2)s1 1546250421 FINJGLQTZKLGBN-HXUWFJFHSA-N 448.640 4.657 30 10 IJEE COC(=O)COc1ccc([C@H](C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 1556126901 FJSYMEXXTVALSN-KRWDZBQOSA-N 446.528 4.752 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)c2ccc(OC)cc2)nc2sc3c(c2c1=O)CCC3 1559328443 BFCJCTICIRAUGO-KRWDZBQOSA-N 440.590 4.895 30 10 IJEE C=C[C@@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1)C(=O)OC 1559329066 XZCZJHDMQKKJLT-GOSISDBHSA-N 434.542 4.934 30 10 IJEE Cc1c(C#N)c(SCc2cc3c(cc2Br)OCCCO3)nc2c1CCC2 1559341875 GJGQMDQQPHINBX-UHFFFAOYSA-N 431.355 4.967 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1ccc(C)cc1 1559391168 RRTXJSSEOOHTER-INIZCTEOSA-N 438.553 4.535 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccccc1COc1ccccc1Cl 1561254778 GORLOLIBSVFPJX-UHFFFAOYSA-N 444.915 4.717 30 10 IJEE CC[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)N1CCc2ccccc2C1 1562278089 GPWUARVXINZXHN-HSZRJFAPSA-N 441.535 4.704 30 10 IJEE C=C(CNC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1)c1ccccc1 1564881819 CZWAOUJBFCBOIA-JOCHJYFZSA-N 439.600 4.911 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cc(F)c(Br)cc1F 1565170356 WKKYHJWCQXRTJD-UHFFFAOYSA-N 425.273 4.634 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(F)cc2F)CCCC1 1567060686 ABFHYPMUYUVYFL-KRWDZBQOSA-N 428.907 4.886 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1587786873 BXKDOHUDUIVLKG-UHFFFAOYSA-N 437.613 4.644 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(F)(F)F)CC1 1589026071 BAEDZPMDEFODFF-UHFFFAOYSA-N 443.926 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCc1nnc(C)s1 1589625449 GHVSCFGLTHQUDN-UHFFFAOYSA-N 447.406 4.513 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCCN2CCCC[C@@H]2C)CC1 1594134113 MAVYPXNWPYAYFH-QFIPXVFZSA-N 437.632 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1594473292 POCMJWBXXLIXCG-KDURUIRLSA-N 442.604 4.957 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C2CCCC2)CC1 1594635161 RSWOJAXLPFZZJH-UHFFFAOYSA-N 425.596 4.819 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1594794030 XQDMZOYCQXJTDS-NRFANRHFSA-N 448.615 4.563 30 10 IJEE C=CCN(C)c1nnc(CCc2ccccc2)n1CCc1ccc(Br)s1 1594992842 UGMLCICFCOGRGG-UHFFFAOYSA-N 431.403 4.752 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1595034215 XYWRWUHJAZWXND-WBVHZDCISA-N 431.378 4.535 30 10 IJEE C#C[C@H](NC(=O)/C=C\c1ccc(OCC=C)c(OC)c1)c1ccc(Br)cc1 1596986044 YUKCSAZVFYGZKS-INWINEHPSA-N 426.310 4.526 30 10 IJEE C#CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCCc2ccccc21 1611223102 MSGIXRGOSNVCSN-LJQANCHMSA-N 436.360 4.550 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)N(C)C 1611291662 BTHUOUJDTUCVEV-IERDGZPVSA-N 447.002 4.986 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncc2c(n1)CC(C)(C)CC2=O 1614649405 HGFGUOZQFMBELA-CQSZACIVSA-N 440.594 4.614 30 10 IJEE C#Cc1cccc(N(C)C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 1615692929 ORWZOLIKYJVSFK-UHFFFAOYSA-N 429.907 4.913 30 10 IJEE COCCC1(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@H](C)C#N)CCC1 1619784139 AKDUYFGHCHVQTH-ZWKOTPCHSA-N 441.645 4.934 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1623086271 CFZCJFBGXJMDEF-WOJBJXKFSA-N 441.572 4.590 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 1623152361 REPUJFIGDXPXJB-UHFFFAOYSA-N 438.919 4.735 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)C1 1625057098 AQSGLAREEUNHKN-BXXSPATCSA-N 437.584 4.547 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@H]1CCCc2ccccc21 1629247412 BSWLSRCRTRZULS-KOSHJBKYSA-N 430.552 4.754 30 10 IJEE C=CC1(CC(=O)N2CC[C@@H]2c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1630162042 VUSDKJNVJORQCK-QGZVFWFLSA-N 435.362 4.536 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C 1632421774 MVJMTTCBUVOMNM-GOSISDBHSA-N 438.572 4.723 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1)c1ccc(F)c(F)c1 1634436232 WSKBKSNNBHMXLW-IBGZPJMESA-N 442.441 4.754 30 10 IJEE C#CCN(C(=O)N[C@H](C)CCc1ccc(I)cc1)C1CCCCC1 1634919214 VIPNDKYQZZEXTN-MRXNPFEDSA-N 438.353 4.590 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)s1 1636411297 BYXJFHKJNVFDGA-CYBMUJFWSA-N 448.054 4.648 30 10 IJEE C=CCC1(O)CCN(C(=O)[C@@H](Oc2ccc(Br)cc2F)c2ccccc2)CC1 1645771910 HLJQBQRMRUBBQB-FQEVSTJZSA-N 448.332 4.638 30 10 IJEE C=CCn1c(SCOC(=O)N(CC)CC)nc2sc(-c3ccccc3)cc2c1=O 1651730567 ZNGQJJNBGZTZOL-UHFFFAOYSA-N 429.567 4.839 30 10 IJEE C=CCn1c(SCc2ccc(S(=O)(=O)CC)cc2)nnc1-c1ccc(Cl)cc1 1652406088 FJJXRKIHMVXBEO-UHFFFAOYSA-N 433.986 4.870 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 1652423841 KVORTMTWCABUFG-CQSZACIVSA-N 433.321 4.806 30 10 IJEE COC(=O)c1cccc2c1CCCN2Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 1652821550 BXUBXKUBUNLYGN-UHFFFAOYSA-N 442.515 4.885 30 10 IJEE N#Cc1cccc(NC(=O)CCN[C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 1654213835 DNRXFEZLPCLGCU-JOCHJYFZSA-N 449.352 4.618 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(CC)nn(C)c1CC)c1ccc(C(F)(F)F)cc1 1654702885 SDBYEMTUINMIDN-KRWDZBQOSA-N 429.508 4.550 30 10 IJEE COc1ccccc1[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1Cl 1660463829 FVMBDDMPPDUOEY-OAQYLSRUSA-N 447.343 4.942 30 10 IJEE C=CCCCCCN(C)S(=O)(=O)c1c(Br)cc(C)cc1Br 1661672694 SBASCASJDJDSCW-UHFFFAOYSA-N 439.213 4.887 30 10 IJEE C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1c(Cl)cccc1Cl 1661817274 HWUAPBIYOKWLFA-SNVBAGLBSA-N 437.270 4.966 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CN(C)Cc3ccccc32)cc1OCC 1662146616 WTPDZUMOTBSKAV-HXUWFJFHSA-N 431.374 4.689 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCC(C)(N2CCCC2)CC1 1662577569 SQBDYHUHSGIFDX-UHFFFAOYSA-N 436.394 4.933 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NCC2(c3ccc(Br)cc3)CC2)c1 1666752170 BPXXNSIEGVMEGD-UHFFFAOYSA-N 436.256 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 1668073067 TWISNNWTYSTBHR-AOMKIAJQSA-N 426.538 4.712 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)c1ccccc1 1671198915 IKCWSVZCCWJYMS-IBGZPJMESA-N 432.973 4.991 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1671851190 CIPFSELMHCNTTK-UZLBHIALSA-N 437.531 4.918 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)cc1 1672952567 VREFVCBBIVEANO-LJQANCHMSA-N 426.944 4.525 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1676427422 FDSQDKOBENNPKL-INIZCTEOSA-N 429.362 4.974 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 1677213571 QSNMGUCQKQHZTJ-GOSISDBHSA-N 440.584 4.997 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 1677429834 WTLDPLNAKIKPBZ-GOSISDBHSA-N 445.494 4.650 30 10 IJEE CCC[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 1678093918 DMAULFLTDHKKFY-JOCHJYFZSA-N 444.501 4.946 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCOc2ccc(OC)cc21 1678356142 NCCUABRBUSAUIY-INIZCTEOSA-N 433.302 4.668 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1cc(Cl)cc(I)c1 1683508894 DWNGLYXNMIOGEX-UHFFFAOYSA-N 446.741 4.904 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1)c1ccc(Cl)cc1F 1683517162 ROZTWPGGAADOKK-NHCUHLMSSA-N 436.861 4.587 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccc(Cl)cc1F 1683689797 SVUKMOPLPYGATM-GHTZIAJQSA-N 442.922 4.539 30 10 IJEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(Cl)cc2Oc2ccc(Cl)c(C)c2)C1 1683724342 ZPZBTSYAJGUQBC-IBGZPJMESA-N 446.378 4.991 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(OCC)c(OCC)cc2C1)c1ccc(Cl)cc1F 1686922478 JTTRLOWVCRBQHL-HXUWFJFHSA-N 430.907 4.719 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCC[C@H](SC)C1 1689920886 MSPVAQSFSMPATN-FQEVSTJZSA-N 442.629 4.878 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC=C)Cc1ccccc1F 1690163932 WEZNEJWOVJVWFB-UHFFFAOYSA-N 441.963 4.692 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCN1CCCC 1690207570 DDQBLOAVSSSGIT-ATIYNZHBSA-N 437.607 4.655 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](OCCC)CC1 1690224083 ALMQRROWBNWLAG-INIZCTEOSA-N 437.357 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1ccccc1C 1690240260 CXKDEWVABNHZBI-OFNKIYASSA-N 436.556 4.651 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCN1CCc2sccc2C1 1690567439 CWPMUTDGVLWAKU-UHFFFAOYSA-N 439.604 4.853 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC(C)CC1 1690575780 AJULXLIVOKOCIP-FQEVSTJZSA-N 436.629 4.715 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1690595500 YCYDTYQCMZIOKM-NHCUHLMSSA-N 429.996 4.654 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCC2(C)CC2)C1 1690687717 IDEKKIWZJCGLJX-GOSISDBHSA-N 431.378 4.679 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2CCCC[C@H]2C1 1690750153 BFTVRVBTJAMIQB-UXHICEINSA-N 442.629 4.801 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccsc2)C1 1698485801 CPOYXEBFCQPVJO-IBGZPJMESA-N 433.965 4.776 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCCN1CCCC1 1705481312 DQTXXVUIMIOIMM-UXHICEINSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@H]1C 1705677828 DBVGMLRUMOQVMG-NLSFWIRASA-N 445.032 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)CN1CCCC1 1705716747 UNWUTBCHPNJLMJ-UHFFFAOYSA-N 431.575 4.672 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705722111 VNHDFWDBPFVWHT-NRFANRHFSA-N 437.632 4.950 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N(C)C1CCN(CCC)CC1)c1ccccc1 1705743676 FQFUCFDPOQQDSK-UHFFFAOYSA-N 435.641 4.954 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCCOC2)CC1 1705777789 OOKZYMZGGLXCJM-FQEVSTJZSA-N 440.588 4.570 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705813431 HPTRYTZTCOCIRS-VFNWGFHPSA-N 437.371 4.602 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1705845258 MCXCMLJHDQFYFR-UNMCSNQZSA-N 435.641 4.853 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)[C@H]2C[C@H](OCC)C2(C)C)nnc1C(C)(C)C 1705914140 HIXLYPGWUPDEDU-SFTDATJTSA-N 426.605 4.829 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CCC1(O)CCC1 1706917361 CKXPFJACPSMGTI-KRWDZBQOSA-N 443.979 4.507 30 10 IJEE CCC(CC)(Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](F)(C#N)C1)SC 1708681185 BPCWOEDUXQHTHS-JOCHJYFZSA-N 445.608 4.838 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2cc(F)ccc2Br)n1CC(F)(F)F 1711167922 CYWMVJAWMKJPLY-UHFFFAOYSA-N 449.168 4.798 30 10 IJEE COC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)CCCC1 1711633608 GMSVNDCZAGMYOV-UHFFFAOYSA-N 437.588 4.563 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1722301797 NNINLHOSQBQQGZ-RDGATRHJSA-N 433.644 4.771 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](COCc2ccccc2)C1 1722526365 WDFKBTFFAZXOGC-YTFSRNRJSA-N 438.616 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@@H]1C 1722589728 NNAYZXRAXRDLER-IBGZPJMESA-N 426.605 4.982 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CSCCS1)C1CC1 1722645851 CBYQYUJHAGANHB-INIZCTEOSA-N 437.034 4.611 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCCOC2)C1)C(C)C 1722666828 SAPJGCGIAIPMJQ-NVQXNPDNSA-N 443.680 4.572 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCSC1 1722677099 UCZDWZNXKWSTQY-FQEVSTJZSA-N 440.588 4.979 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCCC(F)(F)C2)n1 1724495913 FBIZTILFNZDYKA-AVRDEDQJSA-N 428.531 4.994 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740584467 LVDBHIJHZGRMNB-KRWDZBQOSA-N 441.004 4.810 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740596735 DSNSTRHHIMDUSS-YADHBBJMSA-N 438.641 4.935 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCOC1 1740767845 AANVSEMRHFLJID-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1740779386 DJBZSAGDKIVGSZ-LJQANCHMSA-N 444.421 4.657 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1740901207 KDRLHSQSYYMDIY-UHFFFAOYSA-N 425.964 4.765 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2Cc2ccc3c(c2)OCCCO3)o1 1742186545 DADDXCKYTOBWMB-UHFFFAOYSA-N 449.555 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCSC1 1748654810 LHUYQLOQJUZLCR-CVEARBPZSA-N 433.419 4.617 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1748724428 SBWAMCRMBBMSIW-UHFFFAOYSA-N 449.643 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1748872432 COKIJWXVMHPXCF-RBJSKKJNSA-N 444.623 4.911 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C1CC(C(C)(C)C)C1 1748956905 NIELOKALSSTJPX-UHFFFAOYSA-N 430.980 4.690 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1ccco1 1749023132 NRQJQNXGYFLJIX-UHFFFAOYSA-N 445.592 4.948 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@@H](C)[C@@H]1C 1749024511 SUQLUPZFSFOQLV-IRXDYDNUSA-N 446.711 4.972 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CCSCC 1749098941 RZZQVTDKVNJILF-AWEZNQCLSA-N 427.387 4.961 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)[C@@H](C)C1CCC1 1749187430 IYOSERACVQQTJT-SFHVURJKSA-N 434.588 4.827 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(F)F)C1 1749218275 KATABHJZMXUXNW-OAHLLOKOSA-N 440.922 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCN(CCC)C2)CC1 1749330593 ILKRHJNOLHGZEQ-IBGZPJMESA-N 445.558 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1749369251 ZYEKRNXJJFIHBO-UHFFFAOYSA-N 444.023 4.572 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1749418165 YYZKTGPTXQRBJJ-KRWDZBQOSA-N 427.911 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@@]1(N(C)C)CCSC1 1749548691 HEKHQIGRMOEUPC-QFIPXVFZSA-N 443.642 4.538 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749686676 DBTLJWXKWXYMOY-SFTDATJTSA-N 437.632 4.715 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2sccc2C)C1 1749696499 UYIWWBFYKVHEJQ-LJQANCHMSA-N 428.989 4.992 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C2CC2)CCC1 1751098275 CQCSVDLIRAAVHV-MJGOQNOKSA-N 442.608 4.669 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)c(F)c1 1760103324 CRNFGTNEOIZXHO-NSHDSACASA-N 437.313 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)c1nc(C)cs1 1760106759 GPSJDDFLHOBBBO-HIFRSBDPSA-N 444.402 4.734 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccnc(OC2CCCC2)c1 1760121579 WROWBOHDZFSZHC-OAQYLSRUSA-N 443.595 4.676 30 10 IJEE C#CCCCCn1c(COCC)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 1760143188 YKUUPLBRVSTJQX-UHFFFAOYSA-N 441.626 4.674 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCCc1ccccn1 1760147416 QNVNSWFJVYFUHI-UHFFFAOYSA-N 444.402 4.647 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCCN1CCCC 1760227553 HQSNYXNMJVGFOJ-XMMPIXPASA-N 433.644 4.862 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1cccs1 1760229496 UEUUNUOKFKAYBK-FQEVSTJZSA-N 435.380 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN(CC(C)C)C1 1760289272 LGVUGSBTRUJCJI-NBGIEHNGSA-N 440.035 4.959 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cnc(C)s2)CC1 1760393362 OMPCTOILAXGBAF-UHFFFAOYSA-N 427.599 4.549 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1760411814 DBWPMXZSOQTEMA-SFTDATJTSA-N 426.580 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCCC[C@H]1CC 1760454253 BUOOIVWMTBKVJR-LJQANCHMSA-N 432.410 4.594 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN(CC(C)C)C1)C1CC1 1760471682 DPVNXRUEFJSTGW-SFHVURJKSA-N 429.012 4.516 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCO[C@H](C)C1 1760478679 OVRPXGJRZSMCLZ-TXTKFYIRSA-N 440.588 4.536 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2CCC[C@@H]21 1760568189 BIQCVJPVQFTCLU-MSOLQXFVSA-N 430.643 4.877 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=Nc1cccnc1Cl 1772736647 ZALWNNMSJJMJCI-SDWZUDADSA-N 429.929 4.932 30 10 IJEE NC(=S)N/N=C\c1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)CCCC2 1857807126 VWWQBGZSZRTKPO-PPDIBHTLSA-N 443.498 4.604 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2cc(Cl)c(O)c(OC)c2)cc1 1862400065 UXLJRRPPXQVZLI-HXUWFJFHSA-N 443.927 4.995 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1 1862468578 RWQAJIHCIFKLOM-SGTLLEGYSA-N 430.298 4.532 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(OC)c(O)c2)cc1 1862531561 QHFQQAYXPRISEW-QFIPXVFZSA-N 449.528 4.803 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2cc[nH]c2c1 1862545944 MFOMICBUSHHKKE-DEOSSOPVSA-N 444.531 4.662 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1 1862614760 FSYQTQVMOZDWFA-QHCPKHFHSA-N 434.580 4.904 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2c(c1)OCCO2 1862652799 MMDAGRUNCXPWQO-XMMPIXPASA-N 443.499 4.845 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862655174 BDILISZLNSVXKA-FPTDNZKUSA-N 446.459 4.830 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)c1 1862758736 TZOYDSOJWMRWQY-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1863151341 BLLXIADQZDKNSI-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE CCCC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867734065 SABLKTNLRRFGSC-ZEQRLZLVSA-N 435.568 4.700 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)/C(C)=C/c1ccccc1 1868748115 IABIBTRETLRLFU-AXCOVZPISA-N 434.605 4.709 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2cccc(Cl)c2C)c(C(C)(C)C)c1 1870144858 NFEKPKCZECSIBK-UHFFFAOYSA-N 437.931 4.724 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)cc1 1871389267 NITZMSFKIUNNRA-BKUYFWCQSA-N 429.428 4.541 30 10 IJEE C=CCN=c1nc(Nc2ccc(O)cc2)[nH]c(N(Cc2ccccc2)Cc2ccccc2)n1 1871718115 YSAUESGSQXFBCX-UHFFFAOYSA-N 438.535 4.547 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872780236 DAUUOCKDVHFYIG-SFHVURJKSA-N 436.533 4.872 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N(CCC)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O 1873023267 VDRQDTAJYJOFJW-RBZQAINGSA-N 433.681 4.699 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(NCc3ccco3)ncnc21 1873623512 GXXWWMMDSQTIRW-UHFFFAOYSA-N 446.467 4.545 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)NCCOc3cc(C)cc(C)c3)c(=O)oc2c1 1873955017 LKJRHIOUFINORZ-UHFFFAOYSA-N 449.547 4.801 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(Cl)cc1 1874238721 HELNMKRHQHOODO-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cc(OC)ccc1OC 1874262250 PYOLOGCAOFEIOE-WYMPLXKRSA-N 448.495 4.537 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc[nH]2)cc1 1874304846 TZQUWENEBWNXAO-WGOQTCKBSA-N 431.565 4.883 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1C1CCCC1 1874454392 JLQRGOLUVCNORP-MFKUBSTISA-N 449.580 4.866 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874480737 BVQPXUAZEFVFGR-BUVRLJJBSA-N 429.634 4.716 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(F)cc1 1874489454 TUCAJAKUOCGVOT-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cccc(F)c1 1874505196 QEOYGHQIFCCIHM-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE COCc1nnc(SCc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(OC)cc1 1874506019 KGEYCOCPJGTSBN-LSHDLFTRSA-N 437.352 4.914 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(C)nnc1SCC(=O)Nc1ccc(C)cc1 1874530286 AUUBWLYVKSPZSD-AFUMVMLFSA-N 445.548 4.670 30 10 IJEE COc1cccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c1OCC(=O)OCC(C)C 1874585983 PQYQCMXBSWTLDR-ZHACJKMWSA-N 426.509 4.795 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874698443 WTBRRDATJZPOAY-NYYWCZLTSA-N 439.370 4.754 30 10 IJEE CCc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1 1875100894 MUSSUHGVBLVLOT-FTUXVVSKSA-N 429.310 4.992 30 10 IJEE Cc1sc(Br)cc1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1879730324 LRZLWJLHKXITKZ-KZULUSFZSA-N 426.185 4.517 30 10 IJEE O=C(Nc1c(F)c(F)c(F)c(F)c1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1892100373 HQFKBXSZQPFYQQ-UHFFFAOYSA-N 439.306 4.755 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(F)c(Br)c2)NCC)C1 1892684984 UCRVFXKWGQZLCX-KRWDZBQOSA-N 427.358 4.722 30 10 IJEE CCCCCCC[C@@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1917156789 XPRJLNWIPOFODV-DHIUTWEWSA-N 425.525 4.700 30 10 IJEE C=C(COCCC)[C@H](C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947484526 KWYVQRGAZLFBHR-PKTZIBPZSA-N 434.621 4.838 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1962796573 MAAIEKLOAFDMKY-SFHVURJKSA-N 437.378 4.956 30 10 IJEE C=C(Br)CN(C)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 1985080902 NLOVSTYYHHUJAC-UHFFFAOYSA-N 448.155 4.777 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 1997335242 KEQGVBSZNXKUGY-JIPZTSHUSA-N 434.541 4.748 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C(C)(C)[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2007091978 SETYIXHPWQZHPO-JZKQVHKSSA-N 447.498 4.714 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)N(C)C 2040454926 KCOFLIIZYXLSPL-UHFFFAOYSA-N 446.341 4.519 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N(CCCC)C[C@@H]2CCCN3CCCC[C@@H]23)c1C 2068810007 NPEFVXKCAXKTLP-ZCYQVOJMSA-N 428.665 4.902 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNc2ccc(C#N)c(Br)c2F)CC1 2105981500 LUYQQHHNALZGHI-XBXGTLAGSA-N 426.330 4.955 30 10 IJEE CCN(Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C)C1CCN(Cc2ccccc2)CC1 2143601187 ZQURSWAZPQOYQZ-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2145545356 YGKNPJLMLILYDW-RTBURBONSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1 2181139768 ROXCWWKAAARVCJ-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(C#N)c(Br)c1 2181140258 YIXBZSFWCMHKDJ-SUMWQHHRSA-N 436.350 4.733 30 10 IJEE C=C(c1ccccc1)[C@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2197140123 PVNLCJYBEQXDQI-UXHICEINSA-N 431.374 4.926 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2235725118 MZVBSQRNBMDGPP-RBUKOAKNSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2235731455 QLXJUXOFRHKPOD-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2235735090 YQTVCGIWOINYCT-QXAKKESOSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408220 BTRHIFFRLKBJHC-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCC1 2267013983 RVOMYDADVWZBBY-UHFFFAOYSA-N 436.405 4.811 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)c1c(F)cc(Br)cc1F 2275826219 ZNUNVLIYSFJZPK-IBGZPJMESA-N 427.241 4.643 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@]1(C)NC(=O)OC(C)(C)C 2296215950 GANQZNQMSKJZRP-JQVVWYNYSA-N 435.406 4.862 30 10 IJEE C=CCC1([C@@H](C#Cc2ccc(Br)cc2)NCC)CN(C(=O)OC(C)(C)C)C1 2296295763 HAGDKLHDAXLEBK-LJQANCHMSA-N 433.390 4.592 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2306522200 KAIDLQCINXETNM-FBROZUCGSA-N 428.573 4.601 30 10 IJEE O=C(CSc1n[nH]c(NN=CC=Cc2ccccc2)n1)Nc1cccc2ccccc12 2313601789 SEKAAFODXXPCHV-UHFFFAOYSA-N 428.521 4.800 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2c[nH]c3cc(Cl)ccc23)cc1 2321734391 OOTSNQJPUQMXQW-UHFFFAOYSA-N 438.944 4.643 30 10 IJEE CCCOC(=O)COc1c(OCC)cc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 2323791482 MFDOEQFKARYQRO-UHFFFAOYSA-N 447.871 4.875 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(F)cc2)C3=O)c1 2323900452 PEEPCJZTBNWBIJ-UHFFFAOYSA-N 432.403 4.895 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccco2)C3=O)cc1 2325423929 UBKXULPJCYGPHA-HNNXBMFYSA-N 446.459 4.569 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2325513146 KQRYSMQWHMQUMM-UHFFFAOYSA-N 440.485 4.612 30 10 IJEE OCCCSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccccc1 2325884308 QGQOCYPOFGBREN-UHFFFAOYSA-N 446.576 4.800 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(OC)c(OC)c1 2327264783 KEBLKWHSOKZCSO-UHFFFAOYSA-N 440.569 4.794 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(Br)c1 2327506925 PWFNNFQDYHYZGD-UHFFFAOYSA-N 437.750 4.877 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1Cl 2327860982 DTFXRGPKSWEBAJ-MRXNPFEDSA-N 431.993 4.596 30 10 IJEE Cc1ccc(CCCC(=O)N[C@H]2CCN[C@@H](C(=O)C=Cc3cccc(OC(C)C)c3)C2)cc1 2328263726 FWLGOHDLFGNHEX-AZGAKELHSA-N 448.607 4.624 30 10 IJEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1cccn1C 2329157064 PKGRFGHJTSFAML-UHFFFAOYSA-N 431.565 4.721 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330460807 MGVSXDXWGJUECV-UHFFFAOYSA-N 430.533 4.763 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(N(C)C)cc2)c1 2330965653 MMCKWWICMRXWAK-QFIPXVFZSA-N 435.597 4.987 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)CCCSC 2331087031 ZNDMSXSLQRMSPP-UHFFFAOYSA-N 436.476 4.927 30 10 IJEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)cc1O 2331138337 OYGSLVBZARQFDL-UHFFFAOYSA-N 436.459 4.802 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2C(C)(C)C)c1 2331382696 WLITYHXLCWUAJZ-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1c[nH]c2ccccc12 2331443425 LRKJTIFSDURWEH-UHFFFAOYSA-N 446.580 4.879 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2OC)c1 2331448975 XBLYTDVBIFCHTQ-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C[C@@H]1[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339574000 BAKRUIKEEKSDNR-IEBWSBKVSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2339592330 OMWITFVQINNKTJ-UUOWRZLLSA-N 442.365 4.505 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2358672097 RXZOMUGYJFSRSZ-WDSOQIARSA-N 435.406 4.862 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2369625109 NFMQYPVHWZSSHU-CONSUNNSSA-N 447.428 4.768 30 10 IJEE CCOc1cc(Br)cc(/C=N/N/C(=N/c2ccccc2)c2ccccn2)c1O 1958596 QSRSHVZGHQYFBC-ZVHZXABRSA-N 439.313 4.650 30 10 IJEE CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 8415430 WKYFVQQAHOZNGE-HXUWFJFHSA-N 427.426 4.707 30 10 IJEE Cc1c(/N=N/c2ccc(Br)cc2)c(O)n([C@@H](C)c2cccnc2)c(=O)c1C#N 39870450 SELGJAPSDNWOEN-UJJCNQHWSA-N 438.285 4.916 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)cc(C)c3C2=O)cc1 41291484 YNMGPIZGDOVLHN-KSEXSDGBSA-N 444.439 4.958 30 10 IJEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(OC)cc3)C4)C2=O)cc1 41587501 WEJUYUULCVQGQX-MSXFZWOLSA-N 443.499 4.981 30 10 IJEE COc1cc(OC)cc(C(=O)/N=C(\NCc2ccccn2)Nc2ccc(C(C)C)cc2)c1 46125899 HIHBJKWADGUWBY-UHFFFAOYSA-N 432.524 4.620 30 10 IJEE COc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(/C)c2ccc3ccccc3c2)n1 59021958 BMQUTIMXVYHTMV-YSMPRRRNSA-N 446.536 4.533 30 10 IJEE COc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1 101577833 CXVTZFWEJPUKAX-LRJXLTTPSA-N 431.517 4.860 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(F)cc2)cc1 102702584 SZJLOFZQILOBOZ-LAFOYAEKSA-N 438.480 4.696 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCCOC(C)C)cc1 169928093 GGSGERFQJPATOF-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE CCCOc1ccc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)c2ccccc2)cc1[N+](=O)[O-] 169931802 JLIOOTLYHDWPSD-NRFANRHFSA-N 439.537 4.792 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2O)c1 169932133 YPSDWQWFLBLIST-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCOc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1 169939062 WTOSMPIQMCXNIR-OAQYLSRUSA-N 430.957 4.700 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccncc2)c1 170014797 AWAVZDUFUGKZCL-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2c[nH]c3ccccc23)cc1C 170076002 IDODJBHLKINAFJ-MBSDFSHPSA-N 430.504 4.542 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170077324 OKCARQBIUAZORV-XMMPIXPASA-N 448.482 4.823 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 170133124 YJVLXRIQCDSWNV-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(O)cc1 170134087 VWTZYESCPRGJTA-OFNKIYASSA-N 449.547 4.755 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)ccc1Cl 170169678 IVFMYVNRTCUWFP-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 170208814 VQJLNRIZFOFMKA-QHCPKHFHSA-N 441.531 4.861 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1c[nH]c2ccccc12 170254566 STFGDIDROPAXBS-JOCHJYFZSA-N 430.460 4.529 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccco2)cc1Cl 170293182 GGEFWAJKEQEFIE-FQEVSTJZSA-N 445.899 4.861 30 10 IJEE COc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccccc2C)cc(OC)c1OC 170436891 IBFFSNSDIJZHRJ-FQEVSTJZSA-N 439.508 4.536 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2sc(C)c(C)c2c1=O 253592714 XTRHEEIUGDFAEQ-ITWBUVANSA-N 445.654 4.682 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 303839067 IRJDBZBSNSCQAD-SJORKVTESA-N 427.344 4.875 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(OC)ccc1Br)NCC 407532552 RDQPMVSDDOKWMT-MOPGFXCFSA-N 441.410 4.838 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 460946197 NNRUWIHGGGSXPS-IRLDBZIGSA-N 431.588 4.707 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 468090652 WQFVZYSUWVGKSZ-UHFFFAOYSA-N 442.479 4.516 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)n1 511740548 KFRDUISGLPXLDR-KBPBESRZSA-N 430.361 4.524 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)c1OC 526491295 LIPJEJLPECJBOF-HXUWFJFHSA-N 436.851 4.879 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2/N=C\c2c(Cl)cccc2Cl)o1 526831782 VNSGAWGOHATLIR-UYOCIXKTSA-N 439.324 4.918 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2/N=C\c2ccccc2C(F)(F)F)o1 526831943 ZADHHEHZLQBOCX-OPVMPGTRSA-N 438.431 4.630 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C2CCOCC2)CC1 549670776 ZFYQNKIPGHWRHM-UHFFFAOYSA-N 432.515 4.766 30 10 IJEE C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CN2CCCC2)CC1 555249140 FZHGWGGVGXLKFK-UHFFFAOYSA-N 430.600 4.690 30 10 IJEE CCCCCCc1ccc(S(=O)(=O)N(CCCC#N)c2ccc(CC(=O)O)cc2)cc1 586231882 XHZOIOHYRZLVGI-UHFFFAOYSA-N 442.581 4.936 30 10 IJEE C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 605645397 PIICGRNGFVTFTH-UHFFFAOYSA-N 432.973 4.760 30 10 IJEE Cc1ccc(CNc2ccc(I)c(Br)c2)cc1C#N 701828621 ZYNMQVOFAPCQRY-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(C2CC2)C(=S)N[C@@H]1c1ccc(O[C@@H](C)C#N)cc1 731433783 VCMWVVQGTSGYGF-RCDICMHDSA-N 435.524 4.510 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1cccc(C)c1C 742215380 WHZGTHJFABLWFQ-JOCHJYFZSA-N 449.576 4.686 30 10 IJEE COc1ccc(CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1C#N 758292037 YFFMZADHEGOZBE-UHFFFAOYSA-N 429.101 4.958 30 10 IJEE Cc1ccc[n+](/C(C(=S)NC23CC4CC(CC(C4)C2)C3)=C(/O)c2ccc(C#N)cc2)c1 762441537 UFAYMUDHKHTBLJ-UHFFFAOYSA-O 430.597 4.924 30 10 IJEE CC[C@@H](NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccccc1 787043990 AXFPOVPRMCXZNT-WOJBJXKFSA-N 445.544 4.899 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CCCN1C(=O)OC(C)(C)C 790663277 MHMQSIITYQUUAM-OSPHWJPCSA-N 425.529 4.865 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2csc([C@@H](C)OCC)n2)CCCN1C(=O)OC(C)(C)C 790678138 QGGHJPZZPQZVDN-ZHRRBRCNSA-N 437.606 4.545 30 10 IJEE C=CCN(C(=O)C[C@@H]1CCC(F)(F)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 798211231 DTGAXQSSQPILND-AWEZNQCLSA-N 440.537 4.558 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nn(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1=S 799940839 DNEGVCBWZZLVON-OAQYLSRUSA-N 448.640 4.945 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cnc(Cc2ccccc2F)s1 1124608317 XUMULUWLNDLZET-UHFFFAOYSA-N 441.480 4.616 30 10 IJEE CCOC(=O)c1sc(N(C(=O)c2ncc(C#N)cc2Cl)c2ccccc2)nc1C 1124771192 GQSYDPKSWSYLQI-UHFFFAOYSA-N 426.885 4.527 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1 1125614359 HGXUSKFYSXLKNX-INIZCTEOSA-N 439.512 4.801 30 10 IJEE C#CCN(C(=O)C(F)(F)c1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1126229352 NPQHYEXAGUEYOE-GOSISDBHSA-N 434.280 4.835 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1ccc(F)cc1 1129716594 IJFXGQQQFDJWKK-NFBKMPQASA-N 436.527 4.875 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1131106167 PIPZMIZBHVITEI-QPPBQGQZSA-N 440.609 4.832 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C/c1ccc(Br)cc1 1141358746 IJFKODJUGLRIPN-SQRWCISFSA-N 443.769 4.614 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 1148499390 GEKFMSLUDPTODX-UHFFFAOYSA-N 427.838 4.557 30 10 IJEE C=CCC[C@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)C(=O)OCC 1158281435 UPFGLPNLAMUXFA-SFHVURJKSA-N 445.972 4.736 30 10 IJEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1200275210 DAGKMMDZWSKQIC-FQEVSTJZSA-N 436.512 4.873 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1ccc(F)c(F)c1 1234556001 NVHGHVXGRVEADI-MJGOQNOKSA-N 448.819 4.985 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1270456505 CQCOOWXIXJCNPF-NJNPRVFISA-N 449.389 4.767 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(CCOC)CCCC1 1286275636 OQQULXCVPZYJQR-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC(F)(F)F)CC1 1286346317 YIRDRMPLBNNIMS-UHFFFAOYSA-N 436.478 4.545 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286356945 OYLLBLBIRLVAIJ-DHIUTWEWSA-N 436.600 4.716 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@@H]1CC 1286405931 NJXPTQOTKDVHKC-ICSRJNTNSA-N 439.401 4.915 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCO[C@H]1CCCC[C@@H]1C 1286433817 LYIYYNGOKRAKHM-ZCYQVOJMSA-N 448.611 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(CC)(CC)SC 1286439293 NTTCYXSBHSQUML-UHFFFAOYSA-N 446.624 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCNC(C)=O 1286570403 YEBFBGFFFCAHBT-UHFFFAOYSA-N 431.993 4.742 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCN(C(C)(C)C)CC1 1286589274 XCIYJUYJZLTNLS-UHFFFAOYSA-N 441.620 4.628 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1286678725 CNVZFHYSHCZRRZ-SFTDATJTSA-N 426.630 4.864 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1286679087 KALGVBSOBUZYBO-HXUWFJFHSA-N 447.974 4.723 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCOC(C)(C)C 1286698881 JDSPTSFLNOXEMB-UHFFFAOYSA-N 449.640 4.610 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=C)Br 1286719153 JOAIOHAMUMADSF-UHFFFAOYSA-N 426.156 4.547 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCC1CCOCC1 1286748611 XPQLNOUKZPMTDJ-UHFFFAOYSA-N 435.547 4.797 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1286757842 XGPGQKWEDJVQRE-DNQXCXABSA-N 435.616 4.844 30 10 IJEE C=CCCC(=O)Nc1cc(Br)ccc1CN1CCN(Cc2ccccc2)CC1 1287618065 GIRUOHVBFVCPBI-UHFFFAOYSA-N 442.401 4.672 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCOC[C@H]2C)cc1 1287629736 DSNVTXBTHNYORY-KCZVDYSFSA-N 439.604 4.781 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1 1293331536 HQQFLMSHBGRZBZ-YTQUADARSA-N 429.515 4.789 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOC(F)(F)F 1300284166 PZZFARRMRMTLDS-CQSZACIVSA-N 426.508 4.660 30 10 IJEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1300358576 YXCSMYRCHOLVJC-UHFFFAOYSA-N 443.473 4.578 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CC(C)(C)C(C)C 1300572213 RKIBGAYPVZFBAJ-UHFFFAOYSA-N 427.390 4.853 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1300765727 JGUVAFQBFNJETR-PMACEKPBSA-N 449.089 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C(C)C)N(CC=C)CC=C 1300798660 QDWIWDWOHQELDQ-SHQCIBLASA-N 442.611 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Oc2ccccc2)nc1 1300914573 DULLQPNTVQAUDJ-OAQYLSRUSA-N 433.556 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1300918846 KMKCHVNTBCAGNO-UHFFFAOYSA-N 448.615 4.544 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)cc2F)CC1 1301070551 OXMHMZFNWIZTET-UHFFFAOYSA-N 448.315 4.529 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nccc(C(F)F)n2)CC1 1301111854 HUCUGYWISYLZDX-UHFFFAOYSA-N 430.890 4.777 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCCN(C(C)C)C(C)C)CC1 1301119431 IQTNFMIASZGMBB-UHFFFAOYSA-N 425.621 4.865 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301208130 OKYSSXFBLSBAFJ-QFIPXVFZSA-N 449.643 4.951 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C2CCCC2)CC1 1301241044 LXQJTPTXRAPEQG-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CC1(COC)CCCCC1 1301351048 HMHXSGJPODKLPV-OAQYLSRUSA-N 442.579 4.711 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1nc(C)c(C)s1 1301351604 WMARIAQRQJCAHZ-LJQANCHMSA-N 441.576 4.625 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[C@@]1(C)C2)C(C)C 1301368171 YNJSATAQNLEHBC-HNVPCBRESA-N 436.648 4.751 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1301391762 YJNNFPLIFQQCGE-GOSISDBHSA-N 447.370 4.701 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@H]1C 1303908351 BVZQENPUYIMFDJ-SVQXRNPESA-N 431.943 4.950 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)C[C@@H]1C 1305149706 FHDLYCBOJIRJKA-KBPBESRZSA-N 442.386 4.781 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC2(Cc3ccc(F)cc3Cl)CCOCC2)cc1 1309542279 XJWVNKXMXYJJIS-UHFFFAOYSA-N 437.964 4.668 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccn(-c2ccccc2)n1 1310862607 OZIQTPDKLZLLHC-UHFFFAOYSA-N 427.302 4.521 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCC)C3CCN(C(=O)OC(C)(C)C)CC3)cc21 1311251767 HLSFWCULBMNANN-UHFFFAOYSA-N 441.576 4.866 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)C1 1337716654 QYSDHCWXVGHKPX-MRXNPFEDSA-N 425.579 4.876 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@]1(C)Cc2ccc(C)cc2C(=O)O1 1357804117 RBLXFWMSUAPNTF-JOCHJYFZSA-N 446.316 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1c(C)noc1C 1358871973 MRDCSKUTPNDOEI-LLGFUMIMSA-N 435.572 4.901 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1359108810 DOQJVJVWNAUWDF-OALUTQOASA-N 446.039 4.889 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccc(F)cc1 1359157916 XZPXYTRAHYDXLE-WBMJQRKESA-N 438.841 4.830 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(O)cc2)CC1 1359161609 KLHDAQLGQLSJKU-UHFFFAOYSA-N 431.359 4.679 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)C2CC2)CC1 1359173781 OAVCBRCXYBZOAG-HJPURHCSSA-N 430.980 4.635 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1359175473 MWPAVXGBOVDPIX-QHCPKHFHSA-N 444.583 4.895 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1OCCC1(C)C 1359268553 UNMYRLSRJXAUDY-SFHVURJKSA-N 431.378 4.701 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1 1359277107 BZLREKOCPZULOS-GOSISDBHSA-N 446.473 4.677 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@H](O)C2)c1 1361122192 FHPDZXSKUCDYMQ-NJYVYQBISA-N 439.604 4.578 30 10 IJEE C=CCSCCNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 1435853582 WEUZKLOWALPEJI-UHFFFAOYSA-N 428.355 4.708 30 10 IJEE C=CCN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)OCC 1435899458 HQKBPLFXNKWQKO-HXUWFJFHSA-N 436.335 4.561 30 10 IJEE N#Cc1cccc(NC(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)c1Br 1436895465 ATSFKHXBZNNSFI-CWRNSKLLSA-N 432.115 4.608 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 1438258391 KLWKTODBFQUFGX-UHFFFAOYSA-N 445.283 4.771 30 10 IJEE C=CC(=O)N1CCC(C(=O)Nc2cccc(C#Cc3cccs3)c2)(c2ccccc2)CC1 1440984619 OBIGRNUXDAHLKA-UHFFFAOYSA-N 440.568 4.833 30 10 IJEE COC(=O)CC[C@H](CC1CCCCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 1451726119 CILWVJDLUWIWSX-HXUWFJFHSA-N 438.524 4.752 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC(C)C)[C@H](C)c2ccccc2Cl)c1 1452416133 NTQQEWZDDPMLIH-GOSISDBHSA-N 431.985 4.996 30 10 IJEE N#Cc1ccsc1N1CC[C@@H](Sc2nc3c(Br)cccc3s2)C1=O 1459061646 HKLFKCSZZVXPTK-GFCCVEGCSA-N 436.381 4.890 30 10 IJEE C#CCN(Cc1ccc(C)c(C(=O)OC)c1)[C@H]1CCOc2ccc(Br)cc21 1459513513 PBHYJVKRDVXSCZ-FQEVSTJZSA-N 428.326 4.503 30 10 IJEE C#CCN(CCOc1ccccc1OCC)[C@H]1CCOc2ccc(Br)cc21 1459520138 XESRLSSHXZOLAN-IBGZPJMESA-N 430.342 4.686 30 10 IJEE N#Cc1cccc(C2(C(=O)Nc3nnc(Cc4ccc(C(F)(F)F)cc4)s3)CC2)c1 1460918878 BPXPNTWTOCLQKR-UHFFFAOYSA-N 428.439 4.690 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1461763434 AYQKTHAUCXLXLK-QGZVFWFLSA-N 427.342 4.669 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)OC)c(F)cc1Br)c1ccc(Cl)cc1 1465726744 HEPOBSHCOLIGHS-OAHLLOKOSA-N 439.668 4.524 30 10 IJEE C=C[C@@H](COC)NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 1466230664 XXIKNWQXAQORKG-RYUDHWBXSA-N 438.290 4.828 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1466916507 CJCJMNPFHKTJME-UHFFFAOYSA-N 431.323 4.783 30 10 IJEE C#CCN(C(=O)Nc1ccc2ccccc2n1)[C@@H]1CCOc2ccc(Br)cc21 1467108506 LRVANHUIKIITCJ-LJQANCHMSA-N 436.309 4.988 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCOc2ccc(Br)cc21 1469960566 QHBABMONDZJHHK-RLLQIKCJSA-N 443.316 4.613 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1496695566 HIBYTLYXHNXDQT-JFIYKMOQSA-N 442.995 4.707 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(CC)(CC)OC 1507540286 BBEWLUQMRYJRBG-LJQANCHMSA-N 426.605 4.818 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1507555080 GAAJQTUHPCRWAK-HZPDHXFCSA-N 431.353 4.885 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1507574799 BUCXTQKBJXBOSG-UHFFFAOYSA-N 426.008 4.714 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1507595378 PAEMWDMTBOUBHH-FQEVSTJZSA-N 435.597 4.728 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(F)(F)c1ccccc1 1507607309 PQSGJFAPULTNSV-UHFFFAOYSA-N 437.313 4.631 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1Cc1csc(-c2ccco2)n1 1507642850 NKOLFMGXLMHVBX-OAQYLSRUSA-N 441.560 4.658 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1507663578 FYPFCXVVPCOYBA-VSPOGIRPSA-N 444.623 4.647 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1nccs1 1507680661 KJFXNWJGSMOHTC-INIZCTEOSA-N 425.627 4.995 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCSC1 1507693784 GQSFVXFWXIHNNK-IBGZPJMESA-N 426.630 4.757 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC 1507748515 ODFYHFOWKHFHRA-YJBOKZPZSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCN(CC)C1CC1 1507770370 SOYQODHGVGOFTF-HHHXNRCGSA-N 449.643 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1SCCc2ccccc21 1507807412 NFVFDIKISGAAKG-OAQYLSRUSA-N 441.645 4.630 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1csc(CC)n1 1507839383 DFDBDHVUBWUTDI-UHFFFAOYSA-N 448.596 4.741 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1507854800 OPECWENQPGEYLS-HDICACEKSA-N 445.558 4.637 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1507905309 SYQMYDOWHOCLKJ-PMACEKPBSA-N 427.662 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1507919208 MEYWRBCLFZWMRF-FGZHOGPDSA-N 438.616 4.939 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1507935789 UXTOCAIQTFHXLW-UHFFFAOYSA-N 425.577 4.592 30 10 IJEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1507985828 OJZVMQHHHWEHBV-SAABIXHNSA-N 441.988 4.664 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1csc(CC)n1 1508007843 GWDXNPHQGDRFRC-HXUWFJFHSA-N 441.576 4.919 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCc2c(F)cc(F)cc2C1)C(C)C 1508012232 ZNIPNFVJCVMUDK-QHCPKHFHSA-N 443.586 4.941 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccco2)C1 1508149482 AIJHPTPRSAWUNQ-CQSZACIVSA-N 448.390 4.542 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)OC)CC1 1515210468 DKPBHDFHYCOYHQ-QFIPXVFZSA-N 439.604 4.807 30 10 IJEE Cn1ccc(Nc2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 1517387979 BOVBZERGRLTJSC-IRXDYDNUSA-N 429.450 4.663 30 10 IJEE C#CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1 1521901796 RSHKLLDGAICEBD-UHFFFAOYSA-N 440.565 4.704 30 10 IJEE C#Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 1522546995 IONXWFHFFZECCX-WIOPSUGQSA-N 428.557 4.839 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)nc(-c2ccco2)nc1SC)c1ccc(Br)cc1 1525054232 JSWZGWLXHWCHQV-OAHLLOKOSA-N 442.338 4.634 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C2CC2)ccc1Cl 1527889107 ORTJEGQTPJYHHN-AWEZNQCLSA-N 437.920 4.816 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccc(SC)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1528507884 LIBZSIGYZCQZGO-QHCPKHFHSA-N 434.602 4.721 30 10 IJEE C#CCN(C(=O)Cn1ccc2ccc(F)cc21)[C@H]1CCOc2ccc(Br)cc21 1531552991 IVBZHWWKJAIXRE-IBGZPJMESA-N 441.300 4.529 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)OCC 1538478843 OYOHVSACBCGYFM-LJQANCHMSA-N 436.961 4.759 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(F)ccc1F 1538984294 FUVXIHMHEAXIBV-LLVKDONJSA-N 437.313 4.554 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCCN(C2CCCC2)CC1 1539078916 IFMSDYBWTBIACS-UHFFFAOYSA-N 433.644 4.712 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1539079082 OPEOQGSCFHOZKI-UHFFFAOYSA-N 446.599 4.569 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCC[C@@H]1C 1539272907 GYBMKEAQCRYZJK-FPOVZHCZSA-N 439.003 4.761 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@](C)(CC)O1 1539350955 GUTMTSBAFVIGQW-LIRRHRJNSA-N 437.407 4.576 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(C)C)CC1 1539619729 HIRGKGVIQYPVOL-IFMALSPDSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1539631158 JLZBMBQYKANKKP-QTEQDKRBSA-N 444.645 4.705 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1)c1ccccc1 1539765100 GEMWKYRWOWGFRR-HSZRJFAPSA-N 435.616 4.782 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CC(F)(F)C1 1539944971 IXBRRQVZFSUSHS-UHFFFAOYSA-N 442.514 4.822 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C2CCCC2)CC1 1539981447 GYIWWZOARYKDOY-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC1CCC(OC)CC1 1540120616 FLPVKVCGGKMWFG-UHFFFAOYSA-N 442.567 4.610 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N1CCC[C@@H](C)C1 1540158460 IGQANBOUGCGKAK-RTBURBONSA-N 444.023 4.906 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCOC[C@H]1C 1540194699 YBVZCTUTNKYGLF-HZPDHXFCSA-N 439.387 4.563 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 1540915342 JZLZIBNWNRACAQ-IBGZPJMESA-N 449.665 4.692 30 10 IJEE C=CC1(CC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)CN(C(=O)OC(C)(C)C)C1 1543564526 IHEVZZBXAJABBR-QFIPXVFZSA-N 435.568 4.603 30 10 IJEE N#Cc1cc(NC[C@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)ncn1 1559070346 BWUAHBSICDWQRU-GOSISDBHSA-N 430.364 4.928 30 10 IJEE C=CCn1c(SCC(=O)c2cccnc2OC)nc2sc(-c3ccccc3)cc2c1=O 1559352349 KRVIUYCJDRUYIH-UHFFFAOYSA-N 449.557 4.690 30 10 IJEE CC(C)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(F)cc1Cl 1561256789 FIWRXATUJBWACM-UHFFFAOYSA-N 434.842 4.626 30 10 IJEE C=CCN(C(=O)c1ccc(Nc2ccccc2C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1583031178 MUXIBFGCTDAHLL-FQEVSTJZSA-N 426.582 4.543 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2cccc(C)c2Br)nnc1-c1ccco1 1583288117 MURFYJYCUARNOF-UHFFFAOYSA-N 448.342 4.883 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 1583820496 DKUFCOBCFXHYBM-UHFFFAOYSA-N 430.504 4.734 30 10 IJEE C=C[C@H](C(=O)N[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[C@@H](C)CC)c1ccccc1 1585704625 JLAWZPHCIXONOO-MZBJOSPHSA-N 432.608 4.968 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 1586104524 VTCKPPZAIHDQMM-HNNXBMFYSA-N 430.455 4.643 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1587823006 IZWGHLSELPHPQH-VXGBXAGGSA-N 447.324 4.817 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC(F)(F)F)CC1 1587831137 JHEJXNQOVRZRST-UHFFFAOYSA-N 436.478 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCC[C@H]1CCCCO1 1588189836 SIPAWANAOFKZGV-JOCHJYFZSA-N 441.579 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCOCC(F)F 1589177541 KOPPWJPLHNOGLI-LJQANCHMSA-N 429.298 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1CCc1cc(C(F)(F)F)ccn1 1589192155 IQUZDUVNNATXIE-HSZRJFAPSA-N 439.485 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCC(OC)CC1 1589625628 KCQOKRVTXSWLOS-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1593695535 FWRBWSHLNCFDCD-PWIZWCRZSA-N 430.980 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCc2ccccc21 1594448624 JXEVOWCRVVPHQL-HXUWFJFHSA-N 430.556 4.651 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1594559885 SNSSXEYYKSNNCN-PXDATVDWSA-N 439.604 4.559 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1594614800 AMDNLPSBPVLOLT-DENIHFKCSA-N 426.561 4.542 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@@](C)(O)C(C)C)c1C 1611822146 DLAAWTKXUHRWID-CJFMBICVSA-N 439.604 4.572 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)cc2n1 1617511110 FHUHFMQOTUCDMK-NWMLYGLHSA-N 448.954 4.909 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 1618708146 NIJLPUXQDMBEKV-GOSISDBHSA-N 430.504 4.556 30 10 IJEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](SC)C(C)(C)C)c1 1619345127 GRYUZWOADCHHBW-FQEVSTJZSA-N 427.618 4.861 30 10 IJEE COCCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1619765358 FHTBOXTWTJIJKD-VWLOTQADSA-N 439.604 4.667 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)cc1 1622627107 BMHMVEKEHHXIPS-FQEVSTJZSA-N 434.399 4.964 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3s2)CC1 1624572738 HCOGVXOPCFXQLA-SFHVURJKSA-N 429.467 4.943 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sccc2[C@H]1c1cccs1 1624638979 GPFCLWKIEJMDHK-LPHOPBHVSA-N 430.595 4.590 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccc(F)cc1Br)[C@@H]1CCCc2ccccc21 1626711320 XGQXJSYHTXCVNI-MGPUTAFESA-N 430.317 4.895 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 1628396863 MSLFDAPLFNWALP-OAHLLOKOSA-N 445.541 4.727 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1Br 1628790149 BRWMULJOBGDDKZ-NRFANRHFSA-N 438.325 4.935 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H](OCC)C12CCC2 1631922954 ARGFXETUSAYTGQ-QZTJIDSGSA-N 425.342 4.634 30 10 IJEE C=CCOc1ccc(C(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1OC 1632326446 PAUSFSFOXHFDCM-UHFFFAOYSA-N 444.247 4.971 30 10 IJEE C#CCC[C@@H](O)CNC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1 1635011371 FJKUPXQZFAHBAR-YMLINEMLSA-N 431.557 4.758 30 10 IJEE CCCN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCc2ccccc2C1 1636586057 GTHIZDREOIAAEP-AREMUKBSSA-N 430.596 4.502 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C 1636944488 WNVJZCVQALXEBF-GOSISDBHSA-N 439.364 4.572 30 10 IJEE COC(=O)C1(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)CCOCC1 1640930390 BLIPGIWXYXISGW-UHFFFAOYSA-N 440.443 4.602 30 10 IJEE C=CCn1c(SCc2ccn(-c3ccccc3F)n2)nc2cc(Cl)ccc2c1=O 1643357687 RZBQKMIVFXTUMS-UHFFFAOYSA-N 426.904 4.853 30 10 IJEE N#Cc1cc(Br)ccc1CN1CCO[C@H](c2cccc(Br)c2)C1 1644509713 CSKHVMPOIVPXMT-SFHVURJKSA-N 436.147 4.657 30 10 IJEE C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OCC(F)(F)F)cc1 1653993498 GPHIFSYRMPUGLL-ZDUSSCGKSA-N 437.487 4.729 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c3cccnc23)nnc1-c1ccccc1OC 1656025149 CAPUUMYXJZLXMA-UHFFFAOYSA-N 446.532 4.767 30 10 IJEE C=CCO[C@@H]1CCN(CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)C1 1657912158 ITAFOMIKUCZCOP-XMMPIXPASA-N 444.579 4.878 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c(F)c1 1662032408 DTYPYAGHLLEAIY-UHFFFAOYSA-N 426.435 4.850 30 10 IJEE C=C(C)C[C@H](NCc1cn(-c2ccc(Br)cc2)nc1C(C)C)C(=O)OCC 1665546880 SWOZWTPVYAHYJL-IBGZPJMESA-N 434.378 4.746 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCCN(CC4CCCCC4)CC3)cc2)nc1 1666473556 ICTBDMOWKCYBHE-UHFFFAOYSA-N 433.556 4.865 30 10 IJEE Cc1cc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c(C#N)cc1N(C)C 1670675219 CDPVPGUWEHSECC-JOCHJYFZSA-N 434.565 4.762 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c(Cl)c1 1674763920 IKYMCPDARVKLMS-KRWDZBQOSA-N 436.726 4.945 30 10 IJEE C#C[C@H](NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 1680314067 HQYAZDLBJQBMIX-FCHUYYIVSA-N 434.337 4.802 30 10 IJEE C#C[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccc(F)cc1 1682348201 CACRHIHSJDUKML-RXVVDRJESA-N 437.515 4.728 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2nc(C)c(C(=O)OCC)s2)CC1)c1ccc(Cl)cc1 1686918177 FXCFBAOSBHKSOU-GOSISDBHSA-N 445.972 4.545 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCC[C@H](C)C1 1689831521 MESXKIAWPABNHJ-XZOQPEGZSA-N 433.644 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(F)cc1F 1689835048 FHTDTTDBWHZFFW-GJZGRUSLSA-N 426.536 4.916 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC(F)(F)C1 1690055240 QZPHVCMYCMVDQO-UHFFFAOYSA-N 434.943 4.732 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C1CC1 1690252149 AKIWDPUTLNRJQT-JLTOFOAXSA-N 437.371 4.744 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[C@@H](OC)C(F)(F)F)CC1 1690369735 VLQDBBVYJQEWGB-LJQANCHMSA-N 431.462 4.617 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C)(C)CC1 1690454197 XOVPFMGYKMGNCE-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690467578 BNZBFAJWSDBCLN-KNQAVFIVSA-N 426.605 4.718 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN1CCC 1690533751 UVHQIZCCHLCWMC-NRFANRHFSA-N 425.621 4.651 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCN(C)C1CCCC1)C1CC1 1690539776 LTLPSUUPFFPSAI-UHFFFAOYSA-N 444.421 4.737 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1Cc1ccc(F)cn1 1690556328 UHMBIOCGLPQIBB-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1CC1(SC)CCN(C)CC1 1690571839 KNBYVVRWGZNJRC-UHFFFAOYSA-N 445.652 4.636 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1CCn1cc(Cl)cn1 1690580040 XYFWRYIRJOGTTH-UHFFFAOYSA-N 445.017 4.735 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)N(C)C1CC1 1690585960 BFOCBSHYSUCMCD-QGZVFWFLSA-N 444.421 4.677 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC2CCCC2)nc1 1690592828 JKYWNIOHFVLPFJ-UHFFFAOYSA-N 430.556 4.592 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(C)(C)C2CC2)C1 1690707288 RZQZKMUDKMJSQQ-GOSISDBHSA-N 430.543 4.755 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(F)F)C1 1690737583 QHMZKZWDGWZKEX-QGZVFWFLSA-N 429.540 4.894 30 10 IJEE CC(C)SCCn1c(C2CCCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1692627747 DJHDFAVPWSWUNR-UHFFFAOYSA-N 438.645 4.666 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CCOCC2)c1C 1692893843 BJWGPJRDEWTOBW-CJFMBICVSA-N 437.588 4.592 30 10 IJEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)Cc2cccs2)CC1 1693725075 AVOIYLRIPIDJBS-LJQANCHMSA-N 435.597 4.905 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)CCS1 1694500064 BWDWDCDIVJBZIN-NQIIRXRSSA-N 439.629 4.601 30 10 IJEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1698324230 BJXSRARBPVACNI-UHFFFAOYSA-N 440.661 4.517 30 10 IJEE CS[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1)C(C)(C)C 1698354704 CYIARDGSNCGZEY-CEXWTWQISA-N 433.666 4.714 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(C)(C)C)cs1 1705591522 RGMKGGALPWMIIO-UHFFFAOYSA-N 443.576 4.957 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCCOc1ccc(F)cc1 1705699862 MMGFHIOWCDRZFI-OFNKIYASSA-N 442.579 4.961 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(Oc3ccc(C)cc3)CC2)nnc1C(C)(C)C 1705707476 LQZGEDFODZWLBT-REWPJTCUSA-N 438.616 4.913 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(OC)cc1 1705722593 TXPZMXWFOXDBRG-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@H](C(C)C)C1 1705826300 ARONEXVDDNBPRD-NRFANRHFSA-N 426.586 4.862 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COC 1705863576 XNVUYRWYMIXEEB-CEMLEFRQSA-N 426.605 4.672 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1705879690 IICUAUXWFSCVFH-KSEOMHKRSA-N 442.604 4.799 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)Sc2ccccc2)C1 1705927193 SIDYZRAHSPFXIM-CTNGQTDRSA-N 426.630 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCOCCCC 1722471478 YMGMYLZHDBZQGC-JOCHJYFZSA-N 445.405 4.907 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CC)C1 1722483727 CKVHUTZSSFDPLT-AWEZNQCLSA-N 425.321 4.682 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)Cc1cccc(Br)c1 1722532088 BOKKEMYRKWPFAY-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnc(C)s2)CC1 1722574276 JEGGJRHTWRUTOC-OAHLLOKOSA-N 427.549 4.773 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CCC[C@H](C)C2)CC1 1722575823 YPDIFVYJZDVFDY-KRWDZBQOSA-N 431.987 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722588427 SKHCBQVIKNGFFW-NRFANRHFSA-N 430.559 4.999 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C)c1ccccc1 1722597365 SMLJOOLNABTLNX-NHCUHLMSSA-N 433.604 4.697 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cc(C)on1 1722597389 LISZFTYDGOIDSJ-UHFFFAOYSA-N 430.350 4.997 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H]1C 1722603447 JGZSSZZXRWSOKH-OALUTQOASA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1722605383 FVTPSNWSYFCOAI-JOCHJYFZSA-N 437.613 4.876 30 10 IJEE C=CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1722614306 JCGCDGGTVRFXOD-PMACEKPBSA-N 448.615 4.914 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCn2ccnc2C1 1722668505 ZOGJRLDNJBNDAM-YADHBBJMSA-N 446.599 4.672 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@H](C)C2)C1 1722716944 AGDHVOOPMZCGKQ-ZRCGQRJVSA-N 438.616 4.839 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1722740265 SDNZPRYNNPOAKE-HSZRJFAPSA-N 444.670 4.805 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(F)(F)F)cs1 1740536900 OKFJBIPHAPCGAU-LLVKDONJSA-N 425.867 4.580 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@@](C)=O)CCC1 1740538997 QTSBKXYQBOGGMZ-IZPCHGGPSA-N 447.029 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCc1nccs1 1740728168 PFFSZXOVQIIZFZ-OAQYLSRUSA-N 429.952 4.819 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1740761116 UJMVNVKRSYRFDR-ZISUOPPCSA-N 442.579 4.563 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1740761435 NVWDXUNUHYVCDI-YAKVFXAGSA-N 446.542 4.977 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@](C)(O)C(C)C)CC1 1740827912 OOKRFKWWLLXFIA-VWLOTQADSA-N 426.605 4.718 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2csc(C(C)C)n2)CC1 1740829019 HKKJFNMGYRKBBS-UHFFFAOYSA-N 441.576 4.975 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CCCCC2)CC1 1740835837 PHCDVUILVKGTGA-UHFFFAOYSA-N 440.588 4.954 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCO[C@H]2CCCC[C@H]2C)CC1 1740841827 BZSDRSQBBLXAFM-KNQAVFIVSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2CCOC2)CC1 1740843979 AOILBMXDFUYACU-FQEVSTJZSA-N 439.560 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(Cl)cccc1OC 1740928829 WUMIVIUQNPCMTB-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCO[C@H]2CCCC[C@@H]2C)C1 1740982051 SECAAPFIAASIAR-QTJGBDASSA-N 438.616 4.554 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(F)F)C1 1741003780 DXWXDUMUTQBDBP-MRXNPFEDSA-N 431.556 4.751 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1741005423 IVACAZLNGAQMFL-SFHVURJKSA-N 436.572 4.875 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[C@H]2C)cc1Br 1748606648 AUAJDNLVXSYYFR-BFYDXBDKSA-N 446.393 4.748 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)C(C)C 1748833217 MLBWXDAOFGTXNY-UHFFFAOYSA-N 427.390 4.771 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1nnc(C(C)(C)C)s1 1748945724 YJOBYXWOYUFTDQ-UHFFFAOYSA-N 438.576 4.522 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 1749021789 AJVBEZDXPOJWBF-ROUUACIJSA-N 430.593 4.796 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1749181900 XRUHPDDCLRMMGM-UHFFFAOYSA-N 442.848 4.702 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1749334782 MOTMBXCWKKCZRW-UHFFFAOYSA-N 442.567 4.840 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1749341524 HFTKDFVABMDQGC-IBGZPJMESA-N 435.494 4.579 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1749359768 PRFWWXJBBXFIIA-UHFFFAOYSA-N 449.559 4.802 30 10 IJEE COCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1749404477 DYCNVVKEEUZFIL-FDDCHVKYSA-N 441.551 4.504 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCOC1 1749587154 JYBSMRBBNAGJHU-SFHVURJKSA-N 426.948 4.853 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCc2ccc(Cl)c(OC)c2)C1 1749709903 TYSOTIBTAGWASB-IBGZPJMESA-N 430.980 4.622 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)C1 1750065943 DDUSHIIGPUXFNA-IRXDYDNUSA-N 449.430 4.968 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1760118597 IWVIEFKRDIOZFQ-JXQFQVJHSA-N 433.600 4.649 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCOC(C)(C)C 1760228828 TYEILWPVJNNHKY-UHFFFAOYSA-N 439.785 4.636 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CCCCC2)C1 1760360277 XKYUWVIMRSQWJW-UHFFFAOYSA-N 438.616 4.825 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1760419893 FCHFOPMWRCWZOH-ROUUACIJSA-N 441.542 4.990 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cccc(C(N)=O)c1 1760434148 RXIYGFQIQVDDJZ-KRWDZBQOSA-N 449.624 4.833 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]2CCC[C@@H]21)C(C)C 1760487850 FVXZFOZDBGOQFU-OEMFJLHTSA-N 434.632 4.808 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCN(CC)C1 1760490973 OVXSGAOCRMPJHT-LJQANCHMSA-N 425.646 4.796 30 10 IJEE CC(C)(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 1760811564 BLSKZTCCVRLFTB-JTUHZDRVSA-N 445.608 4.678 30 10 IJEE CCCN1C(=O)/C(=C\c2ccccc2O[C@@H](CC)C(=O)O)SC1=Nc1nc(C)cs1 1772761446 PHLWRLSLESKOIB-BQIJVHSCSA-N 445.566 4.708 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1ccc(C(=O)O)cc1 1772762874 YRLCRZKFUJOYOZ-CLEIAUBXSA-N 431.311 4.771 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CCCc3ccccc3)nc12 1859656223 WCZBKIOZLMJVSH-UHFFFAOYSA-N 425.492 4.571 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(OCC)c(OCC)c2)cc1OCC 1860728502 DHLMTWSCEQFLCZ-FMIVXFBMSA-N 427.497 4.502 30 10 IJEE N#Cc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 1860890157 QCWUSQALUGUFBL-HSZRJFAPSA-N 442.906 4.673 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc(Cl)s1 1862247605 VMBJSFUNXJDHQV-KRWDZBQOSA-N 435.014 4.634 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2cc[nH]c2c1 1862432936 QGTDEYUPNNECCX-NRFANRHFSA-N 438.911 4.825 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCCC2)cc1O 1862436293 PSQPXHZFAFNKHS-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)c1 1862557151 JGMDOMIXUXTDRE-QMHKHESXSA-N 428.488 4.617 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862557988 OIQHNYFKDLQBHR-JOCHJYFZSA-N 449.507 4.868 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)cc1 1862613233 GDJANXQTQGLFLC-QFIPXVFZSA-N 437.536 4.693 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862687660 NRPXQJQUZXZCTR-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1C(=O)O 1862715658 XHSGBFODKNKVSP-JOCHJYFZSA-N 429.472 4.916 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 1862735389 JMZNAWUQSVALCL-OAQYLSRUSA-N 436.464 4.602 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(C[C@H]2CCCO2)C1=O 1863760995 YZKTUOPLJMUMRL-HXUWFJFHSA-N 442.600 4.684 30 10 IJEE CCCCCCCCNC1=C(c2cccs2)C(=O)N(Cc2ccccc2OC)C1=O 1863799165 RFXOMJKDMBSECZ-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 1866699765 GDQQHOSUJCVGSO-DQEYMECFSA-N 440.547 4.593 30 10 IJEE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867132136 OHHLHSBXIHHPHU-XUZZJYLKSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@H](C)N(CCCOC)[C@@H](C)C2)nc(-c2ccc(C)cc2)n1 1869164951 CLFBIGVKUACZKK-GOTSBHOMSA-N 449.643 4.566 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1C 1870095987 LDWCMWNGDVTUBT-UHFFFAOYSA-N 433.574 4.502 30 10 IJEE Cc1ccccc1OCCCC(=O)Nc1c(C#N)nnn1-c1ccc(Cl)c(Cl)c1 1870144964 PZRNRWXUGWCSGZ-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(OCC(C)C)cc2)c(C)c1 1870154079 KVQJEWFCLDOVIY-UHFFFAOYSA-N 446.555 4.581 30 10 IJEE C=CCOc1cn(CCCOC)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870384146 SXHYKPXGWZQHOS-UHFFFAOYSA-N 432.564 4.652 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN1CCc2ccccc2C1 1870775929 DCJDKFZRKMEVAX-UHFFFAOYSA-N 444.575 4.749 30 10 IJEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870812731 YJVSRAXVOPDLGV-UHFFFAOYSA-N 437.927 4.685 30 10 IJEE Cc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCCCO 1871255270 SQFVDBNOTZIQJT-UHFFFAOYSA-N 445.563 4.772 30 10 IJEE CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cc(Br)ccc1OC)C3=O 1871350803 VREJRRDUWWLSIC-NVMNQCDNSA-N 430.298 4.554 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871383001 AHCPOEJVVNJEHI-GRSHGNNSSA-N 436.807 4.787 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871400289 UKJDPPPVRWBXSV-ODLFYWEKSA-N 431.282 4.787 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1c(F)cccc1Cl)C2=O 1871433751 PREGDJPYXLBEKX-GQFJFNLSSA-N 448.874 4.751 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871452187 IZTNCHJICMCLNE-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872110297 HHQGFURGZVWOBN-WZONZLPQSA-N 439.581 4.788 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872783489 AUHPKEHFKPQMLL-SSGOSMAHSA-N 448.500 4.504 30 10 IJEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccncc2)c1 1874353868 GHSZFTBBFWWDEA-CVKSISIWSA-N 429.549 4.873 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1/N=C/c1cccc(OC)c1OCC 1874354866 FQYICYZOFGUTRV-BUVRLJJBSA-N 438.553 4.563 30 10 IJEE O=[N+]([O-])c1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 1874445624 GVYYIEXYDMJVLD-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1ccccc1OC 1874477982 NASJLEVKAUPFAT-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2F)c1C 1874488689 DYYRQQRIKYKXII-DHRITJCHSA-N 439.560 4.846 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc(OCC)c1 1874506608 LQMQAOPYHQFOQB-HYARGMPZSA-N 425.514 4.712 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(C)c3)nnc2C2CC2)cc(OC)c1OC 1874518205 HSCWDQYDUUIZDY-ZMOGYAJESA-N 438.553 4.664 30 10 IJEE CCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874527544 TVJQXBGRMWPCAG-FSJBWODESA-N 446.960 4.694 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2-c2ccccc2)cc(OC)c1OCc1ccccc1 1874559034 QULUYCXXWJCUAI-MFKUBSTISA-N 446.532 4.712 30 10 IJEE CCCc1ccc(OCc2nnc(S)n2/N=C/c2ccc(OC(C)C)c(OC)c2)cc1 1874566939 WAVYCDFIQRHTPS-ZVHZXABRSA-N 440.569 4.776 30 10 IJEE CCN(CC)C(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)cc1 1874579641 ZLCHWZDSWQBXJU-ZRDIBKRKSA-N 430.342 4.901 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Br)c2)cc1 1874609282 IRIYXYJKCHJELT-ONNFQVAWSA-N 447.325 4.932 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)c(F)c2)CSc2nnc(COC)n21 1874868498 ANGIDIBANRVYRI-SFHVURJKSA-N 438.544 4.765 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccccc1F 1875116079 KDCYOEURIUXSPQ-WUXMJOGZSA-N 435.407 4.787 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNc2ccc(C#N)c(Br)c2F)C1(C)C 1885858130 KGYFWKKQNQYXEC-OCCSQVGLSA-N 426.330 4.811 30 10 IJEE Cc1ccc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)c(Cl)c1 1892138009 QKPGAYSFJJJXLC-LEWJYISDSA-N 427.957 4.552 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)[C@@H](CN)CCC12CCC2 1924926520 OKEWNLSTIYWUOY-QVKFZJNVSA-N 434.378 4.992 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1 1941496842 LQTWNRNLTKLVNV-WAIKUNEKSA-N 431.533 4.728 30 10 IJEE Cc1cc(C#N)ccc1[C@@]1(C(=O)O)C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 1952773554 XLWFXZUOAAIOQP-SQHAQQRYSA-N 438.483 4.500 30 10 IJEE CCc1nc(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(C#N)cc1C 1960162032 BZQMNOGDUVZJOE-UHFFFAOYSA-N 426.520 4.775 30 10 IJEE C=C1C[C@H]1C[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1996703353 WLUPXKFMWIBRPZ-GOTSBHOMSA-N 427.633 4.880 30 10 IJEE CC1([C@H]2CSC(=Nc3cc(Br)ccc3I)N2)CC1 2033115900 UXQFSSBQZNKWEG-LLVKDONJSA-N 437.144 4.546 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 2038667999 BFEPDAQLUVWYHW-SANMLTNESA-N 440.632 4.656 30 10 IJEE COc1cc(C(=O)C(=Cc2ccc(C#N)cc2)c2nc3ccccc3[nH]2)cc(OC)c1OC 2042913972 UOIAPFDYANOZFP-UHFFFAOYSA-N 439.471 4.884 30 10 IJEE CN(C)Cc1nn(Cc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079173060 ITNWCCMPOQCAKC-UHFFFAOYSA-N 448.180 4.932 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CCC2)c1N 2080056178 PSSDSMGWINZGGE-ZDUSSCGKSA-N 439.331 4.818 30 10 IJEE CCOP(=O)(OCC)c1cn(Cc2ccc(C(F)(F)F)c(F)c2)nc1C(F)(F)F 2080380484 XTRBCITZULJDFS-UHFFFAOYSA-N 448.275 5.000 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083815219 CEIGOGJVXSBKKV-GJZUVCINSA-N 444.616 4.552 30 10 IJEE N#C[C@@H](C(=O)CSCCc1nc2ccccc2[nH]1)c1nc2c(s1)CCc1ccccc1-2 2084273024 JXRRWIWGJOGFMX-KRWDZBQOSA-N 444.585 4.937 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)C1(C)C 2118150552 FWEORVRQJXEASE-ZDUSSCGKSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(c2ccc(C#N)c(Br)c2F)CC(F)(F)C1 2174815982 YRKBKPJAIOTWJZ-UHFFFAOYSA-N 448.283 4.542 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180904299 VVEBCBCAEBJMOC-UONOGXRCSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](O)C#Cc1ccccc1Br 2232074696 ZKTMISIANOPZEI-IAGOWNOFSA-N 442.419 4.587 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC=CCN1C(=O)OC(C)(C)C 2235716977 AGICXFXEHLEVLW-UXHICEINSA-N 433.390 4.734 30 10 IJEE C#CC[C@H](C[C@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237404964 LZHMWNGSDOCJEA-AHRSYUTCSA-N 436.390 4.685 30 10 IJEE C=CCCC1([C@@H](O)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266226654 KVGQSMZKKFNLKZ-INIZCTEOSA-N 432.305 4.964 30 10 IJEE C=CCCC1([C@H](NC)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2281043078 VVUNNHGMGMLKIO-GOSISDBHSA-N 439.394 4.922 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@H](O)C#Cc2cccc(Br)c2)cc1 2296223502 ALNYTLFPMLEUGB-HXUWFJFHSA-N 430.342 4.601 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(C)C=CCCN1C(=O)OC(C)(C)C 2296230633 VNEZVIRKYPMRLR-UGKGYDQZSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](N)C#Cc1ccc(Br)cc1)c1ccccc1 2296279141 LSPUEDWVDAMICS-VQTJNVASSA-N 429.358 4.784 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)nc1 2296295469 DGNSSVQAAJYTLK-SFHVURJKSA-N 430.346 4.893 30 10 IJEE CC1(C)CC[C@@](N)(C#Cc2ccc(Br)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 2296303228 SQOQJVOQJDTTTF-JTSKRJEESA-N 435.406 4.849 30 10 IJEE CCCCOc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 2296876130 XQUROBLYTWERKU-UHFFFAOYSA-N 430.570 4.705 30 10 IJEE C=CCOc1ccc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC 2297561507 HMLKWWXTRCVFIZ-UHFFFAOYSA-N 441.530 4.785 30 10 IJEE COC(=O)c1ccccc1N=C1NC(=O)C(=C(C)c2ccc(Br)cc2)S1 2314557537 MZKNPKFDGQWOAV-UHFFFAOYSA-N 431.311 4.517 30 10 IJEE CCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2324879295 MUGNLPKDENSXPH-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 2324969455 CMRQHXVHKREQKH-UHFFFAOYSA-N 444.443 4.791 30 10 IJEE Cc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C(=O)O)cc(C)c3C2=O)c1 2325161810 XRKGTPIMWLHFSW-UHFFFAOYSA-N 443.455 4.635 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2327674341 QZPNDNPEFGOYFQ-UHFFFAOYSA-N 431.905 4.803 30 10 IJEE CCCOc1ccc(C=Nn2c(Cc3ccc(OC)cc3)nnc2SC)cc1OCC 2329237147 FURSNPMERDDMIS-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cn(C)c2ccccc12 2329270164 JENCCWUCMNQQQU-UHFFFAOYSA-N 431.565 4.920 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccccc2)cc1 2329898649 BOIVEBWWIIWOIH-UHFFFAOYSA-N 445.504 4.940 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCc2ccccc2)c(O)c1 2330194086 WBJNEIIYRZPERV-UHFFFAOYSA-N 430.533 4.649 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1 2330707379 FLUVPEACBXQYKK-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2F)o1 2331512349 ZQPFRFUHHLJFHY-UHFFFAOYSA-N 446.479 4.768 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2358671591 JXQLIAAMDMRXSS-GGPKGHCWSA-N 435.406 4.720 30 10 IJEE N#Cc1ccc([N+](=O)[O-])c(Oc2cc(Br)cc(I)c2)c1 2364016071 WDJDDCPLKFGHOJ-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 14783844 YPCZMQDPTGEIOK-UHFFFAOYSA-N 432.545 5.000 30 10 IJEE C=CCc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc(OCC)c1O 15912399 ITDDQRQPOTYRBB-WQRHYEAKSA-N 441.530 4.623 30 10 IJEE COC(=O)c1scc(C)c1N/N=C(\C)c1cc2cc(Br)ccc2oc1=O 20615113 XNPDETUTEXEGIN-KEBDBYFISA-N 435.299 4.548 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)cc1Cl 21229913 JAUCVUUQBBZXAS-WMZOPIPTSA-N 425.912 4.752 30 10 IJEE COc1cccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)c1 35444938 YKEDURKYOWDUAD-JUXNATCKSA-N 439.511 4.916 30 10 IJEE COc1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4)cc(C)c3C2=O)cc(OC)c1OC 41251129 NFIJRVVCRNNTHO-JAIQZWGSSA-N 446.455 4.856 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2nc(S[C@@H](C)c3nnc(C4CCC4)o3)n[nH]2)cc1 59878866 JSIKKLKUWAWLJY-KOUDTOEKSA-N 440.577 4.601 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 66198707 LELAUHKBPDLLJK-HXUWFJFHSA-N 440.609 4.990 30 10 IJEE CCOc1ccc(C(=O)/C=C\c2cn(C[C@@H](O)CN3CCCCC3)c3ccccc23)cc1 96498722 ARJATSLOOVMPBD-QPMFXJJASA-N 432.564 4.783 30 10 IJEE CC(=O)/C(C(=O)OC(C)(C)C)=C1\N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 103741048 OLMZYLLGRMCDLR-QURGRASLSA-N 446.547 4.816 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)cc1 109974712 CYFXZISCACTNAA-WUXMJOGZSA-N 432.455 4.972 30 10 IJEE N#Cc1cc(Br)ccc1NCc1ncc(Br)cc1Br 135308636 RODBFIMSUHUNAX-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)c1 169957868 YYBFCYXMSZTYCD-XMMPIXPASA-N 429.472 4.503 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccn3)nc2c1 170000111 VTEQMZPVIMNCAU-HXUWFJFHSA-N 444.878 4.703 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1 170043675 GSUNIAUHZJXTQA-HXUWFJFHSA-N 427.884 4.575 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc2ccccc12 170045130 IGILZXXABDYFDG-LVXARBLLSA-N 441.527 4.916 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 170053384 FRKNABSIJSAASB-QHCPKHFHSA-N 444.462 4.875 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 170131510 XBOFXHGMDDYGDY-QFIPXVFZSA-N 428.419 4.796 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccnc2)c1 170191815 QRUOWRYTQHUEOK-NRFANRHFSA-N 436.414 4.541 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 170226601 CJBVUILMTXGLJG-OAQYLSRUSA-N 433.847 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2 170235537 JVXLWDLZVIZNOD-NRFANRHFSA-N 435.863 4.646 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 170240088 HBDDLVNKKLJFEX-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 170249685 ROSXWUJYPQVGEH-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1c(C)[nH]c2ccccc12 170311813 DBPQRWCKWBZQOH-HSZRJFAPSA-N 448.519 4.872 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC(C)=O)cc1 170320191 DXVUWOXRUYBPPN-QFIPXVFZSA-N 433.460 4.737 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)o1 170401171 YDOUOIMNWQHDBW-GOSISDBHSA-N 444.365 4.665 30 10 IJEE C=C[C@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 230110762 IFLVZUKRBYZXMF-SQHAQQRYSA-N 447.579 4.891 30 10 IJEE COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(C)C1=O 252643805 ZXBNHEXWUMRTNU-SFHVURJKSA-N 431.945 4.556 30 10 IJEE N#C[C@@H](c1cccc(I)c1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 309999919 DMJDOFSKUNTKRI-MJGOQNOKSA-N 446.288 4.557 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2c(C)nnc2-c2cccc(C#N)c2)cs1 428324232 DKIHDZYHRHIJPA-UHFFFAOYSA-N 442.548 4.931 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3COc4ccccc4C3)s2)c(C(F)(F)F)c1 487288012 FVEDHEJBWNPWLS-INIZCTEOSA-N 443.450 4.814 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 508907826 OZTGUQQTTDAHJW-RUZDIDTESA-N 440.547 4.795 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)c(OC)c2)cc1 526604481 NAPDFFDZLFAOHF-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC(C)=O)cc1 526803584 BKTBGLWFSPGQIE-OYKKKHCWSA-N 426.517 4.860 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1sccc1C 526827034 PCKFHWKWAUVGMT-XKZIYDEJSA-N 428.583 4.952 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 549690683 WRBRLWVXVJSUAT-HNNXBMFYSA-N 426.508 4.934 30 10 IJEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 581501543 BVSGTOQJTNFZFQ-CVDCTZTESA-N 436.531 4.677 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N[C@@H](c3ccccc3OC(F)F)C(F)(F)F)C2=O)cc1 582221211 CGCJLSJCDUHHHV-WMZOPIPTSA-N 439.384 4.548 30 10 IJEE N#Cc1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 586124050 KPKJQNMNFOOTIP-UHFFFAOYSA-N 441.350 4.712 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 586276202 GTAXDRNKCKADKK-UHFFFAOYSA-N 440.908 4.564 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 608873099 QPUYUZUAWDGGPP-QFIPXVFZSA-N 439.943 4.880 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(F)c1 698377495 SMRTZNQBFWCNOR-QGZVFWFLSA-N 428.346 4.732 30 10 IJEE CCOCCC/N=C(/NCc1ccc(OC)cc1)NCc1nc2cc(Cl)ccc2s1 727241462 PGPXXYGFYIPAJM-UHFFFAOYSA-N 447.004 4.620 30 10 IJEE O=C(Nc1ccc(F)nc1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769242958 XIMPQPGGONONTH-AWEZNQCLSA-N 437.315 4.864 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 803523096 LKLBPALAYBPOHG-LJQANCHMSA-N 449.904 4.721 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1cccc(C)c1C 809889837 NDHRXQCEMLQXBD-HSZRJFAPSA-N 445.567 4.849 30 10 IJEE C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 916719609 FQPUKCRJXAEDBZ-IWZUTMLHSA-N 442.585 4.505 30 10 IJEE Cc1cc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(CO)c2)c(C)c(C)c1C 917612517 WFECYWFEDNIUDJ-UHFFFAOYSA-O 444.580 4.895 30 10 IJEE CC(=NNc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1ccccc1 1084440942 UFLFHBYEIMUQPK-UHFFFAOYSA-N 425.905 4.637 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 1126787599 XYGFDVMZPTVNAV-HNNXBMFYSA-N 429.314 4.859 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2cc(OC)ccc2Br)C(F)(F)F)cc1 1128865846 DQTGGPZJNJNKQJ-GOSISDBHSA-N 427.216 4.828 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(-c3nnsc3Cl)c2)CCCN1C(=O)OC(C)(C)C 1131808378 WVUIFCVFQSTOOT-NRFANRHFSA-N 446.960 4.590 30 10 IJEE C=CC1(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)CN(C(=O)OC(C)(C)C)C1 1135440134 QGKTWQSEMZIRRM-UHFFFAOYSA-N 441.597 4.816 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[S@](=O)c1ccc(Cl)cc1 1136557907 VRJJDSYCGAONEN-VWLOTQADSA-N 444.753 4.564 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[C@@H](OC)C1 1138248297 AZHANVDVDCDHHP-RRQZXNHTSA-N 448.563 4.544 30 10 IJEE C=C1CCC(CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 1177327003 OUPDTGINCVCDDI-UHFFFAOYSA-N 431.330 4.700 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)OC 1177959825 VCOOKNCRZKHTPG-LJQANCHMSA-N 434.319 4.852 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@](CO)(c2ccccc2)C1 1206202532 FPYFBXIYLVWUIN-QFIPXVFZSA-N 445.357 4.572 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 1264262432 GYMJGYWNDFMHAH-SFHVURJKSA-N 433.430 4.976 30 10 IJEE COc1ccc(-c2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)nc2)cc1Cl 1271100412 AWHVDQQEXLEWJD-UHFFFAOYSA-N 432.789 4.948 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1F 1275499276 WOHOFDLQVZPRJS-JOCHJYFZSA-N 430.870 4.831 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=C)c1ccccc1 1286298157 GHIUOIMHHQZRMG-HXUWFJFHSA-N 449.599 4.564 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCSC[C@H]1C 1286316440 CDZRUWAXBSQUIL-CQSZACIVSA-N 437.382 4.592 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286346472 VBRMNMIHXXQMLK-UHFFFAOYSA-N 441.379 4.551 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C(F)(F)C12CCC2 1286453677 WJRMIWFAHKVIFI-CRAIPNDOSA-N 434.918 4.966 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1286453768 WTMRIKWQDXGIOW-CVDCTZTESA-N 441.595 4.527 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(CC(C)C)CC2)CC1 1286471400 JRDNTLHQMRXIIR-HSZRJFAPSA-N 449.643 4.616 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(CCc2cccc(F)c2)C2CC2)nnc1C(C)(C)C 1286568819 YMPNFOQVINIGDU-SIKLNZKXSA-N 426.580 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CC1(N2CCSCC2)CCCC1 1286569586 VPRJYQQSTGLGJA-UHFFFAOYSA-N 429.634 4.611 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1286614161 MSXIVNSRCKMLHE-JOCHJYFZSA-N 446.020 4.947 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1286655454 MQABHJVCTASYJD-OYRHEFFESA-N 446.643 4.976 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1286684630 KTRJLWGPNKUNPG-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCC(N2CCCCC2)CC1 1286691492 IUBFQKDEAXIJKD-UHFFFAOYSA-N 441.595 4.807 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286702183 MOQMVJSRNRHDTH-UHFFFAOYSA-N 429.540 4.501 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1286708597 VYPDEDDMZRJLDV-VQTJNVASSA-N 445.007 4.834 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cccnc1OCC(F)F)C1CC1 1286734501 BPSKHWFMVSPTKV-UHFFFAOYSA-N 445.901 4.841 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1Cc1ccnc(SCC)c1 1286741075 BWWUDYIJNPKPRI-UHFFFAOYSA-N 430.581 4.775 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCO1 1286748542 YWKAUYRRFYEYRH-SFHVURJKSA-N 446.523 4.980 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 1289460506 FYCWUQWSTIWUDE-IZZNHLLZSA-N 442.559 4.658 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](CO)c3ccccc3OC(F)(F)F)c2)cc1 1297431505 BYYXFUKXHZZMEL-FQEVSTJZSA-N 442.393 4.713 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc2nc(O)n(C3CC3)c2c1 1299170429 OCHPKVILFUOBCQ-UHFFFAOYSA-N 428.286 4.656 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc(OC)ccc1Br 1300411207 GZKQMYJXHYENBW-UHFFFAOYSA-N 433.394 4.688 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H]1OC 1300595786 QPSGHFRWPYWDHJ-GHTZIAJQSA-N 443.016 4.502 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCOC1CCCCCC1 1300641516 BJDULSIOCIVUQZ-UHFFFAOYSA-N 447.558 4.858 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](OC)C(C)C)CC1 1301095770 OKCXNQGJSUPBRZ-JOCHJYFZSA-N 426.605 4.982 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccccc2OCC)CC1 1301097474 XIDKAYBCMBFZCQ-FYYLOGMGSA-N 438.616 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccccn1 1301149990 KLGAZXGKFZEVFJ-UHFFFAOYSA-N 427.556 4.765 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1301165033 CSBCOVHLQYLUGO-BKMJKUGQSA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1301174428 RGKCCPXESVGDIY-NTKDMRAZSA-N 428.552 4.920 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)[C@H](C)CC)C1CC1 1301317752 XYCYPZOXTQFODW-YJYMSZOUSA-N 439.423 4.721 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCC1CCOCC1 1301351180 LZKFXHCWSCFFCX-JOCHJYFZSA-N 428.552 4.668 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)CN1CCCC1 1301363206 PUJLJLCAGMQVCJ-OAQYLSRUSA-N 443.661 4.896 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCOC[C@H]1C)C(C)C 1301367786 SFQSKLYKQYIISU-IRLDBZIGSA-N 449.599 4.615 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCc2ccc(OCC)cc2C1 1301615143 GOLXQMWBSQWYBM-UHFFFAOYSA-N 440.638 4.811 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccccc1 1301615737 VBHDIJWEJXGOFX-FQEVSTJZSA-N 425.627 4.895 30 10 IJEE COc1ccc(-c2nc(SCCSc3ccc(F)cc3F)nc(O)c2C#N)cc1 1307263910 OWRCCCJMSRDEAA-UHFFFAOYSA-N 431.489 4.892 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1Br 1309425745 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4.983 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(F)(F)F)CC1 1359174922 UKKUBLZBRSBTGC-UHFFFAOYSA-N 433.247 4.811 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC2(CC2)C1 1359214659 JAWYRQKBXSAGLV-LJQANCHMSA-N 429.609 4.739 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1359219926 IVVXQWDOQFMFEV-IBGZPJMESA-N 428.487 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1CCCCO1 1359263473 CCFJKXZDBZTGDQ-PMACEKPBSA-N 430.618 4.776 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1cccc(C(F)(F)F)n1 1359277327 IYYRQMJDJCDHEB-UHFFFAOYSA-N 433.478 4.767 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2C[C@H](C)O[C@@H](C(F)(F)F)C2)cc1 1359306915 UZAMNFMCBMHTAA-JTDSTZFVSA-N 438.494 4.561 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CC)CCC2)C1 1359315856 CXFXRGKWDNUIMN-GOSISDBHSA-N 430.980 4.969 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCC2(F)F)C1 1359315931 FFADROOEQWAFRN-IAGOWNOFSA-N 437.922 4.600 30 10 IJEE 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4.633 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2[nH]c(C)c(C)c2c1 1507546390 JLITZRFVPWRFAE-LERMDLETSA-N 433.600 4.801 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1507578320 XWHWTVRIHZJBRX-UHFFFAOYSA-N 447.549 4.730 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@@H](C)C1 1507714045 HHLHVKCOYDBSMQ-RTWAWAEBSA-N 438.616 4.677 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1Cl 1507804994 MYCNYLJYYYTMMH-XXBNENTESA-N 437.975 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1 1507822642 YXBCYQUDTJQHLU-UHFFFAOYSA-N 437.510 4.798 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1507838053 JQJJHHULACYLRQ-ROUUACIJSA-N 436.025 4.697 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2csc([C@@H](C)OC)n2)CC1 1507886205 YJJPAIJPPBKZOA-OAHLLOKOSA-N 445.539 4.516 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CCOC)C1 1507931945 JIEWJKJELBVUTB-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1507939268 OGQXBBPHBDGGGN-VQTJNVASSA-N 429.634 4.633 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1ccc(OC(C)C)nc1 1507995964 FIRXYFVDKAKASL-UHFFFAOYSA-N 430.556 4.696 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1 1508005852 YVHDQHIVZDEZKI-LJQANCHMSA-N 441.595 4.772 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1508012312 VRBHHJVBVKKBRZ-OAHLLOKOSA-N 441.004 4.802 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1508013651 QPSBJCVQEOKXJE-IBGZPJMESA-N 439.604 4.935 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1508018956 BTGYNCXDUZTSDK-XUZZJYLKSA-N 448.640 4.587 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1ccc(F)cc1 1508033579 NUUYVQLSQMKGDO-TZIWHRDSSA-N 438.547 4.943 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CC=CCC2)C1 1508113531 ZACZFCLUAXHDSQ-ZWKOTPCHSA-N 443.389 4.845 30 10 IJEE 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C=CCOc1ccc(/C=C\C(=O)NCC2(c3cccc(Br)c3)CC2)cc1OC 1531836055 HEUBFRWVINURJX-NTMALXAHSA-N 442.353 4.884 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)c(OCCC)c(OC)c1 1536349487 YBURWBRHFQQFLO-UHFFFAOYSA-N 434.305 4.661 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)C1CCCC1 1538975641 ATYQYGFQPQBYMH-SFHVURJKSA-N 448.640 4.709 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCSC(CC)(CC)C1 1539097107 CARNTYPBOJZWSG-UHFFFAOYSA-N 434.613 4.861 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1539104548 LGMRPIRKKUNMNX-FQEVSTJZSA-N 434.540 4.873 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1539506001 GVEUANVKKONEJF-QUCCMNQESA-N 442.629 4.734 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 1539597335 VPAVLDFKBGRDKG-HZPDHXFCSA-N 438.395 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1nccc(C(F)F)n1 1539660325 YSTHJUJOGYMQTF-UHFFFAOYSA-N 435.482 4.672 30 10 IJEE C=CC[C@]1(C(=O)OCc2cccc(F)c2OC(F)F)CCCN1C(=O)OC(C)(C)C 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HMFCTHOMLHZYCG-UHFFFAOYSA-N 443.894 4.811 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2ccc(OC)cc2)C1 1556707549 APBQAYDSXFQSPO-ICSRJNTNSA-N 436.980 4.512 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(Br)c1C 1559347472 ZISYKFAMPPCSOI-UHFFFAOYSA-N 435.435 4.856 30 10 IJEE N#Cc1ccc(CN[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c(Br)c1 1560051416 CBGHOXWUYKLHBZ-NRFANRHFSA-N 427.342 4.507 30 10 IJEE CC(C)(C)c1ccc(Cn2nccc2NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1562672445 BRLWODBQMNIFGK-UHFFFAOYSA-N 448.596 4.516 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1)c1ccc(F)cc1 1583539229 PMAKXPACYLDWAN-DEOSSOPVSA-N 425.463 4.791 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1584398576 QIAYNEYNYIRHEL-UGKGYDQZSA-N 447.604 4.793 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1ccc(F)c(F)c1 1585435353 MKDDMVVBUMGIJO-ZHRRBRCNSA-N 448.535 4.575 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@@H]1C(C)C 1588446113 YPDSQGJXZLTSSL-PXDATVDWSA-N 438.616 4.810 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)c1ccccn1 1588550210 KTABEWZXQDSVMA-JOCHJYFZSA-N 447.558 4.671 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1588976034 PUSRYMRFLFHQIQ-CEMLEFRQSA-N 426.630 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCCc1nnc(C)s1 1589151293 WNOMBGXNWFNDQM-HYBUGGRVSA-N 434.613 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1589228479 OEPKNNWMDYJQAE-ZILOHOTNSA-N 426.630 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1589250882 DFDRORUABKUCFC-JHMXWDHMSA-N 438.641 4.932 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2c(C)coc2C)CC1 1594134740 VCTQPHYPJNVYBI-FQEVSTJZSA-N 441.576 4.765 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCCN(C2CCCC2)CC1 1594651591 NFQTUESWOZCPFI-UHFFFAOYSA-N 441.595 4.807 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@]2(CC=CCC2)C1 1594819685 ILRSHNAOOTVMKH-AREMUKBSSA-N 436.600 4.797 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC(C)C)nc1 1594855337 AZMZZUSHGPTDER-HXUWFJFHSA-N 435.572 4.888 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1sccc1C 1594914040 UFQRCVBZWSMASF-UHFFFAOYSA-N 433.375 4.757 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H](C)CNC(=O)OC(C)(C)C)C1CC1 1595043827 GIJHMCSWWHQJGV-INIZCTEOSA-N 445.995 4.914 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1595044049 MKZCAUGUWKPXSM-QGZVFWFLSA-N 443.567 4.742 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1595330443 RNKQBCGHYIMHHG-LPHOPBHVSA-N 443.979 4.620 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCC(C)(C)C2)C1 1595682117 XAUGDUMGPJSYOO-NRFANRHFSA-N 444.023 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)c2nccs2)C1 1595705749 DPCPWLSBVQKHPM-HOTGVXAUSA-N 429.977 4.640 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(F)ccc(Br)c2s1 1595930225 FTAZIQCMCKZICB-UHFFFAOYSA-N 434.290 4.866 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC1=CCCCC1 1606957464 GGRMYKFKMWKMGL-UHFFFAOYSA-N 445.571 4.860 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1611856910 ASDQIORBWIUJTN-HSZRJFAPSA-N 439.560 4.739 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](CN(CC)CC)C2)s1 1613802525 GYYLECOCJAOHSA-FQEVSTJZSA-N 448.640 4.657 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccnc2)C(C)C)C[C@H](C)O1 1614215669 ADPOEXRFVAOJIM-WUMKDDEVSA-N 444.583 4.655 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ncsc2Nc2ccccc2C)ccc1OC 1617245576 GHRYJELJMQSAJN-KRWDZBQOSA-N 436.537 4.815 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c(Cl)c1 1618186512 RYTAJKVJWWOVLO-UHFFFAOYSA-N 439.920 4.958 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2ccccn2)c1 1620921741 HUZKPTCALOFFFX-OAQYLSRUSA-N 425.529 4.849 30 10 IJEE Cn1cc(CN[C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1621244914 AWDIWYIXLSDABD-YMPZKCBVSA-N 449.599 4.617 30 10 IJEE Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](CCC#N)c3ccccc3)ccc2C)cc1 1623517735 IFSKIHHTSKRGPI-QHCPKHFHSA-N 447.560 4.879 30 10 IJEE C=CCNc1ncc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)s1 1623787904 ODSYSERUPOFPEB-UHFFFAOYSA-N 429.549 4.583 30 10 IJEE N#Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1Br 1624633775 GSPLPTZIXGBGEI-OAHLLOKOSA-N 446.267 4.534 30 10 IJEE C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1624973336 DZVGTISNEKWBLR-INIZCTEOSA-N 436.512 4.917 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)cc1 1625057689 MPOXBDGMRIEELY-VXKWHMMOSA-N 442.600 4.680 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1 1627118149 LDXIPKFPYDWKIR-UHFFFAOYSA-N 435.524 4.523 30 10 IJEE C#CCC1(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OCC)CCCCC1 1639187530 QEQUZEDUEFHKBU-HXUWFJFHSA-N 428.573 4.884 30 10 IJEE C=CCn1c(Sc2cc(C(F)(F)F)c(C(=O)OC)cn2)nnc1-c1ccc(C)cc1 1639674554 YWXSZPVCNHQSOJ-UHFFFAOYSA-N 434.443 4.791 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC 1640459935 JFYHUTRKBVYXKB-OAQYLSRUSA-N 438.490 4.779 30 10 IJEE C=CCC(C)(C)CNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1641414672 SCPMTDSJYPQUPL-UHFFFAOYSA-N 443.632 4.655 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC1(C)C 1642511585 FBXWHRYDAVHBCQ-YADHBBJMSA-N 438.955 4.951 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C(=O)OC)c2cccnc12 1652699152 SPDQSIXGYHNTKB-UHFFFAOYSA-N 446.532 4.670 30 10 IJEE COc1cc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)ccc1OCCC(C)C 1653055354 GLMKPSDPVNZKMD-INIZCTEOSA-N 429.948 4.934 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1c(Cl)cc(C)cc1Br 1653852318 CWSFJMLAFZJQSV-UHFFFAOYSA-N 439.762 4.660 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 1654266546 ASJILAMHHLUBQH-UHFFFAOYSA-N 429.867 4.828 30 10 IJEE CCOc1ccc(NC(=O)c2ccc(NC(=O)NCCc3ccc(C#N)cc3)cc2)cc1 1657648419 GLSGVVPYACLBTD-UHFFFAOYSA-N 428.492 4.573 30 10 IJEE C[C@H](CN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](C)CO)c1ccccc1 1658735813 BNMBYADWRXZWSV-MOPGFXCFSA-N 430.508 4.764 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCOc3cc(F)ccc3C2)cc1 1658869330 DJFKRTPRSIJDGC-UHFFFAOYSA-N 433.439 4.925 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)[C@@H]1CCCO1 1659480796 HJDLHLTXAQCJBF-YPMHNXCESA-N 426.382 4.662 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccc(Br)cc1 1663547636 AHJRQKLXTNTXKG-LBPRGKRZSA-N 437.117 4.548 30 10 IJEE C=CCCCS(=O)(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1667656231 ZNUSVAZHWGPRAC-UHFFFAOYSA-N 440.403 4.988 30 10 IJEE CCCc1c(NC(=O)Nc2cccc(N=S(C)(C)=O)c2)cnn1-c1cccc(C#N)c1 1670796022 BZUXSBXVIKSFLK-UHFFFAOYSA-N 436.541 4.700 30 10 IJEE C=CCC1(CNC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CCCC1 1672861007 NJZSNHLLOLYOHL-UHFFFAOYSA-N 449.617 4.518 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H]3C[C@H]4CC[C@@H]([C@@H]3C)N4C(=O)OC(C)(C)C)cc2n1 1675017810 MRLBSESQIZEYBZ-ZXFPDNNPSA-N 439.560 4.520 30 10 IJEE COc1cccc(N2CC[C@@H](NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2)c1 1676876050 GUWSCFGSELYGID-NTKDMRAZSA-N 440.547 4.873 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C)c1ccc(Cl)cc1F 1683688370 BUJPEORVMWPVJD-JFNLIGNMSA-N 427.951 4.846 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1689884190 MKENVRPUFLEOLG-UHFFFAOYSA-N 429.568 4.808 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCc1ccccc1F 1689952832 WCXKWJAPQGPMTP-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](OC)C(C)(C)C 1690065261 QWLXQALIQFJBFX-JOCHJYFZSA-N 436.556 4.638 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CCC(C)C 1690241657 VUHVTYSLFYVZLM-XZOQPEGZSA-N 432.572 4.564 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCC2)C[C@H]1CC 1690303396 XTUOKBUGQJPEQU-LJQANCHMSA-N 425.533 4.605 30 10 IJEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1690308546 RHNDFBRUPXNIGX-SFHVURJKSA-N 440.617 4.830 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690420020 IQDXFHZERLORLT-FYYLOGMGSA-N 437.632 4.775 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OC(C)(C)C)CC1 1690511884 FBPTZFAETFDRAX-NHCUHLMSSA-N 448.652 4.573 30 10 IJEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(C)(C)C)C1CC1 1690538874 QRYPWGDPKCHGGL-UHFFFAOYSA-N 444.649 4.528 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1690541278 UXHILMJGEUUZRV-QZTJIDSGSA-N 429.012 4.516 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCSC(C)(C)C1)C(C)C 1690581617 VNPZYWDFJGTAQW-LEWJYISDSA-N 447.693 4.550 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCc1ccccc1F 1690607097 CKRMLGPQZVLBGO-UHFFFAOYSA-N 431.515 4.858 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCSC2)C1 1690686527 PROLPLHNBQWXJY-ABSDTBQOSA-N 449.020 4.606 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)C1 1692486086 HOXPJIXESMNUDU-HXUWFJFHSA-N 434.613 4.635 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCSC1(C)C 1705505171 HGDRWBUGHJPQJF-DLBZAZTESA-N 430.643 4.569 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N(C)C(C)=O)CC1 1705512037 NZANGKQUHLSFDQ-UHFFFAOYSA-N 448.398 4.503 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC=C)Cc1cccs1 1705525784 VBTAORVDKYHFNR-UHFFFAOYSA-N 430.375 4.703 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1705558157 LOFOZXPVHBCZSL-OYRHEFFESA-N 439.673 4.705 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCC[C@@H]1C 1705593776 IHSHVXMDVFMMEF-RBBKRZOGSA-N 434.584 4.642 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)CC 1705654238 AMDVCXUFQHBHJB-UHFFFAOYSA-N 427.799 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1Cc2cccc(Br)c2C1 1705693569 ICNHNIINWHSKIV-APWZRJJASA-N 431.378 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCCC 1705702215 FOWYDARTSAWUEB-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](C)[C@@H]1C)c1ccccc1 1705743962 MUVHZAXUVSDJKX-DLBZAZTESA-N 425.627 4.677 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC=CCC2)CC1 1705768347 PSGWEOCKJSTZOK-RTWAWAEBSA-N 441.620 4.905 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705769923 JMFXWNHTIJLGJD-QGZVFWFLSA-N 428.886 4.646 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1705782159 PXLLZACPZVQGFF-LJQANCHMSA-N 448.514 4.580 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccc(Cl)cn1 1705837299 WVBVPEGJFQQUCQ-HNNXBMFYSA-N 444.004 4.881 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCO[C@H](C)C1 1705863201 KTEIOKWLWKYUKJ-NQIIRXRSSA-N 437.613 4.642 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)OC 1705871166 ZXQRTADWOFCIJK-ZDUSSCGKSA-N 425.758 4.574 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1705875420 RJTMVXSKIVOBNG-AZGAKELHSA-N 443.595 4.919 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1csc(C)c1 1705877747 CJVDICHJWYQEFW-UHFFFAOYSA-N 446.624 4.793 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705887965 UXESTIQCCCGGGA-ZDUSSCGKSA-N 435.277 4.986 30 10 IJEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1705889863 IQJHZJCREVCUJD-UONOGXRCSA-N 427.496 4.565 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1705890490 SHRWQJQVYOBJOX-RBUKOAKNSA-N 449.665 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC[C@@H](C)C2)C1 1705921382 QYFHQMAPRBPSOT-ZIFCJYIRSA-N 430.980 4.825 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1 1709246074 HSZFGIFERKZHFX-NMMYMHLASA-N 425.552 4.742 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)cs1 1711498165 DHKSMWXMZCTZAO-BRWVUGGUSA-N 436.585 4.511 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C 1722322203 HCMXDOCOGAEUON-KZNAEPCWSA-N 432.519 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccc(C)s1 1722506040 QHNNHIWSSGYBJE-UHFFFAOYSA-N 442.585 4.792 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cn(CCCCC)nc2C)CC1 1722576260 MFYKASPKCAMVOE-UHFFFAOYSA-N 443.599 4.963 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722585050 OZOBDVOSTSQHOL-LJQANCHMSA-N 436.560 4.631 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCOC(C)(C)C)c1ccccc1 1722596594 LFFVJSCDTQUZJT-FCHUYYIVSA-N 426.605 4.783 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1722628320 ZVVDARMUGLZHFI-PWRODBHTSA-N 448.652 4.573 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1722669408 DXYBXWJSZAQNMU-DEOSSOPVSA-N 428.584 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)SC 1740539029 MGVRXZHUWQAVDP-RYUDHWBXSA-N 427.799 4.570 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]2CCC[C@H]21 1740571202 XMTYFLNDTGNSMW-QFBILLFUSA-N 443.389 4.899 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCc1ccc(Cl)s1 1740641335 IDUGZMVZMKLEIN-UHFFFAOYSA-N 438.984 4.504 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1Cc1cc(C(CC)CC)no1 1740654403 MUSAPNPRKZREJU-UHFFFAOYSA-N 429.568 4.580 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740673322 PMBSPEIMEZNVLM-CYFREDJKSA-N 433.600 4.651 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740718537 PZFMOBLDHUTSBS-SFHVURJKSA-N 429.659 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)c1ccsc1 1740777069 LLXDFHKIOVJUDR-DNVFCKCGSA-N 432.634 4.568 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H]2C)CC1 1740824727 AUVONXRZIGJTSQ-PCCBWWKXSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CCCCNC(=O)OC(C)(C)C)CC1 1740834704 HZBZNHWVWKRFRD-UHFFFAOYSA-N 439.604 4.961 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccnc(SCC)c2)CC1 1740839996 TUKRGODIOCPKCQ-UHFFFAOYSA-N 437.588 4.966 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740847039 VQKZFJGKYAZGHU-SBUREZEXSA-N 430.980 4.585 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC1CCC(F)(F)CC1 1740917067 FXKJZUCIMDCDHK-UHFFFAOYSA-N 443.542 4.532 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCCC[C@@H](SC)C2)nnc1C(C)(C)C)C(C)C 1740926691 JCGBSALKAPSVDH-NHCUHLMSSA-N 433.710 4.996 30 10 IJEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 1742941990 DKDWMXDODPLZCV-VQTJNVASSA-N 437.588 4.526 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1748907460 KQRDWBHHDWXFSE-ZEQRLZLVSA-N 447.671 4.966 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2nccs2)CC1 1749293799 HAEYIGQULPBYPU-UHFFFAOYSA-N 439.585 4.597 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](C(F)(F)F)C1)C(C)C 1749557966 PNNUTFDLQVPIRV-RBUKOAKNSA-N 425.543 4.633 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1749762006 LMSVBRGHOOCKET-HNNXBMFYSA-N 431.606 4.890 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCC[C@@H]2C)c2ccccc2n1 1751409590 FAAXONOHAXUXAH-CTNGQTDRSA-N 445.615 4.662 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1752493428 GJZQUTSARGUERU-UHFFFAOYSA-N 449.990 4.628 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCSCC(C)C 1760124564 KBBZNMFGUDSTKC-OALUTQOASA-N 449.665 4.587 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1ccnc1C 1760331592 NGQUXGIXLZZOCP-UHFFFAOYSA-N 428.968 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CCCN1CCc2ccccc2C1 1760339728 UFYMEZIVDHDONX-UHFFFAOYSA-N 435.641 4.781 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(Br)cc2C1 1760343796 UTAJZNKQYGBZSK-UHFFFAOYSA-N 444.764 4.895 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCNC(=O)c2occc2C)CC1 1760383014 DNYHCJJHBZJJDO-JOCHJYFZSA-N 447.583 4.698 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1760385216 MQZRVDWNKYHEBX-MJGOQNOKSA-N 445.405 4.724 30 10 IJEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1760391402 BIJHGJHTQPYGSD-UHFFFAOYSA-N 444.505 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C2CC2)C1 1760407542 HAMAESGTIXFOKO-IBGZPJMESA-N 442.007 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760411047 ASFXDAHOQRQCQA-UUOWRZLLSA-N 429.609 4.641 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(N2CCCCC2)nc1 1760458676 PUDCIHUKPHILRW-UHFFFAOYSA-N 440.954 4.793 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[C@@H]1C)C(C)C 1760488602 ZTPIWGHYESRNRM-SVFBPWRDSA-N 443.039 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1nc2c(s1)CCCC2 1760491569 LSWWBKWYCVMAQY-UHFFFAOYSA-N 444.608 4.963 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC(C)(C)C)CC1 1760561481 BJTHZNFKXTYSNH-UHFFFAOYSA-N 436.025 4.697 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2CCNc2ncc(Cl)cc2Cl)C1 1761544494 FRAIOMMXPQNBOF-OAQYLSRUSA-N 448.402 4.880 30 10 IJEE Cc1cc(Br)cc2c1N(CCOc1cccc3ccccc13)C(=O)C2=NO 1772728997 ORWBRNAPQIBWJS-UHFFFAOYSA-N 425.282 4.515 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1OCC 1862422514 HGMZBFLWSAVVDQ-NRFANRHFSA-N 445.462 4.749 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(O)c2)c1 1862489553 CHMVZVQWJZRNDE-XMMPIXPASA-N 443.499 4.666 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 1862626680 FSZHUGOPYKMQNL-NRFANRHFSA-N 425.456 4.713 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)ccc1O 1862677470 FSZFTVHGCKSRHU-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)cc2)cc1 1862688406 WBNDOGMCLGVTGO-QHCPKHFHSA-N 433.504 4.870 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(F)c(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863095612 WLRTYLXIEHHZCI-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)c(C)c1 1867091436 NCPIBDTYALDBQA-SANMLTNESA-N 439.515 4.634 30 10 IJEE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(C#N)cc2)nc(-c2cccnc2)n1 1868575563 JCLCDNKKOJWRTH-DEOSSOPVSA-N 436.523 4.637 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(Cl)cc2)cc1OCC 1870153474 VSMVWQNIBQAPNF-UHFFFAOYSA-N 439.903 4.622 30 10 IJEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870301951 ACFZZKAFFSOXLM-UHFFFAOYSA-N 449.963 4.872 30 10 IJEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CNc1ccc(C)cc1C 1870832288 DCAWFPWLKXQKLC-NRFANRHFSA-N 445.563 4.519 30 10 IJEE N#Cc1ccc(COc2cn(CCCCCCO)c(CNc3ccc(F)cc3)cc2=O)cc1 1871254841 HAWIUSXXVNMLBO-UHFFFAOYSA-N 449.526 4.603 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccc(NC(C)=O)c3)c2C)C1=O 1871365139 PCTCXEQBKOMCNA-UCQKPKSFSA-N 443.455 4.797 30 10 IJEE CCOC(=O)CCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871392809 UOCNXLKLTCGXRI-JCMHNJIXSA-N 437.536 4.691 30 10 IJEE CCOC(=O)C1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(C(C)C)cc2)C3=O)CC1 1871395211 KTFRMZWPNAKTBR-IWIPYMOSSA-N 449.547 4.907 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc(F)cc4)ccc3C2=O)cc1 1871401197 WFGBDCMRTZDBAS-KSJDGYIASA-N 433.435 4.857 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(OC(F)(F)F)cc2)[nH]c(N(C)C)n1 1871573239 GURRHOAKMIBEBI-UHFFFAOYSA-N 426.487 4.774 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871776247 MNXCKCZJMLHPPB-XMSQKQJNSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872054137 DSVOZVUIXKJBOP-QFIPXVFZSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1872261673 LVMJGLDWOYWRDP-SFHVURJKSA-N 444.981 4.771 30 10 IJEE COc1cccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)c1 1872762575 QQORVTQSPUSCAN-XSBJJCPUSA-N 448.500 4.642 30 10 IJEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc(Br)c1OC 1872774658 YGOYUGZRTMIZRR-URWSZGRFSA-N 435.343 4.936 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3ccc(F)cc3)n2)c(OC)c1OC 1872788926 UMCNWYDXRDKVQV-BHMZLHOFSA-N 438.480 4.865 30 10 IJEE C=CCN(CC=C)c1nc(Nc2cccc(N(C)C)c2)c2cnn(-c3ccccc3)c2n1 1873481835 RUUCDAJHPKBGNQ-UHFFFAOYSA-N 425.540 4.804 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C/c1ccc2cc[nH]c2c1 1873504698 IDVAZGHAFASZDN-AFUMVMLFSA-N 433.537 4.673 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1873792949 VJWRCZYDRZPECK-BRJLIKDPSA-N 439.302 4.677 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc3c(=O)n(-c4cccc(C(F)(F)F)c4)cnc3c2)cc1 1873867611 VKHBHVUKSKXVCP-UHFFFAOYSA-N 434.377 4.528 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1cc(Cl)ccc1O 1874227213 UNHJZWIOYNWOGY-YDZHTSKRSA-N 444.944 4.775 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874300482 REJWPBFKCGTOFL-LPYMAVHISA-N 425.514 4.766 30 10 IJEE O=C(CSc1nnc(CCc2ccccc2)n1/N=C/c1ccccc1)Nc1ccccc1 1874396610 LUGBRBUDAORSTC-NLRVBDNBSA-N 441.560 4.676 30 10 IJEE COc1cc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2)ccc1O 1874412389 LXTXGLRVQCDVMA-OEAKJJBVSA-N 436.562 4.819 30 10 IJEE CCCOc1c(/C=N/n2c(COC)nnc2SCc2ccccc2C)cccc1OC 1874500432 RWHRHYSZMHCJDZ-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2ccc(Cl)cc2)cc1OC 1874503253 YKRASAKLMFVYSH-FSJBWODESA-N 446.960 4.660 30 10 IJEE Oc1nc(CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)nc2ccccc12 1874520903 QKSHBPBJCCRFGA-FOKLQQMPSA-N 436.928 4.632 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2CCc2ccc(Cl)cc2)cc1OC 1874566019 GOUPZHISCGVVNI-OEAKJJBVSA-N 430.961 4.685 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCc2ccc(C(=O)OC)o2)cc1 1874577712 BIWGEZFJYTVJMW-GXDHUFHOSA-N 436.460 4.949 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cc(C)ccc1C 1874580354 JVYYFXZMWGEOSK-VQHVLOKHSA-N 430.342 4.867 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 1874611870 WMMQXEUBAHFQEW-XYOKQWHBSA-N 434.404 4.987 30 10 IJEE CCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(O)cc1 1874664462 LAFZZCISMLBXLF-VWLOTQADSA-N 449.595 4.968 30 10 IJEE COCCC(=O)Oc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)c(Br)cc1OC 1874713735 LRFBUVPYIYBAFV-BQYQJAHWSA-N 447.325 4.913 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1cnccn1 1875123561 SDULKWRHTZXBFY-AATRIKPKSA-N 429.259 4.907 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 1890102750 LSGOFFRALYNWBF-UHFFFAOYSA-N 436.581 4.576 30 10 IJEE Cc1ccc2c(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)cc3c(C)cccc3c2c1 1891865626 WAKHHIIBKLVNJZ-IBGZPJMESA-N 436.515 4.955 30 10 IJEE C[C@@](CC(=O)O)(Cc1ccc(C#N)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951848780 OETCQNJMWLZWES-MHZLTWQESA-N 440.499 4.873 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)CC1 1984690659 NQLWKMPXDOHROV-CLOONOSVSA-N 445.563 4.702 30 10 IJEE C=C1C[C@H]1C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 1996705242 NMWORRAPHBXACB-GOTSBHOMSA-N 427.633 4.880 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2013354725 MPRMJCPYPKTWMX-LEWJYISDSA-N 434.541 4.607 30 10 IJEE Cc1ccc(CN(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C#CCCO 2034748240 CIXKAQQFDSNEER-UHFFFAOYSA-N 426.604 4.863 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Cl)c(Br)c1F 2036362744 OEPRMVKZYSGQBF-CYBMUJFWSA-N 434.737 4.605 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)ccc(Cl)c1F 2037660410 VHEASHXXCAPOHA-CZUORRHYSA-N 433.749 4.809 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)cc1F 2079111994 NGJOKOROSVCZOF-AAWXNRKFSA-N 441.288 4.866 30 10 IJEE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c1N 2079955410 AIMWDQBEKKJVBY-CYBMUJFWSA-N 439.331 4.818 30 10 IJEE Nc1c2c(nc3c(-c4cccc(C(F)(F)F)c4F)c(C(F)(F)F)nn13)CCSC2 2081478563 OQFWVVJUYBXWNP-UHFFFAOYSA-N 436.356 4.945 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(F)c1F 2102878674 BHOSNLKGRMHQCB-YOEHRIQHSA-N 431.321 4.685 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)c1cc(Br)cc(F)c1C#N 2118151290 OADWNMBUGGDELV-YVEFUNNKSA-N 426.330 4.542 30 10 IJEE CCN(c1cc(Br)c(C#N)cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2118191516 GFIBNVQETRRFIX-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2118194421 LKYWMIZJBZBXQZ-MLGOLLRUSA-N 426.330 4.589 30 10 IJEE C=CCC1(C(=O)NCc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2124499201 HRYQFJOBDCZRHQ-UHFFFAOYSA-N 443.769 4.532 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2cc(Br)ccc2C#N)CCC1(C)C 2193421499 LAJHSHACSMEGAG-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2224101559 JEUOIRYPQFKUHQ-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229133656 MXMHIPRCJRMAAT-QZTJIDSGSA-N 441.486 4.907 30 10 IJEE C[C@H](C[C@@H](O)C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235741044 AWVNKURWQPVUDN-NEWSRXKRSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255615087 JDOQSFUEXYKAPH-UHFFFAOYSA-N 434.317 4.984 30 10 IJEE C=CCCC1([C@H](N)c2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2266298351 IUHQUTZWWOXAJY-MRXNPFEDSA-N 431.321 4.930 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2267563254 MZRYWFJWYAHEDP-HDICACEKSA-N 444.381 4.565 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2289688098 RIAATCDYQSMVQJ-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@@H](O)C#Cc1cccc(Br)c1 2296220968 DNOOFFHNVHDRSD-UXHICEINSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC[C@H](N)C#Cc1ccc(Br)cc1 2296297565 AHAYZSTURMSXCV-MISYRCLQSA-N 435.406 4.992 30 10 IJEE CC1CC(CS)(COc2cc(Br)cc(I)c2)C1 2301014817 IBQDWRUBZDLKAP-UHFFFAOYSA-N 427.145 4.779 30 10 IJEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301441156 SJOFOYPSEGMGCL-XPWALMASSA-N 428.617 4.904 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 2306623707 RJUFAQRLWWYWHD-DQEYMECFSA-N 428.573 4.699 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=NN=Cc2ccccc2)N1Cc1ccco1 2314819132 TXQREQVJSCJSGU-UHFFFAOYSA-N 432.461 4.694 30 10 IJEE N#Cc1ccc(N)cc1Sc1cc(I)ccc1Br 2316465280 KHXYGKMOYLXMIM-UHFFFAOYSA-N 431.096 4.659 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317336665 YPFIFSHPZGZSPP-CONOYDDESA-N 430.354 4.551 30 10 IJEE CCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC12CCC2 2321746989 KSMJLNQXDLQYRT-XCZPVHLTSA-N 430.640 4.683 30 10 IJEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCCCN2CCCC2)C4)cc1 2322119091 ZCCMSLJHLJSWLA-UHFFFAOYSA-N 432.564 4.948 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)OCC(C)C)cc1Cl 2322981201 KCQZKNWEMQNPHL-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)COc4ccc(C)cc4)cc(C)c3C2=O)c1 2323195561 UMLJSCKXHUNWBK-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 2323473313 KILAYHADLQBNFX-TVZXLZGTSA-N 442.600 4.945 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4cccs4)ccc3C2=O)cc1 2323517564 CXHKWJPJTIUIGS-UHFFFAOYSA-N 432.453 4.770 30 10 IJEE COc1cc(C=C2Oc3cc(OCc4ccc(C#N)cc4)ccc3C2=O)cc(OC)c1OC 2324756688 HGOGANSQSUPPCC-UHFFFAOYSA-N 443.455 4.779 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2325119066 WBMLPDYLPSBEIO-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1c(F)cccc1Cl 2327861095 ZFKYQVDFAKQWCV-CQSZACIVSA-N 449.983 4.735 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1N=Cc1ccc[nH]1 2328229788 DARSKQFGQYDNDD-UHFFFAOYSA-N 433.537 4.677 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2329029867 GNBRVCTXFGUVBH-LJQANCHMSA-N 439.629 4.850 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(Cl)cc1 2330431684 ZNAXQBZRNCCBIA-UHFFFAOYSA-N 449.001 4.757 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2[C@H]2CCCO2)cc1 2330929572 KWPRZWCZFCXMEM-OAQYLSRUSA-N 449.580 4.613 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccco2)cc1 2331170473 ZNCGKNMZBORJRH-UHFFFAOYSA-N 449.511 4.853 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1cccs1 2331324419 XDLJFPNFXYKOPT-UHFFFAOYSA-N 427.599 4.858 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccccc1F)c1ccccc1 2331413768 NPSJKBGTGAZPNN-MRXNPFEDSA-N 439.560 4.566 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1 2331540122 KTRQGIKXZVQWEL-UHFFFAOYSA-N 434.419 4.875 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2cccc(F)c2)cc1 2332202651 JHGDONSWJIDJAS-UHFFFAOYSA-N 433.487 4.889 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2358672423 XLWUDVASBUURAC-PIKOESSRSA-N 433.390 4.567 30 10 IJEE CCCCC#CC[C@@H](OCC(=O)O)c1sc(Cl)cc1I 2366709849 MBDXRHZKOBSPTE-LLVKDONJSA-N 426.703 4.732 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)c1 34688269 YMFMIBLQCPOZPG-IUDNYTSFSA-N 428.440 4.939 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)/C=C/c1ccc(NC(C)=O)cc1 109908727 GVVVWGSYRATOAI-IZZDOVSWSA-N 431.305 4.775 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(OC(C)C)c(Br)c2)C2=C1CCCC2=O 169930027 VPWBWQXIKVWQJA-LJQANCHMSA-N 437.403 4.885 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 169955676 HVXJXTPIUQXALU-QFIPXVFZSA-N 447.922 4.580 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc(C)c2)cc1 169968950 KGYSVISJLMDGRQ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccncc1 170022196 MFERVYGXNCHEBM-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc(O)c2)c1 170079041 ZSPQMNWDBSZEAE-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCCOC)c1 170112180 GNQYOUDBHNBBDK-QHCPKHFHSA-N 437.536 4.707 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1cccs1 170160172 LOSACGYARGJDCR-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccncc2)c1C 170203172 KUSCGQDJZKJSLX-UPCLLVRISA-N 440.499 4.805 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)c1 170230624 KOBAIWHMUCNLJY-DEOSSOPVSA-N 442.515 4.895 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc(O)c1 170258080 YFFTWXJROFLKAU-QFIPXVFZSA-N 447.462 4.940 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1C 170269968 VICDDXYKEPRNJD-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccccc1C 170272962 TYCDYHNALGRYET-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccco1 170284381 RSYFUPYXYJEYKZ-HXUWFJFHSA-N 437.835 4.753 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)o2)c1 170304622 OKIQCTYYYAQFCN-CMJOXMDJSA-N 445.471 4.708 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1 170456857 GLBDICZPOJYHGC-QHCPKHFHSA-N 428.488 4.995 30 10 IJEE CCc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C 252636494 XIYZFRPIYLPELG-QGZVFWFLSA-N 446.370 4.602 30 10 IJEE COc1cc(-c2nc3ccccn3c2N=Cc2cc(OC)c3oc(=O)sc3c2)ccc1O 254400448 MZIPPZKMVVPXLK-UHFFFAOYSA-N 447.472 4.643 30 10 IJEE Cc1ccc(NC(=O)c2c(N)n(N=Cc3ccccc3C)c3nc4ccccc4nc23)cc1 254713964 HJFKACRRQRVTRU-UHFFFAOYSA-N 434.503 4.918 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)cc2C1=O 464154451 SISKFKAFUPGMRF-UHFFFAOYSA-N 433.851 4.562 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 510984950 LDCNNQOOXNOLFH-UHFFFAOYSA-N 445.563 4.936 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 526605352 AYQMOTNLUAKJBN-JOCHJYFZSA-N 427.416 4.532 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 576315652 MDAUIQOHJIKOPX-FUDKSRODSA-N 434.540 4.790 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670234519 BHRCFHYPWMTBAR-WOJBJXKFSA-N 438.551 4.788 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(Cc2ccccc2)C(=O)N[C@H]1c1cnn2ccccc12 729662565 VNCKKHNOQOSIMZ-DEOSSOPVSA-N 440.478 4.740 30 10 IJEE CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1ccc(N2CCCS2(=O)=O)cc1 741162737 CWLAEPMGXBLJOX-UHFFFAOYSA-N 428.945 4.573 30 10 IJEE O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)COC/C1=C/c1cc([N+](=O)[O-])ccc1Cl 741446958 DEGBEBXFWPXPAZ-GFIWHYBVSA-N 435.219 4.876 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 744839147 HDRHMHXFLHYDDI-YJYMSZOUSA-N 435.307 4.839 30 10 IJEE O=C(/C=C/c1cn(-c2cccc(Cl)c2Cl)nn1)c1ccc(C(F)(F)F)nc1O 754687072 YXCMOCLCZFKNIR-GQCTYLIASA-N 429.185 4.590 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc(CC)co2)ccc1Cl 774242808 CNTFTTILEOFFDX-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1C 792747573 AOMWWOXNNZIOAI-RBBKRZOGSA-N 447.560 4.570 30 10 IJEE O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1C[C@H]1c1ccc(F)cc1 798278154 FCXKQEVQXXTIOX-LZLYRXPVSA-N 435.339 4.514 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 802556724 YTXUKFGRCWBJDS-UYAOXDASSA-N 443.592 4.861 30 10 IJEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3cccc(Cl)c3Cl)n[nH]2)cc1 1084145589 JMYGWXFCRYKBOD-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(OC)cc2OCCOC(C)C)c1 1125714814 ZOCIVXWGNYSNML-UHFFFAOYSA-N 433.504 4.920 30 10 IJEE Cc1c(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)nnn1-c1ccccc1 1125897945 DSQROXDVRDMQSR-UHFFFAOYSA-N 427.895 4.948 30 10 IJEE COC(=O)[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1CCCCC1 1126987999 BOWNYPQWURVLIZ-OAQYLSRUSA-N 426.900 4.856 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(Cc3ccc(F)cc3)CC2)cc1C 1127607724 GNWHNZPACONXRG-UHFFFAOYSA-N 430.527 4.972 30 10 IJEE C=CC[C@H](C(=O)Nc1cc(C(=O)OCC)ccc1I)c1ccccc1 1132447418 DWELEXHGKXWARK-INIZCTEOSA-N 449.288 4.766 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(Br)cc2)CC1 1136322492 SQPWLDSFYDEDNJ-QGZVFWFLSA-N 437.378 4.804 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 1137840701 AZPQSEVRBPPLOT-KRWDZBQOSA-N 442.903 4.864 30 10 IJEE C#CC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)C[C@H](C)C2)C(=O)OC 1141995202 KWMYJABJXVIAIN-MLVUSXPDSA-N 438.527 4.652 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)s1 1143105925 FMCZPBMNGSTOLK-INIZCTEOSA-N 440.034 4.693 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1144129084 ZTVXDLOXNJYLSN-HNNXBMFYSA-N 426.479 4.566 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)C(C)C 1144197069 CSQOYKVMWWIVTA-LOSJGSFVSA-N 432.564 4.569 30 10 IJEE C=CCC1(C(=O)N2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCCC1 1161787691 YZIGXIFNBHNHIE-NHCUHLMSSA-N 434.621 4.824 30 10 IJEE C=CCn1c(SCc2sncc2Br)nc2sc3c(c2c1=O)CCC3 1164587305 FCWRYTCVKQHMPU-UHFFFAOYSA-N 440.413 4.644 30 10 IJEE C=CCn1c(SC[C@H](OC)c2ccc(F)cc2)nnc1[C@H]1COc2ccccc2O1 1164611003 IGECOHAMSYPZAA-UXHICEINSA-N 427.501 4.596 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CC[C@@H](OC)C(C)(C)C3)c2C#N)C1 1170423203 AJAAGGDBQJNLJP-OXJNMPFZSA-N 431.646 4.846 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1 1178926929 FOGPTHCQZYRALU-UHFFFAOYSA-N 434.353 4.517 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(C(F)(F)F)cc1 1192635141 JJQZERMZHXZHGO-NRFANRHFSA-N 445.485 4.833 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2COc3cccc(C)c3C2)cc1OCC 1203208729 UEIHMRLZKSGCFC-QGZVFWFLSA-N 432.358 4.814 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] 1206203382 PAKWOXFMUUTDJL-CYBMUJFWSA-N 434.290 4.847 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(Br)cc1OC 1226413587 XRSHBTFYKGPIBG-OAHLLOKOSA-N 433.346 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCCN1CCCC 1286276599 XYIRSPFDEKCNGG-AZUAARDMSA-N 445.558 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCOCCc1ccccc1 1286516730 JMENCXDMUOVDIL-RUZDIDTESA-N 449.986 4.635 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 1286622959 NNPHWLFMKFYSTC-OTYXRUKQSA-N 434.140 4.908 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cnn(CC)c2)CC1 1286657137 UKHINNUFHSAQBN-QGZVFWFLSA-N 440.979 4.739 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCN(CCC)C2)CC1 1286657281 WAXQWIAUPLMBSE-CTNGQTDRSA-N 441.595 4.692 30 10 IJEE C=CCCCCn1c(N2CCc3c(F)cc(F)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1286691037 BANVABGXIQTJDY-DEOSSOPVSA-N 446.542 4.516 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](C)N1CCCCC1 1286760760 QVJRKXISPWJLAC-BHDDXSALSA-N 429.653 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCO[C@@H](C)C1 1286765724 INVRLPIFAOOGSY-PMACEKPBSA-N 438.547 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H](c1cccnc1)C(C)C 1300324249 BZJULFIOYMLXMN-REWPJTCUSA-N 431.584 4.712 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(C)CC1CCCCC1 1300861207 BWPJMNTUQQBRCD-UHFFFAOYSA-N 449.393 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cccn(CC)c1=O 1300900005 LLJMLNYBDSMGRT-OAQYLSRUSA-N 449.599 4.667 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1301056412 BCXYPJHTACAQSS-LJQANCHMSA-N 445.976 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1301160942 ZGDBFNXKTCFXSQ-FXAWDEMLSA-N 432.996 4.974 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1301231298 GVUMOEXTNDRXJT-XMSQKQJNSA-N 449.580 4.723 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1301248724 KKBLMOWLMFZNJJ-INIZCTEOSA-N 433.478 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1nc(C)cs1 1301340346 GGWWQCNAVRBRSP-KRWDZBQOSA-N 443.580 4.906 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301601011 LRZJDMZUPNFFHV-CZUORRHYSA-N 446.926 4.674 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS[C@H](C)[C@@H]1C 1301617343 DEIVEDWDFOIXFL-ZWKOTPCHSA-N 427.643 4.531 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(COCC(F)(F)F)c1 1301973249 DRSWVCFEEUIAHZ-INIZCTEOSA-N 437.510 4.590 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1OC 1308332766 DCXBEYNXFXBFOV-FPOVZHCZSA-N 449.364 4.697 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2c(F)cccc2Br)c1 1309152308 RDRHCILTYJLQTM-UHFFFAOYSA-N 444.325 4.965 30 10 IJEE C#CCN(C(=O)Nc1c(F)cccc1SCC)C1CCN(C(=O)OC(C)(C)C)CC1 1310826189 IPHSWUMAEKUZFX-UHFFFAOYSA-N 435.565 4.804 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1321716593 CWJWGSYGKKIVCH-SFHVURJKSA-N 439.972 4.916 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1csc(C(=O)OC)n1)c1ccc(C)c(C)c1 1353404100 PUPSSVPWSNCLLR-UHFFFAOYSA-N 436.533 4.958 30 10 IJEE C=CCc1cc(C(=O)NCC(C)(C)c2ccccc2Br)cc(OC)c1OC 1357156626 HEKHDXRTMNZRJK-UHFFFAOYSA-N 432.358 4.902 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1358875324 NPBWIQCZIHXMBL-DZFGPLHGSA-N 447.608 4.816 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1358882162 UOPVBJAGUSSYJY-ODGPQVTHSA-N 438.616 4.889 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1csc(C)n1 1358896620 IRXZQBNVGWGAAF-GOSISDBHSA-N 437.613 4.754 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1358907377 MSJXMQRSHSMHRM-UHFFFAOYSA-N 449.002 4.686 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1359051591 CKNJRSFMRHOYHR-YLJYHZDGSA-N 433.021 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(F)F)C1 1359103611 QKMGNCZFDVHLRE-FUDKSRODSA-N 444.570 4.916 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1359166343 PFTLRLPTMPUIIR-CPJSRVTESA-N 425.596 4.675 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1359176856 QBVZDJCLXUVYAH-LJQANCHMSA-N 433.522 4.540 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359192039 ULCGIVVEIPAESM-IBGZPJMESA-N 449.640 4.500 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCO[C@H](C)C1 1359197052 BMEOXLVCHOBORR-VIZSFHNOSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1359199762 GXLQTQQUQVHRFJ-QFIPXVFZSA-N 437.632 4.995 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCc2ccc(Br)cc2C1 1359201138 DLALNMUMJZZCNB-UHFFFAOYSA-N 426.362 4.955 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1359209739 XVLVHYIEOFHDAL-INIZCTEOSA-N 431.378 4.679 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359210080 JCJBEWRYLRWKJY-PKOBYXMFSA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)c1cccs1)C1CC1 1359246593 GKQSYHUFXYWRKK-MWTRTKDXSA-N 442.560 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)[C@H](C)CC)C1 1359316663 TWMQSQBZRALXKJ-KCVHQNEMSA-N 440.632 4.821 30 10 IJEE Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1360877589 IACAYSHXDOSETE-UHFFFAOYSA-N 434.471 4.989 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)s1 1434956256 RFLSCGJLQAXJOE-UHFFFAOYSA-N 439.334 4.793 30 10 IJEE C=CCc1cc(C(=O)NCC2(c3cccc(Br)c3)CC2)cc(OC)c1OC 1435200903 YLKTXBUPHNCKNL-UHFFFAOYSA-N 430.342 4.656 30 10 IJEE C#CCOc1ccc(CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)cc1 1436300781 WLVOVJYAAJAJBB-UHFFFAOYSA-N 426.488 4.694 30 10 IJEE Cc1cccc(-c2nnc3n2C[C@@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC3)c1 1436349973 BDSHEJRUKNTMKB-SFHVURJKSA-N 429.524 4.504 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(C)(C)C[C@@H]2C)c1 1436806348 QSFQDKLGBRHQGA-KRWDZBQOSA-N 447.000 4.982 30 10 IJEE CN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(C#N)c(Cl)c1 1438270967 DYPOVPWVPFGNEQ-UHFFFAOYSA-N 430.895 4.803 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)CC#N 1443566893 CUAZXIRBOUPOHV-UUOWRZLLSA-N 431.536 4.620 30 10 IJEE COc1ccc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(OC(F)F)c1 1458402124 BBWOTPWIXCPJRS-CQSZACIVSA-N 441.299 4.931 30 10 IJEE CCc1ccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nc3ccccc3c2=O)cc1 1458789885 ASHSFBPTIYKLBM-JOCHJYFZSA-N 439.540 4.917 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccccc1 1463273771 XDRYNYJKMPPJDV-LJAQVGFWSA-N 426.416 4.651 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2(Cc3ccccc3)CCC2)nc1C 1464909106 AKCVUSMUJDYVCM-UHFFFAOYSA-N 425.583 4.536 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 1464913355 GFLRQISBPLHFIC-CQSZACIVSA-N 436.371 4.933 30 10 IJEE C=CC1(CC(=O)Nc2cc(F)ccc2OCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1465663194 YDFBGVOBUBISPM-UHFFFAOYSA-N 432.414 4.519 30 10 IJEE C#CCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C(C)C 1472922743 ACSHMSRPMHPZRY-MRXNPFEDSA-N 438.984 4.941 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCCO[C@@H]2C(C)C)cc1OCC 1474027534 GJJQEPITQSZDBJ-YLJYHZDGSA-N 426.395 4.953 30 10 IJEE C=CCn1ncc2ccc(NCc3nc(Br)c(Br)n3CC)cc21 1474730386 SMKNBMUAJZRYCX-UHFFFAOYSA-N 439.155 4.576 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1477593898 PMYADYVNSGXQGW-WIOPSUGQSA-N 449.595 4.989 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(Cl)s1 1507522169 BDMZZXANHODYAG-OAHLLOKOSA-N 444.988 4.962 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1507580790 KWLCMRSYHZXBEW-FQEVSTJZSA-N 449.002 4.508 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CC1CCC(C(F)(F)F)CC1 1507698823 QRJAXKZKFFECDE-UHFFFAOYSA-N 438.469 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCNc1ncc(Cl)cc1Cl 1507816762 GCMAHCGIMPKTCY-QGZVFWFLSA-N 439.391 4.736 30 10 IJEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1507846942 CGIRRERTWPTCRG-UHFFFAOYSA-N 445.489 4.642 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 1507849027 UARBJQABSNQAQM-QFIPXVFZSA-N 449.580 4.724 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCCCCOC)CC1 1507899029 ZKEIRYQNLSUSLU-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(C)=O)CC1 1507926474 RTKVWMMOUMVOSA-UHFFFAOYSA-N 444.004 4.838 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCCCC1 1507929473 QVNIUAKPOKLLAQ-UHFFFAOYSA-N 426.561 4.552 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1Cc1ccnc(OC2CCCC2)c1 1507986113 USVZOKNKTNEDOE-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCCO1)C1CC1 1507989276 YZRBIXNBUZXRNH-MRXNPFEDSA-N 435.341 4.571 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCCCC1 1508005456 QSEVBFXPQYJJSO-UHFFFAOYSA-N 436.579 4.869 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccsc1 1508005691 UUSIAWXQSMKRTL-HSZRJFAPSA-N 428.577 4.877 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCC=CO1 1508033436 MJGWMWRTJLOQQI-IBGZPJMESA-N 440.494 4.668 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](COCC)C1 1508103658 DMLYTUMVQFAIGW-FQEVSTJZSA-N 436.556 4.713 30 10 IJEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2OC2CCCC2)n1 1511071320 DHAMSRWAYSOHHZ-GOSISDBHSA-N 430.556 4.614 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CC1(NC(=O)OC(C)(C)C)CC1 1520237381 VUVYCTSJVOQMKZ-UHFFFAOYSA-N 441.341 4.550 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)c1ccccc1 1522560323 JCLLZIRABSCWEI-NRFANRHFSA-N 426.582 4.823 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 1525419448 AQIQWPYDBCCUGT-GCJKJVERSA-N 430.390 4.625 30 10 IJEE C#CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 1529626172 ADPHAMIHFDJOHB-IERDGZPVSA-N 442.353 4.937 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 1530533723 KRIJRFCNFGNOCI-AWEZNQCLSA-N 439.762 4.805 30 10 IJEE CC(C)[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)c(F)c1 1534154502 GFCKHMGYKZISEP-VFNWGFHPSA-N 432.854 4.783 30 10 IJEE C[C@@H](OC(=O)COc1cccc(Br)c1C#N)c1cccc(OC(F)F)c1 1536101211 AYAOLCCHGGPMNH-LLVKDONJSA-N 426.213 4.605 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3ccnc(-c4ccc(Cl)cc4)n3)n2)c(Cl)c1 1536591930 DWYWVARCLRZJCE-UHFFFAOYSA-N 435.274 4.760 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1537317086 LMTQVYZTTRXWEM-GBXCKJPGSA-N 437.580 4.940 30 10 IJEE COc1ccc(-c2nc(COC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)cs2)cc1 1538831140 GNTMVNIYRWCLHV-UHFFFAOYSA-N 430.489 4.542 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1c(C)noc1C 1539102222 CYQOUMDNZNOEAP-UHFFFAOYSA-N 445.523 4.772 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1C[C@@H](F)c1ccc(Br)cc1 1539295743 FARJIZFWQFDBHR-QFBILLFUSA-N 431.353 4.728 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CC(F)(F)Br 1539538721 MDUZSKIXJHDUGQ-VQIMIIECSA-N 437.332 4.800 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(COC)CC1 1539624884 WVDOSKOQZKHQQK-UWJYYQICSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)OC 1539659377 VFXQTERRXGVLGO-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCN2CCCC[C@@H]2C)CC1 1539855632 AHZDIOCYFOXBLN-QHCPKHFHSA-N 437.632 4.977 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccccc1 1539947072 HSLURIDLCCQEII-AVRDEDQJSA-N 436.522 4.730 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1539971389 FVNMHQQBSTUGSO-UHFFFAOYSA-N 430.600 4.564 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(C)(C)C)CC1 1539981676 IHTZGGGBOSNKHV-FQEVSTJZSA-N 441.620 4.704 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1539999544 MIQHKQZQFXTGKR-UHFFFAOYSA-N 439.510 4.941 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CCOc1ccc(Cl)cn1)C1CC1 1540102503 XRPUDHICCTYHHA-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE CC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1543837260 HMQZMFMKXCAKSV-KWLQHXCVSA-N 434.632 4.952 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(C)ccc2n1-c1ccc(C)cc1 1544736445 GYPJAOLDQSCKQD-HXUWFJFHSA-N 446.551 4.888 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)CC 1545743315 HQVOSHBBHYKHKX-OAQYLSRUSA-N 444.583 4.791 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccsc1Br)C(C)C 1547350825 GLTIJPFEAQEPKG-UHFFFAOYSA-N 430.375 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1556395377 WLJAWTQMBYTLMH-IRXDYDNUSA-N 428.451 4.650 30 10 IJEE C=CC1(CC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1556396113 GPGAHBNJAUVSQT-WMLDXEAASA-N 425.356 4.779 30 10 IJEE C=CCOc1ccc(CNC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)cc1 1563953385 KTSKMKQQQVSNHG-OAHLLOKOSA-N 435.387 4.994 30 10 IJEE C=CCC1(NC(=O)N[C@H](C)CCc2ccc(I)cc2)CCCC1 1564690192 WRPVOCAVAKYRDU-OAHLLOKOSA-N 426.342 4.800 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1565063567 PKZQIRSKXOERTJ-WBVHZDCISA-N 440.466 4.580 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1586954728 UGSZMNHDSHOSGV-MRXNPFEDSA-N 425.367 4.733 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CC(C)C 1587765857 LXQRWLWEGHWFJL-UHFFFAOYSA-N 431.625 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1589558088 JSGPDQWEGVCKFZ-CDXJDZJCSA-N 429.634 4.737 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CCC[C@H]21 1593630721 LMARPNJMBKLIAQ-AZUAARDMSA-N 429.609 4.738 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1593900546 NXPNHSYXEAIRMW-FQEVSTJZSA-N 428.989 4.869 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(OC)OC)c2)CC1 1594408687 NDGWQDTXPLVRPJ-UHFFFAOYSA-N 438.597 4.673 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(C)no2)CC1)c1ccccc1 1594534544 MBOGYUGOWIDOLS-OFNKIYASSA-N 448.615 4.770 30 10 IJEE N#Cc1c(NC(=O)Cn2cnc3cc(Cl)cc(Cl)c3c2=O)sc2c1CCCCC2 1613825710 CDYNYYGSXYIKJN-UHFFFAOYSA-N 447.347 4.544 30 10 IJEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@@H]2C)ccn1 1617463091 HNVKAICFLNSCBF-ROUUACIJSA-N 448.596 4.519 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cc1 1622101798 SUTJFXPTCOQYSJ-FDDCHVKYSA-N 436.618 4.557 30 10 IJEE COc1ccc2c(c1)CC[C@H](NC(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)C2 1623023823 FQSGFTOSGHURLJ-NRFANRHFSA-N 445.494 4.964 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CC)[C@H](CC)Cc3ccc(C)cc3)ccc2c1=O 1629916973 JYKTVNBJGMFADP-HXUWFJFHSA-N 435.593 4.663 30 10 IJEE C#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2 1636838642 GSDHHLDEZHZTMI-UGEDRFTOSA-N 434.898 4.628 30 10 IJEE C=CC[C@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1ccccc1 1636979416 NMQOCMNAMSAAJO-VQTJNVASSA-N 425.878 4.994 30 10 IJEE C#C[C@H](CCC)NC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1640080855 AJRMRAWDVPKRDR-HXUWFJFHSA-N 430.548 4.566 30 10 IJEE C=CCn1c(SCCN2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccc(Br)cc1 1640709689 PPLQTRHNKJWZDR-HOTGVXAUSA-N 435.435 4.964 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(Cc2ccccc2F)CC(C)C)n(Cc2ccco2)c1C 1641621562 ICURMMUUZQFPTO-UHFFFAOYSA-N 436.531 4.854 30 10 IJEE C=CCOc1ccccc1CN(Cc1nnnn1CC(F)(F)F)c1ccc(C)c(C)c1 1642222541 KKNGVEYDUCIECK-UHFFFAOYSA-N 431.462 4.624 30 10 IJEE C#C[C@H](NCc1csc(=Nc2ccc(OC)cc2)n1[C@@H](C)c1ccccc1)[C@H]1CCCO1 1642791584 OLOKSNLFQAMSNH-PNTFMKQHSA-N 447.604 4.670 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCc3cnc(NC(=O)OC(C)(C)C)s3)cc2n1 1645275985 OBGALKNYPWEKKI-UHFFFAOYSA-N 427.530 4.597 30 10 IJEE CCCCS(=O)(=O)Nc1ccc(Nc2cc(Br)c(C#N)cc2F)cc1 1650769081 HSGOVBBMHZODKI-UHFFFAOYSA-N 426.311 4.745 30 10 IJEE CCCc1c(Nc2cc(C(F)(F)F)c(C(=O)OC)cn2)cnn1-c1cccc(C#N)c1 1651762809 ATQDBWYSLMPIRF-UHFFFAOYSA-N 429.402 4.640 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2Br)nnc1-c1ccccc1 1655981299 CJSXSWZHFQCZDV-UHFFFAOYSA-N 444.354 4.973 30 10 IJEE CCN(C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 1657036756 GIVQYGKLXMDFBK-LVXARBLLSA-N 447.604 4.969 30 10 IJEE C=CCN(CCc1ccco1)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC 1658606797 YKELJEBENFLPDZ-UHFFFAOYSA-N 434.323 4.789 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)C1 1660118033 IXSLKQDDTPZHHE-JOCHJYFZSA-N 426.564 4.748 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cc1F 1661494699 GNPGMLLRIHQISK-UHFFFAOYSA-N 440.462 4.750 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 1662653511 ASVZOTAILWUJKD-UZLBHIALSA-N 448.972 4.541 30 10 IJEE O=C(NCc1nc(C2CC2)no1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1662958758 HQQAYDRCYHGEOR-UHFFFAOYSA-N 426.292 4.558 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1 1664994321 DCIJXXQZXVYGMX-NRFANRHFSA-N 449.523 4.578 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCCC)Cc2c(C)oc(C)c2C)cc1 1665969876 SFUTWWYGXDVNBS-UHFFFAOYSA-N 447.601 4.846 30 10 IJEE C=C(C)COc1cccc(NC(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)c1 1666773502 QBRZHTWPWABAQO-UHFFFAOYSA-N 425.529 4.988 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CC=C(c2cccc(Br)c2)CC1 1667563376 VJPQPDSQEQYJAG-UHFFFAOYSA-N 429.289 4.921 30 10 IJEE CSc1cccc([C@H](NS(=O)(=O)c2cccc(F)c2C#N)c2cc(F)ccc2F)c1 1667649149 AHDBWRQLZPTFBV-NRFANRHFSA-N 448.491 4.765 30 10 IJEE CC(C)c1ccc(C[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)cc1 1668442671 HFWMGTUZQVHBCJ-QGZVFWFLSA-N 436.499 4.954 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2cc(Cl)cc(Br)c2OC)CCCC1(C)C 1668915608 PEVJESMXBVQPIR-HNNXBMFYSA-N 436.799 4.867 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cc1 1670211891 TURQMJUKACVAGJ-UHFFFAOYSA-N 445.382 4.796 30 10 IJEE CCCc1c(NC(=O)N[C@H]2C[C@H](c3cccc(OC)c3)C2)cnn1-c1cccc(C#N)c1 1670351777 AZEAUIJTQGEGLG-MXVIHJGJSA-N 429.524 4.773 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CCCN(C)Cc1ccco1 1672709007 YXLVMVSAOKTGOW-UHFFFAOYSA-N 436.350 4.593 30 10 IJEE C=C(C)c1cccc(NC(=O)N2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1675382050 VPUDRRSQOABTDH-GOSISDBHSA-N 429.561 4.742 30 10 IJEE C=CCc1cc(CNC(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)cc(OC)c1OC 1677641352 MFAMXKAMPQCYMU-UHFFFAOYSA-N 426.532 4.881 30 10 IJEE C#CCN(C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1)[C@@H]1CCCc2ccccc21 1678504784 OKKZUGYVFBPXEP-XZOQPEGZSA-N 449.620 4.524 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(Br)c(F)cc2C1)c1ccc(Cl)cc1F 1683690385 ZIRXIKDDQYLNRT-GOSISDBHSA-N 439.687 4.823 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@]1(C)OCCc2ccccc21 1687435555 BCICHLORTQZOHD-QFIPXVFZSA-N 447.348 4.774 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CCC)CC1CC1 1690247775 FVZATOGUYBHQHN-WZONZLPQSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1690258709 QPNQMTQFFYZDCL-CYFREDJKSA-N 440.592 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1690272903 YEIVYFXIQBKEKO-OAQYLSRUSA-N 437.519 4.907 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1690289507 CPUOLVSNEOEBLJ-NHCUHLMSSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1690428118 FCXBAXJIKCDOLN-AREMUKBSSA-N 431.584 4.657 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCOC[C@@H](C2CCC2)C1 1690434674 CDZHGOUMUFUBOE-QFIPXVFZSA-N 438.616 4.733 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1690529779 AIIZKIGAGKSYBE-NFBKMPQASA-N 437.613 4.732 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1690611724 XNWKXZZSXVXLRL-FGZHOGPDSA-N 426.605 4.691 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H]1CCO[C@@H](C)C1 1690992975 CKCKSHSUIDGIHN-XWSJACJDSA-N 445.995 4.873 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1C1CCCCC1 1692659748 AAMJVDVNXURZSN-XUZZJYLKSA-N 434.632 4.599 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@H]1CC 1705526644 MXXKCRWCWJEPGK-HNAYVOBHSA-N 431.378 4.754 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCCCN1CCCCC1 1705595192 JRLFQOVNZAMWNJ-UHFFFAOYSA-N 442.611 4.546 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H]1CCSC1 1705664303 MERUVSGDHWRPLY-LJQANCHMSA-N 444.670 4.597 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccco1 1705670318 PKYRMUSYSIAXNW-HXUWFJFHSA-N 445.748 4.994 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCC(OCCc2ccccc2)CC1 1705680718 FXZLOSZUVAMMQQ-QGZVFWFLSA-N 447.421 4.928 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1705763825 GGDCGXTXYCNBPE-APWZRJJASA-N 448.409 4.787 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(Oc2ncccc2F)CC1)c1ccccc1 1705796718 JFPUEZWTMHPQOM-HXUWFJFHSA-N 435.547 4.782 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@@H]1C(=C)C 1705835646 PYSMOMAFSVRXPM-WOJBJXKFSA-N 435.597 4.980 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1CCN(CC)C(=O)OC(C)(C)C)C1CC1 1705852488 TXJPXANOCXUODP-UHFFFAOYSA-N 425.577 4.665 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705887329 ZCHCCYGAZHWDCV-NSHGMRRFSA-N 430.980 4.880 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCO[C@@H](C)C1 1705942568 XBFBBMNUWGBFSV-SJORKVTESA-N 432.659 4.666 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705947661 UAKLJJOLNSRUMW-FPOVZHCZSA-N 426.630 4.813 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722520794 MGSHGJCOYVUOQX-UHFFFAOYSA-N 441.645 4.546 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@H](C)C1 1722529776 CAYYLDXFIXKUHB-IBGZPJMESA-N 428.577 4.572 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722606797 IATHUIDSLBUJQT-UHFFFAOYSA-N 426.952 4.611 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1722611585 MCXMKLXWOUIKHW-UHFFFAOYSA-N 431.565 4.944 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1722632155 JNBQGTKXWHBGCD-CZIWCDLHSA-N 430.325 4.916 30 10 IJEE C=CCOc1ccc(Cn2c(C3CCCC3)nnc2N(C)Cc2c(C)nn(C)c2C)cc1 1722705185 ACJSADCTLOSRMX-UHFFFAOYSA-N 434.588 4.536 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccs1 1723988003 FJRCGYGADFQMLJ-QVKFZJNVSA-N 445.951 4.818 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N(C)Cc1ccc(Br)s1 1740594802 XXPSKHFGEGPHCR-UHFFFAOYSA-N 443.414 4.937 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC1(C)C 1740650323 WKQGYJISHAGZRG-HNNXBMFYSA-N 445.792 4.870 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2cscn2)nnc1C1(c2ccccc2)CCC1 1740749400 UITARMYWSMTNCJ-UHFFFAOYSA-N 444.402 4.750 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(C)c1 1740778775 DSMXLWCDIPZOGG-KRWDZBQOSA-N 428.968 4.634 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](CCC)C1 1740804731 GMZWSOKAINJQNN-LBPRGKRZSA-N 431.787 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1740820833 SZCWKDNRALGZCF-JOCHJYFZSA-N 435.572 4.786 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1740837980 BYDJFFPYNQIAST-NHCUHLMSSA-N 430.980 4.963 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccn2C)n1Cc1nc(C(F)(F)F)cs1 1740854877 AIFQFXLHEPINSM-UHFFFAOYSA-N 438.523 4.990 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2)C1 1740857909 DWHUAMZCPYUFDW-LEWJYISDSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740858162 KFKLTVQPPCQSER-YSIASYRMSA-N 446.979 4.606 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(COC)CCCCC1 1740894504 WUCLNXHJBIPWES-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1Cl)N(C)C 1740905025 HHHXAMZYWPNPMB-HLAWJBBLSA-N 446.039 4.775 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C 1740933645 AKAOTVHZRVCPJR-LNRXMEIDSA-N 430.637 4.826 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1CC(OC(C)(C)C)C1 1741136008 HLMGUQAZSPUWAB-BEQLGVGBSA-N 445.652 4.776 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1741409054 AMKJQTVWLVCZHM-LEDOBFOHSA-N 427.980 4.790 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC#N 1741415285 BPIOYQAMBZELCS-GUXCAODWSA-N 433.959 4.927 30 10 IJEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1747778427 FMDBMZFYOKHRHF-FGZHOGPDSA-N 433.556 4.887 30 10 IJEE CN(CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)C1CCCCC1 1747924582 FPGDZTMJPVCGHO-UHFFFAOYSA-N 441.023 4.993 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCCC1 1749054992 CCNJCIWVDAFYID-OAQYLSRUSA-N 443.389 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1749071577 JMNBNGNSYWZOSW-UXWDXCIHSA-N 447.671 4.928 30 10 IJEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ccc(C)o1 1749091647 BZKGIOQYOWAVCQ-UHFFFAOYSA-N 438.329 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)s1 1749129246 BUEGEWKDBHAXOF-FCEWJHQRSA-N 437.009 4.505 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)COCC)CC1 1749293686 DQJFSXLTVQZZJY-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@H](CC)C1 1749368284 GDMFJWBQSZRDEC-XLIONFOSSA-N 428.602 4.725 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 1749385235 PFFWPJQUYGQWIG-OTNCWRBYSA-N 444.627 4.543 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C)CC1 1749398233 AOGPAFYLPZSXQV-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1749532548 XLKUHXVFSNJBNQ-LADGPHEKSA-N 443.551 4.892 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](OCC(C)C)C1 1749642634 XYYQVXULBJZDID-INIZCTEOSA-N 425.360 4.601 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@@H](C)C1 1760244330 QRMXZGPYCUXLJV-UYAOXDASSA-N 449.624 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1C 1760320057 VZHXMLSOOXFLIU-DOXZYTNZSA-N 449.368 4.817 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCCc1ccccn1 1760367327 HJZMUKRMWRDHCL-UHFFFAOYSA-N 433.890 4.763 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](OC)[C@@H](C)CC)CC1 1760385798 YWDZXOWFISFDGI-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1760410783 QNLRLFUSYVWOGM-QHCPKHFHSA-N 447.583 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnn(C)c1C 1760414969 KBAMSLSTVAZQBV-UHFFFAOYSA-N 431.588 4.562 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC[C@H]1CCO[C@H](C)C1 1760478680 OVRPXGJRZSMCLZ-ZRCGQRJVSA-N 440.588 4.536 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl)C(C)C 1760489928 MXRANZYLDGULBR-DBXWQHBBSA-N 440.463 4.559 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CC[C@@](C)(CC)O1 1760498698 BLYMYSIOTYGELP-ZEQKJWHPSA-N 431.584 4.923 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1760508998 BQPBUFWATPJSHW-OAQYLSRUSA-N 440.588 4.572 30 10 IJEE CC(C)(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCS1 1760763057 DOPZNYHTCLMHIY-SFTDATJTSA-N 439.629 4.602 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCCS1 1763709873 CLNUXLMCTNJFFZ-CTNGQTDRSA-N 438.645 4.666 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1 1859555165 ABWWMYNJJMOASE-UHFFFAOYSA-N 435.549 4.993 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)COc1ccc(C)cc1C(C)(C)C)c1ccccc1 1862173159 ZFOGBZMNRCDEOY-RUZDIDTESA-N 434.580 4.729 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccn2)cc1 1862414109 RRXPKCDMMAHUPY-QFIPXVFZSA-N 434.442 4.701 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCC)c(OC)c1 1862438698 DGRVKEVEMJIREJ-HXUWFJFHSA-N 427.884 4.512 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 1862468539 QXHYUWOHEZDWPZ-KZULUSFZSA-N 432.289 4.965 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(C)c2)cc1 1862589345 JMDWJDYOOGFHLS-XMMPIXPASA-N 427.500 4.830 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862610969 YOBHLPITHDALDQ-QHCPKHFHSA-N 449.547 4.990 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862630709 ABIAYMWEGKAIDD-QFIPXVFZSA-N 435.520 4.947 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862688094 SXWVTPWQDJUCPR-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 1862688776 AORQYSMBSYTJLX-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)c(O)c2)c1 1862700811 PHLSBHNBRBBWBV-QHCPKHFHSA-N 449.503 4.575 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862748452 BOVPSLYHJFLLSN-HSZRJFAPSA-N 442.471 4.936 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 1862827559 UUDDAIRFOKPHFV-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CCC)CCC)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863243998 ZJLAWRXRPVTOIB-UHFFFAOYSA-N 448.523 4.599 30 10 IJEE CCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(OC)cc2OC)C1=O 1863752423 GUTFDYVZOHRBGQ-UHFFFAOYSA-N 430.589 4.780 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccc(C(C)(C)C)cc1 1865125893 VZUMYBFDJBVIRJ-JOCHJYFZSA-N 448.611 4.794 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](NC(=O)c2c(F)cccc2Cl)c2ccccc2)cc1 1867931599 RHBRPYAJDZVAEK-IRLDBZIGSA-N 435.886 4.640 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868268753 VOBCPVXCXXGYFV-OAQYLSRUSA-N 441.535 4.823 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nc(-c2cccnc2)n1 1869371104 DRYGEXHMTGOQIT-JOCHJYFZSA-N 447.970 4.948 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)CCCOc2c(C)cccc2C)c(C)c1 1870105678 DGFDUHBJAGPMOW-UHFFFAOYSA-N 431.540 4.538 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CSc1ccc(C)cc1 1870196562 LNOBRBZRYXPANF-UHFFFAOYSA-N 434.561 4.961 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870414576 RJWNNAWULKJJHQ-OYRHEFFESA-N 444.591 4.994 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCCC1 1870500557 QVZBODYPAPJWEI-UHFFFAOYSA-N 445.648 4.586 30 10 IJEE COc1ccccc1/C=C1\Oc2c(CN3CCc4ccccc4C3)c(O)cc(C)c2C1=O 1871394847 TXVGDETXLPBZLA-OYKKKHCWSA-N 427.500 4.884 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871405719 GJSJAMOHOBGQJA-YOBACFSGSA-N 444.443 4.925 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H](C)CC)S(=O)(=O)CCC 1871959187 LGSXPULCSUDGPB-RDTXWAMCSA-N 435.417 4.965 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccccc1 1872103402 SUCWGHBZTXKKFC-JOCHJYFZSA-N 425.554 4.542 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1872297125 AOAHSTCMBZAELQ-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1Cl 1872763753 UDTDPNJGKBHLNC-MRXNPFEDSA-N 427.869 4.935 30 10 IJEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccn1C 1874192995 UIZYQFCZFFHAAO-OEAKJJBVSA-N 431.993 4.893 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1OC 1874216495 SYLRIVSUQICPHB-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(F)c1 1874369656 LCOXUXCVDUKNPZ-FSJBWODESA-N 432.908 4.665 30 10 IJEE CCCNC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874393010 ARYWACQIGFVOSP-FRQJIFLKSA-N 441.988 4.584 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1/N=C/c1c(OC)ccc2ccccc12 1874473300 WZHQOGXIHFZVIH-NLRVBDNBSA-N 446.576 4.846 30 10 IJEE Cc1cccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)c1 1874487508 NVJLXZDIFMEGKG-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874510076 FEMBIKZACJSRKU-ZVBGSRNCSA-N 429.373 4.711 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874510657 UBPBFEUQPOQIAX-YDZHTSKRSA-N 428.945 4.830 30 10 IJEE Oc1nc(CSc2nnc(C3CC3)n2/N=C/c2ccc(Cl)cc2)nc2ccccc12 1874521038 XXUSPFBMFHWEQZ-FOKLQQMPSA-N 436.928 4.632 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1)c1cccc([N+](=O)[O-])c1 1875087870 GVRNIRSASODIRZ-VQHVLOKHSA-N 430.254 4.959 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)COc1cc(F)ccc1F 1875159390 OSZXKXLBHNLSQD-WTDSWWLTSA-N 442.389 4.993 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNCc1cc(Br)ccc1OCCC 1888160037 NWWDLTNZENAYJD-UHFFFAOYSA-N 427.383 4.799 30 10 IJEE C=CCC1([C@@H](NC)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 1894895881 SVUBSAYOJPHYJC-INIZCTEOSA-N 431.321 4.801 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1922047205 PPYXQWQKZODAAX-KSAQDQTQSA-N 434.624 4.686 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922101556 YMVKNQSYBFCFKH-DNQXCXABSA-N 440.584 4.587 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CCC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1950517879 SPLOYZBPFQAONY-HRAATJIYSA-N 436.557 4.901 30 10 IJEE Cc1nnc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)s1 2040582342 QWEOCIHEKPOVNG-LJQANCHMSA-N 437.908 4.682 30 10 IJEE C#CC[C@H](CC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076078806 KXYVERSGQRVQOA-HSZRJFAPSA-N 438.612 4.945 30 10 IJEE CC[C@H](c1ccc(C)c(F)c1)n1nc(C(F)(F)F)c(C#N)c1I 2078999781 VLYDKXDCBXQZQO-GFCCVEGCSA-N 437.178 4.825 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(C(N)=O)c1Br 2079959393 URSLQQDYUKDHHS-RXMQYKEDSA-N 448.136 4.531 30 10 IJEE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(c2cc(Br)cc(F)c2C#N)C1 2118187899 ODOSIPOWBDAXCH-OCCSQVGLSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@@H]2CCCC[C@@H]21 2174815772 WZMQATYHNCYKNY-SJORKVTESA-N 438.341 4.828 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)CC1(C)C 2181098166 KTKDSPORMONELJ-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1ccc2cc(Br)ccc2c1 2197004660 LARUFPCPXHFYSW-UHFFFAOYSA-N 433.346 4.803 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Br)nn2C(C)C)C1 2232468515 ZJVIFYPCRKZSFL-KRWDZBQOSA-N 441.414 4.738 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2ccccc2Br)C2(CCCC2)C1 2235725480 DBMOKVXNWHIMHO-IEBWSBKVSA-N 434.374 4.589 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2235745483 CTUKYOBAJBJEFT-HKUYNNGSSA-N 433.390 4.568 30 10 IJEE N#Cc1ccc([N+](=O)[O-])cc1Nc1ccc(I)cc1Br 2237604477 ZDPDKRXTJIOUDG-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2ncc(Br)cc2C#N)C[C@@H]2CCCC[C@@H]21 2240974079 WITPRSJGMFRZEY-JQFCIGGWSA-N 435.366 4.696 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 2245893536 NRWOJANKPDUHEV-KUHUBIRLSA-N 435.487 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2)C1 2246963689 KLYWFBGIRKJOHB-BQTBQCLESA-N 447.498 4.715 30 10 IJEE CCCN[C@H](C#Cc1ccccc1F)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255266774 BKKVDYWKADIBEG-RPWUZVMVSA-N 440.559 4.656 30 10 IJEE C=CCCC1([C@@H](O)Cc2ccc(F)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266200607 CSNHMQFUXCBHBM-KRWDZBQOSA-N 428.342 4.695 30 10 IJEE C[C@H]1[C@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)CC(C)(C)CN1Cc1ccccc1 2267097536 POXIYZPBIYEBDE-FTWXPCQCSA-N 440.437 4.664 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2267579346 QVDFYRIBGYWWLL-OEAXXVGTSA-N 439.405 4.701 30 10 IJEE C=CCC1(NC(=O)c2ccc(Br)cc2C)CCN(C(=O)OC(C)(C)C)CC1 2282086756 PXPFCNGXUWBAJW-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc(C(=O)C#Cc2ccc(Br)cc2)c1 2296279736 RWECSKIANXMDRQ-UHFFFAOYSA-N 428.326 4.751 30 10 IJEE COc1ccc(OC)c(C=CC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 2314430163 XQQONFWAGYUQBA-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CC[C@H](C)N1COc2c(cc3c(c2C)OC(=Cc2ccc(OC)c(OC)c2OC)C3=O)C1 2322371150 KCIPTEZAZDSOHD-AWEZNQCLSA-N 439.508 4.587 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(OC)c(F)c2)cc(Cl)cc1OC 2322708493 RLFHXGSBMIDSBA-UHFFFAOYSA-N 436.863 4.724 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)COc4ccccc4)c3C)C2=O)c1 2322948681 YFTGEXZVFNUXPN-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE COc1ccc(C=C2Oc3cc(OCCOc4ccccc4F)ccc3C2=O)c(OC)c1 2324851361 YNKALLNRGOJEAG-UHFFFAOYSA-N 436.435 4.917 30 10 IJEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccn1C 2325809398 UIZYQFCZFFHAAO-UHFFFAOYSA-N 431.993 4.893 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C=Cc1ccc(F)cc1 2326222852 HRRJILPVDABYEB-UHFFFAOYSA-N 438.524 4.915 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2cccc(C(F)(F)F)c2)cc1 2326782728 YMASXLHVWBRHOJ-UHFFFAOYSA-N 434.443 4.566 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCCO)n1N=Cc1ccc(Cl)cc1 2327123642 RUQLFVHYZZWHOF-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327849707 PSQVIFACUORRRY-SFHVURJKSA-N 443.617 4.566 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccncc1)Nc1ccccc1 2329524533 JOYVTODJTXXEGX-UHFFFAOYSA-N 448.939 4.607 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1ccc(Cl)cc1 2330376037 ZZFLHVNZHPZIGG-FCHUYYIVSA-N 435.008 4.572 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccncc1 2330645363 LCWAKYCUKPGZFH-UHFFFAOYSA-N 444.443 4.842 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCCc2ccccc2)nnc1-c1ccccc1 2330674956 RPWDXWNVTVYGRB-UHFFFAOYSA-N 428.517 4.860 30 10 IJEE CC(C)(C)c1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331385747 GIQIGTWHLNBRKA-UHFFFAOYSA-N 429.477 4.503 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(OC)c(OC(=O)C3CC3)c(OC)c2)c1 2331675899 ROMMTGLETGYCDV-UHFFFAOYSA-N 440.492 4.713 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(OC)c2)c(OC)cc1Cl 2331695204 WTIDYLOWFGQMMF-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2C(C)C)cc(OC)c1OC 2331700453 OSTQJDXMDLIBHL-UHFFFAOYSA-N 444.532 4.741 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C3CCCC3)c(OC)c2)c(OC)c1 2331717393 HVVHDELFHIDUGM-UHFFFAOYSA-N 440.492 4.713 30 10 IJEE CC(C)(C)OC(=O)NCC1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2339603435 AATGGKXITCPYDQ-NTCAYCPXSA-N 444.381 4.943 30 10 IJEE Cc1cc(C(=O)NCc2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)sc1Cl 2369906149 KEWZSIFNNQIRRN-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE CC1CCN(S(=O)(=O)c2ccc(-c3csc(N/N=C/c4cccs4)n3)cc2)CC1 33790495 NHVYRGORMDPLAW-FYJGNVAPSA-N 446.623 4.738 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1cccc(Cl)c1Cl 59311185 YPVNJUVBPZXZCU-UHFFFAOYSA-N 427.361 4.964 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 62897576 HCGRIXMJOHPNDV-UHFFFAOYSA-N 438.915 4.808 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 63401460 OJQQYPXFRPQXNP-HXUWFJFHSA-N 436.556 4.725 30 10 IJEE N#Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3sc(N4CCCCC4)nn23)c1 65320943 DFXVKLANMPPKCB-UHFFFAOYSA-N 428.521 4.572 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(F)cc2)=C(N2CCC[C@H](CO)C2)C1=O 169985777 ZKKBXPWIFSCNIJ-FQEVSTJZSA-N 444.591 4.751 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccs1)c1c[nH]c2ccccc12 169989732 DKWPDUKMKRZUEI-HXUWFJFHSA-N 440.484 4.889 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccnc1)c1cc2ccccc2o1 170012132 MHOIFIUSDPAYBB-QHCPKHFHSA-N 442.446 4.788 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC(=O)O)cc3)[C@H]2c2ccccc2)cc1 170052973 YDAQBZJUNTULCG-DEOSSOPVSA-N 441.483 4.659 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170058295 CDYCGGPONGDWTA-PKOBYXMFSA-N 432.303 4.751 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccn2)cc1 170170782 ADYVIMICSIKOFR-QHCPKHFHSA-N 428.488 4.744 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 170241483 BVHPRIJLGVIJEL-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 170256441 AWODQTXBMHIXPL-OAQYLSRUSA-N 431.448 4.597 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc(O)c1 170259984 CFULFZQTJVZEPZ-XMMPIXPASA-N 441.483 4.809 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2CCCN(C)C)o1 170308912 XDUTUOONVBDRJH-FQEVSTJZSA-N 442.899 4.518 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170337529 DMKWNAMDAKZFGW-XMMPIXPASA-N 441.531 4.602 30 10 IJEE C=CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)c(C(=O)O)c3)N(C)C2=O)cc1 252636340 XHOFMZPBRFQJOW-DDOGFQLYSA-N 428.897 4.837 30 10 IJEE CC(=O)N1CCCN(c2ccc(F)cc2NC2CCC(C#N)(c3ccccc3)CC2)CC1 448367957 SIKOXHLDQORSGT-UHFFFAOYSA-N 434.559 4.700 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 460372560 RAXGBXXDQZGMKD-JOCHJYFZSA-N 429.524 4.752 30 10 IJEE N#C[C@@H](NC(=O)c1c(F)cccc1I)c1cccc(Cl)c1Cl 505327600 WSUGUDGQVMISQL-GFCCVEGCSA-N 449.050 4.732 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC)c(OC)c2)cc1 526605104 UHPJXBZHAXXERU-XMMPIXPASA-N 442.471 4.641 30 10 IJEE N#Cc1cccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 526667182 MEPMBOHIPRTREF-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)c(O)c2)c1 526744916 UERKCXYFTGQEKL-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccc(F)cc2)cc(Cl)c1OC 526801453 RSBRPNGRGZMILR-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2/N=C\c2cccc(Cl)c2Cl)o1 526831161 HOSFZTXUUSXTKE-UYOCIXKTSA-N 439.324 4.918 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 581218927 CJWJMTVFVRUZLY-GOSISDBHSA-N 436.478 4.707 30 10 IJEE C=C([C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)C(F)(F)F 707816980 BRBAWNREWQMXBM-WDSOQIARSA-N 430.511 4.972 30 10 IJEE Cc1cccc([C@H](C#N)C(=O)c2ccc(I)c(Br)c2)c1 721300825 CTWBLIYHHGXETD-ZDUSSCGKSA-N 440.078 4.852 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1F 733197575 PGKVXMPIOQGTMQ-JOCHJYFZSA-N 445.519 4.963 30 10 IJEE N#CCOc1ccc(Cl)cc1CSCC(=O)Nc1ccc(Br)cc1 735318998 UOGPOOOOZLLFNN-UHFFFAOYSA-N 425.735 4.877 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)CCCN1C(=O)OC(C)(C)C 790508755 SRPFFHMEXSCYFL-TYBLODHISA-N 428.573 4.616 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccccc2C#N)=C(/O)c2cccc([N+](=O)[O-])c2)cc1 917612773 HLWUNEPWFXMCKE-UHFFFAOYSA-O 431.497 4.640 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccc(OC)cc1 1084312166 JTXWNJVTNKYPHO-GOSISDBHSA-N 447.919 4.634 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)N2CCc3ccc(C#N)cc32)s1 1127786753 HBDANBDGNYGAGL-UHFFFAOYSA-N 440.322 4.656 30 10 IJEE C#C[C@@H](NC(=O)c1cc2cc(OC)ccc2nc1Cl)c1ccc(Br)cc1 1129730902 NCDDVKOFURBGJK-QGZVFWFLSA-N 429.701 4.764 30 10 IJEE Cc1c(C#N)c(NC(=O)CSCc2nc3ccccc3[nH]2)n(Cc2ccccc2)c1C 1166307530 HWXNMEBGSXWVAX-UHFFFAOYSA-N 429.549 4.773 30 10 IJEE COc1ccc(CCN(CC(C)C)c2nccc(Oc3cccc(C#N)c3)n2)cc1OC 1185897425 DHKHUPLGJKPDDM-UHFFFAOYSA-N 432.524 4.863 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 1199787009 LANOTHVSFKPDSL-NHCUHLMSSA-N 433.474 4.826 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(c3ccccc3F)C2)cc1OC 1202638618 OGGLRDVPUSWBHJ-INIZCTEOSA-N 435.337 4.530 30 10 IJEE CN(CCCn1ccnc1)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1219255660 ACCFSSWCSAUNRQ-UHFFFAOYSA-N 426.336 4.727 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1 1220521572 YKOOIKFHNMAJNO-UHFFFAOYSA-N 427.548 4.814 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1coc(-c2cccs2)n1 1286302361 LSGXDIJMZHNEDP-GOSISDBHSA-N 447.564 4.697 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cscn1 1286318996 XILJGHYIETTYBR-UHFFFAOYSA-N 430.375 4.604 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(OC(F)F)c1 1286336294 WSGDHYLNZAMYGU-KRWDZBQOSA-N 448.424 4.870 30 10 IJEE C=C(Br)Cn1c(COCC)nnc1N(Cc1ccco1)Cc1cccs1 1286546745 DMUVYOUAPYGNBY-UHFFFAOYSA-N 437.363 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)CCOc1ccc(Cl)cc1 1286547330 OHYVRXDWRDZKDQ-LQWHRVPQSA-N 432.996 4.941 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(c3ccc(OC)cc3)CC2)nnc1C(C)(C)C 1286568321 VYDFEOGPGQTSEN-FYYLOGMGSA-N 438.616 4.949 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](CN(C)CCC)C1 1286587639 OPJHDVOPKOBBLS-MOPGFXCFSA-N 427.662 4.876 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC1CCOCC1 1286603201 OUWOGVSPCLGXRV-SFHVURJKSA-N 444.645 4.587 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C[C@H]1CC 1286604749 PAAIWBMIFLRZRZ-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1286631224 DJHUTAKPWWKUEP-OAHLLOKOSA-N 431.993 4.521 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCCN(c2nccs2)CC1)c1ccccc1 1286678286 UREJICWLUSWSBD-NRFANRHFSA-N 436.629 4.935 30 10 IJEE CCc1ccc([C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)N(C)C)cc1 1290307964 AWPFGHFKIRCBLU-AREMUKBSSA-N 427.548 4.732 30 10 IJEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)C1 1293740021 AYKCSMCBWSGACQ-HSZRJFAPSA-N 448.615 4.672 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(F)(F)Br 1300285992 CZHODQXIJOFZOA-SECBINFHSA-N 438.103 4.698 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC)C1CCCCC1 1300392013 XTLJXOIYMGSPDB-UHFFFAOYSA-N 426.561 4.543 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 1300433439 ARJGHXNFBHPAHS-HXUWFJFHSA-N 432.486 4.659 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@@H](F)C1 1300650568 VELCFOBYLNYCNW-AZUAARDMSA-N 441.551 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@](C)(C#N)C1 1300897059 NNQJCARZFCICQB-CVJWPJSTSA-N 449.599 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1([S@](C)=O)CCC1 1300900307 CIMAHCJJCDWQEH-HKBQPEDESA-N 437.613 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)N(CC)CC)cc1 1300917676 JZYHOCCKBROKQI-UHFFFAOYSA-N 425.621 4.799 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1300935194 MXOJNMNNDOBLCF-QAPCUYQASA-N 431.968 4.524 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1301129914 GXWSAQAJNQXTAV-OALUTQOASA-N 436.526 4.836 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2scnc2C)CC1 1301135934 WEBQNGUXJDSOEM-UYAOXDASSA-N 429.634 4.607 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301229699 XUYZGIQHZIPGJG-ICSRJNTNSA-N 431.625 4.717 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC=CCC1 1301421274 SDFUWSWFUZIFOW-QGZVFWFLSA-N 431.378 4.703 30 10 IJEE C=C[C@@H](CC)CC(=O)NC1(c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 1303223262 HTPWEENAXZANMZ-HNNXBMFYSA-N 437.378 4.614 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1304671029 FRQPXYZDYCYNRO-OAHLLOKOSA-N 425.337 4.585 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C#N)c2)C1 1305017996 HFSJLMWALRNHNO-HXUWFJFHSA-N 436.648 4.885 30 10 IJEE C=C(C)CCC(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1 1350597562 BGMKDEDCTUKSGW-VGSWGCGISA-N 435.973 4.990 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CCCC2)cc1 1355842938 SAJOCNDLLHRLBV-OAQYLSRUSA-N 426.557 4.587 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCC(C)CC1 1358872390 UFLZELRJVZCKFT-FYYLOGMGSA-N 437.632 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)c1ccccc1 1358878191 SHRNKYOAQTWPMN-OALUTQOASA-N 433.625 4.726 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(CCOCC)CCCC1 1358894330 MNUZKVWDZWNVEW-FQEVSTJZSA-N 433.600 4.795 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1358934789 NEUQBKZAOZUJGB-HNNXBMFYSA-N 437.371 4.581 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1(C2CC2)CCC1 1358988647 YDBSHVNNSKXIFO-UHFFFAOYSA-N 437.385 4.751 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@H](F)C1 1359067681 XRJQKEQOWSWZPH-JVFUWBCBSA-N 440.563 4.871 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1359109161 QYOZMUHDDHLDJI-LJQANCHMSA-N 435.538 4.794 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)OCCc2sccc21 1359109516 DTNUJTKOFCECIP-JOCHJYFZSA-N 444.004 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1359190781 CEVYDZAAIWADEL-SFHVURJKSA-N 445.652 4.963 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)C[C@@H](C)c1nccs1)c1ccccc1 1359195721 QOFDRWSWKPZTHY-NRSPTQNISA-N 437.613 4.838 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1sc(C)nc1C)C1CC1 1359253449 GTNIEKGYFGTNGV-UHFFFAOYSA-N 437.613 4.945 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCC[C@H](C)C1 1359277115 CEPKTMPDIZCTTJ-LEWJYISDSA-N 427.637 4.815 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccsc1)N1CCCC1 1359658348 AGPXNZZECZGUFB-JOCHJYFZSA-N 434.613 4.635 30 10 IJEE C#CCOc1ccc(NC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)cc1 1360163690 GCHJJILWJGIWBK-UHFFFAOYSA-N 429.307 4.962 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1 1441387062 YMSVDITWIPNTJO-NRFANRHFSA-N 444.579 4.742 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 1456865715 QASHTCCCSIHHJZ-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1462426746 PDBJBZZOWHUVGJ-CTNGQTDRSA-N 441.369 4.959 30 10 IJEE CC1(C)Cc2c(Br)cccc2[C@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl 1463781386 GWYYMSJMVGRUTL-QGZVFWFLSA-N 439.762 4.576 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 1466209535 OMLDUEJRCKPMIU-UHFFFAOYSA-N 441.531 4.632 30 10 IJEE C#CCN(C(=O)c1ccc(C)c(OCc2csc(Br)c2)c1)C1CSC1 1469997198 DHMYYHKLOGMLPR-UHFFFAOYSA-N 436.396 4.589 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)c1ccccc1 1470089841 ZDOJHCIPXLMEIU-UNEWFSDZSA-N 427.180 4.701 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CCSC(F)(F)F 1504442065 FLGUKRAEQYDGQJ-CYBMUJFWSA-N 445.536 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCC(C)CC1 1507530823 XOXOBJCZYIIBBN-QGZVFWFLSA-N 434.415 4.832 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)C(C)C 1507679919 TYFAUXUJDUXZRG-FDDCHVKYSA-N 432.996 4.555 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)C1CCN(CCC)CC1 1507828049 QAWQURPSTZPUSB-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1507885698 LFPZNXGXKPIYOM-HXUWFJFHSA-N 443.586 4.672 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1507910924 FIVKZHCTKJEVFL-HOTGVXAUSA-N 433.394 4.924 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCCCO1 1507986748 UOIJIBKPVQCHRZ-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC1CCCC1 1510265788 GLMQJOFRZTWCNG-LAUBAEHRSA-N 443.979 4.771 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1519990262 XVQZBARUEDNKBA-NSHDSACASA-N 431.256 4.523 30 10 IJEE C#CC[C@@]1(C(=O)NCc2cccc(OCc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1525521353 BOOVVNQHTPSONP-MHZLTWQESA-N 448.563 4.675 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 1525731381 XHWDPVMTWUMCQS-NHCUHLMSSA-N 430.593 4.547 30 10 IJEE Cc1ccc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(O[C@@H](C)CC(C)C)c1 1525876167 FOUPAJVXPBRJIC-UGKGYDQZSA-N 437.559 4.962 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c(C(=O)OCC)c1C 1525887297 FLOCHKXXOBMACN-OLZOCXBDSA-N 449.475 4.596 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 1527473399 QTHNKHCDWPEXGG-UHFFFAOYSA-N 427.479 4.636 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1529918789 OZVRUSDFVDJPQC-FQEVSTJZSA-N 430.454 4.532 30 10 IJEE C#CC[C@]1(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CCCN1C(=O)OC(C)(C)C 1530889863 OBHXEOMLTZBKCE-HHHXNRCGSA-N 449.595 4.546 30 10 IJEE C=CCn1c(SCC(=O)OC2CCC(F)(F)CC2)nnc1-c1ccc(Cl)cc1 1534025918 QTPOGVCWMCELBY-UHFFFAOYSA-N 427.904 4.998 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CCC)c3cccc(C(F)(F)F)c3)cc2C1=O 1536751782 MHASTXGUHYBHQE-IBGZPJMESA-N 430.426 4.759 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCCN1CC 1538976151 JIXROIWLDPJWPZ-YKSBVNFPSA-N 444.627 4.685 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@@H](SC)C1 1539101768 ICCNEIRIGBVTGV-CQSZACIVSA-N 439.448 4.904 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H](c1cccs1)N(C)C 1539392932 XHYXMVLXFODULY-NRFANRHFSA-N 439.604 4.620 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1539662255 QQQNQZWYYNETQL-UHFFFAOYSA-N 442.608 4.826 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(F)cc1F 1539686142 INMIDFLXSBYEIM-UHFFFAOYSA-N 436.304 4.537 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CCOC)CC(C)C 1539783310 QNDSXPFQCFLEFN-UHFFFAOYSA-N 441.801 4.877 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1539999068 WZUQLUDJHVTLFW-GOSISDBHSA-N 442.995 4.805 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1540021818 YYMGMGJVDSFVJV-MSOLQXFVSA-N 448.995 4.668 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccc(OC)cc1)C1CC1 1540102362 VMRSHVPOJFBIBU-MRXNPFEDSA-N 439.947 4.624 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1 1540127485 FNUQYMYQOUADKB-QHCPKHFHSA-N 444.608 4.614 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCCc1nccs1 1540136924 MVUPKYFXCKRUIO-HXUWFJFHSA-N 441.576 4.941 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Br)cc2)n1CCOC 1540140156 KLCLPNTUCPWXGP-UHFFFAOYSA-N 433.375 4.608 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1C(C)(C)C)C(C)C 1540151633 JUDGWHMLIGVJNZ-QRVBRYPASA-N 441.586 4.909 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCO[C@@H](C)C1 1540153966 OMYOARSAJUDPBP-HOTGVXAUSA-N 449.368 4.840 30 10 IJEE C=CC[C@H](C(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 1540688927 RDENSHIMANIWMJ-OFNKIYASSA-N 430.552 4.610 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H](C)c2ccc(OC)cc2)C1 1540887478 XXMYICIOLLMAPR-PGRDOPGGSA-N 436.556 4.830 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@H](C)C2)cn1 1541736679 GCGHFSNZLUSOIV-RTBURBONSA-N 430.556 4.530 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1C 1542070569 HDPLIYKBNSFBHF-UHFFFAOYSA-N 447.564 4.879 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC)[C@@H]1C[C@H](OCC)C12CCCCC2 1545049490 RCTAOLPSHPYJAW-HBMCJLEFSA-N 434.621 4.660 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 1545117765 KOIDCDGDRWYHMQ-IBGZPJMESA-N 432.561 4.508 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1547523590 GZBXPCHNDCZTFY-GOSISDBHSA-N 439.610 4.570 30 10 IJEE CCCc1c(NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)cnn1-c1cccc(C#N)c1 1556254689 CTHRAHVPAAMZRP-UHFFFAOYSA-N 439.560 4.528 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC(C)(C)C2)c1 1557605314 XQIZTCSASAUIDJ-UHFFFAOYSA-N 432.973 4.640 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 1564774464 MNBKNNMKAXTTTR-AZUAARDMSA-N 448.336 4.601 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1565846619 CBBNIJLZWLPEOR-UZLBHIALSA-N 439.581 4.939 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccc(OC)cc3)[C@@H](C)C3CC3)n[nH]2)c1C 1569994075 KAOVMRFGMBFLGD-KRWDZBQOSA-N 433.556 4.526 30 10 IJEE CN(C)c1cc(Br)cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 1583134199 CSBXFGYYXIFYEJ-UHFFFAOYSA-N 427.327 4.763 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)cc1OC 1584767537 URUQZJFXCXQAGO-BENRWUELSA-N 446.478 4.985 30 10 IJEE C=CCN(C(=O)c1cc(Oc2ccccc2)ccn1)[C@H](Cc1ccccc1)C(=O)OCC 1585016484 WEWUBSNIXXFXSM-XMMPIXPASA-N 430.504 4.677 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 1586139609 GTWKYIMEVGYTMW-JXALWOEJSA-N 434.580 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCn1ccnc1C 1587586994 VZADEMFSEPROLQ-ROUUACIJSA-N 436.629 4.575 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)cc1 1587964551 KCJHQCRZUFQWJN-UHFFFAOYSA-N 443.429 4.759 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC2(CC2)C1 1588985392 RNQPACAFCLORIC-LJQANCHMSA-N 440.613 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)[C@H](C)CC 1589150728 JTWQBUZKJULJCR-LPQSXTOPSA-N 445.007 4.861 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCC(C)CC1 1589614807 HKHMIXNDXJXLLX-UHFFFAOYSA-N 432.012 4.741 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC2(O)CCOCC2)CC1 1594209464 XGQPMQGKWYLVKY-UHFFFAOYSA-N 438.616 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1594461340 QIHPTMPSQGNULC-KNQAVFIVSA-N 449.643 4.807 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC(C)(C)CN1CCCC1 1595127011 BGQWREJPFXWVCI-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1Cc1c(C)noc1C 1595149301 MNVLXZHWOJVKTA-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1CCc1nccc(C(F)(F)F)n1 1595162195 YZDOWVWIEZDSTK-UHFFFAOYSA-N 448.518 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1 1595165538 JOVPKGSNHFMWFJ-XMMPIXPASA-N 449.580 4.552 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC1(CC)CCOCC1 1595234241 LYHPKRADCYKHNF-UHFFFAOYSA-N 431.584 4.782 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@H](C)C2)C1 1595679754 AYXZHTWTSVMRCU-SQGPQFPESA-N 445.405 4.925 30 10 IJEE C=CCn1c(Sc2ncc([N+](=O)[O-])c(C)c2Br)nnc1-c1ccc(C)cc1 1612165107 MYNPRPMCUXALFF-UHFFFAOYSA-N 446.330 4.965 30 10 IJEE N#Cc1cc(F)c(N2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1Br 1612303996 BMDJQBBJNOFIJQ-UHFFFAOYSA-N 444.329 4.637 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2sc(C)c(C)c2c1=O 1613269859 PCUSGXKOFRLKKX-NSNWQYSKSA-N 433.643 4.682 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)O[C@@H](C)C2)nc2sc(-c3ccccc3)cc2c1=O 1613425883 DTIHGHXRQREELY-IRXDYDNUSA-N 441.622 4.512 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccccc1 1616817482 FGERWTQTAIKBPD-PKHCJMHPSA-N 446.544 4.674 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 1617141786 YEZLIUGCIOSNAP-XMMPIXPASA-N 426.495 4.516 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H]3[C@H]3CCC[C@@H]3O)c2C#N)C1 1618076220 CINICOHNCXGEAY-DWIQEWEKSA-N 443.657 4.725 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCN(C(=O)c3cccc(C)c3)CC2)cc1OC 1621209353 DNTJZHWWIINYNH-UHFFFAOYSA-N 428.960 4.570 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CO)c3cccc(Cl)c3Cl)cn2)cc1 1622864466 FKKVCDQODIMZEJ-GOSISDBHSA-N 443.290 4.907 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC 1624702078 JOYZGWOQDONYMY-MRXNPFEDSA-N 447.967 4.503 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 1624916803 HKXNMMPWVKOIKA-VWLOTQADSA-N 432.545 4.792 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(OCCCC)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 1624943064 SMTCIMXPHIGGAV-SFHVURJKSA-N 446.588 4.865 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(Br)cc(Br)c1 1629090466 CJBYPGDEPOMFPR-UHFFFAOYSA-N 427.067 4.615 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(CCN(CC)CC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1631460395 ZEQGJYYTTCYSPH-AREMUKBSSA-N 449.680 4.939 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc3c(OC)ccc(Br)c3s2)cc1OC 1632751838 LJRPWYMUVUCZIC-UHFFFAOYSA-N 449.326 4.893 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(C)CCO[C@@H]1C 1633842026 PBBCCVUAFSMFLT-AKRGNFOKSA-N 448.563 4.544 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C 1634082760 WDSROOUJUTWOEK-CYBMUJFWSA-N 438.981 4.990 30 10 IJEE N#CCC[C@@H](NC(=O)c1cc(Br)cc(Br)c1O)c1ccccc1 1636815751 BYPMIANFJMZIRN-OAHLLOKOSA-N 438.119 4.692 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3NCc3ccccc3C)cc2C1=O 1637485153 APVXPTFFZLHBDP-UHFFFAOYSA-N 425.488 4.641 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(F)F 1637657308 SWPGSWVIAYZHMV-XOBRGWDASA-N 448.897 4.806 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1637758657 WSZDUPGGMIJJNG-QGZVFWFLSA-N 437.487 4.510 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccc(Br)cc1 1641517255 FFRHUWTYWXJRKY-RTBURBONSA-N 449.389 4.713 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1 1646526918 FOZJBOCSKBWYMX-QFIPXVFZSA-N 442.600 4.755 30 10 IJEE C#CCN(C(=O)[C@@H](C)Sc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1649382408 HUKONOYXEBHBRK-MRXNPFEDSA-N 437.005 4.682 30 10 IJEE N#Cc1c(N2CCOCC2)n[nH]c1NCc1cc(Cl)ccc1Oc1ccc(Cl)cc1 1651537149 GMASTHGUDNWNPH-UHFFFAOYSA-N 444.322 4.829 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3O)cc2n1 1652527756 FJTPACOTCNGIGV-UHFFFAOYSA-N 448.429 4.711 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 1652741580 OLYOWEKVWUXWLI-ANTGDGSKSA-N 442.629 4.773 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 1656097657 VHVVEBFGGWZUOV-IBGZPJMESA-N 426.607 4.609 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1 1661876449 WAIWDZRHYBHGJK-UHFFFAOYSA-N 448.741 4.627 30 10 IJEE C=CCOc1c(Br)cc(CNCC[C@@H]2COc3ccccc3O2)cc1OCC 1662682347 YPGRCADCMYISHR-QGZVFWFLSA-N 448.357 4.732 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)cc1OC 1665819672 HWLXMAJZUJKRTO-SFHVURJKSA-N 443.849 4.936 30 10 IJEE C#C[C@H](NC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 1665918479 WTRVLYAHWQBHHY-KRWDZBQOSA-N 441.247 4.564 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 1669978590 ZZMMCOVGRPYVLX-UHFFFAOYSA-N 433.961 4.505 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 1670866885 VGECQHWTFQXZDL-IFMALSPDSA-N 449.551 4.613 30 10 IJEE CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)n1 1672083521 GGPZIUVPBMUBNA-OAHLLOKOSA-N 429.521 4.516 30 10 IJEE C=CCC[C@@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1680632589 DUSKYAVOXKFGEY-HXUWFJFHSA-N 433.474 4.800 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H]1CC2(CCOCC2)CO1)c1ccc(C(F)(F)F)cc1 1680633603 QESUNMXSPMNURW-RTBURBONSA-N 426.479 4.598 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1)c1ccc(Br)cc1 1683512822 RBNMUHHKILYOEE-BEFAXECRSA-N 447.760 4.990 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 1685845866 NBNRKDUOJWNXAU-UODIDJSMSA-N 428.580 4.557 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1689856170 KWHIZLXSPXSCFS-XZOYJPPVSA-N 449.624 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCC(C)(C)C1 1690262557 FTPIGIDFMVOFQC-UHFFFAOYSA-N 447.631 4.655 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1 1690319081 CDKHIRFGJBJYTP-INIZCTEOSA-N 440.922 4.585 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCCCOC)c2)CC1 1690378881 FKVBRXYLSIJJNL-UHFFFAOYSA-N 438.597 4.550 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCN2CCC)CC1 1690382295 JDBVAGSLEQMTRZ-FQEVSTJZSA-N 429.996 4.541 30 10 IJEE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1690472417 NCWWJCJFLBIXLW-OAQYLSRUSA-N 447.583 4.708 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)[C@H]1C 1690497929 YOUYRCUSNAZNEH-QHAWAJNXSA-N 444.645 4.958 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccc(F)cc1 1690587925 BUJIHLCBYSTSCX-MRXNPFEDSA-N 427.911 4.779 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1Cc1cc(C(C)(C)C)no1 1690602452 QCFVCMWDYDAENQ-UHFFFAOYSA-N 442.567 4.909 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)Cc3cnc(C(C)C)nc3)nnc2C(C)(C)C)cc1 1690681285 LYSMVFXOTSTPJP-UHFFFAOYSA-N 434.588 4.739 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC(C)C)c2)C1 1690697469 VYNXWZQPGJYLQR-QHCPKHFHSA-N 447.583 4.513 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1690742643 XBYGRXNJKDKZAX-JOCHJYFZSA-N 425.646 4.566 30 10 IJEE CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1691955760 FGIUVLIUPZKUJT-XMMPIXPASA-N 434.632 4.810 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)o1 1693049085 HVKRQKYVGCXCPE-CTNGQTDRSA-N 425.577 4.818 30 10 IJEE CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1694411894 FRMLURUKHPNACW-HXUWFJFHSA-N 439.604 4.716 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1705509678 MKFOETREZUPZRK-UHFFFAOYSA-N 444.627 4.713 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1705516032 SNIDILFRGSBTLY-UHFFFAOYSA-N 437.544 4.695 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1705528381 DRJMRJCYEXKJBS-ZEQRLZLVSA-N 436.600 4.931 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@H]1CCO[C@@H](C)C1 1705608582 WYBWKPMLNSLIAB-SFTDATJTSA-N 448.567 4.782 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@H](c1cccs1)N1CCCC1 1705614918 ALNDKBXQFJIJGK-JOCHJYFZSA-N 433.625 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)Oc1cccc(Cl)c1 1705708231 ZSRHLEQGAOCGML-YRNRMSPPSA-N 442.951 4.530 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCN(C)C2CCCCC2)CC1 1705772730 SORRIDAPKFTEEL-UHFFFAOYSA-N 437.632 4.840 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2Cc2ccc(I)cc2)CC1 1705780556 RDLWUXDCTUESMA-UHFFFAOYSA-N 448.352 4.601 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1705814227 HWJRTFKRJCCLGE-IBGZPJMESA-N 441.377 4.749 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1705821342 SNCKJKWDYNTVFZ-NRFANRHFSA-N 441.938 4.601 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(C)cc1)N(C)C)C1CC1 1705851256 ZNOZDUJJGIDSPW-OAQYLSRUSA-N 436.991 4.760 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CCOC(C)(C)C 1705860336 PWJCWTPNSIRKCH-UHFFFAOYSA-N 430.556 4.528 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1705860733 NZCGZDMLZFAXBU-VXKWHMMOSA-N 434.632 4.661 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1710009101 AUPYWLHZCHQFGB-MRXNPFEDSA-N 432.975 4.598 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC2(C)CCCC2)cc1 1710533747 FDNPQGJCOWFCLP-RTBURBONSA-N 425.577 4.993 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC(F)(F)C1 1722467259 PLESHMDRAOQSLC-HYFFOGBASA-N 432.490 4.985 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(C)c1 1722496928 OXZVGUKEXWLTGK-IFMALSPDSA-N 437.975 4.920 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1722562292 STZUIYYRTXTFLO-PMACEKPBSA-N 425.596 4.997 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1722565954 GFCRFQLGGVODHB-MJGOQNOKSA-N 449.368 4.802 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1722582132 LSJFGDIJRGXXQH-QFIPXVFZSA-N 436.522 4.719 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCO[C@H](C)C1 1722655742 JSYFQCJYMOWMHR-YKSBVNFPSA-N 433.600 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1740537936 AKVHPVBFNCGTQZ-QRFRQXIXSA-N 445.405 4.617 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](OC)C1 1740567585 MFHDNBPNKRALBT-FQEVSTJZSA-N 435.597 4.796 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740568894 UFSZMWBNQARDBA-ZBFHGGJFSA-N 449.418 4.576 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(CCOC)CCCCC1 1740632614 UQMYHJDSRBBFGR-UHFFFAOYSA-N 444.623 4.808 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1cccs1 1740721212 BFTQMLNZVMIHGI-HXUWFJFHSA-N 438.622 4.935 30 10 IJEE C=C(Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C)c1ccccc1 1740798174 BNGKSIITCIKSCT-IRLDBZIGSA-N 446.599 4.508 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1740824029 SQMPWTIZKPTEDQ-NHCUHLMSSA-N 429.996 4.632 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCCN(C(C)(C)C)CC1 1740851881 FDAOMGUHAKZLMM-UHFFFAOYSA-N 443.611 4.909 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740858233 LYTBIFYLNROZPA-YADHBBJMSA-N 444.645 4.580 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCSC1 1740882776 XSMVDZVUCNDAIS-OAHLLOKOSA-N 427.401 4.786 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(OCCC)nc1 1740892446 HFSAUAYHNMCALO-UHFFFAOYSA-N 428.540 4.656 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1csc([C@@H](C)OC)n1)C1CC1 1740913300 JDWRQKIPLVJEPD-ATZDWAIDSA-N 445.633 4.564 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCCCC2)C1 1740972662 KXBKLVMPTINZIF-UYAOXDASSA-N 428.552 4.919 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(Cl)nc2C1 1740998876 VNXDFROSTSMKGZ-UHFFFAOYSA-N 447.395 4.524 30 10 IJEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1)Sc1ccccc1 1741858407 DNAKIAHUHXRNJJ-CYFREDJKSA-N 432.597 4.575 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1748640531 WINOOFDXTHQFLX-UFYCRDLUSA-N 441.595 4.526 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC(C)(C)OC(C)(C)C1 1748735966 VCEXHFRAYUFURY-QGZVFWFLSA-N 426.630 4.939 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C1CC(C(C)(C)C)C1 1748829321 ZTQMRZFBJMTOQD-UHFFFAOYSA-N 425.374 4.778 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1748917668 HYPREZATAJIESM-SBUREZEXSA-N 431.987 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)c1ccc(Cl)cc1 1749066096 GZPMNWUGNJSPSB-SXWKCWPCSA-N 428.964 4.553 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749089877 DSAVRXHLWZCWIF-INIZCTEOSA-N 439.785 4.758 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCC(C)C)CC1 1749335957 CIEHIRTWSYAZBS-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749438367 WAXKPTJNDFCYAW-FQEVSTJZSA-N 444.023 4.789 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1C[C@]1(O)CCCC1(C)C 1749528712 YVHDZZAPFYLECG-KBMIEXCESA-N 426.605 4.934 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@H]1CCOC[C@H]1C 1749552919 KQEJAPPJDMCKTP-IFMALSPDSA-N 436.625 4.990 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2OC)n1CC(F)(F)F 1749587227 MKEYXOGEQHBXKO-UHFFFAOYSA-N 440.853 4.998 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCC(F)(F)CC2)c1 1751458989 BVBXHXAGOIZJEV-QFIPXVFZSA-N 447.505 4.741 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1760142221 VXCXKNBFUDVVAO-GOTSBHOMSA-N 436.600 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCCC1(C)C 1760228832 UAWVOSQAVKODIW-XMMPIXPASA-N 426.630 4.676 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1760286010 YTZBZLQUGJZPDH-ILWGZMRPSA-N 438.641 4.801 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CCCCOC(C)C 1760289544 QCMQUIKLYFXWME-YADARESESA-N 428.552 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1760332688 KZYNGZQCBLTPIM-KNQAVFIVSA-N 436.629 4.887 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1760334288 YOFHIZOYMDEOGS-LJQANCHMSA-N 442.608 4.855 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1760353394 QLZVBHCSLXOYLK-UHFFFAOYSA-N 427.961 4.761 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1760379778 HNLYZFFXRIVUHD-GOSISDBHSA-N 446.910 4.830 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCN(C(C)C)C(C)C)CC1 1760388628 USIBRVXGNQVJML-UHFFFAOYSA-N 447.631 4.796 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1760405303 XHYPMVIOFKBSLH-UHFFFAOYSA-N 425.596 4.684 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1760406247 YCBJZFIQHXSYHY-IBGZPJMESA-N 441.645 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)S[C@@H](C)C1 1760415694 IEANJYLXSNLZHY-ROUUACIJSA-N 430.618 4.798 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@@H]1CCCOC1 1760436610 DPQLUKBAGXXQOW-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H]2CCCCCC[C@H]21)C(C)C 1760490253 SMIAFPOXWHOTFY-GMKZXUHWSA-N 449.647 4.593 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1760504763 BACGFTXIYKWLHK-JOCHJYFZSA-N 442.579 4.529 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1CC 1760564808 HUTXEQBEFDODIR-RTBURBONSA-N 449.665 4.691 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)[C@H]1C 1762845118 AWJPJZQARSUCJI-YXTQBTIXSA-N 439.629 4.742 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1768359782 FUDAAYDVAVSUDG-MOPGFXCFSA-N 431.556 4.972 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)s1)[C@H]1CC[C@H](C)C1 1771086380 GUUVGUWGCHLZBF-UWJYYQICSA-N 435.597 4.876 30 10 IJEE CCc1nc2ccc(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)cc2o1 1859750322 WEPRHVRAJQVDSV-UHFFFAOYSA-N 436.475 4.865 30 10 IJEE CCCCCCCCNC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860945059 JYDVOPSOTAQALF-UHFFFAOYSA-N 432.996 4.819 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F)c1ccc(F)cc1F 1862411722 NQGWZNSNPUDCGW-JOCHJYFZSA-N 437.417 4.925 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1OC 1862419744 XSEWMSGYEJLMHD-NRFANRHFSA-N 443.446 4.503 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862519540 MQNQTODHYAWXAH-BTYIYWSLSA-N 437.492 4.550 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(O)cc2)cc1 1862613510 JNCPTCITQBMBBV-HSZRJFAPSA-N 442.515 4.863 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 1862673918 RCKOJDCQHVNOFD-NRFANRHFSA-N 429.463 4.750 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 1862725115 BBVRVVUFJQIFFW-QHCPKHFHSA-N 447.918 4.968 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1863211504 UNUVKXLFMIWIRK-JTSKRJEESA-N 429.520 4.728 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCC(=O)Nc2ccc(F)cc2)c1 1865900129 JAAJXEAUMBKWBI-UHFFFAOYSA-N 429.451 4.594 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(C)c(C)c2)n(-c2ccccc2Cl)n1 1870003470 AFWJQPWNCUORQM-UHFFFAOYSA-N 435.959 4.897 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)Cc1cccc2ccccc12 1870110344 MXMFKTDTGJLYHX-UHFFFAOYSA-N 436.302 4.839 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 1870137349 IXDZFSBZFJPXKT-UHFFFAOYSA-N 430.295 4.877 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccc(Cl)cc1Cl 1870147958 OLCKZZVGAWIWAD-UHFFFAOYSA-N 441.322 4.688 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(C#N)nnn1-c1ccc(Cl)cc1 1870156730 BLDJVLBVCDEKQV-JTQLQIEISA-N 436.686 4.505 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2C(C)C)c(=O)cc1CN(C)CCCC 1870402367 XXTQAJPINUTJCI-UHFFFAOYSA-N 439.600 4.716 30 10 IJEE CCCCCCCOc1cn(CCC(C)C)c(CN2CCC3(CC2)OCCO3)cc1=O 1870411003 OZDZRCZMSMNYGE-UHFFFAOYSA-N 434.621 4.583 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(C[C@H]2COc4ccccc4O2)CO3)C1=O 1871353657 UMGKTXHRVQIYQU-AXKQXYKKSA-N 441.483 4.603 30 10 IJEE COc1ccc([C@H](C)N2COc3c(cc4c(c3C)O/C(=C\c3ccncc3)C4=O)C2)cc1 1871359380 NACUWSGODWYNOI-QWUOEIFBSA-N 428.488 4.928 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)ccc3C2=O)c1OC 1871372013 VDXMMDCERSOPSB-XKZIYDEJSA-N 434.419 4.607 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871793438 YIRIEDJIPUJCPV-IBGZPJMESA-N 441.380 4.896 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(N2CCC(C)CC2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872295538 RYLYXMUKMXUWAV-OFNKIYASSA-N 449.661 4.504 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1 1872362295 UCRBWAFWBRKTBE-INIZCTEOSA-N 446.516 4.751 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872493076 DWXNBSGGHJXWGF-HTAPYJJXSA-N 432.561 4.618 30 10 IJEE Cc1sc(C2=C(N)N(c3ccccc3Br)CC2=O)nc1-c1ccccc1 1872724295 AVYALFWRIJNCPZ-UHFFFAOYSA-N 426.339 4.598 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)cc1 1872874559 PSHBFGIOIYFBLC-QPJJXVBHSA-N 437.543 4.608 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCCC)=C(c2cccc(Br)c2)C1=O 1873228127 GIUUOFVATSXQTL-UHFFFAOYSA-N 441.325 4.616 30 10 IJEE C=CCN(CC=C)c1nc(Nc2cccc(NC(C)=O)c2)c2cnn(-c3ccccc3)c2n1 1873481915 XMLKBLSRBPYWRQ-UHFFFAOYSA-N 439.523 4.696 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(NC[C@H]3CCCO3)ncnc21 1873612110 GQNDYOCQRXSCKT-LJQANCHMSA-N 433.556 4.758 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(C(=O)OCCC)c3)c(=O)oc2c1 1873979358 FFRSENKFHLWRTL-UHFFFAOYSA-N 449.503 4.804 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874267762 NUECYJTVGSFJGB-SRZZPIQSSA-N 447.904 4.509 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cccc(OC)c1O 1874327509 QZDJLIOHAPGNRY-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2ccccc2C)cc1 1874335114 GZKJXQASTDUCKX-RVWJGDDESA-N 447.608 4.794 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(F)(F)F)cc1 1874463503 MQNHQAYUPPMKTA-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1Cl 1874467343 DQDMHWHSKIRGEG-OEAKJJBVSA-N 445.976 4.814 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CCC)nnc1SCC(=O)N(CCC)CCC 1874508821 XJJXNSUWWIAIGV-JJIBRWJFSA-N 445.633 4.642 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2OC)c1 1875151678 XBLYTDVBIFCHTQ-RMKNXTFCSA-N 432.428 4.548 30 10 IJEE CCCCc1ccc2nc(N(C)CC(=O)N3CC=C(c4cncc(C#N)c4)CC3)sc2c1 1891771692 IQRCFPVJFBAZKL-UHFFFAOYSA-N 445.592 4.658 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(F)c1C#N 1901481187 APCFXCGEAUTJQK-HSZRJFAPSA-N 443.478 4.953 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](O)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C 1922058618 YXAYLKKDULKPFM-BKMJKUGQSA-N 448.648 4.772 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 1922097552 AYLYXFRRYOVVDX-AABGKKOBSA-N 442.522 4.783 30 10 IJEE CN(C[C@](C#N)(N(C[C@H]1CCCO1)C(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1944385845 NETKZRGTJISFER-HXOBKFHXSA-N 439.597 4.578 30 10 IJEE CC(C)(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccc(C#N)o1 1952446132 HSVKRSBVYOZPQQ-QFIPXVFZSA-N 444.487 4.811 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@@H]1C1CC1 2018418044 LWRZETFUJQECRI-QRWLVFNGSA-N 447.498 4.858 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1 2057574329 WBRLRDUCQUSZJY-GLDPYIMESA-N 443.544 4.728 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(C)c2)C(C)C)c(I)c1/C=N/O 2079088150 XNVQBAQFBVTVAJ-MZYRPWKCSA-N 425.314 4.720 30 10 IJEE O/N=C/c1nn(Cc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079231872 HTOBREGHDVKYGJ-LKNXVUQUSA-N 434.109 4.679 30 10 IJEE CC[C@H](c1ccc(OC)cc1C)n1nc(C2(C)CC2)c(C#N)c1I 2079906415 ZMGRNAQRKCQQNH-MRXNPFEDSA-N 435.309 4.727 30 10 IJEE COc1ccc(CN(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1C#CCCO 2095885598 QDGPTUJSWWNYRW-UHFFFAOYSA-N 442.603 4.563 30 10 IJEE CC(C)[C@@H]1[C@@H](Nc2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2126371890 MXAXGVKPONDFHA-WMLDXEAASA-N 426.330 4.906 30 10 IJEE CC1(C)OB(c2ccccc2OCc2c(F)ccc(Br)c2F)OC1(C)C 2154467519 YMMFCIQYKUGMCF-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N(CC#N)CC(F)(F)F)cc1Cl 2181047738 PPTIZUPDAADPFU-UHFFFAOYSA-N 426.222 4.868 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(Br)ccc2F)NCC)C1 2183008379 NPNOPZSENSLXTL-GOSISDBHSA-N 441.385 4.970 30 10 IJEE C=CCC1(NCc2ccc(Br)c(OC)c2)CCN(C(=O)OC(C)(C)C)CC1 2192152668 WEOWPTZPIYTYQW-UHFFFAOYSA-N 439.394 4.893 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C)(C(=O)Nc2cc(Br)ccc2C#N)CC1(C)C 2199605334 HAOLTDNWLYPVOK-HXUWFJFHSA-N 436.350 4.685 30 10 IJEE Cc1sc(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)c(C)c1Br 2234512584 MVIITZMLCPIFLM-ORAYPTAESA-N 440.212 4.826 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2235719031 MZVBSQRNBMDGPP-RTBURBONSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)C#Cc1ccccc1Br 2235728716 MCMOLDXFSMCMDP-LJQANCHMSA-N 426.310 4.736 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@H](O)C#Cc2ccccc2Br)CC1 2235739959 LHZYKSKYMSTJJW-ZHALLVOQSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)C#Cc1ccccc1Cl 2245958510 RBRBSXLDUZEDNZ-HXUWFJFHSA-N 427.928 4.761 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2248078093 DMGWEURXEUEUTH-UHFFFAOYSA-N 427.781 4.938 30 10 IJEE CC(C)(C)OC(=O)NCc1ccccc1NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255534778 LUTICUKAWRZJFQ-UHFFFAOYSA-N 430.354 4.666 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2scc(Br)c2Cl)C3)OC1(C)C 2264616514 PGHFUPWYBDZQIW-BTDLBPIBSA-N 446.603 4.862 30 10 IJEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2267013180 GLLYBFYVISHMIW-HXUWFJFHSA-N 438.421 4.884 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2279534191 AEGKYKUFKQXUBA-JLMWRMLUSA-N 433.390 4.698 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@@H](N)C#Cc1ccccc1Br 2283404696 IVEAWLRXZJMHDL-INIZCTEOSA-N 431.330 4.856 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2296220402 XWDBAOBRADZRAR-QUCCMNQESA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2296230772 WUUAHKLMSUNPJG-NSISKUIASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@H](N)C#Cc1ccc(Br)cc1 2296300669 LBERGTCNAAWQML-RTBURBONSA-N 433.390 4.698 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2296308316 GLKOTBKQUXQXHL-OALUTQOASA-N 435.406 4.814 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C)cc2)C3=O)cc(OC)c1OC 2296865950 PKCCYHZCTBCVKA-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2ccccc2C)ccc1O 2297332831 ZBEKLAZLSRXWTC-VWLOTQADSA-N 441.483 4.892 30 10 IJEE O=C(O)C[C@@H](c1cccnc1)c1c(O)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2297577413 QCHPDXNYVWCQSD-AWEZNQCLSA-N 439.826 4.803 30 10 IJEE CCc1ccc(S(=O)(=O)N=C2S[C@H](c3ccccc3)C(=O)N2C2CCCCC2)cc1 2314397166 WBDXDKZAVSHLNU-OAQYLSRUSA-N 442.606 4.943 30 10 IJEE CCCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(OC)cc2)cc1 2322223637 DZPJQPPFRGHAOE-UHFFFAOYSA-N 440.569 4.648 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1OCC(=O)Nc1nccs1 2322542321 YIWFXGZFZCJWJN-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1 2323187042 YDFMDNSADIOYLD-UHFFFAOYSA-N 429.472 4.680 30 10 IJEE Cc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323201713 GGLOROHLBLQUCO-UHFFFAOYSA-N 444.439 4.633 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3C2=O)c1 2323331658 YRDOTCMXHRWGET-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE O=C(C=Cc1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 2324041627 RJSJWMAPAFHRAI-UHFFFAOYSA-N 435.407 4.980 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)cc1 2324465096 ZMBMLVHLFDNFAZ-INIZCTEOSA-N 445.471 4.726 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 2326399103 LEEQKVMWTJIDJH-UHFFFAOYSA-N 425.514 4.685 30 10 IJEE CCCCOc1ccc(C=Nn2c(COc3cc(F)ccc3F)nnc2SC)cc1 2327410451 AUPWYWACVUGWCJ-UHFFFAOYSA-N 432.496 4.918 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)cc1 2329278073 QEPABLRERMIXFZ-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE Cc1ccsc1C=Nn1c(CC2CCCCC2)nnc1SCC(=O)OCC(C)C 2330284461 AABDAOFVHILOKE-UHFFFAOYSA-N 434.631 4.944 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)c1 2330920398 PRRURYQYQJVJDW-NRFANRHFSA-N 438.553 4.630 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)c1 2331021467 VPGLCNZNLHKESX-UHFFFAOYSA-N 449.580 4.947 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)cc1OC 2331175861 KNEBAGKILUXJMV-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2C)c1 2331177854 FYIBLVNDMDGCLV-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)[C@H]1CCCO1 2331464592 VVWIWCXIXXDSQL-JOCHJYFZSA-N 440.467 4.552 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2c[nH]c3ccccc23)c1 2331493488 OOYKYPPNVXQERQ-UHFFFAOYSA-N 444.564 4.948 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1 2331636586 UYDMFAUNHBWAET-UHFFFAOYSA-N 431.924 4.636 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C(C)(C)C 2331894186 YUNFBRYXNPYNRA-UHFFFAOYSA-N 428.481 4.569 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574247 FOCRPTVUOWVAJY-GOSISDBHSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339599284 LKYLXATXANMRKN-FJOTYRSKSA-N 444.381 4.941 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2358670783 BETUETVVGJZKCF-KVPLUYHFSA-N 433.390 4.567 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(C)cc(Br)c2OC)C1 2365242725 CQMYUMNUPVJYFW-SFHVURJKSA-N 439.394 4.888 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)C2 2370319768 IPHQJBSTGIWNJO-QIJUGHKUSA-N 433.390 4.616 30 10 IJEE Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccc(C(=O)O)cc3)nn21 9856516 VBMAJFQUKUOABT-NRFANRHFSA-N 446.532 4.599 30 10 IJEE CCCCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 20850752 MBRCPKWPBRIVGI-GOSISDBHSA-N 427.530 4.737 30 10 IJEE COc1ccc(/N=C(O)/C(Cl)=C(\Cl)S(=O)(=O)Cc2ccc(Cl)cc2)cn1 33657575 MXKMOMSIUHSPMI-PFONDFGASA-N 435.716 4.593 30 10 IJEE Cc1cccc(/N=C2/S/C(=C3\C(=O)Nc4ccc(F)cc43)C(=O)N2c2ccccc2)n1 39863574 IXUXHDXAHDYSLH-HAWGXLLPSA-N 430.464 4.660 30 10 IJEE Cc1sc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C#N)c1C 40175185 QZBNFHSSFOKVDN-MRXNPFEDSA-N 445.548 4.554 30 10 IJEE CCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2cccc(CC)c2)cc1OCC 45939771 MVRJOLMCEBHCKC-UHFFFAOYSA-N 446.551 4.840 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N/c1cccc(C(F)(F)F)c1 100193710 KDKKEJAUBCCROG-DFVMWDSZSA-N 439.434 4.825 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CCCCC1 100222190 WKGQPFFFABZYMJ-JOCHJYFZSA-N 436.637 4.748 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1Cl 102484104 NBPAWCJTGYKUEV-SADKCHQCSA-N 434.879 4.678 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)o1 102592960 GPMBIALFYZEGMB-UIOAUKAKSA-N 429.472 4.533 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2ccccc2O)cc1 169923941 XVVVJWLSBDFMJA-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925518 JYNNDUFZXZTKDZ-DEOSSOPVSA-N 441.483 4.721 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)c1 170043804 MYSUQAJKLSNHLT-NRFANRHFSA-N 441.911 4.965 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc3ccccc23)cc1C 170046434 WHQHENXWARFQEG-XMMPIXPASA-N 428.532 4.597 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C(=O)O)cc3)[C@H]2c2ccccc2)cc1 170051158 GKOFBOTYXIFZRR-QHCPKHFHSA-N 441.483 4.726 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2c[nH]c3ccccc23)c1 170077066 FHWAMTANYBAVCQ-XMMPIXPASA-N 437.499 4.958 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccc(C)o2)c1 170102410 AJNGLKRCFXVJFF-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1cccc(OC)c1 170120289 FFCNITWPTTXTRD-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)cc(C)c2OC)=C(O)C(=O)N1C1CCCC1 170125957 BOWJBQAGCABGCR-JOCHJYFZSA-N 435.520 4.842 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccs2)c(C)c1 170160234 OJVWISFXEZBLEK-NRFANRHFSA-N 435.501 4.862 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)cc1 170186733 XCLBQOIJUFWKCM-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)cc1C 170189447 QVMDECQDPXTXLX-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OCCC)cc1 170215361 NSBQCZDKIZFBPT-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1cccc2ccccc12 170221106 WJZHLBWEOKOIBI-XMMPIXPASA-N 442.515 4.657 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2c[nH]c3ccccc23)c1 170256350 SRLSVHZMQWRBPI-QHCPKHFHSA-N 446.503 4.706 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCN(C)C)cc1 170267433 XHSYTLTZPALHHA-XMMPIXPASA-N 428.532 4.542 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccco1 170284297 JYULAMBPQZBPEZ-IBGZPJMESA-N 438.823 4.933 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccncc1 170369017 IEULHGLPHCNCTK-LJQANCHMSA-N 441.270 4.877 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OC)cc2)c1 170410601 GSKNQIPNULWMCE-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CCN(CC)CC/N=C1\S/C(=C/C=C2\Sc3ccccc3N2CC)C(=O)N1CC 205556513 OTEYEAOLHPQARO-ZSRPNXJVSA-N 430.643 4.637 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1 252628537 SSKDFTSETSERSD-UHFFFAOYSA-N 425.488 4.763 30 10 IJEE CC(C)C[C@@H]1CSC(=Nc2ccc(Br)c(I)c2)N1 385335605 SRXYXPWEVUVICZ-SNVBAGLBSA-N 439.160 4.792 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C 404373160 JHYBPVLXVXZIAP-YTFSRNRJSA-N 448.460 4.778 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCO1 460900251 BUVXFARZFSBROQ-JOCHJYFZSA-N 427.552 4.722 30 10 IJEE C[C@@H](Cc1ccc(O)cc1)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 461485625 ZVSWRUIWYBZVSX-KRWDZBQOSA-N 429.549 4.700 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 474512335 DAGLZAMZSXLYSR-HNNXBMFYSA-N 439.447 4.551 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1OCCN1CCOCC1 475572219 OQUAMRPJKIYXDV-UHFFFAOYSA-N 437.584 4.571 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 476128108 CDLGIESBAUBAPR-HXUWFJFHSA-N 426.582 4.578 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 482186107 LTJFNBNPLZKVKU-RUZDIDTESA-N 446.639 4.963 30 10 IJEE CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@@H]21 504242433 ZBPYCSQAPDWGIA-ANAFOTAVSA-N 428.532 4.743 30 10 IJEE N#CCCN(Cc1ccccn1)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 505163742 HEZSFTNBXQAXIS-UHFFFAOYSA-N 441.466 4.857 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1 505647002 SXWOIBKOLOUIBO-UHFFFAOYSA-N 444.531 4.667 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])o2)cc1 526515812 MECBIVKWDXLCNQ-JOCHJYFZSA-N 445.431 4.905 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(OC)c(O)c(OC)c1 526803452 ZQODGPVNUMVSGZ-CFRMEGHHSA-N 444.532 4.657 30 10 IJEE CC(C)(C)c1csc(NC(=O)c2ccc(NC(=O)NCc3ccccn3)cc2)c1C#N 586635156 YNPYXUJTSHFTNJ-UHFFFAOYSA-N 433.537 4.886 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(F)c(Cl)c1 733200073 ACDZJWHDDWZBIJ-LJQANCHMSA-N 443.931 4.771 30 10 IJEE Cc1ccc(O)c[n+]1/C(C(=S)NC12CC3CC(CC(C3)C1)C2)=C(/O)c1ccc(C#N)cc1 762441002 QOPKWOPOORZTCA-UHFFFAOYSA-O 446.596 4.629 30 10 IJEE C=CCC[C@H](C(=O)OCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1 778553441 VPXVITZSEUOBMR-NRFANRHFSA-N 425.506 4.538 30 10 IJEE FC(F)(F)C(=NOCc1nnc(-c2ccccc2Br)o1)c1ccccc1 784670104 ABOHTKOXPSIOSW-UHFFFAOYSA-N 426.192 4.982 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(OC)cc1 790280616 INRFDGOKENMWHA-FQEVSTJZSA-N 441.528 4.761 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CCCN1C(=O)OC(C)(C)C 790293597 OPNKLVWIQQARFB-AVRWGWEMSA-N 439.556 4.880 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800774765 CWLWZVPCZKLXIW-UHFFFAOYSA-N 448.571 4.515 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 806268319 BTQOEPUDHQSTNY-QFIPXVFZSA-N 438.593 4.690 30 10 IJEE CO/C=C/C(=O)[C@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1081829596 UGKGVXHSBYBMPT-ADKUPNDUSA-N 430.585 4.540 30 10 IJEE CCC(=O)OCCCCSc1n[nH]c(NN=C(c2ccccc2)c2cccs2)n1 1084492360 GRBDLQBPXDKOOQ-UHFFFAOYSA-N 429.571 4.556 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)c1 1125221174 CRPQLXVUCWMGIS-UHFFFAOYSA-N 438.911 4.980 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]2C3)c1 1125755219 FMZNKLQEBYFRQH-TZYAJKAJSA-N 432.520 4.697 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2[C@H]3CCC[C@H]2CC3)c1 1126794298 GMKZKFDVJZRNPJ-SFTDATJTSA-N 444.984 4.878 30 10 IJEE C=CCN(C(=O)c1sc(C2CCCC2)nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1128003166 JCFWVDZMKNXMBT-FQEVSTJZSA-N 426.582 4.912 30 10 IJEE C=C(C)[C@@H](CC(=O)N(C1CC1)[C@@H](C(=O)OCC)c1ccc(Cl)cc1Cl)OCC 1128065680 HUZQMBFITSDCCR-UYAOXDASSA-N 428.356 4.960 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCOc3c(Br)cccc32)cc1 1128369937 DPPUGWBSSCMTGO-UHFFFAOYSA-N 449.304 4.939 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 1128811211 RBUWYMLQARLAJV-QFIPXVFZSA-N 444.988 4.651 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)c1ccc(I)cc1)c1ccc(Cl)cc1F 1129738831 MBNDOEMBOOKAGC-APPDUMDISA-N 441.671 4.678 30 10 IJEE C#CCN(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 1138189227 AFHMINRIVTWVOP-UHFFFAOYSA-N 432.593 4.724 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 1138264063 IRGUPNVVJJWVKX-JLSDUUJJSA-N 443.371 4.664 30 10 IJEE C#C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CCC2 1159765153 XMSVGNYTTJFOMG-QJPKHSJYSA-N 434.898 4.628 30 10 IJEE CC[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1187798847 BPKKSDUIZGIXMC-RBUKOAKNSA-N 433.371 4.668 30 10 IJEE C=CCNc1nnc(SC[C@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)s1 1188523372 XQHJDJBADLJUNR-HNNXBMFYSA-N 436.603 4.545 30 10 IJEE CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c2cccc(Cl)c2O1 1189135420 BGUHFTBBRNKYTJ-GFCCVEGCSA-N 430.835 4.597 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@H](CC)c2ccc(F)cc2)CC1 1197523041 FQGHLUAELXZLDZ-AUSIDOKSSA-N 429.605 4.559 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCOc3c(OC)cccc32)cc1OC 1202985693 KJBHGEOMRLFTPW-QGZVFWFLSA-N 434.330 4.645 30 10 IJEE COCC1(NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCOCC1 1206442164 CBSJFEIFLWBKEZ-UHFFFAOYSA-N 431.945 4.680 30 10 IJEE C#CCN(C(=O)N[C@H](C)Cc1cc(C)nn1-c1ccccc1)[C@@H]1CCCc2ccccc21 1230590066 SMOVIKWHBYHHPF-FQRUVTKNSA-N 426.564 4.834 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1 1264208450 DUFOHTYGQIIZRZ-UHFFFAOYSA-N 443.956 4.901 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc3c2CN(CCC(C)C)C3)CCCN1C(=O)OC(C)(C)C 1264929059 WKKARLPJIORLTJ-AREMUKBSSA-N 439.600 4.780 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)nnc1-c1ccco1 1274032190 CDIVSTPAVIFROE-WOJBJXKFSA-N 436.581 4.906 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1CC)c1ccc(Br)cc1 1275474422 OFHLMYVCQPVXLQ-LJQANCHMSA-N 442.744 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1ccsc1Br 1286297702 YQMXKYBRVVQELE-HNNXBMFYSA-N 429.387 4.508 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccco1 1286315871 PFURBHJZQWKMJE-QGZVFWFLSA-N 442.361 4.784 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@@H]1C(=C)C 1286451233 VUMZHLBESNILNI-IIBYNOLFSA-N 449.382 4.605 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(CCC)Cc1ccc(F)cc1C 1286506892 PJXYLGUQLZRFDA-NRFANRHFSA-N 430.593 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CCSCC(C)C 1286528545 FWMRLELSRAKNAQ-HSZRJFAPSA-N 444.670 4.960 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286620966 XATLJOTUSBQTDW-WERVVEIQSA-N 430.980 4.649 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2OCCC2(C)C)CC1 1286637873 ODLZNPKASMREBK-SIKLNZKXSA-N 440.588 4.788 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(c2ccnn2C)CC1)c1ccccc1 1286678904 GVANYKUYPFXDLQ-HSZRJFAPSA-N 432.616 4.954 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@H](C)C1)c1ccccc1 1286681690 QVEYNDVHKCEUMM-VEEZHQPXSA-N 438.616 4.844 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2cccs2)C1 1286804667 LPYHIJWTHHGZTI-HNNXBMFYSA-N 445.386 4.599 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CSCCS1 1286960035 BXPRCJCFBPNOGF-DOTOQJQBSA-N 447.699 4.720 30 10 IJEE CC(C)C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1287338243 CZIBWNZRZFSDSW-JYFHCDHNSA-N 436.648 4.560 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3NC(=O)C[C@@H]3C=CCC3)n[nH]2)c1C 1293135080 SIAZTEADAQUTFQ-GOSISDBHSA-N 444.539 4.623 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cccnc1Oc1cccc(F)c1 1300611837 MOJMPJRFEXHTPI-UHFFFAOYSA-N 431.471 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCOC[C@H]1C 1300785584 ACMCPPDIWHFSMD-INGGGZDUSA-N 436.600 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)CN1CCCC1 1300790037 FLGDDKKZAYABEP-XMMPIXPASA-N 443.998 4.852 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CCSC 1300873421 GBYPZZOAZASADP-WDYCEAGBSA-N 436.025 4.553 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1SC 1300888229 IQTHVFBRJPPLLT-XUZZJYLKSA-N 449.624 4.603 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCCN2CC)CC1 1301134640 LXFCOHVLBGWQSH-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1301150091 MNSLKZNHSLZJCB-UHFFFAOYSA-N 433.604 4.672 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1NC(=O)CC1(C)C 1301168935 WWNOKTACMBECJW-NRFANRHFSA-N 446.599 4.591 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)c1ccccc1 1301294882 UHBNJEVQRYTJTL-LJQANCHMSA-N 439.604 4.819 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCN1CCCCCC1 1301350895 CORGGVOGYCYSFP-QHCPKHFHSA-N 441.595 4.727 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCSC(F)(F)F 1301365401 NTCPRLBHHQSTGB-UHFFFAOYSA-N 439.532 4.771 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1Cc1sc(C)nc1C 1301405943 MMAQRXRQEKBERA-UHFFFAOYSA-N 449.580 4.903 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2cccs2)C1 1301538901 MDRXAWGVKJMLLP-PXNSSMCTSA-N 442.560 4.643 30 10 IJEE C[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CC#N)CC1)N(C)C 1303691566 FYECDPHOEHVSJA-OAHLLOKOSA-N 443.020 4.893 30 10 IJEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1305604085 CCNRCOKYJJLTTE-PGRDOPGGSA-N 434.613 4.950 30 10 IJEE COC(=O)c1ccc2c(O)nc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc2c1 1307673627 BCVGDJLUNVOLFU-INIZCTEOSA-N 438.487 4.511 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2cc(C)c(C#N)cn2)c2ccccc2Cl)c(OC)c1 1311070091 HLCJVGUKFCKYFB-QFIPXVFZSA-N 436.899 4.843 30 10 IJEE CCc1ccc(N2CCN(C(=O)NCc3cccc(O[C@@H](C#N)CC)c3)CC2)cc1Cl 1312008682 BRLAIOQHHKEDHI-OAQYLSRUSA-N 440.975 4.615 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(CC)Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 1313281213 DBOZXGWTMYNASM-LJQANCHMSA-N 433.474 4.595 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl 1350954929 SXTAMYKWQJKORB-UHFFFAOYSA-N 443.931 4.784 30 10 IJEE C=CCCn1cc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)nn1 1352324989 GVKAHZIVGRXNKU-UHFFFAOYSA-N 440.551 4.596 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1OC 1357491938 GJDDISVYVIUNPQ-KSJYFJLQSA-N 446.591 4.690 30 10 IJEE CC(C)Cn1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)ccc21 1357766338 DEDQRGDBWBYWLI-SFHVURJKSA-N 434.927 4.814 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(SCCCC)c(C(F)(F)F)c2)c1 1358186740 RLEQEPSIKSAFQV-UHFFFAOYSA-N 448.510 4.972 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(C)(C)C1CC1 1358885843 SDLGBCXRTBCONO-SFHVURJKSA-N 446.599 4.520 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCC1(C)C 1358971253 NPFZBRZZXOZGGM-SFHVURJKSA-N 425.374 4.607 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1359062145 XHOWIZRXZWYILT-RTBURBONSA-N 444.670 4.960 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1(SC)CCC1 1359065789 BVOJLJPDEPHMGA-OAQYLSRUSA-N 432.540 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)(C)CC1 1359102206 YFAVFRFXECZTSU-VGSWGCGISA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@](C)(O)c1cccs1 1359107612 QHPKXZKXVKFINL-UZUQRXQVSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H]1CCc2ccccc21 1359107614 QNLLRVOUQMMICZ-ATIYNZHBSA-N 438.616 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1359115125 LHTZETCJQCPGDB-NHCUHLMSSA-N 425.621 4.896 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C2CC2)C1 1359129015 NLCDSTKTWNZCIX-MRXNPFEDSA-N 449.368 4.676 30 10 IJEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=C)c2ccccc2)CC1 1359169717 SEQMNGRCSDVFGX-SZPZYZBQSA-N 449.599 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359191516 CJBOMDIKRSSTDF-RTBURBONSA-N 429.584 4.517 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(C)C)C1)c1ccccc1 1359194326 SZPHVBFGYIRMPL-VWNXMTODSA-N 431.584 4.870 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCc1cccc(C)n1)C1CC1 1359246239 VBPBZTMPNJNPQK-UHFFFAOYSA-N 444.583 4.638 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1(C)CCCC1 1359256542 JJKOZWZKSXJQQM-UHFFFAOYSA-N 426.568 4.908 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccs1)N(C)C 1359258957 IDKZEHSHLVEXGM-LEWJYISDSA-N 437.613 4.687 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H](c1ccco1)N(C)C 1359260211 WZLXZDBAPIMSBK-JOCHJYFZSA-N 446.530 4.568 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1OCCC1(C)C 1359268552 UNMYRLSRJXAUDY-GOSISDBHSA-N 431.378 4.701 30 10 IJEE C=CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1359286061 QHEWIEXZFCGYNP-GOSISDBHSA-N 447.530 4.602 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2Cc2ccccc2C(F)(F)F)C1 1360783087 CGKZQDPBJKEGPZ-OAQYLSRUSA-N 426.446 4.537 30 10 IJEE CC(C)OC(=O)C1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 1455914469 FHQJMORXEQNREH-UHFFFAOYSA-N 426.900 4.808 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1457876082 FBLVXTGCXCLTAQ-SECBINFHSA-N 432.336 4.828 30 10 IJEE C=CCC[C@@H](NCCS(=O)(=O)c1cccc(OC)c1)c1ccc(C(F)(F)F)cc1 1459825671 MWPXYMNPXRJDOM-HXUWFJFHSA-N 427.488 4.785 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(F)cc2C(=O)OCC)s1 1462561509 BIXFYBVPEFMMJH-UHFFFAOYSA-N 428.938 4.793 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CCCN1C(=O)OC(C)(C)C 1464145225 WZLSGZRISBHCOZ-WMZHIEFXSA-N 435.634 4.593 30 10 IJEE CC(C)Sc1ccc(Cl)cc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1465604812 GEMPJQRVSJZEKD-BBRMVZONSA-N 438.981 4.721 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1466391723 YMUSVUNHPGTDMS-LJQANCHMSA-N 442.625 4.937 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1466682501 WREPXJMSAQJBIV-UHFFFAOYSA-N 431.558 4.528 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(SC)c(Br)c1)C(C)C 1467056909 UVAWLMMOWGHUEV-KRWDZBQOSA-N 426.424 4.991 30 10 IJEE C=CCC[C@@H](NC(=O)C1(c2ccc(Br)c(C)c2)CCCCC1)C(=O)OCC 1468127917 NVBWAVUFEZESDN-LJQANCHMSA-N 436.390 4.974 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1Br)c1ccc(Cl)cc1 1475366226 UTOOKJRPZNFTHA-QGZVFWFLSA-N 434.742 4.909 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1478552442 DTXGNCZZAPCLBK-KXBFYZLASA-N 435.446 4.673 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCC[C@@H]1CCCCO1 1504094862 CVEDRDINIPDXRR-WMZOPIPTSA-N 431.968 4.552 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)C)cs1 1507679758 QEFLUJVBYVXEGT-INIZCTEOSA-N 427.549 4.645 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CC(O)(CCC)CCC 1507682436 OMMSEPIJLXGRBT-UHFFFAOYSA-N 439.423 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C[C@H](C)C1 1507806161 RLCQGYSDGSTSFN-OVCNXMPXSA-N 430.543 4.611 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](COCC)C1 1507858176 GFZQOMHKRKRAJK-SFHVURJKSA-N 442.947 4.732 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(CC)[C@H](C)C1 1507859770 CTVIIUUCWIZXIV-LJQANCHMSA-N 432.012 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCS1 1508007698 FPBDMYNWKHFGBQ-DEOSSOPVSA-N 437.588 4.881 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccccc1)N1CCCC1 1508018217 PXCSCNJCOIOBCS-XMMPIXPASA-N 428.584 4.664 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[C@H](C(C)(C)C)C2)cc1 1508106409 WIIROLIOEPAICE-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)Cc2cccs2)C1 1508111741 IFQZBYPGNHGKJS-MSOLQXFVSA-N 426.561 4.806 30 10 IJEE COCCN(CCC#N)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1[C@@H]1C[C@H]1C 1519161011 DOMZNIVWUOWHHS-DKSSEZFCSA-N 431.968 4.636 30 10 IJEE C=C(C)Cn1c(-c2ccco2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 1523884882 NMFYCQBBWPUDOL-HXUWFJFHSA-N 437.931 4.720 30 10 IJEE C=CCn1c(SCC(=O)N2CCCc3cc(C#N)ccc32)nnc1-c1ccc(Cl)cc1 1526759245 HACOFMSCERVAGF-UHFFFAOYSA-N 449.967 4.728 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 1528415598 GRXVWMMVHVEWTN-MRXNPFEDSA-N 443.341 4.622 30 10 IJEE Cc1cc2ncc(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)c(C)n2n1 1529761276 FWXUZZGCPHECOR-UHFFFAOYSA-N 434.315 4.888 30 10 IJEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CCCc1nc(O)c2ccccc2n1 1531239401 JNIOMFUTHMKKFM-UHFFFAOYSA-N 439.475 4.664 30 10 IJEE N#Cc1cc(C(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)ccc1Cl 1531501115 BEPRUDJVXFBSTP-UHFFFAOYSA-N 449.913 4.892 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H](C)c2ccc(OCC)cc2)nnc1-c1ccco1 1531948083 QPXSCAXVRLNYNL-INIZCTEOSA-N 427.526 4.909 30 10 IJEE COc1ccc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)cc1C#N 1536115473 AQVNOYBRRNDVOT-UHFFFAOYSA-N 426.270 4.556 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(C(F)(F)F)cc3)C(C)C)cc2C1=O 1536269115 HUWJYLRJEZDJFI-IBGZPJMESA-N 430.426 4.615 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]32)cc1 1537824770 DSBJRWJUMVKWGN-ILWGZMRPSA-N 440.337 4.983 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CC[C@](C)(CC)O1 1539153353 AWBGUGPESYNFTB-CYFREDJKSA-N 435.597 4.794 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)c1nccs1 1539351091 LSLCDRJJGSEXIA-OAHLLOKOSA-N 444.402 4.736 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(CC)C[C@H](C)CC 1539506724 WYHKWMPREKPHLM-MRXNPFEDSA-N 435.435 4.946 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1539607399 DZOLENGRTSYFRU-MRXNPFEDSA-N 449.393 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCCCC1 1539652357 QZEOQUZFZOVPMO-UHFFFAOYSA-N 433.604 4.614 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539686073 DHYBUVVBZOQPBQ-HXUWFJFHSA-N 445.489 4.696 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1539749702 CSDCBMZISBWSSW-SVMVAKDDSA-N 430.543 4.755 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCC[C@@H](COC)C1 1539786779 AHNRUDRYHMCYKY-GOSISDBHSA-N 448.995 4.748 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ncc(CC)s1 1539793443 DYAFUECNRSXTCS-UHFFFAOYSA-N 439.976 4.539 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CCCCC2)CC1 1539897002 YDQSRMAZPSPYKJ-UHFFFAOYSA-N 442.629 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1539900923 XFIUNWTXLKIMMW-SFHVURJKSA-N 448.571 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2ccc(C)o2)nnc1[C@]1(OCC)CCOC1 1539932204 YCDNNYHOJKZQRV-DVECYGJZSA-N 428.577 4.775 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cnc(C)s1)C1CC1 1540099221 UOEUYDSLOIEYSC-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2cc(C(C)(C)C)no2)C1 1540883676 CRTJFNOBYQRNAB-IFMALSPDSA-N 449.599 4.935 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)/C=C(\C)c3ccc(C(F)(F)F)cc3)c2C#N)C1 1540918891 XWGHTVPGUFIYBF-FMIVXFBMSA-N 433.455 4.585 30 10 IJEE Cc1cc(NC(=O)CNc2ccc(C#N)cc2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 1542832948 DMIZGGRYMXLJCA-UHFFFAOYSA-N 433.821 4.775 30 10 IJEE C[C@@](Cc1cccc(Br)c1)(NC(=O)Nc1ccc(C#N)cn1)c1ccccc1 1563124477 HTMPIIFDTJRUGS-QFIPXVFZSA-N 435.325 4.995 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cc1OC 1568455602 UOUJESUEWZUDBT-GXDHUFHOSA-N 429.476 4.559 30 10 IJEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)c1cccc(SCC#N)c1 1570561244 CYUYDPJOTRAJES-QGZVFWFLSA-N 429.586 4.554 30 10 IJEE C#CC[C@@]1(C(=O)N2C[C@@H](C(C)C)Cc3cc(OC)ccc32)CCCN1C(=O)OC(C)(C)C 1584277914 UPFNZXSFGRPNHS-FNZWTVRRSA-N 440.584 4.650 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1584358788 CTIDLRHGKFIIFV-WMZHIEFXSA-N 439.600 4.623 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1C)c1ccc(Cl)cc1F 1584727668 UZHZLXRBHMCQIN-LJQANCHMSA-N 446.707 4.840 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)c1ncc(C)s1 1588314551 ISDHROPLTPWTRZ-INIZCTEOSA-N 432.553 4.628 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1593718237 QQJBFFHLUNNKTD-BEFAXECRSA-N 439.387 4.706 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1594697449 BPYKBQDHCWZCNF-HNNXBMFYSA-N 449.393 4.686 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1594709163 KKFJLACENIWSPI-SFHVURJKSA-N 425.968 4.615 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1csc(CC)n1 1595127761 YMBGIZICHIRYKC-UHFFFAOYSA-N 434.544 4.739 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCc2ccc(Cl)nc2C1)C(C)C 1595165812 MXACUQNKMQZXGR-NRFANRHFSA-N 443.039 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1CCO[C@@H](C)C1 1595190491 COTBDTIZXULARZ-ROUUACIJSA-N 430.980 4.991 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C)c2ccc(OC)cc2)C1 1595730031 SHZYPESINBJBST-DENIHFKCSA-N 426.605 4.850 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 1616487203 BQFOGGMQWDWQOH-UHFFFAOYSA-N 446.776 4.616 30 10 IJEE Cc1oc(NC(=O)[C@H](C)N2CCC(c3ccccc3Br)CC2)c(C#N)c1C 1617316634 CLHRZMJNJVOSFX-AWEZNQCLSA-N 430.346 4.737 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1618708377 SRAJHWMYCKMHDL-NVXWUHKLSA-N 437.590 4.700 30 10 IJEE C=CC1(CC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)CN(C(=O)OC(C)(C)C)C1 1624192796 JHLLWZBIJZGJNX-UHFFFAOYSA-N 430.936 4.586 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CC)C2CC2)c1 1629551140 GWRVPLZOPBVNDF-OAQYLSRUSA-N 432.973 4.640 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@H]1c1cnc(C(C)(C)C)nc1C2 1629838047 QMJCBNHMFAGIKB-QRFRQXIXSA-N 442.604 4.612 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 1630287401 ZTFSXDUSEYXBCP-QGZVFWFLSA-N 430.467 4.793 30 10 IJEE C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1633795574 HJQMXDCGOUODOT-MRXNPFEDSA-N 433.383 4.569 30 10 IJEE Cc1nc(NCC(=O)NCc2cc(F)c(C#N)c(F)c2)c2cc(-c3ccccc3)sc2n1 1634800675 APLTXRLIRZVMTC-UHFFFAOYSA-N 449.486 4.545 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1636557823 TUUHLEODHJCRDB-HYBUGGRVSA-N 445.991 4.980 30 10 IJEE C#C[C@H](CCC)NC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 1636563084 SCAISVRIILBVAA-MJGOQNOKSA-N 439.419 4.537 30 10 IJEE C=CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCCC1 1636701535 KZEOQFAFVABPBN-UHFFFAOYSA-N 434.508 4.774 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c(Cl)c1 1639821783 LSPDGGGNRCIYOG-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE C=CCOc1ccc(CNc2ncc(C(F)(F)F)cc2I)cc1 1639898487 ZYQZLDLVYCGWMC-UHFFFAOYSA-N 434.199 4.882 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCN(c3cccc(Br)c3)CC2)c(Cl)c1 1640456702 BLQCMHWPSFZSMH-UHFFFAOYSA-N 439.140 4.590 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cccnc2)nc2sc(-c3ccccc3)cc2c1=O 1640813735 KMOBBHGZVVVICM-UHFFFAOYSA-N 448.573 4.827 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1641354195 SJWFDHDLCYPKFH-DNVCBOLYSA-N 448.972 4.711 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H]1CCCN(CC(C)(C)C)C1=O 1643491100 KTKNXXORCNGEJD-SFHVURJKSA-N 449.020 4.826 30 10 IJEE C=CCC[C@H](C(=O)N1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1647927838 KMTPLOJESOZXMC-UNMCSNQZSA-N 442.600 4.753 30 10 IJEE COc1ccc([C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 1652790675 CUPGKGZLVSYRML-DQEYMECFSA-N 429.495 4.581 30 10 IJEE Cc1ccc([C@H]2CCC[C@H]2N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 1654328471 FDTUTAHCSGKTKP-WOJBJXKFSA-N 433.371 4.586 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2[C@@H]1O 1654431488 UNPOQSODPMFDCR-PKTZIBPZSA-N 440.588 4.699 30 10 IJEE C=CCc1cc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc(OC)c1O 1658093944 SOAJBPCJOOKPCF-IZZNHLLZSA-N 428.576 4.887 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H](CO)c2ccccc2C)cc1 1658869349 DVDLZECVCHQPCJ-JOCHJYFZSA-N 431.492 4.865 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F 1661002672 KIUVMHLFQWBMAN-UHFFFAOYSA-N 429.844 4.816 30 10 IJEE COc1ccc2oc([C@@H](C)NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)c(C)c2c1 1662017183 BEOZPWVKTXCDBX-GFCCVEGCSA-N 438.427 4.680 30 10 IJEE C#Cc1ccc(S(=O)(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cc1 1662401830 ONUGHJJPLRRART-UHFFFAOYSA-N 440.565 4.583 30 10 IJEE Cc1c(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)sc2ccc(C#N)cc12 1663241862 FXMBSCYDWTUDIB-QFIPXVFZSA-N 448.569 4.760 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(F)cc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1668177725 WBCWMZSIHSONDB-QGZVFWFLSA-N 445.434 4.617 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1669834474 JJLKXBXDPUTXBV-UHFFFAOYSA-N 436.556 4.637 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)cc(OC)c1OC 1671652363 MBAFEVIUNNYMLS-KSFYIVLOSA-N 437.540 4.515 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1671851390 FNVKVMFMMNOFRF-WRWLIDTKSA-N 437.531 4.774 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1)c1ccc(F)c(F)c1 1671852346 WESRSIXRELYNLT-SUMWQHHRSA-N 426.389 4.590 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 1672205821 BAMVAADVDKMIQM-HXUWFJFHSA-N 441.373 4.521 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1672708204 GZODKRSTSPDQTI-HZPDHXFCSA-N 438.410 4.892 30 10 IJEE COc1ccc(NC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)cc1C#N 1674302221 FHOQMLWERZJCKR-LJQANCHMSA-N 428.330 4.958 30 10 IJEE C=C(C)[C@@H](NC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)c1ccc(F)c(F)c1 1681782935 AUGJPQOQBCIVGJ-GOSISDBHSA-N 439.384 4.808 30 10 IJEE CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1cccc(OC)c1 1681956801 BBJHTRZOYXSJRV-ISJGIBHGSA-N 434.584 4.559 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCCC1 1682691671 CTBREJMNXCLYRA-UHFFFAOYSA-N 438.399 4.987 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CCCC1(C)C 1683517248 UASYVHJGJXNENH-INIZCTEOSA-N 433.350 4.775 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1F 1684421576 BEOGUSROKMVUMG-HNAYVOBHSA-N 439.840 4.750 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1689829011 UBIGDMGPFLPWRE-OZIGNCPNSA-N 428.552 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCC(F)(F)F 1689836015 XGJLYVMPZBOBDP-GFCCVEGCSA-N 445.283 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1690243107 HJIPXCKPEQVQHP-WFXMLNOXSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1cccc(Cl)c1 1690247872 HLNRCUKHHQLPNT-AVRDEDQJSA-N 432.996 4.626 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690280311 DTSNFHSXNFTFLH-RTWAWAEBSA-N 440.588 4.714 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1690296892 UYUNSDVYWMJOKH-NHCUHLMSSA-N 442.629 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1690422582 SXROMSRQTDNYRR-IBGZPJMESA-N 441.620 4.828 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C2CC2)C1 1690463007 SYGXYOKSPDYOJR-RTWAWAEBSA-N 443.636 4.985 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@@H](F)C1 1690556483 YGAAUXKZMACMPU-NHCUHLMSSA-N 435.547 4.988 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCN(C)C1CCCCC1 1690997211 GELKNNXAKUKSMD-HXUWFJFHSA-N 445.615 4.744 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2)c1 1693319573 FDGQIOJUDQDPRG-UHFFFAOYSA-N 434.613 4.699 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCSC1 1705577553 KODRHBGJODBTMN-QGZVFWFLSA-N 436.581 4.639 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1705664390 NTMPKNITJIUONC-VXKWHMMOSA-N 438.641 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1Br 1705705403 HEJBCXUSFSTOCT-NQIIRXRSSA-N 445.405 4.611 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2csc(C(C)(C)C)n2)CC1 1705781468 AMLLRSGVGXEADG-IBGZPJMESA-N 429.634 4.919 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1Cc1csc(CC)n1 1705857397 FJCMSVJOQLODDJ-UHFFFAOYSA-N 444.564 4.978 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(C)CCOCC1 1705881783 AOMZHHHNQJJHAJ-UHFFFAOYSA-N 444.645 4.731 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705912472 LGIDKMDQPIFBRS-SJLPKXTDSA-N 445.489 4.531 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705948607 YWDWQKJDMJMUSL-NNWRFLSQSA-N 426.630 4.834 30 10 IJEE C[C@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1 1706819125 FPUPARYIRONFAG-LJQANCHMSA-N 434.613 4.637 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CC(F)C1 1722490731 CJMSRUHWFVGKCW-KZGCJXQRSA-N 446.542 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCCSC 1722493973 BCHGXKKOMHGDCX-BEFAXECRSA-N 439.000 4.908 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC1CC(F)C1 1722531473 SJEJXQFQYZVTMW-MUYFXNHWSA-N 432.609 4.908 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](CC)OC)CC1 1722576176 KQMIDPJTZUEMNG-AWEZNQCLSA-N 425.396 4.597 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cc(C(C)(C)C)no2)CC1 1722581811 FCRCSCPZMQYACD-UHFFFAOYSA-N 435.572 4.902 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCSC1 1722598282 CCNOYGRITLWGNR-GHTZIAJQSA-N 428.602 4.726 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1722621537 XLIXMFVFVKGWDC-UXHICEINSA-N 428.552 4.605 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCN1CCC(C)CC1 1722660358 TYUFAJCXENDQHL-UHFFFAOYSA-N 427.612 4.930 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1722688026 DRAZNWPWUGABOS-LJQANCHMSA-N 444.988 4.944 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1Cc1csc(-c2ccco2)n1 1723419619 GJJXWGRIXIPPTR-UHFFFAOYSA-N 449.584 4.815 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(C)(C)C(C)C)cc1C 1724389556 COSIUHNDDZLIJO-VWLOTQADSA-N 436.604 4.960 30 10 IJEE CCc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CC#N)CC2)N(C)C)cc1 1727362835 ATSHALVWBQVNHN-QHCPKHFHSA-N 436.648 4.862 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740570720 ROXOVEWFHSNMBQ-MRXNPFEDSA-N 447.288 4.823 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 1740584189 DQBIHBAZLHZVDH-QGZVFWFLSA-N 439.560 4.811 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(CCOCC)CC1 1740599710 CVAWWUKKTQXWCX-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCC1CC(OC(C)(C)C)C1 1740733178 FIISFAZCWSSCBM-SCPLRKQGSA-N 441.645 4.610 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740850732 OZTRDYQQKCIKHB-UHFFFAOYSA-N 441.580 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1740851767 BTFGLFKEKCDSGE-OAQYLSRUSA-N 449.603 4.509 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740865423 UGIAZGWGBHKGPS-AABGKKOBSA-N 447.624 4.616 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H]1C 1740917183 JIXOTTPVGJLBBA-YADARESESA-N 443.599 4.640 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(Cc2cccs2)CC1 1740950230 XTVOOBNXANICDR-UHFFFAOYSA-N 446.045 4.794 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2cccs2)cc1C 1742250597 CEYWREYPOCIZPZ-XMMPIXPASA-N 448.596 4.582 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1748719214 UOICSEDCBAYPEZ-QHCPKHFHSA-N 433.625 4.839 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC1CCC(C(F)(F)F)CC1 1748800196 SAYKUPRQWGDVJM-UHFFFAOYSA-N 434.506 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC1(c2ccc(F)cc2)CCOCC1 1749155307 CFYIRQFBYSHJFJ-QFIPXVFZSA-N 442.579 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1CC1(O)CCCCCC1 1749170402 FVIQPCAJKYKBDP-UHFFFAOYSA-N 426.605 4.907 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N(C)Cc1ncc(Cl)n1C 1749368156 CFAQMBRAOIQTLV-UHFFFAOYSA-N 426.996 4.803 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1749415809 VCPBXMLKXSBHGY-LJQANCHMSA-N 441.482 4.565 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H](C)C1 1749429782 OQXKACCCPMCQQN-SLFFLAALSA-N 431.625 4.841 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCC2(C)C)C1 1749719096 NQXWQYKMOFFKSK-NQIIRXRSSA-N 428.552 4.604 30 10 IJEE C=CCSCCn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1749763618 DOERMFDFVOQZQB-PZJWPPBQSA-N 426.630 4.529 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760097336 CYVWZCWWSZCULQ-LWIATZKVSA-N 441.595 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CCCCC1 1760105781 VAPMZMFRMFCYIT-OAHLLOKOSA-N 431.378 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC1CCN(CCC(C)C)CC1 1760108423 FXOCUQPKTMWEOJ-LJQANCHMSA-N 428.024 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1cccc(OCC)c1OC(F)F 1760118641 JFBZRZQLPOLNJD-INIZCTEOSA-N 432.515 4.517 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760146998 DAQWIILBISNITK-BETUJISGSA-N 443.361 4.910 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(C)(F)F 1760212289 SWZKDDLOBUJBOZ-UHFFFAOYSA-N 435.522 4.861 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cccnc1OC 1760226451 UJHFLLWWYAJIGU-UHFFFAOYSA-N 437.956 4.725 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCOC 1760315943 KOZUIUDMFJPUHW-BEFAXECRSA-N 447.004 4.877 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccs1 1760327819 MKHZRHNRDFXGDN-AYWYSENESA-N 444.645 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760410297 ZRDVHKFCHMPDMR-GOSISDBHSA-N 435.576 4.833 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1760538100 WBKKQYYVTUCGKI-BZSNNMDCSA-N 438.494 4.997 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccsc1)N(C)C 1761358582 AEEZTLHKGPETLV-VGSWGCGISA-N 445.596 4.596 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H]2C(C)C)s1 1761772113 GMUYSKBXDDYUQG-IRLDBZIGSA-N 435.597 4.884 30 10 IJEE CCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 1763909532 BDEWHAJRWPDVSD-UHFFFAOYSA-N 429.572 4.947 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)c(C)n1 1764136222 AVLCJZHAHHCPPX-OALUTQOASA-N 431.588 4.652 30 10 IJEE C=CCOc1ccccc1CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1772658277 CLIUWHPTUODFOF-UHFFFAOYSA-N 439.377 4.768 30 10 IJEE CCc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 1857806564 FBJBHZBQPKBODZ-YUMHPJSZSA-N 425.561 4.936 30 10 IJEE N#Cc1ccccc1NC(=O)CCCCCNC(=O)/C=C/c1ccc(Br)cc1 1860914349 FUQUDUMZLVAPDZ-SDNWHVSQSA-N 440.341 4.649 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Cl)c1 1862417519 SSLYIMYLPYIRGS-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCCO)cc1 1862431483 IDOAJTDGZUGFDT-OAQYLSRUSA-N 427.928 4.643 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCN(C)C)cc1 1862432276 ARPZSELRXDGHPY-NRFANRHFSA-N 426.944 4.603 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F 1862474786 UZPCRSKLGURMOQ-JOCHJYFZSA-N 425.500 4.919 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862498861 SIXSCOLFAKYZBD-HXUWFJFHSA-N 447.362 4.750 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)c1 1862557154 JGMDOMIXUXTDRE-WAIKUNEKSA-N 428.488 4.617 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1Cl)c1ccc2c(c1)OCO2 1862627109 JZEDJHLWYACYTK-HXUWFJFHSA-N 425.868 4.590 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cc(OC)c(O)c(OC)c1 1862656726 MJMRPULVPLRZOF-JOCHJYFZSA-N 447.487 4.551 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 1862672584 DPSKEUBOKMMYPA-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2cccc(OC)c2)cc1 1862687129 GLHPLLMVZINILN-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(C(C)C)C1=O 1863544325 HNKCBFOZDNCKMO-UHFFFAOYSA-N 427.589 4.864 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(OCC)cc2)C1=O 1863568711 NADXLSRZCGQLIA-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE O=C(Nc1cccc(C(F)(F)F)c1F)c1cc(=O)c2cc(OC(F)(F)F)ccc2[nH]1 1866548083 WWSVBQQTQDHFCH-UHFFFAOYSA-N 434.267 4.837 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2c(F)cccc2Cl)cc1 1867929030 SUJBPBLSNGFPIM-FCHUYYIVSA-N 449.913 4.510 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 1870106206 CDRHAEDJNKGHQL-ULJHMMPZSA-N 433.515 4.940 30 10 IJEE C=CCn1cc(OCCOc2cccc3ccccc23)c(=O)cc1CSc1nccn1C 1870311778 ZWONWNKKUPLSGT-UHFFFAOYSA-N 447.560 4.671 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C(F)(F)F)cc1 1871252140 MSQUTOADQVYMAV-UHFFFAOYSA-N 427.426 4.950 30 10 IJEE O=C(/C=C/c1ccc(F)cc1)Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871366001 MVVLKQLKFNJWHN-ONFJSNPYSA-N 431.375 4.969 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C(C)=O)c4)ccc3C2=O)cc1 1871438724 OPBBPFIACNWVPZ-MSXFZWOLSA-N 443.455 4.532 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872059321 HMWNOYLEUQUVRN-OAQYLSRUSA-N 432.561 4.735 30 10 IJEE C=CCn1c(C(=O)NCCc2ccc(C)cc2)cc2c(N(C)Cc3ccccc3)ncnc21 1873594262 ORPGAXOHEGHFMO-UHFFFAOYSA-N 439.563 4.535 30 10 IJEE CCOc1ccc(/C=N/n2c(CCCOc3ccc(OC)cc3)nnc2SCC)cc1 1874221474 MMFQHTFJHZIWEH-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1cccc(OC)c1O 1874230750 ZYJZDARLCMEBIW-SSDVNMTOSA-N 432.933 4.527 30 10 IJEE CCCOc1ccccc1/C=N/n1c(COc2ccc(OC)cc2)nnc1SCC 1874292719 NILGADPIPYVZDC-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCO)n1/N=C/c1ccc(C(C)(C)C)cc1 1874301154 KQICOKKNLFQOAE-MFKUBSTISA-N 438.597 4.738 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1cccs1 1874476874 XDLJFPNFXYKOPT-HYARGMPZSA-N 427.599 4.858 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1cc(Cl)ccc1O 1874477869 MQIOKHOCYJAKIY-SSDVNMTOSA-N 448.932 4.534 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(OCC)cc2)cc1OCC 1874565348 VPBLDEYZZDLBSW-LFVJCYFKSA-N 440.569 4.626 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912177222 CTIHNUCEFVCXPC-IIBYNOLFSA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]21 2048094211 GUWUEONQQBPOOU-DRSNIGMVSA-N 448.568 4.996 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)C[C@H]2C[C@H]1CC21OCCO1 2048160271 HWWDYDUSMOPODC-MDOVXXIYSA-N 449.345 4.626 30 10 IJEE CC[C@@H](c1ccc(OC(C)=O)cc1)n1nc(C2CCC2)c(C#N)c1I 2080077909 LKTZCZGURKSMKL-KRWDZBQOSA-N 449.292 4.552 30 10 IJEE CC(=O)Oc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1 2080094478 KKRZYCAZDGREMA-CQSZACIVSA-N 448.239 4.643 30 10 IJEE C[C@@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Br)cc2C#N)C1 2181142729 ZNGZZZHEKRKQKB-ZUOKHONESA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1OCCNc1cc(Br)cnc1C#N 2183228872 ZJDQRMRCJSWNMO-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2235736721 ZWSOWLAAGKYYLH-UYAOXDASSA-N 437.422 4.966 30 10 IJEE C=CCCC1(C(=O)N(C)Cc2cscc2Br)CN(C(=O)OC(C)(C)C)C1 2266281508 NTYBBQCETAYRRV-UHFFFAOYSA-N 443.407 4.672 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]12CC[C@@H]1CCN2C(=O)OC(C)(C)C 2296218005 ZVUDKHXLXHFGQL-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2cccc(Br)c2)CCC2(CC2)CC1 2296225557 WLAOREGAZKPXFI-SFHVURJKSA-N 434.374 4.779 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1(NC(=O)OC(C)(C)C)CC=CC1 2296271852 IBFJZRCCRWUDPF-IBGZPJMESA-N 433.390 4.782 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CC1CCC1)NC(=O)OC(C)(C)C 2296300942 OSIAGDOPCMOPHR-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1 2297744107 XOKLDNGSCYGAGY-JOCHJYFZSA-N 448.544 4.800 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(N3Cc4ccc(OC)c(OC)c4C3=O)cc2)cc1 2313466152 FMYOMTWGAPODPH-UHFFFAOYSA-N 429.472 4.769 30 10 IJEE CN(C)c1ccc(C=C2SC(=NN=Cc3ccccc3F)N(Cc3ccco3)C2=O)cc1 2314841404 ZHWDOWVBCOARNR-UHFFFAOYSA-N 448.523 4.991 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)c1 2321096057 QEIBQBAIBPJQJX-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)C1 2321164848 QHRKULJJXWJWFS-UUOWRZLLSA-N 445.560 4.655 30 10 IJEE CCCCN(CCO)Cc1c(O)cc(C)c2c1OC(=Cc1c(F)cccc1Cl)C2=O 2324184674 GHJFZPZVLIUXLB-UHFFFAOYSA-N 433.907 4.704 30 10 IJEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC 2324693887 UWKBUVWVLNKRRE-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)c1 2325713537 MGYYMYRVKSYMAL-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1N=Cc1cc(Cl)ccc1O 2326846259 PVOSSQUGTHWXBZ-UHFFFAOYSA-N 446.960 4.999 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2327205363 XPGAEIHBFMAWPX-UHFFFAOYSA-N 437.525 4.667 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2327980193 YEZUMGSILKIZNU-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE Cc1cccc(C=Nn2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)c1 2330288343 DUZSTIMAVGUNTH-UHFFFAOYSA-N 428.602 4.883 30 10 IJEE C=C(C)CSc1nnc(-c2ccco2)n1N=Cc1cc(Br)c(O)c(OC)c1 2331205438 SDNHGUKQVNYKBH-UHFFFAOYSA-N 449.330 4.565 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2F)c1 2331669865 GTPOALNKEOZMIK-UHFFFAOYSA-N 443.523 4.910 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OC)cc2)n(-c2cccc(Cl)c2)n1 2331669912 NTVHAKFKZJFEQG-UHFFFAOYSA-N 449.942 4.760 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339588163 DTRZANFOFZRUNQ-MJGOQNOKSA-N 444.381 4.751 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)c1 2345672582 BZRJSKCFONEQNO-UHFFFAOYSA-N 444.312 4.968 30 10 IJEE Brc1cc(COCC#Cc2ccccc2)ccc1I 2350073425 OTHAORXPKXRBSL-UHFFFAOYSA-N 427.079 4.622 30 10 IJEE C=CCC1([C@H](N)CCc2ccc(OC)cc2Br)CN(C(=O)OC(C)(C)C)C1 2364859229 XANBIBQESDLKLY-GOSISDBHSA-N 439.394 4.531 30 10 IJEE C=C([C@H](OCCC(=O)O)c1sc(Cl)cc1I)C(F)(F)F 2366719736 CHFDYZLOHJJQRL-VIFPVBQESA-N 440.608 4.657 30 10 IJEE CCOC(=O)[C@H](Oc1ccc2c(c1)O/C(=C/c1ccccc1OC)C2=O)c1ccccc1 2401713 HCBSFPZFLZVEDZ-XSZPGNIMSA-N 430.456 4.995 30 10 IJEE C=C(C)COc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OC 9697416 LWBPUCQOJIKCFZ-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2ccc(OC(=O)c3ccccc3OC)c(OC)c2)c1 34955308 MKCGXFPMKXBHIG-XFXZXTDPSA-N 448.471 4.836 30 10 IJEE CN1C(=O)/C(=C2\S/C(=N/c3cccnc3Cl)N(c3ccccc3)C2=O)c2ccccc21 39864059 KJZSGGYGAULCME-OMVKCKKSSA-N 446.919 4.890 30 10 IJEE C=CCc1ccc(OCCCn2c(CCCNC(=O)/C=C\C)nc3ccccc32)c(OC)c1 40210311 QXOKCKRBEJCMTB-WZUFQYTHSA-N 447.579 4.867 30 10 IJEE CCC[C@@H](C#N)C(=O)Nc1c(Br)cc(Br)cc1Br 44814383 HIFUKOHAXQFGAS-ZETCQYMHSA-N 438.945 4.852 30 10 IJEE CCOCCC/N=C(/NCCC12CC3CC(CC(C3)C1)C2)Nc1ccc(C(=O)O)cc1 65304867 DISLRZXIWNQATQ-UHFFFAOYSA-N 427.589 4.775 30 10 IJEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccccc1Br 100507562 KGPHDLFXLRAAQP-HAVVHWLPSA-N 440.326 4.763 30 10 IJEE Cc1cc(Br)c(O)c(/C=N\CCCNc2ccc([N+](=O)[O-])cc2Cl)c1 109326080 AXSQTWVFLFZUPZ-JMIUGGIZSA-N 426.698 4.946 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2OC)c1 169939647 LZDBSJJNRQFKEZ-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2)cc1 170064900 TXEFCLHXWDVIOC-JOCHJYFZSA-N 425.500 4.782 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)c1 170066423 HTPFWZBXBCJQKG-VWNXMTODSA-N 449.547 4.966 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1C1CCCCC1 170123903 JZPDHVXNXRQYHZ-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)c(OC)c1 170131971 PUWGSCAZQYRKRB-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccnc1 170195996 TVWJEEXROYNDJG-GOSISDBHSA-N 429.314 4.613 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)cc1 170201819 FCAHKXGUYFXCQN-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)cc1Cl 170212061 QHOMKOSCARFEHB-SFHVURJKSA-N 447.318 4.918 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)o2)c1 170299596 ZTSVXLUPKAQLJK-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(C)c2C)o1 170302573 PYLHFJHDTOPJLP-HSZRJFAPSA-N 429.472 4.923 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(Cl)c2)c1 170366668 NMSWQWHJLAVITR-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE O=C(CON=Cc1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 254813083 RKCPJGCFYYOLEM-UHFFFAOYSA-N 447.966 4.624 30 10 IJEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1Cc1ccco1 255637104 FFCYZQZFLKWUNE-HXUWFJFHSA-N 437.496 4.888 30 10 IJEE CC1(C)CCCN(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)[C@H]1C#N 434012642 PUOFZOKTBQMDDH-SFHVURJKSA-N 427.574 4.676 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1F 438666166 POZORLPPVWZKNN-NRFANRHFSA-N 444.466 4.585 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 460962927 YWUXYDRSHUYQJU-QFIPXVFZSA-N 445.567 4.531 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 472462610 BUTBBMGBLLDLRU-UHFFFAOYSA-N 435.943 4.904 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 489671282 JBTZTHQEWMZCBR-QFIPXVFZSA-N 448.592 4.637 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 508798552 USMPVDHWUBRHAK-PNLZDCPESA-N 440.494 4.849 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 508953678 VUILIBJABGTIRH-UHFFFAOYSA-N 443.595 4.950 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)n1 511740551 KFRDUISGLPXLDR-ZIAGYGMSSA-N 430.361 4.524 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)s2)cc1 523813666 BFQHJPVFBMVVLO-KGLIPLIRSA-N 428.489 4.722 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)c(Cl)c2)c1 526606502 LEVRDAOWSBXKBL-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccco2)cc1 526829396 HBEDKZLEANOOLL-HAHDFKILSA-N 433.493 4.739 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cccs2)C1 549637468 ABOYZJPQYZQUKJ-SFHVURJKSA-N 430.961 4.726 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 555249701 XQSOJBNSSIIQQD-QHCPKHFHSA-N 429.568 4.674 30 10 IJEE C=CCCN(c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586245882 XWRVYKAINMHBLI-UHFFFAOYSA-N 441.380 4.601 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(CCCC#N)c1ccc(N2CCC(C)CC2)cc1 586247297 OIMFXQLMQRMMDM-UHFFFAOYSA-N 441.597 4.739 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1OC 609296847 ZIXXXSLRRNXDJJ-MRXNPFEDSA-N 432.480 4.515 30 10 IJEE N#Cc1cc(F)c(Nc2ccc(I)cc2F)cc1Br 697775999 RINMKVZHXCHGGC-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE COc1cc(C=NNc2ccc(C#N)c(C(F)(F)F)c2)ccc1OC(=O)c1ccncc1 726425682 BKLFYZSJDNVFGB-UHFFFAOYSA-N 440.381 4.646 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C[C@@H](C)c2ccc(C)cc2)C1=O 737414577 NFOXQYYQTYMSTK-BEFAXECRSA-N 429.973 4.520 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 749911279 NZVADFVUOJJDHY-XMMPIXPASA-N 436.512 4.640 30 10 IJEE N#CC1(CS(=O)(=O)NC(=O)c2ccccc2SCc2cccs2)CCCCC1 760401175 RNOAQFQCKNOYSD-UHFFFAOYSA-N 434.608 4.574 30 10 IJEE C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 790698685 RDIMUMMUYSOVNB-PGRDOPGGSA-N 449.576 4.766 30 10 IJEE COc1ccc(C(=O)C[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 796888010 JVQMYONWAJSVGF-QRWLVFNGSA-N 434.517 4.913 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 800592179 MXQZMRXSJSQTSO-UHFFFAOYSA-N 431.517 4.697 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800772596 INHLVFUDMTVRQQ-UHFFFAOYSA-N 437.544 4.713 30 10 IJEE CCCCNC(=O)NS(=O)(=O)c1ccc(N=Cc2ccc(Cl)cc2Cl)cc1 1084023647 PVMGQXVURPNEQM-UHFFFAOYSA-N 428.341 4.532 30 10 IJEE COc1ccc(C=NNc2nc3ccccc3[nH]2)cc1COc1ccc(NC(C)=O)cc1 1084122641 SOUWLBQJKFADPN-UHFFFAOYSA-N 429.480 4.555 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C(=O)c1cc(F)ccc1C)c1ccc2c(c1)OCO2 1124212735 SZJWTOQMBNFUMH-UHFFFAOYSA-N 447.462 4.844 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1127588697 OXNWWSOPKSVZGC-QRQCRPRQSA-N 439.383 4.834 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 1129234246 JQBJMVXJDNVQON-UHFFFAOYSA-N 433.552 4.948 30 10 IJEE C=CCCC1(CNC(=O)CCOc2ccccc2I)CCCC1 1131111670 VBMXRLSEKXEBPC-UHFFFAOYSA-N 427.326 4.703 30 10 IJEE C#CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 1135495304 XNUBLEDOLKSQNG-UHFFFAOYSA-N 438.984 4.727 30 10 IJEE C=CCC[C@@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1 1151867366 NCOZVQGTOGJRTO-GOSISDBHSA-N 429.442 4.740 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(-c2ccc(Br)cc2)ns1 1157502323 VQIIVLOUUDNPQH-UHFFFAOYSA-N 447.354 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 1160487858 IETBGJRGFXIABF-GOSISDBHSA-N 440.569 4.581 30 10 IJEE Cc1ccc2nc(CSCC(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)cn2c1 1162667592 FGCKUOSNFFQHKR-MRXNPFEDSA-N 446.498 4.836 30 10 IJEE CCOc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C(C)C)cc1OCC 1184908612 GXKPLEUVYBILRL-NRFANRHFSA-N 436.961 4.685 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)nnc1C1CC1 1188268871 KULYNSRFBRMMSN-UHFFFAOYSA-N 427.961 4.772 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC 1253519099 HVWHRMUPNDEITN-IBGZPJMESA-N 431.577 4.601 30 10 IJEE C=CC[C@H](C(=O)NCc1ccc(Cl)cc1I)c1ccccc1 1270686240 OZHAZGRHKADASV-INIZCTEOSA-N 425.697 4.921 30 10 IJEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC(F)(F)F)CC1 1286339391 KYFQKIQPCDJHLA-UHFFFAOYSA-N 436.478 4.545 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1CCC(F)(F)CC1 1286428233 RAKULCJXGSFMMD-UHFFFAOYSA-N 430.930 4.811 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](OCCC)CC1 1286498622 BLQMYSVJFKVHQZ-OAQYLSRUSA-N 449.624 4.645 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1C(C)C 1286632729 DXPZDSXSYOJBGR-QGZVFWFLSA-N 439.785 4.997 30 10 IJEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1286633126 UCDVFHSPZXMTRZ-UHFFFAOYSA-N 429.996 4.581 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nnc(CC)s2)CC1 1286637868 OACPHDYMJKEJOD-SFHVURJKSA-N 438.601 4.654 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN1CCCCC1 1286751620 RCQQSHQJSRJGBJ-PZJWPPBQSA-N 429.634 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC[C@@H]1C 1286754063 PINOLGWFESQSHX-DLBZAZTESA-N 431.378 4.559 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286776899 KBVGYTZCZGDKFU-QGZVFWFLSA-N 430.961 4.644 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccco1 1286798839 LRXGPSHQWOOGOM-LJQANCHMSA-N 429.524 4.667 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@H]1CC 1286824939 CSZJSLZRWWDLIN-GDBMZVCRSA-N 438.439 4.590 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1288513266 CXYHHZYJFNMPNC-LSJNQWAISA-N 430.478 4.924 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C)cc2OCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1292021130 GPLBXDDEPSCESS-UHFFFAOYSA-N 428.451 4.688 30 10 IJEE Cc1cc2c(NC(=O)c3csc(-c4ccc(Br)s4)n3)n[nH]c2cc1C#N 1300270524 FCQNFYKHKARQRG-UHFFFAOYSA-N 444.339 4.943 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)c1ccccc1 1300385736 DEVLEGBFRHWLDV-KRWDZBQOSA-N 440.389 4.699 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1cc(C(F)(F)F)ccn1 1300443345 DQTXMHUBMIGTLO-UHFFFAOYSA-N 441.501 4.969 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@@H](C)C1 1300569669 PQSUOMYESPERTJ-SJORKVTESA-N 443.364 4.746 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1300755117 LVXYHXVKPWZNQI-MSOLQXFVSA-N 439.654 4.903 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(OC)C1 1300872761 CWVUUGANPUIGML-NIJIEXERSA-N 448.970 4.724 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C2CCC1(C)CC2 1300972535 MQJIUOHKZSXDAP-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1ccc(Br)o1 1301018981 DXCGLWCVRDJNPS-UHFFFAOYSA-N 437.725 4.698 30 10 IJEE C=C(Cl)Cn1c(N2C[C@H](CCN3CCCC3=O)c3ccccc32)nnc1C(C)(C)C 1301060305 DQKBARDKPIKGBK-KRWDZBQOSA-N 427.980 4.576 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C)cc2OCCCOC)CC1 1301075646 MLWKUZMZWYFWAP-UHFFFAOYSA-N 436.556 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1Cc2cccc(Br)c2C1 1301149956 JIXVYGPDWTUNSO-UHFFFAOYSA-N 439.361 4.620 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1301207322 TUEDNKDVUGZSNP-SFHVURJKSA-N 442.951 4.649 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301214877 KCNZUZDVJALSJG-GGAORHGYSA-N 430.600 4.796 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCC1)C1CC1 1301314680 ZXFHYCIWNNGGSH-KRWDZBQOSA-N 430.980 4.922 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CCc1nc(C)c(C)s1 1301349793 SICBNYRLUREERW-UHFFFAOYSA-N 444.608 4.773 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CCc1nccnc1C 1301355000 NEKDBDIYNLIHHK-UHFFFAOYSA-N 434.563 4.684 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1CCc1ccc(OC(F)(F)F)cc1 1301380800 LCUHMXSJKAACSU-UHFFFAOYSA-N 429.446 4.660 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCC2CCOCC2)c1 1304268149 GAEGNDFYAVSSBR-HXUWFJFHSA-N 439.604 4.702 30 10 IJEE C=CCn1c(SCc2c(OC)cccc2C(=O)OC)nnc1-c1cccc(Cl)c1 1307322276 GJBRXCLBEGOBGN-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE CCCN(CCN1CCCCCC1)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 1307807648 DUOKRJDOLUIQAT-UHFFFAOYSA-N 427.637 4.618 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1nc2c(s1)C[C@@H](C)CC2)c1ccc(Br)cc1 1312937348 PJIKQXBDJKSXIX-WMLDXEAASA-N 446.414 4.936 30 10 IJEE C=CCN(C(=O)C[C@H]1CCC2(CCC2)CO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350012693 OLMXLQRAYWDORV-GOSISDBHSA-N 427.526 4.977 30 10 IJEE C=CCN(C(=O)[C@@H]1CCC[C@@H]1CCC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352004948 VVGWIJHSYGSTLK-QFBILLFUSA-N 432.611 4.949 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1357940103 NWQWXLSOEDYIJX-IBGZPJMESA-N 430.545 4.784 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC[C@H]1CCCCO1 1358896114 XLOBFHHBQZHQFF-PZJWPPBQSA-N 445.007 4.669 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1358935998 ZJSOAGFWPHXRKE-XMMPIXPASA-N 426.630 4.934 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1359062385 GGDOJLDXKLBUHI-JRSUCEMESA-N 430.662 4.578 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCO[C@@H]1CCCC[C@@H]1C 1359073078 BPMPFJQECMHMON-POGFHVCPSA-N 436.600 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCC(F)(F)F 1359102267 ZISZIFACBXJNQH-HRAATJIYSA-N 447.505 4.720 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C(C)(C)C)no1 1359114563 ORWZNPJIGQOPLH-UHFFFAOYSA-N 429.515 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1359186729 QVUOZOQPKLEUBB-UHFFFAOYSA-N 431.544 4.551 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1CCC 1359254765 CBWGVYNTAVDIRN-HSZRJFAPSA-N 434.632 4.904 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccc(CC)cc1 1359263217 UUMHZVQPCWFOND-UHFFFAOYSA-N 430.581 4.794 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCc1ccc(Cl)s1 1360480579 CKBPNLZXITZYDS-INIZCTEOSA-N 438.988 4.977 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccc(Cl)cc1F 1436652505 KIQOAHNZNZWADP-HXUWFJFHSA-N 436.849 4.699 30 10 IJEE C=CCc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC 1441447316 PCYJTWDEISHSML-BGYRXZFFSA-N 436.596 4.840 30 10 IJEE C=CC[C@@H](CO)CNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1447031059 XNZKDLDOPRETDO-OAHLLOKOSA-N 425.326 4.579 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1 1447708156 UZRGKVRIYXMFHC-GOSISDBHSA-N 444.494 4.792 30 10 IJEE CC(=O)c1cc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)ccc1C 1452487084 DNKHZOSODCEOKZ-QFIPXVFZSA-N 433.508 4.542 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F 1455230054 ZXZAAFFREUTRTO-SJLPKXTDSA-N 447.375 4.535 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CCCN1C(=O)OC(C)(C)C 1458170253 BRSSBIRJYJEJDW-HOYKHHGWSA-N 432.536 4.890 30 10 IJEE Cn1cc(CNC(=O)c2cnc(-c3cccc(Cl)c3)s2)c(-c2ccc(C#N)cc2)n1 1458851618 DBOKMOYHHSBEKW-UHFFFAOYSA-N 433.924 4.666 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1460783429 CRMIGOGQUZZYFN-LJQANCHMSA-N 443.341 4.578 30 10 IJEE CSc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)N(C)C)cc1 1465431220 AHPZUVWNQQUJDS-QFIPXVFZSA-N 447.564 4.892 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nc(-c2ccncc2)cs1 1466816002 ALSJPFCUSYEMNT-UHFFFAOYSA-N 445.342 4.854 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1467587188 JNLPTZCFEBEGBC-LOSJGSFVSA-N 430.548 4.564 30 10 IJEE C#CCN(C(=O)NCc1ccc2c(c1)CCC2)[C@@H]1CCOc2ccc(Br)cc21 1467857087 VFTKNYMCZIROJF-OAQYLSRUSA-N 439.353 4.606 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 1468848957 SGHCKDCEALARNI-HXUWFJFHSA-N 427.342 4.728 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)[C@@H]1CCCO1 1469868223 PCXJRGZAJFHJQW-CTNGQTDRSA-N 432.442 4.820 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2cccc(OC)c2)CC1 1471156339 IPISSQPTKYLMSC-JOCHJYFZSA-N 430.589 4.726 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1)c1ccccc1 1471203766 PBWXLJDOUGXGNW-RUZDIDTESA-N 437.584 4.629 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 1475912687 JGWMECHENAHPDG-UHFFFAOYSA-N 429.325 4.508 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)Nc1scc(C)c1C#N 1476558669 HVQMYLMTELSYFH-OALUTQOASA-N 440.569 4.972 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 1478478283 HSVUYOGBQLSTBG-QFIPXVFZSA-N 434.337 4.609 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)C[C@H]1CCCO1 1507557125 SPVDSURNVWKZIK-QGZVFWFLSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](CC)O[C@H](C)C1 1507559322 QTRGXDVYIUVDLU-SJORKVTESA-N 431.378 4.515 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H](C)N1CCCCC1 1507618976 FJMHCZWCLPOKIE-GOSISDBHSA-N 432.037 4.558 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CCCC1(C)C 1507682199 LHLVKBWKMDRPKF-SANMLTNESA-N 448.567 4.518 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507765416 OHCVOQPLGIJCBE-RUZDIDTESA-N 446.555 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(F)ccc1SC 1507811653 CSKLCZFLCTYVKL-QHCPKHFHSA-N 448.608 4.630 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507872611 LIHYIDSJNUMGMQ-GASCZTMLSA-N 440.922 4.736 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCC(C(F)(F)F)CC1)C(C)C 1508011537 SQTGOOHMQYPKNY-IBGZPJMESA-N 427.559 4.879 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 1508019433 DVAVAFPEYFSJEF-QDMVCWPOSA-N 428.621 4.580 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(Cc2cccs2)CC1 1508048261 LNANMHDCLDGVAE-HXUWFJFHSA-N 437.613 4.605 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508163053 SLXVHOLOIDPPQE-XMMPIXPASA-N 428.646 4.738 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H](C)C#N 1510499673 GKTMPJGCIFMJJS-GFCCVEGCSA-N 448.365 4.861 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)cc1 1517878140 HUPIOKDDMUTPFG-UHFFFAOYSA-N 444.413 4.548 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1sccc1CC#N)c1ccc2c(c1)OCO2 1521283691 FLIGKDYZTGSTPF-UHFFFAOYSA-N 432.501 4.955 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)CCCN1C(=O)OC(C)(C)C 1522702890 VVEGCHBGEBYENS-DFBJGRDBSA-N 445.604 4.857 30 10 IJEE C=CCN(C(=O)c1cccc(Oc2ccccn2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1522958661 HJVPWFJVNMYSII-HSZRJFAPSA-N 430.504 4.677 30 10 IJEE CCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(OCc3ccccc3C#N)cc1)CCO2 1523449606 ADJZMLGCWNJNOZ-XMMPIXPASA-N 428.488 4.790 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Br)cc2OC(F)(F)F)c1 1525058342 ASFFFOXOGWEVHW-UONOGXRCSA-N 425.204 4.962 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(I)cc2Cl)cc1 1528437816 DGXXLRIYLIFPPG-UHFFFAOYSA-N 428.653 4.866 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 1531299358 FJWPAGZHMLANJB-FNORWQNLSA-N 436.386 4.517 30 10 IJEE Cc1ccc(-c2csc(NC(=O)COc3ccc(C#N)c(Br)c3)n2)s1 1531885072 GEWDQLBJSSSLCE-UHFFFAOYSA-N 434.340 4.832 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1OC 1534802768 BNPQVVPYXDWGSW-WEVVVXLNSA-N 434.883 4.623 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)C2(C)CC2)nnc1-c1ccc(Cl)cc1Cl 1538885742 UDCYEUBNSLCAAZ-GFCCVEGCSA-N 425.385 4.835 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CCc1nccs1 1539093697 COULTHQEGVBIIC-MRXNPFEDSA-N 429.977 4.620 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCOC1CCCCC1 1539158772 LBOCKEYJEQXUJZ-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1(C2CC2)CCC1 1539304623 CPSPETBHFZNRHW-UHFFFAOYSA-N 443.414 4.812 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC1(CCOCC)CCCC1 1539558087 AAZHXDWQDZYNNA-RUZDIDTESA-N 438.591 4.987 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Cc1ccc(OC)cc1 1539562635 BZQAVAMYGLWRKB-AVRWGWEMSA-N 449.624 4.513 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCCc1ccccn1 1539585943 DNMQSPQTMZYNIW-UHFFFAOYSA-N 440.389 4.880 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)CCC 1539622364 WRTGYUGLKONJRJ-WMLDXEAASA-N 439.423 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1nccs1 1539642711 JPHONVJPVFOUSI-OFNKIYASSA-N 437.613 4.528 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1539835196 AETYWLLRWBGZJI-JOCHJYFZSA-N 439.604 4.825 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)c1ccccc1 1539932278 ZYOUKEXJGSHAQQ-ILWGZMRPSA-N 435.616 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CCc1cc(Br)ccc1F 1540140856 UXHPYCCJATWAGM-UHFFFAOYSA-N 435.366 4.985 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@H](CC)C1 1540911071 RSGFFLALOBJRSI-QGZVFWFLSA-N 440.585 4.798 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1540919983 KOWVKZLFHGXXGK-GOSISDBHSA-N 436.572 4.875 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)OCC 1544338740 IRWZEFSRDBMLOJ-INIZCTEOSA-N 442.821 4.697 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)c1 1561370220 GCLVILTWHOUPPV-UHFFFAOYSA-N 446.153 4.595 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 1564067495 WYPIEAFUGVJMDZ-FQEVSTJZSA-N 427.342 4.816 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 1564081569 DHXDNHIGCBHZRR-RTBURBONSA-N 428.374 4.514 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(OCC)c(OCC)c1)c1ccc(F)cc1 1569485852 ISTHZVLNUMNTJT-HSZRJFAPSA-N 445.490 4.958 30 10 IJEE C=CCSCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 1584673608 QZNUDKFBQWMXRU-UHFFFAOYSA-N 439.581 4.703 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1587813017 GUIZTCMMFUFUJR-YADHBBJMSA-N 444.627 4.685 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCC[C@H]1CCCCO1 1588180785 KQXZCUCJBBOAPO-DNQXCXABSA-N 448.611 4.847 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)CC[C@H]1C 1588984679 IWPQJRIDWDJOOR-ZCNNSNEGSA-N 442.629 4.808 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N(C)Cc1cc(Cl)ccn1 1589434427 GVJYUUGDKQBTIQ-UHFFFAOYSA-N 446.780 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1589560459 ZNUXSXBVMSEPJV-QEEHTWDDSA-N 426.527 4.627 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 1593653069 NWPJWMIRGPASNG-GOTSBHOMSA-N 443.632 4.749 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1593796232 LUGYJQCWCRZSPF-UHFFFAOYSA-N 430.943 4.662 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1593878296 GZUSSIIMLUFRCJ-SOLBZPMBSA-N 438.016 4.627 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1594133952 HKGACOCQPMLLKI-NRFANRHFSA-N 425.646 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(C)C)CC1 1594522045 UVRANIUPWVGVHZ-UHFFFAOYSA-N 434.632 4.661 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1595119600 AWQYODSJSZEIDO-UHFFFAOYSA-N 449.990 4.608 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCc2ccccc2C1)C(C)C 1595165190 CEBMRQBZSSGCBC-VWLOTQADSA-N 444.627 4.545 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H]1CCO[C@H](C)C1 1595184829 DEZQYOIOCGNVCM-UXHICEINSA-N 432.572 4.719 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1Cc1cc2ccccc2s1 1595244294 YUBQGUFIOGWXRW-UHFFFAOYSA-N 449.580 4.507 30 10 IJEE C=CC[C@]1(C(=O)NCCc2c(OC)ccc3ccccc23)CCCN1C(=O)OC(C)(C)C 1597484776 MHOAIJZLPSQJQR-AREMUKBSSA-N 438.568 4.853 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1Cc1nc2cccc(Cl)c2n1C 1606951520 FWJCLFGTYPEDER-UHFFFAOYSA-N 442.011 4.930 30 10 IJEE C#CC[C@@H](CO)Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 1612435875 VZJNIOCEMCVSNQ-AWEZNQCLSA-N 429.998 4.922 30 10 IJEE COc1ccc(/N=C2/S[CH][C@H](c3ccc(Cl)cc3)N2CCN2CCOCC2)cc1 1615908440 IDKJJMZHJSBAMP-PZJQAWQVSA-N 430.981 4.620 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)n(Cc2ccco2)c1C 1618195417 BPSJOFHVLUFCFH-HCLVMJGWSA-N 430.552 4.823 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)c1ccc(Cl)cc1F 1623825267 BHTPRPPTWQHIIH-AEFFLSMTSA-N 425.674 4.770 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(-n3ccc(C(=O)OCC)n3)c(F)c2)CCCC1(C)C 1626852465 XVHDBNNUECIJOT-FQEVSTJZSA-N 428.508 4.787 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)C1 1628820404 LYVMKASBCGTKHJ-IBGZPJMESA-N 431.536 4.985 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 1632474603 VGUYPSPAYCQBGY-TZMCWYRMSA-N 442.812 4.720 30 10 IJEE C#CCN1CCC(NC(=O)c2ccccc2SCc2ccc(Br)cc2)CC1 1635159635 AZSXKDKVMBOPGB-UHFFFAOYSA-N 443.410 4.569 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)c1ccc(Br)cc1 1636541278 BSDJZRACUAJMOF-VQTJNVASSA-N 431.761 4.558 30 10 IJEE C#C[C@@](C)(CC)NC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 1636940638 HIENUWIGCQCGRV-QHCPKHFHSA-N 439.606 4.734 30 10 IJEE C#CCN(CC(=O)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1)C(=O)OC(C)(C)C 1639981774 ZISPEBLUDMXTIY-VQTJNVASSA-N 436.552 4.874 30 10 IJEE C#C[C@H](CO)Nc1nc(CSc2ccc(Br)cc2)nc2sc(C)c(C)c12 1642727830 LYAZORHCIWGQRH-CQSZACIVSA-N 448.411 4.769 30 10 IJEE CCCN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c2cc(F)ccc21 1642967138 FDLNARIZQJJBJX-UHFFFAOYSA-N 437.563 4.906 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)C(C)C 1643753114 IVEULENITWXZSI-UZKOGDIHSA-N 442.629 4.855 30 10 IJEE C#CCN1CCC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1 1651554837 WWLUIWGIFQPZFZ-QHCPKHFHSA-N 430.621 4.839 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2nc3ccc(Br)cc3o2)CC1 1653479645 CCIFPGDWOHIHOO-GOSISDBHSA-N 445.748 4.626 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(CN(C)C)ccc2OC)cc1OC 1655888569 LMTZRJYXFZPDON-UHFFFAOYSA-N 435.362 4.705 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CC)CCOc2ccc(Br)cc2)cc1 1660526066 BXZQLPFENTYGCA-UHFFFAOYSA-N 438.387 4.657 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Br)C2 1661286655 GFDYQKGTUOXRME-UHFFFAOYSA-N 445.264 4.573 30 10 IJEE C=CCN(C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)[C@H](C)COC 1667161359 ISLLJCSCRVHTFP-MRXNPFEDSA-N 449.473 4.690 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H](C(N)=O)c2ccc(Cl)cc2)cc1 1670053849 IBMBDSGTVPNJNG-HXUWFJFHSA-N 436.924 4.711 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCCCc3ccc(Br)cc3F)cc2n1 1675013121 SCAQOCCTYYZFLJ-UHFFFAOYSA-N 431.309 4.878 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1 1677504021 FJWXEHYZMUTYMM-UXHICEINSA-N 427.932 4.580 30 10 IJEE C=CCC1(NC(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CCCCC1 1677742477 PCILYGCHRDSIQX-UHFFFAOYSA-N 438.538 4.535 30 10 IJEE C#CCN(C(=O)NCCCc1cccs1)[C@@H]1CCOc2ccc(Br)cc21 1680402808 RAKMPJFDCDPSNT-GOSISDBHSA-N 433.371 4.612 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1)c1ccccc1 1680581811 XWRQUOGHHOXYKD-RBUKOAKNSA-N 427.570 4.835 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCOc1ccc(Cl)c(Cl)c1 1682928466 OIIILDFUQBHRRU-UHFFFAOYSA-N 425.360 4.938 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)c1ccc(F)c(F)c1 1686174146 YHJWYSGNIBTSQV-UXHICEINSA-N 432.421 4.683 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N1CCC[C@H](C)C1 1689839441 GMUHRIGRMOBNMN-ULQDDVLXSA-N 434.415 4.830 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1689938812 XEEXSTQGZRIZDK-HXUWFJFHSA-N 449.624 4.982 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1cccc(C)n1 1690005905 DOTSHFIJPSIACV-LJQANCHMSA-N 443.620 4.540 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690200282 QTFVLUYZPLUQTL-VVZHRXSXSA-N 431.584 4.650 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1690225513 BEVSDQBXTLUBNF-HOTGVXAUSA-N 441.377 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1ccc(F)cc1 1690246127 RCIFAUWFFCPILP-NNWRFLSQSA-N 428.552 4.667 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCSC1(C)C 1690257527 MGFVSEAILDFJRP-AWEZNQCLSA-N 438.439 4.970 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690453861 LOYMBGYGVPISLJ-JPYJTQIMSA-N 430.980 4.729 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690455585 KTBMEKJDLOHHMU-DEOSSOPVSA-N 448.615 4.583 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690475242 KKDLGJVLNJBLFU-SJORKVTESA-N 432.410 4.593 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690558518 STQNWILQSQHTDW-JHDGKUDLSA-N 442.567 4.608 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(F)(F)Br 1690585475 MFQPWDKIVAKFTK-UHFFFAOYSA-N 448.315 4.968 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(C)C 1693524034 CCPCUZUJLRAEEV-QGZVFWFLSA-N 436.560 4.620 30 10 IJEE C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1)N1CCC[C@@H](C)C1 1693664346 FUISMLOPJYQWEW-MOPGFXCFSA-N 441.023 4.849 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1(C)C 1696192342 GRBQETWOFVRJFZ-RTBURBONSA-N 429.515 4.502 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCc2sccc2C)c1 1705507270 WQAXVZVVBZYVPN-UHFFFAOYSA-N 449.624 4.536 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C1CC1 1705605057 ZVQWXUPMTHCMID-YLJYHZDGSA-N 430.980 4.573 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCC(C)CC1 1705606447 SIERNTUOVJECKU-UHFFFAOYSA-N 445.405 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705607810 RHRHUQNVFFAMEU-GHTZIAJQSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N[C@H](C)c1ccccc1 1705672643 DRSPXKLUUHELEB-LIXHSBQKSA-N 435.616 4.641 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CC1CCC1 1705697137 KKIZTIAKCUACNG-VQIMIIECSA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1705714861 JNBYXYDVYLPSPR-XMMPIXPASA-N 446.599 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](SC)C(C)(C)C 1705719520 BFYFWYVJPJQQEJ-HXUWFJFHSA-N 427.618 4.909 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC(F)(F)C1 1705727113 GMCMRRZOUHBBQZ-UHFFFAOYSA-N 441.320 4.677 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1705776596 JZDYDDRALKULCR-BVZFJXPGSA-N 442.579 4.901 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1705776597 JZDYDDRALKULCR-CJAUYULYSA-N 442.579 4.901 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(COC)CCC2)CC1 1705778029 YFCCJMBDJKGZDH-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cccs1)c1ccccc1 1705796808 KRLFQMVKSBVYFT-MISYRCLQSA-N 435.597 4.848 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705812494 BHKFBSPVFIQHJS-CYBMUJFWSA-N 446.315 4.791 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@@H]1C 1705834353 JFGQKVNOGPPZQX-UNMCSNQZSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC1(COC)CCCC1 1705837622 IZWJTECDJBPZOX-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn2ccc(C)cc2n1 1705871329 GICLNHGXJDHEJJ-UHFFFAOYSA-N 436.922 4.920 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)Cc1cc(C)cs1 1705912448 KMOWMLDALJRNMG-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(C)(F)F)c2)C1 1705919453 FCCHPMQZAPCMHJ-IBGZPJMESA-N 428.483 4.788 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)C1 1705941508 MCLRAJKVKSNOLD-CYBMUJFWSA-N 425.371 4.612 30 10 IJEE C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1708036438 ALKSQARDSWOELZ-QKKBWIMNSA-N 434.371 4.543 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C#N)CC1)C(C)C 1710402514 DQLUUBKUNUINAZ-FQEVSTJZSA-N 433.959 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)C 1722277147 HOQFLERIVPNKPG-SKPFHBQLSA-N 431.584 4.711 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)s1 1722421470 NGHXGOLWGCOCOV-UHFFFAOYSA-N 431.540 4.846 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCc2ccc(Br)cc2C1 1722462565 WQZQETDLFQBYDR-UHFFFAOYSA-N 447.446 4.558 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722506541 SOFSWZUZQILLNJ-MRXNPFEDSA-N 433.984 4.914 30 10 IJEE C=C(C)COCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H](C)CC#N 1722529656 YJWQDBSBYIVFTR-QGZVFWFLSA-N 436.585 4.708 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCCC2(CCOCC2)C1 1722530891 CTRJIXMGWQJKCB-UHFFFAOYSA-N 430.980 4.588 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1722601764 VLIGGYFOEKQCMN-KRWDZBQOSA-N 427.593 4.757 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722606381 NHCOYJSGGKYKCP-UHFFFAOYSA-N 432.616 4.561 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1722606821 IGTNDUREMWSDHS-OXJNMPFZSA-N 439.541 4.847 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CCCNc1ccc(C(F)(F)F)cn1)C1CC1 1722650490 CIMXLYAJOPOTKI-UHFFFAOYSA-N 436.526 4.938 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1oc(CC)nc1C 1722668008 KPOBJFJWRRYLSE-UHFFFAOYSA-N 448.390 4.855 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCC2(F)F)C1 1722720989 QYPMRIQXXBBBRP-CTNGQTDRSA-N 446.542 4.506 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1722733760 LHHQOJFSYFKJRT-LJQANCHMSA-N 428.993 4.593 30 10 IJEE CCC1(CC)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)C1 1727338262 GIDDBRHAJVTKSJ-WOJBJXKFSA-N 425.552 4.883 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1740568575 ZMGPTXMNQQBRJU-AZUAARDMSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CC=CCC1 1740597786 YRXNTKXAGVZGDH-UXHICEINSA-N 427.593 4.556 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)N(CC)CC 1740665833 RTTLKVMJYWZVNR-OAQYLSRUSA-N 436.991 4.536 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC(F)(F)CO1 1740727945 GJWVNEQQFHQYDW-IFXJQAMLSA-N 441.309 4.668 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740734641 LHWRASAADRBJNI-UXGLMHHASA-N 436.600 4.670 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1Cc2ccccc2O[C@H](C)C1 1740747357 GJFZGHIOMYJLJF-MRXNPFEDSA-N 431.378 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1740751938 QBQRPQWDEUWOST-VGOFRKELSA-N 446.542 4.709 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC(C)(C)C1 1740753512 KWVDQSWFPLXPON-CRAIPNDOSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CCC)C1 1740758728 BHJZOODIORRYEK-RRPUWOKSSA-N 445.007 4.509 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](c2ccco2)C1 1740792415 HZRYMUQBFUPHHD-IBGZPJMESA-N 426.948 4.702 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)NC2CCCCC2)CC1 1740835488 UMNMPMMWUOZKHV-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740844375 HWJKJSYDKFRXHO-MAUKXSAKSA-N 438.494 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCSC2)C1 1740846922 QQQDSTYWAAIMDU-DEOSSOPVSA-N 442.629 4.898 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@H](COC)C1 1740869587 RYTBDJOEJVDMBH-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CC1CC(F)(F)C1 1740914604 VTUIBSCGAAMPOX-FQEVSTJZSA-N 432.515 4.766 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCCc1nc2ccccc2[nH]1 1740934500 GUXDYPTVUJTDCX-UHFFFAOYSA-N 432.572 4.913 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C/C=C\CC 1740938734 LFCLDXYAEBQSHQ-SREVYHEPSA-N 439.785 4.966 30 10 IJEE CCOC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1746600374 CFQCLBIWFZEJKM-OAQYLSRUSA-N 446.393 4.653 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(N(C)C)CCCC1 1748646508 AFZZVCCVTHWBLL-HXUWFJFHSA-N 444.627 4.685 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(SC)CCOCC1 1748650800 DZGRCSRJZYHPJT-DLBZAZTESA-N 444.670 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](OCC)C1CCCC1 1748673354 FYQAPDCOCHOPKC-XMSQKQJNSA-N 429.008 4.966 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1748936415 YLBWXMMALNKMJD-DHIUTWEWSA-N 435.660 4.669 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)SC 1748951669 YDLGUETVXVQVAF-CQSZACIVSA-N 435.018 4.651 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C)s1 1749132778 CWIBPJLFPBAZTQ-WIYYLYMNSA-N 428.627 4.918 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)CC 1749134955 AKSQHTHFFMNMIZ-QRWLVFNGSA-N 439.387 4.991 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 1749296777 UJLFMNCDIVRZIX-UHFFFAOYSA-N 443.473 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749373163 GANRMJMENINMJR-LJQANCHMSA-N 442.608 4.697 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCSC1(C)C 1749507098 RUSRRBRMUUQJNM-SJORKVTESA-N 435.638 4.504 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCOC[C@@H]1C 1749564240 RWVQGZVCHYJRFH-HKUYNNGSSA-N 445.405 4.867 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1oc2ccc(F)cc2c1C 1749601030 VGWRNQWEJAOCKQ-UHFFFAOYSA-N 440.544 4.811 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(Oc3ccccc3)nc2)C1 1749696160 AJYUKHQLNMYRNG-KNQAVFIVSA-N 433.556 4.809 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(N2CCCCC2)CC1 1760141827 JAYYYODKNPFSBD-UHFFFAOYSA-N 449.643 4.732 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOCC(F)F 1760225998 GLDRHNKNRQGMFQ-UHFFFAOYSA-N 438.931 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCCC1 1760296656 VZNRWIJDCNZIIC-RCZVLFRGSA-N 440.035 4.635 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@@H](C)[C@@H]1C 1760303117 BYIFOLNXWTUPCV-KBPBESRZSA-N 433.375 4.930 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OCC)cc1 1760322802 XTWZZJZKPQEGEQ-REWPJTCUSA-N 426.605 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@H](C)C1 1760326828 YHMOTDIFUVWHML-YYDVJCTNSA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1760342320 GSIONTJLQNRALJ-IEBWSBKVSA-N 429.996 4.696 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC2CC(OCC)C2)CC1 1760382198 LJGVYJCTYACCEQ-XEVCZEQESA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C)CCOCC2)CC1 1760396704 IFSAMSGNGLUESH-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1760406056 QGYZEMCLFGZZJL-PZJWPPBQSA-N 426.630 4.954 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760408412 BRWCLFWTHLFLJI-UHFFFAOYSA-N 449.643 4.951 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1cccs1 1760478007 RIUFQKDWVTYNDM-XMMPIXPASA-N 438.597 4.716 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCSCC1)C(C)C 1760488335 RZMJAKNHUSLXEX-QFIPXVFZSA-N 425.646 4.505 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C)C(C)(C)C2)cc1 1760531409 OLZUJQCZCGNLFR-IBGZPJMESA-N 448.615 4.625 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H](O)C1 1761077706 GOOJXCMLOBCULX-IRLDBZIGSA-N 444.023 4.840 30 10 IJEE C[C@@H](NC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1761461439 HPFWZMUHWMBILL-CLOONOSVSA-N 438.595 4.582 30 10 IJEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)C1 1762822744 HPVXFNXMORZSFI-XBJMDHIQSA-N 434.632 4.952 30 10 IJEE COc1ccccc1[C@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)OC(C)C 1768855736 CKIURPVFPDVPIU-OFVILXPXSA-N 439.604 4.881 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCS2)CC1 1771538070 CZERTTFNVHQMED-HXUWFJFHSA-N 446.020 4.926 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2cc(C(C)(C)C)nc3c(Cl)cccc23)c1C#N 1859647890 OSBIOIUNIZXLSQ-UHFFFAOYSA-N 425.872 4.998 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 1860862893 PGQVAHCNGNPTNZ-HSZRJFAPSA-N 438.531 4.661 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(Cl)c1 1861041899 YNEXGDFTGRPQOQ-QFIPXVFZSA-N 430.976 4.863 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1c(F)cccc1Cl 1862461477 GESJJPQVSYWNSF-QGZVFWFLSA-N 425.765 4.661 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862535960 NSAZHIRFTFHXEE-UPCLLVRISA-N 443.499 5.000 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1c(F)cccc1Cl 1862549639 UFXARTOUAJJBOL-OAQYLSRUSA-N 443.902 4.583 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862560763 ILTXCIOZNCHBKX-QHCPKHFHSA-N 441.531 4.740 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862580006 XVLREAVQESBUMC-IBGZPJMESA-N 448.302 4.775 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862581723 ODXISWGLEAAQGF-HXPMCKFVSA-N 434.319 4.515 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1862622719 NPMRCCSBVHRBMZ-QFIPXVFZSA-N 435.520 4.766 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cccc(F)c1 1862663853 UTFPNWAZPRJYIL-HSZRJFAPSA-N 438.543 4.869 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCO)c1 1862669464 WXJAXKZNFPGYEX-HSZRJFAPSA-N 437.536 4.560 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OCCCC)cc1 1862759912 ATAIGDSMTUOLIL-OAQYLSRUSA-N 436.464 4.538 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCCC)NC(=O)CCc1nc(-c2ccc(F)cc2)cs1 1868916476 LFDDSCWVQMMCDL-FQEVSTJZSA-N 443.588 4.757 30 10 IJEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)nnn1Cc1cccc2ccccc12 1870106074 VOAPPYLHPSRCOT-UHFFFAOYSA-N 439.519 4.766 30 10 IJEE C=CCn1cc(OCc2ccccc2Cl)c(=O)cc1CNc1cc(OC)cc(OC)c1 1871241990 KCJLCDGESSNFGL-UHFFFAOYSA-N 440.927 4.896 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2C1=O 1871375146 VFUREEHNGAVNTC-UUYOSTAYSA-N 431.400 4.747 30 10 IJEE CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871407504 OPQWTGJTLWSJSJ-XMSCMFJESA-N 444.487 4.811 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)c1 1871424457 KJWKYQIIGAZRHN-BEXDPUPVSA-N 443.499 4.876 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cccs1 1871795298 VJUOVKCQEHLVMI-GOSISDBHSA-N 441.018 4.940 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 1872362636 WRXWYXALGWWJLS-LJQANCHMSA-N 440.487 4.690 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 1872442922 PTNAVHSVPKBYGS-JOCHJYFZSA-N 446.638 4.747 30 10 IJEE CC(=O)Oc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1872765660 ULPDILHIDOGFLU-QGZVFWFLSA-N 441.306 4.988 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCCc3ccccc3)ncnc21 1873607193 LZMYDLWMQGXUCI-UHFFFAOYSA-N 429.499 4.972 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=O)oc2c1 1873934458 XDOHISPABLEGMG-UHFFFAOYSA-N 436.464 4.844 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCO)cc1 1874372585 HVUWGPABRRZPJY-HAVVHWLPSA-N 444.626 4.660 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccc(O)cc2O)cc1 1874373738 ZCQXJZAIGYYESR-VULFUBBASA-N 448.523 4.902 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2)o1 1874417638 LJGBOCFCQLVUPF-PCLIKHOPSA-N 446.532 4.813 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccc(O)cc1 1874476265 IBIDNBKGJZWVHA-BUVRLJJBSA-N 437.569 4.502 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(OC)cc1 1874478072 RUENBKQJJJAAQA-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(C(F)(F)F)cc1 1874487049 XADULZDJGYWTSP-FOKLQQMPSA-N 428.480 4.522 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(F)cc1 1874504958 JSUCARJGARCLKU-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE CCCNC(=O)COc1c(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc(Cl)cc1OC 1874586033 SDZSYIHIXAZTQP-BQYQJAHWSA-N 445.943 4.775 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875112822 KQOLDJASBWJCBO-IZZDOVSWSA-N 437.404 4.710 30 10 IJEE CC(C)(C)CC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 1875146072 CPTZWDYECVZPHP-QPJJXVBHSA-N 425.437 4.604 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]1(C#N)Cc1ccc(Cl)cc1I 1901966366 JIJOOXYHAOSHBM-QGZVFWFLSA-N 446.716 4.780 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 1950025509 GWCBHVLKBVGOKT-FMKFIRIRSA-N 431.508 4.859 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3c(Cl)cccc3Br)C2)OC1(C)C 1965482317 SQAHGABCAASODB-LBPRGKRZSA-N 428.563 4.801 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNCc1cc(Br)ccc1Br 1991582555 OGGXEGWKZCNJTR-UHFFFAOYSA-N 448.199 4.772 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@]1(C#N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2016128495 RHTDASDDKLVSSU-CJHNKYPHSA-N 426.557 4.680 30 10 IJEE CC#CCCCC[C@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2019511696 XZPIZRYXEBBEAC-JYFHCDHNSA-N 427.633 4.718 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1C(F)(F)C12CC(NC(=O)OC(C)(C)C)C2 2026164120 PVJAWGLKYRYFAA-JVVKFSLBSA-N 436.543 4.676 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(Cc2ccccc2)CC1(C)C 2037432542 RARJBOFYQBVPKU-SANMLTNESA-N 442.648 4.760 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cc(Br)cs1 2066515764 FCZPRNLDLTYWPL-TZMCWYRMSA-N 431.396 4.890 30 10 IJEE CC(C)Cc1ccc(Cn2nc(C#N)c(I)c2C(F)(F)F)cc1 2079183027 IQFIUZYFOUZFDO-UHFFFAOYSA-N 433.215 4.625 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(CCC(F)(F)F)Cc1ccccc1 2095866613 NRXLATYBLWYKBC-UHFFFAOYSA-N 449.322 4.949 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1F 2102881856 GAWMYBAXOPIUKX-FUHWJXTLSA-N 427.358 4.854 30 10 IJEE CC1(CNC(=O)OC(C)(C)C)CCN(c2ccc(C#N)c(Br)c2F)CC1 2118194687 NSQOICAXPMSDCF-UHFFFAOYSA-N 426.330 4.591 30 10 IJEE CN(CCN(CC(F)(F)F)c1ccc(C#N)cc1Br)C(=O)OC(C)(C)C 2118200579 GQEBBGXETTZMLJ-UHFFFAOYSA-N 436.272 4.556 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(C[C@@H](O)c1ccc(Br)cc1)C2 2169734256 GBDBUAQWMQIHJR-OKZBNKHCSA-N 435.362 4.944 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180964398 XWSISDVPKNBDLT-BBRMVZONSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccc(Nc2ncc(Br)cc2C#N)cc1 2203173105 PVGHZDKUQCSARE-UHFFFAOYSA-N 431.334 4.917 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2211274354 NSTCFTNIBUFCFW-IQUTYRLHSA-N 435.487 4.714 30 10 IJEE C#CCN(C[C@H](NCCC)c1c(F)cc(F)cc1Br)C(=O)OC(C)(C)C 2225599849 JDMOOHGXOANCNK-INIZCTEOSA-N 431.321 4.638 30 10 IJEE C=C[C@]1(Oc2ncc(C(F)(F)F)cc2Br)CCN(C(=O)OC(C)(C)C)C1 2232224672 ZVBNAFNVCBQWAY-INIZCTEOSA-N 437.256 4.807 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2235729165 MPKSPTXLOBSEPK-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CC1(C)OB(c2cc(F)ccc2C(=O)N(Cc2ccccc2)Cc2ccccc2)OC1(C)C 2241481927 XFKBGOLXQXRYLR-UHFFFAOYSA-N 445.343 4.968 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCC(=O)O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2261828419 LDWRZDKLSBZFAM-NBGIEHNGSA-N 447.572 4.704 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267492494 STRSYOOUTVQYQK-UHFFFAOYSA-N 437.389 4.683 30 10 IJEE CC1(C)OB(c2cnc(Nc3c(Cl)cc(F)cc3Br)c(F)c2)OC1(C)C 2284373948 RJRFHNFNSBEAGT-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](N)C#Cc1cccc(Br)c1 2296285698 CXVIOCMBUBXDNH-AABGKKOBSA-N 435.406 4.657 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](O)(C#Cc2ccc(Br)cc2)C[C@H]1C1CCC1 2296286902 PXUJEKKBZRFXPM-SIKLNZKXSA-N 434.374 4.731 30 10 IJEE CC(C)c1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCCn2ccnc2)cc1 2297747585 IVRSOXGCZOXFSY-NRFANRHFSA-N 435.549 4.580 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2301450161 XTQIYVPTEFEKJQ-OYRHEFFESA-N 449.360 4.596 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC 2305399611 HIXVSJCFKGTVSU-SQJMNOBHSA-N 430.589 4.945 30 10 IJEE CC(C)(C)OC(=O)NC1(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2317348110 IPLCECZFEDOQNC-SDNWHVSQSA-N 429.370 4.586 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)C1(NC(=O)OC(C)(C)C)CCOCC1 2318697420 AXTDUADBLQVJFG-LJQANCHMSA-N 445.560 4.703 30 10 IJEE Fc1ccc(COc2cccc(C=Nn3c(S)nnc3CCOc3ccccc3)c2)cc1 2322024036 JCHQPHDGXDSQNW-UHFFFAOYSA-N 448.523 4.789 30 10 IJEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCCCN(C)C)C3)C1=O 2322384077 YSUKOGXVDOFHML-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(F)c(F)c1 2322779808 LCKZMCFKFLMRTO-UHFFFAOYSA-N 438.268 4.528 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O 2323118243 OEBQBXRPNYSAMY-UHFFFAOYSA-N 436.847 4.949 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)o1 2323511010 JHSTVOAZEQXNPC-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE Cc1c(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1cccnc1)C2=O 2323597999 VSPVJMXYTHWHSF-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccco1)C2=O 2323701511 SZUPWXGURYEAKI-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)cc(C)c2C1=O 2325182800 QRZKPEZRXPKWMV-UHFFFAOYSA-N 449.484 4.727 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2325566704 TTYRZFWNPRXOED-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE COc1ccccc1CC(=O)Oc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC 2325669697 ORCCDNAZKLSTPZ-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2325724814 FWHODGDHQMHQCY-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccnc1 2325951477 HMJCBGDXWUCKEV-UHFFFAOYSA-N 428.359 4.577 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc(O)c(OC)c1 2328556574 DVWGVGSXJCYTDK-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE CCOc1c(C=Nn2c(COc3ccc(C)c(C)c3)nnc2SCC)cccc1OC 2328786645 GKTVXFLWKQUNGU-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE OCCCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Cl)cc1Cl 2329777571 XTVQUJKFKYRLLM-UHFFFAOYSA-N 439.343 4.672 30 10 IJEE Oc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1O 2329840014 ZNWKYQQQBXGGSG-UHFFFAOYSA-N 434.496 4.594 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1F 2330807529 WUQJPWONOHOCDB-UHFFFAOYSA-N 443.523 4.758 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cccc(C)c1 2330895938 IITAFXKURAZEBY-NRFANRHFSA-N 449.580 4.613 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2331018400 YPWKMVTURGGFIX-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE COCCc1nnc(SCc2ccccc2C)n1N=Cc1ccc(C(F)(F)F)cc1 2331242751 HJUWOMKZESMKER-UHFFFAOYSA-N 434.487 4.969 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331286548 HWWCAAVNNLDYHP-UHFFFAOYSA-N 434.487 4.703 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccc(F)cc1 2331318760 ZRULZXBEMIRELR-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccccc1F 2331666376 HGEXHOLLDKSEIV-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339575061 QZVHJKVXVZYQQC-XMMPIXPASA-N 444.381 4.752 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585177 LJSCHWHSJHYGRU-HKUYNNGSSA-N 443.397 4.784 30 10 IJEE C[C@@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339594665 XUVAYWMKFMWHRU-CYYVBXFOSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2339602711 OMWITFVQINNKTJ-IVAVGGPPSA-N 442.365 4.505 30 10 IJEE Cc1sc(Br)c(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1C 2342482738 XZDSBLMZOIOTSO-SFHVURJKSA-N 428.201 4.826 30 10 IJEE CC[C@](C)(CNCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1)N(C)Cc1ccccc1 2343657891 PQKBBJGJRNUCMZ-HHHXNRCGSA-N 436.449 4.685 30 10 IJEE N#Cc1cc(Br)ccc1N[C@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2374896913 BSKTYVGTLICQJU-TZIWHRDSSA-N 429.314 4.715 30 10 IJEE COc1cc(C#N)cc(OCc2ccc(I)c(Br)c2)c1 2377436291 CWGYHZGXAPWSOG-UHFFFAOYSA-N 444.066 4.513 30 10 IJEE O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccc(Cl)c(Cl)c3)CC2=O)N1 21226711 WRPLWLGNBCCCEN-ZFWWWQNUSA-N 431.275 4.906 30 10 IJEE CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 27532991 XNRVGBMVNBQXKB-QFIPXVFZSA-N 446.507 4.541 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 33379833 DOKYHVOFJGWZCH-HSZRJFAPSA-N 442.471 4.870 30 10 IJEE COc1ccc(/C=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)c(OC)c1 39866498 ZNPNHHNSYIFEEL-CXSMVCKMSA-N 444.582 4.800 30 10 IJEE CC[C@@H](C)n1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O 39870799 NJQBNWHOHWQPQM-AQBNCOFJSA-N 434.250 4.791 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc3ccccc3n2Cc2ccccc2C#N)C1 95084757 HLWQQCPXIOEVSU-FQEVSTJZSA-N 431.540 4.768 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2OC)cc1 165883962 ZJAXLKQKVCRIPR-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1cccnc1)c1ccc(F)cc1 170004851 DBNDLWMGVXSGOZ-LJQANCHMSA-N 426.806 4.796 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 170065718 XNIPICYVAWYFSQ-HXUWFJFHSA-N 431.398 4.624 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1C1CCCCC1 170123947 XAPHBWFBEXMFCF-IBGZPJMESA-N 426.538 4.680 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2OC)ccc1Cl 170125884 CQSSSMQPJVHPNF-NRFANRHFSA-N 441.911 4.878 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(C)c2)ccc1Cl 170139675 LJNJBIXSTUNEBU-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)cc1C 170162213 VGZHJRNEYLKJDZ-UWJYYQICSA-N 441.549 4.603 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccnc2)ccc1OC(C)C 170186415 FWKXYXGYCJFEAY-HSZRJFAPSA-N 444.487 4.666 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccnc2)cc1 170186719 KMNALGPZJIRNGI-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccnc2)ccc1Cl 170196977 RIRKMTVNKPMALV-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)c1 170259450 LRIVOIQLZVEPTM-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1ccco1 170274209 WQIZTHBPHUUPIL-HSZRJFAPSA-N 429.472 4.692 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)c1 170296464 JWBXBEQLWYUTEE-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(C)o1 170299397 YSYILLFYWXTOOA-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1sccc1C 170314636 RYVCNYVUDFDFIV-HXUWFJFHSA-N 435.501 4.862 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)c1 170403105 IWCXWKMDVTWJIE-JOCHJYFZSA-N 428.444 4.861 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1 170423217 STQRHYQOYGITDT-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2ccc(Br)cc2)nc2ccccc12 170509528 RPRBFPWSIQFWKH-UHFFFAOYSA-N 446.308 4.544 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1C12CC3CC(CC(C3)C1)C2 253572710 QMXTYRHIFDVELM-UHFFFAOYSA-N 433.581 4.534 30 10 IJEE COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CON=Cc2ccc(F)cc2)cc1 255767444 FDLQAZBDOOGPAL-DEOSSOPVSA-N 431.467 4.563 30 10 IJEE CCN(CC)c1ccc(/C=C2\CCC(C=NN=Cc3cccnc3)=C2N2CCOCC2)cc1 263631242 IFUPFELSZJZFLF-BWWZXFHRSA-N 443.595 4.796 30 10 IJEE Cc1cc(Nc2cc(I)ccc2Br)c(C#N)c(C)n1 311730700 OIQDPCUGSJOKCD-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 480105841 MDVXNRHZRRLMLF-OAHLLOKOSA-N 431.462 4.813 30 10 IJEE COc1cccc([C@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606262 KCXHBVOHGJLHAQ-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 558983835 CJPLUQSVYFSUSS-GHTZIAJQSA-N 446.530 4.934 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC[C@@H](CCOC)C1 564613566 QWPTXPKTCXOHDG-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2cccc(O)c2)C1 581256389 UBYIYSCYVWPCDF-CVDCTZTESA-N 434.540 4.504 30 10 IJEE COc1ccc(C[C@@H](C)NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 609306074 PCVGTDGTMZBUQP-GOSISDBHSA-N 430.504 4.515 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C[C@H]4CCOC4)C3)n2Cc2ccccc2)c1 619817969 FLEGTHUWBPWEBU-DHIUTWEWSA-N 427.552 4.508 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@]2(CCCOC2)C1 685551480 GIHXRFFYYATBNA-AREMUKBSSA-N 448.542 4.856 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 761752727 WOLJETJWGHSIOK-MOSHPQCFSA-N 435.877 4.748 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cc(-c4ccccc4)ns3)c2)s1 784713713 HTKXCUJZUWPVQS-UHFFFAOYSA-N 444.541 4.665 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@@H]2C[C@H]2C2CC2)c1 797426840 OXKWQXSKUAANSN-VLCRHTCISA-N 447.535 4.566 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc(F)cc1 812955634 XVFRLFZNBCVZSR-GOSISDBHSA-N 441.260 4.667 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)c2)s1 1116702196 ASRJPLSEDJSUSM-OXQOHEQNSA-N 437.487 4.570 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)c1ccccc1 1125305833 FODIGJPUALXIFI-BQSZEUOTSA-N 439.581 4.578 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(Br)c(OCC)c(OC)c1)c1ccccc1 1134655109 WYBLMNDSMTZXCR-AREMUKBSSA-N 438.343 4.710 30 10 IJEE N#CCc1cccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)c1 1140935127 CIXFFGHZXJUGEY-UHFFFAOYSA-N 427.529 4.686 30 10 IJEE CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 1143456618 ACUQYBQEGLKMLR-JOCHJYFZSA-N 427.633 4.612 30 10 IJEE CC(C)(C#N)c1ccccc1CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 1165411802 GQMGHFGOWBPLPP-UHFFFAOYSA-N 427.533 4.881 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](Oc3cccc(F)c3)C2)n(C2CCCCC2)c1C 1175426179 GMXZBUDHDMICFA-QFIPXVFZSA-N 438.547 4.713 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cccc(-n2nnnc2C)c1)c1ccc(C(F)(F)F)cc1 1197954553 OLLZHBJIGGFLKL-LJQANCHMSA-N 430.434 4.819 30 10 IJEE CCC(C)(C)OCc1cccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)c1C 1214938330 CYDVFYDYHLOXJT-UHFFFAOYSA-N 426.586 4.988 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(I)ccc1Cl)c1ccc(F)cc1 1215820146 VAARMOMULGPUAW-CQSZACIVSA-N 428.632 4.580 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1220833898 ZISXCTFXTRENSE-UHFFFAOYSA-N 434.543 4.943 30 10 IJEE C#CCOc1ccccc1CNC(=O)NC(C)(C)Cc1ccc(Br)c(C)c1 1221992800 HOQRUKGXIWGBDZ-UHFFFAOYSA-N 429.358 4.590 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1nc(-c2cccs2)no1 1276765781 BXBAHVYOSRGHEI-ZDUSSCGKSA-N 434.443 4.690 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C(C)C)C(C)C 1286276562 RZZPMSHLSXDELF-OAQYLSRUSA-N 446.643 4.929 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1CC(OCC)C1 1286302477 UCIYAMMCVADALL-RZFJCUDFSA-N 438.616 4.818 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286314721 GYDOHCYUVMECOK-UHFFFAOYSA-N 445.567 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OC 1286421409 XYDNVLJVMAHHGS-IBGZPJMESA-N 442.991 4.576 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H](c1ccsc1)N(C)C 1286454077 FQKRKHKFNMDMJR-OAQYLSRUSA-N 439.604 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1Cc1cccc(C(F)(F)F)n1 1286582837 DIRCWADNKLDPFH-UHFFFAOYSA-N 429.490 4.928 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1286600758 HDLLMMVUPHYKMG-CQSZACIVSA-N 441.320 4.677 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1286602394 YIHCSUHXRGPOPG-NLFFAJNJSA-N 437.588 4.509 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1286703950 JMFXXLCZFPFDRR-LJQANCHMSA-N 428.487 4.960 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC(F)(F)CO1)C1CC1 1286732135 KQQDVHZUFWMMHV-IEBWSBKVSA-N 432.515 4.614 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1F 1286747342 IXJWMNDUYCBIAD-UHFFFAOYSA-N 435.528 4.790 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@@H]1C 1286748724 ZGGKCPKPUHXBGO-UGSOOPFHSA-N 430.325 4.948 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(O)cc1 1286765762 JFRZODXUNYSWLJ-KRWDZBQOSA-N 438.597 4.524 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cscc1C 1286768136 RGRKRBGQNPETHG-UHFFFAOYSA-N 435.553 4.657 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2CCCCO2)C1 1286803869 HUOFTTMJWKGDKE-OALUTQOASA-N 430.980 4.729 30 10 IJEE CC1(C)CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C(C)(C)CN1Cc1ccccc1 1287270501 DHHWZLVPBSQXNU-UHFFFAOYSA-N 428.536 4.728 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 1290478997 LNRQRORMUWMNMY-UHFFFAOYSA-N 438.524 4.763 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3C(C)C)ccc2c1=O 1296138031 HHBFYYFBFJRENI-GCJKJVERSA-N 433.577 4.561 30 10 IJEE CCCc1c(NC(=O)c2occc2NC(=O)OC(C)(C)C)cnn1-c1cccc(C#N)c1 1296630883 AJMVHGMATWJVOK-UHFFFAOYSA-N 435.484 4.889 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CCCC 1300441226 HLQCGRFSEJHFED-NRFANRHFSA-N 439.673 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1300813464 KURDOHHQFPCMQK-WFIHMLKPSA-N 434.628 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300918034 RVSVCNHQNBPBAY-SFHVURJKSA-N 445.583 4.666 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(F)(F)F)C1 1300980773 NXASXBAQUCBTRY-SFHVURJKSA-N 445.489 4.865 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1301155319 LZRHHSGLHIJMPX-UHFFFAOYSA-N 449.643 4.647 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNC(=O)c1occc1C 1301280390 JNWTXEXAUKJGFH-UHFFFAOYSA-N 448.354 4.596 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCN(CC)C1 1301374944 HPBALQGDQDYBLN-MOPGFXCFSA-N 425.646 4.652 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC[C@H](C)C1 1301597264 MSYMQUUKGSWUAG-KRWDZBQOSA-N 446.617 4.517 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1301956249 HGQIHYCYGAWLHH-CEXWTWQISA-N 429.012 4.562 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1306726681 BELDORRVLYNBQA-DHLKQENFSA-N 426.653 4.795 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)C2(CO)CCCCC2)c1C 1307840339 BANXDVWCTBARLT-AREMUKBSSA-N 433.596 4.824 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)nc1 1310210570 CZFRHFUBVIUJCF-UHFFFAOYSA-N 446.854 4.771 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)c2ncc(C)s2)c1 1315559661 FAWREWPLVKDSBV-HJPURHCSSA-N 436.585 4.652 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)C1 1323754948 GTJJLPRXPDHXKD-NRFANRHFSA-N 439.943 4.628 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C)c3cccnc23)c(C(=O)OCC)c1C 1349733296 DSWFXRXMPLZSKQ-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cn(Cc4cccc(F)c4)nn3)c2C#N)C1 1351764838 AFPYVLHMVGNILP-HNNXBMFYSA-N 437.544 4.802 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN1CCCC1 1358872582 WGRIMIQEHSRIKL-MOPGFXCFSA-N 444.023 4.651 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1358922157 VRAFKKDNLIFFNE-FQEVSTJZSA-N 440.897 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](CCC)OC 1359066426 AKUKZMSLFULRHB-RGZWJVDOSA-N 426.630 4.939 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCN(C2CC2)C1 1359116720 WEJLARVUZXYHER-HXUWFJFHSA-N 425.646 4.766 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(F)cc2)CC1 1359169688 QWRFDBSQQCWQJU-FQEVSTJZSA-N 441.551 4.694 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1ccncc1Cl 1359259782 HYHALDYHKMPPPR-UHFFFAOYSA-N 436.922 4.712 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCCC1(C)C 1359270085 AYYTWPXPZGTXMM-RUZDIDTESA-N 433.556 4.720 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@@H]1C 1359275817 HIBAJGDSVVRXAO-REWPJTCUSA-N 436.625 4.838 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1cscc1C 1359279164 VWLHCUBYDMVABR-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 1360160354 BGJQOBKXUYJSNQ-XMMPIXPASA-N 445.560 4.930 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 1435133021 CHSJHEGINAEENA-UHFFFAOYSA-N 427.010 4.625 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccccc1 1435195327 LTVMSDZMGSLZRC-RPBOFIJWSA-N 433.596 4.931 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n(-c2ccc(C#N)cc2)n1 1436220627 AGCBPMIIYCUFNU-JOCHJYFZSA-N 444.535 4.852 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(I)c(O)c1 1440410185 YKFFLIDWVQNVJU-UHFFFAOYSA-N 433.698 4.540 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC(F)F 1443551863 UVXAGZOYTXLJAF-NRFANRHFSA-N 428.479 4.583 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(Cn2cc(Br)cn2)s1 1447754938 PEOFXNNDHBUODG-UHFFFAOYSA-N 446.370 4.906 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 1451174650 GTFHAXGNGIUXHY-INIZCTEOSA-N 431.113 4.993 30 10 IJEE O=S(=O)(c1cc(F)ccc1N1CC(c2cccc(C(F)(F)F)c2)C1)C(F)(F)F 1458367530 BSVVGIXQDWVPQD-UHFFFAOYSA-N 427.341 4.742 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CC(=O)N(c2ccccc2F)C1 1458872939 CWQVUKIMZFQUGJ-GTNSWQLSSA-N 448.338 4.617 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(NC(=O)CN(CC)CC)c1 1460649877 DOPYUBOZMHMBGR-UHFFFAOYSA-N 449.473 4.803 30 10 IJEE COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1465431424 HXERSBZJVRNSLE-WAIKUNEKSA-N 432.480 4.652 30 10 IJEE C#CCC1(NC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CCCCC1 1466425226 VAYCPVDTYFIGRV-UHFFFAOYSA-N 432.362 4.533 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 1466436187 FBYRQNFCVJBWMY-UHFFFAOYSA-N 445.342 4.854 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 1470656371 AYTKEZJGAQJSMF-URVUXULASA-N 443.563 4.569 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472907265 ADUZUDPBILUSRK-KUHUBIRLSA-N 440.590 4.775 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1)c1ccc(Br)cc1 1476036137 QYYLJRXXEOAPNW-MOPGFXCFSA-N 443.341 4.811 30 10 IJEE COc1ccc([C@@H](Cc2ccccc2C)NC(=O)Nc2cc(C)c(C#N)cn2)cc1OC 1476943561 DQZANNLCSQUMGC-OAQYLSRUSA-N 430.508 4.693 30 10 IJEE COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1478475446 BDWQVVFFUJOSPX-UKHOHEFJSA-N 448.567 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](OC)C(C)(C)C 1507519983 WBQOBNUABATLGO-MBSDFSHPSA-N 433.600 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCc1cc(Br)ccc1F 1507540485 HBAYJTSWQCISNC-AWEZNQCLSA-N 447.377 4.533 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1sc(C)nc1C 1507618695 CECSPAZBPGOLPJ-UHFFFAOYSA-N 432.018 4.609 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@@H](C)C1 1507714044 HHLHVKCOYDBSMQ-NHCUHLMSSA-N 438.616 4.677 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCC1 1507805821 LIOOCXKEYAUJPG-WMZHIEFXSA-N 445.007 4.833 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1507845175 XPWYNGDTCUIVDA-JTHBVZDNSA-N 440.588 4.505 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ncnn2C(C)(C)C)CC1 1507881710 QBMCKTGRXYXOHQ-HXUWFJFHSA-N 449.603 4.586 30 10 IJEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)C(C)C)CC1 1507881967 CHHRHPDIWYOSKY-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cc(C)nn1C 1508009781 AOGWLXOKIBRNTC-UHFFFAOYSA-N 441.583 4.621 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(OCC3CC3)CC2)cc1 1508100532 LLWPWPTZOVRWFI-UHFFFAOYSA-N 438.616 4.875 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](COCC)C1 1508152172 UGVIPCBSTAEEBC-MRXNPFEDSA-N 439.000 4.910 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)CCCN1C(=O)OC(C)(C)C 1520065596 WZAXHEHSDROKLM-QHCPKHFHSA-N 446.498 4.650 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)C(F)(F)F)cc1 1521337486 PMDKRZXKLZAEDT-NHCUHLMSSA-N 429.438 4.675 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(Br)c(C(F)(F)F)cc2F)cc1 1521967335 AILXUZWFKHULQH-UHFFFAOYSA-N 431.179 4.976 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 1523655173 BSVZNMUMQDEVGV-CQSZACIVSA-N 425.451 4.943 30 10 IJEE Cc1nc(SCC(=O)NC(C)(C)Cc2ccc(Br)cc2)c(C#N)c(C)c1C 1528010257 FIKYWICGQHCLOP-UHFFFAOYSA-N 446.414 4.871 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)CCCC1(C)C 1530837938 CYRFLJREPNVWQM-LPHOPBHVSA-N 433.390 4.704 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N2CCN(c3cc(F)ccc3F)CC2)cc1 1532482196 FRFADAAQIPNEPO-UHFFFAOYSA-N 435.499 4.950 30 10 IJEE C#C[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)c1ccc(Br)cc1 1535483321 INLCYJAJSCCMQY-INIZCTEOSA-N 446.142 4.726 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1sc(C)nc1C 1538972765 LKQYIHDNYCQCGQ-HOCLYGCPSA-N 444.004 4.845 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1539052843 VFXMTIQSFNJXDQ-NRFANRHFSA-N 444.627 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1sccc1C 1539548780 VTGTZZFNUANDEQ-XMMPIXPASA-N 436.581 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1539615718 KUXOLOKUOPJXQN-FIKGOQFSSA-N 445.995 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccccn1 1539638267 YPJMSDNUYHTSDG-CVDCTZTESA-N 437.975 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N(C)CC(C)(C)C 1539642110 OZHAGROUZULSKI-WMZHIEFXSA-N 442.604 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1nc2cc(Cl)ccc2s1 1539674454 WKMZGLWGXGLULD-UHFFFAOYSA-N 438.988 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1539836312 PVOVBGYEQKBTIY-PMERELPUSA-N 428.646 4.946 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 1539948103 OGKCICKDHQTMQB-FYYLOGMGSA-N 437.632 4.530 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC(C)CC1 1540049257 JJPMUTCZAPBCRQ-UHFFFAOYSA-N 436.629 4.731 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C)c(C)s1 1540154670 AMPDZIHOCHZXAV-INIZCTEOSA-N 427.549 4.857 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1nc(C)cs1 1540179970 DWBMMYNTBHDHOL-UHFFFAOYSA-N 435.622 4.979 30 10 IJEE CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1541101782 HXVPUFLJWKEDNC-QHCPKHFHSA-N 427.504 4.994 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 1543529874 BBXRLOXLQOGECI-UHFFFAOYSA-N 438.524 4.763 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)C(=O)OCC 1544338821 LBFUARLCOZUFBR-LJQANCHMSA-N 430.932 4.976 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1OC 1544448482 NPAXNAPNOCFWOI-OOXMNIKJSA-N 433.508 4.763 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c(OC)c1 1545221337 OYMNZAIAOOBMHD-LJQANCHMSA-N 430.342 4.929 30 10 IJEE CO[C@@](C)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1554578649 ATAKIOCKVFUKFQ-VXKWHMMOSA-N 431.943 4.683 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOCCC1CC1 1556764482 OCLSTEMAIVXAIS-XMMPIXPASA-N 434.536 4.708 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 1562351328 TYSMOGRPQIUJMK-MOPGFXCFSA-N 433.430 4.813 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 1562929055 GCAVAIVGLQEVGM-MRXNPFEDSA-N 433.350 4.990 30 10 IJEE Cn1nc(C2CCOCC2)cc1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1563148423 HXPNARKIGZRYAQ-UHFFFAOYSA-N 447.514 4.559 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)NCC3(c4ccc(Cl)cc4Cl)CCC3)C2)cc1 1564370084 CCMQLJTYKSVDQA-UHFFFAOYSA-N 430.335 4.760 30 10 IJEE C#C[C@H](NC(=O)NCCc1cc(Cl)ccc1OCC)c1ccc(Br)cc1 1564380835 KOIXUFHRWSMDCC-SFHVURJKSA-N 435.749 4.717 30 10 IJEE C#C[C@@H](CC)NC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1568624960 WMAHSWCLZPPFLR-PMACEKPBSA-N 430.548 4.566 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2ccc(C(F)(F)F)cc2nc1O 1568915284 WYJAOZNOTWHYQS-UHFFFAOYSA-N 432.446 4.955 30 10 IJEE C=CCC[C@H](NC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12)C(=O)OCC 1569184042 IJORLHNGAKLQLE-SFHVURJKSA-N 445.357 4.811 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1583549920 RLQPRDFDJNIOHV-FPOVZHCZSA-N 440.927 4.501 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1587718964 ROCSEKVWXFEPCA-NRFANRHFSA-N 449.643 4.739 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CC[C@](C)(CC)O1 1588186424 XXAMBMGYHMHVII-ZBLYBZFDSA-N 441.579 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1589544568 IUELQKIZZUARLI-APWZRJJASA-N 442.913 4.892 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc2c(n1)CCCC2 1589687760 NOXWREQPKJGYDW-UHFFFAOYSA-N 447.583 4.590 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1593677757 KUCIGEYIDAZTGC-LJQANCHMSA-N 432.037 4.865 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCSC2)C1 1594461524 TWGFIXSJLGPCSH-JOCHJYFZSA-N 427.574 4.789 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@](C)(OC)C1 1594793689 PBODVRSLDKQSBF-VWLOTQADSA-N 426.605 4.841 30 10 IJEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1594819280 AIEQDPIJOPTFNQ-OAQYLSRUSA-N 441.576 4.707 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)CCCS1 1595132974 BCWQFGOIBJCFQT-WMZHIEFXSA-N 430.593 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1 1595161467 ARBIRKCHZNZXLO-VQTJNVASSA-N 437.613 4.723 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCCC[C@@H]1C 1595234747 YGYKSSMWUQOTHX-BHDDXSALSA-N 429.653 4.640 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCCC[C@H](SC)C2)cc1 1595613894 KHNNLKHDGHQPSH-QFIPXVFZSA-N 449.624 4.984 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1595854701 KFBYPMHSIDBPKG-INIZCTEOSA-N 439.963 4.784 30 10 IJEE N#Cc1cc(NC(=O)C(F)(F)c2ccc(Br)cc2)ccc1Br 1595885118 CFSRGLIXCHHKHK-UHFFFAOYSA-N 430.046 4.814 30 10 IJEE C=CCn1c(S[C@H](C(=O)OCC)C(C)C)nc2sc(-c3ccccc3)cc2c1=O 1613426077 IRAQWHIGVDMQEA-SFHVURJKSA-N 428.579 4.991 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 1621024096 JKRRYKYQSFIPBG-MAODMQOUSA-N 432.992 4.866 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Cl)c1 1621044155 CTZWSNDWBAROAK-QHCPKHFHSA-N 428.363 4.993 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCc3ccc(Br)cc32)n1 1623284859 AURDSESFBDZLSG-UHFFFAOYSA-N 442.704 4.754 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 1629368241 SGXKNBFEXUAIOE-GOSISDBHSA-N 441.400 4.929 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(CC3CC3)C2)c1 1630336619 YIDNIHOHNYGUAD-UHFFFAOYSA-N 444.984 4.593 30 10 IJEE C#CCN(C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1634940335 BINOHQDPGQMROB-HSZRJFAPSA-N 437.584 4.666 30 10 IJEE C=CCOc1ccc(C(=O)NCC2(c3ccc(Br)s3)CCC2)cc1OC 1636279760 JIPRZLJGXUITBV-UHFFFAOYSA-N 436.371 4.936 30 10 IJEE COc1cccc(-c2nc(C)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)[nH]2)c1 1638616051 BSLLNWRBZRNJPV-AWEZNQCLSA-N 442.441 4.967 30 10 IJEE COC(=O)c1cc(Br)c(CSc2nc3c(c(C)c2C#N)CCC3)cc1OC 1640762161 DNMHULXRBUAFAL-UHFFFAOYSA-N 447.354 4.600 30 10 IJEE C#CCN(Cc1noc(-c2ccccc2C)n1)[C@H]1CCOc2ccc(Br)cc21 1641795912 RPMOQVBNUWBMHX-IBGZPJMESA-N 438.325 4.767 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)CC1CC1 1642307527 JFGSIOWUVRJMGI-UHFFFAOYSA-N 429.383 4.884 30 10 IJEE C=CCn1c(S[C@H](C(=O)Nc2ccc3c(c2)CCC3)C(C)C)nc2ccccc2c1=O 1643438327 LKPJUJKOVIKFOV-QFIPXVFZSA-N 433.577 4.827 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(C(C)(C)C)nc2O)s1 1648740986 BFQAXVQFIZEMOP-UHFFFAOYSA-N 426.007 4.553 30 10 IJEE C#C[C@H](Nc1ncnc(CC(C)C)c1I)c1ccc(Cl)cc1 1651123530 KIQOPJLXCACZKH-AWEZNQCLSA-N 425.701 4.720 30 10 IJEE C#CCC1(NCc2ccc(OCCOc3cccc(Br)c3)c(OC)c2)CCC1 1651601698 YSBLKFZXXUGILQ-UHFFFAOYSA-N 444.369 4.951 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 1653289112 BFANFRBWMWWGDE-OAHLLOKOSA-N 427.358 4.833 30 10 IJEE C=CCn1c(SCN2CCCCC2=O)nc2scc(-c3ccc(C)cc3)c2c1=O 1655967203 BWGDAOGQPTZEOH-UHFFFAOYSA-N 425.579 4.682 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2ccccc2c1Br 1659842462 OXVLCVRMWMZINO-UHFFFAOYSA-N 441.350 4.851 30 10 IJEE Cc1c(S(=O)(=O)N(C)CCc2ccc(Br)cc2)sc2ccc(C#N)cc12 1661451819 HEVDLVBFQPXCIV-UHFFFAOYSA-N 449.395 4.707 30 10 IJEE C=C(C)C[C@@H](NCc1cn(-c2ccc(Br)cc2)nc1C(C)C)C(=O)OCC 1665546881 SWOZWTPVYAHYJL-LJQANCHMSA-N 434.378 4.746 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1666448897 JFVFNACPGXWWNG-RYLXDESZSA-N 433.618 4.656 30 10 IJEE C#CCOc1cccc(OS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)c1 1667119839 XGAGCWSPWFUYBX-UHFFFAOYSA-N 443.318 4.896 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c(C(=O)OC)c1C)c1ccc(Cl)cc1 1669674584 AVIUQUYTACVTNQ-OAHLLOKOSA-N 435.705 4.694 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)c1ccc(Br)cc1 1674025715 KUWMTTCQWHFOPA-RBUKOAKNSA-N 433.733 4.560 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1F 1674035445 AEYPGNPXABGGFF-CVDCTZTESA-N 449.954 4.586 30 10 IJEE C=CCC[C@@H](NC(=O)NCCOc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 1676782724 ITBPDWGDSNEDEX-GOSISDBHSA-N 436.430 4.820 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 1678403034 CUROOESJUYVEHU-GOSISDBHSA-N 426.479 4.779 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1678420728 KYGSKUFOPAQFIU-YOEHRIQHSA-N 440.357 4.681 30 10 IJEE C=CCSCCNC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1681506743 SXOKPLIIVQFDEF-HXUWFJFHSA-N 447.695 4.788 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 1681578076 IARCNVRRTULAHZ-GOTSBHOMSA-N 427.976 4.720 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1686542667 GNASPYUETGANIL-GOSISDBHSA-N 440.469 4.680 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1689920644 FSGZHYLYOVAEAN-XZOQPEGZSA-N 436.600 4.646 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC(C)(C)C1 1690058748 AIKLSFKPTMTHFI-LJQANCHMSA-N 444.023 4.653 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cl)=C(Cl)C1 1690441814 HLNWTAQIEGCRIU-YOEHRIQHSA-N 429.392 4.504 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@](C)(CC)C1 1690451280 BYPYANPYXGBPAK-XMMPIXPASA-N 425.577 4.509 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)c1cccs1)C1CC1 1690539877 PLSGMECFHAZJJH-NRFANRHFSA-N 432.952 4.862 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1690605722 VDDQCSLBXUFIPS-JYFHCDHNSA-N 445.567 4.993 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2)CC1 1692659530 GLJWHPXHDQUIAV-HNNXBMFYSA-N 439.361 4.506 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705604929 WUPVLOOQFSYMQO-RTWAWAEBSA-N 439.604 4.583 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(O)CCCCCC1 1705607270 XMOHLMNFSASRPX-UHFFFAOYSA-N 426.630 4.820 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)[C@H](C)CC 1705669317 IZOIACODWWVBCS-IHMJZKOGSA-N 431.584 4.591 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N(C)Cc1cccc(Br)c1 1705689832 AIVLGEBWPFZVNS-UHFFFAOYSA-N 440.183 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCc2sccc2C1 1705718678 VNYOQSUGKUASQM-UHFFFAOYSA-N 439.604 4.530 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(F)cn2)CC1 1705785689 SCHVUOGBQCAOPG-UHFFFAOYSA-N 439.560 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705794266 AYIULBCPSOTWNX-SVGJNIJCSA-N 438.616 4.673 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1csc(CC)n1 1705812541 CWCDKTDIKMGWDJ-UHFFFAOYSA-N 449.422 4.668 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)Cc1csc(Br)c1 1705820176 DLAMULKHZQDCLL-UHFFFAOYSA-N 432.391 4.691 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1cccs1 1705835076 ZGFOJSRYPYJVHR-YCRPNKLZSA-N 432.977 4.663 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)[C@H](C)CC 1705835223 DNSOIGJTYQRFPZ-WAIKUNEKSA-N 425.602 4.796 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCc2cc(C(F)(F)F)ccn2)o1 1707357158 CHJNFHKMEFCGBC-UHFFFAOYSA-N 444.461 4.633 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C(F)(F)F)n1 1709729799 AELFAJUCYFPHQF-UHFFFAOYSA-N 428.462 4.905 30 10 IJEE COc1ccc(Cn2c(CC3CCCC3)nnc2N(C)[C@H](C)CC#N)cc1Br 1711851458 ADHVIGCEWGFQOY-OAHLLOKOSA-N 446.393 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)cc1F 1722281349 NDVPOICWCBLGDX-NSHDSACASA-N 437.313 4.554 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CSCCS1 1722404043 OEDCIDMTOAFHSC-CQSZACIVSA-N 427.426 4.560 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC1CCCC1 1722411762 PCTHJTBSWQWQHV-NRFANRHFSA-N 443.636 4.823 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1722523325 NFYQHMAFMXYPKW-LSDHHAIUSA-N 441.523 4.608 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC(F)(F)CO2)CC1 1722564676 SIGVIPGDNBTWBL-OALUTQOASA-N 432.515 4.616 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722590810 JHHIWKDKTZOYGW-GQIGUUNPSA-N 427.420 4.795 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCO[C@@H]1C(C)C 1722659992 JMNDBXKSOMSCFF-MQSCRBSSSA-N 442.579 4.565 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1722684083 QVCGONLAHJNLPN-HNNXBMFYSA-N 436.387 4.571 30 10 IJEE CCN(CC)Cc1ccccc1Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1728406713 GXUZAKIZMKQWSF-SANMLTNESA-N 434.632 4.956 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740567136 HHGPUONOQZOAMZ-WOJBJXKFSA-N 443.389 4.659 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1740779428 GBIVEWLISHRLRI-LJQANCHMSA-N 443.345 4.763 30 10 IJEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1740814075 MDOPHQYAFAQMKH-GOSISDBHSA-N 443.020 4.980 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](OC)C(C)(C)C)CC1 1740819908 JLIUPWHIIXTQFT-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1740846843 NZZBWEZASLGTFQ-IBGZPJMESA-N 442.604 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OC(C)C)CC1 1740849598 PBJQUPXBJYFJGJ-UHFFFAOYSA-N 436.604 4.513 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1740863897 HXVZHSWKXKZABM-IFMALSPDSA-N 437.636 4.823 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740866055 VCLVDHPOXVZOCO-FHWLQOOXSA-N 427.618 4.641 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1740872608 PNFIPVAPNZMZLU-UHFFFAOYSA-N 439.579 4.716 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1740913368 LTMNGAKHYNJTRT-QHCPKHFHSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccsc1 1740921709 FZKYISHHZOJIIN-JOCHJYFZSA-N 437.594 4.563 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CC(F)(F)Br 1740923560 OZCJNHGKMMVELB-CQSZACIVSA-N 447.349 4.762 30 10 IJEE CC[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)OC 1744168149 BCCQQYFCPNLYDS-GOSISDBHSA-N 434.009 4.779 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](OCC)C2)CCC1 1745315671 CLVSVZJVTSTXEQ-QFIPXVFZSA-N 437.588 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCSC(F)(F)F 1748640340 TVXNQYCVZHNAQZ-HOCLYGCPSA-N 426.508 4.746 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(C)(C)OCC 1748651380 LPVWXFSVQZZDCN-CYBMUJFWSA-N 439.785 4.634 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CO)CC1 1748698264 FTALSOLFQGTZAA-LJQANCHMSA-N 445.007 4.701 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@@H](CC)C1 1748706186 CKKUMWOTFNCGLB-FQEVSTJZSA-N 442.629 4.876 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCCC2)CC1 1748709340 SRIHYRPRQPHYJC-UHFFFAOYSA-N 426.008 4.857 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCO[C@H](C)C1 1748935841 BXDYKOYCIPQGEW-UXHICEINSA-N 445.007 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)C(F)(F)F 1749072165 HPYOYRGBUOIWSC-JOCHJYFZSA-N 434.506 4.653 30 10 IJEE C=C(Br)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(F)F)C1 1749091670 CXYMZAMLVGEZHK-HNNXBMFYSA-N 448.315 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(F)F)C1 1749134481 ZKOLZGSCWVYNMW-ONTIZHBOSA-N 430.543 4.640 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1749198602 NUMOVKXGHNFNQS-NRFANRHFSA-N 441.576 4.535 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CCC(C)C)CC1 1749288299 QTQPAWPEUHXERM-RUZDIDTESA-N 434.588 4.679 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@@H](OC)C(F)(F)F)CC1 1749292912 YGVIJVCPGQBYFQ-CRAIPNDOSA-N 442.457 4.681 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1749316289 DXTMXWXRCRFREV-KAOXLYBCSA-N 443.680 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749357102 JFBZXHMSBSSLDX-HXUWFJFHSA-N 438.616 4.884 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN([C@H](C)c2nccs2)CC1)c1ccccc1 1749384371 ASLNVXDTPVASAW-CTNGQTDRSA-N 436.629 4.540 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(CN2CCCCCC2)CC1 1749404168 UNLXQNQOPZSCKH-UHFFFAOYSA-N 436.648 4.713 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749429781 OQXKACCCPMCQQN-HSALFYBXSA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(C)OCCc2sccc21 1749474524 XNMNTWYQYVQYIU-QFIPXVFZSA-N 444.988 4.779 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1CCc1cc(Br)ccc1F)C1CC1 1749516081 OTBDIZRHICFAKJ-UHFFFAOYSA-N 430.325 4.572 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccccn2)CCCCC1 1749621111 CAHDFMXVCQGZQZ-UHFFFAOYSA-N 444.583 4.835 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)Cc1ccc(F)cc1 1749627682 VJLXWAVSSGGDJG-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)C1 1749701261 RMBAWLJBBSSCRK-SMIHKQSGSA-N 438.616 4.740 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)cn1 1752311797 GPDYPZCYDZUBPG-IBGZPJMESA-N 444.583 4.920 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2nc(C(F)(F)F)cs2)nnc1C(C)(C)C 1760327670 KRGHEOQUVXKSOA-XJKSGUPXSA-N 443.539 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(Cc1cccc(F)c1)C(C)C 1760334678 KWQKBMHPJGQCSV-FUDKSRODSA-N 442.579 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(C)(F)F)cc1 1760340761 NFLRUFRHEXATSI-UHFFFAOYSA-N 428.531 4.702 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC2(CCCC2)C1 1760347392 WLMLRLXRBJDEPG-UHFFFAOYSA-N 445.007 4.977 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(F)cn1 1760419444 SAYLKSJMAPRHCE-QFIPXVFZSA-N 437.519 4.556 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1760420132 JLPJTUZPLGEMIP-ZEQRLZLVSA-N 445.611 4.875 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1760441738 SLZGRZOKBGXGRU-OAQYLSRUSA-N 441.938 4.601 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCN1CCCC[C@H]1C 1760458100 STUHAXXBZTUFBW-GOSISDBHSA-N 446.437 4.903 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN(C(C)C)C1 1760499298 UHNFCYXFJUEDCC-XMMPIXPASA-N 444.627 4.696 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2oc(CC)nc2C)C1 1760537030 LJBYIUSLOGGNJC-SFTDATJTSA-N 435.572 4.508 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1760541730 GSYQUKQURGDFDP-XRXFAXGQSA-N 446.636 4.531 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccsc1 1761520282 DQUYFHOLHSAZTK-MRXNPFEDSA-N 425.533 4.797 30 10 IJEE C[C@@H]1C[C@H](CCn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1762740240 HTVKSYDNTXJMIC-WHSBFGAESA-N 435.616 4.789 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1cccnc1)C(C)C 1768878362 GXMGKEAHDDIQHE-ATIYNZHBSA-N 444.583 4.919 30 10 IJEE CSC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H](C)CC#N 1770367419 FWMZTYYBTODPMR-KRWDZBQOSA-N 439.585 4.997 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1)C(C)(C)C 1770439226 BJZHEDRAKLZTKR-ZLGUVYLKSA-N 439.629 4.598 30 10 IJEE Cc1c(OCc2ccc(Br)cc2F)c(=O)ccn1Cc1cccc(C#N)c1 1857918389 OOEMMAWLQWGXFG-UHFFFAOYSA-N 427.273 4.557 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4ccnc(Cl)c4)CC3)cc2)c1 1860683411 UVVYIVJPEBNUHW-UHFFFAOYSA-N 443.890 4.755 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(CC)cc1 1862402199 SUZCXWMQIAHSGV-QHCPKHFHSA-N 437.536 4.571 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480386 FQRWBGPZHZVYLO-NRFANRHFSA-N 448.500 4.786 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(Cl)cc2)c1 1862491648 YBJSBEYNTHFYAJ-JOCHJYFZSA-N 440.971 4.877 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2ccc(C)cc2)cc1 1862515808 VRAUZFBNPWCSNC-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@H]2c2cccc(F)c2)c1 1862556039 NVCBPSWPORORHA-TVQFERKRSA-N 446.522 4.955 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862559848 YNCDKZMDEJNMLG-HSZRJFAPSA-N 446.478 4.585 30 10 IJEE CN1CCCc2cc([C@@H]3C(C(=O)c4cccc(N)c4)=C(O)C(=O)N3C3CCCCC3)ccc21 1862565061 OKSVIPXUHSHMBJ-XMMPIXPASA-N 445.563 4.562 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2Cl)cc1F 1862641489 UMAHQHNXWJPBQY-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862678377 MSDAFLVZJVCBAI-QFIPXVFZSA-N 445.446 4.611 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2c1 1862720709 CDQOGXOANFQIPW-HXUWFJFHSA-N 442.298 4.717 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccccc3F)C2=O)cc1 1862982524 SFTPSHGOKSIAOT-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(c2ccccc2Cl)C1=O 1863062880 WDHVQBPNAVNDEV-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3F)C2=O)c1 1863409152 YXSHIYZNBSDZTQ-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(OCC)cc2)C1=O 1863569293 ONINHLJFBCAINK-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccc(C)cc2)C1=O 1863620608 ZRZWMTVEPIFMIC-UHFFFAOYSA-N 428.617 4.968 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868247122 XIRNYFMAYVBYIR-NRFANRHFSA-N 449.942 4.512 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@H](c3cccnc3)C2)nc(-c2ccccc2)n1 1868373474 WBBMDHCXBCFMBP-QHCPKHFHSA-N 434.503 4.732 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@H](CC(C)C)c1ccc(F)cc1 1868936793 YDVTYHDQYPCKKY-RBBKRZOGSA-N 434.621 4.784 30 10 IJEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(F)cc1 1871118313 KIDDCOXZASPSPH-UHFFFAOYSA-N 431.552 4.604 30 10 IJEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(OCCCCCC)cc1 1871146493 KYSAWQMEBAJLRQ-UHFFFAOYSA-N 442.556 4.547 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1cccc(C)c1 1871191434 XONYMWFQJVQRCA-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCCCN2CCCC2)CO3)C1=O 1871349606 YWNQPFIUSGDKBK-UQQQWYQISA-N 448.563 4.729 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1Cl)C2=O 1871433311 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Oc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1O 1874375525 AQTFMBWYLVRNLC-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccnc1 1874421099 VCAOMOYSWOXQFV-ZVHZXABRSA-N 448.577 4.577 30 10 IJEE COCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1c[nH]c2ccccc12 1874475673 LWFLZCKSYATTGP-BRJLIKDPSA-N 443.935 4.915 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccc(F)cc1 1874475927 ZRULZXBEMIRELR-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874477415 ZFMADIFAXVFKNO-ZVHZXABRSA-N 426.517 4.706 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1ccccc1C 1874480073 GWHIGFSGOSIFLF-DUYBAWCLSA-N 435.597 4.781 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1 1874483805 OIBKMLRZLMVFRP-WYMPLXKRSA-N 445.951 4.981 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 1874610829 NPJSGPAREYBCIY-BJMVGYQFSA-N 447.871 4.875 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccccc3OC)c2)cc1 1874698927 VHOONYHFKAJNHV-LFIBNONCSA-N 432.472 4.974 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccccc3)ccc2OC)cc1 1874700107 BMDPUJHOWVXOGA-OQLLNIDSSA-N 432.472 4.974 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 1874719438 JPSJQSZGLDWIIQ-UHFFFAOYSA-N 441.369 4.877 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1OC 1875099074 RNJTYTWOIWDSCP-BJMVGYQFSA-N 432.428 4.548 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(F)c3Br)cc21 1890474474 WVACPZJATGYJHM-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912188172 NSUUHYHMDFGEES-GSHUGGBRSA-N 448.568 4.853 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1cc(OC)ccc1Br 1922125211 LPJOJVVNWDSQQA-FGZHOGPDSA-N 434.374 4.632 30 10 IJEE N#Cc1ccc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)cc1 1951409672 JKZUEVNQUVEKJA-LJQANCHMSA-N 426.472 4.655 30 10 IJEE C=C(C(=O)O)[C@H](Cc1ccc(OC)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951600092 HQJZXKVVZZDJJD-VWLOTQADSA-N 443.499 4.786 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C12[C@H]3CC(C[C@H]31)[C@H]2NC(=O)OC(C)(C)C 2012846795 REXNVDZZKFRZKT-KQYBRUMESA-N 426.601 4.677 30 10 IJEE C=C[C@@]1(Oc2cc(NC(=O)OC(C)(C)C)ccc2N)CCCN(C(=O)OC(C)(C)C)C1 2021705871 JDRIRAWDUDVKMA-HSZRJFAPSA-N 433.549 4.950 30 10 IJEE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C#N)c1I 2079988421 YWEFUNUZHCMLBV-MRXNPFEDSA-N 435.309 4.949 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441472 DEDSVQOKTLYCKK-MRXNPFEDSA-N 426.330 4.907 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCCC 2145543085 CRPRAZNYJSYENT-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3cc(Br)cnc3C#N)CCCCC[C@@H]12 2167613448 NBMSKPPHGMDWJW-XLIONFOSSA-N 435.366 4.840 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CNc1ncc(Br)cc1C#N)c1ccccc1 2175022933 QUVMOQDRBQOSNL-QGZVFWFLSA-N 431.334 4.736 30 10 IJEE CC[C@@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(Br)c(C#N)c1 2180921141 HSPUDUUBDARMTN-CQSZACIVSA-N 438.366 4.980 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(Nc3ccc(C#N)c(Br)c3F)CCC[C@@]2(F)C1 2182457840 VUDPPKVMYFEXJC-MOPGFXCFSA-N 442.304 4.753 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCCC)c2nc(CC)[nH]c2Br)C1 2183009053 UBQNXLJMKFTJEU-INIZCTEOSA-N 441.414 4.636 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)c1ccccc1 2243911166 PCFYZMLYGCGDOY-DEOSSOPVSA-N 439.515 4.685 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(OC)c1 2266734267 RFSIDXYKTQZXNA-FUHWJXTLSA-N 427.383 4.968 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)[C@H]1C[C@H](B3OC(C)(C)C(C)(C)O3)C1)CC2 2267559883 VREHLNMNXTUPFT-QAQDUYKDSA-N 442.365 4.795 30 10 IJEE CN(CC[C@H](Nc1ncc(Br)cc1C#N)C(C)(C)C)C(=O)OC(C)(C)C 2278529893 CPSXUMKLNKUQJR-HNNXBMFYSA-N 425.371 4.799 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1sccc1CNC(=O)OC(C)(C)C 2278808581 CXMJUEPRSITELU-KRWDZBQOSA-N 435.387 4.848 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2cccc(Br)c2)c2ccccc21 2296222371 RDXSTIFTXHBVBK-SFHVURJKSA-N 426.310 4.909 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1ccc(NC(=O)OC(C)(C)C)nc1 2296225031 QGRYTMJVIYPFSU-GOSISDBHSA-N 430.346 4.893 30 10 IJEE CC(C)COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 2297744108 XOKLDNGSCYGAGY-QFIPXVFZSA-N 448.544 4.800 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2305315664 FIXITGUDIKBIIE-HDTAIWHDSA-N 428.573 4.601 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 2306623708 RJUFAQRLWWYWHD-JWQCQUIFSA-N 428.573 4.699 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)c(OC)c2)cc1 2314430141 XGEWHZJUAXSKRH-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=CC[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317348112 IQFPLSWDHIWNGJ-JKGDOXCYSA-N 430.354 4.574 30 10 IJEE Cc1cccc(NC(=O)CSc2nncn2N=Cc2ccc(C(F)(F)F)cc2)c1C 2321230175 FIALQXAWDVDHJD-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)OC(=Cc2ccc(F)cc2)C4=O)cc1 2321937367 KKHPYMKEWBWPLX-UHFFFAOYSA-N 431.463 4.845 30 10 IJEE CC(C)Oc1cccc(C=Nn2c(S)nnc2CCCOc2ccccc2Cl)c1 2322234876 RZJCDMBRHCMYFK-UHFFFAOYSA-N 430.961 4.901 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)c1 2322309261 PRQDXXSDRJACPR-UHFFFAOYSA-N 430.285 4.659 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(OC)c(C)c2)cc(Cl)cc1OC 2322415795 RALRLZBEUDXSBQ-UHFFFAOYSA-N 445.943 4.809 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc([N+](=O)[O-])c1)C3=O)CN(CCc1cccs1)CO2 2322416581 AXPXDNXYYDFNII-UHFFFAOYSA-N 448.500 4.976 30 10 IJEE O=C(C=Cc1ccc(F)cc1)Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323044071 LGQQJTCCJAJLLT-UHFFFAOYSA-N 431.375 4.969 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2323076025 QOOWCPSVXPSUSP-UHFFFAOYSA-N 434.419 4.825 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(CC)cc1 2325552596 BEZKICIXGVPLGT-UHFFFAOYSA-N 426.542 4.737 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2ccc(F)c(F)c2F)ccc1OCc1ccccc1 2325651689 BFQKCYBOUDSEPA-UHFFFAOYSA-N 441.405 4.913 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1OC 2325702867 BVYVIYPNBIRKGU-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OC(C)=O)cc3)c2)c1 2325706539 JPJYOPDHCUNXKG-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2N=Cc2ccc[nH]2)CC1 2328214884 QXUXPVRUJQHGGT-UHFFFAOYSA-N 431.606 4.998 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccn2C)cc1 2329242412 STRNXXPHRFNZHX-UHFFFAOYSA-N 431.565 4.699 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1 2330965793 PPYBECJFQBSSSQ-SFHVURJKSA-N 442.928 4.656 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccncc2)c1C 2331029918 DZWNLUQGGZDLQP-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE COCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2331254732 UGLIHEJOSRCQSS-UHFFFAOYSA-N 445.932 4.512 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cc(Br)c(OC(=O)C2CC2)c(OC)c1 2331366292 JXRDHMJROCXMKF-UHFFFAOYSA-N 445.309 4.986 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2339584696 FECRQCOFSWHWDC-GOSISDBHSA-N 442.365 4.505 30 10 IJEE CC[C@@](C)(CNCc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1)N(C)Cc1ccccc1 2343657892 PQKBBJGJRNUCMZ-MHZLTWQESA-N 436.449 4.685 30 10 IJEE CC(C)(C)OC(=O)NCc1cccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)c1 2364742407 ZOEJXCJONHHHTH-UHFFFAOYSA-N 449.360 4.626 30 10 IJEE COc1nc(Oc2ccc(Cl)cc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2365380175 OXWVTWNTNVEFHB-UHFFFAOYSA-N 440.530 4.598 30 10 IJEE N#Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c1 9176395 AMSLXVPUZUSOPG-UHFFFAOYSA-N 446.919 4.642 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 12241343 NEHXDDROPKMMOF-UHFFFAOYSA-N 425.492 4.543 30 10 IJEE CC1(C)CC(=O)C2=C(C1)N=C1N=C(SCc3ccccc3)NN1[C@@H]2c1ccc(O)cc1 17098059 HLPBBLFAKAANFP-OAQYLSRUSA-N 432.549 4.556 30 10 IJEE Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Br)cc3)CC(=O)N2C)cc1C 100262498 KZIHMXYKWDEUHP-HLGQQVFSSA-N 446.370 4.656 30 10 IJEE CCOc1ccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1 103022591 NKQRCPWAUJRMMD-LPYMAVHISA-N 440.448 4.608 30 10 IJEE Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 103220402 JJLLUPBOYYXTQG-MOBKVPTQSA-N 428.444 4.525 30 10 IJEE CCOC(=O)c1sc(N/N=C\c2cc(Cl)c(OC(C)C)c(OCC)c2)nc1C 169943383 UZWHEUCCMGEFFI-FBHDLOMBSA-N 425.938 4.914 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968158 URALHHNJGPNFDH-RUZDIDTESA-N 441.483 4.826 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccc(C)c2)c1 169972671 KGCZVJHNOMMRGE-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(Cl)cc2)c1 170057066 HIAFXCMRYGRHFM-NRFANRHFSA-N 427.928 4.960 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170058297 CDYCGGPONGDWTA-IEBWSBKVSA-N 432.303 4.751 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1C 170076826 PATZTTVHQVXRTJ-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2c[nH]c3ccccc23)ccc1F 170077925 KYISINCSPJWCMU-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc(O)c2)cc1 170080344 DPMQKXFTFPTQQK-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccc(C)o2)cc1 170102451 LJSLOAMWRLBKPT-HSZRJFAPSA-N 431.488 4.938 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(N(C)C)cc1 170129212 BEPORZJRSPJKBB-IBGZPJMESA-N 443.341 4.503 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccn1 170179062 IIXHLIHODAFOMQ-QHCPKHFHSA-N 441.531 4.861 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccncc2)cc1C 170202425 NSIJOFQXHOSBJI-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)c1 170248430 FDNGEKAGDQCHRO-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)c(OC)c1 170249082 SHTFPQHZIPBHEA-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC(C)=O)cc1 170320199 ATANPTSYWUVNTA-HXUWFJFHSA-N 427.884 4.644 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 170345273 ISYZKZNBJMCEKK-NRFANRHFSA-N 446.484 4.507 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccncc2)cc1 170359368 QWKPTEIDQXASGV-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 170362462 VPIDSLSCBUWLFE-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(F)cc1)c1ccncc1 170376156 DZIZEZQRBYKZLI-QHCPKHFHSA-N 443.478 4.604 30 10 IJEE COc1cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1O 254378097 BVURMOMMQMGUNG-UHFFFAOYSA-N 427.468 4.519 30 10 IJEE CN1CCC[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H]1c1cccs1 438078552 VXINTEHTSAUHGT-GBXCKJPGSA-N 430.577 4.748 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2cnc3ccccc3c2C(F)(F)F)CC1 438619166 BUUQNTPRQUOMJH-UHFFFAOYSA-N 440.425 4.640 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508478854 UJFKYUCXSZTTIT-SFHVURJKSA-N 447.514 4.663 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(Oc2ncccc2F)CC1 508901705 GXUGUNNBXYBUBQ-UHFFFAOYSA-N 447.436 4.732 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 508953017 SRHFXFMJKQWQSP-NHCUHLMSSA-N 440.906 4.511 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H](C)Cc1ccc(OC)cc1 553317112 IATBDOOJBCUHNW-SFHVURJKSA-N 448.567 4.518 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2ccsc2)C1 563472865 UCCYMPGKBYLZLJ-BDTNDASRSA-N 436.581 4.739 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCc2cc(OC)c(OC)cc2CC1 606772263 MVYAFULKXVSKAJ-UHFFFAOYSA-N 435.442 4.528 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 610304191 NVGRDMLPNAFEGJ-RUZDIDTESA-N 436.515 4.585 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1cccnc1 623014745 FGXZBAAXXXEXQW-HUUCEWRRSA-N 427.961 4.538 30 10 IJEE C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 643901774 NUKKYFVCQLQBGR-HXUWFJFHSA-N 429.314 4.751 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 693764451 UROMCIDABMPNTE-NXMSCROESA-N 433.593 4.951 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc2c(c1)CCC2 742214578 ZRJPFFDFOIPCED-QFIPXVFZSA-N 449.551 4.688 30 10 IJEE C=CCNc1ncc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)s1 764459834 DGIUYDKURHBMLZ-MRXNPFEDSA-N 427.505 4.688 30 10 IJEE CCc1cccc[n+]1/C(C(=S)N[C@H](C)Cc1ccccc1)=C(/O)c1ccc(C#N)cc1 786045381 YYWBKIXRBSDMKW-LJQANCHMSA-O 428.581 4.840 30 10 IJEE CC/N=C1\S/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C(=O)N1CC 1084418337 WFJNECPZYSYCNF-XHFTXJRRSA-N 433.533 4.700 30 10 IJEE CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccc(Cl)cc3)S2)cc1 1084531205 CAVKRYXZZAJZFW-SFHVURJKSA-N 431.945 4.719 30 10 IJEE N#Cc1cccc([C@@H]2CN(c3nnc(C4CCCCC4)n3Cc3ccccc3)CCO2)c1 1122015074 IYPWNDASQDSFTL-DEOSSOPVSA-N 427.552 4.824 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2ccc(SC)cc2)c(C(=O)OCC)c1C 1124757658 VPSUCOSZPOTHAW-UHFFFAOYSA-N 447.578 4.869 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1125552953 XTWWQWGXVXQVBH-GCJKJVERSA-N 442.346 4.599 30 10 IJEE C#Cc1cccc(N(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C(C)C)c1 1125773309 MLEJLLWSKFEANZ-UHFFFAOYSA-N 448.260 4.544 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(COC2CCCC2)cc1 1126391717 CEINXHQINPJEHC-UHFFFAOYSA-N 429.314 4.797 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)s1 1127054366 YEECEEGSOOYJSM-SFHVURJKSA-N 436.046 4.572 30 10 IJEE C=C(C)[C@H](CC(=O)N(C1CC1)[C@H](C(=O)OCC)c1ccc(Cl)cc1Cl)OCC 1128065678 HUZQMBFITSDCCR-ICSRJNTNSA-N 428.356 4.960 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CCCN1C(=O)OC(C)(C)C 1128206638 ISZLFCHNWFZDJF-LZCXECNNSA-N 442.600 4.832 30 10 IJEE C=C[C@@H](CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1134621437 USJFJMNOCRZSJU-FPMFFAJLSA-N 427.335 4.976 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1147165337 GHPRGHBTJGWEMG-WMZHIEFXSA-N 440.565 4.555 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2n[nH]c(C)n2)c(Cl)c1 1152464204 LZTURFUXMSHZSS-QGZVFWFLSA-N 433.940 4.622 30 10 IJEE CCCc1c(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)cnn1-c1cccc(C#N)c1 1154625765 GYDPNSPVIDJXNS-KDURUIRLSA-N 443.551 4.562 30 10 IJEE C=CCn1c(SCC(=O)c2ccccc2OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164417689 BWPROXBXQWGVCV-AWEZNQCLSA-N 440.590 4.752 30 10 IJEE C=CCN(C)[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 1193607392 SYZICVMJUOKJEP-IERDGZPVSA-N 426.582 4.847 30 10 IJEE Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCc2c(sc(N)c2C#N)C1 1196287502 FEJZDVHSOFXUKN-UHFFFAOYSA-N 446.536 4.745 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1220183950 DTCFBLFYICAQSH-HXUWFJFHSA-N 439.560 4.853 30 10 IJEE C#CC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1220532946 BVHIIYPRNMOZET-DYESRHJHSA-N 428.001 4.556 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC([C@@H](O)c2cccc(OC)c2)CC1)c1ccc(F)c(F)c1 1226658407 BRHTUPZUQQZXKF-XZOQPEGZSA-N 430.495 4.746 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCC(c3nc(-c4ccccc4OC)cs3)CC2)c1 1230087283 SHXMCZWKCICFEU-UHFFFAOYSA-N 431.561 4.889 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1ccccc1 1264039143 ZJNOUZFZFUIZSC-YDHSSHFGSA-N 426.582 4.652 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)/C=C\c2ccc(OCCN(C)C)cc2)c1 1264919705 CGSVKCABOQDHPF-QINSGFPZSA-N 430.573 4.916 30 10 IJEE C=CCC[C@H](NC(=O)c1nn(C)c(C)c1Br)c1ccc(C(F)(F)F)cc1 1266463251 UCRHKLPOAOMGTJ-AWEZNQCLSA-N 430.268 4.947 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2ccn(-c3cccc(F)c3)n2)n(-c2ccc(C#N)cc2)n1 1272252920 HOJQQMNPILKRGA-UHFFFAOYSA-N 428.471 4.619 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)c1ccc(Cl)cc1F 1275497686 HOKAZLLSOKDUMM-LJQANCHMSA-N 429.829 4.536 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1286333793 CMOUNDDDEHRYPO-QFIPXVFZSA-N 437.657 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCCCCCCN1CCCC1 1286525945 NBLKMQHQCIMJSG-RCZVLFRGSA-N 427.637 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCc1ccccn1 1286528614 IAJVDZARIHGNAW-HSZRJFAPSA-N 438.000 4.854 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1286638692 JMYOSPAXRDQSGQ-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOCC2(C)C)CC1 1286639978 BCYPEBCDNISOHI-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](COC(C)C)C1 1286666108 CIXNYIBMJYPMIH-NRFANRHFSA-N 449.599 4.726 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286702418 MNGDPEXKQQWZPZ-UHFFFAOYSA-N 449.624 4.604 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1CC1CCC(C(F)(F)F)CC1 1286731086 YWWRQOOLVICYFF-UHFFFAOYSA-N 426.458 4.987 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC(F)(F)C1)C1CC1 1286734696 VDSBYHVNPKFTSD-GFCCVEGCSA-N 426.309 4.626 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)cc1F 1286749535 VPOJMCVBGMWQQE-QGZVFWFLSA-N 430.524 4.753 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccccc1OC 1286750210 TYGRFGNIPHHWKZ-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCc1cccnc1 1286753288 ZYMFTNQNTRBWKR-UHFFFAOYSA-N 430.375 4.585 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC1(SC)CCC1 1286762697 JWKSCIVRXQMTBK-NRFANRHFSA-N 426.630 4.693 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCS[C@H](C(C)C)C1 1286795711 LMZYQUXZJQVAAQ-QFIPXVFZSA-N 435.597 4.531 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(Cl)c(I)c3)cc21 1289390650 OAVSPSHCDLJABL-UHFFFAOYSA-N 437.668 4.733 30 10 IJEE C=CCCOCC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1292771764 INHACVMWOSOXPA-UHFFFAOYSA-N 433.379 4.820 30 10 IJEE C=CC[C@H](C)NC(=O)c1ccnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1293502593 KXZADXHXYVBWII-SFHVURJKSA-N 441.531 4.815 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl 1294212243 ZQBIVAAPDYSADY-GJZGRUSLSA-N 429.344 4.793 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1294989964 AWBWOWJKLJKXDI-BAGYTPMASA-N 425.552 4.740 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1297798348 CDRLZXKYCGVSMW-QGZVFWFLSA-N 425.326 4.721 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc2c(nc1O)CC[C@@H](CC)C2 1299170399 OBDBXCOGZUEMST-CYBMUJFWSA-N 431.330 4.882 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1300358197 MBLKUZVTDAZOMP-UHFFFAOYSA-N 445.567 4.508 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1300366620 NPLUGIXFVFTHRU-QHCPKHFHSA-N 448.533 4.511 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CN(C)C(C)C)CC1 1300377440 VJRVNNRTPJAMSZ-DHIUTWEWSA-N 443.680 4.557 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1300384653 UNAVUBNYUUNYAS-OAQYLSRUSA-N 446.599 4.998 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(C)(C)C1CC1 1300560576 DZCNVQJNHNWPEG-UHFFFAOYSA-N 426.568 4.624 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300633643 MXNPHPOKDPLEEN-OYRHEFFESA-N 446.643 4.566 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1300633645 MXNPHPOKDPLEEN-SFTDATJTSA-N 446.643 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1c(CC)noc1C 1300785642 ASFVHZOEVKTYGK-FQRUVTKNSA-N 447.583 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@](C)(O)CCC(C)C 1300786673 HFUFANGXNBVRKT-UKDVSSAZSA-N 442.579 4.737 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1300894519 DJBJIUDOMLPYHH-UNMCSNQZSA-N 437.588 4.531 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1300930916 QLDVKFSWDHCNEB-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1301069294 BYSHBWMXLZKWQY-LJQANCHMSA-N 445.558 4.823 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1301089064 PPZKGWSURGMMRW-UHFFFAOYSA-N 435.616 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(CCC)C(=O)C1 1301141891 RUFMEOVZFRHXJU-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C(CC)CC)N(C)C 1301270642 JVBCYAYCIAXIBI-IBGZPJMESA-N 434.426 4.696 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCCN1CCCC1)C1CC1 1301316941 LSWPYOTYPIFKBS-UHFFFAOYSA-N 444.421 4.657 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1301470204 SJVUBPWYLKMAQB-ROUUACIJSA-N 439.387 4.990 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2cccnc2)C(C)C)C1 1301554294 ZIOQZDYMIYDSJT-JTHBVZDNSA-N 447.583 4.570 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1302151078 HFNLRNYWBWYTQW-VWLOTQADSA-N 437.588 4.703 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccccc1 1303262677 NZQCOGJKLXKLCX-FCHUYYIVSA-N 442.600 4.659 30 10 IJEE C=CCC[C@H](C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccccc1 1303262680 NZQCOGJKLXKLCX-YADHBBJMSA-N 442.600 4.659 30 10 IJEE C#CC1CCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)CC1 1307870500 UWMGCQDBHRUKTE-UHFFFAOYSA-N 430.957 4.529 30 10 IJEE O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 1312297758 DHHSGHFPPIGXSI-NVXWUHKLSA-N 438.343 4.569 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(CC(C)C)C1)C1CCCC1 1313585387 FZNFOOPXXGCAFQ-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE CCN(CC)[C@H](Cn1c(CC2CC2)nnc1N1CCC(CC#N)CC1)c1ccsc1 1313676514 FPKZGSPQTFYRDX-OAQYLSRUSA-N 426.634 4.505 30 10 IJEE COCCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCC1(C)C 1316101253 FVMYRNCGRNVIDQ-LJQANCHMSA-N 429.996 4.715 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1358908487 YZGOMCQGDZNFJW-IBGZPJMESA-N 440.588 4.548 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)c1ccccc1 1358915218 WHVICFFMJQXZEO-NRFANRHFSA-N 426.568 4.560 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(Cc1c(F)cccc1F)C1CC1 1359098958 ICEKRQYKTCHTIF-UZUQRXQVSA-N 430.543 4.905 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)N(C)C 1359116671 UDVYAJCQNHWPSG-DNVJHFABSA-N 439.648 4.902 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2scnc2C)CC1 1359162293 LLSLQHXPCAAFLE-UHFFFAOYSA-N 439.585 4.516 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CC1(O)CCCCCC1 1359260390 CLBCUYFLQHNGMH-JOCHJYFZSA-N 442.579 4.937 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCc2ccccc21 1360469664 GBRHBEJJFYQGTD-ZBFHGGJFSA-N 439.361 4.504 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 1435688448 DWVVTTIRVWTOLL-HXUWFJFHSA-N 426.900 4.810 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1439339639 KDJPHFCYDQARMU-OKZBNKHCSA-N 426.479 4.650 30 10 IJEE C=C[C@@H](CC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1440748638 RGOLQECFTBSEMI-FQEVSTJZSA-N 445.529 4.694 30 10 IJEE C#CCN(C(=O)C1CCc2ccccc2CC1)[C@H]1CCOc2ccc(Br)cc21 1456451182 TVOQPTJUDFIIEF-QFIPXVFZSA-N 438.365 4.930 30 10 IJEE C=CCCCCCN(C)C(=O)c1ccc(Br)cc1I 1456670442 PWDWDDJOHNRSPI-UHFFFAOYSA-N 436.131 4.872 30 10 IJEE C=CCN(CC1CCCCC1)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1459481780 JDZODVYZHDXZCM-GOSISDBHSA-N 430.548 4.857 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1459919699 KACRFNXRIXGQSI-UHFFFAOYSA-N 445.359 4.844 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2COc3cc(F)ccc3C2)cc1OCC 1461643926 TWWAMYRNAFFHJA-KRWDZBQOSA-N 436.321 4.645 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C(F)F)C1 1466039339 NAOYUZMZMPUKCN-QFIPXVFZSA-N 440.490 4.583 30 10 IJEE C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1468456980 DHPLNZTUTUSMTG-QGZVFWFLSA-N 435.911 4.735 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507521997 FBKISSLUAHFWDD-ZCNNSNEGSA-N 433.600 4.906 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](c1ccco1)N(C)C 1507605427 SUBSGLSKKYVWET-MRXNPFEDSA-N 439.972 4.779 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1CC 1507686750 FXOIXBMDNRCQCY-PMACEKPBSA-N 446.599 4.522 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC[C@@H]1C 1507705640 VJHKSDYEOITXBC-LPHOPBHVSA-N 445.405 4.538 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@H](C)C1 1507838336 AESGTJTYMFMPFN-DLBZAZTESA-N 432.659 4.666 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCOC(C)(C)[C@@H]1C 1507840243 YPGPVYCZXCUPSS-MSOLQXFVSA-N 444.645 4.728 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(Br)s2)CC1 1507899932 ZCZOWMNZDQVHQJ-UHFFFAOYSA-N 446.418 4.753 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1)c1ccccc1 1507930657 YSKDTLHRHJDSTJ-QHCPKHFHSA-N 449.643 4.818 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1507954422 NIZGAMBPVXPKCG-LJQANCHMSA-N 449.578 4.755 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1507996506 HRCVZPNHICXGJQ-ROUUACIJSA-N 442.677 4.545 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1CC1(N2CCSCC2)CCCCC1 1508003280 XAOOBLIULTZAIL-UHFFFAOYSA-N 439.673 4.785 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CCCNC(=O)OC(C)(C)C 1508022348 ZWTMAZHKIFDXIC-UHFFFAOYSA-N 441.620 4.726 30 10 IJEE C#CCOc1ccc(C(=O)O[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1514717774 YADCIJVMCDAAGT-OAQYLSRUSA-N 428.410 4.962 30 10 IJEE C[C@H](NS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c1)c1ccccc1 1518183583 DAJIBESKLBBJEV-ROUUACIJSA-N 434.517 4.516 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3sc(N4CCCC4)nc3s2)cc(OC)c1OC 1519362177 SJOBUOAOLNDVMF-UHFFFAOYSA-N 443.594 4.634 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C(=O)c2ccc(Br)s2)c1 1520385470 WMSZXXPBLTZLPC-UHFFFAOYSA-N 430.348 4.970 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 1525003655 JCKSFIFMXLZAKS-UHFFFAOYSA-N 428.532 4.753 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)COc1c(Br)cc(C#N)cc1OCC 1525070673 XHNAOHFNHYFASX-UHFFFAOYSA-N 443.341 4.703 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 1526528668 NVHZDLKEURXJFO-UHFFFAOYSA-N 433.405 4.833 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](CC)C2CC2)ccc1Cl 1529133946 YLIXBQOLIAOEHM-FQEVSTJZSA-N 432.973 4.640 30 10 IJEE C=CCCN(C)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C 1529200421 ACGISOMOIPYXQH-QHCPKHFHSA-N 438.568 4.736 30 10 IJEE C#CCN(C(=O)c1ccccc1OC1CC1)[C@H]1CCOc2ccc(Br)cc21 1531554002 RRYBGAJGJASBMF-IBGZPJMESA-N 426.310 4.590 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(F)(F)F 1539296885 VLYKLPRLUOIWFD-INIZCTEOSA-N 438.881 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCN(C)C1CCCCC1 1539548847 XUAYIWRQAWGWEF-AREMUKBSSA-N 435.616 4.600 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)O[C@H](C)C1 1539579128 HUTNGHMEKOJDDG-JZXOWHBKSA-N 449.393 4.557 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(C)C 1539629417 XFOUSIRKLDEIIQ-NZQKXSOJSA-N 434.588 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1539632194 PYEDWUJVFJEGNJ-KWOQKUFVSA-N 438.616 4.993 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1539682071 GAJVPCTXHBHAMJ-FJIDUMEYSA-N 430.515 4.698 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCSC(C)(C)C1 1539715830 IPWBWEHHVXQKDG-UHFFFAOYSA-N 437.407 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1539909534 MVYMROBVQLYQKS-VQTJNVASSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539910103 DXNHVXNHOOOZSN-UHFFFAOYSA-N 433.604 4.672 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540013345 OKHMHCYLQAQMNQ-FGZHOGPDSA-N 437.632 4.928 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C 1540043030 VBEHNSMAERNQON-PMACEKPBSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc2c(n1)CCCC2 1540059088 MXXGKEOYKHVGLC-UHFFFAOYSA-N 447.583 4.685 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1540062562 SNLFVNHWVPOBEW-IBGZPJMESA-N 425.577 4.523 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1540920099 OCYMJQSSVKDXNG-UHFFFAOYSA-N 442.482 4.614 30 10 IJEE C=CCSCCn1c(N2C[C@@H](C)CC[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540922608 SWCXXDXCXGAQJC-ZSYWTGECSA-N 449.665 4.593 30 10 IJEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)C1 1543596622 HLASKWOEHDQOIS-NJDAHSKKSA-N 446.599 4.975 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S[C@H](C)CC)cc2C)s1 1544475686 YYDALFBANUHOHJ-OAHLLOKOSA-N 438.640 4.593 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 1544526652 HRPZFJUIYDRUQT-DOPJRALCSA-N 434.968 4.802 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](F)(C#N)C1)OC 1545282454 IABSMJWTKIKHNU-CEXJFXJFSA-N 445.608 4.779 30 10 IJEE CCC[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1546832744 HPBOQJJLYXHLAF-OPXMRZJTSA-N 439.604 4.716 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@](C)(C#N)C2)CCCCC1 1555436014 ICVBDWYPMJMJGC-RUZDIDTESA-N 446.599 4.934 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)C(C)C 1558910311 ZGHHSVZKHOSQOT-OZXSUGGESA-N 447.623 4.507 30 10 IJEE N#Cc1ccc(CN2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c(OC(F)F)c1 1559882995 BDMVPONURYFOTK-GOSISDBHSA-N 428.357 4.632 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCSc2ccc(Cl)cc2)s1 1562015110 FMSGALTXMLOTAS-OAHLLOKOSA-N 427.016 4.999 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 1562406093 WMTYMKRQYBDPQC-AVRDEDQJSA-N 433.618 4.896 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(CC)c1C(=O)OCC 1565948131 GYGHEINVVLKWHF-AWEZNQCLSA-N 444.981 4.770 30 10 IJEE C=CCOc1ccc(C(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)cc1OC 1566199058 YABGYALSTXGLBN-UHFFFAOYSA-N 433.504 4.797 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2CC(C)(C)C2)c1 1585203776 RVFXXGDLFSVHDJ-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE COc1ccc(-c2ccc(C(=O)Nc3ccc(Br)c(C#N)n3)c(F)c2)c(F)c1 1585749425 AFIAEIOJZQCWHS-UHFFFAOYSA-N 444.235 4.922 30 10 IJEE C=CCCONC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1586069501 PJTCDLGGNZXTJK-UHFFFAOYSA-N 436.581 4.948 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)[C@H](C)CC 1587568098 MRJIEVGGIJAJDF-XVTZWQNCSA-N 437.613 4.632 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(Cl)s1 1587598616 CXPQOLJUQKJBGY-AWEZNQCLSA-N 430.961 4.574 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1587758853 IGQYPALVHCJYSG-HJOGWXRNSA-N 436.600 4.927 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(C)C)C1 1587766711 XUQJPIPBPBMRNM-OAQYLSRUSA-N 443.636 4.678 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccnc1OCC 1588288724 JPEGRYJRSNIITA-UHFFFAOYSA-N 430.339 4.553 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(CC)C1CC1 1588288964 SOKRPEBZLMTXOE-UHFFFAOYSA-N 437.588 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1588310236 VVLWDVMMLKLJHU-UHFFFAOYSA-N 432.597 4.883 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1589357723 GFIUDFQGGRCHMI-UHFFFAOYSA-N 437.357 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1589609157 UTLYFVQFVGJYAR-GHTZIAJQSA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1589615527 QYYBFJMNLLTXMC-UHFFFAOYSA-N 441.583 4.847 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)C1CCN(CCC)CC1 1593721943 HJTBNOGLXBVHRF-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1C1(c2ccccc2)CCC1 1594662040 ZUANCTWZCRNCGJ-JOCHJYFZSA-N 435.616 4.599 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)Cc1ccccc1 1595844955 KPKJTEMFWUASQR-UHFFFAOYSA-N 446.418 4.981 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1595901605 ZQZYHHDRTMBVMZ-OAQYLSRUSA-N 444.645 4.869 30 10 IJEE C=CCOc1cccc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)c1 1597426354 QAYACXPODWFIRU-JOCHJYFZSA-N 433.508 4.596 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC 1597580869 YUYXDRKEEXTUDH-IBGZPJMESA-N 429.561 4.564 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1C 1615597644 DLLNNUJJWWQAIH-RXVVDRJESA-N 435.597 4.620 30 10 IJEE Cc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3cc(C#N)ccc3Cl)s2)cc1 1621800605 DXKRKCOIEMZCNV-CQSZACIVSA-N 431.970 4.992 30 10 IJEE Cc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1C(=O)OC(C)(C)C 1623452740 HKBLIQJYYJGIGN-UHFFFAOYSA-N 435.524 4.897 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C 1623835100 MSZRZFLNVUZVGT-UYAOXDASSA-N 429.561 4.636 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(C(F)(F)F)c(O)n1 1625030359 QXOGTNJEJRZEEP-NSHDSACASA-N 432.242 4.858 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)N(Cc2ccccc2)c2ccccc21 1634318762 JEQDMXYPCQKHLC-UNMCSNQZSA-N 447.579 4.735 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 1637261403 WNWSWAXNWDVDGW-JKSUJKDBSA-N 429.344 4.706 30 10 IJEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CCCC1 1641105113 AKSJUYSIRGSWAU-UHFFFAOYSA-N 449.551 4.705 30 10 IJEE C=C(C)C(C)(C)C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1642474372 FKQJKXKJRUITPX-UHFFFAOYSA-N 444.620 4.833 30 10 IJEE N#Cc1ccc(CN2CCC(Oc3cccc(Br)c3)CC2)c(OC(F)F)c1 1642678167 GHZVXXNZHAFKCR-UHFFFAOYSA-N 437.284 4.966 30 10 IJEE C/C(=C\C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)CN1CCOCC1 1642973524 UOIRFQPVUYIBHS-FOWTUZBSSA-N 427.957 4.580 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccc(F)c2ccccc12 1650684074 GAIVKYQMDRCYPI-FQEVSTJZSA-N 428.504 4.527 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCN(c3cccc(Br)c3)C2)ccc1OC 1651005823 HAIZOVQWEBMGAA-IBGZPJMESA-N 431.374 4.781 30 10 IJEE C=CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H](Cc1ccccc1)C(=O)OCC 1652206751 PYXQLNIICLSJAM-HSZRJFAPSA-N 425.569 4.861 30 10 IJEE CN(Cc1ccccc1)C1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCCCC1 1656910486 FPTRYCCPIIXNMS-UHFFFAOYSA-N 442.611 4.783 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(I)cc1C)c1ccc(Cl)cc1F 1666309472 YWMXXSHIICAWSV-OAHLLOKOSA-N 442.659 4.888 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)c1ccc(Br)cc1 1667064928 XVDBJZHGWGKLJT-NRFANRHFSA-N 442.357 4.702 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1)c1ccc(F)c(F)c1 1667220576 BHMGZSDAKNSXBC-NRFANRHFSA-N 440.450 4.766 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1668427502 QYFLZZFZNGITAK-UHFFFAOYSA-N 428.577 4.975 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C)c1ccc(Br)cc1 1668475977 SFQVZJGIKZTZAB-KRWDZBQOSA-N 445.313 4.519 30 10 IJEE N#Cc1ccc(CCNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1 1669436114 BWGGGWBNBUZAKS-UHFFFAOYSA-N 428.279 4.812 30 10 IJEE C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)Oc1ccc(Cl)cc1 1670162685 DUHWQPAAKAQJLY-CYBMUJFWSA-N 430.295 4.640 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 1670845988 WAVBJUCPHCCYHG-JKSUJKDBSA-N 436.394 4.788 30 10 IJEE CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)n[nH]1 1671278940 IELSCPZXEYAXRO-GJZGRUSLSA-N 434.548 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC12CCC2 1673096570 DOQZLBKKXYDKDI-PZJWPPBQSA-N 438.572 4.557 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1674020141 DAMLQTIWWBBTQQ-LEWJYISDSA-N 445.991 4.835 30 10 IJEE C=CCC[C@@H](NC(=O)NCC(=O)N1CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 1677587549 KNABQBAULYSAFP-HXUWFJFHSA-N 445.485 4.991 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1677963449 GOXFKJKSYRJDFB-UHFFFAOYSA-N 431.558 4.528 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](C)Oc1cccc(Br)c1)c1ccc(Cl)cc1F 1679589998 UBFPBTHBXDWNDB-SGTLLEGYSA-N 439.712 4.683 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1683051782 SLLWJVSDFNRPLT-YPAWHYETSA-N 427.589 4.810 30 10 IJEE CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 1685894310 HKYRVECEJMOFSV-SXGZJXTBSA-N 430.346 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C(C)C)CC1 1689862890 IWXCZLGBEJPXBG-MRXNPFEDSA-N 431.378 4.514 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1689897966 NMNYIOOXBVOFNS-UGKGYDQZSA-N 447.410 4.701 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCSC1(C)C 1689973910 UZFGKQICFOPVEB-LJQANCHMSA-N 426.630 4.756 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](OC)[C@H](C)CC 1690037486 WPNGGHQBGWEAED-QKNQBKEWSA-N 438.641 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690258343 CQYRPYAUATZKOV-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)c1ccco1 1690308178 DVPVBNATHSVQRA-IBGZPJMESA-N 432.528 4.514 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(OC)C2CC2)CC1 1690384334 NOUOFBRBZNKCLQ-HSZRJFAPSA-N 428.602 4.551 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC[C@@H](C)C2)CC1 1690416994 ABHSAZOECWNITG-PMXSJFBMSA-N 443.636 4.887 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1690518788 VLPZFDVYWXDJHE-DENIHFKCSA-N 437.613 4.721 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(CO)c1 1690586713 SYEUAAHAYMRZGD-SFHVURJKSA-N 434.609 4.850 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccc(Br)o1 1690634773 VHBWITMSTCEKAR-UHFFFAOYSA-N 425.689 4.916 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(Cl)c2C)C1 1690692433 XYXAXEDKWSAUST-GOSISDBHSA-N 444.366 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCCN1CCC(C)CC1 1705477662 QWKREMILMZJZFO-SFTDATJTSA-N 441.595 4.527 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CCC1=CCCCC1 1705502127 CAWNQOHJQBCWSS-QGZVFWFLSA-N 443.389 4.968 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)c1ncc(C)s1 1705503603 ZSYLUOWOSDVPIX-LSDHHAIUSA-N 429.977 4.537 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccccc1F 1705519043 WRKXDSZUGBKZNA-LJQANCHMSA-N 430.531 4.657 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(CCOC)CCCC1 1705556541 RUPJYEVBHXKNHY-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1oc(CCC)nc1C 1705557103 XOTZWHGNMDKZIY-UHFFFAOYSA-N 435.572 4.656 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(C)cc1 1705577216 XRACUEUROIBRSW-HXUWFJFHSA-N 428.605 4.755 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1705605907 GIZKKVLZSURYRC-RZDIXWSQSA-N 442.336 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1noc2c1CCCC2 1705720973 TWIXXUJDVMDITG-WIYYLYMNSA-N 427.593 4.514 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 1705755533 CZVCFWWDZCXKGP-UHFFFAOYSA-N 439.716 4.752 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCOCC)CC1 1705777468 BKCQQSKEASCFTG-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c(CC)noc2C)CC1 1705784865 MIPODBYRQXJHRV-UHFFFAOYSA-N 435.572 4.783 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CC1 1705785539 MBUKMJUPPLPIDP-PCCBWWKXSA-N 441.620 4.808 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705799515 YVTYJLLSILGBCC-UHFFFAOYSA-N 430.906 4.792 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)C(C)(C)C1 1705802021 ZGPZGMBTULUGEQ-GOSISDBHSA-N 430.618 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705802615 PZKNSMBDLQWEND-NVQXNPDNSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1705808363 KQRNTTITOSOBID-DEOSSOPVSA-N 437.613 4.742 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705813724 RJAAGEUPUXUSNN-SUMWQHHRSA-N 444.885 4.729 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1705829344 NXHVUMVNYIDLIE-NRFANRHFSA-N 430.980 4.760 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCN1CCCC[C@H]1CC 1705839901 SDHHDCGXFRLACM-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cscc1C 1705877191 YBMCEOLTMHIKAW-IBGZPJMESA-N 443.617 4.947 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2cc(C)nc21 1705880205 YIIFBSIMUAGTNM-HXUWFJFHSA-N 436.604 4.777 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(F)cc2C(F)(F)F)C1 1705917845 ZVOGZYDRXZMPLK-MRXNPFEDSA-N 426.458 4.563 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCC(C)C)cc2)C1 1705922584 OYIPFSKOLSQCOA-QHCPKHFHSA-N 447.583 4.513 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCCCC1 1706461604 GRHHUKGYJIOBQP-OAQYLSRUSA-N 430.641 4.550 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)CCO1 1707975582 AXWMQDNUUDOINK-MJGOQNOKSA-N 427.980 4.934 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](OC)C(C)(C)C 1722304565 ZPCSDRDPCLWCFT-KDOFPFPSSA-N 439.387 4.683 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@H](F)C1 1722379974 SNFMNWXUCMAMLC-ZBFHGGJFSA-N 449.755 4.572 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H]1CCO[C@@H](C)C1 1722392962 OZTXIZVXTFZVQS-ROUUACIJSA-N 445.394 4.920 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722403713 BJIQYHYSIQVIGH-AZUAARDMSA-N 445.405 4.537 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H](C)COC 1722473795 DFSVCGIRDJXOEW-HOYKHHGWSA-N 445.007 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(N(CC)Cc2ccc(C(=O)N(C)C)cc2)nnc1C(C)(C)C 1722593648 XVLRHLXVHIMQDM-UHFFFAOYSA-N 425.621 4.906 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)c1ccccc1 1722596452 JGHRIYCKFJMNFG-DEOSSOPVSA-N 449.643 4.819 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2)C1 1722610187 MQVITAGYSBKBCY-QGZVFWFLSA-N 426.362 4.996 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1722648144 KDYCYSYGPWGUFP-KDURUIRLSA-N 425.596 4.996 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC(C)(C)SC 1722652569 ISSPZBPEMRRLHC-UHFFFAOYSA-N 437.613 4.991 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722660735 FHPRHEIHDDYDLX-WKCHPHFGSA-N 449.574 4.799 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCc2ccc(Cl)nc2C1 1722684289 GVHVUNSCXOLGCR-UHFFFAOYSA-N 448.727 4.644 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCCC2)C1 1723351858 GBWAOHCKBCMXON-VWNXMTODSA-N 434.632 4.810 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H]1CCC2(CCCCC2)O1 1740630946 GTBXYFYJZWTGRM-ZEQRLZLVSA-N 430.596 4.775 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1c(C)noc1C 1740677527 MJXSIUTXJGENBY-QGZVFWFLSA-N 444.514 4.528 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC=C(C)CC1 1740755328 JRGOEWOEGFHTLA-UWJYYQICSA-N 428.964 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1740848303 HLWGHCUTORNSCS-UHFFFAOYSA-N 439.007 5.000 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(CCOC2)C1 1740857750 AWEYDAWFXVQAIW-NRFANRHFSA-N 431.378 4.681 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740864369 MABKUJYDUNYGPS-XZOQPEGZSA-N 429.653 4.968 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCc2ccc(F)cc2C1)C(C)C 1740925734 DIOBLALCURCQMF-XMMPIXPASA-N 437.607 4.946 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1748709472 WSSOCKUIDNTIHG-RXVVDRJESA-N 428.367 4.640 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@H]1CC=CCC1 1749110387 LRVWKASQWMCNLA-INIZCTEOSA-N 435.341 4.697 30 10 IJEE C=C(Cn1c(Cc2ccccn2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1)c1ccccc1 1749246159 HIWLCKWDSGTTLQ-RDPSFJRHSA-N 431.584 4.619 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nc(C(C)C)cs2)CC1 1749311639 VFUZHMGVJUKHRO-UHFFFAOYSA-N 439.585 4.650 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C(CC)CC)N(C)C)CC1 1749347649 RKOMQUJOTSLEON-XPWALMASSA-N 445.696 4.966 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1749395353 HJHHQLGUPAGGJV-NRFANRHFSA-N 425.964 4.871 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(C)(C)O 1749537193 BQEDYSGYHJKCSI-NHCUHLMSSA-N 426.605 4.550 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@@H]1C 1749541757 TVLINDVXAHXDIV-KBXCAEBGSA-N 444.352 4.959 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cccc(C)n1 1749561804 WYKBWDDZXKHMFY-UHFFFAOYSA-N 441.377 4.550 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(C)(F)F)c2)C1 1749717673 OJIMUAULTQEZMN-FQEVSTJZSA-N 444.551 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCN1C1CC1 1760122690 QGTNROHJPPVUMC-GGAORHGYSA-N 449.643 4.764 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760133620 KDZIQNRRRDNJOD-LJQANCHMSA-N 444.526 4.637 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760145616 ROQRMULORQHIAU-FGZHOGPDSA-N 446.599 4.566 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cn2ccc(C)cc2n1 1760228983 ZMABKZHOTZUGJK-UHFFFAOYSA-N 426.568 4.707 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1760235960 CJVGOGVIDJWNCJ-UHFFFAOYSA-N 431.540 4.639 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)(COC)CC1 1760317685 JCNOFSZNEIKPAO-DHIUTWEWSA-N 438.616 4.742 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CC(C)C 1760334384 JRCWSOBBWHNMDU-NFBKMPQASA-N 434.588 4.594 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC)(CC)C1 1760428501 XSYQKFHLZCIAEQ-UHFFFAOYSA-N 437.636 4.825 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccnc1)C(C)C 1760480853 HIIMWMWEFHFDAZ-DNQXCXABSA-N 431.584 4.809 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCc1csc(C)n1 1760499505 ZZTHLSRMWSKYTA-UHFFFAOYSA-N 444.608 4.891 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCSC1 1761518081 DAOONBJXSFQUFR-MJGOQNOKSA-N 443.592 4.830 30 10 IJEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC2CC(OC(C)(C)C)C2)c1 1768775359 GIGJOMCOXURSGH-XPQZIERPSA-N 425.577 4.533 30 10 IJEE CSc1ccc(F)cc1Cn1c(C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1771422135 FFXKQAHZGFKYGF-UHFFFAOYSA-N 442.404 4.817 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1772555362 IDLXMNPPQIGCQD-CLOONOSVSA-N 442.579 4.664 30 10 IJEE Cc1cccc(N=C2S/C(=C3/C(=O)Nc4ccc(F)cc43)C(=O)N2C2CCCCC2)n1 1772737450 OIYAYKTXFXMJAC-QYGNLKCASA-N 436.512 4.788 30 10 IJEE Cc1cccc(C[C@H]2SC(=NN=Cc3ccccc3OCc3ccccc3)NC2=O)c1 1772741960 PMDICVBNRIVVNA-HSZRJFAPSA-N 429.545 4.738 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)N[C@](C)(C#N)c1ccc(Br)cc1 1858042718 WCIHIFAHYLGHRJ-QGZVFWFLSA-N 428.113 4.933 30 10 IJEE CCc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4cccc(C#N)c4)C3)n2)cc1 1860665030 GSYYNNSTDGCDCL-NRFANRHFSA-N 444.560 4.735 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862385639 UOLRJNLUZMFQSX-YPMLDQLKSA-N 436.291 4.781 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862445165 PYIVTDBNOPNSMS-HXUWFJFHSA-N 431.891 4.873 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862453607 DQCOEPUYCCDBAO-HXUWFJFHSA-N 429.900 4.734 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478730 PGYGXUURZYJAAU-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(CC)cc1 1862524532 HOLPGTKTVNZWHK-IBGZPJMESA-N 428.326 5.000 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 1862547120 NBWCFBCPRYEKME-HSZRJFAPSA-N 446.503 4.995 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2cc[nH]c2c1 1862583771 JRLAYROHHAUKCX-LJQANCHMSA-N 445.302 4.699 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@@H](C)CC)c1 1862631164 LFGRFURKSGLJSH-OYHNWAKOSA-N 437.492 4.581 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccccc2F)cc1 1862662407 JPORZIAYWSUMMX-QHCPKHFHSA-N 438.543 4.869 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cc(OC)c(O)c(OC)c1 1862721946 TXZLIJKXXHVGHE-JOCHJYFZSA-N 447.487 4.551 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccccc2F)C1=O 1863648266 UQPZCCUJLWFAMM-UHFFFAOYSA-N 443.607 4.732 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(Cl)c(Cl)c2)cc1=O 1871006418 FDBKNHSOWQUENQ-UHFFFAOYSA-N 431.294 4.967 30 10 IJEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871046048 MDXQRKLJXDTPQS-UHFFFAOYSA-N 428.891 4.897 30 10 IJEE Cc1cc(OC(=O)c2cccc(Br)c2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871364194 KUSYWIRLACGEIF-OCKHKDLRSA-N 436.261 4.988 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 1871374258 APBWVBVSDRYECE-QRVIBDJDSA-N 445.427 4.758 30 10 IJEE Cc1c(OC(=O)CCc2cccs2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871392083 OFTQCDOSSBDSAX-MTJSOVHGSA-N 434.469 4.940 30 10 IJEE CCCCN(CCO)Cc1c(O)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871397259 UYNRBKDACJXBSW-NDENLUEZSA-N 436.335 4.910 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871941332 XFURNJJAHYCPAT-GFCCVEGCSA-N 447.771 4.851 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(=O)(=O)C1CC1 1871947842 LGMOQORCVZNJEN-IBGZPJMESA-N 439.364 4.653 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(C)(=O)=O 1872157990 RYTJHEWMZPNNEM-JOCHJYFZSA-N 429.586 4.765 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872571549 JNEFRIXDQFDLLG-JTSKRJEESA-N 432.561 4.673 30 10 IJEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1 1872761201 IHMZNVANJBHMCA-KRWDZBQOSA-N 436.449 4.987 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCC)=C(c2cccc(Br)c2)C1=O 1873228392 NWIHZXFOTYMLHC-UHFFFAOYSA-N 441.325 4.534 30 10 IJEE CCOc1cc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SC)ccc1O 1874212338 IDIZEVCMONXFKZ-OEAKJJBVSA-N 446.960 4.652 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874349486 OAWYZVDTQDARIM-PCLIKHOPSA-N 430.533 4.758 30 10 IJEE CC(C)(C)c1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCCCO)cc1 1874381292 LGPBLTATULEFSA-PCLIKHOPSA-N 426.561 4.662 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2[C@H](C)c2ccccc2)cc1 1874401813 WSNWPKKWUINZPN-RUDKWAFVSA-N 436.581 4.912 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(O)cc1)Nc1ccccc1 1874405153 JNJOPAXMRKTFKC-PCLIKHOPSA-N 449.580 4.720 30 10 IJEE Cc1cccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)(C)C)c1 1874485385 RLZWVLUEINCSTA-ZMOGYAJESA-N 432.553 4.707 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874509578 JULHLBMJFURATF-FOKLQQMPSA-N 434.924 4.912 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2c[nH]c3ccccc23)c1 1874518458 UMJVZLUKRPAWOW-LGJNPRDNSA-N 444.564 4.867 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NCc3ccccc3)nnc2C2CC2)cc1 1874523405 OTZSJIQBUUHULH-CVKSISIWSA-N 433.581 4.570 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2/N=C/c2c(F)cccc2Cl)c1 1874530539 OKHQENWQMPVEPZ-AUEPDCJTSA-N 431.924 4.609 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC 1874567376 UIRCAOXSVSTBTG-WYMPLXKRSA-N 447.004 4.879 30 10 IJEE CCCOC(=O)COc1cc(/C=C/C(=O)c2ccc(OCC)cc2OCC)ccc1OC 1874600474 OLZPVWHNHCQHGY-XYOKQWHBSA-N 442.508 4.721 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 1874661204 WUHLCUMRCAGBOD-VWLOTQADSA-N 449.595 4.751 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)=O 1875094194 GULHWKSMQKATTD-BQYQJAHWSA-N 434.242 4.577 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1OC 1875116401 ZOIYNYBNUUUTHE-NTUHNPAUSA-N 433.416 4.727 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)cc2)c(OC)cc1Cl 1875172548 AFPISOYZCDBBGB-RMKNXTFCSA-N 438.867 4.571 30 10 IJEE CC(C)N(CC#CCNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(C)C 1891437603 GUNLYHYTFXLQRX-UHFFFAOYSA-N 433.571 4.610 30 10 IJEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 1945793906 DWFVGWVAMYEQPS-APWZRJJASA-N 433.549 4.880 30 10 IJEE C=C(COC(C)C)[C@@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947485768 URKCPHSSJZTFGJ-XZOQPEGZSA-N 434.621 4.836 30 10 IJEE C[C@@]1(Nc2cc(Br)ccc2C#N)CCCN(C(=O)OCc2ccccc2)C1 1998958035 OIRZRGPBDAIOGR-OAQYLSRUSA-N 428.330 4.924 30 10 IJEE N#Cc1cc(Br)ccc1N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 1998964470 SZSNVHXEFZYDGT-INIZCTEOSA-N 442.235 4.590 30 10 IJEE CCCC#CC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2024369704 IMBVXEXYHPXJOV-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC2 2040473730 WDIYJRJEPZMQAH-NYYVNYEXSA-N 448.568 4.901 30 10 IJEE C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4C(=O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2054623571 FYASCXLQDJNFAF-WRQKPSOPSA-N 428.613 4.893 30 10 IJEE C[C@@H](c1ccc(C2CC2)cc1)n1nc(C(F)(F)F)c(C#N)c1I 2079079139 QAWLSJXZCYNCLH-VIFPVBQESA-N 431.199 4.865 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)cc(C)cc1Br 2116838285 GABZKHSBKRMSFE-SJLPKXTDSA-N 427.358 4.854 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c2nsnc12 2137387086 NVYFIYBLBIMLIO-KGLIPLIRSA-N 441.395 4.574 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2163701230 ZORYYARCIJETNS-ROUUACIJSA-N 428.349 4.808 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(c2cc(Br)cc(F)c2C#N)CC(F)(F)C1 2174814353 HCUGWYWDTWFIJY-UHFFFAOYSA-N 448.283 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3cc(Br)cc(F)c3C#N)C(C)(C)[C@H]21 2175901834 RILWPDBXTKXCLD-DQYPLSBCSA-N 438.341 4.906 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181053870 QCMAXVORVGNJKJ-GJZGRUSLSA-N 436.350 4.590 30 10 IJEE C=C([C@@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221673236 NFUTYZHWTNTMHM-IAGOWNOFSA-N 428.443 4.679 30 10 IJEE C=C([C@@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221675205 WAYKCDIERIGBME-DLBZAZTESA-N 428.443 4.679 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2235721676 BDDDULXUTNQZQL-MOPGFXCFSA-N 435.406 4.958 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](C#Cc2ccccc2Br)NCC)C1 2235727812 ZGGHTRHRAJKVKP-LJQANCHMSA-N 433.390 4.640 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CC[C@@H](C)C1 2235728463 RDFFIMSLSOXSRB-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)([C@@H](O)CC#CC2CCCC2)C1 2251518961 HZBLJAZPDSIHGS-JYFHCDHNSA-N 427.585 4.775 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2255856055 WAZOXFSICNKSMK-XRXFAXGQSA-N 427.394 4.701 30 10 IJEE CC1(C)OB(c2ccc(C(=O)NCc3cccc(OCc4ccccc4)c3)s2)OC1(C)C 2267558347 ASTRLMGBFSXMNO-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE C[C@@](O)(C(=O)C1=CCC(F)(F)CC1)c1cc(Br)c(Br)s1 2281186799 TVHGDCQLPVWQBE-LBPRGKRZSA-N 430.108 4.795 30 10 IJEE C=CC[C@@]1(COc2oc(C(=O)O)cc2Br)CCCCN1C(=O)OC(C)(C)C 2287854482 KURLJEWUQNJKDU-IBGZPJMESA-N 444.322 4.855 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296216110 HJXMXUKWXAWFTH-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CC[C@@]1([C@@H](C#Cc2cccc(Br)c2)NC)CCCN(C(=O)OC(C)(C)C)C1 2296217023 PXNYYROOQOVHTQ-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]2(O)C#Cc1cccc(Br)c1 2296225392 UPXRUEVMTWEBNY-JOCHJYFZSA-N 428.326 4.982 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C 2296278452 DRKSZOGUJNPDCB-SIKLNZKXSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@@H](O)C#Cc3ccc(Br)cc3)(CC1)CC2 2296281439 LBMFYAIDSUNEQV-XTWGIRIWSA-N 434.374 4.779 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296299257 SSIUGKAKUPOHLL-AZUAARDMSA-N 435.406 4.816 30 10 IJEE COc1cccc([C@H]2C(=C(O)c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1 2296602877 CNMNCLHTRJQDLH-QHCPKHFHSA-N 440.455 4.771 30 10 IJEE C=CCc1ccc(OCCOc2ccc(C=C3SC(=S)N(C)C3=O)cc2)c(OC)c1 2297335308 OQVZRNFTFXUXNX-UHFFFAOYSA-N 441.574 4.713 30 10 IJEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C[C@H]1CC1(Br)Br 2300300844 QQHZACGYCRCHKS-GFCCVEGCSA-N 449.036 4.535 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1N=Cc1ccccc1Cl 2320941035 UVEFXRKCODKWPA-UHFFFAOYSA-N 427.961 4.669 30 10 IJEE O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(CCCCN2CCCC2)CO1 2322115083 IZPXZTWKSYFHOI-UHFFFAOYSA-N 438.955 4.984 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)c(OC)c1OC 2322648533 LIXGUBYPJYZROQ-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE Cc1c(OC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccncc1)C2=O 2323437289 PLGHYSOYOWFVDU-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2324825828 BWYZLJKKOXOVMK-MRXNPFEDSA-N 431.444 4.813 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)o1 2325402522 SIJDJJXTPVRERZ-UHFFFAOYSA-N 448.427 4.689 30 10 IJEE O=C(C=Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2325571495 HTPGNXLYSUGAKN-UHFFFAOYSA-N 449.384 4.702 30 10 IJEE CC(C)Oc1cccc(C=CC(=O)NC2CCC(OC(=O)c3cccc(C#N)c3)CC2)c1 2325802817 UHBBYKVONRUJBK-UHFFFAOYSA-N 432.520 4.643 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1N=Cc1ccccc1C 2325893223 QNJWBUNIBREUDL-UHFFFAOYSA-N 436.581 4.939 30 10 IJEE CCOc1c(C=Nn2c(COc3ccc(Cl)cc3)nnc2SC)cccc1OC 2327506823 RQGBOBBYWWPXMU-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccn2)cc1 2328572613 RICKFRAHBADTGE-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cccnc1 2330980350 WTQURBVUKVBVIT-UHFFFAOYSA-N 429.472 4.943 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)N(CC)CC)nnc2C2CCCC2)c1 2331017925 UIKQGNGJRGYJJS-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OCC)cc2)cc1[N+](=O)[O-] 2331205122 GZVWDTAIAJUWMP-UHFFFAOYSA-N 427.453 4.994 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)c1 2331382213 KWOJSFCALXXKKL-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCCSc1nnc(COC)n1N=Cc1cccc(OC)c1OCc1cccc(C)c1 2331592465 MVLJNYNAFIWMAT-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccccc2Cl)n(-c2ccc(OC)cc2)n1 2331661869 DKBQRFKUQGKNOS-UHFFFAOYSA-N 449.942 4.760 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1cccc(F)c1 2331666011 WAQVLWHFVOLTGE-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)c1C 2331725095 POGAVINMSDQJAO-UHFFFAOYSA-N 444.564 4.867 30 10 IJEE CC[C@@H](NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338520051 VBHZFRSHGAGSFG-WIOPSUGQSA-N 434.433 4.549 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339541025 FMJNALMYDBFSGK-IPMKNSEASA-N 441.381 4.536 30 10 IJEE Cc1cc(CNc2ccccc2I)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649166 COBAUQSMIQKMLX-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE Cc1cnc(N(C)[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)c1 2357063514 LIHCXHPMGJLORM-CDNNERCOSA-N 448.416 4.509 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2360197189 HHGLNSITAPFOSK-RLLQIKCJSA-N 435.406 4.720 30 10 IJEE Cc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 3041317 GHIAACWONQLAJN-QLYXXIJNSA-N 434.952 4.886 30 10 IJEE COc1ccc(CN/C(=N/C(=O)Nc2ccc(Cl)cc2)Nc2nc(C)cc(C)n2)cc1 14156701 CCYIOEQUUPFJET-UHFFFAOYSA-N 438.919 4.545 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(OC)c(O)c2)cc1 21660462 MFZFMBLQFXJHDU-MWTRTKDXSA-N 432.476 4.664 30 10 IJEE Cc1cccc(N/C(=N\C(=O)c2cccc(Cl)c2)NCCc2c(C)nn(C)c2C)c1C 32973696 UZEBMKOWTUYPEB-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE C=CCOc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1 64656807 ZWJDVZHGTUFOSA-LJQANCHMSA-N 439.558 4.928 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(-n3cccc3)cc2)c(C(=O)OCC)c1C 96512301 DNZXGOPJKWPBQX-UHFFFAOYSA-N 438.505 4.619 30 10 IJEE COc1cc(/C=N\n2c(SC)nnc2C(C)C)cc(Br)c1OC(C)C 169915924 ZNSQRKFPJGWQHW-OCKHKDLRSA-N 427.368 4.564 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1F 170071899 PUZFOQXJEUYDMX-JOCHJYFZSA-N 436.483 4.700 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccco2)c1 170095697 NTWPRRPXYPJTSE-HXUWFJFHSA-N 436.851 4.674 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccccc2OC)cc1Cl 170126006 LTOIWILIUVZEDM-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(O)c(OCC)c1 170148772 UACIOVMSLBOGIV-QFIPXVFZSA-N 434.492 4.651 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)c1 170197872 PGQXLQOMENEPTE-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccncc1)c1cccc(Cl)c1 170199627 BNIJIOQSQVDTBS-IBGZPJMESA-N 426.806 4.796 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170239656 LFQNJKILWBOUDC-HSZRJFAPSA-N 429.447 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170247016 SRMIAJBGZDSCEJ-QFIPXVFZSA-N 449.503 4.991 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c[nH]c2ccccc12 170254592 ARZLNXCAWLBQQF-DEOSSOPVSA-N 440.499 4.936 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccccc3C)oc12 170273864 BXLRWLFGGSIQPS-VGOFRKELSA-N 447.487 4.507 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3ccco3)oc12 170282464 BNTWNEYYGPNOKP-FQEVSTJZSA-N 433.391 4.956 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccc(C)o1 170300905 UAHBWEKYWLBVPD-HXUWFJFHSA-N 439.851 4.739 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OC(C)=O)c1 170321425 LSSPNZPYIIVVEE-HSZRJFAPSA-N 429.472 4.753 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccccn1)c1ccccc1 170350539 XEYZSZXLWCBOCF-IBGZPJMESA-N 440.377 4.763 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)c2cc3cc(Br)ccc3o2)CC1 438609022 HLFOFQGHPNLGGT-UHFFFAOYSA-N 440.297 4.582 30 10 IJEE CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cn(CCCC#N)c2ccccc12 444416062 WROWKNPNYLKABK-HHHXNRCGSA-N 443.547 4.726 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460572351 JALIBYMPHVUZGY-HHHXNRCGSA-N 439.563 4.600 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 460780842 SEHYCTDNVRURRP-XUZZJYLKSA-N 430.600 4.502 30 10 IJEE C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 508503560 HBNRJAGEKYZBGZ-KRWDZBQOSA-N 448.477 4.843 30 10 IJEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 508888351 NHHCCQMGLFBVNN-SFHVURJKSA-N 441.576 4.526 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCS(=O)(=O)CCCC(C)(C)C#N 513635564 OZYIYCQJPQHODL-UHFFFAOYSA-N 443.407 4.529 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 522185382 NNDIZPPUYCWADP-UHFFFAOYSA-N 436.443 4.819 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(C)c2)c1OC 526523116 UPGGCGJQSBYZMS-HSZRJFAPSA-N 426.472 4.941 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccccc1OCC 526830809 WXEGMBLKJGPHLG-UCQKPKSFSA-N 442.541 4.574 30 10 IJEE N#CCC1CCN(C(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 548631711 MGBDPPKNZXDVBR-UHFFFAOYSA-N 431.414 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F 567481503 YQPVFVMSWCHODJ-NEWSRXKRSA-N 447.929 4.546 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccccc2)C1 619818496 RFJQHDLTWQEZSW-NRFANRHFSA-N 427.936 4.714 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 698859515 HFPXARUOTBDDPS-IECBHUPTSA-N 431.577 4.709 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)Cc1ccc(Cl)cc1Br 735353928 JBHRRHYWSZYOBP-UHFFFAOYSA-N 429.097 4.944 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1OC 751144092 GYMWVRWPFLESPS-WZUFQYTHSA-N 427.928 4.749 30 10 IJEE N#C[C@H](C(=O)[C@H]1CCCN1c1ncnc2ccccc12)c1nc2cc(Cl)ccc2s1 783068990 BVMFRPFPPAEHFC-CRAIPNDOSA-N 433.924 4.738 30 10 IJEE COC(=O)c1ccc(COc2ccccc2/C=C\C(=O)c2ccc3nc(O)oc3c2)cc1 794717133 YZODWXCVLQZDCG-QBFSEMIESA-N 429.428 4.795 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCC[C@@H]1CC(C)C 812186683 YSXDJGIRUSXYKV-OAQYLSRUSA-N 425.577 4.686 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cc(Cl)c3ccccc23)ccc1F 1127880793 TYVNQVSXDDLHPA-UHFFFAOYSA-N 432.904 4.657 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 1135809132 HMMXFNDKZYIJMI-FQEVSTJZSA-N 443.519 4.879 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)CNC(=O)NC2CCCCC2)cc1 1142401337 BVZBXMCLTRKKDU-UHFFFAOYSA-N 442.972 4.933 30 10 IJEE C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 1161266533 GDGJZRSRRJIYHJ-CQSZACIVSA-N 439.364 4.634 30 10 IJEE COc1ccc2c(c1)CN(C[C@H](O)COc1ccc(CC#N)cc1)[C@@H](C1CCCCC1)C2 1167666923 BZPDDAZSRYCICV-RPLLCQBOSA-N 434.580 4.508 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 1194497174 HHHKYEDYXKHCCQ-UXHICEINSA-N 431.330 4.503 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)c(F)c1)c1ccc(Br)cc1 1215282258 IMUAKDSWYBYUAG-OAHLLOKOSA-N 426.083 4.847 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(F)c(F)c1 1227393988 IIXPKSLRQOHYQE-FOIQADDNSA-N 437.437 4.762 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC 1253519100 HVWHRMUPNDEITN-LJQANCHMSA-N 431.577 4.601 30 10 IJEE C=CCc1cc(CNC(=O)c2nccc3c(Br)cccc23)cc(OC)c1OC 1264831429 YREYMSFETNRNNN-UHFFFAOYSA-N 441.325 4.673 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 1265224264 YXHDXWAZLUXTAK-UHFFFAOYSA-N 431.879 4.728 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C 1265659120 SGHVZTJAQJITOV-UNIVCBNLSA-N 441.616 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286284062 WRMDKCWKKLLJCH-FGTMMUONSA-N 431.987 4.564 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1286316955 NFXFUZBWCVFLCT-TZIWHRDSSA-N 440.563 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCN(C(C)C)C(C)C 1286527520 LPMBIBULGBCBEB-XMMPIXPASA-N 444.023 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1286553007 CBPGDQNUYLPMRA-UTKZUKDTSA-N 434.506 4.971 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1286621339 CADFSRWZDFUPLP-SJLPKXTDSA-N 434.943 4.563 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)[C@@H](C)CC)CC1 1286664555 YYDUWWQURDGJFG-SFHVURJKSA-N 432.012 4.643 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286686015 ZZTAGVAIUIXCJL-PXNSSMCTSA-N 444.421 4.737 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1286690528 LMJMJYRDOOWYFY-OALUTQOASA-N 427.618 4.785 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCSCC1 1286694448 TUOVPZPOMPNWIQ-UHFFFAOYSA-N 427.799 4.880 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1286696345 AYCYNNJIBJCGJJ-FQEVSTJZSA-N 449.603 4.609 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2ccco2)C1 1286836273 IXEQAWNNKKTQPE-NLWGTHIKSA-N 430.618 4.703 30 10 IJEE COC(=O)[C@@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 1288525161 HQWUQELVIGURTQ-GJZGRUSLSA-N 437.311 4.765 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)C(C)C 1292957660 NKJHBDMISGLRLZ-FQEVSTJZSA-N 435.012 4.688 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(OCC)CCCC1 1300516943 VYIKZFHSKCJDGJ-UHFFFAOYSA-N 436.625 4.698 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)Cc1cc(Br)cs1 1300763445 WEHQSIHQIGWVII-UHFFFAOYSA-N 439.448 4.763 30 10 IJEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)CCC 1300849703 SGFFGHRLJNGEKJ-KBXCAEBGSA-N 435.366 4.572 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 1301002955 BGPRHAGALOZYDE-GOSISDBHSA-N 449.624 4.965 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCOC(C)C)CC1 1301070582 PQUBEQDDHBYGKV-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)(C)C)CC1 1301075983 WMKRVPXVGXAUFS-UHFFFAOYSA-N 436.387 4.713 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C(C)C)N2CCCC2)CC1 1301092171 SAECHBZMWMETMW-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1301119439 IXXKKLBRYCYBDQ-HSZRJFAPSA-N 432.616 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1301149546 AGVGYQLGPWJPKF-GOSISDBHSA-N 437.617 4.795 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1301214933 KVTZVZBBXNEDNJ-FQEVSTJZSA-N 427.911 4.677 30 10 IJEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)c1cccs1 1301246657 VNJXNTGTMWVYKI-INIZCTEOSA-N 426.542 4.525 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301600569 CXMZXBKLELCSGS-LJQANCHMSA-N 433.021 4.649 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1301604596 WCBLMNQYARMXDX-QFIPXVFZSA-N 439.673 4.957 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1301621144 RLWAHFMSIJBFLD-RHSMWYFYSA-N 444.498 4.550 30 10 IJEE N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCC[C@H](O)C2)c1 1302982215 GORRPFILWDNDAJ-ICSRJNTNSA-N 447.505 4.537 30 10 IJEE C#CCN(C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656053 PZCNJESOMRBVCC-SJORKVTESA-N 430.511 4.607 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)C1 1310015267 JMAPRCXSMSCANR-GOSISDBHSA-N 427.932 4.750 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(OCCc3ccccc3)nc2)c1 1310301922 COUWBHACHOJDGW-JOCHJYFZSA-N 430.508 4.706 30 10 IJEE Cc1nnc([C@H](C)NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)o1 1310367414 GJWCHWKIMCQPBW-NSHDSACASA-N 431.374 4.944 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(I)cc2Br)C1 1310388985 WOITUZIUDLHXKA-LLVKDONJSA-N 449.130 4.874 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 1312853492 UAYGEWSCTCENIQ-QFIPXVFZSA-N 444.417 4.710 30 10 IJEE COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1315956679 GKIWUVDAOMDICD-QHCPKHFHSA-N 445.995 4.800 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 1325269818 WHBQPSZEHFLTBQ-VWLOTQADSA-N 441.579 4.706 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1cccnc1Oc1cccc(F)c1 1350420309 ACPYCIIKHZGNGQ-UHFFFAOYSA-N 426.245 4.577 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2ccc(C(=O)OC)cc2Cl)s1 1351254204 AHOGJFYVBONGKU-UHFFFAOYSA-N 432.350 4.884 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1358921777 IUVINLJKBKYADK-FUHWJXTLSA-N 438.373 4.832 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1scnc1C 1358988427 OHWZODKVKDPVBS-UHFFFAOYSA-N 431.609 4.713 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1Cc1cccs1 1359017395 DACDOOQHWWIFPI-UHFFFAOYSA-N 437.569 4.523 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(C)(C)C)C1 1359084853 UQVDTTQXOLJKPC-AWEZNQCLSA-N 439.348 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)Cc1ccsc1 1359102812 GAFRTOFXLBUQSR-NZQKXSOJSA-N 438.597 4.579 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1nccnc1C 1359107731 UCFVWXVAACMETA-OAQYLSRUSA-N 434.588 4.778 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1359123155 PKJMPAWTIJMUPM-UHFFFAOYSA-N 449.411 4.535 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359127778 ABEVSQVCJVOKIZ-HZPDHXFCSA-N 449.368 4.674 30 10 IJEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1359224853 FFDNGZZAQDPHPM-GOSISDBHSA-N 440.617 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCOC1 1359267558 KPYZHAXDMOJZGF-QFIPXVFZSA-N 431.584 4.958 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)c1ncc(C)s1 1359278833 IQJSPQLTLVFGGJ-INIZCTEOSA-N 437.569 4.899 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCC(F)(F)F)C1 1359315904 DNMAYVXLBMNEJY-HNNXBMFYSA-N 444.885 4.731 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCC2(F)F)C1 1359315930 FFADROOEQWAFRN-DLBZAZTESA-N 437.922 4.600 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(Cl)cc2OC)C1 1359324153 DSUZIBYKVWWVEX-HXUWFJFHSA-N 430.980 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCCC2(F)F)C1 1359325914 OXJAFURISVBSHU-CTNGQTDRSA-N 446.542 4.772 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359345605 KTRVMVNFCDRRPS-SFTDATJTSA-N 442.629 4.541 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(-c2ccc(Cl)cc2)nn1 1360644392 ZVEZTSSKBOBRRP-UHFFFAOYSA-N 449.711 4.651 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(Cl)s2)c1 1361144122 CREQWIRKPPQZPZ-INIZCTEOSA-N 429.977 4.976 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H]2CCCCO2)c1 1361155779 GHQPADFRCNLNLS-SQJMNOBHSA-N 437.588 4.563 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(Cl)c2Br)CCCN1C(=O)OC(C)(C)C 1436156383 RNWUAXQZUMWUKT-IBGZPJMESA-N 441.753 4.834 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1 1436303775 XZCPHUZKBMWAPH-UHFFFAOYSA-N 442.519 4.831 30 10 IJEE C#CC[C@]1(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)CCCN1C(=O)OC(C)(C)C 1438341111 BSXKIJZAIZRHPY-KAYWLYCHSA-N 436.596 4.865 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1nccs1 1443407379 MBJYTKDPPDNSJZ-QFIPXVFZSA-N 447.560 4.979 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCC1 1443586935 JNHDRFCWACLWBD-XMMPIXPASA-N 443.547 4.812 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 1445028866 KYSCNQNXCHJOFC-UHFFFAOYSA-N 435.238 4.964 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4ccccc4Cl)c3CC)n[nH]2)c1C 1448921629 HEULVWIXESWJGS-UHFFFAOYSA-N 449.946 4.730 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OCc3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1456137819 MZKZWMKWTDZUAW-RUZDIDTESA-N 437.540 4.945 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(I)c(Cl)c2)cc1 1463166975 KLEHXFZAMLMVHR-UHFFFAOYSA-N 427.669 4.691 30 10 IJEE C=CCc1cc(C(=O)N2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)cc(OC)c1OC 1463489032 DKVTXVQKWYKNMZ-FQEVSTJZSA-N 446.588 4.684 30 10 IJEE C=C(CC)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 1469004154 UQTBWSDQLCNNNC-UHFFFAOYSA-N 427.353 4.799 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2ccc(OCC)cc2)c2cccc(Cl)c2)CC1 1469480824 ZRQFEYMKPXDFAY-JOCHJYFZSA-N 428.960 4.941 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](O)c2cc(C)cc(C)c2)cc1OCC 1474123964 PDKRABYFZLPCPD-FQEVSTJZSA-N 434.374 4.853 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(C)sc(C)c1Br)c1ccc(Cl)cc1F 1475285620 JGDRLXFFHULNKP-CYBMUJFWSA-N 436.755 4.573 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cccc(I)c1)c1ccccc1 1475627129 BSIKLRGKBVSQBL-SFHVURJKSA-N 441.334 4.667 30 10 IJEE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1cccc(CC#N)c1 1476609958 BGRAEHHLJJWMEB-XZOQPEGZSA-N 434.540 4.796 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCCN1C1CCCCC1 1476728756 KZCHNJQTVWXUMW-GOSISDBHSA-N 436.394 4.933 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(Cl)c1 1477146323 DMMMLXWSJUIVCS-NRFANRHFSA-N 446.378 4.948 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 1478710760 IRFVAGPGZPBKGH-VQTJNVASSA-N 433.568 4.820 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCCC2=O)CC1 1493467787 GYDVTBOXPNIKEQ-UHFFFAOYSA-N 448.615 4.624 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)OC)s1 1498155576 BXSJJFGSORKJFO-UHFFFAOYSA-N 438.601 4.677 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)CC=C 1507522825 GDOBWKXXCUFGAA-HNNXBMFYSA-N 431.378 4.776 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@H]1OC 1507600901 LGEGNOUQMIHSHA-NLWGTHIKSA-N 430.980 4.573 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(CCOC)CCCC1 1507681049 OLBUFIDCPYIERE-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)c1nccs1 1507761473 HREWFXFUMAFOQN-IVZQSRNASA-N 441.988 4.859 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC=C(C(F)(F)F)CC1 1507799300 IZWWOMWEYPESDO-OXJNMPFZSA-N 448.489 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(c2cccc(F)c2)CC1 1507813340 YEFDIYBMLDVIFY-RUZDIDTESA-N 442.579 4.592 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2c(CC)noc2C)CC1 1507889917 ZXBUAELKCXPLPI-UHFFFAOYSA-N 427.936 4.574 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(C)CCCO2)CC1 1507899372 DEBGGUHRCSRMHT-OAQYLSRUSA-N 431.378 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC=CCO1 1508010634 YPAFEUXMUXRVFC-HSZRJFAPSA-N 429.568 4.876 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1Cc1cccs1 1508155497 OESCWWGUUCIBJQ-GOSISDBHSA-N 425.627 4.841 30 10 IJEE Cc1csc([C@@H](C)Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@@H](C)CC#N)n1 1511452905 HTJJHTFJGMDBNC-WMZOPIPTSA-N 433.585 4.588 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(C)c(Br)c(C)n2)CCCN1C(=O)OC(C)(C)C 1515093337 OVISXSUIRSGZDZ-HXUWFJFHSA-N 438.366 4.745 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1519964210 LXUALIYOZSBYQL-IBGZPJMESA-N 432.442 4.904 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC2(CC)CC2)ccc1Cl 1522396174 OFFPSGDNBMARSM-UHFFFAOYSA-N 436.936 4.533 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-c3csc(C)n3)cc2)CCCN1C(=O)OC(C)(C)C 1523456268 VXZJVGYLDDXEHV-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OC 1524151681 YUUQYCBDSCKNDC-UVTDQMKNSA-N 438.524 4.937 30 10 IJEE Cn1cc(C#N)c(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Br)cc23)n1 1524280967 FPHBAEWRYFCWEZ-UHFFFAOYSA-N 448.324 4.774 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)c2ccc(OC)cc2)c(C(=O)OCC)c1C 1524510116 TYTMZDATBGOWEQ-QGZVFWFLSA-N 445.537 4.717 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C 1525731383 XHWDPVMTWUMCQS-SFTDATJTSA-N 430.593 4.547 30 10 IJEE CCCN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(C#N)c(Br)c1 1526381268 IFYNGQUQTYIAOL-UHFFFAOYSA-N 439.712 4.931 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(OC3CCC3)cc2)nnc1-c1ccco1 1527824652 OESILRSUAVVBKQ-UHFFFAOYSA-N 425.510 4.743 30 10 IJEE C#C[C@H](NC(=O)c1c(C)nn(-c2ccccc2)c1Cl)c1ccc(Br)cc1 1528082360 XCSQDAXURZVILW-KRWDZBQOSA-N 428.717 4.701 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 1530320373 MXIGGJSTPKCENC-JOCHJYFZSA-N 427.504 4.876 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1530533471 BKJFDJIRHIVENM-XXBNENTESA-N 444.984 4.965 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)C(F)(F)F)cc1 1532569511 AALPAQJJLWKJBC-OAQYLSRUSA-N 443.425 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CCC)CC1 1538974120 RATNTZHFSURAEJ-OALUTQOASA-N 444.023 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOCC(F)F 1538987943 YCNDLZPCDVURCP-OAHLLOKOSA-N 448.514 4.942 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1539059603 RWPZMRGBAVPEMY-VWLOTQADSA-N 440.588 4.550 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC(C)C 1539625003 XUHOSECCQVHLQO-OFNKIYASSA-N 442.604 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCCOc1ccccc1 1539629762 YHCWZKODQBASAZ-QPPBQGQZSA-N 447.583 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cc(Br)cs1 1539665982 LYVANCDWENHBDY-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OC(C)C)CC1 1539735569 QFWIAYDQTSLXRB-UHFFFAOYSA-N 436.959 4.724 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCOC(C)(C)C)CC1 1539836127 ODCQDXWABRVVSD-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)cc2F)CC1 1539882066 DTBFNKFUDDTDBW-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CC(C)(C)CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 1540115513 UKFXCYKCQUXCAO-UHFFFAOYSA-N 428.508 4.633 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC1CCC(OC)CC1 1540146840 KCXHGPVGXVTDAT-UHFFFAOYSA-N 437.613 4.723 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@H](CC)C1 1540920575 ZIFUDPBEEYLHMS-GOSISDBHSA-N 439.050 4.762 30 10 IJEE C=CCCC[C@H](C(=O)N(C)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1 1544024007 AMXMVOMYGWIELH-QHCPKHFHSA-N 428.598 4.818 30 10 IJEE CO[C@@](C)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1)C1CC1 1554578953 DPAXRBQCSJFFPZ-QFIPXVFZSA-N 431.943 4.683 30 10 IJEE C=CCn1c(SCC(=O)COc2ccc(Br)cc2)nnc1-c1ccoc1C 1559333230 KHOZKHAPXOOATP-UHFFFAOYSA-N 448.342 4.535 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(-c3nc4ccc(OCC)cc4s3)cc2)C1 1562120923 GEXWOLNPUFJYCK-IBGZPJMESA-N 434.565 4.581 30 10 IJEE Cc1csc(NC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)c1C#N 1562767196 GWZJFFYJYCPWNE-UHFFFAOYSA-N 434.359 4.904 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OC)cc1OC1CCCC1)c1ccc(Cl)cc1F 1564233551 VKKLYKYEYFPDSK-OAQYLSRUSA-N 430.907 4.983 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)c1ccc(Cl)cc1F 1564667496 AGQKJFYZIFTNGU-MOPGFXCFSA-N 437.943 4.536 30 10 IJEE CN(CCN(Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F)Cc1ccccc1 1565351966 BMHODGBGXUGMCX-UHFFFAOYSA-N 430.527 4.541 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C 1569685500 KCTNIASTXOZNFE-YLJYHZDGSA-N 435.996 4.627 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccccc1 1586027521 NCKPUZRIXZPUKJ-GDLZYMKVSA-N 439.558 4.514 30 10 IJEE C=CCn1c(SCC(=O)N(CCOC)[C@H]2CC[C@H](C)C2)nnc1-c1ccc(Cl)cc1 1586512461 ZMKLFIHHIHKMPM-LPHOPBHVSA-N 449.020 4.540 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1csc(C)c1 1588181471 UYPMLSNMKXLEHT-NRFANRHFSA-N 432.593 4.916 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCc1sccc1C 1588205387 JZUNWKYUNQTFEQ-UHFFFAOYSA-N 425.561 4.569 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@@](C)(CC)O1 1588279763 AXRWZXZVNFPILO-IIBYNOLFSA-N 449.368 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CC)CCc1ccccc1 1589556975 GFANZGIJRDMNIM-VWNXMTODSA-N 436.625 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)cc1SC 1589600260 ZDSFIVGZPSNJPI-XMMPIXPASA-N 444.645 4.800 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCc2cccnc21 1589687374 CSQJOAWIWZRHHS-FQEVSTJZSA-N 435.547 4.914 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCSC1 1593696194 LDMFECNSWLNKRZ-PMACEKPBSA-N 430.618 4.569 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1594455085 LAVRVTAMSOFTFK-INIZCTEOSA-N 433.000 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1594528628 LMCFBXMKINUTBL-LEWJYISDSA-N 428.552 4.746 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1594692679 CKHMMZNTVWAWEN-PMACEKPBSA-N 425.533 4.603 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)CC1 1594720283 HPRNTQOYUGVHSV-LJQANCHMSA-N 434.588 4.658 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC(C)C)C1 1594720299 IGZRDDZDNQAEOF-FQEVSTJZSA-N 448.615 4.904 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1cnn(CC)c1 1595161892 OWIFVKVPRUBOHK-UHFFFAOYSA-N 432.597 4.696 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(C)CCCO2)C1 1611765189 GVFOXZKKJKJHTJ-LEWJYISDSA-N 434.371 4.951 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(C)c1Br 1613398358 DMWBPBFHHWWSMN-UHFFFAOYSA-N 435.435 4.856 30 10 IJEE CSCc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1620248471 DNMKDFDVYZFTMF-DEOSSOPVSA-N 432.597 4.690 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1 1624203728 QSSKVHGXIDDMNS-IEBWSBKVSA-N 434.349 4.605 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c1C#N 1625773499 DESNLSDQABGLCT-UHFFFAOYSA-N 427.398 4.780 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc(C)c(C)c1 1627425277 DNZUSTNCIRCWHF-UHFFFAOYSA-N 427.504 4.605 30 10 IJEE C[C@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CN1Cc1ccccc1 1630157828 CYMINVNGZHDKDB-NBGIEHNGSA-N 425.532 4.530 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(F)c(I)c1 1634163970 VQHCFOJMJYMRAV-UHFFFAOYSA-N 425.241 4.580 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1634901155 JFQKCGXSEIILHT-JOCHJYFZSA-N 449.551 4.836 30 10 IJEE CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)c1cc(C#N)c[nH]1 1635146724 BOUFVCXLXMFCKL-UHFFFAOYSA-N 428.261 4.852 30 10 IJEE CSc1ccc([C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N(C)C)cc1 1636321540 GYSUVOXUJZCTCJ-RUZDIDTESA-N 445.588 4.892 30 10 IJEE C#C[C@@H](NC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Cl)cc1F 1636567001 KPEYCQVYLVSMMN-LJQANCHMSA-N 428.891 4.693 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)C(=O)OCC 1636838223 RGWVZXPXIAAXDE-QFIPXVFZSA-N 434.540 4.615 30 10 IJEE C=C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1)c1ccccc1 1636877614 NVIYKCJATJCFJP-PKTZIBPZSA-N 436.552 4.785 30 10 IJEE CCN(CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1641519166 HTQMWAJZNGXDMS-UHFFFAOYSA-N 432.543 4.667 30 10 IJEE C=CCn1c(SCc2cccc(OC)c2Cl)nnc1[C@H]1COc2ccccc2O1 1651648501 UMYMFYFSLDBXCO-GOSISDBHSA-N 429.929 4.931 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1653289111 BFANFRBWMWWGDE-HNNXBMFYSA-N 427.358 4.833 30 10 IJEE CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCCC(C)(C)[C@H]1C#N 1654371732 DHWOVRWCIFFSIA-LJQANCHMSA-N 425.554 4.544 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC(CC)CC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1655970447 VBFPYCAZODWZMT-KGLIPLIRSA-N 433.643 4.554 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2c[nH]c3cccc(OC)c23)cc1OC 1656953302 SZOPDQPACQUCOJ-UHFFFAOYSA-N 445.357 4.845 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1OCC 1657962331 BZFGYZBANMIFRU-YLJYHZDGSA-N 447.373 4.818 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCCCN1CCC(Cc2ccccc2)CC1 1659604177 JMRXRBWTORKDHJ-UHFFFAOYSA-N 437.559 4.694 30 10 IJEE CC1(C)C[C@@H](c2ccccc2)N(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1664597579 ADMCFLZEKUPJOR-KRWDZBQOSA-N 437.334 4.622 30 10 IJEE Cc1cc(Oc2cc(Cl)ccc2CNS(=O)(=O)N(C)[C@@H](C)CC#N)ccc1Cl 1665212192 FVXFEEZVDQTAJM-AWEZNQCLSA-N 442.368 4.663 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@H]3CCC[C@]3(NC(=O)OC(C)(C)C)C2)cc1OC 1665345375 IAGQNMJSUYVVLK-HXOBKFHXSA-N 436.980 4.793 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C2(c3ccccc3)CCCC2)cc1 1667956862 SHMQEBCVOKEHHX-LJQANCHMSA-N 441.597 4.515 30 10 IJEE Cc1ccccc1C1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCCCC1 1668084959 HNMXOTXSBWACOP-UHFFFAOYSA-N 434.559 4.740 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 1668996688 UBNXQFXZUAUNBG-UHFFFAOYSA-N 435.278 4.696 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 1675154974 YIHGVSWXZMVAPC-LJQANCHMSA-N 442.566 4.773 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2Cc2ccc(OC)cc2)cc1C#N 1675656462 BVHODYKNEBXDHN-FQEVSTJZSA-N 436.512 4.764 30 10 IJEE N#Cc1ccc(CNC(=O)NCC2(c3ccc(Br)cc3)CCC2)cc1Cl 1677183297 BNDOAWRCLNMIFK-UHFFFAOYSA-N 432.749 4.895 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](C)Oc1ccc(Br)cc1)c1ccc(Cl)cc1F 1679357509 STYCURHDWURUNZ-KZULUSFZSA-N 439.712 4.683 30 10 IJEE C#Cc1ccc(NC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(Cl)c1 1680873499 ZLTMSYPWQKYBJL-UHFFFAOYSA-N 427.932 4.880 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)[C@@H]1CCCc2ccccc21 1681387881 RXQZQFDUIATZFK-DNQXCXABSA-N 432.955 4.885 30 10 IJEE C#C[C@@H](NC(=O)NCCCCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1686861088 POVPNBNINBROKK-GOSISDBHSA-N 425.932 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCc1nc(C(F)(F)F)cs1 1689840315 XJVBTVMMGRRZJB-AWEZNQCLSA-N 433.503 4.683 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@H](C)O[C@H](C)C1 1690157272 CBCTXYJFZCVXPT-GASCZTMLSA-N 447.029 4.793 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1sccc1Br 1690201561 OWAKSFGZQDUHNP-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCCn2ccnc2C)CC1 1690364467 QWUDQCOCBDWFAY-LJQANCHMSA-N 438.551 4.699 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1690415693 VBOJRTRYVOKDAJ-LAUBAEHRSA-N 432.996 4.974 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690420813 SIUYCRIMBZZFIB-XPWALMASSA-N 438.616 4.807 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](F)C1 1690603566 DULVHLFKNBOEEG-DHIUTWEWSA-N 436.579 4.513 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(C3CCC3)n2Cc2ccc(OCC(F)(F)F)cc2)C1 1692850828 BBDHNTRWWQKEBY-OAQYLSRUSA-N 433.478 4.665 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1sccc1Br 1697549035 AVVSPJDCXMATFY-CYBMUJFWSA-N 446.374 4.564 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(F)cc(F)c2C1 1705511856 IEBBZSHKPJWZTP-UHFFFAOYSA-N 427.886 4.638 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C#N)o1 1705604970 XQDSOTWYTKFRIR-KRWDZBQOSA-N 437.931 4.661 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCCN1CCCCC1 1705606391 QHVGORAQAMDPSF-UHFFFAOYSA-N 444.627 4.917 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)CC(C)(C)C1 1705653164 ANOQZCIKFIHKEQ-QZTJIDSGSA-N 430.593 4.796 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN(CC)C1CC1 1705713843 VRHGOAHLXFCBDB-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1705719175 NYHAWNDLYHFNRM-IBGZPJMESA-N 447.649 4.882 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(CC1CCC1)CC1CC1 1705745546 KVZIZIASPUJIGU-UHFFFAOYSA-N 438.801 4.815 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1705791834 FTXPZOPWFSOSHS-RTBURBONSA-N 430.618 4.631 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1705836632 ZSNIRUPRXWTLIA-WIYYLYMNSA-N 449.368 4.674 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCN(C)C1CCCCC1 1705858601 ZMWALQHFOKYSRZ-UHFFFAOYSA-N 434.632 4.904 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)C 1705883453 IYPUQXBXNSBDNA-AUSIDOKSSA-N 437.588 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1722284679 ZCLQOZQMRVWESM-UWJYYQICSA-N 444.645 4.977 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC(C)(C)C 1722294210 PVVDRONVQBRFNY-GOSISDBHSA-N 434.588 4.520 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1722316112 BIOXZPWHNVSHHP-UHFFFAOYSA-N 449.430 4.699 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC(C)C)C1CCCC1 1722455963 XAPXFPJOIZWALM-UHFFFAOYSA-N 427.574 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722587635 VYMUUMBVOLROPX-GOSISDBHSA-N 429.996 4.505 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722605335 DHSKTOYDVVJXME-UHFFFAOYSA-N 445.633 4.591 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722606994 LCZSVUPGQDYUTC-UHFFFAOYSA-N 433.556 4.671 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1722652014 YNXLYFMPRANAHU-UTKZUKDTSA-N 429.634 4.630 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CC12CCOCC2 1722689931 JEXRFPMKUAFUSO-GOSISDBHSA-N 428.964 4.506 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)CC1 1730348115 DOSMUPRHXQHZBM-UHFFFAOYSA-N 432.572 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OCC)CCCC1 1740538159 DBXWYNIEJMHIER-ZWKOTPCHSA-N 426.630 4.939 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@](C)=O)CCC1 1740539003 QTSBKXYQBOGGMZ-MMEWPQADSA-N 447.029 4.572 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nnc1C(C)(C)C 1740748317 DIZRYWLLIZQWAW-OAHLLOKOSA-N 443.393 4.745 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740775175 PKIRJEHOBOQALS-QGZVFWFLSA-N 448.011 4.838 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](OCCC)CC1 1740813731 HAKXDXNGTACSOZ-IBGZPJMESA-N 427.980 4.888 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1740814885 GMNDSZZYLZZELS-UHFFFAOYSA-N 447.967 4.898 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC(C)CC2)CC1 1740839375 HACLGJDVGRCUGG-UHFFFAOYSA-N 439.623 4.923 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)CC)CC1 1745848000 BVIMVVYJOYVHAW-OAQYLSRUSA-N 439.604 4.950 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 1748698035 BVJLEPRWCMPMJQ-WIYYLYMNSA-N 428.552 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCC[C@@H]1C 1749053095 BGUJUYXXJDYWHU-PMASJOIYSA-N 442.991 4.615 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1ccccc1F 1749131739 VCWCWPPFZKEHSN-HJNYFJLDSA-N 428.552 4.667 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)=C(C)C1 1749135512 FMFSHCNGVQWWBD-XXBNENTESA-N 426.536 4.524 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@@H](C)C1CCC1 1749189752 QYDOADACQQMWRZ-AZUAARDMSA-N 431.625 4.984 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1749268854 IIQBIAZGDKEPFK-HBMCJLEFSA-N 430.980 4.529 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](OC)C(C)C)CC1 1749293173 DOMGBSCFKPJAQJ-CQSZACIVSA-N 425.396 4.597 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1749298861 VLNQWVCATPFFRF-JOCHJYFZSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccnc(C(F)(F)F)c2)CC1 1749316752 JQAYKBMAXGTMQD-IEBWSBKVSA-N 449.521 4.815 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nc(C)c(C)s2)CC1 1749343080 ACKDOPAVZUBMFI-UHFFFAOYSA-N 443.567 4.866 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(CO)CC1 1749357341 NIXKASWSXUSBJG-UHFFFAOYSA-N 442.604 4.552 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1749367002 ONDJFASSIDBZHO-IBGZPJMESA-N 445.995 4.850 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCO1 1749386975 QMYNCGGIVPQTIY-DENIHFKCSA-N 426.561 4.542 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)nnc1C(C)(C)C 1749409385 VHFAMYNTGXYYPG-QGZVFWFLSA-N 445.011 4.835 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1(OCC)CCCC1 1749531511 IQTBSPFZHUHXTP-QHCPKHFHSA-N 449.599 4.933 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2(COC)CCCC2)C1 1749700456 KJIYMFFFWHOJLH-NRFANRHFSA-N 445.007 4.977 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC(F)(F)c2ccccc2)C1 1749716776 BEMQKBXOYVKTLS-LJQANCHMSA-N 430.524 4.504 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1749754182 GYJNMYCIWXWGPO-QGZVFWFLSA-N 441.601 4.619 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCCCC1 1760099271 DPYZXBLKGNXKTO-IBGZPJMESA-N 448.640 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCCOC1CCCCC1 1760198855 POFOITLVENEUST-UHFFFAOYSA-N 428.939 4.550 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@]2(CC=CCC2)C1 1760287259 LSRRBFKZSSYVIB-OTPAQWSUSA-N 442.673 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1ccc(OCCC)c(OC)c1 1760297312 OKXVGNFEFXTJFW-AREMUKBSSA-N 436.600 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](SC)C(C)(C)C 1760337653 UVSICGHEPWPGRK-PMACEKPBSA-N 430.618 4.971 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1760361100 RRGFDRZLEPPOTA-UYAOXDASSA-N 445.633 4.686 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccccc1C 1760420964 ACHCRTHHJQDCJW-OAQYLSRUSA-N 430.556 4.932 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(OC)ccc1Br 1760430961 ZSHGBFANUWZGPM-LJQANCHMSA-N 449.393 4.893 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1760451911 XXXCXCMKENMVME-GOSISDBHSA-N 431.650 4.862 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC(F)(F)C2)c1 1768381007 GJKOKFAXSDEVKJ-AOMKIAJQSA-N 445.514 4.528 30 10 IJEE COc1ccc2cc(C#N)c(SCC(=O)Nc3cc(OC)c(Cl)cc3OC)nc2c1 1858204617 CLZPGQKPUAFBRW-UHFFFAOYSA-N 443.912 4.516 30 10 IJEE Cc1cc(C)c(NC(=O)c2nc(C(=O)Nc3ccccc3C#N)n3ccccc23)c(Cl)c1 1858242575 AGELIQGKDZBMSI-UHFFFAOYSA-N 443.894 4.981 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1862147908 HLGXDWCXEBHNHG-DYHBGCKMSA-N 430.592 4.925 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)c1 1862433651 HTMSWPNAKQYHAD-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1OC 1862437189 LHKZIZQMWVXJOT-OAQYLSRUSA-N 443.927 4.982 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(Cl)c2)ccc1F 1862502648 GICTXOYZFKQZMG-XLIONFOSSA-N 429.875 4.545 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862535165 AXVNUXQNSYRFOT-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C(=O)O)cc1 1862535342 YFYNAYZPNHSMDK-NRFANRHFSA-N 447.512 4.787 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc2ccccc12)c1cccc(O)c1 1862593001 OGWJDPFACSVKIK-DEOSSOPVSA-N 436.467 4.719 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CCCCC2)c1 1862638286 XXROXAYHSVWGQE-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 1862650301 SETDUMMJQFAVJL-QHCPKHFHSA-N 433.479 4.984 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 1862665955 SCAPSXYYEBHXJH-QHCPKHFHSA-N 447.487 4.896 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)cc1 1862713038 GBXCYOLJFQTHDN-DEOSSOPVSA-N 429.516 4.889 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(Cl)cc1 1864103225 MVNCMLADPNXQGV-LJQANCHMSA-N 448.954 4.610 30 10 IJEE Cc1ccc(-c2nc3cc(C(=O)NC(C)(C)C(=O)Nc4ccccc4C#N)ccc3o2)cc1 1866881071 DDTMMKZBNIRIOF-UHFFFAOYSA-N 438.487 4.822 30 10 IJEE Cc1ccc(-c2nc3cc(C(=O)NC(C)(C)C(=O)Nc4cccc(C#N)c4)ccc3o2)cc1 1866881549 KOZCSYUNRSGFAC-UHFFFAOYSA-N 438.487 4.822 30 10 IJEE Cc1ccc([C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 1866958448 WPDUVZAGTHDMGW-UIOOFZCWSA-N 439.559 4.973 30 10 IJEE CC1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccc(F)cc2)CC1 1870348156 LQAKNMNLNRLHHL-UHFFFAOYSA-N 445.538 4.718 30 10 IJEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870920090 BWVIHFRHURVXLB-UHFFFAOYSA-N 431.536 4.801 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3F)CO4)C2=O)cc1OC 1871346919 JISSDDUXHPVKLI-MSXFZWOLSA-N 447.462 4.811 30 10 IJEE CC[C@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)c(OC)cc2OC)C3=O)C1 1871353643 WXKVIHNDZXTGKE-ISNLTARASA-N 439.508 4.587 30 10 IJEE Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)c1 1871354916 HXUGMQSKEXXQAW-IWIPYMOSSA-N 432.564 4.948 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 1871420548 CMRQHXVHKREQKH-FMCGGJTJSA-N 444.443 4.791 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871420864 NQFKJWWALDSVOJ-MTJSOVHGSA-N 430.416 4.537 30 10 IJEE CC(=O)c1sc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)nc1C 1871433586 HJSYKBYQHXXGDI-JMIUGGIZSA-N 448.500 4.596 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871437884 GGTMETFXHFFFFH-JVDNRXPZSA-N 438.520 4.866 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1)S(=O)(=O)CCCC 1872507199 UFIVBXNDKYANLL-OAQYLSRUSA-N 434.989 4.946 30 10 IJEE CC(=O)Oc1ccc(C(=O)[C@H](C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872763204 HCBVGFOKOSKZSA-KRWDZBQOSA-N 441.306 4.988 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c([N+](=O)[O-])cc1OC 1872777115 GXAADYJAPWOYNF-AWEZNQCLSA-N 448.460 4.707 30 10 IJEE COc1ccc(OC)c(CC(=O)[C@@H](C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c1 1872787349 HTSKQOUWRIUXHU-LJQANCHMSA-N 436.533 4.872 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2sccc2C)cc1 1874483568 BSIKGIQQNOQBEA-WSDLNYQXSA-N 427.599 4.867 30 10 IJEE COc1cc(Br)cc(/C=N/n2cnnc2SCc2cc(C)ccc2C)c1O 1874538515 JEIOFHDSZRSBTC-LSFURLLWSA-N 447.358 4.546 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccccc2[N+](=O)[O-])cc1 1874565039 CNPUZVFCHUUIFG-PXLXIMEGSA-N 425.514 4.517 30 10 IJEE O=C(/C=C/c1cc(Br)cc(Br)c1OCCCO)c1ccccc1 1874578503 QZEHGOJNRMFLON-BQYQJAHWSA-N 440.131 4.869 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)NCc1ccco1 1874616183 MRNWOBQIKOAOIX-JXMROGBWSA-N 439.895 4.841 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccccc3OC)c2)c(OC)c1 1874714324 PMAZWCFOMLLYNG-UKTHLTGXSA-N 448.471 4.836 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccncc2)c(Br)c1 1875118552 BWYLPWOHRFZUPW-SOFGYWHQSA-N 438.277 4.968 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@H]2CCCO2)c(Br)c1 1875143236 QBCCDLQGMYPSTN-HSTAZWAASA-N 445.309 4.747 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCCc3ccccc3)ncnc21 1875228593 VGOVWWITENLCKD-UHFFFAOYSA-N 425.536 4.544 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCc3c(Cl)cccc3Cl)n[nH]2)c1C 1889774146 HNXZIVKRTLWFEB-UHFFFAOYSA-N 432.355 4.745 30 10 IJEE CC1(C)C[C@@H](Nc2cc(Br)c(C#N)cc2F)CN(C(=O)OC(C)(C)C)C1 1965632543 VPTARBGQKWECFP-CYBMUJFWSA-N 426.330 4.907 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H](CNC(=O)OC(C)(C)C)C(F)F)NCCC 1984701619 UNQOLNNGARNELJ-UXHICEINSA-N 426.548 4.924 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 1991580956 IEJJJOISYFDKNI-MOPGFXCFSA-N 425.614 4.521 30 10 IJEE CN1CCN([C@@H](C#N)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 2071360250 XNIGTLAVYMZVHS-VWLOTQADSA-N 427.548 4.657 30 10 IJEE Oc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)n4)c(C(F)(F)F)nn13)CCCCC2 2081307681 IVWOAPWBDVPYNA-UHFFFAOYSA-N 434.315 4.943 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)cc(Br)cc1F 2089292316 QYKBGUWUXBXIHP-WBVHZDCISA-N 431.321 4.685 30 10 IJEE C=CCN(CC[C@@H](NCCC)c1c(F)cncc1Br)C(=O)OC(C)(C)C 2099287308 INDKOXKERMWVDX-MRXNPFEDSA-N 430.362 4.837 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100156596 NKZTZLPXKYAOFG-ZEQRLZLVSA-N 435.417 4.802 30 10 IJEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)c1cc(Br)ccc1C#N 2118197094 QJTQBIUFVJNMIC-UHFFFAOYSA-N 436.272 4.604 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCCC 2126700465 KUFYMGWNYNPNRS-GJZGRUSLSA-N 433.337 4.717 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 2145541883 QTOKAEVKGKHDGP-HOTGVXAUSA-N 445.348 4.555 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)c(Br)c1F 2174767881 OYXQWUOILZKXHJ-YOWGUQMCSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cccc(Br)c2C#N)CC[C@@H]1C(F)(F)F 2174813248 UBDVUTDDEAQVBC-JSGCOSHPSA-N 448.283 4.603 30 10 IJEE C=CCC1(C(=O)N2CCCc3cc(Br)ccc32)CN(C(=O)OC(C)(C)C)C1 2180953842 DBRWCHKMTSCVLI-UHFFFAOYSA-N 435.362 4.542 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)c1csc(I)c1 2227477830 XWRLLZIQONZUOB-CQSZACIVSA-N 446.151 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(N)C#Cc2ccccc2Br)C1 2235736051 WIXWXARVABNMNA-YADHBBJMSA-N 433.390 4.699 30 10 IJEE C[C@H](C[C@@H](N)C#Cc1ccccc1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2235747120 NMWMITUOQWGWNC-NEWSRXKRSA-N 435.406 4.801 30 10 IJEE C[C@H](C#N)C1CCN(C(=O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)CC1 2236700023 MIUKVFJNKUHRIY-CYBMUJFWSA-N 436.350 4.808 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)C3CCC3)ccc2Cl)OC1(C)C 2247899319 MINSWWMWYSEYEA-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255526290 RHHAGVWCLIURGR-GOSISDBHSA-N 425.353 4.812 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)cc1 2255704393 HNGAEHLCRJIUGJ-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2256730788 IZTOAVUIHFDIIV-WNCULLNHSA-N 439.644 4.740 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CC[C@H](CC)N(C(=O)OC(C)(C)C)C1 2262206885 QBKKBNIFIWSSRY-SQJMNOBHSA-N 447.572 4.799 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)C(=O)C#Cc1cccc(Br)c1 2278734572 GIPBRMDFLBBYJG-INIZCTEOSA-N 440.403 4.795 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCCC(=O)Nc2ccc(C#N)cc2Br)C1 2296141878 JKTQPWJSBMFGFB-CQSZACIVSA-N 436.350 4.687 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 2296218271 CHZGDAKRTWCRAQ-UXHICEINSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)C#Cc2ccc(Br)cc2)(C(F)(F)F)C1 2296226718 IASSOYBFLFDPOX-GOSISDBHSA-N 446.263 4.559 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2cccc(Br)c2)CC(C2CCC2)C1 2296231278 BSVWIPXGAXJCKQ-OZWAEMERSA-N 434.374 4.635 30 10 IJEE CSc1nnc(N2C(=O)C(=O)C(=C(O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)s1 2297747040 WOHLZVRUMHOYLT-QGZVFWFLSA-N 437.546 4.503 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2305317188 SQCXMSKYWTVHHG-UKDJSQQHSA-N 428.573 4.601 30 10 IJEE COc1cc(C(=O)Oc2ccc(C(=O)C=Cc3ccccc3F)cc2)cc(OC)c1OC 2314430014 UGTSQBWWFFHXBT-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC)n1N=Cc1ccc(Cl)c(Cl)c1 2321031470 LJOQZZDSZASUBI-UHFFFAOYSA-N 442.416 4.770 30 10 IJEE CC(C)[C@@H]1C[C@](N)(C#Cc2ccc(Br)cc2)CN1C(=O)OCc1ccccc1 2321371542 AKJUANUPVLASSI-JTHBVZDNSA-N 441.369 4.565 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2321511139 LCCWWNQIGGEHOX-MOPGFXCFSA-N 445.560 4.655 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCOc3ccccc3)CO4)C2=O)c1 2322037991 BMZSRTUGUZIPPY-UHFFFAOYSA-N 429.472 4.542 30 10 IJEE COc1cccc(C=C2Oc3c(cc4c(c3C)OCN(CCCCN3CCCC3)C4)C2=O)c1 2322379319 VWSJGYYQFZWLAR-UHFFFAOYSA-N 448.563 4.648 30 10 IJEE COc1ccc(C=CC(=O)c2cccc3ccccc23)c(Br)c1OCCO 2323202881 WCSHSAFGDDQHDZ-UHFFFAOYSA-N 427.294 4.878 30 10 IJEE CC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2323896581 VFCBCHMTGOQHIG-UHFFFAOYSA-N 443.455 4.513 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3ccccc3C)C4=O)CC2)c1 2324186186 MCSOIIGXDMCTTQ-UHFFFAOYSA-N 440.543 4.947 30 10 IJEE CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2324305031 SFKRKJJUCIAXNG-ZDUSSCGKSA-N 431.282 4.784 30 10 IJEE COc1c(Cl)cc(C(=O)C=Cc2ccc(OCCCO)c([N+](=O)[O-])c2)cc1Cl 2324598812 ITSGKAKPHYAKON-UHFFFAOYSA-N 426.252 4.568 30 10 IJEE COc1cccc(C=C2Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)c1OC 2325103571 WAKYGBBYILZVTH-UHFFFAOYSA-N 440.492 4.678 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)c1 2325727043 FYSWRXZITVRJKS-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE COc1cc(C=Nn2c(COc3ccccc3Cl)nnc2SC)ccc1OC(C)C 2327601244 HNHDDKYFHTWSFJ-UHFFFAOYSA-N 446.960 4.910 30 10 IJEE CCCOc1c(C=Nn2c(Cc3ccc(OC)cc3)nnc2SCC)cccc1OC 2329263812 YKXNIAIFWAGVGS-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccc(Cl)c1 2331404079 XSGDLQHXCFYTJV-UHFFFAOYSA-N 436.025 4.852 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cn(C)c2ccccc12 2331429577 IKFRBPWCXPRLIQ-UHFFFAOYSA-N 446.580 4.581 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CCOC 2331751972 JWPXIIHASFKFIF-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc(OC)c1OC(C)=O 2331809685 FXPCOPCDHUOSSM-UHFFFAOYSA-N 425.264 4.841 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585179 LJSCHWHSJHYGRU-MJGOQNOKSA-N 443.397 4.784 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2365063439 ZTHCMDACKZHOGF-BJKOFHAPSA-N 445.416 4.685 30 10 IJEE C#CCCCCC[C@@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366673690 XUYNTINDDJFTAQ-TZMCWYRMSA-N 425.763 4.601 30 10 IJEE Cc1ccc2nc(CSc3n[nH]c(N/N=C/c4c(O)ccc5ccccc45)n3)[nH]c2c1 20907505 CWXRREOZXIMUFY-FOKLQQMPSA-N 429.509 4.587 30 10 IJEE Cc1cc(C)cc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2cccc(Cl)c2)c1 32973623 AXIJGSUKEXLQNX-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1OC 33321214 HAXQYPBSXHWOJQ-WNSKOXEYSA-N 432.476 4.664 30 10 IJEE Cc1ccc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1 33959931 LKSGIRQTGTUMIO-HZHRSRAPSA-N 440.594 4.739 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(CC)cc2)c1 35279586 XODKIMDXPLYHOI-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE CC[C@@H](Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1O 38623250 JUOHCXJJXZGDRJ-OXQOHEQNSA-N 434.467 4.523 30 10 IJEE C=CCc1ccc(OCCCCn2c(CCCNC(C)=O)nc3ccccc32)c(OC)c1 40203923 DCJBLFPVIPFDDZ-UHFFFAOYSA-N 435.568 4.701 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)cc1 41284693 BTJWNIHZDLKWCX-HMAPJEAMSA-N 428.440 4.925 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1)C1C2CC3CC(C2)CC1C3 59015232 QSEJFDZBLIUCSQ-AUEPDCJTSA-N 429.977 4.638 30 10 IJEE CN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 59446351 VLGVCVJVSXCEGN-HNNXBMFYSA-N 442.755 4.919 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 102536471 BVHHMHSSOLMHJK-BKFNZJSOSA-N 439.511 4.940 30 10 IJEE Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@@H]2c2cccc3ccccc23)s1 102693530 VXZKNDCZJQQXBV-LCPUNJGISA-N 445.475 4.765 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(O)cc2)c1 169959021 USBDHTGDSAFCAD-HSZRJFAPSA-N 443.455 4.521 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1cccnc1 170005111 WXCXQGPYEHXRGX-JOCHJYFZSA-N 436.870 4.976 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)cc1 170011102 DPGRCBMJDOYAFM-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)cc1 170059560 HXDFOLSNISZVPZ-HSZRJFAPSA-N 432.907 4.833 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1OC 170125863 YRJRNNQVPOKOHH-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 170132776 FAGTUPZZSRRCIF-QHCPKHFHSA-N 429.472 4.964 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccn2)c1 170174383 GTQWNYOSLQKYBQ-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1c1ccccn1 170180930 XDYBVLWUSQQGRV-GOSISDBHSA-N 441.281 4.579 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccncc2)cc1C 170202780 MLSOOYIUIAWKDY-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@H]3c3ccncc3)oc12 170206438 QDMYPQSIZNSRDP-QFIPXVFZSA-N 440.455 4.928 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 170231230 DJXAOMDHRVDKJL-QHCPKHFHSA-N 428.488 4.647 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 170235261 OZCQSGVWYSSVCC-OAQYLSRUSA-N 433.847 4.852 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1c[nH]c2ccccc12 170255442 YCQWCXMTXQYSTP-QHCPKHFHSA-N 430.504 4.871 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccc(O)c2)c(OC)c1 170258453 JBBKULVDUSKNEC-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1 170284682 SEKNEPFVWDPCNT-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(C)o2)cc1 170300708 PAHPCYVCHMFCBG-OAQYLSRUSA-N 432.432 4.842 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccc(C)o2)cc1 170301259 SWCRDYWJJMOVIC-JOCHJYFZSA-N 428.444 4.861 30 10 IJEE Sc1nnc(-c2ccccn2)n1N=Cc1ccc(-c2ccccc2Br)o1 254762761 AJZBXIIATNETGK-UHFFFAOYSA-N 426.299 4.534 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H]1CCCCN1Cc1ccccc1 379615570 AZGGFPHYDGICLD-JOCHJYFZSA-N 427.386 4.605 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 482188465 QRNQWJUJNVRALW-UHFFFAOYSA-N 445.567 4.537 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)Cc1nc([C@H](C)OC)no1 508701142 VMCZDKOBIWDRLH-LBPRGKRZSA-N 444.948 4.726 30 10 IJEE C=CCn1c(-c2cc(-c3ccccc3)nc3ccccc23)nnc1N(C)Cc1cnccn1 508911663 BSHWIDBWMZTKCZ-UHFFFAOYSA-N 433.519 4.773 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC(OCc2ccccc2OC)CC1 509009949 CNIPBPRPBFPPFZ-UHFFFAOYSA-N 432.568 4.558 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(C)c2)c1OC 526523117 UPGGCGJQSBYZMS-QHCPKHFHSA-N 426.472 4.941 30 10 IJEE COc1ccc([C@@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607302 OZTFIFHMJIEVKG-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)c(O)c2)cc1 526744347 MFNQUZPCDADWBH-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(Br)c1 526801652 YQDIOBVPBCYYQL-JJFYIABZSA-N 449.349 4.925 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1OCC(C)C 526828683 KPUXTAYOXXOOAH-QRVIBDJDSA-N 439.541 4.958 30 10 IJEE CCCCCCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 606678136 DNYJWQYZTNTKQH-XMMPIXPASA-N 433.552 4.668 30 10 IJEE Cc1cc(Nc2cc(Br)ccc2I)c(C#N)cc1N 721129078 QITLPUGLXWOMLR-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE C/C(=C/C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1cccc(F)c1 732368126 PDQSCGANVVDGJF-ATVHPVEESA-N 445.494 4.749 30 10 IJEE Cc1ccc(C)c(Oc2cccc(Cl)c2CNCCN/C(O)=C2\N=CC=CC2=O)c1C 734843733 BNSYAENEOJIGMM-ZNTNEXAZSA-N 439.943 4.674 30 10 IJEE N#Cc1ccc(COC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)c(OC(F)F)c1 752538346 HNFLKJONBPISQE-UHFFFAOYSA-N 430.338 4.501 30 10 IJEE COc1cc([C@H](C)NC(=O)Nc2ccc(F)cc2OCC#N)ccc1OC1CCCC1 761655216 HXXOQURXTDDDBT-HNNXBMFYSA-N 427.476 4.941 30 10 IJEE COc1ccc([C@@H](NCc2ccc(C#N)cc2F)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 774173866 ZRXZGBJNGXQCGP-DHIUTWEWSA-N 439.531 4.936 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(SC3CCCCC3)cc2C)n1 788594129 ZJADZDBEZIVTAD-UHFFFAOYSA-N 440.613 4.930 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2csc([C@H](C)OCC)n2)CCCN1C(=O)OC(C)(C)C 790678131 QGGHJPZZPQZVDN-AOMKIAJQSA-N 437.606 4.545 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CCCN1C(=O)OC(C)(C)C 792531789 MPFPIVVFKIQPAH-RUZDIDTESA-N 441.572 4.515 30 10 IJEE CCCCC(C)=NNc1nc(SCCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1 1084070856 XOYCTJWHGNTMHF-UHFFFAOYSA-N 428.484 4.922 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2cccc(Cl)c2C)n[nH]1)c1ccccc1 1084128102 WECXSKZXRVMLAW-UHFFFAOYSA-N 428.949 4.724 30 10 IJEE C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1127418634 FBLYWCDQSUKDAY-GFCCVEGCSA-N 445.704 4.566 30 10 IJEE CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[nH]1 1128073383 FPKMHYWYMDUDHU-UHFFFAOYSA-N 432.480 4.845 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)c1 1129226107 HKROQALYAPFJMG-HZPDHXFCSA-N 430.595 4.558 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](c1ccccc1)N1CCSCC1 1129702805 LWHKAQGQAVILSY-FQEVSTJZSA-N 447.398 4.743 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(Br)cc(Br)c1 1129819305 HXVYIGQLXLLGLX-QGZVFWFLSA-N 434.131 4.891 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccccc1 1158670175 OPODCKNBPYUZMW-WWOZWPLTSA-N 426.538 4.765 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCN(c3nccc(Oc4cccc(C#N)c4)n3)C2)CC1 1163054481 FGBPCPQXXWXCOP-UHFFFAOYSA-N 449.555 4.758 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3ccc(F)cc3F)CC[C@H]2C)cc1OC 1178884744 HDBABIIJJVHFAH-OEPRFQHASA-N 442.506 4.679 30 10 IJEE C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)[C@@H]1OCCc2sccc21 1205103898 BAVCYINCBIBRSS-QRQCRPRQSA-N 449.580 4.927 30 10 IJEE C#CCC1(NC(=O)Nc2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)CCC1 1205166045 XRTUCOZJPKVHSX-UHFFFAOYSA-N 439.581 4.750 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1cccc(Br)c1I 1206829376 HCNWYOSTVQEAAC-SNVBAGLBSA-N 437.119 4.920 30 10 IJEE C=CCCc1ccc(S(=O)(=O)Oc2c(Br)cc(C=O)cc2OCC)cc1 1207923062 YUKYNXLGLVNIDF-UHFFFAOYSA-N 439.327 4.547 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)cc1 1214912481 WZFPQEZDHISDMX-UHFFFAOYSA-N 425.479 4.980 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 1222054709 BWFQBDBASYZDTD-HXUWFJFHSA-N 429.996 4.874 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F)c1ccccc1 1224523242 STBBSJPSNCUIGL-WOJBJXKFSA-N 431.458 4.595 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC 1224915365 YWSGMRVITOVVNP-QUCCMNQESA-N 431.577 4.743 30 10 IJEE C=C(CNC(=O)N[C@H](COCCC)Cc1cccc(Br)c1)c1ccccc1 1234589201 KEXKYBBXXPKCKX-NRFANRHFSA-N 431.374 4.799 30 10 IJEE CC1(C)CC(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC(C)(C)C1 1252814260 BNXHECYHRGVMHN-UHFFFAOYSA-N 433.600 4.791 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(CC)n(-c2ccccc2F)n1 1275390408 YEJYGBIPBGWQFH-UHFFFAOYSA-N 445.292 4.548 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1278997157 AYNOGNBIGRHYPW-AUSIDOKSSA-N 446.657 4.636 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](OC)C(C)(C)C 1286450888 MRDSHTGHIRQFOU-GOSISDBHSA-N 439.387 4.685 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(C)C)C1 1286500905 GYBJOMJTWKPGSR-QGZVFWFLSA-N 433.021 4.846 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@H](c1ccco1)N(CC)CC 1286525070 RQFJVMFSINMDPJ-BKMJKUGQSA-N 449.574 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286559513 XEAMHCCVXIRTEK-XPNTWCBSSA-N 440.636 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1cnn2ccccc12 1286584213 ZSGUWVCQTKUWLF-UHFFFAOYSA-N 432.597 4.977 30 10 IJEE C=C(C)Cn1c(-c2cccn2C)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1286591879 PTRILRPJGGAFOK-UHFFFAOYSA-N 434.519 4.723 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1286600607 ORWACDICHVYXHI-TZIWHRDSSA-N 442.604 4.631 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1286637496 GBYANQFIXKLTHY-JQVVWYNYSA-N 428.552 4.775 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)OC)C1 1286682225 HXFGNIBWDZOCIO-OAHLLOKOSA-N 437.371 4.998 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1286685720 XYHRVBADRNMCKR-GOSISDBHSA-N 442.608 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCc1nccs1 1286750183 SAXIKZRRNNOPCR-UHFFFAOYSA-N 439.585 4.961 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCc1nc(C)c(C)s1 1286767624 XEHIEGUKRZRKLA-UHFFFAOYSA-N 431.993 4.553 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1288495111 CTVGBQLBIAKUNT-DFYVNMARSA-N 441.626 4.623 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cn2ccsc2n1 1288512999 BTIFGBZAZOZPTH-GFCCVEGCSA-N 446.367 4.748 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CCOCC1 1288529920 BNOMDQBHCIQQEU-MRXNPFEDSA-N 434.009 4.779 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H]2C)C1 1290996453 GWHPILMRSSKQNV-MHTWAQMVSA-N 434.632 4.808 30 10 IJEE C=CCC[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)c1ccc(C(F)(F)F)cc1 1295386115 ZERQEQKDDDYUFY-KRWDZBQOSA-N 442.478 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)N1CCC(C)CC1 1300273745 HAGKRMLZBUDPDP-ZCNNSNEGSA-N 444.023 4.650 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1300385729 DDELJZWPEAYLCE-GOTSBHOMSA-N 431.584 4.855 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CC=C(C(F)(F)F)CC1 1300393352 FWHCECVOLFRXNK-UHFFFAOYSA-N 445.308 4.881 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1300419949 WVHABMQXWCFVGM-OAQYLSRUSA-N 430.955 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCc1ncc(CC)s1 1300798648 PUVLSHVLAJVXKA-JOCHJYFZSA-N 425.989 4.852 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nccs1 1300868621 FUBMRHFKIULDFN-VQIMIIECSA-N 429.977 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCc1cc(C(F)(F)F)ccn1 1300907514 KZWLJBNZZYXBDN-UHFFFAOYSA-N 440.473 4.876 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC(C)(C)OC(C)(C)C1 1300935128 JZPGZOXICMQTDC-UHFFFAOYSA-N 449.393 4.686 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(F)(F)F 1301018916 CEYVVYBRZDBUDH-UHFFFAOYSA-N 441.654 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCSC2)CC1 1301072209 FLDFGLDIUDACCU-INIZCTEOSA-N 433.419 4.926 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1301146322 ZZHZNZSYDTYBCG-UHFFFAOYSA-N 438.526 4.547 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1301169910 IVBCTKSICIRRGJ-JOCHJYFZSA-N 434.588 4.558 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(OC)c1OC 1301279151 XMIJOJOCVIWZKA-MRXNPFEDSA-N 438.597 4.819 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1Cc1cccc(NC(=O)OC)c1 1301410345 CLBAIHANCSPVRG-UHFFFAOYSA-N 435.528 4.600 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCC(F)(F)C1 1301425345 HKPOKOBJMFIRLR-IBGZPJMESA-N 436.522 4.862 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1301531599 RHLXRHYTOANLQT-NJDAHSKKSA-N 442.629 4.506 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2cccnc2)C(C)C)C1 1301554292 ZIOQZDYMIYDSJT-GGAORHGYSA-N 447.583 4.570 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1Cn1c(C2CCC2)nnc1N1CCC(C#N)CC1 1302239590 ANBJPQAPSWAQGS-UHFFFAOYSA-N 436.560 4.681 30 10 IJEE C=CCn1cc2ccc(NC(=O)CCC[S@](=O)c3ccc(Br)cc3)cc2n1 1304007050 PLMCDAZTYZYRTM-MHZLTWQESA-N 446.370 4.511 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1 1305379925 FUBVJDNPGFJPMM-QGZVFWFLSA-N 436.560 4.651 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)C1 1306328091 HSHQHYJFBCWKOL-IPVFLDMMSA-N 434.632 4.954 30 10 IJEE COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@H]1C 1310367189 AZQYXFWZZNCAPR-SCLBCKFNSA-N 447.413 4.785 30 10 IJEE CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C12CCCCC2 1310465709 CSGGUJRNGICQRA-UXHICEINSA-N 441.963 4.989 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c(Cl)c1 1311259105 SVESTPASQUSGQS-UHFFFAOYSA-N 436.726 4.618 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)CCCN1C(=O)OC(C)(C)C 1351047128 FFUHPWHMZPYADS-VWLOTQADSA-N 447.539 4.681 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2F)c(C(=O)OCC)c1C 1352792576 CPWBZQPLUANBFM-UHFFFAOYSA-N 425.865 4.621 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 1355289224 BBNNPGQOFZISEU-RUZDIDTESA-N 428.507 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1358896317 AWUVGGWYVPDWAS-ZJSXRUAMSA-N 431.584 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1CCO[C@H](C)C1 1359108206 FTCDXIITVPXTMU-HZPDHXFCSA-N 436.398 4.643 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(N(C)C)CCCCC2)CC1 1359179870 JFMMWPDDVPWLCA-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1359184933 GBOQDAGJVBOUCV-OAQYLSRUSA-N 448.615 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1359188536 PHHPMKCBMPQGRP-UHFFFAOYSA-N 438.620 4.658 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OCC)C1)c1ccccc1 1359195468 MYROUDYKXLWYEP-RPWUZVMVSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccc2C)CC1 1359205098 LOMPSWGSRSBLDM-UHFFFAOYSA-N 436.629 4.625 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1359205536 AZXPJPDNOWGWPM-QHCPKHFHSA-N 434.588 4.905 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1359207800 XVRSJUKHHXRKLQ-SFHVURJKSA-N 442.007 4.844 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1ccco1 1359343299 QAJKYNRBOQJWMA-UZLBHIALSA-N 426.542 4.500 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccsc1)N1CCCC1 1359658349 AGPXNZZECZGUFB-QFIPXVFZSA-N 434.613 4.635 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1449351735 UXKUBCNHXDARSI-GBXCKJPGSA-N 430.593 4.548 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1)c1ccccc1 1456293507 PTJTUMJIQPLLJE-BJKOFHAPSA-N 448.563 4.933 30 10 IJEE C#CC[C@]1(C(=O)OCc2cccc(Br)c2C)CCCN1C(=O)OC(C)(C)C 1458520486 NKWPAIUBDUUOBK-OAQYLSRUSA-N 436.346 4.594 30 10 IJEE C#C[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 1460786172 DDKZIPUDFRYFDO-SFHVURJKSA-N 436.899 4.893 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1465247709 CCHGPUWBWSDUKG-QGZVFWFLSA-N 428.577 4.992 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccc(OC)cc2I)CCCC1(C)C 1466442520 ZPYYHQAKQHMYLK-INIZCTEOSA-N 428.314 4.898 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1468596425 HYHUALXYFGVQCH-JWQCQUIFSA-N 444.575 4.954 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 1477256538 AKPXROYNGHZNJK-ZPMCFJSWSA-N 442.028 4.992 30 10 IJEE C=C(C)CN1CCC(NC(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)CC1 1477802539 OMRUGVLMBGJMGZ-XMMPIXPASA-N 442.003 4.938 30 10 IJEE C#C[C@H](CCC)NC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1478895837 GUKAQRDRVXZRKJ-JOCHJYFZSA-N 445.563 4.689 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2cccc(OC)c2)CC1)c1ccc(Br)cc1 1478896039 JMZXBZRASNDBLH-NRFANRHFSA-N 427.342 4.721 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCCc2ccccc21 1479075924 VAJQIBHNZNMUOI-FGZHOGPDSA-N 439.600 4.744 30 10 IJEE CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1493904888 BQIQVVVXMFSWTC-NHCUHLMSSA-N 434.632 4.810 30 10 IJEE CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1 1503466232 DTECYSODJOTVSV-AEFFLSMTSA-N 441.988 4.719 30 10 IJEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCCC(F)(F)C2)cc1 1504215289 BNRXIVJIKBDCFK-UYAOXDASSA-N 445.558 4.883 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCc2ccccc21 1507555220 JMTFQLPKKMITCP-FQEVSTJZSA-N 438.373 4.963 30 10 IJEE C#CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CN(C)C(C)C)CC1 1507561644 WMWKTHNYLDJCJJ-UHFFFAOYSA-N 432.616 4.787 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC)CC1CC1 1507572024 VHTZPPKCYFVYFB-FQEVSTJZSA-N 429.609 4.780 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@]2(CC=CCC2)C1 1507572418 JBEPEPYAIUSPBB-AREMUKBSSA-N 431.584 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccccc1F 1507662457 JLWUXJSLRBYWGR-LJQANCHMSA-N 446.595 4.976 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOC 1507700852 WALBJAVHWQLLTI-QGZVFWFLSA-N 438.572 4.557 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@H](C)C1 1507704547 GIYDGVWJTXJVSZ-WMZOPIPTSA-N 445.405 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCO[C@H]1CCCC[C@H]1C 1507772749 UAUUVURTNFOETH-RZTXVSJASA-N 440.563 4.584 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN(CCC)CCC)CC1 1507889264 DRTVCOAOHGTREW-FGZHOGPDSA-N 431.669 4.865 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1507975036 MCAZDVOXZDALOU-HZPDHXFCSA-N 433.394 4.842 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCc2ccccc21 1508011897 PIFDNWXAFVUJFY-UHFFFAOYSA-N 434.975 4.625 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1508023187 BBNJCGDLQKYDGP-UKILVPOCSA-N 443.595 4.865 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1508025793 CCUGCBHVTYZBDA-WOJBJXKFSA-N 445.567 4.848 30 10 IJEE C=CCSCCn1c(N(C)CC2CCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508168294 OMBIQIZFOFSWHW-KDURUIRLSA-N 449.665 4.594 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2ccccc2F)nc1 1523507939 QHNXPTJVLIHXPL-UHFFFAOYSA-N 437.423 4.756 30 10 IJEE CN(Cc1ccccc1)[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)C1CC1 1523624782 AGBHUMANYUNOEZ-AREMUKBSSA-N 439.559 4.778 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(Br)cc1 1528080222 HCAFXBKZMNYYHL-GOSISDBHSA-N 429.314 4.900 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@]23CCCC[C@H]2C3)ccc1Cl 1535054174 RJAUYEXCBKEPPR-MBSDFSHPSA-N 444.984 4.784 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(F)cc2OCC(F)F)CCCN1C(=O)OC(C)(C)C 1537239770 AVZHFPYUTWAWPN-OAQYLSRUSA-N 428.451 4.754 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 1537944563 XAGHIBFXDRWXPI-OQKWZONESA-N 433.581 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C)C1CCCCC1 1539001493 CAIYYXBVKFIIIC-HXUWFJFHSA-N 432.616 4.549 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)C 1539347121 OKMSIHPMXHPFTF-HYBUGGRVSA-N 431.584 4.712 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539527215 XMHBGYFWTWJECI-KDURUIRLSA-N 448.583 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2cc(C)ccc21 1539779266 RZFCMCQEARPWLS-UHFFFAOYSA-N 432.753 4.801 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1539894408 GQPZPBUSLGPGHB-RDGATRHJSA-N 438.616 4.535 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCSC(C)C)CC1 1539899889 AKMIXCNJJDQOIR-KDURUIRLSA-N 449.665 4.593 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1539921294 UTCZGYVUABTGSI-IERDGZPVSA-N 430.543 4.753 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC1CCC(F)(F)CC1 1540140627 ZMNQKOFAABGUSX-UHFFFAOYSA-N 449.571 4.594 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC[C@H]1C 1540155689 ZZBFUPAVZSGPAQ-CEXWTWQISA-N 430.980 4.923 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccnc1OCC 1540163347 YMUXKSMGCFGBRR-UHFFFAOYSA-N 426.524 4.514 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 1540412937 KHLLSPBGKFAMBW-NQIIRXRSSA-N 432.561 4.521 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)OCC 1544339660 UQLCLSVPUZNBLO-QGZVFWFLSA-N 448.928 4.859 30 10 IJEE CC1(C(=O)Nc2ccnc(Cc3ccccc3)n2)CCN(c2ccc(Cl)cc2C#N)CC1 1545022057 AJFDLQPBQPKMBW-UHFFFAOYSA-N 445.954 4.838 30 10 IJEE CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)CCOCC1 1546125477 FQKLESNALHHDOB-QZTJIDSGSA-N 429.540 4.502 30 10 IJEE CCCN1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)C1 1547180162 ASWREMWLPPJCHV-MSOLQXFVSA-N 447.052 4.694 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2F)C(C)=O)nc2sc(C)c(C)c2c1=O 1559328582 GHNAEGIPOZSLOQ-QGZVFWFLSA-N 434.533 4.831 30 10 IJEE C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1C#N 1561394738 AFCGLEMYNIPKQU-BXKMTCNYSA-N 436.964 4.979 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)c1ccc(F)c(F)c1 1561486873 GHQYFOVWQZOBSH-OAHLLOKOSA-N 436.705 4.976 30 10 IJEE CC(C)[C@]1(CO)CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 1562315745 AFVZXVYWDPOCHK-XMMPIXPASA-N 425.504 4.539 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1 1562470127 XFNNOFDJVCXJKR-UHFFFAOYSA-N 428.488 4.720 30 10 IJEE C[C@@H](NC1(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCCC1)c1ccccc1 1562613077 GDSWVMHGXNULRA-GOSISDBHSA-N 446.530 4.668 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1565846616 CBBNIJLZWLPEOR-JXFKEZNVSA-N 439.581 4.939 30 10 IJEE C=C[C@H](C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1)c1ccccc1 1569420563 UCZQATNVYPQPBV-PXNSSMCTSA-N 431.317 4.652 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1583585448 UMCBHBKDELCZTD-UXHICEINSA-N 430.907 4.926 30 10 IJEE Cc1cc2c(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)n[nH]c2cc1C#N 1583608825 HNTHBBCEQRLUJO-GOSISDBHSA-N 439.903 4.601 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC2(CCCC2)C1 1587898315 NPSHZGWVWRYJRU-FQEVSTJZSA-N 441.620 4.924 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(Cl)s1 1588016678 URRMQBZJWDOHIS-UHFFFAOYSA-N 441.771 4.997 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H]1CCCOC1 1589008082 SIWSZCSTMMSAPY-SFHVURJKSA-N 444.670 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cccc1SC 1589177218 GWZSVYJXYVQMQD-JOCHJYFZSA-N 441.963 4.895 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)CCC 1593704288 UHYPSVCHVMTQKO-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C(C)C)CC2)CC1 1594203142 ZUBKZMFPEQJSBU-UHFFFAOYSA-N 432.410 4.885 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1594209210 UAACJAPHCSLKHQ-XMSQKQJNSA-N 439.560 4.851 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1594431110 WORPABSMQYJIEJ-VQTJNVASSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC2(CCOCC2)C1 1594473310 QFJPIALAFVCBJI-UHFFFAOYSA-N 448.970 4.726 30 10 IJEE C=CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](COC)C1 1594679237 BKGMATAMXIPXRJ-ICSRJNTNSA-N 448.995 4.506 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(Cl)c1C 1595010388 YXEFOPNGHREAGL-IBGZPJMESA-N 445.995 4.982 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cc(C)cn1 1595120522 VGIDJOIXUKDOIG-DHIUTWEWSA-N 448.615 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCO[C@@H]1C(C)C 1595191595 UFUWIHAWINJSBL-DYESRHJHSA-N 430.980 4.847 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C)CC2)cc1 1595639502 AVFIIFWOXSAKEB-SFHVURJKSA-N 437.613 4.873 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1616670896 PTBLQYKKBZBZTQ-KRWDZBQOSA-N 437.418 4.858 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC 1620810832 BPSPCZUXEKMGPF-SFHVURJKSA-N 435.351 4.852 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](C)[C@@H]1C 1625234725 DBUSZFDWBLNHKU-DLYSWHJUSA-N 438.955 4.903 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 1627462568 LGRUOJICXDCNLV-FPOVZHCZSA-N 440.588 4.969 30 10 IJEE C=CCn1c(SCC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)nnc1-c1ccc(Cl)cc1 1631444022 CGFWCWIPHDIELV-ZYSHUDEJSA-N 431.005 4.914 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)Oc1cccc(Br)c1 1632469597 BMACYQNGOHWUSQ-KRWDZBQOSA-N 449.393 4.782 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1632662247 GQJRISNPYPYSGL-QGZVFWFLSA-N 443.935 4.585 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C 1632714862 GDIVYLGGRRWNKP-FZKQIMNGSA-N 425.356 4.746 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 1633685288 DCDCGFFLZVQDJD-SFHVURJKSA-N 444.881 4.796 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)c(F)c1 1634454110 SIGWRXHQOSUHBS-VQIMIIECSA-N 449.295 4.514 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 1634866926 RDTCPYRBUMNTFE-OAQYLSRUSA-N 445.991 4.789 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1635970843 GVPDSWRXLCFUQJ-WFYIHGMDSA-N 449.532 4.985 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CCCc2ccccc21 1655692545 NJANPDHMXDVZRL-VWLOTQADSA-N 440.547 4.569 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O)c1ccccc1 1656679596 BYOMLLKJMXJUPG-IBGZPJMESA-N 438.376 4.975 30 10 IJEE Cc1ccc(Oc2cc(Cl)ccc2CNc2[nH]nc(N3CCOCC3)c2C#N)c(C)c1 1656933126 GMQCXXHLSYNUED-UHFFFAOYSA-N 437.931 4.793 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc3onc(Cl)c3c2)c1 1661305647 YMGOIARSIVQHOB-UHFFFAOYSA-N 428.922 4.920 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](c3cccc([N+](=O)[O-])c3F)C(F)(F)F)cc2n1 1664853481 HRJCOPDONVSTKH-KRWDZBQOSA-N 437.353 4.695 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccc(F)c(F)c1 1666506416 GCPBZWNGKZVXLO-JOCHJYFZSA-N 431.552 4.995 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)cc1 1667322119 OTAVIRDYSMAPPP-KAGYGMCKSA-N 441.597 4.587 30 10 IJEE Cc1nsc(N2CCN(C(=O)Nc3ccc(OCC4CCCCC4)cc3)CC2)c1C#N 1667931827 IBRWPKVYMJUKTK-UHFFFAOYSA-N 439.585 4.636 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)C(C)(C)CN(C)C 1668176431 DWNGSMLPVRXYRH-MRXNPFEDSA-N 428.964 4.888 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1 1668306538 CVOCBTAFIFQMEB-NRFANRHFSA-N 425.598 4.589 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 1675786011 PCOVUOQCGRNDNH-GOSISDBHSA-N 429.495 4.549 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 1677622881 XXRRTHRHFAAKCC-MGPUTAFESA-N 433.346 4.589 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCCC(=O)Nc1ccc(Br)cc1C 1678190754 BTYBCZGDEKKEPR-UHFFFAOYSA-N 436.394 4.864 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 1682155628 BLIYHSNFZMHQJV-VIZZQPHQSA-N 432.362 4.588 30 10 IJEE C#CCN(C(=O)N[C@H](COC)c1cccc(Br)c1)[C@@H]1CCCc2ccccc21 1683576495 UGZDPUKHLCXGCI-FGZHOGPDSA-N 441.369 4.859 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C)c1ccc(Cl)cc1 1683703022 CKIYVKFFAPLMIC-NFBKMPQASA-N 428.923 4.990 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 1684552467 GKGTZVTZGGXAIG-RUZDIDTESA-N 443.588 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@@H]1CCOC1 1689827946 KDUYZIXFGLQIDS-GBESFXJTSA-N 430.980 4.573 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1689938481 NFAZVAVNWKXAEN-UHFFFAOYSA-N 425.747 4.823 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1-n1ccnc1 1690272744 NOBQFTHWDGZKRL-FYYLOGMGSA-N 448.615 4.833 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1Cc1cccs1 1690276275 UFSUJSFJLQACFB-INIZCTEOSA-N 446.418 4.895 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1690384325 NGPUFCXRRZQIKN-WMZHIEFXSA-N 442.629 4.797 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2(CCOC)CCCC2)CC1 1690415364 IZHQVMIPCCHGQA-UHFFFAOYSA-N 442.579 4.996 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccco2)C1 1690442333 QMEJIXWHZRYPRF-HMXCVIKNSA-N 442.604 4.970 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1690580848 GRVFDJKIQODHOI-QHAWAJNXSA-N 443.661 4.875 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)cc1 1690679841 AXUMESBRDFSPIB-NZQKXSOJSA-N 431.584 4.892 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccco2)C1 1690712322 SSLGVBJUQVABPY-KRWDZBQOSA-N 449.338 4.587 30 10 IJEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)C)N(C)C(=O)OC(C)(C)C 1692696483 GCEWSZRCGVFOTQ-KRWDZBQOSA-N 440.592 4.554 30 10 IJEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCC2(C)C)c1 1697304105 GEVZIAMCSAXGSH-HXUWFJFHSA-N 437.588 4.919 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1C[C@H](CCN2CCCC2=O)c2ccccc21 1705534463 IZEFZVVBSMOZLT-FQEVSTJZSA-N 433.600 4.528 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1705593250 LNXRPRXAHPUQEN-IAGOWNOFSA-N 435.881 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(CCOC)CCC1 1705668996 YSHQUJKXSJCYPF-NTKDMRAZSA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCOC1CCCCCC1 1705676582 HKCHRIMRYNPVTG-AREMUKBSSA-N 436.600 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1705704795 ZIGJTENNEFROLN-GGAORHGYSA-N 446.599 4.785 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCS[C@H](C)[C@H]1C)c1ccccc1 1705743963 MUVHZAXUVSDJKX-IAGOWNOFSA-N 425.627 4.677 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCCOC2)CC1 1705777790 OOKZYMZGGLXCJM-HXUWFJFHSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H](OC)C(F)(F)F)CC1 1705782765 HPXQDNWWYFUWGX-GOSISDBHSA-N 444.448 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1705794171 XWGRQPFKHBEOQH-FQEVSTJZSA-N 426.609 4.764 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC(F)(F)C1 1705836377 QOXYUMOIRKGRBA-GFCCVEGCSA-N 429.284 4.904 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2CCC[C@H]21 1705949889 MEZKDCSDFCUSFO-OTWHNJEPSA-N 447.649 4.648 30 10 IJEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCc1ccc(Cl)s1 1706315327 HGXDTCYBFLWAAW-UHFFFAOYSA-N 441.004 4.557 30 10 IJEE CCOc1cc(Cn2c(-c3ccc(C)o3)nnc2N(C)[C@H](C)CC#N)ccc1OC(F)F 1710502987 GAWVXLFQNXYWLH-CQSZACIVSA-N 445.470 4.633 30 10 IJEE COC[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1712143371 AMOGSZWJRHPEKR-CLOONOSVSA-N 439.604 4.567 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1722309256 WGJJBTJEOMYBKZ-FXAWDEMLSA-N 432.515 4.774 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](C)c1ccccc1 1722402576 WNVZRNXHAYLEAJ-QPTUXGOLSA-N 432.612 4.853 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCNC(=O)c1occc1C 1722506993 WQEJNYUZUYLUOT-UHFFFAOYSA-N 441.963 4.722 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1722580851 ZQCBIYUHUXDFFI-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2ccccc2)CC1 1722591830 QEOOTHRYVHSQQY-HSZRJFAPSA-N 437.632 4.834 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1722599960 IDBRBFBGYFKSJM-OYRHEFFESA-N 437.588 4.605 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1740567685 UWIQHAKIMAMBHP-ROUUACIJSA-N 430.980 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H](CCC)OC 1740726793 OLCDUKYZJVQSOI-IFXJQAMLSA-N 437.407 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740754861 HIPXUHKDTSIEAQ-WMQCIHAUSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740761948 ZZKUBVOJHFBACD-DXIQSLLYSA-N 443.661 4.861 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)CC1CCC1 1740766034 FWBUULCAQRRHPE-WMZHIEFXSA-N 428.552 4.604 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1740767021 MBGDERRRMBIGNS-VGSWGCGISA-N 446.979 4.802 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cccc(Br)c2C1 1740780224 MIJPGVGLFOEAEN-UHFFFAOYSA-N 444.764 4.895 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(F)F)C1 1740790145 PTDZBBTWCDCEKK-GOSISDBHSA-N 427.499 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1740804747 HDVZMVUXBMUIJN-UHFFFAOYSA-N 427.936 4.599 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](c2ccco2)N(C)C)CC1 1740824526 NPMHJCRMQMQPGZ-AZUAARDMSA-N 439.535 4.610 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740852241 KWLYDIJYICIRCJ-PWRODBHTSA-N 444.664 4.930 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(COC)CCCCC1)C1CC1 1740911876 ISSJQGSLQONZKZ-UHFFFAOYSA-N 430.543 4.899 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1cccnc1OC 1740913203 ANSHZMSJHIXVDV-UHFFFAOYSA-N 435.572 4.520 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC1(CC)CCOCC1 1740937867 QZTHYPIWQIELJX-UHFFFAOYSA-N 435.572 4.683 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)CC#N)cc1 1740968991 RURDBFNZVQPRBX-STZQEDGTSA-N 437.588 4.548 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CCc2cccc(C)n2)c1 1742150963 CXRVJAHQFYIXAJ-OAQYLSRUSA-N 446.599 4.973 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1743437410 BVAGWXCKBFODSC-JOCHJYFZSA-N 431.588 4.908 30 10 IJEE CN(Cc1cscn1)c1nnc(-c2cccc(C#N)c2)n1CCc1ccc(Cl)s1 1747788926 GLPRDPPMGRUERW-UHFFFAOYSA-N 440.985 4.867 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1748649602 QILBOMMGTIXSCC-BHYGNILZSA-N 436.478 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C(C)(C)C)cs1 1748656146 MXAAIUSXFHKTRB-AWEZNQCLSA-N 444.004 4.867 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CCOC)CCCC1 1748667689 YIEHYBLBERYZFT-LJQANCHMSA-N 433.556 4.655 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1748725289 YMEYTCNDSPAPFR-ISKFKSNPSA-N 425.665 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCC(C)(C)C 1748868970 OVSQCYQHYBFVMM-UHFFFAOYSA-N 427.390 4.997 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2ccc(Cl)cc2C1 1749044632 SJVUGJXVNPEVPK-UHFFFAOYSA-N 429.014 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](CCOC)C1 1749118121 CSHNHTJLKODUOX-IGABQKFOSA-N 438.616 4.664 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1749195562 UEBVTGXKWMRNGA-FQEVSTJZSA-N 443.586 4.672 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1749217845 CXRZPVJRGJVCJQ-OAQYLSRUSA-N 448.596 4.558 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749376215 RGOWBXFWXDDIFW-VXKWHMMOSA-N 438.616 4.939 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@@H]1C 1749465064 MACVQHVCTOZIQL-RBUKOAKNSA-N 432.012 4.795 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1749467578 UASRYBMGBZEREB-HKUYNNGSSA-N 433.394 4.781 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1749512271 WKSSUYYPUUAYAW-GOSISDBHSA-N 429.565 4.551 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1Cc1cscc1C 1749532123 QWJASHYGVNXOAK-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@@H](C)C1 1749537194 BRQNVPCRFUUBSP-FCHUYYIVSA-N 431.584 4.662 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)COCCO1 1749550663 GMBSVVOOWMETTG-QFIPXVFZSA-N 444.988 4.658 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCSC(F)(F)F 1749584999 VDQDWTKUUMZRMF-GOSISDBHSA-N 440.535 4.660 30 10 IJEE COCCC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1749631162 IAWXCPKDGQTUDL-QHCPKHFHSA-N 439.629 4.826 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(SC)CCC2)C1 1749719604 XYNYEQBZYXCCPX-OAQYLSRUSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1749754388 LNVWKWVAIUOIAH-UHFFFAOYSA-N 425.646 4.566 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS[C@@H](CC)C1 1749761730 FMZDGBQWCAWIQG-SFHVURJKSA-N 427.643 4.601 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760142321 YWCFRAUFBKOAHG-NRFANRHFSA-N 428.527 4.841 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@@H](CC)C1 1760275945 OGEOBURVWFWTHD-SFHVURJKSA-N 446.711 4.974 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)CCc1cccs1 1760277563 OVQGQDRFQVFKKM-UHFFFAOYSA-N 433.606 4.600 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)C1CCC(C)CC1 1760285402 FIGQYKSRAZHGNI-UHFFFAOYSA-N 433.021 4.892 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ccc(C)o1 1760310757 MJUMJSDQTVEPPS-UHFFFAOYSA-N 440.345 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccs1 1760338858 WJFFLHULTFHEIZ-GOSISDBHSA-N 445.633 4.905 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760347856 BZZYYYNFSOMCPX-QGZVFWFLSA-N 427.549 4.721 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1Cc1cccs1 1760359253 KJQASNGCBDRWMH-IBGZPJMESA-N 428.627 4.796 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CC)CCOCC1 1760454919 ULEALYJVVUJUHM-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1CC 1760481963 NMBANWNOLUZODD-NRFANRHFSA-N 436.991 4.670 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CCn1cc(Br)cn1 1760482153 RGRKSXZLTSMZPC-QGZVFWFLSA-N 443.393 4.643 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@H](F)C1 1760497808 SKAPIVOGGCLGNW-FHWLQOOXSA-N 433.572 4.667 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760561693 JJFWWWJTUJSJCR-KRWDZBQOSA-N 436.025 4.697 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nc(C(F)(F)F)cs1 1763494803 CAOSGLGSBFLWQA-ZDUSSCGKSA-N 434.491 4.823 30 10 IJEE CCCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1765764676 GMANHTRRDXYSSM-RTBURBONSA-N 425.577 4.559 30 10 IJEE CCOc1ccc(CCn2c(C)cc(OCc3ccc(C#N)cc3)cc2=O)cc1OCC 1857923376 YGUWNSSRVWHAHL-UHFFFAOYSA-N 432.520 4.648 30 10 IJEE O=C(CON=C1CCN(Cc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 1860465509 DLARZPIJHBNEKD-UHFFFAOYSA-N 427.548 4.888 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(OC)cc1 1861365154 YLQGMQODWKCUNL-QHCPKHFHSA-N 428.548 4.652 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(Cl)c2)cc1C 1862402621 CSEGGBHZCSLDIQ-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862538387 MAUQAJZVRGGOID-HXUWFJFHSA-N 447.362 4.696 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862594832 HRQZTCPBJHOKPI-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1 1862621469 RCXHPAXIFFPVLG-QHCPKHFHSA-N 427.456 4.502 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC(C)C)c1 1862639839 IOXJHRSCKAXPFA-QFIPXVFZSA-N 441.499 4.857 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(O)cc2)cc1 1862686711 CPMBVOILCQUWSL-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2F)cc1 1862688643 XWJIIPNGFGRACS-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE N#Cc1cccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)c1 1862854109 MCYURFRFWSPYLW-UHFFFAOYSA-N 440.462 4.980 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3F)C2=O)cc1C 1863254240 SATVOTGTSNBSIP-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)cc3)C2=O)cc1 1863270577 PZUNDOBWASUMNE-GOSISDBHSA-N 437.499 4.829 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 1866698307 YYXUXESMXRPGDE-JWQCQUIFSA-N 440.547 4.593 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(C)c3C)CC2)nc(-c2cccnc2)n1 1868001012 CDNQPJZDDYYMRL-UHFFFAOYSA-N 440.595 4.660 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2C[C@H](C)Cc3cc(OC)ccc32)n1 1868246687 OYGSGGHKKWINOQ-QGZVFWFLSA-N 429.524 4.620 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(C)C 1868951046 YCILHBQYVNXBQY-PXDATVDWSA-N 440.534 4.828 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3ccc(Cl)cc3)n2)C1 1870023520 OMKAWUJIGNFQNP-IYBDPMFKSA-N 434.931 4.527 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870108808 ZHZXXGMINMAQCT-HSZRJFAPSA-N 435.531 4.780 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 1870145672 KQLNXKPMFQXGNL-GOSISDBHSA-N 447.539 4.847 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2cccc(N(C)C)c2)cc1=O 1870830695 WREJWWRBFXSTOM-UHFFFAOYSA-N 429.605 4.912 30 10 IJEE C#CCOc1cn(Cc2cccnc2)c(CNc2ccc(Cc3ccccc3)cc2)cc1=O 1871005409 FLDUAIQZNHGPHN-UHFFFAOYSA-N 435.527 4.507 30 10 IJEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871454664 QRUWJSTVONCSPA-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872267370 GJJIFVRDSSITJW-WMZHIEFXSA-N 444.597 4.624 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 1872770932 IJMQEWGIJZGIBS-OAHLLOKOSA-N 443.868 4.879 30 10 IJEE N=C(N)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 1873496074 ALTADWAODUMQJW-CCVNUDIWSA-N 444.926 4.589 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1 1873739848 OEQWHFYLRLRVLJ-UHFFFAOYSA-N 427.504 4.930 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccco2)cc1 1874293177 PKIUALCBDJSBLP-ZVHZXABRSA-N 434.521 4.942 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2C)n1/N=C/c1sccc1C 1874364006 HYIJGPUSOXNUPX-OEAKJJBVSA-N 442.610 4.669 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(O)c2)c1 1874481188 OMDQURCVDZEEER-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1c(F)cccc1Cl 1874651877 YISMKQBVSHVMJF-NRFANRHFSA-N 439.918 4.502 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] 1875112574 FKRQLSHPUYWTDC-MDWZMJQESA-N 427.453 4.994 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc2c(c1)OCCO2 1875146304 NSMNMIDKNFFLOP-QPJJXVBHSA-N 443.293 4.822 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Cl)c1OC(=O)COC 1875188057 MRWLVURZCLJTCR-BQYQJAHWSA-N 432.900 4.812 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1897766929 ZSAGVCYSOGBGKU-KSMMKXTCSA-N 435.487 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 1922046208 GOPVLXYFHXAHKN-FXSPECFOSA-N 446.632 4.668 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)c1nc(CCNC(=O)OC(C)(C)C)sc1C 1922079961 JZQFSTBZRXHJEJ-HXUWFJFHSA-N 431.602 4.552 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C 1924670048 JBIAQHZOIBSZKY-OALUTQOASA-N 430.511 4.973 30 10 IJEE C#CC1CCC(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC1 1984726227 YNTXZPNWIFXWSR-XYVRPBRGSA-N 444.575 4.858 30 10 IJEE C#CC[C@H](C)C[C@@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2020081665 IPCISPUUENZTDN-SYVJQLTCSA-N 428.617 4.858 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)c(F)c1 2080086541 CVSTWGMZYAWUGE-HNNXBMFYSA-N 432.240 4.929 30 10 IJEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(c2cc(Br)cc(F)c2C#N)C1 2118187898 ODOSIPOWBDAXCH-JSGCOSHPSA-N 426.330 4.589 30 10 IJEE Cc1ccc(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)cc1NC(=O)OC(C)(C)C 2124519068 GARRKXDNLYNWED-IAGOWNOFSA-N 442.365 4.506 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCCC 2126701360 YZKNICOWAVEGQZ-HZPDHXFCSA-N 433.337 4.717 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCN(Cc2ccccc2)C2(CCC2)C1 2153341590 RMKHZKBZEMQCMS-UHFFFAOYSA-N 446.444 4.535 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1cc(Br)cnc1C#N)c1ccccc1 2175015997 ZHRAVHOZNVLXGL-SFHVURJKSA-N 431.334 4.736 30 10 IJEE N#Cc1c(F)cc(Br)cc1N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 2193227646 AAWAIYSILHZNSY-CRAIPNDOSA-N 442.254 4.935 30 10 IJEE CN[C@@](C#N)(COc1ccc(Cl)c(Cl)c1Br)C1(Br)CC1 2206660226 PCOHWWRJPXJGRO-ZDUSSCGKSA-N 442.966 4.544 30 10 IJEE C[C@H](Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)c1ccc(NC(=O)OC(C)(C)C)cc1 2232253241 YXUIIYGAQXXWCJ-INIZCTEOSA-N 439.365 4.901 30 10 IJEE Cc1cnc(OCCCCC[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232302102 PCLRRYSBHIFTRX-GOSISDBHSA-N 448.413 4.542 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC[C@H]1CCCCN1C(=O)OC(C)(C)C 2235719023 MZVBSQRNBMDGPP-RBUKOAKNSA-N 435.406 4.958 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H](C#Cc2ccccc2Br)NC)C1 2235723090 BFAFLZJQZWRWHD-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255605507 MHXXDJKXJWUFFC-CALCHBBNSA-N 430.354 4.522 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C3CC(B4OC(C)(C)C(C)(C)O4)C3)ccc21 2267100633 UQHXGLFTVOXTPE-UHFFFAOYSA-N 442.365 4.795 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(F)c(F)c(Br)c(F)c1F 2267836969 DIUDXLFGAJHSNM-GLEZIHRCSA-N 441.263 4.865 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1c(Br)cccc1C#N 2269691569 XMGAAYKLXLMFOY-QGZVFWFLSA-N 430.293 4.767 30 10 IJEE CCN[C@H](C#CC1CCCC1)c1cc(I)ccc1Br 2273967979 UTJDPHPBGBHLNX-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE C=CCc1cc(C=C2SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1O 2293226886 KLUKDOFKYLEUPE-UHFFFAOYSA-N 440.477 4.664 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C1CC1 2296218197 BOCNEAUHBZEAHQ-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CC1(C)C 2296273079 NPAPBOMHQZSFBD-AVRDEDQJSA-N 435.406 4.862 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(N)C#Cc1cccc(Br)c1 2296273840 QYARCYLQBAAVQZ-PGRDOPGGSA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CCNC(=O)OC(C)(C)C)C(C)C 2296292787 CABPNCQWCKDKPF-WOJBJXKFSA-N 437.422 4.966 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CC[C@]1(C)NC(=O)OC(C)(C)C 2296307947 ARBJLSPYSZOAJS-QIJUGHKUSA-N 435.406 4.862 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)c3ccccc3)ccc2C1=O 2296867363 KIQUHKLEMDMIHT-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)C1(NC(=O)OC(C)(C)C)CCCCC1 2318920774 LBNIVTRLQAXMPM-JOCHJYFZSA-N 447.572 4.847 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)C=Cc3ccc(Cl)cc3Cl)CC2)c1 2321880604 ONEDRQBPWIVRLR-UHFFFAOYSA-N 428.319 4.756 30 10 IJEE CCCOc1ccccc1C=Nn1c(S)nnc1CCCOc1ccccc1Cl 2322234878 SRSSNSJHQXIKGR-UHFFFAOYSA-N 430.961 4.903 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4)cc(C)c3C2=O)c(OC)c1OC 2322660021 VAPSUFQHLUOWIW-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCCNC(=O)COc1c(C=CC(=O)c2ccc(OC)c3ccccc23)cccc1OC 2323020002 FBQDOAJMPIEWBM-UHFFFAOYSA-N 433.504 4.658 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccncc2)C3=O)cc1 2323936711 ACVXLKACTNSNHQ-UHFFFAOYSA-N 429.428 4.623 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)ccc2c1OC(=Cc1sccc1C)C2=O 2323992246 MZSZHWHVRWRFJP-UHFFFAOYSA-N 429.538 4.544 30 10 IJEE C[C@@H]1CN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)C[C@@H](C)O1 2324017404 MPOJKFAOYIUJMO-CHWSQXEVSA-N 434.319 4.924 30 10 IJEE Cc1cc(O)c(CN2CCC[C@H](CO)C2)c2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2324209908 KOHHFYGBLJFBDK-AWEZNQCLSA-N 448.346 4.828 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OCC 2324378642 SDXZZTFZCGXHHV-UHFFFAOYSA-N 426.509 4.939 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCCOc4cccc(C)c4)ccc3C2=O)cc1 2324522437 QWQPPFCFDVEXKS-UHFFFAOYSA-N 430.456 4.856 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 2324762509 REXMXYSQPHLZEE-SFHVURJKSA-N 435.461 4.625 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324893471 OYXLIYREHCJZBT-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc3c(c1)OCO3)C2=O 2325027671 ZKIOCSKHXQQEDI-UHFFFAOYSA-N 438.476 4.842 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OCCC(=O)Nc4ccccc4)ccc3C2=O)c1 2325474473 FISJUMPDARWCQM-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3cc(OC)ccc3OC)c2)c1 2325744328 MJWJELXQRMESQD-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(O)cc1O 2327751594 OYLIXUHCNFIEGI-UHFFFAOYSA-N 430.533 4.984 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)c1 2328619001 KNLZEPZHXATPQF-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(O)c(OCC)c1 2328754313 JDGWGTQOXAGQKM-UHFFFAOYSA-N 438.553 4.554 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccc(OC)cc1 2330131672 XPOLZHSYSHVNCF-VWLOTQADSA-N 436.596 4.913 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 2330531567 QDASJLLPEIERPZ-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1N=Cc1sccc1C 2330597351 SVGLJFLDMXEYOX-UHFFFAOYSA-N 447.655 4.999 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1 2331211980 JHFQIAVPQCBOQC-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 2331562801 FLTUYPTTZKXEHA-IBGZPJMESA-N 436.838 4.997 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(Br)c(OC(C)=O)c(OC)c2)cc1C 2331851684 SRDZUCTUILGPOJ-UHFFFAOYSA-N 433.298 4.905 30 10 IJEE Cc1ccc(COc2cc(Br)cc(I)c2)cc1C#N 2338883917 YDYGLAYXAGEVJK-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339598847 ISOUOLNGORXCND-VUDPSUQNSA-N 444.381 4.798 30 10 IJEE CC[C@](C)(CNCc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1)N(C)Cc1ccccc1 2343650935 FRUDOPFEQNLHAD-HHHXNRCGSA-N 436.449 4.685 30 10 IJEE CN(CCN(Cc1ccccc1)C[C@@](C#N)(NC1CC1)[C@@H]1CC12CCC2)Cc1ccccc1 2345020330 BTQXSSMUQDLSHK-XRKRLSELSA-N 442.651 4.825 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C/c2cccc(OC)c2OC)C3=O)cc1 2155793 DFVHOBQNRCKDCL-ZMOGYAJESA-N 446.455 4.590 30 10 IJEE Cc1ccc(C)c(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)c1 22691572 YLQRRMCYDRHCDM-FQEVSTJZSA-O 425.618 4.596 30 10 IJEE CC1CCN(S(=O)(=O)c2cccc(-c3csc(N/N=C/c4ccccc4)n3)c2)CC1 33960066 AXWGSBPZHAPDQI-HZHRSRAPSA-N 440.594 4.677 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 35444250 YEKLIQHYPORJGA-YUKPMKIRSA-N 429.472 4.856 30 10 IJEE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825172 URPLAHMGVAQLAK-ZXVVBBHZSA-N 432.549 4.545 30 10 IJEE C#CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(OC)cc2)cc1 64796807 DDLALIQBWNKBJT-GOSISDBHSA-N 433.485 4.608 30 10 IJEE CSc1ccc(NC(=O)N2CC[C@]3(C2)Nc2cccnc2N/C3=N\C2CCCC2)cc1 96310039 FLMYJQQITJJISH-HSZRJFAPSA-N 436.585 4.659 30 10 IJEE biogenic CCCCCCCOc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C(N)=O)cc1 100154116 JALZHXGEIHMDTD-UHFFFAOYSA-N 447.626 4.940 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 102706071 DOSPTHNIVLAMQZ-RKKARLDVSA-N 432.476 4.705 30 10 IJEE Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)s1 102723122 CRFLMKZIZZHIQV-CFBLSMTOSA-N 446.315 4.780 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccccc1OC 169946436 QDXHPGXKDDTKBB-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(O)cc2)c(C)c1 169962965 KXPPEBSAUGIDDC-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccncc1 170022406 UUQHZSWHMTYNSW-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 170055217 HXVYEDJKJJDGMJ-QFIPXVFZSA-N 446.434 4.555 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170076946 ULAVHERNPHSWTF-DEOSSOPVSA-N 448.482 4.823 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@H]3c3ccco3)nc2c1 170098355 QLNWVFRGCXDKEX-OAQYLSRUSA-N 438.443 4.729 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)c1 170133347 XSABFUOSRFSLIQ-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 170134391 IVRXANUNCLQDDB-QHCPKHFHSA-N 447.487 4.799 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc(C)c1 170145836 GJBVBTJWDNBIGP-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccccn2)cc1 170174215 BNNZHXXVZWMUFD-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)c1 170211965 IYIZUYOPHVQARV-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1 170227573 OGHSFZGHMTWOPN-VOIUYBSRSA-N 441.483 4.802 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccc1 170229335 WRECYYPYCPNYBF-NRFANRHFSA-N 439.389 4.895 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 170231225 VVPUXRFKCPZMSX-DEOSSOPVSA-N 442.515 4.895 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268516 LMBCJLZMVHUPMA-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccco2)cc1C 170280222 DHYBGPQORZRNNM-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccco2)cc1C 170295544 GILFNWQAVTVVSN-JOCHJYFZSA-N 441.524 4.770 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(C)o2)c1 170299375 GHUIEZNEBUPVSW-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)cc1C 170305336 QCEHYDJBHFYBBA-QHCPKHFHSA-N 442.471 4.868 30 10 IJEE CCCCCCC[C@H](NN)c1cc(I)ccc1Br 232938187 VCNAFNDPFJKLDO-AWEZNQCLSA-N 425.152 4.919 30 10 IJEE C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(CCCOC)C2=O)cc(OC)c1O 252628378 SOROETFWHRVLEX-CHLWQFSPSA-N 438.549 4.770 30 10 IJEE CC(/C=C/c1ccccc1)=N\Nc1nnc(SCC(=O)OC/C=C/c2ccccc2)[nH]1 253570173 NGQZLCRJBCHFEE-FTIRBADGSA-N 433.537 4.655 30 10 IJEE CCCCSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)[nH]1 253575926 VEXBOEVNCPJWQM-XQNSMLJCSA-N 438.605 4.627 30 10 IJEE N#Cc1ccccc1NN=C1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1c1ccccc1 254743913 PIXMSMBKWDITDO-UHFFFAOYSA-N 448.511 4.901 30 10 IJEE O=C[C@@H](Cc1cc(O)nc2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 309663110 NHYAERSLYNZRDN-GOSISDBHSA-N 438.483 4.589 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2CCC(C#N)CC2)c([N+](=O)[O-])c1 440641903 CCLVAMXUPPYBCH-UHFFFAOYSA-N 442.541 4.552 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 460947865 SWPBWHZYBWMJKQ-JOCHJYFZSA-N 448.567 4.812 30 10 IJEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)c2)c1 463275778 XAPNIVCRRUEXJG-UHFFFAOYSA-N 449.470 4.990 30 10 IJEE CN1CCC[C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1 465584859 HZWNKDOVWAQPNF-YLJYHZDGSA-N 435.515 4.501 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1)c1ccc(F)c(F)c1 477191389 IMKDHMVFHUYXIB-GAJHUEQPSA-N 430.495 4.805 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCOc2c(Br)cccc21 504043673 SBQNEITVSKOQKL-IBGZPJMESA-N 447.377 4.838 30 10 IJEE COc1ccc(CCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1OC 520706663 DLBGMAAXQDFOLU-UHFFFAOYSA-N 434.467 4.869 30 10 IJEE COc1cc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)ccc1O 526489678 XLQXTKABEAVTMQ-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(Sc3ccccc3)C2=O)cc1 526658333 FIFZAZYQLBHESF-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)cc1C#N 539217724 LMIDMZHDFMZXAD-OAHLLOKOSA-N 441.862 4.934 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C 553453882 MCQWECBORHWIFR-DHLKQENFSA-N 447.583 4.641 30 10 IJEE N#Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 585167222 PPMZBTWPDXKDHY-UHFFFAOYSA-N 437.868 4.677 30 10 IJEE C=CCCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(OC)ccc1OC 586250198 XIVNTEZTCVPIBP-UHFFFAOYSA-N 444.597 4.712 30 10 IJEE C=CCOc1c(Br)cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)O)cc1OCC 609337091 WBDJSWKKWAIZJE-AATRIKPKSA-N 449.257 4.584 30 10 IJEE Cn1c(COc2ccccc2Cl)nnc1SCc1cc(Cl)ccc1OCC#N 735231670 YTIRTQWFWVIWJO-UHFFFAOYSA-N 435.336 4.896 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CCC(CCC(=O)OCC)CC2)c1=S 747817115 PHFHWMABPFWFBM-UHFFFAOYSA-N 428.602 4.588 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=S)NC2CCOCC2)=C(/O)c2ccc(C#N)cc2)cc1 762440713 TVSYHBZPPAVTMK-UHFFFAOYSA-O 436.601 4.729 30 10 IJEE N#CCc1ccc(NC(=O)COC(=O)c2csc(-c3cccc4ccccc34)n2)cc1 778190983 IYNHMGINATWWJW-UHFFFAOYSA-N 427.485 4.825 30 10 IJEE N#C[C@H](C(=O)CN1CCCCC[C@H]1/C=C\c1cccs1)c1nc(O)c2ccccc2n1 783030001 DZDXRCVAUFSDTL-VUFZRNBRSA-N 432.549 4.531 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1125778980 BOZOQRCOYNFHIF-JTHBVZDNSA-N 436.527 4.796 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1csc(I)c1Br 1127519460 LTSXIRMPSRXMOL-MRVPVSSYSA-N 428.133 4.590 30 10 IJEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(COc2ccccc2C#N)c1 1127780568 CGGMOCCLOIAILU-UHFFFAOYSA-N 427.548 4.778 30 10 IJEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)c1ccc(Cl)cc1 1141799420 JKDDRQQGCXRRPZ-QFIPXVFZSA-N 438.936 4.554 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3cccn4cc(C(F)(F)F)nc34)c2)s1 1147390126 FXQOXAPJAKGIAN-UHFFFAOYSA-N 426.423 4.883 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 1151866582 DWDWBPQBALKSPH-QFIPXVFZSA-N 432.486 4.975 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4C)cc3)cc21 1157639590 GALNSNUBPIFBHN-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncccc1OCc1ccccc1 1161358152 VXBWGEIOKFLTGX-LJQANCHMSA-N 425.529 4.849 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(CCCN2CCCC2)CC1 1192399769 BRCFKSLQMVTIKR-IBGZPJMESA-N 442.673 4.804 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1ccc(I)cc1OC 1205554472 ISBFYEAXKCLWOJ-UHFFFAOYSA-N 428.295 4.581 30 10 IJEE C#C[C@H](NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)c1ccc(Cl)cc1 1206090912 CJJXLBWLMQWPJN-RXVVDRJESA-N 428.960 4.955 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1noc(-c2cccc(Br)c2)n1 1216891683 PDVKPCGRAOUGGG-UHFFFAOYSA-N 427.302 4.939 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(Cl)cc1F 1222666455 NPNFUDWCQGBDLH-UZUQRXQVSA-N 427.951 4.885 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1227841073 GQIPUCJABIPXDW-FXAWDEMLSA-N 429.351 4.821 30 10 IJEE C#C[C@@H](NC(=O)N(CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1F 1230505410 QTAVVIBPMOGRPF-QFBILLFUSA-N 437.943 4.584 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2CCCC[C@@H]2C1 1286336340 JBLWLINOIXTWDN-HSZRJFAPSA-N 449.643 4.767 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccsc1)N(CC)CC 1286368627 WXSZMUJYMMPOCC-FQEVSTJZSA-N 428.005 4.813 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN(C(C)C)C1 1286450696 GCJGXAQQVGYAQF-DHIUTWEWSA-N 437.632 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1csc(C(C)C)n1 1286526030 VCYVYUSHADAWQX-JOCHJYFZSA-N 425.627 4.745 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CCOCC(F)(F)C(F)F)CC1 1286653583 BJUAGVLVFIDENK-UHFFFAOYSA-N 426.458 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnn(C)c1 1286668879 VVRAMERLYRGGPO-UHFFFAOYSA-N 430.503 4.519 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286771611 AIMYXHZRYKERGS-IRXDYDNUSA-N 437.357 4.673 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1286829306 WUCCEOQRGMAEHS-UHFFFAOYSA-N 430.581 4.608 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)C2(C)CC2)c1 1289494182 PQULZVNYQNSLAY-MRXNPFEDSA-N 432.973 4.640 30 10 IJEE CN(C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1Cl 1290013298 IFESREMZWXOAPM-XMMPIXPASA-N 433.939 4.823 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN(C)C1CCCCC1 1300430473 NATFWCUTUGNHHQ-JOCHJYFZSA-N 437.632 4.759 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCCC1(F)F 1300443546 JMELKQDGGAHDCH-INIZCTEOSA-N 437.332 4.911 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1300874552 KVKXMHYHIMIVMK-HJNYFJLDSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1300879136 AKMYGCJGLIPTNU-WJPUGNRLSA-N 427.499 4.730 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Cl)=C(Cl)C1 1301206517 DDRGQFHFBWEOOZ-UHFFFAOYSA-N 431.165 4.901 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OC(C)C)nc1)C1CC1 1301334473 MSGCSRYIAYMZFD-IFMALSPDSA-N 439.604 4.582 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCCC1 1301351444 SYFHFYRUXPGRMT-HXUWFJFHSA-N 448.590 4.712 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1301956251 HGQIHYCYGAWLHH-GUDVDZBRSA-N 429.012 4.562 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1304746966 OTMLPPJZMOZJMR-SSEXGKCCSA-N 446.594 4.895 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnc1-c1cccc(Cl)c1 1307321796 NHPVWZXLDOSGAS-FQEVSTJZSA-N 449.967 4.944 30 10 IJEE N#Cc1cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Br 1307405900 HZPFAVMKJJKJOV-UHFFFAOYSA-N 437.293 4.917 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1312223196 KLSDVHRYILPOPF-SFHVURJKSA-N 427.545 4.806 30 10 IJEE C=CCC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1 1348066188 LBBLAQZXVLRZIR-JOCHJYFZSA-N 426.582 4.858 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 1352661688 SOAJBKOMRXCGTQ-UHFFFAOYSA-N 438.981 4.895 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 1357587773 VAGYTHKIGNAPNH-QGZVFWFLSA-N 434.540 4.925 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1 1358905619 GIJBNGSKISPQAK-UHFFFAOYSA-N 426.362 4.641 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359052218 YHMGHEQTQBZUHM-NQIIRXRSSA-N 449.451 4.894 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCCCN1CCCCC1 1359072277 VZMIPSJUVFZMAW-AREMUKBSSA-N 437.607 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](OC)C(C)C 1359074936 XMLLDLDXNKUJIN-DENIHFKCSA-N 433.021 4.887 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1359173242 AEFVZMVPZLARQA-CUWPLCDZSA-N 428.552 4.511 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCCC)CC1 1359203802 WCGWXILKZMTXAV-REWPJTCUSA-N 440.588 4.932 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1359204734 ZJSGEFDNXCUOHH-UHFFFAOYSA-N 428.606 4.960 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1CC 1359223775 WEGPDTMXGRARJR-INIZCTEOSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCc1noc(CC)n1 1359262721 BZVJNQOOXLXDMO-UHFFFAOYSA-N 438.532 4.526 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H](c1ccco1)N(C)C 1359269032 MEVTVQYEQPHPAV-NRFANRHFSA-N 428.540 4.568 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC(F)(F)C1 1359276695 MTBODGIJIAESFU-UHFFFAOYSA-N 443.454 4.727 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@]2(CC=CCC2)C1 1359290510 DPJNNQGDLLTMHG-YADARESESA-N 427.593 4.863 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCSC1 1360480447 AAXMFJYDXPAETE-KBPBESRZSA-N 440.400 4.655 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 1435137068 PGGQDCGIUOYPQC-URXFXBBRSA-N 430.529 4.801 30 10 IJEE C=CCC1(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CCCCC1 1436261063 VLFDRLIEYRSPES-UHFFFAOYSA-N 433.581 4.817 30 10 IJEE C#C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(Cl)cc1F 1436652404 GUOAWLRFRAUTEL-QGZVFWFLSA-N 426.738 4.966 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 1443629207 HHRWSXURCRYTJV-ZWKOTPCHSA-N 436.524 4.572 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CC(F)(F)F)c3ccc(C)cc3)n[nH]2)c1C 1447349498 SPJBGBDNLSLMHO-LJQANCHMSA-N 431.462 4.808 30 10 IJEE C#CCOc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)cc1 1460187639 NDWKTGQOLMSMOG-UHFFFAOYSA-N 440.330 4.610 30 10 IJEE C#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CCC2 1468557832 KKOVJVKALHKCSA-PUWPPSGDSA-N 430.935 4.879 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 1468936776 GBTBNEJNVYJEND-BCHFMIIMSA-N 434.399 4.641 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1469857835 YRISOKDUISUEEF-XPGWFJOJSA-N 437.531 4.917 30 10 IJEE C=CC[C@H]1CCN(C(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1470435718 SOTAZILOUXJNRQ-VQTJNVASSA-N 432.564 4.976 30 10 IJEE C=CCn1c(SCC[C@H]2COC(C)(C)O2)nc2sc(-c3ccccc3)cc2c1=O 1472967470 HFFRVXOYULFSFB-INIZCTEOSA-N 428.579 4.945 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccc(Br)cc1Cl 1474891006 GYZLRCWALUPZIP-UHFFFAOYSA-N 441.778 4.715 30 10 IJEE N#CC1(CS(=O)(=O)N(Cc2ccccc2Br)C2CCCC2)CCCCC1 1475089042 FAINMAYGEVGROH-UHFFFAOYSA-N 439.419 4.998 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC2CCOCC2)CC1 1505320184 FZBFNTGYVFCVFT-UHFFFAOYSA-N 431.943 4.684 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1507593806 HJUFQIYGGCEDSZ-JOCHJYFZSA-N 435.597 4.592 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(CC)Cc1cccs1 1507746669 FEHCJRVOVLWONJ-UHFFFAOYSA-N 433.606 4.948 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@@H](C)CC 1507749033 OVTMQCXYDPYBKJ-AWEZNQCLSA-N 439.398 4.695 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507786464 ZVWLIDSKMQKPAB-TXEJJXNPSA-N 429.284 4.720 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCOC(C)(C)C 1507795239 KIJWTVFDQFPTPE-REWPJTCUSA-N 449.599 4.726 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 1507825512 YJVQTYTWMOKOKG-OAQYLSRUSA-N 434.563 4.647 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1507838120 ZYEBDWWEKLVFRA-QZTJIDSGSA-N 431.378 4.535 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2c(CC)noc2C)CC1 1507881755 XZXIYNOTNVAQAX-UHFFFAOYSA-N 448.390 4.833 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCCN1CCCC 1507975052 MHDMGFKIKKLMAW-HXUWFJFHSA-N 446.437 4.984 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H]2CCO[C@H](C)C2)C1 1508112968 SUCMALWRKSXFPY-CEXWTWQISA-N 430.980 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCC(=C)C)C1 1508119484 ZZQJVZIPEZCWRW-QGZVFWFLSA-N 437.371 4.626 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N)OC 1512747201 BVRWAAGLFAPJCA-BMFAXAFESA-N 429.634 4.931 30 10 IJEE C=CCC[C@H](C(=O)NCCc1cn2cc(Br)cc(C)c2n1)c1ccccc1 1521598726 CQFGPDCDODMSPQ-FQEVSTJZSA-N 426.358 4.814 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1(c2cccc(F)c2)CCOCC1 1524983589 QSIBECYQKXGONK-UHFFFAOYSA-N 434.305 4.840 30 10 IJEE CC(C)(CC#N)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1527971603 CXEFBJVNTGZCTM-UHFFFAOYSA-N 437.341 4.971 30 10 IJEE CCc1c(C)sc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1C#N 1529661474 GEINLZBPHNUPOY-SCLBCKFNSA-N 436.364 4.956 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)CC2(C)C)c1 1533710005 QZXWXOKTSCEVFT-QGZVFWFLSA-N 447.000 4.982 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@H]2CCCC2(C)C)ccc1F 1533712415 CUEFNANXRQKBHW-QFIPXVFZSA-N 444.572 4.511 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H](C)c1cccs1 1539097519 PSACLSVDMQKLBZ-INIZCTEOSA-N 440.569 4.643 30 10 IJEE Cc1cc(NC(=O)COc2cccc(Br)c2C#N)cc(C)c1Br 1539295419 HEYLTHAPDCFDLK-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCSC1 1539298975 BTPORJYOTSYILD-LJQANCHMSA-N 447.633 4.593 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC2(CCOCC2)C1 1539504681 LGCUJWZWSFHRMU-UHFFFAOYSA-N 448.995 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1Cc1ccnc(OCc2ccccc2)c1 1539534622 VDFFFRRWRJFBHD-FQRUVTKNSA-N 429.568 4.806 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1539624986 XQGNJXNYEREJKJ-IEBWSBKVSA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(C)c1 1539651443 GJAPTLDLOILSCW-UHFFFAOYSA-N 442.405 5.000 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC(F)(F)F 1539731037 WKKXADNNFFRFBJ-UHFFFAOYSA-N 433.478 4.783 30 10 IJEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539824700 ZMLBWAHFOQCWQP-FPOVZHCZSA-N 445.007 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCOCC2)C1 1539909236 IUOZEROYQGLFEI-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NCCCC)CC1 1539911184 YBIZRARKPIKCJH-UHFFFAOYSA-N 441.595 4.819 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(OC(C)(C)C)nc1 1540065465 DCUSBZLUCSWWON-UHFFFAOYSA-N 430.556 4.680 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCCO[C@@H](C)C1 1540909176 ABEYFFCRPXBLDJ-AZUAARDMSA-N 430.618 4.569 30 10 IJEE C#CCN(CC(=O)Nc1ccc(OCc2ccccc2Cl)cc1)C(=O)OC(C)(C)C 1542169938 GZEHWSJHBOSKIT-UHFFFAOYSA-N 428.916 4.728 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H]2C(C)C)c1 1542859798 AILAORMNDDYMDB-IRLDBZIGSA-N 435.597 4.884 30 10 IJEE Cc1nc(CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@](C)(C#N)C2)cs1 1542937698 AIXSZXUKOPPXPT-OAQYLSRUSA-N 426.977 4.736 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H](C)C2)C1 1543596696 IECVXNZHSYZBRX-LNRXMEIDSA-N 434.632 4.667 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2CC)cc1 1544318967 OTLKASMVAKRXRB-UHFFFAOYSA-N 440.341 4.692 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1CC1CCC(C(F)(F)F)CC1 1555555656 GWHKRSTZWWRIMN-UHFFFAOYSA-N 439.482 4.582 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)c1ccc(Cl)cc1 1556907060 BPSYOWCXXNQKSY-HSZRJFAPSA-N 429.907 4.979 30 10 IJEE O=S(=O)(c1cc(F)ccc1Nc1ccc2c(c1)CN(CC(F)(F)F)C2)C(F)(F)F 1559207231 GLQUZTOSNPZJHP-UHFFFAOYSA-N 442.356 4.741 30 10 IJEE CN(Cc1ccc(F)cc1C(F)(F)F)C[C@H](O)COc1ccccc1C(F)(F)F 1560645768 DOPUDSVGQTZMAM-AWEZNQCLSA-N 425.344 4.735 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 1567926475 NWMQUDFFENVYEW-OAQYLSRUSA-N 436.543 4.996 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 1569724892 IPWIWQZTMJXTAJ-PKOBYXMFSA-N 426.586 4.535 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1584688113 SIYIBEWVHHLHSP-JOCHJYFZSA-N 447.332 4.735 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1OC 1587153332 YGIQVKNPJFDLKL-CYNGKWMKSA-N 446.591 4.692 30 10 IJEE Cc1cc(C(=O)Nc2cccc3c(Br)ccnc23)nn1-c1cccc(C#N)c1 1587522505 GQNFADXPGWEPII-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)C)cs1 1587561952 JFAUCPMJILHGHR-JKSUJKDBSA-N 427.549 4.643 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 1588167915 KMNDFLNZMVZFKM-UHFFFAOYSA-N 427.504 4.871 30 10 IJEE C=C(Br)Cn1c(CC)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1589421030 CPDRVPHRJIXCBE-OAHLLOKOSA-N 446.176 4.634 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCn1cccn1 1589506011 QOAHCGGWZMAWKV-FYYLOGMGSA-N 448.615 4.557 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCN(C)C2CCCCC2)CC1 1594127880 JEFYOADZBNUBJX-UHFFFAOYSA-N 437.632 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCCOC2)C1 1594461074 HYEWACKZCFTZAD-OAQYLSRUSA-N 448.409 4.645 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(C)n(C)c1=O 1594552215 JISPCUGMLFDFLD-UHFFFAOYSA-N 445.567 4.929 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1594661256 SWYVANJFAKSCRZ-TZIWHRDSSA-N 428.625 4.540 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCN1CCCC 1594885700 MLFILGUXIPECHA-HXUWFJFHSA-N 446.437 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1cccnc1OCCC 1594886180 XUNINTCPHAODQQ-UHFFFAOYSA-N 428.540 4.656 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cccnc1OC 1594907776 YDWOCNCQNWBKRQ-UHFFFAOYSA-N 435.528 4.887 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C)n1 1595075848 LWWNEAIBGNTHMK-DEOSSOPVSA-N 447.583 4.667 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@H](C)N1CCC[C@H](C)C1 1595134157 TXBDUGWHFBWINE-PMACEKPBSA-N 425.596 4.683 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1Cc1ccnc(SC)c1 1595243573 ASVHHDCUSMKDHF-UHFFFAOYSA-N 435.553 4.840 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595844901 JGFGKRNYGHLQHQ-VGOFRKELSA-N 437.613 4.582 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)C1 1608088489 ARXNVNXBNXPSCA-RPLLCQBOSA-N 448.659 4.704 30 10 IJEE C#CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 1611012714 BLVXUIFZFGDJKC-UHFFFAOYSA-N 434.337 4.787 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2nccs2)s1 1612347923 HHYBIJDMARGVQR-OAHLLOKOSA-N 449.609 4.521 30 10 IJEE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCc5ccco5)CC[C@@]43C)[C@H]1CC[C@@H]2O 1614467922 VUKILELVYWEYTE-NHBSGYCTSA-N 440.584 4.592 30 10 IJEE C=CCCC1(CNC(=O)CCOc2cccc(I)c2)CCCC1 1617484593 UILJSIUHTRNFND-UHFFFAOYSA-N 427.326 4.703 30 10 IJEE O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 1623899683 GPSMCQSAMBROIN-QGZVFWFLSA-N 449.370 4.980 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1OC 1624022724 IPVIWLNYYHBWDD-JLTOFOAXSA-N 434.330 4.529 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)cc1 1627347122 ZSDVNISTYGTAHL-HXUWFJFHSA-N 430.342 4.929 30 10 IJEE C=CCC[C@H](NC(=O)C[S@@](=O)c1cccc(OC)c1)c1ccc(C(F)(F)F)cc1 1631195278 RSAHQHVUKHUZNO-ADXZGYQBSA-N 425.472 4.645 30 10 IJEE C=CC(=O)Nc1cccc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)c1 1633548169 XSCXRRCNSNROME-UHFFFAOYSA-N 442.324 4.516 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CC(c2ccc(C)c(C)c2)=NO1 1634896184 QAVLIKHOOGNLAB-SFHVURJKSA-N 432.442 4.810 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 1635262176 YEWDPYVLWYFZGT-LJQANCHMSA-N 449.494 4.522 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)CC1 1637449026 CJWSGXAPLXIMCD-UHFFFAOYSA-N 442.485 4.920 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1(C)C 1638563750 HKNZGJVIIDOYQC-VXKWHMMOSA-N 449.551 4.967 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)cc2n1 1639187577 RJIHUOVYRMWKQC-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)c2ccc(Br)cc2C#N)c1 1644804648 GELBAXLVWLDQLN-UHFFFAOYSA-N 448.292 4.737 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC1CCOCC1 1649540068 TYOBWSAXZZBIED-LJQANCHMSA-N 431.584 4.627 30 10 IJEE C#CCN(Cc1cc(F)c(OC)cc1OC)[C@H]1CCOc2ccc(Br)cc21 1651991958 CTBRTIQSBHJABY-SFHVURJKSA-N 434.305 4.564 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccccc3OC)C2=O)nnc1-c1ccc(Cl)cc1 1652406475 VWEVYGXFLPGGNE-IBGZPJMESA-N 440.956 4.691 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2cc(F)cc(Br)c2C1 1654421646 QEFQBPXBUIUFGH-AWEZNQCLSA-N 437.378 4.611 30 10 IJEE C#CCN(Cc1cc(OC)c(C(=O)OC)cc1Br)[C@@H]1CCCc2ccccc21 1654895429 PSVITHVPQKCMMJ-OAQYLSRUSA-N 442.353 4.757 30 10 IJEE C=CC[C@H]1CCCN(CC(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)C1 1655009832 FPYGISIHICZFCL-GBXCKJPGSA-N 431.580 4.713 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1ccc(Cl)cc1I 1657273564 QUZCIJDRFCWJDH-UHFFFAOYSA-N 446.115 4.900 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1OC 1657957778 IWHZCTZDSDGGLF-OAQYLSRUSA-N 446.378 4.949 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(C(F)(F)F)cc1 1660207326 WYQLRAYQZJBZRJ-KRWDZBQOSA-N 434.397 4.649 30 10 IJEE CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)oc12 1661140908 BAXHKQFETMZSHT-LBPRGKRZSA-N 438.427 4.761 30 10 IJEE C#CCOc1ccc(CNCc2cc(Br)ccc2OCc2ccccn2)cc1 1662487789 CIJIZRRHHXEWBH-UHFFFAOYSA-N 437.337 4.725 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1666452790 LAIKARBCXHSWNT-WYQAVIRWSA-N 445.629 4.752 30 10 IJEE COc1ccc2c(c1)OC[C@H](NC(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 1667514104 GCXGACSPROQQLF-GOSISDBHSA-N 433.439 4.623 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)OC)c1ccc(F)cc1 1671267826 FCQOMNOVLPSRNW-OAQYLSRUSA-N 432.451 4.687 30 10 IJEE C=C(C)[C@H](NC(=O)N(Cc1ccccc1OC)C[C@H]1CCCO1)c1ccc(F)c(F)c1 1671852093 QEQXIQGFOXKDNH-XXBNENTESA-N 430.495 4.981 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)[C@H]1CCCO1 1673342651 NXOCQUOPMVAFST-RBUKOAKNSA-N 433.277 4.683 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCCCCSc1ccccc1Br 1678937285 CHJAYEANCWMBIY-UHFFFAOYSA-N 447.398 4.833 30 10 IJEE COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1680010225 HXNIWGTVBKGNST-NIYFSFCBSA-N 442.563 4.897 30 10 IJEE C#C[C@H](NC(=O)NCc1ccnc(Oc2ccccc2)c1)c1ccc(Br)cc1 1682356325 FMAOHDSJAFNRNO-FQEVSTJZSA-N 436.309 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCCC1 1689827506 GHUGJGGTRCLMDV-UNMCSNQZSA-N 437.632 4.757 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1689875555 VUQZDCTZLNDIBE-NRFANRHFSA-N 439.629 4.529 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)c(OC)c1 1690063962 VZUAQOLPJMIBAU-KRWDZBQOSA-N 434.609 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1690235606 BOBXJMBNYJHIFN-FHJLPGHOSA-N 442.604 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC1CC1 1690241352 RERCFIMETBKAMG-UTKZUKDTSA-N 430.980 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1ccncc1 1690258392 DUOCWIHWPDJMHK-UHFFFAOYSA-N 432.391 4.809 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1CC1(C)CCOCC1 1690271273 JYBVKOZCGYHSAT-UHFFFAOYSA-N 430.618 4.798 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N(Cc1cccs1)C1CC1 1690354111 FONKACHWKBYBHI-UHFFFAOYSA-N 430.961 4.849 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1690365604 ANZSCPLTKIKQGG-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC)[C@H](C)C1 1690422369 MVFRGNILUPRHQY-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCCN(C(C)(C)C)CC1 1690436136 LCLWEOBVNRXPKR-UHFFFAOYSA-N 439.648 4.813 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC2(CCOCC2)C1 1690454160 WJDGVODCHCSVHZ-UHFFFAOYSA-N 448.409 4.789 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1Cc1ccc(F)cn1 1690609460 OXMUKBSSPJDDPQ-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](OC)c2ccc(Cl)cc2)C1 1690689344 BZLYPTDALIWUMK-PZJWPPBQSA-N 442.947 4.669 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1690737864 ZXUAAEWLASDUSN-MSOLQXFVSA-N 430.618 4.896 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2C[C@H](C)O[C@H](C)C2)cc1 1693157874 CXDYMXUFKBBBRP-HAGHYFMRSA-N 427.618 4.821 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccc(C)s1 1705607262 XKIXWOQPLUSFKM-UHFFFAOYSA-N 445.386 4.594 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](OC)[C@@H](C)CC 1705669650 RXICXERTBYWRHI-YPAAYVHUSA-N 431.584 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C)[C@@H](C)C1 1705710601 YTBISVYQVXOENO-JBAWTIAASA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC(C)(C)c1ccc(OC)c(OC)c1 1705715193 WBRSOKASAFEGDH-UHFFFAOYSA-N 437.588 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705720026 UZVZHOHONRDGMD-NFBKMPQASA-N 439.648 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1705788392 ZBKUMYSLPZKBBX-KRWDZBQOSA-N 428.577 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1705836827 HESLSYYPXMGSBM-QGZVFWFLSA-N 439.560 4.817 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCOC[C@@H]1C 1705871274 DHWKMYDEKKTJCL-HOTGVXAUSA-N 449.368 4.698 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2sccc2C)C1 1705914938 GZWXFRRVWRAQAJ-XLIONFOSSA-N 442.560 4.757 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CC 1722314882 SCRGFCMSANDDKD-LJQANCHMSA-N 434.588 4.522 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H](OCC)C1 1722326092 DFCZPLMUQMOMSZ-FQEVSTJZSA-N 435.597 4.796 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(CC)CC1 1722326104 FDTJKKCXOKOSSK-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722334950 JIVWRUSFQZZVSJ-MRXNPFEDSA-N 433.002 4.637 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(C)[C@H](C)CC 1722374923 DKPWBKRYQNXWMA-LJQANCHMSA-N 449.599 4.616 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1722560607 FSMXVSSZLVPQES-OALUTQOASA-N 440.588 4.954 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1722577584 KUKXXGXLRZCXGY-OAQYLSRUSA-N 429.559 4.919 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3ccsc23)CC1 1722584874 ZKYJAZQKCSMCIK-QGZVFWFLSA-N 439.633 4.725 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1722644542 FURMLYTZMPPCHS-PLACYPQZSA-N 431.669 4.575 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1722685967 PCPVNLGNGLEHOU-GUDVDZBRSA-N 449.665 4.689 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(C)(C)C)C1 1722713561 FNJZBCZDGYIDBC-INIZCTEOSA-N 436.398 4.643 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C)(COC)CC1 1740567653 NBSYSTIMMKLUEB-IBGZPJMESA-N 428.552 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(F)F)c1 1740659822 VEKOWDCSEHITMW-NHCUHLMSSA-N 440.538 4.646 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1740671942 SFLNYXAGTYTZPS-BXWFABGCSA-N 434.462 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1Cc1ccccc1 1740843930 TUUDXQMKSRVFDD-OAQYLSRUSA-N 444.583 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C)(COC)CC1 1740847167 ZAQRUPCCXYYKDS-UHFFFAOYSA-N 426.561 4.529 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@@H]1C 1740855251 FLJOWPSMRMYCQT-FPOVZHCZSA-N 440.588 4.572 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(C)(C)C)CC1)c1ccccc1 1740856624 WUOIWKRZCZTDKW-DHIUTWEWSA-N 437.632 4.800 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCn1ccnc1C 1740892936 RCMZXONROKMBRP-UHFFFAOYSA-N 447.612 4.985 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN1CCCCC1 1740921013 IYISDEXZMBLXKI-FQEVSTJZSA-N 436.579 4.727 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1CCN1CCC[C@H]1C 1740922289 BHNOIXVINNNJRX-LJQANCHMSA-N 437.613 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(CC)C1 1740922312 CANPFXMQDCOSFR-QGZVFWFLSA-N 443.020 4.589 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CSCCS1 1740925009 DQOMRSYHQITMFL-APWZRJJASA-N 434.606 4.584 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCc3ccccc3CC2)nnc1C(C)(C)C)C(C)C 1740926781 KZYGHVOGVQYBAX-DEOSSOPVSA-N 435.660 4.879 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1740944416 HKKHTBRJZHEFOH-SJKOYZFVSA-N 437.769 4.551 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1740997986 GQJPEAOBOHMVBA-HXUWFJFHSA-N 444.988 4.997 30 10 IJEE CC1(CCn2c(-c3cc(F)ccc3Br)nnc2N2CCC(C#N)CC2)CC1 1742007425 BFVAGAIVMGPVPQ-UHFFFAOYSA-N 432.341 4.777 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1748751232 URPWNNFZOXJICL-UHFFFAOYSA-N 431.506 4.695 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749106660 HQXBPNJDABHMFV-CABCVRRESA-N 428.378 4.741 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1Cl 1749232149 DQPZOJBGCBSNPO-UHFFFAOYSA-N 431.993 4.516 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1749335159 LZYZSCBMAODUEL-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)C)CC1 1749391075 PRTDAQWLFSGIGE-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C\c1ccccc1 1749486758 GKUZAMPYNQTZIS-IUAWBRRGSA-N 437.588 4.728 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1749617799 PGDWVRXFCYTGTH-IBGZPJMESA-N 444.023 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1760118889 PANCLAIQDHOMGV-WDSOQIARSA-N 434.506 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)CN1CCCCC1 1760291225 GZXVLPQCAGCITF-MHECFPHRSA-N 443.998 4.852 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC=C(C)CC1 1760447670 PMQWRAAGWUECQE-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(OC)CCCC1)C1CC1 1760470236 YLSRHCCBLYENQH-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC(C)(C)CN1CCCC1 1760483070 CJLNCFBTQPQIER-UHFFFAOYSA-N 436.579 4.727 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC1CC(C)(C)C1 1760483180 HTPBIUCIIMMYHK-UHFFFAOYSA-N 448.546 4.693 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cc(C)on1 1760491351 DBLGVFSWIHEDOL-UHFFFAOYSA-N 448.752 4.884 30 10 IJEE CCN(CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)CC#N)CCC(F)(F)F 1765231591 FHZSHSFBLLPBGN-MRXNPFEDSA-N 448.493 4.704 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CCCCC1 1769758389 FKXNQMPUCOZQSB-QZTJIDSGSA-N 429.540 4.502 30 10 IJEE CC1CCN(S(=O)(=O)c2ccc(-c3csc(NN=Cc4cccs4)n3)cc2)CC1 1772721370 NHVYRGORMDPLAW-UHFFFAOYSA-N 446.623 4.738 30 10 IJEE CN1C(=O)/C(=C2\C(=O)Nc3ccc(F)cc32)SC1=Nc1nc(-c2ccccc2)cs1 1772737841 MBGSZVUHWJPCII-YJCQMWQCSA-N 436.493 4.505 30 10 IJEE CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)CS(=O)(=O)Nc1cccc(C#N)c1 1858111682 VDJVTRXGOHZZBP-QGZVFWFLSA-N 427.570 4.822 30 10 IJEE Cc1nc(SCC(=O)[C@@H](C#N)c2nc3ccccc3s2)nc(O)c1Cc1ccccc1 1859433300 RKZNXKMNSGPMSW-QGZVFWFLSA-N 446.557 4.660 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CC2)c1 1862469475 OGGVUJLPNADVHE-LJQANCHMSA-N 442.309 4.589 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2ccc(O)c(O)c2)ccc1F 1862503040 OIKLHONDRFKFHC-CMJOXMDJSA-N 447.462 4.885 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2F)ccc1F 1862503083 PAWPZPHAXCXAEQ-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862545073 RQTCMKXLUQJWEI-XMMPIXPASA-N 442.490 4.878 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862548834 ALJPBMNXNWTBIH-OSPHWJPCSA-N 447.575 4.822 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1862584751 GUQZEAXPVUKRCC-LJQANCHMSA-N 448.302 4.751 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862642664 NLNZAWOYDASYDI-JOCHJYFZSA-N 441.499 4.857 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCO)cc1 1862656176 YBPLDNSOHZVZIS-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862673065 BGCBCYOKWNVTIA-XMMPIXPASA-N 445.490 4.964 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 1862673922 HJOPVAFWNVNNDH-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862679677 JXFFJPDBPVKXBU-QKKBWIMNSA-N 427.472 4.610 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862682892 FUNNFCCIHSKOBL-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc2ccccc12 1862692810 UUZJTHDHGFXLRU-DEOSSOPVSA-N 445.515 4.853 30 10 IJEE CCOc1ccc(C2=C(Nc3cc(C)ccc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839337 JHZRNABHSXCEAA-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cccs2)C1=O 1863108993 QHINDEYBPYXSKB-UHFFFAOYSA-N 435.892 4.678 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCCC)cc2)C(=O)N(CCOC(C)C)C1=O 1863680356 UOBFMCDMAPCEKC-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(C(F)(F)F)cc2)cc1 1870141006 VADLBDZGPJJBBX-LFYBBSHMSA-N 425.414 4.933 30 10 IJEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSC(C)(C)C 1870232779 JPAVIHDLZCGGLD-UHFFFAOYSA-N 427.614 4.672 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOC(C)C)cn1Cc1ccccc1Cl 1870539646 WDSVFOJKUFZLLV-UHFFFAOYSA-N 430.976 4.528 30 10 IJEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2cccc(F)c2)cc1=O 1870812810 JWBHVYGOJRIZAO-JOCHJYFZSA-N 428.891 4.551 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1ccc(Cl)cc1C 1871029043 DXRBPCAIVQCNOV-UHFFFAOYSA-N 432.948 4.576 30 10 IJEE CC[C@@H](C)N1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)c(OC)cc2OC)C3=O)C1 1871353642 WXKVIHNDZXTGKE-FIEDDBFWSA-N 439.508 4.587 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc2C1=O 1871440660 AJXXYXLTPIIXBZ-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1Cl 1871453413 WHHXSXCSEVLGOY-JJFYIABZSA-N 435.863 4.982 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1)S(=O)(=O)CCCC 1872273065 CUBFBEDNCREQSS-HXUWFJFHSA-N 438.952 4.777 30 10 IJEE CCc1ccc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1 1872761618 RJUCJOAUIKSOEQ-MRXNPFEDSA-N 436.449 4.987 30 10 IJEE COc1cc(-c2csc([C@@H](C#N)C(=O)Cc3ccccc3OC)n2)c(OC)cc1Cl 1872783118 RRUTXKZRGYHSLS-HNNXBMFYSA-N 442.924 4.908 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CCCC2)cc1 1874457212 GQIDTBSPMCCGFW-YDZHTSKRSA-N 430.574 4.508 30 10 IJEE CCCc1nnc(SCC)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874506755 SSIQROOFFJUCER-RGVLZGJSSA-N 441.395 4.783 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874520772 UYFBXFHKLLJFHB-ODCIPOBUSA-N 427.357 4.636 30 10 IJEE O=C(/C=C/c1ccc(OCCCO)c(Br)c1)c1cccc(Br)c1 1874609922 RLTFCJPRENSMMU-FNORWQNLSA-N 440.131 4.869 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccccc1OC 1874693167 QQVAFGOEAGZOJO-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cc(OC)ccc3OC)c2)c1 1874695397 YYQZEUFAGKOHCF-ZRDIBKRKSA-N 432.472 4.757 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3F)c2)c(OC)c1OC 1874717149 BBVBNIUAFZAYGY-ACCUITESSA-N 436.435 4.967 30 10 IJEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(NCCc3ccc(F)cc3)ncnc21 1875228084 YLITYZTWWMHMTQ-ROUUACIJSA-N 435.547 4.529 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(C#N)cc1 1892144709 DDFWOBYROFIMDY-VQTJNVASSA-N 448.375 4.897 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1944733185 HUMSZHAVDBXGCH-LPHOPBHVSA-N 431.533 4.586 30 10 IJEE N#Cc1c(F)cc(Br)cc1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1999971448 CDJWSQPKYNQISY-MRXNPFEDSA-N 432.293 4.673 30 10 IJEE CC(C)c1nn2c(Cl)cc(-c3cc(F)ccc3I)nc2c1C#N 2081180719 IHDRXWLURMNYJT-UHFFFAOYSA-N 440.647 4.788 30 10 IJEE Cc1cc(Cl)c(Br)cc1NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2138099884 RHKQRDTUCMRNPV-AWEZNQCLSA-N 444.757 4.937 30 10 IJEE Cc1c(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)ccc(Br)c1Cl 2138180969 UJEURFUNTPGQQJ-CQSZACIVSA-N 444.757 4.937 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 2232327169 BKVPUZMZFAKKRL-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1c(Br)cccc1C#N 2269691560 XMGAAYKLXLMFOY-KRWDZBQOSA-N 430.293 4.767 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(C)C 2296227284 NIYBPMHMFULFOT-KNKQGSTJSA-N 435.406 4.718 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)C1CCC1 2296296579 POAUOBNDFXBLJZ-IBGZPJMESA-N 435.406 4.958 30 10 IJEE Cc1ccc(C)c(Nc2nc3nonc3[nH]c2=NN=Cc2ccc(Cl)cc2Cl)c1 2297710291 NPCXWTVVHRSWBE-UHFFFAOYSA-N 428.283 4.548 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(F)F)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2302299122 BBRNLUCVSXSRLC-WLRLJWMZSA-N 436.543 4.512 30 10 IJEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317346234 FTZOPOLGQBBILJ-KVOGJJTBSA-N 432.370 4.797 30 10 IJEE C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317358359 LQMFLDJDVIWXKA-DCVVVBLRSA-N 432.370 4.797 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)c(Cl)c1 2320885562 UYFBXFHKLLJFHB-UHFFFAOYSA-N 427.357 4.636 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2321193328 XOVVGGIZWKIOLO-CYBMUJFWSA-N 448.379 4.745 30 10 IJEE CCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(Br)c1)C2=O 2321836212 HHNNWRYWYPFSJO-ZDUSSCGKSA-N 431.282 4.704 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)cc1 2322457373 OSMBNVOAQDFLRV-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1c(Br)cc(Br)cc1C=Nn1c(SC)nnc1C(C)C 2323580168 CRZPNAYRYWHIAQ-UHFFFAOYSA-N 448.184 4.539 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCC(=O)OCC(C)C 2323601806 VQBQOKUUBBXAFI-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE CCOc1cc(C=NNc2nc(CC)c(C(=O)OC)s2)cc(Cl)c1OC(C)C 2323874502 VFXSDCLYZDBJAV-UHFFFAOYSA-N 425.938 4.777 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1c(F)cccc1Cl)C2=O 2325074187 PREGDJPYXLBEKX-CQSZACIVSA-N 448.874 4.751 30 10 IJEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1)OC(=Cc1ccc(C)o1)C2=O 2325471122 PBJPYJWMXWIEBG-UHFFFAOYSA-N 433.460 4.929 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326238725 ZKQWMJOEAYAUMJ-UHFFFAOYSA-N 441.315 4.872 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc(OC)c1O 2327026529 VOYCVTGEKVBEHJ-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE C=CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccccc1[N+](=O)[O-] 2327288853 QZPFDDDDOREPDP-UHFFFAOYSA-N 437.525 4.851 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccco1 2329603729 ALJWIZBUAMKJAR-UHFFFAOYSA-N 445.976 4.814 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccc(O)c2)cc1 2330566343 GKSOILVWFMVIFP-UHFFFAOYSA-N 437.506 4.795 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(C(C)C)cc1 2330786008 MDMCHYHPONKXAV-UHFFFAOYSA-N 441.988 4.866 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2cccs2)c1 2330821335 WXWWKSSAMPMSPQ-UHFFFAOYSA-N 427.599 4.850 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2-c2ccco2)c1 2331224612 TWWWGYKSICHGFM-UHFFFAOYSA-N 442.541 4.500 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccccc1F 2331630351 ZUYURFCMRBXVMD-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccccc1Cl 2331682810 CNZTWTARXRFKSN-UHFFFAOYSA-N 431.924 4.807 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)cc1 2339294456 ZCSDDIFXHSEWNZ-UHFFFAOYSA-N 435.333 4.948 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339599102 KLVRFKXUWXVZCF-XYDKVEKUSA-N 444.381 4.798 30 10 IJEE C=CCN(C(C)(C)C)[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2373892034 UTLPZGCUNREDJF-AWEZNQCLSA-N 425.186 4.859 30 10 IJEE C=C(C)COc1cccc(NC(=S)NC(=O)c2ccc(OCC)c(Br)c2)c1 9697511 VRKDIKGRSSTGIW-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccccc3Cl)n2)c(C)c1 21077762 QUZJPXFKARHISZ-WSDLNYQXSA-N 428.949 4.642 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2cccc(Cl)c2)Nc2cccc(F)c2)c1C 32973404 BRBRRMUCDHOOFN-UHFFFAOYSA-N 441.938 4.753 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)c1 33697731 VXEFMTMLPFLYOT-QHCPKHFHSA-N 430.504 4.741 30 10 IJEE COc1cc(/C=C\C(=O)c2cc(Cl)cc(Br)c2O)cc(OC)c1OC 35302788 HNYMRQBWNRUCOR-PLNGDYQASA-N 427.678 4.730 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)cc1 72033466 JQFLDUOTJVFKHW-VZUCSPMQSA-N 431.941 4.585 30 10 IJEE C=CCn1nc(SCC(=O)Nc2ccccc2)nc1-c1ccc(Br)cc1 72261378 RPVBNPKFVIEHAW-UHFFFAOYSA-N 429.343 4.624 30 10 IJEE CCc1nc2sc(C(=O)Nc3ccccc3)c(C)c2c(=O)n1Cc1cccc(C#N)c1 96528764 NJKJNODQCBIWMU-UHFFFAOYSA-N 428.517 4.501 30 10 IJEE CSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 102610108 AESCCMOHEQYODF-CFBLSMTOSA-N 441.534 4.603 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 102702580 SZJLOFZQILOBOZ-HQMFNGAOSA-N 438.480 4.696 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 102710929 IJSFPSFXZNEQFS-LYHOESIGSA-N 429.259 4.916 30 10 IJEE CCCN1C(=S)N[C@H](c2cccc(OC)c2OCc2ccc(F)cc2)C(C(C)=O)=C1C 169930404 OBHOKTFHXJNCPA-JOCHJYFZSA-N 442.556 4.918 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2O)c1 169931954 JFRCGCPAJIRERW-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC)cc1 169965742 YAPOXISRVJGEBI-QHCPKHFHSA-N 448.519 4.504 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccn2)c1 169990743 ANKFPWQNYGMJAU-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)cc1 170049625 MWCIBUYJAITVSK-DEOSSOPVSA-N 441.483 4.803 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@H]2c2ccccc2)c1 170054350 LDDDUFKYBYQXBS-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1C 170082985 MIHCTLBPFRZCOA-QHCPKHFHSA-N 431.463 4.927 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2C)c1 170086010 RZRHFPXHPDFOQV-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170118657 SLNOMRMFBHHFKS-ISKFKSNPSA-N 443.499 4.606 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)cc1C 170135780 KPRNCMVKVRUZFZ-HSZRJFAPSA-N 435.520 4.929 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)cc1 170138237 SLQMLIDDXBWHLR-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCN(C)C)c1 170146077 RQJOOLIREIOUDX-XMMPIXPASA-N 428.532 4.678 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccs1 170154514 BVWGCGDIRLQRDO-GOSISDBHSA-N 429.494 4.736 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccs1 170166295 RZUOYHJQFRATEQ-OAQYLSRUSA-N 443.565 4.929 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@@H]1c1ccncc1 170202350 NTBVZRKXMSFYRG-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2)cc1C 170222507 TZQQPNRQDKZELC-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1 170232002 GSCHRRPJLAKHTP-HSZRJFAPSA-N 434.580 4.823 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1F 170250766 BEAFCJFKGFHMSA-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F 170251077 WBMGRDRMOPTWJX-JOCHJYFZSA-N 446.478 4.625 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1 170260651 BODBMCZGTOMWLS-JOCHJYFZSA-N 433.460 4.553 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)ccc1OCC(C)C 170293029 HSGQKTYMLWTODN-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1 170433206 JJIUBFDOJYKFKF-NRFANRHFSA-N 439.508 4.618 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1ccc(C)c([N+](=O)[O-])c1 254873713 DXEWYCYFYDUYAT-UHFFFAOYSA-N 434.481 4.526 30 10 IJEE CC(C)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 442080219 RKILJEHZKISYQI-AWEZNQCLSA-N 433.430 4.716 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 461690187 CHMHKXIAXFEZQV-FXAWDEMLSA-N 435.959 4.574 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCO1 461825323 YOWNTAIHGASQIN-GOSISDBHSA-N 444.004 4.741 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)NCC[C@H]3COc4ccccc4O3)c2)cc1 483052526 UASIVTUMTNOESY-QHCPKHFHSA-N 443.503 4.683 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)C(=O)N[C@@H]1CCCC(F)(F)C1 492040450 DZUVHUKXWNGOTN-SNVBAGLBSA-N 446.388 4.695 30 10 IJEE C=CCn1c(Sc2nc([C@@H](C)OC)ns2)nc2sc3c(c2c1=O)CCCCC3 509678109 DFOMLTWVPOGMNX-LLVKDONJSA-N 434.612 4.623 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])o2)c1 526487307 XFNKNMIWLFRQRB-QFIPXVFZSA-N 445.431 4.905 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1)c1ccccc1 526772406 IFHLESSFPWOFQX-QFIPXVFZSA-N 447.874 4.894 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 557994626 RQCIZDUGFOUXHR-SANMLTNESA-N 433.511 4.576 30 10 IJEE COc1ccc(OC)c(C=NN=CC2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)c1 606347730 VLSIGSFYNWXKFN-AZBNOJFHSA-N 431.536 4.572 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(Cl)c1 742214338 DGWHIAOBKOXVDW-IBGZPJMESA-N 425.941 4.714 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1 763312810 ORVQQTHTZLHWKB-UHFFFAOYSA-N 437.374 4.620 30 10 IJEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Oc2ccccc2Cl)cc1 787056534 OMSIWKFKCIJQMO-IBGZPJMESA-N 449.850 4.679 30 10 IJEE N#CC1(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)CCCCCC1 1087873381 ABISUMHUWJLCDK-UHFFFAOYSA-N 429.549 4.861 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4cncc(Br)c4n3)cn2)c1 1124906150 GEDJWYGYPFYKFW-UHFFFAOYSA-N 446.264 4.704 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 1125486232 DGWUCXYAKOPKPF-JOCHJYFZSA-N 425.573 4.937 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 1130905388 YNDQDCMRKIMYIT-WMZHIEFXSA-N 426.582 4.767 30 10 IJEE C#CCN(C(=O)c1ccc(OCc2cscn2)c(OC)c1)[C@H]1CCCc2ccccc21 1134093336 NTWDXMGQCOJJNZ-QFIPXVFZSA-N 432.545 4.884 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 1146247971 QUPYMQYMNWQKOY-UHFFFAOYSA-N 446.330 4.642 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1167495362 DVNSSYFPYMOHTF-TZIWHRDSSA-N 440.613 4.519 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2)nc2sc3c(c2c1=O)CCCCC3 1187972483 PGCDWQGWYGHTGJ-UHFFFAOYSA-N 440.590 4.992 30 10 IJEE C=C[C@@H](Sc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1)C(=O)OC 1188252032 FSNMSALSRYSQCD-LJQANCHMSA-N 448.569 4.993 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3N(C)CC[C@H]2C)n(-c2ccc(F)cc2)c1C 1191600133 BDLVYIBIEHGXSM-QGZVFWFLSA-N 445.542 4.778 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1)c1ccc(F)c(F)c1 1196676539 CMDDNUVDKBIMDM-NRFANRHFSA-N 429.467 4.791 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC)c(COC)c1 1219897223 CMUMIFILDRNZCX-UHFFFAOYSA-N 437.309 4.963 30 10 IJEE CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1 1226496075 BGLATQUKBRIHDX-SCPLRKQGSA-N 428.552 4.769 30 10 IJEE C#C[C@H](NC(=O)N[C@H](COC)c1cccc(Br)c1)c1ccc(Cl)cc1F 1230509678 AUEACLVSKQCBMF-ZWKOTPCHSA-N 439.712 4.603 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(SC)cc1 1253779487 PERQJGMOXYZRAS-IBGZPJMESA-N 430.545 4.910 30 10 IJEE C=CCc1cc(C(=O)N(CCC)[C@@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC 1264885785 BFYVFSJNJSYPOB-XMMPIXPASA-N 436.596 4.949 30 10 IJEE C=CCC[C@@H](C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1267702593 WZBIFUFPRCENOO-WOJBJXKFSA-N 430.470 4.673 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C1 1277137139 LAEILFHNJQKKFL-KRWDZBQOSA-N 439.353 4.885 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC[C@@H](C)CC)c1 1278645224 ZQZGQHUJAMJHJH-KRWDZBQOSA-N 434.989 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCCN1CCC 1286278801 GLSGRHSUKBMKID-IRFCIJBXSA-N 439.673 4.854 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1286355016 DIXLDWQJKXOVMH-VWLOTQADSA-N 433.644 4.569 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1286357518 WOMCASCATZPGCB-QHCPKHFHSA-N 448.567 4.739 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1286468626 CTLANDJRMQKCQQ-WGSAOQKQSA-N 441.000 4.789 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286499331 PYCVRLYKANRWMB-UHFFFAOYSA-N 446.580 4.608 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@](C)(O)c1cccs1 1286519195 SYYQGFLXEFJXDL-ZPZUNKDASA-N 434.609 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OC(C)(C)C)CC1 1286554990 ZWKYNTUYMFRNLY-RXVVDRJESA-N 428.577 4.612 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N(CC)C1CCCC1 1286568121 XSJHXVHVRMYYOA-PXDATVDWSA-N 438.616 4.822 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-n2cccn2)cc1 1286569070 BUPWTGJMDGCTMO-UHFFFAOYSA-N 433.947 4.630 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1286600957 RQOPLPYPKJSCMZ-IBGZPJMESA-N 439.387 4.879 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1286657103 SWQBAXWJSLYZJC-UGKGYDQZSA-N 438.563 4.548 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1286771309 INXYHDNCTRDZDB-QHCPKHFHSA-N 428.602 4.652 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286798319 GJMJCHODTIMWKL-UHFFFAOYSA-N 437.491 4.565 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCO[C@H]2c2ccccc2)C1 1286811123 ZVTLMZGVGGZHIM-ZDXQCDESSA-N 438.616 4.816 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(C)CCOCC1 1288513356 DMEIXKUCLGFRDF-LJQANCHMSA-N 449.555 4.672 30 10 IJEE CN(CC1CCCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1 1298535577 AEIDUUDMKXKFOQ-RTWAWAEBSA-N 425.552 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C1CCCCC1)N(C)C 1300277286 YZYQVAKVQJNURE-UWJYYQICSA-N 445.558 4.515 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1300370735 CBLBPHUWQUGVLX-QHCPKHFHSA-N 434.609 4.874 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCOC[C@H]1C 1300603907 YQRMSWNQONFOBS-XLIONFOSSA-N 435.597 4.509 30 10 IJEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](C)Cc2cccs2)CC1 1300683084 LEGNPEGSOJWKEC-ZJSXRUAMSA-N 447.652 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC[C@@H](OC)C(F)(F)F 1300790379 ONQWLTQILYVAIV-VQIMIIECSA-N 426.870 4.558 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1OC 1300886123 WJAGVGQZVXCCDQ-AUSIDOKSSA-N 442.604 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)N1CCCC1 1300919066 TYKGTRZFCUELAN-OAQYLSRUSA-N 436.629 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCc1csc(C)n1 1300920839 GHQHGPNDULPKNH-UHFFFAOYSA-N 425.602 4.884 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)CC(C)(C)C1 1300950691 MVEMSURZKMVLJO-MOPGFXCFSA-N 431.625 4.841 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC(C)C)C1CCCC1 1300981171 SFOQLYBXGOJOFA-UHFFFAOYSA-N 426.561 4.672 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CCC(C)CC1 1300984019 VTXASCGLJGVAKZ-UHFFFAOYSA-N 434.588 4.738 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCc2sccc2C1 1301001797 NLTFXPIZYNQXCW-TZIWHRDSSA-N 444.645 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cscc2C)CC1 1301108975 DFGHQGBDETWGJR-UHFFFAOYSA-N 432.391 4.856 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCO[C@H](C)C2)CC1 1301114266 MRQYFWDMRBETOF-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1sccc1C 1301304632 GRRKEJXUXAVJDE-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCc1nc(C)c(C)s1 1301341600 UGVXYAFBRWAACP-UHFFFAOYSA-N 443.580 4.654 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)CN2CCCCC2)C1 1301545122 DLUSNICXXIJHOK-PMACEKPBSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccco1 1301600552 CNEBBCOPHLDKAF-UHFFFAOYSA-N 439.404 4.918 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2)n1CC1CCC(C(F)(F)F)CC1 1316099986 HGVKGVJGEDBQAG-UHFFFAOYSA-N 435.494 4.680 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1352288329 HPHLSVBCUOUJPI-NRFANRHFSA-N 434.543 4.965 30 10 IJEE C=CCOc1cccc(NC(=O)CCCOc2ccc(I)cc2)c1 1357421614 FPCCJECJTFNCKI-UHFFFAOYSA-N 437.277 4.654 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(F)c(NC(=O)OC)c2)s1 1358471684 FLLGCYRCJNGEOI-UHFFFAOYSA-N 429.926 4.795 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCC(C)C)cc1 1358899548 PJSVGSMMZUFPIW-UEVCKROQSA-N 438.616 4.738 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1358909149 VRLXMKKOWSGVGG-XLIONFOSSA-N 443.389 4.516 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1359004531 ZROYFPMYKQGVEZ-HSZRJFAPSA-N 431.584 4.608 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1=CCCCC1 1359106620 KWVGOSGHVRPJJR-UHFFFAOYSA-N 427.980 4.764 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1359135984 VEVACXOHNQFUFE-UHFFFAOYSA-N 449.599 4.523 30 10 IJEE C=C(Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(CCC)CC1)c1ccccc1 1359138711 BOOAYKDOBWKJLU-UHFFFAOYSA-N 430.600 4.673 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cnccc2OC)CC1 1359173576 JBCFRFVPNZOFQF-HXUWFJFHSA-N 447.583 4.889 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359191868 OFOZMWYGSKRTIF-ICSRJNTNSA-N 444.023 4.786 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359191870 OFOZMWYGSKRTIF-UYAOXDASSA-N 444.023 4.786 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359199365 SMDCDBPVDHQCLF-IUKKYPGJSA-N 430.980 4.728 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1359218271 DAYAQGAJUNVVSB-FQEVSTJZSA-N 430.524 4.753 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@](C)(O)C1CCCCC1 1359244737 ORILBQSLFMEEOM-QHCPKHFHSA-N 430.618 4.533 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)CCC2)C1 1359316696 UPXARSAGZFRPIQ-INIZCTEOSA-N 449.368 4.818 30 10 IJEE C#CCOc1cccc(OC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1359925600 ISAGZVMSHMLMJP-XMSQKQJNSA-N 443.902 4.785 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@H](c1c(F)cccc1F)N(C)C 1359926176 FFYPFUOKTHUNDL-HXUWFJFHSA-N 446.590 4.923 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1OC 1360934182 YAIPMNJYVUUOMQ-YLKKANDBSA-N 440.971 4.832 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 1449600737 UKAIGZSWWBNXEK-JOCHJYFZSA-N 440.584 4.586 30 10 IJEE COc1ccc([C@H](NC(C)C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 1457594063 DIRBPLQIJBMKQH-VWLOTQADSA-N 447.510 4.963 30 10 IJEE C=CC[C@]1(C(=O)NCCc2sccc2Br)CCCN1C(=O)OC(C)(C)C 1462465867 FOLWLLAWMCCRDK-LJQANCHMSA-N 443.407 4.515 30 10 IJEE C=CCCC[C@@H](C(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1)c1ccccc1 1465616211 TYINTLUQHPLVCP-AREMUKBSSA-N 425.661 4.781 30 10 IJEE C#C[C@@](C)(CC)NC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1468175246 ITBVQZOOYWWZRD-MMTVBGGISA-N 444.575 4.956 30 10 IJEE C#C[C@H](NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)c1ccc(Br)cc1 1468839759 POYTXEPKIOTQNC-VGSWGCGISA-N 440.385 4.648 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2ccc(OCC)cc2)c2cccc(Cl)c2)CC1 1469480825 ZRQFEYMKPXDFAY-QFIPXVFZSA-N 428.960 4.941 30 10 IJEE C=CC1(CC(=O)Nc2n[nH]c(C)c2-c2cccc(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1472462885 BACVWMPGCKFKCR-UHFFFAOYSA-N 430.936 4.790 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1475916771 WZKZXPMJSHGBKP-UHFFFAOYSA-N 441.597 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1507793335 DATWWUKDFZDEME-JXFKEZNVSA-N 449.382 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H](C)CCC 1507797910 SYKMHVVUTGILGJ-KPLVRAHFSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1507799451 WKYOLIKUFXDMGW-XWQURZDVSA-N 440.588 4.568 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OC 1508027783 ONXXWQLAURBOPB-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1ccc(F)cc1 1508033577 NUUYVQLSQMKGDO-PZJWPPBQSA-N 438.547 4.943 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1cccc(Cl)c1 1508035038 ZXJZCERCUKLOJR-XMMPIXPASA-N 440.975 4.935 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccsc2)C1 1508115899 PNZIJRHNZWINAI-JXFKEZNVSA-N 444.988 4.963 30 10 IJEE Cc1ccsc1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1 1510494182 DALFZFGNEOSPLB-INIZCTEOSA-N 425.533 4.715 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 1520813262 YOPMJROOHWKOCF-IBGZPJMESA-N 432.442 4.916 30 10 IJEE C=CCOc1ccc(CNC(=O)c2c(Cl)ccc(I)c2F)cc1 1525535033 QSFQSJYCUXNIJL-UHFFFAOYSA-N 445.659 4.579 30 10 IJEE C#CCN(C(=O)COc1ccc(Cl)cc1C)[C@H]1CCOc2ccc(Br)cc21 1529627207 LIROZFKMTVANHZ-SFHVURJKSA-N 448.744 4.775 30 10 IJEE Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1530919960 GPLAWIGBKKJALI-IBGZPJMESA-N 442.494 4.723 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@H](CSc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1533404024 ABNLXJCXDRNGLY-CYFREDJKSA-N 430.614 4.973 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nc3cccc(Cl)c3n2C)s1 1537602896 FBIICYMMOFKXJG-UHFFFAOYSA-N 441.409 4.695 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccc(Cl)c(Cl)c3)cc21 1538956244 MTDRENXPNRNEOQ-IERDGZPVSA-N 443.334 4.687 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(N(CC)CC)nc1 1538970295 BUMMCYIVHGTNIM-OFNKIYASSA-N 430.600 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)N1CCC(C)CC1 1538986990 PTDBBHHIWWQYIH-SJORKVTESA-N 434.415 4.830 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc(C)c2)CC1 1539085663 ORIQVRBBXZXASQ-DNQXCXABSA-N 449.643 4.635 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1539505999 GVEUANVKKONEJF-ICSRJNTNSA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1C[C@H](F)C1 1539548201 HNFCPQBMEZZBPB-IUSZMWJPSA-N 449.343 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](COC)C1 1539926702 RSQHKQVBUFKCKQ-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1539952964 MXRFVTOEROGEJB-OXJNMPFZSA-N 432.515 4.907 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1csc([C@@H](C)OC)n1 1540051455 DTYJASXBUPFFLH-MRXNPFEDSA-N 434.569 4.636 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1CCc1ccc(OCC(F)(F)F)nc1)C1CC1 1540102185 HQPSLPKVVVVSMT-UHFFFAOYSA-N 443.473 4.679 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCCCc2nc(C)cs2)C1 1540888730 XCMAMGGLTBFPLQ-GOSISDBHSA-N 441.576 4.653 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1OC 1544448485 NPAXNAPNOCFWOI-QXSWTLKVSA-N 433.508 4.763 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3c3ccccc3)ccc2c1=O 1557137029 DZENTMPZWBTFCD-KNQAVFIVSA-N 433.577 4.670 30 10 IJEE C=CCn1c(SCc2ccc(Br)cc2[N+](=O)[O-])nc2ccccc2c1=O 1559324840 KEITUFXRBKGLRK-UHFFFAOYSA-N 432.299 4.546 30 10 IJEE C=C(Br)CN1C[C@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1560167851 USMXGMDCZSUELB-DLBZAZTESA-N 437.378 4.525 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(Cc3ccccc3)C(=O)C2(C)C)cc1OC 1560853830 IFWUDGCOYZIUOR-UHFFFAOYSA-N 428.960 4.536 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OC)c(Br)c1)c1ccc(Cl)cc1F 1563544974 IUCXRSOXGCYZJY-PIGZYNQJSA-N 439.712 4.985 30 10 IJEE C#CC[C@H](NC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccccc1 1564385769 ROWPUMVBRBJUML-FCHUYYIVSA-N 439.600 4.818 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 1564868501 FYHXCLGJAWYHLB-RUZDIDTESA-N 439.515 4.792 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(c4ccc(Cl)c(Cl)c4)CC3)n[nH]2)c1C 1568055755 IAIFGKQTELVQGC-UHFFFAOYSA-N 430.339 4.802 30 10 IJEE C#C[C@H](NC(=O)C(C)(C)c1ccccc1Br)c1ccc(Br)cc1 1584708448 PDFMVIAHMAUVNU-KRWDZBQOSA-N 435.159 4.980 30 10 IJEE CN(C(=O)c1cc2cc(Br)cc(Br)c2o1)c1ccc(C#N)nc1 1585293061 BJLNFOPNLCWUQF-UHFFFAOYSA-N 435.075 4.501 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1ccc(OC(C)(C)C)nc1 1588473136 LSNOBCFAOOZPRZ-UHFFFAOYSA-N 449.574 4.975 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC[C@H](OCC)C(C)C 1589242655 FCATULQZCXSTMB-XUZZJYLKSA-N 445.007 4.954 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1589434400 GEOJWFVKSWZHKG-FQEVSTJZSA-N 445.405 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(N(CCOC)Cc2ccc3c(c2)OCO3)nnc1C(C)(C)C 1594529403 SRYLWWPBWLIBPW-UHFFFAOYSA-N 428.577 4.560 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](COC)C1 1594573178 PIVPFMHYSZWVNO-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCn1cccn1 1594591444 WPZDUTVTLGSIHI-UHFFFAOYSA-N 447.356 4.536 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1594986289 SNOATMQQSPPEHM-GHTZIAJQSA-N 427.643 4.697 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCC(F)(F)C1)C1CC1 1595026623 PMJONFJCTYBNBR-PGRDOPGGSA-N 438.563 4.689 30 10 IJEE C=CCn1cc(C(=O)N(C)Cc2ccc(Br)cc2Oc2ccc(C)cc2)nn1 1596725613 GNNNITPYURJCIF-UHFFFAOYSA-N 441.329 4.600 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 1596854079 MEDIERYJFMCEKF-FXAWDEMLSA-N 438.996 4.947 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nc2ccccc2c1=O 1613241338 ZQKIZBCBSMUEJZ-MSOLQXFVSA-N 447.604 4.819 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)C)nc2cc(-c3ccccc3)sc2c1=O 1613380212 HIPRVICFINXTSK-UHFFFAOYSA-N 427.595 4.565 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)N2CCC[C@H](C)C2)cc1 1613778473 ANPTYXWNOQYAEM-ISJBWFOZSA-N 434.632 4.758 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 1621631304 QJJSLTZKPZHLOQ-GOSISDBHSA-N 425.356 4.992 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1OC 1623602993 ROZBZDPHRQEAMN-VZNHHXIYSA-N 440.971 4.880 30 10 IJEE C=CC1(CC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CCCCC1 1625283260 FDHXRHQONYYJHW-UHFFFAOYSA-N 428.964 4.561 30 10 IJEE COc1cc(NC(=O)N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(F)cc1C#N 1626517747 DIOJTOCZAHFIGQ-BUXKBTBVSA-N 437.393 4.719 30 10 IJEE C=CC[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)c1ccccc1 1627454510 HUJUYLXKRHZWQH-VXKWHMMOSA-N 438.369 4.518 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](C)Cc2cccc(Br)c2)cc(OC)c1OC 1630468842 AQPVPBQYTFCTRI-HNNXBMFYSA-N 447.373 4.625 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@]1(C)CCO[C@H]1C 1633842029 PBBCCVUAFSMFLT-RTFHYFGRSA-N 448.563 4.544 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)CC1 1638135104 WOHNFGLRLPVRBT-SONSGTBOSA-N 434.580 4.563 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CCCN1C(=O)OC(C)(C)C 1638484468 BCDDMPWWQISZFF-DEOSSOPVSA-N 427.520 4.538 30 10 IJEE C#CCC1(NC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)CCCCC1 1639186810 AUYSQUNTTGVWFI-FQEVSTJZSA-N 432.564 4.543 30 10 IJEE N#Cc1c(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)nc2c(c1C#N)CCCCCC2 1642195476 DOZSFOYTFVLHGP-DEOSSOPVSA-N 449.986 4.623 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(F)c(F)c1 1642781551 BAXICMCULQGPKU-OAQYLSRUSA-N 431.483 4.997 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1650974950 WHDZZWYCILCFQV-XWSHUIEDSA-N 447.641 4.840 30 10 IJEE C=CCn1c(SCc2cccc(N(C)C)n2)nc2sc3c(c2c1=O)CCCCC3 1651548649 KGPIUYCGMDWNFC-UHFFFAOYSA-N 426.611 4.666 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3ccccc3F)C2)n(Cc2ccc(F)cc2)c1C 1653693566 CREPHPCPXJZRPH-HXUWFJFHSA-N 448.517 4.731 30 10 IJEE C=CCC[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(C(F)(F)F)cc1 1653910961 LHBMSGQRJCGGTB-RBUKOAKNSA-N 428.495 4.938 30 10 IJEE C=CCOc1ccc(CNC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc1OC 1657948538 TVICVSAUWIUWIV-JOCHJYFZSA-N 438.568 4.884 30 10 IJEE C#CCN(Cc1nc2c(s1)C[C@@H](C)CC2)[C@H]1CCOc2ccc(Br)cc21 1659177347 GNOUIJBDHMBAGJ-KSSFIOAISA-N 431.399 4.989 30 10 IJEE O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1C[C@@H]1c1cccc(F)c1 1661109673 BAFHNWKFWOBOME-BZUAXINKSA-N 441.368 4.923 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 1665141163 NRKJSODZSHGGIO-QUZFRVLNSA-N 445.629 4.658 30 10 IJEE N#Cc1cccc(C2(NC(=O)N[C@H](c3ccc(OC(F)F)cc3)C(F)(F)F)CC2)c1 1669041505 HYISKJVWTHGOAN-MRXNPFEDSA-N 425.357 4.752 30 10 IJEE C=CCC[C@@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1ccc(C(F)(F)F)cc1 1670827027 RULHBSSBFQMREA-OAQYLSRUSA-N 434.506 4.881 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1nc(C)n(-c2ccccc2)n1 1677920188 VMZINQIPVLTINJ-UHFFFAOYSA-N 444.308 4.697 30 10 IJEE C#CCC1(NC(=O)N[C@@H](c2cccc(SC)c2)c2ccc(F)c(F)c2)CCOCC1 1678297280 BOEARJFOEWJEOG-NRFANRHFSA-N 430.520 4.648 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C 1681943282 FWEXDTNVYBGFNM-PMVMPFDFSA-N 434.024 4.563 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1685052218 VZCGXGIUMUMVRZ-XMMPIXPASA-N 449.595 4.789 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 1685548350 KMANHZYEQGNISH-QKNQBKEWSA-N 429.333 4.872 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1 1687036336 LMGWPFISWINODW-FGZHOGPDSA-N 429.605 4.900 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCc1nc(C(C)(C)C)cs1 1689854741 HCZZDQDXZSLZEM-HNNXBMFYSA-N 443.567 4.602 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCO[C@@H]1C(C)C 1689973738 NYKPHMVVIPIOGD-PXDATVDWSA-N 438.616 4.810 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCc2ccccc21 1689976562 OTEOIKQPXBQDLB-IRLDBZIGSA-N 449.599 4.540 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N1CCCC1 1690088785 WYIVOMMIYNIWNS-QFIPXVFZSA-N 449.574 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)C[C@H]1CC 1690239093 REXIRDALFIILRG-LFEHRJTNSA-N 448.409 4.642 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccco1 1690328167 GMTZNDWWRAJOJY-KRWDZBQOSA-N 446.338 4.549 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CCCCN2CCC(C)CC2)CC1 1690414671 FXSMJANWSXRYBY-UHFFFAOYSA-N 435.660 4.978 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCOC 1690455145 DLDNCJNKRSNNBL-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCOc1ccc(Cl)cn1 1690563016 DBUKCCNICODNAH-UHFFFAOYSA-N 434.931 4.593 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC2(C)CC2)C1 1690689615 IBRVOBMLMUTLAS-SFHVURJKSA-N 431.378 4.679 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@@H](F)C1 1696173458 GWRYJQDZXURVKB-KHCICDEESA-N 441.551 4.524 30 10 IJEE CO[C@@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC#N)CC1)C(C)C 1697152498 FDBANOMHNWFUEG-PXNSSMCTSA-N 441.645 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC2(CCCCC2)O1 1705505431 KJLUDDCOLJLARJ-UWHLTILDSA-N 428.621 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1705697001 RUECZLLPTCXETR-ZCVJKFOLSA-N 445.007 4.975 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1705704703 YLFVGIDRXYTCFL-DNVCBOLYSA-N 429.977 4.673 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2=CCCOC2)CC1 1705764713 KTIRLKHBZLSHDI-UHFFFAOYSA-N 449.780 4.864 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2Cc2ccnc(C(F)(F)F)c2)CC1 1705771954 GTSYWKZFTFWYAS-UHFFFAOYSA-N 447.436 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1705788035 NHSPYPJUOODHTP-QGZVFWFLSA-N 443.958 4.773 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1705802022 ZGPZGMBTULUGEQ-SFHVURJKSA-N 430.618 4.577 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1705806510 GGARHAKKFAAWBP-RPWUZVMVSA-N 437.632 4.977 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1705872092 KYGGZINSNWVCCH-BJKOFHAPSA-N 429.568 4.995 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)c2cccc(OC)c2)C1 1705926666 IOHBVHBAYWCXQM-QHCPKHFHSA-N 438.616 4.779 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1CCc1ccccc1C(F)(F)F 1706462041 AOWJDSSZBLGEGI-IBGZPJMESA-N 449.521 4.810 30 10 IJEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCOC1CCCCCC1 1711143875 DZIXIRWHYSOQER-HSZRJFAPSA-N 437.588 4.561 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCC(F)(F)F)cc1 1712879615 HFURIHIXZDPZSE-HNNXBMFYSA-N 431.384 4.938 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(CC)s1 1722276555 IDOMMIADGZDPMD-CYBMUJFWSA-N 447.377 4.977 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1722281677 JJAAFWQXIKSMKD-DENIHFKCSA-N 449.002 4.597 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](CCOC)C1 1722310134 HXOAYKFTFZHCJR-MOPGFXCFSA-N 426.630 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722495925 INNQECPWBQIYEU-NZGUISNBSA-N 446.542 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCCOC(C)C 1722498102 OODZPPAVEIDBNT-HSZRJFAPSA-N 430.980 4.708 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](OCC(C)C)C1 1722546959 FJPAVLIOHMRAJY-MRXNPFEDSA-N 425.360 4.611 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCSC(F)(F)F)CC1 1722564202 KKJNBZXZRIWPON-CQSZACIVSA-N 430.471 4.967 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722603329 RVXRBDXACPOJRY-QFIPXVFZSA-N 434.588 4.738 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722615447 QKUNBMADEIMVBG-HXUWFJFHSA-N 430.980 4.627 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722642735 NPWWWFCIZZXWGY-WMZHIEFXSA-N 442.604 4.719 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1722643648 VLTXYIQTUIFFRQ-AUSIDOKSSA-N 426.605 4.838 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1722661259 YPCCJRGAQKPAOB-IBGZPJMESA-N 449.624 4.883 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCSC(F)(F)F 1722674374 CBTCVFSGPTTWOP-UHFFFAOYSA-N 447.486 4.898 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@H](C)N1CCC(C)CC1 1722676924 PBERFVWMLHYWIX-OAQYLSRUSA-N 425.621 4.884 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCSC1 1722679187 PYPQEWRYFATFPO-ROUUACIJSA-N 446.686 4.913 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC2(CCCC2)C1 1722742764 GNCXAJGUESWDCX-UHFFFAOYSA-N 449.020 4.579 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@H]1CCC2(CCCCC2)O1 1723419172 DOKGYFOOMXIBPR-NRFANRHFSA-N 438.620 4.932 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)c2ncc(C)s2)c1 1724177401 DBNSSNKKFHAEDH-MSOLQXFVSA-N 438.601 4.638 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)CN1CCCCC1 1740535023 MSUHGCNQJWRPKU-UFYCRDLUSA-N 444.023 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C)c1nc(C)cs1 1740538717 ONWALPXSIDJYSO-QAPCUYQASA-N 430.581 4.828 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740585161 WCZGDMVCADYIGU-IBGZPJMESA-N 442.350 4.638 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(CCOC)CC1 1740663249 DGNYZBVQXLQTSZ-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@H](C)c1nccs1 1740712381 GMKIORUIZWPMFS-HNNXBMFYSA-N 432.018 4.661 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740779666 UDSVKNRFUTUVIA-QGZVFWFLSA-N 435.538 4.892 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1740827428 WLFHBYHQVSDJAW-OALUTQOASA-N 442.677 4.547 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1740837858 XQVHAESXXBBMPS-JOCHJYFZSA-N 434.588 4.727 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CCCNC(=O)OC(C)(C)C)C1CC1 1740907492 WCEXWYRROKWRRZ-UHFFFAOYSA-N 425.577 4.577 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nc(C)cs1 1740935024 ZJQRVWYPXDIUJJ-GHTZIAJQSA-N 437.613 4.933 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740945844 ZRKHKWRYTRKEPV-IBGZPJMESA-N 444.023 4.886 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1740970297 IXNOSEGQBVUBIX-ROUUACIJSA-N 426.458 4.804 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1741004598 GEBNBTNSFUUWJW-IAGOWNOFSA-N 430.643 4.590 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2sccc2C)c1 1742358083 FGPPIDNHSCEYNW-XMMPIXPASA-N 435.597 4.908 30 10 IJEE Cc1csc([C@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@H](C)CC#N)n1 1742517253 CAJBHFOZHQDDHQ-NVXWUHKLSA-N 447.568 4.907 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1748702270 AGARHOUZBXAKJV-FQEVSTJZSA-N 434.515 4.888 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC=C(Br)C1 1749124780 PEEIJWKQMCTHBO-YLJYHZDGSA-N 443.389 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC(C)(C)C1 1749141621 ZZJWTZCZIKBNDS-GCJKJVERSA-N 428.552 4.604 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1749304927 LLDYCPHORCVVNJ-UHFFFAOYSA-N 433.503 4.743 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(c2cnn(C)c2)CC1)c1ccccc1 1749385687 STRHKZWDTRONJT-HSZRJFAPSA-N 432.616 4.954 30 10 IJEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1749398668 NPEOJQKRQUMBBT-ROUUACIJSA-N 442.633 4.549 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749419723 NQNWNTLCJJEQLN-UHFFFAOYSA-N 435.616 4.695 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC=C(C(F)(F)F)CC1 1749460048 ZZNGIIGIDIZODN-UHFFFAOYSA-N 445.489 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC1(C)C 1749529964 QECSBFINMJAODT-IBGZPJMESA-N 437.613 4.881 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCCC1 1749541392 NCEKXUOXCWPFDE-UHFFFAOYSA-N 448.546 4.837 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccsc1 1749542040 YTLBLHVESBXOSP-DEOSSOPVSA-N 449.555 4.641 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CSCCS1 1749560692 VNUUKWQYFWGTPW-IAGOWNOFSA-N 434.606 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCOC[C@H]1C 1749564242 RWVQGZVCHYJRFH-IEBWSBKVSA-N 445.405 4.867 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1C[C@H](F)C1 1749587023 FOMIGSJWBPWBFN-SAABIXHNSA-N 429.927 4.960 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1Cc1ncccc1C 1749587536 YTQSFUMOFBZSCZ-UHFFFAOYSA-N 429.524 4.534 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCC(C)(C)C1CC1 1760177978 UPXSCRKCLSQJBH-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(OC(C)(C)C)CC1 1760275669 DVXJMAMLJZNRIK-UHFFFAOYSA-N 438.597 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1cccc(OCC(F)(F)F)c1 1760297118 IDQFSAFWMXZZRV-HSZRJFAPSA-N 446.517 4.992 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cc(C)on1 1760317370 FGBKATAKJFBNDM-YLJYHZDGSA-N 427.936 4.513 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccccc2)C1 1760342204 ACICHCVEUOUYAV-QGZVFWFLSA-N 426.362 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1760414134 GJOBYMATKITPMM-SANMLTNESA-N 431.584 4.618 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCCC[C@H]2C1 1760448265 ZXHIKYWBDLIGEX-UXHICEINSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1760452133 FRNVCUCUDBBHON-HXUWFJFHSA-N 426.561 4.656 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCSC1(C)C)C1CC1 1760470435 RRIJABJPHRXPBM-SFHVURJKSA-N 439.629 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1cc(F)cc(F)c1 1760486136 DVNYOCLNJOTNLP-UHFFFAOYSA-N 438.507 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CC(=O)NC1CCCCC1 1760488356 SNMFPXKAAZVSGE-UHFFFAOYSA-N 441.645 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(C)(C)C)cs1 1760491484 JDENUBPLYYQRES-UHFFFAOYSA-N 432.597 4.992 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C 1765025820 FSJIQRCMAXMATJ-DUXKGJEZSA-N 434.613 4.806 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(C)CC1 1772516711 JMGSWWLBNWCGGC-UHFFFAOYSA-N 431.367 4.817 30 10 IJEE COc1ccc(C=NN=C2S/C(=C\c3ccccc3F)C(=O)N2Cc2ccco2)cc1 1772757266 CJMBSIGBSMLVGK-JWZGDWNOSA-N 435.480 4.934 30 10 IJEE Cc1ccc(/C=C/C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc2C#N)cc1 1860827739 AXWVSSGHXMWOID-ZUSJUXBOSA-N 448.526 4.727 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1862100258 HZFZRPMTHDBRHC-QHCPKHFHSA-N 444.579 4.891 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862431823 PDRJMGXELDOHCQ-LJQANCHMSA-N 441.892 4.591 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862494228 IOXXTSZVFQDHIC-QPPBQGQZSA-N 449.547 4.850 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)cc2Cl)c1 1862498782 QKYVOGNNHDODNO-ORAYPTAESA-N 434.319 4.569 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862578224 CTOGNBDHHFQTHK-IBGZPJMESA-N 448.302 4.775 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862589029 CEEJTGVQOCUVJB-XMMPIXPASA-N 427.500 4.912 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc2ccccc12 1862593442 TUQYMGCIKAEPCM-QHCPKHFHSA-N 431.488 4.550 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCC)c(OC)c1 1862599979 ISOIPRROESWDQZ-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Br)c1 1862696754 VTOULVBFQYTYFC-ORAYPTAESA-N 444.325 4.835 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(C)cc2)c1 1862699551 VJSBNGFYFBJYCE-XMMPIXPASA-N 443.499 4.661 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(O)c1 1862725380 HQSLSSGQKWRTGM-DEOSSOPVSA-N 443.499 4.999 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)c(O)c1 1862725430 JBLHPPVIUVTWIW-HSZRJFAPSA-N 429.472 4.752 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 1862735823 QZKWMGLODPXGPO-YFZFPPMRSA-N 438.455 4.891 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 1862736163 GQHRIHMSLCAWGJ-QHCPKHFHSA-N 442.471 4.806 30 10 IJEE Cc1ccc([C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 1866956098 UHKUZNLDZYQKKR-CLJLJLNGSA-N 439.559 4.973 30 10 IJEE C#CCOc1cn(CCCCCCCC)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870560519 ZXKOWBUELIKESE-UHFFFAOYSA-N 435.612 4.543 30 10 IJEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CNc2ccc(C)cc2C)cc1=O 1870813589 RXKVXUUNETWXQA-RUZDIDTESA-N 447.579 4.651 30 10 IJEE C=CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870813959 NJAWRKRTWVNRIZ-UHFFFAOYSA-N 433.552 4.625 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1870884547 GAVNNRBRBJCUED-UHFFFAOYSA-N 445.519 4.594 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1ccc(Cl)cc1 1871172512 QLKABFZVRLTSDP-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE COc1ccc(OCCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 1871345302 FUEMWPFDJSLZNU-MYYYXRDXSA-N 443.499 4.851 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CC 1872145138 LCSGFCLLKCDQAS-JOCHJYFZSA-N 429.586 4.621 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CCCC 1872194436 OGHLBLLSOFEJLV-FQEVSTJZSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 1872269481 ITHDYRICYPGHKB-MRXNPFEDSA-N 430.954 4.525 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(OC)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872332124 MTQCVCOWLYOYAL-HXOBKFHXSA-N 444.597 4.542 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2cccs2)C1=O 1873155028 YSKUFQHNIUORTG-UHFFFAOYSA-N 431.646 4.653 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2[C@H]2CCCO2)cc1OCc1ccc(Cl)cc1 1873505074 ZWDHFBRRQHKWHL-BYWZACNXSA-N 444.944 4.542 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(OC)cc1 1874369871 VMFSLHRDNHWHCL-YDZHTSKRSA-N 444.944 4.535 30 10 IJEE Oc1cccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c1 1874451770 OIUMXSNMHPRDSV-RIDKEVFESA-N 432.908 4.802 30 10 IJEE Cc1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc3c(c2)OCCO3)cc1 1874459034 UCWSGYGYCNIVMV-BHGWPJFGSA-N 434.443 4.551 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1cccc(Cl)c1 1874474129 OITBRFAQSSYWPK-BUVRLJJBSA-N 442.972 4.860 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)(C)C)cc1 1874485254 LIYIPZVZZWYMGZ-ZMOGYAJESA-N 432.553 4.707 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1F)c1ccccc1 1874486851 NPSJKBGTGAZPNN-MMDHUZEPSA-N 439.560 4.566 30 10 IJEE CC(C)c1nnc(SCCCO)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874515544 DODJWCGBHWDAPD-ZVHZXABRSA-N 444.988 4.991 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc2ccccc12 1874521974 VPBZMSNQZPMFBD-AFUMVMLFSA-N 433.512 4.746 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCC(=O)OCC(C)C 1874593332 DTOYOYPVYZDRPV-ONNFQVAWSA-N 447.325 4.932 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2ccccc2F)c(OC)c1 1875118903 UURLQKJIEYSYCV-OUKQBFOZSA-N 436.435 4.967 30 10 IJEE CC(C)N(CC#CCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(C)C 1891301207 SLKSYTZBFLAPEJ-UHFFFAOYSA-N 434.989 4.533 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12[C@@H](NC(=O)OC(C)(C)C)[C@H]3CC[C@H]1[C@H]2C3 1910249940 GSNDWHQMXYBOGK-PBSMACGISA-N 426.601 4.677 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCCC[C@@H]1C#N 1962933299 JGJSUDXIZXHRDL-YWWLGCSWSA-N 445.563 4.748 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1Cl 2010542795 GQRVBOJKUXYXQI-FOIQADDNSA-N 443.931 4.649 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)c(OCCCOCc3ccccc3)c2)OC1(C)C 2056733977 ONZNRZYRABIJJE-UHFFFAOYSA-N 436.279 4.990 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cc(Cl)ccc1Br 2060555330 KQBYSGQJRAKACS-CYBMUJFWSA-N 430.730 4.628 30 10 IJEE C#CC[C@H](C[C@@H](N)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076094708 HRRBRARCNHUUOF-DNQXCXABSA-N 439.644 4.703 30 10 IJEE CCc1ccc(C#N)c(NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2084740282 ZTNXEOXOWXBNPD-QHCPKHFHSA-N 434.584 4.654 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1ccc(Br)cc1C#N 2162296839 RKVPSYHEWMUMIH-RTBURBONSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N1CCCCN(c2ccc(C#N)cc2Br)CC(F)(F)C1 2174768102 ABOUDMOJOYBJMM-UHFFFAOYSA-N 444.320 4.793 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CN(c2cc(Br)ccc2C#N)C2CC2)C1 2174811924 DYKARYFLQWEVJN-OAHLLOKOSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 2174814685 KKEHGLHKZPOHHK-VQIMIIECSA-N 434.378 4.937 30 10 IJEE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1C#N 2174814826 MEDDEDXLKHVBBV-QGZVFWFLSA-N 437.382 4.722 30 10 IJEE CCC[C@@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 2180957120 NKQQLPMXAIRNMQ-FQEVSTJZSA-N 436.350 4.829 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2Br)C1 2181053872 QCMAXVORVGNJKJ-LSDHHAIUSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1ccc(C#N)cc1Br 2181113963 FULGHMPSLFRXDF-INIZCTEOSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)cc1Br 2181138768 FVZXCNOIFGOSPR-ZBFHGGJFSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)Nc2ccc(Br)cc2C#N)CC1 2205523547 SJLSJQZQDBOPFH-AKAXFMLLSA-N 436.350 4.733 30 10 IJEE N#Cc1cc(Br)ccc1NC(=O)Nc1ccc(I)cc1 2235463162 KWRGLBBJDSFACB-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](N)C#Cc1ccccc1Cl 2245950372 IIIZPRJBXVFSPU-RTWAWAEBSA-N 428.960 4.519 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)CCC2 2267101719 ZSAZKHOFMLSGON-ZWKOTPCHSA-N 442.365 4.795 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2269017835 OIMFRAMZNJKSOM-UHFFFAOYSA-N 444.312 4.968 30 10 IJEE O[C@H](C#Cc1ccccc1Cl)c1ccc(Br)cc1I 2277836893 FKJZRNXJBORXJS-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CC1(C)OB(c2cc(Sc3cccc(Br)c3)ccc2[N+](=O)[O-])OC1(C)C 2282934391 QSCLCZNYSJTTHL-UHFFFAOYSA-N 436.136 4.808 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(N)C#Cc1ccccc1Br 2285907806 AKJSKMJURHWWNO-FXDQFOLWSA-N 433.390 4.602 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296233684 ZTDXDICIRCAVLS-UFYCRDLUSA-N 436.390 4.691 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@@H](N)C#Cc2ccc(Br)cc2)C1 2296287936 ATDRKNFVTOVJIW-HKUYNNGSSA-N 435.406 4.801 30 10 IJEE Cc1ccc(C)c(S(=O)(=O)N=C2C=CC(=O)C(Sc3nc4ccccc4s3)=C2)c1 2296463555 ULMICLMKJFJLAK-UHFFFAOYSA-N 440.571 4.858 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CC2)C1 2305326184 SXWFXJCXSLHOMQ-PXDATVDWSA-N 428.573 4.698 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2317357721 BWWVEIBOJHVTHS-SDNWHVSQSA-N 430.354 4.505 30 10 IJEE Cc1cc(I)ccc1NC(=O)C(=O)C=Cc1cccc2ccccc12 2318788217 FXHFACFFJYYZRY-UHFFFAOYSA-N 441.268 4.974 30 10 IJEE CCOC(=O)[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O 2321839331 NIQUAOIHZPMWJV-ZDUSSCGKSA-N 431.282 4.704 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=CC=Cc1ccccc1)O3)CN(CCCn1ccnc1)CO2 2322107000 AZKMIXDGKNYBOZ-UHFFFAOYSA-N 427.504 4.606 30 10 IJEE Cc1c(OC(=O)c2ccco2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2322659555 RMVSQRJKKRZWSP-UHFFFAOYSA-N 438.819 4.943 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2)c1 2322667381 RLMSNRGVMWCZMG-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2=O)cc1 2322906324 AQQPSVPBIXITKE-UHFFFAOYSA-N 434.831 4.962 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc(O)c2CN(CC)CCc2ccncc2)C1=O 2324088513 ZUHOCMVMUBZVND-UHFFFAOYSA-N 444.531 4.867 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)o1 2325402404 HLZYKSUSAVGRTC-UHFFFAOYSA-N 449.415 4.868 30 10 IJEE Cc1cc(OCC(=O)Nc2nccs2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2325589483 ORRUNDYZWTYMRV-UHFFFAOYSA-N 426.881 4.739 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)C=Cc2ccc(OCC)c(OCC)c2)c1 2325642645 BJTVNAKMRMBEES-UHFFFAOYSA-N 439.508 4.662 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325728478 GPGHMEWRCKBXSB-UHFFFAOYSA-N 448.406 4.676 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccccc1C 2325744925 KLTNTQIKJKHOJH-UHFFFAOYSA-N 430.456 4.890 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3OC)c2)c(OC)c1 2325760905 PMAZWCFOMLLYNG-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccc(F)cc1 2326252279 QYLKNIJUPGMCGP-UHFFFAOYSA-N 440.544 4.988 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc(Cl)c1 2327853278 VFBGOAIINTVKFP-MRXNPFEDSA-N 431.993 4.596 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cccnc1 2328239782 VBVIBOGDOFBHHR-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(C(C)(C)C)cc1 2330765205 AJTKTQLMTIAKLM-UHFFFAOYSA-N 439.560 4.525 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1C 2330867412 MBADPGPPIHVAHB-UHFFFAOYSA-N 429.494 4.857 30 10 IJEE CCCSc1nnc(COC)n1N=Cc1ccc(OCc2ccccc2)c(OCC)c1 2331592550 WDZYAIXTMWBTON-UHFFFAOYSA-N 440.569 4.787 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)CC(C)C 2331892197 CZNGRXSTWCBTJR-UHFFFAOYSA-N 442.508 4.959 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OCc2ccc(NC(=O)OC(C)(C)C)cc2)n1 2337039358 FLLOKFKDWPDNHW-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE CC1(C)[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C[C@H]1OCc1ccccc1 2339297700 MYRHCMRKRGVFJC-XZOQPEGZSA-N 432.373 4.653 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@@H](N)C#Cc3ccccc3Br)CCC[C@H]21 2358759747 OWLPIZOVIAPIAP-QGZVKYPTSA-N 433.390 4.554 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]12CC[C@H]1CCN2C(=O)OC(C)(C)C 2360195194 ZVUDKHXLXHFGQL-JLMWRMLUSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(c3cc(Br)cc(F)c3C#N)C[C@@H]21 2361341308 RGUPMSFCTHFJRZ-ACJLOTCBSA-N 438.341 4.686 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(OC2CC2)c1 2362723146 XVBRJJQGDJCDOL-RTBURBONSA-N 437.378 4.558 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc4ccccc4c3)cc21 8959529 YQIQRLZYVKRUGD-UHFFFAOYSA-N 430.504 4.795 30 10 IJEE COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4C)nn32)cc1 20327948 HVEKPIFKYZWUSK-QFIPXVFZSA-N 432.549 4.909 30 10 IJEE O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 20508876 UMWCIRXTWCZBJP-FDHBPBSMSA-N 445.500 4.550 30 10 IJEE C=C(C)CN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc(CCC)cc1 22796700 LMNMCEVTMVJNKG-UHFFFAOYSA-O 432.407 4.794 30 10 IJEE O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 41660559 FJTLJPZKSRCXTJ-REGBWQCZSA-N 439.467 4.940 30 10 IJEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(Br)o1 54643522 RQQCIBQYKOOTRK-QGZVFWFLSA-N 445.342 4.804 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1)C1C2CC3CC(C2)CC1C3 59019671 KJFOZUXDAVDMAO-AUEPDCJTSA-N 429.977 4.638 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccs2)c1 169982223 SCLIUJPYWBGERM-NRFANRHFSA-N 434.517 4.606 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccnc2)cc1 170007106 GQEXJTZQAYDVDJ-XMMPIXPASA-N 428.488 4.582 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCOC)cc1 170034249 MFQHRSAQEMRYOJ-QHCPKHFHSA-N 448.519 4.572 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170050999 SFCLPHCEKSUYIC-XMMPIXPASA-N 441.483 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 170078312 INOANZGSHQRWRV-JOCHJYFZSA-N 445.475 4.987 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(O)cc1 170135464 PLPBXZNFHHXRNO-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)cc1 170142164 KYMRAQCSGXWIMA-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccnc1 170196692 JBOUQLBMGRKCKY-QHCPKHFHSA-N 430.504 4.628 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)c1 170204347 XYHZSXSKMLKUKP-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccncc1)c1cc2cc(Cl)ccc2o1 170209157 AREZJWKZINMDND-NRFANRHFSA-N 445.862 4.655 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@H]1c1ccc(Cl)cc1 170235793 VGSOVQQZIAILPH-OAQYLSRUSA-N 443.927 4.580 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@H]1CCCO1 170273779 MEPCBZQGQHEZGP-ZJSXRUAMSA-N 427.500 4.906 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2C)c1 170277980 NDJUCQDHJGRZHA-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccc(F)cc2)cc1Cl 170376468 QZQZFJCCRMOHLB-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc([C@H](NCc2cccc(OCc3ccccc3C#N)c2)c2nccn2C)cc1 237364313 SSQIVJXYSBMRRM-SANMLTNESA-N 438.531 4.759 30 10 IJEE CN(C)S(=O)(=O)c1ccc(Cl)c(N=C/C(Br)=C/c2ccccc2)c1 254742742 SAHAMNFJJDDHEC-BYPWERGSSA-N 427.751 4.729 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN3c3ncnc4ccccc34)c2)cc1 442496312 BYLAWDNIMVULCS-XMMPIXPASA-N 435.487 4.901 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 479830461 NWIBSRNCKXGXJG-UHFFFAOYSA-N 437.352 4.830 30 10 IJEE C=CCOc1ccc(CNCc2nc3cc(Br)ccc3n2CC)cc1OC 483507357 QUFJBSIKKHVLJW-UHFFFAOYSA-N 430.346 4.682 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1OC1CCOCC1 488681334 GRMUIDANPNWSBW-UHFFFAOYSA-N 429.448 4.512 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)cc1C#N 490613075 XBHYXEDRPOAGHQ-CQSZACIVSA-N 437.496 4.590 30 10 IJEE C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 503050901 GAKRBPUZLSYONW-SSOJOUAXSA-N 440.515 4.844 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 504072918 AEKBPSWKNQCDLW-RUZDIDTESA-N 433.508 4.532 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 508939251 RQSZCDFGYIDPSS-OAHLLOKOSA-N 430.940 4.538 30 10 IJEE C=C(C)C[S@@](=O)CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 526884089 ILMBLKDOQALGIB-HHHXNRCGSA-N 425.959 4.509 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Nc2cccc(C)c2)CC1 549256781 OJUNZJTYALTWTE-UHFFFAOYSA-N 447.583 4.928 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](c2cccs2)C1 559010496 JTBYPQCBULWMIK-KRWDZBQOSA-N 445.386 4.923 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)c3cccc(OC)c3)C2)c1 586000720 BMZPXFGHVZHFRV-JOCHJYFZSA-N 435.568 4.567 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@H](CN)c1cc(Br)c(Br)s1 698280014 MHVVCCPPERQXDU-SNVBAGLBSA-N 440.201 4.696 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 698373673 JMQSLAWYZSMONR-NTKDMRAZSA-N 429.561 4.963 30 10 IJEE Cc1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(O)c2Cl)s1 735666806 OKVXQBJOWGSBQK-UHFFFAOYSA-O 428.946 4.898 30 10 IJEE C#CCOc1cccc(NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 741925380 PNLYVBQQNGLQDJ-UHFFFAOYSA-N 441.527 4.965 30 10 IJEE COc1ccc(-c2nc(CNc3ccc(OCc4cccc(C#N)c4)c(F)c3)no2)cc1 753122357 IASHYPAFQDDSJO-UHFFFAOYSA-N 430.439 4.947 30 10 IJEE COc1ccc(-c2nn(CN3CCC(C)(C#N)CC3)c(=S)n2CCc2ccccc2)cc1 779879686 NSSQHRAVJUUTMR-UHFFFAOYSA-N 447.608 4.916 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 792227739 BWXNOAHSCHKNFU-JWQCQUIFSA-N 427.504 4.654 30 10 IJEE C#C[C@@H](CCC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 1129727749 HNUSCJKURKNXIJ-HNNXBMFYSA-N 439.412 4.918 30 10 IJEE CNc1ncnc2cc(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)ccc12 1136577257 BKNFBHPGBXIHQP-UHFFFAOYSA-N 427.439 4.514 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 1136611021 WMNSYILJMJNKJY-MSOLQXFVSA-N 434.968 4.802 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1139355623 HEFBQUKYDGFGTH-OAHLLOKOSA-N 427.353 4.879 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 1142214585 CXUPYPRACJZNDN-CTNGQTDRSA-N 433.577 4.845 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1148506063 SFBHBUACRZPTPT-HDICACEKSA-N 434.920 4.603 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(C(F)(F)F)cnc1O 1154111794 NHPUAAVEVKNHBW-NSHDSACASA-N 432.242 4.858 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(Nc2cnccn2)c1 1162667643 GICMWBZNUVTLRR-OAHLLOKOSA-N 425.414 4.793 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(F)(F)F 1167379067 LCBYXVSUGATBKJ-BTYIYWSLSA-N 446.469 4.927 30 10 IJEE C=C(C)[C@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(F)c(F)c1 1169474972 WPMRRHAXLHSGJD-MOPGFXCFSA-N 426.385 4.876 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(Cc2nc(C3CCCC3)no2)CC1 1174826613 BEKWKIGGJNRYIA-SFHVURJKSA-N 442.629 4.647 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 1182497964 GXYHTOTUDSGVBD-CYBMUJFWSA-N 437.828 4.993 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1Br 1185466467 DUQSPYZJSNFSQV-UHFFFAOYSA-N 427.751 4.575 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2ccccc2Cl)c2ccc(F)cc2)c1 1192442728 CJVXYELARSCCMT-UHFFFAOYSA-N 435.886 4.815 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)Nc2nc(C3CC3)c(Cc3ccccc3Cl)s2)C1=O 1205246371 XPVYGHAIUQLEKJ-KRWDZBQOSA-N 444.988 4.515 30 10 IJEE CCc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)o1 1209890706 DWYXCPCUGKFXKL-SFHVURJKSA-N 437.359 4.782 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1)c1ccc(Br)cc1 1219902474 HLXDEAIGBYUZMN-FZVHGAAGSA-N 427.298 4.521 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 1220692843 FBHUBYXLHGTTSJ-KOSHJBKYSA-N 429.495 4.742 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 1221993114 SMEYFDGCXOTPQF-QFIPXVFZSA-N 432.499 4.665 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)CC1 1233553845 LZWRUSCJLZMIEO-TZYHBYERSA-N 435.568 4.897 30 10 IJEE C#C[C@@H](NC(=O)N(C[C@@H](O)COc1ccccc1SC)C(C)C)c1ccc(Cl)cc1 1252448589 JBYFFRTTXMKWCS-WOJBJXKFSA-N 447.000 4.596 30 10 IJEE CCc1oc2ccccc2c1CN(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1252506954 GLZNDMQJAPDWFV-UHFFFAOYSA-N 430.552 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCCOc1ccc(F)cc1 1286523143 WOYGPYFUYVYXPL-RUZDIDTESA-N 433.531 4.639 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCCc1ccc(OC)cc1 1286557074 SYESOKBOGLMLCU-LADGPHEKSA-N 438.616 4.995 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC1(C)C 1286604412 SNJXAROXBQSYSP-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1C 1286686245 DJEHQBJUBPAPBO-UHFFFAOYSA-N 445.615 4.753 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(CC)C1 1286749940 ISODKZNLBRJSDV-NRFANRHFSA-N 435.641 4.773 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1286754009 OKHKEXKOAVJNGZ-UGKGYDQZSA-N 434.613 4.663 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)C)n1Cc1ccc(N2CCCCCC2)nc1 1287597458 HVVXSKALQMXXCL-UHFFFAOYSA-N 437.636 4.991 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc21 1289391076 UKTVDGOIXQCZAU-IAGOWNOFSA-N 433.512 4.865 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 1293836449 CWJLWKONJIINHY-ZEQRLZLVSA-N 445.563 4.892 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](CC)[C@@H]2C)c1 1296702058 QQQRJNAYTQCKHQ-ROUUACIJSA-N 447.000 4.982 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1300383887 JDLISJUXTDUFSV-CEXWTWQISA-N 428.602 4.560 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1300422287 JSNRSTYDEYEQQH-PMACEKPBSA-N 430.980 4.564 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccsc1Br 1300431357 GANKAHBOBNXLLW-QGZVFWFLSA-N 429.387 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cnn(C)c1 1300904590 ATNVDQMFMPPGTB-UHFFFAOYSA-N 449.784 4.545 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(C)o1 1300994134 MYBHFBNYTKIAQS-OAQYLSRUSA-N 436.556 4.713 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 1301166180 QSRNCUKEZHLSAV-UNMCSNQZSA-N 431.584 4.628 30 10 IJEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)C1CCCCC1 1301218313 MFDALVJUSBRADZ-SFHVURJKSA-N 444.649 4.609 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(Cl)cc1 1301312588 IIDUSPVEOCPKMZ-IZAXUBKRSA-N 445.995 4.567 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(Br)s1)C1CC1 1301323939 XIJLDSXYQDIILB-MRXNPFEDSA-N 437.407 4.741 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCS1 1301341942 QCBYPBYTOZJDHD-NRFANRHFSA-N 435.622 4.890 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1CC(F)(F)Br 1301397143 OBYKMGBQKIDEBV-UHFFFAOYSA-N 441.320 4.640 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC(Cn4cc(C)cn4)CC3)nnc2C(C)(C)C)cc1 1301529735 MXUYLQAZMHUYLF-UHFFFAOYSA-N 448.615 4.610 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 1309640087 XVHTZNAHMHHURE-FCHUYYIVSA-N 427.566 4.654 30 10 IJEE C#CCN(C(=O)Cc1cccc(OC)c1Cl)[C@H]1CCOc2ccc(Br)cc21 1353634969 PJBWTXSIYFKEEF-KRWDZBQOSA-N 448.744 4.639 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 1353677524 HNJSBWXEXKPITJ-UHFFFAOYSA-N 431.439 4.997 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1357290456 DXAVFRLTEPOVEV-MHZLTWQESA-N 434.580 4.823 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](C)NC(=O)CCc1ccccc1)c1ccc(C(F)(F)F)cc1 1357296359 MFMDFOSAYOLQOA-DYESRHJHSA-N 432.486 4.966 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C(C)=C/c2c(Cl)cccc2Cl)cc1 1357309884 PAUJMBMNSBTOEL-BUHFOSPRSA-N 439.364 4.842 30 10 IJEE COc1ccccc1C(C)(C)CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1357470331 BEJFRBPSMLTDFM-UHFFFAOYSA-N 439.987 4.921 30 10 IJEE C=CCN(C(=O)c1ccc(I)c(Br)c1)c1ccccc1 1357805806 HEOPTPSAMSAOHB-UHFFFAOYSA-N 442.094 4.887 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)Cc3ccn(CC(F)(F)F)n3)cc2Cl)c1 1358086614 GXWBQPHSPCQEAX-UHFFFAOYSA-N 448.832 4.731 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1358908937 OWRFSACLYRPEFP-QFIPXVFZSA-N 437.607 4.980 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCC(N2CCCCC2)CC1 1358917074 GAUGWFOLZGUGTR-UHFFFAOYSA-N 449.643 4.678 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCc2sccc2C1 1358921677 GFVCGNYJYNWFQP-UHFFFAOYSA-N 427.371 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1ccc(Cl)c(OC)c1 1359072744 PFVUDKVCGVRJNM-HSZRJFAPSA-N 441.000 4.827 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCCC1(F)F 1359073321 LTJDKEPAHXPNHQ-WMZHIEFXSA-N 428.527 4.983 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)C1CCCC1 1359094906 HNBWUMJGIDVIIN-CVDCTZTESA-N 440.588 4.712 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(OCC)c(OC)c2)nnc1C(C)(C)C 1359105149 KPQSHUQUFMIECQ-SIKLNZKXSA-N 442.604 4.601 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359117648 MIBQLRNXSZVGCN-RXVVDRJESA-N 428.577 4.644 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCSC2)CC1 1359168381 RPDMQAZBCHTXFP-MRXNPFEDSA-N 449.418 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1359184118 CSOIAJGFSCJCBZ-LJQANCHMSA-N 425.968 4.634 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cccc(C(F)(F)F)n1 1359231515 YBJQUWUDHIYSFF-CQSZACIVSA-N 435.425 4.642 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CC1(N2CCSCC2)CCCC1 1359260766 NIHHMCSGVZFFIL-UHFFFAOYSA-N 443.636 4.534 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)OC 1359276245 WQNFIACGGRQBAR-FGZHOGPDSA-N 440.632 4.857 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(F)cc2C(F)(F)F)C1 1359311890 KNNZVRVPSRHNSI-PBHICJAKSA-N 426.458 4.779 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2(C)CC2)C1 1359315009 MNTZOLSCUDBMRM-MRXNPFEDSA-N 449.368 4.818 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3cc(Cl)cc(F)c32)nnc1-c1ccco1 1435047695 XNIWKVPLPUEHSA-UHFFFAOYSA-N 446.935 4.978 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(Cc1ccccc1)C(C)(C)C 1435712360 BHNGGDMPHHKSIP-UHFFFAOYSA-N 445.357 4.926 30 10 IJEE Cc1cc(COc2ccc(C(=O)Nc3cc(C#N)ccc3F)cc2Br)on1 1436642739 GYZCQMMZSGEEEF-UHFFFAOYSA-N 430.233 4.588 30 10 IJEE C#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(Cl)c1 1439801339 GSHLFUVDCTUKFQ-UHFFFAOYSA-N 445.744 4.575 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1 1440869919 MBFYSSJYYFPPPF-UHFFFAOYSA-N 432.501 4.816 30 10 IJEE CC(C)(C)c1nc2cc(NC(=O)COc3cccc(Br)c3C#N)ccc2o1 1441270688 AJLLTQZLZQMWRS-UHFFFAOYSA-N 428.286 4.777 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1noc(-c2ccc(F)cc2)n1 1442974437 RBUMXKFUBMIFEJ-UHFFFAOYSA-N 434.240 4.606 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(OC)c2)CCCC1 1443775516 AHMFFXFLCGVSNH-NRFANRHFSA-N 430.589 4.873 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccn(-c2cccc(Br)c2)n1 1447755269 QMXHDFGGZQMXTP-UHFFFAOYSA-N 426.314 4.785 30 10 IJEE C#C[C@@H](CC)NC(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1448961953 KCCQITVMFRUTFJ-SFHVURJKSA-N 432.564 4.858 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CN(C(=O)c2ccccc2)c2ccccc2)cc1 1459265184 NQHXZNGDNNSEKX-UHFFFAOYSA-N 442.515 4.982 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)C2CC(C)(C)C2)c1 1460756122 CNLYPAHVVFGRBU-UHFFFAOYSA-N 447.000 4.982 30 10 IJEE CCN(CC)CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccc(Cl)cc1 1461405684 BNYKWDJWXIAQGN-UHFFFAOYSA-N 435.959 4.694 30 10 IJEE C[C@@H](C#N)CNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1465201625 GGKPLWMEYYCPDU-AVRWGWEMSA-N 439.515 4.542 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cn2)cc1C 1465269043 AEAYWWMPWPGBKX-UHFFFAOYSA-N 445.498 4.856 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ncccn2)cc1C)c1ccc(Br)cc1 1465425598 JTKVEQAIXTVFGN-SFHVURJKSA-N 437.297 4.836 30 10 IJEE C#CCOc1ccccc1NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21 1466979053 OTRWRTAKQWLLJG-UHFFFAOYSA-N 430.430 4.533 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CCc2ccccc2)ccn1 1472522402 LZNWHQOTPNSFPO-IBGZPJMESA-N 429.948 4.841 30 10 IJEE N#CCOc1ccc(NC(=O)N2CCCC[C@H]2Cc2ccccc2Br)cc1 1475877012 HNNXWOMHVRQJTG-SFHVURJKSA-N 428.330 4.981 30 10 IJEE Cc1ccc([C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)N2CCCC2)cc1 1475929325 BNULRUFRDJVYGG-QHCPKHFHSA-N 445.592 4.873 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1SCc1ccccc1OC 1476268320 RPIGPSWZZICJQK-UHFFFAOYSA-N 440.565 4.796 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4c(Br)ccc(F)c4C3)cc21 1477135351 WHMUMSFSIIBURD-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(C)(C)c1cccs1 1507524039 RSVSQTSKGPFGTC-KRWDZBQOSA-N 438.597 4.850 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1507559346 QWKDCHVFLXGDRV-YADHBBJMSA-N 435.616 4.578 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1507560505 IKBJESFQAJARRJ-UHFFFAOYSA-N 426.992 4.881 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCC(C)CC1 1507819330 ZMJJCNBYATXRJY-QFIPXVFZSA-N 447.631 4.654 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)c1ccccc1 1507930493 XNZOYBAMRDDHAB-LEWJYISDSA-N 435.547 4.782 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2nccs2)C1 1507944620 UBVOOXXMVRMIKC-LPHOPBHVSA-N 443.548 4.558 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC1CCN(C2CC2)CC1 1508004964 MWGTWXWQEXOEFU-UHFFFAOYSA-N 425.596 4.782 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCC[C@H](C)C1 1508109229 PQEFVTSIWONCSM-CVDCTZTESA-N 448.615 4.768 30 10 IJEE CC(C)(C)CCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508602773 DEGURXUKTQHFMS-HSZRJFAPSA-N 444.583 4.540 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1scnc1C 1513224959 GDNKWTJYJKEXLU-YKSBVNFPSA-N 434.613 4.958 30 10 IJEE N#C[C@@H]1CN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CCN1Cc1ccccc1 1521475729 HYJBVTJXUZPWLE-LJQANCHMSA-N 428.363 4.652 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCOc1cccc(Br)c1 1525731430 YQLLXBBAWBRJCY-UHFFFAOYSA-N 434.378 4.990 30 10 IJEE C=CCC[C@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1 1527817030 VEAXDFXPGWVDEL-XZOQPEGZSA-N 446.513 4.945 30 10 IJEE C=CCN(C(=O)c1ccccc1CCC(F)(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1529015561 XYTUKJKXKOTCAX-NRFANRHFSA-N 433.470 4.984 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccccc1SCc1occc1C(=O)OC 1529652298 VWRSXOWYFRDACV-UHFFFAOYSA-N 437.517 4.853 30 10 IJEE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1532438033 AGQHFUZQUAUKAE-KRWDZBQOSA-N 442.606 4.808 30 10 IJEE Cc1ccc(-n2nc(Br)cc2C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 1534570538 BLXKNEHKHBLWRX-UHFFFAOYSA-N 426.318 4.624 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1537317066 KVPAYUWEDMQJLG-RXVVDRJESA-N 429.944 4.605 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOCC2(CCC2)C1 1539052981 XEGLKUWBUCHMPU-UHFFFAOYSA-N 443.389 4.518 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccc(C)s1 1539190828 SJQDZCRMFGPIPT-UHFFFAOYSA-N 428.989 4.739 30 10 IJEE CC(C)(C)c1ccc(C(F)(F)C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 1539378835 CVHQFPFJLFVOMT-OAQYLSRUSA-N 429.486 4.624 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCCCCCC1 1539497187 HWMXBRHSKIZQIL-UHFFFAOYSA-N 433.419 4.845 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccc(C)o1 1539533846 VZQACSQPFGLPAK-SVFBPWRDSA-N 442.629 4.806 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1 1539550605 RXKPBJAAGPNGRY-UHFFFAOYSA-N 428.554 4.545 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1539607376 DOLXMGMJLCCLAD-AWEZNQCLSA-N 437.357 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1(COC)CCCC1 1539670018 WGSAKEBXMZUXPV-QFIPXVFZSA-N 440.588 4.790 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCOC)Cc1ccco1 1539690906 BCWOXNWBCYVQHI-KRWDZBQOSA-N 426.586 4.954 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539693557 OXRITRWJSIZSAD-NRFANRHFSA-N 434.588 4.674 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1539775816 PQPFRPXZFKWSRF-VGOFRKELSA-N 449.020 4.903 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1539921295 UTCZGYVUABTGSI-IIBYNOLFSA-N 430.543 4.753 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nnc(C)s1 1540173885 CWLKJWUIXWJMJV-UHFFFAOYSA-N 438.601 4.541 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1Cc1nc(C(C)C)cs1 1540196036 NLUUMEJISLXSPR-UHFFFAOYSA-N 436.585 4.693 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540922541 QOYLWPICXBMOTI-QRVBRYPASA-N 449.665 4.594 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ncc(C)c(-c3ccccc3)n2)nnc1-c1ccco1 1542544553 MEXRRKDIILPFEM-UHFFFAOYSA-N 446.536 4.610 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 1543196687 BDUWNNYSAWIZOV-QGZVFWFLSA-N 431.492 4.840 30 10 IJEE C#CC[C@@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)CCCN1C(=O)OC(C)(C)C 1544083357 GAPKJOKATJTKGS-YKSBVNFPSA-N 432.992 4.989 30 10 IJEE C=CCn1c(SCC(=O)OC2CCC(OCC)CC2)nnc1-c1ccc(Cl)cc1 1544817368 WULWQPBDWZXAJR-UHFFFAOYSA-N 435.977 4.768 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCSC[C@H]3c3cccc(C(F)(F)F)c3)C2=O)cc1 1559761628 CNISEVSZPMISEP-RTWAWAEBSA-N 445.510 4.863 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 1560626818 BZLYRTFICIDAOV-LJQANCHMSA-N 438.291 4.850 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1C)c1ccc(Br)cc1 1562294311 UDZFNCDGNQQJLZ-LJQANCHMSA-N 442.357 4.639 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 1562368849 DBNWZOLWYKBLMG-DYVFJYSZSA-N 446.935 4.800 30 10 IJEE N#CC[C@@H](CC(=O)N(CCc1ccccn1)c1ccc(Br)cn1)c1ccccc1 1584482086 CLIJAKWYZGRRMM-IBGZPJMESA-N 449.352 4.902 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1csc(-c2ncccc2F)n1 1584641460 AIZCSRSSNSSWQE-UHFFFAOYSA-N 434.290 4.924 30 10 IJEE C#C[C@@H](NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1)c1ccc(Cl)cc1 1584689645 MKWAEVKQXHOZSP-HXUWFJFHSA-N 429.969 4.534 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1CCC 1587593943 QGONEPHKCCDXKT-AEFFLSMTSA-N 434.415 4.974 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCCC1 1587909951 YNRINGJWWWJMOS-HXUWFJFHSA-N 444.023 4.634 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCO[C@H]1C(C)C 1587932708 ZKSZYNWWODWMQH-SPEDKVCISA-N 426.630 4.652 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCC2(CCCCC2)O1 1588020064 CMZYUMIUVOQMOM-LJQANCHMSA-N 440.613 4.530 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@@H](C)C1 1589006411 DYVNVUVOLZYLDX-BZSNNMDCSA-N 428.671 4.980 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1 1589567870 GLVFKVLGVQJHKV-QPPBQGQZSA-N 449.599 4.585 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1593631113 SSBLFKTYFYQFQC-HOTGVXAUSA-N 431.378 4.634 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)c1nccs1 1593683486 LHAKOABYSSLHBV-SJORKVTESA-N 446.621 4.623 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CC2(SC)CCC2)CC1 1594438493 UTAGNTOGTPIEAH-UHFFFAOYSA-N 428.602 4.554 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1scnc1C)C1CC1 1595020801 OASIUKMZLXDKJQ-MRXNPFEDSA-N 427.549 4.720 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCc1csc2ccccc12 1595171800 YNJCFWPIPACGIO-UHFFFAOYSA-N 444.564 4.561 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1595871253 LCJHDYASVZZZAZ-AWEZNQCLSA-N 433.419 4.961 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 1596537881 FHMLLBRIDMHOHA-QHCPKHFHSA-N 432.545 4.599 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CCCN1C[C@H](C)C[C@@H](C)C1 1596806392 GLWKDYMWJZQYSE-GUDVDZBRSA-N 429.012 4.562 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 1611454008 XKCVNYLLVRLXFI-HXUWFJFHSA-N 448.991 4.929 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 1615366393 YVCDGMKXIYGYQJ-IBGZPJMESA-N 439.581 4.934 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2cnc(NC(=O)OC(C)(C)C)s2)cc1 1620961944 HUDYBFNBWBKMPY-UHFFFAOYSA-N 428.558 4.916 30 10 IJEE C=CCn1cc2ccc(NCc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)cc2n1 1621082275 UXCVCQGVMHOVTG-LJQANCHMSA-N 436.556 4.986 30 10 IJEE C=CCCCN(CC)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1623211561 RPLOESIWPSUFPA-UHFFFAOYSA-N 433.618 4.555 30 10 IJEE C=CCCC[C@H](C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1623907845 AVTZUPPAQMZJJP-NRFANRHFSA-N 443.632 4.797 30 10 IJEE COc1cccc([C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)c2cc(F)ccc2OC)c1 1625505143 HGWCXFRSGYBGNH-KRWDZBQOSA-N 446.891 4.736 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)c1 1628588334 SNLIRWFYVGCYKB-UHFFFAOYSA-N 429.969 4.722 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1Oc1cccc(F)c1 1628613444 GOYQVKGUCLYSIP-FQEVSTJZSA-N 426.488 4.541 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 1633838042 JSWFABXZNPSKBY-FDFHNCONSA-N 449.929 4.607 30 10 IJEE C#CCN(C(=O)c1cccc(N[C@@H](C)C(C)C)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1634817699 HGIORLTWLKANEP-FQEVSTJZSA-N 441.616 4.926 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC 1638664167 DIZHPYPNOYDDGW-LEWJYISDSA-N 426.513 4.787 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1 1638917003 PRKFXAHVEBCAAB-HXUWFJFHSA-N 433.305 4.806 30 10 IJEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCCC1 1640149286 DMVUNMGGIRKFLE-UHFFFAOYSA-N 434.540 4.869 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCCCCC3)[C@@H]2c2ccccc2)cc1 1648894465 MMTVQVZTFZYLFU-QHCPKHFHSA-N 438.593 4.689 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCSc1nccs1 1649538407 QLOSPBQCUDZACL-SFHVURJKSA-N 437.638 4.845 30 10 IJEE C#CCOc1ccccc1CN[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1656214343 QKBAOIPREXMRTR-OAQYLSRUSA-N 427.386 4.837 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CCCC1 1657711583 HGYOZAGXEBXNHM-UHFFFAOYSA-N 449.617 4.518 30 10 IJEE N#CCc1ccccc1S(=O)(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 1659634881 DBUKWGFNTFDRGE-UHFFFAOYSA-N 436.499 4.805 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccc(Br)cc1 1663547635 AHJRQKLXTNTXKG-GFCCVEGCSA-N 437.117 4.548 30 10 IJEE C#C[C@H](NS(=O)(=O)Cc1cc(Cl)sc1Cl)c1ccc(Br)cc1 1664134145 XPJOZXCXDYSFOA-LBPRGKRZSA-N 439.183 4.611 30 10 IJEE C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 1664991286 GXEFAHMXUCMBKT-SFHVURJKSA-N 428.863 4.930 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccc(C(F)(F)F)cc1 1668172958 YAIWLHNGSSMXIU-LJQANCHMSA-N 441.471 4.868 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)CC1 1671679904 PNHWLMCAZZCPSH-NRFANRHFSA-N 429.561 4.863 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(CC)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)C1 1676030833 JOSYDCXCPJNKOA-AREMUKBSSA-N 447.623 4.820 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1 1680958836 AUNWOOPUNXNCDB-RXVVDRJESA-N 431.577 4.743 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCc2ccc(I)s2)CCCC1(C)C 1683741595 ZOFUINPZMZJNIK-AWEZNQCLSA-N 432.371 4.672 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 1684483049 DURSDLVZOICGGW-OUIFVKKZSA-N 433.596 4.661 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Sc2ccccc2)CC1 1689866874 MHBDSHPCFZLMIF-CEWLAPEOSA-N 438.641 4.980 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)Cc1csc(Br)c1 1689897971 NPQHJLNIRDXSOV-UHFFFAOYSA-N 444.402 4.528 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1690098089 VGESMUZXKWFUNY-OAQYLSRUSA-N 442.991 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(Cl)nc1 1690193836 TVSITPNLSKOMIK-QMHKHESXSA-N 439.922 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1cscn1 1690237848 BPXRDOMYMJZAOA-BVSLBCMMSA-N 437.613 4.894 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC=C(Br)C1 1690300463 BSJVRJYOKWYSTI-HXUWFJFHSA-N 445.405 4.902 30 10 IJEE C=C(Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690326076 RFPPEPGCSOXJGJ-YKSBVNFPSA-N 446.542 4.514 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1690375476 MFPNNYFJFYPGHQ-LJQANCHMSA-N 431.625 4.670 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccnc1 1690515546 OXDHOFONCARHDZ-GOSISDBHSA-N 425.964 4.948 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1690529781 AIIZKIGAGKSYBE-NZQKXSOJSA-N 437.613 4.732 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H](c1ccco1)N1CCCC1 1690532396 NIKRWYGVCFJGIB-OAQYLSRUSA-N 435.572 4.526 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1)SC 1694262747 GGUREEUFVVGIAQ-LAUBAEHRSA-N 439.629 4.742 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC[C@@H]1C 1705609963 XNEFGMGLIKDUMF-DOTOQJQBSA-N 431.378 4.612 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705749254 QMBXFSCCUPYFTK-UHFFFAOYSA-N 439.007 4.990 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CC(C)C)C1CCCC1)c1ccccc1 1705797413 WAYBAEOXDLWNEP-FYYLOGMGSA-N 435.616 4.994 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1705812007 PHKXNFQHTUNLLD-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc2cccnc12 1705847395 RPJCKKDMTFPHEB-FQEVSTJZSA-N 448.571 4.569 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1Cc1cc(C(C)(C)C)no1 1705877725 OADAIPLKCDTKMF-UHFFFAOYSA-N 442.567 4.909 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1705881867 DRWBWUVQQMETBF-JTHBVZDNSA-N 440.632 4.943 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccccc1C 1705886218 BNYFLKXIFMXQJM-GOSISDBHSA-N 426.362 4.882 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC1CC1)C1CCCCC1 1705903902 YGWLPUKUCSMNBW-UHFFFAOYSA-N 445.970 4.589 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1708484780 AWWHNWVGHUTSFD-MWTRTKDXSA-N 447.530 4.774 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1708575845 FEUSDRITLIYGBW-PXNSSMCTSA-N 440.592 4.602 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)C1 1711594219 DHSHYSGCUSFBFW-KNQAVFIVSA-N 429.515 4.648 30 10 IJEE CS[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCCCC2)C1 1712727416 HAICEZPHWFBGCZ-QGZVFWFLSA-N 427.643 4.824 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1csc(C)c1 1722279769 CGWLVMHOGVNITG-LBPRGKRZSA-N 433.350 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1722281684 JJAAFWQXIKSMKD-SIKLNZKXSA-N 449.002 4.597 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)COCC 1722389130 DSXSCNHEIJETDJ-IBGZPJMESA-N 438.641 4.657 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)[C@@H]1C 1722456545 WRNNGNIPBPIUFA-KBPBESRZSA-N 441.453 4.949 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 1722465061 WTSGHMWPNLBQKZ-YPAWHYETSA-N 438.641 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1CCSC(F)(F)F 1722469130 URZHFZCLVSLRPC-HXUWFJFHSA-N 434.531 4.993 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccc(F)cc1 1722504682 HIZMACRKIPLYBG-OFNKIYASSA-N 435.547 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCC(C)CC1 1722515516 NUJRZSOCXSOCFY-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1722528796 PCMMWVORFVIPAZ-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722543181 MPZHKZLUNLYWBB-AOMKIAJQSA-N 436.959 4.951 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722585170 QWMNQFIVSYSWNE-SFHVURJKSA-N 444.023 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722588123 KSZNRKMRCQKNTR-HLAWJBBLSA-N 429.008 4.986 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722589928 QUUFTLGSXBHTMW-PZJWPPBQSA-N 428.552 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1 1722590641 HMBJIJOXEAXSEF-UHFFFAOYSA-N 445.615 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC=C(Br)C1 1722592528 VXZJWWYNBDYXKU-UHFFFAOYSA-N 445.405 4.969 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722598055 XIBHTKPSMUTGAN-QFIPXVFZSA-N 434.588 4.965 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccsc1Br)C1CC1 1722650207 RUZQCEDFOWSFIV-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1CC[S@@](=O)C(C)(C)C 1722658765 LBOFUGPOJFCUMN-SSEXGKCCSA-N 428.646 4.751 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@H]1CCCN(CC(C)C)C1 1722659905 GVJKAQBYWZUBAV-FQEVSTJZSA-N 425.596 4.855 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@]1(C)CCCO1 1722661166 VNGHOLVBIUKXKC-QHCPKHFHSA-N 426.561 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1CCOC1 1722661465 GRWPZDNRUHPUOF-QGZVFWFLSA-N 439.541 4.534 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCn2ccnc2C1 1722668499 ZOGJRLDNJBNDAM-FCHUYYIVSA-N 446.599 4.672 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](OCCC)CC2)cc1 1722706340 RIZKMZGRRMWKEF-OAQYLSRUSA-N 435.572 4.672 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2cccn2)CC1 1722707275 LAFZAYCWNMPXEF-UHFFFAOYSA-N 448.615 4.593 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CC1CC1 1723782533 DOCMITRRNHKVCL-GOSISDBHSA-N 430.581 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1740560251 FMFFPLYJOJKINK-RTBURBONSA-N 433.625 4.541 30 10 IJEE C#CCCCCn1c(N(C)Cc2ccsc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740579165 IMZWYHIQCUWJNG-KDURUIRLSA-N 443.617 4.550 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)SC 1740677573 NCGBCNPJNMJROZ-UHFFFAOYSA-N 443.979 4.914 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCc1ccccn1 1740920861 WYXJCXQIBKLUEW-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1OCC 1740921850 LJZPDXJYZGNSFI-UHFFFAOYSA-N 448.596 4.688 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCSC2)C1 1740997334 YJTGOOGNFVPZGF-VGSWGCGISA-N 448.633 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)N(CC)CC 1748655654 DEIOJYGSIWAIGH-GHTZIAJQSA-N 436.991 4.535 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccc(O)cc2)CC1 1748706707 QPLNYOCGIQMSQV-UHFFFAOYSA-N 435.959 4.887 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1cccs1 1748913330 RZQXYFPHKCUTGQ-UHFFFAOYSA-N 432.391 4.535 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC[C@H](F)C1 1749058410 HRNMNLOIGBGZGU-BIENJYKASA-N 437.382 4.899 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749169162 RVGKHYUGQZBFMS-HXUWFJFHSA-N 425.577 4.507 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)N2CCCCC2)CC1 1749305909 WRJSRBRCBGOUNH-UHFFFAOYSA-N 429.559 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](COCC)C1 1749356013 VSSLVMUXZCXWKV-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccco2)C1 1749390180 BRVKAWBXVXDLNJ-HNNXBMFYSA-N 430.350 4.979 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1749465671 HEFHPVLCSNDRQK-LJQANCHMSA-N 427.593 4.746 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCS1 1749541895 WAYWSRNKWQXQNY-IBGZPJMESA-N 425.577 4.901 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnn2ccccc12 1749560645 SZTPEQLOFNCDCF-GOSISDBHSA-N 448.958 4.946 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1749587020 FMVQZOVWTOQYHX-PMACEKPBSA-N 445.567 4.848 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2sccc2C)C1 1749714381 ISXIFNHTJUACGY-LJQANCHMSA-N 428.989 4.722 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccc(O)cc2)CC1 1749752187 KZBLXEUXWMDLJX-UHFFFAOYSA-N 435.597 4.657 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(F)cc2C(F)(F)F)n1 1751616609 BRTLAYRCSURVAI-UHFFFAOYSA-N 444.436 4.595 30 10 IJEE Cc1cnc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCC2)s1 1751731989 GPKFCWJZOBCLPT-MRXNPFEDSA-N 436.585 4.534 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CC3(C)CCOCC3)cc2C1 1752081131 DDCWHWLKNLNADJ-IAGOWNOFSA-N 427.618 4.686 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOC1CCCCCC1 1760172906 CTDGTLUEVCHOTF-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C(C)C)N1CCCC1 1760298597 NLXUFUUXHKGSKD-RPLLCQBOSA-N 449.643 4.586 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1760310831 DRFRSDKECHGVCR-GOSISDBHSA-N 445.405 4.922 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCC(C)(C)COC)CC1 1760384292 RHCQPYDYZCGIBA-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2OCC[C@H]2C)CC1 1760398554 CNTZJHWLXUZDNP-UKRRQHHQSA-N 437.407 4.597 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760431912 DKYPHVYJXGGEPS-FQEVSTJZSA-N 436.398 4.643 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OCC 1760487162 KUCBEQUJQZVMAV-HXUWFJFHSA-N 438.597 4.873 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(OCC2CC2)nc1 1761357566 FPRNLTZKZIWJHB-MRXNPFEDSA-N 436.947 4.569 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H]2C)CC1 1762840109 HETDTMIEEVTVRM-HYBUGGRVSA-N 434.632 4.810 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)C[C@@H](C)C#N)o1 1763928754 AGLSXRVGRVOPLB-AWEZNQCLSA-N 442.951 4.500 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(C)c1C 1861645726 SWMGUPAKJXRZON-DEOSSOPVSA-N 438.612 4.886 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1Cl)c1ccccc1Cl 1862433205 XHAXWKQPHPGCOZ-YJYMSZOUSA-N 432.303 4.751 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(=O)OC)cc1 1862434854 IMPNAAFQUFVZQR-IBGZPJMESA-N 427.884 4.505 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862449559 NXIOPTHRRCYOHM-YJYMSZOUSA-N 427.884 4.503 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2cccnc2)c1 1862456085 JOVBREWXZQZMPH-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2F)c1 1862490910 GXPGXVXESSGCHL-JOCHJYFZSA-N 434.442 4.755 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1F 1862523435 HMQLXXWAWUGJHG-KZULUSFZSA-N 432.289 4.965 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862585014 MSEXORDLAMPNER-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1C(=O)O 1862651178 MWUIVDSOYBRUNT-JOCHJYFZSA-N 429.472 4.772 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862695482 GBPMBAHLPCSOFD-DEOSSOPVSA-N 448.563 4.702 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862697853 TVBWPSVJWLNWEA-XMMPIXPASA-N 443.499 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1c(Cl)cccc1Cl)c1ccc2ccccc2c1 1862717189 YENSLJRTHLMTDZ-HXUWFJFHSA-N 442.298 4.717 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862736673 MHIPLJPFIWAYMH-QHCPKHFHSA-N 442.471 4.724 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862746547 GTJSICGERMKQJV-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCCOc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862925945 NLJQHZRQIZQBNB-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 1863356971 PSUKTUQXGQNFFS-UHFFFAOYSA-N 437.499 4.738 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(Cc2ccccc2)n1 1867945224 GYYBFCQXJGABSW-UHFFFAOYSA-N 439.607 4.881 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2C[C@H](C)O[C@H](C)C2)nn1-c1ccc(C)cc1 1869938416 JEHPLAWGKCWCQI-BGYRXZFFSA-N 427.593 4.878 30 10 IJEE CCCCCCCOc1cn(CCCO)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870837434 GCNZQFNAZWVGEJ-UHFFFAOYSA-N 436.980 4.854 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1ccc2c(c1)OCO2 1871223814 JHGZGCMFOGQGSY-UHFFFAOYSA-N 448.519 4.613 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)O/C(=C\c1sccc1C)C2=O 1871370480 NWPKYYDFBPJZEU-NDENLUEZSA-N 436.485 4.974 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 1871374226 YRCRQCIJWFFOCC-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)ccc2C1=O 1871424736 VDWGBOAUVBFQQY-SDPDQUOZSA-N 443.499 4.958 30 10 IJEE Cc1ccsc1/C=C1\Oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2C1=O 1871435997 IZQRGMCGTJEPIF-RANIVTSPSA-N 430.485 4.950 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872270474 UCZXBPPRYDSBQQ-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N(CC)CC)cc1C)[C@H](C)CC)S(=O)(=O)C1CC1 1872589684 ROZQJQFISWMCGU-WZONZLPQSA-N 449.661 4.565 30 10 IJEE CC(=O)c1sc([C@@H](C#N)C(=O)CSc2nc3ccccc3n2-c2ccccc2)nc1C 1872727946 ICLNPGQFKDVJHK-KRWDZBQOSA-N 446.557 4.962 30 10 IJEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 1872775901 CWJNICRVFRZCSS-BFUOFWGJSA-N 447.491 4.834 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCCn2ccnc2)C1=O 1873159392 RYTXEQTYARFXNP-UHFFFAOYSA-N 436.600 4.784 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)cc2Cl)=C(c2cccc(Br)c2)C1=O 1873228662 WRKKAGRJGMXVLQ-UHFFFAOYSA-N 435.680 4.620 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OCc1ccc(C)cc1 1873499799 PACIONHKURUFDQ-BHGWPJFGSA-N 436.459 4.754 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccccc1Cl 1874218745 BOBZUHWYWRJDMX-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(Cl)cc1 1874218758 BWKPVBSXCVJNTR-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCO)n2/N=C/c2cccc3ccccc23)c1C 1874256479 CXNFDZOKIUUKKU-CVKSISIWSA-N 446.576 4.902 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cccc(Br)c1 1874351704 FUHLONGWVAKEHY-HYARGMPZSA-N 443.370 4.800 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)cc1 1874372629 JQNRREQXPGAOOH-LPYMAVHISA-N 449.001 4.706 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1c(F)cccc1Cl 1874430095 SHLNLWCAZRZWIQ-FSJBWODESA-N 432.908 4.665 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(F)cc2)cc1 1874437567 IAXBVPMTDVLOGG-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)c1 1874463860 FVVRROFNLDLWKX-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1ccccc1OC(C)C 1874523930 PBLXRGZTWNYULJ-ZVHZXABRSA-N 437.569 4.549 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2/N=C/c2c(Cl)cccc2Cl)c(C)c1 1874540962 FTKGVAOJJLMYFD-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccccc2F)cc1OC 1874571700 AVPOWVUPWJUHTI-ACCUITESSA-N 435.451 4.757 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(OC)c1 1874668796 OBBDIMACESETIP-VWLOTQADSA-N 449.595 4.994 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2)c(OC)c1 1874714177 HZDWLSBALZJZPV-JLHYYAGUSA-N 447.443 4.656 30 10 IJEE C=C(Br)CCOc1cc(Br)cc(I)c1 1888182616 BOZFDAPROFXYAP-UHFFFAOYSA-N 431.893 4.731 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2ccc(Br)c(F)c2F)C1 1892685086 VRCXDUBXMGRVEI-INIZCTEOSA-N 431.321 4.991 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)C1CCCCC1 1901482977 LWXHOJRZPKVVHY-JWQCQUIFSA-N 445.563 4.892 30 10 IJEE C#Cc1ccc(CNC(=O)[C@H](CC)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1901483707 QSQLLYRESPFTSR-SANMLTNESA-N 438.527 4.601 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)CC#N 1963190922 OGWGIEGJBLZZCY-KOSHJBKYSA-N 447.579 4.996 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Br)cc2C#N)CC2(CCC2)C1 1966422137 XWLUPSQNIPRZAT-SFHVURJKSA-N 434.378 4.590 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccc(Cl)c(Cl)c1)c1cccs1 2033812906 AXMWYEDPNLZAGS-ZDUSSCGKSA-N 438.317 4.689 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079041806 ZAYIMEZTBFDGIT-ZDUSSCGKSA-N 433.215 4.932 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1Nc1cccc(Br)c1C#N 2162301041 KGXQQFPKZVGTBP-RBUKOAKNSA-N 428.330 4.923 30 10 IJEE N#Cc1ccc(N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)cc1C(F)(F)F 2162314381 HDARRMBTROUOAS-MRXNPFEDSA-N 431.336 4.846 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1ccc(Br)cc1C#N 2174566086 SUIXRAKWQBENHU-LJQANCHMSA-N 436.394 4.788 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174814850 MNRYILCJXGWZSI-CXAGYDPISA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)CC1(C)C 2181098165 KTKDSPORMONELJ-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE CC1(C)CC([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C#N)cc2Br)C1 2181114519 LLLZIAFBCYJEHU-INIZCTEOSA-N 436.350 4.589 30 10 IJEE O=C(C1=CCS(=O)(=O)CC1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2217640181 WDJZXPAVGFFOFN-UHFFFAOYSA-N 448.540 4.772 30 10 IJEE N[C@@H](C#Cc1ccccc1Br)c1cc(Cl)ccc1I 2227477880 YACAOMUCZPUPAK-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CCc1ccc(C#C[C@H](N)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231156783 YIZOYJJOSQZTFI-LSYYVWMOSA-N 448.607 4.772 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1cc(Br)cc(F)c1C#N 2234591557 SLLDECYMHQZJAB-GFCCVEGCSA-N 448.283 4.907 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC1=CCN(C(=O)OC(C)(C)C)CC1 2235725720 DSNVQAWRGOXQHM-IBGZPJMESA-N 433.390 4.736 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C1(CNC(=O)OC(C)(C)C)CCC1 2235748075 WHRVKGIQJFGOTN-IBGZPJMESA-N 435.406 4.864 30 10 IJEE C#CC1(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC(C)(C)C1 2244946276 ABQYHHHTVDBPBK-DEOSSOPVSA-N 444.575 4.858 30 10 IJEE CC1(C)OB([C@H]2C[C@@H](C(=O)N[C@@H]3CN(Cc4ccccc4)C4(CCCC4)C3)C2)OC1(C)C 2267112337 FHBYKYFHHPAABT-BDTNDASRSA-N 438.421 4.562 30 10 IJEE CN[C@H](C#CC1CCCCC1)c1ccc(I)c(Br)c1 2274072175 MUSGRDYIUKVPFO-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CN(CC[C@@H](Nc1cc(Br)cnc1C#N)C(C)(C)C)C(=O)OC(C)(C)C 2278534271 SGMJWXHXDSHNDU-MRXNPFEDSA-N 425.371 4.799 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@H]21 2279684650 NLEGIUHFLDRHIA-FRFSOERESA-N 436.350 4.663 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(Br)cnc2C#N)C(F)(F)CC1 2284578436 BWNSUTXFELVKJS-OAHLLOKOSA-N 445.308 4.553 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](O)(C#Cc3cccc(Br)c3)C[C@H]21 2296227271 NIKSSXOURDFODF-SFGWALBWSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC[C@H](N)C#Cc2ccc(Br)cc2)CC1 2296304520 IGNPZHAMCXDBJJ-SKINQDTJSA-N 435.406 4.992 30 10 IJEE Cc1nnc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)s1 2296927079 PLXPWIJZJDTBTF-MRXNPFEDSA-N 446.315 4.780 30 10 IJEE Cc1cccc(NC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c1C 2297378421 OBCCMZALTYMSPG-UHFFFAOYSA-N 442.537 4.990 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2305317325 ULZWMXXCDPEDHW-BPYKYCOYSA-N 428.573 4.698 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317336094 PZHOXBYNWYHARR-ACCUITESSA-N 430.354 4.576 30 10 IJEE O=C1C(=Cc2ccco2)Oc2c1ccc1c2CN(C2CCN(Cc3ccccc3)CC2)CO1 2321915121 VATRWKARDHGLCP-UHFFFAOYSA-N 442.515 4.712 30 10 IJEE Fc1ccc(COc2cccc(C=Nn3c(S)nnc3Cc3ccc(F)cc3)c2)cc1 2321978825 FUAHKEAPDKVVAW-UHFFFAOYSA-N 436.487 4.897 30 10 IJEE CCN(CC)C(=O)COc1ccc(Cl)cc1C=CC(=O)c1ccc(OC)c(OC)c1 2322350331 GNMVNEXSUGDXFO-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(OC)cc2)cccc1OC 2322457322 WWNWBHHBXFIFBD-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccccc1F)C2=O 2323120388 SOLXWHJXHCKFJK-UHFFFAOYSA-N 434.419 4.743 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)c(C)c2)ccc1OCC(=O)NCc1ccco1 2324455387 CZBYMPCFBVHZHE-UHFFFAOYSA-N 433.504 4.886 30 10 IJEE COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC(=O)[C@H]1CCCO1 2325763673 CXYIMKGWFNZQMI-HXUWFJFHSA-N 430.884 4.646 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC(C)=O)cc1 2326272697 BKTBGLWFSPGQIE-UHFFFAOYSA-N 426.517 4.860 30 10 IJEE CCOc1ccc(C=Nn2c(COc3cccc(C)c3C)nnc2SCC)cc1OC 2328841519 QXQQXISDCSIJIZ-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccc(Cl)c(Cl)c1 2330540036 BYWTYBSQELGWCN-QFIPXVFZSA-N 443.374 4.935 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)C(F)(F)F)c(OC)c2)cc1 2331299373 ZPBDQSXFGDUIAC-UHFFFAOYSA-N 438.398 4.856 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccc(F)cc1F)Nc1ccc(F)cc1 2331493319 WYJJUSSKPXACBA-UHFFFAOYSA-N 445.470 4.576 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331530181 HDAMNLMJXQDHHO-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1cccc(OC)c1 2331592630 KCOYTUZHPKVXEP-UHFFFAOYSA-N 437.352 4.914 30 10 IJEE N#Cc1cc(F)c(OCc2cccc(I)c2)cc1Br 2341629733 RNJWRYIIZWLEMX-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE N#Cc1ccccc1COCc1ccc(I)c(Br)c1 2350076745 KDNVYWDGCXYJKX-UHFFFAOYSA-N 428.067 4.642 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@]1(C)NC(=O)OC(C)(C)C 2358671499 JEWQHQUMFAAIIQ-JLMWRMLUSA-N 435.406 4.862 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(C)cc(Br)c1OC 2365216614 WDXOUKVLSNPUMM-MSOLQXFVSA-N 439.394 4.723 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(OC)ncc(Br)c1C 2370565021 IBYBMNONXFKVQM-RDJZCZTQSA-N 442.398 4.671 30 10 IJEE Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 17095126 HTWKSBDSVHKZEH-YEJXKQKISA-N 426.854 4.934 30 10 IJEE Cc1c(/N=N/c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)n(Cc2ccco2)c(=O)c1C#N 39871249 DPGKUNQGRCQHJV-OCOZRVBESA-N 447.329 4.718 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(OC)cc3)CO4)C2=O)cc1 41656720 OFQYMMUELUGZER-CFRMEGHHSA-N 429.472 4.672 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2cccc(F)c2C)n[nH]1)c1ccc2ccccc2c1 59022113 HBXMDUQYQLAEMJ-DICXZTSXSA-N 448.527 4.972 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccc3c(c2)OCCO3)C1=O 103207609 HKARGIIKVMRQLQ-PDGQHHTCSA-N 443.908 4.655 30 10 IJEE CN1CCN([C@@H]2/C(=N/C3CCCCC3)N(c3ccccc3Cl)C(=S)C2(C)C)CC1 105421795 PHFWHRMVACZCDR-DFBXPRTLSA-N 433.065 4.861 30 10 IJEE COc1ccc(-c2csc(-n3nc(C)c([C@@H](c4ccccc4)C(C#N)C#N)c3O)n2)cc1 105573003 LSTIMFXJXKBSFJ-QFIPXVFZSA-N 441.516 4.814 30 10 IJEE Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 110360523 TWZUAHRALUWIPO-WZONZLPQSA-N 425.960 4.566 30 10 IJEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922200 JGTYIWKZLWFHPT-XMMPIXPASA-N 431.463 4.936 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 169937593 UBPZDNNQGSIWHQ-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1 170015430 RGFAIQBUQGYBER-OAQYLSRUSA-N 433.895 4.584 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccn1 170172980 OOVGOMNVSRQBBM-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccccn2)c1 170175081 MWDOOTHDAWVFMN-XMMPIXPASA-N 440.499 4.757 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccncc1 170209204 RQTZSXLHRSUGGC-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OCCC)cc1 170215363 PBGLTAOBYLKOEH-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(O)c(Cl)c1 170219562 RVHASFHSGSFRAU-FQEVSTJZSA-N 429.900 4.741 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)cc1 170227058 KRYCCDWFIGLZAT-QHCPKHFHSA-N 427.456 4.549 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 170241167 PUEQILSFLFCFPZ-QFIPXVFZSA-N 435.451 4.984 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(C)o1 170310249 ZMIAPFOXLJXADB-QHCPKHFHSA-N 432.520 4.661 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)c1 170332115 XJASVFXKVOTSJR-JOCHJYFZSA-N 433.460 4.858 30 10 IJEE N#Cc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 201592321 XBUISQBWTLJETN-UHFFFAOYSA-N 432.332 4.651 30 10 IJEE CC(Cl)=NOC(NC(=O)Nc1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F 254506280 SPSYPLNVLRCOSI-UHFFFAOYSA-N 434.749 4.828 30 10 IJEE CCN(CC)c1ccc(C=NNc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1 254701841 INTLNWNESWUDNT-UHFFFAOYSA-N 449.515 4.738 30 10 IJEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)CO[C@H]3CCCc4ccccc43)c2)c1 430401482 KPLXIUHSDJJOGW-DEOSSOPVSA-N 425.488 4.843 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460948636 JQCBRCTVAMGPKS-HXUWFJFHSA-N 444.457 4.824 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 472961407 VFTFOGFRMOMRGK-XWIAVFTESA-N 449.860 4.733 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 482592672 LBRRAZZRSXOTGY-UHFFFAOYSA-N 434.496 4.504 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 505024697 VKAOFZLGKSQBCB-UHFFFAOYSA-N 426.318 4.675 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 508961734 OHESWBMUQZWEIA-DPPGTGKWSA-N 442.563 4.735 30 10 IJEE N#Cc1cccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2coc3ccc(F)cc3c2=O)c1 526514542 DWBGTFGCDPBCSG-NRFANRHFSA-N 444.443 4.922 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CC[C@H](c4ccccc4)C3)n2Cc2ccccc2)cc1 549133946 GYJIWYDDWMSBCX-DEOSSOPVSA-N 435.531 4.771 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 549251215 PVAODDMHQWCFLT-MJGOQNOKSA-N 445.995 4.533 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 549638693 MXPLJMQEDHTTAQ-KRWDZBQOSA-N 429.996 4.553 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC(C2CCOCC2)CC1 554627129 RYLBAGPVGSJSPP-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)CC[C@H](O)C(C)(C)O)C[C@@H](O)C[C@@H]1O 575629590 WFZKUWGUJVKMHC-FDASIDADSA-N 432.645 4.676 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 578402624 CNPRWCJPEWQSOZ-OAQYLSRUSA-N 427.508 4.537 30 10 IJEE C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 584022599 XMXFEAQTKMJXQE-JOCHJYFZSA-N 434.540 4.540 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)C1CCCCC1 586505955 BKGQKZALJVRGBT-UHFFFAOYSA-N 434.385 4.706 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c2c(c1)OCCO2 698464247 MZQJZEMCZKFUEG-WFASDCNBSA-N 425.323 4.821 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cccc(Cl)c3Cl)c2)s1 740506997 GOCPGDBSTGTOJA-UHFFFAOYSA-N 430.316 4.848 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 742160224 VROIEPSSTBGXDG-KKSFZXQISA-N 442.535 4.965 30 10 IJEE N#Cc1cccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)c1 769961975 ZPJOFKBJDTXCRR-JOCHJYFZSA-N 437.446 4.927 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC(c3nccc(C)n3)CC2)cc1 775585946 KCGSLUDAJALXGU-UHFFFAOYSA-N 443.507 4.869 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c1=S 799952792 GDVHTGIMIBDBGA-QFIPXVFZSA-N 427.524 4.638 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 802558867 WPZBCULNSLFQOZ-UHFFFAOYSA-N 446.395 4.888 30 10 IJEE C=C[C@@](C)(CC)C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1124159415 LPSZVQHEISYZGA-VUVZNRFTSA-N 427.353 4.748 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 1125843275 UYZPJHNALUUYGI-DGWZTRNLSA-N 430.592 4.821 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 1135612599 CRMUYRKYOBFDFG-SANMLTNESA-N 425.532 4.704 30 10 IJEE C[C@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N(C(=O)OC(C)(C)C)C1CC1 1147389924 BPCGABDCQJLOKX-OAHLLOKOSA-N 425.554 4.691 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1cc(Br)c(C#N)cc1F 1162732660 SIVHQKWZXQPITJ-UHFFFAOYSA-N 445.317 4.968 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1177114094 LDUGINKINRXUHZ-UHFFFAOYSA-N 436.961 4.569 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)cc21 1179495287 ZCXHTNZFUZBJEC-UHFFFAOYSA-N 445.567 4.816 30 10 IJEE C#C[C@H](N[C@H]1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(Br)cc1 1182031127 GBWMSXYQZMYLNL-SFTDATJTSA-N 427.342 4.514 30 10 IJEE C=CCN(Cc1cccs1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 1185030106 MPFPVXBBHINWAM-KRWDZBQOSA-N 442.002 4.726 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc(C(=O)OCC)c1)c1ccc(C(F)(F)F)cc1 1188458943 BKVMIYGLMBMVNV-LJQANCHMSA-N 441.471 4.868 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1 1190963726 GENAWJNIBZMEBE-UHFFFAOYSA-N 427.378 4.810 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cccc(NS(=O)(=O)Cc2ccccc2)c1 1202656130 RVAFQMVRCQHFHS-UHFFFAOYSA-N 440.952 4.906 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)cc2)nc1 1214964999 BRZRYYXJDNVTSQ-QGZVFWFLSA-N 449.461 4.672 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)c1 1215106366 HVEPEMFKOGIPJD-UHFFFAOYSA-N 443.450 4.912 30 10 IJEE C=CCc1cc(CNC(=O)NC(C)(C)c2cc(Cl)ccc2OC)cc(OC)c1OC 1221553882 VUYKPTRWNPMKAW-UHFFFAOYSA-N 432.948 4.829 30 10 IJEE C=CC(C)(C)CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 1272462822 MXQSJNUBWUEUOV-UHFFFAOYSA-N 436.581 4.672 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCSC1 1286273668 GEFHZTMWJBWJRL-AEFFLSMTSA-N 437.638 4.978 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCCN1CCCC 1286276600 XYIRSPFDEKCNGG-ICSRJNTNSA-N 445.558 4.659 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1ccsc1)N(CC)CC 1286279823 QFFBTNYCIAJRMY-AVRDEDQJSA-N 437.613 4.556 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(F)(F)F)CC1 1286337335 DVOUJWZAUSBDIX-UHFFFAOYSA-N 427.474 4.994 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCCCN1CCCCC1 1286524438 LHNJDKKSXGGXBE-AREMUKBSSA-N 437.607 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(c2ccccn2)CCC1 1286569032 ADHLIWLEXSLKTR-UHFFFAOYSA-N 447.583 4.882 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286578478 DVZSFXGBQGEJLG-LJQANCHMSA-N 445.633 4.732 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@@H](CC)N1CCc2ccccc2C1 1286579462 PCJYENHPGNIGCJ-DNQXCXABSA-N 437.632 4.759 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1286670388 HPXPYKDVEQKTDK-UHFFFAOYSA-N 432.528 4.722 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1286701412 ZMWAHLGPTOJNIY-HXUWFJFHSA-N 425.621 4.725 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1)C(C)C 1286751017 LAILNIAWVKCZJC-XMMPIXPASA-N 447.631 4.545 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@H]1CCO[C@@H](C)C1 1286960028 BWUXGGONXPYDKO-RDGPPVDQSA-N 441.645 4.932 30 10 IJEE CCCC(O)(CCC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1294012044 CXSTZIISXQKVCH-YOSAUDMPSA-N 445.652 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1300287237 WKSWZLQINWUWJQ-ZCNNSNEGSA-N 428.024 4.815 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)[C@@H]1C 1300348987 PZEOSIHJOCJZSP-UONOGXRCSA-N 439.448 4.903 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1300843641 HJYLFSFNACEUMN-UHFFFAOYSA-N 446.393 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCC(F)(F)C1 1300900879 JHVDCGPXUDFUIL-SIKLNZKXSA-N 440.579 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cc(Cl)c2c(c1)OCCO2 1300905767 VKLZSTSTSGFIJN-UHFFFAOYSA-N 428.920 4.722 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)c2ncc(C)s2)CC1 1301096735 CKFIFDUDNGUESC-BHIYHBOVSA-N 429.634 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301154807 AEMJGYAFPMFTSO-UHFFFAOYSA-N 448.677 4.551 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1301316968 MFMFJDBKZOJPBL-ROUUACIJSA-N 443.039 4.905 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1301368206 YYVMIPDWJDLPTD-JTHBVZDNSA-N 436.648 4.911 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC(C)CC1 1301399095 FWZFJMFGQZTJCY-HSZRJFAPSA-N 444.627 4.696 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cccs2)C1 1301537680 CTYJQUNMOXMWDK-WOJBJXKFSA-N 438.597 4.926 30 10 IJEE C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)Oc1ccc(F)cc1 1303734335 GOXZBLMUMOARAY-SFHVURJKSA-N 425.552 4.747 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1306268759 GWNVXJCNALKWBT-OXJNMPFZSA-N 436.947 4.569 30 10 IJEE C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H](c2ccccc2)C1 1309578982 GUONOUUKLJEKQY-QGTPRVQTSA-N 433.371 4.571 30 10 IJEE C=CCC1(NS(=O)(=O)c2c(Br)cc(C)cc2Br)CCCC1 1309685864 NGELDVWDRAQOLL-UHFFFAOYSA-N 437.197 4.687 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(F)c(Br)cc2C)cc(OC)c1OC 1310598744 YXLSVUFXJDLPIN-UHFFFAOYSA-N 437.309 4.964 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1 1311298332 KGGVHCLMSDBTEH-INIZCTEOSA-N 433.508 4.566 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1csc(Br)c1)c1ccc(Br)cc1 1312935932 CSJCBNKTHWQKSO-CQSZACIVSA-N 442.176 4.789 30 10 IJEE C=CCCSCCNC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1312978338 XBVOOTAKUUMKTH-MOPGFXCFSA-N 425.639 4.507 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(S(=O)(=O)C(F)F)c1 1351321722 GBFTXZWZGMKCSU-UHFFFAOYSA-N 442.443 4.908 30 10 IJEE N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1C(F)(F)F 1354475578 AMJCWEUQDXKCRO-LJQANCHMSA-N 441.375 4.970 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1355268681 CXAGPHJHUGRFEX-FUDKSRODSA-N 442.650 4.667 30 10 IJEE Cc1ccc(N2C[C@H](C(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2=O)cc1C 1356135055 HUMRTTOSWHVMRI-HXUWFJFHSA-N 426.520 4.574 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCSC(C)(C)C1 1358917558 UUUZZGCWFIOTAN-UHFFFAOYSA-N 430.643 4.714 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1scnc1C 1358920857 JGXKVCFKIVYVID-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1359051588 CKNJRSFMRHOYHR-FXAWDEMLSA-N 433.021 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCC1(F)F 1359072827 RZZPLMAAJAPEQZ-GBXCKJPGSA-N 442.554 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCOC1 1359110013 XMPIEGUESFONMC-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc(F)cc(F)c1 1359125926 YYWIPNPDAQSRAR-IBGZPJMESA-N 447.530 4.841 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[C@@H]2CCCCO2)CC1 1359161336 ZMNZZKCUVXTOFL-SFHVURJKSA-N 448.409 4.552 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359162262 KRJPRXNAVLDLCM-NRFANRHFSA-N 444.023 4.884 30 10 IJEE C=CCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1359217426 ZEIOUXTYKUCLCF-LJQANCHMSA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(N(C)C)CCCCC1 1359234141 FPCQOMXXGVBAPX-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccc([C@H](C)O)cc1 1359263684 JACNQDKMLAZSDX-PGRDOPGGSA-N 438.597 4.875 30 10 IJEE C=CCSCCn1c(N(C)C[C@@H]2CCCCO2)nnc1C1(c2ccccc2)CCC1 1359346694 SCYZBTVHOJSEJL-NRFANRHFSA-N 426.630 4.673 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@H]1CCOc2ccc(Br)cc21 1360556810 DRTLXQALUAHXIO-QKLQHJQFSA-N 446.291 4.816 30 10 IJEE C#CCN(C(=O)Cc1cccc(OCCC)c1)[C@@H]1CCOc2ccc(Br)cc21 1435174499 DRKRYDXPJTXYLJ-OAQYLSRUSA-N 442.353 4.766 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 1435974910 IBDQQLYSBVREFR-UHFFFAOYSA-N 437.496 4.847 30 10 IJEE Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1439274492 AEYPVDOQXRUNRY-UHFFFAOYSA-N 448.832 4.958 30 10 IJEE C=CCC(CC=C)C(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1439591559 MPPXUVGOBFLUNL-SFTDATJTSA-N 440.584 4.911 30 10 IJEE O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cnn(-c2ccc(F)cc2)n1 1457182366 CIADUHALUUAOPI-OAHLLOKOSA-N 433.283 4.886 30 10 IJEE C=C(C)CN(CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)Cc1cnn(C(C)C)c1 1460091280 UTEZYRBWQULLIF-RUZDIDTESA-N 438.616 4.995 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 1464290551 PWYZBQOTVWDFLT-GOSISDBHSA-N 447.988 4.941 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC(Cc2nc(C3CCCCC3)no2)CC1 1465782838 KKUAZKYIPZTUDO-UHFFFAOYSA-N 440.519 4.755 30 10 IJEE C[C@H](O)[C@](C)(CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 1467801955 BUJCXVVBJAIZEZ-QYBDOPJKSA-N 432.495 4.849 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1467934762 FJOUYSZPXSZGKT-HXUWFJFHSA-N 430.907 4.651 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1 1470664220 ZXXGKLYQYVYWHJ-VXKWHMMOSA-N 431.914 4.771 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 1472150429 IAVPQZHVTCSXRM-NBGIEHNGSA-N 426.557 4.703 30 10 IJEE N#Cc1ccccc1COc1cccc(CNC[C@@H]2CSCCN2Cc2ccccc2)c1 1474110567 FBDBVRQAXQBQJB-AREMUKBSSA-N 443.616 4.844 30 10 IJEE CO[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)CC(C)C 1476551706 DTBMPSGFRUMCQN-OAHLLOKOSA-N 440.491 4.807 30 10 IJEE C#CCC1(O)CCN(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1 1477315841 SYOLTAJHRYMLQD-FQEVSTJZSA-N 435.955 4.513 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccc1)C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1477812923 UMVKNPCWSLDTCC-QFIPXVFZSA-N 425.573 4.572 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1)c1ccc(F)c(F)c1 1478471935 ICUSZNNUWMFILD-VWNXMTODSA-N 426.463 4.792 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)S[C@@H](C)C1 1507581243 SNRUDTACYPEXIB-KBPBESRZSA-N 437.382 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCCN1CCC(C)CC1 1507769892 NLHISWDGNNEWJI-HHHXNRCGSA-N 449.643 4.670 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCCCC1 1507799199 VNRNUNNQLZPWGE-UYAOXDASSA-N 432.515 4.908 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1ccoc1 1507807274 PIYWFMMCLXGSQM-PGRDOPGGSA-N 442.947 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1507911292 KFKSBIIBGRIZSV-HOOSLVGPSA-N 445.007 4.974 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1csc(C)c1 1507985821 OHHNWKNIOSIISK-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H](OC)C(F)(F)F 1508012185 SCPXPXUQSCKEJM-INIZCTEOSA-N 432.849 4.883 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)CCCN1C(=O)OC(C)(C)C 1526411357 BWQVCCJUUSANLC-JOCHJYFZSA-N 447.507 4.820 30 10 IJEE C=CC[C@]1(C(=O)Oc2cc(Br)ccc2F)CCCN1C(=O)OC(C)(C)C 1527414778 FCQIUPJWFBIOKI-LJQANCHMSA-N 428.298 4.839 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(-c2ccc(OC)cc2)s1)c1ccc(Br)cc1 1528082389 XJPAOWMCRFVYGN-QGZVFWFLSA-N 427.323 4.686 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(C)c(Oc2ccncc2)c1 1531613132 WVCSDZWHTJSPBX-UHFFFAOYSA-N 433.460 4.925 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)c(C(=O)OCC)c1C 1532545330 NGVXNOIOUMZTEA-HNNXBMFYSA-N 429.538 4.702 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC2(c3c(F)cccc3F)CCC2)nnc1-c1ccco1 1534277769 BTMGIVVVQYVBNG-UHFFFAOYSA-N 444.507 4.680 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1F 1535504489 GSYCDQOBWGYMAB-ICSRJNTNSA-N 448.897 4.717 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccccc1 1537452733 IPXUXAZLWCMJBA-PRAQEBQASA-N 428.554 4.535 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cc1 1538192543 AOBDIBUPVJFBOZ-INIZCTEOSA-N 431.496 4.582 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1538972554 KLSDOHFHOPISGE-MOPGFXCFSA-N 444.023 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1C1CC1 1538973573 OUZFQIAIKRZBJR-IEIRFRATSA-N 435.616 4.510 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](OCCC)CC1 1539097511 PIEVLEQTLJFSEI-LJQANCHMSA-N 432.515 4.745 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)c1nccs1 1539351090 LSLCDRJJGSEXIA-HNNXBMFYSA-N 444.402 4.736 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1sccc1C 1539351728 FQXVMTYOHXEBIM-UHFFFAOYSA-N 432.549 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@H](c3cccc(Cl)c3)C2)nnc1C(C)(C)C 1539642504 QRFCKHAVNXJBCA-JBACZVJFSA-N 445.007 4.788 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC1CCOCC1 1539688613 KXMXQEGVWFXJIG-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1539841704 JXYCNKPHOYFPMY-UHFFFAOYSA-N 443.567 4.888 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccsc2)CC1 1539858824 CJUCMGGCCGDYJI-SFHVURJKSA-N 429.590 4.616 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1539882798 YBBJKFPILCAOAO-ROUUACIJSA-N 440.588 4.568 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1539895903 DFDOIGBVXPIRGV-WOJBJXKFSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@](C)(CC)C1 1539900938 YGKVSZFGUCDRBT-RUZDIDTESA-N 439.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1539910690 ZIRQAPQUNKODQF-GOSISDBHSA-N 445.007 4.975 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)N(C)C1CCCCC1 1540058862 YNVXAJBBXTVDSL-UHFFFAOYSA-N 436.387 4.665 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@H]1C(C)C)C1CC1 1540098358 AGPDMDZNKBXZPS-XLIONFOSSA-N 445.405 4.924 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCN(CC)C1 1540158852 SEDRIBPJHOMTOC-SFHVURJKSA-N 444.421 4.536 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1CCc1nc(C(F)(F)F)cs1 1540161115 DJNXWTBDAWKLPS-UHFFFAOYSA-N 449.502 4.850 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCSC2)cc1 1542508966 DEXKXPJXQIRGJJ-IBGZPJMESA-N 427.643 4.762 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)CCCCc1ccc(I)cc1 1544269646 YXTQFJZWZWEFRM-UHFFFAOYSA-N 431.317 4.666 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccccc3Cl)CC2=O)cc1Cl 1544805360 ADIBPFZQNNNLJI-QRWLVFNGSA-N 428.319 4.582 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CCC#N)CCOC 1546636874 BZIMOGNMNABZLV-CTNGQTDRSA-N 432.572 4.686 30 10 IJEE N#CCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCS2)CC1 1555994395 HQGNJLFUUUIUIB-SFHVURJKSA-N 433.528 4.572 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 1558165363 QNHDOGHWWWONBR-UHFFFAOYSA-N 444.381 4.756 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 1570390415 QDZHPLLIXXFWFT-GOEBONIOSA-N 442.478 4.693 30 10 IJEE Cc1cc(C#N)cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 1583754884 HMKHLIHHUDRJPM-SFHVURJKSA-N 444.329 4.834 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C(F)(F)F)cc1 1587315156 GGJSYXJPVWQCMQ-NRFANRHFSA-N 435.405 4.921 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 1587591972 CBQHQLKUVWPGNL-GFCCVEGCSA-N 425.259 4.916 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCCCSC 1587679245 YQTNDDORGKKRCJ-MOPGFXCFSA-N 449.665 4.731 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(Cl)=C(Cl)C1 1587702540 YDVQWGRSKBOIQM-UHFFFAOYSA-N 446.382 4.850 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1587759552 WRGQAJQVIAGFPK-FQEVSTJZSA-N 429.609 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1nc(C)c(C)s1 1588099675 VNNVDXLOTLXDLR-MRXNPFEDSA-N 449.649 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CCSCC 1589514158 DJBYMJYZDTZAQO-NYVOZVTQSA-N 439.629 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1[C@H]2CCC[C@H]12 1594454735 HSVDKWASDQYZDQ-HOTGVXAUSA-N 432.410 4.883 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1(C)C 1594498477 VVWDXDPLWYXFLK-SFHVURJKSA-N 447.624 4.568 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N(CC)Cc1nc(O)c2sccc2n1)c1ccccc1 1594551956 CZJMGARDTMWIME-GOSISDBHSA-N 448.596 4.937 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cc(Br)cs1 1594992492 JTYKDGMTDAZTLR-UHFFFAOYSA-N 447.402 4.968 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)C1CC1 1595034228 YCGUYPBVMWCVBT-SFHVURJKSA-N 439.604 4.918 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)c1c(C)noc1C)C1CC1 1595037733 KDJDGAKRBNORSO-HNNXBMFYSA-N 437.544 4.526 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)C 1595166570 VCDFEZRLWIKWRT-GGAORHGYSA-N 436.648 4.911 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CCc1c(C)noc1C 1595239536 MKAAMWZJSYCDTB-QHCPKHFHSA-N 435.572 4.602 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CC(F)(F)C2)c1C 1611824659 DMBPLMIOYGMAFC-KKSFZXQISA-N 433.478 4.522 30 10 IJEE Cc1c(C#N)c(NC(=O)CSC2CN(C(=O)OC(C)(C)C)C2)n(C2CCCCC2)c1C 1614772722 HLQGUABJCSIIEK-UHFFFAOYSA-N 446.617 4.773 30 10 IJEE C=CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Br)ccc1F 1615387230 ACJKOAGLGOPMNB-UHFFFAOYSA-N 436.281 4.513 30 10 IJEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1618313153 HMPXXCIYHYSHTR-HJOGWXRNSA-N 433.552 4.626 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 1618828276 AKZHYXRRCWKIQL-SFHVURJKSA-N 445.357 4.739 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCC[C@H]1C 1619909575 CAYNPDWESJMPRL-QUCCMNQESA-N 432.572 4.604 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 1622995117 CKRBUICAMQTRFI-UHFFFAOYSA-N 429.402 4.509 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(Cl)cc2OC(C)C)CCCN1C(=O)OC(C)(C)C 1625300835 LXXQAAHRNNOYAV-HSZRJFAPSA-N 434.964 4.536 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 1625416279 NGPHSFXMCMZGOC-UHFFFAOYSA-N 438.524 4.763 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1 1626528512 DLDLBVPPNHDABY-UHFFFAOYSA-N 436.533 4.748 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2sc(C(=O)OC)cc2c1)c1ccc(Br)cc1 1627985916 YXBDVAIBGCRHME-MRXNPFEDSA-N 443.322 4.946 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1628245122 FURFSGFKMLWKTQ-NRFANRHFSA-N 436.961 4.617 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)c1ccc(Cl)cc1F 1629953090 SWUMKPXOLPJCAW-DHIUTWEWSA-N 427.951 4.926 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 1631877553 ICRHHJHRSSNDBE-VXKWHMMOSA-N 442.604 4.768 30 10 IJEE C=CC(C)(C)CNC(=O)c1ccc(Br)cc1NC(=O)c1ccc(OC)cc1 1635384297 STELYFVKRJRKHT-UHFFFAOYSA-N 431.330 4.652 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CC)Oc1cccc(Cl)c1 1635404200 UOCDEXSEKWVKJR-NVXWUHKLSA-N 431.360 4.650 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC 1638664168 DIZHPYPNOYDDGW-NHCUHLMSSA-N 426.513 4.787 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 1639805734 QYBRWYDEMCCSJS-DHIUTWEWSA-N 443.632 4.748 30 10 IJEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 1640005760 CBEZLGZOGFNNOJ-HSZRJFAPSA-N 425.532 4.740 30 10 IJEE C=CCn1c(SCc2ccc([Si](C)(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 1643491848 TVOIZWUNJZFZAP-NRFANRHFSA-N 437.641 4.814 30 10 IJEE C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@@H](c2cccc(C#N)c2)C1 1653156913 CJLBMCNFHWPFEW-BFUOFWGJSA-N 437.849 4.631 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2c3ccccc3CC[C@H]2Cc2ccccc2)c1 1653516722 BRORAPLLWGDZLH-DEOSSOPVSA-N 443.568 4.688 30 10 IJEE C=CCn1c(SCc2nc(Cc3ccc(F)cc3)no2)nc2sc(C)c(C)c2c1=O 1656058104 LOTDSAFNQATCRH-UHFFFAOYSA-N 442.541 4.666 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)NCc3c(Cl)cccc3-n3ccnc3)cc2)ccn1 1662408524 GKYIYZAAWGYWSY-UHFFFAOYSA-N 444.882 4.906 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](CC(=O)OC)c3ccc(C(C)(C)C)cc3)cc21 1664929707 SQVNKLLNGDXWDU-NRFANRHFSA-N 434.540 4.946 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)C1 1668018099 CCJNWYPGXYMNNH-INIZCTEOSA-N 427.907 4.676 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC)c(Br)c(OC)c1)c1ccc(Cl)cc1F 1669663900 YJVMUSMQVNHAPV-AWEZNQCLSA-N 441.684 4.755 30 10 IJEE CC(C)(C)c1csc(NC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1C#N 1672201613 CLWOMKOOXYNVMT-HSZRJFAPSA-N 440.569 4.840 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1)c1ccc(Cl)cc1 1673006928 DCDHYUYIZOUITB-HXUWFJFHSA-N 435.867 4.810 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)c1ccc(F)c(F)c1 1675237657 BKBHGGQUAZBCBR-PKTZIBPZSA-N 429.511 4.727 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N[C@H](C)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 1682317599 ULQRKEFZMPYZGZ-QAPCUYQASA-N 435.515 4.892 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1)c1ccc(Cl)cc1F 1683688903 JMCCQMBEQNCAEA-PKTZIBPZSA-N 427.951 4.705 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1686525377 JDXOGXVOKPGQIS-SANMLTNESA-N 443.978 4.938 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 1686788570 PYYRXFZTSQYFRI-AREMUKBSSA-N 443.978 4.938 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nccs1 1689830612 BEXDCAPYZOVQOG-ZDUSSCGKSA-N 427.986 4.970 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1689897964 NMNYIOOXBVOFNS-KNQAVFIVSA-N 447.410 4.701 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC1CCOCC1 1690237812 AYRXPIDNHSEBPP-IFMALSPDSA-N 445.007 4.833 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CC)CC1CC1 1690241418 SABGIXBVXBLCPQ-DYESRHJHSA-N 430.980 4.825 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690276099 JDFLHLSXZIOHQH-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1690422697 XCDODUMJAUHEIK-QFIPXVFZSA-N 426.605 4.740 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1cccs1)N(C)C 1690517002 WPSUNXRIAAILNK-OAQYLSRUSA-N 432.597 4.788 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC[C@@H]1C)C1CC1 1690538868 QRPOYBHDCHJKMO-DLBZAZTESA-N 426.561 4.562 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C)COC1 1690574134 PKAIAJOSCJHJLR-KRWDZBQOSA-N 442.560 4.848 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1Cc1cc(C)nc(N2CCCC2)c1 1690590252 RXZCFRBAYVLWSK-UHFFFAOYSA-N 428.584 4.784 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CC[C@@](C)(CC)O2)C1 1690690179 SPZYIQQDTCMGRT-PMAPCBKXSA-N 448.970 4.867 30 10 IJEE CCCC1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1695131274 ARCCRPMWPQEBHB-ROUUACIJSA-N 430.597 4.669 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1cc(Br)cs1 1705484467 PFDNYFCRLCRFFK-AWEZNQCLSA-N 429.387 4.838 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)c1nc(C)cs1 1705545793 NUMNNUNHXDEBES-AWEZNQCLSA-N 444.402 4.654 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(C)CCCS1 1705585343 CNNDHHOIJIZLLS-NRFANRHFSA-N 449.407 4.522 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705617887 LAMWMHNLYFQFSB-FGZHOGPDSA-N 439.673 4.706 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2)CC1 1705730846 OJSOSDSNIQXQRQ-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1705734786 BQRNSNCPTIUZRW-QFIPXVFZSA-N 437.632 4.629 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)C2(CCC2)C1 1705739187 XRSVGUDATGTPCR-SFHVURJKSA-N 430.543 4.756 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705744635 KHUCBOROABNZGQ-SFHVURJKSA-N 449.933 4.771 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705945595 NVUYXOBYTNEOCF-PKOBYXMFSA-N 449.665 4.594 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1nccs1 1706079286 HUENDKOVSBIWLR-CQSZACIVSA-N 433.006 4.519 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1cccs1 1722285393 SWSCDTUTZYBDMR-OAHLLOKOSA-N 429.387 4.778 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OC(C)C)CC1 1722308362 LOXYNDBTFXJNOK-LJQANCHMSA-N 428.552 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1722586345 CUJHXBMCVQSBRZ-OKXSDPAFSA-N 437.613 4.877 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(N(C)C)nc1 1722637651 VVUDFJYTGFCEJV-UHFFFAOYSA-N 448.571 4.944 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCSC1)C1CC1 1722648617 VKGLXUWGIQAPCK-QGZVFWFLSA-N 428.602 4.650 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)C1 1726462102 HHTHNYAGAPAPEV-YUMYIRISSA-N 434.632 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOCC1CC1 1740539856 WESJCZCZBFDXHY-LJQANCHMSA-N 431.584 4.627 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1ccc(Cl)s1 1740587071 XKHWSTORACNPHM-UHFFFAOYSA-N 430.961 4.727 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)C1CCCCC1 1740603368 QFXRICCASUHDAD-BXKMTCNYSA-N 426.630 4.532 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1740758254 VNZWMQZNBPRFIV-FXAWDEMLSA-N 445.489 4.910 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1740815566 DAHMLHKVGPYGCH-UHFFFAOYSA-N 437.009 4.725 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2F)CC1 1740835564 HCTRUTPPRXRIDT-UHFFFAOYSA-N 444.352 4.636 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2ccsc2)CC1 1740842904 PWYDFYIJCWGNFX-REHUZNOOSA-N 444.645 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCCOC1 1740844309 XWNBJXPMRLQDJM-FQEVSTJZSA-N 439.604 4.612 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1740873558 CFBPGFNBURZSKI-YADHBBJMSA-N 428.552 4.575 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCc1ccccc1Cl 1740920968 ZRTWMMNEJWRAIG-UHFFFAOYSA-N 444.004 4.567 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1740971202 JXZZIHVOCXICHF-LJQANCHMSA-N 428.487 4.610 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccoc2)C1 1740985289 PEUPGMLOUXDFOS-QGZVFWFLSA-N 449.338 4.587 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1748659434 HNQNIPCGUYODEG-SFYKDHMMSA-N 449.624 4.556 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(Cc1ccco1)C(C)C 1749026778 PWCAKIRUVWRPJL-UHFFFAOYSA-N 431.565 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(CC)(CC)OC)CC1 1749335071 NGIZGBZTUJXNND-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCOC(F)(F)F)CC1 1749347886 HVHKQSKFLIDUGW-UHFFFAOYSA-N 438.494 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)C)CC1 1749357037 HHXUQUBSYVYJJR-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1749360479 ZYYTZPALHGVCCL-LJQANCHMSA-N 441.595 4.819 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1749528406 OIMHPDCVLGLVNT-FQRUVTKNSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1C[C@H](SC)C(C)(C)C 1749547660 VOWSSHVRKZYWRW-FQEVSTJZSA-N 442.608 4.788 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCCC2(CCOCC2)C1 1749689393 FNVWWIZRVOJOLW-UHFFFAOYSA-N 438.616 4.877 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1N(C)CCCC1(C)C 1751090310 ASKZTUIMNONKCW-BEFAXECRSA-N 432.975 4.596 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(CC)CCOCC1 1760107203 RJPURQMQQAJIKK-HXUWFJFHSA-N 448.567 4.782 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCS1 1760289434 ORCYSQPKERDSTM-ZWDAVXSWSA-N 431.005 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C 1760324457 KLECVPVGUKFOMF-UWJYYQICSA-N 432.996 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCN1C1CC1 1760330040 QKKPMIQYWFVGFO-TZIWHRDSSA-N 441.595 4.977 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1760348204 YFCFLVQIOIGVBD-IERDGZPVSA-N 431.378 4.965 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](COC)C1 1760351996 OOASVJKJSWAELD-LJQANCHMSA-N 444.645 4.731 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1760405465 ZKEGFLHXJLBWEZ-UHFFFAOYSA-N 433.503 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760408573 OZLDWXXDADQMIE-VGOFRKELSA-N 440.588 4.568 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1Cc1cc(C(C)(C)C)no1 1760499061 MUEDVZUYQPWWKH-UHFFFAOYSA-N 430.556 4.842 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2cccnc2)C1 1760539589 RCUMDJZEEXAKLF-HSZRJFAPSA-N 431.584 4.662 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCCC1 1760698198 DJVJMKVORBWRGW-QGZVFWFLSA-N 447.052 4.694 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)C)CCS1 1762503514 BNUCTFILAXRRFK-HXUWFJFHSA-N 427.618 4.600 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cccs1 1762641699 HBAHOMTWZCHMBE-MRXNPFEDSA-N 446.580 4.966 30 10 IJEE COc1ccc(/C=C2/SC(=NN=Cc3ccccc3F)N(Cc3ccco3)C2=O)cc1 1772758729 CEPXXIMYXPOWPA-PFZYSIKNSA-N 435.480 4.934 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(Cl)cc(Cl)c1OCc1ccccc1 1772786347 GGFQZZIUQRHICF-UHFFFAOYSA-N 442.254 4.940 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@@H](CC(C)C)C(=O)O)n2)ccn1 1857835216 IRMDYJYSRCAZAD-QFIPXVFZSA-N 431.540 4.781 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(N[C@@H](C(=O)O)[C@@H](C)CC)n2)ccn1 1857836388 OPLYGHUCJKESIT-GAJHUEQPSA-N 431.540 4.781 30 10 IJEE CCCCCOC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2 1858698503 QLZDPVOQXYLXPX-UHFFFAOYSA-N 442.541 4.650 30 10 IJEE C=CCOC(=O)Nc1ncccc1O[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1 1858703448 ATATYPDGWHFJHP-LJQANCHMSA-N 431.492 4.817 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC(C)C 1860925920 PGGSZJHTBWUVJP-QFIPXVFZSA-N 436.662 4.818 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2cc[nH]c2c1 1862560049 CMWIPLQQMZHVSL-YCASGBEESA-N 429.520 4.907 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(OC)c2)c1 1862702504 DVYWCICVXGGORK-JOCHJYFZSA-N 449.528 4.586 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CC(C)C)cc1 1862708366 SWFNGICIAQXMNB-HSZRJFAPSA-N 436.552 4.776 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 1862735030 AENLNONVMGMDRM-JOCHJYFZSA-N 448.475 4.769 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc2cc[nH]c2c1 1862738813 JXRXBBODMJRYME-OAQYLSRUSA-N 433.464 4.701 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(Cl)cc3)C2=O)cc1 1862795153 ZFXNDINMRYAYHK-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3)=C(c3ccc(Br)cc3)C2=O)c1 1862823355 JXQRNDXLVKNITJ-UHFFFAOYSA-N 444.288 4.717 30 10 IJEE CCCOc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2cccc(C#N)c2)C1=O 1862927671 ZXNBHMSWFIOCBI-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1 1863447524 WRNJENOMYAMWET-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1ccccc1F 1864066272 JXJCYHBICNWWLM-NRFANRHFSA-N 442.579 4.912 30 10 IJEE Cc1ccc([C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 1866958447 WPDUVZAGTHDMGW-IZZNHLLZSA-N 439.559 4.973 30 10 IJEE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867132382 RKHJSHLMNIQIOR-QPPBQGQZSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3cccnc3)C2)nc(-c2ccc(C)cc2)n1 1869173724 XTKOAPOVGGXTIE-QHCPKHFHSA-N 427.552 4.603 30 10 IJEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1ccc(-n2cccc2)cc1 1870154469 ULPVETNJIXPRRC-UHFFFAOYSA-N 445.486 4.926 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC2CCCCC2)cn1CCCCN1CCCC1 1870485217 RQJHEHWMUVRYBG-UHFFFAOYSA-N 441.660 4.857 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CNc2ccc(Cl)cc2)cc1=O 1870838411 CFJYXNQWTPOZMO-UHFFFAOYSA-N 433.980 4.599 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CNc3ccc(F)c(F)c3)cc2=O)cc1 1871253695 FWTCGNPFQIHOMT-UHFFFAOYSA-N 447.441 4.831 30 10 IJEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccn2)C3=O)cc1OC 1871367654 WEJGGUCQPMXTFD-UCQKPKSFSA-N 445.471 4.562 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1O/C(=C\c1ccc(Br)cc1)C2=O 1871393585 XONBXDAQAOYTMH-MOSHPQCFSA-N 426.310 4.945 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871416075 KDDJQFCLKYKGCF-FMCGGJTJSA-N 444.439 4.706 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 1871434020 PXLWNIWNUVRGAP-UUMRFZBWSA-N 440.492 4.739 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(OCCN4CCCC4)cc(C)c3C1=O)cn2C 1871449307 KTEWFJJMMSPHGO-CFRMEGHHSA-N 432.520 4.586 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871719558 FRIVJCPKVIELHQ-OALUTQOASA-N 426.609 4.997 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872081177 ZERDNGUWEXQCPR-QFIPXVFZSA-N 432.561 4.618 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OCCCC)cc1)C(C)C)S(=O)(=O)CCCC 1872172861 IJXSQTRPWFZRIP-QFIPXVFZSA-N 438.634 4.837 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872254063 MLAQUIZDSCSEMA-OAQYLSRUSA-N 426.563 4.613 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccccc1 1872468366 CBMHPSHQENTMDI-HSZRJFAPSA-N 428.598 4.869 30 10 IJEE CCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C 1872605170 OEBVZNFBKLSTSR-GOSISDBHSA-N 437.433 4.773 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(F)c(F)c1)n2CC(C)C 1873656574 DUFKEOQBBNXLAU-UHFFFAOYSA-N 425.483 4.796 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(N3CCc4ccccc4C3)ncnc21 1873674204 LOJIXROEWPPMME-UHFFFAOYSA-N 448.530 4.914 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(C(C)C)cc1 1874435769 WQLMXEZWBNZUJZ-BUVRLJJBSA-N 429.634 4.833 30 10 IJEE COCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cn(C)c2ccccc12 1874474304 WWCFZRQQPGVHMH-ZMOGYAJESA-N 439.972 4.787 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccccc1OC(C)C 1874479589 HSZWIMDRZICDKB-YDZHTSKRSA-N 432.590 4.581 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2C2CCC2)c(O)c1 1874499617 VBBXLZHMMMABDS-AUEPDCJTSA-N 432.908 4.924 30 10 IJEE CCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc2ccccc12 1874511313 SQWGLLUUNDQMSK-WPWMEQJKSA-N 443.576 4.675 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3C)nnc2C2CC2)cc(OC)c1OC 1874517940 RXQKVQIUMIYMQG-ZMOGYAJESA-N 438.553 4.664 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(Cl)c1OCCO 1874633788 UQOOGEQIWNORFB-AATRIKPKSA-N 425.308 4.976 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(F)c3)c(OC)c2)c1 1875103167 YECSCACZJPQFCV-ZHACJKMWSA-N 436.435 4.967 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2)cc1 1875179147 VOIGEPAZUVAJTH-GIDUJCDVSA-N 448.471 4.593 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2cc(-c3cccc4ccccc34)on2)CC1 1890876149 UKHNTWMTGXBYRR-UHFFFAOYSA-N 437.503 4.502 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](C#N)CC12CC2 1901537260 NYZGIVNIMDLOHR-UUOWRZLLSA-N 443.547 4.598 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 1903072004 GJSOVRDQTOIPSN-WOJBJXKFSA-N 435.501 4.577 30 10 IJEE c1ccc(CN(Cc2ccccc2)C2(CN=C3N[C@H]4CCCC[C@H]4CS3)COC2)cc1 1912011706 ORRZZOWNVBPAQC-ZEQRLZLVSA-N 435.637 4.709 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@](C)(O)Cc1ccc(Br)cc1 1922059039 CWRPAWVZXYCHES-GOTSBHOMSA-N 432.402 4.884 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)C1 1964996390 LTYYJGCVRXNBSI-OUDXUNEISA-N 444.575 4.812 30 10 IJEE N#Cc1c(C(F)F)nn2c(O)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc12 2080822122 HHVHCJGPYMWUQY-UHFFFAOYSA-N 433.134 4.692 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)cc1OC 2165551618 PCQISMBHEKJAHK-QGZVFWFLSA-N 440.382 4.601 30 10 IJEE CC1(C)CCC[C@@](CNC(=O)OC(C)(C)C)(Oc2cc(Br)cnc2C#N)C1 2201447389 IMMCWDQELKNPCA-HXUWFJFHSA-N 438.366 4.958 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@H](N)C#Cc2ccccc2Br)cc1 2235730732 OYRARTSPEYKJMA-HXUWFJFHSA-N 429.358 4.568 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2235730889 PILYBQSIDJOSDZ-ICSRJNTNSA-N 433.390 4.592 30 10 IJEE CN(C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C#N 2243911533 SVMAPEMGDWQKCN-UHFFFAOYSA-N 439.515 4.838 30 10 IJEE N#C[C@@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 2243917630 VFHDBTZKPYCSJJ-RUZDIDTESA-N 445.563 4.894 30 10 IJEE CC1(C)OB(C2(C(=O)NCCc3cccc(OCc4ccccc4)c3)CCC2)OC1(C)C 2266998228 FZCWJSYUNHCVSB-UHFFFAOYSA-N 435.373 4.941 30 10 IJEE Cc1cc(Br)c(Cl)cc1Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2280783364 KBLWSYINZWNLQI-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE C=CCCC1([C@@H](NCC)c2c(Br)cnn2CC)CN(C(=O)OC(C)(C)C)C1 2281033132 QGQBSWMHUFRFHA-KRWDZBQOSA-N 441.414 4.519 30 10 IJEE C[C@H]1[C@@H](C(F)(F)F)N(c2c(Br)cccc2C#N)CCN1C(=O)OC(C)(C)C 2285225619 BWULOFTURSDBID-NHYWBVRUSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@H](N)C#CC1CCCCC1 2289688175 RYLALOIIJDPNIP-UXHICEINSA-N 435.406 4.796 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@H](N)C#Cc1cccc(Br)c1)C1CCCC1 2296271248 DUNRJQHDTNSUCM-AZUAARDMSA-N 435.406 4.849 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)C[C@@H]2NC(=O)OC(C)(C)C 2305315457 CBZRSNWEDHAZED-LXKSKSEUSA-N 428.573 4.746 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCC12CCN(C(=O)OC(C)(C)C)CC2 2306521783 MLWBLZFHZNDTGZ-RUZDIDTESA-N 428.573 4.699 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 2314478037 PHHJYFFQILXCAB-VWLOTQADSA-N 446.591 4.914 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1c[nH]c2ccccc12 2320934327 NYBSHVKVFRXRMG-UHFFFAOYSA-N 432.553 4.552 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(C1CCC3(CC1)OCCO3)CO2 2322214730 BWJZCRFHDMRFOV-UHFFFAOYSA-N 439.533 4.510 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OC 2323176754 GLLQUAFLULCLPJ-UHFFFAOYSA-N 439.552 4.936 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323201486 BPEALFCIHODLQO-UHFFFAOYSA-N 443.499 4.970 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc(O)c2CN1CCCc2ccccc21 2324023746 TUYXCPZZLOPCRU-UHFFFAOYSA-N 428.444 4.869 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccc(OC)cc1OC)C2=O 2325044756 LTNDAYHQNBDYCI-UHFFFAOYSA-N 440.492 4.741 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1cccc(C)c1 2325744948 RCMDYAMGJKPRTK-UHFFFAOYSA-N 430.456 4.890 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2326002862 UGDOYSBHPSZVDM-UHFFFAOYSA-N 444.944 4.636 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2327578357 YFPLPMLFZCCBAM-UHFFFAOYSA-N 430.917 4.593 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2327760032 KCWFINSIAQTAEA-DHIUTWEWSA-N 444.616 4.544 30 10 IJEE C=CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2327878659 PZOOMDMSGASIDW-SFHVURJKSA-N 439.629 4.850 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2N=Cc2cccc3ccccc23)c(C)c1 2328919099 HUWBOIRLQCRTGQ-UHFFFAOYSA-N 432.549 4.594 30 10 IJEE CCCCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SCCO)cc1 2329866037 HDRGGSJWUJMHLE-UHFFFAOYSA-N 442.560 4.544 30 10 IJEE CC(=NO)c1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 2329947153 YMLBJXWVRWPPGD-SFHVURJKSA-N 433.464 4.794 30 10 IJEE CCOc1cc(C=Nn2c(SCC)nnc2-c2ccccc2)cc(Br)c1O 2330663148 NPSXRXKFVSZKMH-UHFFFAOYSA-N 447.358 4.806 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(Cl)c(Cl)c1 2330718055 OLAGLWMWEJGNIM-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330850938 FBXNIMLZGCYKFV-UHFFFAOYSA-N 439.541 4.698 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccnc3)c(OC)c2)cc1 2331190310 RXJZPDPTSWWYPC-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(F)c2)c(C)c1 2331712779 JUFOIQBBJROVRM-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2334271600 QVDFYRIBGYWWLL-CDXCJDFSSA-N 439.405 4.701 30 10 IJEE CC[C@@H](N[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338511675 GORBVESLZRWAQZ-FXAWDEMLSA-N 446.441 4.718 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2cc(F)ccc2Br)OC1(C)C 2339442088 BMYXLTDTBLUNOQ-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE OCCC#Cc1ccc(CN(Cc2ccccc2)CC(F)(F)F)cc1Br 2349915737 JTIAFMUOKBPKER-UHFFFAOYSA-N 426.276 4.748 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@@H](C)c2cscc2Br)n1 2362087561 MVGJEKCHQIZZCX-ZDUSSCGKSA-N 437.212 4.711 30 10 IJEE CN(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2364752801 BKNCROXGKUVGPO-BJKOFHAPSA-N 446.400 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@H](N)C#Cc2cccc(Br)c2)C1(C)C 2370456860 PUSGSFACNKVLHZ-BHIYHBOVSA-N 435.406 4.848 30 10 IJEE N#Cc1cccc(COCc2ccc(I)c(Br)c2)c1F 2377640384 RZCLAPJQMCYFAQ-UHFFFAOYSA-N 446.057 4.781 30 10 IJEE C=CCn1c(SCC(=O)N(C)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 3587509 WVIQUEAURDMONA-UHFFFAOYSA-N 439.606 4.668 30 10 IJEE C=CCn1c2ccccc2c2nnc(SCC(=O)c3ccc(Br)cc3)nc21 3663646 LUYLUMCYPHJHCC-UHFFFAOYSA-N 439.338 4.903 30 10 IJEE COc1cc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cc1OC 9495980 IOJFLQJKIVVBPC-QHCPKHFHSA-N 433.508 4.720 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2ccccc2F)n[nH]1)c1ccc2ccccc2c1 21082157 PEYRYJZHEMHZIN-VULFUBBASA-N 434.500 4.664 30 10 IJEE CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)ccc1OCC#N 33349611 RTGLEGQWEWTROQ-DIRPYQRSSA-N 437.521 4.620 30 10 IJEE COc1ccc(COc2ccc3c(c2)O/C(=C/c2ccc(OC)c(OC)c2OC)C3=O)cc1 33514140 BZBHKAFQLDADEX-YDZHTSKRSA-N 448.471 4.916 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1cccc(OC)c1OC)C2=O 41285706 INQBAQJTCHTPLI-HMAPJEAMSA-N 446.455 4.856 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 65067834 WTUBZEMMWFWDBC-UHFFFAOYSA-N 429.442 4.667 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1OC 169941980 XRMLVTBQHQMOFI-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971770 LKFDJMQTAJYOBC-QFIPXVFZSA-N 449.409 4.785 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccc2)cc1 170054648 VTJNSTZXHJHGOG-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170058058 QKERAOPTEHIIKS-IERDGZPVSA-N 436.895 4.579 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 170063723 JBNWZFHEFMVZFT-DEOSSOPVSA-N 426.447 4.799 30 10 IJEE C[C@@H]1CCCN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)C1 170066214 DYUGZCRVINNSAB-CQSZACIVSA-N 440.330 4.881 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C2CCCCC2)cc1 170114894 IWRHSXMOGBGDIE-GYCJOSAFSA-N 447.531 4.930 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCCC2)c1 170119455 YEEYAALEXYVWBE-LJQANCHMSA-N 426.538 4.680 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)c1 170134288 IJBHHDMVDCFFIK-QFIPXVFZSA-N 433.460 4.551 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170169377 GUHUPTQEWVLQMR-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccncc1)c1c[nH]c2ccccc12 170206501 SVCYXCKIPRZVHG-NRFANRHFSA-N 431.398 4.624 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccccc1 170224111 CDQGEPJZENTGMK-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 170247619 JVCQDHVDLRSIRZ-QHCPKHFHSA-N 433.479 4.982 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1Cc1cccs1 170270004 NUKFDDSFPZFYSC-JOCHJYFZSA-N 431.513 4.770 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2C)c1 170270572 RYHQMFUJNKRAIT-NRFANRHFSA-N 443.927 4.660 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccco2)cc1Cl 170286225 MBQPWBWMSWXXBL-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2sccc2C)ccc1Cl 170317754 OFXWEUAOEDIBIV-GOSISDBHSA-N 449.956 4.723 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)cc1 170428905 GWCDDXSWTHIQCD-NRFANRHFSA-N 443.459 4.564 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(O)cc2)cc1OCC 170448864 RZTACVSFYZVIEU-QHCPKHFHSA-N 439.508 4.705 30 10 IJEE N#CCCN(Cc1cccnc1)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1 212416431 ANUBYFHJCYCLDC-QXMHVHEDSA-N 439.544 4.951 30 10 IJEE Cc1cccc(C)c1N=C([C@H](c1ccccc1)N1CCOCC1)n1nnc2ccccc21 252693799 FOLOPIXOTNTXLO-VWLOTQADSA-N 425.536 4.700 30 10 IJEE COc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccc(O)cc3O)n2)cc1OC 254838031 CINDWCXKXMYAHP-UHFFFAOYSA-N 442.475 4.685 30 10 IJEE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 257429429 GUERPVMWCQXYEU-XXKGMTADSA-N 444.656 4.820 30 10 IJEE biogenic N#Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)o1 427990419 VKFJHDIQHAGDOQ-UHFFFAOYSA-N 436.276 4.511 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCC(=O)OC)c2ccccc12 468333220 XAOKPAAWDQWGLI-UHFFFAOYSA-N 449.463 4.520 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 476123184 NYUYVTPGITVLCX-UHFFFAOYSA-N 441.325 4.536 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 489522211 LJGLGTFEZGMRSI-UHFFFAOYSA-N 444.304 4.660 30 10 IJEE CC(C)COc1ccccc1/C=N\n1cnnc1SCc1ccc(C(=O)OC(C)C)o1 526831781 VNRAWNCCDDIQBT-MYKKPKGFSA-N 442.541 4.646 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(F)c(F)c1 543630367 SMUMVTYCGNDUSJ-OAQYLSRUSA-N 435.902 4.571 30 10 IJEE C=CCN(c1ccc2c(c1)OCC(=O)N2C)S(=O)(=O)c1ccc(CCCCCC)cc1 586235532 BMEPDLRQAXDDIL-UHFFFAOYSA-N 442.581 4.546 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)c1cccc(OC(F)(F)F)c1 586260346 PSTCYUAXYQOEBX-UHFFFAOYSA-N 448.850 4.746 30 10 IJEE C=CCn1c(SCc2nc(-c3ccoc3)no2)nnc1-c1ccc(Br)cc1 591772935 WEZYYQHZZVEUQI-UHFFFAOYSA-N 444.314 4.829 30 10 IJEE COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N 609379140 VOZXUTJNTIODJS-GFCCVEGCSA-N 441.372 4.510 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1C[C@@H](CCN2CCCC2=O)c2ccccc21 812184557 INIDNSLHRJRRDE-HXUWFJFHSA-N 445.567 4.979 30 10 IJEE CC(=NNc1nc(SCC(=O)c2ccc(F)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084347819 PHBUCUWWISZNIC-UHFFFAOYSA-N 427.549 4.923 30 10 IJEE C[C@H]1CCCCN1CCC/N=C(/Nc1ccc(Cl)cc1Cl)N[C@H]1CCCC[C@@H]1N 1088664500 CEHOELHRBNMWBD-LRQRDZAKSA-N 440.463 4.885 30 10 IJEE CC(C)(C)n1cc(C#N)c(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)n1 1126758654 GXXAIBICSOGPRB-UHFFFAOYSA-N 436.947 4.870 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)cc1OC 1127430806 GHTSJJQGLUUMMB-HDFUYHJRSA-N 431.536 4.644 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3ccc(Cl)c(C#N)c3)cccc21 1129428411 CJSWAORDZPXKCE-UHFFFAOYSA-N 425.916 4.829 30 10 IJEE C=CCCSCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 1130678791 OGNUKXVGHHMPMN-UHFFFAOYSA-N 443.576 4.581 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2(C3CC3)CCC2)c1 1133678793 SNBQHPISZWCKGB-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C=CCC1(C(=O)NCCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)CCCCC1 1136807383 RRNGRRPNLQZROF-UHFFFAOYSA-N 436.552 4.969 30 10 IJEE C#C[C@H](NC(=O)[C@@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1141643889 APIKRPHREFHWCU-WNCULLNHSA-N 432.564 4.858 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1ccccc1 1176188527 SVIVCXCKKZLDKY-FQEVSTJZSA-N 441.528 4.782 30 10 IJEE Cc1c(S(=O)(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)sc2ccc(C#N)cc12 1189701295 FTSFDUMIQKTULG-SECBINFHSA-N 431.486 4.596 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2csc(Br)c2)c1 1190493012 GGCYTXUQVJXRCH-INIZCTEOSA-N 434.403 4.895 30 10 IJEE CC(C)COc1ccccc1[C@H](CC(C)C)NS(=O)(=O)Cc1cc(C#N)ccc1F 1210541077 CXQYLVMMDAQCSH-QFIPXVFZSA-N 432.561 4.939 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 1214895352 CDKRSFZCXDOTCK-UHFFFAOYSA-N 426.948 4.528 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1229158099 MULXPOIEHRKRJN-NOZRDPDXSA-N 448.588 4.666 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 1229989919 PAKKQGXIQGSPGC-GHTZIAJQSA-N 447.348 4.859 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccccc1CC(=O)OC)c1ccc(C(F)(F)F)cc1 1230693321 GKQQSKWWXBPZJG-FQEVSTJZSA-N 434.458 4.928 30 10 IJEE CC(C)C[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)CC(=O)OC(C)(C)C 1231368412 FWDLLMPIAMEMCP-BVSLBCMMSA-N 427.589 4.862 30 10 IJEE C[C@H](NC(=O)c1ccc(Br)cc1C#N)c1ccc(F)c(Br)c1 1273723912 DOIJVQIUSUTQGP-VIFPVBQESA-N 426.083 4.713 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCC(F)(F)C1 1286274370 LYGKUBCTOZJQAE-ZIAGYGMSSA-N 440.336 4.709 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCc1cccs1 1286421789 RNVFENWEZIGUAA-UHFFFAOYSA-N 445.411 4.536 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](SC)C(C)(C)C 1286528099 XHIQWCSHUMBERZ-AUSIDOKSSA-N 430.593 4.766 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(Cc1c(F)cccc1F)C1CC1 1286535629 DHEXZKRJUADRDG-UHFFFAOYSA-N 446.299 4.696 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCC[C@H](C)C1 1286551278 LMUCNQWDWPHFLY-YDHSSHFGSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccccc2C(F)(F)F)CC1 1286637024 RECWULWXQYRACD-UHFFFAOYSA-N 449.521 4.614 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCC(C)CC2)CC1 1286655692 QOPACUWQXKJUIT-UHFFFAOYSA-N 445.558 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1286673640 ZUUBBGOWBMKSEH-UHFFFAOYSA-N 433.604 4.748 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1286720729 WEOXJEYEDMXQSK-UHFFFAOYSA-N 436.991 4.900 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCSC1(C)C 1286758403 MHCGPJUPTGGCSK-XLIONFOSSA-N 426.586 4.501 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1286829123 DIDWWPIQSLIOGH-IAGOWNOFSA-N 425.627 4.743 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c(OC)c1 1287590996 LBHUGZWWOPYPIF-LJQANCHMSA-N 437.367 4.528 30 10 IJEE C=C(CC(C)C)C(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 1295013502 ONTHWOLLSGBAAB-UHFFFAOYSA-N 440.547 4.835 30 10 IJEE C#C[C@H](CC)NC(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1297452614 YRBNZZNFTNZPOP-UZUQRXQVSA-N 436.939 4.564 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(C)C)CC2)CC1 1299770504 ARUFZMCEGACNSS-DEOSSOPVSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C#N)o1 1300271019 GBYYOBIHCIPIKN-DLBZAZTESA-N 437.931 4.659 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H](F)c1ccc(Br)cc1 1300611949 OYSBKXKRBPOYBH-QGZVFWFLSA-N 431.309 4.779 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1300969801 DXJGIOCBDNVPGX-MTFMMBMASA-N 430.618 4.801 30 10 IJEE C=C(Cl)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@H]1CCCOC1 1301061314 SCQDXNWZCQMTKI-RVKKMQEKSA-N 425.360 4.766 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC(C)(C)COC)CC1 1301064091 PKWOUJOEOOIPIT-UHFFFAOYSA-N 439.604 4.756 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1301074652 FYPISGWFCKRCBD-XLIONFOSSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCCCC1 1301139719 UDCQIODTRMHCBF-UHFFFAOYSA-N 444.649 4.529 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCO1)c1ccccc1 1301162813 CEJBYBPBOYYKFQ-NHCUHLMSSA-N 437.975 4.969 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN1CC)C1CC1 1301314369 VABPHZXLACEIRI-PXNSSMCTSA-N 429.996 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(F)(F)F)n1 1301379965 XCHDOQKUDNXYQL-UHFFFAOYSA-N 434.853 4.634 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1303066314 BEJZHRBCOVWICM-OTWHNJEPSA-N 441.542 4.917 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)c1cccc(C#N)c1C 1327123735 HZRCTFBNOHEXDJ-UHFFFAOYSA-N 429.314 4.822 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)cc1 1349683094 MMIUKYKFOJCIFH-UHFFFAOYSA-N 428.488 4.992 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)CSc3cccc4cccc(Cl)c34)CC2)c(F)c1 1352236712 FIMFAHWTCAHORO-UHFFFAOYSA-N 439.943 4.945 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2coc(C3CCCCC3)n2)c(C(=O)OCC)c1C 1355007611 FOBQFAKKJLJASL-UHFFFAOYSA-N 446.525 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC[C@H](OCC)C(C)C 1358875771 VNONDNOYFFCQOP-LPHOPBHVSA-N 433.394 4.617 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1358907141 DWGSEHGDTZJAID-GOSISDBHSA-N 430.955 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(OC)c1 1359100060 WJEZJSZKQMKLBB-XXBNENTESA-N 442.604 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CC)CC 1359102589 CXPFNWXZTHHAEH-WMZHIEFXSA-N 426.605 4.982 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(F)c(F)c2)CC1 1359160922 JODODSUZMRSQEO-UHFFFAOYSA-N 448.315 4.529 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1359168747 HSARPGPADQZDTP-FCHUYYIVSA-N 437.632 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cccc(F)c3[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359192906 RJPNSAGDJLZONB-BVZFJXPGSA-N 442.579 4.795 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359199367 SMDCDBPVDHQCLF-YZZKKUAISA-N 430.980 4.728 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1359223600 QDRMIGDMLJEYNM-FPOVZHCZSA-N 425.533 4.605 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359226380 DSMBVFUXGBYBJF-IBGZPJMESA-N 430.980 4.840 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2CCC[C@@H]21)C(C)C 1359266067 RSOMBQINDWXBSA-ZKMPZPQNSA-N 444.627 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(OC)CCC(C)CC1 1359267783 RYGDXZQYRCECOH-UHFFFAOYSA-N 448.409 4.809 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)c1cc(C)oc1C 1359268979 KIBXNEZURUENBA-SANMLTNESA-N 443.551 4.789 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](C)C1 1359336223 INXQCVXSHQKFMF-KRWDZBQOSA-N 427.618 4.693 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@](C)(O)c1ccsc1 1359926839 DJNAQYWUQUCHHP-QHCPKHFHSA-N 441.576 4.820 30 10 IJEE Cc1cc(Cn2c(-c3sc4ccccc4c3Cl)nnc2N(C)C[C@@H](C)C#N)no1 1361070232 GDFIVKBNKBWLOB-LBPRGKRZSA-N 426.933 4.754 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccccc2C)c2c1CCC2)c1ccc(Br)cc1 1436651073 JEICAZHIVYDXPX-IBGZPJMESA-N 434.337 4.536 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@](C)(c3cccc(F)c3)C2)nnc1-c1ccco1 1437408762 BTFGCHJXZXFZCS-QHCPKHFHSA-N 440.544 4.536 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 1443206856 SKDHCCYHQXVBMG-LEWJYISDSA-N 438.572 4.997 30 10 IJEE N[C@@](C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)(c1cccc(F)c1)C(F)(F)F 1457809067 HOSZAKHHKZELNS-IFXJQAMLSA-N 448.382 4.967 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CCCC3 1458849986 DXPWJPSEUXNHLK-UHFFFAOYSA-N 445.654 4.676 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)s1 1459809987 MYTOMCDKLSRHFV-IEBWSBKVSA-N 448.057 4.982 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1462247681 NHIUEUIJBOXBHQ-MOPGFXCFSA-N 432.992 4.821 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCCc2ccccc2)ccc1Br 1463372578 DVALABLKILZXIJ-LJQANCHMSA-N 447.398 4.887 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 1464657531 UGYHOVILFITBKA-SANMLTNESA-N 432.514 4.828 30 10 IJEE Cc1cccc(Oc2ccccc2NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1465098623 BWRLDPXDCSUURX-YLJYHZDGSA-N 436.512 4.668 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cc2ccccc2)ccc1O 1466545121 GSOHFYMWTBDJLA-IBGZPJMESA-N 430.932 4.957 30 10 IJEE C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1468456979 DHPLNZTUTUSMTG-KRWDZBQOSA-N 435.911 4.735 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(Cc3ccccc3Br)C2)cc1OC 1470871241 SCLXWTKXULUKCU-PKNBQFBNSA-N 442.353 4.737 30 10 IJEE C=CCOCCCC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1470977945 AEIKCJXRBGKLTB-MRXNPFEDSA-N 438.362 4.594 30 10 IJEE CCCC[C@@H](SCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C(=O)OC 1473025482 CJMPZQBFVCGAOK-LJQANCHMSA-N 431.533 4.508 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1507596798 PLIXTUWLUMQSNX-OYNPSCLESA-N 442.629 4.638 30 10 IJEE C#CCSCCn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1ccccn1 1507758733 SBTQOOJJQDWGOY-UZLBHIALSA-N 441.988 4.548 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](COC)C1 1507857858 VHFQXLQVSZWOGD-IBGZPJMESA-N 425.964 4.578 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCOC[C@@H]2C)CC1 1507877500 JDNQTDJJPXIOES-HOTGVXAUSA-N 449.368 4.676 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1507881799 YOVLIJJYBXFDQO-SFTDATJTSA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2cccnc2OCC(F)F)CC1 1507899436 GYDXNAFDRXYWDO-UHFFFAOYSA-N 443.473 4.574 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1507914656 MURCAZPKHKYALC-KRWDZBQOSA-N 427.559 4.858 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C)C1 1507965123 BFZHEFNVOZQZPQ-MRXNPFEDSA-N 439.387 4.993 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCCOC(F)F)C1CC1 1507990923 PVCFXZKTUXCQPM-UHFFFAOYSA-N 445.283 4.631 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCc2ccccc21)C(C)C 1508014987 ZISCUJMLFULFMX-DEOSSOPVSA-N 428.584 4.733 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCSC1 1508020639 NYRLQPJVTYEPGY-OALUTQOASA-N 447.649 4.672 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCSC)C1 1508120119 YXRYZYXRRDIXAZ-WMZOPIPTSA-N 432.659 4.666 30 10 IJEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1512101664 GNHHGLADFCWGES-AZUAARDMSA-N 427.618 4.885 30 10 IJEE C=CCc1cc(CNC(=O)Cc2ccc(Br)c(Cl)c2)cc(OC)c1OC 1527042871 QOJWPXDCOLOASJ-UHFFFAOYSA-N 438.749 4.707 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)c2cc(Br)ccc2oc1=O 1528290379 BVIYSKDEWFEQNM-KRWDZBQOSA-N 426.310 4.781 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC)[C@H]2C)ccc1Cl 1529576377 YSIVQWGCLRNCNE-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CSc3ccccc3O2)s1 1530287843 GCIQHBIYBRLGHI-ZDUSSCGKSA-N 427.016 4.508 30 10 IJEE C=CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)c1ccccc1 1534268580 NBIDJXODKNWRCV-BQSZEUOTSA-N 439.581 4.578 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)c1ccccc1 1534343885 IVZXLOHNHAAIQH-ROKPMTFOSA-N 440.609 4.791 30 10 IJEE C#CC[C@H](COC)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1534422498 BIBFJNCZDHPIHK-GOSISDBHSA-N 439.353 4.685 30 10 IJEE C[C@]1(c2cccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)COC(=O)N1 1536633289 AHLNQWSZVRZBFB-XMMPIXPASA-N 429.501 4.917 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCCc2ccccc21 1538600141 RKRVYLUDXQKGLY-XUZZJYLKSA-N 434.967 4.732 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(CC)CCOCC1 1538982302 DAMPWGKOWZGEKB-MSOLQXFVSA-N 426.630 4.796 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1cccnc1)C(C)C 1539028976 FNCGTIQJBQMOPD-QPPBQGQZSA-N 431.584 4.767 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1539075705 FKWFXDMNQNJTHJ-OZXSUGGESA-N 443.595 4.672 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1539350777 YOQJINCSUJIASI-AKHDSKFASA-N 426.630 4.795 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1Cc2ccc(Br)cc2C1 1539616637 RSOQSBIOIGBZQD-APWZRJJASA-N 431.378 4.665 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCOC 1539620754 NIUACTRTDGJFLS-UNMCSNQZSA-N 426.605 4.697 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1539892262 XDXXISBMWAMPOR-NRFANRHFSA-N 439.991 4.821 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1)c1ccccc1 1539946617 CVOXEJXECCIPHU-HSZRJFAPSA-N 447.631 4.735 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCCC1 1540118791 BFBYVWRGPYHDQG-FQEVSTJZSA-N 425.621 4.509 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCCS2)C1 1540887434 XGEZYVORCYBITI-ROUUACIJSA-N 449.020 4.674 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCSC2)c1C 1542033611 DVNDXSDXMXNCEW-PZJWPPBQSA-N 439.629 4.918 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2CCC)cc(OC)c1OC 1542445738 OBRSTCGDGZNCCY-UHFFFAOYSA-N 433.552 4.809 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NC[C@@]2(O)CCCc3ccccc32)cc1Cl 1543454146 BGXNMVRQTSWGCZ-VWLOTQADSA-N 432.907 4.958 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)CN(C(=O)OC(C)(C)C)C1 1545767523 ZHRFBWMRCFIOEW-UHFFFAOYSA-N 447.532 4.710 30 10 IJEE COc1ccc(/C=N\N=C2/S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)cc1OC 1554646114 IQZGQXWPLDKIGU-DOSRWIIRSA-N 447.516 4.803 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H](c2cccs2)C2CC2)cc1 1559696531 AKZOVSOETOXCCY-QHCPKHFHSA-N 434.565 4.715 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 1559763432 DKFOQCOYGUBQPW-MBSDFSHPSA-N 443.950 4.805 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 1562795063 PQTVCQPJMNCPLE-INIZCTEOSA-N 431.508 4.699 30 10 IJEE Cc1cc(Br)c(Cl)cc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1563044234 BGHPFVQMXMLSJV-SFHVURJKSA-N 434.721 4.888 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1564563985 RKOSZXPAKXLIKU-OAQYLSRUSA-N 439.943 4.764 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1)c1ccc(Br)cc1 1565000560 ZRSLIHIVLBWKPD-YADHBBJMSA-N 441.369 4.557 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 1584708101 KPXLWKOLDYLPHG-RCCFBDPRSA-N 433.143 4.806 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCc2sccc2[C@H]1CC 1587889330 XRKKANWGYBBONU-LJQANCHMSA-N 436.581 4.854 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(Br)c2ncc(C=O)n2c1)c1ccccc1 1589390116 BMYPPWJZRVPIGC-IBGZPJMESA-N 426.314 4.737 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1589546443 QVTHEOLSFSNBIQ-NZQKXSOJSA-N 442.579 4.511 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC(F)F 1593710924 AYBUTRXZMSPCID-UHFFFAOYSA-N 443.336 4.700 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OC(C)(C)C)C1 1593722501 RSTTVDHSLGOJJK-SFHVURJKSA-N 432.996 4.975 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCn1cccn1 1594692771 FWUDUEPCASRPQM-UHFFFAOYSA-N 449.784 4.660 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(CCC)C1 1595127447 POXPTUGAIPNYGK-NRFANRHFSA-N 448.590 4.712 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCc1scnc1C 1595133956 PMHJRSIGCRDPAP-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(C)CCCS2)C1 1595745137 QCHYQJYSMNDOOI-URXFXBBRSA-N 426.630 4.520 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCSC2)cc1 1607164989 CEQXQBZKSBNBFV-JPYJTQIMSA-N 443.592 4.565 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCO[C@H]1C(C)C 1613811777 DCCBTTCFKJGPRS-ZYKOEDHHSA-N 439.604 4.609 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H](C)c2cccc(C#N)c2)s1 1616334049 FBVOKWHFXXSCLI-LBPRGKRZSA-N 442.338 4.944 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 1618808230 XRVQDGDOIVFGGP-AABGKKOBSA-N 436.980 4.615 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCc3cc(Cl)ccc32)cc1 1620649774 CBRKLOWWLCOMBK-UHFFFAOYSA-N 434.927 4.629 30 10 IJEE Cc1nc(N)c2c(C)c(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)sc2n1 1625995999 BCCDGUICAHIKAD-UHFFFAOYSA-N 443.532 4.788 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(Cc2ccc(C)cc2)s1 1627676561 JDOCMFFBACGQLT-KRWDZBQOSA-N 430.574 4.625 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 1634600012 BCPWJWHFKJZYNO-PZJWPPBQSA-N 440.588 4.525 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)cc21 1636358273 ROCNIDPQSCMGIF-VWLOTQADSA-N 427.504 4.864 30 10 IJEE C=CC[C@@]1(C(=O)NOCc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1636968126 FGLUAPONCYVABB-FQEVSTJZSA-N 428.451 4.599 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)Cc1cccs1)C1CCOCC1 1637127130 AXCIUTAONBMCGT-HTAPYJJXSA-N 431.001 4.973 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1cc(C(C)C)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1644788620 ZYYKXMIQAXIPCP-FQEVSTJZSA-N 442.600 4.747 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(c2nc(C3CCC3)no2)CC1 1648910982 ADWYPDAZQVUYNZ-UHFFFAOYSA-N 435.446 4.941 30 10 IJEE C=CCn1c(SCC(=O)c2cccc(OC)n2)nc2sc(-c3ccccc3)cc2c1=O 1652569251 BPSJLOWUDNUBEC-UHFFFAOYSA-N 449.557 4.690 30 10 IJEE N#Cc1c(NC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)sc2c1CCCCC2 1653482175 IFJIUMNRVBQMRR-JOCHJYFZSA-N 437.609 4.589 30 10 IJEE C#CCNC(=O)CN(CCC)[C@@H](CCc1cccs1)c1ccc(Br)cc1 1654303229 MHLUKDCEKSTARY-FQEVSTJZSA-N 433.415 4.646 30 10 IJEE Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C#N)c1C 1656918102 ALHVEXCNODDZAY-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE C#CCN(C[C@@H](O)c1ccc(F)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1657340473 UDDQLTKIHXKJSX-RBUKOAKNSA-N 438.724 4.734 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@]2(CO)CCOc3ccccc32)cc1 1661859953 BLPCITYDNPHACY-XMMPIXPASA-N 431.517 4.501 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1662378335 KJHOGJYAVOLSON-GOSISDBHSA-N 445.434 4.617 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1ccc(Cl)cc1F 1663283277 FDDIARQZDMKMSF-ZDUSSCGKSA-N 442.217 4.684 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 1668852233 HGXJEAQQHGQUNA-UHFFFAOYSA-N 426.435 4.535 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3cc(Br)c(Cl)cc32)cc1 1670773786 MYPVMPUGQXKBPQ-UHFFFAOYSA-N 426.763 4.973 30 10 IJEE CN(Cc1ccc(Br)c(F)c1)C(=O)Nc1ccc(C#N)c(Br)c1 1677425317 BFWBOYHYCUEOPV-UHFFFAOYSA-N 441.098 4.886 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)CC1 1680412300 IPWITTPKQRVYDS-IRJFHVNHSA-N 428.964 4.984 30 10 IJEE C#CCC1(NC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)CCCCC1 1680518904 BOGNYSDUVVTTNI-AWEZNQCLSA-N 431.334 4.586 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(F)(F)CC1 1689877374 XOXNSSAPZHFQQX-GOSISDBHSA-N 432.515 4.856 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1689900602 KRIKFLUPJIRPIE-UHFFFAOYSA-N 436.991 4.558 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1OC1CCCC1 1690079006 QRBWLNALALFXTH-UHFFFAOYSA-N 449.986 4.747 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1 1690251659 XONXHPDRSOYPOM-PGRDOPGGSA-N 429.996 4.677 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCCO1 1690259736 UTSARULHNFLZIV-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1690335563 AXMKGPJUSBJXRI-UHFFFAOYSA-N 425.323 4.787 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CCC=C(C)C)CC1 1690410369 JBOPVDJFCGNREX-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(CC)C1)c1ccccc1 1690444470 HQZWJROPEXGBGF-OZXSUGGESA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H]1CCOC1 1690467882 LNOHNAWNLQNAKO-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1cccnc1 1690515547 OXDHOFONCARHDZ-SFHVURJKSA-N 425.964 4.948 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1690541255 UIFNDJFWCOWEPS-GHTZIAJQSA-N 437.588 4.745 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1[C@H]1C[C@@H]1C 1690567367 ATJCMBRBCNSAJI-WJMWBRGCSA-N 437.588 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1ccccc1OC 1690578404 WTAHYAGZUYLKPB-FQEVSTJZSA-N 438.597 4.678 30 10 IJEE Cc1noc(C)c1CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1693525001 HLTDDJZVZLVGDN-RHSMWYFYSA-N 442.951 4.657 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H]1CCO[C@@H](C)C1 1705606715 DENOXZKKXWKLDK-GBESFXJTSA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN(C)C1CCCCC1 1705611464 FGPCSELTGDJZIN-UHFFFAOYSA-N 446.599 4.714 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC=CCC2)CC1 1705768345 PSGWEOCKJSTZOK-LEWJYISDSA-N 441.620 4.905 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)c(OC(F)F)c2)CC1 1705782158 PXLLZACPZVQGFF-IBGZPJMESA-N 448.514 4.580 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1705782388 VZXRFHZKBOZZRY-OAQYLSRUSA-N 438.620 4.642 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CC(C)C)C1)c1ccccc1 1705794997 AGRQEGDSWPAMQU-JTHBVZDNSA-N 435.616 4.746 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705809411 QIJHWGQOMOILTD-NRFANRHFSA-N 434.588 4.558 30 10 IJEE C=CCCCCn1c(N2CCN(c3c(C#N)cnc4ccccc34)CC2)nnc1C(C)(C)C 1705809724 AFSWWHYLRSXHGD-UHFFFAOYSA-N 443.599 4.678 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccco1)C1CC1 1705850501 WEBRVDASMGOSPF-UHFFFAOYSA-N 429.318 4.512 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CCc1c(C)noc1C 1705860883 QAGZRXIZUMTTIQ-UHFFFAOYSA-N 432.572 4.779 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(C)n1 1705871005 UKAYUQHOMAEDNW-UHFFFAOYSA-N 444.402 4.894 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1705950103 RNHTZYWZTHPHIF-KURKYZTESA-N 447.649 4.504 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1)c1cccnc1 1706256773 GHPAIKDLAIHTMH-QFIPXVFZSA-N 446.624 4.983 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCSC1(C)C 1722287957 ULPKVGNTTSCLEC-CABCVRRESA-N 433.419 4.697 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722310574 LTZPYXMCQGTWEW-GOTSBHOMSA-N 446.599 4.779 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)c1c(C)noc1C 1722357299 XOXVXEKDAWZNFD-GOSISDBHSA-N 435.572 4.767 30 10 IJEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1722480403 QHUTZDVQOTWACC-IEBWSBKVSA-N 449.393 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CCC)CCC 1722494820 SICUMDJSKXYICU-UNMCSNQZSA-N 439.604 4.755 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC=C(Br)C1 1722521137 HHNSWOMHXRKAEB-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](CCC)OC)CC1 1722562783 LHFCRHPVDNXLKM-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H]1CCOC1 1722585048 OXLMMCMAERHJKB-MRXNPFEDSA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCN1CCC[C@H](C)C1 1722654595 QXGOLCYZUOEDLA-NRFANRHFSA-N 439.648 4.800 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1722686665 CDQVVWJJFFJUJD-NRFANRHFSA-N 428.024 4.801 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H](OCC)C1CCCC1 1740537812 ZUBGANWFLFPEHS-CYFREDJKSA-N 446.599 4.779 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C(C)(C)C)cs1 1740601589 FWNBBSLOXHRMJZ-UHFFFAOYSA-N 444.402 4.579 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1740718685 UFMYWGFVQKHGHO-FQEVSTJZSA-N 448.995 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nc(C2CC2)cs1 1740767918 AZPFKOVEZOEYSE-UHFFFAOYSA-N 447.406 4.820 30 10 IJEE C=C(Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C)c1ccccc1 1740798175 BNGKSIITCIKSCT-RBBKRZOGSA-N 446.599 4.508 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCS[C@H](C)[C@H]1C 1740806578 VDSKEWIVMWWRBE-CHWSQXEVSA-N 427.799 4.790 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](F)COC)CC1 1740818146 DFCCKIJNGFNCCH-IEBWSBKVSA-N 436.959 4.829 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1740825211 UZWKKDCCDWPAJQ-YRPNKDGESA-N 428.552 4.917 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1740872209 BOFXLFJDCHVWSH-DNVCBOLYSA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N(C)C)C1CC1 1740907795 YPJYPEAZRHDMGM-LJQANCHMSA-N 429.927 4.788 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC=CCC1 1740919269 AHSQATAFAQUGNN-CJFMBICVSA-N 440.563 4.618 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCN(CC)C1 1748646995 GXQSTPBVKNGEIM-HOTGVXAUSA-N 428.005 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1c(C)coc1C 1748649096 JGSOFIZXDYNCLP-CYBMUJFWSA-N 431.309 4.563 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC[C@H](SC)C1 1748738903 SOKPKUFGAYDNBI-FQEVSTJZSA-N 442.629 4.876 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1748762309 KDCPZRJURXJEQS-SFHVURJKSA-N 444.511 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCc1csc(CC)n1 1749060513 SLMYLAWIZUUILX-JOCHJYFZSA-N 443.979 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1749133554 NCPBIIZCKGGULM-PKICCIJUSA-N 447.048 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1749141972 NVQCGJJDXDXZKU-RBBKRZOGSA-N 439.604 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1cc(C)nc(N2CCCC2)c1 1749148903 KCNXKPJAJCWSOE-UHFFFAOYSA-N 446.599 4.708 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(F)(F)F)CC1 1749240178 UVRINBGUSXERDY-UHFFFAOYSA-N 438.494 4.537 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1749417345 CKPWZGSLJQWYSS-KRWDZBQOSA-N 447.986 4.692 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H](c1cccs1)N(C)C 1749532032 PMRQFEAMNWHEHX-JOCHJYFZSA-N 446.624 4.974 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCOC[C@@H]1C 1749537762 ALPOSQVETMONBX-GHTZIAJQSA-N 437.975 4.859 30 10 IJEE COCCC1(Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1749631160 IAWXCPKDGQTUDL-HSZRJFAPSA-N 439.629 4.826 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCC[C@H]2C)c2ccccc2n1 1751409592 FAAXONOHAXUXAH-PZJWPPBQSA-N 445.615 4.662 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1760132531 OIJKHEPITIIZFY-NRFANRHFSA-N 449.643 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1(OCC)CCCC1 1760289115 HSFYKOMNNALEBX-HSZRJFAPSA-N 444.526 4.888 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](c1cccs1)N(C)C 1760298340 CXXPLBGUNPPUAH-SQJMNOBHSA-N 449.624 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1760334030 NQBFQNKWNZMQQR-RTWAWAEBSA-N 434.632 4.960 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1760358782 ZGYANWAFNHZEDV-GOSISDBHSA-N 431.650 4.862 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[C@H](O)C1 1760419262 MSKOCXHAKYRPKB-FNAHDJPLSA-N 432.653 4.930 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@H]1CCOC1 1760433632 JJSYMLQSJLEVBO-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(O)CCC1 1760482797 QSYWQPUTQLBTBP-FGZHOGPDSA-N 438.616 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)C(F)(F)F 1760490032 OMSVXOHILRBHEM-UHFFFAOYSA-N 435.494 4.914 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1scnc1C 1760490628 CZLIGUDXLSORCH-UHFFFAOYSA-N 431.569 4.521 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)c1ncc(C)s1 1760504413 PDXAUIVHAFGIJS-OAHLLOKOSA-N 431.993 4.806 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCO[C@H]2c2ccc(C)cc2)C1 1760542729 JQHGNAXDOPFKJF-OYRHQHFDSA-N 438.616 4.734 30 10 IJEE Cc1cccc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2CCSC(C)C)n1 1761928733 IECFUNCDRIARRK-UHFFFAOYSA-N 432.597 4.831 30 10 IJEE CC(C)c1nc(C#N)c(NN=Cc2ccc(-c3cccc(I)c3)o2)o1 1772721767 UQCKCCCOAACABJ-UHFFFAOYSA-N 446.248 4.980 30 10 IJEE C=CCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=Nc1ccncc1Cl 1772738276 TWQYVLQCQVBTHN-LHOZKOHVSA-N 426.885 4.989 30 10 IJEE N#Cc1cccc(C(=O)Nc2cc(NC(=O)Cc3c(F)cccc3F)ccc2Cl)c1 1860461977 BQCCRVDAPDQJDU-UHFFFAOYSA-N 425.822 4.923 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Br)cc1 1861340114 YUSPUJSGHQUUAW-GOSISDBHSA-N 443.451 4.777 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cc(Cl)cc(Cl)c1 1862444471 ZDYVDFHTYPGDAG-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(O)cc1 1862457003 FWDJTKHSSMBIJQ-HXUWFJFHSA-N 433.426 4.968 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(Cl)c1 1862490839 FIKHMXQLTXUKKA-OAQYLSRUSA-N 427.928 4.962 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2c(F)cccc2Cl)ccc1F 1862505867 UECJPQCQLVONME-VBKZILBWSA-N 447.865 4.684 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1)c1cccc(Br)c1 1862523173 BKICNGUNLWOWHN-LJQANCHMSA-N 442.309 4.676 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2)cc1 1862590408 IEAYFTJUURUDPP-CMJOXMDJSA-N 447.462 4.879 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)C)cc1 1862608680 SVKVGLCQRKOFHZ-QMHKHESXSA-N 435.520 4.958 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(C(=O)O)cc1 1862654816 SJKOKRDAHFTBPD-OYHNWAKOSA-N 429.472 4.915 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc2cc[nH]c2c1 1862738812 JXRXBBODMJRYME-NRFANRHFSA-N 433.464 4.701 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 1862746263 BRJHADJQHFNFPA-HXUWFJFHSA-N 426.444 4.893 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1862797269 HQTSCVXRNKETAW-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(CCCOC)C1=O 1863654702 AFKHWSIDECNRMG-UHFFFAOYSA-N 436.543 4.812 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(OCCC)cc2)C1=O 1863685630 QUZIVKWPAQSPSF-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)c(-c3ccccc3F)nn2C)cc1OCC 1866004421 HNDUUCIWWUIFHW-UHFFFAOYSA-N 436.487 4.928 30 10 IJEE CCc1cccc2c(=O)cc(C(=O)Nc3ccc(C#N)cc3C(=O)c3cccc(C)c3)[nH]c12 1866488212 NFCBISALGDDSKC-UHFFFAOYSA-N 435.483 4.754 30 10 IJEE CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccc(F)cc1 1868095580 HAYGSCHGGYIPSS-QGZVFWFLSA-N 434.355 4.992 30 10 IJEE CCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868401412 YUAJXHAOKYITQG-QHCPKHFHSA-N 442.542 4.603 30 10 IJEE C#CCOc1cn(CCC(C)C)c(CSc2nc3ccc(OC(F)F)cc3[nH]2)cc1=O 1870298497 CYTYXLANZGFQQU-UHFFFAOYSA-N 447.507 4.676 30 10 IJEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN(CC)CCO)cc1=O 1870413286 YMTWFBQGYYDVTL-UHFFFAOYSA-N 428.617 4.563 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(Cl)cc2)cn1CCN(CC)CC 1870439587 IWSPVQGYBGDKIP-UHFFFAOYSA-N 444.019 4.597 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871008707 JPIGNNBPZNOUMM-UHFFFAOYSA-N 433.527 4.506 30 10 IJEE CCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O 1871350464 HJIBVUDYIKACLB-JAIQZWGSSA-N 431.891 4.982 30 10 IJEE C=CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cn(CC)c2ccc(OC)cc12)C3=O 1871350482 HYXMCQKMQODWJF-KSEXSDGBSA-N 430.504 4.932 30 10 IJEE Cc1cc(O)c(CN2CCC(CO)CC2)c2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871397158 NUULHUDQYHTTPC-JMIUGGIZSA-N 448.346 4.828 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 1871460479 OVIICWSBDXIPIY-MYKKPKGFSA-N 443.455 4.666 30 10 IJEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871682218 ALMGOJXGKGJJBH-QGZVFWFLSA-N 432.563 4.746 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)nc(Nc2ccc(N(C)C)cc2)[nH]1 1871696094 JSZLVCPWOSJOCD-UHFFFAOYSA-N 449.990 4.547 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871791800 GXGSXYBXOJVCDK-GOSISDBHSA-N 445.343 4.727 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1872290360 KQHAQBXQPSYOQA-GBXCKJPGSA-N 442.625 4.858 30 10 IJEE CCCOc1c(/C=N/Nc2cnn(-c3ccccc3Cl)c(=O)c2Cl)cccc1OC 1873529545 UYJWRUZGFSHZHW-WYMPLXKRSA-N 447.322 4.783 30 10 IJEE CCOc1c(/C=N/n2c(COc3ccc(Cl)cc3)nnc2SC)cccc1OC 1874262810 RQGBOBBYWWPXMU-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cccc(OCC)c1 1874292256 UFQVABSRJRSDGH-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE Cc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccccc2)cc1 1874411089 UEXPQXPQSGRFSK-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE CCCOc1c(Br)cc(/C=N/n2c(SCC)nnc2C2CC2)cc1OC 1874518828 LVRYICKWXWTGIR-RGVLZGJSSA-N 439.379 4.710 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCc2ccc(Cl)cc2Cl)n1N 1874554856 WYXZZLKTHZKCSH-UHFFFAOYSA-N 437.352 4.735 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCC(=O)OCCC 1874602382 JFNDBECJOIXVBG-ZHACJKMWSA-N 439.464 4.560 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OC(=O)c1cccnc1 1874696250 OPVKZJSEBVNFJQ-ONNFQVAWSA-N 438.277 4.968 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1OC(=O)CC 1875111005 NYIQJDIBNLJGBW-BJMVGYQFSA-N 448.269 4.968 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cccc(SC(F)(F)F)c2)c1 1891200547 WWQANKKFEDRFTP-UHFFFAOYSA-N 436.499 4.957 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)c1ncc(Br)cc1Br 1922102867 JLFFUSFCXOLNFV-INIZCTEOSA-N 426.152 4.640 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@@H]2C[C@H]21 2008448966 OOXGHEWYIOYGMT-PMAPCBKXSA-N 431.508 4.859 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2020316723 FHGFLKOLIAWPGA-CYFREDJKSA-N 437.625 4.617 30 10 IJEE C=CCN(CC[C@@H](Cc1ccc(F)cc1Br)NCC)C(=O)OC(C)(C)C 2099286961 DVULBBZMIHATNC-KRWDZBQOSA-N 429.374 4.922 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 2134985268 ATSRUYOJRVGVPR-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE COC[C@@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CCCCO1 2146066564 OZFNOQDWVAXLKS-YLJYHZDGSA-N 439.350 4.668 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(Br)cnn1C(C)C 2159126169 RZITYPYNVNSRHR-DLBZAZTESA-N 441.414 4.574 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(CNc2cc(Br)cc(F)c2C#N)CC12CCC2 2163690543 VJFMQRXUKNLYLO-FQEVSTJZSA-N 438.341 4.957 30 10 IJEE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(c3cc(Br)cc(C#N)c3)C2)C1 2174813562 XVRMAUZSPBKHMY-INIZCTEOSA-N 434.378 4.794 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](Cc1cccnc1)NC(=O)OC(C)(C)C 2221710748 ADWKDHGUDUVZRG-RPWUZVMVSA-N 439.600 4.659 30 10 IJEE CCCc1ccc(C#C[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1 2223326784 QZDKYEVDZSPIFO-YNJKOYDBSA-N 436.596 4.817 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@@H](CC)CN1C(=O)OC(C)(C)C 2235727202 JYSFKOMGTRURMF-NSISKUIASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@@H](N)C#Cc1ccccc1Br 2235745979 GRJZVJWJIZWQFQ-SIKLNZKXSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Nc1ccc(C#N)c(Br)c1F)C2 2241103343 CBBMCXFIVLCBNJ-DDUYRFODSA-N 438.341 4.954 30 10 IJEE C#C[C@H](C1CC1)N(C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243919853 ZFFPNDZCCKDNHY-IZZNHLLZSA-N 444.575 4.810 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247779560 WFPOCBYYQZOJBT-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(F)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2266308887 YSGOFRFZJDWQOT-UHFFFAOYSA-N 427.314 4.730 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccccc1Br)C2 2289336666 DCSQBCYSAPBDTR-UHFFFAOYSA-N 432.358 4.843 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2296221666 KOSDCCWRVBVANY-QAPCUYQASA-N 449.311 4.624 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296276700 KVEVDEOCLGEQLJ-HSALFYBXSA-N 436.390 4.691 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]1C 2296285464 AWQRCANCXCMAJQ-PERKRYKHSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317352811 BJPPWGWJZRJZEZ-QFQMRYFISA-N 429.370 4.538 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CC2)cc1 2320843936 IZUCIVCRPHHBAF-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C2CC2)cc1 2320861054 OSYIOZSDZJUKPA-UHFFFAOYSA-N 439.629 4.876 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1ccccc1Cl 2320927767 UYVUCICWHVLIDA-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)OCCO2 2322667454 GCYAEMOORZDJKG-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2322961419 PPEWOPDQEDBQPN-UHFFFAOYSA-N 431.419 4.928 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1cccc(C)c1 2323101716 XSYPKFLVAUYSFW-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE C=C(C)COc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 2323453698 HBMGALDWXHVXPL-UHFFFAOYSA-N 427.453 4.862 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(F)cc2F)cc(OC)c1OCC(=O)OCCC 2323740044 OFYUTROGDWJUSB-UHFFFAOYSA-N 430.447 4.930 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(OC)cc1)C2=O 2324090766 IOLYRPYQMAJJBP-UHFFFAOYSA-N 444.531 4.785 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325072455 FHVCYSYSAJKJMA-OAHLLOKOSA-N 430.884 4.612 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cccc(OC)c1OCC 2325549857 ZJFYZHKWCQWDSS-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cccc(OC)c1OC 2326681467 VTRHFAACVQZYQV-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)c(OC)c1 2330889141 NDTBXICMXOEQLR-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)c(F)c3)c([N+](=O)[O-])c2)cc1 2330970820 LSUBOWQXZCHQOU-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2)c1 2331183325 WIHZTCFBLLODID-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2c(F)cccc2Cl)cc1 2331616644 YIDHONOSICCBRO-UHFFFAOYSA-N 434.924 4.790 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(SCCCO)nnc2C(C)C)cc1OC 2331707955 DLQHXPZSBWSXFB-UHFFFAOYSA-N 434.606 4.726 30 10 IJEE CCOc1cc(C=CC(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)CCOC 2331774111 ODESHPDTGFGSLE-UHFFFAOYSA-N 441.480 4.757 30 10 IJEE CCC(=O)Oc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1Br 2331885855 APJMSOVNIDHRAF-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE N#Cc1c(F)cc(Br)cc1OCc1cccc(I)c1 2341626013 BIWKLJZSJQUTOB-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE Cc1cc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343647251 YUSMTTBJPKXSBJ-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE CN(Cc1ccc(I)c(Br)c1)c1ccccc1C#N 2349813758 QKUYURCGXKTQDN-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE N#Cc1cnc(OCc2ccc(I)c(Br)c2)c(Cl)c1 2350072218 UXEFNGYYPLHVQS-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CN(c3cc(Br)c(C#N)cc3F)C[C@@H]2C1 2358257695 VZHKIKLUSDEYGN-SNPRPXQTSA-N 438.341 4.589 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)Cc1cscc1Br 2369071965 XZRJOSNRZAEPQJ-UHFFFAOYSA-N 440.187 4.581 30 10 IJEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)ccc1OC(C)C 21250199 VFBPYTHMMZVIOT-PZJWPPBQSA-N 449.547 4.885 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2OC)c1C 32972052 FJPBVLIYJDSXCO-UHFFFAOYSA-N 447.583 4.852 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCOC)c1 39910405 LGGQQVGYNQGFLR-QFIPXVFZSA-N 433.504 4.556 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1OC 40098409 IEJSMRCCPDSLGL-NRFANRHFSA-N 435.476 4.828 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC)c1 40513342 HOQQDMLDTSOAEK-HSZRJFAPSA-N 433.504 4.556 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)c1 41587195 FOAGBOUHXPOSRG-JJFYIABZSA-N 433.460 4.574 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 59040443 QMMMIZHOBPJSLJ-UHFFFAOYSA-N 432.859 4.550 30 10 IJEE C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 96347721 RQXFIFSIGRFXOD-UFYUIGSGSA-N 446.672 4.899 30 10 IJEE CCc1ccc(CCOc2ccc(/C=C\C(=O)c3ccc(S(C)(=O)=O)cc3)cc2)nc1 97475320 JFJIDVAYKYRGSH-CHHVJCJISA-N 435.545 4.565 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C)c2)S/C1=N/c1cccc(C(F)(F)F)c1 100193758 XBGPHFQIJZNBHH-LKGQYPBNSA-N 435.471 4.994 30 10 IJEE CCCCCCCCCCCCCCCCNC(=O)CSC1=NC(=O)CC(=O)N1 100999695 NFIZYHWJWIPVKY-UHFFFAOYSA-N 425.639 4.720 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934906 HVGWXKMEKMWBMQ-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccc(C)c1 169972279 PEYLOXRSGOFQJH-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccncc2)s1 170018578 PJXOTNKHQJJEGZ-KRWDZBQOSA-N 443.887 4.730 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1ccccc1 170047730 VZLOOMKWWWQTBM-QHCPKHFHSA-N 428.488 4.544 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2F)cc1 170069444 IYXPDGRWQJSLHW-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@H]2c2ccccn2)c(C)c1 170170061 RIYFUDRQWPUIPG-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccnc1)c1cccc(Cl)c1 170191507 ZJZCFKAHDYUJEM-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccncc1 170199844 KCQXQYWQKHCUDG-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2)cc1 170224996 DDFZBCWDQDVSAJ-VOIUYBSRSA-N 441.483 4.802 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(C(C)C)cc1 170244342 MEHPYVOGCDKQHU-OAQYLSRUSA-N 443.927 4.697 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(O)c2)cc1 170258887 FXTACUSDUYPXOG-HSZRJFAPSA-N 445.471 4.670 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)cc1C 170274920 GLMRMAZTLNOCCT-XMMPIXPASA-N 442.515 4.794 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2C)cc1OC 170275369 CKDMSGXCCIJMAI-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2O)o1 170301108 HHGRTGQACOETOP-JOCHJYFZSA-N 433.460 4.864 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2cccnc2)o1 170307523 XZUVLSPMLPOMRA-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1Cc1cccs1 170312724 GBHAUGLOLNEGRW-LJQANCHMSA-N 437.542 4.831 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)c(O)c1 170321902 HARICXUUVCDYSR-HSZRJFAPSA-N 435.520 4.658 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 170338416 BURLSSRTHQGXNL-JOCHJYFZSA-N 448.544 4.996 30 10 IJEE Cc1cccc(C(=O)[C@@H](C#N)c2cccc(Br)c2)c1I 235919026 WBDULCUPKSTTTJ-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 303658685 MJMZEXAPAXVRMW-QFIPXVFZSA-N 445.906 4.707 30 10 IJEE C=C(C)[C@H](NC(=O)N(CCO)Cc1cc(Br)cs1)c1ccc(F)c(F)c1 426137161 FQFZAGUBOFTJPF-KRWDZBQOSA-N 445.329 4.610 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 460959719 OBOVGZXAILWSFE-FQEVSTJZSA-N 449.511 4.788 30 10 IJEE C=C(C)Cn1c(S[C@H]2CCCN(c3ccc(F)cc3C)C2=O)nnc1-c1ccncc1 481364187 PAZNZAIUWBNYJS-FQEVSTJZSA-N 437.544 4.651 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 490328091 QTPQBQZKJXZEJQ-UHFFFAOYSA-N 445.541 4.528 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)cc2)cc1OC 526515174 IAGVWKRWVXIFNU-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccncc2)c1OC 526608291 CAISHDDYSWQQDJ-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@H]1c1cccc(O)c1 526608589 HCXAWHUSESRGAY-QHCPKHFHSA-N 442.471 4.728 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 549669704 LELAVHJBCHACMF-GBXCKJPGSA-N 448.567 4.798 30 10 IJEE N#Cc1cc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1F 552426630 SLOJPQSGCIYIHH-QGZVFWFLSA-N 446.322 4.949 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C)cc1C 733196450 CDXJLYHIXSWTEW-JOCHJYFZSA-N 433.577 4.904 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 750687166 LEJCOYXYFMFQPR-UZUQRXQVSA-N 425.554 4.942 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@@H]1c1cc(-n2ccnc2)cs1 783938180 ALVQVLOEYCMIAV-OAQYLSRUSA-N 436.512 4.550 30 10 IJEE C#Cc1cccc(N2C(=O)/C(=C\c3cnc(-c4ccccc4OC)nc3)SC2=S)c1 794185788 RMIFMMFWASEZLL-UDWIEESQSA-N 429.526 4.539 30 10 IJEE N#C[C@@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 916937577 GCGMBAQAVXJEGG-IBGZPJMESA-N 436.870 4.933 30 10 IJEE CCCCNC(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1083902836 OBZBWWXWMZFXQY-UHFFFAOYSA-N 432.553 4.566 30 10 IJEE N#C[C@H]1CN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CCN1Cc1ccccc1 1126036162 BDUIYOGZIWMKLN-UKILVPOCSA-N 445.563 4.896 30 10 IJEE C=CC1(CC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)CCCCC1 1126485295 UMNNHRYAGOAWHC-LJQANCHMSA-N 432.992 4.613 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)cc1 1128193834 RTRIWDAOTIOUKD-LAUBAEHRSA-N 432.561 4.820 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@H](C)n2cc(Br)cn2)C(C)(C)C)cc1 1128252138 OYEPCBCXOYCPJM-INIZCTEOSA-N 434.378 4.989 30 10 IJEE C#C[C@H](CCC)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1129728142 KREXZLOFKVSTNU-OAQYLSRUSA-N 426.495 4.817 30 10 IJEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCCc2ccccc21 1134093606 QVDZZRWFIHTANW-VGOFRKELSA-N 441.358 4.886 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1)C(C)C 1176373543 SBSCDBOLTLHPGA-UHFFFAOYSA-N 426.564 4.700 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 1202243256 UULKOOBQGVMUFF-CALCHBBNSA-N 429.358 4.687 30 10 IJEE C#C[C@@H](NC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 1222521111 VWDWYDUBEKDWRJ-RUZDIDTESA-N 438.506 4.911 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1 1230566207 QBGSEUWBJHVYAJ-GMQQYTKMSA-N 441.550 4.858 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(Cl)cc2)nn1 1252077529 XWJSGVYDXTWOCR-UHFFFAOYSA-N 446.338 4.905 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC1CC(OC(C)(C)C)C1 1286278111 LKFUOJWICOSNKT-UVHRUJRTSA-N 442.579 4.999 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)Cc1cccs1 1286364592 FTYBAYVVRDHKEU-AWEZNQCLSA-N 447.377 4.856 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)Cc1cccs1 1286436797 WFTMNLJEVVBAEW-MRXNPFEDSA-N 430.524 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1286556409 PAXUNEYZZHNYPU-DQLDELGASA-N 448.970 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286666738 DTPCSKHGJWAXCX-OAQYLSRUSA-N 438.576 4.520 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1286680818 FMPKYWMIWKEWPR-YNMPZUNCSA-N 438.616 4.772 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H](CC(C)C)N(C)C)C1CC1 1286733267 WOQSCRCEDYUCNK-GOSISDBHSA-N 446.437 4.839 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1286833126 VRMFXUMFLPFXOK-QGZVFWFLSA-N 434.556 4.539 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)C1 1287736507 AGLBESVPCKDJKV-IRLDBZIGSA-N 446.599 4.975 30 10 IJEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](CC)c1ccccc1 1292052992 IFYAWYHSJVWZHI-HXUWFJFHSA-N 436.604 4.520 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1cccnc1)C(C)C)C1CC1 1295249904 HHZMYQPCKMVDMQ-QHCPKHFHSA-N 430.556 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)cc1C(F)(F)F 1300285972 CKODNQZZCPNXEB-GFCCVEGCSA-N 437.828 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1=CCCCC1 1300303317 JIEFNCBMVWPVGS-FPOVZHCZSA-N 441.620 4.741 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1300352575 MWOIOFOEOUNXFP-JOCHJYFZSA-N 434.506 4.587 30 10 IJEE C#CCN(C(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1)C1CSC1 1300608875 AMMUTTYWVRTXAL-LDADJPATSA-N 434.586 4.813 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCOCC 1300740704 BJHITNDHSSSLBX-UHFFFAOYSA-N 435.018 4.652 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1cccs1 1300746633 UODZTSAKLWOPNC-MRXNPFEDSA-N 430.002 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(C)C)C1 1300889495 QSDDJERNYZULJF-HFMPRLQTSA-N 426.580 4.862 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1301023168 CMWRWWSQRNWTAA-IBGZPJMESA-N 434.769 4.899 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2sccc2C)CC1 1301063814 KJRMSIAGKWZXDK-UHFFFAOYSA-N 435.597 4.916 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(F)(F)Br)CC1 1301065577 GTTYFVKCOCIEMA-CYBMUJFWSA-N 445.283 4.701 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1)c1ccccc1 1301166104 PMGIIPUASBVWLB-XMMPIXPASA-N 449.643 4.990 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC2CCCCC2)CC1 1301225942 NJSRWGKUCVEZNZ-UHFFFAOYSA-N 437.632 4.546 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(CC)s1)C1CC1 1301312889 QEDIFHZCMJHSLP-UHFFFAOYSA-N 435.597 4.974 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(OC)cc1OC 1301360195 XILYJDVTXAECBI-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)C[C@H](C)c1nccs1 1301529044 HMMKPBSKRXQGGQ-SFHVURJKSA-N 446.580 4.650 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1301964889 FPMRZVWYTSVUMI-MPCDZSKCSA-N 433.604 4.533 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1F 1309165125 AUTFLKNLIFAAAV-UHFFFAOYSA-N 426.435 4.850 30 10 IJEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 1309193275 GEESJQKCUVXNCT-UHFFFAOYSA-N 427.909 4.623 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)cc1 1354105416 XOEZZDJDXHHFCT-CCEZHUSRSA-N 438.471 4.554 30 10 IJEE CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1357964423 CHGHYYHEZABDSJ-GOSISDBHSA-N 429.476 4.673 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc(OC)c1OC 1358049536 VAHCTOFRXDBTBC-UHFFFAOYSA-N 430.504 4.615 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1358980268 PCMYWJSOINBXNZ-IEBWSBKVSA-N 434.893 4.889 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1359013596 FIZXYPHCAPRVFL-KRWDZBQOSA-N 449.624 4.563 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](SC)C(C)(C)C 1359020631 KRTKUNVBRANMSP-GOSISDBHSA-N 439.000 4.601 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](CC(C)C)C1 1359050595 VNMUXDFWEMBWEL-LJQANCHMSA-N 434.613 4.574 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359086395 VQDAUGMAABFOQC-TXEJJXNPSA-N 431.350 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS[C@H](CC)C1 1359094114 XFPRDBJJMWZSGK-SXLOBPIMSA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CC1CCN(c2ccncc2)CC1 1359114179 ANILBRUOYYMNRE-UHFFFAOYSA-N 448.590 4.722 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2CC(OC(C)(C)C)C2)CC1 1359172695 FPFHITBOZUZVCC-UHFFFAOYSA-N 445.652 4.583 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1359203527 QRGREKFUHTUZLY-SFTDATJTSA-N 440.563 4.767 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2nccs2)C1 1359206625 KPDVDLXCYXRADN-CEXWTWQISA-N 445.633 4.587 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1nc(C)cs1 1359234600 USSLKIYMQMNLHF-UHFFFAOYSA-N 438.782 4.796 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1nc2cc(Cl)ccc2s1 1359281668 GVZJCJPGRMFCPK-UHFFFAOYSA-N 434.009 4.817 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1435221600 NTJYTRCLXGKUOX-IBGZPJMESA-N 432.561 4.981 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCN(Cc3ccccc3)c3ccccc32)c(OC)c1 1435599463 HTXKRJJZWQNXBV-UHFFFAOYSA-N 428.532 4.856 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1csc(-c2cc(Br)ccc2OC)n1 1436191119 PYENXIJHVJHDLX-UHFFFAOYSA-N 441.350 4.857 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1436649786 WLNDNFJJLNFNQY-MOPGFXCFSA-N 435.738 4.742 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 1441058979 NLJIQHUCCAGMBX-HXUWFJFHSA-N 430.552 4.921 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 1441094548 RRCHJDQQBDKQII-FQEVSTJZSA-N 438.528 4.522 30 10 IJEE CC(C)[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)NC(=O)OC(C)(C)C 1443807606 BQALFPJZUMHHFM-FQEVSTJZSA-N 441.503 4.769 30 10 IJEE C=CCN(Cc1cc(Br)ccc1OC)[C@H](Cc1ccccc1)C(=O)OCC 1459956192 WZIDGZRMHQHGJW-HXUWFJFHSA-N 432.358 4.620 30 10 IJEE C=CCc1cc(C(=O)Nc2cnc3ccccc3c2Br)cc(OC)c1OC 1462615345 RUHHNPUTCHSVTN-UHFFFAOYSA-N 427.298 4.995 30 10 IJEE CC(C)c1ccc(-c2nc(CC(=O)N3CCN(c4cccc(F)c4C#N)CC3)cs2)cc1 1463868905 AOOCYKWNVVTGTH-UHFFFAOYSA-N 448.567 4.836 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](CC(F)(F)F)c2ccc(C)cc2)c(C#N)cn1CC 1466883370 HAZSNJBGSGFWFT-MRXNPFEDSA-N 436.434 4.680 30 10 IJEE C=CCOc1ccc(CN[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1Cl 1474129297 BNVRGKQKPUXNKG-SFHVURJKSA-N 435.749 4.562 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 1475406236 FOKCFVFZWFGFOE-UHFFFAOYSA-N 435.300 4.654 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 1477670303 XKLXJFRXWLGDRN-ZEQRLZLVSA-N 425.548 4.596 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C[C@H](C)c1nccs1 1507572939 AXUMBSXXKMAPHD-IRXDYDNUSA-N 427.549 4.667 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCC1(C)C 1507702239 SKWFDVRXJWNNNC-JOCHJYFZSA-N 431.559 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCC[C@@H](C)C1 1507794310 HJWFHTYEESPPFH-RFWXGWTQSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN(CC(C)C)C1 1507814693 CNAMSRDXSLSQOZ-NRFANRHFSA-N 427.612 4.778 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCCNC(=O)OC(C)(C)C)CC1 1507880476 JNSPBDGONPJDLN-UHFFFAOYSA-N 439.604 4.969 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1507915545 CKECDMBDWIBQAB-XZOQPEGZSA-N 438.616 4.960 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCCCO1 1507999959 SJKFJPWCAGSCJM-GOTSBHOMSA-N 435.572 4.543 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H](C)N1CCC(C)CC1 1508000701 YYKSZZURSPHOPH-OAQYLSRUSA-N 432.616 4.730 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCC[C@@H](O)C1 1508009819 BPTJVKFYRCTGLS-CMKODMSKSA-N 430.980 4.801 30 10 IJEE C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C)=C(Br)C1 1508057566 AMOMZIAJPKUOTR-UHFFFAOYSA-N 426.318 4.665 30 10 IJEE CC(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1509044555 ANKFBAJCUBQFBT-HSZRJFAPSA-N 434.632 4.810 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)C(C)(C)C)cc1 1517425482 RJQMAGLBYFHSBT-IRQNMHNUSA-N 426.601 4.806 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)OCc1cc(Br)cc(C#N)c1 1519854673 HUOSJZMALGAMCG-UHFFFAOYSA-N 442.288 4.548 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 1521590465 OCHXXELJMDBRAF-YWZLYKJASA-N 434.565 4.636 30 10 IJEE O=C(c1cc(COc2ccccc2F)on1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 1521681845 HQFRLHDFINNSPY-ABAIWWIYSA-N 440.315 4.738 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(S(=O)(=O)C(F)F)c3)c2C#N)C1 1527276396 AWVQXXBLHHXXOA-LBPRGKRZSA-N 438.521 4.629 30 10 IJEE C#CCN(C(=O)c1cccc(N2CCCC2)c1)[C@@H]1CCOc2ccc(Br)cc21 1529627792 XZYXNJUVRGZFQE-OAQYLSRUSA-N 439.353 4.649 30 10 IJEE C[C@@H](c1ccccc1Cl)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1533188501 DTCBKQRGVBHGAT-HOCLYGCPSA-N 442.346 4.970 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1535745567 WCYYENTZUCZNAM-HSZRJFAPSA-N 447.604 4.586 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1537203737 FOBCDSJSBYCQAA-QGZVFWFLSA-N 425.451 4.787 30 10 IJEE C=CCN(C(=O)c1cc(Br)ccc1CC)[C@@H](Cc1ccccc1)C(=O)OCC 1538618644 MRTBHTHTBVVKDG-NRFANRHFSA-N 444.369 4.814 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C=C)CC1 1539066151 PQQQHBBETIPLSW-NRFANRHFSA-N 441.620 4.599 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(Cc1ccnn1C)C1CC1 1539103012 MSAVBOJDSZJUTB-UHFFFAOYSA-N 429.355 4.568 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCOC1CCCCCC1 1539319879 JXBDUABWPUBHOR-UHFFFAOYSA-N 441.579 4.696 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCc2c(C(F)(F)F)ccc(Cl)c21 1539429131 SOVFNYGQLKOPKC-UHFFFAOYSA-N 437.849 4.860 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC1(c2ccccc2C)CCOCC1 1539671592 LOBKTHUGWWETGY-UHFFFAOYSA-N 445.611 4.723 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1539779799 GQKPGFMQKSBEJM-OAHLLOKOSA-N 433.343 4.502 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1540006916 HRIPAZNGICSMPU-KRWDZBQOSA-N 429.977 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1ccc(Cl)s1 1540161274 AKZDUKXUANWGLG-UHFFFAOYSA-N 428.945 4.810 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCCO1 1540180867 XQRAPIAEXFEKLO-OAQYLSRUSA-N 437.975 4.798 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 1544936857 HFGBGUKRMPMFPY-KDURUIRLSA-N 437.540 4.914 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)CC1 1555993897 FODKGIYALCENKC-IBGZPJMESA-N 431.993 4.536 30 10 IJEE C#CCN(CC#C)CC(=O)N(Cc1ccccc1)c1nc2ccc([C@@H](C)CC)cc2s1 1559554746 KBJRGSKTXHQHAZ-FQEVSTJZSA-N 429.589 4.911 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)c1 1568011517 XQSRXABRKFRTQE-QFIPXVFZSA-N 428.598 4.576 30 10 IJEE Cc1cccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1S(C)(=O)=O 1585111472 BMNGGZBHWVVVKQ-UHFFFAOYSA-N 440.908 4.968 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Cc3ccc(OCCOc4ccccc4)cc3)cc21 1585551537 FDDLOPMHUZMZSV-UHFFFAOYSA-N 427.504 4.861 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@H](OC)C1 1587718580 IYFFZWJKHWERMI-CMKODMSKSA-N 426.630 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1oc(CCC)nc1C 1589233955 NRXAZJDIUNFMET-AREMUKBSSA-N 431.584 4.743 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1589580259 NHUWEDTZOAYCNA-IYARVYRRSA-N 427.980 4.689 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCN2CC)CC1 1594013160 CPRDYWGORINFSY-CTNGQTDRSA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1594102418 MCWACXZYHWGAJU-QFIPXVFZSA-N 425.596 4.532 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1nc(C(C)C)cs1 1595116655 UGWQXJIGKRGKCF-HXUWFJFHSA-N 437.613 4.993 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)CC1 1596947391 FJCBQTGVNKPGGD-RZDIXWSQSA-N 434.337 4.981 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc3[nH]cc(I)c3c2)c1 1611411103 GYTPDASAHJLRSQ-UHFFFAOYSA-N 432.261 4.980 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 1616488086 LBOFLPASJKIKPO-YOEHRIQHSA-N 436.936 4.963 30 10 IJEE COc1cccc(C2CCN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CC2)c1 1617230831 AKHBPSPFXPGHAK-UHFFFAOYSA-N 425.960 4.783 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1C#N 1632373386 HWDHLNYFMQTOQD-UHFFFAOYSA-N 447.391 4.822 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 1633260451 GCECOQPSQSWBGE-HXUWFJFHSA-N 444.384 4.972 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1633418292 TUGIPAIVDXVJEC-OAQYLSRUSA-N 445.485 4.880 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CCCC1(C)C 1634321732 ORKWFEPOQAXVQT-HSZRJFAPSA-N 440.609 4.680 30 10 IJEE C#C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cl)cc1F 1635192523 XIUZXBGWHZXQCH-VIFPVBQESA-N 438.577 4.902 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)c1ccc(Br)cc1 1636562542 MUXTXQFAIJJROG-RBUKOAKNSA-N 443.341 4.687 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccccc1)c1ccccn1 1637747932 MSMOQMZQLKVCNG-TZIWHRDSSA-N 443.975 4.560 30 10 IJEE C=CCC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)C(=O)OCC 1640863232 GGHFSWIGNLHIBW-NBRGKURFSA-N 430.504 4.942 30 10 IJEE C#CC[C@@H](NCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC)c1ccccc1 1645099915 HAYUZIWMDWDSSZ-HXUWFJFHSA-N 432.545 4.885 30 10 IJEE C#CCCN(CCOC)Cc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 1647850745 ISSJPHJSVGCVSK-UHFFFAOYSA-N 426.369 4.606 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1648438986 JFGNJZRQDCIDNB-UHFFFAOYSA-N 437.477 4.681 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1OC 1651919911 VTOJXUPSSHLOOU-UHFFFAOYSA-N 449.016 4.546 30 10 IJEE C=CCCC[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)OC 1652012601 CIGXILZFORNDKP-INIZCTEOSA-N 425.312 4.595 30 10 IJEE Cc1ccc(C(C)(C)C)cc1SCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1656028057 GRDAFUYASKLASJ-IBGZPJMESA-N 427.639 4.855 30 10 IJEE CC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(Br)c1 1656702376 BSVGIMQMMWYJBM-UHFFFAOYSA-N 447.354 4.871 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 1657158362 PMPJLSYJBKWHSS-CYBMUJFWSA-N 434.309 4.685 30 10 IJEE C#CCOc1ccc(CNc2cc(Br)cc(I)c2)cc1 1658371740 MSHOLWBGYHHCGQ-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE CCOC(=O)c1oc2ccc(S(=O)(=O)N(CC)[C@@H](C)c3ccc(C#N)cc3)cc2c1C 1659553085 BXFRDPWMYRRLIS-INIZCTEOSA-N 440.521 4.561 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1 1660837395 LTPUZQYVSMLQAS-UHFFFAOYSA-N 443.341 4.674 30 10 IJEE CC[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 1661200801 GEYIFRVGUAYGOZ-LJQANCHMSA-N 432.446 4.758 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)Oc1ccc(OC)cc1 1662572910 BFHJXZBAPSHVQF-AWEZNQCLSA-N 435.318 4.612 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1667366404 SYIQPOYBEDLHAE-HSZRJFAPSA-N 435.568 4.695 30 10 IJEE Cc1ccc([C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)[C@H](C)S(C)(=O)=O)cc1 1671685824 FGRNGRJARRKHDT-KBXCAEBGSA-N 433.599 4.522 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1cc(C#N)c(F)cc1F 1673962927 HOHFMDHEDHGMFF-KRWDZBQOSA-N 436.256 4.977 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H]2CC3(CCC3)Oc3ccc(Br)cc32)CC1 1677105734 PUJLEAATVIKJFI-LJQANCHMSA-N 448.405 4.535 30 10 IJEE C#C[C@@](C)(CC)NC(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 1677513986 LDKCLTGMWYIPNZ-QHCPKHFHSA-N 427.570 4.605 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1679885267 YDDHNMGTLSUDLL-IBGZPJMESA-N 443.341 4.578 30 10 IJEE C=CCCCCNC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1680314859 ZCENJLKELCDKBZ-LFIBNONCSA-N 442.368 4.685 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br 1684300116 MMCQMLLDVVFNTE-NQIIRXRSSA-N 429.358 4.608 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)cc1 1684811976 FMBJFCSXIPIWRI-SANMLTNESA-N 430.596 4.925 30 10 IJEE CC(C)(C)c1ccc(C2(CNC(=O)N3CCN(c4cnccc4C#N)CC3)CCCC2)cc1 1685814962 GGYHXDPIBPIOIW-UHFFFAOYSA-N 445.611 4.594 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(N(C)C)CCCCC1 1689830687 BRYGCNZLZXGBNH-FQEVSTJZSA-N 430.600 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC[C@H]1CCCCO1 1689839251 FCCAYHYKILAJSO-LEWJYISDSA-N 448.567 4.924 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1689904419 VKMMEVZTXBMPGV-UHFFFAOYSA-N 435.959 4.580 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCN(CC)C1 1690065489 ZMBPMDXWARYJQF-GOSISDBHSA-N 437.588 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690200281 QTFVLUYZPLUQTL-TVZXLZGTSA-N 431.584 4.650 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cccs1 1690238121 FQDPMRAAZZMNNT-YLJYHZDGSA-N 439.541 4.532 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690242971 FYFZMPSRMYTGJL-YOUFYPILSA-N 430.543 4.962 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCc1cc(C(F)(F)F)ccn1 1690262648 IQDIQHUYSYHUTG-UHFFFAOYSA-N 430.478 4.707 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCc2cccs2)CC1 1690289552 HYDSOYZTOXIQMT-UHFFFAOYSA-N 442.032 4.525 30 10 IJEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1690343797 DMMGRDOUKCGVPE-UHFFFAOYSA-N 441.794 4.717 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCCO[C@H](C)C2)CC1 1690402977 XDKDYJOMUGJZPJ-LJQANCHMSA-N 444.023 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)C1 1690418949 CDCKYYFXLYFQCW-RUZDIDTESA-N 439.604 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1(N2CCSCC2)CCCC1 1690517288 ADHOHFWSSPXYLN-UHFFFAOYSA-N 432.037 4.582 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1c(C)sc(C)c1Br 1690591567 QRRYZNUQIZZCOG-UHFFFAOYSA-N 432.391 4.941 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1ccc(N2CCC(C)CC2)nc1 1690605569 PAWWVBXVWFJOOG-UHFFFAOYSA-N 448.615 4.909 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CCc1ccc(Cl)cc1 1690607345 KTMGGMFWSHDBPT-FQEVSTJZSA-N 440.975 4.896 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC(OC(C)(C)C)CC2)nnc1C(C)(C)C 1690685014 UDCNYSQBPNKHDX-UHFFFAOYSA-N 426.605 4.973 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCOC1 1692909687 AKLPJLYTVFNUKV-FUHWJXTLSA-N 436.585 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1705483820 CUTAJRUZEPUYOS-KNQAVFIVSA-N 433.625 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CC1CCC(C(F)(F)F)CC1 1705503417 WMQCUFJOUVKTIZ-VIQWUECVSA-N 434.506 4.992 30 10 IJEE C#CCCCCn1c(N[C@@H](C)[C@H](OC)c2ccccc2Cl)nnc1-c1cccn1C 1705521743 KIIXIRXSKVDEAT-UWJYYQICSA-N 425.964 4.929 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1nc(C(C)(C)C)cs1 1705558207 NEESEHHCEVUBEF-UHFFFAOYSA-N 425.627 4.751 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1CCc1csc(C(C)(C)C)n1 1705617548 YGIZGENZXXVFHM-UHFFFAOYSA-N 435.641 4.910 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCC#N)CC1CC1 1705696715 IGTMNAJJDVNTPZ-TZIWHRDSSA-N 425.964 4.710 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H]1CC 1705753437 AKAGYKWHGASKSW-YJBOKZPZSA-N 438.016 4.770 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1705777980 WSNYYECHMKDWHD-FQRUVTKNSA-N 432.616 4.730 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1CSC 1705799884 JBLFICMKYJPYEJ-HXUWFJFHSA-N 427.618 4.835 30 10 IJEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705807634 JRDCNFGDFCFQNO-RUZDIDTESA-N 436.604 4.514 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)(C)C)CC1 1705827133 VRIGBDSBZQALKT-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1csc([C@H](C)OC)n1 1705836890 JVNIRXXDRLQMRN-GJZGRUSLSA-N 443.642 4.966 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@](C)(OC)C1CC1)C1CC1 1705850602 ABLBXUHSDHTOJN-NRFANRHFSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCO1 1705867019 FXLNZONOGHUCGH-NRFANRHFSA-N 438.597 4.907 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H](SC)C(C)(C)C 1705883048 TWLDOCYJKUHJNB-FQEVSTJZSA-N 439.629 4.910 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC[C@H](OCC)C(C)C 1722284136 ZBKPUYGYBYNREU-CABCVRRESA-N 439.423 4.678 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)c1ncc(C)s1 1722397262 QKKLJOJILJFNFK-QGZVFWFLSA-N 438.000 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CC(c2ccccc2)C1 1722401672 HNWDPDMDSWDXGB-QYYDGCESSA-N 444.623 4.853 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@H](C1CCCCC1)N(C)C 1722421818 ODGBSHLYZRTWTM-XMMPIXPASA-N 437.607 4.835 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC(F)(F)C1 1722421939 PNRFNGGMJZAOPJ-AZUAARDMSA-N 432.490 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(C)(C)C 1722505074 MBLGXXIPHLLAKR-UHFFFAOYSA-N 446.665 4.775 30 10 IJEE C=C(C)COCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C 1722538158 LTDCDJSCADLWJF-NHCUHLMSSA-N 442.608 4.530 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCCC(=O)NC 1722585648 DOVUKVMEZIDDBB-QGZVFWFLSA-N 443.661 4.696 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1CC(F)(F)Br 1722692615 RTNWHPLQQQYGOS-UHFFFAOYSA-N 441.320 4.640 30 10 IJEE Cc1cccc(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@H](C)C#N)n1 1724527541 BHRYBFYBJBAXNO-LJQANCHMSA-N 446.599 4.697 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)CN1CCCC1 1740537953 ASLNXYQDRFXHOG-OALUTQOASA-N 439.673 4.711 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1740748325 DKDWWLBZCKJCEZ-ZDUSSCGKSA-N 440.798 4.871 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1cc(C)on1 1740757499 VULDQBPTWCSIAN-OXJNMPFZSA-N 427.936 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H](C)N(CC)CC 1740770648 ANOHRTCMLKLGQH-KRWDZBQOSA-N 434.426 4.840 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1740781614 QPVCHOOSZAMVPB-VAMGGRTRSA-N 431.625 4.984 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C)(COC)CC1 1740808880 AUZROQKDZOHUOG-UHFFFAOYSA-N 427.936 4.606 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@H]2CCC=CO2)CC1 1740821438 JDUCVUIOAWHGKK-OAQYLSRUSA-N 438.572 4.982 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C(C)(C)C)no2)CC1 1740836013 DXLVZEICBQKDJT-UHFFFAOYSA-N 426.952 4.730 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740901425 PYWAFVSIJADUML-ROUUACIJSA-N 431.575 4.526 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1740912094 REVMBODPXSRKDW-PMACEKPBSA-N 439.623 4.919 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)[C@@H](C)CC 1740925133 KCPVBBQISHODTJ-HRAATJIYSA-N 433.394 4.683 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N(C)Cc1cc(Br)cs1 1741002579 OTCRLRKIYZJMPG-UHFFFAOYSA-N 429.453 4.856 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCCC1 1749058480 KGCBDAZKKNTWBR-ZJSXRUAMSA-N 426.008 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccco1 1749136444 NLQAYCJBLXZQIZ-GBXCKJPGSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1cn[nH]c1 1749147975 VQKQONUBTKZZHS-UHFFFAOYSA-N 433.585 4.745 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1749195668 WTSKAUDPDWLAMG-QFBILLFUSA-N 427.326 4.743 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749393257 PTBCRWKVETXQGG-UHFFFAOYSA-N 440.617 4.544 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO1 1749586044 JVODRVQCJAKENR-DNVJHFABSA-N 438.616 4.611 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1c(C)coc1C 1749590113 PAYLVAJQLVFSOB-UHFFFAOYSA-N 437.569 4.720 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(C)CCCC1 1749592595 QXXXHQJIVFHJJD-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC2(CCC2)C[C@H]1CC 1749627152 GDDDYQNXEWZFRR-RBUKOAKNSA-N 429.609 4.738 30 10 IJEE C=CCn1c(N2CCc3sccc3[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749646427 QVMLLKOSJXXPAP-JZXOWHBKSA-N 443.617 4.810 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)c2ccccn2)C1 1749701125 PMXWAAXMYSBKSL-HXUWFJFHSA-N 437.975 4.753 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnn(CC)c1 1760107677 WLLNXQSJIIGYCB-INIZCTEOSA-N 434.544 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C)o1 1760317387 FKDWYTGBIQSSPH-FXAWDEMLSA-N 427.936 4.513 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1760375994 AQLGLJFHZRQFMQ-KRWDZBQOSA-N 428.886 4.826 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C)OC)CC1 1760398965 UBRCZZTZDCYPKW-CYBMUJFWSA-N 439.785 4.798 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCC[C@H]2C)CC1 1760398997 VJNPASOSGGUQEC-LJQANCHMSA-N 438.576 4.520 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760434573 GCZXTJIWZJKWTL-KDOFPFPSSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCSC1 1760477562 DCTDFMUUCPHZNA-HXUWFJFHSA-N 437.613 4.628 30 10 IJEE C=CCSCCn1c(Nc2ccn(C)n2)nnc1-c1sc(-c2ccccc2)nc1C 1760568668 PEMYVGWUHZSRGK-UHFFFAOYSA-N 437.598 4.773 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@H](F)C1 1760688360 GPSMIEGFVIGWFU-RDBSUJKOSA-N 438.320 4.581 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(C)CCCS2)C1 1761544543 GRTTUFGXMIAPSN-FCHUYYIVSA-N 430.021 4.938 30 10 IJEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCO[C@H]2C(C)(C)C)c1 1770312127 CVSUQGTZXPWVIB-YFVAEKQCSA-N 425.577 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCOC(C)(C)C 1772522831 CDZCZSVHIMJQCH-OAQYLSRUSA-N 449.368 4.654 30 10 IJEE N#Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(OC4CCCC4)cc3)cn2)cc1 1858434983 MNEDCTZWNXWXOC-UHFFFAOYSA-N 434.521 4.819 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1F)c1c(F)cc(F)cc1F 1862463516 IDLAMWNEMCHTJZ-LJQANCHMSA-N 449.331 4.754 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2F)ccc1F 1862502769 INCIEQKHSKTQJI-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862505127 KTKZRLZYQWYOCA-QFIPXVFZSA-N 439.483 4.759 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(CC)cc1 1862524887 PSBCDGSPMCNOLZ-LJQANCHMSA-N 426.310 4.776 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862561840 YAWLICZKZBVJQS-HSZRJFAPSA-N 441.462 4.668 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862598811 ZSAGGCSUGGSRBT-FQQGMQMYSA-N 435.520 4.948 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCCO)cc1 1862652970 NKMCIMMQQYTEPW-XMMPIXPASA-N 445.515 4.589 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1Cl 1862654435 XWJAPRVBYBUQEB-QFIPXVFZSA-N 434.923 4.633 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862670944 FZUFCLLOTPWKLM-IBGZPJMESA-N 429.900 4.776 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1OC 1862674851 VOGREIPZFQKKCO-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862676993 WBRZOIGNAZJSJA-HXUWFJFHSA-N 426.444 4.893 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2Cl)c1 1862700699 MJSLFXQCKDVVHZ-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@H]1c1ccc(F)cc1 1864785287 RVZPOQUVEIBANR-OAQYLSRUSA-N 442.579 4.912 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCCc1cccc(Cl)c1 1868953891 JTDZFASISQULRQ-HSZRJFAPSA-N 442.962 4.730 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(C)C 1869015129 ZEHHPTCCXJSNRT-NHCUHLMSSA-N 449.433 4.920 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccn2)C3=O)c1 1871390759 BSTRTAOISGIYAH-JCMHNJIXSA-N 443.455 4.931 30 10 IJEE COC(=O)c1ccc(Oc2coc3cc(OCc4ccc(C#N)cc4)ccc3c2=O)cc1 1871418152 ZGPSMUVEKYQQSS-UHFFFAOYSA-N 427.412 4.823 30 10 IJEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871430659 NODUUBIRJVITEL-MTJSOVHGSA-N 428.419 4.978 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4)c3C)C2=O)c1 1871459983 OPSXYWCZDHZTJL-UCQKPKSFSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1)S(=O)(=O)C1CC1 1871843506 DWPACBISOPSPGA-HSZRJFAPSA-N 426.582 4.860 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871990078 ULQGEPVOROBSGV-PGRDOPGGSA-N 432.561 4.754 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(-c2ccccc2C)cc1)C(C)C)S(=O)(=O)C1CC1 1872203777 QUCMFWLSKQOSIJ-QHCPKHFHSA-N 426.582 4.605 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872466874 STOQEMNDHAXNRU-IIBYNOLFSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872478797 JFEKBYHKUQRCOV-QFIPXVFZSA-N 428.598 4.850 30 10 IJEE Cc1cc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)ccc1F 1872772000 HRVGMZRHKLWEQP-CQSZACIVSA-N 440.412 4.873 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCc2ccc(OC)cc2)C1=O 1873161626 PMPHFCYBSNWXLI-UHFFFAOYSA-N 434.580 4.968 30 10 IJEE N#Cc1ccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3ccccn3)C2=O)cc1 1873285792 QGSBZQGIMCCJIJ-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(CC)cc1 1874210867 FLIOMMKCZLZAEA-SYOQMXFQSA-N 445.592 4.517 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(F)cc1 1874222553 VZZUBAAXSMHGAA-LFVJCYFKSA-N 428.533 4.822 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(O)cc1O 1874252716 WAPCJDZWYMKSQI-ZVHZXABRSA-N 438.553 4.560 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3cc(F)ccc3F)nnc2SC)cc1OCC 1874259831 VAGSCCBSQXRQTI-WYMPLXKRSA-N 448.495 4.537 30 10 IJEE OCCCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1c[nH]c2ccccc12 1874271035 AVPQNPSUNKGCHR-WPWMEQJKSA-N 441.560 4.860 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1F 1874440030 FXTRNLMIOXHRPO-BUVRLJJBSA-N 433.597 4.629 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)cc1O 1874445723 JJUKQMYHWUWLTI-HLQTZPMBSA-N 438.553 4.635 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccnc2)cc1 1874452895 TVSUBLCYTAFMTF-MFKUBSTISA-N 434.569 4.506 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccccc1OC(C)C 1874506921 BYTJDVRSKMWWNF-YDZHTSKRSA-N 442.541 4.572 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CC2)cc1 1874522871 PMTRCVRASIMZFH-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCC(=O)NCc1ccco1 1874614072 BXPRDQCFNYDMBW-MDZDMXLPSA-N 425.868 4.533 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)c1 1874620444 AMZKHTHRHBRQBM-YRNVUSSQSA-N 443.499 4.988 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1875085234 WEDSUEABRZMTDE-VGOFMYFVSA-N 431.400 4.635 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(C)=O)c(Br)c2)cc1Cl 1875174297 JXWGGGKRPCRASC-GQCTYLIASA-N 439.689 4.941 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 1950332809 QTPOQGLOVJMFKN-RPBOFIJWSA-N 427.589 4.597 30 10 IJEE CC[C@@H]1CC[C@@H](C#N)[C@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1974789336 BDPQMMPMTMCCPD-RWQNTZCISA-N 432.520 4.944 30 10 IJEE N#Cc1cc(Br)cc(NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)c1 2026166251 IMQMMRHBVHQACC-OBXNSHGQSA-N 426.314 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1O)c1ccc(Cl)cc1 2033813386 AAKRSCNFMAKOQI-LJQANCHMSA-N 441.892 4.591 30 10 IJEE C[C@@H]1C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@@](C#N)(NC2CC2)C1 2055014969 KCJQCRMJIKLFHD-QPVYNBJUSA-N 430.640 4.824 30 10 IJEE C=CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)c(N)c1F 2065841682 OTFBBYHMLAKMLY-UHFFFAOYSA-N 447.757 4.591 30 10 IJEE CCc1nn([C@H](c2ccc(C3CC3)cc2)C(C)C)c(I)c1/C=N/O 2079004143 MIEQCUBTXLWAEB-NIQDBXHUSA-N 437.325 4.981 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@@H](NC(=O)OC(C)(C)C)COC2(C)C)c1 2081890267 OAURZLRIZVSHKP-MHECFPHRSA-N 445.560 4.701 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)C(C)(C)C1 2106118434 ZSGOZUFXWGRWQM-MRXNPFEDSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CNc1cc(Br)cc(F)c1C#N 2107438305 JTIDTORYIBJGAH-BLLLJJGKSA-N 426.330 4.955 30 10 IJEE C=CCC1(NC(=O)c2scc(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2118140486 CNDZXQKSBAXQOF-UHFFFAOYSA-N 443.407 4.895 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2ncc(Br)cc2C#N)CC1 2162397117 DDLZZFMCGSZMIG-INIZCTEOSA-N 435.366 4.697 30 10 IJEE Cc1cc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)ncc1B1OC(C)(C)C(C)(C)O1 2190480143 ZALPJISHSBDEEG-JVNMPXIPSA-N 448.416 4.509 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1ccc(Br)c(OC)c1 2192140541 UHQRMMSFVYRWRK-YADHBBJMSA-N 434.374 4.632 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)C#Cc1ccc(Cl)cc1 2212453372 SNQZZMBMJYLUFQ-NRFANRHFSA-N 427.928 4.761 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCc2sc(C)c(C)c2Br)C1 2229406916 YVVPTMDFDZNHBT-UHFFFAOYSA-N 443.407 4.605 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CCC1(C)C 2231340066 IHNWTAFIBPYQQN-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C1CCC(CNC(=O)OC(C)(C)C)CC1 2235720078 BRTUMUYVIQBLNU-OUNSHVDWSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CN(CC1CC1)C(=O)OC(C)(C)C 2235723178 DTAKSDPXJUQPEZ-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@]12C[C@H](CN1C(=O)OC(C)(C)C)C2 2235724596 MJYLAYWYPGAONZ-XWFZLUIHSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](N)C#Cc3ccccc3Br)CCCC[C@@H]12 2235725345 WOOCRJMAIGJNGY-JQVVWYNYSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2ccccc2Br)c2ccccc21 2235740567 PORBFEOXHAERQT-XLIONFOSSA-N 428.326 4.700 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC[C@@H](N)C#Cc2ccccc2Br)C1 2235747547 QTMBVNVSWCJFLX-BHIYHBOVSA-N 435.406 4.992 30 10 IJEE C=CCCC1(C(=O)c2nc(C(C)C)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2266237787 FHZKQXKFWMOOBO-UHFFFAOYSA-N 426.355 4.682 30 10 IJEE C=CCCC1(C(=O)Cc2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266238700 OOBIMRWLDJIURZ-UHFFFAOYSA-N 426.326 4.903 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cc(Cl)c(C)cc2Br)C1 2266486116 SFRLSFOXNLJESH-UHFFFAOYSA-N 441.753 4.656 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1 2266709804 NGNRSJIZKPCUJG-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CC1(C)OB(c2cccc(F)c2C(=O)Nc2ccc(OCc3ccccc3)cc2)OC1(C)C 2282463630 CBYDAJVSNMWWJT-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@H](O)C#Cc1ccccc1Br)C2 2289297193 RFTGOUBDXCEWPP-IAPKMXHRSA-N 434.374 4.635 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)C(F)F 2296267663 WAQPZXBPARORFB-WBVHZDCISA-N 445.348 4.575 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2296267966 YUOVFBSJTLNSER-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 2296291022 KDHURNKWMKXJTD-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@@H](N)C#Cc1ccc(Br)cc1)C2 2296301036 QARXOHMXKOLSHF-IBGZPJMESA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@H](N)C#Cc1ccc(Br)cc1 2296304422 HEBXOVUUJGGGRR-MJGOQNOKSA-N 447.398 4.724 30 10 IJEE O=C1C(=Cc2ccc(N3CCOCC3)cc2)CCCC1=Cc1ccc(N2CCOCC2)cc1 2296887588 XFUXWMFNOXVYNL-UHFFFAOYSA-N 444.575 4.580 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C=Cc2ccc(OCC)cc2)c(C(=O)OCC)c1C 2318394194 SIDUEXAUMOTJLM-UHFFFAOYSA-N 443.521 4.627 30 10 IJEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n(N=Cc2cccc3[nH]ccc23)c1=O 2321647116 VIDYYQXAYIOGQF-UHFFFAOYSA-N 431.565 4.900 30 10 IJEE Cc1cccc(OCCCc2nnc(S)n2N=Cc2ccc(Br)cc2)c1 2322172155 JJGMVUHDBDCSKC-UHFFFAOYSA-N 431.359 4.532 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(C)ccc1C 2322615684 JVYYFXZMWGEOSK-UHFFFAOYSA-N 430.342 4.867 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2322799243 ISBCNSDEPMAQMP-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE Cc1cc(OC(=O)C2CCC2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2322819372 BFVNJWBFVIGYMM-UHFFFAOYSA-N 426.852 4.837 30 10 IJEE O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2322894455 WLKALFVBQFNQFP-UHFFFAOYSA-N 434.831 4.833 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc3C2=O)cc1 2323150850 NUWGHEKCIQWQOK-UHFFFAOYSA-N 431.400 4.829 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1OC 2323438280 NBDBJGNKVSTRGO-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(OC)cc3OC)ccc2C1=O 2323767513 IDRCJFLNMRIPQG-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE CCOc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2324505050 WTVFIFSCWZOCHZ-LJQANCHMSA-N 432.501 4.870 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2cccc(Br)c2)cc1OCC 2325648533 WYABFMURYUVPHG-UHFFFAOYSA-N 432.314 4.858 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 2326350242 FJKSGDCLFAOEEP-UHFFFAOYSA-N 431.905 4.721 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cccc([N+](=O)[O-])c1 2326379845 LYPUIGHZXXQSJF-UHFFFAOYSA-N 439.541 4.809 30 10 IJEE CCCOc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCC)cc1 2328515202 UOBHRXYPYNGYPA-UHFFFAOYSA-N 439.541 4.950 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328796751 GIDBLGDTJWFYLV-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2cccnc2)c(C)c1 2330616434 DGRJJMCOUJVHPM-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1OC 2330620473 QVNVKYBVQXLGCO-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cn(C)c2ccccc12 2330879183 PNJBDCBCQYYKPI-UHFFFAOYSA-N 441.601 4.532 30 10 IJEE CCCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2330979775 OETWGILUBQFNFA-FQEVSTJZSA-N 436.537 4.733 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc(F)cc1 2331405161 YBQJIADWHYASLU-UHFFFAOYSA-N 434.419 4.721 30 10 IJEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1cc(Br)c(O)c(OC)c1 2331451256 IIFRGTDNGUFFKI-UHFFFAOYSA-N 439.379 4.504 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1cccc(Cl)c1 2331468125 AIAITGRLWNKYMI-UHFFFAOYSA-N 436.025 4.753 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1O 2339462092 CWWICLOJDMZDSC-UHFFFAOYSA-N 441.352 4.519 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C)CCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578732 LGSHZJMBUBBBEM-ZOBSEURRSA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@@H](O)C#Cc1cccc(Br)c1 2363477317 OYPFCUKAAVYVGD-MOPGFXCFSA-N 436.390 4.977 30 10 IJEE Cc1cc(CNCc2scc(C)c2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369676393 WJQWPPVOKZPFSG-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 12493128 NDDWIKCKOCIREK-OEAKJJBVSA-N 443.912 4.820 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccc(C)cc1 35444696 ILGBBSWLVIEAEP-SEPOPDPSSA-N 432.564 4.705 30 10 IJEE C=CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C2CCCCCC2)n1 59311275 SVRHKKPHUKMMEI-UHFFFAOYSA-N 430.603 4.936 30 10 IJEE O=C(O)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 101133144 KSOAYVCTADGYLF-BJYWAJGPSA-N 444.468 4.892 30 10 IJEE CCOC(=O)c1sc(N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)nc1C 169943451 ALMAMJLPTFIGSY-QRVIBDJDSA-N 425.510 4.662 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(N(C)C)cc1 169956721 OEUWHXATMJJQHN-QHCPKHFHSA-N 434.536 4.672 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccnc2)cc1 170002891 WADLGKCFGXJOGT-HSZRJFAPSA-N 442.471 4.717 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@H]2c2ccncc2)cc1 170018994 XAFLIWHGHWVQSZ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1)c1ccc2c(c1)CCO2 170092673 CINSRCJDYNXUMG-HXUWFJFHSA-N 439.826 4.790 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)ccc2O1 170131805 QTQLIWFWSPFAAD-QKFKETGDSA-N 445.446 4.638 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2cccs2)c1 170156587 PYSNJIVRHDXJMV-JOCHJYFZSA-N 446.528 4.668 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)ccc1Cl 170157173 QSRILYVOILYUEC-IBGZPJMESA-N 441.892 4.899 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)cc1C 170162211 VGZHJRNEYLKJDZ-DYESRHJHSA-N 441.549 4.603 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccccc1 170233521 BWSSABHHZAYYAS-QHCPKHFHSA-N 437.536 4.867 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 170237488 VCZXVYGOPCWGNH-JLCFBVMHSA-N 449.503 4.989 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1F 170251775 KOPAMFJOCFBMJW-NRFANRHFSA-N 427.447 4.884 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)cc1 170259255 VQEPCFVFMZPDDV-QHCPKHFHSA-N 429.472 4.962 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(C)o1 170306022 JLKZDSKRCJVMOI-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccncc1)c1ccccc1 170359243 OKRDQZRZTHAQDD-LJQANCHMSA-N 435.277 4.627 30 10 IJEE C=CCn1c(C(=O)NCCCn2ncc3ccc(C)cc32)cc2oc(Br)cc21 223721663 WMYPDZUUZNAVMB-UHFFFAOYSA-N 441.329 4.661 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 406956603 IFDXRLGUUXZEJA-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE COc1ccc([C@H](NC(=O)c2sccc2C#N)c2ccccc2)cc1Br 485349040 INTHOUNTJZMTPO-GOSISDBHSA-N 427.323 4.910 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 494517527 ZPUYWHIWDMZIHH-ZHRRBRCNSA-N 428.916 4.669 30 10 IJEE C=CCn1c(N2CC[C@H](COCc3ccccc3)C2)nnc1C(F)(F)Oc1ccccc1 508939011 PLXKRQWLMRSZHB-FQEVSTJZSA-N 440.494 4.636 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 520531610 SRJKMVHBYOYZMQ-UHFFFAOYSA-N 428.448 4.520 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc2)cs1 526110636 DZRPFEDWOQNZDV-UHFFFAOYSA-N 447.564 4.575 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526514879 HSHCLOAGUQSVAF-XMMPIXPASA-N 425.488 4.690 30 10 IJEE COc1cc(OC)c([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526518064 WNINHUXBILSREP-QFIPXVFZSA-N 448.500 4.703 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccnc2)c1OC 526608518 FZPQMNWKMFNOPR-NRFANRHFSA-N 447.878 4.681 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C#N)c2)=C(SCc2ccco2)C1=O 526667978 NFECCDSCIGRATN-UHFFFAOYSA-N 445.500 4.599 30 10 IJEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 549290512 CNIGHKQWXLHTLE-LJQANCHMSA-N 443.473 4.821 30 10 IJEE C=CCC1([C@@H](Cc2ccc(F)c(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 722924503 ZNRMMAFVMUFTGU-GOSISDBHSA-N 441.385 4.922 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 728518163 CXVMWSFLVWMPBO-FQEVSTJZSA-N 435.524 4.870 30 10 IJEE Cc1oc(NC(=O)COC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c(C#N)c1C 732586250 HEHIPNSBQIEKQY-YADHBBJMSA-N 444.487 4.633 30 10 IJEE C=CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1ccncc1 734461199 XALGTGIDQJWIFL-NTOIIUQRSA-N 433.533 4.541 30 10 IJEE CC1(C)C/C(=C/c2ccc(-n3cncn3)cc2)C(=O)/C(=C/c2ccc(-n3cncn3)cc2)C1 736434890 YQYQBRHFGZIZSW-ZCJKAFFOSA-N 436.519 4.704 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 741569140 YGYHANRAYCUZLC-SIKLNZKXSA-N 430.470 4.530 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 744029318 QQQLFNIKXWXVRF-OAQYLSRUSA-N 433.552 4.548 30 10 IJEE N#C[C@H](C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787064366 NFEPSQQXGIQJPD-YBNHLDJLSA-N 449.463 4.501 30 10 IJEE C#CCOc1ccccc1-c1noc([C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)n1 809397339 OGVPMCORMOLCKX-IBGZPJMESA-N 437.471 4.544 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccccc2F)n[nH]1)c1ccc2ccccc2c1 1084411507 PEYRYJZHEMHZIN-UHFFFAOYSA-N 434.500 4.664 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)C1 1116550615 FWNKXAIATKHNGY-MRXNPFEDSA-N 449.866 4.666 30 10 IJEE C=C[C@H]1CCCCN1C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 1128495360 MAVYLSYUJVHLFY-FQEVSTJZSA-N 427.342 4.811 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)c1 1134627099 XKRUFHPWCIVZGA-UHFFFAOYSA-N 436.533 4.806 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)CCCC1(C)C 1139512158 YUZRITZUVLJOFO-MHTWAQMVSA-N 434.621 4.774 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2csc(NC3(C)CCCC3)n2)cc1 1142298748 ROSBQHGYCPVXPM-UHFFFAOYSA-N 438.597 4.883 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc2c1=O 1164557221 ZMJXDXFZHJEPQT-SFHVURJKSA-N 435.593 4.751 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3sc(C)c(C)c3c(=O)n2-c2cccc(C)c2C)C1=O 1188269311 SDRIIJDOOOBRRW-GOSISDBHSA-N 439.606 4.560 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1F 1197488269 GRJFEOWNFTVCCX-OAHLLOKOSA-N 428.632 4.580 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 1200403458 ZRCNQQCDTSTFCT-OAQYLSRUSA-N 441.572 4.780 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)cc1 1204605315 YVRWKGRUPBVYBM-UHFFFAOYSA-N 443.219 4.681 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n12 1218617552 PYBNAWIJZQBDRP-UHFFFAOYSA-N 446.898 4.718 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCCc3cc(Cl)cc(Cl)c3)CC2)c(Cl)c1 1221578454 DWYMZUPINVEKRJ-UHFFFAOYSA-N 437.758 4.593 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)c1ccccc1 1230489168 LNWVRTTZWDISBW-BVAGGSTKSA-N 426.516 4.735 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)C1 1248676592 PNVFRVRHXPIWMW-GOSISDBHSA-N 429.923 4.510 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)nn1 1264530865 YTLPXBUOTAKZGW-UHFFFAOYSA-N 447.392 4.517 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 1264606925 GEOCPBASXSDSQK-DEOSSOPVSA-N 429.495 4.840 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1286318307 NCWFVPFMJUGOQE-RBUKOAKNSA-N 426.586 4.588 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCC(C)(C)C)CC1 1286321045 KLPCRBGMVKBWQK-UHFFFAOYSA-N 446.643 4.799 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cnn(CC(C)C)c1C 1286366153 VSJNAKPHWMLXTE-UHFFFAOYSA-N 436.629 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1CCCN(CCC)CCC 1286520530 NWBRBXNBNIWFIE-HHHXNRCGSA-N 444.627 4.998 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@](C)(O)c1ccsc1 1286568295 SJAMFCYFFRVDHM-HXOBKFHXSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@H](O)C1 1286569488 RPXFDLSDWLLDBG-HKUYNNGSSA-N 447.421 4.970 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCc1cccs1 1286593880 VGSNUEQPNARVJU-UHFFFAOYSA-N 445.633 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1286666904 HBXFQSKOJMDCEO-UHFFFAOYSA-N 440.588 4.678 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCCCC2)CC1 1286689080 IVPNJFGUPVORNQ-UHFFFAOYSA-N 443.586 4.958 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1286710469 XVADTMXXCZKSPI-OAQYLSRUSA-N 448.970 4.899 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1scnc1C 1286730131 BJJMLGGNQUXKRA-UHFFFAOYSA-N 438.384 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1Cc1cccnc1-n1cccn1 1286748771 ARYCVULZARGUSH-UHFFFAOYSA-N 447.612 4.750 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1286769551 ABNCELXJXQYUHO-OALUTQOASA-N 445.558 4.823 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1286826289 CWTDJCUJYNZUNU-QGZVFWFLSA-N 427.574 4.789 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1286835284 RNFHDYXYJWSFQI-MOPGFXCFSA-N 430.593 4.932 30 10 IJEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCC1CCCC1 1290542363 GPSNNVWEGZRKDY-UHFFFAOYSA-N 431.588 4.774 30 10 IJEE CN(C)C(=O)C[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)c2ccc(Cl)cc21 1293783464 GQZPWQSBGDIYQP-GFCCVEGCSA-N 436.726 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1nc(C)cs1 1300275131 QHMFVUJINNPGLI-HYVNUMGLSA-N 427.549 4.584 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCC[C@@H]21 1300362986 WAHPHRHKEFPTGJ-CTNGQTDRSA-N 441.620 4.575 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1300386643 SBRRAOMFGDTYPQ-OAQYLSRUSA-N 440.035 4.960 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC=CCC1 1300521300 NRWKBIIVDPXSKB-OAQYLSRUSA-N 426.520 4.546 30 10 IJEE C=C(Br)Cn1c(N2CCO[C@@](C)(CC)C2)nnc1C1(c2ccccc2)CCC1 1300862768 DSIGIKHBIYFRTQ-NRFANRHFSA-N 445.405 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1300919027 QTCXCQCCSBGMTD-MRXNPFEDSA-N 427.643 4.962 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1300944557 WWGAFOFYSQDADO-YLJYHZDGSA-N 443.567 4.790 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301054968 CNTCNGGXABMNKL-HOTGVXAUSA-N 439.412 4.839 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1c(CC)noc1C 1301350801 AEOVUQGPYSDSFU-QFIPXVFZSA-N 439.535 4.759 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CCc1nc(C(C)(C)C)cs1 1302126477 BRZPZIJCTOQZQE-UHFFFAOYSA-N 428.650 4.993 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS2)cc1 1303094096 CZLBWHXIGPUUIS-NZQKXSOJSA-N 443.592 4.708 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)c1 1304105389 BFBVLUBIJZGHBC-UHFFFAOYSA-N 428.513 4.884 30 10 IJEE C=C(C)[C@@H](CO)Sc1nnc2n(-c3ccc([C@H](C)CC)cc3)c(=O)c3ccccc3n12 1307268190 UYVIOOGFKIKOGA-IIBYNOLFSA-N 434.565 4.576 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1 1309201680 SZIWGGBCKHIACH-UHFFFAOYSA-N 437.483 4.506 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(Br)ccc1OC)c1ccc(Cl)cc1F 1312938539 WLMARLRHNAAAEC-KRWDZBQOSA-N 439.712 4.766 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H]2CCOC2)C1 1321324691 HHUOKELSVAEENO-HOTGVXAUSA-N 444.988 4.631 30 10 IJEE CO[C@@H]1CC[C@@H](N2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)SC2=Nc2ccccc2)C1 1321764920 XTTULRIDKMXMPW-NJDAHSKKSA-N 437.565 4.523 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1coc(S(C)(=O)=O)c1)c1ccc(C)c(C)c1 1348843631 ZTKBUODFGXYZDY-UHFFFAOYSA-N 439.533 4.712 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C(\C)c2ccc(F)cc2)c(C(=O)OCC)c1C 1349734588 QOJGXDNHUYUFGP-OUKQBFOZSA-N 431.485 4.757 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)c3sccc3C)cc2C1=O 1353455719 FFVBCLTWFQLJTA-OAQYLSRUSA-N 430.529 4.552 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c(C(=O)OCC)c1C 1355007252 CRUJXRAHQHRNRT-IAOVAPTHSA-N 427.522 4.564 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCc2ccc(Br)cc2F)n1 1357551302 AOGHVEIPKUTYDK-UHFFFAOYSA-N 447.695 4.870 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ncc(Cl)n1C 1358920732 GTFHCZKMAIGREI-HNNXBMFYSA-N 447.370 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)N1CCCCCC1 1359064997 FUDAGCXJAJSLLL-WNCULLNHSA-N 447.627 4.605 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC1CC(F)(F)C1 1359079716 TVRGTGKBUQFNSA-UHFFFAOYSA-N 425.321 4.898 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCCCCC1 1359095519 PFBLEFYJKRXINS-OFNKIYASSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1359168038 GANCKBLYYPELNO-HSZRJFAPSA-N 437.632 4.690 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1359203003 GPEHYCAIXOHOPR-CYFREDJKSA-N 447.624 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1C[C@@]1(C)OCCc2sccc21 1359272798 CGHQHYKUFMMHJL-RUZDIDTESA-N 434.609 4.905 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359345409 FHUFJOQAOCKXDC-SJLPKXTDSA-N 449.546 4.835 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc2c(cc1OCC)C[C@@H](C)O2 1435013308 HCKLIHJHAQCDDA-CQSZACIVSA-N 435.442 4.922 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1ccccc1OC)[C@H]1CCOc2ccc(Br)cc21 1435174089 DISQZLQGBPTBSO-HZMYXVCSSA-N 440.337 4.847 30 10 IJEE Cn1ncc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1Br 1437067565 AABWBDRYMXEYHZ-UHFFFAOYSA-N 448.136 4.724 30 10 IJEE C#Cc1ccc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 1439960179 CEMRSUMVJFFVRR-UHFFFAOYSA-N 433.305 4.864 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)NC[C@H](Cc3ccccc3)c3ccccn3)o2)cc1 1440180749 GITIWFQNHFXRRV-QFIPXVFZSA-N 437.499 4.882 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)cc1 1440520208 WICJESVNENUDOC-KRWDZBQOSA-N 425.367 4.657 30 10 IJEE COc1ccc2ncc(C#N)c(OCc3csc(N(C(C)=O)c4ccccc4F)n3)c2c1 1459146618 GVUFGEZVZHCRCL-UHFFFAOYSA-N 448.479 4.974 30 10 IJEE C=CC[C@H]1N(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CCCC1(C)C 1460028915 JVEYWUBWUGXVDW-HXUWFJFHSA-N 439.522 4.547 30 10 IJEE CC(C)c1nn(-c2ccc(Br)cc2)cc1CNc1n[nH]c(C2CC2)c1C#N 1461568948 CPKJOPQNQDSHNZ-UHFFFAOYSA-N 425.334 4.842 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1 1464256685 RXMKNWZMWNJYIW-LJQANCHMSA-N 436.618 4.509 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CC1(O)CCCCC1)c1ccc2c(c1)OCCO2 1464957643 MYBXKXLYRFRATI-UHFFFAOYSA-N 437.536 4.641 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1c1nccn1CC 1466816957 RGKSUHAYAVRXOK-QGZVFWFLSA-N 433.350 4.989 30 10 IJEE N#Cc1ccc(OCC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1Br 1467260550 DHWDSCQXCLNUCN-VWPQPMDRSA-N 439.353 4.884 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](c3c(F)cccc3Cl)N3CCCC3)cc2n1 1467353234 JLFUYUNNZXELLQ-OAQYLSRUSA-N 441.938 4.973 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(C)cc1Br)C[C@H]1CCCO1)c1ccccc1 1470662581 JCKWPZMGEKDHLO-IRLDBZIGSA-N 441.369 4.823 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 1471679623 HSGCYHCUFLJZOK-UHFFFAOYSA-N 436.443 4.629 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc3nc(C)oc3c2)c1 1474779774 CCMGNRPGBVVCIR-UHFFFAOYSA-N 449.484 4.700 30 10 IJEE CC[C@@H](CN(C)S(=O)(=O)c1c(F)cc(C#N)cc1F)Oc1ccc(Cl)c(Cl)c1 1475202642 GGAOBMCFGRCHAM-LBPRGKRZSA-N 449.306 4.621 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1nc2c(s1)CCC[C@H]2C(=O)OCC)c1ccc(F)c(F)c1 1476674568 YODKFPZWIDMORR-DYVFJYSZSA-N 435.496 4.843 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1478806212 PHEIVLMUQLEEPZ-PKTZIBPZSA-N 441.616 4.995 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1507557998 VBWGXBLYASHLQT-NLFFAJNJSA-N 435.572 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H](OC)C(C)C 1507762319 SHRYPIDNVIMJCE-GHTZIAJQSA-N 449.368 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1Cc1csc([C@@H](C)OC)n1 1507814736 DKCMXZSSKNDZRO-MRXNPFEDSA-N 429.565 4.623 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(F)F)C1 1507838412 BUMMQTQJNMOLGV-INIZCTEOSA-N 442.457 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1507916862 VHPZSTBGOMFMIB-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1SCCc2ccccc21 1507928022 BSBUFKDVXYQIPV-IFMALSPDSA-N 426.630 4.995 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1507940848 FDFPQFIZWYPDBU-UHFFFAOYSA-N 440.588 4.644 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1507943388 XVEDECOFXINNFR-OAQYLSRUSA-N 438.551 4.600 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(C)C)N1CCCC1 1508008781 TWIHOBSBVBJSOP-IRLDBZIGSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)c1cccs1 1508018316 RHOWNUIOASSUEB-UHFFFAOYSA-N 446.580 4.812 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@H]1CCCO1 1508151487 XFEPMYCRODVCGL-FUHWJXTLSA-N 432.659 4.666 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1508151545 YAGBVPCZGUJURO-QGZVFWFLSA-N 448.017 4.552 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1508158992 JFKASWLYESVPQA-QGZVFWFLSA-N 447.674 4.797 30 10 IJEE C[C@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCCCC2)CCO1 1512013227 ARSXNWKKMNYVCH-VQTJNVASSA-N 437.588 4.703 30 10 IJEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCCC1 1519205375 AYKXBVQNURPWJE-UHFFFAOYSA-N 436.512 4.769 30 10 IJEE N#Cc1ccc(SCC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)cc1 1520197512 BXRNJJSMNWGRRW-UHFFFAOYSA-N 431.233 4.950 30 10 IJEE C=CCC[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)c1ccccc1 1521614522 DFRSIXFIOCZUOV-XSLGSPGOSA-N 438.524 4.728 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 1521711773 BYTSSGMDGBOBJJ-JOCHJYFZSA-N 427.895 4.871 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](Oc1ccc(F)cc1Br)c1ccccc1 1524517108 XLXVVJZXXCURNM-CZAAIQMYSA-N 448.332 4.806 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c1 1532514368 BONHKZNGKXQZGG-UHFFFAOYSA-N 443.894 4.683 30 10 IJEE C#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)c1ccc(Br)cc1 1535483700 QEUNGFQAXQRZDZ-QGZVFWFLSA-N 433.327 4.962 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](C)c1ccc(I)cc1)c1ccccc1 1537453317 WDRPXXWIBXBXPW-QKFKETGDSA-N 439.318 4.634 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1cc(Cl)ccc1Cl 1537886440 GWUXDTBYVWJGSA-AAEUAGOBSA-N 436.726 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCOc1ccc(Cl)cn1 1539541157 AZDSMPOBZMIRAO-JOCHJYFZSA-N 442.350 4.718 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1539671257 ILJZMMOPSUUFLN-HXUWFJFHSA-N 427.612 4.921 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2CCOCC2)CC1 1539873743 CJLFJTKEFQMZPI-QGZVFWFLSA-N 430.980 4.901 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1539882526 NMOJYPKIFZCOPS-SFHVURJKSA-N 443.020 4.760 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[C@@H]2CCCCO2)CC1 1539882668 TUCFPDYHJWGXQH-FQEVSTJZSA-N 440.588 4.714 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2CCC(OC)CC2)CC1 1539895822 AKWUZBWYWWRJRJ-UHFFFAOYSA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539921479 XSGMLEVOQQWPQF-QFIPXVFZSA-N 437.632 4.521 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(O)CCCC1(C)C 1540084520 WAVDAHLBFOCTHE-XMMPIXPASA-N 447.023 4.815 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H](C)c1nccs1 1540119977 NVOCTXFYSUFZBV-SFHVURJKSA-N 448.596 4.745 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1540122189 RKWDTKLXIPBJSW-LEWJYISDSA-N 432.616 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C/C=C/CC 1540140316 MSIKKQZXFVAMNH-VOTSOKGWSA-N 442.610 4.569 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=C)Cl)C1 1540895377 QPVIVTCAFHSYNG-LJQANCHMSA-N 430.980 4.823 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)C[C@H](C)C#N)cn1 1542383732 GQJXQYDTGIJSBF-LJQANCHMSA-N 432.572 4.718 30 10 IJEE CC[C@](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)(C(=O)OC)c1ccccc1 1562281502 HLVCTXNJQBTRJT-AREMUKBSSA-N 443.503 4.993 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 1562953060 APRMTDTUPRIITH-MOPGFXCFSA-N 440.956 4.638 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)cc2n1 1563300489 NPSUVGHIGGUAHD-XMMPIXPASA-N 433.556 4.580 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)c1ncc(C)s1 1588281113 YPLGRJHEUZLKQV-AWEZNQCLSA-N 431.512 4.575 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(C)s1 1589077800 AMKPFGDJJCLDRB-UHFFFAOYSA-N 431.030 4.895 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCSC[C@H]1C 1589506457 WLMHGEGBNZHKNF-CLCXKQKWSA-N 436.984 4.661 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1csc(CC)n1 1589515778 RVJRJGBFUOUFSI-PGRDOPGGSA-N 437.613 4.890 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(OC)cc1 1589609407 XGTJQFHTVRABFU-UHFFFAOYSA-N 444.377 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(C)OCCc2sccc21 1589626049 RTXLNQANMLJSEL-DEOSSOPVSA-N 438.597 4.906 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 1594077876 VMIOZHAUAPTGQT-UHFFFAOYSA-N 443.473 4.624 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2ccc(Cl)s2)CC1 1594128765 VHPPISULZMSQFB-UHFFFAOYSA-N 444.988 4.980 30 10 IJEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1594767724 ZKRPIOFNYHDOQF-IBGZPJMESA-N 428.577 4.616 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 1595044347 UIZUNAKHVDGITR-UHFFFAOYSA-N 429.446 4.636 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](C)c1nccs1 1595233950 AJBAMMTUVRZLOR-LJQANCHMSA-N 430.581 4.835 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H](CC)Oc2ccccc2F)C1 1595723171 SMEOGMZGCLNZHR-UXHICEINSA-N 428.552 4.714 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1595849934 HHANIPDIUDXGQE-SJORKVTESA-N 446.617 4.515 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1595884240 IILNLJJENOCXRE-GMAHTHKFSA-N 439.673 4.844 30 10 IJEE CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)COc2cccc(Br)c2C#N)C1 1596819209 BKMASWRRKMOLLZ-INIZCTEOSA-N 427.342 4.951 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc4c(OC)ccc(Br)c4[nH]3)cc2n1 1597380840 CLSJJVQNRWKWNP-UHFFFAOYSA-N 425.286 4.727 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@H](c1ccccc1F)C1CCCC1 1621899032 FISLQFPZPTXRRT-IBGZPJMESA-N 437.334 4.670 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(CCc4ccc(OC)cc4)CC3)n[nH]2)c1C 1624760526 XARQOUBKEQLOOD-UHFFFAOYSA-N 447.583 4.570 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)c1 1625564853 XIQYMCQCDLJWPR-UHFFFAOYSA-N 436.533 4.921 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H]2CC)c1 1625725257 KQURICMMINVESM-HTAPYJJXSA-N 447.000 4.982 30 10 IJEE C#C[C@@H](NC(=O)NCCc1ccc(OCCCC)cc1)c1ccc(Br)cc1 1629157551 BCBPNGVDMGSCOA-OAQYLSRUSA-N 429.358 4.844 30 10 IJEE CCC[C@@H](C(=O)N(C)C[C@H](C)C#N)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1630846913 HLQJHPGDWZSPAP-KOSHJBKYSA-N 433.552 4.654 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCc3c(Br)ccc(F)c3C2)c(Cl)c1 1632516961 IEIWSJGWDMPLTL-UHFFFAOYSA-N 428.088 4.965 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1634029717 HOZGPECXLBHGKC-AHRSYUTCSA-N 448.405 4.687 30 10 IJEE CC(C)[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccc(C(C)(C)C)cc1 1634632700 DAJOGLNJAHOUMA-QFIPXVFZSA-N 449.599 4.950 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 1636821617 SNSNNDSFGDEQLY-XMMPIXPASA-N 448.588 4.911 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1636927852 UOUOFVRXFXTZQI-NHCUHLMSSA-N 430.470 4.878 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 1646494662 RXCICNKABIJNJW-HNNXBMFYSA-N 425.337 4.585 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)cc1OC 1648199019 QJGYPYDUHQEQMU-HVVJSTHDSA-N 446.591 4.644 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)NCC1(c2cccc(Br)c2)CCCCC1 1654406185 CFVOWZYKBVCNOL-UHFFFAOYSA-N 447.398 4.810 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(Br)c(F)cc1C 1655025388 MALXNXJGEKMHEE-UHFFFAOYSA-N 428.323 4.595 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1 1659142290 GVVVFJXKPYQMGV-KRWDZBQOSA-N 427.342 4.915 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1662091828 KJWUZMNPGNBIBL-UHFFFAOYSA-N 441.329 4.864 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1)c1ccc(F)c(F)c1 1668689739 QXALYRFUSRIZSW-HXUWFJFHSA-N 449.475 4.792 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C)c1ccc(Cl)cc1F 1669152908 PSWSBVMOTNOYIW-FQEVSTJZSA-N 426.900 4.777 30 10 IJEE COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C2 1669357979 AMGTXDJYVGBWLE-UHFFFAOYSA-N 435.402 4.671 30 10 IJEE Cc1noc(C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)C2)n1 1669489301 AVPBJRYXPRBVQB-INIZCTEOSA-N 435.459 4.668 30 10 IJEE C#CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@@H]1CCCc2ccccc21 1672653587 WVOXVMWHBIKNNI-AREMUKBSSA-N 430.596 4.682 30 10 IJEE C#CCOc1ccc(CNC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)cc1 1672951943 NHOUFDWEPMJNDM-APWZRJJASA-N 427.342 4.549 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCc4cc(Br)c(F)cc4C3)cc21 1674685222 PEVWRNXHPZQROZ-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=CCc1cc(CNC(=O)NCCc2cn(C)c3cc(Cl)ccc23)cc(OC)c1OC 1676275666 ZBLLPMOCGYEYFU-UHFFFAOYSA-N 441.959 4.619 30 10 IJEE C#C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)C1 1676572756 WIHLXVZAKDLICT-SIKLNZKXSA-N 445.563 4.762 30 10 IJEE C#CCN(C(=O)NCCc1cccc(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1676865150 ZQSJWALBPODBQG-IBGZPJMESA-N 447.760 4.814 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(Br)cc1 1682356220 CMPCEOWPGKIABI-HXUWFJFHSA-N 437.341 4.589 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1C(=O)N(C)Cc2ccccc21)c1ccc(C(F)(F)F)cc1 1685817301 LDVCBQWAYIOBND-VQTJNVASSA-N 431.458 4.725 30 10 IJEE Cn1cc(CNC(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c(-c2ccc(C#N)cc2)n1 1686078508 DXCJSSLNISHSMM-KNQAVFIVSA-N 433.943 4.748 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCSc1nccs1 1689862915 JHHZAZSWABWILK-GOSISDBHSA-N 441.626 4.571 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(COC)CCCCC1 1690059129 JXCZFDOELOQBRY-LJQANCHMSA-N 428.552 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccco1 1690240271 DAYIQFDFVRSEKS-MDYRTPRTSA-N 427.936 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCCO)CC1 1690241167 PHBSRTCDLOSEMB-IRLDBZIGSA-N 445.007 4.569 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(OCCC(C)C)CC1 1690248865 QUPFTAUBHIJYAJ-NZQKXSOJSA-N 432.653 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CCN(C)C(=O)OC(C)(C)C 1690259345 FZWCXWNFGKVPGB-UHFFFAOYSA-N 427.593 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(C#N)o1 1690259665 RRSOXAKCGVUPRR-UHFFFAOYSA-N 440.345 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1csc([C@H](C)OC)n1 1690266537 AHIOALNMLJOAFS-INIZCTEOSA-N 429.565 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CC(C)(C)NC(=O)OC(C)(C)C 1690268518 OEEKJYJOWRFIEE-UHFFFAOYSA-N 445.583 4.714 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690280310 DTSNFHSXNFTFLH-NHCUHLMSSA-N 440.588 4.714 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1690317242 WENORRYQNGVSNA-YLJYHZDGSA-N 427.420 4.624 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)N2CCC(C)CC2)CC1 1690412055 BQYGIDZWFVUCMR-HXUWFJFHSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690422718 XWGCOPOIPPIALX-GOSISDBHSA-N 427.574 4.792 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCN(C(=O)CC3CCCC3)CC2)nnc1C(C)(C)C 1690439813 POTGDHJEYDFILK-UHFFFAOYSA-N 429.653 4.797 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1690458470 DTOQOLKSVXKVMA-UHFFFAOYSA-N 430.556 4.552 30 10 IJEE C=CCCCn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(OC(C)C)CCOC1 1690493784 SGHMUWGIKXRXHI-UZUQRXQVSA-N 434.531 4.761 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@](C)(O)c1cccs1)C1CC1 1690537050 JIVORUZTGNLLKD-WAIKUNEKSA-N 442.560 4.681 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@](C)(O)c1cccs1)C1CC1 1690539887 PRASPKUGNBKSPM-JOCHJYFZSA-N 444.988 4.731 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1690590245 RRUGITDRIFOKPU-SFTDATJTSA-N 437.632 4.889 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)CCCS1 1690604680 YHTZKVOZBGZYRO-XUZZJYLKSA-N 426.630 4.693 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1ccccc1OC 1690749243 WYEARYFQJBFMME-NRFANRHFSA-N 435.597 4.533 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1694028811 BZTZVOBVSBJHGL-ZJSXRUAMSA-N 434.632 4.834 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@@](=O)C(C)(C)C 1705479714 ODHCABRTEYMXPG-IZPCHGGPSA-N 449.045 4.818 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(CCOC)CCCC1 1705577108 WCXRJAPYCAOQNC-UHFFFAOYSA-N 445.394 4.922 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1C[C@H]2CC[C@H]1C2 1705623981 MDQZEKJDTNFVFP-YESZJQIVSA-N 433.383 4.774 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)cc1SC 1705676015 JOTURTYKTDPQAE-HSZRJFAPSA-N 437.638 4.705 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCO[C@H]1C(C)C 1705719683 HMUMTBDEXCIXBV-QPPBQGQZSA-N 426.605 4.937 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)CC[C@H]1C 1705740180 DNWDFMYMGVELMM-RTBURBONSA-N 430.618 4.797 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1705757546 OONVZPPIVFVJCM-UHFFFAOYSA-N 433.002 4.844 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705800952 ONAXBNFDVSKYAT-QHCPKHFHSA-N 448.615 4.910 30 10 IJEE CC(C)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)N1CCCCC1 1706193502 FSPKEMWYHKGUPL-UHFFFAOYSA-N 426.996 4.603 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)N2CCC(C)CC2)c2ccccc2n1 1707251075 BQFUEUOCYUAKGN-PZJWPPBQSA-N 445.615 4.518 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@]1(O)CCCC1(C)C 1722421156 GOSUHRZUHSPOLC-AREMUKBSSA-N 438.591 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C1CC1)N(C)C 1722474878 LYPIQHSKOPZFHY-NZQKXSOJSA-N 444.048 4.556 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn2ccsc2n1 1722511521 AQYLMXINPJCKBF-UHFFFAOYSA-N 430.940 4.898 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N(CC)CC)CC1 1722519727 IFWSBDRUMTWHLE-OAQYLSRUSA-N 425.621 4.922 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cscn2)CC1 1722601179 FMQPERFMAIMEJI-UHFFFAOYSA-N 443.020 4.734 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722609419 BQLWCNLCYKJEJS-UHFFFAOYSA-N 445.995 4.869 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1722651281 HFRSZWJTCGDQPY-RBBKRZOGSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1CC1(N2CCCC2)CCOCC1 1722656502 WUGKEHMGAGFNBX-QFIPXVFZSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCc1cccc(F)c1 1722662597 KMCBUHQKOSMBEZ-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCc1ccccc1OC 1722662852 MYFKEXNXCXJJLT-UHFFFAOYSA-N 433.581 4.789 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccsc1 1722662968 PSWQIOCUMARBGV-QFIPXVFZSA-N 437.594 4.563 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2C)C1 1722710933 QLEQOTQSQKJSON-VXKWHMMOSA-N 447.583 4.568 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1722732878 RNDLDJCFJPKIJF-RTWAWAEBSA-N 427.662 4.812 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(COC)CC2)CC1 1727969625 CMWZLURATOTEQB-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE CN(Cc1ccsc1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCS1 1729440345 GHVNPMMNSZXMGG-QFIPXVFZSA-N 439.610 4.712 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1740582493 FBEYYYVGUPNYII-GOSISDBHSA-N 438.373 4.751 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1740587089 XZEPPMZFYXWFDO-ZHRRBRCNSA-N 443.389 4.899 30 10 IJEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(CC)s1 1740680117 RPUHGMOUVFYJMU-UHFFFAOYSA-N 434.609 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCOCC(C)C 1740726190 ZCCHYRJQNVMKCJ-NTKDMRAZSA-N 428.552 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCc1nc(C)c(C)s1 1740727478 NIWXOWKVIHTRKA-JOCHJYFZSA-N 425.989 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)CCC 1740762441 TZOCBPNDWVVNPF-YDLSIGKMSA-N 440.588 4.644 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1740784862 YXXPYIHQVZFPNZ-APWZRJJASA-N 431.378 4.965 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)CC1COC(C)(C)OC1 1740846785 LRXDZWKSWPEPKE-UHFFFAOYSA-N 449.599 4.931 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1Cc1cccs1 1740857158 FRTZHXGUAHDMKY-GOSISDBHSA-N 436.585 4.555 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1740859802 RKUYVLMIPGVAOS-UHFFFAOYSA-N 432.572 4.697 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1740862021 ICBOKVGSINLVCY-GOSISDBHSA-N 430.618 4.893 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1740887185 DWSYDHSGQBOVHK-FGZHOGPDSA-N 431.669 4.550 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCCCO1 1740915187 XDSUCBRZIGVMAD-QHCPKHFHSA-N 442.567 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1c(C)noc1C 1740934248 WVXNNKQMHKNYTR-UHFFFAOYSA-N 435.572 4.986 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCSC1(C)C 1740936969 PDGPUIOWSOEQMW-IBGZPJMESA-N 437.613 4.624 30 10 IJEE Cn1cc([C@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)cn1 1748014083 ARFLLGSSWIVNGX-JOCHJYFZSA-N 447.587 4.630 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@H](C)C#N)n2CC2CCCC2)c1 1748584598 IAYBYXCLIOSTDH-CQSZACIVSA-N 432.366 4.502 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC(C(C)(C)C)C1 1748925785 NOMGLFWJUWSJCA-HDYDNRTBSA-N 443.636 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C)CC1 1749136809 SCFSUNTWCVIKFW-KJWPAHLWSA-N 438.616 4.680 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749270578 DRAUUKPECFFTNH-INIZCTEOSA-N 434.415 4.585 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2csc(CC)n2)CC1 1749348114 KVRRNTGYFXERFZ-UHFFFAOYSA-N 437.613 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N(CC)Cc1cnn(C)c1 1749368512 LDWWNSCZGMZOEH-UHFFFAOYSA-N 428.531 4.509 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1csc(CC)n1 1749502502 WOSYWSSWBBQVRK-UHFFFAOYSA-N 438.384 4.853 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC(C(C)(C)C)C2)C1 1749719356 SYLCZHXLQXCMHI-QETWGEEDSA-N 435.572 4.507 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1749762558 YBAIUPZCLAOLGF-CVDCTZTESA-N 449.624 4.779 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](c1ccco1)N1CCCCC1 1751659489 AZDHVGMXFCWIOS-IFMALSPDSA-N 432.572 4.812 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)CC 1760290499 HSJIHFWXBSYMOO-FGZHOGPDSA-N 428.989 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC)cc1OC 1760332174 VDQYDYDUPKNDOW-UHFFFAOYSA-N 441.963 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760409871 LBKFSXZVRCOONT-UHFFFAOYSA-N 438.523 4.998 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC(F)(F)CC1 1760446246 LPWUVPYPIZKGSI-UHFFFAOYSA-N 447.349 4.597 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)C 1760478027 RSRMMPRVAOWCDQ-ZJSXRUAMSA-N 449.599 4.926 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@H](C)N1CCC(C)CC1 1760478747 QJUUXIIYPWGZLN-VXKWHMMOSA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1(OCC)CCCC1 1760483498 RGGKKYRPBYELCZ-UHFFFAOYSA-N 437.563 4.965 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760498696 BLYMYSIOTYGELP-JYFHCDHNSA-N 431.584 4.923 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1764342665 IAGTZXNBAIIJAF-UHFFFAOYSA-N 428.462 4.905 30 10 IJEE Cc1cc(=O)c(OCc2ccc(Br)cc2F)cn1Cc1ccc(C#N)cc1 1857915941 WIDPQYABTUXPIM-UHFFFAOYSA-N 427.273 4.557 30 10 IJEE CCC(CC)C(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1858721734 DPABFODMWZSEJY-CQSZACIVSA-N 440.569 4.532 30 10 IJEE COc1cccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cc(C)cc(C)c3n2)c1 1859490217 TXVWDDGDSOSUCO-CMDGGOBGSA-N 437.503 4.878 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)COc1cccc(NC(=O)c2cccc(C#N)c2)c1 1860133744 YELHKNRLOBJAGU-UHFFFAOYSA-N 449.894 4.799 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1cccc(Cl)c1 1861549327 WCTDAWMVYFUOOF-WQICJITCSA-N 435.008 4.572 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccccc2F)cc1 1862390467 DSJCNQHRVLUZLP-QHCPKHFHSA-N 447.510 4.712 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc3cc[nH]c3c2)cc1C 1862402834 INAZYBBHLPWGBZ-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1862540515 PIYBEUXXUVBEAM-LJQANCHMSA-N 428.872 4.797 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862594826 HLTCVSUKIIXCSK-IBGZPJMESA-N 425.893 4.886 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862668691 FORDTLWOTNAFHP-OAQYLSRUSA-N 438.480 4.658 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(Cl)c2)c1 1862700545 JBOOWZPBLYLXRR-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862700937 SBGPBJIFQNAPQL-QFIPXVFZSA-N 449.528 4.586 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862737559 XNZPLOJVCKALEI-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccc4ccccc34)C2=O)cc1 1862849627 XXJYGJQPBFLCDJ-UHFFFAOYSA-N 440.462 4.980 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(F)cc2Cl)C(=O)N(c2cccc(C#N)c2)C1=O 1863060393 QGAVXJQWNJEWAM-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCC)cn1CCC1=CCCCC1 1870765334 PYAANIULLXEJCM-UHFFFAOYSA-N 442.600 4.635 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccc(OCC)cc1 1870840490 BTRZJWSNWWPZTB-UHFFFAOYSA-N 442.556 4.547 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871006856 YWSUOWSNWWNBDF-UHFFFAOYSA-N 445.538 4.650 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c1 1871404061 ICSOHXXEGUOSHB-DNPFKWNUSA-N 445.471 4.726 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1872255202 UQDOGDIWTIUQFB-HSZRJFAPSA-N 438.524 4.691 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872410456 CLGPJWGUBFLEAT-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872420145 FEOLAGOFLJRQCP-OAQYLSRUSA-N 444.597 4.605 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(OC)c1OC 1872771886 FELOGYMQLVUYHQ-OAHLLOKOSA-N 426.469 4.774 30 10 IJEE CCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873034138 SFMKJYKJISROOB-HSZRJFAPSA-N 449.595 4.686 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N3CCC(C)CC3)cc1)n2CC=C 1873615243 PCDCPJSTNBZVTC-UHFFFAOYSA-N 430.556 4.704 30 10 IJEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccncc1 1874192848 RESNYUHJVOIPRE-ZVHZXABRSA-N 429.977 4.949 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1cccc(OC)c1O 1874269468 XKJBTPHMOGRDAA-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2ccccc2OC)CC1 1874287488 HRYADQWSBSGABW-BUVRLJJBSA-N 444.601 4.898 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(OCCC)cc1 1874293745 RRHSHNBDMCUSDV-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2C)c1 1874441984 OXGVYOOOUQSKDH-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OC(C)C 1874451740 NQRXALLJYQVXKY-BUVRLJJBSA-N 443.617 4.566 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1cccc2ccccc12 1874530080 QBFVVEHRHUMKTE-MFKUBSTISA-N 429.549 4.915 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1c(Cl)cccc1Cl 1874535734 UHQKNWBUZRWBRY-HKNSOBRKSA-N 448.379 4.745 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2cc(C)ccc2OC)cccc1OC 1874580785 GJFYAUUVKWCHGV-OUKQBFOZSA-N 439.552 4.936 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c(OC)c1 1874587791 FAEQBZDTSJGOEU-XAVZPLJISA-N 445.515 4.856 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1ccccn1 1874700201 GLTSYFLZSHHTDE-ZHACJKMWSA-N 438.277 4.968 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)Cc1ccc(F)cc1 1874707738 USBFOJQJMPSMFU-RUDMXATFSA-N 434.419 4.607 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Br)c1OC(C)=O 1875153678 SLYXBZXHBXPSLU-FNORWQNLSA-N 437.261 4.817 30 10 IJEE COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C#N)(c4ccccc4)CC3)cc2)cc1 1891743851 JXIKSYQDHZMYIQ-UHFFFAOYSA-N 432.545 4.608 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)Cc1ccc(Cl)cc1I 1901966365 JIJOOXYHAOSHBM-KRWDZBQOSA-N 446.716 4.780 30 10 IJEE CC(C)(C)CN(CCC#N)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1902371143 DLGSMAMWGCIRIH-UHFFFAOYSA-N 445.563 4.846 30 10 IJEE N#Cc1ccc([C@H]2C[C@H](C(=O)O)CCN2C(=O)OCC2c3ccccc3-c3ccccc32)o1 1952601685 PIOICGCKIVSOBE-WAIKUNEKSA-N 442.471 4.938 30 10 IJEE Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)Cc2ccccc2)n1 1953714271 AMACBYLFWWZUGQ-UHFFFAOYSA-N 429.373 4.599 30 10 IJEE C#CCCCC[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2005505247 PQILNXXGIFOXLN-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE CCCC(C#N)(CCC)C(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2006998391 SECBUUSFCDVTQJ-UHFFFAOYSA-N 429.561 4.676 30 10 IJEE CC1([C@H]2CSC(=Nc3ccc(Br)c(I)c3)N2)CC1 2033114472 MIMGJVKINOSVMO-LLVKDONJSA-N 437.144 4.546 30 10 IJEE C[C@@H]1CN(Cc2ccc(Br)cc2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2054190214 CLTGHQZWKKOERM-IAGOWNOFSA-N 442.357 4.552 30 10 IJEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)cc1 2079856828 WPIHHYRHRALVNY-KRWDZBQOSA-N 447.320 4.809 30 10 IJEE CCc1nn([C@H](C)c2ccc(C(F)(F)F)c(F)c2)c(I)c1C#N 2079952030 BUNQMSYVPYOIIZ-MRVPVSSYSA-N 437.178 4.689 30 10 IJEE C=C1C[C@H]2CC(NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN3Cc3ccccc3)C[C@@H](C1)C2 2084737507 LTXBELJHBBRGKE-DVMHTGGUSA-N 439.644 4.832 30 10 IJEE Cc1sc(Br)c(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1C 2101083061 FMHLUHYXPOLSED-CYBMUJFWSA-N 428.201 4.826 30 10 IJEE N#Cc1ccc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(F)c1Br 2163308604 VPEDVSDDPYXXIK-QFIPXVFZSA-N 428.349 4.952 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCN(c2ccc(C#N)c(Br)c2F)C1 2174815264 RJRPMKPWYYYVFZ-LSDHHAIUSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1cc(Br)c(C#N)cc1F 2174816029 ZGTBFVCXRMOVPQ-DLBZAZTESA-N 438.341 4.828 30 10 IJEE C=C(I)COc1c(C)cc(Br)cc1CNC1CCC1 2231460278 GVJOGVMXWKORAH-UHFFFAOYSA-N 436.131 4.727 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2235747244 OKNNHSZRBFJOKK-YVWKXTFCSA-N 435.406 4.672 30 10 IJEE O=C(C#Cc1ccc(Cl)cc1)[C@@H](O)c1scc(Br)c1Br 2239472203 WKCUMZTWLRBLGN-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CN[C@H](CC#CC1CCCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2251483903 YUDZWKALYGPMRQ-HSZRJFAPSA-N 426.601 4.612 30 10 IJEE Cc1cccc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2268686660 FTMRYTJKHPAFMM-SFHVURJKSA-N 442.365 4.792 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C 2296295793 HHSYDFSEKCUFQS-NSISKUIASA-N 437.422 4.964 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2cc3ccccc3o2)[C@@H]1c1ccc(C)cc1 2297740910 NNKREHIESIOVEP-QHCPKHFHSA-N 432.520 4.505 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1cc(Cl)cc(Br)c1O 2313557883 OASCLYSITLZJSG-UHFFFAOYSA-N 427.682 4.839 30 10 IJEE O=C1[C@@H](c2ccccc2)SC(=NS(=O)(=O)c2ccc(Cl)s2)N1c1ccccc1 2314396820 LEOBYIULMSNOHQ-QGZVFWFLSA-N 448.978 4.968 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CC2)n1N=Cc1cccc(Cl)c1)c1ccccc1 2320897115 FJJPFQFLJCTZRY-OAHLLOKOSA-N 439.972 4.661 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cccc(OC)c2)cc(Cl)cc1OC 2322371979 RUDWHZOOURULHP-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2ccc(Br)cc2)cccc1OC 2322427552 DKGIXKUNZHZNKQ-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2323193873 KMQIVGZZYBIFRW-UHFFFAOYSA-N 444.439 4.633 30 10 IJEE C=CCNC(=O)[C@@H](CCC)NC(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2323194062 XCRMFQALBFPQFW-JOCHJYFZSA-N 426.944 4.519 30 10 IJEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323310524 BBBHLQXNHOGOQL-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)NC1CCCCC1 2323371106 ZZHIQPZRWUTECL-UHFFFAOYSA-N 442.899 4.972 30 10 IJEE Cc1ccc(COc2ccccc2C=Nn2c(S)nnc2COc2ccccc2)cc1 2323557468 PLYLJNNAHUGYJR-UHFFFAOYSA-N 430.533 4.915 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2N=Cc2ccc(C(C)C)cc2)o1 2325589854 KIMUSGYZZFJHHE-UHFFFAOYSA-N 426.542 4.908 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCC 2325649064 WRHWNXZGWJFLQI-UHFFFAOYSA-N 432.860 4.657 30 10 IJEE CCC(=O)Oc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OC 2325721919 GRELJYCYQAJYHB-UHFFFAOYSA-N 434.242 4.577 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2)cc1OC 2326296083 CIOBTDWPGHUWAF-UHFFFAOYSA-N 440.569 4.739 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc(C(=O)OC)cc1 2327768099 DDNGFLDWOBMHFT-UHFFFAOYSA-N 442.544 4.969 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])c2)c1 2330785838 APUYCYUMBYQCDT-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)c1 2331389062 MTUQAWLUTMHTQY-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)cc1 2331488730 SZRWHYWEVRYYLS-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1cc(Cl)ccc1O 2331648764 CHKSGLKFMYJCIG-UHFFFAOYSA-N 448.932 4.534 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C(C)C)cc1 2331673371 HFABSUKPZRWOQW-UHFFFAOYSA-N 441.532 4.552 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(F)c2)cc1 2331683984 DBOLIPSKTYHYMI-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)ccc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1C 2342474572 MHGRDYPLJJZGTN-KRWDZBQOSA-N 444.381 4.959 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2 14461779 UIZAOZGOVAMMNK-WRALFONMSA-N 437.609 4.824 30 10 IJEE Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(Br)c1 17099409 NQQXXAGHCNTRPD-BTYIYWSLSA-N 435.325 4.765 30 10 IJEE CCOc1ccc(N/C(=N\C(=O)c2ccccc2C)NCc2c(C)nn(CC)c2C)cc1 32972199 ZWQWPJQMPOFZQM-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE COc1cc(/C=C2/Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C2=O)cc(OC)c1OC 34720749 ZZZAZTGVGVTRTO-SRZZPIQSSA-N 446.455 4.856 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)(C)C)cc1 38249573 NCAXNALPHVIGOE-WAIKUNEKSA-N 449.547 4.532 30 10 IJEE CCN/C(=N\c1cccc(F)c1)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 59446653 XGOBVUSKMWXSRA-INIZCTEOSA-N 440.327 4.795 30 10 IJEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2csc3c2CC[C@@H](C(C)(C)C)C3)cc1 71528636 KLGPSGZDFMRVRG-CQSZACIVSA-N 434.583 4.817 30 10 IJEE C=CCc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(OCC)c1O 101404468 KLUKDOFKYLEUPE-UNOMPAQXSA-N 440.477 4.664 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)c(OC)c1 102600988 DHUIWXSOQHLXHC-FEYWKWKCSA-N 429.472 4.639 30 10 IJEE CCCN1C(=S)N[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)C2=C1CCCC2=O 169929962 GLLSUQAWUMCEAW-DEOSSOPVSA-N 436.577 4.923 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 169975351 UHKYLRNMACZVJR-NRFANRHFSA-N 425.500 4.738 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2ccncc2)s1 170021929 MZJTWEOJZFKNGJ-GOSISDBHSA-N 439.924 4.900 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccc(O)c2)c1 170078981 RMUMYOGGFRHUTH-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccc(O)c2)c1 170081516 AOUHPSAOSRHMSU-NRFANRHFSA-N 435.863 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 170098142 XAARDOSWQWDVQN-GOSISDBHSA-N 447.428 4.580 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2sccc2C)cc1 170105985 ZUTPOLRJUJWGMU-NRFANRHFSA-N 447.512 4.783 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccn2)cc1C 170174865 XOAMATHCAFZCTI-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2)c1 170221470 NRJSBBXBIDLGCY-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccc1 170233523 BWSSABHHZAYYAS-HSZRJFAPSA-N 437.536 4.867 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170250796 UNSZWIHLZOXNPZ-XMMPIXPASA-N 442.490 4.878 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)c1 170289813 LPXOWLSQCCGVFM-FQEVSTJZSA-N 434.835 4.596 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)[C@H]3c3ccco3)ccc2O1 170290609 XWRWENNJKQYRCN-GTJPDFRWSA-N 437.398 4.664 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)o1 170307698 IBZIJCIPIXWSIW-QHCPKHFHSA-N 446.503 4.857 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCC)c1 170324215 IRACQJJXIAROOG-QFIPXVFZSA-N 439.483 4.778 30 10 IJEE C=C(Br)COc1c(Br)cc(CNCC)cc1Br 233509264 WFEIDUVVEMUQKO-UHFFFAOYSA-N 427.962 4.609 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC(C)=C[C@@H](C)C2)c1 435997931 UZPYXXDSCJVFKY-QGZVFWFLSA-N 444.984 4.760 30 10 IJEE C=CCn1c(SCC(=O)N2CC(C)=C[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 436021975 LDVHYZCHVPVVMP-CYBMUJFWSA-N 437.396 4.955 30 10 IJEE CN(Cc1cccc(Cl)c1Cl)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446626465 BZDYQDYGBUOPSG-UHFFFAOYSA-N 433.339 4.792 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 577920430 QBYPZYYHTBIMSR-IRXDYDNUSA-N 449.628 4.628 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@@H](NC(=O)Cc3ccc(F)cc3)C2)c1 585997656 PSNNQNJFJUXORZ-HSZRJFAPSA-N 437.559 4.627 30 10 IJEE C=CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 586124982 DMXTXXJLMOYNOT-UHFFFAOYSA-N 434.277 4.845 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cn2)cc1 612527355 WGVMQZVVUDUBPK-UHFFFAOYSA-N 428.326 4.925 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C#N 687747351 AAWOKFLEDZLXKP-SANMLTNESA-N 426.472 4.787 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)Cc1ccc(Br)s1 734045047 NWPONJBBIWFWPR-UHFFFAOYSA-N 426.357 4.513 30 10 IJEE N#Cc1ccc(N2CC[C@H](OC(=O)/C=C(\c3ccc(Cl)cc3)C(F)(F)F)C2=O)cc1 764050405 HUIGPVZBWVRSSF-RLGUWMIQSA-N 434.801 4.506 30 10 IJEE N#Cc1ccccc1/C=C/C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 771666933 NPXXDRBZMNIWNO-XIQMRYHBSA-N 448.469 4.935 30 10 IJEE COc1cccc2[nH]cc(CCNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c12 778252822 DGRANLUUCOESNR-UHFFFAOYSA-N 427.464 4.600 30 10 IJEE C=CC[C@]1(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)CCCN1C(=O)OC(C)(C)C 791772605 CWJWLULMAWYOJI-XMMPIXPASA-N 440.496 4.783 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 800782657 QOEYMBJEHNAKSV-SFHVURJKSA-N 443.617 4.558 30 10 IJEE C#C[C@@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 812751209 NKLLHBOPAXJQJE-GOSISDBHSA-N 432.282 4.996 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 816035116 BLHLDSFPMILMJB-HXUWFJFHSA-N 443.353 4.700 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1128864086 VCCJIOOWYIQFSV-AUSIDOKSSA-N 444.934 4.658 30 10 IJEE C=CCOc1ccc(CC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)cc1 1134286928 LUEJYCAWJKKVJT-UHFFFAOYSA-N 433.458 4.703 30 10 IJEE C=CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1138714293 STPVCKKOOOZAOV-UHFFFAOYSA-N 426.460 4.592 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](C)c1ccc(Br)cc1 1157524525 PDSMCBQSFVIKRE-MRXNPFEDSA-N 440.341 4.733 30 10 IJEE C=CCC[C@@H](CO)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 1157761442 XBFRQJCOHMULCV-KRWDZBQOSA-N 432.549 4.514 30 10 IJEE C=C(C)[C@@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(F)c(F)c1 1169474974 WPMRRHAXLHSGJD-RBUKOAKNSA-N 426.385 4.876 30 10 IJEE COc1ccc(-c2nc(S[C@H](C#N)CCc3ccccc3)n[nH]2)cc1Br 1189275651 FGZQLODXKFMXKS-HNNXBMFYSA-N 429.343 4.860 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COc2cc(C#N)ccc2Br)ccc1Cl 1189901237 COJAZVMPQABSCY-UHFFFAOYSA-N 432.705 4.608 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)cc1 1194664959 KLQCKUXWIPCZFV-VWLOTQADSA-N 438.015 4.882 30 10 IJEE N#Cc1cccc(NC(=O)Nc2ccc(Br)cc2I)c1 1202787941 OGORKKREDRPGKB-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE C#CCN(C[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCOc2ccc(Br)cc21 1204922544 AULNKDOKPRZZIM-GCJKJVERSA-N 425.370 4.734 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)c1 1215117492 OJSSLFSYVRSYBB-HTAPYJJXSA-N 425.504 4.654 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 1215515235 RPNRNRTXPSONPJ-UHFFFAOYSA-N 447.841 4.819 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CCCc2ccccc21 1221901722 VGQYTOWEFXSSAK-TZIWHRDSSA-N 439.506 4.589 30 10 IJEE C=CCc1cc(CNC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 1225349696 BFMWJYYJOSLFAF-DEOSSOPVSA-N 446.547 4.632 30 10 IJEE C#CCN(C(=O)NC[C@@H](CC)CC(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1230172719 RRNTZNUGHPNWHM-BBRMVZONSA-N 447.295 4.896 30 10 IJEE CN(CCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)c1ccncc1 1264530204 BPBMNGDIVSOIPQ-JOCHJYFZSA-N 446.938 4.881 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CC)C2)c1 1265926519 XYBBPBGZJUXKAI-QGZVFWFLSA-N 432.973 4.593 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1286333479 IOJJQRQOVGXQMO-UHFFFAOYSA-N 441.583 4.704 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1286337951 ZEFSIJXGFLWWLC-LPHOPBHVSA-N 438.373 4.832 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cscn1 1286497371 QQMCWYFZORZETN-HNNXBMFYSA-N 448.017 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC=C(C)C1 1286667344 JBASEHMHXSLXLN-UHFFFAOYSA-N 426.561 4.730 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CCc1ccc2c(c1)OCCO2 1286750049 NANUQYIZMMRDBE-UHFFFAOYSA-N 438.597 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1sccc1C 1286751465 PYUIRMMJSATCML-PXNSSMCTSA-N 444.626 4.674 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286796759 VRZBMULGRZTARA-VXKWHMMOSA-N 435.572 4.526 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(OC)CCCCC2)C1 1286800735 PXOXNRJKYMIDAD-DHIUTWEWSA-N 438.616 4.951 30 10 IJEE COC(=O)CCSc1cc(Cl)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 1287668451 DLFPSLPFKZELFS-UHFFFAOYSA-N 441.896 4.774 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)n1 1290665724 HGLSGDNEUTWJLX-UHFFFAOYSA-N 437.979 4.632 30 10 IJEE C=CC[C@@H](NC(=O)c1cc(C)c(Cl)cc1I)c1ccncc1 1293577682 OPDNCAUXIDVPFC-MRXNPFEDSA-N 426.685 4.695 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1300275308 SVWZHNTWZXWXIK-CNNODRBYSA-N 440.563 4.897 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1SCCc2ccccc21 1300328015 GUHXBPNKABSORZ-KVJIRVJXSA-N 438.641 4.685 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C(C)C 1300362682 TUHNCHWZUIGRNY-RTWAWAEBSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSc1ccccc1 1300516101 IKEGJKPURRYMQB-IBGZPJMESA-N 446.645 4.997 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC=CCC1 1300569385 JDCDZUORZJEQBO-OAQYLSRUSA-N 432.568 4.560 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(SCC)c1 1300604031 BDVBWWXNAPQYAN-UHFFFAOYSA-N 444.402 4.656 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(OC(C)(C)C)CC1 1300740828 FNVUEDKYGIIFRE-QFIPXVFZSA-N 440.657 4.970 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCSC2(CCCCC2)C1 1300743317 MITVJJUQGIKWKY-UHFFFAOYSA-N 442.654 4.576 30 10 IJEE C=CCC1(NC(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)CCCC1 1300859570 VFZDMRGVZYPHBE-UHFFFAOYSA-N 433.618 4.951 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(c2ccc(OC)cc2)CC1 1300890659 VXRZYHORGUPTOZ-DHLKQENFSA-N 438.616 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC1(c2ccc(F)cc2)CCOCC1 1300918970 OFUHDGSNZOQKAI-UHFFFAOYSA-N 449.574 4.554 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1301166399 VKSDTAFDRQAMBA-RXVVDRJESA-N 447.549 4.978 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CC[C@@H]1CCOC1 1301354719 HOWVZRBYRCKWRR-GOSISDBHSA-N 426.561 4.689 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 1303406686 LFPQYMDJNPPXCV-UHFFFAOYSA-N 432.973 4.925 30 10 IJEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)CCOC1(C)C 1305239482 BKIHKZNRUWOSEA-QFBILLFUSA-N 429.515 4.646 30 10 IJEE CN(Cc1ccccc1CNc1ncc(Br)cc1C#N)C(=O)OC(C)(C)C 1307156448 FYRVRBFVZXOIAM-UHFFFAOYSA-N 431.334 4.695 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncccc2C)nc2sc(-c3ccccc3)cc2c1=O 1307283881 MPBCDRYORVQVIU-UHFFFAOYSA-N 448.573 4.745 30 10 IJEE CSc1cccc([C@H](NS(=O)(=O)c2ccccc2CC#N)c2ccc(F)c(F)c2)c1 1309252881 FRLVCLMVTVEKGN-QFIPXVFZSA-N 444.528 4.821 30 10 IJEE CC[C@H](C)[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1310076121 HYYOSMRMQSFVDM-CYFREDJKSA-N 432.568 4.576 30 10 IJEE COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1310721640 CBBFGJVVKFJVNF-HXUWFJFHSA-N 445.523 4.695 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1312472523 XLZATKFTPLSTET-UZLBHIALSA-N 427.342 4.721 30 10 IJEE C#C[C@H](NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cl)cc1 1312903482 JHIJMUHKMHMZDP-NSHDSACASA-N 449.629 4.833 30 10 IJEE C=CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1nc(-c2ccccc2)cs1 1348497269 ORDMVGKESSHCER-FUHWJXTLSA-N 427.570 4.975 30 10 IJEE C=CCN(C(=O)CC1(C#N)CCCCC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1354203172 VZKOXYFEZFDOOW-UHFFFAOYSA-N 443.594 4.597 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1 1354531339 FBJPUMBZVVYVSP-UHFFFAOYSA-N 440.908 4.968 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@@H]1C 1358988828 FMIWUIJIKQCFDH-IRXDYDNUSA-N 443.364 4.746 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1359100371 ANTMOIBDAHLNHZ-PGRDOPGGSA-N 430.980 4.814 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H](c1cccc(F)c1)N(C)C 1359114836 BDEDTBCWFQOFDX-OAQYLSRUSA-N 427.593 4.775 30 10 IJEE C=C(C)Cn1c(CCc2ccccc2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1359123365 BTKXMGFLHQXXAJ-UHFFFAOYSA-N 444.627 4.777 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@@H]1C 1359127047 GTDZBHAQYQDURX-DLBZAZTESA-N 437.009 4.606 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1359132868 HBVYNHQFFASZRS-QUCCMNQESA-N 445.633 4.515 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC[C@@H]2OC)CC1 1359161236 VMPBKSKTRRLEBK-BEFAXECRSA-N 449.368 4.818 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC1 1359169002 QBHOHRFJHDPRJY-UHFFFAOYSA-N 425.945 4.893 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1359190778 CEEKQKZPPXVXDT-DEOSSOPVSA-N 435.660 4.978 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](OC)C(C)(C)C1)c1ccccc1 1359194337 TZZPOWPKKXOUFL-FYYLOGMGSA-N 431.584 4.870 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359200840 SMPJCQMZTFTCNL-UHFFFAOYSA-N 436.560 4.560 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1359208493 MXRZQKQVHUXYIH-GOSISDBHSA-N 444.551 4.645 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1359212539 OXECMIHQRFNQMG-IBGZPJMESA-N 435.538 4.930 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1CCO[C@H](C)C1)C1CC1 1359248242 GIUHPWIFHDLSLW-IAGOWNOFSA-N 430.980 4.967 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCOC[C@H]1C 1359267890 VYPTVLVDEHNDLC-AEFFLSMTSA-N 431.378 4.559 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@@H](C)C#N)C1 1360007874 HOKLQUFOKVLREJ-VQTJNVASSA-N 434.588 4.655 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(Cl)s1 1360769137 DPJCVTLSMORHGC-RNODOKPDSA-N 449.914 4.762 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1nc2ccccc2n1C1CCCC1 1360835777 FKRAXQHLPDVVJE-UHFFFAOYSA-N 439.313 4.803 30 10 IJEE Cc1nn(CC(=O)N(C)c2ccc(C#N)cc2F)c2nc(C(C)C)cc(C(F)(F)F)c12 1434986372 GHFVFRWMUDSLEQ-UHFFFAOYSA-N 433.409 4.556 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3ccc(C(C)=O)cc3s2)CCCN1C(=O)OC(C)(C)C 1435954778 BOXKBRTWJVJBNW-JOCHJYFZSA-N 429.542 4.783 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)cc1Br 1436210757 BRNQWGYIQGYOPJ-UHFFFAOYSA-N 449.230 4.837 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C(=O)OCC)C2CCCCCC2)s1 1437218964 ZGOPFZLSAQTLIO-GOSISDBHSA-N 445.050 4.857 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccccc1OC 1443758158 DJXXCKWJRNJQHO-TZIWHRDSSA-N 444.959 4.937 30 10 IJEE CC(C)c1c(C(=O)Nc2nc(Cl)c(C#N)s2)cnn1-c1ccc(C(F)(F)F)cn1 1460001656 GKUSBHWRHUIFSD-UHFFFAOYSA-N 440.838 4.643 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 1461633471 WGJDGEASNFUVNV-UHFFFAOYSA-N 430.342 4.775 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2nc3c(s2)CCC3)cc1 1465490376 DOZHSFWMQSGLFG-UHFFFAOYSA-N 434.521 4.669 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)[C@H]1CCc2ncsc2C1 1469798676 DFLYHAGORIMOTI-DOTOQJQBSA-N 442.025 4.665 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 1472575086 GYNPMRQFUFMHIN-DNQXCXABSA-N 446.934 4.668 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 1472729022 HBPIOXHLUPWUGR-MSOLQXFVSA-N 437.588 4.614 30 10 IJEE C=CCn1c(SC[C@@H](OC)[C@@H]2CCOC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472971170 NIDINHPQFLWPFJ-QZTJIDSGSA-N 442.606 4.763 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1)C(C)(C)C 1473809141 NSPWWRXMZQOQRJ-UHFFFAOYSA-N 426.564 4.700 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CCCC1 1475860309 LJELGBYPSZTLDF-LJQANCHMSA-N 433.618 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 1475930268 XORLYCPYHZPZDJ-PBHICJAKSA-N 425.476 4.855 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 1476728813 DCABJQLEKLIUHZ-NHYWBVRUSA-N 437.256 4.588 30 10 IJEE C#CC1(NC(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CCCC1 1477236553 JMNLCZPJHOKIHR-NRFANRHFSA-N 431.536 4.562 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H](CC2CCCCC2)c2ccccc2)C1 1477726406 BNIUUNDBOKRRER-BDTNDASRSA-N 440.588 4.756 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H](C)C2)c1 1492645682 FHVFQZCCDCYFNA-SFHVURJKSA-N 434.613 4.555 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2ccco2)C1)C(C)C 1502584621 HJLZXTCKCUQWBU-YADHBBJMSA-N 433.556 4.855 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C3CC3)CC2)cc1Br 1504155010 AWYXQDKAQFFMNU-AWEZNQCLSA-N 444.377 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(CC)CC 1507526456 HNJFAULQLGSMON-YLJYHZDGSA-N 425.964 4.733 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1507577579 RIJIBKYEIAZDNC-XLIONFOSSA-N 445.405 4.762 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(CCC)Cc1ccc(F)cc1C 1507752522 ZTRNKWOOHIWMDT-UHFFFAOYSA-N 437.588 4.879 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(CC)Cc1cccs1 1507754533 WTQBOLILCPJVTC-UHFFFAOYSA-N 431.030 4.977 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507800195 MIGVGYFGVMOLRV-DYESRHJHSA-N 443.954 4.694 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H]2C[C@H]1CO2 1507855705 UZVWECUBEJQTQN-SZMVWBNQSA-N 437.371 4.808 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)=C(C)C1 1507916897 WNSHTTHDKBKXBB-UHFFFAOYSA-N 435.620 4.601 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1507916933 HYJLDDDDIZIVLJ-UHFFFAOYSA-N 443.611 4.549 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1507917722 UXSSWZGESRPJJE-FQEVSTJZSA-N 438.620 4.637 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(OC)C1 1507919144 LRDOBRUPYOCTDY-UHFFFAOYSA-N 426.605 4.982 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1507944733 XCQJHIMRHYUTHR-UHFFFAOYSA-N 427.936 4.613 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1Cc1ccsc1Br 1507996884 LJEBXGDUIDMPQA-UHFFFAOYSA-N 428.359 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(C)CN(C)C1=O 1508006746 VPFVKRLJFWAVSN-BWKNWUBXSA-N 449.624 4.552 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCCC2(CCOCC2)C1 1508159656 WNKFRRDHFUUQOE-UHFFFAOYSA-N 433.021 4.915 30 10 IJEE COc1ccc(-c2ccc(CNC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)s2)cc1 1516788052 DKPATUYGGLPCEM-SFHVURJKSA-N 435.524 4.577 30 10 IJEE C#CCN(C(=O)COc1c(C)cc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1521819887 VTDIQNKVNMNLDT-HXUWFJFHSA-N 442.353 4.739 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccccc2F)nc1)[C@@H](Cc1ccccc1)C(=O)OCC 1522958641 GRZJWYHZIHKUIN-QFIPXVFZSA-N 448.494 4.816 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C(C)=C/c2ccc(C)cc2)c(C(=O)OCC)c1C 1525887246 CVRAFIRQAJHQFU-FYWRMAATSA-N 427.522 4.926 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1 1527788027 PWOBUEVHZUAOGU-NRFANRHFSA-N 431.504 4.602 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(C)(C)Oc1ccc(OC)cc1 1527807393 QVCRKOUEVOCLSJ-UHFFFAOYSA-N 436.321 4.969 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccc1 1534344135 ONCGXYUHNGNXBL-YLJYHZDGSA-N 427.342 4.626 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccccc1 1537448530 WEDVHTIJIIEZIR-SSEXGKCCSA-N 437.418 4.884 30 10 IJEE C#CCC1(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CCOCC1 1538244287 UEIXDDQWRYHAPP-UHFFFAOYSA-N 434.967 4.964 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1539055922 LXRVPKFHHSJWGR-JOCHJYFZSA-N 440.389 4.950 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1539067699 JCNCZPYVKPCCTF-QHCPKHFHSA-N 447.558 4.777 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CC1CCOCC1 1539096095 QLRBUQQHLHHVDS-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539140743 QLEYDORXLHDIIS-CALCHBBNSA-N 434.556 4.720 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1=CCCCC1 1539245612 DAWZBVHYDKBRGB-UHFFFAOYSA-N 443.776 4.934 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1539305756 NWIJJMWFQRQMBX-ZEQRLZLVSA-N 445.655 4.729 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)OC1CCCC1 1539496717 HUKQJDMDOCVNKJ-INIZCTEOSA-N 434.993 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)c1ncc(C)s1 1539669066 KMRDCLNQWKUNHW-UZLBHIALSA-N 439.585 4.762 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1539805726 OVTOVBGWUCLFOT-QFBILLFUSA-N 425.791 4.950 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539874634 OANQUUBDCSPDHW-YSIASYRMSA-N 428.552 4.511 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1539892263 XDXXISBMWAMPOR-OAQYLSRUSA-N 439.991 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1539903098 SJFPYGUEGYAUKC-UHFFFAOYSA-N 437.632 4.845 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCOC[C@H]1C)C1CC1 1540101632 JIQBMLHDTZDQSJ-HUUCEWRRSA-N 449.368 4.674 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1 1540125904 CFUJBJITGGPZKW-IBGZPJMESA-N 437.613 4.777 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCCC1(C)C 1540179926 DKQFJRKIJWROFW-HHHXNRCGSA-N 445.611 4.825 30 10 IJEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC(C)(C)C1CC1 1541185335 FZEBKWSCTULBBU-UHFFFAOYSA-N 448.659 4.887 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1541773943 DJTXTIVMHXQLBQ-NZSAHSFTSA-N 433.478 4.724 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)s1 1542833665 DBTYTWNJMFLMLB-QWHCGFSZSA-N 432.956 4.902 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)CC[C@H]1C 1544457721 HCQGCZGQESQRQQ-WOJBJXKFSA-N 444.583 4.584 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(COCc2ccco2)c1 1544499613 OFZPLGJBDJPQJD-LJQANCHMSA-N 434.920 4.971 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)C1 1552504810 FVVQGQSDGXTVLZ-YADHBBJMSA-N 449.628 4.592 30 10 IJEE COC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1554568834 CQJQAUBAHMJYQE-KSFYIVLOSA-N 431.968 4.627 30 10 IJEE C[C@]1(c2ccccc2)CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1556560412 HJYROKNACDHQMY-QFIPXVFZSA-N 427.342 4.670 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C2CC2)cc1 1562017846 FWGXMTNHNQRKMP-XMMPIXPASA-N 427.566 4.521 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1 1562564186 VNZRNSAHQRTJDJ-UHFFFAOYSA-N 438.356 4.551 30 10 IJEE COC[C@@H](NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)[C@H]1CCCO1 1562953092 BGCPBORCPNVMFG-RTBURBONSA-N 431.945 4.678 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1567637461 SUKJGVCRHHVJGM-FQEVSTJZSA-N 446.469 4.590 30 10 IJEE N#CCc1cccc(NC(=O)c2c[nH]cc2-c2cc(Br)c3c(c2)OCCO3)c1 1569186583 GFIILFGIUCCAPD-UHFFFAOYSA-N 438.281 4.534 30 10 IJEE C#Cc1cccc(CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)c1 1583841685 YBGHEGDUYUZWHU-UHFFFAOYSA-N 439.224 4.504 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccnc(NC(=O)C2CC2)c1 1585941230 CPAYMFFJPDMISN-UHFFFAOYSA-N 449.326 4.972 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccc(C)cc1 1587679255 YUFVVUDZJZOAGJ-CEMLEFRQSA-N 440.657 4.896 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)OC1CCCC1 1589570553 VKXOMJQCBQTBJI-RDPSFJRHSA-N 440.588 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccccc1N1CCCCC1 1589669311 PXGJADGSDZILHE-UHFFFAOYSA-N 430.600 4.705 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(SC)CC2)CC1 1594064236 KXTFIPWAQJKZHW-UHFFFAOYSA-N 425.421 4.821 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2oc(CCC)nc2C)CC1 1594122093 JLUSDPVYZOCKPC-UHFFFAOYSA-N 435.572 4.928 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCN2CC)CC1 1594194493 WIDRGWWDRZXWJU-FPOVZHCZSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1594527777 BFCZTFPHKMRMLX-MOPGFXCFSA-N 449.640 4.547 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCCC)CC1)c1ccccc1 1594543919 FMKUAAQUYSHWHQ-DHIUTWEWSA-N 446.599 4.881 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C(C)C)N1CCCC1 1595115143 FDFZXEHHHYZLJP-BJKOFHAPSA-N 437.632 4.833 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1Cc1cc(C(C)(C)C)no1 1595229924 XERWQWGXDOJGCR-UHFFFAOYSA-N 430.556 4.793 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2sccc2C1 1595895439 JPICBUYKTSQPEM-UHFFFAOYSA-N 440.638 4.615 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1596467179 GTMWKGIZMRWZPG-JKSUJKDBSA-N 436.478 4.563 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCCC2)cn1 1610923321 GOWDTGOJKPOWPN-UHFFFAOYSA-N 430.556 4.818 30 10 IJEE C=CCN(C(=O)c1ccc(Nc2nc(C)cs2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1616306201 WCFBQIIOPSPZBB-QFIPXVFZSA-N 449.576 4.998 30 10 IJEE C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1OC 1616620200 NJWCAIUJYXWTEX-UHFFFAOYSA-N 437.517 4.940 30 10 IJEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1 1621672256 WQKPGEPKYYPZDK-UHFFFAOYSA-N 440.609 4.955 30 10 IJEE CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 1622897416 DBIQDZNJAYEFMJ-FPOVZHCZSA-N 438.959 4.906 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 1623799227 WPYJLCPORXYPQE-UHFFFAOYSA-N 433.302 4.778 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 1623891300 QBKKIYLPYDLKTC-UHFFFAOYSA-N 447.392 4.590 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 1625190600 ZIPSUHWTUNSCDB-LEWJYISDSA-N 426.944 4.852 30 10 IJEE C#C[C@H](NC(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21)c1ccc(Br)cc1 1627872404 NXJMPXGQJLWHGB-HKUYNNGSSA-N 437.259 4.827 30 10 IJEE C[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(OCc2cccnc2)cc1 1628696635 FYSCIWMSYMLWIR-CJAUYULYSA-N 426.520 4.970 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CCC 1631292183 ARDYAYIRXFBWMD-JOCHJYFZSA-N 426.944 4.905 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1 1632907746 BQSYQAHLYXTXCX-UHFFFAOYSA-N 439.515 4.931 30 10 IJEE C#CCN(C(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)C1CCN(C)CC1 1633776552 FIVZVNSXJCPVLC-IRLDBZIGSA-N 435.534 4.861 30 10 IJEE Cn1nc(C2CCOCC2)cc1NC(=O)c1ccccc1SCc1ccc(C#N)cc1 1634987692 GAGLFHLREBTNNU-UHFFFAOYSA-N 432.549 4.730 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(Cl)cc1 1635632057 JRVVGGLKDZCWSO-MOPGFXCFSA-N 431.964 4.636 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(-c4ccc(OC(F)(F)F)cc4)[nH]n3)cc21 1636363626 ZRQOMINWQAUBRL-UHFFFAOYSA-N 427.386 4.763 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1636890789 DMJXGAVXLXVTDM-AREMUKBSSA-N 444.962 4.899 30 10 IJEE CC(C)(CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc2ccccc2c1 1637439944 FSLBLMQEIONIGX-RUZDIDTESA-N 426.564 4.537 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N[C@H](CO)c3cccc(Cl)c3Cl)c2)cc1 1640851419 COAWWQUBVOFYGB-OAQYLSRUSA-N 441.314 4.907 30 10 IJEE C=CCn1c(SCC(=O)NCC2(c3ccccc3)CCCC2)nnc1-c1cccs1 1640974631 CTDGVVSZWUGMPC-UHFFFAOYSA-N 438.622 4.913 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1641631048 FXYLYBBFOCMGKY-QFIPXVFZSA-N 427.470 4.756 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1641910127 KNLHMKRYKDMGRH-MRXNPFEDSA-N 425.337 4.585 30 10 IJEE C=CCN(CCOC)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1642940902 NSYPWUQPZAWKBW-UHFFFAOYSA-N 426.358 4.936 30 10 IJEE COc1ccc(-n2c(SCc3ccc(CC#N)cc3)nc3ccccc3c2=O)cc1OC 1643611991 HNYBYWDTSUNXTB-UHFFFAOYSA-N 443.528 4.761 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)C(=O)OCC 1648780252 VVHOJUVIJSMAFK-IBGZPJMESA-N 439.899 4.516 30 10 IJEE C#C[C@@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 1651098917 MLYNVSDLKGWGAM-CYBMUJFWSA-N 436.224 4.668 30 10 IJEE Cc1nsc(N2CCN(Cc3coc(-c4cc(Cl)cc(Cl)c4)n3)CC2)c1C#N 1653757998 HNNJAVHKYPLEIM-UHFFFAOYSA-N 434.352 4.607 30 10 IJEE C=CCNC(=O)c1ccc(NCc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)cc1 1660156126 DYQPYRMZOYPLRG-UHFFFAOYSA-N 442.491 4.634 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2ccccc2O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)n1 1664538276 FEHSCVVKIACNBR-BUALBWRZSA-N 435.612 4.759 30 10 IJEE C=C(C)c1cccc(NC(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c1 1665184482 PNWAAIKKVGTRCW-IBGZPJMESA-N 428.330 4.718 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 1667955765 DEGYOWQFJVYBPK-FXAWDEMLSA-N 447.988 4.604 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)ccc1OC 1668881914 FXYZSHKPTUAFPN-NQIIRXRSSA-N 447.539 4.689 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)c(OC)cc1OC)c1ccc(Cl)cc1F 1670443975 VJEBBRSFWWEKFT-CQSZACIVSA-N 441.684 4.755 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1 1670866130 AFRNSIZHACKRJO-JOCHJYFZSA-N 434.536 4.680 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Nc3cccc(OC)c3)cn2)cc(OC)c1OC 1671733981 DVPAOLSMBVYYJY-UHFFFAOYSA-N 448.523 4.901 30 10 IJEE CCOc1ccc(CCNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1 1671802627 BCCQPEYHNSSYBY-UHFFFAOYSA-N 431.540 4.804 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCc3cc4c(nc3O)CCC4)cc2Cl)c1 1674192727 FSWUFNSUECECIV-UHFFFAOYSA-N 448.910 4.702 30 10 IJEE C=CCC[C@@H](NC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br)c1ccccc1 1680581180 QUZWDKCZQLACFN-NHCUHLMSSA-N 447.373 4.840 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 1681943053 YGMBAKZMLSUHEH-TZIWHRDSSA-N 442.401 4.762 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1Cc1ccc(OC)cc1)c1ccc(Br)cc1 1686920461 YNWIYFHJCWUUPG-UNMCSNQZSA-N 441.369 4.939 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCSC1(C)C 1689955285 ALUXTWVCPUFZEA-FQEVSTJZSA-N 426.630 4.971 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C2CCCC2)CC1 1690277357 PZSJNCJOWNXRGB-UHFFFAOYSA-N 431.531 4.577 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1690300850 MBSAPCINCRQFAN-SFHVURJKSA-N 443.979 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1690434834 IYNZNQXOTNMCTM-FQEVSTJZSA-N 449.603 4.757 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1scnc1C)C1CC1 1690549649 GZSQXSXMDIAVAJ-UHFFFAOYSA-N 429.977 4.673 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(SC)CCOCC1)C1CC1 1690550542 YWFFRRRCNKMJGE-UHFFFAOYSA-N 449.020 4.578 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(CC)CCCC 1690661720 DXGSEYYCEFXMFY-UHFFFAOYSA-N 431.993 4.742 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCCC2)C1 1690690445 YVJMDEMETCZJBM-YADHBBJMSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC([C@H]2CCCO2)CC1 1690738134 HCNJIDCBIFPAHH-HXUWFJFHSA-N 433.021 4.913 30 10 IJEE CCN(CC)Cc1ccc(Cn2c(C3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1695647682 CUYVXWJLCCMZQS-AREMUKBSSA-N 434.632 4.956 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2Cl)n1CCCC1CCOCC1 1698494179 GVWSMAQPBVENQR-UHFFFAOYSA-N 427.980 4.935 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](C1CCCCC1)N(C)C 1705677213 GEGYNZTYZHTMBB-SHQCIBLASA-N 449.643 4.668 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCSC(CC)(CC)C1 1705731432 XNVAFGDOSICPMS-UHFFFAOYSA-N 430.618 4.658 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705782943 MSGKLNOZFBUPKX-UYAOXDASSA-N 445.652 4.915 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ccsc2)CC1 1705827963 WVYDIAPHZPNROZ-UHFFFAOYSA-N 433.581 4.855 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cnn(CC(C)C)c1C 1705837177 SHFJPMVNWHLAMP-KRWDZBQOSA-N 438.645 4.963 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1705861833 QKAOENQLBNVXHI-LJQANCHMSA-N 439.604 4.851 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCN(CCC(C)(C)C)CC1 1705913442 OGPKGRQSLSXWID-UHFFFAOYSA-N 437.632 4.717 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)C1 1705926364 CBMQJXRZAXMVBC-MQSCRBSSSA-N 443.680 4.549 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1ccoc1C 1705940315 BKXUVOHJYNRGLF-UHFFFAOYSA-N 434.569 4.792 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705942449 SIZGHZQXLOTKHH-ZWKOTPCHSA-N 425.602 4.529 30 10 IJEE CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C#N)CC1)c1ccccc1Cl 1710996564 IARIXMOOJDHHHT-FQEVSTJZSA-N 429.012 4.563 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1CCN(CC)CC1 1722405887 RTXLVLFUCXQFQY-LJQANCHMSA-N 439.673 4.713 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1722481995 DFRZSYWQDFKJKQ-AEFFLSMTSA-N 435.341 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1SC 1722509363 OTNKHGUBBKCFPQ-ONTIZHBOSA-N 442.629 4.859 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1C[C@@H](F)c1ccc(Br)cc1 1722518113 UTXPLJYKJRGANE-FUHWJXTLSA-N 437.357 4.658 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722547727 RWTNRIDKOYSMMI-ZDUSSCGKSA-N 437.762 4.732 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[C@@H](OC)C(F)(F)F)CC1 1722568411 KZVNJCXXVJTTDT-LJQANCHMSA-N 438.494 4.598 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1722583806 YZKJSWAKTBXDFB-ICSRJNTNSA-N 442.629 4.654 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC1(N(C)C)CCCCC1 1722662555 JKLNBUFZMFUTKE-UHFFFAOYSA-N 436.629 4.859 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(F)cc1 1722692958 YLJGKHKRBINLFZ-FQEVSTJZSA-N 441.551 4.716 30 10 IJEE CCOc1ncccc1Cn1c([C@H](C)CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1728908099 AJMLJGBEMWTSAA-LJQANCHMSA-N 442.567 4.799 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740584548 HRHVGZMEDLPNJN-TZIWHRDSSA-N 448.571 4.524 30 10 IJEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740594091 AXXAMZXVUZIPOZ-UHFFFAOYSA-N 442.554 4.891 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(Cl)cc1 1740663844 AICMTUQDZDUKLK-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1740712115 XGNVHAZQCMTIEN-AEFFLSMTSA-N 434.556 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740764907 LERIJTJSIHSZFQ-WKCHPHFGSA-N 439.604 4.753 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740860869 SUMZNKVZEQHSIQ-NRFANRHFSA-N 437.632 4.553 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCC2)C[C@H]1CC 1740883651 BOYCHHYBCWGKIZ-LJQANCHMSA-N 425.533 4.605 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)c1ccco1 1740927512 IEHOSOUSIUWSMU-XMMPIXPASA-N 438.597 4.955 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1742072849 GWOCGYXHABWYEF-UHFFFAOYSA-N 448.640 4.793 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccco1)N(C)C 1746229808 GSDAFDQQTPJBPZ-OAQYLSRUSA-N 446.580 4.801 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)CN(C)C 1748648146 YUNYRFZANKUELN-HNNXBMFYSA-N 430.021 4.859 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCNc1ccccn1 1748654921 NVQWGMZWOPMQAV-OAHLLOKOSA-N 429.355 4.607 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1748701309 GLGJYXBMRPJAHD-QXAKKESOSA-N 444.421 4.865 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1748940860 SFWOVTXQVGBRNT-SFTDATJTSA-N 425.596 4.548 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](SCC)C1 1749127399 LLHILWYXHULFSO-URVUXULASA-N 441.645 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(C)cc1 1749147322 DVOAXRLNSDQAKJ-UHFFFAOYSA-N 428.378 4.989 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1sc(C)nc1C 1749165791 OHVRIQDTFZGWDM-UHFFFAOYSA-N 425.602 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1749335841 WHNXYFAVDXCLBS-IBGZPJMESA-N 443.567 4.647 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H]1CC 1749424341 GPWMMXGOXGSSEO-OALUTQOASA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1749538430 ITOZJIJJFBNORR-SZPZYZBQSA-N 437.632 4.628 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCc2ccc(Cl)c(OC)c2)C1 1749709904 TYSOTIBTAGWASB-LJQANCHMSA-N 430.980 4.622 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](SCC)C1 1760352287 VBOGFTSJDJSWTE-HXUWFJFHSA-N 445.589 4.558 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1760418576 VEZGQKDUBRLQLF-QHCPKHFHSA-N 441.583 4.861 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760422206 JNNHGPVUXQGJNP-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC(C)(C)C)CC1 1760423361 XASVNJFYWNOQCG-UHFFFAOYSA-N 427.549 4.994 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C1CC1 1760483462 QHJMCNXKMIFWNG-HXUWFJFHSA-N 441.938 4.750 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCC1CCOCC1 1760498800 FHWNLSHTAUGUJJ-UHFFFAOYSA-N 431.584 4.700 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCC(OC)CC1 1760503757 DQKWDHVWWCJWSE-UHFFFAOYSA-N 436.959 4.582 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSCC1 1760559253 FIFWCEVNMQXZRO-OAHLLOKOSA-N 425.023 4.544 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C)(COC)CC1 1760563895 HRPSOEBCCDVFTN-UHFFFAOYSA-N 425.602 4.599 30 10 IJEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 1761997017 DOQFPZGVWPSOLV-LJQANCHMSA-N 440.661 4.659 30 10 IJEE CO[C@@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccc(C#N)cc1 1769564536 GIHOBRQXHDAWKO-IRXDYDNUSA-N 435.597 4.674 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)s1)[C@@H]1CC[C@@H](C)C1 1771086377 GUUVGUWGCHLZBF-DYESRHJHSA-N 435.597 4.876 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)c1ccsc1 1772522820 XCZOBDSMXKBLIC-YADHBBJMSA-N 444.963 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC1(CCOCC)CCC1 1772523050 OHWZXGMVRRYXAL-JOCHJYFZSA-N 427.980 4.583 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](F)COC)CC1 1772555248 MQKAJDDFDUIVNW-OAQYLSRUSA-N 437.563 4.740 30 10 IJEE COc1cc(CN2C(=O)C(=NO)c3cc(Br)ccc32)ccc1OCCC(C)C 1772729093 WQCJPNCCQRAKBP-UHFFFAOYSA-N 447.329 4.608 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCCC)cc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760984 LJMUILDKCUKQBK-KHSCPFDSSA-N 438.505 4.669 30 10 IJEE C=CCNC(=O)Oc1cccc2c(NC(=O)CCCOc3ccc(OC)cc3)cccc12 1858937362 NQNGXEUTRPKDNS-UHFFFAOYSA-N 434.492 4.921 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(F)cc2)cc1 1862390790 MGJGIICTCLTCRA-HSZRJFAPSA-N 447.510 4.712 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(OCC)c(OC)c1 1862421772 PIUXXGNVVTXVRJ-NRFANRHFSA-N 445.462 4.751 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1F 1862430264 HBWKOCNGWPONBF-NRFANRHFSA-N 444.934 4.789 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc2ccccc12 1862434794 HKJWXFASVYEIGO-JOCHJYFZSA-N 434.923 4.633 30 10 IJEE COC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 1862475886 WQWVCBDLPCYAFW-HSZRJFAPSA-N 441.483 4.560 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccccc2Cl)cc1 1862536132 RKGNRRUNDARCQU-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C)cc1 1862605560 XNTBFNAESXYZNT-HSZRJFAPSA-N 435.520 4.925 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2Cl)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862674192 LKBVOIVXAYQWNR-NRFANRHFSA-N 437.854 4.963 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2C)c1 1862698166 BMEILVPVVRZBSP-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 1862714581 DDEGJOQPILJWFU-QHCPKHFHSA-N 433.479 4.984 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862716418 GCTIWEOLOUNYFP-JOCHJYFZSA-N 446.459 4.688 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCc3ccccc3)C2=O)cc1C 1863260326 KZCDNBSXAADNAE-UHFFFAOYSA-N 435.527 5.000 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)c1 1863299564 QGECBHHCSBQLQV-UHFFFAOYSA-N 441.506 4.858 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccc(F)cc1F 1864626381 GSABSMGDVYTOGE-HXUWFJFHSA-N 446.542 4.661 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCc3cc4ccc(C)cc4nc32)n1 1868246390 JALIWUIYKBIDPK-UHFFFAOYSA-N 436.519 4.832 30 10 IJEE CCc1ccc(C(=O)Nc2c(C#N)nnn2Cc2c(Cl)ccc(Cl)c2Cl)cc1 1870110693 DYKPWYLZYGRAPC-UHFFFAOYSA-N 434.714 4.973 30 10 IJEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN(CCC)CCCC)cc1=O 1870386916 JIOIKYWOPURYJW-HSZRJFAPSA-N 432.992 4.812 30 10 IJEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870826927 BGDFXDGKEUIWAR-UHFFFAOYSA-N 440.927 4.896 30 10 IJEE CCCCCCCOc1cn(Cc2cccnc2)c(CNc2ccc3c(c2)OCO3)cc1=O 1870830409 MYZIPLNENITVOT-UHFFFAOYSA-N 449.551 4.982 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(CN4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)c1 1871396776 VCQSJOREBCIBLQ-WSQWEHKVSA-N 437.536 4.812 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccc(C)cc2)C1=O 1873141693 LUQRKMMDKLIUBB-UHFFFAOYSA-N 439.644 4.899 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cc(OC)ccc1OC 1874245880 BQEQEUPSECRHCC-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(Br)cc1 1874288869 SADNFJCEOSXTIK-CIAFOILYSA-N 447.358 4.622 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cc(OC)ccc1OC 1874379829 OOZFTSWOYOQIOO-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1cccc(F)c1)Nc1ccc(F)cc1 1874452830 PHRBIQKOCCZCRI-DHRITJCHSA-N 441.507 4.827 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1/N=C/c1c(OC)ccc2ccccc12 1874480525 AHKFFHJVPSWGGW-BUVRLJJBSA-N 440.569 4.710 30 10 IJEE CCCOc1cccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)c1 1874528624 TXIMONBBFPNHGQ-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nncn2/N=C/c2ccc(Cl)cc2Cl)c1 1874536809 XFTTZWTWQJHNIK-NUGSKGIGSA-N 434.352 4.815 30 10 IJEE Cc1ccccc1COc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1874561513 VHBJMYWVSWIYNT-MFKUBSTISA-N 430.533 4.915 30 10 IJEE CCCOc1c(OC)ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1Br 1874596937 LLQMKJYZJQITES-QPJJXVBHSA-N 433.298 4.914 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc(Br)c1OCCCO 1874603855 IPLJORFYVFUCAO-JXMROGBWSA-N 445.353 4.994 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OC)c2)cc1 1874701405 RDSPDVGFIPEPLG-LFIBNONCSA-N 432.472 4.974 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2[N+](=O)[O-])c1 1875118682 IQXCPWWTACCHOM-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccc(C)c1 1875148612 JIARGIGOIVBNAB-RMKNXTFCSA-N 430.456 4.890 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)COC 1875181718 ULRXFPOUGHSNAG-CMDGGOBGSA-N 444.911 4.842 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(OC(F)(F)F)c3)ccc21 1890691721 XAPFRMCSNJVULI-UHFFFAOYSA-N 434.414 4.775 30 10 IJEE N#Cc1cncc(C2=CCN(C(=O)c3cc(C(F)(F)F)ccc3Br)CC2)c1 1890871264 PWSRLQCEGVRZOE-UHFFFAOYSA-N 436.231 4.664 30 10 IJEE C=C([C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[Si](C)(C)C 1923027912 UNXIMWLWZRTMFR-DHLKQENFSA-N 445.724 4.958 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(I)c(Cl)c1 1995491034 DPSFUIVAOQDXFI-AWEZNQCLSA-N 449.716 4.526 30 10 IJEE COCCN(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(F)(F)F 2052614887 UTIBRDFVLGYAEN-UHFFFAOYSA-N 435.295 4.658 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1(C)C 2068175464 KTFNMRYFASYHSH-NVQXNPDNSA-N 446.632 4.668 30 10 IJEE COc1ccc([C@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(O)c1 2079849308 VJYSHAUPZVFMEI-KRWDZBQOSA-N 436.350 4.855 30 10 IJEE C=CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Br)C(=O)OC(C)(C)C 2124497039 XPIUUDQMTMIALF-UHFFFAOYSA-N 437.256 4.830 30 10 IJEE Cc1cc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)ccc1NC(=O)OC(C)(C)C 2124514136 FFOIFHHEQINGPA-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE Cc1sc(C)c(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1Br 2154093030 MYTLPZAXTKAXBN-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE CC1(C)C[C@H](C(=O)Nc2cc(Br)ccc2C#N)CN(C(=O)OC(C)(C)C)C1 2181106415 WAHSLWHZUWXHPW-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C1CC1)C(C)(C)C(=O)Nc1cc(Br)ccc1C#N 2181110416 NHSLNAFCXLOXLC-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190480013 XZMZQHLXQGKOKP-RFRHCEIRSA-N 447.428 4.802 30 10 IJEE C=C(Cl)[C@H](O)Cc1sc(Br)c(Br)c1Br 2209978291 XEHKRAZHEJPEEU-SCSAIBSYSA-N 425.367 4.692 30 10 IJEE C=CCN(CC[C@H](NCCC)c1cc(Br)nn1CC)C(=O)OC(C)(C)C 2224258739 LMWIIASYZFEJCV-HNNXBMFYSA-N 429.403 4.519 30 10 IJEE O=C(C#Cc1ccc(Cl)cc1)c1ccc(I)c(Br)c1 2231084997 OUBDFHVHGBOFKK-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)cc1OC 2231187254 UIZBRNNQDPBTPO-SJLPKXTDSA-N 427.383 4.968 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2235717661 BTDWWDSKPWLHQB-WSTZPKSXSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2235728382 LNNMCYGYKURVQU-LNKGRISISA-N 435.406 4.670 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237423201 JAUJTTMGBSZQMY-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE Cc1nc(C(=O)N(Cc2ccccc2)CC2CCCC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255640037 ITTZWVPFEXRJJI-UHFFFAOYSA-N 440.418 4.583 30 10 IJEE CC(C)(C)OC(=O)NC1(c2cccc(NC(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)c2)CC1 2267581253 OYUKUNWBZLMLHM-ZWKOTPCHSA-N 442.365 4.621 30 10 IJEE CC1(C)OB(c2ccc3nccc(N(Cc4ccccc4)C[C@H]4CCCO4)c3c2)OC1(C)C 2285399082 YJZRFJCXTMPUMN-JOCHJYFZSA-N 444.384 4.720 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](C(=O)C#Cc1cccc(Br)c1)C2 2296223506 AMKVCOJBAUXKTG-JENIJYKNSA-N 432.358 4.653 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1CCN1C(=O)OC(C)(C)C 2296271167 CTEQXGPZCJTXRR-UXHICEINSA-N 435.406 4.958 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](N)C#Cc1cccc(Br)c1 2296285701 CXVIOCMBUBXDNH-UFYCRDLUSA-N 435.406 4.657 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 2296564594 UZSBBXWOGWIEFH-HXUWFJFHSA-N 438.867 4.661 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccco2)c1 2322860168 YVAGZTJUPJAFMP-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE CCCCOc1c(OC)cc(C=Nn2c(S)nnc2C2CCCCC2)cc1[N+](=O)[O-] 2323482750 DJIJHLKIXOISEX-UHFFFAOYSA-N 433.534 4.592 30 10 IJEE CC(C)Oc1ccc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1Br 2323544177 XKKZWNOYZXFESM-UHFFFAOYSA-N 449.349 4.729 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccc(N(C)C)cc1)C2=O 2325198557 QSDLBYPZAHEJBU-UHFFFAOYSA-N 436.552 4.705 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2cccc(C(=O)OC(C)C)c2)cc1OCC 2325649022 OEJPXZQKXSWFMG-UHFFFAOYSA-N 439.508 4.660 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 2325722099 KCPYYYHFDAQXFV-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)cc1 2328386481 XLAMSMYTPMBVIX-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE Oc1cccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2cccc(F)c2)c1 2329175605 LVGCHJFJYDAIIU-UHFFFAOYSA-N 448.523 4.919 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(C)cc1 2329459699 FFFZNWDBFRYLAO-UHFFFAOYSA-N 436.581 4.722 30 10 IJEE CC(=O)N1CCc2cc(C(=NOCC(=O)OC3CCC(C(C)(C)C)CC3)C3CC3)ccc21 2330344016 PLMPHJHHMHGYQR-UHFFFAOYSA-N 440.584 4.874 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2cccs2)cc1C 2331488732 UBBXXGSJDGAPSN-UHFFFAOYSA-N 425.583 4.837 30 10 IJEE CCOc1cc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)ccc1O 2331501223 YJTQJUZJXREHJM-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccco2)n(-c2ccc(Cl)c(Cl)c2)n1 2331684563 SPTVHPARLKIBKQ-UHFFFAOYSA-N 444.322 4.997 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3CC)nnc2C2CC2)c1 2331726343 ZWJWHLTXOFJEDR-UHFFFAOYSA-N 449.580 4.730 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)cc(C)c2OC)ccc1OC(=O)CCOC 2331758596 ZQBCBICGRCJSSR-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339581540 KKXXXZPMDHVUQE-YLZCUGDYSA-N 442.365 4.505 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339595681 KPKFBEKJZUGALS-UCMOUWFMSA-N 443.397 4.830 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2342481291 RVQVWDVIJAIRSM-DEOSSOPVSA-N 444.381 4.661 30 10 IJEE CC[C@@](C)(COCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)C(F)F 2377289543 DHSZFDPHEZXMFD-IBGZPJMESA-N 433.142 4.946 30 10 IJEE C=CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCC1)CC2 37603046 BMMZJMGPVRBWAJ-CLJLJLNGSA-N 446.591 4.811 30 10 IJEE C=CCc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c(OC)c1 40196549 LDTOPNQXOOASRM-SFHVURJKSA-N 445.519 4.936 30 10 IJEE CC(=O)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1 59186163 IHBNLHWZEKMEAU-NDENLUEZSA-N 432.457 4.739 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccc(C(C)(C)C)cc1 169975512 ITQLYWZHSDOAMQ-HSZRJFAPSA-N 449.547 4.534 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(C)(C)C)cc1 169975704 VFNNSHMXUCEVRN-OAQYLSRUSA-N 440.971 4.777 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(OC(C)C)c1 169980066 IYSAIWXPWNNVSN-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1 170155992 JTXJPSGIZRVFKW-IBGZPJMESA-N 427.428 4.818 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)c1 170167945 BTFJXKRKNYICSL-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccn2)c1C 170172933 BRJNNWOPWSYIEM-FYSMJZIKSA-N 440.499 4.805 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccn2)c1 170182336 HLZPHNXCRBSSTK-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc3ccccc23)cc1C 170220592 PXENHLVMYNSMPS-XMMPIXPASA-N 445.515 4.772 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2)cc1C 170222504 TZQQPNRQDKZELC-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1C 170292743 ICWUKAGBAWBPMI-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)c1 170305076 XNKZZRKVZUOTMO-QFIPXVFZSA-N 428.444 4.641 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1c(C)[nH]c2ccccc12 170311850 SBAJTFTZANKCAN-QHCPKHFHSA-N 448.519 4.872 30 10 IJEE O=S(=O)(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1 254619852 GFITXLBCILVZNU-UHFFFAOYSA-N 434.492 4.870 30 10 IJEE CC1(C)OB(c2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc2F)OC1(C)C 404903340 AMZSLFVNECLULZ-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1 434972563 HYYBNQZAXRXTKB-INIZCTEOSA-N 432.499 4.737 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3C#N)c(Cl)c1)[C@H]2C 439869407 CNPMQLAJNZGSBO-HNNXBMFYSA-N 435.915 4.936 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](CC)c1c(C)nn(C)c1C 466288970 MTMPFVWSPAKZTF-SFHVURJKSA-N 437.357 4.787 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 489738415 CJHMALZOXZALMZ-RTBURBONSA-N 446.535 4.712 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 508947881 YLVUAYJFZOPAED-XWGVYQGASA-N 430.552 4.712 30 10 IJEE COc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1OC 526519594 CHZXLQBEIMSEDE-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE O=C(O)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 526825863 MNHWJPHVBFGLPZ-YSMPRRRNSA-N 446.507 4.881 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1 549248303 ORKAXYNHAYBCGV-UHFFFAOYSA-N 446.530 4.609 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(CN(C)C(C)C)CC1 555291175 UKFSXNGJKFMZDG-ZEQRLZLVSA-N 437.632 4.656 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(COc2ccccc2F)n1Cc1ccccc1 573865189 HCTPDVRXBFEYQA-UHFFFAOYSA-N 427.483 4.553 30 10 IJEE COc1ccc(OC)c(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)c1 586197753 XSUHKIRJAVYHLE-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1cc(Br)c(Br)s1 698280013 MHVVCCPPERQXDU-JTQLQIEISA-N 440.201 4.696 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C2)cc1 698982589 BZFDRKVXXJJNEU-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3cccs3)N(CC)C2=O)cc1 726419121 CRFPOLMRBHLQCU-KHDQXZKSSA-N 431.583 4.557 30 10 IJEE COc1cc(-c2cc(C(=O)N[C@@](C)(C#N)CC(C)C)c3ccccc3n2)cc(OC)c1OC 726943452 ITFOQMLWFIVRJT-AREMUKBSSA-N 447.535 4.986 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1)c1ccccc1 757762338 OMVXIHIFNIMPJT-FDFHNCONSA-N 425.573 4.572 30 10 IJEE O=C(Nc1ccc(NC(=O)[C@@H](F)C(F)(F)F)c(C(F)(F)F)c1)c1ccc(F)cc1 788127254 APMVSJUSNKFZRK-CYBMUJFWSA-N 426.263 4.936 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 789718004 CXUQUFGWGXEKKW-UHFFFAOYSA-N 430.495 4.736 30 10 IJEE CC(=O)N1CCC[C@H](Cn2c(-c3cc(C)[nH]c3C)csc2=Nc2ccccc2C#N)C1 795032232 CYQVFBIPZSUJIH-IBGZPJMESA-N 433.581 4.524 30 10 IJEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 800777164 UCDQZYBTWOUWFI-INIZCTEOSA-N 439.585 4.551 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 800780973 QAQHYIGCKURWBE-UHFFFAOYSA-N 425.323 4.808 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C#N 917702827 VYBGTXVDCBELPE-QFIPXVFZSA-N 440.528 4.858 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)o1 1084467462 VOXKJCIRMSLJTK-UHFFFAOYSA-N 439.328 4.580 30 10 IJEE C=CC[C@@]1(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)CCCN1C(=O)OC(C)(C)C 1124548582 XZUNRJCMDVPIIM-VWLOTQADSA-N 439.556 4.878 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@@H]2C[C@@](C)(OC)C2(C)C)nnc1-c1ccc(Cl)cc1 1126449839 UUSNIKPVQAKVRJ-VGOFRKELSA-N 449.020 4.539 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccccc2C)c1C(F)F)c1ccc(Br)cc1 1129610389 KGBDPTJYURKXMD-QGZVFWFLSA-N 444.279 4.985 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CC)Cc2nc3c(s2)C[C@@H](C)CC3)cc1OC 1135012343 LUUCKQMXOKTEST-KQPPXVQYSA-N 426.582 4.903 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 1137860946 UPHFFNHNULBERE-VGSWGCGISA-N 425.573 4.699 30 10 IJEE C=CC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1161890513 OOEVHHBHEWQBHB-UHFFFAOYSA-N 427.353 4.797 30 10 IJEE C#CCN(c1cc(Cl)nc([C@H]2CCCO2)n1)[C@H]1CCOc2ccc(Br)cc21 1162525357 RGGDECQMBPWQSD-DOTOQJQBSA-N 448.748 4.707 30 10 IJEE C#CC1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)CC1 1163013535 BMUBCEDMZQVGTR-RUZDIDTESA-N 444.575 4.812 30 10 IJEE C#C[C@@H](CC)NC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1211000154 YVCRVSMDLAACTR-QFBILLFUSA-N 436.408 4.865 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@H](CCC(=O)OC)CC2CCCCC2)cc1C#N 1216074947 AJODECCYFYYNCD-GOSISDBHSA-N 444.532 4.540 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(C)cc2)cc1 1216246135 SWJJMOUJKZURCD-UHFFFAOYSA-N 426.476 4.774 30 10 IJEE C#CCOc1ccccc1CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(C)c1 1265223757 DLPFPHJVUDNKGZ-RRPNLBNLSA-N 438.571 4.539 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccc(F)c(F)c1 1269598857 AALUMDCGYOAMMB-LJQANCHMSA-N 432.268 4.960 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C 1270143358 ATRGEXNZBNQDQL-UHFFFAOYSA-N 436.249 4.879 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC2(CCOCC2)C1 1286454041 ZAKRVLMLPVUNDJ-UHFFFAOYSA-N 445.032 4.890 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cn3ccccc3n2)n1CCC=C(C)C 1286457880 GQVQDNHQRZPRNM-UHFFFAOYSA-N 442.542 4.652 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1ncc(CC)s1 1286605550 OEGHJTHARNTGCS-UHFFFAOYSA-N 448.596 4.741 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1286621635 LRVLCPDFWHFJQI-UHFFFAOYSA-N 448.354 4.708 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](OCC)C1 1286668805 VCPVJXDWAXMLNL-HXUWFJFHSA-N 434.588 4.943 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1C 1286703653 FQQATKURZIXLAB-UHFFFAOYSA-N 449.386 4.808 30 10 IJEE C#CCN(C(=O)c1cc(C)n(CC2CC2)c1C)[C@@H]1CCOc2ccc(Br)cc21 1293513772 PXPWDHOCSFKVNI-OAQYLSRUSA-N 441.369 4.877 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](CCOC)C1 1300385741 DIMBLIABAUAVIH-IBGZPJMESA-N 435.597 4.653 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1300408281 IGHZBIKEBAVSEW-FQEVSTJZSA-N 443.389 4.690 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(C=C)cc1 1300642940 FCXLYBXQBMCJHR-QFIPXVFZSA-N 449.599 4.695 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)(CC)C1 1300742472 KCVITILADXMIFO-HXUWFJFHSA-N 433.419 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1csc(CC)n1 1300786708 HMEQWWVNXVDECV-WAIKUNEKSA-N 439.560 4.617 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)CN1CCCCC1 1301309935 IWZKQUJRJNLXGH-GOSISDBHSA-N 434.053 4.968 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCc1sccc1C)C1CC1 1301316011 GZIMKJCJEZCBAK-UHFFFAOYSA-N 432.391 4.803 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)CN(C)C 1301374558 BGYXCKWWAJGGQK-SFHVURJKSA-N 427.662 4.898 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCC(F)(F)C1 1301422166 ATQXOUXTTGUYFU-QGZVFWFLSA-N 443.498 4.674 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2cccc(C)n2)C1 1301565088 CYQXKGKQCPSRMN-QFIPXVFZSA-N 449.624 4.606 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1 1310195589 AGKZEFPCRRRTSM-HXUWFJFHSA-N 442.441 4.798 30 10 IJEE CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1310247569 BCKNQNDSFHDHBU-ZJSXRUAMSA-N 439.487 4.520 30 10 IJEE C#C[C@H](NC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1)c1ccc(F)cc1 1312933659 CYYKRFYBKKMARH-IBGZPJMESA-N 443.316 4.789 30 10 IJEE CCN(CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@@H](C)C#N)C1CC1 1313804330 GGFVRPLJELLCHG-HNNXBMFYSA-N 443.020 4.893 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cc(-c3cccc(C)c3)nn2-c2ccccc2)cc1C#N 1337638638 YDOSUPQCDIUZIN-UHFFFAOYSA-N 441.516 4.794 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(F)c(Br)c3)cc2)nc1 1357156750 IABWODUAZYBHKW-UHFFFAOYSA-N 426.245 4.828 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(OC)c(Br)c(OC)c2)cc1OC 1357718900 KZQYPXIGZFCMAT-CLFYSBASSA-N 448.313 4.692 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCOc2cccc(C)c2C)c(C(=O)OCC)c1C 1357806082 NSEQLZAHPZHDHW-UHFFFAOYSA-N 445.537 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)Cc1cccs1 1358871053 ZEOKMQNBLNSMRZ-LPHOPBHVSA-N 435.597 4.545 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359156031 RVGKGRQBPLSREF-RHSMWYFYSA-N 428.886 4.861 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1359168370 RETFDHIJMFQJFX-XMSQKQJNSA-N 428.964 4.648 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[C@@H](F)C2)CC1 1359181956 NINMWMXGSZCTOO-AQNXPRMDSA-N 447.599 4.891 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@@H](C)C1 1359260294 ZDTBMMQOXKKQBM-VQTJNVASSA-N 437.563 4.821 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)c1c(C)noc1C 1359265907 OHZGCCHJERHUAW-GOSISDBHSA-N 448.571 4.734 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccc(Br)o1 1359285277 VENNCEUEJZCGSC-UHFFFAOYSA-N 437.725 4.785 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccccc2)C(=O)Cc2ccccc2CC#N)C1 1360088159 CIUGXPARZODJHW-XMMPIXPASA-N 447.579 4.723 30 10 IJEE N#Cc1sc(NC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)nc1Cl 1436221860 IEBLMJLVBONSRG-UHFFFAOYSA-N 446.960 4.874 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 1440882652 PLPJOPRNZVFQPW-UHFFFAOYSA-N 431.558 4.679 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccc(F)cc1 1450076951 FHXQYYKSVUTRPX-NRFANRHFSA-N 436.280 4.924 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cccn3ncc(Br)c23)c1 1455946597 BDBGZEISNPKVJV-UHFFFAOYSA-N 430.305 4.925 30 10 IJEE C#C[C@H](NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)c1ccc(Cl)cc1 1460784368 AMSSEKUOSOBAOW-KRWDZBQOSA-N 426.925 4.893 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)OCc2ccccc2NC(=O)C2CC2)c1 1461252221 FGBRBBXTBDBXMV-UHFFFAOYSA-N 426.472 4.843 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 1468842476 AOZMCPXGCJFEJF-FQEVSTJZSA-N 429.358 4.931 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 1469272965 AHEITWIKRGYKLR-UUOWRZLLSA-N 442.519 4.670 30 10 IJEE Cc1ccc([C@@H](NS(=O)(=O)c2ccc(CC#N)cc2)c2ccc(F)cc2Cl)cc1 1474952371 DZEUFJOHJMELLC-JOCHJYFZSA-N 428.916 4.922 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)CC1 1476044466 LXMKJRRYVFSFSH-UHFFFAOYSA-N 435.421 4.856 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)Sc1ccc(Br)cc1 1478010439 KVJHAMURRFJADY-RHSMWYFYSA-N 427.408 4.600 30 10 IJEE C#CC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1ccccc1 1478246730 WNSGGHCKSXUQFQ-QFIPXVFZSA-N 433.552 4.938 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@](CC)(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1478897115 VHEXRQIDOKGSRG-GCJKJVERSA-N 449.389 4.667 30 10 IJEE C=CCCC1(CNC(=O)N(C)Cc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)CCCC1 1478967092 GIVGXGYEGDXMMR-SZPZYZBQSA-N 427.633 4.964 30 10 IJEE Cc1cccc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)n1 1492528072 CSDPTJZDNWOLAL-DFBJGRDBSA-N 448.546 4.633 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CC#N)N(C)C 1496627731 DHBOMFFFGRBQGG-DVECYGJZSA-N 447.631 4.907 30 10 IJEE CC[C@@H]1c2ccsc2CCN1c1nnc(-c2cccc(C#N)c2)n1CC(O)(CC)CC 1499383375 BCWPGHOIUMYHQE-HXUWFJFHSA-N 435.597 4.943 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1csc(C)c1 1507524256 VDMKOLPRGBBHPF-CQSZACIVSA-N 429.387 4.892 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1507679609 ONQSNLHILKEBDS-JQVVWYNYSA-N 445.007 4.982 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@H]1CC 1507748511 ODFYHFOWKHFHRA-MAUKXSAKSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H](OC)[C@H](C)CC 1507761200 KSJUHRIRISIHFY-GTCCEBARSA-N 445.405 4.761 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCO[C@@H]2CCOC2)CC1 1507898324 XAZHDGHEALBNCT-HSZRJFAPSA-N 438.616 4.841 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1507909306 ZXOUOHYSLIMBQQ-WZONZLPQSA-N 426.605 4.937 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1507917264 MVDJTIFPWHBQFY-UHFFFAOYSA-N 437.632 4.786 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1507968241 RDBYONFNPWOPTR-KKSFZXQISA-N 432.515 4.514 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCC1(C)C)C1CC1 1507988164 JWATVAKMPAKVIL-GOSISDBHSA-N 440.588 4.952 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCCN1CCC(C)CC1 1508008832 IXQBXVIZABSHKK-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@H](C)N(C)C1CC1 1508009717 XRLXISPFIZKBBR-QGZVFWFLSA-N 425.577 4.821 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@@H]1C(=C)C 1508011572 HVCQHOWWTSFOSP-CRAIPNDOSA-N 449.418 4.929 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1508065450 BEEZQZGJNPRXGZ-NRFANRHFSA-N 438.597 4.907 30 10 IJEE C=CCSCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C 1508168829 UOLRXDIIQJZVMC-WOJBJXKFSA-N 444.649 4.856 30 10 IJEE C#CCOc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 1514571469 QNBRQGHIYZWGBR-DEOSSOPVSA-N 433.891 4.643 30 10 IJEE CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H](C)NC(=O)OC(C)(C)C 1515746043 AFBKRSNPXKTSSX-HRAATJIYSA-N 438.528 4.869 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cc(OC)c1OC 1516116147 DAIOLEURBDODCK-ZDUSSCGKSA-N 436.321 4.695 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)CCc2ccc(OC)cc2)s1 1519302246 CCXXCZDNZUVOFI-CQSZACIVSA-N 425.019 4.985 30 10 IJEE C=C(C)COc1cccc(NC(=O)C2(c3ccc(I)cc3)CC2)c1 1520532443 DKVDLEPNVHXXMU-UHFFFAOYSA-N 433.289 4.916 30 10 IJEE C=CCN(C(=O)/C(=C\c1ccccc1)C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1522961733 YPGCZXZEGJLTAD-ICFXLVBESA-N 431.454 4.821 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c(C#N)c1C 1522996285 DUPJMLQFVKXRKK-UHFFFAOYSA-N 448.548 4.947 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)C(C)(C)C)cc1 1523656919 HQGHGOQWIQYWNU-HSZRJFAPSA-N 443.609 4.597 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 1524108307 IYDHEBGPWOVRHX-HJUABHRKSA-N 426.586 4.572 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 1525276318 ALMZMBDFMBHXRB-QFIPXVFZSA-N 439.284 4.744 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Oc1ccc(OCc2nc(C(C)(C)C)no2)cc1 1532338705 HEWYYWSGVXCBOQ-UHFFFAOYSA-N 438.480 4.739 30 10 IJEE C#CC[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccccc1 1534188695 ZXHGBZCPZSHIAG-AREMUKBSSA-N 435.527 4.971 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c3ccc(F)cc3)cc2n1 1536229714 GMUWOKZBIZILLM-FQEVSTJZSA-N 438.503 4.608 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C(F)(F)F)cc1 1536397848 GJKWNWOUXMVOHY-MRXNPFEDSA-N 432.364 4.710 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC)c1ccccc1 1537431125 XMGYTYMRAHIWGJ-DEOSSOPVSA-N 437.499 4.661 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3c4ccccc4OCCN3C(=O)OC(C)(C)C)cc2n1 1538315598 GUDOQTXIVYLMDA-QFIPXVFZSA-N 448.523 4.532 30 10 IJEE C[C@](Cc1cccc(Br)c1)(NC(=O)COc1ccc(C#N)cc1)c1ccccc1 1539082089 HITVVJGMJKJUGM-XMMPIXPASA-N 449.348 4.974 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1539082762 ZTSGTJKSOHQXGH-HXUWFJFHSA-N 432.490 4.671 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCC[C@@H](COC)C1 1539102102 SUGFYLJJQGVQHX-RTBURBONSA-N 426.630 4.798 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(OC)CCCCC1 1539343447 JXLWCRVSGRBGBZ-GOSISDBHSA-N 430.980 4.880 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CCC1 1539382447 JICRLYSQIGEWIG-UHFFFAOYSA-N 439.412 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1539549732 QQFKDWKRXIDXPK-KCVHQNEMSA-N 436.600 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1539615497 JKIBAVMECUQANT-UARRHKHWSA-N 438.616 4.987 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC1CC1 1539616016 MZKYHNVHXCMAEE-KPLVRAHFSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCC1CCOCC1 1539652520 WTFMCJQCBUZVMI-UHFFFAOYSA-N 434.588 4.944 30 10 IJEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)O[C@H](C)c3ccc(C#N)cc3)ccc2Cl)C1 1539790203 DVECUQCGQHXAPT-HZPDHXFCSA-N 446.956 4.550 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(C)C 1539801539 CBKPTYJZTUQURU-QGZVFWFLSA-N 426.005 4.627 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2c(CC)noc2C)CC1 1539831087 CPKFCZIVUFZNEK-UHFFFAOYSA-N 442.361 4.771 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1539860004 ZVXTYKFQCOUAGL-XMMPIXPASA-N 426.630 4.976 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1CSC)c1ccccc1 1539939598 JELUCUPPGMUTLP-FSSWDIPSSA-N 426.630 4.864 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccsc1 1540128123 JCJGHPDFKJYLOK-XMMPIXPASA-N 435.597 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1540153630 IYBNLEWFKXCQRX-XUZZJYLKSA-N 446.599 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1OC 1540162080 LFVLUOVQYOTRMU-QFBILLFUSA-N 431.378 4.701 30 10 IJEE C=CCCCCCN(C)C(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 1544205169 XRLGBNNJOQZTLX-CQSZACIVSA-N 427.330 4.908 30 10 IJEE Cn1nc(C(F)(F)F)c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1Cl 1544518952 DYCCOHRXZXZGDD-UHFFFAOYSA-N 434.805 4.795 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NCCc2ccccn2)cc1)c1ccc(Br)cc1 1556781606 JSZHFWNKSPSZRN-QFIPXVFZSA-N 434.337 4.603 30 10 IJEE CCN(CC)CCOc1ccc(CNc2c(Br)cccc2C#N)cc1OC 1559074812 GRDHLHLBOCFRKX-UHFFFAOYSA-N 432.362 4.662 30 10 IJEE C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCN([C@H](C#N)c2ccccc2)CC1 1559613568 BIBVMVGCPKPMST-PXDATVDWSA-N 440.547 4.688 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)c1ccc(Cl)cc1F 1563687147 HZXJHNKQZROEFJ-YADHBBJMSA-N 443.950 4.688 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 1564428918 JWVRKMXNYNEAPI-FQEVSTJZSA-N 425.548 4.981 30 10 IJEE Cc1ccc(-n2nc(C(C)C)cc2NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 1565830093 DYRFIMFPVKZOFL-UHFFFAOYSA-N 429.524 4.923 30 10 IJEE C=CCn1c(SCC(=O)N(C)CCCc2ccccc2)nnc1-c1ccc(Cl)cc1 1584166761 LTXDVLGWINLMNC-UHFFFAOYSA-N 441.000 4.968 30 10 IJEE N#C[C@@H]1CCC[C@@H](OC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 1584702542 DHTZRXLUHYLAFK-AUUYWEPGSA-N 427.298 4.941 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)c1ccc(F)c(F)c1 1585439433 SBKYONIIHLJTDV-OAQYLSRUSA-N 429.417 4.965 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(OC)CCCCC1 1587561390 DUODCTRVGDICJP-MSOLQXFVSA-N 430.980 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)CN1CCCCC1 1589150817 LUUQPMKIBGJHME-LSCGWGKXSA-N 433.644 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1589185671 GIIYQTWBVRMEOV-FQRUVTKNSA-N 449.599 4.584 30 10 IJEE C=C(Br)Cn1c(CC)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1589421029 CPDRVPHRJIXCBE-HNNXBMFYSA-N 446.176 4.634 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC[C@](C)(CC)O1 1589608125 BZMQLOULELVCKI-UZLBHIALSA-N 436.398 4.786 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)C(C)C 1589615196 MYUQVUJEEVNWCY-OAQYLSRUSA-N 435.410 4.825 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1594644526 CJHZTABWMCZOQW-ISKFKSNPSA-N 436.648 4.711 30 10 IJEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(C)(C)C)C1 1594824563 LHNNXNKWGLLGJT-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1CCN1CCC[C@@H](C)C1 1595161897 PFIPHAKPMIWQNI-HXUWFJFHSA-N 427.662 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@H](C)C1 1595166262 RSFFYVOODSKAKR-JTJHWIPRSA-N 430.618 4.692 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1595191746 WRGVTGSTVLLIDB-ZJSXRUAMSA-N 442.991 4.991 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCC(C)CC1 1595244011 OISVUQCGJPRUPG-FQEVSTJZSA-N 437.588 4.795 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCC(F)(F)C2)C1 1595743474 BJSBJSJPJWGSBU-CTNGQTDRSA-N 446.542 4.691 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2)C1 1595895681 OCVFYMRDBHMYGV-IBGZPJMESA-N 425.627 4.547 30 10 IJEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCCC2(F)F)cc1 1619188340 BOLBDJWJQSUJEI-IBGZPJMESA-N 429.515 4.909 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)OC 1625906300 AXRXWSPZMCCVMN-UHFFFAOYSA-N 434.492 4.908 30 10 IJEE C=CC1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)CC1 1633600181 LDQSVKJVPIUTQI-UHFFFAOYSA-N 432.973 4.796 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1637540437 WSPNESXXMMSFAO-FKVLARQCSA-N 443.588 4.882 30 10 IJEE Cc1nc(SCC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c(C#N)c(C)c1C 1642110802 DLINHZGNELXYCW-SFHVURJKSA-N 438.380 4.517 30 10 IJEE N#Cc1cccc(Oc2ccnc(N3CC[C@H](Cc4ccc(Br)cc4)C3)n2)c1 1651087367 HGNPSWRFBSCHIN-GOSISDBHSA-N 435.325 4.972 30 10 IJEE CC(C)[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(Cl)cc1 1653495460 CJHLRTJVQVOONS-QGZVFWFLSA-N 427.751 4.650 30 10 IJEE C#CC1CCN(CC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)CC1 1654001739 KKVNYVGCLNICFU-UHFFFAOYSA-N 430.957 4.529 30 10 IJEE C=CCc1cc(C(=O)Nc2[nH]nc(COC)c2-c2ccc(Cl)cc2)cc(OC)c1OC 1654253550 UAUGHDKHKBMUMP-UHFFFAOYSA-N 441.915 4.875 30 10 IJEE C[C@H](Cc1c(Cl)cccc1Cl)NS(=O)(=O)c1ccc(C#N)c(Br)c1 1654812897 ANFHOWXCCKQCIQ-SNVBAGLBSA-N 448.169 4.537 30 10 IJEE C=CCc1cc(CNc2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(OC)c1O 1657756951 ZVDTXEYCOQVABI-UHFFFAOYSA-N 442.560 4.510 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N(C)C(=O)OCC)cc1)c1ccc(Br)cc1 1666274020 ZIFCGLIZJUQMIE-SFHVURJKSA-N 430.302 4.538 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1 1672276826 FBWMVDFGBXWIIK-UHFFFAOYSA-N 442.581 4.899 30 10 IJEE C=CCCC[C@H](C)NC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1680750715 OGSQIUMGNMIHMG-FQEVSTJZSA-N 429.605 4.999 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC 1683069273 VJGLDNJYZZQSSI-HSZRJFAPSA-N 435.568 4.660 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 1683457050 HVOQSRFYMXGNIA-GDBMZVCRSA-N 427.998 4.887 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 1685157566 UELWIVMSVZXKTP-UHFFFAOYSA-N 446.016 4.580 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@@H](O)C1 1689828304 NEOPHMOWBVJGPB-VNYTWHDVSA-N 445.007 4.697 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(Cl)cc1 1689837942 PNNRLPYILDSLAX-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CC(C)(C)C1 1689841388 FRNGFWCVIMMVIS-CQSZACIVSA-N 431.378 4.610 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)N1CCC[C@@H](C)C1 1689950861 DSWRBFQDTAFVEH-RTBURBONSA-N 439.673 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 1690241300 QWOPODWCJJYCLL-RFWXGWTQSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 1690299560 XMXQKCQMBDTULC-OAQYLSRUSA-N 439.604 4.612 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1690328064 DTDSMDZVICDTTP-IRFCIJBXSA-N 430.980 4.935 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1690372216 FHWOXGYCQKJYKO-DEOSSOPVSA-N 430.600 4.670 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](CC(C)C)N(C)C)CC1 1690412231 JESVFUOLDOSDAE-LJQANCHMSA-N 431.575 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690422504 QOSYMFHQOXWBEA-UHFFFAOYSA-N 444.023 4.942 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690457256 UCAVYWFQBUJTKI-FQEVSTJZSA-N 436.560 4.694 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCc1csc(CC)n1 1690559454 FZFFCISXUGMNOB-UHFFFAOYSA-N 443.580 4.599 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@@H](C)c1c(C)noc1C 1690561176 GNGZFZCWJWQLSN-QGZVFWFLSA-N 430.556 4.703 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1690581564 ULSKIEVVDHDAHK-ZEQKJWHPSA-N 432.616 4.774 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 1690700375 RIGNTAWPDRURPF-XDNAFOTISA-N 428.499 4.595 30 10 IJEE 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CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(Cl)c1 1862432846 OCSDIGLEZCDUHT-IBGZPJMESA-N 434.319 4.997 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC)c1 1862461271 BCMYUERYPBOEEC-HXUWFJFHSA-N 433.426 4.881 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1F 1862477921 VQLCKWRKPGDXLC-QFIPXVFZSA-N 442.506 4.583 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(F)c2)c1 1862488853 JREJPZXZEZQRQF-QFIPXVFZSA-N 425.500 4.836 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccccc2C(=O)O)cc1 1862519882 VORHRMLEMXZXKZ-VFNWGFHPSA-N 437.492 4.550 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccc(Cl)c1 1862569283 JJEBRHCDECPVPY-RNODOKPDSA-N 429.900 4.734 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1862582323 BGQKIBXHAKYHHG-QGZVFWFLSA-N 434.275 4.680 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 1862672977 JBAMBITWJKAPRD-QFIPXVFZSA-N 435.426 4.622 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC(C)C)cc1OCC 1862684301 UBIVPGWGTLZNFE-QFIPXVFZSA-N 441.499 4.857 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1C 1862698228 DKGZKTPMYNNQPE-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C)cc2)cc1 1862698768 NKXHPMVNKOHNGG-XMMPIXPASA-N 443.499 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccccc1F)c1ccc2ccccc2c1 1862716130 YWQIBGUTMBQCRP-HSZRJFAPSA-N 433.479 4.720 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1c(F)cccc1Cl 1862719265 JULVJNIIAZADDU-LRTDBIEQSA-N 439.870 4.591 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(F)cc2F)C1=O 1863656963 CYSOAPSHDVZISB-IBGZPJMESA-N 448.554 4.954 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(CCCCCO)C1=O 1863696731 TZYUOVZCJXFPHN-UHFFFAOYSA-N 444.616 4.666 30 10 IJEE N#Cc1cccc(C(=O)N(c2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)c1 1865851132 VODAOBMACGFYEK-UHFFFAOYSA-N 439.515 4.598 30 10 IJEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868242777 RMSOMWVGQLXTKX-LJQANCHMSA-N 427.508 4.938 30 10 IJEE N#Cc1nnn(-c2ccc(Nc3ccccc3)cc2)c1NC(=O)c1ccc(F)c(F)c1F 1870149642 ZZQLXDVLVSCRNN-UHFFFAOYSA-N 434.381 4.552 30 10 IJEE C=CCOc1cn(CC(C)C)c(CSc2nc3ccc(OC(F)F)cc3[nH]2)cc1=O 1870243894 OPYYNYHMNYEJOX-UHFFFAOYSA-N 435.496 4.839 30 10 IJEE CCCCCCCCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CN1CC(O)C1 1870379294 HALMCDVLVWJFAU-UHFFFAOYSA-N 440.628 4.890 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(CC)cc2)cn1CCCOC(C)C 1870467764 ZNJQCPGMCYPDEB-UHFFFAOYSA-N 438.612 4.979 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871407699 YOVUGMZJMOTBQG-GGNAWJQTSA-N 443.455 4.746 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2C)nc(Nc2ccc(OCC)cc2)[nH]1 1871529333 SMPWUWNAJASQJX-UHFFFAOYSA-N 430.556 4.535 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1)S(=O)(=O)c1cccs1 1871899269 GKNMZSGCAHBIMF-JOCHJYFZSA-N 440.590 4.922 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(Cl)cc1 1872104683 SKGFGIKBLMBVIS-OAQYLSRUSA-N 445.972 4.805 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1c(C)cc(C)cc1C 1872152134 SEBYGDOBEAGPHH-PGRDOPGGSA-N 428.598 4.842 30 10 IJEE CCCCCCCCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCN(C)C)C1=O 1873129101 CYANVYVIPAJEEX-UHFFFAOYSA-N 440.415 4.585 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873239527 PDOGWBODZXMADU-UHFFFAOYSA-N 426.316 4.501 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OC(F)(F)F)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330443 HQAMASJLWZIRKE-UHFFFAOYSA-N 430.426 4.888 30 10 IJEE COc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2/N=C/c2ccc[nH]2)cc1 1874292239 SXCCJISSHHOLIG-VULFUBBASA-N 447.564 4.985 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCC)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874333767 XNDPHSRHOALNHX-IERINAHZSA-N 443.617 4.566 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)cc1 1874350367 INYIUQXAIAWRTP-CVKSISIWSA-N 433.512 4.586 30 10 IJEE CCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(Br)ccc1O 1874396140 FLQQUDBMNWRWAZ-LNOXHEFASA-N 431.359 4.892 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1cccs1 1874477478 BVQHBDSCQOOFPM-HYARGMPZSA-N 427.599 4.858 30 10 IJEE CCCNC(=O)COc1c(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cccc1OC 1874584701 BGPFDYPEWJGWPN-ACCUITESSA-N 439.552 4.802 30 10 IJEE O=C(/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc2c(c1)OCCO2 1874597190 YUJQWJDDEVUICM-CSKARUKUSA-N 440.455 4.582 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)C1CC1 1874699738 KJQRSXWPOHKUPV-QPJJXVBHSA-N 437.236 4.947 30 10 IJEE CCCCCCCCC(=O)NCCCc1nn2c(COc3ccccc3)nnc2s1 1874796236 VTWRLDXAGALSTP-UHFFFAOYSA-N 429.590 4.564 30 10 IJEE Cc1c(-c2ccccc2)oc2c(C(=O)N3CC=C(c4cncc(C#N)c4)CC3)cccc2c1=O 1891566596 CNGXRLYORWGDNQ-UHFFFAOYSA-N 447.494 4.965 30 10 IJEE C=C([C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 1922985429 LVHLWTUKLOZISZ-FCHUYYIVSA-N 433.713 4.814 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)ccc1Br 1927790763 XMHRSKZXVDYJCR-AWEZNQCLSA-N 428.124 4.647 30 10 IJEE C=CCC1(C(=O)Nc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2060608931 OKJSWKZTPVQEFK-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE CC[C@H](C)[C@@H]1CSC(=Nc2cc(I)ccc2Br)N1 2081318712 GLCMQMHHWAQMTE-UFBFGSQYSA-N 439.160 4.792 30 10 IJEE CC1(C)OB(c2ccc(CNCc3ccccc3OCc3ccccc3)cc2)OC1(C)C 2094850298 WUGORBLMJWAIGG-UHFFFAOYSA-N 429.369 4.855 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)cc1F 2124521359 FYCBRWQLQPXQHU-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Nc1cc(Br)c(C#N)cc1F)C2 2193304430 ZYUVDKSDYCDGHX-RGXXSHLXSA-N 442.304 4.750 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2221560646 JIKPLFJRCJWJRK-JOCHJYFZSA-N 448.568 4.997 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)C(=O)C#Cc1ccccc1Br 2235730911 PRMCZTHOVIFRDZ-OAHLLOKOSA-N 448.279 4.852 30 10 IJEE Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C3(CCC3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241063677 RQQQECMBUYNCCK-JOCHJYFZSA-N 447.432 4.688 30 10 IJEE C=C(CN(C)C(=O)c1cc(CC)ccc1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2268642618 FZSRARMYMWPGIJ-UHFFFAOYSA-N 444.381 4.856 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@H](O)C#Cc2ccc(Br)cc2)s1 2278801946 PBORSKDAYUJKEH-OAHLLOKOSA-N 437.359 4.598 30 10 IJEE C=CC[C@@]1(COc2nnc(Br)c(C)c2C)CCCCN1C(=O)OC(C)(C)C 2287725184 KLBPDULVHJZDSV-FQEVSTJZSA-N 440.382 4.971 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@H](N)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296222617 UDXNOOLYPVHQCB-GCJKJVERSA-N 435.406 4.801 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2296223881 DWMQPWYDJCTVCM-RNQOJCNYSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](C(=O)C#Cc2ccc(Br)cc2)CC1 2296276897 MVZZNJPQQIPSPC-OQIWPSSASA-N 438.337 4.793 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2N=Cc2ccccc2OC(C)C)o1 2320991426 OASOFQZYRQLFBM-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE COc1cc(C=Nn2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1ccccc1Cl 2321884186 GHMQQKCIDITAKJ-SFHVURJKSA-N 444.944 4.542 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)OC(=Cc2sccc2C)C3=O)C1 2322378853 YSDPHJSSHAESJY-UHFFFAOYSA-N 426.582 4.865 30 10 IJEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1OCC(=O)NCc1ccco1 2322926813 MRMKABNRRWDEFT-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE CCCOC(=O)COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC 2323081337 UCZITSVBKAHGJO-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)cc(Br)c1OCCCO 2323503890 QAGZSUBDOFJPKZ-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC 2323999725 WNXIICRXMWBPQN-UHFFFAOYSA-N 445.943 4.857 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2324807463 HYXKIEMZMMEQCB-OAHLLOKOSA-N 449.459 4.627 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4nc5ccccc5s4)ccc3C2=O)o1 2325589983 VBWHOLNOILUXJO-UHFFFAOYSA-N 432.457 4.831 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2325739614 JRXFUUKMSGPSHG-UHFFFAOYSA-N 446.478 4.834 30 10 IJEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(F)cc2)cc(Cl)c1OC 2326238314 RSBRPNGRGZMILR-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccc(Cl)c1 2326870906 LKKZQGKOLNCLCY-UHFFFAOYSA-N 432.933 4.827 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(C(=O)O)cc1 2327976828 ANZCXJUNSUMBSX-UHFFFAOYSA-N 428.945 4.799 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccnc2)cc1 2328563771 SSUNEIQXHGKOKN-UHFFFAOYSA-N 447.539 4.976 30 10 IJEE CCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(N(CC)CC)cc1 2328682418 VTNZJYICPZFRRR-UHFFFAOYSA-N 437.613 4.912 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2N=Cc2ccccn2)cc1 2329252530 JRCVKCDPGWTWDT-UHFFFAOYSA-N 429.549 4.755 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1Cl 2330603390 QIUCUCASRZJSOB-UHFFFAOYSA-N 434.974 4.834 30 10 IJEE CCc1ccc(C(=O)C=Cc2cc(Br)c(OC(=O)CCOC)c(OC)c2)cc1 2330761883 NGGSOGNNWIZFME-UHFFFAOYSA-N 447.325 4.858 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)ccc1O 2330889217 ANPHUQZBJKHMHV-FQEVSTJZSA-N 438.553 4.717 30 10 IJEE Cc1cnc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C(C)C)cc3)cc2[N+](=O)[O-])cn1 2331498128 LIIHWYUQYZCJJF-UHFFFAOYSA-N 431.448 4.932 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCC1 2339534290 DJAXNGILUIXEFT-UHFFFAOYSA-N 443.397 4.976 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]1(C)CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339603043 UAEVDWOTMVJDES-XMMPIXPASA-N 444.381 4.895 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)S/C1=N\CCc1ccccc1 4124675 KBHSRPGAJOXYPX-NBGSVBRJSA-N 439.606 4.990 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3Oc3ccc(OCC)cc3)cc2C1=O 15325436 SIEDPRBCVIMVTD-UHFFFAOYSA-N 442.471 4.912 30 10 IJEE CCCOc1ccc(/C=N/Nc2cc(-n3nc(C)cc3C)nc(-c3ccccc3)n2)c(O)c1 20595449 UQFHKTGFTNELIC-WGOQTCKBSA-N 442.523 4.887 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2 20749271 SSHBKEXWFGRVLJ-FHAGJXEFSA-N 436.577 4.884 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 34954452 VRTQUYFUYKXBTO-JYRVWZFOSA-N 433.416 4.727 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)c(C)c(C#N)c2=O)cc1 38624159 NSNVSJQJUGZIPU-VQIMIIECSA-N 445.346 4.865 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1cccs1 59038871 QJUSSWLLYURLDH-ZVBGSRNCSA-N 441.369 4.740 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 103103803 YHLUVWYEUKHOCN-RKKARLDVSA-N 444.443 4.538 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc(Cl)c1OC(C)C 169896918 QUEKXGRIKDGFJB-CFRMEGHHSA-N 426.904 4.722 30 10 IJEE CCCOc1ccc(/C=N\n2c(COc3ccccc3)nnc2SC)cc1OCC 169916347 RLFMYOKPJAVLAO-HAHDFKILSA-N 426.542 4.649 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(C)c2)c1 169972855 ZJCDIXQNHHKKSA-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(O)c2)ccc1F 170082262 WHYLSKJAQIHKIQ-OAQYLSRUSA-N 439.389 4.901 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccco2)c1 170089849 NJWUHQCCUGGLKH-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OC)c1OC 170127248 RUFDKFPNWOILND-QFIPXVFZSA-N 435.520 4.571 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(O)cc2)cc1C 170132492 XDYYFTHQVUVNRK-QHCPKHFHSA-N 445.471 4.588 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2cccs2)c1 170139106 YGZAIFPGMKFODC-HXUWFJFHSA-N 434.473 4.743 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)ccc1Cl 170144513 JJQBNJFSDUWHGH-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccnc1)c1cc2ccccc2o1 170191495 AGCHCYOQEGVELA-OAQYLSRUSA-N 432.382 4.889 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1C 170204200 HWYCXVHICXAAKE-NRFANRHFSA-N 434.879 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 170229279 MMUJRNZBNAZUSH-JOCHJYFZSA-N 433.410 4.683 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccc(O)c2)c1 170259781 QZSXPFGRNNERAA-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265868 XQSCREUZYJAASY-FPOVZHCZSA-N 425.912 4.660 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccco2)cc1Cl 170282297 NHRLXFMLFWOJHS-IBGZPJMESA-N 427.815 4.864 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)c(OCC)c1 170283598 VNJVPDKURRNDAJ-JOCHJYFZSA-N 449.459 4.566 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccco2)cc1 170291226 ZUHPZWGXAAVXDR-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 170374788 OEIGSEMYVGCZOF-OAQYLSRUSA-N 433.847 4.852 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(OC)c(OCc2ccccc2)c1 170439042 FOOPTUXPUHDRRZ-DEOSSOPVSA-N 437.536 4.995 30 10 IJEE C=C(Br)COc1c(Br)cc(CNCCC)cc1Br 233096691 XKOGAOONYFXYKW-UHFFFAOYSA-N 441.989 4.999 30 10 IJEE Cc1nc(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C#N)c(C)c1C 253479575 RFMBKQFARGSNTG-UHFFFAOYSA-N 426.542 4.796 30 10 IJEE Cc1[nH]n(-c2ccccc2)c(=O)c1C(=NNc1nc2ccccc2s1)c1ccccc1 254515226 XBQTWOZWMSQJCK-UHFFFAOYSA-N 425.517 4.948 30 10 IJEE CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cccc(N2C(=O)CCC2=O)c1 254623453 LSJGXTGGSQMHAK-UHFFFAOYSA-N 435.549 4.730 30 10 IJEE Cc1ccc(CN2C(=O)C(=NNC(=S)Nc3cc(C)ccc3C)c3ccccc32)cc1 254668749 GWNJSISSLIFGHF-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@]1(C#N)Cc1ccc(I)cc1 390790103 FCWMUSDSLDIVRU-GOSISDBHSA-N 426.298 4.517 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 475545210 ANBZEBDELOCGNK-UHFFFAOYSA-N 444.579 4.939 30 10 IJEE Cc1nc(NC(=O)c2c(Br)cccc2Br)sc1SCC#N 494630999 HZORJQIGDRMGSQ-UHFFFAOYSA-N 447.177 4.845 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 495229846 KSVCJHVRSIYRFT-UHFFFAOYSA-N 439.585 4.613 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])s2)cc1 526516223 OREJZISIRWVUJY-NRFANRHFSA-N 447.472 4.984 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2c(Cl)cccc2Cl)o1 526830095 PCDISLOVXLAJCF-NKVSQWTQSA-N 439.324 4.838 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)OCCc1ccsc12 549693825 SLASPWDWBNBDIO-UHFFFAOYSA-N 434.609 4.883 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)OC2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 586505957 BKMGGWBMVCRKFD-UHFFFAOYSA-N 433.545 4.570 30 10 IJEE CCc1ccc(S(=O)(=O)OC2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)cc1 586506538 VHZZSOPXGZZILV-UHFFFAOYSA-N 436.961 4.741 30 10 IJEE CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCc1ccc(C#N)cc1F 609252305 ACWUMOGVGZYNDW-UHFFFAOYSA-N 427.867 4.523 30 10 IJEE N#Cc1cccc(OCCCCC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 609515522 FBTAFFUGHMYMEU-QFIPXVFZSA-N 443.950 4.853 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2)cc1 619820780 KPHOEGNRFFLCOH-FNZWTVRRSA-N 445.567 4.995 30 10 IJEE CCCOc1c(Br)cc(Br)cc1/C=N\[S@@](=O)C(C)(C)C 692030527 HWUNJCUQHBNMMR-MESSXYGASA-N 425.186 4.882 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 731076615 BKOSPADPYDPBKT-JLSDUUJJSA-N 428.941 4.877 30 10 IJEE CC(C)c1ccc(CSc2nn(CN3CCN(C4CC4)[C@@H](C#N)C3)c(=S)s2)cc1 732666270 NMYDGRQYKSEIHL-IBGZPJMESA-N 445.683 4.719 30 10 IJEE COc1ccc(CNC(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)cc1C#N 747423008 ONIMKVRHGJQCAW-UHFFFAOYSA-N 449.530 4.650 30 10 IJEE C#Cc1cccc(N(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)c1 788206861 BQLHOHJJVXODBF-LJQANCHMSA-N 427.932 4.644 30 10 IJEE C#CCOc1ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)cc1 788211351 YYKHLAGMOOSEDV-IBGZPJMESA-N 443.931 4.650 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1C#N 790284337 ZMMKAEDHFFJJNU-FQEVSTJZSA-N 436.512 4.624 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1Cc2ccccc2C(C)(C)C1 812179339 RYDYUXMELFMBLH-UHFFFAOYSA-N 445.567 4.578 30 10 IJEE CCOc1ccccc1NC(=O)CCSc1n[nH]c(NN=C(CC)c2ccccc2)n1 1084358151 LTJVKPQZJCHDQH-UHFFFAOYSA-N 438.557 4.551 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 1125756389 WNPJQXXFVWCZCH-UHFFFAOYSA-N 426.472 4.690 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)c1 1125778224 IAIGERZXGZXAME-UHFFFAOYSA-N 434.471 4.771 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)s1 1127054365 YEECEEGSOOYJSM-GOSISDBHSA-N 436.046 4.572 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(F)c(F)c1 1128249100 MSQSMYWQNRWWFV-QGZVFWFLSA-N 425.229 4.991 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)n[nH]2)c1C 1141434189 RGRGKKKTHSJBDJ-UHFFFAOYSA-N 438.963 4.972 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 1148743154 MNAWSIGDCBSLSD-QAPCUYQASA-N 428.907 4.707 30 10 IJEE CN(Cc1ccccc1OCc1ccccc1)C(=O)CCCC(=O)Nc1ccccc1C#N 1151490620 GEVLUHFGGSNUMX-UHFFFAOYSA-N 441.531 4.905 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)-c1ccccc1C2)C1CCN(C(=O)OC(C)(C)C)CC1 1155358993 JYPLZHNTTBOUBY-UHFFFAOYSA-N 430.548 4.733 30 10 IJEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)C[C@@H](CC#N)c1ccccc1 1162711982 FFQIQZSXPDEJIR-TZIWHRDSSA-N 425.573 4.712 30 10 IJEE C=CCn1c(SCC(=O)NCCO[C@H]2CCCC[C@H]2C)nnc1-c1cccc(Cl)c1 1165888962 JABZYUADVVIITO-APWZRJJASA-N 449.020 4.588 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)OC 1177959821 VCOOKNCRZKHTPG-IBGZPJMESA-N 434.319 4.852 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1OC 1204609196 PIBGOUUIALUWMZ-HXUWFJFHSA-N 428.960 4.698 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 1214323479 DMCCSGPTJKWGIG-UHFFFAOYSA-N 430.530 4.856 30 10 IJEE CC#CCCNC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 1234494607 YQGVTLINNSYXAQ-MHZLTWQESA-N 442.559 4.924 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1cccc(F)c1Br 1264834886 WZRMHKKVKUFSMR-UHFFFAOYSA-N 426.289 4.656 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(C#N)c2)[C@H](c2ccccc2Cl)C1 1270241622 AMHLCYVLUUXCNM-FQEVSTJZSA-N 443.906 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 1270659997 VZRAUMZDLZWLFJ-YYWHXJBOSA-N 430.342 4.667 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCc1cccs1 1286320551 DGTBAIDBCQHFBD-UHFFFAOYSA-N 430.581 4.675 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1ccccc1 1286516226 YQKWUZQTNKEEFR-KSFYIVLOSA-N 438.373 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCCc1ccc(OC)c(OCC)c1 1286524216 CKAOYNZCHDAVRW-AREMUKBSSA-N 436.600 4.968 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1286542315 UODFVTQPQYZKDW-MRXNPFEDSA-N 438.439 4.843 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CCCC1 1286551348 HKCXMMXQFXSVNW-GHTZIAJQSA-N 425.533 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)Cc1ccccc1 1286569576 VLLOCCVTUNPMOQ-IBGZPJMESA-N 439.007 4.916 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1Br 1286611881 PZOINEMYCLOTIT-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](C)c2ccc(OC)cc2)CC1 1286662718 WGDDAVLTGUPHMI-HXUWFJFHSA-N 431.584 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286669115 YWLVSYZHPUSEPK-YJBOKZPZSA-N 438.494 4.712 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CCSC 1286672079 GJVYAAQPTPGJNY-FXAWDEMLSA-N 430.618 4.971 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286674127 MXOGNILUWURBMZ-IBGZPJMESA-N 449.565 4.738 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1286700400 MJPMHYQIIXGTSD-UHFFFAOYSA-N 437.632 4.674 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1286771111 XSIPGNAIRTXWJY-LEWJYISDSA-N 441.595 4.836 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@](F)(C#N)C2)s1 1292559711 FONOCKGEBJACOY-OAQYLSRUSA-N 445.951 4.721 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3c(OC(C)C)ccc4ccccc34)n[nH]2)c1C 1296099798 YKWAXRYZBIVSBC-UHFFFAOYSA-N 443.551 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)c1nccs1 1300790757 WCUVRFZVVVRCTQ-SPLOXXLWSA-N 429.952 4.990 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCOC1 1300924637 GFUFVLOMIFSRPY-FQEVSTJZSA-N 426.605 4.984 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1301087624 NLSSXWWQIYPJDE-OAQYLSRUSA-N 437.632 4.544 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 1301127565 PMNBXOSLOZHCPX-UHFFFAOYSA-N 435.547 4.641 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC=C(C)CC1 1301139729 UKMCQEJOAIWUPV-UHFFFAOYSA-N 426.561 4.730 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1301155857 YPJBPFFZOUTMRU-PMERELPUSA-N 428.646 4.987 30 10 IJEE C=CC[C@H](Cn1c(N2CCCC[C@H](C)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301167593 CLGRWHIGDYOYBA-SYVJQLTCSA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(Cc2cscn2)CC1 1301178346 INGLLUJSVUTQGV-UHFFFAOYSA-N 443.020 4.734 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CCC1 1301188396 IVKFRZBECPHQRY-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCCN1CCCC[C@@H]1C 1301346605 GKAWAJKBLPOUSB-QFIPXVFZSA-N 432.616 4.741 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cccs1 1301350832 AOQRJVJMLBKKBI-XMMPIXPASA-N 449.555 4.641 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[C@@H](O)C1 1301365472 QFVKSMRGYOPAOW-AZUAARDMSA-N 440.588 4.813 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCC(C)CC2)cc1 1301390443 HHKRSROUBRNXLD-DEOSSOPVSA-N 435.616 4.983 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)c2ccncc2Br)s1 1303309086 KQAOVUCCPMDHBU-SNVBAGLBSA-N 446.823 4.874 30 10 IJEE C#CCC1(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CCCCC1 1304007187 RRIALZKLNZVGLC-UHFFFAOYSA-N 443.341 4.679 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C(C)(C)C)n2)C[C@@H]1C 1305153776 FWPKUZKWQCPCIM-IRXDYDNUSA-N 434.613 4.906 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)c2ncc(C)s2)c1 1315559864 FAWREWPLVKDSBV-WAIKUNEKSA-N 436.585 4.652 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCCC[C@@H]1C 1358873502 JZNYJZIOCKNFKY-PKTZIBPZSA-N 433.644 4.861 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc(C(C)(C)C)cs1 1358891743 LWGSNSQLXBHYNZ-OAHLLOKOSA-N 428.005 4.783 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H]1CCCCO1 1358997253 LLUUWOVIAKESJL-HSZRJFAPSA-N 448.611 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ncccc1C 1359000225 PPVPZLXAZNXDDX-LJQANCHMSA-N 437.975 4.900 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](c1cccnc1)C(C)C 1359013909 PUCNESMXLIHOFR-XMMPIXPASA-N 431.584 4.768 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1359134923 LTGUZPAIQOPQKI-INIZCTEOSA-N 432.540 4.999 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1Cc1nc2c(s1)C[C@H](C)CC2 1359254832 FFCOSYWMUKRQHJ-QGZVFWFLSA-N 437.613 4.671 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCCN(C(C)(C)C)CC1 1359309114 IPAZRJJXRYRSGH-FQEVSTJZSA-N 425.621 4.715 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N(C)OC1CCCC1 1359339313 AHBXGVDXHUQPDY-UHFFFAOYSA-N 437.407 4.937 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1Br 1435529438 GMZCTMDNNUTZKP-GOSISDBHSA-N 440.297 4.595 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C(F)(F)F)cc1 1436241097 XWCZYLRBBBCWFD-OAQYLSRUSA-N 430.401 4.742 30 10 IJEE C#C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1CCC)c1ccc(Br)cc1 1436652162 XDJFKBGLBPWNQE-NRFANRHFSA-N 436.353 4.751 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2COCc2ccccc2)CC1 1440680816 DKWUWTLVRSSFQU-AREMUKBSSA-N 443.522 4.565 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)nc1C)c1ccc(Cl)cc1F 1449310470 BZDCTUAICHYXKS-LJQANCHMSA-N 446.707 4.840 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCN(c4ccccc4Cl)C3)o2)cc1 1453170754 BEUGPYDMVLCUSP-SFHVURJKSA-N 435.911 4.640 30 10 IJEE COCCn1c(SCCC2(C#N)CCCCC2)nc2sc3c(c2c1=O)CCCC3 1458722626 BJHREPBKCYKCFW-UHFFFAOYSA-N 431.627 4.939 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)/C=C\c2ccc(Cl)cc2)cc1 1459933202 YRMIIIYOFFCLDT-IJFZUYQYSA-N 438.955 4.616 30 10 IJEE CCOc1cc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)ccc1OCC(=O)OC 1460375005 BFVLWDRQADNZGA-KGLIPLIRSA-N 442.537 4.508 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc(/C=C/c4ccccc4)cs3)n[nH]2)c1C 1465081869 SUURPUXSCJZXNP-ZHACJKMWSA-N 430.537 4.955 30 10 IJEE Cc1cc(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(C#N)cc1N(C)C 1466763415 FNYCYFQLOVZSJY-FQEVSTJZSA-N 432.446 4.557 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](Oc2cccc(F)c2)C1 1466816395 LXRVWJSPWKNERN-KRWDZBQOSA-N 435.293 4.838 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](CCC)C1)c1ccc(Cl)cc1F 1470665783 JHHGNZGPPCTEKO-NFBKMPQASA-N 427.951 4.850 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3c(Cl)cccc3Br)CC2)OC1(C)C 1471648398 ZNLATCJGPLMJTK-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE CC(C)(C)CC[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)OC(C)(C)C 1476100480 HMZWXSYPJXIRPL-AWEZNQCLSA-N 425.476 4.818 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1Oc1ccc(OCCC)cc1 1477862673 PJYGPWRLIKVFMK-ILBGXUMGSA-N 436.552 4.677 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)CC)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1507514311 COOASPUMRQGSMT-QZTJIDSGSA-N 425.577 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2)CCC1 1507521407 YHGXHFQVOJLRSO-INIZCTEOSA-N 438.373 4.616 30 10 IJEE C#CCCCCn1c(N(C)[C@H](C)c2cc(F)ccc2F)nnc1[C@@]1(OC(C)C)CCOC1 1507576469 YHKHTZWVJYQVBK-HOYKHHGWSA-N 446.542 4.598 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC[C@@H](F)C1 1507699315 BONVGVBDQCYDSK-FXAWDEMLSA-N 441.913 4.911 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC(C)C 1507744732 OEUHMJOLPXPFHB-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1507797974 TZPTYGHVULPBFG-CLWJZODNSA-N 445.405 4.781 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC2(CCCC2)C1 1507839275 QIFORUISYRACEC-UHFFFAOYSA-N 425.533 4.607 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1507904658 NCKNFOXDUFWPHR-QHCPKHFHSA-N 435.660 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507919479 NXOVXQUDJYYGJQ-NHCUHLMSSA-N 434.632 4.802 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCOc1ncccc1F 1508001483 SZIXOUONNXBCKU-UHFFFAOYSA-N 433.487 4.652 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1ccc(Cl)nc1 1508025816 SQSYQJBXSZITIB-UHFFFAOYSA-N 444.970 4.980 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(C)=C(Br)C1 1508051926 MYLIJBOENGNOMN-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCc2cccc(C)n2)C1 1508111424 FLAWECPEEDDAGP-HXUWFJFHSA-N 437.975 4.716 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)N[C@H](C)c2ccccc2)C1 1508127071 WNTQRWYDEAMYDG-NFBKMPQASA-N 437.632 4.846 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CC[C@@H](F)C2)C1 1508131219 YWZCGKHYWSTFRU-VAMGGRTRSA-N 430.593 4.798 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCOC2(CCCCCC2)C1 1508165891 ZYJALCKTYJLQIJ-UHFFFAOYSA-N 440.657 4.912 30 10 IJEE C#CCOc1ccc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1521562393 JYNFKWXTMGIGMO-UHFFFAOYSA-N 425.463 4.872 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)c1ccc(C(F)(F)F)cc1 1526560045 FLOXNHAZTHPMLF-ICSRJNTNSA-N 439.522 4.907 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2C#N)C1 1526913365 BWYVKDVUWYSWCJ-HOCLYGCPSA-N 430.595 4.526 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1528088756 PZZCCCGKQUWLEX-ZWKOTPCHSA-N 437.378 4.569 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1530359370 RPGHAVJRHOWVGE-DEOSSOPVSA-N 432.564 4.639 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCc1nc(C(F)(F)F)cs1 1538972704 JTDBXEMAGQLXMD-GFCCVEGCSA-N 439.894 4.774 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](c1cccs1)N(C)C 1539147980 LPQMMFFDQIKBNO-APWZRJJASA-N 444.004 4.505 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCCSC 1539158683 HDVNNVYUNLYFCQ-UHFFFAOYSA-N 441.826 4.964 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C1CC1)N(C)C 1539351829 JDZPGOZJFNUCJD-FQEVSTJZSA-N 437.588 4.612 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CCC1 1539623605 MXHZJEUWYFMOKE-LAUBAEHRSA-N 430.980 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N(C)CC(C)(C)C 1539642107 OZHAGROUZULSKI-CVDCTZTESA-N 442.604 4.719 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539691320 UPYOZHZOSIQFIV-SFHVURJKSA-N 441.645 4.545 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC2(CCC2)C[C@H]1CC 1540037338 INHQSDMQRINSEW-GOSISDBHSA-N 430.543 4.899 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nccs1 1540188948 CXSIHHNLVSNWGF-UYAOXDASSA-N 441.601 4.530 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)CCOC)C1 1540883561 BKEYNPJTEANMDP-HXUWFJFHSA-N 449.599 4.646 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1540907832 KDIPBKGHUDZYPC-OXJNMPFZSA-N 427.618 4.691 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1540918355 PNDNRVBGZOPBLM-UHFFFAOYSA-N 439.412 4.696 30 10 IJEE C#Cc1ccc(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1 1542524639 JOQQBYHRAJJBEB-UHFFFAOYSA-N 428.488 4.970 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(O)c(F)c1)c1ccc2c(c1)OCCO2 1543115050 FMAARAOSOYMJPO-UHFFFAOYSA-N 435.451 4.714 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 1544039081 DQALRKNYBISUSI-UHFFFAOYSA-N 427.291 4.512 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O 1556532338 RUTUKAUOEFTNLY-UHFFFAOYSA-N 433.817 4.526 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2(CC(=O)OC(C)(C)C)CCC2)s1 1557342770 JVKULEJQZWMYTE-UHFFFAOYSA-N 431.023 4.609 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1557887924 QTSXMHHUZMBPKX-QFIPXVFZSA-N 425.573 4.960 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CNC2(c3ccc(Br)cc3)CC2)ccc1Cl 1559691222 FFIJZDGBSUMJQX-UHFFFAOYSA-N 446.776 4.937 30 10 IJEE C=CCc1cc(CNC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc(OC)c1O 1560624816 AVIQJCYNRXATKE-LJQANCHMSA-N 449.391 4.688 30 10 IJEE C=CCCn1cc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nn1 1560719656 QVDZDSJVZWUDFY-UHFFFAOYSA-N 432.959 4.992 30 10 IJEE O=S(=O)(NCc1ccc(Cl)c(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1F 1561797589 CHQCMYSZWZJVKL-UHFFFAOYSA-N 435.748 4.995 30 10 IJEE CC[C@@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1CCc2ccccc2C1 1563461249 FDWRWLQSRCTMJD-QHCPKHFHSA-N 444.604 4.923 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)Oc1ccc(F)cc1 1564152887 TXPXCXLGXRKPFU-AWEZNQCLSA-N 439.300 4.892 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(Oc3ccccc3)cn2)CCCN1C(=O)OC(C)(C)C 1570800474 IMPPYHQBJLCXMW-RUZDIDTESA-N 437.540 4.836 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCCc3cc(OC)c(OC)cc32)cc1OC 1583469721 FDYKRMUEXRZMEP-ZOXUKVPXSA-N 437.536 4.874 30 10 IJEE C#C[C@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(Br)cc1 1584708045 JMPZULXCPNOZIH-IBGZPJMESA-N 439.309 4.536 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]2CCC[C@H]21 1589421442 MUOZMMVEHWNEON-KBXCAEBGSA-N 437.332 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCC1CCOCC1 1589515168 LTYAVBHXILYSDY-SIKLNZKXSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1589625307 ATRHCSQFFXSUJL-FQEVSTJZSA-N 438.576 4.522 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCC(F)(F)F)CC1CC1 1593833731 CNVMFHDVVIDZNB-UHFFFAOYSA-N 429.830 4.775 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2csc(CC)n2)CC1 1594102388 KVPAFMDXANTHFL-UHFFFAOYSA-N 428.005 4.940 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@@H](OC)C(F)(F)F)CC1 1594201837 ADSZXFGDPQCZEG-QGZVFWFLSA-N 428.886 4.968 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 1594208895 OVAKKWQSGQKZTN-HNNXBMFYSA-N 426.870 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1594504067 GGTSYUXVADZECA-FQEVSTJZSA-N 436.579 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1594511924 XVTCCLDFSRWNNC-UHFFFAOYSA-N 446.599 4.558 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@H]1CC 1594825365 YLVMDSVXSZXGKV-LJQANCHMSA-N 443.642 4.802 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC1(C)C 1595120485 UQHKGYVHXNOTGW-LJQANCHMSA-N 435.597 4.508 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1ccc(F)c(F)c1 1595155899 BIWXRFDTWBMONZ-SFHVURJKSA-N 444.551 4.947 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1595185016 KPQHTICHKOIUNK-WOJBJXKFSA-N 449.599 4.758 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1595896368 XUWNMVJVRSSLJB-HXUWFJFHSA-N 432.584 4.854 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 1597191595 VHWJCWWXLZXUMV-XPNTWCBSSA-N 444.497 4.919 30 10 IJEE C=CCOc1ccc(CC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)cc1 1597489290 AZFNFBSTFFGNFS-FQEVSTJZSA-N 436.552 4.524 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCN(CCC)C(=O)OC(C)(C)C)s1 1598104265 GXRFCVKDEHMSAX-UHFFFAOYSA-N 448.054 4.602 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 1616399405 NDCFLUSUESIMSZ-UHFFFAOYSA-N 426.513 4.561 30 10 IJEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1618313155 HMPXXCIYHYSHTR-SGNDLWITSA-N 433.552 4.626 30 10 IJEE C#C[C@@H](NC(=O)c1ccoc1COc1ccc(C=O)cc1)c1ccc(Br)cc1 1625077661 FIRURQFDWAMQAX-HXUWFJFHSA-N 438.277 4.538 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(C)c(C)c1 1627425516 JTOAPRFOMQPLEA-UHFFFAOYSA-N 432.480 4.601 30 10 IJEE C#CC1(NC(=O)NC[C@@H](c2ccc(SC)cc2)N2CCc3sccc3C2)CCCC1 1628844578 NRVIYMSBWWMBPV-NRFANRHFSA-N 439.650 4.815 30 10 IJEE O=C(Cc1ccc(F)cc1Cl)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1629967719 HRASDNMEENEMGE-MRXNPFEDSA-N 443.746 4.607 30 10 IJEE C=CC1(CC(=O)Nc2c(-c3cccs3)nc3ccccn23)CN(C(=O)OC(C)(C)C)C1 1638260246 XBXOCVXNSWIFBX-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)c2sccc2-n2cnnn2)cc1 1639323630 CBEXWBSWDAARMY-UHFFFAOYSA-N 438.925 4.652 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 1641387091 JODOSCFGESNICZ-KBMIEXCESA-N 446.588 4.609 30 10 IJEE COc1cc(C#N)ccc1OCCN1CCC(COc2ccccc2C(F)(F)F)CC1 1645339978 AGXPAZTUICMTMO-UHFFFAOYSA-N 434.458 4.755 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2sc3c(c2c(=O)n1[C@H](C)CC)CCCCC3 1655976555 KOYFOMLFICCMEZ-MRXNPFEDSA-N 445.654 4.991 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CN1CCC(c3ccc(C#N)cc3)CC1)C2 1656288752 GOYMKXHSRHAKHO-QHCPKHFHSA-N 439.600 4.544 30 10 IJEE CN(c1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cc1F)C1CCCCC1 1658337754 HZPFTWFXTGSPAR-UHFFFAOYSA-N 441.576 4.882 30 10 IJEE C#CC1(O)CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(OCC)cc2)CC1 1666637135 QEQHHNJGGJGESO-UHFFFAOYSA-N 448.441 4.888 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H](CC(=O)OC)c2cccc(Br)c2)c1 1668204131 YBIHGMZFLKEFRA-LJQANCHMSA-N 447.329 4.830 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1)c1ccc(Cl)cc1 1668490827 FQLLDFJFQBHARE-NRFANRHFSA-N 440.906 4.949 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)cc1 1674523538 BSTNHHAFEAWUPB-WIYYLYMNSA-N 429.561 4.636 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1 1675730921 UYYQLQVMRLQZAF-DNQXCXABSA-N 425.548 4.596 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)Nc2cc(OC)c(Br)cc2Br)CC1 1677155641 ONZQKCWFVNYHNG-XYPYZODXSA-N 430.140 4.534 30 10 IJEE C=CCc1cc(CNC(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1OC 1677966688 KLIRSIDDCDIOSX-UHFFFAOYSA-N 434.458 4.940 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)[C@H](C#N)C1 1680961258 HZIANJIMOPDJRA-YLJYHZDGSA-N 445.523 4.715 30 10 IJEE C#CCOc1ccc(CNC(=O)N2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)cc1 1681325605 FRKZVUWOLMOXRZ-SANMLTNESA-N 432.564 4.924 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1cncc(Br)c1)c1ccc(Cl)cc1F 1682366389 FHBUCYINPAENDC-QZTJIDSGSA-N 436.712 4.858 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 1684262815 UPBAXUJWUSBLCI-SHTZXODSSA-N 427.998 4.935 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 1684557819 YHACIKFJZAUKEN-UHFFFAOYSA-N 436.394 4.802 30 10 IJEE C=C(C)COCCNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 1685536602 FWQWFMARVNESPT-OAQYLSRUSA-N 436.474 4.543 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(F)c(F)c1 1686173340 GKNGXGQRLKVZBI-IRLDBZIGSA-N 428.479 4.954 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)c1ccccc1 1687449779 LDNALMRCMQCUMN-QHCPKHFHSA-N 426.605 4.890 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1cnccn1 1689876639 GEJAXKITOWAQQI-UHFFFAOYSA-N 443.580 4.607 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1689885938 ZZXPIOVWYKYHMW-VQIMIIECSA-N 429.490 4.875 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(Cl)nc1 1689949151 RVSPPQKNDVLYAF-UHFFFAOYSA-N 430.943 4.519 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCc2ccccc21 1690086291 YOVMBJUGASYQOE-IRLDBZIGSA-N 449.599 4.540 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@H](O)C1 1690198632 WODZQDVCQOYAPY-GIMINZRKSA-N 433.383 4.795 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@](C)(O)CC)CC1 1690406329 BKUNRZMNZPLIKO-RUZDIDTESA-N 426.605 4.933 30 10 IJEE Cc1cscc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1693331729 BJMPCXCXHGMITN-UHFFFAOYSA-N 435.578 4.845 30 10 IJEE CCc1ccc(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@@H](C)C#N)s1 1694528941 GYWOUOSFOYZBKK-INIZCTEOSA-N 432.553 4.868 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)Cc1cccs1 1705489117 KDORKFNXFZMLIU-RBUKOAKNSA-N 430.581 4.529 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2sccc2c1 1705602999 HHUFPVZEYASUKF-FYYLOGMGSA-N 446.620 4.923 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2Cl)CC1 1705723484 WVSKWHCEGJMJNC-UHFFFAOYSA-N 429.355 4.550 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1705771684 BJUABXAASAYIRJ-RTBURBONSA-N 428.602 4.551 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCC[C@H](C)C2)CC1 1705772631 WPYSAQRGWOCNPO-NRFANRHFSA-N 425.646 4.767 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1Cc1nccn1C(F)F 1705862381 IGFMSUCNDDXKAF-UHFFFAOYSA-N 430.478 4.907 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1705886887 VEYLSADIFWHAQN-ZBFHGGJFSA-N 437.357 4.674 30 10 IJEE CCC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1708875620 DNTTZXFFMDTDIA-ROUUACIJSA-N 429.540 4.502 30 10 IJEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1C[C@H](C)Cc1cccs1 1711972634 FWJFDOGSWLJHKK-GOSISDBHSA-N 435.597 4.558 30 10 IJEE CS[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCCCC2)C1 1712727415 HAICEZPHWFBGCZ-KRWDZBQOSA-N 427.643 4.824 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1722308285 JXSJEDWSCFVPNH-AVRDEDQJSA-N 438.503 4.532 30 10 IJEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1722320066 RZKSEIPAEISLHC-IBGZPJMESA-N 442.007 4.710 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC[C@H](OCC)C1CCCC1 1722408709 POGKRCNAWQWGNE-DEOSSOPVSA-N 431.584 4.938 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1722483784 CSYLAHQWJBWSMJ-HOCLYGCPSA-N 439.423 4.803 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1722574588 NQYATIQZCRKDSV-QGZVFWFLSA-N 428.577 4.658 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1722580112 OVVNOJUKFNLPRH-HSZRJFAPSA-N 425.596 4.855 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOC)CCC1 1722631940 AYGADENZQYJVJE-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccco1)N(C)C 1722658896 LNWOVNXLCSPYAZ-OAQYLSRUSA-N 434.519 4.501 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1723419871 GEGWGKSTQXGAQY-QFIPXVFZSA-N 432.572 4.729 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](CC(C)C)N(C)C)c2ccccc2n1 1724203314 BFTBTUMNBHGQDV-PMACEKPBSA-N 433.604 4.516 30 10 IJEE CN(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 1729319842 IBTANINHOWRZFX-DHLKQENFSA-N 426.653 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCc1nccs1 1740538236 KVTHBYZMGIKZOK-KRWDZBQOSA-N 430.581 4.510 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCCN1CCCC 1740538270 LEIWGRMNEPGBJV-FCHUYYIVSA-N 444.627 4.914 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC1(COC)CCCC1 1740549559 LWHTUEDXJILJPO-IBGZPJMESA-N 433.556 4.655 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)CCC(C)C 1740560012 ZVEJYUYUSMGJPR-VGOFRKELSA-N 435.037 4.869 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)c1nc(C)cs1 1740635228 ILJBJYPBNSDEQR-AWEZNQCLSA-N 444.391 4.893 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCCOc1ccc(C)cc1 1740648465 LEMYHGCRSLPDQE-UHFFFAOYSA-N 447.970 4.624 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCCN(CC(C)C)C1 1740649448 UNULZAVBAKZFEG-AHWVRZQESA-N 445.655 4.651 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CCSCC 1740740530 FKMRIMRYTSTNQD-CYBMUJFWSA-N 444.830 4.870 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCC2(CCOCC2)C1 1740787112 AQNJCRMZWYISSJ-HSZRJFAPSA-N 438.616 4.810 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740797691 SSBHZTDCBVIBCK-ZVDOUQERSA-N 428.552 4.604 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1740836808 NISQAYQDJWJNLE-CJFMBICVSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740845313 KVQUTABMSSWOLE-IBGZPJMESA-N 435.572 4.598 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(F)c(F)c1 1740894251 NJJOHYQJDSLGGV-UHFFFAOYSA-N 439.329 4.912 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1Cc1cccc(C(F)(F)F)n1 1740924981 HOVZKBTYYPXRBB-UHFFFAOYSA-N 429.446 4.594 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCCS2)C1 1740984514 CYAYQAVLEQRQRR-CTNGQTDRSA-N 444.670 4.946 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCC(C)(C)C)CC2)s1 1742225568 GMVRTIDUEVKMRR-UHFFFAOYSA-N 448.640 4.793 30 10 IJEE COc1ccc(Br)c(-c2nnc(N3CCC(C#N)CC3)n2CC2CCCC2)c1 1748586329 FJWYXBVPKJQDLM-UHFFFAOYSA-N 444.377 4.646 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1748703368 OKTFVCCEZNNSFG-XUVXKRRUSA-N 439.673 4.854 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cc(C(CC)CC)no1 1748907105 NGUDETBUKZETRQ-UHFFFAOYSA-N 448.571 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@]1(C)CCCS1 1749058956 SRYQJMUSDICSRX-RTWAWAEBSA-N 445.430 4.985 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749128114 SFIAGIXREXCCJG-NQIIRXRSSA-N 428.602 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)CCC 1749146820 OFTFLZJOYHYTNZ-NRFANRHFSA-N 435.410 4.970 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(N3CCCCC3=O)CC2)nnc1C(C)(C)C)c1ccccc1 1749384504 CIOAGRXTHGZMSD-QFIPXVFZSA-N 449.643 4.917 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1C(C)(C)C)c1ccccc1 1749386282 YQEJRMAJCUCUNH-QFIPXVFZSA-N 449.643 4.917 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1749396136 WTHGGNZGBBLVPU-UHFFFAOYSA-N 438.963 4.793 30 10 IJEE COCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1749404480 DYCNVVKEEUZFIL-WZONZLPQSA-N 441.551 4.504 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CC1CCN(CCC(C)C)CC1 1749479190 SOYZMAWPFQWYLD-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCO[C@@H](C)C1 1749531612 NSGYGOFRPUMLGM-VQTJNVASSA-N 430.556 4.543 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749686674 DBTLJWXKWXYMOY-NHCUHLMSSA-N 437.632 4.715 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCC2CC(OC(C)(C)C)C2)C1 1749716924 DZDVZFZXSQLFQM-CKHPTIKVSA-N 444.645 4.696 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1749754313 KBRCABGCOJJNHP-FPOVZHCZSA-N 430.593 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1760124938 MYLJYZFAMGRHPT-REWPJTCUSA-N 439.673 4.847 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](COCC)C1 1760148826 NRAQQBWVQOQIMU-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1c(C)noc1C 1760225802 YONCZBWLBUAFKE-UWJYYQICSA-N 435.572 4.903 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCO[C@H]1CCCC[C@@H]1C 1760244180 ZTZMVGHHRJGUOO-AJSBUHFISA-N 440.563 4.504 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)C(C)C 1760315602 GYBVHNXDHUFCTM-IEBWSBKVSA-N 433.394 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)C/C(C)=C\c1ccccc1 1760325046 NVHSPVOPBSTPEZ-AJRZZEMMSA-N 443.595 4.785 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCSC1 1760370832 GIEFLPOEOIIBRS-LBPRGKRZSA-N 431.762 4.541 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC(=O)NC2CCCCC2)CC1 1760399100 YZWGYXDJVWOEEM-UHFFFAOYSA-N 435.616 4.749 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](COC(C)C)C1 1760433411 FNKIVXYMFKKMMF-AZUAARDMSA-N 444.645 4.728 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1Cc1cnccc1OC 1760485482 FBWYDBXKJWBKQW-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)c1ncc(C)s1 1760492844 IIVNUOYBNARTJT-SFHVURJKSA-N 445.596 4.878 30 10 IJEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](SC)C2)CCC1 1769579291 ADLZQUGBGKETJE-NRFANRHFSA-N 439.629 4.745 30 10 IJEE CO[C@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H](C)CC#N)C1CC1 1769625869 HDYAIDWYGWZYKX-DNVCBOLYSA-N 436.585 4.540 30 10 IJEE COc1ccccc1/C=C1/SC(=NN=Cc2ccc(O)cc2)N(Cc2ccco2)C1=O 1772757657 IMNNYTFQTBAKDS-JWIJGFOBSA-N 433.489 4.500 30 10 IJEE CCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c(O)c1 1862557519 MJJHTNDPQDSCKN-QFIPXVFZSA-N 438.524 4.619 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(Cl)cc1 1862618551 VQPAKAWCWFKLMM-OAQYLSRUSA-N 440.971 4.777 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(Cl)c1 1862628345 YYFNVPMGAOCVBX-HXUWFJFHSA-N 427.884 4.693 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1F 1862638826 LAUFWMZHRDZMOV-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1F)c1ccc(F)cc1 1862675754 SRQRJPXAGKODAL-JOCHJYFZSA-N 437.417 4.925 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F 1862735258 GQLPBWCHPJJBBN-FQEVSTJZSA-N 426.444 4.893 30 10 IJEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868467285 UFKVUFBUGBMDHI-UHFFFAOYSA-N 446.986 4.809 30 10 IJEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(CC)cc2)cc1 1870107648 RSXXNLUNHOHWDW-UHFFFAOYSA-N 431.540 4.972 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 1870110976 QYIJQQHGEVQTDS-OLZOCXBDSA-N 446.725 4.900 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1CCc1ccccc1 1870341285 SROUGBDEUCBEJB-UHFFFAOYSA-N 432.539 4.983 30 10 IJEE CCOC(=O)CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccccc1)C2=O 1871396726 SOFONGJGXOCCNE-IWIPYMOSSA-N 443.499 4.574 30 10 IJEE CCn1cc(/C=C2\Oc3cc(O[C@H](C)C(=O)OCCOC)cc(C)c3C2=O)c2ccccc21 1871438046 LNZJKTUCTOIHBC-SUVVMJBMSA-N 449.503 4.543 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871438411 YEAINNOQAARMRR-SAHIIKMKSA-N 444.483 4.927 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)c1 1871448688 WFNZDAUVPYFUMA-FMCGGJTJSA-N 449.890 4.660 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871459061 NHPCLSZGQFQNFN-LZNIEJQKSA-N 427.456 4.885 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCN(CC)CC2)n1 1871585931 WXXWRBJMSQSNHS-UHFFFAOYSA-N 439.652 4.514 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871879380 SNSZSNGLXIDHJZ-FQEVSTJZSA-N 434.989 4.859 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871903913 DUPDIALVDNWICR-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872057312 HQALJNYYNLQEFN-IBGZPJMESA-N 432.561 4.653 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872251901 AGMGDSYDXGXYAE-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872456518 IZJCCTJDUODFDA-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872502029 POZTZTGKVRIOSS-OAQYLSRUSA-N 428.598 4.823 30 10 IJEE CN(C)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1[N+](=O)[O-] 1872787264 FQCOUHPRAGLYQI-LLVKDONJSA-N 432.914 4.989 30 10 IJEE Cc1ccc(-n2ncc(N/N=C/c3cccc4ccccc34)c(Br)c2=O)cc1 1873526169 QSABAHQXCGPUBX-ZMOGYAJESA-N 433.309 4.903 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc(OCC)cc4)CC3=O)sc2C)cc1 1873529885 PDRSOJJVWGXMMV-UHFFFAOYSA-N 435.549 4.633 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OCc3ccccc3)c2)cc2c(N(C)C)ncnc21 1873649009 MCHATBXPIBCDAA-UHFFFAOYSA-N 427.508 4.515 30 10 IJEE C=CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(O)c1 1874232201 FXSIXQZDSRLHDV-PCLIKHOPSA-N 430.533 4.788 30 10 IJEE CCCOc1ccc(/C=N/n2c(COc3ccccc3OC)nnc2SCC)cc1 1874288746 PLMWJAFEAHRCFY-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)N(CC)CC)cc1 1874405009 AYRDQJOLVGVOIX-KOEQRZSOSA-N 441.645 4.806 30 10 IJEE CCCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C(C)C)c1 1874509375 ZTPPNQONGWWKLR-BUVRLJJBSA-N 437.569 4.803 30 10 IJEE CCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(Br)cc2)cc1 1874570385 SGLDWSZZFYEZAV-HYARGMPZSA-N 445.386 4.981 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2cc(OC)c(OCC(=O)NCCC)c(OC)c2)cc1 1874606263 FRSPWTOMXMUXSH-SDNWHVSQSA-N 439.552 4.848 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(CCc3ccccc3OC)n21 1875033283 MFYLNGNICNVNAL-GOSISDBHSA-N 430.618 4.781 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCc3ccccc3)cc2)cc1OC 1875098875 MFAYZCGQSWEEAV-GXDHUFHOSA-N 432.472 4.722 30 10 IJEE CC(C)N(CC#CCNC(=O)C1(c2cccc(Br)c2)CCCCC1)C(C)C 1890299706 LPMRWDXWBXYKOV-UHFFFAOYSA-N 433.434 4.889 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2C1 1912188175 NSUUHYHMDFGEES-PNLZDCPESA-N 448.568 4.853 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953246529 MXVGSORHKITMGL-WPUZRXDDSA-N 441.572 4.963 30 10 IJEE CC(C)(C)C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(C#N)c1 1962825479 QAGMDAQEHGBRIU-CQSZACIVSA-N 438.366 4.836 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)C[C@H]2C1 1996795068 KSVCANOGNOYWKE-MRSFGVLCSA-N 427.545 4.967 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCCCC2 2017322542 CCTOGSBLOUFEKU-NRFANRHFSA-N 434.541 4.750 30 10 IJEE CCCCCC#CC[C@@H](NC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024388588 WLESBRZIRNTTMV-ZEQKJWHPSA-N 427.633 4.718 30 10 IJEE CCCc1ccc([C@H](C)n2nc(C3(C)CC3)c(C=NO)c2I)cc1 2079874336 CRFABJUQJLCCPR-ZDUSSCGKSA-N 437.325 4.909 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](Nc2cc(Br)c(C#N)cc2F)C1 2106024265 QPCBDYUEMZWVJD-OCCSQVGLSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1Nc1cc(Br)cc(F)c1C#N 2107452590 ZSLZBWCFMBQKSS-LRDDRELGSA-N 426.330 4.955 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2180989841 SVAWGXWGMAEQRT-DLBZAZTESA-N 443.426 4.829 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)c(F)c2F)NC)C1 2183051833 CLMMDFRDKUCEKR-HNNXBMFYSA-N 445.348 4.719 30 10 IJEE C[C@@H](CC1CCN(c2ccc(C#N)c(Br)c2F)CC1)NC(=O)OC(C)(C)C 2203524342 QLRVVSKTLBBASL-ZDUSSCGKSA-N 440.357 4.980 30 10 IJEE CCCc1ccc(C#C[C@@H](N)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223326780 QZDKYEVDZSPIFO-BUUDZMLXSA-N 436.596 4.817 30 10 IJEE C=C([C@H](NC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C(F)(F)F 2229125117 XVRIAYXITQWKGW-GJZGRUSLSA-N 437.300 4.591 30 10 IJEE CC1(C)OB(c2ccnc(Oc3cc(Cl)cc(Br)c3)c2F)OC1(C)C 2266005819 PGLYJTHXEWCNPO-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267003528 QGAYSHTTZFAXRA-GOSISDBHSA-N 434.389 4.563 30 10 IJEE C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267003529 QGAYSHTTZFAXRA-SFHVURJKSA-N 434.389 4.563 30 10 IJEE CCOc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)S2)cc1 2294956853 RNGHHZMQVXQOGA-UHFFFAOYSA-N 434.473 4.935 30 10 IJEE C[C@H](C[C@@H](O)C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296228654 BCODRRFSCLGOCF-KPFFTGBYSA-N 436.390 4.835 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2296284978 XBRKDCNUKWCLMY-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@@H](O)C#Cc1ccc(Br)cc1)C2 2296289911 XACSCDDOYCGQAV-WHYIANOMSA-N 434.374 4.635 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](C#Cc2ccc(Br)cc2)NCCC)C1 2296292437 YKVFZHYBWSULND-IBGZPJMESA-N 433.390 4.782 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]12CC[C@H]1CCN2C(=O)OC(C)(C)C 2296300356 HAHMYMZKENSUGH-LRXVAGHRSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C 2296311494 XNAYUJMMBYHVOI-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CCCCc1ccc(N=C2NC(=O)C(=Cc3ccc(OC)c(OC)c3OC)S2)cc1 2314557433 FZZKDNKZROFXQB-UHFFFAOYSA-N 426.538 4.947 30 10 IJEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)NC2CCCCC2)cc1 2321160562 BYMHPXTZBUOLHW-UHFFFAOYSA-N 443.617 4.579 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nncn2N=Cc2ccc(Cl)c(Cl)c2)c1 2321218441 NNGYEAPYSOCLQM-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE CCOc1cc(C=NN2C(=O)c3ccccc3C2=O)ccc1OCc1cccc(Cl)c1 2321708938 RTDRKPUCMMTSIB-UHFFFAOYSA-N 434.879 4.948 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc2cc[nH]c2c1 2321862728 GVMSRYOAUAIHCZ-UHFFFAOYSA-N 446.580 4.978 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)c(OC)c1 2324023706 IBCDQVABSYIFJO-UHFFFAOYSA-N 443.499 4.978 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl)NC1CCCCC1 2324087298 SAROGMNSKLMHNM-UHFFFAOYSA-N 441.911 4.793 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)c2c1C(=O)C(=Cc1cccs1)O2 2324161810 RUZGZXBMTHBKOB-UHFFFAOYSA-N 432.545 4.701 30 10 IJEE CCOC(COc1ccc2c(c1)OC(=Cc1cn(C)c3ccc(OC)cc13)C2=O)OCC 2324741727 YKXBJGADYWWMJK-UHFFFAOYSA-N 437.492 4.581 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccs1)C2=O 2325571525 RYWBNRXNVRQOTG-UHFFFAOYSA-N 433.485 4.893 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1sccc1C 2326749970 CZXBYSHKWODBPG-UHFFFAOYSA-N 428.583 4.806 30 10 IJEE O=C(N[C@@H]1CCN[C@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 2328098959 WXOMKTBRRMWWNS-MJGOQNOKSA-N 437.754 4.780 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccc(O)cc2O)c1 2329717258 MWGJRAOQVTXXIN-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE Cn1cc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CCCO2)c2ccccc21 2330970077 OWGXQVGNKHQUOQ-QFIPXVFZSA-N 431.565 4.838 30 10 IJEE CCCCc1nnc(SCC(=O)N(CC)CC)n1N=Cc1ccc(C(C)(C)C)cc1 2331318261 QEHLCVSKGQRMHD-UHFFFAOYSA-N 429.634 4.761 30 10 IJEE CC(C)(C)OC(=O)N1CC=C(CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339586818 LGBQCGLSENVKJL-UHFFFAOYSA-N 441.381 4.705 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(Nc2ccc(Br)c(C#N)c2)C1 2340385340 RBYLQNRGEMNCBS-UHFFFAOYSA-N 434.256 4.721 30 10 IJEE C=CCSc1nnc2c(n1)O[C@H](c1cc(OC)c(OC)cc1Cl)Nc1ccccc1-2 2073662 XLVZQKJKUUUPFD-LJQANCHMSA-N 442.928 4.990 30 10 IJEE C=C(C)CN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccc2c(c1)CCCC2 22796694 OPOCIHZQKDVUQG-UHFFFAOYSA-O 444.418 4.720 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCC)cc1OC 39910534 CBNGOCLYNZSCIH-JOCHJYFZSA-N 433.504 4.938 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc([N+](=O)[O-])cc1 59792086 AVSNKNLMWOOSGS-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE CCN(C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 105909916 JHNCILSEIKWXPX-KRWDZBQOSA-N 433.508 4.974 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 169955740 JTIIHJGTVVGJIZ-JOCHJYFZSA-N 447.922 4.580 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccc(F)cc1 170065012 OGXDIZSDFRQXMX-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(C)o2)cc1 170102093 UVUUMYDUVXRKAG-HSZRJFAPSA-N 431.488 4.992 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccs2)c(OC)c1 170155738 LVYLUIITJVSCDL-HXUWFJFHSA-N 439.464 4.687 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)cc1C 170172535 WYWNLAGEJMGXKW-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@H]1c1ccncc1 170210975 QRPHJBFANTXDBG-HXUWFJFHSA-N 428.916 4.902 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@@H]1c1ccc(CC)cc1 170268274 XMZUMSRNOPKPER-DEOSSOPVSA-N 448.563 4.846 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170361029 IKHYBFHONWCQTE-FQEVSTJZSA-N 425.387 4.739 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(C)c2)cc1OC 170461234 SRXFEGRCUQNCNB-DEOSSOPVSA-N 437.536 4.566 30 10 IJEE Cc1cc(-n2ncc(C#N)c2Nc2nc3ccccc3nc2N2CCCC2)nc2ccccc12 170547600 IARASADJEGRGHB-UHFFFAOYSA-N 446.518 4.888 30 10 IJEE CN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)SC1=Nc1ccc(C(=O)O)cc1 252623977 PDKJWMQAZRNVGP-JWIFITGBSA-N 448.456 4.577 30 10 IJEE CCN(CC)c1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 254841274 SRIJKYRKMKTRHL-UHFFFAOYSA-N 444.587 4.898 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 435766711 ZWTINAKPWDGQRR-OALUTQOASA-N 425.495 4.526 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 467732638 RJZQRYOEHZTUMM-GFCCVEGCSA-N 429.895 4.838 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 475588568 XZXANSNIQDDNEN-QFIPXVFZSA-N 435.568 4.769 30 10 IJEE COc1cccc(Cn2ccc3ccc(NC(=O)c4cc(C#N)c(SC)nc4O)cc32)c1 497892458 JSNJSVXQCGPZIR-UHFFFAOYSA-N 444.516 4.645 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 508879568 GNXOWLDFJJSRAS-VJTSUQJLSA-N 449.643 4.802 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 555242634 TXYDZQDNUXIVTN-NRFANRHFSA-N 434.588 4.920 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 583016621 AMGQEDFFAJDOBN-QHCPKHFHSA-N 443.551 4.895 30 10 IJEE CCOc1ccc(/C=C/C(=O)N[C@H]2CCNC[C@@H]2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 585837019 PPNUKXUHGADWAI-KMCLLWRLSA-N 446.591 4.599 30 10 IJEE C=CCn1c(Sc2cc(CC)nc(-c3ccccn3)n2)nnc1-c1ccccc1OC 597901040 YLKPDUBNIAEUIO-UHFFFAOYSA-N 430.537 4.705 30 10 IJEE CCCOc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)C(=O)Nc1c(CC)cccc1CC 728767003 RRZDRINMYVEKLB-NRFANRHFSA-N 444.535 4.747 30 10 IJEE Cc1oc(NC(=O)COC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c(C#N)c1C 732586247 HEHIPNSBQIEKQY-FCHUYYIVSA-N 444.487 4.633 30 10 IJEE COc1ccc([C@@H](NCc2cc(C#N)ccc2F)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 774254406 QFVYVXOIYSLSAW-XZOQPEGZSA-N 439.531 4.936 30 10 IJEE COc1cc(C)c(C(=O)[C@@H](C#N)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC 787048527 BNRNUQAQWDQVRQ-BLLLJJGKSA-N 435.307 4.519 30 10 IJEE CC(C)c1cccc(-c2ccc(C(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)o2)c1 787061039 BFSCJENELGRDCG-FQEVSTJZSA-N 431.448 4.617 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC2(CCCC2)c2ccccc21 809925696 BCBMKWQXCPAKQI-UHFFFAOYSA-N 443.551 4.854 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NC(C)C)cc1 912836259 GLCHKISSHQHEKL-UHFFFAOYSA-O 426.606 4.542 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CC(C)C)C2=O)cc1 916209212 GXGCPTVRWMERPJ-FQEVSTJZSA-N 441.528 4.645 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccccc2F)n1 1084248810 LENBNNBBORNASW-UHFFFAOYSA-N 444.561 4.623 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccccc2)C1 1116941543 WCVFOUBEJMGOTP-GCJKJVERSA-N 438.959 4.901 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(Oc2ccccc2C)cn1 1124533526 CCQORKNXXLVYDV-UHFFFAOYSA-N 433.460 4.925 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc3c(s2)C[C@@H](CC)CC3)nnc1-c1ccco1 1125266136 NSWJKRUQNRITJB-AWEZNQCLSA-N 443.598 4.816 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1125487619 QLUQLUVUQNKOIF-UHFFFAOYSA-N 437.478 4.773 30 10 IJEE C#CCN(C(=O)CCCOc1ccccc1F)[C@H]1CCOc2ccc(Br)cc21 1126228511 IXXYBVLHTUJFAI-IBGZPJMESA-N 446.316 4.733 30 10 IJEE C=C[C@H](CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)c1ccccc1 1128411145 CQZJQKHUSWFKAH-QGZVFWFLSA-N 431.349 4.592 30 10 IJEE C=CC[C@@]1(C(=O)NCC2(c3c(F)cccc3F)CCC2)CCCN1C(=O)OC(C)(C)C 1129747712 TYGPDHBAQJVSBE-DEOSSOPVSA-N 434.527 4.849 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)c(OC)c1 1130121899 DZAZLEDJECKQRH-UHFFFAOYSA-N 426.582 4.544 30 10 IJEE Cc1c(Br)cccc1CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1133367183 FNGAFCDSKVXFSI-UHFFFAOYSA-N 439.309 4.774 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1)C(C)C 1136649761 DIGNZAWETJZKMM-NRFANRHFSA-N 435.399 4.916 30 10 IJEE C#C[C@H](CCC)NC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1139967127 FYALGPHDEPGQFS-LEWJYISDSA-N 444.575 4.956 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccco1)Cc1ccccc1O 1149858371 YBQJJGVJVTWYLY-FQEVSTJZSA-N 428.529 4.764 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CN[C@@H](c1ccccc1)C(F)(F)F 1161337072 UPIXRJJYPKPMOB-SFHVURJKSA-N 443.263 4.846 30 10 IJEE N#Cc1c(F)cccc1S(=O)(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 1187929726 FXNRBTMTIRNKMG-OAQYLSRUSA-N 426.900 4.839 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCCOc1ccccc1Br 1188620700 OHEOJTJGWQBDIZ-UHFFFAOYSA-N 430.371 4.989 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(Cc3ccc(Br)cc3C#N)C2)C1 1194392490 AWLZWWSQFMWKEV-WMZOPIPTSA-N 448.405 4.790 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccc(Br)cc1 1230498976 OKMSDSUNNCZWFO-NRFANRHFSA-N 428.374 4.810 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccc(Cl)cc1 1252449747 UTPXGIHLLSQYMT-CYFREDJKSA-N 448.007 4.987 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cccc(Oc2nccs2)c1 1264280811 HKEXUSFQCBKBLQ-UHFFFAOYSA-N 425.462 4.678 30 10 IJEE COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1269214552 HVXFIPNJJZZPJC-LLVKDONJSA-N 438.698 4.519 30 10 IJEE C=CC[C@@]1(C(=O)O[C@H](C)c2ccc(-n3cccn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1273882601 IAUNQGFHSBVDFX-OSPHWJPCSA-N 443.519 4.961 30 10 IJEE N#Cc1cc(NC(=O)c2cccnc2OCc2ccccc2F)ccc1Br 1274484225 ATHDEWFNWVLKCT-UHFFFAOYSA-N 426.245 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(CC)C(C)C 1286276565 SBNJFMMYZYSJRJ-SFHVURJKSA-N 436.629 4.565 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1csc(CC)n1 1286277645 FVCBODPSXTXSSK-MJGOQNOKSA-N 437.613 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCc1ccccc1Cl 1286524441 HMQGKBCIOVHIHK-JOCHJYFZSA-N 425.989 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)cc1 1286554821 IKPIZCVLKZYCBH-QUCCMNQESA-N 445.405 4.926 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 1286640283 IDMUVAPGUMXMLD-UHFFFAOYSA-N 434.544 4.581 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(F)(F)C2)CC1 1286655767 RUFPWJXZDUDAQU-AWEZNQCLSA-N 440.336 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1286673508 WFNQSEYAPTZDEL-OAQYLSRUSA-N 431.584 4.869 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](C)C1)c1ccccc1 1286680995 HMGKYOJJKPFJPZ-SVFBPWRDSA-N 449.624 4.722 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(CC)C1 1286683448 RCXHTDLKGXJIQF-HSZRJFAPSA-N 429.996 4.844 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCSC1 1286740604 QYEITWSIKAQTIA-JOCHJYFZSA-N 449.624 4.608 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)[C@H](C)CC 1286747932 RCDSAMCEMVTXHR-KOSHJBKYSA-N 435.597 4.868 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(=C)Cl)C1 1286804440 NJLBOVZXFVLTSO-OAQYLSRUSA-N 437.975 4.886 30 10 IJEE CC(C)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)CC1 1287638963 HKIWVCWGMXUKGU-UHFFFAOYSA-N 431.531 4.894 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCOc1ccc(Cl)cc1C 1292087037 DNPIICFBJFHDIO-UHFFFAOYSA-N 425.916 4.598 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCO[C@@H](C)C1 1300341887 MJNSMTQJKHKHTP-SFHVURJKSA-N 435.597 4.796 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2ccccc2OC)C1 1300424207 CRIZDUPOOQNJPS-KJXAQDMKSA-N 436.600 4.613 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@H](c1ccsc1)N(CC)CC 1300572461 VQCWAIDNXVXBDU-HSZRJFAPSA-N 431.609 4.553 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC(F)(F)Br 1300643858 VHOVZGXDUCSWFF-CYBMUJFWSA-N 429.284 4.558 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(C)cc1 1300656231 BRPWLHAXAYKANF-HXUWFJFHSA-N 448.636 4.769 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1300765729 JGUVAFQBFNJETR-VQTJNVASSA-N 449.089 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1300813463 KURDOHHQFPCMQK-RWCIVJTCSA-N 434.628 4.897 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC)[C@H](C)C1CCC1 1300830025 OBSUAMQZMAPPRE-OAHLLOKOSA-N 449.393 4.886 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1300830356 UUNALBDEOQDEIP-WBVHZDCISA-N 446.349 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)c2ccccc2)CC1 1300877483 YCOLDSHUVJRIFO-KWOQKUFVSA-N 436.600 4.872 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nnc1C(C)(C)C 1300895018 LBIXSWZSFYKRSA-HGIWEUDGSA-N 442.579 4.662 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1300937369 ULZXJQWTLQTJSC-UHFFFAOYSA-N 431.462 4.768 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCS[C@@H](C(C)C)C1 1300981323 XWGPLNXTWAMJDL-OAQYLSRUSA-N 437.613 4.664 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(F)(F)C1)c1ccccc1 1301003426 JTKFFNYKQBALJG-UHFFFAOYSA-N 448.315 4.605 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOCC2(CCC2)C1 1301016683 BHDCNMDDMRYERB-IBGZPJMESA-N 430.980 4.794 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1301173343 FZDATAYPAWSBSX-SFHVURJKSA-N 429.996 4.764 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@H]1CC 1301245362 BAANGTKDPFCCOZ-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2cccs2)C1 1301538669 JUHUXZJBTSCLCJ-ROUUACIJSA-N 442.560 4.643 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc1 1310196908 XPRNLLYGXKVKNS-HXUWFJFHSA-N 435.572 4.759 30 10 IJEE CC(C)(C)c1csc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1C#N 1310780848 AFCMPCUHJCEMMK-UHFFFAOYSA-N 432.540 4.982 30 10 IJEE C=CCN1CCC(NC(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)CC1 1311893824 JUKGWOJHZQORLK-AREMUKBSSA-N 438.660 4.503 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2cc(C)nn2-c2cc(C(F)(F)F)ccc2Cl)C1 1320138643 RGNHTSWTUPWLCI-CQSZACIVSA-N 428.842 4.662 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1350614831 ADAHMEMEVAULPH-KOSHJBKYSA-N 426.495 4.783 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cc2)CCCC3)nn1 1358180910 FIZUIDADLDZZHZ-UHFFFAOYSA-N 440.956 4.931 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1ccsc1 1358879695 WTQPCVJDYWCRHN-OAHLLOKOSA-N 429.387 4.778 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@](C)(OC)C1 1358908620 DRKVPJMVLGVDHT-NRFANRHFSA-N 431.378 4.516 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]2CCC[C@H]21 1359078583 IESHOKFGUZYSGA-RHSMWYFYSA-N 432.322 4.531 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OC)nc1 1359109406 ZRKPWEITQPLBNN-UHFFFAOYSA-N 448.390 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1359184393 NIZMTRTZQUXXPA-HXUWFJFHSA-N 432.996 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1359184583 SYLZZUIIGIIYCG-HOTGVXAUSA-N 432.410 4.741 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC=CCO1 1359196876 WKVYESYCGLCZEU-SFHVURJKSA-N 448.409 4.574 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1csc([C@H](C)OC)n1 1359259204 OGIPTOUKVKIJPO-FXAWDEMLSA-N 439.585 4.534 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc2ccccc2s1 1359273812 OYSSDORSCGSDFV-UHFFFAOYSA-N 449.605 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(F)cn1 1359274392 LRQWHNDNAUEDSG-UHFFFAOYSA-N 448.329 4.925 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1359285091 FIOYWNBOJKNQJU-MSOLQXFVSA-N 445.405 4.845 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1 1359306913 UZAMNFMCBMHTAA-GJYPPUQNSA-N 438.494 4.561 30 10 IJEE C#CCN(C(=O)[C@@H](C)OCc1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1360557204 QEPKQRKEONMCQD-DYESRHJHSA-N 442.353 4.648 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(OC(F)(F)F)cc1Br 1434951854 DKRREHCTRYOAOA-UHFFFAOYSA-N 430.195 4.762 30 10 IJEE O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(OCC(F)(F)F)cn1 1435912318 FPCJRUQQECBJMN-UHFFFAOYSA-N 436.327 4.642 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCCc4cc(C(F)(F)F)cc(Cl)c43)cc2C1=O 1439102136 IUJNANNQQQYPKI-UHFFFAOYSA-N 448.828 4.734 30 10 IJEE C=CCSc1ccccc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1439200356 QHZJRGRBIJVRPX-GOSISDBHSA-N 446.613 4.501 30 10 IJEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)cc(C#N)c1 1454718405 BXWKKQZEBCFQJJ-OAHLLOKOSA-N 429.451 4.563 30 10 IJEE CC(C)(C)c1cc(CCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc(C(C)(C)C)c1O 1455475177 AETRZNBJMQAQFQ-UHFFFAOYSA-N 448.611 4.535 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1 1469491587 PESXOLVCXBFSOD-PKOBYXMFSA-N 449.448 4.957 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1469493120 ZUSLSWNYJSZHGQ-DLBZAZTESA-N 443.466 4.563 30 10 IJEE C=CCC(F)(F)C(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1472457751 QJVKTTREVADFMQ-KRWDZBQOSA-N 436.499 4.608 30 10 IJEE C[C@@H]1CCCCN1C[C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1473169619 CCFASHUVKQBJTC-VAMGGRTRSA-N 442.673 4.802 30 10 IJEE Cc1cc(C)c(CCNC(=O)CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c(C)c1 1473572663 DTVHFWCGHDIRPQ-LJQANCHMSA-N 431.502 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1c(C)sc(C)c1Br 1507542749 SFJXNRJHJLHLLX-LBPRGKRZSA-N 449.443 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCCC1 1507547618 PDQQLIPCVQMCIF-KRWDZBQOSA-N 432.037 4.556 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(OC)ccc1Br 1507577654 RXOFBEILNNYNMI-UHFFFAOYSA-N 443.345 4.667 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C1CCCCC1)N(C)C 1507609446 WJGFLABRSFGYQR-FQEVSTJZSA-N 434.415 4.832 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCN1CCC 1507699023 ZAKZHSSJXBKCCO-NRFANRHFSA-N 425.646 4.603 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(C)C[C@H]1CC=CCC1 1507790419 JBFAXQVVJOWFHQ-INIZCTEOSA-N 435.341 4.697 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1507795058 BRWXDDNZGGGDKK-LEEZEASISA-N 440.632 4.924 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N(C)C)nc1 1507812986 RKZKLVPGCFIYTC-NRFANRHFSA-N 448.615 4.947 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C[C@H]1CCCCO1 1507832707 MTNFSVDICYNIJX-HXUWFJFHSA-N 432.996 4.833 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@@H](C)C1 1507838338 AESGTJTYMFMPFN-IRXDYDNUSA-N 432.659 4.666 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](C)C1 1507847836 LREMJEOHRPBRIQ-MOPGFXCFSA-N 430.618 4.654 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCCC[C@H]2C1 1507858466 MLNIUCJHHMBROL-HNNXBMFYSA-N 426.779 4.679 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCOC[C@H]2C)CC1 1507897860 UAHBGQHTGYKUAE-HBFSDRIKSA-N 428.552 4.632 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@H]1CCC(F)(F)C1 1508000200 SVBBHHARLQJZBY-FQEVSTJZSA-N 434.494 4.840 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CC1(C(=O)N(C)C)CCCC1 1508005851 YVHDQHIVZDEZKI-IBGZPJMESA-N 441.595 4.772 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1508008176 LFUROMSUAWGJDA-YRPNKDGESA-N 430.618 4.630 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Cc1cccs1 1508008757 SPMOXOLAFFXVRX-ZWKOTPCHSA-N 428.627 4.976 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1508019327 FSEHRIVHQKUFMI-NLFFAJNJSA-N 425.596 4.697 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1Cc1nc(C(F)(F)F)cs1 1508033553 NRVRLSKVLVTFCE-UHFFFAOYSA-N 437.491 4.897 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(CCC)CC1 1508107317 ZHSYMQKQLMHSCN-UHFFFAOYSA-N 449.599 4.770 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)c2nccs2)C1 1508123624 JEGUEOXPPUDPNC-LPHOPBHVSA-N 444.004 4.564 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(I)c1C)c1ccc(F)c(F)c1 1517409209 GTXLAEOZBIYJKI-KRWDZBQOSA-N 427.232 4.925 30 10 IJEE N#Cc1cc(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)nc2ccccc12 1520853615 BJWJSCHAIONILZ-OAQYLSRUSA-N 435.325 4.645 30 10 IJEE C=CCOc1ccc(COC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 1521898049 HDUFPFRWIVIRPJ-UHFFFAOYSA-N 425.506 4.678 30 10 IJEE Cc1cc(F)c(C(F)(F)F)cc1NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F 1524304061 IDUSXOGONHAPDV-UHFFFAOYSA-N 429.313 4.699 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc(Br)c3cc(C)oc23)c(C#N)cn1CC 1525795556 GFOVCYRHVQAKLM-UHFFFAOYSA-N 444.285 4.626 30 10 IJEE N#Cc1cc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)ccc1Br 1527158241 FQTDGCMQIOTSND-UHFFFAOYSA-N 440.322 4.565 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1527931549 HBUADMYSOVVVFD-KKSFZXQISA-N 435.326 4.867 30 10 IJEE C=C[C@@H](CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1530555938 KGTGPAAQVPHCGT-CVDCTZTESA-N 426.988 4.968 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)cc1OC 1530580781 IRCHLIPYMDAWKI-DHZHZOJOSA-N 427.460 4.971 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC(C)(C)F)ccc1Cl 1531381118 RTIKIBXHIDEJBN-UHFFFAOYSA-N 438.952 4.589 30 10 IJEE C=CCCC(C)(C)CNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1534583182 ZNNJEBMEBJHCML-UHFFFAOYSA-N 442.419 4.644 30 10 IJEE C#CC[C@@]1(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)CCCN1C(=O)OC(C)(C)C 1537431759 KCDWDUAHAIWIAZ-SBUREZEXSA-N 433.618 4.887 30 10 IJEE C=CCN(C(=O)Cc1csc(C2CCCC2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1538618656 NFAJRDOAVHLKHJ-OAQYLSRUSA-N 426.582 4.532 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 1538889726 CBVNXZABBYKUAD-RHSMWYFYSA-N 431.514 4.504 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(F)c(F)c1 1538997100 PYYPZGHLWNVEDQ-VLIAUNLRSA-N 449.295 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1csc(C(C)C)n1 1539024559 WPSFEWCBJOPIAV-KRWDZBQOSA-N 432.597 4.631 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1CC 1539391793 ICEWTPSURHABIU-PKTZIBPZSA-N 448.590 4.745 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCC2(C1)OCCO2 1539650785 VNILKOQLBJOTRJ-MOPGFXCFSA-N 444.551 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C2CC2)c1 1540051721 LOOGILNAQAKTAE-UHFFFAOYSA-N 426.362 4.594 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Oc2ccccc2)nc1 1540058844 YIDCPBPQRSBHHK-UHFFFAOYSA-N 432.915 4.851 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCc1csc(C(C)(C)C)n1 1540120845 WTGBIAFNQGDXMI-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(Cl)nc1 1540126989 AQWFVYUILJYKOR-NRFANRHFSA-N 448.958 4.681 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccnc(Oc2ccccc2F)c1 1540189601 WPEKDUMTKPOLIO-UHFFFAOYSA-N 439.535 4.589 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1540854075 FARVOBZVVNJILZ-JOCHJYFZSA-N 445.615 4.554 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(O)CCCCC2)C1 1540886031 UIQJAMDBIJWYKF-QFIPXVFZSA-N 438.616 4.719 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1540916020 RDIVUKLVJVIRHX-RTWAWAEBSA-N 428.602 4.789 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)cc1 1543801478 PYPRMPOQNDDJRO-UHFFFAOYSA-N 442.353 4.651 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)CCc1nc(O)c2ccccc2n1 1544686002 BZDYMIPROXJLJC-UHFFFAOYSA-N 425.444 4.675 30 10 IJEE C#C[C@@H](NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1)c1ccc(Br)cc1 1556782099 WNTLVXGPJPGZFV-GOSISDBHSA-N 446.366 4.622 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1557475771 VGIFQKWGHPLNKQ-VFNWGFHPSA-N 434.508 4.630 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)C(C)C)c1 1561087690 ZBASBVYPKUXJLC-FDDCHVKYSA-N 428.598 4.792 30 10 IJEE C#CCN(C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1565283852 RWJPFISHXHMHPX-JOCHJYFZSA-N 439.600 4.889 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)OCC 1566656515 ODMCUYJHGJJZKB-ZCYQVOJMSA-N 426.988 4.945 30 10 IJEE C=CCn1c(SCC(=O)NCCC(C)(C)F)nnc1-c1ccc(Cl)cc1Cl 1585727456 ZTLVCCUCWDJAJE-UHFFFAOYSA-N 431.364 4.784 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)c1sccc1C 1586012350 NBVZNQUIFFVPPQ-PMACEKPBSA-N 426.582 4.763 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 1586031983 UVEIHZISTXJQGS-PKHCJMHPSA-N 444.553 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1589640879 BHHDGCHDYAELQS-IBGZPJMESA-N 446.599 4.628 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](OCC(C)C)C1 1594703189 FIBCYPXDBYUAEH-QGZVFWFLSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1594760142 FEOUUBCCZGDNDJ-UHFFFAOYSA-N 448.493 4.520 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1595108577 CXDWNOLRZNWHRP-RTBURBONSA-N 449.521 4.903 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C 1595260021 FXJOAKBTKAFRFX-QFIPXVFZSA-N 425.621 4.884 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)c1c(C)noc1C 1595283508 QWUVOFWHRDUREY-QGZVFWFLSA-N 446.555 4.541 30 10 IJEE C=CCSCCn1c(N2CCCC[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595905293 GLNPUKMJDVJNNY-QRVBRYPASA-N 449.665 4.594 30 10 IJEE C#C[C@@H](NC(=O)CCCCc1ccc(I)cc1)c1ccc(F)cc1 1596936816 QXGMYOJQPFWLKL-LJQANCHMSA-N 435.280 4.634 30 10 IJEE Cc1ccc2nc(CSCC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)cn2c1 1597981318 CPCIBVKWJIZFTB-UHFFFAOYSA-N 429.505 4.574 30 10 IJEE C#CCN(C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C(C)(C)C 1598261227 NXJJJGGMRGCGMU-UHFFFAOYSA-N 427.342 4.504 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](OC)C(C)(C)C 1613822692 DRBRBWIORRFARF-PXDATVDWSA-N 439.604 4.611 30 10 IJEE C=CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N/c1ccccc1C(=O)O 1614234083 CBKNBPWZRUSJFE-LBCNESNHSA-N 443.322 4.937 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1 1616818425 VAHNYFWSEYEQLN-JGCGQSQUSA-N 443.528 4.547 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CC[C@@H](F)C1 1619110232 DWXBKQKUFLLCQA-LBUQITIBSA-N 431.943 4.875 30 10 IJEE CC[C@H](C#N)Oc1cc(CNCc2nc3cc(Br)ccc3o2)ccc1OC 1620792569 AJDUJQUAAHJEFA-OAHLLOKOSA-N 430.302 4.570 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)c1 1623033528 DLNJKJQEZILUJS-UUOWRZLLSA-N 429.561 4.800 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 1623686056 AUEIWFYNOLJSQY-JOCHJYFZSA-N 440.515 4.583 30 10 IJEE C=C(CN(C)C)C(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 1627640072 SPIMMXLRUXFNFU-UHFFFAOYSA-N 429.358 4.850 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1631154747 LQJJEMNAVXCRCX-WOJBJXKFSA-N 431.458 4.817 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(F)(F)C1 1632660218 GLEGPDVXZDSQSL-HXUWFJFHSA-N 446.881 4.514 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 1635815467 UDNSGRYLRHRCQS-LJQANCHMSA-N 436.394 4.548 30 10 IJEE C=C(C)CONC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1639694503 GKMBWJNUPZOCRZ-UHFFFAOYSA-N 449.363 4.957 30 10 IJEE Cc1cc2c(NC(=O)COc3ccc4ccccc4c3Br)n[nH]c2cc1C#N 1639802706 BBJUQXOMGIWPKI-UHFFFAOYSA-N 435.281 4.676 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)CCCN1C(=O)OC(C)(C)C 1642150308 YLQSTDHLLLNVDB-QFIPXVFZSA-N 432.471 4.639 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN[C@@H](CO)c3cccc(F)c3)c2C#N)C1 1645007566 CQZLEBOBNKQZDB-UZLBHIALSA-N 443.588 4.562 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccc(C)cc3)C2=O)nnc1-c1cccc(OC)c1 1651850975 QRRTUURZGCVYOV-NRFANRHFSA-N 434.565 4.736 30 10 IJEE C[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1C#N)Oc1ccc(Cl)c(Cl)c1 1654958349 HNWVRYXVIRTEFO-NSHDSACASA-N 433.744 4.606 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)C1 1657604035 LBWCEGQSHMLMBX-LJQANCHMSA-N 427.570 4.722 30 10 IJEE C#CCCOc1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 1658102719 WBCZQVNCAQOHAA-WUFINQPMSA-N 428.551 4.986 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C)C(C)C 1659858220 VTWKFMWJFVPIGQ-JOCHJYFZSA-N 442.604 4.804 30 10 IJEE Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C3)cc1 1661979637 FSVCGLUBJQCIHH-UHFFFAOYSA-N 429.524 4.820 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](C)c2cc(F)c(Br)cc2F)cc1 1664522715 BVNTTWMCWSJFLD-GFCCVEGCSA-N 430.314 4.885 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)cc1 1666815846 VQLWHFFNLZEFDT-RDPSFJRHSA-N 448.629 4.511 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 1667557182 FDVPQULHRZSDMW-CTNGQTDRSA-N 433.618 4.816 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)c1 1668176191 CXAKARVFPOSOIP-IBGZPJMESA-N 428.483 4.583 30 10 IJEE Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1673090289 BRMHEZPTHJAKJL-VIFPVBQESA-N 426.336 4.901 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1 1675603604 IIRDYHLVZHZVIF-VQTJNVASSA-N 430.932 4.541 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nnc(-c2ccccc2OC)s1 1677773728 BMIWTJFWURCALQ-UHFFFAOYSA-N 426.546 4.601 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccccc1 1679189359 DDGCOZXYKJCWKP-NHCUHLMSSA-N 426.358 4.800 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](C)C1CCN(C(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 1680633955 VJTZDZZVLQBKSN-DNVCBOLYSA-N 441.494 4.879 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 1680670173 MNBSVCNSFWUDHC-UHFFFAOYSA-N 432.612 4.507 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1682047655 IHZYVHXUODZEHM-BJKOFHAPSA-N 447.579 4.740 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 1682356832 NYVWEHQLUPVECQ-QHAWAJNXSA-N 445.332 4.560 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCO[C@H]1CCCC[C@H]1C 1689949827 TVBJVJNBOSUAIY-BEFAXECRSA-N 449.368 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCC1(F)F 1690054061 OCWKEFKDCFRFLG-GOSISDBHSA-N 446.929 4.799 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CC[C@](C)(CC)C1 1690165781 JOVOHQUOZWWCID-FQEVSTJZSA-N 433.419 4.700 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(COC)CC1 1690237785 AOVXVYXJMIBAEX-FPOVZHCZSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCc2cccnc21 1690271223 IJFCKUSGQOHNOR-HXUWFJFHSA-N 435.547 4.914 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1690281464 YBYDGIRVONGSRW-MRXNPFEDSA-N 441.929 4.885 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690455620 LYLSGNWJGHKHDS-GOTSBHOMSA-N 438.616 4.983 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(OCc2ccccc2F)CC1 1690469105 DSFLOYZKDRUQKA-JOCHJYFZSA-N 428.552 4.811 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690486362 GXQGVFMROOSTRE-UHFFFAOYSA-N 446.933 4.805 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@H]1OC 1690553952 OAPPXRPMZHVZRP-IFMALSPDSA-N 436.556 4.863 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)c1ccccc1 1690577081 BGFCYQRDAIHSCN-RXVVDRJESA-N 435.597 4.677 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=C)Br)C1 1690686266 LCOITRAEZZTQJF-RTBURBONSA-N 431.378 4.510 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)CC1 1690752486 JUXFACWCNXUIAL-IBGZPJMESA-N 449.665 4.896 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1)c1ccco1 1695622495 DDWUFTHGRBNHMB-MZKRTTBSSA-N 446.599 4.975 30 10 IJEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(F)(F)C2)CC1 1695642581 DULCMVXXFCPLBP-IBGZPJMESA-N 442.558 4.563 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccsc1 1705482593 CJORCZDCYOUHKA-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 1705512571 HQDGXGJCQUESJR-RUZDIDTESA-N 435.572 4.676 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2ccccc2C)C1 1705592971 AEOODWCIHCOQRQ-MEMLXQNLSA-N 429.955 4.884 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC1 1705668617 QBHLOGLHEVUVNW-BKMJKUGQSA-N 435.616 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@H]1CCCC[C@@H]1C 1705678501 DKBXXNVEXYWGTJ-NBZYBJRUSA-N 442.648 4.784 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705887495 KMIQILVOIDPNJY-SJORKVTESA-N 425.577 4.918 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCSC1 1705940679 LPTZOQDUERWLJE-MRXNPFEDSA-N 439.448 4.569 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCCS1 1706921530 BOHSOHCAWLYFDB-PKOBYXMFSA-N 443.592 4.973 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCCC1 1706997047 DRAVAARTAOOVJB-GOSISDBHSA-N 449.628 4.601 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2OC(F)F)o1 1707360782 BRIACIVQSWYJOW-QFIPXVFZSA-N 427.455 4.626 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCN(C(C)C)C1 1722282228 PNLOPPAWXJGLOV-HSALFYBXSA-N 439.673 4.710 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCc1ccccc1 1722309266 AGLYKOPZUUFGFW-UHFFFAOYSA-N 440.389 4.908 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722338126 MCBPOEQEZSFLMZ-FCHUYYIVSA-N 436.600 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1Cc1csc(C)c1 1722390071 ZBDQYUQQKNRQEE-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(F)(F)F)cc1C 1722473286 CCKVTHAUHCILLZ-XMSQKQJNSA-N 432.490 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC(F)F 1722493017 VQUJUDHKBHJXRE-YRNRMSPPSA-N 438.494 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nnc(CC)s1 1722499931 ANVQZVGOUGGSOI-HNNXBMFYSA-N 442.658 4.996 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CCC(F)(F)F)CC1CC1 1722506947 NQWZDVIWXDQRSP-ICSRJNTNSA-N 449.521 4.799 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CCc1ccc(Cl)cc1 1722508822 UOBPHPWAGADLES-GHTZIAJQSA-N 425.964 4.587 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1722517318 JKXRXXDDOCZFIF-HSZRJFAPSA-N 439.648 4.560 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCCC[C@H](C)C1 1722529889 GXBCPRNEGMNMLE-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C)C1 1722530668 YGXLOMVIBORXBD-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(CCCCC2)C1 1722530990 LAEPWOPWKAVOEG-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@H](SC)C1 1722536675 YSCJYBWISOUBJN-QFIPXVFZSA-N 444.645 4.789 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N2CCCCC2)CC1 1722620177 OPBZXGDVEKZGMI-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1cn2ccccc2n1 1722670470 MBQPBASNRGIOTF-UHFFFAOYSA-N 432.959 4.591 30 10 IJEE CCc1nc(C)c(Cn2c([C@H](CC)c3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)o1 1727449262 BXVYCHWWFATBCQ-CJFMBICVSA-N 432.572 4.857 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1sc(C)nc1C 1740557750 OKCKVMHGPPVAPO-QGZVFWFLSA-N 437.613 4.868 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CCC)C1 1740577977 VEFKHFRQEGXOHN-HSZRJFAPSA-N 438.616 4.963 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740585563 VZMBPAMVNHBTRC-RTBURBONSA-N 448.640 4.709 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(Cc1ccc(F)cc1)C(C)C 1740741206 GRAVSBWVQBIGNE-UHFFFAOYSA-N 432.341 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740770301 NLZPDHWAMGJXTK-OALUTQOASA-N 432.012 4.500 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCSC2(CCCCC2)C1 1740789500 FPCPIHUGSGTDKH-UHFFFAOYSA-N 448.036 4.842 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)c2ncc(C)s2)CC1 1740820881 VMLQZRLIPKEBAA-MRXNPFEDSA-N 439.585 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC2CC2)CC1 1740852021 IDISXNVSMIWTCQ-UHFFFAOYSA-N 437.632 4.608 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(OC)ccc1Br 1740875537 FGUAGKYYSDWAMB-MRXNPFEDSA-N 449.393 4.546 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCCc2sccc2C1 1740886358 DYZUSAKDZKCLHJ-UHFFFAOYSA-N 426.561 4.615 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(Cl)s1)C1CC1 1740908405 XFJCVJIWGNWCRV-UHFFFAOYSA-N 438.782 4.954 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1(CC)CCOCC1 1740915551 KSMWEMQLYVBGFZ-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1c(CC)nn(C)c1CC 1740929784 IAETTWQRRPBTJD-UHFFFAOYSA-N 429.572 4.511 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1741003835 GOIWFLRQYQVSTJ-RXVVDRJESA-N 440.638 4.816 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCCC1 1741787479 FMTFBLCUEUTWDC-IBGZPJMESA-N 432.572 4.872 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCO[C@H](C)C1 1748724004 GXIVHSLRWLVFDH-MRXNPFEDSA-N 437.371 4.583 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1748868419 WHNFAKHJTMQRMJ-RGODFAACSA-N 445.655 4.793 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1749242394 HSBFRPYNSAJGHN-HXUWFJFHSA-N 425.577 4.561 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1)c1ccccc1 1749243964 CIXDPJHYBWEFHV-NZQKXSOJSA-N 435.616 4.780 30 10 IJEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1749259803 CFJQUSPEXAUFLJ-UHFFFAOYSA-N 441.938 4.782 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(OC(F)F)c(OCC)c1 1749285015 RWWSTUVHYSOUKS-MRXNPFEDSA-N 442.894 4.519 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)O 1749383639 CBQWHEILPFGUHZ-UHFFFAOYSA-N 427.412 4.723 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)CN1CCCCC1 1749539120 UHANIDUTYLUNRB-ISKFKSNPSA-N 437.632 4.834 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CSCCS1 1749584820 RXCKPRDBEXHBON-LEWJYISDSA-N 444.670 4.603 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C1CC1 1749687153 MFESQYPLHOTHFT-UHFFFAOYSA-N 442.361 4.638 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C)C2(CCC2)C1 1749764007 PPFPXIXJGHSJNP-SFHVURJKSA-N 430.593 4.932 30 10 IJEE CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCn1nc(C)cc1C 1752639669 BGQQWBMAWZTSOU-SFHVURJKSA-N 431.588 4.736 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC(C)C)C1 1760161507 KTYYXPCTJGLHLL-LEWJYISDSA-N 443.636 4.678 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC[C@@H]1CCCCO1 1760165118 JWWXPQSBHNUJHQ-QHCPKHFHSA-N 431.584 4.771 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@H](F)C1 1760224006 ULJPLJOLHJFBFU-IRLDBZIGSA-N 436.575 4.756 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1760237582 NSGFYFJFMLYAPM-QPPBQGQZSA-N 438.616 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CCC(OC)CC1 1760333570 AFWFFODESHPXDJ-UHFFFAOYSA-N 434.588 4.738 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1760354285 VEVYXLMRFGIDAY-IFMALSPDSA-N 441.620 4.530 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760399233 FFZVPAVNWLCLTQ-AVRWGWEMSA-N 442.604 4.552 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1760403399 QMZKVXXIBULSGZ-SFTDATJTSA-N 439.623 4.778 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1760404513 CIZUNFDJKPTWNE-PKOBYXMFSA-N 430.980 4.728 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(C)C 1760447304 HQECBUUDAOUNBB-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cn2ccc(C)cc2n1 1760496680 CBJZNAZGWAGZTN-UHFFFAOYSA-N 442.567 4.657 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1760559168 DGJVZDUZGBDKJX-JTSKRJEESA-N 429.565 4.606 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)[C@H](C)CC 1861073612 GBYYMBMCYJEXNX-ANWTUITASA-N 432.605 4.725 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccccc1 1861851954 HUFOWAGDCRSACA-VWLOTQADSA-N 440.584 4.581 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(O)c(OC)c1 1862420423 LEDSGGBWALJEKV-OAQYLSRUSA-N 445.462 4.838 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432491 FZBGMQYYBLGXOY-KKSFZXQISA-N 436.895 4.579 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccccn2)c1 1862456481 SHACEZBLAKOUDL-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862476998 RFWLJTCGEYGCCJ-QMHKHESXSA-N 429.472 4.746 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2cccc(F)c2)cc1 1862590273 FOOFSAYVWOTIRG-IQMFZBJNSA-N 447.462 4.879 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(F)cc1 1862615985 NTWQMQTZOLQPLZ-OAQYLSRUSA-N 425.500 4.738 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678082 NORFPXWVKVEGLF-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863123488 QOUYBABAFFUAPK-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N(CCCCC)C1=O 1863751234 SHSQKABGSTUMTR-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1cccc(C)c1 1864860920 BTJWJENUAJGIPK-NRFANRHFSA-N 442.563 4.511 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 1866141496 VGZYBTBHUYPRSI-QFIPXVFZSA-N 447.535 4.826 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C)S(=O)(=O)c1cccs1 1871944018 PTBUAQLERVTEEK-KRWDZBQOSA-N 447.409 4.895 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(N(CC)CC)cc1C)[C@@H](C)CC)S(=O)(=O)C1CC1 1872589681 ROZQJQFISWMCGU-FDDCHVKYSA-N 449.661 4.565 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1/N=C/c1c(C(=O)O)[nH]c2ccccc12 1873500088 CRRCFPQQNXQQOZ-ZMOGYAJESA-N 433.537 4.893 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccc(O)cc1 1874202154 NAJVOCCHISYCQT-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)c1 1874242282 XMIPJBFVFPSQIM-ZVHZXABRSA-N 426.586 4.658 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccc[nH]2)c1 1874261666 MQYCWBIIYDFVNC-BRJLIKDPSA-N 425.464 4.638 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874303156 KQAMLDUUQKKLRZ-ZXVVBBHZSA-N 443.576 4.880 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1OC 1874369765 QBFSQMOMLLEEPY-YDZHTSKRSA-N 444.944 4.535 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)cc1O 1874380165 ZNWKYQQQBXGGSG-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccc(C)c1 1874440303 SQFCYMCIGYHRHG-LFVJCYFKSA-N 429.634 4.798 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cccc(F)c1 1874504549 SCMNEPLHXRECIV-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(F)cc1F 1874576836 IEDAXXWSAJWCNM-XVNBXDOJSA-N 438.268 4.528 30 10 IJEE COCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 1875135477 RSQVDYJBQXZBLV-QPJJXVBHSA-N 439.291 4.849 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCc3cccc(C)c3)ncnc2n1Cc1ccco1 1875233896 WWTIIFFOGXSBOZ-UHFFFAOYSA-N 441.535 4.807 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C#N)cc1 1891302744 BAEBSRQSBCTTIN-PMACEKPBSA-N 448.375 4.897 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F)NCC 1922115959 MBMHHMQIVAQGMZ-OALUTQOASA-N 430.511 4.925 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cccc(OC)c1Br 1927271340 RNKUXFRSRVJDIB-YADHBBJMSA-N 434.374 4.632 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1963329068 ZUHWZQFOACWJIK-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@](C#N)(N(C(=O)OC(C)(C)C)C3CCCCC3)C[C@H]21 2065610694 ZXLGEKYXAOJIKH-IECBHUPTSA-N 449.592 4.617 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C#N)c2I)c(O)c1 2079007667 XCQRMVDYROPIIO-SFHVURJKSA-N 433.293 4.640 30 10 IJEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(C(F)F)c(/C=N/O)c1I 2079025510 NPXMQRRZNRJVJR-NXSNIQIJSA-N 433.240 4.850 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079039392 BYYBCXOMJNANHA-CYBMUJFWSA-N 431.199 4.686 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)c1ccsc1S(C)(=O)=O 2150480390 GLGNYMAUDGZNSF-HNNXBMFYSA-N 426.947 4.811 30 10 IJEE C=CCC1(NC(=O)c2sc(C)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2229367774 DPTBRXQSWKSTNV-UHFFFAOYSA-N 443.407 4.895 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Br)cc2OC)C1 2231166819 OHUTUFIOMBOLHM-QGZVFWFLSA-N 425.367 4.579 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CCN(C(=O)OC(C)(C)C)C1CC1 2235735097 YRTQKTPTLQMZID-SFHVURJKSA-N 435.406 4.958 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)cc1 2255648205 KEHAYBVZMWYZEO-OAHLLOKOSA-N 430.354 4.837 30 10 IJEE C=CCCC1([C@H](NC)c2c(Br)cnn2C(C)C)CN(C(=O)OC(C)(C)C)C1 2281031135 BCIDOHMZUZFWCA-QGZVFWFLSA-N 441.414 4.690 30 10 IJEE C[C@@H]1[C@@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)CC(C)(C)CN1Cc1ccccc1 2283020006 QTCGPDBBAWIOCP-DVECYGJZSA-N 449.448 4.669 30 10 IJEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)SC1=NCCc1ccccc1 2295213149 KBHSRPGAJOXYPX-UHFFFAOYSA-N 439.606 4.990 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CCC1CC(NC(=O)OC(C)(C)C)C1 2296220539 ZBHRZXRLUPYOJQ-SYYJFZTOSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2296221323 HRGCXCKEHGUAGM-OALUTQOASA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2296221627 KGROVGBRMCHALX-OXQOHEQNSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2296295457 DDGQVTCPKFKNON-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CC[C@](NC(=O)OC(C)(C)C)([C@H](C#Cc1ccc(Br)cc1)NC)C(F)(F)F 2296299994 BMWCTGRWEXXSAW-YJBOKZPZSA-N 449.311 4.624 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3[C@H](c3cc5ccccc5nc3O)CC(=O)O4)C2=O)o1 2297591982 NCLUYZSTWPIDQM-KRWDZBQOSA-N 439.423 4.899 30 10 IJEE COC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)Nc1ccc(C)c(C)c1 2297650005 GVEKAPZRNDJEJD-PXNSSMCTSA-N 431.458 4.531 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 2305323310 UCIXOJUFKNRXPA-NLFFAJNJSA-N 428.573 4.603 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(C(C)(C)C)cc1 2321178280 KBGULCDCQJGSMJ-UHFFFAOYSA-N 432.553 4.707 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1)C3=O)CN(CCCCN(C)C)CO2 2322383952 NDNJRMNPAGCPAQ-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE CCCN(CCC)C(=O)COc1ccc2c(c1)OC(=Cc1ccccc1OC(F)F)C2=O 2325198290 AWQLDOSAJNMBSS-UHFFFAOYSA-N 445.462 4.932 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)Nc1ccc(F)c(F)c1F 2325530423 WGJWHBKPUPHZSP-UHFFFAOYSA-N 443.352 4.877 30 10 IJEE CCCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc(O)c(OC)c1 2327385546 GKFSIVSOCKNZFZ-UHFFFAOYSA-N 440.569 4.908 30 10 IJEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2328729936 RUGOSTXQEMOLLL-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C=CC(=O)c2ccc(Br)cc2)c1 2329423951 KMYNRBFLJZNPFL-UHFFFAOYSA-N 430.298 4.784 30 10 IJEE Cc1cccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2331377335 LOSCGVYNYVWTJF-UHFFFAOYSA-N 425.514 4.672 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2331434364 RPBNXLRKCYCXAR-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CC(C)c1nnc(SCCCO)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331707274 IMECPWDMEJQYPU-UHFFFAOYSA-N 444.988 4.991 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C#Cc1cccs1 2338392949 MCZYSDDDGHXVKH-QGZVFWFLSA-N 434.355 4.567 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2339574220 FECRQCOFSWHWDC-LVMGUKCRSA-N 442.365 4.505 30 10 IJEE Cc1c(Br)cccc1COc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364940717 GBYHRHUKNXFWDJ-UHFFFAOYSA-N 438.558 4.684 30 10 IJEE Cc1cc(CNC[C@H]2CCN(Cc3ccccc3)C2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369687272 JFHGCTZRGCBRMC-XMMPIXPASA-N 448.460 4.685 30 10 IJEE C=C(C)COc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)c1 9697512 BNYXJTWVMHPLLN-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N3)c1 9731790 QNBIIGMJTRMEBF-QFIPXVFZSA-N 448.498 4.760 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCSc1ncnc2sc(C)c(C)c12 63250348 PZUVOAMOIIXXAA-UHFFFAOYSA-N 442.566 4.913 30 10 IJEE O=S(=O)(CCOc1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 70879198 XBGKGKQQJLODDZ-UHFFFAOYSA-N 431.329 4.684 30 10 IJEE CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC[C@H](O)CO 95866540 DUUKZBGYNMHUHO-PKTZIBPZSA-N 432.642 4.522 30 10 IJEE COc1cccc(-c2nsc(NC(=O)c3occc3COc3cccc(C#N)c3)n2)c1 97545703 WZIBTUAUJLFOOM-UHFFFAOYSA-N 432.461 4.510 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 102506123 LDQFAHIFZOKZJH-FEYWKWKCSA-N 428.488 4.805 30 10 IJEE CCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1OCC 169943473 LNDNLTCUZLBKEQ-UCQKPKSFSA-N 425.510 4.840 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 169979462 ZVXRSPQQPHUKHE-DEOSSOPVSA-N 447.531 4.930 30 10 IJEE N#Cc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 169981488 RVXNRVHELLDMCG-UHFFFAOYSA-N 427.441 4.543 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)s1 169988041 QTVNXVJVPBHTLL-MRXNPFEDSA-N 432.473 4.883 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 170195871 QQGNUQGBRISGBQ-IBGZPJMESA-N 443.341 4.921 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272783 HJBNTRDHIRTJJK-QFIPXVFZSA-N 439.427 4.558 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@@H]2c2ccc(C)o2)cc1 170303819 IXWMLTYXBGTIFC-QHCPKHFHSA-N 444.487 4.508 30 10 IJEE C(=NNc1nc2ccccc2[nH]1)c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 254396395 NDQSPXZKUWXFKK-UHFFFAOYSA-N 436.475 4.633 30 10 IJEE O=C(Oc1ccc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccnc1 254595801 OJQTYGFOONJRQU-UHFFFAOYSA-N 430.342 4.674 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccccc2F)/C1=C(O)\C=C\c1ccccc1 254799554 ZHRNKKDBIKBEBO-NYEASIKNSA-N 443.430 4.706 30 10 IJEE C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4C(=O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 328578004 FYASCXLQDJNFAF-JDIRLSAISA-N 428.613 4.893 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 460789907 CIHFRPYJLBRZNP-UHFFFAOYSA-N 445.523 4.863 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 476162279 UDKMWZTVSJGVFD-GKVSMKOHSA-N 425.573 4.614 30 10 IJEE Cc1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)nn1-c1cccc(C#N)c1 502632922 ISOULNMOZVMMTL-UHFFFAOYSA-N 434.805 4.899 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(Oc2ccccc2Cl)CC1 508512729 ZVUOOZLAYWPJRA-QFIPXVFZSA-N 436.943 4.842 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 515435341 GZWKFRHOFCWCGS-HXUWFJFHSA-N 429.524 4.685 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2OC)c1 516677116 PGTYXGWKXVJEDS-NMNUPHIUSA-N 434.536 4.672 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)c(OC)c2)cc1 526605102 UHPJXBZHAXXERU-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1ccc(F)cc1 526830661 SAYAMYZRGUJBME-QRVIBDJDSA-N 430.505 4.704 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 539397002 GCXNYJGLZFJFLN-UHFFFAOYSA-N 428.338 4.626 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](COc2ccccc2Cl)C1 555269425 NPUHFMPCZSMIPY-IBGZPJMESA-N 437.975 4.789 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 558984822 ZZUDYJHBWWJDKT-IBGZPJMESA-N 448.596 4.708 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609063856 CYADHBZIGBLZTO-VWLOTQADSA-N 445.494 4.921 30 10 IJEE Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc(C#N)cc2F)cc1 609229797 SVJODTLUHPDQLM-UHFFFAOYSA-N 433.508 4.667 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C[C@@H]4CCOC4)C3)n2Cc2ccccc2)c1 619817971 FLEGTHUWBPWEBU-PKTZIBPZSA-N 427.552 4.508 30 10 IJEE COc1c([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c(C)nn1C 698459144 VARAQOQMVXGBMU-OAHLLOKOSA-N 435.322 4.506 30 10 IJEE CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccc(C)s2)cc1 726569961 QHGUMCDKYXANIP-UHFFFAOYSA-O 438.598 4.803 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1F 733201511 LCNBPVCGWQVUNV-GOSISDBHSA-N 447.894 4.602 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 735969552 UWFOLLJKJHCAML-GOSISDBHSA-N 449.910 4.986 30 10 IJEE C[C@H](OC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 766772085 RWWZTDNEHJDIDZ-LBPRGKRZSA-N 436.455 4.630 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 802602479 KMGMAGKNASPHFU-UHFFFAOYSA-N 446.595 4.558 30 10 IJEE COc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1083982722 PYCPEVSLPDFBEH-QFIPXVFZSA-N 445.544 4.856 30 10 IJEE N#CC[C@H](C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 1124485405 AOJWXICPWOCQNG-NRFANRHFSA-N 433.552 4.896 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)c2cc(C#N)cs2)C1 1125973378 CARXKGSQGDIXLU-IBGZPJMESA-N 425.554 4.662 30 10 IJEE C=CCC[C@@H](NC(=O)CCCN(C)C(=O)c1ccncc1)c1ccc(C(F)(F)F)cc1 1127418844 LYAYLNVCIIGXLT-HXUWFJFHSA-N 433.474 4.776 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)ccc1Cl 1129530571 VXKYZLSFRJXQEG-GGAORHGYSA-N 447.000 4.886 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC)c1ccccc1 1130115901 ASVBIHGGJUTGPW-SFHVURJKSA-N 445.375 4.855 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(O)c(C(F)(F)F)c1 1143300279 IUHFHQNROUVAOV-UHFFFAOYSA-N 433.199 4.536 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1ccc(OC)cc1 1167115889 KUBHUADUVCMNCT-AREMUKBSSA-N 432.589 4.919 30 10 IJEE C#C[C@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1180235736 VLDISGXDXSOWOJ-QFIPXVFZSA-N 438.593 4.721 30 10 IJEE C=CCn1c(Sc2cc(Br)cc(C)n2)nnc1[C@@H]1COc2ccccc2O1 1184688696 MKIFRKWCAXCAKA-INIZCTEOSA-N 445.342 4.594 30 10 IJEE C=CCn1c(SCC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)nnc1-c1ccc(C)cc1 1189025122 LXQXTXVHCQWDON-UHFFFAOYSA-N 446.532 4.682 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1 1192139555 GHJLVVOUGCCCCJ-DEOSSOPVSA-N 432.564 4.843 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1ccc(Br)cc1 1215500981 KTRCJCCVABPHNH-QWXGXRTQSA-N 445.260 4.573 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 1221624898 GXUBGRLBIGKFAK-QHCPKHFHSA-N 427.976 4.501 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)CC1 1221936171 YUUIRXWIPWBGHU-DEOSSOPVSA-N 440.609 4.842 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1(c2ccc(Br)cc2)CCCCC1 1222276579 CZHFLIMQVCVCEU-FXAWDEMLSA-N 435.406 4.931 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)sc1Br 1264281226 YLKRYKWNRNUDHY-UHFFFAOYSA-N 425.300 4.562 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 1269744545 IDJUNQFICAKHHJ-UHFFFAOYSA-N 430.460 4.992 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 1275699109 MWPWBSBUTPTNDA-HXUWFJFHSA-N 444.560 4.923 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCc1nc(C)c(C)s1 1286307068 ZNQCNCSMLIMSPB-INIZCTEOSA-N 425.627 4.653 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1286344260 QGPKFDJIJOFRRK-INIZCTEOSA-N 436.357 4.640 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H]2CCC[C@H]21 1286508684 PGGSBBPHFKEZSJ-UYAOXDASSA-N 445.032 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccon1 1286551178 KUXMTYDXKHCDBJ-KNQAVFIVSA-N 435.572 4.848 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(F)cc(F)c2C1 1286556191 BJEOIJBVIOIOSX-VGSWGCGISA-N 430.543 4.689 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)C)CC1 1286564796 YVQKKTWRVSIAPH-DENIHFKCSA-N 444.023 4.500 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCN(C(C)(C)C)CC1 1286595794 IWZQKVFHBDDERN-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(F)(F)F 1286708229 QYIALYFAAIUQBH-UHFFFAOYSA-N 447.299 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1C[C@](C)(O)c1cc(C)oc1C 1286750029 LWNXGSZQLPPVCV-QHCPKHFHSA-N 426.586 4.602 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1286759648 DXGRQCKHDSONSY-PKTZIBPZSA-N 446.643 4.639 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC2CCC(F)(F)CC2)c1 1289319683 BUWUMSKZAGYCCC-GOSISDBHSA-N 431.531 4.895 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCOC1CCCC1 1300277045 VQWGTHGGZRZVGX-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](Cc1ccccc1)OC 1300284287 QXDHVZHNYJWYMT-SIKLNZKXSA-N 448.636 4.991 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1300362573 RIWMLWVPSYEIDO-SFTDATJTSA-N 428.964 4.555 30 10 IJEE C#CCCCCn1c(N(C)Cc2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300377701 XVISZCVAQBCVHF-HDICACEKSA-N 443.617 4.550 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)CCC 1300742625 POPOUEUWNYLCAB-MRXNPFEDSA-N 435.435 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1300871126 XJZYJYSSQWSACD-HNAWSFBYSA-N 445.405 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(F)cc1C(F)(F)F 1300919006 PHQUHJIFVRGXMU-UHFFFAOYSA-N 433.453 4.873 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@H](C)[C@H]1C 1300973536 ZIWGRFUMDRIETG-RTBURBONSA-N 437.613 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1301142228 YHBHPWWAQFILRZ-UHFFFAOYSA-N 445.615 4.787 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1NC(=O)CC1(C)C 1301168627 SPHZMGSDLUMXND-LJQANCHMSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1301176562 DJCTZAZGRYXBAI-OAQYLSRUSA-N 448.615 4.552 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2CC[C@@H](C)N2CCCCC2)cc1 1304431298 FNUWMXASLHZWTQ-NHCUHLMSSA-N 440.661 4.739 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)C[C@H]1C 1305205300 HMEGPNPYILIZMA-ZHALLVOQSA-N 429.515 4.646 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(C)C)C1)OC 1305358055 FRBWBLRTXQZRRI-RRPUWOKSSA-N 439.604 4.662 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)c1ccc(F)c(F)c1 1309417581 CYPVATWDBMEZAR-MRXNPFEDSA-N 436.705 4.976 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1313003110 XDWJXWVUXVYTEJ-BDXSIMOUSA-N 447.542 4.856 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C#N)oc1C)c1ccc2c(c1)OCCO2 1348529958 HHOFIJXAHTUEKM-UHFFFAOYSA-N 430.460 4.643 30 10 IJEE C=CCC[C@H](C(=O)NCCc1ccc(I)s1)c1ccccc1 1352300285 MUBKNNXUXNYDGV-INIZCTEOSA-N 425.335 4.761 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)c1 1352611988 ADHIPNFFLWUVHK-JOCHJYFZSA-N 440.568 4.976 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(C)C)C1 1358906424 HUPUWUDXIQECTQ-FQEVSTJZSA-N 426.630 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1359112864 UQOSIMCBKLJXPZ-XMMPIXPASA-N 437.632 4.720 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359180555 JMBCQOORAREPKE-SFHVURJKSA-N 431.625 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1c(C)nn(C)c1C 1359185133 MGXSBFDPJKVKLW-UHFFFAOYSA-N 427.984 4.583 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1359201699 XAPTZQSWJSCKPS-OALUTQOASA-N 442.608 4.759 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1oc(CCC)nc1C 1359233757 QBMRGBMTQHLKLX-UHFFFAOYSA-N 448.340 4.766 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1cnc(C)s1)C1CC1 1359247678 LOVUXKVNXREDOE-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN(C)C1CCCCC1 1359258597 WDZMGQAQXIYETF-QHCPKHFHSA-N 437.632 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1359277118 CEPKTMPDIZCTTJ-SFTDATJTSA-N 427.637 4.815 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C(C)C)C1 1359284537 WBSDPMMLPNWKIE-INIZCTEOSA-N 425.371 4.611 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCSC2(C)C)C1 1359316404 OBMMRWZTYNMSSK-LEWJYISDSA-N 426.630 4.821 30 10 IJEE C#CCOc1cccc(OC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)c1 1360102021 HVEKBAKQZWGXSG-UHFFFAOYSA-N 429.303 4.956 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCCc2cccc(Br)c2)cc1OC 1360366518 VPTZKBZHKKJAED-BENRWUELSA-N 430.342 4.785 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2O)cc1 1442268310 WCXVRIWIQMYJCY-UHFFFAOYSA-N 430.460 4.531 30 10 IJEE C#CCCCNC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1449022488 ZJCXNEWAMVYLND-FQEVSTJZSA-N 430.548 4.567 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c1 1456314740 NFESTYVUKYHJBG-URXFXBBRSA-N 430.529 4.801 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2COc3cc(F)ccc3C2)cc1OCC 1461643928 TWWAMYRNAFFHJA-QGZVFWFLSA-N 436.321 4.645 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@]23CCC[C@@H]2C3)nnc1-c1ccc(Cl)cc1Cl 1462947482 YOKVLTBLNMXCOW-XCLFUZPHSA-N 437.396 4.836 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1csc(Br)n1 1464719808 IZHGWJKZYWJYAC-UHFFFAOYSA-N 434.128 4.636 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccccc2Cl)C(C)C)cc1 1465257353 IZMXTGMCNZOUNC-FQEVSTJZSA-N 435.977 4.665 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2cc(OC)ccc2C1 1469529203 WCWLQCSIGKYXNU-LJQANCHMSA-N 447.348 4.852 30 10 IJEE C=CCCC1(CNC(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCCC1 1470793965 NPBRRIMKARMAFB-SFHVURJKSA-N 429.388 4.901 30 10 IJEE C=C(CSc1nnc(-c2cccc(OC)c2)n1-c1ccc(OCC)cc1)C(=O)OCC 1472923675 GOJDXBIWOCYFBU-UHFFFAOYSA-N 439.537 4.553 30 10 IJEE CC[C@H](O)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)Cc1ccccc1 1473288626 DCWYROSRGDVARR-QHCPKHFHSA-N 436.600 4.693 30 10 IJEE O=S(=O)(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H]1c1cccc(F)c1 1474822334 FMMVJUARHFBNTM-WKZARQIDSA-N 433.389 4.511 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 1476728737 KOIJPGMDZKFOHE-MRXNPFEDSA-N 432.362 4.656 30 10 IJEE C=CCCC1(CNC(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)CCCC1 1478965673 CAHXLPUURPWYID-QGZVFWFLSA-N 441.385 4.565 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1507562158 WJBYHGVLTGSJPH-HXUWFJFHSA-N 443.636 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507665244 TWAAWYBVINSXAX-RBUKOAKNSA-N 430.474 4.710 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@@H](C)C1 1507764614 NVVIIYYHGKIVKL-PCGJDWNTSA-N 449.643 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)c(C)c1 1507818197 KZUMZDGFZQLOMY-UHFFFAOYSA-N 446.368 4.944 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CSc2ccccc21 1507929261 ORVFQAGCUOABRD-LJQANCHMSA-N 439.629 4.586 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(Br)s1 1507952871 YLVFPTSJTANZPL-UHFFFAOYSA-N 449.422 4.566 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccnc(SC)c1 1507976061 YTLYZDVGAPNEQX-UHFFFAOYSA-N 439.585 4.528 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1sccc1C 1507998263 OATASHUCNNXLDZ-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1508046796 IFTBFGPTQYXZOA-FQEVSTJZSA-N 439.604 4.922 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@H]2CCCC[C@@H]2C)c1 1510723180 IEIFQTVVQWBMCR-URVUXULASA-N 439.604 4.665 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)C1 1514054364 FBAYETGTMWMDIO-GHTZIAJQSA-N 434.613 4.808 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)c1 1517118103 XZOHLZKUUUOKPA-RUZDIDTESA-N 428.557 4.873 30 10 IJEE C=CCCC[C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1519989842 RHCQSQIUDKUGHW-WMLDXEAASA-N 425.367 4.876 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccnn1CCc1ccccc1 1520236634 NCJASARXSXTMEO-UHFFFAOYSA-N 442.332 4.856 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1 1521898641 ZCEBOLLGQXIJLZ-FQEVSTJZSA-N 434.319 4.906 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1cnccc1C)c1ccc2c(c1)OCCO2 1522212595 SILPJNRJLMCGOP-UHFFFAOYSA-N 430.504 4.502 30 10 IJEE CCc1nc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)nn1-c1ccccc1F 1523663001 AOHKYHKCPCVZKH-UHFFFAOYSA-N 427.439 4.885 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)c2cccc(C)c2)CC[C@@H](C)C3)nn1 1524772651 XVOIJXXOZUBPCP-MRXNPFEDSA-N 434.565 4.832 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)c1ccc(Br)cc1 1525053607 DHWUXZNXXYSNCR-GOSISDBHSA-N 428.717 4.701 30 10 IJEE CCc1nc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)nn1-c1ccccc1Cl 1527393403 AKMPSIPHZPKGCN-UHFFFAOYSA-N 444.882 4.794 30 10 IJEE C#C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(C)(C)C 1528108349 JYEQNXZOSTTZNB-FQEVSTJZSA-N 425.985 4.994 30 10 IJEE Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1530919961 GPLAWIGBKKJALI-LJQANCHMSA-N 442.494 4.723 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(OC)c2OC)nnc1-c1ccc(Cl)cc1 1534784431 GGUFRORAEPGTNC-UHFFFAOYSA-N 444.944 4.533 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H](CC)c2ccc(C)c(F)c2)nnc1-c1ccco1 1535373587 XPCKARUPPAJWOG-SFHVURJKSA-N 428.533 4.921 30 10 IJEE Cc1c(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)sc2ccc(C#N)cc12 1538426320 DGZXRGOZUXSIQL-FUHWJXTLSA-N 427.570 4.895 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCCC1(C)C 1538985114 WJOVIBUOXWGDHN-OSPHWJPCSA-N 426.630 4.675 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539513666 LYZSPAYMGAEALG-QFIPXVFZSA-N 433.625 4.633 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1539693345 HAAJEEOSXSQKOV-VXKWHMMOSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1539892047 QDPWFWPZVSQAJK-NZQKXSOJSA-N 426.992 4.906 30 10 IJEE C=CCCOCCn1c(N2CCC[C@@H]2c2ccc(OC)cc2OC)nnc1C(C)(C)C 1540041931 HABVOZQDBYUYLG-HXUWFJFHSA-N 428.577 4.527 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN(CC)C(=O)OC(C)(C)C 1540050037 WCTQZQBDIINTAZ-UHFFFAOYSA-N 439.604 4.627 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cccs1 1540171053 VBNHEDPADAIWEH-UHFFFAOYSA-N 443.617 4.681 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cc(C)oc1C 1540180879 XZRRHSQCPWIJGB-SANMLTNESA-N 445.567 4.626 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)cc(OC)c1 1540187013 KYCDRYQCCJHJBM-QFIPXVFZSA-N 440.519 4.544 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCC[C@@H](C)C1 1541107264 ICTGFOFYHZFKSZ-RTBURBONSA-N 440.661 4.603 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)c1nc(C)cs1 1545740713 CESFIWVURAUWSR-XKDCRVNJSA-N 438.576 4.831 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC#N)CC1CC1)C1CC1 1552749829 IDSOYGFIJAUYRZ-HXUWFJFHSA-N 447.414 4.722 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1ccc(Cl)cc1F 1556559503 JACRXERDPHKNNX-HXUWFJFHSA-N 446.869 4.712 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 1557180472 AYMDYMOWAADHFO-UHFFFAOYSA-N 428.370 4.849 30 10 IJEE C#CCN(CC1CC1)[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 1559659062 ZACHBHZMZFRKFK-QFIPXVFZSA-N 446.532 4.743 30 10 IJEE C#CCN(C(=O)NCc1cccc(OCc2ccccn2)c1)[C@H]1CCCc2ccccc21 1563565428 RXHUTVWSSOFHLC-SANMLTNESA-N 425.532 4.883 30 10 IJEE C#CC[C@H](NC(=O)NCc1cc(Cl)ccc1I)c1ccccc1 1564385296 MYZWYYBRCFJOBK-KRWDZBQOSA-N 438.696 4.508 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 1583093256 XEDBMGSXVRZXHA-VQIMIIECSA-N 438.996 4.904 30 10 IJEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3sc4c(c3C#N)[C@H](C)[C@@H](C)CC4)c2C)n1 1584024183 BPBVAQPHFLVOCA-SWLSCSKDSA-N 448.596 4.696 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 1584415046 IBZJNLDPCHUORA-QGZVFWFLSA-N 443.532 4.711 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2=CCCC2)c1 1586700034 HOADXSAIZWXOGH-UHFFFAOYSA-N 430.957 4.561 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1587383121 ORNMEEMXZGOKJD-OAHLLOKOSA-N 434.323 4.796 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCCC1(C)C 1587620850 LSDNLKGHZJQHPT-RBUKOAKNSA-N 446.599 4.520 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(N(C)C)CCCC1 1588198502 VTPHUPDLPJNKOK-UHFFFAOYSA-N 444.410 4.589 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCC[C@H](O)C1 1588288692 IIGRHUMZTATFJS-XLIONFOSSA-N 438.572 4.823 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1593741770 XCGUJXPNIQVNRB-HSZRJFAPSA-N 438.616 4.979 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1593757412 CYSDMQAHNBEGGS-INIZCTEOSA-N 432.540 4.999 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1594634384 KKZJVTIDNTWBCJ-NRFANRHFSA-N 447.558 4.859 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cccnc2SCc2cccc(Br)c2)CC1 1596593596 XQJXZRHIPUVJRU-UHFFFAOYSA-N 447.398 4.680 30 10 IJEE C=C[C@H](CC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1)c1ccccc1 1597390246 YSQPKOITFDETIM-OAHLLOKOSA-N 433.321 4.723 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC 1597580870 YUYXDRKEEXTUDH-LJQANCHMSA-N 429.561 4.564 30 10 IJEE N#Cc1cccnc1OC1CCC(Nc2ncnc3cc(F)c(Br)cc23)CC1 1612278293 AWPMBTPPEMYJJT-UHFFFAOYSA-N 442.292 4.600 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ncc(C)s1)c1ccc2c(c1)OCCO2 1616620447 UCFVDZQNWJNIAH-UHFFFAOYSA-N 436.533 4.563 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)s1 1617553537 WOJRNWMEIIHYIP-JOCHJYFZSA-N 448.654 4.566 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1ccccc1 1618589954 RTFFLQWGVDRKDM-SSEXGKCCSA-N 436.562 4.859 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(c3ccc(Cl)cc3Cl)CC2)cc1 1620213965 DFCWDPJNGDIHNQ-GOSISDBHSA-N 445.394 4.759 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)Cc1c(F)ccc(I)c1F 1621133073 MVMPBMWEGQFWNZ-UHFFFAOYSA-N 429.248 4.766 30 10 IJEE C=CC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 1622724422 LZFUZUSSUJRHHL-QGZVFWFLSA-N 431.558 4.596 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(F)c(I)c(F)c1 1623016279 TXKHBMHLWCYAFC-ZDUSSCGKSA-N 442.247 4.878 30 10 IJEE CCOC(=O)C[C@@](C)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(C)C 1623159537 BEYOQKBCMJFKAU-HSZRJFAPSA-N 427.476 4.979 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1OC 1623602991 ROZBZDPHRQEAMN-SDNYCIMKSA-N 440.971 4.880 30 10 IJEE N#Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1Br 1624633774 GSPLPTZIXGBGEI-HNNXBMFYSA-N 446.267 4.534 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)n[nH]2)c1C 1627662778 OGSRXZDLJKHNSV-UHFFFAOYSA-N 434.544 4.621 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1628462328 YDZDZHATZWCJIU-FYINFDKHSA-N 435.524 4.837 30 10 IJEE C=CCC[C@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 1633470957 KRWFWPIHEBBKEA-PXNSSMCTSA-N 427.511 4.513 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1633575518 WCZAGRKXIONZCV-IFMALSPDSA-N 447.938 4.563 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 1635730565 IVSDXCBSZPTJLA-KRWDZBQOSA-N 438.355 4.673 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1636558190 WSGJTGUIVCBYIU-MOPGFXCFSA-N 433.980 4.739 30 10 IJEE C#C[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1 1638463871 WJLYRYOMIMPXCS-DEOSSOPVSA-N 444.918 4.669 30 10 IJEE C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1645825139 GCUKPAHCQCOVGF-DJJJIMSYSA-N 437.849 4.631 30 10 IJEE C=CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652348992 IRQOPCMYIZOEGW-ARFHVFGLSA-N 445.654 4.650 30 10 IJEE C=CCN(CCC(=O)N1CCc2ccccc2C1)Cc1cc(Br)ccc1F 1653289339 GDWHCCMBKYRIRI-UHFFFAOYSA-N 431.349 4.551 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1657965891 QOFPKJJMQHMLKV-UHFFFAOYSA-N 443.550 4.742 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccc(C(F)(F)F)cc1 1661029242 WKCOAYMWYIESHU-LJQANCHMSA-N 426.435 4.843 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(F)c(F)c1 1662886791 MITRKNBLGZNERM-FQEVSTJZSA-N 437.899 4.708 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1663405686 DVKWUKKRMQVQLW-UHFFFAOYSA-N 447.438 4.551 30 10 IJEE CC(=O)N(c1cccc(Cl)c1)c1nc(CN(C)C[C@H](O)c2cccc(C#N)c2)cs1 1665186249 ZPOPWMNQCPDPTR-NRFANRHFSA-N 440.956 4.518 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 1668388982 DFGYAHKBVAJJSP-UHFFFAOYSA-N 438.528 4.692 30 10 IJEE COc1ccc(C2(NC(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CCCC2)cc1 1669626042 FUOHCWRYXVICNJ-UHFFFAOYSA-N 435.915 4.997 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCC3(c4ccc(Cl)cc4)CCCCC3)CC2)cc1 1677998607 GOUCAVJSEFAMFQ-UHFFFAOYSA-N 436.987 4.945 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1)c1ccc(F)cc1 1680225275 PZAYWMRFGQCYIO-LEWJYISDSA-N 429.333 4.973 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1 1681063361 SRRMNRJYCVREBY-LJQANCHMSA-N 431.540 4.989 30 10 IJEE C#C[C@@H](NC(=O)N(CCc1ccccc1)Cc1ccncc1)c1ccc(Br)cc1 1683680224 AGGWILRVVVWDTO-HSZRJFAPSA-N 448.364 4.973 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(C)cc2C)C1 1685180885 SASJOIDGNLXSBS-QFIPXVFZSA-N 439.987 4.988 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccc(F)cc1 1686917902 YVRKQYUDWFCVBA-RTBURBONSA-N 448.279 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C1CCCCC1)N(C)C 1689831507 LYHAISNLAXANKS-ZJSXRUAMSA-N 433.644 4.717 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CC(F)(F)F 1690161501 HPWVUVBKSHKBIA-UHFFFAOYSA-N 428.549 4.640 30 10 IJEE C=C(Br)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCC 1690223024 BYDFLNNMOKGBCU-UHFFFAOYSA-N 446.162 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(OC)nc1 1690256437 LYHRRXMKBBOTHJ-KRWDZBQOSA-N 441.963 4.926 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)c(F)c1 1690297935 NDNZLWVMMSUKNO-IBGZPJMESA-N 447.530 4.841 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCCSC)CC1 1690404838 URFRJMJWPMFPLW-UHFFFAOYSA-N 427.437 4.925 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1690453894 MHWXTPXDZQAVAH-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1705510033 RLTILJQUWOETGR-JOCHJYFZSA-N 429.524 4.701 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cscc1C(F)(F)F 1705556535 RORKQKUZWXRDRD-UHFFFAOYSA-N 434.487 4.672 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CC)(CC)C1 1705653756 PFQWUQYQLRFPRW-SFHVURJKSA-N 430.593 4.940 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1705689188 FEGVAXUEVMAUSV-CVEARBPZSA-N 441.464 4.949 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2[C@@H]2C[C@H]2C(C)C)CC1 1705777306 DQILXLMQPKZHPN-RBUKOAKNSA-N 426.561 4.590 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705790939 JYQPNVBUSFOWLN-IBGZPJMESA-N 433.000 4.813 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1705796656 IHKAGYGKVAHZKH-LJQANCHMSA-N 445.958 4.780 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC1CC1)C1CCCCC1 1705814572 TXONOXSTKBVXQL-UHFFFAOYSA-N 442.629 4.864 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705827527 IEIZVWMQKDZKJJ-TYPHKJRUSA-N 440.588 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@@H]1CCO[C@H](C)C1 1705873561 NSUOHPKNYYCBAE-WOJBJXKFSA-N 433.556 4.984 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(O)(CC)CC)C1 1705920003 OHVGZTYLPYKDOT-IBGZPJMESA-N 444.645 4.608 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1708484782 AWWHNWVGHUTSFD-WAIKUNEKSA-N 447.530 4.774 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)OC1CCCC1 1722456035 YDOSHGMRZJNVIX-UHFFFAOYSA-N 430.643 4.952 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1722465643 QNHNQYCHZFTFHX-VXKWHMMOSA-N 438.641 4.945 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1722500246 BQCQXZXEJCBQAY-VGSWGCGISA-N 442.560 4.675 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1 1722505432 BODUSFDGCXUKSE-FBBABVLZSA-N 429.634 4.954 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](CCC)C1 1722544038 DEVNZSAZDPHPBC-MRXNPFEDSA-N 439.785 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722590827 BAASBNDZMNCVTG-LAUBAEHRSA-N 434.415 4.886 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722603132 ORRFKKOBCFULPV-UHFFFAOYSA-N 432.572 4.756 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722605792 SJGKNUHGHJRLPO-IBGZPJMESA-N 445.633 4.732 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSC(CC)(CC)C1 1722612745 URHYEXHBQWHNQE-UHFFFAOYSA-N 428.602 4.795 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(Cl)c1C 1722665340 KEATXWYLFQEDAM-HSZRJFAPSA-N 430.980 4.507 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C)nc2)C1 1722718898 VSTRGSLAFYCIKI-HSZRJFAPSA-N 431.584 4.776 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccsc1)N(C)C 1727113843 DIDFOVUXLKQVKC-PKTZIBPZSA-N 448.640 4.924 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1CCCCO1 1740537278 CDMWNHBURHFIIN-LPHOPBHVSA-N 431.378 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(-c2ccccc2)n1 1740542360 UEHFRGJOPGQMOG-INIZCTEOSA-N 448.983 4.818 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc(C2CC2)cs1 1740661775 JLRNCMLXBOWOTJ-SFHVURJKSA-N 435.597 4.877 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1740753477 KONUUHYFDDTXND-ILZDJORESA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(CC)Cc2ccc(OC)cc2OC)nnc1C(C)(C)C 1740767538 PLKWYVDPLYWCLC-UGKGYDQZSA-N 442.604 4.601 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](OCC(C)C)C1 1740846887 PDQIWVFNLGSQQT-HXUWFJFHSA-N 440.588 4.570 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740881782 QFBFTPXZUGDINM-KRWDZBQOSA-N 426.508 4.613 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(N(C)C)CCCC1 1740901777 KGTMANVZIPARRF-UHFFFAOYSA-N 435.572 4.614 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CC(C)(C)C1 1740917072 GDUMMIVAWGPROQ-SANMLTNESA-N 438.616 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCOc1ncccc1F 1740920698 FVJMTMXZRQHONG-UHFFFAOYSA-N 441.526 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cc(C)no1 1740927757 NKHLUVIRKWIPDL-UHFFFAOYSA-N 428.334 4.539 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740928251 ZTLSUNVWJFHWSX-MRXNPFEDSA-N 431.968 4.690 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1748699698 QXTYDUGPKSAUIE-FXAWDEMLSA-N 430.980 4.736 30 10 IJEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1CCc1nc(C(C)(C)C)cs1 1748851915 QSPNMPUOMXNWJP-UHFFFAOYSA-N 445.636 4.523 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCN(CC(C)C)C1 1748913384 UFJZGSNBERTSND-JOCHJYFZSA-N 444.627 4.629 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC=C(Br)C1 1749124777 PEEIJWKQMCTHBO-FXAWDEMLSA-N 443.389 4.724 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)CN(C)C)CC1 1749292350 QFXDFFNMBDCJEP-SFHVURJKSA-N 432.012 4.816 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(OC)CCC2)CC1 1749329619 QGPLGYSBEVIQAF-SFHVURJKSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCN2CCCCC2)CC1 1749331642 RMXVXHZJNATCKE-UHFFFAOYSA-N 432.616 4.875 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1749396858 IZHFLZXRHPICQL-UHFFFAOYSA-N 449.574 4.718 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C1CC1)N(C)C 1749564407 WAFOGTLXDJFXAQ-HXUWFJFHSA-N 425.646 4.794 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C1CCN(CCC)CC1 1749621514 DMOQZSYQABORHM-UHFFFAOYSA-N 435.572 4.614 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCOC1CCCCCC1 1760102981 WHNMLFKLGKBKCB-KRWDZBQOSA-N 432.515 4.744 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(=O)N(C)C1CCCCC1 1760106730 NJGNKBWHRPQIHJ-OAHLLOKOSA-N 448.398 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1760291308 JVRHGEODCAQHTL-WNCULLNHSA-N 433.644 4.868 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)(CC)C1 1760326615 XMQZJVXLBSZDLR-OEOAZWSVSA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1OC(F)(F)F 1760338063 CJGGCQLHVDZTQQ-UHFFFAOYSA-N 431.462 4.613 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2ccoc2)CC1 1760384954 IDHBALYQBAEHAC-UHFFFAOYSA-N 429.318 4.514 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](CC)N2CCCC2)CC1 1760398593 DTURPYSPMBODRL-FQEVSTJZSA-N 444.023 4.884 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)c2c(C)noc2C)CC1 1760405142 SWGWDOMRAWWXBV-SFHVURJKSA-N 449.599 4.883 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760422271 CZAVKPFDPKLZNT-GOSISDBHSA-N 435.538 4.937 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc(C(F)(F)F)cs1 1760464028 WTXXPJSDBJCLLQ-UHFFFAOYSA-N 441.910 4.863 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1C[C@H](C)O[C@@H](C)C1 1760477604 FKQBKGJKYJDTJD-OALUTQOASA-N 426.605 4.980 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CC)Cc1ccc(OC)cc1 1760508033 BTRHVKOEELUZOW-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C[C@@H](C1CCCCC1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1 1761427386 HZFQOXWKZDVZMR-RTWAWAEBSA-N 434.632 4.954 30 10 IJEE CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 1772762086 HKZMBIWXGYJLDJ-LEQOCETOSA-N 428.897 4.837 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(N(CC)CC)cc1 1862422066 VZODJPYXLMDJQE-NRFANRHFSA-N 428.479 4.799 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1 1862474717 SJZDMCSXBFEAQD-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2cccs2)cc1O 1862492341 PBHXZHWKGYSNHY-QFIPXVFZSA-N 449.528 4.858 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(OCC)c1 1862506460 OADNWYPUWQFPPX-JOCHJYFZSA-N 441.499 4.538 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc2c(c1)CCCN2C 1862510118 WVIUNOXKHIYLMS-QMHKHESXSA-N 436.527 4.893 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC)c1 1862528177 PRFYGFGJYCWWLW-LJQANCHMSA-N 444.325 4.836 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862539941 CFAMFLYACVVAAW-LJQANCHMSA-N 429.900 4.605 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Br)c1 1862599519 HVZZQIYERBNQID-LJQANCHMSA-N 444.325 4.779 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621774 YHBYGOFQBKGWKS-DEOSSOPVSA-N 441.483 4.626 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680781 KLHRLIKMBLRUBH-SFHVURJKSA-N 432.835 4.622 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863366235 GTPYLAFZXOBCTG-UHFFFAOYSA-N 435.483 4.515 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCCO)=C(c2ccc(OC(C)C)cc2)C1=O 1863696614 OKHWSFYRFGYMTL-UHFFFAOYSA-N 444.616 4.666 30 10 IJEE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)c1ccccc1CC#N 1866214823 LHXDLCHEIOFRRL-UHFFFAOYSA-N 435.461 4.818 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(Cl)cc2)cc1 1867369256 IIYFCANTMGXPQW-PKTZIBPZSA-N 449.913 4.510 30 10 IJEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1CSc1nnnn1C 1870182159 CJNHWJQYLIZFBF-UHFFFAOYSA-N 435.638 4.984 30 10 IJEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(NC(=O)C(C)C)cc2)[nH]1 1871295045 CCRNOHVYRFQLNE-UHFFFAOYSA-N 437.592 4.896 30 10 IJEE Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871369501 OJKKDPTTZVSOBY-NDENLUEZSA-N 446.371 4.647 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872521262 GSYMIQZBOKJJKC-OPAMFIHVSA-N 432.561 4.673 30 10 IJEE N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(Br)c2)cs1 1872763054 CUMLMYSSYLFPEV-HNNXBMFYSA-N 428.267 4.971 30 10 IJEE C=CCNC(=O)c1c(NC(=O)CCCOc2ccc(CC)cc2)sc2c1CCCC2 1873443017 WMSHSWQLVDHPCQ-UHFFFAOYSA-N 426.582 4.903 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)c1 1874308475 ZFXGWAMPEKXBGE-JVWAILMASA-N 447.539 4.781 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccc[nH]2)c(C)c1 1874425045 OQUCGMRIIJCAPC-FSJBWODESA-N 436.566 4.565 30 10 IJEE CCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(C(C)C)cc1 1874507942 CZXTYTQZAFDJSK-BUVRLJJBSA-N 427.618 4.777 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2/N=C/c2ccccc2OC(C)C)c1 1874530712 XCBWAHDIEDNIRF-ZMOGYAJESA-N 437.569 4.604 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2cccc(Cl)c2)cc(Br)cc1OC 1874577517 RRXWVEDTWVZAPS-VOTSOKGWSA-N 439.689 4.559 30 10 IJEE COC(=O)COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc1Br 1874639266 QSJFVCSJUPYLLX-ZZXKWVIFSA-N 439.689 4.559 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 1874694641 NRFFXJOXWFBHDF-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC(=O)CCOc1ccccc1 1874707693 REXUCRVLFPLUAN-JXMROGBWSA-N 446.455 4.695 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2)c1 1875117954 KVUDQBWZAZTQDL-GXDHUFHOSA-N 432.472 4.757 30 10 IJEE N#Cc1ncccc1OCC1CN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 1891398202 JRSKIXJAALDYLD-UHFFFAOYSA-N 437.421 4.790 30 10 IJEE N#Cc1ccc(C2(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)CC2)o1 1952522896 LWDCTSZAROISQD-JOCHJYFZSA-N 442.471 4.565 30 10 IJEE C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(OC)cc1)CCC2 2041501419 VWBJUOITFPOUQK-UHFFFAOYSA-N 442.515 4.579 30 10 IJEE C#CCC1(C(=O)Nc2cc(Br)c(Br)c(Br)c2)CC1 2050266771 MPQCZKMRGCPZNS-UHFFFAOYSA-N 435.941 4.716 30 10 IJEE Cc1ccc([C@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)cc1F 2079072819 YUORPRUVRMQDQL-FULVDIRDSA-N 429.277 4.687 30 10 IJEE COc1ccc([C@@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2080031121 XPTCLIQUVWFYIQ-QGZVFWFLSA-N 435.309 4.881 30 10 IJEE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C#N)c1I 2080032830 HJLYONYCMDVREI-LBPRGKRZSA-N 449.214 4.700 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(-c2cc(C(F)(F)F)ccc2F)c1Br 2080192437 YEMQLCJBZPJLMP-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE C[C@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)C1 2105992200 RLSNVFXGRQTUQF-JSGCOSHPSA-N 426.330 4.907 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 2137188062 NDWLXHKZSDIWET-UHFFFAOYSA-N 442.365 4.827 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(c2ccc(C#N)c(Br)c2F)C1 2139854245 WWHCBHHKPVNICB-ZDUSSCGKSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Nc2cc(Br)cnc2C#N)C1 2167615782 YFVFOHNQJAREFG-FXAWDEMLSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)NCCC[C@@H]1CCCCN1Cc1ccc(Br)cc1C#N 2174560375 SPZUIXFLJODFHN-IBGZPJMESA-N 436.394 4.980 30 10 IJEE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1c1ccc(C#N)c(Br)c1F 2174814765 LFUQGFZOTJTDSH-RBSFLKMASA-N 438.341 4.542 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C 2235747243 OKNNHSZRBFJOKK-XKGZKEIXSA-N 435.406 4.672 30 10 IJEE Cc1cc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)ccc1NC(=O)OC(C)(C)C 2255367999 PSARDXIGPXFODZ-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)ccc1F 2255854185 ZFCDYQBXGNIONF-HDJSIYSDSA-N 434.317 4.984 30 10 IJEE COC[C@]1(CNc2c(Br)cccc2C#N)CCCCN1C(=O)OC(C)(C)C 2285241693 LZEXMLODQAXRDO-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc([C@H](N)C#Cc3ccc(Br)cc3)cc21 2296288965 MQFYUYXYIOBEOY-LJQANCHMSA-N 427.342 4.798 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2296297606 AQRPCLMWYLTDLR-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCS[C@H](C)C[C@@H]1CC(=O)C(=CNc2ccc(Cl)c(Cl)c2)C(=O)[C@@H]1C(=O)OC 2297624166 UXXDMMKKPZYWAB-SEDUGSJDSA-N 444.380 4.768 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 2297748271 OHZJRFPOAVXLMJ-XDHUDOTRSA-N 449.547 4.592 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 2306359077 RYIASEBKXWHRTM-RUZDIDTESA-N 428.573 4.842 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2306617146 JILPDEAAQTWHPB-LOSJGSFVSA-N 428.573 4.699 30 10 IJEE COC(=O)c1ccc(-n2c(C)cc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)c2C)cc1 2313557364 BDUGSFORYDAJIF-UHFFFAOYSA-N 449.507 4.911 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1O 2321347605 SYQLNTARPJNQLG-UHFFFAOYSA-N 437.352 4.906 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1OC 2322209628 VCRYLAKTJBAZLV-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1OC 2323375229 GSVIYMFSGVVQJF-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OCC)cc2)cc1Br 2323831743 ZKAVPRCSDHSHED-UHFFFAOYSA-N 446.341 4.649 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)C[C@@H]2CNC(=O)OC(C)(C)C 2326078688 IPUNMMGKPKTADU-ZUOMXFFYSA-N 442.600 4.993 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2N=Cc2cccnc2)c1 2327463966 RPLKGXYCRNJFMV-UHFFFAOYSA-N 437.475 4.705 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(COc3ccccc3Cl)nnc2SCCO)cc1 2327696117 SXMANLCLACLDGD-UHFFFAOYSA-N 444.988 4.775 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2ccncc2)cc1 2328386471 UDPCZYLAQZRQIP-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE OCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2329143369 YAUVWMUCTINAJZ-UHFFFAOYSA-N 440.878 4.508 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1sccc1C 2330050519 ISEIVYACZCOTPO-QGZVFWFLSA-N 441.626 4.643 30 10 IJEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2cccc(F)c2)cc1O 2330359014 FNWYMSCHAGAAGZ-UHFFFAOYSA-N 440.525 4.655 30 10 IJEE Oc1nc(CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)nc2ccccc12 2330684725 PZKSMPDBFABWQQ-UHFFFAOYSA-N 438.516 4.768 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccc(F)cc1)Nc1ccc(F)cc1 2331032942 GLITVRBFZGIMAW-UHFFFAOYSA-N 441.507 4.827 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccccc1O 2331326289 SUKJQENBNUZXMW-UHFFFAOYSA-N 437.569 4.502 30 10 IJEE C=CC[C@@H]1CCC[C@H]1NC(=O)c1cc(I)ccc1Br 2337093700 HTODPPGWCVHGEF-QMTHXVAHSA-N 434.115 4.528 30 10 IJEE C=CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(I)c(Br)c1 2337095386 AAAYGSAPYXSPTL-QMTHXVAHSA-N 434.115 4.528 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339576154 DZEVRGHINRLKIA-PKOBYXMFSA-N 443.397 4.641 30 10 IJEE C[C@H]1C[C@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339578083 BORRVTUMTGLPRW-QGUQWCRPSA-N 444.381 4.751 30 10 IJEE N#Cc1c(F)cccc1OCc1ccc(I)c(Br)c1 2349837179 UPIRRNHZZULIRC-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE CC1(C)OB(c2ccc(N[C@@H]3C[C@@H]4C[C@H](OCc5ccccc5)C[C@@H]43)c(C#N)c2)OC1(C)C 2364744798 CKLYJUGMFXMRHJ-ZVEUQFOJSA-N 444.384 4.653 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(OC)ncc(Br)c1C 2370554959 IBYBMNONXFKVQM-DOTOQJQBSA-N 442.398 4.671 30 10 IJEE N#Cc1ccc(Br)cc1N[C@@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2378881914 CSHRHNFDPKMBEN-FPOVZHCZSA-N 429.314 4.715 30 10 IJEE CSc1nc2n(n1)[C@@H](c1ccc(F)c(Br)c1)C1=C(CC(C)(C)CC1=O)N2 9496007 NVBZKFOUZRFXGT-HNNXBMFYSA-N 437.338 4.560 30 10 IJEE C=CCNc1nnc(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)s1 11394281 FBJZGXNTABRUKW-UHFFFAOYSA-N 431.612 4.916 30 10 IJEE O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccc(Br)c1 13302306 UQBBVLOHGUMVFC-CLCOLTQESA-N 426.701 4.900 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 14101773 MPEYZCYFTXGNNF-UHFFFAOYSA-N 434.609 4.880 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccccc2Cl)NCc2ccc(F)cc2)n1 14156868 MWJVOKJJLRSVNG-UHFFFAOYSA-N 442.951 4.841 30 10 IJEE CCc1cc[n+](/C(C(=O)c2ccc(Cl)c(Cl)c2)=C(/S)NC[C@@H]2CCCO2)cc1 22691055 KACDCDHJVJIGLO-INIZCTEOSA-O 438.400 4.551 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)/C=C\c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 33526686 ZAPRFDMZWXZYES-IPYQYMIDSA-N 428.488 4.976 30 10 IJEE COc1cc(C(=O)Oc2ccc(C(=O)/C=C\c3ccccc3F)cc2)cc(OC)c1OC 34954586 UGTSQBWWFFHXBT-RAXLEYEMSA-N 436.435 4.967 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1cccc(Br)c1 39898623 HNZUPTAFSPZJJG-LJQANCHMSA-N 444.716 4.929 30 10 IJEE COc1cc(N/C(=N/C(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)cc(OC)c1 66437815 UWXBVRCZSIHSPD-UHFFFAOYSA-N 442.519 4.626 30 10 IJEE biogenic C=CCc1cccc2cc(C(=O)Nc3cccc(C4=CN5C=CC=C(C)[C@H]5N4)c3)c(=O)oc12 101029176 SKBHQWRGQYCUAR-VWLOTQADSA-N 437.499 4.777 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 104400900 HNTJFVNJZYXPAF-JIQTZNNJSA-N 427.287 4.640 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2c2ccccc2O)cc1 169923789 DCEMVDPEBHQJBL-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccccn2)cc1 169926871 XMESRZSWVKDCLE-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2cccc(C)c2)c1 169931049 HZCVMVMSVWCIKU-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cc1[N+](=O)[O-] 169941317 OIJPXRADGHYYAY-XKZIYDEJSA-N 440.481 4.740 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 169955673 HVXJXTPIUQXALU-JOCHJYFZSA-N 447.922 4.580 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170066852 HIRNPBPWABXGHV-XUZZJYLKSA-N 447.531 4.502 30 10 IJEE COc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170137228 YZDVSSNECAIGIL-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2cccs2)c1 170154033 UKNTYORDGMRNAI-JOCHJYFZSA-N 447.512 4.865 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)cc1Cl 170233587 PJQIAOHMGNDZTQ-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCOC(C)C)[C@H]3c3ccccc3)oc12 170233752 LXRVESIEVVCEJL-QFIPXVFZSA-N 449.503 4.835 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2F)c1 170247418 CIVAGOJVHWUSCR-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)cc1C 170305268 PISMVJGVJUKBLR-JOCHJYFZSA-N 428.444 4.560 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2sccc2C)cc1OC 170405391 RYWRFQKGAPWKGQ-FQEVSTJZSA-N 435.501 4.857 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 170410262 PYFNBKDVTQUBTL-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1cccc(OCc2ccccc2)c1 170457754 TXSLUGWTASQYIV-DEOSSOPVSA-N 437.536 4.613 30 10 IJEE CCc1ccccc1NC(=S)NN=C1C(=O)N(Cc2ccccc2C)c2ccccc21 254568747 FXEXVCGHYOISAZ-UHFFFAOYSA-N 428.561 4.795 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C#N)(c2ncc(Br)cc2C(F)(F)F)CC1 400144767 ATFNYURCSYADCV-UHFFFAOYSA-N 434.256 4.655 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(OC)c(Br)c1OC 407571166 KQHCRBOCBURAQX-PBHICJAKSA-N 443.382 4.586 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 460927836 OAZRIWODAIGBKK-HYBUGGRVSA-N 444.535 4.643 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)CC2 474900590 QHNLGWOXCWLJQP-FQEVSTJZSA-N 428.536 4.922 30 10 IJEE Cn1c(O)nc2ncc(-c3cccc(C(=O)N[C@H](CCCC#N)c4ccccc4)c3)cc21 487505688 UXHRNSMBXZIDOY-OAQYLSRUSA-N 425.492 4.506 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526823520 WLXJVVWPCLIMQN-MSXFZWOLSA-N 441.944 4.557 30 10 IJEE CCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(=O)OC)cc2)cc1Cl 526827057 HTSPXKTYMKVPAH-MSXFZWOLSA-N 444.944 4.681 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2c(OC)ccc3ccccc23)cc1 526827518 UDDYJUIEMGUGKM-QFEZKATASA-N 446.532 4.709 30 10 IJEE C=CCN(C(=O)c1cccc2ncnn12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 542473817 PMBZKUMSZCIIJR-UHFFFAOYSA-N 430.320 4.992 30 10 IJEE COc1cc(Cc2noc(Cc3cccc(C#N)c3)n2)cc(Cl)c1OCC(F)(F)F 545670375 WHEXTUOFHHFZAQ-UHFFFAOYSA-N 437.805 4.726 30 10 IJEE N#Cc1cccc(/C=C/c2nc(-c3ccc(OCc4nnc5n4CCCCC5)cc3)no2)c1 546233743 GMDRDDCDPXSKJE-MDWZMJQESA-N 438.491 4.676 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C[C@@H](c2ccccc2)O1 569711493 IEEZQGWRCGDTQG-CPJSRVTESA-N 435.531 4.831 30 10 IJEE CCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccc(C)c1 598048179 BMHHTJMAZPBFMZ-HRZDDSQGSA-N 425.602 4.685 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604488064 KVSPFDFTJFEGEO-UHFFFAOYSA-N 429.436 4.874 30 10 IJEE CCOc1ccc([C@@H](O)C[C@H]2SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 606657398 PESFUAQVTCAEJX-DLBZAZTESA-N 425.337 4.735 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c(C)s1 698401418 VXUCDJCOXRYSOW-HNNXBMFYSA-N 430.412 4.963 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)OCc1cc(Cl)ccc1OCC#N)c1ccccc1 735353451 BXYHKZUZYCVCJP-IBGZPJMESA-N 430.888 4.552 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C[C@@H](C)c2ccc(C)cc2)C1=O 737414615 PGEMDRQPUMPAGB-AUUYWEPGSA-N 447.963 4.659 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 744840224 NRFKTOTYWRADAH-QQMNAOGKSA-N 434.492 4.517 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 800778024 WRAZWDLXEPMSRF-XMMPIXPASA-N 445.542 4.712 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc1OC 1125225665 FARUTCPJVYILGF-XFFZJAGNSA-N 428.916 4.704 30 10 IJEE C#CCN(C(=O)c1ccc(Cl)c(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 1126229534 PYVLWDKYDNDBCX-QGZVFWFLSA-N 434.717 4.710 30 10 IJEE C=CCSCCNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 1127878131 YZNQKGXMDSBTEF-UHFFFAOYSA-N 432.014 4.866 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1132306239 HFZQWACVUFMXTD-HFZDXXHNSA-N 439.559 4.635 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)CCCC1(C)C 1139510894 HTYSNYDTOQZMEL-IBGZPJMESA-N 426.561 4.566 30 10 IJEE C=CCn1c(SCC(=O)NCc2cccnc2C)nnc1-c1ccc(Cl)cc1Cl 1150729331 IENXHACGXAZOSL-UHFFFAOYSA-N 448.379 4.550 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 1152605043 CDKGPZFKTLNRAF-GOSISDBHSA-N 432.952 4.772 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C(=O)OC(C)(C)C)nc1 1159085169 YQMYNBJIBPTTKH-KRWDZBQOSA-N 448.564 4.641 30 10 IJEE C=CCn1ncc2ccc(NCc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)cc21 1184067505 RSRXWBXCHBVHSN-UHFFFAOYSA-N 436.556 4.986 30 10 IJEE C=C[C@@H]1CCCCN1CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 1193941890 IVSYUCSLEYYASY-GCJKJVERSA-N 442.485 4.828 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3cc(Br)ccc32)cc1 1199059381 RFIOQMZCJKLPNM-UHFFFAOYSA-N 440.341 4.858 30 10 IJEE C#CCN(C(=O)Nc1ccccc1I)[C@@H]1CCCc2ccccc21 1214584889 VIMHGYOJQYTRRH-LJQANCHMSA-N 430.289 4.836 30 10 IJEE C=CCc1cc(CNC(=O)NCC2(c3c(F)cccc3F)CCC2)cc(OC)c1OC 1221553428 GNPDKVXPEBZCSS-UHFFFAOYSA-N 430.495 4.632 30 10 IJEE C#CCOc1ccc(CNC(=O)N(C)[C@@H](CC)Cc2ccccc2Br)cc1 1228795612 HFEPWQFQZJFYLR-IBGZPJMESA-N 429.358 4.624 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1 1235494007 BIQIGLNUCGWDSV-MRXNPFEDSA-N 433.961 4.609 30 10 IJEE C#CCN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1265209310 ZJLRITOSSOJKCV-LJQANCHMSA-N 446.316 4.731 30 10 IJEE C#Cc1ccccc1CC(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 1274864007 YJPATBBYUCIXGA-QGZVFWFLSA-N 427.317 4.518 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1286339965 RBRWVURNGWGRAC-PMACEKPBSA-N 444.526 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCSC1 1286518765 JMZUZNJDJBDPQX-YZZKKUAISA-N 428.577 4.693 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CC[C@H](C)C1 1286574281 XCRKUWDPVVAHPA-PMACEKPBSA-N 448.615 4.904 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCOc1ncccc1Cl 1286574429 XMPHWPAMXKSJNI-UHFFFAOYSA-N 436.947 4.956 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286589845 IGXNSZZOWUXBKE-HXUWFJFHSA-N 439.604 4.922 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](OCCC)CC1 1286606149 IAEWVNQPKCELET-FQEVSTJZSA-N 437.588 4.805 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1286626781 JGSXHZYCSSTVDM-NRFANRHFSA-N 432.959 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(C)(C)OC(C)(C)C1 1286668077 OVZJMRVMUJVWDF-UHFFFAOYSA-N 440.588 4.712 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCSCC(F)(F)F 1286754859 HJFJAVVMDZNLEU-UHFFFAOYSA-N 435.519 4.911 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C2CCCC2)cc1 1290545879 IQQYPEOVCPWZBH-LOSJGSFVSA-N 446.595 4.871 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nc(C)c(C)s1 1300284159 PRDJZMQIFDOBLH-UONOGXRCSA-N 425.627 4.711 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1300754594 SXOQUQIUDOIEQG-UKRRQHHQSA-N 428.911 4.600 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1300760689 GBPHEAICRURRBI-HXUWFJFHSA-N 448.995 4.673 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1301067378 ZERFIIHUBIWONP-OAQYLSRUSA-N 439.604 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1301152127 USYVWYPHWSOQHJ-PMACEKPBSA-N 431.669 4.990 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(CCc2ccccc2)CC1 1301155043 FEGTVWIMOHSBIW-UHFFFAOYSA-N 449.668 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1301357225 KIYGIRQKMGHCEY-UHFFFAOYSA-N 445.633 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1CC[C@H]1CCOC1 1301365600 TXWLKZYRNNOAGW-KRWDZBQOSA-N 444.551 4.828 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1301410320 BWOTZBDMIXRLMM-NLFFAJNJSA-N 436.604 4.612 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccncc2Cl)C1 1301538600 IZZPMACZGJTHPY-NHCUHLMSSA-N 437.975 4.698 30 10 IJEE N#Cc1cccc(C#N)c1N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 1307155977 BRTLOSWDAUZDNU-UHFFFAOYSA-N 428.923 4.989 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)[C@H](C)CC)nc2cc(-c3ccccc3)sc2c1=O 1307274888 XPAJDIPQSOMBQZ-KDOFPFPSSA-N 428.579 4.991 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1307313555 AIIMYBMKLLWYLE-IBGZPJMESA-N 448.592 4.933 30 10 IJEE C[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1309341385 AIVRMEDTAOHLND-NSHDSACASA-N 436.377 4.505 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H]1COc1ccc(Br)cc1 1310370557 AYORQYWVSKQPQG-KRWDZBQOSA-N 447.304 4.676 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1312371541 UVDMWLRZKPRBKQ-SJLPKXTDSA-N 436.394 4.605 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(OCC4CCCCC4)c3)cc2C1=O 1354066473 VLXNNXXPVFGOJT-UHFFFAOYSA-N 432.520 4.988 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 1357547144 CQQPINDVAGMZAE-DEOSSOPVSA-N 449.913 4.820 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCN1CCCC[C@H]1CC 1359016585 HABQBEQFMSXBPO-HSZRJFAPSA-N 425.596 4.520 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCC1(C)C 1359022131 OFPVIFXLNGBMKN-QGZVFWFLSA-N 445.405 4.620 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1cccc(Br)n1 1359110309 IISIJEKPZUSBFY-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1359124113 ICTWSKWIWIIGIO-UHFFFAOYSA-N 440.544 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CC(C)C)CC1 1359187817 YNKHAMTWGIEIDE-UHFFFAOYSA-N 448.615 4.980 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCCO1 1359268193 HNGDIMCZOZLZDK-HNNXBMFYSA-N 437.769 4.718 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1([S@](C)=O)CCC1 1359268342 MPOGIXHXCHHYLS-ZOKDDAQRSA-N 444.670 4.611 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1359865588 OFUJHUADOSJPSM-QHCPKHFHSA-N 431.964 4.672 30 10 IJEE Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CC#N)CC2)no1 1361071269 HPLFNWIHAMVCAE-UHFFFAOYSA-N 431.327 4.727 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)C(C)(C)C 1439389950 SROVXUUXXJPIMZ-UHFFFAOYSA-N 440.519 4.565 30 10 IJEE COC(=O)c1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc(F)c1Cl 1440051367 DEZPBMJNMCGSPE-UHFFFAOYSA-N 428.803 4.562 30 10 IJEE C#CCCOc1ccc(C(=O)N(CCC)CC(=O)Nc2ccc(Cl)cc2Cl)cc1 1441426319 SEUWFXAHVFXRIU-UHFFFAOYSA-N 433.335 4.886 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C(F)(F)F)cc1 1460039027 GBHURQMBWVLZBI-KBAYOESNSA-N 428.328 4.997 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCCc2ccccc2)ccc1Br 1463372573 DVALABLKILZXIJ-IBGZPJMESA-N 447.398 4.887 30 10 IJEE C#CCCN1CCC(NC(=O)[C@@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 1465397095 ZRIQMHKMFBOISO-QFIPXVFZSA-N 431.363 4.717 30 10 IJEE C=CCn1c(SCc2cc(OC(C)C)ccn2)nc2sc3c(c2c1=O)CCCC3 1472931548 QGXXCKJDNMQQAZ-UHFFFAOYSA-N 427.595 4.997 30 10 IJEE C=CCCC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 1473009306 AREJHZMFGUWERH-UHFFFAOYSA-N 429.339 4.776 30 10 IJEE N#Cc1ccccc1OC[C@H](O)CNC1(c2cccc(Br)c2)CCCCC1 1473566635 BLKIEGPUYVIGKA-HXUWFJFHSA-N 429.358 4.510 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 1476041257 ARZUPMCDWHCHMR-XMMPIXPASA-N 445.563 4.886 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1476151014 SCMBRTAZUIBERI-UGKGYDQZSA-N 441.572 4.732 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn12)C(C)C 1476886114 GPUIYGCZEQGAPO-NRFANRHFSA-N 435.547 4.961 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1 1477907999 VUTBICSNUANUPT-UXHICEINSA-N 435.877 4.607 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1F 1478900030 JTBQIIBSMZKHBW-MDKPJZGXSA-N 449.954 4.586 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1507572697 TYWFUGRWPYVTBE-NRFANRHFSA-N 431.540 4.804 30 10 IJEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1507595158 NBNKXLMXACILKU-SFHVURJKSA-N 439.560 4.559 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1507753696 NMEVBORHAKGILP-UHFFFAOYSA-N 448.558 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC(C)C 1507773791 WTRQSAGDQYKSHM-RUZDIDTESA-N 443.636 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](SC)C1 1507802879 DEUDSKPYARTZBG-VIZSFHNOSA-N 444.620 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1N(C)CCCC1(C)C 1507816079 KATRNMPPCQHHOR-QHCPKHFHSA-N 434.632 4.960 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H]1CCOC1 1507818229 LABTVRJGDULDTQ-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2CCC[C@@H]21 1507838736 HHZBTQFBBIRCLT-KXBFYZLASA-N 449.368 4.818 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CCC 1507864751 FWILFUVLSFCNHY-IAGOWNOFSA-N 426.005 4.770 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccn2)n1Cc1ccc2c(c1)OCCCO2 1507929316 QBXLLOGJMOBQLR-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1508019351 CZHXXQQBBGOSJL-RXVVDRJESA-N 429.634 4.654 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(Cl)cnc2Br)CCCN1C(=O)OC(C)(C)C 1525625932 WUCBLLCZERAHAP-GOSISDBHSA-N 444.757 4.782 30 10 IJEE Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 1526715309 HECYHSHNPRAXHD-UHFFFAOYSA-N 436.397 4.509 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)cc1OC 1528321303 OQXNTSMEQFVUPP-UILAEWCASA-N 435.442 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)cc2)[C@@H](c2cccc(Cl)c2)C1 1530164845 DOTIEBOSLFYXON-HXUWFJFHSA-N 425.916 4.646 30 10 IJEE C=CC[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1ccccc1 1533929763 MGTTWRQDDWYFGM-LZNRXBQRSA-N 430.951 4.717 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1)[C@H]1CCCO1 1537763077 OIFFYDOPMWBXCY-ZWKOTPCHSA-N 448.375 4.672 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539052943 KGHGOGCHHMURJS-XMMPIXPASA-N 447.627 4.605 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C2CCOCC2)C1 1539094499 QNMSUTWQRUJUBC-JTHBVZDNSA-N 436.600 4.701 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(F)(F)Br 1539350343 IIEAASIUYQRJKA-LBPRGKRZSA-N 443.361 4.579 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CC)Cc1c(F)cccc1F 1539629724 XZHLFLBUXXGKQK-JTSKRJEESA-N 441.526 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCc1cccnc1 1539652188 OUJWVLPTNWULJC-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1539690719 GMAKAMWEMIPWAR-UXHICEINSA-N 430.980 4.967 30 10 IJEE C=C(Cl)Cn1c(N(CC(C)C)C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539821116 VWMPNEPOZREFPX-CALCHBBNSA-N 426.005 4.672 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539954980 LHNSSLKASSKSGX-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1539999034 VYCZFGDWPGOANJ-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1540006648 FUJTXXYSJASYKB-YJBOKZPZSA-N 426.417 4.620 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1ccncc1Cl 1540180621 RPLUVTSVUGBBSQ-NRFANRHFSA-N 437.975 4.504 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)CC2=O)cc1 1543887527 AZFYODFPKPQTKO-LJQANCHMSA-N 435.955 4.583 30 10 IJEE CS[C@H](C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H](C)CC#N 1555832237 DDZIVQSJCSKFIW-IAGOWNOFSA-N 425.558 4.607 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1OC 1556982190 ZYLXPIXAXPLYCL-FIYCOQCJSA-N 443.490 4.524 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(F)c(Cl)cc1I)c1ccc(F)cc1 1563126048 WBLFGVFISFFJGS-AWEZNQCLSA-N 446.622 4.719 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1Cc2cc(Br)ccc2C[C@H]1C)C(C)C 1563453447 HYMUODGRZWVBHW-DYESRHJHSA-N 434.422 4.604 30 10 IJEE C#CCN(C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CCCc2ccccc21 1563684440 FQMBUECUGKTGMJ-VWLOTQADSA-N 437.534 4.652 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(C)CC1 1566203482 YDCNYPJLLWNTMO-QFIPXVFZSA-N 438.955 4.953 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccccc1 1584688220 XCYHSTRIVSIOSR-OAQYLSRUSA-N 433.305 4.806 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(C)CCCS1 1588265452 ASSKMIGUBGHENC-WZONZLPQSA-N 428.602 4.562 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@H]21 1589124519 ABJPOXPAAYKABE-DOIPELPJSA-N 430.662 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCCN1CCCC[C@H]1C 1589192093 GWFYASUWHZQONN-NTKDMRAZSA-N 426.008 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCN(CC)C1 1589251004 HORNSTJHYITGRD-FDDCHVKYSA-N 444.048 4.558 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1Cc1nc(C)cs1 1589694409 HQFGFIUBHIPALM-UHFFFAOYSA-N 429.615 4.795 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2oc3ccc(F)cc3c2C)CC1 1594193972 UFYOYYIDKPCNEW-KRWDZBQOSA-N 442.535 4.647 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1594544702 MQNPTBAKTRSEKD-UNMCSNQZSA-N 439.604 4.688 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CCOCC2(CC2)C1 1594651482 LROWZNVYJHVVOG-UHFFFAOYSA-N 428.602 4.552 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H](OC)C(F)(F)F 1594998069 WZDFCFKZAXSWKI-SFHVURJKSA-N 440.510 4.744 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCc2sccc2C1 1595501405 SDFYADVIGOCZAZ-UHFFFAOYSA-N 449.624 4.559 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCC(F)(F)C2)C1 1595743476 BJSBJSJPJWGSBU-PZJWPPBQSA-N 446.542 4.691 30 10 IJEE Cc1cc(C(=O)N(C)c2ccc(C#N)c(Cl)c2)nn1-c1ccccc1Br 1596376203 BFJBWFAFZQHQGK-UHFFFAOYSA-N 429.705 4.745 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(Br)c1 1597317163 CKQJUXMSFFWLKK-LBPRGKRZSA-N 437.787 4.505 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H](C)C2)c1 1597875533 ILVHVZXZOGURHC-FUHWJXTLSA-N 432.973 4.640 30 10 IJEE C=CCOc1ccc(CC(=O)N(C)c2nccc(-c3sccc3Br)n2)cc1 1616284171 BYASRHMEHDUQME-UHFFFAOYSA-N 444.354 4.738 30 10 IJEE CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 1616628585 FUDVNFHFBRWVHP-HHHXNRCGSA-N 428.532 4.941 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2OC)cc1 1621947837 LYJOIZPZJDVAKL-RUZDIDTESA-N 437.561 4.890 30 10 IJEE C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1scc(C(C)(C)C)c1C#N 1625087539 FSACYWFRPRZODK-SFHVURJKSA-N 440.613 4.672 30 10 IJEE C=CC1(CC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)CN(C(=O)OC(C)(C)C)C1 1633583344 TYVOHDKWAFNIJD-HSZRJFAPSA-N 446.551 4.582 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1OC 1636145712 YEKJBMPRTWQLJA-QIBOZCLASA-N 435.442 4.532 30 10 IJEE N#Cc1nc(NC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)[nH]c1C#N 1640270598 GHHBSWWUKFPRQK-QGZVFWFLSA-N 428.304 4.932 30 10 IJEE C[C@H]1CCc2c(sc3nc(CCC(=O)N(C)[C@@H](C)c4cccc(C#N)c4)nc(O)c23)C1 1643327835 CPWAXEGYSPRBRK-GJZGRUSLSA-N 434.565 4.546 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1 1643413026 GRZXTDXXMWMJQN-IBGZPJMESA-N 448.592 4.933 30 10 IJEE C=C(C)CN(CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)Cc1cnn(C(C)C)c1 1645609018 LOJCHJLOALWDIK-KRWDZBQOSA-N 438.494 4.618 30 10 IJEE C=CCOc1c(Br)cc(CNc2cncc(Br)c2)cc1OC 1650895044 BETNQOIHICROFB-UHFFFAOYSA-N 428.124 4.792 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)CSc2nccn2-c2ccc(C)cc2C)cc1 1652495589 FWVDDPUGMHDDGA-UHFFFAOYSA-N 434.565 4.927 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)cc1 1652915798 BTUIEHOMISHBRE-UHFFFAOYSA-N 435.325 4.731 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 1653119768 YSIWZSVIKJWSFH-LEWJYISDSA-N 443.469 4.603 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)CCc2ccccc2F)c1 1653370898 NAMFXXBGHAFMSJ-UHFFFAOYSA-N 440.492 4.573 30 10 IJEE C=CCOc1cccc(CNC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 1656013956 YITRPWUTHXOCAZ-HSZRJFAPSA-N 425.573 4.673 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 1659603744 BRCXRLMSHGJGQA-MRXNPFEDSA-N 430.907 4.986 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(C)ccc2OC)c1 1660400857 KKYQPWIIWPGNFK-UHFFFAOYSA-N 438.501 4.567 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(C(F)(F)F)cc1 1662379431 VZWCOPVDJXQWSF-KRWDZBQOSA-N 429.460 4.708 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Br)c(F)cc1F)c1ccc(Br)cc1 1670809040 JZBKHGLGOBGGEQ-CQSZACIVSA-N 444.073 4.986 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1671851187 CIPFSELMHCNTTK-JXFKEZNVSA-N 437.531 4.918 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO 1672708929 WXZUPBZTQNYDAN-SFHVURJKSA-N 447.373 4.938 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)nn1 1673807702 VWMIVQKIXNUAPV-UHFFFAOYSA-N 447.873 4.530 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1)c1ccc(F)cc1 1676996094 JZIAVKHBQRSHDN-QHCPKHFHSA-N 430.483 4.952 30 10 IJEE C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1679185752 GCCKOIMXEUHEKW-QGZVFWFLSA-N 434.540 4.846 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](c2ccc(OC)cc2C)c2ccccc2Cl)CC1 1679340214 RQUDQNIQHQYHHV-JOCHJYFZSA-N 428.960 4.859 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 1682322522 YNSHBGSUUXJOHO-IBGZPJMESA-N 448.350 4.553 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(Cl)cc(I)c1 1683509509 ZRVJLVBWRFYOKU-BBRMVZONSA-N 432.733 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1nccs1 1689834954 CJVVNQQJRFSPRP-HOTGVXAUSA-N 425.627 4.679 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@](C)(O)c1ccco1 1690196192 AXSZWCQLLRRYRJ-FTJBHMTQSA-N 432.568 4.735 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1CC 1690253732 SMAGFCGOTGWCGY-JUXOCIIHSA-N 430.980 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1690424637 VSFSZOKEXZBVON-OAQYLSRUSA-N 434.588 4.803 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1690444733 LFMWTMXKFQSWAB-VWLOTQADSA-N 444.627 4.544 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1Cc1nc(C(F)(F)F)cs1 1690560013 NGAABDDKILFPNK-UHFFFAOYSA-N 444.486 4.743 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)N2CCC(C)CC2)cc1 1694506070 APZGTRDWMNVFCP-HFZDXXHNSA-N 434.632 4.758 30 10 IJEE CCOCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1696216389 CUBDNPKJOSINGM-HOYKHHGWSA-N 443.567 4.750 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1705510447 PYRWWHFQHOFAMB-FPOVZHCZSA-N 440.563 4.614 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CC(C)(C)C1 1705577943 ZSIMJIRPVJHKHX-UHFFFAOYSA-N 428.536 4.626 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H](C)Cc1cccs1 1705620120 MAVKSJSZFIKIDS-QUCCMNQESA-N 438.572 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)OC1CCCC1 1705698786 YRTDZCBBRDQIPS-SPEDKVCISA-N 444.551 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)Cc1cccs1 1705704929 AQZHFBKWZRKUHL-CVDCTZTESA-N 438.597 4.579 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1705723025 VLHKOJVIPOJEDQ-KRWDZBQOSA-N 426.362 4.914 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705749491 YNAJUZHQZGDKMW-DZGCQCFKSA-N 426.779 4.677 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)S[C@H](C)C1 1705749763 HLMBXLARURSSFV-GHMZBOCLSA-N 433.828 4.852 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(N(C)C)CCCC1)C1CC1 1705849660 SDAIHKIKXGXYOR-SFHVURJKSA-N 427.568 4.586 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1705876332 VGEAYOXCOHBQQG-LJQANCHMSA-N 431.625 4.692 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1[C@H]1C[C@@H]1C 1705882462 XXAIYQWXDRMVEK-LRDDRELGSA-N 425.758 4.581 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCSC(C)(C)C1 1705912928 YUGATXYSTOGULZ-UHFFFAOYSA-N 435.597 4.593 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1oc(CC)nc1C 1722280506 RVXXDUFNSDNNSR-OAHLLOKOSA-N 446.580 4.742 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1722319809 PPYOCKKQJVSQLO-UNMCSNQZSA-N 438.547 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1722586709 PCLUSIGKTRECLC-LJQANCHMSA-N 434.588 4.737 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1722648404 QVGPMCKFLCHJJH-OAQYLSRUSA-N 439.604 4.958 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCS[C@H](C(C)C)C2)cc1 1722705285 BBDOLJWAKLVFTP-YADHBBJMSA-N 442.629 4.711 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC)CC1 1728227314 IEUIISBRBSOVNS-UHFFFAOYSA-N 430.556 4.675 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1740673575 ZFZZPUIXDXSOFJ-RCZVLFRGSA-N 433.644 4.771 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CC1CCN(CCC)CC1 1740677492 LREJYCFMXKGJNW-FQEVSTJZSA-N 425.596 4.693 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740678544 FCDKVNTYZJWDCF-ISJBWFOZSA-N 438.591 4.587 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)SC 1740725455 QOQIZKXKURKACG-HOYKHHGWSA-N 442.629 4.951 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nc(C(C)C)cs1 1740774121 MKWMHDSEPHPXSH-FQEVSTJZSA-N 439.585 4.821 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740778176 MIDWDGGABZSDPN-SFHVURJKSA-N 431.378 4.537 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1740788513 VLRWAIJAYCDKNY-NHCUHLMSSA-N 445.007 4.975 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC2CCOCC2)CC1 1740835255 CWWYDAQJQRTACT-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](OC)C1 1740845311 KTDPOGLUNPSOGV-HNNXBMFYSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCCOC 1740845604 VPMJZBDECTVLIY-UHFFFAOYSA-N 427.412 4.844 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1740846250 SGAPJBZVBVWUHJ-KRWDZBQOSA-N 438.542 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(C)c1C 1740852057 INTWFGQPEWGYLW-UHFFFAOYSA-N 436.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 1740852930 VBDQTBIBDTUTCR-MOPGFXCFSA-N 447.624 4.568 30 10 IJEE C=CC[C@H](Cn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1740855995 QJXBZDZQCBPNMG-JOCHJYFZSA-N 437.632 4.630 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1740865605 YSTMSJBAKVYMJS-SFHVURJKSA-N 442.658 4.626 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1740872211 BOFXLFJDCHVWSH-KXBFYZLASA-N 431.378 4.678 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(OC)CCC(C)CC1)C1CC1 1740907551 WXXVRCNHYRIFRJ-UHFFFAOYSA-N 440.588 4.712 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCCCC2(F)F)C1 1740983561 KSMFHKLBNZVUSW-TZIWHRDSSA-N 446.542 4.772 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(SC)CCC1 1748655352 VZUJRCVFQZNPQH-GOSISDBHSA-N 436.581 4.861 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CC12CCOCC2 1748919027 XKSMVKLPNPZIGX-QFIPXVFZSA-N 436.600 4.646 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1749204470 HHQUQHSXMVIYKW-SFTDATJTSA-N 441.595 4.663 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1749420751 BBPIRPPPPOKXST-LJQANCHMSA-N 431.462 4.836 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccncc1Cl)C1CC1 1749508022 HIUMPROVZRCIOA-HNNXBMFYSA-N 427.911 4.809 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1Cl 1750085316 ATVUIUXTOZGEKF-ILZDJORESA-N 429.996 4.689 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H](C)CC#N)n1 1751739818 DZOJYMOUFVPZOE-IEBWSBKVSA-N 438.601 4.781 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760145615 ROQRMULORQHIAU-FCHUYYIVSA-N 446.599 4.566 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)CCCCc1ccccc1 1760310163 UWGYNHQUQDXEKB-UHFFFAOYSA-N 440.389 4.632 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H](C)C1CCC1 1760310387 CYAIBJZCOIXAOS-MRXNPFEDSA-N 444.377 4.652 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCC(F)(F)F 1760331387 SARGWRJSULKBIN-UHFFFAOYSA-N 434.304 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1760341102 ZIXZFOYFOILEHX-AOJNWGRGSA-N 438.616 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760409781 HAGKOUDZFPSARK-LJQANCHMSA-N 425.577 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1760414875 GXHQOQKSRBPOFY-UXHICEINSA-N 430.666 4.852 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1760418738 XHXTUYHJOOARDI-YADHBBJMSA-N 439.604 4.782 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)c1cc(OC)cc(OC)c1 1760444639 MPQOSYCKXPIIHE-NHCUHLMSSA-N 428.577 4.948 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2CCC[C@@H]21)C(C)C 1760489238 DEPSMQADRXTHFI-ACESQOTJSA-N 427.637 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1cc(C)nc(N2CCCC2)c1 1760496326 QJXPXRWGSJBWES-UHFFFAOYSA-N 446.574 4.538 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCC=CO2)C1 1760547890 UEQSIVZGQFBZQU-MOPGFXCFSA-N 447.004 4.698 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1 1768501807 HLYOYEAOYDTRLN-UHFFFAOYSA-N 434.613 4.635 30 10 IJEE CCOc1cc(/C=C2\SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)ccc1O 1772737835 MZNVFWMVNSSQJL-NVGQKUQCSA-N 444.582 4.888 30 10 IJEE N#C[C@@H](c1ccccc1)N(C1CCCC1)S(=O)(=O)c1ccc(Br)s1 1858009486 SYDUOLYYLCHWQD-HNNXBMFYSA-N 425.373 4.709 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4cc(F)ccc4F)cc3)CC2)c1 1860685024 PTWANMSFCNALRA-UHFFFAOYSA-N 444.437 4.985 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)C1CCN(Cc2ccccc2)CC1 1861168453 RBRPFKDAFFZMHN-RUZDIDTESA-N 443.676 4.906 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1862384640 WWMKXGZSOIHXIT-KRWDZBQOSA-N 433.247 4.642 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862413570 GSTXEOZBTSZFFP-NRFANRHFSA-N 427.447 4.884 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1F 1862470080 FKJCIRUAWBTXMZ-KRWDZBQOSA-N 436.252 4.714 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862512987 ZOKNDFFHDKIZGC-OAQYLSRUSA-N 439.483 4.545 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccccc2C)cc1 1862554572 GJGJGPHMOKMCOB-BXKMTCNYSA-N 442.515 4.925 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862616044 PFAQNLIYOPSRMH-NRFANRHFSA-N 435.520 4.917 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCc1cnc[nH]1 1862662394 JHSODJGBJWRQBJ-HSZRJFAPSA-N 429.520 4.663 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCCCO 1862713301 MCKPNGWGPKPNFM-XMMPIXPASA-N 429.516 4.889 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862745069 AFNVDSTWZBCFQN-YCRPNKLZSA-N 438.480 4.760 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C 1870089466 OJIMGLKXHZGPIF-UHFFFAOYSA-N 441.597 4.957 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)CSc1ccccc1 1870160304 LAAVGMSCLRKEBR-UHFFFAOYSA-N 437.834 4.542 30 10 IJEE CC(C)(C)SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCCCCO 1870233701 CHNQRUYYZLSRNP-UHFFFAOYSA-N 428.598 4.883 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1ccc(C)cc1 1871187020 RJODZBMMZSTLFV-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE CCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCO)cc1 1871253977 NSFFAWYOYWZZSY-UHFFFAOYSA-N 445.563 4.636 30 10 IJEE CC(C)OC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 1871345766 MAKQQFJZXWYGGA-FMCGGJTJSA-N 445.471 4.813 30 10 IJEE Cc1c(OC(=O)c2ccc(OC(=O)C(C)C)cc2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871390567 CDUYMIPHHIATPJ-HMAPJEAMSA-N 443.455 4.787 30 10 IJEE O=C1/C(=C/c2ccccc2Cl)Oc2c1ccc(O)c2CN(CCO)Cc1ccccc1 1871393717 GIZBGSKITXSBQS-UCQKPKSFSA-N 435.907 4.656 30 10 IJEE COc1cccc(/C=C2\Oc3c(CN4CCOc5ccccc54)c(O)cc(C)c3C2=O)c1 1871396126 QBBTUJSNFKHDNZ-UCQKPKSFSA-N 429.472 4.724 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 1871433020 JQMKWJZLQIFFPL-LZAZYHHXSA-N 440.492 4.739 30 10 IJEE Cc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871453760 QGIYIAYKPRSBFK-UUYOSTAYSA-N 430.416 4.537 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872267649 JPLQKZBXTZNDFU-LAUBAEHRSA-N 434.989 4.879 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCc3ccccc3)c2)=C(c2ccccc2OC)C1=O 1873399670 YYCFTSJQUSMRHA-UHFFFAOYSA-N 440.499 4.652 30 10 IJEE Cc1ccc(CCN=c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(C#N)cc3)[nH]2)cc1 1873478525 IGFBMLLCRXQEDH-UHFFFAOYSA-N 445.530 4.816 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657578 IPGKESUNWBFIRQ-LJQANCHMSA-N 444.583 4.706 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(OC)cc1OC 1874327935 OPKLKJSWVUDRJX-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2cccc(O)c2)cc1 1874426811 BTEKHQVQBVAABU-OEAKJJBVSA-N 431.477 4.733 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1cccc2ccccc12 1874435983 GYPQFHOMOKJCDR-LGJNPRDNSA-N 449.967 4.895 30 10 IJEE CCOc1c(Br)cc(/C=N/n2c(SCC)nnc2C(C)(C)C)cc1OC 1874481921 GAZPOAGNABLVOI-RGVLZGJSSA-N 441.395 4.740 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1cccc(Cl)c1 1874522136 DBWQPNXIAXBSKQ-FSJBWODESA-N 427.961 4.724 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NC2CCCCC2)cc1C 1874574257 DGYBWMFOIIGMFR-WYMLVPIESA-N 437.536 4.736 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC(=O)c1cnccn1 1875182477 FQRDSZKZOZWIKB-VOTSOKGWSA-N 432.476 4.534 30 10 IJEE CCOc1cc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)CCOC 1875183694 ODESHPDTGFGSLE-BQYQJAHWSA-N 441.480 4.757 30 10 IJEE CC1(C)CCCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)[C@@H]1C#N 1902266000 SDJNLQAFYAYZAX-HSZRJFAPSA-N 443.547 4.598 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1930735656 RWJLOBICRDTKIK-TZMCWYRMSA-N 435.156 4.714 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1(C#N)CCCC1 1984690953 RZJHPFJWLQGTAL-DEOSSOPVSA-N 445.563 4.844 30 10 IJEE N#Cc1ccc(Br)cc1N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 1998965075 XCKKYHCYSKHBCU-MRXNPFEDSA-N 442.235 4.590 30 10 IJEE CCOC(=O)c1c(C)oc2c1C(=CNC1CC(C)(C)NC(C)(C)C1)C(=O)c1ccccc1-2 2040466908 RVTIPIKUKLOASH-UHFFFAOYSA-N 436.552 4.868 30 10 IJEE CCc1ccc(C#N)c(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2084740281 ZTNXEOXOWXBNPD-HSZRJFAPSA-N 434.584 4.654 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 2145540501 DRKFFKATHDPWSV-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1ccc(C#N)cc1Br 2181109529 FULGHMPSLFRXDF-INIZCTEOSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)NCCC1(C(=O)Nc2ccc(C#N)c(Br)c2)CCCC1 2181111392 SFSNMCSKMRKLMA-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1 2181147428 RVMXOCLEMBBZEC-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE Cc1nc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2190478346 LFHMLKIDKAOBBI-ZPFZUWPUSA-N 448.416 4.509 30 10 IJEE C[C@H]1CN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2220075437 FUCZVCFBNXCPTQ-XUVXKRRUSA-N 440.462 4.531 30 10 IJEE C=C([C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221673235 NFUTYZHWTNTMHM-DLBZAZTESA-N 428.443 4.679 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2235718867 FCCFVNLESOBAKK-AVRDEDQJSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C1CCC1 2235725734 DSTGAFFWKCRPFJ-ICSRJNTNSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](O)C#Cc3ccccc3Br)CCCC[C@@H]12 2235735591 UINLADWBDKWGOW-WOIUINJBSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]2CCC[C@H]2N1C(=O)OC(C)(C)C 2235735622 UKLAGVSGTUZFOH-AFYVEPGGSA-N 433.390 4.567 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2235747966 UYUOOIZALIRBIL-OXJNMPFZSA-N 445.348 4.717 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C12CCC(CC1)N(C(=O)OC(C)(C)C)C2 2235748005 VOCMCENLGJSDTJ-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CCc1ccc(C#C[C@H](N)c2cc(I)ccc2Br)cc1 2239644097 YTUOOWAUOUPLJU-KRWDZBQOSA-N 440.122 4.668 30 10 IJEE Cc1cnc(NC[C@]23CC[C@@H]2CCCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241053366 AVUXOZUMHWIWEC-WXVAWEFUSA-N 447.432 4.546 30 10 IJEE N#C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 2243917530 UEFFGUFMLQRPNV-VWLOTQADSA-N 439.515 4.686 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2262206224 NYGNXXTWLQUIQP-OFVILXPXSA-N 447.572 4.655 30 10 IJEE CC(C)(C)OC(=O)NCCCN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1)c1ccccc1 2267178225 YXPBBBRCJGAJDY-UHFFFAOYSA-N 444.381 4.561 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2268998236 QISVLXBIOPYSKS-UHFFFAOYSA-N 447.291 4.750 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2278809624 OLWBJXLCRUPYRS-WMZOPIPTSA-N 435.387 4.716 30 10 IJEE CC1(C)OB(c2cnc(NCc3cc(Cl)ccc3Br)c(F)c2)OC1(C)C 2284361903 HNKGMOIHVMGGTB-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2c(Br)cccc2C#N)Cc2ccccc21 2285156635 SHFKZYVIBNEFJC-SFHVURJKSA-N 428.330 4.907 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 2296219361 NGIMEMNRBSFXMM-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(F)(F)F)C(C)(C)[C@H](N)C#Cc1cccc(Br)c1 2296221760 LLHOIBOEQPPSOL-CABCVRRESA-N 449.311 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](N)C#Cc3cccc(Br)c3)CCC[C@H]12 2296270968 CANFKWZKROYZOQ-DXIQSLLYSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296277608 USWLRROUKZCJSZ-GCJKJVERSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296294569 VUAWFIOCKHMCAL-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE O=C1C(=CNc2ccc(F)c(F)c2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 2297378273 HFWYJGIRZUWBJY-UHFFFAOYSA-N 432.473 4.513 30 10 IJEE C=CCC(CC=C)[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2301015080 KSIWXUTXQGBFNK-BVAGGSTKSA-N 427.633 4.902 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2305317186 SQCXMSKYWTVHHG-IZZGNVEXSA-N 428.573 4.601 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 2314478940 YEKLIQHYPORJGA-DEOSSOPVSA-N 429.472 4.856 30 10 IJEE C=CCNC(=O)c1cc2ccc(OC(=O)C=Cc3ccc(Cl)cc3Cl)cc2oc1=O 2314748684 ORWDBWGTWGLIJK-UHFFFAOYSA-N 444.270 4.634 30 10 IJEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCC(=O)Nc1ccccc1C 2322703781 ZXHMESJZUXCCIQ-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)c(OC)c1 2323290999 ZQXBQKLMTMRDLB-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OCC(=O)OC 2324140260 RZEWMBUUMRBPQU-UHFFFAOYSA-N 435.432 4.595 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2324675541 QTMNPFNNJYBWCG-UHFFFAOYSA-N 433.416 4.677 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccncc1 2326071235 UHUBICKYNUNBFR-UHFFFAOYSA-N 427.961 4.889 30 10 IJEE COc1ccc(CCc2nnc(SC)n2N=Cc2cc(Br)ccc2F)cc1 2328570044 UNGWHAUSJDZZIP-UHFFFAOYSA-N 449.349 4.578 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2cccnc2)cc1 2328571496 PMDGQDNIKBAPEE-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2329571178 OZZWKSVWBKFCIC-UHFFFAOYSA-N 426.929 4.920 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2329851406 KNIVRZDUFJYSBM-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE CCCSc1nnc(-c2ccccc2)n1N=Cc1cc(Br)cc(OC)c1O 2330681484 YOOGGJDRKJAMRB-UHFFFAOYSA-N 447.358 4.806 30 10 IJEE COCCc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1OC(C)C 2331282214 RASRDMWORHKRSH-UHFFFAOYSA-N 428.533 4.568 30 10 IJEE COc1cccc(CCC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c1 2331397622 RXDGINNBKHWKSP-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE C=CC[C@H]1CCC[C@@H]1NC(=O)c1cc(I)ccc1Br 2337093699 HTODPPGWCVHGEF-HZMBPMFUSA-N 434.115 4.528 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339578139 CNFJAVCMPONHPQ-XYDKVEKUSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2339585679 SIYXIEGNNGCKDC-YZGWKJHDSA-N 441.381 4.536 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360944072 NZQMMJNNRFPNLL-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE CN(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)Nc2ccc(F)cc2)cc1 10828895 FVYMLSTVNVTMKB-UHFFFAOYSA-O 430.475 4.508 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccccc2Cl)NCCc2cccs2)n1 14158972 FQBBAFXIPJLFRL-UHFFFAOYSA-N 445.017 4.806 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)SC1=S 33414448 SILQXMFOVXPMPJ-BKUYFWCQSA-N 436.558 4.923 30 10 IJEE CC[C@H]1Oc2ccc(NC(=O)c3ccc(C#N)cc3)cc2CN(Cc2ccccc2F)C1=O 35909087 ZPMASOXEZCIUED-HSZRJFAPSA-N 443.478 4.649 30 10 IJEE CCOC(=O)C1=C(Nc2cc(C)cc(C)c2)S/C(=C/c2ccc(O)c(OC)c2)C1=O 36301480 VFTMXAXYELCXBF-XDHOZWIPSA-N 425.506 4.561 30 10 IJEE C=CCNc1nc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)nc2ccccc12 41150777 MXNCHSCVOCCATM-UHFFFAOYSA-N 428.367 4.857 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1cccs1 59038713 XFKLEHZCUUDWRN-ZVBGSRNCSA-N 441.369 4.740 30 10 IJEE COc1ccc(N/C(=N\C(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)cc1OC 66437700 BRNPAHABWZPCQV-UHFFFAOYSA-N 442.519 4.626 30 10 IJEE biogenic COc1ccc(/C=C2\CC/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC 84707809 FIXSNVIGQYWEGE-WXUKJITCSA-N 440.492 4.568 30 10 IJEE O=C(NCC#CCOc1cccc(Br)c1)Nc1ccccc1C(F)(F)F 90731376 DWIXUNCTORBXLL-UHFFFAOYSA-N 427.220 4.672 30 10 IJEE COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)/C(=N/c2cc(Cl)cc(Cl)c2)S1 100294627 JEXXJCRWQDZMFA-BWORXHKJSA-N 438.336 4.592 30 10 IJEE O=C1C=CC([N+](=O)[O-])=C/C1=C1/NC(c2ccccc2)=C(c2ccc(-c3ccccc3)cc2)N1 137373596 CXGKNLSLWKRQJK-SLEBQGDGSA-N 433.467 4.883 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccc(F)cc1 169940914 VSXZNQOHMJPRHG-LJQANCHMSA-N 438.480 4.691 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(N(C)C)cc1 169953967 SZTRVLGKBMDGQC-XMMPIXPASA-N 442.515 4.853 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 169957006 RRLSHOTZWPQYMC-HSZRJFAPSA-N 434.536 4.672 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cc(F)ccc2F)c1 169971823 JEQXPNFQVYVYEV-HSZRJFAPSA-N 447.437 4.991 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccnc1 170005653 GZDGUUFRMHVGHS-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2cccnc2)cc1 170011046 ZBTRHOSGTVVBAL-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2C2CCCC2)cc1 170116993 WNAPODBYUZNRQK-NRFANRHFSA-N 441.911 4.878 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(C)c2)c(C)c1 170148059 OONIIJRWQILUHH-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)c1 170190094 SJYSZMILJUJKHX-HSZRJFAPSA-N 444.487 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1OC 170256387 ZIDICJVYGLAOIK-HSZRJFAPSA-N 446.503 4.706 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)cc1C 170256949 MGTJGTAZYKNKOU-JOCHJYFZSA-N 449.528 4.939 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(O)c1 170263979 FTRJRJQABPMZDN-DEOSSOPVSA-N 449.547 4.664 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)cc1C 170275187 ZCNWOBCKDQIIJZ-XMMPIXPASA-N 442.515 4.876 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1C 170277706 XOLFJTFOGHQOHG-NRFANRHFSA-N 426.944 4.569 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)o2)c1 170305229 PNDPYXMUKKXNIM-NRFANRHFSA-N 448.862 4.905 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC(C)=O)cc1 170320564 OEADIDFFTGPUCF-HSZRJFAPSA-N 429.472 4.753 30 10 IJEE CCOC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccc(C)c2)cc1 170459640 RPURUTHGDGNWCE-QFIPXVFZSA-N 435.520 4.616 30 10 IJEE COc1cc(C=Nc2cccc(C(=O)O)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252595530 CBSVVLWTFVISRI-UHFFFAOYSA-N 437.364 4.753 30 10 IJEE COc1ccc(-c2ccc(C#N)c(S[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)n2)cc1 261526647 FUVBMYXQSWGYIY-FQEVSTJZSA-N 449.919 4.706 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460787212 BDBQAWGVNJWCBO-HHHXNRCGSA-N 446.595 4.581 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCO1 461164761 RJVVBLOOQAKBHD-NRFANRHFSA-N 429.524 4.500 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508862660 HHVDCXGZAMHPKM-JOCHJYFZSA-N 439.991 4.803 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(c2nccs2)CC1 558981971 TYEJFIUYXCSBGR-UHFFFAOYSA-N 431.512 4.963 30 10 IJEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@]2(CC=CCC2)C1 566573759 CSYZOEVROVDORA-SANMLTNESA-N 444.583 4.578 30 10 IJEE CC(C)(C)c1ccc(C#N)c(N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)n1 613429194 NKXXPWSHYSTUBD-IBGZPJMESA-N 428.540 4.610 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@@]2(CCOC2)C1 670201547 FZULXGNVENYMRL-AREMUKBSSA-N 448.542 4.856 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(OCC)cc2)[n+]2cc(O)ccc2C)c1 726572660 HYCSYTKWRRZFLM-UHFFFAOYSA-O 431.537 4.691 30 10 IJEE C=CCCCN(C)C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 736526581 RVDWVLANYHYYQZ-UHFFFAOYSA-N 432.973 4.520 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)/C(C)=C\c1cccc(Cl)c1 758882800 DRHFZZPKOSSRSE-WAIALKQBSA-N 426.900 4.630 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2O)c(OCc2cccnc2)c1 766492762 XWGVKLGPNZDPRY-VMPITWQZSA-N 430.382 4.685 30 10 IJEE C=CC[C@@]1(C(=O)OCc2nnc(-c3ccccc3Cl)o2)CCCN1C(=O)OC(C)(C)C 791818670 DFSROPURMLBRGM-QFIPXVFZSA-N 447.919 4.779 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccc(C)cc1 799218888 IAGRAKLICVCRHA-QGZVFWFLSA-N 446.370 4.738 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 800781597 NIQFTZSQSAWUMM-UHFFFAOYSA-N 439.563 4.784 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OCc3ccc(F)cc3)n2CCOC)CC1 802513855 QQGAAJISUILYQR-UHFFFAOYSA-N 436.531 4.712 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1 814620858 JOLPBBYHJOIOSW-DNQXCXABSA-N 449.551 4.810 30 10 IJEE COC(=O)c1ccc(OCCCO/N=C(/c2ccc(Br)cc2)C2CC2)cc1 821234000 OGFPAHNAGJWPLQ-BSYVCWPDSA-N 432.314 4.836 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)Nc2n[nH]c(-c3cccc(Cl)c3)n2)c1 1125425268 DGTSNMDTXPPKPS-UHFFFAOYSA-N 429.867 4.828 30 10 IJEE C=CCc1cc(C(=O)N[C@]2(CNC(=O)OC(C)(C)C)CCCC[C@@H]2C)cc(OC)c1OC 1125929774 SRTFDTYYYYDBNP-GKVSMKOHSA-N 446.588 4.636 30 10 IJEE C=CC[C@]1(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)CCCN1C(=O)OC(C)(C)C 1136463495 QKDXIWWTJDEBCX-XLGIIRLISA-N 442.600 4.959 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2ccc(Br)cc2F)c1C#N 1141799290 HXHUPHANFWVKLZ-SNVBAGLBSA-N 434.334 4.945 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)c(Cl)c1 1157893146 CPLAKOQNBMSTOJ-UHFFFAOYSA-N 446.862 4.653 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C(C)C)s1 1159151179 PCURJGPQSWILMV-IAGOWNOFSA-N 428.067 4.560 30 10 IJEE C=CCOc1c(Cl)cc(CNc2nnn(Cc3ccc(F)cc3)c2CC)cc1OC 1179495003 YXUBYVCGOBUDRS-UHFFFAOYSA-N 430.911 4.867 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)CCc2c(F)cccc2F)cc1 1185778049 DODCUAOXDFDQQR-UHFFFAOYSA-N 444.478 4.550 30 10 IJEE C#Cc1cccc(N(CC(=O)NCCc2ccc(OC(C)C)cc2)Cc2cccs2)c1 1191961595 YDOHQCDRGZKWGO-UHFFFAOYSA-N 432.589 4.882 30 10 IJEE C=CC[C@H]1CC[C@@H](Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1206159418 MEJCJSBDVGROHF-LEWJYISDSA-N 429.605 4.775 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1ccccc1)[C@H](O)C(C)C 1206203880 XNDUKNCZZMGDKN-VQTJNVASSA-N 433.346 4.894 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(C)C)c2ccc(Cl)cc2)c1 1208424975 PTQIUQHNIPNEFS-NRFANRHFSA-N 434.989 4.712 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)cc1F 1208855273 OBQREZRMCXRPPH-UHFFFAOYSA-N 432.742 4.661 30 10 IJEE C#CC1(O)CCN(C(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)CC1 1221833170 ONJPOYCUHLMMIF-DOEKTCAHSA-N 436.640 4.990 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)c1ccc(C(F)(F)F)cc1 1222101972 LVWYWYHIAYGOMJ-GJYPPUQNSA-N 425.495 4.801 30 10 IJEE C#C[C@H](NC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1252479398 MDSJYKJZJKUFIV-RJYAGPCLSA-N 437.943 4.631 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1cscn1 1286499739 VEPDWFBNIUIAGK-UHFFFAOYSA-N 443.667 4.735 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1286500203 SNKRPOBRYMMZTB-QGZVFWFLSA-N 425.627 4.836 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1286500416 XNKJUGGBPSYZFC-FGZHOGPDSA-N 438.641 4.829 30 10 IJEE C#CCSCCn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1286511605 BJVMLHNXTHHVOK-IEBWSBKVSA-N 448.558 4.749 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1286570965 GCOFRGUMINCRMV-UHFFFAOYSA-N 442.523 4.636 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNc2ccccn2)CC1 1286637947 QAGGYSJINIQEDD-IBGZPJMESA-N 436.535 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2O)C1 1286673392 UUHIPQDVSVCDIB-UHFFFAOYSA-N 437.975 4.788 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286683153 KTHYKTAPCLKAMC-NPPFBWRTSA-N 428.552 4.917 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286685336 UXBYBBDUSRAWKE-IBGZPJMESA-N 444.023 4.644 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286693918 GCSDHTULYVZWFB-UHFFFAOYSA-N 445.615 4.634 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(C(=O)NCC)CCC1 1286717387 WMNYUCZMGLVYMA-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1CC1(CC)CCOCC1 1286745753 HHDZFQOLKIDQDR-UHFFFAOYSA-N 431.584 4.663 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCSC[C@H]1C 1286829240 GVOXZZUQCWIGNS-CQSZACIVSA-N 439.448 4.569 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1286834177 CCVOUGMDGSSGQG-RTWAWAEBSA-N 426.630 4.835 30 10 IJEE CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 1293175550 CWJTVPDXDNPATK-HXUWFJFHSA-N 448.311 4.508 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1300393900 IPSBISJVTVGRNJ-HDICACEKSA-N 446.542 4.882 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1300643897 OZADXHDKPUPZFW-RBUKOAKNSA-N 446.064 4.804 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC12CCC(CC1)C2 1300654086 SUEDULNRCWESFI-OKFDZGCWSA-N 436.600 4.701 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1300948967 KFWAYBJWLGKKMM-RTBURBONSA-N 437.371 4.981 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC2(CCCC2)C1 1300981342 YJEYNKQRZHDZNN-UHFFFAOYSA-N 430.980 4.970 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1300999468 COZFLBBJTIRIBE-FGZHOGPDSA-N 438.616 4.982 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC(=O)NC(C)C 1301202490 KTIYVQUZUNOUCK-UHFFFAOYSA-N 431.993 4.740 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1Cc1ccncc1Cl 1301337418 GNCNRAGEPVCSQI-UHFFFAOYSA-N 425.964 4.775 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1301349442 LXBQIISJXVMPDL-GGAORHGYSA-N 426.605 4.849 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CCSC(F)(F)F 1301406626 TUUYJJJUPGBKFA-UHFFFAOYSA-N 426.464 4.928 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1301615939 YVXLVPMCBLVGMG-LJQANCHMSA-N 428.602 4.983 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)OC)c2ccccc2c1 1302884220 FLGPBZIKKQUQRH-HXUWFJFHSA-N 426.513 4.815 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)OC 1305686558 HGXPJTZKLAUNJF-SFHVURJKSA-N 435.494 4.801 30 10 IJEE CCc1nnc(Sc2nnc(-c3cc4c(s3)CC[C@H](CC)C4)n2C)c(C#N)c1CC 1306920398 FVVSOKXYGPVESG-ZDUSSCGKSA-N 438.626 4.996 30 10 IJEE N#Cc1cnc(N2CCc3c(Br)ccc(Cl)c3C2)c(Br)c1 1307088134 CKSQMOFUVSQDOR-UHFFFAOYSA-N 427.527 4.694 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C#N 1307443343 BLZSFIGQZVIZCL-KRWDZBQOSA-N 448.386 4.783 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)Oc3c(Cl)cccc32)n(C2CCCC2)c1C 1307752765 BBLZBJPHNPOCIZ-CQSZACIVSA-N 426.948 4.971 30 10 IJEE C=C(C)CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1cnn(C(C)C)c1 1307763287 LWTHEFQMCHLDER-UHFFFAOYSA-N 430.552 4.712 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1COc1ccc(F)cc1 1308110142 HGTHYIPGBMKTTN-MJGOQNOKSA-N 427.545 4.559 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1310833900 FFUBFEDJBZGMKP-CTNGQTDRSA-N 441.535 4.635 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)c(Cl)c1 1311262600 BNJPWNNRMASDFB-UHFFFAOYSA-N 431.989 4.677 30 10 IJEE C#C[C@H](NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1)c1ccccc1 1312937943 UJWPKCICFKPZSH-NRFANRHFSA-N 441.959 4.751 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1 1313220265 UMMUWGJRTYRJQJ-QFIPXVFZSA-N 427.495 4.530 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CC(F)(F)C2)C1 1316529693 BLTZCIYOVGFYPN-SFHVURJKSA-N 441.910 4.711 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)c3sccc3C)cc2C1=O 1353455717 FFVBCLTWFQLJTA-NRFANRHFSA-N 430.529 4.552 30 10 IJEE COc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)sc1Br 1357165127 DQERXTQRDDFXAH-UHFFFAOYSA-N 430.283 4.830 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1358953637 DDEGJBITKUFDCK-HOTGVXAUSA-N 438.519 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCC1CCCC1 1359065852 FVBDNVPEXZUMMH-OAQYLSRUSA-N 430.394 4.998 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](CC)C1 1359092743 FSNJYATWKSZLCK-HQRMLTQVSA-N 432.515 4.764 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2cn(CCCC)nc2C)CC1 1359179741 DRRMENHFAUHBTD-UHFFFAOYSA-N 436.579 4.764 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)CC 1359189529 NEHJVMHNVLOTOJ-RTBURBONSA-N 449.640 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 1359191361 WQQGCIMZYILAEQ-HSZRJFAPSA-N 448.615 4.710 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCCN(C2CCCC2)CC1 1359224720 AKYZJBXBLGGBNB-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1359246513 DKGDMTUAASGNDF-PMACEKPBSA-N 441.595 4.832 30 10 IJEE C=CCN(c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1359246689 IOYMGYBKTLJOFB-RXVVDRJESA-N 447.549 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1359262748 CSPYIFSXCMQZTL-MRXNPFEDSA-N 431.606 4.665 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCC(C)CC1 1359263327 YETUPWXKAAQYAI-FQEVSTJZSA-N 438.645 4.658 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCc2ccc(F)cc2C1)C(C)C 1359264489 GPDDJCSTEQRFDR-QHCPKHFHSA-N 425.596 4.802 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CCc2cccs2)cc1 1359307343 HYMALNLEKZGYPK-QFIPXVFZSA-N 438.597 4.873 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](C)[C@@H]2CC)cc1 1359308373 MPWLPCMZUDAYOI-VGSWGCGISA-N 437.613 4.872 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OC)c(C)c1 1359339242 YAHKVHLXNAQXKV-UHFFFAOYSA-N 444.004 4.866 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](C)CC)ccc1Cl 1360515337 BXTBDLYJGIVKAC-SJORKVTESA-N 434.989 4.886 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 1434920711 NTZLWWPTRHIXQH-INIZCTEOSA-N 427.426 4.899 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 1456451214 WARFSSZIVRFWGO-UHFFFAOYSA-N 440.330 4.610 30 10 IJEE C=CCn1c(S[C@H]2CCCN(CC(C)(C)C)C2=O)nc2sc3c(c2c1=O)CCCC3 1458814496 DETXJROSQCXWDU-KRWDZBQOSA-N 445.654 4.652 30 10 IJEE C#CCOc1ccc(COC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)cc1 1458827599 VTXIKQRDRQAYES-GOSISDBHSA-N 435.549 4.764 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)ccc1Cl 1460037326 FHKFIDKYADYIOC-BPCBYJRWSA-N 432.008 4.547 30 10 IJEE CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC(Nc3ccccc3C#N)CC2)cs1 1460541272 JTVFGJJOMOSOPC-UHFFFAOYSA-N 449.555 4.915 30 10 IJEE C#C[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc(Cl)cc1 1460794826 UALKYOPSGILDQR-SFHVURJKSA-N 436.899 4.893 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CSc3ccccc3O2)cc1OC 1461605531 HCMHCZMDIUBMGI-HNNXBMFYSA-N 436.371 4.665 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2=CCCC2)c1 1461690999 JHOIEZIQLCCWKV-UHFFFAOYSA-N 430.957 4.561 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1OC 1462554482 HGNIGWSHRPABDN-WMZHIEFXSA-N 436.980 4.935 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C)C(C)C 1464868158 DVPDTMSYVSBRSP-IBGZPJMESA-N 434.506 4.832 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(Br)ccc1N1CCCC1 1465840138 ZRGNIYVVRBYRCS-UHFFFAOYSA-N 432.293 4.844 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)c1 1466143284 CXQSBMSMHKXRGR-UHFFFAOYSA-N 437.605 4.980 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(c2ccccc2Cl)CC1 1467865020 YPILDMYGDQTGCQ-IBGZPJMESA-N 435.996 4.628 30 10 IJEE N#Cc1cccc([C@H](O)CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 1473295191 CWTUKSQQAJTOFH-FTJBHMTQSA-N 431.967 4.652 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 1475972435 DFCKXTNGHKPSQJ-JOCHJYFZSA-N 445.560 4.685 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 1476429686 KTOXYJJNAYANDW-SFHVURJKSA-N 428.330 4.570 30 10 IJEE Cc1ccc(Oc2cccc(NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c2)c(C)c1 1476990934 GJKADAMFXWYAMY-IBGZPJMESA-N 442.523 4.500 30 10 IJEE C=CCCC(C)(C)NC(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1479508859 RRUPRGLLNNEQPH-DFBJGRDBSA-N 443.588 4.934 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(C)s1 1504883155 FFJUQFPJTLYOAI-UHFFFAOYSA-N 446.580 4.586 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1507790214 ASBARSLXBWTZHL-GOSISDBHSA-N 431.378 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1507800275 UXFILGGKVHJAFN-FBAVSBLXSA-N 446.542 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nc(C)c(C)s1 1507816220 DMBJSYOGNGTRKY-UHFFFAOYSA-N 449.422 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)c1nc(C)cs1 1507821323 YVYWCJJFZLZANQ-OXQOHEQNSA-N 439.585 4.762 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCCO[C@H](c2ccccc2)C1 1507923628 YXWBMOXIOOLPMI-QHCPKHFHSA-N 431.584 4.834 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1507932882 BQBFLWXHYGVPDZ-YJBOKZPZSA-N 426.458 4.520 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCc1cccc(C)c1)C1CC1 1507988144 PXRIGXTZVADODT-UHFFFAOYSA-N 440.389 4.752 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1507996978 NBJZOOFCNGSNJX-UHFFFAOYSA-N 435.547 4.783 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1C[C@H](F)C1 1508017396 PYRILTOIDSDMMO-UFYCRDLUSA-N 447.599 4.709 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@@H]1C 1509301933 FKOIBPCKOFWNHU-XUVXKRRUSA-N 444.624 4.740 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1CC1 1519158300 BSBYSFPYRMIGAG-UHFFFAOYSA-N 425.533 4.589 30 10 IJEE C=CCCC[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1519989840 RHCQSQIUDKUGHW-RHSMWYFYSA-N 425.367 4.876 30 10 IJEE C#CCOc1ccc(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)cc1 1521374778 NOTWWNSTICWLMN-UHFFFAOYSA-N 433.891 4.544 30 10 IJEE CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(C#N)cc1OC)C1CC1 1522658691 HVRODYLPBBXBAS-FQEVSTJZSA-N 447.318 4.783 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1529253265 HZDPTZGQCLXCDE-XMMPIXPASA-N 430.545 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C#N)ccc2F)[C@H](c2cccc(Cl)c2)C1 1530165095 GUICQVMHFFXWME-FQEVSTJZSA-N 443.906 4.785 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC2(C3CC3)CC2)ccc1Cl 1534345582 XSFPVMUNZRYPLW-UHFFFAOYSA-N 448.947 4.533 30 10 IJEE Cc1cc(NC(=O)CNC(=O)c2sc3ccc(C#N)cc3c2C)ccc1Br 1536820188 ASQZQKSPQAYFQE-UHFFFAOYSA-N 442.338 4.521 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(I)cc(C)c1C)c1ccccc1 1537452770 JGXNRZAYHLEPNR-HSZRJFAPSA-N 439.318 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCc1csc(CC)n1 1539034648 HILNFASTTVTHBQ-QGZVFWFLSA-N 425.627 4.598 30 10 IJEE C#C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1539316968 PPNOSDOHSINWKA-IBGZPJMESA-N 436.968 4.694 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OC(C)(C)C)CC1 1539510441 IRAYKRYULAULGM-UHFFFAOYSA-N 437.613 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCC(F)(F)CC1 1539547968 BJXNVJBNEMGOBZ-HSZRJFAPSA-N 444.526 4.780 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC2(CCCC2)C1 1539579748 CHKHHTPAVXTJGJ-UHFFFAOYSA-N 446.349 4.923 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCSCCCO)CC1 1539877791 FRRGHLHSSHMHOO-KRWDZBQOSA-N 446.686 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539909636 OCUPBYNCOQYIQM-HXUWFJFHSA-N 437.592 4.574 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1oc2ccc(F)cc2c1C 1539946179 ZWQYTHTWUJESKP-IBGZPJMESA-N 439.535 4.654 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(OC)CCCCC1 1540058941 IXWVDRCJTDBHJD-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H](C)CC)n1Cc1noc2c1CCCC2 1540119451 JNRUKNZSAWLDIP-GOSISDBHSA-N 435.572 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1Cc1cc(C)nn1C 1540140828 TYBQJFWCJIEXAS-UHFFFAOYSA-N 438.988 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC1CC(OC(C)(C)C)C1 1540163334 XTZXJIQVRAQINI-UHFFFAOYSA-N 438.572 4.836 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[C@H]2C[C@H](F)C2)C1 1540885435 IOUKUNCJNXMHGE-SNRMKQJTSA-N 449.368 4.627 30 10 IJEE CS[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1555848073 CNQUVWPJJLVSGV-RHSMWYFYSA-N 437.560 4.920 30 10 IJEE C=CCn1c(SCC(=O)c2ccns2)nc2cc(-c3ccccc3)sc2c1=O 1559344464 KLZPCQBMUGQINV-UHFFFAOYSA-N 425.560 4.743 30 10 IJEE C#C[C@@H](NC(=O)NCCOc1c(Cl)cc(Br)cc1Cl)c1ccccc1 1564485673 KXEPXJXUIROMLX-MRXNPFEDSA-N 442.140 4.808 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 1565611875 UPSVWEVWUPIDIJ-JOCHJYFZSA-N 448.567 4.891 30 10 IJEE C=C[C@@H](C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F)c1ccccc1 1566165013 PLUOWOBMNFSQIP-OFNKIYASSA-N 441.499 4.544 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1567637115 GFSLRTMDAWURAW-UHFFFAOYSA-N 428.573 4.950 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCc2ccnc(C#N)c2)cc1 1568543209 DJSKXWSBWNOGBJ-UHFFFAOYSA-N 427.895 4.698 30 10 IJEE C=CCc1cc(CNC(=O)Cc2c[nH]c3ccc(Br)cc23)cc(OC)c1OC 1583798869 ZLLSGTFADOFEGW-UHFFFAOYSA-N 443.341 4.535 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 1584641705 JIYLYUCXPNCODX-INIZCTEOSA-N 443.341 4.622 30 10 IJEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@H]1C 1586406488 AYRWZFQVMXVEJQ-BMCPXHGSSA-N 438.499 4.928 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(I)cc2)C(F)(F)F)cc1 1587315647 SVJRFXAPFQLDAY-HNNXBMFYSA-N 430.163 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)N(CC)CC 1587575617 ZCBSDZBSYJRCQX-XLIONFOSSA-N 425.964 4.733 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1587809104 ZGEBQHIANCEFQI-LRQRDZAKSA-N 445.007 4.963 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1587837370 BFDHRMBIWYMJRO-OALUTQOASA-N 442.007 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@H]1C 1589243194 WTUDKIHEZIIBBT-JIPXPUAJSA-N 449.643 4.631 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCC)CC1CC1 1589578973 JEBAWZCAPXFGFL-DXBBTUNJSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(COCC(F)(F)F)cc1 1589636805 HSNIVOFEQGQOLJ-UHFFFAOYSA-N 445.489 4.870 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](CC(C)C)C1 1593621780 YZSXEIORNDMNTH-LJQANCHMSA-N 434.588 4.514 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCCS2)CC1 1594218615 MQTJKIFNYYWECN-LJQANCHMSA-N 428.602 4.650 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCOc2ccc(F)c(Cl)c2)CC1 1594225535 BYVXJPXLQIFWEM-UHFFFAOYSA-N 427.911 4.614 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCOC(C)(C)[C@H]1C 1594793355 KQHGOMBBXUKFJV-ZWKOTPCHSA-N 444.645 4.728 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CCN1CCc2ccccc2C1 1595161439 AAGQSAJJRGONCM-UHFFFAOYSA-N 435.641 4.789 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]2CCC[C@H]21)C(C)C 1595170693 HWXYIMJQMRKSEJ-OLKYXYMISA-N 441.664 4.640 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)s1 1595229418 RDTOADFTIVOKBI-IBGZPJMESA-N 443.617 4.947 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCC[C@@H]1C 1595243785 FEPMLLLYZVFECK-MHECFPHRSA-N 440.975 4.978 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1595250529 FVJCPYFALXGSMQ-NZQKXSOJSA-N 437.588 4.563 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](COCC)C2)cc1 1595607269 CQNINAINXDCGAJ-NRFANRHFSA-N 436.556 4.713 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3O)[C@@H](C)c3ccccc3)cc2C1=O 1597567229 HMZLEHBWJLYPJP-SFHVURJKSA-N 440.499 4.578 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccsc1 1611753434 BRLQPJNXTYOGBK-INIZCTEOSA-N 425.533 4.797 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c1 1616751969 ITCPRQHFBZQHGO-HDICACEKSA-N 442.581 4.647 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)C[C@H](C)C1CCCCC1 1624061608 DPROSEQYINNHDB-HNNXBMFYSA-N 437.378 4.773 30 10 IJEE C#C[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1 1625078353 WLVKMLXNGHTDHF-FDDCHVKYSA-N 439.397 4.583 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1628408282 DMMPYZHRFDHXBR-SANMLTNESA-N 437.543 4.863 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)ccc2c1=O 1630294717 GAJZKYAOPPORJX-FQEVSTJZSA-N 439.556 4.918 30 10 IJEE CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@@H](C#N)C2)cc1OCCC 1634196765 GPMFCEZXOKSPPP-IBGZPJMESA-N 434.536 4.871 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 1639538943 RPOXIJJJOHAFGK-UHFFFAOYSA-N 426.504 4.514 30 10 IJEE C=C(C)Cn1c(Sc2cc(Br)c(C#N)cc2F)nnc1-c1ccncc1 1642405494 ZNICBEBFXOCHBZ-UHFFFAOYSA-N 430.306 4.841 30 10 IJEE CCc1nc2ccccc2n1C1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 1645096624 BMHPVZSUAFLSNY-PHGZLGOBSA-N 435.616 4.555 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(C)(N3CCCCC3)CC2)s1 1651471447 FLIHHQCGZUYACN-UHFFFAOYSA-N 428.067 4.706 30 10 IJEE C=CCN(Cc1cccs1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br 1653487033 NIILWUYXYBESCM-UHFFFAOYSA-N 436.780 4.550 30 10 IJEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCN([C@H](C#N)c2ccccc2)CC1 1653638580 AVWVLWBUQRCBET-RUZDIDTESA-N 433.987 4.584 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(CN3CCOC3=O)c2)cc1OC 1655368767 WHXMRDHNMBMMTA-UHFFFAOYSA-N 447.329 4.587 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)c1ccc(Cl)cc1 1661848590 MUPJOCUURYOFFK-LJQANCHMSA-N 432.351 4.962 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)c1ccccc1 1662358487 HTTMKPMYIZTSMP-MRXNPFEDSA-N 439.331 4.652 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccccc1Cn1cccn1 1662574067 VHCKBGIBPURVGA-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE C=CCOc1ccc(CN[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc1OC 1662989252 DGQHGMXHYHDCRA-BWAGFHJFSA-N 430.589 4.774 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)cc1 1664714396 MVEFQGJJAGEIGR-UHFFFAOYSA-N 435.593 4.764 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1674035747 DWIDOUAXSWVRFQ-CCKFTAQKSA-N 437.943 4.631 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(Cl)c1 1675173312 NUBSECUFLXRULR-CQSZACIVSA-N 435.833 4.526 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@@H](CC3CCCCC3)c3ccccc3)CC2)c1C#N 1676659429 BVZNEHYYFFSTMT-QFIPXVFZSA-N 437.613 4.867 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F 1678917124 TVRKSORZAMOCNZ-UHFFFAOYSA-N 447.226 4.570 30 10 IJEE C=CCC(C)(C)CNC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1679069764 BOMHFHMNYAVRJP-QFIPXVFZSA-N 428.598 4.698 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)Cc3ccc(F)c(Br)c3)cc2n1 1680698303 HDNSSPXQVMIRLB-CYBMUJFWSA-N 431.309 4.877 30 10 IJEE C=CCN(CCc1ccco1)C(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 1682984796 XHIKKPHSGWTDSC-FQEVSTJZSA-N 445.519 4.618 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1685062772 MZMKNZJOHGTYPV-JOCHJYFZSA-N 426.582 4.676 30 10 IJEE C=CCC1(CNC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCCC1 1686451770 UCOBMQWYTYOTFC-IBGZPJMESA-N 427.593 4.564 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCCc2ccccc21 1687577595 BRAAGGZGZIUZPT-LSWJPFSZSA-N 439.600 4.602 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCn2cc(C)nc21 1689829448 YMHDDXIGEULMRW-NNWRFLSQSA-N 446.599 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1CC(F)(F)C1 1690007923 NWCCFKMIOISEAR-UHFFFAOYSA-N 440.494 4.931 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCCCN1CCCC1 1690088341 IZILFJIVWKWMOB-UHFFFAOYSA-N 425.596 4.621 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(c2ccccc2CO)CC1 1690430364 JEIKLIDXCYHZFK-QFIPXVFZSA-N 438.616 4.651 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1690444208 CHBLDMWNPFVEML-GMKZXUHWSA-N 438.616 4.785 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@H](CC)C1)c1ccccc1 1690444667 KOHJQQIMUAQBGV-XZOQPEGZSA-N 433.625 4.956 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1690519708 UWBSKKKCGNWROJ-QGZVFWFLSA-N 435.538 4.749 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccccc1Cl)N(C)C 1690595502 YCYDTYQCMZIOKM-SFTDATJTSA-N 429.996 4.654 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1C 1690601916 FGOAWZWUXTYFKD-RBBKRZOGSA-N 444.583 4.597 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(COC)CCCCC1 1705545922 UCMAWYRNWVDLKB-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCC(Cl)=C(Cl)C1 1705739960 XJVZPAORHRVFTQ-UHFFFAOYSA-N 437.371 4.658 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@](C)(O)CCC(C)C)CC1 1705763612 ZBOIFZRHXRWRCZ-NTKDMRAZSA-N 430.568 4.901 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705785117 WHEMHVJHXBHUPE-WIOPSUGQSA-N 438.616 4.937 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)C(C)(C)C1 1705794237 ACFZULSCPIMKGJ-QGZVFWFLSA-N 429.634 4.744 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCCO1 1705799737 FIACYOSKXYUAQH-OAQYLSRUSA-N 425.577 4.509 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCCC[C@H](COC)C1 1705913820 YWUDBYFHEGFIIF-QFIPXVFZSA-N 438.616 4.877 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(Cl)=C(Cl)C1 1705915795 WOFXBABQCILAGU-LJQANCHMSA-N 435.355 4.642 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCCC)C1 1705920760 DQXSMIPFYRFCDV-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE CCOC1CC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 1710578244 FQLNGALBRNXQNI-AJPWXKBRSA-N 447.505 4.801 30 10 IJEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1CC1CCC(C(F)(F)F)CC1 1711264202 HVBZPKZFAAHCJA-UHFFFAOYSA-N 434.510 4.782 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1ccco1)N(CC)CC 1722274821 ALYVUTKORWLGJG-FYYLOGMGSA-N 445.611 4.882 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1sc(C)nc1C 1722407864 SXMOKDWHKJXDNL-LJQANCHMSA-N 437.613 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1722586469 GOQFHDUNYOCDJA-QHCPKHFHSA-N 430.600 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722587388 MNTOBFKDOIMORD-NRFANRHFSA-N 437.632 4.545 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(F)(F)F 1722622613 LNHKIOOZVXLQFM-HNNXBMFYSA-N 431.503 4.705 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCCC[C@@H]2C)C1 1722716164 UAPQESHRPNSLCY-GOTSBHOMSA-N 437.632 4.689 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2nc(C)c(C)s2)C1 1722716907 ZHDLRIRGWCGFRJ-KRWDZBQOSA-N 444.004 4.696 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@H]1CCCCO1 1740540908 OAVMBJGZTQJMSF-PZJWPPBQSA-N 434.540 4.534 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)c2cccs2)CC1 1740582803 RQBFRUNQAZZCCH-UHFFFAOYSA-N 434.565 4.528 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C)s1 1740756346 PBPZQEVNEXHJCP-PXNSSMCTSA-N 444.004 4.981 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1740832392 DBECXPOCGAWPLW-MRXNPFEDSA-N 437.510 4.773 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)C2CCCCC2)CC1 1740836181 HWLWRAZELZOSRS-HSZRJFAPSA-N 429.996 4.727 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1740843270 CUPJSJHNWLVNEA-PZJWPPBQSA-N 441.595 4.834 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](C)C1)C1CC1 1740915498 JAOLSZZINNJYLH-ZSYWTGECSA-N 429.609 4.640 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1N(C)CCCC1(C)C 1740917991 DNRPPHRZIDCPAL-QHCPKHFHSA-N 432.616 4.597 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)nc1 1740918374 OWJBCVTWVFONLS-UHFFFAOYSA-N 430.600 4.713 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1(OC)CCCCC1 1740920258 KDLGKLSBJGCRDM-OAQYLSRUSA-N 428.552 4.811 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C 1740920747 VLFAUVYTWPSTCO-OFVILXPXSA-N 449.574 4.657 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](C)C1 1740997018 LNHQRAYWVOOUAB-ULQDDVLXSA-N 432.659 4.664 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@@H](C(C)C)C1 1748757825 LWLRIBRKEKYMKX-JOCHJYFZSA-N 445.007 4.526 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1ncc(C)s1 1748913480 WBVAYRVTKNGYPM-CQSZACIVSA-N 444.402 4.736 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CC1(CC)CCOCC1 1748917352 VUVALNSWKCNJTO-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749033053 YICAPCYKLHFQFC-SIKLNZKXSA-N 434.613 4.512 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NC(=O)C(C)C)CC1 1749393309 QYMGIJQRKZYFNN-UHFFFAOYSA-N 446.599 4.591 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1749402703 QVFNCFVGGTWAEM-GHTZIAJQSA-N 430.980 4.760 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1749420001 WQXQZPUXUJILCT-UHFFFAOYSA-N 443.382 4.940 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@](C)(O)C1CCCCC1 1749544546 JMKLGVWIDOAFNS-RUZDIDTESA-N 426.580 4.894 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOC2CCCCCC2)C1 1749714327 HOUQCSWJHCHBAR-QHCPKHFHSA-N 442.579 4.529 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1 1750243482 GDFIIJHGUWWBEY-MRXNPFEDSA-N 439.610 4.711 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCC1 1751379641 FNERORKGGVLCMB-MOPGFXCFSA-N 445.011 4.523 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1c(C)coc1C 1760103300 CIDYVEMOZVRNLD-OAHLLOKOSA-N 427.346 4.732 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CN2CCCCC2)C1 1760149597 OJGTZDXVZOCKSX-GOSISDBHSA-N 446.426 4.978 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCSCC1 1760274626 RATXYEINHQTHSA-UHFFFAOYSA-N 435.043 4.733 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1760286585 PANLUINAMIYWIR-LPHOPBHVSA-N 433.046 4.969 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)c1ccccn1 1760289550 QDHCVLXFMYLFND-NIYFSFCBSA-N 447.558 4.922 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCCOCCc1ccccc1 1760293537 WBQFSKVNVNVNCG-HHHXNRCGSA-N 443.595 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1oc(CCC)nc1C 1760338634 NVVJLSDDQKCYAI-UHFFFAOYSA-N 429.515 4.847 30 10 IJEE CCCCc1ccc(-n2cc(/C=N\NC(N)=S)c(-c3ccc4c(c3)CCCC4)n2)cc1 1857807073 SXCYHICOAHSAKU-YUMHPJSZSA-N 431.609 4.928 30 10 IJEE CCCCCCCCn1cc(O[C@@H](C)C(=O)Nc2ccccc2C)c(=O)cc1C(=O)O 1857890436 WPLRZTJGVSIRLX-SFHVURJKSA-N 428.529 4.621 30 10 IJEE Cc1cccc(Cn2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc([N+](=O)[O-])cc2)c1 1859414256 SCXVTVHRUBUOLD-UHFFFAOYSA-N 437.459 4.939 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 1861061865 VLVVSQBTHCUUQY-QHCPKHFHSA-N 426.557 4.652 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cccc3ccccc23)cc1 1862397742 RSBJEOWCXSDOEH-XMMPIXPASA-N 429.516 4.753 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc([N+](=O)[O-])cc1 1862460083 HNYAMYCRIHLPSO-LJQANCHMSA-N 448.397 4.781 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC)cc1 1862463992 ZDHBZKOAJFGLML-FQEVSTJZSA-N 432.442 4.548 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 1862474212 LFVQHKFPSORMKI-HSZRJFAPSA-N 431.463 4.791 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862501883 MZCMSXUGWLXXIA-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(Cl)c2)cc1 1862535516 DVKDAUFPLRTCHY-CTNGQTDRSA-N 425.912 4.660 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2Cl)cc1OC 1862569188 HEKJKAABDXNESA-FQEVSTJZSA-N 429.900 4.592 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CC)cc1OCC 1862603263 VYDRNLSUCUPTBN-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)cc1 1862605561 XNTBFNAESXYZNT-QHCPKHFHSA-N 435.520 4.925 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 1862735416 KELOLBPTSGPHRI-XWRIVVANSA-N 438.455 4.891 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(F)cc3F)C2=O)c1 1862801484 QBQPWBBMGXLDEX-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(C)ccc2C)C1=O 1863019628 IQCPBFSDTVWPMD-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CN(C)c1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863077749 ZEMPGHHQPLINFL-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3ccncc3)C2=O)cc1 1863284252 WIKFAUIFDKGZLM-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CC[C@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 1867049338 YRYDXKKMYUFOQA-DEOSSOPVSA-N 432.549 4.538 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)c1ccccc1 1868638113 YEHPSJYXWVZMQF-VWLOTQADSA-N 443.547 4.559 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCC(CO)CC2)nn1-c1cccc(Cl)c1 1869982305 VGLZAOKWQBWFBF-UHFFFAOYSA-N 448.011 4.819 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCC[C@H](C)C1 1870527814 JJWWMXLUIDWTDA-FCHUYYIVSA-N 447.664 4.734 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2ccc(C)c(C)c2)cc1=O 1870814005 PQFQCPGOWJOCQJ-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(Br)cc2)cc1=O 1871007171 PSNIZULUHITCBK-UHFFFAOYSA-N 437.337 4.592 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(Cl)cc1 1871015539 MGFSOLIEGPXKSD-UHFFFAOYSA-N 433.980 4.599 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871251776 WEKYKEXCAXYPTD-UHFFFAOYSA-N 437.927 4.519 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1ccc(N(C)C)cc1)C3=O 1871349322 UYXAQWLCCDVVTE-JLPGSUDCSA-N 449.595 4.561 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1Cl 1871453074 FJDIJMMQIDNQKI-NHDPSOOVSA-N 439.851 4.884 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)C1CC1 1872015870 HXRUWHSSPCIZHQ-JOCHJYFZSA-N 426.582 4.644 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872468042 SYRCSTZMBLJPDG-HSZRJFAPSA-N 428.598 4.706 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)c1 1874451514 BXBDANOIJLEOBB-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccco2)cc1 1874466118 SBUAUKDWOKAYOB-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC 1874602947 HGFUCTQRCVMYSC-LSSBLYJVSA-N 445.515 4.856 30 10 IJEE COC(=O)COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1Br 1874629732 QXALKTPGEGOQSC-FNORWQNLSA-N 433.298 4.522 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cnc(C)cn3)c2)cc1C 1874718425 ZDBNVMJOPYSYFK-SOFGYWHQSA-N 432.476 4.534 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1ccccc1C#N 1901533718 BHMOBTFQVUSGQG-DEOSSOPVSA-N 439.515 4.838 30 10 IJEE C#CCN(C[C@H](NCCC)c1cc(C)cc(Br)c1F)C(=O)OC(C)(C)C 1926710590 LGPVIILCTRRDIM-KRWDZBQOSA-N 427.358 4.808 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@@H]2NC(=O)OC(C)(C)C)c1 1943913991 XYXITSQAIUQUDX-FDDCHVKYSA-N 431.533 4.776 30 10 IJEE C[C@H](S)[C@H](C)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1946433519 XXAMXZPEYFPDEK-WDSKDSINSA-N 446.002 4.867 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@H]1OCc1ccccc1 1998813019 FADHTGAFCZUQPT-DHLKQENFSA-N 429.605 4.987 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@]1(C)COCCN1C(=O)OC(C)(C)C 2081189072 XVVDDPMKHLEXFB-CYFREDJKSA-N 445.560 4.655 30 10 IJEE Cc1sc([C@@H](C#N)C(=O)CSc2nccn2C)nc1-c1ccc(Br)cc1 2084270805 KCJSPWUCUMGCDF-AWEZNQCLSA-N 447.383 4.583 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)cc1 2101337526 OOLGXIHKHFVJAE-MRXNPFEDSA-N 442.365 4.777 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)ccc(Br)c1F 2102880075 KUVSIINQJOVEAK-CRAIPNDOSA-N 427.358 4.854 30 10 IJEE C=CCN(CC[C@H](NCCC)c1nc(CCC)[nH]c1Br)C(=O)OC(C)(C)C 2155522419 ZKGLVNWIRKRNSB-HNNXBMFYSA-N 443.430 4.979 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Nc2ncc(Br)cc2C#N)CC12CCCCC2 2162308048 CFMPTBLZCJLRNB-MRXNPFEDSA-N 435.366 4.840 30 10 IJEE COCCC1(Nc2ccc(Br)cc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2162309196 MTKKWITUJKJTTQ-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE C[C@@H]1C[C@@H](C)N(c2ccc(C#N)c(Br)c2F)C[C@H]1CNC(=O)OC(C)(C)C 2174769403 YLPRFDDEONMEGL-UMVBOHGHSA-N 440.357 4.835 30 10 IJEE CC(C)(C)OC(=O)NCC1(CC(=O)Nc2ccc(Br)c(C#N)c2)CCCC1 2180871681 HTBFWYKOFQAXMM-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ccccc2c1Br 2180955953 CSEOQSUSPPIMPN-KRWDZBQOSA-N 431.330 4.848 30 10 IJEE CCOc1cc(C#N)ccc1Oc1ncc(I)cc1Br 2189900390 JHMZEJWBTROCTO-UHFFFAOYSA-N 445.054 4.511 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(OC)c1Br 2207377820 KDFIOPYBPQNXTG-LPHOPBHVSA-N 439.394 4.805 30 10 IJEE O[C@@H](C#Cc1ccc(Cl)cc1)c1ccc(I)c(Br)c1 2231080741 VEQPTFQYFBBLHT-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@H]2Oc2cc(Br)cnc2C#N)C1 2233836255 JTHWYGLMDFIISF-FRFSOERESA-N 436.350 4.520 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CC1(CNC(=O)OC(C)(C)C)CCCC1 2235732255 YTHWYYDZZOUBDZ-SFHVURJKSA-N 435.406 4.864 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2235732366 RTGMVPMQTUFOPP-HKUYNNGSSA-N 435.406 4.816 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)cc1F 2243910288 GNMBTNAUUFBHHF-UHFFFAOYSA-N 443.478 4.953 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2247916241 SURHIJKDZIZVJE-UHFFFAOYSA-N 427.781 4.938 30 10 IJEE C=CCCC1([C@@H](N)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2266309357 DRUIZQJMYVLIQD-KRWDZBQOSA-N 425.367 4.661 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@H](N)C#Cc1cccc(Br)c1 2296224666 MPQGGYNOZOJTRP-RTBURBONSA-N 433.390 4.698 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(F)cc2)cc1 2296936210 GURUIONECLTQPU-IBGZPJMESA-N 438.480 4.534 30 10 IJEE COC(=O)c1ccc(C=CC(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 2314429880 QVOBTQAZKACMSU-UHFFFAOYSA-N 446.455 4.606 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc(Cl)c1 2314477530 IPXHYCKZZOGGHL-HSZRJFAPSA-N 438.955 4.660 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(F)cc1)O3)CN(Cc1ccc3c(c1)OCO3)CO2 2322099137 KBYHUVIBDGSHPT-UHFFFAOYSA-N 445.446 4.831 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(F)cc2F)cc(Cl)cc1OC 2322502027 UUXQEQJQQKUVJM-UHFFFAOYSA-N 437.870 4.770 30 10 IJEE COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1OCC(=O)Nc1ccc(C)cc1 2322703676 FQHWYKFROLVHBX-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE O=C(CCCOc1ccccc1)Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2323177781 PRYCJZRSNDPYRU-UHFFFAOYSA-N 445.427 4.976 30 10 IJEE CCCN(CCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(OC)cc1OC)C2=O 2324097301 UORPHLWVVDTAJQ-UHFFFAOYSA-N 425.525 4.956 30 10 IJEE CCN1CCN(Cc2c(O)cc(C)c3c2OC(=Cc2c(Cl)cccc2Cl)C3=O)CC1 2324124839 XPBKGOYOXHEQHS-UHFFFAOYSA-N 447.362 4.761 30 10 IJEE Cc1cc(O)c(CN2CCC(CO)CC2)c2c1C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2324178612 IJJXIPSPDWILER-UHFFFAOYSA-N 435.564 4.819 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccccc3)c2)c(OC)c1OC 2325786740 GJDSWTBWKJWGBU-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCOc1c(C=Nn2c(COc3ccc(Cl)c(C)c3)nnc2SC)cccc1OC 2326492390 ZPCNHOYCYIAPGD-UHFFFAOYSA-N 446.960 4.830 30 10 IJEE CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(N(CC)CC)cc1 2327450119 VTTZNVCANSVANI-UHFFFAOYSA-N 445.539 4.976 30 10 IJEE CC(C)(C)c1ccc(C=Nn2c(CCc3ccccc3Cl)nnc2SCCO)cc1 2327997814 JKRUDISCRCCRSB-UHFFFAOYSA-N 443.016 4.981 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc[nH]1 2328243726 AMQGCWNCMPVIOJ-UHFFFAOYSA-N 437.500 4.507 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1OC(C)C 2328507709 YAHLZHVAHWYNBT-UHFFFAOYSA-N 439.541 4.949 30 10 IJEE OCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)c(Cl)c1 2329617968 LOVDPMYDIBBVJU-UHFFFAOYSA-N 427.744 4.872 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1Cl 2331362644 JLDVEQJIBOMFNQ-UHFFFAOYSA-N 427.961 4.842 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)C=Cc1cccc(Cl)c1 2332187092 AQBGDRVUHIBECA-UHFFFAOYSA-N 442.704 4.515 30 10 IJEE CC(C)(C)OC(=O)N1CC=C[C@]1(C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339602344 IVWVTITWGHGHET-SWDTZWKESA-N 442.365 4.671 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CN(c3ccc(C#N)c(Br)c3F)C[C@@H]2C1 2358257507 PJBFXSAKLIYCLM-ILXRZTDVSA-N 438.341 4.589 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2358671312 HPPZYMUMOQNOKU-BJLQDIEVSA-N 435.406 4.862 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)n1 2362153019 IPMRVKFYDUKMAH-CWAQXLGLSA-N 447.432 4.687 30 10 IJEE CC(C)C1(C#N)CCN(Cc2ccc(I)c(Br)c2)CC1 2377287593 STGLUKKWUHMJDC-UHFFFAOYSA-N 447.158 4.815 30 10 IJEE COc1cc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1OC 1459776 RFNSPDUDCSFEFG-QFIPXVFZSA-N 445.515 4.650 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(OC)cc2)Nc2ccc(C)cc2C)c1C 32973228 CMJXBEFZDGBGFX-UHFFFAOYSA-N 447.583 4.586 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)c1 33378906 NXEQGEKTQCXLEW-QFIPXVFZSA-N 429.428 4.813 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)Nc1cccc(C(F)(F)F)c1 33544723 HHNXKOJKRQSNBM-ODLFYWEKSA-N 429.350 4.932 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4ccccc4)CC3)C2=O)c1 41585154 OIOJFWXOASDWDD-UQQQWYQISA-N 426.516 4.639 30 10 IJEE Cc1ccc(C(=O)/N=C(/NC(=O)c2ccc(C)cc2)Nc2nc(C)c3ccccc3n2)cc1 58899722 NSIXQNZIPBVTGM-UHFFFAOYSA-N 437.503 4.593 30 10 IJEE Brc1cccc(CSc2n[nH]c(N/N=C/c3c[nH]c4ccccc34)n2)c1 59006318 LYRFFAGAPHQYPP-UFFVCSGVSA-N 427.331 4.787 30 10 IJEE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)o1 59106014 GPFFCZNZWUUXQJ-ODLFYWEKSA-N 439.424 4.894 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2OC)c(C)c1 169940454 GOCHOPDTKYSTEQ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccccc1O 169942639 VTGVEPWHCZQLRG-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccc(O)cc2)c(C)c1 169962374 SILMKPDQYUFGDQ-HSZRJFAPSA-N 445.471 4.506 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccnc2)c1 170000823 AUKXCYCUGZMOLN-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccnc2)c1 170012536 LBDGYKVPMISZIM-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccco2)c1 170038636 KYKHRJJBLMPCDT-QHCPKHFHSA-N 442.471 4.938 30 10 IJEE O=C(O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1 170051199 TYPWWPHJVKKEPB-NRFANRHFSA-N 447.874 4.817 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)ccc1F 170059445 LDMSCJWBRFKUSC-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(O)c2)c(C)c1 170082905 WOGSJIHGDPVSQM-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(O)cc1 170132662 JVXFYVSOZVTBTA-QFIPXVFZSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)c(C)c1 170132963 RIICHKFYHRUOAU-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(OC(C)C)cc1 170152564 HRSDBCUEKSJHCJ-NRFANRHFSA-N 427.472 4.610 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccs1 170163419 GZBAUSCLAKQDBA-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE CCCOC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccc(C)c(C)c4)cs3)=C2N)c1 170180302 RLMHVNUSDRHOAF-UHFFFAOYSA-N 447.560 4.710 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2cccnc2)c1 170189941 KPCGJSVLLRPJFB-QHCPKHFHSA-N 444.487 4.666 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)c1 170191215 NVPHHZCRVLJWFK-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(O)c(Cl)c1 170220078 LKTOXOXNKQTVMR-GOSISDBHSA-N 436.291 4.696 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1C 170234382 GOVMFTLXUUINGI-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170266274 DTYPOCFOYRROGH-QHCPKHFHSA-N 447.487 4.638 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(C)o1 170299189 QYYMBECXPLPSJD-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(O)c1 170322025 NRHQEOZPOUVIGO-HSZRJFAPSA-N 431.488 4.932 30 10 IJEE CC(C)OC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]2c2cccs2)cc1 170476326 ZBKAJEFQRHEONR-FQEVSTJZSA-N 441.549 4.757 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C3CCCc4ccccc43)N=C2O)cc1 254309631 BETYBEKMGUUOLX-FQEVSTJZSA-N 436.537 4.582 30 10 IJEE C=C(COC(C)C)[C@H](NCC)c1cc(I)ccc1Br 387571293 JHUCIEPQAAOPSC-HNNXBMFYSA-N 438.147 4.686 30 10 IJEE C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469754267 XQDNLOYNXBVQGW-BLLLJJGKSA-N 425.369 4.605 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NCc1nc2cc(Br)ccc2n1CC 479151498 DWBNEMHOXGCORT-UHFFFAOYSA-N 433.375 4.778 30 10 IJEE Cc1cc(C)nc(-n2nc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2C)n1 482246689 QPBGIXQYTADDLD-UHFFFAOYSA-N 442.454 4.643 30 10 IJEE CSc1nc(O)c(C(=O)N[C@@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)cc1C#N 524046955 SAYNXQZNLQOQNP-KRWDZBQOSA-N 447.560 4.629 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526802596 ICUZKRMHVIMTKW-CFRMEGHHSA-N 428.533 4.950 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 549640123 XQYDQHOSLAGMRE-FQEVSTJZSA-N 436.604 4.858 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 578620475 WRXRSWOJIAQOPN-IBGZPJMESA-N 434.540 4.541 30 10 IJEE C=CCCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586214265 ZAZHYCHRXXLANL-UHFFFAOYSA-N 429.460 4.982 30 10 IJEE C=CCn1c(SCC(=O)NCCCC2CC2)nnc1-c1ccc(Cl)cc1Cl 605483154 YJNZZFWMNDEKPK-UHFFFAOYSA-N 425.385 4.836 30 10 IJEE C=CCCCCCCNC(=O)c1ccc(I)c(Br)c1 721341568 FWJKXAOJGSFHPZ-UHFFFAOYSA-N 436.131 4.920 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1csc(Br)c1 731071143 PRKFNELHPCNSAG-LLVKDONJSA-N 439.356 4.558 30 10 IJEE CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2oc3ccccc3c2C)C1=O 734295323 DTSDQEVMDVLIOX-UNJCWQMKSA-N 441.578 4.500 30 10 IJEE Cc1sc2nc(CS[C@@H](C)C(=O)OCC#Cc3ccc(Cl)cc3)nc(O)c2c1C 749196832 XBSNBOFPMPSFMJ-AWEZNQCLSA-N 446.981 4.884 30 10 IJEE CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 750627363 GDRMTEKUPZPTNA-UHFFFAOYSA-N 448.548 4.709 30 10 IJEE C#CCN(C(=O)Nc1cc(OC)ccc1F)[C@H]1CCOc2ccc(Br)cc21 755836195 NULXYKCSVBDAJK-SFHVURJKSA-N 433.277 4.588 30 10 IJEE Cc1nnc(SCc2ccccc2)n1N=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 1084468260 BEQZJQFGKPWOBJ-UHFFFAOYSA-N 436.541 4.660 30 10 IJEE C=CCN(C(=O)c1cccc2cc(O)ncc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124413227 DNEUNFWENDRPKQ-UHFFFAOYSA-N 432.461 4.805 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)cc1C#N 1129202599 GKVUMBBAWPYKBB-UHFFFAOYSA-N 439.313 4.936 30 10 IJEE C=C(CC)CNC(=O)[C@H](CCSC)NC(=O)OCC1c2ccccc2-c2ccccc21 1129713577 CMUGNYAJVPHRDE-QHCPKHFHSA-N 438.593 4.729 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(Cl)cc1F 1129735055 GEDUATPFBDPIOS-OAQYLSRUSA-N 438.886 4.512 30 10 IJEE C#CCCCCCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1130801200 HYLZWINYFYOCOB-GOTSBHOMSA-N 442.600 4.878 30 10 IJEE C=CCCC1(CNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CCCC1 1131111392 IUSAUVNQGJMSBM-NRFANRHFSA-N 425.573 4.606 30 10 IJEE C=CC[C@H](NC(=O)c1sc(-c2ccc(C)c(C(F)(F)F)c2)nc1C)C(=O)OCC 1138147623 QEIAAFAKJINTMD-HNNXBMFYSA-N 426.460 4.683 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 1141446001 ZBPFHEQGLSJDJB-IBGZPJMESA-N 435.528 4.609 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)C(C)C 1144197067 CSQOYKVMWWIVTA-DQEYMECFSA-N 432.564 4.569 30 10 IJEE C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1161476079 GTRHDKCARRRAFW-VLIAUNLRSA-N 425.326 4.723 30 10 IJEE COc1ccc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1Br 1166836661 BEZXKWJEDANWPU-BIWSTMPVSA-N 425.392 4.869 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc(F)c(Br)c1F)c1ccc(F)c(F)c1 1211575761 KOGBIRDTCLKYHR-INIZCTEOSA-N 438.240 4.601 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(Cl)cc(C)cc1Br)c1ccc(Cl)cc1 1212074895 KSSODPQWGSHYJR-OAHLLOKOSA-N 433.154 4.717 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)cc(OC)c1OC 1221552258 KQYFKSLFEXJZHT-PKTZIBPZSA-N 438.568 4.615 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 1224913514 DOUGJZAUUKRHIH-WBVHZDCISA-N 426.342 4.610 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286333341 DSYISAXLHOAGQA-OAQYLSRUSA-N 443.636 4.508 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCc2ccccc2C1 1286340106 WJJILFBYKXSDLN-UHFFFAOYSA-N 427.371 4.745 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCC1CCC(OC)CC1 1286415429 CBYKKAASYIJKIS-UHFFFAOYSA-N 436.625 4.547 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286498309 DYYDRCQWZMDUHE-AVRDEDQJSA-N 438.641 4.613 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(Cc1cccc(F)c1)C(C)C 1286543918 CKPJTXATCTVBOW-UHFFFAOYSA-N 444.352 4.727 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nc(C(F)(F)F)cs2)CC1 1286643709 RVHAYWWODWAFAF-UHFFFAOYSA-N 444.486 4.691 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(C)(C)C)CC1 1286664297 VXUABOVIMYDOSS-UHFFFAOYSA-N 437.636 4.681 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2coc(-c3ccc(C)cc3)n2)C1 1286807672 QUVOPNXSOQGTIK-QFIPXVFZSA-N 449.599 4.854 30 10 IJEE CC(C)SCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1288419211 HNEHDVPZPLCQAL-KRWDZBQOSA-N 431.581 4.829 30 10 IJEE COc1ncc(NC(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)cc1C#N 1289070694 CGONVUYOMIKGMA-UHFFFAOYSA-N 437.503 4.743 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CCN(C)C(C)C 1289274986 FNPUUHPJTDZOSA-LPHOPBHVSA-N 447.027 4.624 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1300349715 YDYYQHCRSYOXKR-NRFANRHFSA-N 443.555 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(COC)CCCCC1 1300557787 XQCCUJWRSAARBM-UHFFFAOYSA-N 444.623 4.808 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCC(=O)NC1CCCCC1 1300900299 BYNQHVWTUGMHLB-UHFFFAOYSA-N 449.643 4.990 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCC[C@H](C)C1 1300924603 DWBKCCJQQVPONC-DXBBTUNJSA-N 431.669 4.720 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCCCC2)C1 1300989902 HEVIWETVUGIWER-UHFFFAOYSA-N 430.543 4.900 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OCCC)CC1 1301113838 HYCOQYWNJQTINU-UHFFFAOYSA-N 438.963 4.628 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301203601 XKTWKKIGXIDKCJ-IAGOWNOFSA-N 432.410 4.593 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn2ccc(C)cc2n1 1301372766 OLCAJJLFGVNSOM-IBGZPJMESA-N 446.530 4.740 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CCC(C)(C)C)CC1 1301604424 SJKLUTQFFSXZKJ-UHFFFAOYSA-N 427.662 4.731 30 10 IJEE N#CC1CCN(c2nnc(COc3ccccc3F)n2CC2CCC(F)(F)CC2)CC1 1303001519 CCWROKNIYWWLAW-UHFFFAOYSA-N 433.478 4.562 30 10 IJEE C#CCC1(O)CCN(C(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)CC1 1303026087 IWJCAMWXQGBFLJ-UHFFFAOYSA-N 437.458 4.986 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 1311377106 ZWEIPRRXQNVQPT-VWLOTQADSA-N 426.564 4.631 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc2c(cnn2C)c1)c1ccc(C)c(C)c1 1352125385 PGRUINHIYDEERK-UHFFFAOYSA-N 426.520 4.997 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)ccc(Br)c2OC)cc1 1355843015 SYIXELLWUKCTFP-UHFFFAOYSA-N 443.341 4.833 30 10 IJEE C=CC[C@]1(C(=O)N(C)CCCOc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1356285151 LVLBYQPQXRYSRY-HSZRJFAPSA-N 436.980 4.913 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)cc(OC)c1OC 1358049662 XNDXDTBSVQVZPO-WMZHIEFXSA-N 444.369 4.789 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCOC2)C1 1358916507 NPBZGTFDUVIKCH-QFIPXVFZSA-N 449.382 4.584 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCSC(C)(C)C1 1358923268 IKXVCZCYDKCATP-UHFFFAOYSA-N 433.419 4.761 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1359050459 QSWCOXHFQJXFEE-QGZVFWFLSA-N 447.446 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(OCCC(C)C)CC1 1359096596 DUXRKOJWIJYADN-GGAORHGYSA-N 430.637 4.948 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1359118244 XHXVORIOSCOIJI-AWEZNQCLSA-N 430.350 4.818 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2scnc2C)CC1 1359181328 OLVFEUDVYVTMNN-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1359184842 CCYOTWKMTHCHKC-IBGZPJMESA-N 443.039 4.908 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccc2c(c1)OCO2 1359221925 RZQMYXCOVSSLKM-DENIHFKCSA-N 440.588 4.918 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1359260995 UBBAZFLATCEGNT-UHFFFAOYSA-N 445.583 4.723 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H]1C 1359262315 PCHRROFRNBKINS-IBGZPJMESA-N 432.597 4.555 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC[C@H]2CCO[C@H](C)C2)c1C 1360865646 GCDXRZAVVBFFGQ-CZAYHTPWSA-N 439.604 4.979 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1OC 1448508428 VQFIUHPCCOKDKI-YNEJIKTKSA-N 435.568 4.718 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2sc(-c3ccccc3F)nc2C)ccc1OC 1456290602 HPSNZHUXRWOLGT-INIZCTEOSA-N 439.512 4.877 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1456308417 QAEWILSEDXCWSO-OAQYLSRUSA-N 425.400 4.962 30 10 IJEE C=CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccccc1 1456658439 XNDWOGFZXFQZMV-HSZRJFAPSA-N 426.582 4.938 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NCc3cccc(OCc4ccccc4F)c3)C2=O)cc1 1461429430 GZDNQINBNSHFPK-RUZDIDTESA-N 429.495 4.562 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c(Cl)c1 1463159655 GKJYBMHDNUFOFY-UHFFFAOYSA-N 434.879 4.600 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1466498209 AQBCMNQIHWYVCF-ZWKOTPCHSA-N 434.540 4.772 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(OC(F)F)cn1 1466659575 IEBYLXCXBNSQRL-UHFFFAOYSA-N 430.224 4.805 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 1466817235 XAEMOWCWSXJIRU-DGCLKSJQSA-N 437.256 4.588 30 10 IJEE CCCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H](C)c1cc2ccccc2o1 1469762170 DXZLWPWROTXCGO-XMSQKQJNSA-N 444.535 4.983 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1470011744 VMXPRFKTVASRLD-MHECFPHRSA-N 448.007 4.628 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC)c1ccccc1 1475627455 QDDBEXARYWQBEC-GOSISDBHSA-N 436.961 4.683 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)cc1 1475974514 YIQUZCJXGTVOMO-GMAHTHKFSA-N 441.597 4.574 30 10 IJEE CCOC(=O)c1c(NC(=O)NCC2(c3ccc(F)cc3)CCCCC2)c(C#N)cn1CC 1476760246 AXVSLBBEZRPMGS-UHFFFAOYSA-N 440.519 4.719 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(CC)CC)cc1 1507547720 PQYLTCXHIMIZHJ-UEVCKROQSA-N 437.632 4.549 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ncc(Cl)n1C 1507575784 HEZGCBUWSVDMTJ-HNNXBMFYSA-N 443.020 4.568 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCN(CCC)C1 1507607993 DLRJBYWKHILBIP-GOSISDBHSA-N 437.588 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC1(c2ccccn2)CCC1 1507661972 NEXVPIPVODIFLP-UHFFFAOYSA-N 429.955 4.578 30 10 IJEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507673177 OIGUDDHHQRSQAN-PMACEKPBSA-N 444.501 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507673465 VYNDNKNJEVLNRA-PMACEKPBSA-N 444.501 4.922 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)CN1CCCCC1 1507679218 ISJWHBFIICTKQM-REWPJTCUSA-N 437.632 4.616 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)c1cccs1 1507711827 ISBIKSDKSCARML-UHFFFAOYSA-N 443.016 4.648 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CC(F)C1 1507780912 YBCZSGKAZOKSNL-UHFFFAOYSA-N 431.712 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1cc(Cl)c2c(c1)OCCO2 1507825909 BJFLUEMCQQVOBQ-UHFFFAOYSA-N 444.988 4.806 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccc(F)cc1 1507838605 UQMZQEBDLLRUAR-UHFFFAOYSA-N 429.927 4.752 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2CCCC[C@@H]2C1 1507858469 MLNIUCJHHMBROL-OAHLLOKOSA-N 426.779 4.679 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(C)ccc2OC(F)F)CC1 1507901799 QGLWAPBMTFFVSE-UHFFFAOYSA-N 439.510 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1507918359 BIXRESBQAFWNOR-UHFFFAOYSA-N 446.979 4.502 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@@H]1C 1507952448 UINIVXWGHOKHRR-HNNXBMFYSA-N 437.407 4.528 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@](C)(O)c1cccc(Cl)c1 1508035037 ZXJZCERCUKLOJR-DEOSSOPVSA-N 440.975 4.935 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC=C(C)C)C1 1508118328 RMLGIRXWNQSWAO-LJQANCHMSA-N 431.378 4.845 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cnc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1517143843 DHQWXMHZACNUCG-SFHVURJKSA-N 444.757 4.782 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(COc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1520883625 UXBVKPHLHUILNN-AREMUKBSSA-N 434.536 4.997 30 10 IJEE C=CCCCCCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1522833300 NCRVCAZKGKFPBF-SFHVURJKSA-N 435.406 4.815 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)s1 1525360113 VRGAWEJXZXRTTO-UHFFFAOYSA-N 449.888 4.987 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCN(Cc3ccccc3)C2)cc1 1527664917 AZYBTWKKNSTTRK-QHCPKHFHSA-N 425.532 4.792 30 10 IJEE C=CCN(C(=O)c1ccc(C)c(Br)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1529015158 SVXUSBMTBNZUTL-FQEVSTJZSA-N 430.342 4.560 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nccc(C(F)(F)F)n2)c1 1529074066 FMJZWNQDVTXINA-UHFFFAOYSA-N 432.789 4.743 30 10 IJEE N#Cc1cccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1Br 1529427324 CHTQCHMQXYIUSZ-GOSISDBHSA-N 448.729 4.542 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)cc2Cl)c1 1529715473 AQWIKCUCKFNBIZ-IBGZPJMESA-N 431.879 4.855 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)cc1 1532955468 XWYHYKHKSALNHH-UHFFFAOYSA-N 432.167 4.751 30 10 IJEE CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2C#N)cc1 1534181021 DKQUYUGVYWWLJW-UHFFFAOYSA-N 428.330 4.835 30 10 IJEE C#CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2 1536686457 HNMSTWGFLUDUOI-FOCLMDBBSA-N 434.898 4.894 30 10 IJEE CCc1c(C)sc(NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)c1C#N 1536889160 DWFYWZOWPUBVNF-QHCPKHFHSA-N 433.577 4.966 30 10 IJEE C/C(=C/C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1cccc(C(F)(F)F)c1 1537737519 QXSGJDFTZSGYFJ-QINSGFPZSA-N 429.442 4.882 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1539109275 NCWNOEGXUJYFHO-UPVQGACJSA-N 436.600 4.789 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCSC(F)(F)F 1539279062 SAVKCOHCUZKELG-UHFFFAOYSA-N 444.935 4.550 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C)[C@@H](C)C1 1539607230 APNSKLDVPWOFGW-RDJZCZTQSA-N 433.394 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)C[C@H](C)CC 1539647876 YYLLFVDTBMBYLL-ZHRMCQFGSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC=CCO1 1539656306 VBGPOEGBQGPHET-SFHVURJKSA-N 431.378 4.764 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[C@H]2CCCCO2)CC1 1539840155 LPNNUTHCCDXOQT-OAQYLSRUSA-N 440.588 4.857 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1539882371 JIHZQXLZOMWXTQ-FNZWTVRRSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1539929021 LNXWNBYHMWQCSW-LJQANCHMSA-N 426.561 4.530 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1539974995 YNDIEBOKPLZKGR-CRAIPNDOSA-N 442.457 4.509 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C(C)C)CC1)C1CC1 1540107022 GXYZBDHIEZWWBH-LJQANCHMSA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCO[C@H]1CCCC[C@H]1C 1540120756 GMQFMIJWHOWIBJ-YKSBVNFPSA-N 444.583 4.933 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2c3ccc(Cl)cc3C[C@@H]2C)nnc1-c1ccco1 1540143560 VCKBUQSNHOWMSA-AWEZNQCLSA-N 428.945 4.838 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N1CCC(C)CC1 1540147119 NVNSPZRYTPGIOH-RTWAWAEBSA-N 443.661 4.547 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CCC(=O)NC1CCCCC1 1540177130 LWMFUBYLHZMNSG-UHFFFAOYSA-N 437.632 4.650 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 1542502989 BTAHBEPWPDJKNE-KKSFZXQISA-N 444.551 4.747 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Br)cc2OC)CCCN1C(=O)OC(C)(C)C 1543292705 GWPATGXKEHJHDI-FQEVSTJZSA-N 439.350 4.742 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)N1CCCC1 1543898914 DWIIPWMAJPNERH-FGCOXFRFSA-N 434.632 4.952 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)c1 1544872323 HJJHUAVKCKRVLI-UHFFFAOYSA-N 442.556 4.644 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC 1556111294 SNHHZSPTSKJYEB-GOSISDBHSA-N 441.576 4.716 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 1556564011 AUIYTBCONZBPKU-QFIPXVFZSA-N 445.007 4.867 30 10 IJEE C=CCN(Cc1cc(OC)ccc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1559752448 YBFVNCZZLRDQBP-NRFANRHFSA-N 432.358 4.620 30 10 IJEE COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)Cc1ccccc1C(C)(C)C#N 1559853526 CWXGEWFKHFAQIR-HXUWFJFHSA-N 445.357 4.605 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 1562677490 ZIFCKEPWMIVYHV-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 1564734183 GKKHJNOIQRXAAI-UHFFFAOYSA-N 441.575 4.868 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1583036713 HJFNYIIZXKMHCW-HSZRJFAPSA-N 426.582 4.689 30 10 IJEE C=CCOc1ccc(COC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 1584601528 DATPTQQGESUZJX-XMMPIXPASA-N 429.472 4.551 30 10 IJEE C=CC(C)(C)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 1587318459 DSMVZBWPPSCQGS-VWNXMTODSA-N 436.552 4.517 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC2(CCN(Cc3ccccc3)C2)CC1 1587862668 ZCJAYQRAVGNJOR-UHFFFAOYSA-N 433.644 4.773 30 10 IJEE C=C(CC(C)C)C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1588118512 IAHWDUOYJRHHHV-XNTDXEJSSA-N 427.353 4.748 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(O)CCCCC1 1588272238 WNKRHOJVTBLMAY-UHFFFAOYSA-N 431.584 4.507 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(C)CCCS1 1588451619 BRIUXBNAHVKQTD-FQEVSTJZSA-N 439.412 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C(C)C 1589208218 XYARPBCWXFXXBB-XZWCOCNFSA-N 441.620 4.602 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1589381284 AEHNSSWSJLRXOW-HZPDHXFCSA-N 441.377 4.522 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(C)(C)C 1589381547 FMOJHKMKRKJTDN-UHFFFAOYSA-N 430.350 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1oc2ccccc2c1C 1589599710 KANMULJFSDWLAC-RUZDIDTESA-N 438.572 4.824 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1593894716 DYYNDYWAPWUPIE-VQIMIIECSA-N 441.790 4.650 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCCC1 1594857635 NFFPOJYWFLFTRD-OAQYLSRUSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1cc(C)oc1C 1594857809 QOHWPHAXMQHREP-CJFMBICVSA-N 438.572 4.775 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1ccsc1)N(C)C 1594885403 GHJQJLXZFWIPMU-JOCHJYFZSA-N 432.597 4.788 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC[C@H]1CCO[C@H](C)C1 1595070747 LAERBORIWGFDHU-UXHICEINSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@H](c1cccs1)N1CCCC1 1595161890 OSIMFKQUQMGWNK-LJQANCHMSA-N 427.643 4.993 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 1598090306 OFYYJZGTWZISAP-AWEZNQCLSA-N 431.414 4.854 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCSC1 1611734513 HRMFSULBSYPWID-HKUYNNGSSA-N 443.592 4.830 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)cc2F)nc2sc3c(c2c1=O)CCCC3 1613283983 PXDWUXOWWIYJFV-UHFFFAOYSA-N 444.553 4.741 30 10 IJEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)C1 1615424845 BKMBFGHLOOTLRK-JOCHJYFZSA-N 434.632 4.811 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc2oc(O)nc2n1)c1ccc(C)c(C)c1 1616627324 KNRKFMUOLCGMIE-UHFFFAOYSA-N 429.476 4.957 30 10 IJEE CS[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1620213518 APXKVAUHWVROTJ-XLIONFOSSA-N 429.634 4.848 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 1620645021 HOLUMGKLWKKEBW-XMMPIXPASA-N 434.561 4.854 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)s2)c(OC)c1 1624003954 AAVSGBWGJQNOCO-UHFFFAOYSA-N 449.454 4.979 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc(Oc2ccc(Cl)cn2)c1 1624706171 IEFOAKONRRROEC-UHFFFAOYSA-N 430.855 4.540 30 10 IJEE C=C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)c1ccccc1 1626406063 TYDDTRBHFMMYCX-SFHVURJKSA-N 427.342 4.596 30 10 IJEE Cc1ccccc1Oc1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nc1 1626676569 CCXHOGHKNIJBKG-HSZRJFAPSA-N 446.938 4.858 30 10 IJEE C=CCC[C@H](NC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1)C(=O)OCC 1627752914 VMNAKIKKNAIFPT-IBGZPJMESA-N 428.554 4.752 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 1629139259 GTHBLUYOXMNJCV-ADKRDUOOSA-N 443.009 4.708 30 10 IJEE C=C[C@@](C)(O)CC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1629814916 LKYZDUQIQBUVDD-AZUAARDMSA-N 440.740 4.969 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)no1)C(C)C 1632734442 IWCIFDRDIVBGRU-LJQANCHMSA-N 432.362 4.533 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1)C1CCN(C)CC1 1632901280 JFCSACXVNZNZKN-HNNXBMFYSA-N 431.005 4.572 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 1636562435 KXOFBFFGHORAII-AQNXPRMDSA-N 447.760 4.996 30 10 IJEE C#C[C@@](C)(CC)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1636941291 OVLYSWRIEVOHJU-QHCPKHFHSA-N 436.353 4.762 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1 1639478472 LRDQTMYWKBEYKK-OKZBNKHCSA-N 447.000 4.838 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)Nc3ccccc3Oc3ccccc3)c2c1 1641246274 BFIULIPZIBRUJC-UHFFFAOYSA-N 425.444 4.925 30 10 IJEE C=CCN(Cc1ccccc1F)[C@H](C(=O)OCC)c1nc(Br)sc1C 1641568827 HERFZZBTJOOLKU-INIZCTEOSA-N 427.339 4.646 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCC[C@H]3c3ccc(Br)c(F)c3)C2=O)cc1 1642905530 BNGJZGWDTJUSBY-SFTDATJTSA-N 442.332 4.792 30 10 IJEE C#Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c(Cl)c1 1645997882 RQPBMEXSFHLYGB-JOCHJYFZSA-N 433.895 4.852 30 10 IJEE C=C(C)COc1cc(CNc2nn(CC(F)(F)F)cc2Br)ccc1OC 1651499985 WYLWNOBPGRISAR-UHFFFAOYSA-N 434.256 4.784 30 10 IJEE C=CCn1c(SCc2ccc(OC)c([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3 1652458701 PVDQUFGVLKPDMM-UHFFFAOYSA-N 443.550 4.732 30 10 IJEE Cc1ccccc1COc1c(C)cc(CN(C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1C 1657343667 CRIKVOYAYVIVTC-VWLOTQADSA-N 427.548 4.721 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)Cc2ccc(F)cc2)c1 1659248529 JALKEMWMEYVBDC-UHFFFAOYSA-N 426.465 4.530 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 1661737302 CWVAQZYDEDNIBX-NRFANRHFSA-N 439.581 4.702 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c3ncccc23)c1 1661951673 NRTDKWXFBMCCBU-UHFFFAOYSA-N 428.513 4.620 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)CC2CC3(CCC3)C2)c1 1666095721 VNPXTCOUIVFTNS-UHFFFAOYSA-N 426.534 4.771 30 10 IJEE C#C[C@H]1CCCCN1S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 1666622491 OAGGHRNILIYJQS-HNNXBMFYSA-N 438.318 4.557 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)NCCN(CC)CC)c1 1669491127 VBMTXCLJQQQSFB-LAUBAEHRSA-N 435.012 4.668 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(Br)cc1OC)c1ccc(F)c(F)c1 1671851983 NXHJTKZJQYLSRN-SFHVURJKSA-N 425.273 4.853 30 10 IJEE Cc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1S(C)(=O)=O 1672324673 ASJVWJZRRLSUIY-KRWDZBQOSA-N 433.533 4.820 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)C1 1672894052 CAAYVJGHJMVISI-OKZBNKHCSA-N 429.561 4.537 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 1673577726 KIAWWCGBHBQXQB-ICSRJNTNSA-N 426.866 4.577 30 10 IJEE C#CCOc1ccc(NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C(C)C)cc1 1674518603 FFRHUGFKJFSLMH-QFIPXVFZSA-N 432.520 4.534 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccc(F)c(F)c1 1674918773 JYANUZJGVXSTKL-LJQANCHMSA-N 444.873 4.910 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1677251015 ULXKLSRXOLNJIB-NRFANRHFSA-N 445.991 4.835 30 10 IJEE C#C[C@@H](NC(=O)NCc1sc(C)cc1Br)c1ccc(Br)cc1 1683511775 BJYIYXKTRSVJDY-CQSZACIVSA-N 442.176 4.755 30 10 IJEE C#C[C@@H](NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C)c1ccc(Br)cc1 1686919332 DMHYZTLKYWOBGJ-MOPGFXCFSA-N 429.362 4.790 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(OC)CCCC1 1689830691 BSPHCPIMCPEVSW-IBGZPJMESA-N 431.584 4.770 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](CC)C1 1689881314 NBNREMRWJCGGJO-HXUWFJFHSA-N 434.540 4.536 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1cccs1)N1CCCC1 1690062309 KMGBZRPWJGYMTG-HXUWFJFHSA-N 440.016 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCc1cc(C(F)(F)F)ccn1 1690209045 HYWPYLAUZGHGHE-JOCHJYFZSA-N 431.506 4.659 30 10 IJEE C=C(Br)Cn1c(C2CC2)nnc1N(C)Cc1ccc(Br)s1 1690226588 DWMMIVCSTSIUBA-UHFFFAOYSA-N 432.185 4.525 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCC(F)(F)F 1690250401 GZEKRDCUGUWGJK-RXVVDRJESA-N 447.505 4.651 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 1690358467 BCJYJYBZECMIHA-ROUUACIJSA-N 436.000 4.895 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2sccc2Br)CC1 1690372605 SBPPYPFWNMCVDA-UHFFFAOYSA-N 430.375 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690422028 ATMOKCVANJKSMM-QGZVFWFLSA-N 447.986 4.835 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1690500222 OQHKRMUSMCRMJG-CALCHBBNSA-N 449.368 4.532 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)c1ccsc1)C1CC1 1690538444 IPJJRGWMXWRNKR-QFIPXVFZSA-N 446.523 4.671 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1CCc1cc(C(F)(F)F)ccn1 1690589793 AZKVKXXBMZOKAH-UHFFFAOYSA-N 443.473 4.789 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N(C)Cc1cc(C)cs1 1690682396 NMZROOITPONRPZ-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCOc1ccccc1Cn1c(N(C)Cc2cc(Cl)ccn2)nnc1C(C)(C)C 1690685054 USURKKSMECWHLC-UHFFFAOYSA-N 425.964 4.874 30 10 IJEE Cc1ccc(SCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1693162867 CFLWEANWYFLODR-REWPJTCUSA-N 425.602 4.751 30 10 IJEE CCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1coc(-c2cccs2)n1 1695309055 GQASRPFEKFKBJI-UHFFFAOYSA-N 448.552 4.730 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1CCN(CC)CC1 1705481809 NBDKWGOFNBUACD-MOPGFXCFSA-N 439.673 4.711 30 10 IJEE C#CCCCCn1c(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C 1705521598 GMFSUFNVQUQTEA-KRWDZBQOSA-N 429.634 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1705604615 PTSSRUAMKSZOSP-AZUAARDMSA-N 445.007 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN(C)[C@@H](C)CC 1705678245 STEMQEAOSCSKIF-GBXCKJPGSA-N 425.646 4.601 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705689897 CQGYABHAJZMJBP-MRXNPFEDSA-N 436.423 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1ncnn1C(C)(C)C 1705719662 GZMOTPOORCBQQO-UHFFFAOYSA-N 439.633 4.676 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1705722235 BNMCLQWVYUJIOT-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC[C@@H]1C 1705788364 YGLFZDYEYHIRFP-SFHVURJKSA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1705800151 PURLTRWIFXGSNU-AVRDEDQJSA-N 438.551 4.989 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cccc(C(F)(F)F)n1 1705848820 SUHVESVUOBYIND-UHFFFAOYSA-N 437.853 4.595 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCC[C@H]1C 1705862900 YMRAYMJCNCZFOM-CJAUYULYSA-N 435.547 4.531 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1OCC(F)(F)F 1706407892 GLBIGUFNJGGAMP-OAQYLSRUSA-N 435.494 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722302187 GTLNOMJPRFLMLU-XZDHIHRUSA-N 438.616 4.719 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(OC)CCCC1 1722402069 PSQQJJISSUNVQF-UHFFFAOYSA-N 443.016 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC1(CCOC)CCCCC1 1722473394 USIUMKLJYVXIPR-RUZDIDTESA-N 438.591 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1CCN(C2CC2)CC1 1722500811 LBNJALDQBRONSY-LJQANCHMSA-N 441.595 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC(F)(F)CO1 1722504217 GBQPIFYTMZAXMF-MRXNPFEDSA-N 441.320 4.534 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCCSC 1722508596 JSXATAYTNCSIJL-FDDCHVKYSA-N 439.629 4.521 30 10 IJEE C=C(C)COCCn1c(CCCc2ccccc2)nnc1N1CCC=C(Br)C1 1722536523 XIPRZGZDHLLUQC-UHFFFAOYSA-N 445.405 4.535 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722625750 WYCVEGZUEPAERW-NRFANRHFSA-N 448.596 4.558 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722635127 UPLULKRQWYLLLE-IEBWSBKVSA-N 443.592 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(CCC)C1 1722667738 IFKGDPHIPKMBSA-SFHVURJKSA-N 444.421 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CC1(C)C 1722672070 JITGIHKHTJFWIT-IBGZPJMESA-N 429.609 4.617 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](C)c2ncc(C)s2)c1 1724177403 DBNSSNKKFHAEDH-ROUUACIJSA-N 438.601 4.638 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2csc(-c3ccccc3)n2)o1 1724287764 HUADZVLZJWSHCR-MRXNPFEDSA-N 432.553 4.809 30 10 IJEE C[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNc1ncc(Cl)cc1Cl 1726580275 AHWVDNWVLZUDCJ-CQSZACIVSA-N 442.354 4.619 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1740655264 CMOYCFZWOLWUPT-DQEYMECFSA-N 430.596 4.875 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)c1cccs1 1740660741 BHSBPVOBULJZBB-UHFFFAOYSA-N 435.597 4.646 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1740721555 MHUKAENZDAUPSU-JTHBVZDNSA-N 438.641 4.999 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(Br)ccc2C1 1740848033 AHACBTLYEBLSKC-GOSISDBHSA-N 445.405 4.710 30 10 IJEE C=CCCCCn1c(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)nnc1C(C)(C)C 1740866391 CIWHQOCMWJSZDK-UHFFFAOYSA-N 437.632 4.773 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ncccc1N(C)C)C1CC1 1740907466 VDIWQTTWHCIHIJ-UHFFFAOYSA-N 443.382 4.916 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCCc1c[nH]nc1C)C1CC1 1740908616 FCKXOJSBFQLOGU-UHFFFAOYSA-N 441.377 4.527 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccsc1 1740935740 VVRLFULMGZEBJA-VWLOTQADSA-N 445.592 4.544 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1740944417 HKKHTBRJZHEFOH-YVEFUNNKSA-N 437.769 4.551 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1741004323 WTNVHAHHZPFFFP-RTWAWAEBSA-N 435.622 4.593 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCC[C@@H](O)C1 1741516086 GHSFDPOXWJMMBA-RTBURBONSA-N 429.996 4.916 30 10 IJEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](C)C1 1742068585 AMKMBWZJIIIRCY-QFBILLFUSA-N 436.585 4.566 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1ncc(C)s1 1743837381 ABYBXVIJHGWEFI-SJORKVTESA-N 438.601 4.780 30 10 IJEE CCCC1(Cn2c(CC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 1745310434 FZHWVPYTVUJMBR-UHFFFAOYSA-N 434.632 4.641 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccnc(SCC)c1 1748658953 ZJEHXGSUXCLAAK-QGZVFWFLSA-N 428.565 4.507 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnc(C(C)C)nc1 1748735304 FWASRTYEMJTNPA-SFHVURJKSA-N 436.535 4.520 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccsc1)N(CC)CC 1748777589 SDHVNSOFVSDXAS-HXUWFJFHSA-N 445.995 4.952 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1CCC(OC)CC1 1748908200 VTWZYXOEOKANFT-JSOIOWGOSA-N 428.552 4.612 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS[C@H](CC)C1 1749024277 LMDPNDCPJZIHSR-FUHWJXTLSA-N 446.711 4.830 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1749217995 FZBIBJCXVQHILV-OAQYLSRUSA-N 442.947 4.671 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)N2CCCCC2)CC1 1749347368 OSPRDAWMZSDWHQ-FGZHOGPDSA-N 443.680 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCc1ccccc1 1749363530 GNNFABRKEGDGPT-UHFFFAOYSA-N 435.572 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749370975 VRPDCZXMYJVCIT-CZUORRHYSA-N 427.540 4.871 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCc1nc(C)c(C)s1 1749529826 MEXFICBWMNESIE-UHFFFAOYSA-N 434.613 4.956 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1CC 1749532011 RSKQCKRQBFLWCW-FCHUYYIVSA-N 429.572 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CC[C@](C)(O)c1ccccc1 1749550644 FXGZRGILEDIKBR-DEOSSOPVSA-N 433.581 4.825 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cccc(Br)n1 1749563384 FUIVLVLUHIKWSU-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC(F)(F)F)C1 1749703581 KRSYJEBZWQQYKY-IBGZPJMESA-N 438.494 4.714 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(c2ccccc2CO)CC1 1749755517 IGRUYVUWRVFNLJ-UHFFFAOYSA-N 428.646 4.662 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCCCCC2)nc1 1750069304 GQYDLZAMFWGAKH-IBGZPJMESA-N 447.562 4.504 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCS1 1760196142 LDRXHNOFOCGYAT-OAHLLOKOSA-N 426.998 4.782 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCc2ccccc21 1760332194 WAMSHHKLXJGDEH-SFHVURJKSA-N 436.991 4.847 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1760376068 CTWADJXZTPQSLQ-QGZVFWFLSA-N 439.785 4.570 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2c(CC)noc2C)CC1 1760382470 QXDQWCABZNZEND-KRWDZBQOSA-N 425.508 4.621 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1760388189 HJVVMAHSQCOLEM-UHFFFAOYSA-N 443.473 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1760410527 HZVZCBJRPJMHKK-UHFFFAOYSA-N 448.615 4.912 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1760424654 PARGWFCCFSKYJS-UHFFFAOYSA-N 437.975 4.838 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([S@@](C)=O)CCC1)C1CC1 1760470867 FVEPCMDHVOQVKI-BEIWTESXSA-N 449.020 4.528 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCc1csc(C)n1 1760483094 DGEPPFIMLHOAEY-UHFFFAOYSA-N 434.544 4.679 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(C)(C)CC1)C(C)C 1760490346 VEIDRAVFWKJHQT-FGZHOGPDSA-N 429.653 4.845 30 10 IJEE CO[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 1769640785 APJRRKGTOPMXIL-OFNKIYASSA-N 436.947 4.511 30 10 IJEE COc1cc(/C=N/NC(=S)NCc2ccccc2Cl)ccc1OCc1ccccc1 1860499119 GCIJBMUGBOGWNW-VULFUBBASA-N 439.968 4.926 30 10 IJEE N#Cc1c(O)nc(S[C@@H](CCc2ccccc2)C(=O)O)nc1-c1ccccc1Cl 1860825103 MXZOUEZBVPYFQO-KRWDZBQOSA-N 425.897 4.552 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1862432631 JGWSTAIUAOLVST-LJQANCHMSA-N 434.319 4.998 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cc(Br)ccc1F 1862440107 JDLAFLAKQWPBEH-MRXNPFEDSA-N 438.680 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446337 PYNJHDQKZODDNH-IEBWSBKVSA-N 432.303 4.751 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2c(F)cccc2Cl)cc1 1862480467 HTEKNFYTBVOLHT-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862534140 OYXPQHBAIIREBO-NRFANRHFSA-N 447.512 4.787 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2Cl)cc1 1862536151 RVHJRUBBGYAWHK-QFIPXVFZSA-N 449.938 4.768 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1862582989 QLXHHGISXFOWCG-QGZVFWFLSA-N 434.275 4.678 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cccc(C)c2)c1 1862597035 KYMBWDLGFDYFQA-XMMPIXPASA-N 443.499 4.878 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(O)c2)cc1 1862661337 DQUXJXMKIAECIZ-QHCPKHFHSA-N 428.488 4.689 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862693363 JKPXALRLPUCRBA-LJQANCHMSA-N 444.871 4.635 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(OCC)c1 1862716439 GJUNYFSUGVQSMK-QHCPKHFHSA-N 429.472 4.708 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1Cl 1862743729 FELMHZXEWYJXJH-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)c1 1863128350 IYLORZAJKBCIJA-UHFFFAOYSA-N 446.466 4.639 30 10 IJEE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)cc1 1865865042 OUUATRXVSBXMIF-UHFFFAOYSA-N 428.444 4.885 30 10 IJEE COc1ccc(C(=O)Nc2c(Br)cc(C#N)cc2Br)cc1Cl 1865962743 HJWMOWMUKFSYRJ-UHFFFAOYSA-N 444.510 4.998 30 10 IJEE Cc1cc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)ccc1[N+](=O)[O-] 1870156416 LXVNDOYHTGVPJK-UHFFFAOYSA-N 432.484 4.855 30 10 IJEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CSc1ccccn1 1870266040 SFHFRAWXZYEMDQ-UHFFFAOYSA-N 428.941 4.833 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1870908726 ITXQQHQBNIXHCD-UHFFFAOYSA-N 446.547 4.568 30 10 IJEE C[C@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871253772 HYKZHDXXIYVOBR-IBGZPJMESA-N 445.563 4.589 30 10 IJEE Cc1ccc(/C=C2\Oc3c(CN(CCO)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1 1871393740 HRJJBVJNNWCFKV-IWIPYMOSSA-N 429.516 4.620 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871400055 DOAQQRKPBQXSAW-UKWGHVSLSA-N 444.867 4.545 30 10 IJEE COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 1871452634 KMANLQKLHRYDOI-JAIQZWGSSA-N 439.851 4.884 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871886156 OFJLULHSXGIMIJ-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)c1ccccc1)S(=O)(=O)CC 1872288365 KAPVPHAPKPBELU-VWLOTQADSA-N 448.588 4.795 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872500271 VXUWWJYJMXWECM-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872536308 FAKUDRMREDJIAC-AUSIDOKSSA-N 428.598 4.842 30 10 IJEE COc1ccc(Cl)cc1N1CC(=O)C(c2nc(-c3ccc(F)cc3)c(C)s2)=C1N 1872725969 DPEICFSIQSVPQT-UHFFFAOYSA-N 429.904 4.636 30 10 IJEE N#C[C@H](C(=O)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 1872765572 RUGQLSHWGOIPLF-OAHLLOKOSA-N 442.294 4.900 30 10 IJEE COc1cccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccc(Cl)c3)C2=O)c1 1873219974 MYUBVYQCRRGZEH-UHFFFAOYSA-N 443.890 4.612 30 10 IJEE Cn1cccc1/C=N/n1c(COCc2ccccc2)nnc1SCc1cccc(F)c1 1874353805 BSPMHYUYXRQZTC-AFUMVMLFSA-N 435.528 4.647 30 10 IJEE CCc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCC(=O)OCC(C)C)cc1 1874414141 DPVAUVVKWCGUMO-YDZHTSKRSA-N 442.610 4.666 30 10 IJEE CC(C)Cc1nnc(SCCO)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874492213 DJRLKDCBFPYGBF-ZVHZXABRSA-N 444.988 4.676 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CC2)cc1 1874517354 ZCVGJJIJOQRLNY-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1C(C)C 1874627748 UMODFJZTQGRQMA-VOTSOKGWSA-N 431.916 4.549 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1Br 1874639498 BZLQYPVMPRDPSW-RMKNXTFCSA-N 433.298 4.936 30 10 IJEE CCCCCCCCC(=O)Nc1cccc(C(=O)CCN2CCC3(CC2)OCCO3)c1 1874728909 VQLHPVAVSPMHKH-UHFFFAOYSA-N 430.589 4.787 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(COc3ccccc3Cl)nnc2s1 1874769050 OVGBGDRAZHIGBP-UHFFFAOYSA-N 435.981 4.785 30 10 IJEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3Cl)CC2)cc1 1891332080 XYDLFFFEKHRTQR-UHFFFAOYSA-N 445.755 4.751 30 10 IJEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)C2)c1 1891444646 AGSXWKDLHVHVRW-LJQANCHMSA-N 437.421 4.933 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC12CCC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC2 1942923888 YAICUJZIQRUVRI-JAGHRAMZSA-N 447.498 4.906 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1953131835 HVMMYLWGLMKPEV-BWKNWUBXSA-N 435.524 4.775 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)Nc1ccc(Br)c(C#N)c1 1964910167 YODLITVOMBWYJP-MRXNPFEDSA-N 436.350 4.829 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](CC#N)C1 1985179636 QFEZJUIQEHBJFA-OSWQYVSFSA-N 445.563 4.702 30 10 IJEE C#CC[C@H](C[C@H](O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2019972388 JHHOCCWFTJIMEK-MVERNJQCSA-N 427.585 4.631 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Cl)c(Br)c1F 2041202607 JYQBUJFHWGPNNO-CZUORRHYSA-N 433.749 4.809 30 10 IJEE Cc1nn([C@@H](c2ccc(C(F)(F)F)cc2F)C2CC2)c(I)c1C#N 2079873976 XEJATAKPMLMGCH-CQSZACIVSA-N 449.189 4.825 30 10 IJEE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1C 2080031149 XZRXNKSRMYGTPI-AWEZNQCLSA-N 432.240 4.794 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](Nc2ccc(C#N)cc2Br)(C(F)(F)F)C1 2105981966 TYAWFWHWKLYKAM-INIZCTEOSA-N 434.256 4.675 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)C(C)(C)C1 2118195595 XJOSVWNJAUNCJB-CYBMUJFWSA-N 426.330 4.732 30 10 IJEE CC(F)(F)C[C@H]1CSC(=NCc2c(Br)cccc2Br)N1 2169544244 KFKQKNPICHVBDQ-QMMMGPOBSA-N 428.140 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2cccc(Br)c2C#N)CC1 2174807461 BYMZAUWPZHBLAR-SFHVURJKSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H]1CN(c1cc(Br)c(C#N)cc1F)C2 2174821478 IBYRJUDHOSYODP-JLTOFOAXSA-N 438.341 4.734 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)Nc2ccc(Br)cc2C#N)c1 2181148802 WJQFQEMRTLALTF-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1c1ccc(Br)cc1C#N 2185155638 YSHWCKHCCJQWRC-MRXNPFEDSA-N 444.320 4.840 30 10 IJEE NN[C@H](CC#CC1CCCCC1)c1ccc(Br)cc1I 2207262067 PBYUMBRWRIEUDY-MRXNPFEDSA-N 447.158 4.532 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2235721856 JJFMOXSWRCTSMM-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CC1CCC(C#N)(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243911399 RJQHWEOBYYVSRT-UHFFFAOYSA-N 445.563 4.892 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2247979703 PFXJGVKCPVXLKR-IIBYNOLFSA-N 436.557 4.709 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2296281236 JIZRCDHXNISHBG-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296289137 OKWKNHBBYHVRBE-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2296296182 LAVYSOIOMLVISC-YVWKXTFCSA-N 435.406 4.672 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1 2296576842 NAGQHJUKYSFJON-QFIPXVFZSA-N 432.476 4.707 30 10 IJEE CN[C@H](C#Cc1cccs1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300752589 MBPPJNOEQAFVAY-RDGATRHJSA-N 440.609 4.532 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C2(NC(=O)OC(C)(C)C)CCOCC2)cc1 2318698962 HYRZEEMODKYNHY-IBGZPJMESA-N 445.560 4.703 30 10 IJEE Cc1cc(CSC[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2320598528 IBKVAONNLGXZSU-IBGZPJMESA-N 447.450 4.927 30 10 IJEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2COc3ccccc3O2)C4)o1 2322234866 PFMPDTLSGFLUCL-GOSISDBHSA-N 445.471 4.505 30 10 IJEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(CCCOC(C)C)C4)C2=O)cc1 2322333391 PTQXXUJMJWYYKX-UHFFFAOYSA-N 437.536 4.977 30 10 IJEE COc1cc(C=NNc2cnn(C(C)(C)C)c(=O)c2Cl)ccc1OCc1ccccc1 2322601440 UPKATXDKPUILRT-UHFFFAOYSA-N 440.931 4.685 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OC 2323060723 UHQVJHBAGJQMHD-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COC(=O)c1sc(NN=Cc2ccc(OCc3cc(C)ccc3C)c(OC)c2)nc1C 2323854555 UAQBVRCCJDCQRA-UHFFFAOYSA-N 439.537 4.889 30 10 IJEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1O 2325471235 MNDZETZCZPOWJX-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE Cc1cc(OCCN2CCOCC2)cc2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2325675300 PYRTWCURCHERFO-UHFFFAOYSA-N 434.319 4.629 30 10 IJEE COCC(=O)Oc1cc(C=CC(=O)c2cccc(Cl)c2)c(Br)cc1OC 2325728250 ZBRLPAGLSHJSFH-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1ccc(C=CC(=O)c2cc(Cl)ccc2OC)cc1OC(=O)c1cnc(C)cn1 2325779375 KYKARQXPUBZUKB-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CCCOc1ccccc1C=Nn1c(COc2cc(F)ccc2F)nnc1SCC 2327446176 UVABZFVWOPKPQC-UHFFFAOYSA-N 432.496 4.918 30 10 IJEE CCOc1ccc(Cc2nnc(SCCO)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 2328569830 CKPKWCIOTRTFKC-UHFFFAOYSA-N 438.597 4.532 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccn2)c1 2330548653 OOYNCBVCAFSKRK-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccccc2)o1 2330577171 NCFIQKKLEWRWGS-UHFFFAOYSA-N 438.534 4.951 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC(=O)CCOc1ccccc1 2331165008 KTCJYGNPCNSPRJ-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 2331177900 QBDANQFYRQYSSS-UHFFFAOYSA-N 441.513 4.660 30 10 IJEE CCCCc1nnc(SCc2ccccc2C)n1N=Cc1cc(OC)c(O)c(OC)c1 2331322839 XEEPVFZNBRLPRE-UHFFFAOYSA-N 440.569 4.826 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1cccc(Cl)c1)NC1CCCCC1 2331531169 IEBFFPDJNJGQQC-UHFFFAOYSA-N 431.993 4.622 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1cc(Cl)ccc1O 2331687246 BNULMBQQXZZJKM-UHFFFAOYSA-N 443.960 4.682 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]2(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339583441 WSXROTUSSKMWQR-JEAMOKKESA-N 442.365 4.505 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2339589422 XFQQGDGTHIJKBA-CEXWTWQISA-N 441.381 4.536 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197952 ZOHNWFCIUPAOGT-LMCOJAPRSA-N 433.390 4.567 30 10 IJEE CCCCC#CC[C@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366669714 IXUCHQAZVDDXQT-GXTWGEPZSA-N 425.763 4.601 30 10 IJEE CCCN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)CC(F)(F)F 2377307997 WJVSTEJGUYPDGI-UHFFFAOYSA-N 436.121 4.523 30 10 IJEE CCOc1ccccc1N/C(=N\C(=O)c1cc(C)cc(C)c1)NCc1c(C)nn(CC)c1C 32972012 HYMPOQPRGVCVEN-UHFFFAOYSA-N 447.583 4.933 30 10 IJEE O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 33424101 MCGKCNNVXULKEU-NTXSPULPSA-N 426.424 4.936 30 10 IJEE CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 59446639 YCJPMZSHLXVAIL-KRWDZBQOSA-N 436.364 4.964 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccccc1C 169946424 MBSFSHIYSFFLAJ-HXUWFJFHSA-N 434.517 4.860 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@@H]1c1ccc(OCC(C)C)cc1 169990235 LCYNWMDECDOSJP-QHCPKHFHSA-N 437.536 4.563 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc2ccccc2c1 170134435 VOJWLABSHCQRKI-HSZRJFAPSA-N 425.440 4.917 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccc(O)cc1 170136758 QHROFZWTSNQZFR-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1 170169859 WWQPRFWOFAHLNE-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccnc1 170193928 CFNNUVDWZGTCTK-HSZRJFAPSA-N 441.531 4.861 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccnc2)cc1Cl 170194167 BQOUKLQATWCXDG-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@@H]3c3ccncc3)oc12 170204613 CQZXEJZXZDJOIV-JOCHJYFZSA-N 440.455 4.928 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265870 XQSCREUZYJAASY-TZIWHRDSSA-N 425.912 4.660 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccccn1 170274474 KWSYIUXLWRWLIH-XMMPIXPASA-N 442.515 4.956 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)o1 170298718 FZSAPBHMPROGBD-JOCHJYFZSA-N 441.524 4.626 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC(C)=O)cc2)cc1 170407025 WFYGRDYATPHJLG-JOCHJYFZSA-N 431.444 4.550 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 170438515 PWDRKVPBYWAFRL-XMMPIXPASA-N 437.536 4.995 30 10 IJEE COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1 252462652 VARMMZSQFVVUGX-OAQYLSRUSA-N 431.517 4.860 30 10 IJEE COCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=Nc1ccccc1 252616876 KHQQAOOBRYIXIM-AQAUNXFGSA-N 448.500 4.895 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 437553774 FCIIEHSAJRAGEF-ZDUSSCGKSA-N 437.443 4.599 30 10 IJEE C=CCn1c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nnc1-c1ccoc1C 503752678 WGFVGPXFLRXGOM-QGZVFWFLSA-N 436.581 4.952 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-c2csc(C)n2)s1 521703223 XVEBDCPKXQKAOO-UHFFFAOYSA-N 428.539 4.986 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(C)cc2)cc1OC 526607334 VAMCKCOFEWJZHS-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cn(C)c2ccccc12 526826766 HCKONZIPHYJELF-QFEZKATASA-N 447.564 4.683 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccc(F)cc1 556318444 FRZOZXCHSZXFPM-HNNXBMFYSA-N 448.527 4.780 30 10 IJEE N#Cc1ccccc1Nc1cc(I)cc(I)c1 690333662 BBOJAAKNXBAPKH-UHFFFAOYSA-N 446.029 4.511 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\[C@H](C)c3cccs3)N(CC)C2=O)cc1 726419120 CRFPOLMRBHLQCU-BIFKABGJSA-N 431.583 4.557 30 10 IJEE CC(C)c1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 743004999 GSUBJIUOVACYOV-HNNXBMFYSA-N 426.538 4.571 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 744840226 NRFKTOTYWRADAH-SAHWJRBASA-N 434.492 4.517 30 10 IJEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cccs2)n1 1084461994 BCPFBRSXLKTEGR-UHFFFAOYSA-N 446.627 4.935 30 10 IJEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2ccc(Br)cc2)n[nH]1 1084509533 IXFLEODTYJLGTO-UHFFFAOYSA-N 439.383 4.522 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccc(C)cc1)c1ccc2c(c1)OCCO2 1124367909 KNQIXSGQHTZZPP-UHFFFAOYSA-N 445.515 4.943 30 10 IJEE C=CCC[C@H](C(=O)NCCOc1ccc(I)cc1)c1ccccc1 1128319757 PCUCEWAYSMTXRJ-IBGZPJMESA-N 435.305 4.536 30 10 IJEE N#Cc1sc(NC(=O)c2cc(Br)sc2Br)nc1Cl 1128833547 IFZIVEXPZSHRAB-UHFFFAOYSA-N 427.530 4.507 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(CC)[C@@H](C)CC)c1 1130882566 JEPMAUPZGRBTPB-KRWDZBQOSA-N 434.989 4.982 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CC)c3ccccc3OC(F)F)n[nH]2)c1C 1136191578 SMQCOUCGSUVCNV-MRXNPFEDSA-N 429.471 4.559 30 10 IJEE C=CCC1(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)CCCCC1 1136903808 MNZTUAHICDASGW-NRFANRHFSA-N 429.605 4.961 30 10 IJEE C=CC1(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)CN(C(=O)OC(C)(C)C)C1 1141391461 KMYHGMQADWXHOS-UHFFFAOYSA-N 427.467 4.523 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 1170311261 QQJPMYLHAOMMGW-MOPGFXCFSA-N 429.948 4.622 30 10 IJEE Cc1ccc(C2=NN(C(=O)CN(C)[C@H](C)c3cccc(C#N)c3)[C@H](c3ccco3)C2)cc1 1171399399 GZTQUOUSEBFDER-DVECYGJZSA-N 426.520 4.830 30 10 IJEE C=CCn1c(SC[C@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)nnc1C1CC1 1188268582 CRPMJCCUXBNKPM-SFHVURJKSA-N 444.601 4.751 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)Oc1cccc(OC)c1 1206195183 XZGUQLRXVBKJCJ-CQSZACIVSA-N 435.318 4.612 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(Cl)cc1F 1209065593 UBMBVZRHYRHXRH-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1211185322 DBYLQNAZUFYINB-LLVKDONJSA-N 447.276 4.721 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C(C)C 1221032034 JXZUSBGUBSMOTO-OAQYLSRUSA-N 433.552 4.760 30 10 IJEE C[C@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1221076752 HTMRNJNYUWBOQV-FNZWTVRRSA-N 426.564 4.758 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 1222004286 DEZJYWUCSLIBFS-ROUUACIJSA-N 447.366 4.752 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1266463698 WMPIDSCOEGEXMM-FPOVZHCZSA-N 430.470 4.991 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccnc1Sc1ccc(Br)cc1 1270655013 DFVDYMCFTPNLCJ-RDTXWAMCSA-N 433.371 4.706 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](C)CCc1ccc(I)cc1)c1ccccc1 1277181544 UZVVEGVSKHPJMH-JXFKEZNVSA-N 431.317 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@@](C)(CC)O1 1286280602 ARHCXLKVXSCRSV-HEKZAOSPSA-N 448.567 4.923 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CC=CCC1 1286419704 DARBNIPTSGFVLT-FGZHOGPDSA-N 432.568 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccoc1 1286518700 YRZDQTRPPXQYNU-HXUWFJFHSA-N 445.748 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C1CCCCC1)N(C)C 1286567353 UQMMPOWDFQTMAM-QHCPKHFHSA-N 425.621 4.867 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC2(CCOC)CC2)CC1 1286655567 RQMHZZARFVCNGZ-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CSCCS2)CC1 1286664547 YXGMCWGKZNPCIL-HXUWFJFHSA-N 444.670 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(Cc1ccco1)C(C)C 1286667356 JLEXOPTWSAJZSE-UHFFFAOYSA-N 446.559 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1286669375 DCOVOPNCYRVQNK-UHFFFAOYSA-N 438.620 4.541 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(OC)c1OC 1286718911 VPRCGMSBQMEGJY-UHFFFAOYSA-N 438.597 4.963 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H](SC)C(C)(C)C 1286740606 QZVVQLWTLBEQFN-CTNGQTDRSA-N 444.645 4.761 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1OC 1286741545 IQVBMBIVDJUNGL-VWNXMTODSA-N 442.567 4.528 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCc1nnc2n1CCCCC2 1286745822 ILYHFZZXXJXFLS-UHFFFAOYSA-N 447.631 4.620 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)c2ccc(F)cc2)C1 1286812841 UHCYMNZVSXJQSK-UTKZUKDTSA-N 426.561 4.655 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC1CC(C)(C)C1 1286968559 AAPXVMBGGYJGRR-OAHLLOKOSA-N 446.393 4.652 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)C1 1287736504 AGLBESVPCKDJKV-IFMALSPDSA-N 446.599 4.975 30 10 IJEE CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccsc2)C1 1288896007 GVJSGNVRNMCNNI-CYFREDJKSA-N 435.597 4.658 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccnc(SC)c2)cc1 1292503202 GSIGYEUUDUMYHR-DEOSSOPVSA-N 432.597 4.803 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1nc(C(F)(F)F)cs1 1300293595 QRQBGRJWTSQYAH-NSHDSACASA-N 425.867 4.580 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1300348119 JMCYDLXOYKPXNP-BEFAXECRSA-N 449.368 4.511 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1300956192 QZVKMDNFDFNURL-GOSISDBHSA-N 425.577 4.529 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCCSC 1301018912 CBUMAFVKCVPXMK-UHFFFAOYSA-N 433.778 4.789 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2c(ccnc2O)C1 1301027453 QPTIGKJBNQKBTI-UHFFFAOYSA-N 436.730 4.668 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1301029380 NJNOHSMMLILXFK-UHFFFAOYSA-N 442.947 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(F)cc1Br 1301158475 GYCQBGLBQPFFKJ-UHFFFAOYSA-N 433.329 4.926 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1nc(C)c(C)s1 1301349255 MALPHFXULPBCAV-UHFFFAOYSA-N 430.581 4.578 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@H](C)C1 1301403449 ZLGOOOPENGKBGX-JRFVFWCSSA-N 438.616 4.960 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC3CCC(c4ccccc4)CC3)ccc2c1=O 1306552930 KKSRQEJIYWYRGS-UHFFFAOYSA-N 433.577 4.575 30 10 IJEE C=CCN(CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](Cc1ccccc1)C(=O)OCC 1307684752 PASDYCGGQRNFBZ-DHIUTWEWSA-N 444.616 4.686 30 10 IJEE COc1cc(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)c(F)cc1Br 1308344369 HCXPJBKFFGWCHB-UHFFFAOYSA-N 435.684 4.920 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc1OC 1308389910 AUESPELVJNPCHN-XMMPIXPASA-N 444.959 4.804 30 10 IJEE C=CCOc1c(Br)cc(CN[C@]2(c3ccccc3)C[C@H](O)C2)cc1OCC 1308511019 FXTIIUQKXIYJGD-CXGRPWHSSA-N 432.358 4.552 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)c1ccccc1 1309810693 RHIPYOIYYHYDMN-KRWDZBQOSA-N 425.909 4.642 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 1310188220 IBEPEZKIYXXZMX-QFIPXVFZSA-N 437.540 4.907 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](c2ccc(OC)cc2)C1 1310864446 XPGBMDBXHKZKIZ-HXUWFJFHSA-N 447.329 4.628 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCSC1)[C@H]1CC[C@H](C)C1 1316077297 IDTHUPMGCSMCDS-VCOUNFBDSA-N 439.629 4.601 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(Nc2ccccc2Cl)CC1 1319589905 FRZYHGWGRGHVGS-SFHVURJKSA-N 440.975 4.560 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)c1ccccc1 1351866585 ZKJYRFNEELTNKT-FQEVSTJZSA-N 428.935 4.904 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(c2nccs2)CC1 1358934162 RYNOTMMKYHMXFG-UHFFFAOYSA-N 435.597 4.728 30 10 IJEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1358953636 DDEGJBITKUFDCK-CVEARBPZSA-N 438.519 4.942 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359142375 GLNGGQXIXARKBR-GVDBMIGSSA-N 437.371 4.687 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(SC)CCC2)CC1 1359158380 PKLMSGIYQQGXAP-UHFFFAOYSA-N 425.602 4.589 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC)[C@H](C)C1 1359191561 DYUZRLUEICMDEW-OAQYLSRUSA-N 425.621 4.607 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1359208529 NXIWUVUJDYCCLK-NRFANRHFSA-N 426.630 4.889 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1ncc(C)s1 1359234547 SBJAJIRQNLXAQF-LLVKDONJSA-N 438.420 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(SCC)c1 1359264218 YQHZZZRTXRAEBQ-GOSISDBHSA-N 441.626 4.591 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(C(C)C)C1 1359264679 MCGIAWUVHBGEMT-PZJWPPBQSA-N 429.634 4.504 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1359339183 VTGJTHPMOZIHHO-UHFFFAOYSA-N 443.661 4.513 30 10 IJEE C#C[C@@H](NC(=O)C1(C)CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 1436650335 ANSHFFJGPOCAHK-OAQYLSRUSA-N 425.370 4.542 30 10 IJEE C#C[C@H](NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C)c1ccc(Cl)cc1F 1449317602 NBONVKOTBXFRTH-KSSFIOAISA-N 445.922 4.697 30 10 IJEE C=CCC[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)OCC 1449691348 FMIYHTVXZFWTMY-HNNXBMFYSA-N 427.353 4.674 30 10 IJEE N#C[C@@H]1CN(C(=O)c2ccccc2OCc2ccccc2Cl)CCN1Cc1ccccc1 1456271743 AUQOPFVGWXPVIL-JOCHJYFZSA-N 445.950 4.769 30 10 IJEE C=C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(OCC)cc1 1459696993 VWZPDASUDBSCRC-KRWDZBQOSA-N 438.553 4.585 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(N(C)C)c(F)c2)nnc1-c1ccc(Cl)cc1 1462344058 GGOAUKRHPYNHFP-UHFFFAOYSA-N 445.951 4.720 30 10 IJEE CC[C@@H]1CCc2nc(O)c(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2C1 1464780164 WNNPIGLQSCNHAV-IQGLISFBSA-N 441.531 4.876 30 10 IJEE C#C[C@H](NC(=O)N(CCCO)[C@H]1CCCc2ccccc21)c1ccc(Br)cc1 1470663770 RIRLYTPCWXZJQY-VXKWHMMOSA-N 441.369 4.595 30 10 IJEE CCCOc1ccc(O[C@@H]2CCCC[C@@H]2N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1473397132 HOICAMLNRMWDHN-KKUQBAQOSA-N 447.579 4.822 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(O)CCCC(C)(C)CC2)cc1OC 1474233272 VYXAUWOQSAEZEU-OAQYLSRUSA-N 426.395 4.834 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1474820549 ZYXBKVYKOCGMQM-UHFFFAOYSA-N 449.395 4.950 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC)C[C@H]2COc3ccccc3O2)cc1 1476041931 UBHDXSKBTMSVJL-QFIPXVFZSA-N 449.551 4.585 30 10 IJEE C=C(Br)CNC(=O)N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 1476571947 UZPHKKLZCXNPRK-GFCCVEGCSA-N 425.541 4.787 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(OCC)CCCC1 1507522558 IHFZWINGEAFENE-KRWDZBQOSA-N 445.405 4.823 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cscc1C 1507644616 LOKIMAODJFICCF-UHFFFAOYSA-N 442.544 4.608 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]1C 1507797615 PWEOVCQLGYBDKH-HQRMLTQVSA-N 445.405 4.986 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](C)C1 1507848730 RCSLQKNQULUQKC-IBGZPJMESA-N 444.645 4.689 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([S@](C)=O)CCC2)CC1 1507879809 FHJVJUCZEFFFCZ-ZOKDDAQRSA-N 449.020 4.529 30 10 IJEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1507888215 XRCQHTMWOXIKFE-NHCUHLMSSA-N 440.636 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1507914580 LHPXYSKXTJANLD-JOCHJYFZSA-N 447.583 4.535 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)NCCC)CC1 1507925589 FSBFTGDRCYGJOA-UHFFFAOYSA-N 446.599 4.592 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1Cc1ncc(CC)s1 1508006038 GNWFLVNQYSDWBS-LJQANCHMSA-N 427.549 4.529 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1Cc1ccc(OC)nc1 1508009256 WVZHVXURZGAXIM-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(CC)Cc1cccs1 1508103017 DGZPUDWHEAUHDB-FQEVSTJZSA-N 438.597 4.873 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC[C@@H](C)C2)C1 1508117879 OWMNDGDYSVGYSK-FUHIMQAGSA-N 432.515 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2Br)C1 1508132594 WHKPLZGXNPUTKP-LJQANCHMSA-N 445.405 4.603 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1510303484 GEKDHOPIKYTUFS-SFHVURJKSA-N 447.505 4.537 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1)SC 1513255580 DZWOTLGTYVLZBR-UHFFFAOYSA-N 427.618 4.601 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)cc1OC 1519394492 XAFRALHDURYUIG-UITAMQMPSA-N 433.258 4.583 30 10 IJEE C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1OCc1ccccc1 1521240524 AVZHYQCWCQOSDZ-SIKLNZKXSA-N 443.522 4.980 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1523340843 YIXJTYDLIMBMKC-VWLOTQADSA-N 444.579 4.585 30 10 IJEE C#C[C@@H](NC(=O)c1cc(F)cc(Br)c1C)c1ccc(Br)cc1 1525053877 GSITYXAMLMWMNT-MRXNPFEDSA-N 425.095 4.763 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1)c1ccccc1 1529738274 UTZCWHQPELUTNA-OALUTQOASA-N 443.341 4.506 30 10 IJEE C=C(C)CCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C 1533719242 HGCNUTYGXJLIQQ-QHCPKHFHSA-N 438.568 4.784 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 1536556150 CVDCYQGEWYURPD-UHFFFAOYSA-N 430.460 4.690 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](C)c1ccc(I)cc1)c1ccccc1 1537453316 WDRPXXWIBXBXPW-PSLXWICFSA-N 439.318 4.634 30 10 IJEE Cc1cc(CCC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)ccc1Br 1538585219 CCWVBSSGIWEBHF-UHFFFAOYSA-N 446.776 4.564 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3-c2ccc(Cl)cc2)cc1 1538734522 MDVBSYJHJWDXRV-UHFFFAOYSA-N 430.895 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOCc1ccccc1 1539035586 SMTGRSKQSULYOR-MDNUFGMLSA-N 438.616 4.652 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@@H]1C 1539305777 ORHNRSIMFSAUCY-HOTGVXAUSA-N 431.403 4.668 30 10 IJEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Cl)s1 1539507481 XJJNAZIQALNBOX-UHFFFAOYSA-N 427.986 4.534 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@H]1CCCCO1 1539558292 DTURDRDMOZEAOL-ZJSXRUAMSA-N 426.992 4.864 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(CC)CC1CCC1 1539639552 ABQKYJKFNAGLOE-WMZHIEFXSA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1539910897 PNGJPTSQOYJYSD-QFIPXVFZSA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC1(CC)CCCC1 1540140406 VHHOZVXLFPKODX-UHFFFAOYSA-N 427.618 4.739 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1540360577 XDAJDMADYCPVPM-XJKSGUPXSA-N 428.982 4.677 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1540916027 RHSUPAGXPDRCLS-IFMALSPDSA-N 442.629 4.832 30 10 IJEE C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(-n2cccn2)c(F)c1 1544191405 GPDJWULLSBHXIC-GOSISDBHSA-N 440.478 4.953 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1544602271 VIHFIUPFGAHBHR-UHFFFAOYSA-N 434.496 4.876 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N\N=C/c2ccccc2)N1Cc1ccco1 1554646230 TXQREQVJSCJSGU-IZXFVBNXSA-N 432.461 4.694 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1Cl 1559731950 CNXMWCNCINSDAU-GOSISDBHSA-N 436.712 4.889 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1561112857 UQKKHVRJDJTTSX-UHFFFAOYSA-N 445.176 4.589 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 1561402756 RTIWWAYQIKXDSZ-KRWDZBQOSA-N 430.398 4.841 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 1568673398 KVWWFLMVBVNOTL-ZIAGYGMSSA-N 449.762 4.969 30 10 IJEE C#C[C@H](NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1)c1ccc(Cl)cc1F 1583585017 JEUXWDSBFZFWHR-IBGZPJMESA-N 428.916 4.953 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1583750163 JGLPAWVCVUSSQD-WMZHIEFXSA-N 434.964 4.666 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(Br)ccc1OC(F)F)c1ccccc1 1586031750 QFCLNQPGQJSXTH-RUZDIDTESA-N 430.270 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(OC(C)(C)C)nc1 1587614509 JRHSITSMQFRJQM-SFHVURJKSA-N 442.567 4.515 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)C1CCCCC1 1588266124 LUCGQJLUPJQYBU-QFQXNSOFSA-N 438.616 4.826 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)c1cccs1 1588276623 STXJCWMKKSYMGA-UHFFFAOYSA-N 430.581 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1589560462 ZNUXSXBVMSEPJV-UIXUWTQFSA-N 426.527 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)SC 1589657575 GHGUHNWLTAQIPH-ZWKOTPCHSA-N 437.654 4.547 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCN(C(C)C)C1 1589676460 WOTLMTOWXIIXSW-OAQYLSRUSA-N 434.632 4.873 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1593835427 ZXZWBNOMCMSYPO-INIZCTEOSA-N 444.948 4.755 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1594591009 IEBNXNOGNSRGMJ-NRFANRHFSA-N 446.599 4.592 30 10 IJEE C=CCCCCn1c(N2CCC(NC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C 1594660859 NXZBSBDNBJKSJA-UHFFFAOYSA-N 430.641 4.533 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1594752238 CELWTRLMSLMCJS-DEOSSOPVSA-N 429.008 4.814 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CC(C)(C)C 1594788827 ULYBEUGRNDQAMI-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCN(CCC)CC1 1595010337 XQKZMEPEWQPRIZ-UHFFFAOYSA-N 434.053 4.968 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCC(F)(F)C1)C1CC1 1595026625 PMJONFJCTYBNBR-XMSQKQJNSA-N 438.563 4.689 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCc1scnc1C 1595093425 DGNKBIWSPMWAGX-UHFFFAOYSA-N 444.564 4.918 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1595184931 HGIWKSRNZLHUNA-ICSRJNTNSA-N 443.389 4.867 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN(C)[C@H]2c2cccs2)C1 1595675116 YLJRWASTQRYMCU-SFHLNBCPSA-N 443.661 4.502 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC2(C)C)C1 1595687530 ADDPJMRKCKHKOL-KBPBESRZSA-N 437.407 4.597 30 10 IJEE C=CCSCCn1c(N2C[C@@H](C)N(CC)C[C@H]2C)nnc1C1(c2ccccc2)CCC1 1595905111 DHWNZCFWWIONMU-NHCUHLMSSA-N 439.673 4.586 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2c(C#N)cccc21)c1cccc(C(F)(F)F)c1 1598137304 FMHLICSJDGRKTR-LJQANCHMSA-N 445.441 4.732 30 10 IJEE C#CCC1(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)CCOCC1 1598175863 IQRPSGMJIWWPMJ-UHFFFAOYSA-N 443.425 4.519 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CCc1nc2c(s1)CCCC2 1611286359 FTFNAEYAGUVKHM-HNNXBMFYSA-N 441.004 4.915 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1O)c1ccc(F)cc1 1611369608 ZBXKIORBFXSTDL-OAHLLOKOSA-N 438.673 4.782 30 10 IJEE C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1)c1ccc(-c2cccc(C#N)c2)cc1 1611455603 CTKYMVHRXHTRPS-DLBZAZTESA-N 431.923 4.874 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1614085118 AJTQJQOGONKQCH-ABALZIDYSA-N 434.632 4.952 30 10 IJEE CC(C)(C)c1ccc([C@H]2CCCN2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 1615184015 FBRMSVORPGBULL-HSZRJFAPSA-N 427.552 4.817 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(F)c(I)c(F)c1 1623016278 TXKHBMHLWCYAFC-CYBMUJFWSA-N 442.247 4.878 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)C1CCOCC1 1623020497 LOXZVYYEESUXLU-OAQYLSRUSA-N 432.442 4.834 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C(C)C 1623334828 KZJFNLKFSBTICC-IBGZPJMESA-N 436.387 4.999 30 10 IJEE C=CCc1cc(CNC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)cc(OC)c1OC 1625993002 AWHYNKVRACTPCN-UHFFFAOYSA-N 445.491 4.841 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccc(CCC)cc3)C(C)C)ccc2c1=O 1626558580 NSLAGFFPWUXOGR-JOCHJYFZSA-N 435.593 4.951 30 10 IJEE C#C[C@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1627268070 BCJKBMUFHKLWAK-NRFANRHFSA-N 442.918 4.877 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cccc(C(F)F)c2F)nc1C 1628356894 NPKLNUOZZOHTIA-UHFFFAOYSA-N 425.461 4.514 30 10 IJEE C=C[C@H](C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)c1ccccc1 1629394160 PKUXZPOPIJFCPZ-UKILVPOCSA-N 433.573 4.882 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1630304276 SHTPEWFAUVFETD-NRFANRHFSA-N 439.394 4.908 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 1631195082 OVZCAYYDWHVOGS-HZPDHXFCSA-N 436.396 4.630 30 10 IJEE C#CCN(C(=O)c1sc2ccc(OC)cc2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1634817691 GWTXKBANKJOCQT-UHFFFAOYSA-N 442.581 4.693 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 1635976777 PKGNDYPUBHWNGU-RPBOFIJWSA-N 448.563 4.545 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1637048202 XNLVGWDYVAGWQK-FQRUVTKNSA-N 442.559 4.874 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1 1639969263 YGDKPZHDWUPPFW-UHFFFAOYSA-N 444.553 4.665 30 10 IJEE C=CC[C@@H]1CCN1C(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1640141557 MZGJWURZIYHBHI-LIXHSBQKSA-N 448.563 4.674 30 10 IJEE C=C(C)CN(CCc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3)Cc1cnn(C(C)C)c1 1645608804 HEQNJEHABPZKEZ-QGZVFWFLSA-N 438.645 4.797 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(Br)cc3C)nnc12 1651566406 ODWJROXVXCRFQU-UHFFFAOYSA-N 441.354 4.593 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)nc2sc3c(c2c1=O)CCCC3 1656066818 GXDVVUQGWAYGEK-HRCADAONSA-N 445.654 4.508 30 10 IJEE C#CCN(C[C@@H](O)c1cc2ccccc2o1)[C@@H]1CCOc2ccc(Br)cc21 1657340142 PXXAKKKILNOFNB-RTBURBONSA-N 426.310 4.688 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1662378336 KJHOGJYAVOLSON-SFHVURJKSA-N 445.434 4.617 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1668042046 DXNCCOGSICITTL-SYNHAJSKSA-N 437.531 4.917 30 10 IJEE C#CCN(C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1670909157 IPDJEZTWATUFPE-QFIPXVFZSA-N 439.600 4.746 30 10 IJEE C#C[C@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)c1ccc(Cl)cc1F 1671420889 YNSWDERQMKZQQF-KRWDZBQOSA-N 434.696 4.897 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)n1 1672725827 HWKRQLDKZRJICL-JOCHJYFZSA-N 443.576 4.642 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2ccc(Br)c(F)c2C1)c1ccc(Cl)cc1F 1674036794 VUEGPEHKRVRJRU-QGZVFWFLSA-N 439.687 4.823 30 10 IJEE O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 1676032840 BNERUWBNEANPEC-INIZCTEOSA-N 438.343 4.786 30 10 IJEE C#CCN(C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CCCc2ccccc21 1676229478 YFUAVDHFHNTJPY-HXUWFJFHSA-N 446.469 4.859 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1F 1679442076 ZYCTZXREDJKXMC-NRFANRHFSA-N 442.899 4.808 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccc(Br)cc1 1683680781 HCDOPZPUWNFCOP-FQEVSTJZSA-N 439.353 4.693 30 10 IJEE C[C@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1cccc(C#N)c1 1685180096 GXXKOBTXJGZRJE-AWEZNQCLSA-N 436.865 4.823 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1686740330 ITSPMQRVHFJUDA-GXRSIYKFSA-N 427.589 4.509 30 10 IJEE C=CCCCN(CC)C(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1687792266 IVSGLHMZOSILEN-CJFMBICVSA-N 443.588 4.888 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC1CC(F)(F)C1 1689886608 ARXBOFCFNRMNMF-UHFFFAOYSA-N 425.483 4.885 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1690001386 JNWDNQDYPIOPMY-TZIWHRDSSA-N 443.620 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1690032704 HJFSXLIPNQNHGC-KYPHJKQUSA-N 445.655 4.651 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(F)cc(OC)c1 1690063467 FAWFYTHTXNZTAO-UHFFFAOYSA-N 438.572 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1690201344 GPLPQLAQLGBIFC-NOMHHCBYSA-N 449.643 4.702 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1690347956 WEKXWQLGJIAEJO-MAUKXSAKSA-N 429.754 4.781 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1690520520 ZVTQVILVIXGEQA-HDICACEKSA-N 446.039 4.986 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)CC1CCCCC1 1690683335 IBSAUGXHJVLWJH-UHFFFAOYSA-N 431.584 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2[C@@H]2C[C@@H]2C)C1 1690690296 VYIWRFXTWCOXHC-DXCKQFNASA-N 437.769 4.723 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1690992976 CKCKSHSUIDGIHN-YDZRNGNQSA-N 445.995 4.873 30 10 IJEE CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C#N)c1 1693897794 DMCCZDTZCXNKGR-UHFFFAOYSA-N 441.377 4.980 30 10 IJEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2c(C)noc2C)C1 1694865203 BBOXUNATMUBDSB-FXAWDEMLSA-N 448.571 4.764 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H](c1ccsc1)N(CC)CC 1705486587 HWWCQLGEGOAPNA-LAUBAEHRSA-N 425.577 4.687 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1705540105 NEPTYMAXYZOVIX-DNVJHFABSA-N 436.600 4.658 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccn(C)n1 1705711339 HQGLIDLDJKAICC-UHFFFAOYSA-N 426.977 4.997 30 10 IJEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1705751614 RAIZJWPDIUDAGU-UHFFFAOYSA-N 427.833 4.830 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1705791430 WCNPZDJVEFBBAM-NRFANRHFSA-N 449.599 4.694 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(O)(CC)CC 1705871410 JBQLGPAAEZHBBG-UHFFFAOYSA-N 433.394 4.746 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722303959 UZJLGEHJGUJYKN-YESZJQIVSA-N 436.478 4.617 30 10 IJEE C#CCCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1cc(Br)c[nH]1 1722323472 UPKPVKFXSRNVAC-UHFFFAOYSA-N 442.365 4.579 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(C)C)CC1 1722334247 VFNZSHFPPKAVBM-NRFANRHFSA-N 443.636 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1722473161 QQNRAGKAYBXSFT-AREMUKBSSA-N 433.600 4.646 30 10 IJEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(OC(C)C)c1 1722526241 SWMNLZFKXWHEBC-UHFFFAOYSA-N 430.556 4.516 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)c2nc(C)cs2)CC1 1722583813 ZHYAYCYQEQYQNC-MRXNPFEDSA-N 441.576 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1722588442 SNEXRNRPNGWZJN-SFHVURJKSA-N 433.641 4.963 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 1722593202 KCDQTTBWGSNMTM-UHFFFAOYSA-N 443.661 4.712 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](CC)C1 1722597071 FLDXBNQVNZDOLA-MRXNPFEDSA-N 449.393 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C1CC1)N(C)C 1722636734 NYISQQFTXXUTHC-IBGZPJMESA-N 425.577 4.775 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)COC1 1722666476 GRCKSYCARVKYOU-GOSISDBHSA-N 430.980 4.903 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@H](CC)C1 1722683798 VUGHMZGYJCXGHW-GXTWGEPZSA-N 425.758 4.551 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1)C(C)C 1723438918 FJCRDIPINPNTFQ-HSZRJFAPSA-N 427.618 4.885 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740572282 GLTYBCAHVQFDEX-DEOSSOPVSA-N 444.627 4.713 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740712229 AKPPKTDKCMDGGK-UHFFFAOYSA-N 439.541 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCn2ccnc21 1740767387 UAFCVBHMXLCDRO-RTBURBONSA-N 438.551 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCSCC2)cc1 1740772460 JABCIUHBDFIVSP-QFIPXVFZSA-N 441.645 4.524 30 10 IJEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1740883222 MTRDSUBUZMYVHX-WMZHIEFXSA-N 433.556 4.529 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1740902040 UTDJZPCZYWVCNQ-UHFFFAOYSA-N 448.745 4.619 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H](SC)C(C)(C)C 1740920615 DUFMCKSKIZHVAX-ICSRJNTNSA-N 432.609 4.891 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1cc(C)oc1C 1740924352 NWBQPEJHRFPBBC-NFBKMPQASA-N 442.585 4.501 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@](C)(O)C1CCCCC1 1740933414 RKEKGUYINICPKG-AREMUKBSSA-N 433.600 4.860 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@@H](C)C1 1748828779 LNKCGVCHHAHFSQ-QUCCMNQESA-N 429.593 4.886 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1748907171 GTRFFYPUNJGRND-KURKYZTESA-N 430.980 4.735 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCc1cccs1 1748916709 AFOSPRDRTLPVKL-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1749219473 IWMNRZLUIUFJIW-UHFFFAOYSA-N 446.542 4.952 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)CN2CCCC2)CC1 1749296169 KMGIBZJSHUZJNT-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749364650 VRMRKHJHQFLTHV-LJQANCHMSA-N 438.601 4.594 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749419578 LELQZKXFCKGTAW-APWZRJJASA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCn1cc(Cl)cn1 1749474010 IIAHODFLCUCNOV-UHFFFAOYSA-N 442.951 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCN(C)C1CCCC1 1749548891 NDHNFHYMBJLUEW-UHFFFAOYSA-N 425.602 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccccc1F 1749564499 ANQNNHOFGMBRKY-INIZCTEOSA-N 427.911 4.779 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccc(F)cc2)CC1 1749594759 RWBDZNITFCSXOJ-UHFFFAOYSA-N 441.938 4.503 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCN(C(C)C)C(C)C)C1 1749696079 PHTGDIBLHXKBPQ-NRFANRHFSA-N 437.588 4.591 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1760097691 ITJGWXHWSNNSOU-BXRCABCMSA-N 442.579 4.999 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCN1CCC 1760103353 DFRKEJNZFWRFBF-CTNGQTDRSA-N 439.673 4.998 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC1CCOCC1 1760330673 LJDNJPVFDMREAA-UHFFFAOYSA-N 449.599 4.790 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760355242 CMNGLUQBMSIQKT-UHFFFAOYSA-N 446.599 4.631 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2ccncc2)CC1 1760392375 NWOYAKQAVLDJSN-UHFFFAOYSA-N 444.366 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760413506 KFUFBXVVMFUMNN-RLWLMLJZSA-N 438.616 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1760416268 ZBMWGTAKDWFGCQ-SIKLNZKXSA-N 426.605 4.937 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@H]1CC 1760448046 WKNNEUGDKGIRHW-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(COCC(F)(F)F)cc1 1760466534 YEAOPBSASFTEAI-UHFFFAOYSA-N 436.503 4.680 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCc2cccnc21 1760468242 MXKSNJNGWAUGLW-LJQANCHMSA-N 435.597 4.716 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2CCC[C@@H]21)C(C)C 1760489240 DEPSMQADRXTHFI-GPJHCHHRSA-N 427.637 4.597 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCN1CC 1760494266 LGOZVSTXKHUNHC-OAQYLSRUSA-N 432.572 4.653 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC)c2ccccc2)C1 1760538096 WBHURAZMTGCMKN-GHTZIAJQSA-N 437.975 4.969 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)C1 1760569506 QJSOURQWGUAFKW-CQSZACIVSA-N 427.401 4.929 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1760569739 ZBVWYQOXGOWWAH-BJLQDIEVSA-N 430.593 4.930 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1766153719 ANAKBEROXHUVBD-HBFSDRIKSA-N 440.661 4.744 30 10 IJEE COc1ccc([C@H](C)CCn2c(CC3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1769958259 CSSLUQAQRYTJHE-KOSHJBKYSA-N 425.552 4.655 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 1772521879 OCEFYFRDDMQXSZ-UHFFFAOYSA-N 445.466 4.840 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCO[C@@H]1C(C)C 1772522775 KTTGEQFGIQGZDG-AYPBNUJASA-N 430.955 4.791 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)c2ccc(F)cc2)CC1 1772555365 IDLXMNPPQIGCQD-UQBPGWFLSA-N 442.579 4.664 30 10 IJEE CC(C)(C)OC(=O)N1CC/C(=N/OC(=O)CCCOc2ccc(Cl)cc2Cl)C1 1860468079 PJUWPHKGUVSEDV-HMAPJEAMSA-N 431.316 4.692 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC 1860725205 ZRGDSNXGJPLPSB-QPJJXVBHSA-N 443.805 4.606 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1 1862431638 LNHRACCYWKWLBG-JOCHJYFZSA-N 449.890 4.838 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(Cl)c2)c1 1862491417 SHCKMIAMUWDJQF-NQIIRXRSSA-N 425.912 4.714 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2F)c1 1862556486 XNSMLJMWENWHIA-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 1862617729 XNNRQIWPHAJVMI-QHCPKHFHSA-N 434.580 4.686 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(F)cc1F 1862640370 HHTZRZNPCXHYTB-FQEVSTJZSA-N 433.426 4.881 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(F)cc2F)cc1 1862662555 ZCPWDUCNFBTJBN-QFIPXVFZSA-N 443.490 4.829 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2cccc(O)c2)cc1 1862688026 SRKGWNOMYLXZIU-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc(OC)c2)c1 1862703267 SKNBLCATUICXMJ-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 1862738831 KLYMCZBQIGVJJE-OAQYLSRUSA-N 431.448 4.597 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862752585 YXOQDOHXCAAEFX-LJQANCHMSA-N 438.823 4.620 30 10 IJEE CSCC[C@@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)Nc1cccc(C#N)c1 1866794924 OGANZBYIHVCVML-JOCHJYFZSA-N 437.609 4.801 30 10 IJEE CCCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 1866946631 QXQAVTHBIJLPOB-FOIQADDNSA-N 442.357 4.738 30 10 IJEE N#Cc1nnn(-c2cccc(OCc3ccccc3)c2)c1NC(=O)c1ccc(Cl)cc1 1870139918 QPHVQGSANUKVFF-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE CCCCCCCOc1cn(CCCC)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870409410 RGENDSJXBKGIKA-UHFFFAOYSA-N 440.632 4.715 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870766862 JYHZKRILYPNVRI-BGYRXZFFSA-N 448.563 4.506 30 10 IJEE O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc(O)c2CN(CCO)Cc1ccccc1 1871393974 WFOIOBDRYVMPLP-UCQKPKSFSA-N 435.907 4.656 30 10 IJEE CCCCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871685600 QKXBGNYVQRXPSD-UHFFFAOYSA-N 432.563 4.890 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1871803410 WQUVOUSKJDDIGU-IBGZPJMESA-N 441.380 4.896 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 1871812540 UBBHIEWKEZQGIT-INIZCTEOSA-N 446.516 4.751 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 1872765193 JPMIKTWZZKRAMH-IUYMFKLXSA-N 432.501 4.803 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(OC)cc2)cc2c(N(CCCC)CCCC)ncnc21 1873595503 GEPWMXDGAVLCLD-UHFFFAOYSA-N 449.599 4.963 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1sccc1C 1874222475 SNLHRJNQZQHJQJ-HYARGMPZSA-N 430.599 4.835 30 10 IJEE CCOc1ccccc1OCc1nnc(SC)n1/N=C/c1ccc(N(CC)CC)cc1 1874239330 BJMJZRSZYJHMBQ-LFVJCYFKSA-N 439.585 4.706 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(C)C)cc1 1874333430 ORDNPLJIJLBFRA-VWXZLZIGSA-N 425.602 4.676 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccco2)o1 1874407562 DJXGNFLFSCDJRX-OEAKJJBVSA-N 442.541 4.938 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc1OC 1874446156 UOPYWVVLNFWLAW-UDIPQKBFSA-N 438.553 4.711 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(OC)c2)c1 1874605985 PBNDLTCBHRRBKA-XYDKVEKUSA-N 445.515 4.856 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)NCCC 1874608242 CWJYLJSSVSAOCN-VAWYXSNFSA-N 427.928 4.878 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OC(=O)c1c(OC)cccc1OC 1875159743 YRTMHFLIRRXGRT-NTUHNPAUSA-N 436.435 4.967 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2ccc(C#N)c(Br)c2F)C1(C)C 1885858128 KGYFWKKQNQYXEC-JSGCOSHPSA-N 426.330 4.811 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccc(F)cc3Cl)cc21 1890602831 JVHDLIZVDOQWKI-UHFFFAOYSA-N 430.907 4.988 30 10 IJEE O=C(NCc1nnc(C(F)(F)F)n1-c1ccccc1)Nc1ccc(F)c(C(F)(F)F)c1 1891235682 SEIRWUFHVVRGSO-UHFFFAOYSA-N 447.314 4.766 30 10 IJEE COc1ccc(-c2cc(C(=O)NCC#CCN3CCCCCC3)c3ccccc3n2)cc1 1891381042 PTSGVIOMLMHUDD-UHFFFAOYSA-N 427.548 4.520 30 10 IJEE CC1(C)OB(c2ccc(CN3CC[C@]3(C)CCOCc3ccccc3)c(F)c2)OC1(C)C 1892547688 YNKIHAACQPHAQF-AREMUKBSSA-N 439.380 4.696 30 10 IJEE C#Cc1cccc(CNC(=O)[C@H](CC)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1901531267 NXZGDCNXPIOXQB-SANMLTNESA-N 438.527 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912145086 ZFKUFERYKLVPEF-LEWJYISDSA-N 434.541 4.607 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CN(Cc3ccc(Br)cc3C#N)CC[C@H]21 1966397968 FMWYUAWHBBKGQM-QFBILLFUSA-N 434.378 4.542 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(CCOC)CCCN1C(=O)OC(C)(C)C 2023624756 PFMUCYMOCDHCSL-WIOPSUGQSA-N 432.605 4.544 30 10 IJEE C[C@@H]1CN(c2cc(Br)cc(F)c2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2054429740 YLEDFGDTXZMVBJ-HUUCEWRRSA-N 446.320 4.696 30 10 IJEE N#Cc1c(C2CC2)nn2c(Cl)cc(-c3c(F)cccc3I)nc12 2081181928 YEFIWUDGOLJRGY-UHFFFAOYSA-N 438.631 4.542 30 10 IJEE C=CCN(C[C@H](NCCC)c1nc(CCC)[nH]c1Br)C(=O)OC(C)(C)C 2087655177 MNXUQPUHGCGUDO-AWEZNQCLSA-N 429.403 4.589 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](Nc3ccc(C#N)c(Br)c3F)CC[C@H]2C1 2162386130 YFFXFSKPTGKMHS-ZNMIVQPWSA-N 438.341 4.907 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1cc(Br)cc(F)c1C#N 2174767143 GUCFTZSPQGZYSZ-SFHVURJKSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@]1(C)C(=O)Nc1ccc(C#N)cc1Br 2181044195 GMFNXJUMOKTMEC-JXFKEZNVSA-N 436.350 4.733 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)c2ccc(OC)c(Br)c2OC)C1 2183011393 NMLYLTGYQNHWQT-UHFFFAOYSA-N 440.334 4.510 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(Br)c(OC)c1 2192140534 UHQRMMSFVYRWRK-FCHUYYIVSA-N 434.374 4.632 30 10 IJEE CCCN[C@@](C#N)(COc1ccc(OCc2ccccc2)cc1)C1(Br)CC1 2206627765 GXUXOWWJOZTLIV-QFIPXVFZSA-N 429.358 4.834 30 10 IJEE CCN[C@@H](C#CCOC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2227792315 RRIMZCDGESVKLV-LSYYVWMOSA-N 445.559 4.506 30 10 IJEE Cc1ccc(C(=O)[C@H](C#N)c2ccc(Br)cc2)cc1I 2232424902 WQAPTDKWFVXMTK-CQSZACIVSA-N 440.078 4.852 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2235734355 WNTNNGAVXNZSRT-DENIHFKCSA-N 435.406 4.862 30 10 IJEE C#CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243926376 IVNGHQJOSCULNR-CLJLJLNGSA-N 444.575 4.858 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)NCc2ccc(OCc3ccccc3)cc2)OC1(C)C 2267218049 PPQWCMRJKLFYCI-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](Nc2c(Br)cccc2C#N)(C(F)(F)F)C1 2269739827 XWYKIBQERXFUGZ-INIZCTEOSA-N 434.256 4.675 30 10 IJEE C=CC[C@]1(COc2ncc(F)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2272227109 BFQCDSWNQLOPPA-IBGZPJMESA-N 429.330 4.955 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(OC)c(OC)c2)C1=O 2294017448 RXEUDUFFMCPBJP-UHFFFAOYSA-N 445.924 4.901 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@](N)(C#Cc1cccc(Br)c1)C2 2296219730 RCESCHHXUZBOPF-JOCHJYFZSA-N 433.390 4.699 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2cccc(Br)c2)CC2(CCCC2)C1 2296223839 DKUTXOYGLZVJGO-UHFFFAOYSA-N 432.358 4.987 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCC[C@H]1NC(=O)OC(C)(C)C 2296279367 OFQNLGHOUBDYBP-WOIUINJBSA-N 435.406 4.862 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)C(=O)C=Cc1ccc(F)c(Br)c1 2318788162 DRRZNGIHQYPPSC-UHFFFAOYSA-N 426.669 4.780 30 10 IJEE COc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c(Br)c1OCCO 2323259382 XRMSCCYRTOSSIW-UHFFFAOYSA-N 433.342 4.959 30 10 IJEE COc1cc(C=Nn2c(S)nnc2Cc2ccccc2)ccc1OCc1ccc(C)cc1 2323511366 SMAIHTWRCNMXKG-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cccn1C 2328667329 KQLNYXAOPSPGQS-UHFFFAOYSA-N 445.592 4.893 30 10 IJEE CCSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328730015 DCKDRVMAKHAOHU-UHFFFAOYSA-N 445.932 4.846 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)ccc1O 2330910670 JXVPCZJLQZDVTE-IBGZPJMESA-N 442.516 4.548 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccccc1F 2331351086 PYJBCOPRJHNATH-KRWDZBQOSA-N 439.560 4.612 30 10 IJEE CC1(C)OB(c2cc(Oc3cc(Cl)cc(Br)c3)ncc2F)OC1(C)C 2345683890 SDSAZOCJQZNLMP-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(OC)ncc(Br)c1C 2370565020 IBYBMNONXFKVQM-DOTOQJQBSA-N 442.398 4.671 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(N3Cc4ccc(OC)c(OC)c4C3=O)cc2)cc1 20247864 FMYOMTWGAPODPH-MKMNVTDBSA-N 429.472 4.769 30 10 IJEE Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)cc1[N+](=O)[O-] 21254667 MMKGMJMSTWBPTO-ICSRJNTNSA-N 434.492 4.695 30 10 IJEE Cc1cccc(C(=O)/N=C(\NCCc2c(C)nn(C)c2C)Nc2ccc(C(C)C)cc2)c1 32973612 DWIYKPWYJSBKHF-UHFFFAOYSA-N 431.584 4.909 30 10 IJEE COc1ccc(OC)c(/C=C\C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 34954358 XQQONFWAGYUQBA-QPEQYQDCSA-N 433.416 4.727 30 10 IJEE COc1ccc(-n2c(SCC(=O)N(CC#N)c3ccccc3)nc3ccccc32)cc1 36822249 WJYVSBFILUQTCR-UHFFFAOYSA-N 428.517 4.683 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ncccn2)cc1 39838362 OWZAHSMBZGNZJJ-FQEVSTJZSA-N 445.862 4.551 30 10 IJEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccco3)C4=O)C2)cc1OC 41587437 XSXPIWBZRQOSKD-QRVIBDJDSA-N 447.487 4.616 30 10 IJEE O=S(=O)(c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1)N1CCOCC1 100439380 JEQQTALAHRRLKZ-NLRVBDNBSA-N 430.529 4.765 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccn2)cc1 169994972 WOYORBLBGGPHBI-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)c1 170047949 KXNULAPVQRBKTR-QHCPKHFHSA-N 428.488 4.544 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2C)c1 170086486 ZXDXQPLTOXJIIV-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccco2)cc1 170095654 JRQLKKFFEMCVPY-QFIPXVFZSA-N 430.460 4.583 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccco2)s1 170096926 GTVJYDWLBOCXDV-SFHVURJKSA-N 442.924 4.827 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)[C@H]3c3cccs3)oc12 170162997 SJKAACBCZLTGRI-FQEVSTJZSA-N 446.484 4.676 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccnc1 170187251 JFTBDILNUSYPIW-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccncc2)cc1 170205970 BQCMUDSOQKUQEJ-QHCPKHFHSA-N 439.471 4.523 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1cccc2ccccc12 170221053 WCZXACSWWBZWQV-HSZRJFAPSA-N 431.488 4.845 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)c1 170251275 SASIVJWJGQBDNM-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)c1 170282377 JALUGZLJHRDKMU-LJQANCHMSA-N 427.815 4.864 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cc(F)ccc4F)[C@H]3c3ccco3)ccc2O1 170290971 LGMJSUOHQBICMG-GTJPDFRWSA-N 437.398 4.664 30 10 IJEE C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)c1ccc(OC)cc1 248036074 SGHZRTPZQGLDSD-QPPBQGQZSA-N 433.529 4.734 30 10 IJEE N#Cc1ccnc(Nc2ccc(Br)c(I)c2)c1Cl 302302636 BPBPABXIIYLRQW-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 303839054 IRJDBZBSNSCQAD-DLBZAZTESA-N 427.344 4.875 30 10 IJEE C#CCN(C[C@@H](Cc1cc(Cl)ccc1Br)NCCC)C(=O)OC(C)(C)C 407491137 GJBBWQZIHAFQCJ-QGZVFWFLSA-N 443.813 4.884 30 10 IJEE C=CCn1c(SC[C@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1ccccc1F 443469588 XIWRTKREEDFKET-OAHLLOKOSA-N 437.462 4.985 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2cccc(-c3cccnc3)c2)nnc1-c1ccco1 464176203 MXCOXYFFNNGTID-UHFFFAOYSA-N 445.548 4.585 30 10 IJEE C=CCN(C(=O)Cc1sc(C)nc1-c1ccc(C)cc1)c1nc(C(=O)OCC)cs1 501937622 JFNHJMFGMCDLTR-UHFFFAOYSA-N 441.578 4.822 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508859421 VRSZTQOMDRNBOR-LJQANCHMSA-N 436.560 4.550 30 10 IJEE CCN(C1=C(Sc2ccccc2)C(=O)N(c2ccccc2C#N)C1=O)c1ccccc1 526682340 CPEIZCJGTYDAHK-UHFFFAOYSA-N 425.513 4.962 30 10 IJEE C[C@H](NC(=O)Nc1cccc(N2CCOCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543872706 ZTPSHJPVDLLDPN-IBGZPJMESA-N 426.520 4.945 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](c2cccs2)C1 549292868 XYFFKTRHJQSNLZ-FQEVSTJZSA-N 433.537 4.816 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 559005478 LJKROMQUPJFBMP-BEFAXECRSA-N 442.361 4.578 30 10 IJEE COc1ccc(OC)c(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(C)c(C)c2)c1 586209257 AGXKFTDHHHVGAN-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3nc(-c4ccsc4)oc3C)nnc12 588349256 IEWZIGLXMSTYEG-UHFFFAOYSA-N 435.534 4.547 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)s2)cs1 609211295 FLQUHZZSCQROOL-UHFFFAOYSA-N 438.578 4.805 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)c(Br)c1)c1ccccc1 721343961 UBVYXERJDHKPMA-LBPRGKRZSA-N 426.051 4.544 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(C3CCC3)C2=O)cc1 730461568 PVDOUHMBPDLQJR-FQEVSTJZSA-N 439.512 4.541 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(F)c(Cl)c1)[n+]1cccc(O)c1 736272505 AITJZQFTQVVOLQ-UHFFFAOYSA-O 426.880 4.667 30 10 IJEE Brc1cc(Br)c(NN=C2CCCOC2)c(Br)c1 737440614 NAJKVQVYJRZVOY-UHFFFAOYSA-N 426.934 4.552 30 10 IJEE C#CCN(C(=O)N[C@H](CC)c1nccs1)[C@@H]1CCOc2ccc(Br)cc21 739048593 DADQLOZMZOXSFX-HZPDHXFCSA-N 434.359 4.525 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc2ccccc2c1 790280812 KYMXCCGDTFFASO-HXUWFJFHSA-N 445.548 4.556 30 10 IJEE O=C(N1CCO[C@@H](C(F)F)C1)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 801010578 ATGGTPPWSNUACX-HJTIXJJKSA-N 449.382 4.601 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/COc3c(OC)cccc3C2=O)cc1OC 920066990 ZSVPIYZYVSBBRB-ZROIWOOFSA-N 431.282 4.690 30 10 IJEE CCc1ccc(-c2cc(C(F)(F)F)nc(NN=Cc3ccn(CC(F)(F)F)n3)n2)cc1 1081014516 VGHVOBOGLADVFI-UHFFFAOYSA-N 442.367 4.930 30 10 IJEE C=CCOc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 1125422994 XXMTUACVEDXJAW-CPNJWEJPSA-N 442.537 4.621 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Cl)c(Br)cc1OC 1125487377 RNLCWUIQJSAOGK-UHFFFAOYSA-N 444.716 4.860 30 10 IJEE C=CCCC[C@H](NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccccc1 1132946374 QBWGEPHYJORDHA-IBGZPJMESA-N 431.319 4.803 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)Nc1cc(-c2cccs2)nn1Cc1ccccc1 1161254049 BDMCAHSKXXKMFF-UHFFFAOYSA-N 444.516 4.558 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@H](C(=O)OCC)c1ccc(Br)cc1F 1167251131 AXSNDTRFSXRUHK-FQEVSTJZSA-N 431.305 4.752 30 10 IJEE C=CCN(C(=O)CN(C)CCCOC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1167258485 BKKRRFBGELNUAP-UHFFFAOYSA-N 428.385 4.604 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(OCCN(C)C)c(Cl)c1 1178109660 VDCUWNRESYXFBY-UHFFFAOYSA-N 437.765 4.667 30 10 IJEE C[C@@H]1Cc2cc(-c3ccc(CNS(=O)(=O)c4cccc(Cl)c4C#N)cc3)ccc2O1 1188893701 DSRVOAHZYSUYAO-OAHLLOKOSA-N 438.936 4.681 30 10 IJEE C=CCn1c(SCC(C)(C)CN2C(=O)c3ccccc3C2=O)nnc1-c1cccs1 1188916149 UVCXJZPOYLYJNZ-UHFFFAOYSA-N 438.578 4.607 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H]2CCC[C@H]2Cc2ccccc2)n(-c2ccccc2)c1C 1193496246 FYTGXYSQCODCBD-WIOPSUGQSA-N 426.564 4.905 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2c3ccccc3C[C@H]2C)cc1OCC 1199800619 HMOHCWNVJLPXIL-QGZVFWFLSA-N 445.401 4.953 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2ccccc2Oc2ccccc2)cc1C(F)(F)F 1208682503 CQYYRMKUWOCZMY-UHFFFAOYSA-N 432.423 4.848 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(Cl)cc1OC 1219084006 DAEVPUJRKQXRJZ-UHFFFAOYSA-N 425.710 4.998 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)c1ccccc1 1246653021 LKULOTBIWRTDLR-XMMPIXPASA-N 437.559 4.710 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc3nc(NC(=O)CCC)sc3c2)c(OC)c1 1264656100 APWJSFIRQZCDCX-UHFFFAOYSA-N 439.537 4.790 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1c(F)cc(C#N)cc1F 1266597383 GVYFWRPPZYWXIW-KRWDZBQOSA-N 437.412 4.986 30 10 IJEE CCC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1267878698 AFLLUUWKLPCXKU-GOSISDBHSA-N 439.943 4.908 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCc1cccc(C)n1 1286279795 XPWZWZALYFDAMC-RBUKOAKNSA-N 437.975 4.866 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@H](F)C1 1286400402 FOPIHACILQYCGD-VXKWHMMOSA-N 429.543 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1286546389 IWYIEQPLJRRMQZ-NHTMILBNSA-N 443.680 4.864 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(CCC)C1 1286749497 UDSYMNMJAKHEKB-PZJWPPBQSA-N 429.634 4.506 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1Cc1c(C)nn(-c2ccccc2)c1C 1286765275 BBFZYBQYXUVSNL-UHFFFAOYSA-N 430.556 4.519 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC(C)C)C1CCCC1 1286774715 DUSSNPSGJYZSJL-UHFFFAOYSA-N 431.625 4.984 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CC2(C)C)C1 1286805089 QGXPYJLXBROYAZ-ZBFHGGJFSA-N 449.368 4.674 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)c1ccccn1 1286960007 BTQWLNGYUSJOGG-MRXNPFEDSA-N 440.498 4.515 30 10 IJEE Cc1nnsc1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CCC(C)C 1289238866 AMVPUDNLVUWHPK-UHFFFAOYSA-N 447.971 4.712 30 10 IJEE Cc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCC(CC#N)CC2)N(C)C)cc1 1289484219 BMFDSJDUTTVGDB-DEOSSOPVSA-N 434.632 4.752 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1csc(CC)n1 1300367168 XUFKRSVZIWAFFI-UHFFFAOYSA-N 428.005 4.981 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1300371282 BDUBCXYEPTUERB-FQEVSTJZSA-N 440.498 4.798 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1300513505 YMJCZFITHADDQH-ARNLJNQMSA-N 445.655 4.649 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1csc(C)c1 1300569692 QJGJTLNDCPNOQY-UHFFFAOYSA-N 448.592 4.624 30 10 IJEE C#CCSCCn1c(Nc2ccn(C)n2)nnc1[C@H](C)Oc1c(C)cc(Cl)cc1C 1300778012 JMZXIAUVHZZBLT-INIZCTEOSA-N 444.992 4.532 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(SC)CCOCC1 1301272387 GSDNKZKYGHKJKN-LJQANCHMSA-N 430.618 4.569 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cccc(Br)n1 1301401385 ARAXVCZBVXFIHE-UHFFFAOYSA-N 444.377 4.610 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](C)OC)C1 1301543589 MTTWJTMMQWDHSC-HUUCEWRRSA-N 432.977 4.629 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cscc1C)[C@@H]1CC[C@@H](C)C1 1301747944 HQNATOSCCRBGPI-VGOFRKELSA-N 435.597 4.876 30 10 IJEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)[C@@H]1CCCc2ccccc21 1304067734 RNPXMWPKNUXHTR-HYBUGGRVSA-N 433.527 4.609 30 10 IJEE Cc1cc(F)ccc1N(CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(C#N)cc1 1307553147 GJGMOACESUOVGE-UHFFFAOYSA-N 433.531 4.682 30 10 IJEE C=CC[C@H](CO)CNCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1308353621 MBHWRSBXXWVANR-KRWDZBQOSA-N 426.358 4.576 30 10 IJEE C#CCN(CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCOc2ccc(Br)cc21 1308634718 QNJZUEJMVZRMOE-KRWDZBQOSA-N 437.378 4.511 30 10 IJEE C=CCOc1ccccc1CNC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1311434987 DSKVWVOLTZTTTL-HSZRJFAPSA-N 447.604 4.912 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ccccc2)C1 1321456951 HDBKASSPAMBRTL-PZJWPPBQSA-N 436.531 4.581 30 10 IJEE N#Cc1ccc(OCc2nnc(Cc3ccc(OCCOc4ccccc4)cc3)o2)cc1 1326962370 RFFIGWWPJAIFGD-UHFFFAOYSA-N 427.460 4.569 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)c(OC)c1 1350200101 PQAHBMWUQODSHG-UHFFFAOYSA-N 442.512 4.797 30 10 IJEE C=CCN(C(=O)[C@@H]1CCOc2c(F)cccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1355119881 MSOIJSKXIUJESF-QGZVFWFLSA-N 439.468 4.943 30 10 IJEE COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 1357984725 GBSBTCZJNSCXIS-FQEVSTJZSA-N 443.400 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCn1cc(Cl)cn1 1358875163 KCDNTKGPVUEHAO-ZDUSSCGKSA-N 445.379 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCC(F)(F)C1 1358881231 AZBAYIZNFMXSDY-SJORKVTESA-N 432.515 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H](c1ccsc1)N(CC)CC 1358882600 DDXSCBQUDCHQPI-GHTZIAJQSA-N 437.613 4.556 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C/c1ccccc1 1358887746 BLAWEOWLDWQIGE-BQOPVLSCSA-N 449.599 4.564 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](c1ccc(C)cc1)N(C)C 1358941808 YTEMXIAUXYLNBI-KNQAVFIVSA-N 447.652 4.812 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCCS1 1358988022 ZPMNKXBVFHDVMY-QUCCMNQESA-N 438.666 4.880 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C(C)C)CC1 1358988111 CRAVSCZEGMLIKN-UHFFFAOYSA-N 439.401 4.915 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(SCC)c1 1359016217 UHEALQSSJLNXOV-UHFFFAOYSA-N 446.555 4.607 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H](OCC)C(C)C 1359074948 XZEDKNOYMITJCA-FBROZUCGSA-N 430.637 4.640 30 10 IJEE C=C(Br)Cn1c(N(CCOC)CC(C)C)nnc1C1(c2ccccc2)CCC1 1359088382 JIKYGMBPAQEIIQ-UHFFFAOYSA-N 447.421 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1359100583 DGPMXFGLNWBTHP-JBPLPALLSA-N 444.645 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1359100889 HSLOUXODYMBMHF-LEDOBFOHSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N(C)C1CC1 1359108911 HZMFMVHZZSOAAF-AWEZNQCLSA-N 438.439 4.654 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1359117494 CPOUAZGELMMNIC-SFTDATJTSA-N 433.556 4.664 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCNc2ccccn2)CC1 1359168101 HZMNCZOZUIOKFY-UHFFFAOYSA-N 432.572 4.528 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCCN2CCCC2)CC1 1359168538 YWFZPOZZIJWKTN-UHFFFAOYSA-N 437.632 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1359184909 FKHYPYHEWYDWRM-OAHLLOKOSA-N 434.943 4.729 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1359202848 CTUOFMZZVIHLJF-AWEZNQCLSA-N 429.512 4.640 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN1CCC 1359260582 IYOWZFOBAWAWHH-JTHBVZDNSA-N 441.595 4.726 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1359273934 UFGZOKDLOGCAJH-SANMLTNESA-N 445.567 4.646 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(C)(C)O)c1 1359274318 JGIQNNPIYRFNJD-FGZHOGPDSA-N 438.616 4.651 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)cc1 1440520212 WICJESVNENUDOC-QGZVFWFLSA-N 425.367 4.657 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3cccs3)C(CC)CC)ccc2c1=O 1442078242 KLJZTLXGBJENDU-LJQANCHMSA-N 427.595 4.840 30 10 IJEE C=CC[C@H](CC)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1448567269 XMCULXMCWLWNGZ-OXJNMPFZSA-N 425.367 4.660 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN(c3cccc(Cl)c3C)CC2)CCCN1C(=O)OC(C)(C)C 1463311805 YVQITTTUHJTYBL-DEOSSOPVSA-N 448.007 4.643 30 10 IJEE N#Cc1ccc(F)c(CNC(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)c1 1471350398 GGZSRFWDMDYLBS-IBGZPJMESA-N 430.321 4.767 30 10 IJEE C=CCc1cc(CNC(=O)NCCCc2cccc(C(F)(F)F)c2)cc(OC)c1OC 1477619543 IXXKDBZOQVWPME-UHFFFAOYSA-N 436.474 4.883 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 1478273405 WZVUULJRCYKTLH-PMACEKPBSA-N 431.458 4.595 30 10 IJEE C=CC[C@@H](CC)NC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1478537475 BZYRQHMQDLDGLI-KWZJRMENSA-N 442.368 4.684 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)n1 1492638548 IBKIAYZPPKPWJM-INIZCTEOSA-N 448.552 4.527 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(OC)c3)nnc2N2CCC(C#N)CC2)on1 1496679205 HUYLHRCZEHANKY-UHFFFAOYSA-N 434.544 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCCOC(C)C 1507764399 LXWAFWVJMLBWHL-YADARESESA-N 428.552 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1507768548 SPEBBWAHEPCFMA-AFMDSPMNSA-N 433.600 4.504 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1507857010 NMELKGZCCAKBCF-LJQANCHMSA-N 445.976 4.821 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC1CC(F)(F)C1 1507916520 ALOYNDZYILQAOP-LJQANCHMSA-N 432.515 4.874 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCn1cccn1)c1ccccc1 1507923729 BSOUKJQYCQPMCE-NRFANRHFSA-N 447.974 4.686 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1507926516 TXDLXMIPYSOOMC-OAQYLSRUSA-N 446.530 4.755 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1507926714 UFGZXRXLIJMZKM-FQEVSTJZSA-N 429.996 4.840 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1507927587 YYKZDMSVLBRSGE-KDURUIRLSA-N 441.576 4.506 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1507929633 RQKKQSCVVYCMDH-KRWDZBQOSA-N 447.986 4.903 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2OCC)CC1 1507931063 QNAPXUVDGWNPFC-UHFFFAOYSA-N 446.599 4.730 30 10 IJEE C=CCCCn1c(COCC)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1507956612 QITOHSICJQKRSW-CQSZACIVSA-N 429.512 4.640 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507958337 BCXJPKSLMNMINX-FQEVSTJZSA-N 444.023 4.503 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC[C@H]1CCO[C@H](C)C1 1507999854 RFEAQSDPTRDCKJ-RTWAWAEBSA-N 442.567 4.610 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)Cc1ncc(CC)s1 1508103741 DUKCCLHAJAXPPL-UHFFFAOYSA-N 448.596 4.552 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 1514054367 FBAYETGTMWMDIO-NQIIRXRSSA-N 434.613 4.808 30 10 IJEE Cc1nc(SCC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c(C#N)c(C)c1C 1516470742 HRJRGUUJYWVUKG-UHFFFAOYSA-N 433.499 4.837 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@@H](c2cccc(F)c2)C1 1519093755 GGDNCRGPBHQIPB-HXUWFJFHSA-N 443.906 4.785 30 10 IJEE C=CCN(C(=O)c1ccc([C@@H]2CCC(=O)N2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1522118369 CLGNZNBPFOIWPX-IBGZPJMESA-N 448.504 4.502 30 10 IJEE CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc(C#N)s2)cc1 1524475760 HWOGFFYHQBWAQH-IBGZPJMESA-N 425.554 4.616 30 10 IJEE C=CCC[C@H](NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)c1ccc(C(F)(F)F)cc1 1526560178 HVJHFTZJFJLYSG-INIZCTEOSA-N 435.446 4.888 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc([N+](=O)[O-])c(OCC)c2)s1 1528240948 BPOSFYWMWRQDKG-UHFFFAOYSA-N 427.935 4.784 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C 1528684892 BSFXPDPHHSJYLN-UHFFFAOYSA-N 449.551 4.632 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)c1 1530629306 AYIFZBMXXYZFKF-UHFFFAOYSA-N 426.358 4.629 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC23CC3)c1 1531356718 SKBXJFGNZVMBEE-NRFANRHFSA-N 444.984 4.784 30 10 IJEE C#CCCCCC(=O)Nc1nc(-c2ccc(Br)cc2)c(C(=O)OCC)s1 1533619665 COOVKTWBDUQGME-UHFFFAOYSA-N 435.343 4.881 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2OCCF)nnc1-c1ccc(Cl)cc1 1533935529 PVHDDCAWRDYOKD-UHFFFAOYSA-N 446.935 4.864 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c(OC)c1 1535343492 KXLPIINUWCCQQM-UHFFFAOYSA-N 432.307 4.934 30 10 IJEE C#CCN(C(=O)c1ncc(Br)cc1Br)[C@H]1CCCc2ccccc21 1536280432 WNKKMKDFRZXUMM-KRWDZBQOSA-N 448.158 4.760 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)cc2)CC1 1537407518 BTWNOOWQSNHGHJ-UHFFFAOYSA-N 435.446 4.544 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCN(CCC)C1 1539391650 GPSWEHXNIGPOLZ-QHCPKHFHSA-N 437.607 4.522 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1539498482 WYBXFSLERVQLJU-UYAOXDASSA-N 434.613 4.717 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N(CC)[C@@H](C)C1CCC1 1539504987 SELCDPQTCFQUPX-INIZCTEOSA-N 433.021 4.988 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCCc1ccnc(C(C)(C)C)n1 1539549836 VKFGQVOCBUWVFU-AREMUKBSSA-N 446.574 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCc2cccnc21 1539658820 BUSLPJBSLZPCTN-OAQYLSRUSA-N 447.583 4.880 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1539909983 RUEDIHVUIKYHRZ-HXOBKFHXSA-N 430.980 4.585 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C)c1ccccc1 1539932275 ZYOUKEXJGSHAQQ-CEMLEFRQSA-N 435.616 4.649 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1540035623 FMVVXELPZZCSRG-OAQYLSRUSA-N 440.563 4.767 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC1(COC)CCCC1)C1CC1 1540094089 BQUSWMWAWQMVHA-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@H]1C(=C)C 1540119527 KUTSEBJERBSNCH-VWNXMTODSA-N 445.567 4.523 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540121612 LILMHVRTBZPFTE-JHDGKUDLSA-N 442.567 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)[C@H](C)CC 1540122665 YNKZXVCSZSCJEB-IQGLISFBSA-N 433.556 4.708 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCN1CCCCC1 1540162306 OIMMDDZGGDMCQO-UHFFFAOYSA-N 448.384 4.511 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCOC[C@@H]2C)C1 1540885765 OXWCZSKSPXWJRH-XKCSPQBFSA-N 438.616 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2[C@@H]2C[C@H]2C)C1 1540895158 MIRKLMVSLZAJSJ-NSISKUIASA-N 430.980 4.614 30 10 IJEE N#Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)cc1 1546074103 HOEGWQDOFXPAPL-JOCHJYFZSA-N 438.314 4.501 30 10 IJEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(CC)CCCC2)cc1OC 1547949143 CKLWMPHMIXWWEA-XMMPIXPASA-N 441.551 4.765 30 10 IJEE CS[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1555851618 DQXYHZQQWAZCMV-GCJKJVERSA-N 426.565 4.646 30 10 IJEE C=CCC1(NC(=O)c2cc3sc(Nc4ccccc4OC)nc3s2)CCOCC1 1557420759 QSVKGNFRIFBDPR-UHFFFAOYSA-N 429.567 4.965 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 1559613647 CMGMNFAROQNXHL-DEOSSOPVSA-N 442.588 4.659 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1562071013 ZXNVTWUMNQVIJW-NTLWEQJWSA-N 433.618 4.513 30 10 IJEE C=CC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1562128833 OBQADRJVEZPREP-GOSISDBHSA-N 445.585 4.904 30 10 IJEE CC(C)Oc1cccc([C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1585055954 HJYNXFOUVLAPSF-YJBOKZPZSA-N 426.900 4.656 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC2(CCCCC2)O1 1587562389 OOQQPBQWHHFHLC-SLFFLAALSA-N 440.563 4.897 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(C)CCCS1 1587563249 ZIJCXRKKWBPGJC-BSRJHKFKSA-N 428.602 4.560 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1587777958 WXNORZGWMMMDOR-SANMLTNESA-N 447.671 4.959 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1587813016 GUIZTCMMFUFUJR-VXKWHMMOSA-N 444.627 4.685 30 10 IJEE CC#CCCCC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1587906439 YAFBOSHWHMCLBC-UHFFFAOYSA-N 430.548 4.897 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1594013198 CSBBCVZQSKDTCW-KOSHJBKYSA-N 428.552 4.655 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cc(C)no2)CC1 1594208282 FEVADDZNKFEWHL-UHFFFAOYSA-N 434.363 4.516 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1594241469 RDTPUEYIDUATGJ-WZONZLPQSA-N 428.527 4.531 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1594582390 PQRFSOBOVNRZHE-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1594720233 GKSAJMYLYBUBCX-UHFFFAOYSA-N 433.400 4.936 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[C@H]1C[C@H](F)C1)C1CC1 1595055024 XFPOWCGLFNXRAI-FHWLQOOXSA-N 447.599 4.686 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C)C1 1595845013 LRPZTJVHVPWHQH-AWEZNQCLSA-N 435.018 4.958 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 1596342954 GAPDOUNHHHEKBG-FPOVZHCZSA-N 449.494 4.569 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1c(C)nc2cc(C)nn2c1C 1596874232 DKYFMKKVIIXQEJ-UHFFFAOYSA-N 443.345 4.553 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)C(=O)OC(C)(C)C 1596887759 XMIZCENOPKVWFA-CQSZACIVSA-N 443.396 4.781 30 10 IJEE CCS[C@H](C)C[C@H]1CC(=O)/C(=C/Nc2ccc(Cl)c(Cl)c2)C(=O)[C@H]1C(=O)OC 1614297240 UXXDMMKKPZYWAB-SZANPDJXSA-N 444.380 4.768 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1 1618597779 POJDTRFHUGTWAK-URAOTHONSA-N 437.483 4.894 30 10 IJEE CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 1622768620 CWFFGJPCSGPLRD-UHFFFAOYSA-N 449.938 4.914 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2cc(Br)ccc2Br)c1 1623086229 AXGQCLJAOPRFFV-UHFFFAOYSA-N 438.119 4.545 30 10 IJEE C=CCc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc(OC)c1OC 1624446144 ZNIPRKOLEWANAL-HXUWFJFHSA-N 446.950 4.792 30 10 IJEE C#C[C@H](NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O)c1ccc(F)cc1 1628258423 XUDYMFNZIJFPPU-KRWDZBQOSA-N 428.872 4.603 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1631821664 VFIPBBIXDKFJSL-UHFFFAOYSA-N 428.389 4.654 30 10 IJEE C=CCc1cc(C(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc(OC)c1OC 1635669323 IDUZVFKAZGWANT-IBGZPJMESA-N 446.588 4.588 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 1638625997 ALKRASPHBRICLK-RBZFPXEDSA-N 433.455 4.528 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2sc3c(c2c1=O)CCC3 1640684032 OSRXKEXWVXMFFH-KLZNWCGWSA-N 445.654 4.554 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(Br)cc(I)c2C)C1 1641029450 DVERVQSHCVVTGU-GFCCVEGCSA-N 448.142 4.790 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(C)Cc2ccc(Cl)c(F)c2)c1 1648883645 CJVWWCZVZLJBCP-HSZRJFAPSA-N 447.959 4.514 30 10 IJEE C=CCn1c(SCC(C)(C)C(=O)OCC)nc2sc(-c3ccccc3)cc2c1=O 1651730454 WAOZOCZMTDUNFN-UHFFFAOYSA-N 428.579 4.992 30 10 IJEE CC(C)c1sc(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)nc1-c1ccccc1 1655732397 AAAOKWYSQGUVGE-NRFANRHFSA-N 446.576 4.817 30 10 IJEE CN1CC[C@H](CNCc2cc(C#N)ccc2Br)[C@@H]1c1ccc(Cl)c(F)c1 1656020596 FDLNKGWQVYHYFR-QRWLVFNGSA-N 436.756 4.896 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCc3cc(O)ccc3C2)cc1OCC 1656168330 DFZKTTBFVBWYJF-SFHVURJKSA-N 432.358 4.765 30 10 IJEE Cn1c(SCC(=O)[C@@H](C#N)c2ccccc2)nc2scc(-c3cccs3)c2c1=O 1656176760 GSVXGDNFTARDAB-AWEZNQCLSA-N 437.571 4.692 30 10 IJEE Cc1cc(C#N)cc(NC(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)c1 1662642393 GTCNAQPXDHIARV-DEOSSOPVSA-N 447.560 4.798 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(F)c(F)c1 1662886792 MITRKNBLGZNERM-HXUWFJFHSA-N 437.899 4.708 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1669073851 VKVPNJPBAPBGOS-UHFFFAOYSA-N 441.575 4.868 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1F 1674035444 AEYPGNPXABGGFF-AUSIDOKSSA-N 449.954 4.586 30 10 IJEE C=CCC1(NC(=O)Nc2ccnn2Cc2ccc(SC(F)(F)F)cc2)CCOCC1 1676771079 VUGCTGBTMQCGBK-UHFFFAOYSA-N 440.491 4.790 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@H]1COc1ccc(Br)cc1)c1ccncc1 1679334985 OXGJKRKROKFFOC-ICSRJNTNSA-N 430.346 4.714 30 10 IJEE N#Cc1nc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)ccc1Br 1679661062 AKNKUBFLUMNPSZ-GFCCVEGCSA-N 431.187 4.670 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 1681755568 BDFKEOMEKJEFRK-XOBRGWDASA-N 440.341 4.532 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1)c1ccccc1 1681945907 RXYZGIGSQMEJNS-FPOVZHCZSA-N 425.504 4.724 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CCCC1 1687039611 MPKYWGOOLNKJNL-JOCHJYFZSA-N 427.589 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1689829012 UBIGDMGPFLPWRE-ZVVDCOBXSA-N 428.552 4.610 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N(C)Cc1ccc(Br)o1 1689900899 UQEYTIJAPDSGQV-UHFFFAOYSA-N 441.373 4.859 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1cccc(OC)c1 1689943486 SOSBJSPAPCGUOE-XPWALMASSA-N 436.600 4.960 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](OC)[C@@H](C)CC 1689952932 ZSPQEMVLMGVASB-QFBILLFUSA-N 426.561 4.943 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1690161410 FARGWGBNLGJGBR-INIZCTEOSA-N 429.615 4.738 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(CC)s1 1690207715 JADRXIVPRSZVEF-HSZRJFAPSA-N 426.536 4.811 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)CCC(F)(F)F 1690251042 OPQCJLMJJNEKMH-PXNSSMCTSA-N 438.494 4.535 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(C)C)C1)c1ccccc1 1690441697 FCENHDWSIYRPRR-VXKWHMMOSA-N 444.583 4.768 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1Cc1csc(CC)n1 1690559564 HAHUBXATQGFKBK-UHFFFAOYSA-N 434.613 4.998 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccccc1COC 1690576118 NRWVSKUNLAMFBM-UHFFFAOYSA-N 431.565 4.789 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCO1 1690579217 ITBVTMUBZZTONJ-HXUWFJFHSA-N 442.560 4.819 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1Br 1690587133 ZUQKBZCDOZAGQJ-UHFFFAOYSA-N 440.370 4.867 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1690598809 AIBWWDVGUDFHGF-XUZZJYLKSA-N 449.624 4.980 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCO[C@H](C)C1 1690605661 SNQCYDBJIZNAMZ-WOJBJXKFSA-N 436.556 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)N[C@H](C)c2ccccc2)C1 1690699918 LFDBWJONLSKFCR-IFMALSPDSA-N 439.648 4.777 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccco1 1690735647 FBNLOCKQSCAUNL-ZDUSSCGKSA-N 436.379 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](c1cccnc1)C(C)C 1705479640 KLOONUPIYSEQTC-UGKGYDQZSA-N 439.567 4.628 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCSC(F)(F)F 1705482723 FWGCSRZWJYIACB-CYBMUJFWSA-N 428.549 4.986 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1csc(CC)n1 1705502928 KXMFNMNSKYXYOA-GOSISDBHSA-N 437.613 4.814 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccc(Br)o1 1705543470 IAEIHSANTZYSGQ-UHFFFAOYSA-N 443.345 4.571 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[C@@H]1CC 1705576113 GKOXFIKEXDLELM-HKUYNNGSSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1705604754 STKSGZVGDOLRAT-LJQANCHMSA-N 444.023 4.796 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCC[C@H]1C 1705605597 ORABFZIGBNQMGX-IVZQSRNASA-N 428.989 4.824 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCc1ncc(CC)s1 1705619357 OCSOACKRROAHNR-UHFFFAOYSA-N 449.555 4.887 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCOC(C)C 1705677573 UMHUQLRPIPMIEK-OAQYLSRUSA-N 437.371 4.581 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(OC)C1 1705680706 FQEUUTVAJQQNJV-NQIIRXRSSA-N 433.394 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 1705704426 UJMLWIOYAVNJMX-BXWFABGCSA-N 438.469 4.844 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H]1CCCOC1 1705722362 IGZFRCTWLFUQHA-AWEZNQCLSA-N 439.785 4.800 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1705798576 WHFKGUWPHJZGPS-HNVPCBRESA-N 438.616 4.915 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1C[C@@H]1CCCc2cccnc21 1705858579 YQBGDZCXLJGXAO-QHCPKHFHSA-N 426.568 4.981 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nncn1C 1705865648 PRVDVPDYWKNYKM-UHFFFAOYSA-N 447.612 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCC(C)CC1 1705871111 YDNGJJQNKIKCSL-NRFANRHFSA-N 445.615 4.634 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(Cl)c1C 1705882952 QIJODLADKAFPEE-UHFFFAOYSA-N 432.355 4.642 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 1705916886 SFSUYBRAWLYNTI-RHSMWYFYSA-N 449.386 4.576 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1706074679 CHTQAGAZGZCIAL-MOPGFXCFSA-N 446.640 4.815 30 10 IJEE CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CCCC1 1706959552 DANFNVLBBCXKIU-OAQYLSRUSA-N 448.615 4.528 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1ccco1 1722341351 WMJNRFDWDCNCQJ-MSOLQXFVSA-N 427.549 4.554 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCO[C@@H](C)C1 1722421853 OSFMELWITBFGBV-JTAQYXEDSA-N 440.563 4.504 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1722617642 OGSWXOBSLCWYED-DHLKQENFSA-N 431.584 4.834 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722708287 OTABFAVMCDDRQH-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1c1ccco1 1722735516 QPINLGMRSMQKIA-MRXNPFEDSA-N 448.390 4.889 30 10 IJEE CO[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1729863744 BNZBAMDWJYYBMJ-YCRPNKLZSA-N 447.967 4.926 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1cccs1 1740595417 SWAZTLBDHJDXPS-UHFFFAOYSA-N 445.386 4.731 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCc2cccnc21 1740599466 BCRUUIXXBGBEJP-UNMCSNQZSA-N 429.568 4.619 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1nc(C)cs1 1740631173 IGZZDMWKVQYVFP-RXVVDRJESA-N 447.608 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1C 1740771776 DDSWKWWFLCYNCQ-MOPGFXCFSA-N 434.588 4.514 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1740807470 BMFOGFXFAVSWHF-AWEZNQCLSA-N 435.334 4.608 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 1740855128 LRFIHLROURDFES-CQOQZXRMSA-N 444.627 4.543 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@@H](C)C1)C1CC1 1740913564 PJZUPLJXMSRIFG-ROUUACIJSA-N 430.980 4.871 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H](c1ccsc1)N(C)C 1740917954 COVKGNJAJHBCFS-QHCPKHFHSA-N 444.608 4.897 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCCN1CCCC 1748684423 JBBFYZKCDZUKDJ-DHIUTWEWSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1748710300 LWDCOBSKFVWKDB-PZJWPPBQSA-N 443.636 4.869 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1748775667 PYLRDIKXDYEUHS-HKUYNNGSSA-N 445.405 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCO[C@H]1CCCC[C@H]1C 1748916806 DQZMEJZCHIZKLL-XLIONFOSSA-N 430.980 4.662 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)CC1 1749023741 VSJBFRXBCNJFHW-HNNXBMFYSA-N 440.947 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1C[C@H](C)CNC(=O)OC(C)(C)C 1749150334 UKGPORWMNJKVJP-QGZVFWFLSA-N 431.556 4.647 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC(C)(C)[C@H]1C 1749257012 GWCGXINPKXDKCG-QGZVFWFLSA-N 442.947 4.873 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C)[C@H](C)CC)CC1 1749331453 KKIJGLGBQJUWBZ-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCSC[C@H]1C 1749353850 BXBRBNQJSOQEJO-GOSISDBHSA-N 427.618 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N(C)Cc1ncc(Cl)n1C 1749375496 CWZZSLJCRNPDDO-UHFFFAOYSA-N 446.958 4.622 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1749385150 NVJCJIRMZUWYDQ-OFVILXPXSA-N 426.605 4.816 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CCC(OC)CC1 1749560532 PQCHCEZUFOIXMB-UHFFFAOYSA-N 437.588 4.531 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1760131451 SPDKAETYRYJOAU-PXNSSMCTSA-N 445.405 4.936 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760145140 ITPLBDJFEJWNKR-GOTSBHOMSA-N 446.599 4.795 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)C[C@@H]1CC 1760147427 RAJLXXYYFLDVRZ-CVEARBPZSA-N 431.378 4.754 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@H](c1ccsc1)N(CC)CC 1760215644 IKZSYLKZMXEIMC-HSZRJFAPSA-N 449.599 4.692 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C/C=C\c1ccccc1 1760238612 CKFMMJFKTWELKL-RITIIEIYSA-N 435.572 4.523 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1C(F)(F)F 1760332715 AGZWLWLLFIJWKD-FXAWDEMLSA-N 445.489 4.910 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCN(C(C)C)C1 1760340804 OYTCZSCWXKGTHW-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CSCCS1 1760340982 VDEZGKXYAOCWPH-HXUWFJFHSA-N 432.659 4.725 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC2CCCC2)CC1 1760383873 BFYYIMZQQUVDKH-UHFFFAOYSA-N 448.409 4.552 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1760387071 FMHRFIIZBQHQSJ-QFIPXVFZSA-N 440.588 4.912 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(OC)CCCC2)CC1 1760396373 BRBOZQMQGLRQIT-GOSISDBHSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760422696 KUOBAXKECSAXMJ-QHCPKHFHSA-N 430.980 4.729 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 1760434087 YRBIBBUDNPILNA-HXUWFJFHSA-N 435.538 4.861 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(F)(F)F)CC1 1760436706 WWVJNAVUALQHHA-UHFFFAOYSA-N 430.478 4.876 30 10 IJEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)C1CCCCC1 1760437413 CFXOQQRSKGNRCP-SFHVURJKSA-N 434.588 4.563 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1oc(CCC)nc1C 1760478490 JUFJCONMJYVDNC-UHFFFAOYSA-N 432.572 4.937 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCC[C@H]2CC)C1 1760538081 BIDVZGLXMWRVDC-FGZHOGPDSA-N 444.023 4.644 30 10 IJEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1)OC 1763865619 IENFFTIJGWBIOK-UNMCSNQZSA-N 449.555 4.713 30 10 IJEE Cc1ccc(COc2cccc(/C=C3\SC(=Nc4nnc(C)s4)N(C)C3=O)c2)cc1 1772739936 WPCQGFWTIZWTPS-OCFWRVAFSA-N 436.562 4.968 30 10 IJEE COc1cc(C=NN=C2S/C(=C/c3cccs3)C(=O)N2Cc2ccco2)ccc1O 1772757434 FNPDVYOJAHPYHT-UZCDQVSTSA-N 439.518 4.562 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2O[C@H](CC)C(C)=O)SC1=Nc1ccc(O)cc1 1772762953 KWVBJTKPAHIEAQ-JSQRWLOSSA-N 436.533 4.929 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1C 1862396685 CUMOLPCXOSQFIB-XMMPIXPASA-N 427.500 4.825 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1F)c1ccccc1Cl 1862432455 FHKZDKPSOXYLQG-LJQANCHMSA-N 429.806 4.990 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccccc2C(=O)O)cc1 1862519881 VORHRMLEMXZXKZ-QVKFZJNVSA-N 437.492 4.550 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1 1862764655 ZCPOTGSGXQCWGU-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1867118330 DULSRKRCJXHIEJ-RUZDIDTESA-N 443.522 4.695 30 10 IJEE CCCCCCCOc1cn(CCc2ccc(OC)cc2)c(CSCCO)cc1=O 1870252379 PWEMCXDOEJWRSJ-UHFFFAOYSA-N 433.614 4.674 30 10 IJEE CCCCCCCCn1cc(OCC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870363051 LUGDHBCFLGQTKI-UHFFFAOYSA-N 439.644 4.925 30 10 IJEE CCCCCCCCCCn1cc(OCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870364233 YOWYOCIABDIKBV-UHFFFAOYSA-N 434.621 4.727 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(OC)c2)cn1Cc1ccc(C)cc1 1870608800 AHSBJAWNXBVBMS-UHFFFAOYSA-N 444.575 4.967 30 10 IJEE C=CCOc1cn(CCCCCO)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870812745 IBIPJOLSHXPFCJ-UHFFFAOYSA-N 434.536 4.980 30 10 IJEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870813191 AZSSBDJDNCEXRW-UHFFFAOYSA-N 428.891 4.875 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1ccccc1CC 1870839878 CMBDOSXRRZYSGZ-UHFFFAOYSA-N 426.557 4.711 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1ccc(Cl)cc1 1871022422 PHYDTAWTUQBQLL-UHFFFAOYSA-N 430.932 4.555 30 10 IJEE CC(C)OCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(F)c1 1871254317 YAEGAPHOTRLZMZ-UHFFFAOYSA-N 449.526 4.865 30 10 IJEE CC[C@H](NS(=O)(=O)c1oc(-c2ccc(C)cc2)nc1C#N)c1ccc2c(c1)CCCC2 1871285921 GCOBIFXZXGQTNY-NRFANRHFSA-N 435.549 4.830 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)c1 1871424579 OCIFQJDQHKQIOH-SNNLMFDCSA-N 429.472 4.568 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1871775576 DGQIIKJJPYNBTP-AUSIDOKSSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 1872266180 PKABQYDEBDROPK-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872525916 LKWMCIONRVLGKQ-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE CC(C)C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1)N1C(=O)c2ccccc2C1=O 1872766581 LWZHRFZOWMCALV-FPOVZHCZSA-N 443.528 4.697 30 10 IJEE COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(C)=O 1872770195 MTXPGFLERRLFCU-ZAOIQFLMSA-N 432.501 4.942 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617907 OBNYWUZOQQOEGG-UHFFFAOYSA-N 427.508 4.799 30 10 IJEE CCSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccnc1 1874192791 NYCRTBPOLIMWJH-ZVHZXABRSA-N 429.977 4.949 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(F)(F)F)c1 1874458562 VDCGLJUCQULGOQ-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(OC)cc2)cc1 1874494098 PWXGLUGQGPBLLZ-MFKUBSTISA-N 449.580 4.730 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1sccc1C 1874506894 ATTBDRCFEFMNNU-WSDLNYQXSA-N 427.599 4.830 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)c(OC)c1 1874714222 KIXVKFDXSVYAGY-UUILKARUSA-N 436.435 4.967 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(N(C)C)cc1 1875152387 LJSDEDRNCJXLPK-NYYWCZLTSA-N 445.471 4.605 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Br)c(F)c3)ccc21 1891283979 MVGCSQPJTRHPFA-UHFFFAOYSA-N 447.304 4.778 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc(OC)c1Br 1927302563 DZGPONBOSACLBO-INIZCTEOSA-N 440.382 4.601 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983972468 WHTAEVBBZJATPU-FHWLQOOXSA-N 429.479 4.698 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)cccc1Br 1986040857 PHQZQYLMIMEXLG-ZFWWWQNUSA-N 448.199 4.942 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 1988817554 VYCMUKWSNJMZBC-BSQBWSPESA-N 425.545 4.794 30 10 IJEE CC#CCCC[C@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2018329324 HLEFINZMLQJONL-OZXSUGGESA-N 427.633 4.718 30 10 IJEE COc1ccc([C@H](n2nc(C(F)F)c(C#N)c2I)C(C)(C)C)cc1 2079902951 FRZDWJMABFCDCO-AWEZNQCLSA-N 445.251 4.941 30 10 IJEE CC[C@@H](c1ccc(OC)cc1C)n1nc(C(F)(F)F)c(C#N)c1I 2079939039 XWPCZZVTWQFQEB-ZDUSSCGKSA-N 449.214 4.695 30 10 IJEE COc1ccc([C@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)cc1O 2080001839 OHZGNPUDMYOJEI-AWEZNQCLSA-N 432.265 4.741 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3c(F)c(F)c(F)c(F)c3F)nc12 2081371901 GWZTZPNGGSSPCC-UHFFFAOYSA-N 445.653 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 2174814684 KKEHGLHKZPOHHK-QFBILLFUSA-N 434.378 4.937 30 10 IJEE C[C@H](CCC[C@@H](C)C(=O)Nc1ccc(C#N)c(Br)c1)NC(=O)OC(C)(C)C 2181048219 RGXPXASOOUXMRU-ZIAGYGMSSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C(C)(C)C1 2181107524 JHASSVJEKWNNHN-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1csc(NC(=O)OC(C)(C)C)n1 2227489934 CTBNCEJGTVLIBA-HNNXBMFYSA-N 436.375 4.955 30 10 IJEE CC1(C)OB(c2ccc(Nc3cc(Br)c(Cl)cc3F)nc2)OC1(C)C 2232257768 BJFUJMHDCAYMAZ-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2235732512 YSKZPEZKKJSUJT-DKZVUGQWSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](O)(C#Cc2ccccc2Br)C[C@@H]1C1CCC1 2235744135 OIXBURDWWGADEC-KNQAVFIVSA-N 434.374 4.731 30 10 IJEE C[C@H](C#N)C1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)CC1 2236698724 GQYGJCSFIHHWHT-CYBMUJFWSA-N 436.350 4.808 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)NCCC 2252730466 DZWZAWPPHUBLCX-DHIUTWEWSA-N 432.605 4.544 30 10 IJEE C=CC[C@@]1(COc2nc(Cl)ncc2Br)CCCN1C(=O)OC(C)(C)C 2259512465 QEKTXFUDBRSFAG-KRWDZBQOSA-N 432.746 4.617 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H](N)C#Cc1cccc(Br)c1 2296216065 GYRVORFHOPZLQT-VQTJNVASSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 2296224087 GWDRJARUZFQYQM-RTBURBONSA-N 437.422 4.964 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2296224995 PYLWEZJOYSEAKD-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C 2296265811 BNXZYIOGLMBSQC-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]12CCC[C@@H](CC1)N2C(=O)OC(C)(C)C 2296296810 RRTYZTBTSJUPTO-NNMXDRDESA-N 433.390 4.711 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 2314028379 JFMXYLCDDSQXTF-OALUTQOASA-N 445.560 4.974 30 10 IJEE CN[C@@H](C#CC1(SC)CC1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2314657278 JECJLLXNBUTLOT-INIZCTEOSA-N 425.392 4.956 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2ccccc2OCC(C)C)c1 2318571697 QESDVHHMURPQLN-UHFFFAOYSA-N 438.553 4.582 30 10 IJEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc2c(c1)OCCO2 2321184611 ZFMBNDSHCJHLMZ-UHFFFAOYSA-N 435.336 4.839 30 10 IJEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccn2)C4)cc1 2321968596 MGZWEEVBKRDWNH-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE COc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccco3)C4)C2=O)c(OC)c1 2322307864 DOYFPTGPQHHQIP-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc(O)c2CN2CCN(c3ccccc3)CC2)C1=O 2324161794 PDGOZJOKRGVJJR-UHFFFAOYSA-N 432.545 4.701 30 10 IJEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C1=O 2324969517 RMPIEBDQZVAWKU-UHFFFAOYSA-N 436.445 4.598 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1 2325480206 OHUJSTPLGLRGDQ-UHFFFAOYSA-N 429.505 4.952 30 10 IJEE CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1c(F)cccc1Cl 2326740225 RJOAGXWBOJCFAQ-UHFFFAOYSA-N 434.924 4.673 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1F 2326749973 FHOUUNPPKRPTEZ-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE C=C(C)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(OC)cc1OC 2329336686 HKLPTNKAZRTYOG-UHFFFAOYSA-N 438.553 4.563 30 10 IJEE Cn1cccc1C=Nn1c(CCc2cccs2)nnc1SCc1cccc(F)c1 2329645190 MLZCEPPZTKVIAC-UHFFFAOYSA-N 425.558 4.777 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccc(F)cc3)nnc2SC)cc1OC 2329793672 BQDQNXJAMRSIKH-UHFFFAOYSA-N 428.533 4.800 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3F)cc2[N+](=O)[O-])cc1 2331092996 OWJQEPLPVXLWGJ-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cccc(F)c1 2331327683 HQWBMTRCXIMJMP-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cc(OC)ccc3OC)cc2)cc1 2331378651 MFNPGURPTIXKBC-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2ccccc2O)c(C)c1 2331416243 YMDJQBPVWZCOKC-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(COC)c1 2337130244 HGNZSSSRKZPFIE-ROUUACIJSA-N 427.383 4.716 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2ccc(F)c(Br)c2)OC1(C)C 2339445926 GTGCQULWFMLCOL-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@H](N)C#Cc3ccccc3Br)CCC[C@H]21 2358759748 OWLPIZOVIAPIAP-RAUXBKROSA-N 433.390 4.554 30 10 IJEE Cc1cc(CNC[C@]2(C)CN(Cc3ccccc3)C[C@@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678440 DUXMGTAHBZJWTQ-RBISFHTESA-N 448.460 4.542 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(OC)ncc(Br)c1C 2370356876 KHHRDHYMFZJQBC-RDJZCZTQSA-N 442.398 4.671 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(Oc3ccccc3)cc2)NC2CC2)n1 14156322 PPEDWOVKWNYVFA-UHFFFAOYSA-N 432.553 4.803 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2cccc(C)c2Cl)N2CCC[C@@H](C)C2)n1 14160162 QVSZPPGKYPBLPJ-CYBMUJFWSA-N 431.009 4.952 30 10 IJEE O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 33291031 RLJWQNNYJVDVRM-RIYZIHGNSA-N 438.690 4.902 30 10 IJEE Cc1cc(C)c(CSc2nnc(N/N=C/c3cc(Br)ccc3O)[nH]2)c(C)c1 59016995 OZMZBCFEUNPXAV-ZVBGSRNCSA-N 446.374 4.936 30 10 IJEE CCCOc1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccc(Cl)cc3)NCC)C2=O)cc1 59446696 OVLPYZCTEDADJJ-LJQANCHMSA-N 445.972 4.791 30 10 IJEE COc1ccc(-c2nn(CCC#N)cc2/C=C2/SC(Nc3ccccc3)=NC2=O)cc1 96663377 HSZIZFPEOYLHNO-XSFVSMFZSA-N 429.505 4.555 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 169906943 ABYLYFKXVBOMTM-ZVHZXABRSA-N 444.940 4.548 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2)cc1 170028856 DFBBQEUEBIESNK-QFIPXVFZSA-N 444.443 4.776 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170077726 FNTGLROYCRQALC-DEOSSOPVSA-N 448.482 4.823 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2C)cc1 170088891 SUFMERVIAZAIGK-XMMPIXPASA-N 441.483 4.721 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@H]1CCCO1 170123121 FQPISECMCJCRJG-YKSBVNFPSA-N 443.499 4.606 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)cc1 170138050 OWLZGUDUMZIHNS-DEOSSOPVSA-N 445.515 4.939 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccccn1 170175719 IUGUWRYVMIIDQD-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccnc2)c1 170191417 HBCGZVBYISXCPM-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)c1 170199165 JVZLCFKUACRHRL-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccncc2)cc1 170212498 HNSAEZWLCIDFER-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2)c(C)c1 170234501 KZDOAJSUILICRU-QFIPXVFZSA-N 439.471 4.663 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)c1 170234521 CEXKESHJAJOUTI-JOCHJYFZSA-N 439.471 4.745 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)cc1OC 170238850 VEITXPLXAANRNZ-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1cn(C)c2ccccc12 170269426 XUVCPAHLFZHNCL-OAQYLSRUSA-N 438.911 4.829 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)cc1C 170283753 LISAYGDIPKLVOA-JOCHJYFZSA-N 433.460 4.865 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccco2)c1 170288991 HZBPFVJYKQBNFD-HSZRJFAPSA-N 429.472 4.955 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170473522 XWIPBRQBJVGLMQ-JOCHJYFZSA-N 447.443 4.578 30 10 IJEE COc1ccc2ccc(OC)c(/C=C3/SC(=Nc4ccc(C(=O)O)cc4)N(C)C3=O)c2c1 252630968 VGIHHJVFQWGWLE-QJDZWDSLSA-N 448.500 4.789 30 10 IJEE Cc1ccc(N2CCN(N=CC3=C(N4CCOCC4)/C(=C/c4ccccc4)CC3)CC2)cc1 254515861 AOUPAYSHMQFYPR-TYIHEHHJSA-N 442.607 4.567 30 10 IJEE O=[N+]([O-])c1ccc(NN=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)cc1 254708806 XXNVWZKQRWOYIA-UHFFFAOYSA-N 428.408 4.802 30 10 IJEE Oc1c(Br)cc(C=NNc2nc3ccccc3s2)c(O)c1Br 254746529 FJOXPIUAYXYVCO-UHFFFAOYSA-N 443.120 4.679 30 10 IJEE Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1N=Cc1ccccc1 254860463 OPNFNWOOJDYCHT-UHFFFAOYSA-N 438.535 4.669 30 10 IJEE CC1(C)OB(c2ccc(Cl)cc2NC(=O)c2cscc2Br)OC1(C)C 405029688 MMDJSEMJGIOTGX-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE O=C(c1c(O)cccc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436986071 FFMXNRBFHDLTCI-HNNXBMFYSA-N 437.311 4.783 30 10 IJEE C=CCOc1ccc(CN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1OC 501735220 NHDGQMAVXFWOTA-NRFANRHFSA-N 446.551 4.615 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 508874631 RQELARPLPXYAMV-UYAOXDASSA-N 439.585 4.564 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1nc2c(s1)CCCC2 508886047 WJSZSDMURNUNHQ-HNNXBMFYSA-N 427.549 4.715 30 10 IJEE CCCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N 518260789 VNOVWRQFJHVDBZ-QGZVFWFLSA-N 427.545 4.987 30 10 IJEE CCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526805006 BYMUERYCMVRCDZ-QRVIBDJDSA-N 439.541 4.926 30 10 IJEE CCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)cc1OCC 526822134 FAFJYFQVRDLIQF-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1ccc(OCC)cc1 526827805 JAKVGRGKXFWEDO-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 531870211 WWUGVWBKTDIWLR-HNNXBMFYSA-N 427.463 4.854 30 10 IJEE C=CCn1c(C)cc(C(=O)CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1C 533373945 KNMHWYISMSAFNX-UHFFFAOYSA-N 435.490 4.842 30 10 IJEE C[C@@H](NC(=O)Nc1cccc(N2CCOCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 543872708 ZTPSHJPVDLLDPN-LJQANCHMSA-N 426.520 4.945 30 10 IJEE CN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccc(C#N)cc1F 608797997 FHZJDFPFHBXCRQ-UHFFFAOYSA-N 429.245 4.908 30 10 IJEE Cc1ncccc1/C=C1/CN(c2ccc([N+](=O)[O-])cc2)C/C(=C\c2cccnc2C)C1=O 730418884 DFXVCXINCWEYMA-VOKWCDJLSA-N 426.476 4.558 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(F)cc1F)[n+]1cccc(O)c1Cl 735667711 XZULUZZFGGBBCC-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE C/C(=C\C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)c1ccccc1C(F)(F)F 741920674 TULVJJCUQZMFMA-ATEOEAFZSA-N 445.466 4.521 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 742162034 LMNXCPPZQNKXIY-GCJKJVERSA-N 438.572 4.749 30 10 IJEE CCc1ccc(OCc2nn(CN3CCC(C)(C#N)CC3)c(=S)n2CC(C)C)cc1 779878499 AVJNEFRDJQHIJY-UHFFFAOYSA-N 427.618 4.795 30 10 IJEE C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 795331953 IILDQWUJKYKSHX-GCJKJVERSA-N 431.561 4.552 30 10 IJEE CC(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 802676135 HDRQJCKXTYMDDF-XMMPIXPASA-N 440.551 4.542 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)c1ccc(Cl)cc1 810473697 HBPFJLUBSJCHRH-OAHLLOKOSA-N 430.316 4.546 30 10 IJEE Cc1ccc(-c2ccc(C=Nn3cnc4sc5c(c4c3=O)CCCC5)o2)c([N+](=O)[O-])c1 1084116708 VVJFCUHJCDPVJT-UHFFFAOYSA-N 434.477 4.696 30 10 IJEE C#CCN(C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)c1nccs1 1126809405 VXIJWXXFSSFGDS-UHFFFAOYSA-N 426.954 4.844 30 10 IJEE C#CCN(C(=O)c1cc(Br)c(OC)c(OC)c1)[C@H]1CCCc2ccccc21 1134315877 BTAUVJFQUYYPIX-IBGZPJMESA-N 428.326 4.619 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(CC)c3ccccc3)cc2)c1 1136831524 JOQSWEDRZWBYOY-UHFFFAOYSA-N 446.572 4.572 30 10 IJEE C#C[C@@H](C)NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(C)CC1 1138698601 WRAPJFLUOBPUCS-QWHKJSHPSA-N 430.548 4.612 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 1141872949 GKDSFCNGTORKLF-OAQYLSRUSA-N 425.326 4.843 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCCOC)c(Br)c1)c1ccc(Cl)cc1 1220297972 UMYWBPTVJXTEGU-KRWDZBQOSA-N 437.721 4.624 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 1264399139 NLWLWBYWORATPA-SFHVURJKSA-N 447.000 4.589 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCCC2)C1 1286316873 MKZBYCJGWWEQFA-FQEVSTJZSA-N 440.563 4.900 30 10 IJEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)Cc1ccc(Cl)s1 1286354975 WRFCMBYVGFHOQO-UHFFFAOYSA-N 438.988 4.671 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)c1cccs1 1286363328 QTKDJHDYRDWXLW-NRFANRHFSA-N 442.997 4.852 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(=C)Br 1286422014 UFLQMUYCFGPGCD-OAHLLOKOSA-N 443.414 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCCNC(=O)OC(C)(C)C 1286567910 YGYQHVWQXIEWOM-UHFFFAOYSA-N 438.576 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1286583163 JWRRRCMDGLYSHO-WMZHIEFXSA-N 430.568 4.850 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1286633209 VMZHQHWMSCLSKS-UHFFFAOYSA-N 442.032 4.784 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1286678174 RNLLTVLNNVBUOT-DHIUTWEWSA-N 437.632 4.833 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1286680136 AJHSEGNKRISUFQ-PPJWLVRDSA-N 438.616 4.772 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286697960 ILPNBIWQFTZDAR-HDICACEKSA-N 426.515 4.825 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1286708311 CSYABOCSEGGKCE-LAUBAEHRSA-N 442.560 4.705 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC[C@@H]1CCCCO1)C1CC1 1286734033 NABMPUUQCLIYNO-IBGZPJMESA-N 431.378 4.822 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1C[C@](C)(O)c1ccco1 1286745471 UMBNZBGWGMIYCN-VWLOTQADSA-N 438.547 4.843 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1286759624 DTAOGRJVTJCDHG-QFIPXVFZSA-N 432.616 4.893 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1 1287801459 IBXNBJTWABLEIF-UHFFFAOYSA-N 435.499 4.950 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 1294630155 DTSBAVVJSKGSGE-UHFFFAOYSA-N 445.950 4.749 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@@H]1C 1295784799 AQAICFBJNONNPV-GHTZIAJQSA-N 435.597 4.620 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1300767589 ACSJGLRSERMFOB-NRFANRHFSA-N 445.032 4.609 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(C)(C)C)CC1 1300832090 CTEGMISDDBPNCN-UHFFFAOYSA-N 444.377 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCc1nccs1 1301150469 URWGRVARHBEYJP-UHFFFAOYSA-N 447.612 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1C1(c2ccccc2)CCC1 1301158393 DELNPFOPECVHEK-QFIPXVFZSA-N 449.643 4.703 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1)c1ccccc1 1301164258 REOWCQRXBCYNBD-DEOSSOPVSA-N 435.616 4.565 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1301177940 ASSJBAJCGXKRRB-UHFFFAOYSA-N 435.616 4.839 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1301368205 YYVMIPDWJDLPTD-GMAHTHKFSA-N 436.648 4.911 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1301412929 LXMYKLMUACLWRV-GOSISDBHSA-N 445.608 4.608 30 10 IJEE C=CCCCCNC(=O)N[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1312541409 GFDKCPUUFVRJID-CYFREDJKSA-N 429.561 4.545 30 10 IJEE CSc1nc(O)c(C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cc1C#N 1337484085 PARXSEQNUSLUCF-UHFFFAOYSA-N 444.354 4.615 30 10 IJEE C#CC[C@]1(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)CCCN1C(=O)OC(C)(C)C 1356182819 MDOUHXUDLMJXTC-AREMUKBSSA-N 442.575 4.937 30 10 IJEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)c1ccccc1 1357221025 VZOPLVXZZXRDDY-XMMPIXPASA-N 440.609 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nnc(C)s1 1358875149 JVBWLOIRSITFGS-LBPRGKRZSA-N 443.001 4.674 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C1CC(C(C)(C)C)C1 1358899858 WUILWEIHTHOFKR-RGVPCPSESA-N 429.609 4.805 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC[C@H]1OC 1359001796 DEGFRDSFHPRXAY-VQTJNVASSA-N 435.597 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nnc(CC)s1 1359002408 YHXKGKOZDUCOTE-UHFFFAOYSA-N 443.001 4.735 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C(CC)CC)N(C)C 1359003393 JHEFKAJHZROEKD-GHTZIAJQSA-N 441.689 4.957 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359051492 YJVMKHQHZVSUNQ-IERDGZPVSA-N 445.430 4.843 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359117807 UNVPNTVUDIGDHZ-HKUYNNGSSA-N 430.980 4.779 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(Cl)ccc2OC)CC1 1359162030 AGKRHTCVAKEAQU-UHFFFAOYSA-N 430.339 4.860 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(Nc2cccnn2)CC1 1359185547 AONWGPGMZAIDHX-UHFFFAOYSA-N 431.588 4.727 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 1359248113 AVHRAZLVZULDDZ-UHFFFAOYSA-N 439.604 4.966 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CC(=C)Br 1359255342 VCSPKCJMCVUPIP-UHFFFAOYSA-N 433.394 4.977 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCn2ccnc21 1359267220 ZDJALMZQDVXGSL-FGZHOGPDSA-N 446.599 4.987 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1cnn(C)c1 1359268591 VWZAIFIQSUBLHB-UHFFFAOYSA-N 436.629 4.820 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1359324446 LHQOMWFFVUBWLO-QUCCMNQESA-N 438.469 4.633 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1359338719 FILUWPIUAWDORR-HXUWFJFHSA-N 446.523 4.622 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(c2ccc3c(c2)OCCO3)CC1 1360644076 NISDHFQCZJYEEN-UHFFFAOYSA-N 446.316 4.606 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1ccc(-c2nc(CC)no2)cc1 1360856076 FMXYZJMIVPATGX-UHFFFAOYSA-N 445.441 4.855 30 10 IJEE C=CC[C@@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)CCC)c1ccc(Cl)c(Cl)c1 1436027677 MDMHUSILCCFANA-QZTJIDSGSA-N 434.385 4.748 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 1436213967 OMIJMNQFOZYAAY-UHFFFAOYSA-N 445.489 4.946 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1436867922 CNOAWRSTPAYKET-UHFFFAOYSA-N 437.540 4.560 30 10 IJEE CC(C)c1cc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(O)c(C(C)C)c1 1440526650 BFLVTATZSDNYCS-UHFFFAOYSA-N 448.523 4.721 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 1441189176 CEIVCIFZRXLYKR-IBGZPJMESA-N 427.382 4.745 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 1443206870 SKDHCCYHQXVBMG-NHCUHLMSSA-N 438.572 4.997 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 1456023927 ARGNOWCSVLXVJW-QGZVFWFLSA-N 435.952 4.877 30 10 IJEE C#CCN(Cc1ccc(Br)c(F)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 1460777575 GNDFDOSCKFKWRA-UHFFFAOYSA-N 443.332 4.562 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 1460780453 HDKOCPMEQSFCBT-CXAGYDPISA-N 429.314 4.861 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(C)c(C)c1 1465013931 WJWORAQYIPDYCW-UHFFFAOYSA-N 432.480 4.601 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(OC)c1OC 1468362196 TYNIIMJKROQMHZ-PMACEKPBSA-N 448.567 4.834 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC[C@H](C)CC 1468497081 KMJYFHCALZXSIT-KOSHJBKYSA-N 436.552 4.954 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 1468938381 IMBCCDVADFTLEP-OAHLLOKOSA-N 431.851 4.877 30 10 IJEE CCOC1CC2(CCN(CC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)CC)C4)C2)C1 1473452837 AFUAFTQIJGUMKV-ZEQOPOFZSA-N 443.657 4.990 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](Cn2ccnc2)C(C)(C)C)cc1OCC 1473950279 GTHPHSHEBURQRB-IBGZPJMESA-N 436.394 4.814 30 10 IJEE CCOC(=O)N1CCC([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1476463192 GFBIYHLQPFZNQX-QGZVFWFLSA-N 436.512 4.729 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCCC(=O)OC(C)(C)C 1476728767 CFACWENXBNUXJZ-UHFFFAOYSA-N 427.339 4.647 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1CCCO1 1478480048 ZVLXPGQZXZPICE-PKTZIBPZSA-N 448.954 4.515 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 1478895631 GEWCDAJQIGLOPQ-IAGOWNOFSA-N 431.241 4.719 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1503969541 DVNOUSJCFULKQW-YBVWCTEOSA-N 443.979 4.627 30 10 IJEE COC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@H](C)CC#N)CCC(C)CC1 1504053596 DOKKTNNVCQUZNJ-HZBPUNQASA-N 439.604 4.808 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCN1CCCC 1507526650 DHNICAJFFCYSBC-NHCUHLMSSA-N 432.616 4.549 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC[C@H](C)N1CCCCC1 1507603956 GKIBZBQTAGYLDE-IBGZPJMESA-N 448.640 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507672605 FMUIHJMQAYTLBL-VQTJNVASSA-N 444.501 4.922 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507694050 IGRPXTUCTRNPHL-RTBURBONSA-N 434.506 4.825 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(CCOCC)CC1 1507763605 DQVGFKJLANKRMY-YADARESESA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1cccs1 1507764800 UHHLIPMGKLKPTO-GOSISDBHSA-N 433.400 4.871 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C(C)C 1507809244 IUWBWMKMFGWULP-HSALFYBXSA-N 447.624 4.566 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCN(CCC)CC1 1507819297 PMJVQJKQJWDDSE-UHFFFAOYSA-N 449.441 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1CC(F)(F)C1 1507824361 ZDOFUBCLVBJMPN-KRWDZBQOSA-N 439.551 4.798 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1507910167 ICFBQVREPNZPTB-INIZCTEOSA-N 431.531 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC1CCOCC1 1507911808 ASVKVUSCFXEJTG-UHFFFAOYSA-N 434.588 4.596 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1)c1ccccc1 1507924830 UOOICHXUUPNHFZ-MZEQIWSPSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1507926510 TXDLXMIPYSOOMC-NRFANRHFSA-N 446.530 4.755 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1507942936 VQEQIBQTWQJJDA-MRXNPFEDSA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)N1CCC[C@H](C)C1)C1CC1 1507997362 WQTIAIKUQKYBFN-FQEVSTJZSA-N 437.632 4.543 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1508007265 YDZHTTUJCBYNPD-KRWDZBQOSA-N 431.606 4.713 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)Cc1ccccc1C 1508060992 HZCDODKUJAVRIE-UHFFFAOYSA-N 439.604 4.914 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1508162962 RRDVQMDDVDNAFX-MRXNPFEDSA-N 426.964 4.923 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1508168162 UVWCJVBPRNLTLF-MAUKXSAKSA-N 449.418 4.528 30 10 IJEE COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 1516551043 CSUIZYSRETWODM-UZUQRXQVSA-N 430.529 4.990 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2c(CC)cccc2OC)nnc1-c1ccco1 1522659033 KMTJQUICQJLPOF-UHFFFAOYSA-N 427.526 4.521 30 10 IJEE COc1ccc(-c2cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)no2)cc1 1529644277 GDQHHTMITBGUBF-AWEZNQCLSA-N 429.398 4.923 30 10 IJEE COc1cc(C(=O)N(C2CC2)[C@H](C)C#N)ccc1OCc1ccc(Br)s1 1531697391 FKVXQTYGYAMFCO-GFCCVEGCSA-N 435.343 4.615 30 10 IJEE C=CCC1(C(=O)N[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CCCCC1 1536498935 OHFFOAKFLMUALZ-IBGZPJMESA-N 433.390 4.896 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1536580521 GIERZTQMFLIMEF-UHFFFAOYSA-N 442.538 4.686 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)OCc2ccccc2)C(C)(C)C)cc1OC 1536999404 CIQRQAKWBWMMMN-DQRYEYLNSA-N 437.536 4.548 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1c(C)oc2ccccc12 1538974201 UBXSDEFXYAPJKK-CYBMUJFWSA-N 438.329 4.597 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1539101911 MIOGDCDBCFETNA-QGZVFWFLSA-N 425.330 4.708 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CC[C@@](C)(CC)O1 1539153355 AWBGUGPESYNFTB-NTKDMRAZSA-N 435.597 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1539327581 BOYCZIKQQJAZFG-RTBURBONSA-N 432.465 4.765 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCc1sccc1C 1539333399 CLELKEVUYMFGLC-UHFFFAOYSA-N 432.593 4.549 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@@H]1CC 1539600916 VCNMMQVSYNRMOI-PXAZEXFGSA-N 425.321 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC1CCC1 1539620165 JTTZFUZAAQQENU-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CCC)CCC 1539628767 SZEVFXDLMZWJKN-REWPJTCUSA-N 434.588 4.738 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1539693140 AKIFKLHSSCQATF-KRWDZBQOSA-N 430.961 4.823 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1539766551 AFAWQEONFOXHTM-IBGZPJMESA-N 447.549 4.797 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(N(C)C)CCC2)CC1 1539827996 CJMUTHXIFRCVSV-SFHVURJKSA-N 429.996 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1539832744 XYTJZNWYNUMHJU-UYAOXDASSA-N 443.389 4.845 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539900099 HMYBIHCHHBENJS-IYBDPMFKSA-N 425.568 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)OCc3ccccc3)CC2)nnc1C(C)(C)C 1539932180 XTSRCFBORVVPDU-UHFFFAOYSA-N 439.604 4.637 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539981933 KMNMBXMVQAHJLF-RTBURBONSA-N 438.551 4.641 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@H]1C 1540021821 YYMGMGJVDSFVJV-QZTJIDSGSA-N 448.995 4.668 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCN(C(C)C)C1 1540180843 WKXDDJFOAYLHFP-DEOSSOPVSA-N 446.643 4.639 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(C)(C)O 1540181941 CUSYILFQQDEZDD-FGZHOGPDSA-N 440.632 4.593 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1cccs1 1540857598 HHRCHFDEITZCFN-IAGOWNOFSA-N 431.606 4.838 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](c2ccccc2Cl)N(C)C)o1 1542292630 CDDFMODEUWQRAP-HNAYVOBHSA-N 426.952 4.541 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccccc2OC)cs1 1542970104 BXXIBUOOWCSLMS-AWEZNQCLSA-N 437.949 4.793 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Br)cc4nc(O)[nH]c34)cc2)c1 1543247182 ADNGQBPLMBKTMF-UHFFFAOYSA-N 449.264 4.947 30 10 IJEE C=CCc1ccc(OCC(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)c(OC)c1 1557709915 ADZJLPFJJQXUIR-UHFFFAOYSA-N 445.563 4.599 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)OC)c2ccccc12)c1ccc(Br)cc1 1563162624 JFGXEGLISPKFOY-IBGZPJMESA-N 437.293 4.885 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1566301986 HBTKACOTPAVCCX-QFIPXVFZSA-N 432.471 4.639 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnc(-c4ccc(Cl)s4)nc3)n[nH]2)c1C 1570637841 BQMIDLGPBACGFO-UHFFFAOYSA-N 439.932 4.500 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1 1570817286 VETLXGWGVXHLJU-INIZCTEOSA-N 428.326 4.522 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 1583244213 CZMRSBYCTRGWKV-MSOLQXFVSA-N 425.579 4.609 30 10 IJEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)cc1 1584393454 ARDRDXCYGMISTD-AEFFLSMTSA-N 446.469 4.935 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 1584558002 AORGUFLAKJSIAL-QGZVFWFLSA-N 433.892 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)C(C)C 1589164404 SYPOFRGMMXGRNY-JWQCQUIFSA-N 449.624 4.776 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCSC1 1589614669 BFJNJIDECJDZJM-ZDUSSCGKSA-N 427.437 4.925 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1594023693 NETIWYNARQUEIO-KNQAVFIVSA-N 438.563 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@@H]1CCCCO1 1594472200 AHTCZYRGKRAVQH-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccccc2[C@@H]1C 1594830645 ZUTNEXQSBUONHC-WWPVKYPJSA-N 438.616 4.913 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1C[C@H](C)N1CCC[C@H](C)C1 1595075222 BACZXAKCWJRYMV-SFTDATJTSA-N 437.632 4.867 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC)OC 1595127321 MIEIBXOAUQMGRG-GOSISDBHSA-N 429.927 4.750 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1CCc1cc(C(F)(F)F)ccn1 1595195832 ACLGOPLWHYFOMO-UHFFFAOYSA-N 443.473 4.789 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(CC)CCC2)C1 1595745681 VWOCOPJOVLDIOK-FQEVSTJZSA-N 430.980 4.872 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC)C1 1595905306 GWGRMONTEGAJEG-OALUTQOASA-N 449.665 4.896 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1 1596506143 JRWSMWONGAFXBC-FQEVSTJZSA-N 446.979 4.650 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCOC1 1611748004 GCTDGQMENZRZKY-BSRJHKFKSA-N 443.979 4.628 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCOC2CCCCCC2)cc1C 1612123562 FKPUQCJCWYBIKH-LJQANCHMSA-N 439.604 4.809 30 10 IJEE C=C(C)CCSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCN(CC)C3 1613388558 DKVMWYCURZFRBM-UHFFFAOYSA-N 441.622 4.892 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1615814667 DOFMWARRVNXLRT-WZONZLPQSA-N 426.996 4.603 30 10 IJEE C#CCC1(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)Cc3cc(F)ccc32)CCCCC1 1617135606 ZOLFPXJXSVUFSF-GOSISDBHSA-N 428.548 4.830 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 1618828272 AKZHYXRRCWKIQL-GOSISDBHSA-N 445.357 4.739 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(c3ccc(Cl)cc3Cl)CC2)cc1 1620213969 DFCWDPJNGDIHNQ-SFHVURJKSA-N 445.394 4.759 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cn2)CC1 1623659769 GUKOSSRKIYWBOX-UHFFFAOYSA-N 429.480 4.652 30 10 IJEE C=CC1(CC(=O)NCc2ccccc2OCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 1624884480 NAUIOEYWMKBUAE-UHFFFAOYSA-N 436.552 4.695 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N[C@H](c3ccccc3)C3(CO)CCOCC3)c2)cc1 1627665816 AAQOINAVZIFXOC-RUZDIDTESA-N 441.531 4.562 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 1630965153 SVSHARONWOARRN-HXUWFJFHSA-N 429.948 4.647 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C)c1ccccc1 1631091085 UBFYIDKICWZHDI-HSZRJFAPSA-N 438.549 4.504 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C)CCOCC1 1632452860 CRTFEQBFCCTHHN-XMMPIXPASA-N 448.563 4.545 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1 1633043283 GSXDFYCYKNJJKC-UHFFFAOYSA-N 444.457 4.683 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 1635243317 UBPFLCXUMQRQPH-UHFFFAOYSA-N 449.389 4.824 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 1642539786 DMQJMCCMXRIJGQ-HRAATJIYSA-N 434.483 4.740 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 1644131967 PEBCBTRHZDKDJL-IUODEOHRSA-N 436.858 4.798 30 10 IJEE C#CCN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1645454278 DIHNLVAFCCMWFZ-UHFFFAOYSA-N 429.319 4.607 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C1 1655563060 WRRDGNSXFWZTBD-LJQANCHMSA-N 433.552 4.828 30 10 IJEE C=C[C@@H](Sc1nnc(-c2ccc(N(CC)CC)cc2)n1-c1ccccc1C)C(=O)OC 1656013066 MYCSCEBYMUJCLP-OAQYLSRUSA-N 436.581 4.909 30 10 IJEE C=CCOc1cccc(CNC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 1656013957 YITRPWUTHXOCAZ-QHCPKHFHSA-N 425.573 4.673 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)cc1 1659229277 AZBWHWXMWFNJST-OAQYLSRUSA-N 441.572 4.588 30 10 IJEE CCN(CCOc1ccccc1OC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 1659592254 DPXSLUZDURQNNA-QGZVFWFLSA-N 441.597 4.625 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1659680430 KWYCZLUFOFWZJQ-UHFFFAOYSA-N 442.487 4.594 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)cc1 1661859927 ANMDARAZPCGBIN-NFBKMPQASA-N 429.545 4.777 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(C)C 1665701089 JGSCEQUFFKXXCH-OAQYLSRUSA-N 426.630 4.884 30 10 IJEE Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)ccc1Br 1668874887 BREAVIMNGDRGGK-KRWDZBQOSA-N 439.762 4.808 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)c1ccc2nc(O)oc2c1 1670846010 XKYNGDCMAMPJOB-NSHDSACASA-N 432.274 4.743 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 1671797460 AZAXIMYOWRRAIT-MNAPGUCWSA-N 449.599 4.835 30 10 IJEE N#CCc1ccnc(NC(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)c1 1672184871 CIXVSTNQPDHTRI-XMMPIXPASA-N 431.584 4.836 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)C[C@H]1OCCc2ccccc21 1672707989 BNUAZHMSOMMIEQ-HXUWFJFHSA-N 431.330 4.792 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1677873194 FSQALDRPOLWEJP-LJQANCHMSA-N 436.313 4.706 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)c(F)c1 1678006651 KITTZLNKHMOPSS-HJPURHCSSA-N 446.517 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1689838997 BLFTYHPLKMSINU-BPUTZDHNSA-N 425.886 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCC(C)CC1 1689841316 DLTRUEHUQBLTRV-QFIPXVFZSA-N 437.632 4.560 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1689948305 VLYXHLUBZAXEMX-KRWDZBQOSA-N 447.539 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)CN1CCCCC1 1690063551 HLYGODHEIQFYQA-FQEVSTJZSA-N 439.673 4.857 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCCN1CCC[C@H](C)C1 1690088273 HDKTUCWNFNMADN-NRFANRHFSA-N 425.596 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC1 1690237971 CWNMDYBRBXDEPI-CDXJDZJCSA-N 430.980 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H](CC)N1CCc2ccccc2C1 1690261203 BFFSGMAIJDUYLS-QHCPKHFHSA-N 432.616 4.523 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1690274792 DJPZWUOKJQNIRY-WMQCIHAUSA-N 428.552 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1690433375 VNTWVTYFAGUNNB-DEOSSOPVSA-N 431.024 4.916 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690475371 PEVJNVQUIGPITM-LSDHHAIUSA-N 437.407 4.741 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)c1ccco1 1690515899 WPDWGWFLSJFJKQ-SBUREZEXSA-N 444.963 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCNC(=O)OC(C)(C)C 1690519868 AIGUXMXDLHKXLD-UHFFFAOYSA-N 449.983 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCN(C)C(=O)OC(C)(C)C 1705478248 YMPLAFJRLYSTNS-FPOVZHCZSA-N 439.604 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@H]1CCN(c2ccccc2OC)C1 1705718947 FUSIZJIKTDJIBC-QFIPXVFZSA-N 437.632 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705862670 RTRCBJMJMHQGDT-RTWAWAEBSA-N 448.590 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1705879689 IICUAUXWFSCVFH-FCEUIQTBSA-N 442.604 4.799 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCc1ccc(F)c(F)c1 1705880760 PBFNPGYYPJEBJH-UHFFFAOYSA-N 449.505 4.998 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1705887613 QPVMDNUSAGCATR-QHCPKHFHSA-N 438.616 4.983 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(COC)c1 1722281863 PATNAHVSYBADHJ-GOSISDBHSA-N 434.609 4.928 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC(F)F 1722314792 QFXDYMCTZUGLHP-UHFFFAOYSA-N 425.321 4.911 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1722330545 VIYDQOCBILPVAH-UXHICEINSA-N 446.599 4.664 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OCC(C)C 1722471365 DULXXCFNICNHJC-AREMUKBSSA-N 429.568 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@H]1CC[C@@H](F)C1 1722475726 VGZFIGAKGHDXHX-YZZKKUAISA-N 428.577 4.709 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2csc(CC)n2)CC1 1722565324 YNFZYGLJKJXUJH-INIZCTEOSA-N 427.549 4.781 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCN(CC)CCC(F)(F)F)CC1 1722577116 XSNSYOBFKBZZEA-UHFFFAOYSA-N 439.501 4.761 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](COC)C1 1722582890 LONNQOOXSLZNBC-HXUWFJFHSA-N 439.604 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCC(F)(F)F 1722586038 QZBNLRGYDMOUKX-UHFFFAOYSA-N 426.483 4.953 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1722604659 HUHODPRFDQHMEA-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722607199 PADYSDDPDQDJOK-QFBILLFUSA-N 436.343 4.840 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1722635295 PHXNRVWDMXEFGE-LAUBAEHRSA-N 433.394 4.986 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2c(C)noc2C)cc1 1722706566 VZSOJWUSNHONGK-UHFFFAOYSA-N 433.512 4.701 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC[C@@](C)(CC)O1 1740538796 KIQPKXQZVJYHHP-QPBWXXGLSA-N 426.630 4.937 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nc(C)c(C)s1 1740539876 GBCSXCIGIIRQLL-ZDUSSCGKSA-N 444.402 4.596 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccnc(Oc2ccccc2F)c1 1740724925 KKTPPXVXNCXCFJ-RUZDIDTESA-N 433.531 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC1CCN(CCC(C)C)CC1 1740727329 HYKRATVYAGHEKH-HHHXNRCGSA-N 449.643 4.704 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)CCc1cccs1 1740755161 YHXJYIYMEMZWSU-JTHBVZDNSA-N 447.608 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)CCOCC 1740757866 XYKUBZONCKNHDO-OXQOHEQNSA-N 436.959 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC[S@](=O)C(C)(C)C 1740767980 BSGKKBPWCFVNGJ-HKBQPEDESA-N 439.629 4.751 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](CCC)C1 1740804730 GMZWSOKAINJQNN-GFCCVEGCSA-N 431.787 4.527 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@H]2c2cccc(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 1740817070 UGWUONCGAUQJQD-NZQKXSOJSA-N 430.980 4.721 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 1740838943 CCLPJLYXCYTTOD-UHFFFAOYSA-N 442.604 4.733 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740865396 NAYBOQWCVRRNCI-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](c1ccco1)N1CCCC1 1740891830 KGPXLBSHIIRVPG-UYAOXDASSA-N 439.535 4.610 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1740949146 JOLCNJOEINGDHO-HSZRJFAPSA-N 437.632 4.608 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](c2ccnn2C)C1 1748703382 ZOKNPVDINFORCY-KRWDZBQOSA-N 440.954 4.659 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@H]2CC)CC1 1748983310 NPFFNVVYBDOLMN-QZTJIDSGSA-N 446.426 4.833 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1749213532 MJRIBMBUQUNTLA-MBSDFSHPSA-N 443.979 4.794 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1Cc1cccs1 1749277550 GCPINMDOIRCHSF-GOSISDBHSA-N 439.972 4.754 30 10 IJEE C=CCCCCn1c(N2CCC(c3ccsc3)CC2)nnc1[C@]1(OCC)CCOC1 1749409706 YMSLIQBFPHGURG-QHCPKHFHSA-N 430.618 4.732 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCCCC1 1749590668 CWXUCCDIIUVQSR-UHFFFAOYSA-N 427.637 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCn1cc(C)cn1 1760340451 AFXOPYLICQDMJG-UHFFFAOYSA-N 436.604 4.762 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760340955 UEDLUXCHRIRBHW-XUZZJYLKSA-N 437.588 4.582 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1760417685 GZJSQBSONOYLHK-MOPGFXCFSA-N 434.506 4.921 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1COC(C)(C)OC1 1760423797 MXGMWVSQDLOGGJ-UHFFFAOYSA-N 448.995 4.799 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(SC)CCOCC1 1760467028 RRIZHHHCVDWYPH-UHFFFAOYSA-N 444.645 4.823 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1cccc(Br)n1 1760483970 IELREHJZZXSALV-UHFFFAOYSA-N 432.391 4.861 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 1760542725 JQHGNAXDOPFKJF-ARNLJNQMSA-N 438.616 4.734 30 10 IJEE CN(CCn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1)C1CCCC1 1768911590 GZECOIFMQORPMI-UHFFFAOYSA-N 444.986 4.742 30 10 IJEE Cc1cc(Br)cc2c1N(CCCOc1cccc3ccccc13)C(=O)C2=NO 1772728820 DOHMPHGEQAVJRW-UHFFFAOYSA-N 439.309 4.905 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1ccc2nc(-c3ccco3)oc2c1 1859741805 AWEWFGDILICRTA-UHFFFAOYSA-N 446.426 4.946 30 10 IJEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 1859855797 CNKQYLWRUOXMSY-UHFFFAOYSA-N 440.528 4.842 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862470779 WAYRGDMKKFURHQ-LJQANCHMSA-N 439.309 4.919 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862477468 XRNGUKWQAGZFJR-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccn2)cc1 1862493881 ZWGUTFVNUNUDFV-XMMPIXPASA-N 442.515 4.876 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc2ccccc12 1862549429 OWLRXMRSSNWLFM-GKVSMKOHSA-N 441.527 4.678 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccccc2F)cc1 1862556235 RMJQEGALQBESLV-QHCPKHFHSA-N 430.479 4.537 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc(O)c1 1862571087 HGUMLPPHIBETCQ-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862595187 KGWUHMCIRJBCLK-XMMPIXPASA-N 438.483 4.695 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862670647 YVNYUZCJLKMJKH-QHCPKHFHSA-N 435.520 4.958 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 1862688351 WOWJUASQYPOTBZ-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F 1862736523 ZKUGJIAGJSIUMU-RFVSGWPVSA-N 438.455 4.891 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(c3ccc(F)cc3F)C2=O)c1 1862946587 VQOPOWCHUMBWIY-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862975427 IUIDHCDXBFVELJ-UHFFFAOYSA-N 448.482 4.615 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(CC)CC)=C(c2cc(C)ccc2C)C1=O 1863741389 NSOFPUBMTBUUIM-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc(O)c3ccc4ccccc4c3n2)c(C#N)c1C 1866512046 GHVZGPWBWFAFCL-UHFFFAOYSA-N 431.473 4.764 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@H](c1ccccc1)C1CC1 1868681443 DFVVLPRXVMGALQ-RPBOFIJWSA-N 434.555 4.638 30 10 IJEE C=CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870809501 GSXABYAEDHBYON-UHFFFAOYSA-N 439.899 4.944 30 10 IJEE C=CCOc1cn(Cc2ccccc2F)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1870813408 JXJKRVWMCQWRGN-UHFFFAOYSA-N 433.527 4.813 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)cc(C)c2C1=O 1871424714 UJPXKEQSPGYYQC-YNJLWJOVSA-N 443.499 4.876 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(C)cc2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871514345 IHLIJVLURVVRPU-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871538375 XQPUQDZJPOTBHR-UHFFFAOYSA-N 441.366 4.556 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c(C)c1 1872424214 FOOZANSODLQSKT-GOSISDBHSA-N 434.989 4.859 30 10 IJEE CCc1ccc(-c2csc([C@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 1872761258 JIQOEHOPQUONCT-HXUWFJFHSA-N 443.528 4.625 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(O)cc1 1874214083 USLUDPZBWCRDIX-HZHRSRAPSA-N 428.945 4.809 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc(O)c1 1874222616 ZMXGRHLTVBNXSD-BUVRLJJBSA-N 438.553 4.554 30 10 IJEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2cccnc2)cc1 1874352462 LLWHXOINYMIEDT-CVKSISIWSA-N 429.549 4.873 30 10 IJEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874387751 CVGKUUVGQSPTFG-VULFUBBASA-N 448.523 4.902 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c1 1874460777 GCYOVZJYIODSCE-YSURURNPSA-N 440.422 4.628 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2ccc(F)cc2F)o1 1874488478 YUDXNEJBPPCAHN-BHGWPJFGSA-N 448.495 4.699 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1sccc1C 1874494017 ASIIARFAOQUJAA-WSDLNYQXSA-N 425.583 4.837 30 10 IJEE COc1cc(/C=N/n2c(C)nnc2SCc2cccc3ccccc23)cc(OC)c1O 1874533348 DTWZUMPCLSEGJK-ZMOGYAJESA-N 434.521 4.637 30 10 IJEE CCCOC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccccc2)cc1OC 1874614473 IKEQPPBASTYPJQ-MDZDMXLPSA-N 433.298 4.686 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(CCc3ccccc3Cl)nnc2s1 1874769564 LRBHCDRKCMPGRY-UHFFFAOYSA-N 434.009 4.991 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 1875118243 SJZUZTHOIFYZOE-UKTHLTGXSA-N 433.416 4.727 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1875136051 UTXWODIQEWJTBG-WLRTZDKTSA-N 447.443 4.792 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc(OC)c1OC(=O)C1CC1 1875181858 AJINJBJGNJYROQ-VMPITWQZSA-N 430.884 4.886 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3F)cc2)c(OC)c1OC 1875194458 SYSHCRIQKQUQLT-GXDHUFHOSA-N 436.435 4.967 30 10 IJEE C=CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(NCCc3ccc(F)cc3)ncnc21 1875228083 YLITYZTWWMHMTQ-QZTJIDSGSA-N 435.547 4.529 30 10 IJEE C=C(COCCC)[C@H](C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)NCCC 1947484524 KWYVQRGAZLFBHR-GOTSBHOMSA-N 434.621 4.838 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1953158335 RZDSYPREJGYMKB-XMMPIXPASA-N 429.561 4.963 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2020326646 LENLAYDWBIYCHK-PMACEKPBSA-N 437.625 4.615 30 10 IJEE C=C(COCC)[C@@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071345583 JTBVWEHCYSMSPJ-SXOMAYOGSA-N 433.548 4.798 30 10 IJEE Cc1c(C(F)(F)F)nn(-c2ccc(F)c(C(F)(F)F)c2)c1I 2079824652 CSRDTPUJLZEMTA-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CC1(C)CN(C(=O)OC(C)(C)C)CCN(c2ccc(C#N)c(Br)c2F)C1 2118198039 BKSHHUIUNXWNOD-UHFFFAOYSA-N 426.330 4.543 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 2159125423 NGQOMXSESYAZRD-UXHICEINSA-N 437.422 4.975 30 10 IJEE N#Cc1ncc(Br)cc1N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2167559903 CWSFMJGGHHZLDD-JOCHJYFZSA-N 425.374 4.598 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181144077 PQCFMQAEVXIEFY-CABCVRRESA-N 436.350 4.590 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(CCC(F)(F)F)Cc3ccccc3)s2)OC1(C)C 2247865352 TUXHWLKERAQYCA-UHFFFAOYSA-N 439.308 4.642 30 10 IJEE CCCN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1)C1CCN(Cc2ccccc2)CC1 2255536366 IAYHJIJEFYTOOW-UHFFFAOYSA-N 426.410 4.516 30 10 IJEE C[C@H](NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2255866953 WXEOCDADFQFIJO-QGTPRVQTSA-N 430.354 4.693 30 10 IJEE C=CCN(C[C@H](NCCC)c1ccc(Br)c(OC)c1)C(=O)OC(C)(C)C 2266701474 IHXJXXRWIXTDTH-KRWDZBQOSA-N 427.383 4.922 30 10 IJEE Cc1cc(Br)c(Cl)cc1Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284361287 DADUMWWFHNSUOW-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE C[C@H](C[C@@H](O)C#Cc1cccc(Br)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296228655 BCODRRFSCLGOCF-POAQFYNOSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@@H](N)C#Cc2cccc(Br)c2)C12CCC2 2296289352 QODCMLPXOJJBHJ-YTQUADARSA-N 433.390 4.602 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CCC1(C)CN(C(=O)OC(C)(C)C)C1 2296300181 DVHMDUZZONBTQQ-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C(C)C)CCN(C(=O)OC(C)(C)C)C1 2296308523 JPLGTXNXAAGWEG-UGKGYDQZSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#C[C@H]1CC1(F)F)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2302312975 MPENTKGCWVFWIP-HBMCJLEFSA-N 436.543 4.513 30 10 IJEE Cc1cc(OC(=O)c2ccc3c(c2)OCO3)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2322779764 FILOYDDNNCFHFX-UHFFFAOYSA-N 443.455 4.625 30 10 IJEE Cc1cc(OC(=O)c2cccnc2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2322807629 PQPGRYYYLSZGEM-UHFFFAOYSA-N 449.846 4.745 30 10 IJEE CN(C)C1CCN(Cc2c(O)ccc3c2OC(=Cc2c(Cl)cccc2Cl)C3=O)CC1 2324156424 MNTRNDSGIFCVSR-UHFFFAOYSA-N 447.362 4.841 30 10 IJEE Cc1c(OCCN2CCOCC2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325675217 UWMRCNZADHIXAA-UHFFFAOYSA-N 434.319 4.629 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccccc1Cl 2326202867 FPSGMPWJAOVUDR-UHFFFAOYSA-N 442.972 4.894 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cccc(OC(C)C)c1 2326755463 UYPIKHOWNOTGDN-UHFFFAOYSA-N 438.553 4.589 30 10 IJEE CCOc1c(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SC)cccc1OC 2328003460 GIWZXPBCKODRLM-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE Cc1cccc(OCc2nnc(SCCCO)n2N=Cc2c(F)cccc2Cl)c1C 2328863017 PHIHMTDCHQQNIL-UHFFFAOYSA-N 448.951 4.623 30 10 IJEE CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(Br)cc1 2329262903 NIPAWSBAYVTMLW-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)c(OC)c2)c1 2330799842 JVRHUYDEGYZAKY-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)cc1 2330954779 CKEWRWCRVFCCCD-HXUWFJFHSA-N 426.517 4.842 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccc(F)cc3)nnc2C(C)(C)C)c1 2331376237 OPHDKTXGKWMAEG-UHFFFAOYSA-N 428.533 4.906 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccccc1 2331445128 JULAZEABWUIHGL-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)C(F)(F)F 2331533349 MKVBVDYRUQPPSM-UHFFFAOYSA-N 447.178 4.961 30 10 IJEE CC1(C)OB(c2ccc(COC[C@](C)(F)C(F)(F)F)cc2Br)OC1(C)C 2377307406 FCQQFZRISVPELE-INIZCTEOSA-N 441.068 4.555 30 10 IJEE C=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(NC(C)=O)cc1 12528948 KZPIGYNNUXZWOS-YJSNIEKLSA-N 442.491 4.745 30 10 IJEE COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc(OC)c1OC 20882691 TYHXOIADXLIZDD-UYAOXDASSA-N 449.547 4.840 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)S/C1=N\c1ccccc1OC 33787642 GEPJESOXCXAUMY-GOTYSUTNSA-N 431.945 4.637 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)C(C)C 36119263 SXJUWVWOLKKOHP-OAQYLSRUSA-N 440.609 4.540 30 10 IJEE COc1cccc(N/C(=N\C(=O)c2ccc(C(F)(F)F)cc2)NCc2ccccn2)c1 46125428 FIZDRBNJJTUIRB-UHFFFAOYSA-N 428.414 4.507 30 10 IJEE CCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc(SCc4ccccc4F)nn32)cc1 54641605 BYBLCDXSSVXGJI-OAQYLSRUSA-N 438.528 4.986 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 65285092 MUXOWMWHGNIITN-CQSZACIVSA-N 438.446 4.891 30 10 IJEE CCOc1ccc2ccccc2c1C(=O)NCC#CCOc1cccc2c1OC(C)(C)C2 90733298 UBXSPJZDUNVIBJ-UHFFFAOYSA-N 429.516 4.764 30 10 IJEE COc1ccc(NC(=O)N2CCC[C@]3(C2)Nc2cccnc2N/C3=N\C2CCCC2)c(C)c1 96309841 CHYNNLTVHAAAIF-RUZDIDTESA-N 448.571 4.644 30 10 IJEE biogenic Cc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)C[C@H](C(C)(C)C)CC4)C2=O)cc1 100583724 JIRQRVYPWDZGMF-NQIIRXRSSA-N 433.577 4.837 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OC(=O)c4ccco4)c3C)C1=O)cn2C 102719668 XYHYAWQAEOHJMG-JJFYIABZSA-N 429.428 4.924 30 10 IJEE CCCOc1ccc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1[N+](=O)[O-] 169940974 BWEUBRKLFUHBHC-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169962565 PLFWPXQTMKDSBH-QFIPXVFZSA-N 433.435 4.637 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@@H]2c2ccncc2)cc1 170022319 FLCJKKUHKHRLQA-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2c[nH]c3ccccc23)ccc1F 170077125 YTRGXVHRNRBHJX-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCOC(C)C)c1 170139720 RYLVWLDKZAFXEU-HSZRJFAPSA-N 437.536 4.786 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(OC(C)C)c1 170153295 HJGJLUVVKHWNTF-IBGZPJMESA-N 428.554 4.926 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccnc1 170196984 XKWBMUNYDRCVJA-GOSISDBHSA-N 447.318 4.918 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccncc1 170199846 KCQXQYWQKHCUDG-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(OCC)cc1 170213950 UMZBIHLGOWZAOW-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)cc1 170224968 KVCAHIPUEQCZLU-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 170237885 WPIKVYDCUCINRP-QHCPKHFHSA-N 437.511 4.708 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1F 170252438 VMOUAUWLEUWRTA-QFIPXVFZSA-N 438.543 4.572 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1O 170271931 QXHXYALDCOSKKV-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1C(C)C 170292537 WLCUEDHICCXLMX-HSZRJFAPSA-N 446.503 4.975 30 10 IJEE Cc1nc(COc2ccccc2/C=C\C(=O)N[C@H](C#N)c2ccc(F)cc2F)cs1 208413806 JDMRVKSGXYHDSN-QKWWCAPFSA-N 425.460 4.703 30 10 IJEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccccn1 255755121 JOLHFXXITMIORN-NRFANRHFSA-N 448.523 4.690 30 10 IJEE C=CCC(CC=C)C(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 467536599 HHZCPCNLMNBIJL-UHFFFAOYSA-N 426.454 4.590 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)Cc1csc(C(C)(C)C)n1 506882250 WBNICZUFVNEXTE-UHFFFAOYSA-N 436.990 4.512 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 508496011 BTBNQJXIGMXEAO-SFHVURJKSA-N 434.487 4.713 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 517465666 AZNAUSMZNHETCV-KRWDZBQOSA-N 446.576 4.764 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526486493 MGPNUFADDMPXIN-XMMPIXPASA-N 442.471 4.815 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])o2)c1 526517162 TYYSQYVWZRTTBY-JOCHJYFZSA-N 445.431 4.905 30 10 IJEE COC(=O)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1 526607652 SBUAFYWTJDXYAK-QFIPXVFZSA-N 428.419 4.541 30 10 IJEE Cc1ccc(SC2=C(N(C)Cc3ccccc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526685313 QPWXWKCLJJXSSA-UHFFFAOYSA-N 439.540 4.876 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1OC 526806669 PUVMZGZPRKEJPJ-MSXFZWOLSA-N 446.960 4.912 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2C)cc1[N+](=O)[O-] 526810579 AVVZUQPJMVIPHR-UUYOSTAYSA-N 425.514 4.685 30 10 IJEE CCc1ccccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(OC)ccc1OC 586250404 ZXZJXOSDFFLGIQ-UHFFFAOYSA-N 436.533 4.533 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 608941646 VWDFFWPJCOKUFK-XWGVYQGASA-N 447.535 4.583 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccccc2)cc1 619820788 KPHOEGNRFFLCOH-IBVKSMDESA-N 445.567 4.995 30 10 IJEE C=CCC1([C@@H](Cc2ccc(Br)o2)NCCC)CN(C(=O)OC(C)(C)C)C1 722919991 GAHXNDRXTDXARJ-MRXNPFEDSA-N 427.383 4.766 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1=S 726592982 UYDZPVRZRHTAHB-KRWDZBQOSA-N 440.548 4.504 30 10 IJEE COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728297490 GVEJLCCWTQACRX-QZTJIDSGSA-N 447.510 4.963 30 10 IJEE C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1nc(-c2ccc(Br)cc2)no1 755157400 MUAMFZRMHKGAJI-GFCCVEGCSA-N 447.720 4.906 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(OCc4ccccc4)cc3)CCO2)c1 762311699 DWOAYNMCZPTBAX-PVHODMMVSA-N 438.527 4.841 30 10 IJEE CC(=NNc1nc(O)c2cnn(C(C)(C)C)c2n1)c1cc2cc(Br)ccc2o1 769807086 FWUMDGHFVMHHRI-UHFFFAOYSA-N 443.305 4.632 30 10 IJEE N#Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)ccc1F 803117438 WNKXSRXKSWXQGL-JOCHJYFZSA-N 440.421 4.675 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 803525800 VELCNUZRTNFBIQ-RCZVLFRGSA-N 444.962 4.952 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1ccc(F)cc1 812909472 GRQANIPELQEYJL-SFTDATJTSA-N 434.433 4.986 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1)Nc1ccc(Cl)cc1 1084534401 SPQGYSMURYVOCB-UHFFFAOYSA-N 436.928 4.788 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC(C)C)[C@H](CC)c2ccccc2)ccc1F 1125887096 PLEVVRSEKOYTRF-OAQYLSRUSA-N 432.561 4.540 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1)c1ccccc1 1126147628 HVHWXENUPFXXTL-DHLKQENFSA-N 448.607 4.827 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)cc1 1128940924 RWDDXEBCBKJMGX-HXUWFJFHSA-N 438.877 4.707 30 10 IJEE C=CC[C@@]1(C(=O)N2CCc3ccc(Br)cc3C2)CCCN1C(=O)OC(C)(C)C 1128957550 KOZNULXJPVVTKQ-QFIPXVFZSA-N 449.389 4.680 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 1129379268 HYBRJJKBARIOEV-DQEYMECFSA-N 425.532 4.833 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1nnc(-c2ccsc2)o1 1129588907 QUOWTEZEORSSGE-UHFFFAOYSA-N 434.315 4.697 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1c(C(F)(F)F)nc2n1CCCC2 1129590290 BHXGPRJBEAHSQD-UHFFFAOYSA-N 444.251 4.818 30 10 IJEE C#C[C@H](NC(=O)Cc1cc(Br)ccc1Cl)c1ccc(Br)cc1 1129731485 UXSUBNGNTLWAOU-INIZCTEOSA-N 441.550 4.898 30 10 IJEE C#CCC1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CCCCC1 1134071374 RTOQHSMMTGSPMH-UHFFFAOYSA-N 427.548 4.933 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(Br)cnc1O 1136589215 CTLWWZZAAUTICK-UHFFFAOYSA-N 438.281 4.561 30 10 IJEE C[C@@H]1CN(c2ccnc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c2)C[C@@H](C)O1 1148215749 BFKUGQFDMORMIW-IAGOWNOFSA-N 446.482 4.751 30 10 IJEE N#Cc1cnc(Nc2ccc(CCn3cc(Br)cn3)cc2)c(Br)c1 1162543284 CWABILQRQPVFSN-UHFFFAOYSA-N 447.134 4.661 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 1186451712 ZNBNKUKRVYZVKA-UHFFFAOYSA-N 426.519 4.650 30 10 IJEE C=CCn1c(SCCOC2CCSCC2)nnc1-c1ccc(Br)cc1 1188291330 GDLCRZFKAYAGDQ-UHFFFAOYSA-N 440.432 4.898 30 10 IJEE C/C(=C/c1ccccc1OC(F)F)CNc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1202638701 QAFHKOYLKZQUAD-INQCSQGASA-N 449.523 4.616 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cnc(-c3ccc(Cl)cc3)s2)cc1 1203619114 SIGGKUFIHIAMEH-UHFFFAOYSA-N 433.986 4.882 30 10 IJEE C#CC[C@H](NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)c1ccccc1 1230565164 FQKKJACPWROBDB-LBPRGKRZSA-N 429.211 4.569 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)c1ccc(Cl)cc1 1252449752 UTPXGIHLLSQYMT-NTKDMRAZSA-N 448.007 4.987 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](Cc1ccccc1)c1ccccn1)c1ccc(Br)cc1 1252458816 MSGHLOFCTGCZNU-UNMCSNQZSA-N 448.364 4.844 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1264230590 ZRBXHJAOLSGSOI-UHFFFAOYSA-N 443.565 4.596 30 10 IJEE C=C(C)CN(CC)C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1264340029 FAFSCLSHILURDP-UHFFFAOYSA-N 446.473 4.859 30 10 IJEE C=CCCn1cc(C(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nn1 1264806961 JKLZLQAZVGUZQV-UHFFFAOYSA-N 443.429 4.686 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286357295 SNFZJJQIOLUPAJ-NVXWUHKLSA-N 437.371 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](OC)[C@H](C)CC 1286518971 OHSKBTOEXPOOBN-CVOKININSA-N 428.552 4.610 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2CCC(OC)CC2)CC1 1286638932 RNKYUCZWFSDGLI-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1286665011 OTFCEBTUIWTTAP-XMMPIXPASA-N 429.008 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1286670083 CPZJOWSFLFCEHZ-MOPGFXCFSA-N 448.615 4.809 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1286697541 POCDXBZUIMPOPN-RBUKOAKNSA-N 427.568 4.572 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C(F)(F)F)cs1 1286713375 FAXFTUYIFFZOBK-GFCCVEGCSA-N 441.454 4.703 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1286734816 IEENJCIRDXDRDY-ROUUACIJSA-N 444.023 4.882 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CC1(CC)CCCC1 1286740208 FIVZQQHCXBMNNC-UHFFFAOYSA-N 432.572 4.907 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCOC[C@H]1C 1286750352 YREVJADTUUPFFN-UYAOXDASSA-N 440.588 4.935 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccccc2)CC1 1286833979 WFYPWGIPTYJFMY-UHFFFAOYSA-N 439.654 4.937 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)CN1CCCC1 1286959776 ALBYLUGLCNHPEI-RTBURBONSA-N 440.661 4.603 30 10 IJEE C#CCN(C(=O)c1cc(C)n(CC2CC2)c1C)[C@H]1CCOc2ccc(Br)cc21 1293513771 PXPWDHOCSFKVNI-NRFANRHFSA-N 441.369 4.877 30 10 IJEE CCN(CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)CC1 1295464765 GOAYNPWQJVJGIG-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1Cc1nc(C(C)C)cs1 1300808956 YSQWOHFASBAAEJ-RUZDIDTESA-N 449.624 4.692 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccnc(SC)c1 1300909237 PJDOMYNZISYXMT-UHFFFAOYSA-N 445.596 4.698 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1300996512 HIRFTACTEQUSNY-QFIPXVFZSA-N 445.007 4.835 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C(C)C)N2CCCC2)CC1 1301095992 RZOUGOCASMAIRZ-QHCPKHFHSA-N 437.632 4.696 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2CCC(OC)CC2)CC1 1301111663 AWRQHLBUAIIIFZ-UHFFFAOYSA-N 440.588 4.570 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCC2)CC1 1301231801 QIEPKZIDJOSZBY-UHFFFAOYSA-N 437.632 4.795 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS[C@H](C)C1 1301260285 YUXJYIZIVYXQKO-MRXNPFEDSA-N 439.050 4.758 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1301320408 CGNGFXWPSJRXPP-RTBURBONSA-N 443.039 4.906 30 10 IJEE C#Cc1ccc(S(=O)(=O)NCC2(c3ccccc3Br)CCCCC2)cc1 1309513891 WOTCNKDNDCPLIE-UHFFFAOYSA-N 432.383 4.611 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)c1ccc(Cl)cc1F 1310115336 JLCIMDFPFBUPKH-GOSISDBHSA-N 429.879 4.501 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl)c1ccc(Br)cc1 1312528914 GPJYNWJKPFWIPP-VMDGZTHMSA-N 435.749 4.852 30 10 IJEE C=CCCCCNC(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1312541410 GFDKCPUUFVRJID-DVECYGJZSA-N 429.561 4.545 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C)c1ccc(Br)cc1 1312938154 XKTWSWXKJSRIJP-RTBURBONSA-N 449.389 4.809 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(c(OC)c1)O[C@H](C)C2 1352318598 NGMWWMVWABMSQX-CYBMUJFWSA-N 434.305 4.749 30 10 IJEE C#CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 1353397635 ATPLVZLBSLPWDS-UHFFFAOYSA-N 432.593 4.772 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c1 1354646568 OJLMAZICHYXWCT-UHFFFAOYSA-N 441.531 4.863 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1358908277 ROEUGOQXOHXPAQ-IAGOWNOFSA-N 443.389 4.754 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)CC1 1358920853 JFZTUXFHJRJXMG-JPYJTQIMSA-N 430.980 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1sc(C)nc1C 1359004266 PVXSIRRFYCKZNS-UHFFFAOYSA-N 447.564 4.698 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1359013696 IPBXSIZQUPGLJA-YKSBVNFPSA-N 438.616 4.675 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359185365 UGRHKBSWZDWMSY-QGZVFWFLSA-N 443.592 4.894 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(F)(F)F)CC1 1359200583 KRAAPGIBESOAPM-UHFFFAOYSA-N 444.505 4.534 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359289800 LLWMZKPKYADSND-JOCHJYFZSA-N 437.632 4.554 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2sc(C)nc2C)C1 1359317822 QYRJKPJGCMSTQA-INIZCTEOSA-N 429.977 4.501 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1359341694 FJAIATUXYRKYMU-JOCHJYFZSA-N 442.629 4.795 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@@H](C)n2cc(Br)cn2)c1 1361103935 JXHDFWXCVPBBQL-OAHLLOKOSA-N 428.355 4.873 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)cc2F)[C@H](c2cccc(Cl)c2)C1 1436020729 DIPSYXKCGRNRQT-FQEVSTJZSA-N 443.906 4.785 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1437072374 SLHCINMVESTBPI-PIPMEXSNSA-N 426.919 4.658 30 10 IJEE C=C[C@H](OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)c1ccccc1 1437644343 NIMAMEIBFOXOGJ-UUOWRZLLSA-N 433.529 4.911 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 1442182479 MUSKLDJXHNAPBO-SJLPKXTDSA-N 438.952 4.609 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 1448353113 NAEFHIWKWHJSJL-HNNXBMFYSA-N 434.430 4.955 30 10 IJEE C=C(C)[C@H](CC(=O)N(Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC 1456128060 XLYYRKJRKDBSMR-VXKWHMMOSA-N 430.589 4.786 30 10 IJEE C#CCN(CC)[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 1459604626 ARNQTESMHHGNBY-VGOFRKELSA-N 438.593 4.685 30 10 IJEE CC(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)C4CCC4)cc3)c2C#N)C1 1460469608 GKONKPIHBCMVNU-MRXNPFEDSA-N 442.606 4.959 30 10 IJEE C=CCNC(=O)Nc1ccc(NCc2cn(-c3ccc(Br)cc3)nc2C)cc1 1461212316 UKNIOCPLRDPBMF-UHFFFAOYSA-N 440.345 4.863 30 10 IJEE Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 1464966636 AVLYKHIPXAMZPZ-HSZRJFAPSA-N 449.551 4.503 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C(F)F)C1 1466039338 NAOYUZMZMPUKCN-JOCHJYFZSA-N 440.490 4.583 30 10 IJEE C[C@@](O)(CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(F)c1 1466229290 DVSRRFFAIMITBT-DOTOQJQBSA-N 438.343 4.655 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 1466287358 LFZCKYNEIQQSJO-MAUKXSAKSA-N 440.491 4.646 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc2c(c1)nc(C(F)(F)F)n2[C@@H](C)CO 1474172733 BHUQHKHNDSHCFB-ZDUSSCGKSA-N 437.849 4.886 30 10 IJEE COc1ccc(Sc2ccc(NC(=O)N3CCc4c(sc(N)c4C#N)C3)cc2)cc1 1476096590 BDPUZIIEQIQLHE-UHFFFAOYSA-N 436.562 4.952 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccccc1 1478257080 HACUEEBRHBBENV-RJGXRXQPSA-N 427.976 4.718 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](CO)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1478272664 OHFMMNGBUPJILB-GHTZIAJQSA-N 436.474 4.797 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 1478461153 IJKGDYUYQOBZTE-VWLOTQADSA-N 428.532 4.911 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1478842751 CXBJIWDPCMVZLK-AVRDEDQJSA-N 438.369 4.972 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1507559113 NYMJYSQSWMIPFC-HXUWFJFHSA-N 437.588 4.503 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(C)(C#N)CC1 1507595799 XVLZFKIZYOHYEP-UHFFFAOYSA-N 432.355 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1Cl 1507804993 MYCNYLJYYYTMMH-WMZHIEFXSA-N 437.975 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)OCCc2sccc21 1507815904 IQKRSKNPGJOYSB-DEOSSOPVSA-N 433.581 4.769 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CCC)CC1 1507888645 OYGMVXSZYHVXMZ-NRFANRHFSA-N 439.387 4.871 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1507912240 NDQSWJFOGPKLHY-JOCHJYFZSA-N 448.615 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC)[C@H](C)C1 1507918834 IKBACUVSCZVYFD-GOSISDBHSA-N 432.012 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCOCC1 1507919831 QVBHLHJGCZQZDR-UHFFFAOYSA-N 439.387 4.993 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cc(C)cs1 1507930851 JOAHWHZLUHRNGI-UHFFFAOYSA-N 448.596 4.555 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCCCC1 1507930901 LIFQVZDMCWSMDS-UHFFFAOYSA-N 434.588 4.973 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2[nH]c(C)cc2c1 1507970214 FZGXZCOWGLOBPK-UHFFFAOYSA-N 439.361 4.506 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1ccncc1Cl 1508007766 GEBZMGDBMMHXQJ-LJQANCHMSA-N 441.938 4.601 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1508148509 TYEMNDSJMGLBER-LJQANCHMSA-N 441.645 4.939 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CC1 1509073057 DNQQOCZEEIRMIA-JOCHJYFZSA-N 437.588 4.560 30 10 IJEE CCCn1c(=O)n(CCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c2ccccc21 1518356599 HJUJGTFKXKHPLA-UHFFFAOYSA-N 440.503 4.906 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1520088508 SFTCOQSHTKJETI-DEOSSOPVSA-N 430.545 4.784 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 1521562081 GOIPVBYGHMOTAM-UHFFFAOYSA-N 446.484 4.812 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)CCCN1C(=O)OC(C)(C)C 1524283252 XRLDONINRKRWIS-QHCPKHFHSA-N 443.544 4.989 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1c(CC)noc1C)c1ccc2c(c1)OCCO2 1524359140 ZPZGLDJGQFZERA-UHFFFAOYSA-N 434.492 4.728 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCC)[C@@H](C)c2cc3ccccc3o2)ccc1F 1526668755 KSTLVRVCEXOLLA-INIZCTEOSA-N 444.528 4.650 30 10 IJEE C=CCC(F)(F)C(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1527520081 RCKQVEUPYBFUFB-UHFFFAOYSA-N 440.284 4.864 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccc(Cl)c(C#N)c2)C1 1528304112 IBGBIFQKRWZFJX-FXAWDEMLSA-N 431.964 4.853 30 10 IJEE N#Cc1ccc2nc(NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nn3)[nH]c2c1 1530614984 GLZVPOGHDKDXDF-UHFFFAOYSA-N 425.235 4.576 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](c3cccc(F)c3)c3cccc(Cl)c3)CC2=O)cc1 1533876724 FXIULHUKOOQARL-CYFREDJKSA-N 447.897 4.609 30 10 IJEE C#CCN(C(=O)c1ccc(F)cc1I)[C@H]1CCCc2ccccc21 1536279101 JIIMEVNTVYBTHA-IBGZPJMESA-N 433.264 4.583 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](SC)C(C)(C)C 1538971947 GCKQFHLKEGSBFN-PBHICJAKSA-N 435.435 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1cnn(C)c1 1538987940 YBJYBYQKYMWKFP-KRWDZBQOSA-N 448.571 4.637 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CC1(C)C 1539402348 ALKCDNHFBQBULG-GOSISDBHSA-N 438.572 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1539558833 NQPPPUJVXCRMOH-DSPLJNTKSA-N 426.992 4.718 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)OCC 1539656606 ZTARFOVNOBGOJL-UHFFFAOYSA-N 427.412 4.987 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1539744165 DGVSEZVHIOVHIB-UHFFFAOYSA-N 446.542 4.854 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2 1539857077 AEUAESWWQBBADO-UHFFFAOYSA-N 435.547 4.804 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc3ccccc3s2)CC1 1539874463 MZHOFIPJLUCUIE-KRWDZBQOSA-N 426.586 4.668 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1539965981 CSYJPBDINXVXLK-RJGXRXQPSA-N 429.653 4.619 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCN(C2CC2)C1 1540046897 AYDMAVDFLZFOAP-OALUTQOASA-N 444.023 4.795 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@](C)(O)c2cccs2)o1 1542312788 CJNXVFHPTISHSK-QFIPXVFZSA-N 427.574 4.582 30 10 IJEE C=CCNc1ncc(C(=O)NC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)s1 1544058231 VMAIJWZUNFERKS-UHFFFAOYSA-N 449.576 4.756 30 10 IJEE CC(C)(C)OC(=O)C1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 1544794642 ARBNJMRPNZDDSO-UHFFFAOYSA-N 434.536 4.768 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1 1546594189 DCUHGXNWSRCRGA-OXJNMPFZSA-N 436.947 4.569 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1546642474 IEPQZXDSIFWJEF-RBUKOAKNSA-N 438.595 4.739 30 10 IJEE C=CCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H](Cc1ccccc1)C(=O)OCC 1556205029 MNJVCMRJUORRHE-VWLOTQADSA-N 430.548 4.849 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)c1ccccc1 1562944914 HZXHTIAZVQLOIK-SFHVURJKSA-N 445.361 4.510 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1 1584070917 CNCLXIONXQYTPW-HXUWFJFHSA-N 441.457 4.553 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3c(Br)ccc(F)c3C2)cc1OC 1584533042 ZTFTZJYONXHQJX-WEVVVXLNSA-N 446.316 4.760 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCCO[C@H]2CC(C)C)nnc1-c1ccc(Cl)cc1 1585715095 NGXRBQPTPCVQEG-MOPGFXCFSA-N 449.020 4.587 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1587723302 IDTXSMODPVDLSV-HOTGVXAUSA-N 431.353 4.885 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1587724122 ZZXIAAVUWXSNJP-UHFFFAOYSA-N 448.880 4.638 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(F)cn1 1589243223 XNYYSOLNHFTFFN-AREMUKBSSA-N 447.558 4.863 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1589394605 JUAJXFUOJKWPCT-UHFFFAOYSA-N 446.349 4.922 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N(C)CCc1cccs1 1589557214 HCBGLYCJYRXMFS-ZJSXRUAMSA-N 436.625 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1589567134 ANVRCRBJBPPZKX-DPLHUUCSSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC2CCCC2)nc1 1589657922 NQESHASLSLLTFU-NRFANRHFSA-N 425.577 4.687 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(C)s1 1593826565 MWFAMBKGDYAAIJ-UHFFFAOYSA-N 440.798 4.805 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(OC)CCC(C)CC2)CC1 1594128777 VYRMWVJTOZGEMS-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1594492079 SBLKUPHTKNECBW-UHFFFAOYSA-N 442.629 4.591 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(NC(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C 1594529707 XILGZUQMYDQTGI-UHFFFAOYSA-N 438.620 4.968 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCSC1 1595084515 KCGMNXICJLHYNU-HXUWFJFHSA-N 440.638 4.885 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CCc1cn2ccccc2n1 1595119706 DFYPCHBWLABYHW-UHFFFAOYSA-N 432.547 4.798 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Cl)s1 1595658462 DQJDNRZBJUDAFE-KRWDZBQOSA-N 444.988 4.746 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC)C1 1595905305 GWGRMONTEGAJEG-MOPGFXCFSA-N 449.665 4.896 30 10 IJEE Cc1cccc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCCC(C)(C)C)n1 1612213131 ACCAFFKQQROMMX-HSZRJFAPSA-N 444.583 4.924 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(N2CCC(OC)CC2)cc1 1613474959 HDYDGZIHELYKGW-UHFFFAOYSA-N 434.609 4.962 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 1617120915 SRSQVFXIWZEGEI-NRFANRHFSA-N 431.577 4.632 30 10 IJEE N#Cc1ccc(Br)c(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 1621218971 DFXQMSPBHIMOCM-UHFFFAOYSA-N 438.291 4.657 30 10 IJEE CC(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1622017020 FYDOFJWCPZHKIG-SFHVURJKSA-N 447.560 4.859 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 1623761282 AYRDRGGJTWXVID-UHFFFAOYSA-N 434.561 4.933 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1Br 1624633840 HRMAMFYFMIXEOH-ZDUSSCGKSA-N 437.700 4.514 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCSCC2)cc1C 1627084274 QJEPQGDTGOADAK-SFHVURJKSA-N 440.009 4.523 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(F)ccc1N)c1ccc2c(c1)OCCO2 1627420812 CHYIIYCBYKSJQO-UHFFFAOYSA-N 434.467 4.591 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@H](OCC)C12CCC2 1631922955 ARGFXETUSAYTGQ-ROUUACIJSA-N 425.342 4.634 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1)c1ccccc1 1633416976 IHWIQNNRYNEEKG-URXFXBBRSA-N 449.595 4.578 30 10 IJEE C/C(=C/C(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(F)cc1 1634423738 KKEFWLSPECYSOO-DVESRUBUSA-N 435.339 4.814 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H](C)c3ccccc3Br)n[nH]2)c1C 1636946571 DPKKHXJWSDBHME-CQSZACIVSA-N 442.361 4.672 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](Sc4cccc(Cl)c4)C3)n[nH]2)c1C 1637445417 GSJXJLFCSDPLSY-GOSISDBHSA-N 441.988 4.736 30 10 IJEE Cc1cc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cnc1NCc1ccc(Cl)cc1 1637823700 HAEPPGYAPFNNEQ-UHFFFAOYSA-N 449.942 4.816 30 10 IJEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CSC(c2ccccc2)c2ccccc2)CC1 1643353109 BHGXJOGJLBXLNB-QFIPXVFZSA-N 447.629 4.980 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 1643653275 KYQGHKWFCWPGFZ-INIZCTEOSA-N 433.348 4.752 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1644457541 UBRPFGNKOBZZEC-QFIPXVFZSA-N 438.369 4.813 30 10 IJEE C=C(C)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1cnn(C(C)C)c1 1645608746 GFZSDWUDZFOLDL-UHFFFAOYSA-N 444.583 4.760 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 1646383527 KVSQKZUTPJOIAM-AWEZNQCLSA-N 439.364 4.832 30 10 IJEE C#CCC1(NC(=O)CCSCc2nc(O)c3c4c(sc3n2)CCCC4)CCCCC1 1646456825 IQBCZQXUEUXNLA-UHFFFAOYSA-N 443.638 4.741 30 10 IJEE C=CCC[C@@H](C(=O)N1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1647927835 KMTPLOJESOZXMC-IFMALSPDSA-N 442.600 4.753 30 10 IJEE C#CCN(Cc1nc(-c2c(F)cccc2F)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 1648317918 IIXHSDMNKMKYAA-UHFFFAOYSA-N 447.551 4.923 30 10 IJEE C=CCn1c(SC[C@@H]2CN(CC)C(=O)O2)nc2scc(-c3ccc(C)cc3)c2c1=O 1652348882 FTOAKYFDYOLYKS-INIZCTEOSA-N 441.578 4.552 30 10 IJEE C#CCN(Cc1noc(C2CCCCC2)n1)[C@H]1CCOc2ccc(Br)cc21 1652515046 HNLKAGHRMFJETQ-SFHVURJKSA-N 430.346 4.839 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 1655297697 ANZFVAFMGHSRCM-UHFFFAOYSA-N 428.863 4.831 30 10 IJEE C#CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[C@H](C)C3 1656100450 FERGNRJRSIQULY-AWEZNQCLSA-N 445.009 4.967 30 10 IJEE C=CCn1c(SCC(=O)N(C2CCC(C)CC2)C2CC2)nnc1-c1cccc(OC)c1 1656343721 HJKIWFZZAXXGES-UHFFFAOYSA-N 440.613 4.802 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)Cc1cc(Br)ccc1O 1657427673 IENSHEMBZAMKPV-HNNXBMFYSA-N 437.403 4.641 30 10 IJEE C[C@@H]1C[C@@H](CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCN1C(=O)OC(C)(C)C 1657957201 AVIGIGQNHMLTCF-XQBPLPMBSA-N 447.023 4.558 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c1 1658979281 IWNDCUFSWFPUCP-UHFFFAOYSA-N 429.948 4.653 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 1660920251 DXYNGMOMWUBUEV-UHFFFAOYSA-N 427.488 4.665 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCN(CC2CCCC2)CC1 1662577574 SRQKHHDJBLSLKB-UHFFFAOYSA-N 436.394 4.790 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2cc(Cl)ccc2OC(F)F)CC1 1662880904 GWRAUOTYAAZDFB-UHFFFAOYSA-N 436.846 4.720 30 10 IJEE C=CCC[C@H](CO)NC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1665595618 OWYAQYNZRZDAKG-PKTZIBPZSA-N 441.641 4.597 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)c(Cl)c1 1668551414 CWEMRYWPBWHRQH-JOCHJYFZSA-N 426.923 4.724 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(=O)OC)c(Br)cc1C)c1ccc(Cl)cc1 1669784089 UMHDSHLXUKILBN-MRXNPFEDSA-N 435.705 4.694 30 10 IJEE O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N1CCc2ccc(F)c(F)c2C1 1670426453 BYZOSGQAOLFIPG-MRXNPFEDSA-N 436.327 4.938 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H](OC)C1(CC)CC)[C@@H]1CCOc2ccc(Br)cc21 1670855858 UOPSMTBSOSJAMW-RLLQIKCJSA-N 449.389 4.511 30 10 IJEE CO[C@@](C)(CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 1674171509 IFNVKAPUHBYYBN-VWLOTQADSA-N 433.483 4.960 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCC1(c2cccc(Br)c2)CCCC1 1678937401 GSFRWXONRXJEPX-UHFFFAOYSA-N 441.369 4.772 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)c1ccccc1 1683733795 LAOWBDBPLXSSNJ-XZOQPEGZSA-N 441.597 4.700 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](C1CC1)C1(CO)CCOCC1)c1ccc(C(F)(F)F)cc1 1685819306 AGDITJAWRIWLSI-WOJBJXKFSA-N 440.506 4.580 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccco1 1689881520 SUAOJQCKBMNKRG-UHFFFAOYSA-N 443.345 4.749 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1c[nH]c2ccccc12 1689952493 HQKXLFIKDCQOOV-UHFFFAOYSA-N 440.370 4.563 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)C#C 1690155917 POZLJSGBHBENRM-MSOLQXFVSA-N 431.005 4.513 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1690331279 URWFGIUYIYABFF-OAQYLSRUSA-N 439.991 4.966 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2csc(C)n2)CC1 1690414543 ARJZGJCUDTXROF-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1690506174 FQSJEKMRNZRYTD-REWPJTCUSA-N 434.588 4.738 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690589952 HJTSHNBOWIUAHL-FXAWDEMLSA-N 443.389 4.867 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@@H](C)C1 1690685024 UONCTHCOVUKDEK-SQXWHWBNSA-N 438.616 4.902 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1)c1cccnc1 1693677230 HENKRCMFMSHEIX-YKSBVNFPSA-N 444.583 4.800 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC1(CCC)CC1 1705503418 WNBKYJOIQHYRCQ-INIZCTEOSA-N 431.378 4.658 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1705511514 WXSMWYKTFSXSRX-ICSRJNTNSA-N 438.572 4.543 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)s1 1705619877 DVCFUOFRNPAJLZ-KRWDZBQOSA-N 444.963 4.714 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1705662731 JDLNVAKKYLKBBY-UHFFFAOYSA-N 444.576 4.744 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CC=CCC1 1705682609 GFUKCSLPUMDNEB-INIZCTEOSA-N 447.377 4.663 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCn2ccnc21 1705720000 SZBBMRNEZRRLHP-NRFANRHFSA-N 434.588 4.650 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2cc(OC)ccc2Br)nnc1C(C)(C)C 1705760136 AYTGKFLCRUENCM-UHFFFAOYSA-N 427.774 4.736 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](SC)C(C)(C)C)CC1 1705766122 NLBFAXKIHHRMRT-HXUWFJFHSA-N 430.618 4.896 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC=C(C)C)CC1 1705767402 AAOKKYFCJGRAKU-HXUWFJFHSA-N 429.609 4.905 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(COC)CCCC2)CC1 1705783388 FMGLJOBZOUGBMT-UHFFFAOYSA-N 429.634 4.633 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705822509 HQZDJEUPGBSIGH-JOCHJYFZSA-N 434.588 4.687 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705913961 CIYXOPOXLXGMPR-IEBWSBKVSA-N 436.478 4.521 30 10 IJEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCSC2)CC(C)(C)C1 1708233779 BJWKXNOUUXRCDR-AZUAARDMSA-N 439.629 4.744 30 10 IJEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCCC1 1708269252 IBAPIQFOQSIYKH-SFHVURJKSA-N 425.602 4.641 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCSC2(CCOCC2)C1 1722311346 VOJSZFIADJRWBS-UHFFFAOYSA-N 431.005 4.504 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCC1CCN(CC)CC1 1722405035 GEGJMTOHXXFYIC-LJQANCHMSA-N 444.023 4.653 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1722451961 QJYUZIUAOLFHMY-UEXGIBASSA-N 428.577 4.693 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1722532251 GMQHAYHSPDEQHT-ZWKOTPCHSA-N 433.622 4.637 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCCO2)CC1 1722561594 UGGOGKMIPPNDPM-SFHVURJKSA-N 431.378 4.742 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2csc([C@@H](C)OC)n2)CC1 1722562425 YULKBETUQPXVOH-OAHLLOKOSA-N 429.977 4.967 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722607286 RKMVLVMYZNEJKO-UHFFFAOYSA-N 435.572 4.741 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC1CCC(OC)CC1 1722654857 XJUFCVGXFOWABX-IQWMQGJTSA-N 440.588 4.536 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2[C@@H]2C[C@H]2C(C)C)C1 1722716673 YDMPSYNQNFZXFS-QLFBSQMISA-N 437.407 4.767 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1740560595 MAHSWAXFCQSDJB-JXHRLWIKSA-N 425.646 4.613 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740713428 LGADMMBOJFVTIY-OALUTQOASA-N 442.629 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1740732847 SBGQWBPWNKOYQF-DQCZWYHMSA-N 447.671 4.926 30 10 IJEE C=C(Br)Cn1c(COCC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1740749551 YKEZSMPRIXLWPM-UHFFFAOYSA-N 433.394 4.590 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCC(F)(F)F 1740753075 FHRNRAFLYBUFPZ-WBVHZDCISA-N 428.886 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)C1 1740756847 RGYHYBSXLLUPFE-MDZRGWNJSA-N 431.378 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1Cl)N(C)C 1740770757 FNHOOXXBADIVDU-OAQYLSRUSA-N 426.996 4.642 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 1740788425 SMWJUQRCCWVPFZ-RXVVDRJESA-N 448.995 4.525 30 10 IJEE C=C(C)COCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(Cl)cc1 1740799372 JYUPQWZBXNWVCA-UHFFFAOYSA-N 426.952 4.931 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1740813319 CLDTXIVNZUEXAN-OAQYLSRUSA-N 430.980 4.622 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC1CCOCC1 1740846782 LOLNMIZYLAFCEI-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(C)(C)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1740855890 PEUIISXNJZEFRU-ATIYNZHBSA-N 438.616 4.917 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740869609 SLZHCNGQQOCWLC-FQEVSTJZSA-N 436.560 4.558 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](COC)C1 1740869658 UTDMMMPSUPHYKP-AWEZNQCLSA-N 439.785 4.800 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1CC1CC(F)(F)C1 1740914428 RGPJWTXVHIOPLF-UHFFFAOYSA-N 439.510 4.510 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCOC[C@H]1C 1740920639 FAIDTOKEZFWGJJ-UYAOXDASSA-N 435.547 4.653 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)c1nc(C)cs1 1740939569 DHHMPUBRKIXEPX-KRWDZBQOSA-N 448.596 4.701 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(C(C)C)CC2)C1 1740971927 AKMUDZFMBRTSTP-RBUKOAKNSA-N 428.552 4.775 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1741515957 BIJXBHCTDAYICU-BVAGGSTKSA-N 446.599 4.788 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1 1748764489 PUFWWQUJWOTQJY-MOPGFXCFSA-N 429.609 4.636 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCO[C@@H]1C(C)C 1748946245 BTRJAWCOTKEFLF-RCZVLFRGSA-N 438.591 4.851 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC[C@H](OCC)C1CCCC1 1749056563 LGJROXMONIKSFN-JYFHCDHNSA-N 436.600 4.931 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1749085368 AXAMHKQPYPFPAU-QZTJIDSGSA-N 433.394 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCn2cc(C)nc21 1749170806 JPRJLBRZCZYGFG-OAQYLSRUSA-N 434.588 4.650 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nc(C(C)C)cs2)CC1 1749293907 ILGPUOSEPPZZTK-UHFFFAOYSA-N 439.585 4.747 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CCc1ccc(F)cc1 1749552980 MRGSOWJHJWJHPD-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c(C)cccc1C 1749600538 CQMHBALIFQXHKH-DHIUTWEWSA-N 440.632 4.695 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(OCC2CC2)nc1 1760228873 VLWHTZPRRGZYAC-UHFFFAOYSA-N 443.595 4.934 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760274130 GLJAYKNGBQXWLZ-RTBURBONSA-N 442.604 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1 1760323259 CDXHXNBIMUERAM-DHLKQENFSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@](C)(O)c1ccco1 1760332130 VQGFHRASKKTZKP-NRFANRHFSA-N 445.361 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1760410131 UPCFPYRANXJHLY-UHFFFAOYSA-N 437.544 4.736 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1)c1ccccc1 1760418066 MFUYESQUDUWTIA-GOTSBHOMSA-N 435.616 4.791 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760421176 HEZVFTJTVXZAQT-GOSISDBHSA-N 429.996 4.650 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1760423093 REXUNZMXMCMSIH-IBGZPJMESA-N 441.645 4.594 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760423910 PYYFYPWXKRJJJU-KRWDZBQOSA-N 441.967 4.500 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](CCC)C1 1760433700 LERKFZOQMOFCNF-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCCCCC2)C1 1760508350 WHSGVLBFAJZGFJ-UHFFFAOYSA-N 437.407 4.885 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1760973568 AWRGFWWMSGDXEG-JUXOCIIHSA-N 429.996 4.712 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2ccco2)CC1 1762947682 GAJMCNYONUGYQC-VQTJNVASSA-N 432.572 4.728 30 10 IJEE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746432 BYPGABBAUXDZNL-UHFFFAOYSA-N 449.423 4.809 30 10 IJEE O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)ON1C(=O)c2ccccc2C1=O 1772789528 AMTGMZRTDMSXJD-NRFANRHFSA-N 437.904 4.917 30 10 IJEE Cc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C#N)cc1Cl 1858834220 YDYBAZQRMZXQFS-UHFFFAOYSA-N 435.871 4.577 30 10 IJEE CC(=O)OCCn1nc(C(=O)Nc2ccccc2C#N)cc1-c1cc(Cl)ccc1Cl 1859389472 UEGYERDYUJWMLJ-UHFFFAOYSA-N 443.290 4.544 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)NCCn2ccc3cc(Br)ccc32)c1C 1860322217 DGYRUHFKEYGHOP-UHFFFAOYSA-N 443.389 4.542 30 10 IJEE N#Cc1c(O)nc(SCC(=O)OCCCc2ccccc2)nc1-c1ccccc1Cl 1860826635 HHOGYGLJYCUUAW-UHFFFAOYSA-N 439.924 4.642 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 1861569574 FYJYOWZOFCHCOT-LVANHBEFSA-N 442.600 4.719 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)/C=C/c1ccc(C(=O)OC)cc1 1861764744 WFBLZASRWUDCBA-LXKWBGADSA-N 430.589 4.638 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccccc2F)cc1 1862390932 OTYMSTGPLIXWMX-HSZRJFAPSA-N 439.527 4.909 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862415182 RADONFQCGMXOJI-NRFANRHFSA-N 434.398 4.818 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862521612 MICRXYUBSMJVNW-DEOSSOPVSA-N 446.547 4.622 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc2cc[nH]c2c1 1862527109 OUVYKKUSKDPURR-LJQANCHMSA-N 439.309 4.917 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(OC)c1 1862652214 FQJSOWOCVIWGKG-HSZRJFAPSA-N 431.488 4.932 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@H]1c1ccccc1F)c1ccc(F)cc1 1862674255 UOOKCVQVGJKLNJ-QFIPXVFZSA-N 445.425 4.620 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1862676018 YNPIWTYHXAMKSW-NRFANRHFSA-N 444.934 4.789 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862695717 IXAJMPCKKLNCBV-HSZRJFAPSA-N 436.552 4.776 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 1862715969 VKCXYWYQBZROIL-QHCPKHFHSA-N 433.479 4.984 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1OC 1862720910 IDLWBBLKNOBPAK-DEOSSOPVSA-N 443.499 4.988 30 10 IJEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)c1 1870144719 IWVIMRLUPHBQIP-UHFFFAOYSA-N 425.492 4.707 30 10 IJEE C=CCOc1cn(CCCCCCO)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870816060 PRCWHGNQAOQXHF-UHFFFAOYSA-N 441.616 4.733 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccco1)O3)CN(C[C@H](O)c1ccc(Cl)cc1)CO2 1871353767 WCNBZOMEWQEOET-GIJPEOLDSA-N 437.879 4.743 30 10 IJEE CCOC(COc1ccc2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O)OCC 1871416340 XEGJVPRFVUVRBI-HAHDFKILSA-N 425.525 4.927 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 1871438410 YEAINNOQAARMRR-NAHYFOQLSA-N 444.483 4.927 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4c(F)cccc4F)cc(C)c3C2=O)o1 1871440779 HUPTZXDPMYVSNM-OCKHKDLRSA-N 425.387 4.808 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)cc2)C3=O)s1 1871443951 LNUALLGOZVIPLR-CCRNYGKSSA-N 449.532 4.740 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871457151 RMXBDHRBKQCSSU-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871550571 TYPDTPGIQKTWFW-UHFFFAOYSA-N 442.611 4.689 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666486 FSUAXMCDSWXGON-WOJBJXKFSA-N 440.636 4.722 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871940702 JDKHJRIXBHTFJJ-HNNXBMFYSA-N 441.380 4.814 30 10 IJEE COc1cccc(/C=N/Nc2ncnc3[nH]cnc23)c1OCc1c(Cl)cccc1Cl 1873792872 RIWJIJJDHUKGRE-FLUNURKVSA-N 443.294 4.693 30 10 IJEE Cc1cccc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1874278626 XTAQDURFPGSAKO-YNYZQSIGSA-N 447.608 4.875 30 10 IJEE CCOc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874304251 OYUPDESHJRNHHH-KOEQRZSOSA-N 438.597 4.748 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2/N=C/c2ccccc2C)cc1 1874335113 GZKJXQASTDUCKX-MNVTYAKESA-N 447.608 4.794 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc[nH]1 1874393370 KNZAKQMWRXNYMU-GCMSVZMUSA-N 432.509 4.841 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874417614 OSWMVZKSNIKIJQ-BUVRLJJBSA-N 445.504 4.657 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C(C)(C)C 1874485539 AUQYAWUHMUSSRS-BFTFCADCSA-N 435.597 4.736 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874517549 ZDCXPJSQWDDWGA-HSOLMKNUSA-N 446.580 4.735 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)cc2)c(OCC)c1 1874632479 ZIBOPUZELCPBJW-NTEUORMPSA-N 426.509 4.958 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cc(OC)ccc3OC)c2)cc1 1874706692 VBBRJIGZWZGJNC-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1875135923 OUNVDXIUYSEHSV-NTUHNPAUSA-N 431.444 4.956 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)[C@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1892137144 VIKXQGHHDXJACU-SFTDATJTSA-N 427.957 4.552 30 10 IJEE CC1(C)C[C@H]([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1912178543 NKYBLFGCTNAWNP-HZPDHXFCSA-N 436.557 4.852 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C(C)C)N(Cc2ccccc2)C1 2029765631 WLAAQHCPIDQTFC-BVAGGSTKSA-N 442.648 4.758 30 10 IJEE C=CCC1(C(=O)Nc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2060609198 RZPSMESCFCRGEG-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1O 2079952609 KMJGHIVPBKQWGD-QGZVFWFLSA-N 434.334 4.609 30 10 IJEE CC(=O)Oc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080080436 UYTUIDKPSVPYIR-QGZVFWFLSA-N 434.334 4.676 30 10 IJEE CC[C@H](c1ccc(OC)c(F)c1)n1nc(C2(C)CC2)c(C#N)c1I 2080112017 CEMRPBNOUDMUPX-CQSZACIVSA-N 439.272 4.558 30 10 IJEE N#Cc1c(C(F)(F)F)nn(-c2ccc(Cl)cc2Br)c1Br 2080334243 APUUYNZNNFABKE-UHFFFAOYSA-N 429.421 4.941 30 10 IJEE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(c2cc(Br)c(C#N)cc2F)C1 2118192954 VGIUMGNPXSZRNH-IBGZPJMESA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 2174808726 REWCKHWMROPZNM-OAHLLOKOSA-N 444.320 4.792 30 10 IJEE N[C@H]1CC[C@H](C#Cc2sc(Br)c(Br)c2Br)C1 2212190042 RRFPVKUMSSSIHJ-RQJHMYQMSA-N 427.987 4.515 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CO1 2214519744 GNGORSNVSBFITO-LJQANCHMSA-N 427.419 4.617 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@H](O)CC#C[Si](C)(C)C 2229116779 RDROOWNGGCJUHT-QZTJIDSGSA-N 440.454 4.517 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2235718877 FCCFVNLESOBAKK-XMSQKQJNSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 2235734146 WBJDBTDOGRONBT-QXAKKESOSA-N 439.369 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(C)(C)[C@@]2(N)C#Cc1ccccc1Br 2235734537 WPUCPXSDSCAWMK-TVTNDZMWSA-N 433.390 4.554 30 10 IJEE CC1(C)OB(c2ccc(N[C@@H]3CN(Cc4ccccc4)C4(CCCCC4)C3)nc2)OC1(C)C 2241091080 QBONGJSDZRTEGZ-QHCPKHFHSA-N 447.432 4.770 30 10 IJEE C=C(COCc1ccccc1)[C@@](CN(C)C(=O)OC(C)(C)C)(OCCC(=O)O)C(C)(C)C 2261829903 RSTPOGYRLDBOHX-RUZDIDTESA-N 449.588 4.903 30 10 IJEE CC1(C)OB(c2cc(F)ccc2C(=O)N(Cc2ccccc2)Cc2ccco2)OC1(C)C 2267414341 NAVOSMSITBJCTF-UHFFFAOYSA-N 435.304 4.561 30 10 IJEE C=CCC1(COc2cc(Br)cnc2C#N)CCN(C(=O)OC(C)(C)C)CC1 2287836767 BPEKVZXMPCIGSX-UHFFFAOYSA-N 436.350 4.688 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C 2296268532 GANDOYDZUCBPKH-XAMWDVODSA-N 435.406 4.670 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1cccnc1NC(=O)OC(C)(C)C 2296271398 FJCAIGGGNCAKLX-SFHVURJKSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)C2(CCCC2)C1 2296309896 BVBMACKDPGZEGI-MOPGFXCFSA-N 433.390 4.555 30 10 IJEE CCCN[C@H](C#CC1(SC)CC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2299658928 VWJJIBTYAJSFKA-FCEUIQTBSA-N 446.657 4.752 30 10 IJEE CCOC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2321985679 NOYYWYYCDIANRS-UHFFFAOYSA-N 447.512 4.893 30 10 IJEE CC(C)OCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322006954 UQAJOAIVGPBTKT-UHFFFAOYSA-N 444.325 4.642 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCCc1ccccc1 2324035704 ZSKWBYMVQJQZRI-UHFFFAOYSA-N 446.499 4.993 30 10 IJEE C[C@H](Oc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)C(=O)Nc1ccc(F)cc1 2324306771 RQIASAPEILXCMX-AWEZNQCLSA-N 448.406 4.756 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCc4ccc(C#N)cc4)cc(C)c3C2=O)cc1 2324760630 IAGGVWFDEZTBRV-UHFFFAOYSA-N 425.440 4.849 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)Nc1c(F)cccc1F 2325507292 WKHPQEVZIJLNCZ-UHFFFAOYSA-N 425.362 4.738 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2325589429 YCOGLQJDVGMJHT-UHFFFAOYSA-N 445.500 4.577 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 2326257433 WIQKSJONNMQWFB-RLWLMLJZSA-N 442.600 4.993 30 10 IJEE CCCOc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC)cc1 2328475045 FRZKMGIWQPSGDG-UHFFFAOYSA-N 425.514 4.560 30 10 IJEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccn2)c1 2329171884 QSWIRFJSJQWQHN-UHFFFAOYSA-N 429.549 4.778 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1ccc(N(CC)CC)cc1 2329282835 MRBYJBHUXZQQMM-UHFFFAOYSA-N 435.597 4.884 30 10 IJEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1C(=O)O 2330832943 ROUVOGZSLPFMCC-UHFFFAOYSA-N 426.517 4.879 30 10 IJEE CC(C)(C)Cc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccs1 2330863007 DMZOZMNNJHBXLF-UHFFFAOYSA-N 438.582 4.752 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2331030729 JMMOPEDQJWJADK-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(F)cc2)o1 2331065607 BHEUWYQJFLZNKK-UHFFFAOYSA-N 428.489 4.629 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2cccc(F)c2)cc1 2331124121 VJIVCLXWTMLFBN-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1sccc1C 2331630741 MNCMRYJEGKJFNO-UHFFFAOYSA-N 427.599 4.830 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccccc1F 2331636923 FICVNGIOZYEVGC-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1OC 2339677155 ZFHHOQWHPFLZJH-IAGOWNOFSA-N 427.383 4.886 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@H](O)C#Cc1ccccc1Br 2363476620 LYYFGSUYMFTBIX-RBUKOAKNSA-N 436.390 4.977 30 10 IJEE C[C@@H](O)c1ccc(C#N)cc1Oc1cc(Br)cc(I)c1 2364004386 KLSGOVNNWNBTEK-SECBINFHSA-N 444.066 4.771 30 10 IJEE CCCOc1ccc(/C=C/C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)cc1OC 1965057 NLAIXNHKUGBTQA-CSKARUKUSA-N 428.510 4.554 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472959 XFHFTPYGLDHCSR-VWKPWSFCSA-N 445.928 4.539 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)OC1CCCCC1 21076877 HCVWIJDQUAELMH-AWQFTUOYSA-N 428.345 4.526 30 10 IJEE O=C1/C(=N\Nc2cccc3ccccc23)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 27497378 LSIXNZICWVWZFV-PNHLSOANSA-N 435.443 4.967 30 10 IJEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1ccc(C)cc1O 27832517 WJGZEECPIHGRCI-HKOYGPOVSA-N 425.901 4.668 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1)C/C2=N\OC(=O)c1cccc([N+](=O)[O-])c1 33960488 ZHCAKTHAPJNEDN-XJHCDOBBSA-N 435.480 4.963 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nncs2)cc1 35490080 YUMWLOKOQFRVKX-HXUWFJFHSA-N 445.500 4.576 30 10 IJEE Cc1c(C(=O)COc2ccc(Cl)cc2Cl)c(O)n(C2CCCCC2)c(=O)c1C#N 38618141 AKGCCFLMLQZYTO-UHFFFAOYSA-N 435.307 4.808 30 10 IJEE COc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccc2)cc1 59254544 IRJIMRWPPNBRJL-SIHNDCSESA-N 445.544 4.856 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](COc2nc3ccccc3n2Cc2ccccc2C#N)C1 95085436 SCBWAHPWOFMJIP-IBGZPJMESA-N 446.551 4.982 30 10 IJEE CCCN(CCC)C(=O)CCCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 111102869 LNIFMLWKERNTQT-UHFFFAOYSA-N 434.540 4.568 30 10 IJEE CC[C@](C)(C#N)C(=O)Nc1c(Br)cc(Br)cc1Br 136184889 CMHYJMZVWOVXAF-GFCCVEGCSA-N 438.945 4.852 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922188 DQSIXFZPPQUMBT-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929534 GCXMKXNEWNSVIH-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1cccs1 169990064 UTGXLJSKWSDDGE-NRFANRHFSA-N 429.501 4.726 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)c(Cl)c2)ccc1F 170041513 VCXNNIULKKTSII-HXUWFJFHSA-N 441.842 4.865 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc2ccccc12 170045840 KAJUQCGQAMUYBO-DEOSSOPVSA-N 445.515 4.772 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(C)c2)cc1OC 170140536 FEQQHUXZJWUNKD-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCCOC(C)C)c1 170148321 AKYGAIVIODBUHM-XMMPIXPASA-N 449.547 4.713 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)c1 170154039 DDNNTIQWUCFVLJ-PEBXRYMYSA-N 447.512 4.863 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1cccnc1 170195206 XYDABBYRCKJUSD-SFHVURJKSA-N 429.314 4.531 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccncc2)c(C)c1 170202158 RVWLSUKQBQIWHB-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2C2CCCC2)cc1 170214811 VWVRNVGORNFUMG-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1Cl 170241117 CULIMDCBAHABLP-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1C1CCCCC1 170317514 RLTBURNLXSPYTP-SFHVURJKSA-N 426.494 4.876 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccc2OC)c1 170419509 QUTPXUUCZAOBOG-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE COc1ccc2c(c1)O/C(=C/c1cccc(OC(=O)c3c(OC)cccc3OC)c1)C2=O 210090070 SCCOWBCGBARNAF-LPYMAVHISA-N 432.428 4.548 30 10 IJEE Clc1ccc(Cl)c(C=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 252618593 LIEGHZWHMBWYRD-UHFFFAOYSA-N 434.375 4.605 30 10 IJEE Cc1ccc(S(=O)(=O)NN=C(c2ccc(F)cc2)c2ccc(OCC(C)C)cc2)cc1 254852710 LJULOXGJLNIMNF-UHFFFAOYSA-N 440.540 4.900 30 10 IJEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)c1cc(Cl)sc1Cl 404957665 ZKPINHGUQWVWGX-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE C#CCN(C[C@H](Cc1cc(Cl)ccc1Br)NCCC)C(=O)OC(C)(C)C 407491135 GJBBWQZIHAFQCJ-KRWDZBQOSA-N 443.813 4.884 30 10 IJEE Cc1oc(C#N)cc1C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436112728 XGVNPDGVISCKDB-INIZCTEOSA-N 432.320 4.711 30 10 IJEE N#CC1CCC(CNC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)CC1 441632382 FOCHIOSPMUDRFG-UHFFFAOYSA-N 433.375 4.948 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@H]1CCCO1 461119757 AQMNMJHUPBLJGR-SGNDLWITSA-N 448.567 4.530 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 482394987 HIGUCGVOKLVSSK-QGZVFWFLSA-N 429.345 4.874 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2OC)cc1OC 501992685 CTSTVCOIKLJHKZ-UHFFFAOYSA-N 438.524 4.537 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 508948066 ZBXYASFCWKFXFW-DLTYFMDKSA-N 430.552 4.676 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(O)c(Br)c1 526801129 BFGUOCNGGNWUFW-FBHDLOMBSA-N 435.322 4.622 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 549690840 KXRUZOMVFWXPQO-DYLHXGEVSA-N 432.568 4.837 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 555263437 BSRCUCRIYOHTPO-XMMPIXPASA-N 443.551 4.513 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 556551112 NTFQZDXCOAJRGM-UHFFFAOYSA-N 425.941 4.837 30 10 IJEE CCC(CC)n1c(COc2ccccc2Cl)nnc1Sc1nc(C)cc(C#N)n1 557484694 UHEYGQUQGGAVAW-UHFFFAOYSA-N 428.949 4.993 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OCc3ccc(F)cc3)n2C[C@@H]2CCOC2)CC1 559245700 PPJNNGZNKZPURG-NRFANRHFSA-N 448.542 4.856 30 10 IJEE C=C(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 586205634 MCIFAMJWNWRAQJ-UHFFFAOYSA-N 445.176 4.983 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 608941643 VWDFFWPJCOKUFK-JRFVFWCSSA-N 447.535 4.583 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCN(c2ccccc2)CC1 609078887 SNAFFJNCPFBJRN-UHFFFAOYSA-N 426.520 4.800 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)[C@H](C#N)c1ncc(Br)cc1Br 698964994 ARDMNJHXZKPDGN-CYBMUJFWSA-N 445.155 4.818 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@H]1CCCN(C)[C@@H]1c1cccs1 742373192 HKWWFEYMZLAZOR-IERDGZPVSA-N 433.415 4.695 30 10 IJEE C#Cc1cccc(NC(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)c1 743085313 ZKSRENITOZFUGU-UHFFFAOYSA-N 447.432 4.508 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 744029189 PYEYWINAKJZTRX-KUHUBIRLSA-N 443.341 4.689 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 780333444 MVKMYORVNZVBOF-QGZVFWFLSA-N 434.496 4.533 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CCCN1C(=O)OC(C)(C)C 790663242 YCEOCIRIFMZATF-DRMXPCRNSA-N 447.645 4.593 30 10 IJEE C=CC[C@]1(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)CCCN1C(=O)OC(C)(C)C 791719463 HONCWLHHBLOKMI-HOYKHHGWSA-N 430.545 4.519 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 806182514 VIRDKAWHBNPMII-QGZVFWFLSA-N 429.442 4.810 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)CCCCC(=O)c2ccccc2)nc1C 916960263 FGQSEZYPEXQINQ-UHFFFAOYSA-N 441.582 4.567 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccccc1F)c1ccc2c(c1)OCCO2 1124367238 AULUBIQYHLSRGG-UHFFFAOYSA-N 449.478 4.774 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(OCCCC)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1125010743 MGVCSHILAWVPIC-VWLOTQADSA-N 446.588 4.836 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc(OC)c(Br)n2)C(C)(C)C)cc1 1128143203 AUUUPPYTRXPICK-UHFFFAOYSA-N 433.346 4.858 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nnn(-c2cccc(Cl)c2)c1CCC 1128907850 RQFGFFYRONEUFZ-UHFFFAOYSA-N 440.979 4.869 30 10 IJEE C=CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)CCCCC1 1129028757 NGDANMSHWAJVAP-QGZVFWFLSA-N 439.021 4.769 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(N(C)C)c(Br)cn1 1129062396 XPCQIPFUEKNEQV-UHFFFAOYSA-N 444.251 4.746 30 10 IJEE Cc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3)c3ccc(C#N)cn3)n2)cc1F 1130025122 DEUBOVLQKVWHSN-UHFFFAOYSA-N 441.466 4.617 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC(F)(F)F)c3ccccc3C)n[nH]2)c1C 1139371970 YNCXVNZYXCNGKZ-IBGZPJMESA-N 431.462 4.808 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Nc2ccn(C)n2)cc1 1143300346 KYNQNHREEBTZCG-UHFFFAOYSA-N 443.320 4.894 30 10 IJEE C#CCN(C)C(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 1154143739 GNXLHRLJQYVSJS-UHFFFAOYSA-N 428.463 4.892 30 10 IJEE C#CCN(C)C(=O)CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 1154143858 LRQKGKSALLOABG-UHFFFAOYSA-N 444.575 4.957 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(=O)OCC 1158289433 VMMCOIFWSUPUDE-HXUWFJFHSA-N 437.927 4.820 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc(C)c(C)o2)nnc1-c1ccc(Cl)cc1Cl 1167296942 CDKCYNYEOQGIGO-UHFFFAOYSA-N 438.340 4.774 30 10 IJEE C#CCN(c1cc(SC)nc(SC)n1)[C@@H]1CCOc2ccc(Br)cc21 1185386802 HOBXDPCXWTUCEI-CQSZACIVSA-N 436.400 4.646 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@H]1C 1188063122 TYTMLRRCXNJDHQ-DBXWQHBBSA-N 425.598 4.686 30 10 IJEE CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H](C)c1ccccc1Oc1cccc(Cl)c1 1194232580 AADOMEYEZJDLFR-IAGOWNOFSA-N 435.977 4.851 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H](CO)C3CCCCC3)cc2F)c1 1199686408 CDLKXVNKFWTTOS-FQEVSTJZSA-N 425.504 4.587 30 10 IJEE C=CC[C@@H](NC(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccncc1 1222021776 OVZOXMIRJIEYBJ-QGZVFWFLSA-N 436.737 4.719 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCC(C)C 1286555735 YPNIMBGCJAFRQN-OFNKIYASSA-N 434.588 4.799 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CCCN2CC)CC1 1286637529 GXKINCICINXMHQ-ICSRJNTNSA-N 429.996 4.712 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cn(CCCCC)nc2C)CC1 1286640957 QEGPULJMDBQDPW-UHFFFAOYSA-N 429.572 4.717 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCC(C)(C)COC)CC1 1286644914 NJKBISPYMKUTDK-UHFFFAOYSA-N 434.588 4.740 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)c1ccccc1 1286671025 QVJPANKTGRDACB-SFHVURJKSA-N 435.572 4.848 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnn(C)c1C 1286682217 HMYWBEVBDHKIHW-UHFFFAOYSA-N 443.393 4.742 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 1286705787 FIOSQNZSUFJTEP-RTBURBONSA-N 448.995 4.506 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCCC1(C)C 1286730780 NSMOYAKNXGNXDG-RUZDIDTESA-N 426.605 4.718 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCCc1nc2c(s1)CCCC2 1286730911 SBTIFUJUBYGYKO-UHFFFAOYSA-N 437.613 4.756 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1286762987 AGGCGCASIJLVRQ-DEOSSOPVSA-N 433.600 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1Cc1cccc(Cl)c1 1286766880 YWXMFEJHGOCZGV-UHFFFAOYSA-N 433.943 4.794 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCO[C@@H]2c2ccccc2)C1 1286811122 ZVTLMZGVGGZHIM-WMTXJRDZSA-N 438.616 4.816 30 10 IJEE C=CCn1c(SCC(=O)N2CCCc3ccc(C)nc32)nnc1-c1ccc(Cl)cc1 1288503880 JFXQKXYSEXNTLX-UHFFFAOYSA-N 439.972 4.559 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1CC1CC(F)(F)C1 1288956468 IDJQPPIJIXCVHT-OAHLLOKOSA-N 433.478 4.733 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(F)(F)F)cc2)C1 1288976743 DEHSRJQNUKCUBL-OAQYLSRUSA-N 426.446 4.537 30 10 IJEE CC[C@H](C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1291759251 DXTCARUUSYVXKA-ROUUACIJSA-N 440.661 4.602 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)C1 1294436394 OAHQOPJWRXJTSZ-PYDGXCHUSA-N 438.955 4.951 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1300348219 KNBQEECFWIVQLI-RTBURBONSA-N 442.629 4.875 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)c1ccsc1 1300438192 GYBQSYYKHKIXSL-NRFANRHFSA-N 442.997 4.852 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1300830076 CZSXCMISIWFCRX-AAEUAGOBSA-N 445.814 4.993 30 10 IJEE C=CC1(CC(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CN(C(=O)OC(C)(C)C)C1 1300884610 LGNHNKJGKHYCCO-UHFFFAOYSA-N 449.523 4.764 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300963006 JGVOGCZQJJFQCY-LJQANCHMSA-N 428.577 4.616 30 10 IJEE C=C(C)COCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(Cl)c1 1301000997 APLYFFGHJULWMS-QGZVFWFLSA-N 434.878 4.711 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCSC2)C1 1301176371 XXLLYHQRKAKAPI-QHCPKHFHSA-N 428.602 4.652 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1Cc1ccc(Cl)s1 1301351151 LGROAGQPMKZSDR-UHFFFAOYSA-N 440.935 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCN1CC 1301379461 LTBNAILUIVWJOQ-KRWDZBQOSA-N 448.384 4.509 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nccs2)C1 1301541687 BQCDLMFXWHPVGY-CQSZACIVSA-N 436.368 4.538 30 10 IJEE C[C@@H]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1304964799 GOIGFUBSFIITMB-QEEYODRMSA-N 432.341 4.586 30 10 IJEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(COc2ccccc2C(F)(F)F)CC1 1307694955 FCWOBEDAIUCQIM-OAQYLSRUSA-N 432.442 4.582 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1OC 1308364239 STVTZIFPRKFATO-IBGZPJMESA-N 448.485 4.560 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)C(C)C 1311387617 CEXVTIJKBJOQML-MBSDFSHPSA-N 429.008 4.676 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](CC)Oc1cccc(C(F)(F)F)c1 1312204799 LMSKNGQIIBYYIX-QGZVFWFLSA-N 440.462 4.736 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccc(F)cc1 1312933666 CZYUFIPVFZWMFM-SFTDATJTSA-N 443.563 4.759 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCc1nnc(-c2ccccc2OCc2ccc(F)cc2)o1 1341364755 AQKMQQXECKBGEJ-UHFFFAOYSA-N 445.498 4.967 30 10 IJEE CSc1nn(-c2ccccc2)c(NC(=O)Cc2ccccc2OC2CCCC2)c1C#N 1348880458 AMFFRHQVECJKIM-UHFFFAOYSA-N 432.549 4.968 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C(CC)CC)N(C)C 1358882539 BYIWGKBHHYBLAZ-OXJNMPFZSA-N 446.437 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1358988223 IJXHPTKOKYIIRO-VXKWHMMOSA-N 432.612 4.911 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1oc(CC)nc1C 1359067121 BFGZSXZPVUFJFV-HSZRJFAPSA-N 439.947 4.506 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(C)(C)C)C1 1359084854 UQVDTTQXOLJKPC-CQSZACIVSA-N 439.348 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359109020 MMGDHUAUSNCSMK-OYRHEFFESA-N 434.632 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@H](C1CCCCC1)N(C)C 1359110743 ZMZJEFKITCXRMY-JOCHJYFZSA-N 425.621 4.867 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCCN2CCC)CC1 1359168329 PODMEVVDENGWRS-OAQYLSRUSA-N 444.023 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1359186566 KOCKADOBTFNNBQ-UHFFFAOYSA-N 449.574 4.656 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359199654 CTAMOUUFPAYUPF-FQEVSTJZSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](OC)C1 1359206054 SMYBHGOLLHEWRK-IBGZPJMESA-N 449.393 4.591 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2OCC)CC1 1359218493 LFLHPCSKYSDJLR-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](c2ccco2)C1 1359224214 KCWMFCHZHBFKLU-QGZVFWFLSA-N 442.947 4.787 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCc1nc(C)c(C)s1 1359233122 RQLWHYPDCNSJPO-UHFFFAOYSA-N 432.391 4.646 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H](C)C1 1359262615 ZGRORWZWRQUPRB-GOSISDBHSA-N 425.602 4.833 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CCc1nc(C(F)(F)F)cs1 1359276097 RPHSXZCFFAIRPE-UHFFFAOYSA-N 439.507 4.948 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359283429 PUASTCJMJQWABA-RXVVDRJESA-N 428.577 4.787 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCC[C@H](C)C2)C1 1359317019 AKWHATAODHWREQ-SLFFLAALSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1359337180 LGEYGEPYINHGCC-GOSISDBHSA-N 434.053 4.686 30 10 IJEE C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1435667028 HICGMJNMXUZMNZ-ZDUSSCGKSA-N 443.732 4.977 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CN(C(=O)OC(C)(C)C)C1 1440390562 BPYSFDBIGPZOEV-QGZVFWFLSA-N 441.597 4.816 30 10 IJEE N#CCCn1ncc(C(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)c1-c1ccccc1 1449600241 FOUDLSQOZRGVHG-UHFFFAOYSA-N 434.490 4.837 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(Br)cc2C1 1453494710 PFGJCSYZENZDFM-AWEZNQCLSA-N 443.407 4.645 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 1456306958 MMMBMLIRRRBGNO-UHFFFAOYSA-N 426.601 4.903 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 1456652490 ZIZHCMCXWJUTCD-HNNXBMFYSA-N 438.981 4.834 30 10 IJEE C=CCN(CCOC)C(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1459740008 QOPACDLBYMTBKX-QGZVFWFLSA-N 431.360 4.562 30 10 IJEE C#CCCOc1ccc(C(=O)Oc2c(Br)cc(C#N)cc2Br)cc1 1461150027 QLTRWSULCNFCTE-UHFFFAOYSA-N 449.098 4.705 30 10 IJEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(CCCC)cc3)ccc2C)C1 1469519419 LFRNAAQVXZYELO-FQEVSTJZSA-N 438.593 4.624 30 10 IJEE COc1cc(CCNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1 1469756055 GWJKQCPSMFZRQC-GOSISDBHSA-N 429.520 4.845 30 10 IJEE N#Cc1ccc(CCNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 1470135455 DEOPOGVOVPCWCB-NRFANRHFSA-N 431.458 4.587 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC)c3cccc4ccccc34)ccc2c1=O 1471917295 QHDVLHTVOCBODG-NRFANRHFSA-N 429.545 4.906 30 10 IJEE C=CCOc1ccc(CN(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(C)(C)C)cc1 1473264868 DGJHCXCWVRHIGN-UHFFFAOYSA-N 444.597 4.956 30 10 IJEE C=CCC[C@H](NC(=O)N1CC(=O)N(C(C)C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 1478273135 SDNKHHBLFPCUEK-SFHVURJKSA-N 425.495 4.754 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507557231 IBVLDDAAEXVLBV-YRWFTTLQSA-N 443.389 4.754 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1507557447 QOYZHSOJWPFVRR-WOJBJXKFSA-N 431.625 4.678 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(Br)o1 1507565759 AAWLVSBFPQYETF-UHFFFAOYSA-N 445.336 4.803 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1CCOCC1 1507663370 AFBKRRCKRKIIEF-UHFFFAOYSA-N 431.367 4.532 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1507757641 WKJFSZWLVKHOPP-FXAWDEMLSA-N 431.005 4.646 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCC1CC1 1507776934 AHISBDMTDCNYHT-UHFFFAOYSA-N 443.187 4.571 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(Cl)=C(Cl)C1 1507805137 IUOZNKXORPBCIP-OXQOHEQNSA-N 425.404 4.891 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1507827130 URYLYDUZORCQDT-ZWKOTPCHSA-N 445.405 4.927 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C[C@@H]1CCCCO1 1507832705 MTNFSVDICYNIJX-FQEVSTJZSA-N 432.996 4.833 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1c(C)noc1C 1507838071 JZNFGYBFRHZUNE-UHFFFAOYSA-N 433.915 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1507899825 VTUITJKEFGIROQ-CLOONOSVSA-N 425.596 4.997 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1)c1ccccc1 1507927798 DMYIJXNSVYDBGH-JOCHJYFZSA-N 437.632 4.709 30 10 IJEE CCCN(CC)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N 1514685373 ANVYXRFRTJFCTF-GOSISDBHSA-N 428.650 4.603 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 1516270743 HXAILVWVPFGJNS-MSOLQXFVSA-N 441.281 4.663 30 10 IJEE Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2=O)cc1C 1519283613 AEHXEYWPTTTYLF-FQEVSTJZSA-N 425.488 4.959 30 10 IJEE C=CCc1ccc(OCC(=O)NCCc2cc(Cl)ccc2Br)c(OC)c1 1519902579 AJFXPNXEHXGBQC-UHFFFAOYSA-N 438.749 4.577 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccccc1 1521281393 PIZVOPSCNDVRHZ-GJZUVCINSA-N 431.536 4.990 30 10 IJEE C=CCc1cc(C(=O)N[C@H](CCOC)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 1521510698 GEYAKXIPWBMCGH-LJQANCHMSA-N 437.458 4.959 30 10 IJEE C#CCOc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 1521873421 IUWVGGOHWQMMIR-WUFINQPMSA-N 438.571 4.539 30 10 IJEE N#Cc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)cc1F 1524488896 FAASJPLRTRWETN-UHFFFAOYSA-N 439.288 4.777 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1524972020 UFDSBSCKCFESSI-HXUWFJFHSA-N 437.540 4.587 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)cc1OC 1526248591 GQGIFZHSFMKXBS-HNDWGLKSSA-N 446.316 4.979 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1526526359 JHZVOWGVCMYOGY-GOSISDBHSA-N 439.353 4.506 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 1528350998 DTDYREGZAGNFTN-JOCHJYFZSA-N 431.410 4.520 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 1529258484 GPDWKZLGDAEXFR-GOEBONIOSA-N 433.733 4.805 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)cc1OC 1530652046 OPUREMZXLVWFIG-ZFDRTXPNSA-N 434.580 4.783 30 10 IJEE C=CCN(C(=O)c1cc(=O)c(OC)co1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1531353608 CXAXRKPKKJGCBB-UHFFFAOYSA-N 437.304 4.912 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC2CCc3ccccc3CC2)nnc1-c1ccco1 1533884159 JOGPLQUABTVAGK-UHFFFAOYSA-N 436.581 4.518 30 10 IJEE CCc1ccccc1O[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 1537881384 DWRGFZJZWRJZJQ-XNMGPUDCSA-N 439.559 4.606 30 10 IJEE C#CCCCCn1c(N2Cc3ccccc3[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539086575 JADKPFRNHUUASE-SESVDKBCSA-N 449.599 4.934 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C)C1 1539587210 YSUGKNIQIZEXPS-LLVKDONJSA-N 440.183 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCC[C@H](O)C1 1539677491 FEXJUMZIDKWYBQ-MOPGFXCFSA-N 430.618 4.533 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCc2cccnc21 1539678544 TUDZRTJUYOJYBX-QFIPXVFZSA-N 442.567 4.646 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@@H](C(C)C)C1 1539727971 ASMHYIPWNBYOCE-OAQYLSRUSA-N 426.586 4.862 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](C)C1 1540019900 FQMUKEVDFOQAQL-QUCCMNQESA-N 430.618 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)c1cccs1 1540049546 NSHJZKCELHLDJP-VWLOTQADSA-N 447.608 4.944 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N1CCC[C@H](C)C1 1540158458 IGQANBOUGCGKAK-OALUTQOASA-N 444.023 4.906 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 1540303241 XPHRDGCYJISZES-GOSISDBHSA-N 430.895 4.664 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOC2CCCCCC2)C1 1540887420 WYRDHRZTTNTXGJ-FQEVSTJZSA-N 445.995 4.514 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1540911301 QQNYOIRGUNDGKJ-JOCHJYFZSA-N 426.630 4.680 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(OC2CCCCC2)c1 1544729200 JFNXVOCOMOVLAU-FQEVSTJZSA-N 431.577 4.659 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1)c1ccc(Cl)cc1F 1562724971 QBPOOPGKZDPKEH-OAQYLSRUSA-N 427.907 4.910 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](c3cccc([N+](=O)[O-])c3F)C(F)(F)F)cc21 1563315484 JLQIILJLTJEVEC-QGZVFWFLSA-N 437.353 4.695 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 1563821169 BSGZQCUMKLBNMM-NRFANRHFSA-N 426.944 4.610 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 1565047946 JWIRHUHOUALZJW-CEMLEFRQSA-N 427.589 4.777 30 10 IJEE C#C[C@H](NC(=O)[C@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1583549921 RLQPRDFDJNIOHV-PZJWPPBQSA-N 440.927 4.501 30 10 IJEE C=CCOc1ccc(COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cc1 1584602270 RTZAJPGYUHADBB-NRFANRHFSA-N 429.488 4.742 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(C#N)ccc1F)c1ccccc1C(F)(F)F 1584674231 GFHRJEPHRDMGFA-KRWDZBQOSA-N 437.393 4.921 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)OCc2ncc(Br)cc2Cl)cc1OC 1586355158 WUEDWWRKRQVKDE-FNORWQNLSA-N 438.705 4.828 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 1587165695 YIWCMJBMGQHADL-HKBOAZHASA-N 431.454 4.915 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN(C)C1CCCCC1 1587672593 DGTVMTARPXSXRA-IBGZPJMESA-N 444.023 4.623 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN(C)C1CCCCC1 1587672595 DGTVMTARPXSXRA-LJQANCHMSA-N 444.023 4.623 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1587883828 NEOZRZKVHSKOQJ-SIKLNZKXSA-N 436.581 4.607 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1587888463 FROZTEHBYUAAFR-NRFANRHFSA-N 437.657 4.603 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCS1 1588161924 CFQUGMMEGPZBIG-JOCHJYFZSA-N 436.625 4.513 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(SC)CCC1 1588162486 UUUGKEYTOGGBRU-UHFFFAOYSA-N 436.625 4.513 30 10 IJEE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCC(C)C)CC1 1588752478 SSEJEXOWYBFSOR-UHFFFAOYSA-N 444.627 4.544 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCC1 1589150681 IRZIKBFPJQJAQC-FDDCHVKYSA-N 442.991 4.595 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(C)Cc1cccc(OC(F)F)c1 1589394263 ASNNIQHTNZWKTG-UHFFFAOYSA-N 427.293 4.692 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1595191092 NGJHGQZMCZZNKC-GOSISDBHSA-N 429.565 4.574 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2CCC(C)CC2)C1 1595707048 RVTMTRHQPIKOAJ-FQEVSTJZSA-N 444.023 4.502 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 1596342952 GAPDOUNHHHEKBG-CTNGQTDRSA-N 449.494 4.569 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1598327002 GHSODVVSYWEGKU-QKAVXHIFSA-N 430.335 4.604 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H]1CCCCO1 1611291741 DLRGWCRLRMOSQL-HKUYNNGSSA-N 427.618 4.973 30 10 IJEE C=CCN(CCc1ccccc1)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1615367530 ZLAPUMDBPZGAPJ-IBGZPJMESA-N 438.527 4.520 30 10 IJEE C=CCCC1(CNC(=O)c2c(Cl)ccc(S(=O)(=O)CCOC)c2Cl)CCCC1 1617474720 MDEHEHOQMFFGQU-UHFFFAOYSA-N 448.412 4.670 30 10 IJEE C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1=O 1625091264 CHPZVNOEOBXRIC-KUHUBIRLSA-N 442.560 4.930 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1625182564 QVLKPJIFBYYXDG-KRWDZBQOSA-N 431.558 4.671 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)CC1 1625395458 ZNGOMYUTBGDUOB-CUDBROORSA-N 444.575 4.796 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c1 1626646867 YFWYPDRXWCKSET-UHFFFAOYSA-N 436.533 4.921 30 10 IJEE Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(SCC#N)s1 1626657864 HHLABBGDGFJTLG-HNNXBMFYSA-N 432.571 4.580 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCC(C)CC2)cc1 1629588574 DWBIPGREQCILGW-HSZRJFAPSA-N 443.632 4.784 30 10 IJEE C=CC[C@H](NC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1)c1ccncc1 1631878815 VXKLDNJDJDDGAN-SFTDATJTSA-N 442.604 4.766 30 10 IJEE C=C1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)C1 1632675041 OTCNVOUYPQMBHS-UHFFFAOYSA-N 431.348 4.732 30 10 IJEE C#CCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CCC2 1633930549 CUYUGXJEGJQTIM-KNTRCKAVSA-N 426.516 4.834 30 10 IJEE CNc1ccc(C#N)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1634989027 FPOUUYOWIZNAFB-SFHVURJKSA-N 448.445 4.823 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)cc2n1 1639187789 WAPDQTCJLQTTDW-HXUWFJFHSA-N 446.454 4.611 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCC[C@@H](c4ccccc4)CC3)ccc2c1=O 1639589726 SXBNZVRHSJKWJI-QUCCMNQESA-N 433.577 4.718 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1646493723 GAHHESVPFPJTNO-NRFANRHFSA-N 432.545 4.945 30 10 IJEE C=CCn1c(SC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nnc1-c1cccc(OC)c1 1652701553 SGEOMCSQHAOGLV-AEFFLSMTSA-N 444.601 4.735 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC(N(CCC)C(=O)c3cccs3)CC2)cc1 1654545501 YMQXGJOFFCUBQA-UHFFFAOYSA-N 446.638 4.572 30 10 IJEE Cc1ccc(C)c(-n2c(SC[C@H](O)CC#N)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1655992161 FAWHEXDRSHBMAW-GOEBONIOSA-N 439.606 4.556 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)CCCC(=O)N3)cc1OC 1656734570 PIGNUKYZIYMDEZ-UHFFFAOYSA-N 431.330 4.909 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNCc2cc(C#N)cs2)C1 1657404278 CRPPOSZAHZXSHU-WIYYLYMNSA-N 429.561 4.889 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)cc1 1658516249 IZERIHQEVPEPEJ-IBGZPJMESA-N 436.339 4.809 30 10 IJEE C#CCOc1cccc(Cl)c1CN(CCn1ccnc1)Cc1ccc(Br)o1 1659124990 WQTRAFLILOPENP-UHFFFAOYSA-N 448.748 4.606 30 10 IJEE CCCc1c(NC(=O)NCC2CCN(CCC(C)C)CC2)cnn1-c1cccc(C#N)c1 1660854150 GWBKGZKDWBDNQA-UHFFFAOYSA-N 436.604 4.576 30 10 IJEE C#CCCCS(=O)(=O)N(Cc1cccs1)Cc1ccc(C)cc1Br 1661588688 DWWFPFJXFGGZJX-UHFFFAOYSA-N 426.401 4.564 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CN(C)Cc3ccccc32)cc1OCC 1662146615 WTPDZUMOTBSKAV-FQEVSTJZSA-N 431.374 4.689 30 10 IJEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)c1cccc(-c2ccc(OC(C)C)cc2)c1 1662799081 ANIGCXDSVLTMOD-PMACEKPBSA-N 443.613 4.860 30 10 IJEE C#CC[C@@H](CO)NC(=O)Nc1ccc(Oc2ccc(C)cc2Br)c(Cl)c1 1668420343 SHEAOXKMDOTJKH-AWEZNQCLSA-N 437.721 4.709 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1 1670866131 AFRNSIZHACKRJO-QFIPXVFZSA-N 434.536 4.680 30 10 IJEE C[C@H](NC(=O)N1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccc(-c2cccc(C#N)c2)cc1 1671561402 FSQNDUWJDIIYNQ-SFHVURJKSA-N 446.551 4.549 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)c1ccc(Cl)cc1F 1673320957 HIEZKEHYPAICSK-FCHUYYIVSA-N 431.939 4.543 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccc(F)c(F)c1 1674918772 JYANUZJGVXSTKL-IBGZPJMESA-N 444.873 4.910 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccc(Cl)cc1F 1675575888 BWWFEMVAHPFEDO-NRFANRHFSA-N 427.907 4.782 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2scc(C)c2C#N)c2ccc(OC)cc2OC)cc1 1677351237 CZFBRJIDHVBZFX-OAQYLSRUSA-N 437.521 4.865 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cc(F)ccc1F 1678359089 ACBSRUGPEGDDTN-UHFFFAOYSA-N 427.264 4.807 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 1683939262 NYIXITBQCBGOGY-QHCPKHFHSA-N 427.951 4.679 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1689898174 WCERTLDZDPKWRW-UHFFFAOYSA-N 431.968 4.866 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(CC)C1 1689906586 OTINQUMAOTVHDB-CYFREDJKSA-N 429.609 4.780 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](OCC2CC2)C1 1689913453 OKSKMLNNFHWEAK-GGAORHGYSA-N 436.600 4.844 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1c(F)cccc1F 1689950882 FLQCNJWBTSHRME-UHFFFAOYSA-N 426.536 4.866 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1690219561 HGIUCHXTMXJUAK-OIISXLGYSA-N 449.393 4.960 30 10 IJEE C=C(Br)Cn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1690233682 OHZHBJFKRIHWAX-PKOBYXMFSA-N 445.405 4.660 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCCc1ccccc1 1690330333 FOUJVRADVQBPNQ-UHFFFAOYSA-N 448.796 4.868 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1690432292 AHMOHGDLXFOQAH-MSOLQXFVSA-N 429.634 4.787 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690472743 UVVZVXHCCAHSAE-RTWAWAEBSA-N 441.595 4.836 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690474155 UHDJNWXDLLHUDO-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690503521 DLSFVKHCQRSRGN-HDICACEKSA-N 441.526 4.814 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCCc2sccc2C1 1690510921 JTSULWIZXLWJKJ-UHFFFAOYSA-N 442.560 4.603 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@H](CC)C1 1690736429 DMXRQZWYOAJJNT-SJLPKXTDSA-N 432.659 4.666 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS[C@H](C)[C@@H]1C 1690737753 WBMUTXCDSGUMFY-UONOGXRCSA-N 427.014 4.987 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1695852518 DAWPTUDTNOQTQZ-JOCHJYFZSA-N 441.023 4.527 30 10 IJEE C#CCN(CC)c1nnc(C2CCCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1705613871 RWEZHWRJJQEXEA-UHFFFAOYSA-N 437.588 4.985 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705622910 ZGPHSWBEGAJUMV-FPOVZHCZSA-N 445.007 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705698211 QXIBVKMESOMGIH-QJRASEFVSA-N 438.616 4.662 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1705727558 MVZWWICRZFSBMB-FQEVSTJZSA-N 425.360 4.745 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC2CCN(CC)CC2)CC1 1705763471 WAMOGAWRVHILEQ-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)CN2CCCC2)CC1 1705782756 HKWDZVDQGGQLFL-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1 1705814052 BMAXCOXJCSCAKK-ZIAGYGMSSA-N 439.785 4.941 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1sc(C)nc1C 1705838029 YXVXJVXFZALUGM-UHFFFAOYSA-N 446.418 4.954 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCCc1cccc(C)n1 1705860028 MPRSUEAXSQWYKN-UHFFFAOYSA-N 449.562 4.741 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)C[C@@H](C)C1)C(C)C 1705867319 LOHAKDJXRRGSNV-PQNGQFLHSA-N 436.648 4.829 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](COC)C1 1722311334 UOGSOWPMRYCPBC-IBGZPJMESA-N 435.597 4.653 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCc1nccs1 1722325995 PORFFLGKECRUFF-UHFFFAOYSA-N 425.627 4.824 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H](C)C1 1722401669 HAZOOTNAILDZTL-RTBURBONSA-N 443.016 4.502 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1CCC 1722417853 WFUAAFYSSLBFBL-JOCHJYFZSA-N 425.596 4.619 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC[C@H](O)C1 1722503126 YPYQLDABCMLAJW-BDTNDASRSA-N 426.605 4.988 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)C[C@@H](C)C1 1722536512 OTEMRWZQKOCRPD-RTBURBONSA-N 430.618 4.654 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C(C)C)C1 1722545976 DMXDJPUZZSFIRV-JOCHJYFZSA-N 439.991 4.966 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)CC1 1722570216 XNGVTDKACNWCNN-UHFFFAOYSA-N 443.020 4.747 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(C)(F)F)c2)CC1 1722574730 QQBUJGJGJFLURH-QGZVFWFLSA-N 434.531 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1722591099 FCNCXALDUHOACZ-XMMPIXPASA-N 444.627 4.971 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSC(C)(C)C1 1722591589 POQLANQQLCFCFA-UHFFFAOYSA-N 438.601 4.528 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722611984 PXEOFCBEIHGHKW-UHFFFAOYSA-N 443.020 4.965 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722633882 KINXWLDRQUADDN-RTWAWAEBSA-N 441.620 4.992 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(C)CCCS2)C1 1722719157 XWKZGMPQAPRFDX-VGSWGCGISA-N 449.020 4.674 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722732869 RKKHBSKTCZPHPZ-HXUWFJFHSA-N 428.646 4.593 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C1CCCCC1)N(C)C 1723773101 DHHWIKWTHIABLI-YADARESESA-N 445.615 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCN1CCCC 1740533721 CRYLEQCVKPZIPI-PWRODBHTSA-N 441.595 4.670 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCC[C@@H](C)C1 1740733472 FKFUZIOGGWXGQK-MRCUYLHHSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 1740756156 NXADUQXUDDUKKR-QMHWCDLVSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCC(C)C 1740763360 KEZPJTCBDIBQRP-QPPBQGQZSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccc(N3CCCC3)cc2)nnc1C(C)(C)C 1740766200 GQEMEKHFMUSRCT-FYYLOGMGSA-N 437.632 4.793 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCCC1(C)C 1740767952 BIEZPYZIYSWOEM-VWLOTQADSA-N 434.588 4.679 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CC[C@H]1C2 1740789367 JZPYTJBOIRDBKS-WMZOPIPTSA-N 431.378 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740850042 BBVVKMXYTMZVGH-SFHVURJKSA-N 444.570 4.881 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cc(F)cc(C)c3C2)nnc1[C@]1(OCC)CCOC1 1740851678 BQDWDXXRYLXVKV-VWLOTQADSA-N 442.579 4.543 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740852240 KWLYDIJYICIRCJ-NJDAHSKKSA-N 444.664 4.930 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@@H](SC)C1 1740882236 FOAKPRGWYUSJLQ-HXUWFJFHSA-N 437.613 4.808 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cccs1 1740890228 VTXCJSFBQWDNRH-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cccc(C(F)(F)F)n1 1740896507 WMJBWXUKRWFKFH-UHFFFAOYSA-N 426.446 4.521 30 10 IJEE C=CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1740912799 SJPASZICELRSEJ-DENIHFKCSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC1(SC)CCC1 1740916460 NSRDBLOSQMLIRX-UHFFFAOYSA-N 444.608 4.614 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(-c2ccsc2)nc1 1740933452 SSDQDXHNRLFDTD-UHFFFAOYSA-N 448.621 4.984 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C(C)C)N2CCCC2)C1 1740975456 VCGVLKGDPTVBTI-FGZHOGPDSA-N 444.023 4.500 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1748713225 PYSGGKZACXUPED-QFIPXVFZSA-N 445.567 4.811 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](OC)C(C)C 1748917925 QPBPZJBEJQGLML-LJQANCHMSA-N 426.561 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Cl)s1 1749129245 BUEGEWKDBHAXOF-BXWFABGCSA-N 437.009 4.505 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1749175883 SEMWDYITHPUPBU-HNNXBMFYSA-N 426.546 4.954 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749252537 SARIWUDJYCZCMM-VQTJNVASSA-N 445.007 4.919 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 1749511270 HFRUOXFTHVZLEO-ROUUACIJSA-N 444.023 4.641 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1760142856 OXQMHABBYCWWAW-UHFFFAOYSA-N 436.629 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC=CO1 1760289109 MFLDWGTWRCPVGN-KPDCDPCYSA-N 426.948 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C(C)C)N1CCCC1 1760334024 NODZBUHAFWSFPL-DEOSSOPVSA-N 447.631 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCCCC1 1760335372 ZDMWUEWJZCEPSF-UHFFFAOYSA-N 434.588 4.879 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760347303 QAVIYRNNSNRTLR-UNMCSNQZSA-N 445.007 4.975 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1 1760428070 OJVHTHWWDKOYSW-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760443377 GLTFALSDVLJKGG-NRFANRHFSA-N 434.588 4.633 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H](C)C1 1760446192 JRTZRSHNYZNWDI-INIZCTEOSA-N 433.394 4.845 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCS[C@@H](C)C1 1760452179 GTZFITGWRMLYSY-IBGZPJMESA-N 444.645 4.689 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1760483697 YVXOJSSQKVLVRF-DEOSSOPVSA-N 426.536 4.851 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2nc(C)c(C)s2)C1 1760538677 FWCMSYJWPNMRJE-IBGZPJMESA-N 444.004 4.696 30 10 IJEE CC(C)c1nc(CCn2c(-c3ccc4ccccc4n3)nnc2N(C)C[C@H](C)C#N)cs1 1760692330 DLDPRCMKEGDAQT-QGZVFWFLSA-N 445.596 4.912 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CCc1c(F)cccc1F 1761077602 CYCQGIGIYIZHTR-NRFANRHFSA-N 431.531 4.807 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]2CCC[C@H]21)N(C)C 1762158066 FUXQCCDQKLXZJF-JRFVFWCSSA-N 434.632 4.952 30 10 IJEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C(C)C)N1CCCC1 1764230305 FQBIWCBAWBUTMH-QFIPXVFZSA-N 432.572 4.699 30 10 IJEE COc1ccc([C@@H](C)CCn2c(CC3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1769958261 CSSLUQAQRYTJHE-MHECFPHRSA-N 425.552 4.655 30 10 IJEE C=CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=Nc1nccs1 1772724919 BDSJJBQSNWHBSR-GGYXWTDNSA-N 437.506 4.632 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCCC)cc2)SC1=Nc1ccc(O)cc1C(=O)O 1772761164 YWGJCQKIXHUKMA-JTKXPSIUSA-N 438.505 4.669 30 10 IJEE Cc1c(Cl)cccc1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12 1858241793 FFKQUHCRYYPXFF-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE N#Cc1cccc(C(=O)Nc2ncccc2OCC(=O)Nc2ccc(Cl)cc2Cl)c1 1858714513 ZECBBNBZBWVQJX-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE CCOc1ccc(/C=C/C(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 1859036578 MUASQMKYZNYPHH-XNTDXEJSSA-N 426.472 4.506 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc(OC)c3)nc2C)c(C#N)c1C 1859757907 RAUAKHCVALASTI-UHFFFAOYSA-N 435.505 4.736 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)c3ccc(F)cc3)c2)sc2c1CCC2 1860094701 JLPUKQSSCOWDTC-UHFFFAOYSA-N 435.480 4.517 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)c4ccccc4F)cc3)CC2)c1 1860684648 QIYQFXZSNPLUJD-UHFFFAOYSA-N 426.447 4.846 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccn(CC(C)C)c1=O)[C@@H](C)CC 1861288461 CGTQIJNCVBUBGZ-GMAHTHKFSA-N 447.664 4.906 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(=O)OC)cc1 1862381776 ARULPHDGSSWRBE-GOSISDBHSA-N 446.286 4.544 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1F 1862411164 AVJNHGJTYNLQHL-IBGZPJMESA-N 427.428 4.510 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1862435727 CSHVUWJHHXLIRX-LJQANCHMSA-N 438.823 4.620 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@H]2c2ccccc2C)cc1 1862515826 VTNBRWINPBEKEM-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(F)c2)cc1 1862517990 ZPJPHHBAEDEQFF-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1Br 1862540325 LDSRTKVSHHNITO-LJQANCHMSA-N 428.326 5.000 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCCCO)c1 1862654085 VFSQJUUIZKATLR-XMMPIXPASA-N 445.515 4.589 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)cc1 1862701087 WDYBIJVQGOPRAS-XORNHQRDSA-N 435.520 4.861 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC(C)C)cc1 1862718700 BXHATNQFKKURJK-HSZRJFAPSA-N 443.499 4.861 30 10 IJEE C=CCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2cc(Cl)ccc2Cl)C1=O 1863392178 SBUYXKQYKULJMJ-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE C=CCNC1=C(c2ccc(OCC)cc2)C(=O)N([C@@H](C)c2ccc3c(c2)CCCC3)C1=O 1863579365 WWTUZNYDZJKEIT-SFHVURJKSA-N 430.548 4.581 30 10 IJEE CSCC[C@@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1 1866716165 QHLJYLDXFSCHMQ-FOIQADDNSA-N 429.973 4.582 30 10 IJEE CSCC[C@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)cc1 1867185491 VWZDNHBCARZDHV-YWZLYKJASA-N 429.973 4.582 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868268598 PZTXYTHIIOZOMM-UHFFFAOYSA-N 446.986 4.672 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCOc2ccccc2)n(-c2ccccc2Cl)n1 1870004037 RGFMBMANGMVRKM-UHFFFAOYSA-N 437.931 4.507 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)CCc1ccc(Cl)cc1 1870110673 DAIAEGBLQMGPBQ-UHFFFAOYSA-N 434.714 4.730 30 10 IJEE C[C@H](NS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1C#N)C12CC3CC(CC(C3)C1)C2 1871287037 MGUMQNPULZLDID-QRYOHXEKSA-N 445.972 4.750 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 1871370002 CHIGOHSAIARQSI-NVMNQCDNSA-N 441.317 4.848 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC(C)=O)cc4)ccc3C2=O)cc1 1871382499 YFGJKJWYCIMJRA-OYKKKHCWSA-N 444.439 4.846 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871425199 BWYZLJKKOXOVMK-YOBACFSGSA-N 431.444 4.813 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccccc1 1871790039 OOBZKGQBVLTHJM-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(=O)(=O)CC 1871856008 JTIPYYXJKYKTAC-PGRDOPGGSA-N 430.570 4.670 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)CC 1871856812 PLNSRRUWDPQHAY-JOCHJYFZSA-N 430.570 4.814 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872002524 BBPPMHLNYJXTCQ-RXVVDRJESA-N 434.627 4.985 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCCCC)cc1)C(C)C)S(=O)(=O)CCC 1872160882 IBILUHLIKBGBIR-JOCHJYFZSA-N 438.634 4.837 30 10 IJEE C=CCc1ccccc1OCc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 1872834142 MWGFSJAJLOCRAV-UHFFFAOYSA-N 441.575 4.998 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCOc2ccccc2)=C(c2cccnc2)C1=O 1873075927 GFKRDHANVLQQPN-UHFFFAOYSA-N 449.595 4.971 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422858 SLUOWJNCSRCMOB-UHFFFAOYSA-N 441.531 4.871 30 10 IJEE COc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc3[nH]ccc23)cc1 1873503551 OQQHJUZBTXXRHH-DHRITJCHSA-N 448.552 4.504 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)cc2)cc2c(N(C)CCCC)ncnc21 1873665424 OSKCRJQXEGLBCQ-UHFFFAOYSA-N 442.361 4.868 30 10 IJEE COC(=O)CSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1cccc(C)c1 1874232727 QMCNQTYBLRETFQ-WGOQTCKBSA-N 444.560 4.672 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)OC)cc1 1874279922 UVNFPPGAMPVNLD-BUVRLJJBSA-N 442.972 4.888 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccco1 1874289521 JBKRMPBSOWGSIG-ZVHZXABRSA-N 434.521 4.942 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1/N=C/c1cccnc1 1874311783 SWQWBOGBLHTVHE-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cc(Br)ccc1O 1874380629 BVMDRXZTRRDGDH-WSDLNYQXSA-N 447.333 4.636 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1O 1874403527 FNYIGQDAGQRNSN-NLRVBDNBSA-N 444.560 4.692 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc[nH]2)o1 1874407594 GDXQEZYUMAEQMK-ZVHZXABRSA-N 441.557 4.673 30 10 IJEE CC(C)Cc1nnc(SCCO)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874492536 RRYZBRRQQCLSNB-ZVHZXABRSA-N 444.988 4.676 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3CC)nnc2C2CC2)c1 1874518071 ZWJWHLTXOFJEDR-MFKUBSTISA-N 449.580 4.730 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c1 1874572615 XBMFWCBSVLZZSZ-ZRDIBKRKSA-N 435.907 4.940 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)NCc1ccco1 1874625504 IGUUWAJFQWXWDY-KPKJPENVSA-N 449.478 4.747 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(OC(C)=O)cc3)c2)c(OC)c1 1874714506 ZFJRHNDSHBWOFK-VGOFMYFVSA-N 446.455 4.744 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1OC(=O)c1cnccn1 1875133680 GWSGGWJCHPCPQT-SOFGYWHQSA-N 447.447 4.516 30 10 IJEE COc1ccc2c(Cl)c(C(=O)N3CCC(COc4ncccc4C#N)CC3)sc2c1 1891362540 QEAGYTHOVNOAEH-UHFFFAOYSA-N 441.940 4.761 30 10 IJEE N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1F 1891679256 SLHBEAGXGCEWCK-UHFFFAOYSA-N 434.414 4.862 30 10 IJEE C#Cc1ccccc1[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 1894488371 SGDZGIHGBFBTPZ-JWQCQUIFSA-N 437.495 4.717 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)c(F)c1 1901484213 WZONVVYJXMLUCI-XMMPIXPASA-N 443.478 4.953 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(C#N)(N(CC2CC2)C(=O)OC(C)(C)C)C1 1901742265 LVPXBPMPNSWKLT-UHFFFAOYSA-N 433.471 4.515 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cc(Cl)ccc3Br)cc2)OC1(C)C 1912665279 VEENAWGUBGESMM-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 1926489024 IDSXGMJFZAOVKD-QMHKHESXSA-N 431.533 4.586 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H](C)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 1993734467 DODQKEURHZFVAL-GBESFXJTSA-N 425.614 4.519 30 10 IJEE C=C1C[C@H]1C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 1996705244 NMWORRAPHBXACB-XZOQPEGZSA-N 427.633 4.880 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c(Cl)c1F 2028857575 DQCINXTUGUWVDB-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2070326069 FZYNASLEZAWGSK-WOLJRWFJSA-N 441.616 4.843 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(CC)[nH]c1Br 2087656654 AQMJJZGZFRRVQB-HIFRSBDPSA-N 429.403 4.635 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@@]1(C#N)CO[C@H](C(F)(F)F)C1 2129108415 ZJBKDRUDVOEGHG-BBRMVZONSA-N 435.240 4.804 30 10 IJEE O=C(NC[C@H](NCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F)OCc1ccccc1 2146527740 GNEBRVPHUYNPDY-INIZCTEOSA-N 438.343 4.791 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1ccc(C#N)c(Br)c1F 2162292131 VDSCMWAZKWVRFK-KRWDZBQOSA-N 448.283 4.907 30 10 IJEE CC1(C)CC[C@@H](Nc2ncc(Br)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2162313880 ZDLOMGYSYMCOEP-GOEBONIOSA-N 437.382 4.847 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cccc(Br)c2C#N)CC[C@H]1C(F)(F)F 2174813249 UBDVUTDDEAQVBC-OCCSQVGLSA-N 448.283 4.603 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C#N)c(Br)c2F)CC2(CCC2)C1 2174813956 BSQQUFINJJTCPA-AWEZNQCLSA-N 438.341 4.734 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1Br 2181056845 YLCYEIWQWBLZMQ-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C1CC1)C(C)(C)C(=O)Nc1cc(Br)ccc1C#N 2181114732 NHSLNAFCXLOXLC-INIZCTEOSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Nc1cc(Br)cc(F)c1C#N)C2 2193309686 LTMBOEWYBBYDKX-FKSAFCJBSA-N 442.304 4.750 30 10 IJEE N#Cc1ccc(NC(=O)CCCCCNC(=O)OCc2ccccc2)c(Br)c1 2220588699 MOHDVDCEEOTZTC-UHFFFAOYSA-N 444.329 4.746 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]1[C@H](C)NC(=O)OC(C)(C)C 2235734952 YFQRRZCTQMBVDR-WOGUSJMUSA-N 435.406 4.718 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2235736636 ZOPCPHAQNWBZQS-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@H](N)C#Cc1ccccc1Br)C2 2235747606 REJPRZXKNORGFB-QYZOEREBSA-N 433.390 4.696 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)[C@H]3C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1 2258346633 SPPVHDNYEDKPOM-XHNJZIHCSA-N 443.544 4.586 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c2ccccc21 2267096838 LRYIDJAAGCUWFP-SJORKVTESA-N 442.365 4.647 30 10 IJEE C=CC[C@]1(COc2nc(Br)ccc2OC)CCCN(C(=O)OC(C)(C)C)C1 2287854609 LVFVSJDEDWXQAE-FQEVSTJZSA-N 441.366 4.825 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(Br)c(O[C@H](C)CC)c(OCC)c2)C1=O 2293983453 BAVIPSDRFBXEAC-GFCCVEGCSA-N 438.343 4.695 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296217741 XSKVTAQYZIQAJB-RTBURBONSA-N 434.374 4.589 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C 2296218274 CINNMNRIQQHYHQ-GUDVDZBRSA-N 439.369 4.516 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C12CCC(CC1)N2C(=O)OC(C)(C)C 2296220441 YFMGNGWXOXDZQA-GSVIPDFHSA-N 433.390 4.711 30 10 IJEE CC1(C)C[C@](C#Cc2ccc(Br)cc2)(OCCN)[C@@H]1OCc1ccccc1 2296222097 OWXSTNPETSIOQJ-GGAORHGYSA-N 428.370 4.530 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@@H](O)C#Cc3cccc(Br)c3)(C2)C1 2296225136 RJXFROCEQCTLLL-LQBOVUBWSA-N 434.374 4.589 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2296266216 FPGXWTYVKNLRHN-OXQOHEQNSA-N 445.348 4.717 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2296305169 PWMXYDNTEDBAJP-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CCc1nnc(SCCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2321010299 BQKOJPCRMGWDCQ-UHFFFAOYSA-N 433.350 4.959 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)cc1 2321977930 VBHKEQUAUNSRJZ-UHFFFAOYSA-N 441.531 4.896 30 10 IJEE CC[C@@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)c(OC)c1OC)C3=O 2322092086 NMKUKPWZPVDLHX-OAHLLOKOSA-N 439.508 4.587 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(N)=O)cc1C(C)C 2322799034 AELMASWGAIHVOG-UHFFFAOYSA-N 431.916 4.549 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccc(C)cc1 2323101646 BVPLGBZUOGJVMH-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc(Br)c2)cc(OC)c1OCC(=O)OC 2323666278 MZDYNEGOUZFVGN-UHFFFAOYSA-N 445.309 4.634 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Nc2ccc(C#N)cc2C(=O)c2cccc(C)c2)c1 2326807382 ZZGOCQFFDIEASV-UHFFFAOYSA-N 426.472 4.767 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)O)cc1 2328075316 STPSNYLXDKQULG-UHFFFAOYSA-N 426.929 4.575 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2cccn2C)cc1 2328436749 PVWJCWVJJXVRJI-UHFFFAOYSA-N 446.536 4.599 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OC)cc1OC 2329740753 AYODCATUDADKLX-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccc(F)cc3)n2N=Cc2ccc(O)c(O)c2)cc1 2329799796 JXPWAEWAJVYKTP-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1Cl 2330309860 MYHLCKZSYCOTAI-UHFFFAOYSA-N 434.993 4.982 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 2331020556 YGNBSSWVUWKIDV-UHFFFAOYSA-N 449.580 4.947 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1ccc(Cl)cc1 2331305032 HGWINDVHUVMFGC-UHFFFAOYSA-N 442.972 4.860 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(OCC)cc1 2331539957 IPORRBYFMJGSFO-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccc(F)c2)n(-c2ccc(Cl)cc2)n1 2331674033 WZLBAUDTHQJNPR-UHFFFAOYSA-N 437.906 4.890 30 10 IJEE C=CCC(CC=C)[S@](=O)CC(=O)c1cc(Br)sc1Br 2335209543 HKNWCYWBWGLUBK-LJQANCHMSA-N 426.195 4.725 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339254318 LUZYAIQNNUNNQO-UHFFFAOYSA-N 436.317 4.997 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339575059 QZVHJKVXVZYQQC-CYNGKWMKSA-N 444.381 4.752 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(C)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2363133237 PYXRBYXGEBSTAK-LJQANCHMSA-N 437.422 4.929 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)N 2381193477 ZNFIZTHOTVLKIX-UFNANVBGSA-N 434.378 4.990 30 10 IJEE C=CCn1c(SCc2noc(-c3ccc(F)cc3)n2)nc2sc(C)c(C)c2c1=O 30024504 MUTXPPJEKZJCQC-UHFFFAOYSA-N 428.514 4.742 30 10 IJEE N#Cc1c(NC(=S)NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CCCC2 40901522 GPDORMFUNYZGKL-UHFFFAOYSA-N 433.986 4.824 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 41285402 XKLJYUBDQNRGIF-JJFYIABZSA-N 430.412 4.568 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 63403745 WUWRLANIUSWCSI-UHFFFAOYSA-N 436.443 4.819 30 10 IJEE COc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 97447340 QSGAXGVGIZOIFV-GEISWOJLSA-N 441.483 4.886 30 10 IJEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N\C2CCCCC2)[C@H]1N1CCSCC1 105421768 FLAGTMGGFZGMQU-DFBXPRTLSA-N 426.655 4.880 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3)c(C(=O)OC)s2)cc(Cl)c1O 169942391 NLJWWEFSCOPTES-JJFYIABZSA-N 431.901 4.800 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2OC)cc1 169945598 DMEUBTSOWYXJHL-XMMPIXPASA-N 438.483 4.912 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccncc2)c1 170015395 ROQXHUASGBEBKK-HSZRJFAPSA-N 427.504 4.547 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccncc1)c1cc2ccccc2o1 170025009 JWPKNOWWAVYFCV-QHCPKHFHSA-N 442.446 4.788 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccncc2)cc1 170025645 WYWZGYMPKLKWNK-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccccc1C 170087897 HPTVFTDBLMEKAM-OAQYLSRUSA-N 448.544 4.855 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 170130106 OPXUIJADOMWKAJ-XMMPIXPASA-N 448.563 4.899 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)[C@H]1c1cccnc1 170195802 XCLJUSMITWXGNK-GOSISDBHSA-N 441.281 4.579 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@H]1c1ccco1 170279318 ZUWRLSWRNBSDCG-QFIPXVFZSA-N 446.503 4.754 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3OC)[C@H]2c2ccc(C)o2)cc1 170300628 XFXICPMVIPSHAP-HSZRJFAPSA-N 447.487 4.951 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccc(C)o2)cc1C 170304591 SGCVUZLRWGRXAG-QFIPXVFZSA-N 433.460 4.702 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 170347383 RLNJGWKURWRIDA-JOCHJYFZSA-N 428.444 4.721 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccccc1)c1ccncc1 170371521 JSMZSEYKNSBLMD-DEOSSOPVSA-N 439.515 4.855 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccc(OC)cc3)c(OC)c1)C2=O 210085072 GCOFQSUXBOOCKD-ZVHZXABRSA-N 446.455 4.938 30 10 IJEE C=C(COCC)[C@@H](NCCC)c1cc(Br)ccc1I 387423706 GPWVKKXSONIRJI-OAHLLOKOSA-N 438.147 4.687 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 460946198 NNRUWIHGGGSXPS-RBBKRZOGSA-N 431.588 4.707 30 10 IJEE CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O 490640515 SNGQBMVKCUMRRR-QFIPXVFZSA-N 444.466 4.759 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(Sc3ccc(C)cc3)C2=O)cc1 526660283 HYWZPMZYNKTQNE-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE C=CCn1c(SC[C@H](O)COC)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 537420842 DANGKLNYKYLKAO-LJQANCHMSA-N 446.576 4.754 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 549263354 YXWKYEPBPSPWBO-YADHBBJMSA-N 436.943 4.762 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(OCCc2ccccc2)CC1 549274476 NYXUWBJUBODICA-VWLOTQADSA-N 444.579 4.759 30 10 IJEE C=C(CC(=O)c1cccc(OCC)c1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585825225 FIMHUQZZUNTCNC-UHFFFAOYSA-N 449.595 4.658 30 10 IJEE C[C@@H](SCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc2ccccc2[nH]1 602225316 BPMQXOKZPDKFPO-CQSZACIVSA-N 433.562 4.915 30 10 IJEE Cc1ccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 610030807 YIVQSFIOWPBNNA-IBGZPJMESA-N 427.504 4.826 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2)cc1OC 619819189 KDUIGTCIQDIKED-RUZDIDTESA-N 431.540 4.531 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 641982917 XFWWJQFLSKMBKU-HXUWFJFHSA-N 438.984 4.550 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(Br)cncc1Br 698966386 SDLYODHFDGCLPI-LBPRGKRZSA-N 431.128 4.594 30 10 IJEE CC(C)(C)OC(=O)N(C1CC1)[C@H](C#N)c1c(Br)cncc1Br 710719365 JQSXULWTCUEZRZ-GFCCVEGCSA-N 431.128 4.571 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 728182065 TUMOTQGSVJJWPR-QHCPKHFHSA-N 430.529 4.694 30 10 IJEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1sc2cc(Cl)ccc2c1Cl 787059088 IOIMIHJJSWWMFA-AWEZNQCLSA-N 448.287 4.755 30 10 IJEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(Oc2ccc(Br)cc2)cc1 798828575 URFBSAJQVWLVGJ-ZIAGYGMSSA-N 441.285 4.570 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 805782396 KLMLFZOIVRECQJ-RDPSFJRHSA-N 425.532 4.934 30 10 IJEE O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C(=Nc2ccccc2)S1 1083887310 MUXZCSDSRYGEEE-NRFANRHFSA-N 433.508 4.986 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CCCN1C(=O)OC(C)(C)C 1127559594 IUASLDBVVPBQOH-SANMLTNESA-N 444.535 4.757 30 10 IJEE COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1129798876 DUFMGYXCOAYXON-UHFFFAOYSA-N 442.874 4.812 30 10 IJEE N#CCCN(C(=O)CCC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 1131679374 CBTPAKUAKLMDLM-UHFFFAOYSA-N 437.849 4.702 30 10 IJEE C[C@@H](c1ccccc1)N(C(=O)COc1ccc(C#N)c(Br)c1)c1ccccn1 1132738805 BGKIWBOWAJKDPM-INIZCTEOSA-N 436.309 4.889 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)c2)cc1 1132856773 CXAGUWWORUFURD-AREMUKBSSA-N 438.527 4.556 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCC1 1136426920 SVVVHAQHVRWBIP-JOCHJYFZSA-N 449.938 4.599 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 1136462731 UMDYSLNCDGMUPQ-FCHUYYIVSA-N 442.506 4.672 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 1136729060 QJYGODYWDDUWID-RMKNXTFCSA-N 430.470 4.741 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(C(C)C)C1 1137559585 ABOCYXNCARRIIO-RUZDIDTESA-N 432.564 4.974 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1OC 1141632153 AUMDAHWMZZMXDQ-KGXYIWNSSA-N 434.580 4.822 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCCCCC2)cc1 1142457435 MZKJOOJTIQJNDP-HSZRJFAPSA-N 443.632 4.928 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)/C=C(\CC)c2ccc(OC)cc2)nc1C 1144387938 ZCKDLOUIDZTNHQ-WYMLVPIESA-N 441.582 4.625 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 1161446312 GOTFIDYWUSBPSU-UHFFFAOYSA-N 431.471 4.712 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)C(F)(F)F 1167379068 LCBYXVSUGATBKJ-QVKFZJNVSA-N 446.469 4.927 30 10 IJEE C=CCOc1ccc(CN(Cc2c(C)nn(CC(=O)OC(C)C)c2C)C(C)(C)C)cc1 1179993198 HWMIOHZKLRQJMY-UHFFFAOYSA-N 427.589 4.817 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@H](CC)c2ccc(F)cc2)CC1 1197523045 FQGHLUAELXZLDZ-WMZHIEFXSA-N 429.605 4.559 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccc(C(F)(F)F)cc1 1200506006 COACKCKTSRRUQI-LJQANCHMSA-N 435.446 4.789 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 1201297472 HDSIBECCRQFMDP-XOBRGWDASA-N 436.405 4.850 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(C)ccc2Br)cc1 1214911957 JTBUGURGMJWKFX-UHFFFAOYSA-N 442.357 4.893 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)(C)C 1222359766 XUJBETMTQCVSKO-UNMCSNQZSA-N 441.666 4.917 30 10 IJEE C[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1(c2ccccc2)CCCC1 1224112405 FAHMXUMHTAPRAJ-BVVFMGSASA-N 432.568 4.843 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)N(CC)CC)CC1)c1ccc(C(F)(F)F)cc1 1224643255 SYZRDADTUPFCJF-IBGZPJMESA-N 440.510 4.502 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 1229990604 WVLZGDSCLSELFV-JTHBVZDNSA-N 443.385 4.630 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)c(F)c1 1269600360 OMBFPAGOJPYXMQ-QFIPXVFZSA-N 432.426 4.813 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCOCC 1286282419 QIJJNBPAYMUXRL-CQSZACIVSA-N 439.785 4.636 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCCCCCC1 1286498772 LXEMVZUDKWNFET-UHFFFAOYSA-N 433.419 4.845 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCc1nccs1 1286518928 MYHPEUZCYPLTGX-GAJHUEQPSA-N 439.560 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCSCC2)cc1 1286581763 UUDDRHJZPRUHKO-UHFFFAOYSA-N 427.662 4.871 30 10 IJEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(F)(F)F)CC1 1286611369 IOWBPDXRRQJJPN-UHFFFAOYSA-N 447.505 4.653 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1286632699 PHYLFQLHDVAPAA-UHFFFAOYSA-N 438.988 4.564 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1286650091 XGCPNYZCEGWDNV-AUSIDOKSSA-N 442.579 4.994 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1286679580 ROSOAVBCDZUWJP-BVAGGSTKSA-N 431.584 4.629 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)cc1F 1286681506 XOKZYSAWGAIJOV-UHFFFAOYSA-N 439.535 4.684 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1293931276 DSIWVFUPFBFOEU-WERVVEIQSA-N 425.577 4.557 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)c1ccc(Br)cc1 1298541471 IJFZEEBIBMKTGD-JOCHJYFZSA-N 435.321 4.773 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1299437519 AFTGHFYIVHQFCR-ICSRJNTNSA-N 435.524 4.774 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1300348858 NEYIYNQAVRIBLI-UHFFFAOYSA-N 446.599 4.788 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1300349251 SFPGGXPROROENT-HZPDHXFCSA-N 433.419 4.841 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1300349678 XIAMTJRLYYMHQR-QHCPKHFHSA-N 447.627 4.637 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(CN2CCCCCC2)CC1 1300419037 FUIIPSFBYKURKC-UHFFFAOYSA-N 433.644 4.569 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1300423100 HWOZVZCEEMSZPL-NRFANRHFSA-N 434.613 4.639 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCC1CCCC1 1300472897 LBUOVLOCEPZYBH-UHFFFAOYSA-N 431.378 4.659 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1CC 1300511696 BOUKETWDWYDCKQ-IEBWSBKVSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H](OC(C)C)c1ccccc1OC 1300581880 ZWYNDHDNDHDFMC-DEOSSOPVSA-N 434.584 4.574 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC1(COC)CCCCC1 1300616235 DNWXYHUZRSWACC-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CCC(=O)N1CCCCC1 1300925433 VPPKQNXHDSFZEG-UHFFFAOYSA-N 441.645 4.684 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1300963282 REUUQALKLTUJNX-IFXJQAMLSA-N 437.371 4.744 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1csc(CC)n1 1301032958 CAVBNCPDVVEBBJ-UHFFFAOYSA-N 439.976 4.539 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C(C)C)C(C)C)CC1 1301071220 ZYFGLMXYPPEISB-UHFFFAOYSA-N 446.437 4.983 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCCc2ccc(OC)c(OC)c2)CC1 1301088931 KSJRAMANQUNYDB-UHFFFAOYSA-N 438.597 4.737 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2ncccc2F)CC1 1301148932 SVZNJONMQFBLKV-HXUWFJFHSA-N 443.567 4.704 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCC1(C)C 1301294923 UTGFPYUXHGEDFM-LJQANCHMSA-N 431.625 4.841 30 10 IJEE C#CC[C@@H]1CCN(C(=O)CCC(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1301428626 PAXDYIFUNSKNBV-HXUWFJFHSA-N 444.575 4.956 30 10 IJEE Cc1cc(C)cc(CSCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1 1307313016 FXONZCHGINLXPN-HXUWFJFHSA-N 437.609 4.906 30 10 IJEE C#CCN(Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1)[C@@H]1CCc2ccccc21 1308634648 IVKYHVAVLALIAE-HSZRJFAPSA-N 445.515 4.777 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Br)c1OC 1309126997 BEVBSRHSEBFKRM-UHFFFAOYSA-N 444.778 4.531 30 10 IJEE N#CCCN(CC1CC1)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1311256171 FRHUNWNJQOVRDP-UHFFFAOYSA-N 441.329 4.859 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)[C@H]1CCCc2ccccc21 1311783443 IMHAOYWBWJYBJK-SIBVEZHUSA-N 449.570 4.570 30 10 IJEE C=CCC[C@H](NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 1311903888 GXPIBTRPRDVDLC-DEOSSOPVSA-N 441.019 4.859 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 1348246185 PHEXJJBUVDCYHW-IBGZPJMESA-N 426.582 4.938 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c(OC)c1 1350141063 RWALMNPICHEUMT-RTBURBONSA-N 437.536 4.811 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)COc2ccc(C#N)c(Br)c2)c1 1352619872 IGVYCVGWPYAORO-UHFFFAOYSA-N 445.316 4.914 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 1355001280 YHRVGQSKEBGZFV-UHFFFAOYSA-N 435.549 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1359090553 CQCRKTGFJBXTAZ-DXKRWKNPSA-N 426.580 4.981 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@@H](C)C#N 1359090919 HMUGMEAQDUOSCS-JDLLUZBXSA-N 437.588 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@](C)(O)c1ccco1 1359111582 GNNGYKBOFFYMOD-XMMPIXPASA-N 433.512 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCC[C@H]1CC 1359114214 CLDAMNXWEBZIHD-LJQANCHMSA-N 431.575 4.814 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1359124360 YXPOKWUJUXHQDH-QFIPXVFZSA-N 437.632 4.930 30 10 IJEE C=C(Cn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1C(C)(C)C)c1ccccc1 1359140526 DQLUAEASSKUEHO-UHFFFAOYSA-N 442.489 4.661 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)C2CC2)CC1 1359173782 OAVCBRCXYBZOAG-MWTRTKDXSA-N 430.980 4.635 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1359193505 FKGFYYYHYBOUEM-SCDRESIJSA-N 437.632 4.799 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359202163 LFFUYRBKOMMERM-RHSMWYFYSA-N 446.477 4.585 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ncc(CC)s1 1359209341 KKEKYJFEESPTME-UHFFFAOYSA-N 449.422 4.668 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCCOC1 1359223478 MGIUJYWBFFKBBS-MOPGFXCFSA-N 444.645 4.587 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1359248315 IRLSVTAAKCQYAS-LPHOPBHVSA-N 445.405 4.722 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CC1CCC(F)(F)CC1 1359261155 YINQNLAMMIPNCE-IBGZPJMESA-N 434.506 4.939 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1ccc(C)s1 1359275883 JPSCKVIDSPIEGQ-UHFFFAOYSA-N 429.593 4.917 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)c2ccccc2)C1 1359326242 VWYXCJOEWIZJJQ-KZKAQZJJSA-N 438.616 4.782 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1359343184 NREBYUOZPAEWJC-UHFFFAOYSA-N 430.593 4.634 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cnc(-c3ccccc3Cl)nc2)n1 1435670412 HXUVWBFEZLURAO-UHFFFAOYSA-N 435.274 4.760 30 10 IJEE CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C#N)ccc1F)C1CC1 1435881231 HIAPVKLJDSVTRP-LJQANCHMSA-N 435.282 4.913 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Br)c(F)cc2C)CCCN1C(=O)OC(C)(C)C 1459774348 GHTPUJANSWJRQH-HXUWFJFHSA-N 439.325 4.628 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2)cc1 1465437560 IEYYBHHJZMRAGA-KRWDZBQOSA-N 448.429 4.556 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 1470785512 FGAHUDGFBNIINW-NAVOZUGXSA-N 439.600 4.858 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)Cc1cn(C)c2ccccc12 1470936525 NBLHIMCMZAWZSU-TZIWHRDSSA-N 427.589 4.865 30 10 IJEE Cc1ccc(CSc2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n[nH]2)cc1 1472355365 HTVFBRIDUFEGKD-UHFFFAOYSA-N 445.504 4.701 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 1472616420 SKMNKLZSCLPYEN-SFHVURJKSA-N 441.919 4.599 30 10 IJEE CCCN([C@@H]1C[C@H](OCC)C12CCCC2)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1474985269 GBOISUDIEWQHMY-MOPGFXCFSA-N 444.519 4.716 30 10 IJEE Cc1ccnc2c(S(=O)(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)cccc12 1475418344 HAKSUHTTXGBCAP-OAHLLOKOSA-N 433.455 4.665 30 10 IJEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SC)C1)C(C)(C)C 1503974621 BDKJIONVGQLMOQ-PMACEKPBSA-N 427.618 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](OC)[C@@H](C)CC 1507769673 MAKFBSHXDJODST-XTQVGHSUSA-N 430.980 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C(C)(C)C)C1 1507804704 MFQBVCBBFVIWKC-MZKRTTBSSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1sc(C)nc1C 1507815038 AJPUQOXJBYJNFH-UHFFFAOYSA-N 449.422 4.570 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(c2ccccn2)CC1 1507828930 OUUWOFCVCLKSDS-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCCO1)c1ccccc1 1507928772 LSTSNCOJOYKTAO-BJKOFHAPSA-N 431.584 4.629 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(F)F)C1 1507959441 NBBZYVUJRIDVRU-GOSISDBHSA-N 427.499 4.568 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1508047242 DJZJOIISXBXPFF-BXUZGUMPSA-N 445.283 4.537 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1508150608 NRLDWVIVZKISOJ-FQEVSTJZSA-N 432.037 4.582 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CCCC1 1513622503 GEFPFHZCWFLXJW-LJQANCHMSA-N 437.588 4.703 30 10 IJEE CC1(C(=O)N[C@@H]2COc3ccc(Cl)cc32)CCN(c2ccc(Cl)cc2C#N)CC1 1517189987 FDOZQKWBNHHPAD-GOSISDBHSA-N 430.335 4.721 30 10 IJEE C=CCc1cc(C(=O)N2CCc3c(Br)cc(C)cc3C2)cc(OC)c1OC 1517796220 DYGJJQQUXMBDMZ-UHFFFAOYSA-N 430.342 4.702 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H](C)c2nc(C)cs2)c1 1518362599 GMEJITQMNLMDRL-INIZCTEOSA-N 436.585 4.652 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(-c3csc(C)n3)s2)CCCN1C(=O)OC(C)(C)C 1523449627 OYUNVFPDPVWHJD-QFIPXVFZSA-N 445.610 4.589 30 10 IJEE C=CC(C)(C)CC(=O)O[C@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(OC)cc1 1523581617 NWXZRXCTQVXTAG-JPYJTQIMSA-N 445.581 4.591 30 10 IJEE COc1cc2c(cc1Cl)CN(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CC2 1523872361 BDJORYCJVPXEPG-UHFFFAOYSA-N 432.907 4.998 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)C1 1526527135 QNJUDSSFRHTOEI-LLVKDONJSA-N 440.206 4.701 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2sc(Cl)nc2C(F)(F)F)cc1 1528317093 YAXBQFHGHHMWBP-UHFFFAOYSA-N 429.851 4.882 30 10 IJEE C=CCC1(C(=O)N2C[C@H](C[C@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)CCC1 1536017312 PYNZFQUWMYABJK-PMACEKPBSA-N 440.584 4.889 30 10 IJEE CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc1 1536616419 CVWILPTYTGHEDO-KRWDZBQOSA-N 430.533 4.626 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)ccc1OC 1537916246 DRABSGWVRZEWBV-CQSZACIVSA-N 442.821 4.858 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1539068028 OLDSEFJDDYVGLT-QHCPKHFHSA-N 428.584 4.557 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSCC(F)(F)F 1539350193 DKIOUGDEWOMAPY-AWEZNQCLSA-N 442.576 4.886 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1539587125 WDSABEPRNYAIGT-LJQANCHMSA-N 445.405 4.548 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](SC)C1 1539634770 CWQCQVSLHSBUTP-WPYKKVEZSA-N 444.620 4.711 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C)[C@@H](C)CC)CC1 1539836885 ZJKVCIGCSFPFIC-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2nc(C(F)(F)F)cs2)CC1 1539855360 VEJLSWWLJIRYCH-UHFFFAOYSA-N 425.505 4.610 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539855699 CWMSUNHSAUMAQS-QHCPKHFHSA-N 430.980 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](C)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539929334 SNXGSYFXJLTBDF-HCXYKTFWSA-N 431.625 4.886 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1 1539946553 BYMWQJHRGKCYEZ-PZJWPPBQSA-N 439.604 4.646 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1540077954 VQDRNUUXQBTDCA-RTBURBONSA-N 431.575 4.527 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1Cc1sccc1Br)C1CC1 1540111347 HNABLMCMHCORDB-UHFFFAOYSA-N 435.416 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C 1540134060 NKMGYUIEIAAEAF-QHCPKHFHSA-N 448.590 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Br)n1C[C@@H](C)OC 1540140978 XHNZEOAVVLISQH-OAHLLOKOSA-N 447.402 4.997 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCc3cc(F)ccc3C2)nnc1C(C)(C)C)C(C)C 1540152350 SIGMTVFDQZQPTI-QHCPKHFHSA-N 439.623 4.976 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CC1CCN(c2ccncc2)CC1 1541109389 FZIGBVLGUOUULA-GOSISDBHSA-N 449.990 4.506 30 10 IJEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(C)(C)C)cc(N2CCCC2)n1 1542204020 CJAAIMIYBPYYBM-UHFFFAOYSA-N 443.599 4.651 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)c1 1543755663 AZLFVRSBFDDPKH-MRXNPFEDSA-N 429.398 4.570 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CC#N)N(C)C 1545807111 AZEZPNPMMTZENF-FDDCHVKYSA-N 433.604 4.598 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)C1 1552504040 CAYPXFJNJXUHQU-AGOPTVSRSA-N 439.629 4.600 30 10 IJEE N#Cc1ccc(NC(=O)CCN[C@H](c2ccccc2)C2(CO)CCCCC2)cc1Cl 1559911252 GJOAXVMMWPBUPS-HSZRJFAPSA-N 425.960 4.814 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(NC(=O)NC(C)C)c1 1570213397 COPKSUXTWXTCSQ-UHFFFAOYSA-N 432.318 4.796 30 10 IJEE CC#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 1583661563 JSILZDWHCLHJPY-DGDHUYAWSA-N 430.935 4.879 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)s1 1584197728 ACYJXHWTTAXJKT-YVEFUNNKSA-N 429.032 4.719 30 10 IJEE COC(=O)c1cnc(C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)s1 1584905260 FZQLEEJRDXPFRE-UHFFFAOYSA-N 447.516 4.613 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1587598400 ATGAVYOPRBAYDB-BGWNEDDSSA-N 436.600 4.809 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cc(C)cc(C)c1 1587932342 PPUQPHOONCBXGB-QGZVFWFLSA-N 434.609 4.897 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1589317840 VQPQWTWWWHJINZ-CJNGLKHVSA-N 446.176 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1589483605 PEBIIGXXYIXCPQ-TZIWHRDSSA-N 427.549 4.706 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C#N)CC1 1589503475 DMBCRJBLNRPNMO-GMAHTHKFSA-N 433.600 4.964 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2c(F)cc(F)cc2C1 1589547540 URDIBFMUVNWZFS-ZHRRBRCNSA-N 430.543 4.689 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1594455078 KXNLDSDPDKARAR-ROUUACIJSA-N 431.378 4.678 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC=CO1 1595185122 OIRIQBAFWLSWAR-INIZCTEOSA-N 433.325 4.718 30 10 IJEE C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CN(C)CCCC)CC1 1595387244 WVMLUDFTKXEPAE-UHFFFAOYSA-N 434.588 4.734 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)C(C)(C)C)c1 1595487368 GJPMLQFWTHTBNB-UHFFFAOYSA-N 434.989 4.982 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1595877966 DWMJUQDSVVIUFM-UHFFFAOYSA-N 446.064 4.831 30 10 IJEE CN(C)C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccc(Cl)cc1 1622866589 BPVVSZLRWPKOMV-NRFANRHFSA-N 435.915 4.823 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C(C)C)C2)c1 1630993844 DJKQCYCUERONEW-SFHVURJKSA-N 447.000 4.839 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)cc1 1635152308 LEENSJYGEQKFRQ-UHFFFAOYSA-N 443.588 4.574 30 10 IJEE C=CCn1c(S[C@@H]([C@@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CCCCC3 1640569100 UJOJRPNVZXFEBG-WBMJQRKESA-N 444.544 4.972 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1C 1641998287 GPJXFINILNFUPM-BDYUSTAISA-N 444.623 4.537 30 10 IJEE C#Cc1ccc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1648495614 PDTSSUZKQQGLJW-UHFFFAOYSA-N 432.545 4.509 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C2CC2)cc1OC 1651829228 HCXBGOKNVPNKIA-QREKBSMOSA-N 449.547 4.826 30 10 IJEE C=C(C)CN(CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)Cc1cnn(C(C)C)c1 1653580904 KZOWIJAALNDKEL-UHFFFAOYSA-N 449.624 4.863 30 10 IJEE N#Cc1c(Br)cccc1S(=O)(=O)NCc1cccc(Oc2ccccc2)c1 1653613189 GTKKZFGVLSPCDJ-UHFFFAOYSA-N 443.322 4.592 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 1657182799 DVKHLYHXPBRJJO-KKSFZXQISA-N 439.369 4.833 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 1662113622 IYGOOTOMIIROHL-UHFFFAOYSA-N 437.565 4.885 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(C)C 1665700046 AEEOIBKCMFSSKW-NQIIRXRSSA-N 439.431 4.570 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)c1ccccc1 1666930278 UQNIWTUHPHPJDW-YYDVJCTNSA-N 425.548 4.946 30 10 IJEE Cc1csc([C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C(F)(F)F)n1 1667890710 CTAXXXPQWFRNJV-MRXNPFEDSA-N 433.415 4.936 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2Oc2ccc(OCCC)cc2)cc1 1668818842 TVWMUZYDTGBVOY-JWQCQUIFSA-N 436.552 4.677 30 10 IJEE CNC(=O)CC1(CNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCCCC1 1671954759 GJUQZBAOCRCDBI-UHFFFAOYSA-N 436.581 4.918 30 10 IJEE C=CC[C@@H](NC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1)c1ccncc1 1679334738 MZTRRGKODAZZRY-LJQANCHMSA-N 442.357 4.988 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 1683266329 AUEHEEAQGMSDSE-HNNXBMFYSA-N 437.300 4.793 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173394 HOGUNFFOGVJTFB-DNVCBOLYSA-N 425.520 4.965 30 10 IJEE C=CCCCCCCNC(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 1686410567 MVKVBUYPWSJKFW-HXUWFJFHSA-N 425.577 4.570 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1689884316 QSVUUUGUJGPLGH-LJQANCHMSA-N 426.008 4.713 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1689895442 UCHZXPANZBEJGG-UHFFFAOYSA-N 442.051 4.884 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1690227833 HZGBCOTWZXVJHP-WDSOQIARSA-N 431.378 4.811 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CCCO)CC1 1690241168 PHBSRTCDLOSEMB-RBBKRZOGSA-N 445.007 4.569 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1690309469 AQEKVYQDAPLXDE-KRWDZBQOSA-N 439.510 4.643 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN(CC)C(C)C 1690518428 JLHXSOQITCSJSO-UHFFFAOYSA-N 440.817 4.714 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CCCCCC1 1690531981 DWFDBNOSGHMRCA-UHFFFAOYSA-N 426.605 4.996 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 1690541279 UXHILMJGEUUZRV-ROUUACIJSA-N 429.012 4.516 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)nc1 1690553836 JXUSLVBZHBWXSU-UHFFFAOYSA-N 429.524 4.799 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCc2ccccc21)C(C)C 1690581345 PPNIKQOVZVMMGN-DEOSSOPVSA-N 430.600 4.676 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)C1CCCCC1 1690643735 RFUMILDTCUKOMN-SFHVURJKSA-N 431.625 4.984 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690738524 PYYJUTANQQFFOF-KRWDZBQOSA-N 433.021 4.649 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCO[C@H]1CCCC[C@H]1C 1705505628 MHIKRJBKYWKLJG-URVUXULASA-N 426.630 4.932 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1C(C)C 1705705750 KZAZNYKIAQIJLE-PFATUAPWSA-N 438.616 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H](C)CC#N 1705710412 XWYXQBXLZQZNCJ-DXIQSLLYSA-N 425.602 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(Cl)s1 1705713685 PIFUTDRTVNKODL-UHFFFAOYSA-N 430.961 4.882 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCN1CC 1705714088 DFKRXLRQLKSZCP-NRFANRHFSA-N 434.588 4.877 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CC)C1 1705730895 PSJRXHHPDUFOCG-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)C(C)C)CC1 1705765532 QEJBAVRTMWVBAC-NRFANRHFSA-N 433.394 4.579 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 1705796976 NXUJWAVGOHNWAM-ZJSXRUAMSA-N 449.643 4.675 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CCN1CCCC(C)(C)C1 1705881045 ZETUFBCRHGWDCW-UHFFFAOYSA-N 448.615 4.599 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705888096 FFNMNZVTMINDLB-QZTJIDSGSA-N 431.378 4.678 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C3CCOCC3)C2)cc1 1705911375 GFACEYIIIXHMEW-QFIPXVFZSA-N 438.616 4.733 30 10 IJEE C[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1708044738 GMIJKGJVTJJGNU-QUCCMNQESA-N 437.588 4.559 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722325874 CCAWMDGXWQKLOX-IOMROCGXSA-N 428.552 4.610 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H](OCC)C1CCCC1 1722470415 FWNKJVFNNRRSPU-JYFHCDHNSA-N 431.584 4.794 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)=C(C)C1 1722500599 CIJYYHHXGNCXCE-RDGATRHJSA-N 436.600 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cccnc1OCC 1722504327 HDABGMGPZVSGOJ-UHFFFAOYSA-N 443.555 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1722511973 SILNQAUMNOJNKX-RCZVLFRGSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccsc1Br 1722515534 UFILXUBDHQCXOC-UHFFFAOYSA-N 432.391 4.539 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1722520095 SPSYREYLEVDBGX-MDNUFGMLSA-N 437.632 4.917 30 10 IJEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1722525304 AYEPLHXTVHRBGJ-UHFFFAOYSA-N 440.473 4.748 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722556962 YVRNDETYAAGKIV-VSOVRNOCSA-N 445.007 4.504 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCC[C@@H]2CC)CC1 1722564193 KBSXABCXIOTOOW-RTWAWAEBSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ncccc2N(C)C)CC1 1722581454 DPIJGYZQIQVGPE-UHFFFAOYSA-N 448.640 4.791 30 10 IJEE C=CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(F)(F)Br)C1CC1 1722650084 NDILSEUEXSLZCM-UHFFFAOYSA-N 436.304 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCSC(F)(F)F 1722663247 SVKGRMZXFIDBCM-UHFFFAOYSA-N 439.532 4.771 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCCC(F)(F)C2)n1 1724495916 FBIZTILFNZDYKA-XMSQKQJNSA-N 428.531 4.994 30 10 IJEE CO[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1729863743 BNZBAMDWJYYBMJ-VFNWGFHPSA-N 447.967 4.926 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740568593 JFQMOPGSFPITNQ-UHFFFAOYSA-N 445.405 4.905 30 10 IJEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCCC[C@H](SCC)C1 1740595608 HHKILSBTEDJETM-NRFANRHFSA-N 426.630 4.945 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCO[C@H]1C(C)C 1740648868 LCYPSKOXIWUSSE-ARNLJNQMSA-N 448.611 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(OC)C1CC1 1740725512 MVCZCYHDJPTOES-VEYWIMSWSA-N 442.991 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCSCc1ccc(C)cc1 1740729488 GKAVXRJAPDTBNH-RUZDIDTESA-N 431.609 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[C@@H](COCc2ccccc2)C1 1740760157 GYARZEGUDXJLIS-OYRHQHFDSA-N 438.616 4.501 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(OC(C)C)c1 1740760494 JDLHHGVSQIRYQM-XUZZJYLKSA-N 426.605 4.881 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1740785517 KRUIOCJFZHJVJT-AWEZNQCLSA-N 425.360 4.744 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740789341 CHZMFKMZMQQHCB-VCOUNFBDSA-N 440.588 4.570 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(Br)c1 1740886099 WBKRMPXNFVPUNA-LJQANCHMSA-N 449.393 4.511 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C(F)(F)F)cs1 1740901977 SGEWRSQJOGLPAJ-UHFFFAOYSA-N 431.846 4.883 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nc(C)c(C)s1)C1CC1 1740907091 OVAJXEXBVQTLCG-UHFFFAOYSA-N 429.977 4.884 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](C)C1 1740914665 WRQCSFRVEOSYTR-AUSIDOKSSA-N 448.615 4.777 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCc1nccs1 1740921478 VPOSOBIZBHFNEY-UHFFFAOYSA-N 434.544 4.679 30 10 IJEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N(CC(C)C)C1CCCC1 1742641721 GBOGRPDPRMIPLC-UHFFFAOYSA-N 429.572 4.563 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1748656257 OWQMNVAZRUUKRA-UGUYLWEFSA-N 431.353 4.741 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1748699700 QXTYDUGPKSAUIE-XLIONFOSSA-N 430.980 4.736 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](c2ccco2)C1 1748738380 AHXBCTUROFIFGN-FQEVSTJZSA-N 434.540 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1748890779 WAHVRDPJUQMYRH-FYYLOGMGSA-N 435.641 4.543 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCC)CC1 1748950760 ODJBCQGQXBYQFO-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(CC)C1CCCC1 1749028846 HWOQDBRVGQAROL-UHFFFAOYSA-N 433.419 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1CCCN(C)CC(F)(F)F 1749149930 JNSNBJNMAGDTEO-UHFFFAOYSA-N 446.521 4.780 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2ccccc2OC)C1 1749284209 HPUNPQDROICXJM-FBBABVLZSA-N 445.007 4.952 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1749345500 KGHBEXCSGZGHLQ-QFIPXVFZSA-N 444.627 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1749370573 KOXRGRLZMYRKSS-UHFFFAOYSA-N 442.579 4.732 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 1749380930 BEKRJKLVDUFMGB-YNMPZUNCSA-N 438.616 4.926 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CC(C)(C)c1ccc(OC)c(OC)c1 1749549013 OXKKQGJNVFUPDR-UHFFFAOYSA-N 426.586 4.836 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(OC)CC2)cc1 1749683770 FYIGWVBYTXNYFK-RDGATRHJSA-N 440.588 4.528 30 10 IJEE CC(C)CCn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1750798510 DZEJDDMBCCYRDN-UHFFFAOYSA-N 434.632 4.641 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(Cl)s1 1760216335 JWPIVJNUTXXXSX-UHFFFAOYSA-N 447.951 4.826 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1C[C@H](F)C1 1760223988 TZJVGZOPUBEJMA-AQYVVDRMSA-N 436.575 4.756 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)c1cccs1 1760282480 FNGOXGPISJHWNO-HNNXBMFYSA-N 432.565 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C)c1 1760299306 QLBGTZHCZRRUGI-HFZDXXHNSA-N 449.599 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccon1 1760319073 QMWQJGVDNPQMAP-KUHUBIRLSA-N 448.354 4.858 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1760322196 PGLZLURLSBBIRH-FPOVZHCZSA-N 429.634 4.607 30 10 IJEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N(Cc1ccco1)Cc1cccs1 1760376809 FBCSVVYIEZQNFO-UHFFFAOYSA-N 425.945 4.878 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nc(C(C)C)cs2)CC1 1760393331 NJCYHAAPJXLONC-YLJYHZDGSA-N 429.634 4.981 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1 1760407502 FTROBLHSUNBJRV-UHFFFAOYSA-N 434.588 4.880 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1760414171 HORRAEGBAFTIRN-UHFFFAOYSA-N 439.560 4.789 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(OC)cc1 1760414323 NBMOUKCEEYWCBX-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE C=CCCCCn1c(CCOc2ccccc2)nnc1N1CCC=C(Br)C1 1760428738 FKQRZTIHHYHCRP-UHFFFAOYSA-N 431.378 4.745 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCO[C@@H](C)C1 1760433205 BOYXCGUJPPTKNK-AWEZNQCLSA-N 439.785 4.942 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCc1ccnc(C(C)(C)C)n1 1760466436 URXXJZPVTQLYFZ-UHFFFAOYSA-N 443.599 4.693 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC2(CCCCC2)O1 1760491208 XOQVHWHMABQYSQ-NRFANRHFSA-N 437.544 4.914 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)Cc2cccs2)C1 1760538279 XNTRATMRHAIFES-GHTZIAJQSA-N 433.581 4.538 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2C[C@@H](OC)[C@H](C)CC)C1 1760538787 WJNWYIYTDFHFDK-DRMXPCRNSA-N 449.599 4.644 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1cccc(O)c1 1760561938 QXEBDTLRFSPFFO-OAHLLOKOSA-N 429.977 4.816 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)c(C)o1 1761653825 HBZJVGJBZNGRRS-SANMLTNESA-N 447.583 4.734 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1766793795 BXFPGHKJIGXATQ-NRFANRHFSA-N 440.661 4.517 30 10 IJEE Cc1nn(-c2cccc(Cl)c2)c2ncc(C(=O)Nc3oc4c(c3C#N)CCCC4)cc12 1859756236 MAKFMOVLOJDVTB-UHFFFAOYSA-N 431.883 4.978 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)[C@@H](C)CC 1861170466 ZZDZFQOFEKTVRU-WIOPSUGQSA-N 443.676 4.906 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862417301 QIVBWEROQYIHLE-FQEVSTJZSA-N 440.833 4.792 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 1862435890 HODIVAASBWFFJK-IBGZPJMESA-N 426.856 4.769 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc(Br)c1)c1cccc(Cl)c1 1862452385 ANBBFMPWIZDHPY-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(O)c1 1862523609 LDARAKNEJKIHAO-LJQANCHMSA-N 444.325 4.779 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862584051 OYTNCHFHKSOFKB-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862594154 AOKLEDYQUGZNGL-HSZRJFAPSA-N 428.488 4.689 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(OC)c2)c1 1862703146 SCCLPWVPCKZUSA-FQQGMQMYSA-N 435.520 4.861 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccc(F)cc2F)C1=O 1863310665 RNMMYQUQSATADX-UHFFFAOYSA-N 446.453 4.922 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N(C[C@@H]2CCCO2)C1=O 1863692284 XNPWYIYHJZKFOJ-QFIPXVFZSA-N 442.600 4.683 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccccc1C#N 1866693931 CQJCBKOQZVMDGT-ZCYQVOJMSA-N 440.547 4.593 30 10 IJEE C[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867117091 LUJAGOBVRHFENB-OXJNMPFZSA-N 433.458 4.502 30 10 IJEE CC(C)C[C@@H](C(=O)N[C@H](C)C(=O)Nc1ccc(C#N)cc1)c1cccc(Br)c1 1867198508 QXCNSPWSKRQZCS-FOIQADDNSA-N 442.357 4.594 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CCc2ccccc2[C@H]1c1ccc(OC)cc1 1868119931 ZEBWXCQGDRRZIH-HHHXNRCGSA-N 429.516 4.813 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CSc1nccn1C 1870227360 ITXPYKCBMTUYMA-UHFFFAOYSA-N 449.617 4.567 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2cccc(N(C)C)c2)cc1=O 1870837746 WURVXHIGIYCJCC-UHFFFAOYSA-N 442.648 4.827 30 10 IJEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CNc1ccc(OC)cc1 1871219887 REGAQRFJWSHGHG-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE Cc1c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871382419 UGNDCRJJDCLTJZ-DWVIGKKNSA-N 428.400 4.533 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 1871427018 JDUHUVNNSHWYCF-XKZIYDEJSA-N 440.492 4.741 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)cc1 1871430222 FFZNUIVAKPXAMH-QRVIBDJDSA-N 439.471 4.597 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1871871811 UNLGWYZTLVSDDQ-OAQYLSRUSA-N 434.989 4.960 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871871940 AGQFYGFWZAQGSP-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)CCCC 1872348299 DAGHQCVHOHIELB-QHCPKHFHSA-N 449.661 4.792 30 10 IJEE N#C[C@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872772172 APHULJRLWOAEFS-CYBMUJFWSA-N 441.852 4.633 30 10 IJEE COc1cc(OC)cc(C(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c1 1872788640 MYPXFDPRQBEMHV-KRWDZBQOSA-N 428.897 4.979 30 10 IJEE CCCCCCCCCCN1C[C@@H](C(=O)N(CCC(=O)OC)Cc2ccccc2)CC1=O 1872966781 SVOJTSXUCXZLMF-QHCPKHFHSA-N 444.616 4.568 30 10 IJEE CCCCCCCCNC1=C(c2cccnc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873079199 ARDFEBMQWRNHJJ-UHFFFAOYSA-N 444.579 4.836 30 10 IJEE Cn1ncc(N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c(Cl)c1=O 1873526156 QFLMSMWUUJQRPY-NUGSKGIGSA-N 437.714 4.766 30 10 IJEE CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(C(C)C)cc1 1874207476 JZTHHEYBEPVFKQ-NFCNUSAFSA-N 433.581 4.522 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874303668 MDZRKZUWKFYBNB-ZVHZXABRSA-N 438.553 4.532 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 1874426408 GYTQMVUEKSIHNC-AFUMVMLFSA-N 432.480 4.957 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@H]2CCCO2)cc1O 1874452005 YPBVTPAAQCIZGC-ZICLHRSZSA-N 448.907 4.508 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)(C)C)c1 1874483986 YEFXAHQUEOYMTA-ZVHZXABRSA-N 437.569 4.506 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874521628 CQDTZFILMNZIRN-SSDVNMTOSA-N 434.352 4.760 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874524297 HQFYBQMAXPWNPA-HZHRSRAPSA-N 438.557 4.769 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874530519 NLDQGIXJXXROAG-LSHDLFTRSA-N 434.352 4.815 30 10 IJEE CCCOc1c(/C=N/n2c(S)nnc2COc2ccc(Cl)c(C)c2)cccc1OC 1874568175 KVYAJUQNLYMUSC-FSJBWODESA-N 446.960 4.787 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2cccc(C)c2)c1 1874573387 LFLVAXPATKUCTL-BUHFOSPRSA-N 431.488 4.926 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)ccc1OCC(=O)NCc1ccccc1 1874627142 FLCFLMRUDHSWOE-YRNVUSSQSA-N 437.442 4.565 30 10 IJEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1[N+](=O)[O-] 1874692714 UMEXNCYDUADQPI-CSKARUKUSA-N 448.387 4.627 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)CC(C)(C)C 1875085093 OUXVLCLCRQFCCH-MDZDMXLPSA-N 427.453 4.850 30 10 IJEE O=C(Cc1ccc(F)c(C(F)(F)F)c1)NCC#CCOc1cccc(C(F)(F)F)c1 1891023559 CSLKFPVSNIZAFG-UHFFFAOYSA-N 433.323 4.604 30 10 IJEE CCN[C@H](C#Cc1nc(CC)cs1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 1900962264 MRNGVCUDNPEIFT-OAQYLSRUSA-N 427.614 4.863 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1949108845 GVUQBTOSHJCLGH-YLEKAMJDSA-N 431.508 4.859 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCC1 1985179134 FXNDPARTYWAYNY-MHECFPHRSA-N 445.563 4.892 30 10 IJEE N#Cc1ccc(Br)cc1N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2044065893 IKHOAGUHBCQOHA-MAODMQOUSA-N 440.341 4.922 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(F)c2F)C2(C)CC2)c(I)c1C#N 2079854350 JLLYXLNFUGIISI-MRXNPFEDSA-N 441.263 4.898 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(-c2c(F)cccc2C(F)(F)F)c1Br 2080192295 VGTRRAPOFGSXMA-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(CNc2cc(Br)cc(F)c2C#N)CC1 2107442417 IWZSSKCMNYUTLA-UHFFFAOYSA-N 430.293 4.611 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)CN1c1cc(Br)cc(F)c1C#N 2118156303 JNEQTPMULOFDMA-STQMWFEESA-N 426.330 4.542 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)c1ccc(C#N)c(Br)c1F 2118196940 OLLWDALEZZVBPN-UHFFFAOYSA-N 428.346 4.980 30 10 IJEE C=CC[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2142284479 CTWHTUAKJVOKJM-GFCCVEGCSA-N 434.115 4.625 30 10 IJEE CC(C)(C)OC(=O)N1CCCC12CCC(Nc1cc(Br)cnc1C#N)CC2 2167910812 XUCVQLKWXROAAL-UHFFFAOYSA-N 435.366 4.840 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCCC[C@H]1CN(Cc1ccc(Br)cc1C#N)C2 2174629236 FGNWHIHTFKWWHA-LAUBAEHRSA-N 434.378 4.590 30 10 IJEE CC1(C)CC[C@@H](C(=O)Nc2ccc(Br)cc2C#N)N(C(=O)OC(C)(C)C)C1 2181104879 FIAHMRJYKPSUEX-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2ccc(C#N)cc2Br)CC1 2181136012 GQYNMVPJWNXVGD-UHFFFAOYSA-N 436.350 4.590 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1CC#N 2210488797 ZRAMBYFVWVVRFF-MHPIHPPYSA-N 445.563 4.844 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)C#Cc1cccc(Cl)c1 2212454249 FVVJGTAECHVIND-OAQYLSRUSA-N 427.928 4.761 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(O)C#Cc2ccccc2Br)C1 2235716273 MLFJRJHXQTVAEK-FGZHOGPDSA-N 434.374 4.733 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CCC1CN(C(=O)OC(C)(C)C)C1 2235729688 UFCVOEYEIJCMMS-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@](C)(NC(=O)OC(C)(C)C)C(F)F 2235747968 UYUOOIZALIRBIL-UZLBHIALSA-N 445.348 4.717 30 10 IJEE CCN[C@@H](CC#CC1CC1)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237400712 QBDBXGLHBAIXMH-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1cc(C)ccc1I 2240955225 VDNCFXVRZIGYNJ-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE C=C([C@@H](NCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)C(F)(F)F 2243708724 ONYJBFWKEHIGIP-GOSISDBHSA-N 428.495 4.537 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(C[C@H]1CCCCN1C(=O)OC(C)(C)C)OCC(=O)O 2262198885 CSCGBAABRKCTJX-PXDATVDWSA-N 447.572 4.799 30 10 IJEE Cc1ccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1CNC(=O)OC(C)(C)C 2267569618 YQTBZZYEAYNDSE-MAEOIBBWSA-N 444.381 4.831 30 10 IJEE N[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 2278816046 NQLNWZGUZZFLHT-PKTZIBPZSA-N 449.348 4.796 30 10 IJEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 2296124763 TVKSCAWUSKTCBO-QGZVFWFLSA-N 440.710 4.715 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](O)C#Cc3ccc(Br)cc3)CCC[C@@H]12 2296276654 KIQCSPIPPQXYJL-WOIUINJBSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(F)(F)F)C(C)(C)[C@@H](N)C#Cc1ccc(Br)cc1 2296296311 MIKPNYFVYVJPOS-LSDHHAIUSA-N 449.311 4.610 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C1CCC1 2296297933 DXAHYQIOKIQDRX-UXHICEINSA-N 435.406 4.862 30 10 IJEE CCc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(OC)cc4)ccc3C2=O)cc1 2296604232 OJIKYZMPJHSAPH-UHFFFAOYSA-N 436.485 4.642 30 10 IJEE C=CCN=CC1=C(Sc2ccccc2)C2=C(CC1)[C@@H](C(=O)OCC)[C@H](NC(C)=O)S2 2297499049 YHDZICAALBNHPU-DENIHFKCSA-N 442.606 4.726 30 10 IJEE CCCOc1cccc([C@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 2297740484 YQRGWDXYTJCPNT-DEOSSOPVSA-N 442.515 4.801 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]21 2305321931 IAWDRPIWHHSHCK-STWLZBDKSA-N 428.573 4.698 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2306614521 GLBFJBPHNIKHDW-CJFMBICVSA-N 430.589 4.944 30 10 IJEE CC(C)(C)OC(=O)NC1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2317348439 NHYJMBXCUXBNFE-SDNWHVSQSA-N 430.354 4.552 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C(C)(C)C)c1OCc1cccc(Cl)c1 2321908596 OJRMEYSKJPVUFV-UHFFFAOYSA-N 430.961 4.988 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2sccc2C)C4=O)cc1 2321985554 NXNMPNNNBHPSHB-UHFFFAOYSA-N 447.512 4.811 30 10 IJEE CCOc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3cccnc3)C4)C2=O)cc1 2322312074 FMZJOVHLOCBCRQ-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccccc2C)c1 2322378857 ZNTHQJOWXUDWPA-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1 2323097744 IATQKXYKCUUSPY-UHFFFAOYSA-N 444.940 4.630 30 10 IJEE CCOc1cc(C=NNc2nc(O)nnc2C(C)(C)C)ccc1OCc1cc(C)ccc1C 2323301964 FDSGSKICFDZRLG-UHFFFAOYSA-N 449.555 4.915 30 10 IJEE COc1cc(C=CC(=O)Oc2ccc3c(c2)OC(=Cc2ccco2)C3=O)cc(OC)c1OC 2323602133 FZCXHQTYLPGKMI-UHFFFAOYSA-N 448.427 4.540 30 10 IJEE CCOC(=O)[C@H]1CCCN(Cc2c(O)cc(C)c3c2OC(=Cc2ccc(CC)cc2)C3=O)C1 2324059253 KIOURGUOAGVWKE-FQEVSTJZSA-N 449.547 4.654 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1Cl)Nc1ccccc1 2324087566 AOIBIHLPPTZYAY-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3cc(OCC(=O)NC4CCCCC4)ccc3C2=O)cc1 2325327288 RTOPGWJNPNUSDW-UHFFFAOYSA-N 448.563 4.977 30 10 IJEE CC(C)(C)c1ccc(C=CC(=O)C(=O)Nc2ccc(I)cc2)cc1 2325502722 PLGFWVAZAZZHSK-UHFFFAOYSA-N 433.289 4.810 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4c(F)cccc4F)c3C)C2=O)o1 2325512809 XKFQEIAUDDHETI-UHFFFAOYSA-N 425.387 4.808 30 10 IJEE CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1c(Cl)cccc1Cl 2327849710 QZAHAULFFAGLAM-LBPRGKRZSA-N 440.400 4.694 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccc(O)cc2)CC1 2328179256 IRXBBPUMOOMTMW-UHFFFAOYSA-N 430.574 4.595 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccc(O)cc2O)CC1 2328195039 WYKDIZCZPRSQTK-UHFFFAOYSA-N 432.590 4.510 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)cc1 2328563773 TWAZUKBODSFQDV-UHFFFAOYSA-N 447.539 4.976 30 10 IJEE Oc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccc(F)cc1 2329162356 BLGZXBKKRJLQQL-UHFFFAOYSA-N 448.523 4.919 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)COc1ccccc1 2331445349 LISMIDBLRXRBNK-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2331529225 PYVNFTSGSHJWDB-UHFFFAOYSA-N 449.390 4.775 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(SCCCO)nnc2C2CCC2)cc1OC 2331541536 ZLUIMQTYZJLIAN-UHFFFAOYSA-N 446.617 4.870 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc(OC)c1OC(=O)CCOC 2331630646 XHDUNYWIMZTAIV-UHFFFAOYSA-N 438.520 4.887 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1ccc(Cl)cc1 2331637672 BZUICSCZUZWQCQ-UHFFFAOYSA-N 427.961 4.805 30 10 IJEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCCC3)cc2)cc1 2332187608 UYBBXADQFQAJPE-UHFFFAOYSA-N 440.551 4.905 30 10 IJEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(C(F)(F)F)cc2)cc1 2332187610 VADLBDZGPJJBBX-UHFFFAOYSA-N 425.414 4.933 30 10 IJEE CCCCCCC[C@@H](Cc1ccc(I)c(Br)c1)NN 2349841238 IASUGMWZLHYXBY-ZDUSSCGKSA-N 439.179 4.789 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2352422784 ZEUFPWCQIUQGDW-SFHVURJKSA-N 443.397 4.608 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@H](O)C#Cc1ccc(Br)cc1 2363484569 UEEXPLFBMUTXEK-RTBURBONSA-N 436.390 4.977 30 10 IJEE CN[C@@H](C#Cc1cccs1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2363628371 ZGGXKCSTGNEHRW-OALUTQOASA-N 449.414 4.586 30 10 IJEE CN(C)c1cc[n+](/C(C(=O)c2ccc(F)cc2F)=C(/S)Nc2ccc(F)cc2)cc1 10829291 NVGGQQSRHCXGRJ-UHFFFAOYSA-O 430.475 4.508 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N/c1cccc(C(F)(F)F)c1 33676870 GUMCALFQKSORJJ-ZLNYZARCSA-N 441.862 4.949 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)c1 41655014 WBQXLCDVHVLDLK-QRVIBDJDSA-N 449.528 4.776 30 10 IJEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)Oc1ccccc1 59832623 LKQKJNRHVDMIOC-UHFFFAOYSA-N 430.533 4.927 30 10 IJEE C=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 66062494 WZAIQPQIKSTQJA-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE C=CCn1nc(SCC(=O)Nc2cccc(F)c2)nc1-c1ccc(Br)cc1 72261691 WUNQZTYBBLLMII-UHFFFAOYSA-N 447.333 4.764 30 10 IJEE CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC[C@@H](O)CO 95866544 DUUKZBGYNMHUHO-GOTSBHOMSA-N 432.642 4.522 30 10 IJEE CCCCCCCN1C(=S)N(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 104717938 BHBTXLBHKLENOW-QFIPXVFZSA-N 437.609 4.984 30 10 IJEE C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 108093175 FJIOJIYEKHKADU-GOSISDBHSA-N 449.938 4.903 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)ccc2C)=C(O)C(=O)N1CCCOC(C)C 169948367 RQDQNOWBWMXDMO-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccn2)s1 169999280 VFZRFSJEHCPBMJ-KRWDZBQOSA-N 448.529 4.548 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@@H]2c2cccnc2)cc1 170012737 INCWXNZSCZQLLR-XMMPIXPASA-N 442.515 4.876 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2)cc1 170028599 WUAJVQFWDYHERQ-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170038973 GWDOVJQTIHAEKX-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(O)c2)cc1 170080412 VMBSWMGZFWJKIQ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cn(C)c3ccccc23)cc1 170084562 JFEPBEXYDVXSSR-QHCPKHFHSA-N 442.471 4.558 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccco2)c1 170089732 ZHGGJQMYVAIYNV-OAQYLSRUSA-N 448.431 4.760 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 170131701 PNFFZQLJNUANFO-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143269 DXUDMSVXWZECHV-LADGPHEKSA-N 431.532 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170178493 UJOPJNSFOHWGQC-NRFANRHFSA-N 445.862 4.655 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2cccnc2)cc1 170189696 MBEDCUNQMXQVQH-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)o2)c1 170304620 OKIQCTYYYAQFCN-IQMFZBJNSA-N 445.471 4.708 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCC(=O)c3cccs3)cc(C)c2c1 170508832 MDDVHJZGWIHSBF-UHFFFAOYSA-N 443.532 4.881 30 10 IJEE COc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)c3ccccc3OC)c(OC)c1)C2=O 210085177 WETAVKNOLDRZCI-YDZHTSKRSA-N 432.428 4.548 30 10 IJEE Nn1c(N/N=C(\c2ccccc2)c2cccs2)nnc1SCc1ccc(Cl)cc1 253565994 IKSFZZKUIMLXDS-PTGBLXJZSA-N 440.985 4.864 30 10 IJEE Cc1nnc(NN=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)nc1O 254489211 BZIMHBYYVSXXPK-XMMPIXPASA-N 449.518 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C#N)c2ccc(I)cc2)C1 309985075 XCJPLJRACCMKPZ-HOCLYGCPSA-N 426.298 4.545 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 407490525 AEMAAJVCELXSBC-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 476128098 CDLGIESBAUBAPR-FQEVSTJZSA-N 426.582 4.578 30 10 IJEE CC1(C#N)CCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 506030607 HUJMMDAMEPDVGQ-UHFFFAOYSA-N 444.457 4.522 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(=O)OC(C)(C)C)CC1 508845654 OVEQMDHDLJRBOM-UHFFFAOYSA-N 436.478 4.708 30 10 IJEE C=CCn1c(N2C[C@H](c3ccccc3)O[C@H](C)C2)nnc1C(F)(F)Oc1ccccc1 508998689 NYEYYQTYCIHQQP-YLJYHZDGSA-N 426.467 4.559 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cccc(Br)c1 512064321 NNWZQZFEZVMVNW-UHFFFAOYSA-N 428.355 4.792 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(O)c2)ccc1OC 526604511 NMZZZTOOULUSCH-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccccc1OCC 526826951 MKAFHJIJGQHWAR-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)cc1C#N 539870719 LVNPPFNEYCMXAO-KRWDZBQOSA-N 445.494 4.967 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 549327396 OPNQUAWXYILZIG-IBGZPJMESA-N 448.596 4.725 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 554618574 UINQGRVGEMYCDU-QFIPXVFZSA-N 429.524 4.685 30 10 IJEE Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 556386446 FPCWVWZQQOCSLP-HSZRJFAPSA-N 447.922 4.533 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(N(C)C)cc2)cc1 586257272 YKOBRNUWPNZAPQ-UHFFFAOYSA-N 449.576 4.807 30 10 IJEE N#Cc1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2c(c1-c1ccco1)CCC2 603818387 GQBUNWLPGOJVRB-UHFFFAOYSA-N 433.537 4.744 30 10 IJEE Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)o1 615385762 RWNNFNOIBQNIGI-HRAATJIYSA-N 444.491 4.585 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/Oc2c(ccc3c2[C@@H](CC(C)C)CC(=O)O3)C1=O 725389245 MPKONUVXASHGLN-LKKXKRCMSA-N 438.476 4.767 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1C 733202774 XEPFJYQJVKRVSS-JOCHJYFZSA-N 433.577 4.904 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1csc(COc2ccc(F)cc2)n1 735337908 VHECNABQOIXVDX-UHFFFAOYSA-N 432.860 4.774 30 10 IJEE CC(C)(C)Oc1ccccc1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740502292 FWIXANLGGREIRD-UHFFFAOYSA-N 433.533 4.719 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(Br)cn1C(C)C 744027884 CCULEOKDMXZQOV-QGZVFWFLSA-N 430.346 4.917 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)[C@H](Oc1ccccc1C#N)C(C)C 744838552 BXMGIZTUPBVCLH-YCRPNKLZSA-N 444.915 4.503 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@H](c3ccccc3)C2)c1=S 764874783 AYQUIOUWWXDRSI-QFIPXVFZSA-N 436.581 4.519 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1nn(-c2ccccc2Cl)cc1C 766622473 IHDIPUYTNMFEDG-SFHVURJKSA-N 434.927 4.920 30 10 IJEE Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=NN[C@@H](CO)c1ccccc1 788455305 LBCWCBFXADLNKP-DEOSSOPVSA-N 430.483 4.769 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cc1 789747623 JFZTVBYRTGKSCO-UHFFFAOYSA-N 433.552 4.891 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(-c3nnc(CC)o3)c2)CCCN1C(=O)OC(C)(C)C 790700119 ZQSNYZIVCGURTI-QHCPKHFHSA-N 426.517 4.583 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])SC1=Nc1ccccc1Cl 799218558 HTGGASWTGRHKAW-QGZVFWFLSA-N 446.916 4.537 30 10 IJEE C=CCOCCn1c(-c2ccncc2Cl)csc1=Nc1cccc(NC(C)=O)c1 803180252 RIHIGNMSWFYCLS-UHFFFAOYSA-N 428.945 4.658 30 10 IJEE Cc1ccccc1NC(=O)CCSc1n[nH]c(NN=Cc2c(O)ccc3ccccc23)n1 1084222016 AFOMYXUMQSYJTF-UHFFFAOYSA-N 446.536 4.539 30 10 IJEE NC(=S)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1084456229 JMOZDLDIWUMJBH-UHFFFAOYSA-N 441.516 4.887 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1)Nc1cccc(Cl)c1Cl 1084524046 ZABMPLCAIJYOGB-MPJFWOGISA-N 447.351 4.953 30 10 IJEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3cc(Cl)ccc3C)n[nH]2)cc1 1084653377 NFTQBAINURSYGM-UHFFFAOYSA-N 428.949 4.642 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](c3ccc(F)c(Cl)c3)C(F)(F)F)C2)c(F)c1 1128385494 BAJCRXMTOPEANY-UGSOOPFHSA-N 443.803 4.736 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)OCc3cc(Cl)cc(Br)c3)C2)c(F)c1 1129721332 BOUWUNHESNWHPQ-CQSZACIVSA-N 437.696 4.683 30 10 IJEE C=CC1(CC(=O)NCc2ccccc2SC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1158811859 DHUMIMWVABPKSI-UHFFFAOYSA-N 430.492 4.728 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)cc1 1160701167 VFWUQSJFNCKQON-UHFFFAOYSA-N 430.689 4.757 30 10 IJEE C=CCN(CC=C)[C@H](CNCc1cc(Cl)ccc1I)C(C)C 1177222352 IEOCSXMDTDGMKY-GOSISDBHSA-N 432.777 4.733 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cccc2c(C(=O)OC)cccc12)c1ccc(F)c(F)c1 1189413299 UCIPFPOCHOGFLE-OAQYLSRUSA-N 431.460 4.500 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCCN(C4CCCCC4)C3=O)c2)cc1 1200153721 HCEHLZZHAFYJDY-HSZRJFAPSA-N 432.524 4.796 30 10 IJEE C#CCN(C(=O)Nc1ccc(F)cc1OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1202124353 OBFUZEIMUBRNMR-UHFFFAOYSA-N 447.551 4.870 30 10 IJEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@](C)(Cc2ccccc2)c2ccccc2)cc1 1203384037 CHJCMISGUFNADQ-DFBJGRDBSA-N 447.560 4.652 30 10 IJEE COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1218507062 CHPXBUZWRZZUDN-CQSZACIVSA-N 432.977 4.980 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccccc1 1220692842 FBHUBYXLHGTTSJ-HOYKHHGWSA-N 429.495 4.742 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@H]2CC2(O)CCCCC2)cc(OC)c1OC 1221553344 DDRIQTWHZPMJJW-NRFANRHFSA-N 430.589 4.582 30 10 IJEE C=CCN1CCC(NC(=O)N(C)[C@@H](c2ccccc2)c2ccccc2Br)CC1 1226843621 PXRZBTYXCMBLBA-QFIPXVFZSA-N 442.401 4.830 30 10 IJEE C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1227349679 WZVZWPILIRGCCW-RGZWJVDOSA-N 429.561 4.544 30 10 IJEE C#C[C@@H](NC(=O)N1CCOc2ccc(Br)cc2C1)c1ccc(Cl)cc1F 1252478723 FGWMAHXTAHVTTE-QGZVFWFLSA-N 437.696 4.520 30 10 IJEE C#CCOc1cccc(OC(=O)c2c(-c3ccc(Br)cc3)noc2CC)c1 1265014959 WVKJLZINUWLOCG-UHFFFAOYSA-N 426.266 4.898 30 10 IJEE C=CCSCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1268878980 JGAAYAMRSNDDPF-UHFFFAOYSA-N 442.382 4.951 30 10 IJEE N#Cc1ccc(CCNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)cc1 1279004675 AEAXLEACPACCGD-UHFFFAOYSA-N 449.436 4.526 30 10 IJEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286318902 SAHUEJARFLBRHY-OAQYLSRUSA-N 437.588 4.584 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CCCc1ccnc(C(C)(C)C)n1 1286436398 GZCWGPLCRJZCEZ-UHFFFAOYSA-N 436.991 4.778 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC(C)(C)C 1286445448 KSSUJONYEIJSJK-IBGZPJMESA-N 431.625 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCCCc1nc(C)cs1 1286528221 RTFYXQWYDMIFIB-RUZDIDTESA-N 449.624 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OC(C)(C)C)CC1 1286554988 ZWKYNTUYMFRNLY-NQIIRXRSSA-N 428.577 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)Cc1cnc(C)s1 1286558953 SDOBKSFXVUCXBI-OFNKIYASSA-N 437.613 4.560 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1286598890 GJPGMQVYQTYMOJ-YPAWHYETSA-N 426.605 4.641 30 10 IJEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1286626707 GQVPHKXHZFCYNI-UHFFFAOYSA-N 426.933 4.657 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](CC)N2CCCC2)CC1 1286638433 BGSFYFYBUPNNMB-LJQANCHMSA-N 431.531 4.577 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1286705580 ANVDCVFXCWEYEL-OXJNMPFZSA-N 436.959 4.755 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1Cc1ccnc(SC)c1)C1CC1 1286739438 CPCGJSOZHYNMFJ-UHFFFAOYSA-N 435.597 4.794 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1c(C)noc1C 1286747499 NDTHBSLWASYCMB-NRFANRHFSA-N 425.508 4.505 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1)C(C)C 1286751321 OYXOPJIEFJZFAS-TZBSWOFLSA-N 446.643 4.998 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 1286801016 VCESGOFCVQOGQV-XAPVIXHLSA-N 443.661 4.718 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286827641 VSVLKTKEEBTXED-NRFANRHFSA-N 436.025 4.554 30 10 IJEE CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1OCC(F)(F)F 1286996196 IBOGGGVWLCMCPF-UHFFFAOYSA-N 435.494 4.695 30 10 IJEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1300380593 CRURDGBGZULGLN-SFHVURJKSA-N 442.007 4.680 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOC(F)(F)F 1300444250 WYWJJGBRVJTMRL-UHFFFAOYSA-N 438.450 4.809 30 10 IJEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1300545205 LBJWJHFKQAGNSF-OAQYLSRUSA-N 432.465 4.705 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOCC)CC1 1300606143 GRKJUAFPAKBVGH-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC1(COC)CCCC1 1300618952 PJBHYNOUSZPZHS-UHFFFAOYSA-N 433.556 4.657 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C=C)CC1 1300743545 UQLVGJHMGGDBIL-UHFFFAOYSA-N 449.393 4.616 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1300743621 WCBNZPANFATRGX-GAJHUEQPSA-N 439.654 4.628 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](COC)C1 1300876684 RZCUJYRKHNXUQW-RRPUWOKSSA-N 438.616 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1301137910 YIFMQZWKVUMTST-PMOLBWCYSA-N 442.007 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1301140918 GSVYIJYWQKXCSQ-AZUAARDMSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@H]21 1301147879 IIAXXSJNPUZXJT-VQTJNVASSA-N 443.636 4.984 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccoc1 1301241086 NAJCTXWCVMHYHF-KRWDZBQOSA-N 426.586 4.954 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1(CC)CCOCC1)C1CC1 1301331484 LYQHELFOROFGCL-UHFFFAOYSA-N 430.980 4.872 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1309993355 BBYROLWVAXXWHL-VQIMIIECSA-N 440.009 4.771 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)c1cc(F)c(Br)cc1F)C(C)C 1311389308 REEBBSFQDWEWLI-AUUYWEPGSA-N 444.364 4.786 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1356505863 BDGSGHXKJXVSDA-QGZVFWFLSA-N 430.595 4.638 30 10 IJEE C#CCN(C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)C1CCCCC1 1357292113 YSMUJLLTYMGIOI-UHFFFAOYSA-N 433.577 4.618 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(C)CCCCc1ccccc1 1359081228 UDFLSLTWSCOUTE-UHFFFAOYSA-N 428.378 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1359095317 NFIUMFGHRBAFHW-AVRDEDQJSA-N 442.579 4.849 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359121712 FLGVVZMEZPAHQY-KOSHJBKYSA-N 429.609 4.738 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](OC)C(C)C)CC1 1359169094 UGBWDSWDZPZRRL-IBGZPJMESA-N 439.387 4.991 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)CC1CCOCC1)c1ccccc1 1359194473 VUZPCFMTDAUOTQ-HSZRJFAPSA-N 431.584 4.871 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1C(C)(C)C)c1ccccc1 1359195914 UHLUPKLOKYULLP-DHIUTWEWSA-N 447.631 4.985 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1359200961 XSAFQLXDKHNGCX-UYAOXDASSA-N 425.577 4.651 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1359217846 OVUDIAOTKNYVIZ-OAQYLSRUSA-N 439.604 4.589 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1359267079 USLGIIQHBLIBBR-WKCHPHFGSA-N 437.588 4.529 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCS[C@H](C(C)C)C1 1359285687 BSEKKVJHAXRTTA-NRFANRHFSA-N 430.618 4.896 30 10 IJEE CC(C)(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CSCCS1 1359524225 CRMWDHPQCLTAQR-HXUWFJFHSA-N 441.670 4.756 30 10 IJEE CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(F)(F)c1c(F)cccc1F 1435063972 GKQRPLWCJXZGKD-UHFFFAOYSA-N 436.371 4.666 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccn(-c2ccc(F)cc2F)n1 1436641092 AIYPAXXKHFUKMR-UHFFFAOYSA-N 434.240 4.730 30 10 IJEE CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(Cl)cc1Cl 1436647794 CUKYVCBXMBCBBU-MELADBBJSA-N 447.384 4.699 30 10 IJEE C=CCSc1ccccc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 1440973237 VZUAVPZONPWADL-HKWRFOASSA-N 438.574 4.739 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1OC 1441344209 UULDDRDEJLFBJH-RSNBEDGSSA-N 440.971 4.880 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN(C)Cc2ccccc2)CC1 1443113453 YCODADMKCSRUCN-HSZRJFAPSA-N 443.632 4.607 30 10 IJEE C#CCN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1455812556 WXOLPGCXFQEEEM-RPWUZVMVSA-N 432.564 4.805 30 10 IJEE COc1ccc(-c2nc(SCc3ccc(-c4ncco4)cc3F)nc(O)c2C#N)cc1 1458830156 RVNUGOZQNNNFRD-UHFFFAOYSA-N 434.452 4.816 30 10 IJEE N#Cc1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1Cl 1459733185 FCFUANHTVRQRPA-UHFFFAOYSA-N 437.858 4.725 30 10 IJEE C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(OC(F)(F)F)cc1 1463652885 HWHUXDCWWBWDMF-SECBINFHSA-N 431.329 4.783 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)c1ccc(Cl)cc1F 1463687578 ZKUDFIMOKSCPMX-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 1465781150 INLIRBULGJPZBI-SFHVURJKSA-N 446.320 4.709 30 10 IJEE N#Cc1sc(NC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)nc1Cl 1466806044 GQVFAESUOABFPE-GFCCVEGCSA-N 440.754 4.539 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cc(OC)c1OC 1468360853 BALGPTKPAHCXDA-FQEVSTJZSA-N 444.959 4.839 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1)c1ccccc1 1471203783 PNNIWXBQIDGWPL-XZOQPEGZSA-N 426.582 4.655 30 10 IJEE C#CCC1(NCc2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)CCC1 1474276759 KDADFOXIVZJPKR-UHFFFAOYSA-N 446.469 4.767 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2sccc2Cl)c1 1474779683 AEZYEOPVHFXDRB-UHFFFAOYSA-N 434.922 4.965 30 10 IJEE CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 1476606721 HJTBOSQMEJEPGO-SFHVURJKSA-N 436.581 4.870 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1CCCO1 1478480045 ZVLXPGQZXZPICE-GOTSBHOMSA-N 448.954 4.515 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](c1ccco1)N1CCCCC1 1492557315 GODGZNIEXDBHJT-KNQAVFIVSA-N 432.572 4.670 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCC(F)(F)C1 1507621510 VDEKNFYNLLZBFL-QGZVFWFLSA-N 436.934 4.756 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN1CCC 1507701321 DAAFCDUZTQTVRU-QHCPKHFHSA-N 439.623 4.910 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C=C)CC1 1507746686 SLDDDPTXHAYEMG-KRWDZBQOSA-N 431.005 4.840 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(F)(F)C1 1507838671 VNBFQUMLDOPYHZ-UHFFFAOYSA-N 444.482 4.555 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCSC(F)(F)F)CC1 1507909795 SORSRHRYCHZIRI-HZPDHXFCSA-N 432.556 4.852 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@H]1OC 1508012432 WGJUDIHBOAQXAD-HNAYVOBHSA-N 449.368 4.840 30 10 IJEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCC(F)(F)F)CC1CC1 1512106270 GNGULIHTSFQSMT-OPAMFIHVSA-N 447.505 4.537 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(CC#N)c1)c1ccc2c(c1)OCO2 1523443887 VUFPKADYKXUAPK-UHFFFAOYSA-N 426.472 4.893 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2cccc(OC)c2)cn1)c1ccc(Br)cc1 1525055248 ZSKGFNXOFSPNQK-FQEVSTJZSA-N 437.293 4.749 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(Br)cc(C(=O)OC)c2)C(F)(F)F)cc1 1525856313 MJQAAXPSJGQMTE-INIZCTEOSA-N 441.199 4.677 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)C1 1530084184 NYTKBSLRUVAHIM-WMQCIHAUSA-N 430.976 4.552 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)cc1OC 1530652040 OPUREMZXLVWFIG-AJUIJNLASA-N 434.580 4.783 30 10 IJEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NCCCC)c1 1530945256 SAMBJGWEYHTAQW-UHFFFAOYSA-N 440.487 4.617 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4ccccc4C)c3C(F)(F)F)cc2n1 1538314114 AWXMUEGEPWIEAT-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1538889966 HNPDZJKHBRHCIY-OTWHNJEPSA-N 426.479 4.875 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)C1CCN(CC(F)F)CC1 1538977481 CRDHEHZITMMCOK-UHFFFAOYSA-N 432.405 4.978 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1539002062 PDDIBULWEJGHAU-SFYKDHMMSA-N 433.600 4.736 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1539097048 AGVLZKOGNPGGQD-IBGZPJMESA-N 435.597 4.770 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CCC(OC)CC1 1539245261 CMMBDVALHDQPFU-UHFFFAOYSA-N 436.625 4.554 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)CC[C@H]1C 1539580199 HURAKZIEWWDDMD-GOEBONIOSA-N 441.377 4.869 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1539622849 YFQIYIWHSNIXLV-OXQOHEQNSA-N 449.382 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCC[C@@H]1C 1539654869 GUJPSGHGRNMFSB-HRAATJIYSA-N 433.394 4.661 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539902865 OXQUDXVOTOWPAI-NJYVYQBISA-N 431.669 4.720 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1Cc1nnc(C(C)(C)C)s1 1540136738 KFGDYKNHKGNGHC-UHFFFAOYSA-N 426.565 4.685 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1nnc(CC)s1 1540139518 HNFXNHYUATZQMX-UHFFFAOYSA-N 440.592 4.805 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1c(C)nn(C)c1C 1540147951 XQEIFCDMLYODCD-UHFFFAOYSA-N 446.624 4.830 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@H]1CCCCO1 1540153532 HRDWPBRBCIDPLX-QGZVFWFLSA-N 434.382 4.563 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCC(C)(C)C)C1 1540889082 DVQBRNLNMKXNMZ-JOCHJYFZSA-N 434.588 4.738 30 10 IJEE C=CC1(CC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CN(C(=O)OC(C)(C)C)C1 1540954240 XGBBTJIERBUKDI-UHFFFAOYSA-N 439.531 4.736 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(OCC)ccc2Cl)nnc1-c1ccco1 1543927560 VMHPAIQJNQVDIR-UHFFFAOYSA-N 432.933 4.897 30 10 IJEE CCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1CCc1nc2c(s1)CCCC2 1547395117 FBXAMMXGGQMOOV-UHFFFAOYSA-N 434.613 4.877 30 10 IJEE C=C(C)[C@H](NCC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccc(F)c(F)c1 1559766535 JYRCTRVRQGVANK-SANMLTNESA-N 441.566 4.639 30 10 IJEE C=C(C)[C@@H](NC[C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)c1ccc(F)c(F)c1 1560764393 JHNICAKCXDQPEK-HTAPYJJXSA-N 448.558 4.597 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1564031618 ZXOORBKJQHKZOL-ZFGGDYGUSA-N 438.593 4.689 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2cccc(F)c2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1564543294 DGMSQPGPBAZLNT-FQEVSTJZSA-N 442.538 4.953 30 10 IJEE C#C[C@H](NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1)c1ccc(F)cc1 1564995651 DPCCMBUJKQZCJH-NRFANRHFSA-N 445.332 4.653 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2C)c1CC 1568507662 FZAGTHQKOVAGNW-INIZCTEOSA-N 432.952 4.718 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 1568575784 MVTHTJDKOKVBEZ-MRXNPFEDSA-N 425.356 4.796 30 10 IJEE C=CCONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 1569147874 QHWZXWJFRMEOBN-UHFFFAOYSA-N 449.363 4.626 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cncc(C(=O)OC(C)(C)C)c2)s1 1586112008 OMPILWQGESERSN-UHFFFAOYSA-N 439.990 4.828 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1587705338 BHQZRRLSVMQNJC-YADARESESA-N 428.552 4.756 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ncc(CC)s1 1587813972 ZXAGOTSTJBNMNU-UHFFFAOYSA-N 430.581 4.870 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1588298017 QCQBECZNQDICJM-SZPZYZBQSA-N 444.627 4.711 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CCC1 1589109991 MOTDEKZKPBLOEY-UHFFFAOYSA-N 426.630 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCSC(F)(F)F 1589233880 LXPIEKVITZLGHO-HXUWFJFHSA-N 433.503 4.526 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1594408200 FTCFUMJQUAVGRX-XMMPIXPASA-N 443.680 4.550 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1594477386 CMYAFRNVWNOTKV-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1594533327 BRBNPURERNCVPU-ROUUACIJSA-N 430.597 4.691 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1594559883 SNSSXEYYKSNNCN-BWKNWUBXSA-N 439.604 4.559 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](CC)C1 1594591519 YUUPLZQXNFOOCX-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)SC)C1 1595674477 QDRYQAAIZKNGEN-TXPKVOOTSA-N 437.009 4.604 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1595884082 HFKZSRIUSFVHJG-GOSISDBHSA-N 428.602 4.856 30 10 IJEE C[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)Oc1cccc(Br)c1 1612054791 GZHTUPOKSNOPNC-CQSZACIVSA-N 425.286 4.782 30 10 IJEE CCc1cnc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)s1 1613832645 CCHVYTPQROEQPD-JKSUJKDBSA-N 442.564 4.557 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC#N)c1ccsc1 1615369732 AFASOTWWSOWOCA-RXVVDRJESA-N 437.617 4.532 30 10 IJEE C#CCN(C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)C(C)C 1617264131 SINXDOXBKZDZDI-UHFFFAOYSA-N 443.391 4.882 30 10 IJEE C#CCN(CC(=O)Nc1cccc(Oc2ccnc3ccccc23)c1)C(=O)OC(C)(C)C 1617446204 DVHSTBCGPWFTEP-UHFFFAOYSA-N 431.492 4.836 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 1623452209 MVTDGELSZNFDDK-QGZVFWFLSA-N 432.952 4.772 30 10 IJEE N#CC[C@H](CC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1)c1ccccc1 1627049604 CVZMDEUNFRCGON-JPYJTQIMSA-N 449.352 4.734 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)c1ccccc1 1633305886 LINYBMXMEQOXIQ-ZBFHGGJFSA-N 435.387 4.843 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 1638134953 QMWAQZXUFCMXKC-KKXDTOCCSA-N 448.407 4.999 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@H](C)Cc2ccccc2)CC1 1638135103 WOHNFGLRLPVRBT-LXRCUPKFSA-N 434.580 4.563 30 10 IJEE C#CC[C@H]1CCCN(C(=O)CCN(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1638874955 XMQBVOSBYYLZPR-FQEVSTJZSA-N 430.548 4.519 30 10 IJEE Cn1c(O)nc2ncc(-c3cccc(C(=O)NC4(C#N)CCC(C(C)(C)C)CC4)c3)cc21 1639171015 RKXPJYILDOSOOX-UHFFFAOYSA-N 431.540 4.569 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccccc1OCC(F)(F)F 1643573037 ISQFMDOEXJSUET-UHFFFAOYSA-N 440.535 4.726 30 10 IJEE C=CCn1c(SC[C@@H]2CCNC(=O)CC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1652348791 CERVMXVWDISBBZ-INIZCTEOSA-N 439.606 4.628 30 10 IJEE COCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)c1cccc(C(F)(F)F)c1 1657110932 BUIXGHNCKSHZHW-CQSZACIVSA-N 439.865 4.879 30 10 IJEE CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCCN(Cc2ccccc2)C1 1658092725 DECDSOVMFKCGEB-QFIPXVFZSA-N 445.592 4.734 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1659398348 NDUHHLUJQYFULR-FQEVSTJZSA-N 429.586 4.901 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2COc3cc(F)cc(F)c32)cc1OC 1662199310 TYMRWTKEWCBZNZ-OAHLLOKOSA-N 426.257 4.524 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 1663321050 CWICJAKRNCSXGD-GOSISDBHSA-N 431.561 4.647 30 10 IJEE CC(=O)c1ccc(Br)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 1664275292 LIZBPSDVROFELC-UHFFFAOYSA-N 442.313 4.599 30 10 IJEE C=CCC1(NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CCCC1 1664483087 ZDLWIUUNGXDFQZ-UHFFFAOYSA-N 427.389 4.740 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1F 1667513972 CAUNYIXYQSKZDZ-QGZVFWFLSA-N 448.429 4.556 30 10 IJEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1667890640 AUPYLEXLLBNDKA-FUHWJXTLSA-N 436.512 4.720 30 10 IJEE C#CCN(C)CCCNC(=O)N(C)Cc1ccc(Oc2ccc(F)c(C)c2)cc1Cl 1673201480 ACVKNQQBYMKVHL-UHFFFAOYSA-N 431.939 4.676 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc2c1OCCCO2 1674013467 OSQILKNWANSNPS-UHFFFAOYSA-N 435.293 4.970 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(F)cc1 1674014923 MIGSRGMMRKAEES-IFMALSPDSA-N 443.563 4.569 30 10 IJEE C=C(C)COc1cccc(NC(=O)N(C)Cc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)c1 1674221400 IFUULOPSUFBBIL-OYRHEFFESA-N 437.584 4.915 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1)c1ccccc1 1680581812 XWRQUOGHHOXYKD-RTBURBONSA-N 427.570 4.835 30 10 IJEE C=CCCCCCCCNC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1681401989 JLWQIJDIAVVEPH-LJQANCHMSA-N 436.394 4.689 30 10 IJEE C#CC[C@@H](NC(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)c1ccccc1 1685763992 NOSVLTOPBVVARU-DHIUTWEWSA-N 433.552 4.585 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC1CCN(CC)CC1 1689839343 GBESRKAWPYFOSI-INIZCTEOSA-N 434.415 4.832 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC[C@H]1C 1690003359 LFYUWJTXVNJUSU-NQIIRXRSSA-N 429.593 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccco1)N1CCCCC1 1690262567 GDGCRSLVXWWRLC-QFIPXVFZSA-N 434.588 4.871 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCc1ccc(OC)cc1 1690276023 DNNPVQPJAWJYCK-UHFFFAOYSA-N 444.377 4.689 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(Cc1ccccc1)CC1CCOCC1 1690432797 LZVAKUDJCFZWPL-QHCPKHFHSA-N 438.616 4.818 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690464785 KKFGCEPLPONAHT-VQTJNVASSA-N 433.641 4.963 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690472406 MYNDRGWGWIPBPF-SJLPKXTDSA-N 440.523 4.599 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccnc(N2CCCCC2)c1 1690515696 RPGRVVQATOHSBX-QHCPKHFHSA-N 430.600 4.876 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@@](C)(CC)O1 1690607388 LLPHURHPRASNPP-SQJMNOBHSA-N 435.572 4.824 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C#N)CC1 1690736547 IOLVGTJWBITIFP-UHFFFAOYSA-N 446.418 4.675 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1690749984 WAZCJNWLTOCZAU-DEOSSOPVSA-N 439.629 4.665 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC1(COC)CCCC1 1705481675 KZLSRZFYIXEFFF-KRWDZBQOSA-N 432.515 4.601 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2cc(C)ccc21 1705533190 VFBZDESPQMBFEC-NRFANRHFSA-N 449.599 4.809 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CCC[C@@H]1C 1705605599 ORABFZIGBNQMGX-OYHNWAKOSA-N 428.989 4.824 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CSCCS1 1705617856 JYHQTTYQLWJAJJ-KRWDZBQOSA-N 439.075 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](OC)[C@@H](C)CC 1705669648 RXICXERTBYWRHI-QFMFQJCFSA-N 431.584 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1705694919 UMRDSYKEINFVCT-YRPNKDGESA-N 442.608 4.663 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705703317 MCNHRXYSBDWMOZ-JTHBVZDNSA-N 435.547 4.875 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705735363 OJNFFHYLTDRHAQ-JOCHJYFZSA-N 429.653 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1705790088 IWQUSAWKQJYODI-JOCHJYFZSA-N 432.616 4.976 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 1705828013 XZWJQFXATBDZTR-UHFFFAOYSA-N 443.473 4.785 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705948747 DPGYYVZXQYVGMM-HXUWFJFHSA-N 448.608 4.699 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCC(F)(F)CC1 1706743463 BCYTVCNKXILLTL-GFCCVEGCSA-N 441.324 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCc1cc(C(F)(F)F)ccn1 1722280921 YWGYSQFGLNHULJ-AWEZNQCLSA-N 433.865 4.713 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(Cl)c1 1722282777 RNQAZKGTADXLLU-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@H]1CCCCO1 1722391055 ZQIVVWSEDBVWIW-CTNGQTDRSA-N 436.625 4.554 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1C[C@H](F)C1 1722419705 BNZSJGDWWKVOLZ-HZCBDIJESA-N 449.574 4.577 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1722451963 QJYUZIUAOLFHMY-WAOWUJCRSA-N 428.577 4.693 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N(C)C[C@H]1CC=CCC1 1722490372 WGPSEBPHIRPBEJ-KRWDZBQOSA-N 447.377 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCN(C2CC2)C1 1722504230 GGPPYUPRNXJZIE-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCc2ccc(Cl)s2)CC1 1722569822 PLWKRISCWTVWFH-UHFFFAOYSA-N 444.988 4.980 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722581834 FLTUXFBISHWBBV-AUSIDOKSSA-N 442.991 4.894 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1722592300 WWBLADXKFFZVMK-UHFFFAOYSA-N 442.677 4.834 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)CC(C)(C)C1)c1ccccc1 1722593848 BMXDQRHLLVNKLO-UNMCSNQZSA-N 435.616 4.746 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CC1(N2CCSCC2)CCCC1 1722655281 APJMUCHJAYZZTG-UHFFFAOYSA-N 439.673 4.956 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCC1=CCCCC1 1722658250 BRVPXASLKMBGOV-UHFFFAOYSA-N 437.563 4.736 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCOC[C@H]1C 1722667726 IDADYPPPDYXIQK-OTWHNJEPSA-N 426.630 4.982 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1722670784 YMTNUKFZCKPAER-LJQANCHMSA-N 443.586 4.836 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ncccc1C 1722673894 ILGINLKGDXRMTM-FYYLOGMGSA-N 449.599 4.777 30 10 IJEE CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](c1cccs1)N(C)C 1723147422 CNUBRJBWFBDYKI-NRFANRHFSA-N 434.613 4.807 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(F)(F)F)cs1 1728461574 AOUUPMCDFSEIIZ-UHFFFAOYSA-N 446.502 4.967 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCCS1 1740557093 KSLRXBYAIJWNPE-VBKZILBWSA-N 439.412 4.908 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCSC1 1740559282 ZSOKUMQAFSYXHO-PMACEKPBSA-N 426.630 4.890 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(CC)(CC)OC 1740600433 LMLYINIMTIZCBU-GOSISDBHSA-N 432.996 4.963 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)Cc2ccc(SC)c(OC)c2)nnc1C(C)(C)C 1740766517 IKNKXYAMKCMTKJ-GHTZIAJQSA-N 444.645 4.924 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CCC 1740794630 FHXMKUGFCYJKHE-WOJBJXKFSA-N 449.640 4.610 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1740844627 OSRNSZXYTAGNSI-HXUWFJFHSA-N 446.599 4.509 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740852713 RZIMXNHBEJKIAH-GOSISDBHSA-N 438.494 4.535 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N(C)Cc1nc(O)c2sccc2n1 1740858941 CFHDNMYJOSHTBH-UHFFFAOYSA-N 438.532 4.787 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=C)C 1740936853 LOJMMXUOUMDYON-FQEVSTJZSA-N 441.576 4.754 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)(F)F 1741000961 YXWREGCMORPWEV-UHFFFAOYSA-N 437.491 4.908 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ncc(CC)s1 1748657572 FEAZHVSXOMAWNV-GOSISDBHSA-N 437.613 4.895 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1748872431 COKIJWXVMHPXCF-CUBQBAPOSA-N 444.623 4.911 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC(c2ncc(C)s2)CC1 1749232562 OVYWTPGKHZHMEW-UHFFFAOYSA-N 443.642 4.672 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1749309912 RNJYQYYMOXERQD-XUZZJYLKSA-N 438.616 4.824 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1749396660 CYNPXYXDLWSPHL-MOPGFXCFSA-N 444.649 4.609 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](C)CN1CCCC1 1749501842 INIICLPOHHTBLI-MRXNPFEDSA-N 438.403 4.518 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C 1749691145 ZLLKXQVIOWLXOE-UHFFFAOYSA-N 440.979 4.572 30 10 IJEE CC[C@@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCn1nc(C)cc1C 1752639668 BGQQWBMAWZTSOU-GOSISDBHSA-N 431.588 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1Cc1cscc1C(F)(F)F 1760123685 KCSLKGLFRLSJBO-HNNXBMFYSA-N 434.487 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](C)c1c(C)noc1C 1760298817 WFHFRECWLFDXLH-IQGLISFBSA-N 433.556 4.566 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)OC 1760320804 ZZOWPSMSHYOHML-JXFKEZNVSA-N 428.533 4.792 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1760362247 DYNGIZFZRYPCTK-UHFFFAOYSA-N 434.931 4.948 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1760401761 BRVAWVDWIDYJOE-HKUYNNGSSA-N 430.543 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1760407450 DRFZFBYHFNQPGA-FPOVZHCZSA-N 444.583 4.910 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1760442862 WDAWCCDZBKQUTP-QZTJIDSGSA-N 431.378 4.821 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)N(C)C1CC1 1760491212 XQHQRWDCPPMSIJ-QZTJIDSGSA-N 425.646 4.793 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760491431 GYQCWPLSGMCHIN-QGZVFWFLSA-N 430.581 4.625 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1760559172 DGJVZDUZGBDKJX-VGSWGCGISA-N 429.565 4.606 30 10 IJEE C[C@@H](Oc1cccnc1NC(=O)Nc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1 1858840015 JPCOSSAAGNBUGZ-CQSZACIVSA-N 435.871 4.657 30 10 IJEE N#Cc1ccc(NC(=O)c2cccc(NC(=O)C3CCN(Cc4ccccc4)CC3)c2)cc1 1860860895 VXZLKMAAVIFBES-UHFFFAOYSA-N 438.531 4.661 30 10 IJEE CCCCCCCCNC(=O)C(C)(C)NC(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861364003 SKMBVCYCPUMFGI-UHFFFAOYSA-N 447.403 4.996 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1CC(C)C 1862468775 XRQZDBPXRLBRTH-LJQANCHMSA-N 428.326 4.992 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480387 FQRWBGPZHZVYLO-OAQYLSRUSA-N 448.500 4.786 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)ccc1O 1862480979 TYLLVDHPYQTPBW-ZDWFVDTJSA-N 435.520 4.866 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2)ccc1F 1862501228 YJCPJCGOFGVRHW-HSZRJFAPSA-N 431.463 4.791 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1Cl 1862606825 AQTJZRPAHJEVCX-OAQYLSRUSA-N 441.911 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc(C)c2)cc1F 1862636236 BRYMXAUCVQFGJH-NRFANRHFSA-N 437.492 4.983 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862747853 WJTLVAXQLBLIIJ-OAQYLSRUSA-N 448.500 4.786 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(Br)cc2C)=C(c2ccc(F)cc2F)C1=O 1863321884 KRKWFUDBPJLWSK-UHFFFAOYSA-N 447.279 4.722 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3cccnc3)C2=O)cc1 1863388922 YTMRBBUGBDJNAM-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN(CC)CC)=C(c2ccccc2F)C1=O 1863647936 FZBJZHZEXPPSPI-UHFFFAOYSA-N 445.623 4.978 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2OC)C(=O)N(CCCOC)C1=O 1863762587 RNXCOMZAZCYQPV-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 1870002353 LEDSHVPLVKYRPG-VGOFMYFVSA-N 437.906 4.890 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1cc(C)cc(C)c1 1870872803 XNCYREFLZLKNTJ-UHFFFAOYSA-N 428.573 4.990 30 10 IJEE C=CCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871659026 GGXGTOPQSHXKAI-BGYRXZFFSA-N 428.584 4.708 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 1872413737 QVFAKJLGOSSUOV-QFIPXVFZSA-N 446.638 4.631 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C/c1cccc2[nH]ccc12 1873504589 CFMIAPDLAVTOLV-AFUMVMLFSA-N 433.537 4.673 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc[nH]2)cc1 1874301959 ZWEIYIFYFLCRHT-CVKSISIWSA-N 435.528 4.909 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2C2CC2)cc1OC 1874519655 FHBQWFSCRNAKNH-ZMOGYAJESA-N 426.517 4.876 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCCc1ccccc1 1874620912 ZSKWBYMVQJQZRI-CSKARUKUSA-N 446.499 4.993 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(Cl)c1OCC(N)=O 1874638775 RCVVUIPAQUHOAH-CSKARUKUSA-N 439.895 4.661 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 1874698613 FWJQWKZCFZMWPV-SDNWHVSQSA-N 446.459 4.785 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)COc1ccccc1 1874704344 JVFNQMUBHAQJJT-ZRDIBKRKSA-N 432.472 4.893 30 10 IJEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)ccc1[N+](=O)[O-] 1874705985 JXVUSJMDKSACJA-WEVVVXLNSA-N 445.427 4.790 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC(=O)C1CC1 1875099568 ODYDIOXGMXFERC-WEVVVXLNSA-N 430.884 4.967 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 1875099731 VUHXOHCKBHAJQH-SOFGYWHQSA-N 449.297 4.686 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CC3)c(OC)c2)c1 1875171881 ROMMTGLETGYCDV-YRNVUSSQSA-N 440.492 4.713 30 10 IJEE C#CC[C@H](C[C@@H](NC)c1cc(Br)ccc1I)C1CC1 1887490994 XXHYMYCGTGTFIW-MLGOLLRUSA-N 432.143 4.754 30 10 IJEE COc1ccc2cccc(CC(=O)NCC#CCOc3cccc(C(F)(F)F)c3)c2c1 1891589380 CSDPBILKCISEPK-UHFFFAOYSA-N 427.422 4.608 30 10 IJEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc34)C2)c1 1891739077 GOJNWKGCCNVBIU-KRWDZBQOSA-N 426.501 4.523 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)cccc1Br 1986040854 PHQZQYLMIMEXLG-DZGCQCFKSA-N 448.199 4.942 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@]2(C)C1 2005136210 SSWZDNCSYMWFDY-VHKYSDTDSA-N 447.498 4.715 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2020139987 UXGSEOZRTAWCET-QVKFZJNVSA-N 436.557 4.852 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079039393 BYYBCXOMJNANHA-ZDUSSCGKSA-N 431.199 4.686 30 10 IJEE CCOc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)cc1 2080103704 ADXDRIMRMUUNLR-KRWDZBQOSA-N 447.320 4.809 30 10 IJEE Nc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)c4)c(C(F)(F)F)nn13)CCSC2 2081474221 IKNFMUZDRXMQOA-UHFFFAOYSA-N 436.356 4.945 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Nc2cc(Br)cc(F)c2C#N)CC1 2107453125 GUTWWKMOWIIVKA-MQMHXKEQSA-N 426.330 4.955 30 10 IJEE CC1(C)C[C@](Oc2ccc(Br)cc2C#N)(C(=O)O)[C@@H]1OCc1ccccc1 2156355235 PSUUPIVQERDYPO-WIYYLYMNSA-N 430.298 4.538 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181143736 LONBOKCWKGFFQP-GOEBONIOSA-N 436.350 4.590 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190479671 VHMCEWMVILCBKB-IQFVJIFQSA-N 448.416 4.509 30 10 IJEE O[C@@H](C#Cc1ccccc1Br)c1cc(Cl)ccc1I 2227479974 FMIZQJLCMKRJQW-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE C#CC[C@@H](C[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237415057 LZHMWNGSDOCJEA-PWIZWCRZSA-N 436.390 4.685 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1C#N 2243918231 CRUJWMVKRYRFIB-MUEKUWCCSA-N 445.563 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCN)c1cc(Br)c(Br)o1 2245843513 CITDCJUJCCQVCG-INIZCTEOSA-N 445.151 4.594 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(C)(C)C 2267499836 ZPLFYMSGTCBLCB-QGZVFWFLSA-N 440.368 4.597 30 10 IJEE C=CCCC1([C@@H](O)Cc2ccc(Br)c(F)c2F)CN(C(=O)OC(C)(C)C)C1 2281031751 DYMJMJBOKPCHPZ-HNNXBMFYSA-N 446.332 4.834 30 10 IJEE C[C@H](c1cc(Br)cs1)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2284358755 KMAYPTWLKSSGDY-LLVKDONJSA-N 441.175 4.541 30 10 IJEE CC(C)(C)OC(=O)N(CCC[C@H](N)C#Cc1ccc(C(F)F)nc1)Cc1ccccc1 2301933174 OKDXDROZHAEWFL-FQEVSTJZSA-N 429.511 4.916 30 10 IJEE CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccc(O)cc1 2321354369 LJTPTBYZYIGBRY-UHFFFAOYSA-N 437.352 4.906 30 10 IJEE CCCCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(OC)c(OC)c1OC)C3=O 2322047779 SNRHUKKJUOYMGC-UHFFFAOYSA-N 439.508 4.671 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)CN(C[C@@H](C)O)CO2 2322099023 UUXDMRBLWRYYTK-GOSISDBHSA-N 427.500 4.811 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccc(C)cc2)C4=O)cc1OC 2322209572 BAVHDGMWNJFRLT-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE Cc1c(OC(=O)c2ccc(C=CC(=O)O)cc2)ccc2c1OC(=Cc1ccccc1)C2=O 2323613381 WTSPUAXSXKTKFP-UHFFFAOYSA-N 426.424 4.928 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4ccccc4)CC3)C2=O)cc1 2324161680 DCFBDLSLVNFDGE-UHFFFAOYSA-N 426.516 4.639 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(C)ccc3OC)ccc2C1=O 2325118588 PYUYMTXIULFOPL-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2C1=O 2325301802 VPFIFVIWLCNHMU-MRXNPFEDSA-N 440.455 4.589 30 10 IJEE CC[C@H](C)c1ccccc1NC(=O)C(=O)C=Cc1ccc(OCC(=O)N(CC)CC)cc1 2325565173 HCQIKVCGPHDPER-IBGZPJMESA-N 436.552 4.668 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)C(C)C 2325747244 IZFLYGICEPJBBC-UHFFFAOYSA-N 447.281 4.644 30 10 IJEE Cc1ccc(C=Nn2c(COc3ccc(C)cc3C(C)(C)C)nnc2SCCO)cc1 2325906667 GBUODJNUQLOAJN-UHFFFAOYSA-N 438.597 4.738 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(C(=O)O)cc1 2326315535 SVGWMLNHLQRJNY-UHFFFAOYSA-N 438.553 4.545 30 10 IJEE Cc1ccc(O)c(C=Nn2c(CCc3cccc4ccccc34)nnc2SCCCO)c1 2326618512 BSMNHWAEPZDQSA-UHFFFAOYSA-N 446.576 4.587 30 10 IJEE CCOc1cc(C=Nn2c(C)nnc2SCc2ccc(C#N)cc2)ccc1OC(C)C 2326660733 USNCZYYJPPRMAL-UHFFFAOYSA-N 435.553 4.819 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(C(F)(F)F)cc1 2328261570 ATPLZFNVUVXLTL-UHFFFAOYSA-N 436.459 4.879 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SC)cc1 2328438823 ABXUEJYAJGFBEO-UHFFFAOYSA-N 425.514 4.560 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cc(Cl)ccc1O 2328636588 NQUOUFPBDWNWGU-UHFFFAOYSA-N 442.972 4.981 30 10 IJEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccccc1F 2330807395 XUIVQZUKFJKJII-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(N(C)C)cc1 2331299151 ALMKJDXCLNUWEZ-UHFFFAOYSA-N 445.592 4.861 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)(C)C)cc1 2331375984 CIYDQESOXWGGTO-UHFFFAOYSA-N 437.569 4.506 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(Cl)cc1 2331436441 VMMXNBVNVGZVPP-UHFFFAOYSA-N 445.951 4.882 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C2CCC2)c(OC)c1 2331500484 OLXYBURKMMRWOY-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE Cc1ccccc1COc1ccc(C=Nn2c(SCCCO)nnc2C2CCC2)cc1 2331539996 PLWIGPRFUGIXLW-UHFFFAOYSA-N 436.581 4.790 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c([N+](=O)[O-])c2)c(OCC)c1 2331734553 ZJJSKDFIAMNHMU-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE COc1ccc(C=C(C(=O)Nc2c(C#N)nnn2-c2cc(C)cc(C)c2)c2ccccc2)cc1 2332190393 MRWDYVHXQGTZFI-UHFFFAOYSA-N 449.514 4.944 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357064330 VHMCEWMVILCBKB-IGABQKFOSA-N 448.416 4.509 30 10 IJEE C=CC[C@@H](Oc1cc(Br)nc(C(C)(C)C)n1)[C@H]1CCN1C(=O)OC(C)(C)C 2360899249 UUJVUPCMCDYLTA-ZIAGYGMSSA-N 440.382 4.870 30 10 IJEE CN(CCc1cccc(Oc2cc(Br)cnc2C#N)c1)C(=O)OC(C)(C)C 2364205107 IVCVBZIQOJWEKQ-UHFFFAOYSA-N 432.318 4.917 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)nc2sccc2c1=O 10493676 FQXGZTDWNPRUSF-MRXNPFEDSA-N 441.622 4.812 30 10 IJEE Cc1ccc(CN/C(=N\c2ccc(C(=O)O)cc2)N2CCN([C@H](C)CC(C)C)CC2)cc1 21046960 MWBXXDPZLRLGBM-OAQYLSRUSA-N 436.600 4.523 30 10 IJEE C#CCN1C(=O)S/C(=C\c2cc(CC=C)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 33399208 IIRFBXKJTGIKQF-JCMHNJIXSA-N 433.529 4.981 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)Cc1ccccc1 35765538 KWGACWCMQUMRBF-UHFFFAOYSA-N 434.511 4.513 30 10 IJEE O=C1Nc2ccccc2/C1=C1/S/C(=N/c2cccc(C(=O)O)c2)N(C2CCCCC2)C1=O 39866854 OFIWUKLDLQEWAL-AEUWTHGRSA-N 447.516 4.644 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(Cc4ccccc4)CC3)C2=O)cc1 41584875 GSQVKGWVRJJAEF-ONUIUJJFSA-N 440.543 4.635 30 10 IJEE O=C(/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 101687016 WIFGYCCMPQJFHL-ZXQIJLNISA-N 445.519 4.980 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)/N=C2\C=C(Br)C(=O)c3ccccc32)cc1 102628641 UAQZTFNHYKADTI-RELWKKBWSA-N 432.339 4.637 30 10 IJEE Cc1nc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)sc1C 103109239 SPYLXBKJSBOHEQ-VZCCSQPZSA-N 426.444 4.664 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(C)c(C)c2)=C(O)C(=O)N1c1ccccc1O 169942641 VTGVEPWHCZQLRG-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccnc2)cc1 170006582 RFEPZVVUADRRSO-HSZRJFAPSA-N 439.471 4.745 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1cccc2ccccc12 170046268 GNQXQBLFCBYXBK-HSZRJFAPSA-N 449.478 4.602 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2F)cc1 170069663 WFYOACIVRBIMAP-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccco1)c1cc2ccccc2o1 170091299 BNAKPPTUHLUDQJ-QFIPXVFZSA-N 443.411 4.580 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(C)o1 170103305 LASTYZFXVKWXQE-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 170130072 QKIVMOIZRIGUKE-GYCJOSAFSA-N 446.547 4.597 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(C)c2)c1 170140083 QWGJGHJYRKIFME-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(C)c2)cc1 170143443 KWKURTXGQKWPFD-GMAHTHKFSA-N 435.520 4.541 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(OC(C)C)c1 170153103 HYWYAIDNFSDZNA-OAQYLSRUSA-N 438.480 4.760 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1cccs1 170164955 XBHPPLOQAKDAFQ-FQEVSTJZSA-N 429.538 4.924 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)c1 170223655 IPZMHKGHZHMKIK-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2F)cc1 170247562 BBXSMJDUOGALJA-QFIPXVFZSA-N 441.499 4.618 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)cc(C)c3OC)[C@@H]2c2ccco2)c1 170278673 GDLKOJNJMCYQLD-NRFANRHFSA-N 433.460 4.697 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccco2)cc1C 170295545 GILFNWQAVTVVSN-QFIPXVFZSA-N 441.524 4.770 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1sccc1C 170319411 WWVSPGGMSYICHB-LJQANCHMSA-N 429.538 4.842 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccc(OC(C)C)cc1 170474401 WBVQQEAOQPKMDD-QFIPXVFZSA-N 433.508 4.865 30 10 IJEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1=NNc1ccccc1Br 252461061 KGPHDLFXLRAAQP-UHFFFAOYSA-N 440.326 4.763 30 10 IJEE N#Cc1cc(F)c(Nc2cccc(F)c2I)cc1Br 311478980 KOKSJELPBVSOFY-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE N#Cc1ccc(F)c(CNc2ccc(Br)c(I)c2)c1 311692805 FVUUFBWESRFFIJ-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cn1)NCCC 407589060 LMFSNGQXBZKVDQ-QZTJIDSGSA-N 426.399 4.614 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 435766712 ZWTINAKPWDGQRR-RBUKOAKNSA-N 425.495 4.526 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 475465256 BGPOHXDFTDUMMR-AWEZNQCLSA-N 434.353 4.754 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 493077657 JFLNNLCBAXITIC-YZIHRLCOSA-N 448.563 4.805 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 502499715 HDLRCTSJRCPYPX-VVDREJGLSA-N 430.548 4.662 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 507810957 JZPUYEBKQUNMNJ-GOSISDBHSA-N 446.301 4.579 30 10 IJEE C=CCn1c(COc2ccccc2Cc2ccccc2)nnc1N(C)Cc1cc(C)on1 508477938 OAQKGVCMRCELIC-UHFFFAOYSA-N 429.524 4.567 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1nc(-c3cccs3)n(-c3cccc(F)c3)n1)CCCC2 537172818 GBEXEDUQDVWWII-UHFFFAOYSA-N 444.495 4.533 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(OCC2CC2)CC1 559011271 XEMFIKTXGNEFBV-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE COc1ccc(N(CCCC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC 586243094 JWFMVFVZSCHUPC-UHFFFAOYSA-N 429.325 4.510 30 10 IJEE COCCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc2cc(Cl)ccc21 598583409 AAUZMACGGBVFEZ-BXFSZVDSSA-N 449.020 4.748 30 10 IJEE C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(N2CCCC2=O)cc1 728471162 VCAAHBFRMUPECN-SFHVURJKSA-N 425.488 4.968 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 735310118 QCZPMUBNKLJZFG-INIZCTEOSA-N 426.879 4.811 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 735310869 FHBZOUIGHSTJSH-UHFFFAOYSA-N 436.314 4.886 30 10 IJEE Oc1nc(NN=Cc2cnc(-c3ccc(Br)cc3)s2)nc2ccccc12 752735332 SHOPIJDLRMHQHG-UHFFFAOYSA-N 426.299 4.667 30 10 IJEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1ccccc1 757616701 FOYVNVAMYZTRBC-WGHUORJYSA-N 430.529 4.594 30 10 IJEE COc1ccc(C(=O)C[C@H](C)C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 796888007 JVQMYONWAJSVGF-MGPUTAFESA-N 434.517 4.913 30 10 IJEE C#CCOc1ccccc1-c1noc([C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)n1 809397340 OGVPMCORMOLCKX-LJQANCHMSA-N 437.471 4.544 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCOc2ccc(C)cc2C)c(C(=O)OCC)c1C 1124756598 JOIOYSJHQIKCMX-UHFFFAOYSA-N 445.537 4.600 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 1125672733 UJTGNJDVCVXBMA-UHFFFAOYSA-N 429.192 4.603 30 10 IJEE C#CCOc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 1126060304 JNMSIRZEVZJVNG-UHFFFAOYSA-N 440.528 4.677 30 10 IJEE C=CCCCCCCNC(=O)c1cc(Br)cc(I)c1 1128845117 RFKUQBIWQPLKBH-UHFFFAOYSA-N 436.131 4.920 30 10 IJEE C=C[C@H](OC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1)c1ccccc1 1131134955 RUOFTMGBLJUTLI-QFIPXVFZSA-N 429.476 4.581 30 10 IJEE C#CCC[C@@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1138991343 NETSGSQXHYDSJY-OJLMNSMJSA-N 440.543 4.624 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@]3(C)Cc3ccc(F)c(F)c3)n[nH]2)c1C 1152158285 QBEAYJSMMAAIDC-XMMPIXPASA-N 439.510 4.592 30 10 IJEE C=CCn1c(SCC[C@H](O)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164428095 BGMNJGPEQYBLOA-QAPCUYQASA-N 426.607 4.985 30 10 IJEE C=CCC1(C(=O)NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)CCCC1 1167364384 BQVNMZUCFCNVKA-UHFFFAOYSA-N 434.378 4.698 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccnc2N2CCCC2)cc1OCC 1203089315 FFQWKESFFZNJHF-UHFFFAOYSA-N 446.389 4.698 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)Cc1ccc(Br)cc1Cl 1208462360 XFFNISZKKIVWOI-UHFFFAOYSA-N 444.778 4.629 30 10 IJEE CN1CCC[C@@H]2CN(C(=O)Nc3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CC[C@H]21 1219255741 BJMKRKHCHQJHGI-IUODEOHRSA-N 441.391 4.924 30 10 IJEE COc1cccc([C@H](CNC(=O)N(C)CC(C)(C)C#N)c2c[nH]c3ccccc23)c1OC 1220474637 CEQOITBWDMMVHO-FQEVSTJZSA-N 434.540 4.508 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)c1ccc(Br)cc1 1230499270 TVPOITHTKIGCKQ-LEWJYISDSA-N 445.332 4.653 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21 1264920787 NGKQOWYJCALHHD-UHFFFAOYSA-N 438.524 4.658 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCc2cccnc21 1286419046 WBJWTAAPLIIQSV-NRFANRHFSA-N 429.955 4.577 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1286456764 VJTBRLQSVCAAPK-NFBKMPQASA-N 449.574 4.893 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(F)(F)F)CC1 1286500681 BYKDJLSKXLATET-UHFFFAOYSA-N 446.901 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1286548415 BAEOPQOIAIWIPD-RBAQFSTRSA-N 429.996 4.990 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CC1CC(F)(F)C1 1286559463 WRILQXBUIUKCBB-IRLDBZIGSA-N 430.543 4.640 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@H](OC)C1)c1ccccc1 1286619293 QIDQRYGRACUBFY-RLLPEYFOSA-N 438.616 4.771 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1286619855 DTLVNQZSCCMPIS-YOEHRIQHSA-N 425.360 4.685 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CCC1CCOCC1 1286693927 GGWVKASMZUWLOX-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](COC)C1 1286704179 LSKOPLPRFWZUFP-HXUWFJFHSA-N 426.605 4.984 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC1(OC)CCCC1)C1CC1 1286735073 MUGOGGUGYOBHED-UHFFFAOYSA-N 437.407 4.883 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)S[C@H](C)C1 1286830745 PZIUVCGMODBNCP-IAGOWNOFSA-N 441.626 4.850 30 10 IJEE C=CC1(CC(=O)NCc2cc(-c3ccc(OC)cc3)cs2)CN(C(=O)OC(C)(C)C)C1 1294436446 DOPQAGKGUGNYIH-UHFFFAOYSA-N 442.581 4.853 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(COc4ccccc4)cc3)n[nH]2)c1C 1295764312 XLNPUXGBULIGBV-UHFFFAOYSA-N 427.508 4.907 30 10 IJEE O=C(c1conc1C(F)(F)F)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 1297023513 GXZNKZWVEIJKFP-UHFFFAOYSA-N 426.288 4.693 30 10 IJEE C#C[C@@H](NC(=O)C1CC2(C1)C[C@H](NC(=O)OC(C)(C)C)CCS2)c1ccc(Cl)cc1 1298924185 BKWKRYAHXCJSKV-VROYJQPTSA-N 449.016 4.700 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1300338157 AEZNGMSOAVPDHP-RTBURBONSA-N 431.625 4.725 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1300347362 DFOWWWYSUDKVNL-QZTJIDSGSA-N 427.390 4.912 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1300945019 OPROVFASTXEPRF-UHFFFAOYSA-N 429.355 4.550 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OC(F)F)c(OCC)c1 1300948875 GJFSEMUMOFSHOG-SFHVURJKSA-N 436.503 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCSC3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1301158598 JYOQTTXBMGGLBO-DEOSSOPVSA-N 448.677 4.789 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1301197176 GKJSXBMANALAJA-TUNNFDKTSA-N 439.604 4.606 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1Cc1noc2c1CCCC2 1301337792 MAOFFBXZDDMDJB-UHFFFAOYSA-N 435.572 4.593 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CC[C@H]1CCCCO1 1301383334 BQKGPWBGGZDDOA-QGZVFWFLSA-N 431.378 4.845 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(C)ccc2OC(F)F)C1 1301557453 PBIYACGQGPZMHJ-SFHVURJKSA-N 434.531 4.606 30 10 IJEE C#CCOc1ccccc1CNc1cnn(Cc2ccc(Br)cc2Cl)c1 1308430254 MSHIXASAMFNZJA-UHFFFAOYSA-N 430.733 4.971 30 10 IJEE C#Cc1ccc(NCc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)cc1 1308974090 KSSNJBNUELZMLZ-UHFFFAOYSA-N 429.749 4.948 30 10 IJEE C=CCC[C@H](NS(=O)(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(C(F)(F)F)cc1 1309334109 IJFKASAWRKVWSA-PMPSAXMXSA-N 445.425 4.742 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC)c1ccccc1 1310230278 UZNOCJCPKPSSPR-INIZCTEOSA-N 442.459 4.818 30 10 IJEE N#Cc1sccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1356253800 IFYWHXKGSFIHIG-GOSISDBHSA-N 427.982 4.864 30 10 IJEE CC(C)(C)OC(=O)N(CCNC(=O)CSCc1ccc(C#N)cc1)C1CCCCCC1 1356311508 CKCIRZBPUBHCCW-UHFFFAOYSA-N 445.629 4.868 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cc(C)c(OCC(=O)OC)c(C)c2)c1 1358006464 AGAWQRNGDABWQR-UHFFFAOYSA-N 433.529 4.745 30 10 IJEE CC(C)[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccc(C(F)(F)F)c1 1358199818 CWDGRTAWOKRIEM-DYESRHJHSA-N 430.426 4.870 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOC)CCC1 1358878880 GPNWLQLEEPHEPF-KRWDZBQOSA-N 445.405 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(OC)C1CC1 1359063815 FEQDMJVIDGUKSC-LIKDZFNVSA-N 436.600 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCS1 1359066474 CDFYDIIVCFQAOG-DYESRHJHSA-N 445.430 4.904 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CC)CC1CC1 1359092635 DBBMNFIBYKUNLL-AZUAARDMSA-N 432.515 4.764 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccccc1F 1359097830 UORKXUROAIOQMR-PWHSHALESA-N 435.547 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](c1cccs1)N1CCCC1 1359111427 ZYHRRVWVINDUKI-OAQYLSRUSA-N 436.629 4.950 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359123881 VNPTXOJWUHDZQG-LEWJYISDSA-N 425.621 4.784 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(OC)C1 1359128281 PBTHBLHRJVRKSM-UUOWRZLLSA-N 444.645 4.729 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359206390 CZRWSFHUXXLQNR-VAMGGRTRSA-N 442.608 4.628 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@H]1C)C1CC1 1359250772 UHUKQYUHUZQZFZ-QUCCMNQESA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCCC1 1359262489 VGQWDCACHSPKAO-UHFFFAOYSA-N 446.624 4.947 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 1359264050 SXCIDKNLFCQACZ-UHFFFAOYSA-N 448.658 4.547 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(OC)CC1 1359276771 OWALMXJPULPCTN-UHFFFAOYSA-N 445.567 4.850 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1359279927 YCDHOWWCKFLCRO-FYYLOGMGSA-N 436.556 4.653 30 10 IJEE CC(C)(C)OC(=O)NCC1(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCCC1 1360597250 GQMJWIDAXHZDRU-UHFFFAOYSA-N 439.581 4.988 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)c(C)o1 1360997466 HSQAPRVMXJLHSR-RJYGXOMWSA-N 433.556 4.559 30 10 IJEE COC(=O)[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cc(F)ccc1F 1434959705 AJMDMFOYRWANFJ-NRFANRHFSA-N 438.455 4.632 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[C@H](C)C2)ccc1Cl 1436132952 FEVHJKVQASJDDD-ROUUACIJSA-N 447.000 4.887 30 10 IJEE COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1 1436204051 FMOKCTLIYZSADC-QRWLVFNGSA-N 443.341 4.708 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC/C=C/C2CC2)ccc1Cl 1436404253 QKMPYMFKHADOJZ-ONEGZZNKSA-N 448.947 4.556 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 1442073326 AZFBKUDBGLWVHH-QIJUGHKUSA-N 446.563 4.535 30 10 IJEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(COc3ccccc3C#N)c2)CCCC1 1444147009 GEOITUQKQZWJLD-UHFFFAOYSA-N 449.551 4.705 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CSC(c3ccccc3O)=N2)cc1 1464349170 IBMOQFHWZKZMQX-JOCHJYFZSA-N 443.528 4.538 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(Cl)cc1 1466850171 YLGPVHPKHQUNJV-CJNGLKHVSA-N 429.757 4.664 30 10 IJEE C[C@@H](O)[C@@](C)(CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 1467801958 BUJCXVVBJAIZEZ-WXTAPIANSA-N 432.495 4.849 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2nccc(-c3cccnc3)n2)CC1 1470490548 JRCFQLDTXQFTCX-QHCPKHFHSA-N 427.552 4.615 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CC[C@H](C(F)(F)F)O1 1472934673 KNTRSEKHTOLMAT-LSDHHAIUSA-N 433.883 4.899 30 10 IJEE C=CCN(C(=O)CN(C)C[C@H](C)OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1473450314 OFPPTTVKBJZIFH-ZDUSSCGKSA-N 428.385 4.603 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)C1 1476075698 GCVIYIKRGODFOX-MSOLQXFVSA-N 441.963 4.620 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1)c1ccc(F)c(F)c1 1476140339 LLNCUMGFOGIFAK-OAQYLSRUSA-N 440.450 4.766 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C(C)C)cs1 1507521653 AQCFGGMNAMHSCE-AWEZNQCLSA-N 444.402 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1507534879 BCNOJPNZHJXATI-SFHVURJKSA-N 425.577 4.524 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1cccnc1)C(C)C 1507644598 KXOYIAQARMMWEX-QFIPXVFZSA-N 447.970 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)CN(C)C 1507771952 JLBXZRNQHAAPCF-HSZRJFAPSA-N 446.064 4.804 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1507874669 VDWFIHMLKKOEOY-RTBURBONSA-N 447.967 4.536 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cn(CCCCC)nc2C)CC1 1507877788 GNJZYXCIKYRGRL-UHFFFAOYSA-N 429.572 4.717 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(C)C)CC1 1507913784 BSBLYWLSQTYRGS-FQEVSTJZSA-N 443.611 4.938 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1507934988 LKJIZFVDVJAVSJ-OXQOHEQNSA-N 434.943 4.509 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@](C)(OC)C1 1507941440 HANPGCGBIMUHFL-NRFANRHFSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507955981 YBLXDUSVOUZNHX-RUZDIDTESA-N 426.605 4.680 30 10 IJEE C=CCCOCCn1c(-c2ccccc2)nnc1N(C)Cc1cc(Br)cs1 1507959173 IWKUZKJXRLPVFF-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(C)(F)F)C1CC1 1507990927 PXGLNMNONHYSLU-UHFFFAOYSA-N 441.320 4.916 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CCc1ccc(C)cc1C 1508028792 VZNGHXKEPFRXIB-UHFFFAOYSA-N 429.568 4.971 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccccc1F 1508060708 DHDIPWQQJVYQFF-LJQANCHMSA-N 443.567 4.744 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1508167988 MFWJYOWKIKLUCP-FHWLQOOXSA-N 449.665 4.894 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC1CCCC1 1510265786 GLMQJOFRZTWCNG-DYESRHJHSA-N 443.979 4.771 30 10 IJEE C[C@@]1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CC#N)CC2)CCCO1 1510343296 CJZSBMPNRLFKSS-NRFANRHFSA-N 434.371 4.951 30 10 IJEE C=CCN(C(=O)c1csc(-c2cccs2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1516155283 HQQVVHXWBMXCLV-SFHVURJKSA-N 426.563 4.674 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 1519589898 KYCUNOBRLNDPIH-DNVCBOLYSA-N 429.446 4.744 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCO[C@@H]1CCCC[C@H]1C 1520226162 HNGDJOPQMDUPOB-BVYCBKJFSA-N 439.629 4.744 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1 1520329226 AOKYVOJZVQHFPJ-YLJYHZDGSA-N 445.658 4.592 30 10 IJEE C=C(C)[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)c1ccc(F)c(F)c1 1523232766 OQRBYYUIEYABLV-LIRRHRJNSA-N 435.268 4.587 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)[C@@H](C#N)C1 1525126714 DPTZVOWZZSFVQX-NSHDSACASA-N 440.352 4.793 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 1525236008 PFGNUGCTLDWEKU-XMMPIXPASA-N 434.580 4.612 30 10 IJEE CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 1525319657 CXVIZVZKSOKTBP-HXUWFJFHSA-N 437.565 4.840 30 10 IJEE C#C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1Br)c1ccc(Cl)cc1F 1528531065 GBUOJFMTIXMDQH-SFHVURJKSA-N 446.707 4.591 30 10 IJEE CC(=O)c1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1OC(C)C 1529165896 WHJPJFVQWZWIMY-UHFFFAOYSA-N 433.508 4.512 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)sc2c1CC[C@H](CC)C2 1530204139 FMISAMXJOOTYMJ-CABCVRRESA-N 426.538 4.717 30 10 IJEE C=C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1)c1ccccc1 1532387952 QXGGWERIOCCFPF-XLIONFOSSA-N 446.316 4.911 30 10 IJEE C#CCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1533375231 NLEOBSSLXBKELA-FQEVSTJZSA-N 431.319 4.639 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N(C)Cc1cc(OC)ccc1Br 1539065320 FIRZQFUIYOZFOC-UHFFFAOYSA-N 431.378 4.757 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1539067697 JCNCZPYVKPCCTF-HSZRJFAPSA-N 447.558 4.777 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1539102051 RCFYIYWSRSRDNT-NRFANRHFSA-N 430.581 4.688 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1csc([C@@H](C)OC)n1 1539154533 KIMQARDLQTUIOY-OAHLLOKOSA-N 441.626 4.557 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H](c1ccsc1)N(C)C 1539384980 RIAVPVBDSOGCGS-PGRDOPGGSA-N 439.604 4.935 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccccc2Br)nnc1C(C)(C)C 1539642132 PDLGSYYUDQRFQB-MJGOQNOKSA-N 447.421 4.956 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2csc(CC)n2)CC1 1539836691 YWZIWDFBQXYKPV-UHFFFAOYSA-N 445.539 4.965 30 10 IJEE N#Cc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)c1 1540550016 FQEVOLBGFDOTPA-UHFFFAOYSA-N 435.449 4.523 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1cccs1 1540857954 XPNPGSPGGRIYDB-KRWDZBQOSA-N 431.606 4.667 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2sc(C)nc2C)C1 1540886634 GXZAKFXNGIPZST-IBGZPJMESA-N 444.004 4.696 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)c(OC)c1 1544184723 KCHUTXSLTVZKAY-LPHOPBHVSA-N 444.369 4.970 30 10 IJEE COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)[C@@H](C)C#N)c1OC 1544668907 AOQDKGKLLDRQPW-GDGUIRGDSA-N 427.504 4.723 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 1556835823 GJVRNQACXJWGJH-HSZRJFAPSA-N 443.632 4.704 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@H](C(=O)Nc3ccccc3OC)C2)cc1OC 1561033716 VJDGILAIHDSNKI-SFHVURJKSA-N 444.959 4.773 30 10 IJEE C=CCCCCCN(C)S(=O)(=O)c1cc(Br)cc(Br)c1 1561279661 YFPAMOZKAAXLQH-UHFFFAOYSA-N 425.186 4.579 30 10 IJEE C=C(C)COc1cccc(NC(=O)N(C)[C@H](CO)c2cc(OC)ccc2Br)c1 1562324001 BWFFKHMMMSMBNS-HXUWFJFHSA-N 449.345 4.610 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)CC1 1562416501 HGNZSQZNBBFFNN-UHFFFAOYSA-N 447.558 4.951 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@@H](C)CCO)cc1 1569285057 BXNPNUGYCDKWPX-HNNXBMFYSA-N 445.441 4.653 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C 1569685497 KCTNIASTXOZNFE-FXAWDEMLSA-N 435.996 4.627 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1583929599 AZYMFYMDTDCWMM-QFIPXVFZSA-N 442.600 4.870 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 1586139611 GTWKYIMEVGYTMW-REHUZNOOSA-N 434.580 4.952 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(I)cc(Br)c1C 1586932648 GUEBPBKBIKMHFL-UHFFFAOYSA-N 436.131 4.837 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C(C)C)C1 1587807414 CQZGBDJYDGRYBQ-KNQAVFIVSA-N 442.629 4.808 30 10 IJEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1587888719 KZFJRBWYCIOZBA-FCHUYYIVSA-N 440.563 4.584 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc2cc(Cl)ccc2s1 1587960609 XGIWFFBGVBTMFN-OAHLLOKOSA-N 437.993 4.858 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1588198205 KJVAIHNTGSNXJN-FQEVSTJZSA-N 438.019 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 1589505516 NAPUUBRQFUJKFZ-ICSRJNTNSA-N 445.489 4.577 30 10 IJEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1594713682 JRXPVBDIJMYFDJ-OAHLLOKOSA-N 441.377 4.531 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1CSC 1594727174 LLGQKMDUXQOPEO-OALUTQOASA-N 449.665 4.691 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1594913792 OQNAADDAYWAXIA-REWPJTCUSA-N 442.604 4.814 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CCNC(=O)C(C)(C)C 1595133423 GRFHIHSLXUMLOI-UHFFFAOYSA-N 441.595 4.505 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1595442513 PUMHSHAAJXVXQU-LEWJYISDSA-N 426.605 4.980 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](CC)(C(=O)OC(C)(C)C)C1 1598466742 MGTLJNPWWOPPOB-MHECFPHRSA-N 438.609 4.597 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 1609509318 BMAVTXGZXAJPES-UHFFFAOYSA-N 449.557 4.680 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccccc2OCCC)S/C1=N/c1ccc(C(=O)O)c(O)c1 1614234039 AYJQIYFYNUFIGC-QVAAVVQOSA-N 438.505 4.669 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)c(OC)c1 1618005449 XROSGTFSJZNICY-HXUWFJFHSA-N 444.369 4.799 30 10 IJEE C=CCCC[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1 1620542612 FGWSOMKQBUIPHP-IBGZPJMESA-N 443.473 4.912 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](CCCc3ccccc3)C2)c1 1621944073 FVXSJKDLCIVMCF-SFHVURJKSA-N 447.398 4.744 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1623821475 GHLCLOGHEXEKET-QFIPXVFZSA-N 442.556 4.723 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 1624769348 DSCFDEPWFFSVSE-OXQOHEQNSA-N 448.991 4.949 30 10 IJEE C#C[C@@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1625828471 LODFDVJYDKMMAO-BCHFMIIMSA-N 438.527 4.713 30 10 IJEE C=CC1(CC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)CN(C(=O)OC(C)(C)C)C1 1626001235 RRQFGTANZBQUIY-UHFFFAOYSA-N 449.523 4.924 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 1626774086 YPIJLEIWTOMPRL-ZDUSSCGKSA-N 436.377 4.552 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)C1 1628820405 LYVMKASBCGTKHJ-LJQANCHMSA-N 431.536 4.985 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1630878746 JVBMSKAAGRJHDA-UHFFFAOYSA-N 444.506 4.879 30 10 IJEE C#CCN(CC)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1630967154 QTAHJWFDGYUAIC-AREMUKBSSA-N 438.527 4.748 30 10 IJEE C=CCC[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1632366812 BLRFZTNXKAZIDW-QGZVFWFLSA-N 436.386 4.629 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN([C@H](CC)c3ccc(F)cc3)CC2)cc1OC 1633870658 AITZENNODBTPKI-ZCHVWDMZSA-N 438.543 4.708 30 10 IJEE C=CCn1c(S[C@H](CC(C)C)C(=O)OCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640556173 MMPGVZKVFZOADH-WMLDXEAASA-N 434.627 4.839 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 1641104127 MFABNGSGDAMMCZ-HDICACEKSA-N 448.947 4.912 30 10 IJEE C=CCNC(=O)NC(=O)[C@@H](C)Sc1nc(Nc2ccccc2Cl)c2ccccc2n1 1643579464 NIMFGGZEDKQWOM-CYBMUJFWSA-N 441.944 4.519 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Sc1ncccn1 1644351638 UYNIKPRSOROVKB-HNNXBMFYSA-N 434.949 4.602 30 10 IJEE C=CCCC[C@H](NC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)C(=O)OC 1644822521 FQRPCMZDLMIXKH-HNNXBMFYSA-N 438.952 4.894 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC([C@H]4CCOC4)CC3)c2C#N)C1 1645010331 BTDYPCSZKNDZOC-OALUTQOASA-N 443.657 4.848 30 10 IJEE C#CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCCc2ccccc21 1648424524 YYRMUNFERREBEE-NRFANRHFSA-N 436.353 4.936 30 10 IJEE C#Cc1cccc(N(CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)Cc2ccccc2)c1 1652883852 VCYMQVAZUPICDE-OAQYLSRUSA-N 442.559 4.878 30 10 IJEE C=CCN(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H](Cc1ccccc1)C(=O)OCC 1654155552 SZYXYSITYLYXOT-SANMLTNESA-N 447.554 4.663 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@H]1CCN(c2cccc(Br)c2)C1 1656934322 GGGVWHYAHIOWAG-MRXNPFEDSA-N 433.777 4.731 30 10 IJEE C#CCN(C(=O)Nc1c(CC)cc(C)cc1CC)C1CCN(C(=O)OC(C)(C)C)CC1 1661331220 GJIYXTCBCPVGIZ-UHFFFAOYSA-N 427.589 4.986 30 10 IJEE C=CCc1cc(CN[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc(OC)c1O 1662536312 KIXFGKKHWMDJBO-GJZUVCINSA-N 449.522 4.809 30 10 IJEE C=CCOc1ccc(CN[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)cc1OC 1662989254 DGQHGMXHYHDCRA-STZQEDGTSA-N 430.589 4.774 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 1667045912 AJAHWGKEUBRTHO-RTWAWAEBSA-N 437.483 4.504 30 10 IJEE Cc1ccc(CN2CCCN(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)CC2)cc1 1667885761 FOXLFJYNOUYVDZ-UHFFFAOYSA-N 441.535 4.794 30 10 IJEE COc1cc(NC(=O)NC[C@H](C)Sc2ccc(Br)cc2)c(F)cc1C#N 1673761841 DIZDSOXESOHWAR-NSHDSACASA-N 438.322 4.771 30 10 IJEE C=CCOc1cccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1 1673782298 HRZHILYWLYATHN-DLBZAZTESA-N 443.466 4.561 30 10 IJEE C[C@@H]1C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@H](c2ccccc2)C1 1681580591 HDAITHPWBZDQOK-ZVHMMZDDSA-N 432.568 4.915 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccccc1 1682352721 SQLJHEXCRFLJMI-RBUKOAKNSA-N 430.289 4.512 30 10 IJEE C#C[C@H](CCC)NC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 1683680873 IKRACXUYUIXFLD-RTWAWAEBSA-N 443.547 4.762 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1)c1ccc(Cl)cc1F 1683688785 HOHQBAWNFZJJDZ-JXFKEZNVSA-N 437.906 4.528 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1686923231 ZRJLMGISUXJESO-APWZRJJASA-N 437.943 4.584 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCSC[C@H]1C 1689878719 SFJUDSSDSNAPFP-CQSZACIVSA-N 437.382 4.592 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N(CC)CC)CC1 1689913559 QGJWGHQTCVUMFG-JOCHJYFZSA-N 437.632 4.759 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCSC1(C)C 1690009199 XOTPZEWFATYSBE-OAHLLOKOSA-N 433.408 4.856 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1ccccc1C 1690243552 MHGMDNXYGIDBPC-UPVQGACJSA-N 431.584 4.965 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CCOC)CC1CC1 1690331589 ZRDGIVZKIIJYGC-UHFFFAOYSA-N 444.004 4.992 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2ccccc2CO)CC1 1690430363 JEIKLIDXCYHZFK-JOCHJYFZSA-N 438.616 4.651 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)CC1 1690491961 LGWYQVOXIUKQAT-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCSCC=C)C1 1690688554 XMMBRMXKVQIFAC-LJQANCHMSA-N 435.597 4.502 30 10 IJEE CCOc1cc(C)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C#N 1696104799 ASLHQAWGCKOTMU-SYYKKAFVSA-N 439.604 4.548 30 10 IJEE N#CC1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2OCC(F)(F)F)CC1 1698489960 FKVUGTRGJQNBRK-UHFFFAOYSA-N 433.478 4.665 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1c(C)sc(C)c1Br 1705499643 VWBHCRVNEGCAFX-ZDUSSCGKSA-N 435.435 4.958 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C(C)C)C1 1705685008 KCQZGBXTKGJRDD-KRWDZBQOSA-N 442.361 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1705694744 DYCBQKKHZFYKCA-SBHAEUEKSA-N 439.560 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1705708515 CXBYEHFFGPXQRG-KNKQGSTJSA-N 446.542 4.628 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](C)C1 1705709940 UEHCGWPEKYHUOC-YWNPBTLJSA-N 442.629 4.652 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](CN(CC)CC)C1 1705795155 DKUIIECGSFUFFW-BHDDXSALSA-N 445.696 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2cc(F)cc(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1705802834 XENIIZORTQFQFL-DEOSSOPVSA-N 448.558 4.836 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)Cc2cscn2)cc1 1705911075 XUALVJZIYNHLET-UHFFFAOYSA-N 437.594 4.636 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCSC2(CCOCC2)C1 1722311889 MTQWGROQFFBHGZ-UHFFFAOYSA-N 448.995 4.644 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1722380271 XARIZVYSJFGBCF-URXFXBBRSA-N 432.612 4.911 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1cccc(COC(C)(C)C)c1 1722399243 RMDFJPGLDWTRIE-UHFFFAOYSA-N 446.620 4.757 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCO[C@@H]1CCCC[C@H]1C 1722418411 PNVOXASVBPHWGD-HYBUGGRVSA-N 449.574 4.658 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1722579052 HNYYBVHGGYHHBC-HYBUGGRVSA-N 449.599 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722589134 MGMDLGNGIJEBIZ-IBGZPJMESA-N 432.563 4.614 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1sccc1C 1722595760 UMGDTSFMXOIVJL-UHFFFAOYSA-N 427.574 4.607 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCSc2ccccc2)C1 1722717874 NZERESDCJFWLFY-SFHVURJKSA-N 441.988 4.567 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1740570242 VODKBONWCDAKSK-HXUWFJFHSA-N 449.624 4.702 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C(C)C)C1 1740586445 BCKUPBFEBWVMLW-KRWDZBQOSA-N 431.378 4.612 30 10 IJEE C#CCCCn1c(N2CCC[C@H](OCC(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1740596462 GHXVRCAUCMERBS-FQEVSTJZSA-N 446.517 4.709 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](OC)C(C)C 1740647551 VQRBRJAVFSLYMU-GOSISDBHSA-N 441.000 4.947 30 10 IJEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2=CCCCC2)CC1 1740699645 ODLAZDZLFZGAFI-UHFFFAOYSA-N 447.627 4.545 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1740709282 LOJIJUYODXKZAF-UWJYYQICSA-N 447.048 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)C1CCC1 1740755774 LWQOOKCOWAIGEM-BEFAXECRSA-N 431.378 4.678 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ncc(CC)s2)CC1 1740829424 BEKYJNMRNMVRIX-UHFFFAOYSA-N 441.626 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740851760 BSDMFPNUAXMRJW-RTBURBONSA-N 445.007 4.976 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740868249 HJOQEIDIAVAWEM-WMQCIHAUSA-N 442.007 4.843 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(CC)[C@H](C)C1 1740869093 AOYZXZKKMHXUEU-HXUWFJFHSA-N 435.572 4.614 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(COC)CCC1 1740894374 RCVSVXLPPCWHMV-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1740929217 LSJNKQKRXBKXEV-HSZRJFAPSA-N 430.600 4.754 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1Cc1sc(C)nc1C 1740935982 DENPKYOYBTYTGL-UHFFFAOYSA-N 449.580 4.903 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1748699969 SZPQTDLHCODSMS-FCHUYYIVSA-N 446.599 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(OC(F)F)cc1 1749072122 GLYSGIUKLKEVTN-JOCHJYFZSA-N 428.508 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1CCCCC1 1749135125 CRDYYUMXJHDRSF-YKSBVNFPSA-N 442.579 4.994 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccco1)N1CCCCC1 1749155935 NEQSURJAGRDIEN-IFMALSPDSA-N 427.593 4.742 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1OC)C1CC1 1749257954 IDHVRSBLKIVWPC-UHFFFAOYSA-N 430.339 4.924 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCN(CC)CC)CC1 1749292963 ZIAJLKZHIUGOHM-IBGZPJMESA-N 432.012 4.960 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2CCC(F)(F)CC2)CC1 1749311178 HOZORCJGTKGRFM-UHFFFAOYSA-N 432.515 4.848 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1749403755 JYLUYMYOOYAVMZ-FQEVSTJZSA-N 427.568 4.949 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1749430132 RRHJHUHKNWZLAK-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749433194 ALGKTQZSIBBARP-IBGZPJMESA-N 427.574 4.681 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749447798 OAMAUJHYUWXTOQ-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCC(=O)Nc1cccc(Cl)c1C 1749574371 SSMVTUVERODCET-FQEVSTJZSA-N 443.979 4.689 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749686673 DBTLJWXKWXYMOY-LEWJYISDSA-N 437.632 4.715 30 10 IJEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1nccs1 1751121201 AVEPWEGYOIQKOC-YOEHRIQHSA-N 446.502 4.856 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCCC2)c1 1751444065 CGDAEDNHTUFMIM-OAQYLSRUSA-N 438.620 4.513 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1760133225 XVOXLSXUAXGGMA-HDICACEKSA-N 443.389 4.612 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS[C@H](C)[C@H]1C 1760133956 VMKFQOQCMUVPKZ-RTBURBONSA-N 442.629 4.876 30 10 IJEE C#CCCCn1c(N2Cc3ccccc3[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760159575 KTDAVCQIUJRBEW-RLLQIKCJSA-N 435.572 4.543 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)Cc1ccccc1OC 1760161642 MJGUINQNFZWZSV-KJXAQDMKSA-N 438.616 4.686 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCCC1(F)F 1760214720 ZNIZPUXTJOLXJY-FQEVSTJZSA-N 433.506 4.782 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC=C(C)C1 1760316094 MGLVYZSHBLNHPD-KNKQGSTJSA-N 426.536 4.695 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1760316364 QNSHIYCNCAGDJJ-LZNRXBQRSA-N 439.560 4.850 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)CC)C1)c1ccccc1 1760418407 RVNADAPYXSLWTB-VXKWHMMOSA-N 447.583 4.701 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)CN1CCCCC1 1760456398 OEHPKFHZYDEZHM-RTBURBONSA-N 432.012 4.816 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](CC=C)c2ccccc2)C1 1760544746 GQVDBGFYLFLFSZ-GOTSBHOMSA-N 429.568 4.790 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)n1 1762214114 DDKDVQRUZXTSMC-IRXDYDNUSA-N 436.585 4.534 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)CCS1 1765246231 FBFCKHVODWJKPK-INIZCTEOSA-N 430.002 4.912 30 10 IJEE CN(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CC#N)CC1)c1c(F)cccc1F 1768470515 CRCBLEKQRNLGKU-NRFANRHFSA-N 442.558 4.647 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC1(C)C 1768633393 FYOVINQCEJOULL-INIZCTEOSA-N 439.361 4.590 30 10 IJEE COc1ccc(OC)c(CCCn2c(-c3ccc(C)o3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1770264680 FKWDRWAHMLXYJC-VWLOTQADSA-N 449.555 4.627 30 10 IJEE CC[C@H](C)OC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1858698279 MBGFIZSKPXVGHS-KBPBESRZSA-N 442.541 4.504 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1Cl 1860133720 XGDGBPTVUVKFTP-OAHLLOKOSA-N 449.894 4.879 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1 1860893257 QIVAAULGIQLDLP-FQEVSTJZSA-N 441.984 4.886 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 1860935673 LYXHALVUNIUGFC-NRFANRHFSA-N 444.595 4.992 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862402118 QVBLYBXOADPVDL-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1Cc1cccnc1 1862455941 GMUAEGHTWXGNBJ-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 1862497833 UFPLJLRNDYMBSJ-LJQANCHMSA-N 428.872 4.852 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2cccc(C)c2)cc1 1862515652 UEECOMTXGWPPNH-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2F)c1 1862556549 ZKSABJADBZXLDS-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 1862625992 RJGKMJVEKBZLME-HSZRJFAPSA-N 449.503 4.812 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(C)c1 1862673062 BFXFBGAVBHRYLP-HSZRJFAPSA-N 438.543 4.834 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(C)cc2)cc1 1862688475 YFEKIRSCRDZPQN-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(Cl)c1 1862744461 NMJXAYNCMSHLGR-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE CCCOc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862934071 LASVDSNFWHZCBH-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3ccc(F)cc3)C2=O)c1 1863447664 XRFZKCPMTHRKFH-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)c(C)c2)=C(c2c[nH]c3ccccc23)C1=O 1863495709 GCZVCEFDPABVKC-UHFFFAOYSA-N 436.309 4.617 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N(CCO)Cc2ccccc2)nn1C(C)(C)C 1869977148 BYTADRNMKPBWKY-UHFFFAOYSA-N 429.609 4.721 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC)cn1CCCCCCCC 1870331163 YVEUDRISJWPCQI-UHFFFAOYSA-N 432.605 4.715 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1cc(C)ccc1C 1870901341 FGCITYCIOVDDHD-UHFFFAOYSA-N 446.547 4.810 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H]2CCCO2)cc1C 1871251999 GFIUIVIKCDCWMT-VWLOTQADSA-N 443.547 4.707 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(Cc1nc3ccccc3[nH]1)CO2 1871347191 FNERIPYDEIAXEW-JJFYIABZSA-N 441.462 4.979 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871441646 GIMMMTOQLVKNRD-FMCGGJTJSA-N 445.446 4.970 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)nc(Nc2ccc(OCC)cc2)[nH]1 1871529239 OYOGDMPEWIUEDD-UHFFFAOYSA-N 444.583 4.577 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1871812876 AGYUUSJRGZGEQR-LJQANCHMSA-N 440.487 4.690 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871995146 RXUYMYMQJLIFIG-JOCHJYFZSA-N 428.598 4.823 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccc5cc[nH]c5c4)CC3=O)sc2C)cc1 1872796005 HXOVYSJBCXYYTO-UHFFFAOYSA-N 430.533 4.715 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2ccc(OCCC)cc2)C1=O 1873374928 MHCCJDWCZSBSSY-UHFFFAOYSA-N 434.536 4.888 30 10 IJEE Cc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccccc2F)cc1 1874436812 RRURTEHUCJMBOJ-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@H]2CCCO2)c1OC 1874446935 OIBWQKLMKPLHFG-LSCMLXDISA-N 438.553 4.630 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2ccccc2Cl)nnc1C(F)(F)F 1874461659 ZAROPJIGYWUNHL-NUGSKGIGSA-N 440.834 4.823 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C2CCC2)cc1 1874494482 OKGHUTAPYUNGEQ-MFKUBSTISA-N 449.580 4.866 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2cccc(C)c2)cc1OC 1874567155 IODOELZBMUXTQK-LFVJCYFKSA-N 440.569 4.566 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)cc1OC 1874578460 OTOODKRHDACPHN-VMPITWQZSA-N 439.689 4.559 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OCC 1874613824 PDMGNWCCNCOFHO-KPKJPENVSA-N 445.943 4.939 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 1875117971 ZEHBXEGLGYHVPN-LHHJGKSTSA-N 447.443 4.656 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCC3=CCCCC3)ncnc2n1CCCOC 1875224739 HCMNJUNVRJXEOP-UHFFFAOYSA-N 437.588 4.584 30 10 IJEE N#CC1(c2ccc(C(=O)N3CCC[C@@H](COc4cc(C(F)(F)F)ccn4)C3)cc2)CC1 1890991715 KCWHEHDGNXFCTP-MRXNPFEDSA-N 429.442 4.587 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1922069176 OQCOWZBMTNWJCL-OYDLWJJNSA-N 440.584 4.585 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930841194 TZBJGIGHQCZDTG-RLLQIKCJSA-N 429.561 4.961 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNc2cc(Br)c(C#N)cc2F)C1 1962841222 HNICOSXFOSPKID-ZDUSSCGKSA-N 426.330 4.909 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)C1 1965283411 FHUHGQMLMUQOBA-XMERXJNXSA-N 444.575 4.812 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Cl)c(Br)c1F 2035956189 QFVQUNHUEGWEKZ-CZUORRHYSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)Nc1ccc(C#N)c2ccccc12 2044095993 ORKJKJBCASDLPD-UHFFFAOYSA-N 440.544 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(CCCB2OC(C)(C)C(C)(C)O2)C1 2044522154 ISOBZDJRJVOJFK-LJQANCHMSA-N 430.398 4.815 30 10 IJEE CC(C)[C@H](CCN(C)c1cc(Br)cc(F)c1C#N)NC(=O)OC(C)(C)C 2118192205 MUSCEBPMBZXBAE-INIZCTEOSA-N 428.346 4.835 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)c1 2124523564 HWEKOYDXPDPQCJ-DZFIZOCASA-N 442.365 4.506 30 10 IJEE N#Cc1cc(N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)ccc1C(F)(F)F 2162315503 WFUQJIJWVJCHEM-MRXNPFEDSA-N 431.336 4.846 30 10 IJEE C#CC[C@H](CN(C)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1)C1CC1 2196764251 COSBSHSAEYZUCC-MRXNPFEDSA-N 435.362 4.918 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cccc3cc(Br)cnc23)C1 2197753294 MSTXHNGKLXFSPT-UHFFFAOYSA-N 432.318 4.549 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(Br)cnc3C#N)CCCC[C@@H]2C1 2198830737 XRXWDLOADQUTQG-VLIAUNLRSA-N 436.350 4.664 30 10 IJEE C=CCCCCCCCC[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2207428600 YOCGVVOHZVFJOJ-PRAQEBQASA-N 437.602 4.810 30 10 IJEE C#C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243925674 ZFFPNDZCCKDNHY-FTJBHMTQSA-N 444.575 4.810 30 10 IJEE C#CC1(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CC(C)C1 2244946109 XWGBCXRUOYKZAU-GPJADKPUSA-N 444.575 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1sc(CC)cc1Br 2262199860 LZCSTJTZXJECBW-GOSISDBHSA-N 425.344 4.988 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)cc1F 2268637550 DGMJUYYZSGXJPY-QGZVFWFLSA-N 446.328 4.623 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296219778 RHKAUJBDQOHBKA-FRYIKTPZSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2cccc(Br)c2)CC2(CCCC2)C1 2296232846 QUGWVSFTHRAATH-SFHVURJKSA-N 434.374 4.779 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC(C)C 2305319132 KFUXRBLANLBUJQ-PXDATVDWSA-N 430.589 4.801 30 10 IJEE COc1cc(C=C2SC(=NN=Cc3cccs3)N(Cc3ccco3)C2=O)ccc1O 2314819146 UDCGJFJKTMWWLO-UHFFFAOYSA-N 439.518 4.562 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccccc1Cl)c1ccccc1 2320895037 JCBADKHMGQTRNE-HNNXBMFYSA-N 439.972 4.661 30 10 IJEE CCCCc1nnc(S)n1N=Cc1ccc(OCc2ccc(F)cc2)c(OCC)c1 2321911143 GOTKTGLRNBYYJV-UHFFFAOYSA-N 428.533 4.908 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)cc1OC 2321958624 NXADCOLDYYHJGW-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(Br)cc1)C3=O 2322016508 DFSSWOFABBEMGS-UHFFFAOYSA-N 444.325 4.562 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)cc(C)c3C2=O)c(OC)c1 2323163990 YVCMIEULYCKHHA-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1OCC(=O)NCc1ccccc1 2323230262 CXGIXNPSPDPYLC-UHFFFAOYSA-N 437.442 4.565 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1Br 2323994973 XIURHQGACUTOOC-UHFFFAOYSA-N 446.341 4.567 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2324465006 KZHAIGUGHLIIDM-OAHLLOKOSA-N 433.435 4.857 30 10 IJEE CCCC[C@@H](Oc1cc(C)c2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O)C(=O)O 2324781214 TTXGSRDQZMKADJ-GOSISDBHSA-N 426.465 4.651 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1ccc(OC)c(OC)c1)C2=O 2325044634 OVYPOYORRVTXED-UHFFFAOYSA-N 440.492 4.741 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OCC)c(OC)c1 2325549724 QUUAGXZBWQNJJE-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE O=C(C=Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(I)cc1 2325566750 XTILPNRGVXJNMG-UHFFFAOYSA-N 445.178 4.531 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1N=Cc1ccc(O)c(OC)c1 2327976879 ZWVJMCWKOSHWDD-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(OC)c(OC)c1 2328904107 DHNWLYNLEFFYTB-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE Cc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1cccn1C 2329312327 KEMIZGZONNNIKG-UHFFFAOYSA-N 431.565 4.816 30 10 IJEE CSCC[C@@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 2329611353 WMBZRJTXLBMOBV-XMMPIXPASA-N 447.604 4.845 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(OC)c1OCC 2329740882 DUWMHVWWGBJQNA-UHFFFAOYSA-N 440.544 4.966 30 10 IJEE COC(=O)c1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccco2)o1 2330100139 JXHUNFAMRIXZNA-OAHLLOKOSA-N 436.493 4.577 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1C 2330854625 SFYWSRMSCPGNMM-FQEVSTJZSA-N 430.884 4.646 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccccn1 2330895955 LKPKFWLRGDAMBR-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2N=Cc2ccc(F)cc2)nc2ccccc12 2331086430 GVRGBKBJCVNIGI-UHFFFAOYSA-N 448.527 4.898 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331413971 WXVYTFHPQRVQLO-NRFANRHFSA-N 438.520 4.982 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@](C)(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339590065 HRWRLMXBRRWMLI-XZMJRDFISA-N 444.381 4.798 30 10 IJEE C=C[C@@](N)(Cc1ccc(I)c(Br)c1)c1ccccc1 2349826528 FVFVUJVKQNHNIE-MRXNPFEDSA-N 428.111 4.636 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@@H](N)C#Cc1ccccc1Br 2358952353 RTXSZPPBIYKLNZ-FRYIKTPZSA-N 433.390 4.696 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[C@H](N)C#Cc1cccc(Br)c1 2360194182 JWMICAPUYOOPTD-OJAHFUOMSA-N 433.390 4.696 30 10 IJEE CCCCCC#CC[C@@H](NC)[C@@H](O)c1sc(Cl)cc1I 2366645449 KZLKPNTYTUBQKT-TZMCWYRMSA-N 425.763 4.601 30 10 IJEE CCCCCC#CC[C@H](OCCN)c1sc(Cl)cc1I 2366686693 BSISSXPPVVQJIO-ZDUSSCGKSA-N 425.763 4.996 30 10 IJEE COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2OC)ccc1O 33321113 GOQWCUPDBBHCNV-IQMFZBJNSA-N 432.476 4.664 30 10 IJEE O=C1/C(=C\c2ccc(Br)cc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 37857977 XBOGQYLMSWPHOU-UFFVCSGVSA-N 449.304 4.812 30 10 IJEE C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCN(C(C)C)C3 39869591 IAUNRHXKIIIXDY-UHFFFAOYSA-N 427.595 4.500 30 10 IJEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1ccc(OC)cc1 40219821 KWFCETTWYAMYKE-UHFFFAOYSA-N 435.568 4.919 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(N(C)C)cc2)C4=O)cc1 41663195 UNXAJBJLKSEFPH-QFEZKATASA-N 442.515 4.730 30 10 IJEE Cc1ccc(C)c(NC2=C/C(=N\S(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)c1 103746523 RUGYFTWKVAIBTP-HPNDGRJYSA-N 434.492 4.813 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)c1 169929051 KOCINRYIFYCFEG-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc(Cl)c1OCC 169937943 CKGOSJUDBAYCBJ-LJQANCHMSA-N 430.957 4.813 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)cc1 169959598 WIFRCVQAOGZNTD-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccs2)cc1 169988847 OAZBWTKNJMVQSP-QHCPKHFHSA-N 433.529 4.854 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc2ccccc12 170044252 SYMMUSSWKNRQKM-KOSHJBKYSA-N 443.499 4.606 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccc(O)c2)cc1 170080364 PSWZSQUVNHNYCE-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCO2 170131431 FZLJVAULRPSFGI-HSZRJFAPSA-N 445.446 4.639 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCN(C)C)c1 170146175 LCNPGLCHGVFIDL-XMMPIXPASA-N 428.532 4.678 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1OC(C)C 170150955 JJPXVZUZXXBJBR-JOCHJYFZSA-N 437.492 4.581 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccnc2)cc1C 170190149 FCJXTJNLOCJPRB-QHCPKHFHSA-N 444.487 4.586 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1C(C)(C)C 170229791 MLKJGSWMEVYVRL-CVDCTZTESA-N 449.547 4.750 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccccc2)cc1C(C)C 170231628 VUQNZYWQKIURAT-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1C 170276483 SNNSQELBOIQNJD-QHCPKHFHSA-N 434.580 4.741 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccco1 170288657 JDBJCQPDMFZKSU-IBGZPJMESA-N 438.823 4.933 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(OC)c(O)c1 170321844 OHTXARBTALIYHF-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc(OCCCO)c1 170325349 ASFBMYQLRGDCLU-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170379017 GVZFDSRGXUZSBS-HSZRJFAPSA-N 442.471 4.717 30 10 IJEE CCOCCN1C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)SC1=Nc1ccccc1 252627144 RNMFSXGIINYFAT-ZINKLTMQSA-N 433.533 4.823 30 10 IJEE O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1 254623495 MFOLYMFHYVBCPJ-SUOSWRNOSA-N 445.544 4.920 30 10 IJEE C[C@@H](NC(=O)c1ccccc1NC(=O)CON=Cc1ccc(Cl)cc1)c1ccccc1 255025440 HPRMIPAYPFLZIN-QGZVFWFLSA-N 435.911 4.820 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCC 406599745 VQFSWELRMQSMOA-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 508474940 WTOJPOFLFNOYDM-SFHVURJKSA-N 428.993 4.756 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 508935542 OCIWDJLDTJGWBR-FQEVSTJZSA-N 428.895 4.510 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cccc(Cl)c1 526828037 UGQAAPFXFCYTRX-QRVIBDJDSA-N 428.945 4.845 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 554881317 IGZVAVPTCRLFQI-UHFFFAOYSA-N 446.482 4.598 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 559028100 OWTZVKOQPYDURM-GOSISDBHSA-N 425.602 4.944 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)OC2CCC(NC(=O)CC3CCCCC3)CC2)cc1 586509479 VFIFOXTWHKWZGI-UHFFFAOYSA-N 437.602 4.577 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@@H]1CCCN(c2ccc(F)cc2C)C1=O 604931073 CPMYPDGNBAVFLU-OAQYLSRUSA-N 436.556 4.790 30 10 IJEE Brc1ccc(N=C2N[C@H](C3CCC3)CS2)cc1I 717648155 DKCZBLNQGKIYDC-LBPRGKRZSA-N 437.144 4.546 30 10 IJEE CC(C)CCOc1ccc(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1 746036482 AXJQXDLBHSTANU-UHFFFAOYSA-N 447.560 4.967 30 10 IJEE COc1ccc(CNC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1C#N 775994475 ISPOYXNTKCXRTM-MRXNPFEDSA-N 431.336 4.688 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC(C)(C)CC(C)(C)C1 802570366 QALQJEVZRUOUSS-UHFFFAOYSA-N 425.577 4.543 30 10 IJEE COc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccc(O)c(C)c3O)n2)cc1 1081805996 SXQMMCLCDWYHTM-UHFFFAOYSA-N 426.476 4.985 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C\c3ccccc3)n2)cc1 1084247979 ITQOQXCZJSQBQD-FEXFLLFCSA-N 434.569 4.944 30 10 IJEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3ccccc3Oc3ccccc3)n[nH]2)o1 1084317849 LNYAVSWNBKHNOI-UHFFFAOYSA-N 448.508 4.675 30 10 IJEE CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1=O 1125086784 CBQKSRVLLDXBKK-QFIPXVFZSA-N 439.515 4.691 30 10 IJEE CCn1c(NC(=O)COc2ccc3cc(Br)ccc3c2)nc2cc(C#N)ccc21 1127748554 GGJIOAJOUDFALT-UHFFFAOYSA-N 449.308 4.861 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2F)cc1Br 1128703685 VCDPFXONXSAJBO-UHFFFAOYSA-N 428.305 4.992 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)c1cccc(Cl)c1F 1138685775 LXZBYZRLZJMYFA-OAHLLOKOSA-N 433.351 4.909 30 10 IJEE C#CCN(C(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1155359580 VVXWWCXZHOIPJA-UHFFFAOYSA-N 449.595 4.877 30 10 IJEE Cc1ccc(C2=NN(C(=O)CN(C)[C@@H](C)c3cccc(C#N)c3)[C@H](c3ccco3)C2)cc1 1171399396 GZTQUOUSEBFDER-CYFREDJKSA-N 426.520 4.830 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 1183977901 QVCVLHPJVLFCGL-NQIIRXRSSA-N 447.000 4.683 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F 1186056821 HEVCQVCKARIDFB-UHFFFAOYSA-N 428.888 4.660 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 1199786814 IXHFHWBINAILKA-KRWDZBQOSA-N 435.446 4.941 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1200402500 IDBIIYSNOXOJRA-NRFANRHFSA-N 442.441 4.926 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 1205752171 IAWSOMZZFJCBFU-UHFFFAOYSA-N 444.572 4.501 30 10 IJEE C=CCCC1(CNC(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)CCCC1 1215026777 OXOLJLKMBQIQOY-UHFFFAOYSA-N 434.480 4.637 30 10 IJEE C=CC[C@H]1CCCN(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)C1 1220569832 QLTHOTSNLOBLOJ-QHCPKHFHSA-N 432.612 4.507 30 10 IJEE C=CCc1cc(CNC(=O)N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc(OC)c1OC 1221553895 WGYAWURXPMKYNC-DHIUTWEWSA-N 438.568 4.820 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)C1 1248677097 VAOJIPCDHBSIKS-GOSISDBHSA-N 434.411 4.687 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1C(=O)Nc2c(Br)cccc21 1264208379 BIXXPGSBYDXINO-CYBMUJFWSA-N 439.762 4.805 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(C=C)cc1 1286368977 XITBEXARLYOJBY-UHFFFAOYSA-N 427.371 4.724 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@H](C)c1ncc(C)s1 1286458484 VQJBFEMFVZTDOU-QGZVFWFLSA-N 425.577 4.824 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ccoc1C 1286542497 AHVHKAPHVMTTFQ-UHFFFAOYSA-N 440.345 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1286560807 JBYCUWUNPDFZIE-NBCNXNJRSA-N 439.510 4.797 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccc(OCC)cc1 1286598716 APUDIIGXNYRPGN-DNVCBOLYSA-N 444.486 4.913 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1286629801 IMUVUJSSCJYQJB-KRWDZBQOSA-N 431.968 4.909 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1286678541 ZBNKJWLUGCQJFR-FYYLOGMGSA-N 433.600 4.895 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286693961 HAVVWSHPOOSUMX-CPJSRVTESA-N 437.588 4.577 30 10 IJEE C=CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@H](OC)C(F)(F)F)C1CC1 1286738232 WFAZZIUHKYOGKU-IBGZPJMESA-N 447.461 4.722 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2cccc(F)c2[C@@H]1C)C(C)C 1286751956 OYBJKBNUOUXLHS-SIKLNZKXSA-N 425.596 4.802 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1ccccc1Cl)N(C)C 1286752734 GGLVEOVJSPXIDY-HXUWFJFHSA-N 425.964 4.981 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(C3CC3)[C@H](C)c3ccc(Cl)cc3)ccc2c1=O 1291801564 MCDOKMBYGVEZFS-CQSZACIVSA-N 439.968 4.890 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 1294976644 LMBYZWCYOMAYRA-PKTZIBPZSA-N 436.552 4.598 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2C)C2CCC(C)CC2)cc1 1300233608 QEXMECRUCKXHPS-SCPLRKQGSA-N 440.609 4.757 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@@H]1C 1300339670 QUIMAMAKMFDFMO-OALUTQOASA-N 430.980 4.717 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H]1C[C@H](F)C1 1300595220 JEGMFWLNUPMMIF-UAPYVXQJSA-N 430.980 4.825 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1300776482 LDLHVWQHTTWLLH-HDICACEKSA-N 433.046 4.682 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C)CC1 1300895642 UGCWUZVRCYDLRO-AHJNKEMKSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[S@@](=O)C(C)(C)C 1300901531 ZURKNKWQOWMVHF-PKHCJMHPSA-N 446.661 4.985 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC2(CCC2)C[C@H]1CC 1300980763 NPDADEBWLLDWTK-HXUWFJFHSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1301091980 QOERGOXDGQRHNB-YADHBBJMSA-N 438.616 4.996 30 10 IJEE COCC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@@H](C)CC#N)CCCCC1 1301146617 DGDVNLQKDQTHSU-NRFANRHFSA-N 439.604 4.809 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(C)C)C1)c1ccccc1 1301167646 DAPHKSHMJXCNJN-DNQXCXABSA-N 432.616 4.982 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2OCC)CC1 1301189702 ZUNICJPVQRXFKR-UHFFFAOYSA-N 425.621 4.948 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301198573 MXGZJWLCXQXIMK-RTWAWAEBSA-N 425.646 4.908 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](CCC)OC)C1CC1 1301320506 GLNBBYKYGPGXAC-MRXNPFEDSA-N 437.357 4.817 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCOC1 1301405180 AXJYGFGGZOMLTC-SFHVURJKSA-N 426.948 4.853 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC2(CCCC2)C1 1301611201 JDMMPKTVOFXKHB-UHFFFAOYSA-N 433.021 4.591 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H](C)C#N)C1 1301956252 HGQIHYCYGAWLHH-OTWHNJEPSA-N 429.012 4.562 30 10 IJEE CS[C@@H](C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@](F)(C#N)C1 1302540425 GXIWNFOGJMXJDA-QKKBWIMNSA-N 442.589 4.571 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1Br)[C@H](Cc1ccccc1)C(=O)OCC 1307685109 RVZXPKHTABPMFQ-LJQANCHMSA-N 447.329 4.520 30 10 IJEE COc1ccc(CC[C@@H]2CCCCN2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC 1308597420 FJBBADWSXHKJDN-DEOSSOPVSA-N 444.579 4.963 30 10 IJEE C=CCCSCCNC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1312978340 XBVOOTAKUUMKTH-RBUKOAKNSA-N 425.639 4.507 30 10 IJEE C=CCCC1(CNC(=O)NC[C@@H](CO)Cc2ccc(C)c(Br)c2)CCCC1 1313005456 UQHYRPABKRZNOU-IBGZPJMESA-N 437.422 4.734 30 10 IJEE C#CCN(C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCCc2ccccc21 1313316896 GVYKLNUXMZEATC-QFIPXVFZSA-N 427.470 4.616 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2sc(-c3ccccc3F)nc2C)c(C#N)c1C 1347719958 HNARAQYYMSBRGA-UHFFFAOYSA-N 429.498 4.928 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c(OC)c1 1350141060 RWALMNPICHEUMT-OALUTQOASA-N 437.536 4.811 30 10 IJEE CCOc1ccccc1Oc1ccccc1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1354679922 CYAHDCJEFVDURA-UHFFFAOYSA-N 439.475 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@H]1CCCCO1 1358879883 ZZLUHKUUNGXQJN-PKOBYXMFSA-N 445.405 4.823 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1358918047 JNFUCJBLESSVSI-KZNAEPCWSA-N 426.527 4.779 30 10 IJEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccsc1)N(CC)CC 1358945654 PHEVWZHPVCUGBA-QHCPKHFHSA-N 446.624 4.651 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1359125907 YHLAUMMPYJTEBT-UIVXKWKOSA-N 427.420 4.793 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccccc1F 1359137053 CSJIRBNASXMZGC-IFMALSPDSA-N 444.595 4.955 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1359180436 FNKPVQGMHAFLGC-UHFFFAOYSA-N 436.478 4.938 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](N2CCCCC2)C1 1359191047 LQSBBOXCKNQDDD-QFIPXVFZSA-N 437.632 4.567 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1359195193 IQZCNEWYXMNBCM-TZIWHRDSSA-N 449.565 4.909 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@H](C)C1 1359198812 BTKGKLUPBOZTPU-GASCZTMLSA-N 437.357 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCOc1cccc(F)c1 1359263040 NRASYBRMZNAENE-UHFFFAOYSA-N 437.544 4.756 30 10 IJEE COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1C#N 1438709167 CQVQWYKWCIPUQK-LOSJGSFVSA-N 425.532 4.730 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC(C)C)c2ccccc2OCCC)c1 1445391183 MFKIGINEJKWYGP-HSZRJFAPSA-N 441.593 4.790 30 10 IJEE CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1448055971 AZPGCDVUAVQKQW-QHCPKHFHSA-N 449.551 4.513 30 10 IJEE C#C[C@H](NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1F 1449317221 LDLXRVGYVGKPHB-YWZLYKJASA-N 436.955 4.943 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1457716198 ZXUJXAJURILNLD-HJPURHCSSA-N 429.586 4.689 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)C(=O)OCC 1458824793 ODYVFCWWVLUIFN-UHFFFAOYSA-N 440.590 4.597 30 10 IJEE C=CCN(C(=O)c1cnc(Cc2ccccc2)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1458997202 KHSASYQPKABKKY-NRFANRHFSA-N 434.561 4.537 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1OC 1461688489 VYTFNMBRBWFBFY-QGZVFWFLSA-N 439.314 4.601 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1465410424 FBQDLQBOFAHSHI-JXFKEZNVSA-N 447.457 4.979 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCN(Cc4cccc(F)c4)CC3)cc2)c1 1465608334 GTFRMGMYWCPJNB-UHFFFAOYSA-N 430.483 4.839 30 10 IJEE CC(C)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1466867525 CGCFJHOLIVQZFP-LJQANCHMSA-N 442.972 4.741 30 10 IJEE CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1c(C#N)cnc2c(Cl)cccc12 1472663482 CJJUKNVSMDRQGQ-OAHLLOKOSA-N 435.833 4.655 30 10 IJEE C=C(C)[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1472763703 VWUWPHZHVULLGD-MRXNPFEDSA-N 436.358 4.896 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 1476568149 QJBJGLYOTFQLSJ-UHFFFAOYSA-N 434.399 4.760 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCO[C@H]1CC(C)C)[C@@H]1CCOc2ccc(Br)cc21 1478500495 YKNKALUBRFYHKJ-SBHAEUEKSA-N 449.389 4.511 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(SC)CCC2)C1 1497581790 FELCSXURMVYVOV-JOCHJYFZSA-N 425.602 4.641 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCO[C@H]1CCCC[C@@H]1C 1507668901 ODCRXBAXFLOYLH-URXFXBBRSA-N 441.579 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1507911002 HEVKRJKXFVKQPP-UHFFFAOYSA-N 439.604 4.820 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 1507925114 ZDXMMCHXWAPKGU-DBXWQHBBSA-N 437.975 4.967 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)OC[C@@H]1C 1507941383 FPNDSJCIQYBCEB-ZDUSSCGKSA-N 425.396 4.739 30 10 IJEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1507944680 UTSCJMDDTWVDFX-SFHVURJKSA-N 430.666 4.834 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1507952802 CASXKWVVDHAVAK-BHIFYINESA-N 442.579 4.880 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(Br)cn2C)n1CCC 1507998946 GXBKCNAXEWIZAD-UHFFFAOYSA-N 439.361 4.520 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1508005932 CEYJJANUQDMCTP-LJQANCHMSA-N 435.597 4.709 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@H]21 1508153384 ZCPFYIMVRZHDPU-NWSQWKLXSA-N 425.646 4.769 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1518562725 GEBHAUTWSSKXAH-LYLBAIIYSA-N 431.943 4.683 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1oc(C(=O)OC)cc1C)c1ccc2c(c1)OCO2 1521284645 WBDSDGZIYLLSBD-UHFFFAOYSA-N 449.459 4.515 30 10 IJEE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CC)c1 1523416955 HLJHNBBTGHSPGP-HNNXBMFYSA-N 440.487 4.615 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc(F)cc1 1528464246 ZVGUZWIOONEGMC-SFHVURJKSA-N 429.314 4.745 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1529665521 DAKHSBGDMMNZHD-NIYFSFCBSA-N 433.552 4.656 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](CC)OC2CCCCC2)c(C(=O)OCC)c1C 1532545488 RJQQRITVTVXDPV-INIZCTEOSA-N 437.558 4.642 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](COCc3ccccc3)C2)s1 1532836561 CUGNLSWRPHSJPU-GOSISDBHSA-N 437.030 4.904 30 10 IJEE C=CC[C@H]1CCN(C(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1533764800 ZFYRMSZZESMXIM-KRWDZBQOSA-N 427.342 4.669 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1533767857 WQZQXFRIIPUNRS-ADSBAMQRSA-N 446.491 4.598 30 10 IJEE C=CCCC[C@H](C(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 1535567177 OIYBPRDTCDWDAS-SFHVURJKSA-N 430.342 4.977 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCC(C)(C)C)CC1 1539431632 TXSUPWZBHCNGCT-QFIPXVFZSA-N 437.632 4.616 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(C)cs1 1539586769 PARPQLGRONDSFK-UHFFFAOYSA-N 438.782 4.908 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(C)C 1539629421 XFOUSIRKLDEIIQ-REWPJTCUSA-N 434.588 4.594 30 10 IJEE C=C(C)Cn1c(N2CCC=C(c3ccccc3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733927 URDVZDKLHLSWIX-SZPZYZBQSA-N 449.599 4.919 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ncc(CC)s1 1539820247 DEUWJWBPIQSDMZ-UHFFFAOYSA-N 431.993 4.827 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C#N 1539916756 NCIUUJSWFVCYRQ-SFHVURJKSA-N 444.624 4.591 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539926018 GJPCEPPJVKOGBX-JOCHJYFZSA-N 432.616 4.783 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)c1ccccc1 1539940918 XATFMWIPFZMIRV-PQNGQFLHSA-N 432.616 4.954 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1539948785 RYBDCEZFOOODBV-UKILVPOCSA-N 449.643 4.675 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1539953179 ONUTVFJHHUOSFE-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCCC)CC1 1539976632 BAQUSNWHQMYXJH-JOCHJYFZSA-N 439.604 4.899 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1539989039 NNCKTZAPAKZULT-IBGZPJMESA-N 427.911 4.677 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CCC 1540127871 HJVKKMPKWQTWEM-QHCPKHFHSA-N 434.632 4.805 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1[C@@H]1C[C@H]1C(C)C 1540128326 LDAPZGZQFMICQQ-FCHUYYIVSA-N 432.597 4.915 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C 1540152466 VQXLWBFFUOUJQC-KCZVDYSFSA-N 431.694 4.965 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H]1C(C)C 1540180197 JKTKPBRHZJSFMK-NOZRDPDXSA-N 445.611 4.945 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)c1 1540702525 QCFZUPKMMDHQMV-DEOSSOPVSA-N 425.594 4.809 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C2CCCCC2)C[C@H]1C 1544331087 BVGKGVDBVVJVBL-LEWJYISDSA-N 434.632 4.954 30 10 IJEE C=CCC1(C(=O)Nc2nc(C(F)(F)F)c(I)s2)CCCC1 1544901206 ODOBEEHZRNLZEU-UHFFFAOYSA-N 430.233 4.842 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1C[C@H]1CCCCC1(F)F 1555545015 ASLWQERASBALTI-HXUWFJFHSA-N 429.515 4.506 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(Cl)c(Br)c(OC)c1N)c1ccccc1 1558718558 KPRKAPLRLXBRON-VWLOTQADSA-N 443.750 4.547 30 10 IJEE C=CCOc1c(Br)cc(CNCC[C@H]2OCCc3ccccc32)cc1OC 1560601922 UOWWFTJXOYQPNJ-HXUWFJFHSA-N 432.358 4.816 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(N(C)C)ccc1Br 1561065907 BVXDSPPVZBQBTA-UHFFFAOYSA-N 449.823 4.607 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(F)cc3F)C(C)(C)C)ccc2c1=O 1566410523 DKIXKFGIIPRCPY-LJQANCHMSA-N 443.519 4.667 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 1567590420 YMCIMUVEBZQUAY-RDTXWAMCSA-N 443.371 4.526 30 10 IJEE COc1ccc(-c2nnc(NC(=O)c3cccc(COc4ccccc4C#N)c3)s2)cc1 1583837826 HYQWYEXSMCCCBS-UHFFFAOYSA-N 442.500 4.917 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CSc2ccccn2)c1 1583923991 LMTZFZLPWUMHSI-LJQANCHMSA-N 425.554 4.619 30 10 IJEE Cc1csc([C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C(F)(F)F)n1 1583973682 CDSJIRLGLMAEEB-GOSISDBHSA-N 431.439 4.936 30 10 IJEE C=CCc1cc(C(=O)Nc2ncccc2C(=O)c2cccc(Cl)c2)cc(OC)c1OC 1585116918 AIJGQXRWPRJOBK-UHFFFAOYSA-N 436.895 4.964 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1csc(C)c1 1587575267 SAOXNHZTROAWSN-GFCCVEGCSA-N 433.350 4.723 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOC(F)(F)F 1587586271 LSIPHUKUYCWNPM-UONOGXRCSA-N 426.508 4.516 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCC1CCOCC1 1587592386 BFSLNXZCALDAHD-HXUWFJFHSA-N 448.567 4.782 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCCN1C1CC1 1587677081 BWWFSDBHZCXRMI-FXAWDEMLSA-N 444.048 4.699 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(C)(F)F)cc1 1587677993 NUZJKCONKAQFHS-PWIZWCRZSA-N 430.543 4.815 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](COC)C1 1587705341 BLZHJWBADJOWSB-VQTJNVASSA-N 428.552 4.614 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@]2(CCSC2)C1 1587818179 RYDYCNBJUPONGF-HXUWFJFHSA-N 449.393 4.594 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(CC)s1 1588099513 OZXZXUUFUMCDCF-QGZVFWFLSA-N 434.634 4.876 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1588200643 YHATXZNWOVUSTQ-ROUUACIJSA-N 449.908 4.825 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1588241178 LTYVKPJLWIHXPU-GOSISDBHSA-N 438.984 4.514 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC1 1589007720 PEHJFFTULXLLJS-UHFFFAOYSA-N 439.810 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CCCOc1ccc(F)cc1 1589528172 CZURGBUNRFDMHL-KNQAVFIVSA-N 428.552 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCN(C2CC2)C1 1589600286 ZQJDCOVLRROHMC-OALUTQOASA-N 444.023 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)SC 1589657573 GHGUHNWLTAQIPH-QZTJIDSGSA-N 437.654 4.547 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](C(=O)OC)C1 1589715176 FPWDPDHBGZGLHN-CQSZACIVSA-N 430.961 4.779 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1594739257 QMMHVMUDFDCCDH-RTWAWAEBSA-N 430.543 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1595200760 PKGPTLCSSYRAJL-WIOPSUGQSA-N 432.572 4.657 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1595218771 NKIBKNVWDIHZDQ-UHFFFAOYSA-N 429.609 4.612 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCn2cc(C)nc21 1595228763 IAQZZCFQGAYSQW-JOCHJYFZSA-N 446.599 4.735 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN(C(C)C)C(C)C)c2ccccc2n1 1611933439 FCYCCWFSDNRWMX-HXUWFJFHSA-N 433.604 4.659 30 10 IJEE Cc1csc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)CC#N)n1 1612359557 AWONVIGXTHGTQK-DZOHQFGASA-N 430.622 4.504 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC#N)CC1)OC 1613125547 FEOJAJXBMMGKHS-FDDCHVKYSA-N 447.587 4.526 30 10 IJEE Cc1sc2nc(CS[C@@H](C)C(=O)NC(C)(C)c3cccc(C#N)c3)nc(O)c2c1C 1617379296 VPTMNTCKQBLPQK-AWEZNQCLSA-N 440.594 4.559 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCCC2)CC1 1620356522 ANBUNDSIIPLJPH-UHFFFAOYSA-N 434.371 4.687 30 10 IJEE O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N[C@H](CCO)c1ccccc1F 1623899906 GUYUZKHVTOHXPY-CVEARBPZSA-N 438.343 4.871 30 10 IJEE C#C[C@@H](NC(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1)c1ccc(Br)cc1 1625078390 XEAOANNQUJPUHH-HXUWFJFHSA-N 442.353 4.938 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)CCCCC1 1625187286 GWTUKSQONDCDIG-UHFFFAOYSA-N 439.581 4.952 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c1 1625497036 OUXGUDXYJPNTGJ-UHFFFAOYSA-N 443.732 4.997 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)ccc1OC 1625887520 FREYNVDQQKGNQB-AWEZNQCLSA-N 448.401 4.858 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C2CCCCC2)n1 1630969474 FZCCJEGXMBASJY-QHCPKHFHSA-N 426.992 4.893 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 1633905594 MUQRGKMVROSACQ-PCCBWWKXSA-N 432.561 4.557 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327752 TZJNOQRJQZMBKC-FQEVSTJZSA-N 442.600 4.747 30 10 IJEE C=C(CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1638443605 DJNRNKXCCAPURC-UHFFFAOYSA-N 426.925 4.584 30 10 IJEE C#Cc1ccc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)c(Cl)c1 1639821340 DKIUDQVXFRMYGH-NRFANRHFSA-N 435.911 4.666 30 10 IJEE C=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(Cl)c1)C(=O)OCC 1640686529 XKDSMZFJJGMWNX-UHFFFAOYSA-N 435.332 4.904 30 10 IJEE C=CCC1(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CCOCC1 1641024273 STXXYCXTQGRNEF-UHFFFAOYSA-N 439.943 4.510 30 10 IJEE Cc1ccc(-c2noc([C@@H](C)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)n2)cc1F 1642944432 ARIUPVOEOZBEOK-IIBYNOLFSA-N 439.922 4.781 30 10 IJEE C=C(C)CCSc1nc(C[C@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1651765390 FWKJSMHWUYWMCD-YESZJQIVSA-N 428.602 4.585 30 10 IJEE C#CCN(CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCc2ccccc21 1653214220 CLKLEASPSRQKEW-IAPPQJPRSA-N 426.535 4.996 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cc(F)c(F)cc1Br 1657921019 CWMPJVPQEWEGNX-UHFFFAOYSA-N 445.101 4.792 30 10 IJEE COc1cc(Br)c(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1OC 1666369950 BHVSRYDPMHJUGG-MRXNPFEDSA-N 430.302 4.537 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)c1ccc(Cl)cc1 1667024143 WMQBMXUGYDSAIX-INIZCTEOSA-N 429.705 4.784 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1)c1ccc(F)c(F)c1 1667220577 BHMGZSDAKNSXBC-OAQYLSRUSA-N 440.450 4.766 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)CCCC1(C)C 1667570887 NOCDSRLCTZEFSU-NRFANRHFSA-N 433.618 4.768 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)OC(C)(C)C)cc21 1673311416 HZENPPSTONNQGP-IFMALSPDSA-N 447.539 4.535 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(F)c2F)CCCC1 1686107259 DANWCABFARWIET-UHFFFAOYSA-N 427.495 4.506 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC2(CCOCC2)C1 1689877399 YGSWHVFPEKEVMX-QFIPXVFZSA-N 436.600 4.845 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC)CCC 1689888759 QIBSFZGVSMODIA-FQEVSTJZSA-N 431.625 4.823 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCCN(C(C)(C)C)CC1 1689903965 FWPLPGIMHLGVKU-UHFFFAOYSA-N 437.632 4.534 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1c(Cl)cccc1OC 1689951171 NLYXNIKMKCRFAQ-OAHLLOKOSA-N 441.000 4.911 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCc1coc(-c2ccc(C)cc2)n1 1690081241 BRSRMBWVFYNDHY-UHFFFAOYSA-N 431.565 4.596 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCCN1CCC[C@@H](C)C1 1690088274 HDKTUCWNFNMADN-OAQYLSRUSA-N 425.596 4.693 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1690119534 IQZGNLPYFYQKOC-GOSISDBHSA-N 447.961 4.569 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CC 1690222307 QZIDZFUTDCIRSR-UHFFFAOYSA-N 428.172 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC(C)(C)C1 1690249103 TZXCRZJRSSRXKO-JTSKRJEESA-N 430.543 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(F)cc1F 1690251460 VOANUNDXGJAYLD-CVDCTZTESA-N 430.543 4.907 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1690365854 IYPBXUZYTCTHGB-RTBURBONSA-N 444.023 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690439394 DTXWQNQDACJAQG-GBESFXJTSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1690439502 HJZSQDXJHARXIZ-OAQYLSRUSA-N 440.519 4.769 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1Br 1690450018 XQXLCDLQUDEGJM-UHFFFAOYSA-N 443.393 4.672 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690464786 KKFGCEPLPONAHT-WOJBJXKFSA-N 433.641 4.963 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 1690465262 WESIQLYVDGRAGV-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690493531 KRWQJGLFSPILOK-XMMPIXPASA-N 442.629 4.619 30 10 IJEE C=CCCCn1c(N2CCC[C@H]3CCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690496133 KWCJVPAQHLYKFB-ZRNYENFQSA-N 429.609 4.784 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(OC(C)(C)C)nc1 1690520385 UPJVDGMTLVNNOL-UHFFFAOYSA-N 441.963 4.850 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCCN1CCCCC1 1690558108 FEONYIDODGMAEO-UHFFFAOYSA-N 444.583 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)s1 1690571733 HNLYRARKPFLWCC-INIZCTEOSA-N 432.952 4.877 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690611392 KRTMQBRRDWCBNM-ROUUACIJSA-N 438.494 4.886 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CC)[C@H](C)C1CCC1 1690664428 RXBQETXAYHJTDC-CQSZACIVSA-N 436.387 4.569 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CC(C)(C)OC[C@@H]2C)cc1 1690681470 QVOGXYZZVUFVKB-SFHVURJKSA-N 438.597 4.547 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1692879556 HZJHKUCDIDLRJD-SJLPKXTDSA-N 444.352 4.834 30 10 IJEE Cc1nc(C)c(CCn2c(CCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1693335489 DBUZBCHVEGCDLR-DEOSSOPVSA-N 434.613 4.509 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1cc(OC)ccc1OC(F)F 1694050474 HJQVZAGMNKMCNJ-OAHLLOKOSA-N 433.503 4.580 30 10 IJEE CCOc1c(Cl)cc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)cc1OC 1696101183 BIXQQSSQGUGPIQ-HNNXBMFYSA-N 433.984 4.572 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@H]1C 1705477836 SMKGOZVGRSSRAK-ZCNNSNEGSA-N 444.023 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(COC)c1 1705481595 JNZSTTCLCAKOTF-ROUUACIJSA-N 434.609 4.784 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cc2ccccc2[nH]1 1705545653 IRRVVNMAAYKPHJ-UHFFFAOYSA-N 440.370 4.563 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC(F)(F)C1 1705576284 IVWMTRNWLSLKOI-KRWDZBQOSA-N 428.552 4.784 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@H](SC)C1 1705658054 ALRSXKCWVUNHDF-SFHVURJKSA-N 439.654 4.525 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1705674094 ZBLMZKQXOGTYIM-ISJBWFOZSA-N 437.607 4.834 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCC1CCC(OC)CC1 1705677259 HUPOXJLOJMVXSX-BPOAOHNVSA-N 440.563 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(C)C)CC1 1705701797 ISKUEHRXABJBPB-DHLKQENFSA-N 438.616 4.731 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1705770136 RSDHZAJDZLXFPZ-UHFFFAOYSA-N 435.547 4.785 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1705794218 ZLMYDQYEWVLAIA-QFIPXVFZSA-N 440.632 4.926 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(F)(F)CC1 1705826808 KDBHYJDUEJUMPV-INIZCTEOSA-N 436.572 4.960 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1cn(CCCC)nc1C 1705838838 DNANRCUTUWBJTI-UHFFFAOYSA-N 443.393 4.683 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N(C)Cc2c(C)nn(C)c2C)cc1 1705911119 YTMZKHYAOMEEBX-UHFFFAOYSA-N 448.615 4.611 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccccc2Cl)N(C)C)C1 1705925673 SKWNJYHZJDDRGG-SIKLNZKXSA-N 444.023 4.673 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCCN1CCCCC1 1722287814 TXZVWLKQSWUADG-NRFANRHFSA-N 430.600 4.607 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722329004 AXARLEJIQJWNHI-FCHUYYIVSA-N 437.632 4.702 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(CC)s1 1722347373 HNMWXZPWQRNUNF-UHFFFAOYSA-N 433.350 4.588 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722590822 JHHIWKDKTZOYGW-QINHECLXSA-N 427.420 4.795 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(F)cc(F)c1 1722625054 JXPMGUYQPMZNAQ-UHFFFAOYSA-N 433.890 4.501 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCc2ccc(O)cc2C1)C(C)C 1722666313 QMNJHQNHROYBMV-XMMPIXPASA-N 435.616 4.513 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1722685968 PCPVNLGNGLEHOU-QRVBRYPASA-N 449.665 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CCc2csc(-c3ccccc3)n2)C1 1722719552 VWJVTUBTRMRRKA-OAQYLSRUSA-N 437.613 4.624 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCO[C@](C)(C(C)(C)C)C3)nnc2C(C)(C)C)cc1 1722731905 NPYHEYRWICHSKR-VWLOTQADSA-N 426.605 4.830 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(F)(F)Br 1740539206 NXMBJPIJIAXBMK-GFCCVEGCSA-N 443.361 4.721 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1740571201 XMTYFLNDTGNSMW-LPHOPBHVSA-N 443.389 4.899 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1740577121 SBFPORQSGIBGFR-VWLOTQADSA-N 441.019 4.652 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740579675 MUWJSJZOUZJWGJ-JRGCBEDISA-N 445.032 4.889 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](c2ccco2)N(C)C)CC1 1740824529 NPMHJCRMQMQPGZ-UYAOXDASSA-N 439.535 4.610 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(F)(F)F)cc1C 1740855311 GHEMEOVLPFSSTB-LJQANCHMSA-N 449.521 4.787 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](CC)O[C@H](C)C1 1740884268 VHKJXAYDJKWIOM-QUCCMNQESA-N 444.645 4.872 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740885059 VTOUNZGKEDZNQA-CALCHBBNSA-N 429.515 4.747 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(C)(F)F)c1)C1CC1 1740905771 HIYLFDCDCJDJCL-DEOSSOPVSA-N 446.542 4.634 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)COCC)C1CC1 1740908429 YAXZHDJTFAINAI-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCSC[C@@H]1C)C(C)C 1740926000 FRZQUPHWHNDLIL-GMAHTHKFSA-N 439.673 4.894 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@@H]1OCCC1(C)C 1740937168 UQFICYVXKIAODD-QHCPKHFHSA-N 434.584 4.821 30 10 IJEE CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccncc1 1746300634 CLNMWHLONIJHSA-UHFFFAOYSA-N 428.565 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1Cc1sc(C)nc1C 1749073287 KDBZCWFJCCGUBN-XMMPIXPASA-N 435.597 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCCSC 1749120120 ATSOGGRXZHBEBG-NQIIRXRSSA-N 426.586 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1749144176 STFGWGOXSAOIDO-JQYIIUTOSA-N 438.616 4.951 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC2(CC2)C1 1749219793 STENATVHEVQANF-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1749287787 AWZVTDJSSCWKOG-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1749331145 VPDCEWDNKPRVKG-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)c2nccs2)CC1 1749334722 LTFQFLIHQKDTTH-MRXNPFEDSA-N 439.585 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CC 1749354068 IAUBSOXJJFIAAY-IBGZPJMESA-N 429.996 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](COc2ccccc2)C1 1749357285 LLLVNXBZKSGPHP-NRFANRHFSA-N 436.556 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1749375396 BIKQUJDQUYPCQJ-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCC[C@@H]1C 1749587267 NIBYRAUHFAFYNF-IBGZPJMESA-N 439.991 4.911 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC2=CCCCC2)C1 1749719220 QMPMUMRENQDLRH-HXUWFJFHSA-N 426.536 4.668 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1749745668 DAPFLVKLZZNGOE-MTNREXPMSA-N 442.629 4.896 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCCS1 1760224869 BJYZIOXZFJRYNX-NQIIRXRSSA-N 428.602 4.562 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C1CCCCC1 1760228310 ALKMQQZATUQJGN-UHFFFAOYSA-N 439.673 5.000 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCCC2)C1 1760351034 ADLOOYUEQBJBCD-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCN2CC)CC1 1760405683 BXERYPWARKXKKH-NRFANRHFSA-N 425.646 4.766 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760435564 NQJARJVHTUZDSC-GOSISDBHSA-N 437.519 4.502 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1Cc1ccc(COCC(F)(F)F)cc1)C1CC1 1760472329 FJHVAQADOKWVMJ-UHFFFAOYSA-N 445.489 4.566 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760508241 PQGBBGRACAUMRH-DYVFJYSZSA-N 437.769 4.552 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)Cc2ncc(CC)s2)cc1 1760530497 QXAXSGAIMMGFSV-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC2(C)C)C1 1760539230 ZITXGJXETWGFIV-FUHIMQAGSA-N 430.980 4.899 30 10 IJEE COCC(C)(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C#N)CC1 1770692440 AKDGEBSGFQSGBU-UHFFFAOYSA-N 433.959 4.930 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3cc(C)nc4ccccc34)nc12 1859656306 ZXPKWRULDIGNNX-UHFFFAOYSA-N 448.486 4.718 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)CCc1ccc(OC)c(OC)c1 1861088971 XGRFQXSXQMNZDU-NRFANRHFSA-N 434.621 4.788 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1cccn(CCC)c1=O 1861278599 HXCKHXKMWWQKQN-QFIPXVFZSA-N 433.637 4.804 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)c1ccc2nc(-c3cccc(C)c3)[nH]c2c1 1862099740 XPQRAAICNVCJEZ-SANMLTNESA-N 430.552 4.637 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432671 KGOBVGQLVRVYLB-KXBFYZLASA-N 432.303 4.751 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 1862474637 QQGWRDYATUYCHA-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862531055 FHVRKFAEEJAZNV-XMMPIXPASA-N 443.499 4.742 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(Cl)c1 1862561883 ZCJNFRURHCNKKN-OAQYLSRUSA-N 442.943 4.707 30 10 IJEE CN1CCCc2cc([C@H]3C(C(=O)c4ccc(F)cc4)=C(O)C(=O)N3C3CCCC3)ccc21 1862680101 UMSXXXMIKZAQHM-QHCPKHFHSA-N 434.511 4.729 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)c(O)c1 1862728011 QZDHLHFIVOIZHZ-QHCPKHFHSA-N 429.472 4.666 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1Cl 1862752278 WSPUDOSGPHSKEB-IBGZPJMESA-N 428.872 4.873 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(c3cccc(Cl)c3)C2=O)c1 1862859474 PQHRSLKMMJGLLG-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 1862960079 UOCHZGFMTAKISP-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3Cl)C2=O)cc1 1862966157 YZQIGPYEQYLTBJ-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)c(C)c3)C2=O)c1 1863462770 PQLWBVHLDQBOTE-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)cc2F)C(=O)N(C[C@@H]2CCCO2)C1=O 1863651948 PGQWAGMGKOMBDO-IBGZPJMESA-N 448.554 4.954 30 10 IJEE CC/C(=C\C(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(OC)cc1 1866688113 OOXLJWVXNQWKHJ-CIEQNIFPSA-N 439.515 4.856 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(Cc3ccccc3)n2)c1 1868201027 MZOBAYJGTKHSLV-XMMPIXPASA-N 448.530 4.656 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccncc3)C2)nc(-c2ccc(C)cc2)n1 1869171033 AXKFUZYYHWLCEQ-HSZRJFAPSA-N 427.552 4.603 30 10 IJEE C[C@H]1C[C@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3ccccc3Cl)n2)C1 1870018269 BFBMTPGZTUTAPH-HOTGVXAUSA-N 434.931 4.527 30 10 IJEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CNc1cccc(OC)c1 1871216303 OOPRNOQOCHKEAB-UHFFFAOYSA-N 434.536 4.811 30 10 IJEE Cc1cc(OCCN2CCOCC2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 1871449567 QQWPDANOEGVTRP-JAIQZWGSSA-N 434.319 4.629 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872243517 SMBXLWSPYIPBFZ-QFIPXVFZSA-N 428.598 4.760 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872315944 UPKGDNSDQSLOSL-AUUYWEPGSA-N 441.018 4.940 30 10 IJEE CC[C@@H](C)N1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 1872775904 CWJNICRVFRZCSS-YJYMSZOUSA-N 447.491 4.834 30 10 IJEE C=CCN1C(=O)C(Nc2cc(Cl)ccc2Cl)=C(c2cc(F)c(F)cc2F)C1=O 1873239600 SIIAWRKNMUHSAP-UHFFFAOYSA-N 427.209 4.789 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2c[nH]c3cc(Cl)ccc23)cc1 1873499297 OOTSNQJPUQMXQW-BHGWPJFGSA-N 438.944 4.643 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)cc2C)cc2c(NCc3cccnc3)ncnc21 1873609305 URBWHNSNWJTJKF-UHFFFAOYSA-N 432.915 4.839 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(C(=O)O)cc1 1874317051 UDZWHHWDBYGHAS-BUVRLJJBSA-N 436.537 4.538 30 10 IJEE Oc1ccccc1/C=N/n1c(CCc2ccccc2)nnc1SCCc1ccccc1 1874403496 DAECFJOIBMPIGD-LGUFXXKBSA-N 428.561 4.986 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccco1 1874416150 AUJDXTQFABOLJS-PCLIKHOPSA-N 445.548 4.637 30 10 IJEE C=C(C)CSc1nnc(-c2ccco2)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874466620 SDNHGUKQVNYKBH-AWQFTUOYSA-N 449.330 4.565 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2ccco2)c(O)c1 1874467141 TZCJNTGOAQOZHJ-SSDVNMTOSA-N 426.885 4.777 30 10 IJEE CCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2c(F)cccc2Cl)c1 1874475904 YJFOKXXVSFYJPX-ZMOGYAJESA-N 448.951 4.833 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccs2)cc1 1874483540 AVGDPMFDFRBRMQ-LPYMAVHISA-N 427.599 4.813 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccccc1F)c1ccccc1 1874486850 NPSJKBGTGAZPNN-FRQJIFLKSA-N 439.560 4.566 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccccc2F)c(OC)c1 1874489705 GLDSRJBECKVNTD-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874509483 FGRNJSRYDOXXAM-LSHDLFTRSA-N 449.895 4.811 30 10 IJEE CCCc1nnc(SCCCO)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874510662 UGHHBCCHXDFPDM-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE CCN(CC)C(=O)COc1ccc(Cl)cc1/C=C/C(=O)c1cc(OC)ccc1OC 1874581028 SHXIPVRAHDOFRT-JXMROGBWSA-N 431.916 4.501 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1 1874706672 UGOQTWOBUVJCAF-YRNVUSSQSA-N 430.456 4.511 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)cccc1Br 1937850492 RNSRROXDDFAALB-DZGCQCFKSA-N 448.199 4.942 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1C[C@@]2(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 1949109458 HVXOJVUMSQFTDO-STSQHVNTSA-N 431.508 4.859 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C 1964772159 IUWNBJOHAXCVJC-KURKYZTESA-N 441.410 4.868 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C 1981306957 VDCDAGNGGHPHKQ-FCHUYYIVSA-N 430.614 4.935 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@@H]1OCc1ccccc1 1998839428 JGIHONURHUFUSU-OFVILXPXSA-N 429.605 4.843 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C2CCC2)C1 2020326647 LENLAYDWBIYCHK-UXHICEINSA-N 437.625 4.615 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1C#N)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034818195 KIJHQRRUBVQQQD-QFIPXVFZSA-N 426.564 4.519 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CNc2ccc(C#N)c(Br)c2F)s1 2043991984 IDTMBSFNIOPJPJ-UHFFFAOYSA-N 427.299 4.875 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)CO2 2081984505 IVTUSQQBNPEFEP-RPWUZVMVSA-N 449.592 4.618 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNc1cc(Br)c(C#N)cc1F 2106092405 ZQYHGGFQXYKBHF-STQMWFEESA-N 426.330 4.765 30 10 IJEE C[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cccc(Br)c1 2180912886 SYRLXPADEVXUGK-PBHICJAKSA-N 438.366 4.604 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1Br 2180923952 ZSEPXLPSLUMZFI-CYBMUJFWSA-N 449.267 4.713 30 10 IJEE Brc1sc(C#C[C@H]2CCCCNC2)c(Br)c1Br 2216395071 PQYPHVOKEIUNGI-MRVPVSSYSA-N 442.014 4.777 30 10 IJEE C=CCN(C[C@@H](NCCC)c1cc(Br)nn1CCC)C(=O)OC(C)(C)C 2224253089 KTDPXSFAPOBLAI-OAHLLOKOSA-N 429.403 4.519 30 10 IJEE O=C(OCc1ccccc1)N(c1cccc(F)c1)C(CO)(C(F)(F)F)C(F)(F)F 2227015523 WNXLXAHUHYXGST-UHFFFAOYSA-N 425.300 4.825 30 10 IJEE CC[C@]1([C@H](C#Cc2ccccc2Br)NC)CCCN(C(=O)OC(C)(C)C)C1 2235724026 VBPAIASAHVXYHQ-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 2235734464 WMSRSOAXVTWBRG-OALUTQOASA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(C)CCCC[C@H]1NC(=O)OC(C)(C)C 2235747847 UDNWYEIZYCFGTH-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE CC1CC(N)(C#Cc2sc(Br)c(Br)c2Br)C1 2244931584 PYQJWHIITZIRDJ-UHFFFAOYSA-N 427.987 4.515 30 10 IJEE C=CCCC1([C@@H](N)Cc2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266300641 HAORVOKZDDNXGR-KRWDZBQOSA-N 427.358 4.661 30 10 IJEE CC1(C)OB(C2(C(=O)N[C@@H]3CN(Cc4ccccc4)C4(CCCCC4)C3)CC2)OC1(C)C 2267505768 NLGGMRXQOWBJAK-NRFANRHFSA-N 438.421 4.706 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)s1 2278820378 RRQGDPVHEFMTDO-KRWDZBQOSA-N 435.387 4.848 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C12CC(CCN1C(=O)OC(C)(C)C)C2 2296275070 XNCBVECKKVFDQA-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCCN1C(=O)OC(C)(C)C 2296290233 AEWMPBMOFQGVMS-UXHICEINSA-N 435.406 4.958 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2296309982 CSMAUKSUGKUHBI-UZLBHIALSA-N 435.406 4.814 30 10 IJEE Cc1nc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)sc1C 2296923842 CDBFIMIAGKUWQK-GOSISDBHSA-N 440.908 4.745 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCC2 2305403928 RNZDCBPIKHGRIE-RUZDIDTESA-N 428.573 4.842 30 10 IJEE CC#CCCCC[S@@](=N)(=O)c1cc(I)ccc1Br 2316462837 MEARQWXHMANUFK-GOSISDBHSA-N 440.144 4.653 30 10 IJEE COc1cc(C=NNC(=S)NC2CCCCCCCCCCC2)cc([N+](=O)[O-])c1O 2318776535 MGKHCOHPVOGLPD-UHFFFAOYSA-N 436.578 4.780 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2)c1 2322659494 HATGPBCTNUSJMP-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1cc(OC(=O)c2cnccn2)cc2c1C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2323203289 QUOKSHKHWRYLMM-UHFFFAOYSA-N 427.243 4.927 30 10 IJEE CCn1cc(C=C2Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c2cc(OC)ccc21 2323985072 SIRZKRHWACSROK-UHFFFAOYSA-N 432.520 4.896 30 10 IJEE CCOC(=O)C1CCN(Cc2c(O)ccc3c2OC(=Cc2ccc(C(C)C)cc2)C3=O)CC1 2324022778 KTFRMZWPNAKTBR-UHFFFAOYSA-N 449.547 4.907 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)OC(=Cc1ccc(OC)c(OC)c1)C2=O 2325079528 OWHOVGHUDMGXIS-GOSISDBHSA-N 440.492 4.739 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2N=Cc2ccc(Cl)cc2Cl)o1 2325652623 SNFVCVZYJYKVMX-UHFFFAOYSA-N 425.297 4.529 30 10 IJEE COc1cc(C=Nn2c(COc3cc(F)ccc3F)nnc2SC)ccc1OC(C)C 2327410469 MKDVEYBHUMLRMT-UHFFFAOYSA-N 448.495 4.535 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OCC)cc2)n1N=Cc1ccc(N(C)C)cc1 2328567174 AOEAZLDTTWCQLX-UHFFFAOYSA-N 435.597 4.884 30 10 IJEE CSc1nnc(CCCOc2ccccc2)n1N=Cc1ccc(Br)cc1 2328709987 SUMJKFXVYCKISU-UHFFFAOYSA-N 431.359 4.656 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCCCO)nnc1-c1ccccc1Cl 2329607819 MXTOEGPDLNOJGD-UHFFFAOYSA-N 430.961 4.744 30 10 IJEE C=CCNC(=O)Oc1cccc2c(NC(=O)C=Cc3ccc(OC)c(OC)c3)cccc12 2329874497 CWCXPKAOKNFPEB-UHFFFAOYSA-N 432.476 4.783 30 10 IJEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1Cl 2330252015 PPJKHHZIMKJZME-UHFFFAOYSA-N 434.009 4.555 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330659408 XEZUMMYSXKFPOY-UHFFFAOYSA-N 435.597 4.743 30 10 IJEE C=CCSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2330975512 RRAPHSODRZYRQC-IBGZPJMESA-N 430.574 4.868 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2331051856 SJZUZTHOIFYZOE-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cnccn1 2331097186 LPXNFPAIEFTRDX-UHFFFAOYSA-N 444.821 4.922 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331530154 FCBFDCDDDVJMNV-UHFFFAOYSA-N 435.363 4.578 30 10 IJEE CCCC(=O)Oc1c(OC)cc(C=CC(=O)c2cc(OC)c(Cl)cc2OC)cc1OC 2331687946 GBTTZBJUMUOLCH-UHFFFAOYSA-N 448.899 4.976 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360194034 FCGUOKXNASUNDH-VNTMZGSJSA-N 433.390 4.567 30 10 IJEE CC#CCN(CC(=O)Nc1cccc(C(F)(F)F)c1Br)C(=O)OC(C)(C)C 2363118055 IFGXKIGQHOXBGI-UHFFFAOYSA-N 449.267 4.667 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](CCc1ccc(OC)cc1Br)NCCC 2364852540 KGEMTODVGDRYRE-OALUTQOASA-N 441.410 4.838 30 10 IJEE C=CC1(C[C@H](OCC(=O)O)c2sc(Cl)cc2I)CCC1 2366708405 AFUONRRKADWSEG-JTQLQIEISA-N 426.703 4.895 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)C(C)C 36116028 DBFHUGURJJEPHO-FQEVSTJZSA-N 447.000 4.577 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 62889331 JMSOBJIJDORAJZ-UHFFFAOYSA-N 444.413 4.936 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 102620159 ACDKQLKLIDXAQU-VFJWVMJUSA-N 444.443 4.538 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)cc2)cc1 103098179 GABOWALXTHBLET-FEYWKWKCSA-N 444.487 4.505 30 10 IJEE CCOc1ccc(N/C=C2/C(=O)c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)cc1 104402552 CCPBMNUHNSGZII-JLPGSUDCSA-N 448.544 4.880 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccccc2O)c1 169932059 GNYWUZGRCCMGLC-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1OC 169940398 SNSBOYVRHMOQPS-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2C2CCCC2)c1OC 169951392 YTASFVGYCYFJKG-QFIPXVFZSA-N 447.487 4.971 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OCC)cc3)[C@@H]2c2ccncc2)cc1 170020050 HRIZMJKFQSOTIH-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccco2)c1 170097819 UEDCAOMPOAOGBR-JOCHJYFZSA-N 435.451 4.904 30 10 IJEE Cc1cc2nc(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)[C@H]3c3ccco3)[nH]c2cc1C 170099010 IFEIOVAJMXVNMP-HSZRJFAPSA-N 441.487 4.875 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)c1 170102365 OEENWULDRMVNOS-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1cccs1 170164929 LAXDUMHRHYQBFP-SFHVURJKSA-N 435.929 4.797 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccnc1 170194033 KTYNBVVRVCQWCQ-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 170222970 BSDMWJKDDIDBRM-QFIPXVFZSA-N 449.409 4.519 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)[C@H]3c3ccccc3)oc12 170230862 XNIKVRFZBMTZIL-QFIPXVFZSA-N 440.455 4.615 30 10 IJEE COc1cc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2)cc1Cl 170233886 SKMCMFJWDTVUAA-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1OC 170259481 ICNZXVSOVKJSTC-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)cc1 170274460 GVEMNFUQPXUAIR-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)cc1 170282025 VQVNSHMGJSFSGT-FQEVSTJZSA-N 425.387 4.739 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1OC 170286889 AIGYAXPLWIBRGH-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C)o2)c1 170301966 JDQGIHHRWXEQMG-HSZRJFAPSA-N 445.471 4.759 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(OC(C)=O)c2)cc1 170408081 CGJUAZCCNWUMKQ-JOCHJYFZSA-N 431.444 4.550 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1 214162496 HYNJSALQUSWIRW-CLFYSBASSA-N 435.877 4.834 30 10 IJEE COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(C)C2=O)cc(Br)c1O 252621983 NLQQNQDQZOBFMZ-NIHZCWFLSA-N 433.327 4.706 30 10 IJEE Cc1cccc(C)c1NC(=S)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 254494628 WYXPJCSIZBEJQJ-UHFFFAOYSA-N 432.524 4.680 30 10 IJEE C=CC[C@@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 427810513 ZOYCKYKPIMTTDP-FCHUYYIVSA-N 428.536 4.728 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 494517524 ZPUYWHIWDMZIHH-AOMKIAJQSA-N 428.916 4.669 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)cc1 511762587 NLFVTSTVUQXVOV-UHFFFAOYSA-N 441.531 4.521 30 10 IJEE COc1ccc(-c2csc(NC(=O)CCCCOc3cccc(C#N)c3)n2)cc1OC 521955199 WDIABKBCEKFDEK-UHFFFAOYSA-N 437.521 4.887 30 10 IJEE CCOc1c(Cl)cc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1OC 526802755 NEQHWDVYPSWJPW-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 549656256 COVXVARGUICKDT-UHFFFAOYSA-N 425.536 4.801 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 549687552 GQNULSORLWAKST-UHFFFAOYSA-N 449.986 4.882 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 555243014 CUMQQFXNIMNGME-UHFFFAOYSA-N 434.588 4.650 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 562029941 SQFSRRGLUYOTPF-NRFANRHFSA-N 427.508 4.606 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 580905657 SYGAHBXZWWVUMK-HXUWFJFHSA-N 430.911 4.603 30 10 IJEE Cc1ccnc(-n2c(SCc3cc(Cl)ccc3OCC#N)nc3ccccc3c2=O)c1 735231041 ULMZODVYUFJSLL-UHFFFAOYSA-N 448.935 4.937 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)c2)s1 739597636 APYWIXKPYUEFQF-QHCPKHFHSA-N 431.542 4.532 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1 740059926 HLXMOGHNXZCCBD-FQEVSTJZSA-N 430.533 4.967 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)ccc1OC 745820244 RTBMSSZAXCRQBC-AHRSYUTCSA-N 425.529 4.960 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 802558066 NXFIHWANSUHIOT-SFHVURJKSA-N 427.474 4.853 30 10 IJEE O=[N+]([O-])c1ccc(N=NC(=NNc2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])o2)cc1 1084600481 PBLJENWVRDLRTJ-UHFFFAOYSA-N 425.317 4.562 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CCCN1C(=O)OC(C)(C)C 1116760118 FUIYHHYPFXVJRL-VWLOTQADSA-N 439.556 4.880 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C 1124399395 YTZQUWCKRADZBW-CQSZACIVSA-N 431.023 4.659 30 10 IJEE C#CCN(C(=O)c1ccc(C(=O)CC)cc1)[C@H]1CCOc2ccc(Br)cc21 1126229350 NLGBLDJSGIRKGI-IBGZPJMESA-N 426.310 4.641 30 10 IJEE COc1ccc([C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccco2)cc1 1129779084 DKTHZHDYHHNEAN-XMMPIXPASA-N 428.444 4.851 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCC(C)CC2)c1 1136543744 ZHEDRBONGDQUPR-QHCPKHFHSA-N 443.632 4.784 30 10 IJEE C=CCCC(C)(C)CNC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 1150961060 MZAFCCGPFICYCM-ZDUSSCGKSA-N 427.330 4.812 30 10 IJEE Cc1c(C(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)sc2ccc(C#N)cc12 1159724649 AKIWGBWYVAVICS-UHFFFAOYSA-N 427.570 4.801 30 10 IJEE C=CCC[C@@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)c1ccccc1 1192710686 REMVIAUPFGEERU-VQIMIIECSA-N 426.582 4.895 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1OC 1200243569 KBXBFRUGGLNVNB-PXNSSMCTSA-N 445.401 4.948 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccnn2-c2ccccc2)cc1OC 1203720820 BAURIIMPBZJWLS-UHFFFAOYSA-N 442.357 4.541 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)cc1 1214914100 CBXHXZSUZRWUAI-UHFFFAOYSA-N 429.524 4.555 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCN(c4cccc(F)c4)C3)cc2)nc1 1214965172 HECJKEATKXVRLO-HXUWFJFHSA-N 431.471 4.675 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1 1215112731 UXUFNTYALAUVON-HZPDHXFCSA-N 431.458 4.622 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3ccc(C(F)(F)F)cc3C2)cc(OC)c1OC 1221553921 XGVZQMOONHNYRM-UHFFFAOYSA-N 434.458 4.719 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C)c1ccccc1 1224388505 NYCRXDYRYLMAFD-CEMLEFRQSA-N 427.589 4.866 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c1ccc(F)cc1 1230479181 YPJJWDDXWDRJGV-LEWJYISDSA-N 443.563 4.567 30 10 IJEE C=CC[C@@H]1N(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CCCC1(C)C 1248377415 LNLKJBIFHSWHSL-UXHICEINSA-N 449.636 4.569 30 10 IJEE C[C@@]1(c2ccccc2)CCCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1252506968 GZDXEFGUAQNVHN-HHHXNRCGSA-N 430.596 4.676 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccc1 1254755581 RVIHUINEQDQWPO-SVBPBHIXSA-N 446.639 4.686 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)C(F)(F)F)cc1 1272444477 SXVJHNHZQFEALD-PIGZYNQJSA-N 432.364 4.994 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OCCC(C)C)c(F)c2)CCCN1C(=O)OC(C)(C)C 1277568585 MNSAFBHRWVHZCJ-XMMPIXPASA-N 432.536 4.982 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccnc1)C(C)C 1286516617 HSPHKQKAACRCEP-HYBUGGRVSA-N 434.975 4.820 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(OCC)CCCC1 1286519628 YVLIHAZRWJHENO-YADARESESA-N 440.563 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCC1(COC)CCCC1 1286527904 SSWVUUYUKHYFMT-RUZDIDTESA-N 436.600 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1Cc1cc(C(CC)CC)no1 1286528328 XBDLDTHJKDCWMH-AREMUKBSSA-N 431.584 4.995 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1286535489 BAIBCNOZTHLBIA-HNNXBMFYSA-N 447.406 4.639 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286547903 QPKRVVXDWPNZGH-CPUCHLNUSA-N 443.539 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCC(C)CC1 1286568842 XDJWNYLGKWGDPQ-FQEVSTJZSA-N 429.584 4.692 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1nc(C)c(C)s1 1286569496 RSMGFCAKMUKYFI-UHFFFAOYSA-N 441.601 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1286579347 OGOVXVXPMHRTJO-UHFFFAOYSA-N 429.609 4.905 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1286671701 XMDQWJKPUJMJSA-GOSISDBHSA-N 431.625 4.984 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1286671780 ZGYNTDMWDYXNKQ-XZOQPEGZSA-N 438.616 4.915 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(C)on2)CC1)c1ccccc1 1286677537 DMCGLSBJPNCHIV-NZQKXSOJSA-N 448.615 4.770 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286705714 HEYHXTCQMZOPTI-JTSKRJEESA-N 449.020 4.574 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C)CCC1)C1CC1 1286738607 YFVVHHUNEDIGTP-UHFFFAOYSA-N 429.609 4.738 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1286740127 YSOPHLOKJPCSIE-QFQXNSOFSA-N 437.632 4.831 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1CC 1286763637 OGGHWMPYJVNIAL-OAQYLSRUSA-N 439.991 4.911 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCC(C)(F)F)C1 1286802825 WPUMYQQHQYWECH-DOTOQJQBSA-N 436.572 4.958 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(C)C)C1 1286831210 BGFKKAUXSOQNFX-WIYYLYMNSA-N 428.602 4.582 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2nc3ccccc3n2CC)CCCN1C(=O)OC(C)(C)C 1293003640 FZMZDTFTONSIER-MZNJEOGPSA-N 426.561 4.579 30 10 IJEE C=CCN(C(=O)c1ccc(Nc2cccnc2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1296421410 WATWZUGSAASPDX-DEOSSOPVSA-N 429.520 4.628 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1300472486 AZHMGTAUCBWBBU-IFMALSPDSA-N 438.616 4.773 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCN1CCCC[C@@H]1C 1300642406 JKVLFNGNSLHWIQ-FQEVSTJZSA-N 449.574 4.890 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCCCC1 1300745850 NIQWBFLQCQSEDW-UHFFFAOYSA-N 437.382 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1OCC[C@H]1C 1300905863 XDFWPKWXASLUFF-DNVCBOLYSA-N 449.393 4.544 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1300927481 GTTAYAZZZDQNCB-QFIPXVFZSA-N 449.555 4.502 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC(C)C)CC1 1301072430 IMWNJDYAMAKXRV-UHFFFAOYSA-N 425.396 4.741 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccccc2)C1 1301194987 SZEHIKOHFNMJNE-FQEVSTJZSA-N 435.597 4.620 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1301368165 YHAMHXJGBQOHGU-GMAHTHKFSA-N 438.664 4.855 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](c1ccsc1)N(C)C 1301402577 NPQLDTKIZGGROJ-HXUWFJFHSA-N 427.618 4.768 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(F)F)C1 1301594826 JUDCFUSMDLONEK-CVEARBPZSA-N 440.535 4.958 30 10 IJEE COc1ccc2ccccc2c1CN(CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 1307455565 DJWJKFCYAJUDSH-UHFFFAOYSA-N 427.548 4.781 30 10 IJEE C#C[C@@H](NCC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Br)cc1 1308784814 NVSFHKIVBGPYSM-FOUFQHLJSA-N 433.390 4.891 30 10 IJEE C#C[C@@H](NCc1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1308785578 RPLNQMRGUVIEBB-HXUWFJFHSA-N 429.358 4.938 30 10 IJEE N#Cc1ccc(-c2cc(N3CCN(C(=O)Nc4cc(Cl)cc(Cl)c4)CC3)n[nH]2)cc1 1309980082 GGPASXULQWHVCW-UHFFFAOYSA-N 441.322 4.609 30 10 IJEE C=CCOc1cccnc1C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 1352133647 MEOZIWFRRQXKCS-UHFFFAOYSA-N 430.533 4.833 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1 1358196850 PLBNDAAZAUECCC-UHFFFAOYSA-N 425.488 4.901 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)COc1cccc2cccnc12 1358207204 ATUAOXAAHMYXTH-UHFFFAOYSA-N 429.289 4.730 30 10 IJEE COc1cccc(C2=NO[C@@H](C(=O)N(Cc3cccc(C#N)c3)c3ccc(F)cc3C)C2)c1 1358424197 BJOFBHILVLVHFF-RUZDIDTESA-N 443.478 4.741 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)c1cccs1 1358941038 WKHVEYGYCCGWFE-UHFFFAOYSA-N 447.377 4.955 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCc1cccc(C)n1 1358953312 SKKADIBSQGDFMA-UHFFFAOYSA-N 431.584 4.695 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@H](C)Cc1cccs1 1359072432 CQXAVPYYSFNCIY-CJFMBICVSA-N 434.609 4.832 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CC1CCN(CC(F)(F)F)CC1 1359110385 LGKDDDRMEYTGNB-UHFFFAOYSA-N 439.501 4.761 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1359119908 VFQHRJZXNHEPPN-GOSISDBHSA-N 432.515 4.800 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1359135047 QMNUKPXWHCIKEF-PXNSSMCTSA-N 444.626 4.551 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1359168258 NEROLSDXYKJBJW-HXUWFJFHSA-N 444.023 4.787 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1359222097 XVXKGSBGKQUKJW-BHDDXSALSA-N 442.604 4.942 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1ccccc1F 1359267494 IPGKIOXYCVACPK-UHFFFAOYSA-N 444.352 4.986 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@@H]2CCCC[C@@H]2C)C1 1359316897 YHBSMNCUZQSWGI-VLCRHTCISA-N 445.007 4.975 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1359340707 WLDOGPGRIKBFNC-MRXNPFEDSA-N 448.017 4.552 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2 1434958614 LQFTUMPJWHAVAI-UHFFFAOYSA-N 425.866 4.568 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)NCc1cccc(Oc2ccccc2)c1 1462833413 CXGTXNNANDFVCL-UHFFFAOYSA-N 443.322 4.592 30 10 IJEE C=CCCCS(=O)(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1463136861 LTAXBUMCUCYXKW-CYBMUJFWSA-N 429.405 4.828 30 10 IJEE CCCOc1ccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1Cl 1465309045 HIDIYZKIIWOUME-UHFFFAOYSA-N 428.920 4.907 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)CCO2)c1 1466629914 CXWJBKUGBLLVLD-QGZVFWFLSA-N 425.794 4.716 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1ccc(F)cc1 1470657015 KNCBRHUXVUGUCV-VWLOTQADSA-N 432.495 4.929 30 10 IJEE C=CCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1474832498 SEHYAKQMBTUXOZ-GOSISDBHSA-N 445.437 4.650 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)cc1 1475459630 SKVCLSBIWMMSJN-UHFFFAOYSA-N 444.597 4.651 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)C1 1476075700 GCVIYIKRGODFOX-ROUUACIJSA-N 441.963 4.620 30 10 IJEE C#CCOc1ccc(CNC(=O)NCC2(c3cccc(Br)c3)CCCC2)cc1 1478249588 MJHQVIRUUDJDTC-UHFFFAOYSA-N 441.369 4.772 30 10 IJEE CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCc1ccc(C#N)c(F)c1 1478822825 GXCWDYBTWQEUHE-UHFFFAOYSA-N 427.867 4.523 30 10 IJEE C#C[C@H](NC(=O)NCC(CC)(CC)C(=O)OC(C)(C)C)c1ccc(Br)cc1 1478858905 ZXJHHUSCXXQEOQ-KRWDZBQOSA-N 437.378 4.571 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)cs1 1503921265 BDKBAEWNODLKTC-CQSZACIVSA-N 442.976 4.551 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1 1505314787 BCMHLQZRNCCMTO-AZUAARDMSA-N 447.505 4.537 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCc1csc(CC)n1 1507765677 CPQPPUDLMJFXIU-JOCHJYFZSA-N 425.989 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1OC)N1CCCC1 1507773745 VYDGMYCKBNKYOZ-WXVAWEFUSA-N 449.643 4.705 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1507826869 GYZJWQDNRFYIND-INIZCTEOSA-N 431.378 4.597 30 10 IJEE C=CC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCN(C)CC(F)(F)F)CC1 1507898594 ZLFDBHKXZQCLPB-UHFFFAOYSA-N 447.549 4.645 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN(C)[C@@H](C)CC)CC1 1507909165 UKKJIJALJXPCPR-NRFANRHFSA-N 425.621 4.607 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1507952388 RZRYDRVFFAUERT-QHCPKHFHSA-N 434.588 4.846 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1507996493 HRCVZPNHICXGJQ-HDICACEKSA-N 442.677 4.545 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCO[C@H]1C(C)C 1508003042 REYBQROIYNMTPY-RSXGOPAZSA-N 445.611 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1nc(C(C)C)cs1 1508009216 YNQIJRMSYBZBLA-INIZCTEOSA-N 429.615 4.664 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CC[C@@H]1CCOC1 1508026763 WGEPVLYURXCGRK-GOSISDBHSA-N 426.948 4.853 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2CCOCC2)C1 1510285283 HXXDWZNGQFEJII-OAQYLSRUSA-N 434.371 4.809 30 10 IJEE CC[C@@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1nccc(C(F)F)n1 1512832269 BXJVDPGLQYDZBN-OAHLLOKOSA-N 437.498 4.608 30 10 IJEE C=C(C)[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccc(F)c(F)c1 1517412101 TVCGCBQSEMPJMK-DEOSSOPVSA-N 448.469 4.928 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)CCCN1C(=O)OC(C)(C)C 1520837436 FVNJXGSEXKJPPV-QHCPKHFHSA-N 442.947 4.566 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 1524983655 TTXHBYFDWVVVRB-SFHVURJKSA-N 431.330 4.528 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 1525276317 ALMZMBDFMBHXRB-JOCHJYFZSA-N 439.284 4.744 30 10 IJEE CC(=O)c1ccc(C(=O)Oc2c(Br)cc(C#N)cc2Br)cc1C 1529814009 LPDSVMNGIQEEIZ-UHFFFAOYSA-N 437.087 4.814 30 10 IJEE COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1530375676 ABOXJGRBKVRDJT-FQEVSTJZSA-N 428.532 4.983 30 10 IJEE C[C@]1(CNC(=O)c2ccccc2Oc2ccccc2C#N)CCN(Cc2ccccc2)C1 1531002300 CENMAKRKAOSAJU-HHHXNRCGSA-N 425.532 4.993 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cn3c(Br)cnc3s2)C(F)(F)F)cc1 1532570284 PBHSVLKMEXSCMQ-ZDUSSCGKSA-N 429.217 4.600 30 10 IJEE Cc1nc(SCC(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)c(C#N)c(C)c1C 1532602129 IFKILNKPEUIWPJ-UHFFFAOYSA-N 433.508 4.979 30 10 IJEE C#CCN(C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)C(C)(C)C 1538269704 CJRGVCBLADPVCD-UHFFFAOYSA-N 427.342 4.504 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1539002356 CGFPJKVVEXTYKV-SSPYTLHUSA-N 429.568 4.583 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CCc2cccs2)CC1 1539096126 RIQPYXZCSVFXDC-XMMPIXPASA-N 447.652 4.660 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1 1539415827 GAENFVIACHQFNP-UHFFFAOYSA-N 444.560 4.842 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCc2sccc2C1 1539504770 OUOYXGGMGMPWRW-UHFFFAOYSA-N 429.014 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1)N(CC)CC 1539556240 NKDOPDIZQVGEFX-MVERNJQCSA-N 435.616 4.595 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](c1ccsc1)N(C)C 1539566273 FJGUKEGHFHECSI-RCZVLFRGSA-N 449.624 4.522 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)c(Cl)c1 1539696906 JSFDIHHEMJAPCZ-SFHVURJKSA-N 428.337 4.718 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)C)C1 1539774993 HRJQHFXQLYFXJE-CRAIPNDOSA-N 425.360 4.685 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(OC)C2CC2)CC1 1539831609 KHEXSPSFHKWXGL-OAQYLSRUSA-N 431.378 4.679 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1539954753 DUAFHOROTAGGOE-FQEVSTJZSA-N 425.577 4.747 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cccs1 1540027766 AJLADUJCBLUYCU-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nc(C)c(C)s1 1540058895 ZBTVKTUJSUQQFP-UHFFFAOYSA-N 436.354 4.591 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C(F)(F)F)cc1 1540108157 YQFVHCXTPBMWHI-IRLDBZIGSA-N 443.465 4.984 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCS[C@H](C)C1)C(C)C 1540148087 RCFLZGZEVFQBCN-KNQAVFIVSA-N 443.636 4.725 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@@]2(CCSC2)C1)C(C)C 1540151032 BWZWNXVNSRHQJL-XUZZJYLKSA-N 429.678 4.578 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCOC[C@@H]1C 1540191202 HGWVQVFYSRQMLZ-FPOVZHCZSA-N 426.605 4.554 30 10 IJEE C=CCSCCn1c(N(C)Cc2cscn2)nnc1C1(c2ccccc2)CCC1 1540922206 HMNSTBXTUGUQAP-UHFFFAOYSA-N 425.627 4.760 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCCCC1 1541513867 IBAQINVCVZDIIW-OAQYLSRUSA-N 430.641 4.550 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)c2nc(C)cs2)c1 1542157693 CJAGGECRMYAFKL-MJGOQNOKSA-N 438.601 4.781 30 10 IJEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1)C(C)C 1558479517 LYDBNQWHSLHHSY-UHFFFAOYSA-N 426.582 4.577 30 10 IJEE C#CCN(C(=O)Nc1ccc2c(c1)C[C@@H](C)O2)[C@H]1CCOc2ccc(Br)cc21 1563317990 BXBVUKDHKFENPC-KUHUBIRLSA-N 441.325 4.763 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc3occc3c2)nnc1-c1ccc(Cl)cc1 1585740575 QSHJOPJBKQOSGJ-UHFFFAOYSA-N 438.940 4.939 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC1=CCCCC1 1587945729 PIHSNROGLWGDOQ-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cscc1C(F)(F)F 1588420686 LGIHEBYIXIJXOO-UHFFFAOYSA-N 443.498 4.938 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCCC[C@H](SCC)C1 1589116915 PEXLUTJJYWASCI-NRFANRHFSA-N 444.670 4.644 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1cc(Cl)ccc1OC(F)F 1589192096 GXOFRMDCDBROQZ-JOCHJYFZSA-N 443.885 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)CC[C@H]1C 1589495021 OYRLJNYLDAWRGT-MKSNKDDYSA-N 448.409 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1nccs1 1589609448 YMSIDBDNSRPOJO-UHFFFAOYSA-N 436.354 4.754 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1cccc(NC(=O)CC(C)C)c1 1589637033 QXPCCBAEUHZZLJ-UHFFFAOYSA-N 432.572 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(CN2CCCC2)cc1 1589641922 RNXNKCYUBWELJO-UHFFFAOYSA-N 430.600 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1589687408 DTJFVQHDQMXNBB-NLFFAJNJSA-N 443.611 4.909 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cccc(OC)c2)C1(C)C 1593639740 ZKCSKTHRZHFDKZ-RTBURBONSA-N 436.980 4.826 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C)[C@@H]1C 1593718005 NWFAFTKKHFYINC-HOTGVXAUSA-N 449.393 4.544 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1594536321 WGHDEBAKEMHDMD-RLWLMLJZSA-N 448.615 4.686 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OC(C)(C)C)CC1 1594591301 RBGKZIWETUNDTB-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1oc(CCC)nc1C)C1CC1 1595021119 UJPJJFXSNBMWFN-UHFFFAOYSA-N 448.571 4.599 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1595094075 MCMKAYHARSZJGT-TZRRMPRUSA-N 449.599 4.645 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)[C@@H]3C[C@@H](OCC)C34CCC4)nnc2C(C)(C)C)cc1 1595639745 JCIRDRLWPIVWOF-FGZHOGPDSA-N 438.616 4.973 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(F)(F)CC1 1595844426 BPKIPLNOLWWPLL-HNNXBMFYSA-N 426.508 4.712 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1595854641 IJLVVYUPYQXMSE-NRFANRHFSA-N 443.661 4.858 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1595866450 LKKQPWQYBKJEKN-XMMPIXPASA-N 439.629 4.751 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(F)cc1 1595905007 AIQLVSNPFQDYAI-WOJBJXKFSA-N 432.609 4.891 30 10 IJEE Cc1cc(C)c(C#N)c(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)n1 1613189891 BBHUJBSPFAQHFZ-UHFFFAOYSA-N 433.533 4.740 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCSCC2)cc1C 1625985130 QUKZLXGXYXEYPK-FQEVSTJZSA-N 433.618 4.736 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc2sc(C)nc2cc1OC 1626596420 GEIFRSLBAYQNFQ-CQSZACIVSA-N 425.938 4.588 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCCC[C@@H]3c3cccc(C)c3)ccc2c1=O 1634073610 GHDXZTDIXVOQBL-JOCHJYFZSA-N 433.577 4.937 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccc(Cl)cc1F 1635191713 NYBPBTCWWAIZGL-TZIWHRDSSA-N 442.918 4.804 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1)C(=O)OCC 1636837524 DIWKCBCVYOBHPL-AWEZNQCLSA-N 445.566 4.738 30 10 IJEE COc1ccc(CN(CCCO)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 1637016385 FRFDPPOCRYZINQ-UHFFFAOYSA-N 434.467 4.523 30 10 IJEE COc1cccc(-c2nc(C)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)[nH]2)c1 1638616053 BSLLNWRBZRNJPV-CQSZACIVSA-N 442.441 4.967 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 1640459918 ISYBMACUPABSSF-UHFFFAOYSA-N 433.430 4.503 30 10 IJEE COc1ccc(-n2c(SCc3ccc(C#N)cc3OC)nc3ccccc3c2=O)cc1 1640805342 GXRZMDCUYODVEZ-UHFFFAOYSA-N 429.501 4.567 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc3ccccc3n2-c2ccc(F)cc2)c1 1640883384 GVVWWXCADNJLRF-UHFFFAOYSA-N 444.491 4.586 30 10 IJEE C#CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@@H]1CCc2ccccc21 1644410640 GEMUBPJASMEEFW-HSZRJFAPSA-N 429.589 4.912 30 10 IJEE C=C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2 1645463450 KFIGYPCYJZQEIQ-KRWDZBQOSA-N 438.593 4.846 30 10 IJEE C#CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1649382866 NORXSAFDGWXOQB-UHFFFAOYSA-N 435.568 4.569 30 10 IJEE C[C@@H](c1nnc(Sc2nc(C#N)c(Cl)s2)n1-c1ccccc1)N1CCCCC1 1649809270 DXGJRKCZBAHJAO-ZDUSSCGKSA-N 430.990 4.947 30 10 IJEE C=C[C@H](SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1cc(C)cc(C)c1)C(=O)OC 1652418222 XMDGTEUYAIJOIB-URBQWANRSA-N 436.533 4.517 30 10 IJEE C=C[C@H](Sc1nc2sc(CC)c(C)c2c(=O)n1Cc1ccc(C)cc1)C(=O)OC 1652496086 PNXHIPZFEWGPEU-KRWDZBQOSA-N 428.579 4.505 30 10 IJEE COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H](C)c1cccc(C#N)c1 1653100052 GIWTUVQTGWCGHQ-ZDUSSCGKSA-N 429.307 4.688 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)ccc1OC 1656487378 GNWZTUFCDWIIJK-HXUWFJFHSA-N 446.494 4.537 30 10 IJEE Cc1cc(Br)ccc1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1660157550 GCOWARQPXIXSNZ-UHFFFAOYSA-N 444.720 4.790 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)c1ccc(F)c(F)c1 1662886496 CIXVAVVBBGFILE-GOSISDBHSA-N 447.862 4.530 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)NCCc3cc(C(F)(F)F)ccn3)cn2)c1 1665864042 GXICYQSVYJDQGV-UHFFFAOYSA-N 427.386 4.524 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1671793603 LVZGBHBZRITSHI-ZEQRLZLVSA-N 446.934 4.841 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@H]3c3ccc(Br)cn3)cc2n1 1673220705 PDDMHUAFXIQAAT-IBGZPJMESA-N 426.318 4.749 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 1675689909 FGYCKLLPUJIRCX-UHFFFAOYSA-N 438.503 4.919 30 10 IJEE Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1678771743 DRQPJFRUZWFYOT-QFIPXVFZSA-N 448.567 4.883 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 1680632541 DCPNMMVLQBKOTJ-LEWJYISDSA-N 439.522 4.609 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1)c1ccc(Br)cc1 1682357281 WKMUSKWDXJIIKK-NVXWUHKLSA-N 444.398 4.658 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 1684994551 OYBIUGQPEJSDQM-FCHUYYIVSA-N 427.589 4.715 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1689895059 HVRHCXOGSRSYHD-UHFFFAOYSA-N 437.607 4.514 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C)C1 1689903955 FKFJFVYGSAFIKL-OAHLLOKOSA-N 439.412 4.909 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccc1C 1690005917 DRLLJLSMKFPZRU-UHFFFAOYSA-N 428.605 4.899 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(C)CC1 1690180744 KZFZWGJACNABEY-UHFFFAOYSA-N 447.048 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H](C)c1c(C)noc1C 1690214583 OSJNNQZMJUXIDP-HFJWLAOPSA-N 447.583 4.820 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2cc(F)cc(C)c2C1 1690247952 ISCFFFFTCRFUEV-AUSIDOKSSA-N 426.580 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCSCC1 1690258829 VWROQAGEWKEDDI-GOSISDBHSA-N 445.702 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CCOc1cccc(C(F)(F)F)n1 1690260826 ZQPJPHSZYFXINM-UHFFFAOYSA-N 449.452 4.979 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(SC)CCOCC1 1690271025 AQENWUKZBHZMLC-UHFFFAOYSA-N 444.645 4.789 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CN2CCCCC2)C1 1690307304 WMOVNIUXUNURJD-HXUWFJFHSA-N 444.023 4.503 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1690394998 UMSWVXJFFLDTAH-PMACEKPBSA-N 425.552 4.688 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCC2)CC1 1692369350 BVFUSWPKRPHZPB-UHFFFAOYSA-N 434.632 4.955 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1705516244 WTIKBJCBJCGTIX-RTWAWAEBSA-N 428.964 4.555 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCC(C)(C)C1CC1 1705579346 UKEZDNVGYSONHR-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1705610538 SONICFJTRDVUBF-SZPZYZBQSA-N 446.643 4.654 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)Cc2ccccc2)CC1 1705777466 BHEYOOOLWHINDX-UHFFFAOYSA-N 436.991 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](OCC)C1 1705788600 GHQQIMAWWYSYLK-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1CC1CCN(CC(F)(F)F)CC1)C1CC1 1705851137 VVSIXACWXVBUPK-UHFFFAOYSA-N 433.522 4.683 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C)on1 1705880060 SNQAYARLDZGUMN-UHFFFAOYSA-N 437.931 4.695 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCc2csc(C)n2)C1 1705916266 OBQMLMLSRQCQPW-YADHBBJMSA-N 437.613 4.609 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1705921211 NXCMHSUJYQTQJH-GHTZIAJQSA-N 446.542 4.951 30 10 IJEE CC(C)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C#N)c1cccnc1 1706077201 GVWIHWDPDMOAME-WMZHIEFXSA-N 441.583 4.781 30 10 IJEE Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCCCC2)s1 1707740724 HQGFTBNAGRILOJ-UHFFFAOYSA-N 436.585 4.619 30 10 IJEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)SC)CCO1 1709551329 FCKNFNOQOJTVDN-FQEVSTJZSA-N 427.618 4.744 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722339583 XIIRTEQTYIFVRH-GCJKJVERSA-N 445.007 4.526 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](C)N1CCCCC1 1722404929 GYRRMJBMTMLMKE-HXUWFJFHSA-N 439.673 5.000 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC=CCC1 1722427867 SFGAOJLMUSCHHI-GOSISDBHSA-N 431.005 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@](C)(CC)C1 1722491109 HTKXULFOWASIBK-KSZLKVKMSA-N 438.616 4.807 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCc1cccs1 1722509199 MEVKKEWNAWXBFY-XUZZJYLKSA-N 436.625 4.899 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCCCCCO)CC1 1722576224 DDVFTNZKBQIQCY-UHFFFAOYSA-N 433.394 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSCC1 1722590463 FBKBAXKZEKBQGS-UHFFFAOYSA-N 449.665 4.548 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](CC)O[C@H](C)C1 1722612059 OSAHMNOBHXOLLU-ZBFHGGJFSA-N 437.357 4.817 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cnccc1OC 1740537550 FHTXCDGRUHGSIW-AWEZNQCLSA-N 437.956 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1740537935 AKVHPVBFNCGTQZ-ILZDJORESA-N 445.405 4.617 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740567885 QUZCCXQBEOMREJ-FQEVSTJZSA-N 446.517 4.971 30 10 IJEE C#CCN(CCOC)c1nnc(C2CCCC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1740684758 ASSODRZZBMBAOI-LJQANCHMSA-N 438.469 4.643 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1740788691 ZIKYZHKWYPFFAI-XLIONFOSSA-N 432.515 4.908 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)N2CCCC2)CC1 1740841921 GFBJGMNQQHZZNP-QFIPXVFZSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2ccccc2OCC)CC1 1740851219 RBPIEZGGYSOJTN-UHFFFAOYSA-N 425.621 4.804 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1)c1ccccc1 1740856546 UTIUHMCXHKDSES-PKTZIBPZSA-N 446.599 4.692 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1740881105 XIJJMUAJLXCHAW-GCJKJVERSA-N 439.604 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCc1nnc(C)s1 1740892184 BCWXLUYVOKBGNC-UHFFFAOYSA-N 447.612 4.768 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1740944909 QRZRYLOXDRBLKS-CTNGQTDRSA-N 437.632 4.950 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CC[C@@](C)(CC)O2)C1 1740974076 INXXCLYZXWUASK-TXTKFYIRSA-N 430.980 4.728 30 10 IJEE CCCC1(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1745311283 DIEDXVQITSSPLC-OALUTQOASA-N 444.624 4.569 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1748775668 PYLRDIKXDYEUHS-IEBWSBKVSA-N 445.405 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOCC(C)C 1748876605 MICOADZBQQEWKC-UHFFFAOYSA-N 433.383 4.778 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CC(C)(C)C(F)(F)F 1748939311 YGBHBMBUPLESSV-UHFFFAOYSA-N 426.508 4.627 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]2CCC[C@@H]21 1749028803 HNOLXFQKKSADGO-APWZRJJASA-N 445.430 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCC(C)CC1 1749060692 ZDICYBKSAKSIHT-XMMPIXPASA-N 443.998 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCCCOCCc1ccccc1 1749066178 HMOIFVTYBHDJAP-ZEQKJWHPSA-N 436.600 4.551 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1nccs1 1749217043 YFEMDTVRVJKDKM-MRXNPFEDSA-N 443.642 4.817 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1749293515 PPEGJTUGOIGABQ-HKUYNNGSSA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@](C)(O)c2cccs2)CC1 1749312868 WJGHDCFHJUBFQS-DEOSSOPVSA-N 438.597 4.600 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](CCC)C1 1749447615 IZFOLMDJPRXNSE-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)c1ccsc1 1749473418 HMGUUPQLCGFDPH-HXUWFJFHSA-N 447.402 4.607 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(C)CCCS1)C1CC1 1749515037 PPUOFLPFPHJIOC-QHCPKHFHSA-N 428.602 4.793 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCC[C@@H]1OC 1749536342 IFBVSIWXOJYEDY-ZEQRLZLVSA-N 433.600 4.890 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C(C)(C)O)cc1 1760103620 JDMOMVSUMPTRJN-QZTJIDSGSA-N 448.636 4.865 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@H]1CC 1760138256 VDKGGRHCSMETDD-PZJWPPBQSA-N 443.636 4.821 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760154721 ZAPZJPBHOXXDMI-SFHVURJKSA-N 444.963 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCSCC2)cc1 1760332360 YVEIJTMNLFREMR-UHFFFAOYSA-N 437.613 4.850 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)SC)CC1 1760398736 KQLBNNXPWHSJJE-GFCCVEGCSA-N 427.437 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 1760408254 HGOLZKHGPYQSBD-CQSZACIVSA-N 437.371 4.854 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1760424445 HQEUAPRUKWDXJQ-UHFFFAOYSA-N 428.581 4.513 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760443744 ZKSWJGCBCBJQSD-UHFFFAOYSA-N 441.645 4.516 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1Cc1ncc(CC)s1 1760478108 VQCRLHUFUTYJQK-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C)s2)cc1 1760531655 VXVXBBADJXAJQH-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)c2cccs2)C1 1761542259 HHANRXTYSINRRN-FGZHOGPDSA-N 441.988 4.698 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(CC)cc2)CC1 1772554947 YYNGDJFFBSEAHQ-AREMUKBSSA-N 438.616 4.526 30 10 IJEE CCCOc1ccc(/C=C/C(=O)Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 1859036523 KHOGSSMGDQMMFP-XNTDXEJSSA-N 440.499 4.896 30 10 IJEE Cc1cc(C)c2c(C)c(C(=O)Nc3c(C#N)cnn3-c3ccc4ccccc4n3)c(=O)oc2c1 1859742211 WFGJECFWJYSQLX-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Br)cc2C)cc1OCC 1860728829 NPAIEPGHTGOPRD-UXBLZVDNSA-N 432.314 4.776 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2ccc3c(c2)OCCO3)n(Cc2ccccc2Cl)n1 1862364245 QSZGXHHYDRGPFD-UHFFFAOYSA-N 449.938 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccccc1Cl)c1ccccc1Cl 1862432599 IQCGPBSBTRHQLI-LJQANCHMSA-N 442.302 4.538 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 1862474929 YWGOEKNHYIVFAZ-QHCPKHFHSA-N 438.543 4.834 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862483274 YLVLHEMMJNECQV-FQEVSTJZSA-N 447.362 4.832 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862539848 ZMDZTZUNXMWHHD-NRFANRHFSA-N 438.480 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1cccc(O)c1 1862590367 HJPJPTWKOUUUCN-XMMPIXPASA-N 443.499 4.699 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1c(F)cccc1Cl 1862677922 MJHKDUOGCVOGME-IBGZPJMESA-N 435.854 4.623 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1C 1862875042 UFEAMANMIYTGIY-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE CCCOc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)c1 1862934374 PXEZJWVEYFCZSJ-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c1 1863074026 OEPWVCCCCWYCSE-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1cccs1 1865325870 GSNYQZUFAVGUOY-IBGZPJMESA-N 446.576 4.527 30 10 IJEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)cc1 1870106052 VBMJTFRDINDELC-UHFFFAOYSA-N 439.519 4.711 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2cccc(Br)c2)cc1=O 1870838878 YZTOUYHNNJPKPB-UHFFFAOYSA-N 437.378 4.564 30 10 IJEE C#CCOc1cn(Cc2ccco2)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1871008365 SCAZNKDYEUGKKG-UHFFFAOYSA-N 440.499 4.693 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CNc1cccc(Cl)c1C 1871195593 YDLSQSIZWNDOGC-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(N3CCCCC3)cc2)[nH]1 1871607725 FSGDQGKVFNOECJ-UHFFFAOYSA-N 435.620 4.808 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871803420 WYCYFYCIMNDPSU-FQEVSTJZSA-N 434.989 4.859 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)C1CC1 1871856206 LFPWDHRXHPGHPO-HSZRJFAPSA-N 442.581 4.956 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871891036 KITVIMPQWFVIIK-UTKZUKDTSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871909419 AGDSKWKXWGVMBT-JPYJTQIMSA-N 428.598 4.842 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872142964 NYWSYYWSMBNTJF-IBGZPJMESA-N 435.549 4.634 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872548639 NJEHOOORZJJXAE-VGSWGCGISA-N 432.561 4.673 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCCCOc1ccc(OC)cc1 1872715546 HSYSMRORBYEMNI-UHFFFAOYSA-N 433.549 4.797 30 10 IJEE COC(=O)c1cccc2c1c(/C=N/n1c(C)nnc1SCc1cc(C)cc(C)c1)cn2C 1873501752 MSMNPCFEHDCKEZ-BRJLIKDPSA-N 447.564 4.656 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2/N=C/c2cccc(O)c2)c1 1874310126 FVKVZAORMSUUSV-YZSQISJMSA-N 444.560 4.952 30 10 IJEE COc1cc(Br)cc(/C=N/n2c(SC)nnc2[C@@H](C)c2ccccc2)c1O 1874391669 OQRNLNQOBPVYDB-OVMKCGGTSA-N 447.358 4.511 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)ccc1O 1874427083 PRBYRUAMBBAUFJ-AFUMVMLFSA-N 434.496 4.973 30 10 IJEE COc1cc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccccc2F)ccc1O 1874439888 YCVGPJCOWJVDTE-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 1874451294 WIEWMNXPTSHCDZ-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1/N=C/c1sccc1C 1874467468 KHVSBHJMCASHAV-FYJGNVAPSA-N 431.587 4.531 30 10 IJEE CCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2Cl)cc1 1874472817 YMNDQUQITTVWOX-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2/N=C/c2cccc(C)c2)o1 1874488296 VDUOCJVIRDSLQI-YDZHTSKRSA-N 426.542 4.729 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1/N=C/c1c[nH]c2ccccc12 1874517550 ZDCXPJSQWDDWGA-OXVLKEGXSA-N 446.580 4.735 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cccc(Cl)c1 1874521626 CNJDCIUJIXMZLO-FSJBWODESA-N 427.961 4.724 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(OC)c(OC)cc1OC 1874527143 YOFFKYHCKCNRBA-ZMOGYAJESA-N 440.569 4.658 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1OCCO 1874572008 RKLDGGVIWSSQKM-CMDGGOBGSA-N 431.326 4.604 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)c(OC)c1 1874588015 PURSZRVNGGDUDZ-XNTDXEJSSA-N 431.488 4.926 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC 1875120475 VPDTVCUPACQSSN-WYMLVPIESA-N 448.471 4.593 30 10 IJEE CCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1OC 1875173800 VWVUPJKQYKMMKT-CMDGGOBGSA-N 448.899 4.976 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H](O)c1cc(Br)ccc1Br 1922062816 OMSTZBRWLARZMC-SFHVURJKSA-N 440.131 4.587 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)c1ccc(F)c(Br)c1 1922073437 DIGVKYOCJDCALX-YADHBBJMSA-N 436.365 4.937 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 1988787862 WEJVAWKFCFSJRS-UXHICEINSA-N 425.516 4.839 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2020336342 MDTCFCAVDHBWFE-LJQANCHMSA-N 437.625 4.759 30 10 IJEE CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C 2053578005 GUERPVMWCQXYEU-WBZYAEBOSA-N 444.656 4.820 30 10 IJEE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C2CCC2)c(C#N)c1I 2079988419 YWEFUNUZHCMLBV-INIZCTEOSA-N 435.309 4.949 30 10 IJEE CC1(C)OB(C2[C@@H]3CN(Cc4ccc(Cl)c(Br)c4F)C[C@@H]23)OC1(C)C 2110460754 IABRUYPAPYVSII-VXGBXAGGSA-N 430.554 4.766 30 10 IJEE CN(CCN(CC(F)(F)F)c1cc(Br)ccc1C#N)C(=O)OC(C)(C)C 2118200329 DIBVUXBVDAXDGY-UHFFFAOYSA-N 436.272 4.556 30 10 IJEE CC1(C)OB(c2ccc(CN[C@H]3CN(Cc4ccccc4)C4(CCCC4)C3)cc2)OC1(C)C 2154528844 VIMSCUBAWPICIB-RUZDIDTESA-N 446.444 4.663 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2156367661 MLBFQANEUZMDBJ-UNMCSNQZSA-N 428.370 4.935 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3ncc(Br)cc3C#N)CCC[C@@H]12 2165306865 RKNIBVXGVYUQEF-UZLBHIALSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(c3ccc(C#N)c(Br)c3F)C[C@@]2(C)C1 2174810251 KGGXREUAXDRIJW-PMACEKPBSA-N 438.341 4.543 30 10 IJEE CCC[C@@]1([C@H](C#Cc2ccccc2Br)NC)CCCN1C(=O)OC(C)(C)C 2235721387 DILVGEPCCLFGTE-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2235734552 XLWUDVASBUURAC-XEYPJELSSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@H](O)C#Cc2ccccc2Br)CC1 2235739268 GWITWYDIFWFWOC-HGHGUNKESA-N 440.353 4.585 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2255620080 VTOXXRVUWVOBMT-UHFFFAOYSA-N 430.354 4.869 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1 2267272639 BHFMTDLYMGBAFI-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2285955125 PKPDSWVXTBPRTO-SFOLAPGASA-N 434.378 4.990 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@H](N)CC#CC1CCCC1 2289848433 VLZJVWQSEVUNNS-UXHICEINSA-N 435.406 4.796 30 10 IJEE NCCO[C@]1(C#Cc2ccc(Br)cc2)CCCC[C@H]1OCc1ccccc1 2296221181 GPIHRCJDLABGLB-PKTZIBPZSA-N 428.370 4.674 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@H](N)C#Cc1cccc(Br)c1 2296224663 MPQGGYNOZOJTRP-MOPGFXCFSA-N 433.390 4.698 30 10 IJEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@@H](N)C#Cc2cccc(Br)c2)CC1 2296277082 OJRDDVRSPVKILH-SFHVURJKSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@@H](N)C#Cc1ccc(Br)cc1 2296300668 LBERGTCNAAWQML-RBUKOAKNSA-N 433.390 4.698 30 10 IJEE O=C(O)C=C1SC(=NC2CCCCC2)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 2297508651 UERFZPHZPSBKCV-UHFFFAOYSA-N 431.945 4.596 30 10 IJEE C=CCC[C@H](C)[S@@](=N)(=O)c1cc(I)ccc1Br 2300851504 LRAJSDUEQITYQX-HUTHGQBESA-N 428.133 4.814 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2305318660 FVIAIKPQXILGIC-TYBLODHISA-N 428.573 4.698 30 10 IJEE CC1(C)C[C@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1OCc1ccccc1 2317245315 RAZFUXKFZMQVAA-PMACEKPBSA-N 442.796 4.830 30 10 IJEE Clc1ccccc1CSc1nnc(C2CC2)n1N=Cc1ccc2c(c1)OCCO2 2320858359 AIZATGSKHGFNFQ-UHFFFAOYSA-N 426.929 4.755 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(F)c(C)c2)cc1OC 2323965826 IRUVZGRPHZOPPB-UHFFFAOYSA-N 433.907 4.939 30 10 IJEE CCCOc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)CCCc3ccc(C)cc3)CCN2)cc1 2328263774 RNEMLCKXZNGIGG-AZGAKELHSA-N 448.607 4.626 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccc[nH]2)c1 2328607637 RIBQPXWOZFYGJE-UHFFFAOYSA-N 431.565 4.883 30 10 IJEE OCCCSc1nnc(CC2CCCCC2)n1N=Cc1cccc(Br)c1 2330283282 YFJVHZLFUUEQDM-UHFFFAOYSA-N 437.407 4.520 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Cl)cc1Cl 2330736973 KKPBXYIHTPOJSQ-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccn3)c(Br)c2)cc1 2330967863 HJRRGKPHKGYYRO-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1 2331273629 KCJUYLDKVBFOKA-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C(C)(C)C)cc1 2331362517 SXFSQOOSZKVHQR-UHFFFAOYSA-N 439.560 4.890 30 10 IJEE C=CC[C@H](Oc1ccc([N+](=O)[O-])c(Br)c1)[C@@H]1CCN1C(=O)OC(C)(C)C 2335739398 UDCRQADBGJICAT-HOTGVXAUSA-N 427.295 4.690 30 10 IJEE C=C(I)COc1c(CNC(C)(C)C)ccc(C)c1Br 2352948663 SAYQCAILKDLKFA-UHFFFAOYSA-N 438.147 4.973 30 10 IJEE Cc1c(Cl)ccc2c1NC(=O)/C2=C1/S/C(=N\c2ccc(Br)cc2)NC1=O 15930483 UQIVLPQRXFTEOJ-FYWRMAATSA-N 448.729 4.625 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1cc(C)ccc1C 16717391 YZDZUMSUEYPWHF-MRXNPFEDSA-N 426.973 4.987 30 10 IJEE CCCCN1C(=O)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(C(C)=O)=C1C 20582811 XWRHDBJJLFPBEJ-JOCHJYFZSA-N 438.490 4.520 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccoc1C 21924747 WUFOPRLBIQJDSL-UHFFFAOYSA-N 433.331 4.526 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1)c1ccc(C)cc1 59021095 XLVFKOOFHADURV-XKZIYDEJSA-N 444.358 4.687 30 10 IJEE C=CCOc1cccc2c1cc(C(=O)NCCc1ccccn1)n2Cc1ccc(C)cc1 96280195 OMBICIJQWSTWHP-UHFFFAOYSA-N 425.532 4.930 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)cc1 170048014 KCGJUZGPBMBDPJ-QHCPKHFHSA-N 428.488 4.544 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12)c1cc2ccccc2o1 170076068 SGFPWRDDBZWTJW-MWTRTKDXSA-N 442.471 4.671 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140727 JHUVSTVDPBWKJY-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)c1 170168108 RXUQIPHKSFABOG-LJQANCHMSA-N 440.908 4.584 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccccn2)cc1 170169500 UEZZTPITPXUIEK-NRFANRHFSA-N 436.414 4.541 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccnc1)c1c[nH]c2ccccc12 170191766 GFVCDUZDPUJJSM-NRFANRHFSA-N 431.398 4.624 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@@H]1c1ccncc1 170210430 BYPZCPWEMMIFKK-KRWDZBQOSA-N 435.307 4.775 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F 170250476 DWRQXJYCRLRQBD-NRFANRHFSA-N 435.451 4.823 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cc(C)ccc4O)[C@@H]3c3ccco3)oc12 170289187 MOKUSLKRNVFCKZ-OAQYLSRUSA-N 445.427 4.831 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(C)o1 170299520 QQJYHBSYPSAUFI-HXUWFJFHSA-N 443.377 4.797 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)c1 170319554 FKBOWVXFKDYOEV-LJQANCHMSA-N 427.522 4.595 30 10 IJEE COc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2ccccc2C)cc(OC)c1OC 170436901 NWMFGBHJFFPHAJ-QFIPXVFZSA-N 439.508 4.536 30 10 IJEE N#C[C@H](C(=O)c1cc(Br)ccc1I)c1cccs1 232471444 RJEONFAUHKQROB-JTQLQIEISA-N 432.080 4.605 30 10 IJEE C=CCn1c(SCC(=O)Oc2ccc(OC)cc2)nnc1-c1ccc2ccccc2c1 253573760 RUNKFADLHVMNGR-UHFFFAOYSA-N 431.517 4.991 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccccc2F)/C1=C(O)/C=C\c1ccccc1 254799557 ZHRNKKDBIKBEBO-ZLJLBQBYSA-N 443.430 4.706 30 10 IJEE C=CC[C@H]1N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC2)CCCC1(C)C 461592167 OPVVIGYRLKRHTC-XMSQKQJNSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nccnc2c1Br 491165574 GBFHZBMIXDNKEJ-UHFFFAOYSA-N 442.273 4.521 30 10 IJEE CSc1nc(O)c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#N 518414734 PKJSMFNJIHDTBK-UHFFFAOYSA-N 449.376 4.691 30 10 IJEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc(OC)c1OC 526605657 DMKZLNJCTNZESA-NRFANRHFSA-N 448.500 4.703 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1nc2cc(Cl)ccc2s1 531532045 PQOBDVZVJCOWFO-UHFFFAOYSA-N 430.917 4.798 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 576315653 MDAUIQOHJIKOPX-XJUOHMSHSA-N 434.540 4.790 30 10 IJEE CCCCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1[C@H](CC)N(C)C 596224247 DKVXELRSPHWWTK-FSTYKVKCSA-N 448.681 4.502 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2)c1 609434196 CIRZISYEGNBVCY-UHFFFAOYSA-N 432.524 4.607 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCc2cc(C#N)ccc21 618900864 KIDSRPQYMGNABC-LEWJYISDSA-N 444.362 4.813 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCCCO2)c1C 619863315 RXKKRWQLPYAZQK-RTWAWAEBSA-N 437.588 4.734 30 10 IJEE COC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 708738723 VQLOWUPEJHOXSX-NRFANRHFSA-N 439.940 4.515 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CCCN(C(=O)OCc2ccccc2)C1 720814730 QGLORWGHDRDLGU-DEOSSOPVSA-N 427.545 4.861 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 735345345 GITQMSJJXWSVBW-UHFFFAOYSA-N 429.841 4.631 30 10 IJEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2[C@H]2CC[C@@H]2C)c1 795185874 YQMHVPJUZJBQCK-ONGXBYRLSA-N 435.524 4.566 30 10 IJEE C=CCn1c(-c2cnccn2)nn(CN2[C@H]3CC[C@H]2CC(Cc2ccccc2)C3)c1=S 795694048 NXDMKOXCSIGFKT-SFTDATJTSA-N 432.597 4.500 30 10 IJEE Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCC3CCC(C#N)CC3)[C@H]2c2cccs2)cc1 799385954 LMHNOGZSVBVTEH-WQRTUZRKSA-N 435.593 4.987 30 10 IJEE CCOC(=O)[C@H]1CCCN(CN2C(=O)C(=Nc3ccc4ccccc4c3)c3ccccc32)C1 1083897005 DGRCNJRWVIWWFB-NRFANRHFSA-N 441.531 4.540 30 10 IJEE COc1ccc(OC)c(CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)c1 1125361901 AZSBCJASPZJANJ-UHFFFAOYSA-N 436.895 4.994 30 10 IJEE CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1128160557 APRXZNOSMDPLRF-GZNCHQMQSA-N 427.932 4.516 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2)c1ccc(Br)cc1 1129609596 XVEQFEHDVQRXMK-NRFANRHFSA-N 448.364 4.926 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(I)c(Br)c1 1133391589 OLVKBWFAHKOAST-UHFFFAOYSA-N 436.131 4.776 30 10 IJEE C=CCCCCCCCNC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1141777583 LXXSMRXRKGLUJK-NRFANRHFSA-N 443.588 4.721 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 1142214588 CXUPYPRACJZNDN-TZIWHRDSSA-N 433.577 4.845 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 1142422426 HGDPSYVUEAMFKF-GMAHTHKFSA-N 433.552 4.578 30 10 IJEE CCC(CC)(CNc1nc2c(c(C#N)c1C#N)CCCCCC2)NC(=O)OC(C)(C)C 1185488269 HZENBDGDSUSMDG-UHFFFAOYSA-N 425.577 4.979 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1210248404 OOZUITDGLLBKII-UHFFFAOYSA-N 431.920 4.971 30 10 IJEE COC(=O)c1cc(Br)cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1C 1219184905 AEVQOBBKINJVNM-KRWDZBQOSA-N 430.302 4.711 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1253903279 ZEYSNWYHNLJWFZ-FQEVSTJZSA-N 447.624 4.587 30 10 IJEE C=CC[C@@]1(C(=O)NCCCCOc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1264294989 OSTUEWUNPQVTCQ-QHCPKHFHSA-N 436.980 4.961 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ncc(Cl)cc2Cl)c(C(=O)OCC)c1C 1264357339 LVUVFJGAECDKKF-UHFFFAOYSA-N 443.308 4.530 30 10 IJEE C#CC[C@]1(C(=O)NCCCc2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1264805145 KVGBHETTZINXDJ-JOCHJYFZSA-N 438.490 4.547 30 10 IJEE CC1(c2ccccc2)CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 1266088605 DWPAKPBCZZVYRJ-UHFFFAOYSA-N 427.342 4.716 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl 1276636773 CGLXAEHQFWVIJL-AAEUAGOBSA-N 449.807 4.500 30 10 IJEE C#CCCCCn1c(N(C)Cc2ccc(Cl)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1286335405 QETKTDFEJODMDA-QHCPKHFHSA-N 448.970 4.551 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1CCC(C(F)(F)F)CC1 1286362921 HIDZPQBPCKIOGV-GTPINHCMSA-N 438.469 4.995 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1Cc1cc(C(CC)CC)no1 1286402288 VJILRQHQBJQBRL-UHFFFAOYSA-N 427.508 4.704 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC1CCC(F)(F)CC1 1286415354 AOCKYBGKTOAZLV-UHFFFAOYSA-N 428.552 4.777 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](OC)[C@H](C)CC 1286420770 JQHYGAQMCNBTGG-CTNGQTDRSA-N 438.641 4.800 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCc1nc(C)c(C)s1 1286423306 KAGGCLNNGFDFEP-UHFFFAOYSA-N 441.963 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286554761 IFROYKBOJZHJTO-PBHICJAKSA-N 441.523 4.639 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CC1CC(F)(F)C1 1286559465 WRILQXBUIUKCBB-UNMCSNQZSA-N 430.543 4.640 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1286593134 JGTIFVXOOIBBOB-DOIPELPJSA-N 443.636 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCCCO)CC1 1286638533 DXMRMDHSALLABD-UHFFFAOYSA-N 437.357 4.556 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1286699781 WNNUTTCNXXSXQM-UHFFFAOYSA-N 439.579 4.574 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1ccco1)C1CC1 1286735119 NWCKVNLCTDRQTQ-NRFANRHFSA-N 433.339 4.907 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1286747110 HOYBUADDWCDCNT-UHFFFAOYSA-N 433.585 4.593 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCSC2)C1 1286813428 UVTTYDDRPSXBJU-VQTJNVASSA-N 444.670 4.803 30 10 IJEE CN(CC1CCCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@H](F)C1 1298535578 AEIDUUDMKXKFOQ-SFTDATJTSA-N 425.552 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](c1ccsc1)N(C)C 1300325103 SOYYWDHSZWJMRR-RXVVDRJESA-N 439.654 4.701 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)S[C@H](C)C1 1300393702 KAEYUVKZFHGZCP-CHWSQXEVSA-N 425.421 4.513 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1sc(C)nc1C 1300647153 APMDANLRNRGWPS-UHFFFAOYSA-N 446.555 4.549 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)OC1CCCC1 1300746424 SEBIAHNAHVFXFT-UHFFFAOYSA-N 425.385 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCCN1CCCC1 1300798426 OVJHTFZRHYOYGL-HHHXNRCGSA-N 449.643 4.848 30 10 IJEE C=C(Br)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C1CC1 1300857654 XSRTVJFZOYMJBQ-UHFFFAOYSA-N 439.785 4.759 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1301009172 IBNPLGVVEUTBCS-UHFFFAOYSA-N 430.581 4.633 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=C)Br 1301169846 IHMXGJBZJJSRFE-IBGZPJMESA-N 447.377 4.882 30 10 IJEE C=CCCCCn1c(N2CCC3(CCC(F)(F)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1301198442 JRHALBSWBSOVFY-JOCHJYFZSA-N 438.563 4.692 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1301227941 YBDRATLCEBPWPY-FQEVSTJZSA-N 430.524 4.753 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1301282824 LNXVLMSHFPGXCJ-OYRHEFFESA-N 432.616 4.874 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC1CCN(CCC(C)C)CC1 1301305608 IHOKTHHFPSZXHK-UHFFFAOYSA-N 434.632 4.661 30 10 IJEE C=CCN(c1nnc(COc2ccccc2CC)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1301331457 KZWAVPZMUPWGJX-QHCPKHFHSA-N 437.632 4.695 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1c(C)coc1C 1301405182 BAKLDAJHPQABBI-UHFFFAOYSA-N 427.508 4.903 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1CCc1cc(Br)ccc1F 1301413161 QCPJLWBPJDSCAM-UHFFFAOYSA-N 447.352 4.813 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CC(F)(F)C1 1303908378 CBDCRYHOJUQCAO-BFUOFWGJSA-N 439.869 4.559 30 10 IJEE C=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccc(OC)cc1)C(=O)OCC 1307242924 XEGVXFWQDFBPBC-UHFFFAOYSA-N 429.929 4.808 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(Br)cc1 1309992041 VNNPFNBKSKFNQT-QGZVFWFLSA-N 446.732 4.725 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1)c1ccccc1 1312334735 SMQJQEXBJUXMHT-UGKGYDQZSA-N 445.401 4.915 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1F 1312357695 RBJUHYJLDNSDAK-QOFIPBISSA-N 439.962 4.753 30 10 IJEE C=CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1)C(C)C 1312994630 YFLSOHBEBYUXNL-ICSRJNTNSA-N 449.567 4.533 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC1CC(OC(C)(C)C)C1)C1CCC1 1314700559 DHWYNFRQQQEMSX-UHFFFAOYSA-N 437.588 4.701 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 1352320162 VHLJESQQLGHTPV-GFCCVEGCSA-N 439.256 4.954 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)c(OC)c1 1353763030 PYFPKJHNFJTNKR-BJKOFHAPSA-N 428.532 4.640 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1OC 1354537373 HRHOUCNMRQUECK-YRNVUSSQSA-N 449.547 4.673 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2sc(C)cc2Br)cc1 1355843406 YUSQDUOTSGWZIB-UHFFFAOYSA-N 433.371 4.814 30 10 IJEE Cc1ccc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1-n1cnnn1 1355863091 IAIWQOPBGPNVAC-UHFFFAOYSA-N 430.855 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1scnc1C 1358878470 XCRKDQJWKAZMDR-CABCVRRESA-N 425.627 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@@](C)(CC)O1 1358897721 FIJKQYKKMFXULY-NDIWIEOSSA-N 438.616 4.960 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(C#N)cc1 1358923068 AYAMFYBLBANPJA-UHFFFAOYSA-N 440.370 4.691 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)c1nccs1 1359004573 BQPCIDXCMAVLPY-CYBMUJFWSA-N 448.365 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCSC1 1359066994 XCBOGKPGWZMJBN-IIBYNOLFSA-N 445.430 4.843 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(C)C)C1 1359128597 ZAJKZOAQYPAKOF-HNNXBMFYSA-N 439.423 4.844 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCN(CCC)CC1 1359128912 JUNFWUFMKWLXHP-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)NCCC)CC1 1359200693 NQPJMIGRDDDUMP-UHFFFAOYSA-N 446.599 4.592 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ncccc2F)CC1 1359201650 VJRIIAKIUFAJGR-UHFFFAOYSA-N 436.535 4.587 30 10 IJEE C=CCCOCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)CC(C)(C)C1 1359229626 OWKADPXSUIZRFJ-FQEVSTJZSA-N 426.605 4.939 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)C)C1CC1 1359247651 KZTSCENZRUKPSK-HNAYVOBHSA-N 448.409 4.642 30 10 IJEE COc1ccc(C[C@H](C)CNC(=O)c2ccccc2Oc2ccccc2C#N)cc1OC 1435773429 DMVVFQMZBUUYBD-SFHVURJKSA-N 430.504 4.976 30 10 IJEE COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1 1436204047 FMOKCTLIYZSADC-FOIQADDNSA-N 443.341 4.708 30 10 IJEE CCn1c(SCc2cc(C#N)ccc2OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1458825798 AHKFNKUGGCBAFR-ZDUSSCGKSA-N 425.579 4.775 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)c1 1463019908 RMVKLNBSBAFSBG-UHFFFAOYSA-N 439.920 4.503 30 10 IJEE COc1cc(NC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c(F)cc1C#N 1467074992 DEBBSUOQJZODEB-UHFFFAOYSA-N 432.293 4.664 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OC2CCCCC2)nc1)c1ccc(Br)cc1 1468527673 JYROHIYAZUYVAA-FQEVSTJZSA-N 442.357 4.729 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)C1 1472791832 ARDGFHRRZCZUFJ-IRXDYDNUSA-N 438.494 4.836 30 10 IJEE C[C@H](Cc1c(Cl)cccc1Cl)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1475154716 CHBXQWCHTUGTIR-SNVBAGLBSA-N 437.270 4.793 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 1476283181 GPCCBKBWKRYLNF-UHFFFAOYSA-N 436.531 4.781 30 10 IJEE Cc1csc([C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C(F)(F)F)n1 1476320099 GYYAKIITWDWOIJ-CQSZACIVSA-N 440.838 4.587 30 10 IJEE C=COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 1476727648 XHUAIJWJQOQKRK-TXEJJXNPSA-N 430.295 4.844 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1cc(Cl)cc2c1OCC2)c1ccc(Br)cc1 1478897303 XQNZASQOBDFNCI-XIKOKIGWSA-N 433.733 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1507764276 LGTJAHCDJXWNDL-UHYQSWOWSA-N 440.563 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1507826127 GQWXGUYDQAUUKB-ILBGXUMGSA-N 431.584 4.834 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCOCC(F)F)CC1 1507881599 XSJWVNILHMDEHB-INIZCTEOSA-N 436.572 4.960 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1507885471 BZHZKWALCWRYPI-HSZRJFAPSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1507927136 XVGDLZSQDOHMRS-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1507928598 KTYWRAXGZVEGDB-SYVJQLTCSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1507940753 ATSNSQPKBBJHMZ-HXUWFJFHSA-N 428.552 4.605 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](COCC)C1 1507942753 UZONRKQDWKANLI-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1507996986 NGFBDMVIJVGJRV-DFBJGRDBSA-N 425.596 4.673 30 10 IJEE 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1663084953 RXPMHOITNMZCFG-GXSJLCMTSA-N 443.226 4.686 30 10 IJEE Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccc(Br)c(C#N)n2)c1 1663862326 AZAAMFYSYUDDSY-UHFFFAOYSA-N 425.286 4.852 30 10 IJEE Cn1cc(CNC[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 1664264748 ICDYFRPESOKYMM-NDEPHWFRSA-N 441.623 4.987 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1 1666389411 FYXFJPBSJTVGSF-UHFFFAOYSA-N 430.549 4.504 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1 1667787247 GGZALYOKJVZTCK-DHIUTWEWSA-N 428.492 4.584 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1cccs1)C(C)(C)CO 1672214163 FGPOURRGJFYPLP-KRWDZBQOSA-N 439.375 4.957 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1685820515 XOZQBQHRAVLJHZ-STQMWFEESA-N 434.327 4.570 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1689894861 ADSKPVDMPJIJIW-GHTZIAJQSA-N 435.374 4.832 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CCN(CCC)CC1 1690063870 RRTLRQSAJIBTCA-LJQANCHMSA-N 439.673 4.713 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1690091572 YBRZXWATHSHKKI-HFZDXXHNSA-N 439.623 4.766 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(F)(F)F)c2)CC1 1690378847 DVLWERWVCNZVDU-UHFFFAOYSA-N 433.503 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1690434860 JHFHWQZFKSALFH-JOCHJYFZSA-N 435.547 4.583 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1690490291 VSFWGDYJZNBBLU-AZUAARDMSA-N 435.597 4.618 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(Cl)cc1OC)C1CC1 1690541389 YUUANOCAQLCEBL-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1690571799 JGZWOQBNCAPJMD-KSEOMHKRSA-N 428.552 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCCCC2)nc1 1690589947 HHTPGRKBFBQNGO-UHFFFAOYSA-N 432.547 4.696 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCC(F)(F)C1 1690611446 MCJHKPFTGNLTTA-SFHVURJKSA-N 441.526 4.876 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1690737025 WZMZJUCACZLOLE-UHFFFAOYSA-N 442.629 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1cccc(C)c1 1705479816 MASQSVOPSHSNAK-IAGOWNOFSA-N 440.389 4.616 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC12CCC(CC1)C2 1705577516 IXSZGDUQIBVMPN-UHFFFAOYSA-N 437.385 4.669 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C1CCC(C)CC1 1705653231 CIXUIVXURVWCNI-JLAWEPINSA-N 430.593 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1ccc(OC)c(Br)c1 1705666730 ICWHCWUUSAYVAP-YCRPNKLZSA-N 431.378 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCN1CCC 1705670700 FXEBGHUQRXHKBX-YADARESESA-N 443.998 4.994 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1705676712 LZLYIMXYQYRXJZ-AWVRMFGXSA-N 447.671 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC[C@H](C)C1 1705709644 CMKDGFYWVOBLIR-HKUYNNGSSA-N 429.996 4.700 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1705765946 IFHDRYDGTAKKNA-REWPJTCUSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1705770464 HGKQEMFXUCRLTD-UHFFFAOYSA-N 435.494 4.552 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCO[C@H](C)c2ccccc2)CC1 1705783965 BNEMBWOFHUPXMN-JOCHJYFZSA-N 448.615 4.710 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cnn(C)c1C 1705798337 PSXRJEQOFACILT-UHFFFAOYSA-N 429.572 4.766 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1705827124 VHJVUDDNBAFNSF-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1705831946 ILOWXSBEQMAAMP-UHFFFAOYSA-N 435.572 4.504 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1cccs1 1705835075 ZGFOJSRYPYJVHR-VFNWGFHPSA-N 432.977 4.663 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOCC)CC1 1705836564 XJOHKRKWLDEIJQ-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCN1CCCC[C@@H]1CC 1705859376 QKGYPPCLKVPFOS-QHCPKHFHSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@@H]1CCCN(CC(C)C)C1 1705859682 DGVAZGDNVVCNDB-XMMPIXPASA-N 446.643 4.978 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(OC)c(Br)c1 1708450737 DDBIGXKAHQTWSL-HNNXBMFYSA-N 446.393 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nc(C)c(C)s1 1722304357 YWWMXWHDCFMOJI-ZDUSSCGKSA-N 432.018 4.803 30 10 IJEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1722319705 PGLMKBRPIMNSFZ-MOPGFXCFSA-N 427.618 4.549 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC2(CCOCC2)C1 1722326472 GJGHOORKDUHDHC-LJQANCHMSA-N 442.991 4.882 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1OC)N1CCCC1 1722513061 QIRZVBYNNMWCQX-HSZRJFAPSA-N 448.615 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 1722576891 QQWWOHUWSWRSLI-QFIPXVFZSA-N 436.629 4.887 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCOC[C@H]2C)CC1 1722577119 XWTWQXSZRSMKEH-AEFFLSMTSA-N 445.405 4.783 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722581596 DXOOVBDMDHUUJX-JTHBVZDNSA-N 449.643 4.917 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1722595262 VEXZLTMKBLUWPV-IMFGXOCKSA-N 444.505 4.673 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCCCC1 1722655872 SWROZKLOVACTQA-UHFFFAOYSA-N 443.599 4.602 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CC[C@H](OC)C(F)(F)F 1740676884 AWQOZRDWZJOJJG-QAPCUYQASA-N 426.458 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@@H](C)C1 1740753143 GDKZTCVUXRITBJ-MDZRGWNJSA-N 448.409 4.643 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC(CC)(CC)C1 1740787852 LEJQHXSGSHJMAL-UHFFFAOYSA-N 445.589 4.558 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@@H]1CC 1740791214 XZCGPFIUEUZSRV-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1740853896 JMRMTNHBIBKAHJ-QFIPXVFZSA-N 428.540 4.941 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(=O)CCC)CC1 1740861757 XMNAIRHFRBBKHJ-UHFFFAOYSA-N 448.615 4.678 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740883341 QOIVCCJEPVEQHJ-HSZRJFAPSA-N 432.996 4.833 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H](C)C1 1740883708 CTGBNISGHXKGRK-LSDHHAIUSA-N 439.423 4.844 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(CC)s1 1740898304 JXXMHWSGLJTCBX-QGZVFWFLSA-N 445.633 4.687 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CC1(N2CCCC2)CCOCC1 1740922445 HNTSGKBPTURNSS-FQEVSTJZSA-N 443.661 4.691 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1c(C)noc1C 1740935076 AXWRGGKTEDRHEY-SFHVURJKSA-N 430.556 4.917 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1740942702 ZZCHYJAJAAXCKD-XGAFWQRZSA-N 441.576 4.530 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(C(F)(F)F)CC2)cc1 1740965648 DMBYKCHDHHQCOJ-UHFFFAOYSA-N 431.462 4.665 30 10 IJEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCC1)c1cccnc1 1741319956 IBEJSPCXCNNWBI-XMMPIXPASA-N 444.583 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1Cc1ccnc(OC2CCCCC2)c1 1748660647 VXQWCEJSQWKOCC-GOSISDBHSA-N 433.531 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(C(C)C)n1 1748674146 PYAXWMZDMOEBIG-MRXNPFEDSA-N 428.005 4.803 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC2CCCCC2)CC1 1748737112 XHZFKBIBIJZVNN-VWLOTQADSA-N 433.644 4.936 30 10 IJEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1748757869 NCWOPBJRIWXUSU-OAQYLSRUSA-N 449.624 4.770 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccncc1Cl 1748777678 WDRQURJDHZISFP-UHFFFAOYSA-N 437.931 4.979 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1748930585 RIHPOBUPHHFGSU-SFTDATJTSA-N 442.051 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(Cn2cccn2)c1 1749148791 GOADNEJACOKOQO-UHFFFAOYSA-N 447.974 4.689 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccnc(OCc2ccccc2)c1 1749152761 GBWAORKXLWHXMK-UHFFFAOYSA-N 440.551 4.765 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](OCCOCC)C1 1749257015 GWOSKKIBXCXICF-FQEVSTJZSA-N 432.996 4.627 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](CC)N2CCCC2)CC1 1749286781 RDWKBRFMEWFNTP-CTNGQTDRSA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2CC(OC(C)(C)C)C2)CC1 1749293307 IQHQFVPTONZQIX-UHFFFAOYSA-N 439.560 4.994 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)Oc2ccccc2F)CC1 1749316347 FUBBZGXCHBXUCD-NNMXDRDESA-N 442.579 4.960 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@@](C)(O)C(C)C)CC1 1749331627 RAJUTPFAKCSIFP-MZNJEOGPSA-N 428.646 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2CCCO2)CC1 1749356027 WCCQDQUCBKZILG-OAQYLSRUSA-N 439.560 4.851 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(CCC)Cc1ccc(F)cc1F 1749359105 URQZTKMPUGCAJK-UHFFFAOYSA-N 428.531 4.976 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1749539176 VTYHJHRXJURMSB-VXKWHMMOSA-N 449.599 4.538 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCCc1nc(C)no1 1749540838 CNQIQKBNAXSTQP-UHFFFAOYSA-N 436.491 4.502 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cl)cc1F 1749544153 AWMWEPUDTOKILY-UHFFFAOYSA-N 447.967 4.511 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749756554 ZIXVIEMZZHIOMJ-GOSISDBHSA-N 433.691 4.731 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1C(F)(F)F 1760141262 OPRQPBGGHXUAHP-UHFFFAOYSA-N 444.505 4.598 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1ccsc1 1760324266 JJACRMCRIRLLQI-NFBKMPQASA-N 438.597 4.557 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1760398495 APQVKDQDVUBZEG-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760428239 RMBNPRMFFUCVLP-SJORKVTESA-N 437.009 4.821 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCCCCC[C@H]21 1760451751 RXRZRUXUURJMPA-XMSQKQJNSA-N 430.543 4.899 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccnc(OC2CCCCC2)c1 1760492661 BJQMELGYNJTWEY-UHFFFAOYSA-N 430.556 4.673 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1762802390 GNYFDLUCSMQWJP-KWLQHXCVSA-N 434.632 4.952 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1767515528 AVMMERNVYOIBHP-FCHUYYIVSA-N 434.632 4.810 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCCCC1 1770550780 ICWWPVQHUITIEF-FQEVSTJZSA-N 425.602 4.641 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1)C(=O)C2=NNc1ccc([N+](=O)[O-])cc1 1772722122 ANAPCKQIHJOOEW-PKTZIBPZSA-N 438.459 4.536 30 10 IJEE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=S)Nc3ccccc3)cc2)cc1 1772733664 HVVZKVNIPWJANY-UMHYVHHGSA-N 431.517 4.635 30 10 IJEE Cc1ccc(-c2nn(-c3ccc(N4CCC(C)CC4)cc3)cc2/C=N\NC(N)=S)c(C)c1 1857807790 ZXOKPSBWAXYDAV-DICXZTSXSA-N 446.624 4.560 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-c2ccccc2)cc1 1862117463 FAIYPXPCMZROQJ-AREMUKBSSA-N 440.543 4.601 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862397843 UDYCZSUBZYAQSG-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc(Cl)c1O 1862484308 LTWYLDMOCOKAJV-IBGZPJMESA-N 429.900 4.597 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(F)c1)c1ccc2c(c1)CCCC2 1862545368 YMPFNZUHAHKQRN-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1Cl 1862568963 CLJMVLFQJZQWSR-RNODOKPDSA-N 429.900 4.734 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862583213 VQVVLTQRJFDOOC-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(O)c2)cc1 1862614170 ZMCYWRSUTBKVGF-HSZRJFAPSA-N 442.515 4.863 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1C(=O)O 1862617710 ZUAFKYRKSNGTAC-NRFANRHFSA-N 435.520 4.917 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862663441 ROGZKAUCTWYZDJ-XMMPIXPASA-N 443.499 5.000 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862676383 IBNCNDWWCLBXBE-HXUWFJFHSA-N 426.444 4.893 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862709839 GKVVTJWSBHJBOF-BUXKBTBVSA-N 444.871 4.634 30 10 IJEE COc1ccc(C)cc1NC1=C(c2c[nH]c3ccccc23)C(=O)N(c2ccc(C#N)cc2)C1=O 1863129301 HCZSJZQZOWBNAH-UHFFFAOYSA-N 448.482 4.753 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)c(C)c3)C2=O)cc1 1863254034 IYAGVDWHIMLTOH-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(C)cc2Br)=C(c2ccc(C)cc2)C1=O 1863273998 DGHCRTMGTYLIGP-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCC3=CCCCC3)C2=O)cc1 1863329877 NYILUVUTBRWVGX-UHFFFAOYSA-N 427.504 4.649 30 10 IJEE N#Cc1ccc(COc2cn(C[C@@H]3CCCO3)c(CSc3ccccc3)cc2=O)cc1 1870233489 RPXKJYBGPBXZHA-QFIPXVFZSA-N 432.545 4.770 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CCC)CCC)cn1CCCCCC 1870462919 SKQARWFKKSPYRV-UHFFFAOYSA-N 445.648 4.630 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2cccc3ccccc23)cn1CC=C 1870593529 YAAKXARFRBGEPG-UHFFFAOYSA-N 430.548 4.819 30 10 IJEE CCCCCCCCCCOC(=O)COc1ccc2c(CC(=O)OC)cc(=O)oc2c1 1871427335 ZAQQZJBUORBBBX-UHFFFAOYSA-N 432.513 4.571 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 1871428603 KLFCUNIJOYATKT-FMCGGJTJSA-N 433.435 4.776 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871441868 NKFJCKJJYALEAN-FMCGGJTJSA-N 431.419 4.662 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)CC 1871832882 GLFLCMXYNIEITO-HSZRJFAPSA-N 428.598 4.937 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)CCC 1871838103 BNOYMLIMOQRHAP-QFIPXVFZSA-N 430.570 4.670 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872492629 CCWDOXASNMFJLK-LAUBAEHRSA-N 434.627 4.931 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 1872784827 YNKGZQBPSCHDOP-YOCVDRLZSA-N 435.461 4.625 30 10 IJEE COc1cc(Br)cc(/C=N/Nc2oc(-c3cccs3)nc2C#N)c1OC 1873461995 ITTWGOHKAMVGPQ-AWQFTUOYSA-N 433.287 4.500 30 10 IJEE CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc(O)cc1O 1874197191 XHRLFLNRPMNNJV-PCLIKHOPSA-N 448.548 4.848 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cc(C)ccc2O)c(C)c1 1874515344 XBVADVHZDBDMKV-WYMPLXKRSA-N 437.569 4.645 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1OCC(=O)NCc1ccco1 1874595687 YRJCNFQNMBYHCH-VQHVLOKHSA-N 425.868 4.533 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1Br 1874609333 KZHOMSFYMCYUGG-WUXMJOGZSA-N 446.341 4.601 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])cc1 1875162875 UVIXRHYBZFRLPE-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)n[nH]2)c1C 1889716765 HLFDNHKFHLINQJ-UHFFFAOYSA-N 428.334 4.789 30 10 IJEE Cc1nsc(C(=O)Nc2ccc(C#N)c(Br)c2)c1NC(=O)OC(C)(C)C 1963655188 GUFCZWSFOMKLPW-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(Cc3ccc(Br)cc3C#N)CC[C@@H]21 1966397966 FMWYUAWHBBKGQM-APWZRJJASA-N 434.378 4.542 30 10 IJEE C=CC1(CNc2cc(I)cc(I)c2)CCC1 1980027143 MOAKPWCAPNAFFQ-UHFFFAOYSA-N 439.078 4.664 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2ccc(Cl)cc2Br)C1 2063050996 KJGOREBIWYXOPA-INIZCTEOSA-N 429.786 4.833 30 10 IJEE Cc1ccc([C@@H](n2nc(C)c(/C=N/O)c2I)C(C)(C)C)c(C)c1 2078998550 GUPVBBABDAYACK-OVEPSTSESA-N 425.314 4.857 30 10 IJEE COC(=O)c1nn(Cc2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1Br 2079196380 UNOLYBBBIDUODR-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE O/N=C/c1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079231136 WOHSOPSCDGCXFV-LKNXVUQUSA-N 434.109 4.679 30 10 IJEE CCc1nn(-c2ccc(F)c(C(F)(F)F)n2)c(C(F)(F)F)c1C(=O)OC(C)(C)C 2079233824 GQZUXFANXJTOMT-UHFFFAOYSA-N 427.320 4.962 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1F 2102880600 QWUXSCXNJYUEAH-WMZOPIPTSA-N 427.358 4.936 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)Cc1ccc(Br)cc1C#N 2174590557 FPCKDXRMVALJLD-DNVCBOLYSA-N 436.394 4.788 30 10 IJEE C[C@H](C1CC1)N(CCC#N)C(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2181053484 MECIHXVLOYKNKI-CYBMUJFWSA-N 436.350 4.950 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC(CCC#N)CC2)ccc1Br 2181056868 YQFVPXZDZCIFEJ-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN2c2cc(Br)c(C#N)cc2F)C1 2182070328 UWGTWCMXNLVDBP-FQEVSTJZSA-N 438.341 4.830 30 10 IJEE CCN[C@@H](C#Cc1cccc(Cl)c1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216978244 WTMGXFOAZYZZKO-XZOQPEGZSA-N 442.987 4.780 30 10 IJEE Cc1cnc(Nc2cc(F)ccc2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232312124 RDXIVOWZTBASHN-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1 2235725089 CZBDEQLYEJRJOG-GOSISDBHSA-N 433.390 4.616 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)C1CCCC1 2235732370 YXZVQPUDJPKZOP-GOSISDBHSA-N 435.406 4.958 30 10 IJEE C=C(c1ccccc1)[C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237404514 HOKMULQKDHYVPK-WOJBJXKFSA-N 432.358 4.959 30 10 IJEE COc1cccc(C#C[C@@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1 2237738711 OWLXASHZPSFIRX-LJQANCHMSA-N 432.314 4.890 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)Cc1ccco1 2255600117 LKKMYQMCJRQANU-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2261827440 GXAYGZNXODFONO-FYYLOGMGSA-N 449.588 4.806 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 2294143964 XTHJZTWJLWUZBC-UHFFFAOYSA-N 431.872 4.736 30 10 IJEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1cccc(C(C)=O)c1 2295203781 AFNDUNQKUOUOFK-UHFFFAOYSA-N 439.562 4.892 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C 2296224412 JSKQCQMBBLHJQL-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](O)C#Cc1cccc(Br)c1 2296233683 ZTDXDICIRCAVLS-SLFFLAALSA-N 436.390 4.691 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@H](N)C#Cc2ccc(Br)cc2)C1 2296287939 ATDRKNFVTOVJIW-PKOBYXMFSA-N 435.406 4.801 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 2296289309 QHOUXMYJDAKJPJ-UUKMXZOPSA-N 435.406 4.862 30 10 IJEE CCCC[C@H](CC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319673396 BFSWSDKYMVXVQI-UZUQRXQVSA-N 438.418 4.545 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc(-c4ccccc4)cc1)O3)CN(C[C@H](C)O)CO2 2322099024 UUXDMRBLWRYYTK-SFHVURJKSA-N 427.500 4.811 30 10 IJEE COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1cccc(C)c1 2322312391 CPDWYMSBHUSSKU-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2-c2ccccc2OCC)ccc1OC(C)C 2323520800 JYYWAPUGBATWIF-UHFFFAOYSA-N 426.542 4.701 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)c(OC)c1 2323768186 WZJFHRYIMBBNCJ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2324451574 ZXCASEHBPQDVBX-KRWDZBQOSA-N 435.461 4.625 30 10 IJEE Cc1c(OCC(=O)NC2CCCCC2)ccc2c1OC(=Cc1cn(C)c3ccccc13)C2=O 2325325346 CLSLOSPQHWIOQA-UHFFFAOYSA-N 444.531 4.931 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(OC)c4)c3C)C2=O)cc1 2325572184 ZQTQSOIEVJIYPR-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COC(=O)c1ccc(Cl)c(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)c1 2325669483 CISBTUWQFJFVSN-UHFFFAOYSA-N 449.890 4.927 30 10 IJEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)NCc1cccc(C(F)(F)F)c1 2325714384 QTZBJVMTGCSXFI-UHFFFAOYSA-N 430.195 4.506 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326552216 LDOCWXBIYICZJP-UHFFFAOYSA-N 445.932 4.975 30 10 IJEE Cc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2328998224 HHKWLIVZGUVCDU-JOCHJYFZSA-N 447.608 4.794 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3C)nnc2[C@@H]2CCCO2)c1OC 2330899841 VYSKRXNCEGNIKG-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE CCCSc1nnc(C2CCCC2)n1N=Cc1cc(Br)cc(OC)c1O 2331081605 NCVPUXATHXYJGP-UHFFFAOYSA-N 439.379 4.797 30 10 IJEE COCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 2331592470 NKVIMLMOAFXJQO-UHFFFAOYSA-N 448.471 4.944 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)N(CCC)CCC)nnc2C(C)C)cc1 2331706972 WWYRNRKLSPHYOQ-UHFFFAOYSA-N 445.633 4.813 30 10 IJEE CC#CCN(C[C@@H](NCC)c1ccc(Br)c(F)c1F)C(=O)OC(C)(C)C 2337901965 TXVRBQQULAMSOO-OAHLLOKOSA-N 431.321 4.638 30 10 IJEE CCc1csc(C#C[C@H](O)c2ccc(Br)cc2NC(=O)OC(C)(C)C)n1 2338638842 WPHLGQMXCCKRHJ-INIZCTEOSA-N 437.359 4.900 30 10 IJEE C[C@@H]1[C@@H](C)N(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339540446 VVLMNSGWZRXURN-QZTJIDSGSA-N 443.397 4.560 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339586205 BASVLGZOGSVLGP-LUOJLBBYSA-N 443.397 4.784 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3cc(Cl)cc(Br)c3)C2)OC1(C)C 2342466525 AUXXXQKZMHNYRW-SFHVURJKSA-N 428.563 4.801 30 10 IJEE CC[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844577 SPKDORYFIJVPMW-MZBJOSPHSA-N 448.460 4.937 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@@H]4CN(Cc5ccccc5)CC[C@H]4C3)nc2)OC1(C)C 2365106021 ZTHCMDACKZHOGF-MJWMLUGYSA-N 445.416 4.685 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 14470881 GXQNYXQETXPZMF-QYWGDWMGSA-N 445.928 4.539 30 10 IJEE CCOc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 33812280 AVOVVJVEZBTNLK-LPYMAVHISA-N 431.400 4.829 30 10 IJEE CCCCCn1c(O)c(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c(C#N)c1=O 38616792 XNKUPGZWYFTOCD-MRXNPFEDSA-N 430.932 4.845 30 10 IJEE CCOc1cc(/C=C2\S/C(=N/c3nnc(C)s3)N(c3ccccc3)C2=O)ccc1O 39866451 RRQHPTZUEMDZEH-NOQVSKCTSA-N 438.534 4.759 30 10 IJEE Cc1sc(NC(=O)[C@H](C)n2c(N)nnc2SCc2ccccc2Cl)c(C#N)c1C 40173225 HKNCPYPOMBXOBG-NSHDSACASA-N 446.989 4.556 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccnc3)C4)C2=O)cc1 41587386 FMZJOVHLOCBCRQ-KSEXSDGBSA-N 428.488 4.757 30 10 IJEE COc1ccc(-c2nc(SC)nc(NCCc3c[nH]c4ccccc34)c2C#N)cc1OC 62039760 KERWVOZOFLOFLE-UHFFFAOYSA-N 445.548 4.890 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1 103109178 JJEMAFPZOKLBBD-SADKCHQCSA-N 434.517 4.554 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)c1 169957689 DZGLXHIFKONFNX-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(O)cc1 169962108 MMKDZXCKZHDINW-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2cccs2)c1 169981650 ZQMQFMNSVBWHDW-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170058654 UHQZHHRSDOWMIJ-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 170126378 IJOCSZDTHOUPFT-NRFANRHFSA-N 427.472 4.530 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1Cl 170163159 JJPAGGAWTILHAC-IBGZPJMESA-N 440.908 4.584 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)c1 170241175 XNSOBPSPDOBFSR-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1c[nH]c2ccccc12 170256012 VFYRZJIULHZRTP-HSZRJFAPSA-N 448.519 4.954 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1cccc(O)c1 170263005 ANOYURYMOPFARR-LJQANCHMSA-N 429.900 4.741 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C)o2)c(C)c1 170304723 DXPGSWXXFRADCO-HSZRJFAPSA-N 445.471 4.759 30 10 IJEE CCOc1ccc(N=C2S/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)N2CC)cc1 252631371 VKDVFVVOMACYGO-ZOAXWHFDSA-N 442.537 4.735 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)OC1(C)C 404944810 BPBSIJBGYUYOSQ-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1CCC 407023289 QQPLGKPGXRHRNI-HOTGVXAUSA-N 429.403 4.566 30 10 IJEE C=CCc1cc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1OC 474883987 ALRSWYYTIFNCRX-FQEVSTJZSA-N 435.442 4.665 30 10 IJEE CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccc(C)cc1 488889543 BOBCNJNSFDJOER-CQSZACIVSA-N 437.594 4.815 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)c2)cc1 521492215 GMLBCSJWSSKUAN-HSZRJFAPSA-N 427.460 4.720 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccncc2)cc1OCC 526523645 ZZHNOMAQHNGZCM-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE CC(=O)Oc1ccc(/C=N\n2c(C)nnc2SCc2ccc(Cl)cc2Cl)cc1 526823479 LVQRJTWLMCTCIZ-YVNNLAQVSA-N 435.336 4.993 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OC)cc1 526828514 GVANMIKFGJWILC-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE C=CCn1c(C2CCCC2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 548916096 NPPNTRXJNZLIIZ-FQEVSTJZSA-N 425.964 4.727 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)C2)c(F)c1 553122944 HKFDIPHHNXALKC-ZDUSSCGKSA-N 441.812 4.757 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 554630730 BVMDVHXYDLHPRB-MRXNPFEDSA-N 448.354 4.838 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2cccc(O)c2)C1 573142034 CCLGWUAHFWANIY-IBGZPJMESA-N 431.323 4.721 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 581256390 UBYIYSCYVWPCDF-WMZHIEFXSA-N 434.540 4.504 30 10 IJEE C=CCn1c(CCc2ccco2)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 582658649 NQYOYHCTSYMLMI-UHFFFAOYSA-N 437.594 4.898 30 10 IJEE C=CCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586257527 JPZAPZSGPCYWMX-UHFFFAOYSA-N 434.989 4.966 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2c3ccccc3C[C@H]2C)nnc1-c1ccc(Cl)cc1 599904878 LDQQYRPAJPURLI-VFNWGFHPSA-N 438.984 4.926 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1CC 742213435 INIBLSUVPNZCRM-OAQYLSRUSA-N 437.540 4.762 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)ccc1Cl 743799240 TWYKUTPYXJKQQM-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc4ccccc4n3C(F)F)CCC2=O)cc1C 760968617 LCJHHHNGBVXMBC-WMZOPIPTSA-N 436.462 4.668 30 10 IJEE CC(C)c1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(CO)c2)c1 762440531 NAOLLAVVVSOYKB-UHFFFAOYSA-O 430.553 4.785 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@]3(C2)OCc2ccccc23)c1=S 774704610 WGLCNZDKYHCMFW-VWLOTQADSA-N 432.593 4.670 30 10 IJEE C#Cc1cccc(NC(=S)Nc2cnn(-c3cc(F)c(OC)cc3F)c2CCC)c1 795052073 YLQOWKJBYRBSCG-UHFFFAOYSA-N 426.492 4.902 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccccc2)CC1 802146655 ZXZIZIOVKCFRTQ-NRFANRHFSA-N 437.588 4.597 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 802577645 KNYXLBDUXPRZOE-UHFFFAOYSA-N 445.995 4.592 30 10 IJEE C=CC[C@@]1(c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCN1C(=O)OC(C)(C)C 1117195668 KFQSJBVHCVTBGL-QHCPKHFHSA-N 445.516 4.565 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 1124334096 QQPWACVDWHLUNW-MRXNPFEDSA-N 436.368 4.874 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 1129702774 KSZNKCJJUJPZOU-UHFFFAOYSA-N 430.258 4.516 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 1136493679 JYSZANZKVUVHBL-NHCUHLMSSA-N 434.552 4.583 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 1136718673 ASBLKEBTZJQJQX-KRWDZBQOSA-N 441.576 4.753 30 10 IJEE C=CC1(CC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CN(C(=O)OC(C)(C)C)C1 1153722498 LGCCMELNCYVDPJ-KRWDZBQOSA-N 438.490 4.835 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1OC 1168716901 TYQXQJKGVWZIHI-OAHLLOKOSA-N 427.339 4.646 30 10 IJEE C=CCOc1c(Br)cc(CNCCOc2ccccc2Cl)cc1OC 1178280780 SHGBLCFMNFHMEJ-UHFFFAOYSA-N 426.738 4.845 30 10 IJEE C=CC[C@@H]1N(S(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)CCCC1(C)C 1189784556 HCEDOHGLQMKQGE-KRWDZBQOSA-N 436.401 4.774 30 10 IJEE Cc1ccc([C@@H](NC(=O)COc2cc(C#N)ccc2Br)c2cccs2)cc1 1189901779 GCAXYQYADPTKOT-OAQYLSRUSA-N 441.350 4.975 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCN(Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)cc1 1194664955 KLQCKUXWIPCZFV-RUZDIDTESA-N 438.015 4.882 30 10 IJEE C#CCN(C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCc2ccccc21 1224839767 YCPZFFWBFSLDTE-BKMJKUGQSA-N 439.600 4.746 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1286281285 FLYGSFBEHZWBGT-BHIFYINESA-N 444.627 4.709 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CCC1CCN(CC(F)(F)F)CC1 1286438768 FCFBOQKSFGQUJL-UHFFFAOYSA-N 447.549 4.631 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC[C@H](C)C1 1286440579 DVYGFYFQNQCCNY-IBGZPJMESA-N 444.023 4.579 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CC)CCCC1 1286462372 IUNNWSNWMMIGNA-UHFFFAOYSA-N 433.556 4.657 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1286558896 RUGHWIAOBBPYRY-PXDATVDWSA-N 437.632 4.563 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1286605526 ZNKXOEFBRFKKFH-KDURUIRLSA-N 437.613 4.725 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2(C)COC2)CC1 1286640380 JNKSCEDZGLIMJG-UHFFFAOYSA-N 437.769 4.554 30 10 IJEE C=CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CC1)c1ccccc1 1286678356 VOSNANFKCKPOTH-INIZCTEOSA-N 426.362 4.994 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286695820 JXQBMQOIHXUJQP-UHFFFAOYSA-N 429.996 4.648 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCC[C@H]1C)C1CC1 1286732271 OSWOJNAEZIRYEY-SAHWJRBASA-N 430.980 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CCNC(=O)OC(C)(C)C 1286747014 DPDCNYMECJIARW-UHFFFAOYSA-N 439.585 4.724 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286771609 AIMYXHZRYKERGS-DLBZAZTESA-N 437.357 4.673 30 10 IJEE C=CCn1c(C2CCC2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1286774596 XPFIYZCTCXERKB-UHFFFAOYSA-N 425.886 4.730 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(Br)s2)C1 1286800567 MYWQKVGDGUIKPC-HUUCEWRRSA-N 439.423 4.640 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(COC)CCCCC2)C1 1286805383 SBCAYOSVWMCJMG-OAQYLSRUSA-N 445.007 4.977 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CCOCC1 1288505893 DAWICCJAOJUIKY-KRWDZBQOSA-N 427.618 4.831 30 10 IJEE C=CC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1)C(=O)OCC 1296236239 GYDOAIHCAFIGJS-QHCPKHFHSA-N 431.536 4.900 30 10 IJEE CN(CC1CCCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cccs1 1298526240 AURPROVLMVMYKU-DEOSSOPVSA-N 435.597 4.802 30 10 IJEE COC1(Cn2c(CCCc3ccccc3)nnc2N2CCC(CC#N)CC2)CCCCC1 1299815620 BNKJVCMGWWGGDI-UHFFFAOYSA-N 435.616 4.933 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1c(C)noc1C 1300272880 CIFOSEUZRQFCFW-MPGHIAIKSA-N 441.963 4.938 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)C1CCCCC1 1300284928 VWKCMQJTIUOWKO-MOPGFXCFSA-N 439.673 4.854 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1300384649 UNAVUBNYUUNYAS-NRFANRHFSA-N 446.599 4.998 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccc(C)cc1OCC(F)(F)F 1300779485 BJJQHJDEYRCUIJ-JOCHJYFZSA-N 434.506 4.866 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1300829493 FEHICPWENSCBHI-CZUORRHYSA-N 434.338 4.777 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)CC(C)(C)C1 1300848283 CGCVGJGKWRBOBC-KDOFPFPSSA-N 447.377 4.572 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1300960667 CLXBKPBQTIXBCX-QHCPKHFHSA-N 437.632 4.568 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C)CC1 1301175115 YXTZFWFCGGKXKP-GOSISDBHSA-N 429.996 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2noc3c2COCC3)n1CCC=C(C)C 1301362719 IWYDNMHBCUOVML-UHFFFAOYSA-N 425.558 4.616 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(OC)C1CC1 1301375195 LJLJCLYASJSMOP-NRFANRHFSA-N 431.378 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1301397073 LNSMBXUYOHVFJB-UHFFFAOYSA-N 441.576 4.977 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@H](C)C1 1301399441 NFFFNQSNHTWZJJ-IFMALSPDSA-N 444.583 4.597 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1nc(C)c(C)s1 1301401959 IHOPLBJXHJERMU-OAQYLSRUSA-N 437.613 4.529 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)cc2)cc1 1302364565 VBPRUTWVVYOIFY-AREMUKBSSA-N 425.488 4.774 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1OC)c1ccccc1 1309810416 NRWCOQKYMDXMIW-KRWDZBQOSA-N 442.350 4.973 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)Nc3cccc(CC#N)c3)C2)C1 1310750364 BYMDSSOTENWDKJ-PMACEKPBSA-N 426.561 4.644 30 10 IJEE C=CC[C@]1(C(=O)N(C)Cc2ccccc2OC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1352033145 AMTYRRNOMYJWNJ-OAQYLSRUSA-N 442.478 4.889 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCSc2ccccc2)c(C(=O)OCC)c1C 1352793236 LDQJVURLGQXVPT-UHFFFAOYSA-N 433.551 4.697 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc23)c1 1356487833 ZVXXYYHUWUPTTM-UHFFFAOYSA-N 447.538 4.893 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 1358124468 MOVAFDUVDZGNTN-UHFFFAOYSA-N 436.499 4.821 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC(C)C)c1 1358470588 MBTBZHDWLLEGRY-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCC[C@H](C)C1 1358875634 TYAXOKIXCWQAGW-RBUKOAKNSA-N 448.640 4.567 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1cccs1)N1CCCC1 1358883257 RBBXDMRTJVQEFZ-YLJYHZDGSA-N 440.016 4.955 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCN(C(C)C)C(C)C 1359064177 NCUBUIWFBINJIX-CJFMBICVSA-N 441.595 4.668 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCc1ccnc(C(C)(C)C)n1 1359072462 DXZGESWRJICHCU-RUZDIDTESA-N 448.640 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccoc1 1359103279 MHDCBWJUBXUOMV-QPPBQGQZSA-N 436.556 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1359108985 KYHDSMBDGMMORZ-UHFFFAOYSA-N 442.873 4.703 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359117647 MIBQLRNXSZVGCN-NQIIRXRSSA-N 428.577 4.644 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1359152277 RAYNEONVGOIEDR-KRWDZBQOSA-N 446.933 4.554 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359160892 ILZBDUVBAUOMFC-HXUWFJFHSA-N 445.558 4.823 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1359161191 TYKMTHKKFURNGU-OXQOHEQNSA-N 434.382 4.540 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCc2cccc(C)n2)CC1 1359162137 FLSHAXAAZMMFQW-UHFFFAOYSA-N 447.583 4.845 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3sccc3c2)CC1 1359173907 REGZAQGOTPUQGK-KRWDZBQOSA-N 426.586 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359185726 GZIDRDPWHKAALE-OAQYLSRUSA-N 437.632 4.844 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCSC(C)(C)C1 1359189469 LSVAVFABXZOGLD-LJQANCHMSA-N 428.602 4.725 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1359204312 LEJBFPAODRJJAR-UHFFFAOYSA-N 429.634 4.637 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCC2)n1CC1(SC)CCOCC1 1359255131 PBCBDULHXAHLGB-UHFFFAOYSA-N 442.629 4.659 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)nc1 1359275368 SCVRGKCJNYXLTM-UHFFFAOYSA-N 444.970 4.980 30 10 IJEE C#CCOc1cccc(NC(=O)c2csc(-c3cc(Br)ccc3OC)n2)c1 1360164593 YUQLUUISSJHYCX-UHFFFAOYSA-N 443.322 4.846 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(O)nc2c(F)cc(C)cc12 1436641381 MDIYDUWBTYRRBW-UHFFFAOYSA-N 431.261 4.968 30 10 IJEE C=CCn1c(SCC(=O)c2cnn(-c3ccccc3)c2C)nnc1-c1ccc(C)cc1 1459002984 VECHRUKIPGLCJK-UHFFFAOYSA-N 429.549 4.909 30 10 IJEE CCO[C@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C12CCCCC2 1459573053 CHNCEHRGSCADFX-VXKWHMMOSA-N 432.008 4.955 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)Cc1csc(-c2sccc2Br)n1 1460132487 RZPHFKYDJOAILN-UHFFFAOYSA-N 446.351 4.890 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cc1C#N 1460242354 CCGMJPLZBRLHSP-UHFFFAOYSA-N 429.904 4.594 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCCN1C(=O)OC(C)(C)C 1462228648 FNTHUBYTTBTULJ-GJZUVCINSA-N 441.616 4.503 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)cc1 1465258554 WPNAJLLHILBFRT-OAQYLSRUSA-N 447.576 4.931 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 1467372118 ZIJFUQWJYKYXSY-IBGZPJMESA-N 442.934 4.782 30 10 IJEE COC(=O)c1cccc(CN2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1C#N 1473172075 COYNCNUNIDVGDS-UHFFFAOYSA-N 433.335 4.943 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H](C)N2CCCC[C@@H]2C)cc1OCC 1473933649 OKXGAHRDLOGSHJ-DLBZAZTESA-N 425.411 4.765 30 10 IJEE C#C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 1477848279 QYBKOMNNXCNIGW-NRFANRHFSA-N 434.342 4.771 30 10 IJEE CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1)N1CCCC1 1497225309 BGNNVMYWVJGKAF-LJQANCHMSA-N 444.986 4.742 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCSC2)cc1 1505315099 HLRAVYIRZIBTQY-KRWDZBQOSA-N 435.519 4.739 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507561611 COHZDQMLFMWIQF-OAQYLSRUSA-N 443.555 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccc(C)nc1 1507672454 CFUUCSNMEPJTCS-UHFFFAOYSA-N 441.579 4.504 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](OC)C(C)(C)C 1507677039 SZGXUINKDASDQC-HXUWFJFHSA-N 445.032 4.748 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1csc(CC)n1 1507700720 UUINPYYRFXSIFC-UHFFFAOYSA-N 435.528 4.693 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCC1(C)C 1507704358 YQIFHWRXSYSXJI-GOSISDBHSA-N 445.405 4.620 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC 1507799748 ZZBUZEATXPUBNL-KSSFIOAISA-N 437.357 4.674 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507819999 XPBYBFFIQSPHLX-OAQYLSRUSA-N 437.632 4.607 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(CC)CC(=C)C 1507838811 YGZSDHAZQOJURP-UHFFFAOYSA-N 425.396 4.764 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCCS2)CC1 1507877748 FYSDXZWCOVNEOH-HNNXBMFYSA-N 437.382 4.899 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1507951187 BWBWLWPIPKHFBR-OAQYLSRUSA-N 449.603 4.725 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(Cl)c1)C1CC1 1507987938 NCTRZMXWEDUABZ-UHFFFAOYSA-N 446.780 4.903 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@H]1OCC[C@H]1C 1508010688 CCWDVWWAYJYSQC-DENIHFKCSA-N 438.597 4.845 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1)C(C)C 1508011002 JSKSOOZXJIHKIO-UBFVSLLYSA-N 449.643 4.649 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1nc(C)c(C)s1 1508022749 ZHKUWRBEOCEBPV-UHFFFAOYSA-N 432.597 4.845 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)OC(C)(C)C1 1508150659 GBCRVOZJZKRGDP-OAHLLOKOSA-N 437.009 4.530 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1509973292 FROJKUXBQCZANX-MRXNPFEDSA-N 427.524 4.993 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(O[C@H]2CCOC2)cc1 1520235856 CXLWSVVMBQJQBD-IBGZPJMESA-N 434.305 4.584 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)C(F)(F)F)cc1 1521343426 CYLICWUMANLWLS-RTWAWAEBSA-N 429.438 4.885 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 1526219603 HMLFPBOZDLSJQI-OHOGDBNVSA-N 441.934 4.916 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)CCCN1C(=O)OC(C)(C)C 1527543145 GQKKSMJIZIEYSQ-FQEVSTJZSA-N 448.432 4.946 30 10 IJEE C#C[C@@H](C)NC(=O)c1cc(/C=C\c2cccc(OC)c2)nc2ccc(Br)cc12 1528047589 MDAKJGZIXKYXEX-WKTRQSJXSA-N 435.321 4.928 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)CCCC2=O)[C@H]1CCOc2ccc(Br)cc21 1531552706 GCWVPNVMWTZGLX-FQEVSTJZSA-N 438.321 4.567 30 10 IJEE C=CCC1(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2)CCOCC1 1531987904 MNIHDGVEDQLNKG-LJQANCHMSA-N 435.406 4.524 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCCC1(C)C 1538657028 HDBSASGSHZMTNL-HXUWFJFHSA-N 439.021 4.722 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](CC(C)C)N(C)C 1538983916 ZBQLVBOXJCJNEC-WSTZPKSXSA-N 427.662 4.566 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1539051805 HVSBJEPYEDFVNA-KRWDZBQOSA-N 443.389 4.516 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCO[C@@H]1CCCC[C@H]1C 1539390713 UXGATAFHRLGGIW-HYBUGGRVSA-N 447.558 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Br)cc2)n1CCC=C(C)C 1539566562 MJMKIHBDNYLDSM-JOCHJYFZSA-N 443.389 4.968 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCO[C@H]1CCCC[C@@H]1C 1539569733 SBPPGWYQJIZDNQ-QYXIYQDXSA-N 440.563 4.584 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1539695077 ZRQUKLXBNBCTOI-NRFANRHFSA-N 428.577 4.570 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1539974828 WIGNIPHRDWYSSS-NRFANRHFSA-N 426.492 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C/C=C\CC 1540140315 MSIKKQZXFVAMNH-SREVYHEPSA-N 442.610 4.569 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC2CC2)CCC(C)CC1 1554722652 HUVRHFYJBUKKBM-UHFFFAOYSA-N 437.588 4.560 30 10 IJEE C#CC[C@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C)c1ccccc1 1564384797 GDEMTTYQFWLCNZ-FPOVZHCZSA-N 425.573 4.572 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1)c1ccc(C(F)(F)F)cc1 1564407233 ZIXQHRGIBNKNKE-OALUTQOASA-N 437.506 4.659 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1 1583435346 YDMUNYFFOXYGCM-HXUWFJFHSA-N 445.485 4.807 30 10 IJEE C=CCCC1(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCC1 1587240096 UVKCQYGYKXIIOX-UHFFFAOYSA-N 446.657 4.827 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccc(C)cc1 1587679256 YUFVVUDZJZOAGJ-KSEOMHKRSA-N 440.657 4.896 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)cs1 1589504640 IQCBIMTZAOPHSJ-IRLDBZIGSA-N 433.581 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)C[C@H]1CC 1589516027 VPAQSZWGSFMPHZ-LVBDUCALSA-N 440.588 4.568 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1593740742 DRBDVCQAWBQAFP-QFIPXVFZSA-N 440.588 4.887 30 10 IJEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCSCC(F)(F)F)CC1 1594122300 NJVQNXLHJLRKGJ-UHFFFAOYSA-N 435.519 4.733 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(C)c1C)c1ccccc1 1594552066 GOTLSTJIFJCZQX-JOCHJYFZSA-N 446.624 4.969 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 1594573863 ZAJZOSZMUJNJDQ-UHFFFAOYSA-N 431.382 4.532 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1594646053 SOSVRMGTDBZUJN-HXUWFJFHSA-N 437.613 4.993 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCc2cc(Br)ccc2C1 1594744698 YGGFMODCSNDWNX-UHFFFAOYSA-N 438.373 4.555 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(CN(C)C)c1 1594895940 QHSPMFCIKXXCEA-SFHVURJKSA-N 435.641 4.864 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1nc(C(C)(C)C)cs1 1594923495 PMKDTNWFOMTDDB-UHFFFAOYSA-N 441.601 4.581 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1[C@H]1C[C@H](c2ccc(F)cc2)C1)C1CC1 1595021131 UUENQGCOLMQZAT-CYWCHRQTSA-N 425.552 4.609 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1595127401 OBBCGYCSKXFCSS-DFBJGRDBSA-N 425.596 4.998 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC=C(C)C 1595149966 ZDWUZKZHMGKRDG-UHFFFAOYSA-N 446.584 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCc1c(C)cccc1C 1595222693 IRPCWTZKHHWCDC-UHFFFAOYSA-N 426.568 4.555 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)C[C@H](C)c1nccs1 1595648446 CGXISTUNCDZUCR-SFHVURJKSA-N 446.580 4.650 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1595884238 IILNLJJENOCXRE-FYYLOGMGSA-N 439.673 4.844 30 10 IJEE C=CCn1c(Sc2ncnc(C(F)(F)F)c2Br)nnc1-c1ccccc1 1611754922 KKNXIERAWHXDOO-UHFFFAOYSA-N 442.264 4.854 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCC[C@@H]1C 1619909573 CAYNPDWESJMPRL-AZUAARDMSA-N 432.572 4.604 30 10 IJEE CSc1nc(O)c(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2(C)C)cc1C#N 1624430919 PGYJJURZYVUYDJ-MRXNPFEDSA-N 435.471 4.808 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1)C(C)C 1628517173 LIRPCCRZWORPLW-VWLOTQADSA-N 436.600 4.674 30 10 IJEE C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccc(Br)cc2Cl)CC1 1631213429 HSKHDMZNHVYWQT-UHFFFAOYSA-N 442.829 4.720 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(Br)cc(C)cc2C1)c1ccc(Cl)cc1F 1636567652 WLJRFGYHNQBNJN-LJQANCHMSA-N 435.724 4.992 30 10 IJEE C=CC1(CC(=O)Nc2ccc(COC)c(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)C1 1644621679 WZUYZOLOOIFNNY-UHFFFAOYSA-N 428.451 4.604 30 10 IJEE C#C[C@H](Nc1nc(CN2CCCCC2)nc2sc(C(=O)OCC)c(C)c12)c1ccccc1 1651179628 IZKNFQHYDLVOAK-IBGZPJMESA-N 448.592 4.949 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2n1 1652527540 ASXLDGMNBSNPBM-ROUUACIJSA-N 426.561 4.834 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](Cc2ccccc2)C2CC2)n(-c2ccc(F)cc2)c1C 1653030730 FCLWLARVAUDRIA-XMMPIXPASA-N 430.527 4.654 30 10 IJEE C=CCn1c(SCC[C@H]2Sc3ccccc3NC2=O)nnc1-c1ccc(F)cc1 1656064667 GMUVHATZAIGYQH-GOSISDBHSA-N 426.542 4.865 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1658063608 IFLBXMOHUOCUCA-AVRDEDQJSA-N 427.570 4.768 30 10 IJEE C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CN1Cc1ccccc1 1661200748 DNHWZWMHKVRZLT-FUHWJXTLSA-N 446.473 4.879 30 10 IJEE C=CCOc1c(Cl)cc(CN2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1OC 1665345377 IAGQNMJSUYVVLK-UZUQRXQVSA-N 436.980 4.793 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1666409848 YBDRDGUVOPAFDR-JOCHJYFZSA-N 441.597 4.560 30 10 IJEE Cn1cc(C#N)c(NC(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)n1 1667537561 BFNSIKNSQQOAEP-SFHVURJKSA-N 432.286 4.843 30 10 IJEE C#CCN(C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@H]1CCCc2ccccc21 1667799166 NUEQDPHNMPJRCS-DEOSSOPVSA-N 429.495 4.580 30 10 IJEE C=CCC1(NC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)CCCC1 1669766779 LEYXOQJGFNDNOE-UHFFFAOYSA-N 445.629 4.746 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1671424700 FDGRMMQSHQFFMN-AZGAKELHSA-N 430.596 4.782 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCN(Cc2ccccc2)CC1 1672210531 WCXSDMDLNSRRJY-UHFFFAOYSA-N 444.373 4.800 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 1673067528 SDHSJTZXELPSNO-UHFFFAOYSA-N 427.327 4.635 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(OC)c(Br)cc2Cl)cc1 1673255996 FUPYDXKOXNXSJM-UHFFFAOYSA-N 425.710 4.998 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1)c1ccc(F)c(F)c1 1680280507 OROPAEORVIGANZ-QRQCRPRQSA-N 435.465 4.949 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1681036707 LYKRSNDVMBGRRW-CEMLEFRQSA-N 427.589 4.955 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 1681090477 ILTWVALHNMLAAJ-FGZHOGPDSA-N 437.515 4.722 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](CO)Cc1ccccc1Br)c1ccccc1 1685799150 OUOZXHYQDKYMBB-UTKZUKDTSA-N 431.374 4.607 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCCn1ccnc1C 1689867013 OOUIICJDEGEHGS-QGZVFWFLSA-N 443.020 4.667 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1690161325 ARERDLJZAOJSQO-YADHBBJMSA-N 438.641 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCCN1CCCC 1690207571 DDQBLOAVSSSGIT-BKMJKUGQSA-N 437.607 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1nnc(C(C)(C)C)s1 1690211287 XYSLRKQRMUPSSK-RUZDIDTESA-N 448.640 4.643 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)Cc1cc(OC)ccc1Br 1690309513 BXMFBUHOBPEZAS-UHFFFAOYSA-N 449.393 4.546 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2cccnc2OCCCC)CC1 1690413463 UPVZBMVPJLKBNB-UHFFFAOYSA-N 437.613 4.955 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1nc2c(s1)C[C@H](C)CC2 1690449361 FGNWGPKBSXMZBC-QGZVFWFLSA-N 437.617 4.547 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1690451559 JUUJIISNNUOCMC-QZTJIDSGSA-N 429.996 4.843 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690476465 DICKRVHQEQGYEM-HOTGVXAUSA-N 449.368 4.676 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)cc1)C1CC1 1690554239 YTQJBWVZSJPECE-NRFANRHFSA-N 437.588 4.862 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1690571800 JGZWOQBNCAPJMD-NNWRFLSQSA-N 428.552 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1 1690597497 VROSMIIBWXLMDR-UHFFFAOYSA-N 428.024 4.823 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccccc1Cl 1690607443 MXDPNTREZBGVAE-XMMPIXPASA-N 440.975 4.935 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1705620779 GEXBCCZJRVCFNL-RXFWQSSRSA-N 437.607 4.520 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCC1CCOCC1 1705654870 WAFFHZNTQLMDLQ-UHFFFAOYSA-N 440.657 4.862 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)C2(CCC2)C1 1705664790 BHCPAMYYGGHBCO-VAMGGRTRSA-N 430.662 4.580 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN(C)C2CCCCC2)CC1 1705770313 ZXMBNSGKNHOQFL-UHFFFAOYSA-N 429.559 4.568 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705806603 IKCURGRTCYNNIW-IBGZPJMESA-N 447.624 4.760 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@H](F)C1 1705856818 GXXXJAHLTXFSPU-YADHBBJMSA-N 435.547 4.603 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCc1cccc(C)n1 1705858613 ZUVISBNBCHIEFN-UHFFFAOYSA-N 438.535 4.857 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1cc(F)cc(F)c1 1705866638 VUPWQKXHMQYREG-QGZVFWFLSA-N 430.524 4.557 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CC[C@](C)(CC)O1 1705877392 FPCBZDCAUOBNRA-GJZUVCINSA-N 431.584 4.923 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705940114 VZSMGMOPLDWKSM-KRWDZBQOSA-N 437.654 4.594 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCCC2)C1 1706435530 HAISSIDBYNZOCH-LADGPHEKSA-N 434.632 4.810 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(CC(F)(F)F)CC1 1709483653 BIYKAHWUZGBTBH-KRWDZBQOSA-N 448.537 4.716 30 10 IJEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1711125631 HZPCPUVCICDCST-SJLPKXTDSA-N 430.434 4.735 30 10 IJEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCC2CC(OC(C)(C)C)C2)c1 1711904477 BQWDKHYUDGUDRU-UHFFFAOYSA-N 437.588 4.677 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CCc1sccc1C 1712453212 FWMQGELXJZIERY-UHFFFAOYSA-N 429.977 4.578 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCCCCC2)nc1 1722282908 CFHJAHGNISTGEJ-LJQANCHMSA-N 449.002 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1722288750 GOZWYGCFVJIEBJ-FKBYEOEOSA-N 446.643 4.653 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CC 1722314876 SCRGFCMSANDDKD-IBGZPJMESA-N 434.588 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC[C@@H](O)C1 1722503130 YPYQLDABCMLAJW-BHDDXSALSA-N 426.605 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC(=O)N(C)C[C@@H]1C 1722585816 KBGBVZJCROTTBU-KRWDZBQOSA-N 441.645 4.545 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOc2ccccc2)CC1 1722586267 XYUXDYNSWKVNPA-UHFFFAOYSA-N 449.599 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC(c2nc(C)no2)CC1 1722592574 XELKZIOQUZPEQE-UHFFFAOYSA-N 426.590 4.608 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@H](C)C1 1722734113 ASJVZNXAVAGZTE-QGZVFWFLSA-N 425.627 4.663 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1740568741 OINSCBIZEYIPHK-APWZRJJASA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1740571011 MHZQINDCRJLSME-IBGZPJMESA-N 435.959 4.763 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](SC)C(C)(C)C 1740650664 IQDGCMYNUDWMAN-JOCHJYFZSA-N 431.609 4.734 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC1CCC(C(F)(F)F)CC1 1740682645 DMFQVZKVGTVTKV-UHFFFAOYSA-N 438.469 4.539 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)COC 1740725187 ILZNCGPDKWEVAX-UZUQRXQVSA-N 430.980 4.736 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cccs2)CC1 1740784984 FTKOZZVILXRZIU-UHFFFAOYSA-N 425.627 4.843 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CCC1 1740799562 PENQERODGMJBRZ-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1740839764 NRRGVUNLRZUSTQ-GOSISDBHSA-N 437.975 4.787 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(C(=O)C2CC2)CC1 1740869345 KMFUQOYJVNCEMX-UHFFFAOYSA-N 448.398 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCC1CCOCC1 1740922260 AMDUXBRNRXCUGT-UHFFFAOYSA-N 433.581 4.888 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](CC)O[C@H](C)C2)cc1 1740967817 RGJQAUSQPVQKKW-NQIIRXRSSA-N 438.597 4.547 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(C)CCCC2)C1 1740978598 YXPTWLKTQJEKHY-FQEVSTJZSA-N 440.588 4.714 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(Cl)c(OC)c2)C1 1740982233 SGSTWZCCSSIDRF-SFHVURJKSA-N 432.996 4.553 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](COCC)C1 1740997910 DNHYXCROTYYKEL-IBGZPJMESA-N 437.613 4.665 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 1748716307 XTOHQMIEVBPPEB-PMACEKPBSA-N 443.636 4.678 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1748735883 XOHOXWOYRFGFAZ-IBGZPJMESA-N 432.515 4.744 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749046929 KLAPYXZCCZWUDN-VGSWGCGISA-N 431.005 4.646 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1Cc2ccc(Br)cc2C1 1749234882 KPEOHGJKQUBOJC-UHFFFAOYSA-N 445.405 4.886 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)c1ccccc1 1749246398 JBGRHOWGINTLIU-UHFFFAOYSA-N 442.489 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749368453 JNZBGCTZQYLHQB-UHFFFAOYSA-N 443.661 4.801 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2ccco2)nnc1[C@@]1(OC(C)C)CCOC1 1749377164 MYENPUBCUVLUPF-YADARESESA-N 428.577 4.856 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1749397040 NXGPMMPCFFEBAU-UHFFFAOYSA-N 425.968 4.696 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1749502494 WGPRTBYCYHOZTR-SFHVURJKSA-N 445.633 4.804 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccco1 1749548722 HOHZSPSBJZSPHQ-UHFFFAOYSA-N 444.358 4.931 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@@H](C)N1CCCCC1 1749565772 RJIHVJGFULRAIY-OAQYLSRUSA-N 430.600 4.936 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCc2cc(OC)ccc21 1749572663 ACGQIHFZEIHCNC-NRFANRHFSA-N 429.568 4.956 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(Cl)nc2)C1 1749699926 FJQXMELDLGBOQL-MRXNPFEDSA-N 448.329 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCS1 1760292997 MRIHVWACTCSJKP-MGPUTAFESA-N 431.403 4.595 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCCCCC2)nc1 1760333138 ZCYMRHSAJRRKHK-UHFFFAOYSA-N 431.588 4.566 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1760369099 FGDLNHYVBXHPMN-MRXNPFEDSA-N 449.983 4.729 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CCCCC2)CC1 1760398193 ONDQZCACLHGZFV-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(=O)N(CC)CC)CC1 1760399519 POZUMVCVULIANK-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCSC2(C)C)CC1 1760405919 LUCRGFPPQCTLRZ-LJQANCHMSA-N 442.629 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760413437 IFSXUZQMCFDIED-HXUWFJFHSA-N 435.547 4.663 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760421895 DBEQYOVXIOMPRP-HXUWFJFHSA-N 445.489 4.926 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1760425920 ZKNCAJBZLHMQJU-XETNRHBRSA-N 430.618 4.811 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760455043 ZCNONECTLNDDTF-JTSKRJEESA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1760480604 ZKKRQVVFZILENZ-MVERNJQCSA-N 449.599 4.932 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1760491942 AAQJIUSYEZYPTL-FQEVSTJZSA-N 437.588 4.831 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@@H](C)C1 1760499087 NRZKIHBXUMLINN-QPTUXGOLSA-N 438.616 4.612 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760566246 PEXNBMDTXSWNSW-YLJYHZDGSA-N 428.602 4.582 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1760973569 AWRGFWWMSGDXEG-KPLVRAHFSA-N 429.996 4.712 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1CCn1cc(Cl)cn1 1761074760 DHAVMMXGWYFMCN-UHFFFAOYSA-N 446.386 4.915 30 10 IJEE CC1CCN(CCCn2c(-c3ccccc3Cl)nnc2N(CCC#N)CC2CC2)CC1 1763015714 DSNWLIMFPMKFSD-UHFFFAOYSA-N 441.023 4.851 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCC(C)(F)F 1763744421 AXNUGTQRXFCNBZ-OAHLLOKOSA-N 436.938 4.689 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1)C(C)C 1765782081 IFZOSTPVMAGTDN-FCHUYYIVSA-N 441.645 4.846 30 10 IJEE N#Cc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl 1860860168 DJCXVZGJSLLVQT-HSZRJFAPSA-N 442.906 4.673 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCC)NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861191053 HQOXKZXXWSSTBW-UPVQGACJSA-N 447.639 4.799 30 10 IJEE C=CCNC(=O)[C@](C)(CC)NC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 1861429999 RKVOJPLGNNPLGR-SANMLTNESA-N 426.520 4.584 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862422492 GUYUTSKHTIUFNM-KRWDZBQOSA-N 436.798 4.515 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1ccccc1Cl)c1cccc(Br)c1 1862527510 ZMOPJGLDBSLWQL-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccccc2Cl)c1 1862560001 BEVZOQMRLFHSIE-HXUWFJFHSA-N 438.936 4.805 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 1862614757 FSYQTQVMOZDWFA-HSZRJFAPSA-N 434.580 4.904 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(C(F)(F)F)cc2)cc1F 1862643921 YPXFCLLBKHACTM-SFHVURJKSA-N 435.373 4.594 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862649019 OYMFUZYZCUIADA-YKSBVNFPSA-N 427.500 4.906 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862717076 WBOSSUXUXDZVCK-JOCHJYFZSA-N 446.459 4.832 30 10 IJEE COc1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862962112 XAAJRXCHTMEIQQ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863058693 BARBSDGGRIRKTM-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(c3ccccc3Cl)C2=O)cc1 1863077757 ZMJJFYQLBYEOMS-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1cccc([C@@H](C)CC(=O)N[C@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)c1 1867113400 OKZZTYOYFBAXIR-BVZFJXPGSA-N 427.504 4.557 30 10 IJEE C=CCc1ccccc1OC1CN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)C1 1869906209 DOGRVQZMNGXKCE-UHFFFAOYSA-N 425.525 4.515 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)C12CC3CC(CC(C3)C1)C2 1870113007 JNEORMSYPHSELA-UHFFFAOYSA-N 430.339 4.660 30 10 IJEE C#CCOc1cn(Cc2ccc(C)cc2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1871009100 CZUJIBVUCYMBFH-UHFFFAOYSA-N 442.437 4.728 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(F)cc1)O3)CN(Cc1nc3ccccc3[nH]1)CO2 1871348419 DTBAPCYBZIDEKB-JJFYIABZSA-N 441.462 4.979 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2nc4ccccc4[nH]2)CO3)C1=O 1871349379 QOHAQTOQVVNVCK-FMCGGJTJSA-N 439.471 4.540 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871370225 GQQFFHBELGPJAW-LZNIEJQKSA-N 428.440 4.852 30 10 IJEE CCc1ccc(/C=C2\Oc3c(ccc(O)c3CN(CCO)Cc3ccccc3)C2=O)cc1 1871393913 RHAZXDMAAUFJGW-XYGWBWBKSA-N 429.516 4.565 30 10 IJEE CN1CCC(N(C)Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)CC1 1871395036 CVWFQAKAJLCTMM-NHDPSOOVSA-N 447.362 4.841 30 10 IJEE Cc1cc(O)c(CN2CCC[C@H](CO)C2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871398407 HRQOEASOCGAPEG-VFOSSOBBSA-N 435.564 4.819 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871874229 PGXQELOGRQMCSF-IERDGZPVSA-N 436.524 4.585 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872318546 WCHNFNRHZMBKET-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(C)ccc1C 1872354047 ZORXSHVWYIBWQQ-MRXNPFEDSA-N 440.487 4.526 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872507885 NSPNKLPGCSRDGX-KKSFZXQISA-N 434.989 4.879 30 10 IJEE COc1cc(Cl)c(C)cc1N1CC(=O)C(c2nc(-c3ccc(F)cc3)c(C)s2)=C1N 1872725965 DJNJOJHEYZVCGR-UHFFFAOYSA-N 443.931 4.945 30 10 IJEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873170313 VESAMDNGZGOWDB-UHFFFAOYSA-N 445.950 4.803 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(C)cc1 1874369499 CVKYNUPFFKCDEH-YDZHTSKRSA-N 428.945 4.834 30 10 IJEE CCCNC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccccc1Cl 1874393011 ARYWACQIGFVOSP-MMDHUZEPSA-N 441.988 4.584 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2c[nH]c3ccccc23)o1 1874466703 WZPUPOGUVGAEFF-WYMPLXKRSA-N 447.476 4.574 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2F)cc1 1874482553 GLVINCCOCAIEQI-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CC2)cc1 1874523451 QHTLAYOLZSEMEB-AFUMVMLFSA-N 433.581 4.948 30 10 IJEE CCCCCOc1ccc(/C=N/n2cnnc2SCC(=O)Nc2ccccc2C)cc1 1874538049 LFDZEMZTVYBLJF-MFKUBSTISA-N 437.569 4.769 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(OCC)cc2)cc1 1874567941 ZHKROXDPVZQWHH-LFVJCYFKSA-N 440.569 4.996 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(Br)c(OCCCO)c(OC)c2)cc1C 1874636733 PWYDMMATLVXPQB-VOTSOKGWSA-N 449.341 4.740 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1875129331 WOJYBASAQHIEQZ-VQHVLOKHSA-N 448.387 4.627 30 10 IJEE COCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875140383 CXPNDIZQLIMGQK-BQYQJAHWSA-N 433.298 4.522 30 10 IJEE COCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 1875165552 NKVIMLMOAFXJQO-NTEUORMPSA-N 448.471 4.944 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCSc3ccc(F)cc3)cc21 1891670444 XHTIQPPYNKXLNA-UHFFFAOYSA-N 428.529 4.884 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)[C@H]1C(F)(F)F 1903074286 ACTXSHBMBJUQRF-IFXJQAMLSA-N 433.471 4.610 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1991903845 BRTHCJWQIIJUFX-JKSUJKDBSA-N 429.508 4.703 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C#N 2010550810 SETHXRPEMBFRDG-QRWLVFNGSA-N 443.931 4.649 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1F 2079013732 PQOYFIZEHRQLKU-AWEZNQCLSA-N 431.199 4.744 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCCC 2110494703 JWANQDULZBCXDT-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE C=C([C@H](NCCC)[C@H](O)c1scc(Br)c1Br)C(F)(F)F 2150568179 RHQTUXSYSQXPSD-UWVGGRQHSA-N 437.119 4.793 30 10 IJEE CC1(C)OB(c2ccc(OCc3ccc(Br)c(F)c3F)cc2)OC1(C)C 2154480845 VIAHTLICYTXXCZ-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1C#N)C1CCCCC1 2181113855 DLQMEMTWJYHWAY-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(Br)cc2C#N)CCCCC1 2181139917 UMMQLAYILSXVQB-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COc2cc(Br)cnc2C#N)(C(C)(C)C)C1 2198820768 ULJNSSNSNBCNNX-FQEVSTJZSA-N 438.366 4.768 30 10 IJEE CC(C)(C#CC(=O)Nc1cc(C(F)(F)F)ccc1Br)NC(=O)OC(C)(C)C 2202911126 JKOLMYPBLGCXSV-UHFFFAOYSA-N 449.267 4.713 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2235720595 HPPZYMUMOQNOKU-NLWGTHIKSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)C#Cc1ccccc1Br)C2 2235726936 PVYRYBVOFGBIEQ-DSZJKHHPSA-N 430.342 4.548 30 10 IJEE C#CC[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2244555075 JGEPFJNUVKJHPO-FNZWTVRRSA-N 444.575 4.954 30 10 IJEE C[C@H]1CN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2255534128 CKLBQKHTRQCPAB-XUVXKRRUSA-N 426.410 4.513 30 10 IJEE CC1(C)OB(c2csc(C(=O)Nc3cccc(OCc4ccccc4)c3)c2)OC1(C)C 2255623765 RQYYQBBQPDDUEO-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE CC1(C)OB(c2ccnc(NCc3cccc(Cl)c3Br)c2F)OC1(C)C 2280767200 FXTBRDMBDWFEGY-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE CC(C)(C)OC(=O)NC1(COc2cc(Br)cnc2C#N)CC(C(C)(C)C)C1 2290000526 ZEMKYLGWBHEAFF-UHFFFAOYSA-N 438.366 4.814 30 10 IJEE O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccccc2F)C1=C(O)c1ccco1 2296088873 UFWWXKSLLPAAMM-GOSISDBHSA-N 438.411 4.794 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@H](O)C#Cc1cccc(Br)c1 2296226618 HEQUJJHUOWUKHH-VQTJNVASSA-N 428.326 4.528 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2296277683 VMMBFPTZHAYDGY-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)C1CC1 2296289644 TYWZEZXCQJJOMI-UYAOXDASSA-N 435.406 4.720 30 10 IJEE C=CCc1ccc(OCCCn2c(CCCNC(=O)C=CC)nc3ccccc32)c(OC)c1 2314884178 QXOKCKRBEJCMTB-UHFFFAOYSA-N 447.579 4.867 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 2322052054 QVXSGHARTMVQOS-UHFFFAOYSA-N 445.446 4.581 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(Cc1ccc3c(c1)OCO3)CO2 2322099178 WNMXMPVGTNARNI-UHFFFAOYSA-N 433.485 4.754 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)cc1 2323720377 PLKHGRBCSZQJKQ-UHFFFAOYSA-N 428.440 4.628 30 10 IJEE COC(=O)COc1c(Br)cc(C=CC(=O)c2cccc(Cl)c2)cc1OC 2323767736 OOEZUDUABSXUAA-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Br 2323900931 QDXCWDVNNZNOJJ-UHFFFAOYSA-N 430.342 4.901 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4Cl)ccc3C2=O)c1 2325633226 WFNZDAUVPYFUMA-UHFFFAOYSA-N 449.890 4.660 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(OCC)c(OCC)c2)cc1OCC 2325642784 DHLMTWSCEQFLCZ-UHFFFAOYSA-N 427.497 4.502 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(OC)c(OCC)c1 2326244362 KVWPHMMYGJRFKE-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCCNC(=O)CSc1nnc([C@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2330084355 PHBKORDQWXVVOC-MRXNPFEDSA-N 441.988 4.584 30 10 IJEE COc1ccccc1CCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331434365 RXDWQGGMQWYXGD-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CCCCCCOc1ccc(C=Nn2c(SCC(=O)OC)nnc2C(C)C)cc1OC 2331704817 MNIZROGLIIGBTI-UHFFFAOYSA-N 448.589 4.517 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)N(CCC)CCC)nnc1C(C)C 2331706673 JCPHFQZESVVCNL-UHFFFAOYSA-N 445.633 4.813 30 10 IJEE C[C@H]1C[C@H](CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339575526 XUTZEDKKYFJOOB-KAZAESRKSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1(C)C 2339599853 IMTACQVXNKJPLF-OUKQBFOZSA-N 443.397 4.562 30 10 IJEE C=C([C@@H](OCCCN)c1sc(Cl)cc1I)[Si](C)(C)C 2340998398 SELASMQUUWDTBB-GFCCVEGCSA-N 429.827 4.846 30 10 IJEE CC#CCN(C[C@@H](Cc1c(F)ccc(Br)c1F)NCC)C(=O)OC(C)(C)C 2363127792 OFTFNJVNEIOHAE-CQSZACIVSA-N 445.348 4.508 30 10 IJEE CC#CCCC[C@@H](OCCC(=O)O)c1sc(Cl)cc1I 2366705039 SYAMVEQYAHAWMU-LLVKDONJSA-N 426.703 4.732 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1)c1ccccc1 626338 RPJANIUFTFCVPP-XMMPIXPASA-N 438.483 4.695 30 10 IJEE Cc1ccc(C(=O)N/C(=N\c2cc(C)cc(C)c2)N2CCN(c3ccc(F)cc3)CC2)cc1 15729071 ZALWJEGAHNTGPY-UHFFFAOYSA-N 444.554 4.991 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccco2)n1)N(c1ccccc1)c1ccccc1 21076588 RASQOAIWQVJPSH-XQNSMLJCSA-N 432.509 4.691 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1)Nc1ccc(Cl)cc1 21076722 PBDUHEXYMPROCD-FSJBWODESA-N 439.932 4.506 30 10 IJEE C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1sc2c(c1C#N)CCC2 23210304 DNZKVHGVZPMLOK-JTQLQIEISA-N 445.570 4.962 30 10 IJEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3cccnc3)C4=O)oc12 41353899 DXUGSYWWRZTKET-JAIQZWGSSA-N 427.412 4.980 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 41358270 WJUSCADFLRNDFE-OYKKKHCWSA-N 443.499 4.834 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)S/C1=N/c1nccs1 100849175 AEJBHWJPBUOEPG-PMULYYKTSA-N 448.573 4.956 30 10 IJEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 102527957 KEULLOFBYQLEAI-UGUGFTGJSA-N 426.472 4.581 30 10 IJEE COc1c(Br)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Br 169879303 OAHUEPASYXELMW-CAOOACKPSA-N 429.068 4.574 30 10 IJEE COc1cc(/C=N/NC(=S)Nc2ccccc2)cc([N+](=O)[O-])c1OCc1ccccc1 169884495 UTBWFGIVXFUVNH-OEAKJJBVSA-N 436.493 4.503 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2cccs2)c1 169928630 FTKLNGBQUKHZIS-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)c1 169937525 HJGAHEUKRYNHJB-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)cc1 170065393 YYYWMTJOWLRZIT-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(O)c2)cc1 170081829 XRSFFGVOHLREDS-HSZRJFAPSA-N 436.423 4.793 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(N(CC)CC)cc1 170138647 PONQAKAMWPDZMY-HSZRJFAPSA-N 436.552 4.920 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1cccs1 170164292 RFULHIJNXPULLL-FQEVSTJZSA-N 427.566 4.969 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)cc1C(C)C 170173143 DFSRKKAFMROKME-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1C 170225179 CCHKMZYQFOWRLX-QFIPXVFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)c(C)c1 170234162 SQOINXKJIJZWTB-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1C 170270307 HABUNGNLGYZVQH-HSZRJFAPSA-N 437.536 4.563 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccco1 170280019 FRMNNTKMPQXIRJ-XMMPIXPASA-N 443.499 4.946 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2sccc2C)cc1 170316930 FHFNOHBYYFNOBM-HXUWFJFHSA-N 434.517 4.629 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(OC(C)C)c2)c1 170475632 VWEMLYZSWKKTIE-DEOSSOPVSA-N 437.536 4.993 30 10 IJEE CC(C)CCOc1ccc(C=NN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 254486937 RQZBLBOSPYVVMO-HSZRJFAPSA-N 445.466 4.514 30 10 IJEE Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446905372 HFEAJQMYGYKPSW-AFMYVXGZSA-N 446.473 4.945 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCO[C@@H](COc4ccccc4)C3)c2)cc1 484141192 YGRMCYKTQBTPEE-XMMPIXPASA-N 429.476 4.662 30 10 IJEE COc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1NC(=O)c1ccc(Cl)cc1F 506898570 PWEJPDMMDGFDQV-UHFFFAOYSA-N 444.894 4.898 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 512424079 NIWXIZKMWUQOMC-OFNKIYASSA-N 436.556 4.593 30 10 IJEE CNC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 515735647 FIYGLHDFVFFSLH-OAHLLOKOSA-N 448.910 4.803 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(O)c(O)c2)cc1 526805134 GSUBANVCEZNZHM-MYYYXRDXSA-N 430.533 4.763 30 10 IJEE C=C(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[S@](=O)C(CC)(CC)C1 573147574 DBZSBCLSSCNMNF-HKBQPEDESA-N 437.613 4.505 30 10 IJEE Cc1ccc(CNc2cc(Br)ccc2I)cc1C#N 701824776 AMXYLIGLRVXWKY-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE C=CCC1([C@@H](NCCC)c2sncc2Br)CN(C(=O)OC(C)(C)C)C1 722941776 WCKAUNBPYQFWFD-HNNXBMFYSA-N 430.412 4.760 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)CCC3)[n+]2cc(O)ccc2C)c1 726573246 TUDMIQISTFGHIG-UHFFFAOYSA-O 427.549 4.781 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc2ccccc12 733198323 VICLIAKRBLOWHE-JOCHJYFZSA-N 445.519 4.963 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1nc2c(cc1C#N)CCCC2)c1ccccc1 776350263 QJUVOCYULYICDJ-NRFANRHFSA-N 434.540 4.817 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1ccccc1C 809920710 ANDXYBKCXVYEFP-JOCHJYFZSA-N 431.540 4.540 30 10 IJEE C#C[C@H](NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1 812350769 ANYNFFMAFNHQSB-FQEVSTJZSA-N 448.872 4.702 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cnn(Cc3cc(F)ccc3Cl)c2)cc1OC 1130183312 AXRWOOKFJXNSGR-WEVVVXLNSA-N 441.890 4.949 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 1136323738 LIVXNSRTNICVQT-MRXNPFEDSA-N 429.895 4.539 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(OC)c1 1141360253 YXEZELVJQPQTJV-ZHRRBRCNSA-N 449.469 4.810 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cc(OC)c(Br)cc2Cl)cc1OC 1148694293 DRWWMESSMZBJCJ-UHFFFAOYSA-N 426.694 4.937 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C(=O)OCC)c1nc(Br)sc1C 1167116726 VLMTZTWHJOATJN-QGZVFWFLSA-N 439.375 4.515 30 10 IJEE C#CCN(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@@H]1CCOc2ccc(Br)cc21 1167421105 OSUSVFOIKLXODH-LESCRADOSA-N 432.280 4.708 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F 1175944483 HQFPPESHVXKARL-DENIHFKCSA-N 440.421 4.615 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@]34CCC[C@H]3N(C(=O)OC(C)(C)C)CC4)cc2n1 1209589445 AAECWFDSDBMUCI-HYBUGGRVSA-N 439.560 4.524 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1F 1215456818 FTDVMBSILIBRIL-UHFFFAOYSA-N 445.317 4.829 30 10 IJEE C#CCN(C(=O)CCCOc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1265209133 UTBNWIWSJMBZSA-HXUWFJFHSA-N 428.326 4.594 30 10 IJEE C#CCCCCn1c(N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1286333739 BANMLSRCPXQGKN-UHFFFAOYSA-N 431.625 4.605 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1286356981 WWMBGFFZSHTYCV-XZOQPEGZSA-N 436.600 4.753 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)Cc1cccs1 1286404410 SPUIRQJGTAYFOO-KRWDZBQOSA-N 438.984 4.620 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286420296 BWCJSSLDXLZLQP-MSOLQXFVSA-N 445.445 4.610 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCc1ccc(Cl)s1 1286459252 JTLILOZFOSYCST-UHFFFAOYSA-N 435.380 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1286559511 XEAMHCCVXIRTEK-GIWBLDEGSA-N 440.636 4.503 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](CC)C1 1286603836 ZBFFNZRYYQWRKG-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1286639959 DXMFKCNBZLFZPE-QUCCMNQESA-N 432.515 4.764 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 1286648857 QSIUPRZOZOVKCN-QHCPKHFHSA-N 437.632 4.786 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)Oc2ccccc2F)CC1 1286662472 MFYFVGFVLQXEMY-KRWDZBQOSA-N 426.561 4.939 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286688926 GTOOJTASJNZXKB-NTKDMRAZSA-N 445.007 4.653 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H](C)CN1CCCC1)C1CC1 1286734141 PCCDHFATEDWRSH-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1Cc1nc(C)c(C)s1 1286744801 MTUSTGSGQHBLNH-UHFFFAOYSA-N 448.571 4.717 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC(F)(F)C1 1286751197 CHFWOWWWMHVAQH-GOSISDBHSA-N 429.515 4.761 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@@H](CN3CCCCCC3)C2)cc1 1286795410 AUYSAYIFABVHCI-QHCPKHFHSA-N 437.632 4.546 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2=CCCCC2)C1 1286801117 WHWNWPCFLPLBIF-AVRDEDQJSA-N 426.536 4.839 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2sccc2Br)C1 1286810185 OGXFVPNKNBZMTE-AWEZNQCLSA-N 439.423 4.520 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1n[nH]c2cnc(Br)cc12 1287859226 NPUZCFCNONXIQL-UHFFFAOYSA-N 441.207 4.556 30 10 IJEE C#CCN(C(=O)c1scc(C)c1I)[C@@H]1CCCc2ccccc21 1289232257 AAGAUPBLDHMDNW-MRXNPFEDSA-N 435.330 4.814 30 10 IJEE C=CC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1)C(=O)OCC 1296236237 GYDOAIHCAFIGJS-HSZRJFAPSA-N 431.536 4.900 30 10 IJEE COc1cccc(-n2cc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)nn2)c1 1299947596 GYJLTMYCSVVRAI-UHFFFAOYSA-N 441.516 4.692 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)CN1CCCCC1 1300606755 SUVDTKKBVDEYJW-UXHICEINSA-N 439.673 4.713 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@@H]1CC=CCC1 1300833873 DUAQPKUBMLCBSS-MRXNPFEDSA-N 447.377 4.663 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1300872075 FBPXYLOFNHYSSF-CKUXNOBLSA-N 437.632 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1300919108 VMSYVPSXIKKDOE-QGZVFWFLSA-N 433.622 4.588 30 10 IJEE C#CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1300993912 BTLMUHOLKRCHOI-OAQYLSRUSA-N 444.984 4.746 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1301027834 YMPZBUHPQNPQNB-OAHLLOKOSA-N 425.335 4.622 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCC(C)CC2)CC1 1301066038 MNRSORBHRUVFMI-NRFANRHFSA-N 441.595 4.836 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1301189659 CNGVTQNLPZDNFA-QHCPKHFHSA-N 436.648 4.569 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1c(C)noc1C)C1CC1 1301321208 ZOYBXTYVHHAXPZ-UHFFFAOYSA-N 437.544 4.549 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1C 1301403161 VWBOZWAOTNMSCY-YKSBVNFPSA-N 432.616 4.811 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC[C@H](F)C1 1301405731 JOSACVNDMXVCTM-WMZOPIPTSA-N 429.927 4.960 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCC1 1301601289 PJEQODPOSRZWFJ-UHFFFAOYSA-N 427.437 4.925 30 10 IJEE C[C@@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1cccc(C#N)c1 1303622185 HKGLPTBWEWQSRI-IERDGZPVSA-N 433.508 4.618 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccccc2F)C(C)=O)nc2sc3c(c2c1=O)CCC3 1307258867 IWDVJLGITIDGPZ-SFHVURJKSA-N 428.554 4.564 30 10 IJEE N#Cc1ccc(-c2ccc(Cl)s2)n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 1307360085 BRYYEPUSSIQOLJ-UHFFFAOYSA-N 437.830 4.759 30 10 IJEE COc1ccc(Cl)cc1[C@H](CC(C)C)NS(=O)(=O)c1cc(C#N)ccc1Cl 1309207571 AUKMFKODPKGUOA-KRWDZBQOSA-N 427.353 4.939 30 10 IJEE C#CCN(C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O)[C@@H]1CCCc2ccccc21 1310496613 IINGWGZLKDMEKW-RUZDIDTESA-N 425.532 4.750 30 10 IJEE C#Cc1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 1311419926 FUXWGYVRLYHEPN-VWLOTQADSA-N 436.559 4.847 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 1312000662 NXYWRXYUYXBUBI-UHFFFAOYSA-N 446.526 4.937 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2)c1ccc(Cl)cc1F 1312944334 UVEVGQVOZUKAEE-PSAKCFHXSA-N 449.954 4.631 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C[C@@H]2CCCO2)C1 1321323275 BYJIWHKJPYHANL-VEXUSMLFSA-N 448.567 4.532 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2ccccc2c(OC)n1 1352317309 HRQKKPWCBWKNHG-UHFFFAOYSA-N 429.289 4.973 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2ccccc2F)c(C(=O)OCC)c1C 1353746770 SLXBPAYFKLZONB-CYBMUJFWSA-N 433.501 4.847 30 10 IJEE CC(C)CN(C(=O)c1ccc(Cn2cc(Br)cn2)cc1)c1ccc(C#N)cc1 1354120271 AJELQIHZCRGIHE-UHFFFAOYSA-N 437.341 4.868 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC(C)(C)CC)ccc1Cl 1354712463 KIASHLJKMJCYGL-UHFFFAOYSA-N 438.952 4.779 30 10 IJEE C=C(C)CN(CC)C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1357549419 JNWLKIYHCOPTKQ-UHFFFAOYSA-N 429.380 4.800 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N1CCC(C)CC1 1358878219 SQHOSBSAUILKBM-WOJBJXKFSA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCCc1nc2c(s1)CCCC2 1358879588 UXCZAKAIDBXMSC-GOSISDBHSA-N 433.625 4.934 30 10 IJEE C#CCCCCn1c(COCC)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1358917505 SLLMXGVDOOLJGO-LJQANCHMSA-N 437.371 4.503 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCO[C@@H]1CCCC[C@@H]1C 1358989561 HONUGBJBXBEBBR-SQJMNOBHSA-N 441.579 4.552 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C)C1 1359091130 JHBZMCFXHCJEFW-MOXWOTFGSA-N 428.552 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nccnc1C 1359107730 UCFVWXVAACMETA-NRFANRHFSA-N 434.588 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1CCCCC1 1359115608 GMUIOBUJVBZAHH-UHFFFAOYSA-N 434.632 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@@H](C)C1 1359184750 ZCHMCENMMOZPLK-HNNXBMFYSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC(=C)C 1359189535 NHYDYMPCBSHYLG-IBGZPJMESA-N 447.624 4.591 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1359242217 UZNCBBRFDAJZJB-KDURUIRLSA-N 430.040 4.901 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1359245965 LAXVXEYLFULJFF-ACDBMABISA-N 437.588 4.506 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1Cc1ccc(N(C)C)nc1 1359262569 XWZMBQOIMWJSLP-UHFFFAOYSA-N 430.581 4.709 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2cc(Cl)ccc2OC(F)F)C1 1359312582 XJAXIPCXOFJALG-PBHICJAKSA-N 440.922 4.876 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)CCCN1C(=O)OC(C)(C)C 1359871222 JNLYWFJAEBYFER-RUZDIDTESA-N 447.539 4.909 30 10 IJEE C=C(C)COc1cccc(NC(=O)CCOc2cccc(I)c2)c1 1435022779 FSDMOEGAKUNZTP-UHFFFAOYSA-N 437.277 4.654 30 10 IJEE COc1cccc(CNC(=O)c2ccc(Br)cc2C#N)c1OC1CCCC1 1435115515 GHBPLOXRWSNDLG-UHFFFAOYSA-N 429.314 4.581 30 10 IJEE C=CC[C@@]1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1435175156 JHWBGRYTWPKAAO-FNZWTVRRSA-N 441.616 4.674 30 10 IJEE C#CCCOc1ccc(C(=O)N(c2nc(C)c(C(=O)OCC)s2)[C@@H](C)CCC)cc1 1435231488 MQFYNFLVABBHLY-INIZCTEOSA-N 428.554 4.866 30 10 IJEE C#CC[C@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)c1ccccc1 1458088530 JJOFGIOXEMWEPA-FQEVSTJZSA-N 434.337 4.618 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)c(F)c1 1462896797 DVHAUUZPYCBYSY-UHFFFAOYSA-N 426.435 4.506 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Br)c1OC 1463641371 PSKWPQJYWWIPEG-UHFFFAOYSA-N 444.778 4.878 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Br)c(Cl)c1 1464642992 VIXFDLYSXCTFOQ-IBGZPJMESA-N 438.774 4.804 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 1467295137 GBPBLUVPHHESRX-RPWUZVMVSA-N 440.503 4.881 30 10 IJEE C=CCN1CC[C@H](N(C)c2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)C1=O 1472770399 MFEMURDZCPZRIB-IBGZPJMESA-N 426.442 4.539 30 10 IJEE C=CCn1c(SCc2cc(Cl)n(C)n2)nc2cc(-c3ccccc3)sc2c1=O 1472956278 QGOHYEUIHIJXEI-UHFFFAOYSA-N 428.970 4.990 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1476463254 HHLIBVZSBUTUSE-KRWDZBQOSA-N 449.532 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCSc1nccs1 1507519142 FWBGIDFNPMKCOD-KRWDZBQOSA-N 448.621 4.899 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)c1cccc(F)c1 1507607282 OQHFFGIFVBBAOJ-UHFFFAOYSA-N 447.377 4.955 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N1CCC[C@@H](C)C1 1507681509 YHGFHDOVXQRPCU-UXHICEINSA-N 439.673 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(OCCC(C)C)CC1 1507800628 WTXXEPCCHRGXMZ-WWNPGLIZSA-N 446.636 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1SCCc2ccccc21 1507807410 NFVFDIKISGAAKG-NRFANRHFSA-N 441.645 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nc(C(C)(C)C)cs1 1507814970 JSFNYZXRWWKOSZ-UHFFFAOYSA-N 439.585 4.879 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN(CC)CC)C1 1507911844 PKKRZSYIWOORSE-SFHVURJKSA-N 431.028 4.764 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1507925899 KSRXPZQCURUMCY-INIZCTEOSA-N 443.901 4.898 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(SC)CCN(C)CC1 1507973567 JPFJGDRBLJGUPB-UHFFFAOYSA-N 440.444 4.702 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1507997364 WQTIAIKUQKYBFN-HXUWFJFHSA-N 437.632 4.543 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1508003024 QQNXAFSAGIFXKC-XZOQPEGZSA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(Cl)c2)n1Cc1cnn(C)c1C 1508009640 VEQVXFWZUXUARL-UHFFFAOYSA-N 438.988 4.943 30 10 IJEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccc(Cl)s1 1508994999 CDOIJEKLMDVVBP-UHFFFAOYSA-N 444.967 4.502 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1csc([C@H](C)OC)n1 1513200775 DWIXEVDLMQLNGK-ABSDTBQOSA-N 438.601 4.771 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C[C@H]1CCOC1)C1CC1)SC 1513256365 IAFDARBJKGWQHY-LJQANCHMSA-N 439.629 4.744 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(C)c(Br)c(C)n2)CCCN1C(=O)OC(C)(C)C 1515093334 OVISXSUIRSGZDZ-FQEVSTJZSA-N 438.366 4.745 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C(F)(F)F)cc1 1521344411 STUVVIBNHUNZRR-UYAOXDASSA-N 433.401 4.506 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)c1 1524796870 BDVSLTLORHEFTM-GMAHTHKFSA-N 447.000 4.886 30 10 IJEE Cc1nc(COc2ccccc2C(=O)Nc2ccc(Br)c(C#N)c2)cs1 1527529891 GIEFRDFTCMGIQU-UHFFFAOYSA-N 428.311 4.917 30 10 IJEE CCc1c(Br)cc(C(=O)N(C)c2snc(C)c2C#N)cc1Br 1528442848 DYNFOXREDOWYMU-UHFFFAOYSA-N 443.164 4.687 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)cc1 1534020624 PBTAAJMUHQQFIP-SANMLTNESA-N 432.608 4.894 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)cc(OC)c1OC 1534155197 NMEJNAVSSTYFCS-UHFFFAOYSA-N 443.565 4.791 30 10 IJEE COc1cccc(CN2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)c1 1534446812 GAHRYXVPEBDKQU-UHFFFAOYSA-N 441.531 4.512 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1539044917 MYCWQFVYWSWERT-SFHVURJKSA-N 442.007 4.537 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1539095468 DFVODQHBNOBXNO-AREMUKBSSA-N 431.584 4.857 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)CN(C(=O)OC(C)(C)C)C1 1539096413 AVODJLNDGGNAJW-INIZCTEOSA-N 428.529 4.822 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCN(C(C)C)C(C)C 1539392596 SAKREIBWJBWVJX-UHFFFAOYSA-N 427.612 4.764 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](CC(C)C)C1 1539504856 PVDFHLAWPPCJJU-QGZVFWFLSA-N 433.021 4.846 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539586172 IZAPPTHIZDPUBD-OKILXGFUSA-N 425.321 4.890 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 1539621670 SFDYBTZWRKJBTA-APWZRJJASA-N 448.409 4.787 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCCCCC1 1539641770 OENFMQAQSLSYRN-AUSIDOKSSA-N 442.629 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccnc(SC)c1 1539674516 YFXFAHAAEPQLSM-UHFFFAOYSA-N 432.597 4.918 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1539783040 LSJLYHFANUYZTL-WMLDXEAASA-N 442.734 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1539912421 IGCGPKNLXBOSHT-QHCPKHFHSA-N 444.627 4.901 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCC[C@@H](SCC)C2)nnc1[C@@]1(OCC)CCOC1 1539932172 XPSVDFSPBFGEIU-AUSIDOKSSA-N 436.666 4.645 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 1539948175 OOBFLEGJDKMLGD-ILBGXUMGSA-N 449.643 4.723 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1539981725 JEGRQWBKNKSFHR-GOSISDBHSA-N 426.540 4.510 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1540006549 DVNXXAQBXYGLEI-BEIWTESXSA-N 443.642 4.535 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1coc2ccccc12 1540089306 XUCPVWRZOMSLPL-IBGZPJMESA-N 437.544 4.767 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CC1CCC(OC)CC1 1540136735 KBPGMZURXSHDHJ-IRQNMHNUSA-N 442.579 4.709 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1540152580 XSPNDFZUASWHQT-RJGXRXQPSA-N 443.680 4.743 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1[C@@H]1C[C@H]1CCC 1540192457 ZNXNYVIATVJCAM-RDTXWAMCSA-N 437.357 4.847 30 10 IJEE C=CCN(CC=C)C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1540323011 HURQKAGONMOBMF-UHFFFAOYSA-N 426.582 4.908 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1540860344 FEVGEIZIXLCSRX-LJQANCHMSA-N 437.613 4.550 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H]1CCCO1 1540910577 DFGXPLAWNVJWJL-OAHLLOKOSA-N 427.401 4.786 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCC1 1541104940 COHPQCUFDHRABE-MSOLQXFVSA-N 445.011 4.542 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1541806149 FYOMYUGJGDDHFO-RXVVDRJESA-N 441.551 4.616 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1Cc1cscc1C 1555111175 FZPWUYVDYXTWPK-OAHLLOKOSA-N 427.599 4.593 30 10 IJEE C=CCn1c(SC[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)nc2ccccc21 1559316704 XUFGBGDFWRIURL-UZUQRXQVSA-N 429.586 4.731 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1cccc(OC)c1 1559381413 RHZNRNOTSDTNFD-AXVVYFOYSA-N 428.602 4.561 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1c(Cl)cc(F)cc1Br 1561194422 JGVCZBWKWDUCPA-UHFFFAOYSA-N 432.742 4.661 30 10 IJEE CC(C)c1ccc([C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(C)C)cc1 1563611787 FWNFGMFOWIEZGK-DNQXCXABSA-N 432.568 4.874 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cc(F)cc(F)c1 1563904342 WHZQQJPSDFDGKN-UHFFFAOYSA-N 427.264 4.807 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 1563934164 BNVOXBKUIURGBW-AVRDEDQJSA-N 447.000 4.901 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 1569299085 REJINURJBZTNDP-ICSRJNTNSA-N 431.533 4.550 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)c1ccc(Cl)cc1F 1583579209 PAHCWPOZUZGHJI-OHRXKNJKSA-N 427.903 4.795 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 1585561412 GLANFQBBHRJCCJ-UHFFFAOYSA-N 428.492 4.725 30 10 IJEE C#CCN(C(=O)[C@H](CCC)c1ccccn1)[C@@H]1CCOc2ccc(Br)cc21 1586216292 CROUIHWPBGCNAK-YLJYHZDGSA-N 427.342 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1cccc(C)n1 1588198076 FAXUVKKPZLGPNT-UHFFFAOYSA-N 425.580 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCO[C@H]1C(C)C 1588276592 RRVFMDYQQYQQIZ-ICSRJNTNSA-N 445.405 4.618 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1589608055 BCIQBUNZNOFNQE-KDURUIRLSA-N 446.039 4.889 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1ccon1 1593817546 FSKKKFPMHYNTGS-UHFFFAOYSA-N 426.933 4.754 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1594201836 ADSZXFGDPQCZEG-KRWDZBQOSA-N 428.886 4.968 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1594218755 RITZJYJXCBDXEZ-FGZHOGPDSA-N 446.643 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cccs2)CC1 1594472717 HRTIVADCYWQPDW-UHFFFAOYSA-N 446.624 4.803 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1594552098 HDURZRWDTQJFQZ-IOXZRWQCSA-N 438.616 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(F)c(F)c1 1595155898 BIWXRFDTWBMONZ-GOSISDBHSA-N 444.551 4.947 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1595844387 ASQFROSIJCKBJR-DHIUTWEWSA-N 439.673 4.804 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1595854878 QBNXKOOYLALHLJ-NRFANRHFSA-N 436.629 4.544 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(OC(F)(F)F)cc2)o1 1612028438 BZEARKIESMAXIY-UHFFFAOYSA-N 445.445 4.924 30 10 IJEE C#CC[C@]1(C(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1616467404 FMHACOOEOUQZMB-MZNJEOGPSA-N 430.976 4.621 30 10 IJEE CCSc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H]2C)ccn1 1617463092 HNVKAICFLNSCBF-ZWKOTPCHSA-N 448.596 4.519 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2nc3ccccc3[nH]2)[C@@H](C)CC)CN(C(=O)OC(C)(C)C)C1 1626054206 OGMUAKJWZGLTBP-OXJNMPFZSA-N 426.561 4.580 30 10 IJEE C#C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1628400530 IJRRKDSRMQCZQP-DYESRHJHSA-N 428.001 4.556 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(F)c2)c1 1629565640 QWRGQCPWKUPVAD-VWLOTQADSA-N 449.547 4.705 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 1630913758 DLXMIBZGKIZJGZ-FQEVSTJZSA-N 433.851 4.605 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(Cc3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1630944796 GLRUOHZXBQTMNX-VWLOTQADSA-N 430.564 4.953 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 1636982902 ARHULLPALYDWFG-ZDUSSCGKSA-N 443.356 4.833 30 10 IJEE C=CCN1CC[C@H](Sc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(C)c2C)C1=O 1640686124 HIVZEWBECJQZKH-FQEVSTJZSA-N 439.968 4.535 30 10 IJEE CC(C)(C)c1nnc2n1CCN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)C2 1641091723 BKSRKBFESMAWOW-UHFFFAOYSA-N 435.915 4.549 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccco1)c1ccccc1OC 1641975160 OHQIBMAKJUYTNG-VQIMIIECSA-N 434.920 4.530 30 10 IJEE C=C(C)c1cccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c1 1646568275 MFNFTCMBVYLEBH-UHFFFAOYSA-N 448.544 4.653 30 10 IJEE CCCC(O)(CCC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1 1649648595 HPJUWUIJPMGQMP-UHFFFAOYSA-N 439.604 4.831 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1)C(=O)OC 1651610812 CFKXTWSSEDOUKP-MRXNPFEDSA-N 435.336 4.846 30 10 IJEE N#Cc1cccc(NC(=O)CCN2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1 1653401921 HUBWNBODNSKTBH-UHFFFAOYSA-N 432.351 4.985 30 10 IJEE C=CCC[C@@H]1CCCN1S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1657257546 RPSTVZAUCQSYPJ-OAHLLOKOSA-N 427.389 4.692 30 10 IJEE COc1cccc([C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2Cl)c1 1662209265 DZKHRWSVRWMGRA-NRFANRHFSA-N 447.343 4.942 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(-c2n[nH]c(C)n2)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 1662906123 DRLUIGYGHRGILS-QGZVFWFLSA-N 433.821 4.948 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1c(F)cc(Br)cc1F)c1ccc(F)c(F)c1 1663463106 HGFYRNGBCAWVBL-OAHLLOKOSA-N 438.240 4.601 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 1672282466 QKTQQRGUVOOXNO-WWNPGLIZSA-N 428.960 4.878 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nc2cc(C)ccc2n1C 1672708917 WRPXQWLPCLURJG-UHFFFAOYSA-N 429.318 4.531 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)c1ccc(F)c(F)c1 1673669239 AVIWRQNNDFUGJT-JTQLQIEISA-N 428.333 4.909 30 10 IJEE C#CCNC(=O)NCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 1677239969 IEYMVISQZFDVLY-UHFFFAOYSA-N 428.113 4.981 30 10 IJEE O=C(NCc1ccnc(C(F)(F)F)c1)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 1681672846 GAJZGBFFZKIDKL-UHFFFAOYSA-N 435.343 4.789 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC 1682893216 ROTODVBAWSUQNM-JOCHJYFZSA-N 441.572 4.848 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl 1683288969 JYAPHSBANCBWGU-NRFANRHFSA-N 448.394 4.829 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H](C)c1nccs1 1689839552 IQWSLXNEMSCYGM-QZTJIDSGSA-N 447.564 4.835 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(CC=C)CCc1ccco1 1689918137 RYQJNTCGKMKVCG-UHFFFAOYSA-N 439.357 4.949 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](c1cccs1)N(C)C 1689951142 MRPSUVBANJCPOM-SFHVURJKSA-N 439.654 4.709 30 10 IJEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(Oc2ncccc2F)CC1 1690473723 FIYIPWTZMPZSLE-UHFFFAOYSA-N 437.519 4.502 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1690476499 FJFXVNQELUHLMG-HXUWFJFHSA-N 439.947 4.546 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1690480709 NPUFUARFPXPCCU-OALUTQOASA-N 434.588 4.684 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN1CC 1690577940 OLRONROUXVXDJK-CTNGQTDRSA-N 429.634 4.648 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1CC[C@H]1CCO[C@H](C)C1 1690602550 RGIMTJWXBFLILU-GGAORHGYSA-N 431.584 4.780 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1690742445 QQCYKLVIGXLJIT-IBGZPJMESA-N 428.577 4.703 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1sccc1C 1705478891 CLMFZMZYXKCPEY-CYBMUJFWSA-N 433.350 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1ccncc1 1705484843 XQLCBJSGOHMQEH-KRWDZBQOSA-N 431.540 4.908 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cccc(C(F)(F)F)n1 1705606257 YOTOKNMNZYNQAG-UHFFFAOYSA-N 439.485 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCSC[C@H]1C 1705698151 QCTLDPLKFBISOI-YJMBLLCNSA-N 426.630 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CN(C)C(C)C)CC1 1705705231 FGTNNEWPHXJBPF-ZCYQVOJMSA-N 443.680 4.549 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OCCC)CC1)c1ccccc1 1705743596 CEFFFPFFZIAULP-DEOSSOPVSA-N 431.584 4.763 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1705792910 GDZDITZEKNYRTB-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCCCCC1 1705799951 KUTHNQXTHXTNGN-UHFFFAOYSA-N 429.996 4.988 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1705818027 YKZIKORZLTUOQJ-XLIONFOSSA-N 434.943 4.509 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(C)C)C1 1705826321 BGHOGCLLKZCUFB-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(OC)nc1 1705834216 GODZTGSUGHYCHU-QGZVFWFLSA-N 441.963 4.762 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(CCOC)CCCCC1 1705836064 DBHXOSITCNWPGB-UHFFFAOYSA-N 434.588 4.944 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1CCN(CC)C(=O)OC(C)(C)C)C1CC1 1705854512 VRLLYGYXTTZUHK-UHFFFAOYSA-N 439.604 4.589 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CC1CCCCC1 1705861226 YDJQDHAHRRFWLZ-UHFFFAOYSA-N 443.599 4.784 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCC1CCN(CC)CC1 1705866168 JGAHMKWZPOMEAL-OAQYLSRUSA-N 443.661 4.548 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705887044 KEWIAMJCGFYWLV-IRLDBZIGSA-N 436.556 5.000 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1705940115 VZSMGMOPLDWKSM-QGZVFWFLSA-N 437.654 4.594 30 10 IJEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCO[C@H]2CCCC[C@@H]2C)cc1C 1707531599 CJLTWDGLODAUAT-WPYKKVEZSA-N 439.604 4.808 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)CC1 1708140442 AFCJYUOAEFKOAW-URXFXBBRSA-N 434.632 4.954 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN(C)CCCC)CC1 1722326056 DUNAGWNZARGSFK-UHFFFAOYSA-N 428.024 4.960 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1722452125 RMUJQHJSISXZQS-XLIONFOSSA-N 448.633 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1Cc1cc(COC(C)(C)C)on1 1722470468 GVYSLUXVACDMQZ-RUZDIDTESA-N 433.556 4.597 30 10 IJEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1722536369 VFOCWPJIZYUTHF-AREMUKBSSA-N 436.600 4.819 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1722574390 LRARFRYPXWNILW-QZTJIDSGSA-N 444.023 4.957 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccn2)n1Cc1ccnc(C(F)(F)F)c1 1722595874 WSIPDWJKTCHQCD-UHFFFAOYSA-N 430.478 4.985 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 1722622047 HGZCVHWICTXXKF-NRFANRHFSA-N 426.605 4.807 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CC(C)C)N(C)C 1722632869 KTWUYZHMCOMALO-QHCPKHFHSA-N 434.632 4.951 30 10 IJEE C=CCN(c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](F)COC)C1CC1 1722646635 SVNMECBTNGIAJL-QGZVFWFLSA-N 430.524 4.952 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC1(O)CCCCCC1 1722661873 CQEDMVPDKOCOAV-UHFFFAOYSA-N 437.613 4.603 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C)[C@H](C)C1)C(C)C 1722665590 NIQHAJSFIRQYBK-ODAXIHTASA-N 429.653 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722676429 ZVJJLPGGJCAWFW-LJQANCHMSA-N 443.617 4.508 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(SCC)c1 1740727501 OIEPPRHDKDNPIE-XMMPIXPASA-N 433.581 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN(C(C)C)C1 1740734607 KFDRCTSFAJYOQH-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc([C@H](C)O)cc1 1740777277 SWBYSRIGKSJNEO-VLCRHTCISA-N 426.605 4.701 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1740818816 VTTYMDGQOPKCGT-HBMCJLEFSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2nnc(C)s2)CC1 1740836614 QNVQEAKQUAQFRP-UHFFFAOYSA-N 428.993 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1740847559 LWQCIJKEPYTMQC-KRWDZBQOSA-N 437.617 4.740 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1740865758 RLSLXYUOMUSEBX-HXUWFJFHSA-N 431.625 4.813 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740870220 KELGAOKRGNLYAE-DNVCBOLYSA-N 449.393 4.544 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCc1cccc(C)n1)C1CC1 1740907848 AQDHXBCRAUYZAF-UHFFFAOYSA-N 438.373 4.809 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc3cccnc23)n1C[C@@H](F)COC 1740921946 PCKYPRSOSRJECX-GOSISDBHSA-N 437.544 4.732 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1Cc2ccccc2O[C@H](C)C1)C(C)C 1740924150 INPJCIDFDUVGEW-GGAORHGYSA-N 437.632 4.888 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CC[C@H]1CCOC1 1740924458 SATUGYMDQNEIAP-SFHVURJKSA-N 426.561 4.689 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(C)(C)N1CCc2ccccc2C1 1741191920 HLAPTKFSVLTGIS-MHZLTWQESA-N 448.659 4.834 30 10 IJEE C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1741860013 DBRRMIMPUUGMFN-SFHVURJKSA-N 425.552 4.747 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(COC)CCCCC1 1748659111 BQDQKILTRKATLM-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1csc([C@@H](C)OC)n1 1748687685 PDTZWFUYBQFLOB-IAGOWNOFSA-N 441.626 4.549 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1748739265 CAFNEGAFWWNIIC-UHFFFAOYSA-N 448.958 4.854 30 10 IJEE C#CCCCn1c(-c2ccc[nH]2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1748744940 CPGQTUJDRZIXDL-UHFFFAOYSA-N 432.503 4.550 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC1CCC(OC)CC1 1748914574 HIHRESYKTSCUSC-UHFFFAOYSA-N 449.368 4.511 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCOC[C@H]1C 1748917918 QJUBCICMADUJPZ-IEBWSBKVSA-N 438.572 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1749056325 DTRPEZUFZMLPQG-BCQCSXDESA-N 449.643 4.704 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749118501 GVLFBQCRFQVICN-DBQGFPOUSA-N 428.577 4.854 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cl)=C(Cl)C1 1749123523 FJGRZWLEZJGFBO-FXAWDEMLSA-N 444.366 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C#N)o1 1749143340 GPCJZEBDWPWXPM-MRXNPFEDSA-N 425.920 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1C(F)(F)C12CCC2 1749147614 LFXYFEKTJXFGHD-LJQANCHMSA-N 432.515 4.800 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1cc(COC(C)(C)C)on1 1749149661 CDBKVHFMTFPUKH-UHFFFAOYSA-N 439.560 4.708 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1749441833 JNIPQZDFDDBHBJ-UHFFFAOYSA-N 439.510 4.556 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCCCC1 1749447289 ARZRVIWECTVFBI-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(Cl)s1)C1CC1 1749514436 BSEFHTOBASXZJD-UHFFFAOYSA-N 430.961 4.880 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1CCC(OC)CC1 1749575530 SUAGRPNPJJRAQC-XPJNUEMQSA-N 438.572 4.564 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1sc(C)nc1C 1760228064 UPVZFTUSSXUTAD-MRXNPFEDSA-N 444.004 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1760313069 IMLXXUNIMSSURY-MZKRTTBSSA-N 440.563 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CC)C1 1760315930 KKKXXJYUDUIHOE-YXTQBTIXSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC)(CC)C1 1760325283 QCSRRNPNXVYEMU-AUSIDOKSSA-N 442.579 4.994 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(CN2CCCCCC2)CC1 1760347271 OTIPKQMKMTZAFP-UHFFFAOYSA-N 437.632 4.568 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1760443688 YHZPXJQGKMKPCJ-UHFFFAOYSA-N 431.625 4.813 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760455525 RJODCDYEYKXZLP-HSZRJFAPSA-N 441.583 4.688 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1760488358 SPCFYXNTJFQNFE-GGAORHGYSA-N 436.648 4.911 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@H]1CCCC[C@@H]1C 1760497511 IOGOWFGSVZJSOB-LNRXMEIDSA-N 430.637 4.970 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2CC(C)(C)C2)C1 1760547751 QSWWSFVDTDMCFI-HXUWFJFHSA-N 430.980 4.728 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1 1760563179 JXUSQQIIKUVXQP-QGZVFWFLSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(CC2CC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1760567984 TWBRTCQQQBXPLT-UHFFFAOYSA-N 432.037 4.884 30 10 IJEE Cc1cc(C)n(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)n1 1762470185 AVUFRWOGTZIUAV-SIKLNZKXSA-N 449.603 4.677 30 10 IJEE CCC(CC)c1cc(Cn2c(COc3ccc(C)cc3)nnc2N2CCC(C#N)CC2)on1 1764070246 BLXNYYOBTSNRLR-UHFFFAOYSA-N 448.571 4.845 30 10 IJEE CCOc1ccc(CCn2ccc(=O)c(OCc3cccc(C#N)c3)c2CC)cc1OCC 1857912508 MUIIJNUBZABPGZ-UHFFFAOYSA-N 446.547 4.901 30 10 IJEE CC(=O)Nc1cccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(C)cc2)c1 1859416964 NCBBNHQIJDTOMM-UHFFFAOYSA-N 449.514 4.989 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4cccc(F)c4)CC3)cc2)c1 1860669836 RGWCGEXRTFRRFC-UHFFFAOYSA-N 426.447 4.846 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4cc(F)ccc4F)CC3)cc2)c1 1860684923 ZSAQTPJSZMRYCG-UHFFFAOYSA-N 444.437 4.985 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1862234145 NGUFTWWRJUDGJP-DYHBGCKMSA-N 432.564 4.764 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862430800 SEZQZIJSUVTSOS-NRFANRHFSA-N 437.854 4.963 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCCC2)cc1 1862597066 LMEPCRPFXCPZNC-QFIPXVFZSA-N 449.503 4.782 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Br)c1)c1cccc(O)c1 1862600408 SOBHZFILDHWIMU-LJQANCHMSA-N 442.309 4.676 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCC2)cc1 1862605588 XZXDYCAUJUUWNY-HSZRJFAPSA-N 433.504 4.677 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1F 1862638445 BCVVDPJLMQMGHA-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862669277 RXKVTQKLAZZKAZ-HXOBKFHXSA-N 437.536 4.558 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2C)cc1 1862675003 ZONJWANYZUVLTG-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)c(O)c1)c1ccc2ccccc2c1 1862712581 USAQSJINCKNYNT-QHCPKHFHSA-N 441.439 4.623 30 10 IJEE CC(=O)c1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863077716 XHDQWSHWEKGAIU-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1cccc(C#N)c1 1866659960 MSXFNLDOAGQKSE-NRFANRHFSA-N 448.498 4.517 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@@H](c3ccncc3)C2)nc(-c2ccccc2)n1 1868372055 ABUUQNGWQJTGID-HSZRJFAPSA-N 434.503 4.732 30 10 IJEE CCCc1nc(Nc2ccccc2C#N)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868397811 GBDUPHDWBBAHLB-IBGZPJMESA-N 427.508 4.767 30 10 IJEE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccccc2C#N)nc(-c2ccc(F)cc2)n1 1868463066 IZHGEKDHUGJJFT-OAHLLOKOSA-N 425.471 4.745 30 10 IJEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCc1ccccc1 1870233576 WFXDORVOXZBVPU-UHFFFAOYSA-N 434.561 4.769 30 10 IJEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CNc1cc(C)cc(C)c1 1870832785 IXWMSGNGERHDLR-NRFANRHFSA-N 445.563 4.519 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(CC)cc2)cc1=O 1871006574 MISAGZRQZBTZCH-UHFFFAOYSA-N 425.532 4.759 30 10 IJEE Cc1c(OC(=O)C(Cl)(Cl)Cl)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871366137 UFPQCCUFVPSIDG-YBEGLDIGSA-N 440.710 4.953 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)c1 1871370721 AXVPZXJDTFDGLH-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871376938 MKZYXWJGQUMSPF-NFOYZZEQSA-N 428.440 4.939 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871406713 UXUOEXKJPGFEED-NXUSMQHESA-N 444.443 4.925 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O 1871435173 YLMYKSVXTOKNKZ-HYTQYMIGSA-N 430.884 4.612 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1cccs1 1872080447 ZADUUEFNNAOEPF-HXUWFJFHSA-N 434.627 4.931 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872465433 HHBGWQNYHGARAI-IFXJQAMLSA-N 441.018 4.940 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc2c(NCCC)ncnc21 1873601292 SDLPEKIQYRGHIB-UHFFFAOYSA-N 432.572 4.928 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2c(N(CCC)CCC)ncnc21 1873666355 WDLSHHMVFCEWIS-UHFFFAOYSA-N 436.516 4.713 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cc(Cl)ccc1O 1874243141 PVOSSQUGTHWXBZ-YDZHTSKRSA-N 446.960 4.999 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cc(OC)ccc1OC 1874263176 KQLVMSSNNBDZCY-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874284544 MHBDKJWSDQCQQR-OEAKJJBVSA-N 428.945 4.799 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc[nH]2)cc1 1874302925 YCAYPBOKNGESHB-CVKSISIWSA-N 435.528 4.909 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2/N=C/c2cccc(Cl)c2)o1 1874460586 VWBBUYCTXKUMMU-GZIVZEMBSA-N 444.822 4.504 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2F)c1C 1874483138 GNFKFLRTSDEATO-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(Cl)cc1 1874510080 FMQZEYHEDKCQQS-FSJBWODESA-N 438.944 4.707 30 10 IJEE CCCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874511323 TXINBJACRBWNEY-WGOQTCKBSA-N 435.597 4.645 30 10 IJEE O=C(CSc1nnc(C2CC2)n1/N=C/c1cccc2ccccc12)NCc1ccccc1 1874523032 CLJXSPJNRFAOPL-JVWAILMASA-N 441.560 4.599 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2-c2ccccc2)c1OCc1ccc(F)cc1 1874558937 JCVOKKBPWXWKSZ-AFUMVMLFSA-N 434.496 4.843 30 10 IJEE COc1ccc(OCCCc2nnc(S)n2/N=C/c2c(OC)ccc3ccccc23)cc1 1874568611 HXVGHSYUTODZFE-PCLIKHOPSA-N 448.548 4.631 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCC(=O)NC1CCCCC1 1874585526 XVFNIXKDCWATNZ-ACCUITESSA-N 429.463 4.697 30 10 IJEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 1874629815 WSJOKCZGCUSZIH-SDNWHVSQSA-N 429.516 4.903 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccccc2)cc1OC(=O)c1cccnc1 1874700464 UVHZIOYMTDPCQE-MDZDMXLPSA-N 438.277 4.968 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 1875094966 RRQSDCYNWCLTBG-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE C#CC1CCN(C(=O)c2ccc(C3CCN(C(=O)OCc4ccccc4)CC3)cc2)CC1 1892023692 JMXJADLVCXXYEF-UHFFFAOYSA-N 430.548 4.688 30 10 IJEE C=C1CC(C[C@@H](NCC)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 2011044715 YDRHPSFXZMXWLV-HSZRJFAPSA-N 427.633 4.880 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C1CC1 2014635224 SNAZAUGVHGSMTB-IIBYNOLFSA-N 434.541 4.606 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1OC 2042451717 CTMJRYVZPOFTLM-UHFFFAOYSA-N 447.329 4.892 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(Br)c2F)C(C)(C)C1 2106117200 NNDWNNBSDSQDRS-AWEZNQCLSA-N 426.330 4.907 30 10 IJEE C=CCC1(C(=O)N(C)Cc2scc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2124494188 KAXLGWGPGCETEZ-UHFFFAOYSA-N 443.407 4.591 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CN(c3cc(Br)cc(F)c3C#N)C(C)(C)[C@H]2C1 2174807662 FHVFQSGSDHAMDQ-WFASDCNBSA-N 438.341 4.542 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccc(Nc3cc(Br)cnc3C#N)cc2)CC1 2206257665 JNIPWHDHFKKPRQ-UHFFFAOYSA-N 429.318 4.973 30 10 IJEE CC(C)(C)NCC#Cc1sc(Br)c(Br)c1Br 2212189392 KMUCPQPQZKYZJH-UHFFFAOYSA-N 430.003 4.775 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2235717654 BTDWWDSKPWLHQB-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2235725354 NLHSCDYPEXOTAO-QRQLOZEOSA-N 435.406 4.718 30 10 IJEE CC1(C)CCC(NC(=O)OC(C)(C)C)([C@@H](N)C#Cc2ccccc2Br)CC1 2235731860 QNWWJTMDTOEWBH-SFHVURJKSA-N 435.406 4.992 30 10 IJEE N#Cc1cc(Nc2ccc(Br)cc2I)ccc1[N+](=O)[O-] 2240326292 XOACJXMGGMYVQA-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)CC(C)C 2243925994 DDVYVASUAJBYFF-RUZDIDTESA-N 447.579 4.948 30 10 IJEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1C 2258085657 HSMJLSHPMFLTCL-SFHVURJKSA-N 425.353 4.874 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2c(Br)cccc2C#N)(C(F)F)CC1 2269736318 VHDLKVITARTTOS-UHFFFAOYSA-N 430.293 4.767 30 10 IJEE CCN1C(=O)C(=Cc2ccc(Br)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 2293727286 XQIWUACARSMTOD-UHFFFAOYSA-N 432.299 4.981 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296227046 LLCMARINCYXBPI-PKOBYXMFSA-N 448.382 4.758 30 10 IJEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 2296935846 KCMHMXOQWYDPPL-JOCHJYFZSA-N 446.890 4.926 30 10 IJEE CC#CCN(C[C@H](O)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2316053547 DWGFKPHBBQIEQG-OAHLLOKOSA-N 430.770 4.575 30 10 IJEE COc1cc(C=Nn2c(S)nnc2CCc2ccc(C)c(C)c2)cc(Cl)c1OC 2322044975 ZNZUIGMSKAGPIW-UHFFFAOYSA-N 430.961 4.522 30 10 IJEE Cc1ccc(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccc5c(c3)OCO5)C4)C2=O)o1 2322371886 GEZGHAVNEVHGJI-UHFFFAOYSA-N 431.444 4.593 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)ccc2C1=O 2322974956 AUTATCVNHXRMKY-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323149585 PLZQOHHIALHLPQ-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OCc1nc(O)c2ccccc2n1 2323212623 MMWIDCQUXAYMRH-UHFFFAOYSA-N 430.435 4.958 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)NN=Cc1c(Cl)ccc(Cl)c1Cl 2323395945 BAVPSLYEGMJCSS-UHFFFAOYSA-N 428.124 4.621 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2324080558 HRQBEWSRIZAKOV-UHFFFAOYSA-N 439.895 4.702 30 10 IJEE COCC(=O)Oc1cc(C=CC(=O)c2ccc(Cl)cc2)c(Br)cc1OC 2325730109 YFYJAQXLRBRYIZ-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2cccc(C(=O)OC)c2)c1 2326752529 SIOGQWCZBQTBRK-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE CCCOc1ccccc1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SCC 2328471402 JHMHLBGDZAPZRS-UHFFFAOYSA-N 425.514 4.560 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2ccccn2)cc1 2329278298 PJGXJDVBXRXYPX-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccncc1 2330084439 YIHRVIRJZRPKEA-KRWDZBQOSA-N 444.520 4.908 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)c1O 2330675018 PLKULDRLVGJVHU-UHFFFAOYSA-N 434.496 4.973 30 10 IJEE CCOc1cc(C=Nn2c(SC)nnc2[C@H]2CCCO2)ccc1OCc1ccccc1 2330881452 AQDCNPGDGXGXCQ-HXUWFJFHSA-N 438.553 4.711 30 10 IJEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(Cl)ccc1O 2330899565 DBNXRHFFNYNOCV-IBGZPJMESA-N 428.945 4.972 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2[C@@H]2CCCO2)cc1 2330910450 HGHVBRJBBQXPFN-FQEVSTJZSA-N 426.517 4.842 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccco2)cc1 2331170185 DCHODXBKVQEWTM-UHFFFAOYSA-N 447.520 4.550 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C)cc2)cc(OC)c1OC(=O)c1ccc2c(c1)OCO2 2331259700 OWFJLWWBYAKPAJ-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1cccnc1 2331431235 FCPQGIOPMRFBIG-UHFFFAOYSA-N 437.835 4.588 30 10 IJEE CN(c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1(CNC(=O)OC(C)(C)C)CCC1 2339583921 ZVTFGMRQYINKHX-NTCAYCPXSA-N 443.397 4.610 30 10 IJEE C=CCN1C(=O)[C@H](C)Oc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081287 BBGGUTRPZKUYJO-OLZOCXBDSA-N 435.307 4.699 30 10 IJEE C=CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCC)CCC3)c1ccccc1 18288388 XMVLVEDCSIOOEF-UHFFFAOYSA-N 439.606 4.668 30 10 IJEE C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1[C@H]1COc2ccccc2O1 24045393 HKJLWIGSPKLRNE-XJKSGUPXSA-N 427.530 4.510 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccccc1Cl 33409578 GOGMZHBCKSYJFV-HVMBHNBBSA-N 438.955 4.660 30 10 IJEE C=CCc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCC 33803816 STXBVAHRNSUILU-UNOMPAQXSA-N 426.900 4.963 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC)c1 35487709 WFHNJZCSDYLFLE-OAQYLSRUSA-N 439.895 4.593 30 10 IJEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N1CCC[C@H](C)C1 59811065 NNHOLGBLPQNFNJ-SFHVURJKSA-N 435.597 4.580 30 10 IJEE C=CCOc1ccccc1NC(=O)CNc1cccc(C(=O)N[C@H](C)c2ccccc2)c1 66096871 NGNGMWSAWNDATC-LJQANCHMSA-N 429.520 4.793 30 10 IJEE C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 72002327 BJJNZMHKTRXAAX-QGZVFWFLSA-N 442.494 4.729 30 10 IJEE CCN(C(=O)c1oc2c(c1C)/C(=N\NC(N)=S)CC(C)(C)C2)c1cccc2ccccc12 101110055 IHLJAJVOJSIETL-IMRQLAEWSA-N 448.592 4.918 30 10 IJEE FC(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](NCc1ccccc1)n1nnc2ccccc21 106830496 ZOERGGQLBMPROF-HNNXBMFYSA-N 438.322 4.891 30 10 IJEE CN(C)C(=O)COc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 107877293 KBZALXBMCMJPHZ-QFIPXVFZSA-N 447.922 4.715 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 169953572 IDKRAPZBOZZHBE-XMMPIXPASA-N 442.515 4.853 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 169963351 BGPKHLFXZDSZLL-NRFANRHFSA-N 430.847 4.700 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4cccc(Cl)c4)[C@@H]3c3cccnc3)nc2c1 170014319 NMJZUMHSRINFPE-FQEVSTJZSA-N 444.878 4.703 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 170057086 PHJKVTMJJSTMQG-LJQANCHMSA-N 434.319 4.997 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1C 170058920 PHWHGVCYKDJXNW-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2)c(C)c1 170064838 DQFDWIUOLAEBNU-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)[C@@H]3c3ccco3)nc2c1 170098641 GVXVXUVPNKVIOA-QFIPXVFZSA-N 427.460 4.566 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(C)o2)cc1 170103286 PYJBZZUJDUHCEB-NRFANRHFSA-N 443.459 4.646 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccc(O)cc3)ccc2O1 170130451 FYYWKFHRIFYGKC-FPTDNZKUSA-N 447.512 4.556 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(O)cc1 170133517 IIGOXKSONAYATF-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 170138779 SQFIHVQDUHTLSB-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2Cc2ccco2)c1 170144035 ODTWBXVTUMVOQK-HSZRJFAPSA-N 429.472 4.692 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)cc1Cl 170169784 WTTOMNCMPVPHTH-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccn2)cc1C(C)C 170177901 GWQSYEFKOYBKFH-HSZRJFAPSA-N 446.503 4.894 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccncc2)cc1 170212488 NCHOZSCRAZJHDR-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccccc1 170233544 KBQWVEKQTRTCNK-QFIPXVFZSA-N 437.536 4.705 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(F)cc1 170237972 KAQBSGUIIZNUGI-QFIPXVFZSA-N 441.499 4.616 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2C)c(OC)c1 170270796 YBZXDKSJFBMLED-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(C)o2)c1 170302072 CVRVNYOFHFEAIS-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc(OC(C)=O)c1 170321346 XFSSIJXEEQSVRN-QHCPKHFHSA-N 429.472 4.753 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 460774632 OMFZEEBGYCGPGD-GOSISDBHSA-N 429.528 4.578 30 10 IJEE C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 471003671 FSTRJUGLOSSIRS-YWZLYKJASA-N 442.350 4.987 30 10 IJEE CC(C)c1ccc(/C=C\CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1 491457780 VMNDXHODCOLSOZ-VURMDHGXSA-N 427.552 4.602 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(C)cc2)c(OC)c1 526522192 QGOOKDBIXOPSDV-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1cccc(C(=O)OC)c1 526826524 SWDCTGVZYLZTFI-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Oc2ccc(F)cc2F)CC1 533240331 NCEUXERLCYAMGG-MRXNPFEDSA-N 445.535 4.841 30 10 IJEE C=CCN(C(=O)c1cccc2ccc(O)nc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 567539895 WECGOQUKMQEOQN-UHFFFAOYSA-N 432.461 4.805 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 584732821 KTAIIRYMTVDZDK-QFIPXVFZSA-N 447.583 4.696 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc3c(c2)OCO3)cc1 586250561 MWBQOVGIQWWRCT-UHFFFAOYSA-N 448.544 4.980 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c(F)c1 619020835 QLFISJPXPAEVCZ-UHFFFAOYSA-N 432.242 4.908 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1c1ccc(O)cc1 685551648 QTLWXVMQAIMVMA-LJQANCHMSA-N 425.330 4.941 30 10 IJEE C=C(COCC)[C@H](NCCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 693703734 WJUOXGLAHFUDOT-QHCPKHFHSA-N 445.648 4.507 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705507664 SXJRQDPBZHEWBM-GVXSCFBNSA-N 436.596 4.905 30 10 IJEE C[C@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709339051 BRTZDWNHLOBASD-GXYOHSSGSA-N 434.541 4.604 30 10 IJEE CC(=O)C1=C(c2ccc(C)cc2)N(CC2CC2)C(=O)N[C@@H]1c1cnc(-c2ccncc2)s1 753389250 VEPPZKKLPBJZNJ-JOCHJYFZSA-N 444.560 4.990 30 10 IJEE C=CCc1cc(CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(O)c(OC)c1 754726562 LFCKGOQCDGWHJE-QFIPXVFZSA-N 426.944 4.731 30 10 IJEE COc1ccc(/C=C(/C)C(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1F 755603295 UCVAPATVVQAJJJ-CKDIWJPDSA-N 434.439 4.900 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cncc(-c2ccc(OC)cc2)c1 757876512 WVUXCIPQUWJKQP-HSZRJFAPSA-N 427.504 4.843 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN(C)Cc2ccc(Br)cc2C)c1=S 766089333 NSWUZZGDWPYHHO-UHFFFAOYSA-N 444.402 4.823 30 10 IJEE C=C[C@@](C)(CCOC)COC(=O)Cc1csc(-c2cc(Br)cs2)n1 784627442 MFKHIZRZXPXNJP-KRWDZBQOSA-N 430.389 4.949 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(OCCC)cc2)SC1=Nc1ccsc1 790744202 YXJHVMNHUANIHJ-IBGZPJMESA-N 441.578 4.521 30 10 IJEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1C 798358160 JUJVSXUQLDUJFS-IRLDBZIGSA-N 449.576 4.622 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc(Br)cc2Cl)CC1 919492845 CBXRWVFHECQUTD-FWHMADFJSA-N 441.753 4.579 30 10 IJEE O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)nc1 1084412423 GFBMPXPZPFKYTJ-UHFFFAOYSA-N 445.248 4.916 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(SC(F)(F)F)nc2)CCCN1C(=O)OC(C)(C)C 1129749828 OTCXNWQZYAIEDP-SFHVURJKSA-N 431.480 4.978 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Br)c(C)c1 1161167447 VXTSZTPDXCYXDC-QGZVFWFLSA-N 425.367 4.623 30 10 IJEE COc1cccc([C@@H](NS(=O)(=O)c2cc(C#N)ccc2C)c2ccccc2Cl)c1 1187063458 DFYRFZOOYQXHIR-JOCHJYFZSA-N 426.925 4.597 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 1206203910 YQURMZYNDNNSMO-IBGZPJMESA-N 444.373 4.718 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccc(F)c(F)c1 1211575919 MPLCNPYSOLRCMS-INIZCTEOSA-N 425.350 4.598 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 1227538140 GZPWELILECSGSK-NLEAXPPASA-N 442.332 4.925 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)c(Br)cc1C 1264281236 YQSDGZFJGUHSCZ-UHFFFAOYSA-N 433.298 4.809 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCc2nc(-c3ccc(OC)cc3)no2)C(F)(F)F)cc1 1272445405 YESPVAFLOVIHIU-FQEVSTJZSA-N 430.382 4.506 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N1CCC[C@@H](C)C1 1286278453 DAIZJCDYTBBBON-AABGKKOBSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCCCO1 1286306430 UZSMDVKINVRAAH-DOTOQJQBSA-N 437.371 4.581 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NCCCCC)CC1 1286346578 YXXFTQPEBOGBNQ-UHFFFAOYSA-N 442.007 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286548797 BUJJRRBETWABTD-QAKNJHSXSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C1CCCC1 1286551351 HKCXMMXQFXSVNW-NQIIRXRSSA-N 425.533 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(CC)C1 1286559217 VEQFVSAVLXEJDX-UWSIMGETSA-N 430.543 4.755 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@@H]1C 1286603294 RADCPHHXYPMUGH-RDJZCZTQSA-N 433.394 4.843 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2c(ccnc2O)C1 1286682105 DCXBFPIUXKNTQN-UHFFFAOYSA-N 427.911 4.757 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CCC1)C1CC1 1286736552 GFYSFOBEDAWPQL-SFHVURJKSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1 1286740768 WHJOGPWGKNUBCU-WOJBJXKFSA-N 446.542 4.809 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(COCC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286765612 GVUGMTRZZOSTRB-IRXDYDNUSA-N 426.483 4.936 30 10 IJEE C=CCOc1ccccc1Cn1c(C)nnc1N(C)Cc1csc(Br)c1 1286795861 MIWDQHVKMQCFNI-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CC)CCCC2)C1 1286804591 LFCKTMDROUPXAS-HXUWFJFHSA-N 440.588 4.714 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N(C)Cc1csc(Br)c1 1286828934 ASZHRGUSSFTJER-UHFFFAOYSA-N 427.437 4.925 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 1287270633 BABWPQIUMKKWCJ-CTNGQTDRSA-N 425.552 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1300275360 UEVGKKLPRHHTGE-CHLMOITFSA-N 438.616 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cc(C(CC)CC)no1 1300299612 RTYIMTVCIPBZFJ-SFHVURJKSA-N 443.555 4.529 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1300383890 JDLISJUXTDUFSV-QRVBRYPASA-N 428.602 4.560 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCCCC1 1300516628 ROHZBOTYSWXZQZ-UHFFFAOYSA-N 449.668 4.613 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(CC)CCCC2)CC1 1300690489 MKVISGPGFCDEKU-UHFFFAOYSA-N 446.426 4.978 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC2(CCC2)C1 1300775850 BACKXQLPTSNOKW-UHFFFAOYSA-N 433.046 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1C[C@@H](OC(C)C)c1ccccc1OC 1300800622 YPINPZZLHIKJPF-ZEQKJWHPSA-N 445.567 4.507 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 1301176477 BEPSVAXDJLGEMZ-HXUWFJFHSA-N 448.340 4.514 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1CCOCC1 1301374532 ARTPTZFQJUXPJV-UHFFFAOYSA-N 437.632 4.532 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(C)ccc2OC(F)F)C1 1301557451 PBIYACGQGPZMHJ-GOSISDBHSA-N 434.531 4.606 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 1301558542 WWGOETLUBOWOLR-GOTSBHOMSA-N 439.648 4.513 30 10 IJEE CC[C@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1306268758 GWNVXJCNALKWBT-JXFKEZNVSA-N 436.947 4.569 30 10 IJEE CCCc1c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cnn1-c1cccc(C#N)c1 1307097807 DLVDNDXUTMGZTE-UHFFFAOYSA-N 434.443 4.734 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccccc1)c1ccccn1)c1ccc(Br)cc1 1312936899 MPVNZXDAQOTEGZ-UNMCSNQZSA-N 434.337 4.802 30 10 IJEE Cc1nc(SCC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c(C#N)c(C)c1C 1349560578 FKFPQIPUHYAGDH-FQEVSTJZSA-N 442.654 4.622 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1Br 1350195182 FIDBDXLMXGQFHF-UHFFFAOYSA-N 446.301 4.525 30 10 IJEE C=CCC1(C(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2OC)CCCC1 1350913224 SPKZKLFYFPOTRL-UHFFFAOYSA-N 442.581 4.985 30 10 IJEE CC[C@@]1(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN(C(=O)OC(C)(C)C)C1 1352077264 HFKWFWDHIYQTHK-HSZRJFAPSA-N 440.569 4.581 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 1355762933 DGNHXDBSYJHUHX-UHFFFAOYSA-N 426.314 4.636 30 10 IJEE C#CCCCn1c(-c2cccn2C)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1358926284 JYQCRRPFCRGTBK-UHFFFAOYSA-N 431.584 4.685 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1358934151 RPPQLLDARVFPRF-UHFFFAOYSA-N 448.615 4.555 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCOC1CCCCCC1 1358943248 BFAKWDLPTZJNMB-UHFFFAOYSA-N 449.368 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1358998028 NJZGBILQCXJQOO-MJGOQNOKSA-N 448.464 4.753 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1sccc1Br 1359002576 FKBVNXKVDRYGOQ-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCC(C)(C)C1CC1 1359018769 BKQGEFXHCQUMSX-UHFFFAOYSA-N 445.405 4.620 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1359048819 BZDADEZAXGISDR-KRWDZBQOSA-N 444.004 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359192464 GKBRATMUMVBDEX-KGVIQGDOSA-N 440.579 4.649 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359211014 POEKLKXAMIXDEO-UHFFFAOYSA-N 443.020 4.652 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 1359232412 UIQSFYGOWNZBJE-CQSZACIVSA-N 435.425 4.642 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCc1nccs1 1359255483 ZVEOHRKGBAPXML-UHFFFAOYSA-N 425.602 4.767 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCO[C@H]1C(C)C 1359257924 AIRBQXZXXWZLBI-VWNXMTODSA-N 431.584 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(CC)C1 1359263415 BALKUYSRMFYUBE-IBGZPJMESA-N 439.604 4.604 30 10 IJEE C=CCSCCn1c(CC)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 1359344098 LUQSJXCOYFIBEC-UHFFFAOYSA-N 431.656 4.816 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CCCS2)c1C 1360865554 DCMVFQXJMQLTCX-ZDWFVDTJSA-N 427.618 4.917 30 10 IJEE CCOC(=O)[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1cccc(C)c1C 1435992002 CUXWIEWOFYITMY-VWLOTQADSA-N 442.515 4.788 30 10 IJEE CCCOc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(OC(C)C)c1 1437239013 AUMACKNLTIXQCV-UHFFFAOYSA-N 435.568 4.529 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 1440741589 YKJCLZKSZLTCCX-OAHLLOKOSA-N 446.466 4.824 30 10 IJEE O=C(Nc1cccc2ncnc(O)c12)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1455613842 XDNFEHKTCXCMFO-UHFFFAOYSA-N 433.283 4.877 30 10 IJEE CC(C)[C@](C)(N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 1459948033 DXRXJVNPBUOXKK-GMAHTHKFSA-N 440.385 4.977 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1 1465166725 XMTNOYCNDQDCEC-UHFFFAOYSA-N 431.439 4.936 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1NCc1cccc(S(=O)(=O)C(F)(F)F)c1 1472905672 GCTHKARDTZFINL-UHFFFAOYSA-N 425.819 4.665 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC 1474340613 QSKNWQYSZGMNIC-UHFFFAOYSA-N 449.378 4.915 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc(Br)cc2)c1 1476578398 NJTQAVCMMXGPEE-UHFFFAOYSA-N 443.341 4.925 30 10 IJEE C=CCn1cc(CNC(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)nn1 1478507285 OLFUCDGPKYHSOV-UHFFFAOYSA-N 432.311 4.563 30 10 IJEE C[C@H]1C[C@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)(C)C)nc2)C1 1493229269 CHEKOWHOZOOQLV-OALUTQOASA-N 444.583 4.920 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(OCC)CCCC1 1507530955 YYHXMFBVZIDMEW-HXUWFJFHSA-N 448.567 4.924 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507542611 LXMZEPAYLWWKLD-MZLICYQSSA-N 436.600 4.594 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507575392 FOTWZMDZJKNVID-JOCHJYFZSA-N 429.568 4.709 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1507590912 HQMFPOKRHSVEOA-UHFFFAOYSA-N 440.035 4.636 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CC 1507665235 ZSGLWLSEQIGMOI-UHFFFAOYSA-N 427.390 4.915 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1507680313 DCBAYXIMEHJWFC-AZUAARDMSA-N 446.542 4.847 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1507757642 WKJFSZWLVKHOPP-PXNSSMCTSA-N 431.005 4.646 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(CC)C[C@H](C)CC 1507787599 ISAMVEILWUGPGF-CYBMUJFWSA-N 427.337 4.928 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(Cl)c1)C1CC1 1507987478 DCYYAKVKZYFLKP-UHFFFAOYSA-N 432.753 4.892 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(Br)ccc1OC)C1CC1 1507989697 DEKWVZBDSRWLQG-UHFFFAOYSA-N 443.345 4.821 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1ccc(OC)cc1 1508067672 NLBCZKUXVZBSHV-FQEVSTJZSA-N 441.576 4.571 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1)OC 1512749731 AWRDAXHFCLFRBQ-WZONZLPQSA-N 448.571 4.791 30 10 IJEE C#CCC1(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CCCCC1 1520763970 KCXNXPJWCUYGJR-IBGZPJMESA-N 445.401 4.651 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](c1ccccc1C)C(C)C 1521303503 GMUCHPSBJUGRES-OAQYLSRUSA-N 445.357 4.920 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)C(C)(C)C)cc1 1523243643 AXQPWCDZSVFNCU-JOCHJYFZSA-N 434.580 4.994 30 10 IJEE Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1527277188 IFBDQRPFLUQJHP-ZDUSSCGKSA-N 428.508 4.956 30 10 IJEE Cc1cc(C(=O)N[C@H](c2c[nH]c3cccc(F)c23)C(F)(F)F)nn1-c1cccc(C#N)c1 1537339433 CLHOXGLCNGGMCF-HXUWFJFHSA-N 441.388 4.706 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1538199433 SJDOJJSEIWQBEH-OXQOHEQNSA-N 428.326 4.510 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)CSc2cc(Cl)ccc2Cl)CC1 1539069377 DEGBGTJPNUHHIS-UHFFFAOYSA-N 436.364 4.859 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(OCc4ccccc4)c3)cc2C1=O 1539093125 OSPBATHSDYFMPC-SFHVURJKSA-N 440.499 4.539 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1539132705 ACDDOEKANXWUCN-HXUWFJFHSA-N 430.980 4.708 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)cc1 1539198357 WGKVRVGXKIIOCR-UHFFFAOYSA-N 439.508 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](CC(C)C)N(C)C 1539547157 TWQIILINXNEVAV-WZONZLPQSA-N 431.987 4.706 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC)CC1 1539622930 IXSQFYSVZAWMHK-AUSIDOKSSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)c1ncc(C)s1 1539669063 KMRDCLNQWKUNHW-JXFKEZNVSA-N 439.585 4.762 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539690895 AVNFANYFUJQKSQ-SFHVURJKSA-N 441.377 4.531 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1539847452 LVXNOVQZSZSZFE-DENIHFKCSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1539972077 ZPSSIKABTJMXDB-UHFFFAOYSA-N 427.637 4.596 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1540098917 MKRGODMVAVVBBA-WOJBJXKFSA-N 432.616 4.728 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C(F)(F)F)cs2)C1 1543550221 CJRGQCHLZLSAIS-OKILXGFUSA-N 446.502 4.823 30 10 IJEE C=C(CCC(=O)OC)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 1546327247 KKEPYHRWBLKLPA-UHFFFAOYSA-N 431.414 4.551 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)CCCC1 1557506687 QJPKSWZGRPNNMS-UHFFFAOYSA-N 448.972 4.768 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(CCC)ccc1Cl)c1ccc(Br)cc1 1561601677 UPFCHJDNWCKVJR-QGZVFWFLSA-N 426.763 4.708 30 10 IJEE C#CCN(C(=O)Nc1ccc2nccnc2c1Br)[C@H]1CCCc2ccccc21 1562782555 OKVCZSVRLAXGQM-IBGZPJMESA-N 435.325 4.937 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(OCCC)ccc2C1)c1ccc(Br)cc1 1564999453 KUAFTCIOACZALV-NRFANRHFSA-N 427.342 4.680 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1583579906 WRDGIEONOHCWSU-ICSRJNTNSA-N 430.907 4.578 30 10 IJEE C=CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1585016396 STSCEQQACFMJQW-NRFANRHFSA-N 433.470 4.984 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)c2C#N)C1 1586957954 BEPYTLXMCFQFHV-JKSUJKDBSA-N 434.348 4.573 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1587827278 JRIFDANYSMKFBO-JOCHJYFZSA-N 449.643 4.787 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC(C)(C)OCC 1588558926 BRWRAGYGJMGFRF-UHFFFAOYSA-N 426.561 4.524 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1589559478 RTQOGGKAGNGSOQ-FYYLOGMGSA-N 438.620 4.542 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)OCCCO2 1589615633 SFSWBSRIOKYGOF-UHFFFAOYSA-N 439.947 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1594529504 UYYPHICMSOHPBY-QUCCMNQESA-N 428.552 4.604 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@H]1CC 1594793094 GGJYULJDIDQUNY-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](OC)C(C)(C)C 1594913262 GFCQQSQHZWXPQV-INIZCTEOSA-N 425.346 4.530 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)[C@@H](C)CC 1595184879 FJBXTFFPNYEWIX-IFXJQAMLSA-N 439.423 4.745 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1cc(F)ccc1SC 1595260986 NTBOGXIYNURLJT-HXUWFJFHSA-N 442.560 4.867 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C(F)(F)F)CCC[C@@H](C(C)C)CC3)cc2C1=O 1597295160 QFEUIZMKENNNMA-IVZQSRNASA-N 436.474 4.736 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(O[C@H](C)c4ccccc4)ccn3)n[nH]2)c1C 1611580477 LMITXCNFEZZOFW-GOSISDBHSA-N 442.523 4.863 30 10 IJEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cc(Cl)ccc2OC(F)F)n1 1612183690 BGTZRZMMRFNJGL-ZDUSSCGKSA-N 446.889 4.548 30 10 IJEE C=CCn1c(SCc2occc2C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 1613118399 ROJJVORYOUIQBB-UHFFFAOYSA-N 430.551 4.585 30 10 IJEE CCC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)C[C@@H](C)C#N)CCC1 1613744149 GVBLATYEKAEYJU-SFHVURJKSA-N 444.624 4.569 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)c3ccccc3OCc3ccccc3Cl)CC2)cc1 1618179845 BJMISSLMXWWNET-UHFFFAOYSA-N 445.950 4.749 30 10 IJEE C=CCOc1c(Cl)cc(CNCCOc2cccc(Br)c2)cc1OC 1620741400 FRSWFMZYNLQAAM-UHFFFAOYSA-N 426.738 4.845 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2cc(Cl)ccc2F)cc1 1621680273 BNUAJSHWHHAUTR-UHFFFAOYSA-N 432.879 4.881 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2c(C)[nH]c3ccc(F)cc23)cc1 1622964872 SYZCCGXLAHVLGJ-UHFFFAOYSA-N 434.515 4.794 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)cc1 1623087743 UVRNJGMOXWSJKA-UHFFFAOYSA-N 435.705 4.541 30 10 IJEE CCN(CC)[C@@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(C(F)(F)F)cc1 1625751984 GSFUMAQRRKGZLF-IRLDBZIGSA-N 431.502 4.977 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2nnsc2Cl)c1 1634160660 LCDQTZBGCCWZNY-ZDUSSCGKSA-N 443.356 4.833 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCCO1 1638986788 KREYQIHXKHMUIA-JOCHJYFZSA-N 440.927 4.590 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1C 1653301709 FWSCQDLVQNGKFJ-JOCHJYFZSA-N 446.378 4.930 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccc(F)c(F)c1 1661498167 FTEDZBBCYMISFQ-INIZCTEOSA-N 437.251 4.776 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1c(Cl)ccc2ccccc12)c1ccc(Br)cc1 1663547661 AXESGMIVUPVJKL-GOSISDBHSA-N 434.742 4.909 30 10 IJEE C#CCN(Cc1cc2ccccc2nc1OC)[C@@H]1CCOc2ccc(Br)cc21 1663980296 SJAHGKNTVGJVNM-OAQYLSRUSA-N 437.337 4.965 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC=C(c2cccc(Br)c2)CC1)C(C)C 1665701283 KFNYOXPUNHNJPD-QFIPXVFZSA-N 446.433 4.946 30 10 IJEE C#CC[C@H](COC)NC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1666319867 GSTDTUDARPWCEQ-GOSISDBHSA-N 434.418 4.509 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)c(F)c2)c1 1667047405 RKKYBXXCMVIPJK-UHFFFAOYSA-N 444.325 4.965 30 10 IJEE Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)c2ccc(F)cc2Cl)cc1 1667184046 GKNHVJQMPUNCFM-OAQYLSRUSA-N 432.879 4.866 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(Cl)c1Cl 1670056373 OFLFZAGPQAFHDU-UHFFFAOYSA-N 436.133 4.565 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 1671360951 LNSXVFPGTPWLJI-UHFFFAOYSA-N 439.512 4.885 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C)c1ccccc1 1671795218 LGXSCICCNAQBBF-JOCHJYFZSA-N 433.533 4.600 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(Cc2ccc(OCC)cc2)CC1)c1ccc(F)c(F)c1 1671851127 BHBXSNZOIJMZPX-QHCPKHFHSA-N 429.511 4.508 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(I)c(C)c2C)cc1 1674914632 BXFVWTQVSWLJPM-UHFFFAOYSA-N 436.293 4.795 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 1675023793 VTDWMEOLRQPCOT-KRWDZBQOSA-N 435.524 4.888 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 1676181034 CFMSRZAJPLVLPF-UHFFFAOYSA-N 431.330 4.508 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccccc1)C1(CO)CCCC1)c1ccc(Br)cc1 1682357315 WZKZNCMCSCPKIZ-SFTDATJTSA-N 441.369 4.717 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1684704494 NQARTRYHZFHCGS-FASAQXTFSA-N 435.749 4.852 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 1685055717 IYXYMZHPMJAAAW-GBXCKJPGSA-N 440.609 4.740 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 1689892237 BBBHLFQZLBKYQL-VQTJNVASSA-N 443.636 4.678 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(F)F)C1 1690230048 PBGOUZZZJICMFZ-MRXNPFEDSA-N 425.321 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cccs1 1690248053 JXSJUBFYKNBAPC-GCJKJVERSA-N 426.561 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690422347 MEBGWTCOIPLSLI-SJORKVTESA-N 444.601 4.551 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1690469171 GMAOTCMUZLSSEY-VQIMIIECSA-N 435.016 4.576 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1690503285 XDFOJMVGMOKDMN-IBGZPJMESA-N 426.605 4.839 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1csc([C@H](C)OC)n1 1690518561 OCDRAUARKJJTKI-ZDUSSCGKSA-N 448.390 4.542 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)Cc1cccs1 1690536395 VPLOBACTUODKNI-OKZBNKHCSA-N 445.633 4.611 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC(F)(F)C1 1690561360 NJMUKKQYLIBDSA-JOCHJYFZSA-N 448.521 4.764 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CC(F)(F)C1 1692346270 ADMNFWDWRIYSJI-FQEVSTJZSA-N 445.514 4.602 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@H](C)c2nc(C)cs2)n1 1693181581 BQGIVVJUWJYGLF-KRWDZBQOSA-N 437.617 4.983 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1(COC)CCC1 1705505793 OBCSNTWVKACTTR-KRWDZBQOSA-N 433.021 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H]1CCOc2ccccc21 1705506109 RCYPJJJEZHMPRA-KLJZETAQSA-N 436.600 4.611 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2=CCCCC2)c1 1705507960 NHWXPROESPIIMM-UHFFFAOYSA-N 431.584 4.567 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CC[C@@H]21 1705516795 JAHYCDMDUCDHNV-CTNGQTDRSA-N 441.620 4.575 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccccc1F 1705521450 BVNUJKJYPKBNIU-BEFAXECRSA-N 444.461 4.881 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC1CCOCC1 1705526646 MYAFWHJOXHIDES-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1705531103 YGSCMAYEJGOHIT-DOTOQJQBSA-N 431.378 4.754 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC1 1705696264 MIWUKIIIUKENEH-HKUYNNGSSA-N 431.378 4.597 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1705732427 YYJGOKDBWYJYEO-JOCHJYFZSA-N 431.540 4.906 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCOC1 1705732429 YZRTXMUEIBEBIB-FQEVSTJZSA-N 426.605 4.698 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCOC(C)(C)C)CC1 1705765326 GYMBFNOFVXQTBJ-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(F)(F)F)CC1 1705777541 FKLJPNPONXQVBM-UHFFFAOYSA-N 445.283 4.681 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705792070 LSGSHJICOYCRAS-RTBURBONSA-N 429.634 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C)o1 1705792717 YQRJQKQYFCXSNW-UHFFFAOYSA-N 449.603 4.592 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC=C(C)C1 1705806628 ISWMVBVABFJEIM-HXUWFJFHSA-N 429.609 4.905 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1705813268 BLDAQNAEJSJPQW-QAPCUYQASA-N 429.977 4.988 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H](CCC)OC)C1CC1 1705851764 QZCUBAFYGIHGLQ-INIZCTEOSA-N 437.357 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)O 1705864252 VPCONYWCNQJHEA-UHFFFAOYSA-N 433.581 4.827 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1c(C)noc1C 1705864982 DJYYEFDJKUZPLY-UHFFFAOYSA-N 444.564 4.918 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1705880293 AWWFEQZQZJMNSP-VWPQPMDRSA-N 428.577 4.553 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1CC1(SC)CCN(C)CC1 1705880532 IJRWNUJSEVOARU-UHFFFAOYSA-N 443.661 4.591 30 10 IJEE Cc1ccccc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1707673395 DQSQDACCKPTZLC-XLGIIRLISA-N 435.616 4.878 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCCCC1 1722281352 USOHBMRGGALWRS-INIZCTEOSA-N 428.005 4.757 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN(C)C1CCCCC1 1722343165 IIZDQOYFCUJEBP-UHFFFAOYSA-N 430.600 4.526 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCCCC1 1722494257 BSUQPTNHYKNXER-NFBKMPQASA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1722589547 STVVRRFZFRUSQQ-UHFFFAOYSA-N 429.008 4.974 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722606151 FZJIBXLMHMQULQ-YADHBBJMSA-N 425.621 4.749 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1722655373 KUPZNKHYEYRWRP-WIOYSNFSSA-N 449.599 4.584 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCN1CCCC[C@H]1CC 1722659145 PAFLCJYZQQFYCU-HSZRJFAPSA-N 448.590 4.936 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(CCCCCC2)C1 1722735747 RFTZKUOYEITKDM-UHFFFAOYSA-N 448.036 4.842 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C1CCCCC1)N(C)C 1723773098 DHHWIKWTHIABLI-DVECYGJZSA-N 445.615 4.742 30 10 IJEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1 1726541416 IETYEMOGAYWKFY-OPAMFIHVSA-N 447.505 4.537 30 10 IJEE CCOc1c(Cl)cc(Cn2c(-c3ccc(C)o3)nnc2N(C)[C@@H](C)CC#N)cc1OC 1728832900 FHGZOZSMWQMVRO-AWEZNQCLSA-N 443.935 4.694 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740570834 UCINEKLXZZKONJ-HSZRJFAPSA-N 449.643 4.850 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](COCC)C1 1740581848 HFUIWPPACNASRS-RTBURBONSA-N 426.630 4.798 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCCCC2)C1 1740585026 NIBBCGIWCNYBRG-HXUWFJFHSA-N 440.563 4.900 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCCN(CC(C)C)C1 1740603065 FPIWMZAGABZUEY-VQTJNVASSA-N 439.673 4.569 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CCC 1740633405 HAIZTMAEFLLMCD-JOCHJYFZSA-N 449.668 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCCC1(C)C 1740728185 PYEKMPUYEXUCIE-RPWUZVMVSA-N 442.991 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)C/C(C)=C/c1ccccc1 1740757275 NVLHGJLYSFIUBA-VEDSQSMFSA-N 431.584 4.805 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCC[C@@H]1C 1740769119 GVHISVQPUIIHAX-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(F)cn2)CC1 1740833378 OLTWLUJRWYLVET-INIZCTEOSA-N 425.483 4.542 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C 1740851984 GRDXMEGMGMZUMP-KRWDZBQOSA-N 432.634 4.779 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC(F)F 1740864237 KRRKNEUIEASRHS-KRWDZBQOSA-N 441.567 4.840 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1740907358 SYVLGVWHKCSABC-CABCVRRESA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1Cc1ccc(-c2nc[nH]n2)cc1 1740922362 DWETXGPYYHEZCL-QGZVFWFLSA-N 433.585 4.879 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CC=CCC2)C1 1740971977 BBEPMPMCIHSQHQ-HSALFYBXSA-N 426.536 4.695 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](CC)C1 1741001648 AFTMRGCBROMVGB-GOSISDBHSA-N 449.665 4.548 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F)C1CCCC1 1745996446 AQMYBKKTWAAWJN-UHFFFAOYSA-N 439.507 4.751 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCC(F)(F)C1 1748687070 BEECCVUTDGEETC-RBUKOAKNSA-N 446.542 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(CCOCC)CC1 1749078166 GLCRIODFADYPPQ-HSZRJFAPSA-N 442.991 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1749368840 RJVMXAOELAYJIJ-UHFFFAOYSA-N 427.593 4.541 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCCN1CCC(C)CC1 1749530965 ATXLXDRRKHSRED-UHFFFAOYSA-N 432.616 4.732 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1CC1(C(C)C)CC1 1749544163 BFRQKKLRPHZXLE-UHFFFAOYSA-N 436.579 4.908 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCN1CC 1760098547 UDQDKGWDQPYNIQ-ZJOUEHCJSA-N 444.023 4.631 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)C(F)(F)F 1760216727 YMMWEXRACJBFBS-UHFFFAOYSA-N 441.457 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)c(Cl)c1 1760291362 MBHSVSFVACBWAQ-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC)CC1 1760316156 MWTTUEOPYOPGBG-VQIMIIECSA-N 448.409 4.643 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760423310 VUWJJBUBVAXYDX-RBUKOAKNSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760444196 ZQSKZVWGLOIGQE-PXNSSMCTSA-N 439.362 4.983 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCC1 1760485999 ZJBRSMHMGKHCME-UHFFFAOYSA-N 432.597 4.557 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccncc1Cl 1760486883 CMLLOMMASQNEFD-KRWDZBQOSA-N 429.977 4.523 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1760506280 AUAKUSPEZKLIOF-WOJBJXKFSA-N 446.599 4.509 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CCS1 1764388521 DFWUEFWGZYVAKW-AZUAARDMSA-N 439.629 4.744 30 10 IJEE C=CCOc1ccccc1C=NN=C1NC(=O)[C@@H](Cc2cc(Cl)ccc2Cl)S1 1772742050 WGSKGBAWQMKOLH-GOSISDBHSA-N 434.348 4.722 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(O)c2)cc1 1862389407 FMHJWMVKXAPAGR-XMMPIXPASA-N 442.515 4.908 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1862451512 HQVHZQIBBCPFLP-BMLIUANNSA-N 440.710 4.606 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cc(Br)ccc2F)cc1 1862484485 NXGRKKXJDQKVNZ-SFHVURJKSA-N 432.289 4.883 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1Br 1862496375 IZPXPIXKRPNHAD-LJQANCHMSA-N 426.310 4.830 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc3ccccc23)cc1 1862531393 MUWCSDJOQZNBSM-VWLOTQADSA-N 442.559 4.932 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862559652 UBWIRSNROGVAMK-FQQGMQMYSA-N 434.536 4.825 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2Cl)c1 1862590124 BJXACJOVBMGEEU-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862598783 ZLAQPQXFLPYYNV-JFJYTDJESA-N 435.520 4.948 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621435 QICOSKVCFAXAHO-QFIPXVFZSA-N 447.874 4.847 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1862751095 JFMJOUADRJMPLO-LJQANCHMSA-N 426.856 4.769 30 10 IJEE Cc1ccc(C2=C(Nc3cccc4cccnc34)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862896198 BOLUNPNVAACHBZ-UHFFFAOYSA-N 430.467 4.812 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 1863345372 QORQJPSSUMNOBS-UHFFFAOYSA-N 437.499 4.739 30 10 IJEE CCCCCCCCNC1=C(c2ccc(C)c(C)c2)C(=O)N(CCCCN(C)C)C1=O 1863606328 BWYIQXSPSBHTRA-UHFFFAOYSA-N 427.633 4.675 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3[C@@H](C)COC[C@H]3C)n2)cc1 1868534102 LUAAAZYBERICBF-HDICACEKSA-N 429.524 4.771 30 10 IJEE Cc1ccc2[nH]c(C(=O)Nc3c(C#N)nnn3-c3ccc(Br)cc3C)c(C)c2c1 1870159854 TZVOWHCEAHLCDN-UHFFFAOYSA-N 449.312 4.560 30 10 IJEE C#CCOc1cn(Cc2ccccn2)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870563984 WQOKKWPXNLVRMX-UHFFFAOYSA-N 449.554 4.506 30 10 IJEE C#CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1871006869 ZMDVGUHUMYZZCA-UHFFFAOYSA-N 433.527 4.506 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(F)c(F)c4)ccc3C2=O)cc1 1871440984 QUOSQLAZDRDVHP-YVNNLAQVSA-N 437.398 4.607 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872571754 LXNQEBWMBCHEMQ-WMZHIEFXSA-N 428.598 4.924 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874264962 SOPRHBAPGVWVAY-CIAFOILYSA-N 431.905 4.803 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(Cc2ccc(OC)cc2)nnc1SCC(=C)C 1874349705 ZMKYQLLCXJLJKV-PCLIKHOPSA-N 434.565 4.993 30 10 IJEE C=CCSc1nnc(C(C)C)n1/N=C/c1cc(Br)c(OCC)c(OC)c1 1874514370 VNRPOYAGVCANFS-RGVLZGJSSA-N 439.379 4.732 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C/c2c(Cl)cccc2Cl)o1 1874532558 PCDISLOVXLAJCF-ZVBGSRNCSA-N 439.324 4.838 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccc(C)cc3)c2)c1 1874593813 CSZWUJDFKCZQMV-UKTHLTGXSA-N 431.488 4.926 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)Nc1nccs1 1874608049 UIBSDKCJORCVRL-XCVCLJGOSA-N 443.322 4.819 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OCC(=O)NCc1ccccc1 1874616115 KEHHOEOABOTFFD-SDNWHVSQSA-N 445.515 4.604 30 10 IJEE C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc1OC 1874632876 ZFFWOFSLWXEPSG-RMKNXTFCSA-N 433.298 4.936 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(COc3ccc(C)cc3C)nnc2s1 1874763847 KDTVAHPEYBBGIZ-UHFFFAOYSA-N 429.590 4.748 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875096334 JAGSFZBIXCKVCG-FQTAANOTSA-N 432.472 4.838 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](CC#N)C1 1895892654 MDSHXQQCNGCYNL-VVMIZEJSSA-N 445.563 4.748 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 1922052425 SFUFMEBFNURMRX-FGZHOGPDSA-N 434.621 4.524 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)c1cccc(F)c1I 1922125012 KKWMQSDGAUSLKC-LJQANCHMSA-N 425.285 4.854 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)c1ccc(OCCNC(=O)OC(C)(C)C)cc1 2012024970 BATVFEJSIYHHJQ-HSZRJFAPSA-N 426.557 4.624 30 10 IJEE C#CC[C@@H](C[C@@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2020078784 OJGNJBUFZRELLZ-VXNXHJTFSA-N 428.617 4.904 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br 2145272038 WNKPKEZBWCQIRL-UTKZUKDTSA-N 428.349 4.951 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(c3cc(Br)cc(F)c3C#N)C[C@]2(C)C1 2174810977 SEPUGRGJOFNWAG-BGYRXZFFSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N[C@H](C#N)C2CCCCC2)c1 2181045097 LFDPIKBSBGVZJH-QGZVFWFLSA-N 436.350 4.998 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)CC1 2205528127 XLPMBVFBTCZRNP-OTVXOJSOSA-N 436.350 4.733 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2235715358 AMBZRQVWBCXJHZ-DLBZAZTESA-N 445.348 4.717 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)cc1[C@H](O)C#Cc1ccccc1Br 2237287510 VYKFLHYQHHHAGW-GOSISDBHSA-N 432.314 4.890 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCN)CCC(F)(F)C[C@@H]1OCc1ccccc1 2252543036 FQSNPVCEBBXUFP-UKILVPOCSA-N 431.523 4.878 30 10 IJEE C=C(Cl)C[C@H](OCCN)c1cc(Br)c(OCC)c(Br)c1 2292886420 WURNZYOUIIHVDF-ZDUSSCGKSA-N 427.564 4.769 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@@H](N)C#Cc2cccc(Br)c2)CC1 2296225584 WSXQGDNWDRWNFY-JGCRXCKMSA-N 439.369 4.551 30 10 IJEE O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2)C1=C(O)c1ccc(Br)cc1 2297740852 LNGHUJPBBNLKOQ-MRXNPFEDSA-N 441.306 4.532 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)c1 2314430094 WDBLWIJQIMRTKR-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CN(CCc2cccs2)CO1 2322193428 QGIFNANJOIZPJB-UHFFFAOYSA-N 434.473 4.667 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2ccc(C)cc2)c1OCC(=O)NCc1ccco1 2322593467 PAZPMTKVXIMHPB-UHFFFAOYSA-N 439.895 4.841 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)cc1 2322884747 KICLPQULWRHYGY-UHFFFAOYSA-N 428.440 4.546 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3C2=O)cc1 2323328173 GVVRWGXDKNXABD-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 2323693468 TXSNIIWRMYNXDE-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324017941 OBERVGTZYURPSI-ZIAGYGMSSA-N 431.891 4.719 30 10 IJEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1cc(OC)c(OC)c(OC)c1)C2=O 2324120657 LRBGHZSLKVQQQC-UHFFFAOYSA-N 441.524 4.656 30 10 IJEE COCCOCC(=O)Oc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 2325668958 ZMICVEAQAKRKHJ-UHFFFAOYSA-N 446.499 4.827 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1 2326021214 USLUDPZBWCRDIX-UHFFFAOYSA-N 428.945 4.809 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cccc(Cl)c2)cc1 2330938852 JDLUQCPDPQRCGZ-GOSISDBHSA-N 443.916 4.866 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cccc(OCC)c1 2331636757 WEUKKWKXVCUZDL-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE Cc1csc(CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1Br 2339428030 CTPPXCDQRXMRIO-UHFFFAOYSA-N 443.603 4.779 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CC[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365108002 SPHYDXRMPGCOLW-BJKOFHAPSA-N 445.416 4.970 30 10 IJEE C=CCC(CC=C)[C@@H](OCC(=O)O)c1sc(Cl)cc1I 2366724912 QZWRTCZSWRCFLP-CYBMUJFWSA-N 426.703 4.917 30 10 IJEE Cc1cc(CSc2ccc(N)cc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369728160 RIUWYTWONRNSKM-UHFFFAOYSA-N 434.208 4.931 30 10 IJEE CCCCCCC[C@](C)(N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F)C(=O)O 2378204113 XCAQBQJMDPTZTD-PXNSSMCTSA-N 432.483 4.637 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1OCCCCCC 14032874 OGNMFHYSYGVPFL-UHFFFAOYSA-N 439.581 4.688 30 10 IJEE C=CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 18404727 WNRNCYTWGJIDAA-UHFFFAOYSA-N 441.560 4.524 30 10 IJEE COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Br)ccc2F)c1 21258041 PECVHFJSIWWJAH-CXAGYDPISA-N 444.300 4.601 30 10 IJEE CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccs1 21648642 AUTDQZYLORHJPS-NSHDSACASA-N 429.596 4.568 30 10 IJEE C=CCn1c(SCc2nc(=O)c3c4c(sc3[nH]2)CCC4)nnc1-c1cccc(C)c1 22212475 LDJNEBFNFYLOAD-UHFFFAOYSA-N 435.578 4.519 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 36805848 YYBYTKUZGRWZCD-IRXDYDNUSA-N 440.544 4.540 30 10 IJEE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=S)Nc1ccccc1)CCC2 40825081 QAWRADZPCBASAD-WPWMEQJKSA-N 433.537 4.571 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN(CCc1cccs1)CO2 41648531 GISOCABPRWZIEI-MTJSOVHGSA-N 448.500 4.976 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCOC)C4)cc1 62993093 DCDATXQBVLMZQS-HAHDFKILSA-N 436.552 4.646 30 10 IJEE COc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1Cl 100293111 SCFNVVAQJUICIZ-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE CCCCCCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Br)cc1 101284424 PACSCUPPZPJBRE-SFHVURJKSA-N 448.365 4.628 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OCC)cc2)S/C1=N/c1cccc(Cl)c1 101613713 VYBZQDHLRJILHQ-FOFUNRBPSA-N 443.956 4.885 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1C 102713741 ZOGNAWSSXYUINL-GOBJLOIFSA-N 438.867 4.580 30 10 IJEE CC(C)c1ccc([C@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN(C)C)cc1 103103605 DIZOTUQIGADFMH-MYXKAAJQSA-N 446.547 4.930 30 10 IJEE COc1cc(/C=N\n2c(SC)nnc2C(C)C)cc(OC)c1OCc1ccccc1 169915616 RKCRFPMOQFUUOD-QRVIBDJDSA-N 426.542 4.602 30 10 IJEE COc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929673 FWTCKNNTXDCPJN-XMMPIXPASA-N 431.463 4.936 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(O)cc2)c1 169965187 WZUQHEKKPSDEGF-NRFANRHFSA-N 448.544 4.861 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccc(C)o2)cc1 170102453 LJSLOAMWRLBKPT-QHCPKHFHSA-N 431.488 4.938 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3cccs3)ccc2O1 170154458 QFDHAXFFWQFNKK-RNODOKPDSA-N 437.542 4.912 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccs1 170163417 GZBAUSCLAKQDBA-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccn2)cc1C 170172180 UWWKWNBEYMXTHD-XMMPIXPASA-N 440.499 4.806 30 10 IJEE COc1c(Cl)cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)cc1Cl 170197031 CTWVVTVVPNTJNN-SFHVURJKSA-N 447.318 4.918 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccncc2)cc1 170201290 WZHLEZUXQNXMFD-HSZRJFAPSA-N 428.488 4.744 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(C)o2)cc1 170301451 KIAQEISCVVOZOJ-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccc(C)o1 170310474 KSBLIJRXXJIHEN-NRFANRHFSA-N 441.524 4.607 30 10 IJEE CC1(C)OB(CCC[C@@H](N)c2cc(Br)c(O)c(Br)c2)OC1(C)C 383830436 PFBZNJQFVXWJML-CYBMUJFWSA-N 448.992 4.789 30 10 IJEE CCCc1c(NC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cnn1-c1cccc(C#N)c1 439681453 ALPXVSARPVICFL-GOSISDBHSA-N 439.523 4.765 30 10 IJEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1CC(C)(C)C 460544923 MWBWBKYCRVUEDD-SFHVURJKSA-N 444.649 4.528 30 10 IJEE C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 466861827 QARJAOALGFBWEG-KUHUBIRLSA-N 433.321 4.987 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469754269 XQDNLOYNXBVQGW-MLGOLLRUSA-N 425.369 4.605 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1c(F)cc(F)cc1Br 487205317 VZFPPOKIXHBNOE-UHFFFAOYSA-N 426.217 4.856 30 10 IJEE Cn1cc([C@@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C(F)(F)F)cn1 487762313 ZBMCDJHRMFQNAL-GOSISDBHSA-N 434.805 4.771 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 503388053 IVFGZRFRVXWJTP-QHCPKHFHSA-N 430.451 4.635 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](c2ccsc2)C1 516094512 RAKDRHLJUWOJCC-NRFANRHFSA-N 440.569 4.568 30 10 IJEE C=CCN(CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)Cc1cccc([N+](=O)[O-])c1 521714744 BPBPSDIEJIGPQR-QHCPKHFHSA-N 439.512 4.689 30 10 IJEE CC(=O)c1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)cc1 526656994 FFTOTEKJCXZEKJ-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)O1 526822516 DUXXQQNCIPISMM-FQEVSTJZSA-N 439.943 4.525 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2nccs2)C1 549279251 IYNZOONOQNYJSR-KRWDZBQOSA-N 448.017 4.834 30 10 IJEE CC(C)(C)OC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CC1 555155726 OLQRCXSXPRBQPV-UHFFFAOYSA-N 445.567 4.561 30 10 IJEE O=C(c1ccn(C(F)F)n1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 681106880 KFKQQPLIIGOVGB-CYBMUJFWSA-N 443.294 4.530 30 10 IJEE N#CCc1cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cs1 687754458 DLTYIHUGGIIRPH-QFIPXVFZSA-N 432.501 4.869 30 10 IJEE O=C(/C=C/c1cc(Br)c2c(c1)OCCCO2)c1ccc(C(F)(F)F)nc1O 731564475 GISXZVICXDAFKS-DUXPYHPUSA-N 444.203 4.626 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCC3(c4ccccc4)CCOCC3)c2)s1 740030249 FLPYNISHLZLNQO-UHFFFAOYSA-N 431.561 4.834 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1=S 749678881 ZGMRHRRLNYYVCL-MOPGFXCFSA-N 447.649 4.546 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 777300983 BLOYVMOHNPIDCW-HXUWFJFHSA-N 434.927 4.920 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 780672840 KBDQAZYVFWWKGS-VQIMIIECSA-N 439.516 4.583 30 10 IJEE Cc1sc(N=Cc2ccc(C=Nc3sc(C)c(C)c3C(N)=O)cc2)c(C(N)=O)c1C 1084621960 FMGWYWWMCXHHCI-UHFFFAOYSA-N 438.578 4.742 30 10 IJEE CCc1ccccc1N1C[C@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1=O 1125086781 CBQKSRVLLDXBKK-JOCHJYFZSA-N 439.515 4.691 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c1 1125756458 ZQSLUONAVPPGQZ-UHFFFAOYSA-N 447.720 4.890 30 10 IJEE COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccccc1 1126820785 DESUWHANJZCVKD-MHECFPHRSA-N 428.488 4.939 30 10 IJEE C#CCOc1ccccc1CNC(=O)[C@@H](Cc1cccc(Br)c1)CC(C)C 1146920632 VVCMPKJBVVCVDH-HXUWFJFHSA-N 428.370 4.982 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1)C(=O)OCC 1153516204 GFFMTYIGBIJQSV-INIZCTEOSA-N 432.542 4.876 30 10 IJEE C#CCOc1ccccc1NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1154541673 PQIIAUBNKJOMMS-HXUWFJFHSA-N 434.492 4.519 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 1156735224 XONFRPFQRPLMAH-UHFFFAOYSA-N 438.524 4.845 30 10 IJEE C=CCNc1ncc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)s1 1159704448 JEJJDPBIQONGOB-IBGZPJMESA-N 433.021 4.767 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@H](OC)C(C)(C)C3)c2C#N)C1 1170423207 AJAAGGDBQJNLJP-UZLBHIALSA-N 431.646 4.846 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 1186394607 ALJCHJNDRURZLO-MJGOQNOKSA-N 442.325 4.601 30 10 IJEE C=CCn1c(SCCN(C)Cc2ccccc2)nc2sc3c(c2c1=O)CCCC3 1188251970 CKHQKCDWQDSPMI-UHFFFAOYSA-N 425.623 4.747 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(Cc2ccc(F)cc2)nc1Cl 1190128204 FTNHZCIHMFXOKF-CQSZACIVSA-N 443.935 4.694 30 10 IJEE Cc1nc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)sc1Cc1cccc(F)c1 1205215405 BOWUDKZAPHSBCN-UHFFFAOYSA-N 449.555 4.797 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)c1ccccc1 1205586605 CNVCCBKHGAJBAC-HSZRJFAPSA-N 442.581 4.858 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(CN(C)CCCC)CC1 1219084191 HIYZBBAOYQAYIH-UHFFFAOYSA-N 438.410 4.990 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1 1220417090 LXMVFVJDRAEAON-KZNAEPCWSA-N 429.565 4.805 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1226661178 RCBDKWIHUGBQGF-AABGKKOBSA-N 435.515 4.765 30 10 IJEE Cc1ccc(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(O[C@@H](C)CC(C)C)c1 1230388985 DOYCKPISAMWFBM-NBGIEHNGSA-N 435.568 4.963 30 10 IJEE C=CCOCCNC(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1233625427 PHWVJNATKKJPAQ-UHFFFAOYSA-N 435.362 4.604 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C)cc1SC 1286275973 VNBGKXCQPVXWEZ-CQSZACIVSA-N 444.402 4.572 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286316703 LKDQKTMKJOIELA-FGZHOGPDSA-N 432.572 4.699 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(SC)CC1 1286434009 BSRCHXVGHBOVHH-UHFFFAOYSA-N 431.030 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC1 1286554611 YOOMAYPSTCXBMY-WMLDXEAASA-N 437.407 4.597 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(Cl)c1 1286557904 LBAKIGAZBQMYHQ-WMZHIEFXSA-N 437.975 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(CC)Cc1ccccc1C 1286563368 JJMKVQHFMZDDBX-ZCYQVOJMSA-N 431.584 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CCC(=O)NC1CCCCC1 1286570551 BRBLUUCXNJGIGR-UHFFFAOYSA-N 429.996 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1Cc1ccc(N2CCCC2)nc1 1286582630 BCGOOPKFAPYBGK-UHFFFAOYSA-N 430.600 4.509 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2CCCC[C@H]2C1 1286623364 XONQKQSHQOWTPS-CABCVRRESA-N 438.801 4.815 30 10 IJEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1286625153 HVFXFYHMQWFBJX-ZDUSSCGKSA-N 446.780 4.922 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)nc1 1286681078 QMIMCNSKKFMROQ-UHFFFAOYSA-N 443.555 4.528 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2ccsc2)CC1 1286707805 IYDTXXJGZAUNJM-UHFFFAOYSA-N 438.597 4.992 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)Cc1cccs1 1286717415 XMRNAOYLZDYYJP-AWEZNQCLSA-N 434.407 4.609 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1286719503 ISWQDMCRHOHMNK-GJZGRUSLSA-N 449.393 4.542 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCS1 1286740863 YMDXNGCTMCQSDW-VWLOTQADSA-N 449.624 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)c1ccc(C)cc1 1286748856 DDSYZKMKUCTVFC-GHTZIAJQSA-N 435.597 4.595 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1ccccc1Br 1295136926 SSNJJAGJBDGCOK-HNNXBMFYSA-N 445.785 4.836 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1296893296 YPMUCISPHWQPHO-HSZRJFAPSA-N 437.584 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 1297140247 XMLAPDNHSXIDFT-VLIAUNLRSA-N 449.334 4.662 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCSC 1300282725 PVVLKSJGOQJVHC-CYBMUJFWSA-N 441.826 4.962 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCCOCCC(C)C 1300284058 XQFTUPVNZXIROI-HNNXBMFYSA-N 439.423 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCC1CC(OC(C)(C)C)C1 1300319619 CKRKIOYLSTXYRE-ITAUSPCMSA-N 438.616 4.916 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(OC)CCC(C)CC1 1300325054 RQMWKBMLZLMYDY-VIHQBZHPSA-N 426.630 4.932 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1300421478 HUYZCKLFIOMWJX-IRXDYDNUSA-N 431.378 4.515 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1300755281 PXLWDLFTHSCCOZ-CALCHBBNSA-N 443.567 4.531 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1300830082 CZSXCMISIWFCRX-YPMHNXCESA-N 445.814 4.993 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1300843404 AXZMGGPTEGXXCK-HKUYNNGSSA-N 438.373 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1300876042 RFXMXQIVMSQODX-XQUALCHDSA-N 443.680 4.721 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1300980183 MYHSVULEKKXETN-AREMUKBSSA-N 438.616 4.842 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2Br)CC1 1301088584 AYNGSAWAAPSYOZ-UHFFFAOYSA-N 429.387 4.898 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1301118827 KGAUQNKSHQSCLR-NRFANRHFSA-N 430.600 4.571 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(COC)CCCCC2)CC1 1301135391 XFRBYDBMQLYSKS-UHFFFAOYSA-N 442.579 4.996 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)CCOc1ccc(Cl)cc1 1301147117 AXLZKPUCNITBQB-SFHVURJKSA-N 432.996 4.943 30 10 IJEE C=CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301178639 QQXVTWYOWRYRRV-GOSISDBHSA-N 431.462 4.617 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC1CC2(CCOCC2)C1 1301283240 UBAUKCZLBFAFFW-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cccc(C)c1 1301373618 ZYAXQBHNYBIIRC-UHFFFAOYSA-N 426.362 4.765 30 10 IJEE C=CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1301447105 GGAIFTGKEGCOTB-UHFFFAOYSA-N 448.880 4.525 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)cc1 1301526582 PARVYZDOTYSHBD-REWPJTCUSA-N 431.584 4.892 30 10 IJEE COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccccc21 1303163174 GEXVNCIDDZJWGY-RPWUZVMVSA-N 426.472 4.676 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](Oc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 1307512127 AGLZULUJVSTREO-UGKGYDQZSA-N 444.362 4.904 30 10 IJEE N#Cc1c(NC(=O)CCN[C@H](CC(F)(F)F)c2ccc(F)cc2)sc2c1CCC2 1307622153 BXSZOWHBYHJDCI-MRXNPFEDSA-N 425.451 4.859 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](NCc2cnn(C3CCCC3)c2-c2ccccc2)[C@H](C#N)C1 1308671201 FHBWKYPGDXKEEE-DENIHFKCSA-N 435.572 4.514 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 1309466199 HPESMTZBVHDUNF-UHFFFAOYSA-N 433.371 4.708 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccc(Br)cc1 1350657328 GPYZGSOXXPUDAZ-QGZVFWFLSA-N 430.302 4.525 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(Oc2ccccc2)c(F)c1 1355211979 BIYLVKARWWWWBM-PXNSSMCTSA-N 443.478 4.720 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1358905478 APXQELLXYXUSHH-IBGZPJMESA-N 426.008 4.713 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1359052963 WLJOKVKJRXOVNL-KDURUIRLSA-N 442.629 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCN(C)C1CCCCC1 1359067635 VZHSUWLFCVKITB-XMMPIXPASA-N 443.998 4.994 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@H](C)COc1ccccc1OC 1359072739 PECAUTARSGBOGH-FQRUVTKNSA-N 436.600 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H](O)C1 1359074922 WXPBBEKZJSOLOK-HFJQGTKSSA-N 445.032 4.767 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N(CCC)Cc1ccc(F)cc1F 1359085835 ALIPEGYJRDLEHZ-UHFFFAOYSA-N 425.321 4.834 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359154408 OKDUXIGACDABDA-UHFFFAOYSA-N 440.897 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1359190744 BJFWTKFYIWNSAM-ICSRJNTNSA-N 445.652 4.963 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCC[C@H](C)C1)c1ccccc1 1359195362 LHNDQMJVPWEHQO-MDNUFGMLSA-N 435.616 4.775 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(C(F)F)nc2n1CCCC2 1360644205 RROGSBYGVUGLRB-UHFFFAOYSA-N 442.279 4.887 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)cc1 1434886581 ZCIMJNDUZWPFLK-MRXNPFEDSA-N 432.442 4.926 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2(C(C)C)CC2)ccc1Cl 1435398390 VCGDLIIRDRXDJE-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE C#CCN(C(=O)CCc1c(Cl)cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1455810348 JEXRSZPRFNIOEA-UHFFFAOYSA-N 439.383 4.787 30 10 IJEE C=CCn1c(SC[C@@H](C)NC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CCCC3 1458814252 CSKLJFUIBZUENB-CYBMUJFWSA-N 435.615 4.528 30 10 IJEE CC[C@](C)(O)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 1459958511 FYYAANBYYJUTPT-SANMLTNESA-N 436.600 4.693 30 10 IJEE CC[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1463248178 GFJWUJUCFDCNJM-WOJBJXKFSA-N 433.371 4.668 30 10 IJEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 1465223089 GXKPZSNNZADWQL-AEFFLSMTSA-N 436.512 4.720 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)c(Cl)c1 1467402148 XPBOGRCADCITDF-QHCPKHFHSA-N 431.923 4.717 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2cccc(F)c2)C(=O)C1)c1ccc(C(F)(F)F)cc1 1469492541 UZLZZMHLCDDBST-FQEVSTJZSA-N 449.448 4.910 30 10 IJEE COc1ccc([C@H]2CN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CCN2)cc1 1470964894 IBJFWKNBRLGZNY-HSZRJFAPSA-N 429.545 4.505 30 10 IJEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 1475199175 CRMNVJFNJOHFPB-AWEZNQCLSA-N 440.340 4.688 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2ccc(Cl)c(OC)c2)cc1 1476041828 PKBXIQGLCXIORD-UHFFFAOYSA-N 427.932 4.527 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)C[C@@H](C)S1 1494235326 FQEJXCVILLPJDZ-OKILXGFUSA-N 430.002 4.910 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1507826781 BPBGEDKKMPEXJJ-IBGZPJMESA-N 439.785 4.942 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2CCC[C@H]21 1507838735 HHZBTQFBBIRCLT-HNAYVOBHSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCN(C)C2CCCCC2)CC1 1507905605 WORAJMYBLNFVFF-UHFFFAOYSA-N 437.632 4.567 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1507915842 ZURQRCGBJAZERX-VNTMZGSJSA-N 442.579 4.878 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507934722 GIMKSIGBATXCAG-RBUKOAKNSA-N 428.581 4.766 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1507951432 RLOPWIFKWYKCGI-UHFFFAOYSA-N 447.583 4.595 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)[C@H](C)C1)C(C)C 1508012351 CMRYJWAKFCMJDO-YZUZCNPQSA-N 436.648 4.829 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)cc(OC)c1OC 1521681862 IEGVIBJFCFFUCE-CJNGLKHVSA-N 425.369 4.778 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 1521849563 MONUMUWWISTNMU-UHFFFAOYSA-N 431.275 4.502 30 10 IJEE C=C(C)Cn1c(-c2ccco2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 1523884881 NMFYCQBBWPUDOL-FQEVSTJZSA-N 437.931 4.720 30 10 IJEE C#CC[C@@]1(C(=O)N(C)CCOc2ccccc2C(C)(C)C)CCCN1C(=O)OC(C)(C)C 1524659463 GBNRGEYDGREARF-SANMLTNESA-N 442.600 4.614 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)cc1 1526080355 XHDSYXRXLLBRKS-UHFFFAOYSA-N 441.487 4.576 30 10 IJEE N#Cc1cc(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)ccc1Oc1ccccc1 1529906781 IBRPNXIJHTVIQN-QFIPXVFZSA-N 427.460 4.873 30 10 IJEE C=CCn1c(SCC(=O)N2CCCc3c(C#N)cccc32)nnc1-c1ccc(Cl)cc1 1530979555 MZRQRWWYYMCBGV-UHFFFAOYSA-N 449.967 4.728 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(CC)(N3CCCCC3)CC2)CCCN1C(=O)OC(C)(C)C 1533717012 KSIRCHKWWRJJGN-RUZDIDTESA-N 433.637 4.589 30 10 IJEE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1-c1cccc(Cl)c1 1534303866 IFVCOXZWRKADNV-KRWDZBQOSA-N 445.972 4.962 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnc(OCc2ccccc2)cn1 1535432800 CHQZJNXJXFHPOS-UHFFFAOYSA-N 440.297 4.635 30 10 IJEE CC(=O)CCc1ccc(OCC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)cc1 1538059685 FIAASUAVVYZUIO-UHFFFAOYSA-N 429.476 4.593 30 10 IJEE C#CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@H]1CCCc2ccccc21 1538599332 FUEHSKFIEJFLQP-IBGZPJMESA-N 435.574 4.539 30 10 IJEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cccc(OCc2ccccc2C#N)c1 1538950249 GWGAABOTGBCULM-GOSISDBHSA-N 437.540 4.513 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(F)ccc1OC 1538984772 PPTPGPUXVYZQPL-INIZCTEOSA-N 438.572 4.929 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1539068182 OVARWJYEFODFNP-UHFFFAOYSA-N 427.552 4.551 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1539089016 DUIKNCMYTSXHGL-OAQYLSRUSA-N 448.596 4.667 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC=CCC1 1539391581 FLPVZFLULGZSMU-LJQANCHMSA-N 435.572 4.769 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)cc1F 1539570533 XKWARWVMSXHCCN-DRMXPCRNSA-N 428.527 4.515 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 1539881924 OTJIWLKZAKOFPK-UHFFFAOYSA-N 441.963 4.785 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 1539921262 TVKOZEFHZHLCCI-PXDATVDWSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(Cc2cccs2)CC1 1539967965 NPMMMBDFTCDMMH-UHFFFAOYSA-N 435.641 4.917 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539988834 GZNUIAYTHGYLGR-HXUWFJFHSA-N 425.968 4.615 30 10 IJEE C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CCC(C)(C)C)CC1 1540012838 XLXAHBOSTKODRE-UHFFFAOYSA-N 434.632 4.875 30 10 IJEE C=CCCOCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1540043049 VWQJJVQPHDHCAQ-UHFFFAOYSA-N 446.020 4.947 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1540119315 IJWSQWIPRKKOAU-BKMJKUGQSA-N 438.616 4.982 30 10 IJEE C#Cc1cccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 1540259918 FXQGECDZJDRGIZ-UHFFFAOYSA-N 446.572 4.696 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)C1 1543596617 HLASKWOEHDQOIS-HBMCJLEFSA-N 446.599 4.975 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2[C@@H]3Cc4c(Cl)cccc4[C@@H]32)s1 1544144308 CYXFSJVCJAIZGI-JEBQAFNWSA-N 425.406 4.947 30 10 IJEE CSC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1555858345 GSVXTMMRIBKGGD-IERDGZPVSA-N 429.565 4.583 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H](c1ccccc1)c1ncc[nH]1 1557127975 BWRAURQQDFEWTE-OXJNMPFZSA-N 426.442 4.891 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc1Cl 1559908704 AXTCCXQIGRUKGL-DEOSSOPVSA-N 437.971 4.749 30 10 IJEE CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1562673231 CHLMISZSNQLPMF-MSOLQXFVSA-N 436.512 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1588193533 HBHUXPYPJKPQFJ-QPPBQGQZSA-N 444.579 4.996 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCC1(F)F 1589223133 CZFKHKBNXQFLTD-KSFYIVLOSA-N 434.481 4.965 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1593763692 OTPVGHBAUWQAIV-GOSISDBHSA-N 432.996 4.976 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 1594544650 LUSWFSQCOMFIJZ-QHCPKHFHSA-N 435.616 4.599 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1594709062 HMQPOZJPYXNFNW-UHFFFAOYSA-N 435.597 4.552 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCCN(C(C)(C)C)CC2)nnc1C(C)(C)C)C(C)C 1595170853 KVQYUDFFQBRSLF-QFIPXVFZSA-N 444.712 4.585 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(F)c1 1595229673 VVOAQNXNIXAFTE-FQEVSTJZSA-N 441.551 4.716 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OCC)c(OCC)c1 1595598900 IQAXPMGGANEBSJ-NVXWUHKLSA-N 440.968 4.697 30 10 IJEE C#C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1ccc(Cl)cc1F 1597002261 HZDKVOMXSVCZQR-QGZVFWFLSA-N 432.680 4.532 30 10 IJEE CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1607686206 AUVAYAIRGQOTOE-UYAOXDASSA-N 429.515 4.503 30 10 IJEE C[C@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1612705650 CNPZWKOFDJFLDT-SMDDNHRTSA-N 429.368 4.719 30 10 IJEE CCSc1cc(Cn2c(-c3ccccc3OC)nnc2N2CCC[C@](C)(C#N)C2)ccn1 1617456200 CXKKGJVCIXFJNP-XMMPIXPASA-N 448.596 4.639 30 10 IJEE C=CCn1cc2ccc(NC(=O)CSc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2n1 1617513593 ZRLHOUJVYYRMBG-UHFFFAOYSA-N 436.415 4.880 30 10 IJEE C=CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1618169114 RBHPPJLNEQMFJR-UHFFFAOYSA-N 437.359 4.853 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 1618705249 GXDKEVUWQXYUGK-HXUWFJFHSA-N 434.392 4.885 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CC1 1622863610 ALTBWXMQTSVXGC-UHFFFAOYSA-N 447.470 4.791 30 10 IJEE C=C[C@@](C)(O)CC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1626808376 WHLPCUZTQOGGFA-HSZRJFAPSA-N 433.379 4.554 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccco1 1630060218 OIURGNKJIBRRAF-HKUYNNGSSA-N 434.920 4.530 30 10 IJEE C=CCC[C@@H](NC(=O)CSCC(=O)Nc1cccc(Br)c1)c1ccccc1 1631091139 VPKRBWATQPRKNZ-LJQANCHMSA-N 447.398 4.945 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1631299089 ZELPFXAVRICMQX-FNZWTVRRSA-N 444.575 4.812 30 10 IJEE C#CCN(C(=O)NC[C@H](C)Oc1ccc(Br)cc1)[C@@H]1CCCc2ccccc21 1632222914 ZIZXSKCADIDWHE-HTAPYJJXSA-N 441.369 4.939 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 1633423804 FEHJVEOHPKNPFM-PKTZIBPZSA-N 448.567 4.865 30 10 IJEE N#Cc1cccc(-c2cnc(CNC(=O)c3cc4cc(Br)ccc4s3)[nH]2)c1 1635916782 ADRNRDCMHCHTLQ-UHFFFAOYSA-N 437.322 4.856 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(CC)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)C1 1638392435 BZNPEZFAEKMMJG-SANMLTNESA-N 447.623 4.820 30 10 IJEE Cc1nc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2c(-c3ccccc3)csc2n1 1642547273 AQLNAYZVZSGQML-AEFFLSMTSA-N 435.553 4.838 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 1642712107 ZMXSPKONBYCNKI-QYZOEREBSA-N 440.943 4.675 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2C2CCC2)c1 1643326683 OXIQITZUSLSBCV-FCHUYYIVSA-N 444.984 4.640 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2c2ccccc2)cc1OC 1643979769 NESHBSQGYKRTAB-DKOVKCOZSA-N 449.547 4.626 30 10 IJEE Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1 1649399103 ASJSGOYSXBLWMB-SFHVURJKSA-N 436.581 4.816 30 10 IJEE Cn1cc(CNc2nc(-c3cc(Cl)cc(Cl)c3)no2)c(-c2ccc(C#N)cc2)n1 1651733489 DFXUFMZQQVSNMQ-UHFFFAOYSA-N 425.279 4.928 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 1654295722 NSGQXBKPDZPQIR-UHFFFAOYSA-N 428.381 4.685 30 10 IJEE C=CCn1c(S[C@H](CC(C)(C)C)C(=O)OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1655970261 RKUDVERWERAUMR-CZUORRHYSA-N 434.627 4.839 30 10 IJEE C=CCc1cc(CNCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc(OC)c1O 1656758979 JLICURTWBLXFQJ-UHFFFAOYSA-N 438.568 4.712 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1658618768 DDCNIVWLELBUAM-INIZCTEOSA-N 447.322 4.581 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CSc3ccc(Br)cc32)c1 1658958070 CCPVIFYFIPLMKG-ZDUSSCGKSA-N 440.269 4.891 30 10 IJEE C=C(C)CN(Cc1cc(Br)c(O)c(Br)c1)Cc1ccc(CO)o1 1659186829 GBEDLIWIETWQQM-UHFFFAOYSA-N 445.151 4.581 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2COc3cc(F)cc(F)c32)cc1OC 1662199309 TYMRWTKEWCBZNZ-HNNXBMFYSA-N 426.257 4.524 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC 1662574118 WDNUFZKPCBVLCV-XWIAVFTESA-N 425.367 4.975 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(-c2csc(C)n2)s1)c1ccc(Cl)cc1F 1663280011 PJVNWFMMIYMMRS-CQSZACIVSA-N 426.947 4.625 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C)c(Br)cc1C 1664429875 AHMLRCCDJUUIOS-FQEVSTJZSA-N 432.383 4.767 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1665391850 WLSWUDISTDYBIN-PMACEKPBSA-N 447.645 4.953 30 10 IJEE C#C[C@@H](CC)NC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1665561370 TXOGLHPFTAVAJZ-QFBILLFUSA-N 436.408 4.865 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c1 1669691829 XIGBZCVLNOQYBP-UHFFFAOYSA-N 440.450 4.927 30 10 IJEE CCCc1c(NC(=O)NC2CCC(N3CCC(C)CC3)CC2)cnn1-c1cccc(C#N)c1 1670886617 BGFNNMITIQTSPG-UHFFFAOYSA-N 448.615 4.861 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)cc(F)c1OC)c1ccccc1 1671199810 VQEJXKVKVNCZIR-QGZVFWFLSA-N 442.350 4.973 30 10 IJEE C=C(C)CN1CCC(NC(=O)N(C)Cc2ccccc2Oc2ccc(C)cc2OC)CC1 1677105571 LRJJJIKWJGGKJC-UHFFFAOYSA-N 437.584 4.978 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1680738740 PPLFOHJPWABPGW-UYBVGCJSSA-N 435.971 4.964 30 10 IJEE C#C[C@H](NC(=O)NC(C)(C)COc1ncccc1C(F)(F)F)c1ccc(Cl)cc1 1683675949 IZVZXWDFFRJZFT-INIZCTEOSA-N 425.838 4.585 30 10 IJEE C=CCCC1(CNC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CCCC1 1687039516 JPIOPJKKSCHTAI-SFHVURJKSA-N 434.378 4.528 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1689900556 JDJDJJYWJICPFT-UHFFFAOYSA-N 438.601 4.551 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(F)(F)F)C1 1689939801 CYGRGPBPQYVHLY-INIZCTEOSA-N 438.519 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1cccc(CN(CC)CC)c1 1690203015 NXLJRHXILSEUEW-HHHXNRCGSA-N 442.611 4.531 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCCSC 1690248142 KVLHPOQUWWADLI-GHTZIAJQSA-N 435.037 4.693 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nccc(C(F)F)n1 1690256644 QWQYCTGEULZKHO-HNNXBMFYSA-N 446.477 4.736 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1CCCC1CCOCC1 1690569926 POWGKJKHYUACHO-QFIPXVFZSA-N 442.579 4.711 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)N1CCc2ccccc2C1 1690594677 CQWSLFKSURADNG-RPWUZVMVSA-N 435.616 4.535 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1690633148 LSHOQBVASFDAHZ-PZJWPPBQSA-N 439.604 4.823 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CC(C)(C)C2)C1 1690685578 ADWQKERZENUCDS-UWJYYQICSA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(F)F)C1 1690737582 QHMZKZWDGWZKEX-KRWDZBQOSA-N 429.540 4.894 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705524439 LUDMODKSTAMKLP-SJLPKXTDSA-N 432.490 4.842 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)Cc1cccs1 1705574371 BULCYINIKVDNBA-OAQYLSRUSA-N 428.605 4.761 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1705620777 GEXBCCZJRVCFNL-FQRUVTKNSA-N 437.607 4.520 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)C1CCCC1 1705708217 ZOYAKGOGZVDIEY-WSWWRLHASA-N 430.637 4.947 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC1CC(F)C1 1705710646 ZCHAEFASIQUCIY-VEPLXINESA-N 442.579 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCC[C@@H](C)C1 1705720095 WXSNOFXMMUFBNH-LJQANCHMSA-N 432.012 4.645 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CC[C@H]1C2 1705790575 ABMHSUSHQUJSPH-UFYCRDLUSA-N 443.636 4.984 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCc1ccncc1)C1CC1 1705850290 ODAHNJWGARKCDK-UHFFFAOYSA-N 438.373 4.809 30 10 IJEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1705889862 IQJHZJCREVCUJD-KGLIPLIRSA-N 427.496 4.565 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC2CCCC2)CC1 1722311702 JIYSLGFZCNQKSP-UHFFFAOYSA-N 427.980 4.725 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1722336250 IYYINWIHJHHGNJ-NRFANRHFSA-N 438.572 4.669 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1722344270 VGEWYUBZIVQGKP-WMZHIEFXSA-N 431.584 4.712 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(Cl)nc1 1722466997 KBTNJFUZURLBPS-QMHKHESXSA-N 439.922 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@H](F)C1 1722468924 XYHJWGFEZLCZFU-VFCRVFHLSA-N 449.343 4.977 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1(OC)CCCCC1 1722473123 PLJPXHYAVPVACT-HSZRJFAPSA-N 426.992 4.864 30 10 IJEE C=C(C)COCCn1c(N(C)CCc2ccc(Br)cc2)nnc1C(C)(C)C 1722536449 OECPKLPEAIGLHH-UHFFFAOYSA-N 435.410 4.610 30 10 IJEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCCc2sccc2C1)c1ccccc1 1722539199 IROLOEQOKLPGDT-IBGZPJMESA-N 438.597 4.730 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722563142 UKMVEFIOKHSZLW-YCRPNKLZSA-N 449.368 4.554 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](CC)N2CCCC2)CC1 1722579014 GJZXNGBTCYZWCI-HSZRJFAPSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2cc(OC)c(C)cc2C1 1722589344 PRGBLCNOIMCUHL-UHFFFAOYSA-N 448.615 4.622 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722603144 OYVYCPGYCPZDSD-OAQYLSRUSA-N 425.483 4.553 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H](CC)N1CCCC1 1722642563 HQHRAZDKXCQYKY-QGZVFWFLSA-N 438.403 4.661 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1snnc1C 1722662530 IXORCYIXZFTZDK-UHFFFAOYSA-N 426.546 4.547 30 10 IJEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(CC)C1CCCCC1 1722688842 MRYHADPFSLDHDO-KRWDZBQOSA-N 445.995 4.533 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](SC)C(C)(C)C 1740631188 ILTXTMSFOXGEPP-XLIONFOSSA-N 445.032 4.922 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@](C)(O)c1cc(C)oc1C 1740729123 AIOTXCXFGNNHIZ-RPWUZVMVSA-N 438.959 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)CCC(C)C 1740733363 KLBRQMKFBIHHLG-CLJLJLNGSA-N 433.600 4.530 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN(C)C1CCCCC1 1740768922 CVXOKLCAERIXHO-UHFFFAOYSA-N 426.565 4.520 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cc(C)cs1 1740782712 ZJJZIYYTRABOAH-UHFFFAOYSA-N 445.633 4.975 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(C)Cc1scnc1C 1740801492 AZCKCRZTPUFGBP-INIZCTEOSA-N 447.992 4.971 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(CC)C2CC2)CC1 1740834873 ACDPTSFCKHYCAF-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1740839131 BEEHMHBXIDDXDR-RDGATRHJSA-N 438.616 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCC2)CC1 1740844556 LZYXUHUSSOJVHV-UHFFFAOYSA-N 445.558 4.823 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCC(COC)CC1 1740860097 XYKHWAVZXFSBJE-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740867157 ZQBHNEWHGJHNHO-QGFMHUBQSA-N 449.665 4.735 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1740869143 CAGPLLYBGNCZAD-IBGZPJMESA-N 432.597 4.728 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCc2sccc2C1 1740944072 SVEOPEKWMFUDDS-UHFFFAOYSA-N 445.386 4.917 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1740944916 QSTCRPZODVJZSA-SFHVURJKSA-N 431.968 4.620 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCCCC1 1748639727 LIRRDDFCXNHSCB-IRLDBZIGSA-N 437.632 4.757 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC[C@H]1CCCCO1 1748659414 HBPGQXQVCAMSKV-DLBZAZTESA-N 431.378 4.515 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CCC[C@H]2CC)c1 1748694317 DUVLFDONSLFBBC-DHIUTWEWSA-N 447.627 4.893 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(OC)CCCC1 1748773328 WSFYSCOBLFGXNO-SFHVURJKSA-N 430.980 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CC=CCC1 1749132648 BMEXDODVWXWNMA-JXQFQVJHSA-N 442.554 4.921 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(O)CCC2)CC1 1749286254 GNLRHVKSLOGYIB-GOSISDBHSA-N 430.980 4.760 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(OCC)CCCC2)CC1 1749293881 HZIFNHVVHKDYDS-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H](CC)N2CCCC2)CC1 1749347095 ITYITYFIRCSEKS-QHCPKHFHSA-N 437.632 4.696 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749391483 PPOAKRWYVJRMBA-NNMXDRDESA-N 428.552 4.919 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H](C1CCCCC1)N(C)C 1749537296 FANDSLORWFKZIP-DNQXCXABSA-N 437.632 4.833 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCN(CC)C1 1749561883 ZWDDXKUZEGYZHD-HSZRJFAPSA-N 444.627 4.873 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1C 1749687049 JOBFHAZKVDKRON-HNNXBMFYSA-N 442.361 4.638 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCCCN2CCC)C1 1749699621 BXDKSQFBAJRIQH-DNQXCXABSA-N 437.632 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCSC1 1760122310 JDZVIFCGQLEDOG-OALUTQOASA-N 426.630 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCc1ccc(OCC)c(OCC)c1 1760291332 KWDUYNBRKGJRPX-AREMUKBSSA-N 448.567 4.879 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC1CC(F)C1 1760310929 OZQUMFFPRPPNLO-UHFFFAOYSA-N 437.357 4.567 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)F)C1 1760354223 SHFWGTAGHBKIOU-CQSZACIVSA-N 428.886 4.812 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN(C)C(C)C)CC1 1760392308 LSNWNIDJTCYSJC-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760409395 SRDOMTSWCCMVLY-IBGZPJMESA-N 429.996 4.696 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1760479407 NRHXWQXLDFYCGJ-OYRHEFFESA-N 432.616 4.588 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCCC1 1760482860 UGQZIQHBVHMFGK-UHFFFAOYSA-N 437.632 4.852 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)CC 1760498228 JTSOMAQVKHMEBA-AREMUKBSSA-N 445.567 4.791 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)cc1 1760500865 BSIFMCBJFYKJNK-IBGZPJMESA-N 426.948 4.702 30 10 IJEE CCSc1cc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@](C)(C#N)C2)ccn1 1766768724 FDKLXXTXPWNAJF-XMMPIXPASA-N 432.597 4.939 30 10 IJEE COc1ccc(/C=C2/SC(=NN=Cc3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 1772758501 XGJNGTPKYBOXIP-PFZYSIKNSA-N 435.480 4.934 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)c1 1860705764 HEJAHXHQUWAYAW-UHFFFAOYSA-N 440.499 4.806 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862436592 XKCURYFXEQOIAY-IBGZPJMESA-N 428.872 4.873 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccc2)cc1O 1862448180 HTNJALXPSJTENR-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C(=O)OC)cc1 1862449558 NXIOPTHRRCYOHM-ORAYPTAESA-N 427.884 4.503 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCC4(CC3)OCCO4)[C@H]2c2ccccc2)c1 1862486499 FLICSGPELXEMDZ-QHCPKHFHSA-N 447.531 4.567 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC)cc1OC 1862513182 QPCNNZWUQMVDDV-QFIPXVFZSA-N 441.499 4.920 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1C(=O)O 1862519554 MYPVBETUGDCILX-NRFANRHFSA-N 437.492 4.552 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cccc(Br)c2)cc1 1862522608 MRBWTMSDNJEMMX-IBGZPJMESA-N 444.325 4.836 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)cc1 1862546803 GFOFGZFDTGPJHW-QHCPKHFHSA-N 445.515 4.785 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862554600 GQLASAUVPBWHIP-DEOSSOPVSA-N 426.516 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590632 MHKPPEWWEVWVKS-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc2ccccc12 1862593875 YWZMNQJFCQBUEU-HSZRJFAPSA-N 431.488 4.549 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(O)c(OCC)c1 1862623148 RESHZMMWRBDUED-JOCHJYFZSA-N 435.520 4.853 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 1862674632 ZSCQLXKKMJOLLB-JOCHJYFZSA-N 442.506 4.665 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(N(C)C)cc2)cc1 1862690761 DIVDNHKICTWNEN-YJGRUCBDSA-N 448.563 4.918 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3c(c2)CCCN3C)c1 1862708416 UTZJGZOMBXJTQU-DEOSSOPVSA-N 446.547 4.599 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(C)cc2)C1=O 1863621888 WICNGRWHXCFBMG-UHFFFAOYSA-N 439.644 4.901 30 10 IJEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2ccccc2Cl)C1=O 1863777609 KABYIGSUWZPUEL-UHFFFAOYSA-N 428.919 4.985 30 10 IJEE Cc1cc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(C(C)(C)C)cc2)cc(C)c1Cl 1870144674 KPMRRNOPPHMKPM-UHFFFAOYSA-N 437.931 4.724 30 10 IJEE C=CCn1cc(OCc2ccc(CC)cc2)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870889724 BFQQNXFELYLPJM-UHFFFAOYSA-N 449.507 4.705 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(C)ccc1C 1871250874 AVRHGGSTJNWHGE-UHFFFAOYSA-N 445.563 4.955 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)cc1OC 1871371841 MCODOABEYPLZPG-FMCGGJTJSA-N 448.446 4.916 30 10 IJEE Cc1c(OCC(=O)Nc2sc3c(c2C#N)CCC3)ccc2c1O/C(=C\c1ccco1)C2=O 1871461326 HJPXNXWCNSZPEP-GRSHGNNSSA-N 446.484 4.644 30 10 IJEE C=CCN=c1nc(Nc2ccc(OCc3ccccc3)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871636184 VDSWDQZUEVDWSY-BGYRXZFFSA-N 444.583 4.696 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 1871942760 NFQCGDGVWQBNOF-IBGZPJMESA-N 441.380 4.978 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)CC 1872016613 SUVUQLPTGQFALH-QFIPXVFZSA-N 428.598 4.892 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872149488 DHRBSUIIQATAQP-AUSIDOKSSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1872157272 GYOPDOOTEKOVTG-XMSQKQJNSA-N 429.586 4.621 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1873310027 XLTRSFCNERLHCO-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(NCc3ccccc3F)ncnc21 1873637342 UZBSRMPECVLJTM-UHFFFAOYSA-N 444.514 4.687 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CCOc1ccccc1 1873685204 BQKIODVUWHVGHP-UHFFFAOYSA-N 438.549 4.531 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccc[nH]2)cc1OC 1874239062 YHULSKSOKKYTQD-CVKSISIWSA-N 447.564 4.697 30 10 IJEE COCCc1nnc(SCCc2ccccc2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874472487 HWWCAAVNNLDYHP-MFKUBSTISA-N 434.487 4.703 30 10 IJEE CCCOc1c(/C=N/n2c(COC)nnc2SCc2ccc(F)cc2)cccc1OC 1874500542 SQNJESJTGGFOTF-ZMOGYAJESA-N 444.532 4.536 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)Nc1nccs1 1874576734 DCSWWZWYHVIKEM-SOFGYWHQSA-N 428.897 4.719 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1Br 1874612043 ZCHLKAJLMWBGQN-XVNBXDOJSA-N 439.252 4.955 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)c1 1874630507 FYHCCYNQRBWLQR-VQHVLOKHSA-N 448.899 4.594 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1874698612 FWHODGDHQMHQCY-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1C 1875107981 SFYWSRMSCPGNMM-IEJURRBGSA-N 430.884 4.646 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C(C)C)c(Br)c2)c(OC)c1 1875178569 QLKURIIOXPDTDN-WEVVVXLNSA-N 433.298 4.924 30 10 IJEE CC(C)(CNC(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1)c1ccccc1 1890532078 FSERUDGZEOLMPU-UHFFFAOYSA-N 434.565 4.585 30 10 IJEE C[C@@H](C(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1)c1ccc(-c2ccccc2)c(F)c1 1891225268 WLYNCOIDKQPLSL-LJQANCHMSA-N 442.538 4.990 30 10 IJEE N#Cc1ccc(C[C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951639267 XYCCORBFEINJTP-FQEVSTJZSA-N 440.499 4.873 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCC(C)(C)C[C@H]1CNC(=O)OC(C)(C)C 2020337543 XZNBTRONGHAUKX-OALUTQOASA-N 439.641 4.767 30 10 IJEE C#CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)C1CCCCC1 2059471816 DMAOUZDDSQZNTP-NFBKMPQASA-N 442.600 4.670 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2066142170 PPHCRQFQKBSSSX-FCHUYYIVSA-N 448.568 4.997 30 10 IJEE Cc1ccc(I)cc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2094849178 MBCPRWGHDNKPBV-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNc1cc(Br)c(C#N)cc1F)CC(F)(F)F 2117338544 MYQCLAOUCYYTDV-SNVBAGLBSA-N 440.235 4.717 30 10 IJEE Cc1cccc(C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)c1NC(=O)OC(C)(C)C 2132690586 YPTQGRCLEOQWPC-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CNc1cc(Br)c(C#N)cc1F 2139868399 SAOYPPGSDLSPED-MRXNPFEDSA-N 426.330 4.907 30 10 IJEE N#Cc1ccc(N[C@@H]2COC3(CCN(C(=O)OCc4ccccc4)CC3)C2)cc1Cl 2162287908 KYMZGMKQZIGKIV-FQEVSTJZSA-N 425.916 4.584 30 10 IJEE CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)c(Br)c1F 2174813539 XNXKVNCLAKYPCP-AWEZNQCLSA-N 440.357 4.933 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@H]2CCCC[C@H]21 2174813942 BMTHQDDENYNRLS-LSDHHAIUSA-N 438.341 4.828 30 10 IJEE CCN[C@H](C#Cc1ccc(Cl)cc1)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216973091 MPBWDXJIMYBNGC-DHIUTWEWSA-N 442.987 4.780 30 10 IJEE N#Cc1cc(Cl)nc(Nc2ccc(Br)cc2I)c1 2223659809 WGEBAMOVSYFWKV-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2235716125 DQGSWASQMHRQBL-HKUYNNGSSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F 2235727373 QILGIWMQYLXTKU-ZBFHGGJFSA-N 449.311 4.577 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2235735625 UKLAGVSGTUZFOH-LEAZDLGRSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@@]2(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 2241829794 FQNOAYHEWWOTFW-NHKMSHSESA-N 427.545 4.573 30 10 IJEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)Cc1ccco1 2267229161 UTSFOZJICQPGFH-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE O[C@H](C#Cc1ccccc1Cl)c1cc(I)ccc1Br 2277849616 MZGBNJRTGNPWJV-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)cc1)c1ccc(Br)c(F)c1 2287188076 YBZIYVOVLWRPQR-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@H](N)C#CC1CCCCC1 2289692250 HAFAYZOUTXANLY-WOJBJXKFSA-N 435.406 4.796 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 2295987694 RYWHKTYMJLACQR-XMMPIXPASA-N 442.515 4.836 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]12CC[C@@H](CN1C(=O)OC(C)(C)C)C2 2296292213 WIGQDSYEGIZQSS-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C1CC(CNC(=O)OC(C)(C)C)C1 2296293813 NJWPYFORFBCLAD-AFMYVXGZSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@@]1(C)CCN1C(=O)OC(C)(C)C 2296306603 JHSJCVYPQZPGOD-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE Cc1ccccc1C(=O)N1CCN(c2oc(C=Cc3ccccc3Cl)nc2C#N)CC1 2297368233 DWXMMBAQCYLTDT-UHFFFAOYSA-N 432.911 4.641 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1 2314437935 BDUINCPOTXPKBT-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc(OC)c1O 2320856545 LGIARUNJEUZZTP-UHFFFAOYSA-N 438.553 4.670 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3CN(Cc3ccco3)CO4)C1=O)cn2C 2321962568 PDPTZJSLEANXCO-UHFFFAOYSA-N 442.471 4.748 30 10 IJEE COc1ccccc1C=Nn1c(S)nnc1CCCOc1ccc(Cl)cc1Cl 2322286640 ZBWYFAVCKBSGOP-UHFFFAOYSA-N 437.352 4.776 30 10 IJEE C=CCOc1c(C=CC(=O)c2ccc(OC)cc2OC)cc(Br)cc1OC 2322906352 FVDIARBJUPRUQX-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE Cc1cc(O)c(CN2CCC3(CC2)OCCO3)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2 2324171754 KEKIJCXIGXQDTK-UHFFFAOYSA-N 449.547 4.779 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3ccccc3)C4=O)CC2)c1C 2324183335 SLFBRXQUXRQXAO-UHFFFAOYSA-N 440.543 4.947 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c(OC)c1 2324400455 FBBQVGZGOHZXDS-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c(OC)c1 2324628335 ZBGXCOCPLMVGCO-QGZVFWFLSA-N 438.480 4.865 30 10 IJEE CCn1cc(C=C2Oc3cc(O[C@@H](C)C(=O)OCCOC)cc(C)c3C2=O)c2ccccc21 2325336015 LNZJKTUCTOIHBC-KRWDZBQOSA-N 449.503 4.543 30 10 IJEE COc1cc(C=C2Oc3cc(OCc4ccccc4C#N)ccc3C2=O)cc(OC)c1OC 2325351674 YQVOILCPOHBKGK-UHFFFAOYSA-N 443.455 4.779 30 10 IJEE CCCOC(=O)c1cccc(NC(=O)C(=O)C=Cc2ccc(OCCC)c(OCC)c2)c1 2325649038 RMHWHYVKYATACB-UHFFFAOYSA-N 439.508 4.662 30 10 IJEE C=CCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc(OCC)c1 2326684131 CLQPKVXSTUOXEO-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2328789325 PNYGHXYZJRNNRB-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE CCCCCCCCCOc1ccc(C=NN=c2[nH]c3ccccc3[nH]c2=O)cc1OC 2328813950 CBSKOPSTNZMBIQ-UHFFFAOYSA-N 436.556 4.929 30 10 IJEE Oc1cccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)c1 2329919442 LLJDATAKLSBUCQ-UHFFFAOYSA-N 430.533 4.780 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(O)cc1 2330651245 WWOFEVDGTAILJT-UHFFFAOYSA-N 443.532 4.572 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccncc1 2331030702 DHFPFCBPUIZJMN-UHFFFAOYSA-N 434.569 4.506 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2N=Cc2cccc(F)c2)nc2ccccc12 2331085447 NIYYJKXPDQDPCH-UHFFFAOYSA-N 448.527 4.898 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc([N+](=O)[O-])cc1 2331594885 NICJLRWTGSSAGO-UHFFFAOYSA-N 433.493 4.660 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339578832 MXFPQFASDYWTBI-JKIKYLSZSA-N 444.381 4.798 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n[nH]1)c1cccs1 21082959 ASFGUEDJOIRHNP-YDZHTSKRSA-N 428.587 4.731 30 10 IJEE CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 102406899 FRDFHYOUYKZOOQ-OCDBCJEZSA-N 441.862 4.949 30 10 IJEE COc1cccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 103094687 PXMCXTWXNGPDTL-LCPUNJGISA-N 446.484 4.833 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccc1OC 169946438 QDXHPGXKDDTKBB-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2cccc(C)c2)c1 169970550 JARVZSQVDLCFGS-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OC(C)C)cc1 169977781 IEQZNPWARWKWDC-QHCPKHFHSA-N 448.519 4.570 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc(F)cc1 169989506 XHUWGNPMSHVKFZ-HXUWFJFHSA-N 425.456 4.847 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1 170076749 MVYNVFSLDBMROR-QHCPKHFHSA-N 442.471 4.938 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1C1CCCC1 170126170 UEZMUUIHSQOGDE-CMJOXMDJSA-N 433.504 4.540 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 170130292 RRIZRDHJCHDYBB-LJQANCHMSA-N 425.893 4.886 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 170130332 IXIPTTLMCCVUSM-LJQANCHMSA-N 425.893 4.886 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC(C)C)cc1 170151985 BFJYBFNTHXFGEB-OAQYLSRUSA-N 438.480 4.760 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)C)c(OC)cc2C)[C@H]1c1cccs1 170164142 VQLVXRSYQNWMKY-OAQYLSRUSA-N 443.565 4.803 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2cccnc2)c(C)c1 170187297 SWKLBDFWBIGZFR-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170208441 BCLKTVPZYSIUGG-IBGZPJMESA-N 440.286 4.562 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)cc1 170224644 FUHFZJUNCWTHPM-HSZRJFAPSA-N 429.472 4.964 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1 170231094 VSUYDTFBOHXPIT-NRFANRHFSA-N 448.906 4.831 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)ccc1Cl 170233480 HPMRMTRKVFMPGL-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311084 NJXHUQPQGWNMDX-JOCHJYFZSA-N 430.435 4.987 30 10 IJEE COCc1cc(C)nc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)c1C#N 251063612 HXRXPKCQHQAZFS-UHFFFAOYSA-N 425.286 4.877 30 10 IJEE O=C(N=C1N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccccc1Br 254379940 ZFOYUVZTOGUROW-UHFFFAOYSA-N 426.701 4.900 30 10 IJEE Cc1cccc(CN2C(=O)C(=NNC(=S)Nc3ccc(C)c(C)c3)c3ccccc32)c1 254448582 NLIGGJFFZNPBHQ-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE Cc1ccc(NC(=O)C=NOCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 254865214 AAIPFKMXDZMFLC-UHFFFAOYSA-N 447.335 4.612 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1OC)NCCC 406699905 JUISLPYIRUWWHA-MSOLQXFVSA-N 441.410 4.838 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC2(CCOCC2)[C@H]1C 460373242 DIZMDSIBXCJIIV-GOSISDBHSA-N 428.602 4.551 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 475580548 YWBCZXLNMRZVAG-UHFFFAOYSA-N 443.613 4.795 30 10 IJEE COC(=O)C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(C(F)(F)F)cc1 477538911 FUBCKYWNTKJVEF-INIZCTEOSA-N 425.794 4.656 30 10 IJEE N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1cccc(Br)c1 496308190 VSBDJSLQYCZNLT-XHSDSOJGSA-N 439.231 4.832 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 504289214 KUZPEJNPSDAHLL-UHFFFAOYSA-N 426.563 4.598 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCCC[C@@H](CCOC)C1 515019284 OQFFLLQFJYYNMH-INIZCTEOSA-N 449.393 4.545 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccnc2)c1OC 526608519 FZPQMNWKMFNOPR-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1c(F)cccc1Cl 526826767 HDXDABKDUJUMCV-MSXFZWOLSA-N 446.935 4.984 30 10 IJEE CCc1ccc(OCc2nnc(Sc3nc(C)cc(C#N)n3)n2Cc2ccccc2)cc1 553245390 VEGNZEBICIMRRF-UHFFFAOYSA-N 442.548 4.589 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 559010879 POTPYXVLPUWQFI-UHFFFAOYSA-N 429.568 4.513 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 576721241 WBNAHNBDTUAOKK-LJQANCHMSA-N 427.936 4.575 30 10 IJEE CCCN[C@@H](CC#CC(C)(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693698921 UWTYVSLASLGFLC-HOFKKMOUSA-N 441.660 4.964 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708539475 IZVPZHGDZGUPTD-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C 733196861 JVDJSNIXOCWMAZ-JOCHJYFZSA-N 449.576 4.767 30 10 IJEE Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1C#N 741369260 OSDRJLVSGGWXQY-ZWKOTPCHSA-N 441.409 4.798 30 10 IJEE N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741431504 QURMFQVDPQQEPU-MJBXVCDLSA-N 440.780 4.829 30 10 IJEE N#C[C@@H]1CN(C(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)CCN1C1CC1 746249277 ZNCQWZKGSNRKIF-JOCHJYFZSA-N 435.527 4.746 30 10 IJEE C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 787055308 ZYQZPNJZYIDRLJ-QSNCDBEISA-N 446.290 4.891 30 10 IJEE C#CCOc1ccccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 788535005 VLYAHZPKWQWSJG-SFHVURJKSA-N 443.931 4.650 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(C(=O)c3cccs3)CC2)CCCN1C(=O)OC(C)(C)C 1116761506 GATDIZCMDQZSAE-QHCPKHFHSA-N 432.586 4.515 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 1125630026 NOKJILCORFBUGI-UHFFFAOYSA-N 449.304 4.857 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCCCC1 1127511841 CVSJGHMSQNQAPD-UHFFFAOYSA-N 443.935 4.563 30 10 IJEE C#CCOc1ccc(CNC(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)cc1 1129126486 ABTOFRVBWPRCGE-FQEVSTJZSA-N 428.370 4.982 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)s1)c1ccc(Br)cc1 1129730438 HWOOZDNHXKKPBL-MRXNPFEDSA-N 434.746 4.513 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1132306241 HFZQWACVUFMXTD-LVXARBLLSA-N 439.559 4.635 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)cc1 1136097198 FAVBVZPQNBDRSE-UHFFFAOYSA-N 427.219 4.601 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)C[C@H](C)C#N 1136270922 KCEFDEQVGYPVRB-KBMIEXCESA-N 445.563 4.868 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Cn1c(C)c(Br)c2ccccc21)C(C)C 1136650281 VZXCILBKXLJRRB-FQEVSTJZSA-N 432.406 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC[C@H](F)C1 1286282356 PFFZTXCTOOYSPA-YDHLFZDLSA-N 439.760 4.957 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCO[C@H]1CCCC[C@H]1C 1286433815 LYIYYNGOKRAKHM-NOZRDPDXSA-N 448.611 4.532 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1Cc1ccnc(SC)c1 1286456858 XZOJKZSXDMHADM-UHFFFAOYSA-N 435.572 4.880 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(Cc1ccco1)C(C)C 1286557173 HEYBFZGOYSRPRH-HYBUGGRVSA-N 438.547 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1SC 1286749745 YLDOCUCLAZZWRM-INIZCTEOSA-N 444.601 4.945 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](CCOC)C1 1286826247 BSDXRBGSVYKZQX-ZWKOTPCHSA-N 446.686 4.913 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC#N)CC1 1291386893 DKJBHZXXOTXVNP-HJPURHCSSA-N 445.995 4.534 30 10 IJEE CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)N1CCCC1 1292222619 FCJZTVAMZWBCCN-DEOSSOPVSA-N 446.643 4.906 30 10 IJEE C#C[C@@H](NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C 1297150401 MJAYEYAKGMBWRS-FQRUVTKNSA-N 444.575 4.812 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1noc2c1CCCC2 1300325078 SCIXUVWVFKNDSN-OAHLLOKOSA-N 441.988 4.597 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2ccccc2C)nnc1[C@]1(OC(C)C)CCOC1 1300376014 DUSRQNAXFPPVNK-BVAGGSTKSA-N 436.600 4.772 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300392315 ROYKILQDPPHYCU-IBGZPJMESA-N 443.382 4.913 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCOC[C@@H]1C 1300569173 DUXQLDKQWUVGGV-UPVQGACJSA-N 448.611 4.506 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1c(C)noc1C 1300879732 FHBRANXXQDWJSQ-UTKZUKDTSA-N 441.963 4.821 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)cc2OC)CC1 1301075630 LUQPHBFIJWOAGI-UHFFFAOYSA-N 430.339 4.860 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCO[C@@H](C)c2ccccc2)CC1 1301129399 QRIUBGUUHRVDOY-NRFANRHFSA-N 431.584 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1301145821 IABOOTPDPFDREV-UHFFFAOYSA-N 435.572 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCCC2)CC1 1301154011 IVRFZCQSDTYFDZ-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1301154260 NRDMKSXSLWYKJE-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2ccccc2)C1 1301194988 SZEHIKOHFNMJNE-HXUWFJFHSA-N 435.597 4.620 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1CCc1c(C)noc1C 1301337946 OKMCZLPEHKUBDE-UHFFFAOYSA-N 435.572 4.984 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCCCC1 1301346582 FVYAZZWHWYTTOB-JOCHJYFZSA-N 444.627 4.963 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)OC 1301349042 DDWZYJYGNIRRHI-YPAWHYETSA-N 426.605 4.814 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CCN1CC=CCC1 1301406881 XGBVKWKEHNCMDM-UHFFFAOYSA-N 437.975 4.689 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1ccc(F)cc1 1301452911 XKBWCUOOIAJCLL-LJQANCHMSA-N 443.567 4.744 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC(C)(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307237548 DFIOHURTHUYUES-RDTXWAMCSA-N 447.670 4.800 30 10 IJEE C#C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)c1ccc(Cl)cc1 1309559124 SACVXKBSRHFYIP-HNNXBMFYSA-N 433.154 4.550 30 10 IJEE CN(C)C(=O)O[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 1310171464 HXUGDEJRTPEILH-GOSISDBHSA-N 442.903 4.698 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 1310211249 CRJLSYIWZWDNIG-GOSISDBHSA-N 428.330 4.958 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CCn3ccnc3)Cc3cccc(Cl)c3)cc2n1 1311237113 ADMKHPZHXQILDM-UHFFFAOYSA-N 434.931 4.807 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(I)c(Cl)c1 1311260791 CMQFFFYKSSWBHS-UHFFFAOYSA-N 426.641 4.601 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 1311690378 GVQRFBKVFMXCJW-DHLKQENFSA-N 449.595 4.989 30 10 IJEE CO[C@](C)(Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CC#N)C1CC1 1315142499 DUNPOUFZMDHMBC-VBURHUQHSA-N 427.618 4.685 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCO[C@H]1CCCC[C@@H]1C 1315603408 DDEGVPYFDNLPLM-QYXIYQDXSA-N 437.588 4.679 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(Br)ncc1Br 1353009013 SPQMDWWMXLVHNF-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3cccc(OC)c3)cn2)ccc1OC 1353363859 DTSNINSURMFGNP-SFHVURJKSA-N 447.491 4.502 30 10 IJEE CC[C@@H]1[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1C(=O)OC(C)(C)C 1355839819 GJZLBLJNTLKVLP-VQTJNVASSA-N 436.512 4.720 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](c1cccnc1)C(C)C 1358887596 ZPKQCHXPXYFTES-DENIHFKCSA-N 440.551 4.893 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCSC[C@H]1C 1358916597 QMBNWMMNFKTHLD-OAHLLOKOSA-N 439.412 4.909 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1359152043 KXHYNSOSXLTDAA-RTBURBONSA-N 436.934 4.684 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1359192487 GWEGKRLVKVIYJV-LJQANCHMSA-N 428.577 4.694 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1359220475 AJBCWTRGAPRAPF-LJQANCHMSA-N 432.037 4.865 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@@H](CC)NC(=O)OC(C)(C)C)C1CC1 1359249107 OMXMMAIINNQMQH-MRXNPFEDSA-N 429.540 4.542 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1cccc(Cl)c1 1359277285 HNHUMJPMBNZBJX-IBGZPJMESA-N 426.948 4.702 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(OC(C)(C)C)CC2)cc1 1359307200 DMOCTJUYCPTIEA-UHFFFAOYSA-N 447.583 4.737 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2oc(CCC)nc2C)C1 1359314995 MGGSRXUEBNTWTO-LJQANCHMSA-N 441.963 4.677 30 10 IJEE Cc1cc(Br)c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1Br 1436117784 HCUQUKBATVGYJC-KRWDZBQOSA-N 434.131 4.809 30 10 IJEE CC(=O)N[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2)c1ccc(F)cc1F 1436522130 BQJZAAFRPDNGKL-XOBRGWDASA-N 445.535 4.865 30 10 IJEE C=CCN(C(=O)/C=C\c1cnc(C(C)(C)C)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1459003610 YVNRZNNUQMEWJT-ODLZTCLXSA-N 426.582 4.643 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CCCN1C(=O)OC(C)(C)C 1464143613 WZLSGZRISBHCOZ-AUSIDOKSSA-N 435.634 4.593 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1ccc(Br)c(I)c1 1465528971 CRSQKUAXSWPQEX-UHFFFAOYSA-N 437.119 4.920 30 10 IJEE C#CCN(C(=O)N[C@@H](C1CCCCC1)C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1470612674 PNJFIWLZQYCBIR-QFIPXVFZSA-N 431.621 4.780 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3ccccc3)[C@@H]2C)n(Cc2ccccc2)c1C 1473212078 DFLQWCRGWVJQSG-XUZZJYLKSA-N 426.564 4.841 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1C 1477118709 UICPFHCUJWEWIH-UHFFFAOYSA-N 449.267 4.585 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 1477916046 RRDDNXSVGOZYEL-UHFFFAOYSA-N 432.442 4.518 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)c1ccccc1 1479190672 LWDXAZOZFKHFLA-QFIPXVFZSA-N 425.960 4.791 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)C1 1497677051 FBPOYLSFSYQEIA-VWLOTQADSA-N 447.583 4.951 30 10 IJEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 1504479833 BICQXVIZBMIXCT-IPMKNSEASA-N 433.478 4.726 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@](C)(C#N)C1 1507557673 MYKCPPHYMVQKSE-OAQYLSRUSA-N 426.362 4.641 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccccc1C(F)(F)F 1507589797 OSGBCQPHAQMLIL-UHFFFAOYSA-N 433.503 4.702 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2sccc2C1 1507747251 BRGPAAVWAANAET-UHFFFAOYSA-N 445.013 4.598 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccccc1F 1507786796 DFPDZOCFIJRSGH-OAHLLOKOSA-N 430.325 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CC(F)C1 1507793308 CYFWPSUUTDUDLW-FGFUGZQNSA-N 436.934 4.903 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2cc3ccccc3[nH]2)CC1 1507821908 RERFTBIXTBUVNE-UHFFFAOYSA-N 434.588 4.638 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1507838002 YVFKTFLHNVICGO-ZWKOTPCHSA-N 448.995 4.668 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCCC2(CC2)C1 1507838473 RMLLHMRQHJQPDJ-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 1507937964 VGYFDPRWVFDFAI-YADARESESA-N 442.608 4.836 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(Cl)c1 1507985767 CKAGIGKXQHKCTK-SFHVURJKSA-N 431.968 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCN1CCCC[C@@H]1CC 1508013090 KUOJXSIGIPEJBN-QFIPXVFZSA-N 430.600 4.936 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)c2c(C)noc2C)C1 1508113275 WJDUQWYJPWHMDO-QAPCUYQASA-N 441.963 4.788 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1510498715 BNWXNCITDCTLET-MRXNPFEDSA-N 434.594 4.931 30 10 IJEE Cc1csc([C@@H](C)Cn2c(Cn3ccc4ccccc43)nnc2N(C)[C@H](C)CC#N)n1 1511452898 HTJJHTFJGMDBNC-FUHWJXTLSA-N 433.585 4.588 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCC[C@H]1CC 1513040270 BPTJMLFEIJKAPT-ZTCOLXNVSA-N 434.632 4.812 30 10 IJEE C=CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1516156540 QBUWVMZPCPKUOB-IBGZPJMESA-N 438.549 4.823 30 10 IJEE CCCc1c(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)cnn1-c1cccc(C)c1 1519543338 GNUOVGZUABXZHA-UHFFFAOYSA-N 431.496 4.826 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)cc1 1523871725 WIIJKEBFMFGNEL-OAQYLSRUSA-N 434.536 4.613 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 1525853118 YDEWTVXZKWZYKO-PIGZYNQJSA-N 427.762 4.844 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 1527788401 ZTJAFRUSESWQCA-UHFFFAOYSA-N 425.337 4.534 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3ccc(F)c(Cl)c32)nnc1-c1ccco1 1530376765 BHBRAQPAHHHORF-UHFFFAOYSA-N 446.935 4.978 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c21 1532491305 LSIOCQDRRBDSDC-UHFFFAOYSA-N 429.442 4.588 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCC2CC=CC2)c1 1537735589 MDPQJPGWPDRWJE-UHFFFAOYSA-N 444.984 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1539030381 QZGWLJMQUVGLAT-XLAORIBOSA-N 443.389 4.514 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(COC)CCCCC1 1539162012 RJJXVIVLBOOCIU-UHFFFAOYSA-N 448.567 4.783 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(C)(F)F)cc1 1539682173 PJKNDUOTCKOUMD-ICSRJNTNSA-N 434.531 4.565 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1539733799 PLIAIIUQCWHKSJ-VQTJNVASSA-N 430.618 4.795 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2cc(C)nn2C)CC1 1539878077 QUERYEMQAWCFBZ-UHFFFAOYSA-N 431.371 4.745 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1539891939 OHJMFJBKLHLGMY-JOCHJYFZSA-N 439.604 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539910088 DUAJMERMSDQFLR-IBGZPJMESA-N 439.604 4.959 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@H]1CC 1539948029 SFEYKOPQYXXFQA-FXAWDEMLSA-N 429.996 4.843 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1539952983 CRENXZMTJMEGRS-UHFFFAOYSA-N 438.547 4.916 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1539973857 FTFXTCYAYJIPGN-FQEVSTJZSA-N 439.633 4.645 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@]1(O)CCCC1(C)C 1540084519 WAVDAHLBFOCTHE-DEOSSOPVSA-N 447.023 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1540119837 LGEMUOUHYKLUNA-CLOONOSVSA-N 435.955 4.833 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N1CCC[C@@H](C)C1 1540158457 IGQANBOUGCGKAK-MOPGFXCFSA-N 444.023 4.906 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(Br)cccc3[nH]2)cc(OC)c1OC 1542445649 LUYUCUHXMBNSDE-UHFFFAOYSA-N 429.314 4.606 30 10 IJEE CN(CCCC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C(=O)c1ccncc1 1544842916 CZIVGJYGRGNLEL-UHFFFAOYSA-N 430.533 4.595 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C 1546642472 IEPQZXDSIFWJEF-MOPGFXCFSA-N 438.595 4.739 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1554162463 ASQPQVSQESWMNG-DHIUTWEWSA-N 444.583 4.689 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C 1556564035 BQKZFCUMRZQCKH-QFIPXVFZSA-N 440.588 4.943 30 10 IJEE C=CC[C@@H](CO)CNCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1560423014 QQZQWNUYEFBYGI-QGZVFWFLSA-N 426.358 4.576 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1c(F)cc(C)cc1I 1562539814 LRDZDAZWIFNKON-UHFFFAOYSA-N 440.256 4.625 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)C1 1563486733 OAPHXYJRRACWLU-HYBUGGRVSA-N 428.580 4.811 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CC)Cc2cc(Br)ccc2O)cc1OC 1566306386 JMICWNGEWJCECB-YRNVUSSQSA-N 446.341 4.790 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 1566927604 ONDBICBMJUYLGC-QGZVFWFLSA-N 443.922 4.930 30 10 IJEE C=CCN1CC[C@H](N(C)C(=O)COc2ccc(C(C)(C)CC)cc2C(C)(C)CC)C1=O 1568184622 YVALMUFKLUWTTL-NRFANRHFSA-N 428.617 4.686 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)c1 1570037376 AFBFFGQFQXAZDD-UHFFFAOYSA-N 435.467 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(CCC)CC1 1589151164 SUNZSMBNRSJCLK-RPLLCQBOSA-N 433.644 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1ccco1 1589178484 YJNUQVCDHCVHCG-FGZHOGPDSA-N 445.350 4.745 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCSC1 1593696199 LDMFECNSWLNKRZ-WOJBJXKFSA-N 430.618 4.569 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC(N)=O 1594460998 HIZZXLTTXLPRCV-INIZCTEOSA-N 429.634 4.578 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1nccs1 1594472490 FLONCNOESGPQRC-UHFFFAOYSA-N 427.574 4.658 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1594559886 SNSSXEYYKSNNCN-SQJMNOBHSA-N 439.604 4.559 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1594651089 GISXNKBWSONAES-FQEVSTJZSA-N 428.552 4.605 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1594698210 MKDFZMBWMWGRMP-RTWAWAEBSA-N 440.588 4.855 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CCOc1cccc(C(F)(F)F)n1 1594929088 CUWSFTGFRQMLHQ-UHFFFAOYSA-N 437.853 4.714 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(OC(F)F)c1)C1CC1 1595058928 XGNNTBQZXNBHMT-UHFFFAOYSA-N 445.901 4.722 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)cn1 1595108875 NIFTVQAEJYOQJF-UHFFFAOYSA-N 434.906 4.769 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1cc(F)ccc1F 1595161868 OCLGJOSTOQJCCX-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C#C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccc(Cl)cc1 1596953522 FOENHBNPRHBQBM-VQTJNVASSA-N 437.754 4.511 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3c(F)c(F)cc(F)c32)nnc1-c1ccco1 1597156719 YZDLPZJCHIYCTR-UHFFFAOYSA-N 448.470 4.603 30 10 IJEE CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1611764968 BTJZINAJHCCZMN-XZOQPEGZSA-N 427.980 4.670 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)c1 1620756081 ZIFDAKPSNKOHSE-UHFFFAOYSA-N 426.563 4.643 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 1627182303 ZVBOQPNJXWFSES-KRWDZBQOSA-N 426.344 4.516 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc([N+](=O)[O-])c1Cl 1632118742 WMIUKOSPONJEKE-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE CCCc1c(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 1633287057 GBVAWSAABGBKFH-DEOSSOPVSA-N 447.970 4.953 30 10 IJEE N#Cc1c(F)cc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)cc1F 1633553122 FDQIHFQXMMBXPZ-UHFFFAOYSA-N 433.336 4.973 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1637677423 BOLXWOBCRUHQFY-AWEZNQCLSA-N 439.350 4.600 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1)c1ccccc1 1638029673 ORINEHRJDOACGS-VWNXMTODSA-N 449.595 4.714 30 10 IJEE C#CCN(C(=O)/C=C\c1ccccc1O[C@@H](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1638330703 AXJZQQJSLBTOIK-ODLZTCLXSA-N 440.584 4.738 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2cc(-c3ccc(Cl)cc3)sc2C(=O)OCC)C1 1643559900 UPCNWWWKVAFLBF-INIZCTEOSA-N 444.984 4.919 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)CN2CCC[C@H](C)C2)cc1OCC 1648914010 MKWDSTYKKVYGBE-IRXDYDNUSA-N 425.411 4.623 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CN2CCCCCC2)cs1 1650620593 JNWJKNPKBGTVPR-GOSISDBHSA-N 436.622 4.707 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 1653156350 CNRLZYOTONYYDI-QGZVFWFLSA-N 434.565 4.930 30 10 IJEE N#Cc1ccc(N2CCN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)CC2)c(Cl)c1 1655424511 BKNONYXAYMDOTI-UHFFFAOYSA-N 434.714 4.895 30 10 IJEE C=CCn1c(SC[C@@H]2C[C@H]2C(=O)OCC)nc2sc(-c3ccccc3)cc2c1=O 1656183621 OZXODSOYUWYOLB-JKSUJKDBSA-N 426.563 4.602 30 10 IJEE CCc1ccc([C@@H]2CN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CCO2)cc1 1658254467 HAPVOSZYRBOJDV-QHCPKHFHSA-N 425.960 4.531 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC/C=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 1662198656 HWUFDVGECYEDIG-XATRPZBDSA-N 437.543 4.936 30 10 IJEE CC(C)N(c1cnc2ccccc2c1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1663702485 CEAQEEYVKAHZPG-UHFFFAOYSA-N 448.317 4.612 30 10 IJEE COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(C#N)ccc1C 1666803882 GWZFBUMQUZZWCZ-HXUWFJFHSA-N 434.561 4.697 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC[C@@H](CC)Oc2cccc(C(F)(F)F)c2)cc1 1667811507 GCPYOHWHCKKWRA-GOSISDBHSA-N 427.488 4.960 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 1670587383 BKQRHPYYGGRJJI-UHFFFAOYSA-N 436.340 4.825 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccc(F)c(F)c1 1671851575 GNJVBHFMGWXMRF-RBUKOAKNSA-N 444.400 4.904 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1673340388 OLYIKYCWCSTXDW-YPAWHYETSA-N 429.605 4.804 30 10 IJEE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C(=O)Nc1cccc(C#N)c1C 1675320354 GRIMGRLITSZAJE-FGZHOGPDSA-N 434.540 4.910 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC1CCC(OC)CC1 1681424539 NGXQVRSSQCQFPP-UHFFFAOYSA-N 427.358 4.881 30 10 IJEE C=CCCC1(CNC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CCCC1 1682692390 VBBUPCVWIUBVCT-DLBZAZTESA-N 447.542 4.858 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1683676259 KNWBCEQZCNWBOB-HXUWFJFHSA-N 448.007 4.987 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 1684994553 OYBIUGQPEJSDQM-VXKWHMMOSA-N 427.589 4.715 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc2cc(Cl)ccc2s1 1689839910 OYSJIGDTNSBEAW-LBPRGKRZSA-N 443.363 4.763 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)C(C)C)CC1 1690133451 HJOICYSPERRODY-UHFFFAOYSA-N 446.064 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(=O)N(C)C 1690256057 BQKPWHFRWHTPLV-SFHVURJKSA-N 448.011 4.569 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC1CCN(CC)CC1 1690262714 KRPKPNWOBDVWMO-UHFFFAOYSA-N 447.631 4.655 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690280309 DTSNFHSXNFTFLH-LEWJYISDSA-N 440.588 4.714 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cccs1 1690304805 OHCKVYBVUMMZPK-LJQANCHMSA-N 439.541 4.849 30 10 IJEE C=CC[C@@H](Cn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1C(C)(C)C)c1ccccc1 1690447591 SJPQOVKYJXMREY-JTHBVZDNSA-N 448.615 4.730 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](c2ccco2)C1 1690475185 IKUPTMGQXQBBLD-HNNXBMFYSA-N 449.374 4.906 30 10 IJEE C=CCCCn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1690496533 SUYLFSPMXZNCSP-IBGZPJMESA-N 447.549 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCN1CCC[C@H](C)C1 1690569863 OEGTWYCCSINUOE-NZQKXSOJSA-N 441.595 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](OC)C(C)(C)C)C1 1690711968 LLEQWWDCRUZKAH-CTNGQTDRSA-N 444.645 4.721 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCCN1CCCC[C@@H]1C 1705502956 LJYQYHFJVHGURI-PKTZIBPZSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1705520060 GUFWDXDTVUZPET-OAQYLSRUSA-N 447.608 4.723 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1705540355 WLWICJIBXLUVPI-MLDBQTBOSA-N 436.600 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(C#N)o1 1705669010 ZCIMPKFLLKRILF-KBMIEXCESA-N 429.524 4.540 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705722786 ZKNVEWWOBSLJKZ-FUHWJXTLSA-N 437.544 4.617 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN(CC)C2CC2)CC1 1705772079 HOWBIQICDKMWJI-UHFFFAOYSA-N 437.632 4.795 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1705783273 ZSWPPBDECSUCFQ-RUZDIDTESA-N 438.547 4.528 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705847927 BPBXOHBSUSZNCJ-REWPJTCUSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1Cc1nccc(C(F)F)n1 1705857153 AEMVVPCGVIMSHC-MRXNPFEDSA-N 437.498 4.632 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1Cc1nc(C)cs1 1705861258 ZZUUMTDAUMMKEK-UHFFFAOYSA-N 432.597 4.888 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCCCC1 1705869128 MRKFYKKEADJKRK-UHFFFAOYSA-N 427.980 4.620 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(OCC(F)(F)F)cc2)C1 1705917072 UBAGXPBFSAJLDP-LPHOPBHVSA-N 438.494 4.562 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)n1 1707839057 GMAHBVQJOQQVRE-WZONZLPQSA-N 431.588 4.735 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC(CC)CC1 1722452531 QLVPNHATLJIKKU-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1csc(COC)n1 1722500680 KDAGVGDYSDZMOQ-UHFFFAOYSA-N 437.613 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCC(C(F)(F)F)CC1 1722518576 XMNPBRFUPUUQJI-JEVOJNTISA-N 444.542 4.773 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1722526382 WDOCSHRGAMMHQW-UHFFFAOYSA-N 429.615 4.577 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722579794 TWYZLBJXVIGUBB-RCZVLFRGSA-N 436.600 4.858 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc2sccc2c1 1722632893 LJEOBUVLKMPWMY-UHFFFAOYSA-N 442.386 4.931 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](CC(C)C)N(C)C 1722633488 UNPFMVWWPHZYNL-FQEVSTJZSA-N 438.645 4.976 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722633878 KINXWLDRQUADDN-LEWJYISDSA-N 441.620 4.992 30 10 IJEE CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C1 1729269590 HZQOCWBDIRCUGT-NRFANRHFSA-N 436.560 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(OCC)CCCC1 1740537998 BSSQXDPVWHOHQW-CQSZACIVSA-N 437.407 4.576 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1740574518 ZYGBQIOKGRFMEV-XMSQKQJNSA-N 438.572 4.839 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(C)(F)F)c1 1740648720 OPTVKDRNUSGFIU-UHFFFAOYSA-N 439.897 4.616 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCCC1(F)F 1740658294 HBIZBDQQQYQHDA-NRFANRHFSA-N 440.538 4.762 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740673691 CNASTKBAYOEXGF-ZJSXRUAMSA-N 433.600 4.582 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1740740312 ATIXYVNAWCHBEC-IAGOWNOFSA-N 431.309 4.697 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C)c1ccccc1 1740854456 PEQCNJARMQTGNS-MZYLBHOOSA-N 446.599 4.735 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740892280 SUSJMIASMANTPE-LEWJYISDSA-N 439.604 4.842 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCc2cccnc21 1740893924 CCERDMCNAUAFHB-HNNXBMFYSA-N 444.402 4.906 30 10 IJEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1740897817 VYMWSSYWEAVVIK-KGLIPLIRSA-N 432.450 4.510 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1741001619 ZCITWFNTPLFYLR-SFHVURJKSA-N 449.665 4.548 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCC1 1745642453 BGCHCXOREAOOHZ-UHFFFAOYSA-N 435.597 4.642 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccccc1F 1748648164 ZMHABPWGUAGPKZ-AWEZNQCLSA-N 444.352 4.611 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CCC#N)CC1CC1 1748703391 ZTYRZAMTBUWOAZ-UHFFFAOYSA-N 440.389 4.950 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1csc([C@H](C)OC)n1 1748777206 CMLLNNCSGFXTOE-LBPRGKRZSA-N 436.368 4.534 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCO[C@H]1CCCC[C@H]1C 1748918865 RZWUPDMYJLNYHL-XLIONFOSSA-N 445.405 4.762 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1749276692 PZQKBJLRURYWBO-GFCCVEGCSA-N 435.931 4.788 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)c1nccs1 1749402713 QYCNNQALMSHETI-XLIONFOSSA-N 439.585 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)C(C)C 1749563776 OINXSMUCVGCHRU-CQSZACIVSA-N 425.396 4.619 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)C[C@@H]2CC)cc1 1749686640 WHVSAXVXYBBVPT-UWJYYQICSA-N 437.613 4.872 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749745669 DAPFLVKLZZNGOE-WTOYTKOKSA-N 442.629 4.896 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1CCSC(F)(F)F 1751260898 CAWBEBDFZYMUHW-ZDUSSCGKSA-N 443.470 4.550 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CC1 1760123984 MONOZBJICSVYKP-ZDUSSCGKSA-N 425.385 4.517 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(F)CCC1 1760209266 BTSPNZGKOGWXRO-UHFFFAOYSA-N 435.330 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCN1C1CC1 1760338306 IGSBXUIOFNQQKF-IBGZPJMESA-N 429.559 4.566 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760351164 BDIZZCJGUJRWQG-PKTZIBPZSA-N 438.616 4.983 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1760373078 GLEITPCDSTTYGR-QHCPKHFHSA-N 440.979 4.615 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1760562970 BFIPVXGAMPZZOH-DSKINZAPSA-N 442.629 4.896 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1)C(C)C 1766880596 BTHXGKJPKCCJOK-UHFFFAOYSA-N 448.537 4.716 30 10 IJEE CN(CC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)N(C)C 1768772498 HMCCLEXGWKELGX-JOCHJYFZSA-N 434.613 4.808 30 10 IJEE CCCCCCCCNC(=O)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1861718890 UWJRTRUGMYKZDQ-UHFFFAOYSA-N 426.401 4.931 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1862431790 OTNABZOVSLDDGU-GQNMWPQZSA-N 441.911 4.908 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862477127 SNNUOUBKKNOQMB-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862590418 IHJQHWYIXPOESC-HSZRJFAPSA-N 431.463 4.872 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(F)cccc1Cl 1862631775 SYXCCLPLZPKUMP-FQEVSTJZSA-N 445.874 4.976 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 1862681272 WNNDUISMWLLXGS-SGTLLEGYSA-N 432.289 4.965 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862718123 TYQAOYOFYGDSOJ-QFIPXVFZSA-N 430.460 4.982 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cccc2ccccc12)c1ccc2ccccc2c1 1862720282 VABNLZXRBVPAJS-RUZDIDTESA-N 437.495 4.954 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc4c3CCCC4)=C(c3ccc(F)cc3)C2=O)c1 1862768693 APCOYPQSUIIHLU-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccncc1 1864604581 TVQNWLMLVBKCQU-OAQYLSRUSA-N 439.604 4.558 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C[C@@H](c1ccc(C)c(C)c1)C1CC1 1868680651 MVZMZLGMDTXQKD-PKTZIBPZSA-N 428.642 4.626 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CSc3ccccn3)cc2=O)cc1 1870232719 HASBQCHPPPXLDX-UHFFFAOYSA-N 429.501 4.628 30 10 IJEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CNc2ccc(C)cc2)cc1=O 1871011150 ZIYTUNGAQLVTMY-SANMLTNESA-N 441.575 4.618 30 10 IJEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1cc(Cl)ccc1C 1871117980 YVWZXTXXMBHWSN-UHFFFAOYSA-N 433.980 4.647 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(OC(F)(F)F)cc1 1871251856 AAMFYSHNFFSZQG-UHFFFAOYSA-N 443.425 4.830 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871366538 KHCWWQGDMDXMNU-QRVIBDJDSA-N 434.419 4.825 30 10 IJEE COc1cc(/C=C2\Oc3cc(OCCc4ccccc4)ccc3C2=O)cc(OC)c1OC 1871399473 LIBKQNDNYZFXRG-XKZIYDEJSA-N 432.472 4.950 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCC 1871800006 YQZSUTVEYQQBEC-KSSFIOAISA-N 435.417 4.965 30 10 IJEE N#C[C@@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872759498 QMDUYIYRGNWAOO-INIZCTEOSA-N 442.294 4.900 30 10 IJEE CCc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872761289 KETFQYKSRBIINE-LEWJYISDSA-N 429.545 4.597 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1 1872769696 XVEMILPHVCREJG-TZIWHRDSSA-N 429.545 4.652 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccco1 1874289561 LCHIXRJMRRZZHZ-ZMOGYAJESA-N 438.484 4.772 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2/N=C/c2ccc(C(C)C)cc2)c(C)c1 1874328167 ABPJSXIBXJDKRR-MFKUBSTISA-N 438.597 4.954 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1sccc1C 1874343795 ISVIAHHXZJZCTJ-WSDLNYQXSA-N 449.001 4.820 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCc2ccccc2F)cc1O 1874412775 VEESSPXPIJTYAK-FSJBWODESA-N 440.525 4.655 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2/N=C/c2ccco2)cc1C 1874436720 OMROEAKCZZOKTN-YDZHTSKRSA-N 425.558 4.690 30 10 IJEE CCCSc1nnc(CC(C)(C)C)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874439983 CUKOVWAEIFTLLV-RGVLZGJSSA-N 441.395 4.728 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cc(Cl)c1O 1874445452 FKUBTJILILRSEX-UXHMZNKVSA-N 444.944 4.672 30 10 IJEE CCCCc1nnc(SCC(=O)N(CC)CC)n1/N=C/c1ccc(C(C)(C)C)cc1 1874475759 QEHLCVSKGQRMHD-LFVJCYFKSA-N 429.634 4.761 30 10 IJEE Cc1nnc(SCCCO)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874533153 UTCHGTZHPZQCTR-PCLIKHOPSA-N 432.549 4.675 30 10 IJEE CC(C)Oc1cccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2)c1 1874569935 JEVXPLRUOSZPHO-OEAKJJBVSA-N 430.961 4.901 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc1OCC(=O)NCc1ccco1 1874599235 BVZWIIGJXHKVMK-VQHVLOKHSA-N 449.503 4.505 30 10 IJEE CCCC(=O)Oc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c(Br)cc1OC 1874707453 GKENWPVWMWZSED-FNORWQNLSA-N 447.281 4.788 30 10 IJEE CCCCCCCCC(=O)N1[C@H](C)CSc2nnc(Cc3ccc(OCC)cc3)n21 1875040167 DGNJAEFEBCGFDW-GOSISDBHSA-N 430.618 4.977 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Cl)c1OC(=O)COCCOC 1875134791 LLRLOLJKSBIPFN-VQHVLOKHSA-N 446.927 4.820 30 10 IJEE C=CC1(Oc2cc(Br)nc(CCC)n2)CCN(C(=O)OC(C)(C)C)CC1 1881871051 TVPIMSCEDUPEIP-UHFFFAOYSA-N 426.355 4.526 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)CC2)C1 1912143811 KZHJQFAMEFVPGL-UHFFFAOYSA-N 448.568 4.997 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 1912151514 IKZAXXQSKKKGCC-QYWGDWMGSA-N 434.541 4.606 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H](CNC(=O)OC(C)(C)C)CC1CCCC1 1962793874 HLJOYXDFBNQPSA-QGZVFWFLSA-N 429.399 4.631 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)cn1 1980507262 YJPWKWPXTVQESR-CYBMUJFWSA-N 430.427 4.793 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1993731750 ZSAGVCYSOGBGKU-LPMFXHHGSA-N 435.487 4.761 30 10 IJEE CC#CCCCC[C@@H](NCCC)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2019508987 JWXIQWKZSJVWOT-RPWUZVMVSA-N 429.649 4.964 30 10 IJEE CCCCC#CC[C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024351567 JVHPBUBAISYRHZ-HSZRJFAPSA-N 428.617 4.881 30 10 IJEE COC(=O)c1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079201819 VVZIIQLVYRMCGB-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 2094848914 IKGXPLVVYAEUSP-UHFFFAOYSA-N 438.377 4.623 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Cl)c1Br)NCC 2102880685 RTFSXXSVACPIBO-IAGOWNOFSA-N 443.813 4.930 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1CCC2(CC1)CC(NC(=O)OC(C)(C)C)C2 2180993503 NPEYXFGGUAGXPS-UHFFFAOYSA-N 441.410 4.773 30 10 IJEE C=CCC(C)(C)OC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2229119338 CDRGNRKOBQNTGM-INIZCTEOSA-N 426.351 4.783 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)c1cnc(NC(=O)OC(C)(C)C)o1 2235717994 CBZGNFQRPQTXCF-INIZCTEOSA-N 434.334 4.877 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC 2235750583 WXBLKQVLRQWAND-DFQSSKMNSA-N 435.406 4.814 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 2267830136 YXECKYZXOAPDHG-UHFFFAOYSA-N 438.215 4.802 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(c3c(Br)cccc3C#N)C2)C1 2285188849 XLWCARFVOJOTOC-OAQYLSRUSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2ccc(C#N)cc2Br)CCC1 2289765080 KMNOTIJPCKFSQD-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(C2CCN(c3nccc(C#N)n3)CC2)n1 2296588765 URCRPOQVBSQQKY-UHFFFAOYSA-N 440.429 4.642 30 10 IJEE Cc1cc(=NN=Cc2ccc(Br)cc2)nc(-c2ccc(Br)cc2)[nH]1 2297708832 WKUWHZYCEIXCHL-UHFFFAOYSA-N 446.146 4.845 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCC)c(OC)c2)SC1=Nc1cccnc1Cl 2314540809 ZALWNNMSJJMJCI-UHFFFAOYSA-N 429.929 4.932 30 10 IJEE N#Cc1cc(CSc2cc(I)ccc2Br)ccn1 2316472912 QTPABNNQTOSWTM-UHFFFAOYSA-N 431.096 4.613 30 10 IJEE CCCOc1cccc(C=Nn2c(CC)nnc2SCC(=O)Nc2cccc(C)c2)c1 2320956397 CEQYHVJQVFETEF-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE COc1cc(Br)cc(C=Nn2c(C)nnc2SCc2ccccc2C)c1O 2321096034 JCMUGHCIVNYXQW-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(cc4c(c3C)OCN(CC(C)C)C4)C1=O)cn2C 2322353590 LPKRZVGWKAZSRH-UHFFFAOYSA-N 432.520 4.919 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)cc2F)c1OCC(=O)NC1CCCCC1 2322502535 BUJRRPORWLXUPV-UHFFFAOYSA-N 429.463 4.697 30 10 IJEE COc1ccc(C=C(C(=O)N2CCn3c(C#N)ccc3[C@@H]2C)c2ccccc2)cc1OC 2322806901 JURQUMBORJVVNY-SFHVURJKSA-N 427.504 4.521 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2323890108 FUTYFNYQTVBGLV-UHFFFAOYSA-N 432.403 4.977 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(O)c3CN3CCN(c4cccc(C)c4)CC3)C2=O)c1 2324186104 BVHNYNDDEGSZIK-UHFFFAOYSA-N 440.543 4.947 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)N[C@@H](C)c4ccccc4)c3C)C2=O)c1 2325019609 KJWKYQIIGAZRHN-SFHVURJKSA-N 443.499 4.876 30 10 IJEE CC(C)CCOC(=O)CCOc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O 2325103668 QORRAGXTMFGESN-UHFFFAOYSA-N 425.437 4.569 30 10 IJEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 2330532520 IJOVGWPFFIOXMZ-DEOSSOPVSA-N 443.934 4.981 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)c(C)c1 2331232074 PHLGTTICTFBVGJ-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1sccc1C 2331324366 QEVFSHYSMJRPIK-UHFFFAOYSA-N 431.562 4.743 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(C)cc1 2331350724 OIFKMQIFDJNSLO-IBGZPJMESA-N 435.597 4.781 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1ccccc1Cl)Nc1ccc(F)cc1 2331493374 CPYIWXANQDICHC-UHFFFAOYSA-N 443.935 4.951 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2sccc2C)o1 2331512184 MKFMKQMADBYQEW-UHFFFAOYSA-N 430.555 4.860 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)C(F)(F)F)c(OC)c2)c(OC)c1 2331716352 VVTOQWNMDUMZKT-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccccc2Cl)c(C)c1 2332188534 FXYVBCGUUDTLPD-UHFFFAOYSA-N 434.931 4.599 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2339603758 FPNNIMZRKLVAEK-GPZRYRNASA-N 442.365 4.647 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C 2360196093 JSKQCQMBBLHJQL-VDGAXYAQSA-N 435.406 4.814 30 10 IJEE CC1(C)OB(c2cnc(OCCCCCC(F)(F)F)c(Br)c2)OC1(C)C 2362737909 AOWCIJUXJYQSND-UHFFFAOYSA-N 438.093 4.645 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(Br)c(F)c1F)NCC)C(=O)OC(C)(C)C 2363120385 UHBYFJRFEUPUHW-OAHLLOKOSA-N 445.348 4.508 30 10 IJEE CC[C@H](NC[C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363845217 ZBNQTLZXLOSVNA-CVJWPJSTSA-N 448.460 4.795 30 10 IJEE CC(C)(COCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)C(F)(F)F 2377326377 HZKGBUSCGNSSLA-UHFFFAOYSA-N 437.105 4.853 30 10 IJEE COc1ccc(C2=NCC(=O)N(Cc3cccc(C#N)c3)c3sc4c(c32)CCCC4)cc1 21021823 ITXACKIORPRTHQ-UHFFFAOYSA-N 441.556 4.891 30 10 IJEE Cc1cccc(C)c1/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C1CC1 28722600 KKSXEQZHMWWXMW-VKWSUVGGSA-N 429.492 4.704 30 10 IJEE COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)cc1 33514141 BZBHKAFQLDADEX-QRVIBDJDSA-N 448.471 4.916 30 10 IJEE CCN1C(=S)N[C@@H](c2ccc(OC)c(OC)c2Cl)C(C(=O)c2ccccc2)=C1C 169931617 NYDXVNYLRAJCLR-IBGZPJMESA-N 430.957 4.765 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccccn2)cc1 169991040 NGMASRMYUZDFAC-NRFANRHFSA-N 433.895 4.584 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccn1 169994005 GPKNOODUUFTIIM-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccccc2)cc1C 170048518 HEBNRJWXILSDAJ-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1cc2ccccc2o1 170058284 VJKJTISFGTZIER-UWJYYQICSA-N 437.879 4.844 30 10 IJEE CC(C)Oc1ccc(C2=C(N3C[C@@H](C)C[C@@H](C)C3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170085820 QRVQAENRTSYJCM-KDURUIRLSA-N 443.547 4.608 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCOC(C)C)cc1 170113255 WVLNJYOQKZVYHE-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 170249768 JOWYZZFUGQQUMV-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c[nH]c2ccccc12 170256057 CKYRSFHHZPAKFM-NRFANRHFSA-N 433.464 4.845 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(Cl)c2)o1 170303550 SZTAKSLNQDQRKN-HXUWFJFHSA-N 437.835 4.753 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 170364140 JNNKQNUNUQAOBO-HSZRJFAPSA-N 443.455 4.597 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OC)c(OC)c2)cc1 170391258 UBGHEMNHXAKDKV-JOCHJYFZSA-N 433.460 4.642 30 10 IJEE COc1cccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cccc(OC(C)C)c2)c1 170432049 NQCMTSRUPFTHDW-QFIPXVFZSA-N 437.536 4.993 30 10 IJEE CCOc1cc(C=NNC(=S)Nc2ccc(OC)cc2)ccc1OC(=O)c1ccccc1 254867850 LWQQFTAILBKPMP-UHFFFAOYSA-N 449.532 4.634 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 390814679 HLHBGRPBAJXUBA-UHFFFAOYSA-N 428.165 4.586 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 460806777 XTMJGCDXGBUBRF-HSZRJFAPSA-N 448.567 4.834 30 10 IJEE C[C@@H](Cc1ccc(O)cc1)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 461318664 NJOBFWGMHVULHY-KRWDZBQOSA-N 429.549 4.700 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(Br)cc1F 461795173 LDEGFBBLNFHVQQ-CYBMUJFWSA-N 436.281 4.955 30 10 IJEE Cc1ccc(-c2cc(C(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)n[nH]2)c(C)c1 494868710 AFTHIAVVPCMUPE-INIZCTEOSA-N 443.532 4.773 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3C[C@H]12 504463666 YNCPTBSBAATVIL-COWNTTACSA-N 429.004 4.776 30 10 IJEE biogenic C[C@]1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CCCN1C(=O)c1ccccc1 523974927 QBBJFNMPWGEMIC-HHHXNRCGSA-N 439.515 4.771 30 10 IJEE C=CCn1c(N2CCC[C@@H]2c2ccc(COC)o2)nnc1C(F)(F)Oc1ccccc1 567313912 PUTOWFLMBAOFDA-GOSISDBHSA-N 430.455 4.673 30 10 IJEE O=C(N[C@H]1CCN[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1)c1cc(Cl)cc(Cl)c1 585853284 RWTQPWAAFQKLCL-NAIUUPAUSA-N 437.754 4.780 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)NCc3ccccc3)C2)c1 585933559 XKWAXCWPNNRWHZ-QHCPKHFHSA-N 434.584 4.628 30 10 IJEE C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 605677221 WMONFZWYSLZKRE-UHFFFAOYSA-N 426.460 4.544 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 609168373 ILSXTLNDHDIPHR-UHFFFAOYSA-N 429.476 4.700 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670230739 OLTCEBGMCHPPBF-QFIPXVFZSA-N 434.588 4.705 30 10 IJEE C=CCC1([C@@H](NC)c2c(F)ccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 722930413 VFFQVXZAYKQCHC-INIZCTEOSA-N 431.321 4.801 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(C[C@H](C)c2ccc(C)cc2)C1=O 737414252 GVGMKTLHRQNEEP-KXBFYZLASA-N 429.973 4.520 30 10 IJEE C[C@H](ON=C(N)c1cccnc1Oc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 741753523 CCKVWKYUZCGETI-AWEZNQCLSA-N 435.871 4.975 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@@H]1c1cnc(-c2ccccn2)s1 753386577 CKJIMSKQJGSXBW-OAQYLSRUSA-N 448.523 4.821 30 10 IJEE N#C[C@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)C(=O)Nc1ccccc1Cl 765914621 FCZVWWONUADDGS-OAQYLSRUSA-N 448.906 4.688 30 10 IJEE CCO[C@@H]1C[C@@]2(NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)C1(C)C 771821275 YVIOEBDMFOYXSN-NRYAXDJKSA-N 437.927 4.625 30 10 IJEE CC(=O)Nc1ccc(C(C)=NOCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 774804762 NLZNEYOEEURJPS-AREMUKBSSA-N 441.531 4.560 30 10 IJEE C#CCN(C(=O)Nc1ccnn1[C@H](C)C1CC1)[C@@H]1CCOc2ccc(Br)cc21 776022067 JNEXEIDIBOACEQ-RDTXWAMCSA-N 443.345 4.608 30 10 IJEE N#CCCCN1C(=O)CCc2cc(NC(=O)/C=C/Sc3cc(F)ccc3F)ccc21 797998764 IXMBELMAJZIRSA-FMIVXFBMSA-N 427.476 4.792 30 10 IJEE C#CCC(CC#C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 803699050 OULIYMKZXQNGGU-UHFFFAOYSA-N 428.941 4.804 30 10 IJEE N#C[C@@H](C(=O)Cc1cscc1Br)c1nc(O)c2c3c(sc2n1)CCCC3 815899321 MLYPDVJEBIMBLI-NSHDSACASA-N 448.367 4.519 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1ccccc1C#N 917704815 PFMKBYNCLZCGAU-IBGZPJMESA-N 438.940 4.666 30 10 IJEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3cccc(C(F)(F)F)c3)S2)c(C)c1 1083900264 FKBLCUUSKPGXJU-QGZVFWFLSA-N 435.471 4.912 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 1124582819 CEPRTEGTKSBOJX-UHFFFAOYSA-N 429.307 4.656 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)c2)cc1 1125940166 AQKYCZKGDSJWRO-MRXNPFEDSA-N 433.414 4.620 30 10 IJEE COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 1126210675 CHYLESSKEVQORM-SANMLTNESA-N 427.548 4.964 30 10 IJEE C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1161476075 GTRHDKCARRRAFW-JLTOFOAXSA-N 425.326 4.723 30 10 IJEE C=C(C)COc1cc(CNc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)ccc1OC 1178684704 HPSNJFBJHSJVKE-UHFFFAOYSA-N 432.586 4.647 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCc1ccccc1 1188156197 ZYTPKGAVTRATBY-HXUWFJFHSA-N 449.620 4.935 30 10 IJEE N#Cc1cc(NC(=O)N2CCC3(CCc4ccccc4O3)CC2)ccc1OC(F)(F)F 1204207048 FFPCXEBBJSYOHT-UHFFFAOYSA-N 431.414 4.849 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1205384656 CPWTWBBCQHNZDI-UHFFFAOYSA-N 441.528 4.633 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(Br)c2ncccc12)C(C)C 1207704411 JKLUXQXPEICEHX-IBGZPJMESA-N 431.378 4.817 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cc1 1210363576 JHOSAMVMOPWEDK-UHFFFAOYSA-N 433.552 4.758 30 10 IJEE C[C@@H](c1cccnc1)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1216826970 DBANGFFBRNBUKM-IBGZPJMESA-N 427.508 4.656 30 10 IJEE C=C(CNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1)c1ccccc1 1229642399 GNWIOQXNZUIJEM-UHFFFAOYSA-N 447.348 4.693 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1)c1ccc(F)cc1 1248603176 HNDCMACKIHCANE-DEOSSOPVSA-N 434.467 4.809 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1256625571 FQPPWJQTAWDRRD-REWPJTCUSA-N 448.542 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1cccs1 1286282923 PNXYUGWWWYXMBE-XCLFUZPHSA-N 435.380 4.679 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1286356156 BYFPLZVCKWMQHP-HNNXBMFYSA-N 426.870 4.703 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccsc1Br 1286381244 PDIJXNQGOIMIMH-UHFFFAOYSA-N 447.427 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1CCCCC1 1286422349 YSUDCKTVSPCEBV-UHFFFAOYSA-N 431.403 4.812 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1286495675 BUZUWBRYNKLTPC-ZWKOTPCHSA-N 443.686 4.877 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(C)C)CC1 1286554428 XVNVGORDNLKZDJ-PZJWPPBQSA-N 429.996 4.847 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 1286677169 ZOXZVWNMAYNOTN-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(F)(F)CC1)c1ccccc1 1286677853 LCASROSEJYFGHF-IBGZPJMESA-N 445.558 4.792 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1Cc1cccs1 1286677899 LYCLUZRIEYSZFZ-ZJOUEHCJSA-N 444.645 4.877 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1286678263 TXVLHGFVKHSFNB-SFHVURJKSA-N 449.521 4.555 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCN(CCC)C(=O)OC(C)(C)C)C1CC1 1286733495 AUJHHARWVLTBAW-UHFFFAOYSA-N 443.567 4.886 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cccc(CN(C)C)c1 1286748138 QHWNLWPCUSFZTN-UHFFFAOYSA-N 444.608 4.704 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)Cc2cccs2)C1 1286805508 SRGKAVJGFUYAMX-GHTZIAJQSA-N 438.597 4.675 30 10 IJEE Cc1nc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C[C@@H](C)C#N)sc1C 1289148308 HINMGGJWNZQQPJ-DZGCQCFKSA-N 444.992 4.789 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(OC)ccc3OCC(F)(F)C(F)F)cc21 1289391392 WYQPBCLNWWEFJP-UHFFFAOYSA-N 437.393 4.762 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1C 1291085708 FLPDHNPONOGRDI-HCXYKTFWSA-N 430.597 4.525 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C1CCCCC1)N(C)C 1291843249 ADEINJHNADUQBX-HUVFLSCGSA-N 436.648 4.926 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(COC)cc1 1300283791 OYDJPMNYULBIPI-ROUUACIJSA-N 434.609 4.784 30 10 IJEE C#CCCCCn1c(C(C)C)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1300339660 QOYCMLPRUDYXDY-OAQYLSRUSA-N 436.604 4.552 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1300363428 YSGMJIMIZXQOSL-CTNGQTDRSA-N 443.636 4.869 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC=CCC1 1300591707 WLWXXLLJPGBWBH-GOSISDBHSA-N 443.378 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CC=CCC1 1300904806 HCKUVIHZXBSPPD-IBGZPJMESA-N 425.646 4.796 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCCN2CC)CC1 1301105115 DQMYEPVTLVGKDK-KNQAVFIVSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)c2ccsc2)CC1 1301130289 VPTICMRWUNPZNF-DEOSSOPVSA-N 438.597 4.537 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1301222922 JKYVBHXSSVJOPD-UHFFFAOYSA-N 443.599 4.579 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCCCC1 1301245979 NWCVSUNONYKOLU-UHFFFAOYSA-N 437.357 4.820 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1301260333 XJTGBVIKNMXSEU-NJNPRVFISA-N 430.543 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccnc(SC)c1 1301271047 UFOOINPUNMMZAU-UHFFFAOYSA-N 448.365 4.634 30 10 IJEE C=CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCCCCC1)C1CC1 1301321119 WOSQQKINNQDTNK-UHFFFAOYSA-N 440.588 4.593 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@H](C)C1 1301415693 ZYXCEFKFZVTKAL-MOPGFXCFSA-N 444.645 4.729 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(C(C)C)CC1 1301416470 HRFFAOOTKWIWCO-UHFFFAOYSA-N 433.394 4.783 30 10 IJEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC(C)(C)C1CC1 1302087180 DMXHLKJIFGXFQW-UHFFFAOYSA-N 438.595 4.739 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1 1351336768 WGIBQSQHTAAWTK-UHFFFAOYSA-N 431.945 4.648 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)c2ccc(Cl)cc2)c(C(=O)OCC)c1C 1355010913 ZUQDFUNQIZTNHV-GFCCVEGCSA-N 435.929 4.972 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1COCC[C@@H]1c1ccccc1 1357803563 JVVLFTBRGJXAJP-WOJBJXKFSA-N 432.333 4.923 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCN1CCCC 1358880731 RPKVYURWNAMTBQ-UYAOXDASSA-N 444.023 4.720 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1358907172 FSRMOYGPYPPAIW-UHFFFAOYSA-N 449.511 4.606 30 10 IJEE C#CCCCn1c(N(C)[C@@H](C)c2cc3ccccc3o2)nnc1[C@]1(OC(C)C)CCOC1 1358935974 YVUCTGVAIGTXFG-DFBJGRDBSA-N 436.556 4.676 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCCC(C)C)CC1 1358936565 QTGZLOUPGJTQTI-FGZHOGPDSA-N 430.637 4.642 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1358989367 ZBSLYIVFWMDKNP-UHFFFAOYSA-N 447.970 4.682 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1C 1359013240 QKTAVXNEMKZXKY-IAGOWNOFSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCOCC 1359064044 JWOLSNMMYMFZDO-WZONZLPQSA-N 430.980 4.880 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](C)C1 1359079871 XZHNIDHTTMAGPG-RYUDHWBXSA-N 446.176 4.774 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1csc(CC)n1 1359108672 XXMHXWVYDKJCNT-UHFFFAOYSA-N 449.422 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCc1csc(-c2ccccc2)n1 1359112569 NEMSTLXQVVODKS-FQEVSTJZSA-N 437.613 4.941 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(CC)(CC)C1 1359122082 WZRLEJFYNPHWIU-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359189445 LCWGKFKFUNSUOS-LJQANCHMSA-N 438.551 4.686 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1359195218 IZWCUEPEMUEGCN-BVAGGSTKSA-N 426.568 4.754 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CCC)C1)c1ccccc1 1359195800 RWMQKKLXRVXKRR-DNQXCXABSA-N 431.584 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1 1359276421 CBDPPPMQUZRALK-JOCHJYFZSA-N 433.581 4.931 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1359341492 YQANLYHLTFKUMC-LEWJYISDSA-N 439.629 4.985 30 10 IJEE C#CCOc1cccc(OC(=O)c2csc(-c3cc(Br)ccc3OC)n2)c1 1456135287 NKLNIHLGUABTBX-UHFFFAOYSA-N 444.306 4.812 30 10 IJEE C=CCn1c(SCCOc2ccccc2C(=O)OC)nnc1-c1cccc(Cl)c1 1458999950 MOKLSDOGOSTKIS-UHFFFAOYSA-N 429.929 4.742 30 10 IJEE COc1cc([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1OCCC(C)C 1462856249 AIBAMFVLKMKPPV-OAHLLOKOSA-N 436.961 4.685 30 10 IJEE COc1ccc(C2=NO[C@H](CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)C2)cc1 1465608292 FQBVCYJLJOTNKU-QHCPKHFHSA-N 442.475 4.674 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)OCC 1468125937 RKTZPEUZADMYHD-OAQYLSRUSA-N 437.927 4.820 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](CC#N)C1 1470047278 BOFLJHUQIGOJAF-DFBJGRDBSA-N 445.563 4.702 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)Cc2cscc2Br)n(C2CCCC2)c1C 1473760390 FZXKKKHMDKLYDT-UHFFFAOYSA-N 449.418 4.986 30 10 IJEE CC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)NCc1cccs1 1475950163 CSGSUFIFQAEWBE-VXKWHMMOSA-N 432.549 4.620 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1503969540 DVNOUSJCFULKQW-LQNXUBFPSA-N 443.979 4.627 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1507604008 WBZGRCIAFXKGGO-UHFFFAOYSA-N 445.995 4.751 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H](c1cccnc1)C(C)C 1507669135 SCTCYIYPRDMCDG-VWLOTQADSA-N 448.574 4.791 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1(O)CCCCCC1 1507700228 OPTNCLDJRUTDBR-UHFFFAOYSA-N 436.531 4.711 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CCCCC1 1507798788 UHNJNDNFGYMIMH-IFMALSPDSA-N 439.560 4.851 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2sc(C)nc2C)CC1 1507902552 KMGKJZKIPIUGEB-UHFFFAOYSA-N 429.540 4.671 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccco1 1507947674 IEERGOKUMQFTEA-GOSISDBHSA-N 429.565 4.588 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1507965634 PCUIKKSAPOHTNI-UHFFFAOYSA-N 437.632 4.547 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCNc1ncc(Cl)cc1Cl 1507986127 UZYICEMSVIGXJG-UHFFFAOYSA-N 447.370 4.602 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1ccc(OCC(F)(F)F)nc1 1508013430 OWZVLJUPTCNRMP-UHFFFAOYSA-N 447.436 4.647 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](CCC)C1 1508155628 QNLXVGRKKLCDMU-IBGZPJMESA-N 439.585 4.525 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1508159535 OTZLGDOZAGRLEU-LJQANCHMSA-N 436.984 4.835 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 1515006971 DAMSDYKVMNFWJW-UHFFFAOYSA-N 427.298 4.616 30 10 IJEE C#CCOc1ccc(COC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1515070507 MABOLQKAXVLTCO-UHFFFAOYSA-N 440.474 4.976 30 10 IJEE C=CCC1(CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)CCCC1 1521316659 SOLGGMNDLDATBY-UHFFFAOYSA-N 433.581 4.674 30 10 IJEE C#CCN(C(=O)[C@H]1SCCc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 1521818259 BBZAXWNXOCMYTP-CTNGQTDRSA-N 442.378 4.765 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1)C(C)(C)C 1525076285 QKYHQEWXSCYZEG-HXUWFJFHSA-N 430.342 4.814 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1527088572 KRSXOCKJERXYEI-DEOSSOPVSA-N 430.545 4.559 30 10 IJEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1)c1nc(-c2ccccc2)cs1 1530619891 VCDPBHFOEBZZEO-SFHVURJKSA-N 435.524 4.830 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1531515067 JVIZSQMBXYHOJP-JOCHJYFZSA-N 437.609 4.543 30 10 IJEE C#CCSc1ccc(COC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)cc1 1537416227 GRPSQHANUOJIDH-UHFFFAOYSA-N 428.575 4.550 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1539058528 GBOODAUHQOZESF-KDURUIRLSA-N 442.629 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1539539943 AACYIURAOZNBDQ-VAXXYWNWSA-N 444.526 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](CC(C)C)N(C)C 1539541524 IPOJOLNIQGGYMI-JYFHCDHNSA-N 433.644 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H](c1cccnc1)C(C)C 1539569794 VBHDVXPJNZNLTK-HFZDXXHNSA-N 447.558 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H](C)C1CCCCC1 1539611711 DBMCTPAZDWUVEQ-DWLFOUALSA-N 445.652 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCSC1 1539669243 NDMMSNSPGWMWGD-SFHVURJKSA-N 449.665 4.548 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1539743739 QECCCJROFUUBOB-UXHICEINSA-N 445.007 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1539911293 ZOGVLYLFGTZQQU-UHFFFAOYSA-N 447.627 4.708 30 10 IJEE C=CCCCn1c([C@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1540004881 HUCGJGZFDDZKBV-CVEARBPZSA-N 431.378 4.634 30 10 IJEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OCC(F)(F)F)nc1 1540049501 NDPVPGWBPJOUAP-IBGZPJMESA-N 445.489 4.827 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1540146553 HAPIPCQILRCJNE-PMACEKPBSA-N 445.677 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCCC1(C)C 1540177025 KRXFSKZLRLGXET-XMMPIXPASA-N 426.630 4.998 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCC(C)CC2)C1 1540885584 LVEWVIPHUSTGGA-JOCHJYFZSA-N 444.023 4.502 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCc1ccc(Br)cc1 1541118458 AOBNXTCVBIKSFC-INIZCTEOSA-N 430.394 4.612 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccccc3Cl)CC2=O)cc1Cl 1544805355 ADIBPFZQNNNLJI-FOIQADDNSA-N 428.319 4.582 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 1545207609 HJNYWNGBIXPTNG-YKSBVNFPSA-N 432.992 4.919 30 10 IJEE C=CCCC[C@H](NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)c1ccccc1 1558130412 BILMAVYDJBENBX-IBGZPJMESA-N 436.581 4.656 30 10 IJEE C=CCn1c(SCCCc2c(F)cccc2F)nnc1[C@H]1COc2ccccc2O1 1559333000 BIUGVGDEULKKCL-HXUWFJFHSA-N 429.492 4.980 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(Cl)ccc1C 1561208136 CFVQRPPBJNBSHB-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2)C(C)C 1565607926 MZQHUCXRUDTZIC-HSZRJFAPSA-N 438.591 4.844 30 10 IJEE C#C[C@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C)c1ccc(Br)cc1 1583565353 GWXTWCCZFFJGKP-ZWKOTPCHSA-N 449.389 4.665 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1cccc(F)c1 1587587047 WVSDGONTCGWACX-IAGOWNOFSA-N 438.572 4.807 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1587807804 JBMMIKGHPPHCOG-NZQKXSOJSA-N 449.643 4.759 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(CCOC)CCCC1 1588020814 YHAQJTGOPVOMRH-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)[C@@H](C)CC)CC1 1594218829 USBWMCYCZHJULQ-AOMKIAJQSA-N 447.421 4.907 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCC(C)(C)C2)CC1 1594429710 AFVIDVSSLPNPMS-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1594521483 OYZMUJHDJDVXHP-GOSISDBHSA-N 435.572 4.946 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 1594600058 HIBZFTIHKDJPEZ-GOSISDBHSA-N 434.544 4.784 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CCOC(C)(C)C 1595244030 PAXYNPSUQRKLSZ-UHFFFAOYSA-N 429.952 4.637 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)c2c(C)noc2C)C1 1595701322 ZUSYRLRBAYNZMH-YWZLYKJASA-N 441.963 4.788 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2ccc(Cl)cc2C1 1595896035 UAAXKDIRPVHJPE-UHFFFAOYSA-N 446.045 4.769 30 10 IJEE C=C[C@@H](CC(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1596042908 AUBIFDOZDQSBLF-GMAHTHKFSA-N 442.600 4.611 30 10 IJEE C[C@H](C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N1CCN(c2ccc(F)cc2)CC1 1616747368 AXYKTOOSIQWNMU-LJQANCHMSA-N 444.510 4.639 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)C(C)C 1617263640 AMDVTPJQTGJRSQ-UHFFFAOYSA-N 439.412 4.870 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc2ccccc2cc1C(=O)OCC 1618117374 PQJNXYPRQPNPSM-LJQANCHMSA-N 446.931 4.991 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)s1 1618499759 QEENDBPLQMXMNI-UHFFFAOYSA-N 431.315 4.943 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccccc1Oc1cccc(Br)c1)C(=O)OCC 1627752259 NSEAAKYPVYJAPM-GOSISDBHSA-N 432.314 4.869 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 1629139262 GTHBLUYOXMNJCV-SFNQZPIRSA-N 443.009 4.708 30 10 IJEE C=CCN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)[C@@H](Cc1ccccc1)C(=O)OCC 1632976416 CGLFCSFIRAAJAN-QFIPXVFZSA-N 437.927 4.533 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccccc1 1633352020 QFTLJRXFWFRCOA-FXSPECFOSA-N 444.506 4.641 30 10 IJEE C=CCOCC(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1634171699 PEEYJVLDIBKPCI-UHFFFAOYSA-N 430.302 4.653 30 10 IJEE C#CCN(C)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)C[C@H](C)C2 1636805528 HWVDYRNXZRJZMN-HQMFNGAOSA-N 427.548 4.636 30 10 IJEE C#CCN(C(=O)CCSc1cccc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331266 QDTNUUBXDIAOMB-UHFFFAOYSA-N 437.005 4.684 30 10 IJEE C=CCN1CC[C@@H](Sc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)n2C)C1=O 1640601526 ACZULLYZAYTIJB-DOTOQJQBSA-N 430.643 4.574 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(COC)c(C(F)(F)F)c1 1640950549 IBLWCNCHSBJKQD-UHFFFAOYSA-N 431.414 4.855 30 10 IJEE C=CCn1c(S[C@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)nnc1-c1cccc(OC)c1 1640970762 WCQYRZLOFWQMMF-WFXMLNOXSA-N 442.629 4.761 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 1651573470 PBDQNRRSKNEIFP-CVEARBPZSA-N 430.643 4.740 30 10 IJEE Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C#N)c(Cl)c4)c(=O)c23)cc1C 1651682470 BVADZMCMIQAOPN-UHFFFAOYSA-N 448.935 4.906 30 10 IJEE C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(Cl)cc1 1654150746 HVYXBFPZLRRUDR-XNAIMREJSA-N 439.762 4.650 30 10 IJEE Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)ccc1C#N 1663655974 AHWRBNRYRROPEE-OAHLLOKOSA-N 447.276 4.601 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 1669929705 PYWIYJJMLRLSFN-UHFFFAOYSA-N 435.471 4.750 30 10 IJEE C=CCC[C@H](NC(=O)NCC(=O)N1CCc2ccccc21)c1ccc(C(F)(F)F)cc1 1678237812 KXBMSHNDZGAZAM-IBGZPJMESA-N 431.458 4.601 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 1679943724 AOLBCQCQYGMCCG-YSIASYRMSA-N 446.979 4.726 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCNc1ncc(Cl)cc1Cl 1689840459 ZTDWTEIDDHURCO-HNNXBMFYSA-N 443.382 4.779 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(OC)CC1 1689887060 NVYKRGVNBHYXTM-VWLOTQADSA-N 433.556 4.799 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCSC(F)(F)F 1690034651 ODYQUSACQYSHBT-UHFFFAOYSA-N 443.498 4.518 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC[C@@H]1CCO[C@H](C)C1 1690212231 DPYKCEAGIFHWOL-XLGIIRLISA-N 436.600 4.671 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690301132 PUIIRHXZNWTSEC-RPWUZVMVSA-N 448.615 4.759 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(O)CCC(C)C)CC1 1690369458 KLDHFEHFCZVXTR-RUZDIDTESA-N 442.604 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690435728 DETQABAXDFPGFF-VQTJNVASSA-N 434.632 4.871 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1690444209 CHBLDMWNPFVEML-JRFVFWCSSA-N 438.616 4.785 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)F)CC1 1690456022 SHEWZDBTVRAIHU-UHFFFAOYSA-N 445.892 4.778 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690460774 MYURZGHTGYKITD-UHFFFAOYSA-N 432.572 4.697 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1690488312 NPVBYMFSUSNELX-XMMPIXPASA-N 426.568 4.561 30 10 IJEE C=CCCCn1c(N2CCC[C@H](NC(=O)CCC)C2)nnc1C1(c2ccccc2)CCC1 1690496452 QWMNBQVHXTULDG-QFIPXVFZSA-N 435.616 4.599 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCOC[C@@H]1C 1690500134 MLBHTBATLSVPBA-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccccn1 1690500431 VNOZJLDAOVSKMS-SFHVURJKSA-N 437.613 4.756 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1nc(C)cs1 1690607502 OAXZJBOSCCNEIY-XLIONFOSSA-N 441.601 4.916 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCC(OC)CC2)C1 1690707463 XABUQTCQXGJNGV-VTLFHKLASA-N 445.007 4.509 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1692346347 BRADJRKPQBOTLI-KBMIEXCESA-N 434.588 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](CC)c1ccccc1 1705480579 TUECPLSIVMKMPB-DLBZAZTESA-N 440.389 4.698 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C1CCCCC1)N(C)C 1705484953 ZTFZZVXGXZVDOT-IIBYNOLFSA-N 431.987 4.706 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCc1csc(C(C)C)n1 1705624780 OMNFYQDKTXYDSV-UHFFFAOYSA-N 444.004 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(CC(C)C)c1C 1705712496 VYDIPCIDHIMEET-UHFFFAOYSA-N 427.984 4.605 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cccnc2OC)CC1 1705777054 WFLLSUIUEKLFRY-FQEVSTJZSA-N 447.583 4.889 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(CC)CC)N(C)C)CC1 1705782902 LRTRSSVXNQTQOO-HSZRJFAPSA-N 427.612 4.777 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1705797611 ZBBQZSJFEYCQFR-XUZZJYLKSA-N 431.584 4.953 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)C1CCCCC1 1705878347 YZVSDRNJWTVCET-HHHXNRCGSA-N 445.611 4.907 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1C[C@](C)(O)c1ccsc1 1707642163 FCOWBTHJJONYSM-DEOSSOPVSA-N 437.613 4.989 30 10 IJEE COCCC1(Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1712334759 FVGVWAFHHPNAMG-DEOSSOPVSA-N 437.588 4.681 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1722316480 DSVDIJMKQIWAPA-UHFFFAOYSA-N 440.378 4.937 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1722455466 UGCQHQNVNDPDKA-INIZCTEOSA-N 441.988 4.566 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N(CCC(F)(F)F)CC1CC1 1722457310 WNFHVRSWIYQLGP-UHFFFAOYSA-N 426.483 4.619 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722524647 IYTQKGNISHIHFX-UHFFFAOYSA-N 447.583 4.801 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 1722568483 OFJARHIFTXCZRB-RBUKOAKNSA-N 431.378 4.993 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCSC2(C)C)CC1 1722575382 HGZGEUOEBUDSMG-IBGZPJMESA-N 442.629 4.896 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=C)Cl)CC1 1722577347 DGLJCTRALBILGX-GOSISDBHSA-N 436.000 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722587501 QRZGBSMWOBRSPU-UHFFFAOYSA-N 447.583 4.720 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1722599313 CDLQUNSRRPWDHH-UHFFFAOYSA-N 445.493 4.753 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722613445 XRRZSIHULCKFHW-LSDHHAIUSA-N 437.407 4.598 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCOC1)C1CC1 1722654518 YVDJLPFLOVBWKV-HNNXBMFYSA-N 437.371 4.745 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OC1CCCC1 1722668573 SSVSYDWXRQWNTQ-UHFFFAOYSA-N 440.551 4.760 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1CCc1ccc(OC(F)(F)F)cc1 1723777562 GPCIRRWTJXQYFT-MRXNPFEDSA-N 435.494 4.890 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1740569185 DKYDQMPGFAWUTM-UPVQGACJSA-N 444.627 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C(CC)CC)N(C)C 1740728268 SUPOHGLCAYVKKQ-XUZZJYLKSA-N 428.024 4.957 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1740756004 DVIUJRRLHNSWEW-LEDOBFOHSA-N 435.547 4.966 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740783007 CSFMUPFPTCPGCF-JOCHJYFZSA-N 437.632 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cnc(C)s1 1740846626 FYRVHAHZLKOLID-UHFFFAOYSA-N 441.601 4.966 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)C1CCCCC1)c1ccccc1 1740853367 BSYPIVFSEHWPEG-VJBMBRPKSA-N 435.616 4.994 30 10 IJEE C=CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)C)c1ccccc1 1740854195 LYQPKWKLWCKISX-LJQANCHMSA-N 435.572 4.848 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740860834 RSIIFZAPXMUZLT-YLJYHZDGSA-N 430.980 4.969 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCOC2(CCCCCC2)C1 1740883384 RRANQYQOUGPZJH-UHFFFAOYSA-N 428.552 4.607 30 10 IJEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1740897818 VYMWSSYWEAVVIK-UONOGXRCSA-N 432.450 4.510 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCNc1ccccn1)C1CC1 1740906569 IOTMXQZKZJHTAS-UHFFFAOYSA-N 426.927 4.790 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740914848 LOFDJLRHMJEXHB-YPAWHYETSA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCCCC1 1740921591 AWYBMIFUZAHNOU-UHFFFAOYSA-N 438.645 4.802 30 10 IJEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[C@H]1CCO[C@@H](C)C1 1742941988 DKDWMXDODPLZCV-PMACEKPBSA-N 437.588 4.526 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](OC)C1 1748702345 CXWHGWKXHJXJKD-NRFANRHFSA-N 434.540 4.536 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@@H](OCC)C(C)C 1748917637 GUJQONMHXTXHSW-HXUWFJFHSA-N 447.421 4.927 30 10 IJEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](SC)C(C)(C)C 1748949687 IHTKENJAEZKXJF-OAQYLSRUSA-N 440.657 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC1(C)C 1749056863 WCJMPYDWDKHLSY-LHSJRXKWSA-N 431.353 4.885 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1749146869 QDEHLHJDZJZAML-GOSISDBHSA-N 431.581 4.798 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749395686 NJWRLRZBEUXXQM-SFHVURJKSA-N 427.568 4.572 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 1749527666 MWDSJRJGZGKCHT-VGOFRKELSA-N 428.964 4.647 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCCC1(C)C 1749532010 PGVLPRHUEPQZLD-AREMUKBSSA-N 435.616 4.872 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCOC1 1749544411 HFFTVFQYPYMRNZ-CZTZKLFOSA-N 442.579 4.565 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(C)C)C1 1749719010 LNROCKUQMWXLMB-QGZVFWFLSA-N 439.387 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1C1CCCCC1 1760120540 NHLXODIPXGYEDC-RCZVLFRGSA-N 433.644 4.708 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1Cc1cscc1C(F)(F)F 1760123687 KCSLKGLFRLSJBO-OAHLLOKOSA-N 434.487 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H](C)SC 1760288573 GNOVSTVVDCNBNN-PMAPCBKXSA-N 428.602 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1760297367 PZHXHMWWBILNRY-HHHXNRCGSA-N 443.595 4.676 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760352816 YVXGDVCBFSAYMK-BAGYTPMASA-N 442.604 4.631 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 1760361317 WCPALPBNWMVFMV-RCCFBDPRSA-N 444.542 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](OC)C(C)C)CC1 1760384446 XWQYPYTTZZDWLO-LJQANCHMSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1760408191 FDGACTPKAHEEPY-OAQYLSRUSA-N 446.039 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1760415562 CZAWMIIEJUZCLX-KRWDZBQOSA-N 447.649 4.749 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760434718 KMISAHHMJLVWEY-UHFFFAOYSA-N 443.020 4.965 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN1CCCC1 1760456285 LGSGOPVTAOENJP-GOSISDBHSA-N 432.012 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)c(C)s1 1760486545 RDXSVKPWDMXGQT-SFHVURJKSA-N 429.615 4.895 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCN(C(C)C)C1 1760492696 CJYKKTGFFOLHEM-OAQYLSRUSA-N 432.616 4.736 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)c1ccccn1 1760496965 MTOCGJAXFQQYST-UHFFFAOYSA-N 426.568 4.832 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCS[C@@H](C)[C@H]2C)cc1 1760531553 SFNXKJSMJFCXQE-MOPGFXCFSA-N 426.630 4.954 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H](c2ccccc2Cl)N(C)C)C1 1760534749 FWIZPXKVZXMMPF-DBXWQHBBSA-N 432.012 4.529 30 10 IJEE CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(C)cc2)cc1 1859417163 DCOZHSWIJVUJIF-UHFFFAOYSA-N 449.514 4.989 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1OCC 1860728285 GUTFDFQCVFBCSE-UXBLZVDNSA-N 445.899 4.535 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C1CCN(Cc2ccccc2F)CC1 1861183082 XQNRKQCLOBGVIB-XMMPIXPASA-N 445.623 4.505 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862437892 BFEYQKFFQZVREF-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862445920 HHRKMILUTBMAPE-IBGZPJMESA-N 442.302 4.538 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(O)c1 1862489592 CWGPUFMIIGEOFQ-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862501823 LJIBIOSJJOOSNV-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(F)c1 1862525057 TWSTYBUBTOFMGT-XIKOKIGWSA-N 432.289 4.965 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(O)cc2)cc1 1862528984 AOXPIFWBPSVVMW-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1cccc(Cl)c1 1862591557 JINZEDZNNPKKCY-OAQYLSRUSA-N 443.927 4.831 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccccc1F 1862617328 VEZCUXNRBDOTLS-NRFANRHFSA-N 425.500 4.738 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2 1862628182 XMNJAWIPFAVVHC-FQEVSTJZSA-N 425.868 4.590 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862643177 MBMXNMCYITZBBY-SFHVURJKSA-N 437.389 4.841 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2F)cc1 1862689794 ZRMVICNGZFINNT-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2cccc(OC)c2)c1 1862703906 ZVYRFRNYHXOBOS-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCCCO)cc1 1862714954 IJJVVANANPPGIA-DEOSSOPVSA-N 445.515 4.589 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2F)c1 1862735493 MGIYFUMNJRRHAX-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CC[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1866757636 OCODZNFXLVJSPN-XMMPIXPASA-N 447.485 4.892 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCC(O)CC2)nn1-c1ccc(Cl)cc1 1870062416 PXNXJVNMVYHOJG-UHFFFAOYSA-N 433.984 4.571 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2c(C)cccc2C(C)C)cn1CC=C 1870401209 GVCQLMYAVCFPSS-UHFFFAOYSA-N 449.595 4.658 30 10 IJEE CCCCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CC(O)C1 1870617052 TYEGFFWQNNNYME-UHFFFAOYSA-N 444.591 4.884 30 10 IJEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870813648 VHTPZQDLNAGUMP-UHFFFAOYSA-N 449.507 4.553 30 10 IJEE CCCCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)C1 1871355539 DLUVONGQYPGRPN-HAHDFKILSA-N 437.536 4.979 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)c1 1871425988 SEFPMQFGSMZUQS-QZDMBBGESA-N 449.459 4.627 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCC 1871800007 YQZSUTVEYQQBEC-RDTXWAMCSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1cccs1 1871973884 FKKBKTFXQGLLOE-NRFANRHFSA-N 444.553 4.834 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 1872111766 CODUXABFCILRAF-INIZCTEOSA-N 440.915 4.550 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)CCC 1872289290 RKEDNZFZCQABHV-HSZRJFAPSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 1872372902 DILIHLZPWHBXKW-NRFANRHFSA-N 436.524 4.729 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872373810 WSZWUEFSMLHTNF-NRFANRHFSA-N 436.524 4.647 30 10 IJEE N#Cc1ccccc1NC(=O)C[C@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1 1873868870 UXPUOAIIBPFYQE-HXUWFJFHSA-N 429.907 4.980 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccccc1OC 1874236419 IKONJKHQYVLWHW-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCOc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCC)cc1 1874296817 UOBHRXYPYNGYPA-XQNSMLJCSA-N 439.541 4.950 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OC)c(OC)c1 1874379954 UUJUCOALYYNKBU-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1c(F)cccc1Cl 1874425083 QPTHARLMZILJQY-UFFVCSGVSA-N 438.937 4.727 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2/N=C/c2cccc(OCC)c2)o1 1874513194 LPSDWAZDYLPAAK-YDZHTSKRSA-N 442.541 4.744 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2cccc(Cl)c2)cc1 1874516480 ZIZUBPZKZSFGJU-ZMOGYAJESA-N 439.972 4.984 30 10 IJEE C[C@@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCO2)c1ccccc1 1874582918 NMIXTRWLIYLHMP-IYPOZPNPSA-N 429.472 4.568 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 1874751830 AUCZKDMCOOHIAP-UHFFFAOYSA-N 428.536 4.746 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(CCCOc3ccccc3)nnc2s1 1874782787 KBQZOTCSUJCUQG-UHFFFAOYSA-N 443.617 4.607 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC4CCCC4)nc3)cc21 1890633444 WYIHLJAPQRSCLZ-UHFFFAOYSA-N 435.524 4.593 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Cl)c(Br)c2F)NC)C1 1892691637 NYSWIVSMUZZBIX-CQSZACIVSA-N 447.776 4.986 30 10 IJEE C=C(COCc1ccccc1)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(C)CC1)NCCC 1922073364 CSAGFRSBIVKUQB-QHCPKHFHSA-N 445.648 4.507 30 10 IJEE N#Cc1cc(F)c(NC2CCN(C(=O)OCc3ccccc3)CC2)cc1Br 1948160765 YAHGDJVIQKPSSX-UHFFFAOYSA-N 432.293 4.673 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1950517880 SPLOYZBPFQAONY-IERDGZPVSA-N 436.557 4.901 30 10 IJEE C#Cc1ccc(C(C)(C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1952483039 YNYSCQSKHIJGRU-RUZDIDTESA-N 439.511 4.937 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2037745657 KBTQRXIBSCISMH-ZEQRLZLVSA-N 449.592 4.618 30 10 IJEE COc1cc(C=CC(=O)c2ccc(C#N)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 2053622278 SLBIPYHPHKORSW-UHFFFAOYSA-N 433.485 4.539 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C#N)c2I)c(O)c1 2079013774 QHPHXJUZLOTYFU-QGZVFWFLSA-N 447.320 4.814 30 10 IJEE CCCOc1ccc([C@H](n2nc(C)c(C#N)c2I)C2(C)CC2)cc1 2080118757 ZHGZFPUBUVPGRM-KRWDZBQOSA-N 435.309 4.846 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c2nsnc12 2137388854 CRIDPRFSNCQNPH-KBPBESRZSA-N 441.395 4.574 30 10 IJEE C=C([C@H](NCCC)[C@@H](O)c1scc(Br)c1Br)C(F)(F)F 2150568180 RHQTUXSYSQXPSD-VHSXEESVSA-N 437.119 4.793 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCCC 2159120354 GIAZCKHSBGXDMZ-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180863778 FHNGZLOQFOAVEM-XJKCOSOUSA-N 436.350 4.541 30 10 IJEE C[C@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181142519 XFSNTYZSRSQMDW-RNODOKPDSA-N 436.350 4.733 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C 2220388377 QXDLLISVYTVYPN-OXPRRSNCSA-N 446.632 4.524 30 10 IJEE Cc1ccc(C#C[C@H](O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2223327697 BUQHKLJRJVWJLW-IGKIAQTJSA-N 435.564 4.551 30 10 IJEE O=C(C#Cc1cccc(Cl)c1)c1ccc(I)c(Br)c1 2231074915 WGZUFJRQJHDGOI-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Br)nn1CC1CC1 2233326154 WOOVOGMHUZPJMY-QAPCUYQASA-N 441.414 4.566 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2235729396 SKQYPJMIYKQBAF-IEBWSBKVSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 2235745984 GRQQLIUIUHFDSE-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE Cc1cc(Br)c(CN(C)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)s1 2237642320 SNYJSXXLZLVOAX-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)ccc21 2267113496 UQHXGLFTVOXTPE-CALCHBBNSA-N 442.365 4.795 30 10 IJEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267271017 PDMRDNGAZBMBST-GOSISDBHSA-N 448.397 4.846 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2268638816 KMYTXAIDUPVQLC-SFHVURJKSA-N 446.328 4.623 30 10 IJEE C=CCCC1([C@@H](N)Cc2c(F)cccc2Br)CN(C(=O)OC(C)(C)C)C1 2273837706 FIONSWFEFSERQW-KRWDZBQOSA-N 427.358 4.661 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2279430028 NWIKHMBZJQMKJB-SXLOBPIMSA-N 435.406 4.670 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2281811699 IFEDXKHTNUNSQE-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)[C@H]2CCC[C@@H]1C[C@H](N)C2 2285955126 PKPDSWVXTBPRTO-SFTPYQMYSA-N 434.378 4.990 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H](CC)CN1C(=O)OC(C)(C)C 2296296874 SPOGTJUTHYTUQD-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCC[C@@]1([C@@H](C#Cc2ccc(Br)cc2)NC)CCN(C(=O)OC(C)(C)C)C1 2296306679 KOISYGGGZGVILX-DENIHFKCSA-N 435.406 4.816 30 10 IJEE SCC1(COc2cc(Br)cc(I)c2)CCCC1 2301131952 SNEURIBSIPNWFX-UHFFFAOYSA-N 427.145 4.923 30 10 IJEE COc1ccc2c(c1)OC(=Cc1cccc(OC(=O)c3c(OC)cccc3OC)c1)C2=O 2314527359 SCCOWBCGBARNAF-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CC(C)(C)OC(=O)NC1(CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2317334972 AKGQSTGYXABQGS-UHFFFAOYSA-N 430.354 4.552 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OC(=O)c4ccncc4)cc(C)c3C1=O)cn2C 2322828377 UMDIDPXBWQBROP-UHFFFAOYSA-N 440.455 4.726 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)cc(C)c3C2=O)cc1 2323168817 DZXBRKCZACXZNI-UHFFFAOYSA-N 430.412 4.610 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2ccc(C)cc2C)ccc1OCc1ccccc1 2323419595 ACYAERXXPFJTCV-UHFFFAOYSA-N 438.549 4.594 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2324080998 KKEPOFTYEGHMEQ-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE N#C[C@]1(Cc2ccc(I)c(Br)c2)CCC(F)(F)C1 2325257110 SJOZEZZBVTWKIS-LBPRGKRZSA-N 426.042 4.925 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 2325559029 QSOHGNGAMSIZRN-UHFFFAOYSA-N 447.487 4.512 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 2325628083 KMYAJTRBRQCZHY-CQSZACIVSA-N 448.406 4.756 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc([N+](=O)[O-])cc1 2326058029 FHSWJPBXGJZDON-UHFFFAOYSA-N 445.932 4.846 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1ccc(CC)cc1 2326202934 XMEUJIRFQNSLAU-UHFFFAOYSA-N 436.581 4.803 30 10 IJEE COC(=O)c1cccc(CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)c1 2326752390 XKHGCZMHBSENKB-UHFFFAOYSA-N 435.336 4.854 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccc(Br)c1 2328475908 YSFBPBHIAJQVRN-UHFFFAOYSA-N 446.330 4.534 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2cccn2C)cc1 2328572169 XQESXCFKMJKDTL-UHFFFAOYSA-N 449.555 4.724 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 2328742677 BPOIPLMVNMEUBM-UHFFFAOYSA-N 437.525 4.748 30 10 IJEE CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cc(Cl)c(O)c(OC)c1 2328836735 DPAPJKMVKUGUCN-UHFFFAOYSA-N 446.960 4.836 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1cc(OC)ccc1OC 2329662247 NMGKCDFOIQQQMN-UHFFFAOYSA-N 428.583 4.692 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1C 2330867432 PRDHRJYKIPKHHJ-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCCO)cc1OCC 2330879154 HVMVNJJDINYOGN-UHFFFAOYSA-N 448.633 4.801 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)cc(Br)c1OC(=O)CCOC 2331182957 OWOJHWOQJWIQGI-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE Cc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])c1 2331400804 XAVKTKOXFNQCFB-UHFFFAOYSA-N 445.427 4.790 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2c[nH]c3ccccc23)cc1 2331442535 FRNZKKXPNQTAAU-UHFFFAOYSA-N 446.580 4.879 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2ccccc2C)nnc1C1CC1 2331725026 NIYGPQKDDIQKCJ-UHFFFAOYSA-N 438.553 4.664 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OCCCCC[C@H](C)NC(=O)OC(C)(C)C)n1 2337046843 XUXSLFDNUBQBDZ-KRWDZBQOSA-N 448.413 4.542 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339545472 WRMSPFPNXINQJY-UUOWRZLLSA-N 441.381 4.538 30 10 IJEE C=C(I)COc1c(CNC2CCC2)ccc(C)c1Br 2352951169 CVLGJYIAZWXFMO-UHFFFAOYSA-N 436.131 4.727 30 10 IJEE C[C@@H]1CCC[C@H]1N[C@H](C#Cc1ccc(Br)cc1)CCNC(=O)OC(C)(C)C 2367594863 RFPBSYDUKREPRQ-NSISKUIASA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@@H](N)C#Cc2ccc(Br)cc2)C1(C)C 2370456032 MHGKOZRGKPCSGJ-NZSAHSFTSA-N 435.406 4.848 30 10 IJEE N#Cc1ccc(Br)cc1N[C@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2378881916 CSHRHNFDPKMBEN-TZIWHRDSSA-N 429.314 4.715 30 10 IJEE Cc1ccc(-c2nc(/C(O)=N/c3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)cs2)cc1 22302261 WGSYJLGIAKQPOG-GASCZTMLSA-N 428.583 4.821 30 10 IJEE COCOC(C)(C)C#C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@@]21C 26522231 KZCGXVQSDRGSNX-TYYSNJPOSA-N 442.596 4.828 30 10 IJEE COCc1cc(C)nc(N/N=C/c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc2O)c1C#N 27497223 BKHUWNIHDKFDPP-SMUXYBERSA-N 445.439 4.883 30 10 IJEE N#C[C@@H](c1nc2ccccc2s1)c1cnn(Cc2ccccc2Cl)c(=O)c1Cl 27643869 FNEFJPRJQJHVSI-CYBMUJFWSA-N 427.316 4.864 30 10 IJEE Cc1cc(C)cc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCCc2c(C)nn(C)c2C)c1 32973682 SZGZLCBPUMASEA-UHFFFAOYSA-N 437.975 4.748 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCOC)cc1 38705211 BHNVRCCLADPTSW-RUZDIDTESA-N 447.535 4.546 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1)c1cccs1 59038782 BOLXSBAVOMBODA-ZVBGSRNCSA-N 441.369 4.740 30 10 IJEE NC1=C(c2nc3ccccc3s2)C(=O)CN1CCSC12CC3CC(CC(C3)C1)C2 64838242 MDPQOHHLGKITJM-UHFFFAOYSA-N 425.623 4.510 30 10 IJEE Cc1nc(NCc2ccccn2)nc(N)c1C#CC(C)(C)c1ccc(C(F)(F)F)cc1 96564008 ZYLJYURNKGFWCX-UHFFFAOYSA-N 425.458 4.722 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc([N+](=O)[O-])c1OCC 169940964 UJDKNLKBCJGPLU-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCCCC2)C1=O 170051486 FJIOGPKMCCGEDR-UHFFFAOYSA-N 425.573 4.571 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(N(C)C)cc1 170129609 JRYUICQICXSIHY-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)c1 170144172 IAZKCIUTIMNTPO-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccs1)c1ccc2c(c1)CCCO2 170155924 RECHDNGICAGBFL-NRFANRHFSA-N 435.476 4.995 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccn2)cc1 170169498 UEZZTPITPXUIEK-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2)cc1C 170234718 MLDROBHYBDKYLB-QFIPXVFZSA-N 439.471 4.663 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2C)cc1C 170271908 IZSQPNFEPWGQGL-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2C)c1 170274481 HGDVLXGFFDKRKJ-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccco1)c1cc2ccccc2o1 170297386 IYUGIWKQPIFRIL-FQEVSTJZSA-N 425.400 4.685 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2OC)c1 170333091 NGXQCJMISFEZJA-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccncc1)c1cccs1 170356703 REQYIXJNRHLIMM-KRWDZBQOSA-N 446.406 4.825 30 10 IJEE COc1ccc(N=C(C)c2c(C(F)(F)F)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 254307065 DCWDSMFUKRCKPN-UHFFFAOYSA-N 432.427 4.943 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C 440685186 RKRFLOVIEHTVCS-DHLKQENFSA-N 433.527 4.921 30 10 IJEE Cc1csc(NC2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)n1 474812285 PRLFBMIFXWXVIG-UHFFFAOYSA-N 436.512 4.971 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 476124226 SLCGEJLDSCANTQ-UHFFFAOYSA-N 444.597 4.830 30 10 IJEE N#C[C@@H](NC(=O)CCc1cc2ccccc2nc1O)c1ccc(OCc2ccccc2)cc1 502941121 OCKZIMSFSAPESY-RUZDIDTESA-N 437.499 4.833 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 504067292 FWIZPWYROBHENW-IBGZPJMESA-N 429.520 4.595 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)[C@H](C)C4)[C@@H]3C[C@@H]12 504285252 NXYQZNKEFFIDPK-UWFSUSOLSA-N 438.612 4.520 30 10 IJEE biogenic C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)c2ccccc2)CC1 508481428 QPQZHOQZTCNNAP-UHFFFAOYSA-N 425.536 4.722 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 508508149 VQPZBHJFPFBNRR-XLIONFOSSA-N 431.506 4.603 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 508858238 QONRWUCWYOIRJZ-UXHICEINSA-N 435.597 4.816 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(F)(c2ccccc2C(F)(F)F)CC1 508895926 QFSDMHRDKUFGPL-UHFFFAOYSA-N 445.464 4.934 30 10 IJEE C=CCNC(=O)c1ccc(NC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)nc1 524230983 XECDXKDRRASZED-DYESRHJHSA-N 432.490 4.511 30 10 IJEE COc1cc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526517723 VLQGTQCTWJYXHA-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(SCc3ccco3)C2=O)cc1 526666388 AIKZZJNAQHKEHG-UHFFFAOYSA-N 445.500 4.680 30 10 IJEE COc1ccc2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc([N+](=O)[O-])cc1 526829047 WCOLDLBGYNBVHF-QRVIBDJDSA-N 433.493 4.831 30 10 IJEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2[nH]c3ccccc3c2C1 562030130 WWJZZYVDIJEJSE-UHFFFAOYSA-N 429.524 4.582 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 569173271 NIIHSPRIKVVQPD-VQIMIIECSA-N 436.487 4.813 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 583016620 AMGQEDFFAJDOBN-HSZRJFAPSA-N 443.551 4.895 30 10 IJEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H]1c1nc2ccccc2s1 583111701 APRZXUHLTFARAZ-KRWDZBQOSA-N 431.521 4.811 30 10 IJEE C=CCC1([C@@H](N)Cc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 722904677 AMZSITJOBDZVBO-HNNXBMFYSA-N 429.786 4.786 30 10 IJEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 732595989 GOZDIFHUCVPQJP-DNVJHFABSA-N 440.499 4.725 30 10 IJEE C#CCN(Cc1nnc(-c2ccc(C)cc2)o1)[C@@H]1CCOc2ccc(Br)cc21 733195428 NFUZMGAXZLYVLL-LJQANCHMSA-N 438.325 4.767 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(C(C)C)c1 733201036 IXKAEZFNTJNDAS-JOCHJYFZSA-N 449.576 4.802 30 10 IJEE CCO[C@@H]1C[C@]2(NC(=O)N(c3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)C2=O)C1(C)C 771821274 YVIOEBDMFOYXSN-MFSJNOQSSA-N 437.927 4.625 30 10 IJEE N#C[C@H](C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1cccc(Cl)c1 786534725 MGUGBRMUMZWHNC-KGTJKXQDSA-N 441.236 4.964 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)SC1=Nc1ccsc1 790738141 YHESKQNBLLOXLU-INIZCTEOSA-N 435.933 4.524 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C 804464952 XKCUXTZPFLQWGY-SFTDATJTSA-N 434.577 4.540 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1 805272270 KIOXVQMTORTCNO-NRFANRHFSA-N 439.515 4.937 30 10 IJEE C=C(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccc1 807797715 JTYISLZUIXWEFO-IBGZPJMESA-N 429.948 4.829 30 10 IJEE CC(=NNc1nc(SCc2cccc(Br)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1084425650 DRZCBHLFSSDLMM-UHFFFAOYSA-N 447.318 4.604 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(F)c(OC)c1)c1ccc2c(c1)OCO2 1124212856 VZVOHGIXFCLVKS-UHFFFAOYSA-N 435.451 4.975 30 10 IJEE C=CCN(C(=O)C[C@H](C)NC(=O)OC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124413082 BHKNRWSFKDVFRK-AWEZNQCLSA-N 446.529 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1C#N 1125562344 DSEPTKGJPRQIBI-LJQANCHMSA-N 435.524 4.870 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1 1126382195 GZVUMIKKQWDSSA-XMMPIXPASA-N 439.515 4.927 30 10 IJEE C=CC[C@]1(C(=O)N2CCN(CCC)c3ccc(F)cc32)CCCN1C(=O)OC(C)(C)C 1128704442 KHCSJUSKPBPUGW-XMMPIXPASA-N 431.552 4.735 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H]2Cc2ccccc2Br)c(OC)c1 1130055046 CGIFVOIRPQIMDT-LJQANCHMSA-N 444.369 4.799 30 10 IJEE C=C(Cl)C[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OCC 1132192520 JERRVRZSDKIMKA-NNTXTVRGSA-N 443.771 4.928 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)c3cccn3-c3c(Cl)cccc3Cl)CC2)cc1 1135508793 AKEXRHDINJAYEL-UHFFFAOYSA-N 439.346 4.614 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccccc2)c1 1144992915 OMUKNOMCHLJXDF-HXUWFJFHSA-N 425.529 4.740 30 10 IJEE C=CCNc1ncc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)s1 1152598034 NLCNVFFAFUINAL-SJLPKXTDSA-N 429.586 4.979 30 10 IJEE C=CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C(=O)OCC 1154004150 ICAOODMQJBZTBX-MRXNPFEDSA-N 434.901 4.637 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1OC 1154584221 XWBNNNLUKBINNU-RLVMRWSYSA-N 448.346 4.697 30 10 IJEE COc1ccc([C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)c2ccc(OC)cc2OC)cc1 1208345904 FNUKPSWWSRDWAT-HSZRJFAPSA-N 435.455 4.634 30 10 IJEE C=CC[C@]1(C(=O)NCCCCOc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1264294988 OSTUEWUNPQVTCQ-HSZRJFAPSA-N 436.980 4.961 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)nn1 1264905361 SHNOMSNTWJOLKO-UHFFFAOYSA-N 449.898 4.994 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1269214839 KEOQCMYBYCURAY-UWJYYQICSA-N 433.470 4.998 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@](C)(CC)O1 1286273991 KDRBQEWJJGNJEF-KLHJMIIUSA-N 431.378 4.513 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286317438 FUGDHYWZNGAGBU-MRXNPFEDSA-N 436.478 4.545 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286341661 HOBLHVKCTBRZNF-WOJBJXKFSA-N 434.506 4.781 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)C1CCCCC1 1286499412 HJHKKJSJEMCZFZ-UHFFFAOYSA-N 436.423 4.561 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1286620109 FZTAQTXOENMTFB-VGSWGCGISA-N 429.952 4.699 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1286626782 JGSXHZYCSSTVDM-OAQYLSRUSA-N 432.959 4.732 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286667986 NYDZNOLRYIPDQM-ZWKOTPCHSA-N 444.551 4.549 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286676205 IQHPIQDZCFLYIM-OAQYLSRUSA-N 444.542 4.700 30 10 IJEE C=CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CC)C1)c1ccccc1 1286681989 ZNQOZGMWYIBCRK-CTNGQTDRSA-N 449.624 4.866 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2=CCCCC2)C1 1286800351 JWWYYRUNEFDKAX-QUCCMNQESA-N 426.536 4.839 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nccn1C(F)F 1286960485 GCKWAQWXGRUJIE-AWEZNQCLSA-N 445.543 4.511 30 10 IJEE C#CCC1(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CCC1 1289151125 PHFONOOXJWZENU-UHFFFAOYSA-N 448.950 4.905 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2ccncc2)cc1 1293114603 BWEHRTKQWXKWGA-LJQANCHMSA-N 431.920 4.635 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C 1298076599 VPZPTDNIFLYMKT-ZWKOTPCHSA-N 440.625 4.889 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O)c1ccccc1 1299868932 CLBWZJUJTVRSJC-FQEVSTJZSA-N 449.304 4.511 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1300398975 DPMBFAXQNXRHJY-GOSISDBHSA-N 440.016 4.957 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccccc2)CC1 1300843157 CLJLDFBDBUWRPN-IBGZPJMESA-N 431.378 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCO[C@@H]1C(C)C 1300924649 GMYFBHQQPLFWCS-AUSIDOKSSA-N 430.568 4.850 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCSC(C)(C)C1 1300935085 HVQWFMOHNHJERC-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccc(C)o1 1300980172 DXXXTTNRGWXZJS-UHFFFAOYSA-N 430.936 4.738 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCN(C)C1CCCC1 1301339770 SRFWQYNNSRWPET-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CCc1ccncc1 1301359436 KDRPDNXNIQDNBD-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CSc2ccc(C)cc2)n1CC1(O)CC1 1301365517 RSPJVLNZCSRMFB-UHFFFAOYSA-N 426.611 4.658 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCOc1ccccc1F 1301436280 YWWJETBNZSHRMJ-INIZCTEOSA-N 426.561 4.972 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=C)Cl)C1 1301542738 QPYFAJJLUMLFIV-INIZCTEOSA-N 437.769 4.550 30 10 IJEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)CCOC1(C)C 1305239483 BKIHKZNRUWOSEA-VQIMIIECSA-N 429.515 4.646 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(CC(C)C)C2)C1 1305864393 CNBQJZUSARNDBJ-ATIYNZHBSA-N 434.632 4.811 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)N[C@H](c3ccccc3C(F)(F)F)C(F)(F)F)C2)cc1 1310586488 FBVBHFVZJIZAEU-QGZVFWFLSA-N 443.347 4.653 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1)c1ccccc1 1312333998 GEAPKPVEJYQITK-ZJSXRUAMSA-N 437.559 4.961 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C1=C(C)OCCS1)c1ccc2c(c1)OCO2 1347910299 RYZNNBZIDGVIQS-UHFFFAOYSA-N 425.506 4.508 30 10 IJEE C#CCOc1ccc(C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1 1349344038 ORLKUELIPWQELC-UHFFFAOYSA-N 435.501 4.865 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c(C(=O)OCC)c1C 1352792781 FGMGHAOGJINKIK-UKRRQHHQSA-N 449.475 4.596 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 1358077165 IWNIVILRLOVAFN-QHCPKHFHSA-N 428.454 4.741 30 10 IJEE C#CCCCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(Br)cc1Cl 1358918056 JUWDTDXHKYURQI-UHFFFAOYSA-N 433.741 4.642 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ccsc1 1358983839 YAKYRLFVKHAPJC-UHFFFAOYSA-N 426.998 4.601 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CC1(C)C 1359018822 DEQWHVLUUSXITR-HNNXBMFYSA-N 428.989 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)N1CCCCCC1 1359064998 FUDAGCXJAJSLLL-YIXXDRMTSA-N 447.627 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCOCC(=C)C 1359065520 SNJWYUPKMZWIKE-RUZDIDTESA-N 447.608 4.962 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1359082289 DXRZXFZLLBVPBS-SFHVURJKSA-N 447.377 4.813 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1359096422 BKHJPLMRVJBKAT-QKLQHJQFSA-N 440.617 4.779 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1359108811 DOQJVJVWNAUWDF-RTBURBONSA-N 446.039 4.889 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CCC=CO1 1359115841 OTMCCCVUTSAJQD-IBGZPJMESA-N 447.377 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCOC[C@@H]1C 1359267545 KDUJJQCKDUQKOZ-HOTGVXAUSA-N 449.368 4.698 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(CN(C)C(C)C)CC1 1359285131 ICOVJJIUQSGIKO-UHFFFAOYSA-N 449.599 4.860 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@@H](OC(C)(C)C)C2)nnc1C(C)(C)C 1359310804 HKFLYXCICUXAIO-HXUWFJFHSA-N 426.605 4.973 30 10 IJEE C#C[C@@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)c1ccc(Br)cc1 1436650678 CRNYXBSKZXHTML-GOSISDBHSA-N 433.733 4.801 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 1437445882 VPFVUDDEASGOKI-UHFFFAOYSA-N 433.426 4.915 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)CC1 1439012461 HJCDGRWQNHAPQO-RHDGDCLCSA-N 425.326 4.623 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 1441502530 VRTIEIDGYKULNR-XJKSGUPXSA-N 445.785 4.532 30 10 IJEE COc1ccc(-c2nc(SCc3cc(Br)cs3)nc(O)c2C#N)cc1 1458830322 UCSCHXJJGJPSOH-UHFFFAOYSA-N 434.340 4.846 30 10 IJEE COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cc(Cl)cc(C#N)c2)cc1 1459119938 ATMXAHQOGIDYRU-DEOSSOPVSA-N 445.906 4.977 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](c3ccccc3F)C2)n(C2CCCCC2)c1C 1459424438 HGFLMOIQOGMSJV-QHCPKHFHSA-N 438.547 4.633 30 10 IJEE C#CCCCS(=O)(=O)N(C)[C@@H](c1cc2cc(Br)cc(C)c2o1)C(C)C 1463414630 VDXNNYKBXUAGLU-GOSISDBHSA-N 426.376 4.876 30 10 IJEE CCOC(=O)N[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)CC(C)C 1465762978 HIHAOTUBMVPAML-SFHVURJKSA-N 442.491 4.772 30 10 IJEE CC(C)(C)[S@@](=O)CCNC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1466941267 CEHBIGXYKBFBNM-NDEPHWFRSA-N 436.393 4.645 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(Br)cc1 1468450284 DPTZNEMWFZUXDR-FGZHOGPDSA-N 437.381 4.542 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)OC(C)(C)C 1471454893 CAOKWLAYWJIPGC-FGZHOGPDSA-N 439.531 4.714 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1472011690 UNAYXYHKJRGAHG-GOEBONIOSA-N 442.478 4.693 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(OC)c2)nnc1-c1cccc(Cl)c1 1473008855 JQLUKWSTLVVJTI-GOSISDBHSA-N 429.929 4.800 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1OCC 1474216534 XHVDKSWULAQXEM-JRGCBEDISA-N 432.333 4.980 30 10 IJEE C#CCN1CCC(NC(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)CC1 1478507645 RTFMNZHEZZVCCA-UHFFFAOYSA-N 432.351 4.683 30 10 IJEE Cc1csc([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)n1 1492637995 BTCNCRXYXQAQHR-GOSISDBHSA-N 434.613 4.762 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1F 1507597088 UABJIUZXLJDFNF-FQEVSTJZSA-N 441.551 4.539 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccco1 1507797216 RRKBIRIYVXQRBD-IERDGZPVSA-N 442.947 4.818 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1507803612 CDJYVTCBLNQITJ-SJHHWCTQSA-N 438.616 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(NC(=O)CCC)cc1 1507819336 PTIJJHWCGWVWAZ-NRFANRHFSA-N 425.577 4.709 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@H]1C 1507837957 YAQTVWQUWSPMID-QZTJIDSGSA-N 448.995 4.668 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(Cl)c(OC)c2)CC1 1507901703 OMSJSHDOTYAMDI-UHFFFAOYSA-N 437.975 4.571 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1507934382 FFTADKNTKSVMTQ-OAQYLSRUSA-N 439.604 4.529 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCS1 1508012202 SGWZMGJBKXMADJ-ZDUSSCGKSA-N 425.421 4.843 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](c1cccnc1)C(C)C 1508020044 NKQQDOCPJYZTAJ-URXFXBBRSA-N 445.567 4.804 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1CC2(CCOCC2)C1 1508038507 QRMKHEABDRZFDC-UHFFFAOYSA-N 448.970 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CC[C@H](F)C2)C1 1508131217 YWZCGKHYWSTFRU-SLFFLAALSA-N 430.593 4.798 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC[C@@H]1C)c1cccnc1 1508863144 HETIJGQXKBDTOM-CVDCTZTESA-N 444.583 4.655 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)s1 1510847356 HSRQJEVIXKPPGA-DEOSSOPVSA-N 435.597 4.764 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@](F)(C#N)C1 1512621458 FLACZFVUYHBNFB-KRWDZBQOSA-N 426.359 4.647 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC[C@@H]1CC 1513040262 BPTJMLFEIJKAPT-NKKJXINNSA-N 434.632 4.812 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1520003417 QFWXIYWMOBYOOX-HXUWFJFHSA-N 438.450 4.866 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)CC(C)C)ccc1Cl 1520147358 SYBPXNVLJINHOS-KRWDZBQOSA-N 434.989 4.886 30 10 IJEE C=CCOc1ccc(COC(=O)c2cc(Br)nn2-c2ccc(C)cc2)cc1 1521577872 GOZLWEXMSXGIDV-UHFFFAOYSA-N 427.298 4.865 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)c(OC)c1 1522628493 GXYWEZNMRZMNHO-UHFFFAOYSA-N 425.916 4.897 30 10 IJEE Cn1cc(CCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c2ccc(F)cc21 1524012734 HPLOOULSAAILQH-UHFFFAOYSA-N 427.479 4.741 30 10 IJEE C#C[C@@H](NC(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1525054537 OFYXSGADYIHQCF-VQIMIIECSA-N 449.389 4.667 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)c3ccc(SC(F)(F)F)cc3)cc2C1=O 1526837757 MFEKQZYGIZJHOZ-LBPRGKRZSA-N 435.423 4.999 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(C)c(Cc3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 1527263962 ZFRBTKBOYLPPKF-DEOSSOPVSA-N 439.581 4.774 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1 1528045677 LTGPPSCWNLLYNS-UHFFFAOYSA-N 426.232 4.800 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c1 1528207237 NAYKMKCDNGQKDS-UHFFFAOYSA-N 440.434 4.748 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)NCc1ccc(COc2ccc(F)cc2)cc1 1529846317 DARDUSARTNRVMD-UHFFFAOYSA-N 439.284 4.969 30 10 IJEE C=CC[C@@H](OC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)c(Cl)c1 1530230197 UCOJDVOWDYANBU-LJQANCHMSA-N 442.364 4.647 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 1533762069 GBAMNQCWLMSJLC-LJQANCHMSA-N 445.382 4.871 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 1535745912 ZIUBXKAIPQAZAP-JOCHJYFZSA-N 438.369 4.672 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC1CC(OC(C)(C)C)C1 1539030097 NOCCNGFATUWROJ-HVIUMASTSA-N 438.616 4.916 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1CCO[C@@H](C)C1 1539154646 QRPBQYIGRGNQEY-UNMCSNQZSA-N 431.584 4.627 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1539344849 LFVUEUZPYPCFBJ-ATIYNZHBSA-N 433.644 4.718 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1Cc1ccc(-c2ccsc2)nc1 1539377415 ICSXHUMJCGTBCG-UHFFFAOYSA-N 443.576 4.797 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539606756 PQYQAQMOVHDULX-FQEVSTJZSA-N 425.415 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(C)C)CC1 1539624855 WRUHLNBIGZLOIR-PGRDOPGGSA-N 444.023 4.547 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1cccs1 1539693744 YGRUNERKUVGGDN-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC2CCCC2)CC1 1539877684 BTAZNUOZLPBRRU-UHFFFAOYSA-N 442.629 4.721 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1539902413 GZQNRZARRYQQMN-VSKRKVRLSA-N 435.616 4.670 30 10 IJEE 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C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 1542329772 JONRORAOEFDNND-HNNXBMFYSA-N 436.965 4.796 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 1543382102 YHBBEZUVUHIHLV-UHFFFAOYSA-N 431.580 4.631 30 10 IJEE COc1ccc(/C=C2\S/C(=N\N=C/c3ccc(O)cc3)N(Cc3ccco3)C2=O)cc1 1554646028 AJQOVRMDJHTLOT-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCOc3ccc(Br)cc3C2)c(Cl)c1 1556351524 CXHVRZRVHWZPBR-UHFFFAOYSA-N 426.097 4.662 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1OCC(F)F 1556837835 MPUIIZRWEXVFOY-ZDUSSCGKSA-N 439.286 4.958 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C)C(=O)OC 1558383570 NXRGASYKJAFSCE-IBGZPJMESA-N 426.513 4.815 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2cc3cc(Cl)ccc3s2)cc(OC)c1OC 1561182849 LKQXFFBFRRDPKV-UHFFFAOYSA-N 437.970 4.779 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)NCc3c(Cl)cccc3-n3ccnc3)c2)nc1 1562418890 BIBSJEYVWQWRJR-UHFFFAOYSA-N 444.882 4.906 30 10 IJEE C#C[C@@H](NC(=O)NCc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 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C=CCN(C)c1nnc(-c2ccccc2Br)n1CCc1sc(C)nc1C 1594930117 VZTYYBQAUMOIKF-UHFFFAOYSA-N 432.391 4.646 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1594997757 MQZSYHTZGFYQRT-QFIPXVFZSA-N 435.572 4.608 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCc1cccnc1 1595127114 FMLOJWZONOCTNP-UHFFFAOYSA-N 428.515 4.618 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1595343188 FXGICDBPKOKIHM-HUUCEWRRSA-N 437.407 4.739 30 10 IJEE C#CCN(C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C1CCN(C(=O)OC(C)(C)C)CC1 1596142591 YNEFSWFPGDZQKC-GOSISDBHSA-N 449.595 4.768 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2(C3CC3)CCC2)ccc1Cl 1597666268 BLSOBCDQUVPGRT-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE COCC1(CNc2c(C#N)cnc3c(Cl)cccc23)CCN(C(=O)OC(C)(C)C)CC1 1612370544 BRZMOBBWUFFPSU-UHFFFAOYSA-N 444.963 4.835 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cn(CCC)nc1C)c1ccc2c(c1)OCCO2 1616620033 KWEJQLUOAIDSSW-UHFFFAOYSA-N 447.535 4.785 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnc(-c2c(Cl)cccc2Cl)s1 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30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 1634575439 YEWPHTPEYLUHGG-PWRODBHTSA-N 430.589 4.736 30 10 IJEE CCCCn1c(SCC(=O)NCc2ccnc(C#N)c2)nc2cc(C(F)(F)F)ccc21 1634627616 FHSUPIGVAHDLQZ-UHFFFAOYSA-N 447.486 4.530 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1OC 1636145710 YEKJBMPRTWQLJA-IBHIWXBSSA-N 435.442 4.532 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(SC)c(OC)c1)c1ccc(Br)cc1 1636562975 QTIJRZIVCIOADB-QGZVFWFLSA-N 433.371 4.696 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)o1 1638807575 FUZJYTMDODVQCX-FQEVSTJZSA-N 448.441 4.551 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccn2)nc2scc(-c3ccc(C)cc3)c2c1=O 1640556326 SUDNZDYHIZJUOI-UHFFFAOYSA-N 448.573 4.745 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 1641130918 WXCRONREHLBTEG-UHFFFAOYSA-N 449.557 4.680 30 10 IJEE Cc1ccc(-c2noc([C@H](C)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)n2)cc1F 1642944430 ARIUPVOEOZBEOK-HRAATJIYSA-N 439.922 4.781 30 10 IJEE 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CC(C)CC(=O)Nc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 1860138051 HLTOSYATJSQUIK-OAHLLOKOSA-N 425.554 4.747 30 10 IJEE C=CCN1C(=O)COc2ccc(C(=O)CSc3nc(-c4ccc(F)cc4)cs3)cc21 1860798204 DFRYDDORJSQBOW-UHFFFAOYSA-N 440.521 4.836 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(OC)c(OC)c1 1861074428 RLMUCHDMIMMFKH-DKXPKDADSA-N 444.616 4.965 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)ccc1O 1862386085 FJEPHZZOXNVVBQ-LJQANCHMSA-N 448.302 4.838 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1C 1862404113 MWTBGFDWPWRRDA-OAQYLSRUSA-N 438.480 4.536 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1OC 1862437735 XXPVSOGWYBHGDY-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(N(C)C)cc1 1862469614 RMRGGEVRPXSVQG-IBGZPJMESA-N 443.341 4.502 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 1862501628 GVICWQSNWJAMTR-HSZRJFAPSA-N 438.543 4.617 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Br)cc1 1862540041 DXPKHGMKNVCLFZ-LJQANCHMSA-N 426.310 4.776 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccc2Cl)cc1OC 1862569189 HEKJKAABDXNESA-HXUWFJFHSA-N 429.900 4.592 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1F 1862636457 HVRQPECSSJYWMI-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 1862683231 WZPZXABNGKCMOD-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE COc1ccc(C2=C(Nc3ccc(F)cc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862960963 RIXOXDPORUOCQD-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCN(CC)c1ccc(NC2=C(c3cccs3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863112711 HHLYRQOMQVPUBO-UHFFFAOYSA-N 442.544 4.863 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCc3ccccc3)C2=O)cc1C 1863253506 LJCQZCMPCOCBED-UHFFFAOYSA-N 435.527 5.000 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3)C2=O)cc1 1863343562 DMHOBKMANXVASF-UHFFFAOYSA-N 437.499 4.739 30 10 IJEE Cc1cc(C)cc(OCCN2C(=O)C(Nc3cccc(C#N)c3)=C(c3cccs3)C2=O)c1 1863477505 CLYUIUSEMNKIRQ-UHFFFAOYSA-N 443.528 4.508 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1 1865972612 JBBTXQGRNHRAGJ-QFIPXVFZSA-N 449.551 4.976 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3[C@@H](C)COC[C@@H]3C)n2)cc1 1868534104 LUAAAZYBERICBF-ROUUACIJSA-N 429.524 4.771 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)n(-c2ccccc2)n1 1870001806 VFVHTPDVHZPQOM-UHFFFAOYSA-N 431.584 4.991 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1Cc1c(C)cc(C)cc1C 1870112043 NBBQPOMGRXJKOA-UHFFFAOYSA-N 444.322 4.691 30 10 IJEE CCCCCCCCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(O)cc1=O 1870119754 FOQHDGLPNGCIIH-UHFFFAOYSA-N 445.991 4.530 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc3ccccc23)cn1C[C@@H]1CCCO1 1870486898 ZUJWMBPFCHQPQE-VWLOTQADSA-N 444.575 4.934 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CNc1cc(C)ccc1C 1871173740 PBLYDJQYRRTKIQ-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccco3)ccc2C1=O 1871369731 VQKFZDBOXLLHMR-RTIQATPQSA-N 448.427 4.540 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871775695 GEUWOOSAFPELIC-WZONZLPQSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 1871857253 IPOJACNOFZEXPY-QFIPXVFZSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1871895767 BGHJPZKBLOHVHY-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872108724 IEIIGRUBTUXBSS-FDDCHVKYSA-N 439.581 4.706 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872126279 PCRYHHFRDPUMIQ-CQSZACIVSA-N 427.353 4.587 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)C1CC1 1872157677 NFDVBIQYSIZFHT-JPYJTQIMSA-N 441.597 4.764 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C)S(=O)(=O)c1cccs1 1872354813 SXMAEAHLBJSULZ-QGZVFWFLSA-N 446.516 4.607 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)[C@H](C)CC)S(=O)(=O)CCCC 1872358324 XUPZOALGCGZPRJ-OXQOHEQNSA-N 445.025 4.710 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872501357 XDZBSKCQXXLEFE-OAHLLOKOSA-N 441.380 4.814 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)c1 1872770830 GCTLLQGYPXGIKS-MRXNPFEDSA-N 428.897 4.979 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 1873435550 LGZGSCUTORWBJS-UHFFFAOYSA-N 431.514 4.552 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873647156 QOKMWQZKQYIVTH-RTBURBONSA-N 447.583 4.826 30 10 IJEE Oc1cccc(/C=N/n2c(COCc3ccccc3)nnc2SCc2ccccc2)c1 1874355316 IWGPFUOSWNFDSW-MFKUBSTISA-N 430.533 4.875 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc4ccccc34)nnc2[C@H]2CCCO2)c(O)c1 1874450273 XUOHALJJJYZLFE-FDCKDHBTSA-N 446.532 4.869 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccccc1OC 1874477501 CGEDRRNPGJMXMA-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCO)nnc2C(C)(C)C)cc1OCC 1874486904 PVGYYFBAFRSGDS-XQNSMLJCSA-N 434.606 4.510 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCC)nnc2SCC(=O)Nc2ccccc2)cc1 1874505067 OZOYOBDKVBOITK-LFVJCYFKSA-N 437.569 4.632 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N(CC)CC)c2)c(OCC)c1 1874600235 AYALBQZGIPPWNS-NTCAYCPXSA-N 425.525 4.627 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 1874620770 RYASIODORURZPR-WUXMJOGZSA-N 429.472 4.680 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc(N(C)C)cc3)c2)cc1 1874696792 MBCXMAKADCCVBP-PJQLUOCWSA-N 431.488 4.885 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CCO)CCCC)n2CCC 1875204915 HRTXXMLGIJDUJM-UHFFFAOYSA-N 431.625 4.848 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1 1879743340 LVQOJDWZRCADFO-XDHUDOTRSA-N 442.365 4.732 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)n[nH]2)c1C 1890646045 YQRNMHWHUMLRLA-UHFFFAOYSA-N 442.567 4.967 30 10 IJEE COc1ccc2cc(C(=O)NCC#CCN3CCCCCC3)c3ccc(OC)cc3c2c1 1891546407 UZTKLKSRPWPMAQ-UHFFFAOYSA-N 430.548 4.619 30 10 IJEE C=C(I)COc1c(C)cc(Br)cc1CNCC(C)C 1895095284 NUBGVHASQKFVRK-UHFFFAOYSA-N 438.147 4.831 30 10 IJEE CCCN(C(=O)OC(C)(C)C)C1(C#N)[C@H]2CSC[C@H]1CC(NC(=O)OC(C)(C)C)C2 1901985201 DFMWGUXZVBXMQK-UBODTHMXSA-N 439.622 4.562 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 1915608413 ZUQOZMRNZGJISG-QFIPXVFZSA-N 439.380 4.695 30 10 IJEE CC[C@@H](S)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1938594299 OJYPVBBJPYNRHT-MRVPVSSYSA-N 431.975 4.621 30 10 IJEE C#Cc1ccc(C(C)(C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1952483040 YNYSCQSKHIJGRU-VWLOTQADSA-N 439.511 4.937 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)sc(C)c1Br 1963880769 CXBHIYYWDQTVRD-CQSZACIVSA-N 431.396 4.603 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3cc(Cl)ccc3Br)C2)OC1(C)C 1965478523 AHGOXXMDYSBCHI-LBPRGKRZSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(CNc2cc(Br)c(C#N)cc2F)CC12CCC2 1965688576 GOGDPPPQBQJSTH-FQEVSTJZSA-N 438.341 4.957 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2002711948 QUYKKWXFGJCSFG-RDGATRHJSA-N 434.621 4.526 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2020571322 ARZWFULUVFRMSH-NRFANRHFSA-N 434.541 4.750 30 10 IJEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)c(O)c1 2080047496 FULQOLHSDPSHEL-QGZVFWFLSA-N 436.350 4.855 30 10 IJEE Cc1cc(Br)c(C(=O)N2C[C@H](C)CC[C@H]2C=O)cc1NC(=O)OC(C)(C)C 2181019624 SFPJKXRXMRUABM-OCCSQVGLSA-N 439.350 4.544 30 10 IJEE C[C@@H](NC(=O)c1scc(Cl)c1Cl)c1cscc1B1OC(C)(C)C(C)(C)O1 2186625630 BEUQMOKFCWIZPY-SECBINFHSA-N 432.203 4.907 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)c1ccc(Br)c(OC)c1 2192140539 UHQRMMSFVYRWRK-VXKWHMMOSA-N 434.374 4.632 30 10 IJEE C=C([C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221681702 NMDQDZBPBSTXDA-DLBZAZTESA-N 428.443 4.679 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@@H](O)C#Cc3ccccc3Br)c21 2235742989 HJDAYRVBTRIUOA-IBGZPJMESA-N 428.326 4.832 30 10 IJEE C[C@@H](C1CC1)N(CCC#N)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243911824 XIPJBADTEAQONX-SFHVURJKSA-N 445.563 4.844 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2256304699 ULLKNNZBMZONPQ-UHFFFAOYSA-N 430.354 4.506 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2267565674 QVDFYRIBGYWWLL-OGXDUAGGSA-N 439.405 4.701 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(F)c(F)c(Br)c(F)c1F 2267846085 UCGVUEDKXNTXSP-ANRSDYALSA-N 441.263 4.735 30 10 IJEE C=C[C@@H]1COCCN1[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2269838889 LHZXVSSAIMVPFR-FTJBHMTQSA-N 444.575 4.731 30 10 IJEE C=CC[C@@]1(COc2c(N)ccc(F)c2Br)CCN(C(=O)OC(C)(C)C)C1 2272234085 KUYQWJZUVPUQHU-LJQANCHMSA-N 429.330 4.753 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1cc(Br)cc(OC(F)(F)F)c1 2272999736 WEMCHPOBPPTQDI-ZIAGYGMSSA-N 439.272 4.817 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@H](N)C#Cc2ccccc2Br)CC1 2283124536 SQFZGRPJDPDMPO-IBGZPJMESA-N 435.406 4.945 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296218743 HJXMXUKWXAWFTH-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2296266215 FPGXWTYVKNLRHN-OXJNMPFZSA-N 445.348 4.717 30 10 IJEE O=C1C(=CNc2cc(F)ccc2F)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 2296957084 UKFLSQGLFSJWAT-UHFFFAOYSA-N 432.473 4.513 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccccc3)CC(=O)O4)C2=O)cc1OC 2297592301 XAFZCTQPDQHWQI-GOSISDBHSA-N 428.440 4.761 30 10 IJEE COc1ccc(C=C2SC(=NN=Cc3ccccc3O)N(Cc3ccco3)C2=O)cc1 2314818391 DXMWZBJOGLDEOZ-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE CC[C@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317348105 INRMXLDFKVGTDF-KAUXGEHWSA-N 432.370 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353287 GDAJDHVVAUDFBN-MSOLQXFVSA-N 430.354 4.551 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CC(C)C)ccc1OCc1ccccc1F 2321906966 PQZXAEAGODFYIJ-UHFFFAOYSA-N 428.533 4.764 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(F)cc1F 2322487825 VABBBEGDCQCEAM-UHFFFAOYSA-N 439.252 4.955 30 10 IJEE Cc1ccccc1C=C1Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc2C1=O 2325263479 RRSXTALGNRNRDT-UHFFFAOYSA-N 445.427 4.965 30 10 IJEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3)ccc2C1=O 2325517809 SXXPWSSIXBZZQG-UHFFFAOYSA-N 427.428 4.968 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1cccnc1 2326832579 TUMZYDVWYJXMFM-UHFFFAOYSA-N 445.548 4.825 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2N=Cc2ccc(Cl)cc2Cl)o1 2326862912 ZDTHOEMMSWDAQG-UHFFFAOYSA-N 439.324 4.918 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(OC)c(O)c2)cc1 2327360601 DYZHPIOLRVBALN-UHFFFAOYSA-N 426.542 4.518 30 10 IJEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1N=Cc1ccncc1 2329342839 AETZVSOVCIAWSG-UHFFFAOYSA-N 433.512 4.704 30 10 IJEE CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1cc(Br)ccc1F 2329378824 VFCNSOLSMDWLHF-UHFFFAOYSA-N 433.350 4.991 30 10 IJEE CC(C)CCNC(=S)NN=Cc1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 2330458320 OTCCYENUQLVZTB-UHFFFAOYSA-N 433.931 4.974 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1OCCC 2330619163 ZGGNJKOMGZGMLN-UHFFFAOYSA-N 444.582 4.723 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1 2330620574 VSMXIBFAPOKERN-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 2331436081 FHXGKMHFOBUKBV-UHFFFAOYSA-N 439.560 4.791 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccccc1C 2331436478 XWKXQJGCECOLER-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCc2nc(O)c3ccccc3n2)cc1 2331467364 IESQYEYVTFEQTJ-UHFFFAOYSA-N 446.580 4.862 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc(F)cc1 2331527751 VSVJIJFUQBZRLC-UHFFFAOYSA-N 436.351 4.757 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](Oc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2339575101 RHRUZJUZIFITGS-LYIQQWBISA-N 442.365 4.503 30 10 IJEE CC1(C)OB([C@@H]2CCN(C(=O)c3cc(Br)c(F)cc3Cl)C2)OC1(C)C 2342476142 WRMAADHEMVJOTC-SNVBAGLBSA-N 432.526 4.550 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CC[C@@H]4CC[C@H](C3)N4Cc3ccccc3)nc2)OC1(C)C 2365062985 SPHYDXRMPGCOLW-RORGYSQGSA-N 445.416 4.970 30 10 IJEE C#CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 2989852 KQWNVZICPYUMHA-HMAPJEAMSA-N 444.468 4.997 30 10 IJEE COc1ccc(/N=C2/C(=O)N(CN3CCC[C@H](C)C3)c3ccc(Br)cc32)cc1 16609044 HRGYGWVLLDWKCV-NNLOLUDESA-N 442.357 4.615 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1)N2 20755340 JQTXPLHFMUZTDR-RQTOMXEWSA-N 436.577 4.884 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OC(=O)c2c(OC)cccc2OC)c1 34955430 QGZMPZIDYITKFI-WYMLVPIESA-N 448.471 4.836 30 10 IJEE CC[C@@H](C)n1c(O)c(C(=O)c2oc3cc(Br)ccc3c2C)c(C)c(C#N)c1=O 38617422 QNMKZJAGHRCNGN-SNVBAGLBSA-N 443.297 4.753 30 10 IJEE Cc1c(C(=O)c2oc3ccc(F)cc3c2C)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38623497 LWZBIDRAFSMXIT-OAHLLOKOSA-N 430.435 4.768 30 10 IJEE C=CCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Br)cc1 39844274 BPIPYQOYFQEZKX-UHFFFAOYSA-N 433.327 4.843 30 10 IJEE Cc1cc(O)c(CN(C)Cc2ccccc2)c2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 41514623 WJSBVROUPLRXOX-FMCGGJTJSA-N 429.472 4.678 30 10 IJEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc3c(c2)OCO3)C4)o1 41649660 OSNXBPBMYFIKQB-AFPJDJCSSA-N 431.444 4.593 30 10 IJEE CCOc1cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc(Br)c1OC 96920241 XRSBJBUWNCGVKZ-KTKRTIGZSA-N 444.325 4.879 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N/c1nccs1 101128141 VBNXLTAUWAYOKS-XKOOYEHJSA-N 426.479 4.935 30 10 IJEE CCCCOc1ccc(/C=N\n2c(S)nnc2COc2ccccc2)cc1OCC 169914262 YIKNGRBXKJVKNN-HAHDFKILSA-N 426.542 4.606 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921661 UEODZGHQLSAKFB-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2)cc1C 170064905 TWURGLWZAYEITP-QFIPXVFZSA-N 425.500 4.836 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccn1)c1ccc2c(c1)CCCC2 170169081 XYPJHXGWQLRBLV-QHCPKHFHSA-N 428.463 4.882 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170193861 RNSIPXDLVWNUGP-IBGZPJMESA-N 440.286 4.562 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccccc1 170222825 RNFACXDWZIDCAH-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F 170246945 CMVCZGTUWHOAGU-NRFANRHFSA-N 437.492 4.983 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2c[nH]c3ccccc23)cc1 170254630 MNIZNWAWJTURQG-QHCPKHFHSA-N 448.519 4.572 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265825 ITIHPIAZFKUAFI-UKILVPOCSA-N 445.559 4.885 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccco1 170288097 CYRPBAVWJGTOMF-OAQYLSRUSA-N 445.427 4.826 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(OC(C)C)cc1 170472982 VDTQAAIVEPXZPO-QFIPXVFZSA-N 437.536 4.993 30 10 IJEE C=CCn1c(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)cc2c(OCC)cccc21 209113955 ANQYWFVIPKDAPA-XFXZXTDPSA-N 429.564 4.697 30 10 IJEE CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)/C=C\c1cn(CCC#N)c2ccccc12 215569018 WRLLYDJBEXNYEB-FLIBITNWSA-N 434.927 4.998 30 10 IJEE Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 228849796 TWZUAHRALUWIPO-JPYJTQIMSA-N 425.960 4.566 30 10 IJEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1cccc([N+](=O)[O-])c1 252462153 QGJAGPRCAYNSSA-UHFFFAOYSA-N 440.872 4.562 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(c2nnc3ccccn23)CC1 460382917 GSXBXYKBTGVWGP-UHFFFAOYSA-N 433.604 4.794 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(c2ncc3n2CCCC3)CC1 460552153 VKJWZWXCYPWBSM-UHFFFAOYSA-N 430.600 4.670 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 502499714 HDLRCTSJRCPYPX-QMGSSNTLSA-N 430.548 4.662 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1nc(C(=O)OCC)cs1 504091551 SGBWAUSQGWXQJB-UHFFFAOYSA-N 435.477 4.554 30 10 IJEE CC1(C#N)CCN(C(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)CC1 506704317 WDAYWQDHTOWCMC-UHFFFAOYSA-N 449.486 4.655 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 508463957 JYJKYFQUPXUWAY-IBGZPJMESA-N 432.446 4.938 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 508504696 AHEXKBYHVKSSKA-UHFFFAOYSA-N 441.535 4.585 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(Br)s1 516216583 JCYJJFTXHOASKD-HNNXBMFYSA-N 430.375 4.615 30 10 IJEE Cc1cc(C)c(C#N)c(SC2=C(N3CCCC3)C(=O)N(c3ccc(C(C)C)cc3)C2=O)n1 526696164 PVFINHGNYXXBBS-UHFFFAOYSA-N 446.576 4.666 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCSC2(CCOCC2)C1 555243745 ICBWEGRHOKAPCU-UHFFFAOYSA-N 438.519 4.642 30 10 IJEE C=CCn1c(CCc2ccco2)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 564375404 CJSCRMQSKREWIP-UHFFFAOYSA-N 430.556 4.596 30 10 IJEE N#Cc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586230694 DIKDUHWEKNBZRI-UHFFFAOYSA-N 427.869 4.515 30 10 IJEE COc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(Cl)ccc2OC)c1 586258468 JIZSSOXWBCKKAC-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE Cc1cccc(NC(=O)Nc2cccc(CNC(=O)NCc3ccc(C#N)cc3F)c2)c1 609253113 ONXMUGXIHRDVOA-UHFFFAOYSA-N 431.471 4.649 30 10 IJEE CC(C)(C)OC(=O)NC1(CC(=O)C#Cc2ccccc2)CCN(Cc2ccccc2)CC1 686827604 DEVQZOAOHSHCKJ-UHFFFAOYSA-N 432.564 4.557 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@]1(C#N)CCOc2ccc(Br)cc21 698822639 BRZLZSYGGFRQME-INIZCTEOSA-N 435.240 4.750 30 10 IJEE C=CCC1([C@H](Cc2ncccc2Br)NCCC)CN(C(=O)OC(C)(C)C)C1 722937715 JBBMVNNRVPCEAN-SFHVURJKSA-N 438.410 4.568 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cccc(OC4CCCC4)c3)c2)s1 740507066 HZTIBCQICKQJML-UHFFFAOYSA-N 445.544 4.863 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 773599845 KVENBHXLXOSTIF-INIZCTEOSA-N 446.528 4.503 30 10 IJEE C#C[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C 774258325 TZXKXBGILKBGFB-PGRDOPGGSA-N 449.576 4.766 30 10 IJEE CC(C)c1ccc(N2Cc3ccc(NC(=O)C(=O)NCC4CCC(C#N)CC4)cc3C2)cc1 799837427 TVSHSKNYBQZKDL-UHFFFAOYSA-N 444.579 4.715 30 10 IJEE C=CCN(C(=O)Cn1nnnc1C(C)C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1124392325 YWHHVTBDSFMZDK-UHFFFAOYSA-N 444.564 4.806 30 10 IJEE C#CC[C@]1(C(=O)O[C@@H](C)c2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1127721743 AGZRCOXXTKINLA-YCRPNKLZSA-N 441.446 4.982 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)cnc2OC(C)C)nnc1-c1ccco1 1128963857 KOBVCRGKFDWNGI-UHFFFAOYSA-N 447.948 4.681 30 10 IJEE N#Cc1sccc1C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1134604581 BSKRADXWZUQOSA-UHFFFAOYSA-N 426.295 4.887 30 10 IJEE C=CC1(CC(=O)Nc2cc(Br)ccc2OCC)CN(C(=O)OC(C)(C)C)C1 1143621295 CBHJPQOLTVUPLC-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(Br)ccc2O)s1 1153473148 LRIPHYSBYJFTPC-UHFFFAOYSA-N 433.780 4.945 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1158669759 JTFIORYBHABCLT-FWIXPWDUSA-N 434.602 4.899 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 1185373220 HGSDKWRYDNSZQE-HXUWFJFHSA-N 445.313 4.528 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCCN2c3ccccc3C[C@@H]2C1 1206202726 HJMFHFSPGMTBLY-GOSISDBHSA-N 442.357 4.683 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1215091473 DNXQJYVDMGPJOZ-AUSIDOKSSA-N 425.504 4.849 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1228146496 ALURTXAKSBAFHA-OAQYLSRUSA-N 441.597 4.980 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(COc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1264557955 WFYZMVUQTCNCTN-MHZLTWQESA-N 448.563 4.675 30 10 IJEE C#C[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)c1ccc(Cl)cc1F 1275497562 FIDFVDIUCAHBEG-QGZVFWFLSA-N 432.680 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1coc(-c2cccs2)n1 1286302368 LSGXDIJMZHNEDP-SFHVURJKSA-N 447.564 4.697 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC(C)(C)OC[C@@H]1C 1286316472 ITKLFCHJAKHKPU-ROUUACIJSA-N 426.630 4.939 30 10 IJEE C#CCCCn1c(-c2ccccc2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1286345989 MWMZSJAYQKAYHA-IBGZPJMESA-N 435.597 4.690 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](OCCC)CC1 1286498621 BLQMYSVJFKVHQZ-NRFANRHFSA-N 449.624 4.645 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCSc2c([nH]c3ccccc23)C1 1286540165 JIZMCRMEDLPMHA-UHFFFAOYSA-N 446.418 4.979 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1CC(F)C1 1286566670 SNIVJQKZKBCKCF-NBKJOAOTSA-N 426.580 4.619 30 10 IJEE C=C(C)COCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@@H]1CCOC1 1286602949 GESPULBGMZZEON-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C)CCCC)CC1 1286656863 QGQBDRHTNWQFTP-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)c(F)c2)CC1 1286666105 SFYNGFXEKHOBGI-DENIHFKCSA-N 442.579 4.795 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnccn1)c1ccccc1 1286678391 WBQRMSUFSJQEHQ-HXUWFJFHSA-N 445.958 4.780 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286685417 REKUJKYEXQGFSZ-HKUYNNGSSA-N 448.409 4.550 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1ccc(OC(C)(C)C)nc1 1286730791 OBIUKBDYEMUGIQ-UHFFFAOYSA-N 435.572 4.662 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCc1sc(C)nc1C 1286748507 XNTRWIJOKPDXJZ-UHFFFAOYSA-N 438.626 4.854 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1286771112 XSIPGNAIRTXWJY-NHCUHLMSSA-N 441.595 4.836 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(OC)CCCCC2)C1 1286800736 PXOXNRJKYMIDAD-GOTSBHOMSA-N 438.616 4.951 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCO[C@@H](C)C1 1287602958 HTFYCHSGIIYNBA-FCHUYYIVSA-N 448.615 4.862 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccs1 1288530195 DFHAODAMICFNJW-ZHALLVOQSA-N 429.634 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ncc(CC)s1 1300320447 HVXIZGAZWXBKJR-SFHVURJKSA-N 437.613 4.814 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C(C)C)N1CCCC1 1300430873 BFESZGQHABPMCS-VWLOTQADSA-N 444.627 4.542 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1ccnc(OCC2CC2)c1 1300641824 KPUPSLLSIBYNRF-UHFFFAOYSA-N 447.558 4.587 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CC1(OC)CCC(C)CC1 1300649810 OXCCGMYPCMLTSP-UHFFFAOYSA-N 426.580 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1300894517 DJBJIUDOMLPYHH-IRLDBZIGSA-N 437.588 4.531 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1300983374 IEMDNMHKYSZZKO-CVDCTZTESA-N 433.556 4.529 30 10 IJEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1301009615 BGKALGFYSSOHSV-PXNSSMCTSA-N 449.382 4.615 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1301049890 HJHQBRHPCDCHCC-HXUWFJFHSA-N 426.948 4.897 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCCN2CC)CC1 1301134643 LXFCOHVLBGWQSH-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301208314 RPTXMSKDYKRZCJ-SANMLTNESA-N 448.615 4.694 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)C1CCCCC1)C1CC1 1301320526 HEZWOCSFLJNCHP-UHFFFAOYSA-N 429.012 4.803 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CC(F)(F)CO1 1301349210 LBXVBBWAXMGHKZ-IBGZPJMESA-N 430.524 4.547 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](C)C1 1301350445 YHBHLEAYUXWBMM-RBUKOAKNSA-N 448.546 4.693 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1Cc1csc2ccccc12 1301403058 STHZLKQNSYRYIM-UHFFFAOYSA-N 449.580 4.507 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1301600534 BYUJKCRERCYKKE-VIKVFOODSA-N 439.448 4.923 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cnn(C)c1)C(C)(C)C 1302580897 BIVFBAXVVIIKSC-LEWJYISDSA-N 449.628 4.669 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(C)CCCO1 1303063694 HPJBWKJKFOAQEA-VWLOTQADSA-N 432.572 4.829 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CCCS2)cc1 1304407777 AHANVRXLZMPKLI-QHCPKHFHSA-N 425.602 4.581 30 10 IJEE C=C(C)COc1cc(CNC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1OC 1308299283 GOBYDCNYMYLAIY-IEBWSBKVSA-N 434.577 4.500 30 10 IJEE C#C[C@H](NC(=O)Nc1cnc(Cl)c(Br)c1)c1ccc(Br)cc1 1310524498 NTCYEAPDYAJICU-ZDUSSCGKSA-N 443.526 4.756 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](C)c1noc(COCC)n1)c1ccc(C(F)(F)F)cc1 1312343304 RJDAKOYBTZYMPO-BBRMVZONSA-N 426.439 4.693 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(F)ccc1Oc1cccc(Cl)c1)C1CCOCC1 1313043079 MGBMXEBSWJLGNU-OAQYLSRUSA-N 430.907 4.841 30 10 IJEE COc1ccc(C(=O)c2c(NC(=O)c3ncc(C#N)cc3C)sc3c2CCCC3)cc1 1349232485 BYHAZUULEDJSQT-UHFFFAOYSA-N 431.517 4.694 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](OC)[C@H](C)CC)c1ccc2c(c1)OCCO2 1351532076 PNWDIVKMLIJJCF-KOSHJBKYSA-N 425.525 4.617 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 1352022035 VNYVOBYTRVVLDY-UHFFFAOYSA-N 430.316 4.732 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc(C(F)(F)F)c2)c(C(=O)OCC)c1C 1353746117 IKFGLOIGAVHVNC-UHFFFAOYSA-N 441.427 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCCS1 1358879563 UMRGJSDXTXWTQI-YWZLYKJASA-N 433.419 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cccc(C)n1 1359108512 RIWAECCPUDOMPF-UHFFFAOYSA-N 443.393 4.774 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 1359138806 DTDAZCIFPOGAJY-FQEVSTJZSA-N 435.616 4.636 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC(C)(C)C1 1359157147 AEVUDMSPIYDHIP-WBVHZDCISA-N 438.016 4.975 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2cccc(C)n2)CC1 1359159468 WZGZOJCRXAXENW-OAQYLSRUSA-N 447.583 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2nccs2)C1 1359185775 IOJQGZPRPRTSQN-IBGZPJMESA-N 439.585 4.590 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1359217131 ONBRJGGEEHTYLE-RBUKOAKNSA-N 431.625 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CCc1ccccn1 1359262532 WQHCAAOVODXGKV-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CC1(SC)CC1 1359264531 HNMGGDQFUSBIEN-UHFFFAOYSA-N 431.656 4.784 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC[C@H]1C 1359267892 VYPTVLVDEHNDLC-SJLPKXTDSA-N 431.378 4.559 30 10 IJEE C#CCCCCCC(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1359946120 ZDNCUDKIAASKOS-NRFANRHFSA-N 442.556 4.765 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1360337717 SNJZTKFCGQRCOO-UHFFFAOYSA-N 436.851 4.983 30 10 IJEE Cc1cc(N2C[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2=O)ccc1F 1435023895 HEHZTIHSCWIPSZ-HXUWFJFHSA-N 443.478 4.576 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1435464996 MLMYJNGYBKWQAY-QGZVFWFLSA-N 440.540 4.776 30 10 IJEE C=C[C@@H](CC(=O)N[C@H](C(=O)OCC)c1ccc(OC)c(Br)c1)c1ccccc1 1435686380 GNWJTHPSNKYTEO-BTYIYWSLSA-N 446.341 4.538 30 10 IJEE C=CCC1(NC(=O)Cc2cc(Br)cc(I)c2)CCCC1 1437727905 CWRGGIBYQWCAAA-UHFFFAOYSA-N 448.142 4.601 30 10 IJEE C#CCN(C(=O)Cc1cccc2cnccc12)[C@@H]1CCOc2ccc(Br)cc21 1456443844 FHINSDNJLXKOLG-OAQYLSRUSA-N 435.321 4.525 30 10 IJEE CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1457502255 HRYKCNJXQVVMSQ-DNVCBOLYSA-N 442.585 4.874 30 10 IJEE CC[C@]1(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CCN(C(=O)OC(C)(C)C)C1 1458166070 BQCBGPSCPDYTTM-QFIPXVFZSA-N 426.542 4.657 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c1 1459654935 KCAKHBNYGKUMHK-XMMPIXPASA-N 443.934 4.769 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(NC(=O)c3ccncc3)cc2)cc1OC 1461144226 ULDIIRKVUWQVKT-UHFFFAOYSA-N 437.927 4.851 30 10 IJEE CSc1cccc([C@@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)c2cc(F)ccc2F)c1 1463217405 GSCDGUAATFUANF-JOCHJYFZSA-N 444.528 4.935 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2Cl)C(C)C)cc1 1465257354 IZMXTGMCNZOUNC-HXUWFJFHSA-N 435.977 4.665 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1c(C)cnn1C 1470047964 KELKZBFTKIXLTK-HSZRJFAPSA-N 444.535 4.541 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H]2CCCSc3ccc(Br)cc32)cc1 1470253646 QEUXLQXLTHFBGU-IBGZPJMESA-N 445.382 4.888 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1475489783 OBXREAZOFYPRJH-CJNGLKHVSA-N 441.416 4.986 30 10 IJEE CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1476211239 FLPYIWOFWUOIAI-OAHLLOKOSA-N 428.455 4.782 30 10 IJEE C=CCSCCNC(=O)N1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1478416893 BFONJMFKLRYDEO-QUCCMNQESA-N 439.666 4.801 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1478900476 LRWHQBFCPLHASO-OALUTQOASA-N 441.856 4.774 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1503968431 BCXRYSKAODHNDY-REDKUUPNSA-N 449.958 4.575 30 10 IJEE COCCC1(Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1504773277 GHUQXUHNWLECGW-XMMPIXPASA-N 437.588 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCOC1CCCCCC1 1507517380 PTDBZTOYFSZAJY-OALUTQOASA-N 428.552 4.755 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507681513 YHGFHDOVXQRPCU-WOJBJXKFSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1CCC(OC)CC1 1507765287 REBPGZJMIHZDPM-NSDVKYAKSA-N 440.563 4.755 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](OCCC)CC1 1507804109 DYEMLTURYIAMGZ-FIXSFTCYSA-N 430.637 4.778 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1507827128 URYLYDUZORCQDT-QZTJIDSGSA-N 445.405 4.927 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCCCS1 1507973258 XHUQDGCNYJNHKD-OAHLLOKOSA-N 437.407 4.624 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CC1CCN(CC(F)(F)F)CC1)C1CC1 1507990753 UFBMGOIRBMRCGD-UHFFFAOYSA-N 437.485 4.513 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CC[C@](C)(CC)O1 1507997777 FVBKJCJLAWXMQW-BWKNWUBXSA-N 435.572 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cccc(N(C)C)c1 1508006319 BISJGLQVTIUMBB-UHFFFAOYSA-N 430.581 4.709 30 10 IJEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1509306528 CUZYAEBVYWXHDH-UHFFFAOYSA-N 434.491 4.975 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(C)C)C2)c1 1517312341 YAJMCXLIPNRIDD-IBGZPJMESA-N 447.000 4.839 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(-n2nnnc2C)cc1F)c1ccc(C(F)(F)F)cc1 1519590596 WFXCUHRLLLFQTF-LJQANCHMSA-N 433.409 4.566 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1OCc1ccc(Br)cc1 1519750460 SIITUTXHXQBEGX-LAUBAEHRSA-N 430.342 4.739 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 1521370457 FQOZBMPHIFNEGZ-HSZRJFAPSA-N 434.398 4.865 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1521820111 XQSCSFBZEWIOSU-GUCAUAJOSA-N 428.301 4.977 30 10 IJEE C=CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)c1nc(-c2ccccc2)cs1 1522118986 JKDRINHYYIOAPQ-RBUKOAKNSA-N 442.581 4.856 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(Br)ncc1Br)c1ccc(F)c(F)c1 1523651550 JMZYADASTLWEGB-OAHLLOKOSA-N 446.089 4.932 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)NCC3(c4ccc(Br)s4)CCC3)on2)c1 1525603430 FVZOIYFTWFLDOI-UHFFFAOYSA-N 442.338 4.889 30 10 IJEE C#CC1CCN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CC1 1526512059 MOSGXVXTNNNAFP-UHFFFAOYSA-N 436.968 4.552 30 10 IJEE C=CC[C@@H](C(=O)NCc1cc(Cl)ccc1I)c1ccccc1 1528534665 NTFYEAHFHXQSIR-MRXNPFEDSA-N 425.697 4.921 30 10 IJEE C=C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1 1528624027 RQDFIHISJNUGNM-HSZRJFAPSA-N 441.593 4.855 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](C)CSc2ccccc2OC)CCCN1C(=O)OC(C)(C)C 1530576252 WGXAGPWXZHTUSL-UUOWRZLLSA-N 448.629 4.885 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@@H]1CC 1539013544 NGZZRSKGTOBMDF-ZJOUEHCJSA-N 443.636 4.677 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cn(CCCCC)nc1C 1539024484 UVZHNIWHDJVRCQ-LJQANCHMSA-N 443.599 4.552 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccccc1OCCN1CCCC[C@H]1C)c1ccccc1 1539185218 AIKPUTGRQGVBOB-PRAQEBQASA-N 426.582 4.793 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H](c1ccco1)N(C)C 1539392833 VQQCMGPEWJBMOK-OAQYLSRUSA-N 437.563 4.542 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1539530209 CTKFSYCTZMMHLG-RUYXUALKSA-N 433.046 4.825 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1539658922 DMXKPMPJVLRPLC-UHFFFAOYSA-N 443.592 4.659 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1539982653 PMFRLJUPLAANJG-LJQANCHMSA-N 429.584 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1540174242 JQCXSJNTIICBNG-IFMALSPDSA-N 438.616 4.884 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN2CCCC2)C1 1541486404 BWMMXOYVJPPVNI-JOCHJYFZSA-N 434.632 4.811 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)cc(OC)c1OC 1542445540 IVTKLYPXJROPNJ-UHFFFAOYSA-N 429.314 4.606 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 1557063857 BHXKCMDLTSXAFU-FTJBHMTQSA-N 426.516 4.755 30 10 IJEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)cc(C#N)c1 1557942599 BXWKKQZEBCFQJJ-HNNXBMFYSA-N 429.451 4.563 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(OC)cccc1OC(F)(F)F 1558002233 FHTXHARIGJTIHI-NSHDSACASA-N 438.830 4.568 30 10 IJEE C=CCn1c(SCc2ccsc2C(=O)OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1559307330 CDQVAUUISYPPQB-GFCCVEGCSA-N 446.619 4.909 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](c2ccccc2OC)C1 1562928971 CEYDOYJSXPAEEP-FQEVSTJZSA-N 447.329 4.628 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 1566221355 YLMYOAXMYQXXLN-YJBOKZPZSA-N 426.479 4.622 30 10 IJEE C=CCc1cc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(OC)c1OC 1583898532 FBGZHPXIXZGFDR-VGOFRKELSA-N 446.950 4.648 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCN(C)C(=O)OCc1ccccc1 1584641492 CEOCDYJIBCHMRB-UHFFFAOYSA-N 447.329 4.611 30 10 IJEE C#Cc1cccc(CNC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)c1 1585012218 UDWBTHCEKDSTKE-UHFFFAOYSA-N 446.432 4.864 30 10 IJEE C#CC1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 1585877782 ZKBIXJSBVNZPMU-UHFFFAOYSA-N 430.455 4.500 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(c4c(Cl)cccc4Cl)CCC3)cc2C1=O 1586263013 FGPOGVKTOCDTHE-UHFFFAOYSA-N 443.330 4.627 30 10 IJEE C=CC[C@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)CCCN1C(=O)OC(C)(C)C 1586934276 PETYJFQMBRCNAQ-QVKFZJNVSA-N 440.993 4.647 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(Cl)nc1 1587562745 SJLXDJFUVYMICL-CABCVRRESA-N 430.339 4.626 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCO[C@@H]1C(C)C 1587921804 JRXDEFRVEFOJHD-RCZVLFRGSA-N 445.611 4.873 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1589615949 XAGNHLDCAQTOLJ-UHFFFAOYSA-N 445.995 4.868 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCN1C1CC1 1589687927 TYMSYTLJBHILLJ-OAQYLSRUSA-N 444.023 4.930 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC(C)(C)C1 1594829966 RMKISMWJCRTVBJ-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1csc(CC)n1)C1CC1 1595021104 TYJSUSOOGXRGAJ-OAHLLOKOSA-N 427.549 4.779 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC(=O)NC(C)(C)C)C1CC1 1595026783 RSHGAARRCXSKDX-INIZCTEOSA-N 445.995 4.531 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@@H]1C(C)C 1595196307 PINGPRFMHVVOMH-FXAWDEMLSA-N 445.405 4.947 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCc2ccsc2)C1 1595701253 ZJUPXFBOFGSIER-QGZVFWFLSA-N 432.952 4.823 30 10 IJEE C#C[C@H](NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1F 1597002023 GSFLXFPBLDRZTA-FPOVZHCZSA-N 439.836 4.938 30 10 IJEE C#Cc1ccc(NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)cc1 1603615194 WVLIMFKCSGWCBZ-UHFFFAOYSA-N 425.307 4.997 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1611307750 GGASRLQOTGXFNI-HNNXBMFYSA-N 426.565 4.549 30 10 IJEE CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCc1cc(C(F)(F)F)ccn1 1614661246 DBCUBECAKDULJB-UHFFFAOYSA-N 428.462 4.710 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](O)c1ccccc1Cl 1625538118 DBOBODQGZOPYMI-INIZCTEOSA-N 425.710 4.522 30 10 IJEE C=CCN(C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 1629064164 ADAXQUXLNFCBDW-UHFFFAOYSA-N 426.925 4.974 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1629651359 ABKJTQYGOUTOSF-KRWDZBQOSA-N 440.531 4.618 30 10 IJEE C=CC1(CC(=O)N(CCC(F)(F)F)Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 1634093581 JRDWWGYMAHOSLR-UHFFFAOYSA-N 426.479 4.781 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 1639968789 OFOCNZFMIKSAQR-UHFFFAOYSA-N 427.551 4.519 30 10 IJEE Cc1c(C#N)c(NC(=O)CNC2(c3cccc(Cl)c3)CC2)n(-c2cccc(F)c2)c1C 1642468911 DYLXBHKBCYLOIF-UHFFFAOYSA-N 436.918 4.976 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(Cl)c1 1642940556 DOYCNVASHPHOTR-KKSFZXQISA-N 431.367 4.511 30 10 IJEE C=CCn1c(S[C@@H](CC)C(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643338220 MQIQSDAFFGRTHP-HIFRSBDPSA-N 434.627 4.981 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1649015596 VMEXSAGOJPYXAP-UHFFFAOYSA-N 428.960 4.709 30 10 IJEE C=CCn1c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1cccc(OC)c1 1651851380 ZBXCHBLDVGTSLM-NRFANRHFSA-N 436.581 4.919 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 1652428290 RZPMQLRKVZVXJT-QGZVFWFLSA-N 435.332 4.896 30 10 IJEE N#Cc1ccc(-n2c(SCc3cccnc3C(F)(F)F)nc3ccccc3c2=O)cc1 1652556398 CEJOQKPNXQJJGE-UHFFFAOYSA-N 438.434 4.963 30 10 IJEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]1CCCc2ccccc21 1654894527 CUKZTUBCKAUANU-SANMLTNESA-N 436.559 4.917 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CCCC3 1656100868 OCLAYFLINUOWFW-UHFFFAOYSA-N 447.670 4.900 30 10 IJEE CCOC(=O)C[C@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 1658381746 FWFZHNCZVXTQRD-IAGOWNOFSA-N 445.629 4.517 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1 1659600767 OWCVLGVNTXTWSA-UHFFFAOYSA-N 449.482 4.517 30 10 IJEE Cc1cccc(S(=O)(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C#N 1661928718 CLHTZDKNBLIRJE-UHFFFAOYSA-N 436.377 4.725 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c(Cl)c1 1664989446 GKJKKNCMUPUPLK-GAJHUEQPSA-N 431.964 4.870 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](c1ccccc1Cl)c1ccccc1OC 1669099011 QCVFKNJHHBIZJO-DEOSSOPVSA-N 434.923 4.949 30 10 IJEE Cc1csc(NC(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1C#N 1671133815 GLVKTKKBYHCPGV-UHFFFAOYSA-N 426.542 4.938 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1cn2cc(Br)cc(C)c2n1 1671495251 OOPPBNNUNNLKDE-UHFFFAOYSA-N 443.345 4.625 30 10 IJEE COC(=O)C[C@](C)(NC(=O)Nc1scc(C(C)(C)C)c1C#N)c1cccc(OC)c1 1671685646 BKCCIOCOKVVKFY-QFIPXVFZSA-N 429.542 4.526 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(OC)c(OC)c1C 1672214080 DUVYJKBZYOXPMD-UHFFFAOYSA-N 435.318 4.661 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(Cl)c1 1673381896 SSZZUWIKLABYNL-UHFFFAOYSA-N 436.968 4.795 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1673599527 KKRUNCLVTCKPRV-GHTZIAJQSA-N 434.422 4.848 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CCOC)c2cccc(C(F)(F)F)c2)cc1 1673643039 APBBDVMDYZJZRR-IBGZPJMESA-N 435.446 4.521 30 10 IJEE Cc1ccc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(Oc2ccccc2)c1 1680071667 GSOITTBISMRTNK-UHFFFAOYSA-N 444.510 4.830 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(C(F)(F)F)cc1 1680854078 BPBPOGGGQFFESJ-UXHICEINSA-N 449.448 4.957 30 10 IJEE C[C@H](C#N)CNC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1681272596 CNPZVUVRRMRPHX-XIKOKIGWSA-N 438.728 4.984 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 1681380633 HIBMJCRHYQVLPE-HSZRJFAPSA-N 435.568 4.924 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1)[C@@H]1CCCc2ccccc21 1682889092 KOLUNBHYFOYURR-NTKDMRAZSA-N 431.536 4.817 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)cc(I)c1 1683509512 ZRVJLVBWRFYOKU-XJKSGUPXSA-N 432.733 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC(F)(F)C1 1690040508 DSAWBXLEKZIXRP-MRXNPFEDSA-N 447.327 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1690235552 AWTGQXBOQDKEFW-VMBXEPDQSA-N 443.661 4.718 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC2CC2)CC1 1690493655 ODPUFPALPXOZSG-UHFFFAOYSA-N 432.037 4.722 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCc1sc(C)nc1C 1690565424 JLGSNKRVWJVNLA-OAQYLSRUSA-N 437.613 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@H]1CCO[C@H]1C(C)C 1690605394 IGGIVEFLJVGYKJ-XXBNENTESA-N 438.547 4.973 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccncc2Cl)C1 1690689704 JYGAZMFMYXVNMK-INIZCTEOSA-N 448.329 4.616 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN(C(C)C)C(C)C)c2ccccc2n1 1692986490 HYSJGBCYZUGLBN-IBGZPJMESA-N 433.604 4.516 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCOCC2)C1 1696537710 HWWMBFJTFQLGDH-NHCUHLMSSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOCC)CC1 1705482396 XZIBRFXNXRVAEF-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705520329 QAZMCGLJKKZEPL-JOCHJYFZSA-N 449.643 4.588 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(F)CCC1 1705602484 WQCOQANIGQCNEL-UHFFFAOYSA-N 449.357 4.909 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1Cc1csc(C)c1 1705678351 XCXSZRXSXSPPAS-XMMPIXPASA-N 436.581 4.666 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1705715908 SWLPHJFLGBUUQA-AZUAARDMSA-N 436.560 4.776 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCCSC 1705748814 ZUPBDESLHXKMEY-UHFFFAOYSA-N 445.814 4.658 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@@H]1C 1705834352 JFGQKVNOGPPZQX-RBBKRZOGSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccnc(SCC)c1 1705835481 LVTVGUISINCSRH-UHFFFAOYSA-N 430.581 4.979 30 10 IJEE C=CCN(c1nnc(CC2CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 1705855815 USBMBVSIHOVTGZ-UHFFFAOYSA-N 437.588 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(OC)CCC(C)CC1 1705872177 NIBQGXKHHDJMNN-UHFFFAOYSA-N 446.599 4.905 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@@H](C)C1 1705877379 FGOAXSQGUJMALZ-WTGUMLROSA-N 429.609 4.663 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)C(C)C 1705879124 NLTHISRMVGEPJN-AREMUKBSSA-N 445.567 4.728 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CCCS1 1706927797 CDQYOWAUTQJRNN-IMRHEYAYSA-N 443.592 4.973 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccc(OC)c(OC(F)F)c1 1708484779 AWWHNWVGHUTSFD-HJPURHCSSA-N 447.530 4.774 30 10 IJEE CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CC)CCC2)cc1OC 1709855070 HWGQVQMTVAYQEE-DEOSSOPVSA-N 441.551 4.765 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1csc([C@H](C)OC)n1)C1CCCC1 1709937968 FXRCUXXKHUWWNP-INIZCTEOSA-N 436.585 4.798 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722329982 OPUQIQLMRRQBRE-QFIPXVFZSA-N 449.643 4.848 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(Cc1ccco1)C(C)C 1722492999 HZSXMIHUYBGAFR-NZQKXSOJSA-N 436.556 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(C)(C)C)C1 1722504322 YYLQLWKRCMGAIX-YYDVJCTNSA-N 442.579 4.850 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)OC)CC1 1722578830 DBGFMCKAUXWBLS-UHFFFAOYSA-N 426.605 4.982 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722598763 BCJIBBXDTNUZLB-QHCPKHFHSA-N 437.632 4.871 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cccn1 1722659673 ZFWKSMHHRDVSER-DHIUTWEWSA-N 448.615 4.676 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H]1CCO[C@@H](C)C1 1722678403 PTFYVFLEBYGSSJ-IRXDYDNUSA-N 436.959 4.582 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@H]1CCC2(CCCCC2)O1 1723419173 DOKGYFOOMXIBPR-OAQYLSRUSA-N 438.620 4.932 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(O)CCCCCC1 1740538385 GKTSJMQVXIRLQF-QZTJIDSGSA-N 426.630 4.675 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(CC)C[C@H]1CCCO1 1740567977 APELQPLABJAZAZ-LJQANCHMSA-N 431.378 4.516 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)c1ccccc1 1740788979 AVWPDVNBBKOCCN-GOSISDBHSA-N 425.964 4.826 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCCC[C@H]2C)CC1 1740826479 MEBOXGRNJQHQIR-HXUWFJFHSA-N 443.586 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1740921254 OMYMWGPUYIIRDD-SFTDATJTSA-N 427.612 4.929 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)C1CCCCC1 1740933415 RKEKGUYINICPKG-SANMLTNESA-N 433.600 4.860 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C1CC(C(C)(C)C)C1 1740938303 BWDKRXBZHPNCNQ-UHFFFAOYSA-N 428.577 4.598 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1C/C=C/CC 1740938735 LFCLDXYAEBQSHQ-VOTSOKGWSA-N 439.785 4.966 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1748737113 XMGHTJZPKXPAIE-AZUAARDMSA-N 442.991 4.738 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1748756214 XNLXIVRCWJWBSY-UHFFFAOYSA-N 447.652 4.692 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC(F)(F)C1 1748944029 IZWIHVAHJWAGQF-GOSISDBHSA-N 425.458 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1cccs1)N(C)C 1749170425 GERAWFHTNSJDKE-SVFBPWRDSA-N 445.677 4.964 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C(C)(C)C1 1749189502 LTQJPMVDOHWBRL-OALUTQOASA-N 431.625 4.841 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1749277062 YQTYQDUZQCPXQX-UHFFFAOYSA-N 428.005 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[C@@H]2CCCCO2)CC1 1749330865 QHSQIDURXLITMM-SFHVURJKSA-N 448.409 4.787 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCSC2(CCCCC2)C1 1749354731 XVPFOWDHPGMAPW-LJQANCHMSA-N 436.666 4.861 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(F)(F)F)CC1 1749398249 BCNPCTGEAPXZDS-UHFFFAOYSA-N 439.482 4.531 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)nc1 1749532601 XYNCQQJAVMLITK-UHFFFAOYSA-N 441.926 4.501 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CCc1ccsc1 1749544538 JLDVYXGASMVXRD-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1Cc1cn2ccc(C)cc2n1 1749547917 ZUMNIRPPSXNQDI-UHFFFAOYSA-N 432.547 4.813 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCCN1CCC 1760101258 LRCKAJYIYLDFCU-SFTDATJTSA-N 430.600 4.524 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOC1CCCCCC1 1760101931 WWIHYVLGOJJEOF-LJQANCHMSA-N 432.572 4.533 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](CCC)C1 1760386633 DUGAVRVFJPUCLG-MRXNPFEDSA-N 427.401 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760413879 XRKCFJDNEHDBMT-HXUWFJFHSA-N 443.680 4.944 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760430050 XYOBNXQJTRZPDN-OALUTQOASA-N 432.012 4.786 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760451130 AFNSJCZGIFPMLD-JOCHJYFZSA-N 426.605 4.554 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1C 1760480587 YYXCECXIDZIIRL-RDPSFJRHSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CCC(=O)N1CCCCCC1 1760486746 XYVVMXGCQKYAKG-UHFFFAOYSA-N 427.618 4.592 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2=CCCCC2)C1 1760538511 TXKVGOIDRYXABS-FQEVSTJZSA-N 443.389 4.989 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC(C)CC2)C1 1760541168 WQIRNYOKXDHMSG-QHCPKHFHSA-N 437.632 4.547 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(N(C)C)CCCC1 1760689895 HABWJPQXXQSLSX-HNNXBMFYSA-N 435.403 4.722 30 10 IJEE CC(C)(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1760764444 FWYCIJFHQYBNCZ-UHFFFAOYSA-N 448.537 4.717 30 10 IJEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1767328484 GCEFLBLUHRHQPT-PMACEKPBSA-N 427.618 4.742 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)nnn3C2CCCCC2)c(C#N)c1C 1859757739 JDEVOIRILTVPLO-UHFFFAOYSA-N 437.525 4.607 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(CNC(=O)c3cccc(Br)c3)cc2)cc1 1860854974 TVCMPUGFIPLTKS-UHFFFAOYSA-N 434.293 4.503 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccn(CCC)c1=O)[C@@H](C)CC 1861283801 GFSQFXWEYGNVFH-UNMCSNQZSA-N 433.637 4.660 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(N(C)C)cc1 1861824933 PVYKSGBCYFDIRF-XMMPIXPASA-N 441.591 4.710 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862443984 VEPIDHWZSBZQGJ-FQEVSTJZSA-N 439.920 4.928 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(O)c1 1862467983 FRTHENJRZICACS-LJQANCHMSA-N 444.325 4.779 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(O)c2)c1 1862489368 AINUBPRAOTWAAL-JOCHJYFZSA-N 433.529 4.892 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(O)c1 1862523461 IFZKRPQLNXIKKX-LJQANCHMSA-N 444.325 4.923 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 1862567862 CALCOELEZFGREW-DEOSSOPVSA-N 442.515 4.754 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862596533 IKXKRSSMULDXAW-JOCHJYFZSA-N 449.528 4.673 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3ccc(F)cc3F)C2=O)cc1 1862944935 NJGRGWHDGHJEBP-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(C2CCCCCCC2)C1=O 1863431088 XWUOTLCXWFCWQE-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE C=CCN1C(=O)C(N[C@@H]2CCCC[C@H]2C)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863706908 RCZCFGCXLLCZOI-AUSIDOKSSA-N 430.548 4.700 30 10 IJEE N#Cc1c(NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)sc2c1CCC2 1866450981 NKZBQVLCCSTKBX-UHFFFAOYSA-N 427.485 4.995 30 10 IJEE CCCCCCCCCCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1C 1870089390 XSAVVLLNVONVGP-UHFFFAOYSA-N 438.568 4.972 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2)cc1Cl 1870146580 ABLBSCWMJDFTPR-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE C=CCOc1cn(Cc2ccc(F)cc2)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870244278 HYZVEJPIRMZTAD-UHFFFAOYSA-N 435.524 4.910 30 10 IJEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2cc(OC)cc(OC)c2)cc1=O 1870809801 WPEBVUVIPNPQMC-UHFFFAOYSA-N 434.536 4.594 30 10 IJEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870838007 KBDSWEJZFMDACV-UHFFFAOYSA-N 440.588 4.849 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871008540 AIFBRWQFBMCNBJ-UHFFFAOYSA-N 430.401 4.679 30 10 IJEE O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1c2CN(CCCn2ccnc2)CO1 1871348832 APHWWPKCZSKXSH-NHDPSOOVSA-N 439.874 4.534 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)C(=O)Nc1ccc(F)cc1 1871401020 RQIASAPEILXCMX-JCRYTKJOSA-N 448.406 4.756 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1871791540 DYXXYSGNPFTPOV-GOSISDBHSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 1872028263 KODQJFOUMPGHJY-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872070032 KSQUNAPKFXKMME-JOCHJYFZSA-N 432.561 4.735 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(OCCCCCC)cc1)S(C)(=O)=O 1872163579 YXBOIYBPHUKLGQ-QFIPXVFZSA-N 438.634 4.837 30 10 IJEE N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763323 JLSXLPRQNBTCHG-CQSZACIVSA-N 428.813 4.770 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1 1872767411 ZSKNJLQWQAPLFZ-OAHLLOKOSA-N 430.316 4.723 30 10 IJEE O=c1c(Cl)c(N/N=C/c2c[nH]c3cc(Cl)ccc23)cnn1Cc1ccc(F)cc1 1873498482 PSMRTYUSXCQVGU-YCPBAFNGSA-N 430.270 4.665 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc2c(N(CC)CC)ncnc21 1873670994 ZXRVXIHUQNWVJQ-UHFFFAOYSA-N 446.599 4.952 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1n[nH]c([C@@H](C)c2ccc(CC(C)C)cc2)n1 1873743315 UBMQGKRCHFPEDJ-SFHVURJKSA-N 434.540 4.737 30 10 IJEE COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)Nc4ccccc4C#N)ccc23)cc1 1873868788 QQDCHEOBLGBTPE-UHFFFAOYSA-N 440.455 4.666 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccs1 1874219911 LFDRJIVWAOMBLC-HYARGMPZSA-N 428.583 4.910 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874284383 DOGHBHKWBBALJY-BUVRLJJBSA-N 442.972 4.981 30 10 IJEE CCCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(OCC)cc1 1874289911 DFMLVIZUOATHAT-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cn(C)c2ccccc12 1874296803 SYDLMPPCIWXSBE-OEAKJJBVSA-N 434.525 4.653 30 10 IJEE CCCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874400130 JIFRIBQAIAWTDZ-FVQJWRHTSA-N 426.542 4.537 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874412263 KWDHFDKATGOISS-UFFVCSGVSA-N 434.974 4.848 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccccc1Cl 1874476001 DAIHZDAEFZBJHQ-WSDLNYQXSA-N 432.933 4.828 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)COc1ccccc1 1875094264 JXDYNRSKYJNCJJ-ACCUITESSA-N 447.443 4.874 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1 1879743337 LVQOJDWZRCADFO-BXKMTCNYSA-N 442.365 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]21 1912178224 KRGGPNONMSSLIX-GCKMJXCFSA-N 434.541 4.606 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1cccc(Br)c1Br 1992886201 OOBMZZYAIGPCGQ-CYBMUJFWSA-N 447.167 4.793 30 10 IJEE C[C@@]1(Nc2cccc(Br)c2C#N)CCCN(C(=O)OCc2ccccc2)C1 1998958197 PCCXMMIXLLVTRS-OAQYLSRUSA-N 428.330 4.924 30 10 IJEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1c1cc(Br)c(C#N)cc1F 2118192818 SUAJTNGABZWFBU-QWHCGFSZSA-N 426.330 4.589 30 10 IJEE Cc1cc(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)ccc1NC(=O)OC(C)(C)C 2124520527 WGJJOIMXTYGRBE-IAGOWNOFSA-N 442.365 4.506 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1 2124538014 DVWMWYNMOPOEGV-UHFFFAOYSA-N 442.365 4.788 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCCC 2126700466 KUFYMGWNYNPNRS-LSDHHAIUSA-N 433.337 4.717 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1ccc(Br)cc1[N+](=O)[O-] 2137385180 MQKNAFJVGODIHX-SFHVURJKSA-N 429.311 4.843 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1cc(Br)cc(C#N)c1 2162295613 JBKVIOYPCRXEPD-RTBURBONSA-N 428.330 4.923 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C#N 2243924207 CUDPFGJVQANSLK-DFBJGRDBSA-N 445.563 4.844 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2243924236 DCQPJBXHRCTSHF-IZZNHLLZSA-N 444.575 4.858 30 10 IJEE CC1(C)OB(c2csnc2C(=O)N(Cc2ccccc2)CC2CCCCC2)OC1(C)C 2255537960 DJFRWSULOBSDMK-UHFFFAOYSA-N 440.418 4.665 30 10 IJEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255704555 JKXAABYEXVSXJK-KRWDZBQOSA-N 436.386 4.779 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2261827559 PUZOJXHZBIZNJQ-RUZDIDTESA-N 445.556 4.553 30 10 IJEE C=C(CN(C)C(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 2268643430 XOWNOVCTAUFFRD-KRWDZBQOSA-N 444.381 4.532 30 10 IJEE CC[C@@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1cccc(Br)c1)C(F)(F)F 2278731834 BUWVENRNSNYFTI-QGZVFWFLSA-N 434.252 4.606 30 10 IJEE CN1C(=O)SC(=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)C1=O 2294028522 QXADBFYEMZCEIT-UHFFFAOYSA-N 429.295 4.566 30 10 IJEE COc1cccc([C@@H]2C(=C(O)c3ccc(F)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1 2296103225 WSOXTTRKSXBLPB-LJQANCHMSA-N 438.480 4.534 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2cccc(Br)c2)CCC12CCC2 2296227223 NAJLIQNIOAOTTE-KRWDZBQOSA-N 432.358 4.940 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2296301810 ZKXHJOGJUPRREW-AVRDEDQJSA-N 435.406 4.862 30 10 IJEE CC(C)[C@](NC(=O)OC(C)(C)C)([C@@H](N)C#Cc1ccc(Br)cc1)C(F)(F)F 2296303584 XUVLLGNBDVWGJV-YJBOKZPZSA-N 449.311 4.610 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CC[C@@]1(C)NC(=O)OC(C)(C)C 2296307945 ARBJLSPYSZOAJS-BVYCBKJFSA-N 435.406 4.862 30 10 IJEE CCOc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296606465 BQSUYNZWWMXDTC-HXUWFJFHSA-N 438.867 4.661 30 10 IJEE O=C1C(=CNc2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 2297378434 PMFBUXDDBJGRJY-UHFFFAOYSA-N 432.473 4.513 30 10 IJEE C[C@H]1[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317335843 MWQUMYAGTROANL-VRLUQSRJSA-N 430.354 4.503 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OCC(N)=O 2323353585 QWOIFTXRJCPYOJ-UHFFFAOYSA-N 427.500 4.851 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C=CC(=O)O)cc4)ccc3C2=O)cc1 2323602982 BMALKQQARODCRM-UHFFFAOYSA-N 442.423 4.628 30 10 IJEE COc1ccc(C=C2Oc3cc(OCc4ccccc4C#N)ccc3C2=O)c(OC)c1OC 2325351620 QDRBPKFNWAESPZ-UHFFFAOYSA-N 443.455 4.779 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4OC)cc(C)c3C2=O)c1 2325736068 FUEIPIROUGVPDM-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE COc1ccc(C=Nn2c(SCCc3ccccc3)nnc2-c2cccs2)cc1O 2330586579 UWROOUJBOYRPKC-UHFFFAOYSA-N 436.562 4.938 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1OC 2330724164 MDLBGNQXJOHDTD-UHFFFAOYSA-N 445.493 4.557 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@@H]2CCCO2)cc1OC 2330889448 UHVXRNCDPULPNR-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1cccc(OC)c1O 2331300873 WGJDNDVEINQFFE-UHFFFAOYSA-N 448.548 4.509 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)C=Cc3cccc(Cl)c3)cc2)CC1 2332187530 QCIYCBSBDDLORW-UHFFFAOYSA-N 446.942 4.681 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339593185 BNSWEKXLCPXEBU-XMMPIXPASA-N 444.381 4.798 30 10 IJEE CC1(C)OB(c2cc(Nc3cc(Br)ccc3Cl)ncc2F)OC1(C)C 2345736271 NZVIDTMNEGFLAF-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CN(Cc1ccc(I)c(Br)c1)c1ccc(C#N)cc1 2349793600 WVDCPBNCJIEMOU-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)CCCN[C@@H]1C(F)(F)F 2370258129 OCQTUEGALHHCPD-WMLDXEAASA-N 448.283 4.767 30 10 IJEE C=CCN1C(=O)/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 2902552 VYGCCIQMFBUYTJ-YVLHZVERSA-N 443.462 4.683 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 11762928 VVLZDLBDNBQROJ-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE Cc1cc(C)nc(NC(=NC(=S)Nc2ccc(F)c(Cl)c2)NC2CCCCC2)n1 14156467 DBLKMXANKGLMEO-UHFFFAOYSA-N 434.972 4.973 30 10 IJEE CCOc1ccc(/N=C2/C(=O)N(CN3CC[C@@H](c4ccccc4)C3)c3ccccc32)cc1 16691472 MPCQRFSKRKETHB-QGGBWGCVSA-N 425.532 5.000 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2F)n1)N(c1ccccc1)c1ccccc1 21077419 ZTHDRFHHFBYEGX-MFKUBSTISA-N 446.511 4.847 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccccc2OC)c(C)n1 32972962 RSCHHFKRCAMDNQ-UHFFFAOYSA-N 433.556 4.625 30 10 IJEE COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1OC 33321212 HAXQYPBSXHWOJQ-CMJOXMDJSA-N 432.476 4.664 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)c1 33401702 CVBRRYAZFXWMHO-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1)c1cccs1 59038874 GDSQJGVQTPGXCZ-ZVBGSRNCSA-N 441.369 4.740 30 10 IJEE COc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3cc(Cl)cc(Cl)c3)S2)c1 100372890 ZBZONPDIOQYHDE-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE Cc1ccc(CN/C=C2\C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1 105336554 DVSBTFIHNVMIKN-KGENOOAVSA-N 438.574 4.529 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1ccccn1 169946723 YHKLXTIRNQMXFL-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccnc2)cc1 170006784 JQIKRIZLEOITFM-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cn(C)c3ccccc23)cc1 170084089 KXFVKUZIEYLPCA-DEOSSOPVSA-N 438.483 4.970 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143373 GWNRHELUOBBYDI-GBXCKJPGSA-N 427.500 4.906 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1ccc(C(C)(C)C)cc1 170150089 HKOZNCIGYSFLOA-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)cc1 170186625 BIRVEOJZBMRJPE-QFIPXVFZSA-N 426.428 4.619 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccncc1)c1cc2ccccc2o1 170207036 IXNSHYAQKJMPLL-NRFANRHFSA-N 432.382 4.889 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccncc1 170209114 KHMNSHHTOKWSPI-HSZRJFAPSA-N 441.531 4.861 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccncc1 170211489 KMRVVLCZFYWLRI-HSZRJFAPSA-N 449.595 4.608 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc2ccccc12 170220984 ZKNGLZFYXXQVEA-QHCPKHFHSA-N 429.472 4.599 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)cc1C 170248939 NOXDSYWUIITCFY-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)cc1C 170259357 YZVWGRVGIOEKOI-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(O)c1 170259993 BVQUJMNOLWHQCB-VOIUYBSRSA-N 441.483 4.807 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccncc1 170339774 YAHLGGMZPBYNQN-IBGZPJMESA-N 441.270 4.877 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OCC)c2)cc1 170359768 PFBGSNFRDLQIOH-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccccc2)cc1OCC 170371844 ZFBGWJCMFQNMRX-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CCc1ccc(OCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1 170509499 QRQWBLLGIPHEGE-UHFFFAOYSA-N 425.492 4.571 30 10 IJEE Cn1cc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(-c2ccc(C#N)cc2)n1 491141080 VPNWEEGBPPWJJT-HXUWFJFHSA-N 442.498 4.527 30 10 IJEE C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1Cl 504070382 KSROOXMWWSGFOL-IQMFZBJNSA-N 447.963 4.555 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 533838063 GAZCKCRQKRKCPZ-UHFFFAOYSA-N 429.476 4.700 30 10 IJEE C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 549253035 WWVQYZJVRNZONO-IZVMNLJQSA-N 446.595 4.761 30 10 IJEE N#Cc1ccc(-c2nnc(N3CC[C@H](COc4ccccc4)C3)n2Cc2ccccc2)cc1 549540213 WQZWNUJGGAVPIJ-QHCPKHFHSA-N 435.531 4.770 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 549645754 ZMFXIUYJINEQMP-FQEVSTJZSA-N 438.616 4.841 30 10 IJEE Cc1cccc(NC(=O)C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c1C#N 560050671 AQXHZUZDLNPPBN-QHCPKHFHSA-N 447.922 4.533 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 571583197 KKHUKZMFOMOJNC-NRFANRHFSA-N 435.572 4.829 30 10 IJEE CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccc(C#N)cc1F 608797993 DZFKMHMFKHFKBE-UHFFFAOYSA-N 429.245 4.908 30 10 IJEE C=CCOc1c(Br)cc(C=Nn2cnnc2-c2ccccc2)cc1OCC 725855626 DGBWRJZXTZPMQX-UHFFFAOYSA-N 427.302 4.553 30 10 IJEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1C[C@H]1c1ccc(F)cc1 728973611 FCXKQEVQXXTIOX-BQFCYCMXSA-N 435.339 4.514 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(c2cccc(C)c2)C(=S)N[C@@H]1c1csnn1 731423846 ORCHTGYRCPEHCQ-LJQANCHMSA-N 440.981 4.936 30 10 IJEE COc1ccc(-c2cc3ncn(Cc4cc(Cl)ccc4OCC#N)c(=O)c3s2)cc1 735231136 WKWIFNVBSGQXHP-UHFFFAOYSA-N 437.908 4.738 30 10 IJEE Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 739115772 FCJSIIHSTXXCQM-NBGIEHNGSA-N 425.532 4.679 30 10 IJEE CC(=O)c1cccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 745313888 ZHZGRJFCJSJVBA-BBRMVZONSA-N 426.444 4.935 30 10 IJEE C#CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCOc2ccc(Br)cc21 776919434 HUNUZNXLFXJVSI-HXUWFJFHSA-N 435.321 4.603 30 10 IJEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 787059953 JVQGLXHOERIRIX-QGZVFWFLSA-N 439.880 4.616 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 792227738 BWXNOAHSCHKNFU-DQEYMECFSA-N 427.504 4.654 30 10 IJEE N#Cc1cccc(COc2cccc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)c2)c1 794710468 HZRKNPPWOIHKFB-UUYOSTAYSA-N 429.863 4.888 30 10 IJEE C#CCN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1nc(-c2ccc(Cl)cc2)no1 914866896 PMSUKSTVMPPUPY-UHFFFAOYSA-N 440.290 4.729 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 1126063461 RPHMMMAKBKPLKD-LJQANCHMSA-N 434.527 4.735 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 1126531765 CXVDOESPMMSPET-LBPRGKRZSA-N 425.963 4.933 30 10 IJEE N#CCCn1ncc(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c1-c1ccccc1 1129628040 DHJGMUAMDJEOBY-UHFFFAOYSA-N 439.441 4.594 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C)c1ccc(Br)cc1 1129730271 FBHZDJVBCQWUQB-KRWDZBQOSA-N 428.717 4.607 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1 1129821367 IEKZMSOOYFIFCB-HSZRJFAPSA-N 431.536 4.539 30 10 IJEE C=CCC(F)(F)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1131004369 ULTLXVUFJDHYLW-OALUTQOASA-N 438.515 4.506 30 10 IJEE N#Cc1ccc(CSCC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)cc1 1133882516 IDXUXBUGYTWOHP-UHFFFAOYSA-N 441.965 4.911 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 1136341197 RSLGNYCOYFGEJM-UHFFFAOYSA-N 425.532 4.851 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1138160149 MYRFTPIVENETFG-FDDCHVKYSA-N 431.536 4.709 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 1141970130 JKMYZJKNCLKAJF-OAHLLOKOSA-N 435.874 4.746 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc2sc(N(C)C)nc2s1 1142766741 HHVYTVNSQQTMPN-NSHDSACASA-N 438.500 4.997 30 10 IJEE C=C[C@@H](C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1150696489 WSPCMALOGQGHKO-IQGLISFBSA-N 426.516 4.957 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(Cc4ccc(Cl)cc4)CC3)C2)c(F)c1 1151974837 BTZCUWDTVMYHSQ-HXUWFJFHSA-N 425.935 4.658 30 10 IJEE N#Cc1c(F)cccc1C(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 1161319316 FGOINOKVQMFPNB-UHFFFAOYSA-N 449.913 4.892 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(Cc2ccc(F)c(F)c2)CC1 1169626236 AFLFMMNVEMLHIG-KRWDZBQOSA-N 429.486 4.694 30 10 IJEE CCCCN([C@H](C)c1ccc(C)o1)S(=O)(=O)c1cc(Br)ccc1C#N 1186025796 GPKCIBNOKWODFN-CQSZACIVSA-N 425.348 4.774 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC(C)(C)CC)C(C)C)nc2sc3c(c2c1=O)CCCC3 1188253245 WKBWORLMSWWLCK-GOSISDBHSA-N 447.670 4.944 30 10 IJEE C#CCN(C)[C@@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 1194058768 VVFDXVYFLXCHCQ-JOCHJYFZSA-N 432.545 4.837 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)sc2ccc(C#N)cc12 1211461521 HBVWKWHGCQALJJ-QUCCMNQESA-N 444.553 4.761 30 10 IJEE CC(C)(NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 1211902697 BMRFAMJSQNHYQV-UHFFFAOYSA-N 445.356 4.957 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 1219084522 PDOGQRQFQXQEQG-WQVCFCJDSA-N 429.405 4.515 30 10 IJEE CC#CCCNC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccc(OCc2ccccc2)c1 1234494606 YQGVTLINNSYXAQ-HHHXNRCGSA-N 442.559 4.924 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 1265372026 ZEDYPUBABWIJSS-UHFFFAOYSA-N 430.342 4.826 30 10 IJEE CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)COc1ccc(C#N)c(Br)c1 1265449803 BBRYNBVXCJOMGP-IBGZPJMESA-N 429.358 4.878 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)s1 1265488453 FNYUAJJCIXXOHS-AWEZNQCLSA-N 433.002 4.902 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1286333657 AXDZHTXAEWPHAN-UHFFFAOYSA-N 446.599 4.569 30 10 IJEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@H]1CC 1286356357 GVCSQRMEPFVUGW-OAQYLSRUSA-N 431.565 4.717 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn(CCCCC)nc1C 1286367213 HLJHAKNJIQUVNN-UHFFFAOYSA-N 428.943 4.550 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2cc(C)ccc2C)CC1 1286547052 MRUPRPHYFKPWSR-SFLYRZDNSA-N 437.632 4.716 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1286633138 UISGWEVUQICQQY-UHFFFAOYSA-N 444.004 4.683 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CC2CC(F)(F)C2)CC1 1286663895 LLSWYXMSOWZLGI-UHFFFAOYSA-N 432.515 4.704 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1286665148 UHLBNVOYPBDAFX-VWLOTQADSA-N 435.660 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286667358 JLPJOBIDYQQCGP-GOSISDBHSA-N 443.039 4.906 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1CC(=C)C 1286760519 OATQTWBRFFKFMS-UHFFFAOYSA-N 440.389 4.857 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1286767510 VICGYHOASIQEQG-LJQANCHMSA-N 449.452 4.600 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C/C=C\CC)C1 1286805935 VRWQXSFPJAWASH-KJPDOMRESA-N 435.341 4.594 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(O)cc1 1286960087 CCGLYAFHHBNJAN-SJORKVTESA-N 435.597 4.676 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccnc2C(=O)c2ccc(F)cc2)cc1OC 1287314169 MXUHVNJOEIYPHZ-NTUHNPAUSA-N 432.451 4.677 30 10 IJEE C=C(C)C[C@@H](NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC 1288353880 AORDPUCRSXICJX-RHSMWYFYSA-N 436.961 4.631 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)C4CC4)c3)o2)cc1 1289092067 DMGOXCNXXXBQIZ-UHFFFAOYSA-N 435.867 4.984 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1292520983 BIKAKGYROBNGOH-IBGZPJMESA-N 437.927 4.904 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 1300361045 AHEANYBNKRLIRJ-HKBOAZHASA-N 441.620 4.575 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC[C@H]1C 1300516365 LXVAXMTZIXNWAA-CVEARBPZSA-N 445.792 4.870 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCC(C)CC2)nc1 1300617073 UHKHGWHZPSXKRF-UHFFFAOYSA-N 449.002 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC)(CC)C1 1300890425 GSWXHSNCWDATES-QPPBQGQZSA-N 449.599 4.726 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCCCCCC1 1300896527 GOYSZCPRFASSIK-GBXCKJPGSA-N 440.588 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cc(Cl)c(OC)c(OC)c1 1300905679 UKWNFDQQVMXEKX-UHFFFAOYSA-N 430.936 4.968 30 10 IJEE C=C(Cn1c(C)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 1301003999 RUCWBBSALZXNGS-CBQGHPETSA-N 437.588 4.667 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC=CO2)CC1 1301111817 GDWDHROYZWYORZ-LJQANCHMSA-N 429.362 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301139991 YIBFLTLSKDXMKV-JKSUJKDBSA-N 448.409 4.501 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1301247002 ZZXCUZTYDIXPAB-IRXDYDNUSA-N 449.368 4.532 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCCCCC1)C(C)C 1301366639 GPEHNDXMJQFVCF-DHIUTWEWSA-N 429.653 4.641 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1ccc2c(c1)CCCN2C 1301413305 RYTVKTDBVOWJKI-UHFFFAOYSA-N 433.600 4.735 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)C1 1301554007 WMFFIJGCCFWYTQ-IRLDBZIGSA-N 435.547 4.700 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)OC(C)(C)C1 1301597560 SOBSISXGIBNCIP-GOSISDBHSA-N 437.613 4.725 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCCC2)cn1 1302551415 GCMRIGRVTXXYLS-UHFFFAOYSA-N 429.572 4.947 30 10 IJEE N#Cc1sc(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)nc1Cl 1310857503 CSDALVPNRJULSM-UHFFFAOYSA-N 430.839 4.514 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1311970098 AEMDYNRFRQEGNW-QFIPXVFZSA-N 439.556 4.972 30 10 IJEE C=CCC[C@@H](NC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F)c1ccccc1 1312333990 GCVBSOJJFQTPCJ-RTBURBONSA-N 431.458 4.513 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H]1CCCCO1 1315331925 FFCHXEPUDLXHHT-MBSDFSHPSA-N 443.979 4.696 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl 1349911162 NYHZRJLLRMEMQC-UHFFFAOYSA-N 438.785 4.940 30 10 IJEE CC(C)Oc1ccc(CC[C@@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)cc1 1351029301 CKEVATRYMNJMEW-MRXNPFEDSA-N 445.357 4.624 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(Cl)cccc1[N+](=O)[O-] 1352317662 JEJSWZHKTUUJNX-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2C#N)cc1Cl 1353138693 GOPJHOWIQXXOPY-UHFFFAOYSA-N 434.721 4.708 30 10 IJEE C=CCc1cc(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc(OC)c1OC 1357213527 QEYWDGVRHCLCJL-UHFFFAOYSA-N 431.414 4.889 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@@H]1CC 1358918164 MNTCUOKISHTQDW-UFYCRDLUSA-N 429.609 4.778 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC=C(C)C1 1359105497 PZVKOSKKGVZECS-AUSIDOKSSA-N 440.613 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1c(C)nn(-c2ccccc2)c1C 1359110690 XKXDGPPLPNCJMU-UHFFFAOYSA-N 427.556 4.593 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCCO2)n1Cc1cccc2c1OCCCO2 1359196522 KFAYYOVEHBQGKQ-JOCHJYFZSA-N 440.588 4.912 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1359219091 GQNCRNUDEHAHJY-INIZCTEOSA-N 449.393 4.590 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccsc1Br 1359237192 OVEXMQVFZKIKQZ-UHFFFAOYSA-N 442.386 4.931 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCS1 1359254993 KLYSQZVLXQAGJR-UNMCSNQZSA-N 442.629 4.659 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@H]1OCCC1(C)C 1359276821 RCFMDQGDXWAGET-JOCHJYFZSA-N 436.556 4.597 30 10 IJEE C#CCN(C(=O)Cc1ccc(OCC=C)cc1)[C@H]1CCOc2ccc(Br)cc21 1435176432 UUKHEJJOEJLRRH-NRFANRHFSA-N 440.337 4.542 30 10 IJEE C[C@H](CC(=O)OCc1ccccc1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1435562756 AQHYRFUXTMVVEJ-GOSISDBHSA-N 430.529 4.961 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1OC 1435606543 DWXAMQMQCDFTPL-LUQQZNFBSA-N 431.536 4.515 30 10 IJEE CC(=O)N[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2)c1ccc(F)cc1F 1436522128 BQJZAAFRPDNGKL-VBKZILBWSA-N 445.535 4.865 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1 1458132766 FJGKBMSUDDNVPG-AUSIDOKSSA-N 426.582 4.545 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1c2ccccc2CC[C@H]1C 1458292605 AMUHCCPBRTZCGT-SZNDQCEHSA-N 443.341 4.538 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 1458337746 HYYVLZAZCUCHSW-GOSISDBHSA-N 437.588 4.615 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCc2cnsc2)c1 1461662491 JCWNTLCFNFKFJM-UHFFFAOYSA-N 448.953 4.535 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)/C(C)=C/c3c(Cl)cccc3Cl)c2C#N)C1 1461785363 GMSQXMBJNNPPRB-DHZHZOJOSA-N 434.348 4.873 30 10 IJEE COc1ccc(NC(=O)CCc2cc(C(F)(F)F)ccc2Br)cc1C#N 1462310686 CNVMKQZYBKYONY-UHFFFAOYSA-N 427.220 4.919 30 10 IJEE CC[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)Cc1cccc(Br)c1 1463123609 FHXQSPQGZJAIJH-ZDUSSCGKSA-N 441.778 4.521 30 10 IJEE C=CC[C@H]1CCCN(S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 1464035699 UAZKVMKZEWWWGP-ZDUSSCGKSA-N 427.389 4.549 30 10 IJEE N#Cc1ccc(NC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc1 1467099210 HULIHNMAZYRLKO-UHFFFAOYSA-N 442.910 4.824 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCCc2ccccc21 1468985924 OZMALCJKKYXVPY-FGZHOGPDSA-N 435.955 4.558 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 1473163561 KTQPYXSKEUHPEQ-MBSDFSHPSA-N 447.595 4.698 30 10 IJEE CN(Cc1ccccc1-c1ccccc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1474908743 AKOYIYSAJYVAAD-UHFFFAOYSA-N 441.350 4.808 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1)c1ccc(F)c(F)c1 1478471083 MXEUJDYDBSONLC-QHCPKHFHSA-N 433.543 4.796 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)CC(C)(C)C1 1494252269 HGMJESQOGMLBHX-NQIIRXRSSA-N 432.572 4.585 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CC2(CN3CCOCC3)CCCCC2)CC1 1507903764 UPKASAXADMULJV-UHFFFAOYSA-N 443.680 4.552 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](C)OC(C)(C)C1 1507960179 WITJBVSWSIEZBV-MSOLQXFVSA-N 444.645 4.728 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnccc1OC 1507967805 KKWCYSDRZMEKLD-QGZVFWFLSA-N 441.963 4.762 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1CC1CCCC1 1508002884 PJRRLFWILSUPMX-UHFFFAOYSA-N 435.597 4.652 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1508164256 HXZHWJYJWXJRLH-IFMALSPDSA-N 426.630 4.760 30 10 IJEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1508164261 HXZHWJYJWXJRLH-RBBKRZOGSA-N 426.630 4.760 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1508166479 AAZSLWPRYOYTQI-WMQCIHAUSA-N 430.593 4.930 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(Cl)c(I)c2)cc1 1514993289 HBODCGIGOUHBLJ-UHFFFAOYSA-N 428.653 4.866 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)cc1OC 1524755835 HEOTXVSIPSBATE-UITAMQMPSA-N 432.442 4.790 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(COC)c(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1527833382 UMVWQKNIGKKJQV-OAQYLSRUSA-N 440.462 4.583 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 1536750218 PGTFGFSTMCIWNA-GFCCVEGCSA-N 445.363 4.709 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(Br)cnc2Br)cc1 1537416181 FUMQXIBFXUUNQI-UHFFFAOYSA-N 441.144 4.689 30 10 IJEE C#CCCOc1ccc(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)cc1 1537807189 HJTFUZZAVFRIGT-UHFFFAOYSA-N 447.918 4.934 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1539052148 NFVPMMCIKBJIRQ-QUCCMNQESA-N 443.389 4.516 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCSC1 1539298974 BTPORJYOTSYILD-IBGZPJMESA-N 447.633 4.593 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@H](C)C1CCC1 1539643492 WNJRDOFTKLGJJA-WWEVIYMKSA-N 442.579 4.992 30 10 IJEE C=C(C)Cn1c(N2CCCc3sccc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733544 DKUPIKVWPXZEID-HDICACEKSA-N 443.617 4.639 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1539811110 BFMISSATIQJSFO-IBGZPJMESA-N 429.977 4.736 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1539928724 GNEIABONCOIZDL-MSOLQXFVSA-N 433.641 4.917 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCC(C(=O)NCCC)CC1)c1ccccc1 1539939589 JANQSISKKBJXBD-HSZRJFAPSA-N 435.616 4.648 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1539986085 SZNJJBNLPHYFLY-LJQANCHMSA-N 443.345 4.845 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1540047009 DCJHNQKRHMYOTE-ZCNNSNEGSA-N 443.611 4.936 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN(C)CC(F)(F)F 1540051805 ORFPRIZWTHVPOX-UHFFFAOYSA-N 443.926 4.930 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCC1 1540136277 GDZPETLSNLHKAT-OAQYLSRUSA-N 428.552 4.811 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(OC(C)C)nc1 1540161897 PVPDBVNOKGUMNV-UHFFFAOYSA-N 442.567 4.846 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1540855537 YSFXYQYIBKVQMN-UHFFFAOYSA-N 442.489 4.800 30 10 IJEE CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1544761127 FIYWMDJBWGIFMN-UHFFFAOYSA-N 434.490 4.784 30 10 IJEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)Cc1cccs1 1547547834 BLDIRBYXYHYBDG-RXVVDRJESA-N 435.597 4.762 30 10 IJEE C=CCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 1559388008 UONYWOZKWLQSDO-UHFFFAOYSA-N 437.352 4.859 30 10 IJEE CCN(C(=O)COc1c(Br)cc(Br)cc1C#N)C1CCCCC1 1559473029 GINDHZSJVWUMBU-UHFFFAOYSA-N 444.167 4.643 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](Cc2ccc(F)cc2)C1 1559547630 ADTZWHGYXPXWGM-WMZOPIPTSA-N 425.573 4.919 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCCC[C@H]3[C@H](O)c3ccccc3)c2C#N)C1 1559642945 HNCRRGRHHRZBQV-QATBIIFWSA-N 437.609 4.661 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1562166864 GKJNQDHKQODGTM-UHFFFAOYSA-N 431.558 4.528 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 1564205460 GFIVDNVLHPRZFN-MRXNPFEDSA-N 433.346 4.623 30 10 IJEE CCOC(=O)[C@](C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 1567647743 GALQMVVUODPLGV-AREMUKBSSA-N 444.556 4.960 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)o1 1584339259 ASVXERCXTFBAQO-QFIPXVFZSA-N 443.547 4.762 30 10 IJEE C=CCCC1(CNC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)CCCC1 1586149668 UXRNUUBAMRQHSN-UHFFFAOYSA-N 426.582 4.768 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 1587714098 ONVVYFOOQZGBRH-UHFFFAOYSA-N 440.293 4.563 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(-c4nccn4CCCC)c3)n[nH]2)c1C 1588032061 JWVVBIXVFUNWOS-UHFFFAOYSA-N 443.555 4.992 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC(=C)Br 1588559049 DBMKFEWMXRPTIW-UHFFFAOYSA-N 431.353 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CCc1ccc(Br)cc1 1589206877 CDKOHPKILRGOBW-JOCHJYFZSA-N 427.390 4.933 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1589296603 VITPHUWOLUCNGI-IAOVAPTHSA-N 435.341 4.701 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC)(CC)C1 1589449479 GWXWSPMUQKDLKE-UHFFFAOYSA-N 437.357 4.921 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(CC)CC)CC1 1593703602 KKNMSJDBRBXVCR-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1595108574 CXDWNOLRZNWHRP-MOPGFXCFSA-N 449.521 4.903 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1Cc1c(C)noc1C 1595133957 PMIWDNDVHJIAEI-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@H]1N(C)CCCC1(C)C 1595134033 QRGLYNQWLPVPBD-JOCHJYFZSA-N 427.612 4.929 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCO[C@H]1C(C)C 1595184980 JJJOHVICFNYCBO-APWZRJJASA-N 448.409 4.665 30 10 IJEE CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC)CC2)C1 1614386653 FQPGUNOSKVTPFX-DENIHFKCSA-N 448.615 4.528 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc(Br)c(OC)c2)CCCN1C(=O)OC(C)(C)C 1617356312 AEEGBHQUUKZWHC-FQEVSTJZSA-N 440.334 4.709 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(Cc2cccc(F)c2F)CC1 1618484277 DMHDRQGEJAFKAA-CQSZACIVSA-N 429.536 4.668 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(Oc2cccc(F)c2)CC1 1620445221 ACVZKGWODVHXLC-MRXNPFEDSA-N 441.572 4.898 30 10 IJEE C=CC[C@H](NCc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(=O)OCC 1621309739 TYNIVATZVHXSRS-NRFANRHFSA-N 425.529 4.693 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1)c1ccccc1 1622834094 VJNJBTGICYZVOP-LVCYWYKZSA-N 428.602 4.971 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)c1 1622954438 ICXTUBHRLQDXRS-UHFFFAOYSA-N 448.336 4.503 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N 1623085379 AEYHXVRMSZXZBE-JENIJYKNSA-N 425.554 4.623 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCCC1 1624189776 IFLJQMGBTFIZOQ-UHFFFAOYSA-N 428.554 4.505 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC(c3ccc(F)cc3)C2)c1 1624882018 FLJHKOZZDMJLAG-UHFFFAOYSA-N 445.519 4.668 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2csc(C)n2)cc1 1626150344 KTQBFECXSVNXLW-IBGZPJMESA-N 429.586 4.984 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1627747610 ZVOBTXFPVMTIBT-KBXCAEBGSA-N 425.356 4.773 30 10 IJEE C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC1CCN(c2ccccc2C#N)CC1 1629996210 ACLJHJPAPZUCNH-LJQANCHMSA-N 434.584 4.591 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)CC2)cc1 1631640069 HRLXSUVBDZTJCA-NRFANRHFSA-N 442.485 4.745 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C(F)(F)F)cnc1O 1632117954 BMVZAWPCFOSTMZ-UHFFFAOYSA-N 433.199 4.536 30 10 IJEE N#CCCN1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1 1632348745 GXVYPOWQRMSHQZ-UHFFFAOYSA-N 431.561 4.666 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1ccc(OC)cc1 1640638533 ZPCFMGKHAGKLQC-HXUWFJFHSA-N 438.528 4.567 30 10 IJEE C=CCC1(NC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCCCC1 1640769845 XJQBGICUSYAKGX-UHFFFAOYSA-N 425.598 4.584 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCCC1CN(C(=O)OC(C)(C)C)C1 1643805959 OEMWKUSQVVMAQO-UHFFFAOYSA-N 444.601 4.701 30 10 IJEE N#Cc1ccc([C@H](O)CN2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)cc1 1644504194 GJCYLEVCDCJXIR-CLJLJLNGSA-N 431.967 4.652 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1651540518 RZXCYHBDDMDLIE-CABCVRRESA-N 445.654 4.698 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2COc2ccc(F)cc2)n(C2CCCC2)c1C 1654917891 AFYPILBNTBRFIB-NRFANRHFSA-N 438.547 4.713 30 10 IJEE C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCN(c2ccc(F)cc2C#N)CC1 1655357517 FMVRDEUJMUNNEJ-IBGZPJMESA-N 444.510 4.639 30 10 IJEE CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccccc1OC 1655392454 CJWHIRYGRHHXGV-QFIPXVFZSA-N 434.515 4.793 30 10 IJEE C=CCCn1cc(CNc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)nn1 1656159394 AOZFVSCQEGSHMZ-UHFFFAOYSA-N 425.455 4.510 30 10 IJEE C#C[C@@H](N[C@@H](C)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1F 1658081235 HITRZUFNNQXLGC-KSFYIVLOSA-N 426.919 4.988 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccc(OC)cc1OC)CC1CCC1 1659604815 VTYSIVSPFMXZML-UHFFFAOYSA-N 426.488 4.689 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 1660396071 HCCPIWCJLBRNRU-QAPCUYQASA-N 439.762 4.563 30 10 IJEE CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cc1 1666789552 CVZUGFWBSHFXBY-UHFFFAOYSA-N 447.560 4.783 30 10 IJEE COc1ccc(NC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1C#N 1673854414 CDNPKNZFJSQMFT-IBGZPJMESA-N 433.430 4.970 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccc(Cl)cc1F 1674036683 SMYQPERCLZMWTR-QHCPKHFHSA-N 439.962 4.851 30 10 IJEE CCC[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 1678093919 DMAULFLTDHKKFY-QFIPXVFZSA-N 444.501 4.946 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)C1 1681771273 QMDFFTCOKBYKSD-HSZRJFAPSA-N 447.579 4.738 30 10 IJEE C=CCC1(NC(=O)NCc2cc(Cl)c(I)cc2OC)CCCC1 1681863588 IWZZLZWAFJXRNG-UHFFFAOYSA-N 448.732 4.641 30 10 IJEE C#CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC)C1CCCCC1 1682892289 MUKAWAMXJMYVQY-JOCHJYFZSA-N 427.589 4.792 30 10 IJEE C#C[C@H](NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl)c1ccc(Cl)cc1 1683502855 WKFOLDHZWDQNOR-INIZCTEOSA-N 426.731 4.873 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](SC)C(C)(C)C 1690003549 QGVYOANRCXJUOY-JOCHJYFZSA-N 431.609 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1cccc(C)n1 1690214660 RKCIXSKMPLJFEK-XLGIIRLISA-N 435.616 4.525 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1ccccc1C 1690249793 ANFJIGIDQGZANL-XTJBDQBJSA-N 431.584 4.751 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCc1cccs1 1690287607 JWHVMQGRBANNBG-GOSISDBHSA-N 445.633 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690436003 KAPIOODZYPGGGK-OAQYLSRUSA-N 434.588 4.741 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1690518791 VLPZFDVYWXDJHE-UGKGYDQZSA-N 437.613 4.721 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1690633191 ONKJQYYBGRUWAQ-OAHLLOKOSA-N 449.374 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccc(Cl)nc1 1705483665 ZNFKNPPSGSPUFV-AWEZNQCLSA-N 444.764 4.571 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccsc1)N(CC)CC 1705608556 WGLXFNQJZGBULL-LJQANCHMSA-N 443.020 4.598 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@@H](C)C1CCC1)c1ccccc1 1705743652 DWVBXJARVBKPHP-IBGZPJMESA-N 449.624 4.998 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC(C)(C)C1 1705748094 BUDAMIXXKYFITQ-UHFFFAOYSA-N 434.968 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705790849 HSXZSNAVWCNKJN-FQEVSTJZSA-N 440.567 4.687 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCCCC1 1705798598 XAKHAGNLYPKDMS-UHFFFAOYSA-N 440.588 4.594 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C(C)C)C1 1705878088 UCNXUIMPRKLNGH-DEOSSOPVSA-N 444.627 4.696 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(COC(C)(C)C)c2)C1 1705917498 WYTPPMQRAZDMFO-OAQYLSRUSA-N 426.605 4.720 30 10 IJEE CCOC1CC(CCn2c(-c3cccc(Br)c3)nnc2N(C)C[C@@H](C)C#N)C1 1710578458 BIOQKOHLENGSGS-LYGPFTKASA-N 446.393 4.509 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCC(F)(F)C1 1712453270 HYWYAPZRXVFGGD-SFHVURJKSA-N 447.530 4.536 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)cc1C(F)(F)F 1722284472 YGBMIMRDTTXTLH-CYBMUJFWSA-N 449.864 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C1CCCCC1)N(C)C 1722290297 DBRCWTQWPJYCAB-WMZHIEFXSA-N 446.599 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCCS1 1722395124 RBVQYAYSULNHSJ-HXUWFJFHSA-N 447.633 4.736 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1722416365 LMPKIHDYEOJULV-DNGCBJQESA-N 436.600 4.589 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CCC(C)(C)C)CC1 1722524740 NYOCJVBHKIBBQK-UHFFFAOYSA-N 425.621 4.608 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1722583831 ZXCMSCXHIKWEEI-NBGIEHNGSA-N 440.588 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](COc2ccccc2)C1 1722589531 SEYSYIPZVKNRQL-QFIPXVFZSA-N 448.615 4.647 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722590624 GRNRUXPADGZAKB-UHFFFAOYSA-N 438.576 4.773 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCS1 1722652810 NWXYQVGFISXYRX-NRFANRHFSA-N 437.613 4.771 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CC1(N2CCCC2)CCOCC1 1722656500 WUGKEHMGAGFNBX-JOCHJYFZSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H](C(C)C)N1CCCC1 1722659467 VEJNJGWMWLOBPJ-DEOSSOPVSA-N 448.590 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CCC(=O)N1CCCCC1 1722663172 VBSRYKIOAMNHOQ-UHFFFAOYSA-N 449.624 4.910 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1c(C)nn(-c2ccccc2)c1C 1722668310 ONSHKKQIGCSZAX-UHFFFAOYSA-N 428.540 4.876 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1ccc(C)s1 1722678147 UJTXQWZGBVQLRM-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cscc1C 1740542517 WVOFITWXEKAUGZ-CQSZACIVSA-N 445.386 4.592 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740590469 FEHOSQLOBXSGRO-XLIONFOSSA-N 439.337 4.581 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCc1c[nH]nc1C 1740727085 YUEUQDDEFNFXAB-AREMUKBSSA-N 430.600 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](OC)C(C)(C)C 1740727202 CRAYWCDTLCGQDV-ATIYNZHBSA-N 431.584 4.855 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCCCCC1 1740757050 RYDJCOMXHFKVEB-WMZHIEFXSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2csc(C)n2)CC1 1740820284 XGSJNAGSOCVSOB-UHFFFAOYSA-N 444.402 4.872 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1740820872 VETFFAKDJQLPHH-GOSISDBHSA-N 428.993 4.514 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2c(C)noc2C)CC1 1740842002 IRTDXBHRHPMSLY-UHFFFAOYSA-N 441.963 4.760 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1740853781 IXXVIGSECDCPAZ-GOSISDBHSA-N 442.489 4.874 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740870374 FUOHUXDJMABMED-VXKWHMMOSA-N 437.632 4.917 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1740922463 IGGQIIPWULCGNG-OAQYLSRUSA-N 433.581 4.886 30 10 IJEE Cc1csc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)C(C)C)CC2)n1 1742540057 DQHFOKPFOLKVEC-UHFFFAOYSA-N 449.628 4.591 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCCCC1 1743928067 GMACYAABCPXPKN-XUZZJYLKSA-N 438.595 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 1748641162 DRNCLEWTIGCRAX-FYQPLNBISA-N 444.023 4.650 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1748703370 OKTFVCCEZNNSFG-ZCNNSNEGSA-N 439.673 4.854 30 10 IJEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)CCc1cccs1 1748719251 WPMNOEJPOLHYRZ-JOCHJYFZSA-N 436.581 4.725 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCSC(C)(C)C1 1749048528 PEDTWVXVVVDBFC-UHFFFAOYSA-N 432.684 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1749146825 OJBYQNIKYJZWPZ-OFNKIYASSA-N 430.980 4.729 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2C)C1 1749174965 JNIIQOVCMWJANT-MRXNPFEDSA-N 426.362 4.914 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 1749210022 AWPBPMYHXBQGOH-UHFFFAOYSA-N 436.604 4.748 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1749261588 VYPHYRCAHYYSOH-KRWDZBQOSA-N 448.995 4.889 30 10 IJEE C=C(Cl)Cn1c(N(C)Cc2c(F)cccc2Cl)nnc1[C@@]1(OC(C)C)CCOC1 1749281416 BTKMOPKTVAWBSX-HXUWFJFHSA-N 443.350 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1749369162 XJVJURABJHSMOQ-UHFFFAOYSA-N 437.632 4.998 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCCN(CC(F)(F)F)CC1)c1ccccc1 1749382278 LCOQVCFWXARYMJ-HXUWFJFHSA-N 435.538 4.836 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCC1(C)C 1749540798 BVECQCPULLLOSW-LJQANCHMSA-N 427.568 4.574 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC(=C)Br 1749546625 CRCNBKQMZWGYFS-UHFFFAOYSA-N 442.336 4.889 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2COc3ccccc3O2)n1CC(=C)Cl 1749552801 BDSQQSOVBUKPOB-LJQANCHMSA-N 428.945 4.797 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ccccc1 1749600664 IRLGBEJQHARAKD-KSEOMHKRSA-N 426.605 4.639 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC=C(Br)C1 1749642449 GNRONHCUSVEINZ-UHFFFAOYSA-N 444.160 4.839 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(CCOC)CCC2)C1 1749700695 MTTGGZQHAMWMEU-GOSISDBHSA-N 448.970 4.726 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749762008 LSSNFQYDZYPXPL-NRFANRHFSA-N 428.650 4.585 30 10 IJEE CS[C@@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1750229959 GTDBDFNWJBBMFA-HOTGVXAUSA-N 434.009 4.953 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](CC)C1 1760130117 DKXWALQTMMABTP-HXUWFJFHSA-N 435.597 4.796 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)OC(C)(C)C1 1760132318 HDFBNMVXMSNBJV-ZWKOTPCHSA-N 426.630 4.939 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1ccc(Cl)s1 1760199135 URMGFTWTGITBMM-UHFFFAOYSA-N 433.339 4.768 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cn2ccsc2n1 1760230038 OHUQLOZLWXAZFF-UHFFFAOYSA-N 448.596 4.587 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1760277087 ZVAMOAMLFLDSJH-FQEVSTJZSA-N 434.396 4.748 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2CCC[C@H]21 1760302427 CQLSAQJOAGBVTR-DLBZAZTESA-N 447.377 4.638 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(Cl)cccc2OC)CC1 1760390694 QGBUXPKRSHGHCJ-UHFFFAOYSA-N 429.977 4.501 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(F)(F)Br)CC1 1760403592 ZCBDQTFGTUBKBC-UHFFFAOYSA-N 445.739 4.912 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)Cc1ccccc1 1760457069 FMFIUELPWSRKII-LJQANCHMSA-N 435.641 4.886 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CCOc1ncccc1Cl 1760491917 ZDPVXLCZMZIYFG-UHFFFAOYSA-N 430.339 4.904 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(N(C)C)CCCCC2)cc1 1762577064 BPYWHPSRZSEBHQ-UHFFFAOYSA-N 434.632 4.902 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccsc1Br)C(C)C 1764765148 IAKPZHPRIPOYEX-UHFFFAOYSA-N 430.375 4.924 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12 1858244277 GLMHUWQHSZSIKB-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CSc3nc(-c4ccccn4)cs3)c2C#N)C1 1860813786 JYAJYJUEPXVBDJ-GFCCVEGCSA-N 426.592 4.994 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1862384551 UZBXKZJCCSMBRZ-QGZVFWFLSA-N 433.247 4.666 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CC(C)C)ccc1O 1862436867 DBPJWJCFYJAEKW-HXUWFJFHSA-N 429.900 4.679 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(C)c1 1862443762 SIWSDQZAAKAJSM-JOCHJYFZSA-N 440.971 4.959 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)c1 1862459229 FNIIHQYPQAAEPW-MPBGBICISA-N 433.426 4.879 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2cccs2)cc1 1862476182 FAKQZKDFMWPLJZ-JOCHJYFZSA-N 433.529 4.886 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862476703 NCGGWNZHCDUZTD-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(O)cc2)c1 1862490132 OHWPSWZPBOHQLD-JOCHJYFZSA-N 433.529 4.892 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(F)cc2F)cc1 1862534346 REGJUJZPVZKNEN-QFIPXVFZSA-N 443.490 4.921 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1862536196 STMKGVPMURCMQV-FCORRRHLSA-N 435.520 4.817 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)cc1 1862625207 ASSKAGWJSLKUNA-XMMPIXPASA-N 441.483 4.811 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1 1862628054 UPKGAJWAWAMTJG-IGCHPXFFSA-N 449.503 4.581 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862676766 QPRCTINPRXYYPD-MMACOIQUSA-N 438.455 4.891 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862720773 DNQOHIUSAXQVJQ-VWLOTQADSA-N 438.527 4.987 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2cccc3cccnc23)C1=O 1862752183 YHXZFOMSHPWZGV-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE C#CCOc1cn(Cc2ccco2)c(CN(Cc2ccccc2)Cc2ccccc2)cc1=O 1870561766 BZVANEJIDVVDGF-UHFFFAOYSA-N 438.527 4.704 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc3[nH]ncc3c2)cc1=O 1870809329 WMNSSNCZWSNYDU-UHFFFAOYSA-N 439.519 4.626 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(Cl)cc1Cl)C3=O)CN(CCN(C)C)CO2 1871352638 VHDONSQCUKUYPU-OCKHKDLRSA-N 433.335 4.632 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871452142 HGOJKJSMIRAUMC-OYKKKHCWSA-N 445.471 4.728 30 10 IJEE CCCCCCCCCCN=c1nc(N2C[C@@H](C)O[C@H](C)C2)[nH]c(=Nc2ccccc2)[nH]1 1871601849 QYWLBJDWEOONJM-NHCUHLMSSA-N 440.636 4.625 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871877033 XHEIQPQTTGFYAR-LJQANCHMSA-N 441.380 4.978 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871883759 LDEKAZMHNPLILD-OAHLLOKOSA-N 441.380 4.814 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CC 1872291337 ZPQAVGQHURGSPZ-QHCPKHFHSA-N 428.598 4.612 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C(C)C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872435945 XTUOYUIFLVGSSI-QHCPKHFHSA-N 428.598 4.958 30 10 IJEE CCCCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1c(C)cccc1CC 1872711446 XXHJKLJQBYPJMM-UHFFFAOYSA-N 444.576 4.828 30 10 IJEE Cc1cc(-c2csc([C@H](C#N)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)ccc1F 1872771944 GHTKZBPFWAVOIU-OAHLLOKOSA-N 426.385 4.564 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Cl)cc2Cl)=C(c2cc(F)c(F)cc2F)C1=O 1873239155 BWQURHMYUAXXCP-UHFFFAOYSA-N 427.209 4.789 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCCC)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873330704 POCYJZMCZOKFEV-UHFFFAOYSA-N 432.520 4.557 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422618 GMKVWAKCMSASKK-UHFFFAOYSA-N 441.531 4.871 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/n2c(S)nnc2C(C)C)cc1C 1873500767 CVTVSYLYIQQZEG-ZMOGYAJESA-N 432.553 4.742 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc(Br)c1)n2CC(C)C 1873613081 WNPIOJQMHRNCLX-UHFFFAOYSA-N 428.334 4.700 30 10 IJEE C=CCSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccccn1 1874198537 GOXOEEFJTSNHOW-NLRVBDNBSA-N 429.549 4.998 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccccc1O 1874219861 IFRDHOMLYZHUJA-BUVRLJJBSA-N 438.553 4.554 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccco2)cc1 1874393891 WASCDNYIHCDNLC-BIKZULFDSA-N 445.548 4.944 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(CC(C)C)nnc2SCCCO)cc1OC 1874491491 UKCFCEKCZZOZDB-JJIBRWJFSA-N 448.633 4.801 30 10 IJEE COCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874500159 JCZXODNEDRNDJV-UFFVCSGVSA-N 435.322 4.501 30 10 IJEE CCc1nnc(SCCCO)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874527447 PIHWYRQKYPAEON-YZSQISJMSA-N 446.576 4.929 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OCC(=O)Nc1nccs1 1874611475 KYEAXWGRJAPHEM-XVNBXDOJSA-N 444.459 4.734 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1cccnc1 1875104187 KTBNYUGQCMJYJO-VAWYXSNFSA-N 429.472 4.943 30 10 IJEE COc1ccccc1C(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 1875157681 KDXJFOUOYUECSL-MDWZMJQESA-N 436.435 4.967 30 10 IJEE COCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1OC 1875191274 GFVZDRSZLFOMDU-QPJJXVBHSA-N 439.291 4.849 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1922104640 SVHZNYYGRWDIBQ-KNQAVFIVSA-N 442.522 4.927 30 10 IJEE COc1cc(C=CC(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1OCC#N 2040483280 PZDGCVUGPOSIBG-QHCPKHFHSA-N 436.558 4.908 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1F)NC 2047972643 FMEWZKHWKVDICL-KGLIPLIRSA-N 435.765 4.842 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048502637 AVZJXYWFCCFCIC-IRXDYDNUSA-N 430.770 4.621 30 10 IJEE C=C(c1ccccc1)[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2076577580 AHDAAVBIUGOJMB-SQHAQQRYSA-N 435.612 4.847 30 10 IJEE CC(C)(C)c1nn2c(Cl)c(C#N)cnc2c1-c1ccccc1I 2081223332 ORMIJXXKNVSOHM-UHFFFAOYSA-N 436.684 4.823 30 10 IJEE N#Cc1cnc2c(-c3cc(F)ccc3I)c(C3CC3)nn2c1Cl 2081445134 LNDSLZJMGVWXEA-UHFFFAOYSA-N 438.631 4.542 30 10 IJEE C#CCN1CC[C@H](NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2083721515 XNVHRYYRJFHETL-SANMLTNESA-N 426.560 4.642 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1nc(C(C)C)[nH]c1Br 2087656248 XAYQTUSVNXURGT-UONOGXRCSA-N 429.403 4.806 30 10 IJEE CC1(C)OB(c2ccc(CNC(=O)c3cscc3OCc3ccccc3)cc2)OC1(C)C 2100090760 BZDOAALERFXAGU-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(CNc2ccc(C#N)c(Br)c2F)CC1 2106017321 UPGVCADISRKFBS-UHFFFAOYSA-N 430.293 4.611 30 10 IJEE C=CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1Br)C(=O)OC(C)(C)C 2124493652 GEYQCIAWQLJGKX-UHFFFAOYSA-N 437.256 4.830 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181135336 PMPZODQGYYOGBW-GUYCJALGSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(Br)cc2C#N)CCC1(C)C 2193423055 TZPVGMPPWNKLBW-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCC)c2cc(Br)nn2C(C)C)C1 2232468516 ZJVIFYPCRKZSFL-QGZVFWFLSA-N 441.414 4.738 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1C[C@@]1(C(=O)C#Cc1ccccc1Br)C2 2235726941 PVYRYBVOFGBIEQ-LYNVYRENSA-N 430.342 4.548 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](O)C#Cc2ccccc2Br)C12CCCC2 2235742546 YFBHWCOOUMZWKC-PKOBYXMFSA-N 434.374 4.731 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 2296221605 KCOUTPDNKHYKBC-XWPNQZOQSA-N 435.406 4.718 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](N)C#Cc1ccc(Br)cc1 2296290743 HDFRCWQJDHTXMN-UFYCRDLUSA-N 435.406 4.657 30 10 IJEE C[C@@H](N(Cc1ccccc1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2300337310 FFCSUSQUIZFWOX-MRXNPFEDSA-N 428.407 4.519 30 10 IJEE COc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OCC#N 2313541750 XLBLEYFVLMNPLM-UHFFFAOYSA-N 434.304 4.796 30 10 IJEE Cc1c(OC(=O)c2cccnc2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2322807816 AGRJPZFOMLJLEH-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)OCC(C)C)cc1Cl 2322880880 OOIXWFFRGAOXGA-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE COc1ccc(CCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccn2)C3=O)cc1OC 2323097860 WEJGGUCQPMXTFD-UHFFFAOYSA-N 445.471 4.562 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-])NC1CCCCC1 2323791103 MLWLNHKYOWZJQF-UHFFFAOYSA-N 442.899 4.972 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Br 2323943974 JXJPBVGZUOXGIT-UHFFFAOYSA-N 430.342 4.867 30 10 IJEE Cc1c(OCCN2CCCC2)ccc2c1OC(=Cc1cccc(Br)c1)C2=O 2325669259 FEPABBIMJFEFRC-UHFFFAOYSA-N 428.326 4.848 30 10 IJEE COCCOCC(=O)Oc1cccc(C=CC(=O)c2cc(C(C)C)c(OC)cc2C)c1 2325754093 WGRHGBKLMAFFCK-UHFFFAOYSA-N 426.509 4.592 30 10 IJEE COc1ccc(N2C[C@@H](c3nnc(SC)n3N=Cc3ccc(C(C)C)cc3)CC2=O)cc1 2325874001 KZCBJSFRIAXGFA-IBGZPJMESA-N 449.580 4.535 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1N=Cc1ccc(Br)cc1 2328261653 SADNFJCEOSXTIK-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccncc1 2328681803 NNVGQTSLWOTTCP-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(F)cc1 2329622209 SHZIBDKIENRMTB-UHFFFAOYSA-N 432.908 4.665 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccc[nH]2)c(C)c1 2330705225 GJSJSBYVSMZWRA-UHFFFAOYSA-N 430.537 4.503 30 10 IJEE CN(C)c1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)cc1 2331386731 GILKOPINABYZQU-UHFFFAOYSA-N 438.557 4.724 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cc(Cl)ccc2O)c1 2331684008 HUDNYTJHCMSODF-UHFFFAOYSA-N 443.960 4.682 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339574457 IGRBLHHYFFJKLB-KOSVWKSTSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CC=C(CNc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339588603 LGBQCGLSENVKJL-JLHYYAGUSA-N 441.381 4.705 30 10 IJEE C[C@H]1[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339591436 BAKRUIKEEKSDNR-HKUYNNGSSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@@H](N)C#Cc1cccc(Br)c1 2363395093 YPPZUHRSIWHBHP-RBUKOAKNSA-N 435.406 4.944 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C12CCC2 2364786082 KOYLFVXJWAMOIO-RTBURBONSA-N 433.390 4.568 30 10 IJEE N#C[C@H](C(=O)c1ccc(I)cc1)c1cccc(Br)c1 36765718 CDIASWOOTCUJGB-AWEZNQCLSA-N 426.051 4.544 30 10 IJEE Cc1c(C(=O)[C@@H](C)Oc2ccccc2Cl)c(O)n([C@H](C)c2ccccc2)c(=O)c1C#N 38623152 KCKAQPSWGKVRRD-HZPDHXFCSA-N 436.895 4.647 30 10 IJEE CN1C(=O)/C(=N/Nc2c3ccccc3nc3ccccc23)c2cc(Br)ccc21 39557554 CGYVNFZFILMKRA-YYADALCUSA-N 431.293 4.943 30 10 IJEE Brc1cc(/C=N/c2cccc(I)c2)oc1N1CCCC1 59303263 GXZDVCXSXJQCON-VCHYOVAHSA-N 445.098 4.998 30 10 IJEE C=CCN(C(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)C(=O)CC(C)(C)C2)c1ccccc1 65000156 LLKMYURMQSILGH-UHFFFAOYSA-N 444.506 4.965 30 10 IJEE CSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2cccc(Cl)c2)s1 102616961 WOILIWUZMYATCG-VZHUHSAUSA-N 443.937 4.540 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 108316299 RNQXISVOBYCGTR-UHFFFAOYSA-N 431.446 4.734 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)c1 169961748 HGZHTHJBLPNDCK-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(C)o2)c1 170099746 ZPBSBOLFQQPVEF-LJQANCHMSA-N 438.505 4.843 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(OCCC)cc2)C1=O 170142900 PHGYWPJPUQKBIU-UHFFFAOYSA-N 426.900 4.515 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC(C)C)cc1 170151987 AVXMNWSTBRFONC-NRFANRHFSA-N 438.480 4.760 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccccn1 170180988 FVUVYQCKRRZDAA-IBGZPJMESA-N 443.341 4.921 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(C)c(C)c2)o1 170301859 CDTHMNZKTFJSHA-HSZRJFAPSA-N 429.472 4.923 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170327082 HDUCGOMRCNHILD-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCc1ccc(OCCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1 170536937 BZSRFVPWBOOTGW-UHFFFAOYSA-N 439.519 4.961 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=NNC(=S)Nc3cccc(C)c3)cc2)cc1OC 254736389 IQVXBDYCWOSOER-UHFFFAOYSA-N 449.532 4.552 30 10 IJEE CCOc1cccc(/C=C2/SC(=Nc3ccc(Br)cc3)N(C)C2=O)c1O 254838248 KWTSHTBNADJRML-CLEIAUBXSA-N 433.327 4.787 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H](C#N)c2ccc(I)cc2)C1 309985074 XCJPLJRACCMKPZ-GOEBONIOSA-N 426.298 4.545 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460928119 AKCNODXHMDCDJM-JOCHJYFZSA-N 436.581 4.738 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 475547673 KWXWBABDGRJNAT-QGZVFWFLSA-N 429.586 4.672 30 10 IJEE C[C@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 479021097 LRNAUJUVTGVODD-WNSKOXEYSA-N 445.906 4.992 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 503063293 FVXNJJYNFYGMAR-QHCPKHFHSA-N 441.915 4.792 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(F)c2)c(OC)c1 526607208 NUBUHGTYKOFCHU-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCCCC3)C2=O)c1 526695062 RNXAZXKFEAGBEB-UHFFFAOYSA-N 446.576 4.550 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C(=O)OC)cc2)cc1 526828083 WIKFOERWQFGABB-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE CCCOc1cccc(/C=N\n2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 526828354 BMKANNCXPLVNEE-HMAPJEAMSA-N 425.514 4.712 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 549637904 DODLLXBRXKZKEZ-LEWJYISDSA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 558984504 CAONJKREYRTUKA-UHFFFAOYSA-N 442.514 4.723 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 582754046 CQDAUXYNEUAIAS-SFHVURJKSA-N 448.411 4.680 30 10 IJEE COc1cc(OC)cc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 586217827 KDBFVVLDFXEWTG-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 606840504 UDHDXVWHMZZOAE-MRXNPFEDSA-N 434.458 4.535 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(c2nnc3n2CCC3)CC1)c1ccc(C(F)(F)F)cc1 676727090 OLXCMNNDHONJBO-IBGZPJMESA-N 447.505 4.840 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 724091934 MIKQXWCREZBJJH-KUHUBIRLSA-N 435.487 4.763 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1OC 732007502 YWSRUJZSYSFIBR-QFJVNIRLSA-N 432.564 4.585 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N[C@@H]3CCN(c4ccc(F)cc4F)C3)c2)s1 740049690 FUKZILRPFQIGCK-GOSISDBHSA-N 438.503 4.643 30 10 IJEE COc1cccc(-c2ccc(CNC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2)c1 761709006 CBHHZULUGNSKHQ-VWLOTQADSA-N 427.504 4.517 30 10 IJEE Cc1ccc(O)c[n+]1/C(C(=S)Nc1ccc2c(c1)CCC2)=C(/O)c1ccc(C#N)cc1 762441591 UWPHIUJMUGYXIU-UHFFFAOYSA-O 428.537 4.672 30 10 IJEE Cc1noc(C)c1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1ccc2c(c1)CCCC2 773937132 OCGGYDOIGHIEML-UHFFFAOYSA-O 431.541 4.653 30 10 IJEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(Oc2ccc(Br)cc2)cc1 798828573 URFBSAJQVWLVGJ-KGLIPLIRSA-N 441.285 4.570 30 10 IJEE N#Cc1ccc(C2(c3nc(-c4ccc(CNc5ccc6nc(O)[nH]c6c5)cc4)no3)CC2)cc1 809415377 KVUYJSJRQZXKIH-UHFFFAOYSA-N 448.486 4.882 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1 1084284309 SKILRMHWDZNZKC-MPJFWOGISA-N 426.933 4.608 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1sc2cccc(F)c2c1COC 1124608076 USERFMMLIKBSDP-UHFFFAOYSA-N 444.480 4.930 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)SCc2ccccc2)c(C(=O)OCC)c1C 1124819605 LAMJVFNXMKYWBT-HNNXBMFYSA-N 447.578 4.836 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C(C)(C)C)cc1 1128251875 LGFVTZLZGGYAAZ-UHFFFAOYSA-N 438.543 4.887 30 10 IJEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1ccc(C#N)c(Br)c1 1128904522 MUOSICLAEWVPSX-INIZCTEOSA-N 438.366 4.835 30 10 IJEE C=CCCC1(CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CCCC1 1130909760 FMHPUPDVMVQPTJ-UHFFFAOYSA-N 430.548 4.782 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@H]2CC2(Cl)Cl)nnc1-c1ccc(Cl)cc1 1131354399 CFXFZFSEHMLPGS-ZDUSSCGKSA-N 445.803 4.577 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)CCCN1C(=O)OC(C)(C)C 1154181914 BHBRBZDUTTVTJK-KOSHJBKYSA-N 430.593 4.585 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)c1 1157045236 OOTHXWODQPNARX-UHFFFAOYSA-N 436.360 4.595 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(C(F)(F)F)n2ccccc12 1161337234 YIQHJCPPLAGAHW-UHFFFAOYSA-N 440.219 4.933 30 10 IJEE CCOC(=O)C(CC)(CC)NCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1170668459 CEXUJXBSQNZOKW-INIZCTEOSA-N 447.645 4.811 30 10 IJEE C#CCN(CCC(=O)Nc1cc(F)ccc1C)[C@H]1CCOc2ccc(Br)cc21 1191039283 ONBAYTRQMSIKBP-FQEVSTJZSA-N 445.332 4.684 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)cc1 1198691820 JDPVNQNSXUOJQC-UHFFFAOYSA-N 444.373 4.816 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(-c3nc(C)no3)cc2)cc1OC 1201902070 UFPMJYRKZVSAEQ-UHFFFAOYSA-N 444.329 4.671 30 10 IJEE CO[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1Cl 1214528610 BCGQCPFZMPETQI-IBGZPJMESA-N 426.929 4.768 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(Cl)c(I)c2)cc1 1219213788 QWGXVNSUHYAHBV-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1nc(-c2ccccc2)n[nH]1)c1ccc(C(F)(F)F)cc1 1222096324 RKPLCMULNYWHRR-GOSISDBHSA-N 429.446 4.997 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cc1 1264609404 QUQPPFXSHZHLLP-MSOLQXFVSA-N 439.364 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1cc(COC(C)(C)C)on1 1286277600 FORBXJUOWKJOKS-GCJKJVERSA-N 435.572 4.629 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccncc1Cl 1286279551 WDHXZBSQSPUVPZ-CABCVRRESA-N 430.339 4.626 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](COCC)C1 1286341029 AXRPLFYZFVPBLR-OALUTQOASA-N 430.980 4.738 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(Cn2cccn2)CC1 1286345042 UFRXAILTPVVUCJ-UHFFFAOYSA-N 443.382 4.778 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO[C@H]1C(C)C 1286441322 LQYNRELHEXFQAR-PXNSSMCTSA-N 445.405 4.618 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C)s1 1286566627 SBWRNSYJPMTVAT-UWJYYQICSA-N 443.642 4.621 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1286603615 VFCFAANNYCVBHK-MRXNPFEDSA-N 431.993 4.888 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1286605392 MREXOEUFLXSOFJ-OAQYLSRUSA-N 437.613 4.995 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)c2cccs2)CC1 1286663756 IYLUFVOIIUOSHU-DEOSSOPVSA-N 438.597 4.537 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC=C(COC)CC1)c1ccccc1 1286678853 FXFSEZQSHQTASF-QHCPKHFHSA-N 429.568 4.791 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C)(C#N)CC1 1286707878 LHLBJMPCWLUOAW-UHFFFAOYSA-N 434.371 4.975 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccsc1Br 1286729911 GTHZPBXFHPMWEM-UHFFFAOYSA-N 447.402 4.566 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(c3cnn(C)c3)CC2)cc1 1286796112 JJHLTKLWZZSTTF-UHFFFAOYSA-N 448.615 4.597 30 10 IJEE CN(C)C(=O)C[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)c2ccc(Cl)cc21 1293783471 GQZPWQSBGDIYQP-LBPRGKRZSA-N 436.726 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1cc(C(CC)CC)no1 1300292937 MIDZWWZKWRWBST-QGZVFWFLSA-N 428.540 4.891 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC12CCC(CC1)C2 1300547314 KBWNRHZSIVJTHG-UHFFFAOYSA-N 425.001 4.877 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H](OC)C(F)(F)F 1300644393 URDLFLAKONLDPR-MRXNPFEDSA-N 446.926 4.651 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1300737878 SJCZEPNDMZMFRO-AVRDEDQJSA-N 442.581 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCCOc1ccccc1C 1300880424 ILSBSPPFRINJSO-UPVQGACJSA-N 447.583 4.535 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS[C@H](C)C1 1301209385 RUNGDXPHJCNNJU-CQSZACIVSA-N 437.407 4.624 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC1(C)CCC1 1301416386 FXDHXAIMGDFKMX-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOC1CCCCCC1 1303633313 FFDUCPVRJSIXRW-FQEVSTJZSA-N 447.587 4.609 30 10 IJEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCc1csc(C(C)(C)C)n1 1304810572 ASDOUGBKDMOEPU-UHFFFAOYSA-N 432.597 4.749 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC 1309114854 MZMYFJHHMXWGCF-UHFFFAOYSA-N 429.582 4.959 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)cc1 1310196973 ZMGNLUXFYPEDDB-SANMLTNESA-N 433.552 4.705 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C 1312708572 ZRBIQHCTYLFHCL-FQEVSTJZSA-N 431.577 4.573 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(F)cc1 1312934059 IGBIBVXFHRJOAM-IRLDBZIGSA-N 443.563 4.569 30 10 IJEE CCO[C@@H](CCn1c(CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C1CCCC1 1314067303 HJCHFLURCLLKME-DEOSSOPVSA-N 433.600 4.991 30 10 IJEE CO[C@H]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1315686375 AQDMZFNFTAZXMJ-PKTZIBPZSA-N 433.600 4.847 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccccc2)C1 1321462547 NSELEBIIBNVESE-JOCHJYFZSA-N 436.357 4.886 30 10 IJEE CC1CCC(N2C[C@H](C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)CC2=O)CC1 1350946397 BYQUMPAJZKQWFD-UXVFNKRRSA-N 447.554 4.653 30 10 IJEE C=CCCO[C@H](C)C(=O)Oc1ccccc1C(=O)OCc1ccc(Br)cc1 1352583874 GRAKIDZKXCEHGJ-OAHLLOKOSA-N 433.298 4.693 30 10 IJEE C=CCN(C(=O)CCCC(=O)OC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1352764855 VMNHVRKNGWMKLH-UHFFFAOYSA-N 431.514 4.749 30 10 IJEE C#Cc1cncc(C(=O)N(Cc2ccc(Br)cc2)c2ccc(F)cc2F)c1 1355204165 JIQFJWLQDIDEHH-UHFFFAOYSA-N 427.248 4.951 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CCCN1C(=O)OC(C)(C)C 1356019840 AFNHJVOWVKZSSC-JOCHJYFZSA-N 429.517 4.681 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2(C(=O)NCCCC)CCCCC2)s1 1357951924 VSLAVDUWMFTGEW-UHFFFAOYSA-N 444.066 4.574 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCSC1 1358881376 FHAWBMMQNSWOIX-VQTJNVASSA-N 426.630 4.971 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCC[C@H]1C 1358986310 ULTAFQOUVFLKME-BHIFYINESA-N 434.584 4.716 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC1(c2ccccc2OC)CCC1 1358996529 IKDFODRGATXDDD-UHFFFAOYSA-N 430.596 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)c1ccccc1F 1359107257 HQEWAVYHZYVSJY-VWLOTQADSA-N 444.595 4.838 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN(C(C)C)C1 1359115898 QHIAKIDXIIDECD-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ncccc2Cl)CC1 1359160804 FAYVMIJWFNMOCR-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCSc2ccccc2)CC1 1359180761 RDPFJYPNLZCIOB-UHFFFAOYSA-N 425.627 4.829 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359182920 XYEUUZQHNZRZTM-IBGZPJMESA-N 433.641 4.583 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(Cl)nc2C1 1359222106 XZXREMBIUHNYCQ-YLJYHZDGSA-N 429.996 4.774 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1359234394 OBDAROBVGFBVTE-SFHVURJKSA-N 437.544 4.713 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H](C(C)C)N1CCCC1 1359257981 CCILQQRYLZOUNT-RUZDIDTESA-N 444.627 4.962 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(F)(F)Br 1359267718 PSWVMYPKEQSILK-UHFFFAOYSA-N 449.303 4.501 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCC[C@@H](C)C1 1359276593 JHBFUJUNRUSDIO-UXHICEINSA-N 437.588 4.795 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(F)(F)F)cc1 1436240313 TXBSFYQOQMVSOB-HNNXBMFYSA-N 428.160 4.799 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c(OC)c1 1436377732 BWAACKBWFYVRFQ-UHFFFAOYSA-N 440.487 4.684 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(Nc3ccccc3)cn2)nnc1-c1ccco1 1437897838 VSAARWHBFQYALH-UHFFFAOYSA-N 446.536 4.984 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1441803979 VGHSQLKXOYWMLF-QHCPKHFHSA-N 449.526 4.533 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCCC1 1443586933 JNHDRFCWACLWBD-DEOSSOPVSA-N 443.547 4.812 30 10 IJEE N#Cc1cc(F)c(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1Br 1458226464 ADNNWUZKTXKTAY-UHFFFAOYSA-N 440.237 4.905 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c(OC)c1 1459278024 HMDVIWRNGVIDIK-UHFFFAOYSA-N 429.929 4.537 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(C#N)ccc2Br)C1 1460261474 CUGKEDKVQTZXHV-GOSISDBHSA-N 442.357 4.777 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(Br)c1 1462707489 MVOVWWPZLVZTRF-UHFFFAOYSA-N 426.307 4.743 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 1463623816 DVEVUWRRKWGYIE-UHFFFAOYSA-N 439.499 4.808 30 10 IJEE C=CCc1cc(CNC(=O)CCOc2ccc(C)cc2Br)cc(OC)c1OC 1464555531 FCDWRSAZORSIBR-UHFFFAOYSA-N 448.357 4.589 30 10 IJEE O=C(NCc1cnccc1C(F)(F)F)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1466346668 HGKJHPBEVQCCAM-CYBMUJFWSA-N 429.723 4.996 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F 1470787965 VLVGEEDUAZVJHW-QRQLOZEOSA-N 432.914 4.952 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)C1 1476662625 IZWXRYZEWGYUFP-LJQANCHMSA-N 427.570 4.924 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O 1476728592 GMIGRNLAQYMKOZ-AOMKIAJQSA-N 447.373 4.765 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)CC1 1479209136 KDQNQZIHLGODQJ-WGSAOQKQSA-N 425.573 4.573 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CC1CCN(Cc2cccs2)CC1 1492557220 CMBNCZJMBMFWHN-LJQANCHMSA-N 448.640 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@@H]1CCCCO1 1507764257 KWOPAYXIMSVKAB-AOJNWGRGSA-N 436.600 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CCC(C)C)C1CC1 1507807572 VZPOWRHLXKANLC-GCJKJVERSA-N 429.634 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ncc(CC)s1 1507822945 BKPQTTMVOGGPSZ-UYAOXDASSA-N 431.650 4.861 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ncc(CC)s1 1507836619 SHSNOPPQXDMRAM-KRWDZBQOSA-N 446.621 4.582 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507885830 QBPPUQXVEOTSFM-UHFFFAOYSA-N 447.583 4.655 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1507900363 LPYWEGMOOBIXFU-LJQANCHMSA-N 439.604 4.993 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 1507920944 PDZNGRHNMARIAX-IFMALSPDSA-N 435.616 4.746 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507927567 YNMIQZFJYRPCGA-KNQAVFIVSA-N 444.023 4.502 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1507949216 ZABHMKOAGWSDNS-WOJBJXKFSA-N 434.943 4.856 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCSc2c([nH]c3ccccc23)C1 1507958013 NQLQAVWJSPKHGN-QGZVFWFLSA-N 425.602 4.978 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(C)(F)F)cc1 1508020646 OXGUIQKAPTYFSO-UHFFFAOYSA-N 448.521 4.855 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)c1ccccc1F 1508067676 NVKOMQOQQPBFQW-APWZRJJASA-N 429.540 4.873 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(c2nc(C)no2)CC1 1508159778 YGQSDQRWRYKXOK-UHFFFAOYSA-N 444.992 4.593 30 10 IJEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H](c1cccnc1)C(C)C 1509020330 CBEAXRYQRFXXGR-RPWUZVMVSA-N 444.583 4.686 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1 1519376304 SZNGOCAGCNOLNK-OAQYLSRUSA-N 429.545 4.949 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)C(F)(F)F)cc1 1521344231 QTVKEJUTPVDTTD-GOSISDBHSA-N 439.817 4.735 30 10 IJEE C[C@H](OC(=O)COc1cccc(Br)c1C#N)c1cccc(OC(F)F)c1 1521442584 AYAOLCCHGGPMNH-NSHDSACASA-N 426.213 4.605 30 10 IJEE C/C(=C/C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1cccc(C(F)(F)F)c1 1524848520 PWDOSMMJYRILJW-PTNGSMBKSA-N 433.861 4.983 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC 1524983687 VPWSNXQOZHZCRD-RDJZCZTQSA-N 432.314 4.773 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cc1 1525411279 WCDOMXLKYAMXRX-UHFFFAOYSA-N 430.327 4.714 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cccc(F)c2I)C(F)(F)F)cc1 1525856298 MEPMMHOHWXFJPD-OAHLLOKOSA-N 448.153 4.872 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2ccc(Br)cc2)n1C 1527472158 AYMZDRGVBWTUHF-UHFFFAOYSA-N 425.301 4.869 30 10 IJEE CC(C)(C(=O)Nc1ccc(Br)c(C#N)n1)c1ccc(OC(F)(F)F)cc1 1529526769 BSAGORWGXULCNF-UHFFFAOYSA-N 428.208 4.531 30 10 IJEE CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)c(C#N)c3)ccc21 1534269230 FFMDUXURBAMTBF-UHFFFAOYSA-N 425.916 4.829 30 10 IJEE CCc1nc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)sc1C(=O)OC 1534479564 AJJJNOSSADLPPD-UHFFFAOYSA-N 425.441 4.547 30 10 IJEE Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)CCC2 1535431451 BULWXROSSLLJBU-QGZVFWFLSA-N 442.332 4.574 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc3c(c2)C[C@H](C)O3)nnc1-c1ccc(Cl)cc1 1538974910 ZIZIMRJGBWUHDS-AWEZNQCLSA-N 440.956 4.839 30 10 IJEE Cc1c(C(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)sc2ccc(C#N)cc12 1539409753 APIAPURNRAFTEF-ZXYWRSMDSA-N 427.570 4.845 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1C1CCC1 1539496655 BTQULFLWFNBQRG-IBGZPJMESA-N 445.430 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCO[C@@H]1CCCC[C@H]1C 1539569730 SBPPGWYQJIZDNQ-DZRGJMJISA-N 440.563 4.584 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC2(CC)CCOCC2)CC1 1539859123 LJOORFUCCOHVAX-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1539982919 SNAOGTCPTZDBFT-QHCPKHFHSA-N 448.615 4.713 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(=C)CC1 1540042783 RGMLIBIJKQNNPO-UHFFFAOYSA-N 437.371 4.913 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1Cc1ccc(C)nc1 1540121952 YAVYSPBYLVQZMF-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1540158631 NCXXAJVVVAIITH-REWPJTCUSA-N 428.964 4.505 30 10 IJEE C=CCNC(=O)C(Cc1ccccc1Br)Cc1ccccc1Br 1540431046 NFVOOKNRAJFQII-UHFFFAOYSA-N 437.175 4.915 30 10 IJEE C=C1CC(C)(C(=O)NCCN2C(=O)S/C(=C\c3cccc(Cl)c3Cl)C2=O)C1 1542612355 WRNGJIFZQSQRHX-ZSOIEALJSA-N 425.337 4.502 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)C)C3)c1 1543310741 BVQULXZHOYELFX-IBGZPJMESA-N 439.559 4.736 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCC2)C1 1543523031 HUQYSAHRJGGCHG-BGYRXZFFSA-N 434.632 4.810 30 10 IJEE C=CC[C@]1(C(=O)OCc2noc(-c3cccc(Cl)c3)n2)CCCN1C(=O)OC(C)(C)C 1544150854 VTIHAJJQEFJYPN-JOCHJYFZSA-N 447.919 4.779 30 10 IJEE CCC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1546906048 DHWBRCINFDLULN-QFIPXVFZSA-N 449.555 4.581 30 10 IJEE CO[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N)C(C)C 1554670211 ANWOFBVENJXPIV-KBXCAEBGSA-N 440.375 4.573 30 10 IJEE C=CCn1c(SCc2nn(CC)nc2C)nc2sc(-c3ccccc3)c(C)c2c1=O 1559353463 GGBFLRDCMXBDKE-UHFFFAOYSA-N 437.594 4.832 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](COCc3ccccc3)C2)n(C2CCCCC2)c1C 1559564580 AZZPRQCOFZZNQY-QHCPKHFHSA-N 448.611 4.959 30 10 IJEE O=S(=O)(C[C@H]1CCCCC1(F)F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 1561427486 DSTFCQMOWXDGFJ-MFKMUULPSA-N 437.377 4.636 30 10 IJEE Cc1cc(Cl)c(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1Br 1562925681 HVSWCRTZPXVUIF-UHFFFAOYSA-N 433.737 4.895 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCCN(c3ccccc3Cl)CC2)cc1OC 1568773751 FZSINLBGNUNHPK-BENRWUELSA-N 426.944 4.666 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccc(S(=O)(=O)CC)cc2)C1 1585881615 DVEJNHAYMHDMOG-GOSISDBHSA-N 427.591 4.507 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCC(C)C 1587755038 RLGRTLJAEAUYTJ-UHFFFAOYSA-N 434.588 4.522 30 10 IJEE CC(C)(CF)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1587988146 GDUILYMYNXGHQU-UHFFFAOYSA-N 437.359 4.877 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC[C@H]1C 1589614756 FRAUASOWSRQDSJ-AEFFLSMTSA-N 433.394 4.783 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1594225571 CIPFMBUKWNOHHZ-DEOSSOPVSA-N 430.600 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(c2cnn(C)c2)CC1 1594504216 KNNVIMBDVDGBLS-UHFFFAOYSA-N 448.615 4.597 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCCC)CC1)c1ccccc1 1594543921 FMKUAAQUYSHWHQ-GOTSBHOMSA-N 446.599 4.881 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C1CCC(NC(C)=O)CC1 1594591201 NRXIPQVWTKZMEE-UHFFFAOYSA-N 446.599 4.733 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@](C)(C#N)C1 1594830622 ZMERSKCHFVGFAE-HSZRJFAPSA-N 425.602 4.602 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C2CC2)cs1 1594906984 NHQXNDPCCQDOHJ-UHFFFAOYSA-N 430.375 4.712 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@H](F)C1 1595075904 NVFLLTVSKYAJEC-ONTIZHBOSA-N 428.552 4.859 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1Cc1ncc(CC)s1 1595085236 SFZGLOCSKAZBEG-UHFFFAOYSA-N 444.564 4.978 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[C@H]1CC 1595276322 ZDAAIGIZCYHQFW-HZPDHXFCSA-N 436.398 4.501 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)c1ccc(F)cc1 1595283464 QJKJSPQMIDXJSN-MRXNPFEDSA-N 429.927 4.575 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN(C)C2CCCCC2)C1 1595681014 ODTKHIGGFKGNCM-QFIPXVFZSA-N 444.023 4.644 30 10 IJEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)CC1 1596377377 AHNIDMOOEYNEAN-UHFFFAOYSA-N 448.615 4.671 30 10 IJEE C#CCN(CC(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C)C(=O)OC(C)(C)C 1617251675 BMNUMEAJNZUSSY-QGZVFWFLSA-N 441.399 4.795 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 1617657570 LXDZECAHCUAEMW-UHFFFAOYSA-N 427.529 4.797 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Br)c1ccc(Cl)cc1F 1622121771 UKGCMUJKHXBDQB-CYBMUJFWSA-N 437.117 4.548 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 1622919108 YULQETOAGQTWDT-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE O=C(N[C@@H](CCO)c1ccccc1F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 1623899909 GUYUZKHVTOHXPY-JKSUJKDBSA-N 438.343 4.871 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCSCc1ccc(Cl)cc1Cl 1624070762 ACHVBBYCWRNOQC-QGZVFWFLSA-N 445.412 4.650 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)c1 1626797183 GZJUIPXAGHXNLS-RXVVDRJESA-N 429.969 4.593 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N[C@](C)(CC(C)C)c1cccc(Br)c1 1635825668 GBAZSGMCGUKORY-JOCHJYFZSA-N 445.357 4.786 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1636571167 QSSSLJIPBMDHSO-ROUUACIJSA-N 429.706 4.883 30 10 IJEE C=C1CCC(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)CC1 1638009761 PLBUURUFFLIQNH-UHFFFAOYSA-N 440.584 4.924 30 10 IJEE Cc1c(C#N)c(NC(=O)CSCC(=O)c2ccccc2)n(Cc2ccc(F)cc2)c1C 1644047988 BTNOSNSOVXVALQ-UHFFFAOYSA-N 435.524 4.719 30 10 IJEE C=CCNc1ncc(C(=O)NCCCCCC2CCN(C(=O)OC(C)(C)C)CC2)s1 1644387315 LXXJEWJIFXGGEY-UHFFFAOYSA-N 436.622 4.678 30 10 IJEE C#CC1CCN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CC1 1646385210 JZDIYZYHFBEXKY-JOCHJYFZSA-N 446.532 4.743 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 1659179958 GDSSVGFMICOTQA-CXAGYDPISA-N 446.935 4.658 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1659195779 BWMDJURACCEUDJ-UHFFFAOYSA-N 440.852 4.705 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c1 1666343188 VQHQQHOOGXVBPJ-KRWDZBQOSA-N 444.373 4.925 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)c1ccc(Br)cc1 1667064929 XVDBJZHGWGKLJT-OAQYLSRUSA-N 442.357 4.702 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(OCC)c(C(C)C)c1)c1ccc(Br)cc1 1669427471 NQPKDNFGRCWBHF-LJQANCHMSA-N 436.371 4.624 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1 1670499649 URLIAYNBYRHNKL-FQEVSTJZSA-N 428.916 4.622 30 10 IJEE CSc1ccc([C@H](CNC(=O)Nc2cccc(C#N)n2)N2CCc3sccc3C2)cc1 1673086432 BOULXUXDCBJZGP-FQEVSTJZSA-N 449.605 4.658 30 10 IJEE C#C[C@H](NC(=O)NCCCc1ccc(Br)cc1OC)c1ccc(Cl)cc1 1680717747 XOMQFAHUOZPBLY-SFHVURJKSA-N 435.749 4.717 30 10 IJEE C#C[C@H](NC(=O)NCc1nc(-c2ccccc2F)cs1)c1ccc(Br)cc1 1686327540 NIDSHHRVZHQCKB-KRWDZBQOSA-N 444.329 4.885 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc(Br)cc1 1686645447 JQGCVSXZEOQPAD-NHCUHLMSSA-N 439.353 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccco1)N(CC)CC 1689844917 LEQWBABKJAZECN-CVDCTZTESA-N 444.583 4.571 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(C)C)C1 1689930655 WMNOPOZVHHQPTI-OAQYLSRUSA-N 443.636 4.678 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)N1CCC[C@H](C)C1 1689950859 DSWRBFQDTAFVEH-OALUTQOASA-N 439.673 4.711 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cc(C)cc(C)c1 1689952337 BIDRRSIPHVFKAZ-UHFFFAOYSA-N 429.387 4.698 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1(c2ccccc2)CC1 1690163545 IURVQHFJWAQLGF-UHFFFAOYSA-N 438.000 4.528 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC=C(C(F)(F)F)CC1 1690237792 ASPRBEBLVIYJEW-FXAWDEMLSA-N 448.489 4.634 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2CCOC2)CC1 1690398906 JHXADZKRUBPCTL-HKUYNNGSSA-N 430.980 4.901 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1690402729 NSQHHCNXBIKQCQ-QFBILLFUSA-N 432.515 4.622 30 10 IJEE C=CCCCCn1c(N2CCN(Cc3ccc(OCC)cc3)CC2)nnc1C(C)(C)C 1690469126 FGLSBYKRDNCFPZ-UHFFFAOYSA-N 425.621 4.653 30 10 IJEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1690478799 JPSHVVSBPSJNJG-UHFFFAOYSA-N 442.489 4.652 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC(C)(C)c1ccccn1 1690559436 FXVSNNZZXQXASU-UHFFFAOYSA-N 426.568 4.983 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cscc1C 1690602538 RFCKXMNDOUNPGM-IZAXUBKRSA-N 443.617 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1csc(CC)n1 1705502929 KXMFNMNSKYXYOA-SFHVURJKSA-N 437.613 4.814 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C#N)o1 1705604971 XQDSOTWYTKFRIR-QGZVFWFLSA-N 437.931 4.661 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1705607245 WQVMITXYWUVNPD-IAGOWNOFSA-N 436.478 4.715 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1705731059 RIJFYTQWFBMVFV-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCCCO1 1705799736 FIACYOSKXYUAQH-NRFANRHFSA-N 425.577 4.509 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705813369 FEBGRBBNHHSPIK-KRWDZBQOSA-N 448.970 4.726 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC(F)(F)F)cc1)C1CC1 1705854948 ROURCNAJZRCBLZ-LJQANCHMSA-N 436.478 4.816 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC1(COC)CCC1 1705862296 FONWYYVNOJHNTF-UHFFFAOYSA-N 435.547 4.797 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](OC)C(C)(C)C)C1 1705921522 UGKXFSRDVMDOGY-LPHOPBHVSA-N 436.959 4.580 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](CC)N1CCCC1 1722406423 YGRUJMMSZBHIFD-HXUWFJFHSA-N 425.646 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1CC1(CCC)CC1 1722467580 AFHFQSIHVRVKGV-HXUWFJFHSA-N 430.394 4.619 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)C1 1722492505 SYFRHZUIFCNARM-DYXWJJEUSA-N 446.542 4.862 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCCCC1 1722494258 BSUQPTNHYKNXER-NZQKXSOJSA-N 440.588 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nnc(CC)s1 1722499934 ANVQZVGOUGGSOI-OAHLLOKOSA-N 442.658 4.996 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1722534850 XTXOAAVYMUFNBZ-INIZCTEOSA-N 444.551 4.925 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1722568099 ANVUSJCAHUHJRO-QFIPXVFZSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2C)C1 1722581039 AFJWVQQZRIKGMM-HXUWFJFHSA-N 444.583 4.830 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCCC[C@@H]2C1 1722590084 WLEWGYCEAGYQRN-JOCHJYFZSA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722590834 BAASBNDZMNCVTG-UWJYYQICSA-N 434.415 4.886 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722634315 CNPBPAJIHABIOE-HZPDHXFCSA-N 445.633 4.667 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1N(C)CCCC1(C)C 1722666397 GFQKOQWIUREULO-SIKLNZKXSA-N 441.595 4.856 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C#N)CC1 1727959137 DTUYZJFPOLKTSF-UHFFFAOYSA-N 447.530 4.618 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCCN(C(C)C)C(C)C 1740545363 MFYXHYDJVDWDAH-SFHVURJKSA-N 446.437 4.674 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 1740597783 YRXNTKXAGVZGDH-PMACEKPBSA-N 427.593 4.556 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1740673011 DGFXLNPZRNCACQ-KNQAVFIVSA-N 439.654 4.535 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1740673012 DGFXLNPZRNCACQ-SIKLNZKXSA-N 439.654 4.535 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1740721554 MHUKAENZDAUPSU-GMAHTHKFSA-N 438.641 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCCCOC 1740726974 VIOSEGCQUVKOHO-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(N(C)C)CCSC1 1740770293 MZDKEVNWFLSLPA-OAQYLSRUSA-N 438.016 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC=CCC1 1740848342 IHPUVAJBULZCLW-UHFFFAOYSA-N 429.609 4.761 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)C1 1740852129 JDGNGKJEGHHNEM-MSOLQXFVSA-N 449.665 4.894 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCC2(CCN(C)C2=O)CC1)c1ccccc1 1740854318 MZUBXTJPNVLVAT-UNMCSNQZSA-N 435.616 4.600 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(COC)cc1 1740921712 GCIIVVWSGJSVIG-UHFFFAOYSA-N 431.565 4.789 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC1(COC)CCCC1 1748647971 VWUJARAHZZVPNX-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1748753796 VIRHRSFXUUWEDK-LEWJYISDSA-N 426.992 4.720 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1748868418 WHNFAKHJTMQRMJ-LOLUNWTRSA-N 445.655 4.793 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCN1C[C@H](C)C[C@@H](C)C1 1748913003 NTOWWFPEGUPJCU-NHCUHLMSSA-N 444.627 4.629 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CCCC 1748930340 HVDQPIYDUVFNHN-QFIPXVFZSA-N 428.024 4.636 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)OC(C)(C)C1 1749089990 HMYXQGGKLGWFKU-AWEZNQCLSA-N 431.334 4.604 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1749127991 QKRKPOFKEHEVCU-SIKLNZKXSA-N 428.552 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)CC)n1C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1749143908 OIDZGLPFSFTXQN-RBUKOAKNSA-N 431.625 4.984 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1749213520 MCHSAUOOJGFUBK-DHIUTWEWSA-N 438.616 4.544 30 10 IJEE C=C(C)COCCn1c(N(C)Cc2c(C)noc2C)nnc1C1(c2ccccc2)CCC1 1749239650 NMNHSVBVXTXUDX-UHFFFAOYSA-N 435.572 4.582 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCCc2cccc(C)n2)CC1 1749311446 NIMZBLWNBLHMBV-UHFFFAOYSA-N 447.583 4.748 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](C)N(C)C)CC1 1749330641 KHBSRTWDPAKOPE-FQEVSTJZSA-N 432.616 4.705 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCO1)C1CC1 1749512363 ZTKUAMLZUPWYLZ-INIZCTEOSA-N 435.341 4.571 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC1(C)CCOCC1 1749561768 VUMQNTHOJOMOHV-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCc2cc(OC)ccc21 1749572666 ACGQIHFZEIHCNC-OAQYLSRUSA-N 429.568 4.956 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 1749614106 RVAIEGCNAACVKR-GFCCVEGCSA-N 425.758 4.551 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1760247127 PETBDAMZYAGCLC-GJZUVCINSA-N 438.616 4.676 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)c1cccs1 1760279263 WVSHIIBEACLCBZ-SFHVURJKSA-N 448.621 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCc1csc(C(C)C)n1 1760296154 NKMYPKUHAPKGBD-RUZDIDTESA-N 433.625 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1Cc1c(CC)nn(C)c1CC 1760332383 ZVOUINIZAMOYKX-UHFFFAOYSA-N 426.996 4.908 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1760370023 FHLMTRLXDCTLIJ-UHFFFAOYSA-N 431.968 4.533 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](OC)C(C)(C)C1 1760378225 CJFJPNCEAOLPMT-FQEVSTJZSA-N 432.996 4.903 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(CC(C)C)c2C)CC1 1760397800 CKVQOHKIYVZIPS-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCCCCC1 1760412199 XQPQPXFGGOHCDM-UHFFFAOYSA-N 434.588 4.565 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1760448264 ZXHIKYWBDLIGEX-PMACEKPBSA-N 440.588 4.572 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccc(C)o1 1760451548 LZELGCGOKJUNTF-NRFANRHFSA-N 442.510 4.983 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCO[C@@H]1CCCC[C@H]1C 1760468256 NJAUUZJITXAVDW-HSALFYBXSA-N 447.624 4.568 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccncc1 1760497423 FSMJRSOVFOZWIM-UHFFFAOYSA-N 444.970 4.866 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@H](C)C1 1760499085 NRZKIHBXUMLINN-GMKZXUHWSA-N 438.616 4.612 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1occc1C 1760502454 ZQHBMPHBYNIZFJ-UHFFFAOYSA-N 445.361 4.605 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C(C)C 1766510074 DFPBXMCOYDBQRC-REWPJTCUSA-N 439.604 4.805 30 10 IJEE CCSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)ccn1 1768345013 BTCQRXKNTSXXNO-UHFFFAOYSA-N 443.580 4.502 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1CCCCO1 1772522902 LKHOZOGIZLVMQE-FDDCHVKYSA-N 428.964 4.558 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1OCC(=O)OC1CCC(C(C)(C)C)CC1 1858819305 UCYDKGLINPRBGG-UHFFFAOYSA-N 429.561 4.814 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1OC 1860728890 WGTKKLPHXJZWQB-RMKNXTFCSA-N 432.314 4.776 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCc1ccccc1 1861813496 FPPYUWRDQCFWOE-XMMPIXPASA-N 426.576 4.963 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 1862231824 BTAYCWXWNXTRLW-HSZRJFAPSA-N 426.944 4.557 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)c1 1862418809 LRGBRLJZXUYKTH-OAQYLSRUSA-N 429.463 4.988 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862431791 OTNABZOVSLDDGU-JRQSSSKMSA-N 441.911 4.908 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862533669 MVVZVLFRMIAQSU-HSZRJFAPSA-N 441.483 4.726 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccccc1Cl)c1cccc(O)c1 1862594126 ACLDHNZMVCLAQV-JOCHJYFZSA-N 449.890 4.703 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 1862622197 GLUPCSJDJPQCHB-LJQANCHMSA-N 448.346 4.862 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)CCCN2C 1862622270 CLXKTCNSOHZMRI-HSZRJFAPSA-N 432.564 4.965 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2cccc(O)c2)cc1 1862688243 VIRWCVRPXPXSOL-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE Cc1cc(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccccc3C#N)C2=O)ccc1F 1863100625 XWOFNRIMJGHVNE-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE Cn1c(C(=O)Nc2c(Br)cc(C#N)cc2Br)cc2ccccc21 1866037698 LUCAPMMKIYNYKP-UHFFFAOYSA-N 433.103 4.827 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3OC)CC2)nc(-c2ccccc2)n1 1867971355 AQMQXFYOQGOYDX-UHFFFAOYSA-N 441.579 4.657 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)nc(-c2cccnc2)n1 1869372088 PFMZYDKXDDSBJE-JOCHJYFZSA-N 447.970 4.948 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(Cl)cc2)cn1CC=C 1870778965 PHLSOBZZQAAGKW-UHFFFAOYSA-N 428.960 4.710 30 10 IJEE C#CCOc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871005622 PMMCHRKWRWOJBR-UHFFFAOYSA-N 436.515 4.659 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CNc1cccc(C)c1 1871163500 LSRKHNBPEOFYLE-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 1871374471 LZZLFXHJLZOEDN-UUYOSTAYSA-N 445.427 4.676 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871405118 CJTQZNVIWIGHFT-VJLQILQTSA-N 443.455 4.746 30 10 IJEE COc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871458369 BPPUZGVTWNYZJH-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666484 FSUAXMCDSWXGON-PMACEKPBSA-N 440.636 4.722 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872133757 XZVHMVUJHJSFCM-QFIPXVFZSA-N 446.638 4.631 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)CCCC 1872142998 OVLGGOIYCSUWBV-IBGZPJMESA-N 429.586 4.765 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)ccc1C)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872571753 LXNQEBWMBCHEMQ-CVDCTZTESA-N 428.598 4.924 30 10 IJEE CC(C)N1C[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872759770 ZFUCIUHZCZYDPT-NHCUHLMSSA-N 429.545 4.910 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(OC)c1OC 1872776900 ADMBXPHGNIWRET-OAHLLOKOSA-N 433.489 4.807 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(=O)OC)cc1 1874331540 RJXWIQKYRAUJPS-PCLIKHOPSA-N 434.565 4.627 30 10 IJEE CCCOc1c(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SC)cccc1OC 1874339115 JAPGRIUAPMAHJF-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE Oc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2F)c1 1874346512 SHJXUGHQQCPVPG-WGOQTCKBSA-N 448.523 4.919 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 1874449998 QPBQVIYSGYTQGF-KCDOPAPYSA-N 442.928 4.656 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1cc(C)ccc1C 1874472538 KNVMCLCFTODMMW-PCLIKHOPSA-N 436.581 4.823 30 10 IJEE CCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2Cl)c1 1874472774 WSWRMPQUGKGOBL-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1cccc(Cl)c1 1874488073 XEDISDBVIYUSQY-WYMPLXKRSA-N 445.951 4.882 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1874611987 VPVRFTOQPLNISW-WEVVVXLNSA-N 446.450 4.797 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(N(C)C)cc1 1875094651 CHWXYLMTHMZHIH-NTUHNPAUSA-N 446.459 4.785 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccc(F)cc3)ncnc2n1CC(C)C 1875209022 GXRXIBFHAOSOCT-UHFFFAOYSA-N 435.547 4.695 30 10 IJEE CN(CC1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)CC1)c1ncccc1C#N 1891376405 UUGSOXQPMSMFPM-UHFFFAOYSA-N 444.510 4.873 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)cc(C#N)c1 1901534228 HIALBCJVOMGCFW-XMMPIXPASA-N 443.478 4.953 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)CCCCC1 1902024335 UOQBCUHMPRTEQD-CQSZACIVSA-N 435.487 4.906 30 10 IJEE C#Cc1cccc([C@@]2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 1951716358 ZCSSBDAARNTZLD-MUUNZHRXSA-N 437.495 4.645 30 10 IJEE C=C(Br)CN(C)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 1985079456 PHZRZBSAVVCKLN-UHFFFAOYSA-N 448.155 4.777 30 10 IJEE N#Cc1cnc2c(-c3c(F)cccc3I)c(C(F)F)nn2c1Cl 2081222322 PARPMNUEBXVEND-UHFFFAOYSA-N 448.573 4.603 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 2094844835 HQVGVBWOWOHJNM-UHFFFAOYSA-N 438.377 4.969 30 10 IJEE Cc1cc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2116068936 KMWFPCHBCCOEOW-JTHBVZDNSA-N 436.405 4.509 30 10 IJEE C=C([C@@H](NCCC)[C@@H](O)c1scc(Br)c1Br)C(F)(F)F 2150568178 RHQTUXSYSQXPSD-NXEZZACHSA-N 437.119 4.793 30 10 IJEE COC[C@]1(CNc2ccc(C#N)c(Br)c2)CCCCN1C(=O)OC(C)(C)C 2162418803 WTFJDYXTVSFMPT-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc(Br)c(C#N)c1)C1CCCC1 2180896064 HQXLDUZWYGCKLM-KRWDZBQOSA-N 436.350 4.733 30 10 IJEE Cc1cc(CN(C)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)sc1Br 2202314602 ZZUFUDLJUVHFKV-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE C=CCC[C@](C)(O)C(=O)c1sc(Br)c(Br)c1Br 2216403279 VLJGOONQKYWSFM-NSHDSACASA-N 446.986 4.936 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(F)(F)C[C@H]2CC#N)cc1Br 2233994947 OQFLJPOOLGVGEK-GFCCVEGCSA-N 444.276 4.560 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C(C)(F)F 2235724866 WDPGFKNWLDEOFL-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE C#CC[C@H](C[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237391794 LTPCBVBSYWQVIW-RLLQIKCJSA-N 436.390 4.685 30 10 IJEE CCN[C@H](C#CC1CCCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251421014 ZGKVTKYDGFAQMS-RPWUZVMVSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)NCCCc1cccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1 2267567108 ADAKNWHDIXOGAR-RBUKOAKNSA-N 444.381 4.565 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267580789 JYJKEJNZTRZCMC-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)CN(C(=O)OC(C)(C)C)C1CCC1 2288235149 XYOHOIBJAXABNB-SFHVURJKSA-N 435.406 4.958 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1(CNC(=O)OC(C)(C)C)CCC1 2296219283 MOAFBUDOICFSBE-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@H](O)C#Cc1cccc(Br)c1)C2 2296233324 WPEUXHBUIYGSEU-IAPKMXHRSA-N 434.374 4.635 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2296302872 OXTBUALYNRGPNA-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2305320328 UAKNMBOACXBREB-LRIWYSQZSA-N 428.573 4.601 30 10 IJEE C[C@@H](NC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1)c1ccccc1 2324080599 KWEZGAXDWFGTJT-GOSISDBHSA-N 429.472 4.568 30 10 IJEE CCCC[C@H](Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)C(=O)O 2324777901 CGCMSEOXDHEGAU-SFHVURJKSA-N 444.867 4.845 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(Br)c1 2325589539 CBBLSSFOIBWIJB-UHFFFAOYSA-N 446.330 4.686 30 10 IJEE COc1cc([N+](=O)[O-])c(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1O 2326637369 YKJKNTCYGKQZNM-UHFFFAOYSA-N 449.492 4.537 30 10 IJEE Cc1cccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2N=Cc2cccs2)c1 2328998228 HSYBHDWRTWYSIJ-GOSISDBHSA-N 439.610 4.547 30 10 IJEE CCCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(OC)c(O)c(OC)c1 2329599724 NMVZBGBPJUBOJY-UHFFFAOYSA-N 432.933 4.706 30 10 IJEE CCCOc1cccc(C=Nn2c(SCCCO)nnc2-c2ccccc2Cl)c1 2329609009 IWONGTBUFFRXOT-UHFFFAOYSA-N 430.961 4.744 30 10 IJEE Cc1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)(C)C)cc1 2331402955 LIYIPZVZZWYMGZ-UHFFFAOYSA-N 432.553 4.707 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1sccc1C 2331443293 IMYMSLLBKSJFHP-UHFFFAOYSA-N 427.599 4.768 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c(Cl)c2)c(OC)c1OC 2331885743 FBVIFBARCCSVSY-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339596763 LNWBSBQNFFYDDM-HYSAVQALSA-N 444.381 4.656 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2342474215 ZOVKRRJCNPYSLA-SFHVURJKSA-N 444.381 4.661 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C(=O)C#Cc3ccc(Br)cc3)C[C@@H]21 2360195181 ZDEQGHCJFLPYCM-BZDHPDOMSA-N 430.342 4.548 30 10 IJEE CC[C@H](N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836019 JMUDSRSCQQLIKJ-QQSVUBKYSA-N 448.460 4.937 30 10 IJEE CCOc1cc(/C=N/Nc2nc(C)cc(COC)c2C#N)ccc1OCc1ccccc1F 13286035 YTFFQDNRBQCTBB-CCVNUDIWSA-N 448.498 4.971 30 10 IJEE O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccccc1Cl 13302009 WPMABGYBVMRQRS-CLCOLTQESA-N 426.701 4.947 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)cc1)N2 13635432 YVVXDWCTFHCCED-HWBMXIPRSA-N 436.577 4.884 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(C#N)c1C 13954295 VTFKLKMYRCWKJF-UHFFFAOYSA-N 429.885 4.974 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1OC)N2 14546113 SSHBKEXWFGRVLJ-RLSLOFABSA-N 436.577 4.884 30 10 IJEE C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1SCc1ccc(F)cc1 20425286 FZQDOWVNBHKINZ-UHFFFAOYSA-N 428.558 4.935 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(O)c3)oc12 33522377 XLHRQGFUTPGXKU-NRFANRHFSA-N 445.427 4.519 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2cccc(OC)c2O)C1=O 35074399 GWLAQKOVDJNGSV-LFIBNONCSA-N 431.897 4.598 30 10 IJEE Cc1ccc(N/C(=N\C(=O)c2ccc3c(c2)OCO3)NCCc2c[nH]c3ccccc23)cc1 66437755 MVZOWZARAXVNBN-UHFFFAOYSA-N 440.503 4.646 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C/c2cc(C)n(C3CC3)c2C)C1=O 103846597 QSGMAAFAVLXJHA-DEDYPNTBSA-N 438.549 4.992 30 10 IJEE CCn1nc(C(=O)N2CCCS/C2=N/c2ccc(C)c(Cl)c2)c2ccccc2c1=O 104995473 UIUHELYLKWBMTF-ZNTNEXAZSA-N 440.956 4.645 30 10 IJEE COc1ccc(OC)c(/C=C2/Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 110528967 KKQUSEMKASCJNE-FSJBWODESA-N 433.416 4.807 30 10 IJEE COc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2F)cc(OC)c1OCc1ccccc1 111219044 KZTZPLYIUVEKTK-HXUWFJFHSA-N 438.430 4.556 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1Cc1cccnc1 136002701 SYCKGLQXXXVKJN-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE CCOc1cc([C@H]2NC(=S)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 169936617 HJGYJTIPCNGQIU-HSZRJFAPSA-N 440.540 4.672 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCCC2)cc1 169957141 MZJUGENYGGJVGC-RUZDIDTESA-N 432.564 4.983 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccncc2)cc1 170019949 UJVNTOBSQPWASH-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(C)o2)cc1 170103183 CAFZDURLCWVTCJ-OAQYLSRUSA-N 427.460 4.810 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1cccc(C)c1 170142636 RQNVGEVTFUCDPY-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)cc1Cl 170162797 YVWHVSYWEYSXHW-LJQANCHMSA-N 440.908 4.584 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccc2)c1 170221589 COKVWUMYXLARGB-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccccc1 170233463 KHEPUTWDXDMXOL-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2F)c1 170251551 PWPKQAVGHWLXBD-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1C 170270054 BUQZQLJVVVDDCZ-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170423112 LWNCFIFLSWUKRW-DEOSSOPVSA-N 438.483 4.955 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226799160 OKCYGRVVMDSKKJ-LVCYWYKZSA-N 445.382 4.740 30 10 IJEE N#C[C@H](C(=O)c1cc(I)ccc1Br)c1cccs1 232468630 VLMGZICNAZGHCP-JTQLQIEISA-N 432.080 4.605 30 10 IJEE O=C(C[C@H]1SC(=NN=Cc2cccs2)N=C1O)Nc1ccccc1C(F)(F)F 252609560 HUTCQBPPKKUJJC-CYBMUJFWSA-N 426.445 4.558 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460565829 IPZNSSMWCOTHSZ-HHHXNRCGSA-N 441.579 4.543 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1 480837535 KGCYVSUHFBAVOX-AREMUKBSSA-N 431.536 4.554 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@]2(CCCOC2)C1 508851341 ZBQKULCGOFOBIK-DEOSSOPVSA-N 435.597 4.960 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2ccsc2)C1 508992478 AGBZJSXJKSIQPA-KXBFYZLASA-N 430.961 4.897 30 10 IJEE N#Cc1ccc(-c2ccccc2)nc1SCc1nc(O)c2cnn(-c3ccccc3)c2n1 510179459 HBALPHTWCVMROJ-UHFFFAOYSA-N 436.500 4.747 30 10 IJEE COC(=O)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1 526488173 GBNKZHSKUHWKQA-QFIPXVFZSA-N 428.419 4.541 30 10 IJEE N#Cc1cccc(NC2=C(SCc3ccco3)C(=O)N(c3ccccc3Cl)C2=O)c1 526669281 PTCJGVXYVZPAFA-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE C=CCn1c(SCC(=O)N(CC(F)F)CC2CCC2)nnc1-c1ccc(Cl)cc1 536408337 WZCYXDFWGFKKCF-UHFFFAOYSA-N 440.947 4.770 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 549603275 GWFKAPPPYAQJBQ-QFIPXVFZSA-N 434.588 4.613 30 10 IJEE C=C(C)CN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc(Cl)cc1 586158397 FBOABOIKXXJSGN-UHFFFAOYSA-N 437.989 4.947 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(C)c1 586258088 FFQHLHOZEQPSHX-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE CCCCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1[C@@H](CC)N(C)C 596224248 DKVXELRSPHWWTK-SGIJDJSVSA-N 448.681 4.502 30 10 IJEE Cc1nc(CCC(=O)NCc2ccc(C#N)cc2F)oc1-c1ccc(Br)cc1 609299455 XATJBQDEFBXKFK-UHFFFAOYSA-N 442.288 4.672 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC(c2nc(-c3ccccc3)no2)CC1 669803428 PVNRQPAFEDVXPE-UHFFFAOYSA-N 432.553 4.550 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2)c1 698442932 NYLXERVPIUJZSL-QHCPKHFHSA-N 431.533 4.730 30 10 IJEE CC(C)CN(CCC#N)C(=O)c1cc(Cl)cc(Cl)c1I 701330165 RWCBBHFLYWLEKF-UHFFFAOYSA-N 425.097 4.610 30 10 IJEE CCOC[C@](C#N)(CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1CCCCCC1 708725763 JPVWLGRDSJSHJH-QHCPKHFHSA-N 439.597 4.770 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(C)ccc(Br)c1F 721197447 YDKGTKMWGORXGU-CRAIPNDOSA-N 427.358 4.854 30 10 IJEE N#CCOc1ccc(Cl)cc1CN(Cc1ccc(C#N)cc1)c1ccc2nc(O)[nH]c2c1 744406575 LGGDBWMNXBKFTP-UHFFFAOYSA-N 443.894 4.903 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760965365 JGDKMTPCFFWGHU-JTHBVZDNSA-N 445.563 4.519 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 802551410 UJVRITSOVHPFLC-BEFAXECRSA-N 427.911 4.675 30 10 IJEE C=CCC(CC=C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 1124265821 HWSYPEHWZUUZTC-UHFFFAOYSA-N 445.629 4.558 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2 1126242023 NWHKVXPTAYZSTN-OAQYLSRUSA-N 448.563 4.573 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3cc(OCCC)ccc3C2)CCCN1C(=O)OC(C)(C)C 1127394217 NCMXANVQCKUQPM-RUZDIDTESA-N 428.573 4.706 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1OC 1128413072 CPDHHUDYSAJECC-AZYPZBHUSA-N 428.326 4.708 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)cc1 1129126765 IOODMXUGKAHHBB-UHFFFAOYSA-N 438.531 4.930 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)C[C@]1(C)c1ccccc1)c1ccc(F)cc1 1129603225 PSCISZNWVATAEQ-FULLSBAXSA-N 426.535 4.706 30 10 IJEE C#C[C@@H](NC(=O)c1cccc2nc(O)n(CC(C)(C)C)c12)c1ccc(Br)cc1 1129611275 WYEMSPKZYKYCOV-QGZVFWFLSA-N 440.341 4.655 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)C(C)(C)C 1133977369 RWAUGUAYZJIZSG-UHFFFAOYSA-N 442.972 4.592 30 10 IJEE CC(C)c1ccc(CN2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)cc1 1141599905 GSSUNTQMKGWRCS-UHFFFAOYSA-N 441.579 4.545 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2c(F)cccc2Cl)C1 1148013562 FDXYAGSIAFJSPP-KRWDZBQOSA-N 431.335 4.516 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(C(C)(C)c3ccccc3)cs2)c1 1151568016 OCEJBAFQKBUWOQ-UHFFFAOYSA-N 438.574 4.518 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(C)(C)C 1152113767 HZQVFTWNXPQCKB-QGZVFWFLSA-N 445.951 4.665 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2(C)C)c1 1154016934 KZQOZMAXQFQZPN-NRFANRHFSA-N 429.969 4.545 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1 1169013217 CZJPJTYCPKPLLT-AUSIDOKSSA-N 425.960 4.666 30 10 IJEE C=CCN(C(=O)CN[C@H]1CCOC1(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1170377585 PLJGBJMTZJHUGR-KRWDZBQOSA-N 440.396 4.793 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 1179837069 QFVPJWWKGPBOSM-SFHVURJKSA-N 448.972 4.720 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 1192687238 GYYMUTVRIRVSJW-NRFANRHFSA-N 428.966 4.918 30 10 IJEE C[C@H](CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)OC(C)(C)C 1201225757 BCBIXEDIJCSAFP-OAHLLOKOSA-N 427.476 4.931 30 10 IJEE C#CCN(C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1)[C@@H]1CCCc2ccccc21 1203317345 NIKYXRLOAUMIJZ-HSZRJFAPSA-N 428.540 4.639 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O 1204044831 LYSVBGVXDYTXBL-LJQANCHMSA-N 428.330 4.643 30 10 IJEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1)C1CC1 1214190847 OLKKNQVGOIHCMA-UHFFFAOYSA-N 443.569 4.692 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 1214207971 PFRXFJUCQUKMCW-UHFFFAOYSA-N 435.634 4.934 30 10 IJEE Cc1cccc(C2(CNC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)CCCC2)c1 1225900663 DXFXRLHHQVCKAG-UHFFFAOYSA-N 430.596 4.596 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1)C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1226926862 NGXRRINBTWJTDF-QFIPXVFZSA-N 443.563 4.711 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)c1ccccc1 1230489169 LNWVRTTZWDISBW-JYFHCDHNSA-N 426.516 4.735 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 1233616028 ZXFKKPCSROTXCY-FQEVSTJZSA-N 431.577 4.601 30 10 IJEE C#C[C@@H](NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1252478705 FDHFGJOUVGFWGU-AUSIDOKSSA-N 427.951 4.707 30 10 IJEE C#CC(C)(C)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1265136700 QMSPYPXJIKGURA-UHFFFAOYSA-N 429.364 4.540 30 10 IJEE C=CCOc1ccc(CN(C(=O)CSc2ccc3c(c2)OCCO3)C(C)(C)C)cc1 1269606252 WAHXWDOYTWDPFY-UHFFFAOYSA-N 427.566 4.942 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccnc1Sc1ccc(Br)cc1 1270654991 DFVDYMCFTPNLCJ-KBXCAEBGSA-N 433.371 4.706 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@H]1CCCC[C@H]1C 1286436890 ZZCVVDJVBWWUHT-XLIONFOSSA-N 432.515 4.601 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC(C)(C)C1 1286499736 VDCXJZQYHGXKOR-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC1(C)C 1286549740 BHOGKVCDLMYNKY-UEXGIBASSA-N 428.552 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](OC)C(C)(C)C1 1286554850 ZLYZMQZLNMUDNI-XPGWFJOJSA-N 448.970 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCC1 1286568236 RFRBVBMVXOHQCW-SFHVURJKSA-N 432.012 4.958 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1286569480 RKQIWFKXLRNMEM-RTBURBONSA-N 431.028 4.764 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCC[C@@H](COC)C1 1286604358 JLXNYPHAJCAZTE-OAQYLSRUSA-N 449.599 4.647 30 10 IJEE C=CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CC)[C@H](C)C1 1286695167 PYGBSOIHXVIGOM-GOSISDBHSA-N 436.629 4.874 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCOC(C)(C)C1)C1CC1 1286735375 XMZCDEQQZVLNMN-UHFFFAOYSA-N 437.632 4.508 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCc2ccccc21 1286761226 YKOXGIZLLPGELB-BGWNEDDSSA-N 449.643 4.826 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CCc1cc(C(F)(F)F)ccn1 1286766995 BJJHTUVFAPTPFC-UHFFFAOYSA-N 445.489 4.549 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OCC2CC2)C1 1286827693 XIMLLKKWYKLVKW-FQEVSTJZSA-N 433.021 4.913 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1 1288495396 FGECMARCUMFJIT-SFHVURJKSA-N 434.613 4.950 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C 1292776302 JAYREXZACGIUNL-JOCHJYFZSA-N 440.515 4.958 30 10 IJEE CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 1292828617 AMURQJBOEUSKNQ-UHFFFAOYSA-N 437.412 4.592 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1300353417 KUMOHDMKZLEWSS-UHFFFAOYSA-N 445.567 4.504 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1300371144 NRBRCWVHCJXYBF-XMMPIXPASA-N 430.600 4.522 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1300410364 MXXKATFCWXYNRN-CLOONOSVSA-N 441.620 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cc(C(C)(C)C)no1 1300438226 ICZWRHLWNHRSAP-UHFFFAOYSA-N 442.567 4.756 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(OC(C)(C)C)nc1 1300638775 WVYSFVTVGMRRBG-UHFFFAOYSA-N 447.583 4.554 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1300770342 TVHIJAQUXBEYQQ-WMQCIHAUSA-N 445.032 4.892 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 1300891174 JTNRVQYZUGFMKR-FUCAVZNHSA-N 438.616 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)o1 1300896846 KQSCVKLAJDEFQM-WZONZLPQSA-N 440.519 4.515 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OC(F)F)c(OCC)c1 1300948874 GJFSEMUMOFSHOG-GOSISDBHSA-N 436.503 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(CC(=O)NC3CCCC3)CC2)nnc1C(C)(C)C 1301158382 CQIZHAWKIRRCRO-UHFFFAOYSA-N 429.653 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301160719 WECQFWYFTPPCGD-OAQYLSRUSA-N 442.604 4.719 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1301174426 RGKCCPXESVGDIY-CYFREDJKSA-N 428.552 4.920 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2F)cc1Cl 1301277087 BYOSVMOVFQUDCE-IBGZPJMESA-N 428.822 4.746 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)[C@H](C)CC)C1CC1 1301316199 HUYOEYLAGKWXAF-VFNWGFHPSA-N 433.394 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1 1301359913 RLTPWHXIOGPEQB-UHFFFAOYSA-N 426.505 4.584 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CC(C)(C)c1ccc2c(c1)OCO2 1302126516 CLODHLZGZPAJPX-UHFFFAOYSA-N 437.588 4.703 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccnc(C(F)(F)F)c1 1303635487 GXKRZJRGDKDYKB-CQSZACIVSA-N 439.445 4.627 30 10 IJEE CCc1ccc(-c2cc(NC(=O)CN(CCC#N)CC3CC3)n(-c3ccccc3)n2)cc1 1307512374 CVDAIJPJDLWWRQ-UHFFFAOYSA-N 427.552 4.666 30 10 IJEE C#CCN(C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCc2ccccc21 1311813793 UHUIYQOMTYPYBD-KJXAQDMKSA-N 439.600 4.744 30 10 IJEE C#C[C@@H](NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1)c1ccccc1 1312937944 UJWPKCICFKPZSH-OAQYLSRUSA-N 441.959 4.751 30 10 IJEE C[C@@H]1Oc2ccccc2N(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)C1=O 1347983610 FRENNLHIUGXISM-GJZGRUSLSA-N 437.565 4.523 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCc2nnc(-c3cccc(C)c3)n2C1 1350407315 JNOUTGQSSHYHAR-QGZVFWFLSA-N 426.973 4.746 30 10 IJEE CC(C)Oc1ccc(CC[C@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)cc1 1351029300 CKEVATRYMNJMEW-INIZCTEOSA-N 445.357 4.624 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@]1(C)OCCc2sccc21 1359114697 UZCDLCVDZSDCSA-DEOSSOPVSA-N 440.588 4.960 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 1359119208 BMXKZMGPQGTKTO-UHFFFAOYSA-N 434.293 4.512 30 10 IJEE C=C(Cl)Cn1c(N2CCO[C@@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C 1359157188 BABMGIZMDMNQAU-MRXNPFEDSA-N 439.785 4.669 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCCCCC2)CC1 1359159475 XDKCMUGPLPQXQF-FQEVSTJZSA-N 427.568 4.590 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359183942 YGBWDLFFMLCQCX-GOTSBHOMSA-N 448.615 4.524 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1359212441 LWQCHMNDLUGSDT-UHFFFAOYSA-N 439.579 4.669 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCSC[C@@H]1C 1359223890 YYCISFUFBCVGIV-IRXDYDNUSA-N 432.659 4.666 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(N2CCCC2)nc1 1359244628 KIPWXFAJUDYKOA-UHFFFAOYSA-N 434.613 4.545 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CCCCC2)C1)C(C)C 1359265205 AUDKTCMDHFDRBV-DHIUTWEWSA-N 441.664 4.641 30 10 IJEE C=CCN(C(=O)Cc1cccc2ccc(OC)cc12)[C@@H](Cc1ccccc1)C(=O)OCC 1435901530 STSHXQTXHKSZPI-VWLOTQADSA-N 431.532 4.580 30 10 IJEE C#CC1(NC(=O)c2ccc(OCc3ccc(Br)cc3)c(OC)c2)CCCC1 1438846047 FLHWOIFKSYJJRV-UHFFFAOYSA-N 428.326 4.713 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc1 1440890926 BHJBAZGVABGJQH-INIZCTEOSA-N 438.528 4.832 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CCC(=O)c1ccc(I)cc1 1448926204 WTIGMQNHJIOPJR-UHFFFAOYSA-N 447.316 4.859 30 10 IJEE N#C[C@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CCN1Cc1ccccc1 1456273581 HOLYNQAQFYMGCL-QFIPXVFZSA-N 441.497 4.754 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cccc(Cl)c1Br 1459842978 ARMJBRJKEIBUCS-ZDUSSCGKSA-N 430.730 4.628 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12 1463557863 CMRKYEBLWDCAQD-UHFFFAOYSA-N 432.929 4.595 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 1477299705 RIEXWGJGPIUBIZ-UXPWSPDFSA-N 437.506 4.803 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1 1477908001 VUTBICSNUANUPT-VQTJNVASSA-N 435.877 4.607 30 10 IJEE C#C[C@H](NC(=O)N(C)CCCOc1cccc(Cl)c1)c1ccc(Br)cc1 1478895595 DJIMDQOBBHBAEH-IBGZPJMESA-N 435.749 4.887 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1500037105 GGZPZTKNUOSNHR-QZTJIDSGSA-N 440.592 4.697 30 10 IJEE CCCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCC1(F)F 1500450525 DGDOOAFULKWEDB-FQEVSTJZSA-N 431.531 4.895 30 10 IJEE CS[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1505177322 DHUNAUPVOFLWGY-TXPKVOOTSA-N 433.597 4.931 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 1507563236 SEIARYGADIOYAX-VWLOTQADSA-N 435.572 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1507810185 KTDLGXZAURWXCG-FJIJXJHWSA-N 440.588 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)CN1CCCCC1 1507822345 UNRPNWOHUSZGFV-QFIPXVFZSA-N 434.632 4.806 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)OC(C)(C)C1 1507839952 WPVAGXOMTLHKDT-SFHVURJKSA-N 444.645 4.872 30 10 IJEE C=C(Cn1c(N2CCC(Cl)=C(Cl)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1507850597 OYTNDXFLHRXSPM-QFIPXVFZSA-N 449.382 4.543 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C(C)C)C1 1507910790 ASBLLUKPVFIDMO-NRFANRHFSA-N 442.629 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1507918499 CMVZZAUGWZDZDV-WIYYLYMNSA-N 428.552 4.604 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)c1ccccc1 1507923615 AVGUNIBKQANRDU-XLIONFOSSA-N 433.522 4.588 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)[C@H]1C)c1ccccc1 1507927868 FSWZFGVPHXHBFA-OFNKIYASSA-N 431.584 4.628 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](c2ccnn2C)C1 1507943248 BSWNBXRTUAAGDW-KRWDZBQOSA-N 440.979 4.691 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCOCC1 1507957545 HHAWBRHKRCBCLQ-IBGZPJMESA-N 448.995 4.508 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCN1CCCC[C@H]1CC)C1CC1 1507994094 WTBLNWNMJPMIHF-GOSISDBHSA-N 429.559 4.566 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1508019323 FSEHRIVHQKUFMI-NBGIEHNGSA-N 425.596 4.697 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](C)[C@@H](C)C2)cc1 1508105833 SIJDOLRMOYZNCB-MSOLQXFVSA-N 437.613 4.729 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccc(Cl)cc1F 1525070612 WCRVKZKFXKCGDA-JOCHJYFZSA-N 445.881 4.591 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(SC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1525464904 BCALPPPCRCKLCI-IBGZPJMESA-N 429.460 4.997 30 10 IJEE Cc1c(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)nnn1-c1ccc(F)c(F)c1 1527037389 BQPUBDGZISVFDZ-WDEREUQCSA-N 427.480 4.725 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@H](CC)[C@H]2C)ccc1Cl 1529576376 YSIVQWGCLRNCNE-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 1532068561 UVCSZBVTTFYBMV-UHFFFAOYSA-N 447.332 4.977 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(C)c(C2CC2)nc2ccc(Br)cc12 1538572588 WWBQMYSEKZWMMY-VFNWGFHPSA-N 429.358 4.894 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C(CC)CC)no1 1539268289 LZGZLZPCEIVWRE-UHFFFAOYSA-N 435.959 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(C)c1 1539632380 RCEOVEBFKBRLHL-NFBKMPQASA-N 426.605 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N(C)C1CCCCC1 1539655241 KAZOHIUAWFQQSA-UHFFFAOYSA-N 429.996 4.792 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1539701484 IXMGKYRUZSRQGQ-UXHICEINSA-N 443.636 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOC2CCCCCC2)CC1 1539840567 YBHWOAGUKOLATM-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC=CO2)CC1 1539874438 GHBIMVZELLORSO-LJQANCHMSA-N 429.362 4.803 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1539888556 RBTDCWUQMSJECL-UHFFFAOYSA-N 435.494 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1539929396 VJTNMDIOJZBIEB-IBGZPJMESA-N 432.996 4.974 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCN1CCCC[C@@H]1CC 1540142368 KBZLRIVZXKZAAJ-FQEVSTJZSA-N 438.645 4.802 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C 1540147863 OLZVVRJHADTVHM-RTWAWAEBSA-N 441.620 4.549 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCCC1(C)C 1540155465 XAPJIVOSMZBHHV-KOSHJBKYSA-N 428.552 4.677 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cc(COC(C)(C)C)on1 1540182657 SNQIZJVZIUYRAT-UHFFFAOYSA-N 441.576 4.755 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1542382917 CFQTZVZSRZSPRF-LJQANCHMSA-N 446.349 4.568 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(CN2CCCCCC2)cc1 1542385036 CRMLNTGCLWWBEZ-UHFFFAOYSA-N 444.579 4.743 30 10 IJEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C(C)C 1555121473 GDIMSIOSYSKWRP-UHFFFAOYSA-N 444.564 4.745 30 10 IJEE N#Cc1c(NC(=O)CCN2CCC[C@H](COc3ccccc3Cl)C2)sc2c1CCC2 1559721927 DWBGBGGKSNOLPZ-INIZCTEOSA-N 444.000 4.881 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1)C(C)(C)C 1562454119 FFJIOHIEIFVIJJ-HXUWFJFHSA-N 436.487 4.667 30 10 IJEE C=CCc1cc(CNC(=O)NC/C=C/c2ccc(Br)cc2)cc(OC)c1OC 1563815223 ZXGKRAWWDWTEEC-FNORWQNLSA-N 445.357 4.707 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)c1ccccc1 1583036398 DYXGAQQXSPLRHX-OAQYLSRUSA-N 434.989 4.808 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCOC1CCCCCC1 1587562310 NWXPNIFVILCNSJ-OALUTQOASA-N 428.552 4.755 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCCC1 1588193676 IMTODWFYKHPSDR-UHFFFAOYSA-N 449.668 4.613 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1593717579 HSGRBIAVFASNEU-QFIPXVFZSA-N 426.605 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1594448159 ADRAICJOANUPFH-LJQANCHMSA-N 448.546 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnc(C)s1 1594473683 WZDPUYQGECOMEH-UHFFFAOYSA-N 439.585 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C2CCOCC2)C1 1594520986 IUJPOYUWTOUAFS-QFIPXVFZSA-N 438.616 4.755 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(OC)CC1)c1ccccc1 1594543632 DAMBXKHMOGURIE-MVERNJQCSA-N 438.616 4.927 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1594581943 IAPTUOKWKIFLPG-FXAWDEMLSA-N 444.421 4.737 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccco1)N1CCCCC1 1595009511 IGUXFHSOKIDZEC-KCZVDYSFSA-N 441.620 4.639 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@](C)(CC)C1 1595845585 WOAIDNRIUCOHIH-GBXCKJPGSA-N 444.645 4.959 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O 1597214733 RNNOERKZWZMMSO-UHFFFAOYSA-N 440.421 4.890 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc(OC)c1OC 1598111937 SYQHPVYJGUIBJE-UHFFFAOYSA-N 427.504 4.978 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(-n2ccnn2)c1 1611069105 AODHAIJXVFPCCQ-UHFFFAOYSA-N 432.299 4.809 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(OC)cc(-n3cccn3)c2)cc1OC 1620926383 QNGJUAGWSWCKSU-UHFFFAOYSA-N 444.329 4.829 30 10 IJEE Cc1ccc(N2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)CC2=O)cc1 1627253766 HBTTUAAXYJEPOR-UHFFFAOYSA-N 445.906 4.801 30 10 IJEE C=CCC(F)(F)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1628397516 NROVTRXFSUNGHX-UHFFFAOYSA-N 434.386 4.656 30 10 IJEE CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)N(C)C)cc1 1629215050 GPVLEEJBYLIROV-RUZDIDTESA-N 445.563 4.961 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)n[nH]2)c1C 1631180518 XJAYZAHEDPIVOB-QPPBQGQZSA-N 447.583 4.585 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 1634415779 QNMKHKQAVBEXNN-HOTGVXAUSA-N 442.478 4.836 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)cc2n1 1635707896 FSIQYSHQXLXXIY-JOCHJYFZSA-N 432.524 4.523 30 10 IJEE C#CCN(CC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21)C(=O)OC(C)(C)C 1636974865 RTEXOKOLOYYTSH-NOZRDPDXSA-N 432.564 4.834 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@H]1CN(C2CCCCC2)C(=O)O1 1641675380 KIPBJTUFATVWQC-GOSISDBHSA-N 425.342 4.730 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)c(Cl)c1 1645997531 CHPXBBGUOIYTOG-UHFFFAOYSA-N 426.900 4.703 30 10 IJEE C=CCOc1ccc(-c2nnc(SCC(C)(C)CN3C(=O)c4ccccc4C3=O)o2)cc1 1652715150 WYLDCTMYTIFYPD-UHFFFAOYSA-N 449.532 4.716 30 10 IJEE C=CCn1c(O)nnc1SCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 1652724021 RWNBTLCGPPIVNP-UHFFFAOYSA-N 437.352 4.859 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@H](c3ccccc3)C3(CO)CCC3)c2C#N)C1 1653693473 AFXCXUOAONMVAV-GAJHUEQPSA-N 437.609 4.567 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1)c1ccccc1 1662358815 LCJYUZORGMQBDV-NHCUHLMSSA-N 434.399 4.933 30 10 IJEE CN(C)[C@H]1CCCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1662958721 GPVUWXCNWMGJGK-AWEZNQCLSA-N 429.380 4.924 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1 1663017986 LLGWZOQXKNGMMN-IAGOWNOFSA-N 429.483 4.839 30 10 IJEE C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN1Cc1ccccc1 1668478644 HQKCQPXKFLTWQO-FQEVSTJZSA-N 441.535 4.874 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cccc3cc(C(=O)OC)sc23)cc(OC)c1OC 1670463354 KPMJZBBIJGSPQO-UHFFFAOYSA-N 440.521 4.755 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CC)[C@H](C)C(=O)OC(C)(C)C 1672708186 GTJCZYWKVBUVBP-CYBMUJFWSA-N 427.339 4.598 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](CCOC)c2cccc(C(F)(F)F)c2)cc1 1673643040 APBBDVMDYZJZRR-LJQANCHMSA-N 435.446 4.521 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OC)c(Br)cc1Br)c1ccccc1 1677150643 UMFWFJOSITYBME-CQSZACIVSA-N 438.119 4.716 30 10 IJEE C#CCN(C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)[C@H]1CCCc2ccccc21 1677681600 BPGZRNHJOMVVJJ-VWLOTQADSA-N 446.591 4.774 30 10 IJEE C#C[C@H](NC(=O)N(CCOC)Cc1ccc(C)c(C)c1)c1ccc(Br)cc1 1686921526 MJILFGZQVZVLCW-NRFANRHFSA-N 429.358 4.598 30 10 IJEE C#CCN(C(=O)NCC(C)(C)CC(F)F)[C@H]1CCOc2ccc(Br)cc21 1687463398 WZRGYMAZPWYXHN-HNNXBMFYSA-N 429.305 4.599 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1687781286 JIBKDJKOKZRPAY-BMFZPTHFSA-N 425.982 4.640 30 10 IJEE C#CCSCCn1c(-c2ccc(F)cc2Br)nnc1N(CC)CC(C)C 1690163652 MPIUGYPRFITHGW-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1scnc1C 1690193535 LZLMRDVPPDWTKM-GAJHUEQPSA-N 439.560 4.557 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H]1CC=CCC1 1690294498 ITUZFQAZTYUNSR-KRWDZBQOSA-N 431.378 4.988 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)N2CCCCC2)CC1 1690364740 WQPNQRDVTQIGPF-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCC[C@@H](C)C2)CC1 1690364854 YSHWPPPPMBHZBT-NFBKMPQASA-N 437.632 4.923 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 1690412184 GYCLJAXLPUYOSJ-LJQANCHMSA-N 437.632 4.846 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1690462633 LPDIWEJYVTVJFX-GOTSBHOMSA-N 429.653 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CCO[C@@H]1C1CC1 1690596957 FMOVYGCRUTYMJV-VWNXMTODSA-N 428.527 4.531 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCCC2)C1 1690690443 YVJMDEMETCZJBM-FGZHOGPDSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)C1 1690707334 SYXYJDFTDXBNGB-PKTZIBPZSA-N 449.574 4.624 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCOC(C)(C)[C@H]1C 1705509916 PRBXJHMEFGAHHF-ZWKOTPCHSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1705518983 ZSPTZTSVZGZYSW-XZOQPEGZSA-N 438.591 4.986 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1705727511 JNJFUIWZUGWQMF-NRFANRHFSA-N 438.616 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nc(C(F)(F)F)cs2)CC1 1705767385 LCWGZIBSHPWLSS-UHFFFAOYSA-N 434.491 4.523 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1705860520 SATIUGDHYMRRFR-HXUWFJFHSA-N 432.616 4.730 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705948725 DCDNYYBHBIMBDD-VLCRHTCISA-N 442.629 4.800 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C1 1710775549 CJEXUKHTPVHJRY-QGZVFWFLSA-N 441.988 4.637 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1cccs1 1722285392 SWSCDTUTZYBDMR-HNNXBMFYSA-N 429.387 4.778 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(C)C)C1 1722320909 OLSVVGJKDGZLIW-SFHVURJKSA-N 445.405 4.905 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCOCC 1722495881 IHSDDFVNNDUJBJ-DNVCBOLYSA-N 439.387 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1csc([C@@H](C)OC)n1 1722513423 YJHFUIKEIGADCA-MRXNPFEDSA-N 427.574 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccccc1)N1CCCC1 1722513628 CPOYNZBOHZHZPW-DEOSSOPVSA-N 430.600 4.503 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(C(N)=O)CCCC2)CC1 1722575808 XYJZSFHDAOUJHG-UHFFFAOYSA-N 448.398 4.700 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1722579164 LDODFFJSUZBLCM-IBGZPJMESA-N 448.615 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CNC(C)=O)CC1 1722586163 VNEHBQNXFKLVHV-UHFFFAOYSA-N 429.996 4.553 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1cccc(C)c1 1722682433 IWIGKEVCYCYLIB-SFHVURJKSA-N 426.362 4.882 30 10 IJEE C=CCn1c(C(C)C)nnc1N1C[C@@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1722682954 UUJAEFHRENRIDD-YEJXKQKISA-N 433.915 4.684 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@@H](C)OC)C1 1722711586 VHLSPGJXLQWQET-WSTZPKSXSA-N 448.995 4.505 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(c2ccccc2C)CC1 1740603268 LPMZXJXWHJBTNP-UHFFFAOYSA-N 441.398 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@@H](C)C1 1740650781 NOBMKDTWPALKKS-RTWAWAEBSA-N 434.584 4.640 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@](C)(O)c1cccs1 1740677802 QXWOCJSLDMRYPR-SBUREZEXSA-N 426.561 4.540 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C1CCCCC1 1740753147 GDVFQCUOZUDCIA-WZONZLPQSA-N 440.588 4.712 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740802446 LPDPDBNAQNTANE-QIIPPGSGSA-N 425.360 4.685 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1740848828 SDTICCYJSSNJNC-QFIPXVFZSA-N 437.632 4.718 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740859228 IIRPKPWNMOKMJT-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1740872502 LWFJGJGRTCMSSC-UHFFFAOYSA-N 445.995 4.869 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(F)(F)F)C1CC1 1740908229 PEGZWXSUMFVOGT-UHFFFAOYSA-N 446.315 4.789 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1740913592 PRPHKRCXUFMQKY-JOCHJYFZSA-N 437.632 4.749 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)c(F)c1 1740925093 JMWLEPKCHJDXLP-UHFFFAOYSA-N 434.288 4.541 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOc1ncccc1F 1740925487 OJVNXRWICWZJKP-UHFFFAOYSA-N 444.514 4.593 30 10 IJEE C=CCN(CC=C)c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)N(C)C1CCCCC1 1740925618 PUJPJGLEHHBECX-UHFFFAOYSA-N 447.627 4.718 30 10 IJEE C=CCn1c(N(Cc2cccs2)C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950237 YAWHAYWXEYRSTH-CALCHBBNSA-N 431.606 4.711 30 10 IJEE Cc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)s1 1742551723 GYIAAUNFBAKRSM-UHFFFAOYSA-N 432.553 4.946 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1cccs1)N1CCCC1 1748649698 SCCTWLAJRBXDQH-FXAWDEMLSA-N 440.016 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1748654470 IORSIXATMLHRJH-KRWDZBQOSA-N 449.555 4.894 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1oc(CCC)nc1C 1748908198 VQADGVHVECFESK-FQEVSTJZSA-N 435.572 4.792 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C)CC1 1749124909 RABASMOISUBRAQ-YDHSSHFGSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCc1csc(CC)n1 1749166141 WXOBTBHTAMXYRS-UHFFFAOYSA-N 434.613 4.945 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC1CC1)C1CCCCC1 1749170138 FVVGJIDHBOUZIY-UHFFFAOYSA-N 442.007 4.987 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749413589 WUJAVEIHAYFXBN-QHCPKHFHSA-N 437.632 4.869 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1cccc(F)c1 1749552577 GNJTWXPPEKWHRO-LAUBAEHRSA-N 442.560 4.990 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1CC[C@H]1CCCCO1 1749563331 CSXYOGAWQSDBEK-LJQANCHMSA-N 431.378 4.845 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCC)C1 1749697344 JDNQIHKRGZOAER-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1749754500 ODGKMAQTSOBBJH-UXHICEINSA-N 449.020 4.670 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1760132534 OIJKHEPITIIZFY-OAQYLSRUSA-N 449.643 4.688 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1scnc1C 1760149653 PEDXXJGDEDGZSW-UHFFFAOYSA-N 444.402 4.831 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@H](c1ccsc1)N(C)C 1760211328 FUHRDRGNKFQGND-BJKOFHAPSA-N 445.636 4.647 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N(CC)CC)nc1 1760228687 OSBNQMHPIGPPTM-UHFFFAOYSA-N 444.627 4.992 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC)Cc1ccc(F)cc1 1760276406 CTJZENGWFJVDAV-UHFFFAOYSA-N 429.952 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCc2cccnc21 1760339395 HCYUFUKSXHKHOC-QHCPKHFHSA-N 445.611 4.989 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1760410348 BBIJRHWDGUHZLF-UHFFFAOYSA-N 437.548 4.604 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(Cc1ccco1)C(C)C 1760563262 LWCCDUYZJVITGF-UHFFFAOYSA-N 440.569 4.644 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1766793796 BXFPGHKJIGXATQ-OAQYLSRUSA-N 440.661 4.517 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1)CCC(F)(F)F 1766879120 CWMYGNXTCQCAEZ-QZTJIDSGSA-N 448.537 4.573 30 10 IJEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2cccs2)cn1 1768653349 GSSHQPYDXPGLAR-MRXNPFEDSA-N 430.537 4.528 30 10 IJEE N#CCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ccc(F)c(Cl)c2)CC1 1771539628 FNNUVVNEHREGDG-FQEVSTJZSA-N 447.942 4.521 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)c1ccsc1 1772522819 XCZOBDSMXKBLIC-FGZHOGPDSA-N 444.963 4.699 30 10 IJEE Cc1c(OCc2ccc(Br)cc2F)c(=O)ccn1Cc1ccc(C#N)cc1 1857918126 BQDHQPGCKHZGOX-UHFFFAOYSA-N 427.273 4.557 30 10 IJEE N#Cc1cccc(NC(=O)Oc2ccc(CNC(=O)CCCOc3ccccc3)cc2)c1 1858898677 LROPLQXUJRKOGW-UHFFFAOYSA-N 429.476 4.645 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861162334 FPZSXZWMDGRZGJ-XMMPIXPASA-N 447.639 4.799 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccccc1 1862413057 UJLHGBSQCKKERL-OAQYLSRUSA-N 429.463 4.750 30 10 IJEE O=C(C1=C(O)C(=O)N(CCOc2ccccc2)[C@@H]1c1ccc(O)cc1)c1cccc(Cl)c1 1862443856 UVKHGLLZNBBMKH-JOCHJYFZSA-N 449.890 4.703 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862487745 IGKJPLNENYCRKZ-YJYMSZOUSA-N 428.872 4.933 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC(C)C)cc(Cl)c1O 1862497550 NBDRQXTXIGMWAJ-FQEVSTJZSA-N 443.927 4.905 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1cccc(O)c1 1862613635 LTWJONGUFRZLLU-QFIPXVFZSA-N 437.536 4.695 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2)cc1F 1862637337 XNORJZAEBOATNI-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674859 VTMCYNLQRGJMAP-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(F)cc2)c1 1862735615 OZFGAGKXKNHCHA-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1ccc(F)cc1 1862736720 NFWBUKKDRFZZCR-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863460336 JLFIQLUTFKVFBU-UHFFFAOYSA-N 433.527 4.748 30 10 IJEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1863625249 YMGNVHBQAHQKPJ-UHFFFAOYSA-N 440.330 4.573 30 10 IJEE CC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866974168 PPMURVLEJVBESZ-WOJBJXKFSA-N 442.357 4.594 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCc2ccccc2)cn1CCCOCCCC 1870689708 AIZCIAKERLNQAL-UHFFFAOYSA-N 438.612 4.851 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(CC)cc1 1870972341 UQHRCWJBXARTGV-UHFFFAOYSA-N 441.616 4.898 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(C)c(F)c2)cc1=O 1871006564 LYOZRLTYIDUMOJ-UHFFFAOYSA-N 429.495 4.644 30 10 IJEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871117301 HWWABJAIVCWGTL-UHFFFAOYSA-N 433.980 4.647 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc1 1871432741 OXQDDOQTBILFNL-OYKKKHCWSA-N 427.456 4.831 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871780622 PHRWUINWYIMGGD-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCCC 1872156372 KLQVAEJTQIQTOY-HSZRJFAPSA-N 449.661 4.648 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(=O)(=O)CC 1872201219 JYNIFKCCYJEADQ-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1C 1872252215 JELKFXBMOFIQFB-QFIPXVFZSA-N 428.598 4.986 30 10 IJEE N#C[C@@H](C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872772174 APHULJRLWOAEFS-ZDUSSCGKSA-N 441.852 4.633 30 10 IJEE CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874316632 DCKDRVMAKHAOHU-HYARGMPZSA-N 445.932 4.846 30 10 IJEE CCSc1nnc(CCOc2ccccc2)n1/N=C/c1cccc(Br)c1 1874345293 HIOUEUAWFBRVKP-KGENOOAVSA-N 431.359 4.656 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCc3cccs3)nnc2SCCCO)cc1 1874374085 GLJAPKKHMAJBJM-HAVVHWLPSA-N 444.626 4.660 30 10 IJEE C=C(C)CSc1nnc(CCOC)n1/N=C/c1ccc(OCc2ccccc2C)cc1 1874471564 WBIRRWAVHVLLEQ-MFKUBSTISA-N 436.581 4.905 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cc(C)ccc2O)c(C)c1 1874498875 URULIAAOKHKMTA-DHRITJCHSA-N 449.580 4.789 30 10 IJEE CCOc1ccc(/C=N/n2c(COC)nnc2SCc2cccc(Cl)c2)cc1OC 1874505825 BERNNJPTBYLWGA-FSJBWODESA-N 446.960 4.660 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)NCc1ccccc1 1874613290 MRYGPMAHMFCKOJ-ZRDIBKRKSA-N 435.907 4.940 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3oc4cc(OC)ccc4c3C)cc21 1890879140 SKIDWJFQQCMNDC-UHFFFAOYSA-N 434.492 4.940 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NC[C@H](c3ccsc3)c3ccco3)n[nH]2)c1C 1891565111 JKNSVIWCVHMHOX-GOSISDBHSA-N 435.553 4.683 30 10 IJEE C=C(COCc1ccccc1)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1922134549 UEGHHCMFRXZLRO-TUACAJSNSA-N 441.568 4.619 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](C(C)C)N(Cc2ccccc2)C1 2029765634 WLAAQHCPIDQTFC-ZEQKJWHPSA-N 442.648 4.758 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1F 2060626207 UNLLOCTUSKKLMC-UHFFFAOYSA-N 434.317 4.527 30 10 IJEE COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(C#N)c2I)c(C)c1 2079934155 KLPLIXJVEHQJBP-OAHLLOKOSA-N 445.251 4.859 30 10 IJEE CC1(C)C[C@@H](Nc2ccc(C#N)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2106020623 UOYDTDJEMJRTKB-CYBMUJFWSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2Nc1cc(Br)c(C#N)cc1F 2175899390 VEVOJNONVUQWTK-JLZZUVOBSA-N 438.341 4.906 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)C#Cc2ccccc2Br)cs1 2227464787 VOQSUEKOLGTWNR-LBPRGKRZSA-N 435.343 4.726 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCCN1C(=O)OC(C)(C)C 2235715526 BDDDULXUTNQZQL-RTBURBONSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2 2235722340 SCSPOSDNWGEKCC-XTWGIRIWSA-N 433.390 4.616 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)C2CCCC2)sc1B1OC(C)(C)C(C)(C)O1 2247848940 SMEUYICLUFKZTJ-UHFFFAOYSA-N 425.403 4.941 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCC(=O)O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2262206226 NYGNXXTWLQUIQP-SQJMNOBHSA-N 447.572 4.655 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2266067177 ULWWDOKJHMGSDC-UHFFFAOYSA-N 439.365 4.648 30 10 IJEE Cc1cnc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267223869 IKJYGCCABYOBNE-IBGZPJMESA-N 436.405 4.766 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@@H](O)C#Cc1ccc(Br)cc1 2278789434 NKLFMONIWOWESJ-IRXDYDNUSA-N 442.419 4.587 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)c3ccccc3)n(C3CC3)c2)OC1(C)C 2281816147 WNACLJKLTKNTDD-UHFFFAOYSA-N 442.368 4.969 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](N)C#CC1CCCCC1 2289688609 WARQYCMWMWFTMS-UXHICEINSA-N 435.406 4.796 30 10 IJEE CC1(C)C[C@](C#Cc2ccccc2Br)(OCCN)[C@@H]1OCc1ccccc1 2292593976 TTYDCCQWXRVSHJ-GGAORHGYSA-N 428.370 4.530 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2296215842 DZHYVNHXMCIMHV-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F 2296218650 GJLGRGGVUKUPEL-OXQOHEQNSA-N 445.348 4.717 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)c1c(F)cccc1I 2296228871 DESCXVYHDBDRMU-OAHLLOKOSA-N 444.085 4.505 30 10 IJEE CCOC(=O)[C@H](Oc1ccc2c(c1)OC(=Cc1ccccc1OC)C2=O)c1ccccc1 2296867290 HCBSFPZFLZVEDZ-RUZDIDTESA-N 430.456 4.995 30 10 IJEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC1(C)C 2318386832 GAESDOFWECZGOH-XTEPFMGCSA-N 432.656 4.927 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1sc(N(C)C)nc1C 2321773168 WQGOCOKYLYHIML-UHFFFAOYSA-N 435.022 4.889 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc([N+](=O)[O-])c1OCCO 2324224470 OVFQKIXZGHGKHX-UHFFFAOYSA-N 443.496 4.567 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2Cl)cc(Cl)c1OCC(N)=O 2324662092 GJBAJYDPQKIQRL-UHFFFAOYSA-N 428.699 4.806 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(OC)c(OC)c1)C2=O 2325027752 PMPGIXFTIAWCKD-UHFFFAOYSA-N 440.492 4.822 30 10 IJEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325633113 MWSPVPJUUCIHAJ-UHFFFAOYSA-N 438.296 4.682 30 10 IJEE Cc1cc(OCC(=O)c2ccc(NC(=O)C3CC3)cc2)cc2c1C(=O)C(=Cc1ccco1)O2 2325648716 KNRAIEHEHBRYHT-UHFFFAOYSA-N 443.455 4.814 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cccc(F)c1 2325952284 WWHGNGSYJGOIJU-UHFFFAOYSA-N 431.334 4.931 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc(C#N)cc2)c(OCC)c1 2326667297 KFRLBVRMYFVAKD-UHFFFAOYSA-N 435.553 4.684 30 10 IJEE COc1ccc(Cc2nnc(SC)n2N=Cc2ccc(Cl)c(Cl)c2)cc1OC 2326719871 BYAQECNGIKMPMM-UHFFFAOYSA-N 437.352 4.797 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1cccc(OC)c1OC 2327082632 VJRMXILUQPRMQS-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2N=Cc2ccc(OC)cc2OC)cc1 2327356034 WRRKCTYDIJKQNR-UHFFFAOYSA-N 440.569 4.821 30 10 IJEE CCOc1c(C=Nn2c(COc3ccccc3Cl)nnc2SCC)cccc1OC 2327635818 XUKFIUPTDWWGDS-UHFFFAOYSA-N 446.960 4.912 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1N=Cc1cccc(Br)c1 2328261778 KDVXPLJBJWGLSL-UHFFFAOYSA-N 447.358 4.622 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc2c(c1)OCCO2 2328961755 XLQKLAKLJLEXCQ-UHFFFAOYSA-N 434.565 4.612 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1N=Cc1cccnc1)Nc1ccccc1 2329524506 DWMCZLFDJHZGOG-UHFFFAOYSA-N 448.939 4.607 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2)c1 2330700906 WKDXJVWQEKTUCH-UHFFFAOYSA-N 441.560 4.544 30 10 IJEE CCCOc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)OCC(C)C)cc1 2330871803 PXPQYORWJHLJAH-UHFFFAOYSA-N 446.617 4.829 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2[C@@H]2CCCO2)cc1 2330889347 AMUYCHUYKJOZKB-NRFANRHFSA-N 449.580 4.866 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(C(C)(C)C)cc1 2330994093 QRIYBXRQOJQUPG-IBGZPJMESA-N 444.601 4.601 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1N=Cc1cccc(Cl)c1 2331226597 WSFSSJPFOQOBAE-UHFFFAOYSA-N 445.976 4.814 30 10 IJEE CCCCc1nnc(SCC(=O)N(CCC)CCC)n1N=Cc1ccc(OCC)cc1 2331344878 VHUYDHZCFZJBCK-UHFFFAOYSA-N 445.633 4.642 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2ccc(F)cc2)cc1OCC 2331555760 ULAMUPKZWFORTB-UHFFFAOYSA-N 444.532 4.536 30 10 IJEE CC(C)c1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(C(C)(C)C)cc1 2331695278 IZAXSEMIFKJXOH-UHFFFAOYSA-N 439.585 4.583 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2N=Cc2cc(Cl)ccc2O)cc1 2331734557 ZQPJYEOJXCBSPR-UHFFFAOYSA-N 429.889 4.597 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(OC)c2)c(OCC)c1 2331739998 XMVNNYOECJWWQH-UHFFFAOYSA-N 438.398 4.856 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CN(c2cc(Br)cc(F)c2C#N)CC1(C)C 2336371220 OCIZGQQZXXMACJ-INIZCTEOSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3ccc(/C=C/B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339595093 FMJNALMYDBFSGK-DITRBWIGSA-N 441.381 4.536 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccc(OC)cc1 23998326 CLVHIZFPLZLMFC-QZTJIDSGSA-N 448.592 4.988 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nccn1-c1ccc(Cl)cc1 24320566 BAQMUDHGAZJVRO-INIZCTEOSA-N 440.956 4.962 30 10 IJEE COc1ccc([C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)N(C)C)cc1 32201406 FTKBLMVFQDQVQM-JOCHJYFZSA-N 431.561 4.751 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(N(C)C)cc1 40098424 VXUCVYAAMLEGJQ-JOCHJYFZSA-N 448.519 4.886 30 10 IJEE N#C[C@H](C(=O)c1cccc(I)c1)c1ccccc1Br 55333630 UVXGFSHCNZTZNT-ZDUSSCGKSA-N 426.051 4.544 30 10 IJEE O=C1C[C@@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1CCc1ccccc1 59446246 RXCOYEILJDAFGP-HSZRJFAPSA-N 443.572 4.567 30 10 IJEE O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)n1ncc(C(=O)Nc3ccc(Cl)cc3)c1N2 64874096 MBISJRCNWAIUQE-OAQYLSRUSA-N 436.874 4.950 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nc3ccccc3n2Cc2ccccc2C#N)C1 95087543 ROOADWNPFHMHHN-LJQANCHMSA-N 445.567 4.697 30 10 IJEE Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1C#N 97542413 RUABKKOZZJZTBK-VURMDHGXSA-N 447.472 4.808 30 10 IJEE CN/C(=N\c1cccc(C(F)(F)F)c1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 105534505 RJSHUYITGANSBX-OAHLLOKOSA-N 441.862 4.631 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(O)cc2)cc1C 169965307 OTPAZVLBTNTNHT-JOCHJYFZSA-N 439.471 4.668 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 170058299 CDYCGGPONGDWTA-HKUYNNGSSA-N 432.303 4.751 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccc(O)c2)s1 170082844 VRDRTOYBCYWAGA-SFHVURJKSA-N 442.443 4.527 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(C)o2)c1 170099823 ZRDNTOLYDHGJIC-HSZRJFAPSA-N 446.503 4.836 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170237482 VJZGPFNXOTZLEL-QFIPXVFZSA-N 449.503 4.991 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170268492 ZBROWPJUZRQPDE-HSZRJFAPSA-N 433.504 4.541 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(F)cc1 170271281 ODIQDLAQJXJCIG-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE Nn1c(N/N=C(\c2ccccc2)c2cccs2)nnc1SCc1ccccc1Cl 253578989 ZAUOCDWPAFLKEM-PTGBLXJZSA-N 440.985 4.864 30 10 IJEE C[C@@H]1CC[N@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@@+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 253685898 NHIMKJGHMGZYFT-UFDDTGEXSA-N 434.624 4.692 30 10 IJEE COc1cccc(NC(=S)NN=C2C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c1 254295285 UKVKYQSEFNBQFK-UHFFFAOYSA-N 444.560 4.550 30 10 IJEE CCCCCCCn1c(NN=C(C)c2cccc3ccccc23)nc2c1c(=O)nc(O)n2C 254835639 IAQQMECLKGGDJB-UHFFFAOYSA-N 446.555 4.795 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@]2(CCOC2)O1 431901814 KCIUZOKQMZWYCS-RDPSFJRHSA-N 439.943 4.797 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC2(CCC2)C[C@@H]1C 460568512 WHYHGTUTIFUTAH-SFHVURJKSA-N 432.572 4.581 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(OCc3cccc(C#N)c3)c(F)c1)CC2 475603390 SJIBDMHDVYLEPA-SFHVURJKSA-N 432.499 4.866 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N\n1cnnc1SCc1ccc(C(C)(C)C)cc1 526805291 IEOXBAUTAJATHH-MXAYSNPKSA-N 440.569 4.776 30 10 IJEE COC(=O)c1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)ccc3C#N)co2)cc1 541074792 IRFPHGWJKKHYBY-UHFFFAOYSA-N 441.896 4.525 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 549290754 RIMXLLVVBGMZHF-UHFFFAOYSA-N 449.986 4.707 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 549604304 ZDCHJBJVLWFOIL-VSDWSMLSSA-N 434.515 4.636 30 10 IJEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 549697822 UHHKGLPSJHDOHN-IBGZPJMESA-N 429.446 4.513 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 555253412 CVGKYGYUHBXVFJ-UHFFFAOYSA-N 449.355 4.751 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 558989029 HRQZBJLQIQCJQX-UHFFFAOYSA-N 444.505 4.810 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1cc(C)cc(C)c1 586278663 GLEZQDRYPCUPPQ-UHFFFAOYSA-N 434.517 4.528 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1cccs1 586506918 RTLVPKMVUBFHPA-UHFFFAOYSA-N 434.366 4.501 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@]3(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698816604 QPFKQSOSCFMUGV-BNRPETMVSA-N 431.577 4.704 30 10 IJEE C=CCCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1 736526426 PMCLSQLYEMDXDK-UHFFFAOYSA-N 432.973 4.760 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCCN(c4ccccc4C#N)CC3)c2)s1 740059067 FCWRDVSLHUBVNR-UHFFFAOYSA-N 441.560 4.580 30 10 IJEE COc1ccc(NC(=O)[C@@H](OC(=O)Cc2cccc(C#N)c2)c2ccccc2)cc1Cl 750432507 FLADFOBKNRIUPW-QHCPKHFHSA-N 434.879 4.686 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(-c3ccc(CCC)cc3)cc2)n1 788611181 NPKOFQNDGPXPOL-UHFFFAOYSA-N 430.552 4.816 30 10 IJEE C#CCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)[C@@H]1CCOc2ccc(Br)cc21 796441364 BYAAHYNOVFOOKU-DVOMOZLQSA-N 430.264 4.713 30 10 IJEE COc1cccc(/C(O)=C(/C(=S)Nc2ccc(C#N)c(Cl)c2)[n+]2ccc(C)cc2)n1 811724534 NRTJQNRSBLVXSL-UHFFFAOYSA-O 437.932 4.535 30 10 IJEE CC(=NNc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc2c(c1)OCO2 1084261816 AZOLEQQUDZWUGD-UHFFFAOYSA-N 436.324 4.969 30 10 IJEE C=CCc1cc(CNC(=O)c2ccccc2-c2ccccc2C(=O)OC)cc(OC)c1OC 1125478558 NQSFKDGBQKQWBN-UHFFFAOYSA-N 445.515 4.816 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)c2)cc1 1132856774 CXAGUWWORUFURD-SANMLTNESA-N 438.527 4.556 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1OC 1154571322 HQLMMNJWMDEHER-XPUAEESYSA-N 431.891 4.666 30 10 IJEE C#Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 1158766952 AYPKZTQSBCSOKN-UHFFFAOYSA-N 432.545 4.955 30 10 IJEE C=CC1(CC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CN(C(=O)OC(C)(C)C)C1 1159309411 UTMHFFUHALVHAS-GOSISDBHSA-N 437.005 4.846 30 10 IJEE C=CC[C@H]1CCCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)C1 1171848064 XCRPKPXTUNMFKU-INIZCTEOSA-N 430.346 4.863 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)[C@@H]1CCc2ccccc2C1 1186574779 CZNLEWBWXXOFPE-XMMPIXPASA-N 434.536 4.900 30 10 IJEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H](C)c1ccccc1Oc1cccc(Cl)c1 1194232565 AADOMEYEZJDLFR-DLBZAZTESA-N 435.977 4.851 30 10 IJEE CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 1206039473 CPJWPUNISUCYHB-LJQANCHMSA-N 435.959 4.743 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)Oc1cccc(OC)c1 1206195182 XZGUQLRXVBKJCJ-AWEZNQCLSA-N 435.318 4.612 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@@H](CO)CC(F)(F)F)cc1 1206442471 GOWRGDQUQXQKMZ-CQSZACIVSA-N 429.851 4.798 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 1215510151 KVOCSENRYSOICR-LJQANCHMSA-N 439.487 4.994 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CCCO)Cc3ccc(Cl)c(Cl)c3)cc2n1 1220157660 RKNKESJERWMKAP-UHFFFAOYSA-N 433.339 4.946 30 10 IJEE Cc1ccc(-c2cccc(CNC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c2)cc1 1230414708 ICMAGJQQUZRURS-UHFFFAOYSA-N 438.575 4.998 30 10 IJEE C#C[C@H](NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1230504414 JJYCQPMQJMAPGW-NRFANRHFSA-N 434.342 4.724 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(CCOC)CCC1 1286437132 ADDVQFYVKQCFKM-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)c1ccccc1 1286438743 CURAXTXIPNJQRL-MRXNPFEDSA-N 445.386 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1-n1nc(C)cc1C 1286578679 HXCAXUGWVAHMIW-UHFFFAOYSA-N 441.583 4.517 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286705873 JNXNRLDBCCHELH-XLIONFOSSA-N 428.602 4.549 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCC1(C)C 1286743107 ZRFXOKZLUKUFPP-JOCHJYFZSA-N 429.572 4.569 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC(F)(F)C1 1286743453 HRWNZEXEUKYNJI-NZQKXSOJSA-N 446.542 4.558 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)C(C)C 1286750369 ZAFXZQUSNRTYOX-QHCPKHFHSA-N 446.567 4.808 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1cccs1 1286766434 QHYWTCYLSJCZNP-UHFFFAOYSA-N 439.404 4.518 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(CC(C)C)CC2)C1 1286803954 KLTYIWMCDCQRNM-KRWDZBQOSA-N 448.409 4.643 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1286831187 BAWTUODGRZJZKV-UHFFFAOYSA-N 426.630 4.885 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CC[C@H](F)C2)cc1OC 1296750718 IFLVSPPEUDDYDJ-WVMBUTMQSA-N 441.551 4.621 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)cc1F 1300282342 HLBRLNSIQWWUGP-JKSUJKDBSA-N 438.572 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)c1nc(C)cs1 1300287095 UBPVWKDCEQFJPZ-HIFRSBDPSA-N 429.977 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1300316722 CCXJEOGEOYISCA-GOSISDBHSA-N 437.588 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1300330439 YYHWSGOGXBFOIE-WFZYTRFKSA-N 436.600 4.587 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](OC)C(C)C 1300521464 QGXKSFJANKBVPT-HXUWFJFHSA-N 436.556 4.557 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@H](SCC)C1 1300754747 HAVUJDVZZBVHRJ-SFHVURJKSA-N 439.654 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1ccc(C)cc1OCCOCC 1300802793 WPTOQZAGYGAFJO-AREMUKBSSA-N 436.600 4.700 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCN1CC 1300816324 MCUWUALYLLWHCE-AJTFRIOCSA-N 449.643 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(N(C)C)nc1 1300900895 JMSHZVZHNOZJMV-UHFFFAOYSA-N 430.600 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CSCCS1 1300919115 VQFABECKTQIWMJ-GOSISDBHSA-N 427.643 4.601 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1301143263 GTLTTWNDDKXYAP-SFHVURJKSA-N 440.548 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301144007 SLIOOWVPPNREKF-WBVHZDCISA-N 436.959 4.580 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)s1 1301180566 ASTAICPKZBIVRT-UHFFFAOYSA-N 433.002 4.512 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1Cc1ccc(NC(C)=O)nc1 1301350220 TXPYSVAHXLBUCJ-KRWDZBQOSA-N 436.535 4.525 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCc1csc(C)n1 1301365372 MWQNIPACDMXYAL-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1Cc2ccccc2C1)C(C)C 1301366803 IJSPIKVXEKTEDX-ZEQRLZLVSA-N 435.616 4.739 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCCC[C@H](SC)C1 1301468680 JSRMSFASDCBIMM-KRWDZBQOSA-N 437.407 4.528 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1301602318 OIIVZMOVIVMJQQ-GOSISDBHSA-N 430.618 4.754 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1301611163 HURAOLGHRGZNOY-QHCPKHFHSA-N 449.064 4.623 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@](C)(O)c1ccco1 1303065291 AFQQGWYFAHFRKZ-VWLOTQADSA-N 446.555 4.693 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1CCN(CC(F)(F)F)CC1 1305379379 FGKYESSYQDPOLE-QGZVFWFLSA-N 448.537 4.574 30 10 IJEE C=C(CC)CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl 1306857088 BORKBNJQVYTAGY-UHFFFAOYSA-N 427.353 4.799 30 10 IJEE C=CCn1c(SCO[C@H]2CCCOC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1307236786 MTRKIPZYBSDHPJ-KRWDZBQOSA-N 428.579 4.865 30 10 IJEE CC(=O)N(c1ccc(F)cc1)c1nc(CNc2cnn(Cc3ccc(C#N)cc3)c2)cs1 1308497240 WATQVLCGBUDTIK-UHFFFAOYSA-N 446.511 4.695 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)c1ccccc1 1309810695 RHIPYOIYYHYDMN-QGZVFWFLSA-N 425.909 4.642 30 10 IJEE C[S@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 1310171175 AUZCUSDEELVUKS-UZXAJXEFSA-N 431.945 4.815 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F)c1ccccc1 1312678557 LMXOAAAGWOAKJO-UXHICEINSA-N 437.893 4.939 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CCC(F)(F)CC2)c1 1315559332 BNUNRIVDXNWJTF-QFIPXVFZSA-N 429.515 4.909 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CCCN(c3ccccc3F)CC2)c1=S 1336689001 JQRIQEIOLJXMIQ-UHFFFAOYSA-N 441.551 4.715 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1N1CCCC1=O 1352318083 MCNLEHGEGWISAM-UHFFFAOYSA-N 431.305 4.543 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CCC 1358912796 YSRHUSJEPUHVHF-PMACEKPBSA-N 431.625 4.821 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1358944586 ZIRVDOXORGUCKJ-IRXDYDNUSA-N 436.478 4.715 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@@H](c1ccco1)N1CCCCC1 1358990655 WKPNMVNTPXFJGY-DEOSSOPVSA-N 441.579 4.537 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1CCC(F)(F)CC1 1358997678 APVGSFOLNPOILC-UHFFFAOYSA-N 440.538 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)c1nccs1 1359003848 ZKLYFBWMBKQTNY-JKSUJKDBSA-N 425.627 4.851 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1359013597 FIZXYPHCAPRVFL-QGZVFWFLSA-N 449.624 4.563 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1OCCC1(C)C 1359064438 SIZFPNGWJNUZIK-RQNQAMLKSA-N 436.600 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](OC)[C@@H](C)CC 1359069679 UGNZAWUKBMZPSL-QRJOEMBSSA-N 433.556 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1359090395 ARDUSXHWZYQNHV-GVQIKBDFSA-N 442.579 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1359111698 JXCJYRXGZNRHJP-NZQKXSOJSA-N 433.556 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1359116757 XQMFGXZMETXPIL-IBGZPJMESA-N 432.515 4.704 30 10 IJEE C=C(C)COCCn1c(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)nnc1C(C)(C)C 1359136206 CGUKGTAHBHTHNY-UHFFFAOYSA-N 449.599 4.952 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2CCC(OC)CC2)CC1 1359180777 RYCSDHNELJIZLT-UHFFFAOYSA-N 438.616 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1CSC 1359184827 BJQPMZBDXOYSTE-SFHVURJKSA-N 430.618 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCC2CC2)C1 1359184883 DMYMFGDAIVYOEA-IBGZPJMESA-N 429.996 4.991 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccnc1OCCC 1359234136 FNRURVOMSHJRMK-UHFFFAOYSA-N 448.390 4.623 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@H]1C)C1CC1 1359254467 SIHPFIBWSJRWOY-HCXYKTFWSA-N 429.609 4.640 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCO[C@H](C)C1 1359279197 WYQANQMZRUKYPO-OTWHNJEPSA-N 444.645 4.585 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1360369427 KHLROALJNZWDPF-GCJKJVERSA-N 442.918 4.818 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccccc1 1360378724 YYGCZBOMJMTNAU-FYYLOGMGSA-N 427.566 4.718 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc3ccn(CCN(C)C)c3c2)s1 1360619939 HGJYJBINNABLKA-UHFFFAOYSA-N 449.045 4.994 30 10 IJEE C=CCc1cc(C(=O)Nc2nccc3cc(Br)ccc23)cc(OC)c1OC 1436534904 SCWSKVIUQAMDMS-UHFFFAOYSA-N 427.298 4.995 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C1(Cc2ccccc2)CCOCC1 1436641085 AEMLALMZNCMJFC-UHFFFAOYSA-N 430.342 4.992 30 10 IJEE C=C[C@H](OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)c1ccccc1 1437644339 NIMAMEIBFOXOGJ-KOSHJBKYSA-N 433.529 4.911 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 1441890968 LRVVMKQAJDHGIA-IBGZPJMESA-N 435.528 4.584 30 10 IJEE C=CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CCCCC1 1449608560 NPGUZHMBZVQJDJ-UHFFFAOYSA-N 430.545 4.944 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(c3c(Br)cccc3C#N)C2)C1 1458385248 HWWKLOROFWVNQS-DLBZAZTESA-N 434.378 4.794 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H](c3cccc(F)c3)OCC2(C)C)cc1OC 1461604181 FPNYYVKKBPZVLU-GCFNWXKCSA-N 425.500 4.791 30 10 IJEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1 1463644448 RGWZDGZHDVIXET-UHFFFAOYSA-N 427.522 4.685 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)c2ccc(Cn3cc(Br)cn3)s2)cc1 1464634178 BQWWABUBNGRXKV-UHFFFAOYSA-N 429.343 4.624 30 10 IJEE C=CCC[C@@H](NC(=O)NCCn1ccc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1 1469491861 QJZFIVLJLXRCKK-OAHLLOKOSA-N 434.384 4.927 30 10 IJEE N#Cc1cccc(OCCN(Cc2ccccn2)Cc2ccc(Br)cc2F)c1 1473503129 GBHARLZODYGVKE-UHFFFAOYSA-N 440.316 4.936 30 10 IJEE C[C@@](CO)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CCCCC1 1476094839 DVWXKOJSIPLAJD-DEOSSOPVSA-N 425.504 4.729 30 10 IJEE C#CCN(C(=O)Nc1ccccc1Oc1cccc(I)c1)C(C)C 1477019108 GFOINLPKHBYGCC-UHFFFAOYSA-N 434.277 4.959 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1ccc(Br)cc1 1478491454 CRVZAJCHNDJXKC-PCCBWWKXSA-N 441.369 4.807 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 1478906897 MKGBWSJRMBGLJU-XZOQPEGZSA-N 436.552 4.963 30 10 IJEE CS[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1)C(C)(C)C 1505177892 CWXJDRWWFVEQFJ-CVDCTZTESA-N 429.609 4.916 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507659515 AKORHZRTIBSUAJ-NOZRDPDXSA-N 445.655 4.793 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CCCO1 1507813988 IBAQCHMWFYPZMA-GOSISDBHSA-N 425.396 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507815406 BAEOWRNCVPDUIZ-WFXMLNOXSA-N 444.542 4.701 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 1507825526 YDJAUFCIYGIUNW-GFCCVEGCSA-N 429.284 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1507913323 XSGIVXQZVWNHAB-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCCc1nnc(C)s1 1508005724 ZTSKVJQIDULNHR-HXUWFJFHSA-N 438.601 4.505 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCC1(C)C 1508018756 YYFTYNVOEDCUAL-LJQANCHMSA-N 446.599 4.680 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C 1508024035 FIBHWZCXMLNFRD-UHFFFAOYSA-N 431.581 4.533 30 10 IJEE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](CN(C)CCC)C1 1508050861 BZKZYTAJGMNYOU-QFIPXVFZSA-N 432.616 4.707 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1508147414 KDUXHXRPQJNEJL-CALCHBBNSA-N 427.618 4.549 30 10 IJEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)C1 1514057505 FONQVKAMLMDNMA-INIZCTEOSA-N 435.601 4.640 30 10 IJEE C=CCN(C(=O)COc1cc(C)c(Cl)c(C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1516155600 KLGHZJRTIUZLHZ-OAQYLSRUSA-N 429.944 4.525 30 10 IJEE C=C(C)[C@H](NC(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21)c1ccc(F)c(F)c1 1517412267 VTTNGLZILFJHEU-UGSOOPFHSA-N 435.268 4.587 30 10 IJEE C=CCOc1ccc(CN(C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)C(C)(C)C)cc1 1517424498 BPRIUDHVAVGVAY-LJQANCHMSA-N 436.552 4.583 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1522905169 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1690238977 PWWSYYWGJJDXPZ-LPHOPBHVSA-N 429.977 4.673 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1690301846 ZKWYKMACQLSYEF-NRFANRHFSA-N 432.996 4.598 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](c2ccco2)C1 1690319021 AEBWGJGKNZJQMR-OAQYLSRUSA-N 436.556 4.654 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CC)C1)c1ccccc1 1690442189 OATXBKYRTTVPDV-RBBKRZOGSA-N 444.583 4.912 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1C(C)(C)C)c1ccccc1 1690446771 FQLJMXJLYOQBLD-FCHUYYIVSA-N 435.616 4.527 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCc1nnc(C)s1 1690534814 MNTQACRDOWVFSK-UHFFFAOYSA-N 435.022 4.639 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(C)COCCO1 1690585479 MIUKDKHYUDLARJ-JOCHJYFZSA-N 444.988 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(-c2ccsc2)nc1 1690591656 SHIYMGUJGROBMN-UHFFFAOYSA-N 428.565 4.999 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1690598810 AIBWWDVGUDFHGF-ZJSXRUAMSA-N 449.624 4.980 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(C)CCCS1 1690611474 NJLBIFDXMCKRLE-QHCPKHFHSA-N 426.630 4.673 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2cc(C)ccc21 1690735721 HAVVTUWCLLZOHH-UHFFFAOYSA-N 444.402 4.958 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1690737866 ZXUAAEWLASDUSN-ROUUACIJSA-N 430.618 4.896 30 10 IJEE Cc1ccc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)s1 1693085055 BGILEHLKPRHJOF-UHFFFAOYSA-N 448.596 4.696 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC2CCCCCC2)[C@H]1C 1693727158 HOTJRBNSIKAWTJ-PMACEKPBSA-N 437.588 4.703 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N)OC 1693952663 CKHUEIYKSHTQTF-AOIWGVFYSA-N 429.634 4.932 30 10 IJEE CO[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cccc(C#N)c1 1697110270 GYJOXGFHRHLTSE-IAGOWNOFSA-N 435.597 4.674 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CC=CCC1 1705510975 DKZJLJOGJSLUMU-QGZVFWFLSA-N 430.394 4.642 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1705523161 LRTXDYUWBVHKKH-GURQWTFNSA-N 429.609 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC=C(c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1705802546 OGYLGIPODPCJFT-AREMUKBSSA-N 436.600 4.826 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(Cc2csc(C)n2)CC1 1705803428 QHVJNSCOTDCDDM-UHFFFAOYSA-N 436.629 4.697 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(SC)CCOCC1 1705834850 UFROBCXCKQVLLQ-INIZCTEOSA-N 437.009 4.606 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc([C@@H](C)O)cc1 1705866272 LSFGGPWCYVZIHG-NQIIRXRSSA-N 438.597 4.528 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(C)(F)F)C1 1705920202 SNSCCBBJQAYHIF-LBPRGKRZSA-N 447.349 4.596 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H](C)CC#N 1709643078 CDKWFBHZYSBIGS-GMAHTHKFSA-N 447.631 4.674 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCCC[C@H](COC)C1 1722322498 MLXXJQVIZCIVHM-NRFANRHFSA-N 426.630 4.935 30 10 IJEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1C[C@@H](F)c1ccc(Br)cc1 1722389859 MZQOHOIIEQNWCQ-GOSISDBHSA-N 431.353 4.512 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(OC)CCOC1 1722506613 UMAKIYXNIVCBSA-AREMUKBSSA-N 449.599 4.561 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1722538936 AWZPYTOQALJNMZ-SFHVURJKSA-N 425.577 4.562 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C(C)C)C(C)C)CC1 1722561698 WHCQZAKDDUDEHL-UHFFFAOYSA-N 446.437 4.983 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)NC)CC1 1722586324 YAIHQWARXXMTPX-UHFFFAOYSA-N 437.632 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722592741 ZYJAUIZZPCZYPI-DYESRHJHSA-N 434.415 4.886 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](c3cccc(F)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722609870 HREJKWJDKCDLEC-BWKNWUBXSA-N 442.579 4.808 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC=C(C)C1 1722626479 FBTBJBXNDYGBMK-UHFFFAOYSA-N 437.371 4.913 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1722643619 UFZFKJBSXHRVCW-MRXNPFEDSA-N 437.613 4.726 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1722687494 GERYYAYYIHBLHG-JOCHJYFZSA-N 437.632 4.567 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)N(C)C 1723761666 FWRWOTUPNHDXNO-FXAWDEMLSA-N 446.580 4.972 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1740565821 IUGUMAVMMPSFFN-UHFFFAOYSA-N 435.355 4.665 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C)(COC)CC1 1740567655 NBSYSTIMMKLUEB-LJQANCHMSA-N 428.552 4.614 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](CN(C)CCC)C1 1740582850 RZQXEBJMOGGSHH-WOJBJXKFSA-N 439.673 4.713 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC12CCC(CC1)C2 1740650526 DGQFBEUSEOEZEM-UHFFFAOYSA-N 446.595 4.786 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](OC)C(C)C 1740726965 VCVJYBSTZQLMHA-YIGJPRQDSA-N 426.630 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CC1(CCOC)CCC1 1740727986 IAGVNCBHMWFJBZ-JOCHJYFZSA-N 430.955 4.937 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740780073 TXYZZWPKWVGHAE-QZTJIDSGSA-N 445.405 4.927 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1740866189 YYPIQKLVWAZRCT-WIYYLYMNSA-N 448.970 4.899 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(O)C1CCCCC1 1740894431 UEHGNFXRCJPYKU-NRFANRHFSA-N 433.394 4.661 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCSC2)C1 1740974040 BEGVWKBACIZQOR-GOEBONIOSA-N 439.412 4.786 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C(C)C)N1CCCC1 1748654486 IRXDZKWSNQAAQD-OXQOHEQNSA-N 434.415 4.830 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@H](CC)C1 1748706187 CKKUMWOTFNCGLB-HXUWFJFHSA-N 442.629 4.876 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)C[C@H](C)C1 1748735611 RTJXSWIIOMPJIQ-HOTGVXAUSA-N 431.378 4.612 30 10 IJEE C=C(C)COCCn1c(N2CCC(CCN3CCCC[C@H]3C)CC2)nnc1C(C)(C)C 1749239623 NFSLTNKSJWAEOC-OAQYLSRUSA-N 431.669 4.649 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1749331124 VLTHESQWDQZYCJ-SJLPKXTDSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1749336069 XIVKDIZXKXQYIU-SFTDATJTSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(c2ccnn2C)CC1 1749373198 HDSYUKRBLCNVRG-UHFFFAOYSA-N 448.615 4.619 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](CN2CCCCC2)C1 1749413167 RTQQHUPYBPUBNK-LEWJYISDSA-N 441.595 4.836 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749414541 GKECLLAWOVYBSG-LJQANCHMSA-N 435.572 4.789 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749415466 QNTQQWLRCFQTSE-QGZVFWFLSA-N 449.624 4.833 30 10 IJEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC=C(Br)C1 1749434317 NXPCDMXIRFUQPR-UHFFFAOYSA-N 426.362 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1760124319 RFMAASOLCULAKY-YESZJQIVSA-N 436.478 4.617 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1760298445 IHBNILGAWMJIBU-WHSBFGAESA-N 436.600 4.753 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@](C)(O)C(C)C)CC1 1760392515 SSWGKYKNOKZQSV-NRFANRHFSA-N 439.387 4.727 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2Cc2oc(CCC)nc2C)CC1 1760393088 HTZILZCGVQLZDO-UHFFFAOYSA-N 435.572 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1760410578 JRFMRIVSNYPQBT-UHFFFAOYSA-N 438.620 4.902 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1760468327 PQMHIDBFZRYZHP-IBGZPJMESA-N 434.053 4.966 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCc1cc(C(F)(F)F)ccn1 1760492153 HXFWDOUJOPVPPG-UHFFFAOYSA-N 438.457 4.652 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1760496475 WFQNZQDRJKROJG-IAGOWNOFSA-N 435.597 4.745 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC(Cn3cccn3)CC2)cc1 1760529613 CXATWTCTZVPHMB-HXUWFJFHSA-N 434.588 4.518 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@H](C)SC)C1 1760539882 XKCMOMMNTDWUNC-XYJFISCASA-N 432.659 4.664 30 10 IJEE Cc1csc([C@@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CC#N)n1 1762213642 AADIUXBDDBGJLP-DOTOQJQBSA-N 433.585 4.657 30 10 IJEE CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CC#N)CC1)Oc1ccccc1F 1762366465 AFXMDDGOTPHHNW-LJQANCHMSA-N 427.568 4.993 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCO[C@H](C)C2)C1 1762462141 GFTZGVLWTCGJGC-OHUGHZGNSA-N 437.588 4.560 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1C#N 1859742236 XRVLUTNTDCVMCU-UHFFFAOYSA-N 448.262 4.779 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(c3ccc(OC(=O)Cc4ccccc4F)cc3)CC2)c1 1860706634 GBVDZFXMBMLCST-UHFFFAOYSA-N 442.490 4.865 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 1862418610 KBAGNRRJARFPSX-FQEVSTJZSA-N 442.418 4.784 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(C)(C)C)cc1 1862435534 YAKAKCSXTTWIDJ-VLIAUNLRSA-N 427.928 4.597 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOCC)c1 1862479479 IFWVDDNWNCQNCQ-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCC)cc1 1862493522 RPOCPOCFMLIDNV-HSZRJFAPSA-N 437.536 4.707 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862510594 FNYOGIWVKRRTHB-NRFANRHFSA-N 439.483 4.689 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 1862524995 RVEIHLHQYMKGQF-SFHVURJKSA-N 432.289 4.823 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862559014 FWQWEHNLLAUHES-HSZRJFAPSA-N 446.478 4.585 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cc(Br)ccc1F 1862567415 RURZNCHOIBQLRW-BBATYDOGSA-N 447.304 4.547 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1F 1862597285 YFFOAQSXOQWOOM-WHIIXXIBSA-N 427.447 4.827 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862600201 KSEVCVXHWRZGGP-QHCPKHFHSA-N 447.487 4.943 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Br)c1 1862600607 WWNBVVMMWQUYQR-XIKOKIGWSA-N 430.298 4.532 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862680455 CAWSOMKQQNZLDB-LJQANCHMSA-N 447.890 4.962 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(F)cccc1Cl 1862736930 BMXSONPORYSGJG-ADLMAVQZSA-N 432.835 4.764 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863486141 WBOYHENXFSQMTL-OAHLLOKOSA-N 429.501 4.582 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccc(F)cc2)n1 1867984894 QCIZATUHALMDQH-UHFFFAOYSA-N 429.543 4.788 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCc3ccc([N+](=O)[O-])cc32)nc(-c2cccnc2)n1 1868572146 GHSWOSDCDCFHQH-UHFFFAOYSA-N 435.447 4.756 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C2=Cc3ccccc3OC2)cc1 1870162159 NLOFXJHGPCCXBR-UHFFFAOYSA-N 443.507 4.513 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccc(OC)cc2)cn1CCCC 1870594046 VVXLXPKLRCKTFZ-UHFFFAOYSA-N 440.584 4.679 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1ccc(Cl)c(C)c1 1870844800 UFSWZGVFBSWJFI-UHFFFAOYSA-N 432.948 4.720 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(Br)c1 1871252360 XAHUUPLHFBIWBW-UHFFFAOYSA-N 438.325 4.693 30 10 IJEE CCn1cc(/C=C2\Oc3cc(OC(=O)c4cnccn4)cc(C)c3C2=O)c2ccccc21 1871370101 PLLQOOKGCARLCU-JJFYIABZSA-N 425.444 4.595 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450934 VUZIJEVJVZQYCC-ZDXHCBJDSA-N 448.406 4.756 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N(CC)CCO)n1 1871568632 ZQEKZLSECIKCKM-UHFFFAOYSA-N 435.016 4.590 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)CCCC 1871798219 NUSUSGMHCUTAQV-LJQANCHMSA-N 447.066 4.717 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872531919 ZTEZGAJCTKCDAG-OAQYLSRUSA-N 444.597 4.523 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872770187 MRYJEOGBKIGZDG-JRGCBEDISA-N 429.545 4.905 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(Cl)cc1 1874264274 PERJSHDKVDTVKV-WSDLNYQXSA-N 437.352 4.521 30 10 IJEE CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1cc(Br)ccc1F 1874318933 QZCZUAGUGGJZDC-LSHDLFTRSA-N 449.349 4.980 30 10 IJEE Fc1ccccc1CSc1nnc(COCc2ccccc2)n1/N=C/c1ccncc1 1874355064 AETZVSOVCIAWSG-VULFUBBASA-N 433.512 4.704 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCCc3ccccc3)nnc2-c2ccco2)cc1 1874467178 VRLBOUSAIZMDBW-LFVJCYFKSA-N 432.505 4.542 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCC(=O)N(CC)CC)cc1 1874475597 IQWYAHGOLFXLFO-JJIBRWJFSA-N 445.633 4.642 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(O)cc1 1874482205 ZLVTVSUMMBUJDU-ZMOGYAJESA-N 437.569 4.511 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(F)c2)c1 1874489255 IIVUPXCOAMLWJN-DHRITJCHSA-N 439.560 4.846 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cn(C)c3ccccc23)o1 1874495582 TTZZWFLVXGKFIM-WYMPLXKRSA-N 449.536 4.591 30 10 IJEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(SCCO)nnc2C2CCC2)cc1 1874498870 UMZWBXAYIROPRL-KOEQRZSOSA-N 435.597 4.539 30 10 IJEE COc1cc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C2CC2)cc(OC)c1O 1874519776 LGIARUNJEUZZTP-WYMPLXKRSA-N 438.553 4.670 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OCC(=O)NCCC 1874612652 GERGNCDQEZJZNG-JXMROGBWSA-N 429.463 4.503 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 1875114993 HKZBABGORGJFCN-NYYWCZLTSA-N 446.455 4.938 30 10 IJEE COc1cccc(CCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1 1875149690 BWCXWPCZMUAAME-KPKJPENVSA-N 430.456 4.858 30 10 IJEE CC1CCC(C#N)(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1 1902371057 CGMKNYQLWMHFBK-UHFFFAOYSA-N 443.547 4.646 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](O)c1cc(Br)c(Cl)s1 1922087023 VQDGKLUUAGLRGN-DLBZAZTESA-N 430.795 4.949 30 10 IJEE C[C@]1(Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OCc2ccccc2)C1 1999973099 ZNQMQTPFWZAUIJ-FQEVSTJZSA-N 432.293 4.673 30 10 IJEE CC1(C)OB(C2=CCC[C@H]2NC(=O)c2cscc2OCc2ccccc2)OC1(C)C 2020062070 NLKYIWGTDSBCSQ-LJQANCHMSA-N 425.359 4.777 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CCC12CCC2 2057365611 ITNGVXYUEKWLQP-UUOWRZLLSA-N 449.592 4.618 30 10 IJEE CC[C@@H](c1ccc(C)cc1F)n1nc(C2(C)CC2)c(/C=N/O)c1I 2079102768 VJZYQEBHFCMKTK-LKKXKRCMSA-N 441.288 4.794 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@]1(C)COCCN1C(=O)OC(C)(C)C 2081189074 XVVDDPMKHLEXFB-DVECYGJZSA-N 445.560 4.655 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)CO2 2081984506 IVTUSQQBNPEFEP-ZEQRLZLVSA-N 449.592 4.618 30 10 IJEE N#CC1(c2cccc(C(=O)OCc3ccc(I)cc3Cl)c2)CC1 2087919902 PIHUZMWTWXXZCI-UHFFFAOYSA-N 437.664 4.857 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2124450071 VYRUQENATKWVGX-IRXDYDNUSA-N 429.399 4.773 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2140575626 RPGQRKMGDWKSFW-IAGOWNOFSA-N 429.399 4.773 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2163696915 BSOOEUNNAUBPHH-UTKZUKDTSA-N 428.349 4.951 30 10 IJEE CC1(C)C[C@H](CC(=O)Nc2ccc(C#N)cc2Br)N(C(=O)OC(C)(C)C)C1 2181107982 NSPIQPNPWHDQCC-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE C[C@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(Br)cc2C#N)CN1C(=O)OC(C)(C)C 2181114480 LEGWBBGCPMZFRJ-WWGRRREGSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(Nc2ccc(C#N)c(Br)c2F)C[C@H]2CC[C@H]1C2 2188303272 AHDRGTAXLHZLBV-SIFORAMQSA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCC(=O)Nc2cc(Br)ccc2C#N)C1 2203259485 RGJZEVFASVMIDH-BBRMVZONSA-N 436.350 4.733 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)CC(C)C 2210263897 BRNUIKRIUCCTHJ-DFBJGRDBSA-N 447.579 4.948 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)C#Cc2ccccc2Br)C12CCCC2 2235742541 YFBHWCOOUMZWKC-HKUYNNGSSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccc(C)cc1)c1cc(I)ccc1Br 2239623247 VASPSTLJAAOVOY-QGZVFWFLSA-N 440.122 4.674 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)([C@@H](N)C#CC2CCCCC2)C1 2251402162 TUQBXOJPEFRLNA-OZXSUGGESA-N 426.601 4.741 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267573555 KRCLGLNXWXRQII-MSOLQXFVSA-N 442.365 4.795 30 10 IJEE C=CC[C@@]1(COc2ncc(Br)c(C)c2N)CCCCN1C(=O)OC(C)(C)C 2287840833 OKUCCMONSMNNMP-FQEVSTJZSA-N 440.382 4.849 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@H](O)C#Cc2ccc(Br)cc2)C12CCC2 2296285803 FIANTHHDBWVDSY-BHIYHBOVSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](O)(C#Cc2ccc(Br)cc2)C[C@@H]1C1CCC1 2296286901 PXUJEKKBZRFXPM-KNQAVFIVSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@@H]1[C@H](N)C#Cc1ccc(Br)cc1 2296301694 YCTYGNUTJLOHST-MOPGFXCFSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2F)CCOCC1 2318922944 KRXFMUMJNDXJMH-SFHVURJKSA-N 449.523 4.533 30 10 IJEE Oc1ccc(Br)cc1C=Nn1c(SCc2ccccc2)nnc1C1CC1 2320851428 ODRIEOMCKDOOOW-UHFFFAOYSA-N 429.343 4.798 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccccc1Cl)O3)CN(CCCn1ccnc1)CO2 2322106941 HCCWCEZZUDPWBK-UHFFFAOYSA-N 435.911 4.703 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1 2322267153 SLKZRDXVGMDUHZ-UHFFFAOYSA-N 433.493 4.522 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)cc(OC)c2OCC(=O)OC)c1 2322860592 ZBMBRGPMACXMTR-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COc1cc(C(=O)C=Cc2ccccc2OCC(=O)OCC(C)C)c(OC)cc1Cl 2322864040 PEAUTRBYJMAZRS-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(OC)c(O)c1 2326060674 XREPNGRJKMNJOV-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1cn(C)c2ccccc12 2326763688 HCKONZIPHYJELF-UHFFFAOYSA-N 447.564 4.683 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1cccc(OCC)c1 2328403718 HOKLKTHYDRCTPJ-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE Oc1ccc(C=Nn2c(CCc3ccccc3)nnc2SCCc2ccccc2)cc1 2330199833 HTEAEDYQFMJLDG-UHFFFAOYSA-N 428.561 4.986 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)cc1 2330531508 LORUPSWYAKOVNL-UHFFFAOYSA-N 449.561 4.628 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3ccncc3)c(Br)c2)c1 2330784315 OGBSDXOEPNHAFQ-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccc(OCCC)c1 2330881331 WKUUICVKOREBOQ-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccccc1O 2331320739 ZONKOWQMVOVIOI-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE CCCCOc1ccc(C=Nn2c(CCCC)nnc2SCCCO)cc1OCC 2331346649 BQGBNJSVKIKDSH-UHFFFAOYSA-N 434.606 4.555 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2331396827 GLFKGKIDNIPLIF-UHFFFAOYSA-N 430.456 4.972 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccccc2F)o1 2331512226 PVUNYPNFQAINSR-UHFFFAOYSA-N 428.489 4.629 30 10 IJEE OCCSc1nnc(C2CCC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331545813 IHDRHWRBGLZOSW-UHFFFAOYSA-N 442.972 4.745 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)C=Cc1ccc(Cl)cc1 2332148637 YGLXPTRXXPXXJO-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(COC)c1 2337136243 CROBGRRSIIRELW-QZTJIDSGSA-N 427.383 4.716 30 10 IJEE C[C@@H]1CC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339599208 CMPLISOKRJSKMB-WXVNRZFOSA-N 444.381 4.893 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360943351 GCKROBYIRNVJOC-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)c1 20905359 RMZFZWBMJSRJDR-ZMOGYAJESA-N 430.537 4.752 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 34954441 FJLNSOJWHZAGKI-XYOKQWHBSA-N 433.416 4.727 30 10 IJEE CN1C(=O)/C(=C2\S/C(=N/c3ccncc3Cl)N(c3ccccc3)C2=O)c2ccccc21 39864537 AYVGDYXQKCVTOD-PLEGJZRGSA-N 446.919 4.890 30 10 IJEE C=CCc1ccccc1OCCCCn1c(CNC(=O)c2ccccn2)nc2ccccc21 40184852 IISPNVAMKZGJDQ-UHFFFAOYSA-N 440.547 4.949 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(-c2ccc(OC)cc2OC)n1 63297885 FASOLEXAULFHCP-UHFFFAOYSA-N 425.510 4.924 30 10 IJEE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1/N=C/C1C(=O)CC(C)(C)CC1=O 100772854 LQIPBFZECHDMLF-WYMPLXKRSA-N 427.522 4.877 30 10 IJEE N#CC1(C(=O)Nc2c(Br)cc(Br)cc2Br)CCC1 167162995 CRURSMMKPNCETG-UHFFFAOYSA-N 436.929 4.606 30 10 IJEE COc1cccc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)c1OCc1ccccc1 169913570 ZRRRWGCIKJZYLI-YSMPRRRNSA-N 448.523 4.767 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 169966876 AKXHYQBPNUKBEE-HSZRJFAPSA-N 430.479 4.983 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(C(C)(C)C)cc1 169975578 BWYXJQLKDKWENJ-HSZRJFAPSA-N 445.563 4.605 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(F)cc2)cc1 170062209 KZLFMUCNKVUMGF-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCCC)c2)=C(c2ccc(OCC(C)C)cc2)C1=O 170117772 KWLUTFUKDYZOMG-UHFFFAOYSA-N 434.536 4.888 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1C1CCCCC1 170123754 IEPSOODRENDEOW-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 170153627 NFKNRTJMGHCILR-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OC(C)C)c1 170153659 YGCDBEFCYVBNEY-MWTRTKDXSA-N 435.520 4.786 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)cc1 170162887 FCMLBWWTQQDKHL-OAQYLSRUSA-N 434.517 4.709 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccncc1 170204722 AXHMQGNAFUIDCS-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@@H]1c1ccc(O)c(Cl)c1 170219932 FLPJBBVFCMTBIK-SFHVURJKSA-N 436.291 4.696 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccc2)cc1OC 170228739 CJCPUYBXKVTHGD-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(F)cc1 170237710 VTWCRYGIZOKJMK-OAQYLSRUSA-N 425.500 4.656 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1ccccc1F 170252846 VWALIWIIGUDJTB-NRFANRHFSA-N 427.472 4.611 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@H]1CCCO1 170273781 MEPCBZQGQHEZGP-QPPBQGQZSA-N 427.500 4.906 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)c(Cl)c2)=C(O)C(=O)N1CCCN(C)C 170276088 LQSZOQMIKUIJFB-HXUWFJFHSA-N 447.362 4.832 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)o2)cc1 170301495 DTDOACGPMBOROF-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1ccccc1 170423805 WLFAADCKVNROFN-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 170446433 QOAKYKUAHJCDPW-XMMPIXPASA-N 436.552 4.662 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1nc(-c2ccccc2F)cs1 426901858 XUNNNJLHQYIXRQ-UHFFFAOYSA-N 426.473 4.755 30 10 IJEE CSCc1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1F 473952347 WHHCJNRJUARDSC-AWEZNQCLSA-N 427.526 4.768 30 10 IJEE C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(OCc2ccc(F)cc2)cc1 503050899 GAKRBPUZLSYONW-GKVSMKOHSA-N 440.515 4.844 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(c2ccccc2Br)CC1 508808820 ITJJPBUWFRPXSH-UHFFFAOYSA-N 438.373 4.596 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)c(Cl)c2)cc1 526487510 ZWFUHANLBWIXPA-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2Cc2ccccc2)CC1 549150130 UQNMPXMJWCLMPO-UHFFFAOYSA-N 439.519 4.905 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2nccs2)C1 555261168 NSMWQXVVRQIDEY-MRXNPFEDSA-N 436.368 4.862 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(c2nc(C(=O)OCC)cs2)CC1 559006501 VELYASXFWCOQIL-UHFFFAOYSA-N 437.569 4.538 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)Cc1cnccn1 566392422 LAKMDBOXBXKCIB-UHFFFAOYSA-N 444.514 4.666 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C 586156018 IOJDMSFFFAOMIE-JXFKEZNVSA-N 432.973 4.990 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1ccc(C)cc1 586315767 PLNUFKWEBURTMB-UHFFFAOYSA-N 440.908 4.564 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 669817757 BWHJSCGDMDDZOF-UHFFFAOYSA-N 427.637 4.642 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cncc1Br 687152184 RWTNZJUSESJXEG-WBVHZDCISA-N 430.362 4.883 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(c1ncc(Br)cc1Cl)C2 712703663 CTTYGBOTLJJIFB-STQMWFEESA-N 426.742 4.821 30 10 IJEE C[C@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 736925347 DFKCHLRNNHYLTM-LBPRGKRZSA-N 439.518 4.541 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)n2ccc(=NCC(F)(F)F)cc2)c1 764950445 ADQQEQIHDDWMLE-UHFFFAOYSA-N 431.801 4.957 30 10 IJEE Cc1ccc(C(=O)CCCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 766276720 XBENNKIUHCYUHE-QGZVFWFLSA-N 433.533 4.814 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2ncc(-c3ccccc3)s2)cc1 770567857 XXSGNPNRKWWVGM-PFONDFGASA-N 426.563 4.737 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(OCc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 790234783 OUTHISQBZXZJJX-VWLOTQADSA-N 428.573 4.540 30 10 IJEE C#CCN(C(=O)c1coc(C2CCCC2)n1)[C@@H]1CCOc2ccc(Br)cc21 800889881 UERXOSKSLKTDNC-GOSISDBHSA-N 429.314 4.694 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C#N 917707161 OLKGIEIHIVRTER-JOCHJYFZSA-N 440.528 4.858 30 10 IJEE C=CCN(C(=O)c1coc(-c2cccnc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124352770 MSWUMIBCYHCOSU-UHFFFAOYSA-N 433.449 4.601 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)c1 1125055010 FWNOAJFQVBKVRP-UHFFFAOYSA-N 442.397 4.741 30 10 IJEE C#CC[C@@]1(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1127433584 BLRMYDRYVJGYMO-SANMLTNESA-N 448.519 4.637 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)N(C)CCc3cccc(C#N)c3)c2)cc1 1132732597 FRMLPRGWXWYANE-UHFFFAOYSA-N 440.543 4.974 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)cc2n1 1134070937 HUESSQTXEUJRPI-UHFFFAOYSA-N 425.330 4.837 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 1135762312 FYVHQYBCEUIKFK-QHCPKHFHSA-N 432.911 4.550 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cn(CCOC)nc1C)c1ccc(C)c(C)c1 1136698431 JCBWUNWYZZYXFM-UHFFFAOYSA-N 433.552 4.867 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1140295809 QZHJEUHCFRASEE-UHFFFAOYSA-N 426.545 4.741 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1cc(Br)ccc1C#N 1162731392 BEOSAQSSWGGNTB-UHFFFAOYSA-N 427.327 4.828 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC3(CC2)C(C)=Nc2ccccc23)CCCN1C(=O)OC(C)(C)C 1164355582 FNIKWTKZUXLWNB-SANMLTNESA-N 437.584 4.999 30 10 IJEE C=CCOc1ccc(CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)cc1 1190169984 QFGBKWUHAKBYPR-UHFFFAOYSA-N 432.339 4.646 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OC(C)(C)C 1206777177 FFPVACMPPWXRGO-SECBINFHSA-N 432.336 4.828 30 10 IJEE C[C@H](CCNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)N(C)Cc1ccccc1 1214965190 HPSOUSBHSXZAPQ-LJQANCHMSA-N 429.524 4.778 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 1221986995 YBVYRRCGLGZTFW-UHFFFAOYSA-N 425.476 4.816 30 10 IJEE CCOc1ccc(C[C@@H](C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 1229700498 HXIXBAQIHQPXSR-GOSISDBHSA-N 439.531 4.528 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCc2c(CC(N)=O)cccc2C1)c1ccc(C(F)(F)F)cc1 1230693167 CULRBYMBGAYKPR-OAQYLSRUSA-N 445.485 4.508 30 10 IJEE C#C[C@H](NC(=O)N(C[C@H](O)c1ccc(OC)cc1)[C@H](C)Cc1ccccc1)c1ccccc1 1252458214 IZKGPRIZJDEOLO-AIGMYPEUSA-N 442.559 4.746 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 1268858228 ALTJEXXRPOBOFE-UHFFFAOYSA-N 447.443 4.551 30 10 IJEE C=CC[C@@H]1N(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CCCC1(C)C 1270801414 KLDGCOPITDRMPB-SFTDATJTSA-N 425.573 4.556 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C 1272192358 GGHZRKQDMCVBCJ-JOCHJYFZSA-N 440.588 4.710 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC[C@@H](C)N1CCCCC1 1286454132 GNYMSHAIOWABJH-HXUWFJFHSA-N 425.596 4.619 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCC(F)F 1286497421 RYFFITQUCPKJET-UHFFFAOYSA-N 443.567 4.810 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C)[C@H]1C 1286497432 SDUPFCYNIIFAKR-SJLPKXTDSA-N 437.638 4.978 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCCc1ccccn1 1286558337 NPBGQFRJHRBZHG-ZEQKJWHPSA-N 445.611 4.623 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 1286568058 UVYYUSYYJZGUBW-RCZVLFRGSA-N 449.599 4.582 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC[C@@H](OC)C(F)(F)F)CC1 1286655579 RWOHNZSULDWIGU-HXUWFJFHSA-N 445.489 4.863 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(C)C)c2)CC1 1286662261 CQFJAQCDIWDQSA-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnccn1)c1ccccc1 1286679002 IFRIMWHEUWONAN-NRFANRHFSA-N 430.581 4.717 30 10 IJEE CC(F)(F)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C#N)C1 1288739904 FUPVVFNKBAKFJN-LBPRGKRZSA-N 437.903 4.587 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1nc(C(F)(F)F)cs1 1300293594 QRQBGRJWTSQYAH-LLVKDONJSA-N 425.867 4.580 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1300417200 PPPFDLGHDVNORZ-QPPBQGQZSA-N 447.652 4.833 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1Cc1ccc(-c2ccsc2)nc1 1300571512 FOCJJLXTMZDXDC-UHFFFAOYSA-N 441.535 4.719 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CCSC 1300873418 GBYPZZOAZASADP-AYBZRNKSSA-N 436.025 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2ccccc2F)C1 1300900216 AIKWEHYFSJCBKL-KHCICDEESA-N 428.552 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@@H](C)C1 1300901216 NKSIICKKRQBHDV-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1ccc(Cl)nc1 1301334346 IQNJVARLGPUVTD-UHFFFAOYSA-N 425.964 4.874 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C(F)(F)F 1301410223 AJQPHUPQLWHNMC-GOSISDBHSA-N 446.473 4.677 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3ccnn3C)C2)cc1 1301524390 CFBAYBQLEVRNTO-NRFANRHFSA-N 448.615 4.597 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301529769 PHZCJEOKAJBFQK-CALCHBBNSA-N 427.499 4.614 30 10 IJEE C#CCN(C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656052 PZCNJESOMRBVCC-IRXDYDNUSA-N 430.511 4.607 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C)C(=O)OC 1303686501 JOXZJGBVITYRCR-OAQYLSRUSA-N 434.540 4.615 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1)OC 1305358061 FRFMLAXTMQKMQR-WZONZLPQSA-N 439.604 4.665 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@](C)(C#N)C2)C1 1307030394 BXWJTIHRZDTXHD-SBUREZEXSA-N 444.986 4.600 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1OC 1308566930 YCFUMLYJRWDOEQ-LJQANCHMSA-N 435.351 4.804 30 10 IJEE Cc1ccccc1C(NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1C 1312460135 HADLEPYHXGCVSP-UHFFFAOYSA-N 438.575 4.792 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1314923137 BHVBKPWCUWBKDJ-HOFKKMOUSA-N 448.659 4.704 30 10 IJEE C[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H](C)N1C(=O)OC(C)(C)C 1353555424 CHLKFYPZUAAILX-OALUTQOASA-N 449.551 4.607 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CSCN1C(=O)CCCC)c1ccc(C(F)(F)F)cc1 1357299027 YLYIHGNPPUKPFG-QZTJIDSGSA-N 428.520 4.921 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@@H](C)c1nccs1 1358909102 UHSMVUJKBDAZIU-GOSISDBHSA-N 430.581 4.993 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1358936741 WPTBXCIVRKOPLQ-ISKFKSNPSA-N 448.611 4.709 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)Cc1cccs1 1359002842 OTDYADSQZKCFHJ-SFHVURJKSA-N 430.581 4.735 30 10 IJEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)C1CCCCC1 1359051153 NJDDGGORHVERRR-KRWDZBQOSA-N 427.574 4.625 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(CC)CC)CC1 1359169027 RBFBUYWCFRGGHQ-UHFFFAOYSA-N 441.645 4.684 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cnn(C)c1 1359183844 WAQPJXAOXYKYQG-QGZVFWFLSA-N 426.540 4.529 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CC[C@H]1C2 1359188155 HLQFBRRJFCWICH-ICSRJNTNSA-N 443.636 4.984 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](c2ccco2)C1 1359197513 RIYPOFGMJAKBEJ-QFIPXVFZSA-N 449.555 4.674 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1359232751 CZHKCMODPYRCTH-SFTDATJTSA-N 447.631 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H]1C(=C)C 1359263034 NNLTUNCVYWUPNT-KNQAVFIVSA-N 435.597 4.884 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1oc(CC)nc1C 1359276807 QKAVPIIUYIVFQV-UHFFFAOYSA-N 442.523 4.552 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCCC1(C)C 1359476470 FJVZCPZAUCSSEC-AOMKIAJQSA-N 448.036 4.761 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccccc1OCc1cn2cc(C)ccc2n1 1360567278 VSTAWTXIUSOFLW-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE C#CCOc1ccc(COC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 1435848142 PWKXVVHCDGASBO-CVDCTZTESA-N 443.902 4.533 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)OCc2cc(Br)cc(C#N)c2)c1 1436077489 CXORWNVBDHXBPD-UHFFFAOYSA-N 445.313 4.954 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 1451327997 KSMOWCRHIVXXAT-FQEVSTJZSA-N 438.524 4.544 30 10 IJEE C=CCn1c(SCc2cc(C=O)ccc2OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1458731100 IZVDXQXHRWGIHN-AWEZNQCLSA-N 440.590 4.882 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O 1458736180 TWDWSQQINDKZHN-LUXYFRNMSA-N 434.005 4.657 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1)c1ccc(Cl)cc1F 1460792885 YTDIMKFMPLGMAB-JTSKRJEESA-N 426.919 4.665 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(OC)c1)c1ccc(Br)cc1 1467067395 MXSCKVDILAEYKS-CQSZACIVSA-N 425.229 4.555 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2ccccc2OC1 1478522215 IYLFUZSYOAQGEP-GOSISDBHSA-N 433.321 4.680 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1507590752 GDLIOJVINXCHSS-UHFFFAOYSA-N 438.591 4.986 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(c2cccc(OC)c2)CC1 1507746644 ANTZUFYOAOBTBO-UHFFFAOYSA-N 436.581 4.606 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCCc1nc(C)cs1 1507771003 VTMVNWUROZWOBT-XMMPIXPASA-N 437.588 4.788 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(C)C 1507798487 TZEAUABPZNLIBC-RHSMWYFYSA-N 439.423 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)c1cccs1 1507821637 IGMRKNYUUHJWPD-UHFFFAOYSA-N 443.642 4.711 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cc(C)cs1 1507839448 RIUDEULMZATURT-UHFFFAOYSA-N 448.596 4.934 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(F)cccc2Cl)CC1 1507905204 SFLGIFXKYOTYTG-UHFFFAOYSA-N 431.968 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@@H](COC)C1 1507910872 FHMOLUWYRHFUML-LJQANCHMSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H]1c1nncn1C 1507951186 BWBWLWPIPKHFBR-NRFANRHFSA-N 449.603 4.725 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1507951727 HXJNFCASWIRJQA-HXUWFJFHSA-N 435.597 4.538 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCc1csc(CC)n1 1507970604 LGCRCLUZDCWVLS-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 1507989188 XFIUEOHXRHYLET-YLJYHZDGSA-N 443.389 4.844 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1508047955 UCVBYJRWWFKGAO-UHFFFAOYSA-N 436.629 4.829 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 1509245570 GCOMZFJUPGNTGM-AZUAARDMSA-N 427.643 4.538 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCCCC2)C1 1509405367 DCCBYHVTKNYERQ-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1cccs1)N(C)C 1509947384 AAMJWSLUGUDDDA-FUHWJXTLSA-N 434.569 4.794 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)C(F)(F)F)cc1 1521343425 CYLICWUMANLWLS-NHCUHLMSSA-N 429.438 4.885 30 10 IJEE C=CC[C@]1(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CCCN1C(=O)OC(C)(C)C 1521754441 JPUZHSYQXGUVHQ-NBGIEHNGSA-N 438.572 4.962 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 1522391635 CDACBCLGYJDJML-LJQANCHMSA-N 427.953 4.661 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)c1 1527974970 LDWMJHQHTAQSGC-HXUWFJFHSA-N 449.304 4.683 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(Br)sc1Br 1528931837 BEBFEGLBLYOWOI-ZDUSSCGKSA-N 440.160 4.952 30 10 IJEE C=CC[C@]1(C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1536467581 ANTKODFIOIPCSU-PIIWDFAUSA-N 426.966 4.669 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)C2)ccc1Cl 1537748910 HSIWTYXHNSLREH-SJLPKXTDSA-N 432.973 4.640 30 10 IJEE C=CCCC1(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CCCC1 1538896073 PHQGPFUWTIPYHC-BGYRXZFFSA-N 432.630 4.610 30 10 IJEE C=CCCCN(CC)C(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 1539023703 VHDCLOYCZQWBMK-UHFFFAOYSA-N 445.357 4.895 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CC=CCC1 1539579755 CIOFVLLLVVGZPX-HNNXBMFYSA-N 432.322 4.554 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1539595942 HPGPEFMKIVCTJQ-IEBWSBKVSA-N 449.368 4.636 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1 1539620914 OFEYSTLCSVWCJN-JTHBVZDNSA-N 448.615 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1conc1COC 1539655141 IZTRASGXACNPFO-UHFFFAOYSA-N 441.601 4.861 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1539855778 GQWKFBMGSMASTF-QFIPXVFZSA-N 435.572 4.526 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1539884529 LZVZQHMMDLFMCC-CVDCTZTESA-N 434.588 4.594 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1540029317 PNRHTXOATMJNKS-HSZRJFAPSA-N 445.567 4.770 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(SC)CCOCC1 1540058044 PNTNVOHPBJRABH-UHFFFAOYSA-N 427.401 4.786 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccoc1 1540139829 FYXWEZTYEGDTIQ-UHFFFAOYSA-N 444.358 4.931 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCn2ccnc21 1540155098 LMCLDBLRSAMGAA-MOPGFXCFSA-N 436.535 4.510 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCS1 1540180722 TWMSBBOZYNWURX-VWLOTQADSA-N 433.625 4.785 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@H](C)C1 1540186674 GCRHYIDSWMVCLE-TZIWHRDSSA-N 438.547 4.651 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C1 1540893081 WNCVTQKJPDOMIF-UXHICEINSA-N 433.021 4.589 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)Cc1c(F)cccc1Cl 1540918338 PAAKBGTWHVMYIO-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1540919505 CEJGNRIQOTUQJC-KRWDZBQOSA-N 440.535 4.863 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)C(F)(F)F)cc1 1544661847 YXTZRJPVFHWEKR-GOSISDBHSA-N 448.422 4.667 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(OCc3cccc(C)c3)cc2)c1 1559679031 CJIQSLQYEDAQFF-FQEVSTJZSA-N 441.531 4.554 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)CC2)c(Cl)c1 1562330535 HJAMBROELCJRER-UHFFFAOYSA-N 444.922 4.797 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@@H](CC)c2ccccc2)CC1)c1ccc(Br)cc1 1564999251 IRAPXRKOJQXEAB-VXKWHMMOSA-N 440.385 4.602 30 10 IJEE O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(C(F)(F)F)c(O)n1 1566887732 IIQOAXQLMBYYIZ-NSHDSACASA-N 432.242 4.858 30 10 IJEE CC1CCN([C@H](CNC(=O)c2ccc(Br)cc2C#N)c2ccccc2)CC1 1583056108 AGXBGTIQGULIPF-OAQYLSRUSA-N 426.358 4.524 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C)C(C)C 1585128739 KEIRSSHPZALKGZ-DHIUTWEWSA-N 441.616 4.683 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CC(=O)N(c3ccc(CCC)cc3)C2)C(F)(F)F)cc1 1587315399 MQQHGZMVCAXYNH-SIKLNZKXSA-N 429.438 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1587562402 OSRLYRPVWFSYCU-QKNQBKEWSA-N 439.604 4.533 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC1CCC(F)(F)CC1 1587673448 OEYOXPIXEPBBST-QGZVFWFLSA-N 432.515 4.539 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H](C)[C@H](C)c3ccc(Cl)cc3)n[nH]2)c1C 1587735345 ADBCOSIOWQUARW-HOCLYGCPSA-N 425.964 4.994 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1589185962 MVUPCGGCRGWTRE-PBDKAQRYSA-N 449.643 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H](C)c1ccccc1 1589528244 DZMROQKFZBVSLI-CKUXNOBLSA-N 431.584 4.870 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(Cl)ccc1OC 1593712094 RVYYHPUQTDWPQR-UHFFFAOYSA-N 430.936 4.738 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2)CC1 1593817443 CBCHVXLRZAMNMC-SFHVURJKSA-N 447.986 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@@H]1CCOC1 1594473592 VPKGVWYHBCUEGI-LJQANCHMSA-N 436.556 4.945 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1594651440 LOFPZCNYBYRJRC-GBXCKJPGSA-N 442.629 4.619 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C1CCCCC1)N(C)C 1594857763 POUPZOPZGQKTCW-NQIIRXRSSA-N 429.584 4.690 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCCCC1 1595243766 DUVMDMPYJFTIIA-UHFFFAOYSA-N 437.588 4.939 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@H]1CCCCC(F)(F)C1 1595251538 UOLQIMLXJKEVOI-SFHVURJKSA-N 442.514 4.779 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@H](CC(=O)OC(C)(C)C)CC(C)C)c2c1 1612636520 BFOMNQGZJKECPE-INIZCTEOSA-N 427.545 4.930 30 10 IJEE C#CCN(C(=O)c1cc(O)c2ccccc2c1)[C@@H]1CCOc2ccc(Br)cc21 1617600676 MZBPDXOAKAHUKY-HXUWFJFHSA-N 436.305 4.907 30 10 IJEE C=CCCC[C@@H](NC[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)c1ccccc1 1620543000 PLUJLVOSXSXQLK-PKTZIBPZSA-N 446.513 4.854 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1624769346 DSCFDEPWFFSVSE-JXFKEZNVSA-N 448.991 4.949 30 10 IJEE CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)[C@@H](CC#N)c3ccccc3)n2)CC1 1625513726 BOGVXMWWIJKIQZ-SFHVURJKSA-N 440.569 4.894 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)c1ccc(Cl)cc1F 1629953093 SWUMKPXOLPJCAW-XZOQPEGZSA-N 427.951 4.926 30 10 IJEE CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1632790619 HSWAJPHDFRNUHQ-IFMALSPDSA-N 436.556 4.692 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 1634891617 WZRZXTMMXCGJIE-IBGZPJMESA-N 443.931 4.559 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(Cc3ccccc3)C2=O)nc2cc(Cl)ccc2c1=O 1640579124 WBCCXLOOWSIZMF-HXUWFJFHSA-N 439.968 4.519 30 10 IJEE C=CCO[C@H]1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 1642388599 NLMJWLGPIDDJNC-VXKWHMMOSA-N 436.379 4.737 30 10 IJEE C=CCC[C@H](NCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1 1642447064 DCOHEXLWYUZHEN-NRFANRHFSA-N 449.492 4.790 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(OC)ccc2ccccc12 1651557805 CPXBLGSROWCPHG-LJQANCHMSA-N 432.948 4.543 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccccc2)C(=O)OCC)nc2sc(C)c(C)c2c1=O 1656058617 ZYCQLIJOKLCRFH-KRWDZBQOSA-N 428.579 4.527 30 10 IJEE N#Cc1cc2c(nc1OCC(=O)NCCC(c1ccccc1)c1ccccc1)CCCCC2 1656822934 HMBFKBLOGZHBKC-UHFFFAOYSA-N 439.559 4.939 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@@]3(C)COC(=O)N3)c2)cc1OC 1656861795 XPIJGRHAQYDRLC-OAQYLSRUSA-N 447.329 4.590 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1CC 1660722424 FAHZEJXIRIMVMA-UHFFFAOYSA-N 442.441 4.787 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 1661119740 VEMOQQQMCSOGRU-HXUWFJFHSA-N 429.467 4.724 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc(OC)c1OC 1669217289 GXRSEHNTAGPRHD-UHFFFAOYSA-N 446.551 4.892 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(F)cc1 1674014924 MIGSRGMMRKAEES-IRLDBZIGSA-N 443.563 4.569 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC(Nc2ccccn2)CC1 1674202033 AFRVKWOKSPATSV-UHFFFAOYSA-N 441.535 4.949 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1)c1ccc(Cl)cc1F 1680667029 IZHLXHOYQCFSFG-JOCHJYFZSA-N 435.886 4.905 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](C1CCCCC1)N(C)C 1689831504 LYHAISNLAXANKS-QPPBQGQZSA-N 433.644 4.717 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1689919730 YXADROJZDBEBTL-CZUORRHYSA-N 426.870 4.655 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCOCC2(CCC2)C1 1689921048 RWWOXZXAABPLHZ-UHFFFAOYSA-N 436.600 4.790 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1690158194 ZIVXHCJNGHUSPV-JQVVWYNYSA-N 440.613 4.562 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1690229734 DYYSRJSJAFURFG-IEBWSBKVSA-N 445.405 4.803 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1690368682 HUFJBWRHVAGJLH-MJGOQNOKSA-N 445.405 4.845 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCc2cnn(C)c2)CC1 1690368776 LWCSLVAVLAPIPK-UHFFFAOYSA-N 431.371 4.775 30 10 IJEE C=CC[C@@H](Cn1c(N2CC=C(C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690446430 AGFMHINPVOVGLA-JYFHCDHNSA-N 436.600 4.835 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2csc(C)c2)C1 1690711763 HXQIDUBBQQKCHI-QFIPXVFZSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1690742322 MPLBPCBOEKBIKG-HSZRJFAPSA-N 449.624 4.708 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1690744448 PJOOMMAVKBXFCE-SFNQZPIRSA-N 432.659 4.790 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCc2ccc(OC(F)(F)F)cc2)o1 1693054317 HHFMSESVWVOMSN-UHFFFAOYSA-N 445.445 4.728 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCN(CC(C)C)C1 1705478628 FDFMAPYEFRUDTB-DHIUTWEWSA-N 433.644 4.574 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1OCCC1(C)C 1705604616 PTSSRUAMKSZOSP-ICSRJNTNSA-N 445.007 4.963 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1nc2ccccc2s1 1705703489 UVKUXFNLRWRBIY-VGSWGCGISA-N 425.602 4.704 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CCC)CC1 1705716455 LQQVOLMDQMLQBG-LJQANCHMSA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCc2nc(C)no2)CC1 1705772033 KYROSBKXVZPTFG-UHFFFAOYSA-N 444.992 4.704 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1705822133 UNOZUZZEDKMYPF-JOCHJYFZSA-N 434.588 4.521 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCN1CC)C1CC1 1705849242 HJRXGRBZYYPQSS-QUCCMNQESA-N 427.568 4.586 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@H](C)C1 1705862736 URBSZQVZGXCAKT-FHAGJXEFSA-N 442.579 4.698 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CC[C@H](CN3CCCCC3)C2)cc1 1705910048 PSBDMPZQJDTDFX-FYYLOGMGSA-N 437.632 4.717 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)Cc3ncc(CC)s3)nnc2C(C)(C)C)cc1 1705910376 AJIOQUHYHNGJIS-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 1705910595 HBOCIJPHBPIOPH-RTWAWAEBSA-N 437.632 4.543 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@H]1C 1706560204 ATUGOTBSUJWBNM-HOYKHHGWSA-N 435.597 4.844 30 10 IJEE CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCC1CCN(CC(F)(F)F)CC1 1709705405 AEUFBPBJIKUNDI-UHFFFAOYSA-N 448.537 4.717 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC=C(c2ccccc2)C1 1722327453 ZSQOEFMAKIXCHM-UHFFFAOYSA-N 436.357 4.743 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](c1cccs1)N(C)C 1722406275 WVCQDCBNWDBPKL-QFIPXVFZSA-N 444.608 4.626 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(Cl)=C(Cl)C1 1722455994 XOPGGGVOBLYLDP-UHFFFAOYSA-N 433.364 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(OCC(F)(F)F)cc1 1722513597 BNVSOUBRQZJEDJ-UHFFFAOYSA-N 445.489 4.656 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1722529835 DWSXRLZMJZRVLE-UGKGYDQZSA-N 438.597 4.874 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(F)(F)F)CC1 1722546084 GATARBRAZWQIIF-UHFFFAOYSA-N 436.869 4.866 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722546168 VSFPTEWXLDIPPF-YJBOKZPZSA-N 427.763 4.726 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CC(F)(F)CO2)CC1 1722564678 SIGVIPGDNBTWBL-RTBURBONSA-N 432.515 4.616 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC2(N(C)C)CCCC2)CC1 1722571954 IEKDVAQXZBWTQW-UHFFFAOYSA-N 441.645 4.610 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1722577885 SRWBEXPZRYJJDN-NQIIRXRSSA-N 443.636 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1722579754 CJJOBTAKSKJYTF-UHFFFAOYSA-N 437.632 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1722586346 CUJHXBMCVQSBRZ-WTPASJBYSA-N 437.613 4.877 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 1722593783 AMRPBMJPLCAWEZ-AZUAARDMSA-N 446.473 4.974 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC1(C)C)c1ccccc1 1722595511 WZTSIFIHZABUDY-HXUWFJFHSA-N 430.556 4.664 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)[C@@H](C)C1)C(C)C 1722665589 NIQHAJSFIRQYBK-GPJHCHHRSA-N 429.653 4.701 30 10 IJEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)CCO1 1727994759 ANZIAZXZODVIKU-HSZRJFAPSA-N 437.588 4.704 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740567890 QUZCCXQBEOMREJ-HXUWFJFHSA-N 446.517 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCC1CC(OC(C)(C)C)C1 1740727268 FTWLCKMEYNLTEB-UYSSGXRJSA-N 436.600 4.930 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1([S@@](C)=O)CC1 1740769421 KXVUHBXNSXERPQ-GDLZYMKVSA-N 432.659 4.589 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](OCCC)CC1 1740802613 AXWWKAKKKHBOOP-LJQANCHMSA-N 440.979 4.873 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CCCCO2)CC1 1740835613 HVOXAEGXTPEIFR-KRWDZBQOSA-N 449.368 4.818 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCSC[C@H]1C)c1ccccc1 1740854407 GMLPGSYBQLRLSF-YLJYHZDGSA-N 439.654 4.935 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1740856159 QUWCZWIHARPSJM-HXUWFJFHSA-N 449.565 4.911 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCN1C1CC1 1740893906 BKTCHXDHHBOBQD-LJQANCHMSA-N 444.421 4.655 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)CC1 1743123606 GQVGXWAZSFCLJZ-LJQANCHMSA-N 434.613 4.635 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1748642778 QLWCRZCAXHGENM-QFBILLFUSA-N 427.474 4.740 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC1CCC1)CC1CC1 1748764412 NSQXSNNPUDMGMF-NRFANRHFSA-N 441.620 4.780 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H]1C[C@H](F)C1 1748868424 WNUNKARKMZOKOD-BJLQDIEVSA-N 428.939 4.673 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1cccc(NC(=O)CC(C)C)c1 1748898805 SWBROWNKRNMWNC-UHFFFAOYSA-N 445.611 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)C[C@H](C)c1nccs1 1749123485 DWIYPJKYIORNGO-ZJOUEHCJSA-N 437.613 4.931 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](OCCC)CC1 1749125774 XVMCGAMTNIEKFR-MZKRTTBSSA-N 442.579 4.851 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1749384447 BQZCMFUWPMGALI-DHIUTWEWSA-N 448.615 4.519 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)CC1 1749429098 FSCUNAVCFAVEFU-UXHICEINSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1c(C)cccc1C 1749550737 HXAIYYUJHGSCAP-UHFFFAOYSA-N 432.597 4.792 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2CCCC[C@H]2C1)C(C)C 1749557044 FUFOZDCLZIHCST-AOHZBQACSA-N 436.648 4.988 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1749646411 QNDAVDNHBZQASM-JBACZVJFSA-N 437.588 4.919 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1749761727 FLSYSDNRHFSNCM-MRXNPFEDSA-N 429.540 4.659 30 10 IJEE CC(C)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 1750701343 GYLGMNNQMNDZHG-LPHOPBHVSA-N 447.505 4.799 30 10 IJEE CC(C)(C)c1nc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cs1 1751276970 GRKJTHLOJFSKLS-WZONZLPQSA-N 442.633 4.646 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C(C)C)C(C)C 1760228918 WWCMHDKBLDLQNM-IBGZPJMESA-N 427.662 4.710 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1C 1760298259 ZQXGATPLBCHRGX-IUKKYPGJSA-N 445.032 4.889 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(Cc1ccccc1)CC1CCOCC1 1760312647 BPLWLXIBOYOBGR-DNQXCXABSA-N 438.616 4.816 30 10 IJEE C=C(Br)Cn1c(N(C)C[C@H]2CCCOC2)nnc1C1(c2ccccc2)CCC1 1760314878 UKPCXOSFDZIUGZ-GOSISDBHSA-N 445.405 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H](C)N(C)C1CC1 1760331941 QSBRGHBBMZTYHX-INIZCTEOSA-N 432.410 4.593 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1760358783 ZGYANWAFNHZEDV-SFHVURJKSA-N 431.650 4.862 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1760361581 NNAUSPYZPIFCCP-RUZDIDTESA-N 440.563 4.916 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](CN2CCCCC2)C1 1760427307 WQAQYGRHGUPAGK-HXUWFJFHSA-N 443.586 4.816 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CC(C)(C)CN(C)C)C1CC1 1760469304 CPLJTJXTQVYOLB-UHFFFAOYSA-N 438.439 4.512 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCSC1 1760501531 SYBPNOZICCXESV-LJQANCHMSA-N 428.627 4.902 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(F)(F)F)cc2)C1 1760546583 RGJWWHOBCXLZIY-IBGZPJMESA-N 448.514 4.779 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N 1766153720 ANAKBEROXHUVBD-NSHGMRRFSA-N 440.661 4.744 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)OC(C)(C)C)c2C#N)C1 1858724831 JWEPUOYSGRNVQU-ZDUSSCGKSA-N 442.541 4.504 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc2nc(C)c(C)nc2c1 1861399584 DSGSMTYJOWCGBX-NRFANRHFSA-N 444.645 4.575 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1c(OC)cccc1OC 1861483980 AJAUQSSVRZXBQD-OAQYLSRUSA-N 440.584 4.522 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1862145934 JOITVJDDOALUFQ-GCTXXEFPSA-N 446.591 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(O)c2)cc1C 1862401288 XUHUFDFXSPDDST-DEOSSOPVSA-N 443.499 4.530 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 1862468765 XGCYJROHGDAFTD-SFHVURJKSA-N 432.289 4.823 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1Br 1862512569 UGOFKHIFOVXTQW-SFHVURJKSA-N 430.273 4.661 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 1862583697 IOJFKTNESBZGKL-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE CN1CCCc2cc([C@H]3C(C(=O)c4cccc(O)c4)=C(O)C(=O)N3C3CCCCC3)ccc21 1862599798 GUVSLYKYLYUMSB-DEOSSOPVSA-N 446.547 4.686 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(C)c2)cc1F 1862636623 KTIVLBBELYKXJH-XMMPIXPASA-N 445.490 4.964 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862676343 HHVKEKKOSRNHKG-IBZMOEQTSA-N 438.455 4.891 30 10 IJEE CCc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863123425 NBTHKIVLQUYLAL-UHFFFAOYSA-N 432.483 4.999 30 10 IJEE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866817765 MWTVJQHVLFVFSM-UFIOJNINSA-N 443.934 4.981 30 10 IJEE C[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867117205 NOBJTGRIKYTCMN-IERDGZPVSA-N 433.458 4.502 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1C 1870090264 DMVZKFMECHYCTG-UHFFFAOYSA-N 430.545 4.552 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCC3)cc2)cc1 1870140871 OCECHAJFMSZLOJ-VGOFMYFVSA-N 426.524 4.514 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc(N(C)C)cc2)cc1=O 1870830678 WDHNNOGXVUITRD-UHFFFAOYSA-N 429.605 4.912 30 10 IJEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cc(OC)ccc1OC)C2=O 1871394100 DCLQPLJHDUXPPW-HMAPJEAMSA-N 425.525 4.956 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871454376 MNZIHLVLKLKKDO-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(F)cc2)nc(Nc2ccc(Cl)cc2)[nH]1 1871522496 NQXQPXUNXIGPQK-UHFFFAOYSA-N 438.938 4.663 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1872069885 HHMIZDURARRINB-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1cccc(OCc2ccccc2)c1)S(C)(=O)=O 1872202059 QJCGHOPAKORGTD-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)c1ccccc1)S(=O)(=O)CCC 1872228544 IAFGELSISSKNDO-JOCHJYFZSA-N 428.598 4.892 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)CCCC 1872259563 JAJZFCWSPHDLJZ-LJQANCHMSA-N 432.989 4.840 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872548638 NJEHOOORZJJXAE-VGOFRKELSA-N 432.561 4.673 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763322 JLSXLPRQNBTCHG-AWEZNQCLSA-N 428.813 4.770 30 10 IJEE CCCCOCCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873329913 MHMKKIDXSAYXQD-UHFFFAOYSA-N 445.563 4.882 30 10 IJEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n(/N=C/c2cc3ccccc3n2C)c1=O 1873494616 CMMISPPJKNJYMP-CVKSISIWSA-N 445.592 4.910 30 10 IJEE CCOc1ccc(OCc2nnc(SC)n2/N=C/c2ccc(Br)cc2)cc1 1874234327 CHYZTUASORAJQG-CIAFOILYSA-N 447.358 4.622 30 10 IJEE Fc1ccc(F)c(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccco2)c1 1874261586 XAEDTCBHHWYNMO-WYMPLXKRSA-N 426.448 4.903 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2/N=C/c2cccc(O)c2)CC1 1874287585 MNZMHZDTACEOQP-OEAKJJBVSA-N 430.574 4.595 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2ccco2)cc1 1874350511 PWQGGFZOOFMUMK-OEAKJJBVSA-N 449.492 4.553 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccn2)c1C 1874452133 FSXLEJSCEQSGNR-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C/c2ccc(C(C)(C)C)cc2)o1 1874532492 LYZLBXXVTJXNHZ-YDZHTSKRSA-N 426.542 4.828 30 10 IJEE CCCN(CCC)C(=O)COc1c(/C=C/C(=O)c2ccc(F)c(F)c2)cccc1OC 1874585093 LPBBWHLTHLWNBH-ZRDIBKRKSA-N 431.479 4.897 30 10 IJEE CCCOC(=O)COc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)ccc1OC 1874600450 NBDBKUMCACKPOP-SOFGYWHQSA-N 432.900 4.894 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1C 1874621027 GJQZDKNJQXGZCA-IZZDOVSWSA-N 429.472 4.946 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c(OC)c1 1874633022 IJBBFIJRYISIHU-SKTWIKFTSA-N 445.515 4.856 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)COc3ccccc3OC)c2)c1 1874706648 SHJJFZNNSXDOBY-ACCUITESSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3cccs3)c([N+](=O)[O-])c2)cc1F 1875153145 SLAVWDJCKSWIND-QPJJXVBHSA-N 441.436 4.848 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc([N+](=O)[O-])c1OC(=O)CC 1875189819 JLJXNGSAOZCOSC-CMDGGOBGSA-N 427.453 4.830 30 10 IJEE C=C(F)CNc1cc(Br)c(I)c(Br)c1 1885835628 HQJHMTOCPMPWGP-UHFFFAOYSA-N 434.872 4.711 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1Cl 1891656805 QOXNOQQDDYIDSG-UHFFFAOYSA-N 446.650 4.934 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2ccc(Cl)c(Br)c2)C1 2063052370 VCDWAJAUQDRSEK-INIZCTEOSA-N 429.786 4.833 30 10 IJEE Cc1cc(C)c([C@@H](C(C)C)n2nc(C)c(C=NO)c2I)c(C)c1 2079971714 KYYGLWRXHHGTGD-QGZVFWFLSA-N 425.314 4.775 30 10 IJEE CC1(C)OB(c2cccc(OCCN(CCC(F)(F)F)Cc3ccccc3)c2)OC1(C)C 2095867065 VHDHWLQNUMIBSK-UHFFFAOYSA-N 449.322 4.819 30 10 IJEE C#CC[C@@H](C)C[C@H](NCC)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2196838221 XHBIRLHILUGNIZ-LSTHTHJFSA-N 437.422 4.913 30 10 IJEE N[C@@H](C#Cc1ccccc1Br)c1ccc(I)c(Cl)c1 2227468947 BMFQTDFRTHTKOQ-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2235722806 GERYJGKTTVKBOH-PKOBYXMFSA-N 435.406 4.672 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)Cc1ccc(NC(=O)OC(C)(C)C)cc1 2235736241 XHMFDDYRQMBDPY-LJQANCHMSA-N 429.358 4.978 30 10 IJEE C=C(c1ccccc1)[C@@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237416631 AJLRQBJFJFUUBO-WOJBJXKFSA-N 431.374 4.926 30 10 IJEE C=CCCC1([C@@H](O)c2cccc(OC)c2Br)CN(C(=O)OC(C)(C)C)C1 2266301182 JPUKNKXXIFCSAV-KRWDZBQOSA-N 426.351 4.694 30 10 IJEE CC1(C)OB([C@@H]2CCCN(C(=O)c3cccc(Cl)c3Br)C2)OC1(C)C 2267983287 NMILKPKMIQJITB-GFCCVEGCSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@H](O)C#Cc2cccc(Br)c2)CC1 2296219857 RZSFJLMKUOLCPZ-NCYVPVAZSA-N 440.353 4.585 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@]2(O)C#Cc1cccc(Br)c1 2296220025 UIBQLDRMFSKPAV-XADJEIMESA-N 434.374 4.635 30 10 IJEE C=CCN1C(=O)C(=O)C(=C(O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 2296235705 ZVARSPNDYNXPAK-QGZVFWFLSA-N 432.701 4.710 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296272055 JAFPZPGIZSNIOF-OJAHFUOMSA-N 433.390 4.567 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@]12CC[C@@](C)(CN1C(=O)OC(C)(C)C)C2 2296277664 VIDMEXOLPNCJQV-BWAGFHJFSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(O)C#Cc2ccc(Br)cc2)C1 2296281725 NURWZVRRSYXOQC-LRXVAGHRSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296306023 AYDFIHKINUWGNR-MDNKFWRPSA-N 433.390 4.696 30 10 IJEE CCc1ccc(CCOc2ccc(C=CC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)nc1 2297466654 JFJIDVAYKYRGSH-UHFFFAOYSA-N 435.545 4.565 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@@H]1c1cccc(F)c1 2297734996 FNJIMCGDEZLMLF-HSZRJFAPSA-N 443.430 4.706 30 10 IJEE CCCCOc1ccc([C@@H]2C(=C(O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 2297743605 MQCUWRSWRQLYLR-OAQYLSRUSA-N 436.464 4.690 30 10 IJEE CC(C)[C@H](CS)COCc1cc(I)ccc1Br 2302773189 WWXSOKPIZJODPC-NSHDSACASA-N 429.161 4.772 30 10 IJEE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317346235 FTZOPOLGQBBILJ-NEXPLYTHSA-N 432.370 4.797 30 10 IJEE COc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)cc1OC 2321962060 DUBYYSHSHWHJBV-UHFFFAOYSA-N 433.460 4.574 30 10 IJEE COc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1OCC(=O)NCc1ccccc1 2322638091 JUSWOCNJUPBZCU-UHFFFAOYSA-N 433.479 4.734 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1cccc(OC)c1OCC(=O)NCc1ccccc1 2322649213 VIQKTIKRCJGHME-UHFFFAOYSA-N 445.515 4.604 30 10 IJEE Cc1cc(OC(=O)c2ccc(Br)cc2)cc2c1C(=O)C(=Cc1ccccn1)O2 2322708355 ZCLXOWYIYOQDOY-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)c1 2323486784 FMIOVGOSSPZMAL-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c1 2323970594 ZASYUAHTKDBSFQ-UHFFFAOYSA-N 436.485 4.920 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(F)cc3)n2)c(OC)c1OC 2324853104 UMCNWYDXRDKVQV-QGZVFWFLSA-N 438.480 4.865 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1C)OC(=Cc1sccc1C)C2=O 2325272053 JVQBZUGTJAHOIH-UHFFFAOYSA-N 449.528 4.685 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1ccc(OC(C)=O)cc1 2326681627 QMDWTCYMFSQFPA-UHFFFAOYSA-N 433.537 4.592 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc[nH]1 2328234852 XRCCRFMAOTVDPR-UHFFFAOYSA-N 437.500 4.507 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccc[nH]2)cc1 2328573084 XPNJKGZGGJUTOI-UHFFFAOYSA-N 435.528 4.714 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OC(=O)COCc1ccccc1 2331081461 KEDQLZQVFFPTBI-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)cc1O 2331224492 WMCDSHBPGXPZDZ-UHFFFAOYSA-N 426.885 4.777 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCCCO)nnc2C(C)(C)C)cc1OCC 2331406446 NGTLZAMQRNPGSU-UHFFFAOYSA-N 434.606 4.510 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCCO)nnc2C(C)(C)C)cc1OCC 2331408194 GWTLEHDWGPISBU-UHFFFAOYSA-N 448.633 4.900 30 10 IJEE Cc1cccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)c1 2331436282 NVJLXZDIFMEGKG-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339574368 HGGQZVLYTLDXHE-RBUKOAKNSA-N 443.397 4.832 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339577181 PQMYHHXZJZEAKK-SFHVURJKSA-N 443.397 4.608 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339578471 HMFJOPLURKLUGE-RTBURBONSA-N 444.381 4.798 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(C)cc(Br)c1OC 2339680666 ZFHHOQWHPFLZJH-IRXDYDNUSA-N 427.383 4.886 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2359707632 SZOCVXFOSWZRDB-SXKCCIOGSA-N 434.374 4.635 30 10 IJEE C#CCN1C(=O)S/C(=C\c2cc(Br)c(O[C@H](C)CC)c(OCC)c2)C1=O 33436854 BAVIPSDRFBXEAC-COOUDCDJSA-N 438.343 4.695 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)c(OC)c1 34955432 LCZQWXRMJAUUDD-SDNWHVSQSA-N 448.471 4.836 30 10 IJEE C=CCc1ccc(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c(OC)c1 40197140 XMHXCAYNKDQLQI-UHFFFAOYSA-N 445.519 4.766 30 10 IJEE C=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N(CC)c2ccccc2)c1 66062490 YLKNHWAZJOPCQA-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE O=C(Nc1cccc(F)c1)N1CCC2(CC1)Nc1cccnc1N/C2=N\Cc1ccccc1 96309706 HRWNOZNBRVJSCO-UHFFFAOYSA-N 444.514 4.724 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccc2F)cc1 103112408 KAFFMZKSBCTWIY-LAFOYAEKSA-N 438.480 4.534 30 10 IJEE CC(C)Oc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 103221415 FTXDFROJDUZKRH-UGUGFTGJSA-N 446.478 4.630 30 10 IJEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)cc(Cl)c1OCC(C)C 169905344 ARZTXVGHUJHEKG-FSJBWODESA-N 438.977 4.703 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccs1 169987638 WXFFUVRMLCFKLB-IBGZPJMESA-N 427.428 4.818 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1cccnc1)c1c[nH]c2ccccc12 170009745 CYQUVQJUCZHAGH-NRFANRHFSA-N 445.862 4.705 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 170072465 BTAZWINFFWGXFR-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)o1 170102903 UGYZTFFPFQJHRR-JOCHJYFZSA-N 437.442 4.996 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccnc2)ccc1Cl 170188066 AUZARQUHGCTZLH-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)cc1C 170191331 NXSVBCHAGXFIKQ-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)cc1C 170204632 LUGLYNZODNNIOC-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)c(Cl)c2)[C@H]1c1cccc(O)c1 170263111 MQLFQUCHZJULSH-QGZVFWFLSA-N 436.291 4.696 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccco1 170288958 LJTUWEWFVVXBTM-NRFANRHFSA-N 433.460 4.702 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C)o2)c1 170298577 YQWCICXWKDMUAE-FQEVSTJZSA-N 447.915 4.643 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(C)[nH]c2ccccc12 170311894 LKHFJWKPUUJHQW-OAQYLSRUSA-N 433.464 4.763 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1c1ccccc1O 170314707 MUNNJPTZECAYQG-SZNDQCEHSA-N 447.512 4.868 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2sccc2C)c1 170316501 ZXVKNMAONDVSQK-FQEVSTJZSA-N 434.517 4.629 30 10 IJEE COc1ccc2c(c1)O/C(=C/c1ccc(OC(=O)/C=C/c3ccccc3)c(OC)c1)C2=O 210088329 KXGWGJQGPSSJHA-XZNKGKGBSA-N 428.440 4.939 30 10 IJEE C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1C12CC3CC(CC(C3)C1)C2 253568306 LAURECPKKJUZSQ-UHFFFAOYSA-N 444.551 4.941 30 10 IJEE C=CCn1c(-c2sc(NC(=O)Cc3c[nH]c4c(CC)cccc34)nc2C)n[nH]c1=S 303338183 DWMYUIUGTXSRIV-UHFFFAOYSA-N 438.582 4.784 30 10 IJEE C=CCN(C[C@H](Cc1cc(Br)ccc1OC)NCCC)C(=O)OC(C)(C)C 406732808 ZCPABJMVIVLFLN-SFHVURJKSA-N 441.410 4.792 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1Cl)c1nc(C(=O)OCC)cs1 409822200 OLHRQYXQQHGZCM-NSHDSACASA-N 429.325 4.613 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446622650 FKQOLFZSMWSHLN-ATIQYGATSA-N 426.948 4.569 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 502664145 CYVNJTGDGVIQNO-AXHJKWHWSA-N 430.552 4.621 30 10 IJEE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)N1CCC(C)(C#N)CC1 506027305 KVAAVGHPFDJLFV-MRXNPFEDSA-N 425.554 4.544 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 508794416 KOIHUWAVNNSBSE-ZDUSSCGKSA-N 445.283 4.681 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(OC)cc2OC)c1 526606246 JTYIZFZQHAQMEM-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2cc(C)ccc2C)c(Br)c1O 526818453 JWHNSYVXMVKXMY-AFPJDJCSSA-N 447.358 4.546 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 558778455 FTYQMIGXIVHLEI-ZTQYQYCKSA-N 432.008 4.534 30 10 IJEE CC(C)CCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 558913379 LGKGESYJRARZOZ-UHFFFAOYSA-N 429.568 4.897 30 10 IJEE C=CCN(C(=O)CN[C@@](C)(CO)C(C)C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 565332805 LCIYNAOQSMTYGO-FQEVSTJZSA-N 442.412 4.633 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCCCN3C(=O)c3cc(C)cc(C)c3)n2)c1 567648810 QCHQHRYOGZKZFQ-QFIPXVFZSA-N 444.535 4.637 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccccc1 584457690 WCNWVCDNWWHKEO-HNNXBMFYSA-N 430.339 4.808 30 10 IJEE N#Cc1ccc(CN(c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)cc1 586197438 RPJXPGXPWUKOOB-UHFFFAOYSA-N 432.423 4.852 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(C)cc1 586257749 QONPGBUJQFSRLP-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncc(-c2ccc(F)cc2)o1 598948355 CGYYTLNFSDNVGN-OAHLLOKOSA-N 425.485 4.917 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@H](C(C)(C)C(=O)OC)C1 619830111 MLEUJKCLNTXHBU-SFHVURJKSA-N 430.618 4.507 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]1C2 721767836 IJGMKEOVEQCIMN-YVHKJVDXSA-N 448.568 4.996 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(C)ccc1F 733201928 MWPFEVXGDMXSIM-OAQYLSRUSA-N 437.540 4.735 30 10 IJEE N#CCOc1ccc(Cl)cc1CN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1 735303218 NZTJLFIRNCNCCW-GXDHUFHOSA-N 442.924 4.838 30 10 IJEE C#CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 765452362 FTCREYZVYZESEA-UHFFFAOYSA-N 436.537 4.786 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(C(C)(C)O)c2)nnc1-c1ccc(Cl)cc1 768283046 MUFKIIKCVYESFR-UHFFFAOYSA-N 442.972 4.743 30 10 IJEE C[C@@H](CCSc1ccccc1)OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 769950839 LNZQFPXHWRBJMB-LBPRGKRZSA-N 442.484 4.884 30 10 IJEE C=CCOCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)cc1 779747159 SQGBCGREDVCKGF-LJQANCHMSA-N 443.956 4.503 30 10 IJEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1C 792750130 JTAXNAIYYDKXCF-UZLBHIALSA-N 441.503 4.645 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800774023 PRFACXQANURMIN-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc(F)cc1 812752151 WTOOBROXKKWYSC-HNNXBMFYSA-N 435.343 4.806 30 10 IJEE Cc1ccc(NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1Cl 1083886525 XAPIRGXWUYMAQV-UHFFFAOYSA-N 428.836 4.713 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncc(CCCC)cn2)nnc1-c1ccc(Cl)cc1 1128956151 KTBCNPIGKBLRLZ-UHFFFAOYSA-N 442.976 4.648 30 10 IJEE C#CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CCCc2ccccc21 1134316286 NFZGFQAQIIGJAR-FQEVSTJZSA-N 427.298 4.819 30 10 IJEE C#CCN(CC(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C)C(=O)OC(C)(C)C 1136882184 FLOUMYGKYAKETH-SFHVURJKSA-N 441.597 4.817 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCc2nc(CC)sc21 1137339108 HMXCEDIPMKAANZ-HUUCEWRRSA-N 427.998 4.577 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1C#N 1141267443 AFPCDOGOGAFKHQ-QHCPKHFHSA-N 427.504 4.845 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)Cc1ccccc1Br 1155458577 PMSSVGDNRRZDHK-INIZCTEOSA-N 445.785 4.834 30 10 IJEE C=CCn1c(SCCCCCn2cc(C)cn2)nc2sc3c(c2c1=O)CCCC3 1164599399 MDZDYRPMEHFWLB-UHFFFAOYSA-N 428.627 4.990 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nnc1-c1ccco1 1165424339 XKYFWPYXKJZZPE-UHFFFAOYSA-N 437.500 4.641 30 10 IJEE Cc1cc(Br)c(Cn2c(C)c(Br)cc(C#N)c2=O)cc1Cl 1189103047 HCBUMAMSTMYAHK-UHFFFAOYSA-N 430.527 4.564 30 10 IJEE C#C[C@H](NCc1ccc(I)s1)c1ccc(Br)cc1 1205988704 HZQGWJOOURAGPK-ZDUSSCGKSA-N 432.124 4.579 30 10 IJEE C#CCN(C(=O)NCCc1ccc(-c2nc(CC)no2)cc1)[C@@H]1CCCc2ccccc21 1221708258 NAZKQIBIVBCSQG-HSZRJFAPSA-N 428.536 4.564 30 10 IJEE C[C@@H](NC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1226074172 AKTGSIVIQIYHDG-WZONZLPQSA-N 448.567 4.985 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1cc(Br)ccc1Br 1226582743 AXTDJKGVULRZAH-UHFFFAOYSA-N 436.147 4.557 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1251631805 UXWIBEGPSFPSHD-WMQCIHAUSA-N 431.552 4.701 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(CC)C2)ccc1Cl 1266137742 ZZUBSVCKGZUAQI-HSZRJFAPSA-N 447.000 4.984 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1 1270182773 AJYFOZKDFYPITI-JOCHJYFZSA-N 438.955 4.684 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 1270659991 VZRAUMZDLZWLFJ-DZFGPLHGSA-N 430.342 4.667 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1Cc1sccc1Br 1286283343 WJLWUUUEDBTIIN-AWEZNQCLSA-N 429.387 4.838 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286356560 JMQPIZNLVWUFCB-UGKGYDQZSA-N 447.410 4.907 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCO[C@@H]1C(=C)C 1286368674 OXMDZJSWIBZSER-XMSQKQJNSA-N 436.556 4.863 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](OC)C(C)C 1286458751 BJMWFUSAIZXSEA-QGZVFWFLSA-N 447.004 4.570 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1 1286569011 ZUAMVJKAPQTRPE-NZQKXSOJSA-N 437.613 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1CCCCn1cc(Br)cn1 1286580423 XQWHFMJWQKMCHY-UHFFFAOYSA-N 435.414 4.778 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1286601166 HVSIVGSMFQCRRR-IRLDBZIGSA-N 437.588 4.509 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(C)C)C1 1286622956 AECNPYOKHFVIBP-MRXNPFEDSA-N 434.968 4.596 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(Br)c2)CC1 1286645725 HJZRKLGPJFMFDT-UHFFFAOYSA-N 433.394 4.843 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(F)(F)CC1 1286698590 CGMLKQLWFFYHLR-UHFFFAOYSA-N 439.551 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1286752783 HSEFFIIGRVWWOS-UHFFFAOYSA-N 441.583 4.715 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)c1nc(C)cs1 1286758413 MNUWXPRNAQJMPC-OXQOHEQNSA-N 437.569 4.538 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(OC(F)F)c(Br)c1 1291878408 ZASLZZXYVMPLBD-UHFFFAOYSA-N 426.257 4.888 30 10 IJEE C[C@@H](C[C@H](C)NC(=O)c1cccc(COc2cccc(C#N)c2)c1)NC(=O)OC(C)(C)C 1299875059 ATLSNHMIJXWKBG-ROUUACIJSA-N 437.540 4.559 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCc1nc(C)c(C)s1 1300643008 OBOFFDGSHJJJCE-INIZCTEOSA-N 425.577 4.887 30 10 IJEE C#CCN1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCCC=C)CC1 1300685528 PYSPNDIBVUDBIM-UHFFFAOYSA-N 440.016 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCCN(C)C(C)C)CC1 1301119520 MGRPRWCRZYKIJY-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1301152179 VVLOMIQQUKCQLF-LJQANCHMSA-N 433.641 4.820 30 10 IJEE C=CCCCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1301235285 YYRKSZNEAWLRLH-HKUYNNGSSA-N 434.506 4.870 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](OC)c1ccccc1)C1CC1 1301317673 YMTPCRLPAHBGSO-LJQANCHMSA-N 442.361 4.578 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2nc3cc(Cl)ccc3s2)C1 1301538077 FIZMJTOOCLZIAQ-GOEBONIOSA-N 431.993 4.884 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)C[C@H]1CC 1301624584 VSINUAKHLFVSPL-OTWHNJEPSA-N 449.665 4.894 30 10 IJEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1CCCc2ccccc21 1304065336 BFPWMVUUTFJFRN-RUZDIDTESA-N 444.556 4.640 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c1 1310189049 XXJTWQIRMVLOMC-FQEVSTJZSA-N 441.528 4.648 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 1355304768 RJTVMJGRMZVNFC-UHFFFAOYSA-N 436.353 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SC)c1 1358872651 XDHSONRNFDFBSC-HOTGVXAUSA-N 441.988 4.695 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1358915207 VZRRGZAUYZHQPT-HXUWFJFHSA-N 442.567 4.526 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1358988356 MAGDZKXWMPUSMC-SZPZYZBQSA-N 443.595 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)c1cccs1 1359185008 IOLVSOXHOXFJNV-KRWDZBQOSA-N 448.600 4.782 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(C)no1 1359196493 JLMUTRCSMKVKEX-UHFFFAOYSA-N 433.354 4.563 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359207549 NXNZEVJECXJYEF-FQEVSTJZSA-N 443.542 4.985 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(C)(F)F)C1CC1 1359250427 KGOUTVPOXGBUQM-INIZCTEOSA-N 439.551 4.593 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@H]1C 1359275816 HIBAJGDSVVRXAO-OFNKIYASSA-N 436.625 4.838 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCSCc2ccc(C)cc2)C1 1359319775 FXCFCXGDMFIEMR-YADHBBJMSA-N 442.629 4.543 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCCO1 1360497404 HLAZUZPEWIDMCY-NQIIRXRSSA-N 435.597 4.762 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN([C@@H](CC)c3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1361193464 VNHWUQGAEKYIFB-NVQXNPDNSA-N 441.616 4.628 30 10 IJEE C#C[C@H](NC(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C)c1ccc(F)cc1 1450082206 RGBIPPLRWAHKNY-FPOVZHCZSA-N 439.531 4.731 30 10 IJEE Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C#N)cc2)c(Br)c1 1459413144 CCUZIIGAZHUIAS-UHFFFAOYSA-N 439.309 4.830 30 10 IJEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1460135961 BEYWYHNBYANFIL-ZBFHGGJFSA-N 446.776 4.866 30 10 IJEE C=CCCCN(CC)C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1463241655 VOLPPVXJFKBMEY-QGZVFWFLSA-N 425.367 4.830 30 10 IJEE CC(C)c1ccc(C[C@H]2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)cc1 1463466044 CEFSVBKCALLMOS-QGZVFWFLSA-N 447.398 4.697 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 1464826270 COMPBVHDXIDNEE-FQEVSTJZSA-N 444.478 4.789 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 1467553702 RFHOPMOTORXSNN-QGZVFWFLSA-N 438.355 4.673 30 10 IJEE N#Cc1cnn(-c2ccccc2NC(=O)c2ccc(SCc3ccccc3)cc2)c1N 1467880111 COKLKGVNUHEQOG-UHFFFAOYSA-N 425.517 4.871 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 1471935881 LHJYQRFLTDJCAD-UHFFFAOYSA-N 432.929 4.943 30 10 IJEE C=C(C)CONC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl 1472592158 GIKFHQZPAAONFI-UHFFFAOYSA-N 436.961 4.721 30 10 IJEE C=CCn1c(S[C@@H](CC(C)C)C(=O)OC)nc2scc(-c3ccccc3)c2c1=O 1472931536 PVOVVNKQMPQLHF-KRWDZBQOSA-N 428.579 4.991 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCc3cc(C)cc(F)c32)cc1 1473236783 DUCSKVVURSINCL-UHFFFAOYSA-N 446.526 4.813 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC[C@@H]2C)cc1OC 1501223487 ICCUFOURKSUSRS-NSHGMRRFSA-N 425.577 4.917 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1CC 1507545995 HVYBOPKWSHEKKL-NMLBUPMWSA-N 429.609 4.634 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(C)(C)C)CC1 1507569095 CFMZUDLHGSUXCX-UHFFFAOYSA-N 437.632 4.588 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1CC(C)(C)C1 1507664169 OJZNDVYLUWNRPQ-UHFFFAOYSA-N 431.403 4.668 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507771613 FMZCXCBYVVYORU-SBZFUYPRSA-N 436.600 4.615 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1507780405 BIKUEGADHIUMMI-YJBOKZPZSA-N 445.386 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(Cl)c1 1507800861 YUTVDRBRHVIVRD-NRSPTQNISA-N 430.980 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC(=C)Br 1508008869 JWQSRWBJBMWQNS-UHFFFAOYSA-N 440.370 4.979 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CCCC(F)(F)F 1508698942 BTUKPYJHDMMFQH-IAGOWNOFSA-N 427.515 4.669 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 1518261469 GTKLZZYTFFJRQH-XMMPIXPASA-N 439.515 4.580 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COc1ccc(F)cc1)c1ccc2c(c1)OCO2 1521284544 SEEBYFBCTZNVGG-UHFFFAOYSA-N 435.451 4.731 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 1523499282 UMSNJYWTSZBQHX-MSOLQXFVSA-N 447.000 4.982 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1523895709 NQXYTLAWAYBCOB-KDURUIRLSA-N 426.582 4.724 30 10 IJEE C#CCOc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 1526380290 RJTMAFAHJWTGMU-UHFFFAOYSA-N 429.303 4.909 30 10 IJEE N#C[C@H]1CCC[C@H](OC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1528079594 CEDMPVOZIHAYGZ-LIRRHRJNSA-N 427.298 4.941 30 10 IJEE N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2cccc(Br)c2)CC1 1532279969 GMWXPSXBAQIJFK-UHFFFAOYSA-N 446.348 4.950 30 10 IJEE C#CCCOc1ccc(C(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cc1 1534740608 QFXSQXCJCPBGIY-ROUUACIJSA-N 430.470 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1538986900 OYEJTNQAPGPDCS-XFAGBWLFSA-N 444.023 4.576 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1539053611 WGRVZVPBBQJBPC-FXAWDEMLSA-N 445.405 4.936 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCN(CC)C1 1539567076 UHONJWRMLTWWRY-WXVAWEFUSA-N 449.643 4.623 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1539606488 GSJXWAYAGFEPJZ-WOJBJXKFSA-N 429.406 4.988 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1540013645 UDSPZQJGHOADFK-OAQYLSRUSA-N 426.605 4.982 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 1540042056 KPDRRQRMIXPMHW-FQEVSTJZSA-N 447.624 4.569 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@@H]2C)C1 1540885762 OXWCZSKSPXWJRH-IEIRFRATSA-N 438.616 4.697 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1540915144 HLQJANDNCBBIES-FQEVSTJZSA-N 434.556 4.886 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)c1 1542111779 VHIOKZPRWXPGFA-UHFFFAOYSA-N 427.548 4.910 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)C(C)C 1544403164 NJZUQHNNSHVRRT-HSZRJFAPSA-N 426.495 4.673 30 10 IJEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(COC)CCC2)CC1 1546703075 FODCQLJUESTMHO-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC(C)(C)[C@@H](c4ccccc4)C3)ccc2c1=O 1558600047 OQLHLCOXPWTVJK-HXUWFJFHSA-N 433.577 4.527 30 10 IJEE C#CCN(c1nc(CC)nc2sccc12)[C@@H]1CCOc2ccc(Br)cc21 1559107790 OYJWQZHMFWBACP-MRXNPFEDSA-N 428.355 4.980 30 10 IJEE C=CCN(C(=O)CN1CCC[C@H](OC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1559662175 RZOKURPDWDNZPI-HNNXBMFYSA-N 440.396 4.747 30 10 IJEE C=CCc1cc(CNC(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)cc(OC)c1OC 1563814339 BGICWDABINVZDG-HXUWFJFHSA-N 448.922 4.508 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1 1565157165 ZWVUTONSCSIXGQ-QGZVFWFLSA-N 436.886 4.980 30 10 IJEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)[C@@H]1CCCc2ccccc21 1585188922 HWLOVQYVPLNNEG-JYFHCDHNSA-N 428.576 4.695 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CCCC)[C@@H]2CCc3ncsc3C2)cc1OC 1585433285 LEBVASLTGUFAPH-YRVHBARZSA-N 426.582 4.916 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 1585973350 LVGIFPUWJUVUMV-UHFFFAOYSA-N 430.545 4.835 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCO[C@H]1CCCC[C@H]1C 1588265580 DLSRTBNNPMPWON-DXIQSLLYSA-N 428.552 4.612 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1588265581 DLSRTBNNPMPWON-IPJJNNNSSA-N 428.552 4.612 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1594478212 OKTIZEJGWJQPGW-WMLDXEAASA-N 426.458 4.843 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1594546317 YCARUFCUNPAQOU-PZJWPPBQSA-N 449.565 4.909 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1594627433 VDCUFPSBZUXXBR-MOPGFXCFSA-N 433.641 4.963 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1594693359 XQXMUYWTDIUQPK-KBXCAEBGSA-N 440.535 4.865 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1594752239 CELWTRLMSLMCJS-XMMPIXPASA-N 429.008 4.814 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1 1594794059 YVTDBOZMYJUMPS-HZPDHXFCSA-N 437.009 4.530 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)C(F)(F)F)C1CC1 1595020271 BUTFZVLNDJYSEZ-UHFFFAOYSA-N 435.494 4.891 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCc1ncc(CC)s1 1595127091 FBVLSBDRWVSVIN-UHFFFAOYSA-N 448.571 4.933 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)cc1 1595141033 CIAWGJATLJWXNP-DEOSSOPVSA-N 438.597 4.541 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(CC)CCCC2)C1 1595755637 ZRHYCEHYUFRFIU-LJQANCHMSA-N 428.552 4.748 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)CCCN1C(=O)OC(C)(C)C 1595890832 DMHVCYULJORAQY-UQBPGWFLSA-N 425.573 4.738 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)cc1 1596979498 ZLGWBEBZXXYTAZ-OAQYLSRUSA-N 433.305 4.806 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1612758062 FMTCIKSUNCVWHY-XLIONFOSSA-N 429.515 4.648 30 10 IJEE CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1614087327 DBNIQNSJZQPONN-UZLBHIALSA-N 436.947 4.569 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 1617900684 FAYRCOBTIVDLSW-ATIYNZHBSA-N 426.560 4.896 30 10 IJEE COc1cc(NC(=O)[C@@H](C#N)CCc2ccccc2)c(OC)cc1NC(=O)c1ccccc1 1624068171 AUFONJDLEWGNTB-HXUWFJFHSA-N 443.503 4.667 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc2nccnc2c1Br 1624650082 HQTNWNKSGREZFF-UHFFFAOYSA-N 427.302 4.934 30 10 IJEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1625861963 HTABWSRTNVDRRR-KRWDZBQOSA-N 433.371 4.637 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3F)n[nH]2)c1C 1631296534 ZFBQIPNATYOJBI-NRFANRHFSA-N 425.483 4.722 30 10 IJEE C=CCOc1ccc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)cc1OC 1633620104 CHOOHYQKFFSAFB-UHFFFAOYSA-N 428.326 4.952 30 10 IJEE C#C[C@@H](NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1ccc(Cl)cc1 1636553054 XGXWQCIBWBGVCN-OAQYLSRUSA-N 427.335 4.776 30 10 IJEE C=CCN(CCC#N)C(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1637543035 CEKITVUPHYAMGM-RUZDIDTESA-N 443.547 4.718 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 1640027918 ZKLGZWGIDXZGCE-ABSDTBQOSA-N 434.964 4.623 30 10 IJEE C=CC1(CC(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CN(C(=O)OC(C)(C)C)C1 1641157267 FGCWWLBCKKNZTG-AWEZNQCLSA-N 432.952 4.549 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 1643873780 FZIYPERGONCTJZ-AVRDEDQJSA-N 442.934 4.924 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Cl)cc1OC(C)C 1644666655 CQKGDCNDDQTYFJ-INIZCTEOSA-N 431.360 4.779 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cn(-c3ccccc3C)nc2-c2ccc(CC)cc2)CC1 1645771735 COIJLPIXNPDEKX-UHFFFAOYSA-N 429.564 4.953 30 10 IJEE C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1CCC)CC[C@H](C(C)(C)C)C3)C(=O)OC 1652380977 AHASGJMOJJMFOU-DZGCQCFKSA-N 434.627 4.839 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)Nc2cc(-c3ccc(Cl)cc3)sc2C(=O)OCC)C1 1654037034 SNXKACGSMHHINV-OAHLLOKOSA-N 430.957 4.529 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N(Cc3cccc(Br)c3)CC3CC3)C2=O)cc1 1654374807 GNRQAJYGLCQQNK-QFIPXVFZSA-N 438.369 4.728 30 10 IJEE C=C(CSc1nnc(-c2ccc(OCC)cc2)n1-c1ccccc1F)C(=O)OCC 1656101093 UIUZVYMBHMFMBX-UHFFFAOYSA-N 427.501 4.684 30 10 IJEE C#CCCOc1ccc(CNc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 1657493447 FXZSWJDHGLINMW-UHFFFAOYSA-N 432.973 4.529 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 1659831426 BKHAAGSRUJXETK-UHFFFAOYSA-N 430.405 4.693 30 10 IJEE CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C12CCCCC2 1660573275 HRTPCZAZUFNNNV-PMACEKPBSA-N 432.611 4.830 30 10 IJEE COc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 1661606057 FDXRHKONYXABOQ-UHFFFAOYSA-N 430.888 4.755 30 10 IJEE N#CC1(CS(=O)(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)CCCCC1 1668649280 BTVZZQWDNQRKTR-IBGZPJMESA-N 439.419 4.554 30 10 IJEE C#C[C@H](NC(=O)Nc1c(F)cc(C)cc1I)c1ccc(Cl)cc1 1669671998 OWAISFSBYOBZSR-HNNXBMFYSA-N 442.659 4.888 30 10 IJEE CCO[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1ccccc1 1671278598 ABOVSEUSDDCJDS-NRFANRHFSA-N 431.540 4.941 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)C1 1671841540 AUMLYTGNKRHKHA-HXUWFJFHSA-N 439.581 4.559 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCCC[C@H]3c3ccc(Cl)cc3)CC2)cn1 1672633011 BLQTVUQUJXAMFT-XZOQPEGZSA-N 437.975 4.555 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1678849663 FCAZECPMTMBKGP-VQIMIIECSA-N 425.520 4.965 30 10 IJEE CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 1681081875 CZRKTRBIDXTODF-DNQXCXABSA-N 430.552 4.554 30 10 IJEE C#CCN(C(=O)NC[C@@H](SC)C(C)(C)C)[C@H]1CCOc2ccc(Br)cc21 1681306375 QRFAQTPYZJAWHJ-FUHWJXTLSA-N 439.419 4.695 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1c(Br)cncc1Br 1681325704 ITYKEPZCHSUGEZ-IAQYHMDHSA-N 431.172 4.541 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)c1ccc(Cl)cc1F 1681334680 YGIIVOOZSXBNEZ-XZOQPEGZSA-N 443.950 4.688 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OC)c1)c1ccc(Cl)cc1 1682352557 PGEZBTZFUPEXNB-DQEYMECFSA-N 448.950 4.968 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 1683106499 HNWQHDVNRUZESH-IBGZPJMESA-N 446.378 4.648 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1689900904 UTUPXTADIZBNOB-UHFFFAOYSA-N 434.584 4.619 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)Cc1ccc(Cl)s1 1690255094 OAYWUAPWIWTXAA-KVSKMBFKSA-N 437.009 4.852 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@H](OCC)C1 1690292677 LIPNACRFZSPOKC-FQEVSTJZSA-N 432.996 4.833 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCc2oncc2C1 1690337594 SOBMZPQODRSOAM-UHFFFAOYSA-N 427.936 4.673 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NC(=O)C(C)C)CC1 1690455187 DUZCBDIEAVWMNQ-UHFFFAOYSA-N 447.986 4.835 30 10 IJEE C=CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690456992 PDLMEQCPYSTFJN-RTWAWAEBSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)c1nccs1 1690457137 RLVKHDPKTSCXLA-MRXNPFEDSA-N 425.558 4.727 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CSCCS1 1690515730 SBSJXXJKEFWREX-PBHICJAKSA-N 425.023 4.542 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(CC)C1 1690563607 XPGXMPJAFHDPLM-FQEVSTJZSA-N 436.991 4.528 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1690581562 ULSKIEVVDHDAHK-JYFHCDHNSA-N 432.616 4.774 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1690740370 RTBFASQLCJXFHB-UHFFFAOYSA-N 431.556 4.838 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690750261 FAXACJRMCFTBKF-HUUCEWRRSA-N 444.498 4.550 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1705502551 XHYIFJSZSNIDBQ-WIYYLYMNSA-N 442.991 4.850 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)OC(C)(C)C1 1705525283 CRTAFIGCKUIDBP-KRWDZBQOSA-N 435.597 4.794 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1705528688 ORIQXFWIHIOYGW-DEOSSOPVSA-N 449.643 4.848 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCSC(F)(F)F 1705623014 CRBDOSUZLXBOPL-UHFFFAOYSA-N 440.535 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1Cc1cccc(COC(C)(C)C)c1 1705673278 VMZGHKQFXDPKIX-ATIYNZHBSA-N 436.600 4.875 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(C)=C(Br)C1 1705699265 DXJOQOYVFLXPTP-PKOBYXMFSA-N 435.410 4.796 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(F)c1 1705705870 MDXMOEFOCCBGCA-DENIHFKCSA-N 426.561 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCC(F)F 1705708728 GKIYFUCZEFCDHX-AVRDEDQJSA-N 434.531 4.547 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1csc(C)n1 1705755476 BXIBQIVYSYLFBL-GOSISDBHSA-N 429.977 4.736 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 1705769414 RUKPHWFKDYWNKF-HSZRJFAPSA-N 437.632 4.869 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCCn2ccnc2C)CC1 1705771321 OYOOEJPLBCMXCN-UHFFFAOYSA-N 434.588 4.616 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1705782040 NCGKHDKXZXPYLC-HKUYNNGSSA-N 449.368 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705786710 WEPFPPQPZNVUGY-ZWKOTPCHSA-N 448.409 4.786 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ccccc2)CC1 1705789681 SOGDFQOUBGCNAW-UHFFFAOYSA-N 430.600 4.968 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCc2ccccc21 1705799231 QIJFZOCDQWWFJR-SANMLTNESA-N 431.584 4.665 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(F)(F)F)CC1 1705810643 CZEJDBYVQLQTBC-UHFFFAOYSA-N 435.494 4.892 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1705879247 RXDYCQUAWVQENZ-ISKFKSNPSA-N 445.567 4.706 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@H]1C 1705881990 IFQPBYHFCWHZTO-CABCVRRESA-N 439.423 4.844 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705948566 XNQUVHSRDVGKCS-NRFANRHFSA-N 430.593 4.647 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)C[C@@H](C)C1 1705948743 DOPNLMKXPNXGOR-QZTJIDSGSA-N 432.659 4.981 30 10 IJEE CSC1(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(CC#N)CC2)CCC1 1712761221 ABRFROJPUCXARZ-UHFFFAOYSA-N 439.629 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722274845 AQWJBCIVANGMEY-BJLQDIEVSA-N 433.625 4.908 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722357010 PIDYBLRUEJKZEO-ICSRJNTNSA-N 434.506 4.912 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@@H](F)C1 1722468922 XYHJWGFEZLCZFU-PDSXEYIOSA-N 449.343 4.977 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1722505699 CEKJBTIEEWBIIF-SBHAEUEKSA-N 443.661 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722512037 UYYGLASNJAMLKI-MBSDFSHPSA-N 431.028 4.906 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N(CCO)Cc1ccc(Br)s1 1722521074 CRQUCRAVHOALCY-UHFFFAOYSA-N 447.402 4.653 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCCc2sccc2C1 1722537150 VHFCBLNYPQYZGI-UHFFFAOYSA-N 438.597 4.773 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCCC[C@H]2C)CC1 1722570025 SNBFQKONXLCTQP-OAQYLSRUSA-N 441.595 4.807 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2c(C)noc2C)CC1 1722575880 AJUJFEZGBXTWHZ-UHFFFAOYSA-N 448.390 4.825 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1722593891 CBSJJDYWUURSNY-MOPGFXCFSA-N 449.521 4.555 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(OCC)CCCC1 1722632484 VZTJBGOVFPSBOG-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC1CC(OCC)C1 1722634560 QBDSWURVHQWZOE-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1722635531 YZDLUFCEHISUCU-HZPDHXFCSA-N 441.576 4.809 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1722645771 ZDUZQFBEEIOQNS-UHFFFAOYSA-N 429.446 4.571 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1cccs1 1722678472 RRQYKUQFIVWPJO-UHFFFAOYSA-N 447.402 4.765 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCSC1 1723986942 AIZUVYMAKIERGV-GSHUGGBRSA-N 446.020 4.955 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2CCCc2cccc(C)n2)c1 1724271501 BSXBQUMRYDEZTB-UHFFFAOYSA-N 444.583 4.550 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C)[C@H](OC)C1 1740568859 SMLFFLUCFKOLDY-AZUAARDMSA-N 426.630 4.940 30 10 IJEE C#CCCCCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1C1(c2ccccc2)CCC1 1740579408 RHVVUCUPUCETMC-ICSRJNTNSA-N 446.517 4.708 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1CC(C)(C)C1 1740632491 KJMHHSXZAAXEHO-UHFFFAOYSA-N 429.593 4.886 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740779753 YMQOVHZHMHYMBZ-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)C2CCCCC2)CC1 1740826041 AIWZGHLIWFJBDV-XMMPIXPASA-N 430.543 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1740843726 OPNOVEBLNYKMBC-UHFFFAOYSA-N 442.604 4.635 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(C)(C)C)CC1)c1ccccc1 1740856625 WUOIWKRZCZTDKW-XZOQPEGZSA-N 437.632 4.800 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1740922045 RORJKZZUGOGXRA-BGYRXZFFSA-N 438.645 4.895 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1ccc(OC)cc1 1740923182 FMJOAAJCTSQUAJ-FQEVSTJZSA-N 438.597 4.678 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(CC(C)C)c1C 1740933808 GTSZVHXNIINORV-FGZHOGPDSA-N 440.636 4.584 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)C1(C)C 1746923972 IERRXKLWBFESNV-CEWLAPEOSA-N 439.629 4.600 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CCCC2)C1 1749212878 AFZGFYYTPJULEO-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCN2CCCC2)CC1 1749347475 COCQNDMIQSQDQN-UHFFFAOYSA-N 437.632 4.787 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OC(C)C)CC1 1749752600 VXFDJKRMVCWSNQ-UHFFFAOYSA-N 425.602 4.739 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1760130126 FKQDGDMDENIYQP-HSALFYBXSA-N 442.629 4.951 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCO[C@H]1CCCC[C@H]1C 1760244183 ZTZMVGHHRJGUOO-WTIAFYNJSA-N 440.563 4.504 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCCCC1 1760285897 UNCJXGQSJNHTAK-UHFFFAOYSA-N 439.412 4.911 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCN(CC(F)F)CC1 1760343384 QKWSMDPVPLMGDC-UHFFFAOYSA-N 447.530 4.776 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1cc(C)cs1 1760344848 LXZRWUPXOGJZDN-UHFFFAOYSA-N 448.596 4.818 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1760380395 AQHQTUKDKSKRPR-AKHDSKFASA-N 437.028 4.733 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C)CC1)c1ccccc1 1760417375 BUMJNEIYRIASFI-NFBKMPQASA-N 445.615 4.577 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC1CC1 1760446397 QAOFRYWNEPSRAQ-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1760505705 FSLKRHLYBIREPM-ROUUACIJSA-N 442.551 4.938 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCCC2(CCCC2)C1 1760569471 PHODLTMYSLESFY-UHFFFAOYSA-N 442.629 4.946 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1760974141 DNVNFKCWDAPGCE-RBBKRZOGSA-N 435.597 4.966 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC[C@H](C)C2)s1 1761772636 AYGOVGUSFYCLMZ-OALUTQOASA-N 448.640 4.944 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](F)(C#N)C1)OC 1764045369 CKEDUQAFRRECDP-DVECYGJZSA-N 439.535 4.975 30 10 IJEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1767250150 CVBLZRNRWXVAHP-VQTJNVASSA-N 447.505 4.973 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CCC[C@@H]1CCCCO1 1769865821 BHCOYYWYWZJVKF-IBGZPJMESA-N 443.979 4.696 30 10 IJEE O=S(=O)(c1cccc(-c2csc(NN=C/C=C/c3ccccc3)n2)c1)N1CCCC1 1772724381 WOBJDKOTYYRIGD-LLIHPHHJSA-N 438.578 4.706 30 10 IJEE Cc1ccn2c(C(=O)Nc3cc(NC(=O)c4cccc(C#N)c4)ccc3Cl)c(C)nc2c1 1860460652 QONYKQHFHVOVFP-UHFFFAOYSA-N 443.894 4.981 30 10 IJEE CCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(OC)c(OC)c1 1861071184 DZXVBBYZEAXECT-AXDNMFEOSA-N 432.605 4.725 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2c(F)cccc2Cl)cc1 1862397780 SBUURDNJAAHHTL-SPLOXXLWSA-N 445.918 4.781 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccn2)cc1 1862493880 ZWGUTFVNUNUDFV-DEOSSOPVSA-N 442.515 4.876 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(OC)c(O)c2)cc1 1862531054 FHVRKFAEEJAZNV-DEOSSOPVSA-N 443.499 4.742 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862602759 JWOCWRIHOIYBPR-QHCPKHFHSA-N 429.472 4.569 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862673769 ODIUPBGUVZRMED-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(O)cc2)c1 1862698711 LPRLJZHCACCVBJ-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(C3CCCC3)C2=O)c1 1863388069 GMHCDZNTWBYLPC-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE N#Cc1c(NC(=O)c2cc(=O)c3cc(Cc4ccccc4)ccc3[nH]2)sc2c1CCC2 1866550190 FHJSNUGBCTXKHN-UHFFFAOYSA-N 425.513 4.793 30 10 IJEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CSCc1ccccc1 1870282024 XTERBIBCZAIJJP-UHFFFAOYSA-N 440.609 4.638 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871001422 MKHDUFQQBJPZHQ-UHFFFAOYSA-N 442.899 4.567 30 10 IJEE CC(C)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(N(C)C)c1 1871251596 MQAGKDBWXBMART-UHFFFAOYSA-N 430.552 4.633 30 10 IJEE CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(N2CCCCC2)cc1 1871252056 JBLXKAWOHQDRFS-UHFFFAOYSA-N 442.563 4.921 30 10 IJEE Cc1cc(OC(=O)CCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871384349 XAWFSNKTCZUQPQ-QRVIBDJDSA-N 444.439 4.714 30 10 IJEE CCCCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O 1871385658 GEJNQOIHDOBGKM-UNOMPAQXSA-N 426.465 4.733 30 10 IJEE C=CCN(CC=C)Cc1c(O)ccc2c1O/C(=C\c1ccccc1Br)C2=O 1871393592 XYPDZHBSUBYGEM-MOSHPQCFSA-N 426.310 4.945 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(CC)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872099815 SULMIZYPVXVXSX-JTSKRJEESA-N 432.561 4.618 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1C(=O)O 1874284684 SQVBNDXNMQUSKJ-OEAKJJBVSA-N 428.945 4.799 30 10 IJEE Oc1ccccc1/C=N/n1c(CCOc2ccccc2)nnc1SCCc1ccccc1 1874346391 MRTNFXAWDNOEDP-LGUFXXKBSA-N 444.560 4.822 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2[C@@H]2CCCO2)c1 1874446881 NJPNCZJUGIDOJW-LEEXQRRLSA-N 449.580 4.668 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccc(O)cc1 1874452810 OGEOOKZIMAKWFN-MFKUBSTISA-N 449.580 4.817 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccc(F)c2)cc1C 1874489061 YSHNVRPIZGZBBE-DHRITJCHSA-N 439.560 4.846 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1 1874609472 SPBCJFXICMLZLX-ONNFQVAWSA-N 425.868 4.533 30 10 IJEE Cc1cc(C(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)ccc1[N+](=O)[O-] 1874692758 WHJZTZLVXOMQBC-DHZHZOJOSA-N 432.388 4.927 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c1 1875180716 VGXWXORBSBETAR-HWKANZROSA-N 443.761 4.929 30 10 IJEE C=C[C@]1(Oc2cc(Br)nc(CCC)n2)CCCN(C(=O)OC(C)(C)C)C1 1881882003 JFPJYBIRMCRBHJ-IBGZPJMESA-N 426.355 4.526 30 10 IJEE Cc1ccc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)cc1C#N 1890691574 UMCKUBSIIQYXNK-UHFFFAOYSA-N 433.515 4.892 30 10 IJEE COc1cc(Cn2cc(CC(=O)Nc3ccc(C#N)cc3)c3ccccc32)cc(OC)c1 1891108362 XLDLZDQLKSRRPW-UHFFFAOYSA-N 425.488 4.760 30 10 IJEE CC1(C)OB(c2cc(F)ccc2CN2CC[C@]2(C)CCOCc2ccccc2)OC1(C)C 1892547145 SPIXFVRNCYPMQV-AREMUKBSSA-N 439.380 4.696 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)c1cc(Br)cc(Br)c1OC 1978489925 LPMQVZGZFNFMMO-QGZVFWFLSA-N 441.163 4.993 30 10 IJEE N#Cc1ccc(Br)cc1NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2026167593 SJETXYHRHPHHLI-BIXGBWIQSA-N 426.314 4.580 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 2038667998 BFEPDAQLUVWYHW-AREMUKBSSA-N 440.632 4.656 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2045250890 XEAOUZBEEUWIHQ-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE CC[C@H](c1ccc(C)cc1F)n1nc(C2CC2)c(/C=N/O)c1I 2079069981 ZDKMPOHTRNNURS-UPWAIKHBSA-N 427.261 4.620 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)cc2F)C(C)C)c1N 2079955599 CPRCJRHZRXINDQ-LBPRGKRZSA-N 427.320 4.674 30 10 IJEE CC(C)(C)c1nn2c(N)c(C#N)cnc2c1-c1ccc(C(F)(F)F)cc1Br 2081473911 BBWTZYWBYRBQHC-UHFFFAOYSA-N 438.251 4.929 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1F 2102880363 OBHZHFGCJAOZAP-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(C)cc(Br)c2F)C1 2126626629 YAYQXKWAJRBTIK-UHFFFAOYSA-N 427.314 4.696 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(Br)cc2C#N)CC1(C)C 2181098621 OZAWVHLEXIBWFO-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE CCc1ccc(C#C[C@@H](C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)NC)cc1 2223369956 SHHRCHGMMDHXPG-LOSJGSFVSA-N 436.596 4.689 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CC[C@H](CC)N(C(=O)OC(C)(C)C)C1 2262206880 QBKKBNIFIWSSRY-OFVILXPXSA-N 447.572 4.799 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2ccc(Br)cc2)CCC2(CC2)CC1 2296274459 UGSTVWOJOJQKJI-GOSISDBHSA-N 434.374 4.779 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2296310520 KSWPKGMQNIQWGC-QAPCUYQASA-N 449.311 4.624 30 10 IJEE CC(=O)c1ccc(NS(=O)(=O)c2ccc(NC=CC(=O)c3cccs3)cc2)cc1 2296667808 LATACXPLQZWKJC-UHFFFAOYSA-N 426.519 4.560 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)C)cc1 2296931439 MUJQIMGPFHXIBT-QHCPKHFHSA-N 438.543 4.713 30 10 IJEE O=C1Nc2cc(C(=O)NCc3ccc(F)cc3)ccc2NC1=CC(=O)c1ccc(Cl)cc1 2297341556 LSTAQUSSBLHEKD-UHFFFAOYSA-N 449.869 4.540 30 10 IJEE COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccccc2)C4=O)cc1OC 2297596157 UAXMNWLHNZMJJV-GOSISDBHSA-N 428.440 4.761 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1nc2ccccc2s1 2297709580 HGONMDRPFMBTBY-KRWDZBQOSA-N 440.525 4.582 30 10 IJEE CCCN[C@H](C#CC1CC1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2300408200 ZDYKCXZSJRMOPL-BVAGGSTKSA-N 426.601 4.612 30 10 IJEE C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317349969 LQMFLDJDVIWXKA-SJORKVTESA-N 432.370 4.797 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C 2321299711 BGJCGDWFJVGIER-ZRAZWPEBSA-N 446.632 4.524 30 10 IJEE COc1ccc(CCc2nnc(S)n2N=Cc2ccc(Cl)cc2Cl)cc1OC 2322232037 LJGOMEAUAYPSGP-UHFFFAOYSA-N 437.352 4.558 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3c(OC)cccc3OC)cc(C)c2C1=O 2322748860 JJNXAELCXCOHSK-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)ccc2C)ccc1OCC(=O)NCc1ccccc1 2323959859 RNMYJNVTMXZUAO-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1cc(OC)ccc1OC 2325730170 JVCLCHFITFWJNY-QFIPXVFZSA-N 432.605 4.869 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(O)c(OCC)c1 2329740880 DQCWVYKJHPTIBS-UHFFFAOYSA-N 426.517 4.663 30 10 IJEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330119027 JXCFXHZYUKTFFA-AWEZNQCLSA-N 428.945 4.958 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2cccs2)c(O)c1 2330583346 KMZKQHSJYNHVJE-UHFFFAOYSA-N 426.498 4.731 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2C)cc1C 2330894203 QHJYIQSTULJPBK-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)ccc1O 2331077962 YJPOBDYERYHLPY-UHFFFAOYSA-N 437.525 4.767 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccccc1F 2331320382 HFKLRFZOCFLESL-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE COCC(=O)Oc1c(Br)cc(C=CC(=O)c2cc(C)ccc2C)cc1OC 2331326118 CXPNDIZQLIMGQK-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)COCc3ccccc3)cc2)c1 2331382251 PHWRZQPQDALPLR-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1sccc1C 2331406478 QMNSWPPKBKSYSM-UHFFFAOYSA-N 436.485 4.952 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2)o1 2331512316 XZBULXXZMJXWSX-UHFFFAOYSA-N 428.489 4.629 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C(C)C 2331711397 CTMALQQETWLYGP-INIZCTEOSA-N 427.599 4.623 30 10 IJEE C[C@@H]1CC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339599206 CMPLISOKRJSKMB-IEBWSBKVSA-N 444.381 4.893 30 10 IJEE C=C(I)COc1c(CNCC(C)C)ccc(C)c1Br 2352646926 ZCRUISMJQHCMLW-UHFFFAOYSA-N 438.147 4.831 30 10 IJEE CCCN[C@H](C#CC1CC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362766821 FTLJNIYDBAIPLZ-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE CC1(C)OB(c2ccc(N[C@H]3C[C@@H]4C[C@@H](OCc5ccccc5)C[C@H]34)c(C#N)c2)OC1(C)C 2364947961 CKLYJUGMFXMRHJ-UUMRBEHKSA-N 444.384 4.653 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1Br 10469604 RXVCSDCBJBRHFU-GOSISDBHSA-N 432.314 4.824 30 10 IJEE C=CCn1c(SCC(=O)NC(C)(C)CC)nc2scc(-c3ccccc3)c2c1=O 11297350 IHSQGCQFXMYWME-UHFFFAOYSA-N 427.595 4.708 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccc(C)c(C)c2)NC2Cc3ccccc3C2)n1 14159439 VAAOQLZHUOJKGQ-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(F)c(F)c4)C3=O)cc2)c1 34734048 MLRVBPXTEWVCNY-UHFFFAOYSA-N 446.457 4.921 30 10 IJEE COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 64874206 JUBKRBSMLOSSQY-JOCHJYFZSA-N 448.910 4.819 30 10 IJEE O=C(Nc1ccccc1F)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccccc2)S1 100411110 MOPONKTXUYNHIB-MONKAWABSA-N 433.508 4.986 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1 102715270 QVAWUGQAMPNHQP-LCPUNJGISA-N 438.867 4.661 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccs2)c(C)c1 170160618 QWDDHTPFORAKAB-QFIPXVFZSA-N 447.512 4.919 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1C 170163597 ABUAJBFFZADABY-OAQYLSRUSA-N 434.517 4.629 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccnc2)cc1 170197494 DSYWYOPHZIVKEC-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)cc1 170201874 OIWKOIFRGJYOCU-XMMPIXPASA-N 440.499 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 170235460 VZGHJFQRCXTMOY-IBGZPJMESA-N 438.823 4.620 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(O)c2)cc1 170259657 IXIAPBWKXAGQOZ-FYSMJZIKSA-N 441.483 4.807 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)ccc1OC(C)C 170292449 VZDSCIXDVMCKCK-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccccn1)c1ccccc1 170351229 NLHCOTBHSHOPFH-XMMPIXPASA-N 439.515 4.855 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2sccc2C)cc1Cl 170405817 NTBMLGGBNWZHCU-SFHVURJKSA-N 440.908 4.896 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 170417899 VOMQLCZYPFYOCA-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE N#CCCCCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226844586 AGUUZUKVPTVQRY-QFIPXVFZSA-N 438.549 4.795 30 10 IJEE N#Cc1sc(Nc2ccc(I)c(Br)c2)nc1Cl 310333116 CBSMPSIGBCKUPV-UHFFFAOYSA-N 440.491 4.779 30 10 IJEE COc1ccc(C)cc1C1(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCOCC1 435564549 IFDGMPQCESKHLR-UHFFFAOYSA-N 437.540 4.532 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 437386765 SKPYVPZBACNBMU-LJQANCHMSA-N 439.516 4.563 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 441831976 ZLSKFEWYBIKXLB-KKSFZXQISA-N 444.491 4.585 30 10 IJEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C1CC1)C1CC(c2ccccc2C)C1 525641103 UVTSRECNEUNZIT-UHFFFAOYSA-N 448.611 4.671 30 10 IJEE O=C(O)c1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 526802206 BVVYYBFDOXVIIE-YSMPRRRNSA-N 446.507 4.881 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2cccc(C)c2)c(Br)c1O 526807891 FSESYFMQKWWXEW-FBHDLOMBSA-N 447.358 4.546 30 10 IJEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccccn1 526820503 SLDWZTQSIAMXBY-XKZIYDEJSA-N 430.375 4.953 30 10 IJEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 537997996 MAXVHXROGIBXGT-FQEVSTJZSA-N 426.516 4.831 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 555249602 TWLXTLXMJZONCO-DEOSSOPVSA-N 446.551 4.587 30 10 IJEE Cc1cc(S(=O)(=O)NCC#CCOc2cccc3ccccc23)c(Cl)cc1Cl 585254404 KEIPOWSVPVVLJL-UHFFFAOYSA-N 434.344 4.816 30 10 IJEE COc1nsc([C@@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)c1Br 690141175 WQVRLFDGZKNHAO-CYBMUJFWSA-N 438.347 4.916 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccncc1 745827220 HOKOIHSEVVCIML-OALUTQOASA-N 447.320 4.850 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N[C@H]2CCSc3c(F)cccc32)cc1OC 762554499 DAAMZJAHTCYRKU-IBGZPJMESA-N 446.544 4.717 30 10 IJEE C=C(C)C[C@@H](C)C(=O)OCC(=O)Nc1c(Br)cc(C)cc1Br 767692790 YYKYCAZQVVZSCO-LLVKDONJSA-N 433.140 4.604 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 800628996 IAQIZFPAXUMGTF-UHFFFAOYSA-N 429.973 4.589 30 10 IJEE C#CC[C@H](NC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)c1ccccc1 801797990 PMGROPCQDBCUNG-IBGZPJMESA-N 427.430 4.540 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 804453107 BLNVTRLPIUUCNR-QFIPXVFZSA-N 446.547 4.921 30 10 IJEE COc1cc(Cl)c(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1C 808924993 CHYXJBHYBVSZTM-UHFFFAOYSA-N 439.924 4.512 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 811953044 IIMXPCQBMKLXFI-IMFGXOCKSA-N 430.545 4.733 30 10 IJEE Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(NN=C/C=C/c2ccccc2)n1 1083893698 RLNBUZFIQSCJHF-MPJFWOGISA-N 426.933 4.608 30 10 IJEE CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cc(C#N)ccc2F)c2ccccc2F)CC1 1126171695 GEMPVQCJNJAIJM-UHFFFAOYSA-N 441.478 4.883 30 10 IJEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)c1C 1126473566 DHSUWJFUNMAOAX-FQEVSTJZSA-N 439.560 4.629 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3cccc(F)c3)c3cccc(Cl)c3)cc2C1=O 1127231150 PSVUUBMAXWJADY-QFIPXVFZSA-N 448.881 4.781 30 10 IJEE C#CC[C@@]1(C(=O)N2[C@H]3CC[C@H]2CC(CC(F)(F)F)C3)CCCN1C(=O)OC(C)(C)C 1134420587 FLGLJXBJJNBJGE-FIKGOQFSSA-N 428.495 4.501 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 1137722096 WARZOCMVDFPIOS-JKSUJKDBSA-N 426.916 4.580 30 10 IJEE C#Cc1cccc(N(CC)Cc2coc(-c3ccc(I)cc3)n2)c1 1168104340 CVUZBXFUKCQSCP-UHFFFAOYSA-N 428.273 4.954 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)CCCN1C(=O)OC(C)(C)C 1183389294 PLJHAOLKSPNKFF-AREMUKBSSA-N 444.535 4.961 30 10 IJEE C[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C(F)(F)F)cc1F 1188547200 HMKRUARDLKNSFZ-SNVBAGLBSA-N 429.357 4.773 30 10 IJEE CCc1ccc2ccccc2c1CNS(=O)(=O)c1cccc(Br)c1C#N 1194601264 GEPLKWHSRJIFIT-UHFFFAOYSA-N 429.339 4.515 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@H](CO)CC(F)(F)F)cc1 1206442463 GOWRGDQUQXQKMZ-AWEZNQCLSA-N 429.851 4.798 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 1223905981 PMMBDGZWOIZQOJ-CPUCHLNUSA-N 433.350 4.994 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)cc(OC)c1OC 1225350460 KRLLPACIVPSGDA-OAHLLOKOSA-N 436.474 4.882 30 10 IJEE C=CCC1(CNC(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCCC1 1230962798 HLKOHZZYJORQNY-IBGZPJMESA-N 437.506 4.632 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCS1 1286281226 IDRPESVUINWASB-CHWSQXEVSA-N 425.421 4.513 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@H](OCC)C1CCCC1 1286404961 XTFMJWWEFXKBCV-QFIPXVFZSA-N 442.966 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)c1nc(C)cs1 1286433574 HPRIPWCDTAEOIM-HXUWFJFHSA-N 447.608 4.505 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccco1)N(CC)CC 1286442431 YXRJETIWUSCLDF-HSZRJFAPSA-N 444.583 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1286525268 OPMPAPBRDRLLCT-STWLZBDKSA-N 439.673 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1(S(C)(=O)=O)CCCC1 1286566893 KAQYKFCJCGHYIU-NRFANRHFSA-N 444.645 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1 1286568310 STDHIBBUUMCZQV-IBGZPJMESA-N 448.036 4.550 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1286584318 HBUCPKFOVQLMRM-MSOLQXFVSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)C2CCCCC2)CC1 1286666227 UEMVYCQLQYFDOL-DHIUTWEWSA-N 443.680 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](COC)C1 1286668979 YDYVQJBDIGMMPW-PKOBYXMFSA-N 444.645 4.585 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286669090 ZDACXKDHFXJIKS-OAQYLSRUSA-N 435.616 4.656 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286696875 TVWBKFBONXPIRT-HHXXYDBFSA-N 431.378 4.535 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CC1 1286737496 QDWJXQYUKDFCNB-HXUWFJFHSA-N 431.625 4.715 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1CC 1286748185 SHQMVPHWSBFSPE-LJQANCHMSA-N 437.613 4.692 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCC2(C)C)C1 1286805132 RBRQGQZOVCKPSN-DOTOQJQBSA-N 448.409 4.643 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@H]1C[C@H]1C 1287605028 CGXKOGVHQUZVEH-NQIIRXRSSA-N 447.587 4.583 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3NC(=O)C[C@H]3C=CCC3)n[nH]2)c1C 1293135081 SIAZTEADAQUTFQ-SFHVURJKSA-N 444.539 4.623 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1293346432 CEEPHSOSIZZRNK-HLLBOEOZSA-N 434.371 4.807 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](OCC(C)C)C1 1300349800 ZPTQICMQEGNEGM-FQEVSTJZSA-N 445.405 4.762 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1300357916 BHEXXMAHSQHODO-GOTSBHOMSA-N 446.599 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C(C)C)N1CCCC1 1300815698 AUVXEIYPGFWOIS-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1sc(C)nc1C 1300924726 HTKNALXQALPCOR-UHFFFAOYSA-N 425.602 4.998 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOC[C@@H](C2CCC2)C1 1300980258 HAMOQHLOVYSADV-SFHVURJKSA-N 448.970 4.583 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1)c1ccccc1 1301008937 DQTFHLLVNSRQBR-UHFFFAOYSA-N 435.616 4.561 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccnc(SC)c2)CC1 1301134222 GIAWXKGBRNKPLR-UHFFFAOYSA-N 449.624 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1301143261 GSGZJRCDSZASSW-HXUWFJFHSA-N 447.583 4.938 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1301165741 JKQCRGKCNUPMBF-FQEVSTJZSA-N 448.596 4.927 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301235308 ZDVWKPCUBZRSQP-LJQANCHMSA-N 438.601 4.920 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Br)n1CCOC 1301359486 KQASBEJKUQYDML-UHFFFAOYSA-N 433.375 4.608 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1nc(C(C)(C)C)cs1 1301394884 SUTHPYIAJZHXDB-UHFFFAOYSA-N 428.631 4.615 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2N(C)CCCC2(C)C)C1 1301541841 FBLMIOBCEPXZTF-LEWJYISDSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2ccsc2)C1 1301543503 ZPAGUXWGCMYKEZ-GOSISDBHSA-N 444.988 4.693 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(F)F)C1 1301618325 OWKAXOQNTRXJPV-GOSISDBHSA-N 436.572 4.875 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](c1cccs1)N1CCCC1 1304524382 HJSYFCDDSWSCCM-GHTZIAJQSA-N 434.613 4.748 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN([C@@H](C)c3cccc(OC)c3)CC2)cc1OC 1308586330 YJSDVYPGKUKXNG-SFHVURJKSA-N 430.976 4.801 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 1310862093 CYIKTIZMMQHVAD-LPHOPBHVSA-N 444.373 4.971 30 10 IJEE C=CCC1(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCCC1 1347776305 JCIJYDXGZMVTNV-UHFFFAOYSA-N 425.451 4.789 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C 1347796182 DKCFTNUGJGCKFJ-UHFFFAOYSA-N 447.501 4.973 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCc1ocnc1C(=O)OC)c1ccc(C)c(C)c1 1352124368 DZMXFWLOXWXNOK-UHFFFAOYSA-N 448.519 4.809 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c(C(=O)OCC)c1C 1353745730 BDZYGAFXQGXCQB-INIZCTEOSA-N 445.562 4.540 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2ccc(Cl)c(C#N)c2)(c2ccccc2)C1 1354057126 DQHFCSSKYLAGEV-QHCPKHFHSA-N 425.916 4.729 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccccc3F)cs2)CCCN1C(=O)OC(C)(C)C 1355791882 WHWCLYMSGNETJS-QFIPXVFZSA-N 429.517 4.681 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1CCN(CCC(C)C)CC1 1358885122 DIZYBYFTLFPDTC-FQEVSTJZSA-N 432.616 4.642 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1CCCc1nc2c(s1)CCCC2 1358944825 JPGRMLZLDMANBW-UHFFFAOYSA-N 425.989 4.636 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCSC(C)C 1358969673 UDWOOLGDELAZLN-IBGZPJMESA-N 445.032 4.903 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)CCc1ccc(Br)cc1 1359049182 JZCCPSFOHFNSBC-MRXNPFEDSA-N 435.435 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN(C(C)C)C1 1359108256 HCJZSCVPZFAVLX-NRFANRHFSA-N 447.631 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)OC)CC1 1359185487 YDULPQVATLAFFL-UHFFFAOYSA-N 439.604 4.733 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359200706 OBCNBIAPOZUCDA-UHFFFAOYSA-N 435.597 4.634 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1359202058 IAIVREIVQOLBRC-HXUWFJFHSA-N 448.615 4.904 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359202095 IUZXXNHKMNYMMJ-WOJBJXKFSA-N 434.588 4.875 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCO[C@@H]1CCCC[C@H]1C)C1CC1 1359247870 RUVXCDGZGWJVLT-DYESRHJHSA-N 425.533 4.603 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H]1CCCCN1CC 1359254592 WUMRTMPDWQPKFY-OAQYLSRUSA-N 425.621 4.651 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@@H]1C[C@@H]1C 1359262067 GIKSOEMFDATVRF-MAUKXSAKSA-N 440.569 4.806 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCCn1nc(C)cc1C 1359264191 XCRRLEPRRDPAIJ-OAQYLSRUSA-N 440.617 4.677 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)N(C)C 1359275935 LOVLWZXMWLFOHC-LJQANCHMSA-N 427.618 4.768 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2sccc2C)C1 1359324818 SCOUJGXQXWTFQY-FQEVSTJZSA-N 438.597 4.673 30 10 IJEE C#CCN(C(=O)C/C=C/c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1360310599 IZMNFKJQLYNLTL-WUUFJKRQSA-N 428.301 4.977 30 10 IJEE C#CCN(C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 1442749347 BMVYIDHRIIPYLA-UHFFFAOYSA-N 430.548 4.710 30 10 IJEE C#CC[C@]1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCCN1C(=O)OC(C)(C)C 1443040788 CFNTXHPQQWTRML-XMMPIXPASA-N 430.976 4.671 30 10 IJEE C=C(C)CNC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 1448022506 NDYZXQWGUPVFLH-UHFFFAOYSA-N 436.577 4.734 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1c(-c2ccc(Br)cc2)noc1CC 1456449547 QBEAVDNQATXHPV-UHFFFAOYSA-N 439.309 4.609 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Br)c(F)cc2Cl)c(OC)c1 1457385137 JTFVLRAXJNFTMR-UHFFFAOYSA-N 428.685 4.996 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnn2Cc2ccccc2Cl)nc2ccccc21 1458759693 QRCVUKTWCXNTRQ-UHFFFAOYSA-N 437.956 4.851 30 10 IJEE C=CCN(CCC#N)CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 1460148983 CTAKIRGRVPMVST-UHFFFAOYSA-N 430.371 4.940 30 10 IJEE N#Cc1ccccc1COc1cccc(CNCC2(N3CCSCC3)CCCCC2)c1 1461204074 CVMOEBBUIHYLSK-UHFFFAOYSA-N 435.637 4.979 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 1464921935 ASLPLMDVSSDNTG-HUUCEWRRSA-N 432.735 4.710 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 1465961090 YJJMCGIHEVCKHJ-HNNXBMFYSA-N 436.858 4.580 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 1468823982 OTXMUKYHTJGCAJ-IBGZPJMESA-N 433.474 4.604 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1)c1ccccc1 1469383255 HQVHNBQTXVNOHM-HSZRJFAPSA-N 446.572 4.825 30 10 IJEE C#CCN(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCCc2ccccc21 1469775078 ATFKFEXWLDXACO-OHSXHVKISA-N 434.555 4.622 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1474770802 PWFJKXFCLWKPTL-UHFFFAOYSA-N 449.754 4.552 30 10 IJEE COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cccc(CC#N)c1 1474893231 CEHFEOWWRIQUFS-HXUWFJFHSA-N 434.561 4.583 30 10 IJEE C=CC[C@@H]1N(C(=O)Nc2ccnn2Cc2c(OC)cc(OC)cc2OC)CCCC1(C)C 1476468718 XLTADILAXYXVAK-NRFANRHFSA-N 442.560 4.556 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 1477387202 FYFKDLFKHOKRKZ-AREMUKBSSA-N 442.538 4.751 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1477912191 FBJPGGSFVYSXNG-SFHVURJKSA-N 439.556 4.837 30 10 IJEE CCC[C@H]1CN(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)CCN1Cc1ccccc1 1477923795 FYWDBWVYXZHCCA-BJKOFHAPSA-N 434.584 4.564 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507559259 ZEXWLXMLIBLSIU-KRWDZBQOSA-N 445.489 4.568 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1507572993 BZCZZKZTKWAUOC-AZUAARDMSA-N 442.991 4.738 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1nc(C)cs1 1507679022 FWMYRUTYUYMSMF-WBVHZDCISA-N 427.549 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC(C)(C)[C@H]1C 1507795802 KELQMFAORQGBCG-KPFFTGBYSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)CCC 1507797570 SDNHNKDAIDEHLN-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)C1 1507797678 SJCRYOZTXCNFGO-YRNRMSPPSA-N 449.020 4.530 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1507840223 YEVBHEWKOLFBRK-NSHGMRRFSA-N 444.645 4.585 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](C)N(CC)CC)CC1 1507897781 QRTLAGTVPGIDNQ-QGZVFWFLSA-N 432.012 4.740 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507918248 DKNIDEWCEKNFDD-YADHBBJMSA-N 439.648 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCN(C)c1ccccc1 1508007583 FECDZHOFYDQQSF-HXUWFJFHSA-N 437.613 4.563 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC=C(Br)C1 1508061951 HLUKLDLRWIKBEC-UHFFFAOYSA-N 431.378 4.964 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H]2CCSC2)cc1 1508096925 LLEMLKGIICUQIO-SFHVURJKSA-N 441.988 4.548 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1508158988 JFKASWLYESVPQA-KRWDZBQOSA-N 447.674 4.797 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 1520236041 FVCSUAOEJQWXDV-UHFFFAOYSA-N 445.332 4.671 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1520345425 JXHCLDDHVLTTAO-PEZBUJJGSA-N 430.426 4.930 30 10 IJEE C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)c1ccc(S(=O)(=O)CC3CC3)cc1)c2C#N 1527031411 AYJIGMOGBVYCOM-KGLIPLIRSA-N 428.579 4.742 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)cc2)cc1 1528625497 HGORGTSIIRKMMB-UHFFFAOYSA-N 442.450 4.607 30 10 IJEE C=CCc1cc(C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)cc(OC)c1OC 1535924908 BIMLSVRNBQDUOR-CQSZACIVSA-N 430.342 4.782 30 10 IJEE C#CCN(C(=O)c1cccc(F)c1I)[C@@H]1CCCc2ccccc21 1538323655 HJPKVCWTCZCUBT-GOSISDBHSA-N 433.264 4.583 30 10 IJEE N#Cc1cccc(OCC(=O)NCC2(c3ccc(Br)cc3)CCCCC2)c1 1538967924 HOMDWAHKVPNHCG-UHFFFAOYSA-N 427.342 4.718 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCc1nc(C)cs1 1539011390 FBEKZFVTGFJMSR-KRWDZBQOSA-N 428.005 4.768 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C)[C@H]1C 1539524924 QLPRSHVPXJYJLA-PKOBYXMFSA-N 447.048 4.853 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1539670847 AZOBMUOGKJOCMJ-SKPFHBQLSA-N 429.008 4.866 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1539729516 QLFCMUFBWXASHH-IRXDYDNUSA-N 449.368 4.532 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(CC)cc2)CC1 1539836340 RMDQWERHBBVLDN-UHFFFAOYSA-N 440.389 4.997 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3)[C@H](C)Cc3ccccc3)cc2C1=O 1539862434 LWROAKZIMFOZJO-HXUWFJFHSA-N 438.527 4.742 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccsc2)CC1 1539875013 NMDVVDBAWHJPNQ-UHFFFAOYSA-N 432.391 4.558 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[C@@H]21 1539916486 LDKRVCAYZOCDGE-ZCNNSNEGSA-N 443.636 4.984 30 10 IJEE C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1540012561 QPRHPHBNEGBHSI-SFHVURJKSA-N 447.505 4.864 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCO[C@H](C)C1 1540909178 ABEYFFCRPXBLDJ-QUCCMNQESA-N 430.618 4.569 30 10 IJEE C=CCCCCCCNC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1544262758 FQZZASJNBVGGPC-UHFFFAOYSA-N 445.283 4.915 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2c(F)cccc2I)C(F)(F)F)cc1 1544661644 SAYMUSMCPLLBNU-HNNXBMFYSA-N 448.153 4.872 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H]2CCCN2CC2CCCCC2)cc1 1558927541 AKUUKLMNAFLWQD-VWLOTQADSA-N 431.580 4.912 30 10 IJEE C=CCc1cc(CNCC2=Cc3cc(Br)ccc3OC2)cc(OC)c1OC 1560322050 NEHCGPLLMYGDKL-UHFFFAOYSA-N 430.342 4.760 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc3sc(C)nc3cc2OC)cc(OC)c1OC 1562310982 LTFLUUDOVUUCGU-UHFFFAOYSA-N 427.526 4.681 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)CCCC1 1562779827 HNHKTAVOJFLKKY-UHFFFAOYSA-N 443.285 4.848 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 1563154955 SSCBKOVJOZXVOU-UHFFFAOYSA-N 432.427 4.558 30 10 IJEE CCCc1c(NC(=O)c2cc3c(nc2O)CC[C@@H](CC)C3)cnn1-c1cccc(C#N)c1 1567770161 RYFFAWPITBKUSK-MRXNPFEDSA-N 429.524 4.564 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(OC)c1 1584469278 XIKOQPNKAHTXOP-FQEVSTJZSA-N 448.588 4.848 30 10 IJEE C[C@H](CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)C1CCCCC1 1585534077 ICKFVXKMBQVZFI-DYESRHJHSA-N 432.406 4.764 30 10 IJEE N#Cc1ccc(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1Cl 1585970006 FDKPCXWKCDJHGY-UHFFFAOYSA-N 437.887 4.590 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1587884321 VCMHXVOFVRJABE-OAQYLSRUSA-N 449.624 4.524 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1sccc1C 1588200228 IFWLYFBUQLMIPK-UHFFFAOYSA-N 448.592 4.622 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(OC)C1CC1 1589171766 RPDFYIOPCXBLHS-YADHBBJMSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC1CC(F)(F)C1 1589358639 XJEAYBVJGRYNGN-UHFFFAOYSA-N 448.315 4.883 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C(C)C)C1 1593844501 BSWBECUXHFCVQE-HNNXBMFYSA-N 439.785 4.951 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1594693246 VARWZHVVZIOWEW-RTBURBONSA-N 445.405 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N(C)C1CC1 1595185376 XZGHFJSGSBYVLZ-GOSISDBHSA-N 425.646 4.937 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC2(C)C)C1 1595744569 MUTMEANQMXAPJZ-UNMCSNQZSA-N 438.616 4.982 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCC1CC1 1595877810 BAPKXSVCSMGAFR-UHFFFAOYSA-N 449.665 4.548 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)C(=O)OCC 1596777796 LQANRYWDFQOMHZ-MRXNPFEDSA-N 443.714 4.985 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCCC1(C)C 1606951509 FSVKLORGMRAJRW-VWLOTQADSA-N 434.588 4.524 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1 1610893120 AQBFKCCLKYRMEN-UHFFFAOYSA-N 439.515 4.517 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccc(C(F)(F)F)cc1 1623620700 NYBAEHLOWOUYPP-HSZRJFAPSA-N 445.529 4.890 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 1624048566 ZQDRMTNJUIDBSR-IBGZPJMESA-N 428.414 4.716 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1625821687 RACQPOWLGJEILB-KRWDZBQOSA-N 430.957 4.799 30 10 IJEE C=CCOC[C@H](NC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@@H]12)C(=O)OC 1626205018 TXPXTZIPTMRGKW-XXETWWQQSA-N 443.628 4.982 30 10 IJEE N#Cc1cc(F)cc(NC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1 1626924823 CVSBSSDRCUZZGZ-UHFFFAOYSA-N 425.467 4.931 30 10 IJEE C=C(Br)CNC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 1630505214 ACLWCMXNCUQOJM-MRXNPFEDSA-N 442.126 4.885 30 10 IJEE C=CC(C)(C)CNC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1635383169 FSAQIVZVYGLCDA-UHFFFAOYSA-N 432.564 4.976 30 10 IJEE C=C(CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1651075306 SUKBKTORYVKNSK-UHFFFAOYSA-N 427.353 4.799 30 10 IJEE CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN1CCN(c2ccccc2C#N)CC1 1652098016 DXVOHXHLGPKEGZ-UHFFFAOYSA-N 433.987 4.902 30 10 IJEE C=CCn1c(SCc2ccc(C#N)cc2OC(F)F)nc2sc3c(c2c1=O)CCC3 1652447409 LPPHVRGSLIJHOO-UHFFFAOYSA-N 445.516 4.898 30 10 IJEE C=CCn1c(SCc2ccn(CCc3ccccc3)n2)nnc1-c1cccc(OC)c1 1652701672 XAEKYFWTQQEKGZ-UHFFFAOYSA-N 431.565 4.871 30 10 IJEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(c2cccc(Br)c2)CC1 1654281021 IFYCMRYCJKMYBU-GOSISDBHSA-N 440.385 4.964 30 10 IJEE COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1658744006 HLGRVNQUDCCAPQ-AZUAARDMSA-N 442.560 4.600 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 1667557185 FDVPQULHRZSDMW-FPOVZHCZSA-N 433.618 4.816 30 10 IJEE CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)n[nH]1 1671278941 IELSCPZXEYAXRO-HUUCEWRRSA-N 434.548 4.556 30 10 IJEE C=CCCSCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 1674228028 FYGBPIZEJNJYPJ-QHCPKHFHSA-N 426.582 4.670 30 10 IJEE C#CC[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)c1ccccc1 1677240418 LQTCWKIWCVOSIT-GOTSBHOMSA-N 439.987 4.556 30 10 IJEE C[C@@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H]1CCNC(=O)OC(C)(C)C 1679256762 FBOMTNZBYJCKEK-HLAWJBBLSA-N 428.577 4.756 30 10 IJEE C=CCSCCNC(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1680017928 VHPMHFBRSTZANU-HXUWFJFHSA-N 429.586 4.624 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1683579718 PMUDDUHNQZQIQV-SFHVURJKSA-N 427.570 4.812 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1683676786 VOPRLSYQFDLRBN-XXBNENTESA-N 431.964 4.589 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1)c1ccccc1 1685798735 FFNLTDXHNNDDRF-QFIPXVFZSA-N 438.572 4.635 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](OC)c1ccc(F)cc1 1689951019 JSDFABKVJZTTNF-OXQOHEQNSA-N 438.572 4.728 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1690059045 HPZFNMJTNOMEHL-INIZCTEOSA-N 433.503 4.803 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(OC)CCC(C)CC1 1690059693 VSVMRXDNKSULDH-IQJRZOLZSA-N 428.552 4.612 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1CC 1690095551 UNYLTAVHQXVKSX-IEBWSBKVSA-N 445.405 4.620 30 10 IJEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCc1cccs1 1690169810 OYAVGKYKBBOIPW-UHFFFAOYSA-N 435.622 4.544 30 10 IJEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1690173073 VGZNOUDNQMROKK-SFHVURJKSA-N 429.659 4.876 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(COC)CC1 1690237787 AOVXVYXJMIBAEX-TZIWHRDSSA-N 445.007 4.833 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@@H](C(C)C)C1 1690287424 ACUNIFJBWVPBKB-RTBURBONSA-N 449.665 4.547 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(F)c(Cl)c2)CC1 1690413374 QILXABXDZGAHTO-UHFFFAOYSA-N 431.968 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1oc(CC)nc1C 1690588404 UWKSPANBBHNUJO-UHFFFAOYSA-N 427.936 4.693 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCC[C@@H]1C 1705605598 ORABFZIGBNQMGX-NYHFZMIOSA-N 428.989 4.824 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](CC(C)C)N(C)C 1705669223 GQXUQUAFJSZKCC-JIPXPUAJSA-N 444.627 4.770 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCn1cc(Cl)cn1 1705712286 ORNISADVSDRJFE-UHFFFAOYSA-N 435.359 4.560 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nccs2)CC1 1705764648 HKMXIUMIDJYEMX-UHFFFAOYSA-N 434.338 4.508 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](CC)N2CCCC2)CC1 1705777037 VYEYSRNWABXBSN-FPOVZHCZSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1705788404 ZSEATJCWLBAWAP-HSZRJFAPSA-N 430.980 4.826 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1705797579 YPIZXZRETNLDJK-VXKWHMMOSA-N 446.599 4.879 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1705944509 JHSPCJQWEDUUIG-JOCHJYFZSA-N 444.608 4.590 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCCCC1 1706070154 IAVKACYDUVIHJM-MRXNPFEDSA-N 432.975 4.598 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1711542694 AORNSLGFHDTBFD-FPGHNAPASA-N 443.567 4.538 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1722324131 LHVHVUIYJFOHHO-NYVOZVTQSA-N 440.563 4.755 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H](c1cccs1)N(C)C 1722417564 LTUVKNOOQCHTQH-FQEVSTJZSA-N 425.577 4.545 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCCc1cccc(C)n1 1722423226 YEYQHOOROZHKTM-XMMPIXPASA-N 447.558 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)C[C@H]1CC 1722496636 MRHZXJMDITXBPV-CFKGEZKQSA-N 440.588 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)CN1CCCC1 1722498235 SXKQKDOJRQAHGA-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCN1CCC(C)CC1 1722498315 VXRMWZNENAOLEP-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N(C)Cc1ccc(Br)s1 1722527213 BUMKHKPMVDLXKE-AWEZNQCLSA-N 427.412 4.845 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1722601713 KWVDDZAGTNXQAO-OAQYLSRUSA-N 440.588 4.572 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1722606504 AJWSMCLJRWQQIG-LJQANCHMSA-N 428.487 4.588 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCOCC(=C)C)C1CC1 1722646137 IWXFMDWPUGIISU-UHFFFAOYSA-N 435.341 4.594 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CC=CCC1 1722679334 XIZDNZFIUOXPFX-OAHLLOKOSA-N 437.407 4.764 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccsc2)cc1 1722891464 CYTABJKWPORGSF-QHCPKHFHSA-N 439.560 4.706 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CCOc1ncccc1Cl)C(C)C 1723432625 ARKVIQNHQMIPPC-UHFFFAOYSA-N 438.963 4.815 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1cccnc1)C(C)C 1740631907 DSHLIZWIEJADNZ-VWLOTQADSA-N 448.574 4.709 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(Cl)cc1 1740633610 NXPANDJEKNFKTF-KRWDZBQOSA-N 434.996 4.906 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1740648874 LCYPSKOXIWUSSE-SONWIMMPSA-N 448.611 4.559 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C)s1 1740665931 WEJMBGOCQXOUMW-UHFFFAOYSA-N 433.350 4.724 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1coc(-c2cccs2)n1 1740674786 SXYDAPBXKLLCHB-UHFFFAOYSA-N 447.564 4.698 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(Cc1ccnn1C)C1CC1 1740712424 HYNKXPZJQHGPED-UHFFFAOYSA-N 448.640 4.512 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1Cc1cccs1 1740718767 ALASHKLANYESQU-IBGZPJMESA-N 440.613 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@@H](c1ccccc1OC)N1CCCC1 1740725557 RXMCXQVWFDOGSK-LIXHSBQKSA-N 435.616 4.629 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(SC)CCOCC2)CC1 1740837159 QRKPOKYJFVKNKN-UHFFFAOYSA-N 426.630 4.822 30 10 IJEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)c1cccc(C)c1)C1CC1 1740912988 ZZPUGFKQLVWOIN-SFHVURJKSA-N 435.597 4.537 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCN2CC)C1 1740974074 BJLNXEYVFVOUGO-XZOQPEGZSA-N 437.632 4.508 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(CC2CC2)n1Cc1ccsc1Br 1741517465 DRSKSYAICGMTAO-UHFFFAOYSA-N 436.423 4.869 30 10 IJEE C[C@@H]1CCC[C@@](Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)(N(C)C)C1 1743015768 BDVCVMBOETWFPP-FQRUVTKNSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1cscc1C 1748648854 FVYJJODYVATFOL-CYBMUJFWSA-N 433.350 4.723 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1748908147 ULUOLVYQJCJYJK-WAOWUJCRSA-N 430.980 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749069182 VMGBCVNAMNKYGN-GKBBYZSKSA-N 437.607 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](OC)C(C)C 1749073453 PSGYEPWJIPDTJI-JYFHCDHNSA-N 438.616 4.952 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](CCOC)C1 1749085582 BVQXIKINYHOATK-PKOBYXMFSA-N 433.394 4.591 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCCCCC1 1749165907 SEGSLCTWILIRFA-UHFFFAOYSA-N 425.621 4.752 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CC[C@H](C)C2)CC1 1749303677 NDTQWPPZAFVOSX-VQTJNVASSA-N 443.636 4.985 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@H]1C 1749386937 OREUFNCEACAXSG-QTEQDKRBSA-N 440.588 4.646 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCSC1(C)C 1749486948 KXXAHDRVMQEWTO-QZTJIDSGSA-N 449.665 4.547 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2sc(C)nc2C)C1 1749697447 KLKHTUWOTCZSIL-RTWAWAEBSA-N 437.613 4.723 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC1CCC(OC)CC1 1760101493 QKXOXBDPIXMSKH-VXESANQCSA-N 445.405 4.761 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H]1CCCCO1 1760215322 WOUBVQDZWTZEBH-SFHVURJKSA-N 431.367 4.674 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1CCc2ccccc21 1760225814 AIEHWYGXYCWNFB-QGZVFWFLSA-N 438.373 4.615 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)CC 1760275805 JEDGPFUPNUOSAP-CYBMUJFWSA-N 427.437 4.618 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)C(C)C 1760315604 GYBVHNXDHUFCTM-PKOBYXMFSA-N 433.394 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760317455 GHTCQCYJZCKAMB-GIVPXCGWSA-N 445.007 4.831 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2nccs2)CC1 1760382168 KMFYWQYDEVEHML-MRXNPFEDSA-N 429.977 4.927 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1760385904 CVYWNJGDTBIGKE-UHFFFAOYSA-N 429.446 4.572 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1760446267 MGIPNCSBXJMINN-UHFFFAOYSA-N 426.605 4.884 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)Cc1cccs1 1760495043 DBQLNLDOKLSVJL-GCJKJVERSA-N 436.581 4.909 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCC[C@H](O)C1 1760498148 GUKVPFGSMKDTNC-GGAORHGYSA-N 434.584 4.887 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@]1(N(C)C)CCSC1 1760498866 HKWSYTYLLYBPIG-VWLOTQADSA-N 441.689 4.539 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1csc2ccccc12 1760504287 NNVGOQXKLCAMSD-UHFFFAOYSA-N 439.972 4.895 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)=C(Br)C1 1760506281 BLOLBMFVTRPHCZ-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1765753712 AVYGZZGSTKBVJE-UHFFFAOYSA-N 428.462 4.905 30 10 IJEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1770385812 CBMFLMBOZRHQBH-DBXWQHBBSA-N 425.577 4.533 30 10 IJEE COc1ccccc1/C=C1\SC(=NN=Cc2ccccc2O)N(Cc2ccco2)C1=O 1772757937 VNSKGZIZNPEEIJ-VSVFQZKGSA-N 433.489 4.500 30 10 IJEE C=CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1ccccc1C(=O)O 1772761629 CBKNBPWZRUSJFE-UBLAJHMLSA-N 443.322 4.937 30 10 IJEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1ccccc1C#N 1858846742 SYMVDYCKGBSQAV-KRWDZBQOSA-N 443.507 4.874 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1 1862385385 NYYSVRTXGMKTGT-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1F 1862416180 DRHJDTZHWQCYOD-LJQANCHMSA-N 429.806 4.990 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)c1 1862431955 SCSCUNBSIYSCRZ-QFIPXVFZSA-N 449.890 4.838 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc([N+](=O)[O-])c1 1862547472 WCRDHTXGUXMDLG-JOCHJYFZSA-N 434.492 4.708 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2c(c1)CCCN2C 1862552685 BNEWAZAEYCABGD-VWLOTQADSA-N 444.575 4.935 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862557989 OIQHNYFKDLQBHR-QFIPXVFZSA-N 449.507 4.868 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)c1 1862659896 FQIWRCISPLFZDZ-HSZRJFAPSA-N 429.520 4.663 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862716379 FSMFUHKFVPBMPS-JLCFBVMHSA-N 446.459 4.830 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc(F)c1 1862735417 KELOLBPTSGPHRI-YFZFPPMRSA-N 438.455 4.891 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OC)cc1 1862741464 SRLYSUFEFMKDGB-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCCCCCCCCCNC1=C(c2c[nH]c3ccccc23)C(=O)N(CCN(C)C)C1=O 1863815919 PNTFDUCPJUZBNK-UHFFFAOYSA-N 438.616 4.540 30 10 IJEE Cc1ccc(-c2nc(Nc3ccc(C#N)cc3)cc(N3CCC(c4ncncn4)CC3)n2)cc1 1868329501 DJQCMSWZFKKPRP-UHFFFAOYSA-N 448.534 4.636 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)CCCOc1ccccc1 1870144736 JVNDCVQWFITPKN-UHFFFAOYSA-N 439.475 4.729 30 10 IJEE C=CCOc1cn(CCCOCCCC)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870810441 CRPMYVNGPGEFEZ-UHFFFAOYSA-N 449.935 4.794 30 10 IJEE C=CCOc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870811288 SEGTVHVHKIRNMO-UHFFFAOYSA-N 432.568 4.721 30 10 IJEE C=CCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870861860 XVOAWDQEIRWFCO-UHFFFAOYSA-N 437.927 4.837 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc(Cl)c1)C3=O)CN(CCCCN(C)C)CO2 1871354917 IBUMVMUZLCHLGH-MTJSOVHGSA-N 426.944 4.758 30 10 IJEE Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871373640 BBBHLQXNHOGOQL-JMIUGGIZSA-N 446.371 4.647 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCOc3ccccc32)C1=O 1871396295 ZIZBLIGCWONCLJ-IWIPYMOSSA-N 429.472 4.806 30 10 IJEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871414785 OWTOBGWGPWZHPF-UCQKPKSFSA-N 447.443 4.986 30 10 IJEE COc1cc(/C=C2\Oc3cc(OCC(=O)C(C)(C)C)cc(C)c3C2=O)cc(OC)c1OC 1871419265 HHURYLBIGPUIFP-NVMNQCDNSA-N 440.492 4.631 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 1871456440 FORAUDHSFYCAPJ-XKZIYDEJSA-N 444.443 4.845 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(=O)(=O)C1CC1 1871795444 LHQVYDQJHAFIQA-IBGZPJMESA-N 439.364 4.653 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872226275 VEPXTDMBEXSMJS-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(OC)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872329582 CEQQEVJWUSSHNI-WMZHIEFXSA-N 444.597 4.624 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(Cl)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872453975 OZFCFJATDPBQOH-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872507301 KNIRLCUXHVUTSC-LIRRHRJNSA-N 441.018 4.940 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](C)CC 1872613996 WYEVSDIJYYMHJJ-GHTZIAJQSA-N 428.614 4.776 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2cccc(OC)c2OC)cc1 1874257672 MSGDWWVWKXSHBR-BUVRLJJBSA-N 440.569 4.821 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1cccc(F)c1 1874489515 VXJJMTRAIUXTFN-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCCOc1cccc(/C=N/n2c(CC)nnc2SCC(=O)Nc2cccc(C)c2)c1 1874523714 CEQYHVJQVFETEF-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1/N=C/c1cccn1C 1874540009 DGRRENYDUIJEMW-LPYMAVHISA-N 438.384 4.929 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)cc2)cc1OCC 1874565651 MYIQJQOWMGVIOJ-YDZHTSKRSA-N 446.960 4.869 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)cc1OCC 1874565740 RPAINNXOTLAPQO-PCLIKHOPSA-N 432.549 4.990 30 10 IJEE CCOC(=O)c1ccc(COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)o1 1874597091 UAXJLCRRXWQWEV-RMKNXTFCSA-N 434.444 4.703 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC)c(Br)c1OCCCO 1874599516 QCDWCNWDLSESTM-SOFGYWHQSA-N 449.341 4.740 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(C)c2)cc(Br)c1OCCCO 1874619928 AALXHKVJTAPUFH-VMPITWQZSA-N 437.305 4.953 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc([N+](=O)[O-])c1OCCCO 1874633610 LTVBNQGGNULILT-VOTSOKGWSA-N 449.887 4.621 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875153751 VVWIWCXIXXDSQL-RCHCNPRSSA-N 440.467 4.552 30 10 IJEE Cc1cc(C#N)ccc1[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951657154 KYYIJNHZGKHCRO-HSZRJFAPSA-N 426.472 4.574 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1(C)C 1981684290 DOZZOMQCHCRICO-BFUOFWGJSA-N 435.487 4.619 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CNCc1cc(Br)cc(Br)c1 1991587183 XSINRMWIVSXMSA-UHFFFAOYSA-N 448.199 4.772 30 10 IJEE C[C@H]1CN(Cc2ccc(Br)cc2C#N)C[C@@H](C)N1C(=O)OCc1ccccc1 2054190213 CLTGHQZWKKOERM-CALCHBBNSA-N 442.357 4.552 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 2081876812 OZAMOUGXKFJXJK-UZUQRXQVSA-N 449.523 4.532 30 10 IJEE C[C@@H]1C[C@@H](Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)C1 2107451494 VNILGLGKTWMKJA-OCCSQVGLSA-N 426.330 4.907 30 10 IJEE Cc1nsc(C(=O)Nc2ccc(C#N)cc2Br)c1NC(=O)OC(C)(C)C 2124687605 HIMXSYVQFIYOPR-UHFFFAOYSA-N 437.319 4.685 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 2145529278 QWXWEWBOZZYYKA-WOJBJXKFSA-N 437.422 4.975 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCCC 2145540114 AHLGAPDOUHXJTO-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(c3ccc(Br)cc3C#N)C2)C1 2174813495 XAUYRRMFBXXXCS-OAQYLSRUSA-N 434.378 4.938 30 10 IJEE CCN[C@H](C#Cc1ccc(C)cc1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2223316526 SNDLNWOCRSHGHR-FTBPSBKWSA-N 436.596 4.823 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@@H](CC)CCN1C(=O)OC(C)(C)C 2296290783 HNNKSOFSGWLWAC-SXLOBPIMSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1C(C)(C)[C@@]2(N)C#Cc1ccc(Br)cc1 2296290935 JBLFXUVIASHXCQ-JBYIUTFZSA-N 433.390 4.554 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2296310519 KSWPKGMQNIQWGC-MAUKXSAKSA-N 449.311 4.624 30 10 IJEE COc1ccc(Nc2oc(C=C3SC(=S)N(Cc4ccccc4)C3=O)nc2C#N)cc1 2297456188 SYRCJRUMFRZCNJ-UHFFFAOYSA-N 448.529 4.700 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2310843768 FZYNASLEZAWGSK-TUGCOKMYSA-N 441.616 4.843 30 10 IJEE CN(C)c1ccc(C=NN=C2SC(=Cc3cccs3)C(=O)N2Cc2ccco2)cc1 2314841290 SOEZIFSBXLTCGY-UHFFFAOYSA-N 436.562 4.914 30 10 IJEE Fc1cccc(Cl)c1C=Nn1c(S)nnc1Cc1ccc(Br)cc1 2322238786 PDSHDBKNXUPYQY-UHFFFAOYSA-N 425.714 4.595 30 10 IJEE Cc1c(OCc2nc(O)c3ccccc3n2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325204823 NODUUBIRJVITEL-UHFFFAOYSA-N 428.419 4.978 30 10 IJEE CCOc1ccc(C=Nn2cnnc2SCc2c(F)cccc2Cl)cc1[N+](=O)[O-] 2326567525 OADWUXAHFXYMAT-UHFFFAOYSA-N 435.868 4.552 30 10 IJEE CC(C)N[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC1(F)F 2327274300 JIATWAROKGQKGJ-LOSJGSFVSA-N 440.582 4.536 30 10 IJEE COc1cc(C=Nn2c(COc3ccccc3)nnc2SCc2ccccc2)ccc1O 2329918617 PVLYNMBYEMLYFI-UHFFFAOYSA-N 446.532 4.746 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)cc1 2330986817 QPBQVIYSGYTQGF-SFHVURJKSA-N 442.928 4.656 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1cccc(O)c1 2331326648 NGSPNDYTKTYOBX-UHFFFAOYSA-N 437.569 4.502 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3cc(C)ccc3OC)cc2)c1 2331352216 SZPLQPZWVOAGOP-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE CC(C)(C)CC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 2331400624 CPTZWDYECVZPHP-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE CCSc1nnc(CC(C)C)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2331445531 IIGSLVVWGPNNIK-UHFFFAOYSA-N 438.553 4.699 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)cc1F 2331454078 TVDDBZCNUBZDLE-UHFFFAOYSA-N 426.831 4.701 30 10 IJEE COCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(Br)ccc1F 2331549138 JEFGIKKBDXYAIE-UHFFFAOYSA-N 449.349 4.809 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 2331552460 HDWUYFFAHWLNQD-UHFFFAOYSA-N 426.509 4.839 30 10 IJEE C=CCN(CC[C@H](O)CCc1ccc(OC)cc1Br)C(=O)OC(C)(C)C 2339393762 QWUMZHJCTKRSOC-MRXNPFEDSA-N 428.367 4.564 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339605507 FKCJSENCDHRIJT-ZWKOTPCHSA-N 444.381 4.797 30 10 IJEE Cc1ccnc(N(C)[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2357063508 LHPHSIRTOFFZBT-MLCQCVOFSA-N 448.416 4.509 30 10 IJEE C=C([C@H](NCCC)[C@H](O)c1sc(Cl)cc1I)C(F)(F)F 2366644554 BVJGGFZRQWAWIS-UWVGGRQHSA-N 439.668 4.526 30 10 IJEE CSc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc(C#N)cc2)cc1[N+](=O)[O-] 10154893 GATFBBREIARFQT-UHFFFAOYSA-N 432.457 4.776 30 10 IJEE CCC[C@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O 34792651 NVHJKSWOYIWHSI-ONRUDAJHSA-N 425.554 4.646 30 10 IJEE C=C[C@@](C)(O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 36308856 IFLVZUKRBYZXMF-RPLLCQBOSA-N 447.579 4.891 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCCCC)c(OC)c2)S/C1=N/c1nnc(C)s1 39866310 JZRQUFMBZQLUKY-VJGKAAADSA-N 444.582 4.824 30 10 IJEE COc1ccc(CCNc2c(CCC#N)c(C)c(C#N)c3nc4ccccc4n23)cc1OC 47163525 NPPVVRVLKVOWKI-UHFFFAOYSA-N 439.519 4.796 30 10 IJEE C=CCOc1ccccc1NC(=O)CNc1cccc(C(=O)N(CC)c2ccccc2)c1 66090804 OBDVMKQYTIGWNQ-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 169965389 UWVFIAOESYGQJO-HXUWFJFHSA-N 445.862 4.705 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1cccs1 169990062 UTGXLJSKWSDDGE-OAQYLSRUSA-N 429.501 4.726 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccn2)cc1 169999033 CURPXKAOEDNFTQ-FQEVSTJZSA-N 427.485 4.783 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccnc2)cc1C 170012083 IFAYVGIIPCBOLE-HSZRJFAPSA-N 430.479 4.659 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC(C)C)cc1 170027786 XFJSPIXOFIICNH-QHCPKHFHSA-N 449.503 4.835 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(F)cc1 170065095 FRVODPJDWXUXQI-QHCPKHFHSA-N 425.500 4.538 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170077828 XFRNYQMECFNMHC-XMMPIXPASA-N 437.499 4.958 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccco3)nc2c1 170098521 WFUHVALPLNPTPY-LJQANCHMSA-N 433.851 4.901 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2sccc2C)c1 170105178 DOAHUXKGFOJJEU-HXUWFJFHSA-N 449.484 4.577 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(C)c2)c1 170144351 DWNXJSGVVIDWEU-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1cccnc1 170187603 FPCSMCPQBZTKPR-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)ccc1OCC(C)C 170292454 BPIFILNJORZJSR-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(OC)c3)[C@H]2c2ccc(C)o2)cc1 170300665 QOQSGEWULQUURT-HSZRJFAPSA-N 447.487 4.951 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(C)o1 170304015 UYGVEMQKRZHLCI-JOCHJYFZSA-N 428.444 4.861 30 10 IJEE CCc1ccc(NC(=S)NN=C2C(=O)N(Cc3ccccc3C)c3ccccc32)cc1 254510604 FYVCDKKJEHYJOQ-UHFFFAOYSA-N 428.561 4.795 30 10 IJEE CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C)cc1O 254738418 BLZPHAJBLNKRBV-GQOJFKQTSA-N 427.551 4.703 30 10 IJEE COc1cc(C=NNC(=S)Nc2ccc(F)cc2)ccc1OC(=O)/C=C/c1ccccc1 254905800 ORUIQUCSBHZSCH-MMBOFTJPSA-N 449.507 4.774 30 10 IJEE COc1ccc(CNc2cc(Br)ccc2I)cc1C#N 312616638 QSKNKLZDDFLFDE-UHFFFAOYSA-N 443.082 4.546 30 10 IJEE N#CCCCn1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 434976726 DGMHTKZEZIWFBZ-UHFFFAOYSA-N 440.469 4.926 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3s2)CC1 436362283 LNUSYMMWTVDEBT-UNMCSNQZSA-N 430.577 4.811 30 10 IJEE Cn1cccc1[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 442176730 QTYTWKBRKBFRKS-OAQYLSRUSA-N 446.482 4.520 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1 482880578 VVYIQYVVJNESCV-QHCPKHFHSA-N 437.515 4.554 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cnc2c(cnn2C(C)C)c1 489630475 FCEDMAJOAPFMMJ-UHFFFAOYSA-N 434.569 4.969 30 10 IJEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2ccccc2C(F)(F)F)C1 508813982 RNRJIZDTKUVBHN-FQEVSTJZSA-N 439.441 4.599 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(=O)NCCCCC)CC1 508816761 KWHMEMZDIIEUDP-UHFFFAOYSA-N 449.521 4.673 30 10 IJEE C=CCn1c(CCc2ccco2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 508839448 FPRRAMNSAIOULK-IBGZPJMESA-N 433.339 4.727 30 10 IJEE COc1cccc([C@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526520686 JFTQTYQTOBOFFZ-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C2CCOCC2)CC1 558998082 OTRWCIKJCBNVPP-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1ccccc1C 586315699 OMSOKFQTFZHCIG-UHFFFAOYSA-N 440.908 4.564 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OC(=O)c2cnc(-c3cnn(C)c3)s2)c1 732708582 QPBFXLHLIBTLNU-UHFFFAOYSA-N 445.500 4.559 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(Cl)c1 733200616 GRJHNKMWZFYQBV-FQEVSTJZSA-N 439.968 4.940 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc2ccccc2c1 733202630 UMJYRVSREHIVDL-JOCHJYFZSA-N 427.529 4.823 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(Cc2oc3ccccc3c2C)C1=O 734300058 KHDZNUXYGGOCJQ-FQEVSTJZSA-N 435.549 4.626 30 10 IJEE COc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1C#N 747071453 YQXXSKLZXLHYIS-UHFFFAOYSA-N 429.501 4.930 30 10 IJEE COc1ccc(/C=C(\C)C(=O)[C@H](C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1F 755603563 VSPDVOCCRDMMKI-COSNYCCFSA-N 430.863 4.556 30 10 IJEE C=CCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=Nc1ccsc1 790749818 JTILSWZMRIBJEA-QGZVFWFLSA-N 449.985 4.564 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CCCN1C(=O)OC(C)(C)C 792531203 FSCBPQDHSWGVSG-RUZDIDTESA-N 441.572 4.515 30 10 IJEE C#CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccccc1C 799211367 LWLAMVLHHNNEFW-QFIPXVFZSA-N 427.529 4.742 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccc(Cl)cc1 811964094 CEZCMEIFQGIJIE-HXUWFJFHSA-N 448.325 4.867 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)c1ccc(F)cc1 812939043 UMMSKQMDKSQLNH-HSZRJFAPSA-N 442.494 4.912 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)CCCN1C(=O)OC(C)(C)C 1127132107 SQMLMHCJQHIVMM-HSZRJFAPSA-N 443.544 4.989 30 10 IJEE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C2CC2)c1 1127802568 XJJBEKZFUHDKHL-HNNXBMFYSA-N 449.956 4.685 30 10 IJEE C=CCCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1128603987 KNMFAABRBPBDKS-PXDATVDWSA-N 436.552 4.579 30 10 IJEE C#C[C@H](NC(=O)c1cc(CC)nc2onc(C(C)C)c12)c1ccc(Br)cc1 1129731229 RHCGZBSCOVPTAV-KRWDZBQOSA-N 426.314 4.775 30 10 IJEE C/C(=C\C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 1130341462 NTCDNCOINFOKOW-SFQUDFHCSA-N 427.470 4.761 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1OC 1132661104 INJGTJMCWSWGBV-YRNVUSSQSA-N 426.494 4.539 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNc2ncnc3cc(Br)sc23)ccc1OC 1185354340 FMGJZKSHBAEQOV-LBPRGKRZSA-N 433.331 4.755 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1185605473 GCBSUZBQTVVQIV-UHFFFAOYSA-N 436.331 4.612 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(C(F)(F)F)nn1C 1188282672 IKBOQXKJYOMNKO-UHFFFAOYSA-N 443.882 4.741 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1 1208683923 UTQWTZFOQKPCFR-UHFFFAOYSA-N 434.517 4.736 30 10 IJEE C#CCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1210998930 NTQLOOUQDURVHT-IBGZPJMESA-N 436.408 4.867 30 10 IJEE CC(=O)N(c1ccc(NC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cc1)[C@H]1C[C@H]1C 1218460535 WJSBOCAYRSESPM-CAYVGHNUSA-N 430.430 4.745 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCO[C@H]1C(C)C 1229110542 SCQBBDLRRHWVAU-BEFAXECRSA-N 427.358 4.737 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@](C)(OC)CC1 1286339388 KXUOZLMQDPWYCS-NRFANRHFSA-N 449.368 4.656 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OC(C)(C)C)C1 1286345088 FXVAPAWMMMMOGM-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1286356447 IMFYAALSSQLZHV-JOCHJYFZSA-N 448.567 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCCC 1286554316 XRDNVXABKWPCCI-HKUYNNGSSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1286569185 GVEKHXRQUOMCHC-IBGZPJMESA-N 443.592 4.896 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286703129 BNSPLKYLOUTTRA-HXUWFJFHSA-N 431.625 4.670 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1c(C)sc(C)c1Br 1286722049 AZELEVAOHVGTIU-UHFFFAOYSA-N 432.391 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1c(C)noc1C 1286753002 QOLPJDPFTUECTF-UHFFFAOYSA-N 442.361 4.848 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@@H]1CC 1286824942 CSZJSLZRWWDLIN-HOCLYGCPSA-N 438.439 4.590 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1 1287363352 GDUWZMJJZMPCEV-UHFFFAOYSA-N 448.518 4.703 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1C(=O)NCCC 1291709896 KWBSENPLJFFDTD-KRWDZBQOSA-N 437.968 4.668 30 10 IJEE CC[C@H]1CCCCN1CCn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1293371374 FNMKERCTEOSOLP-RPLLCQBOSA-N 448.659 4.848 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1 1300395020 ZWNGBFPZYMSKPB-GOSISDBHSA-N 449.368 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCCc1c[nH]nc1C 1300904738 FQUXWZMKRZPTOE-UHFFFAOYSA-N 449.422 4.836 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1301129216 NFFDCJCNHIHVLI-GOSISDBHSA-N 438.597 4.809 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1301148080 KZHDRKWUPQHLQG-UHFFFAOYSA-N 439.579 4.640 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCSC[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301158427 FEOKZLVWLLNJQV-KURKYZTESA-N 449.665 4.593 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301176031 NQPOZSJUMFIDPO-QHCPKHFHSA-N 427.549 4.851 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCCN1CCC[C@H](C)C1 1301270828 LYVLMKCCHZRCKS-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)c1cccs1 1301341489 OJSUCIHIBRCPPY-UHFFFAOYSA-N 437.613 4.648 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(C)(F)F)c2)C1 1301566654 PDIBSXYVMSYWPW-OAQYLSRUSA-N 430.543 4.952 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1301596922 DGZXAJZOOHNINB-LJQANCHMSA-N 434.556 4.745 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1C)[C@@H]1CC[C@@H](C)C1 1301744888 HMJYTVHYZQLCBE-DYESRHJHSA-N 435.597 4.876 30 10 IJEE C=CCC[C@H](NS(=O)(=O)N=[S@](C)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1309335051 PTGCEJOMAOSZPJ-XDBZFTIUSA-N 446.516 4.704 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)cc1 1310132480 SZONPTMGBIGAOI-QGZVFWFLSA-N 447.626 4.876 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C)c1ccccc1 1310944080 SXOYSMYVFYRRNH-HXUWFJFHSA-N 441.576 4.972 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 1313003535 ZKZNMAWWZKPSTC-LTIDMASMSA-N 433.515 4.608 30 10 IJEE CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 1353233220 GJYLDNWLONBOKA-RUZDIDTESA-N 442.515 4.950 30 10 IJEE CC[C@H]1[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1C(=O)OC(C)(C)C 1355839815 GJZLBLJNTLKVLP-PMACEKPBSA-N 436.512 4.720 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 1358078449 XXIUPJRETKMTEP-UHFFFAOYSA-N 434.902 4.854 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)N1Cc2ccccc2C1=O 1358432795 HIVXBNXMVICMGL-GOSISDBHSA-N 427.479 4.584 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCCCCSC 1358943700 RSRPTSCDVOWGTQ-UHFFFAOYSA-N 439.398 4.840 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC1CCC(F)(F)CC1 1359071082 CLKJVEGEPDQOSW-JOCHJYFZSA-N 434.481 4.965 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC 1359093776 SKBLUSCCXWGNLB-KDOFPFPSSA-N 437.357 4.674 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(CCC(C)C)C1CC1 1359143598 HIGZWKSNSYPCHL-UHFFFAOYSA-N 426.790 4.814 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC2(C)C)CC1 1359177766 APRUJFLQFRBDAT-VQTJNVASSA-N 443.636 4.841 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCCc2nccs2)CC1 1359181959 NITOJNBECIKZRM-UHFFFAOYSA-N 437.613 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3cccc(F)c3[C@H]2C)nnc1[C@]1(OCC)CCOC1 1359192907 RJPNSAGDJLZONB-CJAUYULYSA-N 442.579 4.795 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccccc1 1359194880 CRFMDSAZGFTNRF-FCHUYYIVSA-N 438.616 4.926 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 1359215206 XJAYIWSCNLALOR-GHTZIAJQSA-N 439.560 4.640 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1[C@H]1C[C@H]1C 1359262068 GIKSOEMFDATVRF-QAPCUYQASA-N 440.569 4.806 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCC)CC1 1359263677 IUUITCJZEOSILY-OAQYLSRUSA-N 443.661 4.548 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)NCC1(N2CCSCC2)CCCCC1 1360147707 FQNRJLGIVVIIRU-UHFFFAOYSA-N 435.593 4.832 30 10 IJEE CC(C)c1ncc(Br)c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 1360597052 BTDUFOFIFGFRSO-UHFFFAOYSA-N 441.354 4.893 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 1435847606 GLSAGZBSOAGVJW-UHFFFAOYSA-N 434.492 4.963 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CSc3ccc(Br)cc32)cc1OC 1436129168 SRCSMUACJBRNAJ-VWTAQGJOSA-N 446.366 4.999 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccccc2Sc2ccc(S(=O)(=O)CC)cc2)cc1 1436378552 FNHDDLZELQDECU-UHFFFAOYSA-N 435.570 4.543 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CCCC1 1437628975 VYGDRGNPXIMTKY-BGYRXZFFSA-N 432.630 4.610 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 1438000253 LXXZYCHVRKQPBP-UHFFFAOYSA-N 433.552 4.948 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)CCCN1C(=O)OC(C)(C)C 1457350393 NPMRVJOXFIOQTJ-SIBVEZHUSA-N 433.552 4.719 30 10 IJEE COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)N(C)C4(C#N)CCC(C)CC4)CC3)c2c1 1459747486 GUQJHQGECZSZOR-HOYUBGIKSA-N 434.584 4.585 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C 1465783278 ZMVAIBSSTORHJI-YLJYHZDGSA-N 447.551 4.775 30 10 IJEE C#CCC1(NC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)CCCCC1 1466728458 UCEGXINOAAEKFY-UHFFFAOYSA-N 427.545 4.664 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccn(-c2ccccc2C(F)(F)F)n1)C(C)C 1466905235 GVRRTUXFCNOQBC-LJQANCHMSA-N 435.494 4.711 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)cc2n1 1472037482 VBBUSPSQCOPQRT-QFIPXVFZSA-N 432.524 4.695 30 10 IJEE C#CCOCSc1nnc(COc2ccc(OCC)cc2)n1-c1ccc(C)c(Cl)c1 1472910741 MYMADJQGBSXZKL-UHFFFAOYSA-N 443.956 4.906 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@@H]1C(C)C 1507525750 CVJJEVCTAXAQNP-DCLXLUIPSA-N 448.567 4.636 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C1CCCCC1 1507592080 PSODTGDIUQDVCB-UHFFFAOYSA-N 443.636 4.965 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1507810187 KTDLGXZAURWXCG-SFLYRZDNSA-N 440.588 4.536 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1cccs1 1507843679 QONIICOLIFXWOK-UHFFFAOYSA-N 435.553 4.891 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C)[C@H]1C 1507928437 FDRMTBNHNLWSLA-RTBURBONSA-N 427.618 4.834 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCC[C@@H](SC)C1 1507959479 DBXZTXWWIWJOOX-LJQANCHMSA-N 439.629 4.751 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1507987792 CJZPAOZWDBDUKK-UHFFFAOYSA-N 446.599 4.829 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CC[C@@H](C)N1CCCCC1 1508004003 HPQWKJMLWMPRRV-JOCHJYFZSA-N 430.600 4.797 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2COc3ccccc3O2)n1CCCSC 1508007805 IIFSJBQLNJKZCU-FQEVSTJZSA-N 442.610 4.798 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1CC1(C(=O)NCC)CCC1 1508009210 MSEBZFRWHAPSPL-UHFFFAOYSA-N 449.624 4.814 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(C)(C)N2CCCCC2)o1 1510760877 AZKRVEMUDZQYSV-UHFFFAOYSA-N 432.572 4.619 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc1OC 1520860961 KAPMWTXYSLTBHO-VSFZPWCASA-N 444.572 4.569 30 10 IJEE COc1ccc(-c2nccnc2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 1524098841 CIOBMQQSGKJOHJ-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)Oc2ccccc2F)c(C(=O)OCC)c1C 1524508713 LAOBICAKSLTDAI-OAHLLOKOSA-N 449.500 4.511 30 10 IJEE C=CCC[C@@H](NC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccc(C(F)(F)F)cc1 1526561926 TXXNFMOHCKYGJE-MRXNPFEDSA-N 432.364 4.710 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)c1 1526913792 HDGJMQMFQVMHDM-SFHVURJKSA-N 444.622 4.633 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)cc1 1527701476 XGQOWZHIMQPSCP-UHFFFAOYSA-N 425.410 4.936 30 10 IJEE C#CC[C@]1(C(=O)Nc2nnc(-c3ccccc3Cl)s2)CCCN1C(=O)OC(C)(C)C 1528208023 DJMWJYKLZSGNNR-OAQYLSRUSA-N 446.960 4.590 30 10 IJEE COc1ccccc1-c1ccc(C(=O)Nc2ccc(Br)c(C#N)c2C)c(O)n1 1529315535 BBMCVSALOQVUTI-UHFFFAOYSA-N 438.281 4.658 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 1529681259 AXSCLJXIMONIAH-UHFFFAOYSA-N 442.519 4.831 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2nc(Cc3ccc(OC)cc3)[nH]c2c1 1533571435 BGKPVDYJCPPONF-UHFFFAOYSA-N 443.503 4.988 30 10 IJEE CCc1c(Br)cc(C(=O)Nc2cc(C#N)ccc2OC)cc1Br 1535611585 CXRQMYVIBUFBNU-UHFFFAOYSA-N 438.119 4.907 30 10 IJEE C=CC1(CC(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)CCCCC1 1536081255 ZNICJJBRSLLZCU-UHFFFAOYSA-N 425.342 4.890 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)c(F)c1 1538982022 AVTYEQQKJYMDJX-CVEARBPZSA-N 438.572 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCCC1(F)F 1539035180 MXVARIOLQKMJCS-DLBZAZTESA-N 434.556 4.862 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCCC1(F)F 1539035182 MXVARIOLQKMJCS-IRXDYDNUSA-N 434.556 4.862 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(N(CC)CC)nc1 1539036220 ZDBYASZPCMVSOR-HXUWFJFHSA-N 448.640 4.626 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1539104665 NUXKGUXTTNMWKI-QAPCUYQASA-N 429.362 4.508 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CCCN1C(=O)OC(C)(C)C 1539390617 VGUSTYZQBJBVNQ-ATIYNZHBSA-N 443.632 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1539627169 IBDHIOVDCZCBQC-UZLBHIALSA-N 429.927 4.683 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(OC)c1 1539636873 MKGGIQWINPYAIY-NZQKXSOJSA-N 438.597 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](OC)C1CC1 1539659414 WNLKLBHNVFSJIK-SFHVURJKSA-N 437.357 4.674 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1539758259 FGTICHGLYFKKEW-VXKWHMMOSA-N 438.616 4.840 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)CCCCC)CC1 1539805381 HSUICZUYORWSAO-UHFFFAOYSA-N 444.023 4.595 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)COCc2ccccc2)CC1 1539885148 WWOPPARPPOVDHE-FQEVSTJZSA-N 431.584 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1539903288 VTTYPDXOLZXGNR-IBGZPJMESA-N 431.650 4.575 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)C)C1 1539953902 PMVPPIAKLMMWGK-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1539971696 OYJCUYHHHLJLOK-AUSIDOKSSA-N 435.547 4.726 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CCCC(C)(C)C1 1540021898 ZWGIYLVCPWRVFU-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1540036998 ZBAUIVUFSUMGJJ-HXUWFJFHSA-N 434.943 4.509 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCc1ccccc1 1540070782 FIPLWSUAIIYVLS-OAQYLSRUSA-N 439.604 4.648 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CC1C[C@@H](C)O[C@H](C)C1 1540121618 LILMHVRTBZPFTE-WOJBJXKFSA-N 442.567 4.608 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)c1ccsc1 1540158419 GUSBNDZVHIBRBG-NRFANRHFSA-N 432.952 4.885 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1 1541406389 AYDKOQRPSXSDLO-IRLDBZIGSA-N 435.597 4.966 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(C)C)C2)c(C)o1 1542137734 FBHGOQOEQNKEOA-ATIYNZHBSA-N 447.583 4.807 30 10 IJEE C#CCN1CCC[C@H]1C(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1542658501 BBFWWGKQRHCCCN-KRWDZBQOSA-N 433.499 4.666 30 10 IJEE C=CC1(CC(=O)N2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCCC1 1543688484 RRTYUWIVZQQIJN-NRFANRHFSA-N 434.621 4.778 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H](C)C#N)c1ccco1 1547436525 DPXGJANUPXGTJY-XLIONFOSSA-N 440.979 4.870 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)CC(=O)c1ccc(OC)cc1 1556967184 AZJSACAOPXLKOE-AWEZNQCLSA-N 432.314 4.870 30 10 IJEE C#C[C@H]1CCCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)n(CCCC)c2=S)C1 1557241292 WIYOOHJGGMBVPP-KRWDZBQOSA-N 431.005 4.796 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@]2(c3ccccc3)CC2(C)C)n(-c2cccc(F)c2)c1C 1560028931 HQRWOGCSHJEWOJ-AREMUKBSSA-N 430.527 4.958 30 10 IJEE C=CCCC1(CNC(=O)Nc2cc(N3CCOCC3)ccc2Br)CCCC1 1562809615 HQPDWLHYBRJSMN-UHFFFAOYSA-N 436.394 4.934 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCc2c(Br)cc(C)cc2C1)C(C)C 1563454157 ZUXAGYMTQSHEJI-OAQYLSRUSA-N 434.422 4.524 30 10 IJEE C=C(C)CCNC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1564789233 PZECRAGTFQYDQR-LJQANCHMSA-N 429.561 4.545 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(CCC)CCOc2c(Cl)cc(Cl)cc2Cl)C1 1565346121 HQPPMNCUPCSLFK-MRXNPFEDSA-N 446.806 4.545 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C 1566381723 CJQYABMBHPAVBY-HKUYNNGSSA-N 441.597 4.945 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C)n(-c2cnccn2)c1C 1584443092 HRDAEHMLSXHIMC-UHFFFAOYSA-N 443.320 4.614 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C1CCC1 1584728976 FFWFAFIMMNQUNG-QFIPXVFZSA-N 435.524 4.769 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCc2c(Br)cccc21 1584785045 NEZOFMXCOVEMPR-LJQANCHMSA-N 438.325 4.617 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H](C)c2ccc(Br)cc2)cc1OC 1585444408 BQLHGNRGNPLONS-VDTUPGDHSA-N 430.342 4.956 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 1585593131 BEAOQWZJPLUBFG-UHFFFAOYSA-N 434.923 4.972 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccn(C)c1 1587635259 FJXHEDXFFRBQBH-RUZDIDTESA-N 443.547 4.515 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2(C)CCCC2)c1 1587697021 HVHKNEXRPIDMGQ-UHFFFAOYSA-N 447.608 4.567 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1587807441 DCCCPOZSFVSAMC-RBUKOAKNSA-N 428.552 4.755 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1cccc(Cl)c1 1587831366 NHZDSRWSRPLHTM-UHFFFAOYSA-N 430.339 4.576 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H](C)N1CCCCC1 1588109869 QNFMPAVHQFRMEG-GOSISDBHSA-N 444.410 4.589 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)C(C)C 1589164673 YFLONZMJIVGVDP-RUZDIDTESA-N 448.640 4.709 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc4cccnc34)n2CCCC(=O)N(CC)CC)CC1 1594218477 HFEFQEYTEPGHIQ-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCCn1nc(C)cc1C 1595200835 RVSCZWRFVGDEOB-UHFFFAOYSA-N 429.572 4.519 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1595890200 LXBYKZPXKGMSQG-UHFFFAOYSA-N 447.530 4.838 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1611052999 NGLIKKRIUQBQFR-OAQYLSRUSA-N 433.305 4.806 30 10 IJEE C#C[C@@H](NC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1623825556 JQOPGZDKRRTBRX-WIYYLYMNSA-N 444.934 4.796 30 10 IJEE C=CC(C)(C)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1623988452 LOKHTCYGMQLSDV-UHFFFAOYSA-N 437.359 4.791 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 1625226993 ODKVHRFZHZGLJL-NRFANRHFSA-N 443.588 4.681 30 10 IJEE C=CCC[C@H](C(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1)c1ccccc1 1629173357 KZZDIWGFRLAMQL-ICSRJNTNSA-N 436.581 4.753 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 1638739157 GTKSLTBIAHXSSN-OAQYLSRUSA-N 449.389 4.916 30 10 IJEE C=CC1(CC(=O)N(C)CCOc2ccccc2C(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1639755840 VHATUESXFRPVNV-UHFFFAOYSA-N 430.589 4.635 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C1CC1)[C@H](C)C#N 1640027933 ZRFMJGAZRIDTCK-IQGLISFBSA-N 443.547 4.763 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1641354197 SJWFDHDLCYPKFH-KXBFYZLASA-N 448.972 4.711 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1641836836 LNNZFFLJSSPAAV-VZWFDDOASA-N 449.532 4.680 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C)c(C)c(O)c2)nnc1-c1ccc(Cl)cc1 1644606086 HJZJRDMYIJFYFD-UHFFFAOYSA-N 428.945 4.838 30 10 IJEE C[C@@H]1CCC[C@H](N(CC(=O)N(CCC#N)CCC#N)Cc2c(F)cccc2Cl)[C@@H]1C 1653673799 FSOQDDMGMZCKHJ-HMFYCAOWSA-N 432.971 4.762 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc(OC)c1OC 1660163217 XHCDGFRVSITVQJ-UHFFFAOYSA-N 439.390 4.681 30 10 IJEE Cc1nc(-c2cc(NC(=O)N(C)[C@H](C)c3cccc(C#N)c3)cc(C(F)(F)F)c2)n[nH]1 1662905921 ABYVKLBIYCVINH-GFCCVEGCSA-N 428.418 4.896 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)Nc3cc(C#N)ccc3F)CC2)C1 1672125455 DNMIXUILTFFFJQ-GOSISDBHSA-N 430.524 4.588 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1cc(C(=O)OCC)cc(C(=O)OCC)c1)c1ccc(F)c(F)c1 1674795417 LUXRQGBLPKTQQD-FQEVSTJZSA-N 446.450 4.757 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2ccc3cccnc3n2)CC1)c1ccc(Br)cc1 1683511729 ANBPNULDQFVLEQ-FQEVSTJZSA-N 449.352 4.656 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 1684402940 AJTAROGIXZZSBQ-UHFFFAOYSA-N 437.849 4.983 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OCCC 1689835179 HTOSRUUYVWVCNW-GOSISDBHSA-N 449.624 4.966 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cc(C(CC)CC)no1 1689855022 MNOLAALCEHPXSA-MRXNPFEDSA-N 425.964 4.920 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1C(C)C 1690161875 TZODMCCYPKKECY-SFHVURJKSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCCC=C 1690202786 DZZDPHHZXFUHKI-AREMUKBSSA-N 444.583 4.584 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CCc2ccccn2)CC1 1690417283 LQDJQRFGZUBDGQ-UHFFFAOYSA-N 435.597 4.619 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690472758 VCNUOXKIUSAEOE-VRXWPRPYSA-N 430.980 4.756 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1690485522 VLXHUJDMGDLRMK-UHFFFAOYSA-N 427.568 4.501 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCC[C@H](O)C1 1690605760 WFMUKUSHIKGPLD-NQIIRXRSSA-N 440.975 4.978 30 10 IJEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1694992106 UQTPVUQQGPZSBP-AATRIKPKSA-N 445.552 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCC1CCOCC1 1705478283 YZMBTIFOJVHHJP-MSOLQXFVSA-N 430.980 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCCS1 1705503394 WENKRKXKZSUDEH-MHECFPHRSA-N 426.630 4.898 30 10 IJEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1705517289 SHYJERIQDNHFNG-JOCHJYFZSA-N 436.600 4.573 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1705524433 LTNGKJYXGQUPGP-AVRDEDQJSA-N 442.991 4.880 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO[C@H]1C(C)C 1705577228 WIIXWVRNRBIGRT-UWJYYQICSA-N 445.394 4.776 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1Cc1ccc(Cl)nc1 1705619924 GTTMSJQAUKKJJW-UHFFFAOYSA-N 425.939 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CC(CC)(CC)SC 1705671349 GSVLNICNHZMPME-HSZRJFAPSA-N 440.613 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCC 1705697302 UIENPSVARIXDDW-CJNGLKHVSA-N 425.396 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705720130 YQHTYBLXVKKBCM-MCEYFSPLSA-N 438.616 4.818 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C)=C(Br)C1 1705722829 JWTJETMCBOTYOE-UHFFFAOYSA-N 439.361 4.790 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)(C)C)CC1 1705733481 UELBBXMBYONZOR-UHFFFAOYSA-N 432.012 4.502 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)c2cccs2)CC1 1705778568 BDCWXXOQGPKYQL-QFIPXVFZSA-N 428.989 4.970 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705808387 LCYBHCSIKOCHQH-UHFFFAOYSA-N 441.583 4.661 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](OC)C(C)(C)C1 1705826775 JJLZAMAERJUOTG-NRFANRHFSA-N 444.645 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC(F)(F)F)cc2)C1 1705923160 ABCDIXVXSBXHCG-SFHVURJKSA-N 438.494 4.595 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1Cc1ccnc(OCc2ccccc2)c1 1706746440 AMDJFAHVBBUJLR-LJQANCHMSA-N 432.572 4.627 30 10 IJEE CC[C@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCOC)Cc1ccco1 1709240537 FHEAXUXUYFKMAO-RBBKRZOGSA-N 433.556 4.889 30 10 IJEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C/C=C\c1ccccc1 1722411385 FHOJZWQLQWRWNG-SISXUJTISA-N 449.599 4.566 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C(CC)CC)N(C)C 1722470000 KDDURNRHYKUKGQ-ZEQKJWHPSA-N 432.616 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(Cc1cccs1)C(C)C 1722509291 OMFMTXKGHGEBLG-ZJOUEHCJSA-N 430.618 4.630 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1722579074 INIQZKCJKGOWCE-HXUWFJFHSA-N 432.563 4.758 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@@H](C)C1 1722585184 RBUIDLJYJRRJOR-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1C(C)C 1722623692 KPIRHOPPXHRVQT-HNNXBMFYSA-N 439.423 4.987 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2CCO[C@@H]2C(=C)C)C1 1722710787 OJUBUCAJEUMVCB-OLKYXYMISA-N 436.600 4.583 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2C)C1 1722710934 QLEQOTQSQKJSON-YADHBBJMSA-N 447.583 4.568 30 10 IJEE CS[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1731045877 BIKQQWPMYUAJSS-JXFKEZNVSA-N 439.963 4.957 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1740574515 ZYGBQIOKGRFMEV-PGRDOPGGSA-N 438.572 4.839 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC[C@@H](C)C1 1740664359 NKRZPIMJSRUFCP-CVEARBPZSA-N 431.378 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc3ccccc3c2Cl)n1CCCCCO 1740727480 NJZWDJLPOLUOOA-JOCHJYFZSA-N 428.989 4.968 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1c(F)cccc1OC(F)F 1740733591 NEEUPEWKVMSVQO-HSZRJFAPSA-N 432.490 4.792 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1740745856 IFEJGZQWXYGDSO-HXUWFJFHSA-N 438.373 4.822 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1Nc1cnn(CC2CCC2)c1 1740747754 UZPLEMPUWGETGC-UHFFFAOYSA-N 441.377 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)C/C(C)=C\c1ccccc1 1740757271 NVLHGJLYSFIUBA-RVBGSVQLSA-N 431.584 4.805 30 10 IJEE C=C(C)Cn1c(N2CCC[C@@H]2c2ccc(OCC)cc2)nnc1[C@]1(OC(C)C)CCOC1 1740785108 KMJZEGCRNSPJDD-RDGATRHJSA-N 440.588 4.635 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCOC1 1740859751 QGMDTAZHEXXIKH-AWEZNQCLSA-N 425.396 4.598 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ncccc2F)CC1 1740860327 ACLVNZXRKIEHGZ-UHFFFAOYSA-N 425.508 4.785 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(Cl)s1 1740933070 FJKYFBFZEHWQIN-UHFFFAOYSA-N 438.988 4.653 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1748701122 CYUJUXFSKAWNNQ-XZOQPEGZSA-N 449.643 4.755 30 10 IJEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)CCc1cccs1 1748719253 WPMNOEJPOLHYRZ-QFIPXVFZSA-N 436.581 4.725 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](SC)C(C)(C)C 1748779829 WRLXOOLOYGENNA-INIZCTEOSA-N 439.398 4.694 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCCOCCCC 1749056257 WDMJIIPHTJXDRD-JOCHJYFZSA-N 445.405 4.907 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H](C)N1CCC[C@H](C)C1 1749072155 HGPFRLVBYMJEJI-VMODYCNZSA-N 433.644 4.566 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1749347318 NLCKEESFXSUPND-DHLKQENFSA-N 438.616 4.883 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN(C)[C@@H](C)CC)CC1 1749348887 ZXGKNJNWRBRGCA-NRFANRHFSA-N 425.621 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)S[C@H](C)C1 1749359664 MMZLYCCQIKMJIC-IAGOWNOFSA-N 428.602 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749368779 PXMVJWDXDLLBPH-UHFFFAOYSA-N 430.666 4.556 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1c(F)cc(F)c(F)c1F 1749386170 BPYIEKYEFZILPL-QGZVFWFLSA-N 426.458 4.917 30 10 IJEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1749398667 NPEOJQKRQUMBBT-QZTJIDSGSA-N 442.633 4.549 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1749413234 SKROADLSXLHXLE-VQIMIIECSA-N 443.548 4.558 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC(c2nccs2)CC1 1749437157 DKOYAJJULBMZKR-UHFFFAOYSA-N 427.549 4.803 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)c(F)c1)C1CC1 1749527916 WHQZUZDPIQZZRF-DENIHFKCSA-N 441.595 4.605 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1749616277 UKAUWCIXVRZJRF-TZIWHRDSSA-N 439.604 4.747 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)c1ccco1 1760160945 HMUIKSODXARMQW-SFHVURJKSA-N 441.576 4.596 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1Cc1ccccc1 1760305513 IFUBMLVDEGODHH-IBGZPJMESA-N 438.373 4.769 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1760319802 UQVHSSCVCIWFPH-JCYRPKCISA-N 438.616 4.884 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760319967 VPZMXZBHPHOMAA-NBJYBMASSA-N 448.970 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1760339962 DAUJFFVZYASNIF-GQEXVFEUSA-N 430.637 4.540 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)C(=O)NCC)CC1 1760398590 DRKUJTNYXJESGZ-UHFFFAOYSA-N 437.632 4.807 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1760413770 TXSJVUWXJYTZIH-UHFFFAOYSA-N 429.584 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2cccs2)CC1 1760415432 ZBFHMNMNEUFILE-UHFFFAOYSA-N 427.662 4.997 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1760415570 DIHZCVXOVMUDEL-DEOSSOPVSA-N 428.552 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760416060 SYYCRZYMGOBNPW-FCHUYYIVSA-N 440.588 4.616 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1760423350 WTHFASQVWCKPQG-UHFFFAOYSA-N 448.571 4.993 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1760459848 HIZLVKZQPWWLTJ-IRXDYDNUSA-N 438.494 4.953 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1760688189 CLAZTULCXOBULN-OWSLCNJRSA-N 445.995 4.871 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CCc1csc(C(C)(C)C)n1 1761358665 BYPOINZLNWTWAJ-HNNXBMFYSA-N 426.565 4.819 30 10 IJEE Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1761613554 DDELVWSEHBWTFJ-PKOBYXMFSA-N 435.597 4.824 30 10 IJEE Cc1nnc(N=C2S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)s1 1772736953 KEIVXJFEGFKVCH-ZRHYCJNMSA-N 429.527 4.691 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1861895731 WMIYRFKTDGUZTE-HSZRJFAPSA-N 444.579 4.643 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)c1 1862418413 HRIBFXYMLDTMSG-OAQYLSRUSA-N 427.447 4.884 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 1862477133 SNNUOUBKKNOQMB-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2cccc(Cl)c2)ccc1F 1862503084 PFHTZXHYZKDQAO-FQEVSTJZSA-N 431.891 4.528 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@H](C)O)cc1 1862545970 MSUHXQRUZXROJN-BXKMTCNYSA-N 433.548 4.648 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc([N+](=O)[O-])c1 1862547161 NXYYVTLSLXHYAD-QRQCRPRQSA-N 434.492 4.850 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2F)cc1 1862560540 JMXJNHNWDCQNMX-HSZRJFAPSA-N 448.469 4.676 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccc1Cl 1862568962 CLJMVLFQJZQWSR-RBZFPXEDSA-N 429.900 4.734 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1F)c1ccc2c(c1)OCO2 1862628386 ZTWXXQJTWWLTCD-NRFANRHFSA-N 441.430 4.605 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1F 1862640905 UWLRRHVQXWVWCL-QFIPXVFZSA-N 440.515 4.525 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862703572 IZCQCOXPQAJVDQ-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)OC)cc1 1862720285 VCUMYIBODPDJMQ-QFIPXVFZSA-N 429.472 4.615 30 10 IJEE COc1ccc(C2=C(Nc3cccc(SC)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968610 XADUCTUIDKJMNQ-UHFFFAOYSA-N 441.512 4.685 30 10 IJEE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(F)cc2)n1 1868445570 RRXTUEFPRBBTJA-HNNXBMFYSA-N 425.471 4.745 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCC(O)CC2)nn1-c1ccccc1Cl 1870061639 CGXPEBNXXIZLHD-UHFFFAOYSA-N 433.984 4.571 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 1870144407 BMILGDFYMISXCR-SFHVURJKSA-N 447.539 4.847 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 1870159879 UPGQLPCPFNMVBN-QWHCGFSZSA-N 432.698 4.841 30 10 IJEE CCc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCOC)cc1 1871250943 FIRFYPSTJHADQT-UHFFFAOYSA-N 431.536 4.510 30 10 IJEE CCOC(=O)c1c(NC(=O)COc2cc(C)c3c(c2)OC(=C(C)C)C3=O)sc(C)c1C 1871434459 SQNIMXDWLLYDTC-UHFFFAOYSA-N 443.521 4.737 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(OC)c4)cc(C)c3C2=O)c1 1871442115 ZZNZWCIQGSHGHN-FMCGGJTJSA-N 445.471 4.646 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccccc2)nc(Nc2ccc(Cl)cc2C)[nH]1 1871568334 NXFKVWJUPANHFQ-UHFFFAOYSA-N 434.975 4.832 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872270150 QOYGGZBFVRQGMF-GOSISDBHSA-N 445.343 4.727 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1872504891 PCCQBKPBVJERFY-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1cc(C)ccc1C 1872512469 VTKZVLLYFVRPJZ-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOCC)=C(c2cc(F)c(F)cc2F)C1=O 1873064340 HOKJPXZYOWSSTG-UHFFFAOYSA-N 440.506 4.561 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203163 BXLDVFJPBLPECU-UHFFFAOYSA-N 441.531 4.890 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(NCCc3ccc(F)cc3)ncnc21 1873615802 JAWIDRLFIUWMQB-UHFFFAOYSA-N 433.462 4.802 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cc(OC)ccc1OC 1874255045 HQYZFFOQYBIFGG-ZMOGYAJESA-N 440.569 4.794 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccco2)c1 1874394327 JUCHTBOEFIFWCG-BIKZULFDSA-N 445.548 4.944 30 10 IJEE C(=N/n1c(Cc2ccccc2)nnc1SCc1ccccc1)\c1ccc2c(c1)OCCO2 1874416726 FIWGERBBKSWFJA-YZSQISJMSA-N 442.544 4.815 30 10 IJEE Sc1nnc(COCc2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1 1874562894 XXVJOOBYLFUSAP-MFKUBSTISA-N 430.533 4.745 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OCC(=O)N[C@@H](C)c1ccccc1 1874614109 FLGFOTXNEJTIGI-IQGVVSCOSA-N 445.515 4.856 30 10 IJEE COc1ccc(OCC(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)cc1 1875128310 VRCKRUFSDXNXQW-NTEUORMPSA-N 448.471 4.593 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1875158515 ZQMRXZZCRCZLEQ-UUILKARUSA-N 435.407 4.787 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)[C@H]1CCCO1 1875160632 VSFJDTPVIIIBIY-OXHGWOFKSA-N 438.520 4.982 30 10 IJEE C#CC[C@@H](C[C@H](NC)c1cc(I)ccc1Br)C1CC1 1887489053 LHVRXTWZCOTQHB-LRDDRELGSA-N 432.143 4.754 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(Cc2ccc(Cl)cc2I)C1 1901967437 VODJSJMROXXWLM-KRWDZBQOSA-N 446.716 4.638 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]1C 1947964384 WBHRNZLYBGWPSR-MWTRTKDXSA-N 431.533 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)NCC 1984704840 XNCQULVBVKUXPQ-RBUKOAKNSA-N 430.511 4.831 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(C#N)cc1Cl 2010517981 UMAIOZLFBBQZAP-GOSISDBHSA-N 443.931 4.650 30 10 IJEE COc1ccc(CN(Cc2ccccc2)CC(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2034720311 DDPHKYKUAVBCIY-UHFFFAOYSA-N 435.295 4.559 30 10 IJEE N#Cc1c(Br)cccc1N1CCC12CCN(C(=O)OCc1ccccc1)CC2 2054429559 WYTSKBFNFBPSST-UHFFFAOYSA-N 440.341 4.702 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079022791 PRJZZOWVROZWHJ-XYHOIZSOSA-N 437.325 4.901 30 10 IJEE CC[C@@H](c1ccc(C)c(F)c1F)n1nc(C(F)F)c(C#N)c1I 2079959227 ZHNLBOUHSFQMOZ-JTQLQIEISA-N 437.178 4.883 30 10 IJEE CCc1nn([C@H](c2ccc(OC(C)C)cc2)C(C)C)c(I)c1C#N 2080106948 GYIWFOYZODLTRG-SFHVURJKSA-N 437.325 4.954 30 10 IJEE N#Cc1cnc2c(-c3cc(C(F)(F)F)cc(Br)n3)c(C3CC3)nn2c1Cl 2081535557 QPQZBSYRHAAYIW-UHFFFAOYSA-N 442.626 4.975 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@]1(O)CCN(Cc2ccccc2)CC12CCC2 2098701217 FLHWRJRBEFSQIP-PXJZQJOASA-N 448.651 4.935 30 10 IJEE C[C@@H](Nc1cc(Br)cc(F)c1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2107454222 QXGOQCVZZPDGKZ-GFCCVEGCSA-N 426.330 4.907 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 2137186695 AWTBPMQECQSMRZ-UHFFFAOYSA-N 442.365 4.827 30 10 IJEE CC[C@H]1CCN(c2cc(Br)cc(F)c2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2174813932 BLUFOVHRQLYJNW-DZGCQCFKSA-N 440.357 4.980 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180955354 ZJVVCOKQEWPDRC-GUYCJALGSA-N 436.350 4.685 30 10 IJEE CSCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 2212415673 RKKAITXTBOQOAE-UHFFFAOYSA-N 439.622 4.849 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)cc1Br 2221899679 LWIRKFILKBSXHK-AWEZNQCLSA-N 431.396 4.637 30 10 IJEE Cc1c(Br)csc1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2226123750 RQJQIOMVIPZYCW-XIKOKIGWSA-N 426.185 4.517 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@H](O)CC#C[Si](C)(C)C 2229110392 RDROOWNGGCJUHT-QZTJIDSGSA-N 440.454 4.517 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC(F)(F)C[C@H]2CC#N)c1 2233995041 PPARBNVYBPVPLR-CQSZACIVSA-N 444.276 4.560 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2235719487 FXMAZMRPOBFTBX-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)CC(F)F)c2Cl)OC1(C)C 2247915755 JATPVBXXESNTHO-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE Cc1ccnc(C(=O)N(Cc2ccccc2)Cc2cccs2)c1B1OC(C)(C)C(C)(C)O1 2267514452 ZKXVFKDOZYFTHQ-UHFFFAOYSA-N 448.397 4.593 30 10 IJEE C=CC[C@@]1(COc2nc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 2272081846 UGIKUIXXFSVNDE-IBGZPJMESA-N 427.339 4.577 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](N)(C#Cc2ccc(Br)cc2)CC12CCCCC2 2296225424 VANZLIFKVIKAOU-OAQYLSRUSA-N 433.390 4.842 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CCC[C@H]1NC(=O)OC(C)(C)C 2296279366 OFQNLGHOUBDYBP-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE O=C1C[C@H](c2ccncc2)c2c(ccc3c2OC(=Cc2ccccc2OC(F)F)C3=O)O1 2297590563 OOQLCUDDCQIQLX-MRXNPFEDSA-N 435.382 4.740 30 10 IJEE CCCSc1nnc(C2CC2)n1N=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 2320868042 KRGVIPFBVMQYCU-UHFFFAOYSA-N 436.537 4.768 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(F)cc2F)c(C)c1 2320909272 ZEKIRMAZAFYLNX-UHFFFAOYSA-N 441.507 4.664 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc3C2=O)cc1 2322890029 MPMNUAFEDUULTD-UHFFFAOYSA-N 448.858 4.891 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323858547 KYBICLLPOYPIQN-FQEVSTJZSA-N 432.605 4.869 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(OC)c(OCCCO)c(OC)c1 2324220352 UTQMDBDMKOHBIP-UHFFFAOYSA-N 428.525 4.667 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4OC)ccc3C2=O)cc1 2325735893 MOJGDVDXRSQYGB-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nncn2N=Cc2ccccc2OCc2ccccc2)cc1 2326809868 GOIIKGLXNDFXSL-UHFFFAOYSA-N 445.504 4.940 30 10 IJEE CCCOc1c(C=Nn2c(COc3ccc(C)cc3C)nnc2SC)cccc1OC 2328871451 KWDGMNQRFGWBAV-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Cc1cccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)c1 2330819379 AZWOBVPFPYUQJN-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(C(=O)O)cc2)c1 2330961662 RXKTWEKLGILLCR-FQEVSTJZSA-N 436.537 4.619 30 10 IJEE CCCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccccc2F)cc1 2331282047 XHUBPUKSESLXHP-UHFFFAOYSA-N 428.533 4.569 30 10 IJEE COCCC(=O)Oc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] 2331549165 ODJOEBVNHKBPSS-UHFFFAOYSA-N 441.480 4.739 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)cc2)c(OCC)c1 2331731167 HKJQKOYJFDPHFZ-UHFFFAOYSA-N 432.476 4.698 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@H](N)C#Cc3cccc(Br)c3)CCC[C@H]21 2360194131 IKYLAZYELWNESY-IYWMVGAKSA-N 433.390 4.554 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(C)c(C)c2)NCc2ccc(F)cc2)n1 14156866 WSVFTKATYGYJIO-UHFFFAOYSA-N 436.560 4.804 30 10 IJEE CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(Cl)c3)N(CC)C2=O)cc1 14403326 GROKCKCBMCEKEA-YQMDHOPXSA-N 431.945 4.719 30 10 IJEE COc1ccc(N/C(=N\C(=O)c2cccc(C)c2)NCCc2c[nH]c3ccccc23)cc1 32943110 VXALSFZRRXMDKM-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE C=CCN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C2=C1CN(Cc1ccco1)C2=O 34696035 PPHMOPALSPCAME-DEOSSOPVSA-N 441.487 4.621 30 10 IJEE CCCCCn1c(O)c(C(=O)c2cc(Cl)c(OCC)c(Cl)c2)c(C)c(C#N)c1=O 38616789 XHKKISWIGYJZLJ-UHFFFAOYSA-N 437.323 4.861 30 10 IJEE Cc1sc(NC(=O)[C@@H](C)n2c(N)nnc2SCc2ccccc2Cl)c(C#N)c1C 40173224 HKNCPYPOMBXOBG-LLVKDONJSA-N 446.989 4.556 30 10 IJEE COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2OC)C4=O)cc1 41653588 NCKFTDYNQIOUNZ-MYYYXRDXSA-N 443.499 4.715 30 10 IJEE COC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])Sc1nc2ccccc2n1-c1ccccc1 59121519 HBJYNKQRAOXATJ-LKUDQCMESA-N 447.476 4.624 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)cc1F 101189383 ALGWKZBMFWVCGP-UHFFFAOYSA-N 440.544 4.838 30 10 IJEE CCOc1ccc(/C=C2/Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 102719723 OHZCUCTYOARIOS-ZVHZXABRSA-N 430.456 4.824 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1cccc(C)c1 169941849 KUMNYTNZNYYXMR-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2)c1 170064860 SBDBFDXXXBKAKO-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c[nH]c3ccccc23)cc1 170073323 YQLFNMAGJZRBIK-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 170081162 GXUMLIRNXVXTQB-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccs2)c1 170157601 RTGLMAXZNOBFMD-NRFANRHFSA-N 435.501 4.938 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccn1 170174239 SFRYYPAUIKFHQV-QFIPXVFZSA-N 428.488 4.798 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1cccc(OCC(C)C)c1 170219170 CYSXLIRVGUGSFA-QFIPXVFZSA-N 441.499 4.857 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(F)cc2)cc1 170239756 KKFAAALFRSCTLD-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2cccc(O)c2)c1 170264207 IHXZQMPJCHDOLH-HSZRJFAPSA-N 435.520 4.948 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1sccc1C 170312952 DJGGKLKPMOIYJI-HNNXBMFYSA-N 426.321 4.588 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1)c1cccs1 170354257 BCCGDDLELKVRPM-QFIPXVFZSA-N 445.544 4.916 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1cccc(OCc2ccc(C)cc2)c1 170442728 KSJNXOXTAWCSJF-QFIPXVFZSA-N 437.536 4.531 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 170509339 UFJMEWJDLDFCEX-UHFFFAOYSA-N 449.514 4.773 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C\c2cc(C)ccc2O)C1=O 206888808 UCOBGCPCAIRNIC-UYRXBGFRSA-N 425.506 4.643 30 10 IJEE COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1ccccc1 252621811 NHEHBAVKQFQKJV-LJQANCHMSA-N 445.972 4.645 30 10 IJEE C=CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(O)c(OCC)c1 254832782 NNFLJVBGXFBYFI-UHFFFAOYSA-N 445.491 4.891 30 10 IJEE N#Cc1ccc(Br)cc1Oc1ccc(I)cc1[N+](=O)[O-] 308086579 OUZNSXGRJZOACV-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE N#Cc1cccc(CNC(=O)CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 443457138 WKOFFKJOKRBPKL-UHFFFAOYSA-N 443.894 4.675 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 460387923 MUYCGDSXKGJDFK-LJQANCHMSA-N 449.628 4.765 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 460559521 RSRQEDVSYOROAT-UHFFFAOYSA-N 432.503 4.644 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 477292557 NQIKIXOUSHTZGS-IRXDYDNUSA-N 427.344 4.875 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 480693315 BILMYIBVJWVQTN-LJQANCHMSA-N 426.435 4.843 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 508724427 RPJLIRVZUHDOIJ-NHCUHLMSSA-N 448.542 4.712 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])s2)cc1 526603259 BQQDDGNRWDJIMK-OAQYLSRUSA-N 447.472 4.984 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cc(Cl)c(O)c(Cl)c1 526822751 LTJPILDQTSLMKI-RMORIDSASA-N 432.336 4.899 30 10 IJEE CCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(C(=O)OC)c2)cc1Cl 526826282 MNTNONIJALJMDP-FMCGGJTJSA-N 444.944 4.600 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](Nc4ccccc4)C3)n2Cc2ccccc2)cc1 558929072 SNSGGDZNAPHYFT-RUZDIDTESA-N 434.547 4.946 30 10 IJEE O=C(N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 585827253 WXOMKTBRRMWWNS-WHORRGDQSA-N 437.754 4.780 30 10 IJEE CCc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccc(F)c(Cl)c2)cc1 586262294 AEFQAEJELUZXRI-UHFFFAOYSA-N 442.899 4.949 30 10 IJEE Cc1nc(-c2ccc(CNC(=O)CSc3nc(C)c(C)c(C)c3C#N)s2)cs1 609535624 YDELEWKOHBGPIV-UHFFFAOYSA-N 428.608 4.780 30 10 IJEE C=C(COC(C)C)[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693640499 SKUHILGFEPKGMK-ZEQKJWHPSA-N 445.648 4.505 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)c2)s1 740046439 HNLUPQBZAGVFDG-QFIPXVFZSA-N 444.604 4.651 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)cc1 774577144 XZPYTGGHLSWCIY-UHFFFAOYSA-N 447.539 4.664 30 10 IJEE C=CCOC(=O)N1CCC(OC(=O)c2ccccc2SCc2csc(C)n2)CC1 790842123 CUNLSZFYLNOECM-UHFFFAOYSA-N 432.567 4.688 30 10 IJEE C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)NC(=O)C[C@H](CC#N)c1ccccc1 796810138 GBZDEFFRVUQSOH-ZFWWWQNUSA-N 425.337 4.588 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CCCN1C(=O)OC(C)(C)C 804513127 DWLILGHGGGWQGN-GJZUVCINSA-N 442.600 4.613 30 10 IJEE Cc1ccc(-c2cc(C(F)(F)F)nc(NN=Cc3ccn(CC(F)(F)F)n3)n2)s1 1081014523 WEHBODWBGMODLX-UHFFFAOYSA-N 434.369 4.737 30 10 IJEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2ccc(C)o2)n1 1083988408 XMUZNRRUDKKBEH-UHFFFAOYSA-N 444.586 4.775 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(NC(=O)OC)cc1C 1125736365 NTYCQFVLSDOTKU-UHFFFAOYSA-N 435.293 4.903 30 10 IJEE CC[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)Cc1cccc(Br)c1 1126274780 DCXBMRIFQWTLAX-VGOFRKELSA-N 440.385 4.675 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1C#N 1129202504 CZHLBVOCMKZZLP-UHFFFAOYSA-N 425.573 4.929 30 10 IJEE Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(Br)c(C#N)c3)cc2)c1 1129358152 DYOCJSCEUIXVOS-UHFFFAOYSA-N 448.320 4.812 30 10 IJEE N#Cc1nc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)ccc1Br 1130237194 GVGJGJRJSBNJBZ-UHFFFAOYSA-N 436.269 4.612 30 10 IJEE C=CCC1(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1131040274 DEKDOPIBFCVUKD-UHFFFAOYSA-N 447.000 4.536 30 10 IJEE C=C(Cl)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)C(=O)OCC 1132192352 FDABSORVSQILQI-FSSWDIPSSA-N 427.928 4.560 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)c1ccc(Br)cc1 1136169365 JYJSACNYKWRSMY-HNNXBMFYSA-N 431.758 4.838 30 10 IJEE C#C[C@H](NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1141801487 XGBZNJOIBPIKSU-QFIPXVFZSA-N 438.955 4.666 30 10 IJEE N#CCc1ccc(C(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)cc1 1161319157 CIXSDZPTJYSDNP-UHFFFAOYSA-N 445.950 4.947 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2NS(=O)(=O)c2cccs2)C1 1163027839 UGFQZZVVJXEXBS-KRWDZBQOSA-N 438.574 4.578 30 10 IJEE N#Cc1ccc(-c2ccc(Cl)s2)n(Cc2cc3c(cc2Br)OCO3)c1=O 1166412765 DUVCBHGCCIPWHE-UHFFFAOYSA-N 449.713 4.641 30 10 IJEE N#Cc1ccc(CN(Cc2ccncc2Br)c2ccc3nc(O)[nH]c3c2)cc1 1167789447 RNRQZEXLUBCRRR-UHFFFAOYSA-N 434.297 4.504 30 10 IJEE C=CC1(CC(=O)N(C)c2ccc(NC(=O)OC(C)(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1168887870 KIEJAUICTVHOMW-UHFFFAOYSA-N 445.560 4.810 30 10 IJEE C=CCOc1c(Br)cc(CNCCOc2cccc(Cl)c2)cc1OC 1177411457 AUWQQLPAURVZFD-UHFFFAOYSA-N 426.738 4.845 30 10 IJEE C=C(Cl)C[C@@H](Nc1nc(COC)nc2scc(-c3ccccc3)c12)C(=O)OCC 1187305636 FJIFQJPLFGZLRP-MRXNPFEDSA-N 431.945 4.991 30 10 IJEE CCCc1c(NC(=O)Nc2nc3ccc(OC)cc3s2)cnn1-c1cccc(C#N)c1 1197756522 AUEYAIIIFVSJLK-UHFFFAOYSA-N 432.509 4.959 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(C)c2ccc(Br)cc21)C(C)C 1211223593 YZMUOPGDWJDBAT-HXUWFJFHSA-N 434.422 4.955 30 10 IJEE O=C(N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)N[C@@H]1CCOc2c(F)cccc21 1220750552 BOZPHBHCNJMMNF-YAMSLAJTSA-N 428.348 4.858 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCN1CCCCCC1=O)c1ccc(C(F)(F)F)cc1 1223556694 IEUHYCJERYKQFH-LJQANCHMSA-N 425.495 4.805 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 1226706337 MPNXMGYRGYJSEM-UXHICEINSA-N 428.374 4.514 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(C(F)(F)F)c(F)c1C 1264280969 NIQSKQVRFDJKGM-UHFFFAOYSA-N 426.362 4.896 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 1264399388 YQMINCYCAQWEAJ-FQEVSTJZSA-N 446.572 4.655 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1264924216 JMEOBTLHEAQGAK-JOCHJYFZSA-N 430.936 4.810 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1265659119 SGHVZTJAQJITOV-RQNQAMLKSA-N 441.616 4.502 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c(OC)c1 1266416414 SETPBJQADMKYCC-UHFFFAOYSA-N 431.414 4.646 30 10 IJEE CCN(CC)c1ccc2nc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)sc2c1 1274888373 FEWUZPYCOTXSLT-MRXNPFEDSA-N 437.544 4.618 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)NCC3(Cc4cccc(Cl)c4)CC3)CC2)c(F)c1 1275275247 CROBPRODUOKSPD-UHFFFAOYSA-N 425.935 4.706 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2c(OCc3ccccc3)cccc2C(=O)OC)cc1 1277437975 XVALUYUMWUYGHE-UHFFFAOYSA-N 429.472 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=CCC1 1286552897 SMQOTBIEXIRQNX-AZUAARDMSA-N 443.389 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CC1(N(C)C)CCCC1 1286571904 VDTVSQWEAKMWKQ-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1286657038 YZNOWOROVRNUGI-FXAWDEMLSA-N 429.996 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286676410 KNZMETYHXNIJKS-LJQANCHMSA-N 442.579 4.730 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286686017 ZZTAGVAIUIXCJL-YLJYHZDGSA-N 444.421 4.737 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(N(C)C)c(F)c1 1286748633 YHDAMAGIVFSRIW-UHFFFAOYSA-N 448.571 4.848 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1286777849 LOFVRCPAEUSWAA-UXHICEINSA-N 441.645 4.586 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](NC(=O)Cc3ccc4ccccc4c3)C(C)C)cc2n1 1289215348 JMYRDFQDHXDYAQ-SANMLTNESA-N 440.547 4.698 30 10 IJEE Cc1ccc(Oc2ccccc2CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 1290342027 BFPJMKJRDVIYKS-VWLOTQADSA-N 425.532 4.739 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 1291955987 QUJPUMZXMXUUEY-XMMPIXPASA-N 447.510 4.932 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccc(Br)cc1 1298539193 QMMNWINSTXVUNI-GOSISDBHSA-N 439.334 4.867 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2C)C2CCC(C)CC2)cc1 1300233606 QEXMECRUCKXHPS-IWRZYZMASA-N 440.609 4.757 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(Cl)s1 1300592009 ZSTJCTYKKVGXGQ-UHFFFAOYSA-N 438.984 4.700 30 10 IJEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1300675128 KZTBOEFJJHRGHR-SFTDATJTSA-N 448.533 4.518 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC2(CCC2)C1 1300741149 OCUABQPEPGFZBN-KRWDZBQOSA-N 431.005 4.818 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1300876341 SDPKAUYKBZFHDG-YGUHWMBGSA-N 444.645 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCS[C@H](C(C)C)C1 1300880413 ILKPRSNDFZQNIN-COPCDDAFSA-N 442.629 4.513 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1301119621 PWZGSVZUIKHLGU-KDURUIRLSA-N 444.023 4.500 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1301129084 GYDDNQZEOJRBBI-JOCHJYFZSA-N 435.547 4.663 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1301135001 QMWGQEZXXHHURU-DFBJGRDBSA-N 426.605 4.619 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@](C)(C#N)C1 1301207387 VLSNGXJDOJPELH-NRFANRHFSA-N 444.377 4.812 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1301244991 CFQBXCGKUQTOSN-NHCUHLMSSA-N 440.588 4.714 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1301258868 CQZKSKFUGFHDKE-SIKLNZKXSA-N 428.552 4.748 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1301467735 IGBQNQFEDNAXGU-IBGZPJMESA-N 431.378 4.537 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1301620262 DEFUNXDDURSJDQ-JPYJTQIMSA-N 428.602 4.554 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1301970448 FRJMXFWYMSJKRB-GOSISDBHSA-N 448.546 4.981 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCCCCC)nc2sc3c(c2c1=O)CCCCC3 1307238875 FJUWWACMVUSUGL-HNNXBMFYSA-N 433.643 4.700 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCSC[C@H]2c2ccccc2)n(-c2ccccc2)c1C 1307475540 BWUMXICLJVBZMT-QHCPKHFHSA-N 430.577 4.694 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 1310076123 HYYOSMRMQSFVDM-NTKDMRAZSA-N 432.568 4.576 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)c1 1310257173 PAUYFQUOHAKJQC-HZPDHXFCSA-N 431.458 4.622 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1F 1312231712 RZOPHIYLGPKZRE-ZMZPIMSZSA-N 441.703 4.985 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 1312314177 LOUCBZNWNSYURZ-LBPRGKRZSA-N 442.343 4.697 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1)c1ccc(Br)cc1 1312937401 PUCHPXZNMZFSOS-OXJNMPFZSA-N 433.296 4.991 30 10 IJEE COC1(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)C[C@H](C)C#N)CCC(C)CC1 1315269220 BMXCCSLQTQJARL-FAFRJYIDSA-N 447.587 4.526 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](SC)C2)CCC1 1315979334 FKTHHQLYQXZRBU-OAQYLSRUSA-N 439.629 4.745 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCO2 1348805848 JKUNOUQFDROHKL-UHFFFAOYSA-N 438.461 4.797 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1 1358273874 IEGJHXAYLNXYOX-UHFFFAOYSA-N 429.907 4.698 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(N(C)C)c1 1358877690 JEMPVTJBZCHHNA-MSOLQXFVSA-N 433.625 4.704 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1358933384 RPIGOSOZKRLMGG-LJQANCHMSA-N 441.000 4.770 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCO[C@H]1CCCC[C@H]1C 1359003841 ZJLUVRDZQOYHJU-XLIONFOSSA-N 445.405 4.762 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCSc2c([nH]c3ccccc23)C1 1359049006 GIONJDZZVHHTQM-INIZCTEOSA-N 425.627 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](OC)[C@H](C)CC 1359069681 UGNZAWUKBMZPSL-YBGOQADZSA-N 433.556 4.653 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@H]2CCOC2)CC1 1359127273 MSNLEOBUULOMTQ-BJKOFHAPSA-N 438.616 4.666 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1359127771 ZZCWONBZWSAUHN-CALCHBBNSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1359161552 IBJRICLQHIKTLN-LJQANCHMSA-N 438.576 4.520 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1359183233 GODQBDXSTCTQCG-SFHVURJKSA-N 429.584 4.868 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1359200998 YXQRSRWKRRAJHA-NRFANRHFSA-N 437.632 4.989 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(C)CC1 1359222699 PNNJLWWUKJXPSD-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2ccccc21)C(C)C 1359265252 BUDUZQFOTIAFHU-VWNXMTODSA-N 435.616 4.565 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2C[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 1359306916 UZAMNFMCBMHTAA-MDZRGWNJSA-N 438.494 4.561 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)c2nc(C)cs2)C1 1359322763 BPVMATXGJVZDLY-WIYYLYMNSA-N 437.613 4.527 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nccs1)c1cccnc1 1359658571 DPLPTPVOAUZMBK-OAQYLSRUSA-N 443.580 4.744 30 10 IJEE C#CCN(C(=O)CCCOc1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1360552542 VNFNFHFPQSBXAA-OAQYLSRUSA-N 442.353 4.902 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc2cc(C(F)(F)F)ccc2s1 1361288030 GFXVFDGCYJBASP-UHFFFAOYSA-N 427.411 4.933 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1 1435306134 FEZBAUHAXUTOQB-FDDCHVKYSA-N 425.488 4.583 30 10 IJEE C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1435562757 AQHYRFUXTMVVEJ-SFHVURJKSA-N 430.529 4.961 30 10 IJEE Cc1nc(SCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(C#N)c(C)c1C 1435636471 CRSSNCOAKOXTMM-UHFFFAOYSA-N 429.958 4.781 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Oc2cc(Br)cc(F)c2F)cc1OC 1436074529 HZBFGYXVLGSMEX-ALCCZGGFSA-N 425.225 4.920 30 10 IJEE C=CC1(CC(=O)N2CCc3nc[nH]c3C23CCN(C(=O)OC(C)(C)C)CC3)CCCCC1 1452704453 TWFWOLYOZTVMOK-UHFFFAOYSA-N 442.604 4.547 30 10 IJEE CN1c2ccc(Br)cc2N(C(=O)CSc2ccc(C#N)cc2)CC1(C)C 1459857985 DQANEUQMZPGNMH-UHFFFAOYSA-N 430.371 4.674 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 1464921917 ASLPLMDVSSDNTG-CABCVRRESA-N 432.735 4.710 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 1464921931 ASLPLMDVSSDNTG-GJZGRUSLSA-N 432.735 4.710 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1ccc(Cl)cc1 1466657902 FLDNKHWJLYFKAZ-NRFANRHFSA-N 430.957 4.942 30 10 IJEE O=C(NCc1nc(C(F)(F)F)cs1)N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 1466931226 DRDRZHOTNSCJMJ-ZDUSSCGKSA-N 440.344 4.885 30 10 IJEE C=CCCCCCCNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 1470101131 ACTWKHOHHFZTSZ-UHFFFAOYSA-N 436.394 4.946 30 10 IJEE C=CCC(F)(F)C(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1472457752 QJVKTTREVADFMQ-QGZVFWFLSA-N 436.499 4.608 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2ccc(Br)cc2C(F)(F)F)c1 1476150821 PKQILGBCINUFJK-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C#CCN(C(=O)Nc1ccc(CCC#N)cc1)[C@H]1CCOc2ccc(Br)cc21 1477094295 PKNIVNZUZUZUET-FQEVSTJZSA-N 438.325 4.896 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccc(C(F)(F)F)cc1 1478271339 AWQFEBPBHVXCHC-ZCNNSNEGSA-N 440.506 4.722 30 10 IJEE C=CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)[C@H](C)COC 1478373186 PYKDWFDNLIZERU-GCJKJVERSA-N 441.572 4.638 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1CCc1nc2c(s1)CCCC2 1496339360 FWZUTPFWKSOWPS-QUCCMNQESA-N 448.640 4.994 30 10 IJEE COC1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)CC1 1504464774 AGHSDFMCRURFJB-UHFFFAOYSA-N 429.515 4.648 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 1507577639 RWSCDZDJWSXHSC-UHFFFAOYSA-N 443.998 4.852 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCOC(C)(C)C 1507795227 KIJWTVFDQFPTPE-NFBKMPQASA-N 449.599 4.726 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(Cl)c1 1507803569 HSWXNYISYREJCT-NFBKMPQASA-N 437.975 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C1CC1 1507806293 MLQCCJYJFKBUSB-FDDCHVKYSA-N 445.007 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc(CCOc2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 1507821565 HASZJNJYBQSXOW-UHFFFAOYSA-N 445.489 4.764 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccco1 1507840366 ZVMIENAUFPXCSG-QGZVFWFLSA-N 426.586 4.954 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCc2ccccc21 1507847623 BBPULLOBRKTWEK-DNVJHFABSA-N 438.616 4.913 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(CC)CCOCC2)CC1 1507877567 CYFGWNBRDCAXMJ-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1507899805 VFMIJTMNHRGLMO-XMMPIXPASA-N 432.616 4.551 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCOc2cccc(C(F)(F)F)n2)CC1 1507904019 WJKNHVUIERQDHG-UHFFFAOYSA-N 437.510 4.762 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1507917477 PKWXOJGTQPTWCZ-SFHVURJKSA-N 432.634 4.680 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1507967743 NDLKVETXKARQCA-VJBMBRPKSA-N 440.588 4.709 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1C 1508000693 YOBPBSNDJMTYCN-REWPJTCUSA-N 426.568 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CC[C@@H](C)C2)C1 1508119269 ZRZSQXBPKMYOIK-MDPIYQRISA-N 428.552 4.775 30 10 IJEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1509365355 FFGXLBHGHMCZQX-OFNKIYASSA-N 439.604 4.662 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(OC3CCCC3)nc2)c1 1516342963 HXQAITNQAOUSMR-UHFFFAOYSA-N 427.504 4.784 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)n(-c2ccccc2Cl)n1)c1ccc(Br)cc1 1525054775 RGFSZKPMECFPDA-QGZVFWFLSA-N 428.717 4.701 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1525235972 OYUHAOFYJYKUJP-JBYIUTFZSA-N 431.363 4.816 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCc1ccc(Br)cc1)C1CCOCC1 1529521187 COMVBZFMXLOKFN-HXUWFJFHSA-N 444.394 4.900 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC(Cc2ncc(C(=O)OC)s2)CC1)c1ccccc1 1533825224 PXDPYGDQMKRHOP-FQEVSTJZSA-N 426.582 4.851 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccnn2Cc2ccc(Cl)s2)cc1OC 1537071882 DUXUONIBUKZYQV-WEVVVXLNSA-N 429.929 4.872 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2cscc2Br)CCCN1C(=O)OC(C)(C)C 1537164034 DAUVDDNRUIZVCE-IBGZPJMESA-N 443.407 4.815 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCC(C)C 1539307561 VWHKMIKCZYUCNM-UHFFFAOYSA-N 443.389 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Cc1cccs1 1539547185 UUEVVAICMFUFJV-OPAMFIHVSA-N 425.989 4.926 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)C1 1539578670 BKPYTJPETKUIGR-GDBMZVCRSA-N 435.366 4.572 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(=C)CC1 1539579927 DXDUWYWKJHPREH-UHFFFAOYSA-N 444.196 4.834 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1539735201 KTKMNBYVTPWTEW-OAQYLSRUSA-N 442.947 4.671 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1539790330 HOUFZPMLVYATIL-GOSISDBHSA-N 438.988 4.972 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)c2ncc(C)s2)CC1 1539859112 KZPKNCJKCWBDAJ-KRWDZBQOSA-N 439.585 4.591 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1539900100 HNLXEGLGWBIQLF-IBGZPJMESA-N 439.604 4.753 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC)[C@@H](C)C1 1540013680 BTGKZXUMEUIHNF-INIZCTEOSA-N 438.403 4.661 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H]1CC 1540029140 NCQUCMASXMUGCY-CABCVRRESA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOCC1CCOCC1 1540058163 QTQNVWAIGWMKFR-UHFFFAOYSA-N 439.387 4.707 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1540133161 CMZNYOCKQKXATD-NZQKXSOJSA-N 433.531 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1540133947 MFMJEQHNNVVDBZ-FYYLOGMGSA-N 433.531 4.653 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C 1544280119 RSHLSOQMEHZPJE-QVKFZJNVSA-N 435.442 4.881 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](c2ccccc2)[C@H](O)C(C)C)s1 1557654646 LMYZKHAKGKFSRI-RTBURBONSA-N 425.019 4.713 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)cc1 1562559564 TXJBFXPMHUNMSL-SANMLTNESA-N 449.595 4.800 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)c1ccc(Cl)cc1F 1563534877 PFGNRNAGSBHHHN-YADHBBJMSA-N 431.939 4.544 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C 1564031617 ZXOORBKJQHKZOL-IMSXRSKXSA-N 438.593 4.689 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 1564313806 FJRKPAMDAIFHIU-HXUWFJFHSA-N 447.348 4.790 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C)n(C(C)C)n2)nnc1-c1ccc(Cl)cc1 1585312615 SQMIMVRRXDGZTF-UHFFFAOYSA-N 430.965 4.601 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1594226813 SIZUWQFZJIFSAC-UHFFFAOYSA-N 435.572 4.671 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1594583136 YEIXAZKBOFHFPD-IBGZPJMESA-N 443.592 4.944 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)cc1C(F)(F)F)C1CC1 1595054794 RAQNLCNKXUTUSC-IBGZPJMESA-N 436.478 4.750 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1C(F)(F)F)C1CC1 1595054795 RAQNLCNKXUTUSC-LJQANCHMSA-N 436.478 4.750 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1cccc(Br)n1 1595261762 URCGEYAGJSJFMC-UHFFFAOYSA-N 444.377 4.511 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1595303684 YEALBOFPNSMHEP-AQYVVDRMSA-N 437.975 4.675 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=C)Cl)C1 1595700455 OEACWADTYRDNDE-LJQANCHMSA-N 440.931 4.651 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCS2)cn1 1598357326 FWBHSHQJJCHPQS-DEOSSOPVSA-N 447.612 4.652 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1606957265 DTFHWJRLJXVWQH-IBGZPJMESA-N 444.624 4.569 30 10 IJEE N#Cc1cc(F)c(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1Br 1611916959 CIEAZUABSHAXRE-LJQANCHMSA-N 438.728 4.599 30 10 IJEE CCC[C@@H](C)OC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F 1615950603 VMLSVDHODNDXRE-RXMQYKEDSA-N 431.217 4.870 30 10 IJEE C=CC1(CC(=O)NCc2ccc(C)cc2OCCC(C)C)CN(C(=O)OC(C)(C)C)C1 1622060432 ABHHSYJBZIDGJD-UHFFFAOYSA-N 430.589 4.849 30 10 IJEE Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(OCc2ccccc2)c1 1622910963 AEGBNRIKTGYAAI-UHFFFAOYSA-N 444.510 4.939 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@@H](CCOC)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1623502822 VQTPQQHNHVSVQR-DFBJGRDBSA-N 428.573 4.889 30 10 IJEE C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1624973339 DZVGTISNEKWBLR-MRXNPFEDSA-N 436.512 4.917 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC(CC)(CC)c3ccc(Cl)cc3)ccc2c1=O 1626418914 SQNHOFPWIYYDFL-UHFFFAOYSA-N 441.984 4.970 30 10 IJEE Cc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)ccc1NC(=O)OC(C)(C)C 1630270883 DLIVJZZFLIRGEN-UHFFFAOYSA-N 436.512 4.961 30 10 IJEE CCN(CCC#N)C(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1630823946 HPUSGOZBXNXBSW-UHFFFAOYSA-N 441.597 4.778 30 10 IJEE C#CCN(CC(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)OC(C)(C)C 1633200275 JODWNOIYUXPGDM-CQSZACIVSA-N 447.988 4.819 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1nc(-c2ccccc2F)cs1 1634100365 WSMYGKGSJCEBMF-UHFFFAOYSA-N 434.496 4.630 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C(=O)OCC 1635699854 YQJQUZGTCYPOLN-SFHVURJKSA-N 440.569 4.677 30 10 IJEE C=CC[C@@H]1CCN1C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1636893366 AMZWNAOUBVHOME-GDBMZVCRSA-N 425.579 4.863 30 10 IJEE C#CCN(c1cc(C)nc(-c2cccnc2)n1)[C@H]1CCOc2ccc(Br)cc21 1639482199 MKYMLYPIQQKSEY-IBGZPJMESA-N 435.325 4.573 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2)nnc1-c1ccc(Br)cc1 1640709633 NAFMYQXDUVGNKW-UHFFFAOYSA-N 444.354 4.973 30 10 IJEE C=CCC1(O)CN(C(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)C1 1644588854 IPODYTIRKJGESE-IRFCIJBXSA-N 445.625 4.546 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1 1645275804 IGSUCWTXDGLBBK-KRWDZBQOSA-N 426.561 4.834 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 1650737175 AJXPSCXMKDBJNN-KRWDZBQOSA-N 437.588 4.614 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)c1 1653113889 NNWVMQUAZWNTNZ-FQEVSTJZSA-N 449.860 4.729 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)cc1C 1661194522 IITBUGULKNFSDT-UHFFFAOYSA-N 428.779 4.830 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccc(F)c(F)c1 1666506417 GCPBZWNGKZVXLO-QFIPXVFZSA-N 431.552 4.995 30 10 IJEE C#Cc1cccc(NC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)c1 1667090300 PLIMHBZLGLDDKP-HXUWFJFHSA-N 425.573 4.949 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1 1671797459 AZAXIMYOWRRAIT-GFRNBQLOSA-N 449.599 4.835 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1680258218 DHDOIJZZLBFOMP-LEWJYISDSA-N 428.577 4.562 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(F)c(F)c1 1681783173 FKTVYYPHMQZGEC-PWHSHALESA-N 435.515 4.813 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1)c1ccc(Cl)cc1F 1683688900 JMCCQMBEQNCAEA-DHIUTWEWSA-N 427.951 4.705 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1690001385 JNWDNQDYPIOPMY-PZJWPPBQSA-N 443.620 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@@H](C)C1 1690034807 RWVFUOHDHWZIFA-MSOLQXFVSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1C[C@H](F)C1 1690053496 CDGZOYBYMSAUOJ-SAABIXHNSA-N 449.357 4.765 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)CC)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1690058766 ARICCFHOSYYBPU-SFHVURJKSA-N 425.577 4.841 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1sc(C)nc1C 1690063411 BTWUHQBBDDSCNR-CQSZACIVSA-N 425.627 4.713 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)C(C)C 1690258263 AGCAQQLVCGCURU-SFHVURJKSA-N 427.412 4.579 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1690265026 IRYFPGCEGITKSD-ZEQRLZLVSA-N 437.632 4.720 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CCCCC2)CC1 1690396430 BJVJRFOFWRNHAQ-GOSISDBHSA-N 428.552 4.655 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690436500 UHSQAJLYPYUIRG-MRXNPFEDSA-N 441.567 4.606 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1690506378 MDMJYKTZAKRVHM-KRWDZBQOSA-N 447.505 4.808 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC 1690559400 FFYMWFQAYXXAIJ-UHFFFAOYSA-N 446.555 4.506 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C1CC1 1690581150 LPOUYNZQZXDYSV-IYBDPMFKSA-N 429.590 4.638 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1690611456 MKRSWJSZDOILFH-LJQANCHMSA-N 446.039 4.748 30 10 IJEE CC(F)(F)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1692746388 AYACCFMXOHLJIE-UHFFFAOYSA-N 442.558 4.564 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)(C)C)cs1 1694592904 CKDCSDNCHJKBSP-IBGZPJMESA-N 438.601 4.533 30 10 IJEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1705529781 OTSMVCVAQZYXGO-KRWDZBQOSA-N 430.936 4.790 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCSC1(C)C 1705546948 QRGGKGVRRLOOBW-SFHVURJKSA-N 436.581 4.718 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1ncc(C)s1 1705555816 AYIYQLJZSFCSEL-QGZVFWFLSA-N 437.613 4.793 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1705603974 BVDVCJSBBHTMGP-KRWDZBQOSA-N 439.560 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1705694092 NWHDNRYGBVHOPE-IGABQKFOSA-N 438.616 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705701310 ANRYKMVCRFZPEV-FXAWDEMLSA-N 445.489 4.910 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1705723474 WKWBQMZAHQTUFU-FQEVSTJZSA-N 441.938 4.894 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](CC(C)C)C1 1705724993 DGQPCGSLBHCEMS-WOJBJXKFSA-N 431.625 4.841 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](CC)C1 1705732362 XBMYRPASTCOXED-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(F)(F)F)CC1 1705750289 YDNVIJRXVADERU-UHFFFAOYSA-N 429.830 4.775 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@H](C)S[C@@H](C)C1)C(C)C 1705867903 XSWXTNURTVPDBW-QNWVGRARSA-N 439.673 4.974 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCOc1ncccc1F 1705868509 QEMPUALRAZXLJB-UHFFFAOYSA-N 429.565 4.734 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC2CCC(OC)CC2)C1 1705919774 KQGKPMUOTAXBDX-HQNXYIODSA-N 438.616 4.884 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1706074658 BYFPNYNIQWAIDN-GGAORHGYSA-N 434.632 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(OC2CCCC2)c1 1722280371 WUTPJLIXWUWTQD-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)c1ccccn1 1722281895 ZRZSVRIXGLZXPY-TZIWHRDSSA-N 431.584 4.866 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C)=C(Br)C1 1722312188 XZMFHGFEBSVCMD-UHFFFAOYSA-N 429.362 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)CCC(C)C 1722467193 OBMGNEALCLIGIP-OWAUWMPXSA-N 442.579 4.737 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2csc(C)c2)CC1 1722561031 MRKPVXFLDSOZBB-UHFFFAOYSA-N 440.569 4.546 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722583870 REAFCXSLSFPWTD-LJQANCHMSA-N 444.645 4.837 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1722596105 CFVAIPZIZCLVGO-QFIPXVFZSA-N 447.627 4.943 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2ccnn2C)CC1 1722611769 BGAGKFYIJUJXRP-UHFFFAOYSA-N 428.943 4.821 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(C)C)C1 1722623881 NEQOGMDAQLTRFG-OAHLLOKOSA-N 439.423 4.844 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1722646230 KMQQIBUPDRLUIS-AEFFLSMTSA-N 445.405 4.843 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cc(C)cs1 1740713938 NWSUNBNVRKLAID-UHFFFAOYSA-N 433.606 4.866 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCc2cccc(Br)c2C1 1740751931 QAAWRGKLPZLJHY-YLJYHZDGSA-N 445.405 4.708 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1)c1ccccc1 1740854091 CTWCYAIMRFQVLX-ZJSXRUAMSA-N 435.616 4.648 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1740866647 KDJFHLVRQWMBND-UHFFFAOYSA-N 437.510 4.516 30 10 IJEE C=CCCCCn1c(N2C[C@@H](C)S[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740867156 ZQBHNEWHGJHNHO-MKXGPGLRSA-N 449.665 4.735 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@](C)(C#N)C1 1740870423 NRVGTMGEBUQZDH-FQEVSTJZSA-N 432.341 4.943 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@@H](C)C1 1740876055 NHUGWHJEEIYYMU-VAMGGRTRSA-N 431.625 4.841 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(CC(F)F)CC1 1740881326 DFVNSDBYOCAFAS-UHFFFAOYSA-N 441.979 4.577 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1sc(C)nc1C 1748640072 QEUGLXQVDFPIKO-QFBILLFUSA-N 437.613 4.809 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1748732113 SRJJLCNEQPUZGB-YADARESESA-N 440.613 4.564 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1cn(CCCCC)nc1C 1748881981 IBIWGORRDJAHIN-UHFFFAOYSA-N 449.002 4.805 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1749044230 PGOHZWVOPWGAGB-HXUWFJFHSA-N 426.630 4.713 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2csc([C@@H](C)OC)n2)CC1 1749312190 DYMHWPQOTDHAHI-GOSISDBHSA-N 439.585 4.534 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749357494 SCVSSIGZHYDVSG-UHFFFAOYSA-N 448.590 4.971 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749391836 SUQVMUQQRFFXRN-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1749454467 HLHHEYXVQPBCNV-UHFFFAOYSA-N 431.531 4.647 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2CCC(OC)CC2)C1 1749695364 AOQUSAIDXBWWTK-UDJZJCJKSA-N 445.007 4.975 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCC1CC1 1760328122 QSVKIFAQOVROGW-GXRSIYKFSA-N 430.637 4.804 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](N2CCCC2)C1 1760366548 CHTBVHFUEDHLLT-RTWAWAEBSA-N 444.023 4.852 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C=C)CC1 1760426541 WPIOAORVQJKXNW-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1760429382 AOKGEZQGLZUDFZ-UHFFFAOYSA-N 441.938 4.964 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760430966 ZXZJKSPKXDQYRA-LIMIJEPZSA-N 442.629 4.533 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760441338 FDKYLIJHEHTYMH-NRFANRHFSA-N 442.677 4.692 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760444197 ZQSKZVWGLOIGQE-XLIONFOSSA-N 439.362 4.983 30 10 IJEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1760453261 ZKSWNYXFYNERPG-UHFFFAOYSA-N 434.584 4.838 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cc(Br)cs1 1760461234 ZKIBHDDFJZGZHG-UHFFFAOYSA-N 442.386 4.931 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cccs1 1760499089 NSAAVZXOPONINT-RUZDIDTESA-N 445.592 4.544 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1862382521 CXTAXDCWAVJLBS-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1F 1862432962 QXUOIXMSOVKKGD-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1c(F)cccc1Cl 1862459802 DYPXDZKQYDOEBI-KRWDZBQOSA-N 427.781 4.883 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1F 1862636358 FOZWIONQFYQFDY-HSZRJFAPSA-N 431.463 4.655 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 1862649893 IZUPIKWOJYMVMZ-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2cccnc2)n1 1868553548 QSLLYNKYTCVZNG-XMMPIXPASA-N 436.523 4.637 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1 1868781153 FBNWRUPLPIXYMV-AREMUKBSSA-N 431.536 4.902 30 10 IJEE CCCCCCCOc1cn(CCC2=CCCCC2)c(CSc2nnnn2C)cc1=O 1870259763 HYGJNIGWTYTPTF-UHFFFAOYSA-N 445.633 4.904 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(CCCCN(C)C)CO2 1871355127 SYINOGMDTIVVHY-OYKKKHCWSA-N 445.563 4.597 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2C)C1=O 1871374534 PKKQYCRBEIXFQP-XKZIYDEJSA-N 429.428 4.976 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc3C2=O)cc1 1871380702 CRTUTNGNILJCFS-UUYOSTAYSA-N 436.847 4.949 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)c(OC)c1 1871386340 POMGGEVAJAMUKE-FMCGGJTJSA-N 432.428 4.548 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC2=CCCCC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871494797 KEZZZYYFPJWDDU-UHFFFAOYSA-N 439.007 4.902 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)C1CC1 1871798091 MCUXQGGCTIBBGF-UGSOOPFHSA-N 433.401 4.717 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871885679 BIEHSLBNOOSGOP-OAQYLSRUSA-N 434.989 4.797 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 1871895400 RZGGRQNHSSTPED-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)CC 1872217750 VBPSJYICNRPPMZ-HSZRJFAPSA-N 428.598 4.997 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872382159 XMFOWLNHJAQUSX-KKSFZXQISA-N 436.524 4.585 30 10 IJEE CC(C)N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872759769 ZFUCIUHZCZYDPT-LEWJYISDSA-N 429.545 4.910 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCCCN2CCCC2)C1=O 1873161665 PXYYZQDBIYYFFB-UHFFFAOYSA-N 425.617 4.593 30 10 IJEE O=c1c(Br)c(N/N=C/c2c(Cl)cccc2Cl)cnn1-c1ccccc1 1873526080 LYCBELAQHPIGHQ-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N(CC)CCO)ncnc2n1CCC 1873575185 UIRFDZKJDRESFX-UHFFFAOYSA-N 431.625 4.530 30 10 IJEE CCCSc1nnc(CCc2ccccc2OC)n1/N=C/c1cc(Cl)ccc1O 1874313586 BMBZWNTZHJGVNM-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE CCCOc1c(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCC)cccc1OC 1874380435 SMRQDRJVPLGQFT-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)c1 1874421834 GRTQSINZCWGRML-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2)cc1C 1874483450 WYFLENSHRPLTHI-DHRITJCHSA-N 439.560 4.945 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2cccc(C)c2)nnc1C1CC1 1874516380 UYLZHPUPHQYCFB-ZMOGYAJESA-N 438.553 4.664 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2Cc2ccccc2F)ccc1OCc1ccccc1 1874561895 PXNGYRNJNWYOEK-CVKSISIWSA-N 448.523 4.767 30 10 IJEE COc1ccc(Br)cc1/C=N/n1c(S)nnc1CCc1ccc(C)c(C)c1 1874564633 MMRLPKRDUFFWDA-WSDLNYQXSA-N 445.386 4.622 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c([N+](=O)[O-])c2)cc1 1874609553 XYSGVNWBMABUTA-WUXMJOGZSA-N 446.459 4.825 30 10 IJEE COc1ccc(C(=O)Oc2cc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)cc1 1874693084 MLKAFIKLROFUJH-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)COCc1ccccc1 1874698326 QOOIXUZWOJJVTQ-NTUHNPAUSA-N 447.443 4.622 30 10 IJEE Cc1cc(NC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)ccc1Cl 1892138172 ZDIHFJKYUBHIME-NHCUHLMSSA-N 427.957 4.552 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1c(Br)cccc1Br 1937850857 VYURNMWAKQWXEM-CYBMUJFWSA-N 445.151 4.701 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1978260651 KSQIRSRKMVAUDC-KUHUBIRLSA-N 435.487 4.715 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@]1(O)CCN(Cc2ccccc2)CC12CCC2 2037432714 RLXSAEXAGCVEMC-XTEPFMGCSA-N 434.624 4.545 30 10 IJEE N#Cc1c(C2CCC2)nn2c(=O)cc(-c3ccc(C(F)(F)F)c(Br)c3)[nH]c12 2080989852 OFRLPVKDPKFFKZ-UHFFFAOYSA-N 437.219 4.610 30 10 IJEE N#Cc1cnc2c(-c3ccc(I)cc3)c(C3CCC3)nn2c1Cl 2081444002 MUOBDBLMJQXVIZ-UHFFFAOYSA-N 434.668 4.793 30 10 IJEE Cc1cc(Br)c(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1Cl 2107486529 NZOLBRVUZUJTFC-UHFFFAOYSA-N 428.563 4.766 30 10 IJEE CN(Cc1ccccc1)C1(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCCCC1 2151200352 VVDJFKAFRZFWOQ-UHFFFAOYSA-N 448.460 4.910 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2151267795 VZXNBQVBMFVJML-OOSCYNTBSA-N 446.444 4.613 30 10 IJEE CC(C)(C)OC(=O)N1CCc2c(cccc2Nc2cc(Br)cnc2C#N)C1 2167616884 MRCOBUVACKLYPS-UHFFFAOYSA-N 429.318 4.753 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](Nc1ccc(C#N)c(Br)c1F)C2 2234569477 CSVBMTQAPRNEDR-NOLJZWGESA-N 438.341 4.907 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)CCC1CCN(C(=O)OC(C)(C)C)CC1 2235717016 IOMXKBARUQLXAM-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@](C)(CC(F)(F)F)NC(=O)OC(C)(C)C 2235735615 ZTNXAWDYRZYKEN-CRAIPNDOSA-N 449.311 4.624 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C=O 2243899726 KZSUIEVVOIDJDB-UQBPGWFLSA-N 448.563 4.520 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CCC2)c1C 2247831664 BTFOMSQRBIYPEN-UHFFFAOYSA-N 425.403 4.859 30 10 IJEE C=CCCC1([C@@H](O)Cc2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266237750 DZKXWFGRDQMRLR-KRWDZBQOSA-N 428.342 4.695 30 10 IJEE COCC#C[C@H](OCCCN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2276714286 VAQXFLITGXTSJS-SANMLTNESA-N 445.559 4.901 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)c(Br)c1)CC1CCCC1 2288110846 DKDQATRVZAUREN-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@H]2CCC[C@H]1N2C(=O)OC(C)(C)C 2294938841 YVCKRDIWGLQOAG-HNBVOPMISA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C(=O)C#Cc3cccc(Br)c3)CCC[C@@H]21 2296223226 ZZEOXLJFAPHHFD-QYZOEREBSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](O)C#Cc2cccc(Br)c2)CCC2(CC2)CC1 2296225556 WLAOREGAZKPXFI-GOSISDBHSA-N 434.374 4.779 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(CCF)CCCN1C(=O)OC(C)(C)C 2296228038 VIOJXXYYBCCONH-WIYYLYMNSA-N 439.369 4.518 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2cccc(Br)c2)CC2(CC(F)C2)C1 2296233405 XKUDCQLJDKCMCL-UHFFFAOYSA-N 436.321 4.545 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC[C@H](N)C#Cc2ccc(Br)cc2)CC1 2296292679 BBINBBBTVVKFGS-FQEVSTJZSA-N 435.406 4.945 30 10 IJEE COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)cc1 2296867310 IAFDSUQXEQJRQI-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1 2297740931 OIUVGBDUWFNQEL-DEOSSOPVSA-N 443.499 4.937 30 10 IJEE CC[C@H](C)[C@@H]1C(=O)C(=C(O)[C@H]2[C@@H]([C@]3(C)O[C@@H]3C)C=C[C@H]3C[C@@H](C)C[C@@H](C)[C@H]32)C(=O)N1C 2297748858 NPWKEUKXVOMELT-OLBVMLGSSA-N 429.601 4.532 30 10 IJEE C[C@@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CN(C)C(=O)OC(C)(C)C 2317350932 ZZEHSEHCFCEPKZ-QGZVFWFLSA-N 432.370 4.608 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)c(Cl)c2)cc1C 2321229965 NSSPJQSTCSQMSO-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COCCc1nnc(S)n1N=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2321911691 FBMBLUCDTOPCDD-UHFFFAOYSA-N 437.352 4.524 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)cc1OC 2321936834 MBOGKEMUWCCVNX-UHFFFAOYSA-N 443.499 4.715 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN(CCc1ccccc1)CO2 2322286824 NMOZATGBTBRIMN-UHFFFAOYSA-N 441.483 4.735 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(F)c(C)c2)cc(Cl)cc1OC 2322634683 JOPLVWBOWPIKKO-UHFFFAOYSA-N 433.907 4.939 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2C)C1=O 2323310441 LKNUMLCJJMJCSA-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE C[C@H](NC(=O)COc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 2323812657 PVYKTMIDKGONFB-SFHVURJKSA-N 430.460 4.747 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1 2324983458 BJBWXTAYMOIVPE-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(C)cc4)c3C)C2=O)c1 2325715524 CZGVBZZHSCYKTB-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2325747470 IKIDAUWVDYAPPE-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(N(C)C)cc1 2325940757 DVQBHVHMSNBAJA-UHFFFAOYSA-N 444.402 4.692 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)c(OC)c1 2326118115 ZUHSVPQBGPOSFE-UHFFFAOYSA-N 446.960 4.836 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(OCC(C)C)cc2)cc1 2326783726 GYPJKBPIJYCAHG-UHFFFAOYSA-N 438.553 4.582 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1O 2328075448 JCDKXRWUPNRXMO-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE CC(C)(C)OC(=O)N1CCC(=NOC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 2329921996 VRYDTQJEXJYQNJ-UHFFFAOYSA-N 440.340 4.878 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1cccs1)Nc1ccc(F)cc1 2330641056 GBZRQSMDJCRSHS-UHFFFAOYSA-N 437.525 4.759 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC(=O)COC 2330669651 FFWKMNNKAKGEJX-UHFFFAOYSA-N 435.432 4.595 30 10 IJEE CCc1ccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2[C@H]2CCCO2)cc1 2330935297 UPDIAHOLRWCHHZ-HXUWFJFHSA-N 437.525 4.775 30 10 IJEE O=[N+]([O-])c1ccccc1C=Nn1c(SCc2ccccc2F)nnc1C(F)(F)F 2331136361 MQRLMAHREIUPEN-UHFFFAOYSA-N 425.367 4.519 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339586441 FZSFHJJACQPINF-OFNKIYASSA-N 433.405 4.906 30 10 IJEE C=CCN(C[C@@H](NCC)c1cc(C)cc(Br)c1OC)C(=O)OC(C)(C)C 2339687534 WYPNTOAVJSVTGN-QGZVFWFLSA-N 427.383 4.840 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2OCc2ccc(F)cc2Br)OC1(C)C 2364938310 YGDJNQOSCBIKBZ-UHFFFAOYSA-N 442.521 4.515 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nncs2)c1 35490133 WQPNNRGTKFEKHU-FQEVSTJZSA-N 445.500 4.576 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 38593410 UKSLFFZWMDGIJD-RDPSFJRHSA-N 445.515 4.699 30 10 IJEE C=CCn1c([C@@H](Cc2ccccc2)NC(=O)c2c(C)noc2C)nc2ccc(OC)cc21 43255466 JHVXMMNXWFGGCU-OAQYLSRUSA-N 430.508 4.550 30 10 IJEE CCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1 96349295 AVHUYZBNKBKBJH-UHFFFAOYSA-N 426.516 4.537 30 10 IJEE CN1CCN([C@@H]2/C(=N/C(C)(C)C)N(c3cccc(C(F)(F)F)c3)C(=S)C2(C)C)CC1 105421802 KKRCCNUGBWABHE-XUOUEFSESA-N 440.579 4.692 30 10 IJEE C=C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 111174906 OMBVQEJSWFYEOM-UHFFFAOYSA-N 425.337 4.586 30 10 IJEE COC1=C/C(=C/Nc2cccc3c(N/C=C4\C=CC(=O)C(OC)=C4)cccc23)C=CC1=O 135972717 ZCSSEILQZQUJAP-YTEMWHBBSA-N 426.472 4.770 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929416 OBMPYPKXOBLEHF-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2cccc(C)c2)cc1 169966940 AZSSSCXZWQJOKL-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169988230 NGYMCFVYFQGLTH-GOSISDBHSA-N 442.399 4.717 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(F)cc2)c1 170063984 JBMNFOVKSLURRR-NRFANRHFSA-N 439.389 4.895 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(O)cc2)c1 170132630 MHASFGIAODIQCP-QHCPKHFHSA-N 429.472 4.964 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(OC(C)C)c1 170152744 XJYKACNXZSSBJM-XMMPIXPASA-N 445.515 4.852 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2cccs2)c1 170153773 NLSRQQULQJCFAL-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccs2)c(OC)c1 170163801 NEIDFNAVCZHOAJ-FQEVSTJZSA-N 427.522 4.676 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1cccnc1 170183870 ZPLQHKCKYFHHSC-JOCHJYFZSA-N 436.552 4.691 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)cc1C 170184225 DDTHBEBYIBMPQA-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccccc3)oc12 170231301 NNSGQHQOGWBALF-JOCHJYFZSA-N 440.455 4.615 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1sccc1C 170317259 XVRNCSVCFLPWGT-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)o1 170401249 DVMSULXWXPDHJT-QGZVFWFLSA-N 433.338 4.863 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)/C=C\c1c(C)nn(C)c1Cl 206941602 MGKYNPCRMGZRIH-VURMDHGXSA-N 426.717 4.512 30 10 IJEE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=NNC(N)=S)ccc21 254592582 GBBBNYDJLGOTRM-UHFFFAOYSA-N 438.560 4.834 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 426158452 CMXDXCBRYBBOHV-UHFFFAOYSA-N 438.528 4.680 30 10 IJEE CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 427869298 WACVJVOLOBGUNF-DEOSSOPVSA-N 449.551 4.625 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)C[C@H]2CC)cc1 461986019 NZFLUEHAIDBOLV-HSZRJFAPSA-N 432.568 4.634 30 10 IJEE C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CN[C@@H](C)C(=O)OC 504752323 DCXYEWBJSCNEGI-POBGGYHUSA-N 445.600 4.815 30 10 IJEE biogenic Cc1ccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 523478503 YVGDBNGQXORLPF-FQEVSTJZSA-N 441.531 4.613 30 10 IJEE C=CCN(C(=O)c1cc2ccccc2cc1OC(F)F)c1nc(C(=O)OCC)cs1 534140631 IXSNYKDFZYZQSC-UHFFFAOYSA-N 432.448 4.907 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCc3ccccc32)CC1 555267721 ALSOHYOQIRORPL-UHFFFAOYSA-N 441.579 4.635 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 558995782 NHPCNKJRUWMOPN-GOSISDBHSA-N 431.378 4.537 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)c(F)c1 609229584 ZURMYLHHHZSEFG-UHFFFAOYSA-N 429.245 4.562 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc2)c1 609426970 DCGYBLOECUJNAH-HSZRJFAPSA-N 427.460 4.720 30 10 IJEE CCc1ccccc1N=C1S[C@@H](CC(=O)NC)C(=O)N1Cc1oc2ccccc2c1C 734295689 IKAVYGCYQDJCNL-NRFANRHFSA-N 435.549 4.571 30 10 IJEE COc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)cc1C#N 747071233 RJXBBCKXOASGND-UHFFFAOYSA-N 445.544 4.536 30 10 IJEE N#C[C@@H]1CN(C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1C1CC1 779505466 GVMFFXOLFFALMI-GOSISDBHSA-N 430.430 4.702 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1=S 799941953 IGAFCXVINYBMQJ-NRFANRHFSA-N 448.640 4.561 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cc(Br)cs2)n1 803520804 YRQZPXJHAWIPLM-MRXNPFEDSA-N 445.407 4.927 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c2ccccc12)c1ccc(Cl)cc1 810469824 BFDILRYCURRCKW-GOSISDBHSA-N 441.712 4.685 30 10 IJEE C#CCN(C(=O)c1ccc(OC)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1126150728 GJDMYWRQGMMLKK-GOSISDBHSA-N 434.717 4.710 30 10 IJEE C#CCN(C(=O)[C@H]1Cc2ccc(C)cc2S1)[C@@H]1CCOc2ccc(Br)cc21 1126229952 UINZNBONZFPEMO-WIYYLYMNSA-N 442.378 4.760 30 10 IJEE C=CCOc1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 1126453428 ZWDQFPSNLGMIIR-UHFFFAOYSA-N 449.956 4.689 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)CCCN1C(=O)OC(C)(C)C 1127109245 ZAACGCDGZQWYNT-SANMLTNESA-N 444.535 4.757 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)c3cc(Br)c4nccn4c3)c2C#N)CC[C@H]1C 1129354695 ADBICAPVMFDWPN-MNOVXSKESA-N 429.343 4.968 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OC)cc1OC1CCCC1)c1ccc(Br)cc1 1129610583 NETRGUAWCIODAT-FQEVSTJZSA-N 428.326 4.883 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)cc(Br)cc1C 1142689090 WVZCZPXNPVPMAG-SFHVURJKSA-N 439.394 4.932 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(Cc3cccc(F)c3)C3CCCC3)ccc2c1=O 1144156717 PHHYIIQBPXPJSE-UHFFFAOYSA-N 437.540 4.595 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 1171113344 PRWUQQHRORHZBA-GOSISDBHSA-N 426.479 4.840 30 10 IJEE C=C(C)CN(C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(OCC)cc1)CC[C@@H](C)C2 1174741925 GUKMCKIRIHITND-QGZVFWFLSA-N 440.609 4.949 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(Br)sc1Cl 1208462124 PAHRQKXPAVIFPT-UHFFFAOYSA-N 436.780 4.550 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc(F)cc1 1217614417 OGTZXLQPQAAGPH-OAHLLOKOSA-N 436.390 4.739 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](OC)c1cccc(OC)c1 1219084792 ZFJAYTCZHMLDJH-LJQANCHMSA-N 435.318 4.532 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)Cc3cc(OC)ccc3Br)cc2n1 1220157192 AFQQKPDHQJLAGF-UHFFFAOYSA-N 429.318 4.657 30 10 IJEE CC(C)C[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1cccc(C(F)(F)F)c1 1221705114 HSHRMSKCQIVFHB-NRFANRHFSA-N 445.489 4.591 30 10 IJEE COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 1267905239 IDUKDEKVJSRHAW-SFHVURJKSA-N 428.488 4.741 30 10 IJEE C#C[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccc(F)cc1 1275425657 KWMYDZARZDWWLF-FQEVSTJZSA-N 430.310 4.968 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1oc(CC)nc1C 1286277282 XRDYNAHRCPREKP-KRWDZBQOSA-N 442.567 4.718 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(OC)CCC(C)CC1 1286277946 JIXGQPMZPVQPLA-PYQXHLOTSA-N 428.552 4.610 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC1CCCC1 1286299755 YOHBQHQNMMBYMU-TZIWHRDSSA-N 443.636 4.821 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OC(C)C)CC1 1286316751 LRUYMPUCBNPONH-UHFFFAOYSA-N 431.584 4.999 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286356157 BYFPLZVCKWMQHP-OAHLLOKOSA-N 426.870 4.703 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCC1 1286452679 SIPLAIXXMVBEEI-HXUWFJFHSA-N 444.023 4.634 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC)CC1 1286561392 DCSGGHXJCGCXBL-GXRSIYKFSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1286594098 ZQSOFKJRJPKGMV-PZJWPPBQSA-N 443.636 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1286640724 NSOVKZHIUNLZSX-UHFFFAOYSA-N 433.556 4.533 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCCCOC)CC1 1286650228 ZGSCPCQOIVWECF-UHFFFAOYSA-N 449.393 4.593 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCCCC2)CC1 1286695400 WBEWXFXZEZRJPR-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N2CCCC2)nc1 1286719610 PQYBGNBSYULGEL-UHFFFAOYSA-N 430.600 4.908 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cccc(OCC)c1)C1CC1 1286739297 XKWYJBNXBXBZMA-DHIUTWEWSA-N 438.616 4.993 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)cc1C 1286748136 QFSPOXRPVQGFQA-UHFFFAOYSA-N 446.624 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(CC)C1 1286749941 ISODKZNLBRJSDV-OAQYLSRUSA-N 435.641 4.773 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 1291928720 CXIOVFTWOMRFIU-QGZVFWFLSA-N 447.919 4.815 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccccc1Cl 1300392464 XOUOMHPBRLPIOY-UHFFFAOYSA-N 430.339 4.576 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C[C@@H](C)CC 1300411532 SSXMXAHCDBOPQJ-IBGZPJMESA-N 431.625 4.678 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(c2nccs2)CC1 1300413270 RMSKDWHVBVHGJM-UHFFFAOYSA-N 425.989 4.776 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1300776490 LDLHVWQHTTWLLH-ROUUACIJSA-N 433.046 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCc1csc(C)n1 1300790174 KXBSSKTVYUBJBO-JOCHJYFZSA-N 441.988 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1300876598 UMRCNTFQNAMMFL-PMVMPFDFSA-N 442.579 4.707 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[C@H]2CCOC2)CC1 1301113822 HJRDNMMPSOMRKE-FQEVSTJZSA-N 440.588 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCN(C2CC2)C1 1301379460 LSJFLQJXHMBVLY-MRXNPFEDSA-N 432.399 4.915 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1301541843 FBLMIOBCEPXZTF-RTWAWAEBSA-N 444.023 4.500 30 10 IJEE C#C[C@@H](NC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C)C(C)C 1306834690 ZXWAOHADKZRREB-MRXNPFEDSA-N 439.606 4.590 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1350122394 ACNNBFGGFYRCCJ-QVKFZJNVSA-N 437.378 4.972 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2)nc1 1356209252 CJNLAPCQMMHCMD-UHFFFAOYSA-N 425.901 4.708 30 10 IJEE C=CCN(C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 1357806524 VAWDMQIKISVJJS-UHFFFAOYSA-N 434.561 4.800 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1358913839 ZRDWAQXTMNLPHD-NRFANRHFSA-N 437.632 4.562 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(N2CCCCC2)CC1 1358916433 LFLAUYZNSDJIAC-UHFFFAOYSA-N 449.643 4.732 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1358924459 XBPYQMYRHXQBIF-HSZRJFAPSA-N 430.980 4.662 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC[C@@H](C)C1 1358981196 AMSYEVVFWQRFSS-TZIWHRDSSA-N 439.003 4.761 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)C(F)(F)F 1358986724 FSEIGJKBQIPSAO-UHFFFAOYSA-N 439.485 4.853 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)ccc1F 1359003579 PXQLXMPZYBFEHX-HNNXBMFYSA-N 426.536 4.917 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1359061982 SEOQRHXMJCWYSC-NRFANRHFSA-N 446.045 4.720 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCC1CCOCC1 1359073487 RLXDAZFCVKLHAW-AREMUKBSSA-N 436.600 4.673 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@@H](C#N)C1 1359185651 DSAIZLMHWIMRCF-QFIPXVFZSA-N 437.588 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359191792 LYUGFFIWZFZADR-LEWJYISDSA-N 425.621 4.687 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1359200263 YOQHVILAHLMBEO-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCC[C@@H]21)C(C)C 1359266065 RSOMBQINDWXBSA-PZUNEJSGSA-N 444.627 4.894 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC=CCC1 1359279184 WOTAWUBNFNDIOO-QGZVFWFLSA-N 431.378 4.703 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)cc2C)C1 1359325866 OGXNLAWJEWOVFV-DNVJHFABSA-N 438.616 4.643 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1ccco1 1359343298 QAJKYNRBOQJWMA-OXQOHEQNSA-N 426.542 4.500 30 10 IJEE CC(C)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC#N)c1cccnc1 1359664357 DIMXTROLEIFJTP-CVDCTZTESA-N 441.583 4.923 30 10 IJEE N#Cc1ccc(NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1C(F)(F)F 1361170295 GACDNKXRIJXLLH-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)nc2)c1 1435496125 AIMCMYVIQSEZHA-UHFFFAOYSA-N 441.940 4.677 30 10 IJEE C#C[C@H](NC(=O)C1(C)CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 1436650334 ANSHFFJGPOCAHK-NRFANRHFSA-N 425.370 4.542 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(Cc2ccc(OC)cc2)CC(F)(F)F)cc1OC 1437529894 FAMGPNXPRQUPNE-WQLSENKSSA-N 435.442 4.873 30 10 IJEE N[C@@](C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)(c1cccc(F)c1)C(F)(F)F 1457809063 HOSZAKHHKZELNS-AUUYWEPGSA-N 448.382 4.967 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC(NC(C)C)CC3)c2C#N)C1 1459752254 FAVOPUOVQQCLQZ-KRWDZBQOSA-N 430.662 4.562 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1-c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1460777690 ILZLLLGPMAOFLG-UHFFFAOYSA-N 447.579 4.627 30 10 IJEE C=CC[C@@H]1CCCN(S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 1464035694 UAZKVMKZEWWWGP-CYBMUJFWSA-N 427.389 4.549 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C 1465997854 FHETYIRBTYVPJZ-IBGZPJMESA-N 446.979 4.648 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)Oc1ccccc1OC 1466816260 CNSOXPVIIHHNHM-AWEZNQCLSA-N 435.318 4.612 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1)C1CCOCC1 1467394428 FRUILCSBRXULBR-FQEVSTJZSA-N 449.389 4.958 30 10 IJEE C#CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881644 AZNHTVGHSHGLND-UHFFFAOYSA-N 432.564 4.757 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)cc1 1475974513 YIQUZCJXGTVOMO-GGAORHGYSA-N 441.597 4.574 30 10 IJEE CCC[C@@H]1CCc2nc(NC(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)sc2C1 1476490327 DVNQZUNXYLOIQW-FAEJEUNOSA-N 439.585 4.826 30 10 IJEE C#CC[C@@H](NC(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n12)c1ccccc1 1476656440 ISGLNDBMRWVTLW-LJQANCHMSA-N 444.926 4.948 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)c1ncc(C)s1 1507520864 HJZQRBIULRMPCT-UONOGXRCSA-N 431.512 4.573 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1507565745 GDJUGHKWDTXGCA-UHFFFAOYSA-N 448.615 4.605 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)N1CCCCC1 1507680699 HOPXUMSXDOCCRH-NRFANRHFSA-N 437.975 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCCCc1ccccc1 1507796533 BCFAZTYXJBKZSL-ZEQRLZLVSA-N 431.584 4.780 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1coc(-c2ccc(C)cc2)n1 1507815270 HNRVSBUIBGFUIM-UHFFFAOYSA-N 428.540 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(Br)c1 1507816926 LYXROWMEYLFODN-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2[C@@H]1C 1507856988 GXFFVMKXIYTUIX-AWEZNQCLSA-N 446.780 4.922 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCOC(F)F)CC1 1507887674 DZIUOQKWFXQZDJ-UHFFFAOYSA-N 447.313 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CO)CC1 1507920701 XWWZHLVDEMBSAZ-UHFFFAOYSA-N 440.632 4.966 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)nc1 1508007468 CKEOMXJXZYQUCJ-QGZVFWFLSA-N 429.977 4.523 30 10 IJEE Cc1nc(NC(=O)COc2ccc(C#N)c(Br)c2)sc1-c1ccccc1 1514680650 DYEMPKCYNIOHKP-UHFFFAOYSA-N 428.311 4.770 30 10 IJEE COCCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1518979347 BJRWZIFACHEPBU-XMMPIXPASA-N 437.588 4.681 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)Cc2cccc(Br)c2)cc1OC 1519657560 GLRIKZGXIUWIPL-SLWQEBJJSA-N 430.342 4.783 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)c1 1519854578 FIBDLQJBYTZIAB-UHFFFAOYSA-N 439.096 4.561 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(Br)c3c(c2)OCO3)C(F)(F)F)cc1 1521336851 KHKHXWVLOUCMFO-INIZCTEOSA-N 427.172 4.620 30 10 IJEE N#Cc1cc(NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)ccc1OC(F)(F)F 1524180154 BAZAPLOEXRVNQK-SFHVURJKSA-N 447.413 4.587 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2cn(-c3ccccc3)nn2)c1 1525237648 AJMYXOCEAMMWQC-UHFFFAOYSA-N 429.867 4.515 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cnn(C(C)(C)C)c2Br)C(F)(F)F)cc1 1525703613 AKCRKWRFDKCROQ-AWEZNQCLSA-N 429.236 4.842 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)C(F)(F)F)cc1 1525856601 TVHZNANDKPYOGY-KRWDZBQOSA-N 435.352 4.986 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2cccc(COc3ccccc3)c2)cc1Br 1526354695 DVXNPYZZINQZFT-UHFFFAOYSA-N 437.293 4.917 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1527456557 XMSFXJMYSCIQKQ-QFIPXVFZSA-N 433.379 4.624 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(C(F)(F)F)cc1 1534432792 DKQAUVZXWJKYMK-FCHUYYIVSA-N 432.486 4.730 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)c1ccccc1 1537266775 QHINRFRZBXZUFL-HNNXBMFYSA-N 436.249 4.888 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1538677207 NNIPDMBOOIDXPM-NJNPRVFISA-N 449.389 4.767 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539049349 MAWDJKACDWVRKO-IBGZPJMESA-N 443.979 4.505 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(F)(F)F)C1 1539109820 VRIWYZXCWBPVEY-AWEZNQCLSA-N 441.295 4.900 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1539162220 URGZNJHYOJAASF-FYYLOGMGSA-N 433.625 4.722 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1csc([C@@H](C)OC)n1 1539385397 ZHKYKPFNCOZWCG-MRXNPFEDSA-N 441.576 4.567 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCN1CCCC[C@H]1CC 1539391414 COJDWNSTNPGAPS-HSZRJFAPSA-N 439.623 4.910 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1539520228 QHUDMHURNGJJHV-IBGZPJMESA-N 442.629 4.592 30 10 IJEE C=C(Br)Cn1c(N2CCC(n3ncc4ccccc43)CC2)nnc1C(C)(C)C 1539608916 HHQLDVFSKRNLLN-UHFFFAOYSA-N 443.393 4.675 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1539758258 FGTICHGLYFKKEW-SZPZYZBQSA-N 438.616 4.840 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cc3ccccc3o2)CC1 1539870934 DJPWDAPNLCRMBB-UHFFFAOYSA-N 435.572 4.588 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1539872084 YMQDYIDTCKELSE-QPPBQGQZSA-N 437.632 4.576 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](OC)C1 1540014568 QVNCKZUWPAYFCO-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCCc1nccs1 1540147232 OFUNZTZJPXGANG-KRWDZBQOSA-N 429.615 4.516 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1C 1540191248 IIIHAIVNICSTIF-FUHWJXTLSA-N 433.394 4.783 30 10 IJEE CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCc2sccc2C1)N(C)C 1541413168 DHAJWPJWDQEQDP-QFIPXVFZSA-N 448.640 4.807 30 10 IJEE C#CCC1(C(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)CCCCC1 1543976711 YVWYXSLUDHTJOK-SFHVURJKSA-N 435.349 4.656 30 10 IJEE CN(C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1)c1ccc(C#N)c(Cl)c1 1543991460 DWLLQMIPLCORED-UHFFFAOYSA-N 431.858 4.875 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CC#N)N(C)C 1545807114 AZEZPNPMMTZENF-WZONZLPQSA-N 433.604 4.598 30 10 IJEE CCN(CC)c1ccc(-c2nnc(SCC(=O)[C@@H](C#N)c3ccccc3)n2CC)cc1 1559318691 BDMQCHRZWDUJPI-NRFANRHFSA-N 433.581 4.780 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)OCC)CC1CC1 1559658898 UUKVWJRYOPZMCT-UHFFFAOYSA-N 430.957 4.529 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(OC)c(OC)c(OC)c2)cc1OC 1560278399 VYGUIKVPMSUNAN-UHFFFAOYSA-N 438.318 4.660 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCC(C)(C)c2ccc(Br)cc2)cc1 1560584713 SWQGIIHADDGPFR-UHFFFAOYSA-N 437.403 4.645 30 10 IJEE CN(CC(C)(C)C#N)S(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 1561595695 HSVXCOCWHCWHSB-UHFFFAOYSA-N 441.322 4.551 30 10 IJEE C=CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1)[C@H](C)COC 1563961835 BHDSEAQPRWBVRK-NQIIRXRSSA-N 433.593 4.608 30 10 IJEE C=CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1)[C@H](C)COC 1563961837 BHDSEAQPRWBVRK-WIYYLYMNSA-N 433.593 4.608 30 10 IJEE C=CCc1cc(CNC(=O)c2cnn(-c3ccccc3C)c2C(C)C)cc(OC)c1OC 1583797686 AIBJHRUUKKIMAZ-UHFFFAOYSA-N 433.552 4.980 30 10 IJEE C#CCCN1CCN(C(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)CC1 1584028015 JLBNTIXNDCYDKJ-OAQYLSRUSA-N 433.404 4.994 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1587719328 ZQIUWTXSDRMUQM-UXHICEINSA-N 439.673 4.998 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1587777801 RNWXXJWLONWBHK-OAQYLSRUSA-N 441.000 4.965 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1587817718 DTQGKYRNRVFFBM-MOPGFXCFSA-N 444.526 4.603 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C(C)C)CC2)c1 1588012617 FATPVRQZDAFPHK-UHFFFAOYSA-N 432.973 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CCSCC 1589514157 DJBYMJYZDTZAQO-COPCDDAFSA-N 439.629 4.766 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1593654620 DWZDFWAKPLWQBM-UHFFFAOYSA-N 435.641 4.855 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1594065147 ZPMVXIRSJBYKIJ-QGZVFWFLSA-N 439.947 4.626 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1594504068 GGTSYUXVADZECA-HXUWFJFHSA-N 436.579 4.728 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccsc2)CC1 1594591255 PINFKGKSRDZASW-UHFFFAOYSA-N 443.020 4.734 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)c1nccs1 1594997734 LZTYHZZRPNQAOU-CQSZACIVSA-N 448.390 4.502 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1 1595076045 RPTXPCYYNAHCOU-NHCUHLMSSA-N 447.583 4.747 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(Br)cn2C)n1[C@@H]1C[C@H]1C 1595149690 SZCPERYUVWJYMY-CZUORRHYSA-N 432.391 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)CC 1595156246 JNYDZNBDEHYPHQ-DEOSSOPVSA-N 448.596 4.546 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCn1c(C)nc2ccccc21 1595190494 CPWMIUBZPBSJRC-UHFFFAOYSA-N 433.947 4.530 30 10 IJEE CCC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC#N)CC1)OC 1614410948 CKKOBRCTSZCMLQ-FQEVSTJZSA-N 427.618 4.824 30 10 IJEE C=CCN(CCc1ccccc1)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1615366738 LTCRSYWZNUIPGO-LJQANCHMSA-N 438.527 4.520 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 1621450487 VULRYSMUNSKHQF-UHFFFAOYSA-N 443.975 4.605 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1 1622835811 DFKBUVBYUDEHCE-UHFFFAOYSA-N 432.427 4.826 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)cc1 1622964439 COFLFRRLYZUPOJ-JOCHJYFZSA-N 446.595 4.860 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC[C@H](c4ccc(Cl)cc4)C3)ccc2c1=O 1626505117 IKCIQPHGPSLGEP-YJBOKZPZSA-N 439.968 4.591 30 10 IJEE CSc1ccc(CCCC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 1635679626 HQCGNZDLHNHEEN-JOCHJYFZSA-N 428.001 4.794 30 10 IJEE C#C[C@H](NC(=O)N1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C)c1ccc(F)cc1 1636548223 NLLBTGQIAVDBOC-UIOOFZCWSA-N 435.587 4.875 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 1637056665 ASUIWIGKAUDXQD-AEFFLSMTSA-N 425.356 4.867 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Br)c3ncccc23)CN(C(=O)OC(C)(C)C)C1 1641592551 GIRPNMPQIHMQOK-UHFFFAOYSA-N 446.345 4.749 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2cc(Cl)ccc2c1=O 1643356551 BFZREDYIYFWRCW-UHFFFAOYSA-N 434.348 4.929 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1648622150 LINABKFKKYIMLM-UHFFFAOYSA-N 439.364 4.917 30 10 IJEE C#CCn1ccc(CN(CCOC)Cc2ccccc2Oc2ccc(F)cc2Cl)n1 1652352495 LZFBZDOJBDBHNW-UHFFFAOYSA-N 427.907 4.750 30 10 IJEE C=CCn1c(SC[C@H]2CCC[C@@H](C(F)(F)F)O2)nc2sc3c(c2c1=O)CCC3 1652447862 UVDWZEWHONVJPB-RISCZKNCSA-N 430.517 4.725 30 10 IJEE N#Cc1ccc(N2CCN(Cc3ccc(OCc4ccccc4F)nc3)CC2)c(Cl)c1 1653448431 FKZGIQBDDYPAAX-UHFFFAOYSA-N 436.918 4.647 30 10 IJEE C=CCOc1ccc(CNc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)cc1Cl 1656226498 RGNJCSHNAFNZJB-UHFFFAOYSA-N 438.977 4.602 30 10 IJEE COc1ccc2ncc(C#N)c(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)c2c1 1656691246 BETWUWHDSYJJIH-OAHLLOKOSA-N 432.505 4.527 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc1 1659291257 NSAUOROCGUFENY-UHFFFAOYSA-N 437.540 4.866 30 10 IJEE CCOc1ccc([C@@H](NS(=O)(=O)c2ccc(CC#N)cc2)c2cccc(Cl)c2)cc1 1662368086 GHTAOEBVTARKEA-HSZRJFAPSA-N 440.952 4.873 30 10 IJEE N#Cc1cccc(CN2CCC(NCc3ccc(OC(F)F)cc3OC(F)F)CC2)c1 1662775089 IDDFFMOFVUYBJN-UHFFFAOYSA-N 437.437 4.515 30 10 IJEE C#CCN(CC)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1665561569 UTONELPCXLWUFS-LJQANCHMSA-N 436.408 4.819 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1666799612 PTYVMTFCAVQEJP-VXKWHMMOSA-N 448.629 4.748 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)n1 1670182456 FXHUBOAXILQJKS-AWEZNQCLSA-N 448.697 4.959 30 10 IJEE Cc1ccc(Cc2sc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)nc2C)cc1 1671224389 DZWQSQLSEIIAOD-UHFFFAOYSA-N 431.565 4.577 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1CC1(O)CCCCC1)c1ccc(Br)cc1 1674030290 CLGUXZSLECLJFL-PMACEKPBSA-N 433.390 4.773 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCc2ncn(-c3ccccc3)n2)cc1 1677631596 FILCZBAWMYNTMV-UHFFFAOYSA-N 426.505 4.612 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)c1ccccc1 1678468952 GDRHAJGWZOYWAW-IRXDYDNUSA-N 429.483 4.839 30 10 IJEE C#Cc1ccc(NC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c(Cl)c1 1680873330 SKUUFGCGLPZYPE-UHFFFAOYSA-N 427.932 4.710 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1ccccc1 1682356849 OGGZPDJFNRSIOV-MOPGFXCFSA-N 425.326 4.869 30 10 IJEE C#CCN(C(=O)N[C@@H](COC)c1cccc(Br)c1)[C@H]1CCCc2ccccc21 1683576496 UGZDPUKHLCXGCI-VXKWHMMOSA-N 441.369 4.859 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccccc2Oc2cccc(Cl)c2)C1 1684082384 AMRZGVJKGOCUGG-UYAOXDASSA-N 425.960 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1689833847 RHGZSWVPAUHRJO-LEDOBFOHSA-N 446.599 4.634 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OCC)cc1 1689837915 PJNIWIGKAKIRPE-AWEZNQCLSA-N 445.386 4.674 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1689938321 HZFZHIICYGVZDJ-QFBILLFUSA-N 431.378 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](CC(C)C)C1 1690248925 QVPSQKXZLVJWOG-DPLHUUCSSA-N 426.580 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCCCCCC1 1690252789 IWIRDCXXRZOKMN-RDPSFJRHSA-N 440.588 4.617 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cnn(C)c1C 1690257685 QCTBNYVOMMMMBN-UHFFFAOYSA-N 443.599 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)CN1CCCC1 1690258699 QGALAMCYEUWWFF-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1690406457 GTQRZKQZFOVZTC-UYAOXDASSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1690415372 JISZYNVKGYUTMI-GHTZIAJQSA-N 430.980 4.728 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1690456317 CWOQELAXPSBIEG-UHFFFAOYSA-N 443.567 4.934 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1CC 1690480663 MQPDNNFJZNEOSH-GHTZIAJQSA-N 434.588 4.827 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1 1690496754 XILPMAGYGOTOPV-MOPGFXCFSA-N 441.576 4.903 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1690500319 RCYNOHBEPFIRQR-LPHOPBHVSA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1690516031 ZOYYBURONXUFMK-OAHLLOKOSA-N 429.565 4.982 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCSC1 1690555831 FSKKYVOQWNBQMI-SFTDATJTSA-N 442.629 4.517 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1690555874 GKZRJPQRIAZDEV-CPJSRVTESA-N 425.621 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1(C)CCCC1 1690555972 JNCBVAWIPUGCIW-UHFFFAOYSA-N 448.615 4.921 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1691160431 ATODASSEFVSHET-CPJSRVTESA-N 438.620 4.817 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](C)CN2CCCCC2)c2ccccc2n1 1692986376 HNVHRYFFMVPSOB-VQTJNVASSA-N 445.615 4.520 30 10 IJEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1696762629 AQDCQLZOTMYOIM-QPIRBTGLSA-N 447.505 4.658 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)c1nc(C)cs1 1705480219 PQYOKLYFYDFYFY-UKRRQHHQSA-N 431.512 4.573 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC1CCC1 1705522059 UEGDHYSWINWHID-FQEVSTJZSA-N 429.609 4.780 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)C1 1705653330 FIDSCOJMWGJCJH-HJOIGYKYSA-N 436.984 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CCCS1 1705711573 PFLAKWKFWORMIL-LJQANCHMSA-N 438.439 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CCCCC1)N(C)C 1705711841 GNNLWXLRAATGNF-FQEVSTJZSA-N 431.028 4.906 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1705730851 OMJBLTLDRZNGTK-QHCPKHFHSA-N 449.599 4.646 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2CCN(CC)CCC(F)(F)F)CC1 1705767020 XNUQWQUNDSCCBZ-UHFFFAOYSA-N 425.474 4.515 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCCNC(=O)C(C)C)CC1 1705772674 YIQBSZIWGOHKLW-UHFFFAOYSA-N 448.036 4.543 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)c2cccc(C)c2)CC1 1705776468 HEOUPNDTZQYUCM-RLWLMLJZSA-N 438.616 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCCCNC(=O)OC(C)(C)C)CC1 1705777655 JNJFDKVQQDMBEU-UHFFFAOYSA-N 429.565 4.554 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCC(C)(C)C1 1705818317 GEYDWMGXWQNIKU-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705821431 WSNNWGHVGRVXPN-UNMCSNQZSA-N 427.662 4.987 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC[C@H](C)C1 1705834642 PDUVUFNFWLPBEY-VCOUNFBDSA-N 425.621 4.778 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccccc1F)C1CC1 1705856252 MEVQYSNLLXFQCQ-LRXVAGHRSA-N 442.579 4.958 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@H]1CCSC1(C)C 1705880660 MBIHLSZXZNVJQI-GOSISDBHSA-N 425.602 4.643 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCCO[C@H](C)C1 1705942566 XBFBBMNUWGBFSV-IAGOWNOFSA-N 432.659 4.666 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](OCC(C)C)C1 1705943203 QUBHDXQDYAMSCK-LJQANCHMSA-N 439.629 4.607 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCCCCC[C@H]21 1705947740 WCIOHLSFQUCORU-NHCUHLMSSA-N 426.630 4.956 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)c1cccs1 1706288404 AZUAIUCNTLYMSY-XMMPIXPASA-N 433.581 4.536 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1c(CC)noc1C 1722301539 CAYFABODILEFGN-CQSZACIVSA-N 429.977 4.589 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1722311591 YFGNEJQHQUULAN-JOCHJYFZSA-N 443.389 4.518 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722520919 RXISJZJAJWXSDG-OAQYLSRUSA-N 447.631 4.944 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1722599964 IDRXNCHAJBHJDJ-XMMPIXPASA-N 437.975 4.534 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCc2ccccc21 1722606634 RSSNRGNDCOBPCI-FQEVSTJZSA-N 435.597 4.750 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@@H]1CSc2ccccc21 1722663120 RYBVSHRXTYUDSD-QGZVFWFLSA-N 426.611 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2cccnc2)C1 1722716983 BESMSCCGDMSJDQ-GOSISDBHSA-N 444.366 4.671 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCCC2)C1 1723351856 GBWAOHCKBCMXON-LADGPHEKSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740553830 YTYLUDLWYCEMKT-FBBABVLZSA-N 426.580 4.696 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCO)Cc1ccccc1 1740582015 JFHPQMCLTKSBMT-LJQANCHMSA-N 434.609 4.544 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1csc(C(C)(C)C)n1 1740613481 JDTLQTWLCNNHNY-UHFFFAOYSA-N 444.004 4.577 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)COCC 1740663746 RVKXJRXXLZBNPT-UHFFFAOYSA-N 437.613 4.899 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(C)s1 1740793921 XDECMULSGWNWDK-UHFFFAOYSA-N 432.540 4.746 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C(C)C)N2CCCC2)CC1 1740825539 WZGZLILMEMLLEE-RBBKRZOGSA-N 441.595 4.834 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCSC[C@H]1C)c1ccccc1 1740854406 GMLPGSYBQLRLSF-XLIONFOSSA-N 439.654 4.935 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1740871441 DBYZIJUIJRMXEJ-QFIPXVFZSA-N 428.577 4.568 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)(C)CC1 1740995389 JUPBCHZFMGSUSK-UHFFFAOYSA-N 427.618 4.693 30 10 IJEE CCOc1cc(CCCn2c(C(C)C)nnc2N2CCC[C@](C)(C#N)C2)ccc1OC 1746763903 HBTGDAKCISODJA-XMMPIXPASA-N 425.577 4.572 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccc(OC(F)F)c1 1748764133 ILAOPZQPRDXNOA-WOJBJXKFSA-N 446.542 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@](C)(O)C(C)C 1749147673 NJVFNVPPYCJNCV-FQEVSTJZSA-N 439.373 4.656 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1749384576 DGTOZYRNDDJOEZ-ZEQRLZLVSA-N 437.632 4.800 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1Cc1cnccc1OC 1749553006 DALPYJGDBQLGBK-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)c1ccccc1 1749554386 SAEVOGXEFZLXFD-IFMALSPDSA-N 438.597 4.814 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC(F)(F)C1 1749561829 YCFZMVYNPDRIFZ-CYBMUJFWSA-N 426.309 4.650 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1752014912 DRMZMGAUZYDVNY-STSQHVNTSA-N 427.980 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1760102651 NYIWMNBKEDBDJQ-QAETUUGQSA-N 443.389 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCO[C@H]1C(C)C 1760104515 ZZZYYLBLYGISCD-AYMMHLMVSA-N 426.630 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nc(C(C)(C)C)cs1 1760111752 SFXWVHDBQJNAIT-MRXNPFEDSA-N 446.580 4.860 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCCOC1 1760131722 YOBRLPNTNIKTGS-MOPGFXCFSA-N 430.980 4.738 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1760157890 GOQSKBBFTGXBSK-IAGOWNOFSA-N 431.378 4.658 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1760158124 DTQQZOMEHOWBAI-OAQYLSRUSA-N 432.355 4.707 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1Cc1nnc(C(C)(C)C)s1 1760240698 ZHWGCSDIMDMVSS-INIZCTEOSA-N 440.592 4.768 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1760379583 ABDQKRLQMSOBAP-UHFFFAOYSA-N 425.360 4.657 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760414745 BFXTXKIQEQUTIU-UHFFFAOYSA-N 435.616 4.576 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1760437674 LDGRSYFSNVMHFD-KRWDZBQOSA-N 445.493 4.672 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOC[C@H]1C 1760446338 OGGLPYMTESSPPL-QGZVFWFLSA-N 442.560 4.631 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCCC1(F)F 1760505682 DLKLSHGNOKUGFY-GUDVDZBRSA-N 440.579 4.661 30 10 IJEE C=CCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=Nc1cccnc1Cl 1772735927 WDQHPEAIKFDEBV-YRAZYTOTSA-N 426.885 4.989 30 10 IJEE Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3nnc(C)s3)N(C)C2=O)cc1 1772740248 ZEOAPVPIJIEIAP-OCFWRVAFSA-N 436.562 4.968 30 10 IJEE COc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c(OC)cc1Cl 1858203230 WEYLXEVFYDZBAM-UHFFFAOYSA-N 427.913 4.816 30 10 IJEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Sc3nc(-c4ccco4)cs3)cc21 1860812593 HWVPDDQSBFWYTH-CYBMUJFWSA-N 426.519 4.678 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862402119 QVBLYBXOADPVDL-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccccc2)c1 1862413807 LHGLQKFDPHZWJB-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862449287 HYLDPEHYAYTWNA-HXUWFJFHSA-N 441.911 4.751 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)ccc1F 1862503292 UZHUGYIMBAGNDJ-FOIQADDNSA-N 429.875 4.545 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1OC 1862512005 RMZVXEZLFBCAQI-QFIPXVFZSA-N 441.499 4.776 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1862584373 XHAIPTWDWSBLDH-BTDLBPIBSA-N 440.710 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1cccc(O)c1 1862589595 OHIXGBNYYHVPEW-OAQYLSRUSA-N 435.863 4.530 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 1862621434 QICOSKVCFAXAHO-JOCHJYFZSA-N 447.874 4.847 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862657511 ZELSKUHXLNFBPD-HXUWFJFHSA-N 436.851 5.000 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C(=O)O 1862677638 FBCRGLMDYZJZDP-XWRIVVANSA-N 437.467 4.681 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862678862 VYXCGXRNYRPUBX-IBGZPJMESA-N 429.806 4.990 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C(=O)O 1862679132 VVXRRWOUFHHAKR-OYHNWAKOSA-N 445.446 4.863 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2cc(Br)ccc2F)cc1 1862697616 NVDSHDRTZJCSFX-GOSISDBHSA-N 448.288 4.584 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(OC)cc1 1862725976 WFVSRFNZUROYHM-DEOSSOPVSA-N 443.499 4.587 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2cccs2)C1=O 1863804946 LKXLJSKBAHEHDD-UHFFFAOYSA-N 431.646 4.654 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1 1868907241 CCTFUWZTQBOSLW-QHCPKHFHSA-N 447.604 4.887 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3nc[nH]c3[C@H]2C)nc(-c2ccc(OCC)cc2)n1 1869340896 SBOHOCJYOSZKOC-GOSISDBHSA-N 430.556 4.568 30 10 IJEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CSc2ccc(C)cc2)cc1=O 1870300670 POODKRDLXJRTBX-HSZRJFAPSA-N 439.964 4.848 30 10 IJEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1870810289 WCJVUECTYWLHCL-UHFFFAOYSA-N 439.899 4.944 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 1871391201 UNTWPFCWMGEAQW-XKZIYDEJSA-N 429.428 4.623 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872088674 XOGJZGKIGCPJJI-VFNWGFHPSA-N 436.524 4.503 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872110753 OIAYSVHMWCXHQH-IERDGZPVSA-N 445.610 4.850 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 1872612655 GUIHTJXZMQTHEA-XMMPIXPASA-N 444.641 4.833 30 10 IJEE COc1cc(/C=N/Nc2ncnc3[nH]cnc23)ccc1OCc1c(Cl)cccc1Cl 1873792457 GWHHYDLAGNRAHZ-FLUNURKVSA-N 443.294 4.693 30 10 IJEE N#Cc1cccc(NC(=O)C[C@H](CN2Cc3ccccc3C2=O)c2ccc(Cl)cc2)c1 1873867253 SQNUYGHJBDAEEW-HXUWFJFHSA-N 429.907 4.980 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1 1874212914 LUIGSQXFBMYOTR-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1cccs1 1874219104 VCTZXRRVOIQSDJ-LPYMAVHISA-N 428.583 4.692 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)c1 1874233499 MGSMJUDBMQVBLG-PCLIKHOPSA-N 432.549 4.838 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OCCC)n2/N=C/c2ccc[nH]2)CC1 1874287170 QXUXPVRUJQHGGT-BUVRLJJBSA-N 431.606 4.998 30 10 IJEE Cc1ccccc1/C=N/n1c(SCc2ccccc2C)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874335536 RTYPRJBBGXPQTI-RVWJGDDESA-N 447.608 4.794 30 10 IJEE CC(=O)NCc1nnc(SCc2ccccc2C)n1/N=C/c1ccc(C(C)(C)C)cc1 1874432290 XKUJKSXQBIPCGT-VULFUBBASA-N 435.597 4.695 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1sccc1C 1874434454 GCEYNDVBSCRHKW-WYMPLXKRSA-N 435.578 4.612 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2cccs2)cc1 1874487293 JYMYIWRGCJBQBX-LPYMAVHISA-N 427.599 4.714 30 10 IJEE CCCSc1nnc(CCC)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 1874508698 QMWKLVWKSMRWEL-LFVJCYFKSA-N 438.553 4.843 30 10 IJEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1)c1ccccc1 1874622589 KWEZGAXDWFGTJT-FHLIRTJZSA-N 429.472 4.568 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OC(=O)c1cccnc1 1874697669 JYUIQBQNDCPUNT-VQHVLOKHSA-N 438.277 4.968 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(C#N)cc1 1890861404 HATVUGIAWKEALG-VQTJNVASSA-N 447.482 4.609 30 10 IJEE C=CCOCSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892320781 NKRJNRKPFNQKAS-OAQYLSRUSA-N 441.549 4.650 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@@H]21 1912175318 KRGGPNONMSSLIX-XFQAVAEZSA-N 434.541 4.606 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@H](O)c1cc(Br)ccc1OCCC 1922051077 FKOSXFKYUFXZIN-FGZHOGPDSA-N 434.374 4.632 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)C1(NC(=O)OC(C)(C)C)CC(C(F)(F)F)C1 1922107041 IVMWNXZELXGIPU-WBTXTPOCSA-N 428.495 4.583 30 10 IJEE N#Cc1c(NC(=O)c2csc(Br)c2Br)sc2c1CCC2 1963643602 FWLWPOHTCNEIFB-UHFFFAOYSA-N 432.162 4.947 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC[C@H]1CNC(=O)OC(C)(C)C 2006112535 JSXNCOLDTVOGHL-QMHKHESXSA-N 431.533 4.634 30 10 IJEE C=CCC1([C@@H](O)Cc2cc(Br)ccc2Cl)CN(C(=O)OC(C)(C)C)C1 2047987734 NIFGRADPCJRFLK-INIZCTEOSA-N 430.770 4.819 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1(OC)CCCC1 2052484289 QDFNXZRXSKZWID-DHIUTWEWSA-N 446.632 4.980 30 10 IJEE CCCOc1ccc([C@H](C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2080079173 DGGUROXSIMETLN-JTQLQIEISA-N 449.214 4.776 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(Cl)cc1C 2082749178 PRZNAOPBZBDLPA-CQSZACIVSA-N 429.742 4.656 30 10 IJEE CC(C)Cn1cc([C@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)nn1 2149353827 LWYZRBOSOJALSW-KRWDZBQOSA-N 434.338 4.703 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@]1(C(=O)Nc1ccc(C#N)c(Br)c1)CC2 2181097761 GIEWHFKHCFYZOA-YWZLYKJASA-N 434.334 4.581 30 10 IJEE C=CCC1([C@@H](NCC)c2cc(Br)cc(OC)c2)CN(C(=O)OC(C)(C)C)C1 2201020146 MHGHLQGWPIQHEF-SFHVURJKSA-N 439.394 4.922 30 10 IJEE C[C@H](CC1CCN(c2ncc(Br)cc2C#N)CC1)N(C)C(=O)OC(C)(C)C 2203593395 MYOXAQVPXBIOCF-CQSZACIVSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@H]2Oc2cc(Br)cnc2C#N)C1 2233836257 JTHWYGLMDFIISF-UNEWFSDZSA-N 436.350 4.520 30 10 IJEE CC1(C)CCCN(Cc2ccccc2)[C@@H]1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2267097568 PUURHUVSYHMSDN-LZBANZJXSA-N 440.437 4.666 30 10 IJEE CN(Cc1ccc(I)cc1)c1cc(Br)c(C#N)cc1F 2280332817 INCRSJSYDFWLQA-UHFFFAOYSA-N 445.073 4.701 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)C#Cc3ccc(Br)cc3)C[C@@H](C2)C1 2296221902 MWPRBCSZOQEBFL-BCDXTJNWSA-N 432.358 4.653 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296268167 AXLXPQCTOCJVDW-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296296149 KOPMHLMHPKLWIG-QRQLOZEOSA-N 435.406 4.718 30 10 IJEE C=CCN1C(=O)C(=Cc2cccc(OCCCOc3ccccc3OC)c2)SC1=S 2297624690 BZFUULHMNARYLT-UHFFFAOYSA-N 441.574 4.930 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2305315374 BIDQKYHJDSCNIU-JOCHJYFZSA-N 438.515 4.554 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@]2(C)C1 2309555011 DJCMYWBGIYDPIB-URZJWIJPSA-N 448.568 4.853 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317348403 MXLGMFULGBFICE-HSZRJFAPSA-N 430.354 4.505 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317356349 HZZLLUPQMXDBAN-QFQMRYFISA-N 429.370 4.538 30 10 IJEE CCOC(=O)[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O 2321839330 NIQUAOIHZPMWJV-CYBMUJFWSA-N 431.282 4.704 30 10 IJEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1ccccc1OCC 2322192781 QVFXCPQYTIQTSN-UHFFFAOYSA-N 440.569 4.996 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OC)c(OCC(=O)OCC(C)C)c2)cc1C 2323310768 PBYOINCXZHCWCO-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2324965329 BRALRYSRRHNVQX-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325045225 ULYBZCSOPGFUBM-UHFFFAOYSA-N 425.437 4.632 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(F)cccc4F)cc(C)c3C2=O)o1 2325512719 HUPTZXDPMYVSNM-UHFFFAOYSA-N 425.387 4.808 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(C(C)(C)C)cc2)o1 2325630814 LYZLBXXVTJXNHZ-UHFFFAOYSA-N 426.542 4.828 30 10 IJEE Cc1cc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)ccc1[N+](=O)[O-] 2325747610 PFGGCJHQUKFQNT-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE OCCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1cccc(Cl)c1 2326622134 GPJMRZWOQWFLQL-UHFFFAOYSA-N 436.968 4.837 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(F)cc1F 2326935746 JKNGGRQLIRREHI-UHFFFAOYSA-N 446.567 4.672 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1N=Cc1ccc(OC)cc1OC 2327264050 FLUMEKCOPHUTGG-UHFFFAOYSA-N 440.569 4.794 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccc(OC)cc1 2327460003 URWAJYCNIFRIAV-UHFFFAOYSA-N 430.480 4.694 30 10 IJEE COc1cccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(C(C)(C)C)cc3)CCN2)c1 2329668946 DNNXDLCJKMSJLV-GGAORHGYSA-N 435.568 4.517 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c1 2331397651 TYBJFDSCAQGELU-UHFFFAOYSA-N 430.456 4.972 30 10 IJEE Cc1ccccc1COc1ccc(C=Nn2c(SCCCO)nnc2C(C)(C)C)cc1 2331405097 QTNVPZOVEAOAPX-UHFFFAOYSA-N 438.597 4.820 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1cccc(F)c1 2331432130 RYJUXGGNMXVFGR-UHFFFAOYSA-N 439.560 4.791 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1(C)CC1 2339588496 JNEJYFASPGQDJM-GOSISDBHSA-N 444.381 4.798 30 10 IJEE Cc1cc(CN[C@@H](CN(C)Cc2ccccc2)C(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343655949 JISJAKYBIPSYEL-VWLOTQADSA-N 436.449 4.540 30 10 IJEE CCN[C@H](C#Cc1nc(CC)cs1)c1cc(Br)sc1Br 2363979478 VFCDISJNTHLJEW-LLVKDONJSA-N 434.222 4.994 30 10 IJEE Cc1cc(CNCC[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369694637 SRCKYELXSYBOLH-DHLKQENFSA-N 448.460 4.542 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(OC)c5)[C@H](C)C4)[C@@H]3C[C@H]12 34379149 QJALQDMFCVLXKM-YEMUBGRISA-N 438.612 4.520 30 10 IJEE biogenic CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1ccccc1[N+](=O)[O-] 100527845 YAXXFJGEJLUTLT-HAVVHWLPSA-N 440.872 4.562 30 10 IJEE COc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2cccc(F)c2)c1 169929099 IQGIHTUGVYRPHP-DEOSSOPVSA-N 431.463 4.936 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccc(C)c1 169967819 YJIHOBQPOQDVRW-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccs1 169983601 HCACGTFUTQYPDE-QFIPXVFZSA-N 433.485 4.579 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC(C)C)cc1 169990279 LZSKYUGVQNDGFY-NRFANRHFSA-N 443.927 4.600 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 170001939 VXAUWYWFBSECQI-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 170022787 UJCPHAQVFDCELI-LJQANCHMSA-N 441.270 4.877 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 170054493 WRRMHFMVGGYREZ-XMMPIXPASA-N 443.499 4.872 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)cc1 170061834 GAKDMQLVVSEHQJ-QHCPKHFHSA-N 445.446 4.900 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cn(C)c3ccccc23)ccc1F 170084483 VBGDYHKRLOJOKE-HSZRJFAPSA-N 444.462 4.997 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143581 TYTIQRBIOKRYPS-QPPBQGQZSA-N 449.547 4.848 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(O)c(OCC)c1 170149268 KUVCSJZQLRCEBB-QFIPXVFZSA-N 439.508 4.566 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccs2)c1 170156060 VHKLVOCEPNLSGL-JOCHJYFZSA-N 447.512 4.919 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCO2 170167086 AQLZATJBWNIJOE-JOCHJYFZSA-N 449.503 4.991 30 10 IJEE CCCCOC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)cc1 170181248 NTASQMGNKJCUGA-UHFFFAOYSA-N 447.560 4.792 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2)c1 170234523 CEXKESHJAJOUTI-QFIPXVFZSA-N 439.471 4.745 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@H]1c1ccc(Cl)cc1 170234844 JVHKQJPDIWFFAG-OAQYLSRUSA-N 443.927 4.600 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1cn(C)c2ccccc12 170269203 LSVSCFHXKOTSPO-HSZRJFAPSA-N 448.519 4.574 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccco1 170288870 ZJWZTZVCPDUMEJ-HXUWFJFHSA-N 439.851 4.739 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)o2)c1 170297830 MRTRQFCMYBLSBI-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccccc2F)cc1Cl 170381183 NIIQUNAOLGAOMG-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1cccs1 170423791 HLUHQLUBAWBSOF-FQEVSTJZSA-N 439.920 4.928 30 10 IJEE Oc1nc2cc3c(cc2cc1C=NNc1ncnc2scc(-c4ccccc4)c12)OCO3 254819779 WFHJZPLSFJUVRU-UHFFFAOYSA-N 441.472 4.787 30 10 IJEE C=CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1 255933265 ICHBROSFWXUOMW-UHFFFAOYSA-N 436.581 4.635 30 10 IJEE CC[C@H]1NC(=Nc2ccc(Br)c(I)c2)S[C@H]1C 395411518 DEJNFBCOAIVTMR-WRWORJQWSA-N 425.133 4.545 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(F)c1Br)NCCC 407888321 QWEIRBCYDVJYFD-SJORKVTESA-N 429.374 4.968 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 433858392 NWDOUCAWCTZQKL-KRWDZBQOSA-N 440.548 4.720 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 437462833 XFLXHRNEBWDRLL-JXFKEZNVSA-N 448.523 4.924 30 10 IJEE CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1ccc(C#N)cc1 482076953 MMYWVAAEWYZSRY-UHFFFAOYSA-N 435.471 4.545 30 10 IJEE COc1ccc([C@H](N[C@H](C)c2ccc(C#N)cc2F)c2cccc(S(C)(=O)=O)c2)cc1 512642369 PAABOIPJZQXEPQ-GYCJOSAFSA-N 438.524 4.550 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCN(c3cccnn3)CC2)cc1Cl 524608991 BSWGOBOMNZQYMK-NRFANRHFSA-N 446.942 4.530 30 10 IJEE CCCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)cc1OC 549550126 DHXMPZDRIPRKBZ-UHFFFAOYSA-N 445.567 4.921 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 555419744 XKMQDNBYRSOBKB-UHFFFAOYSA-N 425.489 4.825 30 10 IJEE Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 562345203 VGODFJBZBNEKQE-UHFFFAOYSA-N 439.924 4.502 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 569133643 JNTURPWPEUXGTL-QHCPKHFHSA-N 436.531 4.501 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Br)c(C)c1 574202383 KCRGDBLVGVGFJO-HXUWFJFHSA-N 438.373 4.862 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)c1 586002281 PBAUDMWOFBKJEY-QHCPKHFHSA-N 449.595 4.632 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 589322152 OMTDRIXGSHYMQB-CAOCKLPOSA-N 432.564 4.683 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 589728042 UGEKOPCPBPUHAN-NRFANRHFSA-N 425.916 4.885 30 10 IJEE C=CCOc1c(Br)cc([C@H]2NC3(CC3)C(=O)N2c2ccccc2)cc1OCC 639423048 JQDFMJKKLIFSRC-FQEVSTJZSA-N 443.341 4.580 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(C3CCC3)C2=O)cc1 730460451 ZRAFBUVLUXVVRJ-OAQYLSRUSA-N 435.549 4.710 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1oc(COc2ccc(C=O)cc2)cc1C 731620354 QDGCKMXNCYFFDD-UHFFFAOYSA-N 434.448 4.716 30 10 IJEE COc1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)cc1C#N 746867167 AXXXEYXPGWZGEN-UHFFFAOYSA-N 443.334 4.535 30 10 IJEE N#Cc1cccc(CC(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c1 750431563 XNHOHFUDQRCFEW-UHFFFAOYSA-N 432.090 4.896 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 904556750 QZLYPMXCFTXBDR-ZDUSSCGKSA-N 442.944 4.682 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)c1 1125778859 XFQGWUXBQPBJMS-UHFFFAOYSA-N 448.327 4.818 30 10 IJEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 1125940672 ANICZXCTVMRAFW-UHFFFAOYSA-N 432.955 4.841 30 10 IJEE C=CC[C@@H]1N(C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)CCCC1(C)C 1128468783 KQMAFRUIVNHTCS-KRWDZBQOSA-N 427.595 4.780 30 10 IJEE Cc1ccc(Cl)c2sc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nc12 1128748015 DZRARIXJDVOMGH-LBPRGKRZSA-N 445.331 4.775 30 10 IJEE C#C[C@@H](NC(=O)CCc1cc(Br)c(Br)s1)c1ccccc1 1130119530 UPDDSHUWJYZRIL-CQSZACIVSA-N 427.161 4.696 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(F)ccc2N(C)C)nnc1-c1ccc(Cl)cc1 1133179597 AJIALCJYUMLJPZ-UHFFFAOYSA-N 445.951 4.720 30 10 IJEE CC(C)c1ccc(-n2cc(O)c(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)n2)cc1 1137803904 DVYSBKWPUYEPOD-UHFFFAOYSA-N 446.898 4.664 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(-c2ccc(Br)s2)s1)C(=O)OCC 1158288860 PUHCJRYUYBVBBV-LLVKDONJSA-N 428.373 4.867 30 10 IJEE N#Cc1c(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)nc2c(c1C#N)CCCCCC2 1163298283 BKRCUSXIBZXKIE-HXUWFJFHSA-N 430.430 4.528 30 10 IJEE C#CCN(C(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)[C@@H]1CCCc2ccccc21 1178953136 AHQSFJILBBQPFM-OXJNMPFZSA-N 439.581 4.882 30 10 IJEE N#Cc1ccccc1N1CCCN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CC1 1209203496 CXGMFCPKXOJBKO-UHFFFAOYSA-N 449.601 4.610 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 1224522143 KBAYBYNMLAROKH-OALUTQOASA-N 431.458 4.817 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)c1ccc(Br)cc1 1275473522 AKMIGWNUWBFWPA-OAQYLSRUSA-N 439.353 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1 1286527196 DMHBWXDZZYRCGZ-SIKLNZKXSA-N 431.005 4.788 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(C)C)C1 1286539636 BMSPJOQMRNLOKY-AWEZNQCLSA-N 425.321 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N(C)C)CCCCC1 1286569238 JIEZBGVQNUUJHJ-UHFFFAOYSA-N 441.620 4.629 30 10 IJEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1286631209 CUOBNMHWNCDHAQ-QGZVFWFLSA-N 427.763 4.868 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2csc(COC)n2)CC1 1286656266 UYVRQHAYGYCQQK-UHFFFAOYSA-N 429.977 4.652 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](CC(C)C)C1 1286686063 BBOLLDRBKXSLHQ-OAQYLSRUSA-N 437.636 4.681 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(OCC2CC2)c1 1286720400 XEWWPBZHVYBHMB-UHFFFAOYSA-N 427.911 4.592 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1286739907 TYFRBBHPRQIPCT-UHFFFAOYSA-N 447.436 4.613 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@H]1COCCO1 1286753741 HOQOFWRJUGHBNS-INIZCTEOSA-N 444.988 4.797 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCSC1 1286765678 IDKDVHAZGDKTBC-QGZVFWFLSA-N 444.551 4.728 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCC1 1286833256 YFPWGFRLCOFYBG-LJQANCHMSA-N 449.665 4.548 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCO[C@H](C)C1)C(C)C 1287710751 ASQIEZKAJKUNCL-RTWAWAEBSA-N 439.604 4.805 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1291085709 FLPDHNPONOGRDI-MKXGPGLRSA-N 430.597 4.525 30 10 IJEE C=CC1(CC(=O)NC[C@H](c2ccc(CC)cc2)N(CC)CC)CN(C(=O)OC(C)(C)C)C1 1298681845 MFHRMKJJAFOUOU-JOCHJYFZSA-N 443.632 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1300330437 YYHWSGOGXBFOIE-IDYNPRKMSA-N 436.600 4.587 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](OCC=C)C1 1300342226 RIOZNSTZTXMWPF-OAQYLSRUSA-N 447.608 4.962 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CCCC1 1300652873 DPRJGFCHTDNKHG-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(CC)CCC 1300789562 PVFYWGKGGNVQHF-KBMIEXCESA-N 439.673 4.855 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2sccc2C1 1300971949 HVSMCMBDIHOWEM-KRWDZBQOSA-N 442.560 4.774 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C)[C@@H]1C 1301152443 YYPIPKFXIVOVTN-ZWOKBUDYSA-N 428.602 4.723 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](Cc2ccccc2)C1 1301162830 CQZIEJKBTXUZSI-VABKMULXSA-N 438.616 4.673 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1301208331 SDCWNHPGPGSPAD-JOCHJYFZSA-N 426.605 4.839 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCN1CCCC 1301282811 LBMHOGZRIRBMSK-GOSISDBHSA-N 446.437 4.984 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1301609275 GOGJKNZWMMTISY-KRWDZBQOSA-N 449.665 4.594 30 10 IJEE CC(C)(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)CC1 1302297536 GIVBDFJVTINZBT-OAQYLSRUSA-N 437.588 4.560 30 10 IJEE C[C@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1cccc(C#N)c1 1303622184 HKGLPTBWEWQSRI-HRAATJIYSA-N 433.508 4.618 30 10 IJEE C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccsc1)N1CCCCC1 1303663595 DBNGSAITJVNIAQ-IBGZPJMESA-N 434.613 4.779 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC#N)CC1)OC 1305358060 FRFMLAXTMQKMQR-MBSDFSHPSA-N 439.604 4.665 30 10 IJEE COC(=O)c1ccc(COc2ccc(CN(Cc3ccc(C#N)cc3)C3CC3)cc2OC)o1 1308638590 HBIONHRTDYYJFO-UHFFFAOYSA-N 446.503 4.690 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)cc(OC)c1OC 1311748979 VCBUMGQYUVQUTN-DNVJHFABSA-N 436.552 4.637 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1312732173 FFAABWTXURHJBK-VQTJNVASSA-N 436.506 4.630 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2 1352318600 NGMWWMVWABMSQX-ZDUSSCGKSA-N 434.305 4.749 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccsc2C(F)F)c(C(=O)OCC)c1C 1352793046 INFZTDLQWOCKCK-UHFFFAOYSA-N 429.466 4.827 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 1357743483 GVKPKNRQIYVCAC-JWQCQUIFSA-N 448.607 4.970 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1c(C)noc1C 1358871974 MRDCSKUTPNDOEI-WWMYMODYSA-N 435.572 4.901 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(N(C)C)c1 1358877693 JEMPVTJBZCHHNA-ZWKOTPCHSA-N 433.625 4.704 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1c(C)noc1C 1358924192 PAIZWADPTMOJRL-UHFFFAOYSA-N 446.324 4.501 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)c1cccs1 1358975018 ZIACALGEJXHRCF-UHFFFAOYSA-N 425.561 4.605 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC=CO1 1359000110 LZNHGPBEDVFXQO-ICSRJNTNSA-N 428.964 4.841 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C)C1 1359090823 GSAHFCDBWNKWPB-VWNVYAMZSA-N 428.552 4.775 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1359153555 KFFBTMNZMKIRGA-XOBRGWDASA-N 444.004 4.982 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2c(C)noc2C)CC1 1359160505 WSBFUTVVQOCMJM-GOSISDBHSA-N 425.508 4.561 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1359176252 QYMBEYBSWARROF-NRFANRHFSA-N 443.039 4.906 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(F)(F)Br 1359231718 DDYXIPJUAMBSMI-LLVKDONJSA-N 435.700 4.681 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCCC1(C)C 1359255656 FYSSVKXULPSGSB-AREMUKBSSA-N 445.567 4.852 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)C[C@@H]1CC 1359310758 FZYBBBLVXFTWAX-UTKZUKDTSA-N 437.613 4.872 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(c2nc(C)no2)CC1 1359338887 KSQZQRVYEPIRNB-UHFFFAOYSA-N 444.992 4.593 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1359475289 HJUJCVUEKVNXIG-SFHVURJKSA-N 448.546 4.981 30 10 IJEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)CCS1 1360829535 FMKCESVLIHXAMF-LJQANCHMSA-N 439.629 4.887 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1-n1cccn1 1441822485 XMRAMJDONWQLDY-OAHLLOKOSA-N 425.316 4.500 30 10 IJEE O=C(Cc1ccc(F)cc1Br)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 1460121792 BZZLVGFTVBBWOY-MFKMUULPSA-N 436.165 4.863 30 10 IJEE C=CC1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)CC1 1465140891 ZKKCQWUXCXJDPH-VWLOTQADSA-N 432.564 4.974 30 10 IJEE C=CCCSCCNC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 1465743793 UKFGGHPWASTSIG-UHFFFAOYSA-N 426.405 4.927 30 10 IJEE C=CC1(CC(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1466312365 HYPRRPCQIAQUQZ-UHFFFAOYSA-N 436.556 4.577 30 10 IJEE C=C(C)CN1CCC(NC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 1468638893 DCVMCJRVSPXPGK-UHFFFAOYSA-N 429.914 4.730 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)N(C)C 1470582216 NHFQPPWHIMAHOE-WMQCIHAUSA-N 442.431 4.682 30 10 IJEE C#CCN(C(=O)N[C@H](C1CCCCC1)C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1470612673 PNJFIWLZQYCBIR-JOCHJYFZSA-N 431.621 4.780 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1F 1470664884 AOZLCVSEWXKNQO-QVKFZJNVSA-N 434.342 4.895 30 10 IJEE C=CCSc1ccccc1C(=O)N1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1472132586 ZTIKKYFINIDNBQ-SFHVURJKSA-N 446.613 4.595 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C[C@@H](O)COc1cccc2ccccc12 1473150085 CRRFILBEPLNLND-OAQYLSRUSA-N 440.490 4.963 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)C[C@](C)(C(F)(F)F)O1 1476483984 CJUXXLHWQCSGMA-OAHLLOKOSA-N 432.336 4.731 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@]1(CO)CC[C@@H](C)c2ccccc21 1476730202 ZNPGSGPOQQOGNG-IVZQSRNASA-N 445.357 4.921 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1CCc1nc2c(s1)CCCC2 1496339363 FWZUTPFWKSOWPS-UYAOXDASSA-N 448.640 4.994 30 10 IJEE CO[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(C#N)CC1)c1ccc(Cl)cc1 1504004710 HIPWWXXBMCDMLW-OAQYLSRUSA-N 427.980 4.792 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(C)CCOCC1 1507663908 MQKXWYJOZZWOSL-UHFFFAOYSA-N 431.367 4.532 30 10 IJEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(C(C)(C)C)CC1 1507750556 YUGKXQDAFXBNMK-UHFFFAOYSA-N 446.624 4.680 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@H](C1CCCCC1)N(C)C 1507771023 WKMNILFFIOPGKH-SHQCIBLASA-N 433.644 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN(C)[C@@H](C)CC 1507815430 BAUOBCLXXMXNNQ-KRWDZBQOSA-N 434.426 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCC[C@]2(CCOC2)O1 1507818696 WTALRUZESHBLBV-WZONZLPQSA-N 448.970 4.868 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccs1 1507846627 RSWAHICXSVLPNK-GOSISDBHSA-N 429.615 4.630 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C)C2(CCC2)C1)c1ccccc1 1507919704 HQICXNBDODBQIV-UNMCSNQZSA-N 435.616 4.793 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@]2(CC=CCC2)C1 1507919999 IZIZAHWATHQYEY-WATLYSKOSA-N 428.621 4.931 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(Cl)c1 1508165800 YMPBGVJSNXBECQ-UHFFFAOYSA-N 434.034 4.843 30 10 IJEE CC(C)SCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC#N)CC1 1509882811 ABMPLROQUWJWBH-UHFFFAOYSA-N 435.544 4.818 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1CC(F)(F)F 1510260034 BDSHBZBSXNPLOI-CYBMUJFWSA-N 427.858 4.764 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(CC(C)C)C1 1513987032 HEODHQFPGABHBP-BGWNEDDSSA-N 434.632 4.810 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)cc1OC 1516115431 CBMHZHVGONBQBV-XMELGKRDSA-N 448.332 4.922 30 10 IJEE O=C(Cc1ccc(Br)cc1F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 1526370413 GHYUXEJYWOVRBJ-NXEZZACHSA-N 436.165 4.720 30 10 IJEE C=CCN(C(=O)c1ccc(OC(F)F)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1530618309 BZBCGJKLQIYKQX-UHFFFAOYSA-N 432.408 4.548 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CCCC1 1531944836 YJNRLQOSOVUWKG-UHFFFAOYSA-N 428.960 4.837 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)c1ccc(Cl)cc1F 1535504423 DRSPNEFPQVYICA-ZMZPIMSZSA-N 439.701 4.630 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCCc3cc(Br)cc(F)c32)c(OC)c1 1536653098 FOUKYAHVTDBQJK-UHFFFAOYSA-N 434.305 4.684 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H]2CCCN2CC(F)(F)F)c1 1537401149 AYKXZMQHCZVBAZ-OAHLLOKOSA-N 437.849 4.760 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1)c1ccccc1 1537430374 FCQZTSRHBHMSLK-JOCHJYFZSA-N 431.536 4.660 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C1CCCCC1)N(C)C 1538970269 BPCQDGCRLCYOBV-SFYKDHMMSA-N 441.595 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C(C)C)C(C)C 1538970768 FEOWVLPXPNIXDW-RBBKRZOGSA-N 425.621 4.612 30 10 IJEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1539063467 QLWPXXVKZOJURB-UHFFFAOYSA-N 434.975 4.878 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCc2cccnc21 1539148290 OIBWDWZGRHJQGK-HKUYNNGSSA-N 435.959 4.656 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(C)o1 1539533845 VZQACSQPFGLPAK-SFHLNBCPSA-N 442.629 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccc(F)cc1)N(C)C 1539659489 ZAWYPVPRRZXPRY-HXUWFJFHSA-N 442.970 4.838 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1539974997 YNDIEBOKPLZKGR-MAUKXSAKSA-N 442.457 4.509 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1539986267 XJIYBOJRVLSXOM-OALUTQOASA-N 431.378 4.822 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1540911611 WVJNJNZVOWHYAM-HXUWFJFHSA-N 425.602 4.520 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCCC2)CC1 1540911802 CPIDJJQRUXWRBN-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE N#CCc1ccccc1C(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 1543343896 HWRJLNVQJYCVRK-UHFFFAOYSA-N 425.275 4.959 30 10 IJEE C#CCN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1543686406 ZHOFGAQGRRZBAD-NQIIRXRSSA-N 437.337 4.507 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)cc1 1544250554 FLDVOIOWUUYOBP-JOCHJYFZSA-N 447.535 4.886 30 10 IJEE C[C@H]1CN(c2ncc(C#N)cc2Br)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1559197227 CMOFIILTGFRIPM-ZBEGNZNMSA-N 426.236 4.701 30 10 IJEE C#CCn1ccc(CN(CC)CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)n1 1559804879 ZNQXXZYYBZNCBT-UHFFFAOYSA-N 432.593 4.745 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc(Cl)cc1 1563436461 CDRYPMUXOCTDIT-UXHICEINSA-N 434.342 4.943 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OCc2nnc(C)o2)cc1 1565631805 AACLOMOGBMBTAG-UHFFFAOYSA-N 433.386 4.793 30 10 IJEE COc1ccc([C@@H](C)OC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(Br)c1 1583261302 IBHCDDJFRIJLIY-VLIAUNLRSA-N 429.314 4.603 30 10 IJEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3sc4c(c3C#N)[C@H](C)[C@H](C)CC4)c2C)n1 1584024181 BPBVAQPHFLVOCA-IUODEOHRSA-N 448.596 4.696 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(Br)c(C#N)n2)cc1 1584525665 HJFVLJDGMQTQCP-UHFFFAOYSA-N 435.306 4.991 30 10 IJEE C=CCn1c(SCC(=O)N(CCOC)[C@@H]2CC[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 1586512465 ZMKLFIHHIHKMPM-VQIMIIECSA-N 449.020 4.540 30 10 IJEE C#CC[C@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1587043854 OUEFFDCTMWUYOZ-KSSFIOAISA-N 425.356 4.773 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C1CCC1 1587856779 RHOJTIXTLWUEPX-SFTDATJTSA-N 441.620 4.575 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1593866440 VHFANWFWBQNDFF-GASCZTMLSA-N 432.906 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCCCC2)CC1 1594511833 WBWQYTPYLVEJBD-UHFFFAOYSA-N 442.677 4.691 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2OC)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1594929598 LEEMDXWXXWJKDE-UHFFFAOYSA-N 443.338 4.579 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCCS1)C1CC1 1595070857 PCMMCUKXTZTWQI-OALUTQOASA-N 447.649 4.791 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CC1 1595243570 APILJKZRTUOUPH-UHFFFAOYSA-N 433.339 4.605 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(c3ccnn3C)CC2)cc1 1595613423 CTBUNTBSSYVOEI-UHFFFAOYSA-N 448.615 4.597 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C2CCOCC2)C1 1595844423 BLUNVAYAUHUNTJ-XZOQPEGZSA-N 440.657 4.992 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1 1614888293 CNAFYKGEGARXJL-IBGZPJMESA-N 426.996 4.603 30 10 IJEE CC(C)(C)c1ccc([C@@H]2CCCN2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 1615184016 FBRMSVORPGBULL-QHCPKHFHSA-N 427.552 4.817 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N 1615344545 FGIWVMZLCJORAV-RCCFBDPRSA-N 428.650 4.600 30 10 IJEE CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN[C@H](C)c1ccc(C#N)cc1 1617880588 ARYMOFGSZBKFFR-MRXNPFEDSA-N 433.533 4.753 30 10 IJEE Cc1cccc(S(=O)(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)c1C#N 1621670304 FVQHKGKEHBZVRA-UHFFFAOYSA-N 436.499 4.919 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)OCC 1624573258 NQJYEPWQILQUHG-QHCPKHFHSA-N 428.523 4.570 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 1625055581 BQJKMATUIIRJAT-SFHVURJKSA-N 438.490 4.898 30 10 IJEE CS[C@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C[C@@H]1N1CCCC1 1638041281 CWAGPHHUULLCMX-UNMCSNQZSA-N 441.984 4.656 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Cc2sc(Nc3ccccc3OC)nc2-c2ccccc2)C1 1639240334 FHBGNJBNRJECPN-GOSISDBHSA-N 431.561 4.977 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(Cl)cc1 1642103318 VFDDYLHUTRRTJD-IEBWSBKVSA-N 434.870 4.675 30 10 IJEE C=CCn1c(C)cc(C(=O)CSc2nc3sc4c(c3c(=O)n2CCC)CCC4)c1C 1643474030 UUADRQGACSLACB-UHFFFAOYSA-N 441.622 4.936 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 1643873781 FZIYPERGONCTJZ-GCJKJVERSA-N 442.934 4.924 30 10 IJEE C=CCC1(O)CN(C(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 1644588856 IPODYTIRKJGESE-SFHLNBCPSA-N 445.625 4.546 30 10 IJEE C#Cc1ccc(CNc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)cc1 1652074771 GRQFHDHJQKIEHR-QHCPKHFHSA-N 434.536 4.836 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)C[C@H]2c2cccnc2)n(-c2cccc(F)c2)c1C 1653379540 DNMDZOGYGOUQAF-HJPURHCSSA-N 431.515 4.522 30 10 IJEE C#CCN(Cc1cccc(C(=O)OC)c1Cl)[C@@H]1CCOc2ccc(Br)cc21 1657339270 IBGTZBBLWFYGQM-GOSISDBHSA-N 448.744 4.848 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 1658625899 IBCATAMDDSTOMK-NRFANRHFSA-N 446.894 4.931 30 10 IJEE COc1cccc(-c2csc(CN3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)n2)c1 1659646555 AEGDTRCWSJVOAI-QFIPXVFZSA-N 438.984 4.855 30 10 IJEE C=CCN(CCc1ccco1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl 1661128799 GMLNOGPGMMPRJI-UHFFFAOYSA-N 439.158 4.768 30 10 IJEE CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C#N)n1)N(C)C 1662954119 DWYQINBTNQXVTG-LJQANCHMSA-N 434.371 4.880 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)Cc1cccc(Br)c1C 1664429963 BDLCGSBHGOPJGA-OAQYLSRUSA-N 432.383 4.600 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(F)c(F)cc1I 1667499793 FLTJHKTWAGUNNI-CYBMUJFWSA-N 442.247 4.878 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H](C(N)=O)c2ccc(Cl)cc2)cc1 1670053848 IBMBDSGTVPNJNG-FQEVSTJZSA-N 436.924 4.711 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1671514949 FWTGQGBBFXHEKJ-DEOSSOPVSA-N 448.629 4.607 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(N2CCOCC2)ccc1Br 1671941473 RTTGCTKAVNDRCV-GOSISDBHSA-N 444.373 4.595 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC2CCOCC2)c(C)c1)c1ccc(Br)cc1 1674678187 NYQHINSDUZGQGC-FQEVSTJZSA-N 443.341 4.811 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)C1 1674903468 DNZRPHYARMRAAO-SFHVURJKSA-N 426.538 4.540 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCCN1C[C@@H](C)C[C@H](C)C1 1678351242 CZBNZWNYPLNXMQ-IRXDYDNUSA-N 438.410 4.894 30 10 IJEE C=CCC1(CNC(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)CCCC1 1686451958 ZGFXFJJUNHLPPQ-HSZRJFAPSA-N 436.600 4.768 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(COc2ccccc2)CC1)c1ccc(Br)cc1 1686919685 KFTYITVWDUPXNH-OAQYLSRUSA-N 427.342 4.624 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1cccs1 1690003447 NYDBWWAQNGKALF-UHFFFAOYSA-N 429.574 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1C[C@H]1CCCN(C(C)C)C1 1690193391 KPKOWGORBFALEB-WFIHMLKPSA-N 433.644 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1690211330 YUDVGRCKSZLABL-AJTFRIOCSA-N 433.644 4.566 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1690273283 LPIPOUBOTDQMDV-DEOSSOPVSA-N 439.991 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 1690433664 YXGUNXKYBCQKEG-VQTJNVASSA-N 437.636 4.537 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690496673 VFOVPCMAAQDLQW-RCCFBDPRSA-N 444.542 4.711 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OC(C)(C)C)CC1 1690509815 JZSBDUNEZCQOPA-UHFFFAOYSA-N 448.558 4.524 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@](C)(O)[C@H](C)CC)C1CC1 1690540987 JDKACNIFQRVTLY-VFNWGFHPSA-N 433.394 4.660 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C 1690581192 MWVSEMATNPADFU-GMAHTHKFSA-N 437.632 4.647 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1 1690604304 RZVJMEILSDBYFA-RUZDIDTESA-N 449.643 4.504 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1690605723 VDDQCSLBXUFIPS-OZXSUGGESA-N 445.567 4.993 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2csc(C)c2)C1 1690687769 JAIZEVVMRVUSOY-IBGZPJMESA-N 446.523 4.746 30 10 IJEE C=CCSCCn1c(COc2ccc(Br)cc2)nnc1N1CC=C(C)CC1 1690750157 BJWBAFLJQCTGRL-UHFFFAOYSA-N 449.418 4.695 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1694243402 DFPPBPSZKWKRBQ-KEZQHZCBSA-N 439.604 4.805 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1705520671 BOLGDSZJAVQHPO-UHFFFAOYSA-N 437.632 4.527 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@H]1CCOC1 1705524854 TXZRIDVJMJZWGB-RTBURBONSA-N 430.980 4.574 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705620376 RWSRVHVAZFQWRA-SZPZYZBQSA-N 439.623 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCCN1CCCC[C@@H]1C 1705625786 WVTBZUJWAYMQNO-NRFANRHFSA-N 437.607 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCOC(C)(C)C 1705669544 PFHBGJMBGIWOBS-OAQYLSRUSA-N 431.378 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC(C)(C)C1 1705698564 WCCMHQHPUDKJBW-AVRDEDQJSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1705768125 MFIXURPDQOICDI-RTBURBONSA-N 438.469 4.950 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 1705785544 MJMHCLWGAXAIDU-DRLORSAXSA-N 444.664 4.930 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705792067 LSGSHJICOYCRAS-MOPGFXCFSA-N 429.634 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705793661 FQDHTTBQUOAGPQ-IBGZPJMESA-N 443.661 4.664 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705793803 KKDMJYITLVYZBO-TZIWHRDSSA-N 426.605 4.678 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705825732 BNKIMFYNCLELDS-UHFFFAOYSA-N 441.963 4.768 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccc(C)cc1OCC(F)(F)F 1705872584 DKZPSKKPWZNMMN-UHFFFAOYSA-N 443.473 4.816 30 10 IJEE CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)OC 1708673641 HFQHXIHMUYMKEM-UHFFFAOYSA-N 430.556 4.644 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCC(C)CC2)CCOCC1 1712753540 BLEPVSKFIMLBRV-UHFFFAOYSA-N 439.629 4.744 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCc2c(Cl)cccc2C1 1722320174 ZJTAGSNDGKDOCY-UHFFFAOYSA-N 425.989 4.653 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1722324292 ORZAQLSZQJDRTH-LJQANCHMSA-N 440.588 4.624 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1722456037 YFEDLCHWRBGACG-MRXNPFEDSA-N 447.446 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C(CC)CC)N(C)C 1722472473 FRGZDFGFFLBBDR-RCZVLFRGSA-N 442.051 4.881 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722486255 UPJLNZGBAPWZEA-GOSISDBHSA-N 444.377 4.509 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ncc(CC)s1 1722505753 SEOCCTRSVFJSFO-PGRDOPGGSA-N 429.634 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)CC(C)(C)C1 1722511171 XJCJUCAHQYVWJZ-PTLVVNQVSA-N 438.616 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1nc2c(s1)C[C@H](C)CC2 1722511807 MMKGGBIWWOZXFT-QGZVFWFLSA-N 432.597 4.849 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1cccnc1Oc1cccc(F)c1 1722517597 MDJNWKJGDZXWRU-IBGZPJMESA-N 437.519 4.559 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(NC(C)=O)CC1 1722589239 FRHUPACTHGWYME-UHFFFAOYSA-N 441.645 4.586 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCOC1 1722595216 MDWVTOHOPZLSQF-MRXNPFEDSA-N 436.398 4.645 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)(F)F)CC1 1722612881 MKDDGACVKQAXSM-UHFFFAOYSA-N 448.320 4.902 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1Cc2cccc(Br)c2C1 1722629318 IUZAZLRCENHVDC-UHFFFAOYSA-N 433.394 4.742 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1occc1C 1722671660 BAMLYMOVOHLVNF-UHFFFAOYSA-N 441.576 4.521 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC(C)(C)OC(C)(C)C1 1722687455 AHTGEIQCOQAVMC-UHFFFAOYSA-N 432.996 4.831 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2C(F)(F)F)C1 1722717087 CYNKQIPQZLJMDN-KRWDZBQOSA-N 432.446 4.695 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1727712169 FKYSAHQWOSTUED-MOPGFXCFSA-N 436.585 4.648 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OCCC)cc1 1740602963 BEIXVYBFAGKVGL-UHFFFAOYSA-N 445.386 4.676 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCN(CC(C)C)C1 1740650414 ZMFKKBIFBCIOEN-QFIPXVFZSA-N 443.595 4.522 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1 1740781566 OHPIAIGDMHQJKF-HXUWFJFHSA-N 425.577 4.605 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CCCN2CCC(C)CC2)CC1 1740829609 ZSYCDWOKRICMQN-UHFFFAOYSA-N 437.632 4.698 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C#N)o1 1740857816 WQHZGHSITOSKRF-NHCUHLMSSA-N 425.577 4.892 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC1CCN(CCC)CC1 1740919790 RYENTSXCRGTOEZ-UHFFFAOYSA-N 448.590 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740924128 HPPDWXUEORLVKB-LJQANCHMSA-N 427.662 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1cccc(N(C)C)c1 1740924236 KSSXPSHHCNGNOB-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC[C@@H](C)C2)C1 1740977058 CGGYBGPBVFMCAF-GGAORHGYSA-N 437.632 4.547 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H]1CC 1740995659 TXKUJFCDSMPDTG-XLIONFOSSA-N 427.618 4.691 30 10 IJEE Cc1ncsc1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1742052952 CTTLHZVIDBQWFQ-HOCLYGCPSA-N 444.992 4.818 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2C)C1 1748735140 PKCSSXYVYSFUIB-KRWDZBQOSA-N 438.373 4.751 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccnc(SC)c1 1748935540 WREZRARBFLQFLG-UHFFFAOYSA-N 449.624 4.914 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1748935985 ISMKWOVAACOOEP-RDGATRHJSA-N 447.652 4.667 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1749058663 NVWPBPVELVRCMB-YDIMBITNSA-N 426.008 4.711 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H](C)CC 1749097423 ATHJFEDJPAKJTP-CQSZACIVSA-N 430.350 4.991 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(Cl)c1 1749133764 PZESQLDFHDVVRL-NZQKXSOJSA-N 437.975 4.535 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1749305641 ZQAGKGJRTDWJII-SFTDATJTSA-N 425.596 4.532 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)c2ncc(C)s2)CC1 1749311196 IACVZUHDKWNNBE-INIZCTEOSA-N 427.549 4.721 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749396271 YWOPXMKNNJEWCH-LJQANCHMSA-N 447.612 4.513 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749421778 QUCBQWSYKJRFMT-GOSISDBHSA-N 428.577 4.711 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1nccn1C(F)F)C1CC1 1749507905 DHADMLVUZXGZPA-UHFFFAOYSA-N 449.303 4.502 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1749755284 XZBQFYYCFHQLHA-UHFFFAOYSA-N 440.539 4.522 30 10 IJEE Cc1ccc2c(CCn3c(-c4cnccn4)nnc3N(CCC#N)CCC(C)C)c[nH]c2c1 1751590753 CJFXGOCPKMGXQY-UHFFFAOYSA-N 442.571 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H](C)N1CCCCC1 1760126098 XZHHGWJBVSYBFA-OALUTQOASA-N 446.064 4.946 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1760130693 LDXWJPATGXDGOT-IBGZPJMESA-N 442.677 4.671 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[C@@H](OCC)C1CCCC1 1760170725 NZVFKVYHJRKFRP-JOCHJYFZSA-N 433.556 4.655 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H](SC)C(C)(C)C 1760226823 ZPSFBVVSEPWQHK-QGZVFWFLSA-N 435.435 4.945 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(CC)CCCC2)CC1 1760254255 RYYXMURRXSGHJF-HSZRJFAPSA-N 449.643 4.761 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](CC)C1 1760343481 WRIZDIXOWUPJTP-CQSZACIVSA-N 425.758 4.552 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)C[C@H]1CCOC1 1760350690 PZAMLLFDIHWDBD-MRXNPFEDSA-N 447.004 4.879 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)[C@H]1C)c1ccccc1 1760362301 GQYUYHCEGFOZJM-GOEBONIOSA-N 426.362 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760413781 UGRSCPUOLXFVGX-NRFANRHFSA-N 438.616 4.611 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760435814 WWSXSEFBYPMOAA-HXUWFJFHSA-N 435.616 4.695 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1760437063 PYICIUFSUWFILN-IBGZPJMESA-N 432.597 4.728 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 1760453373 UTAHZKOQWIQACB-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760560183 PKDZCBOEPZAUQH-XZOQPEGZSA-N 440.657 4.992 30 10 IJEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H](C)N(C)Cc2ccccc2)o1 1761754026 HAHCPTGHEGWWQE-FQRUVTKNSA-N 446.599 4.887 30 10 IJEE CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858846640 PYGYBGYIPLMEOH-KRWDZBQOSA-N 443.507 4.874 30 10 IJEE Cc1nc(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)nc(O)c1Cc1ccc(Cl)cc1 1859435391 MPYRVVQYJIOOAH-AWEZNQCLSA-N 438.940 4.726 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1ccc(Br)cc1 1860731252 HGFZCXRKSUNHSI-KRXBUXKQSA-N 427.067 4.572 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860948815 NDSQTHHYRIDOPN-QFIPXVFZSA-N 445.007 4.915 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc2nc(CCC)[nH]c2c1 1861455898 OAJGDMQFWNMMRI-FQEVSTJZSA-N 446.661 4.844 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2cccc(F)c2)cc1 1862391337 YHKLOGILZXTRIP-QHCPKHFHSA-N 447.510 4.712 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1)c1c(F)cc(F)cc1F 1862456770 ACBAWOIHLPBAQX-IBGZPJMESA-N 431.341 4.615 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862479674 NJCSNJFZGKJSOZ-FYYLOGMGSA-N 435.520 4.541 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccc1Cl 1862568964 CLJMVLFQJZQWSR-XCLFUZPHSA-N 429.900 4.734 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)CCCN2C 1862622271 CLXKTCNSOHZMRI-QHCPKHFHSA-N 432.564 4.965 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCC2)c1 1862631232 MWHQFVFXXBUBPN-HSZRJFAPSA-N 449.503 4.725 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(F)cccc1Cl 1862736932 BMXSONPORYSGJG-BBATYDOGSA-N 432.835 4.764 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOCC)=C(c2ccc(OC)cc2)C1=O 1863672137 CWVMRQSEMWFCIZ-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE CC(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 1866969781 SKJSFANNTXXQJT-DQEYMECFSA-N 443.522 4.803 30 10 IJEE CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(C#N)nnn1-c1cccc(C(C)(C)C)c1 1870137038 XEXZWWYLJGRTCJ-UHFFFAOYSA-N 437.931 4.886 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CSCC 1870282591 LURPYKDOCKBCCT-UHFFFAOYSA-N 431.602 4.874 30 10 IJEE C#CCOc1cn(CCCCCC)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1871008586 DAODINFCXCCYPC-UHFFFAOYSA-N 426.557 4.850 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4[N+](=O)[O-])cc(C)c3C2=O)c1 1871374749 XXHYIYMWVIVKNM-UUYOSTAYSA-N 445.427 4.676 30 10 IJEE Cc1cc(O)c(CN(C)C2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871392967 GKQJJTPDXYUCDY-IWIPYMOSSA-N 434.580 4.966 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871418347 OYXLIYREHCJZBT-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871421901 BJBWXTAYMOIVPE-FMCGGJTJSA-N 445.446 4.970 30 10 IJEE CC(C)=C1Oc2c(ccc(OCC(=O)Nc3ccc(Br)c(C)c3)c2C)C1=O 1871422596 SZASNPMQTGYPEZ-UHFFFAOYSA-N 430.298 4.952 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871886290 SAVQHOZKASDIDK-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872149079 AHRZFGLZPJTTFH-UWJYYQICSA-N 434.989 4.960 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422864 SUJNGPDFSAXDPG-UHFFFAOYSA-N 441.531 4.871 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2[C@H]2CCCO2)cc1OCc1cccc(Cl)c1 1873504965 UVSKAVSNTRBMHV-BYWZACNXSA-N 444.944 4.542 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(F)cc1)Nc1ccccc1F 1874425895 GLESRXJCIXDPON-VULFUBBASA-N 449.486 4.836 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc(O)c1 1874454706 MKONFVICAILQDZ-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1ccccc1O 1874475560 HCWHSVKMRAEZOG-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cc(C)ccc2O)o1 1874495322 FWEGGSDYVPERAR-FSJBWODESA-N 440.525 4.504 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)c(Cl)c2)c1 1874530117 RUQAJBRTAPOBCD-LSHDLFTRSA-N 434.352 4.815 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2COc2ccccc2OC)cc1 1874563636 OVRVRNVDJNXLOW-HZHRSRAPSA-N 426.542 4.606 30 10 IJEE COc1ccc(OCc2nnc(S)n2/N=C/c2ccc(Cl)cc2)c(C(C)(C)C)c1 1874570833 LANSBCJGWZYASA-FSJBWODESA-N 430.961 4.988 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)OCC(C)C)c(OC)c1 1874587807 GFWNQXRCTZLDBO-WEVVVXLNSA-N 432.900 4.831 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)c1 1875099014 PWYIRLWJGQDCPF-UKTHLTGXSA-N 448.471 4.593 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@](C#N)(N(Cc1cccs1)C(=O)OC(C)(C)C)C2 1939375447 VVJQSODYRRUURT-LBUQITIBSA-N 433.574 4.777 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1964772155 IUWNBJOHAXCVJC-BZSNNMDCSA-N 441.410 4.868 30 10 IJEE CC#CCCC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2018328956 CUESJCPYVCPZPE-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE CN(CCCOCc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)c2ccsc12 2052614562 PYYXMMRPHHISBR-UHFFFAOYSA-N 438.402 4.639 30 10 IJEE Cc1ccc([C@@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)c(O)c1 2079014245 YIPXZFBTDAUCJA-QGZVFWFLSA-N 447.320 4.814 30 10 IJEE Cc1cc(C)c([C@H](C(C)C)n2nc(C)c(/C=N/O)c2I)cc1C 2079106350 GJYUIHPXRGYDEM-WZIKDTQPSA-N 425.314 4.775 30 10 IJEE CCOC(=O)c1nn(-c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079241419 NZFHPLIZXKYGRJ-UHFFFAOYSA-N 449.120 4.988 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNc2cc(Br)c(C#N)cc2F)C1 2111963083 UTAKTFQLUPUOCF-CKSWESSHSA-N 430.293 4.515 30 10 IJEE Brc1csc(CN=C2N[C@@H](c3cscn3)CS2)c1Br 2119012916 VXZUGBWTSJXJDF-MRVPVSSYSA-N 439.223 4.663 30 10 IJEE CC1(C)OB(c2ccc(CNCCc3ccc(OCc4ccccc4)cc3)cc2)OC1(C)C 2151200771 WZYPZMGAYITECB-UHFFFAOYSA-N 443.396 4.897 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(OCCNc2ccc(C#N)c(Br)c2)CC1 2162415681 QECFHWBMWQOAAY-UHFFFAOYSA-N 438.366 4.585 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N(C(=O)OC(C)(C)C)C1 2180959564 FSZOEOCITOKMLR-KURKYZTESA-N 441.410 4.725 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180964424 YCHXKTPZJZLKNW-RDJZCZTQSA-N 436.350 4.733 30 10 IJEE Cc1cc(Br)c(C(=O)N[C@H]2CC[C@H](C#N)CC2)cc1NC(=O)OC(C)(C)C 2181045479 GWLKBEODWMVYJA-HDJSIYSDSA-N 436.350 4.917 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181102135 BIOKLBRLJILQSO-WWGRRREGSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)C#Cc3ccccc3Br)CCCC[C@H]12 2235733370 UHTDMRRDVPJOMY-AVRDEDQJSA-N 432.358 4.940 30 10 IJEE CN(C(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2255853882 VTOXXRVUWVOBMT-WKILWMFISA-N 430.354 4.869 30 10 IJEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N[C@@H]2CN(Cc3ccccc3)C3(CCCCC3)C2)OC1(C)C 2267091516 RAZVXDGJCNTAPY-FDFHNCONSA-N 438.421 4.562 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2c(F)cccc2Br)NCC)C1 2274022881 CAQGVDDYWNMRNF-KRWDZBQOSA-N 427.358 4.722 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@H](N)C#Cc1ccc(Br)cc1 2278817804 KAFSPHGOIIZKSU-IAGOWNOFSA-N 441.435 4.553 30 10 IJEE CCOC(=O)C=C1CSC(=Nc2ccc(OC)cc2)c2c(c(C#N)c3ccccn23)N1 2293077769 GBCKEJSDJNKJFT-UHFFFAOYSA-N 432.505 4.504 30 10 IJEE CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C(C)=O)cc1 2295203869 QBVGDNSOWMNGKH-UHFFFAOYSA-N 439.562 4.892 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@@H](N)C#Cc3ccc(Br)cc3)C2)C1 2296296460 NWJQUMDGNLPUBT-OZWAEMERSA-N 433.390 4.555 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)c1 2296867429 OSXJKTZTLZSFCE-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCOc1ccc(N=C2SC(=Cc3cc(OC)c(OC)c(OC)c3)C(=O)N2CC)cc1 2297462030 VKDVFVVOMACYGO-UHFFFAOYSA-N 442.537 4.735 30 10 IJEE CN(C(=O)OC(C)(C)C)C(C)(C)CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317354063 LZWSZCCINKHIPK-BUHFOSPRSA-N 431.386 4.784 30 10 IJEE CCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1cccc2ccccc12 2321048325 CQBHBIHBMWSZNG-SFHVURJKSA-N 443.576 4.845 30 10 IJEE CCCCCOc1ccc(C=Nn2c(S)nnc2Cc2ccccc2F)cc1OC 2321981691 NEDFMKKTDHPXDU-UHFFFAOYSA-N 428.533 4.757 30 10 IJEE CCc1ccc(OCCCc2nnc(S)n2N=Cc2c(O)ccc3ccccc23)cc1 2322217903 SJHZDKNDHGIZGM-UHFFFAOYSA-N 432.549 4.882 30 10 IJEE C#CCN(Cc1ccccc1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2323173556 FAXRWGNJUJHKBB-SANMLTNESA-N 440.584 4.679 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 2323379825 STLTZMHOSRSLML-UHFFFAOYSA-N 440.496 4.527 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCCc4ccccc43)C2=O)cc1 2324023725 NTORLVOTFITXCU-UHFFFAOYSA-N 441.483 4.748 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OCC 2324305779 DXNFJSIENFGSFK-UHFFFAOYSA-N 425.525 4.512 30 10 IJEE Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324405587 UXUOEXKJPGFEED-INIZCTEOSA-N 444.443 4.925 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(OC)c2)cc1Cl 2324623698 ZCHPYIMXCZCUSB-UHFFFAOYSA-N 432.900 4.831 30 10 IJEE O=C(C=Cc1cccc(Cl)c1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 2325623583 PHMHZSILVBNDPN-UHFFFAOYSA-N 444.068 4.885 30 10 IJEE Cc1ccccc1C=C1Oc2cc(O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2C1=O 2325628037 BQIXTMLGKVWHRE-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1ccc(N(C)C)cc1 2325723112 FYPIHWACGXXXRD-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(O)c(Br)c1 2326269138 RXZFOCBXVWMRKA-UHFFFAOYSA-N 435.322 4.622 30 10 IJEE CCOc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)cc1 2326661070 OAVPZWGSMVPNHK-UHFFFAOYSA-N 447.564 4.769 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(C)ccc1O 2329622574 IHRMGAKHRDQFDO-UHFFFAOYSA-N 444.944 4.540 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1 2331187037 HMLJJJYMBWGDBL-UHFFFAOYSA-N 436.468 4.638 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1C1CCC1 2331484162 RBDPLIDLBZJGRZ-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccccc1OC 2331674915 OIVSHQHIARKLRW-UHFFFAOYSA-N 437.569 4.586 30 10 IJEE COc1cccc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1Br 2364854037 PNMGAGAPHJWAJV-UHFFFAOYSA-N 439.546 4.549 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)CCCc3ccc(Br)s3)C2)OC1(C)C 2368348679 DWOKJAFMYYAYDU-LJQANCHMSA-N 442.228 4.918 30 10 IJEE N#Cc1cc(N[C@]2(C(=O)O)CCCC[C@@H]2OCc2ccccc2)ccc1Br 2375627259 ILQIBUIHZQWVPZ-PZJWPPBQSA-N 429.314 4.715 30 10 IJEE Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)S1 9324468 HDKYTPVEWNFDJK-LZYBPNLTSA-N 437.304 4.657 30 10 IJEE CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)S/C1=N\c1ccc(Cl)cc1 15016621 HFLXHEGURSFWHQ-AXQLPKCZSA-N 448.729 4.659 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1)Nc1cccc(Cl)c1 21081236 WVZURDAJNAKPCN-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE COCOC(C)(C)C#C[C@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@@]21C 26522223 KZCGXVQSDRGSNX-CCRXENQBSA-N 442.596 4.828 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2cc(C)cc(C)c2)c1C 32972191 KAEBRJQEGYOMNA-UHFFFAOYSA-N 435.547 4.982 30 10 IJEE CCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2c(C(=O)Nc3ccc(C)cc3)cnn21 64874227 LLYWYRGFRQPQJI-XMMPIXPASA-N 442.519 4.865 30 10 IJEE C=CCn1c(SCC(=O)N2CCCCCCC2)nnc1-c1ccc(Br)cc1 96952554 AQSSMOGIEXTVSZ-UHFFFAOYSA-N 449.418 4.778 30 10 IJEE COc1cc(/C=C\C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cc(Cl)c1O 96991433 SZFXPASVUFDQDL-HYXAFXHYSA-N 437.805 4.858 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(Cl)c1 100194485 LGFNAXPOWFWZRL-GOTYSUTNSA-N 431.945 4.637 30 10 IJEE O=C(C[C@H](/N=C\c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 103279859 UATKMMKWSZSPTD-QZPXRHMKSA-N 444.658 4.934 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCNC(=O)/C=C/c2ccco2)cc1Cl 107877604 CZBOGKSPBNBYNJ-ZUURVNMSSA-N 433.895 4.747 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921665 UKOLGGBQEGZFEO-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929223 PIYMWQSFGKOHNH-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 169938412 JEFUPEYIDAEJNO-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCOC(=O)Cc1csc(N/N=C\c2ccc(OC)c(OCc3ccc(C)cc3)c2)n1 169941476 QLZXXJSDKZWMGM-CFRMEGHHSA-N 439.537 4.591 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)c1OC 169951239 VQCDHNWTAVSKAG-JOCHJYFZSA-N 446.503 4.706 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)cc2)cc1 169962023 CQJJMXJLVVIHAY-QHCPKHFHSA-N 429.472 4.746 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2ccc(F)cc2)c1 169972645 AADKATGRHAAROU-HXUWFJFHSA-N 436.508 4.986 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 170066174 IAZYNYKVQGGHKF-QHCPKHFHSA-N 437.536 4.822 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccco2)c1 170089723 RNKWTHDHSCEFCB-NRFANRHFSA-N 448.431 4.760 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(OC(C)C)c1 170153297 HJGJLUVVKHWNTF-LJQANCHMSA-N 428.554 4.926 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccncc2)ccc1Cl 170212005 PSGFKWSPOFVNKA-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)c1 170238889 JUUPZSVETIXWPP-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F 170251078 WBMGRDRMOPTWJX-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170266680 ROZIXMDAPACZGT-QHCPKHFHSA-N 433.504 4.889 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccco2)cc1 170285464 MYUZAZZLFPDMFA-NRFANRHFSA-N 437.423 4.609 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1sccc1C 170317781 SDPASWBRZAITHA-HXUWFJFHSA-N 425.550 4.550 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1O 170408842 ZJDQJOPDTQCESL-LJQANCHMSA-N 443.427 4.523 30 10 IJEE C=CCn1c(Sc2cnc(C#N)cn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 302255807 YUUXMAVJFGHYQR-UHFFFAOYSA-N 435.509 4.571 30 10 IJEE C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)c1 439366341 AXCDKIVVSZWHEZ-UHFFFAOYSA-N 432.524 4.738 30 10 IJEE C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 471003669 FSTRJUGLOSSIRS-MGPUTAFESA-N 442.350 4.987 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N1CCCc2ccccc21 489612929 FXIOZYQLDMWQGH-IBGZPJMESA-N 448.592 4.812 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 508826933 PFQHCPZZCVIDNZ-URXFXBBRSA-N 448.567 4.671 30 10 IJEE COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607279 OREQWXPEROROQP-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE COc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(Sc2ccc(C)cc2)C1=O 526662140 OKBYHUDWLXOHGY-UHFFFAOYSA-N 441.512 4.865 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526802123 CUMRYENSMISVGE-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C\c1cccc(OC)c1OC 526803237 SYYKAWBEQICDCJ-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)c1ccc(I)cc1 698855409 NZQLMDLDFBTCIO-GFCCVEGCSA-N 440.203 4.655 30 10 IJEE C=CCC1([C@@H](Cc2c(F)ccc(Br)c2F)NC)CN(C(=O)OC(C)(C)C)C1 722920547 NQNLVSSUTBVMEO-MRXNPFEDSA-N 445.348 4.671 30 10 IJEE C#CCCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 742785793 XYMYDZRDHZMGOD-ISLYRVAYSA-N 426.516 4.882 30 10 IJEE O=C(/C=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc(C(F)(F)F)nc1O 743058400 YIGIPUOXLFTFFC-ZRFDWSJLSA-N 427.806 4.913 30 10 IJEE COc1ccc(CNC(=O)N(Cc2ccc(OC)c(OC)c2)C2CCCCC2)cc1C#N 770281778 WMTLZVAGBLIJSP-UHFFFAOYSA-N 437.540 4.629 30 10 IJEE N#C[C@H](C(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)c1nccc2ccccc12 792101689 BXKROCVPRQMCOQ-MRXNPFEDSA-N 446.557 4.543 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 792930810 AZLNTOPMAJMTKC-UHFFFAOYSA-N 435.524 4.542 30 10 IJEE C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 799931798 CTAFSLSIBQVCML-GOSISDBHSA-N 446.576 4.648 30 10 IJEE FC(F)(F)Cn1cnn(CN2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c1=S 800862703 WOQKFYQOFLQBTJ-AWEZNQCLSA-N 428.377 4.523 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 802576720 DNQQQCTZGDFNGD-UYAOXDASSA-N 441.576 4.730 30 10 IJEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1ccc(C)cc1O 1084242602 WJGZEECPIHGRCI-UHFFFAOYSA-N 425.901 4.668 30 10 IJEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 1084590627 PPXXUSWCXYKGAA-XMMPIXPASA-N 432.455 4.501 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2cn(-c3ccccc3Cl)nn2)n(-c2ccc(C#N)cc2)n1 1128824110 CZCFBLDLXUPIPA-UHFFFAOYSA-N 445.914 4.528 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)n1 1130113569 CJKDGAZMTWVEBA-UHFFFAOYSA-N 440.410 4.534 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 1130322171 CPEYWWRLFOVOQT-MOPGFXCFSA-N 443.341 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3ccc(C#N)cc3Br)C2)CC1 1137632459 BBERFBZVSZFORU-UHFFFAOYSA-N 448.405 4.934 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 1148415665 SGPNCOBSHNMJTF-KRWDZBQOSA-N 439.343 4.559 30 10 IJEE C#C[C@@H](NC(=O)C1(N(C(=O)OC(C)(C)C)C2CC2)CCC1)c1ccc(Br)cc1 1159634498 LZBQCTDXLAGWKZ-GOSISDBHSA-N 447.373 4.562 30 10 IJEE C#CC1(NC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)CCCC1 1175861354 DGBVYECOEIPBGM-UHFFFAOYSA-N 425.554 4.757 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1OC 1178209632 ZJZNMEVQDBDJDR-CQSZACIVSA-N 439.314 4.601 30 10 IJEE O[C@](CNCc1cccc(OC2CC2)c1F)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1179837912 DTKJRVLHTCXATC-GOSISDBHSA-N 437.355 4.925 30 10 IJEE C#CCN(Cc1c(C)nc2scc(C)n12)[C@H]1CCOc2ccc(Br)cc21 1180292480 MCYHJVPMAUWLJL-KRWDZBQOSA-N 430.371 4.734 30 10 IJEE C#CCN(C[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCOc2ccc(Br)cc21 1204922546 AULNKDOKPRZZIM-PGRDOPGGSA-N 425.370 4.734 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1 1221127141 GAIYYDJFELQKOR-UHFFFAOYSA-N 436.987 4.765 30 10 IJEE C#CCC1(NC(=O)NCc2ccc(Br)c(Br)c2)CCCCC1 1255830633 VCHJYSFSKMSFNQ-UHFFFAOYSA-N 428.168 4.737 30 10 IJEE C=CC[C@H](OC(=O)Cn1ccc(Br)cc1=O)c1ccc(Cl)c(Cl)c1 1270235715 NVBHUCUSIBMWTP-HNNXBMFYSA-N 431.113 4.778 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 1275389222 HKLXOWVPVYNYRC-OAHLLOKOSA-N 430.346 4.898 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1286283741 UMTYSMPTEQULNU-QTGUNEKASA-N 449.986 4.928 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1cccnc1)C(C)C 1286399775 NWXDJUYNUINGDN-RUZDIDTESA-N 437.591 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCCC[C@@H]1C 1286424213 VEKQPIAZLBYTNU-QHCPKHFHSA-N 445.655 4.970 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ncc(CC)s1 1286452091 BNIMHYLIAVFZDJ-UHFFFAOYSA-N 446.045 4.945 30 10 IJEE C=C(C)Cn1c(N2CCC3(CCCCC3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286599504 WHBFOOMALMOKLA-KDURUIRLSA-N 429.609 4.786 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](SC)C1 1286610093 WXGPVPUCKLAONL-HXUWFJFHSA-N 435.037 4.837 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 1286617788 QUICCHXJWLREBW-UHFFFAOYSA-N 449.559 4.526 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286694871 IZKZQECUFFQGNA-MOPGFXCFSA-N 428.577 4.787 30 10 IJEE C=CCCOCCn1c(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C 1286716373 MMTHKCSKGAZRQS-IBGZPJMESA-N 436.959 4.539 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286717646 FIJDYBMYGVQQKI-GOSISDBHSA-N 431.968 4.620 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)OC 1286764063 DOZGTIALWGTGOO-UHFFFAOYSA-N 433.556 4.690 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1CCCCC1 1286766907 ZYZUPRKCISEDON-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(CN2CCCCCC2)cc1 1292393922 CKVTYGSQZTUSNT-UHFFFAOYSA-N 442.357 4.714 30 10 IJEE CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(CC)CC)nc1 1293259505 FXLCEJPSYNJZDK-XXBNENTESA-N 443.599 4.731 30 10 IJEE C=CCNc1ncc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)C[C@@H]2CCC)s1 1295591531 GMAFVWWQJDKDDP-KRWDZBQOSA-N 438.519 4.891 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(COC)CCC1 1300430893 QIMYRPNQXVTXFN-SFHVURJKSA-N 430.980 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCC1CC(OCC)C1 1300790708 VBFVPDRBJAUDRT-OGRDWSCISA-N 430.955 4.935 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@]2(CCSC2)C1 1300837871 XYQGRZGCYOFMKQ-GOSISDBHSA-N 439.810 4.841 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1301120442 RBXWRFBNYAXTRG-UHFFFAOYSA-N 449.521 4.917 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1301299346 JNDSZVUCXGLPJQ-OAQYLSRUSA-N 439.991 4.965 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1Cl)C1CC1 1301315869 DGHWKJOXVVUWRK-UHFFFAOYSA-N 446.780 4.903 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@@H](F)C1 1301337370 FKOQTOMKFPHGCW-PWRODBHTSA-N 428.552 4.512 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1301346998 MOJTZZPVOGUGNU-AMGIVPHBSA-N 446.643 4.987 30 10 IJEE CC(F)(F)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1303933072 FSFAYHDMFGFHLD-DENIHFKCSA-N 429.515 4.810 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1304973374 FPCLMKKETBBOCI-UXHICEINSA-N 444.583 4.726 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC[C@@H]3Cc3ccc(F)cc3)c2C#N)C1 1307425465 GRBOOSMZCLHICM-VQIMIIECSA-N 425.573 4.919 30 10 IJEE CCN1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C[C@H]1C 1307516242 FFGYNCJIUTZVGM-QRVBRYPASA-N 444.689 4.904 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 1310058333 UZAUELGSQRNWMB-OKZBNKHCSA-N 431.577 4.973 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](c1ccc(OC)nc1)C1CC1 1310862943 BRYMXSDGDCPXFJ-LJQANCHMSA-N 432.318 4.690 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)Cc3c(C)nn(-c4ccccc4C)c3C)cc2n1 1311238149 VSFOPLUATXXVGZ-UHFFFAOYSA-N 428.540 4.997 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@H](CC)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1F 1312942036 JUFGFQGTQFRWHU-FCHUYYIVSA-N 431.914 4.771 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2nc3ccccc3n2-c2ccccc2)cc1Br 1354740576 HRNIXCFXQDIOEX-UHFFFAOYSA-N 447.292 4.677 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1scnc1C 1358878472 XCRKDQJWKAZMDR-HUUCEWRRSA-N 425.627 4.597 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCCCN1CCCCC1 1359003879 AENQLUSDRFNGLZ-UHFFFAOYSA-N 431.987 4.853 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)COC)CC1 1359169097 UGLVYRPMDNTNAS-OAHLLOKOSA-N 425.360 4.603 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359191346 WKZPPPKXTOCSGY-PKTZIBPZSA-N 438.616 4.822 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(OC)CC1 1359223932 AHIWZNANAHKBGK-QFIPXVFZSA-N 436.959 4.726 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1359273157 QSXBKIHNOLKSFO-CLOONOSVSA-N 443.586 4.836 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCC(F)(F)C1 1359273608 HWDCIKXHFXPETP-IBGZPJMESA-N 440.542 4.911 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)c1 1359978686 HAIBRGJTKCFWCX-IBGZPJMESA-N 443.341 4.659 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C 1436137006 UMRVAOUQSKNWTE-HSZRJFAPSA-N 438.568 4.736 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1 1436649350 SSHYDZPQTDQMFG-WOJBJXKFSA-N 430.907 4.578 30 10 IJEE C#CCN(C(=O)c1cc(C)ccc1I)[C@@H]1CCCc2ccccc21 1439629472 XIEGQVQGLNETFU-HXUWFJFHSA-N 429.301 4.753 30 10 IJEE C#CCN(CC(=O)Nc1sc(C)c(C)c1C)[C@@H]1CCOc2ccc(Br)cc21 1459510109 JGSFRNCBTOGAAP-GOSISDBHSA-N 447.398 4.833 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)n1 1459757279 FYPNEEWTFJNAPP-JOCHJYFZSA-N 442.346 4.992 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)cc2)cc1 1465437561 IEYYBHHJZMRAGA-QGZVFWFLSA-N 448.429 4.556 30 10 IJEE CN(C)CCN(CCCc1ccccc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1468949838 BWVRMVGNZTWVQZ-UHFFFAOYSA-N 446.620 4.993 30 10 IJEE C=CCSc1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 1471918369 PWQDFELTFZSDQA-CVEARBPZSA-N 444.519 4.882 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 1475291208 ZXZDQFXYQQQGOI-UHFFFAOYSA-N 443.535 4.824 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c(C(F)(F)F)c1 1475308244 GJEGBLMUCSXDCA-QGZVFWFLSA-N 432.826 4.799 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 1478563154 DMTYIRBNTJCADB-SFHVURJKSA-N 434.367 4.979 30 10 IJEE CCc1nc(CCn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)[C@H](C)CC#N)cs1 1498338657 FVUXYMIPJMCAHQ-MRXNPFEDSA-N 447.568 4.600 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCN1CCCC 1507526651 DHNICAJFFCYSBC-RTWAWAEBSA-N 432.616 4.549 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1507580211 VZBPLPABKWMVKQ-AREMUKBSSA-N 436.600 4.790 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](OC)C(C)(C)C 1507608858 MKKSREWEUPMKFT-HXUWFJFHSA-N 426.561 4.943 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1N(C)CCCC1(C)C 1507682599 RVTGHEFSHVBEGV-QFIPXVFZSA-N 439.673 4.855 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC[C@@H](C)C1 1507704546 GIYDGVWJTXJVSZ-SJLPKXTDSA-N 445.405 4.538 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)N(CC)CC)CC1 1507909021 ONBGAEPXIRHLSM-NRFANRHFSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCN1CCCC(C)(C)C1 1508007917 JJSSFJXRKMGFPQ-OAQYLSRUSA-N 443.661 4.896 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1508154655 ZNGGKWYOXFQDPF-XZOQPEGZSA-N 449.624 4.863 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CCCCC1 1517947479 GMKKKVQMUIHZHF-PMACEKPBSA-N 437.588 4.560 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1521114310 BJWSUSDCZGXKSB-QHCPKHFHSA-N 448.533 4.823 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 1524983404 KSGPKPUJKNIPTK-UHFFFAOYSA-N 444.251 4.818 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc3cc(OC)c(OC)cc3c2)cc1 1526772964 APZLPRVMCLZJKN-UHFFFAOYSA-N 430.504 4.924 30 10 IJEE C#C[C@@H](C)NC(=O)c1cc(/C=C/c2cccc(OC)c2)nc2ccc(Br)cc12 1528047588 MDAKJGZIXKYXEX-TUPIDYKKSA-N 435.321 4.928 30 10 IJEE CSc1nc(O)c(C(=O)N2C[C@H](C)Cc3cc(C(F)(F)F)cc(Cl)c32)cc1C#N 1534567864 JWHCMEYWHIHSNT-SECBINFHSA-N 441.862 4.892 30 10 IJEE C#CCCCCCC(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 1536580907 NBXSWITWWXKMDM-UHFFFAOYSA-N 442.556 4.765 30 10 IJEE C#CCC1(NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)CCOCC1 1537957108 BGZOZYVZLKOSKL-UHFFFAOYSA-N 442.346 4.699 30 10 IJEE C#CCN(C(=O)c1ncc(Cl)cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1538199674 XFRPJMSQRFRSCZ-OAHLLOKOSA-N 440.124 4.750 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)cc2n1 1538562847 QAQNNIGSFHVHIO-UHFFFAOYSA-N 426.398 4.964 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)C(C)(C)C)cc1 1539005922 BOWXZIUXSHMEPR-JOCHJYFZSA-N 444.522 4.924 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1539052147 NFVPMMCIKBJIRQ-ICSRJNTNSA-N 443.389 4.516 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCC[C@H]1C 1539272909 GYBMKEAQCRYZJK-TZIWHRDSSA-N 439.003 4.761 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1539336743 DYGYSWSHDBVWEN-ROUUACIJSA-N 448.464 4.753 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCSC 1539344912 MMUSDMJPKLKLQZ-UHFFFAOYSA-N 425.627 4.980 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1C[C@H](F)C1 1539389733 BJVITMHLEXZZLA-IRJFHVNHSA-N 441.913 4.911 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC(CC)(CC)C1 1539779783 GARDGXVIFRUERP-UHFFFAOYSA-N 444.830 4.900 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOCC2CCOCC2)CC1 1539845768 AKGIKSNLQNYFIG-UHFFFAOYSA-N 445.007 4.512 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CC(C)C)CC1 1539928456 AVXFPQUGLPMWCC-UHFFFAOYSA-N 439.648 4.854 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(C)C)CC1 1539953976 WOONOKKGUHWUAA-LJQANCHMSA-N 432.012 4.958 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1540028453 NUTGDNWTCCJTHL-GOSISDBHSA-N 427.936 4.829 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@](C)(OC)C1 1540029821 ZRMXWHNXPINPSH-DEOSSOPVSA-N 444.645 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@@H]1OC 1540121669 LVHHTAIVNOGQCL-VXKWHMMOSA-N 431.540 4.726 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(CCOC)[C@@H](CC)C1 1540854097 GTSZNIXMOYJLHV-INIZCTEOSA-N 446.020 4.546 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(CC)CC2)C1 1540885755 OTGBXDSHVOFENP-MRXNPFEDSA-N 449.368 4.818 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(C)OCCc2sccc21 1541109097 AVENYGOPRVVETK-OYHNWAKOSA-N 441.988 4.744 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C(\C)CN1CCOCC1)c1ccc(C)c(C)c1 1543114969 DRXLXXWENNOTQE-HEHNFIMWSA-N 434.580 4.680 30 10 IJEE COC(=O)[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1ccccc1F 1544565450 FTLGJLCGVXNKIU-OAQYLSRUSA-N 438.842 4.787 30 10 IJEE COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1556072971 FVIGJWYNADGGHZ-JOCHJYFZSA-N 428.488 4.645 30 10 IJEE C#CCN(C(=O)/C=C/c1cc(Br)c(O)c(OC)c1)[C@@H]1CCCc2ccccc21 1558542464 JUBNRVYUAZVVEB-YVNCXZRQSA-N 440.337 4.716 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2c3ccccc3CC[C@@H]2C)cc1OC 1560330889 CQWOGPXAAGXGSI-KRWDZBQOSA-N 445.401 4.953 30 10 IJEE C#C[C@@H](NCc1cccc(F)c1I)c1ccc(Br)cc1 1560854432 HEGUGDCMWISRSQ-OAHLLOKOSA-N 444.085 4.657 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1C#N 1567814360 HJYICIMOIWPDIK-CQSZACIVSA-N 446.498 4.580 30 10 IJEE CC(=O)c1cccc(O[C@@H](C)C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 1585000490 DTFWLRBCCRHZJO-VIFPVBQESA-N 438.295 4.975 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sc(-c2ccc(C)cc2Br)nc1C 1586232175 OAWAWVVRZDONNO-PBHICJAKSA-N 435.387 4.900 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)c1nccs1 1587587012 WGZXPNQWJNCSHG-CABCVRRESA-N 444.402 4.734 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1589394519 IBLQOKPVIAJBRX-DNVCBOLYSA-N 449.368 4.950 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1589395738 ZIIIDLLKQFAUPN-APWZRJJASA-N 449.393 4.591 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1593775677 BYWCYBLPHAQPGR-UHFFFAOYSA-N 442.567 4.821 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1593914084 AFTRXASFPTUKQY-NRFANRHFSA-N 430.980 4.622 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1593915259 XIVJXHWQWOAVLA-UHFFFAOYSA-N 438.746 4.948 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCCC[C@@H]2C)CC1 1594241527 TVDGNEITRSEFGV-IBGZPJMESA-N 443.586 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3ccccc3C)C2)nnc1[C@]1(OCC)CCOC1 1594529816 YWRKMDODUBROEB-LVXARBLLSA-N 438.616 4.835 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1594599973 DJXSTXMPDZXUJH-UHFFFAOYSA-N 430.556 4.559 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1594646052 SOSVRMGTDBZUJN-FQEVSTJZSA-N 437.613 4.993 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F 1595099623 FUZUHUDJRSQUJF-RTWAWAEBSA-N 441.526 4.672 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1595109162 URRGOESBOHEEKP-LJQANCHMSA-N 435.538 4.652 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H](C(C)C)N1CCCC1 1595115144 FDFZXEHHHYZLJP-DNQXCXABSA-N 437.632 4.833 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)C1CCC2(CC1)OCCO2 1595434494 BEDNFLAMXJUOIM-UHFFFAOYSA-N 440.588 4.597 30 10 IJEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1595446918 AWRNXYXQTFMPJE-UHFFFAOYSA-N 432.515 4.848 30 10 IJEE CC(C)(C)CCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C#N)C1 1597362657 FNWLMIBLAYMNLE-SFHVURJKSA-N 427.618 4.831 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cc3ccccc3nc2O)cc1OC 1621109790 PWQDKNUIHLNOFS-UHFFFAOYSA-N 429.314 4.566 30 10 IJEE C#CCOc1cccc(NC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c1 1623086291 CZTXGIDHJJVNDS-MHZLTWQESA-N 426.516 4.567 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1 1624043577 LDBKLAVANNMHSL-UHFFFAOYSA-N 441.329 4.580 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)c1ccccc1 1629366781 JBTRYYNUUQUDRP-DHIUTWEWSA-N 426.582 4.559 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 1634513349 DZLLOOSEDAOEMW-GOSISDBHSA-N 425.342 4.542 30 10 IJEE C=CCONC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1636770400 JBGBUFDBSOWQHK-XMMPIXPASA-N 428.488 4.500 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC(C)(C)NC(=O)OC(C)(C)C 1637678821 UIMKGJMKIUABOJ-UHFFFAOYSA-N 427.339 4.646 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)c(F)c1 1643806546 VDJKVZUYSMEMNL-UHFFFAOYSA-N 446.935 4.875 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1652321822 FGEPCSKHRJWXKJ-JOCHJYFZSA-N 443.385 4.950 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 1652554619 GDPJWHIZZXVLOV-XZOQPEGZSA-N 433.939 4.988 30 10 IJEE CCC1(CC)CN(S(=O)(=O)c2ccc(C#N)s2)c2ccc(Br)cc21 1654504240 BOOLBVLKZPTJIH-UHFFFAOYSA-N 425.373 4.649 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(O[C@@H]3CCOC3)cc2)cc1OC 1655671601 MYRYGSJTSOXLNU-GOSISDBHSA-N 434.330 4.802 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 1657931401 MDZVIMHKZGKIBX-IRXDYDNUSA-N 431.577 4.973 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)[C@@H]1CCCc2ccccc21 1658242825 NUFOOVKDRFXREV-JOCHJYFZSA-N 431.536 4.757 30 10 IJEE CC(C)Oc1ccc(CC[C@H](C)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 1659634860 CGLVSOZUPSBXBF-HNNXBMFYSA-N 440.487 4.664 30 10 IJEE CC(C)(NC(=O)Nc1ccc(Br)c(C#N)n1)c1ccccc1Br 1663862310 ALEFUITVMUGUBW-UHFFFAOYSA-N 438.123 4.535 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1665343872 OMOOQHYRIKWVCF-UHFFFAOYSA-N 434.587 4.544 30 10 IJEE Cc1ccccc1[C@@H](CO)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1666208931 BGUZWJKMRDLDKT-RUZDIDTESA-N 429.520 4.837 30 10 IJEE C=CCCCCCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 1666414115 ZYOYYBOKJNPOGG-UHFFFAOYSA-N 427.998 4.773 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cc(Br)ccc2N2CCCC2)cc1 1667766921 MABPSDWHGSHQOF-UHFFFAOYSA-N 430.346 4.936 30 10 IJEE C#CCOc1cccc(NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C(C)C)c1 1669079662 YIWFULJAUKEXGF-QFIPXVFZSA-N 432.520 4.534 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1)c1ccc(Br)cc1 1670926897 YDYHVVUJCAZDEM-OAHLLOKOSA-N 439.668 4.524 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(c4cccc(Cl)c4)CC3)CC2)c1 1674054982 DNFGOOVQUYAOKE-UHFFFAOYSA-N 436.987 4.765 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1)C(C)C 1674145609 MVNDHLOCWLRWMT-DEOSSOPVSA-N 425.617 4.606 30 10 IJEE C#C[C@H](NC(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1)c1ccc(Cl)cc1F 1682367545 PHJUYPKUMQCBRQ-NRFANRHFSA-N 448.897 4.841 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1)c1ccc(Br)cc1 1683508618 WVIFKJRZRYCFPM-LSDHHAIUSA-N 439.762 4.621 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1683841478 SQHAFXKAOBFALF-VWLOTQADSA-N 425.532 4.782 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC1(c2cc(Br)ccc2OC)CC1 1686762552 VWLQQFWOSJRAKS-SFHVURJKSA-N 429.358 4.933 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(Br)cc(F)c2C1)c1ccc(Cl)cc1F 1686922686 NNCIKGPAORZRDY-SFHVURJKSA-N 439.687 4.823 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1C(C)C 1690248617 OUCBAIXAJRNSCE-HYVJGQCMSA-N 430.543 4.753 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)CC[C@@H]1C 1690254169 YGVZYPKVBIGDSB-XWQURZDVSA-N 428.552 4.602 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C)c1ccccc1 1690447513 QREGPSUJCAFIIG-NFBKMPQASA-N 432.616 4.738 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1690482882 CIPXPXOAGLNZBL-VQTJNVASSA-N 448.514 4.665 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCn2ccnc21 1690535060 VLGDFIZRIHQJEW-INIZCTEOSA-N 428.993 4.620 30 10 IJEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)C1 1696388215 DHWIKPZBJLRSHD-OALUTQOASA-N 429.515 4.505 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC1 1705696442 NWTUXUBNHXLQCI-UYAOXDASSA-N 445.405 4.843 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1705745727 GMRAIAVQZIEWRS-VQIMIIECSA-N 437.009 4.825 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705782942 MSGKLNOZFBUPKX-QUCCMNQESA-N 445.652 4.915 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1705797153 QTQRIEKCWTZRDH-QUCCMNQESA-N 444.505 4.817 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]1C1CCC1 1705812949 QEWPOXIIZSSAFH-LJQANCHMSA-N 426.561 4.706 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1705845255 MCXCMLJHDQFYFR-IFMALSPDSA-N 435.641 4.853 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCOC[C@H]1C 1705865375 LABZPCVKWXGTHX-UYAOXDASSA-N 438.597 4.880 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705887587 OQYMVMXDDSEAQM-OKILXGFUSA-N 425.321 4.930 30 10 IJEE CSc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)cc1 1712768307 HORCGRVNJWTKEK-NRFANRHFSA-N 425.602 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCCC[C@@H]1C 1722283039 QDUAJADHTOJFGR-MOPGFXCFSA-N 444.023 4.720 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H](OCC)C(C)C 1722379425 HYWOBJMEAJHERE-PZJWPPBQSA-N 438.641 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(OC)CCCCC1 1722498909 AWDRPDNHYSUQFS-UHFFFAOYSA-N 439.604 4.899 30 10 IJEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F 1722534116 JSNHYZKCPXMAMR-UHFFFAOYSA-N 445.489 4.512 30 10 IJEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1722550197 GOOACSUDTXBUTF-UHFFFAOYSA-N 448.398 4.694 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@](C)(O)CCC(C)C)CC1 1722569766 NXZBAXJRLMJYDA-RUZDIDTESA-N 426.605 4.763 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1722588272 OSGBMEYDISQFLY-UHFFFAOYSA-N 439.604 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1722588649 CMYGAIGYTQBSQK-HXUWFJFHSA-N 436.604 4.948 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)c1ccccc1 1722593920 CKKDXBZYAXKGIH-KIFXHHALSA-N 448.615 4.946 30 10 IJEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)C1CCCCC1 1722600374 NWXAZCPXXVCFDN-IBGZPJMESA-N 448.615 4.953 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C 1722607085 MDLVATTWZLSNKQ-HNNXBMFYSA-N 449.393 4.686 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1c(C)cc(C)cc1C 1722644522 FAGNIHWUWMAAOL-BGYRXZFFSA-N 439.604 4.645 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCc1nc(C)c(C)s1 1722658447 WVVNHLHPWMHTQU-UHFFFAOYSA-N 432.597 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCCS1 1722667968 SGXUZANFAGJNIU-HXUWFJFHSA-N 425.602 4.611 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CC(C)C)C1 1722708358 QRBPPOOIGXSRKH-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1C 1722734888 LAGGDZAUWRYBPL-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1)N1CCc2ccccc2C1 1727264542 GHDWMWPBLWAXMY-WNCULLNHSA-N 448.659 4.834 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1730355288 HDTZRYJLWDBJJT-BHIYHBOVSA-N 427.618 4.829 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1CCC(F)(F)CC1 1740548825 IMLVOYXOECANEO-MRXNPFEDSA-N 425.483 4.884 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1740567014 FRWCAHNNXRJARZ-JOCHJYFZSA-N 448.640 4.797 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CC(F)(F)CO1 1740663618 NOIADOFSVUJWKM-CYBMUJFWSA-N 436.915 4.697 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCCN1C[C@H](C)C[C@@H](C)C1 1740676018 NSKGTDGNVLZAFG-NHCUHLMSSA-N 439.623 4.723 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](SC)C(C)(C)C 1740733655 IVCQPTTWIIBUFC-HYBUGGRVSA-N 426.630 4.935 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)C[C@@H](C)C1 1740748305 CYCZNJKSUCYGFM-HZPDHXFCSA-N 449.393 4.647 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N[C@H](C)c2ccccc2)CC1 1740839112 AXMTWQYMGKJYQG-OAQYLSRUSA-N 444.627 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1740849717 UUYDNGAALVXQNK-UHFFFAOYSA-N 429.568 4.866 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740859131 GLDVTYOBIWVCRN-UHFFFAOYSA-N 425.577 4.795 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740870247 KRKBWCPACNHRGL-LJQANCHMSA-N 432.515 4.766 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1oc(CCC)nc1C 1740894535 XNWOQBVFWAXLGC-UHFFFAOYSA-N 430.350 4.627 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCC[C@H](O)C1 1740914345 PRCIMXBGWRXBKV-GOTSBHOMSA-N 438.616 4.763 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC[C@@H](COC)C1 1740999089 ZIOSOMXWTFYMND-MRXNPFEDSA-N 439.000 4.910 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)c1cccs1 1748921084 XMENRNPBVYNLQH-UHFFFAOYSA-N 430.581 4.630 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N1CCCCC1 1749058364 GASITWDZQNNFCR-HHHXNRCGSA-N 447.627 4.637 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 1749115265 ONUCKUOFWANPFM-BRWVUGGUSA-N 425.415 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCCOCCOC)CC1 1749293148 CTNNTLSXNHXZRQ-UHFFFAOYSA-N 444.645 4.875 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCc1nc(C(C)(C)C)cs1 1749528703 YRDBWPRTRFRLLW-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)c1ccccc1 1749554388 SAEVOGXEFZLXFD-IRLDBZIGSA-N 438.597 4.814 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CCCCC1 1750075333 DDWLSXYDBWPWPV-GOSISDBHSA-N 444.624 4.569 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)n1 1751602868 CCBHJIGNZVLJHK-UHFFFAOYSA-N 437.551 4.529 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1(COC)CCC1 1760103470 GKUVKNNSNMJAPG-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1760145617 ROQRMULORQHIAU-VXKWHMMOSA-N 446.599 4.566 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(-c2ccsc2)nc1 1760199432 YTIVJXYXLYCRHS-UHFFFAOYSA-N 437.572 4.752 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCS1 1760289432 ORCYSQPKERDSTM-XWFZLUIHSA-N 431.005 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)CC 1760333926 IIRJZVCXQSXAQU-JTAQYXEDSA-N 434.588 4.594 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(CC(C)C)c2C)CC1 1760392603 WTBUIANWMNEHFR-UHFFFAOYSA-N 434.588 4.531 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(F)F)c(OCC)c1 1760458763 SLMSCOLZCGEMDF-UHFFFAOYSA-N 449.889 4.664 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1sccc1Br 1760468904 MSSXUMIAICENNJ-CZUORRHYSA-N 439.423 4.691 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760532720 CNORFOCEEAJPHN-OAQYLSRUSA-N 448.615 4.727 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2(F)CCC2)C1 1760539551 QJHVAXNTPABXTD-GOSISDBHSA-N 436.478 4.610 30 10 IJEE CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1762517053 GPYPMTRVXJIDGC-SFHVURJKSA-N 438.370 4.791 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1 1764656109 GCFVFIFKFRKSST-YXKFXFPPSA-N 448.340 4.519 30 10 IJEE COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3C)nc2cc1OC 1858204870 YAGPXTYEHHCPNR-UHFFFAOYSA-N 427.913 4.816 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862394803 KGKINODVINGRMC-XMMPIXPASA-N 445.563 4.650 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccccc1C(=O)O)c1ccccc1Cl 1862434177 TVSXAHHQGBCWSN-LJQANCHMSA-N 425.868 4.559 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)c1 1862447178 KKJPHWVGHWTTCY-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc2cc[nH]c2c1 1862463926 MJFPLWIIKHXCAH-FQEVSTJZSA-N 428.410 4.964 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(F)c2)cc1 1862473702 FQPDFZCUDQTGGM-HSZRJFAPSA-N 431.463 4.791 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862478973 VPEBTUSLQWOFJL-QHCPKHFHSA-N 428.488 4.567 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)ccc1F 1862507361 JLGAXBWLYXLTON-QHCPKHFHSA-N 449.453 4.800 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 1862524994 RVEIHLHQYMKGQF-GOSISDBHSA-N 432.289 4.823 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(F)cc2F)c1 1862560663 KTSJWDLOZFZYLM-QHCPKHFHSA-N 448.469 4.942 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(O)c1 1862597437 KKPGHCRPHFOKLQ-LJQANCHMSA-N 443.377 4.783 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862690586 BXKZCCBELDJGDC-JOCHJYFZSA-N 448.544 4.601 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(F)c1 1862748937 MKTDYKUXWAXMDF-HXUWFJFHSA-N 426.444 4.893 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 1862758338 DYASEPABLKZBIO-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3F)C2=O)cc1C 1862881647 UCROZMKGBOKGNF-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CCOc1ccccc1NC1=C(c2cc(C)ccc2C)C(=O)N(c2cccc(C#N)c2)C1=O 1863030395 AXMITZYYLJVTMZ-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccc(C(C)(C)C)cc1 1865125891 VYVSCOSRDSJYIZ-OAQYLSRUSA-N 448.611 4.565 30 10 IJEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc(C)cc2)[nH]1 1870001586 KPLYHGXWYSJCQZ-UHFFFAOYSA-N 429.568 4.726 30 10 IJEE CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(C#N)nnn1-c1cccc(C(C)(C)C)c1 1870145299 VRKRTDIPKYNMMP-KRWDZBQOSA-N 431.540 4.966 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1Cc1cccnc1 1870489695 PCMRIVSKMXOUSI-UHFFFAOYSA-N 429.564 4.661 30 10 IJEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CN(CCC)CCC 1870767114 UOIIRQFEOVPPAP-UHFFFAOYSA-N 436.552 4.650 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c2C)C1=O 1871374676 VYJGKHNZOKCUQK-XKZIYDEJSA-N 445.427 4.676 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871906412 BDMLZRNKQAUGLQ-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1)S(C)(=O)=O 1872150717 WNUGSUIBDPCXOS-XMMPIXPASA-N 449.576 4.948 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(F)cc1 1872434867 VZTAXSRUGPFDHO-HXUWFJFHSA-N 438.952 4.772 30 10 IJEE CCCCCCCCN1C[C@@H](C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)CC1=O 1873005939 XJDBODKLHFLHOE-NZQKXSOJSA-N 438.616 4.836 30 10 IJEE CCc1sc(C2=C(N)N(c3cc(C)ccc3C)CC2=O)nc1-c1ccc(OC)c(OC)c1 1873529441 DRZASVQELIQACX-UHFFFAOYSA-N 449.576 4.723 30 10 IJEE CC(=O)N1[C@@H](c2ccccc2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)Nc1cccc(C#N)c1 1873866400 GBEYQOORGIIVLR-RSXGOPAZSA-N 434.499 4.541 30 10 IJEE Cc1ccsc1/C=N/n1c(CCc2cccc3ccccc23)nnc1SCCCO 1874233786 BFIIXLAIPDSSPW-LFVJCYFKSA-N 436.606 4.943 30 10 IJEE Cc1ccccc1CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc[nH]1 1874260072 GQDAKAHHKUIBAW-RPPGKUMJSA-N 439.491 4.946 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc2ccccc12 1874277376 QZVNZIMKNPEKFM-KWXFCVSUSA-N 435.597 4.930 30 10 IJEE COc1cc(/C=N/n2c(CCCOc3ccccc3)nnc2SC)ccc1OC(C)C 1874315238 JIORTLCNWKZILB-LFVJCYFKSA-N 440.569 4.690 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(F)(F)F)c(OC)c1 1874460778 GEMMYZGYSDBEDG-YSURURNPSA-N 440.422 4.628 30 10 IJEE CCCOc1c(Br)cc(/C=N/n2c(CCC)nnc2SCC)cc1OC 1874506629 MJSIMLLFBVDSLU-UDWIEESQSA-N 441.395 4.785 30 10 IJEE CCOc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)ccc1OC(=O)COCCOC 1875170440 YBHBWLFRCFOYCP-CSKARUKUSA-N 440.536 4.783 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Br)s3)cc21 1890341708 GHPQFJJOFFWBSK-UHFFFAOYSA-N 435.343 4.701 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12C[C@@H]1[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C 1906026926 SHZZAUHOJCAVGZ-IOCWQACJSA-N 426.601 4.916 30 10 IJEE C=CCC1(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924550272 CQRYXJIULAGGIQ-IBGZPJMESA-N 437.625 4.711 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2002711951 QUYKKWXFGJCSFG-WIOPSUGQSA-N 434.621 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C)O1 2004943855 GHLFSDCRYLSYNI-YPIGPJMWSA-N 432.605 4.588 30 10 IJEE CC#CCCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2018316662 JKOOJHYGSQUPIC-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)c(O)c1)c1cc2ccccc2o1 2033814473 UUYKDNMXDSHWBK-NRFANRHFSA-N 447.468 4.684 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)C12CCC(CNC(=O)OC(C)(C)C)(CC1)OC2 2039975434 BUXHTHAHGLIEOF-IKJWCUOUSA-N 444.616 4.592 30 10 IJEE CNCc1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079241127 YMAYQDOQTGFMGN-UHFFFAOYSA-N 434.153 4.590 30 10 IJEE N#Cc1c(C(F)F)nn(-c2cc(Br)cc(C(F)(F)F)n2)c1Br 2080311934 UMCOSMCECPWUID-UHFFFAOYSA-N 445.971 4.620 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2163701231 ZORYYARCIJETNS-ZWKOTPCHSA-N 428.349 4.808 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2ccc(C#N)c(Br)c2)(C(F)(F)F)C1 2167669572 CUUIZWIGMIMYDM-QGZVFWFLSA-N 448.283 4.922 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC[C@H](C#N)CC2)cc1NC(=O)OC(C)(C)C 2181047561 PBLQRZHFIHFKTA-AWEZNQCLSA-N 436.350 4.870 30 10 IJEE CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc1Cl 2181053765 OYUPDHBGYQBWSM-NSHDSACASA-N 426.222 4.915 30 10 IJEE C=C([C@@H](N)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221677725 MRALNGPUACAYQN-IAGOWNOFSA-N 427.459 4.646 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)c(F)c1 2243904745 GGRJCGQUBNPVPH-UHFFFAOYSA-N 443.478 4.953 30 10 IJEE CCCN[C@@H](C#CC1CCCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2260978718 APEHDVXRWBFFEF-DQEYMECFSA-N 441.660 4.964 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CN(Cc2ccccc2)C2(CCC2)C1 2261828793 VQYSULBBWVXJJY-HHHXNRCGSA-N 435.564 4.818 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1 2267015629 QTNCGGPOYHZPIY-LJQANCHMSA-N 437.389 4.681 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2268795702 XFORFEDPQUYRFV-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE N[C@@H](C#Cc1cccc(Br)c1)c1cc(Cl)ccc1I 2278729052 YWWPXROPKYJNJH-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CN(CC1CCCC1)C(=O)OC(C)(C)C 2288038529 VDZNWOBLTWWOJW-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@H](O)C#CC1CCCCC1 2289620247 QFAMTFPYXSJHTP-WOJBJXKFSA-N 436.390 4.830 30 10 IJEE C[Si](C)(C)C#CC[C@H](OCCCN)c1scc(Br)c1Br 2294480604 AMJDTWHMXLOMOW-LBPRGKRZSA-N 439.289 4.951 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2296218170 BHKRBNGKWBCONP-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)F 2296230458 UCGLCISZIQIQCW-UZLBHIALSA-N 445.348 4.575 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296269125 MCNWKJXGXXMARL-CVEARBPZSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@@H](C)CN1C(=O)OC(C)(C)C 2296284752 UKSGDZMXMLJDLO-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CCC1 2296291618 QNNBDQCIDUSSLE-WOJBJXKFSA-N 435.406 4.720 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@](C)(NC(=O)OC(C)(C)C)C1CCC1 2296303547 XOHIUSBJNHENOW-SIKLNZKXSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC[C@H]1CCN1C(=O)OC(C)(C)C 2296309435 VTTAXWPNKBUVSK-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CCS[C@H](C)C[C@H]1CC(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)[C@H]1C(=O)OC 2297624152 KGOWJVJUFBNYEV-SOZUMNATSA-N 444.380 4.768 30 10 IJEE C#C[C@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC(C)(C)C[C@H]1OCc1ccccc1 2300080714 RIQZIVNLROPJCC-GJZUVCINSA-N 426.601 4.707 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(C)C 2305319133 KFUXRBLANLBUJQ-SQJMNOBHSA-N 430.589 4.801 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317345377 VAWSCJCTJGSRGP-SFHVURJKSA-N 430.354 4.505 30 10 IJEE N#Cc1sccc1COCc1cc(I)ccc1Br 2318983234 VCZGSLQUDBBRMA-UHFFFAOYSA-N 434.096 4.704 30 10 IJEE CCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2321048332 IGYBTKMHIVUJBD-GOSISDBHSA-N 449.624 4.990 30 10 IJEE Cc1cc(OCCCc2nnc(S)n2N=Cc2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 2322286400 ZSPDZAUPQAMAHA-UHFFFAOYSA-N 445.932 4.639 30 10 IJEE O=C(C=Cc1cc(Br)cc(Br)c1OCCCO)c1ccccc1 2322545609 QZEHGOJNRMFLON-UHFFFAOYSA-N 440.131 4.869 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1OC 2323034374 YPPAXVDTIHFQBW-UHFFFAOYSA-N 443.666 4.596 30 10 IJEE CCCCCOc1ccc(C=NNc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)cc1 2323231042 GXBXHEJYWLZMLY-UHFFFAOYSA-N 440.931 4.910 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccccn2)C3=O)c1 2323921326 HXTJHJHTHGSBNN-UHFFFAOYSA-N 429.428 4.623 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1OC(=Cc1cccc(F)c1)C2=O 2324091034 OHRJUXMASARRCG-UHFFFAOYSA-N 432.495 4.916 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1cccc(Br)c1 2325165014 OZFALJNYFGVCEI-UHFFFAOYSA-N 440.249 4.676 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OC(=O)c1ccc(OC(C)=O)cc1 2325723034 QLLPBCJWWVEMME-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1cccnc1 2325817472 GSYCVZOSFACDKM-UHFFFAOYSA-N 425.558 4.552 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2326094634 XCEVDHDQVYCNGB-UHFFFAOYSA-N 431.905 4.640 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2N=Cc2ccc(Cl)c(Cl)c2)o1 2326863079 ONUQBEKPMUZABS-UHFFFAOYSA-N 439.324 4.918 30 10 IJEE Cc1ccc(C=Nn2c(Cc3ccc(C)cc3)nnc2SCC(=O)OCC(C)C)cc1 2330024569 CFBGKENCIPUDEA-UHFFFAOYSA-N 436.581 4.659 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc([C@@H](C)c3ccccc3)n2N=Cc2ccc[nH]2)c1 2330066970 ZFOUVAMTONHVRQ-SFHVURJKSA-N 444.564 4.679 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(Cl)cc1Cl 2330276099 PHUATPUZHZHLFH-UHFFFAOYSA-N 441.384 4.855 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cccc(OC)c2)cc1[N+](=O)[O-] 2330794114 BVCRWUQMMZNTLY-UHFFFAOYSA-N 427.453 4.994 30 10 IJEE Cc1ccc(CSc2nnc([C@H]3CCCO3)n2N=Cc2cc(Cl)ccc2O)cc1 2330889266 LBLYNCPDNJSXMQ-LJQANCHMSA-N 428.945 4.972 30 10 IJEE CN[C@H](C#Cc1cnn(C)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2340449771 RCCHZEGDUWMOTC-AREMUKBSSA-N 437.543 4.890 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10333688 JVKOAIMDPBZCHB-UHFFFAOYSA-N 432.545 5.000 30 10 IJEE COc1ccc(NC(=O)COc2ccc(/C=C3\Cc4ccccc4C3=O)cc2OC)cc1 12539925 DRLZJCXIMDUCCG-CPNJWEJPSA-N 429.472 4.544 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1)Nc1ccccc1Cl 21077921 JEWYFHJNJMSBMR-SRZZPIQSSA-N 435.340 4.678 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)c1 35420846 DIXBXSZACKQURB-GMGKOPGTSA-N 432.501 4.724 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(O)c(OCC)c1 40077769 NYTILSNLJKLWAJ-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccco3)C4=O)C2)cc1OC 41587442 YPXYGWYXQMUZCJ-JJFYIABZSA-N 433.460 4.574 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2CCCO2)C4)cc1 62993097 ITMYYBHNTOZODI-ZJVWCJDDSA-N 448.563 4.788 30 10 IJEE CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccc(C(=O)OC)c2)cc1 100278059 VJNFYXWQBXIVGW-UHFFFAOYSA-N 428.554 4.949 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)cc1 103104525 VYDNCOOIQQCEHC-FEYWKWKCSA-N 446.478 4.631 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCC(C)CC2)C1=O 169979143 LZWJWOAMQRVSHC-UHFFFAOYSA-N 427.545 4.767 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)[C@@H]1c1cccs1 169982245 XHMWSDIHHWCWRR-JOCHJYFZSA-N 448.544 4.914 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1 169983671 YLVWHASHRRUSRL-LJQANCHMSA-N 427.428 4.818 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccncc2)cc1 170019772 DPANQDKNJZLUQV-HSZRJFAPSA-N 439.471 4.745 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1F 170072032 UOSMRAVSJWBKKT-HXUWFJFHSA-N 431.891 4.873 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2sccc2C)c1 170105278 NXFGQOGOZRUZMS-QGZVFWFLSA-N 440.546 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccs2)cc1Cl 170157282 CAMUKAKMYXOKSZ-IBGZPJMESA-N 441.892 4.899 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccn2)ccc1OC(C)C 170171440 AXBVBIWXFAIPOM-QHCPKHFHSA-N 444.487 4.666 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@H]1c1cccnc1 170187605 FPCSMCPQBZTKPR-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)c(C)c1 170190263 GBLPIYXBZBZMRD-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccncc2)c1 170206172 LSEPMAMRSKGXRU-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC)cc1 170215881 JTWQVKFGTKFLQV-NRFANRHFSA-N 427.472 4.611 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccccc2)c1 170221590 COKVWUMYXLARGB-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1Cl 170230990 CFBVISSFXOSRRK-NRFANRHFSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccccc1)c1cccc(Cl)c1 170234603 ZKTOUKXFSNDBEF-FQEVSTJZSA-N 429.863 4.999 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccc(O)c2)cc1 170259647 HJVLVFSBDZNYGK-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2C)ccc1F 170278100 ZLQWKIBGRVGKAF-JOCHJYFZSA-N 425.500 4.836 30 10 IJEE Cc1c(N=Cc2c(O)ccc3cc(Br)ccc23)c(=O)n(-c2ccccc2)n1C 252426796 LCINCOZXSVEFDR-UHFFFAOYSA-N 436.309 4.856 30 10 IJEE Cc1ccccc1N=C1SCc2ccccc2N1C(=O)c1ccc(S(C)(=O)=O)cc1 254576744 AKCSRFAORRZEQF-UHFFFAOYSA-N 436.558 4.980 30 10 IJEE ON=C1C[C@H]2N[C@@H](c3ccccc3OCCOCCOc3ccccc32)[C@@H]1c1ccccc1 254821985 VKKWQGOIAYICRL-XCRWMPKNSA-N 444.531 4.864 30 10 IJEE CC(=NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(NC(=O)C(C)(C)C)c1 263628395 OZFIWPPZCJBNBF-UHFFFAOYSA-N 442.368 4.681 30 10 IJEE N#Cc1cc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)nc2ccc([N+](=O)[O-])cc12 301426169 UDNRCYFAZKODJR-HNNXBMFYSA-N 444.426 4.588 30 10 IJEE N#CCCCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 385379489 NNYREMDCZLEGNC-QFIPXVFZSA-N 438.549 4.795 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2F)OC1(C)C 404971657 QGAFDZGBPMPKFV-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 502777039 KYFCBZWAFZRVHO-HNNXBMFYSA-N 434.477 4.576 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 512424078 NIWXIZKMWUQOMC-NZQKXSOJSA-N 436.556 4.593 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccccc1F 514357803 ARJXVABCLVVXOM-OAHLLOKOSA-N 440.569 4.890 30 10 IJEE COc1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c(OC)c1 526523323 XBKZRYJJSCOPSN-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1c(F)cccc1Cl 526828004 RVSUEIPHZMYJLA-KSEXSDGBSA-N 432.908 4.594 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1cccc(C#N)c1 610366704 RPSJDIALHANMTO-VBKZILBWSA-N 432.351 4.887 30 10 IJEE O=C(c1ccc(O)c(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 681123287 BMLGLIJZNAKFSZ-INIZCTEOSA-N 437.311 4.783 30 10 IJEE N#Cc1ccsc1NC(=O)COC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730645318 JLHABANAMJDQEM-LJQANCHMSA-N 444.871 4.714 30 10 IJEE CCC(CC)c1cc[n+](/C(C(=S)NCc2ccon2)=C(/O)c2ccc(C#N)cc2)cc1 762437643 BRONDXDMMFKDFX-UHFFFAOYSA-O 433.557 4.738 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CCCN1C(=O)OC(C)(C)C 786316944 BWFBPHIVYXSCAR-KZULUSFZSA-N 433.496 4.685 30 10 IJEE COc1cccc(N=C2S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)c1 1084196130 DMJRNAJNWYZKDC-INIZCTEOSA-N 438.336 4.592 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccc(C)o3)n2)cc1 1084393642 ZRUWCCLCJFAVQE-CQSZACIVSA-N 426.546 4.787 30 10 IJEE Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1129974285 FKQOUYQMHKZDLE-HNNXBMFYSA-N 430.405 4.893 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2c(Cl)cccc2C(F)(F)F)CC1 1135982355 HWICZLHIUDMFOS-QGZVFWFLSA-N 425.813 4.521 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Br)cc1Cl 1136460590 HVYGPFSAXQPGGR-MRXNPFEDSA-N 445.785 4.968 30 10 IJEE COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 1147517855 HVHMODJQODAMBR-XXBNENTESA-N 437.971 4.670 30 10 IJEE CC(C)CC(=O)N1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 1152423436 BXODDHIFBZLXKS-UHFFFAOYSA-N 439.943 4.725 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2Cc3ccc(C#N)cc3C2)cc1OCC 1179419180 HZCGRDLLPYHPIC-IBGZPJMESA-N 427.342 4.541 30 10 IJEE N#Cc1cc(NC(=O)NC2CCN(Cc3ccncc3)CC2)ccc1Oc1ccccc1 1203838704 DKCSMLRHUPYCEF-UHFFFAOYSA-N 427.508 4.532 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Nc2cccc(Br)c2)CC1)c1ccc(F)cc1 1230477899 BQUWFNLIJFVVNW-HXUWFJFHSA-N 430.321 4.549 30 10 IJEE CCOc1ccc(CCC2CCN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CC2)cc1 1264320389 BRYCXDNWFGBXIV-SANMLTNESA-N 431.580 4.797 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)Cc2ccccc2S(=O)(=O)C(F)F)cc1 1264521589 FKLQPDGDWRIPDI-HXUWFJFHSA-N 440.471 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1286276704 YWBQNQZHIVSTTK-NXMSCROESA-N 445.558 4.515 30 10 IJEE C=C(Cn1c(N2C[C@H](C(=O)NCCCC)CC[C@H]2C)nnc1C(C)(C)C)c1ccccc1 1286619772 VZYLVPRNAWTDBC-IFMALSPDSA-N 437.632 4.810 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1286640298 IGUNGZZUXFMZLR-DFBJGRDBSA-N 442.604 4.694 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1286653952 BNJXIKQSEPEOLF-HSZRJFAPSA-N 432.616 4.587 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CC(F)(F)CO1)C1CC1 1286732137 KQQDVHZUFWMMHV-PKOBYXMFSA-N 432.515 4.614 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)N1CCCCC1)C1CC1 1286735549 DOVSOPIOVTYTIW-UHFFFAOYSA-N 429.559 4.566 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(OC)c(Cl)c1 1286759231 MQJINNRBFHALRB-UHFFFAOYSA-N 429.977 4.523 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1286825672 NVEYTHVKKOCHKK-GASCZTMLSA-N 440.585 4.796 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)S[C@@H](C)C1 1286830746 PZIUVCGMODBNCP-IRXDYDNUSA-N 441.626 4.850 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)(F)C1 1286832525 UWUAQBXBQAWCAJ-UHFFFAOYSA-N 426.964 4.923 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1 1289587266 SCPYCLBKASZIJA-SSEXGKCCSA-N 426.538 4.791 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cccs2)n1 1290007254 FAFLUHVFNRHTCA-UHFFFAOYSA-N 428.565 4.851 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1cc(C)oc1C 1300609566 RRQHLDLYGPTSNI-JOCHJYFZSA-N 447.366 4.829 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC1CC(C)(C)C1 1300650614 WBTBLMKJKSMMFF-UHFFFAOYSA-N 437.588 4.849 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccco1 1300742449 JEVADVFKXYGMRA-UHFFFAOYSA-N 445.386 4.612 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@H](C)C1CCC1 1300850704 BDWGOMRFSZEYTJ-MRXNPFEDSA-N 433.394 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cnn2ccccc12 1300900174 NBQDKBPKACAGKG-SFHVURJKSA-N 434.519 4.656 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1300963019 JXUUOWQJSMXNTH-NRFANRHFSA-N 441.595 4.521 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1301104937 BVOJALRQLGUUQA-GOSISDBHSA-N 429.609 4.761 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](C)N(CC)CC)CC1 1301120470 SAFYDAMMOFNZSI-LJQANCHMSA-N 434.588 4.733 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1301129188 MDUYWDHJECDFGT-UHFFFAOYSA-N 433.503 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCn1cccn1 1301144108 VYSFRUPFNSLTBB-UHFFFAOYSA-N 428.968 4.542 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1301174919 WNGGPUGBJHPYBF-IRLDBZIGSA-N 441.595 4.978 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1301196694 HWAUNPXYPXGVRL-FQEVSTJZSA-N 442.007 4.987 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc23)c1 1301291516 MLJQUNYDCPPUTK-MHZLTWQESA-N 445.584 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@@H](CC)N1CCCC1 1301357885 TUGPISHOFYWAJU-LJQANCHMSA-N 425.602 4.975 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1Cc1nnc(C(C)(C)C)s1 1301403563 LHINTDIFLOPANC-UHFFFAOYSA-N 444.555 4.523 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCO[C@H](C)C1 1301620530 GYBQBVSFVIVEIG-MRXNPFEDSA-N 439.050 4.758 30 10 IJEE C=CCCC[C@H](NC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1303115080 FHGDUYXGHXOICO-FQEVSTJZSA-N 441.572 4.746 30 10 IJEE C[C@]1(Cn2c(CSc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)CCCO1 1303992104 IAQOCNWJVLFGCS-JOCHJYFZSA-N 446.020 4.923 30 10 IJEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCC)CCC2)C1 1306781562 ANNCLUCVECODLD-QFIPXVFZSA-N 434.632 4.955 30 10 IJEE CCOc1cc(Br)c(NC(=O)NCc2ccc(C#N)c(F)c2)cc1OCC 1310186015 CIILSFAHKXHTSI-UHFFFAOYSA-N 436.281 4.579 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccccc1 1312936090 FXOVOHJQYCRGSW-LEWJYISDSA-N 440.469 4.809 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nc(C(C)C)cs1 1315603470 FNCWCFGJSZWMAD-QHCPKHFHSA-N 436.585 4.712 30 10 IJEE Cn1c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc2cc(Br)cnc21 1350585186 BTVBCVVGDSYJHB-UHFFFAOYSA-N 448.280 4.647 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ccccc1Br 1351081548 ZVUQRWQTIBQPIP-UHFFFAOYSA-N 433.298 4.511 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(F)cc1Br 1354629885 FJUBJRCYROFTEA-OAHLLOKOSA-N 428.302 4.504 30 10 IJEE Cc1nc(NC(=O)COc2ccc(C#N)cc2)sc1Cc1cccc(Br)c1 1355151339 AYMQWISFXAWMAH-UHFFFAOYSA-N 442.338 4.694 30 10 IJEE Cc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2=O)cc1C 1356135051 HUMRTTOSWHVMRI-FQEVSTJZSA-N 426.520 4.574 30 10 IJEE CC(C)[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccc(C(F)(F)F)c1 1358199823 CWDGRTAWOKRIEM-UTKZUKDTSA-N 430.426 4.870 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1cccnc1Oc1cccc(F)c1 1359012352 IKSDIFOANFPORR-UHFFFAOYSA-N 433.531 4.845 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1359120616 MNWPTEXNXUVSHE-UXHICEINSA-N 448.615 4.534 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@H](C)C1 1359260295 ZDTBMMQOXKKQBM-WOJBJXKFSA-N 437.563 4.821 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCS2)C1 1359325462 FZYJAWPDWMFBSY-AZUAARDMSA-N 430.643 4.556 30 10 IJEE C#CCOc1ccc(NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C(C)C)nc32)cc1 1360374430 ZOCSBSFYOQRXIK-UHFFFAOYSA-N 430.430 4.533 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 1442750370 CKQKSSPNUVLPSH-UHFFFAOYSA-N 439.556 4.660 30 10 IJEE C=CCn1c(S[C@@H]2CCCN(c3cc(C)ccc3F)C2=O)nnc1-c1cccs1 1458993549 IFUXGBZVEDFVCO-GOSISDBHSA-N 428.558 4.928 30 10 IJEE N#Cc1ccc(CCNC(=O)c2cccc(OCc3ccccc3Br)c2)cc1 1461527119 BMNGVDSCCKLJFH-UHFFFAOYSA-N 435.321 4.872 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1c(-n2cccc2)sc2c1CCSC2)C(C)C 1464867612 CDCIIJAIDWXVCZ-IBGZPJMESA-N 429.655 4.757 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CC[C@@]4(CCCCN4C(=O)OC(C)(C)C)C3)cc2n1 1467352051 HWJQRHVHQHMXFX-DEOSSOPVSA-N 439.560 4.620 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)c3ccccc3)CC2)c(Cl)c1 1467576259 GUPGNWVDINADRT-UHFFFAOYSA-N 444.966 4.567 30 10 IJEE CC(C)Cc1ccc([C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 1468449886 BRKCLIWGAZZSMY-JWQCQUIFSA-N 444.579 4.703 30 10 IJEE C#C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Br)cc1 1468451324 PSHTWZNIMTUGJF-IRXDYDNUSA-N 437.378 4.569 30 10 IJEE N#Cc1c(NC(=O)CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)sc2c1CCCCC2 1473144101 IFXZIQILDNMULX-LJQANCHMSA-N 447.963 4.693 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC(CC)(CC)c1ccc(OC)c(OC)c1 1476223387 QZUHJPNWRQPXIK-UHFFFAOYSA-N 428.504 4.734 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)N1CCc2ccccc21 1476728644 IMKNUEKNOGFMBQ-OAHLLOKOSA-N 430.346 4.587 30 10 IJEE COCC1(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)C[C@@H](C)C#N)CCC1 1504630040 HVTPQCCXGYLNHF-IRXDYDNUSA-N 427.618 4.544 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@H]1C(C)C 1507524116 UTHIBKHROUKMEE-HQRMLTQVSA-N 445.405 4.535 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1507656518 XLUAWWYAOFCJEE-SFHVURJKSA-N 446.954 4.732 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1 1507698904 UETQUPNSMUKHPI-LJQANCHMSA-N 446.064 4.804 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H]1CCCN(C(C)C)C1 1507699296 DXDCQHAGJVVLJG-IRLDBZIGSA-N 425.596 4.691 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@H](C)C1 1507714046 HHLHVKCOYDBSMQ-SFTDATJTSA-N 438.616 4.677 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C1CC1 1507806297 MLQCCJYJFKBUSB-MBSDFSHPSA-N 445.007 4.831 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cnccc1OC 1507813880 CSBVFYDRBDKJFB-UHFFFAOYSA-N 448.390 4.623 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1cc(Cl)ccn1 1507840156 NPYJHJGFWSGNGW-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCOC[C@@H]2C)CC1 1507877506 JDNQTDJJPXIOES-JKSUJKDBSA-N 449.368 4.676 30 10 IJEE C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1507982264 LURDOCUBWVHSNV-URXFXBBRSA-N 435.641 4.830 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC[C@H](OC)C(F)(F)F 1507998234 OAIRGUXKVOFDAJ-SFHVURJKSA-N 440.510 4.744 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)C1 1508124792 CCFSCRBWJJBBES-OALUTQOASA-N 449.020 4.574 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)C#N)cc1 1510832429 CKPOAQZHDCHUEJ-CKUXNOBLSA-N 444.583 4.721 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1512624726 BQYZIRADLJFDFA-HSZRJFAPSA-N 429.540 4.619 30 10 IJEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(Oc4ccc(Cl)cc4)c3)C2=O)cc1 1515370638 FAXQVIDOGUEDQD-QHCPKHFHSA-N 445.906 4.929 30 10 IJEE C=CCc1ccc(OCC(=O)NCC(C)(C)c2ccccc2Br)c(OC)c1 1519910433 PLASKYPSTYJNSV-UHFFFAOYSA-N 432.358 4.659 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2cccnc2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1522166056 LCDVSIJUILNZAN-XMMPIXPASA-N 430.504 4.677 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1528518198 AUNINNUAXOHPTM-GHTZIAJQSA-N 433.581 4.673 30 10 IJEE Cc1ccc(-n2c(NC(=O)c3cccc(C#N)n3)nc3cc(Br)ccc32)cc1 1530783453 BQGHKFWXSWDKGS-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 1530834379 KTTJNFUTIKIEKD-RUZDIDTESA-N 437.543 4.808 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)c(OC)c1 1533581177 MUYKPVHILSGKOQ-GOSISDBHSA-N 430.342 4.581 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](CC)Cc2cn(C)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1534485814 JBIWLDNXZDZWQN-FNZWTVRRSA-N 439.600 4.961 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)CC1 1537357373 SYBPCTXNJLOYOF-XEZZBHEQSA-N 444.575 4.796 30 10 IJEE CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(Cl)cc1F 1538176576 AVVVFQKQBOMCBN-SZNDQCEHSA-N 448.325 4.871 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1csc(C)c1 1538983123 NRUSWKFZAMPGFF-ZDUSSCGKSA-N 445.386 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1cc(F)ccc1F 1538984295 FUVXIHMHEAXIBV-NSHDSACASA-N 437.313 4.554 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1539052903 JYDFKLBNPBORMW-SFHVURJKSA-N 440.567 4.525 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(F)(F)Br 1539350342 IIEAASIUYQRJKA-GFCCVEGCSA-N 443.361 4.579 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOCCCC 1539538185 DXIPRSQWSBUGBO-FDDCHVKYSA-N 430.980 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cccc(Br)c2)nnc1C(C)(C)C 1539640099 DPFWOWHSQZURPD-HKUYNNGSSA-N 447.421 4.956 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1539783039 LSJLYHFANUYZTL-RHSMWYFYSA-N 442.734 4.626 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1539811083 AQBUFMVOTAGUMM-FQEVSTJZSA-N 428.989 4.521 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1539836185 NMXWAAHQYPZTRO-UHFFFAOYSA-N 428.540 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[C@@H](OCC)C(C)C)CC1 1539885048 VCZCQXUCTRFDGP-XMMPIXPASA-N 448.615 4.984 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 1540119872 LQQKBEKAVPYQJQ-QMMLZNLJSA-N 430.342 4.667 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@@](C)(CC)O1 1540122812 ZVFVUFHPHHXPHF-SQJMNOBHSA-N 430.556 4.685 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC(C)(C)C)nc1 1540133695 NNUKCHIFPOLKDB-JOCHJYFZSA-N 447.583 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nnc2n1CCCCC2 1540158168 BDIRJPRYAZVYFE-UHFFFAOYSA-N 445.615 4.787 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCS1 1540187931 YEPOIPUFDJYIPL-HXUWFJFHSA-N 426.561 4.732 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1540919857 YHTJTBCMUZGIJN-OAQYLSRUSA-N 440.638 4.897 30 10 IJEE C[C@@H](Oc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1)c1ccccc1 1543118204 BCXVLJMBVPIRGV-OAQYLSRUSA-N 427.548 4.902 30 10 IJEE N#Cc1c(F)cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1F 1544972579 ATISHQHPLCOUCY-JOCHJYFZSA-N 440.833 4.780 30 10 IJEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCC)CCC2)C1 1546808435 GFEHGMHVMRVIDL-JOCHJYFZSA-N 448.615 4.672 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)C2CCCCC2)C1 1547169973 HAFPHXUATJHZDR-UNMCSNQZSA-N 434.632 4.954 30 10 IJEE CCSc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)c1 1552488193 FMJFYWAVGPNQBM-NRFANRHFSA-N 425.602 4.810 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC)c2ccc(Cl)c(Cl)c2)c1 1561175381 MLFLIADIVZAYMM-IBGZPJMESA-N 441.380 4.729 30 10 IJEE C=CCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1562071015 ZXNVTWUMNQVIJW-RYLXDESZSA-N 433.618 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 1562423761 UIQCFHZDARVNKN-YOEHRIQHSA-N 425.476 4.855 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1)c1ccc(Cl)cc1 1564997842 PMZHAVSVFMTYKA-NRFANRHFSA-N 427.335 4.813 30 10 IJEE C#C[C@H](NC(=O)[C@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1569920953 YZWVNTBGAXSISW-KOSHJBKYSA-N 432.564 4.715 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1nc(C)c(C)s1 1587561114 BCRDJCDAUNXDGV-ZBFHGGJFSA-N 444.004 4.845 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 1587600863 HLZHJVCOERTZLG-UHFFFAOYSA-N 432.911 4.798 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCCC1 1587898568 SBICTRAHNOYTAF-FQEVSTJZSA-N 429.609 4.923 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1589053843 VSRLRHSRNFGFCT-UHFFFAOYSA-N 432.380 4.692 30 10 IJEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](c2nc3ccccc3s2)C1 1589078630 USJYKAJFCFJMBS-SFHVURJKSA-N 439.654 4.837 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)[C@@H](C)CC 1589615016 ISUOFXJBPIYOFS-LIRRHRJNSA-N 441.439 4.969 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1594559119 FDMJUFANPFBPNQ-OAQYLSRUSA-N 435.572 4.543 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1sc(C)nc1C 1594992642 NINFWXSKQDBCRB-UHFFFAOYSA-N 446.020 4.995 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(CC(C)C)C1 1595108910 OKYBTFNXDWTSRJ-HSZRJFAPSA-N 432.616 4.834 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCSC1 1595850383 MBIYITKYPBUDKZ-GFCCVEGCSA-N 445.477 4.630 30 10 IJEE N#Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)ccc1Br 1595885068 AIIUTSZYFFOCOZ-UHFFFAOYSA-N 435.203 4.778 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CSCN3C(=O)c3ccc(C(C)(C)C)cc3)cc2n1 1611184589 KRCGOLCSNUKCTK-QFIPXVFZSA-N 448.592 4.674 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1612916414 AFCLEOMFLHYDOB-UDKICSLYSA-N 439.629 4.598 30 10 IJEE C=CCN1/C(=N/c2c(C)n(C)n(-c3ccccc3)c2=O)S[CH][C@H]1c1cccc([N+](=O)[O-])c1 1615006954 BJMQQYHIYRCRBX-NVWMPKGRSA-N 448.528 4.518 30 10 IJEE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N/N=C/c2cccs2)N1Cc1ccco1 1615301694 ZCOLXRQOLVETJK-FCKSWFEOSA-N 438.490 4.756 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2O)CCCN1C(=O)OC(C)(C)C 1616377339 LIDVZBATFZAXRA-IBGZPJMESA-N 430.423 4.575 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 1617967164 OUZKHRUJUCCAHS-ZHRRBRCNSA-N 425.916 4.597 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)c1ccc(Cl)cc1F 1622941179 DUQQGXVFYTVZCF-OAQYLSRUSA-N 427.907 4.847 30 10 IJEE CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](COC)Cc1ccccc1 1622983423 FXXMPYOUMVAYLS-QFIPXVFZSA-N 430.508 4.857 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1623831636 KABAXCORFCMLQZ-KRWDZBQOSA-N 431.467 4.973 30 10 IJEE C=CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1625196709 HHBULIRTPDDKKI-QHCPKHFHSA-N 426.582 4.689 30 10 IJEE C=CC(C)(C)CCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1625507477 HQEMDEQXXWCFCQ-UHFFFAOYSA-N 447.428 4.503 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 1625538317 GVQHKAOHFIJEMK-GOSISDBHSA-N 448.361 4.874 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1625569857 GSGSRKKFJZKODQ-HBMCJLEFSA-N 444.959 4.613 30 10 IJEE C=CC1(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)CN(C(=O)OC(C)(C)C)C1 1626420413 LJHBOPRBOCHLDF-UHFFFAOYSA-N 435.568 4.732 30 10 IJEE Cc1c(C#N)cccc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1628894944 GOJXFOQOITWTAF-UHFFFAOYSA-N 431.486 4.692 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 1631026200 JKMQJXYVDKPNJD-QUCCMNQESA-N 432.561 4.823 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C)c1ccccc1 1632272087 SCZUMGKTZRTZMU-VWLOTQADSA-N 448.588 4.911 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2cnc(O)c3ccccc23)cc1 1638524305 DGRCJZQZMXIRGK-UHFFFAOYSA-N 440.478 4.863 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O 1640684302 VYZFJRLYHKVRNW-INIZCTEOSA-N 434.970 4.921 30 10 IJEE CCCOc1ccc(NC(=O)NC(=O)CSc2ccc(C#N)c(C)c2)cc1OCCC 1641222474 FHHYDFSRBVDIIX-UHFFFAOYSA-N 441.553 4.885 30 10 IJEE C=CCn1c(SCCCNC(=O)C(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 1643416874 JKEUFGHIMUTTNK-UHFFFAOYSA-N 426.508 4.589 30 10 IJEE CC(C)[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCN1C(=O)OC(C)(C)C 1650972781 IERFWNANZJLYEL-JOCHJYFZSA-N 437.588 4.566 30 10 IJEE C=C(C)COc1cc(CNC[C@@](O)(c2ccccc2Cl)C(F)(F)F)ccc1OC 1651714252 BLDODVIJJUHIHF-HXUWFJFHSA-N 429.866 4.843 30 10 IJEE Cc1cc(Oc2ccc(CN(CCC#N)CCN3CCOCC3)c(Cl)c2)ccc1F 1657176992 HMKWHFLGHFIAJD-UHFFFAOYSA-N 431.939 4.628 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 1658961828 BOOFMZBMBCXQQI-UHFFFAOYSA-N 432.427 4.828 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)C1CCOCC1 1662729309 BHIUWXXQGXKDTQ-FQEVSTJZSA-N 425.941 4.913 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccc(F)cc1OC(F)F 1663183496 FDTDOLXJWBDKTD-QMMMGPOBSA-N 431.329 4.625 30 10 IJEE C=CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)[C@H](C)COC 1671089306 UQDIPYLXNVJBGC-CYBMUJFWSA-N 438.475 4.679 30 10 IJEE C#C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)C1 1676572754 WIHLXVZAKDLICT-DENIHFKCSA-N 445.563 4.762 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1680284861 VSYWBNRJKNEDBL-JWWIWJDOSA-N 435.515 4.669 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1680822959 DNIDKYZEEJJDDI-IERDGZPVSA-N 429.351 4.821 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)[C@H]1CCCc2ccccc21 1682889090 KOLUNBHYFOYURR-CYFREDJKSA-N 431.536 4.817 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCO[C@H]1CCCC[C@H]1C 1689831274 IIEDEOQXVIDLCR-WWEVIYMKSA-N 431.584 4.855 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 1690115673 OVUVQLVBLDVJNI-GOSISDBHSA-N 447.961 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCC1CCOCC1 1690207830 NGHARPOUXIVLCU-XMMPIXPASA-N 426.992 4.721 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690277065 AHUSXKMKSPULFE-QGZVFWFLSA-N 437.357 4.674 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCOCCC(C)C)CC1 1690369272 DWAJDAHOXIHMJJ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCCc2ccc(OC)c(OCC)c2)CC1 1690408477 KZOIBVOWLWXTDN-UHFFFAOYSA-N 449.599 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(CC)C1 1690428054 BXOAISNHXXWBHB-AREMUKBSSA-N 448.615 4.904 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H](SC)C(C)(C)C 1690560344 SLIDTDQJYMQWHS-OAQYLSRUSA-N 447.612 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)CCCC1 1690583287 FVJPAFMIRCFIIO-UHFFFAOYSA-N 427.980 4.620 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCO[C@H](C)C1 1690605837 ZIVIZGRPMLUGHC-MSOLQXFVSA-N 441.963 4.637 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cc(Cl)ccn1 1690630952 BQGWGDQJTHRQOQ-UHFFFAOYSA-N 436.716 4.718 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CSCCS2)C1 1692850869 BMTTUOABQPKUER-WIYYLYMNSA-N 448.061 4.501 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1693640987 AZRXSZWELLUTOZ-YLJYHZDGSA-N 429.515 4.648 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](c4ccco4)C3)n2CCCC(F)(F)F)cc1 1698488247 AGPFMHILPOFGAV-QGZVFWFLSA-N 445.445 4.658 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]2CCC[C@H]21 1705532133 GWOHXCRDZIYTLJ-NJDAHSKKSA-N 441.620 4.575 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2cccs2)N(C)C)CC1 1705782951 NBWHGVDXZCWHGV-JOCHJYFZSA-N 435.641 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H]1CCCOC1 1705786160 HSBBVHIPXYBFTN-LJQANCHMSA-N 434.588 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1705792909 GDZDITZEKNYRTB-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H]1CCCSC1 1705860614 UHYJLDPWVDFUQS-OAQYLSRUSA-N 430.581 4.548 30 10 IJEE C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1)c1ccc(F)cc1 1706811880 DPFGAXNIQPKGRV-MTNREXPMSA-N 439.579 4.879 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCOC)Cc1ccco1 1709240536 FHEAXUXUYFKMAO-IRLDBZIGSA-N 433.556 4.889 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1ccc(Cl)s1 1722347364 HLWNJNUJXBAQQS-UHFFFAOYSA-N 444.988 4.768 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC2(CC2)C1 1722451370 JMBQSHIKWAECPL-KRWDZBQOSA-N 431.005 4.818 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1F 1722504918 PQQAUGGKUOZCSQ-XUZZJYLKSA-N 426.580 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1nnc(C(C)(C)C)s1 1722512478 DEZBPXVGGPZVGN-UHFFFAOYSA-N 426.590 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)c1cccs1 1722515443 RYKRWONFZUBLLK-DEOSSOPVSA-N 435.597 4.722 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCO[C@@H]1CCCC[C@@H]1C 1722518329 ZSBBCTYSQSSKAL-MZKRTTBSSA-N 440.588 4.788 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1722579267 MGAIZTVYBKPDMR-JOCHJYFZSA-N 426.605 4.937 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1722581965 IIDRCLOLUYMUPE-JOCHJYFZSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](CC)C1 1722583955 AGUHSKHNRYROGH-QGZVFWFLSA-N 428.577 4.810 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722602102 POZUJFLPHWYEKY-YZZKKUAISA-N 430.980 4.728 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cscn1 1722610462 AKHPVXRTQVBLPG-UHFFFAOYSA-N 436.354 4.906 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@H]1CC 1722617396 JJRDHGSOKUENOX-VAMGGRTRSA-N 431.625 4.984 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nccn1C(F)F)C1CC1 1722647010 OTFCFBYWVKGVKB-CQSZACIVSA-N 448.905 4.866 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)CC)n1C[C@H]1N(C)CCCC1(C)C 1722655027 BVYAXENMVNLURL-NZQKXSOJSA-N 434.632 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCCC1 1722663322 VLWIOOSYVDDKLG-UHFFFAOYSA-N 438.597 4.725 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N1CCC(C)CC1 1722669247 BZNGYAQWNQBWSW-OAQYLSRUSA-N 432.616 4.736 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCc3cc(OC)ccc32)C1 1722719618 XJMYMSIFYZMASC-IRLDBZIGSA-N 438.616 4.777 30 10 IJEE CC[C@H](C)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1)OC 1726846096 GQTOYHLBULKQEO-OPNQQPSUSA-N 443.567 4.748 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1ccco1)N1CCCCC1 1740540228 ILGYUQZMGLYJRG-NZQKXSOJSA-N 431.584 4.786 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740567723 VJBHGHZTMWYNIO-PBEJRMEISA-N 445.007 4.699 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](COCC)C1 1740581846 HFUIWPPACNASRS-OALUTQOASA-N 426.630 4.798 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCN1CCCC[C@@H]1CC 1740676098 RCWUMARGWHHLDM-QFIPXVFZSA-N 425.596 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCSC1 1740724426 CBAJBBMOBAVBLC-YZZKKUAISA-N 428.577 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)C1CCCC1 1740755924 MLZJGBKSXIGIPK-MBSDFSHPSA-N 440.588 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(F)(F)F)c1 1740776777 ZSTLFLLAKJSVSI-UHFFFAOYSA-N 432.494 4.609 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2oc(CC)nc2C)CC1 1740825443 VRSGQMPLDXSXGO-QGZVFWFLSA-N 425.508 4.621 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1740861534 QHENGTDJPUUCDL-DEOSSOPVSA-N 430.600 4.797 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 1740866613 JFXDGDSXEUWRHN-UHFFFAOYSA-N 448.036 4.685 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1CCN(CCC)CC1)C1CC1 1740912287 YWPIOUCYVRYIJU-UHFFFAOYSA-N 428.024 4.799 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCCc1cccc(C)n1 1740919038 TXOQTYBMCWIBNV-UHFFFAOYSA-N 426.568 4.812 30 10 IJEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)CCCO1 1742009869 DNQGLKKVVWCSED-OAQYLSRUSA-N 433.478 4.555 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)CC#N)s1 1742225572 GRBXWBWAIPKZKJ-NSHDSACASA-N 436.404 4.926 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1ncc(C)s1 1743837379 ABYBXVIJHGWEFI-IAGOWNOFSA-N 438.601 4.780 30 10 IJEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](SC)C(C)(C)C)C1 1746964485 BGGOVWRGXHDBIF-PMACEKPBSA-N 427.618 4.600 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CC)CC1 1748873230 NTCVIEKKCSMQFX-UHFFFAOYSA-N 425.374 4.669 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1748930584 RIHPOBUPHHFGSU-OYRHEFFESA-N 442.051 4.740 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1749119915 YHSKPQRTTOJSPN-RMRNXIRCSA-N 443.680 4.864 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)CC1 1749311256 KLSNPWHZTXWVBO-UHFFFAOYSA-N 448.036 4.543 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)CC1 1749343889 UKNPFWYVKOZYBV-UHFFFAOYSA-N 427.474 4.733 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC2(CCCC2)C1 1749414193 ASZDPUHSWXXHTN-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1749419820 QUCCWGYJTUPGFE-SFHVURJKSA-N 430.478 4.968 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)c2ccccn2)C1 1749701123 PMXWAAXMYSBKSL-FQEVSTJZSA-N 437.975 4.753 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCCS1 1760119658 CAJBOYCRPIFDDL-UYAOXDASSA-N 447.048 4.995 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760130866 NBXKAVHNNCMLPB-GOTSBHOMSA-N 429.568 4.676 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(F)(F)F)C1 1760139662 KSCZTXOKIYOZDX-SFHVURJKSA-N 429.490 4.932 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760158083 JMJWJURQQFAPIJ-UGKGYDQZSA-N 436.581 4.607 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1760179545 ICJSXHNZRGEUTC-UTKZUKDTSA-N 433.021 4.744 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)OC 1760320808 ZZOWPSMSHYOHML-UZLBHIALSA-N 428.533 4.792 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(F)(F)F)CC1 1760335631 PBUHWRFPELJMPX-QYZOEREBSA-N 442.526 4.670 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)C(C)(C)C1)c1ccccc1 1760360574 GTWCFACRUGBHKW-IBGZPJMESA-N 430.556 4.511 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccnc(SCC)c2)CC1 1760391352 ZTSZQLLTBQTURG-UHFFFAOYSA-N 435.597 4.589 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCCCO1 1760407773 OARMBLVWMYNZMS-OAQYLSRUSA-N 439.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](Oc2ccccn2)C1 1760413436 IFSXUZQMCFDIED-FQEVSTJZSA-N 435.547 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1760413808 VMSJEZIEJLBPNR-RTBURBONSA-N 431.625 4.572 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2c(C)noc2C)C1 1760537382 MXRGOJNWEVQDKS-MRXNPFEDSA-N 448.354 4.686 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760559463 HRHGIOWQCACNSF-ZWKOTPCHSA-N 449.615 4.872 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1scnc1C 1760562736 UKJLKDJIBLEGHQ-UHFFFAOYSA-N 438.626 4.757 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)N1CCc2ccccc2C1 1763605806 FMYRGFBLFTWQNQ-FQEVSTJZSA-N 434.632 4.759 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)[C@H]2C)CCC(C)CC1 1769782021 GGBADPFIUCZKKL-RAOJWKPXSA-N 437.588 4.559 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1cccc(O)c1 1772718452 JCXXXFJACBHGHB-QGZVFWFLSA-N 449.454 4.557 30 10 IJEE COc1cc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3C)nc2cc1OC 1858204857 WXCKKSCGMKOYQP-UHFFFAOYSA-N 427.913 4.816 30 10 IJEE C=CCN(CC=C)C(=O)Oc1ccc(CNC(=O)/C=C/c2ccc(OCCC)cc2)cc1 1858873675 HYSBUOPTHVRECL-LFIBNONCSA-N 434.536 4.978 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4ccccc4F)CC3)cc2)c1 1860669652 IMWIBRNIUQUVMN-UHFFFAOYSA-N 426.447 4.846 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1cccc(F)c1 1862383564 VDZFSYTZTBYQHY-GOSISDBHSA-N 438.282 4.747 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1ccc(F)cc1F 1862411814 PQYVRZKCLVWTIP-IBGZPJMESA-N 429.419 4.944 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1862434470 ZRPPSMCBCWPILV-IBGZPJMESA-N 427.884 4.807 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862445831 FAGFLYUIKJWVIN-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862477469 XRNGUKWQAGZFJR-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(O)cc1 1862489574 COLOFMWWMKADBS-XMMPIXPASA-N 443.499 4.796 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Br)ccc2F)cc1 1862541766 SHPWYJDNSZJXCB-IBGZPJMESA-N 444.300 4.891 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC(C)C)cc1 1862543672 MANOIUYJMRTJEZ-DEOSSOPVSA-N 433.548 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 1862611491 MUEPVXLRZSCLES-LJQANCHMSA-N 446.286 4.505 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862670730 AXHDYCFJMJFXHR-FQEVSTJZSA-N 441.911 4.942 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862703079 QPVMLYQSKWBARL-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1863476830 DODOSQIDHUNZRU-UHFFFAOYSA-N 438.512 4.536 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OC)cc2)C(=O)N(CCCOC(C)C)C1=O 1863667749 AZMXWBYTRUWNBG-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccc(C)cc1 1864249706 KRGKUDXCPNCFAM-JOCHJYFZSA-N 438.616 4.988 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCCCCC1 1870330666 LWMFMOUEBFNAQM-UHFFFAOYSA-N 434.621 4.917 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(Cl)c2)cn1Cc1ccncc1 1870407415 YYIKWVQRJPWWSV-UHFFFAOYSA-N 435.955 4.698 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872423461 SBVZDCRRGGMJGT-HXUWFJFHSA-N 438.952 4.628 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872456965 OCOLFYQEQMPKFD-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3Cl)cs2)cc(OC)c1OC 1872764857 ZYSKCGOXKRUROD-AWEZNQCLSA-N 428.897 4.979 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(N(CC)CC)cc2C)[nH]1 1873470070 WZDCEVCWHPQRAK-UHFFFAOYSA-N 427.556 4.734 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1/N=C/c1ccc2cc[nH]c2c1 1873502234 GVMSRYOAUAIHCZ-VULFUBBASA-N 446.580 4.978 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(NCc3ccccc3)ncnc21 1873608976 SMXJAXLSNXRCSQ-UHFFFAOYSA-N 426.524 4.548 30 10 IJEE CCCOc1c(/C=N/n2c(COc3ccc(C)c(C)c3)nnc2SC)cccc1OC 1874319028 WREKDXYTEQWNEB-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccc(C)cc3)n2/N=C/c2ccccc2)o1 1874388696 AAIKYNUDOKOQRU-MFKUBSTISA-N 446.532 4.731 30 10 IJEE CCCOC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCCC)cc1 1874425115 SCEJXWROIQOVHF-HYARGMPZSA-N 444.582 4.723 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(F)cc1 1874429661 VJURIGYEVQNAKN-PCLIKHOPSA-N 439.560 4.707 30 10 IJEE C[C@H](NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1)c1ccccc1 1874441089 IHIOIXLOHSBXFI-LEBHPONQSA-N 435.597 4.718 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(O)cc2)c1 1874454811 VZWNALZJKABAIA-AFUMVMLFSA-N 449.580 4.871 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccco2)c1 1874464231 YHZNDJZHUIVJDG-BUVRLJJBSA-N 447.520 4.550 30 10 IJEE C=CCSc1nnc(COC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874502397 FVPDXAFHEVTJIY-YDZHTSKRSA-N 428.945 4.817 30 10 IJEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 1874602023 QAWPAQVDZQTZMT-NKAIQICCSA-N 430.460 4.747 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OCCCO 1874628576 KRFZULNGNMHDGB-AATRIKPKSA-N 441.307 4.677 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1 1874697562 DEAMGWHQEKTUCY-VZUCSPMQSA-N 442.467 4.957 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1875115577 KNPSDNVWXVVEHH-VQHVLOKHSA-N 430.254 4.959 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1 1875180475 ULPLXNMHJKVETG-CYXJOQHWSA-N 445.855 4.546 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)cc1 1879743339 LVQOJDWZRCADFO-OSPHWJPCSA-N 442.365 4.732 30 10 IJEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1 1890505480 BANXNWIAFBJXJG-UHFFFAOYSA-N 430.892 4.922 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](Cc2ccc(F)cc2Br)NCC)C1 1892684562 OBZQQDUULWOSQF-KRWDZBQOSA-N 427.358 4.722 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)c1ccc(F)cc1Br 1922074609 OTCVXLBQLJTQRH-FGZHOGPDSA-N 436.365 4.937 30 10 IJEE CN[C@@](C#N)(CCN(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccccc1 2034754022 XVYLEGHGPVXGDP-MUUNZHRXSA-N 426.608 4.649 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 2038661368 IOXHLDZMQUFMSB-CLJLJLNGSA-N 439.600 4.884 30 10 IJEE C#CC[C@H](C[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C1CC1 2076090274 AZLWANSYDCEZNA-FKCDAAJZSA-N 439.644 4.574 30 10 IJEE CCc1nn([C@@H](c2ccc(C)c(F)c2F)C2(C)CC2)c(I)c1C#N 2079854348 JLLYXLNFUGIISI-INIZCTEOSA-N 441.263 4.898 30 10 IJEE Cc1sc([C@H](C#N)C(=O)CSc2nccn2C)nc1-c1ccc(Br)cc1 2084270806 KCJSPWUCUMGCDF-CQSZACIVSA-N 447.383 4.583 30 10 IJEE Cc1cc(Br)c(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)cc1Cl 2150492273 YNUGQJSUKDPPDF-UHFFFAOYSA-N 440.574 4.815 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNc2cccc(Br)c2C#N)C1 2163252857 DEVZHZIVMLPQOH-DGCLKSJQSA-N 448.283 4.778 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C(C)(C)C1 2180865296 KVAZHBHQGPVWHH-CQSZACIVSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CCCC1(C)C 2181105133 HYQIVCNOAPWVFV-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2cc(F)cc(Br)c2)NCC)C1 2183007134 XFGBXONAVANSOW-SFHVURJKSA-N 441.385 4.970 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 2187957472 CBYYBNLQDJQTFL-CYBMUJFWSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Nc1ccc(C#N)c(Br)c1F)C2 2193302943 MQMLHCQQBYTUGR-ATVPRXPUSA-N 442.304 4.750 30 10 IJEE C=C[C@@H](C)C[C@@H](NN)c1sc(Br)c(Br)c1Br 2212190508 YLIVMRSWPXKLPJ-PHDIDXHHSA-N 433.007 4.752 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2235728412 MHIMVGQLXKFURQ-VQTJNVASSA-N 431.374 4.558 30 10 IJEE C#CC[C@H](C)C[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248473743 KXRQYYHMXIUXPO-GMAHTHKFSA-N 428.617 4.858 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2266755434 BRWPNPKGVLLNLO-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)ccc1B1OC(C)(C)C(C)(C)O1 2267232645 UYTSYPYCQZLCFR-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)c1 2269067534 SBWRGFXSWFJBGC-UHFFFAOYSA-N 444.312 4.968 30 10 IJEE C=CCOc1ccc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1OC 2294082113 CCXDADPSYBWPMX-UHFFFAOYSA-N 433.504 4.754 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)CC1CC1 2296218645 GITABNKNROJYIM-ICSRJNTNSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@@H](O)C#Cc1cccc(Br)c1)c1ccccc1 2296218792 IDIMLIFDRUCZFI-VQTJNVASSA-N 430.342 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](O)C#Cc2cccc(Br)c2)C12CCCC2 2296218923 JLEVFHVLHKBABH-RBUKOAKNSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](C(=O)C#Cc3cccc(Br)c3)C[C@@H]21 2296220246 WFBXHHSFLJALRV-SCTDSRPQSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](O)(C#Cc2cccc(Br)c2)CC12CCCCC2 2296225132 RIJXXEBCMVEVKW-JOCHJYFZSA-N 434.374 4.875 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@H](O)C#Cc2ccc(Br)cc2)cn1 2296288086 CBTKLTWQBMJBGC-GOSISDBHSA-N 431.330 4.691 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(NC(=O)OC(C)(C)C)cn1 2296310941 PRGNTKGBLDQBNO-SFHVURJKSA-N 430.346 4.893 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1C 2296567619 ZOGNAWSSXYUINL-FQEVSTJZSA-N 438.867 4.580 30 10 IJEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccs2)cc1 2296926581 VGOGAANWEATFLC-SFHVURJKSA-N 440.546 4.846 30 10 IJEE C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1ccc2c(c1)OCCO2 2297624321 OMTPQHZOXVYEKB-UHFFFAOYSA-N 437.546 4.618 30 10 IJEE O=c1cnnc(SCc2ccccc2F)n1N=Cc1cccc(OCc2ccccc2)c1 2321647285 FPUGYQKXKDHQAF-UHFFFAOYSA-N 446.507 4.531 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2COc2ccc(Cl)cc2)ccc1OC(C)C 2322145530 IUTYQQJWVBLQEV-UHFFFAOYSA-N 446.960 4.867 30 10 IJEE CCc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1 2322371020 CMIBWHGAOIQDMW-UHFFFAOYSA-N 429.516 4.849 30 10 IJEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(OC)c(C)c1C 2322815648 HHRKTVCZNHEIKG-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1)NCc1ccco1 2323652002 CPXVMJHHDJRSAB-UHFFFAOYSA-N 440.293 4.633 30 10 IJEE COc1ccc(OC)c(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)c1 2324583887 MLUDKKJCQVZZBC-SFHVURJKSA-N 435.461 4.625 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)Nc4c(F)cccc4F)ccc3C2=O)cc1 2325506620 YCAJALFYEBATJG-UHFFFAOYSA-N 437.398 4.607 30 10 IJEE Cc1ccc(NC(=O)C(=O)C=Cc2ccc(F)c(Br)c2)cc1Br 2325610275 OQLHYHNXGISDEG-UHFFFAOYSA-N 441.094 4.880 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)CCOc1ccccc1 2325675175 LDCHJVSSLLYUPT-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1N=Cc1ccc([N+](=O)[O-])cc1 2325882496 JNUKRTLYRZKNSC-UHFFFAOYSA-N 447.520 4.955 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1cccs1 2328106704 ASASIJWBEUMPTQ-UHFFFAOYSA-N 449.001 4.706 30 10 IJEE COc1cccc(C=CC(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)c1 2329336437 GPIUEZRIGUHMSU-UHFFFAOYSA-N 427.460 4.507 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2ccc(Cl)cc2Cl)cc1 2330024570 CWBAVILTNHSGFH-UHFFFAOYSA-N 435.380 4.841 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cc(OC)cc(OC)c3)c(OC)c2)c1 2330800146 WGVRZTRSXBNYBT-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585218 LYPYZWIUTPUURM-DEOSSOPVSA-N 444.381 4.895 30 10 IJEE N#Cc1ccc(OCc2cc(I)ccc2Br)c(F)c1 2341778565 IMBADOOFNRXGOA-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE C#CCCN(Cc1ccc(I)c(Br)c1)CC(C)(C)C 2349826427 UVTISKCOICXVEQ-UHFFFAOYSA-N 434.159 4.925 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2358670784 BETUETVVGJZKCF-ONCXSQPRSA-N 433.390 4.567 30 10 IJEE CCN[C@H](C#Cc1nc(CC)cs1)c1sc(Cl)cc1I 2366655511 SWEXVZRQEBMJDX-LLVKDONJSA-N 436.771 4.727 30 10 IJEE CN(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1 17097642 UESIRWSWULFLLG-QFIPXVFZSA-N 431.565 4.658 30 10 IJEE CN/C(=N\c1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 59446441 ZBTHEYKYPPVSSY-HNNXBMFYSA-N 442.755 4.919 30 10 IJEE C=CCOc1ccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)cc1 66091165 CVWZWQGRYIEEDW-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE C=CCOc1ccccc1NC(=O)CNc1ccc(C(=O)N(CC)c2ccccc2)cc1 66092096 DTLHZIBGGOIYES-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccncc1 170018872 YAPUBASRFDGQLB-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2OC)[C@@H]1c1ccc(N(C)C)cc1 170129629 VSAPNERYDZILKT-QHCPKHFHSA-N 436.552 4.838 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)cc1)c1ccc(Br)cc1 170138381 LKLSNYOSSZLMDJ-LJQANCHMSA-N 442.309 4.676 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccs1)c1ccc2c(c1)CCCO2 170167089 AQLZATJBWNIJOE-QFIPXVFZSA-N 449.503 4.991 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1C 170251430 QZFQLRIPKIQIQE-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCN(C)C)cc1 170267510 UFFKSPOTXWKELQ-XMMPIXPASA-N 428.532 4.542 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170292670 ATHXQXAOGKXNRP-SFHVURJKSA-N 429.259 4.760 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2Cc2ccco2)o1 170307046 BOKBQOBSBGJJOA-QFIPXVFZSA-N 435.476 4.994 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C)o2)cc1C(C)C 170308415 WLVUDCOTYLXABZ-QFIPXVFZSA-N 441.524 4.725 30 10 IJEE CCc1nnc(N=C2S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)s1 252590399 ASPRAROVLNWSIJ-BYQOEDNLSA-N 435.578 4.975 30 10 IJEE COc1ccc2ccc(OC)c(/C=C3\SC(=Nc4cccc(C(=O)O)c4)N(C)C3=O)c2c1 254751430 DIVNGQWQAKVBII-RNUJJHFSSA-N 448.500 4.789 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCCCC[C@H]2C(=O)O)cc1OC 426743886 BKOAOPNGFOKTMR-WBVHZDCISA-N 426.351 4.536 30 10 IJEE Cn1cc([C@H](NC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)C(F)(F)F)cn1 446416951 ZXIJVURVAQDERO-ZDUSSCGKSA-N 446.298 4.508 30 10 IJEE CSc1nc(O)c(C(=O)NC(CCc2ccccc2)CCc2ccccc2)cc1C#N 475672394 OFTPXSFPGSFOTL-UHFFFAOYSA-N 431.561 4.745 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 508486818 DDIFXWJHDUFJMR-FQEVSTJZSA-N 437.613 4.715 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 549270887 UDEBIRGGOLLQQQ-UHFFFAOYSA-N 433.600 4.581 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1)c1ccncc1 734681784 ZDSSMPRNNWCCCC-QHAWAJNXSA-N 428.577 4.520 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(C)cc1C 742214759 KDLFPVGIRIHXTR-QFIPXVFZSA-N 444.560 4.549 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)ccc1OC 745820247 RTBMSSZAXCRQBC-DBVUQKKJSA-N 425.529 4.960 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 761092909 JSBOKFWHDPNEIJ-OAQYLSRUSA-N 449.551 4.900 30 10 IJEE COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2cccc(-c3ccc(C#N)s3)c2)c1 766107859 HMCSMQYYCKORFG-INIZCTEOSA-N 435.549 4.811 30 10 IJEE C=CCn1c(SCC(=O)c2ccc3c(c2)CCN3C(=O)CC)nnc1-c1ccc(C)cc1 768404586 XDCNEJQBIBZLPM-UHFFFAOYSA-N 446.576 4.714 30 10 IJEE COc1ccc(-c2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)nc(O)c2C#N)cc1 769661029 STGHZYMRCSRSCF-CYBMUJFWSA-N 431.477 4.633 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 804454534 RQOYYUYFZOIDIW-IBGZPJMESA-N 426.347 4.911 30 10 IJEE O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F 1088703320 WBEWNXLGYWODHX-PGGKNCGUSA-N 442.403 4.517 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2csc(Br)c2)CCCN1C(=O)OC(C)(C)C 1125329351 NRJNBPJEVXGTRR-IBGZPJMESA-N 443.407 4.815 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(NC(=O)OCCOC)c1 1125330916 YWIQDNLZLDGCDT-UHFFFAOYSA-N 438.402 4.717 30 10 IJEE C=CCC1(C(=O)Nc2cccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)c2)CCC1 1125639772 DUEIKWGGYSOJDN-UHFFFAOYSA-N 442.556 4.928 30 10 IJEE C#CCCCCC(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1128072632 UVGIFRBOXBTFGE-PKTZIBPZSA-N 426.601 4.945 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1129819050 GHCLPVWHFOVTGU-GGAORHGYSA-N 427.470 4.506 30 10 IJEE C=C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)c1ccccc1 1131131370 KZIGTXLJZNMNCD-QHCPKHFHSA-N 427.566 4.681 30 10 IJEE COC(=O)[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)Cc2ccccc21 1132042448 BGMNSJSKXPULDB-QFIPXVFZSA-N 428.513 4.622 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)n[nH]2)c1C 1136446324 DSKOECWIALRCMJ-UHFFFAOYSA-N 446.599 4.775 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C)C(=O)OC 1155467156 QDKHDTNOKHSGRA-HSZRJFAPSA-N 431.536 4.784 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 1165571599 SMHILCFEWVHGNK-AWEZNQCLSA-N 449.762 4.619 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1186901143 SCMMYSZOOSYIAV-UHFFFAOYSA-N 430.545 4.835 30 10 IJEE CC(=O)c1ccc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 1214807829 IASJPXGNFYAVMF-UHFFFAOYSA-N 427.504 4.898 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCC(=O)OC)c2ccccc12)[C@H]1CCCc2ccccc21 1215917919 DTXFPOHMOAJHQV-DEOSSOPVSA-N 442.515 4.936 30 10 IJEE CC(C)(C)N1CC[C@H](NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1=O 1219156880 FPISXSWNBROGMK-SFHVURJKSA-N 442.972 4.884 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC(C2CCCCC2)C2CCCCC2)C1 1225936627 FJBGCNFTVRTZTL-UXHICEINSA-N 432.609 4.574 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)CC1 1248406477 BFGHROPKBUXABS-MISYRCLQSA-N 433.390 4.640 30 10 IJEE CCOc1ccc(CCC2CCN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CC2)cc1 1264320388 BRYCXDNWFGBXIV-AREMUKBSSA-N 431.580 4.797 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)cc1OC 1277496595 ASGFCPZPZQTXOW-NTMALXAHSA-N 433.426 4.977 30 10 IJEE Cc1cc(C)c(C#N)c(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)n1 1278846100 FIZBNHPLFRVMNE-UHFFFAOYSA-N 433.821 4.739 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1286317133 JQFXNHNQWVLBKB-QFBILLFUSA-N 441.988 4.825 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1286559512 XEAMHCCVXIRTEK-XJUOHMSHSA-N 440.636 4.503 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CN3CCCCCC3)C2)nnc1C(C)(C)C 1286565202 YTCJIOBVYRVVIC-ZRBLBEILSA-N 443.680 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C)=C(Br)C1 1286673857 ZPUHLTPOXUJDIP-UHFFFAOYSA-N 430.394 4.745 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1286688314 WFZLWDUETWOXKC-OAQYLSRUSA-N 425.577 4.568 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1286689637 XPLCSKIBWLHQIZ-AUSIDOKSSA-N 435.547 4.726 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCc2cccc(Br)c2C)cc1OC 1288698875 DASANOGDHFKACI-LUAWRHEFSA-N 430.342 4.703 30 10 IJEE Cc1ccc(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c(OC[C@H]2CCOC2)c1 1294613923 DFOGUIZKSAEXAO-NRFANRHFSA-N 441.531 4.956 30 10 IJEE C=CC(C)(C)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1297827234 UKFCHOKDDTVAGP-RUZDIDTESA-N 439.559 4.991 30 10 IJEE CO[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)C1CC1 1299718428 AEKABYWYXSMVAM-HXUWFJFHSA-N 446.020 4.779 30 10 IJEE C#CCCCCn1c(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)nnc1C(C)(C)C 1300377031 QZTRIIRGZFSHCJ-IBGZPJMESA-N 432.515 4.558 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1300419633 PYRFHKHZYZQMNI-NHCUHLMSSA-N 443.636 4.554 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC(C)C 1300896713 IRWSQMWHPFWXKJ-PGRDOPGGSA-N 432.996 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(c3ncc(C)s3)CC2)nnc1C(C)(C)C 1300897355 PYECHFMTDKQRGD-OALUTQOASA-N 429.634 4.706 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1300937139 IBNBDTQGFQBNRH-IBGZPJMESA-N 444.421 4.657 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(F)(F)CC2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1301167586 CIUAIWYAIQQZBA-NFBKMPQASA-N 446.542 4.526 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1301182142 FIWSTFCJQHEVJX-SFHVURJKSA-N 440.617 4.961 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301198723 QBITVZQNXORVST-OAQYLSRUSA-N 434.588 4.558 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1301444608 UIFXJCHWJVCFFH-QZTJIDSGSA-N 449.368 4.817 30 10 IJEE C=CCn1c(N(Cc2ccc(F)cc2)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473533 DRLJUTPGJFXVDM-IZAXUBKRSA-N 441.551 4.543 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1 1301615738 VBHDIJWEJXGOFX-HXUWFJFHSA-N 425.627 4.895 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)CC(C)(C)C2)o1 1306609873 FNDKOJJUOCXVPH-KRWDZBQOSA-N 432.572 4.986 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nc3c(s2)C[C@@H](C(C)C)CC3)cc(OC)c1OC 1311295638 LUABCSQOLAKETE-INIZCTEOSA-N 429.586 4.971 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1F 1312357684 RBJUHYJLDNSDAK-INDWIESVSA-N 439.962 4.753 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1)c1ccc(F)cc1 1312933662 CZYUFIPVFZWMFM-NHCUHLMSSA-N 443.563 4.759 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]([C@@H](C)CC)N1C(=O)c2ccccc2C1=O 1349910552 KOYKLKOMCGZYSH-IFXJQAMLSA-N 430.957 4.627 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c1 1352552170 HVANEQGNGINNGJ-HXUWFJFHSA-N 428.451 4.770 30 10 IJEE Cc1cccc(CN2CCCC[C@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 1354753258 AXHVQJJLYSMYKP-QHCPKHFHSA-N 430.577 4.907 30 10 IJEE O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cc(C(F)(F)F)ccc1-n1cccn1 1356008260 CPYJKBZAQCAFRO-UHFFFAOYSA-N 435.303 4.602 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1358916559 PIIVVDRELKREFQ-GOTSBHOMSA-N 436.600 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCc3c(F)cc(F)cc3[C@H]2C)nnc1C(C)(C)C 1359104713 FHARECXBMKDJOS-XFQAVAEZSA-N 430.543 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCN1CCCO[C@H](C)C1 1359108968 KEWUSCWCZXVPGB-LJQANCHMSA-N 432.012 4.502 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(CN(C)C)c2)CC1 1359176235 QKNHNYCRZOXJBC-UHFFFAOYSA-N 436.991 4.506 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(CCOC)CCCC2)CC1 1359181741 GIMDHAJQHCNOJQ-UHFFFAOYSA-N 442.579 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCC)C1 1359184023 AAOHXBQMUFXEKW-INIZCTEOSA-N 436.398 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1359186742 RDDUMAZSGXJCIP-UHFFFAOYSA-N 430.600 4.886 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1)c1ccccc1 1359193776 JHUCURZJEPHJCP-OAQYLSRUSA-N 434.563 4.622 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1359193886 KXUJMLBGFHXTEQ-QHCPKHFHSA-N 447.583 4.559 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)C2(CCC2)C1 1359229532 LRJRXJFKTITGTG-NJDAHSKKSA-N 430.637 4.806 30 10 IJEE C=CCCOCCn1c(N2CCC(CCN3CCCC[C@H]3C)CC2)nnc1C(C)(C)C 1359229809 VSQCQYMVADMANE-OAQYLSRUSA-N 431.669 4.649 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1Cc1c(C)sc(C)c1Br)C1CC1 1359249132 PKXZQWHDNOQPIZ-UHFFFAOYSA-N 446.418 4.928 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCC(F)(F)C1 1359257341 IAFYGYMHMDVNQM-HXUWFJFHSA-N 445.558 4.825 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccccc2)cn1)[C@H](Cc1ccccc1)C(=O)OCC 1435902194 YRLHWFPBENBXRT-XMMPIXPASA-N 430.504 4.677 30 10 IJEE Cc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1C#N 1443301925 HWMHQRHNGAFJKS-UHFFFAOYSA-N 428.467 4.848 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 1449051043 KWNNAEVDLPWKPH-LJQANCHMSA-N 431.964 4.887 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(CCCNC(=O)OC(C)(C)C)cc1 1453349231 UGHCVGYNDWOHCG-IFMALSPDSA-N 430.589 4.774 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1 1459930951 HPSAAJUNTHTXGK-WMLDXEAASA-N 448.489 4.576 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(c3ccc(F)cc3)CC2)n(-c2ccccc2)c1C 1460651222 HPJQLGFBUBJCQJ-UHFFFAOYSA-N 430.527 4.923 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1OC 1462039464 CEDLQQGAAVUVQT-WUTDNEBXSA-N 449.378 4.999 30 10 IJEE CC[C@H](CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N)Oc1ccccc1C(F)(F)F 1466762128 BTAPEMBGUKZWMM-MRXNPFEDSA-N 434.462 4.931 30 10 IJEE C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1468273787 CPYKWUBXOIJMAC-MRXNPFEDSA-N 429.442 4.843 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1470615611 RAWRQCMHBPCFNH-JQIJEIRASA-N 429.442 4.963 30 10 IJEE C=CCCC[C@H](NC(=O)N1CC(O)(c2cccc(Br)c2)C1)c1ccccc1 1471202973 FRTJLSZWKBVQLV-FQEVSTJZSA-N 429.358 4.760 30 10 IJEE C#CCN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1CCOc2ccc(Br)cc21 1472696128 DPENQQDZXXLVRQ-OAHLLOKOSA-N 436.231 4.698 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@@H]1CCO[C@H](c2ccncc2)C1 1472934650 JMRKSFBRHDEHJM-XLIONFOSSA-N 426.517 4.590 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NCc2cc(Br)c3c(c2)OCO3)n1 1474084959 AZUITYCKGQHLSH-UHFFFAOYSA-N 431.677 4.501 30 10 IJEE C#C[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)c1ccc(Cl)cc1 1475366140 RJWHBQQKAIPIEG-INIZCTEOSA-N 433.154 4.550 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1ccccc1 1479190567 KMSAZQHECLDBSE-PXNSSMCTSA-N 430.570 4.557 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1oc(CCC)nc1C 1507644492 JGEUUUITWVIRAM-UHFFFAOYSA-N 447.608 4.646 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1CC 1507686761 FXOIXBMDNRCQCY-WOJBJXKFSA-N 446.599 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCC1=CCc2ccc(OC)cc21 1507826637 WCFVZPAWHUAOJV-UHFFFAOYSA-N 429.568 4.705 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1507841265 UFLXTXXZQGFORH-YADHBBJMSA-N 449.599 4.726 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](CCC)OC)CC1 1507898281 PYJBQDSOXNWMGD-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)CCCN2C 1507929019 NDESFMYAWIIWJX-HSZRJFAPSA-N 437.632 4.785 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCn1cc(C)cn1 1507968370 SJHFAFFVMARYTB-GOSISDBHSA-N 428.968 4.516 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1CC1CC(C)(C)C1 1507995961 FHADIQVBNCKNHL-UHFFFAOYSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN1CC 1507998276 DQDUDDNABQJWBU-DEOSSOPVSA-N 432.616 4.559 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1csc(CC)n1 1507998904 VCDYVKRYQHHFHO-UHFFFAOYSA-N 446.580 4.609 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1ccco1 1508015229 OEMWZHHKYMBWLP-MZNJEOGPSA-N 438.597 4.811 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1=CCCCC1 1508018340 SBNMQEYTUSEUKN-UHFFFAOYSA-N 444.583 4.744 30 10 IJEE C[C@H]1C[C@H](C)CN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)C1 1512002662 HTKJGRHSRSQTOG-SFTDATJTSA-N 434.632 4.811 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)Cc2cccc(OCC#N)c2)sc2c1CC[C@@H](C)C2 1526892749 CJCNBTXGROKJIZ-OAHLLOKOSA-N 426.538 4.522 30 10 IJEE C=CCc1cc(CNC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc(OC)c1OC 1528661093 KKEFTRGDXSILNT-UHFFFAOYSA-N 440.446 4.828 30 10 IJEE N#Cc1cccc(OCC(=O)NCc2ccc(Br)cc2Oc2ccccc2)c1 1529204708 CECOMLKIORCZKO-UHFFFAOYSA-N 437.293 4.808 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1529253262 HZDPTZGQCLXCDE-DEOSSOPVSA-N 430.545 4.784 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2ccc(I)cc2F)C(F)(F)F)cc1 1532570420 RBUSWPBDDGGBAZ-OAHLLOKOSA-N 448.153 4.872 30 10 IJEE C=CCN(C(=O)c1cc(Cl)ccc1OC(F)F)[C@@H](Cc1ccccc1)C(=O)OCC 1537316543 CYHSZBJZOCXABZ-SFHVURJKSA-N 437.870 4.744 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1c1csc(C)n1 1539133170 FRXRDJGGWYGZOM-OAQYLSRUSA-N 435.597 4.994 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1539402385 BIPIJEBASSNDCL-CTNGQTDRSA-N 445.007 4.526 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](CC(C)C)C1 1539504855 PVDFHLAWPPCJJU-KRWDZBQOSA-N 433.021 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)OCC 1539666880 AZNUKZCJCUWOKF-IBGZPJMESA-N 449.640 4.610 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1nccnc1C)C1CC1 1540114496 MIHUCQOWAYWLAD-UHFFFAOYSA-N 446.599 4.651 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1Cc1ccc(CC)s1 1540127204 CQJJHILCYLZUBE-FQEVSTJZSA-N 433.581 4.518 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@H]1CCO[C@@H]1C(=C)C 1540185956 XWLBGBIDHABPEP-AUSIDOKSSA-N 436.531 4.894 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc(C(F)(F)F)cc1 1540853113 MMDUINYONAFDDR-UHFFFAOYSA-N 436.503 4.636 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1543532984 FRFGMYOEQJJOSJ-AQNXPRMDSA-N 440.611 4.503 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1544802738 JJELFMVZMREBHW-UHFFFAOYSA-N 426.582 4.912 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1545472717 GBAYYNKKWDHQSY-LLJLJFOGSA-N 433.560 4.775 30 10 IJEE CSC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1555858348 GSVXTMMRIBKGGD-KKSFZXQISA-N 429.565 4.583 30 10 IJEE C[C@H]1[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1Cc1ccccc1 1556896989 BCKQJUMPXWGKQQ-RXFWQSSRSA-N 425.532 4.938 30 10 IJEE C=C1CCC(CNC(=O)NCCc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 1565127415 QMJKIJYZAPFBQB-UHFFFAOYSA-N 438.568 4.871 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](CS(C)(=O)=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1566675942 PNKUNOMTHRALQP-UXHICEINSA-N 439.499 4.657 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 1567263949 MZXPUKPHRZJGMP-WZONZLPQSA-N 448.563 4.600 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc(Br)cc1 1583505304 ACCVOLXLIBQSQJ-UHFFFAOYSA-N 425.120 4.958 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc(F)c(F)c1 1585434771 HTIJHPIUMKMMFP-ZEQRLZLVSA-N 448.469 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)c1nccs1 1587587013 WGZXPNQWJNCSHG-GJZGRUSLSA-N 444.402 4.734 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1587813036 HGAIARKNDIWJCB-CTNGQTDRSA-N 431.584 4.857 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1OCC 1588099388 LYQDEGQTOCBCOT-IBGZPJMESA-N 444.604 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccoc1 1589494696 NNDDLGYWSSLFKX-ICSRJNTNSA-N 444.482 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1589669486 WTKREWPHHWKPQM-SFHVURJKSA-N 445.583 4.571 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCCCC2)CC1 1594013041 BFNQFVXPNREUBT-FQEVSTJZSA-N 427.568 4.590 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1594616150 OGQHHLVVMFNAHE-JOCHJYFZSA-N 442.579 4.589 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1594824269 DWQPNRPDDPYHCB-QHCPKHFHSA-N 427.618 4.553 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1595108576 CXDWNOLRZNWHRP-RBUKOAKNSA-N 449.521 4.903 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccsc1 1595141517 ICMHMKPRISOUPT-QFIPXVFZSA-N 444.626 4.683 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1 1595149150 KRRNMKRTVVIEFU-CTNGQTDRSA-N 433.581 4.622 30 10 IJEE CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2)c1 1596041027 BGTVOWMCBZATMU-RUZDIDTESA-N 431.492 4.528 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1)C(C)(C)C 1597001198 APTFMTPUBBAZIA-KRWDZBQOSA-N 436.371 4.876 30 10 IJEE C#C[C@H]1CCCCN1C(=O)CCn1nc(-c2ccc(Cl)cc2)n(CCCC)c1=S 1603640426 XXHWNAGKWKLXBV-IBGZPJMESA-N 431.005 4.939 30 10 IJEE C=CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1)CC1CCCCC1 1615505998 UKPKUIXNJZEMGN-UHFFFAOYSA-N 433.596 4.932 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC2(OC)CCC2)C1 1617472675 FYFRGJABRNHJDK-NHCUHLMSSA-N 439.629 4.886 30 10 IJEE CN(Cc1ccccc1NC(=O)N1CCC[C@H](CC#N)C1)C(=O)c1cc2ccccc2o1 1623089634 ACNLTKDIPMCYCA-GOSISDBHSA-N 430.508 4.863 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 1632007613 DISUYIUMCOBPDN-FQEVSTJZSA-N 432.992 4.965 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C 1632773375 QXVGJGHPOJXJGD-VQTJNVASSA-N 446.588 4.510 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc23)n1 1634606675 FPBGQTZRZFBCQS-UHFFFAOYSA-N 432.568 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 1634845584 UOXTUXRJMIVDOZ-QAPCUYQASA-N 430.442 4.537 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 1643065151 XXKDKQYDADTQDF-QGZVFWFLSA-N 433.394 4.940 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)Nc2cc(-c3ccc(C(C)C)cc3)nn2-c2ccccc2)C1 1648291163 VHOQMZUNBULSGI-OAQYLSRUSA-N 426.564 4.946 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)c1ccccc1CC#N)C(F)(F)F 1653736569 ACZAJTRMGJVWCN-HXUWFJFHSA-N 426.442 4.631 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C 1653791896 ABPCNTAWPKBGPQ-NJDAHSKKSA-N 436.625 4.614 30 10 IJEE C[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)Oc1ccc(Br)cc1 1655181736 GXYLIQNQJCZKMK-CQSZACIVSA-N 425.286 4.782 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 1657182796 DVKHLYHXPBRJJO-HRAATJIYSA-N 439.369 4.833 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C(C)(C)CC)cc2)cc1 1665968769 GFXNWQWNUBTQIY-UHFFFAOYSA-N 429.586 4.502 30 10 IJEE C[C@@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 1666293610 FQTGFVPZDFTVSJ-HXUWFJFHSA-N 442.563 4.726 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1 1668527981 HPNMJMNJHMHDLH-FQEVSTJZSA-N 427.570 4.690 30 10 IJEE CC(C)(C)c1cc(NC(=O)N[C@@H]2COc3cc(F)cc(F)c32)n(-c2ccc(C#N)cc2)n1 1669880514 CGAFIJZRWHQAOM-QGZVFWFLSA-N 437.450 4.575 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(F)c(F)c1 1671852442 YOSGXMHAAADIEY-OALUTQOASA-N 435.515 4.813 30 10 IJEE C[C@]1(C#N)CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1675398613 DBLSTUXCWOXJBJ-NZQKXSOJSA-N 443.016 4.836 30 10 IJEE CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1675489371 FRLNNZZGLDZBMO-OAQYLSRUSA-N 448.611 4.630 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(N(C)C)cc1C 1678956948 RHRXYULURRQZTF-UHFFFAOYSA-N 434.353 4.860 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1ccc(F)c(F)c1 1681037861 NJBRZSXQWZTDCL-QFIPXVFZSA-N 427.426 4.753 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccccc1)C1(CO)CCCC1)c1ccc(Br)cc1 1682357312 WZKZNCMCSCPKIZ-LEWJYISDSA-N 441.369 4.717 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)c1ccc(Cl)cc1F 1682368326 YYYDRTUCKNNHTH-GOSISDBHSA-N 439.687 4.823 30 10 IJEE C#CCN(C(=O)N[C@@H](CF)c1ccc(F)cc1)[C@H]1CCOc2ccc(Br)cc21 1683571396 WVDTUVOTFPPVRQ-OALUTQOASA-N 449.295 4.767 30 10 IJEE C#CC[C@@H]1CCN(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)C1 1685392065 IAQVRDMPZWRSKT-OAHLLOKOSA-N 444.432 4.714 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1685871394 IDJQFWVSYHHIPJ-QHAWAJNXSA-N 434.458 4.836 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCN1CCC[C@H](C)C1 1690008158 XPWJYJNWMGBPIJ-QHCPKHFHSA-N 445.655 4.828 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CC1CCC(C(F)(F)F)CC1 1690052576 LRERQQGXTJMPLE-UHFFFAOYSA-N 442.529 4.895 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCc2sccc2C1 1690065447 XNAIYMPLKLDXEF-UHFFFAOYSA-N 447.652 4.822 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCSCc1ccccc1 1690198052 ACTJIAYTQRLNSC-HSZRJFAPSA-N 438.000 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690247815 GQUBVDDKCHPYHV-SVPADUAOSA-N 433.600 4.591 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1690343793 DHJXWSRUWSFUDJ-IBGZPJMESA-N 446.979 4.632 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCN(C)CC(F)(F)F)CC1 1690402591 IFUWKMPBLFWIMK-UHFFFAOYSA-N 447.505 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1690422427 OGTLHWVZNCMCEC-QUCCMNQESA-N 444.645 4.966 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cc(F)cc(OC)c1 1690575912 FVLWMQCESGFEFT-UHFFFAOYSA-N 437.544 4.734 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1690632573 DAZLZADNHYPCMH-KDOFPFPSSA-N 445.386 4.922 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1696388217 DHWIKPZBJLRSHD-RTBURBONSA-N 429.515 4.505 30 10 IJEE COCCC(C)(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1 1697910077 GFVQKNCFKYCUBQ-YADARESESA-N 443.567 4.540 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nc(C)cs1 1705477913 UCICHNZRCZXCKB-IRXDYDNUSA-N 444.004 4.959 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](CC(C)C)N(C)C 1705503527 XXTJQNCJEVPNMT-IRLDBZIGSA-N 439.648 4.589 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1occc1C 1705573672 LQLATSSNRWBWKO-IBGZPJMESA-N 436.943 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1705589329 PEHFNNVPVIUWKG-CUYJMHBOSA-N 431.628 4.555 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705664603 VBZGRVVFFUKQKS-FCHUYYIVSA-N 438.641 4.857 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC(O)(CCC)CCC 1705671156 XZNMNGKMATZHJV-HSZRJFAPSA-N 445.007 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCSC1(C)C 1705677295 JJLYGVBJFKKGFB-CJFMBICVSA-N 438.641 4.998 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1ccc(Cl)cc1 1705703605 UYCMDJKZRVRRNZ-XMSQKQJNSA-N 432.996 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1705777972 WHPHMRWNSULYRK-UHFFFAOYSA-N 447.461 4.633 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCCN2CCCC[C@H]2C)CC1 1705783600 NCQKNRWDDAKGEN-HXUWFJFHSA-N 427.662 4.987 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 1705827521 IAECJLXOIXPXRO-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(F)c(C)c1 1705842540 PRPCFRQNUHTGIA-LJQANCHMSA-N 443.567 4.511 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCSC(C)C)C1CC1 1705854565 LWZDXOHFGHDASN-SFHVURJKSA-N 449.665 4.689 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CCc1cc(C(F)(F)F)ccn1 1705879396 XIYSSDXHWKTFSW-UHFFFAOYSA-N 433.478 4.886 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(C)(C)SC)C1 1705915067 ACLHEANYHLWONF-HXUWFJFHSA-N 426.630 4.671 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CC[C@H]1C2 1705941275 FVRVTGWHERWJTH-HOCLYGCPSA-N 449.418 4.624 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1705945592 NVUYXOBYTNEOCF-HKUYNNGSSA-N 449.665 4.594 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCc2ccccc21 1705947717 VIOVEUNRQBIYEE-FQEVSTJZSA-N 425.627 4.677 30 10 IJEE CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)CCO1 1706124171 HUFKFWFLMITZDP-UXHICEINSA-N 443.542 4.894 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1ccccc1 1722379630 KFTDRBGAFITHDX-MRXNPFEDSA-N 439.382 4.646 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cc(C(CC)CC)no1 1722416125 XDMJFEOFLQISIO-UHFFFAOYSA-N 430.556 4.750 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1722479270 BHQRXXWDSLUMDP-APHBMKBZSA-N 436.785 4.917 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCSC[C@H]1C 1722547082 AGUXTXSQGJVLEO-MRXNPFEDSA-N 437.009 4.827 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722553010 YXDZLUDJNXPFAT-OAHLLOKOSA-N 428.861 4.771 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCN(CC)C2)CC1 1722574292 JPGZTDMTOPWKCR-QUCCMNQESA-N 444.023 4.816 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1C 1722669557 WONPVXHHWVWVNF-UXHICEINSA-N 446.599 4.680 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740574201 FDMWDEOLMJAVAX-QHAWAJNXSA-N 443.636 4.678 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCCCC2)C1 1740778272 SIMFPOPXBPOPRK-UHFFFAOYSA-N 434.382 4.541 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1740800153 INQOHSUNMVRBDF-UHFFFAOYSA-N 442.489 4.552 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1740802445 LPDPDBNAQNTANE-DHSIGJKJSA-N 425.360 4.685 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1740853743 ILGNZEITRDNMSZ-JTHBVZDNSA-N 433.600 4.896 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1740869681 VQZSMXJTVPAUED-NRFANRHFSA-N 437.632 4.852 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H]1C 1740916969 CGEYRIUTMWNEEZ-HCUBDLJJSA-N 449.599 4.503 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CC=C 1740918881 RDYUUJGOXAEBAM-UHFFFAOYSA-N 433.556 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C1CC(C(C)(C)C)C1 1740924052 DLFYCZCDMZTPEO-UHFFFAOYSA-N 427.618 4.652 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1740927051 QFWZFTPUGZJBLK-FDFHNCONSA-N 429.653 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1cnn(C)c1 1740927727 MMBIOXRRLVUVND-GOSISDBHSA-N 436.629 4.676 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1740941539 NHWROSNCMJKLDM-UPVQGACJSA-N 440.632 4.982 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCc2ccc(Cl)nc2C1 1740945760 SZUKRALXLMBBDV-UHFFFAOYSA-N 439.947 4.538 30 10 IJEE COC1(Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(C#N)CC2)CCCC1 1748493271 FZOXEVCMEZBOOG-FQEVSTJZSA-N 437.588 4.734 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)c1c(C)noc1C 1748660889 YMQHGIGDZQESHC-UONOGXRCSA-N 442.361 4.574 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1748736019 KQOFIKXGSGCPMC-VWLOTQADSA-N 444.627 4.963 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1cccnc1)C(C)C 1748895410 YSBFHZJQZQWZSY-XMMPIXPASA-N 445.998 4.820 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccsc1 1748945393 SDBIPPSYPQOWHT-XMMPIXPASA-N 438.572 4.684 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1cccc(C(F)(F)F)n1 1749060767 BVAWVLQWRZJSGM-OAQYLSRUSA-N 429.421 4.538 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1749119913 YHSKPQRTTOJSPN-BAHGYDIPSA-N 443.680 4.864 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CC1CCC1 1749134464 ZABZXROYBZHPPO-WZONZLPQSA-N 430.543 4.755 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(N(C)C)CCCC2)CC1 1749286426 KVOPBPZXGISDLB-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1749395354 HJHHQLGUPAGGJV-OAQYLSRUSA-N 425.964 4.871 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@H](C)C1 1749436915 AEXMHVVYPLKOFQ-OAHLLOKOSA-N 437.407 4.528 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(C(C)C)C1 1749537251 DAYMUBVZXGUGIG-VWLOTQADSA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1cccs1 1749538149 DRZUUGYLZJAKTL-XMMPIXPASA-N 431.565 4.502 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)N1CCCC1 1749554412 SHMUKURFNLMZMH-CTNGQTDRSA-N 429.634 4.648 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@@H](C)C1 1749592482 NMXWAFOJVPLGLI-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(N(CC)CC)CC1 1749622052 MUGVVZAMTYDRGL-UHFFFAOYSA-N 432.410 4.513 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCCCC1 1750298603 AIGPOEVTNQPJHQ-WOJBJXKFSA-N 440.661 4.517 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1scnc1C 1760148838 OAHSOWHULUDACC-UHFFFAOYSA-N 439.585 4.556 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(C(C)(C)C)CC1 1760149338 GFSUQWGBHSZTBM-UHFFFAOYSA-N 434.415 4.976 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@@H](C)C1 1760276124 TUSQSRUOBXRKBX-CQSZACIVSA-N 439.448 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(COC)CCC1 1760288818 KIVLLYCCJUSJAG-WZONZLPQSA-N 442.991 4.880 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOCC1CC1 1760319083 QSAMQIKCJXCTPB-DYESRHJHSA-N 448.970 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(C)cs1 1760326802 ZYDOFGLFYWFCIZ-GHTZIAJQSA-N 428.627 4.918 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccnc1OCCC 1760331018 IKBDQRGICJBSPP-UHFFFAOYSA-N 426.952 4.628 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC(C)(C)C1)c1ccccc1 1760416614 IJMJFXKFQMDIGQ-NRFANRHFSA-N 444.583 4.912 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760423362 XAVLBJPWBFVWJS-HSZRJFAPSA-N 429.572 4.828 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1760496744 FHRJCCVDWLIMTJ-UHFFFAOYSA-N 441.576 4.977 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@H](C)C1 1760501622 WYMAJWJKVORENC-PKOBYXMFSA-N 425.602 4.898 30 10 IJEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760531946 FYSPADAMTUCDFE-GOSISDBHSA-N 438.494 4.562 30 10 IJEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H]2CC)CC1 1764433880 CZUMCGFHOUJHGY-JTHBVZDNSA-N 434.632 4.954 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)cn1 1764603273 GHDSRBLOURCTND-UHFFFAOYSA-N 430.556 4.675 30 10 IJEE CCC[C@@H]1C[C@H]1n1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@](F)(C#N)C1 1764654225 IEUHVHKGFMPXJI-UYWGQIMJSA-N 427.524 4.620 30 10 IJEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCC1(F)F 1767290903 AGHYTCMJZWGXFB-GOSISDBHSA-N 442.539 4.778 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1C(=O)O 1857890323 RITYGJMUWLOVFR-UHFFFAOYSA-N 434.920 4.578 30 10 IJEE CN([C@H](C#N)c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1857960677 QGFQMIJFHKQXTC-OAHLLOKOSA-N 434.142 4.641 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc(-c3nc4cc(F)ccc4o3)c2)nc1C 1859736946 DQGVTMKPHBNEPZ-UHFFFAOYSA-N 437.452 4.994 30 10 IJEE CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3cc(F)ccc3F)CC2)c1C#N 1860633258 DMJDNOUPXCLPCY-UHFFFAOYSA-N 431.508 4.686 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1Cl 1862381393 YVZFVUJXAPFDJY-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862423313 ZKVKGDXXELOHOL-OAQYLSRUSA-N 443.446 4.501 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(Cl)c1 1862446414 RJWVCZANLLTVNK-IBGZPJMESA-N 433.335 4.523 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862490735 CNTZKXGLMCZGTJ-XMMPIXPASA-N 437.499 4.958 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 1862593148 DBGKHERFTQTPBF-OAQYLSRUSA-N 436.464 4.602 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(C)cc1 1862722720 XPBIQTSIVKMOLA-DEOSSOPVSA-N 427.500 4.887 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 1862801438 OFBYFXGDSSPSNO-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2Oc2ccccc2)=C(c2ccc(OC)cc2)C1=O 1863330424 FFEQSCYMZODBSC-UHFFFAOYSA-N 426.472 4.866 30 10 IJEE C[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc(C#N)c2)nc(-c2ccc(F)cc2)n1 1868445571 RRXTUEFPRBBTJA-OAHLLOKOSA-N 425.471 4.745 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1 1868883901 AEQPUXZNMUECQQ-RPWUZVMVSA-N 426.601 4.845 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccccc1C(F)(F)F 1870159758 ROGNXXLMSHACGS-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C#CCOc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871009516 ZKOWGOCTLAWKCJ-UHFFFAOYSA-N 445.563 4.769 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2F)C3=O)c1 1871364775 JQHRPVTZMBGCMF-XKZIYDEJSA-N 431.419 4.928 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(=O)OC)cc2)C3=O)cc1 1871387111 YYBJHZHPOYQAMH-UCQKPKSFSA-N 444.439 4.707 30 10 IJEE CC(C)(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC4(CC3)OCCO4)C2=O)cc1 1871397247 ULDFMWQGUAASMT-KQWNVCNZSA-N 449.547 4.645 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C)c4ccccc4)ccc3C2=O)cc1 1871424343 GIXHXDOWEAGDLR-PDESAOGPSA-N 429.472 4.568 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871427241 ULYBZCSOPGFUBM-MOSHPQCFSA-N 425.437 4.632 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1871857665 UGDLEXLTAURRNS-QFIPXVFZSA-N 430.570 4.814 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871874736 VZZPNROLHMRUED-AVRDEDQJSA-N 432.561 4.754 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872152553 UYYCXGWNXBVOPM-CVDCTZTESA-N 444.597 4.706 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872233197 NKPNLINMPNFHTK-KRWDZBQOSA-N 426.991 4.776 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N3CCCC3)cc1)n2Cc1ccco1 1873615172 LZFUFOORLYLVGS-UHFFFAOYSA-N 442.523 4.523 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CCCC)cc2)cc2c(NCCN(CC)CC)ncnc21 1873624707 MJKSJWGNAMCASE-UHFFFAOYSA-N 448.615 4.966 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874246131 ODWVTQUXECLYRA-PXLXIMEGSA-N 425.514 4.501 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(C(=O)OC)cc1 1874321548 XQACAZBTTSVBOX-ZVHZXABRSA-N 438.553 4.645 30 10 IJEE CCCOc1c(/C=N/n2c(COc3ccccc3)nnc2SCC)cccc1OC 1874384675 BOPMPSLHFUPBEA-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2-c2ccco2)cc1 1874468115 SDEUMJVKWUZOFE-BUVRLJJBSA-N 437.569 4.524 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(Cl)cc1Cl 1874491970 RRKREJXNVVNCFX-UFFVCSGVSA-N 429.373 4.711 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccc(Cl)c1 1874516722 DAGKURZYEALYQM-CBFMJHRQSA-N 441.988 4.907 30 10 IJEE CCCCOc1ccccc1/C=N/n1c(S)nnc1COc1ccccc1OCC 1874567731 NQJQHYMZZDROQD-HZHRSRAPSA-N 426.542 4.606 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)cc1 1875149915 NYJRCZKSIKKZLP-WLRTZDKTSA-N 446.455 4.695 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(OC)c1OC(=O)c1cnccn1 1875179122 UOSLAVWYMUBTAN-CSKARUKUSA-N 428.488 4.946 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(CO)CC1)n2CCCC 1875211922 BHJYRKCTWDKFGO-UHFFFAOYSA-N 443.636 4.848 30 10 IJEE C=CCN(C[C@H](NC)c1c(Br)cccc1Br)C(=O)OC(C)(C)C 1937849528 INOXCQCCJMGYFQ-AWEZNQCLSA-N 448.199 4.895 30 10 IJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 1950333482 UIWSUCDFNKWRDU-AMDXRBSFSA-N 427.589 4.739 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CCC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1950517881 SPLOYZBPFQAONY-IIBYNOLFSA-N 436.557 4.901 30 10 IJEE CN(C(=O)OC(C)(C)C)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Br)cc1C#N 1966563118 CSCIGEXDWALXJI-DFNIBXOVSA-N 434.378 4.683 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CO1 2052554998 COCRBIHYCPOFBJ-IBGZPJMESA-N 442.796 4.608 30 10 IJEE CC(C)(C)OC(=O)NCC1(Nc2ccc(F)cc2C#N)CCN(Cc2ccccc2)CC1 2067210125 LFOZWFOCVBTASC-UHFFFAOYSA-N 438.547 4.669 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](O)Cc2ccc(Cl)c(Br)c2F)C1 2077089802 LSJKTRUDJUWKBL-CYBMUJFWSA-N 434.733 4.759 30 10 IJEE CCc1nn([C@H](c2ccc(C)cc2C)C2(C)CC2)c(I)c1/C=N/O 2079005425 KUBCSWLQBGXAQW-LASGFXPTSA-N 437.325 4.865 30 10 IJEE C=CCC1(Nc2cc(F)cc(Br)c2N)CCN(C(=O)OC(C)(C)C)CC1 2106202929 BDTHAGHRCCNKGL-UHFFFAOYSA-N 428.346 4.928 30 10 IJEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1 2106595191 WNHGKIBXFWOLPW-UHFFFAOYSA-N 438.377 4.969 30 10 IJEE CC(F)(F)C[C@H]1CSC(=NCc2scc(Br)c2Br)N1 2113238399 ONIMAVZWLURDIX-LURJTMIESA-N 434.169 4.879 30 10 IJEE Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OC(C)(C)C 2124519070 GARRKXDNLYNWED-IZZQQSIFSA-N 442.365 4.506 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2140575632 RPGQRKMGDWKSFW-SJORKVTESA-N 429.399 4.773 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2154524695 BCYLFELUBWZCII-OAQYLSRUSA-N 427.386 4.604 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ncc(Br)cc3C#N)CCCCC[C@@H]12 2162340560 BLOXBFXFFSAHLC-UZLBHIALSA-N 435.366 4.840 30 10 IJEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1Cc1cscc1B1OC(C)(C)C(C)(C)O1 2220075436 FUCZVCFBNXCPTQ-VAMGGRTRSA-N 440.462 4.531 30 10 IJEE Cc1cnc(Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c(B2OC(C)(C)C(C)(C)O2)c1 2232311534 KHAUKANYJLINLN-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2235719025 FFXZCYPBADEJDE-MSOLQXFVSA-N 435.406 4.672 30 10 IJEE C[C@H](C[C@@H](O)C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2235741046 AWVNKURWQPVUDN-QRQLOZEOSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](N)C#Cc3ccccc3Br)C[C@@H]21 2235750507 WGMSOBZYPMJUDM-XEYPJELSSA-N 433.390 4.554 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Nc1cc(Br)cc(F)c1C#N)C2 2241107191 WRQYDOAFAXZGJR-WGGXSYPISA-N 438.341 4.954 30 10 IJEE NCCO[C@@]1(C#Cc2ccccc2Br)CCCC[C@@H]1OCc1ccccc1 2293867961 NJRBKJQBJZCTRF-XZOQPEGZSA-N 428.370 4.674 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C1CC(CNC(=O)OC(C)(C)C)C1 2296275047 XNXDPTLZFDPAGH-QLOJAFMTSA-N 435.406 4.720 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 2305320771 XOVVZKDQMJNKTP-NLFFAJNJSA-N 428.573 4.603 30 10 IJEE CC1(C)[C@@H](Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1OCc1ccccc1 2317217782 BNDBNGZAFCFGLY-VQTJNVASSA-N 442.796 4.830 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317350270 PRGFVOUILPGAFF-MRXNPFEDSA-N 432.370 4.797 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(O)c(O)c2)cc1 2318574189 GSUBANVCEZNZHM-UHFFFAOYSA-N 430.533 4.763 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)cc1 2321119897 NLDQGIXJXXROAG-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2CC(C)C)c1OCc1ccccc1Cl 2321907017 VFZDMDNEMLXPJJ-UHFFFAOYSA-N 430.961 4.889 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c1 2323511107 RTMLIPFBZAESJC-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C(=O)Oc2cc(C=CC(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)cc1 2325669683 MLKAFIKLROFUJH-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OC[C@H]3CCCO3)cc(C)c2C1=O 2325690418 CIKXBBWSGSXPLX-MRXNPFEDSA-N 445.309 4.940 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2325721494 MNZIHLVLKLKKDO-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(OC)c2)C3=O)cc1 2325722357 AICIZJSOAYUHFJ-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE CCOc1cc(C=Nn2c(CCCOc3cccc(C)c3)nnc2SCC)ccc1O 2326992098 ZSACLVPYYFURHX-UHFFFAOYSA-N 440.569 4.697 30 10 IJEE Cc1ccc(C(=O)CCC(=O)N[C@H]2CCN[C@H](C(=O)C=Cc3ccc(C(C)C)cc3)C2)cc1 2328249316 SLRDAOHAGCXSBU-DQEYMECFSA-N 446.591 4.601 30 10 IJEE Cn1cccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1ccccc1F 2329193312 YYZUZZFLTVPPJQ-UHFFFAOYSA-N 435.528 4.552 30 10 IJEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1O 2330460758 HUJVBLMFTFAYJF-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3OC)c([N+](=O)[O-])c2)cc1 2330967996 HSTVAOSQVJGRTF-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cnccn1 2331084230 FLANQMJRAWZRGM-UHFFFAOYSA-N 430.794 4.532 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(F)cc2F)cc1 2331124126 VWVKHKYKRZRYNO-UHFFFAOYSA-N 443.357 4.658 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccco2)c(OC)c1 2331206833 QNSFEXXWMUZLTH-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)c(F)c3)cc2)cc1[N+](=O)[O-] 2331555704 JINSKZBGWBNPIM-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578979 OQYCTPPLGSQZAO-KAZAESRKSA-N 444.381 4.608 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)c1 2345724029 GSAVNKYGYRNNNB-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE N#CCc1ccc(NCc2ccc(I)c(Br)c2)cc1 2349841299 IMTIUQFPJHFIEA-UHFFFAOYSA-N 427.083 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@@H](N)C#Cc3cccc(Br)c3)C[C@@H]21 2360195982 HCZBSASKJLQASN-HNJRGHQBSA-N 433.390 4.554 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)ccc1OC 2364628970 DJNZHRGOGJXQSP-HKUYNNGSSA-N 439.394 4.805 30 10 IJEE CCCCOc1ccc(C2=NOC(=O)/C2=C/c2cccc(I)c2)cc1 8780853 RHWYNNDKBDDMRK-QGOAFFKASA-N 447.272 4.815 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C(=O)C(=O)O)c1ccc2ccccc2n1 9631607 GHNCPHZQIWVXTQ-PDGQHHTCSA-N 435.842 4.716 30 10 IJEE C=COCCSc1n[nH]c(N/N=C/c2ccc(OCc3c(C)cccc3Cl)o2)n1 20425203 UVKUNVRHWAKCRU-SRZZPIQSSA-N 433.921 4.637 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)c(C)c1 21081280 OAWSIBUVITVOJW-WSDLNYQXSA-N 428.949 4.642 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1OC 21260682 YWSCJBDAPUEAGL-TZIWHRDSSA-N 449.547 4.885 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(OC)c(O)c2)cc1 21660460 MFZFMBLQFXJHDU-HJPURHCSSA-N 432.476 4.664 30 10 IJEE CCc1cc[n+](/C(C(=O)c2ccc(C(C)(C)C)cc2)=C(/S)NC[C@@H]2CCCO2)cc1 22691261 YURKOHNCLFSWAS-NRFANRHFSA-O 425.618 4.541 30 10 IJEE COc1ccccc1C(=O)On1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 27527702 SLQQBZFRIAQXSH-UHFFFAOYSA-N 428.488 4.639 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2C)S/C(=C/c2cccc(OC)c2OC)C1=O 36258143 GUBZUPNDTLVYIG-QGOAFFKASA-N 425.506 4.556 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1cccc(C(F)(F)F)c1 100193902 SJTBBFFXPNZHJD-QNZDRRGVSA-N 439.434 4.825 30 10 IJEE C=C(C)C/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C(/C)c1ccc(C#N)cc1 103461831 MANVRYYKIXLAQL-VOMHGQTNSA-N 432.549 4.855 30 10 IJEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(NC(=O)C(C)C)cc3)c2)c1 105982605 NYOCLZURSIZUKZ-UHFFFAOYSA-N 440.499 4.720 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 110339934 ZPPSSGYUOJHKNP-DENIHFKCSA-N 448.498 4.557 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(OC)c2)c1 169928400 ULMNCWMXLHKFTM-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 169956523 MNVSZSSDEIUHMQ-JOCHJYFZSA-N 447.922 4.580 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccccn1 169993345 VHUNZXFPTVDRKC-JOCHJYFZSA-N 436.870 4.976 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1cccnc1)c1ccc(F)cc1 170004855 DBNDLWMGVXSGOZ-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(Cl)ccc2C)[C@@H]1c1cccnc1 170005878 HBACRYQXBSHVGR-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1F 170072261 GBHNVTNSVMCTGK-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2C)cc1 170086356 OKZQVLUJORMQTP-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140586 YTGLRFAFAWZOHG-OAQYLSRUSA-N 432.407 4.825 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccccn3)oc12 170168207 IQDRSOTYPIFQHH-HXUWFJFHSA-N 446.484 4.676 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccccn1 170172850 FJVLGAWNGTZANM-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccncc1 170199925 KZLHHKCGIDVACU-OAQYLSRUSA-N 432.451 4.629 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1ccncc1 170200594 BUALXUFZOXCHPT-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccco1 170279989 LBZJKIXYVFEMSS-JOCHJYFZSA-N 447.487 4.692 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2sccc2C)cc1C 170317302 WTZCQBSJQUWXDZ-OAQYLSRUSA-N 448.544 4.937 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2cccc(C)c2)cc1 170458946 PIZMFLXNHIQOHF-QHCPKHFHSA-N 435.520 4.683 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3nnc(-c4cccs4)s3)nc12 170547664 MYSVPCPNLUEPDJ-UHFFFAOYSA-N 445.533 4.933 30 10 IJEE N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1 229172904 LEIZFJHQCXYMOH-OYDLWJJNSA-N 431.536 4.781 30 10 IJEE CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)SC1=Nc1ccc(C(=O)OC)cc1 252620706 MKEOJIVWPDXRRH-OKZFSLEBSA-N 430.913 4.759 30 10 IJEE CC(=NO[C@H](C)C(=O)Nc1ccc(Br)cc1)c1ccc(NC(=O)C2CC2)cc1 254352819 ZMOKZHAAOIFAJJ-CQSZACIVSA-N 444.329 4.565 30 10 IJEE COC(=O)c1c(C)[nH]c(C=Nc2ccc(N=Cc3[nH]c(C)c(C(=O)OC)c3C)cc2)c1C 254517842 OMKKVZLEEHOOIS-UHFFFAOYSA-N 434.496 4.651 30 10 IJEE Cc1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccc([N+](=O)[O-])cc1 254771290 VUJMQSNYLBWPNK-UHFFFAOYSA-N 447.520 4.535 30 10 IJEE CCOC(=O)c1ccc(N=C2S/C(=C/c3ccc(N(CC)CC)cc3)C(=O)N2C)cc1 254847999 DQFUPQPXXUZOTL-CHLWQFSPSA-N 437.565 4.943 30 10 IJEE C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 439341449 MDDJIDPCGQVYOC-UHFFFAOYSA-N 442.821 4.813 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)NCc2cc(O)nc3ccccc23)cc1 443700024 QXWCQLCDUJPBRU-UHFFFAOYSA-N 438.487 4.907 30 10 IJEE N#CCCn1ccc(NC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)n1 470390039 PJTHSLBRZDJUGY-UHFFFAOYSA-N 433.859 4.830 30 10 IJEE N#Cc1ccccc1N(Cc1ccco1)C(=O)COc1ccc(F)cc1Br 501015188 AITOBYDNHAIONX-UHFFFAOYSA-N 429.245 4.665 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@]2(CCCOC2)C1 508956152 NJRPIDPVAXHELX-NRFANRHFSA-N 437.371 4.747 30 10 IJEE O=C(c1cccnc1OCC(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 512381613 TXVSHYRHJHKPQM-KRWDZBQOSA-N 436.327 4.752 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526819037 MFXGCVJTXNVQQI-CFRMEGHHSA-N 440.569 4.658 30 10 IJEE N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(OC(F)(F)F)cc1 530876765 KWCYOTXCVSMCLA-PMPSAXMXSA-N 444.331 4.968 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 549213387 BJRYRYDJVYNEOR-IBGZPJMESA-N 438.551 4.555 30 10 IJEE N#CCSc1ccccc1NC(=O)CN(Cc1cccs1)C1Cc2ccccc2C1 560181713 BUPNQOXUMRQKGR-UHFFFAOYSA-N 433.602 4.972 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 581204030 MLKKNOPZYBXXLH-UHFFFAOYSA-N 445.523 4.837 30 10 IJEE CN(C(=O)CSc1ccccc1C(=O)NCc1ccc(C#N)cc1F)C1CCCCC1 609229910 XJRKNZHXLGATCQ-UHFFFAOYSA-N 439.556 4.511 30 10 IJEE Cc1ccc2nc(CSCC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cn2c1 739748547 BZBACVWJDAQRHN-UHFFFAOYSA-N 432.574 4.793 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 786931005 SKZQOPMDFYNWJS-OAQYLSRUSA-N 449.551 4.797 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3nc(Cl)cs3)s2)c(C(F)(F)F)c1 789900647 WFWHQAYNHHFOOM-UHFFFAOYSA-N 428.848 4.987 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc(F)cc1 812950700 DZUKRPJYGMKEOX-FQEVSTJZSA-N 441.915 4.967 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](O)c2ccc(Cl)cc2)cc1OCC 913170281 TXUGIECIQNPIIN-SFHVURJKSA-N 440.765 4.889 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)c1 1125293950 JUELJDVZPGSBAT-HZHRSRAPSA-N 432.882 4.756 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 1125559347 BMAMTWOAZKKDDW-UHFFFAOYSA-N 440.286 4.796 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3Oc3ccccc3)cc2C1=O 1125669620 QHYDFLONCVVPHP-KRWDZBQOSA-N 426.472 4.752 30 10 IJEE CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@H]1CCCN(Cc2ccccc2)C1 1126868608 GPAIKXUOPLBPGD-SANMLTNESA-N 439.559 4.874 30 10 IJEE C#CC[C@@]1(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1128055629 IWRRGVKIYXSOJJ-AOMKIAJQSA-N 438.490 4.718 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(F)c(F)c1 1128248522 DUQIXFPFCBZQRZ-PBHICJAKSA-N 430.442 4.591 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(Br)cc3c2OCCO3)C(F)(F)F)cc1 1128968224 HJBNAWGBGHMHSN-KRWDZBQOSA-N 441.199 4.662 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)cc1OC 1130027474 JGVQESCPJNNBAI-KAMYIIQDSA-N 425.488 4.773 30 10 IJEE C#C[C@@H](CCC)NC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1139967133 FYALGPHDEPGQFS-SFTDATJTSA-N 444.575 4.956 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cccn2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 1140346736 XNWBRNXMUHJIMT-UHFFFAOYSA-N 439.556 4.555 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)OCC 1140925170 ASSGQERNXOCCRA-WOJBJXKFSA-N 446.341 4.583 30 10 IJEE C=CC[C@H](C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1)c1ccccc1 1141566850 XKJQXSPLFRFNBJ-CCDWMCETSA-N 432.564 4.900 30 10 IJEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCC1 1152064103 CQUFJYBHPOQRQP-UHFFFAOYSA-N 435.524 4.722 30 10 IJEE Cc1ccc([C@](O)(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)C(F)(F)F)o1 1162667785 HRLZAFRZPWJTNG-KPZWWZAWSA-N 448.363 4.688 30 10 IJEE C=CC[C@H](Sc1nc2ccc(Br)cc2c(=O)n1CCCCC)C(=O)OC 1164607961 YRTXPMKFCPJLNK-INIZCTEOSA-N 439.375 4.559 30 10 IJEE C=CCOc1cccnc1C(=O)NCCCCCC1CCN(C(=O)OC(C)(C)C)CC1 1177435706 XEQKGRKSLDURLF-UHFFFAOYSA-N 431.577 4.584 30 10 IJEE C=CCc1cc(CNC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc(OC)c1O 1177769450 JJBXOUSUAVEJNB-JOCHJYFZSA-N 445.003 4.724 30 10 IJEE C=CCOc1ccc(CN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C(C)(C)C)cc1 1192053016 UFDQBUFVGZJOFP-UHFFFAOYSA-N 443.975 4.633 30 10 IJEE C=CCCC1(CNC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)CCCC1 1199332974 MXFWKXOQBPYYEL-UHFFFAOYSA-N 425.529 4.553 30 10 IJEE N#Cc1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1Br 1205019526 BPRBACLUTUWBRN-LJQANCHMSA-N 447.764 4.933 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)c1ccc(Cl)cc1F 1215838681 RUVMZPZHSOLMAG-QFIPXVFZSA-N 429.923 4.840 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1ccc(Br)cc1C(F)(F)F 1216744074 VOYNZHFSMIENFO-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c(Cl)c1 1220234348 APQRWIFCTMLZFE-UHFFFAOYSA-N 438.833 4.735 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 1251384424 SIODSADHXIQEKW-WMZHIEFXSA-N 439.531 4.597 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1 1264919872 INZWCSUQZOFCCS-JOCHJYFZSA-N 435.524 4.771 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@H](CC#N)c2ccccc2)C1 1271838044 GCUXZHXEHBRRBS-LEWJYISDSA-N 440.385 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](c1cccnc1)C(C)C 1286304457 NEVNKMDQJQSIHA-CVDCTZTESA-N 426.568 4.643 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(F)(F)F)cc1 1286304502 IEZITAHFCXRHCC-ATZDWAIDSA-N 434.506 4.722 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCN1CCCC 1286304904 JNRJUNKUAVUEAC-YADHBBJMSA-N 439.673 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1286561179 LYSQBDGYKCDGSP-LEDOBFOHSA-N 433.556 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1286569587 VQNNYKWJMLGODB-CJFMBICVSA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(OCc2ccccn2)cc1 1286571682 QRQPSCLIZVZANF-UHFFFAOYSA-N 442.567 4.708 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1286587965 WEMAEBOLQYQIDI-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286632389 IFNCBKRLJMHGHX-LPHOPBHVSA-N 441.790 4.938 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286695670 FPTZNAMKGLUAQZ-MOPGFXCFSA-N 437.371 4.602 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCC1 1286699160 PKTYIULVNXHQRK-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@](C)(O)c1cc(C)oc1C 1286747628 MGTWWJOWCAMQAV-DEOSSOPVSA-N 449.580 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccc(C[S@@](C)=O)cc1 1286747979 RPZTXHUZQFQFOM-SSEXGKCCSA-N 442.654 4.757 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286756594 ZXLMCEQOSFNWSB-VGSWGCGISA-N 449.382 4.768 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCCC[C@@H](SC)C2)cc1 1286795466 BNVFILZOMIYXPG-RBBKRZOGSA-N 442.629 4.507 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(F)(F)F 1286795940 NWIDUAKAXVSZQE-UHFFFAOYSA-N 437.853 4.605 30 10 IJEE C#CC[C@H](COC)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1287423625 KQTFYZNOXLNJLS-XWSHUIEDSA-N 445.625 4.551 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccccc2OC)nnc1N1CCC[C@](C)(C#N)C1)OC 1291952783 HIMWKIIOGUMTON-SQJMNOBHSA-N 439.604 4.925 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 1292107318 HKHUWMGILBYMNN-XGAFWQRZSA-N 441.572 4.523 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC 1296313058 MSQXBJSOAKFUDP-PXWJQCMDSA-N 447.453 4.892 30 10 IJEE CN(C)C[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(Cl)cc1 1296983133 GZAFIYCSBRYJEG-DEOSSOPVSA-N 433.939 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCSC1 1300817627 TVDUVTQBIJYXTJ-WZONZLPQSA-N 442.654 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C)CC1 1300895645 UGCWUZVRCYDLRO-BIRZXAFVSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC[C@H](C(=O)OC)C1 1300937272 MYIVDTUKVPFNKU-KRWDZBQOSA-N 440.544 4.778 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN(C)CCCC)CC1 1301066070 NRBIHPNKFATJLA-LJQANCHMSA-N 432.012 4.960 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCS1 1301337575 IQLUOINKWSHCOV-NHCUHLMSSA-N 428.602 4.617 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC[C@H](C)N1CCCCC1 1301351654 XTCIAGDLLWZEIR-NRFANRHFSA-N 448.590 4.936 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCOc1cccc(C)c1 1301436137 PSDWCIATCACJDF-UHFFFAOYSA-N 433.375 4.779 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1301458667 WTFWGLFBYZAVSF-HNNXBMFYSA-N 429.540 4.736 30 10 IJEE C=CCN(Cc1ccccc1F)C[C@@H](O)COc1ccc(Cl)cc1Br 1307426295 FDFKJFCCCIVLKO-MRXNPFEDSA-N 428.729 4.670 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)N(C(=O)CC)CC3)cc1OC 1308533267 KZKCPTOACBCGEK-UHFFFAOYSA-N 445.357 4.934 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccc(OC)c(F)c2)cc1C#N 1310458141 CRUZXPKTGGYGPJ-IBGZPJMESA-N 426.448 4.643 30 10 IJEE C#CCOc1ccccc1NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1310573191 IAEKYQCBKAXRJD-SFHVURJKSA-N 435.524 4.749 30 10 IJEE CC[C@@H](Cc1ccccc1Br)NC(=O)N(CCOC)Cc1ccc(C#N)cc1 1312263816 FFWPBYOYYIBHLA-FQEVSTJZSA-N 444.373 4.500 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1312391089 REPRSRHSFHGBFH-FQEVSTJZSA-N 432.351 4.887 30 10 IJEE CN(C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)c1c(F)cccc1F 1314649990 FWJIRQYIUJCPPM-HYBUGGRVSA-N 442.558 4.647 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccccc1CC#N)c1ccc2c(c1)OCO2 1348806067 LOQPDSSIEGRPLS-UHFFFAOYSA-N 440.499 4.822 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(NC(=O)OCC)ccc1Cl 1351079900 KGKFRFKKZYEBHM-UHFFFAOYSA-N 447.871 4.651 30 10 IJEE C=C[C@H](CC(=O)N[C@H](C(=O)OCC)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 1352806341 RYOWUQUKTOEXHO-CLOONOSVSA-N 449.526 4.709 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C 1353386437 GDWGOANFUJJTEP-JOCHJYFZSA-N 430.589 4.726 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)CCCN1C(=O)OC(C)(C)C 1353929932 MYFWHRWOYSPWMJ-AREMUKBSSA-N 448.567 4.618 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)cc1 1355494499 VMQJSIIPQQCLGT-UHFFFAOYSA-N 441.380 4.716 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1358935222 BBICYKZYNCLQND-FQEVSTJZSA-N 441.004 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCO[C@@H]1CCCC[C@H]1C 1359110057 YVIFHEIBANDKKL-UYAOXDASSA-N 426.561 4.672 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(N(CC)CC)CC1 1359120335 YEASYRZREAJHRR-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1359126656 UVYRPNWIGAOTJC-FQEVSTJZSA-N 439.604 4.612 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccoc1 1359128248 OBWRDQDHHKUKFX-KRWDZBQOSA-N 426.586 4.954 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1359130806 WQSIHHXMSXNSAX-XXBNENTESA-N 433.556 4.529 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2c(C)noc2C)CC1 1359161585 JIHFRRAQEQWWQR-UHFFFAOYSA-N 428.334 4.517 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2CCC)CC1 1359182614 MXCLPNJAMVOBBO-YSTOQKLRSA-N 429.609 4.812 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1359217899 QTKQEUWRODTSTL-UKILVPOCSA-N 431.584 4.834 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H]1CCSC1 1359219554 UYFXAQNRYAGYRQ-INIZCTEOSA-N 437.407 4.528 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)C(C)C)C1 1359314848 IXSOVTJPOUYHGN-FQEVSTJZSA-N 434.588 4.799 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[C@H]2OC)C1 1359316096 IANDWVPEERCKRW-MDNUFGMLSA-N 438.616 4.839 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2c(-c3ccc(Br)cc3)nc(C)n2C)cc1 1360714706 BJGSMNOMLDDKRB-UHFFFAOYSA-N 438.325 4.812 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2C#N)CC[C@H]1C 1436545906 GSCPNGAKVTZKJG-YCPHGPKFSA-N 441.984 4.946 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CSc3nnc(-c4cccc(C)c4)n3CC)cc21 1439757630 QIOLRWLCPJWJGV-UHFFFAOYSA-N 432.553 4.540 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(CC)CC(=C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458727607 BYQLOIWWHRTLTQ-HZPDHXFCSA-N 445.654 4.674 30 10 IJEE C=CCOc1ccc(CN[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1OC 1461376509 AWEJUCPTZQQDEK-YKSBVNFPSA-N 446.950 4.893 30 10 IJEE C=CCN(CC1CCCCC1)S(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 1463102745 ZIPKPGXNMPWIKS-HXUWFJFHSA-N 426.420 4.705 30 10 IJEE N#Cc1nc(NC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)ccc1Br 1467117565 CHOYHOILLPJQBN-KRWDZBQOSA-N 449.736 4.659 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(NCCn2ccnc2)cc1 1468867169 KVDWXEUQURZSHG-UHFFFAOYSA-N 441.329 4.575 30 10 IJEE Cc1nc(SCC(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)c(C#N)c(C)c1C 1468998014 HLUXNQDVHRIPIJ-UHFFFAOYSA-N 441.600 4.994 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2ccc(F)cc2C#N)c2ccccc2Cl)c(C)c1 1475014125 CPFBFIYWCAFVQA-QFIPXVFZSA-N 444.915 4.736 30 10 IJEE C[C@H]1C[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1493311253 FWWVDKOVBVDPAK-DMUMMCEESA-N 441.551 4.501 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN1C1CCCCC1 1507529799 RELZGHFZMNSNAG-XMSQKQJNSA-N 426.008 4.854 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507561351 VNBVYYRPSGMXMW-UHFFFAOYSA-N 445.411 4.773 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C(F)(F)C12CCC2 1507642129 GXHQAXXZHWAIOU-FPOVZHCZSA-N 438.522 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1507764110 KCMCPKAILWEHDS-NOMHHCBYSA-N 449.643 4.702 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(CCOC2)C1 1507912564 RDTOSBZWNBVOJA-QFIPXVFZSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1507943007 YJEINSYRHMPAHH-SFHVURJKSA-N 428.577 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN(C)CCCC 1507975667 VIZYOODPIMENIH-UHFFFAOYSA-N 440.817 4.715 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(Cl)c1 1508036368 NKAQXDPIYZQXRK-OAQYLSRUSA-N 442.947 4.668 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508050765 KGDSJMLFLAZMCH-VWLOTQADSA-N 436.556 4.945 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC(c2cnn(C)c2)CC1 1508107063 XVTUVYIRFXSICR-LJQANCHMSA-N 434.588 4.522 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCCCC2)C1 1508159620 WIEXMSCBPRXHMQ-GOSISDBHSA-N 432.037 4.582 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccccc3C)nnc2N2CCC(CC#N)CC2)c(C)o1 1510551543 GRPSQCCFYYDOTQ-RUZDIDTESA-N 433.556 4.501 30 10 IJEE C=CCOc1ccc(COC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)cc1 1514993963 NGMLRFKJHGHPHQ-UHFFFAOYSA-N 437.805 4.861 30 10 IJEE CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Br)c(C#N)c1 1527149589 DJHHPNSMWFGJCO-UHFFFAOYSA-N 439.313 4.794 30 10 IJEE CCN(CC)c1ccc2nc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)sc2c1 1527531918 BMDKCUPLUDJVIX-UHFFFAOYSA-N 449.580 4.808 30 10 IJEE C=CCC[C@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1 1527817028 VEAXDFXPGWVDEL-GOTSBHOMSA-N 446.513 4.945 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1C1CC1 1538973575 OUZFQIAIKRZBJR-RRPUWOKSSA-N 435.616 4.510 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1CC 1539051952 KDQMJDKEFNKCQN-INIZCTEOSA-N 431.378 4.899 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)=C(Br)C1 1539124554 QEOUJIOYFFYGBP-UHFFFAOYSA-N 433.781 4.815 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCOC1CCCCC1 1539195255 RZGCKTYMZDWGOE-UHFFFAOYSA-N 438.616 4.963 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCCC(C)(C)C1 1539385241 XONCPTQACMPNGF-UHFFFAOYSA-N 449.574 4.747 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1c(F)cccc1Cl 1539628072 MYEIPRXZZUFNJJ-HRAATJIYSA-N 443.954 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)CN1CCCCC1 1539671848 PIBHRSDKFWLPSW-IBGZPJMESA-N 431.575 4.672 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1539785742 ASOWLOGILBWUFZ-KRWDZBQOSA-N 428.920 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCSC2)CC1 1539835945 JLKXJPYDKJHVBG-CYBMUJFWSA-N 425.421 4.679 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOCC(F)F)CC1 1539836419 RFLQGRZLRCYPTG-UHFFFAOYSA-N 447.349 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1539841127 ALUXJEGVDSKALM-UHFFFAOYSA-N 425.577 4.749 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1539906826 UAYXGNOEFZVGGW-IEBWSBKVSA-N 428.577 4.568 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1540029311 PMNZMQOCIVBXJT-CVDCTZTESA-N 438.616 4.839 30 10 IJEE C=CCN(c1nnc([C@H](C)CC)n1Cc1ccc(I)cc1)C1CC1 1540094686 OQINBANFHKNDJP-CQSZACIVSA-N 436.341 4.599 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)C 1540151294 FYKQDGOOCZZRAH-OAQYLSRUSA-N 429.653 4.638 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)c1 1543664352 WGMIIMQTAZXKSP-UHFFFAOYSA-N 434.517 4.540 30 10 IJEE C#CCN(c1nc(CC)nc2sccc12)[C@H]1CCOc2ccc(Br)cc21 1559107789 OYJWQZHMFWBACP-INIZCTEOSA-N 428.355 4.980 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)no2)nc2sc(-c3ccccc3)c(C)c2c1=O 1559353468 GJFMSMNZOGENLI-UHFFFAOYSA-N 437.546 4.891 30 10 IJEE COc1ccccc1N1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 1562432816 GFWOYYKLZDCDQR-LJQANCHMSA-N 446.482 4.899 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1 1563389088 QUIIZNKEYSLCOR-LJQANCHMSA-N 437.544 4.769 30 10 IJEE CC[N+](CC)(CC)CC(=O)N=C1C=CC(=NNc2ccc(N(C)C)c3ccccc23)C=C1 1565524529 IRXAARVNVGBXAH-UHFFFAOYSA-O 432.592 4.644 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CCCC1(C)C 1568326945 XDVDHOYXIJOAED-JOCHJYFZSA-N 442.581 4.703 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 1570552496 IDAUATAWLUQDTH-KDOFPFPSSA-N 439.478 4.639 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 1583418373 MHJSLPCMBVKWRU-HXUWFJFHSA-N 443.588 4.769 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C)c(C)c2)C[C@@H]1C 1587336199 FSSCKCPQOQRNLZ-UNMCSNQZSA-N 429.605 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C(F)(F)C12CCC2 1587561964 JIXPIHAMZMPVEL-RLFYNMQTSA-N 434.918 4.965 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1587657926 XLFOKQBQWCYELK-BHIFYINESA-N 446.643 4.566 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1oc2ccccc2c1C 1587937868 WKSYXMPTFDHBQJ-UHFFFAOYSA-N 441.354 4.941 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](OC)C(C)(C)C 1588194172 QBNBGSQJNGGHNT-JOCHJYFZSA-N 438.641 4.800 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(CC(F)(F)F)CC1 1588271923 RGKXVRZZZOTTSZ-NRFANRHFSA-N 447.549 4.554 30 10 IJEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1ccc(C)cc1 1589088683 FMOMDXBECWRPEJ-NRFANRHFSA-N 437.638 4.650 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1cccnc1)C(C)C 1589171785 SLYCAEXOYBNCDC-RCZVLFRGSA-N 444.539 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(N(C)C)CCCC1 1589599910 PAEQBFPMRCUXFQ-LJQANCHMSA-N 429.584 4.834 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2CCC[C@H]21 1593703043 BIAMXAPPAOVLBU-VQIMIIECSA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2OCCC2(C)C)CC1 1594023229 GEQIANABDRMNKO-GOSISDBHSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1594461182 LJCZAKCQAVDTMU-UHFFFAOYSA-N 436.482 4.838 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)C1CCCCC1)C1CC1 1595065676 VUNMJFLCIDHBCE-SANMLTNESA-N 438.616 4.960 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@H]1CC 1595132883 ACOZJXLJVZGNJK-WOJBJXKFSA-N 439.579 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCOCC1 1595190697 FUJPPDXWCQGWOD-UHFFFAOYSA-N 437.632 4.532 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1595854996 VLFTUSFZDAHRMN-LJQANCHMSA-N 426.561 4.974 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1 1603511036 QWKUODZDZKWXKD-HKBQPEDESA-N 431.517 4.767 30 10 IJEE C=CCCn1cc(C(=O)N(C)Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)nn1 1610902032 MJJHCKQQRMLZEF-UHFFFAOYSA-N 432.858 4.850 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c(Cl)c1 1610915904 DDEBJNCZOXYJCS-UHFFFAOYSA-N 426.307 4.670 30 10 IJEE COCC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1619558315 BHAYULAABWIPFU-UHFFFAOYSA-N 439.604 4.663 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1625927638 FMHJUOFYVVWFTP-FXAWDEMLSA-N 436.512 4.768 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CCn3ccnc3)Cc3cccc(Cl)c3)cc21 1627746572 LZBPEBIBMZISMD-UHFFFAOYSA-N 434.931 4.807 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)c1 1628176155 ZAHMOWSBRBAYQU-UHFFFAOYSA-N 425.456 4.681 30 10 IJEE CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21 1636350256 FVRYTPPQMWHBRA-HNNXBMFYSA-N 448.338 4.948 30 10 IJEE C=CC[C@@]1(C(=O)NCCCc2c[nH]c3ccc(F)cc23)CCCN1C(=O)OC(C)(C)C 1636458610 DVFLSMTYULWRMO-DEOSSOPVSA-N 429.536 4.702 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 1638459022 RTHFBQXBCMKHRG-NRFANRHFSA-N 438.936 4.554 30 10 IJEE N#CCc1cccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 1640867538 CJMQFRQDYNKUIZ-UHFFFAOYSA-N 426.501 4.607 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc2c(c1)NC(=O)CCS2 1642397657 UJYUHHHFJPKEOI-UHFFFAOYSA-N 433.327 4.701 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1644215449 XHRYOPOXDRHAGC-IAGOWNOFSA-N 425.451 4.527 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1645347519 OJMYTIAUAMFXRF-QFIPXVFZSA-N 440.584 4.588 30 10 IJEE CCOC(=O)c1c(NC(=O)COc2c(C#N)cnc3ccc(C)cc23)sc(C)c1CC 1652855709 HVPQYNQAAUHUMU-UHFFFAOYSA-N 437.521 4.541 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(-n3cccn3)cc2C)s1 1653693723 CCOZEJZUGNEMFI-UHFFFAOYSA-N 433.002 4.649 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc2sc(C(=O)OCC)cc2c1 1653728852 LTDVVQDRKLSWRE-UHFFFAOYSA-N 433.526 4.594 30 10 IJEE C[C@H](N[C@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(CCC#N)c1ccccc1 1654569363 GOGPFCHQTYOELQ-KKSFZXQISA-N 440.385 4.997 30 10 IJEE N#Cc1ccc(NC(=O)CCN2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1Cl 1654853428 DWMMMADFRUZNSA-QFIPXVFZSA-N 440.334 4.564 30 10 IJEE C=CCn1c(SCC(=O)NCCc2c(C)cc(C)cc2C)nnc1-c1cccc(C)c1 1656023261 XKLRMHWHMBRJQV-UHFFFAOYSA-N 434.609 4.816 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CC)c2nnc3n2CCCCC3)cc1OC 1657034769 GICWIHRVONLSOD-KRWDZBQOSA-N 449.393 4.581 30 10 IJEE C=CCOc1c(Br)cc(CNCc2c(C3CCC3)cnn2C)cc1OCC 1657694431 YSBXVVQPQGPYRR-UHFFFAOYSA-N 434.378 4.703 30 10 IJEE CCCN([C@H]1CCc2ccccc21)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1659786405 CORWOMXSPRKBSC-SFHVURJKSA-N 437.334 4.548 30 10 IJEE CC(C)(C)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(F)cc1 1661409826 FKXTYVKXWDPJBE-QGZVFWFLSA-N 425.323 4.526 30 10 IJEE COC(C)(C)CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1661514978 BNSQWFDQQRZLBZ-UHFFFAOYSA-N 426.464 4.561 30 10 IJEE Cc1c(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)sc2ccc(C#N)cc12 1663241861 FXMBSCYDWTUDIB-JOCHJYFZSA-N 448.569 4.760 30 10 IJEE CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(Br)c1 1671735494 AMLKRBOOEWIIJU-UHFFFAOYSA-N 428.208 4.883 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc(Cl)cc1F 1673241529 UVKDEAHXUZFFHF-LJQANCHMSA-N 440.931 4.994 30 10 IJEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F 1674197134 AUTVOHOUZRWUEC-FQEVSTJZSA-N 428.483 4.582 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C 1678937416 HMLJYPNUOGLKGP-QFIPXVFZSA-N 449.551 4.773 30 10 IJEE CC(C)[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(Cl)cc1F 1681272872 HJBKMTQQXHZTRD-UGKGYDQZSA-N 428.939 4.596 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C 1682439757 QZRBHTISIKOLPD-OAQYLSRUSA-N 447.624 4.731 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1689858729 PWMCONDIMORHLR-TZIWHRDSSA-N 443.636 4.648 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCc2ccc(Br)cc2C1 1689893178 WETMATSKTTXBDB-UHFFFAOYSA-N 429.406 4.995 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C2CCCC2)CC1 1689901095 BFIRHIGHUIWLRS-UHFFFAOYSA-N 449.643 4.732 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1Cc1cc(C)nc(N2CCCC2)c1 1690266782 JDWYVNJJOZGCIO-UHFFFAOYSA-N 444.627 4.932 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1690410110 ANWONJMUNHQMDN-DEOSSOPVSA-N 430.600 4.662 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690451354 DRCLKWGHKZYWFW-JTHBVZDNSA-N 448.615 4.568 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 1690486833 VKMDDXBYBXGPRR-UHFFFAOYSA-N 431.575 4.672 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CCOc1cccc(C(F)(F)F)n1 1690572333 ZQUXEXYCNVWPTQ-UHFFFAOYSA-N 449.452 4.665 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C 1690581193 MWVSEMATNPADFU-JTHBVZDNSA-N 437.632 4.647 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nc(C)c(C)s1 1694244815 BQQKSTJAKMPIAQ-CVDCTZTESA-N 438.576 4.578 30 10 IJEE CSC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN(C(C)C)C(C)C 1698393886 CCAROUGJMZFYIR-JOCHJYFZSA-N 440.661 4.657 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705595437 SUNPRZQBMIHQBZ-HYBUGGRVSA-N 443.595 4.731 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccccc1 1705678817 QIMKGCLOCSZLGB-BLJFENDVSA-N 436.600 4.656 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(COC)CCCCC2)CC1 1705764597 FSDPNOHLFNAAJF-UHFFFAOYSA-N 425.533 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1705794548 MAEFKWHOFYMCJH-YADHBBJMSA-N 437.632 4.749 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(N(CC)CC)CC1 1705812512 BWAMUXOTDKATTE-UHFFFAOYSA-N 433.604 4.612 30 10 IJEE C=CCCOCCn1c(Nc2cnn(C)c2)nnc1-c1sc2ccccc2c1Cl 1705833111 UTEJKBYPECFGIH-UHFFFAOYSA-N 428.949 4.883 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCC[C@H]1CCCCO1 1705859896 IGFMPGLEYDZCOK-JOCHJYFZSA-N 430.556 4.687 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C1CCCCC1)N(C)C 1705866468 RJSJRANAEIJWRF-RBBKRZOGSA-N 443.661 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705872108 LJTTWPLXKJWWIQ-NHCUHLMSSA-N 432.616 4.736 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1705888845 YEOKHFYOVJHRNK-LESCRADOSA-N 431.378 4.917 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C2CCCCC2)N(C)C)C1 1705918166 DLJZILXKKHZDST-LADGPHEKSA-N 437.632 4.545 30 10 IJEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(CCC)Cc1ccc(F)cc1C 1722481929 CKILFMHCBUWQHH-KRWDZBQOSA-N 437.357 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCO1 1722511895 PQTWMJXVPHODJN-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722587543 SHALKJWFNAKHFS-HXUWFJFHSA-N 448.596 4.762 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCSC1 1722595901 XTUIEVLINIZPJL-GOSISDBHSA-N 428.602 5.000 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(C)s2)cc1 1722706366 SHWGROJIVFBMEC-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(C)C)CC2)ccc1OC(C)C 1729961330 DZBDJKOCYRKVOV-GOSISDBHSA-N 425.577 4.915 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1740573188 MDNGLHJFVIRQHG-UHFFFAOYSA-N 425.310 4.850 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)s1 1740650296 VRQMKGBKEBPTKU-UHFFFAOYSA-N 445.411 4.650 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H]1C 1740687997 JZCIXLGIOUOSME-QZTJIDSGSA-N 433.021 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCS1 1740725611 SJIWUIOVGYZYQF-DHJUGAMNSA-N 428.577 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCC1(F)F 1740734065 PXFAXADSPYETSR-WMZHIEFXSA-N 428.527 4.717 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1740738465 IBAHFKWXFGKPIY-DOTOQJQBSA-N 432.366 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(Cc1ccc(F)cc1)C(C)C 1740756064 FJKPBGJZAJYMGI-NFBKMPQASA-N 437.563 4.819 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CC1 1740833647 VDCUDTKAWPYDQU-QUCCMNQESA-N 443.636 4.984 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cnn(C)c2C)CC1 1740833741 XHCYVOFGPPQSBT-FQEVSTJZSA-N 434.588 4.528 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740859705 PUULSDXPMSCALM-BWAGFHJFSA-N 442.629 4.720 30 10 IJEE C=CCCCCn1c(N2CCC(C)=C(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740866839 PIZCVOIYEYIGMT-BGYRXZFFSA-N 429.609 4.952 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740882201 DHZDLTIJQPNQNM-SJLPKXTDSA-N 445.489 4.721 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)[C@@H](C)CC)C1CC1 1740907765 YDJPLNMKTCQJLR-KSFYIVLOSA-N 447.421 4.968 30 10 IJEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1)c1cccnc1 1741319439 BWDLMPKBWAGDJK-REHUZNOOSA-N 444.583 4.656 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1742865923 FMIBDKSYBRXNMQ-GYCJOSAFSA-N 436.535 4.547 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1743060472 CERDAVHXCZZKND-CYFREDJKSA-N 441.023 4.993 30 10 IJEE CC1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 1743186615 FIMRCHOXOOOVDR-XMMPIXPASA-N 434.632 4.811 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](F)C1 1748550751 ABGJCCKIOAHQOA-AEFFLSMTSA-N 431.943 4.875 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC=C(Br)C1 1748724812 IWCGZNXRTDWNJU-UHFFFAOYSA-N 438.373 4.574 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCSC1(C)C 1748946636 MNPHWMPDCHOJQS-HXUWFJFHSA-N 449.599 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(C)s1 1749122497 WVISDZJWYJAAFC-RBBKRZOGSA-N 433.581 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CC1CCC1 1749134463 ZABZXROYBZHPPO-MBSDFSHPSA-N 430.543 4.755 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749281558 GXZDHGSDAVTYIH-TZMCWYRMSA-N 446.926 4.966 30 10 IJEE C=CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1749420500 HMCGCAHCDREYNY-NRFANRHFSA-N 440.588 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ccc(CC)s1 1749483143 WFFGTBBXLGHINR-UHFFFAOYSA-N 448.596 4.530 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CC1(SC)CCN(C)CC1 1749563367 FJEMCFTWYAQEBF-UHFFFAOYSA-N 432.037 4.604 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C#N)o2)C1 1749700692 MQYIFJKEPQUSHV-OAQYLSRUSA-N 431.540 4.537 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1749718736 ZDRQYCMWDYBQIR-FGZHOGPDSA-N 437.613 4.547 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C(C)(C)O)cc1 1760103619 JDMOMVSUMPTRJN-MSOLQXFVSA-N 448.636 4.865 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 1760131409 ROTDEYRFUFCXPG-RXVVDRJESA-N 430.980 4.736 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760133056 XOXNJYMUZNXSMM-LJQANCHMSA-N 440.954 4.888 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1760144781 BAWDMXPLWFCDLI-VQIMIIECSA-N 431.378 4.545 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@]2(CC=CCC2)C1 1760146474 NKZUCRXGXBIUAA-QFIPXVFZSA-N 442.405 4.786 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCc1csc(C(C)(C)C)n1 1760164146 KXRKEGSWKGPDFV-UHFFFAOYSA-N 433.625 4.814 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCc1cc2ccccc2s1 1760220734 BMMWRZIECPXVFF-UHFFFAOYSA-N 445.617 4.554 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1760275545 ZSZKJRBAEMAEQG-KSZLIROESA-N 433.021 4.920 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@](C)(O)C(C)C 1760291708 ZJJFKLUPLNGEMC-FTJBHMTQSA-N 448.567 4.516 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1760327234 DYLOAOMXPHJMBD-JTHBVZDNSA-N 436.600 4.656 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cccc(OC(C)C)c2)nnc1C(C)(C)C 1760328650 ZBAMAKBJXQSZRH-UNMCSNQZSA-N 426.605 4.980 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1760329449 ZBLJPZNDLRHDIG-OFVILXPXSA-N 439.604 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1OCC 1760330386 AXXSWEPJGAAHCN-UHFFFAOYSA-N 444.377 4.885 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccccc2Cl)CC1 1760397326 QRZNTCXOQRLCLU-XMMPIXPASA-N 445.007 4.617 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCC[C@@H]2CCCCO2)CC1 1760406120 SXZUGDLSDYIXLB-NRFANRHFSA-N 440.588 4.617 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1760417687 GZJSQBSONOYLHK-RBUKOAKNSA-N 434.506 4.921 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](COCC)C1 1760436963 MPUGFOHXQMNYME-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1760480602 ZKKRQVVFZILENZ-FXSPECFOSA-N 449.599 4.932 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1760561508 CFQXJNHSDMEYNT-UHFFFAOYSA-N 430.618 4.657 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(OC(F)F)c2)n1CC(F)(F)F 1761074806 FQOHPWROXNEERZ-UHFFFAOYSA-N 431.409 4.875 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)C(=O)O 1858944464 CTOXFNNVXOABPH-QRQCRPRQSA-N 445.475 4.551 30 10 IJEE COC(=O)c1c(C)oc(NC(=O)c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1C#N 1859742046 NZVZQQUEXKIGNP-UHFFFAOYSA-N 435.823 4.960 30 10 IJEE N#Cc1c(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)sc2c1CCCC2 1859743087 XNAAZRKZVGXDIA-UHFFFAOYSA-N 429.295 4.620 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CC)ccc1O 1862386809 WTJLXJNXACMQPW-SFHVURJKSA-N 436.291 4.696 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)ccc1O 1862419194 RAEPMIMBHRTWPE-OAQYLSRUSA-N 445.462 4.694 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Cl)c1)c1cccc(Cl)c1 1862446336 PYNJHDQKZODDNH-HKUYNNGSSA-N 432.303 4.751 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2c(F)cc(F)cc2F)=C(O)C(=O)N1CCCOC(C)C 1862456461 SAMRHRFIBQZBAK-OAQYLSRUSA-N 447.453 4.806 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 1862536795 HQRBSMOSXRYHJF-QHCPKHFHSA-N 447.531 4.947 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OCc2ccccc2C)cc1 1862571184 UXUBXBHFKDMVQU-DEOSSOPVSA-N 442.515 4.754 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 1862594739 VUEPLZQLWDHLBO-QFIPXVFZSA-N 448.475 4.769 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 1862625294 CPJNMYYARACNQI-HSZRJFAPSA-N 449.503 4.812 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(N(C)C)cc2)c1 1862701405 DAWDHAXOLJSITE-QFIPXVFZSA-N 448.544 4.601 30 10 IJEE COc1ccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(F)cc3)C2=O)cc1Cl 1862750313 PWJIWGUPSGJSLT-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1863216407 KYMFVVSTBRSSKS-GOSISDBHSA-N 437.499 4.910 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCc3ccc(F)cc3)C2=O)c1 1863402249 RVKDAXLVZHZGTF-UHFFFAOYSA-N 439.490 4.749 30 10 IJEE N#Cc1cccc(NC2=C(c3cccs3)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)c1 1863478273 RHHPOLQVDDDRQA-UHFFFAOYSA-N 429.545 4.781 30 10 IJEE CCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCN(C)C)C1=O 1863626676 AXSDFLZUBPVKEQ-UHFFFAOYSA-N 440.415 4.585 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2c[nH]c3ccccc23)C1=O 1863817499 YKEHQTNJYZEDSQ-ZCZKMIILSA-N 429.564 4.628 30 10 IJEE C[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)cc1 1867117206 NOBJTGRIKYTCMN-IIBYNOLFSA-N 433.458 4.502 30 10 IJEE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccccc4C#N)nc(C)n3)CC2)cc1C 1868490742 RDFHELOMTFCACZ-UHFFFAOYSA-N 441.535 4.817 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 1870145673 KQLNXKPMFQXGNL-SFHVURJKSA-N 447.539 4.847 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CSC(C)(C)C 1870250013 DMKLSCREKVHBPB-UHFFFAOYSA-N 428.598 4.954 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCC[C@@H](C)C1 1870517438 GSKRPMGZJDGXOI-JOCHJYFZSA-N 447.664 4.736 30 10 IJEE C=CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(F)c(Cl)c2)cc1=O 1870812738 HUNXNGRPYXESCE-UHFFFAOYSA-N 435.971 4.940 30 10 IJEE CC(=O)Nc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)cc1 1871251818 XYWPGIGXOWRKFJ-UHFFFAOYSA-N 444.535 4.525 30 10 IJEE CCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871400269 SEPFFGIVOLYJMB-FMCGGJTJSA-N 449.503 4.834 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)o1 1871439410 YBHXFDDAQNCBTM-MTJSOVHGSA-N 449.415 4.868 30 10 IJEE O=C(CCOc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)Nc1ccccc1 1871447014 MQYDANWOAMVBEG-HMAPJEAMSA-N 430.416 4.619 30 10 IJEE Cc1c(OCCC(=O)Nc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871447579 YNRIRBIUHUUQOD-UCQKPKSFSA-N 443.455 4.748 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1O/C(=C\c1cccc(F)c1)C2=O 1871461738 AQZMFRSJVJHMIT-HAHDFKILSA-N 448.446 4.751 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CC(O)C2)n1 1871665457 SXWOOADEYJUZSL-UHFFFAOYSA-N 447.027 4.732 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1871868812 GPNJHUUWRXFQAP-GOSISDBHSA-N 434.989 4.859 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1 1872613371 PRYGRVHGYZJDLA-OAQYLSRUSA-N 428.614 4.776 30 10 IJEE N#C[C@@H](C(=O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2Cl)cs1 1872764510 OSWVCMFZCIBKLZ-KRWDZBQOSA-N 449.919 4.716 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2c(C)cc(C)cc2C)C1=O 1873118411 RGSOYUZZBWELCI-UHFFFAOYSA-N 441.660 4.984 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cc2ccccc2n1C 1873501292 YYBFFUIAYQDXNB-OEAKJJBVSA-N 434.525 4.805 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccccc1)n2Cc1ccccc1 1873583296 ROQKFUZRXADWSA-UHFFFAOYSA-N 437.547 4.588 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(C(C)C)cc1)n2CCOC 1873657014 SGRQOPFYNLIKJK-UHFFFAOYSA-N 433.556 4.632 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1c[nH]c2ccccc12 1874239109 PUHCVVDXNJVCBJ-MFKUBSTISA-N 433.537 4.528 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2/N=C/c2ccco2)cc1 1874290514 OVZMHXYBHQEECG-ZVHZXABRSA-N 434.521 4.942 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(OC)c(OC)c1 1874327650 DHNWLYNLEFFYTB-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1ccc(Cl)cc1 1874414587 ZNAXQBZRNCCBIA-SSDVNMTOSA-N 449.001 4.757 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)c(OC)c1 1874443869 NDTBXICMXOEQLR-LSCMLXDISA-N 438.553 4.630 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1/N=C/c1c[nH]c2ccccc12 1874519498 VZSAQMVOWHVQDR-LGJNPRDNSA-N 444.564 4.867 30 10 IJEE Cc1cc(OCc2nnc(S)n2/N=C/c2ccc(Br)cc2)ccc1Cl 1874568049 FFKCZHLLNACEKT-AWQFTUOYSA-N 437.750 4.752 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(F)cc1Br 1898224648 LCLIYSJHRJDTLA-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)c1cccc(C#N)c1 1901535666 VTYQYCSGWKIGRQ-RUZDIDTESA-N 439.515 4.838 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1CC 1922056856 GHHZRJDDGGXSAE-FXSPECFOSA-N 446.632 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@](CC)(NC(=O)OC(C)(C)C)C(F)(F)F 1939654516 DNFUYSWWPUHTFY-RXVVDRJESA-N 430.511 4.973 30 10 IJEE Cc1cc(Br)c(F)c(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 1965483327 ZDKAOJJQOBKWSQ-CYBMUJFWSA-N 426.135 4.595 30 10 IJEE N#Cc1ccc(Br)cc1N[C@H]1CN(C(=O)OCc2ccccc2)CC12CCC2 2043997272 IANFRKVWFBCIRM-FQEVSTJZSA-N 440.341 4.924 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2sncc2Br)C1 2062977752 CUTMADFZUWBSBK-OAHLLOKOSA-N 430.412 4.807 30 10 IJEE CN[C@@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC2(CCC2)C1 2063638142 OYQLQTVPIWRLAS-IAPPQJPRSA-N 430.640 4.825 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1)NCCC 2065383099 ZLLNGCUDCNTVDE-PKTZIBPZSA-N 444.616 4.686 30 10 IJEE CCc1nn([C@H](CC)c2cc(C)c(C)cc2C)c(I)c1/C=N/O 2079124884 JRCJNMYWYFZOCP-YEWRBRKMSA-N 425.314 4.783 30 10 IJEE COC(=O)c1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079196203 CVMIPLIFFIIAQY-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE CCc1nn([C@H](c2ccc(OC(C)C)cc2)C2CC2)c(I)c1C#N 2080113305 MVMMJIMFQMAOCF-SFHVURJKSA-N 435.309 4.708 30 10 IJEE CC[C@H](C)[C@H]1CSC(=Nc2ccc(Br)c(I)c2)N1 2081319678 QLMPFFFJNAIBEU-QPUJVOFHSA-N 439.160 4.792 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(F)c1F 2089291836 MZGCIXQSVBBFHN-PBHICJAKSA-N 431.321 4.685 30 10 IJEE CC[C@H]1CCN(Cc2ccc(Br)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 2174563751 AMMKNUYBRUVJBV-KXBFYZLASA-N 436.394 4.836 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccccc2CN1Cc1ccc(Br)cc1C#N 2174627244 WDIVINFFKMWGQL-UHFFFAOYSA-N 428.330 4.989 30 10 IJEE C=CCC1(NC(=O)c2cccc(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 2174762158 XYIUUUCCBJUCAA-UHFFFAOYSA-N 441.341 4.664 30 10 IJEE N#C[C@H]1CN(Cc2c(Br)sc3ccccc23)CCN1Cc1ccccc1 2224701035 VIXLRYYUWPQWJG-KRWDZBQOSA-N 426.383 4.874 30 10 IJEE C=CCN(CC[C@@H](NCC)c1cc(Br)nn1CC1CC1)C(=O)OC(C)(C)C 2233340627 ZDVWSWDZJDTKHR-MRXNPFEDSA-N 441.414 4.519 30 10 IJEE N#Cc1ccc(Br)cc1NCCc1cccc(I)c1 2273804119 UHDDRFXARNYGQO-UHFFFAOYSA-N 427.083 4.580 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@@H](O)C#CC1CCCCC1 2289619340 HYAXIVWOVSXHIA-PMACEKPBSA-N 436.390 4.830 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 2296298869 ONZVFBYPAOEFNY-VAMGGRTRSA-N 433.390 4.567 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccc(Cl)cc1 2297745692 XQSPSXWFJGKCJV-FQEVSTJZSA-N 434.835 4.875 30 10 IJEE Oc1c(C=NCCCn2ccnc2)c(-c2ccccc2)nn1-c1nc2ccccc2s1 2297747502 DKTQZVGUFYQSGA-UHFFFAOYSA-N 428.521 4.560 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C(C)(C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317346983 PRGFVOUILPGAFF-VUSFMPOISA-N 432.370 4.797 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2321193318 UHQKNWBUZRWBRY-CYBMUJFWSA-N 448.379 4.745 30 10 IJEE Cc1ccc(Cc2nnc(S)n2N=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)cc1 2321968434 JBAVDTWWRSXGFM-UHFFFAOYSA-N 446.507 4.707 30 10 IJEE COc1ccccc1C(=O)C=Cc1cc(Cl)ccc1OCC(=O)NCc1ccco1 2322481618 UOHRBWNAOISANI-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2cccc(Cl)c2)c1OCCCO 2322527922 YJJAGGHWFUIQKA-UHFFFAOYSA-N 425.706 4.768 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2C=CC(=O)c2ccc3c(c2)OCCO3)c(C)c1 2322667286 BIGFNAILBVOOIF-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cc(OC)ccc2OC)C3=O)cc1 2322687610 ZALLGBVQELCPEC-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1OCC(=O)NCc1ccccc1 2323138682 CYOSWZLLNZGNRH-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2324406311 GYBAJMKEJBUDFJ-INIZCTEOSA-N 444.443 4.925 30 10 IJEE CCOC(=O)c1ccc(NC(=O)C(=O)C=Cc2cccc(OCc3ccccc3)c2)cc1 2325669293 MNKOTOUWADZPPR-UHFFFAOYSA-N 429.472 4.663 30 10 IJEE CC(=O)Oc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 2326231962 BGVVOICAMFUESA-UHFFFAOYSA-N 442.544 4.969 30 10 IJEE COc1ccc(Br)cc1C=Nn1c(C)nnc1SCc1ccccc1F 2326263341 QSUBGIJBABZDMX-UHFFFAOYSA-N 435.322 4.671 30 10 IJEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2326688843 ADUALOFOZKZJEO-UHFFFAOYSA-N 439.544 4.815 30 10 IJEE CCOc1cccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCCO)c1 2327785540 BYZXCNWLXHFNGS-UHFFFAOYSA-N 446.576 4.778 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(CC)cc1 2327853097 FNUFNTARGCZXAY-LJQANCHMSA-N 425.602 4.505 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1O 2330552327 MLAUQAFSKNISAR-UHFFFAOYSA-N 449.561 4.634 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc(Cl)c1 2330690180 FZWILJWLEOQVPA-UHFFFAOYSA-N 428.945 4.772 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C(F)(F)F)cc1O 2331151972 MKDQLNFISDOGTJ-UHFFFAOYSA-N 442.850 4.839 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1 2331276293 GAGMFMNWFKXMET-UHFFFAOYSA-N 447.443 4.792 30 10 IJEE CCOc1ccc(C=Nn2c(CCOC)nnc2SCc2ccc(Cl)cc2)cc1 2331304891 REJIPQTVJCXWIR-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE CC#CCN(C[C@@H](Cc1ccc(Cl)c(Br)c1F)NC)C(=O)OC(C)(C)C 2337911501 FTXAOYALUOQCLE-CQSZACIVSA-N 447.776 4.633 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339577472 SWSBLJBCYAMDCL-LJQANCHMSA-N 444.381 4.895 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578245 DTRZANFOFZRUNQ-KICKTSRDSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)NC1(CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339594551 WJUIOGGQJIABGE-UHFFFAOYSA-N 444.381 4.943 30 10 IJEE C[C@H](CN(C(=O)OC(C)(C)C)C1CC1)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339600233 MMZMDLLACBQBRT-QGZVFWFLSA-N 444.381 4.893 30 10 IJEE O=CC1(Cc2ccc(I)c(Br)c2)CCC(F)(F)CC1 2349919885 CONTVDPBESGNPL-UHFFFAOYSA-N 443.069 4.991 30 10 IJEE C#CCCCCCCC(=O)Nc1ccc(Br)cc1I 2352583426 SAMIQQDIZTYHAK-UHFFFAOYSA-N 434.115 4.966 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2360195765 CCTKVHQJTAMYTN-ZJBJCVSYSA-N 432.358 4.843 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(=S)[nH]c(O)c1[C@@H]2c1ccc(Br)cc1 4793585 UDXLLTWLSOCOTK-CYBMUJFWSA-N 432.343 4.808 30 10 IJEE O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1ccc(Cl)cc1Cl 21084520 ITFVKTOGCFTWFK-UHFFFAOYSA-N 427.361 4.964 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC)c(Cl)c2)cc1 21254867 FXVMMIQOTXIBQZ-FUHWJXTLSA-N 425.912 4.752 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)c1 33445829 WJETUJQQVQMNMQ-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE Cc1ccc(/C=N/Nc2nc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)cs2)cc1 33960169 AZXLTLNRCSFEIV-HZHRSRAPSA-N 440.594 4.739 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccccc2OC(=O)c2c(OC)cccc2OC)c(OC)c1 34955427 FDPBRZUDBADDRE-QINSGFPZSA-N 448.471 4.836 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nccs2)c1 38725821 AIVZWGYEQQLPGU-FQEVSTJZSA-N 446.484 4.573 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1 59015277 ZHUGATHYGMEJBN-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)Cc1ccc(Br)cc1 63402626 YNHIGDWTQWNTND-OAHLLOKOSA-N 432.318 4.686 30 10 IJEE CCOC(=O)Cc1csc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1 98002163 UIOZMFBMLUMOFD-YQNUULROSA-N 430.595 4.610 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 110339922 ZPPSSGYUOJHKNP-UGKGYDQZSA-N 448.498 4.557 30 10 IJEE CCCCCCOc1ccccc1C(=O)/C=N\n1c(S)nnc1Cc1cccs1 169913954 SWWXYYLFLOFUMV-JCMHNJIXSA-N 428.583 4.895 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccc(C)c2)c1 169967275 KXUUGXIWQFLDHR-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccnc2)ccc1F 170013242 RVUVFFVPYKNTFM-HXUWFJFHSA-N 445.475 4.922 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(OC)cc2C)[C@@H]1c1ccc(N(C)C)cc1 170129050 IVCCDZIIMBXKQE-QHCPKHFHSA-N 436.552 4.756 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccn2)cc1 170182479 MGEVNIFIHXFYIL-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 170229508 CUFFRFAVFGHLFH-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)c1 170230938 NDWYFYKGTSGZEG-HSZRJFAPSA-N 428.488 4.647 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccco1)c1cc2cc(Cl)ccc2o1 170292484 UJFZKJIGBUEXHP-FQEVSTJZSA-N 434.835 4.853 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(C)o2)c1 170301119 CKBZHYBJXJZOHU-FQEVSTJZSA-N 439.851 4.739 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccc(C)o1 170310472 KSBLIJRXXJIHEN-OAQYLSRUSA-N 441.524 4.607 30 10 IJEE Cc1cc(C)c2onc(CC(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c2c1 170509527 BPUHZNVDDZOJMP-UHFFFAOYSA-N 436.475 4.540 30 10 IJEE CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Br)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 256518022 ZNELXLYMMBIRSK-XJYXPMMHSA-N 449.385 4.908 30 10 IJEE N#Cc1cc(F)cc(CNc2ccc(I)cc2Br)c1 311973255 RDNKONXBFJOSOP-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CS)cc1Br 394591263 ZPCFGNJHXQGTER-DLBZAZTESA-N 436.371 4.740 30 10 IJEE C=CCN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1nc(C(=O)OCC)cs1 409818456 WHGXMRJHOJIHGY-UHFFFAOYSA-N 441.557 4.602 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1)c1ccccc1 428990832 IAXLFXQMJXWHIQ-LJQANCHMSA-N 427.570 4.916 30 10 IJEE C=CCC[C@H](NC(=O)NCc1nccn1CC(F)(F)F)c1ccc(C(F)(F)F)cc1 440774122 WEZMPRRHPHASBU-HNNXBMFYSA-N 434.384 4.971 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 460384811 DGDIBSWPDPKBSW-XUZZJYLKSA-N 446.551 4.889 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1ccccc1Br 460789651 YQSFXCPTYLPMDB-INIZCTEOSA-N 426.362 4.800 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](c2ccsc2)C1 508728364 ACXZIGNOYUEOOT-DYESRHJHSA-N 440.569 4.642 30 10 IJEE COc1ccc(OC)c([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2C#N)c1 526606648 HYYCYFRBUOTVCD-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC)c(OC)c1 526823646 ZSFQUUCYCXWULR-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1[N+](=O)[O-] 526829577 PSUSIXOREMZYHU-BKUYFWCQSA-N 440.485 4.612 30 10 IJEE COc1ccc(F)c(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 531274835 UVLGFWFXLJPSFH-UHFFFAOYSA-N 441.299 4.969 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cccc(C(C)C)c1 733202654 VBVCXJQGBSJFEX-NRFANRHFSA-N 437.540 4.933 30 10 IJEE CC(C)(C)c1cc[n+](/C(C(=S)NCCc2cccnc2)=C(/O)c2ccc(C#N)cc2)cc1 762441862 ZGPDKIMKMHYPMM-UHFFFAOYSA-O 443.596 4.582 30 10 IJEE COc1ccc(CNC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1C#N 766628691 HBFIQRADFOKTCT-GOSISDBHSA-N 436.512 4.706 30 10 IJEE N#Cc1cccc(COc2cccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2)c1 794710471 HZRKNPPWOIHKFB-WSDLNYQXSA-N 429.863 4.888 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 800787665 KVXDLPBFTCFQRE-INIZCTEOSA-N 431.968 4.526 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Br)cn2)no1 904844735 OFOQFFUABGCNFJ-GFCCVEGCSA-N 429.702 4.603 30 10 IJEE C=CCOc1c(Br)cc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)cc1OCC 914795490 NXEYBIALKXNZFP-SFHVURJKSA-N 437.721 4.920 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cc(Br)c(N2CCCC2)o1 1084318575 OWSAURHMMCZHGP-XNTDXEJSSA-N 436.306 4.673 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cc(F)ccc2C)n[nH]1)c1ccc2ccccc2c1 1084438399 BVWNGWWJXXHZLC-UHFFFAOYSA-N 448.527 4.972 30 10 IJEE C#CC[C@@]1(C(=O)N(C)Cc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1124852944 JTQJBGALGXBGEB-NRFANRHFSA-N 425.356 4.745 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 1124948887 DBUNMTWHBGMANT-DEOSSOPVSA-N 431.442 4.871 30 10 IJEE CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1125115893 ABTUXEGISKSWAH-NRFANRHFSA-N 431.502 4.736 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)c1 1125779151 HLVGADYCVYYSHK-UHFFFAOYSA-N 436.433 4.945 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)CCCN1C(=O)OC(C)(C)C 1125953742 UDKCOJJHIAMXQY-DEOSSOPVSA-N 439.487 4.745 30 10 IJEE C#CC[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccccc1 1137622803 YROAOGPHWDXNBT-YADHBBJMSA-N 436.552 4.922 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(Br)ccc(Cl)c2[nH]1 1143662561 CUNZBAAABKIJHB-UHFFFAOYSA-N 446.732 4.744 30 10 IJEE C#CCOc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O 1154541043 HTPPDYQHXSJIHB-UHFFFAOYSA-N 435.789 4.514 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cc1 1156688040 NNFKOKRCUVLGTM-FQEVSTJZSA-N 427.342 4.568 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(Cl)c(Cl)c1 1159917361 GECHASQHJVCUSC-KRWDZBQOSA-N 431.360 4.738 30 10 IJEE C=CCN(Cc1nc2ccc(Br)cc2o1)[C@H](Cc1ccccc1)C(=O)OCC 1169293372 UMCUAFPCPSVMHW-LJQANCHMSA-N 443.341 4.753 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc([C@@H](O)C(F)(F)F)cc3)c2)cc1 1171648999 BMDPDTIFHGWEIS-OAQYLSRUSA-N 426.394 4.985 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1)c1ccc(Cl)cc1F 1196812890 LGUHDWKGHYKMRJ-LJQANCHMSA-N 449.357 4.770 30 10 IJEE Cc1ccc(N2CCC[C@H](NCc3cccc(OCc4ccccc4C#N)c3)C2=O)cc1 1200802321 FYUPCGGGEXRBIJ-SANMLTNESA-N 425.532 4.731 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCN(c2ccccc2)CC1 1206194381 ILCBJWINGOITRT-UHFFFAOYSA-N 430.346 4.804 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)N[C@@H](CCc3ccccc3)C(F)F)CC2)c(F)c1 1208789539 DQGBMHWIHXXLPI-FQEVSTJZSA-N 431.458 4.517 30 10 IJEE CCCc1ccc([C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)C(C)C)cc1 1209075349 AASBNBIUIMLYMT-HXUWFJFHSA-N 435.387 4.949 30 10 IJEE C#CC1(O)CCN(C(=O)NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)CC1 1221833185 ONJPOYCUHLMMIF-URORMMCBSA-N 436.640 4.990 30 10 IJEE C=CC1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)CC1 1265169529 GLLCEUWYQKAWOZ-AZGAKELHSA-N 432.564 4.913 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CCC(=O)N(c4cccc(F)c4)C3)c2C#N)[C@@H](C)C1 1273946215 GOOUEBQHNGKESF-KKUMJFAQSA-N 425.529 4.826 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@@H](OC)C(CC)CC 1286365570 DCXQQEYQJLGJMM-LJQANCHMSA-N 433.394 4.618 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1nc(C)cs1 1286365747 INQCIEVVPGAQLU-GJZGRUSLSA-N 425.627 4.769 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286500701 CEJYUKVZQGYMAE-OALUTQOASA-N 433.021 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1Br 1286555944 MSJJJDJASXXKMK-HKUYNNGSSA-N 431.378 4.536 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1286643752 UOVRBZBOUGRQDY-UHFFFAOYSA-N 443.473 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1286675604 QLGLQNHTFDVYTC-NRFANRHFSA-N 425.621 4.607 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C)C1 1286696184 WKWDEOJWLADARZ-ZDUSSCGKSA-N 425.371 4.755 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCc1ccncc1 1286756028 OIWKZLIJPIRSKS-UHFFFAOYSA-N 442.336 4.663 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCn1nc(C)cc1C 1300282295 HBMSGZSDVNOSFF-SFHVURJKSA-N 436.629 4.637 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cc(C(CC)CC)no1 1300316806 DZFPEFSWYVKJRU-KRWDZBQOSA-N 430.556 4.748 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC=CCC1 1300561142 MBBSFZKRWDJGMA-QGZVFWFLSA-N 441.348 4.666 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1Cc1nccc(C(F)F)n1 1300788358 XXQXNDKUQOBGKR-HOYKHHGWSA-N 436.510 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)Cc1cccs1 1300816978 ZMFCQZUAPXFZAL-MHECFPHRSA-N 438.572 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CCn1cc(Br)cn1 1300906688 RTWRKHRTQSQYLY-UHFFFAOYSA-N 443.393 4.569 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)CN2CCCC2)CC1 1301065966 LFYIAABVTZZUKR-NZQKXSOJSA-N 437.632 4.923 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCCN(c2nccs2)CC1 1301190157 NUSMBJAPTSOKHC-UHFFFAOYSA-N 436.629 4.707 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(F)F)C1 1301245461 IEBLAVLQLJXCES-OAHLLOKOSA-N 440.922 4.681 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCOc1ccc(Cl)cn1 1301350018 RJRGUGMGJWHQGI-UHFFFAOYSA-N 429.927 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1301357298 MQOKJXXHGVDELB-QGZVFWFLSA-N 447.649 4.991 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CSCCS1 1301402204 KJUQXNYCYFRBCL-HXUWFJFHSA-N 430.687 4.950 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(F)ccc1SC 1301414433 CNCXMUPLMZZIJI-UHFFFAOYSA-N 447.967 4.542 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1301438005 FVUNRGUIWZDCFB-RBUKOAKNSA-N 445.405 4.986 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](C)C2)C1 1301566117 MQOWRSWDJDMCQR-WAOWUJCRSA-N 430.980 4.728 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@H](C)[C@H]1C 1301620490 FWMREUJZZXWFRE-RTBURBONSA-N 432.659 4.723 30 10 IJEE N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCC[C@H](O)C2)c1 1302982216 GORRPFILWDNDAJ-QUCCMNQESA-N 447.505 4.537 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1 1303155723 GFPHIUXGNSXOBD-UHFFFAOYSA-N 434.565 4.813 30 10 IJEE CC(F)(F)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1303933081 FSFAYHDMFGFHLD-UGKGYDQZSA-N 429.515 4.810 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1304076858 FZVHPXUXUZRDIA-WOJBJXKFSA-N 446.599 4.723 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@@H](C)CC#N)CC1 1305104229 CJUDIITZMAZICQ-KRWDZBQOSA-N 432.975 4.598 30 10 IJEE CC[C@@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCCCC1)OC 1305358658 HLOFBIIPSIMFHA-XMSQKQJNSA-N 425.577 4.559 30 10 IJEE C=CCOc1ccc(C(=O)Nc2n[nH]c(C)c2-c2ccc(Br)cc2)cc1OC 1306083538 KKXMJPDQGNMISN-UHFFFAOYSA-N 442.313 4.973 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@H](CC)C2)on1 1306408686 DXKIGAMJZLXMHI-DYESRHJHSA-N 448.571 4.760 30 10 IJEE Cc1cc(C)cc(-c2cc(NC(=O)CN3CCC[C@](C)(C#N)C3)n(-c3ccccc3)n2)c1 1307601382 HBVZXLLEDNZRPV-AREMUKBSSA-N 427.552 4.720 30 10 IJEE Cc1cccc(Oc2ccccc2CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 1311906892 BLZLBJHYHHSKMB-UHFFFAOYSA-N 442.563 4.932 30 10 IJEE C[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)NC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 1312478445 HCFCVUPYFVXKKC-KOSHJBKYSA-N 446.551 4.739 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](C)C1 1316091321 HBWMTESFPCEBCQ-GHTZIAJQSA-N 433.556 4.807 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(OC(F)(F)C(F)(F)F)cc1 1342192829 QJYXNTIXXKZICZ-UHFFFAOYSA-N 434.361 4.916 30 10 IJEE C=C(C)CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1 1353150191 ONECGUQHXWZSNR-UHFFFAOYSA-N 434.533 4.943 30 10 IJEE C=C(C)[C@H](CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)OCC 1353536012 ZHEOTAXINBQHDB-RTWAWAEBSA-N 433.017 4.988 30 10 IJEE CC[C@H]1[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CCN1C(=O)OC(C)(C)C 1356209196 BVYRSWFIIRMXAT-PMACEKPBSA-N 436.512 4.720 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1358878340 VEXKCOPFBFWWDC-ABSDTBQOSA-N 445.405 4.761 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)CCC(C)C 1359001868 GLAATTKXFFBTSA-MHZLTWQESA-N 447.627 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1359071054 BLPKZIGUUSGFDP-ROSOWXQZSA-N 438.591 4.841 30 10 IJEE C=CC[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N)c1ccccc1 1359195026 FQPRKOGVEXWKPU-IFMALSPDSA-N 439.567 4.615 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1359224466 RZLGPZYAOSHRIK-WIYYLYMNSA-N 437.975 4.969 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCCN1CCCC[C@H]1C 1359263315 XYZACBZESGGMFO-HXUWFJFHSA-N 438.645 4.802 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1CCc1nc2c(s1)CCCC2 1359269432 BGMSWGGMCPSCHD-UHFFFAOYSA-N 435.597 4.710 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N[C@@H](C)c2ccccc2)C1 1359316782 WJXXNCGREQCFIC-RBBKRZOGSA-N 449.599 4.757 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCOC1CCCCCC1 1359475296 HLDSOJWKZLLEHR-IBGZPJMESA-N 434.588 4.685 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)COc1c(Cl)cc(Cl)cc1Cl 1359835271 CYBLNGCTBZGCJM-UHFFFAOYSA-N 427.715 4.572 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2C)c1 1359975233 RUWCVKXBWPGENJ-KKSFZXQISA-N 432.973 4.640 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1437072354 SLHCINMVESTBPI-AGHHOFFYSA-N 426.919 4.658 30 10 IJEE C=C(CC(C)C)C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 1442801936 LRTPTQKINTVROA-LJQANCHMSA-N 433.321 4.987 30 10 IJEE C=CC[C@]1(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)CCCN1C(=O)OC(C)(C)C 1459760228 GMAVKUZSNLISOM-JOCHJYFZSA-N 446.548 4.937 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1460090478 PDPGDXZOKOYHGK-QFIPXVFZSA-N 446.636 4.648 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccc(Cl)cc1F 1460791376 UTRJDGLCBOIVMA-RTWAWAEBSA-N 430.907 4.611 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC=CC[C@H]2C)ccc1Cl 1463360559 ZHOFIYMLXLNHQQ-DYESRHJHSA-N 444.984 4.806 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)c1 1467518737 DFTSJRHKVMDDCJ-IBGZPJMESA-N 438.528 4.714 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 1468147896 OPTOBZBJGOSLNC-MWTRTKDXSA-N 433.458 4.952 30 10 IJEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1469321643 CRROTVUYNDKJEQ-NRFANRHFSA-N 428.577 4.531 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1)c1ccc(Cl)cc1F 1469363930 XFVARZYXPMWOMY-KZULUSFZSA-N 430.842 4.711 30 10 IJEE C=CCn1c(SCc2cc(C=O)ccc2OC)nc2sc3c(c2c1=O)CCCC3 1472931453 NGTSIGDQALIMKW-UHFFFAOYSA-N 426.563 4.636 30 10 IJEE C=C(C)COc1cccc(NC(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)c1 1476104469 VQXGUXGEYDDYJT-SFHVURJKSA-N 439.339 4.852 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)cc1 1476754851 GVIFUYRXZPYTOP-MJGOQNOKSA-N 440.956 4.638 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1507540913 GSNVJOUAPTUEQM-NIRIFSCTSA-N 447.652 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@H](SCC)C1 1507797855 SXJCIGSLKBOJOC-DYXWJJEUSA-N 430.618 4.940 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1507847033 DRAIVACWHXKVOX-VWNXMTODSA-N 438.616 4.824 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507900572 QCYSRPURPJBAGB-FQEVSTJZSA-N 443.039 4.764 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OC(F)(F)F)CC1 1507902324 WWJLCRVSAZNXJT-UHFFFAOYSA-N 443.473 4.613 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1507917097 YLYVEXWTCPMKDI-HXUWFJFHSA-N 426.561 4.877 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1507940917 HLQKVHPBEGFSHC-QUCCMNQESA-N 429.996 4.540 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCCC2(F)F)C1 1508118407 VJYBYUZDWMLAHM-UYAOXDASSA-N 432.515 4.561 30 10 IJEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@H]1CC 1514252938 CGSGEHLIAUUNHS-YKSBVNFPSA-N 435.597 4.943 30 10 IJEE CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1sccc1Br 1515653276 FFTKWLLHUXFLHJ-UHFFFAOYSA-N 442.386 4.925 30 10 IJEE O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 1519371192 CIYPPMXEZKEOAT-OAHLLOKOSA-N 446.326 4.849 30 10 IJEE C=C[C@H](COC)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1524079820 UPCGYFAAZOGCGX-HXUWFJFHSA-N 446.938 4.731 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(C(=O)N2CCCCC2)c1 1524999366 HTTZPWHUGPIZHI-UHFFFAOYSA-N 440.503 4.932 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)s2)c(C(F)(F)F)c1 1525302588 HSOXUUIYYJYFCY-DLBZAZTESA-N 428.439 4.762 30 10 IJEE N#C[C@H]1CCC[C@H](OC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 1528079412 BGNLSGIEEHXYLZ-YOEHRIQHSA-N 428.330 4.753 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 1528555438 HNRKKBBAIOJKDC-LKUPVBHCSA-N 444.984 4.640 30 10 IJEE C[C@@H](NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1ccc(C#N)cc1 1532976170 GBVWYVJZPVYJFZ-OAHLLOKOSA-N 449.352 4.876 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1OC 1534017718 IPNUGAVSSIXXAM-WEVVVXLNSA-N 426.419 4.523 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(SC(F)(F)F)cc2)cc1Br 1534073521 HDRIKZKBTDLKRN-UHFFFAOYSA-N 431.233 4.950 30 10 IJEE C=CCOc1cccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)c1 1534966179 GHVKZRMURYPCRB-HSZRJFAPSA-N 441.484 4.538 30 10 IJEE C#CCN(C(=O)CCc1cc(C)cc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1538199755 ZKQZACNNFYRDRP-NRFANRHFSA-N 426.354 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C(C)C)C(C)C 1538984618 MHCBDXWMLRWSDM-IBGZPJMESA-N 427.662 4.852 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCC(F)(F)F)CC1CC1 1539142496 QXRRPFTYODGNLN-QZTJIDSGSA-N 426.527 4.779 30 10 IJEE C=C(Cn1c(-c2ccccn2)nnc1N(CCOC)Cc1ccc(C)o1)c1ccccc1 1539764743 BFEXHZXDVOXVQT-UHFFFAOYSA-N 429.524 4.608 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2csc(CC)n2)CC1 1539894645 OVZNHAJDKDNRIC-UHFFFAOYSA-N 437.613 4.542 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)CCC1CCOCC1)c1ccccc1 1539940413 QGWROHDQYPVNLU-XMMPIXPASA-N 431.584 4.953 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(OC(C)C)CC1)c1ccccc1 1539940626 TXFYGKLIEOFQEI-GOTSBHOMSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C[C@@H]1CC 1539966444 JPPOLFIHPSVRTH-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1539974132 KSJKMHMJJMNBIQ-FQEVSTJZSA-N 428.552 4.605 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCC1(C)C 1540139799 MPPGGGPXUVZGLH-FQEVSTJZSA-N 439.579 4.559 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(-c2cccc(OC)c2)no1 1540283474 KWERZXIEQXEOME-UHFFFAOYSA-N 435.958 4.767 30 10 IJEE COc1ccccc1-c1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)no1 1544513437 GILVXIDJRKAKRX-UHFFFAOYSA-N 441.491 4.957 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 1545339748 CNKZPJINLRAJSE-WMLDXEAASA-N 448.951 4.817 30 10 IJEE C#CCC1(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CCC1 1558480877 NUDDQKUTQMHNPK-UHFFFAOYSA-N 438.593 4.769 30 10 IJEE C=CCN(Cc1ccccc1F)S(=O)(=O)c1c(Cl)cc(C)cc1Br 1561155975 RIQKEHAVMZEWGF-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1C)c1ccc(Cl)cc1 1561629683 XMLKUBDOGUCVHP-HNNXBMFYSA-N 433.154 4.717 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)CC2)c1 1565004915 GDAAGBKIHOQUOE-XMMPIXPASA-N 438.522 4.738 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(-c2cc(Cl)ccc2OC)[nH]n1 1570721288 SEFLLXNZPYXBMC-UHFFFAOYSA-N 449.898 4.742 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1583436908 SUJYNZLEUCVVFT-BXKMTCNYSA-N 442.535 4.534 30 10 IJEE Cc1cc(C)n(-c2ccc(CNC(=O)c3cc(F)c(C#N)c(F)c3)c(C(F)(F)F)c2)n1 1583578021 BQCIERQZORDXNE-UHFFFAOYSA-N 434.368 4.588 30 10 IJEE C#Cc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)c1 1583841042 NFIIGFAQBKSKCZ-UHFFFAOYSA-N 442.316 4.971 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]2C(C)C)nnc1-c1ccc(Cl)cc1Cl 1584489997 CCBYMBRVWNKFAP-GOEBONIOSA-N 425.385 4.691 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)COc1ccc2ccccc2c1Br 1587188259 CSMNLEYUPDUSRQ-UHFFFAOYSA-N 428.257 4.771 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)C(F)(F)F)cc1 1587315762 WOXJMFAOKPLUIA-OXJNMPFZSA-N 433.451 4.590 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1588452660 VDSCLAIVJHRNAZ-DLBZAZTESA-N 436.478 4.619 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccnc(C(F)(F)F)c1 1589608443 IDWDDFFQCMYFFO-UHFFFAOYSA-N 446.433 4.718 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1593900270 JLJQMKJPMJHFLQ-HXUWFJFHSA-N 434.053 4.631 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCCC(F)(F)C2)CC1 1594194869 XYVPGMJRUBAYIU-HKUYNNGSSA-N 426.552 4.620 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CCC)C(=O)C1 1594473514 UPNTYKSHSIVDNS-UHFFFAOYSA-N 447.986 4.789 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)O[C@@H](CC)C1 1594692659 BWDYELQNZJNIGA-HOTGVXAUSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCC1(F)F 1595099622 FUZUHUDJRSQUJF-NHCUHLMSSA-N 441.526 4.672 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(C)s2)C1 1595680173 HQHFANKNSLGUTI-MSOLQXFVSA-N 442.560 4.757 30 10 IJEE C=CCCC[C@@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(=O)OC 1596244715 PNOCQRDAJIJEOV-MRXNPFEDSA-N 434.945 4.590 30 10 IJEE C=CCOc1ccc(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)cc1OC 1628375891 QXJJMIRHPLJUMU-AWEZNQCLSA-N 436.371 4.933 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCC(F)(F)F)c1C 1632386027 JRUOMHGTSIMAIF-CQSZACIVSA-N 436.858 4.911 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccco1)c1ccccc1OC 1638272875 GUFCXHMZQTYSGQ-GHTZIAJQSA-N 428.529 4.743 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccncc1OCCC(C)(C)C 1642064767 MPKNTDNRYQBIQA-UHFFFAOYSA-N 434.540 4.577 30 10 IJEE C=C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1)c1ccccc1 1651062311 OGQKXWZMIRKERP-GOTSBHOMSA-N 436.552 4.785 30 10 IJEE C=CCCCS(=O)(=O)Oc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 1662097552 FKDOYGVPFAKEBT-UHFFFAOYSA-N 449.326 4.841 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Oc2ccc(F)c(Cl)c2)o1 1663913682 GKJOONDUOOFYDS-UHFFFAOYSA-N 441.267 4.868 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 1667555516 WLQAZGQUDRXFRF-UHFFFAOYSA-N 431.305 4.796 30 10 IJEE CC(C)c1ccnc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2)n1 1669152419 BRBJZCBYRGXDOC-UHFFFAOYSA-N 442.523 4.618 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 1669405844 NSURKSOBFGOCTO-GFCCVEGCSA-N 428.398 4.910 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1c(OC)cccc1OC 1674244265 NOHQJILLRUWCHM-UHFFFAOYSA-N 437.309 4.503 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)CC2)cc1 1680330742 CECOZNLRUKAHDU-FQEVSTJZSA-N 442.485 4.745 30 10 IJEE N#CCC[C@H](NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1680814346 ADWDVVKRQMPLLY-RPBOFIJWSA-N 441.531 4.858 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1689919201 GEELODZYYACJKT-PMACEKPBSA-N 430.955 4.935 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1ccco1)N1CCCCC1 1689954068 KGJUWZHXOUWZSE-HXUWFJFHSA-N 441.938 4.627 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1Cc1sccc1Br 1690040827 QCSFWTGDCXOJRV-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC1CCCC1 1690086293 YPQBRRNCEOXAOO-FQEVSTJZSA-N 429.609 4.780 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1(CC)CCOCC1 1690090934 DCCRWCWMXQVJEL-UHFFFAOYSA-N 426.580 4.852 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1csc([C@@H](C)OC)n1 1690198258 IMIHUGGPAFBPJK-MZNJEOGPSA-N 435.597 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1690242865 DMMUYRMDHOTPNZ-NOXFTYBFSA-N 433.556 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1690246237 SVNAIWLMWOCQGT-HJOGWXRNSA-N 438.616 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1cccs1 1690253746 SNPJNEODSGVMCV-VGSWGCGISA-N 442.560 4.675 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1690306855 HPGGXNWNVFJOMJ-DYESRHJHSA-N 442.560 4.705 30 10 IJEE C=C(Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1690324556 UEQWLSAIZBIYGX-UHFFFAOYSA-N 430.943 4.662 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690455586 KTBMEKJDLOHHMU-XMMPIXPASA-N 448.615 4.583 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C1CC1)N(C)C 1690515734 SCLGFNZPIJVLSW-FXAWDEMLSA-N 432.012 4.651 30 10 IJEE C=CCn1c(N2CCC[C@H]2c2cccc(F)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653451 RRVXYHGVZNSATB-SXLOBPIMSA-N 441.551 4.715 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1690733520 GXIWYQWTINHVPC-LAUBAEHRSA-N 432.609 4.800 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1690739998 FVLJOSOLXOTGBC-UHFFFAOYSA-N 441.645 4.823 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CCCS1 1692825688 HXYHBEXVABCGCO-RTFZILSDSA-N 443.592 4.973 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1sccc1C 1705608435 RCXJPBVKYRXNAD-UHFFFAOYSA-N 433.350 4.724 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCS1 1705620716 DAPCNHHSKRISJD-FQEVSTJZSA-N 426.586 4.605 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]2CC[C@@H]21 1705690866 JWVJFIVWAOULHR-CVEARBPZSA-N 449.418 4.866 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1705794172 XWGRQPFKHBEOQH-HXUWFJFHSA-N 426.609 4.764 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705801903 VQLHZCCBRWAXOY-KDURUIRLSA-N 432.012 4.500 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCCC2)C1 1705802953 ZUYJFCXKJMOHQX-UHFFFAOYSA-N 440.588 4.617 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC=CCC1)C1CC1 1705855992 BKFLOZZOHHCKFG-QUCCMNQESA-N 427.593 4.861 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCC1(C)C 1705859354 PODMYAMYPZJXJD-GJZUVCINSA-N 438.616 4.949 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@@H](C)C1 1705870223 OYBOUMQIVLIAMB-IRXDYDNUSA-N 431.378 4.701 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C)cc1C 1705886036 MXVFAYNQNGRIKL-FGZHOGPDSA-N 426.605 4.501 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2Cc2noc3c2CCCC3)c1C 1706972592 AFMFMSWBLXIROH-IEBWSBKVSA-N 448.571 4.688 30 10 IJEE N#CCC1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCC(F)(F)F)CC1 1712885245 FAZAYDRLZMFFKI-UHFFFAOYSA-N 430.478 4.823 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@](C)(CC)O1 1722283097 QHPMCRSMTKMHNL-PXARDIRTSA-N 449.368 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1OCCC1(C)C 1722469711 KARRBUUIHBIYCR-FOIQADDNSA-N 449.418 4.576 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(C)=C(C)C1 1722501844 QLACPELPPWQEMB-RCZVLFRGSA-N 436.600 4.947 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)C/C(C)=C/c1ccccc1 1722505914 BELBSRUGKQYXAW-XGMBZNLNSA-N 443.595 4.785 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1722576542 LJHOVXZAHLPMSL-UHFFFAOYSA-N 447.583 4.738 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCOCC1 1722597936 VHMVSLNRJDPFBX-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722600480 NXQUGKINJODEQX-JOCHJYFZSA-N 437.632 4.871 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](OC)C(C)(C)C1 1722600994 SYJJRPDRGPISOC-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1722622723 NAUCBMQBLSYWEA-UHFFFAOYSA-N 443.661 4.856 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@H]1C(C)C)C1CC1 1722646115 DGPLIAPPJPSTEE-SPEDKVCISA-N 428.552 4.773 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1Cc1c(C)noc1C 1722663212 WQPJEBJCXYFRPP-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1C 1722685960 OXDDNRLPJJICLC-FQEVSTJZSA-N 425.577 4.523 30 10 IJEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722733605 ZCEOPQJZNDOUOE-NRFANRHFSA-N 437.632 4.681 30 10 IJEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(OCC2CC2)c1 1727050360 CQHKCWGXXDHGGG-SFHVURJKSA-N 430.556 4.531 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCC(C)CC1 1740534913 KVPTYECWJGKSDL-UXHICEINSA-N 444.023 4.651 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cnn(C)c1C 1740565498 BDRTYUBCFQLXBP-QGZVFWFLSA-N 436.629 4.613 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740571026 VOZKMCGJTWJEHX-FQEVSTJZSA-N 440.588 4.550 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)C1 1740753750 NQSYMESVHQQXIN-QMHWCDLVSA-N 430.980 4.585 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(OC)CC1 1740808849 AAILFUAKWPFDAU-JOCHJYFZSA-N 427.936 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1740849143 ZSBQSXYOSHIDPK-SFHVURJKSA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC1(SC)CCC1 1740920610 SAYAMZRLJLCRBQ-UHFFFAOYSA-N 437.588 4.881 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C 1740927583 VRFIZSIXPZWEOH-UNMCSNQZSA-N 429.653 4.638 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1740966588 NRUBOWCAIMIPML-DEOSSOPVSA-N 448.958 4.737 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(CCOCC)CCC1 1748648109 YDFUFKRBMJIJMU-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1748657810 JRIQYYQLDUIPHS-HKUYNNGSSA-N 442.629 4.732 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cscc1C(F)(F)F 1748689582 DLXDDGXXIOQWCY-FRFSOERESA-N 440.535 4.783 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1748699226 MTUHPVRKQMWMHS-JQVVWYNYSA-N 442.991 4.880 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1CCN(C2CC2)CC1 1748935479 UOQXKWUZZTZUFR-UHFFFAOYSA-N 449.643 4.623 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1749045366 ZEYBKRIBDQBJNC-UHFFFAOYSA-N 436.597 4.703 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[C@@H]1CC 1749051791 NGNIXGFMRBCXFX-LZCXECNNSA-N 433.600 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1Cc1c(CC)nn(C)c1CC 1749147457 JNHAWVGNCWMYGL-UHFFFAOYSA-N 426.996 4.908 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1occc1C 1749155476 GKYRCRJEARYYNH-UHFFFAOYSA-N 443.592 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749355668 NBUVSJLNEHDHAZ-IBGZPJMESA-N 444.023 4.943 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1749438028 OZTLOGWAUZZFRL-YLJYHZDGSA-N 439.362 4.983 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)C)C1 1760131410 ROTDEYRFUFCXPG-WIYYLYMNSA-N 430.980 4.736 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1c(C)noc1C 1760228638 MTJUEEGQCYHBHO-GFCCVEGCSA-N 448.390 4.637 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1cc(Cl)ccc1OC(F)F 1760340341 UWFLCRDORYJUCN-QGZVFWFLSA-N 426.895 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1760385457 UUFDLYVLJOZNIB-UHFFFAOYSA-N 448.880 4.806 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1760390843 UNZOMVOMXABVRK-UHFFFAOYSA-N 443.473 4.562 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1760398519 BDRVMRQGTYTSPG-XMMPIXPASA-N 432.616 4.730 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1760399824 DSDRMJPCCHGPSM-JOCHJYFZSA-N 436.991 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1760410717 ONCCUYXMLNQGPC-GMAHTHKFSA-N 448.615 4.885 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCOC1)c1ccccc1 1760417886 JVQYEXCOEJMVOK-WIYYLYMNSA-N 437.975 4.826 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCCN1CCCC[C@@H]1C 1760454783 SMLQOASSXZAXBE-SFHVURJKSA-N 446.437 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@H](C)C1 1760484347 WGRGLAKXNIAOGL-QRICJDHISA-N 442.579 4.770 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1760485523 HAWFDBRMXVHNPA-UHFFFAOYSA-N 432.597 4.555 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1760562092 WZVGLLSHMRLTIZ-JOCHJYFZSA-N 439.673 4.836 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cccn2)C1 1761542360 GJTQTJADTFDXRY-NRFANRHFSA-N 444.370 4.669 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(OC(C)(C)C)nc2)cc1 1764438510 FESJLOAYUCCHON-SFHVURJKSA-N 432.572 4.866 30 10 IJEE O=C1NC(=NN=Cc2cccc3ccccc23)S[C@H]1Cc1ccc(Br)cc1 1772724784 PFGUIPWLZVPPFV-IBGZPJMESA-N 438.350 4.767 30 10 IJEE CS(=O)(=O)Cc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 1859761208 UVFSXVIARBKSCM-UHFFFAOYSA-N 446.484 4.875 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1 1861031396 BEBWBWBHQRYMOH-FQEVSTJZSA-N 437.606 4.703 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)OC)cc1 1861767929 KYJITMVONSYZOA-KEWFZMHCSA-N 442.600 4.734 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(C)c2)cc1 1862390116 WAFCMXQJSFJBSV-DEOSSOPVSA-N 434.580 4.868 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCCN(C)C)cc1 1862501703 IOZOYDQAECOBFS-QHCPKHFHSA-N 438.543 4.617 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccccc2Br)cc1 1862540243 JEVSFSZFJLUASJ-LJQANCHMSA-N 426.310 4.752 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)cc1OC 1862550172 DTRNMFRWDRISLH-DEOSSOPVSA-N 449.547 4.817 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862651392 RSRAXNDUTFEBLF-OSPHWJPCSA-N 429.516 4.922 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1ccc2c(c1)OCO2 1862674519 NUHOQBGQHUKVJY-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)cc1 1862719463 LPZBGOXKGGATPU-JOCHJYFZSA-N 429.472 4.613 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(C)c1 1862721726 JFROSHKINBWMIB-XMMPIXPASA-N 427.500 4.887 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1CCN(C)C 1862722638 WFFNSGPHUZIKAD-RUZDIDTESA-N 440.543 4.802 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3cccc4cccnc34)C2=O)cc1 1862954164 ZQJBFKFWNHIIBD-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863336490 HFILBJHJLASFCG-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3Cl)C2=O)c1 1863452197 BRIAULMVFHCYAQ-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(CCO)C1=O 1863633024 HOSNAQUNTLRVGI-UHFFFAOYSA-N 441.399 4.796 30 10 IJEE C=CCN1C(=O)c2cccc(OCC(=O)Nc3ccccc3Sc3ccccc3)c2C1=O 1865828119 VOADRMRWIGFJFE-UHFFFAOYSA-N 444.512 4.637 30 10 IJEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)nnn1-c1cc(Cl)cc(Cl)c1 1870145578 GZHGCHALEIBJPO-UHFFFAOYSA-N 444.322 4.860 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)s1 1871425551 MFAMNKUJGUXSFO-HRVJUDJTSA-N 449.532 4.821 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871790508 YRPIHKBQVBNHDU-FQEVSTJZSA-N 438.952 4.628 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)c1ccccc1)S(=O)(=O)CCC 1872178660 VRVSCNRWCIKHAA-HSZRJFAPSA-N 444.597 4.773 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc(C)cc1 1872212346 BKXDGTOXZFXTED-IBGZPJMESA-N 428.598 4.887 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 1872425213 RRPVEZGYQRTLAZ-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872441783 SRPBQYOYDGVHGO-VGSWGCGISA-N 432.561 4.754 30 10 IJEE COc1cc(Cl)c(C)cc1N1CC(=O)C(c2nc3c(s2)CCc2ccccc2-3)=C1N 1872724346 BZZKRXGTEJTGAK-UHFFFAOYSA-N 437.952 4.596 30 10 IJEE CCc1sc([C@H](C#N)C(=O)CSc2ccccn2)nc1-c1ccc(OC)c(OC)c1 1872728113 OFRSUFHTKWVCDJ-OAHLLOKOSA-N 439.562 4.753 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c2c1 1872816474 LGMDLLMZTYWIIS-UHFFFAOYSA-N 440.956 4.761 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)cc(F)c2)C1=O 1873316473 GASFCSYPBGVDJP-HNNXBMFYSA-N 429.426 4.790 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330951 XISZMEOQOFDNSW-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)ccc2OCCC)=C(c2ccc(OC(C)C)cc2)C1=O 1873377601 CLSFZHSMTNNLEK-UHFFFAOYSA-N 434.536 4.949 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N3CCOCC3)ncnc2n1CCC 1873575035 NXNMGYBHALWKNW-UHFFFAOYSA-N 429.609 4.548 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cc(C)ccc1O 1874260934 ZPWPVLHSOIPFCG-YSURURNPSA-N 430.480 4.700 30 10 IJEE COc1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)ccc1O 1874417017 UIELODQQKZYYCC-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccc(Cl)c1 1874468760 WSFSSJPFOQOBAE-OEAKJJBVSA-N 445.976 4.814 30 10 IJEE C=CCSc1nnc(CCOC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874473232 UFJVPKQGLJYMQJ-BUVRLJJBSA-N 442.972 4.860 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874511127 LUTFBVBZBYLNRK-SRZZPIQSSA-N 431.905 4.672 30 10 IJEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 1874698369 SIRVLKSRVGEIBI-WLRTZDKTSA-N 447.443 4.656 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1OC(=O)c1cnccn1 1875120160 FLANQMJRAWZRGM-GORDUTHDSA-N 430.794 4.532 30 10 IJEE Cc1cc(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)sc1Br 1879731495 AFONJMROUAMTSM-SGTLLEGYSA-N 426.185 4.517 30 10 IJEE CC#CCCCSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1891006001 SFSPHVLLYRGYHY-HSZRJFAPSA-N 437.561 4.905 30 10 IJEE C=C(CNC(=O)C[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1)B1OC(C)(C)C(C)(C)O1 1892600931 SHBKSMZEKDQCAN-INIZCTEOSA-N 444.381 4.831 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCN(Cc2ccc(Br)cc2C#N)C1 1966310926 VXHQRBOJQOHLOJ-APWZRJJASA-N 434.378 4.542 30 10 IJEE C=C([C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 1976564174 GRSOAYMKVBWWBW-QPPBQGQZSA-N 432.681 4.852 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)CC1CCN(C(=O)OC(C)(C)C)CC1 2045604050 RJAOJZQMGLLDSO-ZEQRLZLVSA-N 446.632 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@]1(O)CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 2074134495 QNZGLFJRCLPYDI-NVQXNPDNSA-N 444.616 4.552 30 10 IJEE O/N=C/c1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079229533 IJLOOARZCQSGRY-LKNXVUQUSA-N 434.109 4.679 30 10 IJEE CC(C)(C)CN(c1ccc(C#N)c(Br)c1F)C1CN(C(=O)OC(C)(C)C)C1 2174770389 VQMUDTKRBUIOHU-UHFFFAOYSA-N 440.357 4.932 30 10 IJEE CC1(C)OB([C@@]23C[C@H]2CCN(C(=O)c2cccc(Br)c2Cl)C3)OC1(C)C 2194129146 SPGDXCOJQILQBZ-CWTRNNRKSA-N 440.574 4.801 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2235723485 UFGNTDFSRHNLQB-HKUYNNGSSA-N 433.390 4.568 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CC(C)(C)C1 2235724531 MTODZFPOPBOQIY-SFHVURJKSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C1(N(C)C(=O)OC(C)(C)C)CCCCC1 2235725827 JIMPZEAFRLYMHS-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 2235729666 UEYOASLXXANPKO-KNKQGSTJSA-N 433.390 4.568 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2235747445 PWXMNGHVMDRPSP-NLWGTHIKSA-N 435.406 4.862 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 2296136292 YYBVXZPROMUFEI-GMAHTHKFSA-N 449.547 4.593 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCN1C(=O)OC(C)(C)C 2296219364 NGIMEMNRBSFXMM-WOJBJXKFSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2296221626 KGROVGBRMCHALX-OXJNMPFZSA-N 435.406 4.672 30 10 IJEE CC(C)n1ncc([C@@H](N)C#Cc2cccc(Br)c2)c1NC(=O)OC(C)(C)C 2296274391 UHBDBBHPJLKJLW-KRWDZBQOSA-N 433.350 4.625 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1(CNC(=O)OC(C)(C)C)CC=CC1 2296306311 FQVQTDNHDXDENM-LJQANCHMSA-N 433.390 4.640 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)C=Cc1ccccc1 2296938729 XRKZTMHVSPJICB-HSZRJFAPSA-N 426.428 4.777 30 10 IJEE CCCN[C@@H](C#C[C@@H]1CC1(F)F)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2302299118 BBRNLUCVSXSRLC-FYZZASKESA-N 436.543 4.512 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 2305317328 ULZWMXXCDPEDHW-TYBLODHISA-N 428.573 4.698 30 10 IJEE Cc1c(OCC(=O)OC(C)C)ccc2c1OC(=Cc1ccccc1Br)C2=O 2321862522 OFAWJXQVQGTSHR-UHFFFAOYSA-N 431.282 4.704 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323370436 HCHCEMWFRZUVKR-UHFFFAOYSA-N 445.427 4.758 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3CCCC[C@@H]3CCO)C2=O)c2ccccc21 2324140735 KPTJAFWGZUNHHK-LJQANCHMSA-N 446.547 4.720 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc(O)c2CN2CCC(N3CCCCC3)CC2)C1=O 2324210022 IAJHQVJKUGUVRF-UHFFFAOYSA-N 438.593 4.829 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC 2325556114 ZRGDSNXGJPLPSB-UHFFFAOYSA-N 443.805 4.606 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2325727362 RJEYBYLZBBJAHX-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2325740452 KSCRPZIKYGVIJQ-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccn1 2326015005 QPPFLMYACJHFBO-UHFFFAOYSA-N 427.961 4.889 30 10 IJEE CCCOc1cccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SCC)c1 2326738696 UUYMVYPTGZZOIT-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE CCCSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc2c(c1)OCCO2 2328964719 CWIHMAAECVPWQU-UHFFFAOYSA-N 436.581 4.836 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1cccc(OCCC)c1 2330705549 LFZCGLGHOUXWDK-UHFFFAOYSA-N 438.553 4.661 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2C2CCCC2)cc1 2331021293 HIZXNMIVABCZHB-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OC(=O)c1cnc(C)cn1 2331318764 ZZFYARTXMLDQER-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE CN1CCC(N(Cc2ccccc2)c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339585434 PGCXXWZFOFQSBF-UHFFFAOYSA-N 433.405 4.827 30 10 IJEE CC[C@@](C)(CNC(=O)OC(C)(C)C)N(C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339605201 ANPJUOCJJFNMEF-ZXYASIKESA-N 445.413 4.856 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2360195725 BKAZWINHRGVSIU-UFYCRDLUSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@H](N)C#Cc1ccc(Br)cc1 2363392572 YXHYKSXZZBOWOE-MOPGFXCFSA-N 435.406 4.944 30 10 IJEE N#Cc1cc(N[C@@]2(C(=O)O)CCCC[C@H]2OCc2ccccc2)ccc1Br 2375627257 ILQIBUIHZQWVPZ-CTNGQTDRSA-N 429.314 4.715 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1SCC(=O)Nc1ccc(C)cc1C 2911423 MRKZZXOKXWTRDG-UHFFFAOYSA-N 431.565 4.884 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccccc3F)c(OC)c2)c(OC)c1 34954722 OJYLMLAWOGBPQB-WQLSENKSSA-N 436.435 4.967 30 10 IJEE C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C 36304775 WSWJHSJLOMTAOH-DEOSSOPVSA-N 447.579 4.503 30 10 IJEE Cc1cc(C)c(OCC(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2O)c(C)c1 40523380 GPVPAGFLXPNFRB-LJQANCHMSA-N 430.504 4.530 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 169959845 SZPACFZJQCSOBJ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccs2)cc1 169988780 LFFJRCHCNOTGGP-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCOC(C)C)cc1 170027763 QQJVGECBGQYGMN-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(C)o2)cc1C 170100429 DULOYTYHMSDBOU-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)c1 170173058 CKWGGGOUNWFIJR-QHCPKHFHSA-N 428.488 4.899 30 10 IJEE CCN(CC)c1ccc(N2CC(=O)C(c3nc(-c4ccc(C)c(C)c4)cs3)=C2N)cc1 170180167 GTOPWRISWYKZSN-UHFFFAOYSA-N 432.593 4.990 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccncc2)ccc1Cl 170200616 PXHFKCGEPQTSOT-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@H]1c1ccncc1 170205086 ZXCOCBJPXCPLFY-QFIPXVFZSA-N 444.487 4.504 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1cccc(O)c1 170259982 CFULFZQTJVZEPZ-DEOSSOPVSA-N 441.483 4.809 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccc(C)o1 170308618 ASUZDTXFRJAFOG-OAQYLSRUSA-N 425.525 4.809 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311356 LGUKXQOSWJUJQU-NPMXOYFQSA-N 447.462 4.829 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1cccnc1)c1cccs1 170353594 HXCAMBSZYFHSLI-KRWDZBQOSA-N 446.406 4.825 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccccc1)c1ccco1 170371275 ATFOFZZOCDFBSV-SFHVURJKSA-N 429.350 4.961 30 10 IJEE CCN([C@@H](c1ccc(Cl)cc1)c1ccccn1)S(=O)(=O)c1ccc(F)c(C#N)c1 431809686 MUGMYNUIGJDNDP-NRFANRHFSA-N 429.904 4.546 30 10 IJEE CCOc1ccc(N(C(=O)c2sccc2C#N)C2CCN(CC(F)(F)F)CC2)cc1 460168977 ZPTFKSVFBITJCY-UHFFFAOYSA-N 437.487 4.692 30 10 IJEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC2(CCOCC2)c2ccccc21 460373731 FOFOAQCVJPYRMB-QHCPKHFHSA-N 444.535 4.567 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC2(CCC2)C[C@H]1C 460568511 WHYHGTUTIFUTAH-GOSISDBHSA-N 432.572 4.581 30 10 IJEE C=CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nnc1-c1ccccn1 481367440 DFVLVUWSLFNXRM-UHFFFAOYSA-N 444.442 4.887 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1ccc(Br)cc1Br)CCCC2 484159312 KGANEHRKWXNINU-UHFFFAOYSA-N 435.119 4.609 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 496653929 YAHHLMYDQBVJJK-QILAJZQNSA-N 435.616 4.747 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 503056026 GLJAVLMUKDNDGG-WAIKUNEKSA-N 425.554 4.616 30 10 IJEE N#Cc1ccc(OC2CCN(Cc3nc(O)c4c(-c5ccco5)csc4n3)CC2)cc1 507767522 CMNOFWPHDWXUQH-UHFFFAOYSA-N 432.505 4.572 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1c(C)cc(Br)cc1C 520204658 XQMURDZISXYUFD-UHFFFAOYSA-N 432.318 4.872 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(F)cc2)c1OC 526491269 SMVGBKGVGYBXGF-QFIPXVFZSA-N 430.435 4.772 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccc(Cl)cc1 526831486 RWMQARLBDDLBED-JJFYIABZSA-N 432.933 4.827 30 10 IJEE COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccc(F)cc1 537174669 XAVQAHGDLIBVPX-QFIPXVFZSA-N 426.536 4.537 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 558981092 VFJNXUOXYVSZQR-LJQANCHMSA-N 438.601 4.605 30 10 IJEE COc1ccccc1CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1 586169008 KVUQNMYKWWRJRC-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cccc(C)c1 733197723 RIAWBLCIBJXTEK-FQEVSTJZSA-N 439.968 4.940 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)[C@@H](C#N)c3nc(-c4ccncc4)cs3)o2)cc1 734084189 YFOYUALVUQYSJG-GOSISDBHSA-N 430.489 4.678 30 10 IJEE COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)SCc2cc(Cl)ccc2OCC#N)c1 735317824 GFLXJXLXUZNXOG-LSDHHAIUSA-N 448.972 4.759 30 10 IJEE CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1CCC(C)(C#N)CC1 780333666 QLBNYMRJMOAZCQ-UHFFFAOYSA-N 445.972 4.809 30 10 IJEE C#CCN(C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C)C1CCCC1 810156180 VDIIKMXBUUHMCF-QZTJIDSGSA-N 441.572 4.517 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccccc1 1125203070 TZBTYNJXZDGVRJ-BQSZEUOTSA-N 439.581 4.578 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)c1 1125826972 YYHYVBGKAIQPQE-IZZNHLLZSA-N 427.548 4.891 30 10 IJEE C=CCN(C(=O)[C@H](C)Cc1cncc2ccccc12)[C@@H](Cc1ccccc1)C(=O)OCC 1128003000 FNJWMUMCZDHSNB-NLFFAJNJSA-N 430.548 4.602 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)n[nH]2)c1C 1141418779 BDJMGHNCAQXOPN-JOCHJYFZSA-N 425.536 4.790 30 10 IJEE CC(C)Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 1144758574 HYIZETPGIMTRCP-JOCHJYFZSA-N 440.385 4.670 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 1147119757 SIZTWFBPJLMVPK-PXNSSMCTSA-N 446.979 4.702 30 10 IJEE C=CCn1c(S[C@H](C)c2nccc(N)n2)nc2scc(-c3ccc(C)cc3)c2c1=O 1164417803 DPOGBUZFYZOKAN-CQSZACIVSA-N 435.578 4.845 30 10 IJEE C=CC[C@H]1N(CC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)CCCC1(C)C 1169843675 HJVAHYJMJHEXPY-HXUWFJFHSA-N 429.586 4.833 30 10 IJEE C=CCOc1ccc(CNc2nnn(Cc3ccc(C(F)(F)F)cc3)c2C)cc1OC 1179489169 HLRIMGHDCMEYEX-UHFFFAOYSA-N 432.446 4.839 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)cc(Cl)c1O 1183111857 IZOQOPIJERTKBU-ZDUSSCGKSA-N 447.757 4.996 30 10 IJEE CC(=O)N(c1nc(Cn2cc(C#N)c3ccccc3c2=O)cs1)c1cccc(C)c1C 1189769623 HHWFSXPQIGUTRZ-UHFFFAOYSA-N 428.517 4.679 30 10 IJEE CCC[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CCN1Cc1ccccc1 1205019720 DZENNIIBONSXKV-HXUWFJFHSA-N 441.373 4.839 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(Br)c1I 1206830491 XOXIKPNKOFIYSS-PHIMTYICSA-N 447.114 4.769 30 10 IJEE CCOC(=O)c1cn(CC)nc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1210466392 HRAKTOREUKPVSS-MRXNPFEDSA-N 431.496 4.501 30 10 IJEE CC(C)CN(Cc1ccccc1Br)S(=O)(=O)c1cc(C#N)ccc1Cl 1210688216 FXHHKPOZWLUASD-UHFFFAOYSA-N 441.778 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Nc2cccc(OC(F)(F)F)c2)cn1 1219437051 CHQGXGUXFNUBET-LIRRHRJNSA-N 436.434 4.827 30 10 IJEE C=CCC1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 1228269775 GUTNXWTUYDWOCO-HOTGVXAUSA-N 433.515 4.610 30 10 IJEE C#C[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)c1ccc(F)cc1 1230479183 YPJJWDDXWDRJGV-RTWAWAEBSA-N 443.563 4.567 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C)[C@H]1CCCc2ccccc21 1251488464 BHYDGYDLSFCTDX-XZOQPEGZSA-N 434.490 4.510 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCCCC1 1266542675 FTPXMWBYRTWNBM-UHFFFAOYSA-N 443.935 4.563 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 1269658909 HOLMDAMLLYTGCM-UHFFFAOYSA-N 440.277 4.858 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(O)(CCC)CCC 1286401674 PTKHQSIOCPMHCI-UHFFFAOYSA-N 438.641 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(CCOC)CC1 1286570091 MHWPAVCKHMZNGT-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CC1CC1)c1ccccc1 1286616655 AKQUCAPDPBGHDC-UHFFFAOYSA-N 426.362 4.985 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCOc2ncccc2Cl)CC1 1286643177 CLYMZEBTXMELTA-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1286689385 NYBACGDLJINKAY-UHFFFAOYSA-N 429.568 4.720 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1286711945 RODFKRHGVDJYOS-LJQANCHMSA-N 431.650 4.917 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCC1(COC)CCCC1 1286716828 MILACDBQRCAUQY-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC[C@@H](OC)C(F)(F)F 1286744988 RBADRAMTNDSTOS-QGZVFWFLSA-N 428.474 4.875 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCSCC(F)(F)F 1286749651 XCNXNHFHPIDCKX-HNNXBMFYSA-N 446.564 4.722 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccs1)N(C)C 1286752468 ZXPCMMTXKQNLMU-RBUKOAKNSA-N 443.642 4.748 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCc1nc(C(F)(F)F)cs1 1286756679 SITZLYFDSVEISU-UHFFFAOYSA-N 434.491 4.545 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1C[C@@H]1CSCCS1 1286765789 JXUVWOKWCNHAJH-HXUWFJFHSA-N 432.659 4.688 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2=CCCCC2)C1 1286800352 JWWYYRUNEFDKAX-UYAOXDASSA-N 426.536 4.839 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC2CCCC2)C1 1286801594 DMZWCCJYSKKDOA-OAQYLSRUSA-N 425.533 4.605 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 1286837447 XOHRRZALFSGDFS-IBGZPJMESA-N 449.665 4.896 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccc(OC2CCCC2)nc1 1287358661 DXWITAIHCGOYQU-UHFFFAOYSA-N 444.583 4.749 30 10 IJEE C=CC[C@]1(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1293210507 LQYNIFWUIBCUFE-AUSIDOKSSA-N 434.964 4.586 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1300760685 GBPHEAICRURRBI-FQEVSTJZSA-N 448.995 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccco1)N1CCCC1 1300905852 FYBCHPZQGVOEKG-IBGZPJMESA-N 440.979 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1301160078 LWMAACIXKDAUPJ-UHFFFAOYSA-N 446.521 4.796 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1301176246 UHQJEBDOPQEXOL-DENIHFKCSA-N 444.023 4.502 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCC[C@]2(CC=CCC2)C1 1301258843 BVVWMZXNEYFOST-RUZDIDTESA-N 440.563 4.916 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCC1(C)C 1301342333 VSEBGPLDLRTJKN-OAQYLSRUSA-N 444.583 4.944 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CC(=O)N(C)C1CCCCC1 1301357903 TYWHPFHFPHFNIM-SFHVURJKSA-N 429.634 4.837 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(Cl)s1 1301372077 IHIWIUAJUBAWCL-UHFFFAOYSA-N 438.782 4.977 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1cc(Cl)ccc1OC 1301406747 VREJXAJKASCDSQ-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 1302982240 HJCSWSSHFVHPRV-RBUKOAKNSA-N 428.462 4.850 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OC)nnc1-c1ccc(Cl)cc1 1307250742 NUYQEBYWMKSFHK-SFHVURJKSA-N 431.920 4.800 30 10 IJEE Cc1c(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)sc2ccc(C#N)cc12 1309375034 CUYYUDHUEIHLKK-KRWDZBQOSA-N 442.562 4.881 30 10 IJEE C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2Cl)CC1 1311894080 RBXKYADPMKPGRS-SFHVURJKSA-N 426.786 4.599 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1348903389 PJLYOCAGCYPTRW-NRFANRHFSA-N 426.479 4.710 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)C(F)(F)c1cccc(Br)c1 1356378853 YYEKPCSHCYJQQW-UHFFFAOYSA-N 430.252 4.676 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1357804211 TVJYHIJABALMIC-UHFFFAOYSA-N 427.657 4.978 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCOC1CCCCC1 1358877122 XODYRPKBLQMUTN-IBGZPJMESA-N 432.572 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCc1ccc(Br)s1 1358892708 FQTHXAMLEXBDHH-AWEZNQCLSA-N 447.377 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H](CC=C)c1ccccc1 1359063351 PLELQNGXVGLSAK-HFZDXXHNSA-N 433.600 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC1(COC)CCC1 1359073474 RCNSZDMOPGXORS-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1359131449 UMMBSBSCCWHOFT-UHFFFAOYSA-N 446.382 4.929 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nc(C(F)(F)F)cs2)CC1 1359160865 HKJLPUOFDNITFC-UHFFFAOYSA-N 435.475 4.634 30 10 IJEE C#CCOc1cccc(OC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1359925597 ISAGZVMSHMLMJP-AVRDEDQJSA-N 443.902 4.785 30 10 IJEE C#CCN(C(=O)[C@@H](C)OCc1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1360557206 QEPKQRKEONMCQD-UTKZUKDTSA-N 442.353 4.648 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(F)ccc1Br 1360644307 WJBDKJNVANWGLC-UHFFFAOYSA-N 446.089 4.713 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C 1434998845 WWHGKFRIMIFEQL-AWEZNQCLSA-N 443.357 4.606 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl)OCC 1436028126 DAYYKXILKZSOGI-UXHICEINSA-N 436.980 4.832 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1 1436299101 DWHUYHKNBPWINV-UHFFFAOYSA-N 437.293 4.578 30 10 IJEE CC(C)c1ccc([C@H](CNC(=O)c2ccc(C#N)c(O)c2)N2CCc3sccc3C2)cc1 1441463717 IBXJMHPZNVLSHR-QHCPKHFHSA-N 445.588 4.978 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 1441944564 CSGVCDDOEGYJRJ-UHFFFAOYSA-N 440.341 4.780 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 1444991312 UWNBTCNMFUJLOL-IBGZPJMESA-N 432.561 4.759 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)NCC(=O)OCc3ccc(Cl)cc3)cc2)cc1 1446739536 CKQMRIYZBUKOHZ-UHFFFAOYSA-N 434.879 4.672 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3[S@@](=O)C(F)(F)F)cc2)ccn1 1460638755 HULVESKDZQHHHE-SSEXGKCCSA-N 431.395 4.625 30 10 IJEE Cc1ccc(-c2csc3ncnc(SCC(=O)NCCc4ccc(C#N)cc4)c23)cc1 1461528563 FVICYIKFIAWCTH-UHFFFAOYSA-N 444.585 4.989 30 10 IJEE C#C[C@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)c1ccc(Cl)cc1 1466282521 KXMKTWCYAIESHN-SFHVURJKSA-N 443.732 4.843 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccc3ccccc23)C(F)(F)F)c1 1466787904 XSWGDTRDKHTVSU-OAQYLSRUSA-N 445.462 4.670 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](N(C)c2ccc(C)cc2)C1)c1ccc(Br)cc1 1470663776 RMFCPRIVEKBIIZ-FGZHOGPDSA-N 440.385 4.742 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)[C@H](c1cc2cc(Br)cc(C)c2o1)C(C)C 1470958894 HMBWPYFAMHXHTQ-HKUYNNGSSA-N 435.362 4.881 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(C(F)(F)F)cc1 1473317429 TXVBVCRRTSARPZ-FQEVSTJZSA-N 445.485 4.833 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CCCC1 1475860204 JCNDGHOQYTXJAV-UHFFFAOYSA-N 433.618 4.898 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 1476223326 PBDQJZPMCWQWCJ-UHFFFAOYSA-N 447.304 4.676 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1476344753 MSMFHQPVHBDOTH-KRWDZBQOSA-N 429.314 4.900 30 10 IJEE CN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1478476028 HBPAJMXEXDZNCS-RRIAHRGQSA-N 448.567 4.531 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1502581723 ICFLVMURYDMICB-JOCHJYFZSA-N 425.577 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(OC)C1CC1 1507517776 JKJOWZZFBGRLGC-VOIUYBSRSA-N 435.597 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1oc(CCC)nc1C 1507544617 YYHJQWLJDQNQTR-SFHVURJKSA-N 449.599 4.910 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N(C)C1CCC2(CC1)OCCO2 1507557679 AQOLUUAAKDYNED-UHFFFAOYSA-N 428.964 4.524 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCOC(C)(C)C 1507748980 SDJWEHUDQKADTI-UHFFFAOYSA-N 428.646 4.860 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(C)C)C1 1507779420 NWOUSICROLLFAH-CVEARBPZSA-N 437.357 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCSC 1507795599 LTOUZVHXTSZHLR-UGKGYDQZSA-N 437.613 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CC)Cc1ccccc1C 1507802566 AXTJMLCTOYPZEQ-NOZRDPDXSA-N 431.584 4.580 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1507838243 NNFKWDGRKMKTSC-HSZRJFAPSA-N 436.556 4.580 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCCCCC[C@H]21 1507849036 UCABQMFPZBZGOW-NHCUHLMSSA-N 440.588 4.617 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2cccnc2)CC1 1507882151 RVMCAKAONDHKQI-FQEVSTJZSA-N 433.556 4.611 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCCN(C(C)C)C(C)C)CC1 1507889634 XSGBWHUZIXRFOW-UHFFFAOYSA-N 425.621 4.831 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2scnc2C)CC1 1507901449 JUFNQXRIMZBRPB-UHFFFAOYSA-N 428.005 4.932 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)N(CC)CC)CC1 1507909022 ONBGAEPXIRHLSM-OAQYLSRUSA-N 425.621 4.607 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H](OC)C1 1507943514 ZFAZGTKRDKVWOV-UONOGXRCSA-N 425.396 4.597 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1507959767 HZJHGGKCXABONE-IBGZPJMESA-N 440.979 4.538 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 1507988127 IZXJDJFRTZQELG-RDTXWAMCSA-N 449.418 4.905 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCc1ncc(CC)s1 1508009560 RZDBTYKCYUVDSI-UHFFFAOYSA-N 436.610 4.856 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1508019334 CZHXXQQBBGOSJL-GHTZIAJQSA-N 429.634 4.654 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@H]1CCCO[C@H]1C(C)C 1508025940 DUYAKJCKIRWUHR-OFNKIYASSA-N 435.572 4.619 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)CC=C)C1 1508110118 SDDZQYOZFHEGNH-OAQYLSRUSA-N 437.588 4.531 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C 1509918505 HKMJFEAZHCRKRQ-PXNSSMCTSA-N 446.580 4.972 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1509973288 FROJKUXBQCZANX-INIZCTEOSA-N 427.524 4.993 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cc1OC 1521175344 QQPDEIUQIFIJFF-WQLSENKSSA-N 435.442 4.873 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)C(F)(F)F)cc1 1521337485 PMDKRZXKLZAEDT-LEWJYISDSA-N 429.438 4.675 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1522538119 AASNZSMANOJJPV-UHFFFAOYSA-N 431.332 4.731 30 10 IJEE C=CC[C@H](CC)NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 1524814825 BTFNMFQZHWUDDF-FKRCVWNDSA-N 436.552 4.659 30 10 IJEE CCCN(C(=O)COc1cccc(Br)c1C#N)[C@@H](C)c1ccccc1OC 1526370060 GDUOMIAIRGZUDO-HNNXBMFYSA-N 431.330 4.708 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C 1527069793 WWZFMIVSAAVURF-UHFFFAOYSA-N 444.597 4.551 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)sc2c1CC[C@@H](C)C2 1533864178 ARMBSAQOPUFLQW-CABCVRRESA-N 426.538 4.716 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)CCCN1C(=O)OC(C)(C)C 1534383134 UIWYOLIKDVNKQY-VWLOTQADSA-N 447.539 4.681 30 10 IJEE C#CCCOc1ccc(C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)cc1 1534431037 QZRKIHAKEASAHV-UHFFFAOYSA-N 440.337 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC=CO1 1538970567 CKMJSBMQCZLTCJ-NLWGTHIKSA-N 428.964 4.839 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN1C1CCCCC1 1539148610 QVHQHZMBCXVTSL-VWNXMTODSA-N 449.643 4.901 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC=C(C)CC1 1539620632 MJWOPJBPAWPILJ-UYAOXDASSA-N 443.389 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N(C)CC(C)(C)C 1539642112 OZHAGROUZULSKI-XXBNENTESA-N 442.604 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1-n1cccn1 1539671424 JRMKZXXUJTZMJO-UHFFFAOYSA-N 447.974 4.554 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(CC)C1)c1ccccc1 1539947997 NPACQSQWNQFAGN-BVAGGSTKSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1539954580 AACVYUPGEYYBBP-UHFFFAOYSA-N 445.552 4.520 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCCC1(C)C 1540136978 OOJZFTKGNBVUIA-SQJMNOBHSA-N 442.579 4.793 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCC(C)CC2)C1 1540885652 NBADUOQQGIGTPN-SIKLNZKXSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1540911475 YIPGQCKBVSKABH-PIIMJCKOSA-N 433.419 4.862 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc(-c3ccccn3)nc3sccc23)c(OC)c1 1543549923 BDTODDZOZGINQE-UHFFFAOYSA-N 432.505 4.508 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCCc3cnn(C(C)C)c32)cc1OC 1560431526 XBJFNFNXCYPFSR-SFHVURJKSA-N 434.378 4.967 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1OC 1560446516 OTKXLVDIQSTFCX-IERDGZPVSA-N 433.390 4.804 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 1562441716 LVVFXZRCORGLOK-QFIPXVFZSA-N 449.551 4.820 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)cc(OC)c1OC 1563814350 BUVLFFDGYJIKRS-DEOSSOPVSA-N 438.568 4.526 30 10 IJEE C#C[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)c1ccc(Br)cc1 1583566696 ZODHQLUISLAMQU-KRWDZBQOSA-N 435.159 4.980 30 10 IJEE C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cc(Cl)ccc1OC(F)F 1584051863 CTKZZPOWWYSSED-HNNXBMFYSA-N 449.885 4.846 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1OC(F)F 1586816557 NBIWNMPVOUWXEX-HNNXBMFYSA-N 432.895 4.807 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc(OC)c1OC 1586864132 XFQDMMKTYXYIFN-LJQANCHMSA-N 446.588 4.588 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)[C@@H](C)CC 1587562921 VFWOPQWJSSQNPS-GSRZOBFVSA-N 447.023 4.943 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 1587772817 JZBLVENAEZHNCE-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1C1CCC1 1588983685 BOPVYVRBJZVNHX-LAUBAEHRSA-N 428.577 4.693 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccccn1 1589006772 IEVXWDFSWWNXOL-KRWDZBQOSA-N 437.638 4.529 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC1(C)C 1589513825 BZTSRKHOVGMUDR-DENIHFKCSA-N 440.588 4.712 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1593655275 WSUAYOHKERKLSY-UHFFFAOYSA-N 443.020 4.944 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1593695352 DIHBZYKIRLSDNE-CMKODMSKSA-N 448.995 4.668 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1594193985 UMTMOMMRTWXHAR-HBFSDRIKSA-N 428.552 4.632 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1594528095 FLFIAWXZZMIZLY-NLFFAJNJSA-N 448.652 4.705 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(CCC)CC1)c1ccccc1 1594544984 PHLSGGRFJCFYMM-QFIPXVFZSA-N 432.616 4.944 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1CC(F)(F)Br 1595099742 HYQLKFHYDWIPQR-UHFFFAOYSA-N 438.320 4.529 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCc2ccccc21 1595228442 CITRQRPIXYZXMZ-HXUWFJFHSA-N 447.608 4.568 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1595343266 ISQMPHUIVAVMIV-RHSMWYFYSA-N 442.188 4.914 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1595884856 VLBBMDNBBLFJEL-SFTDATJTSA-N 433.710 4.877 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)c1ccccc1 1596621763 PRNKXLRJTXVDPT-WXFUMESZSA-N 436.552 4.626 30 10 IJEE C=CCn1c(SCC(=O)NCC(C)(C)CC#N)nnc1-c1ccc(Cl)cc1Cl 1596826595 IKLMCGYQBLXUAU-UHFFFAOYSA-N 438.384 4.586 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCCCC1 1611742270 ADOOATLSDMRSJD-OALUTQOASA-N 445.011 4.686 30 10 IJEE C=C[C@@H](OC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccccc1 1617549944 SUVFCUWSQJJLIC-HXUWFJFHSA-N 432.505 4.544 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CC3(CCC3)c3cc(Br)ccc32)c1 1622102097 CYWHVRDIGCRODN-UHFFFAOYSA-N 437.746 4.605 30 10 IJEE C=CCNC(=O)[C@H](CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1624207073 ZPNINUNGONJZMB-SANMLTNESA-N 440.543 4.829 30 10 IJEE C=C(C)[C@@H](CC(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1)OCC 1624992396 ZLYZGFQXGKAHCR-OAQYLSRUSA-N 432.923 4.818 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 1625173334 XHNMTOJZLBZHNN-OAHLLOKOSA-N 431.539 4.651 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(-c4ccccc4)c(C)c3)n[nH]2)c1C 1625803817 DOHOSWMSAICXBH-UHFFFAOYSA-N 425.536 4.981 30 10 IJEE C#CCN(C(=O)c1cn(C)c2ccc(F)cc12)[C@H]1CCOc2ccc(Br)cc21 1628058073 PPMGPFRZHMKDHG-FQEVSTJZSA-N 441.300 4.679 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cc1OC 1630602370 IAWJNLDBRWLXIT-QPEQYQDCSA-N 426.601 4.632 30 10 IJEE C#C[C@@H](C)N(C)C(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1634325952 OGBBMHAIGYPHJC-LJQANCHMSA-N 438.527 4.819 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(cccc2C(F)(F)F)C1)c1ccc(Br)cc1 1636563150 TYHMGIRSWQSJEL-GOSISDBHSA-N 437.259 4.910 30 10 IJEE C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 1638264048 CCEUFTBWPFCGPI-GHTZIAJQSA-N 434.536 4.985 30 10 IJEE C#C[C@@H](CCC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 1640081072 JEILCMRHBXIZJL-MHPIHPPYSA-N 432.564 4.858 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1644905228 GGDDVZYZWGAOLC-HOCLYGCPSA-N 428.989 4.754 30 10 IJEE N#Cc1ccc(Br)c(CN(c2cccc(CO)c2)C2Cc3ccccc3C2)c1 1653466493 AZEASCPTTFCIPJ-UHFFFAOYSA-N 433.349 4.987 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cnc(-c3c(F)cccc3F)s2)cc1 1656933353 QKQZISYSSKSIPT-UHFFFAOYSA-N 435.521 4.507 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 1657318324 BGBWETLECISTPU-UHFFFAOYSA-N 447.000 4.837 30 10 IJEE Cn1cc(CNC[C@H]2CCCCN2Cc2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 1661291906 HVYVAIFCLWJVAX-XMMPIXPASA-N 433.987 4.756 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 1669069685 VRDBEKOAVQQRDJ-IBGZPJMESA-N 434.508 4.901 30 10 IJEE CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)n1 1672083520 GGPZIUVPBMUBNA-HNNXBMFYSA-N 429.521 4.516 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](Cc3ccc4ccccc4c3)C(=O)OC)cc21 1673307528 UZFCTMHDVGQAOR-JOCHJYFZSA-N 442.519 4.529 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)c1ccc(Br)cc1 1674025714 KUWMTTCQWHFOPA-OALUTQOASA-N 433.733 4.560 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(ccc(OC)c2OC)[C@H]1CC)c1ccc(Cl)cc1F 1674036005 ITKADQRQXYOUJG-WOJBJXKFSA-N 430.907 4.890 30 10 IJEE CN(C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O 1677859980 AKXTYSUBJCMWAJ-KRWDZBQOSA-N 430.961 4.840 30 10 IJEE Cn1cc(CNC(=O)NC[C@H]2CCC(C)(C)c3ccccc32)c(-c2ccc(C#N)cc2)n1 1680669542 CGINHTRCQATBTP-HXUWFJFHSA-N 427.552 4.613 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(Cl)c1 1680875405 RGEDIGPNALTHIJ-HSZRJFAPSA-N 429.907 4.840 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(COc2cccc(F)c2)cc1 1683588682 DXXSLVJUGXYELD-UHFFFAOYSA-N 447.510 4.635 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CCC(N)=O)CC1 1689880298 YBIWPGYIUVLWHP-UHFFFAOYSA-N 435.616 4.528 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)CC1CC(F)C1 1689902062 ULXLSHZDOOCJTD-UHFFFAOYSA-N 449.368 4.607 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1690223117 FCLKSSSMPLNHFY-HALDLXJZSA-N 437.769 4.750 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C)(C)CC1 1690255525 RXPCOCOCZFIPRT-XRXFAXGQSA-N 430.637 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(O)C(C)C 1690259257 CKFCRQFDDICGCP-FQEVSTJZSA-N 439.373 4.656 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC(C)C)C1CCCC1 1690273091 FBFXDQVSXOXJEE-UHFFFAOYSA-N 429.996 4.843 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1690278870 TVVOVWWWYNEOGR-UHFFFAOYSA-N 432.753 4.969 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@H](C)C1 1690304904 QTSCXTJNFQODRU-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(Nc2cccnn2)CC1)c1ccccc1 1690444930 OIRFLNAXDWMMBT-JOCHJYFZSA-N 445.615 4.707 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1690519450 JSHQEBDDZGDYSZ-SIKLNZKXSA-N 445.405 4.843 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690563555 WHDZIZZUOYLKTK-FDFHNCONSA-N 439.648 4.872 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@H]1C 1690605687 UCJITBFLDRBHQZ-HOYKHHGWSA-N 440.975 4.978 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690747326 YQSJZUJEXRGEFJ-HXUWFJFHSA-N 447.048 4.573 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)C12CCC2 1696189695 GKZDUBNKLVGJBW-VXKWHMMOSA-N 437.588 4.559 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](COCC)C1 1705514660 DUXSHKYNLHPMEE-FQEVSTJZSA-N 433.556 4.657 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CC(=C)Br 1705617210 XBWYNDPLKGHUPM-UHFFFAOYSA-N 431.378 4.657 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCC1=CCCCC1 1705620476 VAZQAVGHAOJPIE-UHFFFAOYSA-N 429.543 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 1705702770 OSZQZQAQJADNFH-RDGATRHJSA-N 437.632 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(OC)CCCCC1 1705716559 OCGSDMKXWPHLHE-OAQYLSRUSA-N 426.561 4.542 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCCSC 1705721021 VRKPCVOPRWHSFZ-SFHVURJKSA-N 437.654 4.896 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2CCC[C@H]21 1705731934 ITYAXYIPJUCZJY-PKOBYXMFSA-N 431.378 4.597 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](SC)C(C)(C)C)CC1 1705778584 BYAMZXJUAQVLEX-NRFANRHFSA-N 442.629 4.896 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1nc(C(F)(F)F)cs1 1705799024 JFIJDLLVCMRQMJ-HNNXBMFYSA-N 443.539 4.878 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705801508 HARKJEREAFEPIU-UHFFFAOYSA-N 440.954 4.816 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705801781 RHCCHCCSICMWPM-KRWDZBQOSA-N 448.409 4.523 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1705823802 VYXZIVMVFOBGBS-UHFFFAOYSA-N 434.993 4.579 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCSC(F)(F)F)C1 1705919892 MKIABFMTKJSDMO-OAHLLOKOSA-N 438.475 4.726 30 10 IJEE C=CCSCCn1c(COCC)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 1705948656 AXQHFMOIZBMOKD-UHFFFAOYSA-N 425.602 4.599 30 10 IJEE CC(C)N(CCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC#N)C(C)C 1706743900 GVPKLHSRLXNJER-QGZVFWFLSA-N 447.425 4.565 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1709729923 FMTRTRPPPZTREH-UHFFFAOYSA-N 436.560 4.795 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1722309258 WGJJBTJEOMYBKZ-XLIONFOSSA-N 432.515 4.774 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCOCC 1722495883 IHSDDFVNNDUJBJ-HNAYVOBHSA-N 439.387 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1722499940 NWQRDUGVAJGIIW-QFIPXVFZSA-N 425.621 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCO[C@H]1CCOC1 1722503905 WVMKSAQTQYCUOG-QUCCMNQESA-N 444.645 4.729 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](F)C1 1722595221 MEIKISCCQPUTHX-MSOLQXFVSA-N 438.551 4.915 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1722610821 DMKCWBVCIHBJNY-MAUKXSAKSA-N 431.462 4.616 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1N(C)CCCC1(C)C 1722635280 OWRSVWYQGZFDNO-UTKZUKDTSA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@]1(C)CCCS1 1722654120 JCXWGLSRANXEHW-RUZDIDTESA-N 449.624 4.751 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(O)(CC)CC)C1 1722717860 NQYKODUXBMEGEB-OAQYLSRUSA-N 426.605 4.575 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722733798 MLCWNSFATPRLOH-DKSSEZFCSA-N 436.984 4.518 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)CCC(F)F 1722736230 YBJITMOSNRENND-UHFFFAOYSA-N 431.350 4.718 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740576315 UKLMHEHZTLJVFV-UHFFFAOYSA-N 429.609 4.623 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(C)(C)CN1CCCC1 1740662554 UVZIKZINQSEDLW-QFIPXVFZSA-N 437.632 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)c3cccs3)CC2)nnc1C(C)(C)C 1740767785 RCNXOVLVUANOHA-RXVVDRJESA-N 442.629 4.718 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(c3cccc(C)c3C)CC2)nnc1C(C)(C)C 1740768125 UCVFAUJTJBHZRP-FYYLOGMGSA-N 437.632 4.500 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1740780060 SRPDGXBQJWWZPX-UHFFFAOYSA-N 430.600 4.968 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1Nc1cnn(CC2CCC2)c1 1740814907 HLHCXOUSHBOGHC-UHFFFAOYSA-N 426.952 4.912 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740864653 CNKWGTXCRRDVJY-OAQYLSRUSA-N 441.526 4.957 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1740893671 SCOBBAQPOHDXNA-HDICACEKSA-N 447.574 4.925 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1741002539 NOFVRQXESZSIHX-TYPHKJRUSA-N 426.630 4.812 30 10 IJEE CCCOc1ccc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1745813586 HQWWXSBAGOSRRJ-VWLOTQADSA-N 430.556 4.616 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)CCOC 1748829034 ROWMMGANTMDXLX-UHFFFAOYSA-N 441.000 4.949 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCSC1(C)C 1748939108 PVNFYAZPKLGWLE-KRWDZBQOSA-N 430.643 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1749287967 IPXDNVUFGTWEBX-OALUTQOASA-N 445.558 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@H](C)N(C)C)CC1 1749331338 YGSMBGGSUQWIQF-KRWDZBQOSA-N 436.629 4.730 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(OCCC)nc2)CC1 1749343612 MZBHBDOPFNGZHS-UHFFFAOYSA-N 435.547 4.643 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1749422001 VIRANTYWXMOAEA-KSSFIOAISA-N 426.779 4.980 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(SCC)c1)C1CC1 1749527483 GRINXXPBVVPYGM-TZIWHRDSSA-N 441.645 4.907 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCCc1cccc(C)n1 1749541906 WELBMUFCTLAXFM-UHFFFAOYSA-N 430.531 4.941 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@](C)(O)C1CCCCC1 1749544548 JMKLGVWIDOAFNS-VWLOTQADSA-N 426.580 4.894 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1760129225 GJARVTSKIVGMNM-MDNUFGMLSA-N 433.600 4.966 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1Cc1sccc1Br 1760199887 MEVKNCUDJXWDKD-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1ccc(F)c(F)c1F 1760296371 PABQDBFEWFWQJS-JOCHJYFZSA-N 430.499 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1 1760323262 CDXHXNBIMUERAM-WIOPSUGQSA-N 449.599 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1760334295 YYHIZDQQUBKJIP-NRFANRHFSA-N 440.542 4.632 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)OC)CC1 1760399241 FKKXWPJSGWCZLR-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760413794 UTEDVKCCLVFPRJ-OAQYLSRUSA-N 434.588 4.855 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760422272 CZAVKPFDPKLZNT-SFHVURJKSA-N 435.538 4.937 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC=C(COC)CC1 1760422539 JYWWYIVJPKKCRD-UHFFFAOYSA-N 437.407 4.908 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760446571 WBHLUMQKODVZJJ-JTHBVZDNSA-N 438.616 4.841 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cnccc1OC)C1CC1 1760476120 HGLCYNVMNISRNC-UHFFFAOYSA-N 447.583 4.761 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1Cc1cnn(CC(C)C)c1C 1760481801 ICOKEEKFLCYHGE-UHFFFAOYSA-N 441.583 4.742 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1760483972 IKHZRNAUKZRCCK-DNVFCKCGSA-N 430.618 4.774 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1CCC(OC)CC1 1760485359 ZXFVXWFTPDLQNL-UHFFFAOYSA-N 449.574 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1oc(CCC)nc1C 1760485911 VOVWTSATIGMCJA-UHFFFAOYSA-N 436.585 4.835 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(Cc1ccnn1C)C1CC1 1760506728 KPWGELJHNYNOPT-KRWDZBQOSA-N 440.979 4.777 30 10 IJEE CC[C@H](Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@](F)(C#N)C1)OC 1762325668 DWTHMSMGUWJUID-CECAUBDESA-N 449.958 4.555 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C(C)C 1762643767 GEADQROTIZAFKA-VGOFRKELSA-N 448.571 4.762 30 10 IJEE CCC[C@@H](Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@](F)(C#N)C1)OC 1763886445 FWWYEJYIFUKERK-YADARESESA-N 443.567 4.546 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCC[C@@H]1CC 1764083279 AUAHBNPFWQPPCC-SFTDATJTSA-N 436.604 4.531 30 10 IJEE COCCCN(C(=O)c1ccc(F)c(F)c1F)[C@@H](C#N)c1cccc(Br)c1 1857958359 KRMMMMOLAWLKCR-INIZCTEOSA-N 441.247 4.610 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)CCc1ccc(Cl)cc1 1861109194 OGAASZUIWSYYBU-HXUWFJFHSA-N 427.054 4.987 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCSC)NC(=O)COc1c(C)ccc(C)c1C 1861665854 VNYDXHMGUZNKRK-OAQYLSRUSA-N 436.662 4.705 30 10 IJEE CCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccc(Oc2ccccc2)c1 1861765740 OFNDVGWUYWRGMN-ZJSXRUAMSA-N 438.568 4.531 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(OC)c2)cc1 1862390369 BVSYSHSHYJGBIA-QHCPKHFHSA-N 437.536 4.653 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862458953 YWNHLLBRSZJJGS-HXUWFJFHSA-N 433.426 4.737 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504193 OCNHFOIGNWFUQZ-QHCPKHFHSA-N 449.526 4.536 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)c(O)c2)cc1 1862531501 OTTUCPNLDMEDEW-QHCPKHFHSA-N 435.520 4.874 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1cccc(Br)c1 1862539938 CDZKCBCLTGGIMB-IBGZPJMESA-N 426.310 4.776 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCN(C)C)cc1 1862649375 WXBGRTLXDCBPGL-XMMPIXPASA-N 428.532 4.678 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(OC)c1 1862749458 YYXCQYNWMHDREI-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCOc1ccc(C2=C(Nc3cc(C)cc(C)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839511 RDULWDPSYZFPFA-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1cccc(-c2nc(Nc3ccccc3C#N)cc(N3C[C@@H](C)OCC3(C)C)n2)c1 1868511256 SIPFRMBAXKXIJK-QGZVFWFLSA-N 429.524 4.771 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1C 1870090372 JFLDTRJYOYFNQL-UHFFFAOYSA-N 442.556 4.711 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O3)CN(CCc1ccccc1)CO2 1871344697 SHFNLOIHWOOPNM-UCQKPKSFSA-N 442.471 4.914 30 10 IJEE Cc1cc(OC(=O)/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 1871385432 SDRBGTONJJTHLA-RUBCORFASA-N 426.424 4.959 30 10 IJEE Cc1c(OCCC(=O)OCCC(C)C)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871429102 IHERNLUDWXKXQJ-XKZIYDEJSA-N 438.476 4.698 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871437728 ABYXSEAREZTTPP-XHEYCZLTSA-N 437.275 4.567 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871846771 JMJUWBDPTNTJGP-ZDUSSCGKSA-N 445.343 4.727 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872081001 ZQIRIVZBTMRQKA-OAQYLSRUSA-N 434.989 4.742 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872267648 JPLQKZBXTZNDFU-DYESRHJHSA-N 434.989 4.879 30 10 IJEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 1872759127 FJVDYRBEVPZKLV-KOEDOTQGSA-N 435.461 4.625 30 10 IJEE O=C1C(O)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1F 1872955317 CEIDSHYCBZGEPH-UHFFFAOYSA-N 433.279 4.701 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccc(-n3cccc3)cc2)C1=O 1873035804 KJJUAMYSVJFURS-UHFFFAOYSA-N 437.584 4.544 30 10 IJEE O=c1cnnc(SCc2ccccc2F)n1/N=C/c1ccc(-c2ccccc2Cl)o1 1873495466 SZWLLNMQHRSHHQ-OPEKNORGSA-N 440.887 4.865 30 10 IJEE COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2ccc(C#N)cc2)cc1 1873866560 BCHPUENAVQJQHD-VWLOTQADSA-N 440.503 4.552 30 10 IJEE CCCCCCCCCCNC(=O)Cn1cnc2c(N3CCCCC3)nc(Cl)nc21 1873936763 QFHDTJONCCRTQC-UHFFFAOYSA-N 435.016 4.727 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccccn2)cc1 1874292950 UNKIZCOFIRKKIT-VULFUBBASA-N 449.511 4.574 30 10 IJEE OCCCSc1nnc(CCc2cccs2)n1/N=C/c1c(Cl)cccc1Cl 1874374102 HJIJNKWYAHAOLY-CIAFOILYSA-N 441.409 4.788 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1cccc(OC)c1OCCC 1874413222 ILCAHRDWSWNNKJ-PXLXIMEGSA-N 428.583 4.888 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccc(O)cc2)o1 1874438137 LWIDCWOZRVMAAI-YDZHTSKRSA-N 442.541 4.517 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccc(C)cc1 1874478994 CIPWRKPNWGQYRV-ZVHZXABRSA-N 432.553 4.752 30 10 IJEE COCc1nnc(SCc2c(Cl)cccc2Cl)n1/N=C/c1cc(C)ccc1O 1874502769 YTZMJRQNPPDKRA-LSFURLLWSA-N 437.352 4.920 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC(=O)c1ccc2c(c1)OCO2 1874699665 HCGOQICXCHXODA-FARCUNLSSA-N 438.382 4.817 30 10 IJEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(OC(=O)C3=NNC(=O)CC3)c(Cl)c2)cc1 1875148885 YTWCDAWCHWEUFD-NYYWCZLTSA-N 438.911 4.705 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc(OC)c1OC(=O)CC 1875194872 CTBCFFJGBMKSQN-ZRDIBKRKSA-N 440.492 4.661 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3ccc4[nH]c5c(c4c3)CCCC5)n[nH]2)c1C 1891728193 JPAWWBQGHJAVQT-UHFFFAOYSA-N 442.567 4.756 30 10 IJEE CC(C)[C@@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CN1C(=O)OCc1ccccc1 1892795266 YYXORLWPINEUQC-GBXCKJPGSA-N 427.545 4.715 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1CSCCN1C(=O)OC(C)(C)C)NCCC 1922085716 KSKBYBNLOJEMNC-FGZHOGPDSA-N 434.646 4.870 30 10 IJEE C=C(I)CN1CCCC12CCC(N(C)C(=O)OC(C)(C)C)CC2 1992154046 VFFGMTHWUPIKMY-UHFFFAOYSA-N 434.362 4.579 30 10 IJEE C[C@H]1CN(c2ccc(C#N)cc2Br)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297545 VNROOHBQXABJQV-IYBDPMFKSA-N 428.330 4.557 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(Br)c1F 2047924378 MZVCAGYCDYMANY-CYBMUJFWSA-N 432.717 4.660 30 10 IJEE C#CC[C@H](C[C@@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)C1CC1 2076092709 QWPINYVYZREBIM-OASJLCFRSA-N 440.628 4.858 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1C 2079015537 WDBGOIIJIBISTC-HNNXBMFYSA-N 427.236 4.913 30 10 IJEE O=C(O)c1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079144115 UWVMXELKHLXXOU-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CC[C@@H](c1ccc(OC)cc1C)n1nc(C(C)C)c(C=NO)c1I 2079882155 ZNJICYFXAOTNFL-INIZCTEOSA-N 441.313 4.736 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNc2cc(Br)cnc2C#N)C1 2167615917 ARDBDLHDOZWOAV-CQSZACIVSA-N 435.366 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2c2cc(Br)c(C#N)cc2F)C1 2174768633 DRKJFWDBQUAZCO-DYVFJYSZSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CCCCN(c2ccc(Br)cc2C#N)CC(F)(F)C1 2174769644 LNOXPKYKXOIJHV-UHFFFAOYSA-N 444.320 4.793 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCN(c3ccc(C#N)c(Br)c3F)CC[C@@H]2C1 2174809806 DUUZFZCFRKNKQS-HUUCEWRRSA-N 438.341 4.543 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 2180926622 ANFPUHZMQCXGTR-QGZVFWFLSA-N 435.362 4.524 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@](C#N)(C3CC3)C2)c1 2181047554 PAMPYEDNILSZPQ-HXUWFJFHSA-N 434.334 4.562 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](COc2cc(Br)cnc2C#N)CC1 2198810296 CYYIDTZUGMCINY-HJGJAMNPSA-N 442.329 4.518 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CC 2224265683 INEHBFKTJRJLJO-PBHICJAKSA-N 429.403 4.566 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N(C)Cc2sc(C)cc2Br)C1 2229397713 GDTCBCGMZZTDPA-UHFFFAOYSA-N 443.407 4.639 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)c1ccc(NC(=O)OC(C)(C)C)cn1 2235730304 OFTWFXFXTWLZJF-SFHVURJKSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@@H](O)C#Cc2ccccc2Br)CC1 2235739270 GWITWYDIFWFWOC-MDKPJZGXSA-N 440.353 4.585 30 10 IJEE CCc1ccc(C#CC(=O)c2cc(Br)ccc2I)cc1 2239733912 AKMFPQPXWZKJPO-UHFFFAOYSA-N 439.090 4.851 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCC[C@@H]1C#N 2243918234 CRUJWMVKRYRFIB-YWWLGCSWSA-N 445.563 4.748 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 2247930808 KVMVBJZDBHEJMD-QGZVFWFLSA-N 425.403 4.797 30 10 IJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2248474178 OCOFRBJICKGDEZ-GOTSBHOMSA-N 427.633 4.596 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@]2(O)C#Cc2ccc(Br)cc2)C1 2296288394 GTCSRXDHXKRADN-FCHUYYIVSA-N 434.374 4.733 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2296298585 LPXRXVYTVHKAPC-ZCNNSNEGSA-N 435.406 4.862 30 10 IJEE C=CCN1C(=O)C(=Cc2cccc(OCCOc3ccc(OC)cc3)c2)SC1=S 2297624666 YXVQYIMVWCJUPQ-UHFFFAOYSA-N 427.547 4.540 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 2314477333 FMGKBGRYBGLTET-XMMPIXPASA-N 432.564 4.524 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1c[nH]c2ccccc12 2320964741 GIGLFZFAOUUQLT-UHFFFAOYSA-N 432.553 4.552 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nncn2N=Cc2ccc(C(F)(F)F)cc2)c1 2321215821 SOXVIZOINCLCNW-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)Oc2cc(OC(=O)c3ccc(F)c(F)c3F)ccc21 2323126669 FZMOTGVYFAWTNY-UHFFFAOYSA-N 441.317 4.848 30 10 IJEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccncc3)C4=O)cc2nc1C 2323556451 JPSNGPBVFLRSEY-UHFFFAOYSA-N 437.455 4.785 30 10 IJEE CCOc1c(OC)cc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2323851967 ATLVDVAGBGTFIS-UHFFFAOYSA-N 443.525 4.689 30 10 IJEE CCOc1c(Br)cc(C=C2CN(Cc3ccccc3)CCC2=O)cc1OC 2323865433 ARPRORXIDTXXDB-UHFFFAOYSA-N 430.342 4.715 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)c1 2324825905 ZYLJUUOTGURFNO-MRXNPFEDSA-N 431.444 4.813 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O 2324893478 TUKSWFWIZQFLPX-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3cnc(C)cn3)c2)cc1Cl 2325759573 OXTREMMICFBESK-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2327576025 GGNAJEZXRRZVHE-UHFFFAOYSA-N 444.944 4.666 30 10 IJEE CCSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cc(Br)ccc1F 2329268143 SANDIUWLDCDSMK-UHFFFAOYSA-N 449.349 4.773 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2)cc1 2330776994 WNJHEFIAGSNQLT-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2[C@@H]2CCCO2)cc1 2330911343 PKEFAJWSVZSLIR-NRFANRHFSA-N 449.580 4.613 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2sccc2C)c1 2331116061 DQDHWEKMWVYJEW-UHFFFAOYSA-N 439.488 4.588 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2F)c1 2331429566 HNLJEKLWFSQPLD-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(Cl)c(Cl)c1 2331480892 NSJYHGNUSVCHBA-UHFFFAOYSA-N 440.400 4.695 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cc(Cl)ccc1O 2331637768 VEKOGSHKJDXWOA-UHFFFAOYSA-N 443.960 4.511 30 10 IJEE COC1(C#CC(=O)c2ccc(Br)cc2I)CCCCC1 2363621128 OMQHKMSFUYEXDE-UHFFFAOYSA-N 447.110 4.589 30 10 IJEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1ccc(C#N)cc1F 13106561 CJAKPKUGCVNAOU-IBGZPJMESA-N 437.298 4.892 30 10 IJEE O=C1/C(=C/Nc2ccccc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccsc21 20575724 SPDNSFSPJQWBPF-PDGQHHTCSA-N 430.938 4.888 30 10 IJEE CC(C)c1ccc(C(=O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2ccc3c(c2)CCCC3)cc1 22691848 CTVKEJLZXOJUTF-HSZRJFAPSA-O 437.629 4.684 30 10 IJEE O=C(/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 24522068 WIFGYCCMPQJFHL-NUVWRXCPSA-N 445.519 4.980 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2cc(C)cc(C)c2)Nc2ccccc2OC)c1C 32973323 BTXSMLBRELUWDP-UHFFFAOYSA-N 447.583 4.586 30 10 IJEE CCCCCCn1c(O)c(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(C)c(C#N)c1=O 38627184 CMODDPUZKAIZTO-INIZCTEOSA-N 430.932 4.926 30 10 IJEE C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OCC)c(OCC)c1 39910818 AFXGZMVWTVPWDA-JOCHJYFZSA-N 433.504 4.938 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 63392577 ANCSZVOAXIWZAV-UHFFFAOYSA-N 436.512 4.831 30 10 IJEE COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 83259348 OYMQCAYQHNLYEC-LCYFTJDESA-N 433.416 4.727 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccccc2C#N)C1 95074529 YJJYRLIYOAWUNF-OAQYLSRUSA-N 445.567 4.792 30 10 IJEE CC(C)(C)OC(=O)NCC1CCN(c2nc3ccccc3n2Cc2ccccc2C#N)CC1 95087886 PCNQKYDUFDMRQD-UHFFFAOYSA-N 445.567 4.697 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(F)cc2)cc1 103112707 GURUIONECLTQPU-LAFOYAEKSA-N 438.480 4.534 30 10 IJEE CCOc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(C)cc3)C(=O)c3ccccc32)cc1 103746123 PHKMCEMLUDZSGM-SLEBQGDGSA-N 446.528 4.764 30 10 IJEE COc1ccc(-n2ncc(N/N=C\c3c(OC)ccc4ccccc34)c(Cl)c2=O)cc1 169895207 JUMVHASMRRKDPA-MXAYSNPKSA-N 434.883 4.502 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)c1 169957734 VZBUASBKAXQZPD-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2cccc(C)c2)c1 169966317 OCDGPYWTLCALTA-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccn1 169996943 APRIMEJJYCCAQQ-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccco2)cc1 170094981 AZEXUYZWGVLZQB-NRFANRHFSA-N 448.431 4.758 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccco1 170098208 WAOSOVQFGVFSBO-FQEVSTJZSA-N 446.484 4.989 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccn2)ccc1Br 170181933 GPYMBTYFQQYRRK-LJQANCHMSA-N 441.325 4.673 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)ccc1Cl 170230948 OCZRYZOKVNOCMN-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccco2)c1 170278645 XTXOLEUBHLKPKC-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccco1 170290888 OHVUXGDXVCFANT-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)cc1C 170290936 HGYXVRWDQRTGIA-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)cc1 170301258 SWCRDYWJJMOVIC-QFIPXVFZSA-N 428.444 4.861 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccc(C)o2)c1 170304613 HXNLPBIVOGOKHY-HSZRJFAPSA-N 445.471 4.710 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C)o1 170308636 CTAZIEDPCAHSHM-QFIPXVFZSA-N 441.524 4.546 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2sccc2C)c1 170314497 GBXGZBXYISMRCV-FQEVSTJZSA-N 435.501 4.944 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2sccc2C)cc1C 170317905 ZKSLOAINOQJDKA-HXUWFJFHSA-N 443.565 4.769 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(OCCO)c1 170324748 PIHGSTKUYBENPW-XMMPIXPASA-N 445.515 4.589 30 10 IJEE O=[N+]([O-])c1ccc(C=NNc2cc(N3CCCCCC3)nc(N3CCCCCC3)n2)cc1 254766734 QIYKSACABRUYDC-UHFFFAOYSA-N 437.548 4.592 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)c2ccc3c(c2)CCCC3)S/C1=N\N=Cc1ccccc1 390825682 IHRJXNUVDZFSBF-MERZJHADSA-N 431.561 4.658 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(OC)c(Br)c1)NCC 407059289 IGUDCFSTUCBHMG-ROUUACIJSA-N 441.410 4.838 30 10 IJEE COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cn1 426136624 AYBYXDOVKQQEDY-UHFFFAOYSA-N 438.871 4.738 30 10 IJEE N#Cc1ccnc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 436011612 QQWKKLRVQMVOPT-UHFFFAOYSA-N 433.474 4.875 30 10 IJEE C=CCOc1cccc(NC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)c1 437396501 QEHAIMDLAJGONT-LJQANCHMSA-N 426.517 4.857 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 460372978 YREGJCYQVPJMFT-OXJNMPFZSA-N 426.952 4.723 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 463753018 DODDZFJABNWKOA-QFIPXVFZSA-N 440.927 4.502 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)NCCCOC(C)C)CC1 475565567 WTYZUJOGDZLAQO-UHFFFAOYSA-N 429.605 4.714 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(CCOc2cccc(OC)c2)CC1 475587183 VYSZNRYSMJKBAX-UHFFFAOYSA-N 437.584 4.776 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)CCc3cc4ccccc4nc3O)s2)cc1 503531072 RKKDRMVRZXQSOP-UHFFFAOYSA-N 447.545 4.527 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1cncc(Br)c1)C1CC1 505359302 IRTXYVUHUNQDOO-IBGZPJMESA-N 445.317 4.601 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508463584 HWHSDBORAIESPD-HKUYNNGSSA-N 432.503 4.544 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 508497897 OFGCUZWOEWSPOQ-QFIPXVFZSA-N 432.616 4.560 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CN2CCCC2)CC1 508911371 APWJRLGBBRMSNR-SFHVURJKSA-N 429.996 4.570 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 509010349 INPOOTGFYUYXQY-UHFFFAOYSA-N 434.931 4.629 30 10 IJEE CC(C)c1cc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)nn1C(C)(C)C 513695755 LJQQZYSQCRWELA-AWEZNQCLSA-N 437.569 4.841 30 10 IJEE COc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc(Cl)c1OC 526491679 NYURBWXNWPLTRU-HXUWFJFHSA-N 436.851 4.879 30 10 IJEE COc1cc([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc(OC)c1OC 526605661 DMKZLNJCTNZESA-OAQYLSRUSA-N 448.500 4.703 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 576195749 RKOOCCOIRYITNN-QZTJIDSGSA-N 434.462 4.536 30 10 IJEE N#Cc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 586209179 XONKQUNMWLNAPX-UHFFFAOYSA-N 445.313 4.855 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 586246694 YOXADEFCSAKZJX-UHFFFAOYSA-N 426.925 4.924 30 10 IJEE Cc1ccc(N=C2S[C@H](C(=O)Nc3ccc(Br)cc3)CC(=O)N2C)cc1C 725435917 KZIHMXYKWDEUHP-KRWDZBQOSA-N 446.370 4.656 30 10 IJEE COc1ccc(-c2ccncc2)cc1[C@H]1NC(=S)NC(c2ccc(C)cc2)=C1C(C)=O 775238210 GLDRFZRXGVXUIO-XMMPIXPASA-N 429.545 4.585 30 10 IJEE C=CC[C@@H](NC(=O)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1)c1ccncc1 785559363 HFOOEQKJFXEMOH-GGAORHGYSA-N 433.577 4.906 30 10 IJEE C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2CCCC=C)c1 790285402 QGPCUNHXYMCEOV-QFIPXVFZSA-N 447.560 4.603 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)/C=C/Sc1cc(F)ccc1F 797943101 NEEFQPKLYKKEAI-GFUIURDCSA-N 436.867 4.889 30 10 IJEE Cn1cc(CNc2cc(C(F)(F)F)cc(Br)n2)c(-c2ccc(C#N)cc2)n1 806671000 LDNWNYPGOBYSNK-UHFFFAOYSA-N 436.235 4.747 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC2(CC1)OCCO2 812185559 SJKFWBUECBYXMF-UHFFFAOYSA-N 430.961 4.733 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1 1126216837 NXJQRFXJFLQIRR-UHFFFAOYSA-N 438.325 4.543 30 10 IJEE C=CCOc1ccc(COC(=O)C2(c3ccc(I)cc3)CC2)cc1 1127857016 XZMUKTFNLVDYSO-UHFFFAOYSA-N 434.273 4.631 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CCC1 1136882117 BTPLZNWYGRALPG-FQEVSTJZSA-N 425.554 4.596 30 10 IJEE CCN(CC(=O)N1CCCC(C)(C)[C@@H]1C#N)C(=O)OCC1c2ccccc2-c2ccccc21 1140096846 GQLDHXFABZMROY-DEOSSOPVSA-N 445.563 4.798 30 10 IJEE C=CCN(CCC#N)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1141409533 XVVSNJRAXSNXKS-XMMPIXPASA-N 445.563 4.868 30 10 IJEE C=CCO[C@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1152319415 HLNMFUFFCJMDOX-KSSFIOAISA-N 443.371 4.705 30 10 IJEE C#C[C@H](NC(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1156083387 AGQSKKRCTVZJEG-DQEYMECFSA-N 430.548 4.634 30 10 IJEE C#CCC1(NC(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)CCCCC1 1156690311 KBLKQQYCWXXFBY-UHFFFAOYSA-N 431.330 4.781 30 10 IJEE Cc1ccccc1COc1c(C)cc(CN(C)S(=O)(=O)c2ccccc2C#N)cc1C 1187004919 DBBRSINRSHVVPP-UHFFFAOYSA-N 434.561 4.883 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1191624179 CBVVMTPNVRGPFO-NSHDSACASA-N 436.377 4.978 30 10 IJEE Cc1cc(Br)c2c(c1)CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 1193615770 FHUSZLHGLIXFLY-UHFFFAOYSA-N 432.749 4.670 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(OCc2ccccc2)cc1 1208723801 SQIWLBFGXGNUQU-UHFFFAOYSA-N 438.501 4.583 30 10 IJEE C[C@@](NC(=O)NCCC1CCN(CC(F)(F)F)CC1)(c1ccc(F)cc1)C(F)(F)F 1220258353 CTJFTGTWIYZJNQ-QGZVFWFLSA-N 443.407 4.567 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1ccc(F)c(Br)c1 1224108511 FCAAXHMMLCNZDN-YLJYHZDGSA-N 430.321 4.612 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 1252970831 LWCVMELZHXZOCX-OXJNMPFZSA-N 448.405 4.944 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)Cc2ccccc2F)c(C(=O)OCC)c1C 1264357695 WKWCHEJWBDMODN-ZDUSSCGKSA-N 433.501 4.532 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1 1267606671 GHCGRAXVYHJCRH-FQEVSTJZSA-N 444.760 4.528 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2C)nc1-c1ccc(CC)cc1)C1CCOCC1 1280094616 BXOHBLXPAHLJHW-DEOSSOPVSA-N 427.548 4.568 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=C)Cl 1286422015 UGQVCZZBBIJKTO-UHFFFAOYSA-N 438.156 4.576 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CC)CCC1 1286460706 QQYOUEGCRHWDLB-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCC(C)CC1 1286568050 XEZRVOJYNFWNLG-VIUKZODJSA-N 429.634 4.630 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](COCC)C1 1286633202 HZZCJUJLKWOFIA-AWEZNQCLSA-N 445.778 4.779 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCC[C@H](C)C2)CC1 1286639903 DCFQCEJJNDXLDL-FQEVSTJZSA-N 438.576 4.522 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1286654496 KCWJJCCCZZTBQT-HXUWFJFHSA-N 437.632 4.867 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286691335 FWPYZOJLCJITBZ-XMMPIXPASA-N 430.568 4.994 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@H]1CCSC1(C)C 1286747969 RCHCWVNCGMJCPU-GOSISDBHSA-N 438.576 4.599 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1c(F)cccc1Cl 1286764033 CWFNGMUTFJXATA-UHFFFAOYSA-N 425.895 4.942 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC2(CCCCC2)C1 1286774854 LYEBYGNRVXINJA-UHFFFAOYSA-N 429.609 4.739 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CC2(C)C)C1 1286805087 QGXPYJLXBROYAZ-GOEBONIOSA-N 449.368 4.674 30 10 IJEE C#CCN(CC(=O)NC(CC)(CC)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C 1293192790 AWELWFMJHSHBOR-UHFFFAOYSA-N 427.372 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(CC)nn(C)c1CC 1300286849 OSBUMUACNISJQY-CQSZACIVSA-N 445.398 4.616 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc2c(n1)CCCC2 1300324582 HTHCNXISCYLZBE-LJQANCHMSA-N 431.609 4.659 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CCc1ccc(Cl)s1 1300649070 KHCROJGGEDAMFE-UHFFFAOYSA-N 432.952 4.551 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1Cc1ccncc1Cl 1300816213 JWYFQQLZPXOGRL-XMMPIXPASA-N 435.959 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1300876343 SDPKAUYKBZFHDG-ZQGUIEJASA-N 444.645 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCC(C)CC2)cc1 1300919090 URDBPURIJXHGJE-UHFFFAOYSA-N 444.627 4.951 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1301170087 NTKFQBSQHDRJCK-DENIHFKCSA-N 437.588 4.507 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1 1301196960 BUDPLEIUEAEFOV-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1301228001 ZANCJQZIQIBNCD-OAQYLSRUSA-N 433.556 4.589 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1ccsc1 1301272132 BZBFDJKHWADCFS-WZONZLPQSA-N 426.586 4.626 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1301410319 BWOTZBDMIXRLMM-NBGIEHNGSA-N 436.604 4.612 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)c1ccc(C)cc1 1301484577 IPXZHITVDKWKED-UHFFFAOYSA-N 435.597 4.654 30 10 IJEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl)C1CC1 1306842322 BIFULSQXXILHIN-UHFFFAOYSA-N 444.984 4.721 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nnc1-c1ccccc1 1307240905 WXHYMVLGYANIIE-GOSISDBHSA-N 428.920 4.821 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCCOc1ccc(Br)cc1 1307289904 AGYCZMDCGRRZPZ-UHFFFAOYSA-N 430.371 4.989 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc3ccccc3o2)c1 1309007991 XYWVWNDLSHRQRA-UHFFFAOYSA-N 434.469 4.996 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1F 1312231710 RZOPHIYLGPKZRE-BBATYDOGSA-N 441.703 4.985 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1F 1312231711 RZOPHIYLGPKZRE-VOJFVSQTSA-N 441.703 4.985 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(F)cc1 1312934060 IGBIBVXFHRJOAM-RBBKRZOGSA-N 443.563 4.569 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2ccc(OC)cc2OC(C)(C)C1)c1ccc(Br)cc1 1312937423 PVHPHEVFZXFNDT-LJQANCHMSA-N 443.341 4.515 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)CCCC1 1348752886 IRMWTCHETWOMGD-UHFFFAOYSA-N 428.554 4.879 30 10 IJEE C=CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 1355277563 FUGWVFNYALZYJR-UHFFFAOYSA-N 433.618 4.536 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Br)nc(Br)c1 1355290803 WCEKGRKPZIKQQQ-UHFFFAOYSA-N 428.099 4.574 30 10 IJEE C=CCCC[C@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 1357255518 WEDMIHMJMKCLSX-RSXGOPAZSA-N 446.639 4.582 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2c[nH]c3ccccc23)c(C(=O)OCC)c1C 1357806053 MVYIWIPEENLOPI-UHFFFAOYSA-N 440.521 4.629 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1358912685 WGVATLQSJZSVJP-WIYYLYMNSA-N 428.964 4.634 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCCN(C2CCCC2)CC1 1358921309 UUGKCIUBPFVONR-QHCPKHFHSA-N 449.643 4.903 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1nc2c(s1)C[C@H](C)CC2 1359013265 REXJURMGPIJMHK-GOSISDBHSA-N 449.624 4.563 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1cccnc1)C(C)C 1359071483 RCAOMSFJWZZZPZ-QFQXNSOFSA-N 449.549 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1c(CC)noc1C 1359108321 JLNNHETWAWWESH-UHFFFAOYSA-N 431.544 4.645 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1359205052 JXBAIKDLNQMLFZ-DEOSSOPVSA-N 436.648 4.713 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[S@@](=O)C(C)(C)C 1359268641 XTFVAKCJMAWPOV-NOVUIFNWSA-N 446.686 4.857 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(F)(F)F)c1 1359277630 RHCGMDXLSKKWEB-GOSISDBHSA-N 446.473 4.677 30 10 IJEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1359288323 XCYKTFTUCIOEAN-NRFANRHFSA-N 437.632 4.544 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359337640 XKGNFTSEEGQBDQ-CUWPLCDZSA-N 446.592 4.624 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)c1 1359978687 HAIBRGJTKCFWCX-LJQANCHMSA-N 443.341 4.659 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)cc1 1360416084 OZNWFSARCVFOGK-UHFFFAOYSA-N 440.341 4.634 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@](C)(O)c2ccsc2)c2ccccc2n1 1361044883 HNBMTZCLEGLJHD-OSPHWJPCSA-N 446.580 4.509 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(c3ccccn3)CCC2)c1 1361144433 ICRASFLKABJSAK-OAQYLSRUSA-N 444.583 4.729 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nc(C(C)C)ncc2Br)cc1 1435973894 FBIPMPGVUWMLKU-UHFFFAOYSA-N 432.318 4.624 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(/C=C/c4cccc(OC)c4)cc3)cc2C1=O 1436426530 GGQIDSVNJNJFGW-BQYQJAHWSA-N 439.467 4.867 30 10 IJEE C#C[C@@H](NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)c1ccc(Cl)cc1F 1436654198 YTOAZKSNIXIFKL-MRXNPFEDSA-N 437.689 4.779 30 10 IJEE COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 1437143036 GMYGADFKBWTVNR-GOSISDBHSA-N 428.488 4.741 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 1444133293 GHKOVFWJEHZQMM-UHFFFAOYSA-N 436.552 4.517 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C 1445082425 FUDAHSGTABPZKW-GOSISDBHSA-N 426.866 4.956 30 10 IJEE C=CCOc1ccc(OC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 1456886155 VUWJOBOXJIIQHN-XMSQKQJNSA-N 431.891 4.948 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 1458176514 UQHNNDOLEUFRBI-AUUYWEPGSA-N 430.426 4.514 30 10 IJEE C=CCn1c(SC[C@H](C)NC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CCCC3 1458814255 CSKLJFUIBZUENB-ZDUSSCGKSA-N 435.615 4.528 30 10 IJEE C=CCC[C@@H](NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(C(F)(F)F)cc1 1459825437 MQMKXSITAPFXTL-OAQYLSRUSA-N 438.515 4.943 30 10 IJEE CC(C)[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCN1Cc1ccccc1 1461594531 DMIVQVHZYIVMKD-RUZDIDTESA-N 443.547 4.713 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1462637086 YJCOUGLVKOECAG-RDPSFJRHSA-N 438.612 4.923 30 10 IJEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 1463519970 PEUUITVWLSFUHW-QHCPKHFHSA-N 443.609 4.580 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(Nc3ccccc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1464718817 NSOYTQCWAHMORH-XMMPIXPASA-N 445.991 4.536 30 10 IJEE CCCc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[nH]c(C)c1C(=O)OC 1464771217 DEYMPNUOANYBEH-UHFFFAOYSA-N 431.492 4.765 30 10 IJEE CC(C)c1noc(-c2ccc(NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cc2)n1 1465472657 FOYSZOVNQSYFQO-UHFFFAOYSA-N 444.539 4.518 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@H](C)[C@@H](OC)c3ccc(Br)cc3)cc2n1 1467353180 IWXOZQBJBZLFBW-JLTOFOAXSA-N 443.345 4.883 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1468427052 SIPCRWWERJEDTR-FOIQADDNSA-N 445.332 4.860 30 10 IJEE C=CC1(CC(=O)N2CCC(Cc3ccc(C)c(C)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1468668422 XXLLCRLYWVJOFX-UHFFFAOYSA-N 426.601 4.898 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccc(Br)cc1 1469000474 QNXKJGMINTWSIR-OAHLLOKOSA-N 443.675 4.878 30 10 IJEE C#CCN(C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1469417223 DTPFGJRGCSBMKP-HXUWFJFHSA-N 441.616 4.785 30 10 IJEE C=C(CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1 1470419524 FJMKMKPACCHURY-IZZNHLLZSA-N 429.539 4.806 30 10 IJEE C=CCn1ncc2ccc(NC(=O)Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc21 1472164241 XOMCJVPTLDMQHG-UHFFFAOYSA-N 446.551 4.697 30 10 IJEE C=CCn1c(SCc2c(Br)cccc2[N+](=O)[O-])nc2ccccc2c1=O 1472923446 AFCFRDVEQNYCLL-UHFFFAOYSA-N 432.299 4.546 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1c(OC)cccc1OC(F)(F)F)c1ccccc1 1475627272 IZZANXWQJNAFCP-MRXNPFEDSA-N 429.460 4.970 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)cs1 1503921652 DFQALWQPPKHKBK-HZPDHXFCSA-N 448.552 4.819 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507665233 TWAAWYBVINSXAX-MOPGFXCFSA-N 430.474 4.710 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nc(C)c(C)s1 1507679539 NWRISMZWCHTFEV-IBGZPJMESA-N 437.613 4.810 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1Cc1csc([C@@H](C)OC)n1 1507699700 JOZXWMZWJMYPEF-IAGOWNOFSA-N 441.576 4.783 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1507804181 DYSDULFKHSQKMJ-QRVLJTFESA-N 440.657 4.765 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)(F)F 1507842457 AUBRCMYCVDZEMV-UHFFFAOYSA-N 435.450 4.581 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1507915136 UEEWQRSMSURZKB-UHFFFAOYSA-N 439.604 4.757 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C[C@H]1CCCO1 1507937156 MIYIXOHHGTYVBS-UXHICEINSA-N 447.624 4.712 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](CC)C1 1507959253 NUYSNESTUJJANN-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCOC[C@@H]1C 1507995620 AFQRPGFJEWITCZ-PZJWPPBQSA-N 426.605 4.741 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1CCC(C(F)(F)F)CC1 1508041815 VABKHTMETYGAPS-ABHNRTSZSA-N 430.515 4.527 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1508150950 SREYTWYTXJTSEG-CABCVRRESA-N 440.585 4.796 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCC(CC#N)CC1 1508159007 PMEWFBLJUJEDDE-UHFFFAOYSA-N 446.418 4.757 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1508160839 XQCUYYGAJIYFCE-IAGOWNOFSA-N 435.663 4.964 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@@H]2Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)C#N)cc1 1510832431 CKPOAQZHDCHUEJ-KWOQKUFVSA-N 444.583 4.721 30 10 IJEE C#CCN(C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1CCCCC1 1519837056 RBMIRZXOMAFYMO-DGWZTRNLSA-N 436.640 4.971 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(Cl)cn1)c1ccc2c(c1)OCCO2 1522212539 QRNBLVOUVZDCRT-UHFFFAOYSA-N 436.895 4.918 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)CCCC1(C)C 1524687801 AZYWAFJFSOCMRF-UGKGYDQZSA-N 432.630 4.765 30 10 IJEE C#C[C@H](NC(=O)c1csc(Cc2ccc(F)cc2)n1)c1ccc(Br)cc1 1525053821 GDAKVCWUBLFDPK-KRWDZBQOSA-N 429.314 4.740 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)[C@H](OC)c2ccc(OC)cc2)s1 1527126582 FPCAYXGPBDNCSU-KUHUBIRLSA-N 441.018 4.740 30 10 IJEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)c1 1527163113 DBQJUVUCKFNJSV-JKSUJKDBSA-N 430.595 4.558 30 10 IJEE CC[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc2c(c1)OCCO2 1527788418 AINCVBYEXMHPDL-HSZRJFAPSA-N 428.488 4.790 30 10 IJEE C#CCN(C(=O)COc1ccc(Cl)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1529627206 LIROZFKMTVANHZ-GOSISDBHSA-N 448.744 4.775 30 10 IJEE CCc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nnn1-c1cccc(Cl)c1 1530057128 HSQDMBLILGTMJC-LBPRGKRZSA-N 425.945 4.793 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccccc1 1537027519 ZUSSKYMZCBEMMU-XMMPIXPASA-N 440.609 4.935 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1c(C)nn(C)c1C 1539103114 OBBXLYXHMQPKAK-UHFFFAOYSA-N 431.371 4.652 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1539109274 NCWNOEGXUJYFHO-LADGPHEKSA-N 436.600 4.789 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(C)cc1SC 1539159118 QAWATPUGCGSLOR-UHFFFAOYSA-N 447.427 4.917 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(C)C 1539593913 BYHLCVPZCMVBKD-UHFFFAOYSA-N 430.350 4.991 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1csc(Br)c1 1539694640 FRUXZUXZQRVANV-UHFFFAOYSA-N 428.359 4.853 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539848968 SFGRDMNBZTYFDO-MOPGFXCFSA-N 431.625 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2cccn2)CC1 1539908990 DQZLDGGDVRIWGY-UHFFFAOYSA-N 439.995 4.709 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1539953914 PVTLJFOAGVXLQS-IFMALSPDSA-N 442.629 4.864 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1539982422 VQLBXAIVBFNAJQ-HXUWFJFHSA-N 446.617 4.515 30 10 IJEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(CCC)CCC1 1540069420 OXQGBQIXRRCXET-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=CC1(CC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)CN(C(=O)OC(C)(C)C)C1 1540595205 PFYBPTXWKULIQA-GOSISDBHSA-N 434.964 4.523 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540856684 XXBBQGXNAIXLSX-INIZCTEOSA-N 431.968 4.620 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)N2CCCCC2)C1 1540886378 BUUREHCHGSEZTG-HSZRJFAPSA-N 437.632 4.553 30 10 IJEE C=CC(C)(C)CC(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1542064856 ZFTXEZMANSTOLI-OAHLLOKOSA-N 436.478 4.563 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1544240664 QSLUDDYYEZUKDM-JQIJEIRASA-N 430.426 4.682 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)c1 1544480153 DOFBTMNGHFFKJZ-UHFFFAOYSA-N 435.549 4.591 30 10 IJEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@H](C)C#N 1547679701 ADOWSIBIQMYBTP-STZQEDGTSA-N 438.620 4.505 30 10 IJEE C=CCn1c(SC[C@H](C)COCc2ccccc2)nnc1[C@@H]1COc2ccccc2O1 1559333226 KGNBQEVKYRAMAJ-GCJKJVERSA-N 437.565 4.922 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC 1561029986 BPHBCGSLEDWKOK-FUHWJXTLSA-N 438.996 4.896 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@@H]1CCCCC1(F)F 1561208244 DURVDWKWIDNIBG-AWEZNQCLSA-N 440.325 4.732 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)cc(OC)c1OC 1563814351 BUVLFFDGYJIKRS-XMMPIXPASA-N 438.568 4.526 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)c(OC)c1 1566313477 ISJAPDACWLRKAQ-IBGZPJMESA-N 445.991 4.981 30 10 IJEE C=CCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 1568585423 OKGYUDFNNQTHIW-RUZDIDTESA-N 425.532 4.745 30 10 IJEE C#C[C@](C)(CC)NC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1569253509 HZPADYNQZIQDDI-RCDICMHDSA-N 425.579 4.604 30 10 IJEE C#CCN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C1CCN(C)CC1 1585115464 RLOINFMIAOYNEB-UHFFFAOYSA-N 435.518 4.602 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C 1587564762 ZADODGUNVGUYLS-UEXGIBASSA-N 425.529 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1cc(C)oc1C 1587592858 GARLYQYUAXTVHZ-MCMMXHMISA-N 447.366 4.827 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC12CCC(CC1)C2 1588180473 GRJDZQJQMOOJMM-QOVRIPIQSA-N 446.595 4.860 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)C1CCCCC1 1589177812 NJNZNKOOKVUHBQ-XMMPIXPASA-N 441.023 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1cc(C)ccc1OC(F)F 1589234588 VHQJEJBTAWSDTD-XMMPIXPASA-N 428.527 4.961 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1cccs1)C(C)C 1589559358 QKJCHLWBEOJWND-AUSIDOKSSA-N 437.613 4.722 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC2(CCC2)C1 1589731248 FVQSJABBWQRLRH-UHFFFAOYSA-N 437.769 4.696 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nc(C)c(C)s2)CC1 1594014779 VTLXETZFYDJDNO-MRXNPFEDSA-N 427.549 4.835 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1594134427 QKCOVYSLYXLKND-KRWDZBQOSA-N 432.037 4.863 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC=CO1)C1CC1 1595038193 RZLBYZGWGQKDQE-INIZCTEOSA-N 433.325 4.694 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(SC)CCOCC1)C1CC1 1595065794 YCKWCBCOSIGBBD-UHFFFAOYSA-N 442.629 4.541 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](C)C1)C(C)C 1595166724 WWIMTWFKCKIQNJ-TXTKFYIRSA-N 425.596 4.875 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CCC(=O)NC1CCCCC1 1595195952 GIONOVBXAROLTI-UHFFFAOYSA-N 444.583 4.511 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 1622255144 MDTYBAFKKOHLBN-UHFFFAOYSA-N 436.398 4.739 30 10 IJEE O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCc2cccc(C(F)(F)F)c2C1 1622429504 GQEIVZMBXHSULE-UHFFFAOYSA-N 427.341 4.610 30 10 IJEE C=CCCC(C)(C)NC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1635092686 ZGLNCXDQEVAFRP-KRWDZBQOSA-N 436.394 4.605 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C 1635186614 DDVDSJHNWAUJMR-UHFFFAOYSA-N 433.430 4.503 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cc1 1641490403 BXMQZZSJNFNUFQ-UHFFFAOYSA-N 434.521 4.533 30 10 IJEE COC[C@H](NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1645045968 BEYJLIYXUCVIIV-INIZCTEOSA-N 438.343 4.779 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)c(OC)c1 1645110631 FTEBZNLUDVQYSE-LJQANCHMSA-N 428.960 4.807 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1653340882 MPQTYYWCYIGRTO-NRFANRHFSA-N 426.582 4.884 30 10 IJEE CC1(CNc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)CC1 1655317070 VXADBRJKLMAWOS-UHFFFAOYSA-N 426.330 4.909 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCc1csc(N(C(C)=O)c2ccc(Cl)c(Cl)c2)n1 1658716892 ZIWXDVRXTVEOEH-MSOLQXFVSA-N 426.369 4.958 30 10 IJEE C=CCN(C(=O)N1CCC(Cc2ccccc2)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1661408263 RXEDRNQCYGMMPO-RUZDIDTESA-N 434.580 4.724 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cccc(Br)c1I 1662990775 RYHLLBVBJTWKFM-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE C=CCC1(NC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1669713099 UHWWCTQNEMCYIZ-JOCHJYFZSA-N 426.582 4.758 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC 1670521579 XWIDZRQBRGOTID-UHFFFAOYSA-N 433.961 4.547 30 10 IJEE N#Cc1cc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)ccc1OC(F)(F)F 1670745369 FAPWEZXPODAUQN-HNNXBMFYSA-N 438.837 4.901 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1)c1ccccc1 1672547527 CBKCPOWRDVSGGC-NHCUHLMSSA-N 440.385 4.708 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccccc1 1672895009 UTYIKSGPGQPSNU-WFXMLNOXSA-N 449.551 4.603 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)cc2n1 1673220723 PSHNGRQHKIOQLJ-PDFPEKILSA-N 439.560 4.522 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@H]1CCCc2ccccc21 1678140589 OWHDKDOZXKVOAD-UNMCSNQZSA-N 437.971 4.650 30 10 IJEE C#CCOc1ccccc1CNC(=O)NC(Cc1ccccc1F)Cc1ccccc1F 1679245205 XZPIBYJUSHJFEY-UHFFFAOYSA-N 434.486 4.630 30 10 IJEE C=C(C)[C@@H](NC(=O)N(C)C[C@@H](O)c1ccccc1Br)c1ccc(F)c(F)c1 1680280277 LUGWYLHUMNJYKN-RTBURBONSA-N 439.300 4.720 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 1686917653 QYHUOOAILZFWAF-RBUKOAKNSA-N 434.298 4.620 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OCC)cc1 1689837916 PJNIWIGKAKIRPE-CQSZACIVSA-N 445.386 4.674 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(Cc1c(F)cccc1F)C1CC1 1689897675 DXCFBDDXULIBOG-UHFFFAOYSA-N 441.551 4.885 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C1CCC1 1690240393 FOLNCESNTPEZAG-LIRRHRJNSA-N 449.368 4.817 30 10 IJEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccc(Cl)s1 1690503665 KFGQRXSICFOZGP-UHFFFAOYSA-N 446.960 4.618 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1690507862 YZPAGLFYSPHDRI-UHFFFAOYSA-N 446.542 4.854 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690509862 LPPRNCRXRGYZQR-NRFANRHFSA-N 447.023 4.899 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCCN(C3CCCC3)CC2)cc1 1690679544 YKVWXGYAVAESBX-NRFANRHFSA-N 437.632 4.859 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2CCC(OC)CC2)C1 1690707462 XABUQTCQXGJNGV-KITAHSCOSA-N 445.007 4.509 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1690738164 HZGCBAUCABLYMY-HNNXBMFYSA-N 427.524 4.661 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCC(c2nccs2)CC1 1690749843 RCDZXIKYRJYTQQ-UHFFFAOYSA-N 439.654 4.823 30 10 IJEE CC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1693610171 AISPWZQUMZGGOF-VZYOYLOZSA-N 434.632 4.952 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)N2CCC(C)CC2)cc1 1694506073 APZGTRDWMNVFCP-RLWLMLJZSA-N 434.632 4.758 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nc(C2CC2)cs1 1705477624 QLVAZVVBJSAZOA-WMZOPIPTSA-N 435.597 4.875 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1cccnc1OC1CCCC1 1705500415 MPXVAKVXCNQWAV-OAQYLSRUSA-N 443.595 4.676 30 10 IJEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1705527103 VZEBXIBXTHTJPV-SFHVURJKSA-N 440.588 4.789 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1705528162 WMLQOTKOBXTOER-IBGZPJMESA-N 440.954 4.806 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCC1(F)F 1705621169 URCOAJCCADERKR-UYAOXDASSA-N 432.490 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705702514 NBZYKOQOVMGUIE-KSPVPNAGSA-N 429.008 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1705720029 UZVZHOHONRDGMD-REWPJTCUSA-N 439.648 4.997 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1705757709 VNTLBXAQOOXQJM-IAGOWNOFSA-N 439.387 4.618 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705792469 UIVNJRKNEYZCFX-RJGXRXQPSA-N 443.680 4.865 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1oc(CC)nc1C 1705866378 OOPUZXQNIYJPHK-GOSISDBHSA-N 427.574 4.681 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1711275258 DHJABGCFTJOAMA-OAQYLSRUSA-N 441.023 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCN(C)C(C)C 1722475494 DRFBSLVVENGXJZ-AREMUKBSSA-N 437.632 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1722505703 CEKJBTIEEWBIIF-ZJOUEHCJSA-N 443.661 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCO[C@@H]1CCCC[C@H]1C 1722518331 ZSBBCTYSQSSKAL-VIZSFHNOSA-N 440.588 4.788 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1722587031 WTDNHHDVIBCEBI-UHFFFAOYSA-N 430.556 4.795 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1722620231 DGDLTGRAUVBGJW-JOCHJYFZSA-N 434.588 4.787 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](C)C1 1722660873 JXMAOYMTOCNSOB-ZWKOTPCHSA-N 436.585 4.616 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC=C(C(C)(C)C)CC1)C(C)C 1722667179 VDZHSPGIOSLECE-QHCPKHFHSA-N 449.647 4.616 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)CCC(C)C)C1 1722716995 BHGQMVOPIBZYPO-OFNKIYASSA-N 432.996 4.567 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CC=CCC1 1740590312 KXODYADJECYOJJ-NHCUHLMSSA-N 441.620 4.599 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1740741222 HGRMJMHPXGVHIN-WMZOPIPTSA-N 426.362 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1740851911 FNDAAIOUYKZMFS-NRFANRHFSA-N 444.542 4.701 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740859682 PMGQYERQIUJKQN-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCOCC1 1740869714 WQMCNVPFRXZKGF-UHFFFAOYSA-N 425.758 4.554 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC[C@@H]1OC 1740894530 XHIPRAALAKRDSK-DYVFJYSZSA-N 439.785 4.798 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1ncc(CC)s1 1740919827 SXQLLEMCWJJWNL-UHFFFAOYSA-N 436.560 4.683 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CCc1nccs1 1740922943 XJHQVSMJTFPXQV-UHFFFAOYSA-N 437.594 4.907 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CC[C@@H]1CCOC1 1740924457 SATUGYMDQNEIAP-GOSISDBHSA-N 426.561 4.689 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC1(OC)CCC1 1743669127 HRLHTZQLSXHCTP-LJQANCHMSA-N 437.588 4.670 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H](C)c1nccs1 1748639391 GGBXYSAWQBKNKQ-SQNIBIBYSA-N 439.585 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(OC)cc1 1748651646 PJHOMDBPISSVCJ-QZTJIDSGSA-N 434.609 4.841 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccnc(OC2CCCC2)c1 1748674060 OFVFRARLXMGXIS-SFHVURJKSA-N 449.986 4.745 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](c2cccnc2)C(C)C)c1 1748921781 CKPQOUMMTQTJOQ-ZEQKJWHPSA-N 444.583 4.919 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCn2ccnc21 1749146743 LWDZZNYSNAJEDD-MRXNPFEDSA-N 428.943 4.914 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2cccn2)CC1 1749368249 GANRMHDIIOBPFS-UHFFFAOYSA-N 436.579 4.723 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1749419967 VNWRGMAOWHGZFA-UHFFFAOYSA-N 435.547 4.996 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)S[C@H](C)C1 1749439970 OMMPLKSUAXKPFY-KSZLIROESA-N 435.638 4.647 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccsc1 1749528730 ZOZHXTKKUGFDPK-XMMPIXPASA-N 440.613 4.746 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1Cc1ccc(C)s1 1749530993 BHQIPCMHUKHSJC-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1C[C@@H](C)OC(C)(C)C1)C(C)C 1749557954 PIUGXNKGPROOTE-IFMALSPDSA-N 429.653 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1csc(CC)n1 1749563292 BCEYVZHRANXSJB-UHFFFAOYSA-N 429.977 4.853 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC[C@@H](C)C1 1760107639 VZGKHPDTLCOOAC-RTBURBONSA-N 444.023 4.577 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1760118887 PANCLAIQDHOMGV-QXAKKESOSA-N 434.506 4.823 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CCSC2)C1 1760130482 KHHDLZUEKVZSRQ-JOCHJYFZSA-N 432.540 4.683 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760134004 XDDHTETZTNCWAU-CTNGQTDRSA-N 440.588 4.548 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760139972 VLQAMRHOJYIKLS-GOSISDBHSA-N 440.642 4.586 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CCC1CC1 1760302479 FNXUHQFSXPOJGB-UHFFFAOYSA-N 449.393 4.886 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC)(CC)C1 1760324486 KERQQHZRBPOPHD-NQIIRXRSSA-N 429.634 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1760335161 LSSVFBHVDIXACS-UGKGYDQZSA-N 442.629 4.894 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCCC(C)(C)C1 1760340693 KNILLFUILSMTOW-UHFFFAOYSA-N 429.584 4.521 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cnc(C)s1 1760354126 OZNIPQYPYUTKFK-UHFFFAOYSA-N 435.956 4.732 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)cc2OCCOCC)CC1 1760389300 HUQQMMPPYHSZIJ-UHFFFAOYSA-N 426.605 4.795 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCOCC(F)F)CC1 1760399302 IGXQXUWWZIKIMB-UHFFFAOYSA-N 427.499 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760409633 BHIYEKMALKHLEB-NRFANRHFSA-N 445.615 4.751 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)c1ccccc1 1760418597 VKQZOIBCVYFFDS-HSZRJFAPSA-N 435.616 4.612 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1CCCc1nc2c(s1)CCCC2 1760465274 AOMIDJWMXFFRQZ-UHFFFAOYSA-N 425.577 4.598 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1cnc(C)s1 1760491091 SMJRKDRPCAPKPQ-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CC(=C)Br 1760492496 VKFPYFTVLYAFRQ-UHFFFAOYSA-N 438.167 4.795 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1csc([C@@H](C)OC)n1 1760494802 VMAWHDJSPHYPPL-MRXNPFEDSA-N 434.569 4.817 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCC2(C)C)C1 1760547765 RBLCAWPEFZTGFE-RTBURBONSA-N 428.552 4.604 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(Cc2ccccc2)CC1 1761023792 HSSORMIEWVDOAF-SANMLTNESA-N 434.632 4.519 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 1763921640 HXLVKRHFIPIYMF-UHFFFAOYSA-N 436.585 4.710 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3[nH]2)cc1 1860914516 PXKWXHHUGRZIPT-RUZDIDTESA-N 447.498 4.501 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccccc1C(F)(F)F 1861043499 GRZWZLGMULWYDP-FXAWDEMLSA-N 442.522 4.538 30 10 IJEE C=CCNC(=O)[C@](C)(CC)NC(=O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1 1861423124 ARUXQGZSUIZMNG-SANMLTNESA-N 426.520 4.584 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862445998 IQMLZOJDPICUEC-IBGZPJMESA-N 434.319 4.734 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)ccc1O 1862495071 KOHOBWVYYLFQMS-QHCPKHFHSA-N 435.520 4.929 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F 1862510543 BBZXWGJUOVMLEX-SFHVURJKSA-N 432.835 4.682 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(Br)c1 1862526039 BRWKCGJDLMVVLX-LJQANCHMSA-N 437.293 4.671 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccccc2Br)cc1 1862540242 JEVSFSZFJLUASJ-IBGZPJMESA-N 426.310 4.752 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862598162 ZNBSPGLPKSHUGZ-JOCHJYFZSA-N 433.460 4.553 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)cc1 1862599671 FJZYUWIZTUIUER-HSZRJFAPSA-N 446.503 4.610 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 1862604864 JQGDMWDAPSFITM-DEOSSOPVSA-N 445.515 4.927 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)cc1 1862747095 MUNXHEYLXZACGH-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE C=CCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1863720303 OWRYBCLPSJBEEC-UHFFFAOYSA-N 440.330 4.573 30 10 IJEE CCCCOCCCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccc(OC)c1)C3=O 1871350364 BWNSGVOXSUIRSI-HAHDFKILSA-N 437.536 4.979 30 10 IJEE CCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871453273 OQYAGKDIGUNBHF-BKUYFWCQSA-N 449.484 4.559 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1Cl 1871456579 MGKWHRCUEDNJIU-NHDPSOOVSA-N 434.879 4.986 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872055353 WFJBRHQCGWZTDN-QHCPKHFHSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872248267 CLECJBABVIHIHJ-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872313938 ODJPRMFZFLVCFB-HSZRJFAPSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872409817 WBALNFUSOHGNPU-QFIPXVFZSA-N 428.598 4.842 30 10 IJEE CC(C)(C)N1C[C@@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872768964 GJAJZYHICGYJLO-QWHCGFSZSA-N 436.364 4.940 30 10 IJEE COc1ccc(Cl)cc1-c1csc([C@@H](C#N)C(=O)c2cccc(OC(C)=O)c2)n1 1872788950 VEMGQIZGXHQECW-KRWDZBQOSA-N 426.881 4.887 30 10 IJEE C=CCN1C(=O)C(Nc2ccccc2OCC(C)C)=C(c2ccc(OC(C)C)cc2)C1=O 1873378395 NPWRSHLMJOPNOW-UHFFFAOYSA-N 434.536 4.887 30 10 IJEE CC[C@@H](C)N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425154 WDHLLJRDPNVCKD-QGZVFWFLSA-N 438.531 4.956 30 10 IJEE CCCCCOc1ccc(/C=N/Nc2cnn(C(C)(C)C)c(=O)c2Br)cc1 1873527102 LSSJDKVJXWTMGJ-LPYMAVHISA-N 435.366 4.776 30 10 IJEE Cc1sc(C2=C(N)N(c3ccc(N4CCCC4)cc3)CC2=O)nc1-c1ccc(F)cc1 1873529950 SJVFHZUNYIXNMP-UHFFFAOYSA-N 434.540 4.574 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C#N)cc4)ccc3C2=O)c2ccccc21 1873867299 MNZYCWGADINLJT-ROTLSHHCSA-N 449.466 4.684 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1OC 1874482391 CFYVETKLELEVGX-ZMOGYAJESA-N 428.533 4.906 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1C1CCC1 1874493519 RBDPLIDLBZJGRZ-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CCC2)cc1 1874497723 XDPQUDKLWPCGHT-ZVHZXABRSA-N 443.617 4.565 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])o1 1874625319 XKRMUWTYWTWJHK-XNWCZRBMSA-N 425.368 4.589 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cnccn1 1875121716 DTGUMMSZPUAQMA-CMDGGOBGSA-N 434.879 4.982 30 10 IJEE COCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1875163169 YPLANQSTKGTSMN-CMDGGOBGSA-N 442.508 4.592 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)c(OC)c1OC 1875194492 TYEYYQDLTTXYDD-MKMNVTDBSA-N 436.435 4.967 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)O1 1909855373 XRWQHESHBJHQBV-FSSWDIPSSA-N 432.605 4.588 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912150328 RPDRTKWXXZGFNA-FGZHOGPDSA-N 448.568 4.997 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC1CC1 1984695828 RSWFMKINEKZEFU-VWLOTQADSA-N 445.563 4.702 30 10 IJEE CN(CCN(CCC(=O)Nc1sccc1C#N)Cc1ccccc1)Cc1ccccc1 2019334523 KDHMQEKRMGZMQJ-UHFFFAOYSA-N 432.593 4.583 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c(Cl)c1F 2028857577 DQCINXTUGUWVDB-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE Cc1nn([C@@H](c2ccc(C3CCC3)cc2)C2CC2)c(I)c1C=NO 2079905012 UUIXWJOOGFGRDS-SFHVURJKSA-N 435.309 4.871 30 10 IJEE CCOP(=O)(OCC)c1cn(Cc2ccc(C(F)(F)F)cc2F)nc1C(F)(F)F 2080380162 QHFDFGZAXVMCIR-UHFFFAOYSA-N 448.275 5.000 30 10 IJEE COc1ccc(-c2c(C3CCCCC3)nn3c(N)c(C#N)cnc23)c(Br)c1 2081234034 YREABLHEFWPZCQ-UHFFFAOYSA-N 426.318 4.669 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NCC 2102882845 RTFSXXSVACPIBO-IRXDYDNUSA-N 443.813 4.930 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Nc1cc(Br)c(C#N)cc1F 2107377156 BQLHYWPVWLPSBA-PXAZEXFGSA-N 426.330 4.907 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Br)c(F)c2F)C1 2126685231 NXJLDSMPJUJLGO-MRXNPFEDSA-N 431.321 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ncc(Br)cc3C#N)CCC[C@@H]12 2165306860 RKNIBVXGVYUQEF-OXQOHEQNSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(C1)CN(c1cc(Br)cc(C#N)c1)C3 2174814155 FCEXEUNXYLMPNW-SFTDATJTSA-N 432.362 4.548 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccc(C#N)cc2Br)CC1(C)C 2181098495 NTJYEIVCUIGTNM-CQSZACIVSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2cc(Br)ccc2C#N)CC1 2181135016 NGKZKBPRZVINPN-UHFFFAOYSA-N 436.350 4.687 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181141152 IQNCPIGOOZLSIX-HZPDHXFCSA-N 436.350 4.733 30 10 IJEE CC1(C)OB([C@]23C[C@@H]2CCN(C(=O)c2cc(Br)ccc2Cl)C3)OC1(C)C 2194121742 XATSVVOXSQWPKU-BUXKBTBVSA-N 440.574 4.801 30 10 IJEE Brc1sc(C#CC[C@H]2CCCNC2)c(Br)c1Br 2216495103 KDCROMWSNCLRKI-QMMMGPOBSA-N 442.014 4.777 30 10 IJEE CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)C#Cc1ccccc1Br 2227468432 ADZXAYCADCQMGK-UHFFFAOYSA-N 434.252 4.559 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2235721851 JJFMOXSWRCTSMM-NLWGTHIKSA-N 435.406 4.720 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 2235727546 PQCMIOCEZPGKPA-RBUKOAKNSA-N 449.414 4.586 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc(C(=O)C#Cc2ccccc2Br)c1 2235730902 PRFGTFHXQQGAPW-UHFFFAOYSA-N 428.326 4.751 30 10 IJEE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255524040 NXQUWDNXQNASIO-GOSISDBHSA-N 425.353 4.812 30 10 IJEE C=C(CNC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C)B1OC(C)(C)C(C)(C)O1 2256287975 REHRBBDCQRNDOL-UHFFFAOYSA-N 430.354 4.568 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2262207814 UYFRJQHMZLRFRO-GQEURGSBSA-N 445.556 4.551 30 10 IJEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)c1ccccc1 2267219820 HFMVWUFIULFHAO-UHFFFAOYSA-N 430.357 4.654 30 10 IJEE COc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2267513691 XGSVNMVBVXLECZ-LJQANCHMSA-N 437.389 4.681 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)cc(C#N)c2)[C@@H](C(F)(F)F)C1 2281178934 OQFGCFDARILXOX-UKRRQHHQSA-N 448.283 4.745 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(Br)c(OC)c1 2292213340 SGBDRGUNAWWAFK-NRFANRHFSA-N 435.314 4.763 30 10 IJEE Cc1cc(Br)c(O)c(C=NCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 2294002176 UPSLXFRERMUDCZ-UHFFFAOYSA-N 446.223 4.921 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)C#Cc1cccc(Br)c1)C2 2296219336 MXKWAGHWBZHJAS-OALUTQOASA-N 432.358 4.938 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(C[C@@H](N)C#Cc1cccc(Br)c1)C(F)(F)F 2296221135 GAHGALICJBDNSW-MAUKXSAKSA-N 449.311 4.611 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2296267341 RXXPIHGHJXBXRE-VAMGGRTRSA-N 435.406 4.862 30 10 IJEE CCC1CCC(NC(=O)OC(C)(C)C)([C@@H](N)C#Cc2cccc(Br)c2)CC1 2296272079 HUWPDPFZMSTRMM-UEUGHCDMSA-N 435.406 4.992 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 2296308160 DSEPVRGPCRNZSU-AZUAARDMSA-N 437.422 4.966 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccs3)ccc2O1 2297742589 OHEPDELVJWIOSI-IVZQSRNASA-N 431.513 4.693 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccs3)ccc2O1 2297742590 OHEPDELVJWIOSI-NYHFZMIOSA-N 431.513 4.693 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(O)cc1O 2321386615 WCMKSJFAXHCPNN-UHFFFAOYSA-N 446.960 4.575 30 10 IJEE CCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@H]1CC12CCC2 2321746990 KSMJLNQXDLQYRT-XTEPFMGCSA-N 430.640 4.683 30 10 IJEE O=c1c(Br)c(NN=Cc2ccccc2Cl)cnn1-c1ccc(Cl)cc1 2322659393 CFIVKCUGWDLUHG-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccc(N(C)C)cc1)C2=O 2323149392 RPAVMWGHLPTDBQ-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)ccc1O 2325481649 UIELODQQKZYYCC-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2ccc(Cl)cc2)cc1OC 2326350113 CNWPSRQMJHMDBF-UHFFFAOYSA-N 446.960 4.830 30 10 IJEE Cc1ccc(CCCC(=O)N[C@@H]2CCN[C@H](C(=O)C=Cc3cccc(OC(C)C)c3)C2)cc1 2328263727 FWLGOHDLFGNHEX-RSXGOPAZSA-N 448.607 4.624 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1ccco1 2328692679 LFZWZYLKQJBBOO-UHFFFAOYSA-N 432.549 4.882 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3F)n2N=Cc2ccco2)c1 2329713188 PBUGKMIVWJBWLM-UHFFFAOYSA-N 449.511 4.522 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1N=Cc1cccc(OC)c1OCCC 2329920363 XABDCLHJVJZBGO-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1cnc(C)cn1 2330982103 LWHGBOIHISQADW-UHFFFAOYSA-N 444.487 4.646 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 2331017960 ZEHBXEGLGYHVPN-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1O 2331225453 YBXIQNVNZAULHK-UHFFFAOYSA-N 426.885 4.777 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc(F)c(F)c2)cc1OC 2331565528 NKYQIWCXFCPJTO-UHFFFAOYSA-N 425.225 4.947 30 10 IJEE CCCC1(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339538512 VAGQMSAIIWJPRS-WYMLVPIESA-N 443.397 4.928 30 10 IJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(Br)cc1I 2339577685 VWAUMAPWHMIBOC-IAQYHMDHSA-N 432.143 4.754 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 2358672570 ZWCSVFMAQUTOAG-VDGAXYAQSA-N 435.406 4.957 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)n1 2362163393 FBESFWRUOAMURP-KELGSRBJSA-N 448.416 4.509 30 10 IJEE CC[C@H](N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839383 TXVVXXTVTBLXOG-NYMACZPPSA-N 448.460 4.937 30 10 IJEE Cc1cc(Br)c(F)c(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c1 2368429355 BSGVQAUEAOTSPV-IBGZPJMESA-N 426.135 4.595 30 10 IJEE COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3sccc3C#N)[C@H]2c2ccccc2)cc1 9223346 UOVZOKVQSFMPPM-IFMALSPDSA-N 431.517 4.751 30 10 IJEE C=CCn1c(=O)c2c(ncn2Cc2ccc(C(C)(C)C)cc2)n(-c2ccc(Cl)cc2)c1=O 34693750 FOAZQCSSDCRZDV-UHFFFAOYSA-N 448.954 4.534 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)cc1 59019375 RTIMWKDDKSEPGZ-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE COc1cc(/C=C/C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)ccc1OCC#N 59784817 UESMORSTIQOUSN-WUXMJOGZSA-N 433.895 4.893 30 10 IJEE O=C1COc2ccc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccs3)cc2N1 97998046 CNCXVMKFHSKZSI-NTMALXAHSA-N 427.485 4.828 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N(C)C)cc1 100154283 BXDNCYAALKCQCW-UHFFFAOYSA-N 441.597 4.864 30 10 IJEE Cc1ccccc1/N=C1/SCc2ccccc2N1C(=O)c1ccc(S(C)(=O)=O)cc1 105067884 AKCSRFAORRZEQF-WCWDXBQESA-N 436.558 4.980 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccc(F)cc2)cc1 170065711 IPNDYUWSWHMDPZ-OAQYLSRUSA-N 427.435 4.793 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccco2)cc1 170094571 HISJBLKNRFGHEV-QFIPXVFZSA-N 430.460 4.638 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170114020 RGTUSUZDGPRKRM-YKSBVNFPSA-N 443.499 4.606 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(O)cc2)c(C)c1 170131179 GHTFRXCIEWOFRP-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccncc1)c1ccc(Br)cc1 170203367 GNMLAHQYAHRBMS-IBGZPJMESA-N 435.277 4.627 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC)cc1 170215828 JOYZVLDMNYSHSE-HJPURHCSSA-N 435.520 4.787 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3ccccc3F)ccc2O1 170249226 RKEIOEYULSDBNI-NPMXOYFQSA-N 429.447 4.932 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCN(C)C)cc1 170267508 LCVSBXFFICAAHB-DEOSSOPVSA-N 448.607 4.995 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 170364141 JNNKQNUNUQAOBO-QHCPKHFHSA-N 443.455 4.597 30 10 IJEE C=CCCc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 410347201 YXNXEJXRBFEIDQ-UHFFFAOYSA-N 445.548 4.831 30 10 IJEE N#CC1CCC(CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)CC1 441148725 OPNKJXULMZVSRH-UHFFFAOYSA-N 427.614 4.535 30 10 IJEE Cn1cccc1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 442176729 QTYTWKBRKBFRKS-NRFANRHFSA-N 446.482 4.520 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCN3c3ncnc4ccccc34)c2)c1 442408541 IPDCHEGRTITBTP-VWLOTQADSA-N 449.514 4.688 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC1 461607767 ITOWEBIYAFPGFJ-KRWDZBQOSA-N 446.393 4.510 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 508893401 HINSZNBFQXINOB-HSZRJFAPSA-N 429.499 4.705 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)c(O)c2)c1 526489047 OTCFTMHLFDDUJZ-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE C=C(CC(=O)c1ccccc1Cl)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585826641 UGDWMNGGRBGKNY-UHFFFAOYSA-N 439.987 4.913 30 10 IJEE O=C(N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C1)c1cc(Cl)cc(Cl)c1 585853285 RWTQPWAAFQKLCL-WAPNLOFKSA-N 437.754 4.780 30 10 IJEE C=CCNC(=S)/C(=C(/O)c1ccc(OCc2ccccc2)cc1)[n+]1cc(O)ccc1C 730436253 LOISFSPCRGGXTB-UHFFFAOYSA-O 433.553 4.554 30 10 IJEE O=C1COc2ccc(C(=O)/C=C\c3csc(-c4cccc(Br)c4)n3)cc2N1 730587770 CHLSAQKTHJETNO-WAYWQWQTSA-N 441.306 4.800 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)ccc1OC 733655714 AECOJKTXLGIWHP-FQEVSTJZSA-N 446.551 4.947 30 10 IJEE C=CCn1c(SCc2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1ccccc1OC 1087049803 HKSGKMMQWCDCMD-UHFFFAOYSA-N 437.500 4.930 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F 1124607141 IFHBRCGAMICZQZ-UHFFFAOYSA-N 443.471 4.553 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cc(Cl)ccc3N3CCCCC3)C2)c(F)c1 1124789321 FXFBTWLYLYJWOH-QGZVFWFLSA-N 426.923 4.806 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1OC 1125953302 LJMGFAQDMMNXMK-WQLSENKSSA-N 428.488 4.909 30 10 IJEE COc1cccc([C@@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c2cc(F)ccc2OC)c1 1126899163 AEFVDSKGGRBPHL-SSOJOUAXSA-N 432.495 4.799 30 10 IJEE CC(C)c1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cs2)cc1 1126947779 CBFSOYVYMYXWMB-SFHVURJKSA-N 440.569 4.519 30 10 IJEE C#C[C@@H](C)N(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 1128472251 CDPRBKJNMUAPPP-CQSZACIVSA-N 445.375 4.813 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCCN1CCCC[C@H]1C)c1ccc(Cl)cc1F 1129615980 KWSYUFLEWIGJSJ-VGSWGCGISA-N 428.935 4.837 30 10 IJEE C#C[C@@H](CC)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1129728422 LGBOVVFICNWGGH-KRWDZBQOSA-N 431.483 4.724 30 10 IJEE C=CCNc1ncc(C(=O)N2CCN(CCCc3ccccc3)C[C@@H]2CC(C)C)s1 1159208212 PLHYRFMZOVOTKA-NRFANRHFSA-N 426.630 4.546 30 10 IJEE C=CCn1c(SCc2cnn(C)n2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1164489224 FZTAHHTZOQFONR-OAHLLOKOSA-N 428.631 4.764 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3O)cc21 1179494792 RYKYVEWKLXJRHG-UHFFFAOYSA-N 448.429 4.711 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)Nc1cc(CC#N)ccn1)c1ccc2ccccc2c1 1208111562 IBRWRFAGJDYDAD-NRFANRHFSA-N 445.523 4.688 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC1(c2ccc(Br)cc2)CCC1 1215508616 OKXQLBBCSQKEFJ-UHFFFAOYSA-N 431.305 4.844 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 1230525245 QYBMTGYXVCUJLY-UHFFFAOYSA-N 431.577 4.743 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@](C)(O)c1ccccc1Br)c1ccc(F)c(F)c1 1234555670 MPJZATCIGHALTB-UYAOXDASSA-N 439.300 4.551 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)CC1 1235100442 HFCFOQNNLKEJPZ-OAHLLOKOSA-N 435.284 4.555 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1 1248612137 RTYPVACMIFZQLI-UHFFFAOYSA-N 444.373 4.800 30 10 IJEE C=C(C)[C@H](NC(=O)c1cc(Br)c(OC)c(OC)c1)c1ccc(F)c(F)c1 1269606473 ZHRFKUXJBFQGSE-KRWDZBQOSA-N 426.257 4.792 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H](C1CC1)N(C)C 1286281589 KDEBQVJLGIWURW-OXJNMPFZSA-N 437.588 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(F)F)C1 1286566667 SMTFPRNYPUFFPQ-VWPQPMDRSA-N 430.543 4.526 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1286659509 RZTQOGZMJOVJEH-QFIPXVFZSA-N 425.596 4.531 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCC2(C1)OCCO2 1286681022 IAQGJLBRLUJHOG-LJQANCHMSA-N 428.552 4.810 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCN(C(C)C)C(C)C 1286719074 IIMUINYMUWEXHQ-UHFFFAOYSA-N 434.426 4.757 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(Cl)s2)C1 1286807430 OEQUOBPIRIJFBY-INIZCTEOSA-N 432.952 4.553 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CC=CCC1 1286822756 GZYLNNQREHJPAL-FQEVSTJZSA-N 439.629 4.859 30 10 IJEE Cc1cc(C)c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c(C)c1Br 1287524586 BVKUAESYTIRXFI-UHFFFAOYSA-N 426.358 4.645 30 10 IJEE N#CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1 1290096796 BRTFNWFZFJJDGR-LJQANCHMSA-N 439.924 4.777 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CCCC1 1290159220 NRDIJYTWBGRDKW-UHFFFAOYSA-N 428.554 4.879 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(C)C1CC1 1300310472 XTPUMLGMWIYADO-SFHVURJKSA-N 443.636 4.677 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1300317279 OALMKGJZSRXQKH-SFHVURJKSA-N 441.501 4.568 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1CCS[C@H](C)[C@@H]1C 1300373371 XHRZMOAEDMDFJU-ZWKOTPCHSA-N 430.643 4.713 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1ncc(C)s1 1300441782 ZRTHJCTZZSCMNU-GJZGRUSLSA-N 425.627 4.769 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CC1(COC)CCCCC1 1300562932 AEAJNBBVEGAFNA-UHFFFAOYSA-N 430.552 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCCC[C@@H]1C 1300609121 JZXPAUQCQRIIBU-IBGZPJMESA-N 444.023 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)C[C@@H]1CC=CCC1 1300891236 XWYNWDPGNHVSGT-KJWPAHLWSA-N 436.600 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC[C@@](C)(CC)O1 1300915342 NNTOQFIKJOSDSD-UTSGNWPNSA-N 426.561 4.541 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cscc1C(F)(F)F 1300921817 XQDODWNDUOXDEV-UHFFFAOYSA-N 438.523 4.671 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[C@@H]2CCOC2)CC1 1301113823 HJRDNMMPSOMRKE-HXUWFJFHSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1301147113 AXBALGLLRSASOH-OALUTQOASA-N 447.624 4.616 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301148030 KHWDUUSFTMCHRF-IBGZPJMESA-N 447.624 4.616 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1301231618 LKIRUBBHCDIWOB-NRFANRHFSA-N 449.603 4.688 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1301258866 CQZKSKFUGFHDKE-DENIHFKCSA-N 428.552 4.748 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1coc(-c2cccs2)n1 1301299550 NDEMLNNPHHBXFH-UHFFFAOYSA-N 425.945 4.909 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1Cc1c(C)sc(C)c1Br)C1CC1 1301324481 WRZRGNYVKSSZDU-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CCc1ccc(F)cc1Cl 1301411061 RZNFYJJGXBSYPD-SFHVURJKSA-N 444.938 4.645 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[C@@H]2CC)C1 1301568913 ZBLHPLYJBYFXQG-VNXMGFANSA-N 430.637 4.804 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC(Cc3ccc(Br)cc3)C2)cc1OC 1304308206 AGHWXFJTRNAOOQ-XFFZJAGNSA-N 442.353 4.737 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1C(F)(F)F 1309120696 HSYWAUVBQWRKCG-IBGZPJMESA-N 426.435 4.926 30 10 IJEE CCN(CC)C(=O)COc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1Cl 1310055819 GWLUGKNPCDOMPX-INIZCTEOSA-N 442.947 4.684 30 10 IJEE N#Cc1nc(NC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)ccc1Br 1311071430 BSLHWODDBTZMBW-CYBMUJFWSA-N 437.750 4.768 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCCCOc2ccccc2)c(Cl)c1)C1CSC1 1311250195 TUTCLKXZUBGPPG-UHFFFAOYSA-N 430.957 4.770 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 1313001701 LVPVDUNPEIVUDN-REWPJTCUSA-N 441.597 4.764 30 10 IJEE CN(CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1)C1CCCC1 1314861620 BWACGMJZPJMQNG-UHFFFAOYSA-N 444.986 4.742 30 10 IJEE COc1cccc2c1OC[C@@H](NC(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)C2 1352698624 FIMHXAOKDMTGPD-IBGZPJMESA-N 434.879 4.746 30 10 IJEE N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1C(F)(F)F 1354475571 AMJCWEUQDXKCRO-IBGZPJMESA-N 441.375 4.970 30 10 IJEE Cc1nc(-c2ccc(NC(=O)COc3cccc(Br)c3C#N)cc2)oc1C 1355644311 CZWDMAVOWFVZDI-UHFFFAOYSA-N 426.270 4.610 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 1358048912 GVLWCAATAVRAOP-RBUKOAKNSA-N 435.442 4.751 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CC(F)(F)CO1 1358879774 YJZGXVWXXMXFHN-PBHICJAKSA-N 446.498 4.695 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@H](COC)C1 1358916172 CDDIURYMWIXUSU-IBGZPJMESA-N 430.980 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1359090396 ARDUSXHWZYQNHV-JJSQAQTOSA-N 442.579 4.810 30 10 IJEE C=C(C)COCCn1c(N2CCC[C@H](C(F)F)C2)nnc1C1(c2ccccc2)CCC1 1359136791 VAVPRTKJRJCKQU-IBGZPJMESA-N 430.543 4.822 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCCC[C@@H]2CC)CC1 1359181283 MXTUKDJRTKWMAG-QHCPKHFHSA-N 437.632 4.832 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)CC[C@H]1C 1359223355 IVNCCMYRNIYTJV-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@H]1C)C1CC1 1359250304 HDOMFGNUPBUJQM-HSALFYBXSA-N 443.636 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCN(C)C1CCCC1 1359260612 JPIZUHWYJDTQAN-HSZRJFAPSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCSC1(C)C 1359261160 YKGBPTUCXJHKDB-OALUTQOASA-N 430.593 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(OC)c(OC)c1 1359262784 DYOAUSBEAUBMCP-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359340111 BIAYZPQAYOYNFC-QGZVFWFLSA-N 444.004 4.514 30 10 IJEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCc2sccc2C1 1360098098 HTGLOGSIYBSPBT-UHFFFAOYSA-N 434.613 4.561 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)C2=O)cc1 1435867755 HEQUJUHXSSOIOC-AOYPEHQESA-N 437.543 4.586 30 10 IJEE C=CC[C@@H](CC)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1436066700 ZVEISNFBIOMBHQ-LJQANCHMSA-N 436.581 4.814 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2cccc(OC)c2)cn1 1453489125 HNTSCDSNOHTUNE-GOSISDBHSA-N 446.935 4.808 30 10 IJEE N#Cc1ccc(NC(=O)Cc2ccc(Br)c(Cl)c2)cc1Br 1459965302 FVAUTWFUGWEWMS-UHFFFAOYSA-N 428.511 4.918 30 10 IJEE CCc1c(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)nnn1-c1ccc(OC(C)C)cc1 1460242112 AJMVYSZVSILKCO-UHFFFAOYSA-N 447.539 4.918 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C)cnc2OCC)nnc1-c1ccc(Cl)cc1 1460434961 HNHNMAXZMXWCTG-UHFFFAOYSA-N 443.960 4.617 30 10 IJEE C#CCN(CC1(CNC(=O)OC(C)(C)C)CC1)[C@H]1CCOc2ccc(Br)cc21 1461987296 JMYZOPSMJGWPEF-SFHVURJKSA-N 449.389 4.513 30 10 IJEE C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)C1 1467604947 AWNATYHCWNWWDE-OYRHEFFESA-N 430.596 4.910 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 1477912085 CSFHKONIFGPUEZ-IIBYNOLFSA-N 434.458 4.942 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1507556904 LXMKKLNSTTYILH-CMKODMSKSA-N 430.980 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ncccc1C 1507668411 CNSFCNMVZQENTQ-UHFFFAOYSA-N 441.579 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CCC(=O)Nc1cccc(Cl)c1C 1507761642 NFWPLPQKLSHSDG-WAIKUNEKSA-N 427.980 4.774 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(OC(C)(C)C)CC1 1507805318 JHKVGGGFFCMCGM-DENIHFKCSA-N 444.645 4.696 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1507826823 DTPMTSYLEYVKOI-SUNYJGFJSA-N 440.535 4.864 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1507934945 JNHJRQPKCDENST-WOJBJXKFSA-N 447.624 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CC12CCOCC2 1508011984 QQBTZWSIEXGQOC-QGZVFWFLSA-N 428.964 4.602 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC1CCOCC1 1508025681 QLRFZGCYPQRWEN-UHFFFAOYSA-N 437.975 4.655 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1nc(C(F)(F)F)cs1 1509947721 CEAKWESSAVXRDE-LLVKDONJSA-N 440.882 4.860 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1510289728 FPQSGBLJJAWYQY-SIKLNZKXSA-N 428.531 4.610 30 10 IJEE C#CC[C@@]1(C(=O)NCCc2ccc(-c3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1517408553 MWRWDMIYFWDCMO-MHZLTWQESA-N 432.564 4.805 30 10 IJEE C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)[C@H](Cc1ccccc1)C(=O)OCC 1522166043 LBSKSMCBCHWPDO-PGRDOPGGSA-N 429.944 4.605 30 10 IJEE O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1524253470 FVTTVCMKODJIFD-AWEZNQCLSA-N 443.750 4.603 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCc1cn2cc(C)ccc2n1)c1ccc(Cl)cc1 1525038947 PIVVGZSBOGXPBE-QFIPXVFZSA-N 429.907 4.979 30 10 IJEE C=CCC1(CNC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)CCCC1 1525845775 UMLXHGDLNRJVTE-IBGZPJMESA-N 444.572 4.623 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1sc(N2CCCC2)nc1Cl 1528000637 DDICVGPODNFJES-UHFFFAOYSA-N 442.766 4.976 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CSCC(=O)Nc1ccc(C)cc1 1528000908 KZLCKVVLUOLMAT-UHFFFAOYSA-N 449.370 4.633 30 10 IJEE CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cccc(C#N)c2C)cc1 1530233896 BKFBBBBKEQOWNR-HSZRJFAPSA-N 433.552 4.863 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C1CCOCC1 1532934051 JYVKBJPBIBPKRY-IBGZPJMESA-N 432.289 4.539 30 10 IJEE C=CCSCCNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 1536807515 VVCNEKIRFLMWHD-UHFFFAOYSA-N 432.471 4.602 30 10 IJEE COC(=O)c1ccc2c(c1)N(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CCC2 1538172076 HQOYZUOBOMWQFU-UHFFFAOYSA-N 426.472 4.517 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(N(C)C)nc1 1539659287 QNQWQLFVDSUOSQ-UHFFFAOYSA-N 428.943 4.649 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1539683336 OYABNDCDWFHDSI-IBGZPJMESA-N 439.947 4.681 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1539694491 AENYNMMQQNGPLJ-LJQANCHMSA-N 448.571 4.515 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)c1cccs1 1539736416 XICMBRDLBZPRIJ-QGZVFWFLSA-N 440.569 4.568 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1539774503 CHNJGOSIDTVFBR-LPHOPBHVSA-N 434.943 4.705 30 10 IJEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCc2csc3ccccc23)CC1 1539832587 VRCJZFVSOHFPFX-SFHVURJKSA-N 426.586 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1539923845 IJLVOYVBKVOSFT-GDBMZVCRSA-N 428.524 4.689 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1539948230 VKRDNIGJKAUGPZ-FPOVZHCZSA-N 430.556 4.664 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1540006892 HDXHQUUWEDUQHF-UHFFFAOYSA-N 440.473 4.537 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(F)(F)Br 1540053997 JKHPMGYXKHIBTA-UHFFFAOYSA-N 431.350 4.885 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CC[C@]2(CCSC2)C1)C(C)C 1540151030 BWZWNXVNSRHQJL-QPPBQGQZSA-N 429.678 4.578 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1540911576 VPKQBODTAWVJTL-SFHVURJKSA-N 443.642 4.710 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CCc2scnc2C)c1C 1542029559 HUYXDCNRCLIXBA-APWZRJJASA-N 438.601 4.781 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)c1ccco1)N(C)C 1545807154 BOFHRXIHAJRBEN-GCJKJVERSA-N 434.588 4.974 30 10 IJEE N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CCc2ccccn2)c1 1555986274 HDPQUYKUCMENKO-UHFFFAOYSA-N 440.473 4.623 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)cc1NC(C)C 1557530045 GWLBPVVIUQRIGJ-MRXNPFEDSA-N 438.366 4.515 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@@H](C)C3)C(=O)OCC 1559338240 PHKZQAMUCCSKKQ-CQSZACIVSA-N 434.627 4.840 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](CO)c2sccc2C)cc1OCC 1560364868 BDDOONDAHABRGJ-MRXNPFEDSA-N 426.376 4.606 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 1562197954 XXZUKLBLPVBZPP-NZQKXSOJSA-N 441.597 4.589 30 10 IJEE C=C(C)CCNC(=O)N[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1564789349 VBSOVRGBROXIFJ-LJQANCHMSA-N 429.561 4.545 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CC)Oc2c(Cl)cccc21 1567514756 JULMAOBTNFDVLD-DZGCQCFKSA-N 429.344 4.880 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 1583075731 GEJRSKFUOOOMRI-YWZLYKJASA-N 431.870 4.817 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCO[C@@H](C)C1 1588204996 ALICAAZJRUNNBE-GOTSBHOMSA-N 448.611 4.648 30 10 IJEE C=C(Br)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H](C)C#N 1589316569 DIGNWYGYOGHPAC-CHWSQXEVSA-N 434.407 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1589687831 QBHFVUKHHRNGTH-VXKWHMMOSA-N 425.621 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCC[C@H](C)C1 1589688051 ZGEQRADIXDKIPN-GMAHTHKFSA-N 439.648 4.997 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1594544321 IIZDFQUWHZZQNT-XUZZJYLKSA-N 435.616 4.600 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1594582188 NFHYOEXLVWHRSG-OAQYLSRUSA-N 444.645 4.612 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1595282845 KRHORJQYYMADLG-DVECYGJZSA-N 446.039 4.748 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccccc1OCc1ccc(Br)cc1)C(=O)OC 1596243836 JNTQIJWIJKYPMN-IBGZPJMESA-N 446.341 4.656 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)CCS1 1603079191 HSKCDBBBHGOFLE-MJGOQNOKSA-N 431.556 4.830 30 10 IJEE CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNc1nc(C(F)(F)F)ccc1C#N 1612403778 CRQPEJOCSPQAJH-QGZVFWFLSA-N 429.446 4.507 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(NC(C)=O)cc2OC)cc1OCC 1620866325 NMTAHEQXRUXPSG-UHFFFAOYSA-N 449.345 4.992 30 10 IJEE C#CCN(Cc1csc(C(F)(F)F)n1)[C@@H]1CCOc2ccc(Br)cc21 1621193698 PXOVMVCNDHKRJQ-CQSZACIVSA-N 431.277 4.883 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1622167729 NDOABUVCUZHZGJ-OAHLLOKOSA-N 425.325 4.516 30 10 IJEE C#C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 1624783728 ANYJGHXCJVKMRY-RUZDIDTESA-N 442.490 4.545 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)c3cc4c(cc3Cl)NC(=O)CO4)c2)cc1 1624918684 HTZPORLVABXBMZ-UHFFFAOYSA-N 447.878 4.568 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(Cc3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1630944795 GLRUOHZXBQTMNX-RUZDIDTESA-N 430.564 4.953 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)c1C#N 1633492233 GWZLKXMIDQIDOW-HSZRJFAPSA-N 429.545 4.683 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCOC1(C)C 1635827505 MXPLTNTXVBHAJZ-RPWUZVMVSA-N 448.563 4.544 30 10 IJEE C=CC1(CC(=O)Nc2ccc3cccc(Br)c3n2)CN(C(=O)OC(C)(C)C)C1 1636320786 WOTRWBXVDCKWOM-UHFFFAOYSA-N 446.345 4.749 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccccc1OC)C[C@H]1CCCO1)c1ccc(Cl)cc1F 1636566813 HKYUNEMLOQSCIH-NQIIRXRSSA-N 430.907 4.553 30 10 IJEE C#Cc1ccccc1CC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 1638354037 ZTNGZYCJWFWMCJ-DEOSSOPVSA-N 437.461 4.992 30 10 IJEE N#Cc1ccccc1N1CCN(Cc2csc(-c3ccc(Br)cc3)n2)CC1 1644497034 BSBUMJYKBOCDGD-UHFFFAOYSA-N 439.382 4.766 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2sc(C(=O)OC)cc2c1 1648332030 STSRNPQMTVPNHP-AWEZNQCLSA-N 438.933 4.662 30 10 IJEE C=CCn1c(SCc2ccc(C)c(C(=O)OC)c2)nc2sc3c(c2c1=O)CCCC3 1651637716 KGPCUAMPASMLIT-UHFFFAOYSA-N 440.590 4.910 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3ccc(C#N)c(Br)c3F)C[C@H]21 1651678394 QFWVOEVBZVYKDR-RRFJBIMHSA-N 438.341 4.589 30 10 IJEE Cc1ccn(CC(=O)c2cc(C)n(C(c3ccccc3)c3ccccc3)c2C)c(=O)c1C#N 1652764659 ARJBAWYDQFZLFN-UHFFFAOYSA-N 435.527 4.967 30 10 IJEE Cc1ccc(CCC2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)cc1 1653486649 HKPNZAJUNCPESB-UHFFFAOYSA-N 447.398 4.663 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)Cc3csc4ccc(Br)cc34)n[nH]2)c1 1654861758 GMJWWICRMYRNQB-UHFFFAOYSA-N 438.310 4.502 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCC[C@H](c2ccccc2)O1 1656154231 CFUCBQGNIXKABS-FCHUYYIVSA-N 426.630 4.895 30 10 IJEE C#C[C@H](NC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2)c1ccc(Br)cc1 1658847006 LCWNFSYKVFLQMM-DYVFJYSZSA-N 429.314 4.667 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCCN2CC(F)(F)F)cc1F 1659554197 HMUVQAXUDKRTOL-INIZCTEOSA-N 436.409 4.638 30 10 IJEE C=CCN(Cc1cccs1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 1660564182 ZSUCYVHOHRVLEK-UHFFFAOYSA-N 440.306 4.906 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)cc1 1666815844 VQLWHFFNLZEFDT-GBXCKJPGSA-N 448.629 4.511 30 10 IJEE CCOC(=O)N[C@H](CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)CC(C)C 1670053827 HJWYALLSTPOEAW-IBGZPJMESA-N 440.569 4.992 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1)c1ccc(Cl)cc1 1672889466 NHRWSGUBSQIOIF-LJQANCHMSA-N 448.350 4.737 30 10 IJEE C#C[C@@H](NC(=O)NC/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1 1673024574 CVNAWTULDIXSPI-OAJJDEHYSA-N 448.158 4.899 30 10 IJEE N#Cc1cc(NC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)ccc1OC(F)(F)F 1676977359 CIOCEJJSESYTKH-HNNXBMFYSA-N 438.381 4.831 30 10 IJEE CC(C)(NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccc(Br)cc1 1684365791 HVOYQXHEJVQSMM-UHFFFAOYSA-N 441.373 4.524 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(O)c(Cl)c1 1685068986 GIFSNAKQGCEGCA-UHFFFAOYSA-N 427.701 4.845 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 1687036428 NALPJLKARRYWKN-XYEHWOGUSA-N 445.579 4.963 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)C(C)C 1689837192 ANDFLHYCKUPQFP-WAIKUNEKSA-N 426.561 4.678 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@]1(C)CCCS1 1689841771 NXMGRUUJEMRASR-HOYKHHGWSA-N 442.629 4.876 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1689919324 JYZIALZQZPWQMS-MOPGFXCFSA-N 442.991 4.664 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCc1ccc(Cl)s1 1690043051 NJHHPPHJQAYQLW-UHFFFAOYSA-N 447.995 4.857 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690220775 AAOCQFYIIDELSW-SUMWQHHRSA-N 437.769 4.511 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@H]1C 1690300486 CPCUQPSJRCZOTJ-QUCCMNQESA-N 430.618 4.569 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1690305096 XHWQLWRMKDIAKZ-IBGZPJMESA-N 426.605 4.839 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCCc2cccc(C)n2)CC1 1690413211 KSSHOXZJKWDUBV-UHFFFAOYSA-N 431.584 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CCc1cccc(F)c1 1690579467 MGIXYJCNUGMRBB-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N1CCCCCC1 1690588333 ROAPHBBHNMLDAF-UHFFFAOYSA-N 445.970 4.709 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@H]1CCO[C@@H]1C(C)C 1690605391 IGGIVEFLJVGYKJ-AUSIDOKSSA-N 438.547 4.973 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)c1nccs1 1696220810 DKDLUISKSUBUFD-KRWDZBQOSA-N 438.601 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(C)(F)F)c1 1705505518 LIBPZWRYCKRGMZ-PWIZWCRZSA-N 430.543 4.815 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1cccs1)N(C)C 1705577933 ZHRPFXJSCNODKC-JOCHJYFZSA-N 445.636 4.680 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1705600925 QHQVDNZINGLSEY-AREMUKBSSA-N 443.639 4.619 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCN(C)C1CCCCC1 1705617634 BSSLKDOBRJQJMQ-UHFFFAOYSA-N 425.646 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)C1CCCCC1 1705713875 WSURQBYNEDVEFU-UHFFFAOYSA-N 429.996 4.792 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1705814655 WIRHWCLJUUAEOX-UHFFFAOYSA-N 433.604 4.717 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(OC(C)C)nc1 1705838937 IBMVMYCEKBIEMH-UHFFFAOYSA-N 442.361 4.560 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCc1nccs1)C1CC1 1705852391 ZBCGMKYDWAFQDC-UHFFFAOYSA-N 430.375 4.562 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CCc1cccs1 1705856731 COBXOIADSNEZCN-FQEVSTJZSA-N 438.597 4.678 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1cnc(C(C)C)nc1 1705887947 SWJRNSSKUNSDKI-UHFFFAOYSA-N 444.539 4.853 30 10 IJEE C=CCn1c(N2CCC[C@H]2Cc2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705894092 YEOMKWWTLFQKIV-KSZLIROESA-N 443.617 4.508 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSC[C@H]1C 1705940710 NFBTVTCDQINYJI-IEBWSBKVSA-N 432.659 4.896 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(C2CCC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1706074573 ANAFTAJTULKTSF-KRWDZBQOSA-N 438.576 4.731 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCSC(F)(F)F 1722298943 KJRYHXJVOMABAV-INIZCTEOSA-N 440.535 5.000 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN(C)C1CCCC1 1722299296 OBTZTMANHNQBPL-OAQYLSRUSA-N 437.632 4.621 30 10 IJEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1722313550 BTMOENHGVFITMP-UHFFFAOYSA-N 428.540 4.590 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1722427226 RUNMOJIPEOIGRV-VQTJNVASSA-N 434.506 4.557 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722530389 DOUKLBFFDZRYPD-UHFFFAOYSA-N 440.979 4.741 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1722561992 HEURMOCJMLJLEF-CTNGQTDRSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)N(C)C2CC2)CC1 1722574392 LRARFRYPXWNILW-ZWKOTPCHSA-N 444.023 4.957 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCCn2nc(C)cc2C)CC1 1722583203 SJZPWZBHWFIUSX-UHFFFAOYSA-N 448.615 4.726 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722598931 CYIXKGUSLOWFHD-SLFFLAALSA-N 428.552 4.776 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)c1cccs1 1722632605 ZYQNIJBWDVPCAA-UHFFFAOYSA-N 442.585 4.632 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCO1)C1CC1 1722654070 PSMOBKNQYFMORK-KRWDZBQOSA-N 437.371 4.888 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCc1ccc(OC(F)(F)F)cc1 1722670074 XDWHZOZUTFXUHH-UHFFFAOYSA-N 431.462 4.603 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccnc(C(F)(F)F)c1 1723382728 FXUCFAPZCRFRHK-UHFFFAOYSA-N 428.462 4.761 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1csc(CC)n1 1740574940 MOIABUBDJGEJBJ-UHFFFAOYSA-N 432.597 4.809 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1740597988 ZLYMPNCCUWASKW-UHFFFAOYSA-N 425.989 4.977 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccccc2)CC1 1740843937 UANBFKCNSMWRDI-UHFFFAOYSA-N 444.583 4.912 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740864367 MABKUJYDUNYGPS-PKTZIBPZSA-N 429.653 4.968 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740869365 LCLGGVWGKRNOKP-KBPBESRZSA-N 425.396 4.739 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1Cc1cccnc1OCC(F)(F)F 1740921363 RSGBQINKENNUFO-UHFFFAOYSA-N 449.452 4.557 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1740922557 LGJNIKHBSJNKJF-UHFFFAOYSA-N 431.521 4.721 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1cc(Cl)c2c(c1)OCCO2 1740923032 BRAFNZCIYDJGGH-UHFFFAOYSA-N 430.961 4.568 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740943329 HBMUHRXPYYZELE-HXUWFJFHSA-N 439.604 4.890 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1740944231 UCVQOANHWAKJPB-GFCCVEGCSA-N 435.395 4.746 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1744886154 CJSFXZXKNWFDFM-VURPSTOHSA-N 439.629 4.885 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCSC1 1747617382 FGQDWYGNJYTBNZ-HBMCJLEFSA-N 439.629 4.600 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)c1nc(C)cs1 1748667045 MBLZMHSOXCWYLM-WBVHZDCISA-N 432.553 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1749132945 GBDSRHPTQLRZOS-DPLHUUCSSA-N 426.580 4.862 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1749268489 BOJSDMRPHZLWSQ-CVEARBPZSA-N 438.016 4.627 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccco1 1749585735 CKESQSFIORQWJO-UHFFFAOYSA-N 442.317 4.505 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCS1 1749587186 KPMOSPLRBIRXIY-SFHVURJKSA-N 429.977 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](Cc1ccccc1)OC 1760103626 JJHRQAAVPPHDPL-DXIQSLLYSA-N 448.636 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC=CCC1 1760329236 UVRJDQDQKPPDTD-LJQANCHMSA-N 427.980 4.620 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CC(C)C 1760334387 JRCWSOBBWHNMDU-REWPJTCUSA-N 434.588 4.594 30 10 IJEE C=C(C)Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1 1760349332 ICKFMURQPPGOAI-JOCHJYFZSA-N 448.533 4.854 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C)s1 1760358523 VARIWCPCCJZJIV-UHFFFAOYSA-N 431.993 4.516 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760422413 HBMZCQKNOCEDHM-WZONZLPQSA-N 430.980 4.729 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CCC 1760456867 YYEJZLGVVQKLRH-YADHBBJMSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1760465560 LINXMQYBFXJILF-XXBNENTESA-N 439.604 4.775 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 1760471420 VFSZASMYFGRHPZ-MDKPJZGXSA-N 442.526 4.767 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)c1ncc(C)s1 1760500254 GUMFWTVMKWOGKR-VQIMIIECSA-N 427.574 4.526 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CC1(N(C)C)CCC1 1761076649 DVMZSKGJYLORSZ-UHFFFAOYSA-N 433.604 4.677 30 10 IJEE COC1(CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H](C)CC#N)CCC1 1769753934 IAAPUHQETOHFPY-IBGZPJMESA-N 439.604 4.852 30 10 IJEE COc1ccc(/C=C2/SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)c(OC)c1 1772738338 OWBNLJHZNFXSFH-QDZAYQOHSA-N 438.534 4.672 30 10 IJEE Cc1nc(-c2ccccc2)ncc1C(=O)Nc1c(C#N)cnn1-c1cc(C)c2ccccc2n1 1859489515 MBIBDLVPWPHXQY-UHFFFAOYSA-N 445.486 4.618 30 10 IJEE N#Cc1cccc(C(=O)n2c(=O)oc3cc(-c4csc(-c5ccc(O)cc5)n4)ccc32)c1 1860478575 KUJBWSIQJQHPBB-UHFFFAOYSA-N 439.452 4.651 30 10 IJEE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(=O)Nc1cccc(C#N)c1 1860746887 JAMMVQCJIBDTLF-UHFFFAOYSA-N 447.516 4.603 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2CCCN(C)C)cc1 1862379907 OCQGJQDNUCXDRQ-HXUWFJFHSA-N 447.362 4.832 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1C 1862400643 JRBSXDZOILQMGZ-XMMPIXPASA-N 443.499 4.796 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(N(C)C)cc1 1862459254 GBAFVAOLXMJQQU-NRFANRHFSA-N 446.469 4.794 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2cccc(F)c2)cc1 1862473605 CRSWTLUHVOFGQR-QHCPKHFHSA-N 436.527 4.588 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(F)cc2)cc1 1862555816 IXAYSEPXKQMTFO-HSZRJFAPSA-N 430.479 4.537 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)c2ccccc2)cc1 1862591539 IWKJHJJWADJIRR-MWTRTKDXSA-N 429.472 4.740 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F 1862687409 KVFITURUCOIVEI-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccc(C)cc2)cc1 1862688476 YFEKIRSCRDZPQN-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1cc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3F)C2=O)ccc1F 1863094158 UPSFEROQWWLYDW-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C(=C/c2ccc(OCC)cc2)c2ccccc2)n(C)n1 1870004150 WLAQSXTYBABGQZ-FCDQGJHFSA-N 443.551 4.572 30 10 IJEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccc(Cl)cc1Cl 1870157486 WERLXIUWDWXRBG-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(CC)cc1 1871015410 FGBMFKXTYYTOIG-UHFFFAOYSA-N 427.589 4.508 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(C)c1 1871100113 YGTKLVTUWZZVHS-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE CCCCCCCCN=c1nc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c(N)[nH]1 1871316083 ZBZWWGKYWYVLKC-UHFFFAOYSA-N 440.592 4.620 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O3)CN(CCc1cnc[nH]1)CO2 1871347421 XCBVGPDCRFZGCI-KSEXSDGBSA-N 429.520 4.852 30 10 IJEE COc1ccc(OCCN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)cc1 1871351705 QVOKTXQLYWJPHM-QRVIBDJDSA-N 447.487 4.752 30 10 IJEE Cc1c(OC(=O)CNC(=O)c2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871366418 DUXRLQKPMPFKKF-BKUYFWCQSA-N 447.874 4.600 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC)cc4OC)c3C)C2=O)cc1 1871386610 DMVKPPSVAADSKU-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE O=C1/C(=C/c2ccccc2F)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 1871434752 VZDHNEROJUISGO-AFPJDJCSSA-N 449.390 4.796 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCC)cc1)C(C)C)S(=O)(=O)c1ccccc1 1872172351 FSVRCZHRBYDFNV-QHCPKHFHSA-N 444.597 4.706 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)C1CC1 1872176176 FGBCGZCEXGSMMJ-JOCHJYFZSA-N 436.618 4.733 30 10 IJEE Cc1cc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCc3ccccc3)C2=O)c(C)c1 1873322674 KXFQNJVPUXJRIX-UHFFFAOYSA-N 435.527 4.918 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccc(O)cc1O 1874249805 LPROCPNPNOMGET-ZVHZXABRSA-N 438.553 4.560 30 10 IJEE CCc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SCCCO)cc1 1874282161 DKGYPKQUTHGAHA-LFVJCYFKSA-N 428.989 4.636 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874325031 UZNDJRYCPCZZRB-LPYMAVHISA-N 425.514 4.766 30 10 IJEE COc1cc(/C=N/n2c(Cc3ccc(Cl)cc3)nnc2SC)ccc1OC(C)C 1874339066 HRIAKLAWVBQTBK-YDZHTSKRSA-N 430.961 4.922 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccco1 1874394291 ISDJZIXSEUGNBI-FRQJIFLKSA-N 449.511 4.775 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccco2)cc1 1874406382 IOOSFAYKHNTLRR-BUVRLJJBSA-N 437.569 4.915 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 1874450913 NDCVXARUHULTOY-AOOMUMSASA-N 428.945 4.972 30 10 IJEE CC(C)(C)c1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccccc1F 1874485089 DPDMECNCBUSZRH-WYMPLXKRSA-N 436.516 4.538 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2)c(C)c1 1874498565 PDKYYJDFMDMTDI-DHRITJCHSA-N 437.544 4.915 30 10 IJEE C[C@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1874575403 LTCBYRHDLZVGAJ-QCUIPMNBSA-N 430.460 4.747 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccccc2)cc(Br)cc1OC 1874578019 RDFQSPAJCDWVCQ-VAWYXSNFSA-N 446.341 4.601 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C/C(=O)c1ccc2c(c1)OCO2 1874582990 QHTYQJDCDJXZKS-ZRDIBKRKSA-N 429.472 4.946 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc3c(c2)OCCO3)CSc2nnc(CC)n21 1874836614 QQHMOXXQVNBZDY-SFHVURJKSA-N 444.601 4.674 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1 1875118048 NSSVOOHZURNQCQ-XYOKQWHBSA-N 442.467 4.957 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 1875118129 TVEFMHPHUSKDNV-UUILKARUSA-N 432.388 4.927 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 1875159426 CPHXHNVALDWZBT-VZUCSPMQSA-N 436.351 4.757 30 10 IJEE CN(CCN(Cc1ccccc1)c1nc(C(C)(C)C)ccc1C(N)=NO)Cc1ccccc1 1876818818 GEHDLBNTQIKVJX-UHFFFAOYSA-N 445.611 4.612 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(c2cc(Br)cc(F)c2C#N)C(C)(C)C1 1879287816 ADKJWXAVYBNBJM-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE C#Cc1ccccc1C(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952754315 ZUFKTLYUSADERF-VWLOTQADSA-N 439.511 4.937 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1976227524 PGKAFRZSHLOOSQ-HIFRSBDPSA-N 447.167 4.552 30 10 IJEE CCCCC#CCNc1cc(I)cc(I)c1 1994162010 KTDJKUHAMHALKH-UHFFFAOYSA-N 439.078 4.501 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(Cl)c(Br)c1F 2047969843 FENFTAWXOZXQPW-ZIAGYGMSSA-N 435.765 4.971 30 10 IJEE O=C(N[C@@H](CS)[C](O)Sc1ccccn1)OCC1c2ccccc2-c2ccccc21 2081070354 BYLUTYAQPDBYBJ-FQEVSTJZSA-N 437.566 4.873 30 10 IJEE C#CCN(C[C@H](Cc1cccc(Br)c1Cl)NCCC)C(=O)OC(C)(C)C 2110499786 CQVWYQJABOHXPD-INIZCTEOSA-N 443.813 4.884 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NC 2110509882 MHDRKICHZFLZMJ-LSDHHAIUSA-N 447.776 4.679 30 10 IJEE CC1(C)OB(c2cnc(Oc3ccc(Cl)cc3F)c(Br)c2)OC1(C)C 2115995613 HRFORNARYWGPML-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC1(C)OB(c2cnc(Oc3c(F)cccc3Cl)c(Br)c2)OC1(C)C 2115996329 MNALLHKLELUFSE-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE N#Cc1cc(Br)ccc1O[C@]1(C(=O)O)CCCC[C@H]1OCc1ccccc1 2162006299 NVAISGNAPRWAHO-TZIWHRDSSA-N 430.298 4.682 30 10 IJEE CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Br 2181046480 LDOQQHTWTLPLBF-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(C(=O)NCc2cccc(C#N)c2)ccc1Br 2181056804 YDOHXEYLQJIARR-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccccc1Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2232323879 RQSWJCGHCPWWAY-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@H](O)C#Cc3ccccc3Br)c2C1 2235728858 IIGRQLWXOIHVBD-HXUWFJFHSA-N 428.326 4.785 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@@H](O)C#Cc3ccccc3Br)CCC[C@H]21 2235741200 SRVFAHBZLWRRJW-LFGUQSLTSA-N 434.374 4.587 30 10 IJEE N#Cc1ccc(NC2CCC(NC(=O)OCc3ccccc3)CC2)cc1Br 2249985388 FYKGTEJEZSJFKM-UHFFFAOYSA-N 428.330 4.970 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@H](O)C#CC1CCCCC1 2289618228 BCTHJWZAQRSWKS-VQTJNVASSA-N 436.390 4.830 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 2296215633 BYXVWQLCROSUPR-NSISKUIASA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@@H](N)C#Cc3cccc(Br)c3)c21 2296219204 LYDSSYQDXDHUCA-IBGZPJMESA-N 427.342 4.798 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 2296221061 FJQSBIYBEWABDD-OALUTQOASA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@]1(C)CCN1C(=O)OC(C)(C)C 2296279250 NCDDPOPPZQPYNL-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CN(CC1CCCC1)C(=O)OC(C)(C)C 2296297116 VTCLWVSTUHGETG-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CCc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 2296936133 BNKGMXORMSBJJE-FPOVZHCZSA-N 425.912 4.503 30 10 IJEE O=C1C(=CNc2ccccc2F)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 2297378324 AXHMQSGBZIRESD-UHFFFAOYSA-N 432.473 4.513 30 10 IJEE CCCN[C@H](C#Cc1cccs1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2300795864 CGXGKESRPQWUJD-UEVCKROQSA-N 442.625 4.966 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2302802053 DZCMSCQNGZWJLZ-ZACQAIPSSA-N 436.557 4.900 30 10 IJEE C[C@H]1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317353729 JBYKBPOUIWCYIX-WMZOPIPTSA-N 430.354 4.503 30 10 IJEE CC1(C)OB(c2cc(N(Cc3ccccc3)CC3CC3)nc(C(F)(F)F)c2)OC1(C)C 2317354411 OXFDINAQKAJNKD-UHFFFAOYSA-N 432.295 4.816 30 10 IJEE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O 2323087702 VCODQQOWGWLPJE-UHFFFAOYSA-N 442.254 4.989 30 10 IJEE CCOc1c(Cl)cc(C=Nn2c(S)nnc2Cc2ccc(F)cc2)cc1Cl 2323544067 LOSNCLGLWUCIFK-UHFFFAOYSA-N 425.316 4.884 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323573746 PPZOMACUHIQQEL-NRFANRHFSA-N 430.589 4.623 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccccc3F)CC2)c2c1C(=O)C(=Cc1ccccc1)O2 2324128279 ZXYFFWYAHHDDJL-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2 2324141018 ZDXGVYIXTOYAML-OAHLLOKOSA-N 445.918 4.846 30 10 IJEE O=C(C=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(C(F)(F)F)cn1 2325669664 FQBSLIJBMTWSBY-UHFFFAOYSA-N 426.394 4.900 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)OC)nnc2-c2ccccc2Cl)cc1 2329587940 FTPONJCISPGBIC-UHFFFAOYSA-N 444.944 4.535 30 10 IJEE CCCSc1nnc(CCc2ccccc2)n1N=Cc1cc(Br)ccc1O 2330206370 VJHMSZNZJGROGF-UHFFFAOYSA-N 445.386 4.916 30 10 IJEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccc(F)cc2)cc1O 2330814619 PHERJXWKRRMJMC-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 2330993923 LGHFQVCFPRHCKV-GOSISDBHSA-N 442.928 4.656 30 10 IJEE CCCOC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1c(Cl)cccc1Cl 2331164184 KVELZEYVWDCGOJ-UHFFFAOYSA-N 441.262 4.531 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2ccccc2F)c1C 2331174489 WJROGLLGXFVXRQ-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)c1 2331385875 QEDIWVQTHNSIHI-UHFFFAOYSA-N 425.514 4.672 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)C(F)(F)F 2331404585 SHMCNSWEZYIOLH-UHFFFAOYSA-N 448.393 4.559 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2339585677 SIYXIEGNNGCKDC-MISYRCLQSA-N 441.381 4.536 30 10 IJEE CC[C@H]1[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339587763 YXNYEVGGILTJPK-RBUKOAKNSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(C)(C)[C@H](N)C#Cc1ccccc1Br 2363387917 JLVXZMGGCHNWLX-MOPGFXCFSA-N 435.406 4.944 30 10 IJEE COc1cc(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)ccc1Br 2364847632 BNJUZCRASMQZDJ-UHFFFAOYSA-N 439.546 4.549 30 10 IJEE CC1(C)OB(c2ccc(CO[C@@H]3CCCC(F)(F)C3)cc2Br)OC1(C)C 2377311129 RQFRLGCXKMZXMJ-CQSZACIVSA-N 431.126 4.843 30 10 IJEE C=CCn1c(SCC(=O)N(C)Cc2ccc(CC)cc2)nc2sc(C)c(C)c2c1=O 18352267 TVVSBEGUHDMHEH-UHFFFAOYSA-N 441.622 4.574 30 10 IJEE CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 21722945 NANCFHJSPAVOAJ-JOCHJYFZSA-N 425.554 4.865 30 10 IJEE COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321104 UGXMQJVKAXFANB-MWTRTKDXSA-N 432.476 4.664 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)cc1 34387156 GXNNRPFYHCTMKP-QWCFKXENSA-N 426.424 4.708 30 10 IJEE N#CCCN(CCC#N)c1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] 40618210 YAHKZDIZQOHFPA-UHFFFAOYSA-N 429.440 4.554 30 10 IJEE CC(=O)Nc1cc(C(=O)/N=C(\NCc2ccccn2)Nc2ccc(C(C)C)cc2)ccc1C 46125906 AQHYXZQOLFUUBD-UHFFFAOYSA-N 443.551 4.870 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(Br)cc2C)n[nH]1 59890785 HGXLNRGYMWLEKR-CIAFOILYSA-N 439.383 4.584 30 10 IJEE CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N\C2CCCCC2)[C@@H]1N1CCSCC1 105421772 FLAGTMGGFZGMQU-LJZRKVIHSA-N 426.655 4.880 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccncc1 170019425 BSWFZPZXUFZIPM-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 170054127 JFOBSTCNLHKNBH-XMMPIXPASA-N 443.499 4.525 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(Cl)cc1 170060375 VYYBXCLNYXCDEN-NRFANRHFSA-N 444.934 4.708 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140276 XRLBRJCAJARLNM-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(C)c1 170141774 BXXRYYXGQPBPSD-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1OC(C)C 170150863 IXQLSZYRWZGGEJ-OAQYLSRUSA-N 438.480 4.760 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1C 170163657 PKBMMPHOCDUNHW-OAQYLSRUSA-N 434.517 4.547 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 170189616 ALZLBROKUJAHOR-JOCHJYFZSA-N 426.428 4.619 30 10 IJEE CCOc1cc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)ccc1O 170465975 BGYZSDLIRVHHTC-DEOSSOPVSA-N 437.536 4.919 30 10 IJEE COc1cc(/C=C\C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1OCC#N 209599886 YVMUGKGDDWAYPJ-SQFISAMPSA-N 426.516 4.949 30 10 IJEE Cc1ccc(C)c(NC(=O)c2c(N)n(N=Cc3ccccc3)c3nc4ccccc4nc23)c1 254303576 OAXUERSBDOPGJH-UHFFFAOYSA-N 434.503 4.918 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1Br 428526028 GGDBUDOTWJBNFO-UHFFFAOYSA-N 438.119 4.879 30 10 IJEE COc1ccc(NC(=O)NCC2(CC#N)CC2)cc1NC(=O)c1ccc(Cl)cc1F 431112997 FBWUXFVXSOJNKK-UHFFFAOYSA-N 430.867 4.555 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 475557335 AAIBPQFKVIKRMV-NRFANRHFSA-N 437.584 4.952 30 10 IJEE C=CCN(C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)c1nc(C(=O)OCC)cs1 501943337 GPOFIUOSZWPHAR-UHFFFAOYSA-N 446.532 4.800 30 10 IJEE CCCCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC)cc1OC 526822340 ITGZJPMWXHDFFN-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 543942796 DNXVNVXRJAPZCB-GGAORHGYSA-N 442.485 4.509 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 549248383 PGAKSURGQVSRHE-VXKWHMMOSA-N 436.943 4.762 30 10 IJEE C=CCCCN(C)c1nnc([C@H](C)Oc2cccc(Br)c2)n1C[C@@H]1CCOC1 550025043 PPYKLROHYDQGOH-IRXDYDNUSA-N 449.393 4.620 30 10 IJEE COc1ccc(-n2c(Sc3nc(C)cc(C#N)n3)nnc2-c2ccccc2)cc1Cl 553243961 GBGILKNZWAAOOS-UHFFFAOYSA-N 434.912 4.718 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 555240714 RWYZXSNPJYJBEP-KRWDZBQOSA-N 449.521 4.529 30 10 IJEE Cc1cc(N(CCCC#N)S(=O)(=O)c2cccc(Cl)c2)ccc1Br 586222250 IDKJTPPQFBZMAI-UHFFFAOYSA-N 427.751 4.910 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2CCC(Cc3ccccc3OC)CC2)c1=S 764964308 HNGYLHHABBGCPD-UHFFFAOYSA-N 435.597 4.583 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)Nc2ccsc2)cc1 790117055 HKZJZXXUTNAKMU-UHFFFAOYSA-O 439.586 4.614 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1ccc(F)cc1 812945590 FAPZJDGPKDHLRP-JOCHJYFZSA-N 438.480 4.518 30 10 IJEE COc1ccc(Br)cc1C=NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1081093853 VOUJHRJVVQJBRI-UHFFFAOYSA-N 433.287 4.935 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2cccc(Cl)c2)n[nH]1)c1ccc(F)cc1 1083954490 QLMSLGQNLYSJLO-UHFFFAOYSA-N 432.912 4.554 30 10 IJEE Cc1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccc(Cl)c3)n2)c(C)c1 1084392750 OAWSIBUVITVOJW-UHFFFAOYSA-N 428.949 4.642 30 10 IJEE C=CCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2cccc(Br)c2)nn1 1128948694 ULARHOCLLNZYPJ-UHFFFAOYSA-N 433.693 4.925 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1C#N 1129202400 AAMSKFUGFPZMPD-UHFFFAOYSA-N 433.533 4.979 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 1136323296 XBUBMFYGXGQHNY-SFHVURJKSA-N 449.979 4.504 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(C)c3ccc(Oc4ccccc4)cc3)ccc2c1=O 1142648791 AUBCYPSNBXIFMB-UHFFFAOYSA-N 443.528 4.940 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 1147166179 NFLFHAXTEJGILD-UWJYYQICSA-N 430.545 4.800 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(F)cc1I 1154366803 BEUKUHYPKFVFLT-UHFFFAOYSA-N 425.241 4.580 30 10 IJEE C=CCCN(Cc1cc(OC)c(C(=O)OC)cc1Br)OCc1ccccc1 1169452358 SROSVRVULAGAEM-UHFFFAOYSA-N 434.330 4.754 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1snc(OC)c1Br 1178927384 WVKACCVPMKVHFI-UHFFFAOYSA-N 434.153 4.854 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 1184410735 LZJJMHMGRKYZEL-MHECFPHRSA-N 432.992 4.869 30 10 IJEE COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1 1218507057 CHPXBUZWRZZUDN-AWEZNQCLSA-N 432.977 4.980 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](COc1c(C)cccc1C)C(C)(C)C 1224091387 BQSFUPLXQAMVDG-QFIPXVFZSA-N 428.573 4.970 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1 1273110968 QSLJTDMJCPPJCR-UHFFFAOYSA-N 435.527 4.849 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1)C(C)(C)C 1275497456 CYUPYRAVRNGGTK-LSQMVHIFSA-N 432.564 4.652 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1286316772 GLYQUNPCROHSJM-QFIPXVFZSA-N 449.002 4.508 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286333404 GQKKSVDCFZGGCH-IEBWSBKVSA-N 429.490 4.719 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)OC(C)(C)C1 1286337364 FSMOAYISGVITSJ-FQEVSTJZSA-N 431.584 4.770 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)c1cccs1 1286363329 QTKDJHDYRDWXLW-OAQYLSRUSA-N 442.997 4.852 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)Cc1cccs1 1286404416 SPUIRQJGTAYFOO-QGZVFWFLSA-N 438.984 4.620 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1286508331 KJYHUCXDZBWUPE-IBGZPJMESA-N 443.686 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](COCC)C1 1286553870 VWTGVOCJXFQEPW-JRFVFWCSSA-N 438.616 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N[C@@H](C)[C@H](OC)c2ccccc2Cl)nnc1C1CC1 1286561906 HHIQJRCTBIOUAI-JHOJWFKBSA-N 430.980 4.978 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(OC)CCC(C)CC1 1286569377 NWDKMZNNMUDJTE-UHFFFAOYSA-N 442.604 4.960 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC=C(Br)C1 1286585936 TURZVZKESBJYLU-INIZCTEOSA-N 447.377 4.882 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCC[C@@H]2C)CC1 1286657292 WFGATXIYDJSBAB-UNMCSNQZSA-N 437.632 4.922 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CCC(=O)NC2CCCCC2)CC1 1286664950 NAGQHROBROJMOZ-UHFFFAOYSA-N 449.643 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286666754 FBZAFCZQWCNXJZ-UHFFFAOYSA-N 429.996 4.505 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286696598 JJBRIFGRCAKYDO-QGZVFWFLSA-N 445.405 4.805 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCCC1 1286730219 CSYYXFWHHSCNIM-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CCSC2)C1 1286777417 YSQWQJPJBAKWNO-IBGZPJMESA-N 425.385 4.683 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCc1cccs1 1286777509 DFPZHLFZNSVHAY-SFHVURJKSA-N 431.606 4.667 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 1286827276 JEWHGYKBCIFONW-KBPBESRZSA-N 439.398 4.858 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286831053 ZVMGIIRFUFUUAU-UHFFFAOYSA-N 443.020 4.864 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@@H]1C[C@@H]1C 1287605027 CGXKOGVHQUZVEH-GHTZIAJQSA-N 447.587 4.583 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCC(C)C)C1 1292340557 BJVOYLFBIALPSH-LOSJGSFVSA-N 439.604 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C)C1CCCCC1 1300275645 XNYWTZAJGQNKMQ-RBBKRZOGSA-N 437.632 4.757 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300371520 UNLXXQDMANUPJE-HSZRJFAPSA-N 438.616 4.659 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(SC)CCOCC1 1300606153 HBHQYEPGLCUJHN-UHFFFAOYSA-N 444.670 4.647 30 10 IJEE C#CCSCCn1c(Cc2ccccc2C)nnc1N(C)Cc1ccc(Cl)s1 1300765289 CYAWLJYPOCJUFF-UHFFFAOYSA-N 431.030 4.895 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(CN(CC)CC)cc1 1300789459 MOUTWSBWNKPDQF-AREMUKBSSA-N 431.584 4.729 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CCCC 1300876654 UVTTXGSRHQGKJQ-UNMCSNQZSA-N 439.604 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1300908077 XPMVXFQGPQEGAY-UHFFFAOYSA-N 437.588 4.915 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1cccs1)c1ccccc1 1301002913 AGEBWEOJJGQYTI-GOSISDBHSA-N 444.564 4.898 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1301072242 GIIAUOVJSZIEJL-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1301072543 LBWKIXGFCPOVTD-CRAIPNDOSA-N 449.418 4.907 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301160440 QYADTSBNLJQYTR-YADHBBJMSA-N 438.616 4.939 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1301349868 PKPQQBDBHVRZPW-JVFUWBCBSA-N 426.580 4.849 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1ccc(CC)cc1 1301359483 KPGDFHTWYKNYSP-UHFFFAOYSA-N 432.597 4.738 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1C1CCC1 1301602843 WZRJLBHLIUGQBF-LJQANCHMSA-N 428.602 4.650 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1 1302791763 BLSFBDJSDJMZLR-QPPBQGQZSA-N 437.588 4.560 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3C[C@H]3CCOC[C@@H]3C)cc2C1 1304980256 FFGXQCXYWBBHOU-XMTFNYHQSA-N 427.618 4.542 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 1309216222 GCHDMYXOWYIVCB-DQEYMECFSA-N 432.545 4.726 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(Br)ccc1C1=NCCO1 1311199755 JOTUCFBJPWORGM-QGZVFWFLSA-N 428.330 4.535 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1)c1ccccc1 1312334734 SMQJQEXBJUXMHT-SIKLNZKXSA-N 445.401 4.915 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1 1314926853 FQTGIGCNROPBJR-OAQYLSRUSA-N 441.023 4.849 30 10 IJEE CSC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CCC1 1316397981 HFNDPOZIZKXHBB-KRWDZBQOSA-N 443.592 4.973 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F 1354544402 AWUCDKQKHBLBQS-XXBNENTESA-N 443.513 4.650 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(OCc4cccnc4)c3)cc2)nc1 1356209278 CUZVCBBVVJZQRN-UHFFFAOYSA-N 436.471 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1359099682 RLDVHOGIACSHJH-PWWKTKHKSA-N 437.632 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCc1csc(CC)n1 1359114614 QQRQVYUNQJXIII-UHFFFAOYSA-N 431.556 4.811 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](OC)C(C)(C)C1 1359127958 FPHUWLVUNBKRMY-OAQYLSRUSA-N 444.645 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1359185084 KTIHMHZBZQNPBE-IBGZPJMESA-N 442.604 4.958 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ncc(CC)s1)c1ccccc1 1359195367 LHQQPPCWDNDDHQ-UXHICEINSA-N 437.613 4.797 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359206126 VJKGFWMVLQPXHG-NRFANRHFSA-N 438.551 4.699 30 10 IJEE C=CCCCn1c(N(C)Cc2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359220718 HHDSLYRBPGCHHK-BGYRXZFFSA-N 425.577 4.651 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](CC)C1 1359224519 USFJIECMRKSSPA-DOTOQJQBSA-N 439.387 4.848 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359226381 DSMBVFUXGBYBJF-LJQANCHMSA-N 430.980 4.840 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CCCS1)C1CC1 1359253714 RBQPSYLXXWGTKG-FDDCHVKYSA-N 447.649 4.791 30 10 IJEE C=CCOc1ccccc1CNC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 1360567300 WNBILVRQGSDMPU-XMMPIXPASA-N 428.532 4.737 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(Br)cc(C(=O)OC)c2)c1 1435009829 VVJFZCVOXIXRII-UHFFFAOYSA-N 438.277 4.657 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)c1 1436480063 BTZACOKJZYMTHO-GJZGRUSLSA-N 445.610 4.588 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)c1ccccc1 1446506790 SQYQYJRLHNSNQS-FQEVSTJZSA-N 448.567 4.714 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc(F)c(F)c1 1459186455 SBWZJFUGRSAPCZ-JOCHJYFZSA-N 438.474 4.941 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1465006626 BAOYNWWVJHCMSK-AVRDEDQJSA-N 433.618 4.896 30 10 IJEE C#CCN(C(=O)Nc1cccc(I)c1)[C@H]1CCCc2ccccc21 1465132615 GILBDRZSZPPCDU-IBGZPJMESA-N 430.289 4.836 30 10 IJEE C#CCOc1ccc(NC(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc1 1465628760 VRZQPZSNHIJCNI-UHFFFAOYSA-N 433.733 4.968 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 1465689867 FNYOOOSNNXZHOS-UHFFFAOYSA-N 433.549 4.513 30 10 IJEE COC(=O)COc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cc1 1466726539 DJRAQIROACLWGG-GOSISDBHSA-N 444.487 4.702 30 10 IJEE C=CCN(C(=O)c1cccc(Oc2ccncc2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1466893912 LUBJHBCVBUGOKP-DEOSSOPVSA-N 430.504 4.677 30 10 IJEE C=CCn1c(S[C@H](C(N)=O)C(C)C)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1472916131 IRSIRTQWNZJBPO-QAPCUYQASA-N 432.659 4.946 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)Cc1cc(Br)c(O)c(Br)c1 1474382712 PCLRASFGGRTBDV-UHFFFAOYSA-N 436.147 4.977 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1Cc2cc(OC)ccc2C[C@H]1C1CCCCC1 1477916017 RBDOWMGTLMCRII-VWLOTQADSA-N 432.564 4.924 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC(C)(C)c1cccs1 1503476049 CYSWPPRDQNQGNM-UHFFFAOYSA-N 442.592 4.811 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OCCC)nc1 1507518014 SMPHYZRAFNFUEO-PZJWPPBQSA-N 447.583 4.725 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1507595995 YDXRXTYYVFBMIV-UHFFFAOYSA-N 448.615 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1507800295 UXFILGGKVHJAFN-SUWCGCSTSA-N 446.542 4.629 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1507824419 BYLCLVSMVKUECD-OAQYLSRUSA-N 436.629 4.796 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1507848356 XLZCYBYWJVPLLO-DHIUTWEWSA-N 438.616 4.681 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(O)(CC)CC)CC1 1507880596 KLHWKRVTFUXVEY-UHFFFAOYSA-N 433.394 4.724 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1507881258 SKLDYOHDSGZNQW-LJQANCHMSA-N 439.604 4.919 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 1507927634 AGLOJMZJGLSSPC-IRLDBZIGSA-N 435.616 4.633 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)C1 1512102044 HGJHANMTTVDXPZ-PBASOCQRSA-N 425.552 4.882 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1514038656 HYQMZCUTRHKMGY-FYYLOGMGSA-N 434.632 4.954 30 10 IJEE C=CC[C@]1(C(=O)Nc2cnc(Cl)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1517143842 DHQWXMHZACNUCG-GOSISDBHSA-N 444.757 4.782 30 10 IJEE C=C(C)[C@@H](NC(=O)Cc1ccccc1I)c1ccc(F)c(F)c1 1523230223 BQLUCKZDAFJUBU-GOSISDBHSA-N 427.232 4.546 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Br)c(F)cc2C)cc1 1526773032 CCNZXCJWOOPERW-UHFFFAOYSA-N 431.305 4.963 30 10 IJEE C=CCC(F)(F)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1I 1527791156 UYUKRCVZVYLCHO-INIZCTEOSA-N 445.222 4.847 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2nc3ccc(I)cc3s2)cc1 1529787486 XZHSEHLKYDMVNS-UHFFFAOYSA-N 448.285 4.555 30 10 IJEE C#CC[C@H](COC)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1530733055 AAANUYCLAXXXEG-CQSZACIVSA-N 438.427 4.533 30 10 IJEE C=CCC[C@@H](NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)c1ccccc1 1534344997 ZKDGSULKZTUFNK-HXUWFJFHSA-N 441.453 4.997 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nc3ccccc3n2Cc2cccc(OC)c2)cc1 1536880194 IZZMCZPXNWEPMG-UHFFFAOYSA-N 427.504 4.839 30 10 IJEE C#CCN(C(=O)c1cc2ccccc2nc1C)[C@@H]1CCOc2ccc(Br)cc21 1538198048 DWUSKFPCOHMQIM-OAQYLSRUSA-N 435.321 4.905 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC=CCC1 1539278741 KGYNUICCLVZEET-QGZVFWFLSA-N 429.351 4.593 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccco1)N(C)C 1539662487 URNSSFNBDULFHO-QFIPXVFZSA-N 432.572 4.735 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cccc(F)c2)CC1 1539875416 RBAPLBTVOQCKBQ-UHFFFAOYSA-N 444.352 4.636 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1539917399 UQEIXGLRWAAQRR-NYLDSWQDSA-N 430.637 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1539926471 NMOBSHMAFIWTDK-RUZDIDTESA-N 426.580 4.850 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC)C1 1539966899 NESPLETVFWBGIV-VQTJNVASSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1540148243 SIGKRMIKXWAUMS-XZDHIHRUSA-N 443.661 4.894 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)OCCc2sccc21 1540158756 PILOAWDDXFRHIP-XMMPIXPASA-N 431.565 4.545 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1541510713 HAUZUWLMWDNGHL-NHCUHLMSSA-N 434.632 4.952 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)NC2(c3ccccc3Br)CCCCC2)c1 1544849929 FSFGZJLPTKLLGV-UHFFFAOYSA-N 426.358 4.976 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1 1561568241 AARGFCAYWSEFTH-HXUWFJFHSA-N 433.558 4.739 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)cc1Br 1561646610 CDQBVIOQCDVOIQ-KRWDZBQOSA-N 428.779 4.709 30 10 IJEE CC[C@@](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)(C(=O)OC)c1ccccc1 1562360289 DRSAEAHEMQIGKJ-SANMLTNESA-N 443.503 4.993 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H]3CCN(C)[C@@H]3c3ccc(Cl)c(F)c3)cc2n1 1563301534 FQYCRXAYLGOOFJ-OPAMFIHVSA-N 441.938 4.829 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 1566495082 WWUFTEFZFKOTDX-JOCHJYFZSA-N 438.936 4.635 30 10 IJEE C=C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@@H](C)C2 1585421800 NPCBMTKXHYTTKU-ALDQJZCSSA-N 428.532 4.643 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCC[C@@H](C)C1 1587592189 AMVNVRBRLCDQKO-QZTJIDSGSA-N 431.987 4.708 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCC[C@H]1OC 1587662173 LWLACPOATZIGNW-CNNODRBYSA-N 445.007 4.525 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(CC)C(C)C 1588270911 AGHJDSUORAVBKV-UHFFFAOYSA-N 432.616 4.542 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCCS1 1588283684 BQWORZPWKABFCY-QGZVFWFLSA-N 433.419 4.761 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(CC)C(C)C 1589117002 RHOCGOMJNWPVNE-UHFFFAOYSA-N 427.401 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ncccc1Cl 1589694718 RDSDUBGENBDUOW-IEBWSBKVSA-N 448.011 4.727 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)CN1CCCCC1 1594856531 GSKFHOHPVASKRC-DENIHFKCSA-N 425.621 4.779 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC(=C)Br 1595132924 ASGOHVATKKMILF-UHFFFAOYSA-N 442.336 4.504 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)C 1595171521 WHWJFPHXJVHKIO-BHIFYINESA-N 429.653 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1Cc1ccnc(C(F)(F)F)c1 1595223748 ZHKHOTBCNYKNGR-UHFFFAOYSA-N 443.473 4.518 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC[C@H]1OC 1595275873 RFPGCDDIBBWUAT-WOJBJXKFSA-N 444.645 4.729 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C(=O)OCC 1598350283 KBDNCCCPSARSOU-HNNXBMFYSA-N 427.444 4.941 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc(Br)nn3-c3ccc(C)cc3)cc2n1 1611185616 YQBPZQWPMNCCPW-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1nccs1 1611745783 CLOJDCMFHBVQAY-HNNXBMFYSA-N 442.976 4.706 30 10 IJEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1613069586 GENBWFUIBPSLMA-KRWDZBQOSA-N 435.494 4.944 30 10 IJEE C=CC[C@]1(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1618189589 HLWRXEJEAZPZLZ-WPSZSDGUSA-N 448.991 4.974 30 10 IJEE C=CCC1(NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CCCC1 1622358629 VYATZSFBGDKCCY-UHFFFAOYSA-N 427.389 4.740 30 10 IJEE C#CCN(C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1)[C@@H]1CCCc2ccccc21 1623291718 QQGKHWGSHUJONT-GOSISDBHSA-N 435.421 4.906 30 10 IJEE C#C[C@H](CC)NC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1626844004 JKIDSRSEDMMIJS-OAQYLSRUSA-N 438.527 4.867 30 10 IJEE C#C[C@H](NC(=O)CSc1nccn1-c1cc(C)cc(C)c1)c1ccc(Cl)cc1F 1627268583 ODWGFCMEFRFISV-FQEVSTJZSA-N 427.932 4.864 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 1628681017 SAPGRTGCYKHQIP-SANMLTNESA-N 448.588 4.600 30 10 IJEE Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 1629088344 AGYWNXIMNSWQOX-UHFFFAOYSA-N 449.367 4.810 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2F)cc(OC)c1OC 1630469142 LXHSSSYBDNLPCG-UHFFFAOYSA-N 427.303 4.878 30 10 IJEE C=C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)c1ccccc1 1632079974 QHMOAFIJZFIVTK-HXUWFJFHSA-N 427.342 4.596 30 10 IJEE C#CCC1(O)CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1 1633141094 QZNDTKHICXMLIG-UHFFFAOYSA-N 431.557 4.985 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)CCCC1 1636902157 SPSKYMUYOZDXKY-UHFFFAOYSA-N 441.551 4.761 30 10 IJEE C=CCC1(O)CCN(C(=O)c2cc(Br)ccc2OCc2ccccc2)CC1 1638656736 UECIFXZPGCWGBK-UHFFFAOYSA-N 430.342 4.571 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccccc3F)C2=O)nnc1-c1ccc(OC)cc1 1640638532 ZPCFMGKHAGKLQC-FQEVSTJZSA-N 438.528 4.567 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1643543330 OIKCORORANZNTH-YKRMCXMESA-N 428.532 4.787 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(c3ccc(Cl)cn3)CC2)CCCN1C(=O)OC(C)(C)C 1644149511 HAWPIFBKXOERKA-HSZRJFAPSA-N 433.980 4.787 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)C1 1645066792 MNBFYRAQZYKNKR-SFHVURJKSA-N 433.618 4.761 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C/Cl 1646518053 RPMVTKTUEUDMQT-VWMRQFFHSA-N 445.346 4.905 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)C)C1 1649663210 FXRKSDZVEPUSSL-NJDAHSKKSA-N 427.618 4.598 30 10 IJEE C=CCn1c(SCCOC2CCOCC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1652348779 BVVQJLYAKWMAMR-UHFFFAOYSA-N 442.606 4.907 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1653340884 MPQTYYWCYIGRTO-OAQYLSRUSA-N 426.582 4.884 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](c2ccccc2)C(F)F)n(-c2cccc(F)c2)c1C 1653678455 DZRFAXFUCGFJFA-NRFANRHFSA-N 426.442 4.639 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CNC(C)(C)c2ccccc2C)cc1 1654544319 HJLFQXANBNZHAS-UHFFFAOYSA-N 430.552 4.746 30 10 IJEE C#CCN(C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CSC1 1655021592 VGIDTMKVHXHVCE-NRFANRHFSA-N 436.404 4.511 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 1655322665 BUUQJWSHOZXFSC-HVETUWLQSA-N 429.923 4.543 30 10 IJEE Cc1ccc(N(CC(C)C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)c(C)c1 1662937175 FGVVDIPLVNZFKB-UHFFFAOYSA-N 439.350 4.928 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 1668740997 BFULDSSHEFWEQL-HOTGVXAUSA-N 447.457 4.975 30 10 IJEE C=CCN(C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl)[C@@H](C)COC 1670367319 OUWVESVPAGSACR-ZDUSSCGKSA-N 430.858 4.908 30 10 IJEE N#Cc1cc(NC(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)ccc1OC(F)(F)F 1671271633 AAHFMYODJHNAOU-LJQANCHMSA-N 433.430 4.872 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c(Cl)c1 1673381712 RBJSTOPIOBYAMZ-UHFFFAOYSA-N 437.849 4.570 30 10 IJEE COCCN(C(=O)Nc1cc(OC)c(C#N)cc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 1673761887 FYYSXDUQZGOOQD-ZDUSSCGKSA-N 439.409 4.966 30 10 IJEE C#C[C@H](NC(=O)N1CCc2ccc(Br)c(F)c2C1)c1ccc(Cl)cc1F 1674036793 VUEGPEHKRVRJRU-KRWDZBQOSA-N 439.687 4.823 30 10 IJEE C#C[C@@H](NC(=O)N(CC)Cc1cc(C)c(OCc2ccccc2C)c(C)c1)[C@@H]1CCCO1 1680313830 BCJTVGIDSFPPNF-RPBOFIJWSA-N 434.580 4.903 30 10 IJEE C=CCC[C@H](NC(=O)N(C)CCNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1680632572 DLNISBWSRXNKJJ-KRWDZBQOSA-N 429.483 4.879 30 10 IJEE C=C(C)CCNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1681274420 BUSWAHJGGUXKKK-UGKGYDQZSA-N 440.515 4.715 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 1682682062 BCRBFKGDWGOJJS-PXNSSMCTSA-N 438.385 4.550 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccnc(Oc2ccccc2F)c1 1689859441 ZZSSMBLMTBDMPI-SFHVURJKSA-N 433.531 4.843 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC2CCCCC2)CC1 1689923164 MZAVTTVQFKLBQQ-UHFFFAOYSA-N 426.008 4.714 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCCC[C@H]1C 1689948482 XHDNDBYCGLVEBV-UXHICEINSA-N 444.023 4.796 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC[C@H]21 1690224653 REIDYZTXBMDSKN-IUODEOHRSA-N 438.167 4.605 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)N(C)C1CCCCC1 1690262859 RDOQEOIVDPWDFN-UHFFFAOYSA-N 434.588 4.620 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)c1nccs1 1690310086 SVSAZBMUXPDOGJ-QGZVFWFLSA-N 436.585 4.716 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1690411807 VDKYBECOFZWLRL-WOJBJXKFSA-N 428.552 4.571 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OC)cc1OC 1690430484 LJMCGMYZQHDDIE-HXUWFJFHSA-N 428.577 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1690439914 SJJSVQTVCZZDRP-AREMUKBSSA-N 438.616 4.917 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 1690442561 WAJIHQFAKUJOGC-FCEUIQTBSA-N 444.645 4.555 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 1690451236 BALNLPZCSRMXCX-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690465965 SJLXDCTYNLKNKN-QGZVFWFLSA-N 443.539 4.538 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1690475699 ZPMGWGIMNFHYON-UHFFFAOYSA-N 449.624 4.888 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC1(OCC)CCCC1)C1CC1 1690538722 OUSCKXWWHFKMHA-UHFFFAOYSA-N 434.382 4.540 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2C[C@@H]2C)C1 1690712030 LZRFWMNXAFBIPM-YQQAZPJKSA-N 437.371 4.601 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([C@H]2CCOC2)CC1 1690735854 KRCZQWQNDDJSRH-XZOQPEGZSA-N 440.657 4.992 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CSCCS1 1694240221 FLSVLQGAZCBDBW-SFTDATJTSA-N 441.670 4.799 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1697149068 GJQXXPKSGJNHFM-SWHJIRTISA-N 437.588 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C/C=C\c1ccccc1 1705506103 QWDCDTWZXLYOKU-SJCTUAPSSA-N 435.572 4.521 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN1C1CCCCC1 1705547132 UTWXVZJZSIGVNW-LJQANCHMSA-N 429.971 4.604 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCO[C@H]1C(C)C 1705619036 FCVHCVTYEVLTIX-QPPBQGQZSA-N 447.558 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705704429 UJMLWIOYAVNJMX-MDZRGWNJSA-N 438.469 4.844 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1705778014 XVLDEONMOPEOOU-HXUWFJFHSA-N 425.964 4.897 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCc1csc(CC)n1 1705861780 OMKWUHNXMKNMJL-OAQYLSRUSA-N 437.613 4.974 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)=C(Br)C1 1705888619 JNNOMMGKOVQKKF-UHFFFAOYSA-N 447.377 4.806 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(OC(C)(C)C)CC2)cc1 1705910670 JPTDGEBHXRKUBH-JOCHJYFZSA-N 440.588 4.527 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(C)CCCS2)C1 1705921535 UNOTYNXLDXYXNQ-HRAATJIYSA-N 436.984 4.805 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@](C)(O)C(C)C)cc1 1706472555 HUWFNHZYNIKXHO-RUZDIDTESA-N 439.604 4.517 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(SC)CCC1 1722420471 IKTLNCXKNIBLBH-UHFFFAOYSA-N 426.630 4.614 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)cc1F 1722509088 LOAGPSIZVVUASV-XMSQKQJNSA-N 444.551 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1Cn1cccn1 1722511920 QJLBVTVXMVRDMA-UHFFFAOYSA-N 447.974 4.689 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1722520516 VZUNJSPPEKIXIS-IAGOWNOFSA-N 447.986 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722589149 NAGNIJCZXODLEC-UHFFFAOYSA-N 437.632 4.948 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722601937 NIHJAPPPBGZKTF-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cscn1 1722607307 SIAUMGMHTWUQNI-UHFFFAOYSA-N 436.354 4.906 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1N(C)CCCC1(C)C 1722635278 OWRSVWYQGZFDNO-DYESRHJHSA-N 427.662 4.874 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)CN1CCCCC1)C1CC1 1722646287 LWRDNEVOXSQBGL-SFHVURJKSA-N 444.023 4.884 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOc1cccc(Cl)c1)C1CC1 1722646578 RZYARFDTCQGAOU-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)C 1722661086 SAIANYDQQFXKIF-UHFFFAOYSA-N 444.004 4.772 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722680608 SMKFXTPHLMCOGJ-QZTJIDSGSA-N 440.485 4.940 30 10 IJEE CS[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)C(C)(C)C 1731055593 BJNGJBJARKYYGB-AUSIDOKSSA-N 445.608 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](c1ccsc1)N(C)C 1740542423 VEZVVKPFXGJCGV-LIRRHRJNSA-N 431.968 4.560 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(C)(C)C)C1 1740592467 YESUBQOYMAZURB-FQEVSTJZSA-N 443.636 4.678 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1csc(Br)c1 1740784394 SFHJWHBSZAEUFB-UHFFFAOYSA-N 438.420 4.670 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC(C)C)c2)CC1 1740839321 GLBXHPVAZJDRQS-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](F)COC)CC1 1740842004 ISNCDMZHJRVFCO-MRXNPFEDSA-N 443.350 4.551 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](COCC)C1)c1ccccc1 1740853742 ILGNZEITRDNMSZ-GMAHTHKFSA-N 433.600 4.896 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccco1)c1ccccc1 1740854530 PVXJRYBBKZEDDH-RTWAWAEBSA-N 433.556 4.711 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1740857913 DWHUAMZCPYUFDW-RTWAWAEBSA-N 441.595 4.978 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)C1CCCCC1 1740933716 CSFUEKDSSJQQFG-DNRQZRRGSA-N 430.637 4.706 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1740946651 FLRLVSSQGQYZAY-PMACEKPBSA-N 429.609 4.738 30 10 IJEE CC(C)(C)CCCn1c(N2CCN(c3ccc(C#N)cc3F)CC2)nnc1C(C)(C)C 1741202383 DDGYKTDMPRNSIJ-UHFFFAOYSA-N 426.584 4.739 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@@H](F)C1 1741797712 AMKUZZMZQIXVFB-MGPQQGTHSA-N 438.320 4.723 30 10 IJEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CCCS1 1742009995 HXFYLAXCYJWLPZ-XLIONFOSSA-N 435.519 4.881 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1748760803 GPPCROICPQCLNR-LJQANCHMSA-N 434.918 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(CCOC)CCCCC1 1749061218 PLRHJVHVROJUIM-RUZDIDTESA-N 431.584 4.796 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC=C(C)C1 1749120087 ADUFFMLQUYEYFJ-QUCCMNQESA-N 443.389 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCOC[C@H]1OC 1749147042 WYCLOHONIVVELY-RBBKRZOGSA-N 426.605 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)N1CCC(C)CC1 1749152806 HUCYQSIXUOMICE-NRFANRHFSA-N 434.632 4.960 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1749198344 GCKSMYVLVDBHSE-OAQYLSRUSA-N 432.597 4.541 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCCCCC2)CC1 1749286083 DXUZAKDPLLZLGV-IBGZPJMESA-N 428.552 4.799 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCC(C)C)cc2)CC1 1749304862 JVYXOVSHVJNXNA-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1749371173 ZJAGDNATFBCFFU-PMERELPUSA-N 442.654 4.907 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1749404105 RONQJQDILQILCP-PKTZIBPZSA-N 436.648 4.711 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](OCC=C)C1 1749418187 ZRMJXXQEGUJNLA-GOSISDBHSA-N 431.378 4.764 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1C1CCCCC1 1749563278 ACLNJJAUUNZPTN-XMMPIXPASA-N 430.600 4.792 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(COC)CCCCC1 1749575396 QNRWIQVQZZMRDF-JOCHJYFZSA-N 438.572 4.566 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)c1ccccn1 1749592073 BGGVDBSUNJUVHU-UHFFFAOYSA-N 431.540 4.703 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)c1ncc(C)s1 1760110567 FCFZCKIHNAAXPM-JKSUJKDBSA-N 432.553 4.627 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1760141767 HFRVEKACHMZZPM-AREMUKBSSA-N 438.616 4.919 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)CN1CCCC1 1760291315 KFIAEYLDQRLNRZ-JIPXPUAJSA-N 433.644 4.967 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1760352248 STPDXANQFUOMRI-XXBNENTESA-N 440.588 4.714 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@@H]1C)c1ccccc1 1760362303 GQYUYHCEGFOZJM-ZBFHGGJFSA-N 426.362 4.984 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCCC2(C)C)CC1 1760385767 XRWHXSNGKLHMPS-QHCPKHFHSA-N 430.980 4.705 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1760403524 WESVWESYPKGJJS-FGZHOGPDSA-N 437.632 4.896 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760413043 WRFQXFNUEBVYSF-FQEVSTJZSA-N 439.604 4.526 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1760476614 AEVAZGZDLSVRDV-FQEVSTJZSA-N 428.024 4.798 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760506766 LWDLEBBSIFJIRL-QYZOEREBSA-N 432.012 4.793 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760508199 NHTPQDRVYPDEGA-NRFANRHFSA-N 433.394 4.843 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(Cc1cccs1)C(C)C 1771393860 BXWRQCHEJHXYLI-KRWDZBQOSA-N 441.626 4.957 30 10 IJEE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772749048 JCVFTEYLKPGPRI-UHFFFAOYSA-N 435.455 4.538 30 10 IJEE C[C@H](Oc1cccnc1NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1 1858840492 MMIPUARNEVZZDZ-AWEZNQCLSA-N 435.871 4.657 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Br)cc2F)cc1OC 1860728234 DDVULHRUVUYUOU-XBXARRHUSA-N 436.277 4.607 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861198747 VDHRCUCRDBHJAJ-ISKFKSNPSA-N 445.623 4.505 30 10 IJEE CCCCCCCCCCNC(=O)[C@](C)(CC)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861241736 FZMDHJVGIWPIML-VWLOTQADSA-N 433.637 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862417560 UNAWECJPHPCGLN-IBGZPJMESA-N 429.806 4.990 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)cc1 1862433785 KTMLQKSJFCLCRZ-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccccc2[N+](=O)[O-])ccc1F 1862506115 JLEXWFKHUHIMGK-NRFANRHFSA-N 438.455 4.953 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862564643 FIWQJZKHXHEKQK-QHCPKHFHSA-N 435.568 4.739 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@H]1c1cccc(O)c1)c1cccc(O)c1 1862589946 XFHINJLSWXTCJG-DEOSSOPVSA-N 443.499 4.699 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2)cc1 1862590409 IEAYFTJUURUDPP-IQMFZBJNSA-N 447.462 4.879 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1F 1862660050 FQCKSAHIIXWEKN-NRFANRHFSA-N 429.463 4.703 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862695719 IXAJMPCKKLNCBV-QHCPKHFHSA-N 436.552 4.776 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CC(C)C)cc1 1862745544 LGJFBMUDPMPXQG-NRFANRHFSA-N 438.480 4.618 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3F)C2=O)cc1 1862982499 QYTPSUGTHROZIT-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE COc1ccccc1CN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(C)c(C)c2)C1=O 1863254354 XZNPBCXCNGOVRH-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1863329852 MLYUVPAHRCNNDL-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)CCCOc1ccc(Cl)cc1Br 1866317362 WWOIMNOQDGIPOH-ZDUSSCGKSA-N 436.737 4.538 30 10 IJEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(C)cc1C 1870884933 XDHNYASRCVOLOP-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE CCc1ccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(=O)O)ccc3C2=O)cc1 1871430676 MPQFSVCYPLVCPE-QRVIBDJDSA-N 443.455 4.581 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OCc4ccccc4C#N)cc(C)c3C2=O)cc1 1871437392 VLDRWRWOIBNKSB-FMCGGJTJSA-N 425.440 4.849 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 1871861185 YGMXMNAEHGVXTE-QFIPXVFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1871891034 KITVIMPQWFVIIK-DYESRHJHSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1871996091 QKJYGEWOKSDMOF-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(OCC)cc1 1872070405 UPKQGIYHBXBQGQ-QFIPXVFZSA-N 448.560 4.517 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCOC)=C(c2cc(F)c(F)cc2F)C1=O 1873060688 IRPPJBDQMGUCPU-UHFFFAOYSA-N 440.506 4.561 30 10 IJEE COc1cc2[nH]c3c(N/N=C/c4c(OC)ccc5ccccc45)ncnc3c2cc1OC 1873795414 IDYOEEGJRQXMJP-KKMKTNMSSA-N 427.464 4.736 30 10 IJEE COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2ccccc2C#N)cc1 1873868838 TVGSIIFYNPQSNC-VWLOTQADSA-N 440.503 4.552 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccc(N(CC)CC)cc1 1874292503 HAZXMCPREFDRST-LFVJCYFKSA-N 439.585 4.706 30 10 IJEE CCOc1ccc(Cc2nnc(SCC)n2/N=C/c2ccc(OCC)c(OC)c2)cc1 1874303604 IORFDWQWDFYLOZ-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE C(=N/n1c(SCc2ccccc2)nnc1-c1cccs1)\c1ccc2c(c1)OCCO2 1874422277 DOJMEPIHYFUGFQ-OEAKJJBVSA-N 434.546 4.952 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)c(O)c1 1874463228 YHYLQJFPLAEJOM-GZIVZEMBSA-N 428.823 4.536 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cc(C)ccc1O 1874477201 OVKANNKUAYYQNA-LPYMAVHISA-N 425.514 4.717 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)cc(OC)c2OCC(=O)N(CC)CC)cc1 1874577721 BTIHHTWKXQIESD-JLHYYAGUSA-N 445.943 4.891 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCC(=O)Nc2nccs2)cc1F 1874582291 HOIJIBYVASBEPH-GORDUTHDSA-N 446.887 4.858 30 10 IJEE O=C(/C=C/c1cc(Br)cc(Br)c1OCCO)c1ccc(F)cc1 1874583742 DMQBNMPLGSITOY-ZZXKWVIFSA-N 444.094 4.618 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1OC 1874630166 ODNZIMQHSPGLIA-DHZHZOJOSA-N 442.508 4.721 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1 1874695065 JGNLMIRCTUQHRG-CSKARUKUSA-N 442.467 4.957 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2)cc1OC(=O)[C@@H]1CCCO1 1874709842 LEDDDEJRAMJZTL-YOCVDRLZSA-N 449.272 4.577 30 10 IJEE Cc1ccccc1-c1nc(C)c(C(=O)N2CCC(COc3ncccc3C#N)CC2)s1 1890602955 OTLHNXPBMPCHIX-UHFFFAOYSA-N 432.549 4.625 30 10 IJEE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1904977340 FRUMUAOVTOUJHR-DLBZAZTESA-N 439.940 4.513 30 10 IJEE Cc1cc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)ccc1C#N 1951525467 UOQOTQCSXGKNLQ-FQEVSTJZSA-N 440.499 4.964 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccc(Br)cc2C#N)C2CC2)C1 1962841981 QJEIZPPXDOERPY-IBGZPJMESA-N 434.378 4.685 30 10 IJEE C#C[C@H]1CCCCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)C1 1965305168 IZQQZINLDQHERE-FNZWTVRRSA-N 444.575 4.812 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(Br)cccc1Br 1976249243 FGHUYBKXGGBZIP-DZGCQCFKSA-N 446.183 4.518 30 10 IJEE C=CCC1(C(=O)Nc2cccc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 2060608776 LVPLUWMADWZFCL-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE COC(=O)c1nn(Cc2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079196411 GLUISZXRPNVFFZ-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE CCc1nn2c(Cl)c(C#N)cnc2c1-c1cc(Br)cc(C(F)(F)F)n1 2081536150 DXRWPCZZWPVOAX-UHFFFAOYSA-N 430.615 4.660 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNc2cc(Br)c(C#N)cc2F)CC1 2105978544 JMMYRALXCFNHQL-MQMHXKEQSA-N 426.330 4.955 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNc1cc(Br)cc(F)c1C#N 2107446327 YOSUOQCEHMQVHY-QWHCGFSZSA-N 426.330 4.765 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)C(C)(C)CC1 2118152891 IVODLQCWMAVLER-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1c1cc(Br)c(C#N)cc1F 2133668663 XHQFDALYAGAVOA-GFCCVEGCSA-N 426.330 4.684 30 10 IJEE N#Cc1ccc(N[C@@H]2COC3(CCN(C(=O)OCc4ccccc4)CC3)C2)c(Cl)c1 2162287642 HKEOWJAWAKVGFI-IBGZPJMESA-N 425.916 4.584 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1Nc1ccc(Br)cc1C#N 2162302929 RKVPSYHEWMUMIH-RBUKOAKNSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(C[C@@H](O)c1ccccc1Br)C2 2169738304 XSPSDRSZDIRTRK-RLFYNMQTSA-N 435.362 4.944 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCC2)c2cc(Br)cc(F)c2C#N)C1 2174767771 NKAMPXHYCMJUCG-UHFFFAOYSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCN2c2ccc(C#N)c(Br)c2F)C1 2174813015 RCGKKZVRAJIGKE-LDTOLXSISA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(c2cc(Br)c(C#N)cc2F)CC(F)(F)C1 2174814335 HAUGHHVKHWZQEJ-UHFFFAOYSA-N 448.283 4.542 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)cc1 2180051398 VLSYAPZTWNZTEI-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE Cc1cc(Br)c(C(=O)N(CCC#N)CC2CC2)cc1NC(=O)OC(C)(C)C 2181046984 MQQOSPPQZQGHJR-UHFFFAOYSA-N 436.350 4.870 30 10 IJEE CC[C@H](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(Br)cc1C#N 2181053733 OPOXKNJDBYUXNZ-AWEZNQCLSA-N 438.366 4.980 30 10 IJEE CC1(C)C[C@H](C(=O)Nc2ccc(Br)cc2C#N)CN(C(=O)OC(C)(C)C)C1 2181104659 BNEXKXTUYZBDFA-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2235727385 QJQHTJQAVJMEDY-MJGOQNOKSA-N 435.406 4.816 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237418263 JAUJTTMGBSZQMY-OALUTQOASA-N 437.422 4.913 30 10 IJEE CCN[C@@H](C#Cc1ccccc1F)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2255253836 NPXABEZUZVVUGE-WDJPJFJCSA-N 440.559 4.654 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@H](O)CC#CC2CCCC2)CCN(Cc2ccccc2)CC1 2261146501 RUUHQUXPHRZLIT-XMMPIXPASA-N 440.628 4.881 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1F 2267090447 DAZXLYKAEIFLCW-UHFFFAOYSA-N 448.344 4.661 30 10 IJEE C=CCN(CC(=O)c1cc(Br)cc(OC(F)(F)F)c1)C(=O)OC(C)(C)C 2273124782 QUXAYAYJLKCNMM-UHFFFAOYSA-N 438.240 4.954 30 10 IJEE C=CCCC1([C@@H](Cc2cc(F)ccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281048587 RRFYIMUVILGDIX-GOSISDBHSA-N 441.385 4.922 30 10 IJEE CN[C@H](c1c(F)cc(Br)c(F)c1Br)C(F)(F)C(F)(F)F 2288557097 GAYNDNOSPFESRK-MRVPVSSYSA-N 432.959 4.948 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2289685162 RIAATCDYQSMVQJ-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1coc(CNC(=O)OC(C)(C)C)c1 2296289871 WOZVFSJIQCSZMV-LJQANCHMSA-N 433.346 4.769 30 10 IJEE C=CCN1C(=O)C(=O)C(=C(O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 2297746217 MZRRHVLYVIRWBQ-QGZVFWFLSA-N 432.701 4.710 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 2306524084 BCCPYRDGOSRYIR-DQEYMECFSA-N 428.573 4.699 30 10 IJEE CCCN1C(=O)C(=Cc2cccc(O[C@@H](CC)C(=O)O)c2)SC1=Nc1nc(C)cs1 2314931017 KWTQYVMXDGUTBN-INIZCTEOSA-N 445.566 4.708 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN([C@H]3CCCC[C@H]3C)CO4)C2=O)cc1 2322145808 BVRCHTGORNZQCH-IERDGZPVSA-N 433.504 4.820 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2CCCOc2cccc(C)c2)cc1OCC 2322172147 HVBFUFMLUHNKEA-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)CC(C)C)cc(C)c3C2=O)c(OC)c1OC 2323766927 SYDKDVPSIQHFOL-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE COc1cccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)c1 2324383495 QQORVTQSPUSCAN-LJQANCHMSA-N 448.500 4.642 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2324405588 UXUOEXKJPGFEED-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)c1 2324807451 GPVOOANOXCCUSQ-HNNXBMFYSA-N 449.459 4.627 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(OCC)c1OC 2326272514 HKDUSBCEHDSFKD-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2cc(C)ccc2C)cc1OC 2326589356 NLMKPVWHLZZOLZ-UHFFFAOYSA-N 440.569 4.794 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccc(OCC)cc1 2328379623 MEWMEGQPPUYWRW-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE COc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1cccnc1 2328695503 BHFAGWLEKHISLE-UHFFFAOYSA-N 443.576 4.684 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2328754191 FLKGNNUIYVNYRW-UHFFFAOYSA-N 428.945 4.809 30 10 IJEE CCc1ccc(C(C)=CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)cc1 2329523600 RVNWVUJQHJKLFJ-AREMUKBSSA-N 437.543 4.890 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2cccs2)n1N=Cc1cccs1 2330422131 XBCPQNGXWCODSW-UHFFFAOYSA-N 447.655 4.615 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2cccs2)n1N=Cc1ccccc1 2330422396 FTCHVVWEDHRXOS-UHFFFAOYSA-N 441.626 4.553 30 10 IJEE OCCCSc1nnc(Cc2cccs2)n1N=Cc1c(Cl)cccc1Cl 2330422890 MNJNWILUHIILLC-UHFFFAOYSA-N 427.382 4.594 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 2330707395 KABYOELNIYEVDJ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(F)cc1F 2331385952 XHHISSGOXJDEAD-UHFFFAOYSA-N 431.468 4.937 30 10 IJEE CCCc1nnc(SCCO)n1N=Cc1c(OCc2ccccc2)ccc2ccccc12 2331665383 OLRHAGBEDBNRSM-UHFFFAOYSA-N 446.576 4.929 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2C(C)C)cc1 2331709599 OEMKYJRSOCTSOH-GOSISDBHSA-N 435.597 4.816 30 10 IJEE CC[C@H](N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338515713 GAWGKTHNOCRMPZ-AMDXRBSFSA-N 434.433 4.690 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(OC)ncc(Br)c1C 2370356877 KHHRDHYMFZJQBC-WBVHZDCISA-N 442.398 4.671 30 10 IJEE CCc1cccc[n+]1/C(C(=O)c1ccc(Cl)cc1Cl)=C(/S)NC[C@@H]1CCCO1 22690762 INVHFYAXSXNAIB-INIZCTEOSA-O 438.400 4.551 30 10 IJEE CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O 33851115 CQTZRWVVIICKOU-ARGSHCIWSA-N 425.554 4.728 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccc3c(c2)OCCO3)C1=O 36258482 HKARGIIKVMRQLQ-LDADJPATSA-N 443.908 4.655 30 10 IJEE C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 40975163 RQXFIFSIGRFXOD-GCNFEMQVSA-N 446.672 4.899 30 10 IJEE Cc1sc(/N=C/c2ccc(/C=N/c3sc(C)c(C)c3C(N)=O)cc2)c(C(N)=O)c1C 59466901 FMGWYWWMCXHHCI-ZZULHHKVSA-N 438.578 4.742 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccc(OC)c(Br)c1 62888116 VCZMBYFIHONGRQ-UHFFFAOYSA-N 433.302 4.513 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1cccnc1 170004490 SKOWYIWNKYTBKJ-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 170027861 QTGHJQQRTDVYHT-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(F)cc2)s1 170065503 BCFLSGHFINLCGT-IBGZPJMESA-N 440.471 4.817 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC(C)C)c1 170148331 UVDQTIBNDQJTLH-KOSHJBKYSA-N 449.547 4.712 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)c1 170223981 VMPVLMXVMPQTNF-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)cc1 170259242 BBWGDEOMENTIHU-QHCPKHFHSA-N 429.472 4.964 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2C)cc1 170270246 DBDYPKPFOOQEEJ-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2C)c1 170270570 RYHQMFUJNKRAIT-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)cc1 170291041 WBFFGDQOKYXEEG-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)c1 170296286 INEBWZNYVFJMMO-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(C)o2)c1 170305875 MIIJUVBZUJWQDZ-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 170364586 GUMMHLOYUDMGSH-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 170410089 OWEYQJCUHXLEBX-XMMPIXPASA-N 443.499 4.525 30 10 IJEE COc1ccc(OC)c(/C=N/Nc2nnc(SCc3ccc(C(C)(C)C)cc3)[nH]2)c1 253577335 WYBZIZQFRXUSDE-YDZHTSKRSA-N 425.558 4.858 30 10 IJEE N#C[C@@H](C(=O)c1sccc1I)c1ccc(Br)cc1 381238252 JXNZKYGBNBZNIQ-SNVBAGLBSA-N 432.080 4.605 30 10 IJEE C=CCCc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 410344074 JUTJYBSZKTZOMZ-UHFFFAOYSA-N 445.548 4.831 30 10 IJEE CCO[C@H]1C[C@]2(NC(=O)N(c3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2=O)C1(C)C 445988350 NHMJOZQBOKCEBT-WMZHIEFXSA-N 439.899 4.634 30 10 IJEE N#Cc1ccc(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 469766236 BCKHUDYIASAJKJ-QGZVFWFLSA-N 428.332 4.810 30 10 IJEE CSc1nc(O)c(C(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)cc1C#N 482705348 KZCDYZUXKASYTR-UHFFFAOYSA-N 427.917 4.596 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 505028294 BISLWRCDYPIJLG-UHFFFAOYSA-N 428.540 4.508 30 10 IJEE C=CCn1c(CCC2CCCCC2)nnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 508845763 PAZOWFXMWNVEEW-QFIPXVFZSA-N 439.648 4.596 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508859420 VRSZTQOMDRNBOR-IBGZPJMESA-N 436.560 4.550 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)Cc1ccccn1 508954629 AXWBCISCISUCIQ-UHFFFAOYSA-N 429.499 4.881 30 10 IJEE C=CCc1cc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc(OC)c1OC 518419193 RDHXAGSZTCAGEY-UHFFFAOYSA-N 449.576 4.971 30 10 IJEE C=CCN(CC(F)(F)F)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 519902292 MMXFRORWDAZMKS-UHFFFAOYSA-N 444.413 4.567 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)cc1 521250706 DACMWNNTFVNZGF-NRFANRHFSA-N 447.491 4.643 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526801444 RJVBTYMGMHOWCR-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE Cc1ccc(-c2nc(NC(=O)[C@H](C)n3cnc(C#N)n3)sc2-c2ccc(C)cc2)cc1 539503698 ZAGOCKRAZAIMFQ-INIZCTEOSA-N 428.521 4.757 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)o2)cc1 543896224 JSQGDMXFBWQMTD-UHFFFAOYSA-N 447.882 4.632 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 549288582 XWCNXEUJLYAFNM-SFTDATJTSA-N 440.588 4.572 30 10 IJEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1 555293080 VJTQCSYQNAANTL-UHFFFAOYSA-N 440.494 4.610 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccnc(OC(F)F)c2)cc1 557182004 FZDDPOOOAAMGLH-UHFFFAOYSA-N 425.460 4.777 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C2CCOCC2)CC1 559002978 UVJQFOIXHLDSIY-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=C(C)Cn1c(-c2cccc3ccccc23)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 567172134 AUDIVZPIBJNPHJ-NRFANRHFSA-N 429.568 4.513 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 582575064 RCRWSBIMRGTZDV-LJQANCHMSA-N 434.506 4.817 30 10 IJEE C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2sc3c(c2c1=O)CCCCC3 591772296 FVZFMKCMHDGNOG-UHFFFAOYSA-N 440.550 4.848 30 10 IJEE C=CCOCCNC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 679565926 QKRNHWYSCAVMJH-UHFFFAOYSA-N 427.570 4.674 30 10 IJEE N#Cc1ccc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(F)c1Br 715062554 OKDDCBQNBAUMJO-MOPGFXCFSA-N 428.349 4.951 30 10 IJEE CC(C)CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(Cl)cc1 730717231 HRUAWVKHGXLWAS-QGZVFWFLSA-N 445.976 4.527 30 10 IJEE Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732649006 YWTVBASLIHYWQV-LHBRDVBXSA-N 448.570 4.842 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(Cl)cc1 733201412 KKSFSXAXEJURGB-FQEVSTJZSA-N 439.968 4.940 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccc(Cl)cc1 733201651 LNIIXRUJLJBKDL-IBGZPJMESA-N 425.941 4.632 30 10 IJEE Cc1nc(COc2cccc(C(=O)OCc3cc(Cl)ccc3OCC#N)c2)cs1 735339352 IGLWALLBVZOSNO-UHFFFAOYSA-N 428.897 4.943 30 10 IJEE CC(C)Cn1nc(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccccc2c1=O 739594156 DXHWPKLXCPXOPL-UHFFFAOYSA-N 442.544 4.583 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Br)c(C)c2F)ccc1OC 788751454 LLBZTXNSGLEMSJ-AWEZNQCLSA-N 435.293 4.516 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(O)(c2ccccc2)CC1 800783881 OXCBZPOAYDRFIL-UHFFFAOYSA-N 428.458 4.638 30 10 IJEE CCC(=NNc1nc(SCC(=O)Nc2cc(Cl)ccc2C)n[nH]1)c1ccccc1 1084050483 QJHGXAVDPOSSBR-UHFFFAOYSA-N 428.949 4.724 30 10 IJEE O/N=C(/Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1ccc(Cl)cc1 1088713175 XJCDHIMINAEJNT-VYYCAZPPSA-N 449.742 4.910 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)cc1 1125086404 FADIEWUWUAMEHY-UHFFFAOYSA-N 447.000 4.888 30 10 IJEE COC[C@]1(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)CCN(C(=O)OC(C)(C)C)C1 1129225538 AMNBXMIWZSGVLZ-NPGVVQFXSA-N 447.601 4.518 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1ccc(Cl)cc1F 1129615867 IHFLMUYOQVFXGR-LJQANCHMSA-N 446.707 4.840 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 1131105076 AVPHBPYMBFWYJG-RHSMWYFYSA-N 433.936 4.591 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)cc2nc(O)[nH]c12 1135306737 XNJGRSGFJSXZIZ-UHFFFAOYSA-N 426.723 4.574 30 10 IJEE C=CC1(CC(=O)NC2(c3c(Cl)cccc3Cl)CC2)CN(C(=O)OC(C)(C)C)C1 1137474773 GGWGFTGYUXNVPD-UHFFFAOYSA-N 425.356 4.912 30 10 IJEE C=C(C)[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccc(F)c(F)c1 1138368391 HKUXXXYLZIWSPV-JOCHJYFZSA-N 428.866 4.875 30 10 IJEE Cc1nc(O)nc(S)c1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1148313099 IVNLSAMNYYHPSM-UHFFFAOYSA-N 446.410 4.714 30 10 IJEE CC[C@]1(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCCN1C(=O)OC(C)(C)C 1152343821 CUDKQDMSTOMOLB-JOCHJYFZSA-N 443.935 4.516 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc4c(OC)ccc(Br)c4[nH]3)cc21 1157640417 RKOUMYGIWYHKRL-UHFFFAOYSA-N 425.286 4.727 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 1158669114 ALCRKBVVELFPMX-QXNWPYRLSA-N 435.545 4.929 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(Oc3cccc(F)c3)CC2)cc1 1199058548 DXPAUWJOARUFKR-UHFFFAOYSA-N 437.515 4.715 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(CC)CCOc3ccc(Br)cc3)cc21 1209767113 CAHQUTWCXIUVJP-UHFFFAOYSA-N 443.345 4.918 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21)C(C)C 1220600586 OYCNIEYHDNTGPD-RJGXRXQPSA-N 441.616 4.555 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)N(C)Cc1ccccc1 1221966323 RJAPOHGMVPOMOT-KRWDZBQOSA-N 448.380 4.806 30 10 IJEE C[C@H](NC(=O)CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 1268927195 DVIYACOHLZUJDJ-SFHVURJKSA-N 436.515 4.704 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1286356939 WEYQNIBNYHCVNE-DEOSSOPVSA-N 449.643 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCSc1ccccc1 1286424448 DFPCFXHNJKSSQK-UHFFFAOYSA-N 435.984 4.639 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCC[C@H]1CC 1286434156 GGBRJXMGYGCKBX-HSZRJFAPSA-N 449.668 4.606 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)CN1CCCC1 1286438387 YUXYUVWAGJDCQR-IBGZPJMESA-N 448.640 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](OCC(C)C)C1 1286551875 JNNPCEGDUARKEH-BVSLBCMMSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1286559951 ZWDJCBAOVYBPHT-JUXOCIIHSA-N 445.007 4.507 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1286644165 LAKBAHBUVCVYQI-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOCCOC)CC1 1286654415 DYWPWZDNTXQUSQ-UHFFFAOYSA-N 439.387 4.707 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286669874 WDSYKAABMQDCJJ-UHFFFAOYSA-N 447.583 4.565 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCN(C(C)=O)C1 1286716465 GXDXBZBMLRAAPR-INIZCTEOSA-N 444.004 4.694 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1286739769 NVTNITUMHYQTLQ-OAQYLSRUSA-N 437.632 4.831 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1CCC(OC)CC1 1286742494 QCBFEPQFYBZKTH-UHFFFAOYSA-N 430.556 4.543 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCCC[C@@H]1C 1286755567 DKDKACVRTLTKOP-NRFANRHFSA-N 430.600 4.936 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1cccc(C(F)F)c1 1286763951 ACJUWOFSOOJMAV-IBGZPJMESA-N 428.483 4.596 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CN(C)CCCC)CC1 1286770889 YMVMERKNKCEFKD-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)c2cccs2)C1 1286806503 CTSYYNWEKWBALL-HXUWFJFHSA-N 440.588 4.829 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1287739562 ACEKTQUIRGNCMB-RDGATRHJSA-N 426.653 4.509 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCc3cc(Br)ccc32)cc1OC 1288391713 DGAMBFPMWUYCAO-PHRJPNOBSA-N 428.326 4.839 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)CC1 1291142294 BFXIPAPJRHJEBL-VQTJNVASSA-N 432.572 4.728 30 10 IJEE C=CC1(CC(=O)Nc2cc(F)ccc2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1291767548 WJVPGBDLRXQDPA-UHFFFAOYSA-N 449.523 4.924 30 10 IJEE C#C[C@H](NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)c1ccc(Cl)cc1 1298925424 GGHUKTHUCXKFLR-IBGZPJMESA-N 429.278 4.887 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1300349213 QZTHUPUHUOIXNH-UHFFFAOYSA-N 434.515 4.888 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)[C@@H](C)CC 1300512010 FNZNDVWEDONFBH-QMHKHESXSA-N 441.000 4.683 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCC(F)(F)C1 1300513223 WJSSFZZPQRTUCH-MOPGFXCFSA-N 444.501 4.846 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCCC(C)(C)C 1300571710 KGJIXGODCLLSRQ-UHFFFAOYSA-N 427.390 4.997 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)c1nccs1 1300790756 WCUVRFZVVVRCTQ-LHSJRXKWSA-N 429.952 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCCOc1ccccc1C 1300880420 ILSBSPPFRINJSO-ISKFKSNPSA-N 447.583 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCC1(C)C 1300914071 BBNBLRMFPCSVGG-NRFANRHFSA-N 437.636 4.681 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(C)(C)C)C1 1300950964 TXXJJVTYRGJFOR-IBGZPJMESA-N 431.625 4.841 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@@H]1C 1300979551 CIZWSCDOQCPWKJ-KBPBESRZSA-N 425.396 4.597 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1301017278 IEVSOGGKQBWVES-INIZCTEOSA-N 449.386 4.811 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCC(C)C)CC1 1301120585 WPWZHZPNWZVFED-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1301231367 IULWAMQIIPMGNJ-NRFANRHFSA-N 437.632 4.696 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CC1CCN(C2CC2)CC1 1301348934 CWLQWKZZAWPTBV-LJQANCHMSA-N 425.596 4.998 30 10 IJEE CC(C)(C)CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(C)(C)C 1307648942 CUIRGTJGKSILJK-IBGZPJMESA-N 442.648 4.750 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 1312371533 UVDMWLRZKPRBKQ-AEFFLSMTSA-N 436.394 4.605 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H](C)CC#N 1315690630 GYMIBWBULFGFBI-KCZVDYSFSA-N 439.604 4.842 30 10 IJEE CC(C)(CC(=O)N(Cc1ccco1)c1ccccc1C#N)NC(=O)OCc1ccccc1 1349929132 HRZBHGFUNYMVAB-UHFFFAOYSA-N 431.492 4.780 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)cc1 1356328181 IECRJQGJLJDRML-INIZCTEOSA-N 447.457 4.786 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 1357176221 OXARTQQNLBCWDZ-UHFFFAOYSA-N 438.543 4.662 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCSC1 1359002378 XDUNWUSDRAKIFK-SFHVURJKSA-N 437.638 4.980 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](CCC)OC 1359066429 AKUKZMSLFULRHB-YIGJPRQDSA-N 426.630 4.939 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCc2nccn2C1 1359116553 PUOXSVONNSDOQZ-HXUWFJFHSA-N 436.629 4.740 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1359125632 MNDXRGFCZWATFV-MUGJNUQGSA-N 429.609 4.941 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1359130625 QCWFYAKFBPAYSN-QHCPKHFHSA-N 432.996 4.833 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCC(C)CC2)CC1 1359182130 UGJINNOYOMGHRH-UHFFFAOYSA-N 444.023 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359182796 TXPJWHRCCQYALJ-FPOVZHCZSA-N 439.604 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C1 1359187626 RPUVLRJKTSGIFP-SFHVURJKSA-N 434.588 4.684 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)c1ccccc1 1359192592 JQHUYLDIXXNCLA-MZYLBHOOSA-N 435.616 4.889 30 10 IJEE C=CCCCCn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359206014 RBZROCDBAJTHIF-FXAWDEMLSA-N 447.505 4.793 30 10 IJEE C=CCCCn1c(CC)nnc1N1C[C@@H](C)C[C@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1359216892 HEEMZVUFNDOVCS-RCDICMHDSA-N 447.942 4.903 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359340013 YDJSJOQBUULGGV-UHFFFAOYSA-N 428.993 4.556 30 10 IJEE C=CCSCCn1c(N(C)C[C@H]2CCCCO2)nnc1C1(c2ccccc2)CCC1 1359346695 SCYZBTVHOJSEJL-OAQYLSRUSA-N 426.630 4.673 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 1440716142 ZDYPMNVHNQWNKG-RBUKOAKNSA-N 446.979 4.529 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CCCc3ccccc3)cc2)cc1 1442964747 AYPXIKCXHSLUBN-UHFFFAOYSA-N 434.561 4.579 30 10 IJEE N#Cc1cc(Cl)c(C(=O)N2CCc3cc(Br)cc(F)c3C2)c(Cl)c1 1446851846 AFMJEUDAZDPYEU-UHFFFAOYSA-N 428.088 4.965 30 10 IJEE CCc1ccc([C@H]2CCCCCN2C(=O)COc2ccc(C#N)c(Br)c2)o1 1456595122 GWDCGIFDFCSSCA-LJQANCHMSA-N 431.330 4.999 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](Nc3ccccc3)C2)n(-c2cccc(F)c2)c1C 1459690861 AMHXBHSPKKBEID-JOCHJYFZSA-N 445.542 4.620 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2CC[C@@H]1Cc1ccccc1 1463317678 CHBXWYOPEFFGBK-JOCHJYFZSA-N 425.532 4.799 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)sc2ccc(C#N)cc12 1464011935 BLWUWIVZUXELHA-QGZVFWFLSA-N 430.526 4.801 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cccnc2)c1 1464255978 IBCFKZSNQAJSHB-IBGZPJMESA-N 431.920 4.635 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(Br)cc(Br)c2O)c1 1464445673 XMBZNKLGINFQHX-UHFFFAOYSA-N 427.092 4.734 30 10 IJEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N 1465626613 ASNDWDMGYOHVCH-GVDBMIGSSA-N 432.590 4.990 30 10 IJEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 1465762868 DYYUSBNRCBLFBB-MZNJEOGPSA-N 437.471 4.687 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Br)c(C(=O)OC)c1C 1466446997 AJOUMIGTVLLLJN-UHFFFAOYSA-N 431.330 4.807 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1470490669 NWTDHSSRLSQORS-ATIYNZHBSA-N 441.616 4.997 30 10 IJEE C=CCn1c(SCC(=O)N(CC)C2CCCCC2)nc2sc3c(c2c1=O)CCCC3 1472931011 DHCALHXKLFCSTM-UHFFFAOYSA-N 445.654 4.796 30 10 IJEE C=C[C@H](CO)NC(=O)Nc1ccc(Oc2ccc(C)cc2Br)c(Cl)c1 1476133655 MYZLPAKQAHYXSO-GFCCVEGCSA-N 425.710 4.872 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@](C)(C#N)C1)OC 1494973244 HYWGGZLYHGLXFX-QRJOEMBSSA-N 447.587 4.526 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1503151371 GDARHKSFCJNOLO-WOJBJXKFSA-N 443.542 4.895 30 10 IJEE C#CCCCn1c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nnc1C(C)(C)C 1507599282 NBFHAJYMEGVWAM-CQSZACIVSA-N 425.524 4.848 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nc(C)c(C)s1 1507764410 MADTWRZZGSTIIK-WAIKUNEKSA-N 439.560 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1C[C@@H](OC)[C@H](C)CC 1507772560 RLRCHIOBKNFIPC-DRMXPCRNSA-N 442.629 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1507803823 IYQHDMIKKBVEKJ-ZOCZFRKYSA-N 445.405 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CCC1 1507818114 KWBUGVYTDOSTTN-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(C)(F)F)c2)CC1 1507888140 CRNMMUBTBQZHMH-UHFFFAOYSA-N 429.540 4.950 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1507899011 ZAECPGNULZEDAG-CTNGQTDRSA-N 444.526 4.930 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1ncc(Cl)n1C 1507925367 AJCNYCDPMXEORK-UHFFFAOYSA-N 435.963 4.873 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC=C(COC)CC1 1507959470 PSYAUIXJARRVHB-UHFFFAOYSA-N 442.629 4.651 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](c1cccnc1)C(C)C 1507978000 CTJMRPMIXYJOSM-HSZRJFAPSA-N 427.556 4.588 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCCC1 1508006702 KHFWYMFZFGZKGA-UHFFFAOYSA-N 437.613 4.988 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1508060566 ABEWNDIYFOBPEP-NLFFAJNJSA-N 441.620 4.905 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 1520812275 GMIZNZRBEIIHEV-LJQANCHMSA-N 432.442 4.916 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)c1ccccc1 1522560327 JCLLZIRABSCWEI-OAQYLSRUSA-N 426.582 4.823 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 1523516831 IMICOAYAUPVPFB-UHFFFAOYSA-N 429.358 4.962 30 10 IJEE C#C[C@@H](NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1)c1ccc(Cl)cc1 1525038403 JSRSQKBEKYEARI-QGZVFWFLSA-N 425.834 4.713 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1525739090 VNFVZRHAPCJKHB-FTSHXLFYSA-N 445.625 4.856 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ccccc1 1525781715 XAKPFMDTABQDQZ-BQSZEUOTSA-N 439.581 4.578 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC2(Cc3cccc(Cl)c3)CC2)nnc1-c1ccco1 1525839354 CCRXDWHKVKEIFI-UHFFFAOYSA-N 442.972 4.751 30 10 IJEE CN(C(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)c1ccc(C#N)c(Cl)c1 1531508950 GCZDXABTKTZICD-UHFFFAOYSA-N 429.307 4.886 30 10 IJEE CCOC(=O)CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(C)cc1 1538076751 FHFSZZZMVIWYPA-UHFFFAOYSA-N 428.488 4.656 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)c(F)c1 1538982024 AVTYEQQKJYMDJX-HZPDHXFCSA-N 438.572 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)N1CCC(C)CC1 1538983429 RTYCRZJGOCBLNJ-HSALFYBXSA-N 439.673 4.710 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1539578846 CLISXHYZUZDZOE-ZCNNSNEGSA-N 445.405 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CC)Cc1c(F)cccc1F 1539628523 QXUVDGYZEKWCIC-VGSWGCGISA-N 439.510 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(F)F)c1 1539676638 RTNWVSFDISZBRZ-UHFFFAOYSA-N 445.539 4.658 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1539677428 CBLHPFXXOLDFRM-ISKFKSNPSA-N 428.552 4.604 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H]1CCCOC1 1540012768 BLBIREXCTGJZDB-FQEVSTJZSA-N 426.605 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(OC)c(F)c1 1540142440 KZEVHDURZVPRLF-UHFFFAOYSA-N 437.544 4.734 30 10 IJEE C#CCOc1cccc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)c1 1543417135 YEQDAEMEPHXYOS-UHFFFAOYSA-N 431.439 4.634 30 10 IJEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C1 1543764387 BPEDKHUDNIZVNJ-HMFYCAOWSA-N 434.613 4.806 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)cc3F)cc2C1=O 1543955635 KGRLAIFUHBJTFZ-UHFFFAOYSA-N 448.881 4.858 30 10 IJEE COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)[C@H](C)C#N)c1OC 1544668908 AOQDKGKLLDRQPW-WECAROLCSA-N 427.504 4.723 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1544937590 YXJKEIFHHBQSRW-FQEVSTJZSA-N 441.528 4.584 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 1545207606 HJNYWNGBIXPTNG-GBXCKJPGSA-N 432.992 4.919 30 10 IJEE C=CCn1c(S[C@H]2CCCNC2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1559316181 WTFPVYISSCKSJQ-RDJZCZTQSA-N 430.643 4.714 30 10 IJEE C=CCn1c(SCC(=O)c2ccns2)nc2scc(-c3ccccc3)c2c1=O 1559330946 WGZARWWLAAQPEC-UHFFFAOYSA-N 425.560 4.743 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(C)CCc2cccc(Br)c2)ccc1Cl 1559868970 FWPXNSDPQRQQLE-UHFFFAOYSA-N 448.792 4.832 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CC3(CCOCC3)[C@H]2c2ccccc2)ccc1Cl 1559908705 AXTCCXQIGRUKGL-XMMPIXPASA-N 437.971 4.749 30 10 IJEE N#C[C@@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1Cc1ccccc1 1560724333 GUYAHEUNGREUMC-LJQANCHMSA-N 427.392 4.934 30 10 IJEE Cc1cc(C(F)(F)F)cc(C)c1NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1563253833 GPTRKHBLUAVWLP-UHFFFAOYSA-N 427.430 4.916 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)C 1563518431 STVCQZYBRLWTJR-OAQYLSRUSA-N 427.639 4.623 30 10 IJEE CC(C)CCOc1ccccc1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1564555856 CINVQENALFFRFV-UHFFFAOYSA-N 440.975 4.668 30 10 IJEE C#CCN(C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1564772730 OJUDRHLSKBGFFZ-GMAHTHKFSA-N 439.600 4.889 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 1564913769 TXFHKFWENRPKPO-QFIPXVFZSA-N 431.502 4.720 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 1565032200 OLHJASXYIQCAHD-WOJBJXKFSA-N 436.552 4.874 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Nc2ccc(OC)cc2OC)cc1 1568890996 ZXRJNMZBMDYWDH-UHFFFAOYSA-N 436.508 4.751 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)C1 1583960725 IZBUPPVLVJWSDW-HNNXBMFYSA-N 436.936 4.708 30 10 IJEE CC(C)c1ccc(C[C@@H]2CCN(C(=O)COc3cccc(Br)c3C#N)C2)cc1 1584339070 HKIYRZCVXKFCFK-SFHVURJKSA-N 441.369 4.914 30 10 IJEE C=CCc1cc(C(=O)N(Cc2cc(OC)ccc2OC)C(C)(C)C)cc(OC)c1OC 1587094432 UQDSFWOLRUYCSV-UHFFFAOYSA-N 427.541 4.890 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCCN1CCCCC1 1587614974 PYPWRIPGBLRMIQ-OAQYLSRUSA-N 432.616 4.551 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(=C)Br 1587677117 CPMBXUFOWVNLKP-CYBMUJFWSA-N 425.783 4.590 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]2CCC[C@@H]21 1587798388 JBVJZDIAAIAWOC-ACRUOGEOSA-N 441.620 4.923 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1CCCCO1 1588283687 BVCGIIUVIPJNEX-HNNXBMFYSA-N 437.407 4.578 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC(C)C)C(C)C 1589381542 FHHRUXHERYQLHX-UHFFFAOYSA-N 443.393 4.910 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(C)C)CC1 1589449346 BKMFOBJGUPTDLL-UHFFFAOYSA-N 449.393 4.647 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCCCC2)CC1 1594035952 OZWYZTTYDDFGJB-UHFFFAOYSA-N 431.531 4.579 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2CCN(CC)CCC(F)(F)F)CC1 1594102434 MOHCBSUZFRUFBJ-UHFFFAOYSA-N 435.538 4.608 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1594236212 AGVAAEMVFWSZKS-LJQANCHMSA-N 446.979 4.641 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1594590813 BBBOKIBXLIJSPN-UHFFFAOYSA-N 434.588 4.910 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)C/C(C)=C/c1ccccc1 1594608550 OMAZIEVYOWNZOK-KNTRCKAVSA-N 433.556 4.902 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC(F)(F)F)C1CC1 1595070779 MHGUZSMUCDSOFG-INIZCTEOSA-N 443.514 4.847 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@@H]1CCO[C@@H](C)C1 1595190492 COTBDTIZXULARZ-ZWKOTPCHSA-N 430.980 4.991 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)C(C)C 1595191755 XIBCVQVSPDFMEI-NRFANRHFSA-N 433.394 4.601 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1c(C)noc1C 1595239547 MNXWFKHLBJOYHR-XXBNENTESA-N 449.599 4.816 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCC(C)CC1 1595244012 OISVUQCGJPRUPG-HXUWFJFHSA-N 437.588 4.795 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CC[C@@H](F)C1 1597261342 ACPAMDVPCRCJCY-VQTJNVASSA-N 439.579 4.924 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](OC)C(C)(C)C 1613822690 DRBRBWIORRFARF-BWKNWUBXSA-N 439.604 4.611 30 10 IJEE C=CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1ccc(OC)cc1 1615223777 WZNQJEVHZUJBDM-UHFFFAOYSA-N 432.568 4.805 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1)C(C)C 1615895562 TVYGYJXNXUVDBQ-IBGZPJMESA-N 439.825 4.949 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1CN1CCCCCC1 1617071588 BHVQLYQMPYWVJZ-UHFFFAOYSA-N 444.579 4.743 30 10 IJEE C#CC[C@]1(C(=O)Nc2ncc(-c3cccc(F)c3)s2)CCCN1C(=O)OC(C)(C)C 1617237664 HEFBMEUFSANMRF-JOCHJYFZSA-N 429.517 4.681 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(CCc2ccccc2)c2ccccc2)cc1Br 1621696618 BQQVMABLGRNWLP-UHFFFAOYSA-N 441.350 4.759 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1ccc(F)c(Cl)c1 1624443759 DYFOYHHDRPDSPT-HSZRJFAPSA-N 429.923 4.625 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C 1632409908 YQOZVEUGHGBUKU-YADHBBJMSA-N 440.588 4.607 30 10 IJEE C=C[C@](C)(O)C(=O)N(C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 1634050684 NUVOKNIHFWRNFL-IBGZPJMESA-N 442.712 4.929 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)C(C)(C)C 1636944714 YTYGCQMBLVJRBT-XMMPIXPASA-N 446.572 4.932 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C(C)C)c(C(=O)OCC)s1 1641398507 TWKMLLMTXJQDLV-CQSZACIVSA-N 439.578 4.631 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 1644457080 OYTPMTSAVBBBNS-KRWDZBQOSA-N 432.549 4.706 30 10 IJEE Cc1ccc(C)c(C2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)c1 1648399132 AEWKLZZVCMDNQV-UHFFFAOYSA-N 427.342 4.723 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)cc1F 1648417390 JTEGXNPTEUPLBJ-HNNXBMFYSA-N 449.748 4.583 30 10 IJEE CCOC(=O)Nc1ccc(NCc2nc(N(C)C)n(-c3ccccc3)c2Cl)cc1C#N 1658821805 CROSUKUBRURJLK-UHFFFAOYSA-N 438.919 4.644 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 1666668248 CMBNXSCZTMTRFZ-REWPJTCUSA-N 430.556 4.839 30 10 IJEE C#CC[C@@H](COC)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1668151230 VAUMJWIHYNZMOO-AWEZNQCLSA-N 442.384 4.613 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 1679423149 QADPTMZGMJLSGH-TZIWHRDSSA-N 449.979 4.989 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 1680021720 UVNRCRXJIZWSHP-AWEZNQCLSA-N 447.988 4.819 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)CC1 1680111081 GSHFVYLDHNSIAG-UHFFFAOYSA-N 446.979 4.756 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1 1683677028 ZXXMQVPUAQFGNY-RDPSFJRHSA-N 445.991 4.837 30 10 IJEE C=CC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CC1 1683756887 BQGAWMROIAWAMD-NHCUHLMSSA-N 431.552 4.526 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)CCCC1 1687039357 DCWDCATURPKTCD-HSZRJFAPSA-N 425.617 4.826 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1689878384 GUIDBPAWVCCXIE-UZLBHIALSA-N 443.389 4.899 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cccs1 1689929777 DPIOVQAPJNYLHG-UHFFFAOYSA-N 443.617 4.504 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC[C@](C)(C#N)C1 1689935613 MQBQYFDTBRRPLV-XMMPIXPASA-N 439.991 4.795 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)Oc1cccc(F)c1 1689950751 ABSWVSBWUORHTC-KRWDZBQOSA-N 438.572 4.952 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnn(CC)c1 1690065218 PKKZJSCFSDSHSK-UHFFFAOYSA-N 434.544 4.537 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C(F)(F)F 1690090162 XZWHPMJGZSHRMZ-SFHVURJKSA-N 438.469 4.887 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=C)Br 1690193944 WHPWMRCVOLMUOU-FOIQADDNSA-N 449.780 4.972 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1690251809 ZNZGMVTUMYVWEX-NFBKMPQASA-N 439.560 4.535 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(c3cc(C)ccc3C)CC2)nnc1C(C)(C)C 1690255602 SZVQHWZPZOFLGQ-JTHBVZDNSA-N 437.632 4.500 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H](C)c1nc(C)cs1 1690602134 JBHUZOBUBNGPIO-GOSISDBHSA-N 445.596 4.539 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N(CCO)Cc1ccc(Br)s1 1690633418 YFMYFIVGVJSEFJ-UHFFFAOYSA-N 447.402 4.516 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)S[C@H](C)C1 1690740429 VKYCZWVCRUHPIW-CALCHBBNSA-N 427.643 4.686 30 10 IJEE C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cccs1)N1CCCCC1 1692675798 BXICHJIBTPPDEJ-IBGZPJMESA-N 434.613 4.779 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1705501428 ZCMKHUKZBVRLTD-HXUWFJFHSA-N 431.584 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@@H](C)C1 1705695607 COZHIWOTFHMFRS-URFJDIBFSA-N 440.588 4.644 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)c1cc(OC)cc(OC)c1 1705697932 YXRWXTRRUQDOQR-JTSKRJEESA-N 438.528 4.613 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCCN1C1CC1 1705848604 LVWBUVVXQYFXCX-QFIPXVFZSA-N 437.632 4.928 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)NCCC)C1CC1 1705851718 PDWUWEPYKXTEOZ-UHFFFAOYSA-N 444.004 4.884 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCc1ncc(CC)s1 1705862325 GLBGZYWRNGXSHY-UHFFFAOYSA-N 436.560 4.867 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)C1 1705926366 CBMQJXRZAXMVBC-XJUOHMSHSA-N 443.680 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCC(C)CC1 1722276764 GCBJGCQWUUNLAL-OAQYLSRUSA-N 444.627 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(F)cc(OC)c1 1722278350 CVQBOZAIVRAFSZ-HZPDHXFCSA-N 438.572 4.785 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1722336117 SEPSQMVIGDMMKE-FQEVSTJZSA-N 436.581 4.703 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2C)n1CCNc1ncc(Cl)cc1Cl 1722408578 LRDMPXCDEYOPNJ-UHFFFAOYSA-N 429.355 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](C(C)C)N1CCCC1 1722470611 JEICHZDFBUJVFR-ZJSXRUAMSA-N 426.008 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CCCN1C[C@H](C)C[C@@H](C)C1 1722513623 CJLMNCKCXNNZIV-NHCUHLMSSA-N 427.612 4.778 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722515133 OQAZYMPALHXNJD-FQEVSTJZSA-N 431.625 4.813 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1722524551 AKEYGEMSOLYTFL-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@H](F)c1ccc(Br)cc1 1722525882 COABTMTVHPJGGI-QGZVFWFLSA-N 445.340 4.611 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1722568233 DPJYTFFREOPJCK-XMMPIXPASA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2OCC)CC1 1722587155 DXRHPILAMXHBHS-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1722596265 GJQJNNWHYNKZAL-QFIPXVFZSA-N 437.632 4.674 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 1722597885 XEBYHZURDXNMMH-XMMPIXPASA-N 435.616 4.648 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C#N)c1 1722609999 JVDBDCLYSJKACH-UHFFFAOYSA-N 425.334 4.510 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)C1 1722613156 UZDVSZOUZYAFDB-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1722642163 SEIYNQAKDWSJEG-LJQANCHMSA-N 445.633 4.732 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2nccs2)CCCC1 1727358823 GZSQPKDHZHKCCF-UHFFFAOYSA-N 436.585 4.792 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1740558470 FKZPJOJFTVVZGM-YROCYRMSSA-N 445.032 4.887 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1cccs1 1740560315 GFEQAKZMCAGUNR-QGZVFWFLSA-N 428.989 4.819 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@](C)(OC)CC1 1740582068 IKPWPRCAOCBYPE-QFIPXVFZSA-N 445.405 4.825 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCC(C)CC1 1740599606 AUPHSLCNWYYNRJ-UHFFFAOYSA-N 444.627 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1OCC[C@H]1C 1740769737 SGMROKCYOUSVMW-ZIAGYGMSSA-N 425.396 4.597 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740789394 DGGUWJNIRKMASU-HDICACEKSA-N 441.526 4.814 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1740808915 CIDIMCPEOWXEGP-NRFANRHFSA-N 436.991 4.502 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1740846251 SGAPJBZVBVWUHJ-QGZVFWFLSA-N 438.542 4.586 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1740860831 RSIIFZAPXMUZLT-FXAWDEMLSA-N 430.980 4.969 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N2CCCC2)nc1 1740892029 PMKZQXBVAFQUDX-NRFANRHFSA-N 446.599 4.701 30 10 IJEE C=CCN(C)c1nnc(CCc2ccccc2)n1Cc1ccc(N2CCCCCC2)nc1 1740903531 YJWKUTLIKYXCJJ-UHFFFAOYSA-N 430.600 4.509 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](c2ccnn2C)C1 1740999864 PZGAUDNTARWIDV-KRWDZBQOSA-N 443.020 4.635 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccsc2)CC1 1743123605 GQVGXWAZSFCLJZ-IBGZPJMESA-N 434.613 4.635 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccc(C)s1 1748655168 SFKFVIKTGHIPEE-KRWDZBQOSA-N 432.549 4.993 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@](C)(C#N)C1 1748737045 VNPOOTGHVHDWLL-DEOSSOPVSA-N 430.581 4.921 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CCC(F)(F)CC1 1748863884 JWDWKCUAIGLOKQ-SFHVURJKSA-N 444.501 4.846 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1Cc1ccc(-c2ccsc2)nc1 1748879899 GQBHRKHGUPSDIC-UHFFFAOYSA-N 437.572 4.888 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCSCC(C)C 1749054743 XXHRNWFYYGRGMZ-WZONZLPQSA-N 430.593 4.939 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccccc1 1749129286 BZRSNPXTAIANBV-NZQKXSOJSA-N 426.605 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CCN(CCC)C(=O)OC(C)(C)C 1749146340 CXKYDJOJBCVDTF-UHFFFAOYSA-N 431.581 4.896 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1749195734 ZGTAXDQZWWIBRE-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1749345410 HEBNOKNCFDCHBN-MHECFPHRSA-N 442.677 4.547 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(N(C)C)CCCC2)CC1 1749347360 OLPNVNDYIAFUND-UHFFFAOYSA-N 444.023 4.787 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOCC(F)(F)C(F)F 1749473322 FEEWFNHLYRJRPK-ZDUSSCGKSA-N 446.514 4.671 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1CCNc1ncc(Cl)cc1Cl)C1CC1 1749525044 FPKUJTRBYAHZSE-UHFFFAOYSA-N 435.403 4.980 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CC1([S@@](C)=O)CCC1 1749547651 VNPZSAPXMFEXNW-SSEXGKCCSA-N 430.593 4.569 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)C(C)C 1749592691 UPCYKRHHRSHHIX-QFIPXVFZSA-N 449.020 4.859 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](Cc1ccccc1)OC 1760103625 JJHRQAAVPPHDPL-CNNODRBYSA-N 448.636 4.847 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760158628 QIOILZAYBKFGOY-HSZRJFAPSA-N 446.599 4.542 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CCN(CC(F)(F)F)CC1 1760167230 HAKCVTIXBWOJRC-UHFFFAOYSA-N 447.549 4.586 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC1(CCOCC)CCC1 1760214184 FAUMIJCEOWAPPU-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)C/C(C)=C/c1ccccc1 1760317939 BGJRIQJTFVRQOO-VEDSQSMFSA-N 429.568 4.861 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCSC[C@H]1C 1760328490 WRGQRVIQURVDJK-DXIQSLLYSA-N 444.670 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCC(C)CC1 1760331092 PMRJXGMWIKGVPQ-KRWDZBQOSA-N 449.441 4.559 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1760417686 GZJSQBSONOYLHK-OALUTQOASA-N 434.506 4.921 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCCc1nc2c(s1)CCCC2 1760480225 OHEPDFKNRSNSOZ-UHFFFAOYSA-N 446.624 4.873 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1CCC(C)C 1760497970 ABAGJENUTSMAAU-UHFFFAOYSA-N 446.393 4.920 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccs1 1760533144 MSHDXFXHBXGQMB-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@H](C)SC)C1 1760539881 XKCMOMMNTDWUNC-SOLBZPMBSA-N 432.659 4.664 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2c(C)c3c(C)c(Cl)c(C)cc3oc2=O)nc1C 1859737266 VEJCQULBLJGYHX-UHFFFAOYSA-N 446.912 4.732 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1c(C)ccc2ccccc12 1860990257 GOBHKFLNULNBDK-LADGPHEKSA-N 438.612 4.981 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(F)cc2F)cc1 1862394383 FPXOSRKHIUQOFN-QFIPXVFZSA-N 443.490 4.922 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862416553 HHWUBKROTIGDKH-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(F)cc1F)c1c(F)cc(F)cc1F 1862464250 RXCDVGQNJMKUFU-IBGZPJMESA-N 437.364 4.903 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@@H]2c2ccc(F)cc2)cc1 1862530524 RUDIXBXTDBYQCJ-HSZRJFAPSA-N 438.543 4.698 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1F 1862650004 LODWTUZFPCFSQV-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862676724 PPSZKHLIPOULNA-XWRIVVANSA-N 438.455 4.891 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 1862680394 AHZZXABNRVLKLM-GOSISDBHSA-N 432.289 4.823 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)cc1OCC 1862684218 RRDALTXHCFITRM-JOCHJYFZSA-N 441.499 5.000 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1Br 1862693631 PRVVEQGSYJSDRH-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714484 CJILSISVCXNMRJ-JTHBVZDNSA-N 431.463 4.736 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 1863151900 NMYJEDJWQPBVLT-UHFFFAOYSA-N 441.506 4.858 30 10 IJEE Cc1cc2oc(=O)c(C(=O)Nc3c(C#N)cnn3-c3ccccc3F)c(C)c2cc1Cl 1866295496 ATTRAIOGHJDSPR-UHFFFAOYSA-N 436.830 4.512 30 10 IJEE CCCC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867714020 WJQKJAIKSSGHPH-PMACEKPBSA-N 432.351 4.972 30 10 IJEE CCCN(CCCN(C)C)c1cc(Nc2ccccc2C#N)nc(Cc2ccccc2)n1 1868216093 QXAHPGSKHPDJKL-UHFFFAOYSA-N 428.584 4.851 30 10 IJEE N#Cc1nnn(-c2ccc(Cc3ccccc3)cc2)c1NC(=O)c1ccc2c(c1)C(=O)CCC2 1870157961 JSTVJLVNWRCWHT-UHFFFAOYSA-N 447.498 4.501 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CN(CCC)CCCC 1870650289 ZXBQLGZEFYJUKS-UHFFFAOYSA-N 445.991 4.717 30 10 IJEE C=CCn1cc(OCc2cccc(Cl)c2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870827923 XEYHXSIFDWIVQC-UHFFFAOYSA-N 437.927 4.837 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CNc1cccc(C)c1C 1870840319 YRZYYQMWINIDCW-UHFFFAOYSA-N 426.557 4.766 30 10 IJEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871233091 YNGKBFVPVFYEII-UHFFFAOYSA-N 447.535 4.722 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OCC)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1871897774 BJWZLOVRPBAUSK-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(OC)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872332122 MTQCVCOWLYOYAL-GAJHUEQPSA-N 444.597 4.542 30 10 IJEE CCCCCCCCN1C[C@H](C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)CC1=O 1873005938 XJDBODKLHFLHOE-NFBKMPQASA-N 438.616 4.836 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)C)cc2)cc2c(N(CCO)CCCC)ncnc21 1873655393 WOANZRSFNKSVSL-UHFFFAOYSA-N 435.572 4.592 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2C)cc2c(N(CC)CCc3ccncc3)ncnc21 1873663671 GGZJXMKJCQIPME-UHFFFAOYSA-N 440.551 4.642 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cc(Cl)ccc1O 1874239275 ZKTSLNMCMKKBEC-YDZHTSKRSA-N 446.960 4.629 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(F)cc1F 1874243227 UHKDFWTWQXIPQK-ZMOGYAJESA-N 432.496 4.918 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1c(F)cccc1Cl 1874296445 BQTCAMVFDMPVKU-WSDLNYQXSA-N 433.896 4.954 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(Br)cc1 1874325615 YLIGTIYRBMJOMF-SRZZPIQSSA-N 431.359 4.841 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2F)c1 1874481241 PVFPEOXNIDDIOW-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874510602 QQEBEUUQSRFOJN-ZVBGSRNCSA-N 429.373 4.711 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccccc2F)cc1 1874512166 ZGPGLTQXDWHGEK-ZMOGYAJESA-N 425.533 4.716 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2cc(Cl)ccc2OC)cccc1OC 1874592270 HLYBUWODCNLXOT-ZRDIBKRKSA-N 431.916 4.501 30 10 IJEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)cc1 1874604719 BKWXSVVYFKURDA-GXDHUFHOSA-N 436.508 4.881 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1OCCCO 1874615498 BEDVUTWCJJJBJP-QPJJXVBHSA-N 440.279 4.958 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1OC(=O)[C@H]1CCCO1 1875140394 DLJLBTRNWKRMGS-LCCNJJIFSA-N 439.464 4.591 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)cc1I 1901945353 ATAQSCKXTKWTGZ-AWEZNQCLSA-N 449.716 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1cnc(CNC(=O)OC(C)(C)C)s1 1922115722 JWVAZWOWOVCOIE-NRFANRHFSA-N 431.602 4.982 30 10 IJEE CN[C@@H](CC#CC1CCCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1944819260 JPKFZZIFFWVRNF-ZEQRLZLVSA-N 427.633 4.574 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](CC#N)C1 1985179631 QFEZJUIQEHBJFA-CEYNDMKZSA-N 445.563 4.702 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cscc1Br 2066526639 JYYNSSUDSDQDBQ-IUODEOHRSA-N 431.396 4.890 30 10 IJEE CC[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(C)c(C=NO)c1I 2080037306 YXUAIQMQVMACPP-ZDUSSCGKSA-N 437.203 4.622 30 10 IJEE CC(=O)Oc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C=NO)c2Br)cc1 2080105375 LTKSCTGAJLAYBB-MRXNPFEDSA-N 442.260 4.706 30 10 IJEE CCc1nn([C@@H](c2ccc(SC)cc2)C2CC2)c(I)c1C=NO 2080105707 OGQYVWMDGUDNEU-MRXNPFEDSA-N 441.338 4.580 30 10 IJEE COc1ccc(Cn2nc(C3CCC3)c(C#N)c2Br)c(Br)c1 2080293359 XRWWNLAMFOFKOH-UHFFFAOYSA-N 425.124 4.604 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cccc(Br)c1F 2089287294 WKZWUADIAJFTKC-AEFFLSMTSA-N 427.358 4.936 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2c(F)ccc(Br)c2F)C1 2126686267 YUBZHXNCRAINEA-MRXNPFEDSA-N 431.321 4.849 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CCN2c1cc(Br)cc(F)c1C#N 2197339075 IMMPWPZSHHMIEJ-ZUOKHONESA-N 438.341 4.734 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@H](N)C#Cc2ccccc2Br)cs1 2227493302 MPHXTGROSNQNEI-SWLSCSKDSA-N 436.375 4.543 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2229034794 TXTMVQVJWYVRQN-QZTJIDSGSA-N 442.365 4.506 30 10 IJEE Cc1cnc(NCc2ccc(OCc3ccccc3)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2232281404 LUODSKCEMVVSGO-UHFFFAOYSA-N 430.357 4.880 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2232450831 ANPXUAWCPDZOQN-YJBOKZPZSA-N 441.414 4.574 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2ccccc2Br)CC12CCCC2 2235722665 KFRGOZQIXCLBAO-PKOBYXMFSA-N 433.390 4.698 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2235728404 MHIMVGQLXKFURQ-PMACEKPBSA-N 431.374 4.558 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2235728572 RXZOMUGYJFSRSZ-BHIYHBOVSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2235731865 RHLQODGQOLMQAC-NSISKUIASA-N 435.406 4.814 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2260842889 FCERTWRCJFJYFT-QPXUXIHVSA-N 444.616 4.542 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCN(Cc2ccccc2)CC12CCC2 2261822061 ZTVAZRBMTJBYOG-HHHXNRCGSA-N 435.564 4.676 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2266710112 WMWDZGFUMGOXIE-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@@]34CC[C@H]3CCCN4Cc3ccccc3)CCC2)OC1(C)C 2267459846 GRKHWQIHNPNEMA-RLWLMLJZSA-N 438.421 4.564 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)cc2)CC1 2267501525 YZSHZKSTIHZWFH-UHFFFAOYSA-N 442.365 4.765 30 10 IJEE C=C([C@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1)[Si](C)(C)C 2281234357 ZZRQMRVLXLHTSG-JSGCOSHPSA-N 441.305 4.892 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2cc(Cl)sc2Cl)s1 2281932833 RDAHNDQCQXOVPY-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 2296124596 KEULLOFBYQLEAI-QHCPKHFHSA-N 426.472 4.581 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@H](O)C#Cc2cccc(Br)c2)(C(C)(C)C)C1 2296224486 KTXRYQYDWCEUHD-GCJKJVERSA-N 436.390 4.835 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)C1 2296301152 RIZXLENMXMJGBY-OALUTQOASA-N 433.390 4.555 30 10 IJEE CC(C)[C@](NC(=O)OC(C)(C)C)([C@H](N)C#Cc1ccc(Br)cc1)C(F)(F)F 2296303583 XUVLLGNBDVWGJV-QAPCUYQASA-N 449.311 4.610 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C[C@]1(C)CCN1C(=O)OC(C)(C)C 2296306604 JHSJCVYPQZPGOD-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE SCC1(COCc2cc(I)ccc2Br)CCC1 2302777550 XSFNRBLIXGQLQV-UHFFFAOYSA-N 427.145 4.670 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 2304624053 DDEWBBXRVAIKCT-QYXIYQDXSA-N 428.573 4.698 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OC(=O)c2ccc3c(c2)OCO3)c1 2314430198 YRQJRQUSKRVCTG-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc(Cl)c1OC 2318414936 IZEWVHLOPZZLMH-UHFFFAOYSA-N 438.977 4.666 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc1OCC 2318574219 HPGDVHOXFXGPKW-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE Cc1nnc(SCc2c(Cl)cccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2321168589 NKKZGMDGKHXXSC-UHFFFAOYSA-N 435.336 4.839 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3C2=O)cc1 2323272152 HFKNQYMVXSDQKW-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccccc2OC)cc1Br 2323701746 OWXKRNNOHQHTIU-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc1 2324422159 ZJLONXAGDHMEIS-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)Nc1ccccc1C(=O)O 2325152367 DYFXVDXSUPHHSP-UHFFFAOYSA-N 449.846 4.672 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1 2325724135 IPTXALZGPVVZDQ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COCCOCC(=O)Oc1cccc(C=CC(=O)c2ccc(Oc3ccccc3)cc2)c1 2325754848 HSRHNNLUHVWKQF-UHFFFAOYSA-N 432.472 4.943 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccncc1 2328446362 CFNGQTYWLYZGAY-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1ccc(O)c(OCC)c1 2328654211 PWNJHEXWDCOWMG-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2330645790 APRRDWSKJKVYJY-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Br)c2)ccc1OC(=O)C(F)(F)F 2331009350 ZMRSRIXPEHKERG-UHFFFAOYSA-N 429.188 4.822 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2)cc1OC 2331051314 XEUBJHDBSDMLHL-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccs1)c1ccccc1 2331094191 QZMZHOBBCVDHIH-MRXNPFEDSA-N 439.610 4.849 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1N=Cc1ccc(F)cc1 2331678607 HXBRDHMMKJKESE-UHFFFAOYSA-N 425.533 4.716 30 10 IJEE CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1 2331709434 UODKMJYWSBNMII-INIZCTEOSA-N 441.988 4.907 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccccc1OC(C)C 2331733026 HDMFFIVKJVNMLD-UHFFFAOYSA-N 449.580 4.864 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339547309 OZDBXCIEPJOXQN-GOSISDBHSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]([C@@H](O)C#Cc3ccccc3Br)CCC[C@H]21 2358761603 SRVFAHBZLWRRJW-XEYPJELSSA-N 434.374 4.587 30 10 IJEE Clc1ccccc1/C=C/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 1953495 WHBPKKYZXJNKAR-LBLUAUPTSA-N 425.968 4.617 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1OC 21249594 SOVDTLPJYNMAIB-SJLPKXTDSA-N 425.912 4.752 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1OC 40076879 IQPVPTQJFACGMH-IBGZPJMESA-N 429.900 4.736 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1OC 41654093 HLKINLOVYXVXDV-MSXFZWOLSA-N 447.462 4.811 30 10 IJEE O=C(c1ccc(Cl)s1)N1CCC2(CC1)Nc1cccnc1N/C2=N\C1CCCC1 96309719 XPHLLCIYNYSYCY-UHFFFAOYSA-N 429.977 4.650 30 10 IJEE CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1 102992349 XFYBMOPTNLOSFB-UHFFFAOYSA-N 426.580 4.832 30 10 IJEE O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1 103098105 NYGTUBANFZHFRB-GOBJLOIFSA-N 434.835 4.875 30 10 IJEE Oc1ccc2cc(Br)ccc2c1/C=N\n1c(S)nnc1Cc1ccccc1 169911648 GJNIORHEBPOKKP-UUYOSTAYSA-N 439.338 4.661 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)CCc2ccccc2)=C(O)C(=O)N1c1ccccc1O 169942908 NAHAEFJTTOLIJO-XMMPIXPASA-N 429.472 4.503 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@H]2c2ccc(O)cc2)cc1 169959677 CGIJYGQTTUENTI-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1cccs1 169988058 MSKUVBCNLNYVPS-LJQANCHMSA-N 427.428 4.818 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccncc2)c1 170014801 AWAVZDUFUGKZCL-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)c1 170119331 OWGRGHWSUMKGQR-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(C)c1 170139303 KTDVAUDXPMZBEM-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccncc1 170212384 RKFLAUPCWSLGKK-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc2ccccc12 170220860 PKYYNOXLDUYKMH-HSZRJFAPSA-N 429.472 4.947 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccccc3)ccc2O1 170221900 JEYMRYBXYSJSAH-OYHNWAKOSA-N 431.513 4.850 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)cc1Cl 170275064 WAHQWDPTEVUGAD-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2ccccn2)o1 170307218 LINRUFKGMAKOLA-QHCPKHFHSA-N 446.503 4.796 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2sccc2C)cc1C 170313409 CEHVCAGOZBTJRM-FQEVSTJZSA-N 443.565 4.685 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1)c1ccccc1 448061745 XUPMUNYHGJYVIY-QFIPXVFZSA-N 438.547 4.713 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1c1cccc(F)c1 460559365 MEPCGIAPSWPVKV-KSFYIVLOSA-N 444.514 4.897 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1c(-c2scnc2C)nc2ccccc21 463525479 AUKMBAFNKMBKCE-UHFFFAOYSA-N 447.520 4.591 30 10 IJEE Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)sc1Cc1c(F)cccc1F 487590501 SJEWWCVSNFLSIY-NRFANRHFSA-N 435.496 4.521 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](CC(F)(F)F)C1 508846368 RCLSZOXMGPEBAA-LBPRGKRZSA-N 445.283 4.681 30 10 IJEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 508917025 AUVILPUEPRGXBZ-MRXNPFEDSA-N 436.903 4.812 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC(C)=O)cc2)cc1 526604550 OTUJYCOCZLRONR-XMMPIXPASA-N 440.455 4.549 30 10 IJEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 526659846 DAFYCNCNKFYJTN-UHFFFAOYSA-N 429.476 4.995 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(SCc2ccco2)C1=O 526666664 OWLVWRGWWWOSPP-UHFFFAOYSA-N 445.500 4.680 30 10 IJEE CCCCc1nnc(SCc2ccccc2)n1/N=C\c1cc(OC)c(O)c(OC)c1 526799180 CUQWEALFIXUQCV-UCQKPKSFSA-N 426.542 4.518 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2nc3ccccc3n2C2CC2)cc1 581738515 QBWFKRJBJFDXKW-UHFFFAOYSA-N 429.524 4.507 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)Cc3cccs3)C2)c1 585997710 QGSHTXBUJIOBKW-FQEVSTJZSA-N 425.598 4.549 30 10 IJEE CCOc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccc(C#N)cc2)cc1 586148803 GJCJFFFFCGZFJE-UHFFFAOYSA-N 438.524 4.530 30 10 IJEE Cn1ncc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c1Br 712432041 CDPSNRWGVIHGQY-CQSZACIVSA-N 425.714 4.842 30 10 IJEE C=C1CCC(CNC(=O)c2cc(Br)ccc2I)CC1 724459346 OBVMTUBXJXECOB-UHFFFAOYSA-N 434.115 4.530 30 10 IJEE N#CCOc1ccc(Cl)cc1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O 735303108 LEKOXXWSVSDYKY-UHFFFAOYSA-N 437.833 4.946 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740059168 HLTGHYGRCHZVPV-UHFFFAOYSA-N 430.533 4.517 30 10 IJEE C/C(=C/C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F 742041501 SHFJFRORZKNXJJ-OVKKFJMPSA-N 431.433 4.657 30 10 IJEE C#CCN(C(=O)N[C@H](C)CCc1ccc(C)o1)[C@@H]1CCOc2ccc(Br)cc21 743671838 FECZQLKNOBJWLO-FOIQADDNSA-N 445.357 4.840 30 10 IJEE O=S(=O)(Nc1ccccc1)c1ccc(NN=C(C[C@@H]2CCOC2)c2ccccc2)cc1 753921387 GXZAXUAKQNUDKN-IBGZPJMESA-N 435.549 4.730 30 10 IJEE C#CCOc1ccccc1-c1noc([C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)n1 762000312 ABTFPWBGTVOTND-OAHLLOKOSA-N 428.414 4.546 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(-c2cccc3ccccc23)n1 778296665 BGNKDCUPWMTYDP-SFHVURJKSA-N 427.485 4.933 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2ncc(Br)s2)cc1C 785020658 GKBUHDXPVTXLKP-UHFFFAOYSA-N 445.342 4.657 30 10 IJEE C=CC[C@]1(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)CCCN1C(=O)OC(C)(C)C 791800725 INTYGBQDDNBIDG-OYHNWAKOSA-N 429.517 4.957 30 10 IJEE C#CCC(CC#C)C(=O)OCc1csc(N(C(C)=O)c2ccc(C(F)(F)F)cc2)n1 803698440 RBLQNOVGDNWRDC-UHFFFAOYSA-N 434.439 4.553 30 10 IJEE CCN1C(=O)COc2ccc(/C(=N/OCCOc3cccc4ccccc34)C3CC3)cc21 821233601 ZDPZVUNHBJVAGI-CYYJNZCTSA-N 430.504 4.795 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1 919882976 YQXWIVGFMKMUHX-UHFFFAOYSA-N 425.488 4.915 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cc(Br)ncc1Br 1125372901 SFSIVOXNKAWNNW-UHFFFAOYSA-N 428.099 4.574 30 10 IJEE C#CCN(C(=O)c1ccc(OC)cc1Cl)[C@H]1CCOc2ccc(Br)cc21 1126150729 GJDMYWRQGMMLKK-SFHVURJKSA-N 434.717 4.710 30 10 IJEE C#CCOc1ccccc1CNC(=O)Cc1csc(-c2sccc2Br)n1 1126168187 FZNVPZMJVKLRGF-UHFFFAOYSA-N 447.379 4.505 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(F)c(I)c1)c1ccc(F)c(F)c1 1128249466 UNYZCJRHCWHLPN-INIZCTEOSA-N 431.195 4.756 30 10 IJEE C#CCN(C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)[C@H]1CCCc2ccccc21 1134092197 BVEXTFPTGDDXBV-DEOSSOPVSA-N 439.552 4.695 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1148674578 LNCAWYIILGGVTJ-IRXDYDNUSA-N 441.450 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)cc2OC(F)F)c2ccccc2C1 1167926668 BXDGDVGQGHRONO-UHFFFAOYSA-N 429.467 4.917 30 10 IJEE CCN(CC(=O)NCc1cccc(C#N)c1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 1190527878 ICLKOEZRVCKSDE-UHFFFAOYSA-N 441.453 4.975 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3C[C@H](C4CC4)O[C@H](C)C3)c2C#N)C1 1193974255 AFXOGXURMSGPJS-WRWLIDTKSA-N 429.630 4.599 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)c1ccc(Cl)cc1F 1227018622 YTLHGOLZPMKVRQ-FGZHOGPDSA-N 427.951 4.753 30 10 IJEE COc1cc(CC(=O)OCc2ccccc2Oc2ccccc2C#N)cc(OC)c1OC 1272483092 CKELCDSVEMYETM-UHFFFAOYSA-N 433.460 4.662 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCC(F)(F)C1 1286277146 BKJIUXLSYDVJGN-KSZLIROESA-N 432.515 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N1CCC[C@H](C)C1 1286278455 DAIZJCDYTBBBON-SLFFLAALSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@H](F)C1 1286282353 PFFZTXCTOOYSPA-GUTXKFCHSA-N 439.760 4.957 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1286329260 UOKFWXNYLPNMQQ-UHFFFAOYSA-N 445.464 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(F)cccc1Cl 1286556410 PAXUNEYZZHNYPU-HBGVWJBISA-N 448.970 4.930 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(CC)C1 1286559214 VEQFVSAVLXEJDX-OUPRXKBMSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1c(CC)nn(C)c1CC 1286584149 XLXGUHFFUMWWRW-UHFFFAOYSA-N 445.615 4.590 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1286594352 MUCUXXAJMBGXDS-UHFFFAOYSA-N 435.547 4.530 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286602928 FQYSLFMCFOMYEZ-NLWGTHIKSA-N 444.645 4.728 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2CC(F)(F)C2)CC1 1286643481 KJCZHYIPJNSLPL-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(COC)CCCCC2)CC1 1286647986 GFNSFQNXMVNLFW-UHFFFAOYSA-N 438.616 4.825 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1CC1CC(C)(C)C1 1286740879 YRXZKYDLIXEYEN-UHFFFAOYSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1Cc1csc([C@@H](C)OC)n1 1286748040 RWCIRBSZQFISKB-OAHLLOKOSA-N 427.549 4.699 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1Cc1ccncc1Cl 1286759662 FMDDSMPDVNRYRE-UHFFFAOYSA-N 432.959 4.615 30 10 IJEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1286833125 VRMFXUMFLPFXOK-KRWDZBQOSA-N 434.556 4.539 30 10 IJEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC2(CCCC2)C1 1293850144 HYISPCIIBUAZKW-HXUWFJFHSA-N 448.615 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 1297140249 XMLAPDNHSXIDFT-XOBRGWDASA-N 449.334 4.662 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(-c2ccccc2CC)cc1O 1299169163 GFYOUQPSZRXPDE-UHFFFAOYSA-N 442.313 4.720 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C(C)C)C1 1300392022 XXMFARDVZXMUGW-MRXNPFEDSA-N 431.378 4.612 30 10 IJEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cc2ccccc2s1 1300438326 LISQSTCXYHGRCW-UHFFFAOYSA-N 440.370 4.563 30 10 IJEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1300765566 HJFVKFPICHGJDA-UHFFFAOYSA-N 438.572 4.556 30 10 IJEE C=C(Cl)Cn1c(N2C[C@@H](CCN3CCCC3=O)c3ccccc32)nnc1C(C)(C)C 1301060306 DQKBARDKPIKGBK-QGZVFWFLSA-N 427.980 4.576 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1301119440 IXXKKLBRYCYBDQ-QHCPKHFHSA-N 432.616 4.587 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C)cc2OC)CC1 1301135322 JEDXELAOFVNVHZ-FYYLOGMGSA-N 438.616 4.964 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](CCC)OC)CC1 1301135702 OPYPHZYDTVAGEZ-PMACEKPBSA-N 447.624 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1301136847 FYDJFKNEINJFON-UHFFFAOYSA-N 447.986 4.759 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CC=CCO1)C1CC1 1301317296 PULUWPOFFSDASY-MRXNPFEDSA-N 449.780 4.861 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC1CCC(F)(F)CC1 1301420753 IZCBACYHPGJNTD-UHFFFAOYSA-N 441.526 4.958 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCc2csc(C(C)C)n2)C1 1301546066 PGTWILFLAKPURJ-HXUWFJFHSA-N 437.613 4.857 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCc2csc(C(C)(C)C)n2)C1 1301555180 AATBDEPDMMXDTQ-SFHVURJKSA-N 431.650 4.645 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCC(C)CC1 1302719046 FSJAUFGPRYOUBU-WOJBJXKFSA-N 440.661 4.515 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOC1CCCCCC1 1303633317 FFDUCPVRJSIXRW-HXUWFJFHSA-N 447.587 4.609 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)c2nccs2)cc1 1304431426 GBSDIVNLONVLBX-DLBZAZTESA-N 426.615 4.735 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 1308815292 SIXMOIIDRNNOTL-XPPIMPSXSA-N 426.988 4.923 30 10 IJEE C=CCC1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CCCC1 1309494198 NSZCJXWPXKGYOV-UHFFFAOYSA-N 426.298 4.883 30 10 IJEE C=CC[C@H]1N(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCCC1(C)C 1312205064 UCNHCPMFYMPHEF-XMMPIXPASA-N 427.633 4.834 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21)c1ccc(F)c(F)c1 1312538511 ZWHXZJJYRMPXHZ-DILOTOHQSA-N 433.296 4.982 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 1312600688 DAMNEXCEJRKGES-UHFFFAOYSA-N 431.378 4.913 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cccc(C#N)c1 1313535881 FLCXQGABEAKCMJ-VQIMIIECSA-N 439.361 4.905 30 10 IJEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(CC(C)C)C1 1313770818 ICAFJVLEHXRWDA-QHCPKHFHSA-N 434.632 4.811 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1314923140 BHVBKPWCUWBKDJ-KCWPFWIISA-N 448.659 4.704 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cn3c(Br)cnc3s2)c1 1352431136 XPEZPLXSKUXLGV-UHFFFAOYSA-N 426.295 4.580 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCSC1(C)C 1358953425 XDDZWNNVZNCIQV-IBGZPJMESA-N 426.630 4.890 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCCSCC(C)C 1358989762 PEJCUALLUULAAJ-UHFFFAOYSA-N 431.609 4.736 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(CC(C)C)C(C)C 1359050371 OSQRXGLJXZMFQM-UHFFFAOYSA-N 435.435 4.945 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCS[C@H](C(C)C)C1 1359094757 FLYHSCVRBXGCKT-BJLQDIEVSA-N 448.036 4.553 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccc(OC)cc1 1359109694 LAKRBJBTHFCZTK-QGZVFWFLSA-N 441.963 4.872 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)NCc2ccco2)CC1 1359175625 TWZGXXXHEAMXCH-UHFFFAOYSA-N 447.583 4.554 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1359181932 MVIJHLGBMZCROT-NRFANRHFSA-N 441.595 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1359188943 XMDQWJKPUJMJSA-SFHVURJKSA-N 431.625 4.984 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC[C@H](N2CCCC2=O)C1)c1ccccc1 1359193356 CNHNQTVYZOEOEI-MZYLBHOOSA-N 435.616 4.743 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1c(C)nn(C)c1C 1359198240 LURWBHIRTLFHJQ-UHFFFAOYSA-N 444.587 4.678 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)CCOC)C1CC1 1359246738 JPPJZCDSPQQILF-QFIPXVFZSA-N 447.004 4.756 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCCC1 1359255824 LUFZXNUOZFFDGZ-AREMUKBSSA-N 449.599 4.573 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN(C(C)C)C2)C1 1359317016 AJJFGLZBGXKSRS-VQTJNVASSA-N 444.023 4.500 30 10 IJEE C=CC1(CC(=O)Nc2cc(Br)ccc2Sc2nnnn2C)CCCCC1 1434922897 ZMDCAMBHBJTLCZ-UHFFFAOYSA-N 436.379 4.589 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 1435137071 PGGQDCGIUOYPQC-XUZZJYLKSA-N 430.529 4.801 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1439339641 KDJPHFCYDQARMU-RCCFBDPRSA-N 426.479 4.650 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 1456028124 OINQCQXNQODXBP-MRXNPFEDSA-N 442.343 4.663 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(OCc2ccccc2C#N)c1 1457087713 DVTYWGLMKBYXMK-JIPXPUAJSA-N 439.559 4.778 30 10 IJEE C#CCOCCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)cc1)CCC2 1457395398 YGXUJOQOUPOFSX-XUTLUUPISA-N 440.543 4.842 30 10 IJEE C#CCN(Cc1cc(C(=O)OC)ccc1Cl)[C@H]1CCOc2ccc(Br)cc21 1459514600 QSOOXPKEVQQUHH-IBGZPJMESA-N 448.744 4.848 30 10 IJEE CCO[C@@H]1C[C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC 1459983248 CEOSPQPSWGVMAV-XZOQPEGZSA-N 436.600 4.537 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(Br)c2F)CCCN1C(=O)OC(C)(C)C 1461567761 DVTIXAJZCRGOBW-LJQANCHMSA-N 427.314 4.873 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 1463062886 GCGZNRMWDUEUAZ-FQEVSTJZSA-N 444.354 4.718 30 10 IJEE CC(C)(C(=O)NCC1(c2ccc(Br)cc2)CCC1)c1cc(F)cc(C#N)c1 1464397098 FKWGHISESOJAMH-UHFFFAOYSA-N 429.333 4.976 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 1466817335 ZEVUXUJPSWGWDQ-KDOFPFPSSA-N 425.367 4.977 30 10 IJEE C=C(C)[C@H](NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1467261051 IEAHQEAVSMZDTN-UZLBHIALSA-N 438.515 4.850 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 1470489669 PDWXVCUXAGDGDS-ZCYQVOJMSA-N 444.579 4.759 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(Cl)cc1F 1470667799 SQGUWOFJKYHLAQ-DLBZAZTESA-N 432.845 4.544 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1)c1ccccc1 1471203767 PBWXLJDOUGXGNW-VWLOTQADSA-N 437.584 4.629 30 10 IJEE COC(=O)c1scc(C)c1NC(=O)[C@H](C)Sc1ccc(C#N)c(C(F)(F)F)c1 1473010298 CLSYKVRLOVAFCT-JTQLQIEISA-N 428.457 4.853 30 10 IJEE C#CCN(Cc1cccc(Br)n1)[C@@H]1CCOc2ccc(Br)cc21 1473169124 UYQQSJYIJQWTDA-MRXNPFEDSA-N 436.147 4.566 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(CCc2cccc(F)c2)C2CC2)n(Cc2ccccc2)c1C 1473172036 BMNMNPRBEAIXPW-UHFFFAOYSA-N 444.554 4.810 30 10 IJEE C#C[C@](C)(CC)N[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 1473488859 TVSFYSBYESQZDE-NFBKMPQASA-N 434.521 4.790 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(CNC2(c3cccc(C#N)c3)CCOCC2)cs1 1473653255 LCOCLJNZSGGQFB-UHFFFAOYSA-N 446.576 4.803 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 1476149299 YQIZAZGYWQMFMY-AWEZNQCLSA-N 431.323 4.908 30 10 IJEE N#Cc1cc(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)ccc1Oc1ccccc1 1476463166 FYVBJYQMDBZGFF-OAQYLSRUSA-N 448.523 4.969 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 1478906895 MKGBWSJRMBGLJU-PKTZIBPZSA-N 436.552 4.963 30 10 IJEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCC1CC(OC(C)(C)C)C1 1494611189 IBCZKNXGBDRMAJ-XPQZIERPSA-N 439.629 4.742 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1cc(C)oc1C 1496073149 CQSGNHQFWDYINZ-NSYGIPOTSA-N 435.572 4.807 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccsc1 1507542817 SOFREGDOFXDISA-KRWDZBQOSA-N 428.989 4.819 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1(COC)CCCC1 1507603202 SYAJUFWBECCCSV-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(F)(F)F)c1 1507700551 TYRGWFBKCUFXTB-RTBURBONSA-N 434.506 4.723 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@]2(CCSC2)C1 1507828665 MCOWMVVACROONN-IBGZPJMESA-N 437.382 4.756 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)s1 1507830152 UCXXSDRSKCJIDH-UHFFFAOYSA-N 448.596 4.818 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCn2cc(C)cn2)CC1 1507878729 OLODOEGCLMKAKX-UHFFFAOYSA-N 434.588 4.732 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(Cl)c2C)CC1 1507898188 PGZDIROJRPDFBE-DEOSSOPVSA-N 445.007 4.731 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCSC(C)(C)C1 1507957876 MEMMFQFDBNNUJT-FQEVSTJZSA-N 444.645 4.959 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC[C@@](C)(CC)O1)C1CC1 1507991854 VQLCGSQWOHCFSB-PXDATVDWSA-N 437.588 4.650 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1sccc1C 1508009014 UBDXEXYAFUDCNT-LJQANCHMSA-N 426.561 4.922 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1508011548 SVSICOGMTBRSLC-JTHBVZDNSA-N 438.664 4.855 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1)[C@@H]1CCCO1 1517656889 NZUVCRBXQXEEPP-MSOLQXFVSA-N 448.375 4.672 30 10 IJEE C#CC[C@@H](NC(=O)c1cccn1-c1cccc(I)c1)c1ccccc1 1519779615 WIYDMBPGPYJCLP-LJQANCHMSA-N 440.284 4.576 30 10 IJEE C=CCc1cc(C(=O)NCC(C)(C)c2ccc(Br)cc2)cc(OC)c1OC 1526949164 ZLWOIFIMPHQEQA-UHFFFAOYSA-N 432.358 4.902 30 10 IJEE N#Cc1ccc2c(c1)CCN2C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 1528622684 FOIDOEFJWUUQFR-UHFFFAOYSA-N 427.291 4.827 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)O[C@H](Cc3ccc(Cl)cc3)C(F)(F)F)C2)c(F)c1 1530956993 HJJPVRSMIDVERM-DNVCBOLYSA-N 440.824 4.894 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 1532371910 HUILMFFJJQKUKH-UHFFFAOYSA-N 425.604 4.936 30 10 IJEE C#C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1)C1CCOCC1 1533501201 QWLLUIHSIHYALD-VWLOTQADSA-N 427.548 4.821 30 10 IJEE C=CCC[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C(F)(F)F)cc1 1536397847 GJKWNWOUXMVOHY-INIZCTEOSA-N 432.364 4.710 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H]2CCc3cc(Br)ccc32)CCCN1C(=O)OC(C)(C)C 1536683358 FWMGJPHDHQBJEY-XMSQKQJNSA-N 449.389 4.898 30 10 IJEE C=CCSCCNC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1536806771 KYABJIDINQSGOR-INIZCTEOSA-N 433.401 4.937 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)CC1 1537357372 SYBPCTXNJLOYOF-VKPQGXNBSA-N 444.575 4.796 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(C)(C)C1CC1 1539162737 YAMQHSSQIQQPFY-UHFFFAOYSA-N 431.378 4.612 30 10 IJEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](c1ccsc1)N(CC)CC 1539186407 GREQLZKOHKNLER-QHCPKHFHSA-N 446.624 4.564 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Oc2ccc(NC(=O)c3cccnc3)cc2C)cc1OC 1539538298 IIWDBURGVZOZPY-WQLSENKSSA-N 444.487 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CSCCS1 1539569060 HSBSYRGTCFZBMH-DENIHFKCSA-N 444.695 4.720 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCCC[C@@H]1C 1539676398 OQDQOUWOTALAJQ-QFIPXVFZSA-N 434.632 4.948 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCOC1 1540147138 JDUAUSXWQGNYOA-FQEVSTJZSA-N 438.597 4.846 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCC[C@H]2CC)C1 1540886853 KJVVGUAZZCBXKK-YADHBBJMSA-N 444.023 4.644 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)OC(C)(C)C1 1540922820 ZHJBZYRAJFHBQS-KRWDZBQOSA-N 448.658 4.502 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2N(C)CCCC2(C)C)C1 1541375864 CVCWOIHXXCOKGY-PKTZIBPZSA-N 434.632 4.810 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cc1ccc(C)c(O)c1)c1ccc2c(c1)OCCO2 1543115292 KSONQFYZNCULIA-UHFFFAOYSA-N 445.515 4.813 30 10 IJEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2CC2CC(C)(C)C2)ccc1OC(C)C 1554738014 HVIXQZNRDXXPTH-UHFFFAOYSA-N 437.588 4.917 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@]2(CO)CCCC(C)(C)C2)cc1OCC 1560536634 QFCGCDXVTMEUKJ-NRFANRHFSA-N 426.395 4.834 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)c1ccc(F)c(F)c1 1561487848 SXGXDCWFEQQOQI-RNODOKPDSA-N 445.915 4.628 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(Br)cc1 1562254907 XMVMQCFNKHGWDT-RTBURBONSA-N 443.341 4.893 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)cc(C(=O)OC)c1C)c1ccc(Cl)cc1 1562964384 XAZVLGDVYHBMPK-INIZCTEOSA-N 435.705 4.694 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1564795350 LHCXPMIDDWTCPC-HXUWFJFHSA-N 436.506 4.931 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)cc1OC 1584767538 URUQZJFXCXQAGO-ZRDIBKRKSA-N 446.478 4.985 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cc(O)nc(C3CCC3)n2)c1 1586287810 JYOIMHYPENWQRT-UHFFFAOYSA-N 434.883 4.697 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC1(CCC)CCC1 1588117829 SDOCYKAQVUPJEA-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CCCCC1)N(C)C 1588289038 VQFZUVBFHFRBBI-NRFANRHFSA-N 444.023 4.577 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1589070610 VFNYYZUUBQKVRV-KRWDZBQOSA-N 433.021 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H]1CCCCO1 1589504942 KDCJXEWEUMTATQ-MMOPVJDHSA-N 448.970 4.724 30 10 IJEE C=C(Cl)Cn1c(N2CC[C@H](C(C)(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593932043 DKYYSTIZKFVMJB-YESZJQIVSA-N 438.016 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCCC1 1594461284 PDYXBBUYBINAJP-UHFFFAOYSA-N 430.618 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1594477580 GBGCGXXLQQJMLK-UHFFFAOYSA-N 425.968 4.634 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCCC)CC1)c1ccccc1 1594543923 FMKUAAQUYSHWHQ-PKTZIBPZSA-N 446.599 4.881 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(C)CCc1ccc(Br)cc1 1594728041 WNEFRWSOKFLQCV-LJQANCHMSA-N 433.394 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1ccc(Cl)nc1 1595127209 IZXFIBXZRJJBCX-UHFFFAOYSA-N 434.906 4.769 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCN(CCC(C)(C)C)CC2)nnc1C(C)(C)C 1595664587 HGGHDCKFFKOWLY-UHFFFAOYSA-N 439.648 4.747 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](COCc2ccccc2)C1 1615659294 CGBVXFALAZSWDJ-UYAOXDASSA-N 437.609 4.754 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 1616302622 CEDQXGUWJOLKPG-AWEZNQCLSA-N 425.938 4.994 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)Nc1nc(C)c(Cc2ccc(Cl)cc2F)s1 1618218467 DKRPVWWTPPEIAU-UHFFFAOYSA-N 445.903 4.733 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(Oc2cccc(F)c2)CC1 1620445220 ACVZKGWODVHXLC-INIZCTEOSA-N 441.572 4.898 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 1630346339 ANJLFRQHKJNTSX-UHFFFAOYSA-N 429.973 4.916 30 10 IJEE C#C[C@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)c1ccc(Cl)cc1 1635894811 SAEQPZHQKSSJBX-KRWDZBQOSA-N 430.733 4.800 30 10 IJEE C#C[C@H](NC(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1F 1636567866 ZFICIEZYZSZOCP-INIZCTEOSA-N 443.828 4.724 30 10 IJEE C=CCCC[C@H](C(=O)N[C@@H](Cc1ccccc1Br)C(=O)OC)c1ccccc1 1639983053 TYOVZLWVQRDMNV-FPOVZHCZSA-N 444.369 4.790 30 10 IJEE C=CCNc1ncc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)s1 1640059068 KALFKXLGGVHCTE-LJQANCHMSA-N 425.476 4.877 30 10 IJEE C=CC[C@@H](Sc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1)C(=O)OC 1643481260 CKFRKWFXVKVCAN-LJQANCHMSA-N 431.558 4.677 30 10 IJEE COc1ccc(N(C(C)=O)c2nc(CN[C@H]3CCCc4cc(C#N)ccc43)cs2)cc1 1652684171 GSRYGLIECLSHKU-QHCPKHFHSA-N 432.549 4.875 30 10 IJEE N#CCCn1cc(CN[C@@H]2CCc3c2ccc(F)c3Br)c(-c2ccncc2)n1 1657984715 ATNMKVOXMCGUTI-LJQANCHMSA-N 440.320 4.537 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1658658797 ANINKAJGTJKTQC-FQEVSTJZSA-N 444.576 4.941 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1ccc(Br)cc1 1659589095 WMPXMKYFSGUPHW-SFHVURJKSA-N 443.341 4.829 30 10 IJEE C=C(Br)CN1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1660744149 ZGGQWYPBALKYNK-KRWDZBQOSA-N 437.378 4.778 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(Cl)c1 1661965439 GTFYYDDSQSSWFQ-CQSZACIVSA-N 445.755 4.751 30 10 IJEE Cc1ccccc1[C@@H](CO)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1666028136 CZOIDFNEVJKHHF-RUZDIDTESA-N 429.520 4.837 30 10 IJEE CC(C)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1667966531 GGUVCAKDILJQDA-UHFFFAOYSA-N 427.751 4.825 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1669746900 DVPNHFNTLLPTFU-FQEVSTJZSA-N 429.511 4.697 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1669834469 JHAWPFRDKBOQQV-UHFFFAOYSA-N 436.556 4.985 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1672860993 MXUXEOVOMWZAGJ-UYAOXDASSA-N 449.617 4.516 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1)c1ccc(Cl)cc1F 1674035530 BMHLHQBPJWCKDG-KNQAVFIVSA-N 430.907 4.553 30 10 IJEE C#CCOc1ccc(NC(=O)N[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1674518757 KGMWEVVMMZQBEU-NRFANRHFSA-N 441.572 4.780 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c(Br)c2)CC1 1676967538 SORZWKBUKJQZRR-UHFFFAOYSA-N 447.304 4.763 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1)c1ccccc1 1680742860 BLEBTVHIDMBBMM-JWQCQUIFSA-N 432.564 4.910 30 10 IJEE C=CCOc1ccc(CNC(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 1682245991 CUSKEEMNEYDMIN-IERDGZPVSA-N 434.458 4.942 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)CCC(F)(F)F)C1 1682286282 NGOVSBBQAHCEAC-VQIMIIECSA-N 429.914 4.710 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1 1682356948 PLWASOPKDCPLCX-XLIONFOSSA-N 442.313 4.621 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1)c1ccc(Br)cc1 1686920481 YXDOHHDSIRRCEH-IRLDBZIGSA-N 427.342 4.505 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1689884191 MKTFYPNDJVZSPA-FQEVSTJZSA-N 437.588 4.551 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1689923031 IJRGJGRPFGGOTQ-MRXNPFEDSA-N 436.357 4.640 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[C@H](OC)C(F)(F)F 1689949290 XWOVGKLFRGNMIN-AWEZNQCLSA-N 442.894 4.850 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1690174425 CXNNCQFZCGDTSS-FYYLOGMGSA-N 440.657 4.837 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690422583 SXROMSRQTDNYRR-LJQANCHMSA-N 441.620 4.828 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690435108 RIBSNAKCETZSOU-IBGZPJMESA-N 438.551 4.686 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690451474 HOOOCGWARCOGDP-JBACZVJFSA-N 440.544 4.505 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690477029 XQBIODJFRPNDCN-LJQANCHMSA-N 447.370 4.530 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1ncc(C)s1 1690534683 HMVQCTMPESRNHE-WBVHZDCISA-N 446.621 4.541 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCO[C@@H]1C(C)C 1690586169 GSIQMQXMLAHXQL-NFBKMPQASA-N 432.572 4.575 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1690611726 XNWKXZZSXVXLRL-YADHBBJMSA-N 426.605 4.691 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]2CCC[C@H]21 1690737388 KQJPNDMYRNSNGS-YLJYHZDGSA-N 428.602 4.650 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)N2CCCCC2)CC(C)(C)C1 1693772000 AEKMMXPBYGTYHI-LEWJYISDSA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C#N)CC1 1705509765 NTWDPGWUPPSLPO-UHFFFAOYSA-N 446.780 4.904 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1705607247 WQVMITXYWUVNPD-SJORKVTESA-N 436.478 4.715 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(OCC)c(OCC)c2)CC1 1705767327 JBBUIMKXHIWACM-UHFFFAOYSA-N 447.583 4.845 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(N(C)C)CCCCC2)CC1 1705771244 MFPCUDSQNKBNCW-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705793205 PIXVHUKFELVFLD-IBGZPJMESA-N 449.565 4.852 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1705795178 DSMTXDJFICNILR-ICSRJNTNSA-N 435.538 4.836 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H]1C(C)C 1705880507 HLURGIOEYDJHSV-OFNKIYASSA-N 435.572 4.538 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1705915445 KDTHQTNQLKPGDR-NJHHKMHKSA-N 438.616 4.805 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1706934586 CIBBINDOXJJOIQ-XGHQBKJUSA-N 432.494 4.839 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(OC(C)(C)C)CC1 1722317335 DXFHYVXBQCRDLZ-UHFFFAOYSA-N 433.600 4.869 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C)[C@@H]1C 1722325556 AJUZYIQJJQAZEY-KBPBESRZSA-N 437.382 4.590 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1722330059 PLYSBMIULXSQRK-RBUKOAKNSA-N 442.629 4.876 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCOC(C)C 1722345946 KLWIARREZIFNEF-UHFFFAOYSA-N 439.785 4.636 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H](SC)C(C)(C)C 1722418232 JUCGNKAWZMNZNZ-NRFANRHFSA-N 439.604 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](OC)C1CC1 1722504185 FHOIMFNPRYNHRR-IBGZPJMESA-N 449.393 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cc(OC)nc2ccccc12 1722512642 JZTBVSUVNNSBGQ-UHFFFAOYSA-N 428.540 4.656 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS[C@H](CC)C1 1722521331 HMWMBRGTUFDTSV-OAHLLOKOSA-N 437.407 4.624 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1722638907 RSVRJPDTJYHCRO-SFTDATJTSA-N 448.615 4.980 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCSC1(C)C 1722655131 GHAWFSRNOFVVDF-FQEVSTJZSA-N 432.597 4.869 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@@H]1C 1722655142 GJPKKKFUOULBPP-AVRDEDQJSA-N 431.540 4.583 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1722683170 CMTVOPMKNQMRKV-UHFFFAOYSA-N 447.358 4.710 30 10 IJEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC(C)C)C(C)C 1722749160 FHMVCRQNCSORCI-UHFFFAOYSA-N 446.661 4.714 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1723761082 ADPOMGDUEVOOQZ-AVRDEDQJSA-N 432.572 4.728 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1740537587 WTSAMNDHPHUSNA-HSALFYBXSA-N 428.024 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCOCCC(C)C 1740538443 MHVKPYVKXZYFHQ-HXUWFJFHSA-N 433.600 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCO[C@H]1CCCC[C@H]1C 1740558658 GQTNCFTTXJYUQG-AABGKKOBSA-N 442.629 4.632 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1740575904 WOAMSWKTKQTFOW-OAQYLSRUSA-N 434.613 4.525 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC12CCOCC2 1740648335 IXSDFUMKIKRDGE-KRWDZBQOSA-N 443.378 4.532 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1=CCCCC1 1740679941 NCIYXYCNMMYHIP-SFHVURJKSA-N 428.964 4.658 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)CN1CCCCC1 1740768206 HBKXWRNCZJMDAN-QGZVFWFLSA-N 449.441 4.560 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]2CC[C@@H]21 1740805449 QUYRISDEJJQGBG-WBMJQRKESA-N 425.733 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1740821416 IHJYUPNVOSNTSO-FQEVSTJZSA-N 437.588 4.749 30 10 IJEE C=CC1CCN(c2nnc(CC)n2CCc2cccc(NC(=O)OC(C)(C)C)c2)CC1 1740839598 LBFRCMCZBFNLOT-UHFFFAOYSA-N 425.577 4.833 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1740861779 YJOXLMYWBVTROI-HXUWFJFHSA-N 443.498 4.809 30 10 IJEE C=CCn1c(N2C[C@@H](c3ccccc3)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950175 UEEOGQFNXXKZJV-ZIBCJSCZSA-N 437.588 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(COC)CCCCC1 1748639531 IQRUFDGMVVHKEU-RTBURBONSA-N 428.552 4.612 30 10 IJEE COc1ccc(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1748699909 DQXWVQPEUISNHF-SWHJIRTISA-N 437.588 4.537 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1748718010 BZPYMNPFEWTAGB-NRFANRHFSA-N 441.000 4.965 30 10 IJEE C#CCCCn1c([C@H](C)CC)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1748731566 GKWXWADVSMDDBK-LJQANCHMSA-N 431.625 4.678 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC=C(Br)C1 1748735312 FZSKJASHUCCFCY-GOSISDBHSA-N 443.389 4.937 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCSc1nccs1 1748917747 KSOYUMAKYRESID-UHFFFAOYSA-N 435.981 4.836 30 10 IJEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1cccc(C)c1 1749085669 CQAHNYKCRRLQRL-HKUYNNGSSA-N 449.393 4.561 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H](C)CC 1749089748 BSGFHCQVKQVFLW-CQSZACIVSA-N 429.366 4.726 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCc1ccc(Cl)cc1 1749126662 FPIGIMXBSROBKK-KNQAVFIVSA-N 439.991 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)N(C)C1CC1 1749146492 FWEPMXPTMBJBLX-MRXNPFEDSA-N 432.410 4.593 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749209495 ZXLUZQJZAJMCSD-SFHLNBCPSA-N 428.577 4.854 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1749210953 PUBNHISONSLOAV-IBGZPJMESA-N 436.604 4.884 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCn2cc(C)cn2)CC1 1749312942 ZLIGUGPJGKFGPY-UHFFFAOYSA-N 434.588 4.650 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1749331372 ZBSVDAFZZUYHCO-UEXGIBASSA-N 442.526 4.626 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2CCOCC2)CC1 1749334687 KFYVOOSAXWUTRN-UHFFFAOYSA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1749367160 RADQMJXHEYJPOZ-PKTZIBPZSA-N 438.616 4.818 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)CC1 1749429100 FSCUNAVCFAVEFU-WOJBJXKFSA-N 431.625 4.985 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1749467451 PPASTCFVHXDCQI-GHTZIAJQSA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)C(C)C 1749539084 SJNGFTGBRYOIFD-QHCPKHFHSA-N 425.964 4.593 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760142322 YWCFRAUFBKOAHG-OAQYLSRUSA-N 428.527 4.841 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1Cc1cccs1 1760144320 LPPFVFGXUNCTHZ-NRFANRHFSA-N 447.608 4.834 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(C)CCOCC1 1760288961 DUFMFKMEBJLFON-JOCHJYFZSA-N 443.389 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1Cc1cccc(Br)n1 1760330981 BIVKDYNVTRGTPU-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(F)F)C1)c1ccccc1 1760364506 SMJGIOHKDCUUHY-SFHVURJKSA-N 429.540 4.829 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1760367796 UKGASWQKVMBLBP-AWEZNQCLSA-N 436.318 4.995 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nc(C(C)C)cs2)CC1 1760383968 FVHMZJUPMVIGHJ-UHFFFAOYSA-N 447.406 4.820 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](C(=O)OC)C1 1760423353 WTHRFBIXVPQDAM-ROUUACIJSA-N 442.629 4.877 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCN(C)C1CCCCC1 1760479579 UEOMFVGEHIJLOF-UHFFFAOYSA-N 443.599 4.602 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760507393 CQEFCSDXCKZSMK-HOCLYGCPSA-N 440.535 4.865 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC2(CCCCC2)C1 1760512622 VWENCVPVXOUPPP-UHFFFAOYSA-N 437.371 4.889 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@@H](n4nc(C)cc4C)C3)nnc2C(C)(C)C)cc1 1760531373 NJMKGYLLWPOQET-JOCHJYFZSA-N 448.615 4.844 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(F)cc2C(F)(F)F)C1 1760542343 GCQVBUYNGCFXIJ-QGZVFWFLSA-N 440.485 4.854 30 10 IJEE C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H](C)CC#N)n3CCOc3ccccc3)cc2C1 1762807912 FFSRZZHZKWHRDR-QZTJIDSGSA-N 435.597 4.949 30 10 IJEE COCCC1(Cn2c(CC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CCC1 1769589021 HLIUVWRYVWTAPO-UHFFFAOYSA-N 433.600 4.849 30 10 IJEE N#Cc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n(Cc3ccccc3F)n2)cc1 1859414178 ONGJQNLUYBYSRB-UHFFFAOYSA-N 441.422 4.770 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc3c(c2)[C@@H](C)C(=O)N3)c(C)s1 1859555971 PZRMKHCZTDIJQE-CQSZACIVSA-N 449.532 4.756 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nc(-c4cccs4)oc3c2)nc1C 1859737080 LJDSRTBXWHWBNS-UHFFFAOYSA-N 425.491 4.916 30 10 IJEE C=CCNC(=O)[C@H](NC(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1)c1ccccc1 1860947870 PTJWTANDKKILSL-JOCHJYFZSA-N 444.922 4.657 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 1862409342 IMTROUASGYMHFP-IBGZPJMESA-N 444.871 4.552 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1 1862460222 TTZGHAAJSQCMSM-ODXCJYRJSA-N 433.426 4.879 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862666736 LFMPCCPOTUJDCK-JOCHJYFZSA-N 435.520 4.975 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C(=O)O)c1 1862702413 ZHCBMQHUCNQKCB-QPJICYPMSA-N 449.503 4.550 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCC(C)C)c1 1862740042 NIDPCWVWOBVOMD-NRFANRHFSA-N 438.480 4.618 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1Cl 1862743728 FELMHZXEWYJXJH-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(C)c(C)c3)C2=O)c1 1862877098 MZQNCRASDBOMOH-UHFFFAOYSA-N 435.483 4.774 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CSc1ncccn1 1870264979 FVXZDUGOQDNKSN-UHFFFAOYSA-N 447.601 4.623 30 10 IJEE C#CCOc1cn(CCCCN2CCCC2)c(CN(CCCC)CCCCCC)cc1=O 1870563687 LCHGNTXVSCGEBI-UHFFFAOYSA-N 443.676 4.919 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1cc(C)ccc1C 1871156316 WZMZEPYSCKXMLM-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE CCOc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871375414 KJKBNJOUSREMFC-QRVIBDJDSA-N 445.427 4.758 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 1871386595 CXAYAAFIUBJDHN-OYKKKHCWSA-N 446.455 4.938 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4)cc(C)c3C2=O)c1OC 1871459918 KXJOTYBPSJHJHG-XKZIYDEJSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872054086 CKUHRZASTWNWGY-HSZRJFAPSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(C)c(C)c1 1872103866 FSDLMHUOVLEOAG-HSZRJFAPSA-N 439.581 4.769 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[C@H](C)CC)S(=O)(=O)CCC 1872166042 IZJYSQMRIYIKCA-OFNKIYASSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872447589 HSMAZEIMOSXEES-SFHVURJKSA-N 434.989 4.859 30 10 IJEE N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2cccc(Cl)c2)cs1 1872767058 RYJQGAVLFZQEHG-IEBWSBKVSA-N 435.936 4.688 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873244221 YVRWGSDAIUTLGD-CQSZACIVSA-N 447.416 4.929 30 10 IJEE Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n(/N=C/c2ccc3cc[nH]c3c2)c1=O 1873494999 JXKYHVLVAKNOJF-VULFUBBASA-N 431.565 4.900 30 10 IJEE Cn1ncc(N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(Cl)c1=O 1873525855 AYGWUCJFAUWYNO-NUGSKGIGSA-N 437.714 4.766 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873647332 WIQRCDNCEDKQJJ-HDICACEKSA-N 447.583 4.781 30 10 IJEE CCCSc1nnc(COc2ccccc2OCC)n1/N=C/c1cccc([N+](=O)[O-])c1 1874242958 HGQIAHLZJDATBU-HYARGMPZSA-N 441.513 4.548 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1C 1874365055 JBPKYKKDZAZVHW-ZVHZXABRSA-N 441.988 4.750 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2ccccc2C)nnc1C1CC1 1874517832 NIYGPQKDDIQKCJ-ZMOGYAJESA-N 438.553 4.664 30 10 IJEE COc1cc(/C=N/n2c(C)nnc2SCc2cccc(C)c2)cc(Br)c1O 1874530688 WAUCJRRPEDGULV-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2Cc2ccccc2)cc1OCc1ccc(C)cc1 1874559046 RMWCPSKERHOPTC-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(C)c(C)c2)cc1OCC 1874563329 WXAKJZHSOUIOPU-ZVHZXABRSA-N 440.569 4.832 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)c1 1874706333 BMQBGKIWLHQFBP-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)C1CC1 1875174550 XFAWERDRWVHBNL-WEVVVXLNSA-N 430.884 4.967 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccccc3Br)ccc21 1890550298 YZGLKWVYBYXPSJ-UHFFFAOYSA-N 443.341 4.568 30 10 IJEE CC(C)[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CN1C(=O)OCc1ccccc1 1892826073 RPLMVUBELCXYJF-YKSBVNFPSA-N 429.561 4.961 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1944714921 CLXJXEMZSNMGHU-RBUKOAKNSA-N 431.533 4.728 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NC 2028859905 OALXMAISINKEEP-HOTGVXAUSA-N 429.786 4.540 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)cc1 2053611372 JICZPLVHNBKPQY-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2081875849 HXYRLSSFRVYAII-SBUREZEXSA-N 449.523 4.532 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCCC[C@@H](N(C)Cc2ccccc2)C1 2169150352 KJJZVZJCGDMJSR-AREMUKBSSA-N 448.460 4.781 30 10 IJEE C[C@H](C1CC1)N(CCC#N)C(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2181044690 CLCWILRWBGIZEQ-CYBMUJFWSA-N 436.350 4.950 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(C#N)c(Br)c1 2181140256 YIXBZSFWCMHKDJ-DYVFJYSZSA-N 436.350 4.733 30 10 IJEE C[C@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)cc2Br)C1 2181140693 DDOGHVWNIQKRCC-RBZFPXEDSA-N 436.350 4.733 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1ncc(Br)cc1Cl 2197462549 ZNLJSKKBGYLWKA-UHFFFAOYSA-N 438.558 4.684 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2200684437 CMRVTRDAAWKPMR-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1ccc(Cl)cc1 2212453850 YJPLQLHURYZCHO-VGOFRKELSA-N 427.928 4.759 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2219965241 YVHLSZNMXCFLLG-FCHUYYIVSA-N 441.446 4.863 30 10 IJEE C=CCN(CC[C@@H](NCC)c1cc(Br)nn1C(C)C)C(=O)OC(C)(C)C 2224263893 YPUICNSLSPLVHN-OAHLLOKOSA-N 429.403 4.690 30 10 IJEE CCC1([C@@H](C#Cc2ccccc2Br)NC)CCN(C(=O)OC(C)(C)C)CC1 2235721649 QZSCIQUALNBMIU-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2235748154 XBSGTCGBOFLJLG-JENIJYKNSA-N 435.406 4.720 30 10 IJEE COc1ccc(C#C[C@H](O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2)cc1 2237752161 RNHWTHUGCTZZBO-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2256738323 DRUPABOVMUCKFM-ZEQRLZLVSA-N 441.660 4.986 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)[C@@H](C)CN(Cc2ccccc2)C[C@H]1C 2261825677 GRCJTRFXHIOZFG-IEMBSSLISA-N 437.580 4.778 30 10 IJEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267591857 JBVBHAJUNNRGKZ-SFHVURJKSA-N 448.397 4.846 30 10 IJEE O[C@H](C#Cc1ccc(Br)cc1)c1cc(Cl)ccc1I 2278813233 FNCZMXWHSGANNP-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296215716 CXVNPDIWFZUHDI-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2296279207 MRUORVDFRWJLAK-AZUAARDMSA-N 433.390 4.592 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296296150 KOPMHLMHPKLWIG-QXAKKESOSA-N 435.406 4.718 30 10 IJEE CC[C@H]1CC[C@@](NC(=O)OC(C)(C)C)([C@H](N)C#Cc2ccc(Br)cc2)CC1 2296304603 IVPGDWAWKBFIIF-ZWDAVXSWSA-N 435.406 4.992 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2C1=O 2296871154 YFUKHFVAVWGKQM-UHFFFAOYSA-N 430.412 4.649 30 10 IJEE COC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)SC(=Cc2ccc3c(c2)OCO3)C1=O 2297484349 URBJGOVHMKKZLF-UHFFFAOYSA-N 449.406 4.588 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2305320355 UFNZYYURDOAHMX-QFIPXVFZSA-N 438.515 4.554 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 2314475090 QBRJVGYFQAXYDQ-NRFANRHFSA-N 432.501 4.724 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 2314478106 QAZFWWFQQWSBRY-QHCPKHFHSA-N 430.891 4.913 30 10 IJEE CC#CCN(CC(=O)Nc1ccc(Br)c(Cl)c1C)C(=O)OC(C)(C)C 2316117134 PSOPFPKYWISDSN-UHFFFAOYSA-N 429.742 4.610 30 10 IJEE COc1cc(C=CC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc(OC)c1OC 2323177587 NSYWAGWHQLRZRK-UHFFFAOYSA-N 431.488 4.528 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2OC)C3=O)c1 2323792120 PHACXSMKLIDEIA-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1ccc(C(=O)C=Cc2cc(Br)c(OCCO)c(Br)c2)cc1 2323896966 YDBZLVCXKUGSFE-UHFFFAOYSA-N 440.131 4.787 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccc(N(C)C)cc2)C3=O)o1 2325382776 UZGCJOORUXEGTP-UHFFFAOYSA-N 433.460 4.636 30 10 IJEE Cc1ccsc1C=C1Oc2cc(OCC(=O)Nc3c(F)cccc3F)ccc2C1=O 2325509547 OZCXAYFIQJCVBZ-UHFFFAOYSA-N 427.428 4.968 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2F)C3=O)c1 2325575208 LOQMGAWWXZNKHK-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE Cc1c(OCCN2CCCC2)ccc2c1OC(=Cc1ccccc1Br)C2=O 2325669321 QUTFGTCCEJICOI-UHFFFAOYSA-N 428.326 4.848 30 10 IJEE COc1ccc(OCCCc2nnc(SC)n2N=Cc2c(F)cccc2Cl)cc1 2326252108 IHUZQEMDBGRRLV-UHFFFAOYSA-N 434.924 4.695 30 10 IJEE COc1cc(Br)cc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)c1O 2326392990 SAORCSIKFBIMJT-UHFFFAOYSA-N 447.358 4.546 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cc(C)ccc1O 2326539922 OKWDNQGZDBBRSW-UHFFFAOYSA-N 428.945 4.993 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc2ccccc12 2327880750 QZVNZIMKNPEKFM-LJQANCHMSA-N 435.597 4.930 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccco1 2328448553 MEDADJGVBLSVNJ-UHFFFAOYSA-N 437.456 4.684 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)cc2)n1N=Cc1cc(Cl)ccc1O 2329272062 XVSXUFIHUURDGP-UHFFFAOYSA-N 428.945 4.787 30 10 IJEE CC(C)(C)OC(=O)N1CCC(=NOC(=O)C=Cc2cccc(OCc3ccccc3)c2)C1 2329922993 IUVKLWDLNVTKJH-UHFFFAOYSA-N 436.508 4.819 30 10 IJEE COc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCc2ccccc2F)cc1O 2330844992 KXGXTBUNDMPEDO-UHFFFAOYSA-N 428.533 4.895 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccn2)c1C 2331029934 FSXLEJSCEQSGNR-UHFFFAOYSA-N 434.569 4.561 30 10 IJEE Cc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)N[C@H](C)c2ccccc2)cc1 2331472611 ICJQNCMPZSKOHH-LJQANCHMSA-N 435.597 4.637 30 10 IJEE COCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(Br)cc1 2331562856 PAWIMWKMAPUPFD-UHFFFAOYSA-N 435.322 4.501 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2ccc(F)cc2)nnc1C(C)C 2331674623 AYFQDYCUPGQYIZ-UHFFFAOYSA-N 444.532 4.741 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339535715 NXOOUVQGVZFIMB-OALUTQOASA-N 443.397 4.832 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2362703625 BHAGPGMDVQCAEX-WOJBJXKFSA-N 435.406 4.667 30 10 IJEE C=CCCC1([C@@H](N)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2365252453 CZBNVEDCSLVLDV-SFHVURJKSA-N 439.394 4.969 30 10 IJEE C=C1CC(C[C@H](OCCC(=O)O)c2sc(Cl)cc2I)C1 2366703409 CEFVBWZAPQPKKD-NSHDSACASA-N 426.703 4.895 30 10 IJEE CC1(C)OB(c2ccc(COC[C@](C)(F)C(C)(C)F)cc2Br)OC1(C)C 2381657690 AZWSQNUELYIVEX-IBGZPJMESA-N 433.142 4.741 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(CC(=O)O)cc2)cc1 13194438 JHCWJXCZHZEIRY-DEOSSOPVSA-N 441.483 4.659 30 10 IJEE Cc1cc(Br)cc2c1N(CCCOc1ccc3ccccc3c1)C(=O)/C2=N\O 39854051 UUTUNLMLTVEIQT-GFMRDNFCSA-N 439.309 4.905 30 10 IJEE Cc1csc(/N=C2/S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)n1 39865177 ABAXXJYBAKPRRN-IQLOBFSESA-N 426.479 4.854 30 10 IJEE CC(=O)Nc1cccc(C(=O)/N=C(/NCc2cccnc2)Nc2cccc(C(C)C)c2)c1 46128761 JLVXFRPCWFMASO-UHFFFAOYSA-N 429.524 4.562 30 10 IJEE Cc1occc1-c1nnc(SCC(=O)NC2(C#N)CCCCCC2)n1Cc1ccccc1 105670679 UGUMBRPEMFNGFL-UHFFFAOYSA-N 449.580 4.720 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(OC)c(OCc3ccccc3)c2)C2=C1CCCC2=O 169929993 HIKUIPNIAYSXFG-XMMPIXPASA-N 436.577 4.923 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2cccnc2)c1 169938012 DUMHANIARWCSEJ-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccc(O)cc2)cc1 169961040 SMGFEAVBBOLZTN-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@H]2c2ccccn2)c1 169990615 BKXWAMVWPKQMKN-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cc(C)ccc3C)[C@H]2c2ccncc2)c(C)c1 170025399 DOHMJCPXAZJOHT-DEOSSOPVSA-N 442.515 4.794 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCCOC)cc1 170033005 MRLQTAHRQVQHBQ-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 170071811 JPQMDAHHKYWSFE-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccs2)cc1 170157799 HLCHLIPXWJQTNE-NRFANRHFSA-N 435.501 4.857 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1cccnc1 170187831 ZULAQGCMYCLISU-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2cccnc2)ccc1OCC(C)C 170197192 JIDWMKUGARHVAH-QHCPKHFHSA-N 434.536 4.946 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccncc2)cc1C 170197941 GBSLKHWZDATCGQ-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccncc1 170204290 NZTPTPIRYIDXBM-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1C 170230829 JQCSDIIMHAXQQT-XMMPIXPASA-N 442.515 4.957 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(O)c2)cc1Cl 170259171 CYFMTXXJJBQWAF-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1cccc(F)c1 170270913 NCCYVJGUBBUQNX-QFIPXVFZSA-N 431.419 4.646 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(O)c(OCC)c2)c1 170463173 LSYIFELONFRBSJ-JOCHJYFZSA-N 449.459 4.566 30 10 IJEE Cc1ccc(CN2C(=O)C(=NNC(=S)Nc3ccc(C)c(C)c3)c3ccccc32)cc1 254304207 DAJYRBXJIKBRBJ-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCC 406599747 VQFSWELRMQSMOA-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)ccc1C(F)(F)F 409540706 HUNYKKJEXUPELV-UHFFFAOYSA-N 433.455 4.627 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)Nc1cccc(COc3ccc(CC#N)cc3)c1)[C@H]2C 439241622 XQNYELSFIABSLT-SFHVURJKSA-N 444.539 4.655 30 10 IJEE CCCc1c(NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)cnn1-c1cccc(C#N)c1 467573692 BMMWBKNAEQEDPD-UHFFFAOYSA-N 426.524 4.780 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 480227432 ZLDRGPCMEJOITP-OAQYLSRUSA-N 433.508 4.599 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)nnc1-c1ccccc1C 481385037 BWKPEPHOHMMKRY-MSOLQXFVSA-N 436.581 4.806 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)nnc1-c1ccccc1C 481385039 BWKPEPHOHMMKRY-ROUUACIJSA-N 436.581 4.806 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccccc3)c2)cc1 484780763 XCRCWRQTKLCWRO-JOCHJYFZSA-N 429.501 4.504 30 10 IJEE C=CCc1cc(CNC(=O)CSc2cccc(C(F)(F)F)c2)cc(OC)c1OC 497345445 ZEYOETOSGAZEJZ-UHFFFAOYSA-N 425.472 4.860 30 10 IJEE C=CCn1c(N2CCC(OC3CCCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 508920926 WUHJIGRETJJQDM-UHFFFAOYSA-N 432.515 4.911 30 10 IJEE CCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cn(CC)c2ccccc12 526827928 OGLMQWSQMQEUND-QFEZKATASA-N 447.564 4.776 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(C(F)(F)F)cc1 546922843 CKLCHLMDUDMEIH-HXUWFJFHSA-N 443.473 4.511 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(c2nc(C(=O)OCC)cs2)CC1 549301599 GANCZUKBBNFXBK-UHFFFAOYSA-N 443.617 4.604 30 10 IJEE C=CCCCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cccs1 549958680 SGENFJMRZXFMBY-UHFFFAOYSA-N 448.596 4.577 30 10 IJEE CC(C)(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 551830805 GJEQZGVSPVMMTR-OAQYLSRUSA-N 443.551 4.795 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 554918519 AMQHMJJBHJXPFN-UHFFFAOYSA-N 445.523 4.781 30 10 IJEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 568654167 VMTMCDCIIKGMEO-JOCHJYFZSA-N 440.494 4.598 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N3CCC(C4CCOCC4)CC3)cc2F)c1 581230126 RPASRQARPWKVPV-UHFFFAOYSA-N 437.515 4.947 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 586000750 CEIUEUDYFUPTDI-HSZRJFAPSA-N 437.559 4.627 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1 589867572 RNZINRAXRZSQGK-ZDUSSCGKSA-N 433.990 4.519 30 10 IJEE CCCCCCCCCCCCCCC/C=C/C(=O)NCC[N@@+](C)(CCO)[C@H](C)CO 642772002 HTGPYUKKIPCACT-CVIFNDSGSA-O 441.721 4.960 30 10 IJEE C=CCn1c(C)cc(C(=O)COC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1C 727533417 HRSRFONUZRQPLO-UHFFFAOYSA-N 437.565 4.543 30 10 IJEE O=C1/C(=C/c2cnn3ccccc23)CN(C2CCCCC2)C/C1=C\c1cnn2ccccc12 729644490 VUMPITDABLZJPF-HOFJZWJUSA-N 437.547 4.666 30 10 IJEE CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)Cc2cccc(C#N)c2)cs1 750429858 HDOCPXPUCTWSOX-UHFFFAOYSA-N 425.897 4.639 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN(C)c2ccc(Br)cc2F)c1=S 754748049 YHAYWTGEKXKSMF-UHFFFAOYSA-N 434.338 4.658 30 10 IJEE C[C@@H](OC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)NC1(C#N)CCCCC1 764060046 VHMHZMOECAORPM-YYTPVVGHSA-N 428.838 4.560 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)C1C[C@@H]2CCC[C@H](C1)C2NC(=O)OC(C)(C)C 795790233 AZNYZXSZFJJSQC-OIRDZHBESA-N 437.584 4.792 30 10 IJEE C=CCSc1nc2ccccc2n1CN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 808242052 QBGSBPFJVCHKOZ-INIZCTEOSA-N 437.491 4.987 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)N(C)C(=O)OC(C)(C)C)c1 829354127 LGZLYBPYQXJHMZ-GOSISDBHSA-N 433.549 4.974 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)C(C)(C)C 1129616459 QSSSEBUUXQJEJI-LJQANCHMSA-N 427.342 4.788 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 1136452465 YVJFJVGVWGUTKM-LJQANCHMSA-N 432.486 4.912 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nc2cc(Br)ccc12)C(C)C 1144197887 MZCMHHHLPUVGQT-OAQYLSRUSA-N 430.390 4.734 30 10 IJEE C=CC[C@H](C)NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1146832217 DHGRYTIVDJBNTK-ZDUSSCGKSA-N 432.446 4.515 30 10 IJEE C=CC[C@]1(C(=O)N2CCCN(c3ccccc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1157213749 ZWQVDGSTICSEOA-XMMPIXPASA-N 448.007 4.725 30 10 IJEE CCOc1cccc(N2CCC(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)n1 1159320621 CKHHVBUDSWPAQZ-UHFFFAOYSA-N 442.519 4.543 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 1160487861 IETBGJRGFXIABF-SFHVURJKSA-N 440.569 4.581 30 10 IJEE C=CCn1c(SCC(=O)c2ccccc2F)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164418418 LFQGYOYOCZUXBU-ZDUSSCGKSA-N 428.554 4.883 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)CCc2ccc3c(c2)OCO3)cc1OC 1177529652 SBOBZLLNDVCUJL-HNNXBMFYSA-N 448.357 4.862 30 10 IJEE C#CCOc1ccc(Br)cc1CNC1CCN([C@H](C)c2ccccc2)CC1 1177875790 RZQHXJFHELZTNS-GOSISDBHSA-N 427.386 4.776 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(Oc3c(OC)cccc3OC)CC2)cc1OC 1179997844 YWRKUZJZBLVTHB-UHFFFAOYSA-N 447.959 4.974 30 10 IJEE C=CCn1c(SC/C=C(\C)C(=O)OC)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1188129898 WLASKPXCUBHQNF-JLHYYAGUSA-N 444.553 4.970 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(Br)c(C)c2F)cc(OC)c1OC 1204479237 WGOIXVYWEURGDA-UHFFFAOYSA-N 437.309 4.964 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 1219084604 SLQFPVAGCGKDBN-ZDUSSCGKSA-N 443.301 4.947 30 10 IJEE N#Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc1Cl 1226609579 DJUONPZJWDPNGI-FQEVSTJZSA-N 431.367 4.719 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)c1 1264714430 QKGZUBBRGNBTBC-UHFFFAOYSA-N 448.526 4.506 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C(C)C)N1CCCC1 1286453407 SHEUXMWVZSZEFF-NRFANRHFSA-N 446.064 4.804 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C1CCC(C)CC1 1286500464 UETHFFJCXHAWQU-UHFFFAOYSA-N 434.556 4.928 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCCN(C(C)(C)C)CC1 1286669370 CZRHWHJKUNVOGU-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccc(C)s1 1286686196 CKQIODBNMTZRDK-UHFFFAOYSA-N 434.569 4.957 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(N2CCSCC2)CCCC1 1286724579 PGOBYFJQWKXRPP-UHFFFAOYSA-N 446.064 4.506 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1scc(C)c1I)c1ccccc1 1289586985 OZYQCKCTPLEFQM-NRFANRHFSA-N 431.320 4.514 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1OC 1294551906 BCEGDRASHHGRIP-XAUSJYSNSA-N 446.591 4.786 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(c2ccccc2)CC1 1300386421 OSESACJCJLHLAV-UHFFFAOYSA-N 438.373 4.833 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1C(F)(F)C12CCC2 1300603064 WXRSVEXHCLQRNX-UYAOXDASSA-N 428.527 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCCSCC(C)C 1300805980 MSMGHGVKVOGPQO-ZJSXRUAMSA-N 440.613 4.562 30 10 IJEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](SCC)C1)c1ccccc1 1301010068 SDTKWNIKAPCOIC-VXKWHMMOSA-N 426.630 4.998 30 10 IJEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](SCC)C1)c1ccccc1 1301010069 SDTKWNIKAPCOIC-YADHBBJMSA-N 426.630 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301143068 CSDMLUXYPRWNGM-DYLHXGEVSA-N 438.616 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1301145612 BIJIZEVEGUDYJC-QFIPXVFZSA-N 437.563 4.965 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(F)(F)F)C1 1301178006 CWRBFBKQWJSPQT-KRWDZBQOSA-N 436.478 4.851 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1301211807 NBAAAKOTTVINIF-OAQYLSRUSA-N 446.599 4.592 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1Cc1noc2c1CCCC2 1301342092 YHCQRVBXZCTTFQ-GOSISDBHSA-N 430.556 4.771 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1301436283 YXZZIOUUEHLVGL-MRXNPFEDSA-N 447.402 4.823 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCCC2(C)C)C1 1301547387 ZGJROJYTPZOXLA-AZUAARDMSA-N 440.588 4.570 30 10 IJEE C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1303667847 JUPAPAJRPYSIDR-GOSISDBHSA-N 444.583 4.595 30 10 IJEE CN(Cc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1)C(=O)OC(C)(C)C 1308410394 HMLNKIUOEAEGDH-UHFFFAOYSA-N 446.555 4.838 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2cc(C)c(C#N)cn2)c2ccccc2Cl)c(OC)c1 1311070090 HLCJVGUKFCKYFB-JOCHJYFZSA-N 436.899 4.843 30 10 IJEE C#CCN(C(=O)NCc1cc(Cl)ccc1Oc1ccc(C)c(C)c1)C1CCN(C)CC1 1313217910 AWIUPHCOUMJUKG-UHFFFAOYSA-N 439.987 4.988 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OCC)OCC 1349921403 HYYRJBLDEFNTON-QGZVFWFLSA-N 444.553 4.795 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)c3cccs3)cc2C1=O 1350606462 FQCMTOLUCRLHGT-HXUWFJFHSA-N 436.920 4.703 30 10 IJEE C=CCc1ccc(OC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)c(OC)c1 1351409625 YXLURKXKNMEIBW-SILNSSARSA-N 444.516 4.742 30 10 IJEE CCCC[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 1357684574 BPFCUYDADNMLDZ-QFIPXVFZSA-N 438.959 4.739 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@](C)(OC)C1 1358908621 DRKVPJMVLGVDHT-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@@H]1C(C)C 1358940134 OOLRKBXMMKJOSC-VQTJNVASSA-N 435.597 4.508 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](C(C)C)N1CCCC1 1359115413 XYSWHKVFCAVDCB-DEOSSOPVSA-N 434.632 4.873 30 10 IJEE C=C(C)Cn1c(N(Cc2ccco2)C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359124961 KRXZRODXZFWZDF-HDICACEKSA-N 429.565 4.633 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(OC)C1 1359128279 PBTHBLHRJVRKSM-KOSHJBKYSA-N 444.645 4.729 30 10 IJEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCSC(CC)(CC)C1)c1ccccc1 1359139267 PSYIVNBQCZAKHE-OAQYLSRUSA-N 426.630 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1359184884 DMYMFGDAIVYOEA-LJQANCHMSA-N 429.996 4.991 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1359185343 SXFUPQKQJJMVGQ-PMERELPUSA-N 426.586 4.823 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359199761 GXLQTQQUQVHRFJ-JOCHJYFZSA-N 437.632 4.995 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1359202218 NCBIFNYEBCYZBO-MOPGFXCFSA-N 434.588 4.656 30 10 IJEE C=CCCCCn1c(N(C)C2[C@H]3CCC[C@H]23)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359206923 TUJGKCBJZAOFRU-RDGPPVDQSA-N 429.609 4.640 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCCC[C@@H]1C)C1CC1 1359252088 DYGGKHQGKUZIMM-IBGZPJMESA-N 428.024 4.942 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1Cc1csc([C@@H](C)OC)n1 1359260291 ZBNSPWDLZHININ-MRXNPFEDSA-N 429.565 4.945 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(F)(F)F)C1 1359339719 OWLZBRGUKYICBF-INIZCTEOSA-N 426.508 4.652 30 10 IJEE C=CCc1cc(C(=O)n2cccc(Br)c2=NCCCCC)cc(OC)c1OC 1360758540 BOGAAQVSENXQLF-UHFFFAOYSA-N 447.373 4.776 30 10 IJEE O=C(OCc1cccc(F)c1OC(F)F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 1437856942 CBJZTOIJLPPMFY-UHFFFAOYSA-N 449.282 4.523 30 10 IJEE C=CCn1c(SCC(=O)N=[S@](C)(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 1439423397 HVHDLHDXKKRGKJ-GDLZYMKVSA-N 446.985 4.560 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)CCOc1cccc(I)c1 1448921088 KWJPBOHJLFADGI-UHFFFAOYSA-N 435.305 4.665 30 10 IJEE Cc1cc(Br)cc2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)oc12 1456063057 DGLUVRVVEHPTLA-UHFFFAOYSA-N 440.341 4.579 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1F 1460790029 QKMWBXZHXRGFDR-XZOQPEGZSA-N 434.898 4.831 30 10 IJEE C#CCCS(=O)(=O)N(C)Cc1ccc(Br)cc1Oc1cccc(Cl)c1 1464548877 GOBUNCFKHYHFAB-UHFFFAOYSA-N 442.762 4.680 30 10 IJEE C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 1464992219 AOYZZQFFCAWHOU-NSHDSACASA-N 434.355 4.781 30 10 IJEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1n1cccn1 1465590964 DARBTMBTIJVGGW-ZLNRFVROSA-N 445.523 4.866 30 10 IJEE C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1467613149 GYPVEYBBFVYZPV-KUHUBIRLSA-N 436.408 4.817 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl 1468847143 CUGTUUQDFDZWOU-DEOSSOPVSA-N 434.923 4.949 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1477447544 ATNDPIWENZQIIB-UHFFFAOYSA-N 428.455 4.803 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(Cl)cc1 1477908003 VUTBICSNUANUPT-WOJBJXKFSA-N 435.877 4.607 30 10 IJEE C#C[C@@H](NC(=O)N[C@]1(C)CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(F)cc1 1478893118 BOUAQQAPBOPRAP-ZRRKCSAHSA-N 441.550 4.858 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1c(F)cccc1OC 1479440640 HIFDXQARPOIVMT-UHFFFAOYSA-N 425.273 4.634 30 10 IJEE COCCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1504764537 AYNHSDRVXKNZTP-JOCHJYFZSA-N 431.943 4.637 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H]1CCO[C@H](C)C1 1507523927 SPCWRYMCGSNEBN-INDMIFKZSA-N 426.630 4.795 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1noc2c1CCCC2 1507542983 NMOHZIVEWLUOLM-IBGZPJMESA-N 447.583 4.662 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CCCCC2)CC1 1507575938 HPRWEAXWTURIDW-UHFFFAOYSA-N 429.971 4.606 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1sccc1C 1507707718 ZRZVUOUGVQMVLB-INIZCTEOSA-N 440.638 4.636 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)Cc1cc(C)cs1 1507745905 GPCKHUYFDPNJNO-KRWDZBQOSA-N 444.601 4.930 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1507755476 VDUPJMXAHULSLA-UHFFFAOYSA-N 436.625 4.995 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCCC1(C)C 1507762172 QEEQCZBNAURPSE-DHIUTWEWSA-N 430.955 4.671 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507791553 ZRHJMIXZOSJMFU-RUYXUALKSA-N 431.378 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC(C)=C(Br)C1 1507794564 HZNHSSVGPWUWLJ-QUCCMNQESA-N 443.389 4.805 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CC(CC)(CC)SC)CC1 1507891448 AIOOQIQFQNIMMM-UHFFFAOYSA-N 430.618 4.944 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](CCC)OC)CC1 1507899838 VZCVDIBERAURFX-QGZVFWFLSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@@H](SC)C1 1507925436 CBPJFKWVQJHDMC-LJQANCHMSA-N 428.602 4.795 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1508154405 WMDMOFHPZUZERJ-FYYLOGMGSA-N 449.624 4.863 30 10 IJEE CC[C@@H](C)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1)OC 1512749728 AWRDAXHFCLFRBQ-JPYJTQIMSA-N 448.571 4.791 30 10 IJEE CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 1521285325 FSDPDXZRLKXJNS-SANMLTNESA-N 439.559 4.874 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(C(F)(F)F)cc1 1526561837 SYDRHZNGHZCLDP-WIYYLYMNSA-N 441.453 4.754 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c1 1527975464 SOCSQJKSLMMRHX-UHFFFAOYSA-N 442.515 4.843 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cc2cccnc12)c1ccc(Br)cc1 1528497148 JYMDJCPXULCFSQ-KRWDZBQOSA-N 444.126 4.864 30 10 IJEE C=CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 1530258585 XAFIOQQGTIGKPQ-HSZRJFAPSA-N 426.582 4.938 30 10 IJEE N#Cc1ccc(NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)cc1C(F)(F)F 1532867626 IDQQLIWZISHZRN-UHFFFAOYSA-N 440.212 4.776 30 10 IJEE C=CCC1(C(=O)N2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)CCOCC1 1534998943 ZYHGOOGENHGFDJ-OAHLLOKOSA-N 437.353 4.667 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccccc2Sc2ccc(S(=O)(=O)CC)cc2)CC1 1537357379 TXPRRYIJFPBQFF-IYARVYRRSA-N 427.591 4.553 30 10 IJEE C#CCOc1cccc(NC(=O)c2c(-c3ccc(Br)cc3)noc2CC)c1 1537950091 SOHBEKBOGICLOA-UHFFFAOYSA-N 425.282 4.931 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(I)c(F)cc1F)c1ccc(F)c(F)c1 1538996245 MZQCTODWTOOVGV-MRXNPFEDSA-N 449.185 4.895 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1CC 1539065974 OAVCLSXWUQVYTG-PWRODBHTSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCC1(C)C 1539301304 OCKPRRFWDIQONO-IBGZPJMESA-N 439.401 4.997 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1539693141 AKIFKLHSSCQATF-QGZVFWFLSA-N 430.961 4.823 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(Br)s1 1539696604 JCTJEJPJBOSQJZ-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CCC 1539759605 JABJXAAPTSXFBH-MOPGFXCFSA-N 435.613 4.568 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC(=O)NC(C)C 1539988910 JOLFYWOOLVXSNH-UHFFFAOYSA-N 441.576 4.740 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@](=O)CC)C1CC1 1540095397 PHUPOMQTMMRZBO-MUUNZHRXSA-N 435.018 4.737 30 10 IJEE Cc1nc(C2CCCCC2)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1540549991 FCYDJFVUTYFZIX-HXUWFJFHSA-N 426.561 4.661 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1)C1CC1 1541510700 GSIIRHYPAIZUAG-FQEVSTJZSA-N 427.643 4.680 30 10 IJEE Cc1n[nH]cc1CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1542053494 DYZFNQAMUMEFFT-HOTGVXAUSA-N 437.617 4.534 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(Br)cc2nc(O)[nH]c12 1543399747 GCHJJRFNLMXQLE-SNVBAGLBSA-N 431.315 4.678 30 10 IJEE COC[C@@H](NC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)[C@@H]1CCCO1 1562953089 BGCPBORCPNVMFG-MOPGFXCFSA-N 431.945 4.678 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1 1564505789 LXPIEMNNCRNCGA-LEWJYISDSA-N 429.923 4.981 30 10 IJEE C#C[C@H](CCC)NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 1583570342 CGVBXUJRUHMRSO-HXUWFJFHSA-N 438.531 4.936 30 10 IJEE C#CC[C@@]1(C(=O)N(CC)Cc2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1585895967 OCRINXHMINECRV-QFIPXVFZSA-N 449.389 4.591 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](c1cccnc1)C(C)C 1587663226 VCICCOHVRLUULM-OFNKIYASSA-N 426.568 4.574 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)[C@@H](C)CC 1587909394 JYQLOGPUDPQPPM-IUKKYPGJSA-N 432.996 4.555 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Sc2nccn2C)cc1 1588123691 BARFBWJWBNCBOY-UHFFFAOYSA-N 431.521 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1589142483 IIMCWGNWOAFBDV-YDIMBITNSA-N 441.620 4.573 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccnc(OC2CCCCC2)c1 1589668848 DKTPMPNGJUCUKJ-UHFFFAOYSA-N 446.599 4.821 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1594128780 WEEGDWILRNCGNA-BKMJKUGQSA-N 437.632 4.832 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[C@H]2C[C@H](F)C2)CC1 1594134768 WLQRPMGYZLBDAB-FHWLQOOXSA-N 433.572 4.645 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1595044048 MKZCAUGUWKPXSM-KRWDZBQOSA-N 443.567 4.742 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@H]1CCCN(CC(C)C)C1 1595094660 VXRJDGDTUWZNBP-QHCPKHFHSA-N 432.616 4.588 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1595109161 URRGOESBOHEEKP-IBGZPJMESA-N 435.538 4.652 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCC(F)(F)C1 1595251537 UOLQIMLXJKEVOI-GOSISDBHSA-N 442.514 4.779 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1595884427 LPCOIKBYYIBBPH-HNNXBMFYSA-N 427.039 4.689 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2sc(C(=O)OC)cc2c1 1603122058 DBQSPAUTVMLDCT-INIZCTEOSA-N 432.542 4.876 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 1617339436 WKWGGBMNIZIKNI-DEOSSOPVSA-N 446.453 4.586 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCc3ccc(Cl)cc32)nnc1-c1ccco1 1623654745 PKTDTNVKOLRVQK-QGZVFWFLSA-N 428.945 4.663 30 10 IJEE CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)c(F)c1 1624351469 DWXOARSBHLONTG-UHFFFAOYSA-N 437.496 4.768 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)cc1OC 1624683325 AJHJGBXZHAOWNF-UXBLZVDNSA-N 437.414 4.862 30 10 IJEE C[C@H](NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 1625326876 BPHUPDMJEZBUFO-HRAATJIYSA-N 433.508 4.618 30 10 IJEE C#CCN(C(=O)Nc1cccc(F)c1C(C)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1627105133 OXLYZPWWJLIWLP-UHFFFAOYSA-N 439.478 4.804 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 1627848526 OZZBDIMZQXDJSK-UHFFFAOYSA-N 427.529 4.569 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1 1636026958 SGINXCZRTSTTGE-MRXNPFEDSA-N 440.924 4.975 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1637540484 XSIWHIYPLUZBPN-HOTGVXAUSA-N 435.531 4.714 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3ccc(C(C)C)cc3)CC2)c1 1638010041 SSUMCRYRKXVCOP-UHFFFAOYSA-N 437.605 4.702 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2c(F)cccc2F)CCC1 1638096826 AUGUCQXWDQRBNZ-MRXNPFEDSA-N 428.907 4.539 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12 1640689821 DILLTIMRGJHMGQ-UHFFFAOYSA-N 430.308 4.813 30 10 IJEE C=CCn1c(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O 1643438760 SODQBIKKOGTFTO-JCMHNJIXSA-N 431.561 4.555 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCCC2)C1 1649591872 GNAHSPVWEQDNHA-HSZRJFAPSA-N 434.632 4.954 30 10 IJEE C=C(C)[C@H](CO)Sc1nnc(COc2ccc(OC)cc2)n1-c1ccc(C)c(Cl)c1 1652358522 XDJCEFILBUBOCP-FQEVSTJZSA-N 445.972 4.846 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCN(Cc3ccccc3)[C@@H](C)C2)n(C2CCCCC2)c1C 1654722499 CCRFOVNAJYDZJP-FQEVSTJZSA-N 447.627 4.627 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccn(CC(F)(F)F)n2)cc1OCC 1655956228 CQSQURMKDFQJDN-UHFFFAOYSA-N 434.256 4.784 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)c(F)c1 1656373787 FXKRJRUUBZQLMC-UHFFFAOYSA-N 442.244 4.665 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1 1666343201 WBZDTBPSNDWYIF-RTBURBONSA-N 429.561 4.752 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 1667015087 FEONCUQJVDLGIF-DHWLSRIRSA-N 438.597 4.789 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 1669171436 DCJHHHABEXPKKY-QFIPXVFZSA-N 426.476 4.649 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 1673582338 XBCFFKYYFVELEJ-WWNPGLIZSA-N 427.589 4.606 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2n1 1674576201 DTOQMJLOGNGGSC-UHFFFAOYSA-N 440.429 4.749 30 10 IJEE C#C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)C1 1676572757 WIHLXVZAKDLICT-UGKGYDQZSA-N 445.563 4.762 30 10 IJEE C#CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCc2ccccc21 1682076854 SUVYEAQGFIUVLO-HXUWFJFHSA-N 431.414 4.836 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1683451104 GQKYLCMMLSIIAS-KOUNCHBCSA-N 427.589 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccco1)N1CCCCC1 1689842480 BBRBPVDVYFVUOF-WIYYLYMNSA-N 437.975 4.877 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1690195818 PXKKISHZTIMKPD-DNQXCXABSA-N 438.959 4.708 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccccc1C 1690227536 BINGUAHKYOZHPF-IEBWSBKVSA-N 431.378 4.731 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)(C)C)C1 1690284613 MGAWCIYRGIVLOD-GOSISDBHSA-N 434.588 4.684 30 10 IJEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1690308187 FBHRNSPTNKKEFX-UHFFFAOYSA-N 447.583 4.569 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2=CCCOC2)CC1 1690396716 KHVQTPLAZQZMDZ-IBGZPJMESA-N 438.572 4.566 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1690487924 HWSSSOOPLTYBQP-OAQYLSRUSA-N 441.938 4.601 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCc1c[nH]nc1C 1690515939 XPVBSCDYBAAWRC-SFHVURJKSA-N 442.995 4.975 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)nc1 1690604275 REXWWQHUZXTUAL-OAQYLSRUSA-N 437.975 4.504 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N(C)CCC(F)(F)F)cc1 1690679919 CLZNOXOAHRKGAV-UHFFFAOYSA-N 436.503 4.932 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2csc(C(C)(C)C)n2)C1 1690690105 RHVIOPOECPSSHT-SFHVURJKSA-N 441.601 4.625 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1690697637 ZKIGCVWNEHPRAI-KZNAEPCWSA-N 435.494 4.723 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@](C)(OC)CC1 1690749985 WAZCJNWLTOCZAU-XMMPIXPASA-N 439.629 4.665 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2ccc(OCC)cc2C1 1705700918 AGEVOVHGMOPDMV-GBXCKJPGSA-N 438.616 4.809 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1705703996 XXTNXPUAQPIAHC-XUZZJYLKSA-N 433.600 4.889 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1705784887 NGGBQRPBQHJAKY-HSZRJFAPSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(COc2ccccc2)CC1 1705789777 WYPUHUYTVKUXHM-UHFFFAOYSA-N 434.588 4.576 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 1705809728 APFYELLMEPRKFC-FGZHOGPDSA-N 429.653 4.618 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C1CCCCC1)N(C)C 1705835799 UQKQWPMISCKLEI-HXUWFJFHSA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1cccs1 1705861220 XWBBRSGAWBSZED-RUZDIDTESA-N 449.624 4.900 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC(n3cc(Cl)cn3)CC2)cc1 1705909636 CLIBKPOAOWIYMH-UHFFFAOYSA-N 440.979 4.706 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCSC2)C1 1705921243 OJUYLLZNELRROT-AEFFLSMTSA-N 449.020 4.532 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)C1 1706434958 BAFKHOPKTDTSNA-SFHVURJKSA-N 449.628 4.886 30 10 IJEE CCc1ccc(Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)C[C@H](C)C#N)s1 1708930424 HDPKXBLQGMLQBW-MRXNPFEDSA-N 431.569 4.603 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@H]1CCCCO1 1712792737 CGFKVEJWSBEUJE-GHTZIAJQSA-N 427.618 4.744 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCCC1 1712886690 BCPIHSQZJDCQDY-UHFFFAOYSA-N 434.371 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC[C@@H]1CC 1722283574 GFUHYVIJXFTSBM-WMZOPIPTSA-N 434.415 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1722298347 BLTWALFYHOFJSL-BJLQDIEVSA-N 434.506 4.992 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Cc2ccc(F)cc2)CC1 1722303703 QXFLLRIYGZJWGJ-VLCRHTCISA-N 438.591 4.817 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722310466 KMDCGUSQSJKEJO-DHLKQENFSA-N 433.644 4.934 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccsc1 1722333074 HBXSOBQLTAOOSW-UHFFFAOYSA-N 443.617 4.504 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCSC(F)(F)F 1722418357 NVUGLUUCLBIYAX-UHFFFAOYSA-N 438.450 4.878 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1722479112 FNUMGSVFCQPZIL-OAHLLOKOSA-N 448.340 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1722583664 QIKQXXKLELHVPJ-QUCCMNQESA-N 442.007 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(C)OC[C@@H]1C 1722584584 GDABULXUOGZHJB-AWEZNQCLSA-N 436.398 4.642 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722605338 DIRVDOPKSCNHCU-UHFFFAOYSA-N 441.645 4.516 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1csc([C@@H](C)OC)n1)C1CC1 1722645664 VICZHGFIHPQCJJ-CQSZACIVSA-N 429.977 4.966 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCSC(F)(F)F 1722667747 PXONXEVEDNKTLU-UHFFFAOYSA-N 439.507 4.579 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722684587 GGJZEARMBGZXCG-NRFANRHFSA-N 437.632 4.867 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2CCC[C@H](C)C2)C1 1722713422 BHJAOIFZIUHIED-RBBKRZOGSA-N 437.632 4.545 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722734688 ILPFAMDMGNYOGE-QHCPKHFHSA-N 430.618 4.514 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CC2CCC(F)(F)CC2)C1 1731180294 AAHJDBBZRZQXPR-JOCHJYFZSA-N 431.506 4.721 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(C)C)C1 1740568760 OULJEMCCMASCEE-FQEVSTJZSA-N 445.405 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)CC1CCC1 1740766035 FWBUULCAQRRHPE-XXBNENTESA-N 428.552 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCCC1(C)C 1740766807 LTHLZUBEAPYWAC-MHECFPHRSA-N 430.568 4.901 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1740789339 CHZMFKMZMQQHCB-DWLFOUALSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1740789888 MPKQXKBISXEONM-MOPGFXCFSA-N 428.577 4.568 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)Sc2ccccc2)CC1 1740835541 GSNOLRBOBFTZLA-DVECYGJZSA-N 442.629 4.513 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H](C)N2CCCCC2)CC1 1740839067 AFXQDKCYUHWXOG-IBGZPJMESA-N 443.586 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740851224 RDNUJZFOBUSHGY-QAPCUYQASA-N 440.485 4.766 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1740856278 ZWARPNLIBJWHAK-HSZRJFAPSA-N 441.583 4.768 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1740883650 BOYCHHYBCWGKIZ-IBGZPJMESA-N 425.533 4.605 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740903635 GAGCRKWOHBVTCS-KRWDZBQOSA-N 437.613 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)C(=O)NC 1740922877 VTGAZBNBFLRMLA-UHFFFAOYSA-N 437.613 4.534 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740923469 MPUXGZCQUWBONN-UHFFFAOYSA-N 444.914 4.549 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1SC 1740937783 OQTKIZFUFGGTRO-UHFFFAOYSA-N 446.580 4.642 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)C1 1741489760 APFZJKFWVFFIKE-JTHBVZDNSA-N 434.632 4.810 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCCC2)C1 1741490953 ICUUVDKSSLJUKC-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1748724460 SULAGIQRGBLCMK-UHFFFAOYSA-N 449.643 4.732 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](COCC)C1 1748734362 FKMLXRMFQHCSOS-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](OCCC)CC1 1748761499 ZWZWIKCMAYVQDW-FQEVSTJZSA-N 430.980 4.709 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1748892633 TXIWAJKMKAJKJX-NOZRDPDXSA-N 445.655 4.630 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1C[C@H](C)c1ncc(C)s1 1748944278 RTBKPSOMGSWUAX-KRWDZBQOSA-N 446.555 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(CC)C(C)C 1749058397 HJAGHYOHRSCJMJ-RUZDIDTESA-N 439.673 4.998 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(F)(F)CC1 1749215808 GJYBJDGJWXEXQC-MRXNPFEDSA-N 436.572 4.960 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCCN2CCC)CC1 1749343936 VJODWTKBGIZDTK-HSZRJFAPSA-N 437.632 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1749359226 WFXIJDKEJDZRFJ-UHFFFAOYSA-N 444.583 4.798 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)c1ccccc1 1749382501 NCHXHOSZARJMNN-RQNQAMLKSA-N 448.615 4.637 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(CC)C1 1749424866 QDSNAUCFZSXWDA-VWLOTQADSA-N 434.588 4.829 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccoc1C 1749452330 WFVSUQYMOSVZCK-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCn2cc(C)nc21 1749466343 OZUGYOCGHIUQEW-ZWKOTPCHSA-N 440.979 4.776 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCC2)n1CC(C)(C)N1CCC(OC)CC1 1749538823 MXWBETBNJDPKQM-UHFFFAOYSA-N 437.632 4.628 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CCN(C)C1CCCCC1 1749540969 HWKIQSKCPSWAPX-UHFFFAOYSA-N 448.590 4.936 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CC1CCN(CC(F)(F)F)CC1 1749571146 HYTOAGIHUYIFIM-UHFFFAOYSA-N 437.485 4.537 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1cccs1 1749590941 JTABRMKJZUTUKA-QHCPKHFHSA-N 428.602 4.664 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1749753942 CXACIZXUIBHBNU-QFIPXVFZSA-N 435.597 4.604 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCN(C)C1CCCCC1 1760097850 KZZZZBYREUMSEM-WOJBJXKFSA-N 441.595 4.670 30 10 IJEE C=C(C)Cn1c(N2CCC(C(=O)N(C)CCCC)CC2)nnc1C1(c2ccccc2)CCC1 1760349138 AWNXSYYKUJPIIA-UHFFFAOYSA-N 449.643 4.799 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)CC1 1760386983 CGCDIGGRYJTUSP-IBGZPJMESA-N 447.624 4.760 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C)CCOCC2)CC1 1760396705 IFSAMSGNGLUESH-SFHVURJKSA-N 428.552 4.776 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1760403608 ZQHANUOYAMHYKG-NZQKXSOJSA-N 438.616 4.875 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C2CC2)C1 1760407543 HAMAESGTIXFOKO-LJQANCHMSA-N 442.007 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](C)C1 1760416115 VCIXUHWXGXAWAU-QZTJIDSGSA-N 430.618 4.795 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1)c1ccccc1 1760420598 RIKCXUYCDWTFHY-GMAHTHKFSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC2(CCCCC2)C1 1760421623 VPPSYXQOAFNBEJ-UHFFFAOYSA-N 440.617 4.538 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1760422314 FHPSLNFRABRIBU-UHFFFAOYSA-N 433.556 4.555 30 10 IJEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760437179 UPARFADDLIXZQW-UHFFFAOYSA-N 432.475 4.895 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1Cc2ccc(Br)cc2C1 1760452214 ICJXZAZQOUUUAP-UHFFFAOYSA-N 445.405 4.886 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1760486492 PVFJNYNVCFAIMM-UHFFFAOYSA-N 441.645 4.838 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCSC1(C)C 1760490456 XJLAFZNGJCDDLJ-IBGZPJMESA-N 439.629 4.857 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H]2CCN(Cc3ccccc3)C2)cc1OC 1772569596 COMYEHWWQUOCJI-LJQANCHMSA-N 445.401 4.634 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)cc1Cl 1858840989 CUOQHEVXUWRMBC-OAHLLOKOSA-N 449.898 4.965 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432443 FAAANNSFFLJSHY-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862451908 QCGLNQNHFRWRDG-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2F)ccc1O 1862481014 UWQHCECSOTXFHZ-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 1862498702 ODZCEJGITBEGON-BFUOFWGJSA-N 434.319 4.569 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2c(c1)CCCN2C 1862554122 VUKGFYPUQDNMGR-DEOSSOPVSA-N 430.548 4.546 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(Cl)cc1 1862556665 BWGRJZKSOCTUEL-OAQYLSRUSA-N 442.943 4.707 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(Cl)cc2)c1 1862556789 FGSRZTZQSQDPQB-HXUWFJFHSA-N 438.936 4.805 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1F 1862628099 VPYDXTZWWWRAJM-OAQYLSRUSA-N 443.446 4.852 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1cccc2ccccc12 1862652018 DKRSCECTXWVZSJ-NSYGIPOTSA-N 437.495 4.952 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862678438 NYBVEZNYVYPPBH-FQEVSTJZSA-N 425.456 4.683 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(O)c(O)c1 1862725521 KWQUJQJEABDXJN-QHCPKHFHSA-N 427.456 4.529 30 10 IJEE COc1ccccc1C1=C(Nc2cccc3c2CCCC3)C(=O)N(c2cccc(C#N)c2)C1=O 1863060655 YTITYAUXEOVBOX-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE CCCCCCCCN1C(=O)C(NCCC(C)C)=C(c2ccc(OC)c(OC)c2)C1=O 1863521159 YCZISJDIOFUBMP-UHFFFAOYSA-N 430.589 4.780 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccccc1C 1864999500 VWUFPZBWWDOGQI-NRFANRHFSA-N 438.616 4.852 30 10 IJEE N#Cc1ccccc1Nc1cc(N2CCO[C@H](c3ccccc3)C2)nc(-c2cccnc2)n1 1868572194 HKUDHZPPLIPWGM-QHCPKHFHSA-N 434.503 4.732 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C 1868709943 QBHXHIPCJFVVTH-FGZHOGPDSA-N 446.657 4.572 30 10 IJEE CCCOc1cn(Cc2ccc(O)cc2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870181801 VKQHSCAWJZNHCF-UHFFFAOYSA-N 449.576 4.875 30 10 IJEE CCCCN(C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(C)cc1 1870350431 FXLJFECXSNYKME-UHFFFAOYSA-N 429.564 4.888 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CNc1ccccc1C(C)C 1871193546 YRIUMQSCLGVPDT-UHFFFAOYSA-N 449.526 4.926 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 1871453954 AICIZJSOAYUHFJ-OYKKKHCWSA-N 429.472 4.891 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(F)cc2)nc(Nc2ccc(Cl)cc2C)[nH]1 1871569017 IOVHXHRPYBDIFQ-UHFFFAOYSA-N 438.938 4.929 30 10 IJEE C=CCN(CC=C)c1nc(=Nc2ccccc2OCCCC)nc(N(CC=C)CC=C)[nH]1 1871734375 UNYJLVZXXJXLRD-UHFFFAOYSA-N 434.588 4.573 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)c1cccs1 1872277065 GTVRLPHFSYKHCB-SFHVURJKSA-N 440.590 4.543 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C)S(=O)(=O)CCCC 1872354467 LBERCGACOQUOAD-SFHVURJKSA-N 434.524 4.677 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1CC)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872467433 DWIZITRDGLQLPZ-QHCPKHFHSA-N 428.598 4.706 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872557058 VYDFMMHFGTTXOT-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE N#C[C@H](C(=O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Cl)s2)cs1 1872789278 DBJSAKOZIBYOCV-LLVKDONJSA-N 440.937 4.571 30 10 IJEE CCCCCCCCN1C(=O)C(NCCc2ccccc2)=C(c2cccc(OC)c2)C1=O 1873042474 ZEZNSVOAPRSTPT-UHFFFAOYSA-N 434.580 4.968 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(SC)c2)=C(c2cccc(Br)c2)C1=O 1873228693 XVJNRVCYKIBUSL-UHFFFAOYSA-N 429.339 4.549 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(OC)c(Cl)c1)n2CC 1873656067 LDGPWGQPMJGDPP-UHFFFAOYSA-N 425.920 4.544 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874279823 SPXVOKDKWHQMBK-OEAKJJBVSA-N 426.929 4.575 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1/N=C/c1cccc(Br)c1 1874288526 KDVXPLJBJWGLSL-CIAFOILYSA-N 447.358 4.622 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874366918 BBFGDODBNDEOHY-FOKLQQMPSA-N 444.944 4.872 30 10 IJEE CCCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(OCC)c(OC)c1 1874377006 ZSYJXTQEPWIMBF-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccco1 1874427932 IXAIAZPNJOLATL-ZVHZXABRSA-N 431.521 4.768 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)cc1O 1874445796 LBPXPVHNILMWKA-DOUQRPAJSA-N 444.944 4.672 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2[C@@H]2CCCO2)cc1 1874447888 OEYGBZSSEZMBOJ-XAOCGEIJSA-N 449.580 4.613 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)cc1 1874465578 PVWKDFHXLNVWRP-AFUMVMLFSA-N 449.511 4.853 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c(Br)c1OCCO 1874593243 ZNESEZORHRALJB-CSKARUKUSA-N 431.326 4.604 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1Br 1874609439 RENSFKKGHOYYQG-ONNFQVAWSA-N 433.298 4.686 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 1874625674 QMAYBQMRMMBXSG-ODHXBGJQSA-N 433.479 4.987 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC(=O)c1ccccc1 1875084951 IFDDTHRTGGDREJ-VAWYXSNFSA-N 433.416 4.727 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)c1 1875103164 YDMSPEMAEISCGD-YRNVUSSQSA-N 442.467 4.957 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cnccn1 1875122233 JFEJWJIYMYBLHP-VMPITWQZSA-N 436.414 4.607 30 10 IJEE Cc1ccccc1-c1nc(C)c(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)s1 1890602488 ACNGMLQZTFWKHT-LJQANCHMSA-N 432.549 4.625 30 10 IJEE N#CC1(c2ccccc2)CCN(C(=O)c2ccc(Br)cc2Br)CC1 1890950897 LHHOEUYMJIIVQA-UHFFFAOYSA-N 448.158 4.909 30 10 IJEE CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C#N)(c3ccccc3)CC2)[C@@H]1c1ccccc1 1892383470 YVKKTXAQZIWURD-UIOOFZCWSA-N 449.554 4.681 30 10 IJEE CC(C)[C@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CN1C(=O)OCc1ccccc1 1892795269 YYXORLWPINEUQC-YKSBVNFPSA-N 427.545 4.715 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1943877586 OHXGDVQZGSWTFZ-FDDCHVKYSA-N 437.581 4.522 30 10 IJEE CC(C)(COc1ncnc(Cl)c1C#N)CN(Cc1ccccc1)C(=O)OC(C)(C)C 1986492577 HYEJJASXGHOQGS-UHFFFAOYSA-N 430.936 4.844 30 10 IJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2014167704 BJZPWIHRVAJYJS-PKTZIBPZSA-N 445.724 4.651 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)NCCC 2014403302 FOXRZKKTUGXKLQ-ZRBLBEILSA-N 432.605 4.590 30 10 IJEE C=CCCN(CC(=O)Nc1ccc(I)cc1C)Cc1ccccc1 2019336841 VWDXNVBROLQQRT-UHFFFAOYSA-N 434.321 4.616 30 10 IJEE CC(C)(C)OC(=O)NCC1CC2(C1)CC(C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2046437483 KESBVXRGIDQUJT-UHFFFAOYSA-N 448.568 4.901 30 10 IJEE O=C(O)c1nn(Cc2ccc(C(F)(F)F)cc2F)c(C(F)(F)F)c1Br 2079146443 YWYIZXFFEMTFMC-UHFFFAOYSA-N 435.093 4.569 30 10 IJEE CSc1ccc([C@@H](C2CCC2)n2nc(C)c(C=NO)c2I)cc1 2080102532 VFANJFXQYLDDEO-MRXNPFEDSA-N 441.338 4.716 30 10 IJEE CCN(c1cc(Br)cc(F)c1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 2118195096 RUWVDBWKNGSLJA-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(NC(=O)OC(C)(C)C)c1C 2124679301 RCRLLXAYGOPGDT-OAQYLSRUSA-N 448.567 4.501 30 10 IJEE CN1C[C@@H]2[C@@H](CCC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2152859145 WXMXTSKLEJALEH-RRMPHLOHSA-N 434.378 4.815 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 2159127336 FTCPBZXHQNJXTI-IAGOWNOFSA-N 445.348 4.555 30 10 IJEE CCc1ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c(Br)c1 2180912589 PGIKNIWBDJDQFV-KRWDZBQOSA-N 438.366 4.927 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)C1 2181147471 SGJYUGHDZQJCOS-CJNGLKHVSA-N 436.350 4.733 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)C=Cc2ccc(Br)s2)CC1 2201803916 YHSPAZUGUOHAKR-UHFFFAOYSA-N 438.196 4.704 30 10 IJEE O[C@@H](C#Cc1ccc(Cl)cc1)c1cc(Br)ccc1I 2231099673 YGXXHBAAVBUCSC-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(C)C 2235722800 GERYJGKTTVKBOH-IEBWSBKVSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2235734545 XLWUDVASBUURAC-QGZVKYPTSA-N 433.390 4.567 30 10 IJEE C#CC[C@@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237390601 LTPCBVBSYWQVIW-YSIASYRMSA-N 436.390 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)C#Cc1ccccc1 2237413672 JURGOKDXUICUME-LJQANCHMSA-N 428.326 4.506 30 10 IJEE CCc1ccc(C#C[C@@H](N)c2cc(Br)ccc2I)cc1 2239642063 ANSVHFXRHGYVLD-QGZVFWFLSA-N 440.122 4.668 30 10 IJEE C#CC[C@@H](CN(C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243904725 GCJXALSIQTXGQJ-FQEVSTJZSA-N 444.575 4.812 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2246714001 BCMKJAITAUZDDT-VXKWHMMOSA-N 432.605 4.542 30 10 IJEE CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F 2255662130 UIORJFGMLDNWEX-INIZCTEOSA-N 429.316 4.705 30 10 IJEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC(C)(C)C 2267014396 YIRYZICYXUPJHX-UHFFFAOYSA-N 438.421 4.886 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2cc(F)cc(Br)c2C)C1 2272240440 MKUFPSUWEORWRI-UHFFFAOYSA-N 427.314 4.696 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)c1cccs1 2278809621 OLWBJXLCRUPYRS-AEFFLSMTSA-N 435.387 4.716 30 10 IJEE COc1cc([C@@H](N)C#Cc2cccc(Br)c2)ccc1NC(=O)OC(C)(C)C 2296215670 COAAQGZWVWOXEA-KRWDZBQOSA-N 431.330 4.856 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 2296220322 XBMYVPXWWUFKPP-OXQOHEQNSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)C#Cc1cccc(Br)c1)c1ccccc1 2296233604 YXKKPADAXORUHJ-JOCHJYFZSA-N 428.326 4.810 30 10 IJEE CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(N)C#Cc1cccc(Br)c1 2296273838 QYARCYLQBAAVQZ-AVRDEDQJSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@@H](N)C#Cc2ccc(Br)cc2)C1 2296307718 XZGZFEPNBHDDJV-YSIASYRMSA-N 435.406 4.992 30 10 IJEE CC(C)(C)OC(=O)COc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2296872191 ZAHJXDOIDBTWSI-UHFFFAOYSA-N 444.867 4.543 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1nnc(CC)s1 2297317653 MZQXJWJAHRDSOJ-UHFFFAOYSA-N 435.372 4.653 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3c(OC)cccc3OC)c2)c(OC)c1 2314429628 LCZQWXRMJAUUDD-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1O 2318571783 SIDBOEORPXUWBV-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE CCCOc1c(C=Nn2c(CC)nnc2SCc2ccccc2F)cccc1OC 2318574670 PWVWHNHMYDHFIW-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)C=Cc3ccccc3)c2)sc2c1CCC2 2318758432 FNTVEUIOHRMARW-UHFFFAOYSA-N 443.528 4.778 30 10 IJEE CC(C)OCCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1OC(F)F)C3=O 2322023989 VHUPLIFSSKLLTG-UHFFFAOYSA-N 445.462 4.871 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Br)cc(OC)c2OCCCO)cc1 2322565086 CTRHTDKLOVHJDV-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE Cn1cc(C=C2Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)c2ccccc21 2323144480 MAXTWKRNZRBWHD-UHFFFAOYSA-N 440.411 4.922 30 10 IJEE Cc1cc(OCCC(=O)OCCC(C)C)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2325104156 RHNXRJPAVNMDIK-UHFFFAOYSA-N 438.476 4.698 30 10 IJEE Cc1c(OC[C@@H]2CCCO2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2325690534 RQXMUVMSKUYVQM-KRWDZBQOSA-N 428.868 4.689 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cn(C)c2ccccc12 2326185963 SYIQLLOMWUPPIW-UHFFFAOYSA-N 449.580 4.566 30 10 IJEE CCCCCOc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCCO)cc1 2329786931 NEWAZDLQZPZTKZ-UHFFFAOYSA-N 442.560 4.544 30 10 IJEE CC(=O)N1CCc2cc(C(=NOCc3ccc(Br)cc3F)C3CC3)ccc21 2330346312 IIEGXOSNAHWGTR-UHFFFAOYSA-N 431.305 4.828 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccccc1Cl 2331336850 DAIHZDAEFZBJHQ-UHFFFAOYSA-N 432.933 4.828 30 10 IJEE COc1ccccc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C 2331695244 CBIKAAGGHODFAV-UHFFFAOYSA-N 437.569 4.640 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2C2CC2)cc1 2331725010 LGOXZKMZVOPBAH-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(OC)c1OC(=O)COC 2331834818 CFFCYOAMDXQHSC-UHFFFAOYSA-N 430.884 4.534 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)C=Cc1cccc(Cl)c1 2332147654 PQSXCCQHXPDEAJ-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC[C@H](N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514145 WUZKXDFJYBOLMX-YNJKOYDBSA-N 434.433 4.690 30 10 IJEE C[C@H]1[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339575424 WOGJTJVPZYOBDR-QZASHXROSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC(C2(Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)CC2)C1 2339585977 XGYJXMISOLJHPV-UHFFFAOYSA-N 441.381 4.538 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(Nc2cc(Br)ccc2C#N)C1 2340390114 HLTQXMUCZDLXPT-UHFFFAOYSA-N 434.256 4.721 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2365059098 LCTCRNSSSSDXLO-RPWUZVMVSA-N 445.416 4.685 30 10 IJEE CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 27532724 XYQGLFFBDKGHOP-QFIPXVFZSA-N 446.507 4.541 30 10 IJEE COc1cc([C@@H]2c3sc(O)nc3SC[C@H]2C=O)ccc1OCc1cccc(C)c1 35531322 RTXUUVKRPWZDCW-APWZRJJASA-N 427.547 4.797 30 10 IJEE CCCCn1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O 39870795 PUGHEQBXDNUWNT-QZQOTICOSA-N 434.250 4.620 30 10 IJEE C=CCc1ccc(OCCCCn2c(CNC(=O)C(C)C)nc3ccccc32)c(OC)c1 40274875 DAZHCMFEVLWDEI-UHFFFAOYSA-N 435.568 4.905 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C=O)C[C@H]2c3cccc4c3c(cn4C(=O)OC(C)(C)C)C[C@H]21 44962973 MQBMZVLATMHSLX-MOXGXCLJSA-N 440.540 4.889 30 10 IJEE in-vitro Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)C2=O)cc1 96585284 UIYQYTIGEZGZER-UCQKPKSFSA-N 437.455 4.952 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1c(C)nn(C)c1C)c1ccc2c(c1)OCO2 96586133 QIAVBDOZWCKXFA-QBFSEMIESA-N 445.519 4.577 30 10 IJEE CCCOc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102736414 VIRXOYSPEWSWES-SADKCHQCSA-N 436.439 4.537 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170073306 KKSMSRLWHHYYPO-JOCHJYFZSA-N 436.483 4.619 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1c1ccccc1 170122580 FCVMCYAKZDRRAT-XMMPIXPASA-N 441.483 4.803 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1OC 170125865 YRJRNNQVPOKOHH-NRFANRHFSA-N 441.911 4.878 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(OC)c(OCC)c1 170127643 BPUBOKMHYYYMFW-XMMPIXPASA-N 449.547 4.961 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccc(N(CC)CC)cc1 170138930 PGKGYOJFBVKUKO-QFIPXVFZSA-N 440.515 4.669 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)cc1 170173213 ZNNKEAATJMWIOU-QHCPKHFHSA-N 428.488 4.899 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(F)cc1 170237415 CYEXQCAWHBELHS-NRFANRHFSA-N 437.492 4.983 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2F)cc1 170250885 PEEAPVHJZZMFPS-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)c1 170251274 SASIVJWJGQBDNM-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170251323 BOTIJPMNZNGPOI-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccc(O)c2)c1 170257722 LUPVONNOZDUUNK-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(CC)cc2)c1 170265045 FQUWFYCZKLZQJM-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccccc1C 170271895 VREDNADSAIHRSS-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccccc1C 170278137 MULNKAIZWDIHEZ-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2C)cc1C 170278178 FOEAXPROOYUVPT-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2cc(Cl)ccc2c1=O 251724547 ZINUTVZVVFQNKR-CLLBMXBRSA-N 446.016 4.657 30 10 IJEE CN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=Nc1ccc(Cl)cc1 252607854 HFLXHEGURSFWHQ-RNTFJXONSA-N 448.729 4.659 30 10 IJEE C#CCOc1ccccc1CNc1cc(I)ccc1Br 380471857 UEVJHWWCSBRONB-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE N#C[C@H](C(=O)c1sccc1I)c1cccc(Br)c1 386391673 VJWJPLUFPGSFNC-JTQLQIEISA-N 432.080 4.605 30 10 IJEE N#Cc1ccc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(OC(F)F)c1 437158255 XVJKOUHOVLAAAM-KRWDZBQOSA-N 428.414 4.728 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446630837 HJDWDUWTVDWOAD-UHFFFAOYSA-N 430.961 4.756 30 10 IJEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC2(CCOCC2)c2ccccc21 460584306 MUKLUPBOMWOMAJ-UHFFFAOYSA-N 443.551 4.585 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)c1nnc(CCc2ccco2)n1C[C@H]1CCOC1 461520172 OMIHFWICYNCYCD-MRXNPFEDSA-N 432.977 4.600 30 10 IJEE CCn1c(NC(=O)c2c(Br)cccc2Br)nc2cc(C#N)ccc21 462117621 SPSYBYJTEBBJCD-UHFFFAOYSA-N 448.118 4.705 30 10 IJEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(c2nc(C(=O)OCC)cs2)CC1 549701854 FCQHJESOBQYFQD-UHFFFAOYSA-N 429.590 4.529 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 558982755 CZNMUOINNYSJHB-LJQANCHMSA-N 427.936 4.575 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@H]2COC(=O)C2=C)C[C@@H](O)C[C@@H]1O 575327264 MQPRYFLDQLKZSD-NEBFSYTJSA-N 426.597 4.883 30 10 IJEE C=CCCN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cc(Cl)ccc1OC 586258192 HCOMQLAOBGNYNF-UHFFFAOYSA-N 439.961 4.917 30 10 IJEE Cc1ccccc1-c1cc(C(=O)NCc2ccc(C#N)cc2F)c2cnn(C(C)C)c2n1 609229219 WBODQZJYFZSNRI-UHFFFAOYSA-N 427.483 4.928 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C2CCN(CC2)C12CC2 716097135 WLVWHDRTSCQKDS-NRFANRHFSA-N 432.362 4.711 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 730871003 BMCGOOHPNHHWTN-CDNPAEQRSA-N 442.515 4.830 30 10 IJEE C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(Cc2ccccc2)no1 752994290 BIWHREXEMNPGJI-INIZCTEOSA-N 443.532 4.821 30 10 IJEE C#CC[C@@H](NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 757008212 JFJLDCQFTWZTAS-JOCHJYFZSA-N 429.486 4.734 30 10 IJEE Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(C)(C#N)CC3)c2)cc1C 780778529 AKFQAIRUQXLXDI-UHFFFAOYSA-N 445.972 4.524 30 10 IJEE Cc1ccc(-n2nc(C)c(CC(=O)[C@H](C#N)c3cnc4ccccc4n3)c2C)cc1Cl 792099940 JZQKBDKBRMPANM-LJQANCHMSA-N 429.911 4.813 30 10 IJEE C=C(O)[C@@]1(C(=O)OCC)SC(Nc2ccccc2)=C(P(=O)(OCC)OCC)C1=N 1101209095 SQJQZOYLGFMSRT-LJQANCHMSA-N 440.458 4.674 30 10 IJEE C#CCOc1cccc(OC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 1125909280 NVWUFEAWUQEFHQ-UHFFFAOYSA-N 442.511 4.931 30 10 IJEE CC(=O)c1cc(F)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c(F)c1F 1127321235 AMRVPVZSLXZHGE-UHFFFAOYSA-N 445.294 4.902 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H](CC(=O)OCC)c3ccccc32)cc1OC 1134560527 VARGMKCRCKCKQI-RPAADVPWSA-N 435.520 4.747 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)CCCC1(C)C 1139512153 YUZRITZUVLJOFO-ANULTFPQSA-N 434.621 4.774 30 10 IJEE C#Cc1cccc(N(CC)C(=O)CCc2c(C)nn(COCC[Si](C)(C)C)c2C)c1 1144134555 LADVPRMGVSKNGZ-UHFFFAOYSA-N 425.649 4.779 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H](C)c2cccc(C(F)(F)F)c2)c1 1146337180 WCMUONJLNUOYNV-INIZCTEOSA-N 437.483 4.726 30 10 IJEE CC(C)CN(c1cccc(Cl)c1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1190302468 HJBCIXHOEPQCAM-UHFFFAOYSA-N 427.751 4.825 30 10 IJEE CCc1ccc([C@@H](O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 1199524586 BTORZQIKAKCRFW-QFIPXVFZSA-N 431.492 4.777 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc3ccoc23)c1 1207997849 SCQHZEUMGXUKBL-UHFFFAOYSA-N 434.469 4.996 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(C(=O)NC)cc1OC)c1ccc(C(F)(F)F)cc1 1219535069 BXKRNBPGFXBNTQ-QGZVFWFLSA-N 435.446 4.903 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1229989492 LQOBKSWGYAWAMI-TZRRMPRUSA-N 434.580 4.941 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1 1230489419 PWZBGVSJFKBTBI-HYBUGGRVSA-N 426.944 4.613 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCCC1 1230919247 PFDKIXZRJVRKPQ-UHFFFAOYSA-N 437.506 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1246900636 WEAGNDKUEAUHHM-KNQAVFIVSA-N 428.573 4.512 30 10 IJEE C=C(CNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)c1ccccc1 1251694466 JFIFUYNZBXCCLK-DHLKQENFSA-N 432.495 4.589 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1275698945 LTZQBRFMYFBPBP-LADGPHEKSA-N 447.579 4.907 30 10 IJEE CN(C(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)c1ccc(C#N)nc1 1278058093 BHRLEXMXPSZONU-UHFFFAOYSA-N 436.302 4.940 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1286337953 ZEFSIJXGFLWWLC-VQIMIIECSA-N 438.373 4.832 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccoc1 1286548500 BJTSEOJBTKCCHJ-DYESRHJHSA-N 442.947 4.818 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)CC1CC(F)C1 1286566668 SNIVJQKZKBCKCF-CJARVAHZSA-N 426.580 4.619 30 10 IJEE C=Cc1ccc(CCn2c(Cc3csc(C)n3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1286653394 IELOAVPKOPKZGO-DEOSSOPVSA-N 432.597 4.650 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCO2)CC1 1286657004 YJZSWJCFSIMGSB-GOSISDBHSA-N 431.378 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C#N)C1 1286668228 PYXZTECBVRKLBG-SFHVURJKSA-N 425.602 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286671628 VUTJTDRJQVKPSP-UHFFFAOYSA-N 428.650 4.625 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC(C#N)CC1)C(C)C 1286750685 FRPUGPIOQLZWBT-XMMPIXPASA-N 432.616 4.692 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@@H]1OC 1286752873 LDSGILVMSTXECM-BEFAXECRSA-N 449.368 4.840 30 10 IJEE C=CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CC(=C)C 1286832202 IRIIJYJKDHMOAV-UHFFFAOYSA-N 449.665 4.714 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC2(CCCCC2)C1 1286833486 FQJHFDYGZHYETC-UHFFFAOYSA-N 426.630 4.957 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)OCCc2sccc21 1287579413 FGTXAXWLKOALCA-DEOSSOPVSA-N 435.597 4.849 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC=CO1 1289274949 DTFXRQYOKMBXEL-ZTNFWEORSA-N 443.979 4.977 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(C)C 1291878109 WDYAWCXWOWJMGT-JOCHJYFZSA-N 444.583 4.791 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)c1ccsc1 1300438193 GYBQSYYKHKIXSL-OAQYLSRUSA-N 442.997 4.852 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCSCC(C)C 1300650215 ZHRLKWGJVOTHNQ-OAQYLSRUSA-N 430.593 4.688 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)CC1 1300876023 PGQILOOGQWVRIN-KSSFIOAISA-N 440.897 4.954 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCOc1ccc(C)cc1 1301360242 YULRWJPLBQRLGH-UHFFFAOYSA-N 431.565 4.982 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)CCCS1 1301413394 UVCKNHAELZXJLH-QFIPXVFZSA-N 443.642 4.748 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCCC1(F)F 1301425111 CYRHLBQULOABRX-IBGZPJMESA-N 443.542 4.815 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 1301445327 GHNXOXMZDABQFU-OAHLLOKOSA-N 430.940 4.538 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(Cc2cccs2)CC1 1303128200 CXFKFWMSOVVLAP-UHFFFAOYSA-N 448.640 4.883 30 10 IJEE C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C#N)CC1)N1CCC[C@@H](C)C1 1305022279 AQWADOIPOBEDEZ-SJORKVTESA-N 444.986 4.598 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1cccc(Cl)c1 1309138384 JAQSFLWLPSFNTC-UHFFFAOYSA-N 432.742 4.760 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1ccccc1 1352596748 SXRHFHUEDXSAJJ-FQEVSTJZSA-N 428.935 4.904 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1356123073 HYDZYBIPUQQBSU-VWLOTQADSA-N 442.003 4.830 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC12CCC(CC1)C2 1358880849 UPFAEERIALDKQH-VEBLATHCSA-N 431.353 4.885 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1358923525 SBMBAENWIBGQAS-HSZRJFAPSA-N 448.567 4.782 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1358935997 ZJSOAGFWPHXRKE-DEOSSOPVSA-N 426.630 4.934 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1359004532 ZROYFPMYKQGVEZ-QHCPKHFHSA-N 431.584 4.608 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1359090759 GCDUZQDLTBVOMN-QTEQDKRBSA-N 440.588 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(CC)C1 1359093697 QWSUVICQVZYKND-PZGSVQSZSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1359160311 QYIABLFCAFICFL-FPOVZHCZSA-N 447.549 4.861 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cn(CCCCC)nc2C)CC1 1359177278 GZDQIKMYSYANSW-UHFFFAOYSA-N 433.604 4.794 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N(C)C1CCC2(CC1)OCCO2 1359186184 XOSFCOPQJJIISC-UHFFFAOYSA-N 428.552 4.808 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](C)C1)c1ccccc1 1359193545 FYSFHDYGOTWEAE-IFMALSPDSA-N 444.583 4.912 30 10 IJEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1sccc1Br 1359243165 HMOHHUXRIIPQRI-UHFFFAOYSA-N 447.402 4.566 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C)CC(F)(F)F)C1CC1 1359248354 KUAXBVMNIUMKMR-UHFFFAOYSA-N 435.538 4.892 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H]1OC 1359262265 NLFBKAFXUPDMBY-RBBKRZOGSA-N 433.581 4.886 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 1441947648 MHKKSELVRNAQFU-UHFFFAOYSA-N 439.918 4.991 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1OC 1449536698 DFBXJDHGBYDBTN-IMAOXBOFSA-N 436.335 4.604 30 10 IJEE CSc1ccc([C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)N(C)C)cc1 1450123006 DNOUNQWZIMHEFR-RUZDIDTESA-N 445.588 4.892 30 10 IJEE C=CCC[C@H](C(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1456437377 WMUAAMMDJOKMDC-HCYSDIRSSA-N 442.600 4.801 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC(C)(C)[C@H]2c2cccnc2)n(-c2cccc(F)c2)c1C 1460541056 HXUWXWJVSZSOSV-HSZRJFAPSA-N 431.515 4.522 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 1461393395 YGUQZAIWJPHMAD-UHFFFAOYSA-N 435.564 4.980 30 10 IJEE C=CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)[C@@H](C)COC 1465471570 PAWXACIQGOKLHO-KRWDZBQOSA-N 441.959 4.874 30 10 IJEE N#Cc1cnn(-c2ccccc2NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c1N 1467880052 BUBIHSYBXNGVOI-UHFFFAOYSA-N 442.306 4.625 30 10 IJEE C=CCn1c(SCc2nc(CCCC)no2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472907335 AUPHQYMUJLOLJJ-ZDUSSCGKSA-N 430.599 4.787 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC 1473941250 ZFANMZUSTHBANH-CALCHBBNSA-N 448.966 4.956 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)cc1 1475974163 SBLYOTKEJVHYBQ-GOTSBHOMSA-N 441.597 4.683 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC2(c3cc(Cl)cc(Br)c3)CC2)cc1 1476012658 QFQCHXFOEIKIMI-UHFFFAOYSA-N 448.748 4.829 30 10 IJEE Cc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)C1CCCC1 1476633285 HSULXFLVYONQFP-UHFFFAOYSA-N 449.576 4.904 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@]1(CO)CC[C@H](C)c2ccccc21 1476730203 ZNPGSGPOQQOGNG-NYHFZMIOSA-N 445.357 4.921 30 10 IJEE CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@](C)(c1ccc(F)cc1)C(F)(F)F 1477157472 DKFGSIHNRVXQGY-CQSZACIVSA-N 429.361 4.920 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OC(C)(C)C)CC1 1507746457 BEUKKWDMEOBAKH-UHFFFAOYSA-N 449.624 4.644 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CCc1cc(Br)ccc1F 1507760734 AHRXLWYPEQPPPY-QVKFZJNVSA-N 433.369 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)OC1CCCC1 1507811023 NAHUVPQBDBVZLH-GBXCKJPGSA-N 440.588 4.711 30 10 IJEE C=C(Cn1c(CC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1)c1ccccc1 1507851121 FWQIBBFCKNLQPS-LJQANCHMSA-N 437.613 4.886 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507877749 OGCGHRAYIBTZCK-INIZCTEOSA-N 439.913 4.639 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C)c1ccccc1 1507925016 XGCZIKJCCORNMM-MZYLBHOOSA-N 448.615 4.678 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1507947671 IAMHMFZFJPDAQZ-UHFFFAOYSA-N 427.980 4.518 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC=CO1 1508033440 MJGWMWRTJLOQQI-LJQANCHMSA-N 440.494 4.668 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCO[C@H]1CCCC[C@H]1C 1520226164 HNGDJOPQMDUPOB-COPCDDAFSA-N 439.629 4.744 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1521590564 QDDLTCIFXGGXAA-LAUBAEHRSA-N 437.462 4.732 30 10 IJEE COc1ccccc1[C@H](CC(C)C)NC(=O)COc1cccc(Br)c1C#N 1525089957 HGYDSJCKDMSXLL-SFHVURJKSA-N 431.330 4.612 30 10 IJEE C=CCC1(CNC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CCCC1 1525841794 DSLWDPCDSVZQQW-UHFFFAOYSA-N 426.582 4.768 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1ccccc1 1530683450 YBSRCYRPYPDGQC-SFHVURJKSA-N 439.499 4.865 30 10 IJEE Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc(C(=O)OC(C)(C)C)c1 1534802846 FTFZJDQHNLHBBQ-UHFFFAOYSA-N 436.899 4.913 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@](C)(CC)C2)c1 1535189356 FIUSFVUDFMWOIE-QHCPKHFHSA-N 447.000 4.984 30 10 IJEE C#C[C@H](NC(=O)c1c(C)ccc(Br)c1OC)c1ccc(Br)cc1 1535484310 ZLLSWYXIUUVEMD-HNNXBMFYSA-N 437.131 4.633 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N1CCC(C)CC1 1538986988 PTDBBHHIWWQYIH-IAGOWNOFSA-N 434.415 4.830 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCc1nc2c(s1)CCCC2 1538995740 REMNNEILNGBJNI-OAHLLOKOSA-N 425.989 4.634 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2oncc2C1 1539087684 XKLMIVNJPVGSGP-UHFFFAOYSA-N 427.961 4.578 30 10 IJEE C=C(Br)Cn1c(N2CCSC[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1539611651 BVPUXKPRJGWRLU-INIZCTEOSA-N 433.419 4.598 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1539779529 AIURLXZRDXHERJ-PBHICJAKSA-N 434.968 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCCOC2)CC1 1539882263 HZMWSTPMKIAFRE-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1539900064 GMPXBYHNNOFLGA-WIYYLYMNSA-N 439.604 4.611 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1539903313 WGQNGWXCLGDXTA-MSOLQXFVSA-N 441.624 4.538 30 10 IJEE Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(Sc2ccccc2)c1 1540293914 GVJQYMZWCSHYOV-UHFFFAOYSA-N 427.573 4.976 30 10 IJEE C=CCSCCn1c(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)nnc1C(C)(C)C 1540922113 DPMGAZBXQYPABQ-GOSISDBHSA-N 439.000 4.865 30 10 IJEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 1542768525 GKUHSESCYOIUJR-DEOSSOPVSA-N 432.955 4.861 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1 1543196707 BUESFPGCFUDIHS-JOCHJYFZSA-N 427.529 4.953 30 10 IJEE C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 1544252643 AZHAKQUSZAJJHB-WMZHIEFXSA-N 443.522 4.957 30 10 IJEE CCC[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1546832743 HPBOQJJLYXHLAF-AMDXRBSFSA-N 439.604 4.716 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccc(Cl)cc1F 1556560113 ZHORVOYTHNXSRA-INIZCTEOSA-N 432.680 4.736 30 10 IJEE C=CC1(CC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1557514837 HBDFQIIEGKEKSV-UHFFFAOYSA-N 446.432 4.969 30 10 IJEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1)[C@H]1CCCc2ccccc21 1565045661 AUZOJWFNDLBNRV-NRFANRHFSA-N 425.573 4.546 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CCCC)Cc3ccccc3Cl)ccc2c1=O 1584448738 VMJCIOZPWMKATA-UHFFFAOYSA-N 441.984 4.967 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1584864105 QGALTUMGBZWOFB-QHCPKHFHSA-N 448.588 4.737 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C(F)(F)C12CCC2 1587561962 JIXPIHAMZMPVEL-HDMKZQKVSA-N 434.918 4.965 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(F)cc1C 1588099057 HKTDGBKQILWEHN-GOSISDBHSA-N 446.595 4.894 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]2CCC[C@@H]21 1589421443 MUOZMMVEHWNEON-KDOFPFPSSA-N 437.332 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1589506535 XNBUDNDLVCLKMS-OXQOHEQNSA-N 446.382 4.973 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccccc1C 1589544841 KGGBAIAXMQIGFP-REWPJTCUSA-N 426.605 4.672 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1589545138 LQNDAICHHNIJHO-PGRDOPGGSA-N 426.561 4.687 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]1CC 1593764030 VEBRRZOQTUKLOX-SFHVURJKSA-N 449.393 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1594035441 IUGIJYXLLQCRAM-UHFFFAOYSA-N 431.968 4.622 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)N2CCC(C)CC2)CC1 1594064517 OSXPPWVTZZDCTC-IBGZPJMESA-N 444.023 4.884 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC(C)CC2)CC1 1594209349 UYKUECHWMPQFLR-UHFFFAOYSA-N 432.616 4.731 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1594246974 CIJXFXUUBBCLNU-QFIPXVFZSA-N 437.975 4.707 30 10 IJEE C=CCCCn1c(-c2cnccn2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1594713874 MIVDTWYVYQTSEP-HNNXBMFYSA-N 439.361 4.588 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]2CCC[C@H]21 1594793021 DSLNXDYQTAWUNF-FXAWDEMLSA-N 430.980 4.969 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)CN1CCCCC1 1594856537 GSKFHOHPVASKRC-UGKGYDQZSA-N 425.621 4.779 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC1CCC(OC)CC1)C1CC1 1595026570 OQZDLEBSFLNGQU-UHFFFAOYSA-N 448.409 4.786 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1Cc1nc(C)cs1)C1CC1 1595070632 GWNOXFVMVIMNHO-UHFFFAOYSA-N 427.599 4.547 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](C)C(C)(C)C1)C(C)C 1595166572 VCDFEZRLWIKWRT-JTHBVZDNSA-N 436.648 4.911 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1595266896 MNGKYZULTOWVRH-HSZRJFAPSA-N 439.648 4.517 30 10 IJEE COc1ccccc1[C@H](CC(C)C)OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1595972960 CFHHFXUGWSBLMA-JTSKRJEESA-N 440.927 4.904 30 10 IJEE CCN1CCCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1615819668 DUUOBDQDBFAZGG-MJGOQNOKSA-N 447.052 4.837 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)[C@H](C)CSc2ccccc2)nnc1-c1ccco1 1616685786 BNZZTZITZOMYDN-QGZVFWFLSA-N 442.610 4.846 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC[C@@H](C)CC)c1 1616979190 QALQMCYPJHMSFV-KRWDZBQOSA-N 434.989 4.887 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)cc1C#N 1623276547 DYIKZWZKCPMEFR-INIZCTEOSA-N 436.516 4.853 30 10 IJEE COCCN(Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1624687365 DBWMQLBEHWSKFV-UHFFFAOYSA-N 431.540 4.722 30 10 IJEE C#CCCN1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1 1627318321 FKAHEAHFCSDLDX-UHFFFAOYSA-N 430.573 4.775 30 10 IJEE C#CCN(C(=O)NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1628622100 AJYUXDDFPMGASS-UHFFFAOYSA-N 440.371 4.538 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1 1630193853 GRKANQHNSYPUKB-WMLDXEAASA-N 443.371 4.706 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)s1 1630933851 YHFJFRVCVKBESU-QGZVFWFLSA-N 435.475 4.577 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C1 1632373775 RFFSIGCSVMBSEH-HNNXBMFYSA-N 436.936 4.708 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(Br)cc1C 1632385901 NBVQFACEYYLUTM-CQSZACIVSA-N 429.742 4.656 30 10 IJEE C#CCC[C@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 1633895546 IYRVDMSOCIPABP-POLXVDLBSA-N 430.935 4.879 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(OC)ccc(Br)c2[nH]1)c1ccc(Cl)cc1F 1635191678 NCMSUSJDIHLOBW-OAHLLOKOSA-N 435.680 4.836 30 10 IJEE C=CCC[C@H](C(=O)N1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1)c1ccccc1 1640809144 KHBWTKJOVULUNZ-QFIPXVFZSA-N 430.589 4.611 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 1640984020 JDMGDOSTARVANQ-UHFFFAOYSA-N 428.319 4.942 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc23)cc1 1641129720 UBVBCBFHNDMMTB-SANMLTNESA-N 448.588 4.542 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 1641558218 TWBAPFCURJCGHA-QGZVFWFLSA-N 437.565 4.843 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1OCC(F)F 1641863853 YNRFMOMQGONYRU-CYBMUJFWSA-N 439.286 4.958 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)c1ccccc1 1646623228 FVEAQRRISZALGV-LJAQVGFWSA-N 435.571 4.662 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCCC[C@H]1C 1649538837 IMEMSHKTTJKMOG-FGZHOGPDSA-N 444.627 4.914 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(OC)cc2OC)nnc1-c1cccc(Cl)c1 1651889341 GMKZJWWPYJPUOH-UHFFFAOYSA-N 429.929 4.777 30 10 IJEE C=CCO[C@H]1CCN(Cc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)C1 1652993652 IZEYEKIGEOGQFJ-DEOSSOPVSA-N 435.593 4.616 30 10 IJEE C#CCN(Cc1nc(C(F)(F)F)cs1)[C@@H]1CCOc2ccc(Br)cc21 1653391784 OTHBIRZSUBLLGS-CYBMUJFWSA-N 431.277 4.883 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2sc3c(c2c(=O)n1[C@@H](C)CC)CCCCC3 1655976554 KOYFOMLFICCMEZ-INIZCTEOSA-N 445.654 4.991 30 10 IJEE CCN(C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 1657036758 GIVQYGKLXMDFBK-RLWLMLJZSA-N 447.604 4.969 30 10 IJEE C=CCOc1ccc(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1OC 1662048155 NHICRPMDRHHNJE-FQEVSTJZSA-N 448.485 4.560 30 10 IJEE COC(=O)[C@@H]1CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1c1ccc(Cl)cc1 1662084275 CIBSJAZBGCNQPD-DLBZAZTESA-N 445.972 4.991 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 1667401424 CEXXWKUZCOWMHI-UHFFFAOYSA-N 431.330 4.532 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1668345131 XUNIITKEEBBOJO-UHFFFAOYSA-N 430.479 4.528 30 10 IJEE O=C(Nc1ccc(OC(F)F)nc1)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F 1671196912 GSWGMKAPHGUHTD-GFCCVEGCSA-N 427.276 4.710 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1 1673471754 JRYZYJYZOKXMCX-UHFFFAOYSA-N 433.483 4.642 30 10 IJEE C#CCN(C(=O)Nc1c(C)noc1C(C)C)[C@H]1CCOc2ccc(Br)cc21 1674863438 WYWGMINMSYCZLI-INIZCTEOSA-N 432.318 4.860 30 10 IJEE C[C@H](NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2cccc(C#N)c2)cc1 1679047024 CRGJPKWJVVZDJV-FDDCHVKYSA-N 448.567 4.985 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1ccc(C(F)(F)F)cc1 1680632347 CEAINSQTUBKKLS-IBGZPJMESA-N 433.474 4.950 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 1682156874 RVQRQNGVHLVGSJ-GSDHBNRESA-N 439.644 4.834 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1ccc(Cl)cc1 1682352198 IESHQEYHFRNPDA-ZEQRLZLVSA-N 443.934 4.711 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C)cc1 1682441933 GLXYIMCWKMLXKR-IBGZPJMESA-N 443.588 4.573 30 10 IJEE C#C[C@@H](NC(=O)N1CCC([C@H](O)c2cc(F)ccc2F)CC1)c1ccc(Cl)cc1F 1683517163 ROZTWPGGAADOKK-RTWAWAEBSA-N 436.861 4.587 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1ccc(Br)c(Br)c1 1685490022 SSCJVLNWIMFGTB-UHFFFAOYSA-N 436.147 4.557 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](O)COc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1685817545 QQKSBDCAHWEKGV-UYAOXDASSA-N 440.437 4.591 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCO[C@H]1CCCC[C@@H]1C 1690009214 YAHXSUQYTNZTPX-UWJYYQICSA-N 445.394 4.920 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1ccncc1 1690192881 FMDNUCUYJBTCJI-HFZDXXHNSA-N 429.568 4.665 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCC(C)(C)C1 1690230052 PINXJAWBKOXHKS-UHFFFAOYSA-N 425.321 4.682 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(C)c1C 1690256490 NNQWFKTZBCYBMR-KRWDZBQOSA-N 428.968 4.564 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H](O)C1 1690260264 FQFRSOQCHINRQV-SJORKVTESA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCc1cccc(C)n1 1690262766 NAFQHFMGGSRLRD-UHFFFAOYSA-N 441.583 4.869 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1690303187 USNLWVUYVKHPTB-UHFFFAOYSA-N 446.039 4.749 30 10 IJEE C=C(Cn1c(-c2cccnc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccccc1 1690322363 BSHRCXMCMAFSTE-FQEVSTJZSA-N 443.473 4.601 30 10 IJEE C=C(Cn1c(C2CCCC2)nnc1N(CCNC(C)=O)Cc1ccsc1)c1ccccc1 1690323995 FPVTWVSDVQORAI-UHFFFAOYSA-N 449.624 4.853 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)S[C@@H](C)C1)c1ccccc1 1690444705 KZXCGANWGPCTGD-SXWKCWPCSA-N 433.625 4.954 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1)c1ccccc1 1690446942 HUYICMNGARJCPW-RPWUZVMVSA-N 449.643 4.866 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1690464934 NPLAHPNAAIGPNZ-GOSISDBHSA-N 432.634 4.824 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690477091 ZHYHRXHNBLKXKT-AWEZNQCLSA-N 445.892 4.777 30 10 IJEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(Cl)s1 1690488956 VTAFAOBKINSCSO-UHFFFAOYSA-N 426.977 4.834 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCC[C@H]1OC 1690553954 OAPPXRPMZHVZRP-RBBKRZOGSA-N 436.556 4.863 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC1CCN(Cc2cccs2)CC1 1690594975 LDALQHRJPGSWKS-JOCHJYFZSA-N 441.645 4.672 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1690742541 UITCTWCKFVFIHP-FXAWDEMLSA-N 441.626 4.596 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1692346490 GOWQWXIQTPUZMR-FPOVZHCZSA-N 426.609 4.881 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCC2)C1 1693557440 CXIYBQZISUENRL-OYRHEFFESA-N 434.632 4.954 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCCC2(F)F)CC1 1698494221 IEVPPNMVGSUERE-SFHVURJKSA-N 447.505 4.952 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](c1ccsc1)N(C)C 1705544750 CMXHWOQCVRTYNX-QFBILLFUSA-N 439.654 4.565 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1 1705666118 OVWWYOBUMLFBTQ-GOSISDBHSA-N 444.670 4.818 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1Cl 1705678714 MLWGLUBAMAYTRK-DRMXPCRNSA-N 426.992 4.891 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCC1CC1 1705697258 KOEPFDFRMKOKRN-QUCCMNQESA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)N(C)CC 1705711592 PTJUHKYFRMVPDN-UHFFFAOYSA-N 431.993 4.694 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1705735709 WABUYYVYXPEQNP-HXUWFJFHSA-N 434.943 4.509 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1705791516 XXHKGSDHTCHXKF-QYZOEREBSA-N 449.615 4.789 30 10 IJEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2CCCO2)CC1 1705809413 QLRNNAGYQWVBLS-NRFANRHFSA-N 428.552 4.748 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC2(CCCC2)C1 1705811056 PKNSCSMOMFYFLS-UHFFFAOYSA-N 442.007 4.988 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705823415 LDMJOHYYJURZHC-OALUTQOASA-N 428.602 4.551 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1conc1COC 1705835426 KGWSGGYDRFMJKW-UHFFFAOYSA-N 429.933 4.618 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1CCN(Cc2cccs2)CC1 1705838675 XWMBBPKFBNEQQV-UHFFFAOYSA-N 443.020 4.589 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1cccs1 1705863228 LGCYHTAHVLIPEN-HSZRJFAPSA-N 428.577 4.877 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1705893592 AYQJUHOWECAUGF-UXHICEINSA-N 439.560 4.583 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCc2csc(C)n2)C1 1705916262 OBQMLMLSRQCQPW-FGZHOGPDSA-N 437.613 4.609 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722326227 FXUREOZDZWYPTA-UXHICEINSA-N 430.980 4.660 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)Cc1cccs1 1722419844 DBKQYXHHGFUXEU-KRWDZBQOSA-N 428.989 4.625 30 10 IJEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722486614 AVTZJDCSTPMBLV-CZUORRHYSA-N 443.311 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)C1 1722492512 SYFRHZUIFCNARM-SBHAEUEKSA-N 446.542 4.862 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[C@@H]2OC)CC1 1722560876 FWYASEGFRODYMM-CABCVRRESA-N 437.407 4.741 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 1722594816 RCPJGKZEAZLHBY-RTBURBONSA-N 442.489 4.874 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1722613087 RYVDGSNITOKMNP-FQEVSTJZSA-N 435.572 4.705 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1(C)CC1)C1CC1 1722649215 MLXMEHPJKUTMGA-GOSISDBHSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCSC1 1722660393 UXJXISSZCIGRFM-QUCCMNQESA-N 430.593 4.647 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CCCN(C)C(=O)OC(C)(C)C 1722670037 VYZPLGRWKFVFKH-UHFFFAOYSA-N 425.577 4.689 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCSC1 1723986963 AIZUVYMAKIERGV-PNLZDCPESA-N 446.020 4.955 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)C(C)C)cc1C 1724389984 CSBIJWLDIPIUAV-UHFFFAOYSA-N 436.604 4.960 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1 1740645435 NAGWEMHBLPRMDE-IBGZPJMESA-N 431.030 4.582 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1740760854 LCPFWSUIKXOOOD-UWJYYQICSA-N 430.980 4.825 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCS[C@@H](C)[C@@H]1C 1740806589 VDSKEWIVMWWRBE-STQMWFEESA-N 427.799 4.790 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(F)(F)Br)CC1 1740819200 HOZGCMIDJRYPJP-UHFFFAOYSA-N 449.246 4.691 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1740820818 SMGXVNZACMWDAW-UHFFFAOYSA-N 428.993 4.952 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H]2C)CC1 1740824728 AUVONXRZIGJTSQ-PWRODBHTSA-N 443.636 4.985 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCn2cc(C)nc21 1740857399 MDJPVGMNCHWILS-RTWAWAEBSA-N 426.609 4.785 30 10 IJEE CCc1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(Cc2ccco2)C(C)C)s1 1744426348 AJKPGEAEARIQBC-UHFFFAOYSA-N 432.553 4.892 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(COC)CCCCC1 1748775026 BYMMLUXNQPRVPJ-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1748876372 CPSQKVBLORZYAP-XMMPIXPASA-N 430.596 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCN(CCC)C1 1749147421 IGXXSGUXFCMPSO-NRFANRHFSA-N 432.616 4.936 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCCC[C@H]2C)CC1 1749293383 LALFKZQDBHZYOA-HXUWFJFHSA-N 438.576 4.664 30 10 IJEE C=CC1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2C[C@@H](C)N(C)C)CC1 1749331339 YGSMBGGSUQWIQF-QGZVFWFLSA-N 436.629 4.730 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1749345520 LDRMUMGJQKEBOT-VWLOTQADSA-N 444.627 4.749 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1749367184 RKMHIJVYQKTWJP-BLKXYEKTSA-N 444.645 4.709 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1749390496 GRDCTSUNRIKMMI-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)CC1 1749391128 LXFUJLSRYQDCMS-FQEVSTJZSA-N 436.398 4.787 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(SC)c1 1749538765 LSJXRVRZUMJBFX-NRFANRHFSA-N 435.597 4.878 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1760229168 GFXUYPTVFRVFMW-KDURUIRLSA-N 428.024 4.815 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1760323287 BVHYYFDBYJAQAD-NFBKMPQASA-N 439.560 4.537 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2[C@H]2C[C@H](c3cccc(F)c3)C2)CC1 1760397245 PFVRWFQFDBOYPB-NQSCKRDGSA-N 428.552 4.662 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCOCC(=C)C)CC1 1760399131 AIOYRKSMRSTSOK-UHFFFAOYSA-N 431.378 4.703 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)c(O)c1 1760430750 RZLZVZYHYJPWOH-DENIHFKCSA-N 442.604 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCN1CCCCC1=O 1760454887 UGAFZALLWGPYNG-UHFFFAOYSA-N 444.004 4.838 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCSCC(F)(F)F 1760456335 MOYBLVPYWNVLMS-INIZCTEOSA-N 428.524 4.953 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCN1CCC[C@@H](C)C1 1760466587 AHEYEZXFLFZXQI-OAQYLSRUSA-N 425.621 4.643 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H]1CCCCS1 1760479087 CQNQLQKGZDKZLA-OAQYLSRUSA-N 432.597 4.634 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(C)(C)C)C2)cc1 1760531671 WJWYMJQJDMUOBN-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1762740138 HTVKSYDNTXJMIC-JJTGBXKASA-N 435.616 4.789 30 10 IJEE CC1CCN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4cccs4)n3)c2)CC1 1772724303 TZTAQWMNQHIOBE-UHFFFAOYSA-N 446.623 4.738 30 10 IJEE N#Cc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)cn1 1858435255 QGIKITXJKULVDU-UHFFFAOYSA-N 434.521 4.819 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3cc4c(nc3C)CCC4)cc(C)c2c1 1859763180 KYOJLWCVRURYHJ-UHFFFAOYSA-N 436.519 4.662 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)[C@H](C)CC 1861216330 FLUZBCDQOUIRHZ-PZUNEJSGSA-N 443.676 4.906 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCCC)NC(=O)c1ccc(=O)n(CCC)c1 1861237864 AXWUAANKIYDKFZ-QFIPXVFZSA-N 433.637 4.804 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 1862100437 MQGNEYCFCIQVAO-HHHXNRCGSA-N 444.579 4.891 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379859 MLTWLABUEBHZQP-LJQANCHMSA-N 442.302 4.538 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(N(C)C)cc1 1862595704 OTTKRUXGVRNYGW-MZNJEOGPSA-N 442.515 4.798 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccco2)c1 1862597201 SHTMLCWIKUJFRF-QFIPXVFZSA-N 433.460 4.553 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862649366 WPPPHHCIMUJGRM-DEOSSOPVSA-N 437.499 4.692 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862674310 VODRVWNAXCLJJE-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(C(=O)O)cc1 1862727250 ZPCSHIFYHYCSPL-HSZRJFAPSA-N 439.467 4.816 30 10 IJEE CCCOc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862769115 RPPFGKGDZZBKDW-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)cc1 1863211506 UNUVKXLFMIWIRK-VGSWGCGISA-N 429.520 4.728 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)c(C)c3)C2=O)cc1 1863469499 MECBCJIWTAXSHW-UHFFFAOYSA-N 439.490 4.749 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3Cl)CC2)nc(C(C)(C)C)n1 1867967625 DDRUNBBBZIZTKE-UHFFFAOYSA-N 426.008 4.933 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nc(NC(=O)c3cccc(C#N)c3)n(-c3cccc(Cl)c3)n2)C1 1870017057 FSELMOGVKDMVIX-HZPDHXFCSA-N 434.931 4.527 30 10 IJEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CSCc2ccccc2)cc1=O 1870300582 LMRIAUJGQMLVHE-QHCPKHFHSA-N 439.964 4.681 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)noc2C)cn1Cc1ccc(C)cc1 1870566115 NTTOBDLLBXNCNA-UHFFFAOYSA-N 433.552 4.563 30 10 IJEE C=CCOc1cn(CCCCCO)c(CNc2ccc(OCc3ccccc3)cc2)cc1=O 1870812450 DEURVRSWDSFLKJ-UHFFFAOYSA-N 448.563 4.767 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871010696 PIUSCHAMJCINPT-UHFFFAOYSA-N 442.437 4.548 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 1871447993 FQGRCJMNBANFEC-VUZLNAKASA-N 433.485 4.973 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)o1 1871448076 JUGQGFLTYGUUQC-ZGFXFUDXSA-N 448.431 4.827 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccccc3F)ccc2C1=O 1871459835 GVJDERALIWXKHY-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871824763 GHRAUZFAJNTAQE-MAUKXSAKSA-N 434.524 4.677 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 1871991027 LYZRRPHAFSBSGI-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(NCCCOCC)ncnc21 1873605313 VEBUUEZTEWJHSY-UHFFFAOYSA-N 447.461 4.727 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1cccc(C(F)(F)F)c1)n2Cc1ccco1 1873615577 WEVKEKVLUDDWSY-UHFFFAOYSA-N 441.413 4.942 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(NCc3cccc(C)c3)ncnc21 1873617812 JOWIYVDMSCPEFQ-UHFFFAOYSA-N 437.507 4.666 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873665499 HFJGAAIBLAGNAV-GASCZTMLSA-N 425.483 4.630 30 10 IJEE CCOc1c(/C=N/n2c(CCCOc3ccc(C)cc3)nnc2SC)cccc1OC 1874250434 DALHCDHITWPSMD-LFVJCYFKSA-N 440.569 4.610 30 10 IJEE COc1cccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccn2C)c1 1874309839 QJSDQCRYFHIXGX-YZSQISJMSA-N 445.592 4.893 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc2c(c1)OCCO2 1874327980 QGSUHHVWZOYRQJ-ZVHZXABRSA-N 438.553 4.629 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1cccs1 1874480166 LBPJUFAIAUOCNM-SITPEIFSSA-N 427.599 4.534 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)c1 1874596722 AGBCTXLKOJXPBT-CSKARUKUSA-N 443.499 4.988 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(OC)c2)c1 1874605682 ADFKEYNAQFRFDJ-ZRDIBKRKSA-N 442.471 4.828 30 10 IJEE Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)ccc1F 1874618612 KFGMKDHFDDLARE-YRNVUSSQSA-N 434.423 4.956 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 1875085223 VSMXIBFAPOKERN-SDNWHVSQSA-N 433.416 4.727 30 10 IJEE O=C(COCc1ccccc1)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 1875159378 BBJZAPNQJIHKTP-WUXMJOGZSA-N 435.407 4.752 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCCOc2cc(Br)ccc21 1888161103 WPZDNZTYKDLNAU-KRWDZBQOSA-N 425.367 4.723 30 10 IJEE N#Cc1ccc(C(=O)N2CCC(c3ccc4cc(-c5cccnc5)cnc4n3)CC2)c(F)c1 1890675936 JBYNGGNBUFBHFR-UHFFFAOYSA-N 437.478 4.722 30 10 IJEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3cccc(Oc4ccc(F)cc4)c3)C2)c1 1891514665 YKFOZVOXSCRWFS-LJQANCHMSA-N 431.467 4.816 30 10 IJEE N#Cc1ccc(CC[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951363842 IZNZJKGUYYXVJA-HXUWFJFHSA-N 440.499 4.873 30 10 IJEE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)c(C#N)cc1F 1963356152 JHWOOUCKECPLDL-CYBMUJFWSA-N 426.330 4.543 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1 2037375498 BDACJDNJJORBPJ-ICSRJNTNSA-N 445.560 4.512 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)Cc2cc(Cl)cc(Br)c2)C1 2063051670 GPILRMOMQJMHRS-INIZCTEOSA-N 429.786 4.833 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 2063401185 VMPAQWLPCUCHLO-UHFFFAOYSA-N 443.544 4.730 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(CC)[nH]c1Br 2087656656 AQMJJZGZFRRVQB-ZFWWWQNUSA-N 429.403 4.635 30 10 IJEE C=CCN(CC[C@@H](Cc1ccc(Br)c(F)c1F)NC)C(=O)OC(C)(C)C 2099294336 DPHQGGHWLWHTME-AWEZNQCLSA-N 433.337 4.671 30 10 IJEE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(c2cc(Br)cc(F)c2C#N)C1 2118194746 OGOAYNAJVYOXJI-ZDUSSCGKSA-N 426.330 4.591 30 10 IJEE C=CC[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2121945065 RJOPHMUJYJWFGG-LBPRGKRZSA-N 434.115 4.625 30 10 IJEE C=CCC1(C(=O)N(C)[C@H](C)c2cc(Br)cs2)CN(C(=O)OC(C)(C)C)C1 2130037960 BDKCWTMMDOEBOU-CYBMUJFWSA-N 443.407 4.843 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)N(c2ccc(C#N)c(Br)c2)CCN1C(=O)OC(C)(C)C 2174816866 ITWFQGWMUMXGBJ-IAQYHMDHSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2Oc2cc(Br)cnc2C#N)C1 2198825920 CTZKZCNINOJIRN-FXAWDEMLSA-N 436.350 4.664 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2235717669 BETUETVVGJZKCF-PIKOESSRSA-N 433.390 4.567 30 10 IJEE COc1ccc(C#C[C@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)cc1 2237746950 IEWUMIUUHSHWPK-SFHVURJKSA-N 431.330 4.856 30 10 IJEE C=C(CN(C)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C)B1OC(C)(C)C(C)(C)O1 2256672812 NGNVSJNSXFVUJJ-UHFFFAOYSA-N 430.354 4.602 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCCN)CCN(Cc2ccccc2)CC12CCC2 2263014536 BHWVBVGGQPHECO-MUUNZHRXSA-N 434.624 4.940 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267553613 PERDHFXMARIQRM-GASCZTMLSA-N 446.353 4.853 30 10 IJEE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)o1 2294010711 GPFFCZNZWUUXQJ-UHFFFAOYSA-N 439.424 4.894 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@]2(N)C#Cc2ccc(Br)cc2)C1 2296220279 WLSMOLOXTXNBNS-KPLVRAHFSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](N)(C#Cc2ccc(Br)cc2)C[C@H]1C1CCC1 2296233653 ZJCOEZBQAVNEKE-UGKGYDQZSA-N 433.390 4.698 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2296274434 UQHINTSGQJQCDR-IEBWSBKVSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2296279210 MRUORVDFRWJLAK-UYAOXDASSA-N 433.390 4.592 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@H](N)C#Cc1cccc(Br)c1 2296279715 RSMRSKPUGTUDNI-KNQAVFIVSA-N 429.358 4.568 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCC[C@@H]2N1C(=O)OC(C)(C)C 2296280833 DWMQPWYDJCTVCM-LMCOJAPRSA-N 433.390 4.567 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 2296300014 BTNREAVNVPKSEM-PMACEKPBSA-N 435.406 4.862 30 10 IJEE C=C(CNCCC)CSc1cc(I)ccc1Br 2300789762 DIXKIJLGXDXOEW-UHFFFAOYSA-N 426.161 4.702 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 2313533017 LBAJRKSGBQAUSF-UHFFFAOYSA-N 443.462 4.683 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(Cl)cc(Br)c1F 2315460976 OYABKDBPMFAALA-GOEBONIOSA-N 433.749 4.809 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1ccc(Cl)cc1Cl 2321193329 XOVVGGIZWKIOLO-ZDUSSCGKSA-N 448.379 4.745 30 10 IJEE CN(C)CCCN1COc2ccc3c(c2C1)OC(=Cc1ccc(Cl)c(Cl)c1)C3=O 2322031880 DBQOLNCVQZOLJT-UHFFFAOYSA-N 433.335 4.713 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)cc1Cl)C3=O)CN(CCN(C)C)CO2 2322335791 VHDONSQCUKUYPU-UHFFFAOYSA-N 433.335 4.632 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2322904278 BBJGEZRTQXKMCG-UHFFFAOYSA-N 445.427 4.676 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-])Nc1nccs1 2323606853 GJFGVAPOVUXOSQ-UHFFFAOYSA-N 443.868 4.618 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)NCc1ccco1 2323620190 GLRVXSYDBGPEHX-UHFFFAOYSA-N 439.895 4.923 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccc[nH]2)cc1OC 2326193519 RBPCFRPXCREFOR-UHFFFAOYSA-N 447.564 4.583 30 10 IJEE CCc1ccc(C=Nn2c(CCc3ccc(Cl)cc3)nnc2SCCCO)cc1 2328096257 BWQGPKLRULWNCQ-UHFFFAOYSA-N 428.989 4.636 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc(F)cc1 2329143467 MZADZUMUSMPTMT-UHFFFAOYSA-N 446.935 4.589 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(F)cc1 2329523254 AIUPBWSZQRKTOK-UHFFFAOYSA-N 445.951 4.580 30 10 IJEE OCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(Cl)cc1Cl 2329618022 URTFERXASXYWLB-UHFFFAOYSA-N 427.744 4.872 30 10 IJEE CC(C)Oc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C(C)C 2331670023 IRNLOSVVURXVDV-UHFFFAOYSA-N 437.569 4.802 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1c[nH]c2ccccc12 2331678587 CZBDCAMEHOIIGB-UHFFFAOYSA-N 436.516 4.635 30 10 IJEE CCN[C@@H](C#CC(C)(C)OC)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2338218792 PVSSIZFHFYLIKW-INIZCTEOSA-N 425.367 4.875 30 10 IJEE CC[C@H](N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338520169 WVCWWNPVJBCNLX-DQEYMECFSA-N 434.433 4.691 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2cccc(F)c2Br)OC1(C)C 2339373913 GQKZSULTTBVUBD-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C[C@@H]1C[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339574456 IGHBRPWFVQLENM-RIBQSRIRSA-N 443.397 4.926 30 10 IJEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588148 DPKPSQVKPHSMDF-FLVLSHQESA-N 443.397 4.784 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1OC 21260677 YWSCJBDAPUEAGL-PZJWPPBQSA-N 449.547 4.885 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OC(=O)c2ccc3c(c2)OCO3)c1 34954233 YRQJRQUSKRVCTG-JXMROGBWSA-N 432.428 4.548 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 34954361 MZKXYPAVUJAKOM-NTEUORMPSA-N 433.416 4.727 30 10 IJEE CC[C@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 35724863 UYTZXRMWSYJKEO-KXBFYZLASA-N 448.552 4.560 30 10 IJEE Cc1ccc(C(C)C)c(OCCCN2C(=O)/C(=N\O)c3cc(Br)ccc32)c1 39854098 JNRRYESBDNOAIN-ATJXCDBQSA-N 431.330 4.875 30 10 IJEE C=CCNC(=O)c1cc(-c2csc(-c3ccnc(CC)c3)n2)n(C[C@H]2CCCO2)c1C 43251588 WKFNAMRMAIHCDQ-LJQANCHMSA-N 436.581 4.639 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1)Nc1cccc2ccccc12 59019644 DYXPSOFZQUGFTB-FSJBWODESA-N 436.928 4.788 30 10 IJEE Cc1c(/N=C/c2c(O)ccc3cc(Br)ccc23)c(=O)n(-c2ccccc2)n1C 100511649 LCINCOZXSVEFDR-ZMOGYAJESA-N 436.309 4.856 30 10 IJEE N#CCCn1cc(/C=C/C(=O)Nc2ccccc2CN2CCSCC2)c2ccccc21 109482628 DWVGQTWRZWYACU-ZHACJKMWSA-N 430.577 4.756 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)OCO2 169961413 LFHOIWQXZZKTGH-OAQYLSRUSA-N 449.846 4.557 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2ccccn2)c1 169990524 DPQAZGFROTUQRQ-HSZRJFAPSA-N 439.471 4.745 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2cccnc2)cc1 170002879 UTSQSVQYMBHVRN-HSZRJFAPSA-N 428.488 4.997 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)s1 170005845 GMHQVIAAVDLXPG-GOSISDBHSA-N 439.924 4.900 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1 170080452 AWHNGSAYRVZDGE-DEOSSOPVSA-N 429.472 4.503 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccc2C)c1 170086300 JEEMDGSEFLXHFC-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCCCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCOCC2)C1=O 170094588 UIXUCWUHGLFENJ-UHFFFAOYSA-N 426.601 4.856 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccc(C)o1 170100170 OZRKFAHOBDWDOJ-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(O)cc2)c1 170132167 OOIMMQZWUDMTFP-FYSMJZIKSA-N 441.483 4.807 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)c1 170189944 KPCGJSVLLRPJFB-HSZRJFAPSA-N 444.487 4.666 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1C(C)C 170207992 KLXFARVZUCFOCZ-HSZRJFAPSA-N 446.503 4.894 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccncc1 170210353 PKTONDPITAMOIL-SFHVURJKSA-N 429.314 4.531 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)ccc1OCC(C)C 170230188 WHERTLOUYKVGCA-XUZZJYLKSA-N 449.547 4.787 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccco2)cc1 170279421 ZHXVNOURHNRWHW-QFIPXVFZSA-N 432.476 4.527 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2sccc2C)cc1C 170316061 CUXGXHCLHZSMGT-FXAWDEMLSA-N 441.549 4.521 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1CCCN(C)C 170318176 DFVRLIMEFSEFQQ-OAQYLSRUSA-N 434.561 4.740 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccc(OC)c(O)c1 170322227 VFDSJFFSLOZZBB-QFIPXVFZSA-N 439.508 4.521 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)OCCO2 170325921 WXIZFKQFMUBOQD-DEOSSOPVSA-N 443.499 4.989 30 10 IJEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccccn3)nc2cc1C 170479247 QKAVCQUXSAYAHY-HXUWFJFHSA-N 437.521 4.524 30 10 IJEE O=C(/C=C\C1=N[C@@H]2C=CC=C[C@H]2N1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 254435197 ZPUVJZNDCUXXBJ-NZAJQASQSA-N 427.891 4.865 30 10 IJEE O=C1c2ccccc2C(=O)N1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 254605440 CLXSHNBQCKUWRT-UHFFFAOYSA-N 432.439 4.916 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(OC)c(Br)c1OC 407571169 KQHCRBOCBURAQX-YOEHRIQHSA-N 443.382 4.586 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Cn1c(-c2scnc2C)nc2ccccc21 463529136 WSDVETZRBHMQPW-UHFFFAOYSA-N 427.533 4.555 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1 464930746 SWUDFDNOXCZRJZ-UHFFFAOYSA-N 443.503 4.595 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 475557889 FTPJCTBOAYJZEX-UHFFFAOYSA-N 435.568 4.602 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1OC 485371271 FRFZGLSEKOXLRE-UHFFFAOYSA-N 426.498 4.561 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2cc(C)cn2)CC1 508802892 TWELWRCTAPNTLF-NRFANRHFSA-N 434.588 4.642 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 526514551 DYZZYPVZUIZACQ-HSZRJFAPSA-N 441.443 4.922 30 10 IJEE COc1ccc([C@@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526521614 MJOKMVNFQJTQEA-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE CSc1ccc([C@@H](CNC(=O)Cc2cccc(C#N)c2)N2CCc3sccc3C2)cc1 531384590 UWWJCFXLEJKCGT-HSZRJFAPSA-N 447.629 4.800 30 10 IJEE C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 569173269 NIIHSPRIKVVQPD-LPHOPBHVSA-N 436.487 4.813 30 10 IJEE N#Cc1cccc(CN(Cc2ccncc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586134802 NTBLSIZBRYXTHT-UHFFFAOYSA-N 432.332 4.651 30 10 IJEE Cc1ccnc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 586244121 SODUMDWRRFYGTK-UHFFFAOYSA-N 432.332 4.964 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 608875526 RBHCUCCZQZWCOU-KRWDZBQOSA-N 430.386 4.669 30 10 IJEE N#Cc1ccc(CNC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)c(F)c1 609229263 BHBOFBIZPUPDKG-OAQYLSRUSA-N 439.284 4.896 30 10 IJEE C=CCn1c(SCCCCS(C)(=O)=O)nc2sc(-c3ccccc3)c(C)c2c1=O 675293563 SEPUEJULXBBYFY-UHFFFAOYSA-N 448.635 4.536 30 10 IJEE Cn1cc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2cccc(Cl)c2)c(Br)n1 712418812 JNLRMWMINAPXHZ-CQSZACIVSA-N 425.714 4.842 30 10 IJEE CCCc1cc[n+](/C(C(=S)N=C2C=CC(=C(N)O)C=C2)=C(/O)c2ccccc2C)cc1 726569722 IRNOHPPVBPHHEH-UHFFFAOYSA-O 432.569 4.742 30 10 IJEE N#CCCN(CCN1CCOCC1)C(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 750592160 XIODFXCNPRDHIO-UHFFFAOYSA-N 447.366 4.740 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)/C(C)=C\c1ccc(Cl)cc1 758872918 IPPFWQLIIUQYKU-FUYCXPICSA-N 426.900 4.630 30 10 IJEE Cc1c(Br)ccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c1F 789076063 YKVYVVOHLFVPKM-UHFFFAOYSA-N 443.272 4.805 30 10 IJEE Cc1ccccc1-c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1ccccc1 802128847 XDLCEHFIENVOOM-RUZDIDTESA-N 435.531 4.751 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 802561271 VBHRGYCOXNLTLN-QGZVFWFLSA-N 439.585 4.687 30 10 IJEE C#C[C@H](NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccc(Cl)cc1 811960530 BYEXLUNXLJHMEF-IBGZPJMESA-N 434.845 4.736 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 829354492 RCHNBGZJNFRCPI-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE N#C[C@H](C(=O)COC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 916937578 GCGMBAQAVXJEGG-LJQANCHMSA-N 436.870 4.933 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2n[nH]c(NN=Cc3cccc4ccccc34)n2)c1 1083940062 VPOBPLIGJBWNNM-UHFFFAOYSA-N 430.537 4.752 30 10 IJEE CCCSc1ccccc1NC(=O)CSc1n[nH]c(NN=C(C)c2ccccc2)n1 1083980869 ZPVSZPZIBPIRHA-UHFFFAOYSA-N 440.598 4.874 30 10 IJEE COc1cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc(OC)c1 1084337867 ORMCYUQCHNMKAQ-UHFFFAOYSA-N 441.495 4.822 30 10 IJEE O=C(CSC(=C=[N+]([O-])O)SCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1088733842 LLFVWEKFEJQNTE-UHFFFAOYSA-N 442.345 4.936 30 10 IJEE Cc1nc(NC(=O)c2cc(Br)ccc2OC(F)F)sc1SCC#N 1125107891 GZCKXXDAEWMZMK-UHFFFAOYSA-N 434.287 4.683 30 10 IJEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1 1125759388 AHJITTMGCFPBMB-UHFFFAOYSA-N 442.466 4.681 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)s1 1130152617 ZUCWNSASCLHHAF-HNNXBMFYSA-N 447.066 4.959 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)c1 1130341074 AIDLYGSOLPFLCR-UHFFFAOYSA-N 431.486 4.898 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(-c4cccc(C)c4)c3)n[nH]2)c1C 1136553835 SDMDZTWVZWPAEP-UHFFFAOYSA-N 425.536 4.981 30 10 IJEE CCN(CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 1142366128 ADJOGNSLCKKTGC-HRAATJIYSA-N 433.474 4.544 30 10 IJEE N#Cc1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1Br 1164114360 GRKLMCRLPIELFG-UHFFFAOYSA-N 426.236 4.782 30 10 IJEE COc1cncc(/C=C/CCN(Cc2ccc(C#N)cc2)c2ccc3nc(O)[nH]c3c2)c1 1167788859 GZAPCYHOMWCJPT-DUXPYHPUSA-N 425.492 4.654 30 10 IJEE COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCC(=O)Nc2oc(C)c(C)c2C#N)c1 1192707904 FFQFUNMNRWYAKI-XMMPIXPASA-N 431.536 4.906 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1)c1ccccc1 1214849270 NEAZBKIIRSYBJW-LJQANCHMSA-N 444.491 4.844 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 1216738859 DDCCBIUHMYQICR-UHFFFAOYSA-N 441.919 4.828 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCO[C@H]1C(C)C 1229110545 SCQBBDLRRHWVAU-KXBFYZLASA-N 427.358 4.737 30 10 IJEE C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1266542637 DDYFYZPFMXWACQ-GFCCVEGCSA-N 434.805 4.822 30 10 IJEE C=CC[C@]1(C(=O)OCc2cc(Br)cc(C#N)c2)CCCN1C(=O)OC(C)(C)C 1270778597 CHMVTHQNAUGNDY-OAQYLSRUSA-N 449.345 4.710 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)CC=C 1286300554 BFSFUSLLIZUEAP-INIZCTEOSA-N 431.378 4.680 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1286532310 AFCGGRJMKOXCID-OALUTQOASA-N 445.405 4.805 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286532387 CSNRLWMHEJVDNJ-SFHVURJKSA-N 441.377 4.509 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(C)C)C1 1286621222 ACVIWUZVUODDNZ-AWEZNQCLSA-N 426.790 4.671 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286656088 PWPRQLXYXURVAR-IBGZPJMESA-N 441.576 4.648 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1286678663 BSJKDVHPZALVJM-QHCPKHFHSA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C)=C(Br)C1 1286689348 MRYLTDGGQDZHLQ-UHFFFAOYSA-N 436.423 4.869 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)CC(C)(C)C1 1286707740 IGIGVWDQZDPACA-LJQANCHMSA-N 434.588 4.800 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(CC)C1CC1 1286720681 ZZMCTFRRLYFNEC-UHFFFAOYSA-N 425.577 4.919 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(F)c1 1286750674 FNUHIFCDSCEANP-HXUWFJFHSA-N 428.533 4.580 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1Cc2cccc3c2[C@H](CCC3)C1)C(C)C 1286752115 RCUHXULWLFBNIP-RPWUZVMVSA-N 433.644 4.979 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)c1ccccc1 1286782252 PCNIEISYIATKHP-SFHVURJKSA-N 449.624 4.775 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N(C)CCC1CCOCC1 1286796799 WIKLAPSVFDGPHY-UHFFFAOYSA-N 436.556 4.713 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(C)C)C1 1286831203 BGFKKAUXSOQNFX-GHTZIAJQSA-N 428.602 4.582 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@](F)(C#N)C2)s1 1292559709 FONOCKGEBJACOY-NRFANRHFSA-N 445.951 4.721 30 10 IJEE CCOc1ncccc1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1296894387 HJTPCWALPDAFTK-AZUAARDMSA-N 448.571 4.615 30 10 IJEE C=CC1(CC(=O)Nc2ccc(Br)c(C)c2F)CN(C(=O)OC(C)(C)C)C1 1297251859 XYSQPDNJCBRCHX-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1300348876 NRNDBRCGLRAVAZ-FQEVSTJZSA-N 447.583 4.626 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@H]1CC 1300650544 UTCYFRSEKUPLJT-FGZHOGPDSA-N 431.559 4.869 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1csc(CC)n1 1300880472 IVOXUYAREBKHST-KKSFZXQISA-N 441.576 4.721 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1300944284 HYKGWGPCFSYWFV-KRWDZBQOSA-N 429.996 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSC[C@H]1C 1301139773 VSMFGNIUGMMZTM-MRXNPFEDSA-N 446.617 4.515 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCSC1 1301208771 DBOJVCHADQHYBS-CQSZACIVSA-N 425.371 4.755 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC(CC(F)(F)F)CC1 1301247047 ZBFVYJQHHCPLHA-UHFFFAOYSA-N 426.458 4.846 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1CCN1CCCC(C)(C)C1 1301354538 CNPLDHXVTYHMQO-UHFFFAOYSA-N 425.596 4.684 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCSC1(C)C 1301421170 PYEJZUSDHZCWRJ-IBGZPJMESA-N 437.613 4.664 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC1COC(C)(C)OC1 1301429203 KKCCRKVUHMJNDN-KRWDZBQOSA-N 448.995 4.710 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(CC)CCCC2)C1 1301545801 LLXHBJASYYMHGT-FQEVSTJZSA-N 440.588 4.714 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1301606008 HDZNMYXMZXHXSV-OAQYLSRUSA-N 432.597 4.523 30 10 IJEE C=C(C)c1cccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)c1 1304717671 CUSSRWXNJLBLFL-LJQANCHMSA-N 447.398 4.972 30 10 IJEE C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H](c2ccccc2)C1 1309578980 GUONOUUKLJEKQY-BMGDILEWSA-N 433.371 4.571 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 1310921552 RUXUCWRRHSKUHW-IBGZPJMESA-N 439.409 4.784 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 1313133695 VFNDRINMAXRXHW-AYRHNUGRSA-N 433.596 4.803 30 10 IJEE COc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCC2(C)C)cc1 1315533562 FLCSVCYYMBHYMR-CLOONOSVSA-N 437.588 4.822 30 10 IJEE C=CC1CCN(C(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)CC1 1353518504 PYZKRKMZFWGUMX-UHFFFAOYSA-N 428.195 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(N(C)C)CCCC1 1358877353 CDVWERJWWONWIO-SFHVURJKSA-N 425.646 4.608 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1358927669 GFAGOXXCOFWNFJ-FGZHOGPDSA-N 433.556 4.653 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1cccnc1Oc1cccc(F)c1 1358984700 DPWGXWWWYXRVGH-LJQANCHMSA-N 431.515 4.629 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1359117622 KYCAWHOPOCUULF-DENIHFKCSA-N 437.632 4.922 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1359136597 PAYUBHUPHOWVOZ-RBUKOAKNSA-N 432.659 4.802 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(OCCOC)CC1 1359146001 KKGGPXCITYUAEL-UHFFFAOYSA-N 445.778 4.636 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[C@@H]2CCCCO2)CC1 1359176181 OPNOGUBUDMXYLE-NRFANRHFSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1359206082 TYPAQJRXMJHZJK-PZJWPPBQSA-N 440.617 4.524 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CCCc1nccs1 1359259980 OQEGGUHLAZROPP-UHFFFAOYSA-N 436.560 4.705 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1Cc1oc(CCC)nc1C 1359261407 HRQPWXNPHHABOB-HXUWFJFHSA-N 439.535 4.759 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](OC(C)(C)C)C2)nnc1C(C)(C)C 1359310803 HKFLYXCICUXAIO-FQEVSTJZSA-N 426.605 4.973 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1 1360098537 AAHVOWGAZZVWGV-UHFFFAOYSA-N 427.250 4.852 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N 1436226214 BGUIAKADKSPUFX-XMSQKQJNSA-N 444.556 4.860 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3c(ccc(OC)c3OC)[C@@H]2CC)cc1OC 1437385861 GLASDLNTLOWSLK-TZTLJZABSA-N 437.536 4.826 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cccnc2Nc2ccc(OCC)cc2)cc1 1440894845 YQIAVIHDQUVVLU-UHFFFAOYSA-N 431.496 4.784 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC)c2ccc(Cl)c(Cl)c2)cc1 1442399853 YLSJCAQAEUBVTC-IBGZPJMESA-N 441.380 4.729 30 10 IJEE C#C[C@H](CCC)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1448939000 WQAPZNUMSJIDEI-OAQYLSRUSA-N 432.545 4.686 30 10 IJEE C#CC[C@]1(C(=O)N(C)Cc2cccc(Cl)c2Cl)CCCN1C(=O)OC(C)(C)C 1457744325 BTZYVHFOPUSJJE-OAQYLSRUSA-N 425.356 4.745 30 10 IJEE C=CCn1c(SC[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)nc2sccc2c1=O 1458829320 WAICKTRYPOIAML-HNNXBMFYSA-N 435.615 4.773 30 10 IJEE CCO[C@@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C12CCCCC2 1459573048 CHNCEHRGSCADFX-FGZHOGPDSA-N 432.008 4.955 30 10 IJEE Cc1cc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc(C)c1Br 1459830407 ARQVTOQNSBCQCI-UHFFFAOYSA-N 428.330 4.732 30 10 IJEE C=CCc1cc(C(=O)Nc2nc3sc(C(=O)OCC)c(C)c3s2)cc(OC)c1OC 1461300088 YDCBQBLNMJCRLB-UHFFFAOYSA-N 446.550 4.841 30 10 IJEE C=CC1(CC(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1464763452 YVQYLMDKFXKYTR-UHFFFAOYSA-N 430.936 4.586 30 10 IJEE N#CCCN(C(=O)c1cnc(-c2cccc(Cl)c2)s1)c1ccc2c(c1)OCCO2 1464803503 FITQFGMKELEGLW-UHFFFAOYSA-N 425.897 4.795 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1467757608 WBFSZCNFPQRQMW-CLOONOSVSA-N 430.548 4.708 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 1476005544 BFROIABZTAFXOR-OAQYLSRUSA-N 438.524 4.967 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507542193 OGQYWCKBBKSFEY-HBFSDRIKSA-N 434.506 4.726 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1507577317 QQUUPYJTXUUQSE-JOCHJYFZSA-N 449.643 4.848 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccnc(SC)c1 1507604946 OTKCENYKLRFGFU-UHFFFAOYSA-N 442.592 4.587 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCSCC(C)C 1507618459 MGQVANDGQMNQHE-UHFFFAOYSA-N 427.401 4.623 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCSc1nccs1 1507664505 SDKUSAJKONUODV-UHFFFAOYSA-N 442.013 4.700 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1 1507698903 UETQUPNSMUKHPI-IBGZPJMESA-N 446.064 4.804 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC[C@H](OCC)C(C)C 1507769642 KZCJHMRXMRNTGS-BKMJKUGQSA-N 438.616 4.917 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Cl)s1 1507783620 FVLSQCGHDILMCX-ZDUSSCGKSA-N 431.787 4.780 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(OC)CCC1 1507823577 LQGSLOSXEMSHJN-IBGZPJMESA-N 447.624 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1c(F)cccc1SC 1507826541 RZELCCVMIRXCGZ-UHFFFAOYSA-N 431.606 4.946 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](CCC)C1 1507839988 WVBQUJSUTREEBP-HXUWFJFHSA-N 444.645 4.874 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC2(CCC2)C[C@H]1CC 1507856984 NCEDXVDQAJEOFS-QGZVFWFLSA-N 446.979 4.882 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1507895597 ASMRHGAVEUGTAV-PMACEKPBSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507901212 DHRAFOGQGFCDLA-HSZRJFAPSA-N 425.596 4.531 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)c2nc(C)cs2)CC1 1507901304 ILCSPHKCHQTUKC-MRXNPFEDSA-N 425.577 4.979 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 1507924726 SIRMVZOSVRJWLX-HXUWFJFHSA-N 449.559 4.708 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1507939919 UDFKERZHBFLEIZ-QZTJIDSGSA-N 431.378 4.537 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1c(CC)nn(C)c1OC)C1CC1 1507988035 HPNSVEJQMPSMFS-UHFFFAOYSA-N 448.615 4.750 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1Cc1ccnc(N2CCCCC2)c1 1508014437 ZFMLOVPEWKBOPU-UHFFFAOYSA-N 428.584 4.866 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CCCO1 1508034023 SFTANBBYYYGXNH-DEOSSOPVSA-N 442.510 4.544 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCC2)C[C@H]1CC 1508150600 NPCCDBNTAAQUDM-GOSISDBHSA-N 427.574 4.932 30 10 IJEE Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(F)c2)cc1C 1515370979 FOJPLJPLKBBZCY-RUZDIDTESA-N 441.506 4.907 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCCn1nc(C)cc1C)c1ccc2c(c1)OCO2 1523443807 SCYJUNYVXATYSX-UHFFFAOYSA-N 447.535 4.807 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCCSc2ccc(Cl)cc21 1525060427 AQZDKWNLQSGRSW-UHFFFAOYSA-N 437.746 4.882 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C(=O)OCC)c1C 1525888321 YNVLJINFSDGHLK-CHWSQXEVSA-N 447.475 4.883 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cc(Br)c1)c1ccc(Cl)cc1 1528474052 CXJBQWXYTJCXCP-HNNXBMFYSA-N 427.523 4.969 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1528497904 QBVBSBNJXZFCNL-LJQANCHMSA-N 443.341 4.829 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCC(C)(C)C3)nn1 1529071843 JVESFUYDXDTSHW-UHFFFAOYSA-N 430.574 4.638 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C(F)(F)F)cc1 1532559864 VGGDGWQRAVFPDW-KUHUBIRLSA-N 439.792 4.660 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1 1533576586 MMVWUBRYNHUVKK-IBGZPJMESA-N 427.548 4.868 30 10 IJEE C=CCC1(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CCCCC1 1534269300 ZQGLBJVCACGONC-DAFNUICNSA-N 431.602 4.745 30 10 IJEE C#C[C@@H](NC(=O)C(F)(F)c1ccccc1Br)c1ccc(Br)cc1 1535484138 XAVSOPCRNBTTGK-OAHLLOKOSA-N 443.085 4.794 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCCC1(C)C 1538657027 HDBSASGSHZMTNL-FQEVSTJZSA-N 439.021 4.722 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1csc(CC)n1 1538984057 AKXKVEIVUBLKCR-CQSZACIVSA-N 444.402 4.541 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2C)C1 1539504725 MZKJONTUZRASKT-IBGZPJMESA-N 438.000 4.662 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539694749 LXBQUMFPDIUKQA-DLBZAZTESA-N 445.995 4.914 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CCOC)CC1 1539859819 WDSRVYHQBMEFNQ-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1539903398 YLPVEYOUXDAISO-JOCHJYFZSA-N 445.615 4.539 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)Cc1ccc(Cl)s1 1539976859 GGMFQGHUSQRIES-UHFFFAOYSA-N 430.965 4.633 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1C[C@H](C)S[C@@H](C)C1)C(C)C 1540152465 VQXLWBFFUOUJQC-JAXLGGSGSA-N 431.694 4.965 30 10 IJEE C=CCOc1ccc(CC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 1542584910 AAETWCPBLGEXPS-UHFFFAOYSA-N 435.442 4.515 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)c3ccc(OCC(C)C)cc3)n[nH]2)c1C 1543182887 RBCPBUKKKBQOMR-UHFFFAOYSA-N 449.599 4.818 30 10 IJEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1544083368 GDYWRLHISJTEBI-NRFANRHFSA-N 435.524 4.676 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)cc1 1544250555 FLDVOIOWUUYOBP-QFIPXVFZSA-N 447.535 4.886 30 10 IJEE COc1ccc(C[C@H](C)Cn2c(N3CCC(CC#N)CC3)nnc2C(C)(C)C)cc1OC 1554885217 GLDCVFCDSNPCHC-SFHVURJKSA-N 439.604 4.602 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@]2(CO)CCCc3ccccc32)cc1OCC 1560449855 IAHSPADQKOFGAM-HSZRJFAPSA-N 446.385 4.726 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccnc(C(F)(F)F)c1 1562929005 DJZZSLFRMDGSPD-UHFFFAOYSA-N 430.224 4.749 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)c1ccc(Br)cc1 1563999034 WRFUNUQIOHGEMG-LJQANCHMSA-N 432.337 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1csc(-c2ccco2)n1 1587667224 FNNKUQPMHMUFAF-GOSISDBHSA-N 447.564 4.697 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1cc(C)cc(C)c1 1587932341 PPUQPHOONCBXGB-KRWDZBQOSA-N 434.609 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1589608427 HTLXKIZWKMFSCI-MUJYYYPQSA-N 436.398 4.642 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1589742750 YLSREECLNAXMMM-KRWDZBQOSA-N 427.499 4.584 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1594202631 SFROLIKNYAPTQQ-ZHRRBRCNSA-N 447.421 4.907 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](CCC)C1 1594693298 XAGKSLVYTMITQZ-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1594787956 CRCUWNUVKRWMDD-HXUWFJFHSA-N 444.023 4.503 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1cc(F)ccc1F)C1CC1 1595026445 LCJRXONYOZFZAP-UHFFFAOYSA-N 448.315 4.527 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC=CO1)C1CC1 1595033794 PVWDBHBBZKSINM-GOSISDBHSA-N 429.362 4.864 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1Cc1ncccc1C 1595190738 GNBBORSMGIWEEX-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(C)=C(Br)C1 1595890080 IKOQBPBAQKVFPA-UHFFFAOYSA-N 447.446 4.976 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@]2(C)CC2(C)C)c1 1596743092 CTKMEZYZQVIRNW-HSZRJFAPSA-N 447.000 4.887 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 1597565219 LIAWZFQSKWETOG-OAQYLSRUSA-N 443.588 4.937 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC)CC#N 1611083604 TYJKMJGLATZKMP-KOSHJBKYSA-N 431.536 4.668 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2CCCCO2)c1C 1611821882 AQPUMWGGDFVKIH-IFMALSPDSA-N 437.588 4.734 30 10 IJEE C=CCn1c(SCCO[C@H]2CCCCO2)nc2sc(-c3ccccc3)cc2c1=O 1613426059 IHVPRNATYURPLW-IBGZPJMESA-N 428.579 4.946 30 10 IJEE C=CCC[C@H]1CCCN1CC(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 1620642354 RJXPPTBLIQNVRJ-XUZZJYLKSA-N 431.580 4.855 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Br)c1ccc(F)c(F)c1 1622047445 UWVVPEYDSZPIHU-MRXNPFEDSA-N 436.705 4.976 30 10 IJEE CC#CC[C@H](CO)NC(=O)Nc1ccc(SCc2ccccc2)c(Br)c1 1625861965 HTABWSRTNVDRRR-QGZVFWFLSA-N 433.371 4.637 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)C(C)C 1628517486 UMELAOSMEXNKHF-NHCUHLMSSA-N 434.422 4.994 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1)C(C)C 1628521271 MUYONDZTVNUFBD-YADHBBJMSA-N 448.449 4.864 30 10 IJEE C=C(C)[C@@H](NC(=O)CSc1nccn1-c1ccc(OC)cc1)c1ccc(F)c(F)c1 1634453645 MFVIJISBMGSKPZ-OAQYLSRUSA-N 429.492 4.685 30 10 IJEE C=C(C)[C@H](NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O)c1ccc(F)c(F)c1 1638961414 CJNCHBJKKXISDE-FQEVSTJZSA-N 426.385 4.666 30 10 IJEE Cc1cc2c(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)n[nH]c2cc1C#N 1639802720 BNWLBCWEMLTNAH-UHFFFAOYSA-N 435.896 4.963 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CNC(=O)OC(C)(C)C 1640575385 PKNPXSYCDAGULJ-IBGZPJMESA-N 447.576 4.899 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1)c1ccccc1 1640809143 KHBWTKJOVULUNZ-JOCHJYFZSA-N 430.589 4.611 30 10 IJEE COc1ccc([C@H](NCC(=O)Nc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 1642391692 GWMVYMYDCNENJV-HSZRJFAPSA-N 439.437 4.903 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)c1 1642475954 VUDVFVMCCPVFFZ-UHFFFAOYSA-N 430.939 4.732 30 10 IJEE C=CCn1c(SCc2ccc(C3(C(=O)OC)CC3)cc2)nc2cc(Cl)ccc2c1=O 1643357562 QSPZACHPZXTCAM-UHFFFAOYSA-N 440.952 4.733 30 10 IJEE Cc1c(-c2ccccc2)sc2nc(SC[C@H](O)CC#N)n(-c3ccccc3)c(=O)c12 1643539772 BECWJDBCIAPEMA-GOSISDBHSA-N 433.558 4.789 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1647997899 GHNCUKHDBYXZTD-VWLOTQADSA-N 425.488 4.718 30 10 IJEE C=CCn1c(SCC[C@@H]2Sc3ccccc3NC2=O)nnc1-c1ccc(F)cc1 1656064668 GMUVHATZAIGYQH-SFHVURJKSA-N 426.542 4.865 30 10 IJEE Cc1cc2c(cc1Br)N(CC(=O)Nc1sc(C)c(C)c1C#N)C[C@@H](C)O2 1657508983 HDOGFNCMAWHWGN-LLVKDONJSA-N 434.359 4.534 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)C1 1658675903 AUYXJMOLGXKWGD-INIZCTEOSA-N 435.421 4.856 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1ccccc1Cl 1661874886 AFOVQVIJGDEONQ-UHFFFAOYSA-N 432.742 4.760 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1OC 1662187628 GFDWDXFKXBKOEF-AEFFLSMTSA-N 437.422 4.765 30 10 IJEE CC(C)(NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccccc1Br 1662285952 FSODKCQQDCTBPT-UHFFFAOYSA-N 447.276 4.553 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)c(F)c1 1662438350 AUVPVWIITFPJGJ-UHFFFAOYSA-N 440.462 4.897 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1OC 1662947415 TXGWHEWYRHXQCR-LEWJYISDSA-N 434.374 4.870 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc1 1664779058 ITPLFPAGQSBDCY-NJYVYQBISA-N 448.629 4.508 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 1670845473 PECLGZGFDCJNQH-IBGZPJMESA-N 438.410 4.892 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(F)c(F)c1 1671852443 YOSGXMHAAADIEY-RBUKOAKNSA-N 435.515 4.813 30 10 IJEE C#C[C@H](NC(=O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Cl)cc1 1674020805 QBMGRPLDMSNCDP-FQEVSTJZSA-N 445.991 4.837 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)N[C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)c1 1674426574 PHYGYAJRIVUHFE-QGZVFWFLSA-N 444.240 4.516 30 10 IJEE C=C(CC)CNC(=O)N1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1683144460 WFABYRWJJSPTHH-LJQANCHMSA-N 429.561 4.545 30 10 IJEE C=CCCC[C@H](NC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F)c1ccccc1 1684894348 PFERUGFDPXWIMD-PMACEKPBSA-N 445.485 4.903 30 10 IJEE C#CCN(C(=O)NCC1CCC(C(C)(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1685442380 ONRLXFIYPOHZIH-UHFFFAOYSA-N 433.637 4.883 30 10 IJEE C#CCN(C(=O)N[C@H](COCCC)Cc1cccc(Br)c1)C1CCCCC1 1686179376 XQNNXWRRYNYAIL-FQEVSTJZSA-N 435.406 4.764 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1689943563 VKANKGILRWWVHT-VAMGGRTRSA-N 441.645 4.759 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCCNc1ccc(C(F)(F)F)cn1 1689953966 GUKVEEAZGUTFAZ-UHFFFAOYSA-N 448.880 4.584 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1ccc(Oc2cccc(F)c2)nc1 1690048928 TWEPFPLPRZHYBI-UHFFFAOYSA-N 445.542 4.704 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC1(C)C 1690053849 JMQPIOLOVKIFEF-MRXNPFEDSA-N 431.367 4.673 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCC(F)(F)C1 1690055436 VKHDRZQVLKIXNM-LJQANCHMSA-N 428.552 4.777 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1690227789 HHULKKYWZAXICF-UHFFFAOYSA-N 430.394 4.691 30 10 IJEE C=C(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1690323030 YAEVJTCGVNPGAA-NRFANRHFSA-N 437.975 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCc2nccs2)CC1 1690369555 PBEXCDFBXSUAML-UHFFFAOYSA-N 430.375 4.563 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1690441584 BKWIIUQEHFWHOI-NRFANRHFSA-N 449.624 4.880 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCSC(F)(F)F 1690558222 IUJJRMBBZUVIIO-UHFFFAOYSA-N 444.486 4.657 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CC1 1693696873 GUTZUABGNDLDQI-PQNGQFLHSA-N 434.632 4.952 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)CN1CCCCC1 1705592454 JUMKFMIBPJZEOW-QHCPKHFHSA-N 445.655 4.828 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CC1CCN(CCC(C)C)CC1 1705607663 LXGSPLLEWVRRCT-UHFFFAOYSA-N 433.600 4.909 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCC1=CCCCC1 1705624029 NUOHYNMKINJUBF-UHFFFAOYSA-N 428.964 4.584 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1cccc(F)c1 1705664342 ZKCCNBJSBPHKJN-FQEVSTJZSA-N 426.586 4.777 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705722109 VHYFMFFGUGTEDF-UHFFFAOYSA-N 434.853 4.546 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(C)COC2)CC1 1705783918 AAKMIAPMBKAOPI-UHFFFAOYSA-N 445.007 4.690 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC12CCOCC2 1705798210 MWHMQWOJEJPJSJ-IBGZPJMESA-N 429.996 4.993 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCO[C@H](C)C1 1706462116 BQGOUPIZWFLPBJ-TZIWHRDSSA-N 427.568 4.589 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCN(C(C)C)C1 1722404941 HMVVKINRENCMDA-UXHICEINSA-N 439.673 4.711 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1722487808 XINHKHMATTXCGJ-KRWDZBQOSA-N 447.377 4.972 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCOC2(CCCCCC2)C1 1722551555 BKJRFWQQEBGHMW-UHFFFAOYSA-N 436.934 4.829 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCN(C)CC(F)(F)F)CC1 1722564462 QLTVYHPZPXWYDE-HXUWFJFHSA-N 435.538 4.861 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2oncc2C1 1722586867 CXPDJOSZOZKELI-UHFFFAOYSA-N 437.544 4.505 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1)c1ccccc1 1722595696 YKZGIUXDNNJHMU-FPOVZHCZSA-N 435.538 4.657 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC(C#N)CC1)c1ccccc1 1722596070 BPDSTQGVUQYZMB-NRFANRHFSA-N 432.597 4.734 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1722667754 QJGIHJBEJAVCAP-IYARVYRRSA-N 448.958 4.876 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC2(CCC2)C[C@@H]1CC 1722695568 IFIILKHWCCAQPR-INIZCTEOSA-N 448.398 4.713 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1722732321 JXTHUNSKARTZDZ-INIZCTEOSA-N 435.663 4.653 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccncc1Cl 1740661853 KYBQGPAWSROMCT-OAHLLOKOSA-N 430.339 4.628 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(C)CCCC1 1740682291 QBDZUPFTUAUUBV-UHFFFAOYSA-N 426.630 4.942 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1C(C)C 1740787290 GJNXCTRPRKMKIY-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1C2CCC1(C)CC2 1740814005 PNZAPLUGLMDNAT-UHFFFAOYSA-N 437.769 4.893 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)C1 1740862508 VUKFGRVWEIHPBZ-IBGZPJMESA-N 434.588 4.829 30 10 IJEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740883949 KVPGFFJYFOHDKH-RUZDIDTESA-N 438.572 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCCN1CCC(C)CC1 1740915221 YPFFSXNIIOUTDG-UHFFFAOYSA-N 434.632 4.762 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C2CCC2)CC1 1740942932 STHYVPDXIDQSGV-GOSISDBHSA-N 429.996 4.549 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC(C)(C)C)C1 1740970126 FGQCIDXWYIPCOI-OAQYLSRUSA-N 439.604 4.755 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1740996007 DAAWSWVIPXXPLC-GOSISDBHSA-N 427.618 4.566 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1740996337 MGKOIFKSOJZWEI-IXDOHACOSA-N 436.622 4.807 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1741001566 XOMKAQFMMUCVEJ-YLJYHZDGSA-N 449.020 4.750 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1741005422 IVACAZLNGAQMFL-GOSISDBHSA-N 436.572 4.875 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1743437411 BVAGWXCKBFODSC-QFIPXVFZSA-N 431.588 4.908 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCCC1(C)C 1748684078 CCFOGNZFYVRAIN-FQRUVTKNSA-N 438.616 4.688 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](N2CCCC2)C1 1748738387 ALGPBTSALQSHHC-GOSISDBHSA-N 432.399 4.730 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Br)c2)nnc1N1CCCCCC1 1749085385 BBJVBMVUAAJJPJ-UHFFFAOYSA-N 440.183 4.997 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(CCc1cccc(F)c1)C1CC1 1749098499 BRYPRBYOSCDEPU-UHFFFAOYSA-N 442.336 4.599 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C)CC1 1749124907 RABASMOISUBRAQ-MSYCTHLASA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CC=C(C)CC1 1749126014 ZJAAWKKAFAUPCN-PXNSSMCTSA-N 443.389 4.845 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)C[C@@H](C)CC 1749264696 CRLCMIXADCBILO-INIZCTEOSA-N 442.995 4.861 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1749287968 IPXDNVUFGTWEBX-RBUKOAKNSA-N 445.558 4.823 30 10 IJEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[C@@H](OC)C(CC)CC)CC1 1749303409 JUHPURDCFHPABO-NFBKMPQASA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1749416008 SGGCLMQKTQRCEQ-OAHLLOKOSA-N 440.336 4.874 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1C 1749549282 VEAWATKMZMCGBC-DEOSSOPVSA-N 438.597 4.541 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1cc(F)ccc1OC 1749590670 CZRFFIODSKCLHV-QFIPXVFZSA-N 440.519 4.544 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@@H]1C 1749763700 GOECGDREODEFEU-QYZOEREBSA-N 449.665 4.894 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCSC2)c1C 1751317524 FEXIZPCVMYVDJJ-ICSRJNTNSA-N 425.602 4.528 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2CCO[C@H](C)C2)cc1 1751585697 HBGWVODPNHPQKO-MSYCTHLASA-N 443.592 4.526 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)N(C)C)CC[C@H]1C 1752217120 ANWCAPNJDKURMI-REHUZNOOSA-N 434.632 4.810 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1760118596 IWVIEFKRDIOZFQ-GLDPYIMESA-N 433.600 4.649 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCCS1 1760224871 BJYZIOXZFJRYNX-WIYYLYMNSA-N 428.602 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(O)(CC)CC 1760288938 DHPZDFSADKOZFQ-UZUQRXQVSA-N 426.630 4.675 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCOC1 1760292140 QYMKDHWGGXNJHN-HFZDXXHNSA-N 436.600 4.789 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccc(Oc2ccccc2)nc1 1760338419 JNROWUFIGIOMEZ-UHFFFAOYSA-N 440.551 4.902 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C(C)(C)C1 1760367316 GWHRYMNVMFVRNT-LBPRGKRZSA-N 426.790 4.671 30 10 IJEE C=C(Cl)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1760379098 IIBQSYMQVZLQTL-LPHOPBHVSA-N 441.790 4.672 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCN(CC)C2)CC1 1760385455 RFSYAIRBGIPNEG-GOSISDBHSA-N 444.421 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1760409000 WJOUJRSDKNZOHP-QUCCMNQESA-N 440.588 4.918 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCc1ccccc1F)C1CC1 1760471230 PTXLZYUZXFWSMW-UHFFFAOYSA-N 444.352 4.583 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCC[C@@H]1C 1760485672 MNPOMFBGYNYJTJ-UUOWRZLLSA-N 438.597 4.759 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC1(c2ccc(F)cc2)CCOCC1 1760493789 MTIHTLWYHQYHDD-QFIPXVFZSA-N 440.563 4.586 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C(C)(C)C 1760498908 ILSUVCBESDWNFV-QHCPKHFHSA-N 433.600 4.945 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1760569741 ZBVWYQOXGOWWAH-NLWGTHIKSA-N 430.593 4.930 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2cccnc2)n1CC1(C)Cc2ccccc2C1 1761077699 GIIHLZRVAZBCOC-UHFFFAOYSA-N 442.611 4.835 30 10 IJEE CC[C@@H]1c2ccsc2CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(O)(CC)CC 1765040460 ACZQGLXMGFHDKH-HXUWFJFHSA-N 435.597 4.943 30 10 IJEE CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1765713733 HDVNWXSBHCEMJS-HXUWFJFHSA-N 440.592 4.602 30 10 IJEE COc1cccc(C(C)(C)Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC#N)CC2)c1 1770305065 ANSQPAQVFGDFJB-UHFFFAOYSA-N 444.583 4.765 30 10 IJEE COc1ccc2nc(SCC(=O)Nc3cccc(Br)c3)c(C#N)cc2c1 1858204791 RIFDROMKQMVSIJ-UHFFFAOYSA-N 428.311 4.608 30 10 IJEE Cc1c(Cl)cccc1NC(=O)COc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858828255 COHBUAKQBYVRSC-UHFFFAOYSA-N 435.871 4.577 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478984 VUVZHXUKHPCRHA-HSZRJFAPSA-N 441.483 4.780 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862505210 AHXPVJRLWYLQOB-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CC(C)C)cc1OC 1862538776 PZNSHZNLTDEIPA-HSZRJFAPSA-N 437.536 4.891 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@H]2c2ccc(F)cc2F)c1 1862561927 ZOSJVINKQNPPDN-QHCPKHFHSA-N 448.469 4.758 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc2ccccc12 1862609394 LYSYXFRFPLHUCX-DEOSSOPVSA-N 443.499 4.845 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 1862674720 RNTVDXLLRSFFJN-NRFANRHFSA-N 437.854 4.963 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 1862689729 XULZIASVEKTASR-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 1862747620 TXOPTZWHQBFJAM-QHCPKHFHSA-N 442.471 4.724 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(CCCc3ccccc3)C2=O)c1 1863146034 MPKBFKBAFYTOAY-UHFFFAOYSA-N 425.463 4.522 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(C3CCCCCCC3)C2=O)cc1 1863238021 FQIQCTPIVPKAOJ-UHFFFAOYSA-N 444.491 4.771 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@H]1c1ccco1 1864459639 HGVFWDODGXCNPH-HXUWFJFHSA-N 428.577 4.620 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1ccc(C#N)cc1 1866732784 HPFCIBGULJCWIA-XZOQPEGZSA-N 437.609 4.873 30 10 IJEE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(C#N)cc3)nc(C)n2)cc1C 1868496565 CHHGKGYCJDADRY-OAQYLSRUSA-N 427.508 4.569 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CN(CCCC)CCCC)cc1=O 1870560710 IGHKSSQIQNLPAU-UHFFFAOYSA-N 433.596 4.987 30 10 IJEE C=CCOc1cn(Cc2cccnc2)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1870810825 UFDSLUZWSVMSDM-UHFFFAOYSA-N 444.579 4.705 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(NC(C)=O)c3)cc(C)c2C1=O 1871364702 GQHOBMPURQVQLU-QRVIBDJDSA-N 443.455 4.797 30 10 IJEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1871365024 LJLUKUKCXOILNV-XKZIYDEJSA-N 446.415 4.623 30 10 IJEE CCOc1ccc(CCC(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1OC 1871368242 BBKXRFFHNBBSQY-OYKKKHCWSA-N 445.471 4.643 30 10 IJEE CCCCCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871421979 PMVZVUNHCYTFTE-BKUYFWCQSA-N 425.437 4.713 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O 1871461175 YTFJXZBFNAJSKE-HAHDFKILSA-N 436.552 4.705 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 1871805079 XXZJHQUNKJLSKJ-ZDUSSCGKSA-N 446.878 4.563 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1)S(=O)(=O)CCC 1872273160 FDNPRWTYSPTWJV-FQEVSTJZSA-N 438.952 4.777 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(N3CCC(C)CC3)cc1)n2CCC 1873612562 BCPNZTAJZILJDL-UHFFFAOYSA-N 432.572 4.928 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CC(=O)N(CCCC)[C@@H]1c1cccc(OC)c1OC 1873891392 ARPCIRJZRJXCKZ-NZQKXSOJSA-N 432.605 4.870 30 10 IJEE COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1OC(C)C 1874365522 GYJHOYXWHXVHBX-FSJBWODESA-N 444.944 4.533 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SCCc2ccccc2)cc1 1874376499 ZIHXILFPGDUKFY-YZSQISJMSA-N 432.524 4.931 30 10 IJEE OCCCSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Br)cc1 1874408933 WVYIRXMVRULTOH-KGENOOAVSA-N 437.407 4.520 30 10 IJEE CC(C)(C)Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2 1874439817 UTUBBVQJIKLGSE-KOEQRZSOSA-N 436.581 4.855 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(Cl)cc1 1874481243 PVJOSESGGZBARP-YDZHTSKRSA-N 427.961 4.842 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)OCC(C)C 1874610937 UEOIQVXUTUFSDW-RUDMXATFSA-N 447.871 4.731 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c([N+](=O)[O-])c2)cc1C 1874632938 CYPPKGPNWOUKJN-QPJJXVBHSA-N 437.477 4.582 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)c(OC)c1 1875178396 HQSBQFSUCUTIMO-JXMROGBWSA-N 428.481 4.569 30 10 IJEE C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CNC2CC2)c1Cl 1914947118 YVXLHGZVCNFMBJ-UHFFFAOYSA-N 425.381 4.622 30 10 IJEE CN[C@H](CC#CC1CCCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1944819259 JPKFZZIFFWVRNF-RPWUZVMVSA-N 427.633 4.574 30 10 IJEE C=C([C@H](NC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)[Si](C)(C)C 1976564175 GRSOAYMKVBWWBW-URXFXBBRSA-N 432.681 4.852 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)CC1 1984690660 NQLWKMPXDOHROV-DFBJGRDBSA-N 445.563 4.702 30 10 IJEE C=C(Br)CCOc1c(Br)cc(Br)cc1CNC 1999740746 HFZWPBYTKYVPML-UHFFFAOYSA-N 427.962 4.609 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NC 2047967723 LNAAISWZJCRXNO-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NC 2047976153 KGZOHXQPSZDJCP-HOTGVXAUSA-N 429.786 4.540 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(Cl)cc(Br)c2)NC)C1 2077084141 DPEJETATRWTWOO-MRXNPFEDSA-N 429.786 4.847 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077975069 GFSRCYWWEUVBRM-VABKMULXSA-N 446.632 4.524 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(O)c1 2079031295 ITFRMVQQWYIVKZ-INIZCTEOSA-N 435.309 4.670 30 10 IJEE CCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2F)c(C(F)(F)F)c1Br 2079207023 AKBBBPODVCGSES-UHFFFAOYSA-N 448.136 4.561 30 10 IJEE CC[C@H](c1ccc(OC)c(C)c1)n1nc(C(F)F)c(C=NO)c1I 2080036251 VWWBAVIYEUVILC-GFCCVEGCSA-N 449.239 4.550 30 10 IJEE CC[C@H](c1ccc(OC)cc1F)n1nc(C(C)C)c(C#N)c1I 2080038608 SEYFIYSGXJMBQW-OAHLLOKOSA-N 427.261 4.630 30 10 IJEE CC[C@@H](C)[C@@H]1CSC(=Nc2ccc(I)c(Br)c2)N1 2081319182 LQWRYBJHJOQXCD-PELKAZGASA-N 439.160 4.792 30 10 IJEE O=C(NC[C@@H](NCc1ccc(F)cc1C(F)(F)F)C(F)(F)F)OCc1ccccc1 2146528646 ORPODXUCDZVEHU-MRXNPFEDSA-N 438.343 4.791 30 10 IJEE Cc1c(Cl)cc(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)cc1Br 2167377106 MWSAKBQPOLVJAB-STQMWFEESA-N 440.574 4.575 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cccc(Br)c2C#N)Cc2ccccc21 2174768048 QXPSHDYWNRJRGV-SFHVURJKSA-N 428.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 2174813867 AYUHYHCGFLXAGV-SJLPKXTDSA-N 434.378 4.937 30 10 IJEE C[C@@H](C1CC1)N(CCC#N)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2181047758 PQVBBXKGGOTLJV-ZDUSSCGKSA-N 436.350 4.950 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC[C@](C)(C#N)C2)cc1NC(=O)OC(C)(C)C 2181048428 SNIXLGHXECMCHO-HXUWFJFHSA-N 436.350 4.870 30 10 IJEE C=C([C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221690837 JDYNVDDRJVYRDI-DLBZAZTESA-N 427.459 4.646 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1C(C)C 2224265403 GRKHJWXOEJEUED-RHSMWYFYSA-N 429.403 4.737 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)[C@H](O)CC#C[Si](C)(C)C 2229110394 RDROOWNGGCJUHT-ZWKOTPCHSA-N 440.454 4.517 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)c2sc(C)c(Br)c2C)CC1 2234514335 SDCWGMZPSNWAOA-UHFFFAOYSA-N 440.212 4.921 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@H](O)C#Cc1ccccc1Br)C1CCCC1 2235729949 JRMUDUDMWOAIJP-RTBURBONSA-N 436.390 4.883 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](C#Cc2ccccc2Br)NCCC)C1 2235734869 YBIYRXXIYCNXSZ-IBGZPJMESA-N 433.390 4.782 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2235735346 YVEVSIKYAITFSH-PKOBYXMFSA-N 433.390 4.568 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 2256013397 FIGZUQNALLJCTL-UHFFFAOYSA-N 443.755 4.997 30 10 IJEE CC1(C)OB(c2cnc(N[C@H]3CC[C@@H]3OCc3ccccc3)c(C(F)(F)F)c2)OC1(C)C 2272994881 CNGMQKQFNXEDGF-OALUTQOASA-N 448.294 4.559 30 10 IJEE CN(c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12)[C@H]1CC[C@@H]1OCc1ccccc1 2285380434 HVEBJNZNVQPCRU-DQEYMECFSA-N 444.384 4.718 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3cc(Br)c(F)cc3Cl)C2)OC1(C)C 2285978927 YVHIXAJWZWZJTR-UHFFFAOYSA-N 444.537 4.645 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296216641 MLIRRNWRUMCSOE-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296220162 VMLQHTLOXMURBX-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](O)C#Cc3cccc(Br)c3)CCC[C@H]12 2296233545 YMEFBCPFIHNKNQ-NNMXDRDESA-N 434.374 4.731 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2296298946 PJQOGMHWVJFTDL-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE C=CCSc1nnc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@@H]2c2ccccc2)s1 2296303782 DHLGFQCUSFMVDE-HNNXBMFYSA-N 441.559 4.504 30 10 IJEE COc1ccccc1[C@H]1C(=C(O)c2ccc3ccccc3c2)C(=O)C(=O)N1c1cc(C)on1 2296596606 WQHCTEIBJMKBRV-QHCPKHFHSA-N 440.455 4.771 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)c1OC 2296777655 XOZKXHAGKWSRFU-UHFFFAOYSA-N 435.501 4.734 30 10 IJEE C=CCOc1c(Br)cc(C=C2N=C(c3ccc(C)cc3)OC2=O)cc1OC 2297327892 NZTKCMFSTNKUFC-UHFFFAOYSA-N 428.282 4.675 30 10 IJEE CCc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)cc1 2297378510 YBIZVKPPARVYOH-UHFFFAOYSA-N 442.537 4.936 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@@H]1c1ccccc1F 2297734985 BJLLZWPJIUJHLI-HSZRJFAPSA-N 443.430 4.706 30 10 IJEE N#Cc1ccc(Sc2cc(I)ccc2Br)c(N)c1 2316467753 INWPDVYBSMMKBL-UHFFFAOYSA-N 431.096 4.659 30 10 IJEE C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN1C(=O)OC(C)(C)C 2317346386 HULWPMGTYOUDSY-VJXXYTJISA-N 430.354 4.503 30 10 IJEE COc1c(Br)cc(Br)cc1C=NNC(=S)Nc1ccccc1 2323046666 DRHIDHFMPNILMT-UHFFFAOYSA-N 443.164 4.541 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1OCC(=O)OC 2324069863 MGBGZIIGJNSURG-UHFFFAOYSA-N 441.480 4.739 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1Cl 2324608300 JUVBPYJIXTYULI-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)cc(C)c3C2=O)o1 2325264034 KWEVWRKLMKYSPE-UHFFFAOYSA-N 449.415 4.866 30 10 IJEE Cc1cc(OCC(=O)NC2CCCCC2)cc2c1C(=O)C(=Cc1ccc(N(C)C)cc1)O2 2325329699 CLCBZGXLDXFEFO-UHFFFAOYSA-N 434.536 4.505 30 10 IJEE CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc(OC)c1OC 2326991780 DFVRWOVIVQFBMO-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccncc2)cc1 2328572119 NMZGGTUIVPSXFU-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE Oc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccccc2)cc1 2329203008 LHYHCCSGFMBFIB-UHFFFAOYSA-N 430.533 4.780 30 10 IJEE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 2330532521 IJOVGWPFFIOXMZ-XMMPIXPASA-N 443.934 4.981 30 10 IJEE CCCNC(=O)CSc1nnc(-c2cccs2)n1N=Cc1cccc2ccccc12 2330566810 BIOUINNFHXYVNM-UHFFFAOYSA-N 435.578 4.660 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccs1)c1ccccc1 2331094190 QZMZHOBBCVDHIH-INIZCTEOSA-N 439.610 4.849 30 10 IJEE C=CCSc1nnc(C2CCC2)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331539309 MVXCROVKJLMTFZ-UHFFFAOYSA-N 437.363 4.573 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)OCC(C)C)nnc1C1CCC1 2331541535 ZITVHVHMLMLSBJ-UHFFFAOYSA-N 430.574 4.508 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)cc1Cl 2331698469 BHIRCEQIUZZCPL-UHFFFAOYSA-N 445.855 4.867 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339588199 FCCQECZKZBOJIA-RVDMUPIBSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@@H](O)C#Cc3ccc(Br)cc3)C[C@@H]21 2360194406 MXNMSVQDQVGEJL-HNJRGHQBSA-N 434.374 4.587 30 10 IJEE COc1ncc(Br)c(C)c1[C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2368181577 DMQPEIHKRVNACK-CYBMUJFWSA-N 439.314 4.663 30 10 IJEE CCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N\c1ccccc1C(=O)O 16931910 SWBMCPWBJUWQOR-LCUCDLPVSA-N 431.311 4.771 30 10 IJEE Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Br)c1 17099407 NQQXXAGHCNTRPD-YCRPNKLZSA-N 435.325 4.765 30 10 IJEE C=CCn1c(COC)nnc1SCC(=O)Nc1ccccc1SCc1ccccc1 20426044 WMDNWVHROOAKIT-UHFFFAOYSA-N 440.594 4.634 30 10 IJEE N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1CCc1ccccc1 21176608 DPRQHBHMSHTPGM-UHFFFAOYSA-N 430.529 4.883 30 10 IJEE Cc1cc(C)c2c(c1)/C(=N/Nc1ccc(C(=O)NCCCCc3ccccc3)cc1)C(=O)N2 23317029 YVIWZSJGSPUMRC-UHFFFAOYSA-N 440.547 4.824 30 10 IJEE C=CCn1c(NC(=O)/C=C\c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc21 33318024 NNMPGXWFUDPEIW-PFONDFGASA-N 426.476 4.599 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1cccc(OCCC(C)C)c1 35443222 TWDNJSWZTDSQSJ-PTGWMXDISA-N 449.547 4.736 30 10 IJEE C=CCOC(=O)C1=C(C)N(Cc2cccc(F)c2F)C(=O)C[C@H]1c1ccc(F)cc1F 37576243 VFYCWUNDBFBYMD-KRWDZBQOSA-N 433.401 4.762 30 10 IJEE COc1ccc(/C=C2/Oc3c4c(cc(C)c3C2=O)OCN(c2ccc(OC)cc2)C4)cc1 37857575 MXFIFQOYNNKCSI-YDZHTSKRSA-N 429.472 4.985 30 10 IJEE Cc1c(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c(O)n(Cc2ccccc2)c(=O)c1C#N 38619799 JSAXPSOKXXUZBJ-SFHVURJKSA-N 430.504 4.556 30 10 IJEE Cc1c(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N 38623940 MDQFVOGAUHCNMW-KRWDZBQOSA-N 448.494 4.695 30 10 IJEE C=CCNC(=O)c1cc2ccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2oc1=O 40893374 ORWDBWGTWGLIJK-VMPITWQZSA-N 444.270 4.634 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F 62896835 HTTKVYSYWQSOEW-UHFFFAOYSA-N 444.413 4.936 30 10 IJEE C=CCOc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 64656661 RZOYAHIXVBQLLG-GOSISDBHSA-N 425.531 4.620 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N/N=C\c2cccs2)N1Cc1ccco1 101916921 BONCIBYGNYEWES-SNKPKTNMSA-N 438.490 4.756 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccc(Cl)cc1 102539902 DNFNOPFKYSIWDO-LCPUNJGISA-N 434.835 4.875 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 169959571 KXSBYLLNSANRKC-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2)cc1 170028861 VJFJXRRIAUQLGE-JOCHJYFZSA-N 444.443 4.776 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 170059855 QRZAQQWAHDIZTA-OAQYLSRUSA-N 439.895 4.980 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2c[nH]c3ccccc23)cc1C 170073196 UOWSMQYZGVUKOP-QHCPKHFHSA-N 432.520 4.788 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1c[nH]c2ccccc12 170078060 FNKYAIIPAIOPPV-RUZDIDTESA-N 437.499 4.660 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@H]2c2ccccc2C)cc1 170088466 DIKMOWODVXZUAB-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)cc1C 170168154 DWYIHBUOBHHSNG-OAQYLSRUSA-N 434.517 4.629 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3ccccn3)ccc2O1 170174074 KUEYWFXPGLGIIT-JLCFBVMHSA-N 446.890 4.841 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1C1CCCCC1 170275313 RWYLQVNLPTWZQQ-HSZRJFAPSA-N 433.504 4.677 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2ccccc2O)o1 170301110 HHGRTGQACOETOP-QFIPXVFZSA-N 433.460 4.864 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)c1 170303726 BMFNYZZVYJRELK-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2ccc3c(c2)OCO3)cc1 170473510 AYLZZYVPVUKHTQ-OAQYLSRUSA-N 437.492 4.718 30 10 IJEE CCCCNc1nc(C)c(C#CC(C)(C)c2ccc(Cl)cn2)c(NC(=O)C(C)C)n1 248058022 UXJVOGMFRBJIBC-UHFFFAOYSA-N 427.980 4.969 30 10 IJEE C=C(COCCC)[C@@H](NCC)c1cc(Br)ccc1I 387485900 XINPFUDUSOEAIB-OAHLLOKOSA-N 438.147 4.687 30 10 IJEE Cc1ccc(-n2ncc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)c2C(C)C)cc1 438626081 GUUNCBZLQDNJER-UHFFFAOYSA-N 443.551 4.691 30 10 IJEE COc1ccc(C)cc1C1(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCOCC1 438654301 UTJFEJNBMQLABK-UHFFFAOYSA-N 447.457 4.764 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@](F)(c3ccccc3C)C2)nnc1-c1ccco1 501172570 HXIJXLLEWJCVRB-HSZRJFAPSA-N 440.544 4.612 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](CSc2ccccc2)C1 508463348 GMVURTVFWNRJTN-SFHVURJKSA-N 436.581 4.767 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 515177583 JRGKYSIABWHNQB-OAQYLSRUSA-N 428.552 4.523 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(Br)s1 516216584 JCYJJFTXHOASKD-OAHLLOKOSA-N 430.375 4.615 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1ccc(OC)c(OC)c1Cl 526803460 ZWTPCIDLGMDPIE-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 537997999 MAXVHXROGIBXGT-HXUWFJFHSA-N 426.516 4.831 30 10 IJEE COCc1cccc(OCC2(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)CCC2)c1 540549616 OXAFPGKREDFHDC-UHFFFAOYSA-N 447.579 4.604 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](c2cccs2)C1 549692939 YBIOSALVBMBRRS-HXUWFJFHSA-N 432.553 4.551 30 10 IJEE COc1cccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(C)c(C)cc2OC)c1 586217268 DSSCZKNZXXCERO-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 604487865 NEUGDTQFCKCEGD-AWEZNQCLSA-N 429.427 4.798 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1 710829356 JNBCFFUWXJXWHJ-UHFFFAOYSA-N 431.533 4.730 30 10 IJEE CC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nnc2n1CCCCC2 749573123 GUMCDWWDJRMRAJ-LJQANCHMSA-N 434.569 4.555 30 10 IJEE O=S(=O)(Nc1ccccc1)c1ccc(NN=C(C[C@H]2CCOC2)c2ccccc2)cc1 753921388 GXZAXUAKQNUDKN-LJQANCHMSA-N 435.549 4.730 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(C)n(-c2ccccc2Cl)n1 776516733 NBXOXDXCYLISHQ-GOSISDBHSA-N 434.927 4.920 30 10 IJEE CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CCN1CCC(C)(C#N)CC1 780335501 ZDTOYTOPJVCOAV-UHFFFAOYSA-N 431.583 4.608 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)n1 789100448 NRQDSOMQCQZCEX-HSZRJFAPSA-N 442.991 4.649 30 10 IJEE CCN(C)C(=O)[C@H](C)Sc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084069963 VLQVGPFGKYDVQY-HNNXBMFYSA-N 432.553 4.516 30 10 IJEE CC/N=C1\S/C(=C/c2cc(OC)c(O[C@H](C)CC)cc2Br)C(=O)N1CC 1084397813 SPCNTZMSMDHTPL-CUCXWVBJSA-N 441.391 4.947 30 10 IJEE COc1ccc(-c2nc(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)nc(O)c2C#N)cc1 1087021112 ZAJBMNWLRGIXDH-AWEZNQCLSA-N 444.516 4.883 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CCCN1C(=O)OC(C)(C)C 1116760117 FUIYHHYPFXVJRL-RUZDIDTESA-N 439.556 4.880 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CCSc3ccccc32)c(C(=O)OCC)c1C 1124757308 PKAOGLZEQSLCJS-HNNXBMFYSA-N 445.562 4.794 30 10 IJEE C=CCc1cc(CNC(=O)CCCc2ccccc2Br)cc(OC)c1OC 1125478684 TZIQTKWONVKMFU-UHFFFAOYSA-N 432.358 4.834 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc(OC)c1OC 1125544532 LPICEAWZEQNASW-UHFFFAOYSA-N 442.515 4.813 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccc(Br)cc1 1130165481 FTACQLJUPCCLDG-CYBMUJFWSA-N 425.248 4.951 30 10 IJEE C#CCN(C(=O)CCc1ccc(OC)c(Br)c1)[C@@H]1CCCc2ccccc21 1134094201 ZTXMBRYEKLCMCN-OAQYLSRUSA-N 426.354 4.930 30 10 IJEE C#Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)c(Cl)c1 1134652944 PUXSAOUJIQXWBC-JXFKEZNVSA-N 434.845 4.888 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C12CCC2 1143911296 FZUGLGHPDPBYDC-YADHBBJMSA-N 446.551 4.868 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2(C)C)c1 1154016939 KZQOZMAXQFQZPN-OAQYLSRUSA-N 429.969 4.545 30 10 IJEE C=CC1(CC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1155159247 NXAZDFWCQYPKQD-UHFFFAOYSA-N 434.527 4.559 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NCc2ccc(OC(F)F)c(Br)c2)n1 1178457761 DSMUNBIYQCFMCB-UHFFFAOYSA-N 437.219 4.859 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(Cc3ccc(C)cc3)C2)cc1OC 1179405719 GQWNEPAMVDCAHE-FQEVSTJZSA-N 445.401 4.695 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)[C@H]1CCc2ccccc2C1 1186574778 CZNLEWBWXXOFPE-DEOSSOPVSA-N 434.536 4.900 30 10 IJEE C#CCN(C(=O)NCc1cc(C)cc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1233524287 ISLBBXOXFAVTJF-FQEVSTJZSA-N 427.342 4.735 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(OCCOC)c3ccccc3n2)C(F)(F)F)cc1 1272443431 LJZUHCNRYPOBMC-NRFANRHFSA-N 429.394 4.702 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1OCCC)c1ccc(Br)cc1 1275474410 NXOWUEJJEHFBDV-LJQANCHMSA-N 438.325 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@@H]1CC 1286278394 CQBSSRAMNOMXNZ-FPOVZHCZSA-N 439.673 4.998 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1286345090 FXVAPAWMMMMOGM-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H]1CCSC1 1286530914 GBUIMAMSZQUYRA-HNNXBMFYSA-N 444.402 4.652 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1286628425 AFSLFQAHEAGQIJ-UHFFFAOYSA-N 433.387 4.823 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)CCC(C)C)CC1 1286663726 HTIOYTMZZTUTNE-VWLOTQADSA-N 426.605 4.755 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286696597 JJBRIFGRCAKYDO-KRWDZBQOSA-N 445.405 4.805 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1286701928 BZVZQKSKVWLIJT-UHFFFAOYSA-N 448.596 4.880 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1c(C)nn(C)c1C)C1CC1 1286732847 ZTJCIMXMXZXCMN-HXUWFJFHSA-N 434.588 4.588 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC#N)CC1 1286835400 XCZSHHJOUHDIAF-UHFFFAOYSA-N 425.602 4.523 30 10 IJEE CC(C)NC(=O)Nc1ccc(Cn2c(C3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1288255218 FKZMLFLENJKLAL-RUZDIDTESA-N 449.603 4.644 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl 1295754248 ATVIDNVXDGIDIG-COXVUDFISA-N 431.360 4.568 30 10 IJEE C=CC1(CC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CN(C(=O)OC(C)(C)C)C1 1297742708 ZCNOMNNOKOJVKH-UHFFFAOYSA-N 447.988 4.893 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nc(C)c(C)s1 1300606646 QDCUTNORVKHJHA-UHFFFAOYSA-N 425.627 4.857 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)[C@H]2C[C@@H](OCC)C23CCCC3)nnc1C(C)(C)C 1300896466 FQQGXFZGYHNLRT-UWHLTILDSA-N 430.637 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1oc2ccc(F)cc2c1C 1300921560 RTDYJBLAROFIPX-UHFFFAOYSA-N 436.535 4.784 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccnc(C(F)(F)F)c2)CC1 1301086987 RAFICGARSXAFLH-UHFFFAOYSA-N 449.427 4.766 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)CCC(C)C)CC1 1301134381 JICWEXHSWVMNMQ-XMMPIXPASA-N 430.568 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301138677 CCONHRHHZIZYSB-KSSFIOAISA-N 448.409 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301139808 WPWXCGCADQCWIE-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C1 1301150383 QZVBGXGPVDUEKF-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301208537 YMSUFOJDTLXTBN-ICSRJNTNSA-N 445.405 4.988 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1301208904 HYFVBXUUNZJJPU-JOCHJYFZSA-N 437.632 4.868 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC=C 1301349271 MQPQPEDTBZCUFO-NRFANRHFSA-N 437.588 4.771 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1cc(F)cc(OC)c1 1301413637 YURDZBSLCNMYIR-UHFFFAOYSA-N 426.536 4.891 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCc2c(ccnc2O)C1 1301432764 BWRSCBHOAFWQOW-MRXNPFEDSA-N 439.947 4.538 30 10 IJEE C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1303667849 JUPAPAJRPYSIDR-SFHVURJKSA-N 444.583 4.595 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(Br)cc(Br)c2O)c(Cl)c1 1304270962 LGABROIFXASGAO-UHFFFAOYSA-N 429.495 4.804 30 10 IJEE C#CCOCCSc1nc2ccc(Br)cc2c(=O)n1CCC1=CCCCC1 1307258859 ISMQNYGRGYUPHK-UHFFFAOYSA-N 447.398 4.791 30 10 IJEE C#Cc1ccc(NCc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c(Cl)c1 1308538495 SXSWPQSGXWCDGU-UHFFFAOYSA-N 426.944 4.723 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cc1OC 1308863155 KMNRYMKCLYOBOS-DEOSSOPVSA-N 427.928 4.913 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)NCCc2ccc(Cl)c(Cl)c2)ccc1OC 1311962359 DUEFVWBFSCSPOR-INIZCTEOSA-N 436.339 4.725 30 10 IJEE C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccccc1OCc1ccccc1 1312428039 HBWIZTJOYZEAPX-IBGZPJMESA-N 427.504 4.671 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 1351081525 ZORMTGRWXZZJPZ-INIZCTEOSA-N 426.509 4.881 30 10 IJEE C#CCSCC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1354312535 NFBCGHYRRHGGDQ-SFHVURJKSA-N 439.433 4.637 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)s1 1355118181 GTPBFKWMFCWUAK-UHFFFAOYSA-N 438.018 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CC(F)(F)CO1 1358879777 YJZGXVWXXMXFHN-YOEHRIQHSA-N 446.498 4.695 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1358909560 JUBRWWHKZDCANN-JOCHJYFZSA-N 434.632 4.625 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1cccs1)N1CCCC1 1358940706 IDZMIUCGVPFJQP-LJQANCHMSA-N 425.989 4.567 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@](C)(O)C1CCCCC1 1359002261 TUUXWRRGJPQPIM-SANMLTNESA-N 431.584 4.593 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H](C)c1nccs1 1359050033 DLTHLOYESUFEFS-HNNXBMFYSA-N 432.018 4.661 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H]1OC 1359065497 RYAZXXHFMWDSHF-LQBOVUBWSA-N 443.389 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)N(C)C1CC1 1359108912 HZMFMVHZZSOAAF-CQSZACIVSA-N 438.439 4.654 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C(C)C)N1CCCC1 1359114545 OAYRQDGFAZFKLZ-JOCHJYFZSA-N 431.575 4.670 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1359176544 DVKXRYBBIKXPRR-UHFFFAOYSA-N 430.556 4.529 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](C)[C@H](C)C1 1359293210 KGKXOZSKWCYIQV-HUUCEWRRSA-N 444.004 4.598 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[C@@H]2OC)C1 1359316097 IANDWVPEERCKRW-MZYLBHOOSA-N 438.616 4.839 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CCN1CCC[C@@H]1C 1359926862 FBHCPSZGQDKJLF-IBGZPJMESA-N 429.012 4.849 30 10 IJEE N#Cc1ccc(N2CCC(C(=O)OCc3cc(Cl)ccc3OC(F)F)CC2)c(F)c1 1360655021 BLUQSMKHBVBQMU-UHFFFAOYSA-N 438.833 4.912 30 10 IJEE CCOC(=O)c1ccc2c(c1)N(C(=O)c1ccc(Sc3ccccc3C#N)cc1)CCO2 1435897627 GZCGXKJIRZUTFK-UHFFFAOYSA-N 444.512 4.925 30 10 IJEE Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2ccsc2C#N)CC1 1437634371 ALBABCTUSOVBRY-UHFFFAOYSA-N 447.347 4.852 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccnc1)Cc1ccccc1C 1442020566 COWPACOQIJJAHA-OAQYLSRUSA-N 443.975 4.955 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)cc1OC 1458968853 RGLHDLCGNRPZRU-WUXMJOGZSA-N 435.442 4.829 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)c3ccccc3[S@](=O)C(F)(F)F)cc2)ccn1 1460638754 HULVESKDZQHHHE-PMERELPUSA-N 431.395 4.625 30 10 IJEE C=CCc1cc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cc(OC)c1OC 1460916301 RCFMNIQSNCLSGI-SFHVURJKSA-N 442.365 4.513 30 10 IJEE O=C(CCC(=O)c1c(F)cccc1F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1466511403 BWLBXSJNKHKQSY-QGZVFWFLSA-N 437.311 4.949 30 10 IJEE CCCc1c(NC(=O)C2(Cc3ccccc3)CCOCC2)cnn1-c1cccc(C#N)c1 1467252270 GPLLYRFCNUXIBE-UHFFFAOYSA-N 428.536 4.674 30 10 IJEE C#CCN1CCC[C@H]1C(=O)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1467480562 ZQLGLAPVUDUZFI-GOTSBHOMSA-N 444.497 4.772 30 10 IJEE CC(C)(CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccc(F)cc1Cl 1468807530 GGUSSLHDZDMWOE-UHFFFAOYSA-N 444.938 4.713 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1Cc1ccc(OC)cc1 1469872447 UHBZSKYZDSJBJH-AZUAARDMSA-N 436.980 4.655 30 10 IJEE C=CC[C@@H]1CCN1C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1472260845 BJNHTMRLOQAYIC-MRXNPFEDSA-N 425.337 4.585 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1478472262 OMMXZUVPVJVNKQ-FQEVSTJZSA-N 437.531 4.918 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1scnc1C 1507525395 ARMIKDMCTXCTBB-QGZVFWFLSA-N 447.564 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1507799467 ZALQFLNTQVABGI-UWJYYQICSA-N 443.954 4.849 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1507827836 HEFSRGQFVPZCDL-VQTJNVASSA-N 439.604 4.959 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@](C)(OC)C1 1507941442 HANPGCGBIMUHFL-OAQYLSRUSA-N 449.393 4.688 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccn(C)n1 1508006738 VJCLFWXYYMPFJZ-JOCHJYFZSA-N 432.597 4.856 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1C[C@H]2[C@@H](C1)C2(C)C)C(C)C 1508010986 JLNDNJHYJXWHBE-FUPPJEDESA-N 437.607 4.875 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCSC(CC)(CC)C1 1508061629 UQRKQKNAOZUYLT-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)CCCN1C(=O)OC(C)(C)C 1527381920 XACYAAZLKLJIFD-FNZWTVRRSA-N 439.600 4.793 30 10 IJEE CC[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(Br)cc1 1528574739 CBBPSWGCEOBVRC-OAHLLOKOSA-N 427.277 4.778 30 10 IJEE N#Cc1ccc(CSCC(=O)Nc2cnc(-c3cccc(C(F)(F)F)c3)cn2)cc1 1528955192 GZFZLFZBIFVFDI-UHFFFAOYSA-N 428.439 4.906 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(I)ccc1N1CCCCC1 1529652099 SCYDBPJVHXBOKF-CALCHBBNSA-N 436.337 4.605 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@]2(C)CC2(C)C)c1 1533637712 HUZAPIFRKPYODH-JOCHJYFZSA-N 432.973 4.640 30 10 IJEE C/C(=C/C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccc(C(F)(F)F)cc1 1534193147 HMPMHJFTCMWLPO-QINSGFPZSA-N 429.442 4.882 30 10 IJEE CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1534509457 GIPVVJOLNIXMNY-SFHVURJKSA-N 446.473 4.502 30 10 IJEE C#C[C@H](NC(=O)c1c(C)c2cc(Br)ccc2oc1=O)c1ccc(Cl)cc1 1535468455 QIRQCGHIWMKYEH-INIZCTEOSA-N 430.685 4.622 30 10 IJEE C=CCn1cc2ccc(NC(=O)Cc3ccc(Br)c(Br)c3)cc2n1 1536230086 RSTFSRAWZBPHMN-UHFFFAOYSA-N 449.146 4.929 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CC1CCC(C(=O)OCC)CC1 1536694014 DKVGZEJKTHFNNC-UHFFFAOYSA-N 440.353 4.862 30 10 IJEE CCc1c(C)sc(NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)c1C#N 1536889120 DODCKMREVUKBIH-UHFFFAOYSA-N 434.558 4.745 30 10 IJEE C=CCN(C(=O)c1cccc(Oc2nccs2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618715 OKISMPIMZHIYJK-NRFANRHFSA-N 436.533 4.738 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C1CCCCC1)N(C)C 1538970270 BPCQDGCRLCYOBV-YCRNBWNJSA-N 441.595 4.526 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cc(F)cc(F)c1 1539084607 AEHHGPGWYCVSKO-NHCUHLMSSA-N 430.543 4.915 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cscc1C(F)(F)F 1539268378 NZTAAKABVOMYHQ-UHFFFAOYSA-N 448.901 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1CC(F)(F)C1 1539538706 LYDKMXFJLXJMNL-GAJHUEQPSA-N 444.526 4.854 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(OC)cc1)C1CC1 1539599365 DQKSHQDVIFELJD-UHFFFAOYSA-N 433.394 4.953 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1539616961 SVWJZCCWDFBMHB-JFTIXFDTSA-N 438.616 4.913 30 10 IJEE C=CCCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539989072 OPEDMOAKHKOAQM-APWZRJJASA-N 426.561 4.986 30 10 IJEE C=CCc1cc(C(=O)N2CCc3ccc(F)c(Br)c3C2)cc(OC)c1OC 1540009164 VBNYPIWHBDILEK-UHFFFAOYSA-N 434.305 4.532 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H](C)c1nccs1 1540119975 NVOCTXFYSUFZBV-GOSISDBHSA-N 448.596 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1ccccc1F 1540147752 VMOWTYBZPUECLD-LJQANCHMSA-N 426.561 4.808 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCS[C@@H](C)C1)C(C)C 1540148088 RCFLZGZEVFQBCN-SIKLNZKXSA-N 443.636 4.725 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1c(C)cc(C)cc1C 1540187321 OBHUHOPBDAHDEO-JOCHJYFZSA-N 434.584 4.974 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1ccc(F)cc1 1540187850 WMAUFBMVIKIQGG-UHFFFAOYSA-N 437.544 4.649 30 10 IJEE C#CCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Cl)c1 1540288097 YORCVKQVVCMCPJ-DEOSSOPVSA-N 444.918 4.669 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCC(=O)Nc2cccc(Cl)c2C)C1 1540883205 VYRHOSQASNAAJM-FUHWJXTLSA-N 445.995 4.564 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1OC 1543514029 ZVQRMTOFEMKWBU-SOFGYWHQSA-N 447.285 4.891 30 10 IJEE C#Cc1ccc(C(=O)OCc2cc(Br)c(Cl)c(Br)c2)nc1 1543836278 IUYILJKUXVLKCG-UHFFFAOYSA-N 429.495 4.598 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1(C)C 1544330984 BDZQAFPIEXYVIN-WIYYLYMNSA-N 432.572 4.585 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1nc(C(F)(F)F)cs1 1546226714 TXJQEQZYICFDAP-UHFFFAOYSA-N 437.256 4.821 30 10 IJEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCc1nc(C(C)(C)C)cs1 1555037500 AFKIHCKFTWVTRL-MRXNPFEDSA-N 438.601 4.546 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)OC 1558381400 ISLRXHRSKOYRRM-WOJBJXKFSA-N 446.341 4.583 30 10 IJEE N#Cc1sc(NC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)nc1Cl 1562924380 CJHHZNRQSCKSBD-NSHDSACASA-N 429.702 4.939 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1CNC(=O)OC(C)(C)C 1563861254 XOHGSXLSTCXVRQ-UHFFFAOYSA-N 439.556 4.618 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 1584373208 DDUFHFRTAFUKMV-KRWDZBQOSA-N 440.009 4.523 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1F 1584727190 FECZFPXCKBRGKE-HXUWFJFHSA-N 428.891 4.834 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 1585624636 HDDNDFNJHYWCGT-OAHLLOKOSA-N 439.478 4.784 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(OCCN(CC)CC)c2)CCCN1C(=O)OC(C)(C)C 1586372503 HQOPDFBHJAXZSO-RUZDIDTESA-N 445.604 4.692 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1 1586882656 UVQYWGKQXADJQU-UHFFFAOYSA-N 438.940 4.884 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@H]1C(C)C 1588446111 YPDSQGJXZLTSSL-BWKNWUBXSA-N 438.616 4.810 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)F)C1 1589026611 HXUBTZUZBCFKGC-ZDUSSCGKSA-N 428.911 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCC(C)(C)COC 1589224362 YWDWURMMSQTUEI-XMMPIXPASA-N 429.008 4.967 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1595037677 JQIGIBFNPBGJQQ-UZUQRXQVSA-N 429.012 4.659 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1595866361 HZFXLFANGSEDDQ-INIZCTEOSA-N 428.631 4.784 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1 1595884956 XOLHKARRAXCNTL-UHFFFAOYSA-N 427.662 4.729 30 10 IJEE CC(C)SCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@](C)(C#N)C1 1611125418 AKUMXBBPIXDXBL-HSZRJFAPSA-N 435.601 4.607 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1 1616817909 LNXLUZCKGSTWRA-SFNQZPIRSA-N 425.579 4.752 30 10 IJEE C#C[C@H](NC(=O)Nc1c(F)cc(Br)cc1F)c1ccc(Br)cc1 1623153821 VYAVUMFWMOBWBT-AWEZNQCLSA-N 444.073 4.986 30 10 IJEE CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1626676858 IBGGCWTWMAUMDF-VQTJNVASSA-N 432.351 4.560 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2c(c1)N[C@@H](C)CC(=O)N2 1632118715 UMTMMFNLECBAON-ZDUSSCGKSA-N 446.320 4.559 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)C(C)C 1633545207 XQJMAAHPQOBCMK-RPWUZVMVSA-N 431.536 4.524 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC(CC3CC3)C2)c1 1633835540 GUXIRRKYZLFUEA-UHFFFAOYSA-N 444.984 4.593 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccco1)c1ccccc1OC 1638272877 GUFCXHMZQTYSGQ-RXVVDRJESA-N 428.529 4.743 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 1645391560 RMCWFYLGNBWOKS-LEWJYISDSA-N 430.589 4.832 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2(C)C)c1 1648050399 STRCIJHIWCRWBG-HXUWFJFHSA-N 443.469 4.603 30 10 IJEE C#CCOCCN(C)C(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1648264791 RYPXNNDJVFNEBD-JAXLGGSGSA-N 445.625 4.505 30 10 IJEE Oc1ncc(CN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc12 1648496093 CDYVCWQHUUBOIT-BETUJISGSA-N 426.307 4.543 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)c1C 1653791097 BYFGIXQSDMKLBD-GOSISDBHSA-N 442.966 4.553 30 10 IJEE C#C[C@H](N[C@@H](C)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1F 1658081234 HITRZUFNNQXLGC-AOMKIAJQSA-N 426.919 4.988 30 10 IJEE CCOC(=O)C[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1658381747 FWFZHNCZVXTQRD-IRXDYDNUSA-N 445.629 4.517 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1659646935 FPXHXWBLRCUIHI-OAQYLSRUSA-N 449.039 4.853 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(Cc2nc3c(s2)CCC3)CC1 1660468730 DRVJTBDKTKMRQL-KRWDZBQOSA-N 429.655 4.551 30 10 IJEE C=CC(C)(C)CCCNS(=O)(=O)c1scc(Br)c1Br 1665326337 CEUKPSVRNBAEMI-UHFFFAOYSA-N 431.215 4.544 30 10 IJEE N#Cc1cc(S(=O)(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)ccc1C(F)(F)F 1667629739 HIADMTOCMRYNTN-HXUWFJFHSA-N 444.478 4.882 30 10 IJEE N#Cc1cc(NC(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)ccn1 1672163910 APLHUMMWHDJWKO-IBGZPJMESA-N 425.261 4.766 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc(Br)cc1Cl)C(C)C 1675964446 PWPCNZRQFBFIDP-SFHVURJKSA-N 428.802 4.600 30 10 IJEE C#CCOc1ccccc1NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 1676480123 RGTGMUXNAUCQQH-UHFFFAOYSA-N 433.733 4.968 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)CC1 1676610901 HYJPXKSRNMCQTQ-UHFFFAOYSA-N 447.926 4.540 30 10 IJEE CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1678506325 FOMWVSBCUGSUBX-JOCHJYFZSA-N 438.547 4.715 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(F)cc1 1681648511 KUNZQEIYLHYMON-GGAORHGYSA-N 430.458 4.730 30 10 IJEE C#CCN(C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1683532805 HSHXPBVKDQYSAJ-HSZRJFAPSA-N 439.600 4.746 30 10 IJEE C#CCN(C(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1687355885 POIYDQRSNKTECQ-CVDCTZTESA-N 439.600 4.744 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1689933956 DXCVEMMZCIFIBJ-FQEVSTJZSA-N 426.973 4.575 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1cccc(Cl)c1 1690247874 HLNRCUKHHQLPNT-PGRDOPGGSA-N 432.996 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cnccc1OC 1690258635 NSUNYONJGHFOTR-KRWDZBQOSA-N 437.613 4.986 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1690294597 PVFPLEVNKNLDBH-UHFFFAOYSA-N 437.632 4.834 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCSC2)C1 1690300776 KITAWSBXHXKYAP-ZJSXRUAMSA-N 426.630 4.746 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](C)C1 1690306062 NVJHUUHDDGWLGK-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CC=CCC1 1690358466 BCJYJYBZECMIHA-MSOLQXFVSA-N 436.000 4.895 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1690365603 ANZSCPLTKIKQGG-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCCO2)CC1 1690414602 CUEIOMBANAYWHU-OAQYLSRUSA-N 445.007 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H]1CSC 1690428553 UJFGCDZSHUVFLK-INIZCTEOSA-N 438.601 4.528 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(OCc2ccccc2F)CC1 1690458712 HTIXYZPHIYOJJD-UHFFFAOYSA-N 437.563 4.965 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CC1(COC)CCC1 1690569336 FOFOTYVUPGDIIN-NRFANRHFSA-N 428.552 4.668 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1Cc1coc(-c2cccs2)n1 1692662072 GNNRQPISNUHQHY-HNNXBMFYSA-N 436.516 4.511 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CC1 1693696875 GUTZUABGNDLDQI-YZUZCNPQSA-N 434.632 4.952 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCc1ccnc(C(C)(C)C)n1 1705479558 JVFJNJWPMPNFLA-KRWDZBQOSA-N 436.991 4.777 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC[C@@H](SCC)C1 1705511429 UJDUACHDJUEFIX-JOCHJYFZSA-N 442.629 4.878 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H]1CCO[C@@H](C)C1 1705577423 ZOGZZGJERMVSHP-IRXDYDNUSA-N 431.367 4.530 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)c1cccs1 1705601928 ZJJYXHKSHOQXHK-UHFFFAOYSA-N 446.620 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1Cc1cccnc1OCCCC 1705609086 PPHGNGPWLSZPRY-UHFFFAOYSA-N 440.551 4.575 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1705695013 GYWYOBRJJYKPMS-KSPVPNAGSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1705715627 LCYKMKBOGCSQMG-UHFFFAOYSA-N 429.653 4.762 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(C)C)C1 1705734518 RPDBLQUBFVUNJP-NRFANRHFSA-N 434.588 4.596 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705758799 DQRQSAHUFHXBGM-PKOBYXMFSA-N 432.996 4.911 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1705782053 NITHOYKZZJYRDU-OALUTQOASA-N 438.469 4.806 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCO[C@@H]1C(=C)C 1705835645 PYSMOMAFSVRXPM-VQTJNVASSA-N 435.597 4.980 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CCC 1705856667 AQXZIQQBBVECFT-UHFFFAOYSA-N 430.350 4.647 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1Cc1c(C)coc1C 1705856708 BZUPDFZDZQGWEQ-UHFFFAOYSA-N 443.551 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC=CCC1 1705860752 OGCIOUDZEJFLHP-JOCHJYFZSA-N 441.583 4.560 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C)C(C)(C)C1 1705913315 KPQAKVSGHBMWKP-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1705942581 XJVWBDCYKGQEMJ-HXOBKFHXSA-N 428.602 4.650 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCCc2sccc2C1 1705944291 AHDFDGLUPWDXFF-UHFFFAOYSA-N 426.611 4.887 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[C@@H]2C)cc1 1710533390 APZIUWUZGKQJOF-WCIQWLHISA-N 425.577 4.849 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)c1ncc(C)s1 1722397255 QKKLJOJILJFNFK-KRWDZBQOSA-N 438.000 4.554 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCCCN1CC 1722420698 FCCMJTYQNJIBQP-XMMPIXPASA-N 437.607 4.664 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN1C1CC1 1722420817 JHGDDFPJFAGGBJ-QHCPKHFHSA-N 437.607 4.663 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)c1cccs1 1722424234 GXVJPNMANCSZKU-UHFFFAOYSA-N 428.989 4.724 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)[C@@H](C)C1 1722466067 YRQGJMRUUOYRAV-BGYRXZFFSA-N 426.630 4.748 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2(CC)CCOCC2)CC1 1722581449 DMAQXEQYJPEHPH-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722632225 LVKKQYMVRNDEPI-UZUQRXQVSA-N 433.547 4.679 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccco1)N(C)C 1722658895 LNWOVNXLCSPYAZ-NRFANRHFSA-N 434.519 4.501 30 10 IJEE C=CCn1c(C(C)C)nnc1N1C[C@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1722682952 UUJAEFHRENRIDD-ASSNKEHSSA-N 433.915 4.684 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1722742955 LSWASFGXCVVOSQ-UHFFFAOYSA-N 439.412 4.984 30 10 IJEE COC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1 1729804215 FIVGUKYTMUMZPK-MRXNPFEDSA-N 427.618 4.686 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCSC1 1740538003 BWEDVFFLSNMCEG-QWHCGFSZSA-N 439.810 4.572 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740568862 SMLFFLUCFKOLDY-UYAOXDASSA-N 426.630 4.940 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCC(C)(C)C1 1740710186 WKCDQZVVLBKJAQ-IBGZPJMESA-N 442.629 4.810 30 10 IJEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1cccs1 1740720020 OUQIUZFCNLASIO-FQEVSTJZSA-N 438.622 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCC1CCN(CC)CC1 1740727960 GZECFUACOMARAH-XMMPIXPASA-N 443.998 4.852 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1cccc(F)c1 1740741055 CZAYQUQFWZDJPO-SFHVURJKSA-N 428.309 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccsc1)N(C)C 1740776862 DUMIXAWPHZDFHX-QHAWAJNXSA-N 445.677 4.964 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1740789340 CHZMFKMZMQQHCB-RCZSKKKRSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCSC)CC1 1740837984 BYOSMVSHGTVPEZ-LJQANCHMSA-N 449.665 4.548 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccccc1 1740853783 ADXHUEGJXUTWOS-QPPBQGQZSA-N 449.643 4.989 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1ccncc1Cl 1740935407 LRGZZGRPGMZWGH-UHFFFAOYSA-N 444.970 4.980 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1 1743060475 CERDAVHXCZZKND-YADARESESA-N 441.023 4.993 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1748641503 HYVCUOZHPLATJZ-UGNRZPKXSA-N 428.964 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1Cc1c(C)sc(C)c1Br 1748658126 NSFDPTRNJGTWAY-CYBMUJFWSA-N 429.387 4.892 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCC1(C)C 1748833510 TWZHCKPWZCJWHK-HNNXBMFYSA-N 431.403 4.668 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccccc1OC 1748915441 ZHKLDGJIPWHUOX-UHFFFAOYSA-N 434.609 4.986 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 1749115266 ONUCKUOFWANPFM-GVDBMIGSSA-N 425.415 4.588 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1749277036 XUTNYPLJHKULHK-UHFFFAOYSA-N 439.919 4.624 30 10 IJEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(c2nc(C)no2)CC1 1749407048 TXWFKUZKYKKVEX-UHFFFAOYSA-N 436.560 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCN1CCCC[C@H]1C 1749471451 NXHZGKGDOLRGQW-HXUWFJFHSA-N 433.604 4.612 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CSc2ccccc21 1750791875 BRDJGWCNRNOASS-FQEVSTJZSA-N 432.597 4.996 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cc(C)on1 1760131276 XFGHIHVZEWNGJB-UHFFFAOYSA-N 446.324 4.583 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC(F)C1 1760133189 XCEINKGOVKNXKU-UHFFFAOYSA-N 425.371 4.757 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1760141205 MWABVWLXRVKDOB-KNQAVFIVSA-N 431.411 4.887 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1760317662 IRUOBCKBUFJTFO-FCEUIQTBSA-N 442.629 4.513 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOCC1CC1 1760319084 QSAMQIKCJXCTPB-LAUBAEHRSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)c1ccc(C)cc1 1760330269 WWJBFKPCQRUVJV-PXDATVDWSA-N 426.605 4.833 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(Cc1cccc(F)c1)C(C)C 1760334679 KWQKBMHPJGQCSV-GIWBLDEGSA-N 442.579 4.707 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC2CCOCC2)CC1 1760397881 FWEAZXAYUPNNEJ-UHFFFAOYSA-N 430.980 4.587 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1760428332 UFTRSNHZQOJBSC-GOSISDBHSA-N 429.996 4.873 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCOC(C)(C)C)C1CC1 1760471605 BAHNKNLWYNEKOO-UHFFFAOYSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1Cc1c(CC)noc1C 1760477745 JNDZRUWVZVHMCO-UHFFFAOYSA-N 447.539 4.955 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](c1ccsc1)N(C)C 1760482397 VVBKSRLDAGKCLI-HSZRJFAPSA-N 444.608 4.897 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1760508238 PFPQBHHATKXPQL-MRXNPFEDSA-N 445.386 4.751 30 10 IJEE C=CCn1c(N(C)C/C(C)=C\c2ccccc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513412 XBRHINJMJZACSH-QEHKXMIWSA-N 437.588 4.775 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(SC)CCC2)C1 1760536427 BNEVMEURHWLKBV-QGZVFWFLSA-N 449.020 4.674 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]2CCC[C@@H]21 1760560311 RZONURHDUYJEBB-PBHICJAKSA-N 436.423 4.724 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2sc(C)nc2C)s1 1761772003 BTFNVPVSNYTVQG-UHFFFAOYSA-N 434.594 4.945 30 10 IJEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1CCN(CCC(C)C)CC1 1762538433 CUHHTXNNDGDPOA-UHFFFAOYSA-N 432.616 4.510 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nccs1 1765070657 BYOCWEKWWCVGRR-ZIFCJYIRSA-N 436.585 4.614 30 10 IJEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCS1 1771109950 CLANINYHHLTTOP-HNNXBMFYSA-N 440.400 4.514 30 10 IJEE CCCN1C(=O)/C(=C/c2ccccc2O[C@H](CC)C(=O)O)SC1=Nc1nc(C)cs1 1772761454 PHLWRLSLESKOIB-LUJOMLRRSA-N 445.566 4.708 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C 1862430010 ZXQXSMGCWJMJSQ-JOCHJYFZSA-N 440.971 4.959 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862438291 KSWBIVWFDLSNBZ-OAQYLSRUSA-N 441.911 4.877 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862449522 MZZZQWMXDKHKQK-VLIAUNLRSA-N 427.928 4.597 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@@H]2c2ccc(O)cc2)c1 1862490166 PAHQCGAKBXCXJD-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862512256 RCZOKTRHRXBEGM-GOSISDBHSA-N 432.835 4.684 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)cc2)cc1F 1862638467 BNJDNIUPAUOJSA-QFIPXVFZSA-N 439.483 4.841 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862677783 GGXGLBBYHZVURR-OAQYLSRUSA-N 436.508 4.732 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCO)cc1 1862716863 PXPGFLOPZKMELD-XMMPIXPASA-N 445.515 4.589 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O 1863180174 XTVXBKQKPDUSNF-UHFFFAOYSA-N 445.881 4.785 30 10 IJEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCn2ccnc2)C1=O 1863532725 WFQXJMGKAXGFBE-UHFFFAOYSA-N 442.991 4.657 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(C)C 1869015128 ZEHHPTCCXJSNRT-LEWJYISDSA-N 449.433 4.920 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)c1 1871425175 GPVOOANOXCCUSQ-VUZLNAKASA-N 449.459 4.627 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)c1 1871441945 RMWCBCPCAPMYBR-JJFYIABZSA-N 435.863 4.982 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2C[C@@H](C)O[C@H](C)C2)n1 1871476416 OAFGEMPWQBLNEL-WOJBJXKFSA-N 426.609 4.732 30 10 IJEE C=CCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N2CCc3ccccc3C2)n1 1871659426 MTUDXSBYZFIHMV-UHFFFAOYSA-N 448.574 4.789 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871996380 YOEZBTCXJORIFT-HSZRJFAPSA-N 428.598 4.904 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(OC)c1OC 1872766896 LKJYYUOSXWWFIX-CQSZACIVSA-N 430.432 4.604 30 10 IJEE CC(=O)Nc1ccc(-c2nc(C3=C(N)N(c4ccc(C(C)C)cc4)CC3=O)sc2C)cc1 1873529716 IZBNTWNUTKZMCJ-UHFFFAOYSA-N 446.576 4.917 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(F)c2)o1 1874438656 LTXGMZZEYYEGMW-FSJBWODESA-N 430.505 4.560 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2)c1C 1874458612 XIWJTCQFEJLHME-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCCCOc1ccc(/C=N/n2c(CCCC)nnc2SCCCO)cc1OCC 1874479472 BQGBNJSVKIKDSH-HAVVHWLPSA-N 434.606 4.555 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2/N=C/c2ccc(Cl)cc2)cc1 1874524047 UVDQHNRQKZRRTP-YDZHTSKRSA-N 427.961 4.669 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2ccc(C)cc2)cc(Br)cc1OC 1874579287 GPQDVNBLIZZWFG-MDZDMXLPSA-N 447.325 4.994 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)NC1CCCCC1 1874609168 BMBVAHGRCBCZOV-OQLLNIDSSA-N 437.536 4.818 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2ccc(C)cc2)cc1OC(=O)[C@@H]1CCCO1 1874702832 LWZYZXRJBHLCCN-YXBWYFRISA-N 445.309 4.747 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)Cc3ccccc3)c2)c(OC)c1 1874714220 KHXBGQJKKSREPI-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc(OC)c(F)c3)cc2)c1 1875152167 HGMJAGCJPRLGLM-UXBLZVDNSA-N 436.435 4.967 30 10 IJEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1912177223 CTIHNUCEFVCXPC-KKSFZXQISA-N 436.557 4.853 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@H](N(C)C(=O)OC(C)(C)C)C(F)(F)F)NCC 1922115958 MBMHHMQIVAQGMZ-MOPGFXCFSA-N 430.511 4.925 30 10 IJEE C#C[C@@H](C)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 1925426548 MAFAOOARIPTVCN-FYYLOGMGSA-N 427.633 4.574 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1949711530 AZCNFNAQJHBWHN-RTBURBONSA-N 426.565 4.974 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1(C)C 2005339032 HSSBDMORAMKNAD-BTYIYWSLSA-N 436.557 4.757 30 10 IJEE CC1(C)OB(CC2CN(Cc3cc(Br)ccc3Br)C2)OC1(C)C 2006502831 HFYKWYOPHVNZCT-UHFFFAOYSA-N 445.004 4.736 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048502638 AVZJXYWFCCFCIC-SJORKVTESA-N 430.770 4.621 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(/C=N/O)c2I)cc1 2079048177 RMPUVLHRSIMBOX-OOMAIKSQSA-N 449.214 4.622 30 10 IJEE CNCc1nn(Cc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1Br 2079236551 ZHYHPBXSROQRJM-UHFFFAOYSA-N 434.153 4.590 30 10 IJEE CC1(C)C[C@@H](NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCN1Cc1ccccc1 2098834663 DEIXFEXCNRXABH-DEOSSOPVSA-N 434.433 4.519 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2110506476 KOFLKXYLNBYPCD-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)NCCN(c1cc(Br)c(C#N)cc1F)C1CCCC1 2130096511 FURGWZLIQMGNLY-UHFFFAOYSA-N 426.330 4.734 30 10 IJEE COC[C@]1(C)CCSC(=Nc2c(Br)cc(Cl)cc2Br)N1 2157921472 HYMFIVKDJHXBED-ZDUSSCGKSA-N 442.604 4.984 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2163692855 ABZCKSFJXLTSDR-JOCHJYFZSA-N 428.349 4.952 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180959567 FTIAGAJNILNBPF-KRWDZBQOSA-N 436.350 4.829 30 10 IJEE CC(C)(C)C[C@@H](CC(=O)Nc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C 2181045894 OPIVMBHKCPEAGL-OAHLLOKOSA-N 438.366 4.979 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H]1CCCN1C(=O)OC(C)(C)C 2235715525 BDDDULXUTNQZQL-RBUKOAKNSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C12CC(CCN1C(=O)OC(C)(C)C)C2 2235718185 CXYYDUKTLOSFBI-COFLGROHSA-N 433.390 4.568 30 10 IJEE C#CC[C@H](C[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237404965 LZHMWNGSDOCJEA-LSTHTHJFSA-N 436.390 4.685 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237428054 HYDKPYJRIANDEV-OALUTQOASA-N 437.422 4.913 30 10 IJEE C#CC[C@H](CN(C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 2243904726 GCJXALSIQTXGQJ-HXUWFJFHSA-N 444.575 4.812 30 10 IJEE CCN[C@H](CC#CC1CCCC1)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251480727 ILPMTVCASHOBCE-RPWUZVMVSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)cc1 2255535422 VFYFLQURXZZUEX-UHFFFAOYSA-N 430.354 4.666 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2258098608 CWKWDBHTTVRDMV-OMOYSXNNSA-N 448.568 4.900 30 10 IJEE Cc1cnc(C(=O)N(Cc2ccccc2)CC2CCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267112320 FBCIJCFZZSIPCF-UHFFFAOYSA-N 434.389 4.522 30 10 IJEE C=CCN(C[C@H](O)c1cc(Br)cc(OC(F)(F)F)c1)C(=O)OC(C)(C)C 2272998162 DIQWDTMHIVBLGE-AWEZNQCLSA-N 440.256 4.804 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296218583 FVYYEKAMRFIMOI-RBUKOAKNSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@H](N)C#Cc2ccc(Br)cc2)CC1 2296272376 KHLQOBYNCJFQRU-HGHGUNKESA-N 439.369 4.551 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@H](N)C#Cc1cccc(Br)c1 2296275269 YOKXNENVPGEVCC-MJGOQNOKSA-N 447.398 4.724 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 2296308570 KCOQHXJSINAVBI-LYBXBRPPSA-N 435.406 4.862 30 10 IJEE COc1cccc(C(=O)C=C(O)C(=O)Nc2ccc(Br)c3ccccc23)c1 2297578239 CFUAEKNEGTYILY-UHFFFAOYSA-N 426.266 4.874 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2305316299 KYPDRVDMSLANIF-PXDATVDWSA-N 428.573 4.698 30 10 IJEE FC1CC(CS)(COCc2cc(I)ccc2Br)C1 2319158149 KYYPKSHPQXNGNZ-UHFFFAOYSA-N 445.135 4.618 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)cc1)c1ccccc1 2320897150 PHBVYTXDHQRUPU-HNNXBMFYSA-N 439.972 4.661 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 2322171069 JGCCAKMYKCHSQP-UHFFFAOYSA-N 441.462 4.713 30 10 IJEE O=c1c(Br)c(NN=Cc2ccccc2Cl)cnn1-c1cccc(Cl)c1 2322648697 XWTDWVFCTWVQGR-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cc(Br)ccc1OCC(N)=O 2322769099 HGNQXPABBVBLGE-UHFFFAOYSA-N 446.341 4.515 30 10 IJEE CN(C)C1CCN(Cc2c(O)ccc3c2OC(=Cc2ccc(C(C)(C)C)cc2)C3=O)CC1 2324158681 QQPLYSLVAAHKIA-UHFFFAOYSA-N 434.580 4.832 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1 2324585048 SFMRCQBEEZZJIR-IBGZPJMESA-N 448.500 4.504 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)o1 2325402263 XRKDFDAVLXOHLN-UHFFFAOYSA-N 434.444 4.969 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2325571645 XOBBAVUGNDXUTC-UHFFFAOYSA-N 445.446 4.970 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2ccccc2OC)cc1OC(=O)C1CC1 2325723514 CXEQMYTVSWTXPE-UHFFFAOYSA-N 431.282 4.678 30 10 IJEE CCSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccc1OC(C)C 2327443184 IMZDOMZRSRJRAL-UHFFFAOYSA-N 432.496 4.917 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(O)c(OC)c1 2328897867 RCCGDJVRDUQJHN-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCC)c(OC)c1 2329918316 PFBOAIKXZGZIQT-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2cccs2)o1 2330576793 IPGVBIUPZABCAJ-UHFFFAOYSA-N 430.536 4.622 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1cccs1 2331319327 HAKGQLVKRQBVST-UHFFFAOYSA-N 427.599 4.912 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(F)cc1 2331432763 WAOSNCNNDKCLLH-UHFFFAOYSA-N 439.560 4.791 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Cl)c2)c(OC)c1OC 2331885614 BQTMFOILAHMSJW-UHFFFAOYSA-N 444.789 4.730 30 10 IJEE N#Cc1cc(CO)ccc1Sc1cc(I)ccc1Br 2338403122 DCLPCIILTOUZHX-UHFFFAOYSA-N 446.107 4.569 30 10 IJEE CN1CCC(N(Cc2ccccc2)c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339545055 PGCXXWZFOFQSBF-DTQAZKPQSA-N 433.405 4.827 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@](C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339588020 BOLCNJPJFJYTDM-MHECFPHRSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339590198 JTYKXNPABJNATI-UUOWRZLLSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1CC(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)(C2CC2)C1 2339597369 QFNPBZHLFYSOQQ-UHFFFAOYSA-N 442.365 4.505 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2358671104 FMKHWYHVXDNXOE-WDSOQIARSA-N 435.406 4.862 30 10 IJEE C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 33271493 WOQITLMQVKERKA-SFHVURJKSA-N 428.517 4.585 30 10 IJEE COc1ccc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 35444970 FFOYBHOIJQCWDR-JFPYEHPBSA-N 439.511 4.916 30 10 IJEE C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C 36308081 UCVAHBPUYLOFQB-HSZRJFAPSA-N 449.595 4.901 30 10 IJEE Cc1ccc(OCCCC(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 40900721 GQYFQKHPAWBGDW-HNNXBMFYSA-N 427.595 4.725 30 10 IJEE Cc1cc(O)c(CN2CCN(c3ccc(F)cc3)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2 41585547 ADHXWCSGVGAPMC-JLPGSUDCSA-N 444.506 4.778 30 10 IJEE COCCc1nc2scc(-c3cc(C)ccc3OC)c2c(=O)n1Cc1cccc(C#N)c1 96528646 AZDVCXOAOOSUFQ-UHFFFAOYSA-N 445.544 4.551 30 10 IJEE O=C(/C=C\c1ccccc1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 96850757 LHYUVRPWMPUVPW-LHPDUPQPSA-N 431.919 4.790 30 10 IJEE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N\O)CC(C)(C)C2 101108651 CFSMCIPVFGOSDZ-BKUYFWCQSA-N 438.265 4.596 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@H]2c2ccc(OC(C)C)cc2)no1 102909967 VBGRUJSMKPQYJT-SADKCHQCSA-N 436.439 4.536 30 10 IJEE CCCCCCCC1=NN2C(=N)/C(=C\c3ccc(OC)c(OC)c3OC)C(=O)N=C2S1 103680434 DOIYWYOBXIIKFZ-KFTBRXMNSA-N 444.557 4.692 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccn2)c1 169990708 CKKSZKDHHDHZTN-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccn2)c1 170170322 IJIWSCGQYRCVIT-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccn2)cc1C 170170724 UIXRKOFLOKHKBG-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)cc1C 170173303 JOYYYLRWVFXSFI-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccnc1 170187118 YFGSVOWALBLZAB-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)ccc1Cl 170231113 JSPYDUPARGSLED-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2F)c(OC)c1 170248469 ZDBOJZJCSQPYDQ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)cc1C 170259305 IFHNDPDVOAHCGX-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(OC)c(OCc2ccccc2)c1 170439033 WCIQLZRZBGLPCM-JOCHJYFZSA-N 437.536 4.995 30 10 IJEE C=C(Cl)CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226844015 KRFMFIYZLACMLT-HXUWFJFHSA-N 431.941 4.854 30 10 IJEE COc1ccc(N=C2C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1 254352975 RUNRQMDUOTZADI-UHFFFAOYSA-N 442.357 4.759 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)OC1(C)C 404914346 MQLZQTDTFPZXJN-UHFFFAOYSA-N 429.325 4.817 30 10 IJEE N#CC1CCC(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 441143887 PXNXGRZQGZWQBB-UHFFFAOYSA-N 433.596 4.579 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 500761125 CERFVEJIGYXUHF-GOSISDBHSA-N 437.544 4.515 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(F)c2)c1 526489842 JSGWPRZKUXKSPC-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cccc(C(F)(F)F)c1 526825970 INYXTDSAALYPDC-ROTLSHHCSA-N 448.470 4.820 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@]2(CCCOC2)C1 559024602 OJPLONBIWATAIY-LJQANCHMSA-N 437.407 4.742 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 586508856 SPDXOUFZPBUDJA-UHFFFAOYSA-N 446.327 4.579 30 10 IJEE CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1-c1cccc(C)c1 598048178 BMHHTJMAZPBFMZ-BISSLNBESA-N 425.602 4.685 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 606840502 UDHDXVWHMZZOAE-INIZCTEOSA-N 434.458 4.535 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(Cn2c(C)nnc2-c2cccc(C#N)c2)cs1 610036037 HJMCKXKNLHHYQL-UHFFFAOYSA-N 428.521 4.623 30 10 IJEE CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc(N2CCOC2=O)c1 745591730 GJIIMXCKRDBGAU-UHFFFAOYSA-N 438.491 4.727 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2\CCc3cc(C#N)cnc3C2=O)cs1 788358364 YLSAZOPGGXBGCJ-CXUHLZMHSA-N 434.908 4.960 30 10 IJEE CN(Cc1ccc2ccccc2c1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807247894 GRJGVVIYGVFVBH-UHFFFAOYSA-N 439.540 4.715 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1)c1ccc(F)cc1 812933100 QZKAOBVQMJJUBW-FQEVSTJZSA-N 449.448 4.956 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc(F)cc1 812938236 KKNSWJCZSYGBQO-JOCHJYFZSA-N 428.529 4.569 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccc(F)cc1 813036510 IDXSJGCBYSDYTG-BXKMTCNYSA-N 447.485 4.881 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cncc(-c2ccc(OC)cc2C)c1 1124607510 OFWOHHDFTWKFKZ-UHFFFAOYSA-N 447.487 4.809 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)c1ccccc1 1125305835 FODIGJPUALXIFI-NFLAHJKKSA-N 439.581 4.578 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21)c1ccccc1 1126543289 BICFDEOFLYAMEH-HSZRJFAPSA-N 438.593 4.500 30 10 IJEE C#CCOc1ccc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)Cc3ccc(F)cc32)cc1 1127331360 ZPBFYRVHCSHMPH-QGZVFWFLSA-N 438.499 4.624 30 10 IJEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(c4ccc(C(C)(C)C)cc4)CC3)CC2)o1 1129060817 CVRXFNJPLZMJPW-UHFFFAOYSA-N 434.584 4.775 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)c1 1132161540 GAGFRZATRHXUNU-NRFANRHFSA-N 449.913 4.938 30 10 IJEE C=CC(C)(C)CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1133177694 STCXQCFTGBZYOQ-INIZCTEOSA-N 439.369 4.549 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccc1 1140440487 UIMBBWVXBWPERC-RRPNLBNLSA-N 431.624 4.545 30 10 IJEE C=CC1(CC(=O)Nc2nnc(-c3ccc(C)cc3C)s2)CN(C(=O)OC(C)(C)C)C1 1142310863 HRYRAMAOLKEPCA-UHFFFAOYSA-N 428.558 4.574 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 1143689459 CFXZXVDOMYOWHK-YADHBBJMSA-N 429.605 4.579 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCCCCC1 1146225360 BUZVNTXLXRDJDX-HSZRJFAPSA-N 443.632 4.928 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C 1169524633 FGBJECZUTJAOPY-DYESRHJHSA-N 432.486 4.911 30 10 IJEE CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)cc1F 1186581968 DIXMVOLYTNYTLG-UHFFFAOYSA-N 440.471 4.743 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cc1OC 1200830094 IMLTYLBBYCUADL-LIRRHRJNSA-N 430.932 4.874 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 1203353066 KTZQDGWGCMPAAA-UHFFFAOYSA-N 435.293 4.985 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 1225772898 PKIFCZXPFYJUDF-DHIUTWEWSA-N 427.976 4.720 30 10 IJEE C=CCC[C@@H](NC(=O)NCCNC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 1230693146 CKNMUXFUAKQTNG-MRXNPFEDSA-N 425.476 4.503 30 10 IJEE C#C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(Cl)cc1 1275439939 CQXBNBUUKFNYNW-NRFANRHFSA-N 429.907 4.759 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCSCc1ccc(C)cc1 1286281624 IPGHNQDIEJVXOD-KRWDZBQOSA-N 425.989 4.693 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1286302229 CDYDAQOKHBTBIO-FUDKSRODSA-N 447.652 4.689 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)N1CCC[C@@H](C)C1 1286440500 AYYZBIRYJNTXFX-IAGOWNOFSA-N 434.415 4.832 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCCc1ccc(OC)cc1 1286557082 SYESOKBOGLMLCU-VWNXMTODSA-N 438.616 4.995 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)NCCCCC)CC1 1286622338 VIYUXVORSUSBIW-UHFFFAOYSA-N 444.023 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1286674809 IZJPFUPXTXIJEH-HXUWFJFHSA-N 444.023 4.787 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286744096 CTPFAKJMPPIKHN-FZOAFFARSA-N 442.579 4.852 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286746375 WPOYDLBZOBOZTD-BKMJKUGQSA-N 438.616 4.788 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(C)C 1286749132 LCLNGYSOXXWORC-UGKGYDQZSA-N 437.613 4.964 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC1CCC(OC)CC1 1286749670 CHCGXWKFVYNWKP-UHFFFAOYSA-N 437.613 4.723 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(CC)Cc1cnn(C)c1 1286770666 HXNSEMCHYGOADT-KRWDZBQOSA-N 428.968 4.634 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2CC2(C)C)C1 1286805088 QGXPYJLXBROYAZ-HOCLYGCPSA-N 449.368 4.674 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 1290201793 PZCVEBKFLJAQIJ-CQSZACIVSA-N 449.267 4.713 30 10 IJEE CCCN(CC)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1294525998 CXLQKPGLHTWYNY-UHFFFAOYSA-N 447.052 4.696 30 10 IJEE CCN(CCn1c(-c2ccccc2C)nnc1N1CCC[C@](C)(C#N)C1)CCC(F)(F)F 1295835477 DOQFYUCCDQCXJQ-JOCHJYFZSA-N 448.537 4.658 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C 1296955874 NDMKTZGRHBDFJC-MRXNPFEDSA-N 439.343 4.809 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccccc1F 1300746392 ROWMQINRLDUCIT-OAHLLOKOSA-N 429.952 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCOCCC=C 1300788873 OXOIVIKFDUFLNW-RUZDIDTESA-N 447.608 4.962 30 10 IJEE C=C(C)Cn1c(N2CCC(NC(=O)CCCCC)CC2)nnc1C1(c2ccccc2)CCC1 1300965798 ZVHLEKQXOQNOCN-UHFFFAOYSA-N 449.643 4.990 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1301027722 WNZWZQSRBBKOKF-INIZCTEOSA-N 434.327 4.827 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC(C)(C)C1 1301176191 RSNPGDBIIIFZBX-UHFFFAOYSA-N 428.577 4.954 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301246911 YRGZYTBQORILAI-FCHUYYIVSA-N 438.616 4.698 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1Cc1ccnc(SCC)c1 1301349541 PFIQKVUCOOPLTM-NRFANRHFSA-N 435.597 4.530 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1C(C)C 1301597749 YWWAFBPLNYFSGS-INIZCTEOSA-N 438.439 4.590 30 10 IJEE C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1307907682 HBZGKWCVPQQIFH-MRXNPFEDSA-N 425.458 4.850 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2c(F)ccc(Br)c2F)cc1 1311257229 MWGYIISYUKOTFL-UHFFFAOYSA-N 425.233 4.679 30 10 IJEE C#CCOc1ccc(NC(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)cc1 1353396118 KHPPCSXHGQCOEY-UHFFFAOYSA-N 434.536 4.904 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 1357294265 UGJBPWLUPDFGTF-UHFFFAOYSA-N 442.544 4.805 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1357694856 XTQPADGNCQNFNA-UHFFFAOYSA-N 446.322 4.591 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)N(CC)CC 1358875927 YZFNNQUIGHJJKP-FPOVZHCZSA-N 432.616 4.541 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)CCC(C)C 1358940427 XELWYDFTXXIMQL-XMMPIXPASA-N 437.613 4.634 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1ccnc(Oc2ccccc2F)c1 1358985290 UXXPPHMRYXFQPM-LJQANCHMSA-N 431.515 4.629 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCSC(C)C 1358985817 HWNOAABULNFRFM-SFHVURJKSA-N 431.005 4.676 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@@H]1C 1359000086 LKJVSSHRPSJORW-PMACEKPBSA-N 444.023 4.632 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC=CO1 1359000111 LZNHGPBEDVFXQO-QUCCMNQESA-N 428.964 4.841 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccc(Br)cc1 1359099865 UJJRIYUPRNKTBT-GHTZIAJQSA-N 447.421 4.857 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1359103684 RFTKKOYRGRWPGA-HYBUGGRVSA-N 442.579 4.776 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359200705 OADTXGFRIZLROG-HXUWFJFHSA-N 425.577 4.795 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 1359308973 DQFBGDZWXPBOQS-UHFFFAOYSA-N 442.350 4.853 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2c(C)coc2C)C1 1359324385 KCZIIXDZXXUXPS-OAQYLSRUSA-N 436.556 4.513 30 10 IJEE CC(C)c1csc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)n1 1359670108 HSONXLQHPYMMKY-UHFFFAOYSA-N 441.004 4.890 30 10 IJEE C=CCOc1ccc(OC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1 1435306595 IOCDHJBMOUEFME-PGMHBOJBSA-N 430.489 4.570 30 10 IJEE CC(C)(C)c1cc(NC(=O)C2CC(OCc3ccccc3)C2)n(-c2ccc(C#N)cc2)n1 1436220842 CMLLNWGJLIZLTF-UHFFFAOYSA-N 428.536 4.975 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(C)cc3)n[nH]2)c1C 1447349489 SPJBGBDNLSLMHO-IBGZPJMESA-N 431.462 4.808 30 10 IJEE COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 1456483536 ALTPDDWGWITFIN-UHFFFAOYSA-N 427.272 4.926 30 10 IJEE C/C(=C/C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1C(F)(F)F 1458090319 DIRSIPPLJWSNOV-QINSGFPZSA-N 429.442 4.882 30 10 IJEE C#C[C@H](NC(=O)c1cc(Cl)c(NC(=O)OC(C)(C)C)cc1OC)c1ccc(F)cc1 1460784334 AIVDSLSQICAAFO-KRWDZBQOSA-N 432.879 4.939 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1461530974 QSJPIYGEWBAHBP-BEFAXECRSA-N 449.473 4.933 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CCCN1C(=O)OC(C)(C)C 1464145229 WZLSGZRISBHCOZ-XXBNENTESA-N 435.634 4.593 30 10 IJEE CC1(C)C[C@@](C)(NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C(=O)O1 1466867460 ABNPPZHYJGJRAB-OAQYLSRUSA-N 429.929 4.969 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3C[C@H](c4ccc(C(F)(F)F)cc4)C3)n[nH]2)c1C 1467571163 FKUSDQZLHIIYOZ-SAABIXHNSA-N 443.473 4.771 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C)C(=O)OCC 1468125815 QMJGSZHWQNWBJK-LJQANCHMSA-N 426.513 4.815 30 10 IJEE C#Cc1cccc(N(C)CC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)c1 1473151087 FAFLJQJMNFUURH-UHFFFAOYSA-N 432.545 4.956 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(CC)(CC)c3ccccc32)cc1 1475974130 RFCKJLSYQBTAAE-UHFFFAOYSA-N 427.570 4.603 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NCc3nnc(C4CC4)s3)cc2Cl)c1 1476099023 FAQIEROWMHTLPF-UHFFFAOYSA-N 439.928 4.841 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(F)c1I)c1ccc(Cl)cc1F 1476353991 FKOMEAODJKARDB-ZDUSSCGKSA-N 446.622 4.719 30 10 IJEE CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC#N)CC1CC1 1497426764 CWVDXTANQYWSOK-UHFFFAOYSA-N 436.387 4.933 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1507590940 GVEAJEXITHNNJK-HXUWFJFHSA-N 443.389 4.690 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=C)c1ccccc1 1507690584 QEHMBPCZNTWSPW-JOCHJYFZSA-N 449.599 4.566 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1507832601 HJIRNHIQOWDDAU-AVRDEDQJSA-N 445.007 4.831 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1507868749 DWIGYVIHESIODK-UHFFFAOYSA-N 444.004 4.743 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1507904688 NVCXTIBMAATICR-QFIPXVFZSA-N 439.604 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(c2ccnn2C)CC1 1507911015 GIRQUECUIOBUCU-UHFFFAOYSA-N 434.588 4.674 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1Cc1ccnc(-n2cccn2)c1 1508006160 KMYCIVNOYHQILB-SFHVURJKSA-N 433.585 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCC[C@H](C)C1 1508015200 NCHBAJFXUXAAKS-SFTDATJTSA-N 445.615 4.634 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CCC)CC2)C1 1508117579 SAPZSKLDTNXMRK-JOCHJYFZSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1508152959 VITXUEJSXLMGON-NHCUHLMSSA-N 428.646 4.991 30 10 IJEE C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c1 1518226648 RTFNKUZVXBDIMS-GOSISDBHSA-N 448.544 4.644 30 10 IJEE N#C[C@H]1CN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CCN1Cc1ccccc1 1521475727 HYJBVTJXUZPWLE-IBGZPJMESA-N 428.363 4.652 30 10 IJEE C=CCCCCCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 1525483388 GRHUBZFJMRCUDX-UHFFFAOYSA-N 445.283 4.915 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1537130835 JDYQDGXYCPPXFL-QVKFZJNVSA-N 440.462 4.555 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)OCC 1538478842 OYOHVSACBCGYFM-IBGZPJMESA-N 436.961 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(c2ccc(F)cc2)CC1 1539650013 JCZIFYFZGWLNRC-RUZDIDTESA-N 442.579 4.592 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1539684821 IXOZUKXEGDRQSJ-TZIWHRDSSA-N 439.604 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2ccc(C)o2)nnc1[C@]1(OCC)CCOC1 1539932203 YCDNNYHOJKZQRV-CYFREDJKSA-N 428.577 4.775 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1540047714 KPYYSUUWURKUMC-KRWDZBQOSA-N 439.535 4.800 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CCc1sccc1C 1540133009 CYEMNIPRMSHSDA-UHFFFAOYSA-N 446.624 4.945 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1540855470 VOKKPIAFPDYIOT-LJQANCHMSA-N 443.345 4.672 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H](C)c2ccc(OC)cc2)C1 1540887476 XXMYICIOLLMAPR-AVRDEDQJSA-N 436.556 4.830 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCCCc2nc(C)cs2)C1 1540888731 XCMAMGGLTBFPLQ-SFHVURJKSA-N 441.576 4.653 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1540917407 VTZXTYVDPSZJOO-IBGZPJMESA-N 443.661 4.510 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 1542329773 JONRORAOEFDNND-OAHLLOKOSA-N 436.965 4.796 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 1542726228 QLIZIERVZCJAEI-OAQYLSRUSA-N 426.944 4.930 30 10 IJEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC2CCCCCC2)CCO1 1546947864 DMXWCMMYIBBHIF-HSZRJFAPSA-N 437.588 4.561 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@]3(C2)CC3(F)F)nnc1-c1ccc(Cl)cc1 1557330476 VHGKVILKIXQNEF-LJQANCHMSA-N 438.931 4.524 30 10 IJEE C#CC[C@@H]1CCN(CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)C1 1560135745 ARALEQUFKDCENN-OAHLLOKOSA-N 430.957 4.529 30 10 IJEE Cc1cc(C(F)(F)F)nn1CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1562361875 FITVSEPEJZZGNZ-UHFFFAOYSA-N 429.402 4.696 30 10 IJEE C=CC[C@H](CO)NC(=O)Nc1ccc(Oc2ccccc2Br)c(Cl)c1 1562362623 SGOUKDLCZRXHKU-CYBMUJFWSA-N 425.710 4.953 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 1562816652 DOYHAXSNVCQBQO-FQEVSTJZSA-N 441.373 4.923 30 10 IJEE C#Cc1ccc(CNC(=O)N(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)cc1 1564787115 GNRXYJWBISLUTG-NRFANRHFSA-N 441.369 4.630 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 1564913170 HLRMPFCBPDXDGM-LJQANCHMSA-N 430.470 4.896 30 10 IJEE C=CCCC1(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCC1 1584402873 BZFHYJFPBOTACA-UHFFFAOYSA-N 444.572 4.812 30 10 IJEE CC(=O)c1oc2cc(C)ccc2c1CC(=O)Oc1c(F)cc(C#N)cc1Br 1586950991 VCAYFMFXWPAVCM-UHFFFAOYSA-N 430.229 4.865 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1587777735 PKXKRERRIJKDET-GMAHTHKFSA-N 439.673 4.825 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCc2sccc2[C@@H]1CC 1587889329 XRKKANWGYBBONU-IBGZPJMESA-N 436.581 4.854 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(O)CCCCCC1 1588288804 LUVQJHJZVDWVIH-UHFFFAOYSA-N 448.567 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1cccs1 1589504802 JHPQXAAUROOGLE-UNMCSNQZSA-N 433.581 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1N1CCCCC1 1589669384 SHEYKENNHAPELZ-UHFFFAOYSA-N 430.600 4.705 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1593729501 LKUPWPNKFUIOPE-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(c2ccccc2CO)CC1 1594478112 NRFGOBVWOBVDQE-UHFFFAOYSA-N 431.584 4.819 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc3cnccc3c2)nnc1[C@]1(OCC)CCOC1 1594528084 DYRWLXGONCOLFH-SANMLTNESA-N 449.599 4.717 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(OC[C@H]2CCCCO2)CC1)c1ccccc1 1594552235 JRXPHYFJVDGBSE-LADGPHEKSA-N 438.616 4.755 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1594698856 YMHMSUZTUWPTQU-UHFFFAOYSA-N 436.869 4.800 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1Cc1sc(C)nc1C 1595133357 FDHXZTNZYWANGY-UHFFFAOYSA-N 448.571 4.717 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCO[C@@H]1CCCC[C@@H]1C 1595133945 PDGGGJOIEYBACP-XKCSPQBFSA-N 442.579 4.709 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)C(C)C 1595191756 XIBCVQVSPDFMEI-OAQYLSRUSA-N 433.394 4.601 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)c(OC)c1 1618085178 FDFTUMXJOSKLHV-GFCCVEGCSA-N 440.284 4.721 30 10 IJEE COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](SC)C(C)(C)C)c1 1619345128 GRYUZWOADCHHBW-HXUWFJFHSA-N 427.618 4.861 30 10 IJEE C#C[C@H](NC(=O)c1nccnc1SCc1ccccc1)c1ccc(Br)cc1 1628542837 KHOFRRGJOPCGFO-SFHVURJKSA-N 438.350 4.636 30 10 IJEE C=CC1(CC(=O)NCc2ccc(-c3ccc(OC)cc3)s2)CN(C(=O)OC(C)(C)C)C1 1629596437 UMNQJGSTAJIGCO-UHFFFAOYSA-N 442.581 4.853 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3cccc4oc(O)nc34)s2)c(C(F)(F)F)c1 1630488914 RLOLTMGSJMNXCC-UHFFFAOYSA-N 444.394 4.723 30 10 IJEE C#CCOc1ccccc1CNC(=O)CC[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1633750968 IKGVWYSISXIVPM-JOCHJYFZSA-N 442.600 4.959 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1 1639478473 LRDQTMYWKBEYKK-RCCFBDPRSA-N 447.000 4.838 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 1639953806 ICNRJLRNFQETDZ-XMMPIXPASA-N 443.934 4.594 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 1641739020 LINHKOFVQINXCH-OAHLLOKOSA-N 447.398 4.798 30 10 IJEE N#CCCN(C(=O)Cn1nc(-c2ccc(Cl)cc2)nc1Cl)c1cccc(Cl)c1 1644169174 APXJAJPUWIOBII-UHFFFAOYSA-N 434.714 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1649538379 CNRZXLFSVSZGPI-GGAORHGYSA-N 432.572 4.614 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1ccc(Br)nc1N 1652424013 NSSPHVAILFKYEW-UHFFFAOYSA-N 429.131 4.516 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1OC 1652778660 FDMXLKOBMPJEIN-MAUKXSAKSA-N 431.964 4.875 30 10 IJEE Cc1ccc(C[C@@H](C)N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)cc1 1653415659 DJTIKKIXGZENJL-LJQANCHMSA-N 446.570 4.974 30 10 IJEE COc1ccc(CN(Cc2ccccc2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1653598664 FJYKAAXOJHRZEE-AREMUKBSSA-N 425.532 4.765 30 10 IJEE C=CCn1c(Sc2cc(C(F)F)nc(SC)n2)nc2cc(Cl)ccc2c1=O 1654882861 YWYVPHMSFBUBJJ-UHFFFAOYSA-N 426.901 4.837 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)Cc1cc(C)ccc1Br 1657143287 LXTSEIZLKZNEQO-NRFANRHFSA-N 432.383 4.600 30 10 IJEE Cc1csc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1C#N 1661563727 HJXUOMZEZRVESS-FCHUYYIVSA-N 434.540 4.857 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC)c1ccc(Cl)cc1 1663910702 ZFGSVNVBHFUGQF-SFHVURJKSA-N 425.916 4.608 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1666717447 PQZAVCUINGOTFT-YXTQBTIXSA-N 433.618 4.610 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)C1 1669767006 MIGTUTHHVDWVSY-QGZVFWFLSA-N 445.629 4.555 30 10 IJEE Cc1csc([C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C(F)(F)F)n1 1672525575 HJNPMODOFUGQIP-INIZCTEOSA-N 433.415 4.936 30 10 IJEE Cc1ccc([C@H](NC(=O)Nc2sccc2C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 1672812200 BQNJOIDMLDDYCM-HXUWFJFHSA-N 439.562 4.551 30 10 IJEE CO[C@H]1COCC[C@H]1CNC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1672876569 HDCGFBBMARVBEZ-LIRRHRJNSA-N 431.945 4.536 30 10 IJEE COc1ncc(NC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C#N 1680425755 CXZBWAJQEMFOGN-GQIGUUNPSA-N 436.512 4.549 30 10 IJEE C[C@H](CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1cccc(C(F)(F)F)c1 1685262104 DUYLEGDMRWAWCH-MRXNPFEDSA-N 448.464 4.742 30 10 IJEE C#C[C@H](NC(=O)NCCc1csc(-c2ccccc2)n1)c1ccc(Br)cc1 1685572787 TXRSQPIQVILTDZ-IBGZPJMESA-N 440.366 4.789 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(CC)CCOCC1 1689862746 FZJWMPATFHUDFD-OAQYLSRUSA-N 438.616 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cccs1 1690034409 GZTUIBQQRYFMTI-UHFFFAOYSA-N 439.588 4.925 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](OC)[C@@H](C)CC 1690038619 XBCGPKICJNPVRY-OXJNMPFZSA-N 433.383 4.776 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCCCSC 1690188093 DNCGTGVGPBBXNR-XMMPIXPASA-N 439.629 4.673 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ncccc1C 1690193607 NSSSJDIQDAUOTH-HOYKHHGWSA-N 435.959 4.815 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccsc1)N(C)C 1690198673 XYYVINMVKAXSMY-NZQKXSOJSA-N 440.016 4.955 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)C[C@H]1CC 1690230039 OYMHIWJDXFEEJI-GXTWGEPZSA-N 425.321 4.681 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C2CC2)C1 1690301078 OOQXZYVLWCVOQB-IEBWSBKVSA-N 430.980 4.901 30 10 IJEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC(C)C)C1CCCC1 1690312987 IFTQVHNYUFAPHL-HSZRJFAPSA-N 440.588 4.788 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)c1ccccc1 1690321540 FDIQMZJLSWJAPF-AUBMYDRESA-N 437.588 4.608 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCOCC2CC2)CC1 1690369200 BGISXXUESDXLKQ-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCO[C@H](C)c2ccccc2)CC1 1690379254 NFOGMXORCJIOMD-LJQANCHMSA-N 437.613 4.958 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 1690398849 IETOZRUMUCDVBP-DENIHFKCSA-N 438.563 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690435014 OCLXZZGOBWBDGK-MJGOQNOKSA-N 436.522 4.936 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1690455378 HGXUQECGZZABAB-QQMNAOGKSA-N 448.970 4.867 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1690465534 DWWZFUOCXAAOHC-SFHVURJKSA-N 440.485 4.912 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1690558520 STQNWILQSQHTDW-WOJBJXKFSA-N 442.567 4.608 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1sccc1C 1690585037 ATBHAFZQHAHTPZ-UHFFFAOYSA-N 432.391 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1690600997 NDQMLWJFAAEXKZ-JTSKRJEESA-N 433.021 4.953 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)N1CCC[C@@H](C)C1 1690602317 LRPPNQGWVOYZKN-YADHBBJMSA-N 432.616 4.629 30 10 IJEE CCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1695193421 CLFZHXJRSCSCTF-NZQKXSOJSA-N 439.604 4.806 30 10 IJEE COCCC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C#N)C1 1697910076 GFVQKNCFKYCUBQ-NTKDMRAZSA-N 443.567 4.540 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC(CC)(CC)SC 1705575868 BCHOOSLRUCEFDZ-UHFFFAOYSA-N 445.430 4.702 30 10 IJEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1705728121 WXUGZVCROZFJKQ-UHFFFAOYSA-N 436.457 4.510 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1705733478 OSFSNWYTHVGZNF-GOSISDBHSA-N 448.970 4.583 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1705736826 DOJRQOATDXZZJH-HXUWFJFHSA-N 432.996 4.691 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1705777642 IZGBGQXJOTYLDX-IBGZPJMESA-N 429.012 4.516 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1CCC 1705834271 HOWXLXFGVAJYHC-UYAOXDASSA-N 432.012 4.958 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC=CCC1)C(C)C 1705868016 ZIGKTAWETXUGBS-DEOSSOPVSA-N 430.600 4.891 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705888325 RCKOEDADNSTSGU-URLQWDBASA-N 431.378 4.917 30 10 IJEE C=CCSCCn1c(N2CCS[C@H](C)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1705950360 YMZJINLNVWYJGW-RTBURBONSA-N 428.671 4.998 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1708575847 FEUSDRITLIYGBW-YLJYHZDGSA-N 440.592 4.602 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1CCCCO1 1722280059 IRSJCBMYXUAGAE-APWZRJJASA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1cccs1 1722325006 CJJNJIOLLHXYNW-INIZCTEOSA-N 444.402 4.863 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](SCC)C1 1722337509 CEZYYYAREMPXAQ-JOCHJYFZSA-N 426.630 4.999 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1Cc1coc(-c2cccs2)n1 1722415679 PKZWZCUCJLFBGP-UHFFFAOYSA-N 447.564 4.644 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCC1 1722420549 HRGBGBARGPYFAJ-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCCSC 1722493975 BCHGXKKOMHGDCX-HNAYVOBHSA-N 439.000 4.908 30 10 IJEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCSCC(C)C)CC1 1722566792 ZDRSRTSGFOCDAO-OAQYLSRUSA-N 428.602 4.726 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C3CC3)C2)nnc1C(C)(C)C 1722593412 QRBPEFPGROFYTN-RBUKOAKNSA-N 445.652 4.917 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@H](C)C1 1722660872 JXMAOYMTOCNSOB-ROUUACIJSA-N 436.585 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)cc1 1722663463 XTLMUNVVUNSJLN-UNMCSNQZSA-N 438.597 4.613 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCn2ccnc2C1 1722668501 ZOGJRLDNJBNDAM-FGZHOGPDSA-N 446.599 4.672 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](OCC(C)C)C1 1740572643 RELJLQWQTFYBNI-SFHVURJKSA-N 445.405 4.762 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1740583481 PRMWMUDNQHMVJI-RBUKOAKNSA-N 445.405 4.761 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740601983 OCDOQQQPUWRWCB-PMACEKPBSA-N 444.627 4.628 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1(OC)CCC1 1740658059 BQPZMXJEOJLKJX-UHFFFAOYSA-N 448.611 4.577 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@@H]1CCO[C@H](C)C1 1740764691 IVTGGGIDFWLOKV-NHCUHLMSSA-N 439.604 4.755 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740870241 KPJWJAMGPSUNIK-BBRMVZONSA-N 446.420 4.669 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC[C@@H](C2CCC2)C1 1740871600 IPNOCTCISUXUSV-SFHVURJKSA-N 430.980 4.826 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCN1CCC)C1CC1 1740907738 XWIWWVHDPSIXSV-IBGZPJMESA-N 429.996 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCCN1CCCC 1748684424 JBBFYZKCDZUKDJ-GOTSBHOMSA-N 437.632 4.586 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC=C)Cc1cccs1 1748709036 NTVVZIJPGNANFP-UHFFFAOYSA-N 434.565 4.774 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1748937592 MIRRPLZEODPXMK-SFTDATJTSA-N 438.616 4.819 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC1(CCOC)CCCC1 1749059644 APLVKRWNAOZCTC-JOCHJYFZSA-N 427.980 4.583 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCn1cc(Cl)cn1 1749060225 LGJYVTHPTAXBPE-HXUWFJFHSA-N 449.773 4.794 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1749091703 DQVYFARCYALAPH-RBUKOAKNSA-N 445.405 4.946 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(OC)ccc1Br 1749187752 IXNPCZKSFJQXPV-UHFFFAOYSA-N 442.361 4.632 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN(C)[C@H](C)CC)CC1 1749294284 UYUOWAOHQUQRQS-HXUWFJFHSA-N 441.620 4.628 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1749357057 IDMOAMIBXFXDQR-UHFFFAOYSA-N 437.632 4.993 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@@H](NC(=O)CCC)C2)nnc1C(C)(C)C)c1ccccc1 1749386363 ZXVMJNMVSBIIQN-FCHUYYIVSA-N 437.632 4.821 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CC(F)(F)CO1 1749552982 MSWFQRDXAVHGTQ-INIZCTEOSA-N 436.553 4.609 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CCCNC(=O)OC(C)(C)C 1749561527 PUCGUKPEYVXFKV-UHFFFAOYSA-N 431.968 4.692 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CCc1csc(C)n1 1749584200 JJDWKQYBERSXAQ-UHFFFAOYSA-N 432.597 4.526 30 10 IJEE CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1)c1ccccc1 1752727922 DTMBFLDKKIKUJK-QZTJIDSGSA-N 430.556 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC1CCC(OC)CC1 1760098704 WDSYQAQQTNKKRF-ZMTPEHOPSA-N 428.552 4.610 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1760130671 NOMRPSBUWJLMJD-NRFANRHFSA-N 426.362 4.641 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](N2CCCCC2)C1 1760145126 INTXWKDWOSCEOR-PKTZIBPZSA-N 435.616 4.513 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760158429 NPBMHQLAZIQWBU-NZQKXSOJSA-N 436.600 4.573 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCO[C@H]1C(C)C 1760298414 HHEMVSMMWZCZOO-LJGDZFJRSA-N 436.600 4.527 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCC(C)C)CC1 1760402817 VTKUFZHVIQRXLR-NRFANRHFSA-N 428.602 4.582 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2F)CC1 1760412094 IAQBGBILPJJKDR-NRFANRHFSA-N 427.568 4.588 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC=C(Br)C1 1760422196 JHXKVWTXXHKDLA-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C 1760426286 MIXLJGKIBGYOKN-UHFFFAOYSA-N 437.979 4.816 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCc2ccc(Br)cc2C1 1760437582 IDSCZBMTXNVLAR-UHFFFAOYSA-N 438.373 4.940 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1760479205 HUMSZRLZVFDDNX-SFTDATJTSA-N 446.643 4.976 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2[nH]c(C)c(C)c2c1 1760489621 XEBJSYSQFGQGMZ-SANMLTNESA-N 449.599 4.644 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCCO1 1760491254 ZBRHGOCKFVAQIL-MRXNPFEDSA-N 435.341 4.594 30 10 IJEE C=CCOc1ccc(C=NN=C2NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)S2)cc1OC 1772742164 DLEGZUKCVSBTNQ-JOCHJYFZSA-N 437.565 4.548 30 10 IJEE COc1cc(C=NN=C2S/C(=C\c3cccs3)C(=O)N2Cc2ccco2)ccc1O 1772757430 FNPDVYOJAHPYHT-NFSYISOKSA-N 439.518 4.562 30 10 IJEE CCCCCCCCn1cc(O[C@H](CCc2ccc(C)cc2)C(=O)O)c(=O)cc1C(=O)O 1857891014 JBRHBCIYHGHMJB-JOCHJYFZSA-N 443.540 4.680 30 10 IJEE C=CCNC(=O)[C@H](CCCC)NC(=O)c1ccc2nc(-c3cccc(OCCC)c3)[nH]c2c1 1860957465 VBCCHYKKWYUVBM-QFIPXVFZSA-N 448.567 4.610 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861190981 WCOIRABDOZUCEZ-UPVQGACJSA-N 445.623 4.505 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(O)cc2)cc1 1862389278 BXCQRRRZPRTYQD-DEOSSOPVSA-N 442.515 4.908 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CCCC)cc2)[C@H]1c1ccc(OC)c(OC)c1 1862396553 FYRRKVPOEMLTPW-HSZRJFAPSA-N 435.520 4.811 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862596593 IYTNKOAAVUQNDP-HSZRJFAPSA-N 447.462 4.709 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(F)cc2)cc1F 1862639341 WDSRUESSEFHGHC-HXUWFJFHSA-N 441.455 4.813 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)CCCN2C 1862658605 SNXONAAIGPRIJL-VWLOTQADSA-N 438.527 4.987 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1F 1862725940 VJKWAAMVAKATNE-CMJOXMDJSA-N 449.453 4.591 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862746814 JSBGARBIUDAKJV-QHCPKHFHSA-N 442.471 4.806 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(CC)cc2Br)=C(c2ccccc2F)C1=O 1863302875 YYYIOWFOTGXYAS-UHFFFAOYSA-N 429.289 4.529 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2cc(Cl)ccc2Cl)C1=O 1863730059 KVFOOUFJOQPDTK-UHFFFAOYSA-N 440.415 4.585 30 10 IJEE CC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867739978 HHNLMMQHOZZETE-JKSUJKDBSA-N 438.742 4.845 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C 1868696148 RLWLJPIAOFOVAE-CLJLJLNGSA-N 448.607 4.758 30 10 IJEE CCCCCCCOc1cn(CCc2ccc(F)cc2)c(CN2CCC(O)CC2)cc1=O 1870412892 MRYVEFMRITVAIK-UHFFFAOYSA-N 444.591 4.536 30 10 IJEE CCCCCCCOc1cn(CCCCCO)c(CNc2ccc3c[nH]nc3c2)cc1=O 1870838041 LJYGSTBEZVKLEW-UHFFFAOYSA-N 440.588 4.849 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(C)cc1C 1870972243 QANQZFDQGNOSPV-UHFFFAOYSA-N 441.616 4.953 30 10 IJEE O=C(COc1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC(F)F)C2=O 1871364788 SUVXMWXYGRPKHS-MTJSOVHGSA-N 438.382 4.889 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cccs1)C2=O 1871392701 NILPMNZVMQTAIG-UYRXBGFRSA-N 429.538 4.544 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)N[C@H](C)c4ccccc4)c3C)C2=O)cc1 1871424531 MOHOELMSZQQDJD-BEXDPUPVSA-N 443.499 4.876 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871896218 IKYGXCIGKJFVNN-JOCHJYFZSA-N 428.598 4.823 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)[C@H](C)CC)S(=O)(=O)CC 1872157268 GYOPDOOTEKOVTG-GCJKJVERSA-N 429.586 4.621 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)C(C)C)S(=O)(=O)c1ccccc1 1872296534 NXVYTUZIVYAPLK-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872441860 UKBDANHCKIZCTE-HRAATJIYSA-N 434.989 4.879 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872447588 HSMAZEIMOSXEES-GOSISDBHSA-N 434.989 4.859 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)[C@H](C)CC 1872613999 WYEVSDIJYYMHJJ-WIYYLYMNSA-N 428.614 4.776 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1 1872725739 XFXFEFQEKBZODL-UHFFFAOYSA-N 429.582 4.805 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c1 1872774836 CUFDHNLTCAMYMR-PFWMLDTASA-N 438.480 4.865 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCCOC(C)C)C1=O 1873113018 IVEKTDWBGMUQKZ-UHFFFAOYSA-N 436.543 4.810 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1873609628 KHVWWAKLFKSIHP-UHFFFAOYSA-N 445.498 4.672 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(O)cc1O 1874230499 MMQRRYWKYXAKQV-AUEPDCJTSA-N 444.944 4.781 30 10 IJEE COc1cccc(/C=N/n2c(CC34CC5CC(CC(C5)C3)C4)nnc2SC)c1OC 1874242002 KEMVDUZDZLMDED-ZVHZXABRSA-N 426.586 4.658 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3F)n2/N=C/c2ccco2)cc1 1874374601 DZUJMRBTYAHWQY-YDZHTSKRSA-N 437.456 4.684 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cn(C)c2ccccc12 1874457126 BNOWIGIJFRICKW-WYMPLXKRSA-N 439.585 4.601 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)c1OC 1874466063 PGATWWHACDQENQ-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCC(=O)Nc1cccc(C)c1 1874577112 WUJSPTKAQRRSJG-CCEZHUSRSA-N 431.488 4.926 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)cc21 1890923945 VKJAHTMHIPHFMQ-UHFFFAOYSA-N 435.455 4.671 30 10 IJEE C[C@@H](C(=O)NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 1891047748 CJCWWEYFGVIZFU-CQSZACIVSA-N 440.259 4.770 30 10 IJEE CN(CC#CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccccc1 1891078875 IKMLAOKSSJEEKE-UHFFFAOYSA-N 428.376 4.589 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 1983329115 GLGBCRLUTDTDCB-BBTUJRGHSA-N 429.479 4.556 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1F)c1ccc(F)c(F)c1 2033813311 NVIRIIHZKNGEPR-IBGZPJMESA-N 429.419 4.944 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CC[C@H](CCNC(=O)OC(C)(C)C)C1 2037242647 IJFJCWRBOVXFTE-VIICAESSSA-N 446.632 4.574 30 10 IJEE N#Cc1ccc(Br)cc1NCC1(F)CCN(C(=O)OCc2ccccc2)CC1 2043969256 ZFTKCYSOAJHXDX-UHFFFAOYSA-N 446.320 4.874 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccccc1)c1cccc(Br)c1 2072712739 QLALSXLGFWFOCA-FQEVSTJZSA-N 449.304 4.623 30 10 IJEE O=c1cc(-c2ccc(F)cc2C(F)(F)F)[nH]c2c(Br)c(C(F)(F)F)nn12 2080936732 XRVLECAPFBSUBU-UHFFFAOYSA-N 444.104 4.629 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(CNc2cc(Br)c(C#N)cc2F)CC1 2106015516 HXLVQMCXIKNHJE-UHFFFAOYSA-N 430.293 4.611 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNc2cc(Br)ccc2C#N)CC1 2106959372 ODTFIHCPVMBMSU-INIZCTEOSA-N 426.330 4.718 30 10 IJEE CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(Br)cc1C#N 2174812411 KSKYNDYTCZLHJH-OAHLLOKOSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(c3cccc(Br)c3C#N)C2)C1 2174812713 NXJWUSVHUJWGLP-OAQYLSRUSA-N 434.378 4.938 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(Nc2cc(Br)cc(F)c2C#N)C1 2182455394 XNNQLQKUZHWTLF-RBUKOAKNSA-N 442.304 4.753 30 10 IJEE C=C([C@H](NC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229130332 MXMHIPRCJRMAAT-ROUUACIJSA-N 441.486 4.907 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CCCC[C@@H]1NC(=O)OC(C)(C)C 2235747849 UDNWYEIZYCFGTH-XQBPLPMBSA-N 435.406 4.862 30 10 IJEE C#CC(C)(C)C[C@@H](NCC)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237427314 XGLKVDHHAXZEMZ-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE COc1cccc(C#C[C@@H](N)c2ccc(Br)cc2NC(=O)OC(C)(C)C)c1 2237751102 MVHRGQGVONVYQD-GOSISDBHSA-N 431.330 4.856 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2244487423 QGHHCLIPTDLHRP-OALUTQOASA-N 435.487 4.763 30 10 IJEE CC1(C)OB(c2ccnc(Oc3cc(Br)ccc3Cl)c2F)OC1(C)C 2265861954 GQYAYPRIKAIIIX-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C=CCCC1(C(=O)Nc2ncc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2266309628 HFGVRSRDZUOBML-UHFFFAOYSA-N 444.757 4.639 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267093806 YDLPCBZSAMHCTE-RTBURBONSA-N 444.381 4.565 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2279718914 PBQRYNUAMUWJLH-KPLVRAHFSA-N 434.374 4.731 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCN)c1cc(Br)ccc1OC(F)F 2293330110 OIOAPEXAKUPSCW-LJQANCHMSA-N 442.300 4.840 30 10 IJEE NC(=S)NN=Cc1cn(-c2cccc3ccccc23)nc1-c1ccc2c(c1)CCCC2 2296403391 KVLNILSQKUJNIY-UHFFFAOYSA-N 425.561 4.738 30 10 IJEE CCc1ccc(N=C2NC(=O)C(=Cc3cc(Br)c(OC)c(OC)c3)S2)cc1 2297561578 LVJYGRKFFUAAKQ-UHFFFAOYSA-N 447.354 4.920 30 10 IJEE COCCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 2297741580 LWTXCJQENKKRSM-DEOSSOPVSA-N 443.499 4.855 30 10 IJEE CCN1C(=O)C(=CC(Cl)=Cc2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 2314926106 BAPYZQIJTDILHF-UHFFFAOYSA-N 428.897 4.837 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1ccccc1CC 2320941222 VXPPNWJPUBMNKX-UHFFFAOYSA-N 449.580 4.581 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(C(C)(C)C)cc1 2321095997 DQXCMWASBZYTAA-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE COc1ccc2ccccc2c1C=NNc1cnn(-c2ccccc2)c(=O)c1Br 2322638427 SUJGXKFEUGMZPU-UHFFFAOYSA-N 449.308 4.603 30 10 IJEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2ccc(OC)c(OC)c2)c1 2323060049 AALOCLGEIGHFRQ-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)C=Cc4ccc([N+](=O)[O-])cc4)ccc3C2=O)c1 2323589254 DYRFKWQXODTFTL-UHFFFAOYSA-N 443.411 4.838 30 10 IJEE CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325424735 WPAOZTRVUSNJHC-QGZVFWFLSA-N 427.456 4.911 30 10 IJEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325509599 YXAKEKYXRMFIKK-UHFFFAOYSA-N 425.514 4.717 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325554508 GFBATYOGMLYMRA-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)c1 2325572086 OPMUZXAKTVAVMP-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1ccc(OC(C)=O)cc1 2325750983 YBJJCJBNVQPRJK-UHFFFAOYSA-N 434.419 4.875 30 10 IJEE CCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2326315603 KAHZDMMWCWIPAM-UHFFFAOYSA-N 439.541 4.755 30 10 IJEE CCCOc1ccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 2328082165 LRQNDWIMESVRFR-IRLDBZIGSA-N 441.959 4.653 30 10 IJEE CCCNC(=O)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccccc1Cl 2329559738 LMCXIUMFGCDSHV-UHFFFAOYSA-N 448.379 4.752 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C)cc1 2330867310 QFJROCSOLCFNFH-UHFFFAOYSA-N 429.634 4.798 30 10 IJEE CCCSc1nnc(C2CCCC2)n1N=Cc1cc(Br)c(O)c(OC)c1 2331081639 UHYYHRPWNAFFBL-UHFFFAOYSA-N 439.379 4.797 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(C)=O)c([N+](=O)[O-])c2)cc1OCCC 2331109739 AACMEOLFDVZMDZ-UHFFFAOYSA-N 427.453 4.994 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCCc2ccccc2)nnc1C(F)(F)F 2331142329 SWRFSDIAMPSZDN-UHFFFAOYSA-N 426.851 4.873 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)CCOC 2331282455 XNFVQHNILDEHOC-UHFFFAOYSA-N 447.325 4.994 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccc(F)cc1F 2331327804 WTTHHTPQDWQUGQ-UHFFFAOYSA-N 443.523 4.820 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc(Cl)c1 2331430436 UJZUASRVCPPABO-UHFFFAOYSA-N 445.951 4.882 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cccs1 2331512171 LDLBJUCBZBEZGX-UHFFFAOYSA-N 425.583 4.837 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(F)c2)c1C 2331673872 WUJMMMBZUOOVFX-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE COc1cc(C(=O)C=Cc2cc(OC)c(OC(=O)C(C)C)c(OC)c2)c(OC)cc1Cl 2331687930 CBLGYTZQWSTNED-UHFFFAOYSA-N 448.899 4.832 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1N=Cc1c(F)cccc1Cl 2331706910 QKKPBJGBHIUDMD-UHFFFAOYSA-N 439.988 4.817 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(NC2CC3(C2)CC(OCc2ccccc2)C3)n1 2337026890 XJJWNRZTYOIQPE-UHFFFAOYSA-N 434.389 4.629 30 10 IJEE CC(C)(CCCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2339584705 FHUSMNXDFDHECP-FYWRMAATSA-N 445.413 4.644 30 10 IJEE Cc1cc(F)cc(Br)c1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364909268 GXTIUHRDGGGBJZ-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3sccc3C#N)[C@@H]2c2ccccc2)cc1 9223347 UOVZOKVQSFMPPM-IRLDBZIGSA-N 431.517 4.751 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OC)N2 14546112 SSHBKEXWFGRVLJ-WZOHSFFVSA-N 436.577 4.884 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccc(F)cc2)Nc2cccc(C)c2C)c1C 32973385 RMIZMLBQIYZVBY-UHFFFAOYSA-N 435.547 4.716 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)o2)c1 33458445 FMKHQPYKKUIYOL-JOCHJYFZSA-N 432.476 4.550 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(F)c4)cc(C)c3C2=O)cc1 41430637 DQGVQNRUAVLRIT-NHDPSOOVSA-N 432.403 4.756 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN(Cc1cccs1)CO2 41645953 BQSSBSGTJUCMGA-JMIUGGIZSA-N 434.473 4.933 30 10 IJEE CCCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccccc2)n1 58992726 SQRNIUCPAHLYIR-HYARGMPZSA-N 440.598 4.874 30 10 IJEE C/C(=N\Nc1nc(SCC(=O)Nc2cccc(C)c2)n[nH]1)C12CC3CC(CC(C3)C1)C2 59310637 KIIRZFBNRPCHOI-CVKSISIWSA-N 438.601 4.848 30 10 IJEE N#Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)c(F)c1 64747164 WSNXDZLCGYORIK-KRWDZBQOSA-N 430.361 4.743 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 107786956 XTARZPDNEJGQGR-UHFFFAOYSA-N 438.487 4.935 30 10 IJEE COc1cc(/C=N/Nc2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1OCc1cc(C)ccc1C 169876934 BGSHCFCNYWIIPR-DHRITJCHSA-N 449.463 4.943 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 169930955 DLOLPCRSZJBFHL-XMMPIXPASA-N 441.483 4.721 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccs2)c1 169989522 BNLAEWMBJUIRIM-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccncc2)c1 170014707 AIFCLTAZGZRBJF-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccncc2)c1 170014838 QUBOLUVVKSPGEE-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2)cc1 170052868 WPSDZSAETHGAEZ-FQEVSTJZSA-N 434.517 4.942 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1C 170066797 SWTLKNPKBQQRNT-URXFXBBRSA-N 449.547 4.884 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 170068525 WKTFPQXZLORNAK-HSZRJFAPSA-N 438.543 4.788 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2cccc(O)c2)cc1C 170080861 WDJQWINRHXTFEW-DEOSSOPVSA-N 441.483 4.727 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)cc1C 170200207 ZGUHABPHPCCMCS-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccncc2)cc1 170201590 LXOHLYOLMPEESK-QHCPKHFHSA-N 444.487 4.605 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccncc2)c1 170202813 JXVZXJQGXYASCX-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(O)c2)c(C)c1 170256694 DZHWTNIBMHQGCL-OAQYLSRUSA-N 435.501 4.549 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(CC)cc1 170268172 FEHMTFYWAMQMGU-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2C)c(OC)c1 170272096 FNWBTXWVLRFZSD-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccco2)c1 170279787 CYHHDHSYMFBYAM-GOSISDBHSA-N 429.881 4.782 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3OC)[C@@H]2c2ccco2)cc1 170283267 KBTMBEWYDZSZON-QFIPXVFZSA-N 433.460 4.642 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2c[nH]c3ccccc23)c1 170382789 OLFFXROYXABECI-HSZRJFAPSA-N 439.471 4.745 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)SC1=Nc1ccccc1C 252611197 IHKAVJMNLWTVNK-LJQANCHMSA-N 443.956 4.803 30 10 IJEE CC[C@@H]1NC(=Nc2ccc(I)c(Br)c2)S[C@H]1C 387341616 FFDMFDROOUUQQL-CPCISQLKSA-N 425.133 4.545 30 10 IJEE CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(F)c(C#N)c1 431916603 OAZOTRIFTYBITH-OAQYLSRUSA-N 429.904 4.546 30 10 IJEE C=CCOc1cccc(NC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)c1 437396497 QEHAIMDLAJGONT-IBGZPJMESA-N 426.517 4.857 30 10 IJEE Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)o1 442144099 XSKKGIJMVAEBCK-WDYCEAGBSA-N 425.554 4.921 30 10 IJEE C=CCn1c(SC[C@@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1cccc(OC)c1 443406095 LNZFQGKKKRKGRE-KRWDZBQOSA-N 449.498 4.854 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 460900253 BUVXFARZFSBROQ-QFIPXVFZSA-N 427.552 4.722 30 10 IJEE Cc1cc(C)nc(-n2nc(C(=O)Nc3sc4c(c3C#N)-c3ccccc3CC4)cc2C)n1 488161369 QLOGVXOKNHUGIG-UHFFFAOYSA-N 440.532 4.539 30 10 IJEE C=C(C)C(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]21 504329044 DVEHRVPFAWVDCV-HNIKUPEQSA-N 430.585 4.752 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 508924326 QIGUJBIYRUSBEU-MRXNPFEDSA-N 445.951 4.512 30 10 IJEE COc1cc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1OC(C)=O 526516529 OYARVNRLIOYZID-QFIPXVFZSA-N 446.484 4.611 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526517580 UTVNEJJBWPBECS-DEOSSOPVSA-N 425.488 4.690 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2ccsc2)C1 563472871 UCCYMPGKBYLZLJ-FKBYEOEOSA-N 436.581 4.739 30 10 IJEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)Cc1ccc(Cl)cc1 577424763 FFQSIWBJROSEJL-OAHLLOKOSA-N 434.931 4.501 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](c2cc(B3OC(C)(C)C(C)(C)O3)cc(C3CCC3)n2)C1 607718025 SCORTSOYMRHFKY-SFHVURJKSA-N 442.409 4.763 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 673738870 ODBWRIVZTHVIDU-UHFFFAOYSA-N 437.406 4.677 30 10 IJEE FC(F)C(F)(F)COCCc1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1 685229527 FAFHLSXGCPARSC-UHFFFAOYSA-N 443.344 4.748 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)COc2cc(O)ccc21 698445517 OWLFXACGYWFFLM-FQEVSTJZSA-N 431.286 4.708 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ncc(Br)cc1Br 698960949 BJWRXPYVCSTENB-GFCCVEGCSA-N 433.144 4.818 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCN(Cc2ccccc2)[C@H](C(C)C)C1 704720149 SGVDJFMOYZNAOB-SANMLTNESA-N 448.460 4.637 30 10 IJEE C=CCC1([C@H](Cc2ccc(F)c(Br)c2)NCC)CN(C(=O)OC(C)(C)C)C1 722924505 ZNRMMAFVMUFTGU-SFHVURJKSA-N 441.385 4.922 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc2ccccc2c1 733200142 BOBFLUNSVAAILM-HSZRJFAPSA-N 441.556 4.501 30 10 IJEE Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1cc(Cl)ccc1OCC#N 735334563 KDTAMQCKRIMTPV-UHFFFAOYSA-N 430.291 4.806 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(-c2ccccc2F)n(CC=C)c1=S 745162821 ZEJBUWOEORCFDC-UHFFFAOYSA-N 439.516 4.960 30 10 IJEE CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)cc1 764917237 OFVBOPXDWZDBIQ-AWNIVKPZSA-N 436.476 4.577 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCc1cccc(C(F)(F)F)c1 766839996 FULGVEKWMBEMSD-OAHLLOKOSA-N 438.833 4.956 30 10 IJEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)CC1 797570325 FVJBRWDGVKQVAI-LJQANCHMSA-N 438.597 4.581 30 10 IJEE CC(C)c1cccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 919449255 BYHFDBDXHNILKW-GJZGRUSLSA-N 426.538 4.570 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1Br 1124422234 AZMXBICPNGILIC-UHFFFAOYSA-N 447.292 4.882 30 10 IJEE C#CC[C@]1(C(=O)N2CCCc3cc(Br)ccc32)CCCN1C(=O)OC(C)(C)C 1125319605 LCCZMAFJOJGOMR-JOCHJYFZSA-N 447.373 4.521 30 10 IJEE COc1cccc(C2=NO[C@H](C(=O)N(Cc3ccc(Cl)cc3)c3cccc(C#N)c3)C2)c1 1126096655 FSYUMRGREUNABP-DEOSSOPVSA-N 445.906 4.947 30 10 IJEE C=C(C)[C@H](NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)c1ccc(F)c(F)c1 1128248902 JZSJEKSEKIYOBX-NRFANRHFSA-N 429.417 4.965 30 10 IJEE C#CC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1128745123 JINACDKDZXITMJ-SZNDQCEHSA-N 425.356 4.964 30 10 IJEE C#C[C@H](CCC)NC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 1129728924 OOCJTYNBKYRBBW-OAHLLOKOSA-N 432.492 4.551 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2F)c1 1130164209 XIJFQMHXIUVVMR-UHFFFAOYSA-N 445.903 4.508 30 10 IJEE C=CCC1(C(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)CCCCC1 1136718986 NLMMUBLSUFDWEF-UHFFFAOYSA-N 437.584 4.584 30 10 IJEE C=C(C)[C@H](NC(=O)CSc1nccn1-c1cccc(OC)c1)c1ccc(F)c(F)c1 1138368559 JJWWSAWKKLGARB-NRFANRHFSA-N 429.492 4.685 30 10 IJEE C=CCSc1ccccc1C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 1147990192 HBQWIHRJQYWGMO-IEBWSBKVSA-N 448.510 4.642 30 10 IJEE C=CCn1c(SC[C@H]2CN(C3CCCCC3)C(=O)O2)nc2sc(C)c(C)c2c1=O 1164583701 CCSWDBDFXUGDOM-MRXNPFEDSA-N 433.599 4.506 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)C[C@@H](C)c2ccccc2)n(Cc2ccc(F)cc2)c1C 1167313675 IEWSNSNLBKPWGK-GOSISDBHSA-N 432.543 4.838 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CC2CCCCC2)CC2CCCCC2)c1 1185822154 FCEPWIRCKAXCLO-UHFFFAOYSA-N 432.630 4.754 30 10 IJEE C=CCn1c(SCc2nc(-c3ccc(F)c(F)c3)no2)nc2sc(C)c(C)c2c1=O 1188226719 VHJAWKZBNDJZKL-UHFFFAOYSA-N 446.504 4.881 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)cc1 1199058616 GGBJHQJGPUOZCA-UHFFFAOYSA-N 449.551 4.715 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 1208267320 BYTRQZOROMBHOO-UHFFFAOYSA-N 445.588 4.608 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2)cc1 1214955576 FKMHJRPVRCYZJJ-DEOSSOPVSA-N 440.503 4.976 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 1221729688 AINCXSWHSKBADL-QFIPXVFZSA-N 435.612 4.845 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1)c1ccc(F)c(F)c1 1234556205 QKCCKYZLQDONFH-RJGXRXQPSA-N 439.510 4.849 30 10 IJEE Cc1cc(C#N)cc(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)n1 1274124418 HRDVFCPQYPUYFO-FQEVSTJZSA-N 440.272 4.922 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CCOC)CC1 1286277414 CPQQYLDELVAWTL-RTBURBONSA-N 445.007 4.963 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 1286330032 YEDKDFGEHKPIDB-UHFFFAOYSA-N 433.781 4.815 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(C)CCCO1 1286454455 XSGBTHJGPAIAIH-JPYJTQIMSA-N 430.980 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N(CC)CC 1286519402 WUCNHSPNJYNUKG-XLNZFTOWSA-N 444.023 4.794 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCOCC 1286548779 BTAOSUMOWLFDFB-DENIHFKCSA-N 444.645 4.729 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1286587441 JJDLRZQIVHBFIA-AZUAARDMSA-N 435.572 4.789 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCC[C@H](C)C2)CC1 1286656716 VAOPABIGAQRSRL-SFHVURJKSA-N 444.023 4.741 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](CCOC)C1 1286826244 BSDXRBGSVYKZQX-MSOLQXFVSA-N 446.686 4.913 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCCS2)C1 1288974898 ICTKJPSLRAJFRD-GCJKJVERSA-N 447.555 4.962 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1OCc1cccc(Cl)c1)C(=O)OC(C)(C)C 1293663796 PATGGQJGPUWCPU-UHFFFAOYSA-N 428.916 4.728 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(Nc2ccccc2C)CCCC1 1297844521 FZYWRWSUIQOJMH-IBGZPJMESA-N 435.996 4.872 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)C1 1300341889 MKCKEJIGNXZFJN-FDDCHVKYSA-N 430.980 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H]1CCO[C@@H](C)C1 1300807651 BWTALLRQUCHXDW-MFSJNOQSSA-N 426.992 4.720 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1occc1C 1300913017 PFODUTUGNCAIEB-LJQANCHMSA-N 443.592 4.745 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](c2ccsc2)N(C)C)CC1 1301095495 IIWYOVSOZPQGKI-FQEVSTJZSA-N 441.576 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1301141251 KBALFHCKZRDDRN-LJQANCHMSA-N 439.604 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301160087 MAOYBMMYGNSSHI-JOCHJYFZSA-N 434.588 4.843 30 10 IJEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1301177121 SSYZDONSIDAUNU-IBGZPJMESA-N 434.592 4.682 30 10 IJEE C=CCCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301185817 LHZSAOLGWPVSSP-IBGZPJMESA-N 448.615 4.914 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(CC(C)C)C2CCCC2)cc1 1301519575 UXFOVMOFFUSZLO-UHFFFAOYSA-N 434.588 4.697 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Br)s2)nnc1N(C)CC 1301528565 BNMNGJAGNQMJNZ-UHFFFAOYSA-N 433.375 4.838 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(O)(CC)CC)C1 1301542012 HWZMUDVWWATWED-MRXNPFEDSA-N 439.387 4.584 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1301542833 RXMLIBFQNICKLJ-GPMSIDNRSA-N 448.970 4.723 30 10 IJEE C=CC[C@H](CC)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1312599746 DTAMSOTVFLRTPN-BVSLBCMMSA-N 445.604 4.832 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1351977304 YYOCYEFZRCZDGT-UHFFFAOYSA-N 441.574 4.961 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c1 1352420582 ZASGVDCVBPFSAO-FQEVSTJZSA-N 444.556 4.633 30 10 IJEE C=CCC1(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CCCCC1 1355315202 YYEGSNHTGBPFEB-UHFFFAOYSA-N 434.602 4.725 30 10 IJEE C=CCc1cc(CNC(=O)c2c(-c3cccc(Cl)c3)noc2C)cc(OC)c1OC 1358049232 LUPKVAFEILIJCX-UHFFFAOYSA-N 426.900 4.979 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cn(-c2ccc(F)cc2C)nn1 1358424188 AUZKHUWXKWVQIN-UHFFFAOYSA-N 443.457 4.881 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCOC1CCCCCC1 1358882165 UQVILSFZHDOZTK-LJQANCHMSA-N 440.588 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1359071056 BLPKZIGUUSGFDP-VAPDBKPJSA-N 438.591 4.841 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2CC)nnc1N1C2CCC1(C)CC2 1359087869 SYEAFMXHBFBHBZ-UHFFFAOYSA-N 431.378 4.849 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1359198819 BYKMZRAMXQEWBQ-UHFFFAOYSA-N 432.528 4.878 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1359199883 LBSSIRIYGYPUEL-UHFFFAOYSA-N 449.599 4.842 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(Br)c1)C1CC1 1359248270 HKJLQALYVQXNRV-UHFFFAOYSA-N 443.345 4.821 30 10 IJEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1359284711 HSFDHGKLSYGLDY-SFHVURJKSA-N 437.544 4.713 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@@H](C)[C@@H]2C)cc1 1359307821 WCJASIPIWJSUAM-OALUTQOASA-N 435.597 4.592 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CCCCC1 1360877262 BRTFYLATPLCWAP-UHFFFAOYSA-N 426.557 4.567 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1434967976 OEZHXHOMOHODRB-IBGZPJMESA-N 430.545 4.784 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 1436648428 KJHSSPJYOZOHST-RTBURBONSA-N 435.738 4.742 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3cc(OC)c(OC)cc3c2)CCCN1C(=O)OC(C)(C)C 1437887702 IAAVNBYNJLXUIQ-RUZDIDTESA-N 438.524 4.589 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C)C(C)C 1448622762 RODDUWRYCZBPGR-OAQYLSRUSA-N 440.609 4.789 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 1459001779 SZQFUPUBLGPALY-GOSISDBHSA-N 445.903 4.992 30 10 IJEE N#Cc1cc(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)ccc1Oc1ccccc1 1459318531 DSLACYHONBWFCK-UHFFFAOYSA-N 446.406 4.896 30 10 IJEE C#CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOc2ccc(Br)cc21 1459516490 TWHHEFREUOMFHH-HXUWFJFHSA-N 445.313 4.585 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C)C(=O)Nc1ccc(Br)cc1Br 1460486684 GVNAUNVTCMNUMT-BNOWGMLFSA-N 428.168 4.722 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)cc1 1460796492 YQRSCXGILFOSDU-IXFSTUDKSA-N 438.955 4.613 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1463151465 XNHSMUHGKZCHHW-HSZRJFAPSA-N 442.600 4.753 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@H](c2nnc(S)n2C(C)C)C1)c1ccc(F)c(F)c1 1469855569 DYDSHLMNJGOBRW-QAPCUYQASA-N 435.544 4.632 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1ccc(F)c(F)c1 1469857517 UORQAHQYBDDCFZ-RBUKOAKNSA-N 437.531 4.917 30 10 IJEE C=C(C)[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 1472763702 VWUWPHZHVULLGD-INIZCTEOSA-N 436.358 4.896 30 10 IJEE CO[C@H](CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)c1ccc(Cl)cc1 1472965640 GUOWATVVZHPHHF-LJQANCHMSA-N 438.940 4.921 30 10 IJEE C=CCC[C@H](CCC)NC[C@H]1CCCN1Cc1ccc(I)cc1 1474476120 VMTMYLLIMFAHOB-VQTJNVASSA-N 426.386 4.980 30 10 IJEE CCC(CC)(NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccc(Cl)cc1 1474913848 BQFMBFJKSBOCHS-UHFFFAOYSA-N 441.778 4.968 30 10 IJEE C#CCC1(NC(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CCCCC1 1477579779 KBRZHWYHFYQFNN-FQEVSTJZSA-N 431.536 4.610 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1CC)c1ccc(F)cc1 1478760593 OUHKXEVKNWUODS-FCHUYYIVSA-N 439.531 4.628 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCO[C@H]1C(C)C 1507524119 UTHIBKHROUKMEE-QRFRQXIXSA-N 445.405 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC1CCN(Cc2cccs2)CC1 1507535881 JFFZWXUBMJECHY-OAQYLSRUSA-N 447.652 4.609 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ncc(CC)s1 1507565374 DTCBGNKXOHDHKI-UHFFFAOYSA-N 432.597 4.809 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](CC)C1 1507571169 RUKCUGDAYVBJST-KRWDZBQOSA-N 431.378 4.659 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1507591733 RQXMYRWJMMXRET-JOCHJYFZSA-N 434.609 4.838 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCN(CC(C)C)C1 1507608246 HGRHVTVNKPAKRE-KRWDZBQOSA-N 434.415 4.689 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C)C(C)(C)C1 1507748953 NUJAWQKDHXTIBJ-MRXNPFEDSA-N 433.021 4.846 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(C)s1 1507780597 TTXYQCLUUYEQFJ-UHFFFAOYSA-N 438.782 4.908 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507801361 UOCJYJXIUVLQPS-DYESRHJHSA-N 441.938 4.750 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1507824810 IXOZUKXEGDRQSJ-FPOVZHCZSA-N 439.604 4.842 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C1CCC(NC(C)=O)CC1 1507826825 DXOAMTDSMSFKCH-DZIBYMRMSA-N 441.645 4.591 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1507832938 PWYZMCSQJLKVLT-KRWDZBQOSA-N 428.631 4.667 30 10 IJEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1507840882 VCGKBMMPVLRUNH-QFIPXVFZSA-N 435.572 4.617 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1507859830 DBFSVJQOFBCLFS-OKILXGFUSA-N 437.769 4.561 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H](OCC)C(C)C)CC1 1507896581 IGSXVQUKWXQFTC-OAQYLSRUSA-N 427.549 4.707 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1507926977 YUSPITYROSGTQO-QFIPXVFZSA-N 447.505 4.703 30 10 IJEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1507956506 ALOKYRTXHLOKDT-VLSUOOLDSA-N 440.588 4.564 30 10 IJEE C=CCN(C)c1nnc(CCOc2ccccc2)n1CCc1ccc(Br)s1 1507983717 WRGHSESTFSNJSM-UHFFFAOYSA-N 447.402 4.589 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1508001882 ZTQIKXQHCWLOGG-LJQANCHMSA-N 441.620 4.929 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1508013948 TXWHOLVUXAZYPU-HXUWFJFHSA-N 437.588 4.771 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1508047893 RONCHCFZPTVKDG-UHFFFAOYSA-N 440.370 4.996 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)C1CCC(C)CC1 1508108189 IWQXGMUGBVOSNI-UHFFFAOYSA-N 431.584 4.892 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCSC2(C)C)C1 1508117959 SUQVKINDILBFIW-MJGOQNOKSA-N 433.021 4.912 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1508150601 NPCCDBNTAAQUDM-SFHVURJKSA-N 427.574 4.932 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1508152463 YZMUDNACIBEBHM-JOCHJYFZSA-N 438.597 4.906 30 10 IJEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[C@@H]2C)ccc1OC(C)C 1517961834 BDWFRJYTZRIJNW-PDOGEWKWSA-N 441.551 4.619 30 10 IJEE C=CCC1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)CCCC1 1521315739 CLAYQRVRPPXKHR-FQEVSTJZSA-N 434.580 4.953 30 10 IJEE C=CCc1cc(C(=O)OCc2cn(-c3ccc(Cl)cc3Cl)nn2)cc(OC)c1OC 1521542601 ANBIDRWVTNZFKU-UHFFFAOYSA-N 448.306 4.677 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)CCCCC1 1521565934 BPQGKCLZQXKGPY-IBGZPJMESA-N 438.593 4.835 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 1527931496 GEKXOBCLRHVNCJ-DHLKQENFSA-N 438.543 4.739 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCCc3ccccc3Oc3ccc(C)cc3)cc2C1=O 1528490454 SHBAJJWISYUNFC-UHFFFAOYSA-N 440.499 4.542 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)c1ccc(F)c(F)c1 1529492970 VHNAVQAXFJFRFH-JWQCQUIFSA-N 446.497 4.966 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C1CCCCC1)C1CCC1 1529689532 CHWJIGMMVGOBQG-NRFANRHFSA-N 449.389 4.963 30 10 IJEE C#CCN(C(=O)Cc1cccc2ncccc12)[C@@H]1CCOc2ccc(Br)cc21 1531552549 DHJYIQHETMNLRI-OAQYLSRUSA-N 435.321 4.525 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@H](CSc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1533404027 ABNLXJCXDRNGLY-YADARESESA-N 430.614 4.973 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3c(Cl)cc(Cl)cc3Cl)c2C#N)C1 1533852991 GESNHVRLUPTHSW-UHFFFAOYSA-N 428.728 4.737 30 10 IJEE Cc1cc2c(cc1Br)N(C(=O)C1(c3cc(F)cc(C#N)c3)CC1)C[C@H](C)O2 1533945244 HDTJLEBPHUTHQF-ZDUSSCGKSA-N 429.289 4.614 30 10 IJEE C=CCCC[C@H](NC(=O)COc1cccc(I)c1)c1ccccc1 1537033104 YZJLCIZNPNICPX-IBGZPJMESA-N 435.305 4.884 30 10 IJEE C#C[C@@H](C)N(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 1538664283 QUKDGRIROLJRBP-QGZVFWFLSA-N 428.923 4.894 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@@H](C)C1 1539319927 LMSSQEOCGCXRNS-QZTJIDSGSA-N 425.374 4.607 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1539646203 SDLLMUPKGBJOLB-CVDCTZTESA-N 442.629 4.579 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(C)C)C1 1539774999 HRJQHFXQLYFXJE-YJBOKZPZSA-N 425.360 4.685 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1539811617 HCFQAAQQDLFBIW-UHFFFAOYSA-N 443.020 4.776 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](CC)OC)CC1 1539882026 DAZYUPMAMLUGDZ-MRXNPFEDSA-N 437.357 4.674 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1539982531 XTTPUYPJHOYDPN-GOSISDBHSA-N 430.980 4.587 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539988839 HHRWRZBLSGIANG-UHFFFAOYSA-N 441.923 4.511 30 10 IJEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1540004887 HUCGJGZFDDZKBV-JKSUJKDBSA-N 431.378 4.634 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ccoc1 1540029766 YKPPSOHRHAYGNW-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCc1csc(C)n1 1540120564 SSGKDSNJEFFDRO-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@H]1CCCN(C(C)C)C1 1540135881 CHAMSAYZLMAQPB-FQEVSTJZSA-N 425.596 4.998 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CCC1(OC)CCC1 1540158656 NNXUSEMYSIDXML-UHFFFAOYSA-N 449.368 4.984 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@H]1CCO[C@H]1C(=C)C 1540185959 XWLBGBIDHABPEP-XXBNENTESA-N 436.531 4.894 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(CCOC)Cc1ccc(C)o1 1540854491 LAOBTCWYKWTWLG-UHFFFAOYSA-N 449.324 4.587 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC2CCOCC2)C1 1541987544 AWMCMZJJCBTFIL-QHCPKHFHSA-N 427.980 4.935 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Oc2ccc(C)cc2)c1 1543151580 LYTZJJBMVZAWKX-UHFFFAOYSA-N 433.529 4.514 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C 1559315854 KZNZJTJAXODROB-KRWDZBQOSA-N 444.670 4.987 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2ccc(Br)cc2OC)cc1 1559996814 GTCGWMPQSFAJFO-HXUWFJFHSA-N 427.342 4.605 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3oc(N(C)C)nc3c2)cc1OC 1560379626 QNBXZOIAYINNRI-UHFFFAOYSA-N 432.318 4.842 30 10 IJEE C#CCN(C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CCCc2ccccc21 1562344693 XHSRTURXBYXFFB-ISKFKSNPSA-N 446.551 4.532 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F)[C@@H]1CCCc2ccccc21 1562349886 UUWAKRIQBUBETC-LJQANCHMSA-N 428.435 4.619 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OC)cc1Br)c1ccc(Cl)cc1F 1564469592 XETXKTMCDFTHLU-BBATYDOGSA-N 439.712 4.985 30 10 IJEE C#C[C@@H](NC(=O)CCCCC(=O)c1ccc(OC)cc1)c1ccc(Br)cc1 1569673782 NSMUMMJCEJWQQU-HXUWFJFHSA-N 428.326 4.692 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc(N3CCOCC3)c(F)c2)C(C)(C)C)cc1 1585443237 JIWUERKLSHTSDB-UHFFFAOYSA-N 426.532 4.668 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CCc1ccc(Br)s1 1587609485 POGPJFARXVHUFX-ZDUSSCGKSA-N 433.350 4.609 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)C1CCC1 1589503010 BFMGTZVTUWHKKW-LPHOPBHVSA-N 431.378 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1oc2ccc(F)cc2c1C 1589589537 JEPFEUUUEDWQPO-UHFFFAOYSA-N 448.502 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1594226214 HZGSFIBYCIOOMC-UHFFFAOYSA-N 449.599 4.922 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](SC)C(C)(C)C)CC1 1594240922 CCXRQDMYPNVFLQ-SFTDATJTSA-N 442.629 4.971 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)S[C@H](C)C1)c1ccccc1 1594546276 XQKRZISSRDWURO-UGESXGAOSA-N 426.630 4.862 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1594573770 YBIFQUBEQFCVLA-FXAWDEMLSA-N 445.995 4.533 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1 1595099409 ARNNLUMQEIMHGR-HSZRJFAPSA-N 444.608 4.614 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)CN1CCCCC1 1595196196 NLLMLYLXBLTDRA-NRFANRHFSA-N 430.600 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CCN(C)C(=O)OC(C)(C)C 1595196299 OUXCTHLLABKCGA-UHFFFAOYSA-N 431.968 4.644 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CC1CCN(CCC(C)C)CC1 1612263425 GQOCRNQOECUURA-UHFFFAOYSA-N 434.632 4.752 30 10 IJEE COc1cc(/C=C2/S/C(=N/N=C/c3cccs3)N(Cc3ccco3)C2=O)ccc1O 1615301635 UDCGJFJKTMWWLO-AYIQTKRXSA-N 439.518 4.562 30 10 IJEE CCCOc1ccc2c(c1)CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C2 1616455164 CJYLDMKKRLYLMM-UHFFFAOYSA-N 442.563 4.751 30 10 IJEE Cc1cc(C(C)(C)C)cc(C)c1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 1621603083 DPJFDJJYHBQDMI-UHFFFAOYSA-N 449.414 4.756 30 10 IJEE C#CCN(C(=O)c1cc2ccccc2cc1O)[C@@H]1CCOc2ccc(Br)cc21 1633713678 NFILNJMBHMDRPH-HXUWFJFHSA-N 436.305 4.907 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCOc2c(Br)cccc2C1)c1ccc(F)c(F)c1 1634435399 MTPUEXVTKCPDMW-GOSISDBHSA-N 437.284 4.949 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)C(=O)OCC 1635697654 FCHVNUYOHDVMMK-SFHVURJKSA-N 437.471 4.534 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 1638616129 DQYGFMYJNBMUPC-DIFFPNOSSA-N 431.241 4.986 30 10 IJEE C=CCn1c(SCc2ccc(S(C)(=O)=O)o2)nnc1-c1ccc(C(C)(C)C)cc1 1640641366 GYYVATCGEMBRIW-UHFFFAOYSA-N 431.583 4.717 30 10 IJEE C=CCn1c(SCCOc2ccc(/C=C/C(=O)OC)cc2)nnc1-c1ccc(C)cc1 1641019922 YYVDIMTVHOHIAL-NTEUORMPSA-N 435.549 4.797 30 10 IJEE C=CCC[C@H](NCC(=O)N(C)CC(=O)Nc1ccc(C)cc1)c1ccc(C(F)(F)F)cc1 1642443859 MMRLMYLVKSMSEH-NRFANRHFSA-N 447.501 4.708 30 10 IJEE C[C@@H]1CCc2c(sc3nc(CCC(=O)N(C)[C@H](C)c4cccc(C#N)c4)nc(O)c23)C1 1643327836 CPWAXEGYSPRBRK-HUUCEWRRSA-N 434.565 4.546 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H](CO)c2cccc(Cl)c2Cl)c1C 1643732052 GEKWJWUYEFKCAZ-FQEVSTJZSA-N 434.367 4.522 30 10 IJEE CN1C(=O)C[C@H](NCCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 1644543244 BHFQYIZLAYXXSQ-AZGAKELHSA-N 445.513 4.726 30 10 IJEE C#CCN(C(=O)c1cc(-c2c(C)nn(CCCC)c2C)[nH]n1)[C@H]1CCCc2ccccc21 1645390283 VAFWAWHSVUJXNK-DEOSSOPVSA-N 429.568 4.843 30 10 IJEE C=C(C)COc1cc(CN[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)ccc1OC 1651228211 QSPUEXVQIPQFJW-GOSISDBHSA-N 432.483 4.585 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@H](CCNC(=O)OC(C)(C)C)c3ccccc32)cc1 1652653463 RMFWJNMTPARNBD-FQEVSTJZSA-N 434.536 4.748 30 10 IJEE CO[C@@H](CS(=O)(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CCCCC1 1653731794 GUSRLOWKDDQVRM-DEOSSOPVSA-N 444.572 4.625 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(Br)cc(Br)c1OCC 1656162540 DURLYFZCTUHLSK-WBMJQRKESA-N 433.184 4.681 30 10 IJEE COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 1661330378 FJTASYHJZZWUSF-UHFFFAOYSA-N 440.952 4.654 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(C)C)[C@@H](C)c2ccccc2Cl)c1 1661943158 OQVJPIPTNXULSZ-KRWDZBQOSA-N 434.989 4.664 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Br)c1 1662873973 KGOGVYRNSMPSFL-UHFFFAOYSA-N 430.751 4.801 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC1(c2cccc(Cl)c2)CCC1 1665585578 CQOXILBEFLGPHI-UHFFFAOYSA-N 428.863 4.631 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N3CCN(c4ccccc4C#N)CC3)cn2)cc1C 1665997816 GJAPQWRUGUYMEA-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1667099219 PPFFSPJHRPYGKI-KRWDZBQOSA-N 433.430 4.508 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1F 1667154207 GOJLJSUURAKGME-CQSZACIVSA-N 439.668 4.509 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 1667721088 KWMFFGMZAZWHII-DEOSSOPVSA-N 437.547 4.921 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)cc1 1667956861 SHMQEBCVOKEHHX-IBGZPJMESA-N 441.597 4.515 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)CCC1 1668351584 PKLWWMDAUZNAHZ-UHFFFAOYSA-N 436.987 4.730 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1)c1ccc(Br)cc1 1676805841 ZJINTTVPHDXXAT-FOIQADDNSA-N 442.357 4.607 30 10 IJEE C#Cc1ccc(CNC(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 1681270566 ILDVMJGENRWVGY-JOCHJYFZSA-N 433.552 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1(c2ccccc2Br)CCCCC1 1682155596 BBQHFGBGGNOUGU-XLIONFOSSA-N 435.406 4.931 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](CCOC)C1 1689881277 LUBBLXAWRKIEHL-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H](CC)C1 1690223070 CXSQUIKXWVLHSF-MRXNPFEDSA-N 449.393 4.887 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccc(F)c1)N(C)C 1690259538 NAQQKCDZRACUGI-HXUWFJFHSA-N 442.970 4.838 30 10 IJEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1690311319 HPRSTXRDTHJXRS-UHFFFAOYSA-N 440.588 4.585 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690413344 PCVCHMSAXPRAHO-UHFFFAOYSA-N 445.633 4.590 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1690432293 AHMOHGDLXFOQAH-QZTJIDSGSA-N 429.634 4.787 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1690444490 IHPSYNKWHIGSEZ-IBGZPJMESA-N 447.974 4.723 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCc2ccc(Br)cc2C1 1690469009 ARAXQWWLSIYNRU-LJQANCHMSA-N 431.378 4.811 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](CC)O[C@H](C)C1 1690500105 LFUGYZXKMSGQEK-NSHGMRRFSA-N 444.645 4.728 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1690511168 RRRYEVSHOOKQFF-QFIPXVFZSA-N 445.007 4.835 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1690534801 MCUIWDPUVCMEDD-NHCUHLMSSA-N 427.662 4.869 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](c1cccnc1)C(C)C 1690588518 YYQUGNAMBJPGQW-JOCHJYFZSA-N 445.567 4.730 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=C)Cl)C1 1690714787 VBKOZDLRLKACER-INIZCTEOSA-N 425.385 4.758 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1ncc(C)s1 1705481093 ZOPLWPNXCMZVNK-UONOGXRCSA-N 444.402 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@](C)(O)[C@H](C)CC 1705502302 DUGVOXBFDKJSLA-OHUGHZGNSA-N 426.605 4.544 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C(F)(F)F)c1 1705593233 KWKSQZXXARSKOB-UHFFFAOYSA-N 443.860 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)CN1CCCCC1 1705677144 CNDVRGAGQGAHNG-WXVAWEFUSA-N 449.643 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1705694917 UMRDSYKEINFVCT-WTGUMLROSA-N 442.608 4.663 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Cl)s1 1705701305 AIONUNZQPGNHMJ-KXBFYZLASA-N 431.993 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)CN1CCCCC1 1705714748 DTZCXYIPAKCTCQ-OAQYLSRUSA-N 434.632 4.961 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1705722020 PQDXHDUNYIVPJX-QGZVFWFLSA-N 445.995 4.916 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1705726200 XRPDMTPWVSUKFW-RBBKRZOGSA-N 425.596 4.675 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1705733108 ILQKDXAGRXLCPO-UGKGYDQZSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705792850 CZUIDMCMXDXIKG-VQTJNVASSA-N 429.008 4.987 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 1705796763 JXCIILYHLDBFDJ-IFMALSPDSA-N 437.632 4.579 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(OCCOC)CC2)nnc1C(C)(C)C)c1ccccc1 1705798738 ZPRPCXFGTPIHDQ-OAQYLSRUSA-N 426.605 4.567 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cc(C)nn1C 1705798973 HLHXNIBAMZYUTK-UHFFFAOYSA-N 431.588 4.710 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC1(SC)CCOCC1 1705861872 RHOUXBFZNHQCSV-NRFANRHFSA-N 442.629 4.625 30 10 IJEE C[C@@H]1CCCCN1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1708055628 FILJBTLOORILCR-HXUWFJFHSA-N 448.640 4.822 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(OC)CCC(C)CC1 1722281259 UHNHGKHRFXZRFP-RXJRQCNISA-N 431.584 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1cc(C(CC)CC)no1 1722298263 AOHOPYPUWBLDJT-LJQANCHMSA-N 435.572 4.872 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(C)C)CC1 1722308397 MBXIBDLRTMZHIM-UHFFFAOYSA-N 442.007 4.537 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCc2ccc(Br)cc2C1 1722334788 GUCTXWTXLLLCIW-UHFFFAOYSA-N 427.390 4.749 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722520789 LZORAGGDZGZQRB-FQEVSTJZSA-N 437.632 4.508 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(CC)Cc1c[nH]c2ccccc12 1722533547 APLNNCBROXLNLG-UHFFFAOYSA-N 430.556 4.749 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1722547461 ICLQHYQGLYYJPF-UHFFFAOYSA-N 431.968 4.581 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnc(C)s2)CC1 1722574275 JEGGJRHTWRUTOC-HNNXBMFYSA-N 427.549 4.773 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722619282 XNBHZGRVVQADEI-UHFFFAOYSA-N 426.590 4.714 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 1722645412 LYAHWGCJPWNBTN-QZTJIDSGSA-N 445.558 4.822 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1CCCCC1 1722655324 CCDFBECLUOZLJH-UHFFFAOYSA-N 430.556 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1CC[C@H]1COCCO1 1722661433 FMBVQEWXPAZBHZ-NRFANRHFSA-N 438.597 4.567 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1Cc1cc(C)no1 1722662820 NWIVDJCZGMINGR-UHFFFAOYSA-N 435.553 4.764 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCc2csc(C(C)(C)C)n2)C1 1722716688 WDAMFVPCVMMOET-HXUWFJFHSA-N 437.613 4.723 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[C@@H]2CC)C1 1722723188 WJZVYIJDRJEWJK-NNMXDRDESA-N 428.552 4.604 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722742909 KNAMUQUTPKPEIW-QFIPXVFZSA-N 440.657 4.504 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1740584468 LVDBHIJHZGRMNB-QGZVFWFLSA-N 441.004 4.810 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)C1CCCCC1 1740635931 NKHSSCQCTZPQEY-UHFFFAOYSA-N 444.410 4.589 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)CC)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1740767504 VNVXRKKDIZHZSB-GGAORHGYSA-N 425.621 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1740847608 ODTVJQXIDUDAMD-HXUWFJFHSA-N 438.963 4.569 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740903809 MAFJAWUKLWUPHJ-UQBPGWFLSA-N 425.621 4.607 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCN(C(C)C)C1 1740928465 ISYRNEXBXMVHLB-OAQYLSRUSA-N 430.600 4.792 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)C1CC1 1740936275 NRVCNOAMFHSBRO-HSZRJFAPSA-N 426.948 4.588 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC2(CCOCC2)C1 1741006483 JXVJPMDUFSYWSP-WOJBJXKFSA-N 448.677 4.513 30 10 IJEE C[C@@H]1C[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CCO1 1742951267 HNJIEPSSSCYSJX-QWFCFKBJSA-N 441.551 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1Cc1ccnc(OC2CCCCC2)c1 1748677939 NPGMFXOAOLOYMB-OAQYLSRUSA-N 443.595 4.790 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](CCOC)C1 1748702279 AYIQOCZEQYTDOK-GOSISDBHSA-N 445.405 4.682 30 10 IJEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)c1cccs1 1748710471 QSHLRCJXCOIPBQ-MRXNPFEDSA-N 432.553 4.656 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ccsc1 1748876821 UWAOTTNTYGWGTA-UHFFFAOYSA-N 442.544 4.690 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1749023196 QANDKVOTXDDDFA-ROUUACIJSA-N 448.633 4.646 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCc1cccs1 1749124892 QXLDBGWGRUQVCF-GGAORHGYSA-N 447.608 4.928 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC=C(C)CC1 1749140977 WDUGMCRGWPYCBU-CVDCTZTESA-N 440.613 4.717 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1749219990 ZNYOQKONLUFPBP-VQTJNVASSA-N 442.604 4.816 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1)c1ccccc1 1749242370 HEPYWKUUSGQSBW-UHFFFAOYSA-N 449.624 4.884 30 10 IJEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1749261814 AMGGXVJWZLRCCA-MRXNPFEDSA-N 438.732 4.935 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(F)c(F)c2F)CC1 1749345676 QNSOEGXAZGHRAP-UHFFFAOYSA-N 447.530 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(COC)CC1 1749375799 HWBYZJCWPMEBBN-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749390409 DKSGJLZCGZZBPH-LJQANCHMSA-N 429.996 4.697 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cn3ccccc3n2)n1CC(=C)Cl 1749586158 NLFZUGHFVUTPSK-UHFFFAOYSA-N 432.959 4.504 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(Cc1ccco1)C(C)C 1749689651 IOUAJRACLVEING-UHFFFAOYSA-N 431.540 4.905 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cccc(C(F)(F)F)n1 1752606974 GSTDENFRPJQASA-HNNXBMFYSA-N 428.462 4.762 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)N1CCC[C@@H](C)C1 1760110774 HANYYWYKYGZPSH-WOJBJXKFSA-N 446.599 4.569 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCSC1 1760122309 JDZVIFCGQLEDOG-MOPGFXCFSA-N 426.630 4.756 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCOC1 1760141858 JRRHZBYNGCDVPC-OAQYLSRUSA-N 438.616 4.821 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCC[C@@H]1CCCCO1 1760241243 UDPJFLBWBFZWOU-QHCPKHFHSA-N 447.558 4.777 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1760274152 GUIDHSBJLKWUFX-BJLQDIEVSA-N 444.670 4.732 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC[C@@H](OC)C(CC)CC 1760296668 WEKYBLZQKVOEBI-RCZVLFRGSA-N 426.580 4.841 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)OC1CCCC1 1760319335 RZPZYDPMPBQEPP-HRAATJIYSA-N 446.979 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1760338670 OIGZOOPBGGJYKW-XUZZJYLKSA-N 445.007 4.653 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1C(F)(F)C12CCC2 1760339332 DWQVAXRUUYKVJT-HXUWFJFHSA-N 430.543 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1760406569 HLRXGQGLYGLLCG-UHFFFAOYSA-N 448.615 4.612 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](COC)C1)c1ccccc1 1760418062 MEZQXPYZECHNQN-GGAORHGYSA-N 431.584 4.871 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C1CCCCC1)N(C)C)C1CC1 1760475009 QFJMIGJGBAUHCR-HSZRJFAPSA-N 425.596 4.673 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1CC(=C)Br 1760477544 CTSWOSFODGXRGJ-IBGZPJMESA-N 447.377 4.630 30 10 IJEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1ccccc1C 1760572164 UYKVXUUSBJVVTF-NNWRFLSQSA-N 442.629 4.571 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)c1C#N 1860651306 ZNRCSIBAGUCZJA-MRXNPFEDSA-N 444.000 4.990 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-c3ccccc3F)[nH]c2c1 1861428500 XABKXDBXHZYTBD-QGZVFWFLSA-N 438.547 4.964 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 1862417576 USOBKSYFWHPCDH-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432952 QRIIRQRTJTUFDV-NRFANRHFSA-N 438.911 4.562 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2F)cc1 1862477985 WUZRPMXTROWKDA-OAQYLSRUSA-N 429.463 4.667 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2c(F)cccc2Cl)cc1 1862481080 WMBSTGYNNVLLCV-FQEVSTJZSA-N 431.891 4.528 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)c1 1862506988 YGYMIZGTDYCIQM-HSZRJFAPSA-N 446.478 4.706 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOCC)[C@@H]2c2cccc(F)c2)cc1 1862517074 DRWANQNYLHOMFK-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@H]2c2ccc(N(C)C)cc2)cc1 1862520084 ZSVUJOAVZCRYSD-SBUREZEXSA-N 436.552 4.918 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862537586 YYRZVMYZBZXATP-HSZRJFAPSA-N 435.520 4.645 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(C)C)cc1 1862560656 KRAJLJBYXACZEZ-HSZRJFAPSA-N 436.552 4.786 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862596595 IYTNKOAAVUQNDP-QHCPKHFHSA-N 447.462 4.709 30 10 IJEE COc1cc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc(Cl)c1O 1862656436 FKGKXFXRSQVAEL-NRFANRHFSA-N 449.890 4.948 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C(=O)O)c1 1862678558 OGPNGHXEIINXER-JOCHJYFZSA-N 445.446 4.611 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2cccc(O)c2)c1 1862699765 YGPAXZJOHRQADX-XMMPIXPASA-N 443.499 4.530 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863236718 FKDBVGNZGBVMFG-UHFFFAOYSA-N 440.459 4.716 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1cccc(Cl)c1 1864116178 GPQZQPYTBVASCV-IBGZPJMESA-N 445.007 4.807 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CCC)[C@@H]1c1ccco1 1864476818 STUXJRWRLYPTSA-FQEVSTJZSA-N 428.577 4.620 30 10 IJEE CC(C)C[C@H](C(=O)N[C@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Br)c1 1867198899 TWGTWDXYSNVQCA-BEFAXECRSA-N 442.357 4.594 30 10 IJEE CCc1nc(Nc2ccccc2C#N)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868286274 DFYCOOXYYFQOHP-UHFFFAOYSA-N 446.986 4.672 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(C)C 1868848962 OXUUFBPKEHVMHN-WOJBJXKFSA-N 435.406 4.530 30 10 IJEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 1870105867 LNLAYKGWRDNYFP-UHFFFAOYSA-N 431.540 4.602 30 10 IJEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1870107577 OXSZCRTUTPEYGL-SOFGYWHQSA-N 432.698 4.810 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CSCc1ccccc1 1870196868 VCMKCZMRTCAQAW-UHFFFAOYSA-N 434.561 4.794 30 10 IJEE CCCCCCCOc1cn(C[C@@H](C)O)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870251951 YLLXRXBYVQWTDT-GOSISDBHSA-N 443.613 4.888 30 10 IJEE CC(C)OCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(Br)c1)C3=O 1871345418 UAKYTPSGEKWDSZ-JAIQZWGSSA-N 444.325 4.642 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)cc1OC 1871372074 YVGWPNOLSNUUJM-QRVIBDJDSA-N 448.446 4.916 30 10 IJEE Cc1c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871382549 VSPVJMXYTHWHSF-KPFFVQBGSA-N 428.400 4.533 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 1871389025 GNFFUJGXVAHSIC-UUYOSTAYSA-N 432.403 4.977 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)cc(C)c3C2=O)cc1 1871390129 HSDAIIGYTVGHLA-FMCGGJTJSA-N 444.439 4.764 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccccc4)ccc3C2=O)c(OC)c1OC 1871398382 GLHQXIJZOMPOKM-HAHDFKILSA-N 448.471 4.786 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1)S(=O)(=O)c1cccs1 1872236061 SXDLZWXJLQENFV-HXUWFJFHSA-N 446.981 4.958 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cccs1 1872496926 MWCZVOGHVMZXDW-KRWDZBQOSA-N 426.991 4.694 30 10 IJEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873594741 ACBJAAQEJQWAJU-IRXDYDNUSA-N 437.975 4.683 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(OC)cc1 1874236501 MBGAUEHAFBSEIA-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccccc1C 1874344048 UPTBXUFZQYJSPU-ZVHZXABRSA-N 442.972 4.758 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccn1 1874393310 JFVDSIQKIJTJTQ-SCELWYEFSA-N 444.520 4.908 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccco1 1874423334 HPOQYOMPQHKNKE-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2[C@H]2CCCO2)cc1 1874447168 URYUSPREMWCADV-UMFTVLFGSA-N 449.580 4.668 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2-c2ccco2)cc1 1874467367 FOFRFOHNSOKYKH-ZMOGYAJESA-N 442.504 4.670 30 10 IJEE C=CCSc1nnc(COC)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 1874502764 YOVULWHNJVVBCM-BUVRLJJBSA-N 438.553 4.563 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874508189 QIQJDQWQVSPJPH-YDZHTSKRSA-N 428.945 4.830 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccc(F)cc1F 1874513460 ZDXSOBIGWXWURT-OPEKNORGSA-N 443.523 4.910 30 10 IJEE Fc1ccc(COc2ccc(/C=N/n3c(S)nnc3COCc3ccccc3)cc2)cc1 1874562618 HAWFQKMHGHTCHH-VULFUBBASA-N 448.523 4.884 30 10 IJEE CCCOC(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OC 1874626592 MLBQQEAVHNURSA-CSKARUKUSA-N 442.508 4.557 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cc(Cl)c1OCCO 1874634613 LCMVTPIIJRHRCV-AATRIKPKSA-N 425.308 4.976 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c(Br)c2)c1 1875101953 JDZCRIOSTCSESU-CSKARUKUSA-N 438.277 4.968 30 10 IJEE Cc1cc(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c(Br)s1 1879738368 UDVHRNMEWXSMNN-XIKOKIGWSA-N 426.185 4.517 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc(Cl)ccc2Br)c1 1891691119 MMOOKEJTABCNBN-UHFFFAOYSA-N 449.776 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@](C)(O)C[C@H]1CCCCN1C(=O)OC(C)(C)C 1922046211 GOPVLXYFHXAHKN-UMFSSWHCSA-N 446.632 4.668 30 10 IJEE C=C([C@H](NCCC)[C@@H](O)c1cc(Br)c(Br)o1)[Si](C)(C)C 1922926197 IBFWCNVDYCQFQZ-STQMWFEESA-N 425.237 4.640 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1937852389 MTHKYOXNESHBJO-DZGCQCFKSA-N 447.167 4.552 30 10 IJEE C[C@@]1(Nc2ccc(C#N)c(Br)c2)CCCN(C(=O)OCc2ccccc2)C1 1998955724 BOMAHFHMFQVDOU-OAQYLSRUSA-N 428.330 4.924 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](O)Cc2cc(Cl)c(C)c(Br)c2)C1 2077090772 WSJPLVABJDSTSJ-MRXNPFEDSA-N 430.770 4.928 30 10 IJEE N#C[C@H](C(=O)c1ccccc1I)c1ccc(Br)cc1F 2146604559 PCPALGQYMNWGAJ-LBPRGKRZSA-N 444.041 4.683 30 10 IJEE N#C[C@@H](C(=O)c1cccc(I)c1)c1ccc(Br)cc1F 2146604585 QVHCISFLYGYCTE-CYBMUJFWSA-N 444.041 4.683 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3Nc1cc(Br)cc(F)c1C#N 2169560301 OARXZTCBAKTKTM-DXXZFSPRSA-N 436.325 4.516 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)[C@@](C)(C2CC2)C1 2174811763 BZGPQTSJJVGYOR-HXUWFJFHSA-N 438.341 4.686 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@](C)(CNC(=O)OC(C)(C)C)C(F)(F)F)NC 2212102900 IRDMEVXXHOFQIR-RXVVDRJESA-N 430.511 4.831 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]12CC[C@@H](CN1C(=O)OC(C)(C)C)C2 2235729724 NLKHEUJICDFKQO-PERKRYKHSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#CC1CCCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251421012 ZGKVTKYDGFAQMS-DNQXCXABSA-N 427.633 4.574 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(Br)cc1Cl 2252870620 ODHAAJWDUQGDDU-GFCCVEGCSA-N 436.133 4.611 30 10 IJEE C=CCCC1([C@@H](O)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2272715747 PCVOHTNMZPHYFC-INIZCTEOSA-N 432.305 4.964 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1c(F)cccc1Br)C2 2273833057 GZRJQUMMUZAXBI-KBPBESRZSA-N 426.326 4.878 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)c(Br)c2)[C@@H](C(F)(F)F)C1 2281040204 ICALHAZLKJXTRQ-SWLSCSKDSA-N 448.283 4.745 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C 2296223156 ZHAROWBFEIQYTP-OXQOHEQNSA-N 445.348 4.717 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)C(F)(F)CN(C)C(=O)OC(C)(C)C 2296233406 XMDHJWRZJAFOAS-KRWDZBQOSA-N 445.348 4.671 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2296275874 BKAZWINHRGVSIU-XUVXKRRUSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1C[C@@H]1[C@H](C)NC(=O)OC(C)(C)C 2296311418 WVZWKEDCVNGVFV-YGWPLHOASA-N 435.406 4.718 30 10 IJEE CCCCOc1ccc(C=C2SC(=Nc3ccc(NC(C)=O)cc3)NC2=O)cc1OC 2314557121 OBVAYKUUMUFBGZ-UHFFFAOYSA-N 439.537 4.724 30 10 IJEE C[C@H](CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)CNC(=O)OC(C)(C)C 2317357343 WRFCMVIFHMVGHM-QGZVFWFLSA-N 432.370 4.656 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(Cc3nc5ccccc5[nH]3)CO4)C2=O)c1 2322192780 QISSGZQIXQGYGS-UHFFFAOYSA-N 439.471 4.540 30 10 IJEE COc1ccc(C=CC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 2325513276 FFDQBWLJGUJYOE-UHFFFAOYSA-N 447.331 4.962 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2325623559 HJIBVUPJHRCROR-UHFFFAOYSA-N 425.514 4.848 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(F)c2)C3=O)cc1 2325705024 GZBCPIRPZRSOPI-UHFFFAOYSA-N 433.435 4.858 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(OC(C)=O)cc3)c2)cc1 2325718344 CGUYWDOOHDSTCH-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE CCCOc1ccc(C=CC(=O)NC2CCC(OC(=O)c3cccc(C#N)c3)CC2)cc1 2325808840 IAJGUXBKIOWUCG-UHFFFAOYSA-N 432.520 4.645 30 10 IJEE CSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1[N+](=O)[O-] 2325907014 FCXGDSYXRYDUJV-UHFFFAOYSA-N 438.296 4.676 30 10 IJEE COc1ccc(C=Nn2c(CCCOc3ccccc3Cl)nnc2SC)c(OC)c1 2326037449 DANPYLSESYFXKL-UHFFFAOYSA-N 446.960 4.564 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2N=Cc2cccc3ccccc23)cc1C 2328801629 SEQYRELRJOGIMB-UHFFFAOYSA-N 446.576 4.984 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(O)c(OCC)c1 2328858407 XOYVAOYXLSQRSB-UHFFFAOYSA-N 440.569 4.963 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1cccc(OC)c1OC 2329740586 WJNSJQKDRLIQTN-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C2CCCC2)cc1 2331033120 LMEPFTOFYFOVRG-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1ccc(OCC)cc1 2331337152 CPAMEZNEVWHTDB-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339585901 WCZNXHRQPKLZBK-YSSXYYCGSA-N 443.397 4.974 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NC)c2cc(Br)cc(OC3CC3)c2)C1 2362763390 PNVVVMCWBGRONT-SFHVURJKSA-N 437.378 4.864 30 10 IJEE Cc1cc(CN2[C@H]3CCC[C@@H]2CN(Cc2ccccc2)C3)cc(B2OC(C)(C)C(C)(C)O2)c1 2369740061 SMUPIYICBVHRLO-WMPKNSHKSA-N 446.444 4.533 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)CC(C)(C)C2 13319799 OQPONTFTZQZSGR-QHCPKHFHSA-N 431.536 4.641 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)nc1-c1ccccc1 14671452 WZFFMIURQQQCSM-UHFFFAOYSA-N 446.488 4.803 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@H]2c1ccccc1O 17098062 GJDBEBFXAOFUKK-NRFANRHFSA-N 432.549 4.934 30 10 IJEE Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 20327848 YTHAIRYGJLQYGL-OAQYLSRUSA-N 447.520 4.809 30 10 IJEE Cc1cccc(CSc2nc3n(n2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N3)c1 20327901 OGLLIQUEHJGRJX-OAQYLSRUSA-N 447.520 4.809 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2cccc(F)c2)c1C 32971698 NWGPHQHHORGOEE-UHFFFAOYSA-N 427.911 4.710 30 10 IJEE C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 33436791 YMRWHIHSZNIISF-WQRHYEAKSA-N 429.339 4.835 30 10 IJEE Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2 41513910 HVCVBXKZXVVXOJ-UQQQWYQISA-N 440.543 4.731 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(OC)cc3)nc21 103010406 IQBVYNBAAZIAID-SFHVURJKSA-N 429.586 4.911 30 10 IJEE CC1=CC(=O)/C(=C2\C[C@H](c3ccc(Br)cc3)Nc3ccccc3N2)C(=O)O1 103249661 COIPLQLDXBSOQY-KDDVOAFDSA-N 425.282 4.702 30 10 IJEE O=C1/C(=C\Nc2ccccc2F)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 105337138 AXHMQSGBZIRESD-WOJGMQOQSA-N 432.473 4.513 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 169961168 DDYZZSCPXNUHES-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccc(O)cc2)cc1C 169962209 PTAPHQVLYXYLOQ-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccncc1 170018026 CEAOASREOOOZKX-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccncc1 170022327 NDTDZSCOXBPCPK-NRFANRHFSA-N 448.862 4.555 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2)c1 170036348 FWWQZIPQHRSHON-JOCHJYFZSA-N 444.443 4.776 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccco2)cc1 170094982 AZEXUYZWGVLZQB-OAQYLSRUSA-N 448.431 4.758 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccc(O)cc1 170133654 MITWAVYDZPGONG-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1cccc(C)c1 170144207 HQUFYUFOUFYIIW-QHCPKHFHSA-N 442.515 4.794 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2cccnc2)c1 170144555 VTLGEWSCGJYSNE-XMMPIXPASA-N 442.515 4.956 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@@H]2c2cccnc2)cc1 170185983 QITHTNWYWAMFBS-HSZRJFAPSA-N 428.488 4.826 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCC2)c1 170218717 MBMULQJUFHFDEH-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2)ccc1OC(C)C 170222496 SKHHRSYZJURAJK-HSZRJFAPSA-N 437.536 4.786 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccc(C)o2)cc1 170301571 RQKRUXVKGAJQLW-OAQYLSRUSA-N 437.423 4.527 30 10 IJEE C=CCn1c(C(=O)NCCCn2nc(C)c3ccccc32)cc2oc(Br)cc21 223721981 JTDDQDLWLGZNSM-UHFFFAOYSA-N 441.329 4.661 30 10 IJEE C=CCOc1ccc(CN[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 237362096 HNIJUDADABUOCU-VWLOTQADSA-N 437.561 4.543 30 10 IJEE N#Cc1cc(Cl)nc(Nc2ccc(I)cc2Br)c1 302456718 WJLBKQPWAWHXEY-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE N#Cc1cc(Br)ccc1N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 480105391 NAIMKBKEFMQPSX-OAHLLOKOSA-N 442.361 4.557 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@]2(C1)OCc1ccccc12 508843037 ASSPOQCPGWACCJ-QFIPXVFZSA-N 426.442 4.786 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508988633 VSIJGQKMRKFKKH-OAHLLOKOSA-N 429.977 4.942 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 509010817 LBMLJTJEHSXFHL-OYDLWJJNSA-N 432.543 4.917 30 10 IJEE C=CCN(C(=O)c1csc(Cc2ccc(C)cc2)n1)c1nc(C(=O)OCC)cs1 512782681 IUUMVQPHNJYAMZ-UHFFFAOYSA-N 427.551 4.508 30 10 IJEE CCOc1cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)cc2)ccc1OC 526485640 GARKNZPQZDWXKW-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE N#Cc1ccccc1NC1=C(SCc2ccco2)C(=O)N(c2ccc(Cl)cc2)C1=O 526667163 LPQHVNLYIWKIGE-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE O=C(O)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 526803810 ORQXXUSIYLMMLW-YSMPRRRNSA-N 446.507 4.881 30 10 IJEE CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c1 535685023 CRSJNNZTFUZKCT-UHFFFAOYSA-N 436.508 4.646 30 10 IJEE C=CCOc1c(Br)cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OCC 539926657 ATMOHIVUBBNTJB-VQIMIIECSA-N 434.378 4.692 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 549248382 PGAKSURGQVSRHE-FGZHOGPDSA-N 436.943 4.762 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCCO2)cc1 579500323 DKVRRDATXDDWQY-DENIHFKCSA-N 425.577 4.535 30 10 IJEE N#Cc1ccc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c(F)c1 609234641 ACFQSDQVYJXPAR-NRFANRHFSA-N 438.846 4.729 30 10 IJEE CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3cc(Cl)ccc3OCC#N)C2=O)cc1 735231399 VLKZKLOOOAHLEJ-HSZRJFAPSA-N 425.916 4.507 30 10 IJEE Cc1ccc(C(=O)CCCC(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 766276718 XBENNKIUHCYUHE-KRWDZBQOSA-N 433.533 4.814 30 10 IJEE C=CC[C@]1(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)CCCN1C(=O)OC(C)(C)C 791714687 ANKZOQJPGAUJCX-WAIKUNEKSA-N 427.501 4.687 30 10 IJEE COc1cccc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccc(C(C)(C)C)cc2)n1 811722580 LGXBNRVQNYZHLO-UHFFFAOYSA-O 438.548 4.865 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCOc1ccc2ccccc2c1 914890708 CPGZKGCXNFXFDY-UHFFFAOYSA-N 448.422 4.545 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1cc(F)ccc1F 916981375 PNWNBGSBIPXZCW-GOSISDBHSA-N 437.899 4.800 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)Oc3cccc(OCC#N)c3)c2)cc1 1129661864 FIKQWDAWOZCKDB-UHFFFAOYSA-N 429.472 4.909 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C(C)C 1144197972 QGNXUPMOTYJECN-LJQANCHMSA-N 426.582 4.615 30 10 IJEE C[C@H](Sc1ccccc1Cl)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1156560006 FAPSFORGCBHHOR-HNAYVOBHSA-N 434.392 4.883 30 10 IJEE C=CCn1c(SCCOC2CCSCC2)nc2sc3c(c2c1=O)CCCCC3 1187972629 VOFFSJWJUALNMO-UHFFFAOYSA-N 436.668 4.917 30 10 IJEE C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(C(F)(F)F)cc1 1189297912 FOJKIRXLFTUITE-LLVKDONJSA-N 436.377 4.678 30 10 IJEE CC[C@](C)(COc1ncccc1Cl)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 1192334003 FRXHHDLFVUYAJP-JOCHJYFZSA-N 449.382 4.781 30 10 IJEE C=CCN(C(=O)CN1CC[C@H](OCC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1198355216 YIKLKTVVGBFYHP-HNNXBMFYSA-N 440.396 4.747 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H](CC(=O)OCC)c2ccc(Br)cc2)c1 1198957005 IZJHPMVOFMGVFT-IBGZPJMESA-N 447.329 4.830 30 10 IJEE C#CCN(C(=O)Nc1cc(F)ccc1OC)[C@H]1CCOc2ccc(Br)cc21 1202132620 SJCYTYLZPHBKAH-KRWDZBQOSA-N 433.277 4.588 30 10 IJEE C=CCOc1ccc(CNCc2cc(Cl)cc(I)c2)cc1OC 1202913019 ASGLTBWTPUCHCZ-UHFFFAOYSA-N 443.712 4.808 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(Cc3cc(C)ccc3OC)CC2)cc1OC 1205224950 QZCOCZXCGGPYOM-UHFFFAOYSA-N 430.976 4.548 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(OC(C)C)c2ccccc12 1208724101 VHPCQJRRLVMJKD-UHFFFAOYSA-N 440.517 4.944 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCC2(c3cccc(OC)c3)CCCC2)cc1C#N 1216075167 FOXYFGNFALUEMK-UHFFFAOYSA-N 436.512 4.769 30 10 IJEE CC(C)Cc1ccc([C@@H](NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C2CC2)cc1 1221633690 HTNVMKSSSVVRRT-RUZDIDTESA-N 434.559 4.879 30 10 IJEE C=CCc1cc(CNC(=O)Cc2ccc(Cl)cc2Br)cc(OC)c1OC 1264831432 YSIOKXAMZZPQAG-UHFFFAOYSA-N 438.749 4.707 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)nnc1-c1ccco1 1277016862 KDQDFAATJAUVAW-ROUUACIJSA-N 428.602 4.881 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](OCC)C1 1286337961 ZPRWPDYNIHBLEL-HSZRJFAPSA-N 431.584 4.771 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(CCOC)CCCC1 1286360940 KWCLRFMOYSFESR-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286363315 QFJYSLPWNSYQMV-IZZQQSIFSA-N 435.597 4.650 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCSC(CC)(CC)C1 1286544861 OFJKXCSPFBXKRL-UHFFFAOYSA-N 441.464 4.951 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC 1286555534 YGJNHVVGIRWBCL-KBXCAEBGSA-N 437.357 4.674 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1286591204 DVLLSSKHQQLYQC-SFHVURJKSA-N 448.571 4.515 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)c2nc(C)cs2)CC1 1286647491 HXIFUZVOGNPSBZ-HNNXBMFYSA-N 429.540 4.872 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cnn(CC(C)C)c2C)CC1 1286648110 BZTLNQKKQNUGKE-UHFFFAOYSA-N 448.615 4.785 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)c2nccs2)CC1 1286658899 BWFLQPMETUQVTJ-HNNXBMFYSA-N 429.540 4.810 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286691244 XHUBDYVMXBPUCX-UHFFFAOYSA-N 429.012 4.742 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C(C)C)CC1 1286704475 VSKSXDMJOIJMDF-UHFFFAOYSA-N 425.621 4.786 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CCCC2)C1 1286715073 ZTSFSBUMSXDMHF-UHFFFAOYSA-N 430.980 4.874 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1286737906 RXUHOLGSDSZGIP-UHFFFAOYSA-N 427.593 4.658 30 10 IJEE C=C1CCC(CNC(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)CC1 1288664448 FFVQLQISOGCURM-UHFFFAOYSA-N 443.267 4.525 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)N2CCCCC2)cc1 1289860565 CNYZDZNFLXJDLY-HXUWFJFHSA-N 440.661 4.739 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCSC1 1300602038 NOUHLHFGNMBQAS-QZTJIDSGSA-N 433.021 4.901 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](OC)C(C)(C)C1 1300743199 IWACZZZRNAMFKA-HXUWFJFHSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)OC 1300788673 IEKGTTUWMXIVFE-AREMUKBSSA-N 431.584 4.770 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 1301002956 BGPRHAGALOZYDE-SFHVURJKSA-N 449.624 4.965 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCCCN2CC)CC1 1301075814 QWZAZETYXSAKKX-IBGZPJMESA-N 429.996 4.638 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1nncn1C 1301159570 BJZJOLJDTMNRNT-NRFANRHFSA-N 449.603 4.546 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC=C(Br)C1 1301231373 IXYVZOXCCQSUBK-UHFFFAOYSA-N 437.769 4.966 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CC1(C)CCOCC1 1301405672 IPZGUXFURVEIIE-UHFFFAOYSA-N 441.963 4.638 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 1301793086 YMDXANKGKHJLIO-UHFFFAOYSA-N 428.279 4.873 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccco1 1306318142 FDQPCEHMPKMUQH-UGKGYDQZSA-N 432.572 4.872 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCC2(C)C)C[C@H](C)O1 1306449515 IDGIEDURQVUBIY-SESVDKBCSA-N 437.588 4.559 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 1306891928 WYBGIKMRUWMFQP-UHFFFAOYSA-N 434.989 4.541 30 10 IJEE CCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1Br 1307417421 CUUZPQXOEJSQOV-MRXNPFEDSA-N 435.387 4.568 30 10 IJEE C=CCC1(O)CCN(CC(=O)N(Cc2ccccc2)c2nc3c(C)c(C)ccc3s2)CC1 1308088260 FSHRWZAPNPJECW-UHFFFAOYSA-N 449.620 4.849 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC=C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1310857922 GFGBOPZTXXOXDX-LJQANCHMSA-N 427.298 4.962 30 10 IJEE C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1310923687 GQIDMSQMQUDYMO-JTQLQIEISA-N 445.379 4.743 30 10 IJEE C=CCN(C(=O)Cc1c(C)cc(C#N)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350510808 XXBZQIXMVDKKSE-UHFFFAOYSA-N 432.505 4.969 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)c1 1352429341 JOSAGNAIHFTILT-XMMPIXPASA-N 428.557 4.943 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2ccc(C)cc2C)c(C(=O)OCC)c1C 1357806367 SMZIYMMTSNLWHJ-UHFFFAOYSA-N 447.578 4.924 30 10 IJEE Cc1cccc(C2(CNC(=O)COc3cccc(Br)c3C#N)CCCC2)c1 1357877290 HASFBZGPNYAERZ-UHFFFAOYSA-N 427.342 4.636 30 10 IJEE C=C(C)CCC(=O)Nc1ccccc1NC(=O)c1ccccc1I 1358248093 QJUBBMVCIYNQOC-UHFFFAOYSA-N 434.277 4.838 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccsc1 1358918014 IJHBVGKUCCCPCA-IBGZPJMESA-N 443.617 4.852 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1358920767 HPSZOOKQMRAQNX-FCHUYYIVSA-N 447.558 4.815 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1358944585 ZIRVDOXORGUCKJ-IAGOWNOFSA-N 436.478 4.715 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCCOC(C)C 1359067116 BASABKOBRPCAQD-OAQYLSRUSA-N 449.368 4.654 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359103391 NOGHYJZEUJJWBK-JROBLHLSSA-N 444.570 4.772 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCO[C@H]2CCCC[C@H]2C)CC1 1359165971 AVYQANIXAWUDDK-GCJKJVERSA-N 430.543 4.899 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2nnc(C)s2)CC1 1359180174 VEECUWKGLICWAC-UHFFFAOYSA-N 443.020 4.717 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](OC)C1 1359184225 HYSGZNZVJWSMNW-INIZCTEOSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 1359185086 KULPPPYBZHZCCA-AWEZNQCLSA-N 436.387 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359186303 ANYOWPGPKANWSJ-UHFFFAOYSA-N 433.556 4.522 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359198396 PVALACXTSZAQQW-GGAORHGYSA-N 438.616 4.951 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359212450 MBULODWSHFBIHY-KRWDZBQOSA-N 444.505 4.532 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1359214734 LBJLLWUBQGANEG-CYBMUJFWSA-N 426.405 4.807 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1359219558 VAWIOJZNQSCCLT-NRFANRHFSA-N 425.621 4.786 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCC2)CC1 1359223850 XSJHLRNCVNQCNM-UHFFFAOYSA-N 437.632 4.510 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCSC(C)(C)C1)C(C)C 1359265978 QCMUIHIGSLIIRL-QFIPXVFZSA-N 439.673 4.976 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccccc2F)n1Cc1cc(C(C)(C)C)no1 1359274471 OOTXLMBUUIPDIU-UHFFFAOYSA-N 425.508 4.508 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1359284884 SUYRAGKXPUIZLB-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE CCc1cccc(NC(=O)CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 1434927934 FZMBSNSNUGXKSP-UHFFFAOYSA-N 433.895 4.935 30 10 IJEE Cc1cc(C(=O)OCc2cc(Br)cc(C#N)c2)ccc1NC(=O)CC(C)C 1436077868 GAUWTILQHKEDPM-UHFFFAOYSA-N 429.314 4.971 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2=CCCC2)ccc1Cl 1437862176 BHWWJFMQMSGGIF-UHFFFAOYSA-N 430.957 4.561 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 1445633044 TXOZAZMQAIGXMG-FQEVSTJZSA-N 433.508 4.664 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 1448870761 URUQZNUYKHDBKY-LJQANCHMSA-N 431.964 4.887 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)C1 1452996038 AOZDKKIGZNCICV-JOCHJYFZSA-N 440.609 4.704 30 10 IJEE CCO[C@@H]1C[C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC 1459983237 CEOSPQPSWGVMAV-DHIUTWEWSA-N 436.600 4.537 30 10 IJEE C=CCOc1c(Br)cc(CNC2(c3ccc4c(c3)OCCO4)CC2)cc1OC 1461783001 OUPVPCBOZLNRDT-UHFFFAOYSA-N 446.341 4.573 30 10 IJEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1462972455 BMWZTJNIOJVBIU-UHFFFAOYSA-N 439.352 4.687 30 10 IJEE C=CCNC(=O)c1csc([C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)n1 1463655855 MDMJZEBGFBTQCZ-OAHLLOKOSA-N 433.533 4.659 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c(Cl)c1 1472191758 LDAPRQIQXTZJJG-UHFFFAOYSA-N 438.936 4.991 30 10 IJEE C#CCN(C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@H]1CCCc2ccccc21 1473825668 BUKWBIIIGDKDHU-UPVQGACJSA-N 438.612 4.805 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(-c2ccc(F)cc2F)nn1C)c1ccc(Br)cc1 1476531855 YUGAKKNTJCVNNS-QGZVFWFLSA-N 445.267 4.624 30 10 IJEE CCC(CC)[C@@H](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1)OC 1496613916 FKWZVRHLFQOJKK-RCZVLFRGSA-N 441.595 4.979 30 10 IJEE COc1ccccc1[C@@H](Cn1c(CC(C)C)nnc1N1CCC[C@](C)(C#N)C1)OC(C)C 1504367335 ATDSWGLLRQMKSQ-RCZVLFRGSA-N 439.604 4.782 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1cc(Br)cs1 1507524827 DNMQELWPGXAKGZ-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1507577412 QLLRTBSJQBLQKJ-LJQANCHMSA-N 443.979 4.505 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC1(OC)CCC1 1507648194 IEQCCEHTCJWLCY-UHFFFAOYSA-N 448.567 4.845 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1507659514 AKORHZRTIBSUAJ-ILBGXUMGSA-N 445.655 4.793 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCOc2ccccc21 1507699148 BZSIITYQLRNKDZ-XKCSPQBFSA-N 436.600 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507802364 BMZXEZYUDACUKA-KBPBESRZSA-N 440.432 4.704 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC1CCCCC1 1507806576 SOZXSJGQXDKWDZ-DENIHFKCSA-N 429.634 4.632 30 10 IJEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)C1CCCCC1 1507845821 QKKQRXBVDLIHJS-WMZHIEFXSA-N 440.588 4.788 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(F)cn2)CC1 1507880816 JYMFZJNWGLNDFI-MRXNPFEDSA-N 427.911 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C)C1 1507910886 GBKCDNHLQGHNQU-INIZCTEOSA-N 433.394 4.843 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1507926976 YUSPITYROSGTQO-JOCHJYFZSA-N 447.505 4.703 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1507945012 ZHDFDDDSZKAFAE-LAUBAEHRSA-N 438.551 4.771 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@@H]1CC 1507954590 ODOSGIYTLUDDRW-QUCCMNQESA-N 431.625 4.984 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1C 1507958326 BBQJELLTXKOSHC-UHFFFAOYSA-N 436.604 4.514 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCCCC2)CC1 1507959724 SDBMYELCGXOKHY-UHFFFAOYSA-N 437.632 4.555 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C 1508014971 ZDUISZQECMVAPF-TUNNFDKTSA-N 431.694 4.965 30 10 IJEE CCC1(Cn2c(-c3cccn3C)nnc2N(CCOC)Cc2ccc(C#N)cc2)CCCC1 1513609764 ADEDHPXTXBPAIW-UHFFFAOYSA-N 446.599 4.779 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CCCOc2ccc(F)cc2)s1 1519792012 WOTRWMZATFHTCD-UHFFFAOYSA-N 428.982 4.905 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cc2cccc(I)c2)C(F)(F)F)cc1 1525856296 MDDAAAKBZOOQAL-QGZVFWFLSA-N 444.190 4.662 30 10 IJEE C#C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(Cl)cc1F 1528523772 PWKAMBTUDJLKJB-OAHLLOKOSA-N 431.088 4.765 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C(C)(C)C)cc1 1529499134 CIBDNWLKTCLMCK-QHCPKHFHSA-N 434.580 4.931 30 10 IJEE C/C(=C\C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccc(C(F)(F)F)cc1 1534193145 HMPMHJFTCMWLPO-NTCAYCPXSA-N 429.442 4.882 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)c1ccccc1 1534343672 BZJRRJJFLADHKG-IBGZPJMESA-N 432.611 4.606 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1oc2c(C)cc(Br)cc2c1C)C(=O)OCC 1535091724 RCZAOWOIYSAXEO-AWEZNQCLSA-N 428.710 4.616 30 10 IJEE COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O[C@H]2CCC[C@@H](C#N)C2)cc1OC 1535478664 GGRLBYUAZJDVCL-CTNGQTDRSA-N 445.519 4.855 30 10 IJEE Cc1nc(C)c(CCC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c(O)n1 1537445062 DWJMICOPBMAWFL-UHFFFAOYSA-N 439.331 4.660 30 10 IJEE C=CC[C@H]1N(C(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)CCCC1(C)C 1538658332 YBNJZULSUHKIIW-AUSIDOKSSA-N 440.609 4.933 30 10 IJEE C#Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(Cl)c1 1538769622 IZPZDMNUEMNRNC-LDADJPATSA-N 444.940 4.690 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCc1nc(C)cs1 1538976693 OOTQFIZYWWCDPB-HXUWFJFHSA-N 433.625 4.994 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(F)F)C1 1539060032 MSWLSZSVGQSCJR-HNNXBMFYSA-N 437.332 4.993 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)c1ccccc1F 1539158828 MEXUDGNVUKCCDL-UHFFFAOYSA-N 447.377 4.955 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CC1(O)CCCCCC1 1539391907 JNYCAOPTLXEXHX-UHFFFAOYSA-N 438.591 4.875 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](SC)C1 1539634767 CWQCQVSLHSBUTP-RRPUWOKSSA-N 444.620 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(F)c(Cl)c1 1539674522 YNYGBWLYZIMHMM-UHFFFAOYSA-N 438.938 4.760 30 10 IJEE C=C(Cl)Cn1c(N(CC)[C@@H](C)C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539820066 KXGFNZCEVFOHCR-RYQLBKOJSA-N 438.016 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H]1CCOC1 1539910072 UAAIJXAHAQYKRG-HNNXBMFYSA-N 437.357 4.674 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(CC)CCOCC1 1540058854 YKOBLALWAVSPMR-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1Cc1cccnc1OCC(F)(F)F 1540141620 CAYUFJSLEBIGQF-UHFFFAOYSA-N 449.502 4.794 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1ccc(F)cc1C 1540146522 GLDIEQNNEFOKEA-IBGZPJMESA-N 426.561 4.726 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C)C(C)(C)C1)C(C)C 1540152579 XSPNDFZUASWHQT-DNVJHFABSA-N 443.680 4.743 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2csc(C)c2)C1 1540884183 LRKZCDMDJIIKCL-IEBWSBKVSA-N 442.560 4.757 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)c1nccs1 1540922316 KPJKYFXPOGPNBL-RCCFBDPRSA-N 449.690 4.812 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(Cc2ccccc2C)CC1 1541093573 KYCNRTANFVRXGZ-UHFFFAOYSA-N 432.486 4.973 30 10 IJEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](c1ccco1)N1CCCCC1 1541427874 CUSCFPLEDUIHPD-HSZRJFAPSA-N 446.599 4.805 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(-c4ccc(F)cc4)cc3)cc2C1=O 1544823263 YJPXIZKTSALZDL-MRXNPFEDSA-N 428.463 4.766 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)c1ccco1)N(C)C 1545807155 BOFHRXIHAJRBEN-PGRDOPGGSA-N 434.588 4.974 30 10 IJEE Cc1nc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)sc1SCC#N 1546286494 HJZHEKICUAAKMQ-INIZCTEOSA-N 444.582 4.540 30 10 IJEE C#CCCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1556492088 RXDCPXORYGOVTM-SANMLTNESA-N 438.527 4.796 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)nnc1-c1ccc(OC)cc1 1559059499 PTQHDMFZFPRLHE-UHFFFAOYSA-N 434.424 4.801 30 10 IJEE C=CCn1c(SC[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)nc2ccccc21 1559316702 XUFGBGDFWRIURL-HXOBKFHXSA-N 429.586 4.731 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)CCOCC1 1562252348 CBMDQUMWLYDENF-UHFFFAOYSA-N 427.932 4.863 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(Br)c(F)cc2C)cc(OC)c1OC 1562730897 XNYDNRAFNBGQQZ-UHFFFAOYSA-N 437.309 4.964 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC(CCc1ccccc1)CCc1ccccc1 1564343088 LDWSNTQGZIUWND-UHFFFAOYSA-N 434.580 4.607 30 10 IJEE C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1C(F)(F)F 1564373971 HWRPQZICNMBYTQ-MSOLQXFVSA-N 446.517 4.842 30 10 IJEE C#CCN(C(=O)CCC(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 1569238884 GYKPZAFWMPQOAC-UHFFFAOYSA-N 430.548 4.708 30 10 IJEE C#Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)cc1 1569258092 RASDBISOQDIAIJ-UHFFFAOYSA-N 445.375 4.662 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1583695726 NAFYEUJTXKBACE-HXUWFJFHSA-N 431.985 4.730 30 10 IJEE C=CC1(CC(=O)N(CCC)[C@H]2C[C@@H](OCC)C23CCCC3)CN(C(=O)OC(C)(C)C)C1 1586443675 CVTCDRVMPNOTJX-VQTJNVASSA-N 434.621 4.776 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)C[C@@H]2CC)c1 1587142076 SLGPBSAGADZKFU-PXNSSMCTSA-N 447.000 4.982 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1587718246 AEBOPQWTUUSSBE-UHFFFAOYSA-N 449.643 4.741 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2)C1 1589427762 XACRMGXIPBDWTM-KRWDZBQOSA-N 444.402 4.536 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(CC)C(C)C 1589580319 NOYPUDRLISQDMV-AVRDEDQJSA-N 430.618 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)c1ccccn1 1589625630 KDDRXGSVGFBUMR-UHFFFAOYSA-N 435.572 4.738 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1589652437 VHPXVKPSGDIJCJ-GJZGRUSLSA-N 439.482 4.702 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1589669448 VNZWXEBEHCOYPM-RUZDIDTESA-N 444.627 4.812 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](OC)C1)c1ccccc1 1594552931 UGPTXEKCYTXWBS-SSGKUCQKSA-N 438.616 4.782 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1594633815 FQACQLWASCAVHI-FQEVSTJZSA-N 435.576 4.511 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]2CCC[C@@H]21 1594793022 DSLNXDYQTAWUNF-PXNSSMCTSA-N 430.980 4.969 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N1CCCC1 1595243556 ADBMQIFAZLRFCH-OAQYLSRUSA-N 437.588 4.834 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CC1CCOCC1 1595243829 GTVSKPWCWDBTKZ-UHFFFAOYSA-N 426.948 4.853 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1CC1(C)CCOCC1 1595260652 KIDADVKHWRBCBZ-UHFFFAOYSA-N 426.586 4.575 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC=CCC2)C1 1595745512 SDIFHWOKNPLZST-WIYYLYMNSA-N 428.964 4.648 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 1595808202 NOSOJLMCBZCXBV-OAHLLOKOSA-N 430.335 4.555 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1Cc1nc(C2CC2)cs1 1606951306 BCMQAWSNSGMZQD-UHFFFAOYSA-N 445.596 4.965 30 10 IJEE Cc1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c(N2CCCC2)n1 1611370275 DYJQIOFEUIANBL-UHFFFAOYSA-N 426.520 4.893 30 10 IJEE C[C@H]1[C@H](C)CCC[C@H]1n1c(SCC(=O)Nc2ccc(C#N)cc2)nc2ccccc2c1=O 1613181236 GLJVTAPRYLWDKS-HYFFOGBASA-N 446.576 4.996 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12)C(C)C 1615883936 JYZYIJDCRKNCMW-JOCHJYFZSA-N 436.556 4.836 30 10 IJEE C#CCN(C(=O)[C@H](C)c1ccc(I)cc1)[C@@H]1CCCc2ccccc21 1617567199 UJBSCAYFBUFOHH-IIBYNOLFSA-N 443.328 4.934 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1618808232 XRVQDGDOIVFGGP-HSALFYBXSA-N 436.980 4.615 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(NC(=O)N(C)C)c2)cc1OC 1620940445 ULJKOTUYMFOSSV-UHFFFAOYSA-N 434.334 4.728 30 10 IJEE Cc1c(S(=O)(=O)N[C@@H](CN2CCCCC2)c2ccccc2)sc2ccc(C#N)cc12 1622028959 HVNQQMHQKOUSLA-NRFANRHFSA-N 439.606 4.587 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 1623402993 UVHADEKDXYOALO-DOMZBBRYSA-N 436.858 4.798 30 10 IJEE N#Cc1cc(NC(=O)NCc2ccc(N3CCCCCC3)nc2)ccc1OC(F)(F)F 1624210356 FRIRGNWWIQVOQL-UHFFFAOYSA-N 433.434 4.554 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)C(=O)OCC 1624251995 OOEKWNBQMYOHES-QFIPXVFZSA-N 438.911 4.715 30 10 IJEE C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)Nc2scc(C(C)(C)C)c2C#N)C1=O 1625091263 CHPZVNOEOBXRIC-IFXJQAMLSA-N 442.560 4.930 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1 1625197202 PJOJOFSPYFDIEI-DEOSSOPVSA-N 440.609 4.997 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c(Br)nc3n2CCCC3)cc1 1629940533 GNIXCWQKUDDXFY-GOSISDBHSA-N 435.325 4.890 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 1630469490 YJIJYNXRACAWCP-OAQYLSRUSA-N 434.540 4.745 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1 1635621867 FBWCRMSXSLHEHG-FQEVSTJZSA-N 431.577 4.601 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1637048201 XNLVGWDYVAGWQK-FNZWTVRRSA-N 442.559 4.874 30 10 IJEE C#CCN(C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)[C@H]1CCCc2ccccc21 1639113817 PKSOXMBEBDTDGG-VRUMLPLGSA-N 437.584 4.641 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(C)o2)c1 1640800224 IQFIPDBDTPQVFA-UHFFFAOYSA-N 445.928 4.578 30 10 IJEE C=CCCC[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)c1ccccc1 1643661010 IDDQCUNHGXEAIV-NRFANRHFSA-N 435.549 4.857 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc([C@@H](F)C(F)(F)F)cc3)ccc2c1=O 1644439248 YTHDLYCQYWJCPX-MRXNPFEDSA-N 437.418 4.696 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cc1OC 1647743106 LYNNWKUUESENEQ-HOZJINIOSA-N 429.944 4.801 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(N3CCO[C@H](C)C3)cc2)cc1OC 1650703742 KWVOXJFESVHURJ-MRXNPFEDSA-N 447.373 4.860 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1nc2ccccc2nc1F 1651333119 XMOURVYMPFOBKV-UHFFFAOYSA-N 427.892 4.930 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)cc(C)c1)CCCC3 1652417724 BLBVKZVGHKJAEC-IBGZPJMESA-N 426.607 4.972 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 1653127553 UWSRAROCQLAJIX-XPNTWCBSSA-N 434.536 4.674 30 10 IJEE C=CCn1c(O)nnc1SCc1cc(Br)c(Cl)c(Br)c1 1656378291 LPNPFIJEDJWNDU-UHFFFAOYSA-N 439.560 4.640 30 10 IJEE C=C(C)COc1cc(CNCc2cnn(-c3ccc(Br)cc3)c2)ccc1OC 1657262824 WYCRDQMZUKPDDM-UHFFFAOYSA-N 442.357 4.888 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1 1657415020 AMKXXPOUISRXPJ-SFTDATJTSA-N 439.003 4.662 30 10 IJEE CN(Cc1noc(C2CC2)n1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1658958076 CDGLEEGBQWYQNZ-UHFFFAOYSA-N 437.887 4.715 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(Cl)s2)c1 1659248710 QDASXJCQZWMBHF-UHFFFAOYSA-N 434.922 4.965 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)cc1OC 1659390843 VWAJOXBUILUURS-IBGZPJMESA-N 432.992 4.528 30 10 IJEE C#CCN1CCC(NC(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)CC1 1660709966 VTCWWOTURMIBEY-UHFFFAOYSA-N 436.987 4.512 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)c1 1661908599 QPUCGYNRLFQJLB-UHFFFAOYSA-N 446.937 4.995 30 10 IJEE C#CCN(C(=O)Nc1ccc(-c2nccs2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1665307139 PLJUPXAJKVNNPX-UHFFFAOYSA-N 440.569 4.677 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3COc4cc(F)ccc4C3)c2)cc1 1668014022 HPQXCBBRPRZWNX-QFIPXVFZSA-N 431.467 4.596 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)c(F)cc1F)c1ccc(Br)cc1 1670809039 JZBKHGLGOBGGEQ-AWEZNQCLSA-N 444.073 4.986 30 10 IJEE C#CCN(C(=O)NCCOc1cccc(Br)c1)[C@@H]1CCCc2ccccc21 1675701917 XXTAJEUWSDUQPS-OAQYLSRUSA-N 427.342 4.550 30 10 IJEE CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 1675716292 FHKIFOHGNDWXSZ-LJQANCHMSA-N 434.931 4.660 30 10 IJEE C#CCOc1ccccc1CNC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC 1676068586 KVMBHNBGFHHNKZ-NRFANRHFSA-N 447.501 4.600 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCc1nc2ccccc2[nH]1 1678351672 SKTDHIJBHWKMDN-UHFFFAOYSA-N 429.318 4.645 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1OCCCN(C)C1CCCC1)c1ccc(F)cc1 1679883961 KKCCYKHSEZRLBH-DEOSSOPVSA-N 437.559 4.643 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccccc1 1680810310 VVWZKJZNNHETBT-OALUTQOASA-N 437.531 4.885 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(I)c(C)c1 1681951649 DWOOKDBZNCXZRL-UHFFFAOYSA-N 434.321 4.888 30 10 IJEE CN(CCc1cccc2ccccc12)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1683702467 FIIXKYIXQFYNLM-UHFFFAOYSA-N 426.564 4.560 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC1(CCOCC)CCC1 1690062221 HKZFFFQWNDJIIX-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1C 1690096434 SRMGDNUZZFZVRW-LJQANCHMSA-N 448.636 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@]1(C)CCO[C@H]1C1CC1 1690271200 HWFGUWTZDSQOGS-UPVQGACJSA-N 428.552 4.604 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1690274750 CGCGTCNRBJXGMC-DHIUTWEWSA-N 437.632 4.923 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C1CCC1 1690319605 SHIHZHKVRPBXRO-UHFFFAOYSA-N 425.360 4.745 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1690328083 DXIWILOILAILNC-OAHLLOKOSA-N 426.005 4.627 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCC1CCOCC1 1690334122 DXRKNTFPHSTACK-UHFFFAOYSA-N 445.814 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1690439915 SJJSVQTVCZZDRP-SANMLTNESA-N 438.616 4.917 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690451404 FXJGDORSTQLSEF-XZOQPEGZSA-N 435.616 4.768 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1690461045 SSMKYRUBXWTNPT-HSZRJFAPSA-N 430.600 4.716 30 10 IJEE COC1(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)CCC1 1697223805 HXYZZVYZLZDYHZ-UHFFFAOYSA-N 437.588 4.563 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1705527290 UNMAFWWEGMVOMQ-HXUWFJFHSA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C(C)C)CC1 1705532051 FDXZBRZSBBVVIM-UHFFFAOYSA-N 443.636 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705696693 ICMCLEJRWDKGNW-NZGUISNBSA-N 446.542 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1ccccc1OCC(F)(F)F 1705718256 FWPAFSGKDDDICQ-UHFFFAOYSA-N 445.489 4.656 30 10 IJEE C=C1CCN(c2nnc(C(C)(C)C)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705761289 HGSWYWPSZALFSL-LJQANCHMSA-N 431.625 4.912 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](F)COC)CC1 1705764615 GEWBOSXSGGFJNM-CQSZACIVSA-N 443.748 4.502 30 10 IJEE C=C1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1705770029 NRHNWJJNJGYVQY-UHFFFAOYSA-N 445.901 4.723 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1705770976 BACMWEZPVLPBME-XMMPIXPASA-N 438.597 4.600 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1705791129 OOUZERBVYRPMBA-QFIPXVFZSA-N 449.599 4.524 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1705803431 QJDXPVFEUARZPW-GOSISDBHSA-N 443.567 4.934 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(O)CCC 1705871707 URWLYWFOWCLODZ-FQEVSTJZSA-N 437.357 4.576 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC(NC(C)C)CC2)cc1 1705911070 XNGSCJGDQPEAQT-UHFFFAOYSA-N 437.632 4.591 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCOC(C)(C)C)C1 1705916625 QIKFCKDIAYZNPO-YLJYHZDGSA-N 448.995 4.668 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1C 1705950086 RCIHSQOYGKYOTK-SQNIBIBYSA-N 435.638 4.504 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc3c(n2)CCCC3)c1 1707119143 FFBJFCIAJNMZJF-FQEVSTJZSA-N 444.583 4.534 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1CCOCC1 1722277489 IOCWDHAFKFZOJQ-KRWDZBQOSA-N 435.597 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccccc1F 1722278872 FXMRYBKUVMHXLE-ZDUSSCGKSA-N 433.350 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCC1(C)C 1722303548 PJWUOTZCFDPZEO-OTWHNJEPSA-N 429.609 4.634 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)c1nccs1 1722325461 KBTBWOBAYPLGMX-OAHLLOKOSA-N 444.402 4.817 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(OCC)CCCC1 1722414988 HBTWLRUKYWLKSR-UHFFFAOYSA-N 438.616 4.963 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722582545 LPVFZTDMWQLTHR-QFIPXVFZSA-N 439.604 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCc2c(ccnc2N(C)C)C1 1722586849 CKMQVMZWZWVAJZ-UHFFFAOYSA-N 446.599 4.580 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2sccc2[C@@H]1CC 1722598462 IDHSZVVOWUVMEN-SFHVURJKSA-N 436.585 4.857 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1722599963 IDRXNCHAJBHJDJ-DEOSSOPVSA-N 437.975 4.534 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722609179 AEOJTJRQFYSLJK-ROUUACIJSA-N 448.976 4.694 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722612237 SAFPACFSEZXPAC-UHFFFAOYSA-N 448.571 4.517 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC1CCOCC1 1722612852 XUGPHBJNAYZUHO-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1Cc1c(CC)noc1C 1722656622 GANDVYGRZQMHKN-UHFFFAOYSA-N 432.572 4.838 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCO[C@@H](C)C1 1722674202 PBTTWEXYXWSVSK-VXKWHMMOSA-N 434.584 4.821 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H](C)CC)n1Cc1nnc(C(C)(C)C)s1 1722675047 IYBCQAGCTUDIML-INIZCTEOSA-N 428.606 4.817 30 10 IJEE Cc1cccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c1 1724526271 AKNLMYMEFBNLSJ-DRLORSAXSA-N 435.616 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(COC)CCCCC1 1740559991 ZJGMGLNNRAHWIC-HXUWFJFHSA-N 426.630 4.934 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCCCCC[C@H]21 1740721552 MHUKAENZDAUPSU-FYYLOGMGSA-N 438.641 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CC1(CCOCC)CCC1 1740734412 DBMWWGSZLFXWHS-XMMPIXPASA-N 440.563 4.585 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN(C)C(C)C)CC1 1740833654 VIULWOCQZREKQE-SFHVURJKSA-N 432.012 4.814 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCC)c(OC)c2)CC1 1740837535 NODHHIMRXBJXBM-UHFFFAOYSA-N 433.556 4.588 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1C1(c2ccccc2)CCC1 1740852007 HICOVUMJIUDTBB-JOCHJYFZSA-N 449.643 4.845 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)c1ccccc1 1740854129 LKTTYDSQSQOIGP-UDTDCDGKSA-N 438.616 4.924 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(Cl)s1 1740857543 QFHJFAAWKXTKMI-UHFFFAOYSA-N 430.965 4.633 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740869625 SVLJAKLSVYHEIW-UHFFFAOYSA-N 430.478 4.709 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1740872140 ZETAFSIRHBIICA-LIRRHRJNSA-N 449.368 4.817 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC(F)(F)F)CC1CC1 1740874421 BMHVAAAJUBFGGC-UHFFFAOYSA-N 446.477 4.729 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccco1 1740887127 CSBUYGHYQOHEPC-FQEVSTJZSA-N 428.483 4.674 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 1740978776 CCQZYTHMICKITG-FHWLQOOXSA-N 449.521 4.799 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CC2CCC(C(F)(F)F)CC2)C1 1741983431 BJLHWGGBMUQIAJ-BPZDKFOGSA-N 432.494 4.839 30 10 IJEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CCO1 1744242431 CDSNRMGRSZAZMD-DENIHFKCSA-N 429.515 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)CCC 1748639135 BYHXNMVXDXWHDL-YZZKKUAISA-N 432.996 4.697 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1748726328 DWDUZBUHRZHPHT-NRFANRHFSA-N 448.640 4.800 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC2(CCCCCC2)C1 1748734405 GCBDVGJJFARGMP-UHFFFAOYSA-N 444.526 4.890 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1748757912 OXEKYVYIYVQHKB-JOCHJYFZSA-N 447.652 4.812 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1749083466 HBRFKRAIIKXWTQ-CYBMUJFWSA-N 434.338 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNC(=O)c1ccco1 1749146582 IDTPTNIZTWAVLI-UHFFFAOYSA-N 435.572 4.668 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccs1)N(C)C 1749148653 ARQCFSDZSCLCBK-KRWDZBQOSA-N 431.009 4.760 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN(C(C)C)C(C)C)CC1 1749343883 UJEUADNTUYOKFH-UHFFFAOYSA-N 427.612 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC)[C@H](C)C1 1749355938 SVOCGSPAIZOIOF-QGZVFWFLSA-N 433.547 4.679 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749402819 SRFCJUVUFDDBJJ-PMACEKPBSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1749438026 OZTLOGWAUZZFRL-PXNSSMCTSA-N 439.362 4.983 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1Cc1ccnc(OCC(F)(F)F)c1)C1CC1 1749525639 QJSSSDSNALANSG-UHFFFAOYSA-N 435.494 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccccc1CN1CCCCC1 1760294746 FNOOZPXRRDUYRE-HHHXNRCGSA-N 433.644 4.893 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)c(F)c1 1760324524 KJEPTJXEXGFROD-GCJKJVERSA-N 444.551 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC(F)F 1760326903 ZELYYIQEKOCEDE-QRWLVFNGSA-N 440.922 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCOc1ccccc1Cl 1760339529 LSFIVMCLHZWANG-UHFFFAOYSA-N 431.993 4.769 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760342120 UFHPDHVQUYIAKE-JOCHJYFZSA-N 446.599 4.516 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccs2)CC1 1760354387 YQNSLULNDLWTRF-UHFFFAOYSA-N 444.004 4.579 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1csc(-c2ccco2)n1 1760466768 HRQJPZVEWQPNEN-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1760477507 CCAVEIQFRYSJKE-JOCHJYFZSA-N 439.648 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCn1ccnn1 1760491210 XOQXHTVIZRFNHZ-UHFFFAOYSA-N 439.976 4.673 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCSC[C@@H]2C)cc1 1760529752 GDSOPEYWVNLHIE-INIZCTEOSA-N 441.988 4.548 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccsc2)C1 1760539040 JBTYUMMSTDVAQX-IBGZPJMESA-N 446.523 4.632 30 10 IJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H](CCOc1ccccc1)C(=O)N1CCC(C=O)CC1 1860623034 SFYUYGCYWRYMSP-KMRPREKFSA-N 429.601 4.739 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1C#N 1860666274 KSLXTOUGRKKZLP-MRXNPFEDSA-N 434.565 4.889 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1ccc(N2CCCCC2)cc1 1860731407 OJGKZMYLOUZKTA-VZUCSPMQSA-N 431.305 4.800 30 10 IJEE CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(C)cc1 1861095498 NANYYYRHWZXPOU-XPGGBCAFSA-N 436.596 4.918 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 1861960007 DKEJLLACZIJXGL-JOCHJYFZSA-N 443.012 4.501 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862384652 XEPMCHKSPHRXBH-KRWDZBQOSA-N 433.247 4.666 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862436420 SHLLAYNJCNVPJB-IBGZPJMESA-N 428.872 4.873 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(F)cc2F)cc1OC 1862572939 PRJCLZVAGSHYQA-OAQYLSRUSA-N 445.462 4.606 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)c(O)c2)cc1 1862664153 WWYSARXXZABFQF-JOCHJYFZSA-N 433.460 4.593 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)c1 1862699712 WXYMYRDALSNODP-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 1862736640 LQQCDKRZFINQBF-AOMKIAJQSA-N 428.444 4.934 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2c[nH]c3ccccc23)C1=O 1863496479 ZGLYSVOCDUTEQP-UHFFFAOYSA-N 436.309 4.617 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(C[C@H]2CCCO2)C1=O 1863640874 NPKNMLKDHDIPCP-LJQANCHMSA-N 430.564 4.815 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccccc2OC)C1=O 1863765039 HIXKHEGFLMWZMR-UHFFFAOYSA-N 430.589 4.540 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1sccc1C 1864510160 NXMIYVHJGILLEY-GOSISDBHSA-N 430.618 4.524 30 10 IJEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2c1 1865907222 LGRGBITXPCPNHF-KPKJPENVSA-N 441.578 4.536 30 10 IJEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(OC(F)(F)F)cc2)cc1=O 1870810512 GQQJSSCCKOZTQL-UHFFFAOYSA-N 430.426 4.972 30 10 IJEE C=CCOc1cn(CCCOCCCC)c(CNc2cccc(Br)c2)cc1=O 1870810779 RBFJJJUWXMHOIS-UHFFFAOYSA-N 449.389 4.995 30 10 IJEE CCCCCCCCN=c1nc2c(cnn2C)c(Nc2ccc(C(=O)OC(C)C)cc2)[nH]1 1871295587 UFBSVLMUKILNIH-UHFFFAOYSA-N 438.576 4.866 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccc(F)c1)C3=O)CN(CCOc1ccccc1)CO2 1871352383 FKDNEDIZDMWWCR-QRVIBDJDSA-N 431.463 4.981 30 10 IJEE Cc1cc(OC(=O)COc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871364181 KMANEPJHIHZYLQ-MTJSOVHGSA-N 431.400 4.504 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)cc(C)c4c3O/C(=C\c3ccco3)C4=O)CC2)c1C 1871397853 TXOYJSULNVIYTM-IWIPYMOSSA-N 444.531 4.849 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)cc1 1871412702 ZMBMLVHLFDNFAZ-SGMWPGOQSA-N 445.471 4.726 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCCC(=O)OCCC(C)C)ccc3C2=O)c1OC 1871429733 WAKYGBBYILZVTH-HMAPJEAMSA-N 440.492 4.678 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCCN4CCCC4)c3C)C1=O)cn2C 1871444537 IMGNPAROXNKYBG-OYKKKHCWSA-N 432.520 4.586 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872089385 NSRSTLVUJVOLLD-QFIPXVFZSA-N 432.561 4.762 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872247275 OSGJUZOHXATOJV-LAUBAEHRSA-N 434.989 4.879 30 10 IJEE CC(=O)c1sc([C@H](C#N)C(=O)CSc2nc3ccccc3n2-c2ccccc2)nc1C 1872727947 ICLNPGQFKDVJHK-QGZVFWFLSA-N 446.557 4.962 30 10 IJEE COc1cccc(-c2csc([C@@H](C#N)C(=O)CCCCCNC(=O)c3ccccc3)n2)c1 1872762248 HFMCSRVBMJAIIP-NRFANRHFSA-N 447.560 4.985 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1cccc(-c2nc(-c3ccccc3)no2)c1 1873430670 VINCZWVAOMXKKH-UHFFFAOYSA-N 427.460 4.986 30 10 IJEE C=CCNC(=O)c1c(NC(=O)CCCOc2c(C)cccc2C)sc2c1CCCC2 1873443201 ZBUBWNLHUJEXDX-UHFFFAOYSA-N 426.582 4.957 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC(=C)C)n1/N=C/c1cccc(O)c1 1874226975 NHGUYYQOVDIJMH-ZVHZXABRSA-N 436.537 4.678 30 10 IJEE C=C(C)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(O)cc1O 1874269805 OYLIXUHCNFIEGI-AFUMVMLFSA-N 430.533 4.984 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(OC)c(O)c1 1874270379 SVPKKIQROJWMTD-PCLIKHOPSA-N 430.533 4.897 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874305961 YBOBKAUTYRJEHP-OEAKJJBVSA-N 437.525 4.531 30 10 IJEE COc1ccc(CCc2nnc(SCCCO)n2/N=C/c2cccc3ccccc23)cc1 1874307534 BYIHAUJMCWDERR-NLRVBDNBSA-N 446.576 4.582 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 1874413370 QGSCQFJWCUTBLH-LFVJCYFKSA-N 448.573 4.846 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCC(=O)NCc2ccccc2)cc1 1874441216 NJHBZBKFASNWBS-WPWMEQJKSA-N 449.624 4.720 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2F)nnc1C(F)(F)F 1874461638 YDJWFNWUSNPXQM-LIMNOBDPSA-N 430.814 4.970 30 10 IJEE CCOc1cc(/C=N/n2c(COC)nnc2SCC)ccc1OCc1ccc(C)cc1 1874501163 TVNUUXHXRJHWHJ-ZVHZXABRSA-N 440.569 4.705 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2COc2ccc(C)cc2C(C)(C)C)c1OC 1874568978 ANHAUGHEAIYCRE-ZMOGYAJESA-N 440.569 4.651 30 10 IJEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1)c1ccccc1 1874622590 KWEZGAXDWFGTJT-FUNAXGEOSA-N 429.472 4.568 30 10 IJEE COc1ccc(CC(=O)Oc2cc(/C=C/C(=O)c3cccc(OC)c3)ccc2OC)cc1 1874694432 CGAAXKCWUPVBFI-UKTHLTGXSA-N 432.472 4.757 30 10 IJEE Cc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 1875088195 PXVWGPRIPCZCMY-PKNBQFBNSA-N 446.415 4.856 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccco2)c(Br)c1)c1ccc2c(c1)OCO2 1875149747 FRJWENBZOGRDOH-ZZXKWVIFSA-N 441.233 4.886 30 10 IJEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(NCCCCCCCC)ncnc21 1875230050 MTGDTHXARKKYHQ-KDURUIRLSA-N 427.593 4.639 30 10 IJEE COc1ccccc1OCC#CCNC(=O)c1sc(-c2ccccc2Cl)nc1C 1891394660 AASBWQWMGHRMHN-UHFFFAOYSA-N 426.925 4.593 30 10 IJEE CCCCc1ccc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)cc1 1891475841 DIDSMXZJLOBMSL-RPWUZVMVSA-N 435.593 4.933 30 10 IJEE Cc1cccc(Oc2ccc(S(=O)(=O)N3CC=C(c4cncc(C#N)c4)CC3)cc2)c1 1891792181 WLARMAUTROOIEW-UHFFFAOYSA-N 431.517 4.532 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 1997658445 DBCBJQVXIKFKNO-VXKWHMMOSA-N 432.605 4.542 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(F)(F)F 2007710575 VSCYHUDQMPAJPS-CNNODRBYSA-N 442.522 4.783 30 10 IJEE C=CCOc1ccc(C=CC(=O)Nc2cccc(-c3noc(C(F)F)n3)c2)cc1OC 2054614747 FFJSGGDFBIBYMD-UHFFFAOYSA-N 427.407 4.900 30 10 IJEE C[C@@H]1[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CCC[C@]1(C#N)NC1CC1 2055575523 YSZVVLVRBDHJTE-XTBZXYEFSA-N 430.640 4.824 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Cl)ccc(Br)c1F 2058348584 CFNGZSQVPKPWDF-CZUORRHYSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2nc(C(C)(C)C)ccc2C#N)C1 2071970366 CCHWJRZJBZHNFS-UHFFFAOYSA-N 436.556 4.808 30 10 IJEE CCc1ccc([C@@H](C(C)C)n2nc(C3CC3)c(/C=N/O)c2I)cc1 2079080226 GPYPTOHQNRPWGT-PGNNWUFWSA-N 437.325 4.981 30 10 IJEE Fc1cccc(-c2c(C(F)(F)F)nn(C(F)(F)F)c2I)c1F 2080788102 VUJNTWIPYJKDQN-UHFFFAOYSA-N 442.047 4.928 30 10 IJEE CC[C@H](C)[C@H]1CSC(=Nc2ccc(I)cc2Br)N1 2081320264 WMIFHTOGRVSSME-QPUJVOFHSA-N 439.160 4.792 30 10 IJEE N#Cc1ccnc(CNc2cc(Br)c(Br)c(Br)c2)c1 2095448540 WSOJKZPXRIKRAV-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2145542236 USJHLPUUMPWOBJ-CABCVRRESA-N 441.414 4.643 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 2159126358 UIOKDAIWVUHVDN-UXHICEINSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@@](C)(C2CC2)C1 2174810481 MZHPDQBECPIAOD-HXUWFJFHSA-N 438.341 4.686 30 10 IJEE Cc1cc(Br)c(C(=O)N2CCC(C)(C#N)CC2)cc1NC(=O)OC(C)(C)C 2181048649 SVANVLWDPUHQGH-UHFFFAOYSA-N 436.350 4.870 30 10 IJEE CC[C@]1(C)CCSC(=Nc2ccc(Br)cc2I)N1 2223679636 RWSUTDRYIHIRQP-CYBMUJFWSA-N 439.160 4.936 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C(=O)C#Cc3ccccc3Br)C[C@@H]21 2235734117 VZVAUSHYJAMXCE-LNLFQRSKSA-N 432.358 4.795 30 10 IJEE COc1cccc(C#C[C@@H](N)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)c1 2237742483 UQHYIEMLDPNAIN-GOSISDBHSA-N 431.330 4.856 30 10 IJEE N#Cc1ccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 2243910983 NDDICIHHGVUGAZ-UHFFFAOYSA-N 443.478 4.955 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255705537 WTHMCEAWYMUTRX-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE CCN(Cc1ccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 2267581183 OCGHFZBWJIVRMN-RBUKOAKNSA-N 444.381 4.864 30 10 IJEE C#CCN1C(=O)SC(=Cc2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C1=O 2293983638 NODQKKZMUOKNDC-UHFFFAOYSA-N 449.919 4.603 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccccc1[C@@H](O)C#Cc1cccc(Br)c1 2296215613 BUWTZCUHPUOOBN-FQEVSTJZSA-N 430.342 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](N)(C#Cc1ccc(Br)cc1)C2 2296228283 XOECPYHTBQXQKW-QFIPXVFZSA-N 433.390 4.699 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C1(CC)CC(NC(=O)OC(C)(C)C)C1 2296230009 OZJBBGBRBYKYOH-LVIWNVNYSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@@H](O)C#Cc2ccc(Br)cc2)cc1 2296275859 BGJHKXBBRLDAJF-FQEVSTJZSA-N 430.342 4.601 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@H](N)C#Cc1ccc(Br)cc1 2296302771 NUZRELADRLFMGE-KNQAVFIVSA-N 429.358 4.568 30 10 IJEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317356403 IVUKCKCQLKCHAH-KRWDZBQOSA-N 432.370 4.751 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)C=Cc3cccc(F)c3)C2)c1C#N 2318789304 MWBHDYFCSURAGO-KRWDZBQOSA-N 439.556 4.947 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=Cc1sccc1C)C3=O 2322122810 FGXRWCXWOLLCIQ-UHFFFAOYSA-N 426.582 4.947 30 10 IJEE CCCNC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(OC)ccc1OC 2322659834 SXXOUPMLVVZKON-UHFFFAOYSA-N 433.504 4.658 30 10 IJEE Cc1cc(OC(=O)c2cccnc2)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2322807611 MUIXIZIXWHFAKT-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE Cc1c(OC(=O)c2ccncc2)ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O 2322828469 IJOHMLONMOOXHW-UHFFFAOYSA-N 449.846 4.745 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2cccc(OC)c2)cc1OCC 2323496203 OAGZKUCIDWBKGU-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1Br)C2=O 2325743353 YMRKIZJNBBWIKP-UHFFFAOYSA-N 444.325 4.621 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2327383553 WFBKZHNZBCQLSV-UHFFFAOYSA-N 437.525 4.878 30 10 IJEE OCCSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(C(F)(F)F)cc1 2329618105 HOSMJSHSPMCEDD-UHFFFAOYSA-N 426.851 4.584 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C2CCCC2)cc1 2331080148 FMOAVAZCPZCBDG-UHFFFAOYSA-N 425.602 4.667 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2)c(C)c1 2331159754 LRRZUFGSVUUAOA-UHFFFAOYSA-N 433.459 4.527 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@@H]3CCCO3)c(OC)c2)cc1 2331187205 HUQJFJSAQFPETP-FQEVSTJZSA-N 430.884 4.728 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1 2331196921 IGQFWWNJSHSALF-NRFANRHFSA-N 445.309 4.828 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2ccccc2[N+](=O)[O-])cc1 2331500531 SUWZTNULRGKWRZ-UHFFFAOYSA-N 438.469 4.537 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)c(OC)c1 2331717447 QQQBAASMFOFZSS-UHFFFAOYSA-N 442.508 4.959 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)c(OCC)c1 2331735522 XZSZPRASWLRATN-UHFFFAOYSA-N 439.464 4.994 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2339539383 GZEDJITUAOGPKP-FHWLQOOXSA-N 441.381 4.536 30 10 IJEE C[C@@H]1C[C@@H]1N(CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339599991 JSPXYHXAEZMSSE-CYYVBXFOSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339605506 FKCJSENCDHRIJT-ROUUACIJSA-N 444.381 4.797 30 10 IJEE CC(C)=C(CN1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2340334088 KVSHDDLVJBUDCA-FVEXOFTDSA-N 436.449 4.797 30 10 IJEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2359701613 RJJNSOATISHQGJ-YZVAWVHESA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C(=O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360196613 UCWSSCBNPPLWHH-GBESFXJTSA-N 432.358 4.795 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2360197449 MSCNSYGWYJRVIM-HQRMLTQVSA-N 435.406 4.814 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN(CC)CC)cc1 35486160 HNQWNIXLACIEIQ-XMMPIXPASA-N 446.547 4.553 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(C[C@H]3CCCO3)CO4)C2=O)c2ccccc21 41662144 WJWQMCRJLNTNPH-HUTJOEHLSA-N 430.504 4.608 30 10 IJEE Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 102725239 BRGWQASFFUQOAL-CFRMEGHHSA-N 445.496 4.871 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 103096758 RYHHPLZCCNJREB-AGGMBTAESA-N 432.407 4.669 30 10 IJEE CCN1C(=S)N[C@H](c2cccc(OC)c2OCc2ccc(F)cc2)C2=C1CCCC2=O 169933125 VGRFANVSJIJSIA-JOCHJYFZSA-N 440.540 4.672 30 10 IJEE COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccc(C(C)(C)C)cc1 169939142 OTCZBHZEYYNNFY-QHCPKHFHSA-N 438.593 4.954 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)cc1 169954219 VQNWZJNEOUGKGJ-XMMPIXPASA-N 442.515 4.853 30 10 IJEE CC(C)Oc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)c1 169981585 AWUVMXGTRGJQIG-XMMPIXPASA-N 447.531 4.930 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2cccnc2)c1 170000466 VNYITLIJBXHVLQ-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1cn(C)c2ccccc12 170086000 NDUPBRQQJCYMMR-QHCPKHFHSA-N 448.494 4.847 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2Cc2ccco2)cc1 170114411 KONKZMIBWZVSQC-XMMPIXPASA-N 443.499 4.946 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(C)c2)ccc1Cl 170144132 TVHITAXOSZIODD-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE CC(C)(C)Oc1ccccc1CN1CC(=O)C(c2nc(-c3ccc(F)cc3)cs2)=C1N 170179477 KPFYPHDMUZPLOH-UHFFFAOYSA-N 437.540 4.839 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccnc1)c1ccc2c(c1)CCCO2 170188646 IDFDATCZPZTAIS-QFIPXVFZSA-N 446.890 4.843 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1C 170230198 GFAOHRKOGSSULJ-NFBKMPQASA-N 435.520 4.541 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2F)cc1C 170247629 ZCIJFGYHFCGAPX-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccc(O)c2)c(C)c1 170258029 VXEDGAMGDYYZKR-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccco2)cc1 170285189 JTXWZOAITVNVFX-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(F)cc2F)o1 170305843 HVIXJMPCSYIOHV-IBGZPJMESA-N 440.358 4.557 30 10 IJEE CC(C)COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccn2)c1 170419847 CNPOBJJQKFSZET-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccncc1 170421838 PYFZTPBXDFQBFK-OAQYLSRUSA-N 436.870 4.695 30 10 IJEE COC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2C)cc1 170424319 GQWDPKGXDXZEPS-OAQYLSRUSA-N 447.512 4.622 30 10 IJEE Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(C(=O)OCC(C)C)cc2)c1 170460875 WCKZXWAZCFJCBV-QFIPXVFZSA-N 435.520 4.933 30 10 IJEE N#Cc1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1 469760486 KRVKVWMURWKAAJ-AWEZNQCLSA-N 434.361 4.871 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 475561609 ZJICEEZQQGQGFO-NRFANRHFSA-N 449.595 4.991 30 10 IJEE C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 507681623 DTYCRTUULIZBQJ-IERDGZPVSA-N 430.533 4.620 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 508854511 DBEZHWLPCXRMDG-HSZRJFAPSA-N 443.595 4.713 30 10 IJEE O=C(O)c1ccccc1/C=N\n1c(Cc2ccccc2)nnc1SCc1ccccc1F 526803721 JUOAWDDSFNRMBP-YSMPRRRNSA-N 446.507 4.881 30 10 IJEE COc1ccc(Br)cc1/C=N\n1cnnc1SCc1cccc(Cl)c1 526812539 ZTCXOCREPIMEME-NKVSQWTQSA-N 437.750 4.877 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(C)(C#N)CC1 549256969 RGXWGBFCUAIDNG-UHFFFAOYSA-N 427.980 4.958 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(Br)cc1C 555261560 VSLBRELMTAIGPB-UHFFFAOYSA-N 426.362 4.547 30 10 IJEE N#Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccc(C(F)(F)F)cc4)o3)C2)c1 585191813 UJZDJHLMUHZPBY-QGZVFWFLSA-N 426.398 4.647 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2cccc(C(=O)O)c2)cc1 586250492 JKSQZUFUCOYSNZ-UHFFFAOYSA-N 448.544 4.949 30 10 IJEE C#CCCCCC[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686711871 JNPVJWVZWJFFJE-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE C#CCC[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686829941 FLBTZTWFOGNJPP-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(OC)cc1Br 698375978 OCMUTLULUYXQBU-GOSISDBHSA-N 440.382 4.601 30 10 IJEE C=CCC1([C@H](Cc2ccc(Br)s2)NCC)CN(C(=O)OC(C)(C)C)C1 722924081 VTYCIXZWIRLYGG-HNNXBMFYSA-N 429.424 4.844 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cnc(Cc2ccc(F)cc2)s1 727233400 PHMUUDYXFJGGLK-IBGZPJMESA-N 435.524 4.959 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 741395900 PQPKNTJKPVCGNG-LJQANCHMSA-N 443.429 4.894 30 10 IJEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCC(C)(C#N)CC3)CCC(=O)N2c2ccc(C)cc2)cc1 780779461 GDQDYUJHELWBGN-UKILVPOCSA-N 445.563 4.640 30 10 IJEE C[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(Cl)cc1Cl 787051294 HRCDGEXJJQAEDM-KYTKNBDNSA-N 437.273 4.961 30 10 IJEE CCCCCCCCc1nnc(NC(=O)c2cc([N+](=O)[O-])ncc2Br)s1 798157387 HVKHNSZGCDMIFS-UHFFFAOYSA-N 442.339 4.759 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 803525237 KKBMKVMHXSYDSQ-RXVVDRJESA-N 428.492 4.527 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 804560477 CDJSJOZSIDKXRP-RUZDIDTESA-N 440.588 4.809 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3C)N(CC3CCC3)C2=O)cc1 915117170 WXKFLCIANQZKID-JOCHJYFZSA-N 449.576 4.958 30 10 IJEE Cc1ccc(-c2cc(C(F)(F)F)nc(NN=Cc3ccn(CC(F)(F)F)n3)n2)cc1 1081014405 LYJPOWHLFCOPRS-UHFFFAOYSA-N 428.340 4.676 30 10 IJEE CCOC(=O)c1sc(NC(=O)C/C=C\c2ccc(Br)cc2)c(C#N)c1C 1124068101 AMEXAGGIRFVIJD-PLNGDYQASA-N 433.327 4.909 30 10 IJEE C=CCC1(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)CCOCC1 1124713715 OKFISUBHZQJHAH-UHFFFAOYSA-N 426.460 4.944 30 10 IJEE CC(C)CN(C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)c1ccc(C#N)cc1 1124832240 DQTKUJDKZIULGQ-AREMUKBSSA-N 437.543 4.815 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC/C=C/CC)ccc1Cl 1129246599 CZFWKQZXNZXEID-AATRIKPKSA-N 436.936 4.556 30 10 IJEE C#C[C@@H](NC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)c1ccc(Br)cc1 1129611129 VOCGJPBOFZIHAJ-MLFXKNMZSA-N 430.298 4.501 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 1130626563 MTBWHKBMLYQALW-UHFFFAOYSA-N 449.938 4.610 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N(C2CC2)C2CC2)ccc1Cl 1131163196 NGDYWCBNFZDSJF-UHFFFAOYSA-N 448.947 4.627 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 1135470474 ZLJWMUIWFJQAGT-LJQANCHMSA-N 427.545 4.783 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)c1 1144134930 ORAVRGOVHIMMSO-UHFFFAOYSA-N 432.545 4.752 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 1148415667 SGPNCOBSHNMJTF-QGZVFWFLSA-N 439.343 4.559 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3cccc(-c4ccc(C)cc4)c3)ccc2c1=O 1150911992 DMWJZGNRULSZRE-UHFFFAOYSA-N 441.556 4.777 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 1159535878 TVTORTWUWOXSJF-UHFFFAOYSA-N 427.426 4.859 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](C(C)(C)C)Cc4ccccc43)ccc2c1=O 1171497879 CGGXIGAZFIKAPF-GOSISDBHSA-N 433.577 4.736 30 10 IJEE C#CCN1CCC[C@@H](NCc2c(C)nn(-c3ccccc3)c2Oc2ccc(OCC)cc2)C1 1179579849 WIQPIRZUYCITDD-JOCHJYFZSA-N 444.579 4.559 30 10 IJEE CC(C)(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(F)cc1F 1188221483 ADTUYXCWHFHRSJ-QGZVFWFLSA-N 432.414 4.921 30 10 IJEE CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)c1ccccc1C#N 1189645662 GXMNMJKZPMFJPX-UHFFFAOYSA-N 447.771 4.998 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Br)ccc1OCCC 1191264941 JKRHCIZOCZMPIO-SFHVURJKSA-N 438.387 4.704 30 10 IJEE N#Cc1ccc(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)cc1Br 1205019533 BUZQSINXBPTTHU-IBGZPJMESA-N 428.330 4.736 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cnn(-c2ccccc2C)c1C(F)F 1207247691 AGOOLTAOPUFQJJ-UHFFFAOYSA-N 430.455 4.814 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(-c2ccc(F)cc2F)on1)c1ccc(Br)cc1 1252458950 NSRPNUMTVQOJCG-GOSISDBHSA-N 446.251 4.556 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc3ccccc3c2)c(C(=O)OCC)c1C 1264357038 BJEGPQDADUJFCV-UHFFFAOYSA-N 437.517 4.910 30 10 IJEE C#CCN(C(=O)c1ccc(F)c(Cl)c1F)[C@@H]1CCOc2ccc(Br)cc21 1265209950 KXXCKYWUWLMFSU-OAHLLOKOSA-N 440.671 4.980 30 10 IJEE N#Cc1ccc(CNC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)cc1 1265361384 GRRISNHFWREFOH-UHFFFAOYSA-N 449.173 4.628 30 10 IJEE COc1cc2c(cc1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)OCO2 1277201959 DCHMCBJDODKWKB-UHFFFAOYSA-N 439.283 4.966 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(Cl)c1C 1286273519 IBLHXOAONKSWBL-GFCCVEGCSA-N 432.753 4.504 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1286407480 WSOIVVUSXNZQRD-ZWKOTPCHSA-N 439.485 4.803 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C)C1 1286554312 XMVKMMOADDAJDK-KPFFTGBYSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1C1CC1 1286561909 HHIQJRCTBIOUAI-XCBAANBCSA-N 430.980 4.978 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccsc1 1286562464 ABORJMWXCLDJJI-REWPJTCUSA-N 438.597 4.845 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)c2nc(C)cs2)CC1 1286647493 HXIFUZVOGNPSBZ-OAHLLOKOSA-N 429.540 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1286669610 LWDNRBKDZXNGRF-FQEVSTJZSA-N 446.599 4.666 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286690073 KSWKWDWDLMVNMH-BRSBDYLESA-N 444.542 4.709 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCC[C@H]1CC 1286718235 CASZNPNOKKQLLC-LJQANCHMSA-N 432.410 4.594 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCN1CCCCC1 1286745603 WSUDPXAQPCYBEM-UHFFFAOYSA-N 439.604 4.748 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1287419631 LKHPFZZQSGTVFO-SFHVURJKSA-N 437.337 4.823 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C)(C)CC2)C1 1291101819 BZTWOXJEMPNWRO-HXUWFJFHSA-N 434.632 4.954 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1)OC 1291940975 AKPJSTCOJIKKMG-HXUWFJFHSA-N 431.531 4.894 30 10 IJEE C#Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)cc1 1298094030 YJFKKYKOWODYCN-UHFFFAOYSA-N 446.572 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(Cl)c1 1300327481 CIJPWAZRULHOPH-LPHOPBHVSA-N 443.979 4.510 30 10 IJEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1300422731 XXNHSHIHBXMWNP-QFIPXVFZSA-N 429.524 4.639 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCc2cc(F)cc(C)c2C1 1300853388 NVYAMLNZUPMXHJ-UHFFFAOYSA-N 447.377 4.849 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nccs1 1300979946 IZCCMNBLDJBQBS-UHFFFAOYSA-N 425.602 4.928 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 1301182822 NVIVYJARIJVAES-UHFFFAOYSA-N 447.509 4.697 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1301187434 VSBGXBLLLKYECY-QHCPKHFHSA-N 439.604 4.601 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)CC1 1301236672 HSYQTYSLJRNTBM-INIZCTEOSA-N 425.524 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1c(C)coc1C 1301333741 AEABEBGSPUBTCL-UHFFFAOYSA-N 431.540 4.743 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)Cc2scnc2C)cc1 1301527080 TZOSWEVBOATJQX-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(F)(F)F)C1 1301545607 JLLNFSGAHQQRGO-QGZVFWFLSA-N 431.462 4.617 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[C@H]2CC)C1 1301556381 IGUMULOZIXOZES-GUDVDZBRSA-N 430.543 4.755 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1301618757 XUVPRESJOWJTMF-KNQAVFIVSA-N 426.630 4.896 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 1302982241 HJCSWSSHFVHPRV-RTBURBONSA-N 428.462 4.850 30 10 IJEE C=CCOc1cccc(NC(=O)N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)c1 1310188521 PWKGHGZSBCFDDF-UHFFFAOYSA-N 439.556 4.853 30 10 IJEE CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 1310719408 BWEJRGHQVXMZLU-UHFFFAOYSA-N 431.945 4.590 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 1310842516 NNAWSZGMYBYKOO-UHFFFAOYSA-N 430.224 4.749 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@H](COC)c1ccc(Cl)cc1)c1ccc(Br)cc1 1312936243 HJEHKUUDZZTACB-RBUKOAKNSA-N 435.749 4.806 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 1313003539 ZKZNMAWWZKPSTC-WCXIOVBPSA-N 433.515 4.608 30 10 IJEE C=C(C)Cn1c(-c2oc3ccccc3c2C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1343379642 WKVGFRSBTQURFQ-LJQANCHMSA-N 449.599 4.953 30 10 IJEE C=CCC[C@@H](C(=O)NCCC(=O)Nc1ccc(Br)cc1C)c1ccccc1 1352086508 UAGLAZXGYNLZLW-LJQANCHMSA-N 429.358 4.952 30 10 IJEE C=CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc([C@H](C)CC)cc3)CC2)CCCCC1 1355578666 HWZDLALZKNJIMP-HXUWFJFHSA-N 432.630 4.560 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOC1CCCCCC1 1359000653 BITJYTNQLRXIHB-LJQANCHMSA-N 428.552 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N(C)C1CC1 1359064575 WAEKFACKOZBJBC-HOOSLVGPSA-N 442.007 4.546 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1359096793 HEZNRYMBBSXPIE-NFBKMPQASA-N 440.588 4.571 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(C)CC1CCC1 1359106239 ZGUYIQOCFMDVIQ-WMZHIEFXSA-N 442.629 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCO[C@H]1CCCC[C@H]1C 1359108726 ALNUBJKVNLCXAS-NQIIRXRSSA-N 427.549 4.851 30 10 IJEE C=C(C)Cn1c(N(CCC)Cc2ccc(F)cc2C)nnc1[C@@]1(OC(C)C)CCOC1 1359124822 FTTXSNKTETYQAE-XMMPIXPASA-N 430.568 4.759 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359166932 MNVWFGMKCNGZLM-SZPZYZBQSA-N 439.623 4.923 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCSC(C)C)CC1 1359176211 PLLLTNQUUHDNEP-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCC2CCOCC2)CC1 1359182194 WMKXIFKHVNRTCJ-UHFFFAOYSA-N 428.552 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1359186961 YCKYJFUYVYISRJ-UHFFFAOYSA-N 438.526 4.547 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359199366 SMDCDBPVDHQCLF-IXFSTUDKSA-N 430.980 4.728 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)OCCc2sccc21 1359269058 MYEUCFSRNGMURX-DEOSSOPVSA-N 431.565 4.545 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCc2cccc(Br)c2C1 1359340765 YSDXADIXHAOSNK-UHFFFAOYSA-N 444.402 4.518 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)cc1 1360373998 JOZFWGYPNPUGHC-HXUWFJFHSA-N 434.536 4.896 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC[C@@H]1C 1360935333 GNYUVRZDESZTNE-IBGZPJMESA-N 432.572 4.619 30 10 IJEE C/C(=C/C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 1435599278 HLLSEOSDYLTAOY-PTNGSMBKSA-N 429.442 4.882 30 10 IJEE C=CCC[C@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccc(C(F)(F)F)cc1 1435635175 OLWYQQXWOWBQRM-KRWDZBQOSA-N 439.507 4.723 30 10 IJEE C=CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)OCC 1435901645 URPQFRYRIDOPFM-QFIPXVFZSA-N 438.524 4.695 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 1436066673 ZMLQINSOIUNUEH-MRXNPFEDSA-N 431.330 4.551 30 10 IJEE C=CC[C@@H](CC)NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1448566604 VAYLKZCNDRQCGZ-OAHLLOKOSA-N 427.353 4.879 30 10 IJEE C=CCC[C@H](NCC(=O)NC(=O)Nc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 1459825313 KYJAIYFBKWAADF-IBGZPJMESA-N 435.446 4.659 30 10 IJEE CCO[C@H]1C[C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC 1459983245 CEOSPQPSWGVMAV-PKTZIBPZSA-N 436.600 4.537 30 10 IJEE N#Cc1ccc(CNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 1460171881 BRLBWEADFLCOBC-UHFFFAOYSA-N 439.346 4.579 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)C(=O)OCC 1462157435 POQFLOGVBQGWRS-CQSZACIVSA-N 429.872 4.821 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 1466436418 MPGLCZARKGNWAP-UHFFFAOYSA-N 429.299 4.624 30 10 IJEE C=CCC1(CNC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CCCC1 1468455553 SCHCYPFSDCVEKR-UHFFFAOYSA-N 435.406 4.933 30 10 IJEE CCOC(=O)c1sc2nc(CN(C)C)nc(Oc3cc(C)c(C#N)c(C)c3C)c2c1C 1472778551 CERGCDYIWMJMCZ-UHFFFAOYSA-N 438.553 4.827 30 10 IJEE C=C[C@H](CO)N[C@H](C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccc1 1473667718 FKJDHDAMHJOIAO-BEFAXECRSA-N 448.375 4.933 30 10 IJEE CN(C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1476792201 FVGJNWWFNSJNAY-KGLIPLIRSA-N 429.380 4.970 30 10 IJEE C=CCN(C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1)[C@@H](C)COC 1478157359 BSMHVZLVMWHCTE-UONOGXRCSA-N 438.391 4.866 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 1478896774 QGKDNNXPXYSYDI-DNQXCXABSA-N 434.923 4.626 30 10 IJEE Cc1cnc([C@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@H](C)C#N)s1 1492631235 HUZLIHPBCWCEDZ-HZPDHXFCSA-N 447.568 4.765 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1C[C@@H](C)O[C@H](C)C1 1507659713 DBATYSZILQYVCH-XPNTWCBSSA-N 448.611 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccccc1Cl)N(C)C 1507825902 AUSFUZMPOOCXIA-QFIPXVFZSA-N 439.007 4.623 30 10 IJEE C=C(C)COCCn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1C(F)(F)F 1507840194 PCSMCCVGGDYLLB-UHFFFAOYSA-N 433.478 4.532 30 10 IJEE C=C(Cl)Cn1c(N(C)c2ccc(C)cc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507874837 LQDSQRYMPOVFCG-CALCHBBNSA-N 431.968 4.878 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCCOC)CC1 1507880099 HHKQAFODQFFRBF-UHFFFAOYSA-N 439.785 4.944 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2Cc2cn(CCCC)nc2C)CC1 1507892745 YNPNDXNIDLCRFZ-UHFFFAOYSA-N 448.615 4.929 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507978905 UZDKIMXRVDNMQN-SZPZYZBQSA-N 447.631 4.511 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cccs1)C1CC1 1507993332 JXZQJNPMCDRRAS-QGZVFWFLSA-N 443.617 4.657 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCS1 1508011167 NSDKSAXQVLCUDP-SXLOBPIMSA-N 448.658 4.542 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](CC)N1CCCC1 1508015403 UZXMTEGPQUCZOG-NRFANRHFSA-N 430.600 4.855 30 10 IJEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1508162204 POKMTLCZPYUQIQ-ZWKOTPCHSA-N 447.674 4.665 30 10 IJEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC2CCCC2)CC1)OC 1514331329 DWJOABOCPSEFOZ-QHCPKHFHSA-N 437.588 4.560 30 10 IJEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CCCCC1 1518788597 BDZKQAMVYWBDMD-OALUTQOASA-N 439.629 4.744 30 10 IJEE C=CCN(C(=O)c1cc(Cl)cc2ccc(C)nc12)[C@H](Cc1ccccc1)C(=O)OCC 1522165556 IGTDQQBOTGWVGX-JOCHJYFZSA-N 436.939 4.999 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1524936795 HBWHUFUGEUJWHO-HXUWFJFHSA-N 445.469 4.731 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1525235970 OYUHAOFYJYKUJP-FGSXEWAUSA-N 431.363 4.816 30 10 IJEE C=CCCC[C@H](C(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1525740053 YNKZWOOVCZNQNJ-QFIPXVFZSA-N 444.616 4.906 30 10 IJEE C#Cc1cccc(N(C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)C(C)C)c1 1528199909 QUKDRJWJMCUVKM-UHFFFAOYSA-N 437.540 4.826 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 1528415950 QXUHBCJOEIHEIH-UHFFFAOYSA-N 429.314 4.544 30 10 IJEE CCN(CC)CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1528588283 CVUIXUVNMMJYRA-UHFFFAOYSA-N 430.508 4.718 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1534159660 ZQTROKSQUCCYNA-QGZVFWFLSA-N 444.572 4.688 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H](C)c1cnc(-c2ccc(Br)cc2)s1 1534531371 YXDUAUJJRDCSQD-WBMJQRKESA-N 437.359 4.648 30 10 IJEE C#CCCOc1ccc(C(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)cc1 1534740605 QFXSQXCJCPBGIY-QZTJIDSGSA-N 430.470 4.847 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)cc1 1537826312 UGCLUSJZFYTCLS-UHFFFAOYSA-N 442.878 4.630 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cccs1 1539497869 QCEGQUDPYBQQMR-UHFFFAOYSA-N 434.537 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1539635455 GKPFHFUNMRMWFF-OPYAIIAOSA-N 429.634 4.786 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1539743877 UYRREJVUDRHGPB-HSZRJFAPSA-N 433.556 4.673 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539835789 HIVFDRRUMANUMT-HKUYNNGSSA-N 441.576 4.648 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1539898309 RGUMVNUDFQCCPW-CJFMBICVSA-N 426.605 4.673 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1C 1539917012 QDSVVONLSOUEDS-OALUTQOASA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1539971691 OTMXMMSDHXEILN-HSZRJFAPSA-N 426.561 4.524 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C2CCCC2)CC1 1539981444 GYIWWZOARYKDOY-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1540052067 VWWNTOKYYDOLOY-SIBVEZHUSA-N 432.616 4.934 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1540175472 ZKWVWWSTXJKNGQ-ZJSXRUAMSA-N 449.599 4.748 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2coc(-c3ccc(C)cc3)n2)C1 1540893132 XUBJDGODNBQNPW-NRFANRHFSA-N 435.572 4.660 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCS1 1541513004 DLNOBMBALQZMOK-IBGZPJMESA-N 441.601 4.726 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2ccco2)C(C)C)CC1 1544272896 DQZJMRMBRBCTIP-NRFANRHFSA-N 446.599 4.945 30 10 IJEE C#CCC1(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)CCCCC1 1557523764 NQZKUDIZJKKPJP-IAGOWNOFSA-N 430.511 4.512 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@@H](N4CCCC4)C3)c2C#N)C1 1559483974 CIAMLHWITYQSAL-RBUKOAKNSA-N 442.673 4.660 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 1559591647 BJQRRIJYJUROGV-URXFXBBRSA-N 449.595 4.500 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc(-c2cnccn2)no1)c1ccc(C)c(C)c1 1565656752 PIPOGLRDJDKOSU-UHFFFAOYSA-N 441.491 4.555 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccccc2C(F)(F)F)C1 1566258606 KBNJPMSGCRITRI-QGZVFWFLSA-N 446.897 4.742 30 10 IJEE COc1ncc(NC(=O)CC[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1C#N 1584825990 GUMDFAFHPIEKSY-SFHVURJKSA-N 430.549 4.544 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)c1cccc(C)c1 1587575238 RKGHHHKAPNSGCH-JKSUJKDBSA-N 426.362 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC12CCC(CC1)C2 1588180474 GRJDZQJQMOOJMM-VEODAXLASA-N 446.595 4.860 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(Cc1ccnn1C)C1CC1 1593671643 NTKLMLSTWDCHLN-UHFFFAOYSA-N 434.588 4.633 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@H]1CC 1594720335 JLYLTVHAHUASTM-RTBURBONSA-N 434.588 4.827 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccc(C)o1 1594792887 ADGCXKWEOGTBTL-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC2(CCCCC2)C1 1594797499 BDEIAVVLIRABSG-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCCN(C)C2CCCCC2)C1 1595706111 HGOSPMYKUSXCJH-OAQYLSRUSA-N 441.595 4.520 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3cc(Cl)cc(Cl)c3[nH]2)CCCN1C(=O)OC(C)(C)C 1595733560 DOJZIMPCBNYTBY-HXUWFJFHSA-N 437.327 4.601 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC1CC(F)(F)C1 1595895688 OJKZDXGILRDYPQ-UHFFFAOYSA-N 431.556 4.751 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 1597010286 KJLKFPWGTTVTJP-UHFFFAOYSA-N 431.558 4.646 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)OCCc2sccc21 1597238099 HZEBOZYLFAROTF-QHCPKHFHSA-N 427.618 4.546 30 10 IJEE C=CC1(CC(=O)N2CCC(Nc3ccccc3Cl)CC2)CN(C(=O)OC(C)(C)C)C1 1611088750 NFEGTAZEZCNHTB-UHFFFAOYSA-N 433.980 4.556 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H](C)C1 1612804828 GODFOOKYBVDFKV-FQEVSTJZSA-N 432.572 4.557 30 10 IJEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC2CCCCCC2)CC1 1612861476 ARVJHXYRUKVZLB-UHFFFAOYSA-N 437.588 4.704 30 10 IJEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C#N)CC1 1613100683 CKNFPGMYCVALAK-SZNDQCEHSA-N 436.387 4.789 30 10 IJEE C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1616285229 USHCUQHIASTGDY-BHAGLWOSSA-N 431.298 4.858 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)SC 1619900437 DJIWXTYDPNTVDO-UHFFFAOYSA-N 439.585 4.513 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCc3c(-c4ccccc4)cccc32)c(C(F)(F)F)c1 1622006428 FVIRQDAOLZMUQP-UHFFFAOYSA-N 428.435 4.995 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N(OC)C2CCCC2)c1 1624931920 OQOAAQUATJWMPK-UHFFFAOYSA-N 448.972 4.668 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c1 1625587008 BBHIMJHAJCBVQY-OAHLLOKOSA-N 437.849 4.760 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 1625901341 JSMBVEAEQADCAM-LJQANCHMSA-N 443.931 4.913 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cccc(C(F)(F)F)n1 1627695262 RNPXBFFRNGBLBB-UHFFFAOYSA-N 431.227 4.759 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)OCC 1627752486 PYUVDYPNNASAQH-QGZVFWFLSA-N 432.860 4.668 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 1629124848 ULZYWUKLBXRNAF-JOCHJYFZSA-N 429.969 4.895 30 10 IJEE C=CCCC[C@H](C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1)c1ccccc1 1633476809 XAXNFPFYRBYFPZ-NRFANRHFSA-N 447.539 4.650 30 10 IJEE C=CCn1c(SCCOc2ccc(C(=O)OC)cc2Cl)nnc1-c1ccccc1 1640571260 LBMSYQVSQWYYER-UHFFFAOYSA-N 429.929 4.742 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@@H]3[C@@H](O)c3ccccc3)c2)c1 1644024666 BCJFUEHUTQYIFX-FTJBHMTQSA-N 426.516 4.866 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)ccc1OC 1649342453 ACQBSUZNWKBDRF-NRFANRHFSA-N 430.976 4.763 30 10 IJEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1cc(Br)c(C#N)cc1F 1651561562 AFFMGMIKNPVVRO-BZNIZROVSA-N 442.329 4.632 30 10 IJEE C=CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H](Cc1ccccc1)C(=O)OCC 1652206752 PYXQLNIICLSJAM-QHCPKHFHSA-N 425.569 4.861 30 10 IJEE C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)cc(C)c1)CCCC3 1652417725 BLBVKZVGHKJAEC-LJQANCHMSA-N 426.607 4.972 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 1659600853 QLYKUZFZBYPOAI-UHFFFAOYSA-N 425.460 4.779 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC1 1668213625 GDIDMIIORNOHMD-UHFFFAOYSA-N 448.473 4.770 30 10 IJEE C#CCN(C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)[C@H]1CCCc2ccccc21 1668266699 ZLMADUVZBAOJBS-IBGZPJMESA-N 432.492 4.572 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCCCCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1671851749 JKFPKUNDQPZZBA-LJQANCHMSA-N 425.520 4.966 30 10 IJEE CC(C)(C)N1CCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1673090619 HTHSUMBUCZZYLW-UHFFFAOYSA-N 429.380 4.924 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc21 1673307421 QEVZJTIFRMRMEU-FQEVSTJZSA-N 435.528 4.610 30 10 IJEE COc1ccc(NC(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)cc1C#N 1673850125 FWEGTCZXDBZRBI-UHFFFAOYSA-N 430.549 4.648 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1cc(Br)ccc1OC)c1ccc(F)c(F)c1 1678781782 RUVVGNIBVLHCCU-GOSISDBHSA-N 425.273 4.853 30 10 IJEE C=CCCCCCCNC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1679878793 LGLLTNGQXAVSFK-IBGZPJMESA-N 436.394 4.689 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 1684428184 BZJGFQNGEPDTAZ-QESAQDPVSA-N 440.588 4.551 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC[C@H](OCC)C(C)C 1689842816 JNDVHZAXKUTSNP-LPHOPBHVSA-N 433.394 4.617 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1689895570 YNWIPJNKZCDDQH-WOJBJXKFSA-N 442.554 4.594 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1689918237 VUJJQEKNQLZJST-OAQYLSRUSA-N 449.643 4.645 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1CC1CC(C)(C)C1 1690083215 BGBXFXFSUZIXLD-UHFFFAOYSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@H]1C 1690192848 FGNLRYLJSCDTAC-LIXHSBQKSA-N 435.616 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCN1CC 1690212514 NSAXUTABLWBITH-AJTFRIOCSA-N 449.643 4.631 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCSC2(C)C)CC1 1690367531 SAMAVZHQYYALLZ-SFHVURJKSA-N 428.602 4.650 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1690444842 MZKHAPLYNZXVQH-GOSISDBHSA-N 435.963 4.656 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1690455579 KPLKCFSKWUDPFL-NRFANRHFSA-N 447.583 4.849 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1CC(=C)Br 1690605846 ZKMVFPTXFZWKOS-UHFFFAOYSA-N 443.345 4.690 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1690655414 SYLCHPPEWCQECH-YMPZKCBVSA-N 443.680 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1705477481 OOTAGBMYSHXKIY-AJGMTHFWSA-N 441.595 4.526 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(CC(C)C)CC1 1705509572 KTNQUUJQSRUCHD-UHFFFAOYSA-N 439.673 4.857 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705514489 YNBMRJAUBIHNMS-XZOQPEGZSA-N 433.600 4.880 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnc(C)s1 1705525056 XQHARBGFHSYCAZ-OAHLLOKOSA-N 429.977 4.886 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CC=CCC1 1705592396 JBRHXGXAVSEKGZ-LJQANCHMSA-N 437.385 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1C[C@H]1C 1705676524 DYBPVZMDJNMXFG-ROMRWMGNSA-N 426.992 4.900 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@]2(CC=CCC2)C1 1705689395 LDWGPGZZAAXJEO-HXUWFJFHSA-N 448.434 4.869 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](OC)[C@@H](C)CC 1705711128 BICVCXHGPCLOAM-MAUKXSAKSA-N 438.414 4.510 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1705739604 LQQXODCXETWBED-BGYRXZFFSA-N 426.605 4.840 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)c1ccccc1 1705796404 DUHXUWGHYMFUFS-GGAORHGYSA-N 437.632 4.531 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1705813266 BLDAQNAEJSJPQW-CRAIPNDOSA-N 429.977 4.988 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1705823644 QYAMZCLESQDIMD-UHFFFAOYSA-N 439.551 4.529 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1ccc(-n2ccnc2C)c(F)c1 1705879444 YXHPRDNYPORGEW-UHFFFAOYSA-N 448.546 4.911 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1 1708022208 FZEZXTLVNIBBTE-MZNJEOGPSA-N 441.645 4.668 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)cs2)CCS1 1708870984 DINAPZUZFARPST-UHFFFAOYSA-N 438.626 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)CCC(C)C 1722285200 QIRIXMHLCUYPRJ-HTAPYJJXSA-N 447.421 4.661 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C1CCCC1 1722333416 JWBQEBJNHBDSIZ-LJQANCHMSA-N 429.609 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](C)N1CCCCC1 1722344661 ARCQWPSFKPJMFW-LJQANCHMSA-N 425.646 4.609 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOc1ccccc1 1722378383 BJOSVKMOAIFQQA-FQEVSTJZSA-N 444.604 4.673 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@@H]1CCCCO1 1722404091 PPROLTVQZWARKB-NRFANRHFSA-N 434.540 4.536 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2CCC[C@@H]21 1722479748 HJEPPEGYCIMMRF-BBRMVZONSA-N 437.769 4.895 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cc(C)cs1 1722495871 ULMPAWRVCVAEOC-DENIHFKCSA-N 438.597 4.941 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCc2cccnc21 1722506628 VGWJCOQWCHMYDK-FQEVSTJZSA-N 447.583 4.880 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722587365 LQKOPKKVZSFFFC-GOSISDBHSA-N 444.023 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nc2ccccc2s1 1722588603 BHBAIUXMROUMCN-UHFFFAOYSA-N 449.628 4.988 30 10 IJEE C=CCCCCn1c(N2CCC=C(c3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722609847 GXVUEILMSBKRGG-SANMLTNESA-N 436.600 4.969 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1722621536 XLIXMFVFVKGWDC-PMACEKPBSA-N 428.552 4.605 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC(C)(C)c1ccccn1 1722662716 MCLIZDLUCXYJCN-UHFFFAOYSA-N 444.608 4.891 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@H]1N(C)CCCC1(C)C 1722663938 LTEJQZCHLVYILG-NHCUHLMSSA-N 443.661 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 1722715477 NWIBXLAXULKSJE-JQVVWYNYSA-N 442.579 4.707 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCc2cccc(C)n2)c1 1724185868 CSGVTWJHKFTOIX-AREMUKBSSA-N 444.583 4.550 30 10 IJEE COCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CCC1 1730511219 HZANYLMUXMZWNE-GOSISDBHSA-N 441.551 4.504 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740557866 RGWHUDJUSKPPQS-LPHOPBHVSA-N 449.624 4.561 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(NC(C)=O)cc1 1740664420 PPTROTALMRMVTE-KRWDZBQOSA-N 447.608 4.598 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccsc1 1740682049 IRYSMBUUIGVBOW-UHFFFAOYSA-N 440.638 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCCC1 1740753128 FWYHPFCVKDUCCM-APWZRJJASA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1740760852 LCPFWSUIKXOOOD-UTKZUKDTSA-N 430.980 4.825 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(C)c1 1740778777 DSMXLWCDIPZOGG-QGZVFWFLSA-N 428.968 4.634 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2Br)n1Cc1ccn(C)n1 1740854907 ASHZMUDEWFCBPV-UHFFFAOYSA-N 443.393 4.672 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740859233 IJCNKESQIIYKIB-BGYRXZFFSA-N 437.588 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCCN1CC 1740900994 AOTDHVNXDOHEKP-FQEVSTJZSA-N 435.572 4.614 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCc1nc(C(C)(C)C)cs1 1740903948 RALWZRWFBNXPBC-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@H](C)N1CCC[C@H](C)C1 1740914845 LOFDJLRHMJEXHB-BDTNDASRSA-N 434.632 4.976 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CCc1ccc(Br)cc1 1740937720 NCNVGEOXKIWLIS-UHFFFAOYSA-N 441.373 4.989 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@@H](C)C2)cn1 1746089151 GJBGWAWMJBSLFG-PMACEKPBSA-N 443.599 4.589 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1Cc1cc(Br)cs1 1747704118 BMWBIYVEIWTNKK-UHFFFAOYSA-N 442.386 4.926 30 10 IJEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCC1(C)C 1747757387 GJYMVUHTAIABME-FQEVSTJZSA-N 430.556 4.586 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(CCOC)CCCCC1 1748661219 CFWUOKWVWVLGFT-HXUWFJFHSA-N 433.600 4.882 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1748830036 NQSIWRDMVSLWKI-BZSNNMDCSA-N 448.464 4.924 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCN(CCC)C(=O)OC(C)(C)C 1748921347 PNEWZVJSHOAMSQ-UHFFFAOYSA-N 445.995 4.705 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1748936416 YLBWXMMALNKMJD-GOTSBHOMSA-N 435.660 4.669 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](COCC)C1 1749024112 FTGUFQNNEWRLLE-GOSISDBHSA-N 444.670 4.505 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCC=C(C)C1 1749120088 ADUFFMLQUYEYFJ-UYAOXDASSA-N 443.389 4.845 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC2CCCC2)CC1 1749218711 UHRRIJZTBFDQBC-UHFFFAOYSA-N 445.995 4.514 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C(C)C)C1 1749257369 PRAYLYAMTKIXPI-KRWDZBQOSA-N 439.785 4.630 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1749403316 ZHWRHTGAXZJMOF-QHCPKHFHSA-N 441.595 4.727 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN1CC)C1CC1 1749527850 TYYFZYZGMJVVDQ-QFIPXVFZSA-N 437.632 4.794 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C 1749536594 QNIHCJGKRDZJTI-IBGZPJMESA-N 427.593 4.851 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H](c1cccs1)N(C)C 1749539192 VZSDQVCMUJBTBM-JOCHJYFZSA-N 444.608 4.897 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CCc1cc(C(F)(F)F)ccn1 1749579026 KPRCRZRCCXXZJS-UHFFFAOYSA-N 433.503 4.765 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1ccccc1 1749600663 IRLGBEJQHARAKD-CEMLEFRQSA-N 426.605 4.639 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2CCc2nc(C)c(C)s2)o1 1751477708 AIRZEFSKZOFOHI-UHFFFAOYSA-N 426.590 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1760337241 OQIMIPSCSKQVRI-OAQYLSRUSA-N 426.605 4.794 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1760342313 GOXVWEPBYOJBHK-UHFFFAOYSA-N 433.547 4.681 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760347987 KVXMRXUKMYXTOA-QAPCUYQASA-N 437.371 4.745 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1760385092 LZDQGDBBUUAOPZ-JOCHJYFZSA-N 430.556 4.649 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCc2sccc2C1 1760446265 MDYJHSQWWJPGJP-UHFFFAOYSA-N 432.952 4.955 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)C(C)C 1761074563 APCRKGJPBXYGHU-RUZDIDTESA-N 434.588 4.666 30 10 IJEE CC[C@@H](C)c1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@H]1CCCCS1 1763548993 HAWZOCWOVLLUJS-WIYYLYMNSA-N 427.618 4.602 30 10 IJEE CN(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccs1 1766891785 BTTSYUACYINKHJ-XXBNENTESA-N 426.634 4.505 30 10 IJEE Cn1c2ccccc2c2nnc(NN=Cc3cn(Cc4ccccc4)c4ccccc34)nc21 1772764893 IHUUIADZBFKSNQ-UHFFFAOYSA-N 431.503 4.966 30 10 IJEE CC(=O)OCCn1nc(C(=O)Nc2ccc(C#N)cc2)cc1-c1ccc(Cl)c(Cl)c1 1859390431 YUGRAXAGMIHPHE-UHFFFAOYSA-N 443.290 4.544 30 10 IJEE Cc1ccc(CCC(=O)Nc2ccc(CC(=O)Nc3ccccc3C#N)cc2[N+](=O)[O-])cc1 1860865081 SAMQSYCKTBIHRC-UHFFFAOYSA-N 442.475 4.527 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCCCO)c1 1862543630 LEOKSLMEYISBLL-DEOSSOPVSA-N 433.548 4.615 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(F)cc2F)cc1 1862595250 LZUPIFVHFFAUIK-HSZRJFAPSA-N 449.453 4.800 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)cc2)cc1F 1862638628 GQFWXBUSKPQIIT-BANJIEJESA-N 439.483 4.697 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(Br)cc1 1862646385 DYUVYKDVOAKRIA-SFHVURJKSA-N 448.288 4.585 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CC2)cc1 1862760720 UZVUVRARHOYYGE-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE CCOc1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863136586 WFAZDDGYLRPFGA-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cc3c(n2Cc2ccccc2)CCC3)c(C#N)c1C 1866251427 PSEGRLMEHPDMAB-UHFFFAOYSA-N 433.533 4.696 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)/C=C/c3cccc(Cl)c3)cc2)CC1 1870143531 QCIYCBSBDDLORW-BJMVGYQFSA-N 446.942 4.681 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)Cc1ccc(Cl)cc1 1870147179 CBVGCLAFDJORGA-UHFFFAOYSA-N 429.867 4.766 30 10 IJEE CCCCCCCCn1cc(OCCCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870664012 QNWUWHIWIUAFID-UHFFFAOYSA-N 434.621 4.727 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CN(C)C 1870722104 VTYDUOMJCYVXFI-UHFFFAOYSA-N 441.616 4.905 30 10 IJEE C#CCOc1cn(CCCCc2ccccc2)c(CNc2ccc(OC)cc2C)cc1=O 1871007163 PJZVUSNDEJBCCI-UHFFFAOYSA-N 430.548 4.812 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1cc(Cl)ccc1C 1871022639 VHTCDSQEZCZOPF-UHFFFAOYSA-N 444.959 4.863 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1cccc(C)c1C 1871159125 GBXNWPZYZJVIQX-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc3C2=O)c2ccccc21 1871370809 GCZQGZHGBRSLKU-FMCGGJTJSA-N 440.411 4.922 30 10 IJEE CCOC(=O)C1CCN(Cc2c(O)cc(C)c3c2O/C(=C\c2ccc(CC)cc2)C3=O)CC1 1871395015 BZTRPLLNKMRUFF-HAHDFKILSA-N 449.547 4.654 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871422485 MTFRCQVLMNBUJO-FMCGGJTJSA-N 431.419 4.662 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871793439 YIRIEDJIPUJCPV-LJQANCHMSA-N 441.380 4.896 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1)S(=O)(=O)CC 1872151309 ZXBCQTVHGLPMFJ-XMMPIXPASA-N 449.576 4.948 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)[nH]c2c1 1872816493 MBQBBVBESUXETP-UHFFFAOYSA-N 434.565 4.725 30 10 IJEE CC(C)OC(=O)Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1 1872869535 HBYSRHUVGULPFW-UHFFFAOYSA-N 428.488 4.884 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCOC(C)C)=C(c2cccc(OC)c2)C1=O 1873043439 SWQSYPZCAOWITH-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE CCCCCCCCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2cccnc2)C1=O 1873072540 GDYBDKQCFRVGEW-UHFFFAOYSA-N 444.579 4.836 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874267529 BVYQRDGFRCLAEH-CIAFOILYSA-N 429.889 4.579 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccnc2)cc1 1874293138 OSMGDRFVBHRIRZ-CVKSISIWSA-N 445.548 4.744 30 10 IJEE COc1cccc(CCc2nnc(SCCCO)n2/N=C/c2ccc(C(C)C)cc2)c1 1874312388 QPJQLQBBSOMKJQ-KOEQRZSOSA-N 438.597 4.552 30 10 IJEE CCOc1c(/C=N/n2c(COc3ccc(C)cc3C)nnc2SCC)cccc1OC 1874327026 RPMZOGFEBRAKCF-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2C(F)(F)F)cc1OC 1874459580 UWARNIHJOVDMKX-BHGWPJFGSA-N 436.459 4.797 30 10 IJEE CCOc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CC2)cc1 1874516583 FOKRCBXQRHJEBJ-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(CCC)cc2)cc1OC 1874566828 PYRTZOHCVSEDTN-BUVRLJJBSA-N 440.569 4.778 30 10 IJEE C[C@@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 1874614710 PVYKTMIDKGONFB-QIXNEVBVSA-N 430.460 4.747 30 10 IJEE C=CCOc1ccccc1OCc1nnc2n1N(C(=O)CCCC)[C@H](C(C)(C)C)CS2 1875081552 JODRPEUXDSUMEF-IBGZPJMESA-N 444.601 4.597 30 10 IJEE O=C(Cc1ccc(F)cc1)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1875150989 OXIVCODVASXELH-FPYGCLRLSA-N 449.390 4.507 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 1947957231 HTBPBBRZUIWLDJ-HJPURHCSSA-N 431.533 4.728 30 10 IJEE COc1cc(C=CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC#N 2040417022 OCVWXUABCKKVBE-UHFFFAOYSA-N 427.456 4.704 30 10 IJEE N#Cc1ccc(Cl)cc1Oc1ncc(I)cc1Br 2069535771 LOLIBEVJHDLXMT-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE COc1ccc([C@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C(C)(C)C)cc1O 2079952301 GMNBQCPBLKKBCH-KRWDZBQOSA-N 436.350 4.855 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N[C@H](C#N)C2CCCCC2)c1 2181054471 XQIONABXPRTPPC-QGZVFWFLSA-N 436.350 4.998 30 10 IJEE C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(Br)ccc2C#N)N(C(=O)OC(C)(C)C)C1 2181147976 PECGCPHVZSPQDA-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1(C)C 2186199530 CQQDVGVCYJMQDK-BBRMVZONSA-N 436.350 4.589 30 10 IJEE C=CCN(C[C@@H](NCCC)c1cc(Br)nn1CC1CC1)C(=O)OC(C)(C)C 2233303291 JVBTUENIVQHOBK-MRXNPFEDSA-N 441.414 4.519 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2235719508 FXYBUAKZNBSVCS-MJGOQNOKSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@H](O)C#Cc3ccccc3Br)CCC[C@H]21 2235741197 SRVFAHBZLWRRJW-HNBVOPMISA-N 434.374 4.587 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(C)CCCC[C@@H]1NC(=O)OC(C)(C)C 2235747846 UDNWYEIZYCFGTH-DXIQSLLYSA-N 435.406 4.862 30 10 IJEE Cc1cnc(N(C)[C@@H](C)c2cc(Br)cs2)c(B2OC(C)(C)C(C)(C)O2)c1 2241060426 XSPRMDBKFYVXMS-ZDUSSCGKSA-N 437.212 4.711 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2243380016 SIRJFBLTVVFIRI-UHFFFAOYSA-N 433.810 4.999 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CCC2)s1 2247813249 VPFKLDLOVCFDSI-UHFFFAOYSA-N 425.403 4.798 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1F)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255266772 BKKVDYWKADIBEG-BJKOFHAPSA-N 440.559 4.656 30 10 IJEE CCN[C@@H](CC#CC1CCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2261102655 IFYZZUVUCKEQHW-RPLLCQBOSA-N 439.644 4.718 30 10 IJEE C=CC[C@@]1(COc2c(N)cncc2Br)CCCCN1C(=O)OC(C)(C)C 2272094245 ZJUVYGAKQSNQLP-IBGZPJMESA-N 426.355 4.541 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 2296088950 YIAZBYHMCITRBZ-HSZRJFAPSA-N 446.478 4.631 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@@H](O)C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@H]21 2296225076 QTJCHBMDNBOTQB-LMCOJAPRSA-N 434.374 4.730 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C 2296275430 ZDSQGRHEUDBSAZ-PWIZWCRZSA-N 435.406 4.957 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(N)C#Cc1cccc(Br)c1 2296276695 KTTKZZBFXSLYQG-IXZPJTSHSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@H](N)C#Cc2cccc(Br)c2)C12CCC2 2296289351 QODCMLPXOJJBHJ-QXAKKESOSA-N 433.390 4.602 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC 2296289413 RJZUGJFSKGJBMA-VAMGGRTRSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2296298419 KCOQHXJSINAVBI-SXLOBPIMSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@]2([C@H](N)C#Cc2ccc(Br)cc2)C1 2296305226 QSGFOPBLJALHBE-KPLVRAHFSA-N 433.390 4.555 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296310245 HFDYXAXTHSRNST-MJGOQNOKSA-N 435.406 4.672 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2296311293 VKVFZITZUZNIPF-OALUTQOASA-N 435.406 4.957 30 10 IJEE CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nccs1 2314543148 WRIDJXKMIFEVLS-UHFFFAOYSA-N 426.479 4.935 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2nc4ccccc4[nH]2)CO3)C1=O 2322172131 CAYCGWYCAOPPJX-UHFFFAOYSA-N 437.499 4.882 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)COc3ccc(C)cc3)ccc2C1=O 2323188924 WHHPZRLUNSKLOO-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE COc1c(Br)cc(C=NNc2nc3ccc(C)cc3[nH]2)cc1Br 2323202525 GFHQNBMZSNJQNN-UHFFFAOYSA-N 438.123 4.851 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc(OCC(=O)Nc3ccccc3C(=O)O)c2C)C1=O 2325161836 FGGBWZLGWONTLY-UHFFFAOYSA-N 449.484 4.697 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2N=Cc2ccc(F)cc2)c(C(C)(C)C)c1 2325906424 GMCNWHXTNAPTOW-UHFFFAOYSA-N 442.560 4.569 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 2326819105 CRGKKTQXCOMUSO-UHFFFAOYSA-N 445.932 4.975 30 10 IJEE Cc1ccc(C)c(OCc2nnc(SCCO)n2N=Cc2c(F)cccc2Cl)c1C 2327320322 HKHDEWATYGGSGV-UHFFFAOYSA-N 448.951 4.541 30 10 IJEE Oc1ccccc1C=Nn1c(CCOc2ccccc2)nnc1SCc1cccc(F)c1 2329174810 YDKPJQWMLBWHBX-UHFFFAOYSA-N 448.523 4.919 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)ccc1O 2330961471 ZJBHKAIWADEOLC-LJQANCHMSA-N 442.516 4.548 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 2330975471 OUWQJXKTHOYLNO-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1cccc(O)c1 2331392212 DIINUQNNPIVEEB-UHFFFAOYSA-N 437.569 4.511 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(C(F)(F)F)cc1 2331417155 XADULZDJGYWTSP-UHFFFAOYSA-N 428.480 4.522 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(COC)c1 2337130242 HGNZSSSRKZPFIE-MSOLQXFVSA-N 427.383 4.716 30 10 IJEE C=C([C@H](OCCCN)c1sc(Cl)cc1I)[Si](C)(C)C 2340998399 SELASMQUUWDTBB-LBPRGKRZSA-N 429.827 4.846 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)c(C)c1 20905250 DCKWIDYKNNGLOW-ZMOGYAJESA-N 430.537 4.752 30 10 IJEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 41432639 CAHLRRMFDIKNFW-UUYOSTAYSA-N 445.427 4.642 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1cccc(C(=O)O)c1 101132644 MKRFHHPIQBYTLD-PMDYYOJLSA-N 431.311 4.771 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 102722242 JOQXVXYSLUWUFS-RKKARLDVSA-N 446.503 4.915 30 10 IJEE Cc1cccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)c1 169968160 URALHHNJGPNFDH-VWLOTQADSA-N 441.483 4.826 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccs2)c1 169989524 BNLAEWMBJUIRIM-NRFANRHFSA-N 437.492 4.717 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccccc1F 170071448 NDURWEMYCUSSCT-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccco2)c1 170089936 PTCODNNYEASRQA-QHCPKHFHSA-N 445.471 4.786 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@@H]2c2ccco2)cc1 170096341 CULDRJSULYIJJO-HSZRJFAPSA-N 431.488 4.672 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(OC(C)C)c1 170152694 IAUCCKKAFVHMLR-XMMPIXPASA-N 449.547 4.577 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)cc1OC 170156521 WGOZGRUMKXOTPW-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)ccc1Cl 170168980 QDPFOUWGBRCDQS-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccn2)c(C)c1 170175676 SAGUGOVIIAOFEQ-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccn1 170182267 DOFQEDPJXVKRLR-IBGZPJMESA-N 426.900 4.573 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccnc1 170189188 JKDHWGOVIRLRCV-JOCHJYFZSA-N 428.488 4.798 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2cccnc2)cc1 170189304 HTYWFPYNFWJRQE-HSZRJFAPSA-N 428.488 4.962 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)c1 170231129 JATSTWLEIMGOJG-XMMPIXPASA-N 442.515 4.895 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@H]1c1ccc(Cl)cc1 170236117 IBYWKNLTOJCAEA-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCO2 170237484 TVAWWWGJSPYSCI-OAQYLSRUSA-N 435.476 4.601 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2C)c1 170274994 XDGNHYNGHHCOPP-XMMPIXPASA-N 442.515 4.957 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccco2)c(C)c1 170290705 QNAQXNUQKSAEIU-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2sccc2C)c1 170315740 JHBJZFDNVXCHQX-QUCCMNQESA-N 441.549 4.603 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2sccc2C)c1 170316809 OJPSXSDHKDZMBR-FQEVSTJZSA-N 434.517 4.629 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1sccc1C 170317800 PILOUORGYKYGLH-FQEVSTJZSA-N 443.565 4.803 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170327084 HDUCGOMRCNHILD-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccncc1 170421153 DWOOXQUYHTZKIO-FQEVSTJZSA-N 438.405 4.879 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc2ccccc2c1 253573884 RXUSNBNQDRRDGR-UHFFFAOYSA-N 445.504 4.923 30 10 IJEE O=C(CSc1ccc(N=Cc2cccnc2Cl)cc1)Nc1ccc2c(c1)OCCO2 254492219 FWRKJQWSPFSUQP-UHFFFAOYSA-N 439.924 4.988 30 10 IJEE CC(C)(C)c1nn(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c(O)c1CCC#N 447792851 AKIYYNFRQUMCFX-QHCPKHFHSA-N 442.563 4.517 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nccn1Cc1ccc(OC)cc1 488811788 SWONTIBLHFMTRP-QGZVFWFLSA-N 427.595 4.697 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 508999546 HHZWQNKTUIBNOR-UHFFFAOYSA-N 434.441 4.635 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCSc3ccccc32)nnc1-c1ccccc1F 514357796 ARJXVABCLVVXOM-HNNXBMFYSA-N 440.569 4.890 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)c1OC 526607059 NANUJRQBXRIVGC-JOCHJYFZSA-N 430.435 4.772 30 10 IJEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C)cc2)cc1[N+](=O)[O-] 526804010 BALHZZLLEBJNSM-XKZIYDEJSA-N 425.514 4.766 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 571365265 LHUPBDUGEZDCBV-SDHOMARFSA-N 443.595 4.815 30 10 IJEE C=C(COC)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 686827249 SHOGIWCSHOWMJR-QHCPKHFHSA-N 445.648 4.507 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)[C@@H]2CCCN[C@H]2C1(C)C 693777415 YDCFHVYDXLDEGT-SOIKWTOOSA-N 434.378 4.861 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1)NCCC 721951303 RZYWRDRCWMUZLC-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 744029167 PPOAJUMAWKLAHI-JOCHJYFZSA-N 447.579 4.891 30 10 IJEE C=CCn1c(Cc2ccccc2)nn(CN2CC=C(c3ccc(Cl)nc3)CC2)c1=S 773262337 ZLCMYXCOJBXIRD-UHFFFAOYSA-N 438.000 4.986 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 780076102 WCXNJSUWPGLXQF-IRXDYDNUSA-N 431.467 4.599 30 10 IJEE C[C@H](NC(=O)CCC(=O)N1CCOc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 782485257 GBZBCJZZIDELPX-IBGZPJMESA-N 439.515 4.608 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2ccccc2C)c1)c1ccc(Cl)cc1 810472219 GHUPRWPXJCDQSR-HSZRJFAPSA-N 432.907 4.657 30 10 IJEE Cc1ccc(N=Cc2cc(Br)c(N3CCOCC3)o2)c(Br)c1 1084111373 CHTNLKDZUARQCG-UHFFFAOYSA-N 428.124 4.700 30 10 IJEE COC(=O)c1ccc(O)c(N/C(=N/[C@H](C)CCc2ccccc2)N2C[C@H](C)C[C@@H](C)C2)c1 1088665041 PNSQHKJHMSLHBI-VAMGGRTRSA-N 437.584 4.946 30 10 IJEE CCCOC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 1125509604 AWRHDZZQKSSCIH-AWEZNQCLSA-N 429.314 4.705 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)n[nH]2)c1C 1136446077 VKIBVVJBLDTMNG-UHFFFAOYSA-N 440.507 4.581 30 10 IJEE Cc1cc2c(NC(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)n[nH]c2cc1C#N 1164584387 BZKHDSWIYFCWBO-UHFFFAOYSA-N 429.427 4.943 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@H]1CN(C2CCCCC2)C(=O)O1 1189012267 BILCFMKEBLQOKX-HXUWFJFHSA-N 442.585 4.597 30 10 IJEE C#C[C@H](NCc1nc(N(C)C)n(-c2ccccc2)c1Cl)c1ccc(Br)cc1 1205988328 GHMZMUVJKYRJFI-SFHVURJKSA-N 443.776 4.818 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccnn2CCc2ccccc2)c1 1209214567 VSPPIOTVYVBPBL-UHFFFAOYSA-N 441.556 4.503 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](Cc3cccc4ccccc34)C(=O)OC)cc21 1209767730 KYWGBPLRPZXBEQ-OAQYLSRUSA-N 442.519 4.529 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H](O)c3cccc4ccccc34)c2)s1 1222125247 CPYFIGGBTCDSRD-HSZRJFAPSA-N 427.529 4.973 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(Cl)cc1F 1275499323 WTFWYXKXEMWPDB-MHECFPHRSA-N 448.925 4.975 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(CCOC)CCCC1 1286275623 OQQULXCVPZYJQR-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(OCC)CCCC1 1286283688 TYLATGUAPZSRHM-HNNXBMFYSA-N 449.368 4.654 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCOc1ccc(C)cc1 1286368213 IKAHTOMGMFRWHJ-UHFFFAOYSA-N 445.386 4.616 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1286619852 DTLVNQZSCCMPIS-PBHICJAKSA-N 425.360 4.685 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1286621937 KTQFJDAJZZKNSF-MJGOQNOKSA-N 443.979 4.620 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286635893 FRSZZTWDJOGJLS-IBGZPJMESA-N 443.020 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1286668813 WAKYOSSIXADGBJ-GOSISDBHSA-N 425.621 4.663 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1286685390 UAISJEJHJDQBBX-OAQYLSRUSA-N 446.599 4.588 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1c(CC)noc1C 1286760750 POZZZSYRECVVRR-UHFFFAOYSA-N 442.567 4.791 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1286835287 RNFHDYXYJWSFQI-RTBURBONSA-N 430.593 4.932 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1)C(=O)OCC 1287775637 DNVRFVYCWOQHRU-CQSZACIVSA-N 446.878 4.557 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC=CO1 1289274948 DTFXRQYOKMBXEL-XFQXTVEOSA-N 443.979 4.977 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1293361745 BGDFEYYFCRBOKF-DHIUTWEWSA-N 434.632 4.954 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccsc1)N(C)C)C1CCCCC1 1298023047 APMOGFQELMZYGM-JOCHJYFZSA-N 434.613 4.950 30 10 IJEE C#C[C@@H](NC(=O)CCC(=O)c1cc(Br)ccc1OC)c1ccc(Cl)cc1 1298925366 FJPQESJYWBIUGO-QGZVFWFLSA-N 434.717 4.565 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)c1ccccn1 1300283532 NMGVRVLXZNILFJ-MSOLQXFVSA-N 433.625 4.962 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1ncc(C)s1 1300324446 FPBHQOZAOXHWCG-IAGOWNOFSA-N 425.627 4.905 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1Cl 1300970395 STPDUJYXALDPAC-YLJYHZDGSA-N 432.996 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301141248 KBALFHCKZRDDRN-IBGZPJMESA-N 439.604 4.993 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2CCC[C@H]21 1301245999 LFAPUVYRZGZYMA-VQIMIIECSA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC(F)(F)C1 1301281445 NJBADWWZOBQORR-ZDUSSCGKSA-N 441.320 4.774 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)C1CCCCC1 1301363045 NDHQPRKNNBLMFZ-NTKDMRAZSA-N 444.645 4.758 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCN(CC)C1 1301374948 HPBALQGDQDYBLN-RBUKOAKNSA-N 425.646 4.652 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCCCC3)C2)cc1 1301525442 ICKNXIFAYUEYBG-QFIPXVFZSA-N 437.632 4.544 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1301594365 AZQJNDIWHXLBLF-UNMCSNQZSA-N 427.662 4.810 30 10 IJEE Cc1ccsc1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1304127534 BMLVYQJLOXTZOE-SJORKVTESA-N 444.605 4.507 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 1304459582 LWSMAUDWZBUJKX-UHFFFAOYSA-N 438.524 4.806 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC(C)(C)C)C2CC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1307238067 STRVYVAYEKURRO-FZKQIMNGSA-N 446.638 4.981 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CC[C@@H](C)C1 1316075282 BCHNVPRDJNOLIO-CMCXCUNFSA-N 425.552 4.596 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCc3cc(C(C)(C)C)ccc3C2)ccc1OC 1318466876 BRMVODAYQXQZAP-JOCHJYFZSA-N 435.568 4.942 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 1324816579 ZMIIDPKNGCRRSJ-QGZVFWFLSA-N 443.466 4.539 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)c1 1352621526 SMNXBXRQPZHQAD-JOCHJYFZSA-N 426.491 4.702 30 10 IJEE C=CCN(C(=O)[C@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1)c1nc(-c2ccccc2)cs1 1352764479 STPFLAPBYZFRQE-VXKWHMMOSA-N 449.624 4.577 30 10 IJEE C=CCc1ccc(OCC(=O)NC(C)(C)Cc2ccc(Br)cc2)c(OC)c1 1358424142 HQHCATAEESHGGI-UHFFFAOYSA-N 432.358 4.703 30 10 IJEE C#CCCCCn1c(N2CCc3sccc3[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1358917217 KBGJVOFOCKASHX-YKSBVNFPSA-N 442.629 4.698 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(OC2CCCC2)c1 1358939125 QSYRJXNWONYGNM-HSZRJFAPSA-N 429.568 4.654 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCn1ccc2ccccc21 1358988786 CWVLLEJJUIMVEF-UHFFFAOYSA-N 442.954 4.501 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)C(F)(F)F 1359003072 XEDJDMWLBMFRIU-UHFFFAOYSA-N 447.274 4.895 30 10 IJEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359053790 YJKOFUIOUQFGGS-XLIONFOSSA-N 435.424 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CC=CCC1 1359109117 PVQUMMRHOPALFL-UHFFFAOYSA-N 425.646 4.940 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CC1(N(C)C)CCC1 1359110229 FNQLGQUFXUQJDT-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1359120166 MAJRWAHZMWOZBC-QZTJIDSGSA-N 429.996 4.696 30 10 IJEE C=C(C)COCCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1359130398 ITYNLVZTXDZTBA-UHFFFAOYSA-N 433.478 4.532 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2csc(C(C)(C)C)n2)CC1 1359166617 AFBNPMVWJGLCIM-UHFFFAOYSA-N 442.658 4.787 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1cc(C)oc1C 1359234102 DGBVDPNFSPMHSN-MYYSRTQBSA-N 440.613 4.871 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1359241803 DPMPJTYZZKBNTD-UHFFFAOYSA-N 439.007 4.865 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nccc(C(F)F)n1 1359244680 MNKREJOUONDLCN-UHFFFAOYSA-N 436.919 4.622 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1CC1CCCCC1 1359254790 CPNUNLPBJJSQKC-UHFFFAOYSA-N 448.615 4.921 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1359261134 XRTWYLHXSSBQDD-SSEXGKCCSA-N 434.625 4.746 30 10 IJEE CC(C)C(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC#N 1360475431 APTSABXBJLSELQ-GOSISDBHSA-N 446.640 4.813 30 10 IJEE C#CCN(C(=O)c1csc(-c2cc(Br)ccc2OC)n1)C1CCCCC1 1434952437 HHGLAFVJVLJQGO-UHFFFAOYSA-N 433.371 4.989 30 10 IJEE C=CC1(CC(=O)N2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)CCCCC1 1435853652 BZQFOTCSRAQKQY-HSZRJFAPSA-N 437.584 4.924 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CS[C@@H](C)C2)nnc1-c1ccc(Cl)cc1Cl 1436749283 XQBXUPDLPWXFKY-AAEUAGOBSA-N 443.425 4.540 30 10 IJEE C=C(Br)CNC(=O)c1cccc(OCc2ccccc2Br)c1 1442590971 HQOOQQSBTBTDRQ-UHFFFAOYSA-N 425.120 4.667 30 10 IJEE C#CCN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)[C@H]1CCOc2ccc(Br)cc21 1456443998 GHZSVUBOIZHMSK-ILZDJORESA-N 438.312 4.950 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(O[C@@H](C)CC)nc(C)n1 1458269850 YHEUFEYFAJCUHK-INIZCTEOSA-N 425.558 4.778 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)C1 1461139991 NYMMJLRVBXCBCV-HXUWFJFHSA-N 426.626 4.883 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC 1461204519 PSNOWLPGPCIAJM-YLJYHZDGSA-N 429.866 4.538 30 10 IJEE C#CCN(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H]1CCCc2ccccc21 1463015340 LWHCIQAOUXXHTP-GOSISDBHSA-N 425.319 4.727 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 1464650045 OPPNGVBDOLUVSC-UHFFFAOYSA-N 436.552 4.687 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2cccc(SC)c2)cn1 1469906537 CGDNEGAFEFTPCK-IBGZPJMESA-N 440.569 4.792 30 10 IJEE C=CC[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1C)C(=O)OC 1472935303 HVKZFDQZBFZUDK-KRWDZBQOSA-N 428.579 4.891 30 10 IJEE C=CCN1CC[C@H](Sc2nc3ccccc3c(=O)n2-c2ccc([C@@H](C)CC)cc2)C1=O 1472945867 OMIQFUNQJXCQJB-JTSKRJEESA-N 433.577 4.778 30 10 IJEE N#CC1(CCN2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)CCCCC1 1473107354 GHWDUWQUEZDNKZ-RUZDIDTESA-N 433.571 4.775 30 10 IJEE N#Cc1cccc([C@@H](O)CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 1473295192 CWTUKSQQAJTOFH-IZZNHLLZSA-N 431.967 4.652 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N[C@H](c3c[nH]c4cccc(F)c34)C(F)(F)F)C2=O)cc1 1473579333 BTGVXTSNVBRINU-AZUAARDMSA-N 430.405 4.567 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 1477387206 FYFKDLFKHOKRKZ-SANMLTNESA-N 442.538 4.751 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1)c1ccc(Br)cc1 1478896414 NQGIYWGDAHDVTP-LJQANCHMSA-N 434.422 4.665 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1507556907 LXMKKLNSTTYILH-WSTZPKSXSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1507583991 ZMRZHCIQQPIICK-ISKFKSNPSA-N 442.611 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1507801889 YTXDQFBIMPKEJR-AQCRLBJHSA-N 441.645 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)OCCc2sccc21 1507819189 OZWQJKMLWRLIFF-XMMPIXPASA-N 438.597 4.906 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@](C)(O)c1cccs1 1507819512 QTMVUSGKCWYGGY-QFIPXVFZSA-N 448.539 4.918 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)c1ccco1 1507840205 XWZAUBAKWYFKBD-GOSISDBHSA-N 432.528 4.718 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1 1507924352 LVUJJXBLJHJYQU-XMMPIXPASA-N 449.643 4.990 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1507926321 RDGZJQFOBWVRCT-PMERELPUSA-N 444.004 4.724 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C)C1)C(C)C 1508011365 QKRPRORGJCZPFB-DENIHFKCSA-N 444.023 4.522 30 10 IJEE CC1(C)CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1510303920 HCWIWUSTPXIVSY-PGRDOPGGSA-N 447.505 4.537 30 10 IJEE C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1 1523261409 BKBISDDWSDIIJN-VBKZILBWSA-N 434.433 4.982 30 10 IJEE C=CCC1(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CCCC1 1525388383 POHWFRYWLVZUAC-SFHVURJKSA-N 433.390 4.814 30 10 IJEE Cc1cccc(N2C[C@H](C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)CC2=O)c1C 1526174388 ADVLVQLJOQXSSR-VQIMIIECSA-N 443.469 4.616 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCCOc2ccccc2)c(OCC)c1)c1ccc(F)cc1 1528048205 WREALVULJOSSAY-HSZRJFAPSA-N 433.479 4.787 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 1528497496 MVEILRUWYBDLNW-CQSZACIVSA-N 428.069 4.768 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 1532322654 BYBNWGYNJMYIIL-IRLDBZIGSA-N 436.600 4.935 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(I)cc1OC 1532324707 JPQGDWCKGOQOQM-XHDPSFHLSA-N 433.717 4.818 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1532991806 WUAQPPINCUOUEQ-RUZDIDTESA-N 444.572 4.855 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cnn(C(C)(C)C)c2Br)c1 1536870121 APOXCKPYZWYTCY-UHFFFAOYSA-N 426.314 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCCCN1CCCC[C@@H]1C 1539034458 DIATWICHHZBMEX-VXKWHMMOSA-N 439.673 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1539632195 PYEDWUJVFJEGNJ-UCFCWBNQSA-N 438.616 4.993 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(F)ccc2SC)CC1 1539871313 LBVKQGJFVNKAKM-UHFFFAOYSA-N 445.608 4.508 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539953515 KGEBRMDHXAEVGQ-MRXNPFEDSA-N 446.420 4.670 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1540006189 AIFBBYFXCZOKJM-UKILVPOCSA-N 431.584 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 1540119853 LKTDALKZWYZXGP-GGAORHGYSA-N 442.600 4.587 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CC)CCC1 1540176946 IKZACBUDVHYUCZ-KDURUIRLSA-N 429.609 4.808 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](OC)C1 1540911441 XVMMQDMIBZBUGH-SJLPKXTDSA-N 432.659 4.666 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCSC(C)(C)C1 1540920013 LIRRYVFILANFPD-UHFFFAOYSA-N 432.659 4.725 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Sc1nccn1C 1542491862 GPBIDIUQKPXXMR-KRWDZBQOSA-N 430.574 4.759 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2CCCC2CCOCC2)cc1 1542502025 BIFYTAHUYDEUQN-IBGZPJMESA-N 427.618 4.824 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2sc(C)nc2C)cs1 1542967542 ACLIOYUPFGXLDI-LBPRGKRZSA-N 442.994 4.858 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C(F)(F)F)cs2)C1 1543549892 BGCJCYCMUCXDNR-ZIAGYGMSSA-N 446.502 4.823 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(COC(C)(C)C)on1 1543765444 GTKDZXUZXKHCQE-MSOLQXFVSA-N 448.571 4.793 30 10 IJEE C=CCCC[C@H](NC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)c1ccccc1 1558132952 AIWKCFFYAFTMHQ-IBGZPJMESA-N 429.586 4.924 30 10 IJEE C=CC[C@@H]1CCCN(c2nc(CN3CCCCC3)nc3sc(C(=O)OCC)c(C)c23)C1 1559231815 IRCZRQJAFKXZMU-GOSISDBHSA-N 442.629 4.955 30 10 IJEE C#CCC1(NS(=O)(=O)c2cc(Br)c(C)cc2Br)CCCCC1 1561958200 CDXFNNGHXGWSAT-UHFFFAOYSA-N 449.208 4.525 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1562640336 KBZNDALKBOOZEY-OAQYLSRUSA-N 442.441 4.926 30 10 IJEE CN(C)CCOc1ccccc1CNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1562673352 HDPFZSXDFCHZAA-UHFFFAOYSA-N 430.508 4.613 30 10 IJEE COC(=O)CC1(NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CCC1 1562953129 CWBJXCRONCLKOL-UHFFFAOYSA-N 429.929 4.970 30 10 IJEE COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)N1CCN(c2ccsc2C#N)CC1 1564110789 DDINEUUACMXYQA-SFHVURJKSA-N 447.004 4.901 30 10 IJEE C#CCC1(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)CCC1 1585005416 FIYDNIQNYPSVGV-UHFFFAOYSA-N 436.968 4.742 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCSC1 1588181088 OKTQCQMGJHBLPF-RTBURBONSA-N 443.016 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1589544149 FLGZAJWSUVHHFP-UVWWXKGLSA-N 438.616 4.600 30 10 IJEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1593690290 JWLQWIVPTAKQIR-UONOGXRCSA-N 427.496 4.565 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(C)=O)C1 1594477660 HMWRTVSUZQWRON-GOSISDBHSA-N 429.996 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2ccc(O)cc2)nnc1[C@@]1(OCC)CCOC1 1594528290 HZEGFNSPUGBFGQ-PXDATVDWSA-N 440.588 4.580 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)C/C(C)=C\c1ccccc1 1594608551 OMAZIEVYOWNZOK-MNDPQUGUSA-N 433.556 4.902 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 1594681081 YNIOPRMHXUXZKR-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O 1602981245 PBOISYWGILGFFC-GOSISDBHSA-N 443.341 4.978 30 10 IJEE Cc1sc2nc(CS[C@@H](C)C(=O)N(O)Cc3ccccc3Cl)nc(O)c2c1C 1611650732 IQRZZUOSPVDPHU-LBPRGKRZSA-N 437.974 4.707 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CCc1ccc(Cl)s1 1613812303 GGPLHTZVVQFNDB-MRXNPFEDSA-N 444.004 4.973 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C)c3OCc3ccccc3)cc2C1=O 1617604822 HKKONGHOVQJGEL-UHFFFAOYSA-N 426.472 4.608 30 10 IJEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC2(C)C)cc1Br 1619183098 FQGRNANRRDLXEE-INIZCTEOSA-N 444.377 4.502 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 1621766327 FKTJAPWYPIEOPQ-GOSISDBHSA-N 426.435 4.502 30 10 IJEE C#CCOc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 1623490665 FESVZWSJLLCNBW-UHFFFAOYSA-N 446.497 4.524 30 10 IJEE C#C[C@H](NC(=O)c1ccoc1COc1ccc(C=O)cc1)c1ccc(Br)cc1 1625077660 FIRURQFDWAMQAX-FQEVSTJZSA-N 438.277 4.538 30 10 IJEE CC(C)N(CCC#N)C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 1627170076 HEQJZFJVDQWXBU-UHFFFAOYSA-N 429.183 4.590 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 1629302010 MKMLVPHDCCMSHF-RTBURBONSA-N 436.980 4.619 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](C(C)C)Cc4cc(OC)ccc43)n[nH]2)c1C 1630420379 YJSBJSPGZQWSSG-LJQANCHMSA-N 433.556 4.560 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC[C@H]1Cc1ccccc1 1637150331 LYZIFROIMLOUTR-XZOQPEGZSA-N 432.564 4.884 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1 1637573836 BPKDNFDAVHASBO-LJQANCHMSA-N 447.576 4.899 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 1641227610 FIRNCCKWZFAJFY-LEWJYISDSA-N 444.959 4.937 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)c1ccccc1 1648461993 VIDIPBSOULHCST-SSEXGKCCSA-N 426.538 4.838 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1OCC 1651446247 UBIWLVYTEUXTFP-UHFFFAOYSA-N 435.318 4.919 30 10 IJEE C#CCNC(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 1652502201 GECMXKNBBPMRHR-MRXNPFEDSA-N 439.968 4.821 30 10 IJEE C=CCn1c(SCOC(=O)N2CCCC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1652572725 XONDZVHLRZSKDI-UHFFFAOYSA-N 441.578 4.901 30 10 IJEE N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1Br 1653515131 CIAOTAFSKUEBJS-UHFFFAOYSA-N 427.323 4.716 30 10 IJEE C#CCN(Cc1cc2ccc(F)cc2nc1O)[C@@H]1CCOc2ccc(Br)cc21 1657514792 XKENXCMCKQHVAB-HXUWFJFHSA-N 441.300 4.801 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2)c1ccc(-c2cccc(C#N)c2)cc1 1661353635 IDLVZURRTCWZFZ-QGZVFWFLSA-N 432.545 4.978 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 1661737303 CWVAQZYDEDNIBX-OAQYLSRUSA-N 439.581 4.702 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)c1ccccc1 1662359387 SPBCKUMMZBCMHT-LJQANCHMSA-N 433.371 4.927 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)c1ccc(Cl)cc1F 1666329124 TWZSNFVUXFMSEY-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@H](Cc2cccc3ccccc23)C(=O)OC)c1 1668204160 YVWVLWMBGBCRAI-NRFANRHFSA-N 432.520 4.948 30 10 IJEE N#Cc1cc(NC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)ccc1Oc1ccccc1 1670536486 GDSHPVKVQCZTNG-FQEVSTJZSA-N 446.894 4.931 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCc1ccccc1)CCN(C)C 1672210562 XPDLBGAIXYWGRY-UHFFFAOYSA-N 446.389 4.652 30 10 IJEE CO[C@@H]1COCC[C@@H]1CNC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1672876566 HDCGFBBMARVBEZ-AUUYWEPGSA-N 431.945 4.536 30 10 IJEE C#Cc1ccc(CNC(=O)N(C[C@@H](O)c2ccc(OC)cc2)[C@@H](C)Cc2ccccc2)cc1 1672882716 PFQVLWCWQGRNAU-KDYSTLNUSA-N 442.559 4.553 30 10 IJEE CCOc1cc(CN(C)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)ccc1OC(F)F 1682100484 CHCYNALZHYDYOD-LJQANCHMSA-N 429.467 4.777 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1ccc(Cl)cc1 1683502869 WPDJQMMWUCVHRZ-RPWUZVMVSA-N 445.950 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1690262951 UKJLYQUHHUOOQL-XUZZJYLKSA-N 448.615 4.984 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(OCCC)nc2)CC1 1690380047 ABSFNADLNIAQQA-UHFFFAOYSA-N 433.556 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ncc(Cl)n1C 1690422527 RIOCPWXJLMLNOZ-UHFFFAOYSA-N 434.375 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(CCOc2ccccc2)CC1 1690430684 QNRXXFQVOYQMLE-UHFFFAOYSA-N 437.632 4.739 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1690432294 AHMOHGDLXFOQAH-ROUUACIJSA-N 429.634 4.787 30 10 IJEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 1690470677 IJEYQRLJXXTDSZ-UHFFFAOYSA-N 435.563 4.569 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1690477599 DDQJUAOBVSPEOX-UHFFFAOYSA-N 443.567 4.934 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1695469087 HHDZHWNEGHXNBW-WWPVKYPJSA-N 439.604 4.663 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1705488747 FOESFMCCFFRTRX-MRXNPFEDSA-N 432.597 4.881 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCCN1CCCC 1705490800 QSFVVUZKZYGSOJ-RBBKRZOGSA-N 446.599 4.713 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCOC(C)(C)[C@@H]1C 1705509907 PRBXJHMEFGAHHF-MSOLQXFVSA-N 426.630 4.939 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705527582 CPWOMGWDUYFSOX-NHCUHLMSSA-N 442.991 4.804 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705604927 WUPVLOOQFSYMQO-LEWJYISDSA-N 439.604 4.583 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705681492 WDQGOZDPKDGCAB-LZQZEXGQSA-N 433.394 4.590 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(Cc1cccc(F)c1)C(C)C 1705686408 YDPPVZQFXUCISL-KRWDZBQOSA-N 437.357 4.635 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCC(F)F 1705697949 YZVJCQRHOULDFM-FZKQIMNGSA-N 428.886 4.810 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1nc2ccccc2s1 1705703487 UVKUXFNLRWRBIY-JTSKRJEESA-N 425.602 4.704 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)CC1CC(F)C1 1705708651 FOUBZNBYLHEGCS-VCXAXHNFSA-N 442.579 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H](C)c1ccco1 1705709511 QJVFSRAKJOHWLR-SKPFHBQLSA-N 436.556 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)c1nc(-c2ccccc2)no1 1705715909 SWLPHJFLGBUUQA-ICSRJNTNSA-N 436.560 4.776 30 10 IJEE C=C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 1705769415 RUKPHWFKDYWNKF-QHCPKHFHSA-N 437.632 4.869 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1705777593 HJXCQBRZWWBXCE-HOYKHHGWSA-N 443.039 4.906 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1705787131 IQSOIXIMCMKHBU-ROUUACIJSA-N 444.023 4.946 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)c1ccccc1 1705797576 YNLNOBCHRPGNMT-SXLOBPIMSA-N 436.522 4.993 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705827361 CAHKEYFBRCAZGE-UHFFFAOYSA-N 448.615 4.576 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@@H]1C 1705881993 IFQPBYHFCWHZTO-LSDHHAIUSA-N 439.423 4.844 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)S[C@H](C)C2)cc1 1705910389 AOXPPFXCMITJFW-QZTJIDSGSA-N 440.638 4.874 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(C)C)C1 1705941392 IXGPDDNFBQTAOG-IBGZPJMESA-N 430.618 4.754 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(F)(F)F)C1 1706934577 CCBUZVMLEOKWQM-NRFANRHFSA-N 428.462 4.966 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1722316823 NANRDXLYABSJKY-UHFFFAOYSA-N 439.007 4.522 30 10 IJEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1722319709 PGLMKBRPIMNSFZ-RTBURBONSA-N 427.618 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN(C)C(C)C 1722469661 INYQMQKHLYJFKN-RUZDIDTESA-N 439.673 4.998 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C(C)C)C1 1722487906 VYHSVNPDUFJLCD-GOSISDBHSA-N 428.378 4.672 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1722533143 IZXOEEAHSPHYAM-IBGZPJMESA-N 436.604 4.720 30 10 IJEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCSCC(C)C)CC1 1722565764 ZLJCJLNSBFYCBJ-UHFFFAOYSA-N 438.601 4.530 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccccc2)C1 1722610186 MQVITAGYSBKBCY-KRWDZBQOSA-N 426.362 4.996 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1 1722664063 OSPAQRJENUDCMY-QGZVFWFLSA-N 443.617 4.982 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)S[C@H](C)C1 1722734237 ABINWUHXXGCBCW-CALCHBBNSA-N 425.627 4.743 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCc2ccncc2)cc1 1723404677 BFWOVDMNERPHJW-UHFFFAOYSA-N 444.583 4.748 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCCSC 1740540359 YWFCTSIKMCUBOR-MRXNPFEDSA-N 425.627 4.978 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCCCC2)CC1 1740569333 BVZWHYANBGLPIC-UHFFFAOYSA-N 443.998 4.996 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1740585044 USDQXFVQVNDODG-AZUAARDMSA-N 442.007 4.533 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(CC)noc1C 1740602626 XYMZMMKKWYNDTL-UHFFFAOYSA-N 425.945 4.790 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1CCCC 1740636524 SSTJTIQBTDVDPR-VWLOTQADSA-N 445.655 4.970 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(=C)CC1 1740738448 LAWHTWKFHZYJEM-UHFFFAOYSA-N 425.277 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCN1CC 1740766352 FZYCPNKQXZHIGJ-UXHICEINSA-N 429.584 4.834 30 10 IJEE C=C(Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C)C1)c1ccccc1 1740796408 AOCKFBGEBHNKKX-HNNXBMFYSA-N 445.386 4.708 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(OC)c(F)c1 1740893995 FZNQGTKJTVZQGS-UHFFFAOYSA-N 437.338 4.587 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H](C(C)C)N1CCCC1 1740920477 OUHUSHUFUCYSKZ-DHIUTWEWSA-N 441.595 4.582 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740998910 WWAPKNCIBYQTJD-GOSISDBHSA-N 439.000 4.908 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)c1nccs1 1749056565 LHAVKYBMVTYDMZ-IVZQSRNASA-N 443.523 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CCO[C@@H]1C1CC1 1749161593 BCGUYZPDOFBACT-VWNXMTODSA-N 430.543 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCOCC1CCOCC1 1749473243 BYXYVKDYSUIZBH-UHFFFAOYSA-N 426.605 4.698 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCOC[C@@H]1C 1749537767 ALPOSQVETMONBX-RXVVDRJESA-N 437.975 4.859 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CC[C@@](C)(CC)O2)C1 1749697366 JGVWSWXEFXBXNN-ICLZECGLSA-N 438.616 4.949 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC[C@@H](C)C1 1760148528 CPKANQOBBZMCNT-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC(C)C)C1CC1 1760161695 NPGROGPHCZDFNX-FQEVSTJZSA-N 429.609 4.778 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](CC)N1CCCC1 1760213719 NJEDSGVSRRVZCI-DEOSSOPVSA-N 431.628 4.580 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CCC 1760301942 OPFXSALIHDNSSH-GFCCVEGCSA-N 445.203 4.580 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1ccco1 1760360580 HACGNVUKGVIQPO-SFHLNBCPSA-N 428.577 4.724 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)c2c(C)noc2C)CC1 1760405140 SWGWDOMRAWWXBV-GOSISDBHSA-N 449.599 4.883 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C2CCCC2)CC1 1760433971 XOFIBZHMKPSCFL-FQEVSTJZSA-N 441.595 4.978 30 10 IJEE C=CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1C(=O)Nc1ccc(C)c(C)c1 1760444590 LFCARNSGWMRPST-UHFFFAOYSA-N 433.560 4.854 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]2CCC[C@@H]21)N(C)C 1762160875 HGDSJHNPYHUXDA-NHTMILBNSA-N 434.632 4.952 30 10 IJEE C[C@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1762871491 DAGHUXOEEDQLLI-OALUTQOASA-N 438.595 4.640 30 10 IJEE COc1ccccc1SCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCC1(C)C 1768993114 FCQVFZIBHKRVBW-UZUQRXQVSA-N 443.592 4.847 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)c3cccc(F)c3)c2)sc2c1CCCC2 1860093877 CBQUGEPVNBNDIF-UHFFFAOYSA-N 449.507 4.907 30 10 IJEE C=C(C)Cn1nc(C)c(CCC(=O)N(CCCC)C[C@H]2CCCN3CCCC[C@@H]23)c1C 1860322422 NPEFVXKCAXKTLP-NOZRDPDXSA-N 428.665 4.902 30 10 IJEE N#Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 1860840839 QBQGZCHGLIFAPZ-HSZRJFAPSA-N 442.906 4.673 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862449796 SOOGIOZIUXNSBM-NRFANRHFSA-N 441.911 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccccc1Br)c1cccc(Cl)c1 1862452505 DMTBRQMNKFWANC-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc3ccccc23)c1 1862494569 NVCOBJPOKUXDFP-VWLOTQADSA-N 442.559 4.987 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCCCCO 1862545265 VTGOWMMGJZVPAR-XMMPIXPASA-N 433.548 4.615 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc(N)c2)=C(O)C(=O)N1CCCc1ccccc1 1862554692 IPGLFRGWWWABKA-DEOSSOPVSA-N 426.516 4.788 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)cc1 1862605171 NJMYPUVFARSOES-WSCWJOSJSA-N 447.531 4.923 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)c1 1862674344 MFNXMYFVFCMERU-HSZRJFAPSA-N 431.463 4.927 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 1862675155 CRSKVMVAPKTDTP-QFIPXVFZSA-N 437.467 4.706 30 10 IJEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862850628 WFGPSJCFKDAGMO-UHFFFAOYSA-N 440.462 4.980 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1C 1862874783 MHRUJIMJHHYRRF-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE CN(C)c1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863124780 QDNQRYSOUFMOQE-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863492119 XBZLBIVPNJSQGK-UHFFFAOYSA-N 426.520 4.536 30 10 IJEE N#Cc1cc(Br)c(NC(=O)c2cc3ccccc3cn2)c(Br)c1 1866232180 LGELMKIFBAGAEO-UHFFFAOYSA-N 431.087 4.884 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccccc3)C2)nc(-c2cccc(OC)c2)n1 1869312907 AKHLIWMTQSXLFT-XMMPIXPASA-N 442.563 4.909 30 10 IJEE C=CCOc1ccccc1OCC(=O)N1CC(Oc2ccc(-c3ccc(C)cc3)cc2)C1 1869897700 OPOBNRYYLCRSRZ-UHFFFAOYSA-N 429.516 4.895 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(C)c1 1870152895 QKBWLDOTGCNALQ-RVDMUPIBSA-N 449.514 4.987 30 10 IJEE Cc1ccc(SCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCN(C)C)cc1 1870232658 DLQDRJSZMIYVPL-UHFFFAOYSA-N 447.604 4.851 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc([C@@H](C)CC)cc2)c(=O)cc1CN(C)CCCC 1870661439 FHOHJQJOJIISJV-FQEVSTJZSA-N 439.600 4.797 30 10 IJEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CNc2cccc(C)c2)cc1=O 1871010731 QSLYYWDKCVNEJI-SANMLTNESA-N 441.575 4.618 30 10 IJEE Cc1c(OC(=O)Cc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871372037 WGDORIJCHGYBES-UCQKPKSFSA-N 431.463 4.964 30 10 IJEE CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)c1 1871438821 TVFKDDHWILENFN-CFRMEGHHSA-N 427.456 4.831 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CCCC)cc1)C(C)C)S(=O)(=O)c1cccs1 1871818661 RNMGUROFUJRIGF-OAQYLSRUSA-N 434.627 4.931 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccccc1 1872219497 MEBUPOKYZQWZBX-QFIPXVFZSA-N 428.598 4.968 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(CCCN(C)C)C1=O 1873102141 GDQTXARMFXLPPM-UHFFFAOYSA-N 427.633 4.757 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@H](C)CC)c2)=C(c2ccc(C)c(C)c2)C1=O 1873364078 MFLMNOYIZBYKGE-GOSISDBHSA-N 432.520 4.637 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1/N=C/c1ccccc1C(=O)O 1874225413 JQAYLXHGEPGFAU-BUVRLJJBSA-N 438.553 4.599 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(SCCCO)nnc1-c1ccccc1Cl 1874368027 KMSPTQGGGZIXDJ-OEAKJJBVSA-N 430.961 4.742 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2ccccc2)c1 1874416110 YYIDVFHNNVTCMD-YZSQISJMSA-N 441.560 4.790 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874475293 SFJAOYMUSOTTDU-YDZHTSKRSA-N 443.960 4.593 30 10 IJEE CCCOC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1c(OC)ccc2ccccc12 1874486491 UTEUXUFGVRKLGI-ZVHZXABRSA-N 440.569 4.665 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2cccc(Br)c2)cc(Cl)cc1OC 1874575928 NUEXYOBPAWAIMY-VOTSOKGWSA-N 439.689 4.559 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1OCC(=O)Nc1nccs1 1874595071 SEWPSUBIPRIBNW-SOFGYWHQSA-N 428.897 4.719 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1 1874606108 WJRQJIAEFKIJBX-ZRDIBKRKSA-N 431.488 4.926 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3)ccc2OC)cc1 1874696577 GPKXDYQHINFMKI-LNKIKWGQSA-N 448.471 4.593 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 1874741312 ODDYEEXHVOLOFR-SFHVURJKSA-N 427.928 4.960 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)CCOC 1875179955 JWPXIIHASFKFIF-SOFGYWHQSA-N 432.900 4.894 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)c1 1890687650 HWEUPAPTENSLAA-QFIPXVFZSA-N 425.532 4.793 30 10 IJEE CN(CC1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1)c1ncccc1C#N 1891038839 FGHVGMSWDAUZPK-UHFFFAOYSA-N 443.016 4.854 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(C)CC1)NCCC 1922073363 CSAGFRSBIVKUQB-HSZRJFAPSA-N 445.648 4.507 30 10 IJEE CC(C)(c1ccc(C#N)cc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952478574 GXZOZJNGYHWPEF-DEOSSOPVSA-N 440.499 4.828 30 10 IJEE Cc1ccc(C(=O)Nc2cccc(C=C(C(=O)C(=O)O)c3ccc4ccccc4n3)c2)cc1 2040457111 JMJNPSUTMGHFRE-UHFFFAOYSA-N 436.467 4.990 30 10 IJEE COc1cc(C=CC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(Br)c1O 2040817609 ASBSGEKNHSTKIF-UHFFFAOYSA-N 433.302 4.589 30 10 IJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2054187513 CKTIQHCMVSOYIQ-MZYLBHOOSA-N 441.616 4.579 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)cc1F 2078995026 RWCZLAVPPSEJCS-QQZXWGPFSA-N 429.277 4.650 30 10 IJEE CCc1nn([C@H](c2ccc(OC)c(C)c2)C2CCC2)c(I)c1C#N 2079935459 WXTSHVLMFWDGCS-SFHVURJKSA-N 435.309 4.628 30 10 IJEE CC[C@H](C)[C@H]1CSC(=Nc2ccc(I)c(Br)c2)N1 2081319184 LQWRYBJHJOQXCD-QPUJVOFHSA-N 439.160 4.792 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 2174814682 KKEHGLHKZPOHHK-APWZRJJASA-N 434.378 4.937 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1Br 2180956711 IBSSIOAGGPVTLM-CYBMUJFWSA-N 449.267 4.713 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)n1 2190477373 DWSISSGVQFUPJQ-GRSYGWAWSA-N 448.416 4.509 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CCC[C@](Oc3cc(Br)cnc3C#N)(C1)C2 2198832491 SQUVBBVKPMKQEZ-IAMHBRQHSA-N 436.350 4.711 30 10 IJEE C=C([C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221680937 JDYNVDDRJVYRDI-SJORKVTESA-N 427.459 4.646 30 10 IJEE C=CC[C@@H](COc1ncc(C(F)(F)F)cc1Br)NC(=O)OC(C)(C)C 2224054690 MTOASKRVKCHNMD-NSHDSACASA-N 425.245 4.711 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(CCF)CCCN1C(=O)OC(C)(C)C 2235723829 FHBOUNFLYYYJBZ-WIYYLYMNSA-N 439.369 4.518 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](N)C#Cc1ccccc1Br 2235726112 JRPDBPRVOLJIFA-PMACEKPBSA-N 435.406 4.992 30 10 IJEE CCC[C@]1([C@@H](N)C#Cc2ccccc2Br)CCCN(C(=O)OC(C)(C)C)C1 2235730358 OJYYTWAMSHDCOZ-UGKGYDQZSA-N 435.406 4.945 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@H](N)C#Cc2ccccc2Br)c1 2235735647 ZXWUWYKHLHCEIX-GOSISDBHSA-N 431.330 4.856 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@]1(C)C=CCN1C(=O)OC(C)(C)C 2237103946 SJUXWLVMESKEPM-KNQAVFIVSA-N 433.390 4.734 30 10 IJEE Cc1cnc(Nc2ccc(Br)c(Cl)c2F)c(B2OC(C)(C)C(C)(C)O2)c1 2241047213 RJVYYLCWBTUYFS-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CCC1(C#N)CCN(C(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2243911124 OMLXINKRMMMLBV-UHFFFAOYSA-N 445.563 4.846 30 10 IJEE C=CC[C@@](C)(OCCN)c1sc(Br)c(Br)c1Br 2252181519 MFPIWTJOIQWIED-LLVKDONJSA-N 448.018 4.802 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1F 2267112241 DAZXLYKAEIFLCW-WKILWMFISA-N 448.344 4.661 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(CC(=O)C#Cc1ccc(Br)cc1)C(F)F 2278791743 TVUDZZPDIGYEAV-LJQANCHMSA-N 430.289 4.556 30 10 IJEE N[C@@H](C#Cc1ccc(Br)cc1)c1cc(Cl)ccc1I 2278796057 LGKWKUWABXNXCI-HNNXBMFYSA-N 446.513 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(c3cc(Br)c(C#N)cc3F)[C@@H]2C1 2290264020 NQTYCYFUAGGNNV-SCLBCKFNSA-N 438.341 4.686 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(OC)c(O)c2)C1=O 2293261771 BWIFTZZNFKCPRX-UHFFFAOYSA-N 431.897 4.598 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@]2(N)C#Cc2cccc(Br)c2)C1 2296279319 NODPYLIBWGGMKI-VXKWHMMOSA-N 433.390 4.699 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@H](N)C#Cc1ccc(Br)cc1 2296290316 BDFSUBDIBHRXSV-VQTJNVASSA-N 435.406 4.849 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2296302934 PLHHRTOGKKHJTE-JKSUJKDBSA-N 449.311 4.624 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2296310685 MSCNSYGWYJRVIM-XKGZKEIXSA-N 435.406 4.814 30 10 IJEE N#Cc1cc(N2CCCC[C@H]2c2nc(-c3ccncc3)cc(=Nc3ccccc3)[nH]2)ccn1 2296584837 RXFQKIYQKDXRLV-DEOSSOPVSA-N 433.519 4.702 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccncc1)C2=O)c1ccc(Br)cc1 2314437595 QQXIYYQVLZYESN-UHFFFAOYSA-N 436.261 4.722 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)N[C@@H](C)c2ccccc2)cc1 2322457310 UICNNBPZTOUFBW-IBGZPJMESA-N 445.515 4.856 30 10 IJEE COc1ccc(OC)c(C=CC(=O)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)c1 2323486514 DNQPQPSHFIIMRS-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE COc1cccc(C=C2Oc3c(CN4CCOc5ccccc54)c(O)cc(C)c3C2=O)c1 2324155779 QBBTUJSNFKHDNZ-UHFFFAOYSA-N 429.472 4.724 30 10 IJEE Cc1cc(O)c(CN2CCC(N3CCCCC3)CC2)c2c1C(=O)C(=Cc1ccccc1)O2 2324210137 JOLOLHVJVIZLNG-UHFFFAOYSA-N 432.564 4.767 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2325628253 WOGPRNJTHHTTDY-MRXNPFEDSA-N 444.443 4.925 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc1OC 2325645519 HELURYDPOYXVJV-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1OC(=O)c1c(OC)cccc1OC 2325750920 VQUCHTJUKXDPOQ-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C=CCSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(CC)cc1 2325921464 FLIOMMKCZLZAEA-QFIPXVFZSA-N 445.592 4.517 30 10 IJEE CCCSc1nnc(CCCOc2ccc(OC)cc2)n1N=Cc1ccccc1F 2326272373 CFFQMEYSONCBBK-UHFFFAOYSA-N 428.533 4.822 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1N=Cc1cc(Cl)c(OC)c(OC)c1 2326661162 RJTOSCXMHMNUQK-UHFFFAOYSA-N 441.944 4.557 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1ccc2c(c1)OCCO2 2328559556 HBWCVAGGTHVPIY-UHFFFAOYSA-N 438.553 4.629 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc([N+](=O)[O-])c1 2328559665 JAIFCJNWSWBYPW-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(OC)cc1OC 2329662166 WOFRYLPTDQNHIS-UHFFFAOYSA-N 428.583 4.692 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(C(C)C)cc1 2330800503 WQLMXEZWBNZUJZ-UHFFFAOYSA-N 429.634 4.833 30 10 IJEE COc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC(=O)[C@H]1CCCO1 2331552534 VSFJDTPVIIIBIY-HSZRJFAPSA-N 438.520 4.982 30 10 IJEE CC(C)(C)OC(=O)NCC1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339575944 CDAHBILUCKCNTJ-SDNWHVSQSA-N 444.381 4.800 30 10 IJEE C[C@H]1[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339603209 WOGJTJVPZYOBDR-HKUYNNGSSA-N 444.381 4.893 30 10 IJEE C=CCC1(C(=O)N(C)Cc2csc(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2343707822 MTQSASXJIVBVKN-UHFFFAOYSA-N 443.407 4.591 30 10 IJEE CC#CCCCC[C@@H](OCCCN)c1sc(Cl)cc1I 2366692926 WXENNYARFPQMGS-CYBMUJFWSA-N 425.763 4.996 30 10 IJEE C=C([C@@H](OCCC(=O)O)c1sc(Cl)cc1I)[Si](C)(C)C 2366704632 PGUQZNHACJTNES-GFCCVEGCSA-N 444.794 4.972 30 10 IJEE C=C(C)COc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OCC)cc1 9696955 SJKXCVQFAHBGLH-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(OC)c(O)c2)cc1 21660465 MFZFMBLQFXJHDU-WAIKUNEKSA-N 432.476 4.664 30 10 IJEE COc1ccc(Cl)cc1N/C(=N/C(=O)c1cccnc1)NCCc1c[nH]c2ccccc12 32943290 FKHRBSKRECPWRH-UHFFFAOYSA-N 447.926 4.666 30 10 IJEE COc1ccc(/C=C2\S/C(=N/c3nnc(C)s3)N(c3ccccc3)C2=O)cc1OC 39866399 MROQAUNJSZBGBW-NOQVSKCTSA-N 438.534 4.672 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1 41287531 QVBGGDLPGPQLRE-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE Cc1cc(NC(=O)C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)no1 59772197 VDHWGZIYMWVDJG-MRXNPFEDSA-N 443.290 4.831 30 10 IJEE COc1cc(/C(C)=N\Cc2ccccc2)c([C@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC 101461980 RZWGKAQFJMAOPC-XYZKMYPFSA-N 442.515 4.760 30 10 IJEE N#C[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccc(F)cc1F 111223019 BANLTVDROYKNPK-KRWDZBQOSA-N 448.292 4.774 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccs1 169983482 MMLRXFGFPKYDMW-NRFANRHFSA-N 449.484 4.577 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2ccccn2)c1 169990704 WJUHFKBDXQJVPX-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccnc2)c1 170000676 DIDWVEJVAYSGGK-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)cc2)ccc1Cl 170138259 LDQWZVPQYUYJRW-FQEVSTJZSA-N 427.884 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccn1)c1ccc(Br)cc1 170179286 WQEIGTRNJAJRGP-IBGZPJMESA-N 441.325 4.755 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccnc2)cc1 170186005 AETFOMFVFKWKFK-HSZRJFAPSA-N 428.488 4.744 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@@H]3c3cccnc3)oc12 170191307 RXNHHSHOKZEMME-JOCHJYFZSA-N 440.455 4.928 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1C(C)C 170192836 MHUNOKPNHNVMFB-QHCPKHFHSA-N 446.503 4.894 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1c[nH]c2ccccc12 170253869 WATZKOSUHQCHNJ-HSZRJFAPSA-N 448.519 4.525 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1C[C@H]1CCCO1 170273678 KMCXSCGBXYDBHH-QPPBQGQZSA-N 449.547 4.787 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@@H]1c1ccco1 170280768 MHFBYQWGEPBHGH-OAQYLSRUSA-N 425.525 4.889 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccco1 170287851 JLPIOUIAXCTMQZ-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(C)c2)cc1OC 170363051 FATMVSBSTNKFAV-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE COc1ccc(C=NO[C@H](C)C(=O)N2CCc3ccccc3C2)cc1OCc1ccccc1 254305235 AVDSMIUSVICNAC-HXUWFJFHSA-N 444.531 4.598 30 10 IJEE Cc1cc(C)c2ncc(C#N)c(N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c2c1 301333546 FLGPSJSCKHOGCI-UHFFFAOYSA-N 427.504 4.594 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCC 407631376 WUDZWALOXATWNZ-ROUUACIJSA-N 429.374 4.968 30 10 IJEE COc1ccc([C@H](Cc2ccccc2C)NC(=O)NCC2CCC(C#N)CC2)cc1OC 441001326 SKYJGNWTNIEJKU-XPJNUEMQSA-N 435.568 4.925 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 467605228 BCCDQFKHGYVLCU-UHFFFAOYSA-N 427.464 4.866 30 10 IJEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)CC1 470199549 ZFFJFUBSSONLIC-UHFFFAOYSA-N 438.616 4.565 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N\n1c(C)nnc1SCc1cccc2ccccc12 526821539 XYHVSKPWTHVTSF-QFEZKATASA-N 448.548 4.940 30 10 IJEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(=O)OC(C)C)o2)cc1 526831622 RUIULZGXILRKOX-CFRMEGHHSA-N 442.541 4.790 30 10 IJEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(F)(c2ccc(Cl)cc2)CC1 555238081 BTSZPNSKUAPPOQ-QGZVFWFLSA-N 436.959 4.697 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 558985998 GWHIAWFPVDHYST-IBGZPJMESA-N 438.601 4.502 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 558986004 GWHIAWFPVDHYST-LJQANCHMSA-N 438.601 4.502 30 10 IJEE C=CCCCN(C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 605645427 UMSNSMVBIZLVDC-UHFFFAOYSA-N 428.508 4.729 30 10 IJEE Cc1ccc(CN(C)CC2CCN(Cc3ccccc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 719941026 FROBSSGNRCMFLV-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE C=CCOc1ccccc1CN(C(=S)Nc1ccc(OC)nc1)c1ccc2c(c1)OCO2 726898417 YAOOFAJTEDOHSN-UHFFFAOYSA-N 449.532 4.787 30 10 IJEE CCCCCCCC(=O)NS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 727958207 RERPEPHREJNKOT-UHFFFAOYSA-N 436.961 4.758 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c1 729562735 BYARLTVNZANNOY-RXVVDRJESA-N 429.561 4.895 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 800784650 PVAIJEVMLUBUIR-OAQYLSRUSA-N 426.948 4.944 30 10 IJEE C[C@H]1Oc2ccc(/C(=N/OCc3ccc(Br)cc3)C3CC3)cc2N(C)C1=O 821229188 XXOWQIPLTWSBSH-HERUYACRSA-N 429.314 4.524 30 10 IJEE COc1ccc(N=C2C(=O)N3c4c(cc(OC)cc42)C(CN2CCCCC2)=CC3(C)C)cc1 1081156865 NOHHDZMIDOTIRT-UHFFFAOYSA-N 445.563 4.833 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2nc(C(C)(C)C)cs2)s1 1125953816 BIKMAUYMQGMLOF-UHFFFAOYSA-N 430.064 4.952 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c(OC)c1 1127836321 WKODKXNVYUBDRQ-LJQANCHMSA-N 429.944 4.774 30 10 IJEE COc1ccc([C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccco2)cc1 1129779081 DKTHZHDYHHNEAN-DEOSSOPVSA-N 428.444 4.851 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1 1136228937 ZLAIRNZVMKBOPP-NZQKXSOJSA-N 443.632 4.927 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 1136737923 VJFCJELBPRNZNH-GOSISDBHSA-N 443.931 4.658 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1147165338 GHPRGHBTJGWEMG-XXBNENTESA-N 440.565 4.555 30 10 IJEE C[C@]1(C#N)CCCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1152085269 FEHBIFMXVYAJHD-TZIWHRDSSA-N 431.305 4.861 30 10 IJEE N#Cc1c(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)nc2c(c1C#N)CCCCCC2 1163298282 BKRCUSXIBZXKIE-FQEVSTJZSA-N 430.430 4.528 30 10 IJEE C=CCn1c(SCc2cc3c(cc2Cl)OCCO3)nnc1-c1ccc(OC)cc1 1164535062 NAASMMBZEGGIGW-UHFFFAOYSA-N 429.929 4.857 30 10 IJEE C=CCn1c(SC[C@@H]2CCC[C@H](C(F)(F)F)O2)nnc1[C@@H]1COc2ccccc2O1 1188283080 TXBJXNCWQDAQJJ-RRQGHBQHSA-N 441.475 4.569 30 10 IJEE N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1188715403 DKQRZEUGFWLNJK-UHFFFAOYSA-N 428.863 4.605 30 10 IJEE C#CCC1(NC(=O)Nc2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)CCCCC1 1208290597 DCABTRKNUMRYMB-UHFFFAOYSA-N 427.545 4.664 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1ccccc1 1264039141 ZJNOUZFZFUIZSC-PWHSHALESA-N 426.582 4.652 30 10 IJEE C=CC[C@]1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCCN1C(=O)OC(C)(C)C 1264414262 WTXAANPPQUEAGD-RUZDIDTESA-N 427.589 4.589 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[C@H]1CCCCO1 1286278981 IMHLPFCQAICRND-WSTZPKSXSA-N 426.630 4.939 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCN(C(C)C)C1 1286362516 FHRMAZLZEROYRL-HXUWFJFHSA-N 448.640 4.567 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(COC)CCCCC1 1286450113 CVDOUISHSXMENM-IBGZPJMESA-N 428.552 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1Cc1ncc(CC)s1 1286517290 SMVLIHQELQJZGT-OAQYLSRUSA-N 429.952 4.797 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccco1 1286534349 SSEMQJJQNNRWCO-INIZCTEOSA-N 444.289 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1286583966 UHBUPZWZBLYLOK-IYARVYRRSA-N 427.980 4.575 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1286637874 ODLZNPKASMREBK-UGKGYDQZSA-N 440.588 4.788 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCC(C)CC2)CC1 1286638016 RZTQZPWPESWLFZ-FQEVSTJZSA-N 444.023 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286668154 PCDFXDOAAMJBOX-UHFFFAOYSA-N 445.571 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCCCCC1 1286670930 PIBIHHKQHXPNFQ-UHFFFAOYSA-N 444.649 4.611 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(C2CC2)CCC1 1286730336 DSVHFHPYAPBNDH-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CC1(CC(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)CN(C(=O)OC(C)(C)C)C1 1291671414 CCQKJZUOGSMOBM-UHFFFAOYSA-N 443.588 4.701 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC(F)(F)C1 1293331535 HQQFLMSHBGRZBZ-QXAKKESOSA-N 429.515 4.789 30 10 IJEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(C)(C)C)C2)CCCCC1 1298041922 FIFMADAKOAZDKT-JOCHJYFZSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](NC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1298925267 YJJODFISGJKVNA-GOSISDBHSA-N 443.931 4.547 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC2(C)C)c1 1299966495 FXJYJYBINRZUGE-KGLIPLIRSA-N 432.366 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCCC1(C)C 1300284651 UPONCBYVXKSHAK-XVTZWQNCSA-N 426.630 4.531 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCSC1(C)C 1300510924 DIAPZTYCSKMZBL-RTWAWAEBSA-N 436.625 4.639 30 10 IJEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1300555004 QHWQWNOEWDBFDN-UHFFFAOYSA-N 449.599 4.628 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1cc(C)oc1C 1300609573 RRQHLDLYGPTSNI-QFIPXVFZSA-N 447.366 4.829 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(CC)CC1 1300745299 ITMXSRJRYQFJFM-UHFFFAOYSA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccco1 1300815930 DHBWQAZZQBLVQB-OAQYLSRUSA-N 431.323 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CCCCC1 1300909085 JVSQJVNBVVATTF-UHFFFAOYSA-N 432.616 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 1301155289 LNGQTLFUKPHGKR-UHFFFAOYSA-N 449.565 4.740 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCCCCC1)C(C)C 1301366642 GPEHNDXMJQFVCF-XZOQPEGZSA-N 429.653 4.641 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1301412577 DKKVRCZXHHWHOR-WMZHIEFXSA-N 439.629 4.813 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2=CCCCC2)C1 1301544335 XAAJPMIYQLTOJA-GOSISDBHSA-N 446.393 4.708 30 10 IJEE C#CCN(C(=O)CCCc1ccc2c(c1)CCCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1303656014 OSJMBCUVFPPLON-UHFFFAOYSA-N 438.612 4.749 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CC(F)(F)C1 1303908379 CBDCRYHOJUQCAO-DJJJIMSYSA-N 439.869 4.559 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1OC 1308322611 RBRSYLKPXDUQFM-PXNSSMCTSA-N 445.401 4.775 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)c1 1312011177 DJGHKIXDPUWDPV-DHIUTWEWSA-N 428.536 4.588 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)Oc1ccc(Br)cc1 1312087780 HYNSNURDNAGARX-KRWDZBQOSA-N 444.373 4.956 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)C1 1323754950 GTJJLPRXPDHXKD-OAQYLSRUSA-N 439.943 4.628 30 10 IJEE C=CCC(CC=C)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1352129993 DBSVAACGJIJBIZ-NRFANRHFSA-N 442.556 4.950 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)CCCN1C(=O)OC(C)(C)C 1357573036 ALJLNUWRJDQRDV-CLOONOSVSA-N 440.588 4.500 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1 1358007276 MWDAIARRGIXNKV-UHFFFAOYSA-N 428.473 4.670 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCC[C@@H]1C 1358973449 SEAKUSPVHJNHEN-LEWJYISDSA-N 428.536 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCN1CC 1359107519 OPXGGKRRXLUOCI-CTNGQTDRSA-N 429.584 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCC[C@@H]1C 1359108997 LRYAHHOJLUVPKX-IBGZPJMESA-N 426.565 4.520 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCSC2(C)C)CC1 1359167567 LGFAXKNMHULDES-FQEVSTJZSA-N 426.630 4.760 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](N2CCCC2)C1 1359185038 JMCMNYAVNCSLEX-IBGZPJMESA-N 429.012 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1C 1359270369 MPDFARNNXJCKJO-VQTJNVASSA-N 446.599 4.851 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC(C)C)C1CCCC1 1359287087 LZFZSAXYGMHQCC-LJQANCHMSA-N 431.625 4.984 30 10 IJEE C=CC[C@@]1(C(=O)OCc2ccn(-c3c(F)cccc3F)n2)CCCN1C(=O)OC(C)(C)C 1435752962 QBZUKWXTQZTNAI-QHCPKHFHSA-N 447.482 4.540 30 10 IJEE Cc1ccc(CCC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(Br)c1 1436069296 BIMCWMPLXPYUGE-UHFFFAOYSA-N 446.776 4.564 30 10 IJEE Cc1cc2c(N3CCC[C@H]3C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)ncnc2s1 1436350513 DGZHVWLCIZNLFW-SFHVURJKSA-N 435.553 4.656 30 10 IJEE C#CCOc1ccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2OCC)cc1 1443946532 QMBCIOVASHJMAZ-NRFANRHFSA-N 438.524 4.692 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 1448823212 CKOYVHBRKAASFL-DEOSSOPVSA-N 449.982 4.591 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1Oc1ccccc1 1459318590 FFUVYVUGPXHMKA-KRWDZBQOSA-N 431.879 4.996 30 10 IJEE CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 1459413031 GNUBCHZKOTZCMD-TZQQIIETSA-N 438.385 4.729 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC1 1463799453 GODMYEHZTUPPHL-VWLOTQADSA-N 445.950 4.942 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CCCC2)cc1 1465257540 KWMGMZCFKGFGMG-UHFFFAOYSA-N 447.988 4.738 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(c2cccc(F)c2)C(=O)C1)c1ccc(C(F)(F)F)cc1 1469492542 UZLZZMHLCDDBST-HXUWFJFHSA-N 449.448 4.910 30 10 IJEE N#CC[C@@H]1CCCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1470048978 DLDZJBYSUFHBDW-MGPUTAFESA-N 431.305 4.861 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCC3(c4ccccc4Br)CC3)cc21 1477134485 GAYDTZSXTQTQLJ-UHFFFAOYSA-N 425.330 4.838 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 1478552439 DTXGNCZZAPCLBK-DNVCBOLYSA-N 435.446 4.673 30 10 IJEE C#C[C@@H](NC(=O)N1Cc2cccc(Br)c2C1)c1ccc(Br)cc1 1478896657 QAIJDKIKXPOXCR-QGZVFWFLSA-N 434.131 4.611 30 10 IJEE C#C[C@H](NC(=O)N(CCOCC)[C@@H]1CCc2ccccc21)c1ccc(Br)cc1 1478897157 VREVXIRVAKLUBM-FCHUYYIVSA-N 441.369 4.859 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C=C)CC1 1507572087 XBKMIYBSEDIYKK-FQEVSTJZSA-N 427.593 4.556 30 10 IJEE C#CCCCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)S[C@H](C)C1 1507573382 GCSSJKPPEMMRQI-QZTJIDSGSA-N 430.643 4.713 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)CCCCC)CC1 1507578348 YYRFYXVUGQSBPD-UHFFFAOYSA-N 442.007 4.677 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(C)CCCS1 1507662343 ILQRUNPCSQTSNE-MHECFPHRSA-N 438.666 4.880 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCc1ccc(Cl)s1 1507670607 QYRLTFSEGJHBMP-UHFFFAOYSA-N 444.938 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1CCO[C@@H](C)C1 1507762610 WSQKMXAZFXYAJG-LLJLJFOGSA-N 442.991 4.804 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1507792783 AMRGJUVFEVIUKB-UYAOXDASSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1 1507794361 FJVTZBRPFCEZPZ-IFMALSPDSA-N 438.616 4.839 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCSC 1507795590 LTOUZVHXTSZHLR-DENIHFKCSA-N 437.613 4.664 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)CC1CC(F)(F)C1 1507806309 MPXRWURVJRLJAN-DENIHFKCSA-N 446.542 4.628 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(c2ccccc2)CC1 1507826966 LXTBLZASLJTZAO-UHFFFAOYSA-N 444.402 4.672 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1507847032 DRAIVACWHXKVOX-UPVQGACJSA-N 438.616 4.824 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)CN2CCCC2)CC1 1507895599 ASMRHGAVEUGTAV-VQTJNVASSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN(C)C(C)C)CC1 1507897982 VCTQMWBLBYKDLM-LJQANCHMSA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1507919659 HARQADUGMBHAEJ-DOIPELPJSA-N 430.637 4.662 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccnc(N2CCCCC2)c1 1507986403 ZFDMHWPPVSNUSM-UHFFFAOYSA-N 446.599 4.530 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC(=C)Br)C1CC1 1507988184 QLPPNXGEZUNJKW-UHFFFAOYSA-N 438.167 4.771 30 10 IJEE Cc1cccc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1510593944 FIEPRNNFINZENI-JKPKGCNWSA-N 439.579 4.751 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)cc1OC 1525005140 DSJNHBHZVVSWEN-JLHYYAGUSA-N 434.536 4.846 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCCc2ccc3c(c2)OCCCO3)n1 1534802770 BPZBCPCIHQCLHX-UHFFFAOYSA-N 436.899 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1538985464 AFAKOFRFARXOCW-OTWHNJEPSA-N 446.014 4.954 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1539051733 GQXJRNYBILAYLF-JOCHJYFZSA-N 445.592 4.867 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1539894406 GQPZPBUSLGPGHB-DHLKQENFSA-N 438.616 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1539907316 ZMMKLSWGTIPVSO-IBGZPJMESA-N 444.645 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCC(=O)N1 1539932095 VNWZORPOIUCBDG-MOXGXCLJSA-N 445.995 4.673 30 10 IJEE C=CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)CC)c1ccccc1 1539938857 CLAYDYWYYDFMOJ-AZUAARDMSA-N 435.572 4.848 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS[C@H](CC)C1 1539947350 KWUHYWSSWCJQMY-HXUWFJFHSA-N 427.618 4.835 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc2ccccc2s1 1540051500 GLJLZWSNBUQNPV-UHFFFAOYSA-N 428.359 4.921 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1540081163 UUQUKSGWIQRLED-FQEVSTJZSA-N 425.577 4.529 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCSC1 1540191628 NXAKKPFVZALCFC-IAGOWNOFSA-N 432.659 4.523 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 1540301194 DCPADJZWDXLRTB-XMSQKQJNSA-N 433.426 4.683 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1540854285 WGAPDGZIWGBLEF-YADHBBJMSA-N 444.583 4.565 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)N1CCCC1 1541303235 CPJPWBQWARBXAY-REWPJTCUSA-N 434.632 4.810 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(CN(C)C)o1)c1ccc2c(c1)OCCO2 1543115103 GUXPBNKJNYYDHP-UHFFFAOYSA-N 448.519 4.524 30 10 IJEE C[C@@H]1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)C[C@@H](C)O1 1543650961 FCDBUMFVMNAQBK-HZPDHXFCSA-N 447.505 4.799 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2C(=O)N(CCC)C(C)C)CN(C(=O)OC(C)(C)C)C1 1545914931 ZNGKPSLCPOPQKZ-UHFFFAOYSA-N 443.588 4.699 30 10 IJEE COc1cccc([C@H](Cc2cc(C)cc(C)c2)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 1561267450 CBIVUVCSNMEAJM-VWLOTQADSA-N 434.561 4.587 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2cccc(OC)c2)CCCC1 1565694993 BHTHKSBCMGOOBA-LJQANCHMSA-N 436.980 4.659 30 10 IJEE CC#CCCNC(=O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1566958004 ZBRGRMBNETUMPE-OAQYLSRUSA-N 444.575 4.957 30 10 IJEE C[C@H](NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)c1ccc(-c2cccc(C#N)c2)cc1 1584715934 CKUWANUHRSLLAV-NPMXOYFQSA-N 431.442 4.874 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C 1585974409 WOXOWQOLBLKCNM-UHFFFAOYSA-N 440.609 4.682 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1587718581 IYFFZWJKHWERMI-NLWGTHIKSA-N 426.630 4.796 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1587812754 AZYWFOPPLSJTEO-IBGZPJMESA-N 432.490 4.581 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCCc1c[nH]c2ccccc12 1588241809 WLMILUZCGQWTLL-UHFFFAOYSA-N 427.577 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C)(COC)CC1 1589514161 DJUGJTAHPUGSPO-NQIIRXRSSA-N 445.007 4.833 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(c2ncccc2F)CC1 1593825912 FZMWKHIECBVMMS-UHFFFAOYSA-N 447.345 4.602 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1594036719 WNGYPQFYFCGPRP-DVECYGJZSA-N 438.576 4.520 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(O)(C(F)(F)F)CC1 1594599988 FBMPIWICXMNFSO-UHFFFAOYSA-N 428.886 4.848 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1C[C@@]1(C)CCCS1 1595083724 DYRACJGARMOXRQ-RUZDIDTESA-N 449.624 4.751 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1C[C@](C)(O)c1ccco1 1595161729 JOHFWKVDEMEVQB-QHCPKHFHSA-N 426.586 4.766 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1595185014 KPQHTICHKOIUNK-BGYRXZFFSA-N 449.599 4.758 30 10 IJEE CC(C)(Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1)c1cccc(F)c1 1597765906 GWWORBFULSUXDP-OAQYLSRUSA-N 425.552 4.767 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC(C)C)nc1 1611862290 HRXRDYNRXVACJC-UHFFFAOYSA-N 442.523 4.585 30 10 IJEE N#Cc1ccc(Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)c(F)c1Br 1612700299 IQMSJSCEPHQGFJ-UHFFFAOYSA-N 434.162 4.521 30 10 IJEE C=CCN1[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@]2(C)C(=O)CCCC[C@@H]12 1615772682 RRHXVEFCENAIFY-BTKWVRSESA-N 426.601 4.901 30 10 IJEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 1617344469 GGXOPHYJNRTDHG-HSZRJFAPSA-N 434.536 4.607 30 10 IJEE C=C[C@H](CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1 1618253498 OJFAWQVSSMNZAM-AUSIDOKSSA-N 437.584 4.795 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-c2nc3ccc(OCC)cc3s2)cc1)C1CCOCC1 1622791539 GJXGPZVPNJFDMB-FQEVSTJZSA-N 435.549 4.912 30 10 IJEE CC(C)(CNC(=O)Nc1ccc(Br)c(C#N)n1)c1cccc(Cl)c1F 1626723565 AOYLLBVYCQLOOM-UHFFFAOYSA-N 425.689 4.608 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)C1 1627367927 JKINICGGZIQWFB-OAHLLOKOSA-N 443.316 4.716 30 10 IJEE N#Cc1ccc(OCC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1Br 1628790150 BRWMULJOBGDDKZ-OAQYLSRUSA-N 438.325 4.935 30 10 IJEE C=CC[C@@H](NC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1ccncc1 1631878106 NKMWWIUDSBGWIA-OAQYLSRUSA-N 433.531 4.818 30 10 IJEE C[C@H](c1ccsc1)N1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 1632052298 HGFRNCCSTMTKAU-QGZVFWFLSA-N 436.606 4.937 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O 1635395600 SKEGZYRRHJGIQV-SQNIBIBYSA-N 426.985 4.553 30 10 IJEE C=CCC[C@@H](NC(=O)CNC(=O)c1ccc(OCC)cc1)c1ccc(C(F)(F)F)cc1 1636926896 PBKRXTJKVISXBP-HXUWFJFHSA-N 434.458 4.658 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccco1)c1ccccc1OC 1641975158 OHQIBMAKJUYTNG-LPHOPBHVSA-N 434.920 4.530 30 10 IJEE CN(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(C#N)c(Br)c1 1651883882 HLEVCAWAZUAHFU-UHFFFAOYSA-N 434.337 4.663 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1 1652304615 MORZYELEFVHGPQ-LJQANCHMSA-N 443.572 4.717 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 1652423840 KVORTMTWCABUFG-AWEZNQCLSA-N 433.321 4.806 30 10 IJEE CCOc1ccc(Br)cc1CN(CCOc1ccc(C#N)cc1OC)C1CC1 1652459346 DBANSQMTRPCNQI-UHFFFAOYSA-N 445.357 4.771 30 10 IJEE CCCN1CCC(N(C)CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)CC1 1652645888 FJBKVVFQCZBVQX-GOSISDBHSA-N 444.689 4.906 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@@H](O)COc1cc(C)ccc1Cl 1653290062 QPZHJJHTXUNYJR-QGZVFWFLSA-N 442.756 4.978 30 10 IJEE C#CCN(Cc1noc2c1CC(C)(C)CC2)[C@@H]1CCOc2ccc(Br)cc21 1653388322 JCVZYRIMWMIPIA-LJQANCHMSA-N 429.358 4.911 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(-n2cccc2)cc1 1653969343 UMFUVEWBPHFNBW-UHFFFAOYSA-N 449.345 4.756 30 10 IJEE N#Cc1ccc(-n2c(SCc3ncc(Cl)nc3Cl)nc3ccccc3c2=O)cc1 1656169325 BLCADBSDGVPLKQ-UHFFFAOYSA-N 440.315 4.646 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(Cc2ccccc2)[C@@H](CCC)C1 1657920513 WVUSDIOHSBLEEH-GGAORHGYSA-N 425.642 4.638 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CO)c1cccc(Cl)c1Cl 1659506483 HMDOQIAHRSQJAI-SUMWQHHRSA-N 438.380 4.507 30 10 IJEE C=CCCC1(CNC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CCCC1 1668708580 MDWFIJJJABGKJZ-UHFFFAOYSA-N 425.570 4.551 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 1671437861 GJUXQCJYLARIGJ-FQEVSTJZSA-N 449.580 4.511 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 1672712038 HXNMQEGSUOLZPA-BTYIYWSLSA-N 428.330 4.952 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)c1 1674426573 PHYGYAJRIVUHFE-KRWDZBQOSA-N 444.240 4.516 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc(OCC)cc1)c1cccc(Cl)c1)C1CCOCC1 1679273644 AELVUXYNUZUFBQ-GOTSBHOMSA-N 426.944 4.556 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1)c1ccc(Cl)cc1 1683675359 AAZVQMVUTPJCFD-DLBZAZTESA-N 433.737 4.504 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)CC1(O)CCCC1)c1ccc(Br)cc1 1686920495 ZBUNCSMJTYFIOC-OAQYLSRUSA-N 441.369 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C(CC)CC)N(C)C 1689835959 VXOIDHSZVXKFLP-BBTUJRGHSA-N 441.689 4.956 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1690091573 YBRZXWATHSHKKI-LVXARBLLSA-N 439.623 4.766 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690223095 DUENHIUSUWGTPW-BETUJISGSA-N 439.785 4.998 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1690291739 VKIWRHDYZWGANY-UHFFFAOYSA-N 433.522 4.932 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](C)N2CCCCC2)CC1 1690412485 STAXRXCWSKWSTK-FQEVSTJZSA-N 425.596 4.675 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)c2ccccn2)CC1 1690415782 YFXNCTYLVNYMLU-UHFFFAOYSA-N 435.547 4.771 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690465128 SJAYGFCCCXVUOE-LJQANCHMSA-N 433.641 4.916 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1690488311 NPVBYMFSUSNELX-DEOSSOPVSA-N 426.568 4.561 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1690491986 MLIIGCYOHFKTLT-INIZCTEOSA-N 449.393 4.590 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(N(C)C)CCCC1 1690516506 LGCGQIMGDDZTPA-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCc1nccs1)C1CC1 1690539572 DMHNDLDJNMGFEL-UHFFFAOYSA-N 444.402 4.870 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1CC 1690593141 UXPNBTXANLOYFJ-UXHICEINSA-N 446.599 4.680 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC2CC2)cc1Br 1697367983 GESSTEISMUFILW-NRFANRHFSA-N 444.377 4.646 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](CC)c1ccccc1 1705480582 TUECPLSIVMKMPB-SJORKVTESA-N 440.389 4.698 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705529762 NRLAHIXZHSENEZ-UHFFFAOYSA-N 436.991 4.742 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705701904 JOXFNOKWHQKVHG-DYESRHJHSA-N 447.027 4.539 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1705757436 LIAMJYAJCFXJOZ-INIZCTEOSA-N 431.968 4.537 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705762551 CANXIKYHAHBUSP-KNQAVFIVSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1705784167 KHEGFMZIYANLKR-NZQKXSOJSA-N 438.616 4.680 30 10 IJEE C=CCCCCn1c(COCC)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 1705809255 LTGLUHVWRMGQDA-IBGZPJMESA-N 449.393 4.511 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)c1ncc(C)s1 1705839200 QXQHMUGIKMFCBA-HNNXBMFYSA-N 427.574 4.543 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1709638723 DSOBJUTWKFQKCG-RCZVLFRGSA-N 438.595 4.604 30 10 IJEE CS[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1)C(C)(C)C 1712748664 AOJJFNHTGXMUCL-PXNSSMCTSA-N 427.618 4.743 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCCC1(F)F 1722287890 SDPAKQQXRQNLSS-CABCVRRESA-N 437.332 4.991 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@H]1CC 1722321906 DFEBNSGLMPGJIZ-AQNXPRMDSA-N 429.609 4.778 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cc(Cl)ccn1 1722454156 JBKJGLPCGFMIGR-UHFFFAOYSA-N 448.983 4.545 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCc1nc(C(C)(C)C)cs1 1722471968 XXAFLOSFFFCWIT-XMMPIXPASA-N 434.613 4.637 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(C)c1 1722496929 OXZVGUKEXWLTGK-IRLDBZIGSA-N 437.975 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNC(=O)c1ccco1 1722501704 IVCRXNDTQCIDRN-UHFFFAOYSA-N 448.354 4.677 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H](CC)N1CCc2ccccc2C1 1722512963 NYPQSHNPNMBDGS-QHCPKHFHSA-N 430.600 4.579 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1722600234 MPNIJPHOFXMVRG-IBGZPJMESA-N 425.625 4.696 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722610255 NTHBKTMIMKGFSU-HNAYVOBHSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cnn(C)c1 1722664392 YOKCAMNQMNOUTG-UHFFFAOYSA-N 438.988 4.558 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1CCSC1 1722733659 HPYHWRKKIAXGNK-MRXNPFEDSA-N 439.448 4.569 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](OC)C1 1722740306 SMHKLXMXYHJSKN-KRWDZBQOSA-N 439.050 4.758 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1722742489 VRHALEDXJWSOIN-UHFFFAOYSA-N 438.544 4.903 30 10 IJEE Cc1cccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)c1 1724526273 AKNLMYMEFBNLSJ-XLGIIRLISA-N 435.616 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@](C)=O)CCC1 1740539004 QTSBKXYQBOGGMZ-ONSXPEOJSA-N 447.029 4.572 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N2CCCC2)nc1 1740540112 HFWGOTJFTQVSTC-HXUWFJFHSA-N 442.611 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cscc1C 1740542516 WVOFITWXEKAUGZ-AWEZNQCLSA-N 445.386 4.592 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 1740568194 CJRAHDUHCXTFIL-UHFFFAOYSA-N 426.008 4.857 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OC(C)(C)C)CC1 1740571138 WZPXGKNJDMSHBQ-UHFFFAOYSA-N 440.588 4.550 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1740593720 NZPCFJZISQZMHZ-FQEVSTJZSA-N 426.973 4.575 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C)CC1 1740723316 QNCABKAUHIUNRC-GOSISDBHSA-N 430.643 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@H]1CCCCC1(F)F 1740734486 GNUGKDOGVOUPDA-VGOFRKELSA-N 432.490 4.814 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OCC(F)(F)F)CC1 1740825959 VNDYNELIJWJHKD-LJQANCHMSA-N 436.478 4.666 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H]1C 1740856566 VODNHNMPUVFHRW-UXHICEINSA-N 448.615 4.811 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](c1ccco1)N1CCCC1 1740892382 VLCKAXFSSDJIAK-RXVVDRJESA-N 439.535 4.610 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1740941537 NHWROSNCMJKLDM-ISKFKSNPSA-N 440.632 4.982 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCN2CCCC)C1 1740977517 IBVRBOISQIJXQI-SFTDATJTSA-N 441.595 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1748685908 GPJKZTNBQKJIFQ-HBFSDRIKSA-N 434.506 4.992 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CC1CC1 1748706549 MGIGPCLMZZJHSN-UHFFFAOYSA-N 444.352 4.780 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCN1CC 1748917639 GVDJWJKGTJUOJP-HXUWFJFHSA-N 437.588 4.757 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC=C(C)CC1 1749044475 QYSSERNELXDGHG-UHFFFAOYSA-N 445.032 4.774 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCCCSC 1749077801 CFTUSFLHKHRDQD-XMMPIXPASA-N 426.630 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1749163533 MSBSCMADEUEGBN-UHFFFAOYSA-N 435.616 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(COC)c1 1749171074 PVPVSVMSMMNGCK-FGZHOGPDSA-N 426.605 4.794 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1749292734 VFJQRMAVUOJEPP-HKBOAZHASA-N 440.588 4.646 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1749331609 QOJRWEADRPQGCT-XLIONFOSSA-N 445.405 4.661 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1749382335 LXMIRDMGWLTODQ-FQEVSTJZSA-N 433.522 4.590 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1749385341 QBHPGKSLRGMPAT-QFIPXVFZSA-N 428.540 4.557 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C2(CCC2)C1 1749627753 XVDSNZBKOSFSLS-RBUKOAKNSA-N 429.609 4.595 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCCC2)C1 1749701568 WLPMKAVQMDIDQB-HSZRJFAPSA-N 437.632 4.510 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 1760130623 KHWCCVDEPAUAHB-QUCCMNQESA-N 430.980 4.717 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccoc1C 1760146941 BENJRSDWEWQSBA-UHFFFAOYSA-N 443.345 4.667 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@@H](OCC)C1CCCC1 1760167116 CSWKJBDRPWYHKS-HXUWFJFHSA-N 445.405 4.762 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1sccc1C 1760207294 DBTWOHWLEYCOHP-UHFFFAOYSA-N 432.593 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760330526 GLPFMZYQKFQYPH-YADARESESA-N 428.577 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](c1c(F)cccc1F)N(C)C 1760334296 YYHIZDQQUBKJIP-OAQYLSRUSA-N 440.542 4.632 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1760443609 WKJDVEITHIGYLS-UHFFFAOYSA-N 439.560 4.933 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1760443789 MLZBSZVPNVZEOX-UHFFFAOYSA-N 448.036 4.637 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1ccc(Cl)s1 1760492600 YOJWAMNGINODNH-UHFFFAOYSA-N 442.972 4.852 30 10 IJEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1760503266 DPNGCYCBUSZCNE-ZJOUEHCJSA-N 430.980 4.583 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2sccc2C1 1760568681 PJKXTJUTOFQDJX-IEBWSBKVSA-N 432.659 4.740 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC=CO1 1761605587 AQSDEBZCLIBUAN-VQIMIIECSA-N 434.569 4.808 30 10 IJEE COC1CCC(CCn2c(-c3ccccc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CC1 1769022663 GEHJCWLYGVHUBL-CNXQINBVSA-N 431.943 4.636 30 10 IJEE COc1ccc(OC)c(CCCn2c(-c3ccc(C)o3)nnc2N2CCC[C@](C)(C#N)C2)c1 1770264676 FKWDRWAHMLXYJC-RUZDIDTESA-N 449.555 4.627 30 10 IJEE CSc1cc(C)ccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1770480095 CNOQGZCSHPNOIO-FBBABVLZSA-N 441.645 4.871 30 10 IJEE Cc1cc(C)c(NC(=O)c2nc(C(=O)Nc3cccc(C#N)c3)c3ccccn23)c(Cl)c1 1858241862 IPFRBXPISMKKDV-UHFFFAOYSA-N 443.894 4.981 30 10 IJEE C[C@H](Oc1cccnc1NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1ccccc1Cl 1858846514 NAJADIPQTKZBTN-AWEZNQCLSA-N 435.871 4.657 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2cccc(Cl)c2)cc1 1862391806 ISMPPNMBWHRTBA-NRFANRHFSA-N 427.928 4.643 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862417303 QIVBWEROQYIHLE-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C(C)C)cc(Cl)c1O 1862438744 PXSCPAGBSQDAST-KRWDZBQOSA-N 436.291 4.694 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCc2ccc(F)cc2)c1 1862474629 QLGQAKFOWLIBHG-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862505460 CSMCSIDRJMCHNI-QHCPKHFHSA-N 446.478 4.706 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(O)cc2)ccc1F 1862507297 IJUSZRNZTLUPEQ-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862509024 VOXDENGJLOWBOE-FQEVSTJZSA-N 442.443 4.516 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc4c(O)cccc34)C2=O)c1 1862768064 VQWDWQYVVIFZFP-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE CC(C)Oc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862777312 WTACRHHRYCWVRQ-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2cccc3cccnc23)C1=O 1863050263 FRZHTEVXOMJPIM-UHFFFAOYSA-N 446.466 4.512 30 10 IJEE CCCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cccs2)C1=O 1863108137 NTVPGZMSMNFHMK-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863361420 MLEXFUHIPYWSEH-UHFFFAOYSA-N 428.463 4.783 30 10 IJEE CCc1nc(Nc2ccc(C#N)cc2)cc(N2CCS[C@H](c3ccc(OC)cc3)C2)n1 1868291138 INBVYVRATKJKPP-NRFANRHFSA-N 431.565 4.957 30 10 IJEE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(C#N)cc4)nc(C)n3)CC2)cc1C 1868496683 GZVQAUDHAUXFFH-UHFFFAOYSA-N 441.535 4.817 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c1ccc(Cl)cc1)C(C)C 1868705559 MSKQDKZYCOIXOK-NHCUHLMSSA-N 437.049 4.908 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870140551 XUNMAPBUIRFHHG-UHFFFAOYSA-N 429.446 4.703 30 10 IJEE Cc1ccccc1-c1ccc(-n2nnc(C#N)c2NC(=O)COc2c(C)cccc2C)cc1 1870159951 CFBHGEKHGSEUTQ-UHFFFAOYSA-N 437.503 4.749 30 10 IJEE CCCCCCCCn1cc(OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870554752 HFDWUGMPSIBCAG-UHFFFAOYSA-N 441.616 4.548 30 10 IJEE C=CCOc1cn(Cc2ccc(F)cc2)c(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1=O 1870808893 FZGOBVVQPNICED-UHFFFAOYSA-N 443.862 4.774 30 10 IJEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1cccc(OC)c1 1870883390 YDQLIAYKAGWCLZ-UHFFFAOYSA-N 440.927 4.766 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCCCC)cc1)[C@@H](C)CC)S(=O)(=O)CCC 1872185128 VDINLUKAQQCKOK-SIKLNZKXSA-N 438.634 4.837 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872314966 IEZPKLPNYZYBHW-IIBYNOLFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 1872358632 UWNCSRUBUFIEIX-IBGZPJMESA-N 440.487 4.690 30 10 IJEE C[C@H](c1ccccc1)N1C[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3)cs2)CC1=O 1872776232 LDNOMTHQLYRLBY-ZTNFWEORSA-N 433.508 4.735 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c(NCCCOCC)ncnc21 1873604934 AORODLWMWZAOEV-UHFFFAOYSA-N 427.936 4.670 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccc(C(=O)OC(C)C)c3)c(=O)oc2c1 1873980099 WCANTFBKCQIDLL-UHFFFAOYSA-N 449.503 4.803 30 10 IJEE OCCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(Cl)cc1 1874234219 XSGHJADYWSWAPH-PCLIKHOPSA-N 436.968 4.837 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(F)c1 1874237499 LYIGXDZSLFXUPT-ZMOGYAJESA-N 426.517 4.576 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)cc1 1874293260 UOLJGGSAXPBWFH-CVKSISIWSA-N 445.548 4.744 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccc2O)cc1 1874348740 BCFLNJSHLFDDNL-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCCCO)nnc1-c1ccccc1Cl 1874368080 MXTOEGPDLNOJGD-HZHRSRAPSA-N 430.961 4.744 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(O)cc2)o1 1874427947 JNNIFTSPQPYPFX-ZVHZXABRSA-N 448.504 4.595 30 10 IJEE COc1cccc(CCc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3)cc2)c1 1874564038 LHBVXPCACOROGD-YZSQISJMSA-N 444.560 4.822 30 10 IJEE Fc1cccc(Cl)c1/C=N/n1c(S)nnc1Cc1ccc(Br)cc1 1874570242 PDSHDBKNXUPYQY-AWQFTUOYSA-N 425.714 4.595 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1F 1874621364 DOPYTFOZFVZKPD-GORDUTHDSA-N 446.887 4.858 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)cc([N+](=O)[O-])c1OC(=O)CC 1875171502 ZSIGWDNCDUOGRV-CMDGGOBGSA-N 427.453 4.830 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(-c4ccccc4C)on3)ccc21 1890905600 RAKGAACHRQUWRH-UHFFFAOYSA-N 431.492 4.840 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@](CC)(NC(=O)OC(C)(C)C)C(F)(F)F 1939654518 DNFUYSWWPUHTFY-WIYYLYMNSA-N 430.511 4.973 30 10 IJEE CN(C[C@](C#N)(N(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C 1944385846 NETKZRGTJISFER-SBUREZEXSA-N 439.597 4.578 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)CC1 1984690661 NQLWKMPXDOHROV-KBMIEXCESA-N 445.563 4.702 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H](C)C[C@H]1CCCCN1C(=O)OC(C)(C)C 1991583899 BHNHKTCMBAGDPQ-RBUKOAKNSA-N 425.614 4.615 30 10 IJEE Cc1nn(C)c(Br)c1[C@@H](C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2076861285 DQSZTYVKWWEMSY-CYBMUJFWSA-N 425.352 4.555 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1 2079877290 WBECTVSQFWGHNL-MRXNPFEDSA-N 435.309 4.665 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1nc(CCC)[nH]c1Br 2087651904 FINXLNJNFMMSSL-HIFRSBDPSA-N 429.403 4.635 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(C)ccc(Br)c1F 2102882276 KUVSIINQJOVEAK-YJBOKZPZSA-N 427.358 4.854 30 10 IJEE N#Cc1c(F)cc(Br)cc1Nc1ccc(I)cc1F 2107448209 UPDYHWPQFZONAQ-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC(C)[C@@H]1[C@H](Nc2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2126363415 KKISDZOPYMNSJZ-NVXWUHKLSA-N 426.330 4.906 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(Nc3cc(Br)cnc3C#N)ccc2C1 2167613643 NYSAXLUVISUUMK-UHFFFAOYSA-N 429.318 4.753 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)[C@@H]2CCCC[C@@H]21 2174562213 KUQSHTVXLGTFIP-MOPGFXCFSA-N 434.378 4.685 30 10 IJEE C[C@H](CCC[C@@H](C)C(=O)Nc1cc(Br)ccc1C#N)NC(=O)OC(C)(C)C 2181046337 KIFVHRBZPRQMCV-ZIAGYGMSSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2ccc(C#N)c(Br)c2)(C(F)F)CC1 2227497323 FFPLQUPSQJJFEH-UHFFFAOYSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@@H](O)C#Cc1ccccc1Br)C2 2235745229 UXZNDNFDERZSKW-FHWLQOOXSA-N 434.374 4.730 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)C1CCCCC1 2243910257 GFULYFIKOVIJEF-DEOSSOPVSA-N 445.563 4.892 30 10 IJEE CN[C@@H](C#Cc1ccccc1Cl)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2252757654 HXQOYOAAGVQTGD-OFAXGOBFSA-N 442.987 4.778 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[C@H](O)C#Cc2cccc(Br)c2)CC1 2296227132 MEZZEPUOBDFHJF-QWFCFKBJSA-N 436.390 4.883 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2296277684 VMMBFPTZHAYDGY-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE COc1ccc2c(c1)N(C)C(=C1SC(=Nc3ccc4ncccc4c3)N(C)C1=O)S2 2297453582 NYIYQEGKXPCFFK-UHFFFAOYSA-N 434.546 4.847 30 10 IJEE C=CCC[C@H](C)[S@](=N)(=O)c1cc(I)ccc1Br 2300851507 LRAJSDUEQITYQX-XYZCENFISA-N 428.133 4.814 30 10 IJEE CC[C@](C)(COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317354549 PRQNKVPVZKTIIH-YAOQVBECSA-N 432.370 4.798 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c(cc4c(c3C)OCN(C[C@@H]3CCCO3)C4)C2=O)cc1 2322307738 VNIUTLGRMKFMSJ-QFIPXVFZSA-N 448.563 4.788 30 10 IJEE CCCOC(=O)COc1c(C=CC(=O)c2ccccc2)cc(Br)cc1OC 2322545931 LVRZVYMULLXORF-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OC 2323068376 CPBMMACCZPNPEG-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1OCC(=O)NCc1ccco1 2323302205 ZESUQKYPRKFQBE-UHFFFAOYSA-N 433.504 4.805 30 10 IJEE CCn1cc(C=C2Oc3c(CN4C[C@@H](C)O[C@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21 2324017514 AWXPANBDUMLNCS-QZTJIDSGSA-N 446.547 4.901 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)cc1 2325200765 VTAIZFAZICDYGV-UHFFFAOYSA-N 440.455 4.929 30 10 IJEE CCCSc1nnc(CCCOc2ccc(CC)cc2)n1N=Cc1ccc(O)cc1O 2326341661 ADCLQMBXZHHRNI-UHFFFAOYSA-N 440.569 4.648 30 10 IJEE FC1(F)C[C@]1(CS)COCc1cc(I)ccc1Br 2326919821 RIBVRUJVEGPJAC-LLVKDONJSA-N 449.098 4.526 30 10 IJEE CCc1ccc(C=Nn2c(Cc3cccs3)nnc2SCC(=O)OCC(C)C)cc1 2330431272 DPVAUVVKWCGUMO-UHFFFAOYSA-N 442.610 4.666 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccncc2)cc1 2330546711 ZMVDYTQHRXEGML-UHFFFAOYSA-N 448.577 4.577 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2cccc(F)c2)cc1C 2331430478 YSHNVRPIZGZBBE-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c(OC)c1 2331716939 RLZSBLKLUKRYSF-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CN[C@@H](C#Cc1ccnn1C)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2342004106 VBMGHJCIORUDJK-SANMLTNESA-N 437.543 4.890 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)C#Cc1cccc(Br)c1 2360196014 IAINARUSMQUWNY-YTQUADARSA-N 432.358 4.938 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC(Nc3cc(Br)c(C#N)cc3F)C[C@H](C2)C1 2365496943 HBMYSUVKUCZLEQ-STQMWFEESA-N 438.341 4.907 30 10 IJEE N#Cc1cccc([C@@H](c2nnnn2C2CCCC2)N2CCC(Cc3ccccc3)CC2)c1 4968304 BBXLVVXSPQHWIP-VWLOTQADSA-N 426.568 4.704 30 10 IJEE O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCN(c2cccc(Cl)c2)CC1 16524160 CPUXDXBUTASWOP-COOPMVRXSA-N 448.929 4.726 30 10 IJEE COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)c1 33321110 IFPHRLBMSAHOFG-HJPURHCSSA-N 432.476 4.664 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)c1 38593414 UKSLFFZWMDGIJD-YKSBVNFPSA-N 445.515 4.699 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccnc1SCc1c(C)noc1C 62888107 QUOGJGLBZJSFPT-UHFFFAOYSA-N 438.509 4.715 30 10 IJEE Cc1ccc(/C=C\c2nc(C#N)c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)o2)cc1 102887452 CLCJQWZEVXMUNW-KTKRTIGZSA-N 432.911 4.641 30 10 IJEE Cc1c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)sc2nc(C(F)(F)F)ccc12 106146729 KZBABJNWDUPLJK-UHFFFAOYSA-N 448.445 4.597 30 10 IJEE CCCN1C(=S)N[C@H](c2cc(Cl)c(O)c(OC)c2)C(C(=O)c2ccccc2)=C1C 169928675 KOWGCGRDXYQVJD-LJQANCHMSA-N 430.957 4.852 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1 170055365 PLGKOKWZIWHCAJ-RUZDIDTESA-N 429.491 4.966 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cn(C)c2ccccc12 170085997 NDUPBRQQJCYMMR-HSZRJFAPSA-N 448.494 4.847 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(C)cc2C)=C(N2C[C@H](C)O[C@@H](C)C2)C1=O 170095005 MCCKZBSEQXMWDR-SFTDATJTSA-N 426.601 4.853 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1sccc1C 170107308 DCHHZDTWFFYPEK-FQEVSTJZSA-N 426.582 4.593 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(O)cc2)cc1 170133497 MEZPQKAYYFYXFP-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1cccs1 170161307 RWQBEQLGASKGIP-FQEVSTJZSA-N 434.448 4.550 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccn2)c1 170169881 RHYNZZXWMSFNPV-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@H]3c3cccnc3)oc12 170185747 XRCODBBIWJJJIZ-QFIPXVFZSA-N 440.455 4.928 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)c(C)c1 170227347 XFIIXYZUJCSGIT-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170266505 WYKRBNNGWHLJIU-XMMPIXPASA-N 447.531 4.931 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccn1)c1ccccc1 170416667 KXSSUAINOOSKPU-FQEVSTJZSA-N 438.405 4.879 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)Cc3cccc4ccccc34)nc12 170509613 ACVUJTQXZZWCBJ-UHFFFAOYSA-N 447.498 4.944 30 10 IJEE CCC(C)=NNc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC(C)(C)OC3 263632020 HQIGLKJMUPEHJQ-UHFFFAOYSA-N 426.542 4.505 30 10 IJEE C[C@@H](N/C(N)=N/Cc1cccc(COC2CCOCC2)c1)c1ccc(Cl)cc1Cl 304761378 UJIXEXPAZAZEON-OAHLLOKOSA-N 436.383 4.855 30 10 IJEE CC1(C)OB(c2cc(Cl)ccc2NC(=O)c2cscc2Br)OC1(C)C 405003857 NPCLEVCCXWUGMC-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN3c3ncnc4ccccc34)cc2)c1 442495115 ZURPVNCXKPNMKL-XMMPIXPASA-N 435.487 4.901 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC 470521634 NDXZERVTOGMDTD-HNNXBMFYSA-N 433.892 4.882 30 10 IJEE CSc1nc(O)c(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1C#N 477704511 PXUFMGIRWCXMCR-UHFFFAOYSA-N 436.440 4.775 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N3CC4(CCOCC4)c4ccccc43)s2)cc1 479556172 PTMAJJOADBPBHZ-UHFFFAOYSA-N 430.533 4.706 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCc1nc(-c2ccc(COc3ccccc3F)cc2)no1 518339774 WAWBOPHEDPXZNW-UHFFFAOYSA-N 444.466 4.829 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2C(=O)O)c1 526488727 MKEZPUXKWWITDU-QHCPKHFHSA-N 440.455 4.712 30 10 IJEE CC(=O)c1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(Sc2ccccc2)C1=O 526659192 LNNDYYOGEIJMMV-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526663388 WNXGKDGHNYZAAH-UHFFFAOYSA-N 436.496 4.728 30 10 IJEE CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(O)cc1 526820651 AQHJIGKKSYLOFP-MTJSOVHGSA-N 431.359 4.873 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc1 561963083 KYFVUAPBGWGLBF-UHFFFAOYSA-N 433.386 4.680 30 10 IJEE CC(C)(C)OC(=O)c1cnc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1 571809852 AKZIJCQOMDOKQX-GOSISDBHSA-N 448.910 4.993 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)NCc2nc(-c3ccncc3)cs2)cc1 573155648 XCVLTHQVOOSGTK-UHFFFAOYSA-N 426.501 4.586 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 577195049 ROACYRBFSGKNHP-IERDGZPVSA-N 437.475 4.535 30 10 IJEE CCOCCCNC(=O)Nc1ccc(C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 586636276 LDKUNXFFGDBVRF-UHFFFAOYSA-N 428.558 4.718 30 10 IJEE C=CCCCN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 605677879 KOTVWLRXSVNSJK-UHFFFAOYSA-N 441.380 4.761 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c(F)c1 610331772 GHYXURRIEJJXNL-UHFFFAOYSA-N 445.317 4.829 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 735569929 FREBXBPALZTFRT-PGRDOPGGSA-N 445.485 4.922 30 10 IJEE C/C(=C/C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1C(F)(F)F 743737775 ZHKAYUYAWVHQPE-QINSGFPZSA-N 429.442 4.580 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 743809908 MWHHWWDJYOORCL-GOSISDBHSA-N 425.533 4.502 30 10 IJEE CCc1cc[n+](/C(C(=S)Nc2ccc(OC)c(F)c2)=C(/O)c2ccc(C#N)cc2)cc1 762441414 SVUURXRMDROSCP-UHFFFAOYSA-O 434.516 4.879 30 10 IJEE C[C@](O)(C1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1)C(F)(F)F 767328192 AGZFPNLPSGBXOV-FQEVSTJZSA-N 437.487 4.522 30 10 IJEE C=CCn1c(-c2cccnc2)nn(CN2CCC(c3nc4cccc(C)c4o3)CC2)c1=S 780503039 CHHHDCMMYXCRQQ-UHFFFAOYSA-N 446.580 4.949 30 10 IJEE CCCC(C)=NNc1nc(SCCC(=O)NC(c2ccccc2)c2ccccc2)n[nH]1 1084112584 PTEYCSHKFPIJEL-UHFFFAOYSA-N 436.585 4.781 30 10 IJEE C=CCOC(=O)c1sc2[nH]c(-c3ccccc3COc3ccccc3)nc(=O)c2c1C 1115862058 SATABJURBQLMBJ-UHFFFAOYSA-N 432.501 4.882 30 10 IJEE C#CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CCCCC1 1124183059 XACUOPYQLNODRD-MXBUBSDBSA-N 442.625 4.702 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1)c1nc(-c2ccccc2)cs1 1124413229 DNRVXHGNLZLWHC-GOSISDBHSA-N 435.524 4.830 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 1125323105 AZTCVZQOMRZUPT-OAQYLSRUSA-N 425.488 4.760 30 10 IJEE C=CCn1cc(C(=O)Nc2ccccc2OCc2ncc(-c3cccc(Cl)c3)o2)nn1 1125672193 BVMSAEKRMUCZQT-UHFFFAOYSA-N 435.871 4.604 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 1126052858 CMPKMLWLNCXDLV-DOMZBBRYSA-N 444.354 4.765 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)nnc1-c1ccc(Cl)cc1 1126449640 UUSNIKPVQAKVRJ-HTAPYJJXSA-N 449.020 4.539 30 10 IJEE C#CCOc1ccc(COC(=O)Cc2cc(OCC)c(OCC)cc2Br)cc1 1127864033 HFCDAUWBXBXLDB-UHFFFAOYSA-N 447.325 4.544 30 10 IJEE C#CC[C@]1(C(=O)OCc2ccc(C)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1128171246 HOHIZXAWENVAIF-OAQYLSRUSA-N 436.346 4.594 30 10 IJEE Cc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)cc1 1129474031 HRSVMEAZKKYLMX-CABCVRRESA-N 437.594 4.926 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)C(=O)OCC 1132934697 SKRDCDGGEFOYMV-QFIPXVFZSA-N 448.519 4.547 30 10 IJEE N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(Oc3cccc4ccccc34)cc2)cc1 1138889483 HPFNZZLYANIVGO-UHFFFAOYSA-N 435.483 4.550 30 10 IJEE C=C[C@H]1CCCCN1C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1139595375 XTNIUVQQTTTWRN-QFIPXVFZSA-N 441.616 4.503 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@]2(C)CCCc3ccccc32)n(-c2ccc(F)cc2)c1C 1168423254 GCVXNBKUOYSKJH-SANMLTNESA-N 430.527 4.885 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 1168801438 OOGRDOLRVLMEPN-RUZDIDTESA-N 442.559 4.896 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc3nc(O)n(C4CC4)c3c2)s1 1175447690 VXHREZGWBQCKLV-UHFFFAOYSA-N 434.974 4.868 30 10 IJEE CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@H]1c1ccccc1 1187778270 FYJUJSWNNALGEU-DNVCBOLYSA-N 433.371 4.525 30 10 IJEE C=CCC[C@@H](NC(=O)NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1222934277 VDEKNXJQBVQNGQ-QGZVFWFLSA-N 427.467 4.631 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 1230269141 UNWQIKYKQOEDEH-BWAGFHJFSA-N 448.485 4.542 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2c(Br)cccc12 1264577966 GOGUMKCUWOVSDL-UHFFFAOYSA-N 436.353 4.678 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H]1CCO[C@@H](C)C1 1286400758 GANIDEZZLISFIZ-PMACEKPBSA-N 436.625 4.554 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286420300 BWCJSSLDXLZLQP-ROUUACIJSA-N 445.445 4.610 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286560726 IKBHKIHXEZGYJL-IKVWTGGYSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)c1cccs1 1286566972 QOGGQPBHKWRWLO-UHFFFAOYSA-N 435.553 4.585 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(F)F)C1 1286625042 SMPZHBJBTAKSND-LBPRGKRZSA-N 431.712 4.942 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1286640301 IGUNGZZUXFMZLR-KBMIEXCESA-N 442.604 4.694 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286672683 GXFVXHCDGGEYDL-PKTZIBPZSA-N 426.568 4.610 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCC[C@@H]21 1286698785 HDXYPYMDRCUPHX-QUCCMNQESA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC(C)C)nc1 1286718205 AXGOBVNPOPLIIS-QGZVFWFLSA-N 437.613 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](OC)[C@H](C)CC 1286719315 FSERSDFAMSEWQC-DYVFJYSZSA-N 425.346 4.530 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1286721537 XYRQCSHUGWQCRT-BGYRXZFFSA-N 432.616 4.872 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)c(F)c1)C1CC1 1286733575 FJMPRYNBEAKMFP-UHFFFAOYSA-N 448.315 4.527 30 10 IJEE C=CCN(c1nnc(CCOc2ccccc2)n1Cc1nc(C(C)(C)C)cs1)C1CC1 1286736733 FVELPSVKSRUACH-UHFFFAOYSA-N 437.613 4.857 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCCC2)n1C[C@@](C)(O)c1ccsc1 1286764475 QHUNVVCPFNVFCQ-HSZRJFAPSA-N 426.586 4.733 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1286777408 YPTCASVBVJFFLM-FGZHOGPDSA-N 437.632 4.696 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CC(C)C)C1 1286826072 VTZJVTWSSICLHD-OAHLLOKOSA-N 438.439 4.827 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@H](COC)C1 1286826298 DEZQUEGLCBVXTK-SFHVURJKSA-N 426.586 4.863 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](CCN(CC)CC)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1289798218 WHWOJMFYMSJKJW-NVQXNPDNSA-N 443.632 4.922 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1297859670 GEQQZNVVZXVINP-SFTDATJTSA-N 440.661 4.515 30 10 IJEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(C)(C)C)C2)CCCCC1 1298041932 FIFMADAKOAZDKT-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1csc2ccccc12 1300276242 JLMQVBMVBLCBRJ-ZDUSSCGKSA-N 440.370 4.757 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1300348911 ODVFEVOPOFWMQQ-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1CC1CCN(Cc2cccs2)CC1 1300449069 AZAIYQLEWVIQGI-UHFFFAOYSA-N 440.016 4.642 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@@H](C)C1CCC1 1300873913 ISVQRDREYMNCMR-SCWSEQNSSA-N 429.996 4.990 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1300887198 ALEGGUUEAACXSE-RCZVLFRGSA-N 449.574 4.799 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC[C@@H](C)C1 1301176088 PELVGUYVPQHOLI-GOSISDBHSA-N 444.649 4.529 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@H](C1CCCCC1)N(C)C 1301351159 LLRBUAUSOLWALK-HSZRJFAPSA-N 425.596 4.998 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1301354637 FDMDLRCNWQQKID-WIOPSUGQSA-N 449.574 4.657 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCc1csc(CC)n1 1301359697 NMFYDZLBGOUMIU-UHFFFAOYSA-N 436.610 4.856 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1(c2ccccc2)CC1 1301473786 MGELHFBEFHWFBJ-FQEVSTJZSA-N 437.588 4.704 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1306268769 HAGZSYZYTLBXNB-ZYBREQRGSA-N 433.556 4.559 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(OC)CCC(C)CC1 1306578711 GFNRYKZLKZXFNQ-CMAULLTDSA-N 439.604 4.949 30 10 IJEE C=CCC[C@H](NCC(=O)NCc1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1307616728 BNERIBVOUVXFEQ-QFIPXVFZSA-N 442.485 4.804 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)cc1 1309331002 UPEKHECDRMLLNP-FQEVSTJZSA-N 445.585 4.568 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2OC)cc1 1311302639 MHYPAFUQAXIZQT-OAQYLSRUSA-N 435.524 4.502 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1312535004 IULYBIYMTHJMHY-WBCYEJBOSA-N 435.515 4.669 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(F)cc3Br)cc2)nc1 1351716507 CURSCQSXXXVCSK-UHFFFAOYSA-N 426.245 4.828 30 10 IJEE COC(=O)C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccc(F)cc1 1355963974 FBLYXROTJQOSIQ-JOCHJYFZSA-N 432.451 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCCC[C@H]1C 1358873503 JZNYJZIOCKNFKY-XZOQPEGZSA-N 433.644 4.861 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1358904409 DISCSOHSKLMJIZ-YUXAGFNASA-N 426.536 4.509 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1Cc1cccs1 1358922265 YUAMKKGMCOUJHM-MRXNPFEDSA-N 444.402 4.722 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCO[C@H](C)C1 1358970957 BVERZAMMTIBAPR-IAGOWNOFSA-N 438.984 4.701 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCSC(C)(C)C1 1359051214 PMXMCYUMFVOBRK-MRXNPFEDSA-N 446.711 4.830 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC2(CCC2)C[C@H]1CC 1359137733 YYFWUHAUZKKIER-NJDAHSKKSA-N 430.637 4.948 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N(C)CCCC)CC1)c1ccccc1 1359138035 HYAPLYHUPJLRLS-HXUWFJFHSA-N 437.632 4.980 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCCSC 1359144509 LARBNSDTVFHVJJ-UHFFFAOYSA-N 445.814 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc([N+](=O)[O-])c1 1359192887 QXCFDRAMOGPORU-KRWDZBQOSA-N 443.458 4.976 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC(F)(F)CO1 1359277010 ZYJDVLFFSCYVFN-NRFANRHFSA-N 442.510 4.760 30 10 IJEE C=CCOc1ccc(CN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)C(C)(C)C)cc1 1435953425 KASVILKKDXGHJL-UHFFFAOYSA-N 437.515 4.701 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c1 1457500321 ZWSOEBBBOAXQQE-SJORKVTESA-N 432.973 4.592 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1[C@H]2c3cccc(Br)c3C[C@H]21 1459981424 VEHCXLJSHGDHBQ-HLAWJBBLSA-N 428.374 4.717 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 1461046555 NXCXBYWDHSRYOW-XNRGHRQISA-N 434.561 4.943 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1 1463703822 WBWQCRRZLZZHDC-UHFFFAOYSA-N 439.581 4.810 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472907264 ADUZUDPBILUSRK-IFXJQAMLSA-N 440.590 4.775 30 10 IJEE C#CCOc1cccc(Cl)c1CNCc1c(Br)cncc1Br 1474153625 AKCZGBLMUXAQOX-UHFFFAOYSA-N 444.554 4.562 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3CCN(c4ccccc4F)C3)c2)s1 1477971584 HCESPGDEGYSUQN-SFHVURJKSA-N 434.540 4.752 30 10 IJEE C#CCN(C(=O)NCCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCCc2ccccc21 1478505841 TVDWWJMVUHQDOU-JOCHJYFZSA-N 430.470 4.893 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1507540911 GSNVJOUAPTUEQM-HOKHCIIBSA-N 447.652 4.666 30 10 IJEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1507581170 NJSLGPZVSHHVKT-UHFFFAOYSA-N 446.555 4.596 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C1CC(C(C)(C)C)C1 1507644947 QDBHIOHJLROCJW-UHFFFAOYSA-N 425.374 4.778 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(CC)CC1 1507809058 SEKDJLBZJKWHAC-RCZVLFRGSA-N 438.616 4.680 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2nc3ccccc3s2)nnc1C(C)(C)C 1507811735 UKTIUXMRVIBEAZ-OXQOHEQNSA-N 425.602 4.803 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)CC(C)(C)C1 1507849531 ZDOJBBRMYBQKAA-FQEVSTJZSA-N 426.605 4.885 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1507908788 FMVZNGTVDMOSRF-XMMPIXPASA-N 438.597 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1 1507917404 ONVZYMQTSKNKOM-UHFFFAOYSA-N 425.621 4.552 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C#N)C1 1507927259 ZZDIDABMJIWIKI-HNNXBMFYSA-N 427.961 4.898 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1507938855 JFXRSGYQTXZYBM-UHFFFAOYSA-N 449.624 4.558 30 10 IJEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507959836 JUPCGQBVFOIWSR-VQIMIIECSA-N 447.505 4.664 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@](C)(O)CC)C1CC1 1507988903 SYKUGKJSQQPEDH-IBGZPJMESA-N 439.785 4.677 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCc1nccs1)C1CC1 1507989620 CUPCUEDHSTWOQP-UHFFFAOYSA-N 448.365 4.701 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1C[C@H]1C 1508001465 SICQRNPTKBULHI-WBVHZDCISA-N 426.362 4.884 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2CCC(F)(F)CC2)C1 1508111901 KPCIXLWERGDTOF-GOSISDBHSA-N 432.515 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 1524836555 XAABYXRSCWNJFG-ILEGPTGMSA-N 438.593 4.638 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 1527023759 NFIDWOKPTIQPAL-UHFFFAOYSA-N 445.540 4.721 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)OCc2ncsc2Br)c1 1529673053 FUHORUPJOQZDEQ-UHFFFAOYSA-N 429.295 4.713 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1OC 1530176665 MHGYHDSZFFSBQH-WEVVVXLNSA-N 446.906 4.541 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCc1cscn1)c1ccc(Br)cc1 1535483707 QKLRGUTYEDWNDN-GOSISDBHSA-N 427.323 4.589 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC2(CCOCC2)C1 1539079671 YKUBOIIJFIOESF-UHFFFAOYSA-N 436.600 4.674 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1539148611 QVJNDZDAYIXZBZ-MOPGFXCFSA-N 444.023 4.651 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1539530208 CTKFSYCTZMMHLG-ROUUACIJSA-N 433.046 4.825 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCCC=C 1539556432 CIZMSKJVTQJUFZ-RUZDIDTESA-N 441.620 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1cccs1)N(C)C 1539651697 JFVMPZOSMUCWQP-HXUWFJFHSA-N 425.602 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1539906647 RSYPLHDYRHUAQP-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N(C)C2Cc3ccccc3C2)nnc1C(C)(C)C)C(C)C 1540151391 HIQQLPMFYNOMOY-DEOSSOPVSA-N 435.660 4.878 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1ccnc(N2CCCCC2)c1 1540161333 CNEXHOYCMVVVJX-UHFFFAOYSA-N 432.547 4.696 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2N(C)CCCC2(C)C)C1 1540885336 GSQSJSZZONEXLD-LEWJYISDSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cc(C)cc(C)c2)C1 1540887579 ZNRREXGTSDTNBH-OAQYLSRUSA-N 437.975 4.634 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CN2CCSCC2)ccc1C 1542456045 BHGBREIIUXBFTR-FQEVSTJZSA-N 447.645 4.732 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1(C#N)CCC1 1544209110 FERQREJKKRHEDS-UUOWRZLLSA-N 445.563 4.844 30 10 IJEE CCc1ccc(Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@](F)(C#N)C2)s1 1546257552 DLHXOGYMSDYGGA-QFIPXVFZSA-N 441.601 4.993 30 10 IJEE CCN(Cc1cccc(Br)c1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 1559502172 DTDDKDVKLXRFLU-SFHVURJKSA-N 428.374 4.915 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(-n2cnnn2)c(C)c1)c1ccc(C(F)(F)F)cc1 1562126046 WWHQJHMDDFSWLJ-GOSISDBHSA-N 430.434 4.819 30 10 IJEE CC(C)c1ccc([C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(C)C)cc1 1563611789 FWNFGMFOWIEZGK-ZEQRLZLVSA-N 432.568 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 1564013327 ALKKDKPOWULQER-HXUWFJFHSA-N 433.930 4.980 30 10 IJEE C=CCSCCNC(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1564545189 FFFMVXZXWIFBAG-UHFFFAOYSA-N 441.000 4.954 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N3CCc4cc(Cl)cc(Cl)c4C3)CC2)c1 1565004998 HUHCPPWYDVFMOV-UHFFFAOYSA-N 443.378 4.597 30 10 IJEE C#C[C@@H](NC(=O)N(C)CCCN1c2ccccc2Sc2ccccc21)C1CCOCC1 1565105372 GLRBCTOXCLFNNM-HXUWFJFHSA-N 435.593 4.749 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2cc1NC(=O)C(C)C 1584747049 CTBUCILCGYUHHP-UHFFFAOYSA-N 429.520 4.595 30 10 IJEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)C(C)(C)C 1586474861 TZDMYCQMVTUTQV-UHFFFAOYSA-N 447.000 4.514 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ccc(Cl)s1 1587598836 HLHRZPGPVSMBIN-HNNXBMFYSA-N 444.988 4.964 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)c2occc2COc2cccc(C#N)c2)CCC1 1587924203 GBOIFLSKEXNONY-UHFFFAOYSA-N 429.520 4.515 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(N2CCCCC2)nc1 1587937685 QXUNYOYHIAEOOT-UHFFFAOYSA-N 442.611 4.746 30 10 IJEE C=CCCC[C@@H](NC(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1589390867 UJOIULIOTNWTSI-CJFMBICVSA-N 441.572 4.746 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCCSC)CC1 1594091152 URMIKWOSYNQWAP-LJQANCHMSA-N 449.665 4.692 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(Br)n2)CC1 1594409177 UEIUUWITBXZSEV-UHFFFAOYSA-N 430.394 4.619 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCCn2ccnc2C)CC1 1594438755 YXKQWMYCXJSJRV-FGZHOGPDSA-N 440.636 4.584 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1)c1ccccc1 1594544831 NBZDCJXVQRZJLX-ATIYNZHBSA-N 438.616 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)N1CCC(C)CC1 1594907375 VAQREFFHJYCRQF-GOSISDBHSA-N 446.437 4.759 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1CCN(CC)C(=O)OC(C)(C)C 1595116532 SNWPEIXIOJTFAR-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCC(C(F)(F)F)CC1 1595233977 BLFPUVFZOAIUAP-JEVOJNTISA-N 442.526 4.549 30 10 IJEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC2(CCOCC2)C1 1597362586 DIZNKSYWYIGFOE-UHFFFAOYSA-N 439.629 4.745 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)cc(Br)c1O 1597674126 HCKVKFKITJKZIH-CQSZACIVSA-N 427.339 4.651 30 10 IJEE C#CCN(C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)C1CCN(C)CC1 1611145719 SIDVESZRZUCIKN-UHFFFAOYSA-N 443.956 4.569 30 10 IJEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](SC)C(C)(C)C 1615563093 DIRXSFAIYDTJMM-UXHICEINSA-N 427.618 4.600 30 10 IJEE C=C1CCC(C(=O)N2CCOC[C@H]2C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1617381185 BNMKIKTUDBLARD-NHCUHLMSSA-N 440.584 4.889 30 10 IJEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)C1 1619682321 FEGQMZLQHJUMFD-TZIWHRDSSA-N 443.542 4.895 30 10 IJEE CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CCC(C)C 1620191466 FWIPLRKJWONHIE-AWEZNQCLSA-N 439.427 4.553 30 10 IJEE N#CCCN(CC1CC1)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCSC1 1620358836 GQGLUGGCYVSHGM-GOSISDBHSA-N 446.020 4.784 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(F)cc1Br 1621586676 SVQTVLWDQVPZPI-UHFFFAOYSA-N 438.771 4.821 30 10 IJEE COc1ccc(Cl)cc1[C@H](CC(C)C)NS(=O)(=O)c1ccc(C#N)cc1Cl 1621814459 HUKHEMTZHBIGKA-KRWDZBQOSA-N 427.353 4.939 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@H]3c3cncc(Br)c3)cc2n1 1627664638 WSDQXFVGUFOWEH-IBGZPJMESA-N 426.318 4.749 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNC(=O)c1cccs1)c1ccc(C)c(C)c1 1628569415 MOAGXQQWGVAQKM-UHFFFAOYSA-N 434.561 4.893 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 1628588575 YWRSQWBBOYVLSZ-APWZRJJASA-N 447.963 4.956 30 10 IJEE C=CCN1CCC(NC(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)CC1 1631233212 WJRSUWFWBLXWGG-UHFFFAOYSA-N 434.422 4.644 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)s1 1631507224 CDWONQIMGCZPDE-XLIONFOSSA-N 437.030 4.953 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C 1634739433 OKOAEACZUSRVED-QGZVFWFLSA-N 438.952 4.545 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 1635450941 TTWUMVPTXQHLOG-DSITVLBTSA-N 425.617 4.586 30 10 IJEE C=CCOC[C@@H](NC(=O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1)C(=O)OC 1639559036 SHBAHJFJRXBFQS-QGZVFWFLSA-N 440.348 4.619 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 1640202696 WGRKIAUDADNOST-KRWDZBQOSA-N 442.478 4.940 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCc2ccccc21 1644411031 SXEXHZRBJXIOMG-RUZDIDTESA-N 441.506 4.639 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)C1 1649662672 FOHITGWZODDCAR-LEWJYISDSA-N 439.629 4.886 30 10 IJEE Cc1cc(C(=O)COc2nc(C(C)(C)C)ccc2C#N)c(C)n1Cc1ccc2c(c1)OCO2 1652055412 IDKNAPNUUFEFSQ-UHFFFAOYSA-N 445.519 4.708 30 10 IJEE C=CCn1c(S[C@H]2CCN(C(C)C)C2=O)nc2sc(-c3ccccc3)c(C)c2c1=O 1652572145 ITQFWNWBQJOITP-KRWDZBQOSA-N 439.606 4.721 30 10 IJEE C#CCN(CCC(=O)Nc1cccc(F)c1C)[C@@H]1CCOc2ccc(Br)cc21 1653388214 GVUAUMVFACVOQF-HXUWFJFHSA-N 445.332 4.684 30 10 IJEE N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 1653692026 GONKECKQFSAJHO-UHFFFAOYSA-N 440.462 4.750 30 10 IJEE C=CCN1CC[C@@H](Sc2nc3sc4c(c3c(=O)n2CCC(C)C)CC[C@H](C)C4)C1=O 1656101217 ZMQJVXPZJHXPIX-DOTOQJQBSA-N 445.654 4.508 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccnn1Cc1ccccc1Br 1661022206 AGUWEXDIVXXJEY-UHFFFAOYSA-N 425.330 4.914 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1665791617 DSQLBQUUXLOLSE-XMMPIXPASA-N 426.495 4.762 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)COc1ccccc1F 1667292928 CGMKEUVEIAUZRI-CQSZACIVSA-N 439.300 4.892 30 10 IJEE CCCCn1cc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c(C)n1 1667348920 DTLXIYBERAALPP-UHFFFAOYSA-N 442.972 4.912 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC3CCC(O)(c4ccccc4)CC3)cc2)nc1 1667890838 FGJPVEVZENTNGX-UHFFFAOYSA-N 428.492 4.697 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3Cc4cc(Br)ccc4C[C@H]3C)cc2n1 1674577177 WKVTVMRRNFRWPY-CQSZACIVSA-N 425.330 4.964 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2C)cc1 1682742155 CFPLZHVTFVDFSQ-NRFANRHFSA-N 427.342 4.816 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1 1683768624 KCZVCWRHBOVIGS-UHFFFAOYSA-N 447.624 4.731 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cnn2ccccc12 1689841810 OGERKTLEJQNPKL-HXUWFJFHSA-N 442.567 4.524 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](c2ccco2)C1 1689882751 KOCBJBPNSYTEBU-HXUWFJFHSA-N 434.540 4.743 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCCCC2)C1 1689915126 QNLZOSVWSJJXPX-UHFFFAOYSA-N 443.389 4.661 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC[C@H](COC)C1 1689916149 BCHMGKHLNXWXQH-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1689918236 VUJJQEKNQLZJST-NRFANRHFSA-N 449.643 4.645 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1689918329 YUBIIHDSGWTTMP-JOCHJYFZSA-N 449.643 4.789 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1689938744 VCFHWIWVWXEEMQ-QHCPKHFHSA-N 430.980 4.565 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OC)c(F)c1 1690063847 QXLZMXIYGGTFSW-INIZCTEOSA-N 438.572 4.787 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(O)CCCCCC1 1690086094 QUNPGZJNLMHQGD-UHFFFAOYSA-N 433.021 4.769 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)C[C@@H]1CC 1690230041 OYMHIWJDXFEEJI-OCCSQVGLSA-N 425.321 4.681 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1690380382 MOZIDIJRENIPRF-LVXARBLLSA-N 438.616 4.996 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSCC(C)C)CC1 1690415675 UCEJMFLWDBTWNC-UHFFFAOYSA-N 425.602 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690435031 OOFMTJRMOJCPQT-QFIPXVFZSA-N 437.632 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1690437621 JYQOPFPZEHNQFF-UHFFFAOYSA-N 443.611 4.909 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc2c(c1)OCCO2 1690450025 XYNDHORVMFFHIU-NRFANRHFSA-N 426.561 4.522 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1690472126 FOLXFFQHPZUMQQ-AZUAARDMSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690475158 HJVPZUCXVWHYTC-NZSAHSFTSA-N 431.378 4.535 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1690490306 WFPCGVGZGHUMMT-OAQYLSRUSA-N 439.604 4.523 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690491363 ALUAXPQKJDKYPH-UHFFFAOYSA-N 434.588 4.553 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1690553659 BTRREKKQCPMHGD-WOVHNISZSA-N 438.616 4.718 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2cccs2)C1 1690691930 NSKOXQZHLVTISY-QGZVFWFLSA-N 444.988 4.693 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2Cc2ccsc2Br)C1 1690692033 PXLQJPVCQXVXEP-KRWDZBQOSA-N 445.386 4.599 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C#N)CC3)n2CCc2ccncc2)c1 1693015128 FXWVNGOHIRYSOL-UHFFFAOYSA-N 444.583 4.667 30 10 IJEE CO[C@](C)(Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1697097145 GHGRZRWABCSPBS-YRUKQIKQSA-N 441.551 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCSCC(C)C 1705482643 DOGPMRXOVXFRLE-CYBMUJFWSA-N 427.437 4.616 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1CC 1705515541 GWZHAJCWLGRRLY-VQTJNVASSA-N 429.609 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCSCC(C)C 1705544187 HBXVOOLYQYAENR-UHFFFAOYSA-N 439.398 4.695 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1705681382 UEJRPRAXAOSNRN-RKVPGOIHSA-N 435.341 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)CCC 1705696643 PQAQKMIRCRHRSZ-KPLVRAHFSA-N 426.561 4.527 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC(=O)NC(C)(C)C 1705710891 TVXHCTNPNQWISA-FQEVSTJZSA-N 441.620 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(F)cn1 1705712128 KYGZQBLWSMUNLW-UHFFFAOYSA-N 448.315 4.832 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1705782698 FNYPTAFBCPSAHG-UHFFFAOYSA-N 431.625 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705790227 NHYNJXSXMANTPP-SFHVURJKSA-N 445.007 4.975 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2c2cccc(OC)c2)nnc1[C@]1(OC(C)C)CCOC1 1705824222 JSAPYYDFBLZENL-DHLKQENFSA-N 440.588 4.635 30 10 IJEE C=CCCCn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1705824691 XZBOMGADSGZZLR-IBGZPJMESA-N 447.549 4.787 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC1 1705862966 CBQCCRQDMOOAKN-OYRHEFFESA-N 437.588 4.651 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1CC2(CCOCC2)C1 1705869609 ZTPFULIIBCPDOR-UHFFFAOYSA-N 449.599 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@H](C)C1 1705870222 OYBOUMQIVLIAMB-IAGOWNOFSA-N 431.378 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1Cc1nc2c(s1)C[C@H](C)CC2 1705875289 NRTHRRABDBNARW-GOSISDBHSA-N 449.624 4.686 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncc(Cl)n1C 1705940671 LMRPJECRGHHFAC-UHFFFAOYSA-N 437.400 4.541 30 10 IJEE CCC(C)(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C#N)C1 1708303434 CHWADNXJCKDHCT-IEBWSBKVSA-N 445.995 4.853 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722310578 LTZPYXMCQGTWEW-XZOQPEGZSA-N 446.599 4.779 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722310922 PVMTXARRXZGUEW-SFHVURJKSA-N 438.963 4.553 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](CC)O[C@H](C)C1 1722312008 RBWATSBTMLYPQO-WBVHZDCISA-N 449.368 4.654 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1722327666 MYEDZZVOXZKTRA-GHTZIAJQSA-N 430.980 4.736 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1722337486 BKHXKPVMTJEXHO-SJORKVTESA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722340041 KVGGBHXEVWUBAK-RXVVDRJESA-N 433.383 4.599 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC[C@](C)(CC)O1 1722356306 LQFSMMGOXPAEQG-YKSBVNFPSA-N 445.007 4.669 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1scnc1C 1722390015 ADNDJLCFYGBMKT-NRFANRHFSA-N 447.608 4.505 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCCc1cccc(C)n1 1722423225 YEYQHOOROZHKTM-DEOSSOPVSA-N 447.558 4.635 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1722519190 NUVCEOSPXTXSHV-ICSRJNTNSA-N 427.980 4.597 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1722538935 AWZPYTOQALJNMZ-GOSISDBHSA-N 425.577 4.562 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1722560625 AIKMOOLNTRNKGM-UHFFFAOYSA-N 432.446 4.992 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1722586887 RYARXQXDEKWQEF-FQEVSTJZSA-N 448.615 4.542 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)Oc1ccccc1F 1722645037 YGXJRYSAEVGPBG-WAOWUJCRSA-N 430.568 4.816 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1Cc1cn2ccsc2n1 1722660282 RESCGFSXGPNTBH-UHFFFAOYSA-N 438.576 4.956 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1Cc1nc(C(F)(F)F)cs1 1722673985 ADSGWDKTQQGIKK-UHFFFAOYSA-N 449.502 4.868 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722674319 BLKCGTKDESOUNR-HFZDXXHNSA-N 448.615 4.679 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CCOCC1 1740664245 JWOHPQPXKLKLJN-QGZVFWFLSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1740724492 DNPHFNCTXCDOBB-NVNZTLJMSA-N 438.547 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H](C)c1ccco1 1740758767 BSWJOIPFRXNNPO-NRYAXDJKSA-N 436.556 4.649 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCC[C@@H](C)C1 1740777043 KSKVAUBAXAVTGO-UXHICEINSA-N 429.584 4.519 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1740787903 LYHXPXHENWRFHZ-FPOVZHCZSA-N 425.533 4.605 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCSC)CC1 1740843046 WGULAPKQHOXUOU-KDURUIRLSA-N 449.665 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1740852732 SEEULKQYRIYHIM-LJQANCHMSA-N 436.959 4.787 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740860023 URXMFVPTQUJTJJ-HXUWFJFHSA-N 439.585 4.653 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCC 1740863195 RLBKANLGQJBMQB-OALUTQOASA-N 435.613 4.568 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740868617 OIMLEZIBUQTQCS-PKOBYXMFSA-N 445.995 4.533 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C)(C#N)CC1 1740871958 UPYXJJLAPSYUSF-UHFFFAOYSA-N 444.377 4.812 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740915720 QAJJLDSWEDPZTA-NHCUHLMSSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1 1740924170 IYYGRJSFDPDERF-FQEVSTJZSA-N 425.627 4.804 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1741495556 BPWSENADZXNABH-SANMLTNESA-N 444.583 4.626 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC#N)CC3)n2CC2CCOCC2)c1C 1742026950 BSRFJSUFTPUBOR-FQEVSTJZSA-N 437.588 4.592 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(=C)Br 1748647107 IXELDAPCYPARFR-CQSZACIVSA-N 442.386 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCc1ccsc1 1749078069 FDBFWTMWFGAIQO-JOCHJYFZSA-N 426.973 4.807 30 10 IJEE C=C(Br)Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1749112138 CJADWHQCZXBBCW-UHFFFAOYSA-N 431.378 4.584 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(CC)C1CCCCC1 1749187374 FIMYRTCURYVHAJ-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1749334972 IJLFSFNFOQHCPJ-DEOSSOPVSA-N 430.600 4.826 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)OCC)C1CC1 1749511997 QETKUZFIYNTNDL-UHFFFAOYSA-N 433.394 4.986 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1749524765 BRRBJOLVNCQCSW-QFIPXVFZSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC=C 1749553428 QFRWCUWEMJZQPX-SFHVURJKSA-N 429.590 4.790 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCO[C@H](c2ccccc2)C1 1749752398 PIBOMCQTHWJKHZ-QFIPXVFZSA-N 435.597 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCN(C)C1CCCCC1 1760097847 KZZZZBYREUMSEM-PMACEKPBSA-N 441.595 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCN1CCC 1760099932 OEALBHATZJBDLM-YKSBVNFPSA-N 444.627 4.685 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCC1CCOCC1 1760162822 HOBPOTIXSBMPEP-LJQANCHMSA-N 445.007 4.965 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C(CC)CC)N(C)C 1760173077 JALYQXGGLVWLEJ-HXUWFJFHSA-N 427.662 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1csc(C)n1 1760289216 MWBFHPWWOKIYKA-QMHKHESXSA-N 439.560 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@]1(C)COCCO1 1760329723 ISXXLLCOPHTCMA-AREMUKBSSA-N 449.599 4.561 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@@H](C(C)C)C1 1760350966 XXMKYXNOQWQUTC-GHTZIAJQSA-N 448.608 4.728 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCCc2cccc(C)n2)CC1 1760405864 KCUQOSIFOABFTF-UHFFFAOYSA-N 435.547 4.735 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nc(C(C)(C)C)cs1 1760459887 JPGNDRWQJXXKIS-UHFFFAOYSA-N 441.601 4.777 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H]1CCCSC1 1760500207 FKGLZDIJFFYNRD-HXUWFJFHSA-N 426.630 4.530 30 10 IJEE CC(C)(C)OC1CC(CCn2c(-c3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1 1760794514 HKEDLYBTAOATCB-OCJFHSIUSA-N 429.515 4.510 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccsc1)N(C)C 1761358579 AEEZTLHKGPETLV-HTAPYJJXSA-N 445.596 4.596 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)C1 1766780675 BQKMTLYLHBRIEX-VQTJNVASSA-N 436.585 4.580 30 10 IJEE CCCCCCCOc1cccnc1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 1858798695 BMJJSEQBVUXJFM-UHFFFAOYSA-N 434.581 4.952 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1C#N 1860658008 DTBKPPSPFFZJJK-QGZVFWFLSA-N 434.565 4.889 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 1861668145 FIEDITYSCORJLA-XLIONFOSSA-N 443.053 4.822 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)cc1 1862459327 HHZYBNVIXFRTEC-OAQYLSRUSA-N 444.453 4.691 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(Br)cc2)ccc1F 1862511059 ICXGATJVMAOGIG-GOSISDBHSA-N 432.289 4.883 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(O)cc2)cc1 1862531689 AWJHVTGVSDVYGZ-XMMPIXPASA-N 443.499 4.742 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862536803 HWNAMPAFKJVQDI-VWNXMTODSA-N 449.547 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc2ccccc12)c1cccc(O)c1 1862593919 ZYWMFGOTVGVBFQ-XMMPIXPASA-N 436.467 4.719 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc2ccccc12 1862609395 LYSYXFRFPLHUCX-XMMPIXPASA-N 443.499 4.845 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc2cc[nH]c2c1 1862651398 RVGFBFZKLZUEFS-HSZRJFAPSA-N 426.472 4.546 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2Cl)cc1 1862662516 YAJXCFSTYLIJTL-NRFANRHFSA-N 426.944 4.603 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 1862724492 NROYTSXEUPHQAX-HSZRJFAPSA-N 431.463 4.717 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 1862952895 ORPRVEHQJZWFQE-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CC(C)Oc1ccc(NC2=C(c3cccs3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1863120006 QWFWJIIVLQMKQQ-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(F)c(F)c3)C2=O)c1 1863131530 AGWRLGCACPMHRN-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE C=CCN1C(=O)C(NCCc2ccc(Cl)cc2)=C(c2cc(Cl)ccc2Cl)C1=O 1863726938 DLMYYFSNLGNUPQ-UHFFFAOYSA-N 435.738 4.745 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](CC)c1ccc(Cl)cc1 1868835830 WCHVDLQWMYMLSV-XZOQPEGZSA-N 442.962 4.901 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)[C@H](c1ccc(Br)cc1)C(C)C 1868855703 YFPAOJVVCXKKEM-PMACEKPBSA-N 435.406 4.674 30 10 IJEE C=CCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN(CCCC)CCCC 1870684285 UGZIMWSTHUXYSU-UHFFFAOYSA-N 427.545 4.924 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CNc1cc(Cl)ccc1C 1871002352 CPDIJEKSERNKIW-UHFFFAOYSA-N 442.899 4.567 30 10 IJEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1871146742 XUXNUNTXTHWYEK-UHFFFAOYSA-N 432.520 4.564 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871434419 SPXUTFWRBGKRGO-RXWSAZGZSA-N 425.437 4.630 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871779223 COYSWZAGNKVQSU-OAHLLOKOSA-N 441.380 4.814 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1871817535 SKEWYVBGMPFASN-HXUWFJFHSA-N 428.598 4.850 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871883983 OHPPDULNDIJJDY-OAQYLSRUSA-N 428.598 4.823 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872108725 IEIIGRUBTUXBSS-JPYJTQIMSA-N 439.581 4.706 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CCCC 1872197626 SSOGAHCRVCGFOZ-FQEVSTJZSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872259124 YGPGXFRIOQKSPC-CYBMUJFWSA-N 445.343 4.727 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872315945 UPKGDNSDQSLOSL-IFXJQAMLSA-N 441.018 4.940 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763016 BZFATHFFMAEFLO-AWEZNQCLSA-N 428.267 4.971 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccncc2)C1=O 1873113207 MPMAPDZRSZHKEH-UHFFFAOYSA-N 427.495 4.590 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(OCC(C)C)c2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873203624 ZZEQVNYQBUXZMG-UHFFFAOYSA-N 441.531 4.890 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)cc1OCc1ccc(Cl)cc1 1873505075 ZWDHFBRRQHKWHL-KCDOPAPYSA-N 444.944 4.542 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCC1=CCCCC1)n2Cc1ccco1 1873600452 PRPSKSGNUWZIKD-UHFFFAOYSA-N 445.567 4.871 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N3CCCCCC3)ncnc21 1873655524 ILRNPWHXLDIYAV-UHFFFAOYSA-N 439.947 4.912 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccccc3Cl)nnc2SCC)cc1OC 1874267383 VDZTUPHDYZPGLW-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(OC)cc1OC 1874324932 ZWKQBTMRNKOUFO-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874335347 NIHJAWZFBBQOCE-MNVTYAKESA-N 447.608 4.794 30 10 IJEE COc1cc(/C=N/n2c(SC)nnc2-c2ccccc2)ccc1OC(=O)c1ccccc1 1874425614 RGRKPDBKILDTHU-PCLIKHOPSA-N 444.516 4.777 30 10 IJEE CCCCc1nnc(SCCO)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874481059 REZOZOKLIPAVII-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE CCCOc1ccccc1/C=N/n1c(C)nnc1SCC(=O)Nc1cc(C)ccc1C 1874529486 LUMRQXIEEDYWBM-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c(OCC)c1 1874632418 WJTZVSLJOGOBHT-NTEUORMPSA-N 449.503 4.668 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)CC 1875094486 VBCIQBNYIDABLX-CMDGGOBGSA-N 448.269 4.968 30 10 IJEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)Cc3cc(Cl)ccc3Oc3ccccc3)C2)c1 1891551372 BPDBFHYPBDHTDP-OAQYLSRUSA-N 433.895 4.621 30 10 IJEE C[C@](Cc1ccc(C#N)cc1F)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951720370 GXNMKNYZVVVCBH-AREMUKBSSA-N 444.462 4.622 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1cc(Br)ccc1Br 1982455066 FHPWECZWAZFDBV-HUUCEWRRSA-N 449.183 4.584 30 10 IJEE C#CC[C@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CC1 1987989909 UZHUUINTOJYFMN-LROUJFHJSA-N 444.575 4.858 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@H]1OCc1ccccc1 1998839427 JGIHONURHUFUSU-BWKNWUBXSA-N 429.605 4.843 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CCN1C(=O)OC(C)(C)C 1999878518 DSALCWCHRQMZAY-JPYJTQIMSA-N 431.533 4.728 30 10 IJEE CC(C)(C)OC(=O)N(CCCC(=O)NCc1ccc(C#N)cc1F)Cc1ccccc1 2010514692 CMQLUOOIDZXRIQ-UHFFFAOYSA-N 425.504 4.531 30 10 IJEE C#CC[C@@H](C[C@@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2020078780 OJGNJBUFZRELLZ-RBZQAINGSA-N 428.617 4.904 30 10 IJEE CCCCCC#CC[C@@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCC 2024369181 CVPIADVWXLWZFV-DEOSSOPVSA-N 429.649 4.965 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(C(C)C)[nH]c1Br 2087653345 UPJKDUYBYJTADJ-KGLIPLIRSA-N 429.403 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNc2cc(Br)cc(F)c2C#N)C1 2107450166 FTXKCRMTCNRSFI-LJQANCHMSA-N 426.330 4.909 30 10 IJEE N#C[C@]1(Nc2ccccc2Br)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 2156278378 MGXFOYCBUNLALX-VXKWHMMOSA-N 426.358 4.578 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 2159121400 UEXOTSNBBQJZBU-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC1(C)OB(c2cnc(Sc3ccc4c(c3)CCC4)c(Br)c2)OC1(C)C 2172768040 CISDBQYCDLWOHI-UHFFFAOYSA-N 432.192 4.783 30 10 IJEE C[C@H]1[C@H](C(F)(F)F)N(c2ccc(C#N)c(Br)c2)CCN1C(=O)OC(C)(C)C 2174816868 ITWFQGWMUMXGBJ-XHDPSFHLSA-N 448.283 4.697 30 10 IJEE C#CCCN(CC(C)(C)C)C(=O)c1cc(I)ccc1Br 2176161273 LBZUGHZDMHREBL-UHFFFAOYSA-N 448.142 4.565 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(Nc2cc(Br)c(C#N)cc2F)C[C@H]2CC[C@H]1C2 2188305825 YMKUKGZGYXTYJG-SIFORAMQSA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)NC[C@@](C)(CC(=O)C#Cc1ccccc1Br)C(F)F 2227475395 VKYMSQMPRIYAFF-LJQANCHMSA-N 430.289 4.556 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC(F)(F)C[C@@H]1CC#N 2233993790 CSELSBOXYGVEAO-LBPRGKRZSA-N 444.276 4.560 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1[C@H](N)C#Cc1ccccc1Br 2235747516 QNZPNGXWHVQLHQ-RTBURBONSA-N 433.390 4.698 30 10 IJEE N#Cc1cccc(Br)c1NC1CC2(C1)C[C@@H]2NC(=O)OCc1ccccc1 2248980048 WUFOVHSIWFUZGT-JGCRXCKMSA-N 426.314 4.580 30 10 IJEE CN(Cc1cccc(I)c1)c1ccc(C#N)cc1Br 2265533325 TWTWHRYAYIEEFB-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266307233 FUVSJGHCCUFGKJ-UHFFFAOYSA-N 427.314 4.730 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@H]3C[C@@H](B4OC(C)(C)C(C)(C)O4)C3)c2C1 2267557810 TUPMSYHLWUNREJ-CALCHBBNSA-N 442.365 4.748 30 10 IJEE CN[C@H](CC#CC1CCCC1)c1ccc(Br)cc1I 2274119827 GBQVMHCGRNNBOV-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1snc(C)c1NC(=O)OC(C)(C)C 2278802330 YBSJLHQZAPTOFZ-HNNXBMFYSA-N 436.375 4.873 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2279534192 AEGKYKUFKQXUBA-JUXOCIIHSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)c(Br)c2)[C@H](C(F)(F)F)C1 2281040205 ICALHAZLKJXTRQ-WFASDCNBSA-N 448.283 4.745 30 10 IJEE CC1(C)OB(c2cc(F)ccc2C(=O)Nc2ccccc2OCc2ccccc2)OC1(C)C 2281756762 AJYURIWONFKNBW-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C=CCCN1C(=O)OC(C)(C)C 2296221789 LTHOFXFMHNBWOD-WOJBJXKFSA-N 433.390 4.734 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2296223118 ZBHRZXRLUPYOJQ-MISYRCLQSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@H]21 2296231301 CCTKVHQJTAMYTN-AQOAWAETSA-N 432.358 4.843 30 10 IJEE CC1(C)CC[C@](O)(C#Cc2ccc(Br)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 2296289226 PJKLFJMCNBSSHG-HTAPYJJXSA-N 436.390 4.883 30 10 IJEE O=C1C(=CNc2cccc(F)c2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 2297378461 SPQVMGCIWYRLNO-UHFFFAOYSA-N 432.473 4.513 30 10 IJEE C=C(C)COc1ccccc1C=C1N=C(c2ccc(I)cc2)OC1=O 2297453159 QEDQIVYBAKICKW-UHFFFAOYSA-N 445.256 4.591 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2301455654 HNEYRWHCWSACJI-OSJHKOOESA-N 449.360 4.549 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 2308465251 DCLBHTZBVGLFOK-LSRZYVKLSA-N 443.544 4.728 30 10 IJEE Cc1csc(N=C2SC(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)n1 2314541655 ABAXXJYBAKPRRN-UHFFFAOYSA-N 426.479 4.854 30 10 IJEE CC(C)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317347537 ZBTBBPLOUSTVGJ-HHNLSAEISA-N 432.370 4.654 30 10 IJEE CC(C)[C@H]1C[C@](N)(C#Cc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321373641 DHRFJCXFBQSCDS-FYYLOGMGSA-N 441.369 4.565 30 10 IJEE Cc1ccccc1COc1ccccc1C=Nn1c(S)nnc1COc1ccccc1 2321968688 FLDZRWWZCPUKTG-UHFFFAOYSA-N 430.533 4.915 30 10 IJEE CCN(CC)c1ccc(C=C2Oc3c(ccc4c3CN(CCOC(C)C)CO4)C2=O)cc1 2322015342 DJFJGZVDEZOWKF-UHFFFAOYSA-N 436.552 4.726 30 10 IJEE COc1ccc(Cc2nnc(S)n2N=Cc2cccc(OCc3ccc(C)cc3)c2)cc1 2322016424 GIBLOPNASBXUQH-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3CN(CCc3nc5ccccc5[nH]3)CO4)C2=O)cc1 2322171089 OHLNXAOBDMMKLE-UHFFFAOYSA-N 437.499 4.882 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1OC 2323378603 XUUADHCLYIDDKC-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE Cc1ccc(C=C2Oc3c(CN4CCN(c5ccccc5F)CC4)c(O)cc(C)c3C2=O)o1 2324129497 OJWFTTNBULQKMU-UHFFFAOYSA-N 448.494 4.680 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OCC(=O)NC3CCCCC3)cc(C)c2C1=O 2325327387 LRGWAPHFJVJCBV-UHFFFAOYSA-N 435.520 4.838 30 10 IJEE COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccc(C)cc1 2325721148 VQZZQCMHCZJKPI-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccc(F)cc3)c2)c1 2325743749 XZXYFXQPPYYPID-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE Cc1cccc(OCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c1C 2325745496 CAFISIDMJPRGRP-UHFFFAOYSA-N 444.483 4.955 30 10 IJEE Cc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(O)c(Cl)c1O 2326728618 RLWQCOGHRFSYQF-UHFFFAOYSA-N 427.288 4.618 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2N=Cc2ccc(C(F)(F)F)cc2)o1 2326862723 HRFNHKPTSQOIHJ-UHFFFAOYSA-N 438.431 4.630 30 10 IJEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(O)cc1O 2326932822 UOFANHYJTDKSAZ-UHFFFAOYSA-N 426.586 4.833 30 10 IJEE Cc1ccccc1CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccc1 2327820349 SBYFLQDLCICIPI-OAQYLSRUSA-N 447.608 4.875 30 10 IJEE CCCOc1ccc(C=Nn2c(SCCC)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327884537 WSKFVFGTMNZGIK-SFHVURJKSA-N 443.617 4.566 30 10 IJEE OCCSc1nnc(-c2cccs2)n1N=Cc1cccc(OCc2ccccc2)c1 2330611370 NTHMQWVDPADNML-UHFFFAOYSA-N 436.562 4.552 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OC(C)=O 2330731508 UBPFKKNKMUTEPR-UHFFFAOYSA-N 449.297 4.686 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccccc1 2330805582 VENCGEXSIAHGOK-UHFFFAOYSA-N 427.599 4.850 30 10 IJEE OCCSc1nnc(C2CCC2)n1N=Cc1ccccc1OCc1ccccc1Cl 2331544554 SCJFIWDGSMKOEJ-UHFFFAOYSA-N 442.972 4.745 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)C=Cc1cccc(F)c1 2332202642 GCQJFZFTWFYFQQ-UHFFFAOYSA-N 439.450 4.509 30 10 IJEE C[C@H]1CN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](C)N1C(=O)OC(C)(C)C 2339534994 JPAGFFFFOBLHRJ-HDICACEKSA-N 443.397 4.560 30 10 IJEE CC(C)(C)OC(=O)N1CC(CCCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339587142 PZJHIEGWNWHFDL-OUKQBFOZSA-N 444.381 4.752 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339594235 QNAXDUNELLJZPU-ASLVEYIASA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C(=O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360196614 UCWSSCBNPPLWHH-IPMKNSEASA-N 432.358 4.795 30 10 IJEE CC(C)(C#N)c1ccnc(Nc2cc(I)ccc2Br)c1 2363650953 VNJOWTIUSBMJRN-UHFFFAOYSA-N 442.098 4.993 30 10 IJEE CCOC(=O)[C@@H](Oc1ccc2c(c1)O/C(=C/c1ccc(OC)cc1)C2=O)c1ccccc1 2098815 YFUMDNDXHJZYNE-XXMKCSCWSA-N 430.456 4.995 30 10 IJEE C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1[C@@H]1COc2ccccc2O1 24045390 HKJLWIGSPKLRNE-CJNGLKHVSA-N 427.530 4.510 30 10 IJEE COc1ccc(CN2COc3cc(C)c4c(c3C2)O/C(=C\c2ccccc2)C4=O)cc1OC 41646860 CFVNOUKVPSQCOE-MSXFZWOLSA-N 443.499 4.981 30 10 IJEE CCOc1ccccc1/C=C1/Oc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2C1=O 103022514 UQRNIBJFYSQSTC-OEAKJJBVSA-N 436.485 4.778 30 10 IJEE CCCCCCOc1c(OC)cc(/C=N\n2c(S)nnc2CCCC)cc1[N+](=O)[O-] 169911014 MHSQXEVMAIXPRN-STZFKDTASA-N 435.550 4.668 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccccc2O)cc1 169923616 RBMALINQCFFONZ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccc2O)cc1 169923763 WUITUILGBFQKKK-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929168 NRTVDTUAIJYHPG-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2C)c1 169937012 XCATTZMGWUUESJ-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(O)cc2)cc1 169959383 KUEVSNPNBNFLIA-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)cc1 170006740 HTYCDOMKCVUZTR-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(CC(=O)O)cc3)[C@H]2c2ccccc2)ccc1F 170053049 PEHIYBFDSKXKJR-QHCPKHFHSA-N 445.446 4.544 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1cccc(O)c1)c1ccc(F)cc1 170079884 MGNVBQQDDANNPJ-FQEVSTJZSA-N 425.362 4.592 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(C)c2)c1 170140080 QWGJGHJYRKIFME-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)c1 170171932 FXSNVGREHQIDJC-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1cccnc1)c1c[nH]c2ccccc12 170191369 NVHZVEUSMDTQJZ-NRFANRHFSA-N 431.398 4.624 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1C1CCCCC1 170317593 XXBCTEQDUTTWBU-LJQANCHMSA-N 425.506 4.696 30 10 IJEE N#Cc1ccc(NC(=O)Nc2ccc(I)cc2Br)cc1 312355130 GCVLCQHPAZLOTF-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)c2ccc3c(c2)CCCC3)S/C1=N\N=Cc1ccccc1 390825681 IHRJXNUVDZFSBF-FKTFJBGZSA-N 431.561 4.658 30 10 IJEE C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 431243145 RRNJDPMMQNUYBD-QFIPXVFZSA-N 441.560 4.635 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)cc1 437853784 XSYMDSQVDVSJQH-WZONZLPQSA-N 437.515 4.634 30 10 IJEE C=CCN(C(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1)c1nc(-c2ccccc2)cs1 484731373 QPQXJIXWVNQYOT-UHFFFAOYSA-N 430.537 4.544 30 10 IJEE CCCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])o2)c1 526604502 NJBMQZYIKADHCW-QFIPXVFZSA-N 445.431 4.905 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2OC)ccc1O 526706850 AWPVKSGCZAXRIJ-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(F)cc2)cc1[N+](=O)[O-] 526803089 RALAPTSXEORSQE-QRVIBDJDSA-N 443.504 4.851 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1/N=C\c1ccccc1F 526831785 WVHLDCIFHOPGSX-FMCGGJTJSA-N 430.505 4.702 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 549645755 ZMFXIUYJINEQMP-HXUWFJFHSA-N 438.616 4.841 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 585155344 ADSLCKSOOIZVLB-UHFFFAOYSA-N 431.927 4.713 30 10 IJEE CCOc1ccc(N(CCCC#N)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1OCC 586257276 YVXZSHDHJLITDB-UHFFFAOYSA-N 446.569 4.770 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 586279653 VYSHVRORKPVFMA-UHFFFAOYSA-N 440.908 4.564 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2cc(O)ccc2C)c1 726573642 OBRBXRNUOCRFLY-UHFFFAOYSA-O 446.508 4.509 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2c(C(=O)O)sc3ccsc23)cc1OC 767169992 MPVVRKCENQLVNU-FNORWQNLSA-N 429.519 4.564 30 10 IJEE N#Cc1cc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)ccc1N1CCC(O)CC1 798975118 DPLQMDMEGFYJPK-UHFFFAOYSA-N 439.559 4.559 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1=S 808203851 XIBGQVXITLIXBU-HKUYNNGSSA-N 443.617 4.521 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2C)n[nH]1)c1ccc(C)cc1 1084023256 ORZBWJOVFSYLHN-UHFFFAOYSA-N 428.949 4.642 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1 1126234789 XSYQSXYJAMKEPG-UHFFFAOYSA-N 426.520 4.591 30 10 IJEE C#CCCOc1ccc(C(=O)N2C[C@H](CC)N(C(=O)OCc3ccccc3)C[C@@H]2CC)cc1 1126270104 YWDMTTJZWSWRRX-ZEQRLZLVSA-N 448.563 4.741 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CCCN1C(=O)OC(C)(C)C 1127559593 IUASLDBVVPBQOH-AREMUKBSSA-N 444.535 4.757 30 10 IJEE N#Cc1ccc(CSCC(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cc1 1131987970 DLPIGBQRTDABTM-UHFFFAOYSA-N 434.468 4.967 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 1143422306 BXIXFFMMQXZXRP-FQEVSTJZSA-N 439.581 4.556 30 10 IJEE C#CCC1(O)CCN(C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)CC1 1153262025 GMJOBYMRCWIJMI-UHFFFAOYSA-N 448.346 4.571 30 10 IJEE C=C(C)Cn1c(S[C@H](C)C(=O)Nc2c(C)cccc2Cl)nnc1-c1ccncc1 1188915387 KSTGACCKDSVHAP-OAHLLOKOSA-N 427.961 4.997 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N[C@@H](C#N)c1ccccc1 1195552420 WKUXNVLMMOKACY-KRWDZBQOSA-N 430.302 4.791 30 10 IJEE C=C(Cl)CNCc1ccc(OCCOc2cccc(Br)c2)c(OC)c1 1200702743 GHVORXNHGITZFO-UHFFFAOYSA-N 426.738 4.758 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 1218529130 HXHHAXYNUFVXJV-UHFFFAOYSA-N 438.329 4.949 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccccc1 1219097209 BPZPERVQKMRTAG-NRFANRHFSA-N 429.586 4.983 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1234235372 FQNVPPZIYUKHHL-IVOMFYJKSA-N 443.588 4.569 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)ccc1F 1264265740 IVSYADMGGFVXRL-HSZRJFAPSA-N 446.588 4.616 30 10 IJEE C#CCOc1cccc(NC(=O)c2cc(I)c(Cl)cc2Cl)c1 1265133381 KPZYVXCZUCDSMV-UHFFFAOYSA-N 446.071 4.862 30 10 IJEE CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2csc(C#N)c2)cc1 1270242143 FONVYLSIJBPXRY-HXUWFJFHSA-N 425.554 4.616 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCn1nc(C)cc1C 1286306385 SYBXHLDNMXQGSH-QGZVFWFLSA-N 443.020 4.585 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1286336168 ZMCPXOGCAXNHID-FQEVSTJZSA-N 442.991 4.567 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286407477 WSOIVVUSXNZQRD-MSOLQXFVSA-N 439.485 4.803 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CCCC1(C)C 1286548576 XDSNFQZSPDCHSY-UHFFFAOYSA-N 435.366 4.543 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286569262 KAXFPSUPFAWNAR-SFTDATJTSA-N 439.648 4.798 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC(F)(F)C1 1286570155 OBFAMKKEYBTIOP-CYBMUJFWSA-N 428.325 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN1CCCCCC1 1286570337 VMBMXZDSEVREQL-UHFFFAOYSA-N 446.437 4.986 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C(C)C)N2CCCC2)CC1 1286665147 UHLBNVOYPBDAFX-RUZDIDTESA-N 435.660 4.976 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C2CCOCC2)C1 1286684916 LYFOWNMWWRHZIX-KRWDZBQOSA-N 448.409 4.645 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C)c(C)s1)C1CC1 1286739521 GJMHYEFCXHCAHF-UHFFFAOYSA-N 429.977 4.787 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1cc(C(C)(C)C)no1 1286746191 RAOUEEYFSISGQV-HXUWFJFHSA-N 435.572 4.699 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1ccncc1Cl 1286746428 XPIOCGJSNJFRJZ-UHFFFAOYSA-N 430.943 4.553 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)N1CCCC1 1286747041 ILUUMXPUJBHSKF-GGAORHGYSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(COC)c1 1286749079 JOJQZBIUFIZGPE-OAQYLSRUSA-N 438.597 4.621 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1COC 1286749791 ZBJMILAPJCMGLJ-NRFANRHFSA-N 438.597 4.621 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1286772195 SIBSQKGKAHRFCC-MRXNPFEDSA-N 445.386 4.841 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(F)(F)F)cc1 1287605298 HWTIFOYZDBTDAS-SFHVURJKSA-N 435.494 4.615 30 10 IJEE C=CCC(CC=C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1290039907 WLLLKNVJPADEPX-UHFFFAOYSA-N 449.370 4.957 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3cc(Cl)ccc3OC(F)F)n[nH]2)c1C 1295940515 YEPLLSKDZKYUKR-NSHDSACASA-N 449.889 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1c(C)noc1C 1300272884 CIFOSEUZRQFCFW-RVKKMQEKSA-N 441.963 4.938 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1sc(C)nc1C 1300601314 GAYJFOWFXNAEPW-HNNXBMFYSA-N 429.977 4.653 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1300886041 VEXQWXNRUWGNCR-RBBKRZOGSA-N 439.560 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1300919026 QTCXCQCCSBGMTD-INIZCTEOSA-N 427.643 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(C)C)C1 1301150289 QQTKYDIPFTVOBC-LJQANCHMSA-N 448.615 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC1(SC)CCOCC1 1301360246 YWDKYTVRQPIQJI-UHFFFAOYSA-N 441.626 4.506 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H](SC)C(C)(C)C 1301411334 XVJGJOGBKLMVQJ-AZUAARDMSA-N 432.634 4.778 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H]1CCCCO1 1301414477 DSWGIGBDPZWHNA-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(F)cn2)C1 1301542462 OCRAKFQDKXTXHZ-QGZVFWFLSA-N 448.329 4.616 30 10 IJEE C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1cccc(C)c1C 1307250129 WWTKLDYCQQTZHJ-LJQANCHMSA-N 435.593 4.908 30 10 IJEE C=CCn1c(SCc2cn(-c3ccc(Cl)cc3)nn2)nnc1-c1ccc(OC)cc1 1307252354 LGWAGTMDMHYAMJ-UHFFFAOYSA-N 438.944 4.666 30 10 IJEE C=C(CNC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C)c1ccccc1 1310496945 GNQUIEHTTHJKSH-UHFFFAOYSA-N 425.330 4.993 30 10 IJEE CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)sc2C1 1310635736 HVEXQAKRKGYKNR-HNNXBMFYSA-N 441.576 4.659 30 10 IJEE C=CCN1CCC(NC(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)CC1 1311894374 ZXWFBBSHLQPQCX-UHFFFAOYSA-N 442.604 4.573 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccsc2)cc1 1314192110 ARDCGHLNYXZNOX-SJORKVTESA-N 425.558 4.522 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1316537304 AUNJRYXAFOTXHU-ROUUACIJSA-N 432.494 4.839 30 10 IJEE Cc1ccc(CN(C(=O)c2cc(C#N)cc(N(C)C)c2)c2ccc3c(c2)OCCO3)s1 1355909540 GKZDHGLKPREMPO-UHFFFAOYSA-N 433.533 4.612 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1358893173 PGOXSPZEXMGKBW-YFVAEKQCSA-N 426.580 4.696 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1358904042 RZDLADDAEASZLP-NRFANRHFSA-N 433.600 4.967 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1358915206 VZRRGZAUYZHQPT-FQEVSTJZSA-N 442.567 4.526 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)OC 1359077566 FYPNHZRCZAOUMX-CYBMUJFWSA-N 429.746 4.595 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N(C)CCCC 1359080225 KHRPWCBKBCQXCW-UHFFFAOYSA-N 428.172 4.853 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(OCC2CC2)CC1 1359154817 CUFXCUXBSQCXCC-UHFFFAOYSA-N 430.980 4.622 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC=C(COC)CC1 1359186314 AUSXUZVGLXOYFP-UHFFFAOYSA-N 432.572 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1359190203 IGDGAXIRKSFCGZ-UTKZUKDTSA-N 434.415 4.886 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](C(=O)OC)C1 1359210189 MHYWGJJEOZVFGD-GOSISDBHSA-N 428.602 4.631 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1359220024 LUDAHTDGXRYRCG-UTKZUKDTSA-N 442.560 4.990 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1359284112 QWIVRECRXRMDFN-SJORKVTESA-N 437.357 4.673 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359346669 RGUFLEGPBIOGPE-RTBURBONSA-N 432.659 4.802 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c1 1359863747 UUQYHKSXWCSHEN-UHFFFAOYSA-N 439.490 4.519 30 10 IJEE CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(Br)c(C#N)n1 1437005340 CJPJBWKKWVILIP-NSHDSACASA-N 437.135 4.686 30 10 IJEE C#CCC1(NC(=O)c2cc(I)cc(C(F)(F)F)c2)CCCCC1 1439617562 LIPPJWHIMYACEW-UHFFFAOYSA-N 435.227 4.766 30 10 IJEE COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2cccc(F)c2C#N)cc1 1459102051 GZQLMNMDLYXLOZ-UHFFFAOYSA-N 435.480 4.689 30 10 IJEE Cc1sc(NC(=O)CN2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c(C#N)c1C 1459307116 AXTKXKNDCIJZOP-UHFFFAOYSA-N 437.609 4.969 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cccc(Cl)c3)C[C@H]2C)cc1OC 1468457612 SNNDCWDOSBXVOK-LECLMCCNSA-N 426.944 4.664 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(Br)cc1 1470662445 FHGLMSNPPVCTGF-HNAYVOBHSA-N 446.776 4.603 30 10 IJEE Cc1sc2nc(CS[C@H](C)C(=O)N(O)CCCCc3ccccc3)nc(O)c2c1C 1472620301 XAFZDRIMGSXXRZ-MRXNPFEDSA-N 445.610 4.876 30 10 IJEE C=CCn1c(SCc2ncc(Br)cc2F)nnc1-c1ccc(OC)cc1 1472921892 XHLTYEVSMRISTL-UHFFFAOYSA-N 435.322 4.729 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](CC(F)(F)F)C2)n(Cc2ccccc2)c1C 1473563657 FRRQVAGTTFQZSO-IBGZPJMESA-N 432.490 4.628 30 10 IJEE C=CCCC1(CNCc2cc(I)c(OC)c(OC)c2)CCCC1 1474207865 IUICHTZKFJQKPP-UHFFFAOYSA-N 429.342 4.925 30 10 IJEE CCOC(=O)c1c(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c(C#N)cn1CC 1476760304 DBNVPAXPVGTVDB-HBMCJLEFSA-N 434.540 4.746 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1ccc2c(c1)CCC2 1477549863 SUIYFLRFCXDALI-UHFFFAOYSA-N 447.348 4.854 30 10 IJEE C=CCOCCCNC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 1478165180 CYFOLLRRHIAZJB-CQSZACIVSA-N 438.391 4.834 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)c1nccs1)OC 1496526306 CRMXYERODSAAFL-KRWDZBQOSA-N 438.601 4.718 30 10 IJEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 1507861161 CDIJJTAFXZTHTD-UHFFFAOYSA-N 449.889 4.805 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H]1C(=C)C 1508023176 BBNJCGDLQKYDGP-ILBGXUMGSA-N 443.595 4.865 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1508025791 CCUGCBHVTYZBDA-VTYHHJSWSA-N 445.567 4.848 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H](C(C)C)C2)cc1 1508106883 YNTYGSJIDUQTCH-QHCPKHFHSA-N 448.615 4.625 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)S[C@@H](C)C1 1508150542 DPYLUIQHRCFWQH-KBPBESRZSA-N 427.014 4.987 30 10 IJEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC=C(C)C)CC12CCCCC2 1508241391 JEFYSFJZQSYAKI-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(F)cc(Br)c2F)cc1 1518642092 MNTQATGRGDPEDU-UHFFFAOYSA-N 435.268 4.794 30 10 IJEE C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1OCc1ccccc1 1521240526 AVZHYQCWCQOSDZ-UGKGYDQZSA-N 443.522 4.980 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccccc3)c(C)s2)CCCN1C(=O)OC(C)(C)C 1523765215 RDTWEWCQSZXZSY-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE N#Cc1cccc(C2(NC(=O)c3ccc(Br)c(OC(F)(F)F)c3)CC2)c1 1525631868 ADHDZWSLROLLMQ-UHFFFAOYSA-N 425.204 4.638 30 10 IJEE Cc1ccc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(O[C@H](C)CC(C)C)c1 1525876159 FOUPAJVXPBRJIC-DENIHFKCSA-N 437.559 4.962 30 10 IJEE C#C[C@H](NC(=O)c1nc(Br)sc1C1CC1)c1ccc(Br)cc1 1528088466 ODKPPMIXVXNMRW-LBPRGKRZSA-N 440.160 4.650 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)cc1OC 1530893790 OQJOGGJXXWYPDX-ZMOVQZPESA-N 435.442 4.796 30 10 IJEE C=C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccccc1 1532388150 TXAYDZJWPPFXRX-DEOSSOPVSA-N 433.529 4.518 30 10 IJEE C=CC[C@@]1(C(=O)N2Cc3ccc(C)c(Br)c3C2)CCCN1C(=O)OC(C)(C)C 1533431181 AHZSFEHXOVLDIK-QFIPXVFZSA-N 449.389 4.946 30 10 IJEE COc1ccc(-c2cc(NC(=O)c3ccc(C#N)cc3OC)n(-c3cccc(C)c3)n2)cc1 1533909916 GGGLPNHIZYEADS-UHFFFAOYSA-N 438.487 4.989 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 1534662367 HBBIPNCHCFLUET-OAQYLSRUSA-N 437.341 4.843 30 10 IJEE COc1ncc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1C#N 1535490698 HLSUUNYSXJGLOY-UHFFFAOYSA-N 426.480 4.515 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCCN1C(=O)OC(C)(C)C 1535497283 SWTCLLOZXMUNMD-HSZRJFAPSA-N 425.554 4.905 30 10 IJEE Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc(Cl)c1Br 1538230239 AJJLXVHBZFWBJH-UHFFFAOYSA-N 433.668 4.860 30 10 IJEE COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1538641646 FSWVNYZLPXCSPP-DQEYMECFSA-N 440.499 4.656 30 10 IJEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1539053457 SJNVCQHHBVRJOC-PXNSSMCTSA-N 445.405 4.936 30 10 IJEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccc(Cl)s1 1539125571 OIONQWDWVYKADQ-GOSISDBHSA-N 428.945 4.555 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCSc1nccs1 1539148742 RKLQSJDYDSSZNO-SFHVURJKSA-N 441.626 4.743 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC1CCC(F)(F)CC1 1539320302 SPUIQEVHGFDLIM-UHFFFAOYSA-N 433.506 4.782 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](OC)[C@@H](C)CC 1539345853 ZCIUTTRBUWDIPC-CYFREDJKSA-N 433.600 4.873 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cccs1 1539622383 FNLJKYMWJHFNCH-PXNSSMCTSA-N 444.004 4.715 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)N1CCC(C)CC1 1539651167 AROQDICNMZQNQK-OAQYLSRUSA-N 447.631 4.858 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1539693346 HAAJEEOSXSQKOV-YADHBBJMSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC[C@H](O)C2)CC1 1539874629 OANQUUBDCSPDHW-IHPCNDPISA-N 428.552 4.511 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)c2ncc(C)s2)CC1 1539896669 QFBWBVCDIXRHNF-MRXNPFEDSA-N 441.576 4.967 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539926466 NGDSRUIYLCXISF-QFIPXVFZSA-N 439.652 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCN(CC(C)C)C1 1540062262 JDABIFAKNNFNDQ-SFHVURJKSA-N 446.437 4.698 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CC(F)(F)CO1 1540147345 PGBKPLZRWQCZTI-QGZVFWFLSA-N 448.514 4.686 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1540158365 FIPWOBNLHCXUBB-HSZRJFAPSA-N 426.948 4.894 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C 1541410642 HROQYVWDVZQPNR-NFBKMPQASA-N 439.604 4.662 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@]1(C)OCCc2sccc21 1541512333 HFQDQYXEXWMHRC-HSZRJFAPSA-N 429.634 4.891 30 10 IJEE C=C(C)CNC(=O)c1csc(-c2cccc(S(=O)(=O)NC3CCCCCCC3)c2)n1 1556277429 QDJMOYPHGHAXDT-UHFFFAOYSA-N 447.626 4.507 30 10 IJEE CC[C@@H]1CN(c2ccc(C#N)c(Br)c2F)CC[C@@H]1NC(=O)OC(C)(C)C 1559158592 BZRHWFOVZPGMCJ-OCCSQVGLSA-N 426.330 4.589 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)cc1 1562235441 DFTNCJMCGZOOOF-UHFFFAOYSA-N 429.923 4.835 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1C[C@@H](OCC)C12CCCCC2 1566156516 XPMWJRZMOVERCB-OKZBNKHCSA-N 429.001 4.609 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(Br)c(C)cc2Br)cc1 1584649603 ICGDTVAUNCDBPA-UHFFFAOYSA-N 438.115 4.889 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1)c1ccc(Br)cc1 1584709300 ZNFMAPFIUKZALN-VXKWHMMOSA-N 425.370 4.603 30 10 IJEE CCN(CC)Cc1ccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 1587500631 BVBLBQMWJPUYQN-UHFFFAOYSA-N 427.548 4.909 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1C(F)(F)C12CCC2 1587575105 QBKXDVDSORKDGR-CJNGLKHVSA-N 435.316 4.601 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCO[C@@H]1C(C)C 1588446114 YPDSQGJXZLTSSL-SQJMNOBHSA-N 438.616 4.810 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC2(C)C)CC1 1594236888 KDSVRYAUTFMDEC-HXUWFJFHSA-N 443.636 4.841 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(OC)CCC(C)CC1 1595009459 GVPJJWZWGQKYJF-SZTYLXMGSA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CCC1CCN(CC(F)(F)F)CC1 1595127317 MFKMMSAWXAFZFF-UHFFFAOYSA-N 439.501 4.583 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1595228806 JTIRTRYXWGZSSK-UHFFFAOYSA-N 441.620 4.756 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1cccc(C)c1 1595251584 VEENMIQLGZLVCH-HXUWFJFHSA-N 430.556 4.619 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC[C@@H](C)C2)C1 1595679752 AYXZHTWTSVMRCU-FUHIMQAGSA-N 445.405 4.925 30 10 IJEE C#C[C@H](NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1F 1597003206 PKQBHJGZJNYBQE-NRFANRHFSA-N 442.918 4.877 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1611679827 GWOPZPDQVKAXDK-GOSISDBHSA-N 448.972 4.720 30 10 IJEE N#Cc1ccc(N2CC[C@@H](N3CCC(Cc4cc(Cl)ccc4Cl)CC3)C2=O)cc1 1615756048 DNHMZCKWVKPSSC-JOCHJYFZSA-N 428.363 4.925 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1 1616817903 LNXLUZCKGSTWRA-CQGGRAHPSA-N 425.579 4.752 30 10 IJEE C=C[C@H](OC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccccc1 1617549942 SUVFCUWSQJJLIC-FQEVSTJZSA-N 432.505 4.544 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)CCCC(=O)Nc3ccccc3C#N)c2)s1 1618147090 APSVEGXXFIEKQH-UHFFFAOYSA-N 428.517 4.584 30 10 IJEE CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(=O)NCc1cccs1 1624023557 CCBZUIVQTTXCMJ-HXUWFJFHSA-N 434.521 4.629 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(N2CCC(C)CC2)nc1 1624883861 AVHIRZXRMLLKFV-UHFFFAOYSA-N 433.474 4.832 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(Cc2ccccc2C)CC1 1625538522 JYFLPQGLQKRGTA-UHFFFAOYSA-N 444.373 4.672 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCOc2c(OC)cccc21 1625539094 QKZRTGDSOYGRFZ-OAHLLOKOSA-N 433.302 4.668 30 10 IJEE C#CCC1(NC(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)CCC1 1627783492 UPRAYNIXSMGBOZ-UHFFFAOYSA-N 426.314 4.769 30 10 IJEE C=CC[C@]1(C(=O)NCCCc2c[nH]c3ccc(F)cc23)CCCN1C(=O)OC(C)(C)C 1636458611 DVFLSMTYULWRMO-XMMPIXPASA-N 429.536 4.702 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 1636562226 IYYZUQHHPCDZBG-OTWHNJEPSA-N 433.733 4.606 30 10 IJEE C=C1CCC(CNC(=O)c2c[nH]cc2-c2cc(Br)c3c(c2)OCCO3)CC1 1637665566 NLGAFSMMCFVODE-UHFFFAOYSA-N 431.330 4.692 30 10 IJEE C=C[C@H](C)ONC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 1640635496 SJQOUOZYWDYNSE-JTQLQIEISA-N 449.743 4.684 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 1646252176 LTNLMTYVFWUVER-CALCHBBNSA-N 434.920 4.603 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc3oc(O)nc3c2)cc1OCC 1663210715 QMEDBTVSKMCQIE-UHFFFAOYSA-N 433.302 4.549 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(Br)c(C)cc1Br 1666016219 AHZGDDQCYCWOLT-UHFFFAOYSA-N 445.176 4.901 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2c(F)cc(C)cc2I)cc1 1668266713 ZSODKRZHXRFXOP-UHFFFAOYSA-N 440.256 4.625 30 10 IJEE N#Cc1sc(NC(=O)N2CCc3c(Br)ccc(Cl)c3C2)nc1Cl 1672680113 GGOOFRPSCWZCDQ-UHFFFAOYSA-N 432.130 4.674 30 10 IJEE C#C[C@@H](NC(=O)NC1(c2ccc(C)cc2Br)CCCCC1)C1CCOCC1 1674596233 BBHBJSJMFMKYMH-HXUWFJFHSA-N 433.390 4.645 30 10 IJEE CC[C@@H](C)c1ccc([C@@H](NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c2cccs2)cc1 1676778390 AXPJUHRQEONLIB-DYESRHJHSA-N 439.581 4.839 30 10 IJEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCCc2ccccc21 1677300349 DOJCTHOIESJWSX-OHUGHZGNSA-N 449.570 4.662 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(F)c(F)c1 1681778700 DMSOJPQNWLJJIZ-NRFANRHFSA-N 437.893 4.902 30 10 IJEE C=C1CCC(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 1683957720 UWKMITIHJKJCIK-INIZCTEOSA-N 435.284 4.547 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccc(F)cc1 1686917900 YVRKQYUDWFCVBA-OALUTQOASA-N 448.279 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccccc1COCCC 1690202871 IMFUDDIQCNSYNC-AREMUKBSSA-N 429.568 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1690241172 PILBRZWRCSFFBN-SMIHKQSGSA-N 438.616 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@@](C)(CC)O1 1690259657 RKKUYKMVXIOXAL-YADARESESA-N 428.577 4.712 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CCCNc1ccc(C(F)(F)F)cn1 1690261355 IWZWHFFCSCFHKO-UHFFFAOYSA-N 447.509 4.602 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690279377 DYPMIZVEBZNMNT-UHFFFAOYSA-N 449.624 4.843 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCc1cccs1 1690287608 JWHVMQGRBANNBG-SFHVURJKSA-N 445.633 4.709 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC(C)(COC)CC1 1690338659 FJOQREJFDVHDTK-UHFFFAOYSA-N 439.785 4.713 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCC2CCOCC2)CC1 1690364890 ZMSVNCFMWVHYDD-HXUWFJFHSA-N 440.588 4.790 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1690426537 RGLBSDUBTGNWHN-NRFANRHFSA-N 441.526 4.742 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1690489171 ZRIHOVLPYNECME-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690491949 KSVOEUNSVJDQRM-QFIPXVFZSA-N 434.588 4.787 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2ccccc2C1)C(C)C 1690580759 FMJJJIPOAUNQEZ-XMMPIXPASA-N 430.600 4.535 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CCCS1 1690605324 GASHWPVHLXHWAJ-XMMPIXPASA-N 433.581 4.931 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@@H](C(C)C)C1 1690740396 TTWGHYLIZKDOOS-OAQYLSRUSA-N 441.670 4.934 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1cccs1 1690993280 HUSAXTNLRLIXID-JKSUJKDBSA-N 429.977 4.972 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1693951503 HVDCXAPAJLOJEP-CKJXQJPGSA-N 436.025 4.759 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1cccs1)N(C)C 1705479132 IWALYWCTHFXKIW-PZJWPPBQSA-N 433.625 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCCOC 1705482508 AURWWELANNUZAV-CQSZACIVSA-N 439.785 4.636 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1705513177 DAUFQBXOMHCNDR-OXQOHEQNSA-N 443.389 4.515 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc2cnccc2c1 1705539905 HJCNIOBZZVMFBE-DHIUTWEWSA-N 431.584 4.795 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](CCC)OC 1705577730 RBFWCKWVZQCXEM-HXUWFJFHSA-N 436.556 4.701 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1705654883 WKDDBOQXSWWXGX-NRFANRHFSA-N 436.581 4.953 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(C)CCCS1 1705670961 PRTSVOSLGQCZRQ-FGZHOGPDSA-N 431.005 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1cc(C(F)(F)F)ccn1 1705675855 DBFKJEVTCFFOBH-OAQYLSRUSA-N 445.514 4.579 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1705701746 CTYWUEPSPVNTAA-YWZLYKJASA-N 449.382 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCS[C@H](C(C)C)C1 1705704064 YMFADBAFWIHYKN-GPXNEJASSA-N 440.657 4.736 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccc(F)cc1 1705721618 MZGPSNPFSWSULJ-UHFFFAOYSA-N 432.341 4.788 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1705829932 GLCUPTYCPGRFKX-QHCPKHFHSA-N 440.588 4.505 30 10 IJEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccoc2C)sc1C 1706990890 CSYNNAUVGQIPKN-UHFFFAOYSA-N 432.553 4.671 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C 1710402664 HEMGBODBCQOTQP-BBTUJRGHSA-N 427.618 4.598 30 10 IJEE CCO[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1)C(C)C 1710409271 GLIJNSGEIQTFPM-OAQYLSRUSA-N 429.996 4.713 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722327472 LPNBYOMKCLDHSV-REWPJTCUSA-N 448.533 4.763 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)c1ncc(C)s1 1722376001 SWXIFCJFICIUJI-CQSZACIVSA-N 444.391 4.893 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1Cc1cscc1C(F)(F)F 1722393799 KMGMSTFWTYZXIK-UHFFFAOYSA-N 444.482 4.545 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)[C@H](C)C1 1722451681 GITYKUYKVWKMCB-RTBURBONSA-N 433.625 4.811 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1722475718 GPSJQWSPIZLBDO-VVZHRXSXSA-N 436.600 4.671 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1722521662 XQLNKCZUCCRWOB-FPOVZHCZSA-N 439.604 4.959 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722543186 MPZHKZLUNLYWBB-KSFYIVLOSA-N 436.959 4.951 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN(CC)C2CC2)CC1 1722574169 GSBCIHZMTJJBIH-NRFANRHFSA-N 437.632 4.922 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N1CCC(C)CC1 1722633491 ICLGWERUXXMWJJ-UNMCSNQZSA-N 425.621 4.778 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722684279 GEWVYDULWWYZCH-LJQANCHMSA-N 428.577 4.711 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)C1 1723548322 AZINOGMHYKHAMF-FYYLOGMGSA-N 434.632 4.810 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCc1nccs1 1724091614 HNAUPJNHJBWUGW-HNNXBMFYSA-N 449.609 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1740535372 QBHMGPLKDGLYQW-UTLNKFNPSA-N 442.991 4.735 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)(C)N1CCC[C@H](C)C1 1740604295 BLQOYXBAEDHEIV-INIZCTEOSA-N 434.415 4.832 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCCOC1CCCCC1 1740677133 GPZFZKZSUZDUJE-UHFFFAOYSA-N 449.574 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1740761939 PZAGCAMOSYZLPT-IRLDBZIGSA-N 439.560 4.504 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1740778808 SJWXPEANATVEDS-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCCCSC)CC1 1740826009 WKWFDDYUFWBISN-OAQYLSRUSA-N 428.602 4.870 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[C@H](OC)C(F)(F)F)CC1 1740827580 BQSBFHMHYCZEBC-IBGZPJMESA-N 438.494 4.598 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1740834404 VKOSDOSLSPKRMJ-JTSKRJEESA-N 439.604 4.611 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCC[C@H]2C)CC1 1740842992 UAUYFLVENYQGIC-YMPZKCBVSA-N 443.680 4.864 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1CCc2ccccc21 1740892449 HIGTZSPEUPAHDD-KRWDZBQOSA-N 440.389 4.788 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SC)c1 1740892749 ZDKUNIWRKSYEDC-OAHLLOKOSA-N 429.977 4.859 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(OC)CCCCC1 1748650700 CMYDUURRHKIFNQ-AWEZNQCLSA-N 437.407 4.576 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cs2)CC1 1748701971 VEDBFUJTNFMVHE-QFIPXVFZSA-N 448.640 4.715 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](c1ccccc1)N(C)C 1748775383 KOSQVOJMELUGJX-NQIIRXRSSA-N 433.625 4.504 30 10 IJEE COc1ccc(Cn2c(N3CCC(CC#N)CC3)nnc2C(C)(C)C)c(C(F)(F)F)c1 1748830644 BEAHVCITQQTMRL-UHFFFAOYSA-N 435.494 4.781 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nc(C)cs1 1748876899 YCRMFUVRXINJEO-UHFFFAOYSA-N 430.364 4.528 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCCOC(C)C 1749055539 KLDGGYQUUFVXHR-OAQYLSRUSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc3ccccc3c2Cl)n1CCC(C)(C)O 1749056420 YRRSXCAKBBKXBR-JOCHJYFZSA-N 428.989 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1cccc(OCC(F)(F)F)c1 1749064569 BQDRLYMJPZTNCX-JOCHJYFZSA-N 432.490 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1CC 1749119504 SSNPSUJDMIXAMY-JYLXEMOASA-N 428.552 4.917 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1nccs1 1749123987 KIASMDGAGZLAOI-HNAYVOBHSA-N 429.977 4.673 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(OC)CCCC2)CC1 1749291590 HLERYFJSOSKWQZ-FQEVSTJZSA-N 440.588 4.932 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)N2CCCCC2)CC1 1749312520 LVNNOWVDGFFMDU-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)CN2CCCC2)CC1 1749348027 JNJMAVGNYPIPRO-FQEVSTJZSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1749354326 NPTSHBXUIDNYAD-JOCHJYFZSA-N 445.615 4.539 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)C)CC1 1749355406 HVHZWPOQESFRLI-UHFFFAOYSA-N 449.441 4.559 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](CC)C1 1749403178 YDENPUFPIMTTRY-UXHICEINSA-N 431.625 4.985 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1749548779 JIRBSEWRQMOCAS-RXVVDRJESA-N 427.643 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1749566203 YCOYCWJARPOIJR-LJQANCHMSA-N 425.577 4.687 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(CC)(CC)SC)C1 1749700588 LGDQYXVRTVGHHQ-QGZVFWFLSA-N 436.025 4.697 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(OC)cc1 1749763571 BYFHLPQRQBFLBE-NHCUHLMSSA-N 444.645 4.761 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCSCC(C)C 1760167526 STTLWKWNRGEZQX-UHFFFAOYSA-N 427.437 4.618 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccnc(Oc2ccccc2F)c1 1760229326 MNYCDIIPQMRTNS-UHFFFAOYSA-N 431.471 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN(C(C)C)C(C)C 1760289660 QIHJNUVFBNXFEV-NBGIEHNGSA-N 441.595 4.668 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)CN1CCCCC1 1760291224 GZXVLPQCAGCITF-HOYKHHGWSA-N 443.998 4.852 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC1CCCC1 1760320494 XWPKMBDENNLBTG-CVDCTZTESA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(Cc1cccc(F)c1)C(C)C 1760334680 KWQKBMHPJGQCSV-XJUOHMSHSA-N 442.579 4.707 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCN2CC)CC1 1760399182 CHKOWXQRWBDSEO-GOSISDBHSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1Cc1c(C)noc1C 1760478614 NEFIFEYSRWJVQC-UHFFFAOYSA-N 449.580 4.785 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)s1 1761772112 GMUYSKBXDDYUQG-IFMALSPDSA-N 435.597 4.884 30 10 IJEE COc1ccc(C(C)(C)Cn2c(CC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)cc1OC 1768422098 FECIBUPFFCJYQZ-VWLOTQADSA-N 439.604 4.602 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1C(=O)O 1857890229 MYJDCBJHHBEOON-UHFFFAOYSA-N 434.920 4.578 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)nc1C 1859757458 ULOGBHGWSTZVJZ-UHFFFAOYSA-N 429.448 4.695 30 10 IJEE N#Cc1c(O)nc(S[C@@H](CCc2ccccc2)C(=O)O)nc1-c1cccc(Cl)c1 1860466552 YYTDIOCSTPWJOS-KRWDZBQOSA-N 425.897 4.552 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)c1 1862431393 GJBPVLMRQACVCQ-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCCOC(C)C)c1 1862456678 XLOZDLYKODDIHT-NRFANRHFSA-N 447.453 4.806 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)c1 1862490896 GPMRDSYSOSFIDI-IIBYNOLFSA-N 425.912 4.714 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862538125 DLCRVEOVPSTMTD-LJQANCHMSA-N 434.319 4.781 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2F)c1 1862625968 RBRXFRABENFIPE-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1F 1862650158 OZAYMSIIGGNEHO-HSZRJFAPSA-N 433.479 4.984 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(F)(F)F)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863345818 QWLDOVBGSIVWNT-UHFFFAOYSA-N 430.426 4.872 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 1865772586 CRSJYGDEUGSNRR-HNNXBMFYSA-N 429.538 4.632 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)c1ccccc1 1868639456 NKJWEVMCHBAGRO-VWLOTQADSA-N 443.547 4.559 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccccc3)C2)nc(Cc2ccccc2)n1 1869081980 XEIOZHNMMBKIRS-XMMPIXPASA-N 426.564 4.824 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2cccc(Br)c2)cc1 1870143330 ICBUZCOKRBBZHQ-DHZHZOJOSA-N 436.313 4.677 30 10 IJEE CCCCCCCOc1cn(CCN(CC)CC)c(CSc2ncccn2)cc1=O 1870251319 CRDGWVDUNSHSRE-UHFFFAOYSA-N 432.634 4.622 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cccc2C)cn1CCCCCCO 1870490704 BRHGCXLDYZFJDO-UHFFFAOYSA-N 438.612 4.771 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)cc1 1871431127 VTAIZFAZICDYGV-QRVIBDJDSA-N 440.455 4.929 30 10 IJEE COc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)c1 1871442031 WPGGOXOENMWMPF-JJFYIABZSA-N 435.863 4.982 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)C1CC1 1871798090 MCUXQGGCTIBBGF-SCLBCKFNSA-N 433.401 4.717 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1C 1871804688 SULPVCDJSOJFTD-INIZCTEOSA-N 440.487 4.526 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871896219 IKYGXCIGKJFVNN-QFIPXVFZSA-N 428.598 4.823 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)C(C)C)S(=O)(=O)CCCC 1872278140 ISWCSFHIDBQUBG-DEOSSOPVSA-N 442.625 4.858 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1 1872769758 BHOIAYZZSMLBRY-IBGZPJMESA-N 429.501 4.613 30 10 IJEE CCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2cccs2)C1=O 1873048440 VOUPAPPQRBEPAO-UHFFFAOYSA-N 426.582 4.987 30 10 IJEE N#Cc1ccc(Nc2[nH]c(=NCc3ccccc3F)nc3c2cnn3-c2ccccc2)cc1 1873477672 VEWMGWMBSNXXCP-UHFFFAOYSA-N 435.466 4.604 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(CC2CCCCC2)nnc1SCCCO 1874408732 MVXXQFFWUZUAOL-KOEQRZSOSA-N 438.597 4.919 30 10 IJEE CCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2c(F)cccc2Cl)cc1 1874475791 RYEFUCXPPXEPKI-ZMOGYAJESA-N 448.951 4.833 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)c1 1874493203 ABMGXVMJMWRKRU-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CC2)c1 1874517663 FQBGXDRMFKSINM-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1c(F)cccc1Cl 1874524561 UGBPFPKQWNMDPW-FOKLQQMPSA-N 431.924 4.554 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874529846 DQXCMWASBZYTAA-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874531194 WDPVDMKGQRNGFX-LSHDLFTRSA-N 434.352 4.815 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cccc1OC 1874588450 NGJWQTFIJNHYFJ-MDZDMXLPSA-N 448.899 4.594 30 10 IJEE COc1cc(Cl)c(C)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccco1 1874589717 ZOAIBGLYROPSCO-MDZDMXLPSA-N 439.895 4.841 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c1 1874605534 SVEZHGHDXIEDHT-ZRDIBKRKSA-N 432.432 4.517 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)COc1ccccc1 1875151448 LISMIDBLRXRBNK-DHZHZOJOSA-N 446.455 4.695 30 10 IJEE C[C@@H]1[C@@H](C)[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 1903272069 KTNMGOUQLLSKQF-PJIJBLCYSA-N 435.487 4.714 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1964772162 IUWNBJOHAXCVJC-SQNIBIBYSA-N 441.410 4.868 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCC[C@H]1C#N 1985179784 QYFQSWMOIRAKPL-PCYHDRSOSA-N 445.563 4.748 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]1C1CC1 2073784164 XJFDECJCQGUBFM-VGOFRKELSA-N 448.568 4.996 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C=NO)c2Br)cc1O 2079977979 UGXHIJXYSBOSSG-KRWDZBQOSA-N 436.350 4.855 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C(F)(F)F)c(C=NO)c2Br)cc1O 2079999082 UTBGDIKNVXZGRL-CQSZACIVSA-N 448.239 4.576 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(F)c1Br 2102885352 NHTPWDUSEKPLSX-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE C[C@]1(C2CC2)CN(c2ccc(C#N)c(Br)c2F)CCN1Cc1ccccc1 2151102221 QNUQBWZGLPHIEW-JOCHJYFZSA-N 428.349 4.951 30 10 IJEE C[C@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1c1ccc(C#N)c(Br)c1F 2174811029 SWMAWQRETTUIFM-KBPBESRZSA-N 440.357 4.980 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174815349 SBBZNRZUHXTMIJ-CXAGYDPISA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CNc2cc(Br)cnc2C#N)CC12CCC2 2176864046 YFWXPRTZCHFWEN-AWEZNQCLSA-N 435.366 4.697 30 10 IJEE CC1(C)CC([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Br)cc2C#N)C1 2181114902 OVLCIMHSOQOYBW-MRXNPFEDSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN2c2ccc(C#N)c(Br)c2F)C1 2182069958 RCCMKPAWJARYTF-HXUWFJFHSA-N 438.341 4.830 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)[C@H](O)c1scc(Br)c1Br 2187473335 IHONCHGVOCDUQG-YPMHNXCESA-N 439.289 4.556 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccs1)C(=O)C#Cc1ccccc1Br 2227463548 OKNVWZCGMXWZHJ-QGZVFWFLSA-N 434.355 4.567 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239652441 KPIUSCBRRSIBFV-HKUYNNGSSA-N 439.394 4.805 30 10 IJEE C=CCCC1([C@@H](O)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266232043 MLGJQPZBKSJKNC-INIZCTEOSA-N 432.305 4.964 30 10 IJEE N#C[C@@H](C(=O)c1c(F)cccc1I)c1cccc(Br)c1 2282784100 LWEHVVRBLMYQPH-LLVKDONJSA-N 444.041 4.683 30 10 IJEE C#CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1ccnc2ccc(Br)cc12 2285318436 VNKRSMOIRKBDHP-NRFANRHFSA-N 433.346 4.930 30 10 IJEE CCN[C@H](C#Cc1cccnc1)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2295835484 NNOHGDSATAQEKW-LJQANCHMSA-N 430.346 4.893 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(C[C@@H](N)C#Cc1cccc(Br)c1)C(F)(F)F 2296221137 GAHGALICJBDNSW-YJBOKZPZSA-N 449.311 4.611 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H](CC)CN1C(=O)OC(C)(C)C 2296274987 XAECIBVUEPYRFL-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2296275071 XNCBVECKKVFDQA-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 2296293524 KNVYDNIPIVLPAY-DENIHFKCSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](C)CN1C(=O)OC(C)(C)C 2296297843 DEZIDDHMTNLCCJ-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2314028140 GAFNVECGIMQYPI-IEBWSBKVSA-N 445.560 4.974 30 10 IJEE CN(C)c1ccc(C=NN=C2SC(=Cc3ccccc3F)C(=O)N2Cc2ccco2)cc1 2314841390 YFRRKBYYPKONDT-UHFFFAOYSA-N 448.523 4.991 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CC1 2320842441 GVTNOCLXHYVGOK-UHFFFAOYSA-N 425.583 4.755 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2COc2c(C)cccc2C)ccc1OC(C)C 2322092472 SBENTLGACGPUNP-UHFFFAOYSA-N 440.569 4.831 30 10 IJEE COc1cc(Br)cc(C=CC(=O)c2cccc3ccccc23)c1OCCO 2322724833 XMMBNWJDFBOFPB-UHFFFAOYSA-N 427.294 4.878 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(N(C)C)c([N+](=O)[O-])c4)cc(C)c3C2=O)o1 2322979023 GWZGEYXSBLYQKD-UHFFFAOYSA-N 448.431 4.706 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2324406109 YOVUGMZJMOTBQG-MRXNPFEDSA-N 443.455 4.746 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325330381 ANPQMPYUPZVGQC-LBPRGKRZSA-N 437.275 4.567 30 10 IJEE O=C1C(=Cc2cccc(Br)c2)Oc2cc(OCCN3CCCCC3)ccc21 2325701200 OWXHPZADPQDWLF-UHFFFAOYSA-N 428.326 4.930 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cccc(C)c3)cc(C)c2C1=O 2325727061 NRXXYJCFTXENFM-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCCO)n1N=Cc1ccccc1Cl 2327120775 DKBQBAYPJWBLPD-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)cc1 2329278075 QTPMEEQGWSWPAD-UHFFFAOYSA-N 433.512 4.586 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccn2)cc1C 2330536170 ZWCWHFDAQFBYJN-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(F)cc1 2330684749 VJURIGYEVQNAKN-UHFFFAOYSA-N 439.560 4.707 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccc(OC)c(OC)c3)cc2)c1 2330774520 BOMFGBZMKZVNTI-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccc(C)cc3)nnc2[C@H]2CCCO2)ccc1O 2330889218 ANPHUQZBJKHMHV-HXUWFJFHSA-N 438.553 4.717 30 10 IJEE CCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2331037176 PQBGOGWIVBCOCB-UHFFFAOYSA-N 434.242 4.577 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccccc1F 2331326845 VLMLSCWPRSIJRU-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCC)nnc1SCC(=O)Nc1cccc(C)c1 2331636827 KTLXVCCBAMBRQI-UHFFFAOYSA-N 449.580 4.717 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2ccc(OC)cc2)n(-c2ccc(Cl)cc2)n1 2331673548 SHJQKTLGAJKHEH-UHFFFAOYSA-N 449.942 4.760 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c3ccccc23)cc([N+](=O)[O-])c1OC(C)=O 2331869611 UHIINOWSYMVODF-UHFFFAOYSA-N 435.432 4.977 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)CCc1ccc(OC)cc1Br 2339380389 MQTUFPBXLVGFPL-MSOLQXFVSA-N 428.367 4.611 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)COc1ccc(Cl)cc1Cl 12238723 WDDFSPSGONZACJ-UHFFFAOYSA-N 438.274 4.616 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccc(OC)cc1 23998325 CLVHIZFPLZLMFC-MSOLQXFVSA-N 448.592 4.988 30 10 IJEE CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@H]1c1ccc(C#N)cc1 32998114 JMGFKYADIRBLLJ-FQEVSTJZSA-N 437.912 4.620 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C/c2cccc(O)c2)C1=O 36257887 AVOTWTXOXHMUNI-MHWRWJLKSA-N 435.423 4.955 30 10 IJEE Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3)c2O)c1 38619802 NLRYQDKVIOGDGN-IBGZPJMESA-N 444.531 4.864 30 10 IJEE CCc1ccc2oc(C(=O)c3c(C)c(C#N)c(=O)n(CCc4ccccc4)c3O)c(C)c2c1 38620204 UUZBEJFNQFCJRG-UHFFFAOYSA-N 440.499 4.825 30 10 IJEE COc1ccc2ccccc2c1/C=N/c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 59466987 DMJASXHJJOJTKL-MFKUBSTISA-N 446.532 4.807 30 10 IJEE CCCCCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1 100170654 SZXIZQWMQSDMIW-UHFFFAOYSA-N 441.663 4.671 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 102569453 IHUUHOKTRCGFBS-UGUGFTGJSA-N 429.472 4.639 30 10 IJEE CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O 103779186 ABYNPXAYHTUOOK-BVTUPMQUSA-N 445.331 4.767 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1cc(C)ccc1C 169912894 GCSHSZUKOXCVAX-PMIGXTIBSA-N 438.553 4.505 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945727 LADABFWQISXLTM-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCC2)cc1OC 169950018 HFAPTEDTJDVXOS-XMMPIXPASA-N 435.520 4.544 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccc(O)cc2)cc1 169963080 NGLKSENBMLYTMT-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccn1 169992973 MWVVPKYTJDDTCW-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccco2)cc1 170094616 CLGGWWLMIJOVJI-FQEVSTJZSA-N 436.851 4.674 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)cc1 170114570 KSULDLQRROHJNL-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccnc2)cc1 170191962 SDNVVQCSPASTHX-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccncc2)c1 170200540 XVSAKLHUWHNSDX-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)cc1C 170289859 YWAMSCRDNASWQP-JOCHJYFZSA-N 428.444 4.641 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170452457 KTJXWBBBCIRWNE-NRFANRHFSA-N 428.479 4.936 30 10 IJEE COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(C)C1=O 252635670 WZHOZDHZZNPKHM-GOSISDBHSA-N 431.945 4.556 30 10 IJEE O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 252642896 ZQOYMBBFBRZPEW-NRFANRHFSA-N 433.508 4.986 30 10 IJEE Cc1cc(C#N)ccc1CNc1cc(I)ccc1Br 311595693 YSPNUTWIWTUGDI-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE Cc1cc(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)sc1C#CCCO 390662361 QMPUYQVSILXPJB-UHFFFAOYSA-N 446.616 4.613 30 10 IJEE Cc1ccc(CN2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 404402555 WVBDFCBKKLYPEA-VABKMULXSA-N 448.460 4.778 30 10 IJEE C=CCCCNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 468385311 VMXZLHJHBDLDGK-UHFFFAOYSA-N 426.748 4.654 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nnc(-c2cc(F)ccc2C)s1 471364106 SNJJCCOPHMQJBB-UHFFFAOYSA-N 427.461 4.781 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508478448 RRCXABGIMXJKRQ-IAGOWNOFSA-N 440.523 4.634 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 526484943 GQQKTRXUMOFSDS-QHCPKHFHSA-N 441.443 4.922 30 10 IJEE COc1cccc([C@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)c1 526514615 GAYZUBCYDFECPQ-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1/N=C\c1cccc(OC)c1 526827881 MGNJWUYOSDSWKV-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE CCOc1cc(/C=N\n2cnnc2SCc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C 526828279 DPYSVMDTIRVHHH-FMCGGJTJSA-N 441.513 4.547 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 548851930 UKPRBXBSEUNYEG-HNNXBMFYSA-N 434.384 4.698 30 10 IJEE C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CCO[C@H](C2CC2)C1 549293837 POYLETYYWYBBLG-DEOSSOPVSA-N 430.552 4.715 30 10 IJEE CC(C)(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 551830804 GJEQZGVSPVMMTR-NRFANRHFSA-N 443.551 4.795 30 10 IJEE C#CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(CCCCCC)cc1 586232996 XRWNZQSYTVCDCV-UHFFFAOYSA-N 427.566 4.815 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccccc2Cl)CC1)c1c(F)cccc1Cl 586505537 ADZVNOHKJKIPQD-UHFFFAOYSA-N 446.327 4.579 30 10 IJEE O=C(CCC1CCCCC1)NC1CCC(OS(=O)(=O)c2ccc(Cl)cc2)CC1 586508575 ZQNZXVIYNJYHPX-UHFFFAOYSA-N 427.994 4.833 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1F 733196437 BKCIZFQTXHSEDW-JOCHJYFZSA-N 445.519 4.963 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(F)cc1 735970153 WCDHBSSMRLVSER-QGZVFWFLSA-N 435.883 4.678 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CCc3ccc(C(C)=O)cc3CC2)c1=S 755773083 BUSGLWBMFXGGAF-UHFFFAOYSA-N 436.556 4.667 30 10 IJEE C#CCN(C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12)C1CCCC1 757179978 PXNAUUAUWIQFFB-UHFFFAOYSA-N 444.531 4.946 30 10 IJEE C=CCOc1c(Br)cc(CN2CCC(c3nccc(C)n3)CC2)cc1OCC 757927629 IEJAMOKBLMTCTD-UHFFFAOYSA-N 446.389 4.891 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CNC2(c3nc(C)cs3)CCC2)c1=S 764109493 DDXDVAVQPYONRT-UHFFFAOYSA-N 441.626 4.879 30 10 IJEE C=C(C)C[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(Br)cc1Br 767705231 ZJRBRACYIKDAHO-WDEREUQCSA-N 433.140 4.684 30 10 IJEE C[C@@H]1Oc2ccc(/C(=N/OCCCOc3ccc(Cl)cc3)C3CC3)cc2N(C)C1=O 821228778 QUZUHUBINNYTQI-XBWRSUJGSA-N 428.916 4.684 30 10 IJEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)n[nH]2)cc1 1084439872 HHTIXNOKTOINOL-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(Cl)c(F)cc2Br)cc(OC)c1OC 1125478104 HYAZWNHYSZSLQO-UHFFFAOYSA-N 442.712 4.917 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)OCc3ccc(Oc4ccc(OC)cc4)cc3)cc2C1=O 1128011398 OIDNQCJJAKKOGB-UHFFFAOYSA-N 443.455 4.627 30 10 IJEE C=CCCC[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)c1ccccc1 1133167719 DKHOIGCHJISHBQ-FQEVSTJZSA-N 447.348 4.922 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)CCCN1C(=O)OC(C)(C)C 1134526200 SDQOFKUYJCVMQP-FTJBHMTQSA-N 438.568 4.799 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)ccc1Cl 1176531962 GONDVXUVCNIYMP-IMWIBFENSA-N 425.960 4.746 30 10 IJEE C[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 1186939551 FUWJMKXOGSOGGA-XNAIMREJSA-N 428.863 4.906 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)COc2ccc(F)cc2F)cc1OC 1199732841 SPHIAITURMLVGQ-ZDUSSCGKSA-N 442.300 4.858 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC2(c3cccc(F)c3F)CCCC2)n1 1203298045 CHPNVCIVQLPVMY-UHFFFAOYSA-N 439.441 4.795 30 10 IJEE COc1cccc(C2(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)CC2)c1 1205103900 BBTNQLNVGTYSDQ-UHFFFAOYSA-N 429.524 4.861 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@]2(C)CC2(Br)Br)cc1 1269744863 JJSSYJYBEIBMIJ-MRXNPFEDSA-N 445.151 4.531 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H](C)C(C)(C)C)c1 1277920555 RFPDOIQKPSYJIM-MRXNPFEDSA-N 434.989 4.886 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 1286302235 CDYDAQOKHBTBIO-QZNHQXDQSA-N 447.652 4.689 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286407479 WSOIVVUSXNZQRD-ROUUACIJSA-N 439.485 4.803 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1Cc1cn2ccc(C)cc2n1 1286454576 KSGFSRWUHBBBMC-LJQANCHMSA-N 430.531 4.575 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(CC)CCCC1 1286463151 AOWVXTWXNFIRDX-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N(C)CCCc1ccccn1 1286532417 DNKRLYFBBPZFRW-UHFFFAOYSA-N 426.362 4.626 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1286541926 GAKUVTVYGITURT-NRFANRHFSA-N 444.377 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CCCS1 1286561064 BAFAGVFQQJUEIF-QHCPKHFHSA-N 427.618 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286668218 PWPOSNLXRXKQRX-GOSISDBHSA-N 429.996 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1286669607 LSBHYEBAFGXCAU-OAQYLSRUSA-N 446.599 4.666 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1286679253 MSZCFYIZBARXIP-OAQYLSRUSA-N 429.572 4.620 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1CC1CCN(C(=O)OC)CC1 1286680254 AWVONKNUZKAKEG-UHFFFAOYSA-N 443.567 4.745 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H](OCC)C1 1286695888 MEUXOHKAFCPSJM-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1286721539 XYRQCSHUGWQCRT-WOJBJXKFSA-N 432.616 4.872 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCCC1CCOCC1 1286960333 DQVKSROTYYLSHN-INIZCTEOSA-N 446.393 4.510 30 10 IJEE C[C@H](Cc1cccs1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1288557902 GUWVGXURZMVNBW-QUCCMNQESA-N 435.597 4.620 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1Cc2cccc(Br)c2C1 1300361586 HNQGZANOPKFQDQ-IBGZPJMESA-N 429.362 4.606 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCc1nc(C(C)(C)C)cs1 1300476813 UNHPMQZJMQTFJB-UHFFFAOYSA-N 439.654 4.945 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1nc(C(C)(C)C)cs1 1300513599 ZSHPHCOSTFGPAQ-FQEVSTJZSA-N 431.609 4.695 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2sccc2c1 1300548028 VOZDREREUVAENP-IFMALSPDSA-N 432.593 4.533 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCCc3ccc(C4CCCCC4)cc3)ccc2c1=O 1300728468 OGOSIWGRHVPIBD-UHFFFAOYSA-N 447.604 4.891 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)nnc1C(C)(C)C 1300895021 LBIXSWZSFYKRSA-YKWDRNOUSA-N 442.579 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCC2(C1)OCCO2 1300905617 BRNQOCDHURVURU-QGZVFWFLSA-N 446.979 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301143299 HXGGMLUTXNOWJE-INIZCTEOSA-N 428.886 4.968 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(SC)CCC1 1301270968 SNHNMJLEPMOARK-UHFFFAOYSA-N 425.371 4.755 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1CC1CCCC1 1301415545 WDRQQSONPUVGMK-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1ccsc1)N(C)C 1303635481 GXHAQLNWMQLZMZ-IERDGZPVSA-N 433.585 4.529 30 10 IJEE CC[C@H](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(C)C)C1)OC 1305358056 FRBWBLRTXQZRRI-WPYKKVEZSA-N 439.604 4.662 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1=O 1310889062 QAENJRMXKDYCRX-LJQANCHMSA-N 440.956 4.613 30 10 IJEE C#CCO[C@H](C)C(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC 1348439861 STYVPMRPFQSNLF-LLVKDONJSA-N 426.321 4.875 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N=c2sccn2Cc2ccccc2Cl)cc1OC 1353538645 OBXZHRHBUIVBJL-QRWDPUFZSA-N 440.952 4.965 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)c1ccccc1 1357255449 WEDMIHMJMKCLSX-AZGAKELHSA-N 446.639 4.582 30 10 IJEE C#CCCCCn1c(N2CCc3sccc3[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1358917216 KBGJVOFOCKASHX-RDPSFJRHSA-N 442.629 4.698 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCCCN1CCCC[C@H]1C 1358988906 HXNDJDNZEWQXOS-HSZRJFAPSA-N 431.628 4.625 30 10 IJEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OC(C)(C)C)nc1 1359000827 FRNOBLAYUVGWBO-QFIPXVFZSA-N 431.584 4.900 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(C)cc(C)cc1C 1359107700 SPFDLSBTJYYAOC-RUZDIDTESA-N 426.605 4.695 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](OC)C(C)C)CC1 1359175563 RCHGKFKEHPYTRO-HNNXBMFYSA-N 439.423 4.843 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@@H]2CCOC2)CC1 1359208324 JWZKSIUZQMBYMJ-AZUAARDMSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CC=C(C(F)(F)F)CC1 1359220279 UFAVFNFRGOPTPK-UHFFFAOYSA-N 436.478 4.921 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1359243319 NQXZXXFHYWQPDD-HXUWFJFHSA-N 432.996 4.689 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)c1cccs1)C1CC1 1359246592 GKQSYHUFXYWRKK-HJPURHCSSA-N 442.560 4.681 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1ccnc(SC)c1 1359259920 MPVDQCCDTJJOJA-UHFFFAOYSA-N 446.555 4.837 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1OCCC1(C)C 1359260788 OEPLHVKSPGMXGP-SFTDATJTSA-N 428.552 4.667 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)C 1359275318 QBHVTURVAPQYGS-ISKFKSNPSA-N 433.600 4.960 30 10 IJEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1359305142 UMODMFPGYGVJLV-AEFFLSMTSA-N 448.036 4.541 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC2(F)CCC2)C1 1359315115 OGBUIHHIUVKHGJ-SFHVURJKSA-N 449.368 4.771 30 10 IJEE CC(C)(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1OC1CCCC1 1359529819 HPBPTERPYDLTOE-DEOSSOPVSA-N 425.552 4.678 30 10 IJEE C=C(Cl)CNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1444353647 FWTQDTBWVYSELB-UHFFFAOYSA-N 440.952 4.564 30 10 IJEE C#C[C@H](CC)NC(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1448961943 KCCQITVMFRUTFJ-GOSISDBHSA-N 432.564 4.858 30 10 IJEE C=CCC[C@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)c1ccccc1 1455873942 ARXWDQOYKBYLLO-RCCFBDPRSA-N 426.479 4.650 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 1458505661 LXLIPKUHGWYTCP-BZNIZROVSA-N 447.347 4.645 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nc2sc(C)c(C)c2c1=O 1458824178 MQUIAKDLJMFNQX-MRXNPFEDSA-N 445.997 4.812 30 10 IJEE COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1460028431 DEUJNXPGJYVSIS-CYFREDJKSA-N 442.515 4.809 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2COc3c(C)cccc3C2)cc1OCC 1461552390 NNUFIJAIKXWZKF-SFHVURJKSA-N 432.358 4.814 30 10 IJEE C#CCN(CC1(CNC(=O)OC(C)(C)C)CC1)[C@@H]1CCOc2ccc(Br)cc21 1461987294 JMYZOPSMJGWPEF-GOSISDBHSA-N 449.389 4.513 30 10 IJEE COC[C@@H](C)N(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1cc(Cl)ccc1C 1462074663 ABBKUKVJZSQERJ-AEFFLSMTSA-N 429.923 4.554 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 1466193976 GNJOKBFETUAQLI-QFIPXVFZSA-N 444.535 4.763 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 1471718285 SCJQDTWEEAMKLA-UHFFFAOYSA-N 433.346 4.938 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)cc1 1476754852 GVIFUYRXZPYTOP-PKOBYXMFSA-N 440.956 4.638 30 10 IJEE C#C[C@@H](NC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 1478893661 LFTOBMWZTUOBCO-OAHLLOKOSA-N 431.842 4.659 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CC1 1479070521 ANOHZPDCGBMPIO-UHFFFAOYSA-N 429.351 4.602 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1500037106 GGZPZTKNUOSNHR-ROUUACIJSA-N 440.592 4.697 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@@H](C)C1CCC1 1507783242 ATLGWBSOVPKMJP-KXBFYZLASA-N 447.377 4.714 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 1507903630 SZRYDNPCGDBJFX-HSZRJFAPSA-N 437.632 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1507922459 AXLDMFYORNEKTN-HSZRJFAPSA-N 431.584 4.834 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnc(C)s1 1507931116 TVVREFDQXLGQJC-UHFFFAOYSA-N 433.585 4.888 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1507939272 OGQXBBPHBDGGGN-WOJBJXKFSA-N 429.634 4.633 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1507973551 ITDIUTNICHXIPB-GOSISDBHSA-N 427.593 4.775 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H](C(C)C)N1CCCC1 1507996202 GZBPHPGCUOGDMP-QHCPKHFHSA-N 434.632 4.760 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1CSCCS1 1508005282 PREXQIDHEOSHEE-LJQANCHMSA-N 441.601 4.520 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCC1=O 1508011460 FFSBWXRWAKSJMW-UHFFFAOYSA-N 448.398 4.833 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC1(CC)CCC1 1508038691 VFWUYKMLECANCP-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC1CCOCC1 1508151615 ZABDBIDHNVZKET-QGZVFWFLSA-N 446.686 4.913 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1508168849 ZIBKOAOVTPGBIR-BWAGFHJFSA-N 437.613 4.663 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)CC1 1515219512 AYFPFDPIKWGWAY-OAQYLSRUSA-N 425.577 4.560 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1)CCC(F)(F)F 1515718712 CXZZKTPRKYOUAX-UHFFFAOYSA-N 448.537 4.717 30 10 IJEE COc1cc2c(cc1Cn1c(C3CCC3)nnc1N(CCC#N)CCC(C)C)O[C@H](C)C2 1518063851 BQJOQPCYBIKNPJ-GOSISDBHSA-N 437.588 4.692 30 10 IJEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CCCCC1 1518788600 BDZKQAMVYWBDMD-RTBURBONSA-N 439.629 4.744 30 10 IJEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(OCCC(C)C)c1 1519767560 BKWZYRUTISXANN-UHFFFAOYSA-N 441.959 4.608 30 10 IJEE CCOc1c(Br)cc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1OC 1525761556 CYHJWPWTWCIRLY-GOSISDBHSA-N 429.314 4.535 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1528714151 FLHUIUKHHKHEMV-JOCHJYFZSA-N 426.495 4.991 30 10 IJEE C=CCN(C(=O)c1cc(Br)c(C)s1)[C@H](Cc1ccccc1)C(=O)OCC 1529015487 WTELHEWBTDXLKK-QGZVFWFLSA-N 436.371 4.622 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)CCCN1C(=O)OC(C)(C)C 1530768472 RUJSMGVPEUEXTI-SAHWJRBASA-N 436.499 4.606 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)cc1OC 1531130383 WCMFTRKIURQFKM-VURMDHGXSA-N 438.505 4.683 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@H](C3CCCC3)C2)nnc1-c1ccc(Cl)cc1 1536829267 ZFJQSIZZKJLFMP-SFHVURJKSA-N 431.005 4.915 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)CCCN1C(=O)OC(C)(C)C 1537527279 JEBOERMYSVRRMH-SSOJOUAXSA-N 440.540 4.720 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 1538509373 LDVPRMUPBOWFHB-OAQYLSRUSA-N 438.980 4.957 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)[C@H](C)CC 1539343650 OMDFVATUMJSNCE-IMWIBFENSA-N 447.023 4.945 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1539524558 IJVDFIUDSNFEGD-INIZCTEOSA-N 430.568 4.779 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCNc1ccccn1 1539662449 UANMDVDLDJDKCB-UHFFFAOYSA-N 429.572 4.736 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1539752804 ZZLQYXVHTHVASH-SIKLNZKXSA-N 449.426 4.790 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1539898311 RGUMVNUDFQCCPW-NBGIEHNGSA-N 426.605 4.673 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539953892 PFKCZXQHNGRXKI-RUZDIDTESA-N 437.588 4.630 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1540098916 MKRGODMVAVVBBA-PMACEKPBSA-N 432.616 4.728 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@H](O)C1 1540177571 RSPICZORSSBDSL-HKUYNNGSSA-N 433.021 4.953 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(I)ccc1O 1540283811 ZNEAKKOUWGTDHA-UHFFFAOYSA-N 433.698 4.540 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1C1CCC1 1540911254 VMPNRLXLNJLLSV-KRWDZBQOSA-N 436.423 4.724 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CC(F)(F)C1 1541806151 GAAGIUQTEVOWCQ-GFCCVEGCSA-N 444.313 4.948 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCSC2)cc1 1542508967 DEXKXPJXQIRGJJ-LJQANCHMSA-N 427.643 4.762 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC#N)CC2)n1 1542847171 BLHSTMKCWCCTRM-INIZCTEOSA-N 431.569 4.515 30 10 IJEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1545329929 BZIMTWCAMROGGL-HNNXBMFYSA-N 428.462 4.762 30 10 IJEE C=CCCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1558698860 PWAYWCJTIDNBST-UHFFFAOYSA-N 440.487 4.935 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)nc2sc(C)c(C)c2c1=O 1559328622 HQDGFLGEYIOMSE-ZRGWGRIASA-N 447.670 4.882 30 10 IJEE COC(=O)c1ccc(C)c(NC(=O)CN(Cc2cccc(C#N)c2)c2ccc(F)cc2C)c1 1559621618 BWMQUYJWGTYRLG-UHFFFAOYSA-N 445.494 4.746 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)Cc3ccc(OC)nc3)c2C#N)C1 1559990938 BWXTTZKFFNIFAZ-QGZVFWFLSA-N 440.613 4.635 30 10 IJEE C#CCC1(NCc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)CCOCC1 1560154504 LSDIGXRNJIVPPE-UHFFFAOYSA-N 438.380 4.797 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1c(Cl)cccc1-n1ccnc1 1560483891 POGZQDPFBJPAQD-UHFFFAOYSA-N 430.733 4.590 30 10 IJEE COC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 1562206173 DEBYYLAZTOBBQZ-FQEVSTJZSA-N 435.524 4.529 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(C(=O)OC)c(C)c1 1562335515 JDTYHWMAXGNORQ-UHFFFAOYSA-N 435.293 4.903 30 10 IJEE CC[C@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)N1CCc2ccccc2C1 1563461248 FDWRWLQSRCTMJD-HSZRJFAPSA-N 444.604 4.923 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1 1564330310 RYYZRAKXTMEVQL-YSIASYRMSA-N 431.577 4.754 30 10 IJEE C#CCN(C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 1564519635 VJYXFZMKHCKTGJ-CVDCTZTESA-N 439.600 4.744 30 10 IJEE C#C[C@@H](NC(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C)c1ccc(Cl)cc1 1564996829 KLFMRNFYWXPLLT-OAQYLSRUSA-N 428.960 4.942 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(I)c(Cl)c2)cc1 1585673930 IPCVKQCBPNDSDW-UHFFFAOYSA-N 425.653 4.599 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 1586657652 MOOBHCBZEHQBQD-UHFFFAOYSA-N 428.458 4.872 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(C)C)C1 1588993487 JDYNMGFJFNSKAG-HXUWFJFHSA-N 434.613 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1589543973 DOIFVFCPCJGHHK-LGVFNWMJSA-N 438.616 4.850 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1c(C)noc1C 1589557848 JJQIONDTRQGCON-RCZVLFRGSA-N 449.599 4.676 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@]2(CCSC2)C1 1589721975 KAPCOPIECNLPDE-IBGZPJMESA-N 437.382 4.756 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](Oc2ccccn2)C1 1593600537 PEPBBLTZTYVOQB-MRXNPFEDSA-N 430.339 4.881 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1594209437 WONFBXPCCKMPML-WJOKGBTCSA-N 440.657 4.946 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccccc1 1594552986 VFDAEJJTZSHWMT-JTHBVZDNSA-N 448.615 4.503 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1594615550 JQFPBHLFXYAPJZ-SFHVURJKSA-N 446.542 4.854 30 10 IJEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)c1cccs1 1594798245 PEKWRLVMGRLNIV-QGZVFWFLSA-N 440.569 4.568 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21)C(C)C 1595165222 CVYSRYYZHQGGAZ-RBZQAINGSA-N 430.600 4.504 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1595659189 VAJJCVZFGHZNRY-HDICACEKSA-N 437.613 4.729 30 10 IJEE C#CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[C@H]1CCCc2ccccc21 1611224196 XEOQQIXFVQJHQE-DEOSSOPVSA-N 442.519 4.609 30 10 IJEE C#CCN1CCC(C(=O)N(C)Cc2c(OCc3ccccc3)ccc3ccccc23)CC1 1611455524 NCILMESFXNKAEW-UHFFFAOYSA-N 426.560 4.722 30 10 IJEE Cc1ccsc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1611891468 DYRDHUZLQUUVHJ-BOCKYXSRSA-N 427.618 4.745 30 10 IJEE COc1ccc(C2(C#N)CCN(C(=O)OCc3ccccc3)CC2)cc1Br 1614663106 KTNSKFCBZANAIG-UHFFFAOYSA-N 429.314 4.652 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCC[C@@]1(C)Cc1ccc(I)cc1)OCC 1616262797 LCOLDJWITHATJV-QUCCMNQESA-N 441.353 4.586 30 10 IJEE C=CC1(CC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CN(C(=O)OC(C)(C)C)C1 1620755181 BJXLHBWJHGRLFA-UHFFFAOYSA-N 448.976 4.534 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)c(OC)c1 1624930217 JWCHPHZJWHRXCD-UHFFFAOYSA-N 431.488 4.681 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(-c4cccc(C)c4)cc3)ccc2c1=O 1634202970 FQPAKIMZVOTFDX-UHFFFAOYSA-N 441.556 4.777 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl 1634392422 HTVZVSNJIUAMPU-SFHVURJKSA-N 432.973 4.938 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cc(C)n(-c4cccc(C)c4)c3C)n[nH]2)c1C 1635326458 HOIMQQAVFPMQLY-UHFFFAOYSA-N 442.567 4.722 30 10 IJEE C=CCCC1(CNC(=O)N2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)CCCC1 1636897376 ABSONLINNNUTCJ-SFHVURJKSA-N 443.617 4.713 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC 1638664170 DIZHPYPNOYDDGW-SFTDATJTSA-N 426.513 4.787 30 10 IJEE C#C[C@H](NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 1641283288 OUHLXTOOBCQGJZ-DQEYMECFSA-N 431.507 4.955 30 10 IJEE C=CCCN(OCc1ccccc1)c1ncnc2cc(I)sc12 1642590973 CQMPOHYYAGTLEA-UHFFFAOYSA-N 437.306 4.810 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(O[C@H](C)c3ccccc3)cc2)c1 1647130556 UOLIWJRMHNIPAC-VQTJNVASSA-N 441.531 4.807 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(Br)cn2)nnc1-c1ccc(C)cc1 1652741772 VZIRNWXGNPXAEI-UHFFFAOYSA-N 429.343 4.572 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(Cl)c2nonc12)c1ccc(C(F)(F)F)cc1 1654703018 WPDVIXDCCLNUKO-CQSZACIVSA-N 445.850 4.881 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)OC)c2cccnc12 1656216832 DXASFFNSBRRIKN-UHFFFAOYSA-N 430.533 4.682 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)Nc2ccc(CC#N)cc2)C1 1657641024 GUOWNXJOVUMUOU-CTNGQTDRSA-N 426.561 4.786 30 10 IJEE CCC(O)(CC)CN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1661515242 HEULIDYFFRXHIN-UHFFFAOYSA-N 440.491 4.639 30 10 IJEE Cc1ccc(NC(=O)C2(CNC3CCN(Cc4ccc(C#N)cc4)CC3)CCCC2)cc1C 1661599778 DNRJLFWYSVFCQE-UHFFFAOYSA-N 444.623 4.928 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc(Cl)c1C 1661874983 DUJYWWVNKQQFIM-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 1663252726 DXBGYLFUYKNSSL-MRXNPFEDSA-N 443.725 4.639 30 10 IJEE COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 1665813342 GWTNYQSWWJVHLO-QTLGCAHFSA-N 441.531 4.884 30 10 IJEE C=CCCOCCNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1668179862 ONVGWZLLNRXSIJ-UHFFFAOYSA-N 433.386 4.851 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccc(Cl)cc1 1668825480 ZPKXEXAMLANKIE-TZIWHRDSSA-N 434.342 4.771 30 10 IJEE C#Cc1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(Cl)c1 1673387600 ZDMCWCXWWNFXHM-NXEZZACHSA-N 446.725 4.956 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1cc(C(=O)OCC)ccc1I 1674256752 XHWSBNUXWKIGFX-UHFFFAOYSA-N 444.313 4.582 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc(C(=O)OCC)cc(C(=O)OCC)c1)c1ccc(F)c(F)c1 1674795418 LUXRQGBLPKTQQD-HXUWFJFHSA-N 446.450 4.757 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)c(F)c1 1678171050 JNCPSXSOYKWMDZ-FGZHOGPDSA-N 449.929 4.608 30 10 IJEE Cc1cc(NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C#N)cc1N(C)C 1678199129 ACFMYZUBAQDBOG-UHFFFAOYSA-N 445.498 4.646 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C 1678801733 IKDVCAPFWQBGJI-HNNXBMFYSA-N 447.988 4.819 30 10 IJEE C#C[C@H](NC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 1679679998 CMLNIEDKTHVGLP-SANMLTNESA-N 429.539 4.892 30 10 IJEE C#CC[C@H](NC(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1680515827 TWXIWBFVWURVHR-OFVILXPXSA-N 425.573 4.716 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)[C@@H]1CCCc2ccccc21 1681387882 RXQZQFDUIATZFK-RPWUZVMVSA-N 432.955 4.885 30 10 IJEE C=CC[C@@H]1N(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCC1(C)C 1681894236 AKOLIUMHZBNQRC-FQEVSTJZSA-N 439.522 4.818 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCC(c2ccc(C(C)(C)C)cc2)CC1 1682349003 MHNSINDUVNOXLD-UHFFFAOYSA-N 426.601 4.997 30 10 IJEE C#CCN(C(=O)NCC1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCOc2ccc(Br)cc21 1682577647 CZZYOJYHGJJBDX-JXXFODFXSA-N 433.390 4.990 30 10 IJEE N#C[C@H]1CC[C@@H](NC(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)C1 1683500106 DZSNLCAIXZPZPP-WWPVKYPJSA-N 437.588 4.577 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@@H](C)N1CCCCC1 1689973734 NWPNZAVNVIZBJN-JOCHJYFZSA-N 437.632 4.623 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(C)OCCc2sccc21 1690038234 IASBANMELJRZDF-AREMUKBSSA-N 444.604 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(C)nc1 1690194100 ZCWFSIHCCBWILH-HFZDXXHNSA-N 429.568 4.779 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(F)cc1F 1690251461 VOANUNDXGJAYLD-WMZHIEFXSA-N 430.543 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1ccnc(N2CCCCC2)c1 1690260389 JJHFTCKHGYWRIE-UHFFFAOYSA-N 446.599 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1690261196 AYXYICGIHLMLML-UHFFFAOYSA-N 435.572 4.738 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C)[C@@H](C)CC)CC1 1690399269 RYQOEGBEZOZLQY-OALUTQOASA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1690436692 XONZZGHRLQTQIJ-LJQANCHMSA-N 442.677 4.953 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1690477871 JQOHEPKXZLJMFO-UHFFFAOYSA-N 448.571 4.517 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)CC1 1690502797 HAPMQHKCVRPCDT-UHFFFAOYSA-N 439.648 4.613 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1oc(CCC)nc1C 1690585738 UHGPLUAAYVMSEG-UHFFFAOYSA-N 445.365 4.511 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)N(C)C1CC1 1690585959 BFOCBSHYSUCMCD-KRWDZBQOSA-N 444.421 4.677 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](c1cccnc1)C(C)C 1690588519 YYQUGNAMBJPGQW-QFIPXVFZSA-N 445.567 4.730 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCSC1 1692821659 FGDSTJZXHYYPSU-WMZOPIPTSA-N 446.020 4.955 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1csc(CC)n1 1705607845 SNBBKKCWVBSDSW-UHFFFAOYSA-N 444.402 4.543 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCCc1nc(C)cs1 1705674970 CGRIYAWGUOTDPZ-XMMPIXPASA-N 437.588 4.788 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1705685678 GXFRUATZTILVNP-INIZCTEOSA-N 437.407 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(OC)CC1 1705702261 GGBPUHVQKVYLLT-UTSGNWPNSA-N 445.007 4.975 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CCCCC2)CC1 1705765498 OSIAMVZAKLBCLB-UHFFFAOYSA-N 449.368 4.698 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCC2CCOCC2)CC1 1705779100 VJPAAGZYOPXQOO-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705791453 WLECUWQEAARTJW-YADHBBJMSA-N 435.572 4.572 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](COC)C1 1705801240 YOWRIBSLFZINDY-HNNXBMFYSA-N 439.423 4.988 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCSCC(F)(F)F 1705862808 WJKUPPKFUZPEFQ-UHFFFAOYSA-N 439.482 4.900 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)CC#N 1709643076 CDKWFBHZYSBIGS-FYYLOGMGSA-N 447.631 4.674 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1oc(CCC)nc1C 1722279418 SKMDWZBUQYBZLO-RDJZCZTQSA-N 441.963 4.827 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCC1CCOCC1 1722301214 ATKHPKBWVNPZDZ-QGZVFWFLSA-N 433.021 4.889 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCSC[C@H]1C 1722315645 YYUZKOUBQMKQBT-CYBMUJFWSA-N 425.421 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@@H]1CCO[C@@H](C)C1 1722392963 OZTXIZVXTFZVQS-ZWKOTPCHSA-N 445.394 4.920 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCSC1(C)C 1722407876 UYNJRGZVAMKHQB-LJQANCHMSA-N 442.629 4.732 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1722520214 YJPFPDNOTVLDDK-HNNXBMFYSA-N 427.911 4.744 30 10 IJEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722535199 BGKYWFIARMTONW-OAQYLSRUSA-N 430.543 4.528 30 10 IJEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N(Cc1cccs1)Cc1cccs1 1722549157 DQEBXGJJCCSCQC-UHFFFAOYSA-N 430.990 4.761 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1722568113 BKRKIEHTIYREHS-DEOSSOPVSA-N 437.632 4.832 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1722586503 HNIYAYCDOIWGNM-UHFFFAOYSA-N 425.540 4.503 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722590067 VYRKQDLIJVPTKS-SVGJNIJCSA-N 438.616 4.673 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1C 1722669559 WONPVXHHWVWVNF-WOJBJXKFSA-N 446.599 4.680 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCS[C@@H](C(C)C)C2)cc1 1722705282 BBDOLJWAKLVFTP-FGZHOGPDSA-N 442.629 4.711 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccs1 1723988002 FJRCGYGADFQMLJ-BTYIYWSLSA-N 445.951 4.818 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cn(CCCCC)nc1C 1740600583 PEYYNEHGYMALPO-UHFFFAOYSA-N 430.600 4.561 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)[C@H](C)C1 1740720365 WDBLLGZSKNMKBY-RTBURBONSA-N 447.048 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CC1CCN(c2ccncc2)CC1 1740775965 MUSKZIXKNWEIMY-UHFFFAOYSA-N 436.629 4.644 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCCC1(C)C 1740777365 WQDLRPLTHBJODR-XMMPIXPASA-N 444.645 4.923 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1740806866 ZSAHURMTPJETHX-UHFFFAOYSA-N 428.943 4.567 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N(C)Cc1ccc(Br)o1 1740812534 BMRAVVOKVOBARH-UHFFFAOYSA-N 435.753 4.808 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCN2CCCCC2)CC1 1740819568 VAWJTVBYAYBQEP-UHFFFAOYSA-N 444.421 4.740 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1740826624 QURXPEQQOOOCQJ-FQEVSTJZSA-N 425.577 4.529 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CO)CC1 1740844190 WXPXJAJLYUQSBW-HXUWFJFHSA-N 426.605 4.846 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 1740859216 HYOSWUOVEBCPFB-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1740895353 YCHGAVHHGBZIMJ-IBGZPJMESA-N 432.515 4.800 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC(C)(C)c1ccccn1 1740938120 ZDHFQHDDQKKKKE-UHFFFAOYSA-N 442.567 4.849 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1Cc1nc2cc(Cl)ccc2s1 1740940373 DAKYRAXYRLBEGZ-UHFFFAOYSA-N 431.993 4.886 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2c(F)cccc2SC)C1 1740984081 VUBQVQSBTVMDLX-QGZVFWFLSA-N 444.601 4.621 30 10 IJEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N2CCCCCC2)nc1 1741538640 ARAUBNGBSLMOPN-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1748713056 OAUSDUNFFDRMLF-UHFFFAOYSA-N 432.528 4.775 30 10 IJEE C#CCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 1748745091 FGBMEWNIYFYAPR-HXUWFJFHSA-N 442.350 4.638 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccoc1C 1749140119 MJALJJNUZRATDI-GXRSIYKFSA-N 442.604 4.716 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@@H](O)C1 1749147489 JVUNCEPIUVOSSG-VQIMIIECSA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CCCN(C)C(=O)OC(C)(C)C 1749163528 MNSSCZLZTGYOHZ-UHFFFAOYSA-N 433.622 4.590 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 1749343479 LECUNYOTMVBVFZ-SFHVURJKSA-N 442.913 4.892 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(CC)cc1 1749545205 XNKYFKDNXQBWKJ-UHFFFAOYSA-N 449.624 4.573 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[C@@H]2C)C1 1749696153 AJOZPOVIRXVDFY-LWYYNNOASA-N 428.552 4.775 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCCCN2CCC)C1 1749699627 BXDKSQFBAJRIQH-ZEQRLZLVSA-N 437.632 4.553 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2c2cccs2)nnc1[C@@]1(OC(C)C)CCOC1 1749764010 PQVBUASIXWLHEY-PGRDOPGGSA-N 448.658 4.641 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)c1ncc(C)s1 1760110566 FCFZCKIHNAAXPM-HZPDHXFCSA-N 432.553 4.627 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN(C)C1CCCCC1 1760180022 UHTAQTKGWIJYTR-UHFFFAOYSA-N 446.064 4.948 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC#N)CC1 1760323261 CDXHXNBIMUERAM-RDGATRHJSA-N 449.599 4.585 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1760342884 PHFSFXQCCKWMTK-ROUUACIJSA-N 433.394 4.924 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(F)c1 1760345609 JKODHHCNRQGXKY-IBGZPJMESA-N 443.567 4.744 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(NC(C)C)CC1 1760368972 CYOVBRCUIOBLRA-UHFFFAOYSA-N 428.795 4.971 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)c2c(C)noc2C)CC1 1760399069 XRPXLCDCUNSRRQ-HNNXBMFYSA-N 436.516 4.664 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(C)C)C1 1760408364 ADJMIEMURVPGLC-JOCHJYFZSA-N 434.588 4.799 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(Nc2cccnn2)CC1)c1ccccc1 1760417219 YRDUIFRJXWARSP-NRFANRHFSA-N 431.588 4.632 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCSC1 1760424966 AKRGURRCZRJMQM-OALUTQOASA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCN(C)CC(F)(F)F 1760487570 YGWMXOUOAFPAPH-UHFFFAOYSA-N 429.556 4.615 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1760565222 QZGBMEXLCJBNKV-RTWAWAEBSA-N 427.618 4.520 30 10 IJEE C[C@@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1762722087 DUXKJJZNQOGJIY-ZHALLVOQSA-N 429.515 4.646 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCc1sc(C)nc1C 1768314162 FFPZASHCDRLPPV-CYBMUJFWSA-N 444.992 4.519 30 10 IJEE C=CCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2nc(-c3cccc4ccccc34)[nH]c2c1 1861423123 ARUXQGZSUIZMNG-AREMUKBSSA-N 426.520 4.584 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3F)[C@@H]2c2ccc(O)cc2)cc1 1862411659 MQAMKACAVAKXFX-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCCCCO)cc1 1862414972 MPENJNJSEGNZKE-JOCHJYFZSA-N 443.490 4.829 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(O)cc1 1862490025 MCNOFAWHDNPRFV-QHCPKHFHSA-N 437.536 4.794 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862494610 CYSZPWXAFPDQLX-QPPBQGQZSA-N 449.547 4.850 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862520085 ZSVUJOAVZCRYSD-UZUQRXQVSA-N 436.552 4.918 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)ccc1O 1862549306 MGMXGXDAHLEUMM-HSZRJFAPSA-N 435.520 4.514 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)ccc1O 1862550313 FPZJGMJYMPETRL-QHCPKHFHSA-N 435.520 4.656 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc2cc[nH]c2c1 1862572489 HBATZMREVIYFJK-RCDICMHDSA-N 434.492 4.562 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862590147 BVBLYBAHIJQNTM-XMMPIXPASA-N 427.500 4.776 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(CC)cc1 1862590360 HHIGEOPIRKBHIA-HSZRJFAPSA-N 437.536 4.740 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccs2)cc1 1862605108 LSVLWICZVHGGLL-JOCHJYFZSA-N 447.512 4.606 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1F 1862650953 HSPUPWKYYDQZRJ-QFIPXVFZSA-N 437.442 4.733 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862701430 DMFKZUGGPXWNIE-DEOSSOPVSA-N 438.483 4.955 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(Cl)cccc1Cl 1862760929 ZEOUVJZHRPMZOX-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 1862836415 NHNXWITVTWPFNI-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(Cc2ccncc2)C1=O 1863287599 CKISWNXRURKSGL-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCN1C(=O)C(NCc2ccc(OC(C)(C)C)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863683550 SSDUUAYRAFODSN-UHFFFAOYSA-N 448.563 4.708 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CCc2ccccc2OC)cc1 1870146615 AUBMLWBTUJPVDQ-UHFFFAOYSA-N 447.539 4.678 30 10 IJEE CCn1cc(OCCc2ccccc2)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870191726 QUBJWHKELDXQCT-UHFFFAOYSA-N 433.577 4.974 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1Cc1ccccn1 1870342841 HOTGUYYFKGWXOU-UHFFFAOYSA-N 435.955 4.698 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2cccc(OC)c2)cc1=O 1870836660 PFEPETUKWSPQBW-UHFFFAOYSA-N 438.572 4.784 30 10 IJEE COC(=O)c1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3)C4=O)C2)cc1 1871351516 SKMUMNXVVIJUCO-FMCGGJTJSA-N 441.483 4.750 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(Cl)cc2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871672425 HZQJJRRZJDXFFC-UHFFFAOYSA-N 434.975 4.520 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872028143 KDYRPNDLEQYXHS-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872130660 DLTTUGPROXAERL-NRFANRHFSA-N 444.597 4.542 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872266568 UZXDOBLCRPPMAZ-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 1872760196 IYOXMPGUPLBONT-JHTBKMLMSA-N 435.461 4.625 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2)cc2c(NCCCOC(C)C)ncnc21 1873628555 IBJZVHXJVFMPJS-UHFFFAOYSA-N 427.936 4.750 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874279072 RRMGACQDBWVFTG-FSJBWODESA-N 428.945 4.678 30 10 IJEE CCCCC1CCC(c2nnc(SCCO)n2/N=C/c2ccc(O)c(OCC)c2)CC1 1874287308 YDJPVUJBPZGALO-LFVJCYFKSA-N 446.617 4.813 30 10 IJEE COc1ccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)cc1 1874307073 DWMKOUKUDCJURN-ZXVVBBHZSA-N 443.576 4.684 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(F)cc1 1874487314 ABRJEADKENIOLV-DHRITJCHSA-N 439.560 4.846 30 10 IJEE C=CCSc1nnc(COC)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874502647 SCRNDVUEHRKEQF-YDZHTSKRSA-N 428.945 4.817 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2cccc(F)c2)c1 1874512100 WGJRYKVXAXMWOA-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cccc(Cl)c1 1874522335 OIUPDOVDJANWSG-FSJBWODESA-N 427.961 4.724 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874523840 KBNFTRUWVYOJQT-ZMOGYAJESA-N 428.533 4.950 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1OC(=O)c1ccc2c(c1)OCO2 1874709639 MDZYLDUKVZWCIM-FARCUNLSSA-N 438.382 4.817 30 10 IJEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1875088620 XQLJYLWVBPVFSB-SOFGYWHQSA-N 438.417 4.609 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1875116903 YPWKMVTURGGFIX-FZSIALSZSA-N 447.443 4.874 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC(=O)CCCSC)c(OC)c1 1875118712 KNFOPZALYNGJBB-VAWYXSNFSA-N 430.522 4.657 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1ccco1 1875151557 QCXPLQFEGOGCKL-VQHVLOKHSA-N 432.428 4.861 30 10 IJEE O=C(Nc1cccc(C(F)(F)F)c1F)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 1891151112 JQHKHDQGGHYYAK-NSHDSACASA-N 437.315 4.944 30 10 IJEE CN(CC#CCNC(=O)c1ccc(-c2nc3ccccc3s2)s1)Cc1ccccc1 1891609402 BAXZYMIWXXBYHY-UHFFFAOYSA-N 431.586 4.890 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[C@H](C#N)CC1 1895798082 BENSTZZGPDETCZ-MPCDZSKCSA-N 445.563 4.748 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)Cc1ccc(Cl)c(I)c1 1900397656 QVWFRINNUDDBLA-KRWDZBQOSA-N 446.716 4.780 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([C@@H](C)C#N)CC1 1901537120 MLWHKBGWKHLXLH-BVZFJXPGSA-N 445.563 4.702 30 10 IJEE C[C@]12CC[C@@H]3[C@H]4C[C@@H](/C=C/I)C(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O 1933253038 UFYNPOMBTQJCRS-WQKFFRGLSA-N 426.338 4.664 30 10 IJEE CN[C@H](CC#CC1CCCCC1)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1947471109 SROFKHWLDAAOPC-XMMPIXPASA-N 427.633 4.575 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(F)c1)[C@@]1(C#N)CC[C@@H]1NC(=O)OCc1ccccc1 1959029868 IALKECHLBLKJOD-GBXCKJPGSA-N 439.487 4.918 30 10 IJEE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(Br)c(C#N)cc1F 1963356153 JHWOOUCKECPLDL-ZDUSSCGKSA-N 426.330 4.543 30 10 IJEE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCC(C#N)CC1 1984691534 BENSTZZGPDETCZ-BRVOVERQSA-N 445.563 4.748 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC)C1CCC1 1989840980 VVYSMPJOWAIRCB-IHMJZKOGSA-N 444.575 4.858 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)cc1 2020316662 DRZHFLHJQSHEEZ-SFHVURJKSA-N 433.593 4.833 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1 2037375497 BDACJDNJJORBPJ-AZUAARDMSA-N 445.560 4.512 30 10 IJEE CCOc1cc(C=C2CSc3ccc(Cl)cc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 2040489825 QBRUSFCXRCFPAL-AWEZNQCLSA-N 445.968 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC12CCC2 2063292977 RWKUMMBGXZJIFF-MHECFPHRSA-N 449.592 4.618 30 10 IJEE CCc1nn([C@H](c2ccc(OC)c(C)c2)C(C)(C)C)c(I)c1C#N 2079932181 KRTWCAMGOWJTNA-QGZVFWFLSA-N 437.325 4.874 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1nc(C(C)C)[nH]c1Br 2087656249 XAYQTUSVNXURGT-ZIAGYGMSSA-N 429.403 4.806 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(Br)c1F 2089288653 JBBNXYCJYYERDE-WMLDXEAASA-N 431.321 4.685 30 10 IJEE CC1(C)OB(c2ccc(OCCN(CCC(F)(F)F)Cc3ccccc3)cc2)OC1(C)C 2095866244 HMPGQVRHVQBIEG-UHFFFAOYSA-N 449.322 4.819 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)C[C@@H]1c1ccccc1 2129043831 OLVDYRNZOIWKAA-LEWJYISDSA-N 444.425 4.709 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CNc1cc(Br)c(C#N)cc1F)C1CCC1 2137702863 RIMDZEIVZZXBPH-LJQANCHMSA-N 426.330 4.955 30 10 IJEE CC1(C)OB(c2cccc(CN3[C@H]4CCC[C@H]3CN(Cc3ccccc3)CC4)c2)OC1(C)C 2166725797 XDRMINHNKQIPFA-UIOOFZCWSA-N 446.444 4.615 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](N)C#Cc3ccccc3Br)CCCC[C@H]12 2235725343 WOOCRJMAIGJNGY-DXIQSLLYSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(c1ccccc1)[C@H](O)C#Cc1ccccc1Br 2235739197 GMVVDKAZUDOZRB-KNQAVFIVSA-N 430.342 4.602 30 10 IJEE C#CC[C@@H](C[C@H](N)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237415938 IDHCZAYONLUGCU-YSIASYRMSA-N 435.406 4.652 30 10 IJEE C=CCCC1([C@H](NCC)c2c(F)cncc2Br)CN(C(=O)OC(C)(C)C)C1 2281041276 MRGKNCRJWMKCOO-QGZVFWFLSA-N 442.373 4.837 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]12CC[C@@H](CN1C(=O)OC(C)(C)C)C2 2296272145 IOPIVOPYRZUDLG-LZNRXBQRSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2296284979 XBRKDCNUKWCLMY-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=Nc1cccc(O)c1 2297604762 JNFRWTHMLBAFLT-UHFFFAOYSA-N 425.535 4.561 30 10 IJEE O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccccc1 2297746677 YBVNZUFHNRNDAC-HXUWFJFHSA-N 434.835 4.875 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@H]3CC[C@@H]3NC(=O)OCc3ccccc3)nc2)OC1(C)C 2301449615 SQRMVSFDXNIADB-WDMDMOOOSA-N 449.360 4.596 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 2314479071 ZKYHFJGOZIPVGN-DEOSSOPVSA-N 433.548 4.999 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2-c2ccco2)c1OCc1ccccc1Cl 2321911927 ZGNLZXGWDKBVCU-UHFFFAOYSA-N 440.912 4.950 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)Cc3ccc(OC)cc3)ccc2C1=O 2322901517 FLZJNSFZTVNBPN-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CC(C)(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CCC4(CC3)OCCO4)C2=O)cc1 2324170063 ULDFMWQGUAASMT-UHFFFAOYSA-N 449.547 4.645 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)cc2)c1 2324383352 LUWHFRZHNYSRIR-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE COc1cccc(CCC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)c1 2325745718 UMRBWBUMKGKXRM-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE CCCOc1ccc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc1OC 2326269173 YUXPJCOUMGSWOX-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE CSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1cc(Cl)ccc1O 2326358255 BMKFLPAITSECCO-UHFFFAOYSA-N 430.961 4.870 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1ccccc1OC 2326473616 VPPFOFCERBTSPW-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1ccc(F)cc1 2326474947 JFRABOFKJAWZJL-UHFFFAOYSA-N 426.517 4.945 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1cc(C)ccc1O 2326828692 TZSYXMPCSZJQNF-UHFFFAOYSA-N 438.553 4.820 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3F)n2N=Cc2ccco2)cc1 2329725851 DZUJMRBTYAHWQY-UHFFFAOYSA-N 437.456 4.684 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3F)c(OC)c2)cc1OC 2330736109 UGUFEAYWSSNJDP-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(C)c3)cc2)c1 2330855587 FQORKEKMUIQQSB-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)cc1 2331081468 LECINRUGPVIYKX-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1F 2331451032 FHPMOUWTRZARRR-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1N=Cc1sccc1C 2331629934 HBSQMOFYKFNVOX-UHFFFAOYSA-N 427.599 4.830 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(C(C)(C)C)cc1 2331693770 AKNZFQKRRSUEIG-UHFFFAOYSA-N 442.614 4.769 30 10 IJEE C[C@H]1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339536507 LJHUMVDUXYRHBF-HKUYNNGSSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CC(CCCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339590652 PZJHIEGWNWHFDL-UHFFFAOYSA-N 444.381 4.752 30 10 IJEE COc1nc(Oc2ccc(OCc3ccccc3)cc2)ccc1B1OC(C)(C)C(C)(C)O1 2339826212 UWNCUOJRBVSTMI-UHFFFAOYSA-N 433.313 4.761 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C 2360197936 ZDSQGRHEUDBSAZ-VDGAXYAQSA-N 435.406 4.957 30 10 IJEE COC(=O)N1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C#N)C1 9446695 FZDBZAJYHSNVND-UHFFFAOYSA-N 431.926 4.865 30 10 IJEE CCCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C#N)cc1 14650023 YWQBLXVAKVZFOZ-UHFFFAOYSA-N 432.343 4.626 30 10 IJEE C=CCN1C[C@@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@@H]1C 22026807 LBLDMHBSVIVJPM-UZINWLIJSA-N 435.612 4.544 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N1CCSc2ccccc21 32785727 PVLROURZVZJAFK-QGZVFWFLSA-N 436.606 4.674 30 10 IJEE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823818 JCVFTEYLKPGPRI-MTDXEUNCSA-N 435.455 4.538 30 10 IJEE COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)COc1ccc(Cl)cc1 40844625 DTANRTCXDFJZSC-UHFFFAOYSA-N 448.858 4.796 30 10 IJEE Cc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1 59015637 WKPTUMAUJXBXEG-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE C=CCn1c(CNc2ccc(C)cc2)nnc1SCCC(=O)Nc1ccccc1OC 59265710 SKHUNDKURTZPRW-UHFFFAOYSA-N 437.569 4.514 30 10 IJEE COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 59303341 PSIGDFYPDKDJKG-ZMOGYAJESA-N 436.420 4.640 30 10 IJEE CCCOc1ccc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1Br 169913673 FKKHRAGDGGJUET-UUYOSTAYSA-N 449.349 4.730 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc(OC)c2)cc1 169928598 BOVKZCQAZKEVIK-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1OC 169940733 HNOBLPUFTPLAII-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(F)cc2)c1 170060703 NAQPXCQZNKKSLV-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(O)cc2)c1 170132289 XHZRHGRSSYHMPP-HSZRJFAPSA-N 445.471 4.668 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccc(O)cc1 170136691 PLCCPLMDULXVPG-IBGZPJMESA-N 444.325 4.842 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccs2)c1 170160547 PPNYQFISKAFHIJ-QGZVFWFLSA-N 426.519 4.618 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccncc2)cc1C 170205644 VTZFXGMOZZIVOQ-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@H]2c2ccco2)c1 170296578 MUVDRFIFWAFGTC-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)o2)c1 170297619 VKWYMBWFRCWIDQ-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1c1ccc(F)cc1 170314003 OTDYJQCLHUHJQU-IBGZPJMESA-N 437.448 4.707 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC)c2)cc1 170429784 VSXRLOHXPHUNHA-QHCPKHFHSA-N 446.503 4.917 30 10 IJEE COc1ccc(Nc2nc(NCc3ccco3)nc(NN=Cc3ccc(Cl)cc3)n2)cc1 252591859 BCGGDKRNZTWJQM-UHFFFAOYSA-N 449.902 4.928 30 10 IJEE Cc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2C)cc1C 252627199 ROSDVCHMGATMHX-KRWDZBQOSA-N 435.471 4.912 30 10 IJEE CCN[C@@H](C#Cc1ccccc1)c1cc(Br)ccc1I 313559917 GVKOWRMLFWMSMU-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460565830 IPZNSSMWCOTHSZ-MHZLTWQESA-N 441.579 4.543 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(C)oc2C)n1C[C@H]1CCCCO1 461840360 CAWGNCKOXBQAKR-JOCHJYFZSA-N 431.540 4.788 30 10 IJEE N#Cc1ccnc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)c1 477441333 HIQRNUQIOORHRD-UHFFFAOYSA-N 430.471 4.666 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)cc1OC 526487529 AOSBCWFVZWCZQC-XMMPIXPASA-N 441.487 4.808 30 10 IJEE CCOc1cc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526516526 OVQCQUGZSFCPLP-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1nc(-c3cccs3)n(-c3ccc(F)cc3)n1)CCCC2 537172968 QAYFHAHDGBTYRG-UHFFFAOYSA-N 444.495 4.533 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC(C(=O)OC(C)(C)C)CC1 555290320 AENNHPOAYTXLEL-UHFFFAOYSA-N 430.618 4.649 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 559025536 CDSFOTMKSBBVTH-NTKDMRAZSA-N 445.542 4.963 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@]2(CCCOC2)C1 584457581 NIRJWHXXFQGPGD-OAQYLSRUSA-N 431.378 4.681 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)c1 585954084 GSVSZMBXYIEMAA-BGYRXZFFSA-N 440.632 4.816 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(Cl)cn2)cc1 586256217 FYXMTUGXVAQYKW-UHFFFAOYSA-N 441.940 4.789 30 10 IJEE O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)N1CCN(c2ccc(F)cc2)CC1 612804273 HBHSPUTWHDQQJA-STQMWFEESA-N 441.391 4.567 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Br)c1 698497139 LDUAOEYOOMRYBY-HNNXBMFYSA-N 440.338 4.607 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ncc(Cc3cccc(OC)c3)s2)c1 733799448 NOQDDGFSZKFJDH-SFHVURJKSA-N 436.537 4.745 30 10 IJEE COc1cc([C@@H](C#N)NC(=O)/C=C(/C)c2ccccc2C(F)(F)F)cc(OC)c1OC 742060296 PQYIXJQSKDQSQW-HOFZKYPUSA-N 434.414 4.516 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CC3C[C@H]4CC2C[C@@H](C3)C4)c1=S 744160370 CRLIQRIPNLJWPM-BWHPTZRFSA-N 438.597 4.581 30 10 IJEE Cc1ccc(/C=C\C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cn1 754126775 JRFUHAMMDOGQMQ-ALCCZGGFSA-N 428.439 4.980 30 10 IJEE CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 759214330 UDOVMYXMBPIPSY-QGZVFWFLSA-N 447.516 4.669 30 10 IJEE C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@H](C)O[C@H](c3ccccc3)C2)c1=S 764913921 GPZHXWHDHMICRX-AVRDEDQJSA-N 436.581 4.695 30 10 IJEE 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4.564 30 10 IJEE COc1cc(F)ccc1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 1463527107 FUDSHAZJXDSDSP-ZDUSSCGKSA-N 445.356 4.825 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)N1CCCC1 1464253553 IBBKMIPASWNUFB-IBGZPJMESA-N 430.549 4.502 30 10 IJEE C=CCOc1cccnc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 1464945381 DBZYNNFAOXWNQO-FQEVSTJZSA-N 439.556 4.766 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1c(O)cccc1F)c1ccc2c(c1)OCCO2 1464954182 FDGSPNXZZXMGTG-UHFFFAOYSA-N 435.451 4.714 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1 1474930675 KNOOXJSTCYRDQZ-UHFFFAOYSA-N 435.932 4.846 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(-c3nc4ccc(OCC)cc4s3)cc2)CC1 1475894241 FYEQTDZIUCGRGK-UHFFFAOYSA-N 435.549 4.744 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2cnn(CC3CCC3)c2)cc1 1476082537 CCBLLIFLGNCUGJ-UHFFFAOYSA-N 431.496 4.677 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2cc(C(F)(F)F)ccc2Br)cc1 1476152353 LQFDSZFLUAMTLI-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2n1 1477121300 KLQPUSVSOVSWFX-UHFFFAOYSA-N 432.311 4.632 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 1477434394 MUCJETILUSSLPV-AZGAKELHSA-N 433.596 4.730 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C 1477913733 VFQLCFPHIXLNJR-UHFFFAOYSA-N 439.556 4.618 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCn1nc(C)cc1C 1507544618 YZILWFNJJCXDFC-NRFANRHFSA-N 448.615 4.650 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCO[C@@H]1CCCC[C@@H]1C 1507606627 SGRVCWXVRHKHHC-AZUAARDMSA-N 426.630 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1507765829 GBOQPPXDGMZIGS-SIKLNZKXSA-N 443.448 4.953 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)c(OC)c1Cl 1507818744 WRYHSYFLISHEHV-UHFFFAOYSA-N 429.952 4.589 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507918246 DKNIDEWCEKNFDD-VXKWHMMOSA-N 439.648 4.995 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@](C)(CC)C1 1507942004 LDICSDGZEDJOKY-SFHVURJKSA-N 425.396 4.741 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](CC)Oc2ccccc2F)C1 1508125223 ODPWUDDVCFQDNE-MOPGFXCFSA-N 430.568 4.645 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 1508167993 MFWJYOWKIKLUCP-QYZOEREBSA-N 449.665 4.894 30 10 IJEE CCCN(CCC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1514733027 CNRGLSHXJBWVEP-GOSISDBHSA-N 440.592 4.604 30 10 IJEE C=CCCC[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1520520544 LXYOYGKPAPHSMP-PBHICJAKSA-N 425.367 4.876 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(I)ccc2F)C(F)(F)F)cc1 1525856616 UYWQAKTUJVKJHR-OAHLLOKOSA-N 448.153 4.872 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(I)cc2F)C(F)(F)F)cc1 1532570419 RBUSWPBDDGGBAZ-HNNXBMFYSA-N 448.153 4.872 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)CC2(C)C)c1 1533710004 QZXWXOKTSCEVFT-KRWDZBQOSA-N 447.000 4.982 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCN2C2CCCCCC2)s1 1535611604 HDSYNMBZZGPJKF-KRWDZBQOSA-N 428.067 4.752 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1539075611 CAZMMFWTLOIBSV-SFHVURJKSA-N 448.521 4.796 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1sccc1C 1539399265 IZMTUNBQTGPHIP-UHFFFAOYSA-N 440.638 4.780 30 10 IJEE C#Cc1cncc(C(=O)N(CCOc2ccc3cc(Br)ccc3c2)C(C)C)c1 1539599145 YJCSLEMCTOFHGD-UHFFFAOYSA-N 437.337 4.908 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)OC(C)(C)C1 1539622386 FOBQCRJDJKTMEU-FTRWYGJKSA-N 448.970 4.723 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC1CCC1 1539623607 MXHZJEUWYFMOKE-UWJYYQICSA-N 430.980 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1cccc(F)c1)C(C)C 1539635482 GUVNUTWJMLTNLW-PXDATVDWSA-N 449.574 4.799 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC2CCCCC2)CC1 1539839899 GDPLNHLRDVWQKA-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(SCC)c1)C1CC1 1540101674 LCMFBSRYCSFCQB-UHFFFAOYSA-N 426.977 4.704 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1c(CC)nn(C)c1CC 1540119573 FGFZQCPRGKBAKF-UHFFFAOYSA-N 445.615 4.546 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C 1540180452 OFNYLGYVCWUJKH-YADHBBJMSA-N 440.657 4.939 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2csc(CCc3ccccc3)n2)o1 1542292612 BVDHMHNFQREPLU-KRWDZBQOSA-N 446.580 4.875 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)ccc2c1=O 1542691880 NUGXUMISMHOHLE-UHFFFAOYSA-N 443.528 4.594 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1543596624 HLASKWOEHDQOIS-NJYVYQBISA-N 446.599 4.975 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2ccccc2F)cs1 1556381979 PCQRPKHIHARSNU-QGZVFWFLSA-N 433.549 4.815 30 10 IJEE C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCC)CC[C@@H](C(C)(C)CC)C3 1559338910 OEVMAQQPANJCIW-OAHLLOKOSA-N 447.670 4.803 30 10 IJEE C=CCn1c(SCC(=O)NCCSc2ccc(C)cc2)nnc1-c1ccc(C)cc1 1559390800 CQDVKZZLXWEMPJ-UHFFFAOYSA-N 438.622 4.749 30 10 IJEE C=CCOc1ccc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1OC 1560324066 RKLRLBYEPMELJH-QFIPXVFZSA-N 445.003 4.855 30 10 IJEE CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CCN(Cc2ccccc2)C1 1562180457 DTNNQKMJNMPOFO-QHCPKHFHSA-N 441.535 4.874 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Oc3nc4ccccc4s3)c(Cl)c2)C1 1562623993 WFTDOEOCXYEXLV-INIZCTEOSA-N 440.956 4.961 30 10 IJEE Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)NCC1(C#N)CCC1 1564307885 BYFFVRIDRQYEKS-ZDUSSCGKSA-N 433.375 4.935 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)CCn3ccc4cc(Cl)ccc43)CC2)c(Cl)c1 1568262966 BNJVKXSCEWBKAQ-UHFFFAOYSA-N 427.335 4.559 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2c(C)nn([C@H](C)CC)c2C)[nH]n1)c1ccc(Cl)cc1F 1568898660 UFHNTRWCIKJGEA-XIKOKIGWSA-N 427.911 4.758 30 10 IJEE C=CC[C@]1(C(=O)N(C)C[C@@H](C)Cc2ccc(OC)cc2)CCCN1C(=O)OC(C)(C)C 1583923311 ZFKODBPZHVRKGU-UQBPGWFLSA-N 430.589 4.678 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(F)c(F)c1F 1587931779 DRZCUTJDTKDEPG-AWEZNQCLSA-N 444.526 4.861 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCCC1 1589150721 JNGRGDTWINQPDT-ATIYNZHBSA-N 435.616 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCCCSC 1589243110 UERPSSHJIHRLEP-XMMPIXPASA-N 426.630 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(F)c1 1589694761 TTXXELAGUXYXJV-PUZFROQSSA-N 443.567 4.639 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1593788890 FEUUEJIJBKCXED-UHFFFAOYSA-N 439.604 4.637 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C)(COC)CC1 1594473161 NLFNHSOUTXJDSB-UHFFFAOYSA-N 442.604 4.818 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2nccs2)C1 1594522268 ZXZDRMYKEKYQEN-HXUWFJFHSA-N 437.613 4.700 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1594698613 UBWIVUUJQILEIC-SFHVURJKSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CCCS1 1595132977 BCWQFGOIBJCFQT-XXBNENTESA-N 430.593 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1Cc1csc(CC)n1 1595155888 ARURCLCWZRXNBA-SFHVURJKSA-N 429.615 4.841 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC=CCC1 1595228473 DIUXIUSHMAIIAX-PMACEKPBSA-N 427.593 4.885 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1 1595845159 NFUULVAGAXJCNF-HXUWFJFHSA-N 446.418 4.757 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN[C@H](C)c3ccc(-n4cccn4)cc3)c2C#N)C1 1616737709 DNYGOLZWOIFMRL-IAGOWNOFSA-N 433.581 4.610 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC)c1ccccc1 1623132038 RVHIIJJMKAFAEN-IBGZPJMESA-N 445.585 4.601 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CCCN1C(=O)OC(C)(C)C 1625348184 GYIFWPWCSFVHNF-RUZDIDTESA-N 435.524 4.951 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(Cl)cc2NCC(F)(F)F)cc(OC)c1OC 1627087924 IRDREYBJYLFUDF-UHFFFAOYSA-N 442.865 4.990 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1628844367 LFMRMGXDCFFXLR-IRLDBZIGSA-N 439.650 4.767 30 10 IJEE C#CC[C@]1(C(=O)NCC2(c3cccc(F)c3)CCCCC2)CCCN1C(=O)OC(C)(C)C 1630976713 BJURHKXFUQFVOF-AREMUKBSSA-N 442.575 4.937 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC[C@@H]2C(C)C)c(F)c1 1631931774 WASFZSJSUXTFIQ-WOJBJXKFSA-N 431.552 4.696 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 1633423802 FEHJVEOHPKNPFM-DHIUTWEWSA-N 448.567 4.865 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 1641583177 QXOOVPVOYDHFJW-HSZRJFAPSA-N 429.520 4.688 30 10 IJEE C=CCn1c(SCC(=O)c2ccc(O)cc2)nc2sc(-c3ccccc3)cc2c1=O 1643604492 GSMQYOQESSKKTG-UHFFFAOYSA-N 434.542 4.992 30 10 IJEE C[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)Sc1ccc(Br)cc1 1649111748 BZZHRWAJUFBSNA-OAHLLOKOSA-N 441.398 4.992 30 10 IJEE CO[C@@H](c1ccc(Br)cc1)[C@@H](C)Nc1ncc(Br)cc1C#N 1650915440 DNKWUWPATVFEDP-MEBBXXQBSA-N 425.124 4.666 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN(c2nc3cccc(F)c3s2)CC1 1651677951 HZKSFXNNFQLMQY-QGZVFWFLSA-N 431.334 4.585 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2cc(Br)cc(F)c2C1 1653040742 HHVCFRPATSPZRE-CQSZACIVSA-N 437.378 4.611 30 10 IJEE CCCN(C(=O)c1cccs1)C1CCN(c2c(Br)cccc2C#N)CC1 1655250146 IDYDLRGRQAGBRP-UHFFFAOYSA-N 432.387 4.903 30 10 IJEE COc1ccccc1[C@H]1CC[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1655288984 HXMUHYJLEAFBLU-IFXJQAMLSA-N 438.471 4.748 30 10 IJEE C=CCOCCSc1nnc2n(-c3ccc([C@H](C)CC)cc3)c(=O)c3ccccc3n12 1656104777 RRKGMDKEEYWYOU-QGZVFWFLSA-N 434.565 4.842 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1sc(C)cc1Br 1657697510 DPMQJBDPFPIRJH-UHFFFAOYSA-N 429.177 4.883 30 10 IJEE CCOc1cccc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)c1 1657984668 FVZAMFSWBZWMHK-QGZVFWFLSA-N 434.515 4.793 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(NC(=O)CCC)c1C)c1ccc(Br)cc1 1658587516 ZPQOBMLEAXKIBN-QGZVFWFLSA-N 428.330 4.992 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)NC[C@](O)(c3ccccc3)C(F)(F)F)cc2)c1 1659179914 DNMLWVFLRKLFTK-QFIPXVFZSA-N 441.409 4.922 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c(C)c1F 1660949745 AYJZGPYICBCXEC-UHFFFAOYSA-N 442.487 4.545 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 1665115527 HSGXQSYNGIOQTJ-HNNXBMFYSA-N 435.839 4.681 30 10 IJEE COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2ccccc2CC#N)c1 1668230188 CULFNOWSIVOBGQ-ZCYQVOJMSA-N 432.545 4.681 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1671770665 HXZSPJRQSGUJCE-QFIPXVFZSA-N 436.508 4.715 30 10 IJEE Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)c1 1673265135 BQHFQLSTOURUBH-UHFFFAOYSA-N 427.508 4.717 30 10 IJEE C#C[C@H](NC(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 1674021293 XHLTWYNPFCATAK-INIZCTEOSA-N 425.838 4.585 30 10 IJEE CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1680142709 FEPUNGRLYYHZIG-OAQYLSRUSA-N 430.593 4.809 30 10 IJEE C#CC[C@H](NC(=O)NCc1ccc(Br)c(Br)c1)c1ccccc1 1680514624 AOLQJBBYLOYETJ-KRWDZBQOSA-N 436.147 4.775 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1 1682246622 MOFIFXWUJXQNEP-UHFFFAOYSA-N 445.357 4.767 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1ccc(OCC)cc1 1685541383 FCNHDJHWQKIOFT-UHFFFAOYSA-N 435.337 4.927 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](O)COc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1685817544 QQKSBDCAHWEKGV-QUCCMNQESA-N 440.437 4.591 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccc1C(F)(F)F 1689840404 YVFUXUKDYXKFBR-CQSZACIVSA-N 433.865 4.713 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](COCC)C1 1689881669 YNXIOBNQHCQTOH-INIZCTEOSA-N 449.368 4.513 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)c1nccs1 1690059221 LQZAATYRPCDHHR-JKSUJKDBSA-N 429.977 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1CC1(c2ccccn2)CCC1 1690268310 GDQCTYMHFYZRNA-UHFFFAOYSA-N 431.584 4.797 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cscn1 1690335627 CUACFPBUWZQNSA-UHFFFAOYSA-N 442.745 4.692 30 10 IJEE C=CCCCCn1c(N(C)Cc2cc3c(cc2OC(F)F)OCO3)nnc1C(C)(C)C 1690467661 DYMJBZDFZVRBKB-UHFFFAOYSA-N 436.503 4.898 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCc1sc(C)nc1C)C1CC1 1690546827 LFYQQYUVBUYVIU-UHFFFAOYSA-N 428.005 4.993 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(CC(C)C)C1 1690567913 UMOSMPYHSKNWKG-BJKOFHAPSA-N 437.632 4.690 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](CC(C)C)C1 1690683582 ONPPDYCAMJPOSZ-NRFANRHFSA-N 431.584 4.749 30 10 IJEE CCC(CC)(Cn1c(C(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1)SC 1694264609 DYMVRJQLUUUSHZ-UHFFFAOYSA-N 440.661 4.912 30 10 IJEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC2CC2)cc1Br 1697367984 GESSTEISMUFILW-OAQYLSRUSA-N 444.377 4.646 30 10 IJEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCC(C)C)CC1 1698322978 GFNWHEHJFGYYHB-UHFFFAOYSA-N 441.645 4.990 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1nccs1 1705527551 BJPMDJPCSIXARY-UHFFFAOYSA-N 433.537 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCCSCC 1705671041 TUYKVKPNGXGFEV-XMMPIXPASA-N 442.629 4.876 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCc1nc(C(C)(C)C)cs1 1705673978 UTVVDXHHOKMPSM-RUZDIDTESA-N 449.624 4.943 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1705732433 ZBROCOLVJGXVCV-HXUWFJFHSA-N 438.616 4.841 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@@H](OC)C(F)(F)F)CC1 1705765310 GLSSYCQWGVYVLT-QGZVFWFLSA-N 444.885 4.731 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@@H]1C)c1ccccc1 1705798502 SZLKPSYAEFPROJ-KZKAQZJJSA-N 438.616 4.782 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)c1c(C)noc1C 1705838491 QWPWLVOVHDXRNX-LBPRGKRZSA-N 448.340 4.877 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](CCC)OC)C1CC1 1705851765 QZCUBAFYGIHGLQ-MRXNPFEDSA-N 437.357 4.817 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1705913064 CNHYKSQOYHEMSB-NFBKMPQASA-N 431.584 4.892 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1Cc1cccc(C(F)(F)F)n1 1711072624 GPMKDHSWZOCUHO-UHFFFAOYSA-N 426.446 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(CCOC)CCCCC1 1722292524 WFIMALYLEMYFMU-IBGZPJMESA-N 429.008 4.967 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)c1ncc(C)s1 1722375996 SWXIFCJFICIUJI-AWEZNQCLSA-N 444.391 4.893 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1722399645 XTNRUXHZFTVGDT-RSXGOPAZSA-N 446.639 4.758 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@H]1C(C)C 1722404136 RNCMQNSEKVGXLH-YKSBVNFPSA-N 448.567 4.638 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCC(F)(F)CC1 1722501952 QMONJIMCHSZBJR-OAQYLSRUSA-N 426.552 4.547 30 10 IJEE C=C(Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCCCOC)CC1)c1ccccc1 1722539296 LMIAKTJMTKHXIV-UHFFFAOYSA-N 436.556 4.582 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1722567782 KRXOQRFRJRAMOM-UHFFFAOYSA-N 431.584 4.954 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)c1ccccc1 1722593919 CKKDXBZYAXKGIH-FJIJXJHWSA-N 448.615 4.946 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CC)C1)c1ccccc1 1722593985 DGDYWFOTWDCFAX-PZJWPPBQSA-N 430.556 4.522 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)c1ccco1 1722601026 UHFFYFHYHSZCER-SFHVURJKSA-N 446.555 4.822 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC2(CCOCC2)C1 1722624603 DDVNQHJJZXIAKU-UHFFFAOYSA-N 448.970 4.727 30 10 IJEE C=CCCOCCn1c(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nnc1C(C)(C)C 1722626705 HNCDDVDWUIAASM-QGZVFWFLSA-N 447.649 4.500 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cnc(C)s1 1722678980 JYERRUOQYALFER-UHFFFAOYSA-N 443.642 4.728 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740543863 XUMNUOACBMQTSZ-SZMVWBNQSA-N 448.489 4.543 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCC[C@@H]1C 1740688067 LQJHWABPEZQUPS-SFTDATJTSA-N 438.616 4.677 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740756679 QOEBSESTUKJOAI-YADHBBJMSA-N 438.616 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H](C)c1ccco1 1740758766 BSWJOIPFRXNNPO-FPGHNAPASA-N 436.556 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1740849676 SHVWPZAEDDKKHV-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1740851030 OTOXKBKFVOIQJT-IBGZPJMESA-N 443.586 4.814 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)O[C@H](C)C1 1740860204 XGJRWHSHMNHJAZ-HZPDHXFCSA-N 449.393 4.686 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC[C@H]1OC 1740894532 XHIPRAALAKRDSK-SUMWQHHRSA-N 439.785 4.798 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@@H](C)C1 1740914137 MMLDBYICLBHTQC-OFNKIYASSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCSC(F)(F)F 1740918339 OGKZOMPCHNQUMY-QGZVFWFLSA-N 426.508 4.965 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1Cc1cccnc1OC 1740920287 LHTNDICRBIUSLH-UHFFFAOYSA-N 435.547 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1cccs1)N(C)C 1740928432 HMKGKMLHQKFMMM-KRWDZBQOSA-N 428.993 4.536 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCCCC1 1740935491 NNKOKZZATGULDA-HSZRJFAPSA-N 438.616 4.757 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1741003990 LLFSODGTGPPAED-SFHVURJKSA-N 443.617 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1cccs1)N1CCCC1 1748649700 SCCTWLAJRBXDQH-XLIONFOSSA-N 440.016 4.955 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CC(C)C 1749083349 DYADLHPQAYAXSD-UHFFFAOYSA-N 434.382 4.538 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC=CO1 1749148706 CQCYYLYKWMNKQQ-INIZCTEOSA-N 435.341 4.942 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1749195294 IXGPRWPUJVNJFV-QRWLVFNGSA-N 430.524 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(COC)CCC2)CC1 1749336036 WZHNKYICNQMLPG-UHFFFAOYSA-N 430.980 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1749371096 YKZOECOCAIDXIL-HSZRJFAPSA-N 431.584 4.662 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCCc1nc2c(s1)CCCC2 1749528559 VCRVFYIGAGZALL-UHFFFAOYSA-N 437.613 4.756 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CC1(N2CCSCC2)CCCCC1 1749542095 ZIXRDBLEILRTBN-UHFFFAOYSA-N 443.636 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1749552461 CJRXVPIZNMQOGI-KCZVDYSFSA-N 443.661 4.752 30 10 IJEE COCCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1749595977 ACLIOASOLUNEKW-QHCPKHFHSA-N 445.995 4.703 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCCCC1 1760099278 DPYZXBLKGNXKTO-LJQANCHMSA-N 448.640 4.711 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1cccc(C)c1 1760197415 WNPYGSVVJKHJEZ-UHFFFAOYSA-N 444.604 4.736 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1760378166 AQOLMFMSMLQVHL-NHCUHLMSSA-N 445.007 4.869 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](CC)OC)CC1 1760399149 AYPXATGFEJXGRH-KRWDZBQOSA-N 449.393 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCN1CC 1760494265 LGOZVSTXKHUNHC-NRFANRHFSA-N 432.572 4.653 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)c1c(C)noc1C 1760504558 UDIULBKOJNTDDT-AWEZNQCLSA-N 447.942 4.785 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CN(C)CCCC)CC1 1760507798 GHHLYFCTLUCYOQ-UHFFFAOYSA-N 432.012 4.741 30 10 IJEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)CCOCC1 1762518741 FMWGKROOVPXUAM-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4cccs4)n3)c2)C1 1772724392 WXLWNIPBDAYCCL-HNNXBMFYSA-N 446.623 4.738 30 10 IJEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)Nc1ccc(Cc2ccncc2)cc1 1860731477 RLJUBCXATJHZNC-XBXARRHUSA-N 439.284 4.795 30 10 IJEE N#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3[nH]2)cc1 1860914517 PXKWXHHUGRZIPT-VWLOTQADSA-N 447.498 4.501 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1 1862385196 JTCRZVCPJOFTCW-BMLIUANNSA-N 440.710 4.606 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 1862397544 RLCFTOYAKQLNNT-JOCHJYFZSA-N 435.520 4.803 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C(=O)OC)cc1 1862434594 CHMKXEIPIAAGRO-FQEVSTJZSA-N 441.911 4.895 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862518912 XDGAKRHJAVNUTR-NRFANRHFSA-N 438.480 4.618 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3cc[nH]c3c2)cc1OC 1862572343 COXFKWKSHHQSDE-QHCPKHFHSA-N 448.519 4.810 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862583248 WMULGWXAINQRCU-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(Cl)c1 1862725151 BZACQODZCPGPKW-MWTRTKDXSA-N 447.918 4.966 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(F)cc2)cc1 1862735110 BWIOPBIZAOIANQ-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1862735368 JCMRZHBBFROMCZ-JOCHJYFZSA-N 446.434 4.555 30 10 IJEE CC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866779505 FNRXYUPWXIXEJA-DNQXCXABSA-N 447.485 4.892 30 10 IJEE N#Cc1ccc(COc2cn(C[C@@H]3CCCO3)c(CNc3cccc(Cl)c3)cc2=O)cc1 1871252162 NLAFXNUOZWMKJK-QHCPKHFHSA-N 449.938 4.743 30 10 IJEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C3=O 1871346753 VJPRIGZQWKXIQS-JAIQZWGSSA-N 439.508 4.671 30 10 IJEE COC(=O)c1ccc(CN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)cc1 1871351538 ZRLFYJXEGDBWPT-JJFYIABZSA-N 445.471 4.651 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)nc(Nc2ccc(C)cc2)[nH]1 1871476581 WNORTXVJZQRBRR-UHFFFAOYSA-N 428.584 4.959 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1C)c1ccccc1)S(=O)(=O)c1cccs1 1872423670 YNCHLAKWLIIMKX-OAQYLSRUSA-N 426.563 4.613 30 10 IJEE C=CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873167341 BVDDYBVYSYYFRX-UHFFFAOYSA-N 445.950 4.803 30 10 IJEE Cn1ncc(N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c(Cl)c1=O 1873526180 RFVOKMLJBXBTJI-RPPGKUMJSA-N 436.874 4.751 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2/N=C/c2ccc(F)cc2)c(C(C)(C)C)c1 1874203531 GMCNWHXTNAPTOW-AFUMVMLFSA-N 442.560 4.569 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874291406 SKWJEVGOHJUKKS-MFKUBSTISA-N 446.532 4.746 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3cccs3)n2/N=C/c2ccc[nH]2)cc1 1874370295 RBJQFDVEZUCYOZ-LPYMAVHISA-N 438.538 4.536 30 10 IJEE COc1cccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SCc2ccccc2)c1O 1874379639 DEJSIIBAXZIWCI-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccc(O)cc1 1874475136 LEBLHIFXTHQUNT-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3F)nnc2C(C)(C)C)cc1 1874480980 JQSYQWHBMVZVTJ-ZMOGYAJESA-N 425.533 4.636 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874510248 IZNPOKMQWDGTNA-SRZZPIQSSA-N 431.905 4.672 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875119514 YPLPHLPQFWIYRH-CTDFXDFQSA-N 430.884 4.728 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC(=O)[C@@H]1CCCO1 1875186197 IXNLNOBOTGNYGU-JLXBBBJOSA-N 430.884 4.728 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C)([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880109568 CGZBLRVRBVOFAZ-YADARESESA-N 429.561 4.963 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880123408 XMOQYONJPJIWMV-UXHICEINSA-N 429.561 4.963 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3nc(C(C)C)n4c3CCCC4)cc21 1890390772 LDWDISJRBMQBIN-UHFFFAOYSA-N 436.556 4.533 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C)cc(Br)c3)ccc21 1890561726 REYGVRGTGWXCQT-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CC(C)(S)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C(=O)O)no1 1952321743 OGQFRGPTDBTORA-HXUWFJFHSA-N 438.505 4.661 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2001296371 WVOICUZCSBXYAS-VXKWHMMOSA-N 432.605 4.542 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NC 2047967660 LCBNKCRUGNUJKD-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE Cc1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1I 2079174613 PCWAEPPEDOEYFC-UHFFFAOYSA-N 438.084 4.962 30 10 IJEE CNCc1nn(Cc2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079236201 PTRIACPZQVPUGS-UHFFFAOYSA-N 434.153 4.590 30 10 IJEE N#Cc1c(C2CCOCC2)nn(Cc2c(F)cccc2C(F)(F)F)c1Br 2080338516 JRSBEZYPVCEPRX-UHFFFAOYSA-N 432.215 4.617 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3cc(Cl)cc(Br)c3)CC2)OC1(C)C 2094087190 WCDOYNIASDWPKR-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 2145528333 IGDYENWJJBWLBK-PMACEKPBSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1ccc(Br)cc1C#N 2162302930 RKVPSYHEWMUMIH-RTBURBONSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(C#N)cc2Br)CC[C@H]1C(F)(F)F 2174811674 AZIQNIJTNOROOS-OCCSQVGLSA-N 448.283 4.603 30 10 IJEE C[C@@H](CCC[C@@H](C)C(=O)Nc1ccc(C#N)c(Br)c1)NC(=O)OC(C)(C)C 2181048216 RGXPXASOOUXMRU-KGLIPLIRSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C#N)(C[C@H]1CC1(Br)Br)C2 2210246680 VTBCVOITWJQECW-AVGNSLFASA-N 448.199 4.954 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 2235715622 BRTUMUYVIQBLNU-YVWKXTFCSA-N 435.406 4.720 30 10 IJEE CN[C@@H](CC#CC(C)(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237415286 QZBCKJJIMPDQOX-RBUKOAKNSA-N 437.422 4.913 30 10 IJEE C#CC[C@@H](C)C[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237480892 XHBIRLHILUGNIZ-UXPWSPDFSA-N 437.422 4.913 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)C1(C#N)CCC(C)(NC(=O)OCc2ccccc2)CC1 2241905978 PMVIAOYLWQCAKB-UHFFFAOYSA-N 427.545 4.931 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3CCCC3)cs2)OC1(C)C 2247925531 DGKMXLSABFWYTR-UHFFFAOYSA-N 425.403 4.880 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2261821639 WLFYILKYKBVEEK-NBGIEHNGSA-N 447.572 4.560 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CC3)c(C(F)(F)F)c2)OC1(C)C 2267003413 ORWWIFPKNMEDLG-UHFFFAOYSA-N 445.290 4.809 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCC 2274027522 FBCZVRRBSGDSLF-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C=C([C@H](NCC)[C@](C)(O)c1cc(Br)c(Br)s1)C(F)(F)F 2281278781 FLVXKUYQOXTTCU-GXSJLCMTSA-N 437.119 4.577 30 10 IJEE CC1(C)OB(c2ccc3nccc(N4CC[C@H](COCc5ccccc5)C4)c3c2)OC1(C)C 2285398362 QHPWPDRGNDLFSH-NRFANRHFSA-N 444.384 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)C#Cc2cccc(Br)c2)CC1 2296221815 MATFILDFMXQTLA-UHFFFAOYSA-N 442.300 4.652 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2296271646 GWDRJARUZFQYQM-OALUTQOASA-N 437.422 4.964 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@@H](C)N1C(=O)OC(C)(C)C 2296289040 NPPHTRVXFQGZHP-NSISKUIASA-N 435.406 4.957 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2296303466 WOVCIOBEOXTPLZ-DLBZAZTESA-N 445.348 4.717 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1CC 2296307648 XEWNSPMKGJUGON-SFGWALBWSA-N 435.406 4.862 30 10 IJEE COc1ccc(CCN=Cc2ccc(Oc3nccc(C(F)(F)F)n3)cc2)cc1OC 2297562365 FNEISJGMBWMEQG-UHFFFAOYSA-N 431.414 4.967 30 10 IJEE O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c2OC(=Cc2cc(F)c(F)c(F)c2)C3=O)O1 2297578728 FIYBMFOOTSNOBW-HNNXBMFYSA-N 438.357 4.867 30 10 IJEE CCCN1COc2ccc3c(c2C1)OC(=Cc1cc(Br)ccc1OC)C3=O 2322044874 SPSHKEDGHXJXNQ-UHFFFAOYSA-N 430.298 4.636 30 10 IJEE C=CCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2323197084 KLCYIGICIGIFGY-QHCPKHFHSA-N 440.971 4.909 30 10 IJEE CCOc1c(OC)cc(C=NNc2nc(-c3ccc(OC)cc3)cs2)cc1[N+](=O)[O-] 2323866177 ZFCMPSXZJDMWSH-UHFFFAOYSA-N 428.470 4.580 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccccc2O)cc1 2325474523 OSWMVZKSNIKIJQ-UHFFFAOYSA-N 445.504 4.657 30 10 IJEE CCOc1cc(C=CC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC 2325631618 MFXYYLGCWXRJEC-UHFFFAOYSA-N 427.806 4.987 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccccc1C(=O)O 2328895858 XARPYCNUIPJVMS-UHFFFAOYSA-N 436.537 4.723 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cccc(OC)c1OCCC 2329847265 MDTDRJRTUYOECY-UHFFFAOYSA-N 440.544 4.966 30 10 IJEE OCCCSc1nnc(COc2ccccc2)n1N=Cc1c(Cl)cccc1Cl 2329922958 DUJBWVHMCXXLEY-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE CC(=NO)c1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 2329943655 QZRLDFYZDBOGDY-SNVBAGLBSA-N 445.781 4.871 30 10 IJEE Fc1cc(Br)ccc1C=NNC(=S)NCc1cccc(C(F)(F)F)c1 2330472222 PXTNOWFLUNZAOL-UHFFFAOYSA-N 434.256 4.605 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccncc2)c1C 2330632345 HGGAKORFIXQQCK-UHFFFAOYSA-N 442.548 4.570 30 10 IJEE C=CCSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(OCCCCC)c(OC)c1 2330975513 RRAPHSODRZYRQC-LJQANCHMSA-N 430.574 4.868 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2OC)cc(Cl)c1OC(=O)c1cnccn1 2331070854 TXKKSWOXSKPCEX-UHFFFAOYSA-N 438.867 4.653 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccc(OC)c1 2331084440 ZTNJKOWOVYIQGW-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)c1 2331381072 FNBYKBPJWLYTGR-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587900 AKFQUUONQCVICC-SFHVURJKSA-N 444.381 4.751 30 10 IJEE CC1(C)OB(c2ccc(COc3cccc(F)c3F)cc2Br)OC1(C)C 2377326777 LUWFKBQPNROCCI-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CCOc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c1)C2=O 8823812 CAJYMKCBVMULTP-UUYOSTAYSA-N 431.400 4.829 30 10 IJEE Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCc3ccccc3C#N)nnc12 18961521 MSUYINCQGZLCQZ-UHFFFAOYSA-N 437.528 4.814 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2cc(C)cc(C)c2)c(C)n1 32973005 JZNUHNQOYPRBIM-UHFFFAOYSA-N 446.599 4.682 30 10 IJEE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814732 NBLIOLGFRXUCKH-NHFJDJAPSA-N 432.480 4.621 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3F)n2)cc1 59014957 AFAOPVYHTUMGKQ-XMTZNVEYSA-N 426.521 4.634 30 10 IJEE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/Nc3ccc(Br)cc3)cc2)cc1 59159072 YYYYMPKFJQOYPC-HYARGMPZSA-N 445.338 4.971 30 10 IJEE O=C(NCC#CCOc1cccc(Br)c1)C1c2ccccc2Oc2ccccc21 90731245 BONJOCHWXSCGHC-UHFFFAOYSA-N 448.316 4.885 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 103091438 DNLDFYXATMFMGW-HQMFNGAOSA-N 449.488 4.603 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1 170059460 HBQPBHCHGWGRFP-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2F)c1 170069032 RXWYTFSDJKMTJO-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@H]2c2cccc(O)c2)c1 170078932 WTGINLRVVDUVJI-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2c2ccccc2)c1 170118087 BEZZUAFRHDYJCB-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143447 WXLGJUPZYLZHAJ-LADGPHEKSA-N 449.547 4.787 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 170144701 SSEGUDPFYYKEJD-XMMPIXPASA-N 442.515 4.956 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)ccc1Cl 170231137 UZBPEEHHAHQHIC-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)ccc1Cl 170231139 UZBPEEHHAHQHIC-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 170238248 GBBKWKPKJDIDIA-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)cc1C 170242123 AHKYKUYBLRSBKK-QHCPKHFHSA-N 446.478 4.625 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1cn(C)c2ccccc12 170269154 OZPQTJQPRKCVON-HSZRJFAPSA-N 432.520 4.955 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(C)o2)c(C)c1 170305734 HTGHLUXLMAMKQQ-NRFANRHFSA-N 439.414 4.966 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccncc1)c1cccs1 170356702 REQYIXJNRHLIMM-QGZVFWFLSA-N 446.406 4.825 30 10 IJEE N#C[C@H](c1cccc(I)c1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 309999920 DMJDOFSKUNTKRI-PKOBYXMFSA-N 446.288 4.557 30 10 IJEE CN(C(=O)c1cccc(OCc2ccccc2)c1)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 404955810 XIJNIMRTBYRVTJ-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE N#Cc1ccc(NC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)cc1Cl 437537032 OFJWBFHVAJDCBT-QGZVFWFLSA-N 429.908 4.817 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 485511978 DRNZNVPXLQVQGQ-SFHVURJKSA-N 438.597 4.836 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)n(-c4nc(C)cc(C)n4)n3)n2)cc1 490721383 SSJCMNYOAMFIAA-SFHVURJKSA-N 428.521 4.510 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 509014127 WTKOVCBNSUESRX-SSEXGKCCSA-N 434.487 4.524 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccc(C)cc2)c2ccc(OC)cc2)cc1 513216724 AHLSXPNKWOUCRK-XMMPIXPASA-N 429.520 4.831 30 10 IJEE CC(=O)Oc1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526521132 KWAMKMJBZHQHNC-HSZRJFAPSA-N 428.419 4.680 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@]2(C1)OCc1ccccc12 549676256 JBINAHITYWBVIU-HHHXNRCGSA-N 439.563 4.952 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(OCC(C)C)CC1 555267564 ANIFJLUJQSJTBP-UHFFFAOYSA-N 439.423 4.987 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 559003892 HFLQIBTZTXXARE-KRWDZBQOSA-N 429.996 4.552 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 585955548 RINYZVLTVQJQNQ-UHFFFAOYSA-N 448.611 4.970 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)cc1F 698380448 YSKSCOJAEDCNLD-KRWDZBQOSA-N 428.346 4.732 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C[C@H]2C1 698867980 PAAFJGBMJKTXBN-AVYPCKFXSA-N 447.498 4.715 30 10 IJEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731482878 AWRNXBGMQRPXLG-QKKBWIMNSA-N 444.000 4.534 30 10 IJEE CCOc1cccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC)c1 743735075 CRVNFOVEWQBYJT-GOSISDBHSA-N 431.945 4.719 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCO[C@H](c3ccc(F)c(C)c3)C2)c1=S 763334396 WKIDEGVWMFABSX-NRFANRHFSA-N 439.560 4.531 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 780682368 URCYGCMYRRQAIK-NVXWUHKLSA-N 435.459 4.578 30 10 IJEE Cc1nc(NCC(=O)OCc2ccc(C#N)c(F)c2)c2cc(-c3ccccc3)sc2n1 791421016 YZPBMSJYUVWUMF-UHFFFAOYSA-N 432.480 4.833 30 10 IJEE COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc(C#N)c(SC)nc2O)cc1F 1120771336 POYLUUCODVQGOX-UHFFFAOYSA-N 439.468 4.882 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc3c(Cl)c(C)cnc23)CCCN1C(=O)OC(C)(C)C 1131820396 HXPOYPBJINRYQN-QHCPKHFHSA-N 427.932 4.928 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)s1 1132849855 XGPFYRDZFVHNHG-CQSZACIVSA-N 431.023 4.561 30 10 IJEE C=C[C@@H](CC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12)c1ccccc1 1133673924 PKLCOEBNDKUJIN-AWEZNQCLSA-N 442.313 4.572 30 10 IJEE COc1ccccc1[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 1136728421 ALRKUZVZLLUQEU-SANMLTNESA-N 427.504 4.581 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 1137688127 ILSZJEJNVHBJSV-PMACEKPBSA-N 432.536 4.639 30 10 IJEE C[C@@H](c1ccccc1F)[C@H](O)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1141718729 HVLXGOCWQOWMEQ-QFYYESIMSA-N 439.327 4.889 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 1144404365 ZLJQRNLSAGFAPB-HOTGVXAUSA-N 426.344 4.924 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2s1)C(=O)OC 1155476192 XCWBDJIAIINLIO-INIZCTEOSA-N 432.542 4.876 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2OC)cc1 1166684409 SEDCDGSPHGVTDC-HXUWFJFHSA-N 430.342 4.929 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)c1 1192556930 JMLZHFRFOZGYHD-BDYUSTAISA-N 437.543 4.767 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cscc2Br)c1 1209212606 CMRGNRVMSWOHIR-UHFFFAOYSA-N 432.364 4.887 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 1214911601 BVSFMSZTFUDPEZ-DEOSSOPVSA-N 445.519 4.780 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)CC1 1224085730 HJVMUJDITZCQQY-RUZDIDTESA-N 442.538 4.903 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1)c1ccc(F)c(F)c1 1234555264 JBUVUUPYCHNSRQ-QFIPXVFZSA-N 449.929 4.771 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1251588988 ROJYIPQIXRMMRO-IBGZPJMESA-N 433.568 4.951 30 10 IJEE C=CCN(CC(=O)OCC)C(=O)c1oc2ccccc2c1COc1ccccc1Cl 1264829500 XBHXWNBAMDMEQK-UHFFFAOYSA-N 427.884 4.857 30 10 IJEE C=CCOc1ccc(CN(C(=O)COc2ccc(Br)cn2)C(C)(C)C)cc1 1269611541 FLTNVVWHVYPRRG-UHFFFAOYSA-N 433.346 4.615 30 10 IJEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1 1280389366 AYUXLQOAYXELIQ-QHCPKHFHSA-N 445.906 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1ccsc1)N(CC)CC 1286279824 QFFBTNYCIAJRMY-GCJKJVERSA-N 437.613 4.556 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCOCC2(CC2)C1 1286336727 OESYLIAQNVTWDP-UHFFFAOYSA-N 436.600 4.709 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1286352230 YKCMMPNUMCCOLA-KRWDZBQOSA-N 425.577 4.946 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](SC)C(C)(C)C 1286368622 WWHRVIJUGMRRCF-NRFANRHFSA-N 438.597 4.964 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCc1csc(C(C)C)n1 1286450541 JDKSWWXKCKHRII-UHFFFAOYSA-N 444.004 4.793 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286500037 YIDCLSSOLFORPV-MRXNPFEDSA-N 449.001 4.506 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC(F)F 1286534221 DGUBXDXDKZGXLV-UHFFFAOYSA-N 435.700 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1286578238 CDSMMSAGZOYNSZ-CJFMBICVSA-N 427.612 4.921 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN(C(C)C)C(C)C)CC1 1286648915 WLFBLAVGBQKPAX-UHFFFAOYSA-N 431.575 4.812 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C1CCCCC1)N(C)C 1286716643 JLQAETFNJFRNIQ-XMMPIXPASA-N 432.616 4.934 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C)CCC1)C1CC1 1286736549 GFYSFOBEDAWPQL-GOSISDBHSA-N 429.609 4.738 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC(F)(F)C1 1286741162 HMHNUYNLXVGAEA-WOJBJXKFSA-N 427.499 4.629 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CCOC)CCCC2)C1 1286803775 GHCNODIDOKWOKO-LJQANCHMSA-N 445.007 4.977 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1cc(F)ccc1F 1287085269 FFGKHZKNGBQVRQ-TZIWHRDSSA-N 443.542 4.653 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1287317811 DBIDDRFUYZKDRN-NFBKMPQASA-N 442.007 4.713 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(I)c(C)cc1C 1291870873 MHLNOQJGKFXJCZ-UHFFFAOYSA-N 435.305 4.745 30 10 IJEE CCOC1CC(CCn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1296917779 DXMGOLRJUSCSIW-YNJPUODISA-N 437.588 4.501 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1(COC)CCCC1 1300275767 ZUVSTSJLOZHUAL-MOPGFXCFSA-N 428.552 4.612 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1300391686 RGUXUOUBRJCLOM-ZHRRBRCNSA-N 443.389 4.899 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCN1CC 1300797573 FHRLTDZNKHLGSB-YIXXDRMTSA-N 449.643 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CCc1nc(C)c(C)s1 1300924497 CMDFKGWWTQDOOJ-UHFFFAOYSA-N 429.565 4.715 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1300936931 ANFBXBFOTBLLBU-FQEVSTJZSA-N 425.577 4.577 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)CN(C)C)CC1 1301072781 RDGNTAGNXCSYNA-SFHVURJKSA-N 427.662 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnccn1 1301139992 YIESXCKEHNUQRX-UHFFFAOYSA-N 428.487 4.575 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)C[C@H]2CC)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301168539 RPVRPFNNHSTUQL-DNRBGDKYSA-N 438.616 4.915 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1301228000 ZANCJQZIQIBNCD-NRFANRHFSA-N 433.556 4.589 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccsc1)N(C)C 1301380287 AXFICGXWGJLKNP-HSZRJFAPSA-N 446.624 4.980 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(F)cc2Br)n1CC=C 1301406862 WSVNOHALEBEDEH-UHFFFAOYSA-N 431.309 4.861 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)Cc1c(C)nn(C)c1C 1301434487 VYMZVYATHMYZNA-UHFFFAOYSA-N 426.977 4.986 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2cccnc2)C(C)C)C1 1301545936 NTSPAPIVIYQDAE-VWNXMTODSA-N 431.584 4.870 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H](c3cccs3)C3(CO)CCC3)s2)cc1 1310086755 HMYHVHUHOUFWMO-IBGZPJMESA-N 438.578 4.692 30 10 IJEE CC(C)n1cc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1 1310248323 HHKJRGSSJRCLSP-UHFFFAOYSA-N 436.491 4.506 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 1310582420 YAGLVWBMBXNXKC-HXUWFJFHSA-N 431.458 4.507 30 10 IJEE C#CCN(CC1CC1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1311360464 PSTGPGSTJYQBOO-NRFANRHFSA-N 428.001 4.556 30 10 IJEE C=CCc1cc(C(=O)NCC(C)(C)c2cccc(Br)c2)cc(OC)c1OC 1357465747 DEKZHLSPBFNXNT-UHFFFAOYSA-N 432.358 4.902 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@@H]1CCCCO1 1358879882 ZZLUHKUUNGXQJN-MJGOQNOKSA-N 445.405 4.823 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1358928329 AANPDGHNJYVPLK-GOSISDBHSA-N 427.543 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)COC 1359066840 RICANEIJDSCDBZ-AREMUKBSSA-N 448.567 4.782 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(CC)C1 1359093696 QWSUVICQVZYKND-MOADCYBESA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCCN(CC)CC)CC1 1359174927 UNVLZGVUYXVMBK-UHFFFAOYSA-N 432.616 4.936 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1359188283 KPJNEFWYSPPIIS-ICSRJNTNSA-N 430.980 4.616 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359199391 UHKOGQUTMOWWAM-ROUUACIJSA-N 446.437 4.983 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1359204805 BOWWJWYHALKCGW-WOJBJXKFSA-N 431.625 4.717 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C1CCN(CCC)CC1 1359209806 ZWIRTSMSPFOGFV-UHFFFAOYSA-N 433.604 4.612 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359219787 CTFSWPLYUWEEEY-UNMCSNQZSA-N 437.632 4.794 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1Cc1ccc(C)cc1F 1359277602 QIPHZCGRINCZMJ-UHFFFAOYSA-N 431.515 4.588 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCCC[C@H](SC)C1 1359345734 OPQNXHCPRXTLPE-FQEVSTJZSA-N 432.659 4.807 30 10 IJEE N#Cc1nc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)ccc1Br 1437020003 GPSJDXGDSISOON-UHFFFAOYSA-N 430.265 4.578 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1439305609 FRZBWZDXTOLBAD-CQSZACIVSA-N 431.330 4.668 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC3(c4cccc(Cl)c4)CCCC3)ccc2c1=O 1445560244 BCJZOJOLAKKGNI-UHFFFAOYSA-N 439.968 4.724 30 10 IJEE C#C[C@@H](NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)c1ccc(Cl)cc1F 1449320460 SLGJYDVXUYPOKP-QGZVFWFLSA-N 448.951 4.588 30 10 IJEE C=CCn1c(SCC(=O)Oc2ccc(OCC)cc2)nnc1-c1cccc(Cl)c1 1458999235 LPRFSSLAQILASQ-UHFFFAOYSA-N 429.929 4.881 30 10 IJEE COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cc(Cl)cc(C#N)c2)cc1 1459119983 ATMXAHQOGIDYRU-XMMPIXPASA-N 445.906 4.977 30 10 IJEE C=CCOc1ccc(CNC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)cc1 1459932704 VATMGYRGMIVLIF-UHFFFAOYSA-N 426.520 4.747 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Nc2nc3c(Br)cc(OC(F)(F)F)cc3s2)C1 1465970158 JGGAIARUFUMOHO-SECBINFHSA-N 448.264 4.835 30 10 IJEE CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 1466568012 FHKXHTBNCSSTQU-NRFANRHFSA-N 438.959 4.884 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 1466816804 ONVAOSZLDJPDRN-NRRJATNASA-N 437.359 4.634 30 10 IJEE C#C[C@@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1)c1ccc(Cl)cc1F 1470664872 AMHFXNREPPFATM-WIYYLYMNSA-N 449.954 4.776 30 10 IJEE C=CCCC[C@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)c1ccccc1 1471590141 XVIXVRSOYZOACH-KRWDZBQOSA-N 440.887 4.967 30 10 IJEE C#CCN(C)CC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 1473442609 JZSYMTWJJOKVIY-JCIKJAKISA-N 433.502 4.653 30 10 IJEE C=CC[C@@H]1N(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)CCCC1(C)C 1477274046 HSLOOIOOKTULEU-DEOSSOPVSA-N 426.649 4.674 30 10 IJEE C#CCN(C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1478176999 WNLIQJPOXDCHRC-RBBKRZOGSA-N 427.589 4.792 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 1478189096 HSQPZXAEXSKVSH-KRWDZBQOSA-N 430.483 4.852 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 1478659816 HORTYQCOSCOAMI-JOCHJYFZSA-N 428.939 4.575 30 10 IJEE C[C@@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(C)(C)C)C2)C1 1493695704 GUVHPRXDLSGSCS-TXTKFYIRSA-N 434.632 4.810 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1501973584 CIZGFUADOTWNBN-QZTJIDSGSA-N 440.661 4.602 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H]2CCC[C@H](O)C2)cc1 1505314788 BCMHLQZRNCCMTO-ICSRJNTNSA-N 447.505 4.537 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1ccsc1)N(C)C 1507679216 SGYKKBOUFABNOD-QFIPXVFZSA-N 433.625 4.572 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC(C)C)nc1 1507680050 WMMSDAOKLLBUFF-NRFANRHFSA-N 447.583 4.725 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1csc(-c2ccccc2)n1 1507681878 FOBKRGRFKGSBKX-UHFFFAOYSA-N 448.983 4.819 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1507757282 RHAXMCJTLZFAPT-PKOBYXMFSA-N 433.021 4.892 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN(C)[C@H](C)CC 1507815436 BAUOBCLXXMXNNQ-QGZVFWFLSA-N 434.426 4.840 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(OC)c(OC)c1Cl 1507818344 MLVNIWLXEJYTCW-IBGZPJMESA-N 448.995 4.835 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507933995 VXHRCCXNJQIMJO-IBGZPJMESA-N 444.023 4.572 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1507941534 LKNBBGKQOIQIRT-UHFFFAOYSA-N 431.462 4.784 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](OC)[C@H](C)CC 1507972003 FCMDTFMSIJIZDE-CXAGYDPISA-N 425.346 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@H]1C(C)C 1508006792 LLPAZGHYMYUZBL-UGKGYDQZSA-N 439.629 4.989 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC(C)C)C1 1508119460 ZVTNPDXUIRMFFN-KRWDZBQOSA-N 439.387 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCCC1 1510287773 CLTOSZZXMMVXEW-CYFREDJKSA-N 442.608 4.670 30 10 IJEE CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1521544632 GVVZYHCACNUMBH-UHFFFAOYSA-N 436.581 4.822 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)CSc1nnc(-c2ccco2)n1CC(=C)C 1522452111 DGXCVVGIKMTXQA-UHFFFAOYSA-N 425.510 4.549 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@@H]1c1cccc(C)c1 1522777308 ALFMCOFWACMNBB-RDGATRHJSA-N 443.572 4.821 30 10 IJEE C=CCOc1ccc(CC(=O)N2[C@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)cc1 1524189586 SKKZFXZJCNPUCO-QZTJIDSGSA-N 432.486 4.939 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(O[C@H](C)C(F)(F)F)nc1C)c1ccc(Br)cc1 1525053851 GIURDHYGVIGPDZ-MLGOLLRUSA-N 441.247 4.586 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCc1cc(Br)cnc1OC 1526240507 IHSQOLCAFNYTEQ-UHFFFAOYSA-N 446.219 4.793 30 10 IJEE CCSc1ccc(Cl)cc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1527920759 CYVMIGJPIQFTOQ-UHFFFAOYSA-N 436.968 4.834 30 10 IJEE C=C[C@H](CC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1)c1ccccc1 1529560995 BHRLKKBUGOJNGT-TYCQWZJGSA-N 442.353 4.524 30 10 IJEE N#Cc1ccc(OCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1Br 1536041861 FWCNAZVGPOVHRN-MRXNPFEDSA-N 437.746 4.706 30 10 IJEE C#CCN(C(=O)c1nn(CCCCC)c(=O)c2ccccc12)[C@@H]1CCCc2ccccc21 1536279836 QTNTVNQHGZMYBQ-XMMPIXPASA-N 427.548 4.740 30 10 IJEE C=CC[C@@]1(C(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CCCN1C(=O)OC(C)(C)C 1538465927 HIEUWKPPJSZMMJ-DYLHXGEVSA-N 440.584 4.933 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C3(CNC(=O)OCc4ccccc4)CCCC3)cc21 1538659005 ZROJCNHYOWAWMF-UHFFFAOYSA-N 432.524 4.648 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC[C@@H]1C 1539246087 OBNIUPXYZNKXJH-NRFANRHFSA-N 449.668 4.613 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)coc1C 1539295543 CGBHZPYVWPZGLL-IBGZPJMESA-N 436.943 4.793 30 10 IJEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1539345843 ZAXOCUJAPZPOST-PTLVVNQVSA-N 442.991 4.550 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCOC(F)F 1539538739 MKVLQYRRIOUSFC-YCRPNKLZSA-N 438.906 4.693 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=CCC1 1539640420 HQQVBLGBWNHDLT-HRAATJIYSA-N 449.382 4.911 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCc1c[nH]c2c(CC)cccc12 1539674220 NYDOZPVTYHLENB-UHFFFAOYSA-N 428.584 4.953 30 10 IJEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1539751898 WYGSRRPHUIPQDO-WOJBJXKFSA-N 445.633 4.570 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2sc(C)nc2C)CC1 1539841175 BZHAWZLVXTUHFQ-UHFFFAOYSA-N 444.402 4.986 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cscc1C(F)(F)F 1539945524 PDWTVCAKWIVNMM-INIZCTEOSA-N 441.523 4.540 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC[C@@H](SCC)C1 1539999879 UEZGJGRGSJUVOZ-QGZVFWFLSA-N 438.601 4.672 30 10 IJEE C=CCN(c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(CC)C1)C1CC1 1540114061 HIOZOTVCJPDBBM-HXUWFJFHSA-N 437.632 4.651 30 10 IJEE CC[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N1CCc2ccccc2C1 1540746538 AAVVTDIKKWQDFY-SANMLTNESA-N 439.559 4.704 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2C#N)[C@H](C)C1 1544389934 FQMIQKCQPGAWLI-ZMSDIMECSA-N 439.556 4.936 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccsc2)N(C)C)C1 1546656057 FSMKRUCRTAPNRF-GCJKJVERSA-N 434.613 4.808 30 10 IJEE CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H]1CCN(Cc2ccccc2)C1 1562180456 DTNNQKMJNMPOFO-HSZRJFAPSA-N 441.535 4.874 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 1562303960 ABNZIGZBJHKWTM-QFIPXVFZSA-N 448.498 4.923 30 10 IJEE C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1C(F)(F)F 1564373973 HWRPQZICNMBYTQ-ROUUACIJSA-N 446.517 4.842 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1587777533 IQUXZKZVAGZIRN-PXNSSMCTSA-N 426.611 4.762 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@@H](SC)C(C)(C)C 1588254008 MNIXZRIKWVUMFB-JOCHJYFZSA-N 438.641 4.660 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC(C)=C(Br)C1 1589394516 HWYUTJGKBLFWPT-UHFFFAOYSA-N 430.188 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1589599980 QYLBIJZHNLJMSY-PTLVVNQVSA-N 428.552 4.590 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1593654557 BZJFPLVKFDLKOC-PMACEKPBSA-N 431.625 4.717 30 10 IJEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1593694801 AFRXTJBVWXGDSI-PGRDOPGGSA-N 447.023 4.988 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(COC)CC1 1593711998 OIFFUQCVVZOLEA-SFHVURJKSA-N 444.645 4.587 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)=C(C)C1)c1ccccc1 1593796011 FEGBXBCRWXCPRB-UHFFFAOYSA-N 433.581 4.530 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCN(C)C(C)C)CC1 1594208025 AEKYTXYJOFHNKG-GOSISDBHSA-N 427.662 4.874 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1594528567 KXVNTHPQZQMOJA-SFHVURJKSA-N 433.641 4.919 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1594617312 YBGDGLKLYHHODE-MOPGFXCFSA-N 429.634 4.931 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@](C)(OC)CC1 1594626779 OWCULLALLKZAIO-ZJSXRUAMSA-N 426.561 4.542 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 1595065033 HCPMWRJDXWQEDE-IRLDBZIGSA-N 438.616 4.995 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN1C1CCCCC1 1595196509 VLPOAQCESOVDOG-QFIPXVFZSA-N 435.616 4.929 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1CC(C)C 1595234115 GYXBQYUUEOIFMK-UHFFFAOYSA-N 442.405 4.937 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 1596169822 PRDVGBAGULGPJJ-LSDHHAIUSA-N 438.849 4.971 30 10 IJEE C=CCC(CC=C)C(=O)N1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1611109731 FDQRKWLSMFPXBL-SFTDATJTSA-N 440.584 4.911 30 10 IJEE C[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1612756049 HDJWGFWGDPDFET-BHIYHBOVSA-N 447.505 4.944 30 10 IJEE C=CCn1c(SCc2nnc(C(F)(F)F)s2)nc2sc3c(c2c1=O)CCCC3 1613283602 IHYXSYMYFXVLIG-UHFFFAOYSA-N 444.529 4.685 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1618312807 YMJBIWZMZKFEIX-QZTJIDSGSA-N 447.000 4.839 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc3c(c2)CCC(=O)N3C)cc1OCC 1620836209 YUPCKVXHIFBPNQ-UHFFFAOYSA-N 445.357 4.934 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(-n3nncc3C)cc2)cc1OCC 1620984381 QGGXKJQVUVYZPL-UHFFFAOYSA-N 443.345 4.914 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@H](C)Oc3cc(C)c(Br)cc32)cc1 1621877238 NSLNGYRFOLIMKU-HNNXBMFYSA-N 436.371 4.852 30 10 IJEE Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc(C#N)c(Br)c1 1622079520 GBNLIGNCURQFNN-MRXNPFEDSA-N 447.276 4.601 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)cc1 1622964843 RXNCOICFPOIGBS-UHFFFAOYSA-N 449.551 4.778 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@H]2CC23CCC3)ccc1Cl 1625608681 GSBCVJZBOUBSBL-FQEVSTJZSA-N 448.947 4.533 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)c1ccccc1 1638029016 DIMJJYGADZLCJE-RUZDIDTESA-N 433.596 4.961 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N[C@H](c2cccs2)C2(CO)CCC2)cc1 1640116544 DNNODIKDSZVICU-HSZRJFAPSA-N 432.545 4.832 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 1640258011 OQCARAKNPQPHKN-UHFFFAOYSA-N 428.872 4.514 30 10 IJEE C=CCn1c(SCCN(C)Cc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 1643476875 ROJCMTGUGGVICW-UHFFFAOYSA-N 443.613 4.886 30 10 IJEE C=CC[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1)C(=O)OC 1651594017 MYUGBHNWGHNGMN-SFHVURJKSA-N 429.929 4.806 30 10 IJEE C=CC[S@](=O)(=NC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1)c1ccccc1 1653396181 AATWRDSVJILJRN-GDLZYMKVSA-N 446.985 4.561 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1Br 1655025633 SIASOSYBWCQFCO-UHFFFAOYSA-N 444.778 4.942 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(Cc2ccccc2)[C@H](CCC)C1 1657920515 WVUSDIOHSBLEEH-JTHBVZDNSA-N 425.642 4.638 30 10 IJEE C=CC(C)(C)CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 1665326855 SJLZOANHVCBARK-UHFFFAOYSA-N 430.286 4.618 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 1669089187 MTVULLGPYWZDNR-UHFFFAOYSA-N 427.327 4.635 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)c1ccc(F)c(F)c1 1671852343 WESRSIXRELYNLT-CXAGYDPISA-N 426.389 4.590 30 10 IJEE CC(C)(C)c1csc(NC(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c1C#N 1672201787 ICBPKYVQJIEUDS-AWEZNQCLSA-N 427.448 4.671 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2 1673559379 MVDQGBXRZYDQNT-UHFFFAOYSA-N 433.961 4.547 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 1676234647 QOFWUILNPIPGEX-XMMPIXPASA-N 428.532 4.777 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1cccc(Oc2cc(OC)cc(OC)c2)c1 1677638584 ICWSHJRVRCMYMN-UHFFFAOYSA-N 446.503 4.508 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(Br)ccc1OC(F)F)c1ccc(Cl)cc1 1678017226 MVLMAPOAXICGKX-OAHLLOKOSA-N 443.675 4.878 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)c1 1681996043 OSJKLDHOOVPKKY-UHFFFAOYSA-N 433.552 4.563 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(c3ccccc3Br)CC2)cc1 1682560723 YGKBZILIUIQTKY-UHFFFAOYSA-N 427.342 4.550 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 1682684546 UHHXRNRHDCTDHL-BKTFPUOISA-N 447.988 4.810 30 10 IJEE C#C[C@H](NC(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C)c1ccc(Cl)cc1F 1686922164 BTHVMSFHZMVOKF-ZHRRBRCNSA-N 436.918 4.622 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCC(C)CC1 1689840020 QWXYXDAEZAOPDF-SFHVURJKSA-N 431.987 4.708 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1sc(C)nc1C 1690088467 MEAZYICLLUWGKQ-UHFFFAOYSA-N 435.528 4.747 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(O)C(C)C 1690259258 CKFCRQFDDICGCP-HXUWFJFHSA-N 439.373 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1Cc1ccnc(N2CCCCC2)c1 1690260155 AOKPBTFDGJDTHE-UHFFFAOYSA-N 434.563 4.920 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCCOC)CC1 1690422710 XNRFYBXNRJLGCB-UHFFFAOYSA-N 432.996 4.833 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1690474179 UUWPXWXVJYOQAS-SFHVURJKSA-N 429.977 4.908 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](CC)N1CCCC1 1690519209 AOXXVKWTPRCSGA-SFHVURJKSA-N 432.410 4.513 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC(F)(F)C1 1690604107 PJRLIGRTDWEDDA-JOCHJYFZSA-N 437.538 4.934 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(Cn2cccn2)CC1 1690636107 GTJIITOFZOOJAV-UHFFFAOYSA-N 434.588 4.669 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](SC)C1 1690752306 DFVKRSYTKQGYKA-IPMKNSEASA-N 438.707 4.838 30 10 IJEE CC(C)c1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)cs1 1691624217 BPQNSXJXFBQKFB-UHFFFAOYSA-N 445.596 4.769 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1705540356 WLWICJIBXLUVPI-XBYSBRQOSA-N 436.600 4.577 30 10 IJEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705734489 QMTHLGNYDGAQFG-VQIMIIECSA-N 447.505 4.664 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1)c1ccccc1 1705796008 WNRCCSIQTBNJEV-OAQYLSRUSA-N 449.624 4.715 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1 1705796903 MRLJIJGKQZBGRF-DEOSSOPVSA-N 449.643 4.819 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)COC)C1CC1 1705851184 XIOWMDGAQMFKQO-UHFFFAOYSA-N 437.357 4.674 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CCc1sc(C)nc1C 1705863004 DPJFNWJQWFLBAC-UHFFFAOYSA-N 444.608 4.773 30 10 IJEE Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(CC#N)CC2)on1 1707945982 CREDAMGKVNZMMN-UHFFFAOYSA-N 431.327 4.727 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1nc(C)cs1 1722275723 BDEVVGUVEODSNP-DZGCQCFKSA-N 444.402 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCCS1 1722276551 JENGCIGGKDALHH-UEXGIBASSA-N 428.602 4.560 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1722403515 UVEDJKZFIYCPIK-MJGOQNOKSA-N 447.505 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)NC(C)(C)C 1722469427 CIQNIHSTGABNCB-AREMUKBSSA-N 435.616 4.540 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H]1CCC(F)(F)C1 1722498381 YQWHKOSVAFQNIV-WZONZLPQSA-N 428.527 4.847 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccco1)c1ccccc1 1722597945 XXCWZBSJMMZZOI-TZIWHRDSSA-N 433.556 4.551 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1cc(Cl)ccc1OC(F)F 1722669858 OXUDITRNSHVZGF-UHFFFAOYSA-N 431.874 4.822 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1Cc1cccc(COCC(F)(F)F)c1 1722930620 GHGLGNFZHCHFTH-UHFFFAOYSA-N 449.521 4.734 30 10 IJEE CS[C@@H](Cn1c(C(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)(C)C 1731045773 ABTHSQPECMNUJK-NRFANRHFSA-N 440.661 4.768 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1Cc2cccc(Br)c2C1 1740594063 ZVNURKFVFLAZJQ-UHFFFAOYSA-N 427.371 4.627 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](OC)[C@@H](C)CC 1740727404 KGNXJKXLBUFERV-XKDCRVNJSA-N 432.515 4.600 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cc(C)cs1 1740757640 WSLYJKVJCOQQOV-DENIHFKCSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CCC1 1740765973 FHWKXCZQDAGMBP-AVRDEDQJSA-N 430.980 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cccnc1OCC 1740776132 PXEWFKCKBVMORU-UHFFFAOYSA-N 430.556 4.595 30 10 IJEE C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1740780310 GSVQIJSFWZDSBV-SFHVURJKSA-N 430.325 4.826 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCN2CCC)CC1 1740822076 XFVGRQURNBWWOQ-SFHVURJKSA-N 444.421 4.738 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CCCOC2)CC1 1740832331 CGOMXNBMUQPWLQ-CTNGQTDRSA-N 440.588 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1740843846 RCQCUMYYFNYJLX-UYAOXDASSA-N 442.007 4.843 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](c1ccco1)N1CCCC1 1740891828 KGPXLBSHIIRVPG-ICSRJNTNSA-N 439.535 4.610 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1C)C1CC1 1740913040 BXFIIWWPXXVZIO-BJLQDIEVSA-N 429.609 4.941 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1Cc1nccn1C(F)F 1740916883 ZWXZKFMZQXPRDO-UHFFFAOYSA-N 439.514 4.571 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1ncc(CC)s1 1740919212 YQFSWAHMJBYJHU-UHFFFAOYSA-N 430.581 4.908 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1746415752 GWTOQFJJBLAAMF-CMKODMSKSA-N 440.661 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccnc(SCC)c1 1748658951 ZJEHXGSUXCLAAK-KRWDZBQOSA-N 428.565 4.507 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1748659436 HNQNIPCGUYODEG-YDHSSHFGSA-N 449.624 4.556 30 10 IJEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1748724024 HPVCUEDJIKKXIN-DENIHFKCSA-N 447.410 4.989 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCOC2(CCCCC2)C1 1748739912 LJCVMOJURUDZNM-UHFFFAOYSA-N 449.418 4.722 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(OC)CCCC1 1748773327 WSFYSCOBLFGXNO-GOSISDBHSA-N 430.980 4.717 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nnc1C(C)(C)C 1749139191 CEONMTBLRUSWHW-TZIWHRDSSA-N 441.576 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1749148200 ZKKKTXMDEUQPPX-WIOPSUGQSA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749218257 JOUJOWSKKVRWRH-GGAORHGYSA-N 438.616 4.841 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](OCCC)CC1 1749255562 CEGVTGJNGUYSJP-GOSISDBHSA-N 434.968 4.500 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)CCC 1749284180 HEROLFGNUBLRQF-WBVHZDCISA-N 426.005 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCCO[C@H](C)C1 1749376334 WHGBCEOUOUUYRB-GOSISDBHSA-N 430.618 4.797 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1749433453 KNCMTTMYACIYGS-PZJWPPBQSA-N 442.677 4.691 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C)CC1 1749460985 LEUOQVAALAIUKM-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@H]1CCO[C@H](C)C1 1749475330 BSMRVUVTPOZUAS-CVEARBPZSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CC[S@@](=O)C(C)(C)C 1749544418 HLFLJSLBADUUOP-WJOKGBTCSA-N 446.636 4.890 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCCOC(F)(F)F 1749547260 MIDSADNRJRVAOG-UHFFFAOYSA-N 449.452 4.907 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1cnc(C)s1 1749547353 OWNSJTPHKUUIRH-HXUWFJFHSA-N 427.549 4.665 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1749590146 QBXBRPKSOHRHDK-KRWDZBQOSA-N 428.474 4.836 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@H]2C)CCC1 1750265550 CJUZAPURUYIQKH-ZWKOTPCHSA-N 425.602 4.639 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760139615 JCXGYJCIRAYIAP-QFIPXVFZSA-N 428.527 4.670 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1760144976 FYWIHPKNHGFWFS-DYESRHJHSA-N 440.931 4.656 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1760153703 ACZVWVHSZOCMAG-UHFFFAOYSA-N 436.556 4.582 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCSC1(C)C 1760295909 LOMUEIQNQUHWAR-WAIKUNEKSA-N 430.568 4.671 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H](C)CC#N 1760315160 AXBFMLVLZQTQDW-IKVWTGGYSA-N 443.979 4.791 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1760317293 DIBKXHVCMIQYSR-FZOAFFARSA-N 437.563 4.666 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(OC(C)C)nc2)CC1 1760403214 JYCUFNIAIHVJJZ-UHFFFAOYSA-N 447.583 4.510 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](COC)C1 1760409563 ZBWVGYXPEXVGMM-OAQYLSRUSA-N 426.605 4.697 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1760410093 SQGQTWHJDLPDAV-FQEVSTJZSA-N 448.615 4.610 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1ccccc1OC 1760429378 AOBUWLMTSUDVHD-JOCHJYFZSA-N 434.588 4.846 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1760433193 BHUBBXNQFIEKRC-FQEVSTJZSA-N 440.569 4.558 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1)C(C)C 1760488064 KWAJXSCWNWZUCS-DEOSSOPVSA-N 444.627 4.896 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1Cc2ccccc2C1)C(C)C 1760488401 UJRJZYMKSUFCGY-DEOSSOPVSA-N 428.584 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CSCCS1 1760497040 PHPDXHDBSHMJLT-IBGZPJMESA-N 430.643 4.501 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1760508108 IHNMWYQSAZDXKI-MRXNPFEDSA-N 445.386 4.923 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(OC)c(C)c1 1760508408 ZPCNPGZLFPBFLX-UHFFFAOYSA-N 433.375 4.909 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)COC)C1 1760539122 KMDSFYYMIKZUGR-OAQYLSRUSA-N 426.605 4.697 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760561475 BDVOGGZCQRLMMZ-QFBILLFUSA-N 449.020 4.532 30 10 IJEE CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C(C)C)N(C)C 1760980128 GRRNFJULEYBCOX-JOCHJYFZSA-N 434.588 4.801 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1770403021 GWDDITBKYUNBOD-QUCCMNQESA-N 425.602 4.639 30 10 IJEE CC(C)c1nc(C#N)c(NN=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)o1 1772721759 XAQRDRDQLXXSHW-UHFFFAOYSA-N 441.451 4.877 30 10 IJEE COc1ccc(/C=C2\SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)c(OC)c1 1772738336 OWBNLJHZNFXSFH-PTFNFONRSA-N 438.534 4.672 30 10 IJEE Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4sc(C)c(C)c4C#N)cc3C2=O)c(C)c1 1859477910 OTRLBPFUTGEHKF-UHFFFAOYSA-N 429.501 4.906 30 10 IJEE Cc1c(C(=O)Nc2cc(NC(=O)c3cccc(C#N)c3)ccc2Cl)cccc1[N+](=O)[O-] 1860461826 UJUZHWDBQCTDSK-UHFFFAOYSA-N 434.839 4.933 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(OC)c2)cc1 1862390368 BVSYSHSHYJGBIA-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(O)cc2)cc1C 1862400639 JOUUHGYMASIRJC-XMMPIXPASA-N 443.499 4.796 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1F 1862445760 CYIVKJUHADFNRS-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2F)c1 1862491019 JSFFECSPICODOP-QFIPXVFZSA-N 434.442 4.755 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 1862510303 AHIRLNZCSJNHHW-SZNDQCEHSA-N 427.472 4.528 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1 1862543215 ASGOCSNAMKSSGX-VWLOTQADSA-N 446.591 4.876 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)c1 1862558537 YVHOBVOTIHXMOE-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862558981 DYEWRZCAXWFWRM-QHCPKHFHSA-N 434.536 4.969 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 1862585599 ZWSPSFNVEWASCZ-LJQANCHMSA-N 446.286 4.505 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc(O)c1 1862595180 JZYFQRDSKZKZHI-HSZRJFAPSA-N 442.446 4.791 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2F)cc1 1862626101 URDJEGDROYURPD-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862645005 YEQGTWOFVXSNSF-NYHFZMIOSA-N 441.499 5.000 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2cccc(OC)c2)cc1 1862686954 DHLVDHLSOBEEGG-VZPUWSDOSA-N 435.520 4.861 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc2ccccc12 1862757045 UADFWQFUSWDJPS-QFIPXVFZSA-N 430.460 4.982 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863501510 KGPYJYSAOJUFMA-UHFFFAOYSA-N 446.510 4.783 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCCOC)C1=O 1863786901 ALEKXUBTAZZYDY-UHFFFAOYSA-N 432.580 4.981 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@H]1c1cccc(C)c1 1865563398 KCXQHEZYFIBJRM-JOCHJYFZSA-N 448.611 4.695 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1 1866716167 QHLJYLDXFSCHMQ-QRWLVFNGSA-N 429.973 4.582 30 10 IJEE CCC[C@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1ccccc1C#N 1866775577 NSAGIUNFDXSTNF-GGAORHGYSA-N 435.568 4.929 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CSCc1ccccc1 1870253216 CBFXOJBVWIFYHZ-UHFFFAOYSA-N 429.582 4.970 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2F)cn1Cc1ccccc1F 1870347026 NITWZXDFYHNWMX-UHFFFAOYSA-N 436.502 4.928 30 10 IJEE C#CCOc1cn(CCN(CC)CC)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871008472 XKNXTRPSYOMTES-UHFFFAOYSA-N 443.591 4.790 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)C(Cl)(Cl)Cl)cc(C)c3C2=O)cc1 1871363013 BDULMYHONKHKIL-NVNXTCNLSA-N 427.667 4.895 30 10 IJEE Cc1c(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc2c1O/C(=C\c1cccnc1)C2=O 1871377594 SXSQHXPBHYZQBS-VIBAAIGISA-N 428.400 4.533 30 10 IJEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCC[C@@H](CO)C1 1871398346 DQHHGEMHVBYXES-SQKQDPHPSA-N 434.319 4.520 30 10 IJEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc(O)c2CN1CCC(N2CCCCC2)CC1 1871398991 YZAVBQDRVPUGQV-JLPGSUDCSA-N 436.527 4.598 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4)ccc3C2=O)c(OC)c1 1871403961 FBBQVGZGOHZXDS-ACMDDDSKSA-N 445.471 4.726 30 10 IJEE CCCCCCCCN=c1nc(N2CCc3ccccc3C2)[nH]c(=Nc2ccccc2)[nH]1 1871599206 CBOJJHYYCGLSOC-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872344973 BHYPLUBXEWDLOO-REWPJTCUSA-N 449.661 4.648 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C)c1C)C(C)C)S(=O)(=O)c1ccc(F)cc1 1872502856 KXYCMMKVGDPBGL-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCOC(C)C)C1=O 1873043847 MXXGMSLELGOKSK-UHFFFAOYSA-N 444.616 4.930 30 10 IJEE Cc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873294313 MHFDVHLUGBCZHU-UHFFFAOYSA-N 446.510 4.783 30 10 IJEE C=CCSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cc(OC)ccc1OC 1874331219 BJQNOVIMZOWPLU-PCLIKHOPSA-N 436.581 4.858 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccc(Cl)cc2)cc1 1874445153 UKPUAEKEAJBDCA-FNLSEGDXSA-N 443.916 4.866 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1)c1ccccc1 1874457472 QJDAPRQDEVJBMI-OAKZWBAKSA-N 433.581 4.787 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1sccc1C 1874480101 IBVPQZAYJMFYRW-QIWJOQEQSA-N 441.626 4.842 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C(C)C)cc(OC)c1OC 1874513622 IFVVTCIVOFAPOF-YDZHTSKRSA-N 426.542 4.602 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CC2)n1/N=C/c1c(Cl)cccc1Cl 1874520614 QTEXHFCYENYCRG-ODCIPOBUSA-N 427.357 4.636 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)c(OC)c2)cc1 1874617309 VIGJXEMEGYJTTB-RIYZIHGNSA-N 425.525 4.627 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)Nc2cccc(C(F)(F)F)c2F)c1 1891324861 WKDIZJFOURUDBG-UHFFFAOYSA-N 437.437 4.895 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 1950068432 GWCBHVLKBVGOKT-TUVUNVSASA-N 431.508 4.859 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CN(c3cc(Br)c(C#N)cc3F)CC[C@H]21 1965590654 QOCQHHOYERNXHG-SUMWQHHRSA-N 438.341 4.686 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@](C)(C#N)C1 1984691170 VSFCKHHKRGVJLY-SHQCIBLASA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2008163173 MFTVRRDQQUIHQH-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@H](O)c1ccc(Br)c(Cl)c1F 2036851281 KTXYSXBNADYWJA-RBUKOAKNSA-N 428.729 4.636 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NC 2047972680 FVCFSAQPCKNBOM-DLBZAZTESA-N 429.786 4.540 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)c(F)c1 2079070292 DTSWGYVAPCDHOQ-AAWXNRKFSA-N 439.272 4.620 30 10 IJEE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1C 2080056402 STQJWGIOGWYMQA-HNNXBMFYSA-N 443.235 4.619 30 10 IJEE CCN[C@@H](C#Cc1ccccc1)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2103685032 NUMKCZSEMDYNPC-LBNVMWSVSA-N 448.607 4.860 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2110504282 QUGOGGRJKIYCIE-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE C[C@H](c1cc(Br)cs1)N(C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2130036837 ICNVSPFOPUCPBV-TZMCWYRMSA-N 444.395 4.617 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 2159126196 SCRKCVICBNRNAL-RBUKOAKNSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2cc(Br)cc(C#N)c2)CC[C@@H]1C(F)(F)F 2174812537 MBDDVPAISMRGNZ-LSDHHAIUSA-N 448.283 4.603 30 10 IJEE CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1C#N 2181047966 QCAMYJVZFIUCFQ-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181102136 BIOKLBRLJILQSO-XJKCOSOUSA-N 436.350 4.541 30 10 IJEE Cc1cc(CN(C)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)sc1Br 2202312978 CDSNGVCHSPIJPX-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1[C@H](CC)CCN1C(=O)OC(C)(C)C 2235730742 OZOICLFRDKKHLO-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 2235734152 WBJDBTDOGRONBT-UHOSZYNNSA-N 439.369 4.516 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)[C@]2(C#N)N(Cc1cccs1)C(=O)OC(C)(C)C 2244325392 VFZFOXVKTJPATK-BRLLKYFNSA-N 433.574 4.634 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(c3c(Br)cccc3C#N)C1)C2 2285187385 CKXPHLCLGLYGLT-VFNWGFHPSA-N 434.378 4.842 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2296268386 DCACBRANXDOLKY-YSIASYRMSA-N 435.406 4.720 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](C#Cc2ccc(Br)cc2)NCC)C1 2296301304 SJGVDPULBIXGAI-LJQANCHMSA-N 433.390 4.640 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C1(C2(NC(=O)OC(C)(C)C)CC2)CC1 2296310041 DODSMEQGYOWQAP-SFHVURJKSA-N 433.390 4.616 30 10 IJEE O=C1C(=CNc2ccc(F)cc2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 2297378369 HRGAQFYMZGSBIY-UHFFFAOYSA-N 432.473 4.513 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)ccc2O1 2297742377 JBVYEZXSXVCQOM-PEBXRYMYSA-N 449.890 4.878 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2 2300583995 JLMXPMDDCZCZFJ-DBIVSCPCSA-N 447.498 4.715 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2305402211 CXZWUANAPYNZES-OHUGHZGNSA-N 428.573 4.554 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2306520172 CXZWUANAPYNZES-DFIYOIEZSA-N 428.573 4.554 30 10 IJEE C#CCOc1c(CC=C)cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc1OCC 2313558152 ULWJRVDIXHOSFU-UHFFFAOYSA-N 436.508 4.857 30 10 IJEE SC[C@H](COCc1cc(I)ccc1Br)CC1CC1 2319153226 CEEJCLPPAFMGLP-NSHDSACASA-N 441.172 4.916 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1cn(C)c2ccccc12 2320934302 HLQACBJMHNWUSQ-UHFFFAOYSA-N 446.580 4.562 30 10 IJEE O=C(C=Cc1ccccc1OCc1nc(O)c2ccccc2n1)c1ccc([N+](=O)[O-])cc1 2322466311 XEIUDUMEZZWFDG-UHFFFAOYSA-N 427.416 4.719 30 10 IJEE CCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3OC)cs2)cc1[N+](=O)[O-] 2323850692 BWEUBRKLFUHBHC-UHFFFAOYSA-N 442.497 4.970 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)ccc3C2=O)cc1 2325263503 XRRWTBBABXOXRC-UHFFFAOYSA-N 445.427 4.965 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc2c1C(=O)C(=Cc1cccs1)O2 2325302029 JKHUCXLVPJPTMR-OAHLLOKOSA-N 430.485 4.950 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(F)c1)C2=O 2325736219 VCZFEKBNSQTGHN-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE CCCOc1ccc(C=Nn2c(SCCC)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327884533 WSKFVFGTMNZGIK-GOSISDBHSA-N 443.617 4.566 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccc(OCC)c1 2328503280 OLXIYSINAMZDPE-UHFFFAOYSA-N 425.514 4.560 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cc(OC)ccc1OC 2328857458 BXZCGKPVNDIONA-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE Fc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccccn2)c1 2329174722 DPMPVYUVFUFSGU-UHFFFAOYSA-N 433.512 4.608 30 10 IJEE C=CCSc1nnc(CCc2ccccc2)n1N=Cc1cccc(Br)c1 2330201643 AZCNUFAUHYPYCE-UHFFFAOYSA-N 427.371 4.986 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2cccc(C)c2)o1 2330667815 UEBRCMDLHWTALD-UHFFFAOYSA-N 432.505 4.808 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCCc3ccccc3)nnc2C2CCCC2)cc1 2331077774 MTYOZCFWJSUNJO-UHFFFAOYSA-N 434.565 4.939 30 10 IJEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] 2331170440 RANFVEXCAVPERX-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CCCCc1nnc(SCC(=O)OCCC)n1N=Cc1c(Cl)cccc1Cl 2331353922 MVFBDKUDWGDXBT-UHFFFAOYSA-N 429.373 4.855 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2)c1 2331684456 CGPADXCNOSSMGG-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)cc(Cl)c1OC(=O)C1CC1 2331726309 SISBPVWSCAVZJH-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOC)c(OCC)c2)c(OCC)c1 2331736808 WTQYRWOJKGPKMC-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE CC(C)c1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(OC(F)(F)F)cc2)cc1 2332187087 AFCPTJOADZJZPZ-UHFFFAOYSA-N 441.413 4.813 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1C 2332197244 FKOOESCWSYIUGS-UHFFFAOYSA-N 449.514 4.987 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2cccc(CNC(=O)OC(C)(C)C)c2)n1 2337049146 XCCKSZVWZPNDTL-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CCN[C@@H](C#Cc1cccs1)c1ccc(I)c(Br)c1 2338251567 BJBQJLZDLGUFRI-HNNXBMFYSA-N 446.151 4.818 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339545031 OZDBXCIEPJOXQN-GOSISDBHSA-N 443.397 4.562 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2360197917 YLABCRCHZDPROO-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE Cc1cc(CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)ccc1Br 2364909983 PRXBEYFHXBVXHE-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC)c(OC)c2)C3)cc1 21231986 WXSUJOMNBZYPTA-PZJWPPBQSA-N 449.547 4.887 30 10 IJEE CC(C)c1ccc(CSc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)cc1 26093519 TXTCMXIKUVEKLE-UHFFFAOYSA-N 432.640 4.998 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 39840802 XEPXLXDDXUEYQK-QHCPKHFHSA-N 442.446 4.950 30 10 IJEE C=CCNC(=O)c1cc2ccc(OC(=O)/C=C/c3ccc(OCCCC)cc3)cc2oc1=O 40893927 YNIFZOPKMVFQFR-MDWZMJQESA-N 447.487 4.507 30 10 IJEE C=CCOc1cccc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)c1 60301338 RYGKYKTYPHCVAM-UHFFFAOYSA-N 439.313 4.724 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccccc1C 169946171 SAORDKDVQOYPLY-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2cccs2)s1 169988447 LAFJFZYFDMPHEL-INIZCTEOSA-N 432.473 4.883 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 170050869 YYAFPCDYDJLHCD-OAQYLSRUSA-N 447.874 4.910 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccc(O)c1 170082792 VTZWROICWGSIPX-QHCPKHFHSA-N 435.426 4.772 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2C)c1 170086362 FPJDSZKVSQNRCX-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2)cc1 170113663 JDHDTRRIVKBYME-GYCJOSAFSA-N 441.483 4.802 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCCC2)c1 170119403 VCRMDSVUWDBBDP-XMMPIXPASA-N 447.531 4.931 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccn1 170169655 NFTCUGJUZRXLGD-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccn2)c1 170169710 UONLQZAWXONSRK-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@@H]3c3ccccn3)oc12 170176400 FDQSRUSOLHRPMU-JOCHJYFZSA-N 440.455 4.928 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@H]2c2ccncc2)c1 170197772 MYNOPEIWDHRBQT-XMMPIXPASA-N 440.499 4.752 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccncc1 170198043 SWRXBZHQZKKZQZ-IBGZPJMESA-N 440.908 4.584 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)c(C)c1 170202905 IZRNFKFKQVLVSF-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1F 170249465 BIASFTPZFLUBFD-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccco2)cc1Cl 170282295 NHRLXFMLFWOJHS-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccco2)cc1 170283441 IRIYPGWFMCXLFO-IQMFZBJNSA-N 429.472 4.948 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccco2)c1 170297067 MPQCYJCIEZWHOR-NRFANRHFSA-N 432.432 4.583 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccc(C)o1 170310391 WMLDZJXZIDVTTL-HXUWFJFHSA-N 447.915 4.643 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2CCCC)c1 170324185 OUYRGKDSLCTRGB-QHCPKHFHSA-N 433.504 4.565 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)c(C(C)(C)C)c1 170536750 IYQXTCCYBCVYJS-UHFFFAOYSA-N 439.519 4.916 30 10 IJEE O=C1C(=Nc2cccc(Cl)c2)c2ccccc2N1CN1CCN(Cc2ccccc2)CC1 254557253 NKTYLOOORIKWTM-UHFFFAOYSA-N 444.966 4.583 30 10 IJEE N#Cc1ccc(NC[C@H](O)c2ccc(Cl)cc2)nc1NC[C@@H](O)c1ccc(Cl)cc1 302677497 NLKUNVAPQUNHCB-VQTJNVASSA-N 443.334 4.551 30 10 IJEE Cn1cc(CN(Cc2ccc(Cl)cc2)c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cn1 485431367 BGKSYOARYUDRIG-UHFFFAOYSA-N 432.871 4.608 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(O)c(Cl)c2)cc1 526487511 ZWFUHANLBWIXPA-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cc(Br)ccc1O 526824934 AXVWECRGUNHHBZ-FBHDLOMBSA-N 435.322 4.622 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(OCCc2ccccc2)CC1 549675290 GDQLHHZZMIBHHW-UHFFFAOYSA-N 447.539 4.658 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C2CCOCC2)CC1 554630482 QVSSZMMSSWGHRN-QGZVFWFLSA-N 430.980 4.901 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(c2noc(-c3ccccc3OC)n2)CC1 558964043 FLCQJQUWYBEDKR-UHFFFAOYSA-N 446.511 4.557 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(CCCC#N)c1cccc(Br)c1 586218337 MVGXECHLMSKGMT-UHFFFAOYSA-N 437.359 4.574 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccccc3)cc2)cc1 609500241 XLVWHZSCVFFFPU-HSZRJFAPSA-N 443.528 4.699 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCCC 721951304 RZYWRDRCWMUZLC-ROUUACIJSA-N 429.374 4.968 30 10 IJEE COc1ccc(C)cc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1cc(O)ccc1C 748295080 ZAQMYYPSZVFYGI-UHFFFAOYSA-O 432.525 4.500 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1cccc(NC(C)=O)c1)=C(/O)c1ccc(C#N)cc1 762440095 KIAZIMBWSJZGBJ-UHFFFAOYSA-O 443.552 4.690 30 10 IJEE N#C[C@@H](C(=O)Cc1ccc(OCCOc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1 765912411 JZSNEWGQXCKEKG-QHCPKHFHSA-N 448.906 4.688 30 10 IJEE CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1)c1ccccc1 787043987 AXFPOVPRMCXZNT-PMACEKPBSA-N 445.544 4.899 30 10 IJEE C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1=S 799941695 BUHUZDOJIAYUBM-FQEVSTJZSA-N 448.640 4.945 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 810473555 DVKOFSHNRGUBEL-OAHLLOKOSA-N 448.750 4.807 30 10 IJEE CSc1ccccc1N/C(=N/C[C@@H]1CCC[C@H](CN)C1)N1CCC(N2CCCC2)CC1 1088652406 MYTGTRSMUFTVAM-LEWJYISDSA-N 443.705 4.502 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 1116924296 SYPPVOZQRAWTPH-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE C=C[C@](C)(CC)C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1124159410 LPSZVQHEISYZGA-KWRJMZDGSA-N 427.353 4.748 30 10 IJEE C=CC(C)(C)CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1125603038 KUBAVBLDOVYYDH-IBGZPJMESA-N 430.545 4.784 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)COc3ccc(Oc4ccccc4)cc3)CC2)nc1 1127329370 CYEOIHRPMLVYDL-UHFFFAOYSA-N 443.503 4.631 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1OC 1127868160 DOKUCJIMHNOJQK-ZSOIEALJSA-N 440.515 4.678 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C(C)(C)C)cc1 1128251821 KELGGHUZKZRBEP-UHFFFAOYSA-N 429.492 4.806 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC/C=C\CC)ccc1Cl 1129246600 CZFWKQZXNZXEID-WAYWQWQTSA-N 436.936 4.556 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc(Br)c(C#N)c2C)cc1OC 1129955200 WHSWRBFZDGETMT-POHAHGRESA-N 427.298 4.855 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1131567899 UVCDPLPWZASFKG-MRXNPFEDSA-N 426.442 4.991 30 10 IJEE C#CCN(CC(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)C(=O)OC(C)(C)C 1136578150 BSMRVOMGMGTBQF-NRFANRHFSA-N 432.992 4.818 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F 1160808331 NTHAANWPXZVHGU-TZMCWYRMSA-N 436.858 4.991 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 1165507993 KFUWRQZRGKKCKF-VLGSPTGOSA-N 442.515 4.732 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C(C)C)N2CCC(C)CC2)cc1OC 1177256795 MTBNIRMLTPESCO-HXUWFJFHSA-N 439.438 4.869 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 1181305284 OILDKAFCJQQSKU-PMACEKPBSA-N 427.589 4.948 30 10 IJEE C=CCCCS(=O)(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 1184822610 YVIKMNVKKLPIEI-UHFFFAOYSA-N 444.000 4.980 30 10 IJEE CC(C)(C)OC(=O)CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1201257384 FVPLVUMWCKSUJM-UHFFFAOYSA-N 435.402 4.833 30 10 IJEE N#Cc1ccc(Br)cc1S(=O)(=O)NCC1CCC(c2ccccc2)CC1 1209487935 FNAZIISUSSGNRH-UHFFFAOYSA-N 433.371 4.573 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)cc1 1213550718 HQPRNSQNRFJJOF-UHFFFAOYSA-N 436.618 4.653 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)NCC3(N4CCSCC4)CCCCC3)c2)cc1 1265126625 IDQBYAOSTGUYTH-UHFFFAOYSA-N 435.593 4.832 30 10 IJEE C=C[C@H](CC(=O)NC1CCN(Cc2cccc(Br)c2)CC1)c1ccccc1 1275839586 UMXSQYMJBVTISN-LJQANCHMSA-N 427.386 4.890 30 10 IJEE CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C#N)c1 1279068861 FNKSMDLZQKZIKC-UHFFFAOYSA-N 439.924 4.679 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(Cl)nc1 1286272872 CCHBGPQSRIEEBL-QGZVFWFLSA-N 444.970 4.907 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1csc(-c2ccco2)n1 1286281271 GLGDSBBIUCOKHF-CYBMUJFWSA-N 441.919 4.960 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC1CCCC1 1286324075 NLSGGGHZPMSFQP-UHFFFAOYSA-N 446.599 4.666 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1286354625 QKHQJUKVZGNZDB-JTSKRJEESA-N 435.597 4.643 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cscc1C 1286461348 XIPVSCWKUXCELN-MRXNPFEDSA-N 440.638 4.636 30 10 IJEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)C1CCCCC1 1286584429 KLDOTMYYVKQOQY-SFHVURJKSA-N 444.649 4.528 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1286584497 LWYVUTAFSFOOJU-INIZCTEOSA-N 444.352 4.755 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCc2cccc(C)n2)CC1 1286664433 XVULCTSLRVWIMO-UHFFFAOYSA-N 447.583 4.604 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C)CCOCC1 1286681290 UEDNJVDMPUGWGE-JOCHJYFZSA-N 440.588 4.790 30 10 IJEE C=CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286691827 RVXSTCNAOGGNDT-FCHUYYIVSA-N 425.621 4.749 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCSC1)C1CC1 1286732970 KVQWUQSOKYCSFX-CYBMUJFWSA-N 437.382 4.755 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1Cc1nc(C(F)(F)F)cs1 1286740341 JSJHREUROUNKSZ-UHFFFAOYSA-N 449.502 4.880 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCC[C@@H]1CCCCO1 1286743344 ZEJYZDJSPMHWAD-QHCPKHFHSA-N 442.567 4.754 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCS[C@@H](C)C1)C(C)C 1286750921 JQEFOVXLGQDWHS-RBBKRZOGSA-N 425.646 4.585 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1nc(C(F)(F)F)cs1 1286754572 ZZKIESWQKUHELW-UHFFFAOYSA-N 435.475 4.656 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F)c1ccccc1 1288364051 GCICHOJEJXJQON-QFIPXVFZSA-N 432.561 4.682 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1scc(C)c1I)c1ccccc1 1289586986 OZYQCKCTPLEFQM-OAQYLSRUSA-N 431.320 4.514 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 1290464929 FWFULWHCTALGER-UHFFFAOYSA-N 425.935 4.901 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](C)c3ccc(C(F)(F)F)cc3)n[nH]2)c1C 1296531044 XSTCUHRZTOWEHK-CYBMUJFWSA-N 431.462 4.628 30 10 IJEE C=CCC[C@@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1C)c1ccccc1 1297968060 MBJQDAOSSGPYMM-GHTZIAJQSA-N 430.386 4.775 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1OCCC1(C)C 1300317087 JORNBTZODNTIEZ-WIYYLYMNSA-N 445.007 4.525 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1300372145 NZDXIABSQYRLIK-ZWKOTPCHSA-N 445.405 4.905 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1CC 1300664404 AQMHZGPBKJPGFL-MSOLQXFVSA-N 445.405 4.620 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cscc1C 1300676372 NOTLZOORDXYOJO-UHFFFAOYSA-N 447.029 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1300907471 KJUOEEASVOVOKV-QGZVFWFLSA-N 431.556 4.790 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](OCC(C)C)C1 1300937010 GGQBHBFGRMKCNE-SFHVURJKSA-N 433.394 4.843 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1301096793 FPJSTUZOZSCDGM-DXBBTUNJSA-N 430.637 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ncccc2C)CC1 1301112340 RJVGPCFNUOQYLK-UHFFFAOYSA-N 425.483 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N(C)Cc1cnn(C)c1 1301140846 CYIJBKLUTQOPHV-UHFFFAOYSA-N 443.393 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2)CC1 1301142178 XLOAXKBFNGMBOV-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301148113 LHKMSSDITQFBGJ-UXHICEINSA-N 443.661 4.719 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 1301163634 LAQMZLZBEPERTM-MZYLBHOOSA-N 437.632 4.893 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1301201925 BINZIXAVDDVGJB-VQTJNVASSA-N 441.595 4.834 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1 1301360188 XFELSCLMQVBPNO-UHFFFAOYSA-N 446.624 4.945 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1nc(C(C)C)cs1 1301410886 NRHIYFGNXHYTBQ-SFHVURJKSA-N 441.601 4.628 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCN(CCC(C)(C)C)CC3)nnc2C(C)(C)C)cc1 1301529993 OQEKSUGTUMEHQE-UHFFFAOYSA-N 439.648 4.747 30 10 IJEE C#CCC1(NCC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)CCOCC1 1308088060 GZBYSASVNWUIHX-UHFFFAOYSA-N 442.943 4.632 30 10 IJEE C#CCN(CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCOc2ccc(Br)cc21 1308634721 QNJZUEJMVZRMOE-QGZVFWFLSA-N 437.378 4.511 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1)c1ccccc1 1310395538 VRTWGFDPPSFZKS-KRWDZBQOSA-N 437.297 4.873 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1310625550 YJAVFMDJNQDUBY-LJQANCHMSA-N 441.597 4.548 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1312049548 FEXGRMCELHPCOL-CJNGLKHVSA-N 438.391 4.568 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1 1322463154 DVFMDJPOFAGKBR-NRFANRHFSA-N 433.533 4.829 30 10 IJEE CCCc1c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cnn1-c1ccccc1 1349631683 CFSDDWGPUKMHGC-UHFFFAOYSA-N 427.533 4.996 30 10 IJEE C=C(C)Cn1c(SCC(=O)N(C)[C@H](CC)Cc2ccc(C)cc2)nnc1-c1ccco1 1354583253 CSWOLOHXXTUYQJ-HXUWFJFHSA-N 438.597 4.994 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1359013695 IPBXSIZQUPGLJA-RDPSFJRHSA-N 438.616 4.675 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCCN1CCCC[C@H]1C 1359015191 LDKPAOIZZZXMDS-NHCUHLMSSA-N 425.596 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CCCCC2)nc1 1359108645 WNKBDGAIVUXKFL-UHFFFAOYSA-N 446.599 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cccnc1OCC 1359114218 CTCVLVPSXKIFIV-UHFFFAOYSA-N 425.964 4.767 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1359146024 KYAWCYXHRORTGU-UHFFFAOYSA-N 445.310 4.823 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1359168126 ISLGHXFEGPCTDD-FYYLOGMGSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2csc([C@H](C)OC)n2)CC1 1359176009 ISGMPHPRDBJKCS-INIZCTEOSA-N 439.585 4.568 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCSC(F)(F)F)CC1 1359181006 BAOODJNRDXBZEH-UHFFFAOYSA-N 426.508 4.555 30 10 IJEE C=CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359212451 MBULODWSHFBIHY-QGZVFWFLSA-N 444.505 4.532 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1359222429 IMZODXWJPOWING-FDDCHVKYSA-N 443.979 4.794 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCc1ccc(Br)s1 1359254170 HWHBCAOWJOFMPT-UHFFFAOYSA-N 447.402 4.854 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCO1 1359264110 UVXDOVRVTSEDGY-FQEVSTJZSA-N 438.597 4.701 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CC(C)C)C1 1359311410 ZXLRUTMDOINYBA-JOCHJYFZSA-N 448.615 4.625 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2occc2C)C1 1359313892 SUJSCALDPYYADE-XLIONFOSSA-N 442.947 4.803 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3F)c3ccc(F)cc3)cc2C1=O 1359908622 AFGQFJKWYIVATN-UHFFFAOYSA-N 432.426 4.594 30 10 IJEE C#CCN(C(=O)c1ccccc1OCC1CC1)[C@H]1CCOc2ccc(Br)cc21 1360556907 HNUPMBZMAPRFLV-FQEVSTJZSA-N 440.337 4.837 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c1 1456034225 HLMXTWNUQHAWOZ-PGRDOPGGSA-N 426.919 4.812 30 10 IJEE C[C@@H](NC(=O)COc1ccc(Br)c(C#N)c1)c1ccc(Cl)cc1Cl 1459286780 APWKQTVTJPQXSL-SNVBAGLBSA-N 428.113 4.884 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n(-c2ccccc2)c1C 1460625454 FILORJUMYCSVBD-VWNXMTODSA-N 448.954 4.678 30 10 IJEE C#CCN(CC(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 1464730517 YONWCSFRLBVUIA-SFHVURJKSA-N 426.479 4.779 30 10 IJEE C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[C@H](OC1CCOCC1)c1ccccc1 1470557204 DQRSQLNJDCARMZ-WDNCENIBSA-N 433.552 4.560 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)C1 1472150428 IAVPQZHVTCSXRM-CPJSRVTESA-N 426.557 4.703 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)nnc1-c1ccc(F)cc1 1472931263 VSHPPFFOFCUTPN-GOSISDBHSA-N 446.910 4.960 30 10 IJEE C=CCn1c(SC[C@H]2CCCC[C@H]2C(=O)OC)nc2sc3c(c2c1=O)CCCC3 1472931742 YSTJAGAJIRMCTO-HUUCEWRRSA-N 432.611 4.594 30 10 IJEE C=C(C)Cn1c(SCc2cc([N+](=O)[O-])ccc2Br)nnc1-c1ccncc1 1473000056 KVLOPNIOOBVKLG-UHFFFAOYSA-N 446.330 4.879 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 1477773714 PFRUCSAMDGNVHB-UHFFFAOYSA-N 434.543 4.943 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)c1ccc(F)c(F)c1 1478470644 IQLDDGPKQPIKOZ-DEOSSOPVSA-N 427.539 4.932 30 10 IJEE C=CCC1(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)CCCC1 1479101926 HJDJMVJWMBLWDV-LOSJGSFVSA-N 433.596 4.851 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C(C)C)N2CCCC2)cc1 1492435869 BZGKQOHUXQHPEH-IFMALSPDSA-N 440.661 4.738 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCC1CCCC1 1495817588 AZCHOHYLZDRIAQ-OAQYLSRUSA-N 434.632 4.956 30 10 IJEE CCc1cnc(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)CC#N)s1 1498145129 GUEWSWCJIPTYTF-OAHLLOKOSA-N 428.993 4.522 30 10 IJEE CCN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1 1502178467 FVUWGSOOORYLDM-IBGZPJMESA-N 429.515 4.791 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC(C)(C)C)CC1 1507554995 BROAFFSIPDPYOJ-UHFFFAOYSA-N 448.409 4.623 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1507760714 FODJNAHUXKWOOG-OHUGHZGNSA-N 440.035 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC[C@@H](OC)C(CC)CC 1507769881 HLBIPSOVVDUBHR-RCZVLFRGSA-N 444.570 4.981 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)[C@H](C)C1CCC1 1507783233 ATLGWBSOVPKMJP-BEFAXECRSA-N 447.377 4.714 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(C)s1 1507794129 GNTBTJPVCRCXJS-PGRDOPGGSA-N 438.597 4.941 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(F)c(F)c1 1507808388 QQYNYGIYQONDQM-CVDCTZTESA-N 430.543 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1507817019 MFTKKNDKAMTDIB-SANMLTNESA-N 447.583 4.957 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CCCC2)C1 1507835430 ANOTWFRCJVZQAM-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1507841552 WYWBDDNMRAVPLC-GASCZTMLSA-N 437.357 4.532 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCC(c2cnn(CC)c2)CC1 1507870280 HEKAOUCWLCJUCO-UHFFFAOYSA-N 439.007 4.806 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=C)Br)CC1 1507908912 KINNVIHQMCDFSX-UHFFFAOYSA-N 431.378 4.785 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NC(C)C)CC1 1507913436 YXQXZWDGTVOLST-UHFFFAOYSA-N 441.620 4.531 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@](C)(O)c1cccs1)C1CC1 1507996205 UJLIBJBKOBKMSF-XMMPIXPASA-N 438.597 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)noc1C 1508009658 VXITUMKILLWCRM-UHFFFAOYSA-N 430.537 4.724 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C)C1)C(C)C 1508011366 QKRPRORGJCZPFB-KNQAVFIVSA-N 444.023 4.522 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)[C@@H]1C 1512284554 GPPKQBDDDUUXGP-UONOGXRCSA-N 442.386 4.924 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3CCCc3ccccc3)CC2=O)cc1Cl 1517443806 ICORMDSYPCVVGA-NHCUHLMSSA-N 435.955 4.578 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cn1 1533927166 CHGXZMOVDLLZKW-UHFFFAOYSA-N 448.479 4.749 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccccc1Oc1cnn(C)c1 1535433501 WACDCOOPXNHLQP-UHFFFAOYSA-N 428.286 4.792 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)cc2n1 1538562565 MLNVTNSWSKMNAM-UHFFFAOYSA-N 427.295 4.671 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(C)cc1 1538984781 PVTFHQZUTAEDOG-OAHLLOKOSA-N 429.387 4.778 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CC(CC)(CC)OC 1539541345 FDFNPHZTRWGPOC-RUZDIDTESA-N 431.584 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(CN(C)CC)c1 1539659510 ZZNZYCDHYTUGPP-UHFFFAOYSA-N 439.007 4.896 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1 1539701881 SPVYUMZNENIAEV-OAQYLSRUSA-N 440.979 4.690 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(OC)CC1 1539735968 VSRDJUCIHANQPD-JOCHJYFZSA-N 436.959 4.726 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1539835792 HIVFDRRUMANUMT-PKOBYXMFSA-N 441.576 4.648 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(CCc2cccs2)CC1 1539959692 OKASNPRPPRQNOU-UHFFFAOYSA-N 439.604 4.867 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2Cl)CC1 1540037031 ZMBKCIVGRCDSIJ-UHFFFAOYSA-N 429.996 4.508 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1540062324 KFZDMUYCYIAPDI-QFBILLFUSA-N 445.995 4.866 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1Cc1cccnc1OC 1540119748 MJEONAGNXWDLHR-UHFFFAOYSA-N 433.556 4.589 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1c(C)noc1C 1540125898 BZJPCQJRYOKSMC-XMSQKQJNSA-N 435.572 4.773 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(N(C)C)CCCC1 1540158415 GRQFGJFOASPNIY-UHFFFAOYSA-N 429.996 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCC[C@H](O)C1 1540174245 JQCXSJNTIICBNG-UNMCSNQZSA-N 438.616 4.884 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540186291 BHTKJCGEYSGSMY-XAPVIXHLSA-N 428.577 4.551 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1540881019 WZWRMOYCZHUKNB-FCHUYYIVSA-N 437.632 4.544 30 10 IJEE C=CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1540919943 JDINFDYIGGJIHG-VQTJNVASSA-N 449.020 4.578 30 10 IJEE C[C@@H]1c2c(sc(NC(=O)C[C@@H](C)S(=O)(=O)c3ccc(F)cc3)c2C#N)CC[C@H]1C 1544832163 BFPRFXHHWSODET-MCIONIFRSA-N 434.558 4.636 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC)[C@H]1C[C@@H](OCC)C12CCCCC2 1545049491 RCTAOLPSHPYJAW-PCCBWWKXSA-N 434.621 4.660 30 10 IJEE CN1CCC(Oc2ccc(CNC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cc2)CC1 1556551356 AEHLAPYCUYSFHB-UHFFFAOYSA-N 440.547 4.705 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1556559065 VTGKPXCEYCTRMO-UHFFFAOYSA-N 446.429 4.543 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1OC 1560862263 KJCOEOZUIYFGBB-QZTJIDSGSA-N 433.936 4.875 30 10 IJEE C=CCCC[C@H](C)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1561412486 ORBNQRMJHAWHMU-WDJPJFJCSA-N 447.044 4.972 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 1562403017 VURPHBWFZMBNBO-UHFFFAOYSA-N 445.585 4.614 30 10 IJEE CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)[C@H]1OC 1562436936 HKSZEZOROXINFD-MISYRCLQSA-N 449.429 4.683 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 1562543635 AFMDNUBQPLTELY-OAQYLSRUSA-N 439.924 4.637 30 10 IJEE CC(C)(C)c1cc(NC(=O)NC[C@H]2CCc3ccccc3C2)n(-c2ccc(C#N)cc2)n1 1562787726 AMFLAHXZVXTMLS-IBGZPJMESA-N 427.552 4.968 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1)c1ccc(F)cc1 1564858973 YEZAEMFDQPOOPN-VXKWHMMOSA-N 439.531 4.845 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1)c1ccccc1 1565277777 XPZQUONDJAMKSE-XMMPIXPASA-N 437.584 4.629 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)ccc2c1=O 1565670695 AYRWVSHABODGGI-HXUWFJFHSA-N 439.968 4.796 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCCc2cccnc21 1587563184 YRKMJPDOFAZGJI-NSHGMRRFSA-N 433.531 4.530 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C2CC2)C1 1587787939 SNRIDZIDMDEFJU-SFHVURJKSA-N 443.389 4.659 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(CC1CC1)C1CCC1 1589007993 RLWORLGKTBBCRV-UHFFFAOYSA-N 445.430 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCO1 1589242871 NITIDTRDNYLJRM-QFQXNSOFSA-N 436.600 4.850 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 1589547612 VGRFLUFLAOPLEW-KSFYIVLOSA-N 430.543 4.689 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nc(C2CC2)cs1 1594913609 LSCFGYWHQNKEQB-UHFFFAOYSA-N 448.365 4.851 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CC1(O)CCCCCC1 1595119827 GRPQYBGEBJVGGU-UHFFFAOYSA-N 431.584 4.542 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CCC 1595127298 LTWLUJAIENYDIP-QHCPKHFHSA-N 448.590 4.936 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1595211646 GLVJEFUDIJQGOH-AZUAARDMSA-N 429.609 4.760 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@](C)(OC)C2)cc1 1595639698 HJSPRRHSIDSAFI-DEOSSOPVSA-N 438.597 4.549 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCC2(C)C)C1 1595752884 DGNCPOMLDRMOTQ-XRXFAXGQSA-N 430.637 4.804 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCN(C(C)C)C1 1598500862 CMEZUJLVRAFLIH-QFIPXVFZSA-N 432.616 4.687 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[C@@H](O)C2)C1 1611764974 BURUGYDQQJUUMN-ZDPZECHZSA-N 448.398 4.933 30 10 IJEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(CC(C)C)C(C)C)cs1 1612424250 FHCSRQIAVYGOFL-UHFFFAOYSA-N 438.601 4.607 30 10 IJEE CCSc1cc(Cn2c(-c3ccccc3OC)nnc2N2CCC[C@@](C)(C#N)C2)ccn1 1617456199 CXKKGJVCIXFJNP-DEOSSOPVSA-N 448.596 4.639 30 10 IJEE Cc1ccc(C2=NO[C@@H](CNC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)C2)cc1C 1622866692 GIAYDKCHVKFGEY-JOCHJYFZSA-N 441.491 4.677 30 10 IJEE C#C[C@@H](NC(=O)CCCCCCNC(=O)OC(C)(C)C)c1ccc(Br)cc1 1625077719 GMWZXSMKOCRVSA-GOSISDBHSA-N 437.378 4.715 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)c1 1626559278 BQDPXBAUDHOOCZ-OAQYLSRUSA-N 443.977 4.718 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)c(OC)c1 1628109244 WAJICBCSCVZGSI-LBPRGKRZSA-N 434.323 4.863 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCSc1nccs1 1633052824 QRNABQOLXRAUSI-UHFFFAOYSA-N 444.395 4.925 30 10 IJEE C=CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 1634303165 YAOZKWJOJMDFTH-GDLUXTLDSA-N 443.503 4.687 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 1635730566 IVSDXCBSZPTJLA-QGZVFWFLSA-N 438.355 4.673 30 10 IJEE C=CCC1(NC(=O)CSCC(=O)Nc2cccc(Br)c2)CCCCC1 1636701543 LHJPVHZKCFOITN-UHFFFAOYSA-N 425.392 4.516 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1(C)C 1638563751 HKNZGJVIIDOYQC-YADHBBJMSA-N 449.551 4.967 30 10 IJEE C#CCN(Cc1cccc2c1OC(F)(F)O2)[C@@H]1CCOc2ccc(Br)cc21 1641794906 FVHKUUJWSRJQBJ-MRXNPFEDSA-N 436.252 4.730 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1OC 1645299960 JLMQPLXIJLNXSP-GJZGRUSLSA-N 437.403 4.773 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652349322 UTKSXZWXZKOINM-JKSUJKDBSA-N 445.654 4.508 30 10 IJEE C=CCn1c(SCc2ccn(-c3c(F)cccc3F)n2)nc2cc(Cl)ccc2c1=O 1652366126 ZRMZATPIGBPDTR-UHFFFAOYSA-N 444.894 4.992 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCNC3(C(=O)OC(C)(C)C)CCCCC3)c2C#N)C1 1655022544 AXOYMWOQCVJZQB-INIZCTEOSA-N 445.629 4.707 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3cccc(C)c3Br)nnc12 1655995158 VZSDEGDIMOXEMY-UHFFFAOYSA-N 441.354 4.593 30 10 IJEE C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)c1ccc(N2CCNC2=O)cc1 1658199892 ASFYLPZQYQICQA-UUOWRZLLSA-N 439.519 4.754 30 10 IJEE O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1C[C@H]1c1cccc(F)c1 1661109674 BAFHNWKFWOBOME-HRCADAONSA-N 441.368 4.923 30 10 IJEE CCCCn1cc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c(C)n1 1661359700 CIZKIBGIGWPMLX-UHFFFAOYSA-N 440.544 4.706 30 10 IJEE C#C[C@@H](NC(=O)Nc1cnn(-c2ccccc2F)c1C)c1ccc(Br)cc1 1668166573 GUJIZZXKMSIWEJ-QGZVFWFLSA-N 427.277 4.578 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1672455661 IYRYKNLWKCVDIK-FQEVSTJZSA-N 427.570 4.864 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 1673096617 FXCXVGXVRUHFHW-FXAWDEMLSA-N 426.561 4.583 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c(Cl)c1 1674760255 XLTBIVIPFUYBMW-UHFFFAOYSA-N 436.726 4.618 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1)c1ccc(F)cc1 1676996093 JZIAVKHBQRSHDN-HSZRJFAPSA-N 430.483 4.952 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 1677241268 UTSIAPNCSZTYSH-NRFANRHFSA-N 448.032 4.951 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1680750615 MCMKJGDONQELDI-DMJCMNNJSA-N 443.588 4.934 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 1683268339 VCAQWTYEYYQVOG-OFNKIYASSA-N 426.532 4.868 30 10 IJEE C#C[C@@H](NC(=O)N(C)[C@@H]1CCCc2nc(CC)sc21)c1ccc(Br)cc1 1683507481 FDKDECGLFFNYAW-NVXWUHKLSA-N 432.387 4.861 30 10 IJEE C#Cc1cccc(CNC(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)c1 1686218761 HWOORSOECUZDEV-UHFFFAOYSA-N 436.943 4.974 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@H](C)[C@H]1C 1689877355 XBCWJGNZMBTYDV-HZPDHXFCSA-N 433.419 4.841 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CCCC1 1689907033 YJYTZMMUMGQMFL-FQEVSTJZSA-N 429.609 4.923 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](CC)C1 1689938422 KZKYNSIWOZOCPT-INIZCTEOSA-N 439.412 4.909 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](C)C1 1690156069 ROYDWOUIXHFNJK-MAUKXSAKSA-N 433.021 4.901 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690227623 CTXQOHBSQJSAJF-UHFFFAOYSA-N 446.393 4.596 30 10 IJEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1690475062 DNMNCBVKUYKIGH-UHFFFAOYSA-N 429.572 4.513 30 10 IJEE CC1=C(Br)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1692879558 HZJHKUCDIDLRJD-WMZOPIPTSA-N 444.352 4.834 30 10 IJEE CCCOc1ccc(Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)cn1 1695462264 GJRRSMKFHPZIII-UHFFFAOYSA-N 444.583 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC2(CCCCC2)O1 1705480583 TXWMEGBWTVGTLI-FXAWDEMLSA-N 444.526 4.886 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC[C@H](COC)C1 1705524422 LQLSVUVXHNWZAY-OALUTQOASA-N 430.980 4.738 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Oc1ccc(C)cc1 1705670815 KHRYNDJJUQOLDD-HOYKHHGWSA-N 435.959 4.762 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H]1CCCCS1 1705860516 SAPSNYQJHRAWMF-JOCHJYFZSA-N 430.581 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1c(C)nn(-c2ccccc2)c1C 1705868546 RROOAJHVXZHFQE-UHFFFAOYSA-N 432.597 4.945 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2OCCC2(C)C)C1 1705919852 LVWXWZYAZYTYCM-YADHBBJMSA-N 438.616 4.839 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)c2ccccc2)CC1 1705944196 XOWOSIYGZVARME-UHFFFAOYSA-N 448.640 4.673 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1705944397 FFVYPFAHGVGPTG-SFTDATJTSA-N 437.613 4.520 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)C1 1706500064 HUBIGPKAACZVCS-ROUUACIJSA-N 447.002 4.701 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(OCCc2ccccc2)CC1 1722319499 NKDUEBCWDZQXDP-XMMPIXPASA-N 436.600 4.551 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722328538 WAJBJVJCSFLKCU-FGZHOGPDSA-N 445.567 4.501 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@H]1CCO[C@@H](C)C1 1722387856 MTBDBBXXBWVIRS-OALUTQOASA-N 443.016 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCOCC 1722493264 IRNNDOREWHRBRD-RBBKRZOGSA-N 426.605 4.697 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722611851 MNRXTOWXDZUCHR-IBGZPJMESA-N 432.515 4.800 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1722615124 IJFZBLCTOHWJDF-QFIPXVFZSA-N 426.561 4.542 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@H]1C(C)C)C1CC1 1722646116 DGPLIAPPJPSTEE-SVMVAKDDSA-N 428.552 4.773 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(OC)C1CC1 1722661370 CHIAAYYMMAPMFK-DEOSSOPVSA-N 433.581 4.886 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(C#N)CC3)n2C[C@@H](CC(C)C)N(C)C)cc1 1724456624 DHHNCTHJQPBADH-OAQYLSRUSA-N 440.661 4.595 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740568357 VUORTLQJOVKEQF-CZTZKLFOSA-N 426.536 4.509 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1740577470 FLQYHSPKNZNSNT-XMMPIXPASA-N 449.643 4.590 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740585560 VZMBPAMVNHBTRC-MOPGFXCFSA-N 448.640 4.709 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C2CC2)cs1 1740613412 HALPNUHNFGCJAL-UHFFFAOYSA-N 435.597 4.606 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCCC(F)(F)F 1740650005 LXUJRWDXEAHSBG-UHFFFAOYSA-N 439.279 4.513 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1CCC(OC)CC1 1740664823 FAGCONGFGQROGM-UHFFFAOYSA-N 448.567 4.782 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1740721748 SEPMINUPULFQQO-GGAORHGYSA-N 438.641 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](C)N1CCC(C)CC1 1740729416 GUUWLBZLFJCYNJ-NTKDMRAZSA-N 426.008 4.711 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1740783240 ZESFJOAPJITUPL-QGZVFWFLSA-N 425.602 4.978 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@](C)(OC)CC1 1740850551 LUTBSQGCEXTTDV-VWLOTQADSA-N 426.605 4.897 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](C(=O)NCCC)C2)nnc1C(C)(C)C)c1ccccc1 1740854793 JCWMJGMDWAZFPT-FGZHOGPDSA-N 437.632 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1CCc1cn[nH]c1 1740923617 QGTMNNPZHBGFLK-UHFFFAOYSA-N 438.988 4.742 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)Oc1ccccc1F 1740924028 CNWQIGNVCYRNHG-LAUBAEHRSA-N 442.560 4.990 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CSCCS1 1740925010 DQOMRSYHQITMFL-LPHOPBHVSA-N 434.606 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)cc1 1740925600 PKZQPLYMBBOXMW-UHFFFAOYSA-N 426.362 4.581 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1740927637 WDBFXIXKUDZZOD-GGAORHGYSA-N 436.648 4.911 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2cccnc2)C(C)C)C1 1740974751 PFWZYUPWQTWSPI-RPWUZVMVSA-N 447.583 4.570 30 10 IJEE CCN(CC)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCCCCC2)cn1 1746089170 GVPAGVLZRDTBSG-UHFFFAOYSA-N 443.599 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC1CCCCC1 1748666964 KXHBIZCSUUOPBA-IBGZPJMESA-N 433.556 4.797 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 1748738402 BGRCIMGXYJQSHI-APWZRJJASA-N 443.389 4.899 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H]1CC 1748837978 UCANXPWECFGFOQ-ZWKOTPCHSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1ccsc1 1748868482 XPPANAUSVBOKJV-OAQYLSRUSA-N 432.593 4.802 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1749046593 CCAQEHWDMTUZFF-SFHVURJKSA-N 445.032 4.893 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)C[C@@H]1CCCO1 1749123972 KCANLAJTVAYRKU-MMOPVJDHSA-N 448.970 4.724 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1749251577 GZKRLJKBUWMQAU-IPMKNSEASA-N 448.970 4.953 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)CC1 1749277556 GFTBGNLGXNIPGJ-UHFFFAOYSA-N 425.758 4.608 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(C(F)(F)F)c1 1749387327 YFIXGPYAUUBKEU-SFHVURJKSA-N 437.510 4.817 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1749424416 IDWRVADKLUJXIH-HXUWFJFHSA-N 433.531 4.853 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1749447600 IOQRHDINAUDUSO-INIZCTEOSA-N 428.483 4.841 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@H]1CCO[C@@H](C)C1)C1CC1 1749508388 PTAVGCOBVFCCFF-FHWLQOOXSA-N 428.552 4.917 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CC1(O)CCCC1 1749545186 WZBCYTPBURBCQC-UHFFFAOYSA-N 426.561 4.567 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N(C)CC2CCCC2)cc1 1749685616 ICDGEQKMWNFKFQ-UHFFFAOYSA-N 437.613 4.873 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2cc(Br)ccc2F)o1 1751469218 DRHSRYWFOMYZSI-CYBMUJFWSA-N 446.324 4.587 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC(C)(C)C2)C1 1752089027 BFJBBEVVHPDLCQ-NFBKMPQASA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1760103955 OTQSGKXALFYDTN-HKUYNNGSSA-N 449.555 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccncc1Cl 1760104498 ZLXPTAFJIOPTHI-OAHLLOKOSA-N 425.989 4.830 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(OC)CC1 1760130767 LQHBRNXUNDHDCC-DVECYGJZSA-N 428.552 4.756 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1760146637 RKFNGLZWQCLCKY-IRLDBZIGSA-N 448.640 4.573 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)CC(C)(C)C1 1760326199 WADPISSHJLSATB-LEDOBFOHSA-N 426.580 4.862 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760368437 BNUXJVZWDFWJIV-VQTJNVASSA-N 430.980 4.880 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2cccc(C)n2)CC1 1760399265 GRTYGWOHZTWPFA-UHFFFAOYSA-N 447.583 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1760411515 OAHCNPJFKWWNLQ-GOSISDBHSA-N 448.615 4.667 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760439844 VPCXRIPSCUKEDN-HSZRJFAPSA-N 439.623 4.923 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1N(C)CCCC1(C)C)C1CC1 1760470863 FSAFJFGCQUACIY-GCJKJVERSA-N 441.595 4.832 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C)C1)C(C)C 1760488074 LERYSSDAGFDWMI-DENIHFKCSA-N 444.023 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccc(Cl)nc2)C1 1760536076 BYIMCAGZNQBGCZ-NHCUHLMSSA-N 437.975 4.698 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](C)N(C)C1CC1 1772523306 QKKYKDMSSCAFSV-KDYSTLNUSA-N 449.643 4.845 30 10 IJEE O=C1C(=NO)c2cc(Br)ccc2N1Cc1ccccc1OCc1ccccc1 1772729080 VQBQHWAPGODCPR-UHFFFAOYSA-N 437.293 4.753 30 10 IJEE CCOc1ccccc1NC(=O)CSc1nc(O)c(C#N)c(-c2ccccc2Cl)n1 1860827675 YSMMZJHDWIEEAA-UHFFFAOYSA-N 440.912 4.504 30 10 IJEE C=CCNC(=O)[C@H](CCC)NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1861547907 XCRMFQALBFPQFW-GLBTYYSXSA-N 426.944 4.519 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)ccc1O 1862462240 XVPQXAASHPXWMM-BIBXISHDSA-N 449.425 4.585 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(O)c(O)c1 1862548517 UDJGQHDPELMRGC-QHCPKHFHSA-N 435.520 4.601 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc3cc[nH]c3c2)cc1 1862561277 RUDCYKMIVFMOKD-XMMPIXPASA-N 437.499 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 1862625993 RJGKMJVEKBZLME-QHCPKHFHSA-N 449.503 4.812 30 10 IJEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862666652 JDJMTKVPEDOAOD-JOCHJYFZSA-N 435.520 4.831 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(C)c1 1862674563 OXPHZRVIQKMWRO-QFIPXVFZSA-N 425.500 4.919 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(C3CCCCCC3)C2=O)cc1 1863210992 WTLCLJDGWQZBQO-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1ccccc1F 1864066483 NOOBQQQTBJXKAI-FQEVSTJZSA-N 428.552 4.522 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(C)C 1868848960 OXUUFBPKEHVMHN-UXHICEINSA-N 435.406 4.530 30 10 IJEE CCCCCCCOc1cn(CCCN2CCCC2=O)c(CNc2ccccc2)cc1=O 1870831775 KGJSBBSOBDXMCX-UHFFFAOYSA-N 439.600 4.822 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1Cl)C3=O 1871349830 WEVMPTYAKPTXSD-HMAPJEAMSA-N 426.944 4.840 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3C[C@H](C)O[C@H](C)C3)C2=O)c2ccccc21 1871395319 NQAVKEZBOUZJBS-YXMPVBMLSA-N 432.520 4.592 30 10 IJEE Cc1c(OC[C@H]2CCCO2)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871450239 RQXMUVMSKUYVQM-YMBPQHFPSA-N 428.868 4.689 30 10 IJEE CCCCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2CCN(C)CC2)n1 1871479311 OJWPDHSFKUXMOF-UHFFFAOYSA-N 439.652 4.650 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCN2CCCC2)nc(Nc2ccc(C(C)C)cc2)[nH]1 1871507426 VWKQNLFUQYYVHR-UHFFFAOYSA-N 449.647 4.627 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871800166 RHYHWUPCUKVUBJ-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1871866268 DUYVGOXXGQBQJE-JOCHJYFZSA-N 442.487 4.522 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1871972880 MBJLUOLCDULKNZ-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE N#Cc1ccc(NC2=C(c3c(Cl)cccc3Cl)C(=O)N(Cc3ccco3)C2=O)cc1 1873285058 KVALFZDRIWYQDG-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(OCC)c(OCC)c1)n2CCCC 1873612978 QIQKADRVQVQLQD-UHFFFAOYSA-N 437.544 4.879 30 10 IJEE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc3c(=N)[nH][nH]c3c2)cc1C 1873793103 WYAUHOONFJIHAE-MZJWZYIUSA-N 437.507 4.591 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCCc2ccccc2)n1/N=C/c1ccccc1 1874296792 SMBYUCWRBAIZRF-XIEYBQDHSA-N 443.532 4.994 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2/N=C/c2ccc(C(C)(C)C)cc2)c(C)c1 1874329421 OFJGOHXTPKNIOF-MFKUBSTISA-N 438.597 4.738 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1ccc(C(=O)O)cc1 1874342356 LOFBFJKUHKEMBD-FSJBWODESA-N 426.929 4.771 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccc(C)c1 1874391842 VGBLTYNXCDWYMA-DUYBAWCLSA-N 435.597 4.581 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2ccccc2F)o1 1874437998 DOOGENKGTFBMJB-FSJBWODESA-N 430.505 4.560 30 10 IJEE C=CCSc1nnc(CCOC)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874472916 DAPYFZJNGYVJOC-BUVRLJJBSA-N 442.972 4.860 30 10 IJEE CC(C)Cc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc2ccccc12 1874487481 GADLDYFTPQTNOY-VULFUBBASA-N 447.564 4.514 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C2CCC2)cc1 1874497640 SWJZYCLVXXPPEF-YDZHTSKRSA-N 430.574 4.508 30 10 IJEE CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccccc1Cl 1874523944 PJXKNHPXMMQAJS-FSJBWODESA-N 427.961 4.724 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(Cl)cccc2Cl)cc1 1874530396 GWNOZNAECIQJPO-LSHDLFTRSA-N 434.352 4.815 30 10 IJEE CCCc1ccc(OCc2nnc(S)n2/N=C/c2ccc(Br)cc2)cc1 1874566624 GISMDLXDJLHCHV-CIAFOILYSA-N 431.359 4.743 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 1874569654 BZFLCGJGLJPCMI-SOFGYWHQSA-N 448.269 4.585 30 10 IJEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OCC(=O)Nc3nccs3)c([N+](=O)[O-])c2)c1 1874618073 IXPAKRLJLDNNQK-FNORWQNLSA-N 437.477 4.582 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1875129006 GLJJBUOZGWWFEE-UKTHLTGXSA-N 446.459 4.785 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)cc(C)c2OC)ccc1OC(=O)c1cnc(C)cn1 1875171534 AVKOMGDJEUQMNS-SOFGYWHQSA-N 432.476 4.534 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc21 1890684598 HJLXUFVWFSZGOO-UHFFFAOYSA-N 434.414 4.775 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H](CC)c3ccc([N+](=O)[O-])cc3)cc21 1891484997 POAUHZHXTWAMBV-LJQANCHMSA-N 437.496 4.665 30 10 IJEE C=CCC1(NCC(C)(C)N(C)C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924552051 PZNULPHQUUEZJO-UHFFFAOYSA-N 425.614 4.567 30 10 IJEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(c2cc(Br)c(C#N)cc2F)C1 1965620086 ABNOUHFCXYSWCD-TZMCWYRMSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(C1)CN(c1c(Br)cccc1C#N)C3 1965686421 QMYHRDBFKUJZAJ-OYRHEFFESA-N 432.362 4.548 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1991570812 FYAXFKWJDYGLHS-IFXJQAMLSA-N 435.487 4.715 30 10 IJEE CCN[C@@H](CC#CC1CCCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2032503284 QCXXLUAXXQOYTI-LOSJGSFVSA-N 441.660 4.964 30 10 IJEE CN(CCN(CCC[C@@](N)(C#N)c1ccccc1)Cc1ccccc1)Cc1ccccc1 2034738880 BZUGCPVCHQGCBR-MUUNZHRXSA-N 426.608 4.779 30 10 IJEE CC[C@H](c1ccc(C)cc1F)n1nc(C(F)(F)F)c(C#N)c1I 2079128045 YHKDNJYBLMUNBW-GFCCVEGCSA-N 437.178 4.825 30 10 IJEE Cc1cc(C)c([C@H](C)n2nc(C(F)(F)F)c(C#N)c2I)c(C)c1 2079849485 XXESUQGJDBFEAW-NSHDSACASA-N 433.215 4.913 30 10 IJEE CC[C@@H](CCCC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2085166973 MTACKKWZNLWTNN-ROUUACIJSA-N 438.418 4.545 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1)NCC 2110503406 JVBOXSUWFURNCU-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(c3cc(Br)cc(C#N)c3)C2)C1 2174812609 MUHJJNRBYAFDII-OAQYLSRUSA-N 434.378 4.938 30 10 IJEE CSCC1(NC(=O)OC(C)(C)C)CC(Nc2ccc(C#N)c(Br)c2)C1 2222998935 QZEOZZHPNWARJJ-UHFFFAOYSA-N 426.380 4.522 30 10 IJEE CC#CC[C@H](COc1ncc(C(F)(F)F)cc1Br)NC(=O)OC(C)(C)C 2232223266 QSCCSEJNPJUXIK-GFCCVEGCSA-N 437.256 4.548 30 10 IJEE CC1(C)OB(c2cc(Oc3cc(F)c(Br)cc3Cl)ccc2N)OC1(C)C 2283011707 JCNSRROJZBWHPA-UHFFFAOYSA-N 442.521 4.915 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)C#Cc3ccccc3Br)C[C@H](C2)C1 2286605619 FUICDWBFBOUUOU-HOTGVXAUSA-N 432.358 4.653 30 10 IJEE CCOc1c(Br)cc(C=C2SC(=Nc3ccccc3)NC2=O)cc1OC 2293746744 YKEDVPVEAXUORW-UHFFFAOYSA-N 433.327 4.748 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2296218167 BHKRBNGKWBCONP-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2296218178 BKLZXJJETGLXSH-WSTZPKSXSA-N 435.406 4.720 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC[C@H]1CCCN1C(=O)OC(C)(C)C 2296219363 NGIMEMNRBSFXMM-VQTJNVASSA-N 435.406 4.958 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1cccc(F)c1I 2296223560 BGEDBPOFLQHPHD-HNNXBMFYSA-N 444.085 4.505 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2296844751 CQQPLBLAOYEUCQ-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CC(C)(C)C#CC[S@](=N)(=O)c1cc(I)ccc1Br 2316472668 OAKVWHCVRLXBOI-SFHVURJKSA-N 440.144 4.509 30 10 IJEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317349195 YMKTWBWMJVWZAC-QFQMRYFISA-N 431.386 4.687 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1OCc1cccc(Cl)c1 2321755919 VMOFJCHZHZJNGX-UHFFFAOYSA-N 442.850 4.709 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)cc1 2322680255 WNRMYCHLIOSIBU-UHFFFAOYSA-N 428.440 4.925 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2322724622 QVBGGDLPGPQLRE-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2C1=O 2323331614 VFUREEHNGAVNTC-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1 2323832011 ASBWAAZWGLCTRE-UHFFFAOYSA-N 439.895 4.923 30 10 IJEE O=C1C(=Cc2cccc(F)c2)Oc2c1ccc(O)c2CN1CCC(N2CCCCC2)CC1 2324210033 LEVDZCTXKPSJFX-UHFFFAOYSA-N 436.527 4.598 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(Cl)cc2Cl)o1 2325628158 AYQDPHFOQYDFIF-UHFFFAOYSA-N 439.324 4.838 30 10 IJEE COc1ccc(OCC(=O)Oc2cccc(C=CC(=O)c3cc(C)ccc3OC)c2)cc1 2325743594 ZPGLUFAIBFCMMC-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3F)c2)c(OC)c1 2325760894 LZNSYQALZNQKNQ-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCOc1cccc(C=Nn2c(CC)nnc2SCc2c(F)cccc2Cl)c1O 2326570049 DLHSZYCBZBGHPA-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(CC)cc1 2326750005 QAIDTKJDCCKMQF-UHFFFAOYSA-N 436.581 4.999 30 10 IJEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC1(F)F 2327090184 BNDWMCNOVLBCFF-DQEYMECFSA-N 440.582 4.538 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cccc(OC)c1OC 2328798699 RPHBWLHCIUCPFP-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE COc1ccc(C=Nn2c(Cc3ccccc3F)nnc2SCc2ccccc2)cc1O 2329741244 NAVSSIRBGWCSMA-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1ccccc1Cl 2330448701 RUOYFGQEWHIRHD-UHFFFAOYSA-N 434.974 4.511 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)COCc1ccccc1 2330649429 YFXXSSXGYSARLJ-UHFFFAOYSA-N 447.443 4.622 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccc(OCCC)cc1 2330705588 VMBGASOSGJWKPD-UHFFFAOYSA-N 438.553 4.661 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2ccccc2Cl)nnc1C(F)(F)F 2331138380 ZAROPJIGYWUNHL-UHFFFAOYSA-N 440.834 4.823 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1cc(C)ccc1O 2331328794 LVNGXRXXMMSSKJ-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)OCCC)cc1 2331474893 VNEJOCIAZABVOZ-UHFFFAOYSA-N 446.617 4.973 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc(Cl)c1OC(=O)c1cnccn1 2331532240 RFOHKYVOYCQWOV-UHFFFAOYSA-N 426.831 4.783 30 10 IJEE N#Cc1ccc(Nc2cc(F)c(I)c(F)c2)c(Br)c1 2341214439 LSZOOQXUJQRVKR-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CC#CCCCC[C@@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366642741 RIEZCMKZILZDAP-TZMCWYRMSA-N 425.763 4.601 30 10 IJEE Cc1cc(CN[C@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@H]23)ccc1B1OC(C)(C)C(C)(C)O1 2369697236 NFMQYPVHWZSSHU-IGRGDXOOSA-N 447.428 4.768 30 10 IJEE C=CCn1c(SCc2nc(N)c3c(C)c(C)sc3n2)nnc1-c1ccccc1OC 10533176 KWSILLYDPKZMRK-UHFFFAOYSA-N 438.582 4.636 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2)n1)N(c1ccccc1)c1ccccc1 21036512 YILRSLRNLKGDLD-LFVJCYFKSA-N 428.521 4.708 30 10 IJEE N#Cc1cc2c(nc1SCC(=O)NCCc1ccccc1)CC[C@H](c1ccccc1)C2 34859308 PEJTWVUYPBSZQN-NRFANRHFSA-N 427.573 4.677 30 10 IJEE CCCCOc1ccc(/C=C2\S/C(=N/c3nnc(C)s3)N(CC)C2=O)cc1OC 39866204 ZCNOLWWQZKMADX-WIQPNEMMSA-N 432.571 4.658 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(OCC)c(OC)c1 39898635 NHKWOWBCLCNROC-JOCHJYFZSA-N 439.899 4.574 30 10 IJEE O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 41652659 READWAFYKSJWMP-AQHIEDMUSA-N 431.419 4.523 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)c1ccc(Br)cc1 59016210 ZRVVTUJVFYSGTD-HJETYCPDSA-N 442.342 4.653 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n[nH]1 59891227 QXYLTQWFQZGWJA-YZSQISJMSA-N 436.585 4.781 30 10 IJEE COc1ccc(Cc2nc3sc(C)c(C)c3c(=O)n2Cc2cccc(C#N)c2)cc1OC 96533650 FFLUJIQKWCFWOQ-UHFFFAOYSA-N 445.544 4.603 30 10 IJEE Fc1ccc(NC(=S)N/N=C2\CCC/C(=N\NC(=S)Nc3ccc(F)cc3)C2)cc1 96838235 NBWMGXAVTIVROQ-RPCRKUJJSA-N 446.552 4.524 30 10 IJEE CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1nc(C#N)c(C#N)nc12 101107583 NLUDLNFDCNOYJL-LXGOIASLSA-N 446.725 4.974 30 10 IJEE CCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1OC 102607019 ZXZSYZGJQKUJAS-LCPUNJGISA-N 429.900 4.579 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1OC 102906978 DUPQARZSTSKFSM-UGUGFTGJSA-N 429.472 4.639 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(O)cc2)s1 169964305 QGKBWCUNSVBYQX-GOSISDBHSA-N 442.443 4.527 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170066856 HIRNPBPWABXGHV-ZJSXRUAMSA-N 447.531 4.502 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccccc2F)cc1 170071235 ZAWSYAHKGYDGEW-QHCPKHFHSA-N 437.430 4.962 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2c[nH]c3ccccc23)cc1C 170077044 VCXZMYZLDXLTET-XMMPIXPASA-N 437.499 4.958 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccco2)cc1 170091767 FAHVOUJBZXIHNE-QFIPXVFZSA-N 433.460 4.642 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2ccco2)cc1 170097138 NSCBMFTYAQHVEW-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(OC)c(OC)c1 170126358 SZUCBYYTEWXFHW-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1 170162327 YITWZUMSUHWKPR-GOSISDBHSA-N 429.881 4.782 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@@H]1c1ccccn1 170172848 FJVLGAWNGTZANM-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@@H]3c3ccccn3)ccc2O1 170174076 KUEYWFXPGLGIIT-RCDICMHDSA-N 446.890 4.841 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2ccncc2)cc1 170201821 FCAHKXGUYFXCQN-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)ccc1OC(C)C 170230186 WDOLVTAWMHFWSG-OFNKIYASSA-N 435.520 4.540 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1OC 170239501 OZMYNVFEOHPYIF-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccccc2F)c1 170248636 UAJOHNOHLFFMPE-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cc(F)ccc2F)o1 170306292 ZFTDMIVOXNIWTF-OAQYLSRUSA-N 437.398 4.584 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC)c(O)c1 170321981 MOWVKJJZDOLWKL-QFIPXVFZSA-N 439.508 4.566 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C)c2)cc1OC 170363124 XNFORTUOKHDETO-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)COc3ccc(C)c(C)c3)cc(C)c2c1 170536288 XHOOTEVQYPCFTD-UHFFFAOYSA-N 439.519 4.852 30 10 IJEE C=C(Br)COc1c(Br)cc(C[C@H](N)CC)cc1Br 233886546 LDYUNPAJXYPOQI-SNVBAGLBSA-N 441.989 4.779 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)c(Br)c1)NCC 406890870 GLLMBAWJFWLVGK-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCC 407016061 QOIGTZJWVALQLW-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE N#CCC1(CNC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 430444286 ACGDAQGTZAIVHU-UHFFFAOYSA-N 433.943 4.728 30 10 IJEE COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC2CCC(C#N)CC2)c1 441145708 LZUREFULZJDPTD-UHFFFAOYSA-N 428.536 4.667 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 446114284 ZQMPEULPERFCHL-FQEVSTJZSA-N 443.429 4.604 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cc1C 464993157 DJDYAELNJKSGCH-FQEVSTJZSA-N 438.535 4.757 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc(-n2cccn2)cc1 502659872 AZFOBZGSVFBFGL-UHFFFAOYSA-N 429.293 4.994 30 10 IJEE N#CC1CCC(CNC(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 508371343 YKCCASGJQBKQLJ-UHFFFAOYSA-N 432.293 4.835 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 508473480 ORGKVBQOBGKPPV-QGZVFWFLSA-N 448.017 4.753 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@H](COCC)C1 508700705 TYHZWMXHUWYMGN-FQEVSTJZSA-N 436.531 4.712 30 10 IJEE C=CCCCN(C)C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 522951116 KXXUYKCAFZDGDB-RCZVLFRGSA-N 436.552 4.613 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc([N+](=O)[O-])o2)cc1 526604229 LKQGJXRXKCSISE-NRFANRHFSA-N 431.404 4.515 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccccc3Cl)=C(SCc3ccco3)C2=O)cc1 526668783 RSCMENUHHKRACD-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C\c1cc(OC)c(OC)cc1OC 526807404 ZTEOROCYCHKASN-FMCGGJTJSA-N 446.960 4.694 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccccc4F)C3)n2Cc2ccccc2)cc1 555175046 PZWBFYCSULFKQU-XMMPIXPASA-N 439.494 4.582 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cccs2)CC1 559161818 WWDSHXFUDKSIPF-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 571210031 URIMERVVFHPQLO-IBGZPJMESA-N 425.540 4.595 30 10 IJEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H]1c1cc(Br)ccc1OC 579894354 RVQSIEVWZOSDAT-QGZVFWFLSA-N 429.318 4.837 30 10 IJEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 619742133 IQKAGPBXUBKKDH-UNMCSNQZSA-N 433.512 4.643 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1ccccc1C(F)(F)F 727233173 HYHUDHLVKQSNTM-YOEHRIQHSA-N 432.442 4.945 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3csc(C)n3)s2)c1 733806283 YFXFPXSHOXFRAP-MRXNPFEDSA-N 426.567 4.860 30 10 IJEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1OC 743804907 ZWJMRVPJHNJITI-ICSRJNTNSA-N 428.529 4.817 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2cccc(C(F)(F)F)c2)[n+]2cccc(O)c2)cc1 762440258 VFDPBIIPWRWFIC-UHFFFAOYSA-O 442.442 4.893 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H](C2CCCC2)C(F)(F)F)nnc1-c1ccco1 769697028 OBTMDYFHUCFVMW-INIZCTEOSA-N 429.464 4.871 30 10 IJEE N#Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)ccc1F 803117440 WNKXSRXKSWXQGL-QFIPXVFZSA-N 440.421 4.675 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@@H]1CSCCS1)c1ccc2c(c1)OCO2 1124212711 RPAHHDCTXXKEDM-LJQANCHMSA-N 443.590 4.752 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)ns1 1124511110 VVPKUEDWBDVWGL-UHFFFAOYSA-N 442.338 4.741 30 10 IJEE N#Cc1cc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)cs1 1125991983 IAXHAXLWQDMXQT-JOCHJYFZSA-N 436.581 4.949 30 10 IJEE CCCc1c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)nnn1-c1cccc(Cl)c1 1127640102 AUVOYFDZQSMZQC-UHFFFAOYSA-N 431.927 4.674 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1OC 1127895161 MOKCDQWLDYODDS-WEVVVXLNSA-N 441.325 4.833 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1130100507 IPFIBQFOFMTKFZ-HNNXBMFYSA-N 444.482 4.890 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)c1ccccc1 1180150857 SKSHZLDNEUVYPA-PMERELPUSA-N 444.915 4.982 30 10 IJEE COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2cccc(CC#N)c2)cc1OC 1188644285 GGCVDNWNECZKLU-XMSQKQJNSA-N 442.581 4.539 30 10 IJEE Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1191155510 GMVWGQHVAOMURG-WIYYLYMNSA-N 430.552 4.743 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2sc(C)cc2C(=O)OCC)Cc2ccccc2)c1 1192139360 CXXBXZXIXNGZHD-UHFFFAOYSA-N 432.545 4.860 30 10 IJEE Cc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccccc1 1205652368 HRELJJQIQNWVME-QGZVFWFLSA-N 434.521 4.550 30 10 IJEE COc1cc(CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C2CC2)ccc1O 1214964976 AYHHFWBFUPZKAI-UHFFFAOYSA-N 430.464 4.656 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@H]1CC)c1ccccc1 1252448926 MGZVMJRTYVYSOL-SMIHKQSGSA-N 433.552 4.582 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 1265134799 JIZLCPAXFMZNNB-LJQANCHMSA-N 448.441 4.922 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC1CCCCC1 1286499224 GFNPFPTXEOURLP-UHFFFAOYSA-N 434.613 4.718 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(CCC)CC1CC1 1286539946 GMZRBAWFFPZKRY-UHFFFAOYSA-N 425.321 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1cccc(Br)c1 1286549337 XNOBCXMPVPQMEX-IEBWSBKVSA-N 433.394 4.782 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1286551879 JNNPCEGDUARKEH-FCEUIQTBSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(CC)[C@H](C)C1CCC1 1286563758 DWYYLILLBBBFTR-WWEVIYMKSA-N 442.579 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H](CC)N1CCc2ccccc2C1 1286571923 UMVBJQHFVMZFMG-XMMPIXPASA-N 430.600 4.579 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1CC[C@H](C)C(C)(C)C1 1286613401 ZLAZZQBWCQMDHW-FQEVSTJZSA-N 426.605 4.885 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1286669649 MUZLHLUQLNODEP-UHFFFAOYSA-N 433.556 4.680 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CCSC 1286672081 GJVYAAQPTPGJNY-XLIONFOSSA-N 430.618 4.971 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1cc(Cl)ccc1OC(F)F 1286754328 UEOLOCGRLOPSTB-UHFFFAOYSA-N 431.874 4.822 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)c1ncc(C)s1 1286766993 BIQJZXLHEWZSNE-KRWDZBQOSA-N 448.596 4.701 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCOC[C@H](C2CCC2)C1 1286798608 JRFJKOXGZAMQMT-JOCHJYFZSA-N 438.616 4.733 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1293361753 BGDFEYYFCRBOKF-PKTZIBPZSA-N 434.632 4.954 30 10 IJEE C#C[C@H](NC(=O)C1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CCS2)c1ccc(Cl)cc1 1298924184 BKWKRYAHXCJSKV-SYTLLRCSSA-N 449.016 4.700 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1300277078 WJGVPMPHQMIXFT-SGMGOOAPSA-N 444.299 4.787 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1300407925 FTQGISTZVUASNH-FQEVSTJZSA-N 432.490 4.946 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](C)Cc1cccs1 1300446139 GPSGTYKCNAHCSR-GOSISDBHSA-N 438.597 4.751 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H]1CCCCC1(F)F 1300448791 GQKGLBOKBUFSED-GOSISDBHSA-N 432.515 4.637 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1300742629 PSROANDYAQHBNA-NQIIRXRSSA-N 426.630 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(CCOC)CCCC1 1300907642 NGKGTYWMYQPGJF-UHFFFAOYSA-N 426.561 4.673 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](COCC)C1)c1ccccc1 1301165890 MCEUVAXTGCEHTE-JTHBVZDNSA-N 431.584 4.871 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301208468 XJQATIDSPTVPOC-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCC(C)(C)COC 1301277923 DEMSLIGIFHUADK-UHFFFAOYSA-N 427.412 4.844 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCC(F)(F)CC1 1301531516 OLLURGVWAFZELT-UHFFFAOYSA-N 430.524 4.779 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC(OC2CCCC2)CC1 1301603585 CREONINAOKLDJB-UHFFFAOYSA-N 430.593 4.931 30 10 IJEE Cc1ccc(CC(=O)N2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 1307446034 BCSDINPKOOZKAV-UHFFFAOYSA-N 437.587 4.582 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 1310862094 CYIKTIZMMQHVAD-QFBILLFUSA-N 444.373 4.971 30 10 IJEE C=CCc1cc(CNC(=O)CCc2ccc(C)cc2Br)cc(OC)c1OC 1357247526 ZVANOBQYSBUMED-UHFFFAOYSA-N 432.358 4.752 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCCN1CCC 1358899218 JIYHFUQBBFLRCC-RTWAWAEBSA-N 425.646 4.601 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1358922906 WEALYCDPYYMUCA-JOCHJYFZSA-N 446.473 4.634 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccoc1 1359020716 NUTOQQJDBKYLLI-UHFFFAOYSA-N 436.512 4.540 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)CCC 1359089550 KVYGGXLYFGDRMO-DJIMGWMZSA-N 427.431 4.978 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](CCOC)C1 1359118805 DVBNLGULGOFNJK-CQSZACIVSA-N 439.785 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H](OC)C(F)(F)F)CC1 1359162389 PBPRVLVIZSLFCJ-INIZCTEOSA-N 432.849 4.861 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cscc2C)CC1 1359173096 UPQDYPFHDMIEND-UHFFFAOYSA-N 435.597 4.968 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1359177012 XKGCGUXJQRUPRL-DEOSSOPVSA-N 449.599 4.861 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2CCc2cccc(C)n2)CC1 1359182102 SIXMIDHXCUQYGS-UHFFFAOYSA-N 447.583 4.604 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)(C)CC1 1359223585 PXGWIEOOXWPQBN-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OC 1359262208 MDYYVAUMADKNCE-UHFFFAOYSA-N 442.548 4.523 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1c[nH]c2ccccc12 1359341783 HOOGXEOBZIWTNI-GOSISDBHSA-N 425.602 4.599 30 10 IJEE C=CCC(C)(C)C(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1360057382 NNISQSRRVJBAQJ-IBGZPJMESA-N 430.545 4.784 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)Cn2ccc3ccccc3c2=O)c1 1360229032 FDSDOWFOOQCQEV-UHFFFAOYSA-N 427.891 4.760 30 10 IJEE C#CCN(C(=O)c1cnc2ccccc2c1C)[C@H]1CCOc2ccc(Br)cc21 1360556726 AWUXLVUNQFSWQP-NRFANRHFSA-N 435.321 4.905 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)C(C)(C)C)cc1 1435953129 GFNRUQBDVOPCEI-XMMPIXPASA-N 438.568 4.655 30 10 IJEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 1437268100 AJYYHDBTIMCGRK-JOCHJYFZSA-N 448.320 4.815 30 10 IJEE C#CCSCCNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1444382920 GRBODQLMGZGTHS-UHFFFAOYSA-N 425.351 4.761 30 10 IJEE COc1cc(CNC(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)nc2O)ccc1C#N 1449080399 MXERXFNRZFKSRA-UHFFFAOYSA-N 442.519 4.528 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccccc1OCc1cccc(Br)c1)C(=O)OCC 1449695921 NWUDRAHFRUBXFS-LJQANCHMSA-N 446.341 4.656 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 1451179317 OFQZXRSLAASDPF-MRXNPFEDSA-N 431.113 4.993 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)c2ccccc2SCc2ccc(Br)cc2)C1 1455701765 FIQAXVVFQFOCJN-LJQANCHMSA-N 443.410 4.569 30 10 IJEE N#Cc1ccc(OC2CCC(Nc3nc(C(F)(F)F)c(Br)s3)CC2)nc1 1458252585 GVOZGXJZTJQNGN-UHFFFAOYSA-N 447.280 4.993 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C)C2CCCCC2)nc2sc3c(c2c1=O)CCCC3 1458815894 HJXJYJAEXUOYRO-OAHLLOKOSA-N 445.654 4.795 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1461033696 RPQVQJBHWXOKOV-MFSJNOQSSA-N 430.976 4.885 30 10 IJEE C#CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 1463009071 OHICUUZJXHKRGL-IBGZPJMESA-N 432.398 4.689 30 10 IJEE CN([C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc(F)c1C#N 1463428872 FBXXVMLJMBDDMN-YJBOKZPZSA-N 426.435 4.673 30 10 IJEE C=CCC1(CNC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCCC1 1467991103 IANARAIOUABQFP-UHFFFAOYSA-N 435.524 4.758 30 10 IJEE C#CCN(C(=O)NCCOc1ccc(Br)cc1)[C@@H]1CCCc2ccccc21 1468395965 YUPNRIJFBSNPBC-OAQYLSRUSA-N 427.342 4.550 30 10 IJEE C=CC[C@@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1)c1ccncc1 1468884619 OXTMTPPPFSQGOB-OAQYLSRUSA-N 430.593 4.815 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCc2cc(OC)ccc2C1 1469529202 WCWLQCSIGKYXNU-IBGZPJMESA-N 447.348 4.852 30 10 IJEE C[C@@H](NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)c1cccc(C#N)c1 1471867830 BWCGESUSKSSPQQ-OAHLLOKOSA-N 440.569 4.620 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 1472800022 GKMWIURTOOCDRJ-PZJWPPBQSA-N 442.604 4.539 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(N3CCN(CC)CC3)cc2C)cc1OC 1473949654 SZMVJCKUZUSYPR-UHFFFAOYSA-N 429.992 4.976 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1478900477 LRWHQBFCPLHASO-RBUKOAKNSA-N 441.856 4.774 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N)OC 1496515220 CIYFZMSPTSHQBX-HNNXBMFYSA-N 434.382 4.651 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1507556389 IEWGUVLPDYBQGY-FIXSFTCYSA-N 436.600 4.844 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN(C)Cc1ccccc1 1507606836 YWYZUJWYZFHEOU-HXUWFJFHSA-N 447.652 4.723 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CC=CCC1 1507668374 BPGYXRUTWLPCBR-OAQYLSRUSA-N 432.568 4.562 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nc(C(C)C)cs1 1507679759 QEFLUJVBYVXEGT-MRXNPFEDSA-N 427.549 4.645 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507694729 QZWJSZLFEFYWSV-UHFFFAOYSA-N 437.588 4.866 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(CC)CC)n1CC1CCCCC1 1507700511 RYCANGZIILRQRG-UHFFFAOYSA-N 439.579 4.556 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)c1ccsc1 1507812667 ORIGWJFPKLOBQC-SBUREZEXSA-N 444.576 4.929 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1507824518 BCMQPQWYSJKBJF-FQEVSTJZSA-N 444.482 4.901 30 10 IJEE C=C(C)COCCn1c(N2C[C@@H](C)S[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1507848802 SHPDQBJBWXSWSN-WOJBJXKFSA-N 426.630 4.671 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OC)CCCCC2)CC1 1507897884 SAMSEYNURGZYRQ-UHFFFAOYSA-N 425.533 4.605 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)c1cccc(OC)c1)C1CC1 1507996992 NIIQPVZCPDSJEG-UHFFFAOYSA-N 437.613 4.775 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1C[C@H](C(C)C)N1CCOCC1 1508007021 PTYKIXONDBBBAA-JOCHJYFZSA-N 443.661 4.547 30 10 IJEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CCc1csc(C(C)(C)C)n1 1508551277 ARGUYJJSGLXCOD-UHFFFAOYSA-N 428.650 4.993 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)c2c(C)noc2C)c1 1511201093 FJQQEAKXAHLFMF-IQGLISFBSA-N 448.571 4.704 30 10 IJEE CCCCN(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1514442676 BPDHGAILXPEZOU-GOSISDBHSA-N 445.011 4.543 30 10 IJEE C=CCN(C(=O)CCc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1516157151 VTPGXDPLJGTSIN-NRFANRHFSA-N 444.369 4.571 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 1523743910 AXAMTXIAQVCZMO-HSZRJFAPSA-N 449.348 4.960 30 10 IJEE C=CC1(CC(=O)N[C@H](C(=O)OCC)c2c(C)nn(-c3ccc(F)cc3)c2C)CCCCC1 1524521817 TWZXZLRTNKAUJB-QHCPKHFHSA-N 441.547 4.875 30 10 IJEE CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1scc(C(C)(C)C)c1C#N 1527545358 DNROSHPFJSICEV-FQEVSTJZSA-N 436.581 4.721 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccccc2Cl)c1C(C)C 1529847843 HLMBZGGHLMHGJO-UHFFFAOYSA-N 436.943 4.810 30 10 IJEE Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n(C2CCOCC2)n1 1529882318 AVVRIEQZVBWFHZ-HNNXBMFYSA-N 426.586 4.880 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1539052902 JYDFKLBNPBORMW-GOSISDBHSA-N 440.567 4.525 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1nc(C(C)(C)C)cs1 1539161985 RDFKBEJJPRMJMM-UHFFFAOYSA-N 431.968 4.804 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC(O)(CCC)CCC 1539350832 AHWFDVBFDYWPRV-UHFFFAOYSA-N 447.421 4.807 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)nnc1-c1ccc(Cl)cc1Cl 1539459010 ZTOKPXLHOARJDE-SUYBPPKGSA-N 437.396 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CC=CCO1 1539548062 DUNKQQLSKLMVHC-JYFHCDHNSA-N 434.584 4.707 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1ccc(F)cc1C(F)(F)F 1539549643 NJQNVNVSBNJEFJ-OAQYLSRUSA-N 429.421 4.538 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1539597171 TYTMNYHQXVNXQL-UONOGXRCSA-N 441.320 4.556 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1539731125 YMOBXBFAWOHAMV-YADARESESA-N 446.567 4.545 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)Cc1cnc(C)s1 1539787066 HCHPBMQYAAZDCV-UHFFFAOYSA-N 433.965 4.506 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)c2ncc(C)s2)CC1 1539836161 OPKGULWSMKMUHX-INIZCTEOSA-N 439.585 4.687 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1539882073 RHSASCJWPURVIG-UHFFFAOYSA-N 443.473 4.884 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539894385 FRWYAVWUTHVXMM-UHFFFAOYSA-N 441.501 4.928 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539896052 GHPPOUXLDMWJFU-VQTJNVASSA-N 442.629 4.533 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccco1)c1ccccc1 1539948098 OEEVLAPHBBJAGQ-JOCHJYFZSA-N 430.556 4.729 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539953893 PFKCZXQHNGRXKI-VWLOTQADSA-N 437.588 4.630 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cccs2)CC1 1540027164 QJBZIOGBCBHYLR-UHFFFAOYSA-N 444.004 4.579 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1540041918 GLQIPNNXOWOQOQ-LJQANCHMSA-N 428.552 4.605 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCO[C@@H]1c1ccccc1 1540171623 COPWXNRMQITJFS-RCZVLFRGSA-N 429.568 4.610 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@@H](F)C2)C1 1540886418 CPPOOZPWMNOIHK-KBAYOESNSA-N 434.943 4.527 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)CC1 1540920241 SBSUXOJXJQJSAV-DEOSSOPVSA-N 444.645 4.789 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 1542901820 KOPNPNIPJGVPML-KRWDZBQOSA-N 427.570 4.981 30 10 IJEE C=CC1(CC(=O)NCc2ccc(OCCCC)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 1556213195 RBGYZZCOSYUXKZ-UHFFFAOYSA-N 436.980 4.948 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)c(Br)c(F)c1 1557010173 AHTHZKBFZQSYMM-ZDUSSCGKSA-N 435.721 4.871 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3c3ccccc3)ccc2c1=O 1557137032 DZENTMPZWBTFCD-SIKLNZKXSA-N 433.577 4.670 30 10 IJEE C=C(C)c1cccc(NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)c1 1558713093 AMVIELJECMQDMA-LJQANCHMSA-N 425.533 4.526 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(C(=O)C(F)(F)F)c1 1559347397 WQXOQXJYSJABSA-UHFFFAOYSA-N 438.519 4.530 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(OCc3cccc(C)c3)cc2)c1 1559679033 CJIQSLQYEDAQFF-HXUWFJFHSA-N 441.531 4.554 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 1562255719 NYNKLCJHVLPPEB-UHFFFAOYSA-N 432.274 4.512 30 10 IJEE CCN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1562812007 GOKXXOJMVCLWKG-UHFFFAOYSA-N 444.560 4.880 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc(OC)c1OC 1587079904 VLMWYYHMPFCGJI-UHFFFAOYSA-N 434.521 4.788 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)c1ncc(C)s1 1587678521 TZWNIIBVOSCBIZ-CVEARBPZSA-N 441.626 4.606 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1588117758 PNJIPLMQEOBILS-RTBURBONSA-N 437.469 4.860 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC[C@@H](C)C1 1588445546 OVSJZJNYRYAFJY-SJORKVTESA-N 431.378 4.515 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1ccc(OC)cc1 1589506614 YQXSGUZBINULQO-NZQKXSOJSA-N 436.556 4.863 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)(C)C)C1 1593629808 AAKPNFDXFPQJFL-OALUTQOASA-N 431.625 4.841 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1593851861 GYFQCQBTHWJINA-MRXNPFEDSA-N 436.869 4.754 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)CN2CCCC2)CC1 1594024062 RJCHBDIZPJRMJD-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1594202627 SFROLIKNYAPTQQ-KSFYIVLOSA-N 447.421 4.907 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnccc1OC 1595108473 AHQINODXZHUARD-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1CCc1sc(C)nc1C 1595119886 IUMMOCWZIRAYMF-UHFFFAOYSA-N 444.608 4.773 30 10 IJEE C=C[C@@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1595938780 WSPCMALOGQGHKO-CJAUYULYSA-N 426.516 4.957 30 10 IJEE C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1)Sc1ccccc1 1611591039 FZYGQINKNLMCOW-NTKDMRAZSA-N 432.597 4.575 30 10 IJEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCC2(C)C)cc1OC 1616331020 DEZNTEXETFEXIU-MJGOQNOKSA-N 425.577 4.917 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)cc1OC 1623470301 ICRQSNFTJPJYSG-OWBHPGMISA-N 438.524 4.937 30 10 IJEE COc1cccc([C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)c2cc(F)ccc2OC)c1 1625505144 HGWCXFRSGYBGNH-QGZVFWFLSA-N 446.891 4.736 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 1625539284 VAMBQQKEQKRDKU-FZKQIMNGSA-N 437.309 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(Br)ccc1OCc1ccccc1 1626364021 AKUOYPWHRAZJOQ-UTKZUKDTSA-N 430.342 4.739 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc2oc(C(N)=O)nc2c1)c1ccc(C(F)(F)F)cc1 1627280747 FEACOSPMOFNGEW-OAHLLOKOSA-N 432.402 4.775 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@](C)(CCC)NC(=O)OC(C)(C)C)cc1 1631137365 QDNOSWHBEAOVRN-DEOSSOPVSA-N 429.561 4.523 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 1634574518 HZBHUYWVKUPZLE-XZOQPEGZSA-N 431.536 4.551 30 10 IJEE C=CCOc1ccc(CNC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1 1635152181 HEZQUZSPRWCXSS-MUUNZHRXSA-N 442.559 4.797 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 1635729997 HCKFZGUCYJKCKX-OKZBNKHCSA-N 440.968 4.510 30 10 IJEE C#C[C@H](CCC)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1635834945 KPHNRXBXCSXLRX-OAQYLSRUSA-N 440.609 4.933 30 10 IJEE C#CCN(C(=O)N[C@H](CC)c1cc(C)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1637695997 CMJOXPLJYHXSCM-JOCHJYFZSA-N 427.589 4.799 30 10 IJEE C=CCOc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1OC 1640147692 IOGHJMZTCLVVGD-QGZVFWFLSA-N 435.351 4.966 30 10 IJEE CCC[C@]1(C(=O)OCC)CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1642933470 FWTNIDNEYJILND-RUZDIDTESA-N 442.604 4.618 30 10 IJEE C=CCn1c(S[C@H](C(=O)OCC)C(C)C)nc2scc(-c3ccccc3)c2c1=O 1643476299 IEZBGDMAVZHBBM-SFHVURJKSA-N 428.579 4.991 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)nc3c(Br)cccc23)C1 1643533583 WKCYWOMGZUKDDW-INIZCTEOSA-N 434.337 4.935 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@]3(CC)CCc3ccccc3)ccc2c1=O 1644539893 BKPJUZBZKIZQIN-SANMLTNESA-N 447.604 4.889 30 10 IJEE C=CCn1c(SCc2cnn(CCF)c2)nc2cc(-c3ccccc3)sc2c1=O 1652527446 GFZKDLGDBHJAFP-UHFFFAOYSA-N 426.542 4.769 30 10 IJEE C[C@H]1[C@H](C)CC[C@@H](CNC(=O)OC(C)(C)C)N1Cc1ccc(Br)cc1C#N 1654876343 DFAGDQCOMYHYOX-VCBZYWHSSA-N 436.394 4.834 30 10 IJEE C=CCn1c(SCC(=O)NCCc2c(C)cc(C)cc2C)nnc1-c1ccc(C)cc1 1656403490 YOTLVAGWLWLSSM-UHFFFAOYSA-N 434.609 4.816 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1OC 1656844246 CMLSKNLXNAYGMR-HXUWFJFHSA-N 442.357 4.750 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2c(Cl)cccc2-n2ccnc2)cc1 1658659137 MSKCMDKVCRYNBN-UHFFFAOYSA-N 449.942 4.662 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)cc21 1664929638 REHYUYZFWOYQPM-FQEVSTJZSA-N 443.473 4.637 30 10 IJEE C=CCC1(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CCCCC1 1666917278 LWWBJEDOQLTVOC-LJQANCHMSA-N 431.577 4.839 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ncccc1CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1670094630 IVEXYJNOHYALAN-GOSISDBHSA-N 432.471 4.823 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N[C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1C#N 1672087340 CEVYNNCKZDSTON-NRFANRHFSA-N 435.446 4.784 30 10 IJEE Cc1c([C@H](C)NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cnn1C 1673090162 ALHGCPBGXWCKLB-VIFPVBQESA-N 426.336 4.901 30 10 IJEE N#CC[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1673350292 CFYYPKBMCCJFEN-OAHLLOKOSA-N 441.329 4.859 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@H](COc2ccccc2F)C(C)(C)C)cc1C#N 1675652561 DTOXYVQIXSSKRD-HXUWFJFHSA-N 442.491 4.881 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 1680700840 TZVTVSREYHMVHQ-GHTZIAJQSA-N 440.415 4.582 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 1682682064 BCRBFKGDWGOJJS-YLJYHZDGSA-N 438.385 4.550 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1)[C@@H]1CCCO1 1686184607 MFHCHSJWTYLRCU-PKTZIBPZSA-N 440.971 4.858 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1ccccc1 1686919501 HACRFTDVZBSQLN-HYBUGGRVSA-N 432.545 4.797 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H](C)c1nccs1 1689914702 AGVBJYJCJIHJGZ-KRWDZBQOSA-N 430.581 4.912 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)c1ccc(F)cc1 1690055015 MKERLPLETLCHHH-WWPVKYPJSA-N 436.575 4.602 30 10 IJEE C=C(C)COCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC=C(C)C1 1690305043 VLAOMVQNOQBRLD-UHFFFAOYSA-N 434.540 4.866 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2CCC[C@H]21 1690500321 RCYNOHBEPFIRQR-VQIMIIECSA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCn1nc(C)cc1C 1690515913 WZTWLJPQJGPOTJ-GOSISDBHSA-N 428.968 4.597 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccc(N(CC)CC)nc1 1690517017 XEBOAHMQNIQZCP-UHFFFAOYSA-N 430.600 4.660 30 10 IJEE C=CCN(c1nnc(-c2cccc3cccnc23)n1CC(F)(F)Br)C1CC1 1690540886 FRQVUEKXCHSXOP-UHFFFAOYSA-N 434.288 4.636 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1690743460 ACVKQFZEOARVRU-FSSWDIPSSA-N 447.693 4.530 30 10 IJEE C=CCSCCn1c(N(C)Cc2cc(Br)cs2)nnc1C(C)(C)C 1690750518 MLZHVUDNMQOLRG-UHFFFAOYSA-N 429.453 4.955 30 10 IJEE CC(C)(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nc2cc(Cl)ccc2s1 1691144667 AKNQHFPIKLYBLU-HXUWFJFHSA-N 432.956 4.620 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCN(C(C)C)C(C)C 1705478854 CASQJJVZXAQZLB-GOSISDBHSA-N 446.437 4.674 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(F)(F)F 1705509521 JPFIHYZEJROZTN-UHFFFAOYSA-N 429.284 4.818 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCC2(CCCCC2)O1 1705601675 QYFPKMSQZBIVJD-XMMPIXPASA-N 446.595 4.510 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)OCC 1705670792 JLYRNDHUFKHVIR-OAQYLSRUSA-N 449.368 4.654 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC(C)CC1 1705710206 VTRUTLAGDPGYSV-AUSIDOKSSA-N 442.629 4.797 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOc2cccc(OC)c2)CC1 1705765167 ASPNLGOPIYAZBR-UHFFFAOYSA-N 439.947 4.628 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1CC 1705817213 FFYFJGIDFLLIDF-XUVXKRRUSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H]1CCCCN1C1CC1 1705857484 GJKCAFRNFOMDSG-YKSBVNFPSA-N 432.616 4.873 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C(C)(C)C)no2)C1 1705915506 DSGHPHRPGRSSHV-SFHVURJKSA-N 441.963 4.714 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722390520 SMAXPQYHMHZMBQ-RTBURBONSA-N 430.474 4.710 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1722415401 QTZPEBDQOHTCLF-NFBKMPQASA-N 425.646 4.615 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CCSCC 1722486120 RVCBZCQXJUSCCY-OAHLLOKOSA-N 434.407 4.693 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)CC1CC1 1722494504 CFKLUGQQBOUCHL-YLJYHZDGSA-N 445.405 4.925 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1722520015 QGEBJJWRJKVABD-AVRDEDQJSA-N 440.519 4.912 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1722536251 MBEAEOWNYDHNID-OAQYLSRUSA-N 440.519 4.832 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2cnn(C)c2)CC1 1722559808 JENMNHYFHHYLQZ-GOSISDBHSA-N 440.979 4.627 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1722563097 SRRRHQKSIVAVEX-SFHVURJKSA-N 429.012 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722586173 VWJBDYKREFGICQ-OYRHEFFESA-N 439.648 4.655 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1722628510 DKTQTAKYWODGEO-LJQANCHMSA-N 429.615 4.630 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccnc(SCC)c1 1722672087 JUOPYCVYPFKOOQ-NRFANRHFSA-N 449.580 4.524 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)c1ccccc1 1722694157 MWQBKORFFFPVOM-MSOLQXFVSA-N 449.624 4.631 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2occc2C)C1 1722722045 LPMNCXCBWXZXBA-GOSISDBHSA-N 444.988 4.955 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1727062582 GCGYLUXAYNAJHL-INIZCTEOSA-N 437.617 4.886 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1740569471 DGSFQZCSHVBESU-UHFFFAOYSA-N 435.355 4.665 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](SC)C1 1740577807 QAEFEGJLTIEVKN-JOCHJYFZSA-N 426.630 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(OC)C1CC1 1740769930 ZHYDVQCSPNHENH-IBGZPJMESA-N 439.423 4.987 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cc3ccccc3s2)CC1 1740833144 LXCAJFJOSWHSIY-GOSISDBHSA-N 440.613 4.862 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC[C@H]1C 1740844532 KRGHYOAJYIEMPY-OAHLLOKOSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1740847278 CZLPOJUXFBKHNP-UHFFFAOYSA-N 448.615 4.667 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2ccn(C)n2)nnc1-c1ccc(OC)c(Br)c1 1740851617 AHKFOSURXWZOOM-UHFFFAOYSA-N 445.365 4.796 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)c1ccccc1 1740853460 DHWHFESKWICBSH-XZOQPEGZSA-N 444.583 4.505 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCC2)CC1 1740857978 GEOASPLPGOCLJX-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC(F)F)C1CC1 1740907464 UYVAPYSQPFMWFC-UHFFFAOYSA-N 431.874 4.798 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](C)C1 1740930338 RPTOOOAUTHVLPT-VQTJNVASSA-N 446.599 4.851 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1C[C@H](F)c1ccc(Br)cc1 1740932047 FWGVJZSAYWMEDQ-HKUYNNGSSA-N 449.368 4.824 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCCC1 1740937483 HLZRAJSEBQIZAG-OAQYLSRUSA-N 428.577 4.697 30 10 IJEE CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)cn1 1741327638 FKEMYFSBTXDXJW-LJQANCHMSA-N 447.612 4.510 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCc2c(ccnc2O)C1 1748700107 XLCXSBARQNQMBZ-HXUWFJFHSA-N 445.567 4.502 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCOC2)C1 1748724447 SNHFYTWHWYTMIK-SANMLTNESA-N 436.600 4.575 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C1CC(C(C)(C)C)C1 1748779362 HKOQXAWTQRRXDC-UHFFFAOYSA-N 431.378 4.783 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(=C)Br 1748937289 FLROZYDHEIDLCR-UHFFFAOYSA-N 444.160 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCCN(C(C)C)C1 1749056119 AETAZPOMSDXQGH-NTKDMRAZSA-N 426.008 4.711 30 10 IJEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C)C(C)(C)C1 1749103862 FNRVVAIIVOHLCF-KSSFIOAISA-N 447.377 4.572 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749281523 FUDGYBCGOWJOCA-RTHVDDQRSA-N 439.412 4.574 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1749293446 NLVMPQXSHUXMQI-UHFFFAOYSA-N 447.461 4.582 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 1749354364 OMDBNCAHPJQLFR-HSZRJFAPSA-N 437.632 4.869 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749370203 FFXRXCCZFYRBMF-FQEVSTJZSA-N 426.580 4.742 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1749374106 YPNGHBMGHKWJOE-HSZRJFAPSA-N 438.616 4.897 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(NC(C)C)CC1)c1ccccc1 1749385000 LAGKLTDGCKZLKU-XMMPIXPASA-N 444.627 4.591 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@H](CC)C1 1749449932 YZEQFFLNDIFBAC-QGZVFWFLSA-N 437.009 4.532 30 10 IJEE C=CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H](F)c1ccc(Br)cc1)C1CC1 1749517470 OMGYYPJRYWXDRQ-QFBILLFUSA-N 449.368 4.800 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](SC)C(C)(C)C 1749544773 NLGMXVSDYYEOFA-GOSISDBHSA-N 447.674 4.546 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1Cc1cccnc1OC 1749552963 MDZWWOIMCUCQEF-UHFFFAOYSA-N 437.594 4.636 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@H](C)N1CCCCC1 1749565770 RJIHVJGFULRAIY-NRFANRHFSA-N 430.600 4.936 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1sc(C)nc1C 1760098094 OHTHKKWFXBODJF-ZFWWWQNUSA-N 429.977 4.651 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1cn2ccccc2n1 1760103723 KYIVZCAVIAZIMM-IBGZPJMESA-N 426.568 4.591 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCN(C(C)C)C1 1760106043 JCTDLNCNDYFWNP-SJORKVTESA-N 434.415 4.830 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1760213736 NXEDQFRMNDUNLV-NHCUHLMSSA-N 432.612 4.909 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN(C(C)C)C1 1760340805 OYTCZSCWXKGTHW-QHCPKHFHSA-N 439.648 4.997 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N(CC)CC)CC1 1760369151 GKEGWHCVBNEZST-UHFFFAOYSA-N 426.367 4.801 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1760390328 DKQQFUVWVDDOAX-QFIPXVFZSA-N 437.563 4.841 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C 1760419526 UPOZUUFBTUIHSF-UWHHFBIGSA-N 432.653 4.930 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760434575 GCZXTJIWZJKWTL-RDTXWAMCSA-N 437.357 4.674 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC[C@H]1CCCCO1 1760458148 VHDYEPAIVPRNST-GOSISDBHSA-N 433.394 4.988 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1snnc1C)C1CC1 1760475958 BCXXGEQEWYLHGP-UHFFFAOYSA-N 438.601 4.652 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1CC(C)(C)C1 1760504058 JFUCHNVYHFNMTP-UHFFFAOYSA-N 433.394 4.783 30 10 IJEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1764377362 BNKVKIXHJJUMDW-GOSISDBHSA-N 436.585 4.559 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](F)(C#N)C1 1765081993 ASAFWAZEICOWCC-ZWWNWMABSA-N 433.478 4.815 30 10 IJEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(CCC(F)(F)F)CC1CC1 1770707133 DXSWHZIVIDXSLP-UHFFFAOYSA-N 435.494 4.658 30 10 IJEE CC[C@@H](C)c1ccccc1NC(=O)C(=O)/C=C/c1ccc(OCC(=O)N(CC)CC)cc1 1860724349 HCQIKVCGPHDPER-DQSGYLJSSA-N 436.552 4.668 30 10 IJEE O=C(/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(I)cc1 1860724980 XTILPNRGVXJNMG-XCVCLJGOSA-N 445.178 4.531 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C1CCN(Cc2ccccc2F)CC1 1861181085 GMEGDWHHTOMTKK-SANMLTNESA-N 447.639 4.799 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862452593 GNGLMUXXPVIDCU-QGZVFWFLSA-N 436.291 4.696 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)cc1 1862460221 TTZGHAAJSQCMSM-MPBGBICISA-N 433.426 4.879 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862535931 MXUJHPHYXXZNPS-QHCPKHFHSA-N 435.520 4.961 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862591540 IWKJHJJWADJIRR-QMHKHESXSA-N 429.472 4.740 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 1862604566 FJGURRZDRMFMFD-BXKMTCNYSA-N 441.483 4.797 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862642748 OXKBBYFVCVUBCD-FQEVSTJZSA-N 442.443 4.511 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1O 1862677256 BTJAFABTQMZSLE-NPMXOYFQSA-N 447.462 4.879 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(C3CCCC3)C2=O)c1 1863284101 GONUAPZYRURPRW-UHFFFAOYSA-N 426.303 5.000 30 10 IJEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868220930 CAHPFLZPPDLUJZ-QFIPXVFZSA-N 440.551 4.500 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868246720 POJOZZODUYRPNV-NRFANRHFSA-N 449.942 4.512 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1 1868883900 AEQPUXZNMUECQQ-DNQXCXABSA-N 426.601 4.845 30 10 IJEE CCCCCCCOc1cn(CCCn2ccnc2)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1=O 1870416617 GRKCNARHJFVVSH-ZRZAMGCNSA-N 442.648 4.962 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1CCCN(CC)CC 1870768767 OBBSDZCMCGCFFC-UHFFFAOYSA-N 437.628 4.642 30 10 IJEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CNc1ccc(F)cc1 1871042076 LWLCCTQCJMEMRW-UHFFFAOYSA-N 438.499 4.642 30 10 IJEE Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871372779 KCMODHVKQKQNSZ-UWVJOHFNSA-N 436.807 4.787 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1OC 1871374276 BHRYBLBUSXBKRS-OYKKKHCWSA-N 430.456 4.777 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc5c(c4)OCO5)c3C)C2=O)c1 1871429453 HZUDOQBYCXECPV-KSEXSDGBSA-N 443.455 4.666 30 10 IJEE CCc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccc(O)cc4)c3C)C2=O)cc1 1871442601 JRESHGGLZDVZFM-UCQKPKSFSA-N 429.472 4.897 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)s1 1871444303 XARAWONOJSQYGY-SKVMLSBPSA-N 447.516 4.679 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 1871454001 DBGXHZWGZUNHSS-OYKKKHCWSA-N 429.472 4.891 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C 1871972132 DBEPFXZXSLSBDP-NRFANRHFSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872402480 BAQJJYOGQUWCPR-HNNXBMFYSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872518879 ZAYCQQWSMBVRAK-HXUWFJFHSA-N 444.597 4.523 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 1872761249 JEXPJWLIXLHKJL-OPUMOTSWSA-N 448.500 4.504 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)cc1O 1874204022 FRNUJCGPJKZDDO-ZVBGSRNCSA-N 439.324 4.569 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874254259 YSMXBWOWXOABDN-XIEYBQDHSA-N 435.597 4.824 30 10 IJEE C=CCSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874259431 ZLRLNEGPQOWXRS-BUVRLJJBSA-N 438.553 4.684 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874324988 SHCWBUCQQRRGNB-LPYMAVHISA-N 425.514 4.766 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(C)cc2)o1 1874428230 XXOWTYDJSKMEDG-ZVHZXABRSA-N 432.505 4.808 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccs1 1874437665 MXWSUBVPPDOQHG-LPYMAVHISA-N 427.599 4.850 30 10 IJEE CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874441820 JSCVIHWNJUEOKC-QMFLXTPQSA-N 428.945 4.966 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc(C)c1 1874475213 PCXLHLCRCGIYKA-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2cccc(F)c2)cc1 1874483970 XFINDIXUKNODJR-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCc2ccc(C(=O)OCC)o2)cc1 1874532417 HVCXCVWWIYLDPX-OEAKJJBVSA-N 442.541 4.710 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c([N+](=O)[O-])c2)c1 1874605499 RKDILYRBJWYMLO-PKNBQFBNSA-N 446.459 4.825 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccccc2OC)c1 1874698881 RRPBHRWSNIKZFZ-FOCLMDBBSA-N 432.472 4.974 30 10 IJEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(NCc3ccc(C)cc3)ncnc21 1875232771 YGBXGQGAHSPCHI-UHFFFAOYSA-N 437.547 4.736 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@](C#N)(Nc2cccc(Br)c2)CC1 1888112480 OCSMDZLIPQXSPB-QGZVFWFLSA-N 430.293 4.790 30 10 IJEE CO[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 1904843123 AODGPYVBAKXHAN-IRXDYDNUSA-N 439.940 4.513 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 1912159752 MCWDCUABWWQNJA-HOTGVXAUSA-N 434.541 4.748 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC2)C1 1912205825 CHYHUNDMPDOBHJ-UHFFFAOYSA-N 434.541 4.607 30 10 IJEE C#CCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC)C1CCC1 1962754673 BTBXWTKZODIYHE-SIBVEZHUSA-N 444.575 4.954 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(Br)cccc1Br 1976249246 FGHUYBKXGGBZIP-ZFWWWQNUSA-N 446.183 4.518 30 10 IJEE C=C(CNc1cc(Br)c(Br)c(Br)c1)C(=O)OCC 2034339441 PDOSWBLJCXUQTI-UHFFFAOYSA-N 441.945 4.505 30 10 IJEE COc1ccc(-c2nn(CCC#N)cc2C=C2SC(=Nc3ccc(C)cc3)NC2=O)cc1 2040447826 XDSNWGPIJAVBTN-UHFFFAOYSA-N 443.532 4.672 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(C)(C)C)CN(CCCB2OC(C)(C)C(C)(C)O2)C1 2046173012 WKJPPNVSNOVAHT-MOPGFXCFSA-N 438.462 4.978 30 10 IJEE C[C@H](c1ccc(C2CC2)cc1)n1nc(C(F)F)c(/C=N/O)c1I 2079102703 ULOXPHXFMBEQSF-GCYXGZDWSA-N 431.224 4.720 30 10 IJEE CCOC(=O)c1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079241113 YGBXEBPRHXGILI-UHFFFAOYSA-N 449.120 4.988 30 10 IJEE CC1(C)C[C@@H](CNc2cc(Br)cc(F)c2C#N)N(C(=O)OC(C)(C)C)C1 2107438193 IXHAONSGEVRVLT-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)C(C)(C)CC1 2118153223 MWCOTTNDOPCEGD-UHFFFAOYSA-N 426.330 4.686 30 10 IJEE C[C@H]1CCCN(c2cc(Br)cnc2C#N)[C@H]1CCCNC(=O)OC(C)(C)C 2174716080 PVHHTNDVYPJCKQ-YOEHRIQHSA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](CN(c2ccc(Br)cc2C#N)C2CC2)C1 2174811982 FODFYOFVRGGHCN-HNNXBMFYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)C(C)(C)C1 2181108133 PBMJSKAPNSZKSW-CQSZACIVSA-N 436.350 4.542 30 10 IJEE CC(C)(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 2181148548 ZEUHVLLNTBVSSN-INIZCTEOSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](Oc3cc(Br)cnc3C#N)C(C)(C)[C@@H]21 2198815600 NUHRCCVXTAHRLK-XKQJLSEDSA-N 436.350 4.519 30 10 IJEE C=C1C[C@H]2CC(NC3CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C3)C[C@@H](C1)C2 2259377857 DRYMALAJMFTFSY-YOFSQIOKSA-N 449.636 4.567 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 2262199574 JIZLJWFESCFUJL-BSWQBHCVSA-N 447.572 4.655 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c(F)c1 2268638248 RTQMOLULOVAQJB-SFHVURJKSA-N 446.328 4.623 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCCC(=O)Nc2ccc(C#N)cc2Br)C1 2296141877 JKTQPWJSBMFGFB-AWEZNQCLSA-N 436.350 4.687 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2296217344 SYZGXADFPGLAQM-PWIZWCRZSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296289127 OGOIOKVZGCGKIN-QRQLOZEOSA-N 432.358 4.938 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2296302520 KCOQHXJSINAVBI-IHPCNDPISA-N 435.406 4.862 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1OC 2297745417 CZKLIHOYSKHTFD-XMMPIXPASA-N 443.499 4.634 30 10 IJEE CC1(C)OB(C=Cc2ccc(N[C@H]3CCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2301422430 HNEYRWHCWSACJI-NRFANRHFSA-N 449.360 4.549 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 2304614442 VRAZWHRHDOIOBB-STWLZBDKSA-N 428.573 4.698 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 2307589210 ABPNCVRANUZPKG-GXKKKHDSSA-N 433.593 4.999 30 10 IJEE CN(C)c1ccc(C=NN=C2SC(=Cc3ccccc3O)C(=O)N2Cc2ccco2)cc1 2314841301 SZSCZZFSLYYEAP-UHFFFAOYSA-N 446.532 4.558 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)cc(C)c3C2=O)cc1 2322748190 VFLOIINGECHGIB-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c1 2323895686 OVOWRTZXCLQXFX-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OCC(=O)NCCC 2324010167 WEIKAFDPFBUMMT-UHFFFAOYSA-N 437.536 4.542 30 10 IJEE O=C1C(=Cc2ccccn2)Oc2c1ccc(O)c2CN1CCC(Cc2ccccc2)CC1 2324029922 WYKZLWUHFGGKLD-UHFFFAOYSA-N 426.516 4.858 30 10 IJEE COc1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c(OC)c1 2324464997 JGPYSNPSJSAZDC-KRWDZBQOSA-N 426.444 4.995 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2cccc(C(C)=O)c2)ccc1OCc1ccccc1 2325652547 GXQHZVJHARXYGJ-UHFFFAOYSA-N 429.472 4.698 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1cccn1C 2326074066 HHZRMROYACXLNR-UHFFFAOYSA-N 429.977 4.832 30 10 IJEE C[C@H]1Oc2ccc(C(=NOCCCOc3ccc(Cl)cc3)C3CC3)cc2N(C)C1=O 2330339373 QUZUHUBINNYTQI-OAHLLOKOSA-N 428.916 4.684 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1N=Cc1ccccc1 2330360177 ZZDMWWICHJDGHZ-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1ccc(F)cc1F 2331325921 COGLBVSAJINQFH-UHFFFAOYSA-N 443.523 4.820 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1 2331432575 KKMKXCGQIFJQQN-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)cc1)Nc1ccc(F)cc1 2331727364 HYRYQOUCJCPMAA-UHFFFAOYSA-N 429.908 4.561 30 10 IJEE CCCN[C@@H](C#CC1CCC1)c1ccc(Br)cc1I 2337439709 PVGMMNJXUYBRPY-INIZCTEOSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339575060 QZVHJKVXVZYQQC-DEOSSOPVSA-N 444.381 4.752 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339594233 QMTGCFFLMQHBIF-QIXNEVBVSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@@H](N)C#Cc3cccc(Br)c3)CCC[C@H]21 2360194130 IKYLAZYELWNESY-FUMNGEBKSA-N 433.390 4.554 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)CC[C@H](NC(=O)OC(C)(C)C)C1 2360195825 DMXDYTHAYDFSJL-IPJJNNNSSA-N 435.406 4.862 30 10 IJEE CN(c1cc(Br)cc(C#N)c1)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2365583345 CCFCHLPNGOMJKD-BYICEURKSA-N 434.378 4.793 30 10 IJEE C#CCCCCC[C@@H](NCC)[C@H](O)c1sc(Cl)cc1I 2366673688 XUYNTINDDJFTAQ-OCCSQVGLSA-N 425.763 4.601 30 10 IJEE C=CCOc1ccccc1/C=C1\SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 2309472 OPRJNWIOCIHWAF-QNGOZBTKSA-N 439.968 4.697 30 10 IJEE COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccc(F)cc3)nn21 9597403 QQSRXADGIYAPKS-OAQYLSRUSA-N 436.512 4.740 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2c(C)cccc12 12240612 QZSAJVSTHIZOEO-UHFFFAOYSA-N 446.854 4.723 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 34954437 VWYGCLMGVCPBNY-WLRTZDKTSA-N 433.416 4.727 30 10 IJEE C=CCc1ccc(OCCCn2c(CCNC(=O)CCC)nc3ccccc32)c(OC)c1 40197832 PTMIDBDJLYRWRW-UHFFFAOYSA-N 435.568 4.701 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1c(Cl)cccc1Cl 59016202 KHZZIVHMLBAHGS-UCXQJLNCSA-N 447.351 4.953 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1c1ccc(F)cc1 169940862 WYCHSNIRIOIYKC-QHCPKHFHSA-N 445.446 4.552 30 10 IJEE CCc1nc(N/N=C\c2ccc(OC)c(OCc3ccc(C)cc3)c2)sc1C(=O)OC 169941485 CPCCNRQYBWATCJ-CFRMEGHHSA-N 439.537 4.834 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2OC)cc1 169942757 HPURWQJANOPONC-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 169983889 XUSMPVXGGUHXTP-GOSISDBHSA-N 442.399 4.717 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100704 PESYBVRWUWIDEM-OAQYLSRUSA-N 435.407 4.547 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 170126671 MDZCHENZBOSGBG-HSZRJFAPSA-N 431.488 4.845 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(C)c1 170143835 LJKCYKIRLUPQHI-JOCHJYFZSA-N 431.488 4.992 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)c(OC)c1 170156526 JGHHPOROBKQHMR-NRFANRHFSA-N 435.501 4.857 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccccn2)c1 170175401 ISTBRSSEQSSDBN-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccncc2)c1 170200831 WUXSANBNMAMSLM-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OCC)cc1 170214347 SHUFAQSBWSAEFN-NRFANRHFSA-N 438.480 4.762 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1c[nH]c2ccccc12 170256161 ZSAOZLJHSFSAIC-QHCPKHFHSA-N 448.519 4.954 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)cc(C)c3OC)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170265772 MCXYJVRWEVHNMA-NFBKMPQASA-N 449.547 4.632 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@@H]1c1ccccc1C 170275726 BBDCFLJWEGMYEI-QHCPKHFHSA-N 437.536 4.742 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 170473863 PUVVJRZOICZCQD-JOCHJYFZSA-N 437.536 4.993 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sc(COc2ccc(F)cc2)nc1C 195728013 PJQRTCALTAQKHT-UHFFFAOYSA-N 441.484 4.906 30 10 IJEE Cc1nn(-c2ccccc2)c2nc(Cl)c(C=Nc3ccc(N4CCOCC4)cc3)cc12 254826524 FMQUMKXLWVFECU-UHFFFAOYSA-N 431.927 4.970 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1F)NCCC 406956602 IFDXRLGUUXZEJA-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 460803468 KMADHCFCHGYOHQ-LJQANCHMSA-N 445.489 4.864 30 10 IJEE N#CCCN(Cc1ccccn1)C(=O)c1cc(Oc2cccc(Br)c2)ccn1 474702409 CYLGXVQUOSCZMR-UHFFFAOYSA-N 437.297 4.587 30 10 IJEE CCCCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(C(=O)OC)cc2)c1 526827464 QSVNFKPOUTXBGT-IWIPYMOSSA-N 438.553 4.727 30 10 IJEE N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CC1 558632569 DVRPATACMHMKEG-UHFFFAOYSA-N 438.837 4.765 30 10 IJEE CC(=Nc1cc(C)ccc1O)[C@@H]1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 575731582 JDYBYIQHSNNLSZ-INIZCTEOSA-N 432.427 4.984 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3ccc(F)cc3F)C2)c1 586052056 AJJRLBRFUXWCES-FQEVSTJZSA-N 441.522 4.837 30 10 IJEE N#Cc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586231558 NLZYZEAXXODXHM-UHFFFAOYSA-N 427.869 4.515 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc(N3CCOCC3)c2)cc1 608785243 DCQAHWAALYSQIY-UHFFFAOYSA-N 444.510 4.768 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669813184 GVWYXDIPMOBGQF-KRWDZBQOSA-N 441.377 4.548 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1ccc(Br)c(Br)c1 698307590 KEDYMCTVCVGWMS-AWEZNQCLSA-N 434.172 4.635 30 10 IJEE CCCC(C#N)(CCC)C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705832522 GNPOTCVLZATGEM-UHFFFAOYSA-N 433.596 4.684 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(C#N)c(Cl)c1 726405009 BFFGYFNJJYDKAR-IBGZPJMESA-N 440.956 4.809 30 10 IJEE COc1ccc(CN[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1C#N 773084480 SNDKOVGITRGQNZ-HFZDXXHNSA-N 449.551 4.560 30 10 IJEE O=C(/C=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1ccc(C(F)(F)F)nc1O 777467226 IUPVPEPDMJEMIF-CLTKARDFSA-N 441.331 4.966 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cnc(OCC(C)C)c(Cl)c1 783349775 JDYNKRXLJBAMBQ-GOSISDBHSA-N 427.932 4.856 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(F)c(Br)cc1Cl 796610548 CJQNKVUKJNGSHA-UHFFFAOYSA-N 432.680 4.991 30 10 IJEE Cc1cc(F)ccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1 1084524029 UBLWYDNIQIERDC-UHFFFAOYSA-N 434.500 4.582 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)O[C@H]1CCc2c(OCC3CC3)cccc21 1127191794 CUNBHQYZAALMEW-NRFANRHFSA-N 442.309 4.719 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(C)o2)c1 1131832911 OXNVSYPZXJWQIA-UHFFFAOYSA-N 444.940 4.553 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CSC(c3ccccc3O)=N2)cc1F 1148215766 CDZZJVVBUGXEQL-GOSISDBHSA-N 433.464 4.696 30 10 IJEE C#CCN(CC(=O)N(Cc1ccc2[nH]ccc2c1)Cc1cccs1)C(=O)OC(C)(C)C 1149963302 FUCUWYGVEMBYRX-UHFFFAOYSA-N 437.565 4.629 30 10 IJEE C#CCOc1ccccc1NC(=O)c1cc(I)cc(C(F)(F)F)c1 1154540951 GWASXZCVLFVPCT-UHFFFAOYSA-N 445.178 4.574 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)c2c1 1162936232 GDBFIQXJAOZEIT-CQSZACIVSA-N 426.879 4.607 30 10 IJEE C#CCC1(NCc2csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n2)CCOCC1 1176264489 YHZHRFMSNSNQMU-UHFFFAOYSA-N 437.487 4.509 30 10 IJEE C=CC[C@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1183303464 JFHVHNRZEIBPSU-INIZCTEOSA-N 436.961 4.624 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1sncc1Br 1188282979 PLLGLJNCXLLUEZ-UHFFFAOYSA-N 441.351 4.694 30 10 IJEE CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1ccc(C#N)cc1F 1190887948 HFJQLJROFCOKRW-SFHVURJKSA-N 428.451 4.652 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cc1 1212304662 MCMWDJNZNAPMSJ-XZOQPEGZSA-N 441.593 4.551 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1)c1ccc(F)c(F)c1 1226658491 CIFIRKLRSKUJDN-NVXWUHKLSA-N 426.389 4.938 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1 1254928923 ZEXLXYKNNUKLNT-XGAFWQRZSA-N 425.573 4.573 30 10 IJEE C=CCN(C(=O)c1cnc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1264307671 IVGPYLHSLHWGEX-UHFFFAOYSA-N 449.557 4.595 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCC(F)(F)C1 1286277145 BKJIUXLSYDVJGN-BZSNNMDCSA-N 432.515 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1nc(C)c(C)s1 1286282543 NYFBUTCCXJZUBU-QGZVFWFLSA-N 437.613 4.950 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCO[C@@H]1C(C)C 1286441327 LQYNRELHEXFQAR-YLJYHZDGSA-N 445.405 4.618 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1 1286532553 GLLIYPRNKPMUHU-UHFFFAOYSA-N 439.785 4.901 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 1286599837 DINQEVBJUYYEMU-UHFFFAOYSA-N 435.572 4.778 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)C1 1286696183 WKWDEOJWLADARZ-CYBMUJFWSA-N 425.371 4.755 30 10 IJEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)C)CC1 1286901574 DLPIBIVFJPSCKS-UHFFFAOYSA-N 436.604 4.527 30 10 IJEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1Oc1cccc(F)c1 1291505235 FUMUQYUZOIQGET-HJPURHCSSA-N 438.482 4.608 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1300315139 RFKOIUAFCHGVKU-FQEVSTJZSA-N 433.625 4.673 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1csc(CC)n1 1300880470 IVOXUYAREBKHST-IIBYNOLFSA-N 441.576 4.721 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(CC)Cc1ccc(OC)cc1OC 1300885747 SJRSQKNXRCZYST-OFNKIYASSA-N 440.588 4.571 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)CCOCC 1300936844 NXXGNNDYVWHUJC-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(OC)c1 1300969723 BEJOZZPTPQZPEH-FQEVSTJZSA-N 441.576 4.571 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCCCC1 1301173806 JDWWNDJPCBPUEX-UHFFFAOYSA-N 429.996 4.987 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](COC)C1 1301231281 GEGDJOQXSMWDMC-INIZCTEOSA-N 439.387 4.993 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1oc(CC)nc1C 1301280349 ILONBEATYVSGJS-UHFFFAOYSA-N 433.512 4.646 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)c1ccccc1 1301294880 UHBNJEVQRYTJTL-IBGZPJMESA-N 439.604 4.819 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1Cc1ccc(Cl)nc1 1301385022 ZVBWXKCEQKAITC-UHFFFAOYSA-N 444.764 4.983 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1CC1(O)CCCCCC1 1301402546 NGBWMYYYXKULKF-UHFFFAOYSA-N 445.611 4.584 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@H](C)c1nc(C)cs1 1301406325 PBZNAAIAEOXOLG-KRWDZBQOSA-N 436.585 4.680 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCCCC1 1301410412 FMCGOFBVKJFZPO-QFIPXVFZSA-N 441.620 4.612 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301615724 UQPOLDCNTYZHSK-HXUWFJFHSA-N 444.601 4.567 30 10 IJEE C[C@@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 1307311148 HLDZYEIZPCKKNP-SNVBAGLBSA-N 448.875 4.624 30 10 IJEE C=CCC[C@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 1308341470 GLSLTBXLFRQAGY-KRWDZBQOSA-N 432.895 4.803 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(c4cc(Cl)ccc4Cl)CC3)cc21 1311253007 YOUPHSMJWJIAPR-UHFFFAOYSA-N 430.339 4.883 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)NCC2CCC2)[n+]2cc(O)cc(-c3ccccc3)c2)cc1 1325951150 IWUMGCBJDSMVNR-UHFFFAOYSA-O 442.564 4.819 30 10 IJEE C=CCc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(OC)c1 1349158705 PTEMTBJNAIEDRK-GOSISDBHSA-N 434.319 4.941 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 1356599657 CGJNBMYJIXPAAO-OAQYLSRUSA-N 431.305 4.886 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2nc(CC)n(-c3ccccc3F)n2)c1 1358371669 RVXJTQAYUOGTPM-UHFFFAOYSA-N 430.508 4.859 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(CCOC)CCCC1 1358880872 VBDUTHIDUFCVDT-KRWDZBQOSA-N 430.980 4.662 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)c1nc(C)cs1 1359013857 NYDAYTOIDRKWPQ-OAHLLOKOSA-N 429.977 4.539 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1359130805 WQSIHHXMSXNSAX-WMZHIEFXSA-N 433.556 4.529 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CC(C)(C)OC(C)(C)C1 1359147433 GOLGDCMLBFCGGO-UHFFFAOYSA-N 439.785 4.854 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCCC[C@H]2C)CC1 1359161006 MKBRBQDKUQLWDM-LJQANCHMSA-N 445.558 4.967 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(C)CCOCC2)CC1 1359161946 WHMZDKMIRKYBEY-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCc2scnc2C)CC1 1359162830 GMUWGJWXIHRXGQ-UHFFFAOYSA-N 444.402 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCn1cccn1 1359184445 PIMAOHYTKAWBAK-UHFFFAOYSA-N 443.393 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1359191713 KIEPBPAATAUVFR-SFHVURJKSA-N 448.036 4.541 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1359201285 ISEYHKQHXJPJDZ-UHFFFAOYSA-N 446.599 4.730 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1359284110 QWIVRECRXRMDFN-IAGOWNOFSA-N 437.357 4.673 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC(F)(F)C2)C1 1359316432 OMTNQTOQUWOUTB-GDBMZVCRSA-N 440.897 4.954 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359337641 XKGNFTSEEGQBDQ-DSKINZAPSA-N 446.592 4.624 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2)c1ccccc1 1443218556 TYANOSWBACZKKF-XMMPIXPASA-N 426.516 4.735 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cl)c(I)c1)c1ccc(Cl)cc1 1460792523 PJJNNVIOFJBVKA-HNNXBMFYSA-N 430.072 4.702 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)C(=O)OCC 1462156433 OPKRJTKOUWWOOM-KRWDZBQOSA-N 448.306 4.590 30 10 IJEE CCc1ccccc1O[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 1463593603 HONLKIFEXFWZTC-HHHXNRCGSA-N 439.559 4.585 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1464361264 ROJSJEYZSDVMTN-CTNGQTDRSA-N 430.589 4.883 30 10 IJEE CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(OC)c(C#N)c2)CC1 1467169979 HCFZRUASQAHKAW-QFIPXVFZSA-N 435.524 4.548 30 10 IJEE C#C[C@](C)(CC)NC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1468175251 ITBVQZOOYWWZRD-WTYVLRPYSA-N 444.575 4.956 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 1470489946 VKFBFTZPPJXRMT-JWQCQUIFSA-N 427.548 4.723 30 10 IJEE C#CCCOc1ccc(C(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc1 1470611207 XCAGFROWJCAZLG-UHFFFAOYSA-N 431.511 4.638 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccc(C)cc1Br)C[C@@H]1CCCO1)c1ccccc1 1470662582 JCKWPZMGEKDHLO-RBBKRZOGSA-N 441.369 4.823 30 10 IJEE C=C1CCC(CNC(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)CC1 1471283639 LWSOGSGMZOWZOA-UHFFFAOYSA-N 434.422 4.801 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1)C(=O)OC 1471893985 RYYJDDBOSXMVPE-XMMPIXPASA-N 445.563 4.843 30 10 IJEE C=CC[C@H]1N(C(=O)CCn2c(S)nnc2-c2ccc(OCC)cc2)CCCC1(C)C 1472554480 NCUWKCRMYDFPJV-LJQANCHMSA-N 428.602 4.616 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)c2noc(-c3ccccc3)n2)cc1OC 1474069850 ROWNXBYDCKBKNR-CQSZACIVSA-N 444.329 4.923 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(-c3cccc(C)c3)c2)cc1 1475972912 IRZLHWHSHITBQP-UHFFFAOYSA-N 449.576 4.790 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 1476220916 HICXHOIJXKVISX-UHFFFAOYSA-N 441.597 4.765 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(Oc4ccccc4)cn3)CC2)nc1 1476397593 GCOZHRICFFZJNA-UHFFFAOYSA-N 429.480 4.652 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1cccnc1)C(C)C 1507644597 KXOYIAQARMMWEX-JOCHJYFZSA-N 447.970 4.515 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccncc1Cl 1507679018 PVHLBDJMLJEKSF-UHFFFAOYSA-N 448.983 4.933 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507703360 VLOLLMDLSMGNBA-LWYYNNOASA-N 442.991 4.594 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)Cc1cccs1 1507824138 SANBUQYHRZIWLF-UHFFFAOYSA-N 429.977 4.526 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1507826927 KBEZKIVELOIJAU-HXUWFJFHSA-N 437.632 4.951 30 10 IJEE C=C(Cn1c(N2CC[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1507850608 PHTDTINEACRRGT-DZFGPLHGSA-N 437.588 4.608 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@](C)(O)CCC)CC1 1507888649 OYGMVXSZYHVXMZ-OAQYLSRUSA-N 439.387 4.871 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1507909368 CTCXCFQFUZKDGX-RCZVLFRGSA-N 440.588 4.616 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1507931906 IGCUMMJIWDIZNI-XEWABKELSA-N 445.405 4.661 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1Cc1csc(CC)n1 1508007841 GWDXNPHQGDRFRC-FQEVSTJZSA-N 441.576 4.919 30 10 IJEE CC[C@@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1ccnc(SC)c1 1512832673 DSODONNOGYLTLN-QGZVFWFLSA-N 432.597 4.997 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@H]2C)c1 1524420888 MTUUBNKVBLWADP-MJGOQNOKSA-N 447.000 4.887 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c(C(=O)OCC)c1C 1524508693 KQQVFVRIERWMTE-LSDHHAIUSA-N 449.475 4.596 30 10 IJEE Cc1nc(-c2ccc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)s2)cs1 1524847826 FSSSEWFAEXYZFP-UHFFFAOYSA-N 428.970 4.668 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(Cl)cc1 1525037789 DCLCESGWQRVQCW-HXUWFJFHSA-N 449.293 4.898 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 1528637739 FFFOTXMHTBXTAJ-UHFFFAOYSA-N 445.445 4.930 30 10 IJEE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(c1cccc(C#N)c1)C1CCC1 1532438037 AGQHFUZQUAUKAE-QGZVFWFLSA-N 442.606 4.808 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(F)c(Br)c(F)c1 1535452163 IWIROERVWDSIBD-CQSZACIVSA-N 446.292 4.643 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)cc1OC 1537681307 GMKMHUZVGMETBX-QBFSEMIESA-N 439.508 4.904 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCCC1(F)F 1539035181 MXVARIOLQKMJCS-IAGOWNOFSA-N 434.556 4.862 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCC(F)(F)C1 1539296094 KZWXBTYFLCKVAG-NHCUHLMSSA-N 440.538 4.933 30 10 IJEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1539676121 JBRHXFLNTMDEHH-KESTWPANSA-N 427.980 4.575 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1c1csc(C)n1 1539752558 RFYQNFPQXKUPES-JOCHJYFZSA-N 437.613 4.876 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)OCC)CC1 1539874089 AWNWGSREPJBASE-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(C2CC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1539963049 JRCNFQJJRNTTRY-IBGZPJMESA-N 431.378 4.852 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C[C@@H]1CCOC1)C1CC1 1539985727 PCCZZQUXTSLSJN-AWEZNQCLSA-N 437.407 4.741 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1CCc1ccc(Br)s1 1540054581 RDJIXUPXAVXING-UHFFFAOYSA-N 433.375 4.643 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccnc(SCC)c1 1540143221 SRWFEMHGDHDINW-UHFFFAOYSA-N 449.609 4.545 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCO[C@H]1C(=C)C 1540153936 NYHIIGUGLOOBBM-ICSRJNTNSA-N 443.389 4.867 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC1CCN(Cc2cccs2)CC1 1540164016 GFMMURARGUCHPA-UHFFFAOYSA-N 448.640 4.801 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCC(=O)Nc2cccc(Cl)c2C)C1 1540883206 VYRHOSQASNAAJM-SJLPKXTDSA-N 445.995 4.564 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1540920173 PSDZJXYKFCHREI-DEOSSOPVSA-N 444.645 4.726 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 1542166775 QGOUNFZHAHGDBF-FQEVSTJZSA-N 431.552 4.840 30 10 IJEE CC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)cc1O 1544595717 ADRYCJNDODEFGK-UHFFFAOYSA-N 445.422 4.785 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C 1559885567 RZELVLHJZILXFG-IAGOWNOFSA-N 435.996 4.654 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 1562524323 QZOJFSPYOCBRHX-UHFFFAOYSA-N 425.941 4.999 30 10 IJEE Cc1ccc(Br)c(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 1562533912 HHQMBTOVNWOVQX-UHFFFAOYSA-N 444.720 4.790 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCN1c2ccccc2C[C@H]1C 1562928556 NEUKIGAQYHYXNR-OAHLLOKOSA-N 430.346 4.587 30 10 IJEE C=CCC[C@H](NC(=O)NCCc1nnc(S)n1C(C)C)c1ccc(C(F)(F)F)cc1 1564406514 HIXXTGBXULIQHV-INIZCTEOSA-N 441.523 4.716 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)c1ccc(Cl)cc1F 1584727635 SYUIXGUSPVREAC-QLJPJBMISA-N 428.660 4.639 30 10 IJEE CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1586245646 CLHIGNGNMBVMPS-NRFANRHFSA-N 432.351 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[C@H](OCC)C1CCCC1 1587658016 ZPZXFOLWIGJNCM-DVECYGJZSA-N 433.600 4.794 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1588289088 XBNQVNZQYFWQAZ-ROUUACIJSA-N 446.014 4.954 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CCOC)Cc1ccccc1 1589544550 IMKFDULMYQQBQP-GMAHTHKFSA-N 426.605 4.501 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OC(C)C)CC1 1594521082 KHVXVIXXFJXGBK-UHFFFAOYSA-N 437.588 4.725 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]2CC[C@@H]21)c1ccccc1 1594535079 QMJBPKUYWGSUMI-GIWBLDEGSA-N 435.616 4.935 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1594559173 GPPNQTIPDRVCMC-AUSIDOKSSA-N 445.995 4.514 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1594733681 XKCOCZSBRVNEPE-UHFFFAOYSA-N 442.583 4.763 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CCCC2)C1 1594784058 PLCHLHJIPXOYPA-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCS1 1595161856 NRLPEWOBHWRUJK-JOCHJYFZSA-N 425.627 4.804 30 10 IJEE CC1(C(=O)Nc2ccc(N=S(C)(C)=O)cc2)CCN(c2ccc(Cl)cc2C#N)CC1 1595528523 HCIGHRKDNWAXHA-UHFFFAOYSA-N 444.988 4.816 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1595889992 FUQYGAWBNIENSW-INIZCTEOSA-N 441.551 4.585 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)c3nc(Br)c4ccccn34)c(C#N)c2[C@@H]1C 1595890962 GFPMNEMDRUSEPS-GHMZBOCLSA-N 429.343 4.968 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN([C@@H](CC)c3ccc(Br)cc3)CC2)c1 1622737841 RXXVXFDVEYATOU-NRFANRHFSA-N 426.358 4.731 30 10 IJEE C#CCN(C(=O)Nc1ccc(Sc2ccccc2)c(C(=O)OCC)c1)C1CSC1 1623283968 RMVXJUMFCKNTQD-UHFFFAOYSA-N 426.563 4.597 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1624793423 DCCZXRXOZVETMC-XMMPIXPASA-N 433.914 4.831 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 1625851514 DREQLSXYTAHRKJ-HXUWFJFHSA-N 439.462 4.846 30 10 IJEE Cc1[nH]c(C#N)cc1C(=O)Nc1nc2cc(Br)ccc2n1Cc1ccccc1 1628744172 AOLZHTBCKQTWFF-UHFFFAOYSA-N 434.297 4.608 30 10 IJEE O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cnc(O)c(C(F)(F)F)c1 1632760985 LTGYDFCFSVZYGA-NSHDSACASA-N 432.242 4.858 30 10 IJEE C#CC[C@H](NC(=O)N(C[C@H](O)COc1cccc2ccccc12)C(C)C)c1ccccc1 1633351036 JJELEYMKWOLLMJ-ZCYQVOJMSA-N 430.548 4.764 30 10 IJEE C=C(C)[C@H](NC(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 1634436276 XGCGIMUAKFTTNG-REWPJTCUSA-N 430.495 4.981 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCCN(c2cc(Br)c(C#N)cc2F)C1 1640265407 MJVDREXVEJSHMP-CQSZACIVSA-N 426.330 4.734 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 1640868696 RRZNWZIAARCSQR-ZWKOTPCHSA-N 432.952 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCOC1CCCC1 1649539151 KBTRSAWQNALINB-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCOC[C@@H]2c2noc(-c3ccccc3)n2)cc1OC 1652179209 LQHFEEAQYXWIEZ-LJQANCHMSA-N 441.915 4.537 30 10 IJEE N#Cc1ccc(N2CCN(Cc3coc(-c4cc(Cl)cc(Cl)c4)n3)CC2)c(F)c1 1652419817 CDEMWMSTJYQMLA-UHFFFAOYSA-N 431.298 4.981 30 10 IJEE C=CCN(Cc1ncc(Br)cc1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1653296279 KZEGMFCFIWTIEC-IBGZPJMESA-N 437.765 4.660 30 10 IJEE CC[C@H](CC#N)NCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)cc1 1653822491 ADQHLLGQRDLENG-BVAGGSTKSA-N 440.547 4.808 30 10 IJEE C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1cccc(Cl)c1C#N 1654673352 DNSDPHSJSNNXCX-MZNJEOGPSA-N 436.964 4.979 30 10 IJEE CC(C)(C)OC(=O)[C@@](C)(CNCc1cc(C#N)ccc1Br)c1ccccc1 1657627451 BSHBURUMBJUMMS-QFIPXVFZSA-N 429.358 4.710 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)cc1OC 1658615671 PXOBZFRWUFRRGV-JOCHJYFZSA-N 426.985 4.942 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1ccc(C)c(C)c1 1659955347 ABZAKWGOHOLTRO-UHFFFAOYSA-N 426.351 4.723 30 10 IJEE C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1c(Cl)cccc1Cl 1661817273 HWUAPBIYOKWLFA-JTQLQIEISA-N 437.270 4.966 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)c(OC)cc1Br 1664401096 CHJLJNKBMMEZKI-CQSZACIVSA-N 444.778 4.577 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)Nc2ccc(F)cc2C#N)C1 1667628133 BUBHFTYVEABOPX-UZLBHIALSA-N 430.524 4.731 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 1670162636 CKTUKHUYNLNMIL-UCKNYWNBSA-N 441.963 4.581 30 10 IJEE CCCc1c(NC(=O)NCC(C)(C)c2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 1670351874 CYOMBPKSNNZXAI-UHFFFAOYSA-N 431.540 4.804 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 1671186370 XQPIREKHYCQVJK-MZKRTTBSSA-N 429.967 4.959 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1 1672465235 BHTUELGELKVLDT-UHFFFAOYSA-N 427.382 4.854 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(F)(F)F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1673282542 ZBULIPCBEQZBHJ-UHFFFAOYSA-N 443.441 4.711 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1673599530 KKRUNCLVTCKPRV-WIYYLYMNSA-N 434.422 4.848 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)cc21 1675096019 VZDQVJLZTGZOFK-KRWDZBQOSA-N 438.837 4.750 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)cc1 1675796285 IWTCXUCWZPUVGV-UHFFFAOYSA-N 429.307 4.821 30 10 IJEE C#C[C@](C)(CC)NC(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 1677513985 LDKCLTGMWYIPNZ-HSZRJFAPSA-N 427.570 4.605 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccc2occc(=O)c2c1 1681266104 MUGCRSTZCDAGQH-UHFFFAOYSA-N 431.261 4.915 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc2nc(O)oc2c1 1684267202 HDKLQAROAHJZBI-LBPRGKRZSA-N 448.292 4.894 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1689918287 XKGAYRZIRMBHRY-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC(C)CC1 1690240040 AQFKSOJRGJCKDK-NPKLKCOWSA-N 429.996 4.990 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)CC1)c1ccccc1 1690322556 JBCWRGBDHYEEDW-UHFFFAOYSA-N 440.389 4.996 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C/C=C\c2ccccc2)CC1 1690365982 MJHHQALKRWHZTI-TWGQIWQCSA-N 438.373 4.916 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1690414629 DTWPTEJUWLBZRO-QHCPKHFHSA-N 449.599 4.772 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1690447218 MAVBBNBIOARYSY-MYDTUXCISA-N 438.616 4.782 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCCCC1 1690503157 SFAKBDPZOPYNMZ-UHFFFAOYSA-N 449.393 4.689 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)c1ccccn1 1690520893 IIMROVYBIUIJGH-UHFFFAOYSA-N 426.362 4.703 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1CC1=CCCCC1 1690567884 STABVKPXBLTTKT-UHFFFAOYSA-N 447.608 4.963 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1cn[nH]c1 1690587915 BFRPTRYMGFCIFF-UHFFFAOYSA-N 434.544 4.957 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(Cl)cc1 1690607346 KTMGGMFWSHDBPT-HXUWFJFHSA-N 440.975 4.896 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1ccccc1OC 1690749244 WYEARYFQJBFMME-OAQYLSRUSA-N 435.597 4.533 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705528240 ZLCXPQIESJFEJO-UHFFFAOYSA-N 426.467 4.586 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](c1ccsc1)N(C)C 1705605869 DWYFMDCFBQYNSQ-HSZRJFAPSA-N 444.608 4.626 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(Br)c1 1705702135 KRIQZQZWHZEWLH-WIYYLYMNSA-N 447.421 4.857 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(Cc1cccc(F)c1)C(C)C 1705704619 XIFBYEOAYOBONO-NZQKXSOJSA-N 437.563 4.819 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC(F)(F)C1 1705760823 SVZOFQLGCPTMSE-HNNXBMFYSA-N 445.942 4.584 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2csc(C(C)C)n2)CC1 1705770222 WEPGJZHRFRBCKH-UHFFFAOYSA-N 437.613 4.857 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705778283 QDDBWLNCMCXHCW-WAIKUNEKSA-N 434.531 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705789142 ZSXJNEDWTQBFEB-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1705789727 VAUCQEYMTFLWRK-INIZCTEOSA-N 427.622 4.806 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)s1 1705864017 OBYAKXUOHFHRCH-UHFFFAOYSA-N 448.017 4.531 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@H]1CCCn2cc(C)nc21 1705864669 JBDXZCLRMJBKQE-OAQYLSRUSA-N 436.579 4.891 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705871567 ORGHEBKBEBSGEA-QGZVFWFLSA-N 435.597 4.762 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOCC2(CCC2)C1 1705887267 WSULVXFFZKMEDL-SFHVURJKSA-N 430.980 4.881 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1705949296 VEXNURWSGMSUJJ-PBHICJAKSA-N 427.014 4.937 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1708339700 FCMNHMBUOHAVGW-OYHNWAKOSA-N 433.959 4.665 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](COC)C1 1722308015 DKOJEAWWRRZUSW-PMACEKPBSA-N 428.552 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1CC(OCC)C1 1722467225 ONCBGNBPPHTPKC-PJBCDTOXSA-N 440.563 4.755 30 10 IJEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 1722481517 BFXOBXGJNNSAIQ-AWEZNQCLSA-N 439.317 4.587 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1722484830 UVTCLINRDIFARN-UHFFFAOYSA-N 438.320 4.655 30 10 IJEE C=C(C)COCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](F)(C#N)C1 1722528479 HHMBHESLYHIHAX-OAQYLSRUSA-N 445.951 4.848 30 10 IJEE C=CCCCCn1c(N(C)CC2CN(C(=O)OCc3ccccc3)C2)nnc1C(C)(C)C 1722609607 FPMOIUXBAWCHLN-UHFFFAOYSA-N 439.604 4.637 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](OC)C(C)C)C1CC1 1722645824 BCZPVLRFCMZWGL-LJQANCHMSA-N 433.394 4.842 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(OC)nc1)C1CC1 1722646630 STIIBIWANWYGGD-UHFFFAOYSA-N 430.339 4.859 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C#N)o1 1722661687 OJNWMTDMWPUKKG-UHFFFAOYSA-N 446.492 4.620 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc([C@H](C)O)cc1 1722661812 AWNPLQLAJPTJFB-IBGZPJMESA-N 445.592 4.620 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1722682417 IDKLISXGZHBMQJ-IRXDYDNUSA-N 431.378 4.537 30 10 IJEE COc1ccccc1[C@@H](Cn1c(C2CCCC2)nnc1N(C)[C@H](C)CC#N)N1CCCC1 1730257328 DGSHUEIIUVITDA-DENIHFKCSA-N 436.604 4.520 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCC(C)CC1 1740534915 KVPTYECWJGKSDL-WOJBJXKFSA-N 444.023 4.651 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCOC(C)(C)C 1740568549 YXGOHKJBSUIIPB-UHFFFAOYSA-N 433.394 4.762 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC1CCN(CC)CC1 1740602684 YXISGEVUQODDKU-UHFFFAOYSA-N 448.640 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740733602 NVJRGHZNIDYADN-MLKSZZLFSA-N 447.671 4.956 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCC2(CCOCC2)C1 1740787113 AQNJCRMZWYISSJ-QHCPKHFHSA-N 438.616 4.810 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C2CCC1(C)CC2 1740789569 NYRJDVCEMGNETO-UHFFFAOYSA-N 437.407 4.883 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1740820681 MVUGQKFEYKHFBL-RTBURBONSA-N 444.023 4.643 30 10 IJEE C=CCCCCn1c(N2CC[C@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740866474 FGKULXASUFBGQB-SLFFLAALSA-N 431.625 4.887 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740880533 XWDZYISUCVGJEO-WTIAFYNJSA-N 438.616 4.982 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC[C@@H]1OC 1740894531 XHIPRAALAKRDSK-GUYCJALGSA-N 439.785 4.798 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740944296 YCDJIDQTIAABFL-CQSZACIVSA-N 445.976 4.714 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCc1nccs1 1748642458 PAIGAWNFSUGYBS-CVEARBPZSA-N 429.977 4.619 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1749110122 GYRBJYDKLHVZEE-HNNXBMFYSA-N 449.368 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@H]1N(C)CCCC1(C)C 1749171565 XWQXEBURZQKSFE-HSZRJFAPSA-N 439.648 4.942 30 10 IJEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC(C)C)C1CCCC1 1749175193 SAKKNTDDNJOEDT-UHFFFAOYSA-N 444.649 4.528 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1749561152 HKQVLACCQUQFME-OYRHEFFESA-N 437.632 4.889 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2nc(C)c(C)s2)C1 1749703700 NAJCGZNLMIFRJA-MRXNPFEDSA-N 429.977 4.501 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCS1 1760123456 GJASKRYHYFKATM-ZBFHGGJFSA-N 439.412 4.908 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760132676 QUQWOEUNNLFHEL-UHFFFAOYSA-N 438.881 4.750 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCSC1(C)C 1760196599 JVTXSDQUWNKBCY-IBGZPJMESA-N 438.666 4.880 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)Cc1cc(Cl)ccc1OC 1760283621 UQUIHMWPDSQHNP-UHFFFAOYSA-N 433.021 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCO[C@H]1CCCC[C@H]1C 1760298444 IHBNILGAWMJIBU-VIICAESSSA-N 436.600 4.753 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)C1 1760311804 AYXYFOAPTCNSKL-HNNXBMFYSA-N 433.394 4.909 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(C)(C)C 1760313384 NGCWDMQZTSDNGW-PZJWPPBQSA-N 439.604 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1760322155 OMMREPBTLUYUHT-HRAATJIYSA-N 436.522 4.902 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(Cl)nc1 1760339592 NQQBBLCVWXZLDP-UHFFFAOYSA-N 425.964 4.571 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1760391531 GURCBYYWXMGIGZ-UHFFFAOYSA-N 443.473 4.518 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCC(C)(C)C2)CC1 1760403535 WKHXFSJHHDZVOU-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H](C)C#N 1760411873 FMYGJEZBVVXWJB-MOPGFXCFSA-N 444.624 4.591 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(F)cc1 1760426596 YEPNWMUIEXONFL-MRXNPFEDSA-N 425.508 4.699 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1760432601 KQAHCTJHJBYPSL-CTNGQTDRSA-N 427.568 4.588 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760436849 IENRYQCJHNHSII-WBVHZDCISA-N 449.393 4.686 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1760446639 YEGNBYWOLOUHEX-FQEVSTJZSA-N 437.500 4.689 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1760459714 CHOHHEKYKBCELI-WIYYLYMNSA-N 442.604 4.814 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC1(OC)CCCC1 1760482508 IHYOXTJOMWZBCY-UHFFFAOYSA-N 437.613 4.786 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1(O)CCCCCC1 1760483278 LKGXNJLCMWXPEC-UHFFFAOYSA-N 437.563 4.701 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CCCN(C(C)C)C1 1760483539 TVZIMPZXOCDSEX-NRFANRHFSA-N 448.590 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(C2CC2)CC1 1760493456 FMQDOWFGMDCFPD-UHFFFAOYSA-N 441.620 4.761 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@H](C)c1c(C)noc1C 1760500122 SUCJGQBYRQEYBO-KRWDZBQOSA-N 432.528 4.577 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCOC)Cc1ccc(C#N)cc1 1760508400 ZAQUQZJWIPQLQA-UHFFFAOYSA-N 447.608 4.986 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1760568420 IMWJHMLIHNLCRT-FPOVZHCZSA-N 426.630 4.671 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCO[C@@H](C)C2)C1 1762462147 GFTZGVLWTCGJGC-ZYLNGJIFSA-N 437.588 4.560 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@](C)(OC)C1CC1 1769871806 BYVVIFXGXSQOSV-PKTZIBPZSA-N 443.979 4.552 30 10 IJEE O=C(O)c1ccc(/C=C2/SC(=Nc3cccc(C(=O)O)c3)N(c3ccccc3)C2=O)cc1 1772736161 KSOAYVCTADGYLF-WMNDBZMJSA-N 444.468 4.892 30 10 IJEE C=CCOc1ccccc1C=NN=C1NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)S1 1772742267 JYOQQRZWNQJDSE-SFHVURJKSA-N 434.348 4.722 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCOc3ccc(F)cc3)cc(C)c2c1 1859657044 OQTIPRFCGXPIGK-UHFFFAOYSA-N 443.482 4.764 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc4oc(C)nc4c3)cc(C)c2c1 1859750305 VOKOPPOJVUMLHP-UHFFFAOYSA-N 436.475 4.919 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1862384122 PFUYRWYZWWICMB-GOSISDBHSA-N 448.302 4.926 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(F)c1 1862413723 JUJNXCHPDQELOA-OAQYLSRUSA-N 447.453 4.889 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)cc1O 1862435663 BGPZAXIUIMVOSI-HXUWFJFHSA-N 429.900 4.679 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862484498 OCMWHXBPETZHFL-ORAYPTAESA-N 429.900 4.739 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(OC)c1 1862549462 PMPWECCREBRVQE-NPMXOYFQSA-N 435.520 4.656 30 10 IJEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc(O)cc2)cc1 1862555939 LJFRBFOHVMUWQY-VOIUYBSRSA-N 442.515 4.876 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc(O)cc1 1862613509 JKVZJZCYSDORJY-QFIPXVFZSA-N 437.536 4.695 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862661382 ATWBLAZOIBSXPE-DEOSSOPVSA-N 443.547 4.917 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 1862749157 RLATUUZWDCGYFR-HXUWFJFHSA-N 426.444 4.893 30 10 IJEE N#Cc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 1863079029 SMNUQSOMGXYMCQ-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(C[C@@H]2CCCO2)C1=O 1863640871 NPKNMLKDHDIPCP-IBGZPJMESA-N 430.564 4.815 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@@H]1c1cccc(C)c1 1864867134 NHZUOSIRMPDOAX-NRFANRHFSA-N 438.616 4.945 30 10 IJEE CC[C@](C)(NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867754691 DHXWUXHSTOMSBH-JTSKRJEESA-N 448.350 4.590 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)c1cc2ccccc2o1 1870155768 DMAFJJJHBUHVHC-UHFFFAOYSA-N 431.761 4.810 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(C#N)nnn1-c1cccc(Cl)c1 1870156685 ACMZLCRRMILFLL-JTQLQIEISA-N 436.686 4.505 30 10 IJEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CSc1nc2ccccc2s1 1870261657 CRTRTHZQVWPUGL-UHFFFAOYSA-N 444.578 4.657 30 10 IJEE C=CCn1cc(OCCCCOc2ccccc2)c(=O)cc1CNc1cccc(OC)c1 1871225909 PWOKWFBSLKHFNS-UHFFFAOYSA-N 434.536 4.893 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OC(C)=O)c3)ccc2C1=O 1871390146 INWNZPBCWIVKHH-OYKKKHCWSA-N 444.439 4.846 30 10 IJEE CCN(CC)CCOc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 1871451934 VIFPMUATCIRAKF-OYKKKHCWSA-N 434.536 4.832 30 10 IJEE CCCCCCCCNC(=O)c1nonc1OCC(=O)Nc1ccc([C@@H](C)CC)cc1 1872702697 ZWUDNPNFGPGJTM-KRWDZBQOSA-N 430.549 4.691 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cl)c(C)c2)cc2c(NCCCn3ccnc3)ncnc21 1873640272 KLUVJOTTYVXAKP-UHFFFAOYSA-N 449.946 4.530 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1cccnc1 1874241187 TUMZYDVWYJXMFM-WGOQTCKBSA-N 445.548 4.825 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(C(=O)O)cc1 1874256276 RURHIMVMEBIKGX-ZMOGYAJESA-N 438.553 4.865 30 10 IJEE CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1cccc(Br)c1 1874313303 NZDSEQFUKISHRM-HYARGMPZSA-N 445.386 4.829 30 10 IJEE Oc1cccc(/C=N/n2c(CCc3ccccc3)nnc2SCCc2ccccc2)c1 1874403781 RSIIOIRJFVARRU-LGUFXXKBSA-N 428.561 4.986 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cccc(F)c1 1874465892 GZWONYRWNZWRLF-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C(C)(C)C 1874486821 MEZHXHIBTILNOE-DXRSZSRVSA-N 441.626 4.797 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874509420 BPGYQICXVBWQBB-FOKLQQMPSA-N 434.924 4.912 30 10 IJEE CCOc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OC(C)C)c(OCC)c2)cc1 1874565000 BBMYDQJMEJINHV-BUVRLJJBSA-N 440.569 4.624 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCO3)c(C)c1 1874582855 JZBJKUKZVFWOAG-DHZHZOJOSA-N 429.472 4.946 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cccc1OC 1874590952 MRANRECUAKZVQJ-ZRDIBKRKSA-N 431.916 4.501 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCO1 1874663520 OSKKYSISFCBMEQ-ZEQRLZLVSA-N 441.616 4.631 30 10 IJEE Cc1ccc(NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1C#N 1909928417 STZZWFBAVFOZMQ-AREMUKBSSA-N 449.551 4.649 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccnc(CNC(=O)OC(C)(C)C)c1 1922085942 MQYBJPIXMSQLOE-HSZRJFAPSA-N 425.573 4.920 30 10 IJEE CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ocnc1C(=O)O 1952313963 ZXONMXVSWQWEMH-FQEVSTJZSA-N 438.505 4.661 30 10 IJEE CCNC(=O)c1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079207541 HRLFYFUQSDLGEH-UHFFFAOYSA-N 448.136 4.561 30 10 IJEE C[C@H]1CCN(c2ccc(C#N)c(Br)c2F)[C@H](CNC(=O)OC(C)(C)C)C1 2118198319 FTNQPCZCGOACCC-JSGCOSHPSA-N 426.330 4.589 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3ccc(Br)cc3Cl)C2)OC1(C)C 2132683936 UZROPPNULUGOLN-UHFFFAOYSA-N 426.547 4.506 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1c1cc(Br)cc(F)c1C#N 2174766562 BXIKIPSJTSRISL-JDFRZJQESA-N 438.341 4.732 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ccccc2c1Br 2180913271 YBCHZLWFINRYGR-KRWDZBQOSA-N 431.330 4.848 30 10 IJEE CC1CCC(C#N)(NC(=O)c2ccc(Br)c(NC(=O)OC(C)(C)C)c2)CC1 2181055898 NELCTBKYJTWVNK-UHFFFAOYSA-N 436.350 4.998 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccc(Br)cc1C#N)C1CCCCC1 2186646137 WQXRUMRXFRJKKM-UHFFFAOYSA-N 436.394 4.980 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190479673 VHMCEWMVILCBKB-MZURWIMNSA-N 448.416 4.509 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C 2235731478 QCPORMDXDCVZRZ-DBVUQKKJSA-N 435.406 4.957 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)s2)OC1(C)C 2241487201 ZETXLPJEXARDTB-UHFFFAOYSA-N 433.382 4.890 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)OCC3c4ccccc4-c4ccccc43)n2)OC1(C)C 2241556139 UDOUNBZRCNQZRC-UHFFFAOYSA-N 442.324 4.742 30 10 IJEE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OCC#N 2243585886 ICQAPEXVLYSGLL-UHFFFAOYSA-N 444.443 4.657 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(Cl)c(C)c(B2OC(C)(C)C(C)(C)O2)c1 2247841404 WITKGRHRIXFECX-UHFFFAOYSA-N 425.765 4.776 30 10 IJEE C#CC(C)(C)C[C@H](NCCC)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248454038 OQNQFRRAWBFNDA-QFIPXVFZSA-N 428.617 4.858 30 10 IJEE CC1(C)OB(c2cnc(Nc3cc(Cl)c(Br)cc3F)c(F)c2)OC1(C)C 2284358330 GHCCEROQNMUJMK-UHFFFAOYSA-N 445.500 4.819 30 10 IJEE CCOc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1 2294010681 DLXNWEMRUSGGDF-UHFFFAOYSA-N 434.473 4.935 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1Cl 2296079428 NBPAWCJTGYKUEV-OAQYLSRUSA-N 434.879 4.678 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](N)(C#Cc2ccc(Br)cc2)C12CCCC2 2296219889 SKYNAUGKJYMCAQ-NRFANRHFSA-N 433.390 4.842 30 10 IJEE CCCN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C#Cc1ccc(Br)cc1 2296221806 LYZFCPQYRSTAAR-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC([C@H](O)C#Cc3ccc(Br)cc3)C2)C1 2296277910 YBRRPPYOEHJRQS-IMYXXEESSA-N 434.374 4.589 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)C=CCN1C(=O)OC(C)(C)C 2296292620 ALOVNHBRJODFRH-KNQAVFIVSA-N 433.390 4.734 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CN(C(=O)OC(C)(C)C)c1ccccc1 2296311353 WFQJFMAQWNHTOT-IBGZPJMESA-N 429.358 4.830 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccccc3OC)CC(=O)O4)C2=O)cc1 2297595865 NQRYIOZJFVFIMT-LJQANCHMSA-N 428.440 4.761 30 10 IJEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)Nc1cc(C)ccc1C 2297650107 IFAMMEIOXMLBNN-IEBWSBKVSA-N 431.458 4.531 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1Cl 2297734879 GOGMZHBCKSYJFV-QHCPKHFHSA-N 438.955 4.660 30 10 IJEE C=CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1ccccc1C(=O)O 2314926148 CBKNBPWZRUSJFE-UHFFFAOYSA-N 443.322 4.937 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)c1 2322801366 YCEURVFPKKAJHX-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCOc1cc(C=NNc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc(Cl)c1O 2323865313 KLCSFOQHSHRALU-UHFFFAOYSA-N 430.917 4.972 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)c1 2324745273 XWXPLVHVLLAWEL-UHFFFAOYSA-N 431.400 4.577 30 10 IJEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)c1 2325721220 KYGLPMJCCIRBLC-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3cncc(C)c3)c2)c(OC)c1OC 2325787433 LAJXDHUUCGXNIB-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326002873 WRKIVDYZNPUKLW-UHFFFAOYSA-N 445.932 4.846 30 10 IJEE COc1cc(C=Nn2c(Cc3cccc4ccccc34)nnc2SC)cc(Cl)c1O 2327702783 RXGHWZLEICFXLI-UHFFFAOYSA-N 438.940 4.994 30 10 IJEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c(Br)c2)cc1 2330749866 UGKUUPYNCKBIMR-UHFFFAOYSA-N 437.293 4.917 30 10 IJEE CSc1nnc([C@H]2CCCO2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330883106 NELJTPAMDNLYAV-LJQANCHMSA-N 428.945 4.966 30 10 IJEE CCc1ccc(C=Nn2c(SCc3ccc(C(=O)OC)o3)nnc2-c2ccco2)cc1 2331201579 JXTXFVYRCJJHML-UHFFFAOYSA-N 436.493 4.655 30 10 IJEE C=CCc1cc(C=CC(=O)c2cc(C)ccc2OC)cc(OC)c1OC(=O)[C@@H]1CCCO1 2331375964 BGEJYCMXRSTBND-QHCPKHFHSA-N 436.504 4.721 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1cn(C)c2ccccc12 2331734159 PLJWCBPFUUKAJV-UHFFFAOYSA-N 444.564 4.569 30 10 IJEE CC#CCN(C[C@H](NCC)c1c(F)ccc(Br)c1F)C(=O)OC(C)(C)C 2337920506 GMMRARZGLOSROF-HNNXBMFYSA-N 431.321 4.638 30 10 IJEE CC(C)(C)OC(=O)NC1CC(CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339593374 FDHBVOLDDPPSKC-UHFFFAOYSA-N 444.381 4.798 30 10 IJEE CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)S/C1=N\c1ccccc1 12629961 HZRGEBLDRWVLAF-GUYNSBPLSA-N 443.528 4.938 30 10 IJEE C=CCOc1ccc(/C=C(\Cl)c2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1 18064526 GBTIIDHQTMXDLX-RGEXLXHISA-N 445.972 4.608 30 10 IJEE CCCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OCC)cc1)C2 21256192 QRCYNCKSVUQZDA-NQIIRXRSSA-N 449.547 4.887 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(Br)cc1 38704812 IWMMNYIJNOKEGJ-NRFANRHFSA-N 438.325 4.893 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1cccc(OC)c1 59807790 PWYPTJURYGHLFU-UHFFFAOYSA-N 426.567 4.592 30 10 IJEE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)Nc1ncccc1OCCCC#N 72087517 ROZFBGLQOYQZAE-VAWYXSNFSA-N 449.942 4.931 30 10 IJEE COc1ccc(NC2=C/C(=N\S(=O)(=O)c3cc(C)ccc3C)c3ccccc3C2=O)cc1 103746221 IRNGHXKMVCTYRZ-HPNDGRJYSA-N 446.528 4.682 30 10 IJEE N#C[C@@H](NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc(F)cc1F 111219754 LFCVMMNFKGSGQV-OYLQIYHASA-N 430.304 4.562 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1ccccc1O 169942672 XIPLSPAWHPEOMK-HSZRJFAPSA-N 441.439 4.930 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccncc1 170019655 WRNRIBFOMFGFHP-QFIPXVFZSA-N 446.890 4.761 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)s1 170104164 JJDNRBRAHBJNSY-HXUWFJFHSA-N 447.516 4.921 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(F)c2)c1 170140174 VQFDHAMTEJXKLO-NRFANRHFSA-N 432.407 4.825 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccn2)c(OCC)c1 170173116 KHAFSZXOZBKQKP-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccncc2)c(C)c1 170205682 BERDCOUSVHLKEY-MZNJEOGPSA-N 440.499 4.805 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c1 170225573 ARMKPTKHKJUBFJ-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1OC 170227112 IENXNTFBGKAYGP-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)c(OC)cc3C)[C@@H]2c2ccco2)c1 170278899 ODRADCAMHUMSPM-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2c(C)[nH]c3ccccc23)cc1 170404035 LJFYJEXDZHXELI-JOCHJYFZSA-N 428.444 4.861 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170455280 VOHYTYRWKXCHKA-HSZRJFAPSA-N 446.551 4.924 30 10 IJEE CC(=O)c1c(C)oc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)c1C#N 170500664 FJMITAOIOVRJIH-UHFFFAOYSA-N 437.459 4.742 30 10 IJEE CS(=O)(=O)c1cccc([C@H](Nc2cc(C#N)nc3ccccc23)c2ccc(F)c(F)c2)c1 301463748 KJJQTIUBCMIXRC-DEOSSOPVSA-N 449.482 4.990 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 406718690 SLPSOONWSRUBKM-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C=CCC[C@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)c1ccccc1 428023068 NZHQCGZLPKNORR-YADHBBJMSA-N 434.584 4.994 30 10 IJEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1c[nH]c2ccccc12 460795041 RDPSOIXRHCEFCI-UHFFFAOYSA-N 428.540 4.751 30 10 IJEE N#Cc1cc2c(nc1NC(=O)CSc1nnc(-c3ccc4ccccc4c3)o1)CCCC2 484173278 JEQRXIFKUNFGJQ-UHFFFAOYSA-N 441.516 4.766 30 10 IJEE N#C[C@@H](NC(=O)c1c(F)cccc1I)c1ccc(Cl)c(Cl)c1 505959205 DXQUVBJKNHFKJL-CYBMUJFWSA-N 449.050 4.732 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 508801740 NEVIJLPHQMNXRX-UHFFFAOYSA-N 443.020 4.831 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 519188153 FBGSSGGCGLFRFB-HRAATJIYSA-N 437.371 4.602 30 10 IJEE CN1CCC[C@@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H]1c1cccs1 525551739 DZJLVUJRFPHAAK-MBSDFSHPSA-N 435.549 4.605 30 10 IJEE COC(=O)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526522302 QVAKQNCORPDCEX-QFIPXVFZSA-N 428.419 4.541 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 579410713 UCNQIPFDJYGMFU-JOCHJYFZSA-N 439.567 4.519 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](c2cc(C)cc(C)c2)C1 579931978 COWIVIBAINUQJD-LJQANCHMSA-N 440.551 4.781 30 10 IJEE C=CCC1([C@H](Cc2ccc(Br)o2)NCCC)CN(C(=O)OC(C)(C)C)C1 722919990 GAHXNDRXTDXARJ-INIZCTEOSA-N 427.383 4.766 30 10 IJEE N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)CCN1C1CC1 732650895 LKMXGCDQCIJDTH-PUWPPSGDSA-N 438.531 4.517 30 10 IJEE C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 735307052 XZHBBHRBIRILNE-INIZCTEOSA-N 426.973 4.731 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2nncs2)cc1)[C@H]1C[C@@H]1c1ccccc1Cl 751133490 AUZQQKQJUPOLQP-IAGOWNOFSA-N 447.973 4.584 30 10 IJEE CC(C)c1ccccc1OCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 751823644 BGDQHJWAUDDCAF-HNNXBMFYSA-N 426.538 4.571 30 10 IJEE O=C(/C=C\c1cn(-c2cccc(Cl)c2Cl)nn1)c1ccc(C(F)(F)F)nc1O 754687075 YXCMOCLCZFKNIR-XQRVVYSFSA-N 429.185 4.590 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 759230642 GNNNVWMCTODHDC-QHAWAJNXSA-N 428.488 4.657 30 10 IJEE C=CCOc1c(Br)cc(/C=C2/CCc3cc(C#N)cnc3C2=O)cc1OC 788363061 OVNVNUOOYYBDRT-APSNUPSMSA-N 425.282 4.502 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 799219047 KPRGBTIZAVPNSA-GOSISDBHSA-N 445.466 4.607 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 800593087 UHZYSIZNCOZCLU-UHFFFAOYSA-N 428.535 4.625 30 10 IJEE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1 920806838 RAJKGSWPMHLWTN-XJKSGUPXSA-N 435.455 4.780 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(C(F)(F)F)c1 1084320949 FJJFSSOLQBYYNW-INIZCTEOSA-N 439.434 4.825 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2C)n[nH]1 1084496190 PKLLSFHSFDIKHO-COMMNBNSSA-N 440.960 4.999 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cccc(C#Cc4ccccc4)c3)ccc2c1=O 1087689693 GFKNLMOQYWRCLS-UHFFFAOYSA-N 437.524 4.523 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2csc(I)n2)c1 1125841816 BAXQSOQTWFBKDG-UHFFFAOYSA-N 444.297 4.576 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1126224932 GAROCASZLNWZLS-DEOSSOPVSA-N 445.560 4.606 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3ccc(Br)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1126527222 RRUAHYIFNLKRNF-HXUWFJFHSA-N 449.349 4.610 30 10 IJEE C=CCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1)C1CC1 1127509462 ALIXRZBIBKGZFB-UHFFFAOYSA-N 434.565 4.520 30 10 IJEE C#C[C@@H](NC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F)c1ccc(Cl)cc1 1129604826 LVNZIRQIAIFQKX-QGZVFWFLSA-N 430.817 4.997 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)CC)CC2 1140345881 MNYBGJLHCIGBHB-DOTOQJQBSA-N 433.618 4.929 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 1156688041 NNFKOKRCUVLGTM-HXUWFJFHSA-N 427.342 4.568 30 10 IJEE C=CCn1c(SCCNC(=O)c2cccnc2Oc2ccccc2)nc2ccccc21 1164497598 JNWYONWCANOPGB-UHFFFAOYSA-N 430.533 4.932 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@H]3CCC(=O)N3)c2)cc1OCC 1178962880 UWXGDDHTGRSUHW-LJQANCHMSA-N 445.357 4.976 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 1188229670 FPALOZGZTZMZRM-HXUWFJFHSA-N 432.879 4.866 30 10 IJEE C[C@H](NCC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 1193292751 ALEDTJKRLPFGBX-FQEVSTJZSA-N 439.563 4.900 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21)C(C)C 1220600587 OYCNIEYHDNTGPD-XPWALMASSA-N 441.616 4.555 30 10 IJEE C=CCN(C(=O)c1cncc(-c2ccc(C)cc2)c1)[C@H](Cc1ccccc1)C(=O)OCC 1269214155 DXPPMTXUKBDVQB-RUZDIDTESA-N 428.532 4.860 30 10 IJEE C=C(C)[C@H](NC(=O)/C=C\c1ccc(I)o1)c1ccc(F)c(F)c1 1269600536 UAIRQBGHOFOGDT-AFCDSYGPSA-N 429.204 4.609 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 1273680099 ALKRVWMWHPIBFM-UHFFFAOYSA-N 433.309 4.531 30 10 IJEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286319913 ZFTLGNVLLBRJFM-LJQANCHMSA-N 435.597 4.906 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CC(C)C)CC1 1286425971 FHUICIATTLXINA-UHFFFAOYSA-N 427.552 4.889 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(CC)CC1CC1 1286553385 QAIMDTJCAYQZMJ-JLMWRMLUSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1286559953 ZWDJCBAOVYBPHT-LZNRXBQRSA-N 445.007 4.507 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2cc(OC)c(OC)cc2C)nnc1C(C)(C)C 1286565071 IQQSPMMOGMJMSV-XMSQKQJNSA-N 442.604 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1286567581 RKWQXQHDDOYKIC-ZYKOEDHHSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cc(OC)ccc1OC(F)F 1286573458 LOAOMXWWQIYOLT-UHFFFAOYSA-N 443.498 4.709 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CCOCC 1286623206 QLCZEUQTFKNVCQ-UHFFFAOYSA-N 427.774 4.631 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCCSc2nccs2)CC1 1286647954 LXHZXIMTWPDBDC-UHFFFAOYSA-N 441.626 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286666189 CYDXDIVBTISTQT-NRFANRHFSA-N 434.588 4.902 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1286687089 MQBNQLLIFOLCEK-NZQKXSOJSA-N 439.604 4.600 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286696656 MDSHQHWUUKRXAC-GOSISDBHSA-N 442.951 4.649 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C)CC1)C(C)C 1286751098 MWRTWWVDLGLEEU-ZRBLBEILSA-N 429.653 4.845 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C(N)=O)cc1 1286753186 WZBOOSOXZZAWMI-UHFFFAOYSA-N 447.608 4.601 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286771569 YIOZGPCPZHGJHZ-ROUUACIJSA-N 449.393 4.542 30 10 IJEE C=CCC[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1)c1ccccc1 1288733383 WLNQZZQJUSXCAG-YADHBBJMSA-N 442.600 4.659 30 10 IJEE CC(F)(F)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1288981556 DQDNKOHDDCKFTI-QHCPKHFHSA-N 436.510 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCCCC 1300790675 URANRHSEGHSILW-OAQYLSRUSA-N 431.378 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1ccc(Cl)s1 1300881495 OSGOHMUSPPCVDH-BEFAXECRSA-N 431.993 4.996 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1 1300970041 IQZNXNSHICTKPT-FYYLOGMGSA-N 437.632 4.716 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](c2ccco2)N(C)C)CC1 1301075666 NDUFTAJMKPPILK-LJQANCHMSA-N 429.927 4.790 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1301126411 VCPYEKZYZYTEEA-HXUWFJFHSA-N 445.652 4.916 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCCC2)C1 1301175921 LSSHSRXJFQESBF-UHFFFAOYSA-N 448.409 4.552 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1301187042 OATGYNBKZTYFBA-QFIPXVFZSA-N 437.588 4.731 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1301222642 BQXUKQUJSAUKLD-GOSISDBHSA-N 431.575 4.994 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cscc1C)C1CC1 1301317520 WTXYITHGWZYHRU-UHFFFAOYSA-N 440.569 4.544 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CC1(SC)CCC1 1301340396 GQUZSSXFKVRQDX-UHFFFAOYSA-N 430.581 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccnc1OC 1301375082 HTBVMBUMTDMFER-QGZVFWFLSA-N 435.597 4.762 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@H](C)C1 1301399442 NFFFNQSNHTWZJJ-IRLDBZIGSA-N 444.583 4.597 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1CC1CC(C)(C)C1 1301777564 CIJRSSSBBZWDGR-UHFFFAOYSA-N 433.556 4.807 30 10 IJEE C#CCC1(O)CCN([C@@H](C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c2ccccc2)CC1 1308033124 LMLPIUKREKKCPI-HSZRJFAPSA-N 445.588 4.649 30 10 IJEE COC(=O)c1sc2ccccc2c1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1310360439 BBDNLUFMMMIMSQ-UHFFFAOYSA-N 433.411 4.900 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(C#N)c(Br)c1 1351336508 RLQBSFHGSKCIFK-UHFFFAOYSA-N 425.735 4.629 30 10 IJEE CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1 1358084615 HVJXJAWCMRGWAG-UHFFFAOYSA-N 443.503 4.934 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)CSc1ccccc1Br 1358095601 OHTDQOUVXPTIQI-UHFFFAOYSA-N 426.339 4.677 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 1358377998 OJHPJPZLPWUSMG-OAQYLSRUSA-N 431.349 4.940 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1(COC)CCC1 1358972901 XKKMFZBRYSKWHZ-UHFFFAOYSA-N 436.625 4.555 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1sc(C)nc1C 1358986433 WRPCZCQCJCKKMQ-HXUWFJFHSA-N 447.608 4.619 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(C)cc1C 1359115427 YPQZYEGHANKGKN-UHFFFAOYSA-N 428.584 4.779 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1359176253 QYMBEYBSWARROF-OAQYLSRUSA-N 443.039 4.906 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C[C@@H]1CCOC1)C1CC1 1359209600 RYZOBABNNZGYQG-HNNXBMFYSA-N 449.368 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[S@](=O)C(C)(C)C 1359268642 XTFVAKCJMAWPOV-ZOKDDAQRSA-N 446.686 4.857 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1c(F)cc(Br)cc1F 1361171828 ZGAJIRBDUIHGOC-CQSZACIVSA-N 446.292 4.643 30 10 IJEE C=CCC[C@@H](C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccccc1 1435190996 JSZOXAIGJPHTNK-JOCHJYFZSA-N 445.529 4.823 30 10 IJEE CCOc1cc(Br)c(CC(=O)Nc2ccc(C#N)cc2C(C)=O)cc1OCC 1436274987 HOEYVAXRTXMJQF-UHFFFAOYSA-N 445.313 4.502 30 10 IJEE C#CCN(C(=O)[C@H](CCCC)ON=C(C)C)[C@H]1CCOc2ccc(Br)cc21 1465180152 XTVFXTSYYJNNKI-ICSRJNTNSA-N 435.362 4.706 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c(Cl)c1 1467402555 AUGSAHPIVYHPFX-OAHLLOKOSA-N 426.854 4.600 30 10 IJEE C#C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccc(F)cc1 1468328823 QXQBHIFYYMSYKG-SFTDATJTSA-N 440.515 4.671 30 10 IJEE CC(C)C[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)N[C@@H](C)c1ccccc1 1469350867 HPXCWXUDSFQOIY-WIOPSUGQSA-N 447.627 4.545 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 1470491073 WSGYQUHQGSEKJD-CQSZACIVSA-N 449.370 4.510 30 10 IJEE C#CCN(Cc1ncsc1Br)[C@@H]1CCOc2ccc(Br)cc21 1473167341 GHUNPABBKVXQRL-CQSZACIVSA-N 442.176 4.627 30 10 IJEE C=CCOc1c(Cl)cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1OC 1473941251 ZFANMZUSTHBANH-IAGOWNOFSA-N 448.966 4.956 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 1474383757 GLWOSBWTYIXJGP-KRWDZBQOSA-N 425.891 4.921 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)cc1 1475974165 SBLYOTKEJVHYBQ-XZOQPEGZSA-N 441.597 4.683 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1)c1ccc(Br)cc1 1478895454 CPNCAPRXJVBHIW-NQERJWCQSA-N 427.342 4.925 30 10 IJEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)C2CC2)C1 1499878415 HDLURNIIOAQVAS-JOCHJYFZSA-N 448.615 4.528 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCN1CCCC[C@@H]1C 1507609307 QSNZSJHXTKQAJD-KRWDZBQOSA-N 434.415 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(Cl)s1 1507682530 QRKREKIXGPCKGV-UHFFFAOYSA-N 441.807 4.992 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@]1(C)CCCS1 1507694143 JXLYLMXPZWKIJR-QHCPKHFHSA-N 447.048 4.997 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)c(F)c1 1507800290 ZOOFCYLZUGTPRU-XMSQKQJNSA-N 440.519 4.612 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN(C)C(C)C)CC1 1507897980 VCTQMWBLBYKDLM-IBGZPJMESA-N 429.584 4.690 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1507931540 BOIROCHMRDJDDS-XMMPIXPASA-N 437.975 4.534 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2ccc(F)cn2)CC1 1507943266 CLEUDEXXCOFLAR-UHFFFAOYSA-N 444.917 4.565 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1Cc1nccs1)C1CC1 1507991552 ZBGBPYMCSHTYGW-UHFFFAOYSA-N 434.338 4.506 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(OC)c1 1508006000 FHIRYHZWZCDXJK-UHFFFAOYSA-N 426.586 4.895 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H](C)C1 1508023041 ABEQWHYQFWFBAG-OAQYLSRUSA-N 433.600 4.814 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 1521590457 OCHXXELJMDBRAF-FOIQADDNSA-N 434.565 4.636 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2-n2ccc(C3CC3)n2)cc1 1528315618 BBFFKZQSVOKIBZ-UHFFFAOYSA-N 426.520 4.816 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1sc(N(C)C)nc1Cl 1529486362 ZNGMEQLMEZWNHX-UHFFFAOYSA-N 432.746 4.593 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)CC2)c1 1530326187 FALFHURPDNGBET-UHFFFAOYSA-N 446.938 4.793 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(CC)(N3CCCCC3)CC2)CCCN1C(=O)OC(C)(C)C 1533717013 KSIRCHKWWRJJGN-VWLOTQADSA-N 433.637 4.589 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2occc2C)c1 1534324903 OWLPNTRIQCAVTG-UHFFFAOYSA-N 445.924 4.980 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)Cc1cnc2ccccc2n1 1535433030 MPEOXOBYXNNRRR-AWEZNQCLSA-N 426.314 4.774 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1539124363 NXDWQUYRYYVYSP-QGZVFWFLSA-N 441.551 4.709 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C)CC1 1539623221 LDPOHMYKPIVSHN-UWJYYQICSA-N 430.980 4.825 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN1CCC(C)CC1)C1CC1 1540095764 VCACTPBPISVRSQ-UHFFFAOYSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)c1ncc(C)s1 1540147993 YOJZZLJGPHXILE-FUHWJXTLSA-N 443.642 4.995 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1540186915 ILQWBBDLPLNLRZ-NZQKXSOJSA-N 426.605 4.900 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC=CO1 1541972800 BRJJDIISGYMHGK-LAUBAEHRSA-N 441.963 4.894 30 10 IJEE CN1CCN([C@@H](C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)c2ccccc2)CC1 1543196679 AUIVAMYGOQNDOR-RUZDIDTESA-N 442.588 4.637 30 10 IJEE C[C@@H](CN1CCCC1)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H](C)CC#N 1543858973 BWLBPJHLVFHKNO-CEXWTWQISA-N 440.661 4.602 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(-c3ccccc3F)nnc2N2CCC(CC#N)CC2)(N(C)C)C1 1543874205 CQITZNAEKCMTKV-CLOONOSVSA-N 438.595 4.725 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C(=O)OCC 1544338368 CJCGUJIEGWHWDK-OAHLLOKOSA-N 445.730 4.772 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 1557063856 BHXKCMDLTSXAFU-CLJLJLNGSA-N 426.516 4.755 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)c1ccccc1 1557749702 QYGZPWFINOQJSD-IRXDYDNUSA-N 429.358 4.566 30 10 IJEE Cc1c(Br)cccc1C[C@H](CO)CNc1ccc(C#N)c(Br)c1 1559189959 HBTKTIPBVPSKKW-ZDUSSCGKSA-N 438.163 4.655 30 10 IJEE CCCc1c(NC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)cnn1-c1cccc(C#N)c1 1562643318 DRJJWHVDRZLWLU-LJQANCHMSA-N 444.583 4.947 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccnn1Cc1cccc(Br)c1 1562677101 LFEMSENDTMNFEP-UHFFFAOYSA-N 439.357 4.957 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)cc1 1563369738 XYKRTJBCLBLNRJ-UHFFFAOYSA-N 441.495 4.680 30 10 IJEE C#CCOc1ccccc1NC(=O)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1C 1567743904 QSWZCMXTPANTEC-HXUWFJFHSA-N 437.540 4.752 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2C)c1CC 1568509318 ZFIFTZBUOFQBDA-SFHVURJKSA-N 426.561 4.931 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](OCC(C)C)C1 1587723671 QQVINTWXNVWSIW-IBGZPJMESA-N 430.980 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCN1CCC 1589151284 WMDCQJCUZXDNIM-QSEAXJEQSA-N 449.643 4.901 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1C[C@@](C)(O)CCC(C)C 1589163095 HZWZIKFJRDEEAF-FTJBHMTQSA-N 434.628 4.927 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1589669571 ZTVWPZQXIRKGJF-RUZDIDTESA-N 444.627 4.812 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(Cc1c(F)cccc1F)C1CC1 1593712090 RTZQRPKSZYXCJC-UHFFFAOYSA-N 428.483 4.886 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1594202058 DUQBCBBXIQSHBR-UAPYVXQJSA-N 444.551 4.512 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1594455100 LOSNZHZUAWOEDB-SFHVURJKSA-N 444.023 4.896 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1594608800 XECQMQHSXLVBFC-OALUTQOASA-N 434.588 4.514 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1594697761 GNDPTEKVJFWKFX-QGZVFWFLSA-N 443.020 4.904 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1594698883 ZNVOBZGUHNHIMI-UHFFFAOYSA-N 445.354 4.688 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCCCCC[C@H]21 1594829034 AEQLOQYBSLMALF-GXRSIYKFSA-N 430.637 4.948 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1nc(C)cs1 1594907317 SLSYGTUJOQYKEJ-NSHDSACASA-N 438.420 4.960 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](OC)C(C)(C)C 1594913263 GFCQQSQHZWXPQV-MRXNPFEDSA-N 425.346 4.530 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1595161616 GCXPZNYUSINISY-TZIWHRDSSA-N 440.588 4.813 30 10 IJEE C=CCC[C@@H](C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1)c1ccccc1 1595341293 HDQLLKNMUMXTJO-CQSZACIVSA-N 434.355 4.889 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)cc(Br)c1O 1597674124 HCKVKFKITJKZIH-AWEZNQCLSA-N 427.339 4.651 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)C1 1607448183 DVFVGYNHLGIZIF-GIWBLDEGSA-N 434.632 4.810 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1 1611768962 GZHJDBMQNZQDIR-NBGIEHNGSA-N 432.572 4.685 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1614085120 AJTQJQOGONKQCH-RFEOYDEGSA-N 434.632 4.952 30 10 IJEE COc1cc(C2(C=O)CCN(C(=O)OC(C)(C)C)CC2)ccc1OCc1ccccc1 1614663948 ZIZMIMKYOWNFIK-UHFFFAOYSA-N 425.525 4.742 30 10 IJEE COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCCC(C#N)(c1ccccc1)c1ccccc1 1617900691 FAYRCOBTIVDLSW-NVQXNPDNSA-N 426.560 4.896 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CC[C@H](F)C1 1619899720 GAOVNIZFAUPQBF-SFTDATJTSA-N 427.568 4.530 30 10 IJEE CCCn1ncc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1C1CC1 1624580384 DUZHWDNAEDOZCA-UHFFFAOYSA-N 425.964 4.941 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 1627523080 UBROHCIKJGFLBQ-UHFFFAOYSA-N 431.492 4.834 30 10 IJEE C#CCCNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 1633508904 SMZMRHIMRJJBRT-SANMLTNESA-N 438.527 4.714 30 10 IJEE C[C@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccc(Oc2cccnc2)cc1 1635039864 GRAAZQYIYNBHMK-IBGZPJMESA-N 441.535 4.775 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1C#N 1636100693 GESPXNTZBYKVNV-GOSISDBHSA-N 429.929 4.831 30 10 IJEE C=CC[C@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(=O)OCC 1638326519 SHNCTYSGORUROI-SFHVURJKSA-N 426.563 4.826 30 10 IJEE CCOc1ccc(-n2c(Sc3ccnc(C#N)n3)nnc2-c2ccccc2Cl)cc1 1639216850 HUDGKSZNLKKXMQ-UHFFFAOYSA-N 434.912 4.799 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C(C)(C)C)[nH]n2)nnc1-c1ccc(Cl)cc1 1640731686 TXZPDKMHUSVCAB-UHFFFAOYSA-N 430.965 4.536 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2c2ccccc2)cc1OC 1643979771 NESHBSQGYKRTAB-YPJOJRFLSA-N 449.547 4.626 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCc1nc(-c2cccs2)no1 1653110475 GEPCZPDVGJRWQO-UHFFFAOYSA-N 441.104 4.774 30 10 IJEE C#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)c2cccc(NC(C)=O)c2)cc1 1653395209 DNCAFQHDRMZSNO-IBGZPJMESA-N 432.545 4.578 30 10 IJEE C=CCOc1c(Br)cc(CNCC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1OC 1658573653 FUVUYQUGRNWFPR-CJNGLKHVSA-N 438.284 4.612 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C12CCC2 1661979603 CYEBXUXAVIMLEX-MOPGFXCFSA-N 442.560 4.693 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 1666454381 DTAGNPKMGMCOMD-XMMPIXPASA-N 448.929 4.972 30 10 IJEE CC(C)(CC#N)CS(=O)(=O)NCC1(c2ccc(Br)cc2)CCCCC1 1667520583 CCIDVFWNEZPVKC-UHFFFAOYSA-N 427.408 4.510 30 10 IJEE C=CCCCS(=O)(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1671775978 OUMBXKIUVHIZBB-UHFFFAOYSA-N 441.450 4.545 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)cc2n1 1674576604 NBPFUWWSJFQXEF-LJQANCHMSA-N 439.560 4.666 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CC(Cc4ccc(Br)cc4)C3)cc21 1675098745 MRWHKEXSXDRVOQ-UHFFFAOYSA-N 425.330 4.691 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)cc1 1675409283 KGOPWCPRPNAGOA-CJFMBICVSA-N 431.580 4.685 30 10 IJEE N#CCc1ccnc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)c1 1679667978 AESRTJIACNHJOD-UHFFFAOYSA-N 444.470 4.521 30 10 IJEE Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1681627564 BTPAAJWFXUDRQV-UHFFFAOYSA-N 436.865 4.571 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 1681942359 LGOVPSOHHFXKQX-FPOVZHCZSA-N 434.458 4.856 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 1683288801 DXZUICHKSBIOFF-URXFXBBRSA-N 427.539 4.931 30 10 IJEE C#C[C@H](NC(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(Br)cc1 1683508266 PACPKQKYIQZCJL-BVSLBCMMSA-N 441.369 4.933 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 1683579717 PMUDDUHNQZQIQV-GOSISDBHSA-N 427.570 4.812 30 10 IJEE C#C[C@@H](NC(=O)N1CC(OCc2cccc3ccccc23)C1)c1ccc(Br)cc1 1683680949 JEJLXDPHCJKWNZ-HSZRJFAPSA-N 449.348 4.887 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F 1683771936 FQGAXNLULSIXQA-MRXNPFEDSA-N 440.519 4.625 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)COCC 1689862793 GTEBYNCTTFMRRP-IBGZPJMESA-N 426.605 4.675 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1689879869 JYEOXHGCMXRRPM-HSZRJFAPSA-N 438.616 4.678 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC[C@H](C2CCC2)C1 1689912821 BJTNICKWVQZKMJ-JTHBVZDNSA-N 436.600 4.701 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1689920733 IMIVYWJXWXNZRL-YKSBVNFPSA-N 436.600 4.787 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1690098088 VGESMUZXKWFUNY-NRFANRHFSA-N 442.991 4.566 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCc2c(ccnc2O)C1 1690437467 DYLWZYZBMOFMOI-UHFFFAOYSA-N 447.583 4.740 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCCOC1CCCCC1)C1CC1 1690538209 DNAFDFSZPNOJCG-UHFFFAOYSA-N 448.409 4.930 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2Br)[C@@H]1C 1693709042 CZEWCXZPSACPRH-ZIAGYGMSSA-N 442.386 4.924 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1cccs1 1698344640 GXHITDYOBPGORG-HZPDHXFCSA-N 427.599 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1cccc(OC)c1 1705481527 IJGNJJKQORKPDC-ROUUACIJSA-N 434.609 4.841 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1705521293 WTCDDDUDMJZNEJ-HSZRJFAPSA-N 449.643 4.633 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CN(C)C(C)C)CC1 1705531631 QPBIIORIGGJXCG-UHFFFAOYSA-N 446.599 4.570 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(CCOC)CCCC1 1705611603 JWEJVJTZHAHZKB-UHFFFAOYSA-N 433.556 4.657 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1705681381 UEJRPRAXAOSNRN-DAYGRLMNSA-N 435.341 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](C)C1 1705695605 COZHIWOTFHMFRS-GJPOJAMWSA-N 440.588 4.644 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1705697270 KWBXQHAGSLEBTC-ONJIFJTESA-N 433.600 4.931 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(N(C)C)CCCC1 1705714509 UOGHNVDLNNVXRO-UHFFFAOYSA-N 434.588 4.877 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC2(CCC2)C[C@@H]1CC)c1ccccc1 1705795128 CWMWOSLCGUDGKJ-YADHBBJMSA-N 435.616 4.935 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C=C)CC1)c1ccccc1 1705798083 JTHBVXGPGJNCSB-HJOGWXRNSA-N 436.600 4.764 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1705847905 BDVPWBMHAHBATF-NQIIRXRSSA-N 449.393 4.590 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 1705855672 PITCLSRCTBVHKI-UHFFFAOYSA-N 430.980 4.885 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCCN1CCC(C)CC1 1705865574 MVYIXEHBUOJGNK-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC(C)(C)O 1707040038 FBGCPRIVOWFFEU-KRWDZBQOSA-N 445.995 4.589 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1 1707532179 DYEWXABGOIWVHG-VIZSFHNOSA-N 439.604 4.603 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCSC(C)C 1708508108 BVFUDDNJFNFZCP-LJQANCHMSA-N 426.634 4.522 30 10 IJEE COC1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 1712033086 BJPFSKWXIWVKGZ-BXRCABCMSA-N 439.629 4.742 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1722339598 WTDDJNUKJQWRQN-UHFFFAOYSA-N 437.396 4.892 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOc1ccc(C)cc1 1722379985 SYFWTULNJPDWHK-UHFFFAOYSA-N 444.604 4.736 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCN(C)C1CCCCC1 1722417474 ITJMBMMAFOMLMY-UHFFFAOYSA-N 425.596 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@](C)(O)CCC(C)C 1722467196 OBMGNEALCLIGIP-WVQWTBLQSA-N 442.579 4.737 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC=C(C)CC1 1722493033 VWKYFWAOGYBRCJ-KNKQGSTJSA-N 426.536 4.695 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC=CO1 1722511934 QYYFYORORUEZJA-KRWDZBQOSA-N 447.377 4.811 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@@H]1CCOC1)C1CC1 1722654519 YVDJLPFLOVBWKV-OAHLLOKOSA-N 437.371 4.745 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@](C)(O)c1cccs1 1722657430 AXIRIJILMZWNSV-YKSBVNFPSA-N 438.597 4.682 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)c1cccs1 1722657710 LKTTYRABICIDBL-RUZDIDTESA-N 445.592 4.810 30 10 IJEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N 1723235073 AGGNEXXSUQGORC-IEZWGBDMSA-N 446.393 4.507 30 10 IJEE CC(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCCC2)C1 1723351855 GBWAOHCKBCMXON-ISKFKSNPSA-N 434.632 4.810 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(CCO)Cc1ccccc1 1740582014 JFHPQMCLTKSBMT-IBGZPJMESA-N 434.609 4.544 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCCN1C[C@@H](C)C[C@H](C)C1 1740678072 ZIYXQZFOYHVQEN-FDFHNCONSA-N 439.623 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(OC)C1CC1 1740725510 MVCZCYHDJPTOES-UOKFIYJESA-N 442.991 4.879 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCCCO1 1740785515 KPDHBMIYSLUTTH-INIZCTEOSA-N 425.360 4.745 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740817167 WBXDZRGKTVZYCR-KURKYZTESA-N 438.016 4.674 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(CN2CCCCCC2)CC1 1740883776 FHNROHMEMLBART-UHFFFAOYSA-N 441.620 4.532 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)c1ncc(C)s1 1740904901 BOZFCQCGITXLCZ-OAHLLOKOSA-N 429.615 4.770 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ncn(C)n1 1740922644 NVZIUQIWKIUMQT-UHFFFAOYSA-N 447.612 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1740933460 TVNBQZYYDPIQET-UHFFFAOYSA-N 442.917 4.643 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc(C)o1 1740949633 NPNRKYJIKOEBSS-MSOLQXFVSA-N 427.549 4.779 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1740996338 MGKOIFKSOJZWEI-ULQDDVLXSA-N 436.622 4.807 30 10 IJEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740998679 RYIRGEJRQTWLKI-IBGZPJMESA-N 429.540 4.608 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1Cc1ccccc1Cn1cccn1 1741516468 BYNWISBJUTVCJY-UHFFFAOYSA-N 433.604 4.635 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCCS1 1748656604 UDWJCXMIPOYNLU-UKRRQHHQSA-N 437.382 4.590 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1748730920 RSWMEKQZFKXYEI-OXJNMPFZSA-N 443.389 4.819 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]2CCC[C@@H]21 1749028807 HNOLXFQKKSADGO-LPHOPBHVSA-N 445.430 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1ccsc1 1749053285 FNHRUGAUZSVLOD-MHECFPHRSA-N 436.581 4.919 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC[C@H](F)C1 1749060209 KXGRTRULIRTCRX-VFCRVFHLSA-N 449.343 4.977 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)c2cccs2)CC1 1749119264 PLLPOXGLNIRWOO-JUXOCIIHSA-N 442.629 4.934 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1749126884 HPKJXUCSWRYHJR-OFNKIYASSA-N 440.588 4.571 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2csc(C)n2)CC1 1749348121 KXFMLDYGISLFSI-UHFFFAOYSA-N 437.613 4.884 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC#N)CC1)c1ccccc1 1749384620 DXTJWMIPBQGJME-XMMPIXPASA-N 443.599 4.630 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)c1ncc(C)s1)C1CC1 1749527711 OKSDLUTVOYJKBL-OAHLLOKOSA-N 427.549 4.720 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC=CO1 1749531538 JMEXWJWWIOGEMB-QFIPXVFZSA-N 431.565 4.687 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 1750686845 CTGBPGXWSMBYIW-QUCCMNQESA-N 447.505 4.657 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC1CC(OC(C)(C)C)C1 1760097693 ITJGWXHWSNNSOU-KHKYRLRFSA-N 442.579 4.999 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(C(C)C)CC1 1760104669 CHIWEJAYSIIWBO-HNNXBMFYSA-N 431.378 4.610 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1760132132 HTPHQEGTMQYZBD-UHFFFAOYSA-N 446.580 4.658 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCCC(C)(C)C1 1760228884 VVVBUGSZTWPOFN-IBGZPJMESA-N 439.673 4.713 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCC[C@H]1C 1760244636 BOOFEVFRRSQXNN-QUCCMNQESA-N 426.630 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1760342879 PHFSFXQCCKWMTK-MSOLQXFVSA-N 433.394 4.924 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCc2nc(C)no2)CC1 1760382469 QVQYPCXSIXGALO-MRXNPFEDSA-N 442.951 4.552 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760436847 IENRYQCJHNHSII-NVXWUHKLSA-N 449.393 4.686 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760439845 VPCXRIPSCUKEDN-QHCPKHFHSA-N 439.623 4.923 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCOCC2(CCC2)C1 1760561536 DGZSKFUDWCUVRK-UHFFFAOYSA-N 436.984 4.664 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCO[C@H]2CCCC[C@@H]2C)c1 1762008832 CYTYJVWNOGIPOM-REWPJTCUSA-N 437.588 4.501 30 10 IJEE CC[C@@H](C)c1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1 1763548991 HAWZOCWOVLLUJS-NQIIRXRSSA-N 427.618 4.602 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)C1 1768360353 HRWKCNDOQRSCTL-LGVFNWMJSA-N 439.629 4.742 30 10 IJEE Cc1nnc(N=C2S/C(=C\c3ccccc3[N+](=O)[O-])C(=O)N2C2CCCCC2)s1 1772736147 HLSDQZUBBPXKHJ-LQRSTDMYSA-N 429.527 4.691 30 10 IJEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1859861500 HPJVQOIYPXYFCA-UHFFFAOYSA-N 432.549 4.929 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862432489 FZBGMQYYBLGXOY-IERDGZPVSA-N 436.895 4.579 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862518793 TXCYPWADEJWUMN-YCRPNKLZSA-N 438.480 4.760 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccc(O)c2)cc1 1862531834 CVKRJVXZELTTGI-DEOSSOPVSA-N 445.490 4.915 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2cccc(F)c2)cc1 1862556569 ZWMOTUPSDZXFLF-QHCPKHFHSA-N 430.479 4.537 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862592242 YKDSZFZUPAFVDU-IBGZPJMESA-N 425.893 4.886 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862598206 ZRVHXWKCHHXWCO-XMMPIXPASA-N 443.499 4.960 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862618023 NDAQOZXMLLONEO-JTHBVZDNSA-N 449.547 4.750 30 10 IJEE CN1CCCc2cc([C@H]3C(C(=O)c4cccc5ccccc45)=C(O)C(=O)N3C3CC3)ccc21 1862657955 LBLYUANTVFFLRH-VWLOTQADSA-N 438.527 4.963 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862684261 SMLBSZXLQSUNNH-NYHFZMIOSA-N 441.499 4.998 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1C(=O)O 1862691151 IJNJGFAVFAGQAH-OAQYLSRUSA-N 437.492 4.552 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)c1 1862747375 QACCDTAQWVOAHI-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc4c3CCCC4)C2=O)c1 1862775225 CJEGOGMWOIHRNS-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(Cl)c3)C2=O)c1 1862939442 OCPBWOYJHPQNNE-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(c3ccccc3Cl)C2=O)cc1 1863077083 AKZQOKXGSJXGAT-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863692128 FDKWCBTTXADASR-DKODJIDWSA-N 448.607 4.936 30 10 IJEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3C3CCCC3)sc2c1 1866234338 KDEWDYIOPVGDCN-UHFFFAOYSA-N 441.578 4.671 30 10 IJEE CC(C)(NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866763784 NLEVWQPBSZLYGG-JOCHJYFZSA-N 447.485 4.892 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN(C(C)C)c3ccccc32)n1 1868246474 LQSJVNGLVVXFRK-UHFFFAOYSA-N 428.540 4.647 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C 1868651029 NURGICJIJGJQHT-HXUWFJFHSA-N 443.975 4.722 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)c1ccc(-n2cccc2)cc1 1870112173 RNKCAULQFMTAEY-UHFFFAOYSA-N 437.290 4.548 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2-c2cccc(C)c2)c2ccccc2)cc1 1870142785 VRAZKSCJZPHXTN-KQWNVCNZSA-N 435.487 4.635 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(Cl)cc1Cl 1870147655 ARIXJCRJGYTJOA-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870148151 YAIBSSGXNDEAJP-JOCHJYFZSA-N 432.487 4.585 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1ccc(F)c(Cl)c1 1871022633 VAYFGIRIMJNMCX-UHFFFAOYSA-N 448.922 4.694 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871683454 WMMVBWOSHKOHAI-HDICACEKSA-N 446.590 4.992 30 10 IJEE CC(C)(C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 1872766801 PHKDYXGENPHULG-GOSISDBHSA-N 429.501 4.695 30 10 IJEE C=CCn1c(C(=O)NCCC(C)C)cc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 1873593339 AVTGBWPDXJZBIT-UHFFFAOYSA-N 445.611 4.852 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(N(CCC)CCCC)ncnc21 1873659148 CXVYQXZTOTUDFN-UHFFFAOYSA-N 431.544 4.762 30 10 IJEE N#Cc1cccc(NC(=O)COc2ccc3cc(-c4cc(F)cc(F)c4)c(=O)oc3c2)c1 1873866354 DCLHSXSBHXXPIO-UHFFFAOYSA-N 432.382 4.627 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc(Cl)c1 1874296946 CGUOIDCALHHMIN-WSDLNYQXSA-N 427.917 4.981 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1/N=C/c1ccccc1)Nc1ccc(F)cc1 1874415876 LZOIPPGCROHWCH-WGOQTCKBSA-N 445.523 4.621 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2C(F)(F)F)cc1 1874459073 VPBSYPXFJSYERK-BHGWPJFGSA-N 434.443 4.566 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)cc1OC 1874571999 RCJKQLKGZDYFHV-LLLGYDHXSA-N 445.515 4.856 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1OC(=O)[C@@H]1CCCO1 1875111160 WWACCOAUVHKKIZ-KKSMZRNKSA-N 445.309 4.828 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 1875143073 HVZPLKWGPSAIQV-PKNBQFBNSA-N 431.444 4.956 30 10 IJEE Cc1cc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)ccc1Br 1891059973 IQTAUSFPKDOCSD-UHFFFAOYSA-N 426.232 4.589 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1891373286 YARYLIFFDOYXEE-HSZRJFAPSA-N 431.923 4.809 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCSc3ccc(F)cc3)ccc21 1891670335 QVASSZSNMQKAOZ-UHFFFAOYSA-N 428.529 4.884 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@H]1OCc1ccccc1 1998813020 FADHTGAFCZUQPT-RCZVLFRGSA-N 429.605 4.987 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1(C)C 2005339035 HSSBDMORAMKNAD-QVKFZJNVSA-N 436.557 4.757 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)C1 2009509415 KPBHYGPPUZOYTE-HSZRJFAPSA-N 431.508 4.860 30 10 IJEE O=C(C1=CCOCC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2071355190 HYUHMUSOHDJOBD-HHHXNRCGSA-N 430.500 4.794 30 10 IJEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(/C=N/O)c2I)c(O)c1 2078978992 FGDXLMQACSUABU-WZIKDTQPSA-N 441.313 4.679 30 10 IJEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)c(O)c1 2080048042 MXJQTNAMFWLLDU-QGZVFWFLSA-N 434.334 4.609 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(Cl)c1C 2082806149 IJIKKUPPFHMBDY-AWEZNQCLSA-N 429.742 4.656 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1Nc1ccc(C#N)c(Br)c1F 2105973906 FAAPLYYIIVKUKB-PBKGOJFUSA-N 426.330 4.763 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2106591232 NMRWQRVUIZIPBQ-UHFFFAOYSA-N 446.441 4.501 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNc1cc(Br)cc(F)c1C#N)CC(F)(F)F 2117334669 GAGNJPMEYKPREY-JTQLQIEISA-N 440.235 4.717 30 10 IJEE C[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cc(Br)cs1 2124453690 KOKPHSMFPZKJAY-GXTWGEPZSA-N 444.395 4.665 30 10 IJEE CCCCCC#CC[C@H](NN)c1ccc(Br)cc1I 2142288222 JHNHMFQOYCGZAL-HNNXBMFYSA-N 435.147 4.532 30 10 IJEE CC(C)(C)OC(=O)NCCOc1ccc(Nc2cccc(Br)c2C#N)cc1 2162420068 QAZPZJRFIWAGPE-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE CC(C)(C)OC(=O)NCC1CC2(C1)CC(Nc1cc(Br)cc(F)c1C#N)C2 2164518102 BFROPFIUPFFZKO-UHFFFAOYSA-N 438.341 4.955 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1(C)C 2180919570 CXFKPJWKKXYVGG-IXDOHACOSA-N 443.426 4.875 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](Nc1cc(Br)c(C#N)cc1F)C2 2234573294 QRPRENXYVCHISL-GDZNZVCISA-N 438.341 4.907 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@]1(C)NC(=O)OC(C)(C)C 2235725295 JEWQHQUMFAAIIQ-LRXVAGHRSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 2235745641 DQGSWASQMHRQBL-MJGOQNOKSA-N 435.406 4.816 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1 2266741861 BRWPNPKGVLLNLO-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)cc2C1 2267186295 HSWLNNJKZPGAQK-UHFFFAOYSA-N 442.365 4.545 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 2296215632 BYXVWQLCROSUPR-LSTHTHJFSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[C@@]2(N)C#Cc2ccc(Br)cc2)C1 2296220280 WLSMOLOXTXNBNS-LRXVAGHRSA-N 433.390 4.555 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296278180 AYDFIHKINUWGNR-NBYUQASBSA-N 433.390 4.696 30 10 IJEE C[C@H](C[C@H](N)C#Cc1cccc(Br)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2296282093 SFOIGMBMNFMGPB-IMFGXOCKSA-N 435.406 4.801 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCC1CN(C(=O)OC(C)(C)C)C1 2296294493 UZMQGLBVOSYHTD-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2296306783 LTKLZTOABPLQHY-GHTZIAJQSA-N 439.369 4.518 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 2296307189 QWLLJGGZDLBRBU-QRVBRYPASA-N 435.406 4.718 30 10 IJEE COc1cccc(C=C2SC(=Nc3nnc(C)s3)N(C3CCCCC3)C2=O)c1OC 2314547198 DVUXLULZIYKOLV-UHFFFAOYSA-N 444.582 4.800 30 10 IJEE CC[C@H](Oc1cccc(C=C2SC(=Nc3ccc(C)cc3O)N(CC)C2=O)c1)C(=O)O 2314927262 CFCOUKDOPOBQGN-IBGZPJMESA-N 440.521 4.567 30 10 IJEE CC[C@@H](CNC(=O)OC(C)(C)C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317336389 VFMYBGWTVVQHFP-UJGDBWEASA-N 432.370 4.656 30 10 IJEE Cc1ccc(CSc2nncn2N=Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)cc1 2321813878 VTQMUGGNHXAVRA-UHFFFAOYSA-N 425.901 4.594 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(C)cc3)CO4)C2=O)cc1 2321958528 CTMCYRCWOAUWBI-UHFFFAOYSA-N 441.483 4.750 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccccc2Cl)cc1 2322234835 HWVBMHQKMOFYBH-UHFFFAOYSA-N 430.961 4.903 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1C=CC(=O)c1cccc(OC)c1 2322371443 RJZSTGASMXPTML-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2325649387 ZUHZLQVUPQXXAB-UHFFFAOYSA-N 425.514 4.930 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC)c(OC(=O)C(F)(F)F)c2)c1 2325757920 PVRLDYMILXRSHB-UHFFFAOYSA-N 438.398 4.856 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)c(OC)c1 2325761946 YXRXKZYCDCVOPQ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OC)c1 2328075464 OWLFLIQIQZKUNX-UHFFFAOYSA-N 430.961 4.815 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)c2c(F)cccc2Cl)cc1 2328106510 JJKXVBHCRFROAZ-WIYYLYMNSA-N 428.935 4.593 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cc(Cl)ccc1O 2328484389 LSUFSYRLLIZQHA-UHFFFAOYSA-N 443.916 4.687 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(C(F)(F)F)cc1 2328499549 RJRBVNDXPTWJOI-UHFFFAOYSA-N 447.442 4.956 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc[nH]1 2328673046 QMTMQTAVPJEAEP-UHFFFAOYSA-N 435.528 4.714 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1C 2330863182 SVCZMNPYXOIORE-NRFANRHFSA-N 445.309 4.747 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc(C)cc2)cc1 2330911644 VNUWYGUGPOLKKE-NRFANRHFSA-N 449.580 4.613 30 10 IJEE Oc1nc(CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)nc2ccccc12 2331222353 JLJHDIPZIGWSLN-UHFFFAOYSA-N 446.467 4.501 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2F)nnc1C(C)(C)C 2331362496 QUAHSFLEAUSZFV-UHFFFAOYSA-N 425.533 4.636 30 10 IJEE CCOc1cc(C=Nn2c(SCc3ccccc3F)nnc2C(C)(C)C)ccc1O 2331397627 RYWIFBOFWGPJKN-UHFFFAOYSA-N 428.533 4.994 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2F)c1 2331493341 ZRZXLVJAIGHLNS-UHFFFAOYSA-N 441.507 4.745 30 10 IJEE CCOc1ccc(C=Nn2c(COC)nnc2SCc2ccccc2C)cc1OCC 2331553038 KAHYOKWNARWKHT-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE C[C@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2339575834 ZYSCUJHIOQISQM-YFOSEYIMSA-N 444.381 4.893 30 10 IJEE CN(CC1(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1)C(=O)OC(C)(C)C 2339601086 WFUODMMUFSQCLU-UHFFFAOYSA-N 444.381 4.895 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360196468 RHKAUJBDQOHBKA-BTHPGYMESA-N 433.390 4.567 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](C)CC1 2362552502 VEWMXKQDZZXKLZ-BPXKWBHBSA-N 435.406 4.862 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CCc1ccc(OC)cc1Br)NC 2364849157 OIEMWULAHIOCOK-RTBURBONSA-N 441.410 4.838 30 10 IJEE Cc1cc(CNCc2csc(C)c2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681694 RXTGDDHQWCNJBP-UHFFFAOYSA-N 436.224 4.716 30 10 IJEE Cc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 3041859 TVBGABHMZLKFQZ-QLYXXIJNSA-N 434.952 4.886 30 10 IJEE CCCCSc1nc2n(n1)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 9856518 HRRYNAXRTYSGAG-QGZVFWFLSA-N 433.375 4.955 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1 20190956 FEOSZYAWFHKYNS-SRZZPIQSSA-N 446.989 4.747 30 10 IJEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)c(OC)c1 21219436 VDTPUHZDKAMFFR-GCJKJVERSA-N 449.547 4.743 30 10 IJEE N#CCCN(CCC#N)C(=O)CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 23291908 BQAWMKCZXVEBMA-UHFFFAOYSA-N 449.967 4.941 30 10 IJEE COc1cccc2c(C)cc(S[C@@H](C)C(=O)Nc3c(C#N)cnn3-c3ccccc3)nc12 32529714 KLSSMHOEGZOHTE-INIZCTEOSA-N 443.532 4.729 30 10 IJEE CCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1c(C)cc(C)cc1-2 32997667 UWLMJJPMYJZTPB-QFIPXVFZSA-N 431.521 4.583 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 36345895 CIFUIMNLGPTZSC-DEOSSOPVSA-N 447.579 4.809 30 10 IJEE CCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(OC)c(OC)c(OC)c1 50861934 PLURPRJKJQLPIQ-UHFFFAOYSA-N 425.529 4.752 30 10 IJEE N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)c(F)c1 64747165 WSNXDZLCGYORIK-QGZVFWFLSA-N 430.361 4.743 30 10 IJEE C=CCOc1ccccc1NC(=O)CNc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 66109101 WHDALLLYQGJVAR-IBGZPJMESA-N 429.520 4.793 30 10 IJEE CSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)s1 102616969 WOILIWUZMYATCG-RIBQPWQFSA-N 443.937 4.540 30 10 IJEE CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 102909733 ZPAVAXIBKZURSV-VFJWVMJUSA-N 432.451 4.634 30 10 IJEE O=[N+]([O-])c1ccc(NCC/N=C\c2cc(Cl)cc(Br)c2O)c(Cl)c1 105481953 FGUGXSWNDSBUAE-UWVJOHFNSA-N 433.089 4.901 30 10 IJEE CCN1C(=S)N[C@@H](c2cccc(OC)c2OCc2cccc(C)c2)C2=C1CCCC2=O 169933074 JWHPSDBCHLDKQU-QHCPKHFHSA-N 436.577 4.841 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccc(O)cc2)c1 169965330 PUUBJQYAJAUFAI-QFIPXVFZSA-N 439.471 4.668 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2)cc1 170054321 LNJZBYVRUKUMGL-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 170060841 CBUFLOSSMUSXBJ-NRFANRHFSA-N 439.389 4.895 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(F)cc2)s1 170064505 SKNUPVRDJXRDHR-GOSISDBHSA-N 444.434 4.960 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2F)c1 170072007 XUVVPNNIOQQHAT-JOCHJYFZSA-N 425.500 4.836 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(O)cc2)cc1 170132435 YLUKJHJAHPMSKC-QHCPKHFHSA-N 445.471 4.668 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1ccc(OC(C)C)cc1 170152509 DHJRXFSJCCTOMZ-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccs2)s1 170167137 JSMGVBGMKUXBHE-KRWDZBQOSA-N 428.510 4.739 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1 170173582 IYXFHWOLBMAKGN-NRFANRHFSA-N 434.879 4.917 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(OCC)c1 170218192 MPKPMVNCLNUDTD-OAQYLSRUSA-N 435.476 4.828 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1OC 170249353 TXMWATCVPKHMRZ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1Cc1cccnc1 170317024 SAICOYUKAHHAKJ-YCRPNKLZSA-N 446.528 4.553 30 10 IJEE O=[N+]([O-])c1cccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 254410742 YHZNZQVOZOVOAI-UHFFFAOYSA-N 426.440 4.713 30 10 IJEE C#CCN(C[C@@H](Cc1ccc(Br)cc1Cl)NCCC)C(=O)OC(C)(C)C 406301020 YUZGEWSWKQRUDK-QGZVFWFLSA-N 443.813 4.884 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(Br)cnn1CCC 406922734 JTQHKGHCFZQUJF-HZPDHXFCSA-N 429.403 4.566 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccc(Cl)cc2Br)CC1 446321925 CCBWNXTWKWLHKZ-UHFFFAOYSA-N 449.736 4.881 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(C)nc(-c2cccnc2)n1 481834239 AVUHBEYITSCCBD-UHFFFAOYSA-N 430.537 4.663 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1oc3ccccc3c1CSc1ncccn1)CCCC2 484155166 DFVBDAPQBWVCRS-UHFFFAOYSA-N 441.516 4.913 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)o2)cc1 505938605 OGGKFGHLOSNLHS-GOSISDBHSA-N 430.291 4.971 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 508476401 CZAHZQMTBFUJNZ-IAGOWNOFSA-N 427.549 4.892 30 10 IJEE COc1cc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc(OC)c1OC 526820594 VORFMVGKWIDOHP-MXAYSNPKSA-N 434.521 4.632 30 10 IJEE CCOc1ccc(N(CC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 586244523 ZBENDOPAUASPBP-UHFFFAOYSA-N 429.325 4.510 30 10 IJEE C=CCNC(=O)Nc1cccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c1 586637682 VTXJTPBJCVRQSN-CQSZACIVSA-N 441.553 4.609 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 606720963 HVRSCGOGXQYQEU-UHFFFAOYSA-N 431.989 4.652 30 10 IJEE N#CCc1cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cs1 687754457 DLTYIHUGGIIRPH-JOCHJYFZSA-N 432.501 4.869 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 717984282 ZNMDZRKSHJKYSU-FGZHOGPDSA-N 428.370 4.935 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)[C@H]1CCOc2ccc(Br)cc21 733112782 RVSUYFIXWDLDAG-SBHAEUEKSA-N 440.337 4.547 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1F 733196824 JEUDXQBPRGHHFX-LJQANCHMSA-N 443.931 4.771 30 10 IJEE C[C@@H](OC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787552170 WTQUAZAPKNQWHM-CTFRJJSNSA-N 426.875 4.514 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)CCCN1C(=O)OC(C)(C)C 790758086 AUSLCEQZBRKGGE-XMMPIXPASA-N 438.528 4.862 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1=S 797414380 AAXXWFBRMUBHHJ-JLHGSKIFSA-N 449.020 4.536 30 10 IJEE O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1nccc(C(F)F)n1 805322781 HDSIHPHOUDVLRO-UPHRSURJSA-N 425.279 4.781 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccc(OC)cc1 1115832958 GKVHWCSDADXAKW-OAQYLSRUSA-N 433.533 4.829 30 10 IJEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)C2)cc1 1125523461 HTODVDNRYMDYGI-OAQYLSRUSA-N 440.503 4.545 30 10 IJEE COc1ccc(Oc2ccc(CCNC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)cc1 1127304905 DFANAHOLXAKCBF-UHFFFAOYSA-N 439.471 4.987 30 10 IJEE C[C@@]1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN(Cc2ccccc2)C1 1128498348 BQKYWUFTSXWJEW-NDEPHWFRSA-N 439.559 4.779 30 10 IJEE C#C[C@@H](NC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)c1ccc(Br)cc1 1129611131 VOCGJPBOFZIHAJ-QAAVPBIRSA-N 430.298 4.501 30 10 IJEE C=C1CCC(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2OC)CC1 1135499594 LYMDBJOFCPXKCA-UHFFFAOYSA-N 444.553 4.580 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(NC(=O)c2sccc2C)cc1 1136711999 NLNONEDWBOOCHK-GOSISDBHSA-N 442.537 4.521 30 10 IJEE C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)CN1C(=O)OC(C)(C)C 1137901189 HTYSZCATYRCAFY-RTBURBONSA-N 449.551 4.607 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 1139804357 DQMAGALSRKAZDR-UIOOFZCWSA-N 427.523 4.702 30 10 IJEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)cc1 1157327587 RWILFCYMOSFHLO-WUMKDDEVSA-N 432.564 4.652 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1c[nH]c2ccc(F)cc12 1165888648 FHAULWIFOCUETM-UHFFFAOYSA-N 436.512 4.947 30 10 IJEE CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C12CCCCC2 1167538298 BDJSCZSBPIKXMC-LEWJYISDSA-N 429.630 4.887 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3c4ccccc4CCN3C(=O)OC(C)(C)C)cc21 1179488445 DLYSLBJSCXAFMN-QFIPXVFZSA-N 432.524 4.695 30 10 IJEE N#Cc1cccc(S(=O)(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c1 1188062533 GSTAJOHPCOJKDJ-FQEVSTJZSA-N 445.313 4.528 30 10 IJEE C=CC[C@H](Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(OCC)cc1)C(=O)OC 1188169316 HWEBXHJBBMYQMB-FQEVSTJZSA-N 439.537 4.551 30 10 IJEE CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)C1 1204212052 GJAZLJIFYVJGSW-CQSZACIVSA-N 428.392 4.857 30 10 IJEE C=C(C)CS(=O)(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1209673597 NMTCPDAADBKYFW-LJQANCHMSA-N 438.387 4.975 30 10 IJEE C#CCOc1ccc(CNC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)cc1 1221493598 LDTMDKMBDDJTNC-JOCHJYFZSA-N 447.501 4.600 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1234502074 DDELKBWFGPBVJN-OAQYLSRUSA-N 433.552 4.760 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2cc[nH]c2c1)NC(=O)OC(C)(C)C 1275698943 LTZQBRFMYFBPBP-ISKFKSNPSA-N 447.579 4.907 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCc2sccc2C1 1286316717 FTYCERVLUPYCCK-UHFFFAOYSA-N 436.581 4.780 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccc2c(n1)CCCC2 1286379851 DOKFTSDMIOIBPL-UHFFFAOYSA-N 438.000 4.615 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286452715 KIAVQLINLCQILM-SJORKVTESA-N 436.478 4.619 30 10 IJEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(C)(C)C(C)C)CC1 1286472655 ANTIQQSFPXZTQI-UHFFFAOYSA-N 439.673 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc(C)c(C)s1 1286523984 GAUYEEAZGXUOAB-JOCHJYFZSA-N 425.989 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](OCC(C)C)C1 1286551882 JNNPCEGDUARKEH-HJNYFJLDSA-N 445.007 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC1(C)C 1286552686 NMDDAYQVAGZRKB-LQWHRVPQSA-N 428.552 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Cl)s1 1286560781 IWFIIUCSTJHJND-UZLBHIALSA-N 444.004 4.981 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(CCOC)Cc1ccco1 1286588103 YXXCXGVDXVSBBH-UHFFFAOYSA-N 437.363 4.591 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1286608908 VIZYWMHKJIBACT-AVRDEDQJSA-N 430.543 4.899 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCSCc2ccc(C)cc2)CC1 1286662290 DQKOVRYFSUUPMF-UHFFFAOYSA-N 433.625 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286669833 VCCPTRJFQPBPGG-UHFFFAOYSA-N 434.588 4.637 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286674834 WKEITJVBLISGDB-HXUWFJFHSA-N 445.652 4.964 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1286693197 VSXLTCDHNLXEHK-IEBWSBKVSA-N 426.561 4.706 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccnc(OCC(F)(F)F)c1 1286714220 MBLWEBQURGHJIP-LJQANCHMSA-N 445.489 4.827 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1286772576 IQIVJXFDJHGZQW-UHFFFAOYSA-N 431.968 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC(C)CC1 1300273732 HAGKRMLZBUDPDP-SLFFLAALSA-N 444.023 4.650 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCN(C(C)C)C(C)C 1300285999 DCZNIZYKWXLVKV-SFHVURJKSA-N 432.012 4.574 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1300347507 APYFAGLYPCJOBY-APWZRJJASA-N 443.389 4.899 30 10 IJEE C#CCCCCn1c(N2CCC[C@@H]2c2ccccc2C)nnc1[C@@]1(OC(C)C)CCOC1 1300376019 DUSRQNAXFPPVNK-ZEQKJWHPSA-N 436.600 4.772 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1300384607 SUAORFHZQOKTIQ-IOMROCGXSA-N 428.964 4.633 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1300450836 XUGLWZQZKCSSQE-UTKZUKDTSA-N 440.016 4.813 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CC1(SC)CCOCC1 1300649227 STGDSVPSECGDRA-UHFFFAOYSA-N 442.604 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(C)C)C1 1300870266 RSQKVOGXPWKBCH-YCAMKHIRSA-N 438.616 4.662 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(C)(C)OC(C)(C)C1 1300972495 MJQBAVNTZBZAFG-UHFFFAOYSA-N 449.599 4.788 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1301222433 XFFGSJUDTRJWHE-JRFVFWCSSA-N 437.632 4.628 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1Cc1cnn(CC(C)C)c1C 1301340287 XXJNMEGQRSYYGY-UHFFFAOYSA-N 443.599 4.819 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C)CCC1 1301342105 YPNWGHKIJQSVIE-AREMUKBSSA-N 449.599 4.573 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1301566013 IXJQWBUAFKBSQL-RBUKOAKNSA-N 436.572 4.927 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CC[C@@H](F)C2)cc1C 1304407960 CBTLIFHUKWVMCH-LEWJYISDSA-N 425.552 4.742 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)OC 1305700723 BEPIKHZJHLTYAI-AVRDEDQJSA-N 439.604 4.662 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CC)c1cccc(OC)c1OC)c1ccc(Br)cc1 1312936162 GLSNEIUXVWCKKP-QZTJIDSGSA-N 431.330 4.591 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(Oc2ccccc2)c(F)c1 1355211977 BIYLVKARWWWWBM-FXAWDEMLSA-N 443.478 4.720 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N[C@H](C)C=C)ccc1Cl 1356156796 PYXZTRPOMMUECS-CQSZACIVSA-N 439.364 4.679 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CC1(CC(=O)OC)CCCC1 1358207834 HFUVUBIEVLKNPJ-UHFFFAOYSA-N 426.326 4.616 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCC(F)(F)C1 1358881230 AZBAYIZNFMXSDY-IRXDYDNUSA-N 432.515 4.636 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1358898533 VVEKTIDZUNHFLT-HFMPRLQTSA-N 438.616 4.773 30 10 IJEE C#CCCCCn1c(N2CC[C@H](c3ccccc3)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1358917625 WCSOTTGNYJBCMX-KJOQGJGQSA-N 436.600 4.505 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(CCOC)CCCCC1 1358973068 DOUOXMQHJGMYAX-UHFFFAOYSA-N 442.966 4.797 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1359071785 CUIMBFSVJUAKRY-GCCWUPBUSA-N 433.644 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)c1ccccc1F 1359107256 HQEWAVYHZYVSJY-RUZDIDTESA-N 444.595 4.838 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1359156541 JHDSSALEIFPGLM-INIZCTEOSA-N 427.401 4.838 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2=CCCCC2)CC1 1359158537 WITJHGSSGULMAR-UHFFFAOYSA-N 439.991 4.908 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2nnc(C)s2)CC1 1359168033 FMUJECPXVJSJHC-UHFFFAOYSA-N 438.601 4.519 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCO[C@H](C#N)C1 1359185650 DSAIZLMHWIMRCF-JOCHJYFZSA-N 437.588 4.701 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1C[C@@H]1CSCCS1 1359254759 CAJCCBHAASDIPM-OAQYLSRUSA-N 444.670 4.986 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1Cc1nc(C)c(C)s1 1359254809 DJPQFGBJBXUIBJ-UHFFFAOYSA-N 425.602 4.799 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C 1359264908 SHSNBTCNKUNSPF-PCCBWWKXSA-N 443.661 4.875 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C)s1 1359267509 IWXLYLKPXYZOIQ-UHFFFAOYSA-N 432.391 4.643 30 10 IJEE C#Cc1cccc(N(C)C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 1359979106 VGOYOENLVQEWDH-UHFFFAOYSA-N 448.935 4.917 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 1435670157 FJEROPRPRBLWEI-DLBZAZTESA-N 441.716 4.902 30 10 IJEE C=CC[C@H](CC)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1436066699 ZVEISNFBIOMBHQ-IBGZPJMESA-N 436.581 4.814 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)C1 1452998684 LBEODYOYDLMNKZ-QGZVFWFLSA-N 432.973 4.878 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)cc1OC 1453281590 BKLVNIHOVSEERS-QYQIINSRSA-N 449.547 4.741 30 10 IJEE C#CCOc1ccc(C(=O)Nc2cc(C)c(F)cc2C(=O)N[C@H](C)c2ccccc2)cc1 1460578797 DCGREEKUAJZPMP-GOSISDBHSA-N 430.479 4.889 30 10 IJEE C=CCCCS(=O)(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1463136867 LTAXBUMCUCYXKW-ZDUSSCGKSA-N 429.405 4.828 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccccc1 1463275567 OUHCFOLZOVYNHC-GDLZYMKVSA-N 432.973 4.856 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 1465068397 PBFHJOOGULRFHG-SFHVURJKSA-N 429.446 4.903 30 10 IJEE CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](O)C(F)(F)F 1465763056 HYHWDKHIVNMANE-ROUUACIJSA-N 425.382 4.559 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 1468866234 BOLXWOBCRUHQFY-CQSZACIVSA-N 439.350 4.600 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1470011743 VMXPRFKTVASRLD-KOSHJBKYSA-N 448.007 4.628 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 1473141389 QDTNDJIROGAOOM-KRWDZBQOSA-N 444.348 4.912 30 10 IJEE N#Cc1cc(NC(=O)N2CCOCC(F)(F)C2)ccc1Oc1ccc(C(F)(F)F)cc1 1476217315 HMFJSHXVEKTWNX-UHFFFAOYSA-N 441.356 4.869 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 1476729216 RLNZYGMUULUMQQ-OXJNMPFZSA-N 444.373 4.656 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)c1ccc(F)c(F)c1 1478322833 OBRUIJCBDMJQFI-XMMPIXPASA-N 443.538 4.599 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1494973715 CUJWAKCQFJGNCU-SBUREZEXSA-N 433.556 4.948 30 10 IJEE CCC(CC)(Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1)OC 1496507461 DDDWPCIDJPGWGA-CVDCTZTESA-N 443.567 4.682 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1507575323 FLYUGAILOXMDSK-HOTGVXAUSA-N 433.781 4.867 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1507577822 TXLQIYPUNJGOTN-UHFFFAOYSA-N 447.627 4.540 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1507697904 NXJWKSDHNWWIBY-KNQAVFIVSA-N 429.008 4.823 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1507720319 JISUZYLVLZMDDX-GMAHTHKFSA-N 433.644 4.824 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1507769624 DNLVBMWIUAZWHN-WNOPAQSVSA-N 426.992 4.576 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)c1cccc(C)c1 1507837083 IHPDZTZNSZWOFJ-UHFFFAOYSA-N 430.350 4.705 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H]1CCOC1 1507857993 ZEULGASNLLLYFH-IBGZPJMESA-N 425.964 4.578 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2csc([C@H](C)OC)n2)CC1 1507903714 FMSVJMCQENOMNA-HNNXBMFYSA-N 429.615 4.545 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1507916001 IMQBAEPPDWBATK-YADHBBJMSA-N 446.636 4.677 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccccc1F 1507954690 XXMFYKUWAHRRGI-WIYYLYMNSA-N 430.568 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1507974622 INKHILZXQBCNLW-APWZRJJASA-N 437.407 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC[C@H](C)C1 1507982667 PLXYMECDFRDVEJ-FQEVSTJZSA-N 434.588 4.734 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(SC)CCN(C)CC1)C1CC1 1507988470 NCGIHFHSHGLPNO-UHFFFAOYSA-N 432.037 4.581 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)C1CCCCC1 1508022333 VXPSMBJVVOSXDH-AREMUKBSSA-N 433.600 4.791 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@](C)(O)c1ccsc1 1508930184 BJHNRQDRQDDANR-DEOSSOPVSA-N 433.581 4.536 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)CC#N 1509096021 DNEYDMARTWAZOO-LEDOBFOHSA-N 448.571 4.790 30 10 IJEE CCC[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1)OC 1514322601 AJSTUJXUSVQYBD-CTNGQTDRSA-N 425.577 4.590 30 10 IJEE COCCN(CCC#N)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1[C@H]1C[C@@H]1C 1519161013 DOMZNIVWUOWHHS-FNHZYXHNSA-N 431.968 4.636 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 1521760843 DOQVWFKIJHQPGA-WXFJXSOESA-N 444.572 4.569 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)CSc2ccccc2)c(C(=O)OCC)c1C 1524507710 BQNYBFZZBOCOEY-AWEZNQCLSA-N 447.578 4.943 30 10 IJEE C#C[C@@H](NC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1525070208 OMWSSGBXMQMKCZ-MRXNPFEDSA-N 428.769 4.781 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)cc1 1525853115 YDEWTVXZKWZYKO-APPDUMDISA-N 427.762 4.844 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccnc(OC3CCCCC3)c2)CCCN1C(=O)OC(C)(C)C 1527396198 QJRWKMPUBJCBMU-VWLOTQADSA-N 443.588 4.755 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1527974530 GFEHTGHTTIBZBX-OAQYLSRUSA-N 437.565 4.850 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Cc1ccc2c(c1)OC(F)(F)O2 1528416051 TZTRMFMGXYQMLD-UHFFFAOYSA-N 426.213 4.517 30 10 IJEE C#CC[C@@]1(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1530926341 CDAPYQGKRSASEZ-AMGIVPHBSA-N 430.548 4.958 30 10 IJEE C#CCN(C(=O)c1nccc2ccsc12)[C@@H]1CCOc2ccc(Br)cc21 1531553686 NYBOEEYMMQUXSR-MRXNPFEDSA-N 427.323 4.658 30 10 IJEE C=CCOc1cccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCc3c(OC)cccc32)c1 1534959972 NVDHKIVGMIWHHE-RUZDIDTESA-N 438.524 4.565 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(F)cc1F 1535439309 HTJMMKYWQXRWIT-LBPRGKRZSA-N 438.261 4.634 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCC(=O)N(c4cccc(F)c4)C3)cc2)cc1 1535625744 DTFDWPFWOWUGGK-GOSISDBHSA-N 429.451 4.871 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1537258237 PINUKMLQYVYHGD-ZDFPQIBNSA-N 434.621 4.680 30 10 IJEE C=CCSCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1538196496 XIZUAMIPNRRMPS-UHFFFAOYSA-N 446.551 4.935 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1538532143 WMBXBDDYQWQGRJ-IBGZPJMESA-N 437.359 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(CC)C(C)C 1538977474 WLLPLXZBTAVHFZ-FQEVSTJZSA-N 432.616 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)N1CCC(C)CC1 1538983430 RTYCRZJGOCBLNJ-SLFFLAALSA-N 439.673 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCc1ccc(Br)s1 1539011326 DHAIXLBKSJPNCX-MRXNPFEDSA-N 443.414 4.702 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](CCC)C1 1539615473 JAMSAPFGERDSIK-YCAMKHIRSA-N 438.616 4.807 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCN(C(C)C)CC1 1539711889 FQDXTSJQXAJZKA-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539846112 JOOVCLCGFNBIFV-FQEVSTJZSA-N 439.604 4.589 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCc2ccccc21 1539946736 DDRWDBSNLIOOQJ-JOCHJYFZSA-N 435.616 4.817 30 10 IJEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCSC2(CCOCC2)C1 1539971471 HWCVRTHTTDQGQV-UHFFFAOYSA-N 426.630 4.522 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1540148242 SIGKRMIKXWAUMS-LEEZEASISA-N 443.661 4.894 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC[C@@H]1C 1540155696 ZZBFUPAVZSGPAQ-GBESFXJTSA-N 430.980 4.923 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(C)C)C1 1540911984 IIQHKJBGBHDPTQ-GOSISDBHSA-N 430.618 4.754 30 10 IJEE C[C@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1541875892 HTAPUACPBCJVPH-LJQANCHMSA-N 434.613 4.637 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 1545207607 HJNYWNGBIXPTNG-HYBUGGRVSA-N 432.992 4.919 30 10 IJEE CC[C@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(CCOC)CCC1 1546626909 DLEVIYGOWCPABY-FPOVZHCZSA-N 437.588 4.560 30 10 IJEE C=CCn1c(SCC(=O)NCC(=O)CC2CCCCC2)nnc1-c1ccc(Cl)cc1 1558076294 FSNGPWCJJQATFK-UHFFFAOYSA-N 447.004 4.532 30 10 IJEE N#Cc1cccc(-c2nc(NC(=O)Cc3cccc(OCc4ccc(Cl)cc4)c3)n[nH]2)c1 1559044823 AWVJKBBKKCQWNC-UHFFFAOYSA-N 443.894 4.757 30 10 IJEE C=CCOc1ccc(CN(Cc2nc(N)nc(Nc3ccccc3OC)n2)C(C)(C)C)cc1 1559638322 WFYATWCMNJJRHU-UHFFFAOYSA-N 448.571 4.572 30 10 IJEE C=CC[C@H](Cc1ccccc1)NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 1560502241 DUHZZDKVQJVZCS-OAQYLSRUSA-N 425.573 4.614 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1561401940 FPWPJOCPYRYPPW-HNNXBMFYSA-N 433.473 4.539 30 10 IJEE COCCN1CCC(NC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CC1 1562953200 GSQJEUAVGOWJQU-UHFFFAOYSA-N 444.988 4.595 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1 1563596695 NARVPLUVSVVTRT-QGZVFWFLSA-N 441.247 4.564 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 1564997618 LZWPJJLHXBXOGT-HSZRJFAPSA-N 442.494 4.912 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1565846618 CBBNIJLZWLPEOR-OXQOHEQNSA-N 439.581 4.939 30 10 IJEE CC(C)N(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCN(Cc2ccccc2)C1 1584564658 AJAOUBHGAFCMOG-QHCPKHFHSA-N 443.547 4.855 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1ccc(Cl)cc1F 1584727162 DDKLXSMSBXBYNS-KRWDZBQOSA-N 438.915 4.902 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 1586260032 BNOPRPPWRWJFNY-HZCBDIJESA-N 449.551 4.703 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H](SC)C(C)(C)C 1588558963 BYPGUDCKTBURII-WOJBJXKFSA-N 430.593 4.686 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1ccoc1 1589494689 NNDDLGYWSSLFKX-AZUAARDMSA-N 444.482 4.757 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](CCC)C1 1593712108 SEWWIRMLWAHYAC-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1594237002 LNZFOBPLTWTEKQ-DEOSSOPVSA-N 437.632 4.812 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1594651405 KQNPMQVFQWZDEX-OAQYLSRUSA-N 440.979 4.942 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccco1 1594793772 RJLULJCTJQFUJX-QGZVFWFLSA-N 426.586 4.954 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1595058119 BDQXFXXQMPAOEP-HKUYNNGSSA-N 431.625 4.667 30 10 IJEE C=CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccco1 1595266366 DOYKTVVOIXSZHC-UHFFFAOYSA-N 435.553 4.657 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C#N)cc1)c1cccnc1 1598271258 DQQAPPATQMCLHX-QFIPXVFZSA-N 425.540 4.616 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 1611454007 XKCVNYLLVRLXFI-FQEVSTJZSA-N 448.991 4.929 30 10 IJEE C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1)Sc1ccccc1 1611562684 DOXVPVDGGOKTDR-XQFWAAQXSA-N 425.602 4.831 30 10 IJEE COc1cc(/C=N/N=C2/S/C(=C/c3ccccc3C)C(=O)N2Cc2ccco2)ccc1O 1615300688 AESUKNNXBZTMBM-WYBIZYRISA-N 447.516 4.809 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 1615595742 JZVZWXXBMSUYRG-SFHVURJKSA-N 446.576 4.749 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)C1 1617488832 AZZSQXRAISZAAX-FPOVZHCZSA-N 425.602 4.639 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCC2)CCC1 1620227219 HVZMQIYGDCATHC-UHFFFAOYSA-N 425.602 4.641 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)ccc1C(F)(F)F 1622078909 CBLMJZUIBZPFPW-BLLLJJGKSA-N 435.254 4.718 30 10 IJEE C=CCNc1ncc(C(=O)N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)s1 1624568828 NSVZTMDZWBMIJB-UHFFFAOYSA-N 442.585 4.567 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](CF)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 1624709737 SQHFUXSAJHVMOB-GOSISDBHSA-N 448.926 4.843 30 10 IJEE C=CCN(C(=O)c1cccc(Nc2nccs2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1625224507 NSVJTHKXVSIFRZ-NRFANRHFSA-N 435.549 4.689 30 10 IJEE CN(CCC(=O)Nc1ccc(F)c(C#N)c1)C(=O)OCC1c2ccccc2-c2ccccc21 1627830109 CPPIIINMPIKRAT-UHFFFAOYSA-N 443.478 4.907 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)c1ccccc1 1629366784 JBTRYYNUUQUDRP-XZOQPEGZSA-N 426.582 4.559 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCF 1631468586 ZVILBDLADRXXRQ-OAQYLSRUSA-N 430.907 4.512 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1633751937 NXZFUKMQXRTEPA-OAHLLOKOSA-N 438.471 4.544 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc2c(Br)ccnc12 1636749009 BWXXOCADPQJDLH-UHFFFAOYSA-N 437.297 4.616 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 1637243826 KLECZJXDGXLPBJ-SIKLNZKXSA-N 436.552 4.789 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1641354196 SJWFDHDLCYPKFH-HNAYVOBHSA-N 448.972 4.711 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)s1 1645501236 BCZDMKKEGUSEQH-QGZVFWFLSA-N 436.965 4.607 30 10 IJEE COC(=O)c1cccc(NC(=O)C[C@H](C)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 1652269222 BWWWCASCBVQNJF-KRWDZBQOSA-N 429.476 4.966 30 10 IJEE CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H](C)c1cccc(OC)c1 1653199387 DPNCXSNMNYERPU-HXUWFJFHSA-N 430.552 4.996 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1655201290 DYWQHERJHQBGGC-INIZCTEOSA-N 434.361 4.562 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nnc1-c1ccccn1 1656356092 VEWNWLOYQAJHCM-MRXNPFEDSA-N 434.443 4.551 30 10 IJEE CCN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](CO)c1ccccc1 1658501412 HDGKMAODCOGLRE-VWLOTQADSA-N 429.520 4.919 30 10 IJEE C=C(C)CN(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1ccccc1 1658520779 MIMSWONPUZYDFO-UHFFFAOYSA-N 427.548 4.633 30 10 IJEE Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)c1 1661790704 QRKSKCTZRSEZKE-UHFFFAOYSA-N 448.544 4.891 30 10 IJEE COC[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)cc1 1665855236 GJWDTCNEIHFWCT-SFHVURJKSA-N 436.899 4.951 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCc2cc(Br)cc(F)c2C1 1666389198 BCZPIBQSYCMEMI-UHFFFAOYSA-N 432.293 4.837 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1668986263 PEIQHSXRMPJVIV-JOCHJYFZSA-N 446.457 4.890 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cc1C(F)(F)F 1669465209 BDVSRYSPHFOTQM-NRFANRHFSA-N 429.398 4.609 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1)c1ccc(F)c(F)c1 1671408043 APSJIXJHAVYGTQ-GOSISDBHSA-N 441.400 4.891 30 10 IJEE CCOc1cccc(CN(CCO)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 1671555703 FCIDUDFENVWSTH-FQEVSTJZSA-N 443.547 4.889 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCCC3)cc2n1 1674576494 KYNPMXJIJAWBBZ-NRFANRHFSA-N 441.576 4.817 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 1674713480 ABGKHZDWVSQLSN-VWLOTQADSA-N 428.511 4.755 30 10 IJEE C=CCCC(C)(C)CNC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 1681512142 WAANNVGIFYTREV-UHFFFAOYSA-N 434.628 4.800 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@@H](COC)C1 1689876896 LMDQJQICPDVGSM-GOSISDBHSA-N 445.405 4.764 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](COCC)C1 1690330480 IEVFWAIEIDNHAV-FQEVSTJZSA-N 439.991 4.968 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(CCOCC)CC2)CC1 1690364897 ZYERNFVYFWZUBV-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2CCC(OC)CC2)CC1 1690369666 STHNQWDZKZMRPD-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690382116 CERTTXDVHAPDBJ-REPLKXPHSA-N 430.980 4.871 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1690410461 MBPBVRVEFVSBNO-JOCHJYFZSA-N 434.506 4.788 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1690487768 FHRPCYIWNLGNCY-FQEVSTJZSA-N 444.004 4.831 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCN1CC 1690569256 DXEZAVKFXRLQTR-JOCHJYFZSA-N 448.590 4.855 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(OC)CCOC1 1690585419 KMRLKTXZNDXTIU-QFIPXVFZSA-N 444.988 4.797 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1690598804 ACXHMGOHBINUKY-IEBWSBKVSA-N 444.505 4.989 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)SC)C1 1690686732 SPGPPRBMVTZZHL-WOJBJXKFSA-N 444.645 4.958 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@H](CC)C1 1690736430 DMXRQZWYOAJJNT-WMZOPIPTSA-N 432.659 4.666 30 10 IJEE C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 1692731985 GRVPZMZCKIGVGJ-CDNOPDGFSA-N 443.542 4.581 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)N(C)C1CC1 1705480719 XTYNQIPJBWUOEG-LSDHHAIUSA-N 428.005 4.754 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ncc(CC)s1 1705546136 BRLQNUFZYVOURA-UHFFFAOYSA-N 427.986 4.950 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@H]1CC=CCC1 1705653677 MYJKOYFRJMBRPG-MOPGFXCFSA-N 428.577 4.716 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCOCCCC)CC1 1705777735 MISWVQZBCUDORQ-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCSCc2ccccc2F)CC1 1705783679 PTCCFKYMYLGJBR-UHFFFAOYSA-N 437.588 4.739 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705803164 HPGZTPVOGPWSSK-FPOVZHCZSA-N 439.604 4.959 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1705821015 IDIUGQLFGNJJDQ-UHFFFAOYSA-N 435.597 4.752 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1705830214 LGEQJFOCQPQUFG-HXUWFJFHSA-N 442.579 4.698 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCO[C@H](C)C1 1705860473 IPPHJGCHCXERAP-DENIHFKCSA-N 447.608 4.810 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1705860735 NZCGZDMLZFAXBU-YADHBBJMSA-N 434.632 4.661 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCc1csc(CC)n1 1705865287 VHKWJIZHLAYVEY-HXUWFJFHSA-N 441.576 4.723 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(F)(F)F)c1 1705874746 VQXLKJIEQHHOJA-IBGZPJMESA-N 436.478 4.688 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(CC)CC2)C1 1705921423 RTYQWTZLSPFOPT-INIZCTEOSA-N 449.368 4.818 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1705947898 BKQMWCVHNWNFND-FQEVSTJZSA-N 426.611 4.897 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)CCOC 1722304218 VXFODCXQUSVNLU-HNNXBMFYSA-N 439.387 4.685 30 10 IJEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1sccc1C 1722420899 IYLPJDGJPHIHAF-KRWDZBQOSA-N 444.988 4.576 30 10 IJEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC=CCC1 1722427868 SFGAOJLMUSCHHI-SFHVURJKSA-N 431.005 4.666 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1722483274 ILWJPZRQHCVVFX-UHFFFAOYSA-N 436.716 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)=C(C)C1 1722494020 LPWMXZZBNROEAY-GMAHTHKFSA-N 449.599 4.675 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722502215 RTRLEVJVWJAHFU-VKDGWMQASA-N 442.579 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCC(C)(C)C1 1722517010 JVMVDGFQXIXSGE-UHFFFAOYSA-N 439.648 4.998 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(OC(C)C)c(OC)c1 1722525802 IYYHBVGGNKETGY-IBGZPJMESA-N 444.486 4.837 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)c2ccsc2)CC1 1722562853 NHDNZULOPUNXAZ-JOCHJYFZSA-N 444.988 4.733 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cccn(CC)c2=O)CC1 1722582299 KGOXXHLOEDZVOX-UHFFFAOYSA-N 449.624 4.511 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722586197 WPENUOQTEQDFFC-QFIPXVFZSA-N 431.540 4.898 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722603143 OYVYCPGYCPZDSD-NRFANRHFSA-N 425.483 4.553 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722605721 PUVCWBJGAWVFAO-XMMPIXPASA-N 436.648 4.569 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722612146 DUOSKXODVYDSLD-SBUREZEXSA-N 443.979 4.668 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCOCCC(C)C 1722634650 SCUMGDYFVNHQRJ-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1coc(-c2cccs2)n1 1722642571 HYEQHMONQGCKGR-UHFFFAOYSA-N 441.944 4.898 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)c1ccccc1 1722685558 GCALCCRWPISPJP-AZUAARDMSA-N 425.577 4.776 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCc2ccc(OCC)cc2C1 1722737856 TWXTZUOEGBUGOV-UHFFFAOYSA-N 435.597 4.529 30 10 IJEE N#CCCN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCCC1(F)F 1731187905 CGMFYZZHHAXGEF-GOSISDBHSA-N 447.505 4.952 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H](OCC)C1CCCC1 1740537814 ZUBGANWFLFPEHS-NTKDMRAZSA-N 446.599 4.779 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCc1ccc(Cl)s1 1740558231 DNPOUXUYDFTSTJ-INIZCTEOSA-N 444.988 4.671 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN(C)c1ccccc1 1740563794 XCENLZSKAWRKGS-MDNUFGMLSA-N 437.632 4.571 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(Cl)s1 1740603428 SGCSMBQFECUNKH-UHFFFAOYSA-N 441.807 4.796 30 10 IJEE C=C(Br)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)OC1CCCC1 1740742147 DSPKXOALAOMODU-UHFFFAOYSA-N 430.350 4.656 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)Cc1ccc(Br)s1 1740744662 DIAYZNWWMLJENY-UHFFFAOYSA-N 448.228 4.846 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCS1(=O)=O 1740769484 MVVJWYZXXMKEJH-OAQYLSRUSA-N 444.645 4.612 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 1740809130 CFYMZHOTBXIGRF-ZDUSSCGKSA-N 431.787 4.733 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCCN2CCCC)CC1 1740829246 PTXAQHQARLKXHL-QHCPKHFHSA-N 437.632 4.977 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cc(C(C)(C)C)no2)CC1 1740839165 CAKBDLQPMWSNLV-UHFFFAOYSA-N 441.526 4.883 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1740861975 GNNHRXHMUIWOAM-OAQYLSRUSA-N 440.567 4.832 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740878803 WFPCGVGZGHUMMT-NRFANRHFSA-N 439.604 4.523 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1740882131 BIFOTEMULNMWQE-HXOBKFHXSA-N 430.980 4.969 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCO[C@H](C)C1 1740894452 UWMIDFBDVVZFPJ-KGLIPLIRSA-N 439.785 4.798 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1scnc1C 1740903478 CNHPRWCIJQRBCQ-UHFFFAOYSA-N 425.602 4.784 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1Cc2ccccc2O[C@@H](C)C1)C(C)C 1740927809 XNBAONDGBVFZHS-NZQKXSOJSA-N 435.616 4.642 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1741004984 BHXRJWAWUPVZBW-DEOSSOPVSA-N 444.645 4.726 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1743935538 AOXACJNEVMWJKG-NYMACZPPSA-N 435.616 4.891 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCN(CC)C1 1748646996 GXQSTPBVKNGEIM-HZPDHXFCSA-N 428.005 4.613 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCCC1(C)C 1748770420 BFAVLOQJUYSCNX-HOYKHHGWSA-N 445.007 4.699 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1748936444 ZEANUDWVWFNMES-UHFFFAOYSA-N 433.600 4.647 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C)C(C)(C)C1 1749021787 AJVBEZDXPOJWBF-MSOLQXFVSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C2CC2)C1 1749023483 SPEFDIKODJFWBE-SJLPKXTDSA-N 431.005 4.674 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOCc1ccccc1 1749131424 RWTVHAWKKVAXJN-JTHBVZDNSA-N 426.605 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CC1(SC)CCN(C)CC1 1749146352 DKIJQAZBCVWZGA-UHFFFAOYSA-N 427.662 4.737 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(C(=O)NCC)CCC1 1749146822 OHNXFQLGRRBYQI-UHFFFAOYSA-N 437.632 4.951 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)c1ccsc1 1749153070 NHZSMEDJFRQHEJ-DEOSSOPVSA-N 448.596 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1c(C)cccc1C 1749163063 BSTGDPJNGCJAGD-UHFFFAOYSA-N 428.584 4.779 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1749222408 HLBNHCPPGUMFBC-FGZHOGPDSA-N 437.588 4.659 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCS[C@@H](C(C)C)C1 1749239605 MVAGYWTXDDZVEW-JOCHJYFZSA-N 444.645 4.644 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C)c1ccccc1 1749247319 VHCBAUPFNYREJB-GMAHTHKFSA-N 437.632 4.711 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCOCC(C)C)CC1 1749288413 VXKQBHBDPVUEBK-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(CC)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1749369010 WHYYEJGOGWSJEJ-DFNIBXOVSA-N 431.625 4.810 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 1749447630 JJYOQEIBETVNSD-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc(C)cc1F 1749488917 PBVTUFGKYCPQSV-UHFFFAOYSA-N 443.567 4.511 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccc(C)nc1 1749564894 DSHPCRZATHFLLX-UHFFFAOYSA-N 442.336 4.777 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)=C(C)C1 1749763544 BDNZWLMHZPTENB-IBGZPJMESA-N 447.649 4.816 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ccncc1Cl 1760103222 BABMNORFQSAUFL-CQSZACIVSA-N 444.764 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760325777 SNPHYBIQXDLVHX-FUDKSRODSA-N 430.637 4.776 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCCC2)C1 1760351035 ADLOOYUEQBJBCD-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(OC)C1 1760351490 HTZFRKSOHGVEGU-MBSDFSHPSA-N 448.995 4.670 30 10 IJEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](SC)C(C)(C)C)CC1 1760388232 JDLSZNALWXTEGH-GOSISDBHSA-N 438.601 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](CC)C1 1760408263 HJYQHSAGNXWPEP-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1760413777 UEFABYJQYGSWGX-IBGZPJMESA-N 441.576 4.645 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1761077495 AYPNBGKLLFKIEB-IRLDBZIGSA-N 448.615 4.667 30 10 IJEE CC(C)COc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1761139235 FCNMYEWGGSYCMD-DHLKQENFSA-N 437.588 4.733 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C(C)C 1762643768 GEADQROTIZAFKA-VGSWGCGISA-N 448.571 4.762 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1ccccc1 1762808063 HJTLVXDHWRTTLX-UZEJHQAJSA-N 449.624 4.777 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nccs1 1772739178 YMZPLTFZWKXULL-SKCGTWTRSA-N 426.479 4.935 30 10 IJEE CC(C)Oc1ccc(-c2nn(-c3cccc4ccccc34)cc2/C=N\NC(N)=S)cc1 1857807346 CWJOGEZYRCUXSX-WGARJPEWSA-N 429.549 4.647 30 10 IJEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n(Cc2ccc(F)cc2)n1 1859411741 UVBCZMXSWPFICS-UHFFFAOYSA-N 441.422 4.770 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 1862380132 UQPZOYOBCUDKPH-IBGZPJMESA-N 434.319 4.998 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2cccc(F)c2)cc1 1862473318 AFTYBGMUOVVMDV-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1862478209 BDZIULUUFHOKDJ-QHCPKHFHSA-N 442.471 4.990 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccccc2)c1 1862487052 RFAGRLIDPGZOOH-DEOSSOPVSA-N 427.500 4.961 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(F)cc1F 1862491638 XVBMDDLLYKPDEV-NRFANRHFSA-N 429.463 4.587 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C)cc2)cc1 1862515564 SZTOSJPVXXHTDQ-FYYLOGMGSA-N 435.520 4.541 30 10 IJEE CC(C)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862560370 HOPUZEFOGXLOPX-HSZRJFAPSA-N 427.504 4.566 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862562286 BWUNRSSXMZFJMI-IBGZPJMESA-N 432.442 4.912 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1Cl)c1ccc2c(c1)OCO2 1862627108 JZEDJHLWYACYTK-FQEVSTJZSA-N 425.868 4.590 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 1862628469 ZIBLUCHBQPUAMU-WNSKOXEYSA-N 445.446 4.894 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2ccc(OCCC)cc2)C1=O 1863342260 TVMOSARSUOQBPO-UHFFFAOYSA-N 434.536 4.888 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1863647916 FDHJORZRRCWHBN-UHFFFAOYSA-N 448.542 4.932 30 10 IJEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N([C@H](C)c2ccc3c(c2)CCCC3)C1=O 1863704370 GGFCMLINIJYKBH-LJQANCHMSA-N 444.575 4.969 30 10 IJEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 1866818990 IJOVGWPFFIOXMZ-FTCDTSOASA-N 443.934 4.981 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2cc(Cl)ccc2C)c(C(C)(C)C)c1 1870144620 IDVKHNPIBXFTKR-UHFFFAOYSA-N 437.931 4.724 30 10 IJEE CC1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 1870157873 NMADDGKJOZECAL-UHFFFAOYSA-N 442.567 4.925 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870162472 UXTWSDRZKMUMMW-HUUCEWRRSA-N 431.805 4.553 30 10 IJEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 1871385928 ULJULIKRSXKGKW-UCQKPKSFSA-N 428.440 4.878 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)C(=O)Nc1ccc(C#N)cc1 1871435888 FULQSOATMSVHTP-WQKDKYNYSA-N 428.419 4.720 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc(O)cc3)c2C)C1=O 1871442386 DQPCCQRFGZRXTK-UCQKPKSFSA-N 445.471 4.733 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871459032 LPRGVJWLHNOVCR-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872088573 WJSFQRDQGZZJDC-MWTRTKDXSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1)S(C)(=O)=O 1872150716 WNUGSUIBDPCXOS-DEOSSOPVSA-N 449.576 4.948 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 1872312093 SSJASHJJSYWYQH-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872439957 ZQRNQEHTDHNQEV-IFXJQAMLSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)c1ccccc1 1872534005 QIHZHUAOYPXQKI-XMMPIXPASA-N 434.561 4.860 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cl)cc3)n2)c(OC)c1OC 1872788730 PCTAZFCXQSQIMY-HNNXBMFYSA-N 428.897 4.979 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)O[C@@H](C)CC)c2)=C(c2ccc(C)c(C)c2)C1=O 1873364079 MFLMNOYIZBYKGE-SFHVURJKSA-N 432.520 4.637 30 10 IJEE COc1ccc(N2C[C@H](c3nnc(SC)n3/N=C/c3ccc(C(C)C)cc3)CC2=O)cc1 1874199321 KZCBJSFRIAXGFA-RUDKWAFVSA-N 449.580 4.535 30 10 IJEE Cc1cccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SCCCO)c1 1874214978 PQYMIYCLKLSCLC-LFVJCYFKSA-N 444.988 4.608 30 10 IJEE COc1cccc(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SC)c1OC 1874215107 VSPMYXSWMCWZJZ-OEAKJJBVSA-N 446.960 4.564 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1/N=C/c1ccncc1 1874241273 YBKCMUIWDOKNFF-WGOQTCKBSA-N 445.548 4.825 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)N(CC)CC)n2/N=C/c2ccc[nH]2)CC1 1874286072 NRXDTEJOZDBNIZ-PCLIKHOPSA-N 444.649 4.913 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(COc2ccccc2)nnc1SCc1ccccc1 1874384460 PUPNHNOYTRSAIA-BUVRLJJBSA-N 445.504 4.940 30 10 IJEE COc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)c1O 1874417046 VJHQWMHFRKJABO-PCLIKHOPSA-N 430.533 4.758 30 10 IJEE Cn1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2[C@H]2CCCO2)c2ccccc21 1874448126 UOHGTYSFHLKBMG-RNRKLAHPSA-N 435.528 4.935 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1c(F)cccc1Cl 1874457304 KMAWBSQGABOUML-AUEPDCJTSA-N 438.956 4.902 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)cc1C 1874464373 GTAWPQIRCJTLBH-DHRITJCHSA-N 449.511 4.907 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)c1 1874465579 PVZAJRIGSSCKOD-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccccc2F)cc1 1874489041 XOFAOTWPBLKYBL-AFUMVMLFSA-N 439.560 4.791 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OC(=O)c1ccncc1 1875104312 QQDRAPHSJNBBTJ-MDZDMXLPSA-N 429.472 4.943 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNc2cc(Br)cc(F)c2C#N)C1(C)C 1885858082 SBHSEWPJAWRMHK-BDJLRTHQSA-N 426.330 4.811 30 10 IJEE O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCC#CCN1CCCCC1 1891295760 VJHVAQOKCWFZJQ-UHFFFAOYSA-N 427.548 4.547 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1902331397 DEXKTVKGNJMBBM-RBSFLKMASA-N 435.487 4.761 30 10 IJEE CCCN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 1956966677 YRLKRDDMEIQFFX-UHFFFAOYSA-N 431.183 4.560 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)CC1 1984694906 NQLWKMPXDOHROV-KBMIEXCESA-N 445.563 4.702 30 10 IJEE C=C(Br)CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 1985081185 RXTVQPDCDSSFKL-UHFFFAOYSA-N 448.155 4.777 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2CCN(C(=O)OC(C)(C)C)CC2)c1 2032400868 RGOQXCPBKRYKOQ-HXUWFJFHSA-N 445.560 4.976 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccs2)o1 2033813670 UGLJVNIJOVBDFF-IBGZPJMESA-N 442.924 4.839 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2038525368 OIPQUGVYJLIWBX-GJZUVCINSA-N 446.632 4.668 30 10 IJEE CCN(CC)c1ccc2cc(C(=O)C=Cc3cc(OC)c(OC)c(OC)c3)c(=O)oc2c1 2040475376 HHENFZCNBZPDLS-UHFFFAOYSA-N 437.492 4.561 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CC[C@H](CC)N(C(=O)OC(C)(C)C)C1 2040661374 OIZFPEMKKWXYKT-JCYRPKCISA-N 446.632 4.668 30 10 IJEE CCc1ccc([C@@H](CC)n2nc(C(C)C)c(/C=N/O)c2I)cc1 2079062662 UBWSSEKILVUUAU-MBTVCVBTSA-N 425.314 4.981 30 10 IJEE CNCc1nn(Cc2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1Br 2079241149 YYFYIEPTJWBHGR-UHFFFAOYSA-N 434.153 4.590 30 10 IJEE CC1(C)OB(c2ccc(CN[C@H]3CN(Cc4ccccc4)CC4(CCC4)C3)cc2)OC1(C)C 2151192483 HWPXABOLYKZDGA-RUZDIDTESA-N 446.444 4.520 30 10 IJEE Cc1csc(CN(C)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)c1Br 2157018937 RSMYMTJQRRAJCY-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE N#Cc1ccc(Cl)cc1N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2162288580 UJLUOHLWPTZGDI-FQEVSTJZSA-N 425.916 4.584 30 10 IJEE CC1(C)C[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CN(C(=O)OC(C)(C)C)C1 2180875562 VCFNYIVUSYYESD-AWEZNQCLSA-N 436.350 4.542 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235729062 MHRMETZYEMEWFH-PMACEKPBSA-N 435.406 4.958 30 10 IJEE CCCC1([C@H](C#Cc2ccccc2Br)NC)CC(NC(=O)OC(C)(C)C)C1 2235744948 ALYZXUKCPSTQKX-OZWAEMERSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](CC#CC1CC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248456913 WICQBDNWXNVQSU-HSZRJFAPSA-N 426.601 4.612 30 10 IJEE N#Cc1cccc(Br)c1N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2257506976 RFVMNZODWAWQAC-LSTHTHJFSA-N 440.341 4.922 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3scc(Br)c3Cl)cc2)OC1(C)C 2264615677 GKXSMSUZKSQVJO-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)CCCCC1 2267559571 QYMZCUMMJIMQOH-SZPZYZBQSA-N 440.437 4.810 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2296270377 ZBHRZXRLUPYOJQ-YSIASYRMSA-N 435.406 4.862 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 2297062024 GNTVPVSPQKKLNQ-DEOSSOPVSA-N 442.515 4.799 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C1=O)cn2C 2297471952 ALLOFORPFNVPQA-MRXNPFEDSA-N 432.520 4.741 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1nc2ccccc2s1 2297736530 YQTPWVALQMCZDG-UHFFFAOYSA-N 432.534 4.919 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@]1(C)CC 2315240230 AIQUTULKTUOAFA-HRNNMHKYSA-N 446.632 4.668 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2ccc(NC(=O)OC(C)(C)C)cc2)n1 2315396727 DNRQHECVYVRJLU-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317352387 YPFIFSHPZGZSPP-MSOLQXFVSA-N 430.354 4.551 30 10 IJEE Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1cccc2ccccc12 2321193362 JMVTWWQARWVKDE-QGZVFWFLSA-N 429.549 4.591 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 2321201860 RARPVVWFVUWMMP-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1cccc(Cl)c1 2323160974 WCTDAWMVYFUOOF-YADHBBJMSA-N 435.008 4.572 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)Cc4ccc(F)cc4)cc(C)c3C2=O)c1OC 2323222951 KLQXACDRXJHJLM-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)OCC(C)C 2323943591 FTVKGMGFFAOKTI-UHFFFAOYSA-N 426.509 4.795 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)cc(Br)c1OCCCO 2323985198 AALXHKVJTAPUFH-UHFFFAOYSA-N 437.305 4.953 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC 2325703316 CCEBSZLTHNBQQY-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(Br)cc1C=Nn1cnnc1SCc1cc(C)cc(C)c1 2326392979 PLKJKJCCYZIWBI-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(OC)c1OC 2327672042 ACBUMPGKFAXROR-UHFFFAOYSA-N 444.944 4.688 30 10 IJEE C=CCSc1nnc(COCc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329351804 KLUYQNFZQMMBDN-UHFFFAOYSA-N 443.916 4.717 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(C(=O)OC)cc1 2329421935 OKXRPNYDTLPCFU-UHFFFAOYSA-N 434.565 4.823 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccccc1C 2330221445 CESOPLLVWMCWHR-UHFFFAOYSA-N 427.618 4.552 30 10 IJEE COc1cc(C=Nn2c(CC(C)C)nnc2SC)cc(Br)c1OC(C)C 2331418386 WMBCENVEOYZLSI-UHFFFAOYSA-N 441.395 4.639 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccncc2)c([N+](=O)[O-])c1 2331665393 TYLHWHDLKPBGRZ-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1cc(Br)cc(OC2CC2)c1 2337408899 PIQWTQSMGRFODE-MSOLQXFVSA-N 426.351 4.883 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339584964 ISOUOLNGORXCND-MOPGFXCFSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339586150 AEYVDRPQYHVYGB-UHFFFAOYSA-N 444.381 4.895 30 10 IJEE CC(C)(C)OC(=O)N1CC=C[C@@]1(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339603964 IVWVTITWGHGHET-DEOSSOPVSA-N 442.365 4.671 30 10 IJEE C=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(O)c(OCC)c1 12653220 NNFLJVBGXFBYFI-YJSNIEKLSA-N 445.491 4.891 30 10 IJEE COc1ccc(CN(Cc2ccc(OC)cc2)C2=N/C(=N\CC(=O)C(C)(C)C)S2)cc1 20312842 HXPKFCZAQRKOFL-YYDJUVGSSA-N 439.581 4.780 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@@H]1CCCO1)[C@H]2c1ccco1 21355901 ZTZGKADJJBQRFH-HJPURHCSSA-N 435.524 4.785 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 26192946 DFIYTXGRKAQSMM-CQSZACIVSA-N 442.928 4.826 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(Br)cc1 38704813 IWMMNYIJNOKEGJ-OAQYLSRUSA-N 438.325 4.893 30 10 IJEE COc1cccc(/C=C2\S/C(=N/c3nnc(C)s3)N(c3ccccc3)C2=O)c1OC 39866396 KBAHMQHOSIJFSH-PJTLKFSUSA-N 438.534 4.672 30 10 IJEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCOC)C4)C2=O)c2ccccc21 41589078 PVOXUVUVGKWLQR-QRVIBDJDSA-N 432.520 4.774 30 10 IJEE COCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 106442475 LWTXCJQENKKRSM-QQYUXEJHSA-N 443.499 4.855 30 10 IJEE N#Cc1ccc(Cl)c(-n2c(S)nc3cc(I)c(F)cc32)c1 127973257 SPTCVWXDSZKVFP-UHFFFAOYSA-N 429.645 4.583 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccccc1O 169942518 VCBPNRRRCPYGOF-QHCPKHFHSA-N 440.455 4.665 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2cccnc2)cc1 170009870 HOHYFAPHNOWWPN-OAQYLSRUSA-N 434.879 4.786 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@@H]2c2ccco2)cc1 170096439 CVAWBINMQMKTTL-HSZRJFAPSA-N 447.487 4.508 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2sccc2C)cc1 170105919 ZCULZYKVBQWRKN-FQEVSTJZSA-N 449.484 4.577 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2)cc1C 170114516 VELHMBQTAPQHRF-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cc(C)cc(C)c2OC)=C(O)C(=O)N1C1CCCC1 170125960 BOWJBQAGCABGCR-QFIPXVFZSA-N 435.520 4.842 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(O)cc2)c1 170135667 CGYXXRRHVHEXIQ-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OC(C)C)c1 170153662 YGCDBEFCYVBNEY-WAIKUNEKSA-N 435.520 4.786 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccccn2)cc1 170171644 JGNXCTXOIBGBAY-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)ccc1OC(C)C 170192995 AJWJWRLQEMDEPJ-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccncc2)c1C 170203166 KUSCGQDJZKJSLX-GYCJOSAFSA-N 440.499 4.805 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170214835 JTTYTAFQAAKTAJ-DEOSSOPVSA-N 447.531 4.931 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170265970 NYYVHYGVOXKPHP-LADGPHEKSA-N 449.547 4.794 30 10 IJEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1 170536768 HNXGHQKOCPTSSC-UHFFFAOYSA-N 425.492 4.707 30 10 IJEE CCCNC(=O)c1c(N=Cc2ccc(COc3cc(Cl)ccc3Cl)o2)cnn1C 254771192 SWFWYVDIXDNDBT-UHFFFAOYSA-N 435.311 4.789 30 10 IJEE O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)NC2CCCCC2)cc1 254818918 RJOFVGHZRUOTKH-UHFFFAOYSA-N 448.552 4.578 30 10 IJEE N#Cc1cccc(CNc2cc(Br)ccc2I)c1F 311353542 AEIDHFSIXNFYCD-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE Fc1ccc(I)cc1[C@H]1CN(Cc2ccccc2)C[C@H]1CS 382718301 LXXWIICYQHYPMZ-YOEHRIQHSA-N 427.326 4.576 30 10 IJEE C=CCN(C[C@@H](Cc1cc(Br)ccc1F)NCCC)C(=O)OC(C)(C)C 406713762 QIUPOFPJLLBGJD-QGZVFWFLSA-N 429.374 4.922 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H]1c1nc2ccccc2s1 433952696 GZRZVLHIKNCTOM-XLIONFOSSA-N 434.565 4.777 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 508901859 HOWACMQHHDPHBF-MVWVFHAYSA-N 436.581 4.737 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 516983507 CUTLLEGTRMBLMG-MRXNPFEDSA-N 425.533 4.797 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 521075438 OJQQYPXFRPQXNP-FQEVSTJZSA-N 436.556 4.725 30 10 IJEE Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 524305442 MTAUVPLHKLNYNZ-UHFFFAOYSA-N 444.491 4.678 30 10 IJEE CCn1cc(/C=N\n2c(C)nnc2SCc2ccc(C(=O)OC)cc2)c2ccccc21 526827536 URQPYUUITDPPMJ-CFRMEGHHSA-N 433.537 4.522 30 10 IJEE C=C[C@@H](CC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 538597660 DSVAFTCORLTRID-IBGZPJMESA-N 433.470 4.841 30 10 IJEE N#Cc1ccc(CN(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C2CC2)cc1 542375651 YEELUSUQGUDLKT-UHFFFAOYSA-N 425.414 4.959 30 10 IJEE C=C(C)Cn1c(COCC)nnc1N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 549657205 ZENVOZDYCQTBGE-IBGZPJMESA-N 442.608 4.671 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 568667757 DUAGROSAANXUJB-XMSQKQJNSA-N 449.020 4.574 30 10 IJEE CCn1c([C@@H]2Cc3ccccc3CN2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 581322765 ANZMVCUEDWHKSN-DEOSSOPVSA-N 440.595 4.728 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 585825427 HMVCBNPCGBPEKM-ZZMOASCLSA-N 425.960 4.988 30 10 IJEE CCOc1ccc(/C=C/C(=O)N[C@@H]2CCNC[C@@H]2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 585837021 PPNUKXUHGADWAI-XTONBBDBSA-N 446.591 4.599 30 10 IJEE Cc1ccc([C@H](C)CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cc1 610030380 PIYDWVUTRMJCQR-OAHLLOKOSA-N 449.498 4.878 30 10 IJEE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cc(Br)c(C#N)cc1F)C2 705649613 BWJYZEUMIJMKRZ-FGZHOGPDSA-N 428.349 4.808 30 10 IJEE COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 728297492 GVEJLCCWTQACRX-ZWKOTPCHSA-N 447.510 4.963 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cc(C)ccc1C 733197628 PWWVUELZKNUEMO-HXUWFJFHSA-N 441.503 4.565 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 759238164 GYDXTKMEVKHVCQ-QHAWAJNXSA-N 428.488 4.657 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 790884843 SGIBDUXICUZLPB-MZLICYQSSA-N 432.536 4.508 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3COC(=O)N3CCCC3)cc2)cc1 1128744296 HIZQOSRVWKZNJJ-QFIPXVFZSA-N 447.535 4.772 30 10 IJEE N#Cc1cc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)ccc1Br 1129358567 HZKSFVMEQRXJDC-UHFFFAOYSA-N 446.102 4.521 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 1129783986 HMTUETDDPMLUPK-HXUWFJFHSA-N 428.458 4.571 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1130322230 FPWHJAXXKKEHDY-XMMPIXPASA-N 432.564 4.981 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1nnn(Cc2cccc(Br)c2)c1CCC 1133391706 ROQXENKPYPRODZ-UHFFFAOYSA-N 433.394 4.764 30 10 IJEE C=C[C@H](CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1134621438 USJFJMNOCRZSJU-MRVWCRGKSA-N 427.335 4.976 30 10 IJEE C#Cc1cccc(NC(=O)C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)c1 1135436562 OPERNTKLNWKSMB-QGZVFWFLSA-N 432.442 4.550 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(NC(=O)c2sccc2C)cc1 1136712000 NLNONEDWBOOCHK-SFHVURJKSA-N 442.537 4.521 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(CCCC)cc2)c1)c1ccccc1 1143127192 UZPWNCMBRHDELG-RUZDIDTESA-N 446.572 4.934 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1Br 1159427972 SPJLYANQPJWOOZ-MRXNPFEDSA-N 425.367 4.733 30 10 IJEE C=CCOc1ccc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)cc1OC 1167037824 KCLYQWYHLILPFW-UHFFFAOYSA-N 430.342 4.775 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)OC 1177958281 DQOLARMCQMXLIX-UXHICEINSA-N 446.341 4.583 30 10 IJEE C=CCn1c(Sc2cc(Br)cc(C)n2)nnc1[C@H]1COc2ccccc2O1 1184688698 MKIFRKWCAXCAKA-MRXNPFEDSA-N 445.342 4.594 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2cc(Br)ccc2C#N)C1 1187606636 CWQMMIACYGGDGJ-CYBMUJFWSA-N 430.293 4.625 30 10 IJEE N#Cc1cc(Br)ccc1OCC(=O)NCC1(c2ccccc2)CCCCC1 1188950654 AEQFMLLOSSKZCP-UHFFFAOYSA-N 427.342 4.718 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC(C)(c3cccc(Br)c3)CC2)cc1 1192292353 RNQJTQIPEYCGTR-UHFFFAOYSA-N 425.370 4.813 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 1198877404 CZAKQGZGOXGHGO-LJQANCHMSA-N 432.524 4.714 30 10 IJEE C=CCC1(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CCCCC1 1214866314 VAFIZTLJOCILFG-YYADALCUSA-N 446.617 4.680 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cc(C)cc(NC(=O)OC(C)(C)C)c1 1248680677 QZDGHAVYAOEPSY-UHFFFAOYSA-N 443.544 4.715 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1286349187 UNOMCWUYUNKTBG-FPOVZHCZSA-N 433.556 4.655 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@](C)(O)c1cccs1 1286450542 DTLTUEOAQMCLGX-KSFYIVLOSA-N 444.988 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(C)C)CC1 1286553851 VUWDELXHTRZJDS-UNMCSNQZSA-N 444.023 4.500 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(Cc1cccs1)C(C)C 1286564965 OBMVONBOTZEEFZ-NZQKXSOJSA-N 437.613 4.722 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccccc1C 1286700012 XBXYFIPZGLOGLT-NRFANRHFSA-N 445.615 4.924 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1286735773 MKRFDILWGLDJID-UHFFFAOYSA-N 445.995 4.544 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCSC1 1286740539 PFSNAFQBTGGOLQ-HXUWFJFHSA-N 435.597 4.685 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC=C 1286749257 OBRADSVDRKUPEQ-UHFFFAOYSA-N 443.617 4.833 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCC1 1286833255 YFPWGFRLCOFYBG-IBGZPJMESA-N 449.665 4.548 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 1295281800 XRRSULWMONQVGI-LJQANCHMSA-N 426.561 4.986 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 1296480386 BQCSJENKKTVZLG-INIZCTEOSA-N 446.897 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)C1CCCCC1 1300282381 HQAXOCPMKRXOEK-FUMQJTLXSA-N 440.657 4.921 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@@H]1C 1300339673 QUIMAMAKMFDFMO-RBUKOAKNSA-N 430.980 4.717 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(COC)CCCCC1 1300440379 WGANOTFYHYOODM-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@@H]1CCO[C@H](C)C1 1300656515 IQNBYMGLGLSFEJ-NHCUHLMSSA-N 438.616 4.534 30 10 IJEE COc1cc(-c2cc(C(=O)N3CCC[C@@H](CC#N)C3)c3ccccc3n2)cc(OC)c1OC 1300688515 CLERGEGDJUYTGZ-KRWDZBQOSA-N 445.519 4.693 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@@H](C)C1 1301221730 NTABYOXJGMKEQA-UXHICEINSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1 1301237291 OXNBZJMZVHSQTI-FQEVSTJZSA-N 425.577 4.953 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C)C1 1301246700 WKGWEFPUTXPQCX-KRWDZBQOSA-N 442.560 4.631 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CC1(N2CCSCC2)CCCC1 1301282901 NLGJKELYUXLQCD-UHFFFAOYSA-N 432.037 4.582 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC=CCO1)C1CC1 1301317294 PULUWPOFFSDASY-INIZCTEOSA-N 449.780 4.861 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H](SC)C(C)(C)C 1301342377 WCWXABBXXPVEDN-NHCUHLMSSA-N 439.629 4.972 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCc1ccc(Cl)cc1 1301358310 YCHWLRZCPJCUCO-UHFFFAOYSA-N 444.004 4.567 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCOC2(CCCC2)C1)C(C)C 1301366248 AIBSDLQVAIOZCI-DEOSSOPVSA-N 449.643 4.793 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS[C@@H](C)[C@H]1C 1301617336 DEIVEDWDFOIXFL-MSOLQXFVSA-N 427.643 4.531 30 10 IJEE C=CCOc1ccc(CC(=O)N2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)cc1 1302891020 UELCJRDJVOXGLA-RUZDIDTESA-N 430.589 4.583 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](CC)Cc2cn(C)c3ccccc23)cc(OC)c1OC 1311748397 PLRGYPQLNVMKHU-OAQYLSRUSA-N 435.568 4.745 30 10 IJEE CN(CCCc1nnc(COc2ccc(-c3ccc(C#N)cc3)cc2)o1)C(=O)OC(C)(C)C 1323938429 MTAOVKXGGRZIKS-UHFFFAOYSA-N 448.523 4.987 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)C3=Cc4cc(Br)ccc4OC3)c2C#N)C1 1350719293 HWNCWPMJNSHLOL-NSHDSACASA-N 429.339 4.922 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)CCCN1C(=O)OC(C)(C)C 1356164090 GMAXGVFHCWCAPR-DEOSSOPVSA-N 442.535 4.913 30 10 IJEE CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1357156501 FQSHTJJKARKZKL-UHFFFAOYSA-N 428.492 4.660 30 10 IJEE CC(C)[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccc(C(F)(F)F)c1 1358199821 CWDGRTAWOKRIEM-LAUBAEHRSA-N 430.426 4.870 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1358922064 RYCAEWZDUJNPDC-UHFFFAOYSA-N 435.959 4.763 30 10 IJEE C#CCSCCn1c([C@@H](C)CC)nnc1N(C)Cc1csc(Br)c1 1359049960 ZYFYWLPSPJGNQV-ZDUSSCGKSA-N 427.437 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1OCCC1(C)C 1359064440 SIZFPNGWJNUZIK-WDZJFXIESA-N 436.600 4.842 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H](CCC)OC 1359064986 FIJOPZOOUVLPQC-GHTZIAJQSA-N 431.378 4.515 30 10 IJEE C=C(Cl)Cn1c(N(C)CC2CCCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359156747 OUPVGLKWNTUSKB-HDICACEKSA-N 438.016 4.818 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](c2cccnc2)C(C)C)CC1 1359168602 BCAJELJZSXMGBC-QFIPXVFZSA-N 447.583 4.857 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359259216 OKDFKWNGNPVCPH-DHIUTWEWSA-N 444.627 4.577 30 10 IJEE CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCCC1(C)C 1360118408 HDRFZUAHPGEBLA-RUZDIDTESA-N 433.556 4.766 30 10 IJEE C=CCC1(NC(=O)c2cccc(OCc3ccccc3Br)c2)CCOCC1 1437478983 KPYAMBJYNMUABR-UHFFFAOYSA-N 430.342 4.883 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1439944014 UKNXUNYLKAFKJT-FQEVSTJZSA-N 441.341 4.550 30 10 IJEE C=CCN(C(=O)c1cccc(NS(=O)(=O)c2ccc(OCC)cc2)c1)c1ccccc1 1450685660 DNMCOXJCEIBFIX-UHFFFAOYSA-N 436.533 4.719 30 10 IJEE CC#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CCC2 1452867842 YSOBKZYSSLFESS-OJLMNSMJSA-N 440.543 4.624 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)oc2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1458728368 CUEDAWTZPRVHLJ-LBPRGKRZSA-N 444.578 4.749 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)[C@H](CO)CC(C)(C)C)c2C#N)C1 1460103550 DKXPYNNLYCYHPP-IRXDYDNUSA-N 433.662 4.828 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2cc(Br)ccc2OC(F)F)cc1 1462994838 PIBAULCVADDVSN-UHFFFAOYSA-N 446.313 4.648 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)CCCN1C(=O)OC(C)(C)C 1466059064 CPDGCSMRFWUBNT-QFIPXVFZSA-N 429.542 4.800 30 10 IJEE O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1466845429 ABTGKXVUAICJOW-SJLPKXTDSA-N 435.339 4.759 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 1467699417 IANGUGGKOJMTMZ-HXUWFJFHSA-N 441.318 4.671 30 10 IJEE C#CC[C@@H](NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)c1ccccc1 1469447525 DVXJMPBQOSLVKF-PGRDOPGGSA-N 440.385 4.602 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1I 1470768303 NGEWNJHUXVNRJB-UHFFFAOYSA-N 440.712 4.842 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1 1470785665 BYWNFDZFDPYPPV-QUCCMNQESA-N 425.598 4.812 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C1CCOCC1 1470864628 HGWRGMPMVSBSMJ-RUZDIDTESA-N 434.580 4.761 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(C)cc1 1473008913 LMUQDPCOXPEHNB-INIZCTEOSA-N 426.973 4.890 30 10 IJEE Cc1c(S(=O)(=O)NCc2cccc(-c3ccc(C#N)s3)c2)oc2ccc(F)cc12 1474991457 FWYXMUQNZAQLBR-UHFFFAOYSA-N 426.494 4.959 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1507570444 CXXSXIUWFSGKOF-SFHVURJKSA-N 446.889 4.834 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(Br)cc1 1507804620 HIVLCMSXFDGRPS-NQIIRXRSSA-N 445.405 4.611 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1507826830 FBTOAHDAGLEPHL-QGZVFWFLSA-N 437.544 4.713 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1507926702 VVRJHCFRNOIBDV-SFHVURJKSA-N 445.970 4.685 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(Oc2ncccc2F)CC1 1507941528 IGAPACMGNIBILA-UHFFFAOYSA-N 437.519 4.502 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1CCCC(=O)N(C)C)C1CC1 1507988566 USHOGYGPTSLGJC-UHFFFAOYSA-N 444.004 4.836 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1508025917 QXBJHLJQWZBJHP-OYRHEFFESA-N 427.637 4.772 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1508164114 YTOFTPVYQCXZFW-ADKRDUOOSA-N 434.675 4.721 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCC(C)(C)C1CC1 1516337138 DJSXZBCUMBATQL-UHFFFAOYSA-N 437.588 4.822 30 10 IJEE C#C[C@H](NC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1525070207 OMWSSGBXMQMKCZ-INIZCTEOSA-N 428.769 4.781 30 10 IJEE C=CCN(C(=O)Cc1sc(C)cc1C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1525329949 HPPNGBZSLREMFD-UHFFFAOYSA-N 446.619 4.654 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C 1525730818 KVGIFRJCCJWBEK-XMMPIXPASA-N 434.625 4.946 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)C(=O)OCC 1533738578 KUKDMMNLUNYLCG-INIZCTEOSA-N 431.945 4.677 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)/C(C)=C/c2ccc(Br)o2)cc1 1535141000 IMMPFJFVNXKOJR-CCEZHUSRSA-N 429.314 4.898 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 1535721113 AYKDAXYTTXAUFR-XIBJSWNYSA-N 441.560 4.703 30 10 IJEE Cc1c(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)sc2ccc(C#N)cc12 1538225898 FBSSMJVCPVKFAC-OAHLLOKOSA-N 431.286 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](CC(C)C)N(C)C 1538983914 ZBQLVBOXJCJNEC-HBFSDRIKSA-N 427.662 4.566 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCSC1(C)C 1538984482 JSIOPNLUJQJFEO-GDBMZVCRSA-N 433.419 4.697 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1539034310 BRSJUKXCHGXEOF-YDSTWLSQSA-N 445.032 4.623 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 1539040545 WENOLHZPCODBMY-MJGOQNOKSA-N 445.489 4.505 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c(C)cccc1C 1539338217 RMXOVGVLDOMIBE-DNQXCXABSA-N 432.612 4.519 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCCCCC1 1539641166 LFHHFOKZRLGGNU-WMZHIEFXSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2c(Cl)cccc2C1 1539902327 DYROQOUGIHBMEE-QGZVFWFLSA-N 432.996 4.821 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1539953782 VGDZMAHRBPFSKP-HNVPCBRESA-N 438.616 4.951 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC(C)C)C1CCCC1 1539986432 YQUFLRVGUTVZQI-UHFFFAOYSA-N 430.618 4.720 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)CC1 1542683832 DYDQDQSFGRVPNO-UHFFFAOYSA-N 430.335 4.567 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(OC)cc3OC)cc2)cc1 1543353692 VVZWKQGJGHUGNR-UHFFFAOYSA-N 431.492 4.616 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)NCc2ccccc2Oc2cccc(F)c2)CC1 1564005086 FXUVEYKTPQIMHY-UHFFFAOYSA-N 430.483 4.521 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H](c1nccn1C)C(C)(C)CO)c1ccc(C(F)(F)F)cc1 1564407070 VMQFJQBWGINBDK-QZTJIDSGSA-N 438.494 4.505 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 1565445147 SGSPTUGMLHSQAW-JTHBVZDNSA-N 439.600 4.889 30 10 IJEE C#C[C@@H](CC)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1568623368 GNJJKAZMSZJTDT-FNZWTVRRSA-N 438.527 4.794 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c2)cc1 1583224308 BJYQTUYGQVKBME-UHFFFAOYSA-N 435.531 4.568 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1584753709 RINHVJAIBCLKDG-BHIYHBOVSA-N 440.506 4.898 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1Cc1ccc(-c2ccsc2)nc1 1587609518 QBEWSAKXJJMFDD-KRWDZBQOSA-N 429.549 4.583 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OC(C)C)CC1 1587705742 HQSBLMNYCCYTCW-LJQANCHMSA-N 428.552 4.755 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC1CC1)C1CCC1 1587831479 OXFSZSJGCNNXCH-UHFFFAOYSA-N 443.389 4.899 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCSCC(C)C 1587937340 KQTVHCLHQLUYEQ-UHFFFAOYSA-N 441.826 4.820 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCO[C@H]1CCCC[C@@H]1C 1588011853 MLXMFIZDKLXJGP-GMAHTHKFSA-N 438.616 4.954 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncc(CC)s1 1589042784 OCLFAEZAANCUAC-UHFFFAOYSA-N 432.018 4.620 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccccc1F 1589126203 XNVFBUPRMSPYDP-FBBABVLZSA-N 444.620 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCCC1 1589176870 BEVBOZKBVXCIID-JOCHJYFZSA-N 432.399 4.730 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CC(C)C)C1 1589502838 AFIPYTHBHYZCAV-CUWPLCDZSA-N 429.996 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCCc1nc2c(s1)CCCC2 1589668895 GTWLXOKQEMGJDM-UHFFFAOYSA-N 436.629 4.634 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccccc1 1593796285 NXTMFURAZIXBGX-HSZRJFAPSA-N 448.615 4.637 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCCOC2)C1 1594461073 HYEWACKZCFTZAD-NRFANRHFSA-N 448.409 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC2(CCC2)C1 1594461181 LIFXZNRZQIIUNR-UHFFFAOYSA-N 440.588 4.954 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 1594535541 SHTUAAZQGOWEOP-GGAORHGYSA-N 438.616 4.783 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C[C@@H]1CCOC1)C1CC1 1594703410 JHXRFISXLNTQKX-INIZCTEOSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1 1595148908 CAFSONBSRHDUAP-PMACEKPBSA-N 436.629 4.715 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC=CO1 1595261300 PUDWZQULXWBAMS-YPAWHYETSA-N 440.588 4.718 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1595414975 GFMVLMQOUMFSAR-OAHLLOKOSA-N 442.466 4.648 30 10 IJEE C#C[C@H](NC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)c1ccc(Br)cc1 1596985995 YOBCEPYPLVPYIE-FQEVSTJZSA-N 441.369 4.672 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)ccc2c1=O 1598339394 UWPYPTFJGFYRIG-NRFANRHFSA-N 437.540 4.672 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CCCS1 1611734510 HQLQCOXXNDCAFJ-KSFYIVLOSA-N 429.565 4.583 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C 1623847910 ORPYJFUOUFFJDJ-GBXCKJPGSA-N 432.609 4.842 30 10 IJEE C#CCN(CC(=O)N1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1)C(=O)OC(C)(C)C 1623859408 ZOPVHNGSAIKGGE-NOZRDPDXSA-N 448.563 4.623 30 10 IJEE C=CC1(CC(=O)N[C@H](C)c2ccc(F)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 1629002400 WZBAFEWBBATDAN-CYBMUJFWSA-N 441.341 4.579 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCC12CC(CN1C(=O)OC(C)(C)C)C2 1636336370 LDWVWYJRLWEKJQ-UHFFFAOYSA-N 430.593 4.548 30 10 IJEE C=C[C@@H](C)ONC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1640635514 SSJGJYZSSKSLCF-CJAUYULYSA-N 442.515 4.889 30 10 IJEE N#Cc1ccc(NC(=O)CCN2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cc1 1641806965 BSMJIBJXTCANFS-UHFFFAOYSA-N 432.351 4.985 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCc3ccc(Br)cc3C2)ccc1Cl 1643081071 AZGCHKSRAUXDJC-UHFFFAOYSA-N 446.776 4.716 30 10 IJEE C=CCn1c(SCc2cc([N+](=O)[O-])ccc2Br)nc2ccccc2c1=O 1651611896 VLOCWSCAZKMLOM-UHFFFAOYSA-N 432.299 4.546 30 10 IJEE C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CCCC3 1651629659 XZYPWKGEZJOGHV-IBGZPJMESA-N 426.607 4.972 30 10 IJEE C#CC[C@H](NCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)c1ccccc1 1653095887 GCVMLFKJXMAVPM-QFIPXVFZSA-N 429.589 4.909 30 10 IJEE Cc1cc(Oc2cc(Cl)ccc2CN(C)S(=O)(=O)c2cccnc2C#N)ccc1F 1656712183 BRELXGGQKMUQMT-UHFFFAOYSA-N 445.903 4.667 30 10 IJEE C=CCc1cc(CN[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc(OC)c1O 1657765299 LLWSEQVYUSBWPZ-BWAGFHJFSA-N 430.589 4.643 30 10 IJEE C=CCc1ccc(OS(=O)(=O)Cc2cc(Cl)ccc2Br)c(OC)c1 1660322943 UCOBLQJNSNVFPY-UHFFFAOYSA-N 431.735 4.748 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 1667018291 FRVYFOYZVWDCAD-AYOQOUSVSA-N 444.601 4.896 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccc(Br)cc1 1668403027 WGPAEIKMQWXRLK-OAQYLSRUSA-N 436.309 4.919 30 10 IJEE N#CCOc1cc(F)ccc1NC(=O)N1CC2(CCC2)c2cc(Br)ccc21 1669922855 FGAKXLWIHIVRJK-UHFFFAOYSA-N 430.277 4.964 30 10 IJEE COc1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)c(OCc2ccccc2)c1 1670365456 BUABQMWRIYDLSH-UHFFFAOYSA-N 448.548 4.561 30 10 IJEE C#CC1(NC(=O)Nc2cc(I)cc(C(F)(F)F)c2C)CCCC1 1674731813 AHWKSBUHOIWHNJ-UHFFFAOYSA-N 436.215 4.686 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)cc(OC)c1OC 1676275137 OVAHUASQXJWYKX-FQEVSTJZSA-N 438.568 4.605 30 10 IJEE C[C@@H](NC(=O)NCc1ccc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1 1680010233 IBOIJDKCPWLQRI-OAHLLOKOSA-N 435.325 4.943 30 10 IJEE C=CCC[C@H](NC(=O)N1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1)c1ccccc1 1680581809 XWRQUOGHHOXYKD-MOPGFXCFSA-N 427.570 4.835 30 10 IJEE C=CCC1(CNC(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CCCC1 1681085297 ULUILGXKNURWTD-HXUWFJFHSA-N 433.515 4.754 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(Cl)cc1F 1681469574 FHMZJIPOZHIRHT-VQIMIIECSA-N 449.954 4.775 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(NC(=O)CC(C)C)c1)c1ccc(Br)cc1 1683172411 JOUSXMXOBSUNHX-FQEVSTJZSA-N 442.357 4.607 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 1683289116 NOBFUTGNHOLUKB-OAQYLSRUSA-N 426.532 4.861 30 10 IJEE C=CCc1cc(CNC(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cc(OC)c1OC 1683367383 NQLHOPIZYXRWSW-UHFFFAOYSA-N 425.312 4.840 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)c1ncc(C)s1 1690038414 OTTPNJUBRIJRBS-OAHLLOKOSA-N 441.963 4.769 30 10 IJEE C=C(Br)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCOCC1 1690221986 GAOGXTKGRQQSEX-UHFFFAOYSA-N 449.349 4.558 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC(C)=C(Br)C1 1690316139 YBSBTYZDBOORQU-UHFFFAOYSA-N 445.405 4.649 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1690365605 ANZSCPLTKIKQGG-UYAOXDASSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1690426538 RGLBSDUBTGNWHN-OAQYLSRUSA-N 441.526 4.742 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@](C)(O)c1cc(C)oc1C 1690571623 DJLRVZDGQCGONJ-VWLOTQADSA-N 438.547 4.680 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CC(C)(C)C2)C1 1690686605 QNNGHKVIBWYYHX-HKUYNNGSSA-N 428.552 4.775 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(C)CCCO2)C1 1690690133 RVKHIJNXCJYXPT-KKSFZXQISA-N 437.371 4.602 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(O)CCCCC1 1705604523 NXOIPQPTRQSTGH-LJQANCHMSA-N 445.007 4.843 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(C)C)C1 1705696981 RRANNKGLTVNDSJ-SJBKTWHCSA-N 439.560 4.707 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCNC(=O)OC(C)(C)C)CC1 1705765240 DKNFVYICNNHQTN-UHFFFAOYSA-N 425.577 4.579 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1705792890 FPMIXAUFYRUVHC-UHFFFAOYSA-N 429.490 4.920 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCCO[C@H](C)C1)c1ccccc1 1705797711 AWYDHEHMWQYBEW-WIYYLYMNSA-N 437.613 4.609 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1Cc1ccc(OC2CCCC2)nc1 1705846685 OWATXFNAWDHGEC-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1ccncc1Cl)C1CC1 1705850535 XELWKLYLXLRXRL-UHFFFAOYSA-N 444.764 4.959 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1c(C)noc1C 1705856697 BQKCSTRQLLAZDA-QGZVFWFLSA-N 446.555 4.883 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1705860470 IORNOQRSJXQHMZ-NHCUHLMSSA-N 434.632 4.661 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CCC)C1 1705862850 XURIQAZTTQYZLI-HXUWFJFHSA-N 437.563 4.910 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1Cc1ccc(OC)cc1C(F)(F)F 1705875423 RLZBWRFAWDMRDO-UHFFFAOYSA-N 443.473 4.518 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](OCC)C1 1705941875 ZIDNTTLJZUMUMP-KRWDZBQOSA-N 437.009 4.532 30 10 IJEE Cc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)sc1C 1706991664 DNXPNFSNSKIJBJ-AWEZNQCLSA-N 428.993 4.577 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cc(C(C)(C)C)no1 1722276734 JSQVHDCXSOHDML-MJGOQNOKSA-N 435.572 4.827 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C1CCCCC1)N(C)C 1722278630 QDELZMSOIHOKFE-CNNODRBYSA-N 441.595 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCCc1nc(C)cs1 1722280694 XVJHCYDLDDQHJK-MRXNPFEDSA-N 445.539 4.792 30 10 IJEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1722319708 PGLMKBRPIMNSFZ-RBUKOAKNSA-N 427.618 4.549 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(CC)Cc1c[nH]c2ccccc12 1722462040 HZQGYLIWWSSCRJ-UHFFFAOYSA-N 435.622 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)C[C@H](C)C1 1722503698 XNALWCOWZJINSU-QANWUKQVSA-N 430.637 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(CCC)CCc1cccs1 1722507970 QOWZULCIBXNASW-UGKGYDQZSA-N 439.629 4.785 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722585840 KWPLLFRRXVPPMK-UUOWRZLLSA-N 445.007 4.975 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 1722593892 CBSJJDYWUURSNY-OALUTQOASA-N 449.521 4.555 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCS1 1722632450 UWYIKEJQVNKDKF-GOSISDBHSA-N 425.371 4.755 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1CCCOC(F)(F)F 1722660254 QQFTZFYDADKVKK-GOSISDBHSA-N 442.457 4.778 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ccsc1 1726999864 AQKANVBUWHHFBJ-INIZCTEOSA-N 441.004 4.753 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)c1cccs1 1740659037 IKRGCHZRHOLLQV-TZIWHRDSSA-N 438.641 4.699 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1740788510 VLRWAIJAYCDKNY-LEWJYISDSA-N 445.007 4.975 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](C)C1 1740789138 GPQCINXNGOLLTI-AWEZNQCLSA-N 427.401 4.786 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccnc(OC(F)F)c2)CC1 1740819263 KGEFEYNYBKKOKQ-UHFFFAOYSA-N 431.874 4.800 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCSC2)CC1 1740830024 SIEKYKXQUXDQCM-MOPGFXCFSA-N 447.649 4.650 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2)C1 1740849176 AKFKPVCQJZPNEV-JOCHJYFZSA-N 437.632 4.544 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1740861535 QHENGTDJPUUCDL-XMMPIXPASA-N 430.600 4.797 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740870372 FUOHUXDJMABMED-FCHUYYIVSA-N 437.632 4.917 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CSCCS1 1740892732 LYMAGOQJBWKXOF-FQEVSTJZSA-N 439.654 4.823 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1cccc(F)c1)C1CC1 1740913751 SPIYFBNHNALWOP-MTNREXPMSA-N 442.579 4.958 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@H]1CCCN(C(C)C)C1 1740920882 XJVRKCFOUKTEJE-NRFANRHFSA-N 425.596 4.683 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccco1 1740927511 IEHOSOUSIUWSMU-DEOSSOPVSA-N 438.597 4.955 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCOC1CCCCC1 1748666965 KXHBIZCSUUOPBA-LJQANCHMSA-N 433.556 4.797 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1748736828 SEEFOTFUYBZAQG-VXKWHMMOSA-N 436.600 4.580 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1cccc(C)n1 1748937290 FOOVTXPFTFUWCV-UHFFFAOYSA-N 431.584 4.560 30 10 IJEE C#CCSCCn1c(N2CCc3cc(OCC(C)(C)F)ccc3C2)nnc1C(C)(C)C 1749048036 HAGWKDNMTPIAQB-UHFFFAOYSA-N 444.620 4.632 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)CC1CC(F)C1 1749119188 OPZKKMJFZRJICJ-IRBVFMDPSA-N 426.580 4.986 30 10 IJEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1749195069 FWBGQBJSIRYLSZ-GOSISDBHSA-N 433.394 4.783 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](CCC)C1 1749255713 HQVVPDDWKMFQOZ-AWEZNQCLSA-N 443.748 4.605 30 10 IJEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[C@H](OC)C(CC)CC)CC1 1749303410 JUHPURDCFHPABO-NZQKXSOJSA-N 440.588 4.788 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1749418104 XCVPRIQZSYPQJF-XHDOVSQSSA-N 444.004 4.895 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1[C@H]1C[C@H](c2ccccc2C)C1 1749579331 MBGUWNYUVHTIEN-MXVIHJGJSA-N 447.608 4.875 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(OC(C)C)c1 1749608221 UILSJBODPGEMLK-UHFFFAOYSA-N 444.377 4.656 30 10 IJEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1760144779 BAWDMXPLWFCDLI-LPHOPBHVSA-N 431.378 4.545 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOc1ccccc1C 1760173301 QJHUWLDVCHBTCA-SFHVURJKSA-N 434.609 4.978 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1[C@@H]1C[C@H]1C(C)C 1760295381 RZAQVQKTESDFAM-WZOHSFFVSA-N 441.620 4.602 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1760315179 AZBROMJMLLCWQS-LZJOCLMNSA-N 444.576 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)Cc1cc(C)cs1 1760319438 NFUSECWXWGSYLF-GCJKJVERSA-N 438.597 4.941 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCC(C)(C)C)CC1 1760436084 HJRWYWZJFWNWNF-UHFFFAOYSA-N 434.632 4.961 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1Cc1cscc1C 1760480420 UTBYHZDWZGATQX-NRFANRHFSA-N 433.581 4.655 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCN(c3ncccn3)CC2)n1C/C=C\CC 1760481070 MMLBHVQISZWAKF-UITAMQMPSA-N 443.599 4.611 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760498210 JBUBWSCZSPSVGT-NBGIEHNGSA-N 427.637 4.914 30 10 IJEE CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)C1 1768359784 FUDAAYDVAVSUDG-RBUKOAKNSA-N 431.556 4.972 30 10 IJEE N#Cc1c(NC(=O)COc2ccc(NC(=O)c3ccccc3F)cc2)sc2c1CCC2 1860140410 LIBBIJBWKKVYDC-UHFFFAOYSA-N 435.480 4.517 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)N[C@H](c2ccccc2)c2nc3ccccc3[nH]2)c1C 1860304958 HCGYITUFTYRLHU-RUZDIDTESA-N 427.552 4.791 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)c1 1860707038 UTFCOJMMLXFRPI-UHFFFAOYSA-N 435.483 4.669 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1c(Cl)cccc1Cl)c1cccc(Cl)c1 1862451453 GLXZYSSGUARERS-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2c(F)cccc2Cl)cc1 1862481206 ZHFVKUHIJAAFFQ-NRFANRHFSA-N 436.870 4.961 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCC2)ccc1O 1862495069 KOHOBWVYYLFQMS-HSZRJFAPSA-N 435.520 4.929 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1862568521 QLZWYGKZLLBRFX-XMMPIXPASA-N 442.515 4.835 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1862568762 XOFUXLRLXJAFMT-DEOSSOPVSA-N 442.515 4.835 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1862583399 AFMLDPVSFSKACQ-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OC)c(OC)c1 1862596315 LWBYEOGJJVZRLP-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(O)c(OC)c1 1862718251 WUMDSCSVDNANRR-WNSKOXEYSA-N 431.488 4.931 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CC(C)C)c1 1862746114 YZNZNKKWKPRLMB-NRFANRHFSA-N 438.480 4.618 30 10 IJEE COc1ccccc1NC1=C(c2ccc(Cl)cc2)C(=O)N(c2ccccc2C#N)C1=O 1862805482 WMMHRUNJOGZSTE-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CC)c1ccc(Cl)cc1 1868835827 WCHVDLQWMYMLSV-DHIUTWEWSA-N 442.962 4.901 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCC)CCCC)nn1C(C)(C)C 1870007324 WILFNNHXRSOOPE-UHFFFAOYSA-N 443.592 4.632 30 10 IJEE CCOc1cn(Cc2ccccc2F)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870238711 MYKRDWOPSACWET-UHFFFAOYSA-N 437.540 4.919 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCCCC)cn1CCCCC 1870419830 SOZDIIWKZAUFSB-UHFFFAOYSA-N 432.605 4.715 30 10 IJEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1ccc(C)c(Cl)c1 1871022522 QVWUXVPOUCDGKX-UHFFFAOYSA-N 444.959 4.863 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871412024 UEMVZAOLJASAIM-NXUSMQHESA-N 433.460 4.927 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871462572 VNYCVAIBHMUDIY-UCQKPKSFSA-N 448.446 4.751 30 10 IJEE CCCCCCCCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871587948 JBOWQDMYDIHONU-LJQANCHMSA-N 435.620 4.949 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1872448925 VKCIKNJXYDNQOZ-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2cc(C)ccc2OCC(C)C)[nH]1 1873470092 XZBSLPXNUSGPFZ-UHFFFAOYSA-N 428.540 4.922 30 10 IJEE N#Cc1cccc(NC(=O)c2ccc3c(=O)n(-c4cccc(C(F)(F)F)c4)cnc3c2)c1 1873866401 GDGURHLWDJMPJU-UHFFFAOYSA-N 434.377 4.528 30 10 IJEE C=C(C)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(O)cc1O 1874243513 KCXVNRMDXMXFTC-DHRITJCHSA-N 438.597 4.999 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(OC)c1OC 1874254570 IZDOPHNGIHPSPU-ZMOGYAJESA-N 440.569 4.794 30 10 IJEE Fc1ccc(CSc2nnc(CCCOc3ccccc3)n2/N=C/c2ccncc2)cc1 1874316083 AIVAKLOTECGZLQ-WPWMEQJKSA-N 447.539 4.998 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(OC)c(O)c1 1874327776 GGTPMFALDAXYOO-YDZHTSKRSA-N 426.542 4.572 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3ccccc3C)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874335426 PEZXJOPODWGLKT-RVWJGDDESA-N 447.608 4.794 30 10 IJEE COc1ccccc1/C=N/n1c(CC(C)(C)C)nnc1SCc1ccc([N+](=O)[O-])cc1 1874438663 MLMSKQSLNYPNHA-OEAKJJBVSA-N 439.541 4.958 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1C 1874476071 BUSUFTVTFJIDDJ-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874477930 KZVOHVXDCPGIAJ-WSDLNYQXSA-N 429.477 4.548 30 10 IJEE COCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(Br)ccc1F 1874499053 JEFGIKKBDXYAIE-LSHDLFTRSA-N 449.349 4.809 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCCc3ccccc3)nnc2C2CC2)ccc1Cl 1874521211 HKOQJBJRTWILPJ-LPYMAVHISA-N 427.917 4.934 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2/N=C/c2ccc(C(F)(F)F)cc2)c(C)c1 1874541310 UQFITCULTYOEMM-KIBLKLHPSA-N 433.459 4.527 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(OC)c1OCC(=O)OCCC 1874619576 HUGCYIZLNNLOKG-ZHACJKMWSA-N 438.520 4.969 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](C)O[C@@H](C)C1 1874640097 BBHOBBJLGWRTAX-MZLICYQSSA-N 441.616 4.582 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(CCc3ccc(Cl)cc3)nnc2s1 1874769454 HZOFAZKLWHOQNS-UHFFFAOYSA-N 434.009 4.991 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCCc3ccc(F)cc3)ncnc21 1875228064 XRYRQHINPQIWMB-UHFFFAOYSA-N 443.526 4.683 30 10 IJEE C=C(F)CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1883384980 RWHXPKITDZYXLC-HXUWFJFHSA-N 429.513 4.973 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983972471 WHTAEVBBZJATPU-QYZOEREBSA-N 429.479 4.698 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 1989962666 FQBUHRDXPWZDFP-KGLIPLIRSA-N 435.487 4.714 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C1(C)C 2005339038 HSSBDMORAMKNAD-VFNWGFHPSA-N 436.557 4.757 30 10 IJEE C[C@]1(C2CC2)CSC(=Nc2ccc(I)c(Br)c2)N1 2029955075 SKMBGMAGHQRIMJ-CYBMUJFWSA-N 437.144 4.546 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 2054428479 PBNPQJPOESUNOZ-INIZCTEOSA-N 446.320 4.603 30 10 IJEE CC[C@@H]1[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@@]1(C#N)NC1CC1 2058747922 XWHZWUYLFKPNBB-PKTNWEFCSA-N 430.640 4.824 30 10 IJEE CCOc1ccc([C@H](C2CCC2)n2nc(CC)c(C#N)c2I)cc1 2080077594 HBJCQPAYRSMTCV-SFHVURJKSA-N 435.309 4.710 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1F 2089284628 VYOJWQFCFBGRAH-ZWKOTPCHSA-N 427.358 4.936 30 10 IJEE CC[C@H]1CN(c2cc(Br)cc(F)c2C#N)CC[C@H]1NC(=O)OC(C)(C)C 2118195496 WNGHEMHZTMHWIW-BLLLJJGKSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ccc(C#N)c(Br)c2)cs1 2124691876 DVXDMTMQUHXYOY-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)C1 2139854117 WWHCBHHKPVNICB-CYBMUJFWSA-N 426.330 4.589 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2cc(F)c(Br)c(F)c2)C1 2142174314 KBKGLISKFOPPSK-INIZCTEOSA-N 431.321 4.849 30 10 IJEE O=C(C1=Cc2ccccc2C1)c1ccc(Br)cc1I 2142280134 ZJBJQVDXBMFNCH-UHFFFAOYSA-N 425.063 4.876 30 10 IJEE C=C([C@@H](NCCC)[C@H](O)c1cc(Br)c(Br)s1)C(F)(F)F 2147311639 GQJGXGUKSDBJTH-NXEZZACHSA-N 437.119 4.793 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2174766079 UGVRSLAPUFTOCL-QEJZJMRPSA-N 438.341 4.684 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCN(c3cc(Br)c(C#N)cc3F)CC[C@H]2C1 2174810859 RAQMSMAIUGIJHC-OKILXGFUSA-N 438.341 4.543 30 10 IJEE N[C@H]1CC[C@@H](C#Cc2sc(Br)c(Br)c2Br)C1 2212190040 RRFPVKUMSSSIHJ-BQBZGAKWSA-N 427.987 4.515 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)c(C)c1Br 2229402599 OHGDWSZDLKHURN-AWEZNQCLSA-N 445.423 4.945 30 10 IJEE O[C@H](C#Cc1cccc(Cl)c1)c1ccc(I)c(Br)c1 2231079892 NNZFPFNVAPFRAO-OAHLLOKOSA-N 447.497 4.792 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235719007 MZVBSQRNBMDGPP-MOPGFXCFSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2235729067 MHRMETZYEMEWFH-UXHICEINSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](O)C#Cc3ccccc3Br)CCC[C@H]12 2235742057 WOLQRIHBAYBOKM-NNMXDRDESA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](O)(C#Cc2ccccc2Br)CC12CCCC2 2235746925 ZZFBDDQFWLYAPK-JOCHJYFZSA-N 434.374 4.875 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@@H](N)C#Cc2cccc(Br)c2)s1 2278725944 RPXGUMVZGYUCRQ-HNNXBMFYSA-N 436.375 4.564 30 10 IJEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@@]3(O)C=CCO)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 2294931045 RCOWGILQXUPXEW-CLPQFWGYSA-N 447.619 4.932 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@H](N)C#Cc1cccc(Br)c1)C1CCCCC1 2296219769 RGNYQYJYAXLXRE-UXHICEINSA-N 435.406 4.992 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2296298584 LPXRXVYTVHKAPC-XUVXKRRUSA-N 435.406 4.862 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 2314477668 KKLLWFYTUVSHIY-NRFANRHFSA-N 445.346 4.533 30 10 IJEE C[C@H]1[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317346780 MWQUMYAGTROANL-VRLUQSRJSA-N 430.354 4.503 30 10 IJEE COc1ccc2ccccc2c1C=Nn1cnnc1SCC(=O)Nc1c(C)cccc1C 2321278416 FDFCSANNCXHMPR-UHFFFAOYSA-N 445.548 4.670 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nncn1N=Cc1ccc(Cl)cc1Cl 2321278593 WAGRJGBVCMFNEW-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE Cn1c(C=Nn2c(SCc3ccc(C(C)(C)C)cc3)nncc2=O)cc2ccccc21 2321647878 VHPJLQDQMVRRSY-UHFFFAOYSA-N 431.565 4.602 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cc(Cl)cc4c1OCOC4)C3=O)CN(CC(C)C)CO2 2322356837 YUZMNQIMBMFIDE-UHFFFAOYSA-N 441.911 4.939 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OCC(=O)N[C@@H](C)c2ccccc2)c1 2322659457 VZELLBWSTOYHJD-IBGZPJMESA-N 445.515 4.856 30 10 IJEE Cc1c(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc2c1OC(=Cc1ccccn1)C2=O 2323597977 UGNDCRJJDCLTJZ-UHFFFAOYSA-N 428.400 4.533 30 10 IJEE COc1cccc(C=C2Oc3c(CN4CCc5ccccc5C4)c(O)cc(C)c3C2=O)c1 2324116009 SPXJYDXDFBEBND-UHFFFAOYSA-N 427.500 4.884 30 10 IJEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)ccc1O 2325480189 MWVCGXKGKRJXIA-UHFFFAOYSA-N 430.533 4.758 30 10 IJEE COc1ccc(OCC(=O)Oc2cc(C=CC(=O)c3ccc(F)cc3)ccc2OC)cc1 2325751055 XYWJFJZKWYZFNR-UHFFFAOYSA-N 436.435 4.723 30 10 IJEE CCOc1cccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)c1OC 2326569949 ROKRUMFNBKKWOA-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2327549111 UTLDHDFXUUUVLV-UHFFFAOYSA-N 442.928 4.759 30 10 IJEE Cc1cccc(CSc2nnc([C@@H]3CC(=O)N(C(C)(C)C)C3)n2N=Cc2ccccc2)c1 2327822730 QTDAWZAXSJVSPV-OAQYLSRUSA-N 447.608 4.875 30 10 IJEE CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328920776 SNBBDKUTZVPWIY-UHFFFAOYSA-N 429.933 4.846 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(C)cc2)n1N=Cc1ccccc1Cl 2330045447 GJLLTZVNJZSHHR-UHFFFAOYSA-N 442.972 4.758 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330632756 MFPLJRNEZLRSGJ-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330824345 NVKFONOLCFDJDA-UHFFFAOYSA-N 443.504 4.794 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)cc2)c1C 2331030208 HPGKAHHYMOIQLX-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCCO)nnc2C2CCCC2)cc1OCC 2331100754 BCWHAOHMHAWAJI-UHFFFAOYSA-N 446.617 4.870 30 10 IJEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2331453926 ZZVSVYVSFBYCKX-UHFFFAOYSA-N 439.541 4.882 30 10 IJEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)c1ccc(Br)s1 2337474089 ALWGLEVKDSCPFK-UHFFFAOYSA-N 426.185 4.693 30 10 IJEE N#Cc1c(F)cccc1OCc1cc(I)ccc1Br 2341781395 YAJMNAPZBIWQJM-UHFFFAOYSA-N 432.030 4.643 30 10 IJEE C[C@@H]1CC(C#N)(Cc2ccc(I)c(Br)c2)C[C@@H](C)O1 2349877640 HJSJHOOJEBNOEY-GHMZBOCLSA-N 434.115 4.694 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](Nc1cc(Br)cc(F)c1C#N)[C@H]2F 2358244162 LTMBOEWYBBYDKX-KLWIRTJPSA-N 442.304 4.750 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@]1(C)NC(=O)OC(C)(C)C 2360197191 HLJQUYQEHODPBW-IPJJNNNSSA-N 435.406 4.862 30 10 IJEE CCOC(=O)c1ccc(/N=C2\S/C(=C\c3cc(OC)ccc3OC)C(=O)N2CC)cc1 12466583 JUSSMLVVQFHWKU-YKQZMZHDSA-N 440.521 4.504 30 10 IJEE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(N/N=C/c4ccccc4)n3)c2)C1 33960076 VZLGRQSLXBAXGQ-QIWJOQEQSA-N 440.594 4.677 30 10 IJEE CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1cccc(C#N)c1 35766210 FUCSXQZXUHSUBJ-UHFFFAOYSA-N 444.535 4.667 30 10 IJEE C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1ccc(OCC)c(OC)c1 39898636 NHKWOWBCLCNROC-QFIPXVFZSA-N 439.899 4.574 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(O)c(OCC)c1 40101022 MFKYQWZRIUOVBW-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 41585573 LWHPVJAZPDGHRY-XYGWBWBKSA-N 444.506 4.778 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(F)cc2)C4=O)cc1OC 41652503 MRPHMRIOWIGGRP-MYKKPKGFSA-N 447.462 4.811 30 10 IJEE CCCCCCn1c2ccccc2c2nnc(N/N=C/c3ccc(OC)c([N+](=O)[O-])c3)nc21 64981205 LWKKEHUNQKVTFG-BUVRLJJBSA-N 447.499 4.923 30 10 IJEE C=C(C)COc1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1 66062926 GTOGJCMAJYOMBQ-UHFFFAOYSA-N 443.547 4.964 30 10 IJEE CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O 95793760 BKHHWOXTKOCMTN-UHFFFAOYSA-N 426.616 4.557 30 10 IJEE CCOC(=O)/C=C1/CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1=O 146640776 RAOJUCCEQKKMBR-XDOYNYLZSA-N 425.528 4.743 30 10 IJEE in-vitro CCOc1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(C)C 169903090 XGOQEIGWDJTJNY-SSDVNMTOSA-N 445.368 4.739 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 169929655 VMDWTOJEQRQMBJ-HSZRJFAPSA-N 445.446 4.552 30 10 IJEE CCCCCCOc1c(OC)cc([C@@H]2NC(=S)N(CC)C(C)=C2C(C)=O)cc1[N+](=O)[O-] 169933455 IWZDLXREUREMOP-FQEVSTJZSA-N 449.573 4.677 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccc(C)c2)c1 169966306 RGRUYJNRQSYODB-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccc(F)cc2)s1 170064141 JYANJZGFOHTVHD-GOSISDBHSA-N 444.434 4.960 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)[C@H]1c1cccc(O)c1 170080916 RGOWNPFCWDSZGW-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(C)c2)cc1 170142073 OSEPICUPPZPDBT-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccs1 170167017 KVBQIVBTRJLKLC-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccncc1 170203792 GTADHLXQCRHREL-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccncc1 170204773 MRRYKWUCSDTPQF-XMMPIXPASA-N 440.499 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccc2)cc1OC 170227727 OXOWXRPWHDUFOQ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 170236919 YQTDEYIVOHYTEO-NRFANRHFSA-N 439.895 4.632 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc(O)c1 170263981 FTRJRJQABPMZDN-XMMPIXPASA-N 449.547 4.664 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2C)cc1C(C)C 170273559 IOQFJSMJAGSOCT-NTKDMRAZSA-N 449.547 4.884 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(C)o2)c(OC)c1 170300326 FZFKWLWHNRYVIN-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(C)o2)cc1OC 170308163 MPAGYSRXMUSKOM-OAQYLSRUSA-N 425.481 4.516 30 10 IJEE Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccc(N(C)C)cc3)sc2c1 170447103 IXYWAKYUKDMAJJ-HXUWFJFHSA-N 435.549 4.796 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccc(OC(C)C)c(C#N)c1 435390479 BEBAWBDDYIRMPV-UHFFFAOYSA-N 431.521 4.766 30 10 IJEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(c2cccc(OC)c2)CC1 460543999 CZVSQGRWSILGIS-UHFFFAOYSA-N 441.535 4.607 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 465377877 RJKRPKDBKLAJLE-GFCCVEGCSA-N 427.979 4.802 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)NCc1nc2cc(Br)ccc2n1CC 479157101 XZKFYNKRNAEZJL-UHFFFAOYSA-N 445.336 4.856 30 10 IJEE COc1ccc(-c2csc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)cc1OC 511811857 SZTMOKJBOOGTTL-UHFFFAOYSA-N 425.485 4.754 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 521083019 NXXDKYZZVOENEV-DEOSSOPVSA-N 448.544 4.574 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)c1nc(C(=O)OCC)cs1 524105562 KRDOMDITDOVIAR-CHWSQXEVSA-N 425.337 4.949 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)c1OC 526491571 VUXHPRQWALSDOW-HSZRJFAPSA-N 426.472 4.941 30 10 IJEE CCOc1cc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526519315 AYBPXMFDAMTLDP-QHCPKHFHSA-N 430.435 4.859 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccccc1F 526826823 JSXVZFZLHYPLEV-OYKKKHCWSA-N 426.517 4.721 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 543224719 FUSDOEHXMXDTSR-UHFFFAOYSA-N 427.533 4.531 30 10 IJEE C=CCN(CC=C)C(=O)Nc1cccc(OC(=O)Cc2ccc(Br)cc2)c1 586524907 FASGVGKWXUGRAK-UHFFFAOYSA-N 429.314 4.803 30 10 IJEE COc1c(Br)cc(CNCc2ccc(C#N)cc2F)cc1Br 609239757 YYTUKWHOVASPMV-UHFFFAOYSA-N 428.099 4.521 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(Br)c(F)c1 685534143 UYJBSOCFTGWMDO-IBGZPJMESA-N 442.336 4.693 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C)CN(C(=O)OC(C)(C)C)C1 698444792 SRLBGCCILVHXKA-XDHUDOTRSA-N 445.560 4.976 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1Cl 733202375 QVAVHCGKVKMXHX-LJQANCHMSA-N 425.941 4.632 30 10 IJEE C#CCN(C(=O)N[C@@H](C)CCc1ccc(C)o1)[C@@H]1CCOc2ccc(Br)cc21 743671839 FECZQLKNOBJWLO-MGPUTAFESA-N 445.357 4.840 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)n(C2CCCC2)c1C 775269696 IFUWJDJCXAVCLN-SFHVURJKSA-N 447.583 4.508 30 10 IJEE N#CCOc1ccc(CC(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1 794909614 FOKUVPXUFWYSRQ-XMMPIXPASA-N 434.923 4.859 30 10 IJEE C=CCn1c(-c2ccoc2)nnc1N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 800776058 XSQCVGGRGJYIIJ-UHFFFAOYSA-N 426.520 4.879 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1cn2ccccc2n1 804453588 FWTCPJHHUYNZJF-NRFANRHFSA-N 425.557 4.991 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)cc1 810161067 DMDGGJQVPGAGGG-SFHVURJKSA-N 437.849 4.691 30 10 IJEE Fc1ccc(-c2nnc(CSc3n[nH]c(NN=Cc4cccc5ccccc45)n3)o2)cc1 1084656574 FGVXJJQDARKBBY-UHFFFAOYSA-N 445.483 4.885 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cscc1C#N)c1ccc2c(c1)OCCO2 1124368845 WTAATEJRNUCDAB-UHFFFAOYSA-N 432.501 4.803 30 10 IJEE C#CCN1CCC(C(=O)N(CC)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)CC1 1126173674 CZGGLNORHGZAIO-UHFFFAOYSA-N 432.608 4.885 30 10 IJEE C#CCN(C(=O)c1ccc(OC2CCC2)cc1)[C@H]1CCOc2ccc(Br)cc21 1126230411 WOBZVPORUQCLIU-NRFANRHFSA-N 440.337 4.980 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)s1 1128933960 LMQZFCGETIPJGI-SWLSCSKDSA-N 425.834 4.881 30 10 IJEE C#C[C@H](NC(=O)c1cnc(SC)n1-c1ccc(F)cc1)c1ccc(Br)cc1 1129729893 AFIDOMHMQUBLOP-KRWDZBQOSA-N 444.329 4.600 30 10 IJEE C#C[C@H](NC(=O)c1csc(-c2ccc(F)c(F)c2)n1)c1ccc(Br)cc1 1129731867 ZVLJDMJONBNELT-INIZCTEOSA-N 433.277 4.955 30 10 IJEE N#C[C@@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)c1c(Cl)cccc1Cl 1144003045 FQJVPVAVGBHSOP-CYBMUJFWSA-N 443.212 4.606 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@](C)(CC)C2)c1 1150735212 WVNHSGRHRBDHAH-HSZRJFAPSA-N 447.000 4.984 30 10 IJEE C=CCN1CC[C@H](Sc2nc3ccccc3c(=O)n2-c2ccc(CCCC)cc2)C1=O 1164671225 DVEOUFFGJPPRAW-QFIPXVFZSA-N 433.577 4.607 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)C[C@H](O)c2cccs2)cc1OC 1178374556 SLEDZDCATNEPPY-CJNGLKHVSA-N 426.376 4.686 30 10 IJEE C=CCn1c(SCc2cc3c(cc2Cl)OCCO3)nnc1-c1cccc(OC)c1 1188899276 MNFTXQGELBPAQO-UHFFFAOYSA-N 429.929 4.857 30 10 IJEE CCS(=O)(=O)N(C)c1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 1197961856 DLAVHSVYFJNDLK-HSZRJFAPSA-N 448.548 4.772 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(N3CCC(OC)CC3)c(C(F)(F)F)c2)CCOCC1 1215107119 VTVVENVWSISBTO-UHFFFAOYSA-N 441.494 4.567 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1220729394 RGORKNXXKHWCFC-AREMUKBSSA-N 446.522 4.972 30 10 IJEE C=CC[C@H]1CCCN(C(=O)NCCSCCOc2cccc(Br)c2)C1 1221994237 OONNJLAFZFLZEH-INIZCTEOSA-N 427.408 4.559 30 10 IJEE C=CCC[C@@H](NC(=O)N1C[C@@H](C(N)=O)[C@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1224642966 ROFKRJOUCQKYPL-PWRODBHTSA-N 445.485 4.623 30 10 IJEE C#C[C@@H](NC(=O)[C@@]12CCCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1275497408 BPOTYISELATKNQ-SELNLUPBSA-N 434.939 4.839 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 1275698757 JQAATWCJPLWPNP-XZOQPEGZSA-N 436.621 4.803 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1278997304 BXZHAGHWKCVMHM-AUSIDOKSSA-N 426.582 4.767 30 10 IJEE C#CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1OC 1286361007 XYISEZYCJTXMHM-QGZVFWFLSA-N 432.862 4.541 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(N(C)C)cc1 1286365682 GUGSWTLWHWLZDL-UHFFFAOYSA-N 433.625 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC1(C)C 1286549743 BHOGKVCDLMYNKY-WFXMLNOXSA-N 428.552 4.917 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1286560123 BXDMFIGVGUIATG-QYWGDWMGSA-N 427.499 4.730 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(OC(C)C)CC1 1286560873 JXKLMICCERGBJS-XMSQKQJNSA-N 445.007 4.974 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1286602909 DVMSHNFSXSFVDI-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCOC(C)C)CC1 1286657014 YTCODVSHFHGEOO-UHFFFAOYSA-N 425.396 4.597 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1286657102 SWQBAXWJSLYZJC-SIKLNZKXSA-N 438.563 4.548 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1286673156 PIKPLCPLRAIZDV-OAQYLSRUSA-N 426.580 4.863 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(NC(C)C)CC1 1286693855 CSGPNEJZCJAJSA-UHFFFAOYSA-N 432.410 4.641 30 10 IJEE C=CCCOCCn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1C(F)(F)F 1286711524 PDHHUDMLTALBNE-UHFFFAOYSA-N 433.478 4.532 30 10 IJEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCSC2(CCCCC2)C1 1286714023 KHSKBHOERCBHEU-UHFFFAOYSA-N 440.657 4.912 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(=C)CC1)C(C)C 1286752096 WXKHGCQNBQYLFH-XMMPIXPASA-N 430.600 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCC[C@@H]1CC 1286755275 SDQHJHVWPBBVQP-NRFANRHFSA-N 432.616 4.880 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1Br 1286779474 RZQRKNZOWNAZTK-SJLPKXTDSA-N 433.394 4.782 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1300371171 OEJZZPWCPUSYRQ-OAQYLSRUSA-N 443.636 4.650 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCc1ccc(Cl)s1 1300548639 MZJATMDMXBRUDU-UHFFFAOYSA-N 438.984 4.504 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)(C)C)CC1 1300878066 ZRVVWTGLMGWVEZ-FYYLOGMGSA-N 449.599 4.582 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccsc1 1300897534 SFMDYYMCICBUCU-PGRDOPGGSA-N 442.560 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1300901636 PTVTYABZFFUTJC-OFNKIYASSA-N 430.980 4.729 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1301145704 DXGBUUOKXPIZEJ-QFIPXVFZSA-N 432.616 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1301153788 DBONFDACKFVDGZ-UHFFFAOYSA-N 433.556 4.621 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301159789 GIRMHJQWPYUPGP-UGKGYDQZSA-N 426.605 4.883 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1CC(F)(F)C1 1301175581 FAHYTZQGDJGAHC-UHFFFAOYSA-N 442.352 4.884 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301232320 XWRSATSUBDATDZ-JOCHJYFZSA-N 434.588 4.687 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1301257600 BPUQJGDBIODULG-JOCHJYFZSA-N 439.648 4.560 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC1CCC(OC)CC1)C1CC1 1301331188 GMZGDDFYVQMMKC-UHFFFAOYSA-N 430.980 4.871 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCSC(C)C 1301390532 JNUDTWPCXBJFBK-UHFFFAOYSA-N 449.665 4.713 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2CCC[C@H]21 1301601167 MZFQJNIOJXEGFS-QWHCGFSZSA-N 425.421 4.677 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)[C@H](C)C1CCC1 1301602908 YXTFYVVGGNMYJY-QGZVFWFLSA-N 428.602 4.650 30 10 IJEE C#CCN(CC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1)C(=O)OC(C)(C)C 1306225112 DGKNLNYAKJQJHX-UHFFFAOYSA-N 437.521 4.897 30 10 IJEE C#Cc1ccc(NC(=O)N(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)cc1 1311302956 XNWVJAAQDLPJCL-LJQANCHMSA-N 443.341 4.652 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 1312000074 IDCURQXGDULEEG-VWLOTQADSA-N 445.604 4.724 30 10 IJEE CS[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1316374151 BZVZYPFUEVZNIT-KRWDZBQOSA-N 437.569 4.518 30 10 IJEE Cc1ccc(C2=NO[C@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 1351075636 HPASGQUXHLTGET-VWLOTQADSA-N 425.488 4.772 30 10 IJEE C#CC[C@]1(C(=O)Oc2cccc(-c3nc(C)cs3)c2)CCCN1C(=O)OC(C)(C)C 1352300543 QNBMIUSHQYLZIC-HSZRJFAPSA-N 426.538 4.817 30 10 IJEE C#CCOc1ccc(C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cc1 1352838082 OWEWHCKXJSQZRP-TWGQIWQCSA-N 425.484 4.830 30 10 IJEE C=CCCC[C@H](C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 1357381513 NUTCXRDDPPBOEN-WATLYSKOSA-N 434.580 4.692 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CCCN1C(=O)OC(C)(C)C 1358397108 ACBXIEJTXIWSGQ-NRFANRHFSA-N 446.960 4.590 30 10 IJEE C#CCCCCn1c(N2CC[C@H](c3ccccc3)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1358917624 WCSOTTGNYJBCMX-JJTGBXKASA-N 436.600 4.505 30 10 IJEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1358931212 SGTWGBXELAYAKF-IBGZPJMESA-N 434.506 4.877 30 10 IJEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 1359051364 URBYDENVZIGHBR-UHFFFAOYSA-N 433.606 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCCCC1 1359064025 JKUOXHMVBHQVBB-YIXXDRMTSA-N 449.643 4.903 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H]1N(C)CCCC1(C)C 1359066047 LUWGVYDOTMJXED-HYBUGGRVSA-N 426.008 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCO[C@H]1CCCC[C@@H]1C 1359067385 LKJUGXDRCNUPCF-WCAVRKLYSA-N 427.980 4.581 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359118774 BXVMIFCBBGKXRR-AWEZNQCLSA-N 425.396 4.597 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1359145141 GZTXCICSQZBNLZ-KRWDZBQOSA-N 449.983 4.682 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](c2ccco2)C1 1359224213 KCWMFCHZHBFKLU-KRWDZBQOSA-N 442.947 4.787 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@H](C)[C@H]2C)cc1 1359307823 WCJASIPIWJSUAM-RTBURBONSA-N 435.597 4.592 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(Br)cc1 1436650937 HUCOSWVZNFQCAB-SFHVURJKSA-N 439.334 4.867 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C 1436687828 NNBOJCKVWOSXEE-NRFANRHFSA-N 438.568 4.850 30 10 IJEE CC1CCN([C@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C(C)C)CC1 1441339299 HJLNBSFRBJDESR-HSZRJFAPSA-N 445.051 4.691 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)c1c[nH]c2cc(F)ccc12 1442975543 ZXFYIBIJVAEFMT-UHFFFAOYSA-N 433.252 4.606 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2sc(C(=O)OC)cc2c1 1456791573 UUISHNQYMCXCLG-UHFFFAOYSA-N 433.489 4.691 30 10 IJEE O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccn(-c2cc(F)cc(F)c2)n1 1458402305 CGOCBPFCKJCUER-INIZCTEOSA-N 447.310 4.785 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 1460738030 XPCBGKCABMFVFW-SFHVURJKSA-N 426.742 4.515 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1c(Cl)ccc(S(=O)(=O)CC)c1Cl 1460844556 QZFVRMHAWUAUSX-OAHLLOKOSA-N 426.365 4.704 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1464361265 ROJSJEYZSDVMTN-FPOVZHCZSA-N 430.589 4.883 30 10 IJEE COCCN(Cc1ccc(C)c(C)c1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1465165972 HEPKKSOXFHEXPH-UHFFFAOYSA-N 434.565 4.903 30 10 IJEE N#Cc1cc(NC(=O)NCc2cccc(N3CCCC3=O)c2)ccc1Oc1ccccc1 1466273010 FFVKRVYXYYCADQ-UHFFFAOYSA-N 426.476 4.799 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)C1 1466684236 OZTPVZRGLHQSAE-IBGZPJMESA-N 427.570 4.924 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)c(Cl)c1 1467401050 CAFFAQYZUHTLCE-FQEVSTJZSA-N 439.943 4.595 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 1467635468 YUOPYPPRECOUSJ-KRWDZBQOSA-N 439.364 4.975 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 1467799107 WIMJKLBZDBEQSH-QGZVFWFLSA-N 444.318 4.998 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccc(CNC(C)=O)cc1)c1ccc(C(F)(F)F)cc1 1469491166 JYUGQIZHDMTEBG-NRFANRHFSA-N 433.474 4.848 30 10 IJEE C=CC[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 1470100515 ZQLJVDBZKRDKSY-HKUYNNGSSA-N 448.405 4.559 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(COc2ccccc2)cs1 1470721013 YZGJTNBPCOKQGD-GOSISDBHSA-N 431.558 4.910 30 10 IJEE C#CCN(C(=O)c1ccc(OCCCCC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881840 FNPTTZOBYXGINA-UHFFFAOYSA-N 428.573 4.731 30 10 IJEE C=CCC1(O)CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CC1 1471935682 BSXUSZSJKYYCCQ-UHFFFAOYSA-N 434.305 4.924 30 10 IJEE CCOC(=O)N[C@H](C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(C)C 1472581308 AXOFCBPVYULNQC-LBPRGKRZSA-N 432.336 4.685 30 10 IJEE C#Cc1cccc(N(CC(=O)NCc2cccc(COC(C)C)c2)Cc2ccccc2)c1 1473273950 QNCBAFBHRLWMEO-UHFFFAOYSA-N 426.560 4.916 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c1 1476103816 IBOSSMIJVGSPMB-HXUWFJFHSA-N 427.932 4.721 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H](CC2CCCCC2)c2ccccc2)C1 1477726410 BNIUUNDBOKRRER-FDFHNCONSA-N 440.588 4.756 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1477864681 XQFDUHFXAOVGHF-FQEVSTJZSA-N 431.577 4.524 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(OC)c(Cl)cc2C1)c1ccc(Br)cc1 1478897349 XYNGGRFMNUHZJV-SFHVURJKSA-N 433.733 4.553 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 1478966230 VNZMHSUWVBHHBN-QTPAZIJBSA-N 445.579 4.963 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2ccco2)C1)C(C)C 1502584619 HJLZXTCKCUQWBU-FGZHOGPDSA-N 433.556 4.855 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507526087 KUIUKEHMTGBMRV-APWZRJJASA-N 445.995 4.606 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)C1 1507557666 ZXIFHVVEODCQOP-CQSZACIVSA-N 437.382 4.592 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@H](C(C)(C)C)C1 1507576930 NVASCWILUAIRNV-DYESRHJHSA-N 426.630 4.796 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1csc(-c2ccco2)n1 1507642846 NKOLFMGXLMHVBX-NRFANRHFSA-N 441.560 4.658 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC12CCOCC2 1507816603 GDYONOFDDNFTQO-SFHVURJKSA-N 445.405 4.927 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)c2cccs2)CC1 1507880891 LFMRFLIVSWIRJG-UZUQRXQVSA-N 442.560 4.683 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(OC(C)C)nc2)CC1 1507899324 BEIZTNFJBFUMLC-UHFFFAOYSA-N 433.556 4.587 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C/C=C\CC)CC1 1507903132 JHRDQADTEYEKOX-ZTBDEIDFSA-N 429.609 4.761 30 10 IJEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1507949073 XZYMOFSJULUKDH-FYYLOGMGSA-N 429.653 4.619 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1)C1CC1 1507996152 DFAZMPCONGHAON-LJQANCHMSA-N 425.596 4.673 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1Cc1cccnc1OCC 1507999748 QLPGVVUSNJMVOS-UHFFFAOYSA-N 442.567 4.842 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507999992 SVEKQJOREFARPO-UKILVPOCSA-N 433.600 4.746 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCOC[C@H]1OC 1508015307 QRFNUNGZIATHAR-VQTJNVASSA-N 442.629 4.505 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1508164120 YTOFTPVYQCXZFW-JWRCQZCYSA-N 434.675 4.721 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cn(C)nc2-c2cc(F)ccc2F)cc1 1517878654 KPMBTDHIMYATRO-UHFFFAOYSA-N 425.435 4.627 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OC 1521760844 DOQVWFKIJHQPGA-XYELWLDHSA-N 444.572 4.569 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C 1527079154 KIRCNUJEGLGTLX-FCHUYYIVSA-N 425.573 4.937 30 10 IJEE C#CC[C@@]1(C(=O)O[C@H](C)c2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1527986990 AGZRCOXXTKINLA-VFNWGFHPSA-N 441.446 4.982 30 10 IJEE C#CC[C@@]1(C(=O)OCc2cncc(-c3ccsc3)c2)CCCN1C(=O)OC(C)(C)C 1534109975 WYQZBZIYVRMVLP-QHCPKHFHSA-N 426.538 4.646 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(OC)cc3c(OC)ccnc23)CCCN1C(=O)OC(C)(C)C 1536960873 QNYCAQJPZXTIFS-DEOSSOPVSA-N 441.528 4.536 30 10 IJEE C#CCOc1ccc(C(=O)NC[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 1537859464 DAECVKYCVGPYQI-OAQYLSRUSA-N 441.453 4.577 30 10 IJEE C=CC[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1 1538190589 FUDXKIOBVKYSBB-KRWDZBQOSA-N 446.327 4.857 30 10 IJEE CC[C@@H](C#N)N(CC)C(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 1538447405 HFSROWWPHNEFMS-JTQLQIEISA-N 429.183 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1cnn(C)c1 1538987941 YBJYBYQKYMWKFP-QGZVFWFLSA-N 448.571 4.637 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C(C)(C)C)cc1 1539005856 AJXSLDCRJZTBFG-UHFFFAOYSA-N 434.496 4.786 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1539035079 LZULCCDQPCULCZ-CSODHUTKSA-N 433.021 4.743 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539049961 WGPVDYIPZAMQLD-CJAUYULYSA-N 438.572 4.543 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 1539094981 YGZXAODFRCLSFR-FQEVSTJZSA-N 441.595 4.529 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](OCCC)CC1 1539104127 DAWIZGPQGWIQGK-LJQANCHMSA-N 430.980 4.806 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@H](C)C1CCC1 1539607976 RSWXTFMNNOXPCM-OAHLLOKOSA-N 437.357 4.920 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cnn(C)c1 1539620911 OFEYSTLCSVWCJN-FYYLOGMGSA-N 448.615 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1 1539636530 LBGRQXBTGZUHOI-RRPUWOKSSA-N 444.620 4.567 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2ccc(F)cn2)CC1 1539690711 FXYGBUKIYKFZQI-UHFFFAOYSA-N 447.345 4.689 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1540168685 TXIXZSKYNPAHKW-WXFUMESZSA-N 436.600 4.827 30 10 IJEE CN(C)[C@@H](CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)Cc1ccccc1 1540449069 GHAZSXRTHCIYDI-HXUWFJFHSA-N 433.939 4.907 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@](C)(CC)C1 1540855511 XTNAQGHWRUBHDZ-GOSISDBHSA-N 425.758 4.552 30 10 IJEE CC(C)N(CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)C(C)C 1541616005 BPABVWVUTXORID-UHFFFAOYSA-N 429.012 4.847 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)[nH]n1 1542099743 BPTNSIHNVYCFIR-JOCHJYFZSA-N 430.508 4.530 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](c2ccccc2Cl)N(C)C)o1 1542292631 CDDFMODEUWQRAP-KXBFYZLASA-N 426.952 4.541 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F 1546100965 OVEDHQLYEIUGIJ-IAGOWNOFSA-N 430.467 4.664 30 10 IJEE CCN1CCCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)C[C@@H](C)C#N 1547679703 ADOWSIBIQMYBTP-YUXAGFNASA-N 438.620 4.505 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(F)cc1Br 1556475754 BLVUFQPKZKEYOK-KRWDZBQOSA-N 443.357 4.796 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn12 1563079893 HISAVEKQVWXEOI-UHFFFAOYSA-N 434.471 4.836 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OC)cc1Br)c1ccc(Cl)cc1F 1564469593 XETXKTMCDFTHLU-VOJFVSQTSA-N 439.712 4.985 30 10 IJEE C=CC[C@H]1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1 1564793453 PKQZUMIOZGGCTQ-CZTZKLFOSA-N 445.579 4.774 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1564913743 STCZRYUUEBOSTE-VWNXMTODSA-N 434.584 4.726 30 10 IJEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccsc1)N(CC)CC 1587958112 PEXZEOZDEFPDPP-QHCPKHFHSA-N 444.608 4.707 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)Cc1cccs1 1588265896 JVKULFBSQKRMDD-QZTJIDSGSA-N 426.561 4.957 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1589381287 AEHNSSWSJLRXOW-IYBDPMFKSA-N 441.377 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C)CC1 1589568881 NAAKTDRILKIRRX-GCJKJVERSA-N 430.980 4.728 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1593666799 ZLFUUXVANAULTG-LSDHHAIUSA-N 437.407 4.526 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1594504386 QKPQNNBHIIWBQL-UHFFFAOYSA-N 444.627 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(COC)CC1 1594521788 SCUKDXVBQJZRIE-UHFFFAOYSA-N 437.588 4.584 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1594635715 YVMIBBKLQYKRKN-SFHVURJKSA-N 444.004 4.913 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1595037751 KHXRCXZKVGNXPX-SFHVURJKSA-N 433.522 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccccc1)N(C)C 1595165497 ITPNZQJQXTUCMH-FCHUYYIVSA-N 437.613 4.687 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2N(C)CCCC2(C)C)C1 1595706880 QTCMFYVOWMYZRB-RXVVDRJESA-N 444.023 4.500 30 10 IJEE CC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1597372778 DFDFXUSGHPWCDG-QFIPXVFZSA-N 449.555 4.726 30 10 IJEE COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(OC)c(C#N)c2)c1 1597517268 BZRBAUDTFNWILI-UHFFFAOYSA-N 438.487 4.740 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1 1597567555 RLGJVYFXKPTYNW-HXUWFJFHSA-N 447.556 4.593 30 10 IJEE C=CCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CCC2 1597688910 MDOBLMRMHPKAGK-OBGWFSINSA-N 445.950 4.797 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)Cc3ccc(Cl)cc3Cl)n[nH]2)c1C 1610984881 XEVKOBYVOGDVKI-LBPRGKRZSA-N 432.355 4.744 30 10 IJEE Cc1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](CC(C)C)N(C)C)c2ccccc2n1 1611934972 CNRZRGXJZJBGGX-NRFANRHFSA-N 445.615 4.518 30 10 IJEE C=CCn1c(SCc2cnc(Br)c(C)c2)nnc1-c1ccccc1OC 1613215706 SZJOXPXUDZHFLP-UHFFFAOYSA-N 431.359 4.898 30 10 IJEE C[C@H](NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 1625326879 BPHUPDMJEZBUFO-KKSFZXQISA-N 433.508 4.618 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(CC)c2ccccc2)cc1 1633883751 LRUSCJPQQLSZHY-QHCPKHFHSA-N 435.568 4.768 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 1634163708 LVCYESGNRAEIDJ-UHFFFAOYSA-N 428.533 4.502 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 1637449015 CCBCKCFFMKBQEJ-LJQANCHMSA-N 442.485 4.745 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(-c4ccccc4)nn3CC(C)C)n[nH]2)c1C 1638328021 BICLBHRIBRFPMQ-UHFFFAOYSA-N 443.555 4.848 30 10 IJEE C#CC[C@@H]1CCN(C(=O)[C@H](CCC)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1641288613 WEPFMXDHONILPM-IBVKSMDESA-N 444.575 4.908 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1642059832 SEEGPEATCOCFHJ-AWEZNQCLSA-N 442.812 4.636 30 10 IJEE CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 1642758766 CPYFEBQZNDKHDV-JTHBVZDNSA-N 441.959 4.919 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1644462931 UNGDAGRIZYNFDW-JOCHJYFZSA-N 441.531 4.758 30 10 IJEE C#C[C@@H](Nc1nc(CN2CCCCC2)nc2sc(C(=O)OCC)c(C)c12)c1ccccc1 1651179633 IZKNFQHYDLVOAK-LJQANCHMSA-N 448.592 4.949 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC(c3ccccc3C(=O)OC(C)(C)C)CC2)cc1 1653346195 YCIJUYNYAKMOFN-UHFFFAOYSA-N 432.564 4.831 30 10 IJEE N#Cc1cc(Br)cc(Br)c1OCc1nc(-c2ccsc2)no1 1656918336 DWCBBGXEGLJWOJ-UHFFFAOYSA-N 441.104 4.774 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 1658899379 OVGQKVQHHJQDDA-UHFFFAOYSA-N 441.572 4.534 30 10 IJEE COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C 1659837423 HYFLILAOZJMNON-HXUWFJFHSA-N 434.561 4.697 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1 1660701845 VXNHGDVGUAGOQL-OAQYLSRUSA-N 439.556 4.899 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O)c1ccc(F)c(F)c1 1661498146 FKGLFQPPHPOAFB-JOCHJYFZSA-N 448.535 4.595 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)cc1C(F)(F)F 1661872642 ADTMUQMHUWYTCU-HXUWFJFHSA-N 444.478 4.882 30 10 IJEE C#CCn1ccc(CN(CC)Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)n1 1664538904 ULNXLYGFKIKSKY-UHFFFAOYSA-N 440.389 4.610 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1ccc(F)cc1 1665946164 SDDONZCEFPAKKN-GOTSBHOMSA-N 433.552 4.660 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(OC)cc2)c1 1666473242 MQHDETHQXNKLMZ-QFIPXVFZSA-N 435.524 4.502 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)CCOCC1 1666756514 BRZKCXRGRIWZDM-IYBDPMFKSA-N 441.494 4.566 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 1668388908 AOQCJBRKTFJRJJ-VWLOTQADSA-N 437.540 4.767 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1 1668469114 XPZOZNBANKHLLZ-UHFFFAOYSA-N 425.381 4.623 30 10 IJEE C#CCN(C(=O)Nc1cc(F)cc(OC)c1)[C@H]1CCOc2ccc(Br)cc21 1669397320 WJTNUFOKRKYNKQ-SFHVURJKSA-N 433.277 4.588 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccc(F)c(F)c1 1671851576 GNJVBHFMGWXMRF-RTBURBONSA-N 444.400 4.904 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] 1672209963 MDCWYKAUSQMLSP-UHFFFAOYSA-N 434.290 4.979 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1cccnc1)C1CCCC1)c1ccc(Br)cc1 1674030379 FIRUIJODNGFZJB-SFTDATJTSA-N 426.358 4.619 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)CC1 1678373706 BHBRGWRLUCRCTB-OAQYLSRUSA-N 434.422 4.596 30 10 IJEE C#CC[C@@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 1679190900 NPTTUAYYXLZXFH-LJQANCHMSA-N 435.877 4.955 30 10 IJEE C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1680302307 FJLLKTRVTGBJKR-OAHLLOKOSA-N 444.348 4.980 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@@H](C)C1 1689832303 ZVJBLXYLGZBEJH-LNLFQRSKSA-N 435.597 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1689847351 XXCCOCSFRGCMMY-DNVCBOLYSA-N 431.437 4.728 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@@H](C)[C@@H](F)C1 1689918355 ZSPNAXMSHOJREQ-WBMJQRKESA-N 425.733 4.569 30 10 IJEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1690478970 PQXZRNXEOIJXFD-IBGZPJMESA-N 437.613 4.865 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)c1ccsc1 1690516197 BFSLDOZWMJCJJF-RUZDIDTESA-N 447.608 4.944 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1705511952 KYKCMLVNDBUOHE-UHFFFAOYSA-N 433.865 4.851 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705527953 QAXOFQMGRKIJCS-VQTJNVASSA-N 434.540 4.534 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1705531775 WGEUDBRYSRJABU-LJQANCHMSA-N 446.599 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(Cl)s1 1705600547 CJCUTNIULPPBNQ-UHFFFAOYSA-N 433.968 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1)C1CC1 1705710051 HNNKSLYHBWXMNO-NRFANRHFSA-N 430.556 4.522 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](C)C1 1705789048 WZAKUBUGOQMWBT-GOSISDBHSA-N 430.618 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705794861 WIPFCBYMHVUJSK-OAQYLSRUSA-N 448.615 4.885 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1C(C)(C)C)c1ccccc1 1705798398 RBWYIKWUWPNOCU-UNIVCBNLSA-N 438.616 4.710 30 10 IJEE C=CCCOCCn1c(N2CCS[C@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1705832749 GZKUMGXYSKSNQF-QFIPXVFZSA-N 440.657 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705838927 HUYFRXALSOSFRP-IBGZPJMESA-N 448.571 4.515 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1705887414 FRJIHSPLZOVILX-ZBFHGGJFSA-N 445.386 4.922 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CCOC)Cc1ccco1 1709240535 FHEAXUXUYFKMAO-IFMALSPDSA-N 433.556 4.889 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](CC=C)c1ccccc1 1722276395 DRUIOXIENVUAHP-SJLPKXTDSA-N 438.373 4.854 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCC(F)F 1722311248 UIOCTMOEYPOQSP-UHFFFAOYSA-N 429.284 4.742 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCc1cccc(C)n1 1722407982 VQNCSQWGJABAPJ-LJQANCHMSA-N 437.975 4.867 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)Oc1ccc(Cl)cc1 1722415938 GCYNQXXMIYXQHK-IOMROCGXSA-N 445.007 4.777 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1722561995 HEURMOCJMLJLEF-TZIWHRDSSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722586277 ASLCCROYXCVPNU-WOJBJXKFSA-N 434.632 4.958 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCC[C@H](n2cc(C)cn2)C1)c1ccccc1 1722597080 QDNXSHKKRAHHGT-GOTSBHOMSA-N 434.588 4.521 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC1(CCOCC)CCC1 1722634983 KYCRXJBFIHHMFF-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1Cc1ccnc(OC2CCCCC2)c1 1722639937 VXLGMNAZYHGWHR-UHFFFAOYSA-N 435.547 4.785 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1csc([C@@H](C)OC)n1 1722655583 ODJOTLHTADBLHU-QGZVFWFLSA-N 436.585 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCc1ncc(CC)s1 1722662883 NHSRJRRZEGFCER-UHFFFAOYSA-N 438.626 4.799 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1722677790 FMOAIFMTRZTSIX-GGAORHGYSA-N 438.616 4.863 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CCC1(C)CC1 1722678941 IOVRNYWWPHCLNN-UHFFFAOYSA-N 437.357 4.676 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cc(C)ccc1F 1722685680 ITZYBIUBVZQWFK-SFHVURJKSA-N 443.567 4.663 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722691368 UGNHBWCVRLSRQD-IIDMSEBBSA-N 437.009 4.676 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](CC(C)C)C1 1722708359 QRBPPOOIGXSRKH-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2[C@@H]2C[C@H]2C(C)C)C1 1722716171 TXHMVNCGOACKIY-GBESFXJTSA-N 431.378 4.706 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCC2(F)F)C1 1722720992 QYPMRIQXXBBBRP-TZIWHRDSSA-N 446.542 4.506 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H]1CCOC1 1722736217 XYGDITAOEHDMHK-AWEZNQCLSA-N 435.018 4.958 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCSC(F)(F)F 1723975337 BLGXMTCGDNAJBN-OLZOCXBDSA-N 431.459 4.549 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(OC)cc1 1740540691 YBHWAHVVUUUDST-SFHVURJKSA-N 434.609 4.985 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@H]1C 1740575406 NTFVLJWNQWMMGV-VQTJNVASSA-N 443.636 4.821 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](CN(C)CCC)C1 1740582839 RZQXEBJMOGGSHH-PMACEKPBSA-N 439.673 4.713 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740596724 DSNSTRHHIMDUSS-FCHUYYIVSA-N 438.641 4.935 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](SC)C(C)(C)C 1740631189 ILTXTMSFOXGEPP-YLJYHZDGSA-N 445.032 4.922 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1740670220 JQNPOTYQHUMAAC-UHFFFAOYSA-N 447.558 4.622 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1740757737 XGIREHKLRXUPAV-MONBJTKQSA-N 425.964 4.710 30 10 IJEE C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1740782708 MIOSSVUMASOWQI-ZSEKCTLFSA-N 433.915 4.513 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1740787094 ACBKJULOAAKEBG-GOSISDBHSA-N 446.567 4.544 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)CC[C@@H]1C 1740789392 KMEZGCIQAYELJL-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC(CC(F)(F)F)CC1 1740793106 DTHLUATZMVCXEA-UHFFFAOYSA-N 436.522 4.939 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(Cc2ccsc2)CC1 1740859368 JZDGNDLFMLPINZ-UHFFFAOYSA-N 437.613 4.694 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC1CCC(F)(F)CC1 1740919742 QIZVNBCIJNBAOJ-UHFFFAOYSA-N 449.521 4.574 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCC(C(F)(F)F)CC1 1741127544 DKENVEQFJCUCAP-HPUBIQBYSA-N 449.477 4.638 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC2CC(OC(C)(C)C)C2)c1 1742349282 DLAPCNGBNHIMQV-VRKFHHGPSA-N 439.604 4.888 30 10 IJEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@@H]2CC)o1 1745324260 FLOOCTYTMVMJNJ-PXNSSMCTSA-N 448.571 4.651 30 10 IJEE CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)c1ccco1 1746080944 DEYPQWVFXGNPFY-DVECYGJZSA-N 426.609 4.673 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1748701328 GSOATEWEUNIWDI-YOEHRIQHSA-N 426.870 4.558 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)CC1CCC1 1749134462 ZABZXROYBZHPPO-JPYJTQIMSA-N 430.543 4.755 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1ccccc1OC 1749450606 MZYRCIVXMJXTFD-IFMALSPDSA-N 426.605 4.850 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CC1CCN(C(=O)OC)CC1 1749549229 SIQODONUFUYNON-QGZVFWFLSA-N 431.606 4.524 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nc(C)cs1 1749592067 AZFLHVRNJCFZDN-HNNXBMFYSA-N 443.642 4.583 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC[C@@H](C)C1 1760107634 VZGKHPDTLCOOAC-MOPGFXCFSA-N 444.023 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCC(C)(C)COC 1760298094 VUXJXQUSLXXBQV-XMMPIXPASA-N 445.007 4.955 30 10 IJEE C=C(Cn1c(N2CCC(C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1760365479 ZKKGBQZEAVSXEV-SANMLTNESA-N 438.616 4.905 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC=C(Br)C1 1760366868 KOUKVQQUGPZNKK-CYBMUJFWSA-N 441.732 4.799 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCCN2CC)CC1 1760405602 YUJSCCLIRCKFHH-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C 1760488359 SPCFYXNTJFQNFE-GMAHTHKFSA-N 436.648 4.911 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(OCC(F)(F)F)c2)C1 1760534801 GMCVPKBTSWGWCS-APWZRJJASA-N 438.494 4.562 30 10 IJEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCN2CCCC[C@@H]2C)o1 1761738280 GDQZDEJOUOWSRM-IBGZPJMESA-N 432.572 4.619 30 10 IJEE CCCCCCOC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1858698081 ICORJFJNPUJZLB-UHFFFAOYSA-N 442.541 4.650 30 10 IJEE CCCC[C@@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)C(=O)O 1858944655 LDGSVJVIROCJKW-OAQYLSRUSA-N 445.475 4.696 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)C1CCN(Cc2cccc(F)c2)CC1 1861178392 LJEVDKDROHQQJB-NRFANRHFSA-N 447.639 4.799 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccccc2Cl)=C(O)C(=O)N1CCCCN(C)C 1862429944 YGDPRWPRSXONRY-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1 1862431011 XIDZINRVTFYVEX-OAQYLSRUSA-N 444.934 4.789 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862463867 YDPARWAEWWTQNZ-OAQYLSRUSA-N 446.469 4.937 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)cc2)cc1 1862515693 ULJKNRZEAUAJSD-XMMPIXPASA-N 442.515 4.957 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)CC)[C@H]2c2ccc(C(=O)O)cc2)cc1 1862519542 MQNQTODHYAWXAH-VFNWGFHPSA-N 437.492 4.550 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1Br 1862553775 YGXUVJMTDUTDOQ-HXUWFJFHSA-N 440.337 4.926 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862556781 DXWGTJLXRMHCPN-QHCPKHFHSA-N 432.520 4.746 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862561523 VTEZCPJUGODQNS-QHCPKHFHSA-N 427.504 4.566 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862591123 DJJVNOIFAURDNI-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccccc3C#N)C2=O)c(C)c1 1862953992 WNPPVTLODLVGLU-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3Cl)C2=O)cc1 1863068578 PXMTUPRVOZSWHO-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1ccco1 1864459638 HGVFWDODGXCNPH-FQEVSTJZSA-N 428.577 4.620 30 10 IJEE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccccc3C#N)nc(C)n2)cc1C 1868490295 CXHIVGICFLGGPM-OAQYLSRUSA-N 427.508 4.569 30 10 IJEE Cc1cccc(C)c1OCCCC(=O)Nc1c(C#N)nnn1Cc1ccc(C(C)C)cc1 1870105665 CSCMWQSXOZARCV-UHFFFAOYSA-N 431.540 4.736 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2C)cn1Cc1ccc(OC)cc1 1870630796 IPJDYVKPKPPJKC-UHFFFAOYSA-N 444.575 4.967 30 10 IJEE Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2nc3ccccc3[nH]2)C4)o1 1871347179 FBZKDWZUKNPRKQ-FBHDLOMBSA-N 427.460 4.741 30 10 IJEE COc1cccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)c1 1871411520 IOQONKIKKFTJCH-SGMWPGOQSA-N 445.471 4.726 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871433722 OWHOVGHUDMGXIS-FPJJECCMSA-N 440.492 4.739 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccccc1F)C2=O 1871442084 YPVRSMGWWQHWAP-QRVIBDJDSA-N 445.446 4.970 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1871781435 ZVGAQRDGTDJLNR-ZDUSSCGKSA-N 445.343 4.727 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccccc1 1872298076 OLFHNUCQJILHGH-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cc(C)ccc1C 1872434683 USVRCJDPWACLTE-HXUWFJFHSA-N 434.989 4.859 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(OC)c1OC 1872766495 HDZZXMAHACIJFW-OAHLLOKOSA-N 428.897 4.979 30 10 IJEE Cc1c(C(=O)[C@@H](C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872777194 IJTSWTOLGOLNKG-OAHLLOKOSA-N 447.432 4.906 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1Cl 1872785531 PBOTYMMEDJGPBQ-CQSZACIVSA-N 427.869 4.799 30 10 IJEE CCCCCCCCNC(=O)c1ccc2nc(CCc3nc4ccccc4[nH]c3=O)[nH]c2c1 1872807866 IVSXIXYPBUOMEC-UHFFFAOYSA-N 445.567 4.675 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(CCCOC)C1=O 1873110954 LLBSXPZHPCYSQQ-UHFFFAOYSA-N 436.543 4.812 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCO)n2/N=C/c2cccc3ccccc23)c1 1874248241 PFMRMLVJZWYMHD-NLRVBDNBSA-N 446.576 4.718 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874284606 OWLFLIQIQZKUNX-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE CCCSc1nnc(Cc2ccc(OCC)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874304291 QWDAUKXESZWEAE-PXLXIMEGSA-N 425.514 4.560 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2)ccc1O 1874417010 TYCCZZDFLUGZOX-BUVRLJJBSA-N 445.504 4.657 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1cccs1)Nc1ccc(F)cc1 1874420783 DTTGZKLCBNASSQ-SRZZPIQSSA-N 443.554 4.820 30 10 IJEE Cc1ccccc1CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc(Cl)ccc1O 1874442490 DBNXRHFFNYNOCV-DOUQRPAJSA-N 428.945 4.972 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874477134 KQRYSMQWHMQUMM-FYJGNVAPSA-N 440.485 4.612 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2sccc2C)cc1C 1874517678 GIIFSEYYRPGTJO-SSDVNMTOSA-N 425.583 4.755 30 10 IJEE OCCCSc1nnc(C2CC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874520583 PBQKWCGROLRWIO-ZVHZXABRSA-N 442.972 4.745 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C)n1/N=C/c1ccccc1OC(C)C 1874530190 WFNDGUWRGOQSNN-ZVHZXABRSA-N 437.569 4.549 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1nccs1 1874613300 NICKDULZXYMRAV-FNORWQNLSA-N 428.897 4.719 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2C)cc(Br)c1OCC(=O)OC 1874617549 HGAOJOGUUXAYSR-VQHVLOKHSA-N 447.325 4.913 30 10 IJEE CN(CC1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1)c1ncccc1C#N 1891294717 RYRBJXWWSJBGFA-UHFFFAOYSA-N 438.575 4.727 30 10 IJEE C=C(I)COc1c(F)cc(Br)cc1CNC(C)(C)C 1895095628 RSTFACCQNNTIJP-UHFFFAOYSA-N 442.110 4.804 30 10 IJEE C=C([C@@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[Si](C)(C)C 1922977431 IBCOOMNUJLLFHM-NRFANRHFSA-N 432.681 4.731 30 10 IJEE N#Cc1ccc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)o1 1951726512 CBSLTTVHZDTAME-QFIPXVFZSA-N 430.460 4.986 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCC(C#N)CC1 1984689786 BENSTZZGPDETCZ-ZPHNUYGRSA-N 445.563 4.748 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(C)(C)C)CN(CCCB2OC(C)(C)C(C)(C)O2)C1 2046173015 WKJPPNVSNOVAHT-RTBURBONSA-N 438.462 4.978 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)C12CCC2 2076645319 AGYUNOORPVINJJ-UUOWRZLLSA-N 449.592 4.618 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1C 2079021828 AKCDTRCIDPBYPJ-JURJYWISSA-N 445.251 4.850 30 10 IJEE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C#N)c1I 2080054577 RWCHMWKAPKRDGW-GFCCVEGCSA-N 431.224 4.619 30 10 IJEE CC[C@H](C)[C@@H]1CSC(=Nc2ccc(I)cc2Br)N1 2081320265 WMIFHTOGRVSSME-UFBFGSQYSA-N 439.160 4.792 30 10 IJEE C#CCN1CC[C@@H](NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2083721514 XNVHRYYRJFHETL-AREMUKBSSA-N 426.560 4.642 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c(F)c1F 2102878673 BHOSNLKGRMHQCB-WMLDXEAASA-N 431.321 4.685 30 10 IJEE C=CCC1(Nc2cc(Cl)c(Br)cc2[N+](=O)[O-])CN(C(=O)OC(C)(C)C)C1 2106014815 CITPWKXSFGXXNK-UHFFFAOYSA-N 446.729 4.988 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2124519139 GQPIKHUNYFNTCL-DZFIZOCASA-N 442.365 4.506 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2154841043 WHAYIDSMFSVVOW-VWLOTQADSA-N 448.460 4.779 30 10 IJEE C=CCC1(NC(=O)c2cc(Br)ccc2F)CCN(C(=O)OC(C)(C)C)CC1 2174761331 OVAIVOWSMTTYDD-UHFFFAOYSA-N 441.341 4.664 30 10 IJEE CCN(c1ncc(Br)cc1C#N)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2174809282 YFDMFXWEGUEIQH-WMLDXEAASA-N 437.382 4.626 30 10 IJEE CCN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2174811211 VGKMMQRIFDAIMP-HUUCEWRRSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CC(=O)Nc2ccc(Br)c(C#N)c2)C1 2180911832 GOKTZTPJWMTTOJ-ZIAGYGMSSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181143735 LONBOKCWKGFFQP-GDBMZVCRSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2c(Br)sc3ccccc23)[C@@H](C#N)C1 2224676955 HNAYRDVMEQAXBA-ZDUSSCGKSA-N 436.375 4.609 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@H]21 2235722219 JXONNZVBGPUSFD-UHOSZYNNSA-N 432.358 4.938 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C 2235726147 XJGFCPALGWOIKA-JKSUJKDBSA-N 449.311 4.624 30 10 IJEE CC1(C)OB(c2sccc2C(=O)Nc2ccccc2OCc2ccccc2)OC1(C)C 2255645918 KRWHEGHXZKNQRM-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2ccc(Br)c(OC)c2)C1 2266704411 XPAIWRHEFDZDNV-KRWDZBQOSA-N 425.367 4.579 30 10 IJEE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2267121674 ANUFXWIXSPHMMU-HDICACEKSA-N 444.381 4.547 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267572841 ASVQQHCAXQAUPU-ZACQAIPSSA-N 442.365 4.646 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 2267846336 UYLFMHUTBFSYAR-MRVPVSSYSA-N 438.215 4.802 30 10 IJEE C=CCCC1([C@@H](NC)c2cc(Br)nn2C(C)C)CN(C(=O)OC(C)(C)C)C1 2281032069 HDYFCRYVBYWXBX-KRWDZBQOSA-N 441.414 4.690 30 10 IJEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2cc3ccccc3o2)[C@H]1c1ccc(C(C)(C)C)cc1 2296110764 YISNYMCMCVRRRH-HSZRJFAPSA-N 446.547 4.714 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@@H](O)C#Cc2cccc(Br)c2)C12CCC2 2296223128 ZBVNMGDDCVTLJB-YTQUADARSA-N 434.374 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@@H](N)C#Cc2ccc(Br)cc2)(C(C)(C)C)C1 2296273568 PMCXTHVIUHKGJN-PGRDOPGGSA-N 435.406 4.801 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C 2296275429 ZDSQGRHEUDBSAZ-NSISKUIASA-N 435.406 4.957 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C 2296284753 UKSGDZMXMLJDLO-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1C=CCCN1C(=O)OC(C)(C)C 2296295495 DPRLCZYORMHZNG-WOJBJXKFSA-N 433.390 4.734 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296296803 RRLKDXVCGHNMSW-HKUYNNGSSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C12CC(CCN1C(=O)OC(C)(C)C)C2 2296302214 GBJZSLSHHSKEGZ-OZWAEMERSA-N 433.390 4.568 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)C=Cc4ccccc4)ccc3C2=O)cc1 2296867285 GXNNRPFYHCTMKP-UHFFFAOYSA-N 426.424 4.708 30 10 IJEE COc1cc(C=NN=C2SC(=Cc3ccccc3)C(=O)N2Cc2ccco2)ccc1O 2314819401 ZZRWYGJIIRBPEL-UHFFFAOYSA-N 433.489 4.500 30 10 IJEE CCCc1nnc(SCc2cccc(C)c2)n1N=Cc1c(C(=O)O)n(C)c2ccccc12 2321779732 NEFOAISNWZDOHE-UHFFFAOYSA-N 447.564 4.903 30 10 IJEE O=c1c(Br)c(NN=Cc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 2322638154 GLLRLNUALXAZHF-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE Cc1cc(OC(=O)c2cccnc2)cc2c1C(=O)C(=Cc1ccccc1Br)O2 2322807557 DUTOICQRLRIDFB-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2323118175 AOANQPPRQUONOG-UHFFFAOYSA-N 436.847 4.949 30 10 IJEE COC(=O)c1ccc(COc2cc(C=CC(=O)c3ccc(F)c(F)c3)ccc2OC)o1 2323230701 XCAXLGIHJLTDML-UHFFFAOYSA-N 428.387 4.828 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2F)C3=O)cc1OC 2323375028 KUJOJJJZFZBEGR-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3C)cc2)c(OC)c1 2324464590 PBTFUDSZKOQDQO-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1c(Cl)cccc1Cl)C2=O 2325330368 ABYXSEAREZTTPP-GFCCVEGCSA-N 437.275 4.567 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc(OC)cc1 2325941736 BCQOANXFVGRKKE-UHFFFAOYSA-N 431.359 4.634 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2N=Cc2cccs2)cc(C)c1Cl 2326149130 ODGJABXJPADZSB-UHFFFAOYSA-N 436.990 4.546 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cc(OC)ccc1OC 2327543733 KQLVMSSNNBDZCY-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccccc1 2327797926 XUFLUFQDSFAAMZ-UHFFFAOYSA-N 444.560 4.950 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1N=Cc1cccc(O)c1 2328691512 JXGUNUBEKOHUPA-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2329097506 PVIQCBDCFYGDJI-UHFFFAOYSA-N 440.956 4.844 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccc[nH]2)cc1 2330545830 AQKVWOJIFIAQAH-UHFFFAOYSA-N 436.566 4.510 30 10 IJEE CC(C)(C)Cc1nnc(SCc2ccccc2F)n1N=Cc1ccccc1C(=O)O 2330844882 MCGXIUXOJNXEDV-UHFFFAOYSA-N 426.517 4.879 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(F)cc1F 2331329087 XSANHLZDNFGCMM-UHFFFAOYSA-N 431.468 4.982 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(C(=O)OC)cc1 2331337598 LQZRLNHSZDCBOL-UHFFFAOYSA-N 426.517 4.721 30 10 IJEE CCCCc1nnc(SCCC)n1N=Cc1cc(Br)c(O)c(OCC)c1 2331344214 XVQBDCSMAVLROL-UHFFFAOYSA-N 441.395 4.872 30 10 IJEE O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 3214650 ROBRCIVCCTVDLR-CLCOLTQESA-N 427.247 4.699 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2c(F)cccc2Cl)cc1OC 21246124 DLFTUKBCEVQQDB-CABCVRRESA-N 443.902 4.891 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccccc2C)Nc2ccc(C)cc2C)c1C 32973226 NRSMQDCVJIGNHT-UHFFFAOYSA-N 431.584 4.886 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)Cc1cccs1 35765543 QHHBFQLMUGGEAW-UHFFFAOYSA-N 440.540 4.575 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4OC)c3C)C2=O)cc1OC 41285619 VIMICPODEPTBKX-UCQKPKSFSA-N 446.455 4.856 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCCc2ccccc2)CO1 41659373 ORMVIGMYBWOQBJ-IWIPYMOSSA-N 442.471 4.996 30 10 IJEE CSc1ccc(NC(=O)N2CC[C@@]3(C2)Nc2cccnc2N/C3=N\C2CCCC2)cc1 96310040 FLMYJQQITJJISH-QHCPKHFHSA-N 436.585 4.659 30 10 IJEE biogenic CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1 100222028 HPJJUJDTCNHCGZ-JOCHJYFZSA-N 445.604 4.873 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 102525173 HJKONSBHYDJXIJ-LAFOYAEKSA-N 434.319 4.760 30 10 IJEE CCN1C(=S)N[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)c2ccccc2)=C1C 169932066 OBSAFBRZJKXBJF-IBGZPJMESA-N 445.382 4.866 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccncc2)c1 169938370 SEHVPLXATYFMLT-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2OC)c(C)c1 169939918 UFFUNFNGUZLJBY-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)c(C)c2)=C(O)C(=O)N1c1ccc(C#N)cc1 169945725 LADABFWQISXLTM-HSZRJFAPSA-N 442.446 4.797 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2cccs2)s1 169988043 QTVNXVJVPBHTLL-INIZCTEOSA-N 432.473 4.883 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@@H]2c2ccncc2)cc1C 170022662 ZFQKPYPVKPJLPH-OAQYLSRUSA-N 434.879 4.840 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccccc2)cc1 170053308 WCKYGJVSSXCGRE-XMMPIXPASA-N 440.499 4.990 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@@H]1c1ccccc1OC(C)C 170151446 NHOXEZFHMWZFMI-NRFANRHFSA-N 427.472 4.610 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccnc1 170193351 YFPXZYHFJXJTSX-HSZRJFAPSA-N 441.531 4.861 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccncc2)c1 170199536 KBCSPTJPJKIXGI-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccncc2)c1 170202185 GJWXISMZIGTRMJ-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccncc2)c1 170202929 KCFVOLXUYXCOPZ-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccc2)c(OC)c1 170228741 WVSPBDADXOJCDK-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1F 170247279 AIZJKGJMUZWSAO-NRFANRHFSA-N 425.500 4.656 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccco2)c(OC)c1 170286896 FTSFQCHBKPUVIZ-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccco2)cc1Cl 170289003 WXADXCYIALOOON-FQEVSTJZSA-N 439.851 4.739 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccco1 170290525 IPCYPRILWBOTFP-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(O)\C=C/c1ccccc1 254617908 XRKZTMHVSPJICB-DYRFBFPSSA-N 426.428 4.777 30 10 IJEE CC1(C)OB(c2cccc(COc3cc(Br)cc(F)c3F)c2)OC1(C)C 306075103 FPRUANSHZCFHFY-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(Br)c1OC 406112303 SAWJFJKMLJIHGY-ZDUSSCGKSA-N 428.323 4.509 30 10 IJEE N#Cc1ccsc1C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 439863163 XJAOGEPHYBTHQF-UHFFFAOYSA-N 434.452 4.683 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 471215007 GSNZNWOEDAQJEV-MFKMUULPSA-N 427.477 4.507 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C 500100129 CVGQQHVUZQTJQR-DEOSSOPVSA-N 434.588 4.807 30 10 IJEE Cc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 526489646 ALVUQHCRSIHHMK-JOCHJYFZSA-N 427.416 4.538 30 10 IJEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2ccc(O)c(O)c2)cc1 526804923 AJLHQCINHADJDC-QQXSKIMKSA-N 444.560 4.957 30 10 IJEE C=CCn1c(SCc2nnc(C)n2C2CC2)nc2cc(-c3ccccc3)sc2c1=O 540346116 HFZWLEPORHKOKG-UHFFFAOYSA-N 435.578 4.838 30 10 IJEE C=CCN(C(=O)c1ccoc1C1CC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 540604155 GDAOSUBTZOOICG-UHFFFAOYSA-N 428.535 4.517 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(-c2csc(C)n2)cc1 552475603 IZJGAOQPBKSOSY-UHFFFAOYSA-N 445.997 4.664 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)N(CC)CCCC)CC2)c1 585954400 JRHIELFXZHMHKZ-UHFFFAOYSA-N 428.621 4.960 30 10 IJEE CCCOc1c(Br)cc(Br)cc1/C=N/[S@](=O)C(C)(C)C 692030522 HWUNJCUQHBNMMR-HIOHBZOZSA-N 425.186 4.882 30 10 IJEE CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1 732595959 FTDGLIHCZPVHNL-NJDAHSKKSA-N 446.528 4.879 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CCCN1C(=O)OC(C)(C)C 790248437 WKKLKSINPXNOCX-DEOSSOPVSA-N 439.512 4.816 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 790255078 VUBDGAWOIOONRZ-HSZRJFAPSA-N 430.549 4.501 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccsc1 790284566 DQRXPFWOFUKIEP-IBGZPJMESA-N 442.610 4.741 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@H](C)c1ccc(F)cc1 812177259 ARLGGVAEHAFYJW-GOSISDBHSA-N 437.519 4.617 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C1CCCCC1 1125570849 DGPVVNHGTWXOPZ-UHFFFAOYSA-N 448.567 4.960 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1nc(Cl)c(C#N)s1)C1CCCCCC1 1128933056 HWVDDYJXGYHDKV-ZDUSSCGKSA-N 426.970 4.718 30 10 IJEE Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1129202556 FLDQMDUNOFVTOY-UHFFFAOYSA-N 427.302 4.707 30 10 IJEE COc1ccc(C2(CNC(=O)c3ccc(Br)cc3C#N)CCCCC2)cc1 1142152773 GADPSDZSARDNKF-UHFFFAOYSA-N 427.342 4.961 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OC)c2ccccc12 1151201351 MJHIADXJGSKJHD-FQEVSTJZSA-N 426.513 4.815 30 10 IJEE C=CCN(C(=O)c1[nH]c2ccc(F)cc2c1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1154302066 YRRHUSPCWBPYKZ-IBGZPJMESA-N 428.891 4.763 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C)C)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1164489617 RBFLJVXSQWJAIY-GDBMZVCRSA-N 432.659 4.912 30 10 IJEE Cc1cc(C)c(CN2CCN(c3ccc(C#N)cc3F)CC2)c(OCc2ccccc2)n1 1190741890 HRLHYRKBJPXNJW-UHFFFAOYSA-N 430.527 4.610 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1 1200027235 XLBWOSQFAOEZQI-IBGZPJMESA-N 429.586 4.983 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 1205498545 MJMJOIBOSMDMLH-UHFFFAOYSA-N 443.478 4.614 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccccc1OC(F)F 1206194939 UGCMPQNMQWAGAN-UHFFFAOYSA-N 427.245 4.937 30 10 IJEE CCOc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1Br 1216804789 ICSLCZSKPPPVPF-UHFFFAOYSA-N 444.329 4.795 30 10 IJEE C#CC1CCN(C(=O)N[C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)CC1 1222088700 QNZHUNOQYQLHRX-AWEZNQCLSA-N 432.387 4.997 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCOc1ccccc1F 1223728529 CTCKNLYFRBYVCB-UHFFFAOYSA-N 439.300 4.894 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@](C)(O)c1ccccc1Br)c1ccc(F)c(F)c1 1234555669 MPJZATCIGHALTB-QUCCMNQESA-N 439.300 4.551 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1)c1ccccc1 1265300285 GIKWEIZQCXDXDU-ZCYQVOJMSA-N 448.607 4.882 30 10 IJEE C=CCn1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(C(F)(F)F)cc2)CCC3)nn1 1268880266 YJGVNVPPOZDFMP-UHFFFAOYSA-N 446.454 4.516 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(Br)c(C(F)(F)F)cc2F)cc1 1273118171 KSPCJCKQGMAAFP-UHFFFAOYSA-N 430.195 4.549 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)C1CCOCC1 1280094594 BRUSRZWUKRGDPP-FQEVSTJZSA-N 448.346 4.739 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H](C)N1CCCCC1 1286282607 NUCXQPNFRSTGQE-SJORKVTESA-N 434.415 4.974 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1cc(C)on1 1286337580 MWEGGRSMLUGAOX-UHFFFAOYSA-N 432.553 4.723 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)cs1 1286568484 ZSDONAJMWYMGRA-LAUBAEHRSA-N 443.642 4.621 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CCSC 1286672080 GJVYAAQPTPGJNY-PXNSSMCTSA-N 430.618 4.971 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286691373 YNYRXNAYYJNXIU-IBGZPJMESA-N 441.576 4.869 30 10 IJEE C=CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1286733265 WMAIIGJEQKAXLT-SFHVURJKSA-N 425.577 4.603 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCC(C)(C)C1)C1CC1 1286734000 MBWZBIWXTNAGDB-UHFFFAOYSA-N 445.558 4.823 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1CC 1286749945 IYWBWCAIMDDWSB-LJQANCHMSA-N 427.643 4.669 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)CN1CCCCC1 1286751622 RCQQSHQJSRJGBJ-TZIWHRDSSA-N 429.634 4.506 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N(Cc2ccco2)C(C)C)cc1 1286794310 CHEONMJRNMIBAC-UHFFFAOYSA-N 429.524 4.961 30 10 IJEE C=C[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(Cl)c1 1294989417 UJTSMQSNHIVZAB-RNODOKPDSA-N 445.350 4.898 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1295396017 BHXJJMCVCBTBRV-VQIMIIECSA-N 426.590 4.587 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cc(Br)c1N)c1ccc(Cl)cc1 1298925277 YLHKSSLPICVHRQ-CQSZACIVSA-N 442.538 4.552 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccccc1C 1300994051 LRRRVHVUAXZACZ-GOSISDBHSA-N 425.602 4.732 30 10 IJEE C=C(C)COCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]2CCC[C@H]21 1301001814 NOYDUNMTRSREII-WOJBJXKFSA-N 442.629 4.941 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1301086510 KGPUVCRVYLXKPV-MBSDFSHPSA-N 430.543 4.755 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)Cc2cccs2)CC1 1301108631 UOGVCUDUBNLJRA-KRWDZBQOSA-N 429.634 4.539 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(CC)CC)CC1 1301127106 YOTYQQNUEWMFKE-ZEQRLZLVSA-N 437.632 4.658 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2CCN2CCC[C@H](C)C2)CC1 1301134213 FWJMKPGBVCUUKS-NRFANRHFSA-N 437.632 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1301159550 BCDRHPPPJGSHIA-HXUWFJFHSA-N 442.579 4.851 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@@H](F)C1)C1CC1 1301331030 BZNLZODTSJTIDB-NVXWUHKLSA-N 449.368 4.913 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1CC 1301348911 CPULMGZCEKDOFP-UXHICEINSA-N 439.579 4.672 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(C)(F)F)cc2)C1 1301567008 RKBMQSKGNGRIRR-HXUWFJFHSA-N 444.551 4.872 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301612259 WICKOJWWGSAIDU-MRXNPFEDSA-N 428.499 4.706 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCOC[C@@H]2C)cc1 1304437417 GXEPKUQALRGYRV-MZLICYQSSA-N 439.629 4.682 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)cc1 1310132690 VMRAEGIEVRERRQ-GOTSBHOMSA-N 441.597 4.602 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCOc2cccc(Br)c2C1)c1ccc(F)c(F)c1 1312534108 BCVMMHSHACUCGK-IBGZPJMESA-N 437.284 4.949 30 10 IJEE C=CCC1(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CCOCC1 1350339625 IXONWGHTKUVSTJ-OAQYLSRUSA-N 445.028 4.990 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc3c(c2)CCCC3)c(C(=O)OCC)c1C 1352793702 UQZAMZIKPLWSSH-UHFFFAOYSA-N 441.549 4.636 30 10 IJEE CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 1355197994 COACIXPCOLFMHS-SFHVURJKSA-N 441.494 4.779 30 10 IJEE Cc1cc(-c2csc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c(F)cc1F 1355239731 BVLHTXGWGAPCLH-CQSZACIVSA-N 442.466 4.873 30 10 IJEE COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)COc1ccccc1C#N 1356355784 CMMCFZTXYGGGNL-UHFFFAOYSA-N 426.881 4.744 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1358933359 QQKIXTVUTPXNOE-NPHXMPSESA-N 426.992 4.900 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)C1CCC(C)CC1 1359100817 GSVFNVJCOBDGFM-HVZVEDPUSA-N 438.616 4.874 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC(O)(CC)CC 1359109398 ZLAYHBJJVYXWND-UHFFFAOYSA-N 427.412 4.723 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2c(C)nn(C)c2C)CC1 1359162461 RIQYQRAXCQIACC-UHFFFAOYSA-N 448.615 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOCCCC)CC1 1359175171 BNRGMJFUMJSKLL-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC(=O)NC2CC2)CC1 1359175939 GIJRKGYRFRPLGV-UHFFFAOYSA-N 448.398 4.713 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(C)C)C1 1359222235 CMMSQEICRGGOME-INIZCTEOSA-N 436.398 4.501 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCSC[C@H]1C 1359223889 YYCISFUFBCVGIV-IAGOWNOFSA-N 432.659 4.666 30 10 IJEE C=CCN(c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 1359246687 IOYMGYBKTLJOFB-GHTZIAJQSA-N 447.549 4.859 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](OC)C(C)(C)C)C1CC1 1359247466 CRAISPBVKVVZTK-OAHLLOKOSA-N 439.423 4.985 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@H]1OC)C1CC1 1359247740 NLRVUWXFQCSQRL-DZGCQCFKSA-N 437.407 4.739 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1CCCC[C@H]1C)C1CC1 1359252487 SZKGLNCETZRZEX-GOSISDBHSA-N 429.559 4.566 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC(C)CC1 1359263328 YETUPWXKAAQYAI-HXUWFJFHSA-N 438.645 4.658 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)c(C)o1 1360997467 HSQAPRVMXJLHSR-RYUVBPIJSA-N 433.556 4.559 30 10 IJEE C=CCN(C(=O)c1cc(C)cc(C)c1Br)[C@H](Cc1ccccc1)C(=O)OCC 1435901898 WSKJKHGIWOBROC-HXUWFJFHSA-N 444.369 4.869 30 10 IJEE C=C(C)C(C)(C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1440966116 GPFQJUAIPZEXOI-OQLLNIDSSA-N 427.353 4.748 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1sc(SCC(=C)Cl)nc1C 1449309105 HXJMQSYRILLCKU-UHFFFAOYSA-N 426.991 4.529 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CC4(CCCCCC4)[C@@H]3C(C)C)ccc2c1=O 1454822533 MOTRBZBKMDOLDZ-FQEVSTJZSA-N 425.598 4.692 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)cc1 1455330066 CYIJHPALXHULGF-UHFFFAOYSA-N 443.352 4.885 30 10 IJEE C=CCn1c(SCc2ncccc2C(=O)OC)nc2sc(-c3ccccc3)cc2c1=O 1458887283 JYHVZRKYWVDWKQ-UHFFFAOYSA-N 449.557 4.785 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 1460842338 AEHLHNCMJSFDQN-RDGATRHJSA-N 426.516 4.546 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)nc1 1467096881 BYJFXZCMNYQICD-LJQANCHMSA-N 425.261 4.766 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1470786276 HZJMXGIYLBTSDC-HOJAQTOUSA-N 427.593 4.562 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)c1ccccc1 1472274875 CZTRNDGWDGWBCI-PRAQEBQASA-N 428.554 4.801 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)ccc1OC 1474282477 XKBSJDSTGIBUBU-ZJSXRUAMSA-N 438.568 4.930 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1507664204 PMBVHUZNMJCPGC-LADGPHEKSA-N 432.612 4.767 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[C@](C)(CC)O1 1507680917 LOSNIUXVMRMZNR-NQIIRXRSSA-N 431.378 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)COC 1507764609 RTXASECWVMEREA-MZNJEOGPSA-N 426.630 4.796 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ccc(Br)o1 1507833513 YZTJIMWQZAEEGK-UHFFFAOYSA-N 440.345 4.849 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC[C@H](OC)C(F)(F)F)CC1 1507892218 MLBQTFAISHSOJM-IBGZPJMESA-N 438.494 4.543 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC#N)CC1 1507959138 NCFQENMPGPDWRQ-GOSISDBHSA-N 439.629 4.854 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507986045 UFJOLJPVUNPVSK-NHCUHLMSSA-N 439.648 4.897 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCSC1(C)C 1508000748 DIAAITPQQMHNBM-LEWJYISDSA-N 437.613 4.726 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1Cc1cccnc1OCC 1508004364 CXXUGGWAZFNNAO-UHFFFAOYSA-N 444.514 4.514 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CC[C@H](c3ccco3)C2)nnc1C(C)(C)C)C(C)C 1508013177 NFUDNDFQZQKOFF-SFTDATJTSA-N 425.621 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)N1CCC[C@H](C)C1 1508018436 SHOSUWFIEAXELF-SFTDATJTSA-N 446.599 4.899 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(-c2ccsc2)nc1 1508037405 KYZHDSRRBZLHRW-UHFFFAOYSA-N 435.553 4.657 30 10 IJEE C=CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CC1 1508160807 WUXQWAUYFIGPRV-IBGZPJMESA-N 449.665 4.548 30 10 IJEE CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1ccnc(SC)c1 1512832672 DSODONNOGYLTLN-KRWDZBQOSA-N 432.597 4.997 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCSC1)[C@H]1CC[C@H](C)C1 1519126964 FWJMXWYPCLWIDM-VCOUNFBDSA-N 439.629 4.601 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 1521544554 FQKKNLGUPXJSPP-MRXNPFEDSA-N 449.482 4.979 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C 1527079157 KIRCNUJEGLGTLX-YADHBBJMSA-N 425.573 4.937 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)cc1OC 1529789324 BPCAEEGOMCUMGV-IXDOJHRFSA-N 429.557 4.776 30 10 IJEE C=CC[C@]1(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)CCCN1C(=O)OC(C)(C)C 1529841206 ISEKHLCQVIMCMK-FZOAFFARSA-N 428.573 4.629 30 10 IJEE C#CC[C@]1(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)CCCN1C(=O)OC(C)(C)C 1531212892 HFCBAMRFEAUEMV-NPMXOYFQSA-N 447.482 4.829 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1532322790 DICLUZPCMNKTDB-UHFFFAOYSA-N 448.567 4.611 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C(=O)OCc2ccccc2)C(C)(C)C)cc1OC 1536999407 CIQRQAKWBWMMMN-NNRIVUTJSA-N 437.536 4.548 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3cc(Cl)ccc3OC3CCCC3)CC2)c1 1537813287 ATBMWABAZVSDEO-UHFFFAOYSA-N 437.971 4.927 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 1538170272 VYGYRPJJJDOKHC-UHFFFAOYSA-N 439.309 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cnn(C)c1 1539650609 SVPWVHGIPZUXPY-GOSISDBHSA-N 442.995 4.873 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(C)(C)OC 1539677411 BLNZYCGVOJBGDX-UHFFFAOYSA-N 427.376 4.991 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1539752803 ZZLQYXVHTHVASH-KNQAVFIVSA-N 449.426 4.790 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CC)C1 1539758767 MLQYWNWXOCFGFN-INIZCTEOSA-N 439.387 4.993 30 10 IJEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCSCC(C)C)CC1 1539840458 TZLLQDCUUPHEHP-UHFFFAOYSA-N 428.602 4.652 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1539877775 FAQQLROBTPDJGD-GMAHTHKFSA-N 438.616 4.697 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539877806 FZRJKWIZRRCBLL-MRXNPFEDSA-N 429.565 4.504 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1539903316 WGQNGWXCLGDXTA-ZWKOTPCHSA-N 441.624 4.538 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1539948127 UKXPDUKOLCEKNU-OAQYLSRUSA-N 430.556 4.584 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(C)CCCS1 1540058964 JGPYDZGTBSZLJM-LJQANCHMSA-N 437.407 4.624 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@H]1CC 1540073393 ZXZBDQDGZKYXQU-XUVXKRRUSA-N 431.625 4.841 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CC(=C)Br 1540118933 CNSUIMRVUGUUGR-UHFFFAOYSA-N 443.345 4.956 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1sc(C)nc1C 1540155243 PNBYVSSLFFGUGP-INIZCTEOSA-N 427.549 4.857 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(Oc2ccccc2F)c1 1540168658 TUGNVKWJHHGQTJ-FQEVSTJZSA-N 449.530 4.725 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC2(CCCCCC2)C1 1540856193 ZDIOWFQJDARSNB-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCO[C@H]2CCCC[C@H]2C)C1 1540888511 RITLHQFCYYBGPF-KNKQGSTJSA-N 445.007 4.975 30 10 IJEE C#CCN(CC(=O)N[C@H](CC(C)C)c1ccccc1OCC(C)C)C(=O)OC(C)(C)C 1545267036 SETSRYPNQWAISR-OAQYLSRUSA-N 430.589 4.795 30 10 IJEE CN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1N(C)CCCC1(C)C 1554192267 CKPOJKCLQCXDGF-NRFANRHFSA-N 434.613 4.635 30 10 IJEE C=CCOc1ccccc1CNCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 1560337646 PYMDXRBMOXBCIV-FQEVSTJZSA-N 426.557 4.692 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 1563508280 FCZMIKLMVJMTKM-UHFFFAOYSA-N 436.515 4.551 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(Cl)cc1F 1564999810 KKFXGLCASOVGHY-XMMPIXPASA-N 435.930 4.834 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 1584761339 IETOGVCWFXJFDY-GTCCEBARSA-N 444.984 4.640 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@@H](C)N1CCCCC1 1587562415 OULRAWDNFBCDOA-XUVXKRRUSA-N 444.023 4.794 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CC=CCC1 1587798205 FHRDEHXHNMMKDR-RTWAWAEBSA-N 441.620 4.946 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H]1CC=CCC1 1587883416 ACZPUINYPFZEAZ-GOSISDBHSA-N 443.389 4.826 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](c1ccsc1)N(C)C 1587915739 QNSZQQNZTDXVOD-OXJNMPFZSA-N 444.004 4.505 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCCN1CCC(C)CC1 1588550174 JRHRJYWMPNSOOP-UHFFFAOYSA-N 437.607 4.837 30 10 IJEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1593735296 BTXZBZQGPSGQHA-OAHLLOKOSA-N 441.523 4.608 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1593931881 BIHAHLGQAAADGI-YJBOKZPZSA-N 439.412 4.982 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCOC2CCOCC2)CC1 1594241414 PPEXRGAYTWWDTL-UHFFFAOYSA-N 445.007 4.510 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1594535526 SAJFEPCZMNQXMF-WIYYLYMNSA-N 427.568 4.586 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1594728175 XRZHWVJJXOYACK-PMACEKPBSA-N 448.514 4.665 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1coc(-c2cccs2)n1 1594998002 WGULEGXDKDQMGC-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1595141324 FARBZYVBXXEWAE-QGZVFWFLSA-N 433.622 4.816 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1595884518 MQFQDARHWKBNFC-NRFANRHFSA-N 427.662 4.891 30 10 IJEE CCN(CC)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 1597706194 CMSPBXHELMETBY-NRFANRHFSA-N 447.501 4.934 30 10 IJEE C=CC1(CC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)CN(C(=O)OC(C)(C)C)C1 1611454015 XQEMCHPVZIFLAP-UHFFFAOYSA-N 440.584 4.706 30 10 IJEE Cc1ccoc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(F)(F)F)CC1 1611878685 BRQFWQYRFZXSPF-UHFFFAOYSA-N 429.446 4.935 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C(F)(F)F)cc2C)n1 1612197083 HZIUIJQBUUAVCT-UHFFFAOYSA-N 440.473 4.764 30 10 IJEE CCCc1nc(C)c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)[C@H](C)CC#N)o1 1614430057 CXSZMPDFFLFEED-NVXWUHKLSA-N 440.523 4.593 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(CC)[C@@H](C)CC)c1 1617393138 GYEBGAOEVFWSMQ-KRWDZBQOSA-N 434.989 4.982 30 10 IJEE CO[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1)C(C)(C)C 1618974928 ABYSYTHKAOABQX-IIBYNOLFSA-N 441.645 4.932 30 10 IJEE C=CCOc1ccc(CNC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1Cl 1620943219 NRGHRTCKBJBAFK-UHFFFAOYSA-N 427.976 4.617 30 10 IJEE C#CCOc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)cc1 1620999857 JBSOKPHWTXHXOL-DNQXCXABSA-N 438.543 4.721 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1c[nH]c2cc(Br)ccc12 1622609356 KOAAFIUWRWDOCN-HXUWFJFHSA-N 443.366 4.632 30 10 IJEE C=CCCC[C@H](C(=O)Oc1cnn2c1CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1623561267 OAJFAMCIAVNLGS-IBGZPJMESA-N 425.529 4.679 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 1625882228 WNRYSECHOFTWCJ-HXUWFJFHSA-N 432.524 4.555 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1ccc(Br)cc1 1630023104 IDUWMWBNHPETQA-OAHLLOKOSA-N 445.785 4.836 30 10 IJEE C=C(CCC(=O)OC)C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1630133627 XWUJACALMGMBQL-QFIPXVFZSA-N 440.609 4.597 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)n1 1635721549 NPLGZQMPGBXIMF-LJQANCHMSA-N 428.580 4.878 30 10 IJEE C#C[C@H](NC(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C)c1ccc(F)cc1 1636548221 NLLBTGQIAVDBOC-FTJBHMTQSA-N 435.587 4.875 30 10 IJEE C#CCN(C)CCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2 1641720678 WKUVOOAOVVUDDS-XUTLUUPISA-N 441.550 4.936 30 10 IJEE C=CCNc1ncc(C(=O)N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)s1 1645984328 CKLCVSKWHIMJBW-KRWDZBQOSA-N 448.633 4.630 30 10 IJEE CC[C@H](CO)N(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)C1CCC(C(C)(C)C)CC1 1647855964 AGGOQQDKXHRLLK-JRRMTSHWSA-N 448.611 4.901 30 10 IJEE C=CCN(CC1CCCCC1)[C@@H](C)C(=O)Nc1ccc(I)cc1 1652493637 PXZKXESSXOHDAR-HNNXBMFYSA-N 426.342 4.687 30 10 IJEE CCc1ccc(N(C(C)C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)cc1 1655546385 FSPWXSRWQQGKSC-UHFFFAOYSA-N 425.323 4.626 30 10 IJEE C=CCCC[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccccc1 1655806686 KIHARCLABYLCGA-FQEVSTJZSA-N 429.542 4.889 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)c1cccs1 1662096780 CGFOZGNKPGCNQC-QGZVFWFLSA-N 436.480 4.901 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1OC 1663752707 ARESKMIVCHFPDB-UHFFFAOYSA-N 435.996 4.510 30 10 IJEE C#Cc1cccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c1 1666473769 ZKUKFSKQQSCMQF-FGZHOGPDSA-N 437.515 4.722 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)cc(OC)c1OC 1667711246 MQIVXACBQWURET-QHCPKHFHSA-N 437.584 4.551 30 10 IJEE COc1ccc2ccccc2c1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1668221638 FVGWLKOGNQKAIM-UHFFFAOYSA-N 445.910 4.923 30 10 IJEE C=CCCSCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 1674228027 FYGBPIZEJNJYPJ-HSZRJFAPSA-N 426.582 4.670 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)OC)c1)c1ccc(Cl)cc1F 1678592853 QEACNTXWUGKROZ-HXUWFJFHSA-N 443.906 4.752 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1679564239 GSRLULUQPZLMAV-HXUWFJFHSA-N 432.351 4.539 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21)c1ccc(F)c(F)c1 1680284677 RZWSKKSVOUNSCT-GEALJGNFSA-N 433.296 4.982 30 10 IJEE N#Cc1ccc(OC2CCC(NC(=O)N3CCc4c(ccc(Cl)c4Cl)C3)CC2)nc1 1680621995 AVTWIDDPJVUAPU-UHFFFAOYSA-N 445.350 4.718 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(F)cc(Br)cc2C1)c1ccc(Cl)cc1F 1683688359 BSNHSMDTSRJWDL-GOSISDBHSA-N 439.687 4.823 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)ccc1OC 1684381040 CTVAZVZVVHUCEX-OXJNMPFZSA-N 429.467 4.531 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1csc(CC)n1 1689950807 BTBKHVJASZNMAS-UHFFFAOYSA-N 425.627 4.607 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCC1CC(OC(C)(C)C)C1 1690009843 MJROPSXTWQFCQA-UHFFFAOYSA-N 441.579 4.550 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CC(C)C)CC1 1690035621 DZWDSHNOPRNBQH-UHFFFAOYSA-N 426.511 4.836 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1c(C)noc1C 1690055306 RQIFPXNCULOHOY-LJQANCHMSA-N 447.608 4.750 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1sccc1C 1690196637 RLTUJAKHUPTWJZ-XMMPIXPASA-N 436.581 4.567 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(c2cccc(OC)c2)CC1 1690247447 AZDVJTXCVAAUDD-WIOPSUGQSA-N 438.616 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCCCC1=O 1690259661 RLAVNXAKKUSJOI-UHFFFAOYSA-N 433.959 4.543 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](CCOC)C1 1690354143 GQJQVIQRQPKTCF-HNNXBMFYSA-N 427.401 4.839 30 10 IJEE C=CCCCCn1c(N2CCc3c(F)ccc(F)c3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690467859 KWPBHLQXEQYUAF-XMMPIXPASA-N 446.542 4.516 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1690483761 WEOZWKPUQMOBDO-LEWJYISDSA-N 426.561 4.845 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1690515840 VSIQYSJUBVFKIS-WOJBJXKFSA-N 427.593 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCc1ncc(CC)s1 1690578512 ZVZGOWBBLYWTDZ-KRWDZBQOSA-N 443.642 4.688 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCC[C@H]1C 1690586281 JTVBLBAXUISDBO-HOOSLVGPSA-N 426.630 4.861 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(C)C)CC1 1690734183 XYYHRSYKWWOJCQ-UHFFFAOYSA-N 441.645 4.939 30 10 IJEE COc1ccc([C@@H](C)CCn2c(Cc3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1697326890 GXOWOFVFVSFLRG-RXFWQSSRSA-N 444.583 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1705477484 OOTAGBMYSHXKIY-LWIATZKVSA-N 441.595 4.526 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCSC(F)(F)F 1705478317 ZPKBJBJZTZMUAT-CHWSQXEVSA-N 432.899 4.782 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1csc(-c2ccco2)n1 1705541864 TYDCTFVXWQMZPD-GOSISDBHSA-N 447.564 4.869 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCc2ccccc21 1705603456 PUWSZDOJJXYACJ-QLBJFCOMSA-N 444.623 4.780 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](SC)C(C)(C)C 1705623196 JEKRKEIOFCXESN-FQEVSTJZSA-N 426.586 4.555 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705663857 FJLPAYAVTMJUIW-FCHUYYIVSA-N 438.641 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1705704796 ZIGJTENNEFROLN-GMAHTHKFSA-N 446.599 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1csc(CC)n1 1705714190 IGYQYZPNFBERIJ-UHFFFAOYSA-N 447.612 4.795 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 1705792097 MLPUWWOMDVUZJU-CQSZACIVSA-N 439.423 4.845 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](C)[C@@H]1C 1705817045 BFNFMBBUGNRRHG-IPMKNSEASA-N 449.665 4.689 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)COC1)C1CC1 1705849575 QGXVVRKBRUPKHO-KRWDZBQOSA-N 430.980 4.880 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1cc(OC)ccc1OC 1705864333 YGKIGWQXIISDMQ-UHFFFAOYSA-N 426.586 4.895 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C)cc1 1705876707 HOAUTBLPCFVDEL-NRFANRHFSA-N 437.588 4.885 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1CC1(C)CCOCC1 1705879629 GSSMYMOWTPPEPF-UHFFFAOYSA-N 434.584 4.822 30 10 IJEE CC(C)Oc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)cn1 1706681861 DMGFHCWMTNPOPR-UHFFFAOYSA-N 430.556 4.674 30 10 IJEE C[C@@H](CN1CCCC1)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N 1706816375 ALZISNSFCONFPA-ZWKOTPCHSA-N 447.052 4.694 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCc1nc(C(F)(F)F)cs1 1708450696 CINPPZJTAJCVIY-CYBMUJFWSA-N 426.512 4.640 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(F)(F)F)cs1 1708575706 AXKYSEOXJFDVDG-CYBMUJFWSA-N 434.491 4.823 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccccc2Cl)n1CC1(O)CCCCCC1 1712886668 AAHPZACGQJLRBO-UHFFFAOYSA-N 427.980 4.814 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(F)cn1 1722281818 ZJDHCCYZAWZQQF-SJORKVTESA-N 441.938 4.729 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC2(CCOCC2)C1 1722326471 GJGHOORKDUHDHC-IBGZPJMESA-N 442.991 4.882 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCS1 1722392730 RZRRPFBDUQYCSB-HSZRJFAPSA-N 436.625 4.729 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1722488707 CDRSYFGPIHYKJL-ZBFHGGJFSA-N 437.357 4.920 30 10 IJEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1722544330 RFYNMMMIWSORHB-UHFFFAOYSA-N 444.023 4.816 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncc(CC)s2)CC1 1722569556 FDIHHWZYIXNEFJ-UHFFFAOYSA-N 429.977 4.734 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC2(COC)CCCCC2)CC1 1722583456 SCTQFENKFYURNP-UHFFFAOYSA-N 438.616 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C)(COC)CC1 1722587484 QDPKKOVNMPHDPY-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1722587525 RQKFJHFREXFNLI-OAQYLSRUSA-N 448.615 4.552 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](c2nccs2)C1)c1ccccc1 1722596997 PPYUHIIZNXYMFZ-SFTDATJTSA-N 437.613 4.871 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1722605150 XAIKERIQARIUHR-HXUWFJFHSA-N 429.653 4.698 30 10 IJEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 1722629945 QHAQVBSOXLXXQH-UHFFFAOYSA-N 436.604 4.569 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCC[C@@H]1C 1722675261 LQCNLRNHRGEPHP-RXFWQSSRSA-N 434.584 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCCCC1 1740559855 WIUQSWXUHGWGAR-SFHVURJKSA-N 432.037 4.558 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS[C@@H](C(C)C)C1 1740565858 JTYYABOHCYTAET-JOCHJYFZSA-N 434.613 4.717 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740572283 GLTYBCAHVQFDEX-XMMPIXPASA-N 444.627 4.713 30 10 IJEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(Br)cs1 1740587437 KCFLDWMLPFBBHL-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN(C(C)C)C(C)C 1740663776 SXKYIHSAGGHFSQ-UHFFFAOYSA-N 446.643 4.931 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCSC1 1740664667 YOXILMVTDGXOFA-ZDUSSCGKSA-N 439.810 4.574 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)c1ccco1 1740716523 SXGBPHLJGPRHQA-QGZVFWFLSA-N 433.537 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)CC1CC1 1740753457 KGGVXVHTEBPTDS-LPHOPBHVSA-N 448.409 4.643 30 10 IJEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1740782589 WMFHEBNHGWOIAO-FUHWJXTLSA-N 437.357 4.658 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](OC)C(C)(C)C1 1740807891 RFTWMQHUFPEYDA-FQEVSTJZSA-N 442.947 4.731 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2nccs2)CC1 1740835058 CAOVMAYTGPWDQA-ZDUSSCGKSA-N 447.406 4.698 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)c2nc(C)cs2)CC1 1740841727 YJNPVYIYLAQUGO-KRWDZBQOSA-N 448.596 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C2CCOCC2)C1 1740845414 NRWZXXWOKTYEJQ-IBGZPJMESA-N 429.996 4.849 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1740848726 QFPDQAWSAUKOQE-IBGZPJMESA-N 429.653 4.915 30 10 IJEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(CCC)Cc1ccc(F)cc1C 1740874841 IRHVUZORELZENA-UHFFFAOYSA-N 439.535 4.836 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)nn(C)c1C 1740891352 ZNFSQWAMXRKASW-GOSISDBHSA-N 442.995 4.709 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCc1ncc(CC)s1 1740918415 JIMLUKSSYHLFSL-UHFFFAOYSA-N 430.581 4.794 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCCc1ccccc1 1740947071 NPDPSCITWJSXME-NRFANRHFSA-N 439.604 4.648 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CCSC(F)(F)F 1741244020 ADIVYFUUBJALKX-HZPDHXFCSA-N 445.555 4.580 30 10 IJEE CC(C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ccc(N2CCCCCC2)nc1 1741334358 HEQOXVACJAVQDB-UHFFFAOYSA-N 443.599 4.733 30 10 IJEE CCOC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1746600373 CFQCLBIWFZEJKM-NRFANRHFSA-N 446.393 4.653 30 10 IJEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1747778426 FMDBMZFYOKHRHF-FCHUYYIVSA-N 433.556 4.887 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C1CCCCC1)N(C)C 1748869255 ZSFPNZLGYIXICI-QHCPKHFHSA-N 438.019 4.572 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CCSCC 1749106481 DYBMZMKNPNCEAQ-CYBMUJFWSA-N 444.468 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCOc1ccc(F)c(Cl)c1 1749153967 HLBQQDKLMGJUSW-UHFFFAOYSA-N 429.927 4.922 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1749220457 IESLKDPNLVFGJL-SFTDATJTSA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1749359390 KDJHPWAVYMATOU-GOSISDBHSA-N 436.560 4.631 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1749384449 BQZCMFUWPMGALI-PKTZIBPZSA-N 448.615 4.519 30 10 IJEE C=CC[C@H](Cn1c(COCC)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1749385149 NVJCJIRMZUWYDQ-BWKNWUBXSA-N 426.605 4.816 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749450978 ZLDWNRQZXWZGOP-NJDAHSKKSA-N 426.609 4.509 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCO[C@@H]1CCCC[C@@H]1C 1749560754 AKAYBZDFNWNJHE-QFBILLFUSA-N 448.409 4.809 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H](c1c(F)cccc1F)N(C)C 1749563449 HSVIFZDXIJPRAR-LJQANCHMSA-N 427.499 4.606 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCc2scnc2C)c2ccccc2n1 1751414109 CIOXPVUSNJDNBS-INIZCTEOSA-N 431.569 4.548 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)Oc1ccccc1 1760197092 QAYKXAQELYAFRS-HXUWFJFHSA-N 444.604 4.816 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCSC(C)C 1760213077 OYKPCWNIISPJCR-GOSISDBHSA-N 426.655 4.736 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN(CC)C(C)C)CC1 1760397546 WUSKJFOHZRUXIQ-LJQANCHMSA-N 429.584 4.690 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)N1CCCCCC1 1760457448 SEMBCGAUUFWXKX-UHFFFAOYSA-N 441.645 4.690 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3CCCO3)CC2)cc1 1760530151 QVZIEASGHJECQQ-QHCPKHFHSA-N 438.616 4.875 30 10 IJEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)C1 1764507729 BHTGRIDOMADJKW-HSZRJFAPSA-N 448.615 4.530 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(CC2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1765104379 FDEYZUCNKGSAHN-XMMPIXPASA-N 434.632 4.783 30 10 IJEE N#CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 1770744173 HDLGHEAZLMFVRV-BZSNNMDCSA-N 425.499 4.628 30 10 IJEE CCCCCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1860343284 WOGFOBCNBLPVRH-UHFFFAOYSA-N 429.026 4.608 30 10 IJEE CC[C@@H](C)NC(=S)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 1860498615 ICFHEOPAWVTNCY-HUSFYUSLSA-N 428.989 4.970 30 10 IJEE O=C(/C=C/c1cccc(Cl)c1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Br 1860727480 PHMHZSILVBNDPN-QPJJXVBHSA-N 444.068 4.885 30 10 IJEE COc1cccc(/C=C/C(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC 1860727974 PSZMSVLFCHNKHY-VOTSOKGWSA-N 447.331 4.962 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 1861129588 ILANQJQFKDSLHT-XGAHLHMBSA-N 437.540 4.942 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1Cl 1862432835 NZVVYBQHSIZLBO-HXUWFJFHSA-N 447.362 4.914 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CC)cc1 1862463993 ZDHBZKOAJFGLML-HXUWFJFHSA-N 432.442 4.548 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862521611 MGZOKOKLKUPTBQ-XMMPIXPASA-N 448.563 4.845 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1 1862591566 JMNBYSBSNCEJPH-FQEVSTJZSA-N 439.920 4.928 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(C)C)cc1 1862596057 RADNHFPHCBNICL-QHCPKHFHSA-N 437.536 4.909 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862624000 YFYIGMBFQRSQJQ-LJQANCHMSA-N 447.453 4.574 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 1862672381 BVKBZXMBIVVWGF-QFIPXVFZSA-N 425.500 4.782 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1 1862693636 PUEOXZUIPYRZIA-ORAYPTAESA-N 444.325 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862695215 BESFHHJFZHBNKQ-XMMPIXPASA-N 446.547 4.599 30 10 IJEE N#Cc1cc(Br)c(NC(=O)CCc2ccccc2F)c(Br)c1 1866042435 BFYJHHOGOWBTJH-UHFFFAOYSA-N 426.083 4.794 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c(C)c1 1870162196 OIKMTUZQPDPCNE-RTBURBONSA-N 448.958 4.689 30 10 IJEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(Cl)cc2)cc1=O 1871006581 MNDPMLKFZAQMRM-UHFFFAOYSA-N 431.923 4.850 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CNc1ccc(C)c(C)c1 1871156287 VTLHLNFCJSGQID-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(OCC)cc1 1872409659 RBXUJKPNPURTHZ-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872461075 PFYGUQKJPLEXRE-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)c1 1872783698 GBFLNHCOMNBDLP-HNNXBMFYSA-N 443.868 4.879 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CC(C)C)ccc1OCc1ccccc1Cl 1873502319 GHAIOYMQIXNPRQ-FSJBWODESA-N 430.961 4.889 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(O)c(OCC)c1 1874267590 FSTYAHUAEDMJKW-YDZHTSKRSA-N 446.960 4.999 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1ccc(C(=O)OC)cc1 1874324185 CPIVITGCLWBFIE-ZVHZXABRSA-N 438.553 4.645 30 10 IJEE Cn1cccc1/C=N/n1c(COCc2ccccc2)nnc1SCCc1ccccc1 1874355315 IVBVXPFNBAOELV-KOEQRZSOSA-N 431.565 4.550 30 10 IJEE CCCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874480741 JUEBOTXUBDFULD-FOKLQQMPSA-N 434.924 4.999 30 10 IJEE CCc1ccccc1NC(=O)CSc1nncn1/N=C/c1ccc(Cl)cc1Cl 1874536194 QZTFXSZKZCEIFN-AUEPDCJTSA-N 434.352 4.760 30 10 IJEE O=C(Cc1ccccc1[N+](=O)[O-])Oc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 1874697999 GPRNAGMOWLSOTL-MDWZMJQESA-N 432.388 4.547 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccncc3)c(OC)c2)cc1 1875129869 XTPROLSYJVFJRJ-BJMVGYQFSA-N 433.460 4.613 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 1882285020 OJBLZRDNPNGJCV-UHFFFAOYSA-N 437.378 4.737 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 1912145087 ZFKUFERYKLVPEF-NHCUHLMSSA-N 434.541 4.607 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H]2NC(=O)OC(C)(C)C)c1 1943913994 XYXITSQAIUQUDX-WZONZLPQSA-N 431.533 4.776 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCOCC2)C1 1950337710 JMHZDCWVQYPQOR-VWLOTQADSA-N 427.589 4.597 30 10 IJEE C[C@@](Cc1ccc(C#N)s1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951801803 XXITWQNQPVDLLI-DEOSSOPVSA-N 432.501 4.544 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1978260650 KSQIRSRKMVAUDC-IFXJQAMLSA-N 435.487 4.715 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@H]1OCc1ccccc1 1998839429 JGIHONURHUFUSU-PXDATVDWSA-N 429.605 4.843 30 10 IJEE COCC1(NC(=O)OC(C)(C)C)CC(C#N)(N(C(=O)OC(C)(C)C)c2ccccc2C)C1 2035397114 XAXAMMMWFJWTJB-UHFFFAOYSA-N 445.560 4.703 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Cl)c(Br)c1F 2041202606 JYQBUJFHWGPNNO-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(F)c1Br 2102884093 NHTPWDUSEKPLSX-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNc2cccc(Br)c2C#N)CC1 2106958308 DMNFTRYIVZMJPW-MRXNPFEDSA-N 426.330 4.718 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@]1(CCC)CCCCN1C(=O)OC(C)(C)C 2124493585 IPYSMXSGDKCJDM-FQEVSTJZSA-N 429.399 4.870 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCNc1cc(Br)cnc1C#N)c1ccccc1 2167616130 HWOQQXXDYVEWAL-INIZCTEOSA-N 431.334 4.784 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(c2cc(Br)ccc2C#N)CC1 2174767460 KGEUTIBSJBYABY-HNNXBMFYSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C#N)c(Br)c2F)CCC1(F)F 2174812409 KRTPXMZWNAOLFO-ZDUSSCGKSA-N 448.283 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](Oc2nc(Cl)c(C#N)s2)(C(F)(F)F)CC1 2184481614 LSDRORXWPCQDEG-OAHLLOKOSA-N 425.860 4.769 30 10 IJEE CCCc1ccc(C#C[C@@H](NC)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 2231150996 AYDJVLHBSLVLES-CLJLJLNGSA-N 449.639 4.604 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2235720059 HAOZMTLPXDFONJ-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@H](C)C1 2235723798 HYDNTQSGGAWHBY-DKZVUGQWSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C1(CNC(=O)OC(C)(C)C)CCCC1 2235733137 TXVQYBQIRLNFLP-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 2247979702 PFXJGVKCPVXLKR-IERDGZPVSA-N 436.557 4.709 30 10 IJEE CC1(NC(=O)OCc2ccccc2)CCC(N)(C#Cc2ccc(Br)cc2)CC1 2264126755 CZELKAFUKVDJRY-UHFFFAOYSA-N 441.369 4.757 30 10 IJEE CC1(C)OB([C@H]2CCCN(C(=O)c3cccc(Cl)c3Br)C2)OC1(C)C 2267983288 NMILKPKMIQJITB-LBPRGKRZSA-N 428.563 4.801 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1 2268719413 DFRXDOZLSXWJDZ-GOSISDBHSA-N 446.328 4.623 30 10 IJEE CC1(C)OB(c2ccnc(Oc3cc(F)c(Cl)cc3Br)c2F)OC1(C)C 2280721027 WEHVECLVCFARDG-UHFFFAOYSA-N 446.484 4.867 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 2282676305 JQHGXTPIEOUIMW-NRFANRHFSA-N 449.400 4.504 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CCN(C(=O)OC(C)(C)C)C1CC1 2296297204 WKXPWTDLXBADMS-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CCN(CC)CCCN1C(=O)C(=O)C(=C(O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 2296931486 PZXHRQKXKSZXBQ-XMMPIXPASA-N 434.580 4.964 30 10 IJEE COc1ccc(CN(Cc2ccc(OC)cc2)C2=NC(=NCC(=O)C(C)(C)C)S2)cc1 2297616721 HXPKFCZAQRKOFL-UHFFFAOYSA-N 439.581 4.780 30 10 IJEE CN(C)c1ccc(C=C2SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1 2314818765 LIKYMHUXRXYQDF-UHFFFAOYSA-N 430.533 4.852 30 10 IJEE CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1ccccc1C(=O)O 2314928300 SWBMCPWBJUWQOR-UHFFFAOYSA-N 431.311 4.771 30 10 IJEE CC(C)(C)OC(=O)NCCC1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2317350423 RUQBWCPNWXZANA-GXDHUFHOSA-N 430.354 4.552 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(CN3CCN(CC=Cc4ccccc4)CC3)cc2)cc1 2321753945 KFRVTLGSLKHKKI-UHFFFAOYSA-N 436.559 4.642 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 2321935030 RGYUTXJKYOTGLY-UHFFFAOYSA-N 431.463 4.845 30 10 IJEE COc1cccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCOc2ccccc2)C4)c1 2322038175 FSQDFAGBDMGMCM-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1OC 2322748162 LUJAOKQWWQXYJM-UHFFFAOYSA-N 445.471 4.605 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c1OC 2322781588 UBNCIWWWRHNADX-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCOc1ccc(OCC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2323078667 LMUMMIXERZFPIF-UHFFFAOYSA-N 434.444 4.896 30 10 IJEE O=C(Oc1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1)c1ccc(F)cc1 2323510785 NBECMBQDHVOHBK-UHFFFAOYSA-N 446.507 4.593 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 2323648505 KGIPZOZVKHXCIX-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OCC(=O)NC4CCCCC4)cc(C)c3C2=O)cc1 2325327389 MCADSQNBZDCZIF-UHFFFAOYSA-N 435.520 4.838 30 10 IJEE O=C(C=Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325699897 YGZHQFYKBBJCNE-UHFFFAOYSA-N 431.288 4.674 30 10 IJEE CCOc1cc(C=Nn2c(CCCOc3ccc(CC)cc3)nnc2SC)ccc1O 2326295462 TXHCVLDZDSWLTK-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(C(=O)O)cc1 2327019613 QMOWVFCHUWBGJX-UHFFFAOYSA-N 438.553 4.681 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2N=Cc2cccc(Cl)c2)cc1 2327395460 KLFAGNZTSMBYIH-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE COc1cccc(C=CC(=O)NCc2ccc(OC(=O)Nc3cccc(C#N)c3)cc2)c1 2329335750 YVDNVPBOABRYMO-UHFFFAOYSA-N 427.460 4.507 30 10 IJEE Oc1ccccc1C=Nn1c(COCc2ccccc2)nnc1SCCc1ccccc1 2329344174 LUJBIIKJHYWHBJ-UHFFFAOYSA-N 444.560 4.918 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CCc2ccccc2C)n1N=Cc1cccc(C)c1 2329465468 ONSXNEWSFVZXAT-UHFFFAOYSA-N 449.624 4.523 30 10 IJEE Cc1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccc(O)cc2O)cc1 2330156130 BOSROMUNMSTSHF-UHFFFAOYSA-N 444.560 4.957 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330485475 PFZMJLJDEOCZJO-UHFFFAOYSA-N 427.917 4.981 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(OC)cc(OC)c3)c(OC)c2)cc1 2330990156 OZBQVAKKZLLBEN-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(N(CC)CC)cc1 2331100848 PSMJYWHBJYCYIE-UHFFFAOYSA-N 443.617 4.709 30 10 IJEE Cc1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc3c(c2)OCCO3)cc1 2331108680 UCWSGYGYCNIVMV-UHFFFAOYSA-N 434.443 4.551 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1c[nH]c2ccccc12 2331404001 QPZJUUNLKWVZEF-UHFFFAOYSA-N 440.617 4.680 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(CCC)nnc2SCC)cc1OC 2331645550 MJSIMLLFBVDSLU-UHFFFAOYSA-N 441.395 4.785 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2334271181 RVFYUQVOOALAQZ-MRQBATSKSA-N 438.421 4.513 30 10 IJEE CC[C@]1(Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2339577310 QRJCXAVTPJKEMN-ZOBSEURRSA-N 443.397 4.928 30 10 IJEE CN(Cc1ccc(I)c(Br)c1)C1(C#N)CCCCC1 2349802846 FNGCUCKUNANGRO-UHFFFAOYSA-N 433.131 4.712 30 10 IJEE CC1(C)OCCC[C@]1(C#N)Cc1ccc(I)c(Br)c1 2349897982 FKIPFXVLQAJABZ-OAHLLOKOSA-N 434.115 4.695 30 10 IJEE Cc1cc(CN2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369727905 DYDBGEFKPPNKEO-RPBOFIJWSA-N 446.444 4.533 30 10 IJEE Cc1cc(CSc2cc(Br)ccc2N)cc(B2OC(C)(C)C(C)(C)O2)c1 2369733506 LVWFDKZFHZIOHR-UHFFFAOYSA-N 434.208 4.931 30 10 IJEE C=CC[C@@H](Oc1nc2ccccc2nc1Br)[C@H]1CCN1C(=O)OC(C)(C)C 2381314579 HNXYFEGUZVYNIR-HZPDHXFCSA-N 434.334 4.725 30 10 IJEE CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)ccc1O 21256046 PAFDHJXWBVJXCU-PZJWPPBQSA-N 449.547 4.830 30 10 IJEE C=CCn1c(-c2ccco2)nn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=S 28781101 BBPGCYZIPZWFHN-UHFFFAOYSA-N 449.502 4.659 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c1 34943149 RBBWAURPJZBWIK-DEOSSOPVSA-N 434.580 4.957 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C/c2ccc(O)c(C)c2)C1=O 36301378 JHUANZYHVJULGD-CPNJWEJPSA-N 425.506 4.643 30 10 IJEE C=CCc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c(OC)c1 40196550 LDTOPNQXOOASRM-GOSISDBHSA-N 445.519 4.936 30 10 IJEE COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3OC)C4)C2=O)c1 41587534 IOEFIBAYBGANAE-MSXFZWOLSA-N 443.499 4.981 30 10 IJEE COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O 41655470 BZRVMFPDWSNFPT-FMCGGJTJSA-N 444.443 4.572 30 10 IJEE CCOC(=O)Cc1csc(S[C@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1 98002164 UIOZMFBMLUMOFD-VCRXTVNUSA-N 430.595 4.610 30 10 IJEE Cc1ccc(NC2=C/C(=N\S(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)cc1C 103746577 UONXROBFUXAIIX-HPNDGRJYSA-N 434.492 4.813 30 10 IJEE N#C[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccc(F)cc1F 111220462 MZOKQVFPVNTAKJ-LJQANCHMSA-N 431.236 4.640 30 10 IJEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(N(C)C)cc1 135884058 RDPGAJFCELBNIT-MTJSOVHGSA-N 430.375 4.590 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2)c1 169930407 XOMDPZAQGWEZSJ-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 169964133 GVMOQZZVZANQGQ-FQEVSTJZSA-N 425.362 4.592 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccnc2)c1 170012944 BEQMIKBPOWFFPU-HXUWFJFHSA-N 433.533 4.550 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)c(Cl)c2)s1 170041172 ROOKWPPZTJMLOO-GOSISDBHSA-N 440.908 4.902 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)c1 170058258 YBSUPVDOWZDDNX-GHTZIAJQSA-N 425.912 4.714 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccco2)cc1 170096380 KTEZOHBHLQIZJV-QHCPKHFHSA-N 443.455 4.855 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2nc3cc(C)c(C)cc3[nH]2)[C@@H]1c1ccco1 170098691 SCRLUVGHTLGZMG-OAQYLSRUSA-N 443.459 4.564 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccs2)cc1C 170162948 ZXOMSLPEAQKUIV-OAQYLSRUSA-N 434.517 4.629 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccn1)c1cc2ccccc2o1 170182410 IDVDSBKOZNQBIZ-JOCHJYFZSA-N 428.419 4.745 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccncc2)cc1C 170202434 WSCZJNLLYLLHGU-OSPHWJPCSA-N 440.499 4.805 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)c(OC)c1 170239504 LJRLUEVLKGCQAH-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266454 NHXVFMCCLUSQAH-QFIPXVFZSA-N 435.451 4.768 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(OC)ccc3Cl)[C@@H]2c2ccco2)cc1 170284690 MVHNUQCDKCWDRQ-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2sccc2C)c1 170314347 HRWKQJXAXGKESM-FQEVSTJZSA-N 433.485 4.877 30 10 IJEE Cc1ccccc1[C@@H](C#N)C(=O)c1cc(I)ccc1Br 235805746 BAEPVTHHSQODSQ-CQSZACIVSA-N 440.078 4.852 30 10 IJEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC2(CC2)c2ccccc21 434543314 QGCPZNARUSCFMR-UHFFFAOYSA-N 445.466 4.728 30 10 IJEE Cc1c(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)oc2ccccc12 441869574 HHLLJRMWCXLNRX-UHFFFAOYSA-N 443.434 4.799 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)CC1 446629882 CIJCKFXFFXECNW-JVPYDEADSA-N 430.552 4.895 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H](c3nncn3C3CC3)C2)nnc1C12CC3CC(CC(C3)C1)C2 460366777 ACLNZCGJJREFKS-MOVGKWKRSA-N 447.631 4.632 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(Br)cc1OC 469008115 LTJPSODYKFHUKX-AWEZNQCLSA-N 448.317 4.825 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 498690326 XYSPQDLTLNIRIK-ZEQRLZLVSA-N 438.522 4.758 30 10 IJEE C=CCN(C(=O)c1oc2ccc(Br)cc2c1C)c1nc(C(=O)OCC)cs1 501939072 OOQHCXXWZDWVNL-UHFFFAOYSA-N 449.326 4.970 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526803236 SYDCLQHIAIWZDM-KSEXSDGBSA-N 434.924 4.825 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 549204487 JHFWQKBDOKEXQV-QHCPKHFHSA-N 436.556 4.593 30 10 IJEE N#CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cccs2)CC1 549569329 RHSUDOSPSNMVFQ-UHFFFAOYSA-N 428.359 4.557 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 579812397 QFYDMQFRGUSHLO-XMMPIXPASA-N 441.535 4.656 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2ccccc2F)cc1 586151640 VZHIDRIZCZOYLA-UHFFFAOYSA-N 438.524 4.876 30 10 IJEE C#Cc1cccc(N(C(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)C(C)C)c1 728247206 SYMYSTXAJOMDBR-UHFFFAOYSA-N 440.469 4.868 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(C)ccc1C 742214698 IVUUAZBSKMTVRN-NRFANRHFSA-N 437.540 4.816 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCO[C@H](c4ccc(F)cc4F)C3)c2)s1 777549942 CGRRBKINOTUZBT-NRFANRHFSA-N 439.487 4.848 30 10 IJEE C#CCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)[C@@H]1CCOc2ccc(Br)cc21 796441367 BYAAHYNOVFOOKU-XJKCOSOUSA-N 430.264 4.713 30 10 IJEE C#C[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc(F)cc1 812752152 WTOOBROXKKWYSC-OAHLLOKOSA-N 435.343 4.806 30 10 IJEE C=CCN(Cc1cccs1)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1124443310 ZYIZAZVIWWEUAA-QGOAFFKASA-N 446.594 4.693 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C2(Sc3ccccc3)CC2)c(C(=O)OCC)c1C 1124821263 OHJMLDQZZZNTJJ-UHFFFAOYSA-N 445.562 4.839 30 10 IJEE C=C(C)[C@H](CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)OCC 1127728805 UAZACNYTXYSRFB-VXKWHMMOSA-N 426.557 4.893 30 10 IJEE C=CCOc1ccc(COC(=O)c2cc(C)n(-c3ccccc3Br)n2)cc1 1127956323 VCSQATNVFZFGDO-UHFFFAOYSA-N 427.298 4.865 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)c1ccc(F)c(F)c1 1128248898 JXVFIAHEKGQPPV-OPAMFIHVSA-N 448.535 4.575 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2(C(C)C)CC2)c1 1129132109 PMKRGGTYQLLAFZ-UHFFFAOYSA-N 432.973 4.640 30 10 IJEE Cc1cc(Br)c2c(c1)CCCN2C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1129683400 FWLNBIIFIRYADA-UHFFFAOYSA-N 435.325 4.716 30 10 IJEE C=C[C@](C)(CCOC)C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1139339794 OEKSHKITWPRWFQ-HXUWFJFHSA-N 430.467 4.897 30 10 IJEE C=C[C@H](CO)NC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1 1148559541 PCFMSEJIHCXSQQ-LJQANCHMSA-N 442.515 4.633 30 10 IJEE C=CC1(CC(=O)Nc2nc3ccc4scnc4c3s2)CN(C(=O)OC(C)(C)C)C1 1179796387 QOSHFPAONCGKFI-UHFFFAOYSA-N 430.555 4.658 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(CN2CCC[C@@H](C)C2)cc1 1199267373 PGNYXJOBQKSCFU-LJQANCHMSA-N 441.413 4.983 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccccc1-c1cnn(C)c1 1206203492 RHBCICKOAPFNGD-UHFFFAOYSA-N 441.329 4.736 30 10 IJEE C[C@@]1(NC(=O)Nc2cc(F)cc(C#N)c2)CN(Cc2ccccc2)C[C@H]1c1ccccc1 1219798999 AWSROSYELTUKSD-AZGAKELHSA-N 428.511 4.877 30 10 IJEE Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1221431261 GDGRXHJJBSFTKM-SFHVURJKSA-N 431.565 4.583 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(c2ccc(Br)cc2)CC1 1255030767 ZYUFOCXUJXFNJI-UHFFFAOYSA-N 429.358 4.887 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1264833866 FGLQRAHNDAGQMZ-HHHXNRCGSA-N 445.563 4.652 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4cccc(C)c4)cc3C)cc2C1=O 1265012124 OMURSLMEVAXUIO-UHFFFAOYSA-N 440.499 4.917 30 10 IJEE C=CCOc1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 1268821351 KVFNZXAADOWCJA-UHFFFAOYSA-N 443.565 4.562 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)OCc2cc(C(=O)OC)ccc2C)s1 1270918256 WTQFWFPECGALCN-UHFFFAOYSA-N 425.959 4.677 30 10 IJEE C#C[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccc(Br)cc1 1275465833 ZBLLIOFYNQBYKL-IBGZPJMESA-N 437.341 4.756 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC)[C@@H](C)CC)c1 1278955609 YRXYRQAUEAKCHK-KRWDZBQOSA-N 434.989 4.982 30 10 IJEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(Cc1cccs1)C(C)C 1286323652 KYJBEXDVIZYNCQ-UHFFFAOYSA-N 446.580 4.874 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)c1cccs1 1286437231 CTNDMGQPRVBJHH-HJPURHCSSA-N 440.638 4.560 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1286556698 FAGNQMPFJWQEJX-WIYYLYMNSA-N 447.048 4.835 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CSCCS1 1286569783 ZCUWFVVIFKMEQW-HNNXBMFYSA-N 427.014 4.989 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(C)(F)F)c1 1286582607 AOXYJCBIFSIUIL-ICSRJNTNSA-N 434.531 4.565 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCc1cccc(F)c1)C1CC1 1286584959 XZYNAJBHIJMBBN-UHFFFAOYSA-N 444.352 4.962 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1286605185 JFDMXUXJHMRZJN-XZOQPEGZSA-N 437.632 4.629 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1286666324 COVZIYPXJDAFPF-SFHVURJKSA-N 444.645 4.823 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1286669598 LLEOJWHUSXZUBA-HXUWFJFHSA-N 427.499 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1286671193 UKIJLMBMTBANKD-UHFFFAOYSA-N 438.601 4.704 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1286671778 ZGYNTDMWDYXNKQ-GOTSBHOMSA-N 438.616 4.915 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1286689916 GRQYQPXHWCIIGA-NHCUHLMSSA-N 426.561 4.845 30 10 IJEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286694589 GAXRXRGVBSYVOU-JOCHJYFZSA-N 449.624 4.810 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1286696137 UXEPRQPDJQPQAR-HNNXBMFYSA-N 449.393 4.686 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)CC)C1 1286814320 PPNZRPVUTVIFOQ-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=CCC1(C(=O)N(CCO)Cc2cccc(OCc3ccccc3Cl)c2)CCOCC1 1290715327 ARMFRBVFBRLZQB-UHFFFAOYSA-N 443.971 4.613 30 10 IJEE CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC[C@H]1CCCCO1 1291664520 DHWJSWBSRIBSKE-PMOQBDJRSA-N 437.588 4.590 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccnc(SCC)c1 1300275797 AASYXUBLLRZHHK-HNNXBMFYSA-N 443.523 4.560 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CCc1cccc(C)n1 1300648895 HDXXLKIHBLPNPK-UHFFFAOYSA-N 445.567 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CC(CC)(CC)SC 1300799005 USQYFPNDKPYQBF-HSZRJFAPSA-N 442.629 4.876 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1301027257 NBRXZLACWWSCJN-UHFFFAOYSA-N 449.289 4.858 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(F)(F)F 1301186809 JURBZSOGMNTKRK-UHFFFAOYSA-N 445.530 4.747 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CC2(C)C)C1 1301541651 AYJAFCKCWKJAGN-MSOLQXFVSA-N 445.405 4.843 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)c1 1302982239 HJCSWSSHFVHPRV-OALUTQOASA-N 428.462 4.850 30 10 IJEE N#Cc1cc2c(nc1S[C@H]1CCc3cc(Br)ccc3NC1=O)CCCC2 1307286359 DTTVIMWABFSFNE-SFHVURJKSA-N 428.355 4.640 30 10 IJEE CCN(C[C@H](C)C#N)C(=O)CN[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1307626219 HLTBQTVXLQAQRT-WZONZLPQSA-N 442.401 4.505 30 10 IJEE CCOc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1OCC(=O)N1CCCCC1 1308440915 HKFOLYPAJOAFOH-XMMPIXPASA-N 447.579 4.515 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(OC)c(OC)c2C)cc1OC 1308530039 NURMWDWSVZTOMH-UHFFFAOYSA-N 436.346 4.638 30 10 IJEE C=CCc1cccc(F)c1OS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 1309599712 KQVXTFOBCBRXGF-KRWDZBQOSA-N 425.319 4.583 30 10 IJEE C=CCN(C(=O)c1cnn2ncccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1348922305 UGZUSBGFKDJOHP-UHFFFAOYSA-N 430.320 4.992 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1353965839 PZSWEIUKAYMYTO-UHFFFAOYSA-N 438.461 4.797 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](OCC)C1 1358906546 LCOMQRFOWIGBJY-LJQANCHMSA-N 431.378 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1359100653 DYNSCVGLFRTQOT-QPPBQGQZSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCC1 1359108473 QADACKFAYKTKGO-UHFFFAOYSA-N 432.616 4.851 30 10 IJEE C=C(Cn1c(N2C[C@H](C)CC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1359140908 QBNJZOIRYWYTKK-FQRUVTKNSA-N 438.616 4.905 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1359185995 QBRHSDOVPWSCFT-UHFFFAOYSA-N 431.584 4.985 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1359188903 XALRHSFDNQLQOU-FPOVZHCZSA-N 428.577 4.553 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)cn2C)n1[C@H]1C[C@H]1C 1359275080 JTSHWUMUFCVMOR-APWZRJJASA-N 440.389 4.862 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@H](C)c1c(C)noc1C 1359276963 XVPGGRKHTUWBKR-KRWDZBQOSA-N 434.544 4.520 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)C[C@H]1CC 1359310757 FZYBBBLVXFTWAX-LAUBAEHRSA-N 437.613 4.872 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(F)(F)F)CC1 1359311014 ODOCHMRFRBLYBX-LJQANCHMSA-N 436.478 4.521 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1359342814 FWINXOCSNJUKHU-UEXGIBASSA-N 428.602 4.725 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)C1CC1 1360466260 BIMFAZKOPPQSCR-LRTDBIEQSA-N 429.977 4.713 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)ccc(F)c2Br)cc1 1434881201 FWYAKYHDGOQZRF-UHFFFAOYSA-N 431.305 4.963 30 10 IJEE C#CCCCCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1435536069 BLDNRICFLKXVEM-UHFFFAOYSA-N 436.353 4.764 30 10 IJEE C#Cc1ccc([C@H](OC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)C(F)(F)F)cc1 1436241183 YENXCSOQMBRETQ-KRWDZBQOSA-N 429.316 4.558 30 10 IJEE COc1ccccc1[C@](N)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(F)(F)F 1457572250 DKMKPJKGTSZPCF-QFIPXVFZSA-N 441.409 4.714 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(CC)CC(=C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1458727601 BYQLOIWWHRTLTQ-CVEARBPZSA-N 445.654 4.674 30 10 IJEE C=CCn1c(S[C@H](CC)C(=O)Nc2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 1458822509 BSZNBZNCEHMBRS-QGZVFWFLSA-N 439.606 4.951 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)Nc2cc(C#N)c3ccccc3n2)(c2ccccc2)C1 1459911251 GJYDBCRCDQFJII-SANMLTNESA-N 442.519 4.624 30 10 IJEE CC#CCN(C)[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 1460175003 YQHMYGUWXCWNQH-VGOFRKELSA-N 438.593 4.685 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCCc1nc(O)c2ccccc2n1 1461064528 FYEBWQQWGSSESP-OAHLLOKOSA-N 442.441 4.618 30 10 IJEE CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)Nc2ccc(OC)c(C#N)c2)CC1 1467169975 HCFZRUASQAHKAW-JOCHJYFZSA-N 435.524 4.548 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C\C1CC1 1468313711 QMSDIUIJTGJWJN-CNXHMKESSA-N 430.548 4.942 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](C)Cc1ccc(C(F)(F)F)cc1 1470357355 GXPYFVGZMHNIBR-APWZRJJASA-N 440.506 4.792 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccccc1 1472275947 UNPYZPCLKBHNNV-HKBQPEDESA-N 444.553 4.676 30 10 IJEE C=CCn1c(SCc2cccc(N(C)C)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472907632 HDUMMSMNUAADGL-AWEZNQCLSA-N 426.611 4.522 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1474261234 GXIKTCMFQCKWBP-UHFFFAOYSA-N 432.973 4.529 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccccc1CN1CCCC1 1476729501 VTODENVYQOIRGM-UHFFFAOYSA-N 444.373 4.931 30 10 IJEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(CC)(CC)SC 1498986619 ARYDEPVNVNOTQS-UHFFFAOYSA-N 427.618 4.682 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccnc(SCC)c1 1507519410 ZXZWEGGCISYFJZ-IAGOWNOFSA-N 439.560 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1507539856 XVCYAOTXNJBNOK-GOSISDBHSA-N 439.604 4.914 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)[C@@H](C)c1ccco1 1507581078 QJXWWVRIHBGIMD-HNNXBMFYSA-N 443.345 4.920 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1507743718 BJLDEMIYQAUGDN-YJBOKZPZSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCC1CCC(OC)CC1 1507772431 PEDWPPSMQNXJSD-OZTQUORISA-N 440.563 4.584 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1507819020 ZXANFLPXTFGBBM-DHLKQENFSA-N 431.584 4.834 30 10 IJEE C=C(C)COCCn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1507848799 SHPDQBJBWXSWSN-PMACEKPBSA-N 426.630 4.671 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC)CC1 1507864509 BWOIVKUEFVRZTG-GOSISDBHSA-N 438.016 4.772 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 1507899411 GBIKSSGBFCIJGM-IBGZPJMESA-N 447.583 4.639 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1507919302 NXEQKOCJDCZULI-GOSISDBHSA-N 447.574 4.578 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507932313 PGEHFWOAIGRXLN-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCCO[C@H](c2ccccc2)C1 1507939487 PUZAMHYJZQKYKU-QFIPXVFZSA-N 437.613 4.958 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1ccc(OC)c(OC)c1 1507974526 XVVUUUDAHIJJMY-UHFFFAOYSA-N 441.963 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[C@@H]1CCCCO1 1507974777 JMAAEUUHDMHNBA-HNNXBMFYSA-N 439.785 4.942 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccsc1Br 1507983347 PTMGNQXWACFXHE-UHFFFAOYSA-N 442.386 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1Cc1ccnc(-n2cccn2)c1 1508006159 KMYCIVNOYHQILB-GOSISDBHSA-N 433.585 4.675 30 10 IJEE C=CCOc1ccc(Cn2c(Nc3cnn([C@@H]4CC4(F)F)c3)nnc2[C@@H](C)CC)cc1 1508103486 DORWKBUGDMLTHV-HNAYVOBHSA-N 428.487 4.925 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCC[C@H]2C)C1 1508116172 IFZNVKHMCMZDFM-SNOBZRMMSA-N 438.616 4.575 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)OCCc2sccc21 1512805834 GEBQFVXCQCJWQM-OSPHWJPCSA-N 435.597 4.849 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)n1 1520479024 FQHXORWYQWNUHE-UHFFFAOYSA-N 434.805 4.867 30 10 IJEE C=CCN(C(=O)[C@@H]1CCN(c2ccccc2)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1522119337 PDPWUINIKXZSGK-GOSISDBHSA-N 434.521 4.764 30 10 IJEE C/C(=C\C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1cccc(C(F)(F)F)c1 1524848524 PWDOSMMJYRILJW-RVDMUPIBSA-N 433.861 4.983 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)c1ccc(Br)cc1 1528088838 ROYGBFQJNRVBHP-IBGZPJMESA-N 441.350 4.518 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1 1529136166 MVHKQBRESLEPDM-BZSNNMDCSA-N 447.000 4.838 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)c1 1529725096 AMQUTLUMAHGRKV-MRXNPFEDSA-N 429.307 4.790 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 1537849309 TUQIPJHCSOLHIQ-GTNSWQLSSA-N 447.347 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1538994589 FUQMQPLYTHUGMC-NPPFBWRTSA-N 437.588 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCCC1 1539034625 HDQLJWNHEOCDPA-SFHVURJKSA-N 432.037 4.558 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1539125197 XCVLUTCQCDQCIP-IERDGZPVSA-N 442.535 4.588 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCC[C@@H]1OC 1539305267 VDPOPEAKTZXTDR-SFTDATJTSA-N 436.625 4.554 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H](c1cccs1)N(C)C 1539563080 GBEFJPIYPSPOGI-ATIYNZHBSA-N 447.652 4.810 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(CC(C)C)C(C)C 1539620469 LKGGZCSLEXLXPT-WMZHIEFXSA-N 442.604 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCc1cccs1 1539637425 QLNOQXORTYBDTB-XXBNENTESA-N 440.588 4.730 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539846113 JOOVCLCGFNBIFV-HXUWFJFHSA-N 439.604 4.589 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1cccs1)c1ccccc1 1539940949 XPYTVRHGEFOPHL-FQEVSTJZSA-N 430.581 4.835 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CC[C@H]1C2 1539962774 CHFNCIHIQNQFRB-UFYCRDLUSA-N 429.609 4.738 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1Cc1cccc(C(F)(F)F)n1 1540088024 CNLZSIVTKFRFJK-UHFFFAOYSA-N 449.502 4.663 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)cc1 1540674275 LYFDDTJKZGKLNE-UHFFFAOYSA-N 445.401 4.535 30 10 IJEE C=CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1540922429 NURYNMGJZRTJSM-QFIPXVFZSA-N 443.642 4.628 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)C1 1541486570 HDXLKPNMNPTMBB-RBBKRZOGSA-N 432.572 4.585 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 1557129555 ABNRHFFTXIISIO-MRXNPFEDSA-N 449.436 4.970 30 10 IJEE C#CCC1(C(=O)N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)CCCCC1 1557523766 NQZKUDIZJKKPJP-SJORKVTESA-N 430.511 4.512 30 10 IJEE CCOc1cc(CNc2c(C#N)cnc3c(OC)cc(OC)cc23)ccc1OC(F)F 1559073506 BLNLFJKSLXETTR-UHFFFAOYSA-N 429.423 4.736 30 10 IJEE N#Cc1ccc(C2CCN(S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)CC2)cc1 1561973516 HDGBJNWTULJIFM-UHFFFAOYSA-N 428.863 4.799 30 10 IJEE C#Cc1cccc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 1562073909 HJSJFNARJFEWDA-UHFFFAOYSA-N 446.532 4.654 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCOc1ccc(I)cc1 1562691986 RSZRQAUEAFBPJH-UHFFFAOYSA-N 436.293 4.610 30 10 IJEE C#C[C@@H](NC(=O)N1CCN([C@H](CC)c2ccccc2)CC1)c1ccc(Br)cc1 1564999249 IRAPXRKOJQXEAB-FGZHOGPDSA-N 440.385 4.602 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnn(CC(C)C)c1)c1ccc2c(c1)OCCO2 1565656220 SWCYQGSEUIPEHQ-UHFFFAOYSA-N 447.535 4.722 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1565803570 LQDKBDBKILRXGA-MZYLBHOOSA-N 443.632 4.748 30 10 IJEE C#C[C@](C)(CC)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1569253292 AEEWBBYHOYLGPJ-RUZDIDTESA-N 436.939 4.761 30 10 IJEE CN(C)c1cc(C#N)cc(C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1 1583388739 CMAKXZSTMXMGNB-UHFFFAOYSA-N 448.567 4.991 30 10 IJEE C#CCCCCCC(=O)N1C[C@@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1585080236 QRDWJFAGHKENCL-NHCUHLMSSA-N 440.584 4.727 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 1587165698 YIWCMJBMGQHADL-QHAWAJNXSA-N 431.454 4.915 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(c2ccsc2)CC1 1588993515 KHNWYADMZCWHSX-UHFFFAOYSA-N 438.622 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCC(C)(C)COC 1589171326 AYTDFLGBQCJQIE-XMMPIXPASA-N 446.542 4.991 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1589662803 BSXLCFIKQFOURA-RBUKOAKNSA-N 433.641 4.915 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1593695354 DIHBZYKIRLSDNE-WSTZPKSXSA-N 448.995 4.668 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1593717314 DFAULLJAXRUCRP-HXUWFJFHSA-N 444.023 4.503 30 10 IJEE C=C(Cl)Cn1c(N(C)C[C@@H]2CC=CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593932744 OQDKHILRLRWALM-KURKYZTESA-N 436.000 4.594 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC=CCC1 1595211616 FPEOBGADUMABBO-FQEVSTJZSA-N 441.620 4.927 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1595878626 QNXMLSMTRGMZDG-YADHBBJMSA-N 447.693 4.531 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 1597958617 PTHOUDAFPSCHBD-NRFANRHFSA-N 440.515 4.849 30 10 IJEE C=CCN(C(=O)c1cc(-c2cccc(Cl)c2)on1)[C@@H](Cc1ccccc1)C(=O)OCC 1616305246 FDNGGDVTNSRJEB-NRFANRHFSA-N 438.911 4.798 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1618708379 SRAJHWMYCKMHDL-WBVHZDCISA-N 437.590 4.700 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccc(Cl)cc1F 1623603476 BXQDUOYHMMYMRF-QGZVFWFLSA-N 425.895 4.853 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](CC)C(=O)OC(C)(C)C 1625542380 JPNKTGSSJDBAOF-CYBMUJFWSA-N 427.339 4.503 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCCOc3ccccc3-c3ccccc3)n[nH]2)c1C 1626940462 IHZGTNVQKKGFQU-UHFFFAOYSA-N 441.535 4.552 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)CCCN1C(=O)OC(C)(C)C 1629082855 VOYLMVVAAVUKPB-VWLOTQADSA-N 425.573 4.654 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@H]1CCCc2ccccc21 1629247414 BSWLSRCRTRZULS-UUOWRZLLSA-N 430.552 4.754 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 1631195080 OVZCAYYDWHVOGS-CVEARBPZSA-N 436.396 4.630 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 1634390026 WGCQDOBBJLGLKQ-HSZRJFAPSA-N 434.561 4.973 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1634393501 WJUJZDYNFCMCSV-INIZCTEOSA-N 439.364 4.975 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(cccc2C(F)(F)F)C1)c1ccc(Br)cc1 1636563151 TYHMGIRSWQSJEL-SFHVURJKSA-N 437.259 4.910 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1638664527 RYRYFWNLKIPKEW-FQEVSTJZSA-N 441.528 4.897 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 1639938880 KCRCQFAWRLOFCX-LBPRGKRZSA-N 433.814 4.821 30 10 IJEE N#CC(CCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1 1642024883 HLMQPJRQJRCBGU-RUZDIDTESA-N 442.538 4.921 30 10 IJEE C=CCn1c(SC[C@@H]2CCCN(C(=O)C(C)(C)C)C2)nnc1-c1cccc(OC)c1 1643757713 POAOEFHJADCRCC-QGZVFWFLSA-N 428.602 4.517 30 10 IJEE C=CC1(CC(=O)N(Cc2nc3ccccc3s2)C2CC2)CN(C(=O)OC(C)(C)C)C1 1644958229 FMMZTEQWFGFTQA-UHFFFAOYSA-N 427.570 4.601 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nc3ccc(Br)cc3n2CC)cc1OC 1650914820 KKYITMXSFTVRBM-UHFFFAOYSA-N 430.302 4.644 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(c3ccccc3)CC2)n(-c2ccc(F)cc2)c1C 1652274795 GHBXNQQTTJOLLE-UHFFFAOYSA-N 430.527 4.923 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)CCCC(C)C)nc2sc3c(c2c1=O)CCCC3 1652458847 RKIRMRUOMOZYSO-INIZCTEOSA-N 447.670 4.946 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)cc1Cl 1654066930 CVHBXAMBSHERTC-GOSISDBHSA-N 447.944 4.830 30 10 IJEE C=CCCC(C)(C)NS(=O)(=O)c1c(Br)cc(C)cc1Br 1656143830 HAPAYWQPXCOFFM-UHFFFAOYSA-N 425.186 4.543 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccnc(O[C@H](C)CC(C)C)c1 1656509543 WWTHKIAJBODBDZ-QGZVFWFLSA-N 431.374 4.959 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NCCc1cc(Br)ccc1SC 1658618906 IAJLEEMPAZBCQU-UHFFFAOYSA-N 434.359 4.806 30 10 IJEE C=CCN(CCc1ccccc1)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 1659167438 SEJFLGQTCSDDJF-UHFFFAOYSA-N 425.573 4.567 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1659646934 FPXHXWBLRCUIHI-NRFANRHFSA-N 449.039 4.853 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(Br)ccc1OCC 1663454222 JNTUASKGERNGQH-UHFFFAOYSA-N 440.359 4.546 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](NC(=O)Nc1ccnc(C#N)c1)CC(C)(C)O2 1663858120 AIVWMGDTVUGIGP-SFHVURJKSA-N 437.500 4.724 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1667060929 IKXXGJVRZMDWBQ-OEMYIYORSA-N 433.618 4.513 30 10 IJEE CNC(=O)N(C)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 1667513928 ADPQURPZJZVZIB-UHFFFAOYSA-N 433.443 4.909 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1cccnc1)C1CCCC1)c1ccc(Br)cc1 1674030378 FIRUIJODNGFZJB-RTWAWAEBSA-N 426.358 4.619 30 10 IJEE C=C[C@H](CO)NC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1676132956 YWNFIMFBUBTAPK-GGAORHGYSA-N 425.532 4.813 30 10 IJEE Cc1cc(F)c(C(F)(F)F)cc1NC(=O)NCc1ccnc(OCC(F)(F)F)c1 1678207074 DUBOBZLHXPBAPM-UHFFFAOYSA-N 425.304 4.811 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1 1678246065 KWZREZGWGOSYRI-AREMUKBSSA-N 438.506 4.911 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C 1682445649 NUUSDKOUYOGQOO-QFIPXVFZSA-N 439.556 4.554 30 10 IJEE C#CCN(C(=O)NCC1C[C@@H]2CC[C@H](C1)S2)[C@@H]1CCOc2ccc(Br)cc21 1684097025 OQKVIEPAHHOKIP-KTWXZFIHSA-N 449.414 4.592 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCOC1 1689880212 VMGPEZBPMGHPRO-GOSISDBHSA-N 445.405 4.682 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(N(CC)CC)CC1 1689913560 QGJWGHQTCVUMFG-QFIPXVFZSA-N 437.632 4.759 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@@H](F)C1 1689950818 CEGIZQMWCXVUIG-TZMCWYRMSA-N 425.733 4.569 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NC(C)(C)C 1690258815 VFZCPTDFRLGRML-UHFFFAOYSA-N 443.661 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(OC)CCC(C)CC1 1690259444 JQJLTRUOAZDJQU-UHFFFAOYSA-N 442.604 4.960 30 10 IJEE C=C(Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690326074 RFPPEPGCSOXJGJ-HYBUGGRVSA-N 446.542 4.514 30 10 IJEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1690328306 JKDOMTUYYUCAAF-NAZJXLNTSA-N 438.016 4.911 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1690430310 IBVJGALQPHODAN-QGZVFWFLSA-N 431.625 4.887 30 10 IJEE C=CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC)c1ccccc1 1690441604 CACMBOVZRKHFJB-KRWDZBQOSA-N 428.378 4.862 30 10 IJEE C=CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1690444162 BQUBHSWCGFKXHG-HSZRJFAPSA-N 431.584 4.953 30 10 IJEE C=CC[C@@H](Cn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C)c1ccccc1 1690447516 QREGPSUJCAFIIG-REWPJTCUSA-N 432.616 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(C(=O)NCC)cc1 1690518358 GSCUFFHCRQQRDG-UHFFFAOYSA-N 449.624 4.696 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCN(C)CC(F)(F)F 1690571624 DKVDCQKCAQFZQS-UHFFFAOYSA-N 441.517 4.693 30 10 IJEE Cc1nccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1693381297 AWVYFXVXVQFXCM-IBGZPJMESA-N 431.588 4.817 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1705515511 GBFLYRSWYIMXKX-QGZVFWFLSA-N 438.469 4.770 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCO[C@H]1CCCC[C@@H]1C 1705591034 DCXHTFQXPJVQBY-UNMCSNQZSA-N 430.552 4.750 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCC=CO1 1705593944 ZAIMDCQZCHJSHQ-DEOSSOPVSA-N 432.568 4.526 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1705655444 DBBASKGKHIRUDX-OAQYLSRUSA-N 437.638 4.980 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CC(C)C 1705693541 HTSPECWYTKJLBI-IFMALSPDSA-N 439.604 4.611 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](OC)C(C)(C)C)CC1 1705772249 PPLZJVRYGOOEMS-HXUWFJFHSA-N 430.618 4.797 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705788992 VBFPPJBJHSFXGX-SANMLTNESA-N 435.616 4.704 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCN1CCC[C@@H](C)C1 1705864743 LGQLKYZYQFTBMF-HXUWFJFHSA-N 427.612 4.930 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(COC)cc1 1722281341 MZVHPVYRGKVMKT-SFHVURJKSA-N 434.609 4.928 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1722282508 NQNZEBWOMRLHRV-JXFKEZNVSA-N 444.526 4.634 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)CCOC 1722467648 UZOOHCARZGGWMT-HOYKHHGWSA-N 428.552 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCC(F)(F)C1 1722499156 FDPIQWXKQFYXAH-QGZVFWFLSA-N 425.568 4.815 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(F)cc1F 1722509080 LOAGPSIZVVUASV-AVRDEDQJSA-N 444.551 4.826 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1SC 1722509368 OTNKHGUBBKCFPQ-URVUXULASA-N 442.629 4.859 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCCCC[C@H]21 1722519192 NUVCEOSPXTXSHV-UYAOXDASSA-N 427.980 4.597 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[C@H]2OC)CC1 1722560878 FWYASEGFRODYMM-HUUCEWRRSA-N 437.407 4.741 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCCC(=O)NC 1722585647 DOVUKVMEZIDDBB-KRWDZBQOSA-N 443.661 4.696 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCCCC1 1722627066 KUHCHOQLKJRNIF-FQEVSTJZSA-N 447.624 4.712 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC1=CCCCC1 1722639135 ZRBDBOIJAHEGLA-UHFFFAOYSA-N 432.572 4.749 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1c(F)cccc1N1CCCC1 1722645087 ZWFNNGJYFRCEFS-XMSQKQJNSA-N 441.595 4.607 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1sc(C)nc1C)C1CC1 1722647677 YARMZXDDUMNLCI-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC=CO1 1722661319 APYLAOSGUFVJMI-IBGZPJMESA-N 437.525 4.800 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2ncc(CC)s2)C1 1722715060 MVEFNCUQCBKUQL-SFHVURJKSA-N 444.004 4.641 30 10 IJEE CO[C@H](Cn1c(-c2cccnc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C(C)(C)C 1729874737 DNEAASYQWNHHIS-HSZRJFAPSA-N 442.567 4.567 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(C)(C)C)CC1 1740568775 PEFGPGWKEWMVMT-UHFFFAOYSA-N 439.673 5.000 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccnc(SCC)c1 1740601604 XFFSTSGSGMAXKM-MRXNPFEDSA-N 441.988 4.696 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CC(O)(CC)CC)C1CC1 1740906373 FZMHQHGHQLSBPD-UHFFFAOYSA-N 433.394 4.722 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1740944714 FNEOKCREKHMPHU-UHFFFAOYSA-N 425.577 4.577 30 10 IJEE CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCC(C)CC2)C1 1741489756 APFZJKFWVFFIKE-GMAHTHKFSA-N 434.632 4.810 30 10 IJEE Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2C)s1 1742620271 HQSMQEFKNOIZOC-APWZRJJASA-N 436.585 4.566 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccsc1Br 1748659059 ALSAHFTYJVVHGD-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@@H]1CC 1748684327 HEZLXRLSOMGFIP-OKZBNKHCSA-N 445.405 4.904 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1748755268 INEYGHQLYRKMMS-UHFFFAOYSA-N 443.636 4.650 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1749023475 SNTKNQRPWRZNCY-OAHLLOKOSA-N 433.419 4.654 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1SC 1749129517 FASMWYLRGXSWDY-ONTIZHBOSA-N 442.629 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1ccc(Cl)cc1 1749132034 XJYBFEMOTGBGEB-FCEUIQTBSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1749163956 VMBFCBRCBFQFBX-UHFFFAOYSA-N 441.567 4.573 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1749356866 ASJRYPJWZHDRLM-QUCCMNQESA-N 441.620 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749357076 IPKQNMKKOOGWBG-QMHKHESXSA-N 448.970 4.724 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 1749385236 PFFWPJQUYGQWIG-SGIRGMQISA-N 444.627 4.543 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749393547 ZHSCIEBGJMGHRV-UHFFFAOYSA-N 445.011 4.585 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1749429395 LGISPNMFEBIQHJ-JOCHJYFZSA-N 438.620 4.624 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1749560924 DJTAAPGOFZQVLS-MRXNPFEDSA-N 431.968 4.690 30 10 IJEE CS[C@H](C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1750229958 GTDBDFNWJBBMFA-CVEARBPZSA-N 434.009 4.953 30 10 IJEE Fc1ccc(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC2CC2)cc1 1750374683 GUFVDVSBWXTJTN-UHFFFAOYSA-N 436.375 4.739 30 10 IJEE CC(C)(C)c1nc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cs1 1751276967 GRKJTHLOJFSKLS-FDDCHVKYSA-N 442.633 4.646 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nc(C(F)(F)F)cs1 1760100053 QGNYCJLAVARQSQ-HNNXBMFYSA-N 445.514 4.730 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(OC2CCC(C)CC2)CC1 1760283032 ZHWXUGGIVRFBLA-UHFFFAOYSA-N 432.678 4.797 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1760352369 WFSIUROAXLUVRT-QGZVFWFLSA-N 429.590 4.964 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1C(C)(C)C)c1ccccc1 1760420469 PKPAWZGXZWKVCW-NHCUHLMSSA-N 439.604 4.650 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1Cc1cnc(C)s1 1760480387 TYKMMLZREHDMCV-UHFFFAOYSA-N 446.605 4.808 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCC[C@H](C)C1 1760482142 BWXIBVQZDDWVKZ-GOTSBHOMSA-N 444.627 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1cc(F)cc(F)c1 1760490808 KEUDYGZYNBGSGL-UHFFFAOYSA-N 448.315 4.735 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(C)CC2)C1 1760538685 GJXQDNJAIBMSAZ-KRWDZBQOSA-N 431.378 4.597 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2)cs1 1764637679 BHIBEKQEWSLHPF-IBGZPJMESA-N 438.626 4.758 30 10 IJEE CCOC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1765747212 GFQHIBOWABRAER-UZUQRXQVSA-N 429.540 4.502 30 10 IJEE CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCCC2(F)F)cc1OC 1765967602 AAXHQGMAPXGVEX-FUHWJXTLSA-N 447.530 4.774 30 10 IJEE CCc1ccc(C=NNc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 1772721236 YLEXFMXMHPMRQP-UHFFFAOYSA-N 440.594 4.603 30 10 IJEE COc1cc(/C=C2/SC(=Nc3nccs3)N(c3ccccc3)C2=O)cc(OC)c1O 1772736083 RSIXDVBENATKBS-LVTLTCAPSA-N 439.518 4.675 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2)nc1 1858282048 XKAVLKJKMNDYCZ-UHFFFAOYSA-N 441.274 4.773 30 10 IJEE CCOc1cc(OCC)cc(C(=O)NCc2ccc(OC(=O)c3cccc(C#N)c3)cc2)c1 1859033321 PMHBUZXKOQASSE-UHFFFAOYSA-N 444.487 4.505 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 1860603788 OHJMZMZPJARXFB-UHFFFAOYSA-N 425.488 4.841 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(Cl)ccc1Cl 1861765415 PBSUIEGYNXURAB-YLJYHZDGSA-N 443.415 4.826 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(O)c(OCC)c1 1862386344 LGOGBLIAAONKKK-IBGZPJMESA-N 448.302 4.862 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862408063 CWCNLCWLZLWISF-XDHUDOTRSA-N 448.563 4.763 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862421784 PMARRFOUBCYAQO-NRFANRHFSA-N 427.447 4.884 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC(C)C)cc1 1862431922 RPQYQBUGNUZDNP-NRFANRHFSA-N 443.927 4.742 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862462135 VHUIUXMZJYZKSR-HXUWFJFHSA-N 433.426 4.879 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862485168 ZXISXHHXOOJHDM-HSZRJFAPSA-N 435.520 4.923 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(Cl)cc2)c1 1862556788 FGSRZTZQSQDPQB-FQEVSTJZSA-N 438.936 4.805 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2F)cc1F 1862641491 UQAYVBMLLFCRNY-HXUWFJFHSA-N 431.410 4.633 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC3=CCCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862689643 VVHSODRLDFLVIK-QHCPKHFHSA-N 449.503 4.575 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CC)cc1OC 1862722416 ZVNVRVFIUHPWPS-HSZRJFAPSA-N 431.488 4.845 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccccc1Cl 1862725787 RWQUPOLWFVIPJJ-MWTRTKDXSA-N 447.918 4.966 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1C 1862885209 MXZMLNUUWAHBAT-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(Cc2ccco2)C1=O 1863288253 SICKDFOHWCQLQQ-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2F)C(=O)N(CCCc2ccccc2)C1=O 1863320876 HMVIRWRIJGMBSK-UHFFFAOYSA-N 443.453 4.661 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)CCCCCNC(=O)C(C)(C)C)c1 1866168763 MEOLBRWSZNSCKB-UHFFFAOYSA-N 433.552 4.759 30 10 IJEE CC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866779518 FVBXDXBYULVKHJ-PKTZIBPZSA-N 447.485 4.892 30 10 IJEE CCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)C1 1871352350 CBNKOKXNGKAKNC-NDENLUEZSA-N 439.508 4.589 30 10 IJEE COc1ccc(CCOc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871448335 PEZOTIYTTKGQAN-CFRMEGHHSA-N 430.456 4.970 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1872289116 RGZSLYVFOSRDLS-RUZDIDTESA-N 448.588 4.871 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872501356 XDZBSKCQXXLEFE-HNNXBMFYSA-N 441.380 4.814 30 10 IJEE COc1ccc(OC)c(-c2csc([C@H](C#N)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c1 1872771116 MLUDKKJCQVZZBC-JHTBKMLMSA-N 435.461 4.625 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(-c3ccccc3C)cc2)cc2c(NCCOC)ncnc21 1873603697 MZPAMBOKHSMJGL-UHFFFAOYSA-N 441.535 4.903 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c(NCCCOCC)ncnc21 1873605043 GPOQSFFMIIDHBO-UHFFFAOYSA-N 447.461 4.727 30 10 IJEE CCCOc1cccc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SCC)c1 1874292955 UUERDKRGGRCTLX-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(CC)cc1 1874372842 USVYAWKEGSOOCL-HZHRSRAPSA-N 442.610 4.615 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1C 1874456329 MBNKTOWTLUUMLI-LFVJCYFKSA-N 427.618 4.867 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2)c1C 1874464568 QKPXZHHCGSLJPY-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccccc1F 1874477514 CNFRDYIUPRGNID-ZVHZXABRSA-N 425.533 4.681 30 10 IJEE CCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(Br)ccc1O 1874522176 GKPBFFDHCLFSFP-SRZZPIQSSA-N 431.359 4.792 30 10 IJEE CCCOC(=O)COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC 1874594938 LKBBIGRKUQHQQR-VQHVLOKHSA-N 433.298 4.686 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)ccc1OC(=O)c1cnccn1 1875166511 KMVCOPVHVHKSJU-RMKNXTFCSA-N 432.476 4.616 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 1892792328 DEFCMZXPPARACH-GBXCKJPGSA-N 427.545 4.739 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)c1sccc1S(C)(=O)=O 1912432654 VSJSMHPWGOHTPB-AWEZNQCLSA-N 426.947 4.811 30 10 IJEE CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2csc(-c3ccc(Cl)cc3)n2)cc1 2040461430 PKXJYPQXYOBAKN-UHFFFAOYSA-N 432.954 4.610 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2053044558 QQVJRHXMBGALDG-OPAMFIHVSA-N 448.568 4.901 30 10 IJEE CN[C@]1(C#N)C[C@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC2(CCC2)C1 2063638147 OYQLQTVPIWRLAS-IXCJQBJRSA-N 430.640 4.825 30 10 IJEE N#Cc1c([C@@H]2CCOC2)nn(Cc2ccc(C(F)(F)F)cc2Br)c1Cl 2080291871 MUQYCOHOOLYKLH-SNVBAGLBSA-N 434.643 4.742 30 10 IJEE COc1ccc(C#CCCO)c(CN(CCN(C)Cc2ccccc2)Cc2ccccc2)c1 2095885685 RGNXGYSLHYURIL-UHFFFAOYSA-N 442.603 4.563 30 10 IJEE Cc1cc(C#N)c(Nc2ccc(I)c(Br)c2)nc1C 2099243540 YBBMUVBYFIVVAJ-UHFFFAOYSA-N 428.071 4.681 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2ccc(Br)cc2C#N)C1 2106103146 AZYFFXPJZOYKCV-ZDUSSCGKSA-N 430.293 4.625 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CNc1ccc(C#N)c(Br)c1F)CC(F)(F)F 2117336726 BSDPEAMXGGFTAT-SNVBAGLBSA-N 440.235 4.717 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1C)NCCC 2159126360 UIOKDAIWVUHVDN-WOJBJXKFSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](Nc2cc(Br)c(C#N)cc2F)C12CCC2 2175030872 BLZZHXJVPOMOMC-DYVFJYSZSA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(Br)ccc1C#N 2181138902 HCMKDOGHIVIJLJ-CZUORRHYSA-N 436.350 4.733 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2cc(Br)ccc2C#N)cc1 2181146591 NLQPQGORXXFGJV-UHFFFAOYSA-N 430.302 4.944 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CC 2224265684 INEHBFKTJRJLJO-RHSMWYFYSA-N 429.403 4.566 30 10 IJEE C=CCN(CC[C@H](NCC)c1ccc(Br)cc1OC)C(=O)OC(C)(C)C 2231157624 HQDFAEJYJMGTNR-KRWDZBQOSA-N 427.383 4.922 30 10 IJEE CCc1ccc(C#C[C@@H](O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231158819 SZLLRRCBEORYMO-NAKRPHOHSA-N 449.591 4.805 30 10 IJEE Cc1ccc(C#CC(=O)c2ccc(Br)cc2I)cc1 2231213152 GDXHRCKWTSTMPG-UHFFFAOYSA-N 425.063 4.597 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1cccc(C)c1I 2235728384 RQBJYXARNJKMLS-INIZCTEOSA-N 440.122 4.674 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)s1 2247807515 WTYJNYVZWLYXHR-QGZVFWFLSA-N 425.403 4.797 30 10 IJEE C=C([C@@](C)(OCCN)c1cc(Br)c(Br)s1)[Si](C)(C)C 2277204113 INVJCZLUAFFRRU-CYBMUJFWSA-N 427.278 4.897 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@@H](O)C#Cc2ccc(Br)cc2)s1 2278801945 PBORSKDAYUJKEH-HNNXBMFYSA-N 437.359 4.598 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C 2296288129 CINNMNRIQQHYHQ-FHWLQOOXSA-N 439.369 4.516 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 2296299022 QFOYYQKNTYWSNP-JXFKEZNVSA-N 435.406 4.957 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2296340265 ACDKQLKLIDXAQU-JOCHJYFZSA-N 444.443 4.538 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1 2296593686 JDMVZAGZZJSUHH-QHCPKHFHSA-N 427.456 4.524 30 10 IJEE CCN[C@@H](C#C[C@H]1CC1(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2317315159 GFWXCMIFTQLOBL-GOTSBHOMSA-N 439.644 4.574 30 10 IJEE N#Cc1cccc(C(=O)OC[C@@H]2CCCN(C(=O)C=Cc3ccc(Cl)cc3Cl)C2)c1 2321386103 WKFDXDWFBFLGGR-QGZVFWFLSA-N 443.330 4.974 30 10 IJEE COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc([N+](=O)[O-])cc1 2322312447 XEKZQIHAACJWKZ-UHFFFAOYSA-N 434.404 4.987 30 10 IJEE Cc1c2c(cc3c1OC(=CC=Cc1ccccc1)C3=O)CN(CCCn1ccnc1)CO2 2322373879 HFGLGBUICFSNQX-UHFFFAOYSA-N 427.504 4.606 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)OC(=Cc2ccc(Cl)cc2)C3=O)C1 2322401767 QFNBNAWHORZGPC-UHFFFAOYSA-N 426.944 4.758 30 10 IJEE CCc1ccccc1NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2323186750 AUIYCYWFSLUDQC-UHFFFAOYSA-N 443.499 4.934 30 10 IJEE CCN(CC)C(=O)COc1cccc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)c1 2323279834 WKLHNKNXEIPCNQ-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(ccc(OC(=O)c4cccc(F)c4)c3C)C2=O)c1 2323290877 LXNWLCOVHGWHOA-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccncc2)C3=O)cc1 2323887749 YKZMJGXHESXDCF-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE COc1ccc(C)cc1NC(=O)C(=O)C=Cc1ccc(OCc2ccccc2)c(OC)c1 2325651750 KQJKEVLZQGLFMI-UHFFFAOYSA-N 431.488 4.812 30 10 IJEE CCOc1cc(C=Nn2cnnc2SCc2cccc3ccccc23)cc([N+](=O)[O-])c1O 2326632888 HQAMLLOOKZZGFB-UHFFFAOYSA-N 449.492 4.618 30 10 IJEE CCCOc1ccc(C=Nn2c(Cc3cccc4ccccc34)nnc2SCCO)cc1 2327797694 NPOUGHYFCWBIMO-UHFFFAOYSA-N 446.576 4.778 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1c(F)cccc1Cl 2330881171 KRVSDCPQLQICFT-UHFFFAOYSA-N 426.945 4.587 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)CCOC)c(OC)c2)cc1 2331293843 JGRVQNZNPZVGNE-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2339578435 GZEDJITUAOGPKP-LYIQQWBISA-N 441.381 4.536 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369739906 ZSMJKIFADIKAPC-AREMUKBSSA-N 448.460 4.637 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@]2(C)N 2381193478 ZNFIZTHOTVLKIX-UGCQDJOBSA-N 434.378 4.990 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCC)cc2)S/C1=N/c1cccc(Cl)c1 2729876 NXJWSEOLSHJINB-FOFUNRBPSA-N 443.956 4.885 30 10 IJEE C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)C(=O)C1CCCC1 4455025 GEQFWOQDJOTJHN-UHFFFAOYSA-N 428.573 4.929 30 10 IJEE Cc1cc(OCC(=O)NC(=S)Nc2cccc(C#N)c2)c(C(C)C)cc1Br 12499953 OQRCQBQYJJWCJB-UHFFFAOYSA-N 446.370 4.645 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2ccccc2)=C(/S)Nc2ccc3c(c2)OCCO3)cc1 28649114 UGGBNGPTPIAEMY-UHFFFAOYSA-O 433.553 4.749 30 10 IJEE N#CCCN(Cc1ccccc1)C(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1 36563654 BFYOKNIAHXMVTQ-LJQANCHMSA-N 443.341 4.563 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4cc(OC)cc(OC)c4)c3C)C2=O)cc1 41292719 DLGLUVQJHWWZRM-KSEXSDGBSA-N 446.455 4.856 30 10 IJEE CCC[C@H](C#N)C(=O)Nc1c(Br)cc(Br)cc1Br 44814385 HIFUKOHAXQFGAS-SSDOTTSWSA-N 438.945 4.852 30 10 IJEE N#C[C@H](C(=O)c1ccccc1I)c1ccccc1Br 55333446 SIOARJBMQZBAJZ-LBPRGKRZSA-N 426.051 4.544 30 10 IJEE C=CCN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1cccc([N+](=O)[O-])c1 63288247 GZGONIFSIVTUPF-UHFFFAOYSA-N 438.709 4.637 30 10 IJEE COCCc1nc2sc3c(c2c(=O)n1Cc1cccc(C#N)c1)CC[C@@H](C(C)(C)C)C3 96528065 ZYUMEZUQRDLUCQ-GOSISDBHSA-N 435.593 4.718 30 10 IJEE CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N/c1ccc(Cl)c(Cl)c1 101591410 BZDAXNYSRSFCJQ-JOJWKMGHSA-N 426.300 4.723 30 10 IJEE COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccc(C(C)(C)C)cc1 169939144 OTCZBHZEYYNNFY-HSZRJFAPSA-N 438.593 4.954 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2OC)c(C)c1 169939477 MBCBYWNVWIEGNH-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccnc1)c1cccc(Cl)c1 170012140 BFUWSRWGICJPRP-OAQYLSRUSA-N 436.870 4.695 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccncc1 170018874 YAPUBASRFDGQLB-HXUWFJFHSA-N 449.850 4.735 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)c1 170051612 BMBSTNNFMBIGAY-QFIPXVFZSA-N 445.446 4.704 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 170063783 KBHJXCLQEDQURL-NRFANRHFSA-N 439.389 4.895 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2F)c1 170071282 DDFBZJUUAOPNHX-QHCPKHFHSA-N 442.446 4.879 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccco2)c1 170096095 WRTZHWLYOOIVBV-HSZRJFAPSA-N 442.471 4.591 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2C2CCCC2)cc1 170129786 TUONFXSTTJGJSW-HSZRJFAPSA-N 429.520 4.755 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(O)cc2)c1 170132278 HJZSUZKRFXZKTC-QHCPKHFHSA-N 445.471 4.670 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccs2)cc1OC 170155735 OPQIFZQQGRNUDU-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2cccnc2)ccc1Cl 170184709 XEIOBFBVBSQKDU-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccncc2)cc1C 170197939 GBSLKHWZDATCGQ-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCC2)c1 170218610 VUJWCZZUTWMZEQ-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)c1 170230930 JQDJCPZKWGXCHY-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)c(OCC)c1 170283599 VNJVPDKURRNDAJ-QFIPXVFZSA-N 449.459 4.566 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1C(C)C 170292538 WLCUEDHICCXLMX-QHCPKHFHSA-N 446.503 4.975 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1 170328578 WKAXHDBLXJMNGO-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C(=O)OC)c2)cc1 170392294 LVPNMUIXKCQWIF-OAQYLSRUSA-N 447.512 4.880 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2c(C)[nH]c3ccccc23)cc1 170403952 ZZWNIHPLZOYHRT-QHCPKHFHSA-N 439.471 4.663 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 170410088 OWEYQJCUHXLEBX-DEOSSOPVSA-N 443.499 4.525 30 10 IJEE CC(C)CCC[C@]1(C)CCc2c(O)c(C(=O)CCC3=CC(=O)C=CC3=O)cc(O)c2O1 198711954 CFUHXWZFOLVVDB-RUZDIDTESA-N 426.509 4.605 30 10 IJEE COc1cc(C=NOCC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)cc1 254838402 LSDGMVNKTSYDPM-LAUBAEHRSA-N 444.959 4.973 30 10 IJEE CC(C)CCC[C@@H](C)[C@H]1CC[C@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO 256299618 JBBOTAYOANLXIB-RTDALELCSA-N 434.661 4.901 30 10 IJEE N#Cc1cc(F)c(Nc2ccc(Br)c(I)c2)c(F)c1 311722636 MMQXHSPWWDLDLE-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCC[C@H]1c1ccnn1C 439500293 WRHUAKXVNPWAQI-DEOSSOPVSA-N 429.524 4.938 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC2(CCOCC2)c2ccccc21 460383250 HGPXPVYPCNNYQO-UHFFFAOYSA-N 446.551 4.738 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 502992680 QSEYLFOWGIULMZ-QHCPKHFHSA-N 430.451 4.744 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c(OC)c1 518890467 IVXKYIPHHDYHEF-UHFFFAOYSA-N 449.576 4.727 30 10 IJEE C[C@H](N[C@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 540422136 BJBJMTOMJLRTKQ-KGLIPLIRSA-N 427.545 4.714 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2ccc(F)c(C)c2)C1 555249676 WWHAXOLDESBDTP-GOTSBHOMSA-N 434.515 4.556 30 10 IJEE CCOc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2cc(C)cc(C)c2)cc1 586303481 KVMNOMGNTUQCLP-UHFFFAOYSA-N 434.517 4.610 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccccc2)cc1 619820790 KPHOEGNRFFLCOH-RXFWQSSRSA-N 445.567 4.995 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1 698892040 QLFRRERSEJPCPE-UHFFFAOYSA-N 431.533 4.730 30 10 IJEE COc1ccc(-c2cc(C(=O)NCc3ccc(C#N)cc3F)c3ccccc3n2)cc1OC 729835379 MCRGEBNIMVPFND-UHFFFAOYSA-N 441.462 4.860 30 10 IJEE N#CCOc1ccc(Cl)cc1CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 735305198 RXGXCUUDLGKQBX-UHFFFAOYSA-N 430.888 4.777 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccc(Cl)c4cccnc34)c2)s1 740506991 GMHYJCMDLNTXFE-UHFFFAOYSA-N 446.919 4.743 30 10 IJEE CCS(=O)(=O)c1c(Cl)cccc1/C=C1\CCc2ncc(C(F)(F)F)cc2C1=O 777467838 NQTZDQIQTGDRGV-DHZHZOJOSA-N 429.847 4.760 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(C(=O)OC)o1 781107801 KQQDUQDILXIYNI-WEVVVXLNSA-N 449.434 4.951 30 10 IJEE C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)NC(=O)c1ccc(C(C)(C)C#N)cc1 796809397 BVYXHVPXJKJMSH-GFCCVEGCSA-N 425.337 4.615 30 10 IJEE C#C[C@H](NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl)C(C)(C)C 813774677 JSJGETFQSZKNMT-LBPRGKRZSA-N 433.808 4.957 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccco2)nc2ccccc12)c1nc(C(=O)OCC)cs1 920242347 GCQVQXUUTMJWIG-UHFFFAOYSA-N 433.489 4.961 30 10 IJEE COCOC(C)(C)C#C[C@@H](O)[C@H](C)[C@H]1CC[C@H]2[C@H](OC(=O)c3ccccc3)CCC[C@]21C 1084293993 KZCGXVQSDRGSNX-JZBUWSDWSA-N 442.596 4.828 30 10 IJEE O=C(OCCCCSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1)c1ccccc1 1084356135 OEUVFGRQMWXAHU-UHFFFAOYSA-N 429.933 4.633 30 10 IJEE CC(=NNc1nc(SCc2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(Br)cc1 1084394900 OHAUWEXJTIYRQG-UHFFFAOYSA-N 447.318 4.604 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)C2)c(F)c1 1124161989 DOFIWJWSQUNUPX-OAHLLOKOSA-N 426.904 4.939 30 10 IJEE Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1 1126461330 GMNWBVOAGXFDGZ-UNWVZKJWSA-N 435.955 4.668 30 10 IJEE C=CCN(C(=O)c1cc(F)cc(Br)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1128003070 HAHFFTCFMOLUJH-HXUWFJFHSA-N 448.332 4.699 30 10 IJEE C=CCN(C(=O)c1ccc(-c2csc(C)n2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003247 KHZQZYGPYADETC-QHCPKHFHSA-N 434.561 4.921 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2=CCCCC2)c1 1129452556 OMXLOGAVQAIPOQ-UHFFFAOYSA-N 444.984 4.952 30 10 IJEE N#Cc1cnc(C(=O)N2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)c(Cl)c1 1129568649 HKWMIYDIWIRYPF-LBPRGKRZSA-N 449.711 4.528 30 10 IJEE C=CCCC[C@@H](C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1ccccc1 1136543821 BRJKWLSVOZYUIG-JOCHJYFZSA-N 432.568 4.516 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 1138264061 IRGUPNVVJJWVKX-FHLIZLRMSA-N 443.371 4.664 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC(Cc3cccc(Br)c3)C2)cc1OC 1150133309 KRUGDMDUCCDJPT-NTMALXAHSA-N 442.353 4.737 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccccc2N2CCCCC2)CCCN1C(=O)OC(C)(C)C 1152859184 CUNMUHJYUUDKKD-RUZDIDTESA-N 427.589 4.639 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 1184804937 AKUILMHQDKPOQD-UHFFFAOYSA-N 448.935 4.543 30 10 IJEE Cc1csc(-c2ccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)n1 1208622172 DWJTXEKNYTVCNJ-UHFFFAOYSA-N 425.579 4.837 30 10 IJEE COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2cc(C#N)ccc2C)c1 1211229469 BWKFGCYJFOBZKH-ILBGXUMGSA-N 432.545 4.795 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1)c1ccc(F)cc1 1214210243 POZZJOQHOHBWEU-QHCPKHFHSA-N 431.467 4.973 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C)[C@H]1CCOc2ccc(Br)cc21 1246754285 DCIVMHWYYJEDKK-CLWJZODNSA-N 433.390 4.990 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 1264043620 RSBYIAUXCXUSGP-VWLOTQADSA-N 447.556 4.955 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)c1 1264687711 GSIXCXJQDTVMSJ-UHFFFAOYSA-N 439.519 4.860 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CCC(=O)N(c4cccc(F)c4)C3)c2C#N)[C@H](C)C1 1273946218 GOOUEBQHNGKESF-ZNMIVQPWSA-N 425.529 4.826 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1278997159 AYNOGNBIGRHYPW-WMZHIEFXSA-N 446.657 4.636 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCC1(C)C 1286406211 SIVCNNPHHMTWLM-KRWDZBQOSA-N 425.374 4.607 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCCn1nc(C)cc1C 1286458357 RHRUQDUKSIVFHJ-UHFFFAOYSA-N 436.579 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(F)(F)F 1286560497 FKROQBDHHIQFMA-UZLBHIALSA-N 447.505 4.807 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C(C)C)CC2)CC1 1286645913 JDLRTMQDJLUYDW-FQEVSTJZSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1286656766 VMOQFAJHTIZLMM-GOSISDBHSA-N 436.991 4.921 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCO1 1286680292 BGWVFWWCWJBZSK-KRWDZBQOSA-N 436.398 4.787 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(N2CCCCC2)CC1 1286695401 WBEWXFXZEZRJPR-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1Cc2ccoc2CC(C)(C)C1 1286709091 MIILKFRBAOALGH-UHFFFAOYSA-N 431.540 4.591 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1Cc1cscc1C 1286742461 ZSBZGADRDKYZMX-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3sc(-c4ccc(OC)c(OC)c4)nc3C)cc21 1289390543 LKQNITFMOIWSIK-UHFFFAOYSA-N 434.521 4.924 30 10 IJEE Cc1nc(C)c(Cn2c(-c3cc4c(s3)CC[C@H](C)C4)nnc2N(C)[C@@H](C)CC#N)s1 1290373833 CCMUIAMNCXKXLY-KBPBESRZSA-N 440.642 4.991 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(Br)cc1N 1292642071 PRUHORALHCDVHD-UHFFFAOYSA-N 442.126 4.761 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 1294989982 AWBWOWJKLJKXDI-ILWGZMRPSA-N 425.552 4.740 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)S[C@@H](C)C1 1300393706 KAEYUVKZFHGZCP-STQMWFEESA-N 425.421 4.513 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCOC2(CCCCCC2)C1 1300884427 KLXUEJINSVZZHP-UNMCSNQZSA-N 430.637 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1300888156 IHEVMTSLUBZFQI-ONTIZHBOSA-N 443.661 4.915 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1300958561 HCTCSBJAQOFGKY-HXUWFJFHSA-N 445.405 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCN(C(C)C)CC1 1301155010 DAFZQXATIFTVAJ-UHFFFAOYSA-N 434.632 4.804 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(CC)s1 1301187667 AEOAXEBTYAOQJJ-HXUWFJFHSA-N 439.585 4.802 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H](SC)C(C)(C)C 1301411335 XVJGJOGBKLMVQJ-ICSRJNTNSA-N 432.634 4.778 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1301433072 JIXNOLGVEPKVDP-HOCLYGCPSA-N 444.885 4.642 30 10 IJEE C=CCc1cc(C(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)cc(OC)c1OC 1305682195 PDBVMCAYIDLOEG-UHFFFAOYSA-N 426.513 4.709 30 10 IJEE CC(C)Sc1c(Cl)cccc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1310348747 GFAHERQCMHNCQB-CZUORRHYSA-N 438.981 4.721 30 10 IJEE C#CCN(C(=O)N[C@H](CC)Cc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1311844555 GKNIRDQUKQVWHC-CTNGQTDRSA-N 441.369 4.939 30 10 IJEE Cc1nc(SCC(=O)OCc2cc(Cl)ccc2OC(F)F)c(C#N)c(C)c1C 1354087156 IBXCNZFCSLXJQS-UHFFFAOYSA-N 426.872 4.969 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)CC2=O)cc1 1356419312 CVGDZQGAEPBGOE-KRWDZBQOSA-N 431.879 4.996 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCc1csc(C(C)(C)C)n1 1358895211 FQBNMTPPDDTARR-LJQANCHMSA-N 435.641 4.908 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(OC)CC1 1358920852 JFZTUXFHJRJXMG-FDDCHVKYSA-N 430.980 4.880 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 1359090561 CRGOVWBSUHIENR-LSWJPFSZSA-N 426.605 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCc1ccncc1 1359108283 IABCGNQKPLCYQP-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCCN2CCC)CC1 1359166147 HRRZKVHQVGPNAG-IBGZPJMESA-N 429.559 4.568 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1359201922 DHQPLYRHPQYPIO-UHFFFAOYSA-N 435.616 4.953 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(C)(F)F)C1CC1 1359250198 DXIWOZJFCSGMRJ-UHFFFAOYSA-N 439.551 4.593 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)CN2CCCCC2)C1 1359315587 XHVCVQZVQZXFNT-UGKGYDQZSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1359341982 MBLKPSWRSMNUNT-UHFFFAOYSA-N 448.583 4.621 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 1437072386 SLHCINMVESTBPI-XJABCFGWSA-N 426.919 4.658 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 1448529740 FUIUAUVZRJREGD-IBGZPJMESA-N 431.964 4.887 30 10 IJEE CCc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C#N)c1 1459289591 HDEHZNUWHXPYQS-UHFFFAOYSA-N 438.119 4.663 30 10 IJEE COc1ccc([C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C2CC2)cc1 1459823972 GAHVZKFLDXJPKF-VWLOTQADSA-N 446.526 4.793 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1459980304 MIJOPDMKUSSTGK-FQEVSTJZSA-N 434.625 4.944 30 10 IJEE OC[C@@H](CNCc1c(F)cccc1OC(F)(F)F)Cc1ccc(OC(F)(F)F)cc1 1461331175 HPIRZBYJLVYAMF-CYBMUJFWSA-N 441.343 4.564 30 10 IJEE COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 1462742836 ARONULUMSCULMA-FQEVSTJZSA-N 438.471 4.892 30 10 IJEE Cc1cc(S(=O)(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)ccc1C#N 1463086908 AZTZLGMAXBEXED-UHFFFAOYSA-N 447.438 4.551 30 10 IJEE C#CCC1(NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)CCCCC1 1464619470 IPRWOUALQWNNOX-UHFFFAOYSA-N 428.501 4.833 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cnn([C@H](C)c3ccccc3)c2)cc1 1465398912 PQBXJSAPVRKFKW-LJQANCHMSA-N 429.524 4.951 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](F)C1 1468271731 RNKGPNUGRWHPBY-OPAMFIHVSA-N 442.918 4.607 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O)c1ccc(F)c(F)c1 1469857827 YLBLPNDKVTXMST-RTOPAQNCSA-N 445.485 4.773 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CCCn2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)nc21 1470340445 JJXVENFHBLUFNL-QGZVFWFLSA-N 440.544 4.615 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1)c1ccc(Cl)cc1F 1470664870 AMHFXNREPPFATM-NQIIRXRSSA-N 449.954 4.776 30 10 IJEE O=S(=O)(CCc1ccccc1F)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1475187212 DDETVBYRRPWCGY-OAHLLOKOSA-N 429.357 4.610 30 10 IJEE CCO[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1)C(C)C 1502603204 AHJBHUVDRXVPEY-QHCPKHFHSA-N 439.604 4.950 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2c[nH]c3ccccc23)n1CCCC(F)(F)F 1505324366 BURVQDLSJCYHGQ-UHFFFAOYSA-N 430.478 4.823 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1507576662 LRVWYYXNJOXIKQ-FQEVSTJZSA-N 447.549 4.631 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(C)CCCS1 1507662345 ILQRUNPCSQTSNE-UUOWRZLLSA-N 438.666 4.880 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1507838121 ZYEBDWWEKLVFRA-ROUUACIJSA-N 431.378 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1507916589 BWEULXDWQGFNPD-UHFFFAOYSA-N 441.595 4.571 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1507932879 BQBFLWXHYGVPDZ-CRAIPNDOSA-N 426.458 4.520 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1508038869 ULNVWFLPJLHGJL-UNMCSNQZSA-N 426.605 4.734 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Sc2ccccc2)C1 1508123540 CPNBTUIQARSDAJ-UYAOXDASSA-N 440.638 4.893 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2sccc2C)C1 1508126272 HDUNIBAOECZHNQ-OAQYLSRUSA-N 438.597 4.559 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCSC(C)C)cc1OC 1516270096 BWOFXUVEMRPQDQ-QHCPKHFHSA-N 443.617 4.624 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)c2ccc(CC#N)cc2)C1 1521001658 HLKVMVVTOWKLDU-QHCPKHFHSA-N 433.552 4.795 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CC[C@H](CC)C3)nn1 1523119571 DFKIJBNQHXFBAP-AWEZNQCLSA-N 430.574 4.638 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CCCN1C(=O)OC(C)(C)C 1526567448 LQTLBYAVCZENIF-QHCPKHFHSA-N 438.553 4.966 30 10 IJEE N#Cc1cccc2c1CCN2C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1536855905 CIVBJRCRCVAMAE-UHFFFAOYSA-N 446.304 4.776 30 10 IJEE Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)sc2ccc(C#N)cc12 1537459530 CXMBROYKECXJCS-FPOVZHCZSA-N 439.968 4.537 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1537467695 YXQGWEJUWRFTSZ-UHFFFAOYSA-N 447.000 4.814 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OCCC(C)C)cc2F)CCCN1C(=O)OC(C)(C)C 1537764017 KTKBBIDGWUQOPT-DEOSSOPVSA-N 432.536 4.982 30 10 IJEE C#CCN1CCC(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1 1538377427 BVMGQVXDWGRSQG-UHFFFAOYSA-N 431.305 4.664 30 10 IJEE C=CCN(C(=O)c1ccc(N(C)c2ccccc2)nc1)[C@H](Cc1ccccc1)C(=O)OCC 1538618398 IEDKBKXJDPQVBQ-XMMPIXPASA-N 443.547 4.652 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1CCC(C)CC1 1539004127 RTXBDEQSRGAYHV-OAQYLSRUSA-N 446.599 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCCC1(C)C 1539034678 HKQSAHRULSCYOA-ZHRRBRCNSA-N 433.021 4.623 30 10 IJEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)=C(Br)C1 1539052957 WUKZWQWHIVWDLJ-UHFFFAOYSA-N 444.333 4.536 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(Br)c(C)cc2C)CCCN1C(=O)OC(C)(C)C 1539061981 WFIDAZHQAKBMAY-NRFANRHFSA-N 435.362 4.797 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCc1sc(C)nc1C 1539382715 OWDSTTKSDRMZRO-UHFFFAOYSA-N 425.627 4.654 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CCCN1C(=O)OC(C)(C)C 1539390622 VGUSTYZQBJBVNQ-NVQXNPDNSA-N 443.632 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](OC)C(C)C 1539546832 NIRHBSOZAISGCE-JYFHCDHNSA-N 448.567 4.780 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCSC(C)(C)C1 1539622139 DQRVKZNUJPXPAB-VQIMIIECSA-N 433.021 4.912 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccoc1 1539729165 GSGJOLBHSDORBJ-UHFFFAOYSA-N 431.334 4.530 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1539898496 URKHDPXQLCLPLD-DEOSSOPVSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccccc2C)CC1 1539916187 HVPMORXVYMUDIN-QHCPKHFHSA-N 437.632 4.753 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(NC(C)=O)cc1 1540056772 UEHSRKRKYIEDJV-UHFFFAOYSA-N 435.597 4.904 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CSCCS1 1540135964 DRNIDXMPPHUZRZ-UYAOXDASSA-N 448.633 4.700 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CCCCC2)C1 1540885649 MZLVSIDFJUXXSB-QHCPKHFHSA-N 449.599 4.585 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H](O)c2cccc(Br)c2)cc1F 1544842949 BKUAXPCYJDNKHM-FQEVSTJZSA-N 441.256 4.924 30 10 IJEE CCC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)OC 1546906047 DHWBRCINFDLULN-JOCHJYFZSA-N 449.555 4.581 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C#N)CC1 1546922923 GKSWZARJMFIQFC-UHFFFAOYSA-N 432.572 4.565 30 10 IJEE C=C(C)[C@H](NC(=O)/C=C\c1cc(Br)c(O)c(OC)c1)c1ccc(F)c(F)c1 1556261460 KUROOHAIDJCHNI-OCTSTCLRSA-N 438.268 4.888 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(OCc4cccnc4)c(OCC)c3)cc21 1558615022 MWMJPDLLYBMEIB-UHFFFAOYSA-N 428.492 4.847 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3Cc4c(C)cccc4N3C(=O)OC(C)(C)C)cc21 1558615286 WJUWYARLJHVQKY-QFIPXVFZSA-N 432.524 4.836 30 10 IJEE C#CCOCCSC1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1cccc(OC)c1 1559310206 VCKQCAOJSYMFOT-KQWNVCNZSA-N 434.561 4.945 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 1562329625 BNVQCPRONFALKA-HXUWFJFHSA-N 439.556 4.899 30 10 IJEE C[C@@H](Oc1cccnc1NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1 1562660138 HDAVUXOQSNMKKE-LJQANCHMSA-N 441.535 4.884 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1nc2c(OCC(F)(F)F)cccc2s1 1563366545 ZNUPEMCGRZNQST-UHFFFAOYSA-N 435.427 4.571 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 1568549335 XRCFSQLBVGJDMY-UHFFFAOYSA-N 436.987 4.832 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl 1587563784 FZQIZNSMOIGNSQ-UHFFFAOYSA-N 427.888 4.942 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCO[C@H](C)C1 1588481876 MUNLWCXNKKUIKR-RTWAWAEBSA-N 447.558 4.633 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1589316420 BOEJUPIHKULSRA-QZTJIDSGSA-N 449.393 4.502 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)CC[C@@H]1C 1589495009 OYRLJNYLDAWRGT-GGXPGOJBSA-N 448.409 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1ccc(OC)cc1C(F)(F)F 1589669484 WTGDIQQDYCDKHD-UHFFFAOYSA-N 445.489 4.742 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1594024069 RLPJIIFPWIFTKN-IEBWSBKVSA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)C1CC1 1595033498 JOLPMQGEOLYCJF-QGZVFWFLSA-N 433.556 4.578 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CC1(C)C)C1CC1 1595054675 OTSOEJFWKPAGHK-GOSISDBHSA-N 429.609 4.594 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCCCC1)C1CC1 1595065738 WVQTWHWVWYFQOJ-UHFFFAOYSA-N 429.996 4.541 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCS1 1595076097 SWBIAKWSLMRXLD-NRFANRHFSA-N 435.597 4.745 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCN1CCC[C@H](C)C1 1595094057 LPVYKTVWSHZQDD-NRFANRHFSA-N 432.616 4.732 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCO[C@H](C)C1 1595141262 DHIVEXIRIYQYGP-WOIUINJBSA-N 428.552 4.667 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CN2CCCCCC2)CC1 1595330596 XYSSLMDGZVPTJY-UHFFFAOYSA-N 445.558 4.825 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CCOc1ccccc1C(C)(C)C 1617597151 DPEHBAFYIJOFTA-FQEVSTJZSA-N 437.584 4.639 30 10 IJEE C[C@@H](C#N)N(CC(=O)Nc1nc2ccc(F)cc2s1)Cc1cccc(C(F)(F)F)c1 1618725746 BPPPIWMFZJMFRR-LBPRGKRZSA-N 436.434 4.807 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(Nc4ccccc4C)CCCC3)n[nH]2)c1C 1624035758 AWTXDAUKJGPJGA-UHFFFAOYSA-N 432.572 4.539 30 10 IJEE C=CCC[C@H](NC(=O)c1ccccc1OCc1ccccc1Br)C(=O)OCC 1627752493 QAFUDEBULBJOSX-IBGZPJMESA-N 446.341 4.656 30 10 IJEE C=CCCCCCCNC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 1635026025 LPFYBQPFNNBYOT-UHFFFAOYSA-N 425.529 4.680 30 10 IJEE C=CCCCCCCNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 1635113708 LUEWXPOENLMQBT-INIZCTEOSA-N 437.300 4.937 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3nc(C)c(C)[nH]3)cc2)nnc1-c1ccco1 1643673809 KCIYXYBXAPOTSD-UHFFFAOYSA-N 448.552 4.852 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F 1655025617 RXGCQGHTEIXRFN-UHFFFAOYSA-N 435.851 4.937 30 10 IJEE N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1ccc(OC(F)(F)F)cc1 1656179914 DNQUBPMPJMWNHF-UHFFFAOYSA-N 444.438 4.979 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1ccc(Cl)cn1 1657158608 VFTQZWALKZHIBZ-GFCCVEGCSA-N 426.717 4.652 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 1662577095 IXZRRHNDDPSQSQ-SFHVURJKSA-N 436.325 4.577 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(F)cc(F)cc1OC)c1ccc(C(F)(F)F)cc1 1662980526 BZJMFADELZRBJM-INIZCTEOSA-N 435.414 4.978 30 10 IJEE Cc1cc(NC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c(C#N)cc1N(C)C 1670675183 AYVVSBMYAGGKGF-KDURUIRLSA-N 433.600 4.732 30 10 IJEE C#CC[C@@H](NC(=O)N1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1)c1ccccc1 1670721880 NEYQPBSZCZSVBD-OAQYLSRUSA-N 435.524 4.702 30 10 IJEE C=CCC1(NC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)CCCCC1 1672484925 OFIKWYPWOLOOQZ-UHFFFAOYSA-N 449.617 4.660 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1)c1ccc(Cl)cc1 1674020563 NKNRDTDMCSAPSK-HXUWFJFHSA-N 426.948 4.719 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)c(F)c1 1678171049 JNCPSXSOYKWMDZ-FCHUYYIVSA-N 449.929 4.608 30 10 IJEE C#CCN(C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1683097210 ZHJGTHFDTJHYMN-ONTIZHBOSA-N 425.573 4.545 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 1683106736 LXCXGXIMLWDUOD-HSZRJFAPSA-N 446.620 4.825 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1)c1ccc(Cl)cc1F 1683688786 HOHQBAWNFZJJDZ-OXJNMPFZSA-N 437.906 4.528 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)c2cccc(-c3ccc(OC(C)C)cc3)c2)C1 1685266658 GAPHEMZXMBUVHJ-PXDATVDWSA-N 433.596 4.941 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](COCC)C1 1689880167 SXZABFVWYMRWCB-SFHVURJKSA-N 445.405 4.764 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C(CC)CC)N(C)C 1690088508 NRSXQUKVTCGDDV-QFIPXVFZSA-N 427.612 4.721 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCCC)cc1 1690198349 LBHKMTJGGVLVLF-XMMPIXPASA-N 435.959 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1Cc1ccc(COCC(F)(F)F)cc1 1690204285 FPPBMYAPOZFETO-JOCHJYFZSA-N 432.490 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNC(=O)C(C)(C)C 1690256825 XGZBOAHXXYLZAE-FQEVSTJZSA-N 441.620 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCN1c2ccccc2C[C@@H]1C 1690259201 AMVYFWLYLKAYGR-SFHVURJKSA-N 436.991 4.847 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOCC1CC1)c1ccccc1 1690325851 KDEZKSNHMKPMHS-DHIUTWEWSA-N 438.616 4.773 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](COCC)C1 1690328262 IEEBNWCONRGBEC-HOTGVXAUSA-N 425.360 4.687 30 10 IJEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(SCC)c2)CC1 1690415048 VGEPVBJJIDYWSP-UHFFFAOYSA-N 436.629 4.702 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1690445017 QABRBXNTDAFKLR-OALUTQOASA-N 432.490 4.841 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1690509565 ADZINSXFTWJZMD-WIYYLYMNSA-N 437.613 4.609 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1690560223 QQKVKRPDODAHJZ-TZRRMPRUSA-N 447.583 4.565 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccccc1Cl)N(C)C 1690591108 HYFFLXLXULSVNY-QFIPXVFZSA-N 436.991 4.783 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)o1 1693049092 HVKRQKYVGCXCPE-TZIWHRDSSA-N 425.577 4.818 30 10 IJEE CCOc1cc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@H](C)C#N)ccc1OC(F)F 1696105023 CYSKADHVBOVXJO-OAHLLOKOSA-N 435.519 4.511 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@@H](C)C1 1705604218 HYCDGFBCZJVBJG-SLFFLAALSA-N 445.007 4.963 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCCCCC[C@H]21 1705739664 MQBXDELGQJACHV-PZJWPPBQSA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705787794 FBNYVNVIYXFCMG-OAQYLSRUSA-N 442.604 4.816 30 10 IJEE C=CCCOCCn1c(C2CC2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1705829035 FMAMDFRPNJYIEQ-IBGZPJMESA-N 437.371 4.633 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1Cc1ccc(OC)cc1F 1705868494 PTHBSZGYHAGTTQ-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1CC1CC(F)(F)C1 1705868575 STNDWVABDIWVMX-UHFFFAOYSA-N 435.569 4.933 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCC(C)(C)C)C1 1705921490 SYIUAOWKCWMCCQ-LJQANCHMSA-N 428.577 4.570 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2C[C@H]3CC[C@H]2C3)cc1 1710533824 GLSYZFNDWQCQIO-HGJUEJDCSA-N 437.588 4.849 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C)c1nccs1 1711670968 DMVAPWBBEGEXNU-KBPBESRZSA-N 430.965 4.606 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](CC=C)c1ccccc1 1722276396 DRUIOXIENVUAHP-WMZOPIPTSA-N 438.373 4.854 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCc1ccc(Cl)s1 1722378860 SLSNYXWNJTYJOL-UHFFFAOYSA-N 431.952 4.524 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)Oc1ccc(Cl)cc1 1722415936 GCYNQXXMIYXQHK-DUXKGJEZSA-N 445.007 4.777 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CC1CC1 1722495640 HXEQKZQYSHKBRD-LPHOPBHVSA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCCCCCC1 1722510351 RDZBXMRJARVVFT-MBSDFSHPSA-N 430.543 4.899 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1722547370 GLBGAMGRFCZISV-KXBFYZLASA-N 430.961 4.734 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2csc(C)c2)CC1 1722571998 IVYOQBOEAFUKLF-IBGZPJMESA-N 443.617 4.925 30 10 IJEE C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722597570 NZYVUDMZMWZBFC-OAQYLSRUSA-N 428.577 4.570 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](CCOC)C1 1722613491 YTARFIPIDALBPQ-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1722621539 XLIXMFVFVKGWDC-WOJBJXKFSA-N 428.552 4.605 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1Cc1ccsc1 1722656136 WOPNFCFVABQGNT-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@H]1C 1722690936 NOOVLWPXQASCGL-WCIQWLHISA-N 429.609 4.663 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(F)(F)CC1 1722734969 LMCNOMQIHBSHGJ-UHFFFAOYSA-N 429.540 4.956 30 10 IJEE CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@@H](F)C2)cc1 1722892023 GOPQTNXNJZOXQS-YJLYGGOZSA-N 443.542 4.735 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCCc1nc2c(s1)CCCC2 1740550331 HVCMCEHGLXZQDK-IBGZPJMESA-N 433.625 4.603 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(Cl)s1 1740583001 KTGXWTTXVXENTE-UHFFFAOYSA-N 438.782 4.800 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740605207 ROWOUANMQWTKHO-ZHRRBRCNSA-N 434.415 4.832 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1oc(CC)nc1C 1740674612 NRGDHDZCKKWAFF-UHFFFAOYSA-N 448.354 4.531 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](CC)C1 1740740268 AFZANVUECCXELY-LLVKDONJSA-N 446.212 4.914 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1740746957 SNKMSIKODBAPSC-INIZCTEOSA-N 428.378 4.741 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC(C)(C)C1 1740753514 KWVDQSWFPLXPON-QAPCUYQASA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740760007 NKTUVBXNKZFBEU-NWSQWKLXSA-N 445.007 4.689 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)c1ccccc1 1740853458 DHWHFESKWICBSH-GOTSBHOMSA-N 444.583 4.505 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1740855091 LIAXOJDPXBGOFS-ILBGXUMGSA-N 445.611 4.877 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@H]1C 1740891681 GUGJSRFVDWWVCC-RTBURBONSA-N 432.012 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC1(O)CCC1 1740924511 UYPVNCPPZSVNMI-WOJBJXKFSA-N 444.645 4.756 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCc2ccccc21 1740924938 GNOJDFGTZDYKPS-NVQXNPDNSA-N 436.600 4.617 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@H](C(C)C)C1 1741006572 MICJIWQEMNVPLG-CEXWTWQISA-N 438.707 4.694 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CCCO)CC1 1748735292 OQCAUVFALDAHDO-GOSISDBHSA-N 426.630 4.534 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(C)(C)CCOC 1748828336 CKKALEVVAYBSDB-UHFFFAOYSA-N 447.608 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1748876685 PFLUXOKKLUTVJX-QFIPXVFZSA-N 436.987 4.943 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCCOC2)C1 1749257108 JJLMKJHKVPDDJK-QGZVFWFLSA-N 443.798 4.529 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)CN2CCCCC2)CC1 1749304919 ACUIKVNJLCROLJ-FQEVSTJZSA-N 428.024 4.801 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCOCC(F)(F)C(F)F)CC1 1749335515 RINIIVZPGYXUBK-UHFFFAOYSA-N 446.876 4.918 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCC(C)CC2)CC1 1749343672 OQBVZOHVXNBNLL-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 1749373179 GQPNVDLQXFVBLB-HXUWFJFHSA-N 437.632 4.725 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1749408486 KFLKXRRRJJMPMZ-YPAWHYETSA-N 429.653 4.618 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C)CC1 1749460984 LEUOQVAALAIUKM-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCC[C@@H]1C 1749465063 MACVQHVCTOZIQL-OALUTQOASA-N 432.012 4.795 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)C1CCCCC1 1749473464 IXVBMTPTGFYMDP-LJQANCHMSA-N 439.423 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C 1749531608 NQXDCUUHUXUMOV-PPJWLVRDSA-N 449.599 4.600 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C)C(C)(C)C1 1749689501 KFBGJFOBEQPAKS-FQEVSTJZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC)C1CCCCC1 1749756125 SOOFRZFGFSNGLX-OAQYLSRUSA-N 428.602 4.869 30 10 IJEE CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1752503224 GKJYNWWKSIFDQP-UHFFFAOYSA-N 425.577 4.559 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCC[C@H]1CC 1760101823 VXBBIAXAFRCVCI-NHCUHLMSSA-N 430.600 4.524 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCCN1CCCC[C@@H]1C 1760125389 YUJUMRAPDNJKBE-PMACEKPBSA-N 444.023 4.623 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1760133955 VMKFQOQCMUVPKZ-RBUKOAKNSA-N 442.629 4.876 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1760138594 CDMPXJHBPSETFM-QFIPXVFZSA-N 440.035 4.638 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1760150282 XQIIEGRHFJGXAM-SFHVURJKSA-N 437.956 4.523 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1760289972 UKUVHGOKFZSISV-CUVLDTKSSA-N 440.563 4.897 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[S@@](=O)C(C)(C)C 1760291371 MNQYSHKFSUCCJB-OOWIMERYSA-N 440.657 4.782 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](OCC(C)C)C1 1760343334 NUTIUHWFGUKQAM-NRFANRHFSA-N 436.556 4.945 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC2(C)C)CC1 1760387747 VBSWCVAWVFCKSV-OALUTQOASA-N 429.609 4.595 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2CCOCC2)CC1 1760399740 UUTCOCAGEVBRPZ-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1760403398 QMZKVXXIBULSGZ-OYRHEFFESA-N 439.623 4.778 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(CN(C)CC)c2)CC1 1760404411 DUXICWULPWKAKG-UHFFFAOYSA-N 435.641 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCOCC2(CC2)C1 1760409201 NELLKLANLXKYLN-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760422534 JSBCIUMQNUOVOR-FQEVSTJZSA-N 444.023 4.503 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)CC1 1760431637 XHVPCQOXZRFICT-DEOSSOPVSA-N 425.577 4.509 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H]2CCC[C@@H]21)C(C)C 1760487852 FVXZFOZDBGOQFU-YFNKSVMNSA-N 434.632 4.808 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](Oc3ccccn3)C2)cc1 1760529430 GGAVXNUIJYHIGO-QFIPXVFZSA-N 447.583 4.533 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2Cc2c(F)cccc2SC)C1 1760550135 SNWHOWPCGDFZOC-GOSISDBHSA-N 430.593 4.701 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCCS2)C1 1760550379 XOHHOSPKTUHSKL-IFMALSPDSA-N 442.629 4.541 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)COC)s1 1764595197 DQGKRBZPJYVXHE-WBVHZDCISA-N 438.601 4.624 30 10 IJEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4ccco4)n3)c2)C1 1772724498 YCZOWDHLPBNCQX-IYBDPMFKSA-N 444.582 4.516 30 10 IJEE CCCOc1ccc(/C=C/C(=O)C(=O)OCc2ccc(CN(CC)CC)cc2)cc1OC 1860738043 ZHXMWWATCREVIJ-WYMLVPIESA-N 439.552 4.652 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2cc(OC)ccc2OC)n(Cc2ccc(F)cc2)n1 1862351443 RCHQBGHDWJJXEG-UHFFFAOYSA-N 435.499 4.569 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(F)c1 1862430299 HSPFBPKAEAZSMJ-OAQYLSRUSA-N 444.934 4.789 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862436917 FHIRNWWKJMNZHH-LJQANCHMSA-N 444.871 4.722 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862462431 CLUNPVPZPBSSJK-OAQYLSRUSA-N 444.453 4.691 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(OC)c1 1862470748 VNKUANGUIDQWEJ-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862538497 IHLOSVFDBKBXRR-HXPMCKFVSA-N 434.319 4.515 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862556293 SNCYDSZYHDZOJG-QFIPXVFZSA-N 432.545 4.714 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(C)c2)cc1F 1862636633 KXOSRVLMKSHSRM-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1862660700 OZTUZZYNPZYQJN-DEOSSOPVSA-N 443.547 4.984 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccccc2C(=O)O)cc1 1862690969 GWEKYCDWNVFARQ-QPJICYPMSA-N 449.503 4.550 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2cc[nH]c2c1 1862714254 HSTXJZJTUVUWPE-DEOSSOPVSA-N 440.499 4.936 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C(C)C)ccc1O 1862717195 YGAGZKCGNVTNOK-QHCPKHFHSA-N 431.488 4.931 30 10 IJEE C=CCN1C(=O)C(Nc2cc([N+](=O)[O-])ccc2C)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863288267 TTWGZUFTCRJNRU-UHFFFAOYSA-N 432.263 4.588 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2)=C(c2ccc(OC(C)C)cc2)C1=O 1863356037 QLDFRHLJFPMFOW-UHFFFAOYSA-N 441.325 4.614 30 10 IJEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(CCCCN(C)C)C1=O 1863532640 UKOMERGUXDIEHJ-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(Br)cc(C#N)cc2Br)cc1C 1865930565 NLHGMBVKZFNJCF-UHFFFAOYSA-N 438.119 4.718 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1 1868957559 ABDLPPCHZLTLQC-NFBKMPQASA-N 426.507 4.582 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)nc(C(C)(C)C)n1 1869191431 ROZMJSLPNRZEHN-JOCHJYFZSA-N 435.591 4.511 30 10 IJEE CC(C)(C)c1ccc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)cc2)cc1 1870145967 YADFOFHIXIJUFD-UHFFFAOYSA-N 437.931 4.888 30 10 IJEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CNc1ccc(OCC)cc1 1871051208 OEGZXCXNPZNZJL-UHFFFAOYSA-N 434.536 4.675 30 10 IJEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1871232653 MQOZGKKRJTXHNC-UHFFFAOYSA-N 446.547 4.954 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccco1)O2 1871373346 BBPQJHBKSTUPIL-NVMNQCDNSA-N 425.780 4.985 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)CC(C)C)c3C)C2=O)c(OC)c1OC 1871386454 VSCCOTIKWFAMLQ-UNOMPAQXSA-N 426.465 4.589 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871407827 SFUVZDPLBMWARF-KSJDGYIASA-N 433.435 4.857 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 1871419517 JYEZOERRNMTZBZ-UUYOSTAYSA-N 433.891 4.960 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 1871432633 FHVCYSYSAJKJMA-GEYIUBJWSA-N 430.884 4.612 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)cc4)ccc3C2=O)c1OC 1871453543 DKKCCTBGHPGFEL-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871457269 XXUNTGUFQFLTCR-MSXFZWOLSA-N 445.471 4.646 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(CC)CC2)n1 1871526444 UUBVOJMTNSXNSA-UHFFFAOYSA-N 439.652 4.568 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2F)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871728164 PXJGDWFWRRJEHP-UHFFFAOYSA-N 440.526 4.542 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](C)CC)S(C)(=O)=O 1871855048 COUFTVAKZKRVOP-AVRDEDQJSA-N 430.570 4.670 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1)S(=O)(=O)C1CC1 1872273798 SAGAFCADAKVAAL-FQEVSTJZSA-N 436.936 4.529 30 10 IJEE COc1cc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccccc3OC)cs2)ccc1OC(C)=O 1872763286 IOLMUVSAPCOVTD-LNENJAERSA-N 448.500 4.642 30 10 IJEE COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(OC)c1OC 1872766894 LKJYYUOSXWWFIX-AWEZNQCLSA-N 430.432 4.604 30 10 IJEE Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872767505 TXVKOCGXCWCYMM-CQSZACIVSA-N 444.375 4.703 30 10 IJEE CCCc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872774660 YJMUHVHIKDJAAL-LJQANCHMSA-N 434.517 4.789 30 10 IJEE C=CCN(CC=C)CC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)c(C)s1 1872799558 IZTIZIIAQSBQSB-KRWDZBQOSA-N 430.371 4.731 30 10 IJEE CC(C)OC(=O)c1ccc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1 1872869665 MIBNONODCCTWCH-UHFFFAOYSA-N 428.488 4.632 30 10 IJEE Cc1ccccc1OCCCc1nnc(SCCO)n1/N=C/c1cccc2ccccc12 1874250799 WPPPEPVLHSQMPL-NLRVBDNBSA-N 446.576 4.718 30 10 IJEE CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccccc1OC(C)C 1874288380 BYJKYDLXZSLSGW-OEAKJJBVSA-N 426.542 4.647 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccnc1 1874313464 WAABUULCXYSWMY-JVWAILMASA-N 447.539 4.781 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccccn2)cc1 1874406538 MFXDTXUJYHVAEO-WGOQTCKBSA-N 448.596 4.717 30 10 IJEE Cc1ccccc1/C=N/n1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1 1874410621 CUPPVHVMTQPVKZ-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE O=C(CSc1nnc(-c2cccs2)n1/N=C/c1cccs1)Nc1ccccc1 1874420452 NCFQGEXDYDDDCG-UDWIEESQSA-N 425.564 4.681 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccccc2F)nnc1[C@@H]1CCCO1 1874445687 IPGFYBFIHNWPPS-RIDKEVFESA-N 432.908 4.802 30 10 IJEE OCCSc1nnc(C2CCC2)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874498841 SCJFIWDGSMKOEJ-ZVHZXABRSA-N 442.972 4.745 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1/N=C/c1ccc2c(c1)OCCO2 1874510067 DVNVPELBVJMXKQ-YDZHTSKRSA-N 428.945 4.830 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2/N=C/c2c(F)cccc2Cl)o1 1874519473 UVVDKHRDCJWMDK-AUEPDCJTSA-N 448.907 4.892 30 10 IJEE CCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874527106 WROIQZYNGUDKGK-FOKLQQMPSA-N 430.961 4.999 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 1874559231 DWNIAQAKHZDCMD-FSJBWODESA-N 430.961 4.988 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1 1875131132 JHFQIAVPQCBOQC-OQLLNIDSSA-N 432.472 4.974 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@]1(O)CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 1922047193 PMYCAGPETKKFKO-DRLORSAXSA-N 443.584 4.649 30 10 IJEE Cc1cc(C#N)ccc1[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 1951519388 XLECNUYMPRYNTO-LJQANCHMSA-N 440.499 4.964 30 10 IJEE CCCC#CC[C@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024383710 FYWJCWKTBQOTTP-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE C=C(c1ccccc1)[C@@H](NCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2076577579 AHDAAVBIUGOJMB-SHQCIBLASA-N 435.612 4.847 30 10 IJEE CCc1nn([C@@H](CC)c2ccc(C(C)C)cc2)c(I)c1C=NO 2079902276 AQYNSOZEJUPRIK-KRWDZBQOSA-N 425.314 4.981 30 10 IJEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)c4)c(C(F)(F)F)nn13)CCOC2 2081472673 XRWZATKMHLFWNZ-UHFFFAOYSA-N 435.299 4.654 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(Br)c1F 2089288651 JBBNXYCJYYERDE-PBHICJAKSA-N 431.321 4.685 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(Br)c(F)c2)NC)C1 2126684525 IRADDQTXOPQUAS-KRWDZBQOSA-N 427.358 4.580 30 10 IJEE C=C(COCCC)[C@H](NCC)c1ccc(Br)cc1I 2142277129 LWRQJOWBXRLQHI-HNNXBMFYSA-N 438.147 4.687 30 10 IJEE C=CCC1(NC(=O)c2cc(C)cc(Br)c2)CCN(C(=O)OC(C)(C)C)CC1 2174761528 QWEBBYYUXXKPGK-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE C=C[C@]1(Oc2cc(Br)nc(C(C)(C)C)n2)CCCN(C(=O)OC(C)(C)C)C1 2195074031 SQZRZODUVTWCBP-FQEVSTJZSA-N 440.382 4.871 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CCN2c1cc(Br)c(C#N)cc1F 2197340406 MQVVAZYBBWECIA-JLTOFOAXSA-N 438.341 4.734 30 10 IJEE CCN[C@H](C#Cc1ccc(CC)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223317279 CPWSEWYQWMXGFK-RPBOFIJWSA-N 436.596 4.689 30 10 IJEE Cc1cnc(OCc2ccccc2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232309109 FEBRCOFJFDVTFR-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](N)(C#Cc2ccccc2Br)C[C@@H]1C1CCC1 2235717000 AHZSHQRRDZRLFP-KNQAVFIVSA-N 433.390 4.698 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 2235730465 VEWMXKQDZZXKLZ-UEUGHCDMSA-N 435.406 4.862 30 10 IJEE Cc1cccc(CNC(=O)OC(C)(C)C)c1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2266000939 OSTFGURXVMDSBQ-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2267113245 QVDFYRIBGYWWLL-CSCWZEDUSA-N 439.405 4.701 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(F)c(F)c2Br)C1 2268028435 ROTWHTHPOSYZBO-UHFFFAOYSA-N 431.277 4.527 30 10 IJEE C=CC[C@@]1(COc2cc(N)c(Br)cn2)CCCCN1C(=O)OC(C)(C)C 2272236699 PTAWRJFZXNVAKB-IBGZPJMESA-N 426.355 4.541 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)cc(Br)c1F 2272721856 MTCIIPMVAXEKOP-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1cnc(NC(=O)OC(C)(C)C)s1 2278814940 YQVKYAYBRGCJAK-HNNXBMFYSA-N 436.375 4.955 30 10 IJEE C=CCCC1([C@H](Cc2ccc(F)c(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 2281043902 YBSNSIGNROJQOQ-SFHVURJKSA-N 441.385 4.922 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1 2282123666 XZWSJIQQXRKBKB-OAQYLSRUSA-N 449.400 4.504 30 10 IJEE CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccccc2Cl)C1=O 2294017405 KUUBPOCEZVGGSA-UHFFFAOYSA-N 430.869 4.792 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1ccoc1CNC(=O)OC(C)(C)C 2296220589 ZYRDXPZKZYHQBU-GOSISDBHSA-N 433.346 4.769 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](O)C#Cc3cccc(Br)c3)CCC[C@@H]12 2296233546 YMEFBCPFIHNKNQ-WOIUINJBSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)[C@]2(O)C#Cc1ccc(Br)cc1 2296271564 FYFSLIIUHBACSR-IXZPJTSHSA-N 434.374 4.635 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CCN(C(=O)OC(C)(C)C)C1CC1 2296297205 WKXPWTDLXBADMS-LJQANCHMSA-N 435.406 4.958 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Br)cc2)cc1 2296362873 GQWYFYDUNGREQR-HXUWFJFHSA-N 449.304 4.779 30 10 IJEE C[C@@H](CCS)CCOCc1ccc(I)c(Br)c1 2306304961 NVVGNBNRVLSIIB-SNVBAGLBSA-N 429.161 4.916 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Cl)c1 2314478352 SEGFRYLEENEUEY-HSZRJFAPSA-N 447.922 4.605 30 10 IJEE CC[C@@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317353595 INRMXLDFKVGTDF-SFHVURJKSA-N 432.370 4.751 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1N=Cc1ccccn1 2321359078 YNVJRZXUZVKJPS-UHFFFAOYSA-N 436.368 4.986 30 10 IJEE COc1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccccc3OC)C4=O)C2)cc1 2322305283 PVKHRQAOVJSKIW-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2cc(Cl)ccc2OC)cccc1OC 2323028624 HLYBUWODCNLXOT-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1ccc(C=CC(=O)c2cccc(Br)c2)cc1OCC(=O)OCC(C)C 2323097791 XCHVMXQAJFRMEC-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE CCCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccncc2)C3=O)c1 2323921650 WUNNOLVKCNBSJF-UHFFFAOYSA-N 443.455 4.931 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCc3nc(O)c4ccccc4n3)cc2)cc1F 2324107320 FETDVYVBZWCIFK-UHFFFAOYSA-N 430.435 4.958 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c1 2324690428 AFTFMFNISFOJOG-MRXNPFEDSA-N 426.444 4.995 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2325272105 VHHULGKWWXRTIM-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1)C2=O)Nc1nc2ccccc2s1 2325589813 ANBDVEWTFAROBM-UHFFFAOYSA-N 428.469 4.930 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(OC)cc1OC 2328904129 PAXAFJVOOWGJTF-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)NC2CCCCC2)cc1 2330854678 HCAZZTNUAUKMMM-UHFFFAOYSA-N 427.618 4.598 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)C(F)(F)F 2330894558 CLQCEYPCMZYRDL-UHFFFAOYSA-N 429.188 4.822 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccncc2)cc1 2331039555 PPJNGKSYBUUOCE-UHFFFAOYSA-N 434.569 4.506 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc1 2331382539 DWASPIBLUOASSM-UHFFFAOYSA-N 426.517 4.676 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 2331436057 CTRLHHWOGIHLLK-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE CCCOc1cccc(C=Nn2c(CCC)nnc2SCc2ccc(C(=O)OC)o2)c1 2331648928 ZJCAASXSJOKSOS-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(C=CC(=O)c3ccc(OC)cc3OC)cc2)c1 2331716914 NNJDBKWQAWJEFS-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339602389 JNNTYHOLTLQEAE-WXVNRZFOSA-N 443.397 4.608 30 10 IJEE CCN[C@H](C#Cc1nc(CC)cs1)c1csc(Br)c1Br 2363976678 NNIZQWBKKIDJPJ-LLVKDONJSA-N 434.222 4.994 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2OCc2ccc(Br)cc2F)OC1(C)C 2364943885 XZXDBUVBCFUZSQ-UHFFFAOYSA-N 442.521 4.515 30 10 IJEE COc1cc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2ccccc2C)ccc1O 6459941 ZBEKLAZLSRXWTC-CHFKYBQCSA-N 441.483 4.892 30 10 IJEE CCOc1ccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2c(C)nn(CC)c2C)cc1 32971749 HQQWXDDAMPKXBB-UHFFFAOYSA-N 447.583 4.933 30 10 IJEE O=S(=O)(c1ccc(-c2csc(N/N=C/c3ccccc3Cl)n2)cc1)N1CCCC1 33790505 OMIBRZVIKNZLGM-LPYMAVHISA-N 446.985 4.694 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c(OC)c1 34954227 KGTOWXSMUCZMIK-IZZDOVSWSA-N 432.428 4.548 30 10 IJEE Cc1ccc2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccc(F)cc4)c3O)oc2c1 38623984 QFKWXKZHKNYZHC-UHFFFAOYSA-N 430.435 4.515 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)NC)c2)cc1 100319677 SRNWHTPKJLASCS-UHFFFAOYSA-N 427.570 4.522 30 10 IJEE CCCC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(C2CCCCC2)C1=O 100984909 RLTONTBNHVZWDQ-JLUOLNIDSA-N 429.007 4.852 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1C 102736657 GPIRFCWEXVACIT-LCPUNJGISA-N 438.867 4.580 30 10 IJEE CCCOc1c(Br)cc(/C=N/NC(=S)Nc2ccccc2)cc1OCC 169884538 ZLLRYABAIGJZDZ-FYJGNVAPSA-N 436.375 4.957 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 169953773 YCWIXIXJSQCDGH-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)c1 169964386 HAHIAKKKRVSEAM-QHCPKHFHSA-N 447.462 4.709 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1ccncc1)c1c[nH]c2ccccc12 170022536 LTAMJLOUWGNUKG-OAQYLSRUSA-N 445.862 4.705 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]1c1ccco1 170092387 JZCGPNRBMNGGKE-LJQANCHMSA-N 427.815 4.864 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccccc1 170221854 LLMQZJPQYKWNST-NRFANRHFSA-N 435.501 4.544 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2F)c1 170248750 ICYMQXSDYULFHZ-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccc(O)c1 170262848 IMLUOAMMGLPBJL-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccco2)cc1Cl 170287914 JPUGHMFKEJPLLZ-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCO3)=C(O)C(=O)N1Cc1cccnc1 170317012 ISIYIDCYHSWEQO-NRFANRHFSA-N 446.528 4.555 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCC)c1 170324467 ZTPKJISABSKSOS-HSZRJFAPSA-N 433.504 4.565 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)cc1 170327162 ADGABGQMGMMINC-LJQANCHMSA-N 427.815 4.864 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 170438504 NYQBVPBUFHBULM-QFIPXVFZSA-N 437.536 4.995 30 10 IJEE Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CC[C@H](C)C[C@H]2C)c(=O)n(-c2ccccc2)n1C 253560749 BEVZORAWSZHCSW-JMNPKSFVSA-N 447.539 4.768 30 10 IJEE N#Cc1cc(Cl)nc(Nc2ccc(I)c(Br)c2)c1 302477953 YZTVISPDHICNEK-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C#CCN(C[C@H](Cc1c(F)ccc(Br)c1F)NCCC)C(=O)OC(C)(C)C 407410328 MHQPQJASCHXPBC-AWEZNQCLSA-N 445.348 4.508 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)c1cccnc1)c1ccc2c(c1)OCCO2 469256395 YQLSQFJYJDBHJJ-LJQANCHMSA-N 430.504 4.755 30 10 IJEE Cc1csc(NC2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)n1 474812296 PUKWJKXEEBDRHY-UHFFFAOYSA-N 448.596 4.562 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1noc(-c2ccc(OC)cc2)n1 481360368 SSVUDKIIPKJHKO-UHFFFAOYSA-N 449.536 4.702 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1)c1ccc(F)c(F)c1 483309515 OYSONHIISBNHSR-RXVVDRJESA-N 437.494 4.956 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@@H]3C[C@@H]12 504463669 YNCPTBSBAATVIL-GPUWNAPISA-N 429.004 4.776 30 10 IJEE biogenic C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 508866181 YYKVCYZRZSTCDI-UHFFFAOYSA-N 438.535 4.780 30 10 IJEE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2ccccc2C#N)[C@H]1c1ccc(C)o1 526607979 BBYOCBUOKXEPMO-QFIPXVFZSA-N 430.460 4.924 30 10 IJEE C=C(C)CN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C)c(C)c1 586212063 VFAPMTCEZYNAOR-UHFFFAOYSA-N 445.540 4.850 30 10 IJEE N#Cc1ccc(CNC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c(F)c1 609253185 RLMYHGKCPOLYOT-UHFFFAOYSA-N 439.494 4.609 30 10 IJEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC(c2nc(-c3ccccc3)no2)CC1 669808551 IBTNMKNBFWBXLE-UHFFFAOYSA-N 440.551 4.797 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 741536965 GSVCFINXEKYMPG-ZWKOTPCHSA-N 436.512 4.768 30 10 IJEE C/C(=C/C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1C(F)(F)F 745273684 QANXQPQPSOHJFD-BHWVZIDZSA-N 430.426 4.987 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1c(C)nn(-c2ccccc2)c1C 746490244 TUDUGLBZSFSVRN-UHFFFAOYSA-N 436.459 4.619 30 10 IJEE COc1ccc(CNC(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)c(Cl)c2)cc1C#N 747315532 NJOOQOSNGKNVBB-UHFFFAOYSA-N 444.322 4.998 30 10 IJEE COc1cccc(-c2nn(C(C)(C)C)cc2/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)c1 759664777 CBDBEUDGGYDCKU-NTMALXAHSA-N 431.492 4.541 30 10 IJEE CC(C)c1ccc(N2Cc3ccc(NC(=O)N4CCN(C5CC5)[C@@H](C#N)C4)cc3C2)cc1 772584944 DWHIWNQZBGPQFF-VWLOTQADSA-N 429.568 4.534 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1I 776092914 CQBPNYYDDVKZPM-SFHVURJKSA-N 446.288 4.672 30 10 IJEE N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1ccc(F)cc1F 786560781 CPDWRMFOPXXNEV-FUXXUDPSSA-N 442.771 4.589 30 10 IJEE Cc1cc(Br)c(O)c(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 786827475 VKCUONZXUYBIEN-UHFFFAOYSA-N 428.330 4.658 30 10 IJEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1C 792747571 AOMWWOXNNZIOAI-IFMALSPDSA-N 447.560 4.570 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)C1CCC(C)(C)CC1 812177480 HSJFELCHPDXEFK-UHFFFAOYSA-N 425.577 4.686 30 10 IJEE Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(Br)cc3)S2)c(C)c1 1084459287 YZPVDJHWMVDBPQ-QGZVFWFLSA-N 446.370 4.656 30 10 IJEE C=CCc1ccc(OC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c(OC)c1 1124102490 PGAFAJHTBWDLTG-UHFFFAOYSA-N 427.298 4.650 30 10 IJEE C=CCCC[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1 1124235290 HVDXUFBUZLKKST-QUPCICMCSA-N 434.561 4.979 30 10 IJEE C=CCC1(C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)CCCC1 1125465179 OSGVCSUUZQWFTB-UHFFFAOYSA-N 432.564 4.687 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 1125553122 AWXRBMGDYPZERH-UHFFFAOYSA-N 449.436 4.699 30 10 IJEE COc1cc(Br)c(Cl)cc1C(=O)Nc1cc(C#N)ccc1OC(F)F 1125798846 HDTMBTULLZNBPZ-UHFFFAOYSA-N 431.620 4.836 30 10 IJEE CCCn1c(=O)n(CCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccccc21 1126386247 FHSIVNNWLVCFOV-UHFFFAOYSA-N 444.560 4.520 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)cc1OC 1127430807 GHTSJJQGLUUMMB-HHMVEJHFSA-N 431.536 4.644 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)cc1OC 1128925185 ZVURRENRCFJKFB-ALCCZGGFSA-N 440.565 4.654 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)Nc3nn(CC(F)(F)F)cc3Cl)c2)c1 1130175157 CWUGHPZIEQGGBP-UHFFFAOYSA-N 434.805 4.802 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1143475083 YXFPPMHMLHZHTQ-OALUTQOASA-N 440.943 4.629 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)[C@H](C)c2cccc(C(F)(F)F)c2)c1 1146337181 WCMUONJLNUOYNV-MRXNPFEDSA-N 437.483 4.726 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)c1 1149634114 JIKUXHLCEXUQRE-AWEZNQCLSA-N 436.360 4.550 30 10 IJEE CC#CCCNC(=O)c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1152696717 DYRCFOUWZVDTJJ-UHFFFAOYSA-N 438.527 4.869 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)c2ccccc2NCc2ccccc2Cl)CC1 1166622361 DQEZNECUKLUOEX-UHFFFAOYSA-N 436.968 4.848 30 10 IJEE C=C[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1167008743 ZOVKXQMDYDVZIT-BZSNNMDCSA-N 426.479 4.508 30 10 IJEE C=CCn1c(SCC(=O)N2C[C@H]3CC[C@@H](C3)C2)nnc1-c1ccc(Cl)cc1Cl 1168067175 IBZXMCPOAXUDMY-KBPBESRZSA-N 437.396 4.789 30 10 IJEE C=CCC1(O)CCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)CC1 1178198956 TYMUXXAZVGJXTB-FQEVSTJZSA-N 448.332 4.638 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2(C)C)c1 1197051965 PDIZDGGKIDXIHL-FQEVSTJZSA-N 443.469 4.603 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1F 1265514557 FNUIANXGGKZIOL-INIZCTEOSA-N 433.414 4.620 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1269803346 LYQSVAAHUPDXIG-LHSJRXKWSA-N 425.356 4.964 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 1275165349 ADVIZKMJEZEAPN-UHFFFAOYSA-N 447.720 4.559 30 10 IJEE C#C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1ccccc1 1277180762 JLLKPNYXOYPNPO-GOSISDBHSA-N 425.257 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC1CC(OCC)C1 1286306403 UBNRRTUDSUENNT-MUYFXNHWSA-N 433.021 4.887 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H]1CC 1286317617 OBKQMJHYVVXOGN-QGZVFWFLSA-N 431.378 4.899 30 10 IJEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1286504715 VNTRONWIWWXBFO-QGZVFWFLSA-N 440.642 4.604 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1286508915 RRMYOGSYGPWOIK-OAQYLSRUSA-N 426.605 4.585 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1286527343 JEYXYBVACCGLHJ-DFCKQENNSA-N 436.600 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC(OCc2ccccc2)CC1 1286550100 ZCPBJPDJTIEXDC-SFLYRZDNSA-N 438.616 4.958 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286557517 IZFAFPAENIXRML-GNXKAVGDSA-N 426.580 4.790 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)c2ncc(C)s2)CC1 1286658942 DLQPHJGYTQRIEY-QGZVFWFLSA-N 437.613 4.849 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(=C)CC1 1286687444 NVSXHQKTAYOPIJ-UHFFFAOYSA-N 432.572 4.749 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286695193 QGFFZFBESOVFNS-RTBURBONSA-N 431.378 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCOC[C@H]1C 1286750351 YREVJADTUUPFFN-QUCCMNQESA-N 440.588 4.935 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1Cc1ccnc(SC)c1 1286762999 AJSSCGQPSDUAGL-UHFFFAOYSA-N 431.565 4.938 30 10 IJEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccnc2Oc2cccc(F)c2)o1 1289530699 DCCUQAZMMMHYJD-MRXNPFEDSA-N 446.486 4.817 30 10 IJEE CCCC(O)(CCC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1294012043 CXSTZIISXQKVCH-REHUZNOOSA-N 445.652 4.658 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CC[C@H](C)O1 1299073880 OSCHJWREMPUTDW-MHPIHPPYSA-N 448.563 4.544 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(F)(F)F)cc1C 1300286661 MCIJFEQITZKPSI-CQSZACIVSA-N 433.865 4.827 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(CCOCc2ccccc2)CC1 1300287022 SBIQJTRJUFOYOZ-IBGZPJMESA-N 449.986 4.839 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(COC)CC1 1300372794 LGJMEPOTNVJNBU-UHFFFAOYSA-N 433.021 4.890 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1ccsc1 1300602339 QHBGLMYYPRMUJD-ZHRRBRCNSA-N 444.988 4.500 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ccncc1Cl 1300637761 KCNNHYGFGDNXSE-UHFFFAOYSA-N 437.975 4.711 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCCC2(CC2)C1 1300980155 DQDVJEQGPMZMOM-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCCC[C@H]2C1 1300981404 ZUAIRHPCVXHYJV-UXHICEINSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301144156 XASJKBAXBHXEDD-QGZVFWFLSA-N 429.565 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301147095 ARWQLKDOTIEPLK-UHFFFAOYSA-N 427.618 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C)[C@H](OC)C1 1301159788 GIRMHJQWPYUPGP-SIKLNZKXSA-N 426.605 4.883 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1301160088 MAOYBMMYGNSSHI-QFIPXVFZSA-N 434.588 4.843 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](COCC)C1)c1ccccc1 1301165889 MCEUVAXTGCEHTE-GMAHTHKFSA-N 431.584 4.871 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)C(C)C 1301372395 LQBYATDOVGKHFM-XMMPIXPASA-N 437.613 4.962 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1Cc1cccnc1Oc1cccc(F)c1 1301405122 ALEVJOLVCPFINN-UHFFFAOYSA-N 433.487 4.789 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(CCC)CC2)C1 1301542854 RZFQCDNFRZHMQV-SFHVURJKSA-N 430.980 4.969 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Br)c(F)c1F 1302074022 RNZMODVZQLLMNX-CQSZACIVSA-N 447.320 4.593 30 10 IJEE Cc1cccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCCO[C@H]2C(C)C)n1 1304454069 FNLKFMIURRKDEJ-VWNXMTODSA-N 444.583 4.608 30 10 IJEE C[C@@H]1CCC[C@@H](N(CCC(=O)Nc2cccc(C#N)c2)Cc2ccc3c(c2)OCO3)[C@@H]1C 1307441371 DSVZTXNZLIAFBA-DNVFCKCGSA-N 433.552 4.942 30 10 IJEE C=CCn1cc(CNC(=O)NCc2cc(Cl)ccc2Oc2ccc(C)c(C)c2)nn1 1312898584 POKKNSKQMNWBDW-UHFFFAOYSA-N 425.920 4.526 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3)c3ccccc3)CC2=O)cc1Cl 1348887525 CENRNXWMSOAVAM-HXUWFJFHSA-N 429.907 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)c1ncc(C)s1 1358989963 VWFRSQXKNJNLDP-SFHVURJKSA-N 440.576 4.525 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](OC)[C@@H](C)CC 1359004167 MGGRNRKFVMZAKM-KXBFYZLASA-N 433.394 4.537 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H](c1cccnc1)C(C)C 1359071482 RCAOMSFJWZZZPZ-HFZDXXHNSA-N 449.549 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1359090556 CQCRKTGFJBXTAZ-RJSMDTJLSA-N 426.580 4.981 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCc2cc(Br)ccc2C1 1359090577 CWOBKTHDNFRDPG-AZUAARDMSA-N 445.405 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359102249 ZDEDSKNZXHAJHA-YZIUBNRHSA-N 448.533 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CC=CCC1 1359104687 FCNSESIKVPXOBA-BVAFDOMYSA-N 442.648 4.970 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1359109160 QYOZMUHDDHLDJI-IBGZPJMESA-N 435.538 4.794 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](OC)C(C)C)CC1 1359175564 RCHGKFKEHPYTRO-OAHLLOKOSA-N 439.423 4.843 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1359179976 MZJWPVOSACGQHO-XUZZJYLKSA-N 426.580 4.862 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nnc(C)s2)CC1 1359181973 NPJPZNROQPNNBS-UHFFFAOYSA-N 447.033 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1359182797 TXPJWHRCCQYALJ-PZJWPPBQSA-N 439.604 4.753 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1CCOc1cccc(C(F)(F)F)n1 1359258973 IMLDZZXMDMOBLD-UHFFFAOYSA-N 431.462 4.526 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(NC(=O)Cc2cccnc2)cc1 1435107463 FKFZXBKDGBRIQT-KRWDZBQOSA-N 430.533 4.767 30 10 IJEE C#C[C@@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1F 1436653962 XEQMSBCTZCXHFG-QGZVFWFLSA-N 432.680 4.532 30 10 IJEE C#CCN(C)C(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1447638139 AOYHHEHITIBQPK-SANMLTNESA-N 438.527 4.748 30 10 IJEE C#CCN(C(=O)CCCc1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1456452408 ZCIXPRFRUIGRDD-HXUWFJFHSA-N 430.317 4.897 30 10 IJEE C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(SC(F)(F)F)cc1 1458251086 HDNOLCXMCIYKMJ-BBRMVZONSA-N 434.439 4.827 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCCCC[C@H]3Cc3ccccc3Cl)cc2C1=O 1460482015 MYHLCUSHFZBDSF-IBGZPJMESA-N 436.939 4.750 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1)c1ccc(Cl)cc1 1460787017 HMNCIZKQARMTCW-GPXNEJASSA-N 438.955 4.529 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)C1 1461136154 VKVZPHODZODYCI-AWEZNQCLSA-N 441.314 4.670 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Br)cc1 1465402333 JFHQSFDWIRWJSJ-VQTJNVASSA-N 429.314 4.503 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](C)[C@H](OC)c3ccc(Br)cc3)cc2n1 1467353186 IWXOZQBJBZLFBW-XOBRGWDASA-N 443.345 4.883 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1 1472406906 HMMGSEWFIWCCQB-OALUTQOASA-N 432.609 4.594 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3cccc(Br)c3C)nnc12 1472913579 HLJGSZUEQIUZJY-UHFFFAOYSA-N 441.354 4.593 30 10 IJEE N#Cc1ccc(OC2CCN(CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c(F)c1 1473452885 BFYIIGDAMYYMLN-UHFFFAOYSA-N 429.495 4.846 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1507557790 BFGRCVHODLNRGN-UHFFFAOYSA-N 431.437 4.938 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1Cc1nc(C(C)C)cs1 1507701754 AMLHPRUHYLCFHZ-HXUWFJFHSA-N 439.560 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CC=C(C(F)(F)F)CC1 1507808444 QTLZBLDKTVFTFM-LPHOPBHVSA-N 438.519 4.610 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@@H](C)C1 1507813979 HVPLUKHDCWWZBL-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@H](c1cccs1)N(C)C 1507819467 ZMLQSDIFLSLGMH-LJQANCHMSA-N 425.602 4.721 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H](C)C#N 1507911458 LXGGIBDHDOKCMJ-OAHLLOKOSA-N 446.393 4.914 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507918243 DKNIDEWCEKNFDD-FCHUYYIVSA-N 439.648 4.995 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2ccccn2)CC1 1507944677 VSTBLZHVOBKXPY-UHFFFAOYSA-N 443.382 4.940 30 10 IJEE C=CCCCn1c([C@H](C)CC)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1507944678 UTSCJMDDTWVDFX-GOSISDBHSA-N 430.666 4.834 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](SC)C(C)(C)C)C1 1508115826 LWEBUAIVGXWVFM-DLBZAZTESA-N 436.025 4.553 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(COC)CCC2)C1 1508117281 MLHCABFZKNTNQA-QFIPXVFZSA-N 438.616 4.841 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)c2ncc(C)s2)C1 1508119927 XYVPYRSLRNPVLY-DNVCBOLYSA-N 444.004 4.948 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2(Cc3ccccc3Br)CC2)cc1OC 1523704976 ICCPENNXRQKLAM-PKNBQFBNSA-N 442.353 4.927 30 10 IJEE C=CCOc1ccc(CC(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cc3)C[C@H]2C)cc1 1524189585 SKKZFXZJCNPUCO-HDICACEKSA-N 432.486 4.939 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 1529563093 ISNXZXJEYBUHCU-NRFANRHFSA-N 434.561 4.806 30 10 IJEE C=CCCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1530115842 JPZHHAVRWNIFGV-UHFFFAOYSA-N 440.609 4.770 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 1531431446 SWUIYOJOBSVSDR-UHFFFAOYSA-N 442.313 4.520 30 10 IJEE C=CCSc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 1537265936 GQYYFERHNVRTBJ-UHFFFAOYSA-N 440.262 4.730 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 1538215402 TWGHSPOMHCMHSG-GLBTYYSXSA-N 438.955 4.616 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1539024566 WSZLXPUBAUOYAT-QGZVFWFLSA-N 447.539 4.763 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](SC)C(C)(C)C 1539036200 YZVVPVQBFANPCI-OKZBNKHCSA-N 449.665 4.586 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1539148613 QVJNDZDAYIXZBZ-RBUKOAKNSA-N 444.023 4.651 30 10 IJEE C=C(Br)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(C)C)C1 1539592850 NANSIUMAHZAEJP-KRWDZBQOSA-N 441.377 4.522 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCc2sccc2[C@@H]1CC 1539752251 GZZSSGPTHYILLC-IBGZPJMESA-N 443.642 4.802 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CC2(CCOCC)CCC2)CC1 1539894659 PGOLPGNNUQBWCH-UHFFFAOYSA-N 429.634 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1539918155 JZTICNWRHDJIPJ-UHFFFAOYSA-N 431.531 4.891 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1539928725 GNEIABONCOIZDL-QZTJIDSGSA-N 433.641 4.917 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1540048772 BENGHIYUZSUAEW-AQNXPRMDSA-N 443.611 4.936 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS1 1540137174 QAUYAQFYXQFRHN-IBGZPJMESA-N 443.617 4.861 30 10 IJEE C=CCn1c(N2CC[C@H](c3ccccc3)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861056 ZUASQARPUAANQL-WJMWBRGCSA-N 437.588 4.617 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@](C)(O)c2cccs2)o1 1542312787 CJNXVFHPTISHSK-JOCHJYFZSA-N 427.574 4.582 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1cccc(C)c1 1545025025 CUUMOLLKGLAYSY-UKILVPOCSA-N 440.503 4.602 30 10 IJEE CC[C@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)c1ccccn1 1546626419 ANEQTBXAFDMDAG-FPOVZHCZSA-N 444.583 4.726 30 10 IJEE CCSc1cc(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)[C@@H](C)CC#N)ccn1 1552473712 CBKVYBFPWIUCTP-KRWDZBQOSA-N 443.580 4.787 30 10 IJEE C[C@@H](NC(=O)c1coc(Sc2ncccn2)n1)c1ccc(-c2cccc(C#N)c2)cc1 1556162027 FRHNBEYYXUTEEY-OAHLLOKOSA-N 427.489 4.645 30 10 IJEE C#CCN(C(=O)c1ccc(C2SCCS2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1558371141 YJDNGSOCLZBWOS-UHFFFAOYSA-N 446.638 4.640 30 10 IJEE C[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(F)c2ccccc12 1561618790 BMQOZZCZHQYCFA-LBPRGKRZSA-N 433.302 4.653 30 10 IJEE C#Cc1ccc(NC(=O)NCc2cc(Cl)cc(I)c2)c(Cl)c1 1563327267 FXOPMFJYCRPDRM-UHFFFAOYSA-N 445.087 4.901 30 10 IJEE CC[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)Cc1cccc(Br)c1 1564094229 DISJZHGBANISHM-YCRPNKLZSA-N 426.358 4.876 30 10 IJEE C#CC[C@]1(C(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1569399659 OJVFFTYSLKZNHL-NPMXOYFQSA-N 444.963 4.529 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)CCCc1ccc(Br)s1 1583835574 DSPFSHACYCONKD-UHFFFAOYSA-N 429.343 4.838 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1584714320 JCBVACNLQZLSEG-VQTJNVASSA-N 430.548 4.566 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1587723287 HKAJMIHIHVHNIS-HSZRJFAPSA-N 431.584 4.751 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@](C)(O)C1CCCCC1 1588185530 IBJPZFNISQVQSV-MHZLTWQESA-N 444.623 4.542 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@H](c1cccnc1)C(C)C 1589223963 UBIVXRBKVGZDAB-ATIYNZHBSA-N 431.559 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1Cc1cscc1C 1589252044 XTJTZBRINYAOSV-XMMPIXPASA-N 436.581 4.666 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(F)cccc1Cl 1589515679 RATRONBJUFSJJW-MGPUTAFESA-N 429.927 4.683 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(CC)CCc1ccccc1 1589556974 GFANZGIJRDMNIM-UPVQGACJSA-N 436.625 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)c1ccccn1 1589663362 LXWOHYBEUGTAQG-NRFANRHFSA-N 433.556 4.566 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1593630722 LMARPNJMBKLIAQ-ICSRJNTNSA-N 429.609 4.738 30 10 IJEE C=C(Cl)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1593932297 GPRKDIPSFIJGNM-OAQYLSRUSA-N 437.009 4.727 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C#N)o2)CC1 1594192218 FPJDQUHZTQJAMD-LJQANCHMSA-N 431.540 4.950 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1594732438 CYVKPJACRNGGGT-UHFFFAOYSA-N 447.986 4.588 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)(CC)C1 1594792991 CYJADUWBLGMTGL-OAQYLSRUSA-N 433.394 4.927 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@H]1CCCCO1 1594793056 FRNZLZUDJCQIBC-UYAOXDASSA-N 444.645 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](SC)C(C)(C)C)C1 1595700194 LXNSFOUBFCYRIB-PMACEKPBSA-N 430.618 4.513 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2=CCCCC2)C1 1595753786 IHBTTYQLCHURRO-FQEVSTJZSA-N 440.613 4.861 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H](C)c2cnc(C)s2)nnc1-c1ccc(Cl)cc1 1596446029 AAJZYCIQCSOUMT-LBPRGKRZSA-N 433.990 4.519 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](Cc1ccccc1)c1ccccn1 1607884267 SYRHWDKACNNTOM-QFIPXVFZSA-N 438.531 4.588 30 10 IJEE C=C1CC(C)(C(=O)Nc2cccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 1610905940 LBGCSDMAFHTZPI-UHFFFAOYSA-N 428.529 4.538 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1 1616475977 DOPXNPDWMFWCJI-IBGZPJMESA-N 435.293 4.790 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1 1617063930 GCNWKZWACDGEJX-MRXNPFEDSA-N 439.434 4.623 30 10 IJEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H]1C 1617376636 DEWYRGQKCBXNAA-NRAIQUKZSA-N 434.536 4.576 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)c1ccc(F)c(F)c1 1622754010 TYCHBBDPNAZQOK-QHCPKHFHSA-N 428.527 4.854 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 1625539285 VAMBQQKEQKRDKU-SCLBCKFNSA-N 437.309 4.787 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCSCC2)cc1C 1625985131 QUKZLXGXYXEYPK-HXUWFJFHSA-N 433.618 4.736 30 10 IJEE C#CCN(C(=O)c1ccc(C(C)C)cc1O)[C@@H]1CCOc2ccc(Br)cc21 1628057412 FLOAZPYBXBERRP-LJQANCHMSA-N 428.326 4.877 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CSC3CCCCC3)c2)c1 1633731494 NFBINQFXFAUOOD-UHFFFAOYSA-N 444.622 4.969 30 10 IJEE C=CCn1c(S[C@H]2CCCN(Cc3ccccc3)C2=O)nc2cc(Cl)ccc2c1=O 1640579121 WBCCXLOOWSIZMF-FQEVSTJZSA-N 439.968 4.519 30 10 IJEE C=CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1cccc(C#N)c1 1641630811 DZIYKURUDMFLFZ-UHFFFAOYSA-N 427.552 4.668 30 10 IJEE CCCOc1ccc(O[C@H]2CCCC[C@H]2NCC(=O)Nc2cc(Cl)ccc2C#N)cc1 1642758764 CPYFEBQZNDKHDV-GGAORHGYSA-N 441.959 4.919 30 10 IJEE C#CCOc1cccc(Cl)c1CNC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1651326135 XMMPGTCZTCRNJU-DEOSSOPVSA-N 430.935 4.839 30 10 IJEE N#Cc1ccccc1-c1ccc(Cn2cc(Br)cc(Br)c2=O)cc1 1651919654 DWJSXNYWBJQAFL-UHFFFAOYSA-N 444.126 4.960 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 1652247426 VNPPQFBXGOFVJP-UHFFFAOYSA-N 447.516 4.520 30 10 IJEE CCN(Cc1ccccc1Br)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 1654268473 HHTXDTRYYKOYPY-MRXNPFEDSA-N 432.337 4.745 30 10 IJEE C=CCn1c(S[C@@H]2CON(CC)C2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1656002778 SDRDFNNPXHHARO-CRAIPNDOSA-N 446.642 4.598 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2cc(Cl)cc(Br)c2OC)c(OC)c1 1660990135 XOZDDONFOBSPRU-UHFFFAOYSA-N 447.734 4.616 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1OC 1662187634 GFDWDXFKXBKOEF-WMZOPIPTSA-N 437.422 4.765 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)Cc1ccc(Br)c(F)c1)c1ccc(F)c(F)c1 1663462690 BQTMBKUDBCYUHB-QGZVFWFLSA-N 434.277 4.603 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccccc1 1665243529 UWXVTJRTVATAAJ-WMZHIEFXSA-N 441.597 4.936 30 10 IJEE COC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 1667513935 AOLKOFQLKDPKFZ-MRXNPFEDSA-N 425.460 4.687 30 10 IJEE C=CCC[C@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 1668876406 APPMBVOETFBGSC-IBGZPJMESA-N 437.437 4.581 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H](C)c1ccccc1C(F)(F)F 1670651758 HZTFHFZRZHSWFR-BJLQDIEVSA-N 444.501 4.617 30 10 IJEE N#Cc1cc(NC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(F)cc1F 1672603373 DWEHABFLZSAOBO-NRFANRHFSA-N 435.409 4.888 30 10 IJEE C#Cc1ccc(NC(=O)N(C[C@@H](O)COc2ccccc2SC)C(C)C)c(Cl)c1 1675169119 CUNAILHYHSGFFK-QGZVFWFLSA-N 432.973 4.725 30 10 IJEE CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1676079732 GQKHIFCAESDBAV-HXUWFJFHSA-N 440.547 4.634 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cn(C)nc1-c1ccccc1 1678355813 FUDFUODKTCUSID-UHFFFAOYSA-N 441.329 4.736 30 10 IJEE CCN(CC)CCN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)c(Cl)c1 1680521459 HPQQXWFQXCAMGN-UHFFFAOYSA-N 433.383 4.919 30 10 IJEE C=C(C)[C@@H](NC(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1680709591 MLYIXJXMUFAKAG-LJQANCHMSA-N 437.531 4.918 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(C)C 1681568417 XDOWCSSCFQUSDF-UTKZUKDTSA-N 439.431 4.570 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC=CCC1 1690025479 SCMRHRMYJUGTAX-OAQYLSRUSA-N 436.987 4.681 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1690040879 RKVAVWIJGYFKJF-CJFMBICVSA-N 438.019 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cscn1 1690238976 PWWSYYWGJJDXPZ-APWZRJJASA-N 429.977 4.673 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC)CCc1cccs1 1690244074 SPTFZIFJSHGVFJ-GHTZIAJQSA-N 425.602 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1690422426 OGTLHWVZNCMCEC-ICSRJNTNSA-N 444.645 4.966 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](C)C1 1690571827 KHEWOCBKGOALPU-GHTZIAJQSA-N 436.579 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCCc1c[nH]nc1C 1690587097 YRPJGSQFHHJUTI-UHFFFAOYSA-N 447.406 4.612 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[C@@H](OCC(C)C)C2)cc1 1690679033 JQAJJMMPCHGKEP-JOCHJYFZSA-N 436.556 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@@H]1C 1705604115 FOODBLMPHNFRKM-JTHBVZDNSA-N 437.632 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(OCC)CCCC1 1705677446 ORYQPGAANSPBJS-HSZRJFAPSA-N 442.991 4.852 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705687800 JBUROTWWQYFAKD-JOCHJYFZSA-N 447.421 4.727 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCCCC2)nc1 1705713251 YNMJTWWBNPJVJR-UHFFFAOYSA-N 441.583 4.653 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1705732062 MEZZJOJEVNJTSE-YADHBBJMSA-N 438.572 4.924 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(CC)Cc1ccc(OC)cc1OC 1705757602 QVQCKWWIXUFJKN-UHFFFAOYSA-N 432.977 4.727 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN2CCCC[C@H]2C1 1705759602 RKGVUOBJWXEUFK-KRWDZBQOSA-N 438.428 4.651 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1705805524 JGGQQJFHEGLDQO-UHFFFAOYSA-N 444.023 4.725 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1nccs1 1705822411 DDESIGRRPUZAKB-UHFFFAOYSA-N 448.390 4.679 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1CCO[C@@H](C)C1 1705863240 LOLXZYQIAFWXED-GOTSBHOMSA-N 448.615 4.538 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H](C)C#N)C1 1706500065 HUBIGPKAACZVCS-ZWKOTPCHSA-N 447.002 4.701 30 10 IJEE CC1(C)CCCN(CCn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)C1 1706947256 GZEQLGUXOUTKLJ-HHHXNRCGSA-N 448.659 4.705 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C)(COC)CC1 1722322199 KHTBPIWZNRNZCQ-UHFFFAOYSA-N 426.630 4.935 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2nccs2)CC1 1722326425 FWXQFXILMYCCID-KRWDZBQOSA-N 439.560 4.811 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1csc(CCc2ccccc2)n1 1722404074 PAISTDYKEAZJSI-UHFFFAOYSA-N 431.565 4.596 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1cccs1 1722510962 WDOVJWMORTZAMA-LAUBAEHRSA-N 443.642 4.703 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCOC(C)C)CC1 1722568490 OJIDLJQYDHYWRI-UHFFFAOYSA-N 449.393 4.591 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCn2ccnc2C)CC1 1722584183 XTGYCBASADJRMO-UHFFFAOYSA-N 440.542 4.535 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](COCC)C1 1722587477 QBKWWCUSJOWGME-SFHVURJKSA-N 426.561 4.529 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1Cc1cnccc1OC 1722658427 DWVLYKMGOWDRHT-UHFFFAOYSA-N 433.487 4.630 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740732936 VTPLZIGOZBMBBW-UMEGOILYSA-N 440.035 4.635 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(N(C)C)CCC1 1740768990 DVINDXYHRYFPKP-UHFFFAOYSA-N 446.437 4.903 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)C1 1740779653 SPUVBPARLBROFW-UHFFFAOYSA-N 425.758 4.552 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2nc(C)cs2)CC1 1740780439 VLHWHFNDRUJWDW-UHFFFAOYSA-N 449.411 4.920 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1)c1ccccc1 1740856549 UTIUHMCXHKDSES-XZOQPEGZSA-N 446.599 4.692 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H](SC)C(C)(C)C 1740920617 DUFMCKSKIZHVAX-QUCCMNQESA-N 432.609 4.891 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1748655478 YZZNGEBSTPPJAV-DFEOGRTESA-N 427.390 4.910 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1cccc(C)n1 1748684877 QKROHDNYNRUNGU-NRFANRHFSA-N 431.584 4.693 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1748710678 XLTHAKWAUGBRKO-JOCHJYFZSA-N 433.556 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1ccncc1 1749059039 UCVJZLDIKPTPRA-JOCHJYFZSA-N 426.351 4.882 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(C)ccc1F 1749129117 AYOZDZGVMJTRDF-NYVOZVTQSA-N 428.552 4.585 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N(C)Cc1cc(Br)cs1 1749219854 VBYBXMIHNFGVSM-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1749368565 MIOBITMTSUPYSG-MOPGFXCFSA-N 433.641 4.818 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1749398688 OKZLTSDAKZBHCG-UHFFFAOYSA-N 436.604 4.851 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1COC(C)(C)OC1 1749413851 ZOYLHSTYTYMRCV-QGZVFWFLSA-N 448.995 4.873 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N(C)C1CCC2(CC1)OCCO2 1749438323 UVOHXWCLURZKMR-UHFFFAOYSA-N 440.588 4.508 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1cccs1)N(C)C 1749470767 BZUHPQNJPVWCAN-QGZVFWFLSA-N 433.528 4.533 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@H](F)C1 1749553912 WZWYOUJUZZKYMT-OALUTQOASA-N 428.581 4.532 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1749689319 HDBXSKZRPASULH-REWPJTCUSA-N 431.584 4.892 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760154063 NGMPWYLMVXNMEQ-UHFFFAOYSA-N 433.503 4.702 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC[C@@H](OCC)C1CCCC1 1760199500 XAUWGRLIMPPLCR-RUZDIDTESA-N 441.579 4.552 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCc1ncc(CC)s1 1760239977 CRCCBRJHYYEMCA-KRWDZBQOSA-N 425.577 4.832 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(CC)C(C)C 1760320113 SEPKJGJAFDFHMX-KNQAVFIVSA-N 428.577 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC(C(F)(F)F)CC1 1760326577 XZQDFIDJQCNAEH-UGKGYDQZSA-N 448.533 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cccn1 1760331860 OXPVRYHGKFJEJL-UHFFFAOYSA-N 447.356 4.536 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@@H](C)C1 1760352000 OQESPTOSTWBGCD-KRWDZBQOSA-N 432.659 4.810 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCSC1 1760499296 UHNCKQFHEDUXHW-YADHBBJMSA-N 426.630 4.550 30 10 IJEE CCc1nnc(N2CCC(CC#N)CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1762967792 FMQYVTYRMAJTBN-UHFFFAOYSA-N 438.576 4.560 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1772555022 UFTPHPBKCQBEDG-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nc2cc1OC 1858204679 JLBVSCWHBPZJJZ-UHFFFAOYSA-N 447.438 4.873 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cnc(C)cn1 1861731746 HPHHQMVKWPUEEQ-JOCHJYFZSA-N 442.579 4.522 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC)cc1OCC 1862511603 MDDVWYWVFFLQOO-OAQYLSRUSA-N 427.472 4.530 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccccc1F 1862663115 PIXVBYZBJAHMGG-QFIPXVFZSA-N 425.500 4.952 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(C)cc2)cc1 1862686719 CXPBTMGWLDJKJN-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2ccccc2F)cc1 1862686731 AHUNTRZOSFUKLR-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(Cl)cc1 1862725440 JEWBOWWATUBOTI-QMHKHESXSA-N 447.918 4.966 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(F)cccc1Cl 1862757256 WHEXIPNCVDAOCC-SFHVURJKSA-N 432.835 4.622 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3ccccn3)C2=O)cc1 1863283700 HARYRLBWMIFPMR-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CN(CCc1cnc[nH]1)c1cc(Nc2ccccc2C#N)nc(-c2ccccc2Cl)n1 1868418806 BNYNRRYQMPZQDP-UHFFFAOYSA-N 429.915 4.814 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)nc(CCC)n1 1869227261 AOTIBTOTCROPBT-JOCHJYFZSA-N 438.019 4.680 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCC(CO)CC2)nn1-c1ccc(Cl)cc1 1869981999 JPEGWXLFHWXCKO-UHFFFAOYSA-N 448.011 4.819 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 1870145341 WILQIOVSKCJHQA-SFHVURJKSA-N 446.555 4.515 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)c1c(F)cccc1Cl 1870160985 UKZCLPIJTOWLQE-UHFFFAOYSA-N 433.830 4.976 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(F)cc1 1870945267 JYYQKWCNVYDSLG-UHFFFAOYSA-N 445.579 4.863 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)c1 1871380212 CNPUJHPVWIWUOU-PQDVAEEHSA-N 443.455 4.642 30 10 IJEE Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871434669 RAJAUUYLSCLITP-UYOCIXKTSA-N 445.427 4.965 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 1871441364 ATPAFVGGHSIPCQ-FMCGGJTJSA-N 429.472 4.946 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 1871446118 YLMDPWLYOYZQKY-OCKHKDLRSA-N 437.275 4.568 30 10 IJEE N#C[C@@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872766086 CIUHLOAVSGXHOZ-INIZCTEOSA-N 430.316 4.723 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)cc1 1872884596 LUXKWSGOXKDJOB-UHFFFAOYSA-N 430.939 4.786 30 10 IJEE CC(=O)N1[C@@H](C(=O)Nc2cccc(C#N)c2)Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1 1873866399 GBEYQOORGIIVLR-AOYPEHQESA-N 434.499 4.541 30 10 IJEE C=CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1F 1874209114 CLEQADNJKKNPBM-LPYMAVHISA-N 431.334 4.931 30 10 IJEE C=CCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874279552 LIXUCSHYRNRAOW-HYARGMPZSA-N 427.917 4.785 30 10 IJEE CCCOC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1ccc(CC)cc1 1874397914 OCDCKUZINUTRHI-OAKZWBAKSA-N 436.581 4.920 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2cccc(C)c2)o1 1874417696 NYVMIFPOHAXHRI-MFKUBSTISA-N 446.532 4.731 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874425589 QDCSTVSWCKCKCL-PCLIKHOPSA-N 435.597 4.911 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccn2C)cc1C 1874452318 PLJARBFQKCVXKM-ZVHZXABRSA-N 436.585 4.504 30 10 IJEE COCCc1nnc(SC)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1874469726 UGJOLVZKNVBNEF-PCLIKHOPSA-N 432.549 4.803 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1sccc1C 1874476740 UOJDNQMNDRPFNT-LPYMAVHISA-N 427.599 4.912 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2/N=C/c2c(F)cccc2Cl)c1C 1874528401 HODCPAMIUPQGAM-AUEPDCJTSA-N 431.924 4.609 30 10 IJEE COC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1Br 1874603946 NEJUFDXNZGDUTI-UXBLZVDNSA-N 429.310 4.776 30 10 IJEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc(OC)cc3OC)ccc2OC)c1 1874714350 QMYYCQIYOQAXLB-XYOKQWHBSA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)cc1OC 1875103611 HOVGRSZPURWKKQ-VMPITWQZSA-N 433.460 4.531 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 1891711129 KGLJYBQLSSPSEH-UHFFFAOYSA-N 438.487 4.693 30 10 IJEE Cc1cc(C#N)cc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951961939 LDDNWUATVZUYKS-SANMLTNESA-N 426.472 4.705 30 10 IJEE N#Cc1ccc(N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(Br)c1 1998965325 YNUSJXCHHOEOPW-INIZCTEOSA-N 442.235 4.590 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)C12C[C@H]3C[C@@H](CC(NC(=O)OC(C)(C)C)(C3)C1)C2 2013344009 WQZIVCSPQBZARA-VHVRVSSBSA-N 426.601 4.950 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(C#N)(N(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)CC2 2030099442 DZSVRVCPQGDHLA-OVZSAZJBSA-N 449.592 4.522 30 10 IJEE COc1ccc([C@@H](n2nc(C3CCC3)c(C=NO)c2Br)C2(C)CC2)cc1O 2079938595 GBSNYDDSSLISLG-GOSISDBHSA-N 434.334 4.825 30 10 IJEE Nc1c2c(nc3c(-c4ccc(C(F)(F)F)cc4F)c(C(F)(F)F)nn13)CCSC2 2081390804 ZNFLCFSZCKHRLC-UHFFFAOYSA-N 436.356 4.945 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(F)c(Br)c(F)c1 2142176273 YQUMOFMVUYEZQF-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CC1(C)OB(c2cnc(Sc3nc4ccccc4s3)c(Br)c2)OC1(C)C 2172771708 DBVSIYQSJHQPIP-UHFFFAOYSA-N 449.204 4.904 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)N(c2cc(Br)ccc2C#N)CCN1C(=O)OC(C)(C)C 2174816318 CFFDVYPTIYYRLD-IAQYHMDHSA-N 448.283 4.697 30 10 IJEE C#CCCN(CC(C)(C)C)C(=O)c1ccc(I)c(Br)c1 2176164692 UXWOKBSIXXHGPZ-UHFFFAOYSA-N 448.142 4.565 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2cc(Br)ccc2c1 2180953085 SJWOMMQWTQBIOF-SFHVURJKSA-N 431.330 4.848 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](O)CC#C[Si](C)(C)C 2229106538 WKJYIQAOHJQDMM-MSOLQXFVSA-N 440.454 4.517 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2235747405 POUUKHXFIATTOS-OXQOHEQNSA-N 435.406 4.672 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)cc(Br)c1F 2272850466 VLGLZTSAZMUPKX-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC2CC(OCc3ccccc3)C2)c1 2282656212 SRWIGRRWVAGGIA-UHFFFAOYSA-N 449.400 4.587 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296219246 MFYGEBFNPOYUKG-RTBURBONSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[C@H](O)C#Cc2cccc(Br)c2)C12CCC2 2296223127 ZBVNMGDDCVTLJB-QXAKKESOSA-N 434.374 4.635 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2296280089 WLQSZXJNOWDLNP-XMSQKQJNSA-N 433.390 4.616 30 10 IJEE CCN(CC)C(=O)COc1c(C=CC(=O)c2ccc(Br)cc2)cccc1OC 2322430188 OIGOAQVTDMBYQV-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)cc1 2322948836 CCRAIIDGNZTAKD-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)cc1 2323126606 UWMRLPJQWLKBNI-UHFFFAOYSA-N 426.346 4.948 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 2323629664 DVFVRYVAMCUHAB-UHFFFAOYSA-N 432.432 4.517 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCc4nc(O)c5ccccc5n4)c3C)C2=O)cc1 2325201048 NTIBWSUIXCNDQV-UHFFFAOYSA-N 440.455 4.848 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3)c2)cc1C 2325713497 HGGXCDALABCWCG-UHFFFAOYSA-N 432.472 4.893 30 10 IJEE CCSc1nnc(CCc2ccccc2Cl)n1N=Cc1cc(OC)ccc1OC 2327948455 DBCMCINORADNKY-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2N=Cc2ccccc2C(=O)O)c1 2330961364 GNIRBLICCUKPIC-HXUWFJFHSA-N 436.537 4.619 30 10 IJEE Cc1ccc(COc2ccc(C=Nn3c(SCCO)nnc3C3CCCC3)cc2)cc1 2331100889 VSGZQHOVDMJIPC-UHFFFAOYSA-N 436.581 4.790 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2334272494 QVDFYRIBGYWWLL-ZSMCCQBJSA-N 439.405 4.701 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C=CC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2342471011 MSRPSTGLIOVAMX-SFHVURJKSA-N 442.365 4.742 30 10 IJEE C=C([C@@H](NCCC)[C@H](O)c1sc(Cl)cc1I)C(F)(F)F 2366644556 BVJGGFZRQWAWIS-ZJUUUORDSA-N 439.668 4.526 30 10 IJEE Cc1cc(CN(C)Cc2sccc2Br)cc(B2OC(C)(C)C(C)(C)O2)c1 2369723340 GAUNREMOEWEBJG-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CNCCC(=O)OC 16030879 YZOYYAGAGOZILB-KPAGWKSRSA-N 445.600 4.817 30 10 IJEE biogenic C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1nc2ccccc2s1 20829714 OIEJNGNEFAOKSP-UHFFFAOYSA-N 449.605 4.980 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 26192949 DFIYTXGRKAQSMM-AWEZNQCLSA-N 442.928 4.826 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C(C)(C)C)cc2)c1 34934712 PDRDGOMUUIXWHV-QFIPXVFZSA-N 437.536 4.608 30 10 IJEE CSc1nnc(N)n1[C@@H](C)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 40172232 NSMBRMFWOFVMTQ-AWEZNQCLSA-N 444.520 4.581 30 10 IJEE COc1cc(OC)cc(C(=O)/N=C(\NCc2ccccn2)Nc2cccc(C(C)C)c2)c1 46126953 NQOFVFLZWLWEJX-UHFFFAOYSA-N 432.524 4.620 30 10 IJEE CCCCCCCCCCCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCC(C)C 100442170 HTROPVSHBBANOU-QFIPXVFZSA-N 438.653 4.994 30 10 IJEE Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Br)oc2c1/C(=N\O)CC(C)(C)C2 101108596 YTXPFGOYWJEFAR-BKUYFWCQSA-N 436.262 4.662 30 10 IJEE C=CCN(C(=O)CN1CCSCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 110981175 VQWQQSJIVXHQKI-UHFFFAOYSA-N 428.410 4.685 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccs2)c1 169987857 PXWKRTSLWQHYCC-LJQANCHMSA-N 427.428 4.818 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccnc2)cc1 170013233 IWGZOQYWMNYUDW-FQEVSTJZSA-N 427.485 4.783 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)c(Cl)c1 170041776 JMBCXZNLBLKLRJ-QFIPXVFZSA-N 437.879 4.736 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 170064712 RUZDLDBVANOCCB-DEOSSOPVSA-N 446.522 4.899 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccccc2F)c1 170069228 QGSRMWNVSFWXGK-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCCOc1cccc(NC2=C(c3cccs3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170121875 NRCKOVCTUDUNIE-UHFFFAOYSA-N 429.501 4.805 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(N(C)C)cc1 170129990 QYGDVYWPCNLZLY-QHCPKHFHSA-N 434.536 4.591 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)cc1C(C)C 170161978 JRDOIRMHKWOTBU-IIBYNOLFSA-N 441.549 4.637 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccn2)c1 170167741 AQBFMWWUYGDMRP-QHCPKHFHSA-N 444.487 4.660 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccn2)cc1C 170171447 MYCZRDHKOYINMJ-QHCPKHFHSA-N 444.487 4.667 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccn2)cc1 170175926 HHCAUCLSXDGRKP-HSZRJFAPSA-N 439.471 4.525 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccnc2)c1 170183062 MTPZMRBMNRIPHV-NRFANRHFSA-N 434.517 4.709 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)cc1 170206324 FGDVDLJATGIHTB-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1C(C)C 170260618 OVXUYIGNOFNBLD-HSZRJFAPSA-N 447.487 4.896 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2C)c1 170274325 ZZYXFCINGBWJGJ-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170286528 TZFSVTSKDMQLIC-FQEVSTJZSA-N 439.851 4.733 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(C)o2)cc1C 170301164 VLTDKQHFXBORAR-QFIPXVFZSA-N 433.460 4.784 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)o2)cc1C 170311320 IYVKHLSGUSDTBG-JOCHJYFZSA-N 435.451 4.823 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)c1 170314822 QNROAKDFGOKDBS-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE CC(C)COc1ccc(CN2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2ccc(O)cc2)cc1 170450601 YSVHDAAHBCTKJE-JOCHJYFZSA-N 437.536 4.938 30 10 IJEE N#C[C@@H](C(=O)c1cc(Br)ccc1I)c1cccs1 232471580 RJEONFAUHKQROB-SNVBAGLBSA-N 432.080 4.605 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)cnn1C(C)C 407246421 XIEFWNROAWGCNY-HOTGVXAUSA-N 429.403 4.737 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@@H](OCCC(C)C)C2)nnc1-c1ccc(Cl)cc1 434060732 BSAXSZALKHWOTC-LJQANCHMSA-N 449.020 4.540 30 10 IJEE C[C@H](NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 446466755 NOPJAMBOGJEYGN-XOBRGWDASA-N 427.430 4.623 30 10 IJEE Cc1csc(NC2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)n1 474801240 KVVPHROZTYOIHO-UHFFFAOYSA-N 432.549 4.619 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 475582775 NSZKSYJJFDTJEA-UHFFFAOYSA-N 427.495 4.807 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2OC)cc1 526515289 JLIQFMUAMLBTGR-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE COc1cc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)ccc1O 526517727 VLQGTQCTWJYXHA-QFIPXVFZSA-N 432.863 4.983 30 10 IJEE CCCCOc1ccc(/C=N\n2cnnc2SCc2ccc(C#N)cc2)cc1OCC 526822449 JFDZCGWIDWFFKZ-YSMPRRRNSA-N 435.553 4.902 30 10 IJEE N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)CCN1C1CC1 732649614 LUDFPWONYMFWMX-PTMWEUFISA-N 434.543 4.534 30 10 IJEE C=CC[C@H](NC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1ccncc1 734461197 XALGTGIDQJWIFL-BEHCEJKESA-N 433.533 4.541 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 750687164 LEJCOYXYFMFQPR-HXOBKFHXSA-N 425.554 4.942 30 10 IJEE COc1ccc(C[C@@H](C)C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)cc1F 758082491 GHBSJWALJVVSJK-GFCCVEGCSA-N 436.459 4.696 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1=S 760406144 FXVLOJABWHFQGC-KRWDZBQOSA-N 446.592 4.807 30 10 IJEE CC[C@@H](C#N)Oc1cc(CN[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)ccc1OC 763262080 LUAPHWVLLWCJIN-FXAWDEMLSA-N 437.323 4.687 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1cccs1 768414400 GNKDOYJUQMAIIG-INIZCTEOSA-N 439.610 4.912 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 779166282 YXKRKYBUROPVOZ-GOSISDBHSA-N 440.975 4.583 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(C#N)cc3F)cc2OC)cc1 781107807 KSHGFMIYCTUGAB-WDZFZDKYSA-N 445.446 4.968 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1cc(C)ccc1C 809892826 FKDZPWORLGZDEW-QHCPKHFHSA-N 445.567 4.849 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1)c1ccc(F)cc1 812750196 NRNYIIPMQGOTIW-LJQANCHMSA-N 443.272 4.568 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(-n3nc(C)cc3C)nc2)no1 904517459 DXVKLIVSRSFDFY-MRXNPFEDSA-N 444.923 4.643 30 10 IJEE C=CCOc1c(Cl)cc(/C=C2\S/C(=N/CC)N(CC)C2=O)cc1Br 1084099612 IFRVPOZOMKKPME-CJXQYUSSSA-N 429.767 4.979 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1ccc(C)cc1 1084597074 MSEDMUAGJKOHNV-UHFFFAOYSA-N 449.367 4.987 30 10 IJEE C=CCc1cc(C(=O)N(CCCOC)[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc(OC)c1OC 1128323940 AJOOSILRCPLZCU-ZADIZFFCSA-N 427.585 4.736 30 10 IJEE C=CCCCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 1128603986 KNMFAABRBPBDKS-OFVILXPXSA-N 436.552 4.579 30 10 IJEE COCC[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cccc(C(F)(F)F)c1 1129018683 ABFWXOKACXRJIG-GOSISDBHSA-N 429.398 4.740 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)c1ccc(Cl)cc1F 1129736147 XSKBPSXITIPUOL-MRXNPFEDSA-N 428.769 4.694 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1OC 1130785658 RFLBOZCDOUJHJB-ZQDAFOGCSA-N 441.955 4.835 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)CCCN1C(=O)OC(C)(C)C 1134002886 FNTOSZDMLREYMX-OAQYLSRUSA-N 439.478 4.503 30 10 IJEE C#CCOc1ccccc1NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 1138309264 NXTXUJBFQICROF-UHFFFAOYSA-N 425.491 4.775 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(C)=O)c2ccccc12 1150098175 CYAKMZJNYDULGG-SFHVURJKSA-N 432.904 4.740 30 10 IJEE N#CC[C@@H](C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccccc1 1152393794 ADEXOWSNIJYSIP-HHHXNRCGSA-N 438.575 4.687 30 10 IJEE C=CC[C@H](Cc1ccccc1)Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 1163488710 LBSAPWGLATXFAY-MRXNPFEDSA-N 434.849 4.899 30 10 IJEE C=CCn1c(S[C@@H](C(=O)N2CCCC2)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164428117 BYMISICJCCNABN-DNVCBOLYSA-N 445.654 4.508 30 10 IJEE C=CCn1c(SC[C@@H](OC)c2ccc(F)cc2)nnc1[C@H]1COc2ccccc2O1 1164611005 IGECOHAMSYPZAA-WOJBJXKFSA-N 427.501 4.596 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)CCCCC1 1165339746 IVABLUWHYKBSGI-ACRUOGEOSA-N 434.621 4.824 30 10 IJEE COCCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1 1187063283 BQEIWBNPLZIPQS-UHFFFAOYSA-N 440.952 4.796 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1c(C)sc(C)c1Br 1189382947 AYZRGZCBHCSUBP-UHFFFAOYSA-N 430.389 4.826 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 1200143813 FEYYKWQFMNAHSL-QGZVFWFLSA-N 433.430 4.508 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1200402335 GGFWZXZXNXLHPX-UXHICEINSA-N 441.572 4.590 30 10 IJEE Cc1ccc(Oc2ccccc2)c(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1201606544 HMBDKIVEWVDGTP-FXAWDEMLSA-N 436.512 4.668 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1ccnc(Br)c1 1205486594 YVERWPGIYPQWRJ-UHFFFAOYSA-N 443.114 4.966 30 10 IJEE Cc1cc(NC(=O)NC[C@H](C)Sc2ccc(Br)cc2)c(C#N)cc1N(C)C 1205941891 HQIJRTMGDFWQPN-AWEZNQCLSA-N 447.402 4.998 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 1216823423 CRGJBWANIVTMLO-HNNXBMFYSA-N 438.329 4.790 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)C1 1219462741 LSBGBOLKHAEEMH-WIYYLYMNSA-N 429.561 4.815 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1Br)C(C)C 1220597380 BUGLZCPCKVQGFE-LEWJYISDSA-N 434.422 4.994 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccccc1 1224523358 TZMVEXWCTRKXMP-QUCCMNQESA-N 442.357 4.709 30 10 IJEE C=CCC[C@H](NC(=O)N1CCc2c(CC(N)=O)cccc2C1)c1ccc(C(F)(F)F)cc1 1230693166 CULRBYMBGAYKPR-NRFANRHFSA-N 445.485 4.508 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1248702454 YSVWTXGHMXYWMT-IBGZPJMESA-N 437.531 4.667 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(-c3csc(C)n3)cc2)CCCN1C(=O)OC(C)(C)C 1264852717 DJKCIUPAWFIFHR-DEOSSOPVSA-N 439.581 4.528 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 1267007290 VRXVBEHSKIXRSW-DEOSSOPVSA-N 428.488 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(C(C)C)CC1 1286279439 MNNYAKYIKGYUAK-HNNXBMFYSA-N 431.378 4.610 30 10 IJEE C#CCCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H]1CCOC1 1286318415 UOUYJWYKVXWKBV-IBGZPJMESA-N 435.597 4.653 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C(F)F)C1 1286338473 DKJXCFFYYKFYMC-MRXNPFEDSA-N 437.332 4.911 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(C)s1 1286415237 FOIXQTDZAZZGJR-UHFFFAOYSA-N 445.375 4.655 30 10 IJEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1286509059 UEVLWTOZFXVKFL-UHFFFAOYSA-N 438.641 4.621 30 10 IJEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CCC 1286530804 DSDLZJODKCHZRI-NSHDSACASA-N 431.176 4.569 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)CCC(F)(F)F 1286605861 YUHABPIOXVWUAT-UHFFFAOYSA-N 447.299 4.689 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286667702 LXSBARFTADPCLO-LJQANCHMSA-N 445.489 4.863 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286694667 XAMNHQIPVOECTG-ROUUACIJSA-N 446.437 4.901 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1ccc(C)s1 1286741657 BQTUVTBKHUBCQM-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCOc1ccccc1Cl 1286749442 SEMYPQKLPFXKAL-KRWDZBQOSA-N 444.988 4.769 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NC(CC)CC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1286751190 CEJPWHHUUQFICX-RDJZCZTQSA-N 427.515 4.669 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(C)C)C1 1286799080 PNGAVCRPHGRDMC-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)CCC(C)C)C1 1286804915 PHIBVVXWMZAQOD-NZQKXSOJSA-N 432.996 4.567 30 10 IJEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1287220296 HTZBKMPSXRWCPX-RBUKOAKNSA-N 446.521 4.893 30 10 IJEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CC#N)CC1 1291386894 DKJBHZXXOTXVNP-MWTRTKDXSA-N 445.995 4.534 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCS1 1299903543 FRIRENFVNDWLRN-IERDGZPVSA-N 431.993 4.633 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3cccc(Oc4ccc(Cl)cn4)c3)CC2)c1 1300156665 DQFLLDPSXBMDNP-UHFFFAOYSA-N 446.938 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCC1CC(OC(C)(C)C)C1 1300319617 CKRKIOYLSTXYRE-HWELCPFYSA-N 438.616 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc3cccnc23)n1CC(O)(CCC)CCC 1300798383 NHWHYPSJKOEIJJ-RUZDIDTESA-N 431.584 4.817 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1ccc(Cl)s1 1300881498 OSGOHMUSPPCVDH-KXBFYZLASA-N 431.993 4.996 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCCC1 1300894486 COITYLHHTLRFNV-LNRXMEIDSA-N 430.637 4.804 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](CC(C)C)C1 1300898618 YUIGZBKSXOBKAF-REHUZNOOSA-N 442.579 4.850 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1300963241 QOWVAKXBBKMDIL-LEWJYISDSA-N 428.552 4.746 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccc(Cl)cc1 1301027181 KLDYZCNESYWRRX-UHFFFAOYSA-N 438.746 4.915 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC=C(C)C1 1301185962 PEQVOCOPWYKCBC-UHFFFAOYSA-N 432.572 4.578 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC1(OCC)CCCC1 1301305247 UIRZCHQFYNILCS-UHFFFAOYSA-N 449.393 4.591 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 1301315813 BEHNWOBCNMRLFY-PXNSSMCTSA-N 430.499 4.683 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1)C(C)C 1301367884 VGLOPPLJTMNJEZ-YADHBBJMSA-N 442.677 4.742 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1301371800 GKTTUINGMWCARQ-QRVBRYPASA-N 428.552 4.939 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1cc(F)ccc1F 1301411058 RWRFZAUDBZANNQ-OAQYLSRUSA-N 428.483 4.674 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2cccs2)C1 1301538670 JUHUXZJBTSCLCJ-ZWKOTPCHSA-N 442.560 4.643 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCc2ccccc2)CC1 1301611891 HTZAECOPDGCQNJ-QFIPXVFZSA-N 442.629 4.625 30 10 IJEE C/C(=C\C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1cccc(F)c1 1304252439 MTSBRQIGHUVRKD-UDHZEARHSA-N 431.298 4.858 30 10 IJEE CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1309082727 AUPAWTCWZJRMDU-UHFFFAOYSA-N 448.169 4.838 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 1310739189 CJCQIUGPRBKHAO-ACJLOTCBSA-N 425.476 4.562 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 1310863113 FDHLXUBHRDRCDO-MRXNPFEDSA-N 433.350 4.990 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)c1cc(F)c(Br)cc1F)C(C)C 1311389311 REEBBSFQDWEWLI-LIRRHRJNSA-N 444.364 4.786 30 10 IJEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1316101035 BVJBEXMGHXAAIZ-LJQANCHMSA-N 449.521 4.590 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 1351103615 OCBWIDSYWMUQFL-OAQYLSRUSA-N 437.540 4.587 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)sc2c1CC[C@@H](C)C2 1355256662 FKKWQQLFKVBPNB-OAHLLOKOSA-N 448.548 4.748 30 10 IJEE C=CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OC(C)(C)C)C2 1355404550 FWKJTMXBFWJWEQ-UHFFFAOYSA-N 436.574 4.759 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](C)C1 1359050443 QKBBLICOQWNLHX-IBGZPJMESA-N 433.625 4.955 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1359083195 DHWGKWDELYIILT-MRXNPFEDSA-N 436.423 4.993 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1359176988 WONRPKZJWHECHI-QHCPKHFHSA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCC(C)CC2)CC1 1359181223 KVXDMLMQQFTCEI-UHFFFAOYSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC2)CC1 1359183878 WUDQLWBLQRVFOO-IBGZPJMESA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(OC)C1 1359184687 XAUMYAJXQPTOFS-FQEVSTJZSA-N 436.398 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1359185594 CGPULKIIHKZRPQ-IBGZPJMESA-N 439.604 4.898 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOCC2(CC2)C1 1359211244 WFRSPGASIQHNPE-UHFFFAOYSA-N 431.378 4.599 30 10 IJEE C=CCN(c1nnc(-c2ccc3ccccc3n2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1359249095 NZGOULGSEXJNCC-UHFFFAOYSA-N 448.571 4.515 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccc(C)cc1 1359263942 QGAGGWRLVIRWEV-VQTJNVASSA-N 438.597 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(N(C)C)CCCCC1 1359270286 JQLCIHTZWNTWKP-UHFFFAOYSA-N 445.615 4.574 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](OCCCc2ccccc2)C1 1359290786 PNTFHQRHVLJYQX-DNVJHFABSA-N 438.616 4.611 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCC(Cn2cc(C)cn2)CC1 1359308850 ALYNYLFUGNIGQL-NRFANRHFSA-N 448.615 4.826 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCCCC1 1360460595 CVROVEKYJGUUNK-IBGZPJMESA-N 449.555 4.604 30 10 IJEE CC(C)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)CC1 1360496904 CGMOZYFWFJCONR-IBGZPJMESA-N 448.640 4.724 30 10 IJEE C[C@H](NC(=O)c1cc(Cl)ccc1-n1cncn1)c1ccc(-c2cccc(C#N)c2)cc1 1435858088 CVHZPXQGSPOVDL-INIZCTEOSA-N 427.895 4.950 30 10 IJEE CC[C@@H](C)n1ncc2c(C(=O)OCc3cc(Br)cc(C#N)c3)cc(C)nc21 1436077829 FJUKKKGEXOXDKN-CYBMUJFWSA-N 427.302 4.702 30 10 IJEE N#Cc1ccc(OCC(=O)NCc2ccc(-c3cccs3)cc2)cc1Br 1437478853 GDPPGVBBOMBNFO-UHFFFAOYSA-N 427.323 4.744 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2cc(C)co2)ccc1Cl 1439225082 CFWVIUVBCKRYGB-UHFFFAOYSA-N 445.924 4.980 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)c1 1446801627 FYSLLOGOCVKBIE-CQSZACIVSA-N 436.360 4.550 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC(C)C)[C@@H](C)c2ccccc2Cl)c1 1452416137 NTQQEWZDDPMLIH-SFHVURJKSA-N 431.985 4.996 30 10 IJEE C=CCC[C@H](C(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1)c1ccccc1 1455603772 WRZNAUYAKHYPPD-NRFANRHFSA-N 434.515 4.802 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(OCC)cc1 1459696996 VWZPDASUDBSCRC-QGZVFWFLSA-N 438.553 4.585 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)CCCCC1 1460094345 SCFODRUFLGEBDP-UHFFFAOYSA-N 426.582 4.911 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccc3c(c2)OCCO3)cc1OCC 1461021975 TYGLPJQSCVOUFZ-UHFFFAOYSA-N 448.357 4.516 30 10 IJEE Cc1ccc(OCc2nc(CNC3CCN(Cc4cccc(C#N)c4)CC3)cs2)cc1 1461601421 CWCUSBSGGCKTNX-UHFFFAOYSA-N 432.593 4.656 30 10 IJEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 1462953041 HJVZRGUTEYYGMB-UHFFFAOYSA-N 445.562 4.911 30 10 IJEE N#Cc1ccccc1N1CCCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 1464798303 AOBVHCZLZZTTGK-UHFFFAOYSA-N 443.469 4.617 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NC2(Cc3ccc(F)cc3)CCOCC2)cc1C#N 1466610591 CIIAEIUKFGLGHS-UHFFFAOYSA-N 425.504 4.788 30 10 IJEE CCCc1c(NC(=O)c2ccc3nc(O)n(C(C)C)c3c2)cnn1-c1cccc(C#N)c1 1467251610 DNHGFZXHTHUSGZ-UHFFFAOYSA-N 428.496 4.585 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N3CCCC[C@H]3COC(=O)N3CCCCC3)c2)cc1 1467885864 IEENGXPWFAPGJT-DEOSSOPVSA-N 446.551 4.919 30 10 IJEE C#C[C@@H](NC(=O)N(C[C@@H](O)COc1cccc2ccccc12)C(C)C)c1ccc(F)cc1 1470657613 PDOVPQUUMQFZTN-ISKFKSNPSA-N 434.511 4.513 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2sc3c(c2c1=O)CCCCC3 1472909778 PFGYRXHSSDBMCW-UHFFFAOYSA-N 439.606 4.952 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1Br 1475720786 OQWYRLIRIGBRBS-SFHVURJKSA-N 438.774 4.804 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1476149673 DFLIWAPLDUXXLD-QAPCUYQASA-N 432.590 4.990 30 10 IJEE Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 1476496809 GBFMYQAIQMAYCT-KRWDZBQOSA-N 436.409 4.695 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H](C)CN1Cc1ccccc1 1476697624 CWRMTNUNBXWBCJ-PMACEKPBSA-N 441.535 4.872 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 1477931262 PXMKSPYNUUBAFZ-IBGZPJMESA-N 444.373 4.747 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 1479049270 GUODHEKDHZTBIM-MOPGFXCFSA-N 425.342 4.634 30 10 IJEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC2CCCC2)cc1 1492467381 CVSZUBCCGHDLTR-HXUWFJFHSA-N 425.602 4.578 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)[C@H](C)CC)cs1 1498387182 BLFGOLLXOVXWGS-OXQOHEQNSA-N 438.601 4.533 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCC(C)C)CC1 1507720182 HTMJQMZZZMHPRK-UHFFFAOYSA-N 437.588 4.614 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](COCC)C1 1507911841 BKKLQKXAHMARIH-HXUWFJFHSA-N 434.588 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2CCCO2)CC1 1507919877 QPPPQRVNKMEJPD-HSZRJFAPSA-N 438.616 4.897 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1507925911 LCGVVCHVPYQWBX-UHFFFAOYSA-N 445.970 4.543 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1507938818 IFGXDGZXLRDKGC-QHCPKHFHSA-N 426.561 4.524 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507970468 IZYCOOKIWLOQFK-DGCLKSJQSA-N 432.288 4.952 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1507986314 MGBVHMJMVZSSJY-MSOLQXFVSA-N 434.053 4.966 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC[C@H]1C)C1CC1 1507989348 BVDQMGFUAWJOLT-HZPDHXFCSA-N 431.378 4.535 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCS[C@H](C)[C@H]1C 1508046590 CIYVERBTZMZLIX-VXGBXAGGSA-N 427.799 4.877 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCC(F)(F)C1 1509946191 GGKPWXBNCJEPSI-HKUYNNGSSA-N 442.514 4.683 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCOCC2)C1 1513564639 ASEVVLIECZUVBB-VWLOTQADSA-N 437.588 4.562 30 10 IJEE COC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[C@](F)(C#N)C2)CCC(C)CC1 1517922047 FWKLFFFVRGMGMM-QJVIICBYSA-N 431.943 4.636 30 10 IJEE Cc1cc(C)n(-c2ccccc2CNC(=O)c2cccc(OCc3ccccc3C#N)c2)n1 1517987831 CCYRIRKQVRFFJL-UHFFFAOYSA-N 436.515 4.870 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc(S(C)(=O)=O)ccc2CC)C(C)(C)C)cc1 1523243586 AEFUDMCNQQQLBI-UHFFFAOYSA-N 429.582 4.658 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC2(C)CCC2)ccc1Cl 1524394142 WOWWVERKKAHAEL-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE Cc1ccccc1COc1ccccc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1527690666 FHUVHSZRALKBGL-UHFFFAOYSA-N 429.495 4.547 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)cc2C1=O 1528035980 NPARMAYOJQZQMX-HXUWFJFHSA-N 436.920 4.703 30 10 IJEE C#C[C@H](NC(=O)Cc1cc(Cl)ccc1Br)c1ccc(Br)cc1 1528079880 DIGLFRIWGSOLLG-INIZCTEOSA-N 441.550 4.898 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccc(Cl)cc1 1528473929 ASDQYOWJYKLMOD-OAQYLSRUSA-N 429.907 4.851 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c(OC)c1 1529604382 NBAUZTJIXHZZTB-IBGZPJMESA-N 429.488 4.777 30 10 IJEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CCCCC1 1532897082 OOSFPTOQRLGPSN-UHFFFAOYSA-N 426.582 4.911 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC3(C=Cc4ccccc4O3)CC2)CCCN1C(=O)OC(C)(C)C 1533805699 MUEKAQKFNCWWPF-SANMLTNESA-N 438.568 4.799 30 10 IJEE C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1535028757 CTIDFEPZCBMBRG-OAHLLOKOSA-N 439.309 4.854 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)ccc(Br)c1OC)c1ccc(Br)cc1 1535484311 ZLLSWYXIUUVEMD-OAHLLOKOSA-N 437.131 4.633 30 10 IJEE C=CC[C@@]1(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1536491756 QKYOVEONBVWQSA-VWLOTQADSA-N 443.588 4.524 30 10 IJEE C=CCOc1ccc(COC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1 1538135568 JLSIONQQPAFUBZ-UHFFFAOYSA-N 449.326 4.801 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccncc1Cl 1538983269 PPNQDYLPRSECGZ-LSDHHAIUSA-N 425.989 4.686 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1539096029 PHGYJGXEZKDUIK-XMMPIXPASA-N 443.595 4.985 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1539504523 JADAJONOLQBDHT-LEWJYISDSA-N 426.630 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCCOCC(C)C 1539542384 YAPRFYGSPKMGDN-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1539556614 TUWITMYFGWYNIN-KYCQWFEFSA-N 428.621 4.742 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1539693344 HAAJEEOSXSQKOV-FGZHOGPDSA-N 440.588 4.712 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(C(C)C)CC2)CC1 1539859128 LMBHQUAVEQXAKW-IBGZPJMESA-N 429.609 4.943 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1539898532 VCWIOSZNJRUSQK-MJGOQNOKSA-N 430.980 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(NC(=O)c3ccccc3C)CC2)nnc1C(C)(C)C 1539931143 HBIAGSYIJVTNNH-UHFFFAOYSA-N 437.632 4.885 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1539974518 CJOAVQMBDGNOSU-TZIWHRDSSA-N 426.536 4.724 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCCCCC1 1540048510 WWCSKOMWWGFAAH-LJQANCHMSA-N 428.577 4.524 30 10 IJEE C=CCN(c1nnc(-c2ccccn2)n1CCc1cc(Br)ccc1F)C1CC1 1540102731 QTACTOAKWAUNCD-UHFFFAOYSA-N 442.336 4.639 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1Cc1ccncc1Cl 1540133993 QLUDOWCVVLAWFV-UHFFFAOYSA-N 430.943 4.553 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)C1 1540911006 QWXPUBAEBBTYNS-GFCCVEGCSA-N 445.477 4.630 30 10 IJEE Cc1nccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N(CCC#N)CCC(C)C)cn1 1542969500 IFRGONOGZUNSAW-UHFFFAOYSA-N 448.619 4.570 30 10 IJEE C#CCN(CC(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1)C(=O)OC(C)(C)C 1557933218 VWNYREOQDJLKKI-UONOGXRCSA-N 445.507 4.788 30 10 IJEE CC(C)(C)OC(=O)N(CCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1)CC1CC1 1558955695 GBEMMQYSBPLJMS-UHFFFAOYSA-N 426.542 4.657 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCCc2ccccc21 1564363628 SDHCQRQKTVJKPT-FDDCHVKYSA-N 425.935 4.780 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1567637462 SUKJGVCRHHVJGM-HXUWFJFHSA-N 446.469 4.590 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 1585096442 ARQVZBJEGGNBRC-OAQYLSRUSA-N 449.869 4.678 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CCCN1C(=O)OC(C)(C)C 1586102396 MAZFDDSOQKVACH-NRFANRHFSA-N 448.976 4.534 30 10 IJEE N#Cc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1Br 1587164091 CJZYPFBQSNTHOP-UHFFFAOYSA-N 443.251 4.526 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@H]1CC 1587758503 AWFZEGJMVGQDOD-NJDAHSKKSA-N 443.636 4.821 30 10 IJEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1587837371 BFDHRMBIWYMJRO-RBUKOAKNSA-N 442.007 4.533 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1589443372 RLUHWKHDSJZOSO-YRWFTTLQSA-N 431.378 4.617 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CSCCS2)CC1 1594013292 FCAUIVCCVYIMKV-VQIMIIECSA-N 434.606 4.562 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1594511003 HUYJEWKUJCEATL-NRFANRHFSA-N 447.583 4.533 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(F)(F)CC1 1594572725 JMBRJTSBLBPMMD-UHFFFAOYSA-N 428.325 4.638 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccnc(SC)c1 1594906694 KOUGNJAXKZSLMR-UHFFFAOYSA-N 436.404 4.557 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(OCC)CCCC1 1594914024 SXEBHHNKBWOLDA-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(N(C)C)CCCC1)C1CC1 1595070490 BMTGYMBYLLVMBR-UHFFFAOYSA-N 425.646 4.908 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1CC(C)(C)C1 1595099404 AMICRUSUBOWNLZ-UHFFFAOYSA-N 426.568 4.764 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2sccc2C1)C(C)C 1595166007 PEOKVKYYGMZHBW-NRFANRHFSA-N 436.629 4.596 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C)=C(Br)C1 1595319260 JFAAXCWQXYBRHR-MRXNPFEDSA-N 447.377 4.882 30 10 IJEE C#CCCCCCC(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1603433705 MXHJGZLDRCVJCY-NLFFAJNJSA-N 426.557 4.590 30 10 IJEE C[C@H](CCn1c(CCCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCCC1 1611400995 CFBXHGXHLHLHNZ-YIXXDRMTSA-N 448.659 4.848 30 10 IJEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CCC(OC)CC1 1614170910 CWZWTDJOPNEJFI-IRQNMHNUSA-N 437.588 4.703 30 10 IJEE C#CCOc1ccccc1CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1617657956 YPMJXOKAIUKWGJ-JOCHJYFZSA-N 436.552 4.607 30 10 IJEE C#CCN(C(=O)Nc1cccc(-c2nccs2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1622943958 XMBGANSYMHUJPN-UHFFFAOYSA-N 440.569 4.677 30 10 IJEE CCc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)N(CC)CC)cc1 1625367872 DDQVCTKUZSULFL-QHCPKHFHSA-N 436.625 4.928 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)c1 1631999224 DSNACZWZPUONRT-HSZRJFAPSA-N 426.582 4.592 30 10 IJEE C=CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CC1 1632868523 NTGVUQYQADVAON-UHFFFAOYSA-N 431.945 4.780 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(Cl)cc1I 1634791379 YWBASGCMNNXGOC-MLGOLLRUSA-N 432.733 4.879 30 10 IJEE C=CCC[C@@H](NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1 1636822136 ZVPYJIWIMAKHDK-FGZHOGPDSA-N 438.572 4.892 30 10 IJEE C=CCn1c(SCCCN2CCC(Cc3ccccc3)CC2)nnc1-c1cccnc1 1640790670 DVQHBHHIBRYETQ-UHFFFAOYSA-N 433.625 4.963 30 10 IJEE Cc1ccc([C@@H]2CSCCN2CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 1653355431 CNHRKXBSQUDJJK-QFIPXVFZSA-N 428.001 4.994 30 10 IJEE Cc1ccc([C@H]2CCC[C@@H]2N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 1654328559 HOBFTAFXSQCXNN-QUCCMNQESA-N 433.371 4.586 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(-c3nc[nH]n3)c2)cc1OCC 1655865231 BFBNNPHOSCDSOY-UHFFFAOYSA-N 429.318 4.810 30 10 IJEE C=C[C@@H](Sc1nnc(COc2ccc(CC)cc2)n1[C@@H](C)c1ccccc1)C(=O)OC 1656018947 SZXQKZPEBIXPKA-LAUBAEHRSA-N 437.565 4.849 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)cc1OC 1657627841 IPZPNZIXMCQRFG-RTBURBONSA-N 436.980 4.839 30 10 IJEE C#C[C@@H](NCc1cc(OC)c(OCC(F)F)c(OC)c1)c1ccc(Br)cc1 1658192832 FRNQCIUHWIBCAR-MRXNPFEDSA-N 440.284 4.574 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)cc1Br 1663730310 GVQKIKBMKVSYNJ-LJQANCHMSA-N 431.355 4.627 30 10 IJEE C=C(Br)CNC(=O)NCCCCCCc1nc(-c2ccc(Cl)cc2)no1 1667753709 ZLMXDJFJWDRNGL-UHFFFAOYSA-N 441.757 4.701 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1C#N 1670179322 FAMNNOPKYQJRHI-UHFFFAOYSA-N 434.540 4.683 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](N2CCCC2=O)CC1)c1ccc(C(F)(F)F)cc1 1670826607 JASSYYNKNVVPOH-VQTJNVASSA-N 437.506 4.899 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C 1676601806 OQXDIHWKYFFAKD-OAQYLSRUSA-N 431.577 4.886 30 10 IJEE CCOC(=O)c1oc2ccccc2c1CNC(=O)Nc1ccc(C#N)c(Br)c1 1677425374 DOUYLMUKZKNWDH-UHFFFAOYSA-N 442.269 4.565 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 1677429835 WTLDPLNAKIKPBZ-SFHVURJKSA-N 445.494 4.650 30 10 IJEE N#Cc1sc(NC(=O)N2CCc3c(Cl)ccc(Br)c3C2)nc1Cl 1678319460 AMRYLNVQYGYOMN-UHFFFAOYSA-N 432.130 4.674 30 10 IJEE C=C(C)[C@H](NC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1678459668 KDSUVWIGTHOZSJ-SFHVURJKSA-N 425.520 4.965 30 10 IJEE C#CCOc1ccc(CNC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 1681652386 KFHDVTNDRSPOBV-UHFFFAOYSA-N 436.861 4.902 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)NCc3cc(Cl)ccc3Br)CC2)c1 1683567053 AZZWUDWZQXLZKY-UHFFFAOYSA-N 448.748 4.727 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 1684418947 AAMCGRDVUCEKNJ-QKNQBKEWSA-N 426.923 4.539 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OCCCC)CC1 1690412012 ZZYSGJNGBTXUAV-OAQYLSRUSA-N 425.577 4.544 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 1690417587 YGRHBEDDXFPGRC-UXHICEINSA-N 442.629 4.797 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@](C)(CC)C1 1690473857 JJEVLOINSLPLNB-FQEVSTJZSA-N 437.357 4.818 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690502811 HDINKEHUWYMCPB-HXUWFJFHSA-N 432.996 4.975 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCc1nccs1 1690579162 GPHZFVMLWFIRDI-UHFFFAOYSA-N 439.585 4.961 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1690579192 HNYOLSXGTIVCAV-QGZVFWFLSA-N 433.622 4.644 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(Cc2cccs2)CC1 1690629207 KMAQKWLQMFVBGZ-QGZVFWFLSA-N 444.004 4.641 30 10 IJEE Cc1csc([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C#N)CC2)n1 1693317683 CUBLQXCSPUBNKO-KFKAGJAMSA-N 442.633 4.505 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CCCN(C)C(=O)OC(C)(C)C 1705478250 YMPLAFJRLYSTNS-TZIWHRDSSA-N 439.604 4.535 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccnc(Oc2ccccc2F)c1 1705483226 PZLSMFDDBQDVHA-MRXNPFEDSA-N 431.471 4.679 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCc1csc(C(C)(C)C)n1 1705600744 LCDRAHMJMMBNQL-UHFFFAOYSA-N 445.636 4.523 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1705610539 SONICFJTRDVUBF-VXKWHMMOSA-N 446.643 4.654 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(F)c1 1705695799 JYKPIUFGBCYZMK-WIYYLYMNSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccco1 1705696407 GPTQWHXZBROQRH-HMFYCAOWSA-N 440.519 4.768 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCC(F)F 1705697951 YZVJCQRHOULDFM-SCLBCKFNSA-N 428.886 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CCCS1 1705711572 PFLAKWKFWORMIL-IBGZPJMESA-N 438.439 4.734 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705727689 UUZWNSFYUVUJOZ-QHCPKHFHSA-N 436.556 4.829 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705813762 SMEPXLDGDPZRHY-GOSISDBHSA-N 444.023 4.943 30 10 IJEE C=CCN(c1nnc(C2CCCC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C)C1CC1 1705852820 GHOHLYVYXYMVGC-UHFFFAOYSA-N 428.890 4.545 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@H]1CCOC1 1705942356 PLDZWXBXUXZLIF-SFHVURJKSA-N 444.601 4.957 30 10 IJEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)c1cccs1)N1CCCC1 1708780871 HXQNVWTYPJQUIH-GHTZIAJQSA-N 434.613 4.950 30 10 IJEE 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429.863 4.617 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(c3ccccc3Cl)C2=O)c1 1863076430 NLCQVFCJLQUHRJ-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)c(Cl)c3)C(=O)N(Cc3cccnc3)C2=O)cc1 1863283675 GDKOOFVSHOOBSF-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(C#N)c1 1867183609 DZMLRGVINAADHE-MGPUTAFESA-N 429.973 4.582 30 10 IJEE CC(C)C[C@H](C(=O)N[C@H](C)C(=O)Nc1ccc(C#N)cc1)c1cccc(Br)c1 1867198512 QXCNSPWSKRQZCS-QRWLVFNGSA-N 442.357 4.594 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 1870139328 KQYVPJBYIJNDAU-UHFFFAOYSA-N 443.894 4.572 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)CCCOc1ccc(Cl)cc1 1870147054 VBNAXPGWLQQASG-UHFFFAOYSA-N 449.820 4.609 30 10 IJEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CNc1ccccc1C(C)C 1871067624 NQBBEVFMWNXMFP-UHFFFAOYSA-N 446.547 4.892 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(C[C@H]1COc3ccccc3O1)CO2 1871359574 QXZSQNXYSWIFDN-DDJHGGCISA-N 447.512 4.665 30 10 IJEE Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871369739 VYZQZPXSSWELSP-JAIQZWGSSA-N 446.371 4.647 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(CC)CCc2ccncc2)C1=O 1871394469 ZUHOCMVMUBZVND-UQQQWYQISA-N 444.531 4.867 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc4c(c3)OCO4)c2C)C1=O 1871429411 GDPFXYWYSDKMON-JMIUGGIZSA-N 449.484 4.727 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(CC)cc1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872080184 QKLDUWWISBQFBP-HSZRJFAPSA-N 428.598 4.706 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1872177520 ADJBULRETPNTEM-HSZRJFAPSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872256194 WBDKDGIZGVAOKO-JOCHJYFZSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872447483 FHNPVXXUPOGUHI-SFHVURJKSA-N 434.989 4.859 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1ccccc1 1872496754 ZBOISFVFXLOOPI-WMZHIEFXSA-N 428.598 4.869 30 10 IJEE COc1cccc(-c2csc([C@H](C#N)C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 1872762244 GZSYEUHIJXZLRC-GOSISDBHSA-N 448.504 4.817 30 10 IJEE COc1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c(OC)c1 1872766674 JGPYSNPSJSAZDC-AUNFYEFLSA-N 426.444 4.995 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cccc(OC)c1OCC 1874351668 CXCGGLDBANJZRC-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C2CCCC2)c1 1874452890 SRSOZVSRFNGNSR-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)c1 1874464057 OTBGJTBQTIFMCA-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CCN(CC)c1ccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2C(C)(C)C)cc1 1874485581 CPTKSVQNEAPOCG-ZVHZXABRSA-N 445.633 4.595 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1c(C)cccc1C 1874525254 DVZZEGVTLDIBJX-MFKUBSTISA-N 449.580 4.635 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@](C#N)(Nc2ccccc2Br)CC1 1888111141 CEHYKNXRPNOZFC-QGZVFWFLSA-N 430.293 4.790 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(F)cc1Br 1898226417 YISMVYORJMLELS-MSOLQXFVSA-N 427.358 4.936 30 10 IJEE C=CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1I 1969553872 UYODBGDYCRHCGM-QMTHXVAHSA-N 434.115 4.528 30 10 IJEE CN(C)Cc1nn(-c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1Br 2079174515 NALMBYJXEMDVBJ-UHFFFAOYSA-N 434.153 4.873 30 10 IJEE CC(C)(C)OC(=O)c1nn(-c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1[N+](=O)[O-] 2079196106 PWVICXLHFIRSCW-UHFFFAOYSA-N 443.275 4.913 30 10 IJEE Cc1c(Nc2cc(Br)ccc2I)ccc(N)c1C#N 2142498607 JMPIBUMDBJJYQM-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1Nc1ncc(Br)cc1C#N 2162332784 ATFPFFWMFXYAAA-CJNGLKHVSA-N 435.366 4.601 30 10 IJEE CC1(C)CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180988492 CJFHHLWYQHSXIQ-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(C(F)(F)F)ccc1Br 2228072064 HUXQCGTXWIMUGE-AWEZNQCLSA-N 437.256 4.916 30 10 IJEE CC(C)(C)OC(=O)NC1(C(=O)C#Cc2ccccc2Br)CC(C2CCC2)C1 2235716551 GLVPWTUIVMZZER-UHFFFAOYSA-N 432.358 4.843 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2235718191 CXYYDUKTLOSFBI-XWFZLUIHSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2235731678 QXNVDTKXNVZWCU-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2260371698 DAURFDUABJDKIP-FXAWDEMLSA-N 447.450 4.865 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2262206195 NSDHUNXTGXNFBK-BKSPAHHJSA-N 447.572 4.703 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)c1 2266052342 QVABSSDXOGQRAV-UHFFFAOYSA-N 443.328 4.919 30 10 IJEE CC1(C)OB(c2ccnc(Nc3ccc(Cl)c(Br)c3)c2F)OC1(C)C 2266060309 LAKQZTFUMRPLOT-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC(C)(C)OC(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c2ccccc21 2267096837 LRYIDJAAGCUWFP-IRXDYDNUSA-N 442.365 4.647 30 10 IJEE C=CC[C@@]1(COc2cc(F)c(Br)cc2N)CCCN1C(=O)OC(C)(C)C 2272083151 FFCYSHVHJMYEMJ-IBGZPJMESA-N 429.330 4.895 30 10 IJEE COC[C@@]1(CNc2c(Br)cccc2C#N)CCCCN1C(=O)OC(C)(C)C 2285241692 LZEXMLODQAXRDO-FQEVSTJZSA-N 438.366 4.539 30 10 IJEE C=CCC1(COc2nnc(Br)c(C)c2C)CCN(C(=O)OC(C)(C)C)CC1 2287692938 NBGOEMQDWUFNKN-UHFFFAOYSA-N 440.382 4.828 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2296274800 WFSCGAJIJFVLIR-UXHICEINSA-N 431.374 4.558 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]12C[C@H](CCN1C(=O)OC(C)(C)C)C2 2296298045 GBJZSLSHHSKEGZ-JUXOCIIHSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2296310813 ODOSSVSIVJFFGH-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C1)C[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1)CS2 2301642065 PZMFVFXYTQDVMO-JOCHJYFZSA-N 445.585 4.817 30 10 IJEE O=C1NC(=Nc2ccc(F)cc2)SC1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2313558161 UOJIZRZFKNQZGE-UHFFFAOYSA-N 448.475 4.995 30 10 IJEE CCOc1c(OC)cc(C=NNc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2323852323 XLGULWQOPLPYEB-UHFFFAOYSA-N 443.525 4.689 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2OC(=Cc2c(Cl)cccc2Cl)C3=O)C[C@@H](C)O1 2324017449 RGHFHMRZYHURID-BETUJISGSA-N 434.319 4.924 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O 2324471081 RQYMIKOULCNSIL-HNNXBMFYSA-N 433.435 4.857 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CCC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2325504117 CQMFKXHJYAWPGB-CJMBIHEQSA-N 442.600 4.992 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(C)cc3)n2N=Cc2ccco2)cc1OC 2326752526 RPLPZZCIJVECTI-UHFFFAOYSA-N 448.548 4.962 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1c[nH]c2ccccc12 2328264128 KQBAPYFAOMWGIR-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2N=Cc2ccc(OC(C)C)c(OC)c2)cc1 2328561857 GMXQWBIHWSCPPS-UHFFFAOYSA-N 440.569 4.668 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2328897245 RILZQQFWELYTJL-UHFFFAOYSA-N 437.525 4.933 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCCO)nnc2-c2cccs2)cc1OCC 2330616081 WQGLOSYQQBRYGD-UHFFFAOYSA-N 446.598 4.551 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 2330632613 RYELHMRUDKTCRK-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)c(OC)c2)cc1OC 2330734525 HFZLENZVVOAAQV-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)cc1 2331299308 SUVNDKYOFHFBKZ-UHFFFAOYSA-N 432.549 4.803 30 10 IJEE CC#CCN(C[C@@H](NCC)c1c(C)ccc(Br)c1F)C(=O)OC(C)(C)C 2337910982 RUGMWWOZDYRUEZ-MRXNPFEDSA-N 427.358 4.808 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(F)ccc2Br)OC1(C)C 2339393574 PZKFBAMAAZFBHI-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CC1(C)OB([C@@]2(C)CCN(C(=O)c3cc(Br)ccc3Cl)C2)OC1(C)C 2342471235 AAKPMZGIGYZUGJ-SFHVURJKSA-N 428.563 4.801 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](N)c2cc(Br)cc(OC3CC3)c2)C1 2362762511 FFOCVOZSEUWXRQ-SFHVURJKSA-N 437.378 4.851 30 10 IJEE COCc1ccc(CN(C(=O)OC(C)(C)C)[C@@]2(C#N)CCCC3(CC2)OCCO3)s1 2368034524 GJUDRYCHNCBTDI-NRFANRHFSA-N 436.574 4.601 30 10 IJEE Cc1cc(CN[C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369618956 PLBLWXVCEAOHAX-XMMPIXPASA-N 446.444 4.581 30 10 IJEE C=CCSc1ccccc1N[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371199375 KRJZIXXKSPYXKM-HSZRJFAPSA-N 426.538 4.633 30 10 IJEE Cc1cc(OCc2ccc(I)c(Br)c2)nc(C)c1C#N 2377626025 XOHNZOKUGMEQRW-UHFFFAOYSA-N 443.082 4.516 30 10 IJEE CCNC(=S)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 8798155 CVMCSEDNBGNILV-FOKLQQMPSA-N 426.369 4.789 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)N1C 8816002 BVPDNCDBMXMOGU-YQMDHOPXSA-N 431.945 4.556 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(CC(=O)O)cc2)cc1 13194816 UPERHNPNPSCCDC-JOCHJYFZSA-N 447.512 4.721 30 10 IJEE COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1C#N 16267803 WJKWNGZKFJRTOB-RMORIDSASA-N 425.832 4.676 30 10 IJEE CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)ccc1OC(C)C 21250194 VFBPYTHMMZVIOT-FPOVZHCZSA-N 449.547 4.885 30 10 IJEE Cc1ccccc1N/C(=N\C(=O)c1ccc2c(c1)OCO2)NCCc1c[nH]c2ccccc12 32943094 AWKQNBQJXJMOBY-UHFFFAOYSA-N 440.503 4.646 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)cc1 33790652 FSSRERWOTDCAKN-LPYMAVHISA-N 449.001 4.940 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCOC)cc1 39911705 HJZMINOSOTVXGC-XMMPIXPASA-N 447.535 4.546 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)cc(C)c3C2=O)cc1 41432612 YQTOUGRYPXFLFK-QRVIBDJDSA-N 430.456 4.742 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 60482530 IEGKTAIMGAQTNA-CQSZACIVSA-N 441.984 4.684 30 10 IJEE CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1 64874191 SVKSYFICUCDCKK-DEOSSOPVSA-N 442.519 4.865 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccccc2C#N)CC1 95083521 MIMKFLMBMUOYGQ-UHFFFAOYSA-N 431.540 4.768 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 135628091 XKOHWOAHKYRRNW-LCPUNJGISA-N 433.533 4.905 30 10 IJEE CSc1nnc(COc2ccccc2)n1/N=C\c1ccc(OC(=O)c2ccccc2)cc1 169916518 CUPMODOAYSHUNN-XYGWBWBKSA-N 444.516 4.680 30 10 IJEE CCOc1c(Cl)cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)c2ccccc2)cc1OC 169934857 MESKIOUWKQXSPO-IBGZPJMESA-N 430.957 4.765 30 10 IJEE COC(=O)c1sc(N/N=C\c2ccc(OC(C)C)c(OC)c2)nc1-c1ccccc1 169943471 KSGKCSROKPVJGF-QRVIBDJDSA-N 425.510 4.839 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@H]2c2cccs2)cc1 169988707 YGUDYFXXPXOUQB-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2cccnc2)c1 170000903 YTPVZIKFOMGRPO-DEOSSOPVSA-N 428.488 4.582 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@H]2c2ccncc2)c1 170021707 GONLKKYLHUOFSK-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(F)cc2)c1 170060825 VYQVWCNXOJUKQZ-LJQANCHMSA-N 438.480 4.691 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@@H]2c2ccco2)c1 170096304 FFNKICWBBVATCY-HSZRJFAPSA-N 447.487 4.508 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccn2)cc1 170169157 NPYCKNZMORDQME-JOCHJYFZSA-N 432.451 4.792 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1cccnc1 170190573 JNZGFEICLNNFLY-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccco2)cc1 170289797 XLVFNDJOWDTIEW-QHCPKHFHSA-N 442.471 4.969 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 170412457 VTSGUZVBEPEFAZ-XMMPIXPASA-N 442.515 4.540 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccco1 170422868 WWDJHAPKIGLAAI-GOSISDBHSA-N 429.259 4.760 30 10 IJEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1ccccc1C(=O)c1ccccc1 170536709 YBMJWJDAYHOFMO-UHFFFAOYSA-N 443.466 4.775 30 10 IJEE Clc1nc2sccn2c1C=NN1CCN(C(c2ccccc2)c2ccccc2)CC1 254291607 XQTGCZUZXPNZNE-UHFFFAOYSA-N 435.984 4.790 30 10 IJEE Cn1c(N)c(-c2nc3ccccc3n2C)sc1=NC(=Nc1ccccc1)c1ccccc1 254591862 CHAWCYLJJHSGTH-UHFFFAOYSA-N 438.560 4.902 30 10 IJEE N#Cc1ccnc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 435999004 XCKKMMDZQLNHTM-UHFFFAOYSA-N 446.923 4.585 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 460787216 BEMVRQGJAJLGNR-QHCPKHFHSA-N 448.567 4.834 30 10 IJEE CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)o1 464896785 OOSOKLQSQGZXHF-UTKZUKDTSA-N 428.554 4.533 30 10 IJEE Cc1ccc2nc(COc3cccc(C(=O)Nc4nc5c(cc4C#N)CCCC5)c3)cn2c1 484149564 UAGUMHBGXUAQNF-UHFFFAOYSA-N 437.503 4.620 30 10 IJEE C=CCN(C(=O)Cc1csc(-c2ccc(CC)cc2)n1)c1nc(C(=O)OCC)cs1 501950546 OKQHUPULPKHHTG-UHFFFAOYSA-N 441.578 4.767 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)NCc1nc(-c2cc3ccccc3o2)cs1 505673926 ZKKWBCYNQHYIDL-UHFFFAOYSA-N 431.517 4.930 30 10 IJEE N#C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)C1CCCCC1 506513479 YMZILXGNGPACAR-GOSISDBHSA-N 427.574 4.724 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](c2c(F)cccc2F)C1 508824120 HFBOBLMUQYZUBV-YDHSSHFGSA-N 436.506 4.981 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 508939108 QMGGRUKGPWEXGI-IVZQSRNASA-N 444.988 4.774 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nc(C(=O)OCC)cs1 510498704 DPQLREAKRITREM-UHFFFAOYSA-N 443.912 4.993 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccnc(C(F)(F)F)c1 514627889 VNYNOICNXGSQLT-UHFFFAOYSA-N 448.470 4.740 30 10 IJEE CC(=O)c1cccc(NC2=C(Sc3ccccc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 526636081 HDWZGTPPPKWVGX-UHFFFAOYSA-N 439.496 4.750 30 10 IJEE Cc1ccc(SC2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3)C2=O)cc1 526660086 KVBZJYLBWRLWJB-UHFFFAOYSA-N 429.476 4.995 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ncc(Br)cc2Br)c1 546060597 DJNOAWOYLLHQRV-UHFFFAOYSA-N 426.108 4.814 30 10 IJEE COC(=O)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1Br 548410149 PMJLNWDYGRRFBC-UHFFFAOYSA-N 430.302 4.550 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 562024919 QKRMNNLCQNNJFF-GOSISDBHSA-N 449.628 4.772 30 10 IJEE CCCOc1ccccc1Oc1ncccc1CNC(=O)NCc1ccc(C#N)cc1F 609253174 QXIHRKNIAJDXFX-UHFFFAOYSA-N 434.471 4.673 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 669815987 HSNFEDOSVFTYQN-LJQANCHMSA-N 437.613 4.581 30 10 IJEE C#CCN(C[C@@H](NCCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 689351346 PYWRNMJQBHSGTD-MRXNPFEDSA-N 431.321 4.638 30 10 IJEE CS(=O)(=O)OCc1cc(Br)cc(C(F)(F)F)c1OCc1ccccc1 705946798 KCJBVLZRDGARHJ-UHFFFAOYSA-N 439.249 4.523 30 10 IJEE CCOc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)nc2O)cc(Br)c1O 731562489 CNBRCKCYGHBIMG-HYXAFXHYSA-N 432.192 4.569 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)cc1 733200872 IGBNXGBPWGJQKX-FQEVSTJZSA-N 439.968 4.940 30 10 IJEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)ccc1Cl 745229845 JUFFBMCCCYFPTL-FUHWJXTLSA-N 432.854 4.520 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 745234297 AZUZTRSKOLBJAX-VDGAXYAQSA-N 426.463 4.564 30 10 IJEE C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 751764649 ZVUITFHAVMGFHX-UHFFFAOYSA-N 435.505 4.688 30 10 IJEE COc1ccccc1-n1c(-c2cccs2)nn(CN2CCC(C)(C#N)CC2)c1=S 779879269 JQMDIAKAZJWRHW-UHFFFAOYSA-N 425.583 4.724 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1ccc(Cl)cc1 802571913 OZGCNTBICAHMQT-UHFFFAOYSA-N 439.947 4.570 30 10 IJEE C#CCN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@@H]1CCOc2ccc(Br)cc21 1126228969 LSPHUFBAPYWSCQ-VGOFRKELSA-N 438.365 4.930 30 10 IJEE COc1ccccc1-c1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c(O)n1 1127751537 FUQWSWLYWFYYTA-KRWDZBQOSA-N 428.275 4.764 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 1141337262 ALJDJYOOFNDHRN-AWEZNQCLSA-N 444.304 4.830 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 1142940052 LHYMFPOJGRAHRW-PKOBYXMFSA-N 446.979 4.756 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Cl)cccc1OC(F)F 1151872790 SZPHZCXQGHKYQO-HNNXBMFYSA-N 432.895 4.807 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1160477991 VRHZWGAYKKXJRO-IBGZPJMESA-N 442.903 4.720 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)cc1 1199058610 FYJZUDNAYSEMAR-OAHLLOKOSA-N 432.446 4.797 30 10 IJEE C=CCc1cc(CNC(=O)Nc2nnc(-c3c(F)cccc3F)s2)cc(OC)c1OC 1208284484 TWZBMIWUBPSZSU-UHFFFAOYSA-N 446.479 4.551 30 10 IJEE C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1233981015 BPVCQXHZEUMCOU-MUEKUWCCSA-N 426.520 4.901 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)c1ccccc1 1254756092 VPRCUDLBFANALC-VWLOTQADSA-N 433.596 4.961 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)C(F)(F)F)cc1 1272452556 ARXVZCPFUUOFAY-AEFFLSMTSA-N 425.765 4.800 30 10 IJEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1286356355 GVCSQRMEPFVUGW-NRFANRHFSA-N 431.565 4.717 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)c1ccc(C)cc1 1286379859 DRVTYDSYRWVOOR-FPOVZHCZSA-N 437.588 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1scnc1C 1286570180 OVEJZAPXRSHOOB-UHFFFAOYSA-N 433.585 4.745 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC[S@@](=O)CC)CC1 1286640328 IHZZYXWZRFEACE-PMERELPUSA-N 444.601 4.738 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(F)(F)F)CC1 1286656102 WCKKCOQYAXLKKI-UHFFFAOYSA-N 436.478 4.707 30 10 IJEE C=CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@H](C(C)C)C1 1286694112 LFBKJFXIDALVFV-QHCPKHFHSA-N 436.556 4.945 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1nc(C)c(C)s1)C1CC1 1286735534 DBPGEGDEZQXWAD-UHFFFAOYSA-N 429.540 4.618 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1(CC)CCOCC1 1286745860 YKXLYEKYYKDVIW-OAQYLSRUSA-N 428.552 4.668 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@](=O)CC 1286754255 OSYQSIKWJVEQLG-MUUNZHRXSA-N 435.018 4.760 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CCC)CCC2)C1 1286802158 PEUCSYQTMVVOAW-HXUWFJFHSA-N 425.533 4.605 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCC(F)(F)CC2)C1 1286805325 QPXLDQUJZSSZEE-KRWDZBQOSA-N 437.922 4.600 30 10 IJEE CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2N(C)CCCC2(C)C)cc1 1292503038 CYEOZMOKUAXCBM-BKMJKUGQSA-N 434.632 4.758 30 10 IJEE C=CCc1cc(C(=O)N2CCC[C@H]2c2ncc(-c3cccc(OC)c3)[nH]2)cc(OC)c1OC 1294365566 REZRRGPCAAXFGW-QFIPXVFZSA-N 447.535 4.808 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@](C)(CC)C1 1300344596 FBFMPHTXQDNRRB-OAQYLSRUSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C2CCCCC2)CC1 1300353996 UALWPYXRUJPKIU-UHFFFAOYSA-N 426.008 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCOC[C@H]1OC 1300905032 JOTIUWVLVYNIST-WOJBJXKFSA-N 444.645 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1Cc1c(C)nn(-c2ccccc2)c1C 1300918744 HDGUPWGYUNVYMR-UHFFFAOYSA-N 441.583 4.517 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCN2CCC)CC1 1301113729 DHVKQSLYHIEFHH-FQEVSTJZSA-N 429.012 4.660 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301143300 HXGGMLUTXNOWJE-MRXNPFEDSA-N 428.886 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nnc1C(C)(C)C 1301159298 YBUYMOUAVHYJHO-UHFFFAOYSA-N 444.023 4.794 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](COC(C)C)C1)c1ccccc1 1301165829 LEDNZFDMDLLMBD-PKTZIBPZSA-N 440.632 4.857 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1301225953 NRDPELHMRQBHHX-XMMPIXPASA-N 438.616 4.698 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1301238651 BVCTYMIVWAPIIB-JPYJTQIMSA-N 437.563 4.740 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H](OC)C(C)(C)C)C1CC1 1301317333 QGSDWHKQKUGHSP-GOSISDBHSA-N 433.394 4.924 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC2(CCCC2)C1)C(C)C 1301366648 GRHNGSYQBKUHMD-GOTSBHOMSA-N 441.664 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(OC)CCCCC1 1301371619 DPVATMHPFOSURW-UHFFFAOYSA-N 434.382 4.563 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCC[C@@H]1C 1301373533 XTCLCLAHJNMBLL-IUKKYPGJSA-N 430.980 4.801 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CC1(SC)CCN(C)CC1 1301383707 IBKQKLVRDGZIDY-UHFFFAOYSA-N 432.037 4.604 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCCO1 1301397070 LDXLHHOUZZMGTF-OAQYLSRUSA-N 437.371 4.911 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCC[C@H](COC)C1 1301606055 IEVWFHGQHVXXGU-SFHVURJKSA-N 425.602 4.599 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(COC)CCC1 1305462012 AOVYNNVZNKOVPP-IBGZPJMESA-N 437.588 4.528 30 10 IJEE C=CCn1c(SCC(=O)c2c(C)noc2C)nc2sc(-c3ccccc3)cc2c1=O 1307283123 AQBAPVHAPOIMSQ-UHFFFAOYSA-N 437.546 4.891 30 10 IJEE C=CCCN(OCc1ccccc1)[C@H](C(=O)OCC)c1nc(Br)sc1C 1307697180 IRUNQTOBXLJWOU-KRWDZBQOSA-N 439.375 4.828 30 10 IJEE C#C[C@@H](NC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(Br)cc1 1308784748 MBZZUUXULCUHEE-LJQANCHMSA-N 433.390 4.893 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccc(F)c(F)c1 1309418498 NWQLJQAPWRFAAW-OAHLLOKOSA-N 425.350 4.598 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccccc1 1310139240 NJWQHQLWZJWXQH-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 1312904566 ALTCWPOAYJRCAL-UHFFFAOYSA-N 439.556 4.618 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nn(CC)cc1Cl)c1ccc2c(c1)OCO2 1348805167 HDSYVHNYDVDLFA-UHFFFAOYSA-N 439.899 4.697 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)c(OC)c1 1349159335 XBDACRJJVIAZLR-SFHVURJKSA-N 443.565 4.514 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 1351046235 FQCVRCATHUEZRP-FYYLOGMGSA-N 426.582 4.661 30 10 IJEE N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 1354098604 CYKUAELTZQFLJA-UHFFFAOYSA-N 444.418 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)CCC(C)C 1358875924 YWJOUHIUTMTIJK-HRFSGMKKSA-N 447.627 4.998 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CC1(C)C 1359067663 WYBZOEAIOFLDND-SPLOXXLWSA-N 431.353 4.885 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C)C1 1359090822 GSAHFCDBWNKWPB-MOXWOTFGSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1csc(CC)n1 1359100955 IJQLOERMXMDFOX-UTKZUKDTSA-N 443.642 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1cccs1)N(C)C 1359109840 QRIJQANCOVVVJI-HXUWFJFHSA-N 425.602 4.721 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CCOc2ncccc2Cl)CC1 1359180720 PKPSSRBJUMRSAJ-UHFFFAOYSA-N 437.975 4.593 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359186740 RBGROHOMUJXQBM-JOCHJYFZSA-N 432.616 4.597 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1359202976 GIGVIAJLRCVHCD-SFTDATJTSA-N 440.588 4.887 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](OCc2ccccc2)C1 1359221758 MIXNGQPAGJMIIA-YTFSRNRJSA-N 438.616 4.958 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC2(CCCC2)C1)C(C)C 1359265509 HIUUJJRCTRNWMO-QHCPKHFHSA-N 434.632 4.809 30 10 IJEE C=CCC[C@H](C(=O)NCCC(=O)Nc1cc(Br)ccc1C)c1ccccc1 1435000117 ZSNADSICOWMWMR-IBGZPJMESA-N 429.358 4.952 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 1435044231 LKAUARPIPSMCCE-MRXNPFEDSA-N 444.494 4.939 30 10 IJEE C#C[C@@H](NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1436652018 WBINIUFUQXUAJD-QGZVFWFLSA-N 426.701 4.664 30 10 IJEE C=CCn1c(SCc2ccc(N(C)C)nc2)nc2sc3c(c2c1=O)CCCCC3 1458722720 CHDPWMWPBCGPNO-UHFFFAOYSA-N 426.611 4.666 30 10 IJEE C=CCn1c(SCC[C@](C#N)(C(C)=O)c2ccccc2)nnc1-c1ccccc1OC 1458778387 UKRLEZYPHUHCNU-DEOSSOPVSA-N 432.549 4.672 30 10 IJEE C#CC[C@]1(C(=O)N(C)c2nc3cccc(Cl)c3s2)CCCN1C(=O)OC(C)(C)C 1459717912 TXWQRJLKWPUAOO-OAQYLSRUSA-N 433.961 4.706 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc1OC 1462554471 HGNIGWSHRPABDN-AUSIDOKSSA-N 436.980 4.935 30 10 IJEE C=C[C@H](C(=O)Nc1ccc(CS(=O)(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 1464238776 ITEJLLWESMZNPS-QHCPKHFHSA-N 436.533 4.545 30 10 IJEE C=CCN(CCC#N)C(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1468405514 MSHDWYMIAPZTDF-VWLOTQADSA-N 445.563 4.964 30 10 IJEE C=CC[C@@]1(C(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)CCCN1C(=O)OC(C)(C)C 1469111076 AZFBUXMRFTWRDB-VWLOTQADSA-N 444.572 4.541 30 10 IJEE C=CCSc1ccccc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 1471918370 PWQDFELTFZSDQA-HOTGVXAUSA-N 444.519 4.882 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2CCCCCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472907626 GSDBGPWGSZHOTJ-CVEARBPZSA-N 445.654 4.652 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1F 1473519799 SCDALDKCORXQLH-UONOGXRCSA-N 425.367 4.904 30 10 IJEE C=CCc1cc(CNC(=O)N2CC(OCc3cccc4ccccc34)C2)cc(OC)c1OC 1477658159 QKDLDWDVQMWPCR-UHFFFAOYSA-N 446.547 4.696 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OCCC)nc1 1507518004 SMPHYZRAFNFUEO-CTNGQTDRSA-N 447.583 4.725 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCCS1 1507521110 KPEHVSWXECAADJ-DZGCQCFKSA-N 437.382 4.590 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H](c1cccnc1)C(C)C 1507601544 HFKIJJSMBADFPO-GMAHTHKFSA-N 431.584 4.939 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1OCC 1507606654 SQEKDZQBPOXHER-QGZVFWFLSA-N 434.609 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1507803706 COVIXOUJKHQRIJ-KNKQGSTJSA-N 446.542 4.628 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1507833819 JVESPXDTLCJLFG-UHFFFAOYSA-N 442.995 4.888 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1507911106 ILXBSVDEWOQGIN-IBGZPJMESA-N 444.023 4.943 30 10 IJEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507942774 WLKMRYONRXOLEK-IBGZPJMESA-N 436.560 4.810 30 10 IJEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1507953624 HRZVHNBVFXBWHK-AQNXPRMDSA-N 447.624 4.568 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1c(C)noc1C)C1CC1 1507988553 OJNGBCVLEGBALC-UHFFFAOYSA-N 428.334 4.516 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@H](C)C1 1508008693 QJXWYBKWYKXSMQ-DXIQSLLYSA-N 428.552 4.667 30 10 IJEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1508155335 MKRDCYKESYRFPZ-FQEVSTJZSA-N 436.629 4.922 30 10 IJEE CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1512620580 CIVZLLKWMMYUFD-UHFFFAOYSA-N 431.588 4.584 30 10 IJEE O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc(OCC(F)(F)F)cn1 1519559541 FIQYKXXZRBJXFF-CYBMUJFWSA-N 430.707 4.849 30 10 IJEE C=CCCC[C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1520520546 LXYOYGKPAPHSMP-RHSMWYFYSA-N 425.367 4.876 30 10 IJEE CC#CCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(C)cc1 1524165228 GXGSRMNSBJMTCE-UHFFFAOYSA-N 442.581 4.950 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(c3ccccc3C)CCCCC2)cc1 1525585705 CWVHFPFFEPWDOV-UHFFFAOYSA-N 426.582 4.642 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)C1 1525822923 CVZLISYSJBHNRF-RLWLMLJZSA-N 446.551 4.524 30 10 IJEE CCCc1nc(C(=O)Nc2cccc(C#N)c2Br)nn1-c1ccccc1Cl 1525919934 CPDPBAYQQJVYDK-UHFFFAOYSA-N 444.720 4.760 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(C(=O)N[C@@H](C)CC)cc1 1526837926 NHVZHUGHQFADJK-HNNXBMFYSA-N 434.458 4.729 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 1529305194 IJBPHCFHPBDTQS-UHFFFAOYSA-N 438.593 4.647 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(OC)c(OC)cc2Br)cc1 1529654524 GIXFPZCJHAHUJI-UHFFFAOYSA-N 448.313 4.728 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1ccc(Cl)c(I)c1 1530819211 LCXWZLQQCDPCMR-UHFFFAOYSA-N 428.653 4.901 30 10 IJEE C=CCc1ccc(OCC(=O)n2cccc(Br)c2=NCCCCC)c(OC)c1 1531918426 QRTPONVPWPTPIJ-UHFFFAOYSA-N 447.373 4.798 30 10 IJEE C=CCC(CC=C)C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 1534140973 SJTUSVOOJJEMMP-UHFFFAOYSA-N 434.355 4.989 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C)C[C@H]2C)c1 1536987124 AZSKLCSGDNKEBZ-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(C)C 1538974259 SACDAJNKUSDDCA-MOPGFXCFSA-N 432.996 4.961 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1539071439 UBVNASWXTHIBGO-UHFFFAOYSA-N 425.596 4.522 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1539382975 VUHULEUEOHOTDU-UWJYYQICSA-N 433.021 4.744 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCC1CC1 1539614793 CFXFYTXDRSWHJZ-LZNRXBQRSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1cccc(C)c1 1539629994 COTFABIBNVEJCR-NZQKXSOJSA-N 426.605 4.672 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539642747 RTJCSUFLVDKEJH-XUZZJYLKSA-N 438.616 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)c1ccco1 1539652595 ZCDINGJXLUDMMZ-OAQYLSRUSA-N 445.361 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C(N)=O)cc1 1539656107 TZPPEHUQSFIRNB-KRWDZBQOSA-N 449.624 4.681 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539690893 AVNFANYFUJQKSQ-GOSISDBHSA-N 441.377 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539912871 VLFUDMFOBSOOIL-QFIPXVFZSA-N 441.583 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(Cc3ccc(OCC)cc3)CC2)nnc1C(C)(C)C 1539932155 WTLKWLWLRXHYOF-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCCc1ccccc1 1540051715 LFXHPYKBKKVMIP-UHFFFAOYSA-N 428.378 4.691 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CCCC2)C1 1540912069 LPBGUARMFGXEPU-UHFFFAOYSA-N 428.602 4.652 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 1541125733 AXDWISVPKWVNDV-RTWAWAEBSA-N 426.944 4.852 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CC[C@@H]2CCO[C@H](C)C2)cc1 1542467285 GTIFPKCCXIKBNZ-IFMALSPDSA-N 437.588 4.501 30 10 IJEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CCCCC1 1543288738 OYNMELRHZROKOT-UHFFFAOYSA-N 446.657 4.716 30 10 IJEE CCOC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(C#N)cc1 1547831448 BTAMXCXBKSZGOI-NHCUHLMSSA-N 439.604 4.520 30 10 IJEE CS[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1555856875 GYTJMHYGJMVRNI-AUSIDOKSSA-N 429.609 4.673 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2CC)CN(C(=O)OC(C)(C)C)C1 1556473543 CMGVEVPKKNIYSN-UHFFFAOYSA-N 444.963 4.840 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 1557620578 ZKBMEBWHFXPOQO-HDICACEKSA-N 430.957 4.772 30 10 IJEE C#CCN(Cc1cc(F)c(C(F)(F)F)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1560143272 WERDIOGSWUSQQC-UHFFFAOYSA-N 432.433 4.818 30 10 IJEE CC(C)Sc1ccc([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2C#N)cc1 1561239160 DTNPIIUDDRBATO-CYBMUJFWSA-N 439.400 4.861 30 10 IJEE CC(=O)c1ccc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F 1561417157 NTKPKVDHBLIIFL-OAHLLOKOSA-N 443.340 4.629 30 10 IJEE C=CCCCN(CC)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1562866450 TXRWYUZWKURQBJ-UHFFFAOYSA-N 431.558 4.624 30 10 IJEE Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2)cc1 1564358872 BYAJOQHOXBVMAI-VWLOTQADSA-N 438.531 4.529 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 1564913520 NDOZQHQCNJTAFA-QFIPXVFZSA-N 431.502 4.720 30 10 IJEE C#C[C@@H](NC(=O)c1cc(-c2c(C)nn([C@H](C)CC)c2C)[nH]n1)c1ccc(Cl)cc1F 1568898658 UFHNTRWCIKJGEA-KZULUSFZSA-N 427.911 4.758 30 10 IJEE C=CCCOCCNC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1584234340 HICBJLYEYSWGII-QGZVFWFLSA-N 431.360 4.610 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(CCC)CC1 1587592333 BAHUWBJIPIWHMP-INIZCTEOSA-N 434.415 4.832 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](OCC=C)C1 1587705975 KZMTWEAZNOZSTH-DEOSSOPVSA-N 443.595 4.937 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](CCOC)C1 1587718632 LAOQUVYLITUGCB-IBGZPJMESA-N 426.630 4.942 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CCCC1(C)C 1587940105 MOLNBIQGTOTLCU-XMMPIXPASA-N 438.572 4.823 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(C)CC1CCCCC1 1589449335 BEBRYDMXELCBMA-UHFFFAOYSA-N 437.357 4.921 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N 1589505217 LRCMYHGECALFBW-CLCXKQKWSA-N 434.371 4.829 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1 1593684022 RCCCNNZKKJSWPJ-PXNSSMCTSA-N 441.576 4.829 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cc(C)cs1 1593826114 HQYLFQNFISCGKY-UHFFFAOYSA-N 440.798 4.805 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(CC)CC)N(C)C)CC1 1594134095 LFVJPCHDVWSVAQ-NRFANRHFSA-N 429.584 4.519 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1594582622 RURWOOLNOYKTSZ-MJGOQNOKSA-N 429.996 4.636 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(CC)C(=O)C1 1594582852 VNKRZUHLNPMDNR-UHFFFAOYSA-N 436.387 4.667 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCCN1CCCC[C@H]1C 1595093824 HGMMCVGMCAZSID-OAQYLSRUSA-N 443.599 4.602 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCCn1ccnc1C 1595127325 MJPXJWUYDPCGJM-UHFFFAOYSA-N 445.546 4.575 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN(CC(C)C)C1 1595190463 CKBYBUBEZBKFDA-LJQANCHMSA-N 429.012 4.540 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(C)CCCS2)C1 1595744356 LKFKQSNNWVDLMP-RDPSFJRHSA-N 442.629 4.541 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCCS2)C1 1595744555 MPIWBOYDQQGPPA-YADHBBJMSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOCC2(CCC2)C1 1595854897 QLRHFJGNFAFBAQ-UHFFFAOYSA-N 449.020 4.533 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1CCC)c1ccc(Br)cc1 1596985563 RTQKCOPAGRHAQX-FQEVSTJZSA-N 440.316 4.831 30 10 IJEE C=CCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 1614594282 GHSIWKKFNPOLNQ-PDWGEAQMSA-N 440.614 4.905 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1CCc2c(Cl)ccc(Br)c2C1 1618058459 FJKFVAGJORGAFS-UHFFFAOYSA-N 436.733 4.874 30 10 IJEE C#CCN(C(=O)Nc1cncc(Cl)c1C)[C@H]1CCOc2ccc(Br)cc21 1625279541 ZIQFMNFEHSDJOI-KRWDZBQOSA-N 434.721 4.797 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)cc1 1625793959 QDIKXDQPMKMUNX-UHFFFAOYSA-N 444.417 4.843 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nn(CC(F)F)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1627999082 PLKWCSRIXPQJOU-QFIPXVFZSA-N 434.487 4.586 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 1628527478 DEJGECBVPJCDBR-RBUKOAKNSA-N 440.569 4.721 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)/C=C\c2ccc(SC)s2)nc1C 1632842817 ZGGMVYXFTIRDHT-ALCCZGGFSA-N 435.625 4.620 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1 1634530113 LUNHQYBVPAXXTL-ZCYQVOJMSA-N 440.499 4.642 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)n[nH]2)c1C 1637230726 YNFGVGMGWVNHEE-HNNXBMFYSA-N 438.601 4.936 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)C1 1640066049 DFKGFLIGOMEFON-OAHLLOKOSA-N 436.936 4.708 30 10 IJEE C=CCOc1ccc(CN(CC(=O)Nc2ccc(Br)cn2)C(C)(C)C)cc1 1642215586 XOQWPPKBVDQHFK-UHFFFAOYSA-N 432.362 4.648 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]c2ccc(C)cc2c1=O 1650750059 YPIJMJWFKOZIBY-UHFFFAOYSA-N 429.289 4.567 30 10 IJEE C=C(C)CN(Cc1ccccc1)c1nc(CN(C)C)nc2sc(C(=O)OCC)c(C)c12 1651817788 SVIRLQDBSJLLTR-UHFFFAOYSA-N 438.597 4.821 30 10 IJEE C[C@H](Sc1nc(O)c2ccc(Cl)cc2n1)C(=O)Nc1sc2c(c1C#N)CCC2 1651818277 HKNVZUAQUDUNAA-VIFPVBQESA-N 430.942 4.530 30 10 IJEE Cc1nc2[nH]c(SCc3ccc(C#N)cc3Br)nc2cc1Br 1651850336 DZTLASNYAKMIRD-UHFFFAOYSA-N 438.148 4.955 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@@H](c3ccccc3)[C@@H]2C)cc1 1652655394 DABKCPPKRARFCJ-GBXCKJPGSA-N 442.563 4.791 30 10 IJEE CC(C)[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2c(c1)OCCO2 1653127156 AOXVWRYBWZSVJQ-QHCPKHFHSA-N 439.581 4.585 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 1653127551 UWSRAROCQLAJIX-XJUOHMSHSA-N 434.536 4.674 30 10 IJEE C#C[C@H](N[C@H](C)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1F 1658081237 HITRZUFNNQXLGC-ZHRRBRCNSA-N 426.919 4.988 30 10 IJEE C=CCOc1ccc(CNCc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1 1662432939 NRDIFOHRCGPRAZ-HXUWFJFHSA-N 426.557 4.692 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCC2(Cc3ccc(Br)cc3)CC2)cc1 1663166970 BTGROEJMRKBTAQ-UHFFFAOYSA-N 434.399 4.869 30 10 IJEE C#CCN1CCC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1 1663263924 NZAGXUKLNVOIHL-VWLOTQADSA-N 442.607 4.761 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(OCC(=O)OC)c2ncccc12)c1ccc(F)c(F)c1 1667931129 QIXDDVUGMWOGKA-NRFANRHFSA-N 441.434 4.504 30 10 IJEE N#Cc1ccc(CN2CCN(C(=O)N[C@H](c3cccc(Cl)c3)C3CCCC3)CC2)cc1 1670748077 FBRXODWNLBBPCP-DEOSSOPVSA-N 436.987 4.970 30 10 IJEE C=CC[C@@H](NC(=O)NCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccncc1 1679026571 LQOUSPPCYVDSMB-FCHUYYIVSA-N 438.572 4.524 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCCc3ccc(-c4ccccc4)cc3)CC2)c1 1680306696 AINQNNFUAYZLBT-UHFFFAOYSA-N 438.575 4.732 30 10 IJEE C=CCCCCNC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 1680328936 ZPAJMESOSVQKJV-UHFFFAOYSA-N 428.558 4.507 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)c1ccc(Cl)cc1F 1681469573 FHMZJIPOZHIRHT-QFBILLFUSA-N 449.954 4.775 30 10 IJEE C=CC[C@@H](CC)NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1681883585 QBXYTPDAUARYGL-HMXCVIKNSA-N 433.568 4.820 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Br)cc1 1682356736 MLRGPNMUAFKMHJ-OAQYLSRUSA-N 429.333 4.927 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)NCC3(c4ccc(Br)cc4)CC3)CC2)cc1 1685023112 FAYQLJJCKUPUFY-UHFFFAOYSA-N 438.369 4.942 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@@H](C(C)C)C1 1689914912 JCJWCYCPUVHFCV-GOSISDBHSA-N 433.419 4.699 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@@H](C)C1 1690038463 QGTHFIGYEZYFFW-MJGOQNOKSA-N 439.401 4.915 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C)C(C)(C)C1 1690185457 ZVRVTYHPWWUYGH-SFHVURJKSA-N 444.670 4.818 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cccc(Br)c1 1690250907 MWKGRKQOOLCJRZ-RXVVDRJESA-N 445.405 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1Cl 1690251867 ZYKDSHNIBOMCHH-OFNKIYASSA-N 437.975 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1nc(C)no1 1690258399 DZNJHSIMBJUNAW-MRXNPFEDSA-N 440.617 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(C(F)(F)F)c1 1690258728 RDVUJSZJUQPZQY-UHFFFAOYSA-N 426.446 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](OC)[C@H](C)CC)CC1 1690402840 RPBUQXORHXRWPT-JPYJTQIMSA-N 434.588 4.799 30 10 IJEE C=CCCCCn1c(N2CCSC3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690469737 ZWJYXGLZEUJGAK-QHCPKHFHSA-N 434.650 4.543 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1690502810 HDINKEHUWYMCPB-FQEVSTJZSA-N 432.996 4.975 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCCC[C@H](SC)C2)cc1 1690678810 AYKCGKYKAPPVAA-QFIPXVFZSA-N 435.597 4.675 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(Oc3cccnc3)c(F)c2)C1 1690686186 KNRGLGWRUIKATH-HXUWFJFHSA-N 437.519 4.558 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1690744445 PJOOMMAVKBXFCE-ADKRDUOOSA-N 432.659 4.790 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCOC2CCCCCC2)cc1 1693128381 BEIIODXTQGJMGN-HXUWFJFHSA-N 425.577 4.501 30 10 IJEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(CC(C)C)CC2)cc1C 1693136995 DKGHCOVNGGJFMU-XMMPIXPASA-N 425.552 4.742 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@H]2C[C@H](C)O[C@H](C)C2)c1 1697510506 HEUHEDBWMZQJHF-WKCHPHFGSA-N 439.604 4.923 30 10 IJEE CSC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN(C(C)C)C(C)C 1698393887 CCAROUGJMZFYIR-QFIPXVFZSA-N 440.661 4.657 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1705663508 KPCPRXAEOGWUDD-KRWDZBQOSA-N 431.675 4.902 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1Cc1cccc(COC(C)(C)C)c1 1705673279 VMZGHKQFXDPKIX-BKMJKUGQSA-N 436.600 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1=CCCCC1 1705712993 ONEBTLYLEROIBP-UHFFFAOYSA-N 428.602 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCC[C@H]1C 1705714001 ALYJGHMWGWHJBN-JOCHJYFZSA-N 447.631 4.798 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1705764819 OGANKDXZWMSISV-HXUWFJFHSA-N 446.437 4.840 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCN(C)c2ccccc2F)CC1 1705783639 OEVIQQNPQOPMLC-UHFFFAOYSA-N 439.604 4.998 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705800644 FFTQVPBDBUVBDD-DZGCQCFKSA-N 429.874 4.506 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCn1cccn1 1705801586 KEUMSJRVONTZOL-UHFFFAOYSA-N 447.356 4.536 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC1(O)CCCCCC1 1705863468 UIURSGMXQMJCHM-UHFFFAOYSA-N 431.584 4.542 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCOC[C@H]1C 1705871275 DHWKMYDEKKTJCL-HZPDHXFCSA-N 449.368 4.698 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1705885069 GVEFPNPPXSECML-SIKLNZKXSA-N 445.677 4.650 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)cc1 1705909801 IKSNOOQEYMCHQC-LJQANCHMSA-N 438.494 4.562 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCN2CCC)C1 1705918542 LJYLBTMKIDMGKR-UXHICEINSA-N 444.023 4.644 30 10 IJEE Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccoc2C)n1 1707608389 GFVCCNVEMBRELX-UHFFFAOYSA-N 426.524 4.691 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCCC2)n1Cc1ccnc(C(F)(F)F)c1 1711072616 GKEVRFHFRYZOEG-UHFFFAOYSA-N 440.473 4.906 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@](C)(O)CCC(C)C 1722467195 OBMGNEALCLIGIP-UKDVSSAZSA-N 442.579 4.737 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC(F)(F)F 1722494178 LVXDCNZXCHFBTE-DOTOQJQBSA-N 428.886 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCCSC 1722508599 JSXATAYTNCSIJL-JPYJTQIMSA-N 439.629 4.521 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1722512361 AYSAHROJSQSELI-XMMPIXPASA-N 446.643 4.988 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2nnc(C)s2)CC1 1722564124 IDRMXXONZPMVQJ-HNNXBMFYSA-N 444.992 4.631 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(F)CCC2)CC1 1722565849 DBFYIPKSYNVGCN-UHFFFAOYSA-N 447.599 4.831 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)Cc1ccc(C)o1 1722614104 BJTZGLRSWSUPDJ-UHFFFAOYSA-N 446.555 4.569 30 10 IJEE C=CCCCn1c(C2CC2)nnc1N1CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1722615526 SHPOWVDADCRYQU-KRWDZBQOSA-N 439.551 4.593 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@H](OC)C(F)(F)F 1722632995 BKEBKGGWSFYMSA-BBRMVZONSA-N 432.874 4.661 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(C)s2)cc1 1722706367 SHWGROJIVFBMEC-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@](C)(OC)CC1 1722731616 AMNRJAKRDJJGDC-JPYJTQIMSA-N 448.608 4.872 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1740571200 XMTYFLNDTGNSMW-APWZRJJASA-N 443.389 4.899 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)OC(C)(C)C1 1740584627 OGLDNOGQSMZNDR-IBGZPJMESA-N 434.540 4.534 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nc(C)c(C)s1 1740600222 JCWHAOMHCKYPKT-MRXNPFEDSA-N 444.004 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1nccs1 1740648156 FVBXTRMIKGCHOY-UHFFFAOYSA-N 444.391 4.804 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740648245 HRPIGOOJRNBQMH-NBGIEHNGSA-N 438.019 4.572 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@H]1CC 1740661646 GZFCPJORIPIDHW-DHIUTWEWSA-N 437.632 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)NC1CCCCC1 1740770613 YUFKKNQKYRITME-UHFFFAOYSA-N 446.599 4.735 30 10 IJEE C=C1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1740821430 IUNFWHLCYFVIOJ-GOSISDBHSA-N 448.571 4.563 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1740848667 OCXRZLADMAYDIA-JXFKEZNVSA-N 448.970 4.755 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)C1CCCCC1)c1ccccc1 1740853368 BSYPIVFSEHWPEG-WWPVKYPJSA-N 435.616 4.994 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740883342 QOIVCCJEPVEQHJ-QHCPKHFHSA-N 432.996 4.833 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[C@@H]21 1740887849 DTGRDVRQYVOVOD-YJBOKZPZSA-N 437.371 4.745 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCSC(F)(F)F 1740914868 MILASAUYNAETDF-UHFFFAOYSA-N 446.502 4.601 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2CCS[C@H](CC)C2)cc1 1740967772 PYZLXLHRZRYNBY-JOCHJYFZSA-N 426.630 4.956 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCC(C)CC1 1740997787 CAMPIOSOSUORMS-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 1744348619 GFVRRQLTCYISAM-GUDVDZBRSA-N 433.478 4.530 30 10 IJEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1749028006 WWECULTUCZIQMW-UHFFFAOYSA-N 428.508 4.660 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCO[C@H](C)C1 1749059037 UCSMQFIOZHURPH-QEEYODRMSA-N 449.418 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(Nc2cnn(C)c2)nnc1-c1cc(OC)ccc1Br 1749376770 DQDYCFDSQGLVFD-UHFFFAOYSA-N 445.365 4.796 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749391975 WPJHGPLOXUSREC-SBHAEUEKSA-N 428.552 4.919 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCCN1CCC 1749466904 BXBSIVJOAKGWNZ-FQEVSTJZSA-N 436.629 4.874 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C1CC1 1749511345 VHSGXFSJTUOXAV-QZTJIDSGSA-N 444.023 4.641 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1Cc1ccsc1 1749544864 PYRHSXMUGYBHRV-UHFFFAOYSA-N 436.560 4.581 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1CCc1ccc(Br)s1 1749572130 YKVOKFDFQQYPCK-UHFFFAOYSA-N 430.375 4.585 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1749640260 IJCUSCNRLKJUOG-HXUWFJFHSA-N 437.613 4.605 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C(C)C)C1 1749692924 DBGFIZONNYFBKW-NRFANRHFSA-N 439.604 4.611 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCSC(F)(F)F 1751261721 COTFICHCMYOAPW-QWHCGFSZSA-N 431.459 4.549 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCS2)c1C 1751317318 COWKPRYJPPWYBG-UYAOXDASSA-N 425.602 4.671 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1Cc2cccc(Br)c2C1 1760149103 WZPSKGIHPVPOFO-UHFFFAOYSA-N 442.748 4.690 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 1760149885 SDXHKCCGGNKQCQ-UHFFFAOYSA-N 440.954 4.751 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760158080 JMJWJURQQFAPIJ-DENIHFKCSA-N 436.581 4.607 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)OC1CCCC1 1760301894 NRMSQHQEKRPHAG-UHFFFAOYSA-N 443.292 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1nccs1 1760320311 WXWTYDPMTIOZPT-KUHUBIRLSA-N 447.967 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1760320395 UVRJUBOKKABYAW-BQUSRXHISA-N 438.616 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1c(C)noc1C 1760341054 XTEQPIPNBLVHEQ-KRWDZBQOSA-N 434.544 4.540 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760367816 UQXBIHHHVBKCKF-ZHRRBRCNSA-N 436.959 4.951 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(CC)(CC)OC)CC1 1760404079 RESWZTAIDFTSPT-UHFFFAOYSA-N 439.604 4.755 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](c1cccs1)N(C)C)C1CC1 1760476958 LQGKYWDDSWZCFF-HXUWFJFHSA-N 443.567 4.666 30 10 IJEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCSC1 1760500205 FKGLZDIJFFYNRD-FQEVSTJZSA-N 426.630 4.530 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H]2C[C@@H](OCC)C2(C)C)cc1 1760530026 ONSQVIAIKVKRRB-FGZHOGPDSA-N 435.572 4.526 30 10 IJEE CCCCCCOC(=O)N=C(N)c1ccc(NC[C@@H]2N(C)c3ccccc3N2CC)cc1 1848440287 VGWSMMIPRMNJJW-HSZRJFAPSA-N 437.588 4.823 30 10 IJEE Cc1ccc(Cn2nc(C(=O)Nc3ccccc3C#N)cc2-c2cccc([N+](=O)[O-])c2)cc1 1859412653 HVQBKZQDAWGVEX-UHFFFAOYSA-N 437.459 4.939 30 10 IJEE CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccccc3C#N)n2)cc1 1860568296 PJABIQGJZQNBRZ-NTCAYCPXSA-N 426.476 4.646 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccccc2)cc1 1862389665 KVLMBUJNFUMMSP-QHCPKHFHSA-N 429.520 4.573 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862422956 RMBROTKNSCDEFB-KRWDZBQOSA-N 436.798 4.513 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)ccc1O 1862481156 XZTCQXANFRAFMY-NRFANRHFSA-N 435.501 4.549 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccc(O)c(O)c1 1862548516 UDJGQHDPELMRGC-HSZRJFAPSA-N 435.520 4.601 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCc2ccccc2)[C@@H]1c1cccc(O)c1)c1cccc(O)c1 1862589947 XFHINJLSWXTCJG-XMMPIXPASA-N 443.499 4.699 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1862620091 KHWXCEZXOSEYHV-QFIPXVFZSA-N 435.520 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2cccc(F)c2)cc1F 1862637060 BTKRZRPXDNTAOL-NRFANRHFSA-N 427.447 4.884 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 1862648642 HBEIWTOUXCSSHG-DEOSSOPVSA-N 428.532 4.760 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714983 JDULUKCMKAKYFI-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@H](C)O)c1 1862720100 SJEXYEHHVVZHHU-BXKMTCNYSA-N 445.515 4.588 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1Cl 1862743748 FZHOQVDDDZKRJX-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE Cc1ccc(CCN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863492987 JKIAKXOVLVNATK-UHFFFAOYSA-N 446.510 4.783 30 10 IJEE CC[C@@](C)(NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866770273 CAZFLHOCXNMKRY-BKMJKUGQSA-N 435.568 4.929 30 10 IJEE Cc1ccc(OCCCC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)cc2Cl)cc1 1870106076 VQYFOCNHSMSABP-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE C[C@H]1CCCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2)C1 1870349061 YIBQXTCOCOMZDD-NRFANRHFSA-N 427.548 4.579 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871412572 VVKRDBARBXRRMC-NXUSMQHESA-N 433.460 4.927 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871979948 GOQQEDJNWVNDSL-HSZRJFAPSA-N 438.524 4.691 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872373191 ZLBCEDUTGYXHKM-YJBOKZPZSA-N 434.524 4.677 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1873309386 GHKQYAHZSDTYKD-UHFFFAOYSA-N 449.844 4.882 30 10 IJEE COc1ccc2[nH]cc(/C=N/n3cnnc3SCC(=O)Nc3ccc(C(C)C)cc3)c2c1 1873502091 DVFCZNFNDPUDQW-RPPGKUMJSA-N 448.552 4.504 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCc1ccc(C)cc1)n2CC(C)C 1873577343 MYTYNDLFIDPXAT-UHFFFAOYSA-N 431.584 4.547 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2c(NCCC)ncnc21 1873601005 CDOZISHTNVKARW-UHFFFAOYSA-N 428.334 4.762 30 10 IJEE CC(C)(C)c1ccc(OCCCC(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 1873724060 HBYWYMGOAQTQBT-UHFFFAOYSA-N 433.596 4.796 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc(C(=O)OCC)c3)c(=O)oc2c1 1873951214 SKUCPYUUBRCVFK-UHFFFAOYSA-N 449.503 4.804 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1[N+](=O)[O-] 1874243956 HEXUFNMHAZBWBW-OEAKJJBVSA-N 425.558 4.939 30 10 IJEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1cccc(Cl)c1 1874244849 MREQYRAHJVATPJ-ZVHZXABRSA-N 431.005 4.657 30 10 IJEE CCCSc1nnc(COCc2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874355336 VNTOGRPCCKLLCK-FSJBWODESA-N 446.960 4.747 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2[C@@H]2CCCO2)cc1 1874443667 HXIILUIHSPQEET-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cn(C)c2ccccc12 1874504009 FSRVAXPBBLUBBE-AFUMVMLFSA-N 446.580 4.644 30 10 IJEE COc1c(C)cc(C)cc1C(=O)/C=C/c1cccc(OCC(=O)NCc2ccccc2)c1 1874599684 ZDDLECSEMWXDCR-OUKQBFOZSA-N 429.516 4.903 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875119090 DJGIGHQAUIYIBE-VAWYXSNFSA-N 425.437 4.604 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 1891514301 FZDUSASFOQNHSK-UHFFFAOYSA-N 431.467 4.816 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](NCC)c2c(F)cc(Br)cc2F)C1 1892683901 GHDJWZKYUYEKQM-INIZCTEOSA-N 431.321 4.991 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@@H](O)c1ccc(Cl)c(Br)c1F 1922086018 NDUGMNYEBRCEOD-MOPGFXCFSA-N 428.729 4.636 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1930841192 TZBJGIGHQCZDTG-HOJAQTOUSA-N 429.561 4.961 30 10 IJEE CN(C)CCN(C(=O)OC(C)(C)C)[C@](C)(C#N)c1ccc(NC(=O)OC(C)(C)C)cc1 1940974627 WKKVZXJQVGVCRZ-HSZRJFAPSA-N 432.565 4.571 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2)C1 1944417243 BWXSUQBDQZBFKE-RGZWJVDOSA-N 427.545 4.967 30 10 IJEE CC(C)(C(=O)O)C(F)(F)[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 1952996565 OIKKDAPYWOZBQU-GOSISDBHSA-N 435.492 4.570 30 10 IJEE N#Cc1cccc(CNc2cc(Br)c(Br)c(Br)c2)n1 1963543647 ZMGDKBZIAWXUBJ-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CCOc1ccc([C@H](CC)n2nc(C3CC3)c(C=NO)c2I)cc1 2080101151 BYBCCOGEMBVXDN-INIZCTEOSA-N 439.297 4.571 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)C3CC4(CC(OCc5ccccc5)C4)C3)CC2)OC1(C)C 2104029563 WTMYWWYRNQZIKE-UHFFFAOYSA-N 437.389 4.552 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(c2ccc(C#N)c(Br)c2F)C1 2118202366 XZDMJQQFEQKAAK-ZDUSSCGKSA-N 426.330 4.591 30 10 IJEE C#CCCN(c1ncc(I)cc1Br)C1CCCCC1 2133376668 ZUQPNVMPUZHAOL-UHFFFAOYSA-N 433.131 4.611 30 10 IJEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1ccc(C#N)c(Br)c1F 2174813267 UERFAZRPONAWDJ-JSGCOSHPSA-N 440.357 4.978 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181053574 NAHJNVLZUGQONW-UONOGXRCSA-N 436.350 4.590 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2nc(C(C)C)[nH]c2Br)C1 2197756183 VSKWLZQHTWVTED-OAHLLOKOSA-N 441.414 4.950 30 10 IJEE C=CCC[C@H](CO)Nc1sc(Br)c(Br)c1Br 2212199314 BEYMBAKGPYJMDX-ZCFIWIBFSA-N 433.991 4.775 30 10 IJEE C=C([C@@H](O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221681705 NMDQDZBPBSTXDA-IAGOWNOFSA-N 428.443 4.679 30 10 IJEE Cc1ccc(C(=O)[C@@H](C#N)c2ccccc2Br)cc1I 2232423171 JSRZXFLWJLGAPX-ZDUSSCGKSA-N 440.078 4.852 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)CN(CC(F)(F)F)C(=O)OC(C)(C)C 2235723703 LKXHKPWYCQYTFP-HNNXBMFYSA-N 449.311 4.578 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](N)(C#Cc2ccccc2Br)CC12CCCC2 2235733221 ZUVOAKZWWKHWGZ-OAQYLSRUSA-N 433.390 4.842 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC([C@H](N)C#Cc2ccccc2Br)CC1 2235747627 RJFBSJXELMAMBQ-NCYVPVAZSA-N 439.369 4.551 30 10 IJEE C=CCCC1([C@H](O)c2c(F)cc(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266231089 BXJOYJHYLAECOD-MRXNPFEDSA-N 432.305 4.964 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(CCC(F)(F)F)Cc1ccccc1 2267241337 LEAJPRVAZWDMFZ-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)CCC2)OC1(C)C 2267455532 AYALFOYCPLQKIV-DKUWSORSSA-N 438.421 4.562 30 10 IJEE CC1(C)OB(c2cc(F)ccc2C(=O)Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2281759389 LKHMSMMTRZXRDW-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](O)(C#Cc3cccc(Br)c3)C[C@H]21 2296227269 NIKSSXOURDFODF-JUXOCIIHSA-N 434.374 4.731 30 10 IJEE CCCC1([C@@H](O)C#Cc2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1 2296273928 RIGBYTKVLYGOPS-IBGZPJMESA-N 436.390 4.979 30 10 IJEE CCC[C@@]1([C@H](C#Cc2ccc(Br)cc2)NC)CCN(C(=O)OC(C)(C)C)C1 2296306681 KOISYGGGZGVILX-SIKLNZKXSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2296307188 QWLLJGGZDLBRBU-GUDVDZBRSA-N 435.406 4.718 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296311619 ZCFNSVPTBPFRQJ-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCOc1cc(C=C2SC(=Nc3cccc4ccccc34)NC2=O)ccc1OCC(=O)O 2296910970 QXHQUMLKDWCWTD-UHFFFAOYSA-N 448.500 4.594 30 10 IJEE C=CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3Cl)C2=O)c2ccccc21 2297359831 MXPWAQQJEGTUKK-UHFFFAOYSA-N 426.950 4.644 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 2314028194 GSQJZSFELNITQS-OALUTQOASA-N 445.560 4.974 30 10 IJEE Cc1csc(N=C2SC(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N2C)n1 2314542425 LDBXQRKSYLYAQQ-UHFFFAOYSA-N 426.479 4.854 30 10 IJEE CCCN1C(=O)C(=Cc2ccc(O[C@@H](CC)C(=O)O)cc2)SC1=Nc1nc(C)cs1 2314930333 BEUUYFMVMLAZLZ-INIZCTEOSA-N 445.566 4.708 30 10 IJEE O=c1c(Cl)c(NN=Cc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)c(Cl)c1 2322617487 WDXKLCQXUFOJOZ-UHFFFAOYSA-N 438.658 4.547 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c1OC 2322867209 OLMHLPRQLBTDKM-UHFFFAOYSA-N 436.485 4.838 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)CCc4ccc(C)cc4)ccc3C2=O)cc1 2323078720 ARAISSVWLIDXCH-UHFFFAOYSA-N 442.467 4.936 30 10 IJEE CCCCCCOc1ccccc1C(=O)C=NNS(=O)(=O)c1c(C)cc(C)cc1C 2323379628 XLLBLKHQPYHMLN-UHFFFAOYSA-N 430.570 4.718 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2cccs2)ccc1OCc1cc(C)ccc1C 2323424311 QMZKNARDWDWLHD-UHFFFAOYSA-N 444.578 4.655 30 10 IJEE O=C1C(=Cc2ccccc2F)Oc2c1ccc(O)c2CN1CCN(c2ccccc2F)CC1 2324124776 KCWBARJYXZOCGY-UHFFFAOYSA-N 448.469 4.609 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1cc(OC)c(O)c(OC)c1 2325565369 KEAMTMNJSDHOAQ-UHFFFAOYSA-N 446.960 4.781 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325571883 LUTFBVBZBYLNRK-UHFFFAOYSA-N 431.905 4.672 30 10 IJEE CCOc1ccc(CCc2nnc(SCC)n2N=Cc2ccccc2F)cc1OC 2325889042 CGYXRWMWXFILKM-UHFFFAOYSA-N 428.533 4.604 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccccc1O 2325940903 RCDMAJZSORYSGM-UHFFFAOYSA-N 443.370 4.887 30 10 IJEE CC(C)c1ccc(C=Nn2c(CCCOc3ccccc3)nnc2SCCCO)cc1 2328759944 BLUJSVGUTFPEOD-UHFFFAOYSA-N 438.597 4.770 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)c1 2330996125 NDCVXARUHULTOY-LJQANCHMSA-N 428.945 4.972 30 10 IJEE CN(CC(C)(C)N(C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339574182 DQSVZEISBTXFJX-UHFFFAOYSA-N 445.413 4.808 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](N)c2cc(C)cc(Br)c2OC)C1 2339674812 NRECUESPXGNCMC-QGZVFWFLSA-N 425.367 4.627 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1C(C)C 2360196915 AOQVEXWOJCQKAW-DXIQSLLYSA-N 435.406 4.718 30 10 IJEE Cc1cc(C)nc(N/C(=N/C(=S)Nc2cccc(C)c2C)NCc2ccc(F)cc2)n1 14156890 ITZSGKGHIJPHIW-UHFFFAOYSA-N 436.560 4.804 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3)n2)cc1 21077823 KIINTFVIFXMTMQ-FSJBWODESA-N 442.976 4.932 30 10 IJEE O=c1sc2ccccc2n1CC(Cn1c(=O)sc2ccccc21)=NCc1ccccc1 48523411 KYGMFNHZGGIHHM-UHFFFAOYSA-N 445.569 4.781 30 10 IJEE N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2 100057062 OLWRVVHPJFLNPW-RZJSWYKGSA-N 438.575 4.843 30 10 IJEE in-vitro CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2OC)S/C1=N\c1ccc(C)c(Cl)c1 100194281 ZDUIMYOZGXIUDM-NKWDDMGQSA-N 431.945 4.637 30 10 IJEE CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1cccc(C(=O)O)c1 100938581 YZOHNMWBQZJPHS-POJNRUHKSA-N 449.444 4.787 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 103227418 KFIAOMMIUNWASG-QQYUXEJHSA-N 442.515 4.801 30 10 IJEE COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1ccccc1C 169879253 UPRUKUVCKUBUKT-YDZHTSKRSA-N 436.424 4.845 30 10 IJEE CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)NC(=S)N1 169937810 CKZUUTKAXVAORI-JOCHJYFZSA-N 428.513 4.582 30 10 IJEE COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)ccc1OCc1ccccc1 169938244 BTJXFBUXNAUBDD-XMMPIXPASA-N 444.556 4.950 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 170058849 YDVOVWRBOPOFGD-JOCHJYFZSA-N 448.906 4.912 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12 170076871 LEVHRNHOTPBHLE-XMMPIXPASA-N 426.472 4.858 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)cc1 170097203 QHBWFFXBEBZWQI-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2c2ccc3c(c2)OCO3)o1 170100706 PESYBVRWUWIDEM-NRFANRHFSA-N 435.407 4.547 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)o2)cc1 170102018 JFUFYARFBHSZOL-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCO3)=C(O)C(=O)N1Cc1ccc(F)cc1 170108169 LLEBGGRJKJXUBJ-OAQYLSRUSA-N 449.503 4.909 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140591 GESFBWWOQGVEDF-NRFANRHFSA-N 432.407 4.825 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)cc1C 170189449 QVMDECQDPXTXLX-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2cccnc2)cc1 170190414 XBPCYFKHBGZTHQ-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2cccnc2)cc1C 170191329 NXSVBCHAGXFIKQ-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccncc1 170204276 FYKXWPKJQAWTDS-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2OC)[C@@H]1c1c[nH]c2ccccc12 170256010 VFYRZJIULHZRTP-QHCPKHFHSA-N 448.519 4.954 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(CC)cc2)cc1C 170264944 YTAGMPCBVFOQDV-HSZRJFAPSA-N 437.536 4.571 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2c[nH]c3ccccc23)cc1 170384150 QUENSSMFZNDYCB-QHCPKHFHSA-N 439.471 4.745 30 10 IJEE CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC)cc2)cc1 170410248 AVLQSXAUOVUHTM-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1ccc(OC)c(OCc2ccccc2)c1 170439032 WCIQLZRZBGLPCM-QFIPXVFZSA-N 437.536 4.995 30 10 IJEE C=CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(OCC)cc3)C2=O)cc1OC 211024768 WCKUSNZLPQZMGV-KGENOOAVSA-N 440.521 4.765 30 10 IJEE C=CCn1c(-c2ccccc2)csc1=Nc1ccc(C(=O)NCCN(CC)CC)cc1 254504911 IZVWXARRNRAFJX-UHFFFAOYSA-N 434.609 4.707 30 10 IJEE CC(C)[C@H]1CN([C@H]2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CCN1C(=O)OC(C)(C)C 396448001 GFFQIMPARFBTNV-VQTJNVASSA-N 434.430 4.674 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H]1Cc1cccc(F)c1 460375551 PUWHNOQMQLUGJF-LJQANCHMSA-N 444.514 4.521 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 504265791 QENKVUOMBKGODY-UHFFFAOYSA-N 426.563 4.598 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](c2cccs2)C1 508491382 SUOTZCXKJVEYKF-XLIONFOSSA-N 440.569 4.642 30 10 IJEE CSc1nc(O)c(C(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)cc1C#N 512847355 VHROKOKPZVCJPY-UHFFFAOYSA-N 436.537 4.521 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1cc(Cl)c(OC)c(OC)c1 526823123 RJTOSCXMHMNUQK-MSXFZWOLSA-N 441.944 4.557 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1cccs1 549954773 FQOMUNYUHCMIAM-GFCCVEGCSA-N 434.338 4.552 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)C2)c(F)c1 553122943 HKFDIPHHNXALKC-CYBMUJFWSA-N 441.812 4.757 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 553898611 AKRBOOZJDZVCJG-JOCHJYFZSA-N 439.943 4.562 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 564759466 YUSAFWTUTDLPNM-DSITVLBTSA-N 444.579 4.895 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1 607399418 UPKMGNIKYPJUOC-UHFFFAOYSA-N 444.417 4.843 30 10 IJEE C=C(COCCC)[C@H](NCC)c1ccc(I)c(Br)c1 721552842 SUFKAGSMEQGYGY-HNNXBMFYSA-N 438.147 4.687 30 10 IJEE C=CCC1([C@H](O)Cc2cc(Cl)ccc2Br)CN(C(=O)OC(C)(C)C)C1 722927450 GUZXSSBYXSSTPD-MRXNPFEDSA-N 430.770 4.819 30 10 IJEE C=C(CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1)C(=O)OCC 733870451 HNZWWMOAQFCKQW-UHFFFAOYSA-N 431.558 4.679 30 10 IJEE C[C@H](OC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)C(=O)N(CCC#N)c1ccccc1 741373984 XOUSIPKHZNUROQ-SNRMKQJTSA-N 446.425 4.567 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC(C)C)cc1 742213785 OGOABNYUNVYNNL-QFIPXVFZSA-N 449.576 4.848 30 10 IJEE C=CCn1c(SCC(=O)Oc2c(C)cccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 760022329 JJHLVNRSXZAXLW-UHFFFAOYSA-N 444.900 4.699 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H](C)c2c(F)cc(OC)cc2F)nnc1-c1ccco1 767499533 JZQDUZZVBRDHNJ-CYBMUJFWSA-N 449.479 4.798 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1=S 783976343 UJFYLUYIVWPFMD-HNNXBMFYSA-N 444.008 4.670 30 10 IJEE COc1cc(C)c(C(=O)[C@@H](C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1OC 787048532 BNRNUQAQWDQVRQ-MLGOLLRUSA-N 435.307 4.519 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1OC 798108937 KXIWTQOPDVYITD-XPWALMASSA-N 429.520 4.885 30 10 IJEE O=C(CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1)c1ccccc1 1084230579 PUXWEBJHBYWKHV-UHFFFAOYSA-N 443.532 4.805 30 10 IJEE C[C@H](Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1)C(=O)N(C)C 1084529173 DAABTVSVYIAVPR-AWEZNQCLSA-N 442.548 4.717 30 10 IJEE C[C@@H]1Cn2nc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)cc2CN1C(=O)OC(C)(C)C 1127616583 DRSBDKJMQBVTNF-CYBMUJFWSA-N 443.573 4.505 30 10 IJEE C=CCCC[C@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)c1ccccc1 1127930753 VTSYCUJRIXMSLW-KRWDZBQOSA-N 438.519 4.736 30 10 IJEE C#C[C@@H](NC(=O)[C@](C)(CC)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1141643888 APIKRPHREFHWCU-KCWPFWIISA-N 432.564 4.858 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(Cl)n1)c1ccc2c(c1)OCCO2 1144704636 RZAZMWBFWMOHBQ-UHFFFAOYSA-N 436.895 4.918 30 10 IJEE C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc(-c2ccccc2)cs1 1186665675 AGAGCNFYZFHXNS-LBPRGKRZSA-N 437.468 4.740 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1C 1196656399 AXFLXZDPOOXBBF-NRFANRHFSA-N 434.367 4.570 30 10 IJEE C#CCN(CCC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H]1CCCc2ccccc21 1198103415 HFKWEDCELIIULJ-NRFANRHFSA-N 426.944 4.699 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cc1 1199059032 MRPDPKWBLRVSNT-UHFFFAOYSA-N 437.450 4.813 30 10 IJEE COc1ncc(NC(=O)N[C@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc1C#N 1209050617 FHZHWIGXDKMLMS-HXUWFJFHSA-N 440.475 4.873 30 10 IJEE C#CC1(NC(=O)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)CCCC1 1210987869 GEVDWFGTKLRLIO-UHFFFAOYSA-N 433.552 4.538 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C(C)C 1211223084 QAYDKDPIKSJGGL-SFTDATJTSA-N 440.415 4.775 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)c1 1217229183 ZFEBBRPFBNXUCO-UHFFFAOYSA-N 439.302 4.797 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1 1273111630 UZFVHPTUWBCNSP-UHFFFAOYSA-N 444.560 4.991 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1OCC[C@H]1C 1286451381 IWAGCGSGSBOQCC-XFQXTVEOSA-N 430.980 4.573 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCSC1(C)C 1286451405 JERSCDMRILAEHX-RTBURBONSA-N 442.629 4.808 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@@H](C)S[C@H](C)C1 1286498671 KHKPZUUBNDDNIM-IAGOWNOFSA-N 446.711 4.972 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC1(COC)CCC1 1286518538 WUYDJRKRHIEBDE-OAQYLSRUSA-N 443.389 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1286559950 ZWDJCBAOVYBPHT-JLMWRMLUSA-N 445.007 4.507 30 10 IJEE C=CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCCCC2)C1 1286691386 GTJGUPNHJQKHTR-UHFFFAOYSA-N 440.588 4.762 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2ccccc2F)C1 1286766761 XJMOTTNWWIKECW-IYARVYRRSA-N 441.938 4.890 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1286782635 AMWNXBWONQQXHE-KXBFYZLASA-N 448.398 4.713 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCSC2)C1 1286813427 UVTTYDDRPSXBJU-UXHICEINSA-N 444.670 4.803 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)OCC 1287775959 GGGPLCASTHDXBL-LJQANCHMSA-N 427.884 4.816 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CCN(C)C(C)C 1289274988 FNPUUHPJTDZOSA-QFBILLFUSA-N 447.027 4.624 30 10 IJEE C#C[C@](C)(CC)NC(=O)[C@H](CCC)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1298085747 IZFBKCXWAMXAOE-RPLLCQBOSA-N 432.564 4.954 30 10 IJEE C=C(CNC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)c1ccccc1 1298914276 SFMXDNYSDAXSKV-UHFFFAOYSA-N 441.597 4.776 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(O)(CCC)CCC 1300284898 VMIJVOOQUDSLCT-QZTJIDSGSA-N 428.646 4.921 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN(C(C)C)C(C)C 1300492503 FFVAHALAADGHGC-RUZDIDTESA-N 438.620 4.593 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(C)(C)CC=C)CC1 1300710189 VXXYRZGELFXVCF-UHFFFAOYSA-N 444.048 4.581 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCOC(C)(C)[C@@H]1C 1300831968 CHSFNVJOWIMBCI-AWEZNQCLSA-N 431.334 4.604 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCOC(C)C 1300912905 NZIGUEZCGAFCFG-HXUWFJFHSA-N 449.640 4.610 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSCC(C)C)CC1 1301095866 QEWOMFWSKQWMAU-UHFFFAOYSA-N 425.602 4.664 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCSC2(C)C)CC1 1301134034 CXMRBIAPNDTNDT-LJQANCHMSA-N 442.629 4.800 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCC(N2CCCCC2)CC1)c1ccccc1 1301168001 JKLOACPTPZMUGZ-QHCPKHFHSA-N 437.632 4.629 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCC2)n1C[C@](C)(O)c1cc(C)oc1C 1301399429 MUBVZSUIXGDAJG-SANMLTNESA-N 434.584 4.898 30 10 IJEE C#C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 1306849589 WYCIQLHMCNWXOJ-PMACEKPBSA-N 435.326 4.768 30 10 IJEE C=CCn1c(SC[C@@H]2CCCN(C(=O)C(C)(C)C)C2)nc2sc3c(c2c1=O)CCC3 1307259297 TUEXOSHGHWSPNR-OAHLLOKOSA-N 445.654 4.510 30 10 IJEE C=CCN(Cc1ccc(OCC(F)(F)F)nn1)Cc1cc(Br)ccc1F 1307450375 UUTZDVKMBIKKDO-UHFFFAOYSA-N 434.231 4.508 30 10 IJEE C=CC[C@H](CO)NCc1c(C)nn(-c2ccccc2)c1Oc1ccc(Br)cc1 1308389134 XQKWEDOLYPMLOQ-GOSISDBHSA-N 442.357 4.762 30 10 IJEE C#C[C@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccc(Br)cc1 1308786038 VLEGRWVTJLZZRS-KRWDZBQOSA-N 436.140 4.801 30 10 IJEE C[C@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 1308999837 FUXLYDYBZAAODJ-VIFPVBQESA-N 431.329 4.783 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F)c1ccccc1 1312936092 FXOVOHJQYCRGSW-RTWAWAEBSA-N 440.469 4.809 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C)c1ccc(Br)cc1 1312938152 XKTWSWXKJSRIJP-OALUTQOASA-N 449.389 4.809 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cn2c(n1)C[C@@H](OC)CC2)c1ccc(C)c(C)c1 1352113134 DKBLUFWZSQDXAQ-QHCPKHFHSA-N 445.563 4.873 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c(C(=O)OCC)c1C 1352311617 KIDIXVOCGWZAQT-ZIAGYGMSSA-N 449.475 4.596 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C2(CCCCC2)C1 1353453882 HGGZLELBWZJHTI-UHFFFAOYSA-N 425.573 4.884 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)CN1CCCCC1 1359001665 ZRGCVRXDOCWZLU-VQTJNVASSA-N 444.023 4.653 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1CCC 1359070429 MHSMDIFNTXSGAM-KYCQWFEFSA-N 441.620 4.746 30 10 IJEE C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1359118148 QNPFHNCQLLJSPL-OALUTQOASA-N 432.515 4.907 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OC(C)(C)C)CC1 1359129803 NRCNODJZJKJSOJ-UHFFFAOYSA-N 449.599 4.870 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1359254011 BCABPGQEHHIJCP-NHCUHLMSSA-N 448.615 4.595 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)c1cc(C)oc1C 1359268864 GAJJONVCBYFAKY-AREMUKBSSA-N 443.551 4.789 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCSCc2ccc(C)cc2)C1 1359319773 FXCFCXGDMFIEMR-FGZHOGPDSA-N 442.629 4.543 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1359340054 ZIQLFEDCEOAVEY-ICSRJNTNSA-N 442.629 4.898 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1359344701 GMBJXJLQJUAAKC-DEOSSOPVSA-N 426.630 4.682 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C 1360321783 RLNHAAPMDQZFFJ-UZKOGDIHSA-N 428.573 4.683 30 10 IJEE Cc1c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cnn1-c1ccc(F)cc1F 1360877351 DMCWHUYMOCHUIX-UHFFFAOYSA-N 434.471 4.989 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)c1 1361103409 ABSRINLWJUUMBN-SZPZYZBQSA-N 444.556 4.968 30 10 IJEE CCCOc1c(Br)cc(C(=O)N2CCCc3cc(C#N)ccc32)cc1OC 1436399359 HJIVNUVDAGDLKE-UHFFFAOYSA-N 429.314 4.711 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nc3c(OC)ccc(Br)c3s2)cc1 1437611608 DFKUULPZCGBZEE-UHFFFAOYSA-N 433.327 4.813 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2[C@H]3CC[C@H]2CC(CC(F)F)C3)nnc1-c1ccco1 1439795689 MGVNAFAUEBHEKA-HOTGVXAUSA-N 436.528 4.631 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(Br)cc(Br)c1O 1451995010 GRYIGLNFESMFEJ-SNVBAGLBSA-N 438.119 4.622 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 1454272157 YQJKGWBXDYNSPN-RTWAWAEBSA-N 443.588 4.578 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1456034223 HLMXTWNUQHAWOZ-AVRDEDQJSA-N 426.919 4.812 30 10 IJEE COc1ccc(-c2nccnc2NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 1459475282 CYEVIDKNWWTPKX-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1Cl 1466253607 GVAVWYBUAINOSU-UHFFFAOYSA-N 448.733 4.814 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 1468216117 OFPVHNUGIKJELY-TZIWHRDSSA-N 442.401 4.762 30 10 IJEE C=CCC1(NC(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C(F)(F)F)CCCCC1 1476443377 PEMJKPXRJPVYBY-SFHVURJKSA-N 430.467 4.894 30 10 IJEE CC(C)CCOc1ccccc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1478219483 AITDQIWSGAZRKU-UHFFFAOYSA-N 436.556 4.568 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCCN1C1CCCCC1 1507525156 FGZNLYSRQVFOSE-ICSRJNTNSA-N 426.008 4.854 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN2CCCC[C@H]2C1 1507556279 HAKZVMWTWNWZSQ-FPOVZHCZSA-N 442.007 4.550 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1507566107 BYLLZLRZCBJXKH-HXUWFJFHSA-N 445.405 4.621 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C1CCCCC1 1507701939 PVLNJRHLNXOZEM-AREMUKBSSA-N 440.607 4.977 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCc2sccc2C1 1507757840 ZFXBMSIOOCUKIT-UHFFFAOYSA-N 440.663 4.869 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)CC(C)(C)C1 1507849532 ZDOJBBRMYBQKAA-HXUWFJFHSA-N 426.605 4.885 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507855894 BIUHULXLZBSQEO-AOOOYVTPSA-N 434.716 4.516 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OC(F)(F)F)CC1 1507899469 IMMGQAHNWNQNTK-UHFFFAOYSA-N 431.462 4.633 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507912768 UOSRRUIOGAGQRH-WOJBJXKFSA-N 447.631 4.856 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2sccc2C1 1507958799 YXOAZGBBGGKVDC-KRWDZBQOSA-N 442.560 4.774 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1([S@](C)=O)CCC1 1507970058 CSGRRDWZLOJMPT-NDEPHWFRSA-N 435.018 4.737 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@H](F)c1ccc(Br)cc1 1508019365 DKCCZAFAVNSHND-ZWKOTPCHSA-N 435.341 4.781 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=C)Cl 1508035666 CXJAXVUGNNJQSD-UHFFFAOYSA-N 425.964 4.744 30 10 IJEE C=CCn1c(Cc2cccnc2)nnc1N(Cc1cccs1)Cc1ccccc1OC 1508062419 IHAHYGZZBMJPNU-UHFFFAOYSA-N 431.565 4.727 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2csc(C)c2)C1 1508115850 LXFBHOSQRZDDDZ-SFHVURJKSA-N 444.988 4.807 30 10 IJEE C=CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS[C@H](C)[C@H]1C 1508150956 SREYTWYTXJTSEG-HUUCEWRRSA-N 440.585 4.796 30 10 IJEE C#Cc1ccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 1522547676 RYOJNODXOCQFRL-UHFFFAOYSA-N 437.343 4.821 30 10 IJEE C#CCSc1ccc(COC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)cc1 1523211042 UKJUTMLVFZIDFJ-UHFFFAOYSA-N 425.531 4.910 30 10 IJEE N#Cc1sc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)nc1Cl 1525765549 GZOSGLULQJNUAC-UHFFFAOYSA-N 429.672 4.794 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1531552252 BJNZQLXESCCBBB-OXJNMPFZSA-N 428.326 4.510 30 10 IJEE C=C[C@@H](CC(=O)Nc1nn(-c2ncccc2Cl)cc1Br)c1ccccc1 1534643583 DPTCPFXBSUWDIW-ZDUSSCGKSA-N 431.721 4.982 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C)=C(Br)C1 1539134001 OPSPQJQVFRTQMT-UHFFFAOYSA-N 449.780 4.803 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 1539742839 LLOHLVLRKWWAJT-XMMPIXPASA-N 447.583 4.981 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCOc1ccccc1Cl 1539786106 IVOKTGNXVKGXMU-UHFFFAOYSA-N 438.746 4.915 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)C#N 1539916755 NCIUUJSWFVCYRQ-GOSISDBHSA-N 444.624 4.591 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)OC)C1)c1ccccc1 1539940551 RZSYLDYSXVLMDE-LEWJYISDSA-N 434.540 4.596 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC 1539948031 SFEYKOPQYXXFQA-PXNSSMCTSA-N 429.996 4.843 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(C)oc2ccccc12 1540154966 HYWJIGFGWSSCKS-VWLOTQADSA-N 436.556 4.600 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H](C)CC)n1Cc1cccc(Br)n1 1540182780 YUGULSYPLMFENM-MRXNPFEDSA-N 444.377 4.826 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(CC)(CC)OC)C1 1540886716 IHGLTUIRXSNEAO-KRWDZBQOSA-N 436.959 4.724 30 10 IJEE C=CC1(CC(=O)Nc2cccc(CCN3CCC(C)CC3)c2)CN(C(=O)OC(C)(C)C)C1 1545838287 JAODGVLEQQRSCZ-UHFFFAOYSA-N 441.616 4.713 30 10 IJEE CC(C)(O)[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1562320073 BFRDFVHAQZNMJH-GOSISDBHSA-N 427.932 4.805 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)cc1 1562371244 XPJOTQGAHKNPTR-IBGZPJMESA-N 441.572 4.638 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)C1 1563429087 HCHVHGKLAQCDGG-AVRDEDQJSA-N 442.028 4.946 30 10 IJEE Cc1cc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1Oc1ccc(F)cc1 1563803900 GBLCNWSDCJFPNG-JOCHJYFZSA-N 446.482 4.556 30 10 IJEE C[C@@H](NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)c1ccc(-c2cccc(C#N)c2)cc1 1584715933 CKUWANUHRSLLAV-IQMFZBJNSA-N 431.442 4.874 30 10 IJEE C=CCN(C(=O)c1cc(Cl)c(Cl)cc1OC)[C@@H](Cc1ccccc1)C(=O)OCC 1585015197 HDQHTJOYFYSDLQ-IBGZPJMESA-N 436.335 4.805 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1587758854 IGQYPALVHCJYSG-KMDXXIMOSA-N 436.600 4.927 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](CC)N1CCCC1 1588198370 QMFOZVPYBQIQSR-IBGZPJMESA-N 444.410 4.589 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(CC)CC1CCC1 1589514361 GFYBUOQIRDKHEW-XXBNENTESA-N 440.588 4.570 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1593689905 FGCNZAHYNXUGJW-CEWLAPEOSA-N 443.661 4.718 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](COC)C1 1594454880 IQQMTAAPMIAYEV-PXNSSMCTSA-N 448.995 4.525 30 10 IJEE C=CCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1594709063 HQBMINJCIYIVIQ-FQEVSTJZSA-N 445.489 4.847 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1594788320 KTJBRKFRYYWFQA-WOJBJXKFSA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1595037674 JQIGIBFNPBGJQQ-GAJHUEQPSA-N 429.012 4.659 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@H](C)C1 1595101191 ZPGDURUSNOIZDB-GBXCKJPGSA-N 426.568 4.764 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1Cc1nccs1 1611745784 CLOJDCMFHBVQAY-OAHLLOKOSA-N 442.976 4.706 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(C)(C)C 1617762135 FRVMQSYYCMLNKV-NRFANRHFSA-N 436.556 4.971 30 10 IJEE CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)[C@H](CC#N)c3ccccc3)n2)CC1 1625513725 BOGVXMWWIJKIQZ-GOSISDBHSA-N 440.569 4.894 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1cccc(Cl)c1Cl 1626542991 HMLZMTJCRJYRQH-ZDUSSCGKSA-N 437.751 4.524 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCc3cccc(C(=O)OCc4ccccc4)c3)cc2n1 1627664052 CNAHSUXKPCBZOP-UHFFFAOYSA-N 440.503 4.901 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C)(C)c3ccc(OCC(C)C)cc3)n[nH]2)c1C 1628557491 XDBBPQYLXWVEPS-UHFFFAOYSA-N 435.572 4.776 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 1629760514 QQSIRGOUIAMRQW-NRFANRHFSA-N 437.584 4.977 30 10 IJEE Cc1ccc(-n2c(NC(=O)c3ccc(C#N)c(O)c3)nc3cc(Br)ccc32)cc1 1629916658 HWSLBBKIOWPFAX-UHFFFAOYSA-N 447.292 4.926 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)c3cccnc3Nc3ccccc3F)n2)c(Cl)c1 1631368765 GRWOUIQYPWGEJW-UHFFFAOYSA-N 432.846 4.927 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)Oc1cccc(Br)c1 1632469598 BMACYQNGOHWUSQ-QGZVFWFLSA-N 449.393 4.782 30 10 IJEE C#CCN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCCc2ccccc21 1639322488 OOHYPWIDVFPZTP-SIKLNZKXSA-N 441.358 4.886 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3csc([C@H](C)NC(=O)OC(C)(C)C)n3)cc21 1639693461 CNFSIUNUSQDCRD-ZDUSSCGKSA-N 427.530 4.517 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 1640397347 MYKMJFLGKMACRI-HTAPYJJXSA-N 430.545 4.800 30 10 IJEE C=CCOc1ccc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)cc1OC 1640880894 DDDLSDJVPJJCFP-UHFFFAOYSA-N 438.524 4.806 30 10 IJEE C=CCn1c(SCc2csc(Cc3ccccn3)n2)nc2sc(C)c(C)c2c1=O 1651629507 RVSMMWOTMVCBSM-UHFFFAOYSA-N 440.619 4.995 30 10 IJEE N#Cc1cccc(Br)c1N1CCO[C@H](c2ccc(F)c(Br)c2)C1 1651758265 FKKWPCOIGKFZEW-INIZCTEOSA-N 440.110 4.800 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1sc2cccc(F)c2c1C)c1ccc(Br)cc1 1655459199 PIKCRNBLGGYUFX-OAHLLOKOSA-N 438.343 4.764 30 10 IJEE C#C[C@H](NC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(Br)cc1 1659878570 ZRVAKOZCFZQWMR-NRFANRHFSA-N 427.342 4.514 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 1669757836 MENZBEHKRZXRPA-UHFFFAOYSA-N 441.466 4.789 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1671424790 FQIZHIMUCPGHCR-UKILVPOCSA-N 444.579 4.878 30 10 IJEE C=CCCCCCN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1673996467 KGMMDUBBUVJFLA-FXAWDEMLSA-N 425.976 4.629 30 10 IJEE C#C[C@H](NC(=O)N1CCN([C@@H](CC)c2ccc(Br)cc2)CC1)c1ccccc1 1674025371 CYYPMRMUGMAPMJ-VXKWHMMOSA-N 440.385 4.602 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)NCC3(c4ccc(Br)cc4)CC3)CC2)cc1 1675789267 CWHNNIRCWKYFRG-UHFFFAOYSA-N 436.353 4.851 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(Cl)cc1 1677274115 IGTWBBPMXAYWCT-MGPUTAFESA-N 446.776 4.603 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C)c1ccc(Br)cc1 1680395668 POIXBNZIYXXQJN-FGZHOGPDSA-N 442.401 4.579 30 10 IJEE N#CCCN(Cc1ccccn1)C(=O)Nc1nc2c(Br)cc(F)cc2s1 1681078795 FYXGSHJYWUBYNV-UHFFFAOYSA-N 434.294 4.541 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1Cc1cccs1 1689910618 LPPFVFGXUNCTHZ-OAQYLSRUSA-N 447.608 4.834 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1[C@@H]1C[C@H]1CCC 1690038398 OFTSLFKZDVGALS-YLJYHZDGSA-N 425.374 4.840 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)CC 1690039537 JZOZXNSZSJQQDL-UHFFFAOYSA-N 443.389 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=C)Br 1690202924 KXOISKSJQMKVDN-OAQYLSRUSA-N 438.329 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1690259838 YWROLHPBRIOXRF-OAQYLSRUSA-N 449.599 4.518 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1690285931 QSMSVEKJJHAULO-NHCUHLMSSA-N 430.980 4.699 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)[C@@H](C)CCC)CC1 1690406610 MKVUXYIAYXZYML-KRWDZBQOSA-N 429.996 4.553 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC2(CCOCC2)C1 1690471208 XEJOMISPZPEKOI-UHFFFAOYSA-N 437.588 4.510 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC([C@H]2CCOC2)CC1 1690493367 GKWYARDMTNRGPF-FQEVSTJZSA-N 442.629 4.798 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1690507183 GIHDEWUGEHYTHB-OAQYLSRUSA-N 448.970 4.899 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(C)CCCO2)C1 1690690131 RVKHIJNXCJYXPT-IERDGZPVSA-N 437.371 4.602 30 10 IJEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC2CCCCCC2)[C@@H]1C 1693727168 HOTJRBNSIKAWTJ-WOJBJXKFSA-N 437.588 4.703 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1)SC 1694262750 GGUREEUFVVGIAQ-UTKZUKDTSA-N 439.629 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCN(CC(C)C)C1 1705484485 POULZAGZALTDBD-ROUUACIJSA-N 431.987 4.564 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](COCC)C1 1705526266 CSEVDOCCFRFRHI-IBGZPJMESA-N 426.630 4.942 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1nc(C(C)(C)C)cs1 1705609943 WXKGPFFPXICDRP-UHFFFAOYSA-N 430.581 4.755 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCC2)CC1 1705721259 SEAMBYJKAMNBMK-GOSISDBHSA-N 429.996 4.712 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)S[C@@H](C)C1 1705749765 HLMBXLARURSSFV-QWRGUYRKSA-N 433.828 4.852 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1705756570 HGSVNQCTOQPYRM-OAHLLOKOSA-N 431.993 4.549 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2OCCC2(C)C)CC1 1705784569 AJRQNCKXPXSJRM-HXUWFJFHSA-N 430.980 4.728 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1705803021 CJNVVJNTPXGPTJ-GOSISDBHSA-N 443.567 4.792 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1705807779 ODKIIROZQBICNX-UHFFFAOYSA-N 447.558 4.859 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(NC(C)=O)CC1 1705811857 LVASLRNUAINXFA-UHFFFAOYSA-N 444.004 4.884 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CCc1nc2c(s1)CCCC2 1705875132 INZOCLSKAFMQQN-UHFFFAOYSA-N 437.588 4.764 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CC=CCO1 1705879201 QKSZJEZLTBYCBP-IBGZPJMESA-N 442.922 4.911 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@@H]1CSCCS1 1705880429 FRPNSANSHUYGIX-GOSISDBHSA-N 444.601 4.761 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC[C@H](F)C1 1706462370 DMTCJKSKNOSKJF-IPJJNNNSSA-N 441.551 4.695 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(C#N)cc1 1709887346 AVFZBXWDCIDJQS-VQIMIIECSA-N 439.361 4.905 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CC2CCCC2)cc1 1712880261 CLZJRVFVGRBBPH-UHFFFAOYSA-N 433.478 4.698 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C)=C(Br)C1 1722309575 CBWHCRUQCYPANA-UHFFFAOYSA-N 429.362 4.636 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C 1722338368 GZGMIAOYFOMQLP-IBGZPJMESA-N 445.007 4.669 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCCN1CC 1722346759 AHZSPMXYZDHPKZ-HXUWFJFHSA-N 437.588 4.757 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CC(F)(F)C1 1722374083 UMRVEYUFDYPPCX-QGZVFWFLSA-N 446.929 4.806 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccnc(OC(F)F)c1 1722403818 FWXBCBRDKFTKIN-UHFFFAOYSA-N 439.510 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CCCOC(C)C 1722470128 CIQVRUHRWLNFNS-OAQYLSRUSA-N 431.378 4.515 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1722579686 BVBPWDMCGPMFKW-HXUWFJFHSA-N 443.979 4.523 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccccc2)CC1 1722598280 CAFFARBLOBZUOG-UHFFFAOYSA-N 430.556 4.666 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722606487 ACMTWSNXHPNZCH-GDBMZVCRSA-N 437.357 4.817 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C)O[C@H](CC)C1 1722606488 ACMTWSNXHPNZCH-GOEBONIOSA-N 437.357 4.817 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](n3cc(C)cn3)C2)nnc1C(C)(C)C 1722708465 VAFMHAYGKGNWGL-NRFANRHFSA-N 434.588 4.535 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2[C@@H]2C[C@H]2CCC)C1 1722714033 IDLXAIUAULODCG-SIXWZSSISA-N 449.368 4.989 30 10 IJEE CC(C)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1723094824 FLRGLMBCYOBCEU-UHFFFAOYSA-N 440.611 4.886 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(N2CCCCC2)c1 1723772769 AQBGKHGHVKSSPE-GOSISDBHSA-N 449.990 4.770 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cnc(C)s1 1740572679 SLQAVZABDSXUBE-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1740581049 OCLHJJZGDUPUDP-DZFGPLHGSA-N 428.552 4.610 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1740590447 LTVYVPXKHSPOHF-ICSRJNTNSA-N 427.618 4.897 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC1=CCCCC1 1740668891 DCHLDHQLOHVVFP-UHFFFAOYSA-N 444.583 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740849637 QHWMCPXDBPCXEN-JOCHJYFZSA-N 435.547 4.583 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740851225 RDNUJZFOBUSHGY-YJBOKZPZSA-N 440.485 4.766 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(OC)CCCC1 1740893980 FFGIXCDRYVJSRO-UHFFFAOYSA-N 439.785 4.942 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCC1CCOCC1)C1CC1 1740907821 ZRMIZSCUPRSKMD-UHFFFAOYSA-N 445.405 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC(F)(F)Br 1740923559 OZCJNHGKMMVELB-AWEZNQCLSA-N 447.349 4.762 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CCCS1 1740924739 BLRMRCNZKNBBAR-LJQANCHMSA-N 436.423 4.510 30 10 IJEE CC(C)[C@](C)(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCC#N)CC1CC1 1741301162 BRLIREGOXMSXCA-XMMPIXPASA-N 441.645 4.813 30 10 IJEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2OCC(C)C)n1 1742321739 HAIGJVGXDCGHQR-UHFFFAOYSA-N 444.583 4.862 30 10 IJEE CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC(C)(C)N1CCc2ccccc2C1 1743599652 DUBCRMMGIYLPGG-HXUWFJFHSA-N 434.632 4.759 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1744516126 HZUALOXFWDDOQZ-HXUWFJFHSA-N 445.615 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1(COC)CCC1 1748643518 WLSQPBGQMOEYOB-ROUUACIJSA-N 430.980 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCO[C@@H]1C(C)C 1748652182 XMZPTCZQKOIJEV-LQBOVUBWSA-N 426.630 4.795 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1748907459 KQRDWBHHDWXFSE-PSWAGMNNSA-N 447.671 4.966 30 10 IJEE C=C(Br)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccccc1OC 1749112603 MMVGCNFVAAJATB-UHFFFAOYSA-N 443.349 4.603 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)(C)CC1 1749136980 VNSGBJVIVVCUJM-QPPBQGQZSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)N1CCC[C@@H](C)C1 1749146863 PRWFAFOLNKBZBB-LJQANCHMSA-N 440.592 4.766 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H]1CCSC1 1749216215 KYMWAFFLGHSHNM-GOSISDBHSA-N 432.659 4.810 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](c2ccco2)C1 1749235030 MMJSYKIGAVCPSO-NRFANRHFSA-N 436.556 4.654 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)c1ccccc1 1749382499 NCHXHOSZARJMNN-HXAGEGRHSA-N 448.615 4.637 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1)c1ccccc1 1749382642 NWRFLTZVHWBTHH-REWPJTCUSA-N 435.616 4.504 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749414549 GSCUKJJBBVXWHE-SXLOBPIMSA-N 440.588 4.952 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](Cc1ccccc1)OC 1749473747 QGHMWFLBHWRGSJ-INIZCTEOSA-N 447.402 4.649 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@H]1C(C)C 1749539371 ZSBWONJNHMYPDL-VWNXMTODSA-N 433.600 4.927 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC[C@@H]1CCO[C@H](C)C1 1749544558 JOQOEULZESICOA-NHCUHLMSSA-N 449.574 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1749553038 DSPZKFHTGMTHFH-YADARESESA-N 444.645 4.849 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1749749672 OCORHXRTCHQQEB-VQTJNVASSA-N 442.629 4.516 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1750227970 DFHNKUVBTKAXGW-QHCPKHFHSA-N 427.618 4.746 30 10 IJEE Fc1cccc(Cn2c(CC3CC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 1750373325 ASJNAHQBWIHOJX-UHFFFAOYSA-N 436.375 4.739 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nc(C(C)(C)C)cs1 1760111751 SFXWVHDBQJNAIT-INIZCTEOSA-N 446.580 4.860 30 10 IJEE C#CCCCCn1c(Nc2ccn(C)n2)nnc1[C@H](C)Oc1c(C)cc(Cl)cc1C 1760143530 JHPDLWKTFNIUMZ-KRWDZBQOSA-N 426.952 4.969 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CC1(CCOC)CCCCC1 1760238409 UNNWTRICNYAWSB-UHFFFAOYSA-N 433.600 4.728 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760284118 GDYCPIZHRKRSGC-GHTZIAJQSA-N 426.630 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C)CCC1 1760299180 LJEHGKGFSFWKMR-MHECFPHRSA-N 427.593 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1760327232 DYLOAOMXPHJMBD-GGAORHGYSA-N 436.600 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCO[C@H]1C(=C)C 1760331827 ZSTOETZBZJFVJF-OFNKIYASSA-N 432.572 4.719 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(CCOC)CC2)CC1 1760385288 PCESPTFFWCJNNY-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCS2)CC1 1760385301 PRCLWCRXEGJOAJ-CYBMUJFWSA-N 425.421 4.821 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2c(ccnc2O)C1 1760415994 RAGKBGPWZQRXAB-UHFFFAOYSA-N 447.583 4.740 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)c1ccccc1 1760419747 BJCHCGZCKVHODV-JTHBVZDNSA-N 448.615 4.538 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@@H]1C 1760429499 FFGIAAZDECURCZ-HNNXBMFYSA-N 425.360 4.745 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1760441226 AXXDVQDVMQLXDX-UHFFFAOYSA-N 442.536 4.712 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@@H](OC)C(F)(F)F 1760455947 CUBCNAIXQPIODY-FUHWJXTLSA-N 426.483 4.625 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC(=O)NC(C)(C)C 1760456127 HSKFZZOAJARUEP-KRWDZBQOSA-N 448.011 4.615 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)CN1CCCC1 1760466933 NRTGTOCIRBOTPW-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1Cc1ccc(Cl)cc1 1760501691 ZEMLPNLCEFRMRM-UHFFFAOYSA-N 433.943 4.794 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC2(CCCCC2)O1 1760505201 NZUZNSPVWYSJPF-NRFANRHFSA-N 442.579 4.529 30 10 IJEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1760511577 WDFSCJFUGDSPII-NRFANRHFSA-N 428.024 4.657 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCSC2)cc1 1761086150 GLLXBZBLFOCHMC-RTBURBONSA-N 427.618 4.861 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCC(F)(F)CC2)CC1 1771538215 IDEBUDKGNDDDJR-UHFFFAOYSA-N 447.505 4.952 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861210490 XOMMLGMXHQKJMC-JTHBVZDNSA-N 447.639 4.799 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1Cl 1862417351 QRZXUNFETWOHNV-FQEVSTJZSA-N 448.897 4.538 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(F)cc1F 1862433261 YGXYBLGSPDMGSI-LJQANCHMSA-N 435.854 4.622 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1862435094 OCWBFJVJTBLFEN-NRFANRHFSA-N 441.911 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2cccc(F)c2)cc1 1862688046 RLFYDVIZUHJLLS-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(=O)O)cc1 1862701397 CZDVGJBMCRADQX-OAQYLSRUSA-N 437.492 4.552 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(F)cc2)c1 1862702782 MCAJYQRUVGIURE-NRFANRHFSA-N 437.492 4.717 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030660 KGFSAWNDXCAMIS-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(Cc2cccnc2)C1=O 1863287920 NAMZKYVDNUNPSP-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N(CCC)C1=O 1863751241 SMTPIUUJJHYQFJ-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 1865971186 JXRCZLHHHRPYIA-UHFFFAOYSA-N 447.535 4.683 30 10 IJEE CC[C@](C)(NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866770274 CAZFLHOCXNMKRY-GJZUVCINSA-N 435.568 4.929 30 10 IJEE CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(C(C)(C)C)n2)C[C@@H]1c1ccccc1 1868355211 BGSFGVWHMCOGKF-JOCHJYFZSA-N 426.568 4.882 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C 1868709942 QBHXHIPCJFVVTH-FCHUYYIVSA-N 446.657 4.572 30 10 IJEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(Nc3ccccc3)cc2)c(C)c1 1870142895 MSOORJUSTXWQRN-UHFFFAOYSA-N 438.491 4.517 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(C)C)cn1C[C@H](c1ccccc1)N1CCCC1 1870436979 JRRQJMNBUVZBMV-AREMUKBSSA-N 449.639 4.894 30 10 IJEE CCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871251274 WBTHUFZQZBDRMJ-UHFFFAOYSA-N 427.508 4.587 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(/C=C/C(=O)O)cc4)ccc3C2=O)c1 1871382177 MVSSWAOHSAZLMN-RQXPBMLRSA-N 426.424 4.928 30 10 IJEE Cc1cc(O)c(CN2CCC(N(C)C)CC2)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 1871396192 UCCWAJIQTQYXFV-IWIPYMOSSA-N 434.580 4.966 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1871845652 GHXXZGYUSCJFEZ-JOCHJYFZSA-N 430.570 4.670 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871912807 OZKOWITWRKAJOE-QHCPKHFHSA-N 444.597 4.686 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872441698 SATMUZCUBKNWKQ-SBUREZEXSA-N 428.598 4.842 30 10 IJEE N#C[C@H](C(=O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2cccc(Cl)c2)cs1 1872766305 GNDRLAZZUIGWFX-OAHLLOKOSA-N 434.908 4.509 30 10 IJEE CCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2c(Cl)cccc2Cl)C1=O 1873093163 SSBRECDUDDORII-UHFFFAOYSA-N 440.415 4.585 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1C[C@H](C)C[C@@H](C)C1)n2Cc1ccccc1 1873554852 AJABZVKNPLMCLI-NHCUHLMSSA-N 443.595 4.776 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)N1CC(=O)Nc2ccccc21 1873935216 MBLKFYALROOTMC-NRFANRHFSA-N 444.620 4.826 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccccc1C(=O)O 1874255824 GPEHPVNFTCHFEJ-ZMOGYAJESA-N 438.553 4.865 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874293868 ZUEJVUAKSKJGNB-ZVHZXABRSA-N 435.553 4.742 30 10 IJEE CCCSc1nnc(CCc2cccs2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874372181 MNYIKLSDPSKVNR-HYARGMPZSA-N 446.598 4.535 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2[C@@H]2CCCO2)cc1 1874443382 AMUYCHUYKJOZKB-XAOCGEIJSA-N 449.580 4.866 30 10 IJEE COC(=O)COc1c(/C=C/C(=O)c2ccccc2Cl)cc(Br)cc1OC 1874575102 VRIUITWKFDWQBM-BQYQJAHWSA-N 439.689 4.559 30 10 IJEE COC(=O)COc1c(OC)ccc(/C=C/C(=O)c2cc(C)ccc2C)c1Br 1874596317 SDAJCBDVGQFVIK-VQHVLOKHSA-N 433.298 4.522 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC 1874626205 RFMLDLNBVHUACE-DHZHZOJOSA-N 439.552 4.802 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCC)cc2OCC)cc1Cl 1874631905 ASCXNAPZXXIYEI-YRNVUSSQSA-N 445.943 4.939 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3cccs3)c2)c(OC)c1OC 1874717395 PPAHXPLPHSAVPP-PKNBQFBNSA-N 438.501 4.818 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)cc1F 1875118244 SKKVFZHWMWFJGE-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 1875119165 IAFXSZSUHXTUIH-CMDGGOBGSA-N 448.431 4.512 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cnccn1 1875190336 UKNZKENWLBKHSR-SOFGYWHQSA-N 432.476 4.616 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@@H]2C[C@@H](CN2Cc2ccccc2)C1 1922077313 MOBSTWXDTVNSNW-WXIAYYLYSA-N 434.624 4.543 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 1922097554 AYLYXFRRYOVVDX-UFYCRDLUSA-N 442.522 4.783 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@](C)(C=O)c1sc(Br)cc1Br 1952553757 VMKYVCCRWPPRPR-CYBMUJFWSA-N 427.158 4.554 30 10 IJEE Cc1cc(F)c(Br)cc1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1965478551 ANDRMQFVIQHRSX-ZDUSSCGKSA-N 426.135 4.595 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)cc(Br)c1 1985091088 DVQJCALJMWDDNY-CYBMUJFWSA-N 448.155 4.620 30 10 IJEE C#CC(C)(C)C[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2002376796 ZJZYNRKLCXVEHS-QFIPXVFZSA-N 427.633 4.574 30 10 IJEE CCCN[C@H](CC#CC1CC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2029717715 PFSDFYFOFKQLCY-XMMPIXPASA-N 439.644 4.718 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C#N)c2I)c(C)c1 2079902824 JNNVBCNRFCGYFO-KRWDZBQOSA-N 447.320 4.727 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2079907589 IAZPQIPKGRTRLQ-QGZVFWFLSA-N 449.336 4.973 30 10 IJEE CCc1nn([C@@H](c2ccc(OC)c(C)c2)C(C)(C)C)c(I)c1C#N 2079932180 KRTWCAMGOWJTNA-KRWDZBQOSA-N 437.325 4.874 30 10 IJEE CCCc1ccc([C@H](C(C)C)n2nc(C)c(C=NO)c2I)cc1 2080026529 XMSLNTTXMURBDT-KRWDZBQOSA-N 425.314 4.802 30 10 IJEE N#Cc1c(C(F)F)nn2c(N)cc(-c3ccc(C(F)(F)F)c(Br)c3)nc12 2081200659 WTMJHLNSKZWVQY-UHFFFAOYSA-N 432.150 4.569 30 10 IJEE C=CCN(CC[C@@H](NCC)c1c(Br)cnn1CCC)C(=O)OC(C)(C)C 2099293070 OPNDSRRCVQXCOJ-MRXNPFEDSA-N 429.403 4.519 30 10 IJEE C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2F)CCN(C(=O)OC(C)(C)C)C1 2105992201 RLSNVFXGRQTUQF-OCCSQVGLSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2124540803 LSHZBDFYDOIPSV-UHFFFAOYSA-N 444.381 4.707 30 10 IJEE C=CCN(CC[C@H](NCCC)c1c(Br)cnn1CCC)C(=O)OC(C)(C)C 2155516538 KXAAETATWBHOQG-KRWDZBQOSA-N 443.430 4.910 30 10 IJEE CCCN(c1cc(C)c(B2OC(C)(C)C(C)(C)O2)cn1)C1CCN(Cc2ccccc2)CC1 2172708487 YCERBXRTDUSYAQ-UHFFFAOYSA-N 449.448 4.570 30 10 IJEE CCN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1CCN(Cc2ccccc2)CC1 2219962117 ADZCJCOKQNISLP-UHFFFAOYSA-N 440.462 4.534 30 10 IJEE C=CCN(CC(=O)N(C)Cc1sc(C)c(C)c1Br)C(=O)OC(C)(C)C 2221899262 IJZUULFERBKKHC-UHFFFAOYSA-N 431.396 4.509 30 10 IJEE Cc1cnc(NCc2ccccc2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2232270482 INUISFWJAKWYEH-UHFFFAOYSA-N 430.357 4.880 30 10 IJEE C=C(c1ccccc1)[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237379780 FSYGTYFGWKAGMT-PMACEKPBSA-N 432.358 4.959 30 10 IJEE CC(C)(C)C#CC=CC[C@H](N)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248473972 MWHRHVXNMNEJCW-QFIPXVFZSA-N 426.601 4.763 30 10 IJEE N#Cc1cc(Br)cnc1Oc1cc(I)ccc1Cl 2259914339 MDIPXZAIGXVZQR-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE N[C@H](C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)o1 2264171735 DEJBIINTAAXZTK-LLVKDONJSA-N 433.925 4.619 30 10 IJEE C=CCCC1(C(=O)Nc2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2281014752 OQLIARVLGSSPBU-UHFFFAOYSA-N 445.304 4.869 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3ccccc3OCc3ccccc3)c2F)OC1(C)C 2281763185 RQZGBZDOZQGKIX-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2F)OC1(C)C 2281773421 QKCWZKGDTZCEBT-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2296267179 QEHOSSPGYBDJNX-LJQANCHMSA-N 426.310 4.736 30 10 IJEE CCC[C@]1([C@@H](C#Cc2cccc(Br)c2)NC)CCCN1C(=O)OC(C)(C)C 2296267529 UTCGZEPYMDDEFQ-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CCC[C@@]1([C@H](C#Cc2cccc(Br)c2)NC)CCCN1C(=O)OC(C)(C)C 2296267532 UTCGZEPYMDDEFQ-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@H](O)C#Cc1ccc(Br)cc1 2296277313 QRJJGSLPURBNQJ-VQTJNVASSA-N 428.326 4.528 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2ccc(Br)cc2)CCC12CCC2 2296280654 BZGCWNBBZIHRHG-KRWDZBQOSA-N 432.358 4.940 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 2296303480 WTMFWVYESOVAJK-JKSUJKDBSA-N 449.311 4.624 30 10 IJEE CCCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)cc2)cc1 2296927892 GABOWALXTHBLET-QHCPKHFHSA-N 444.487 4.505 30 10 IJEE O=C(O)C=C1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 2297508647 TWNGAUBIHIDJLI-UHFFFAOYSA-N 425.897 4.595 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccccc3F)ccc2O1 2297745041 STAWKSGLCMVKCJ-UPCLLVRISA-N 443.474 4.771 30 10 IJEE C[C@@H](Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1(NC(=O)OC(C)(C)C)CC1 2317352625 BAYBOSHGESNFRK-WSYSLRRZSA-N 430.354 4.551 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2318950445 YFENATUDMLUBII-RDGATRHJSA-N 447.572 4.799 30 10 IJEE Clc1cccc(CSc2nnc(C3CC3)n2N=Cc2ccc3c(c2)OCCO3)c1 2320886953 FVPUPVOEZBPWNC-UHFFFAOYSA-N 426.929 4.755 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 2321086102 QCJPZIBIAOVLDB-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE O=C(COc1cccc(C=CC(=O)c2ccc(Br)cc2)c1)Nc1nccs1 2323085999 IEZRQABECWQSNJ-UHFFFAOYSA-N 443.322 4.819 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3ccccc3OC)c2)cc1F 2325748132 ZDOZHDSFFLMICG-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(O)c(O)c1 2325912229 LWKALXLMNLUEJD-UHFFFAOYSA-N 439.324 4.569 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1N=Cc1cccc(F)c1 2326475082 ZEMUYRCKOOXECB-UHFFFAOYSA-N 426.517 4.945 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccccc1OC 2326688890 IKONJKHQYVLWHW-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCOc1ccc(Cc2nnc(SCc3ccccc3F)n2N=Cc2cccn2C)cc1 2328567781 XVBGWNHSVWTSSI-UHFFFAOYSA-N 449.555 4.920 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2ccco2)c1 2330454728 ZFBHDYRSGBJDIZ-UHFFFAOYSA-N 445.548 4.692 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330624010 DDICRLDNYZXJIF-QFIPXVFZSA-N 429.561 4.856 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)c1O 2330640150 NGHZKLDANBWMGD-UHFFFAOYSA-N 434.496 4.973 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)c1 2330888944 CQUAJGHAOSIXNH-NRFANRHFSA-N 449.580 4.668 30 10 IJEE Cn1cccc1C=Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCO1 2330996151 SQMKAJKPDIFYQD-QGZVFWFLSA-N 436.368 4.949 30 10 IJEE CCCc1nnc(SCc2ccccc2C)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331633300 FUCKSLAAHLURPI-UHFFFAOYSA-N 440.569 4.739 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C(C)(C)C1 2339578250 DTUOIQNGJJCPMG-UHFFFAOYSA-N 443.397 4.562 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC12CC(Nc1ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn1)C2 2339604727 SYTDIAVAKBQTNM-HVCBZWNTSA-N 441.381 4.584 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@H](O)C#Cc3ccc(Br)cc3)CCC[C@H]21 2360194800 SAAHDPPRGVRYTC-MTQWCTHYSA-N 434.374 4.587 30 10 IJEE CC[C@H](N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363836017 JMUDSRSCQQLIKJ-DSBYRVASSA-N 448.460 4.937 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc2c([nH]c3ccccc32)c1=O 16890312 QGNKQDYMQNNHTP-UHFFFAOYSA-N 440.528 4.948 30 10 IJEE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2oc(C)nc2C#N)cc1 33959121 CQDQKIDGCLRTMM-CVKSISIWSA-N 426.480 4.942 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccccc2OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 34955320 QBANJABARZWULN-LCYFTJDESA-N 448.471 4.836 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 36306452 UJJDFKJPEGAFQS-QHCPKHFHSA-N 447.579 4.716 30 10 IJEE COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O 41285724 JWSUIDXFHLPZSC-UUYOSTAYSA-N 430.412 4.568 30 10 IJEE Cc1cc(O)c(CN2CCN(Cc3ccccc3)CC2)c2c1C(=O)/C(=C/c1cccs1)O2 41584832 MCQOMZQHNPIQKV-HAHDFKILSA-N 446.572 4.696 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1cccc(C)c1 169941739 NMHGDXHFLTVRPK-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE N#Cc1ccc(N2C(=O)C(c3ccc(Cl)cc3)=C(N3CCCc4ccccc43)C2=O)cc1 170072626 BTUMEPDSQDAEJI-UHFFFAOYSA-N 439.902 4.949 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)cc1 170130061 FYUZSLWULPKDOY-DEOSSOPVSA-N 446.547 4.599 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccc(O)cc2)c1 170131933 LXRJLVIKGHWKQO-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccccc1C1=C(Nc2cc(Cl)ccc2C)C(=O)N(c2ccc(C#N)cc2)C1=O 170134135 BLXZBGMXRVKPJM-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)cc1 170138052 OWLZGUDUMZIHNS-XMMPIXPASA-N 445.515 4.939 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)c(C)c1 170228197 UCOOJAKFXBQYQT-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1CCCOC(C)C 170278203 URNTWQSQRVAOFQ-HOYKHHGWSA-N 449.547 4.712 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@@H]1c1c(C)[nH]c2ccccc12 170312366 OJLSQILOOALJBV-QHCPKHFHSA-N 430.504 4.790 30 10 IJEE CC(=O)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(C)c2)cc1 170407376 DIRIFIAJADKMHD-JOCHJYFZSA-N 431.444 4.605 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)ccc1O 170414539 NNDUTDXRSWSAIG-QFIPXVFZSA-N 449.528 4.939 30 10 IJEE Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)/C=C\c3ccco3)cc2)cc1 211424752 YQQKAELBWXVKDG-SEYXRHQNSA-N 445.471 4.629 30 10 IJEE CC(=NNc1nc(Nc2ccc(Cl)cc2)nc(-n2nc(C)cc2C)n1)c1ccccc1 252631832 VMVRJJPSYIKNHS-UHFFFAOYSA-N 432.919 4.907 30 10 IJEE COc1ccc(CCN2C(=O)CSC2=Nc2ccc(Cl)cc2Cl)cc1OC 254287002 FBXSZDHOSIHHRT-UHFFFAOYSA-N 425.337 4.816 30 10 IJEE Cc1ccc(N=C2SCCCN2C(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1Cl 254518939 NIQMJTVTMJBGOE-UHFFFAOYSA-N 441.940 4.569 30 10 IJEE N#Cc1ccc(Nc2ccc(I)c(Br)c2)c(F)c1F 311624473 JLYPREFYGAIGSB-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE N#Cc1cccc(S(=O)(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)c1 443465405 WZPOKDXJDJKQLO-UHFFFAOYSA-N 436.880 4.748 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 443802515 ALMFDVRABFYFBP-UHFFFAOYSA-N 438.487 4.819 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)C[C@H]1CCCOC1 508696200 HGLCSYLQZNOEIJ-HXUWFJFHSA-N 436.531 4.712 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 508997156 IJNJJDIQCAGSPA-MRXNPFEDSA-N 446.386 4.563 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(F)cc(Br)c2)cc1 510696778 FEKWUPGDIZANAU-UHFFFAOYSA-N 446.320 4.724 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)c2cc(F)ccc2F)nc2sc3c(c2c1=O)CCC3 517358099 SZFMQKYZQSEMAF-NSHDSACASA-N 432.517 4.774 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2cccc(C#N)c2)=C(SCc2ccco2)C1=O 526666559 JRVMDPQRGSTNST-UHFFFAOYSA-N 445.500 4.680 30 10 IJEE N#Cc1cccc(OC2CCN(Cc3nc(O)c4c(-c5ccco5)csc4n3)CC2)c1 532965801 MLJCNUVXZFLOFQ-UHFFFAOYSA-N 432.505 4.572 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 558998140 QCJGMIFMHYAXDL-DEOSSOPVSA-N 448.567 4.582 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 562743372 UUUIKDZJFQGKAQ-UHFFFAOYSA-N 431.515 4.979 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N3CCC[C@H](C)C3)C2)c1 585963500 CFQFAZYGJVZJDR-SIKLNZKXSA-N 426.605 4.570 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 586157030 AVXMADWTTPABHE-UHFFFAOYSA-N 444.915 4.750 30 10 IJEE COc1ccccc1CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1Cl 586174149 UDUXHNUTQIFHKV-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE CCOc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 586245453 SKNJGJXIXRCAGH-UHFFFAOYSA-N 436.533 4.670 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1=S 727431725 XLEBDMRPFNPJQZ-PGRDOPGGSA-N 436.581 4.695 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(C2CC2)C(=S)N[C@H]1c1ccc(O[C@H](C)C#N)cc1 731433781 VCMWVVQGTSGYGF-PEBXRYMYSA-N 435.524 4.510 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 734547137 CPCKTTAWKSDIIP-HSZRJFAPSA-N 449.938 4.643 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C 741643081 LYOJWECTAHEZGL-UHFFFAOYSA-N 425.891 4.783 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1(c2cccc(Cl)c2)CCC1 744536069 DBSSDLSTRRUXBU-KRWDZBQOSA-N 440.927 4.649 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4o3)cc2CC1 789350810 LFUVWZFQUJSXLQ-IBGZPJMESA-N 431.492 4.654 30 10 IJEE C#C[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccc(F)cc1 812751577 WURSDWIFEPEIGO-SFHVURJKSA-N 427.273 4.667 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2CCC(=O)N(CC3CCC3)C2)no1 856546384 OKMUVJQGLHAIGA-HNNXBMFYSA-N 435.446 4.826 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CC3CCC3)C2=O)cc1 915117171 WXKFLCIANQZKID-QFIPXVFZSA-N 449.576 4.958 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC=CCC2)c1 1125519275 SADQNYQBEKRRAQ-GOSISDBHSA-N 444.984 4.807 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 1126036606 DJZDAGSXXQXXJQ-HHHXNRCGSA-N 438.575 4.563 30 10 IJEE C=CCc1ccc(OCC(=O)Oc2cnc3c(Br)cccc3c2)c(OC)c1 1128412550 WLDSXBYJPWLHRW-UHFFFAOYSA-N 428.282 4.719 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(Br)c(C)cc1Br 1128965167 GBUQTGPEQDXZAZ-UHFFFAOYSA-N 436.103 4.847 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1ccccc1 1130119067 KUHKWULISZAPHF-MOPGFXCFSA-N 432.442 4.762 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1 1134861904 KJNHMRHWZCLXAV-GDLZYMKVSA-N 428.535 4.681 30 10 IJEE C=CCOc1ccc(C(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)cc1OC 1153569228 JTMKKXKNAPLSNG-UHFFFAOYSA-N 432.561 4.560 30 10 IJEE C=CCN(Cc1cc(O)nc(-c2ccccc2)n1)Cc1cc(Br)ccc1F 1167291255 KFXNAMSOVNCOHK-UHFFFAOYSA-N 428.305 4.939 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)CC[C@H]3CCCCN3C)c2C#N)C1 1167508319 GEZZBUYUKOAYKR-RTBURBONSA-N 444.689 4.906 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(c3nccc4sccc34)CC2)cc1OC 1182195697 GTKLWBRKBQUVOM-UHFFFAOYSA-N 429.973 4.845 30 10 IJEE C=C[C@H](Sc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1)C(=O)OC 1188252031 FSNMSALSRYSQCD-IBGZPJMESA-N 448.569 4.993 30 10 IJEE C=CCN(C(=O)CN[C@@H]1CSC[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1194214299 XKIPBEFVPAGQRN-BLLLJJGKSA-N 442.437 4.977 30 10 IJEE CCC1CCC(N(CCO)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CC1 1205104005 DURXDQBAOQFFBC-UHFFFAOYSA-N 437.588 4.836 30 10 IJEE CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1 1208287977 ADTCKKDIMDPTKU-UHFFFAOYSA-N 437.468 4.521 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)NC2CCC3(CCCCC3)CC2)cc1Br 1211523530 BRXCGJUUUWILLX-UHFFFAOYSA-N 429.355 4.631 30 10 IJEE C=CCC1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 1228269781 GUTNXWTUYDWOCO-JKSUJKDBSA-N 433.515 4.610 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1 1265133152 BYSGMFDXPBONAC-UHFFFAOYSA-N 426.266 4.885 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@]2(CC=C)CCCN2C(=O)OC(C)(C)C)cc1 1269744053 DCTXHUJRTGVEFW-RUZDIDTESA-N 442.556 4.980 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cccc(Cl)c2-c2nnc3nc(C)cc(C)n23)cc1 1273530137 RFVUFVFUGCHAMG-UHFFFAOYSA-N 445.910 4.716 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCSC(CC)(CC)C1 1286318163 LSAQEIMDKDOELY-UHFFFAOYSA-N 426.586 4.589 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286357248 ZQAKUJCUKLGVAN-GGAORHGYSA-N 436.600 4.708 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cc(C)nn1C 1286566415 HQCPTVHKCZVPLM-QGZVFWFLSA-N 428.968 4.564 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1286604746 PAAIWBMIFLRZRZ-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1286653921 AVOIVSVCCTVZRS-QGZVFWFLSA-N 443.592 4.752 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1286671673 WVOBYMMRJWQGJB-HXUWFJFHSA-N 425.533 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1nc(C(C)(C)C)cs1 1286717897 PBYHVPFBHIOVSI-UHFFFAOYSA-N 447.612 4.954 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC)nc1)C1CC1 1286731526 AFNSCAVGLMDXEN-LJQANCHMSA-N 433.556 4.642 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(C)CCCS1 1286767916 KJINZXOIFYAKMM-QHCPKHFHSA-N 439.585 4.525 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1286771490 VCUHIHFGRMWIOZ-UHFFFAOYSA-N 440.588 4.678 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1)C1CCCC1 1287711089 DVGHIXQDYNTRCX-UHFFFAOYSA-N 437.588 4.560 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1295134643 LJQXKEFEDCFIMH-NEWSRXKRSA-N 438.490 4.764 30 10 IJEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)C1 1296917803 FAOYHMPELDYZKP-SNIUIWFXSA-N 437.588 4.559 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1300373158 QEQLNDIIRUXPEI-HSZRJFAPSA-N 446.599 4.569 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1300416158 ALJNDRWHFZBSFM-VWNXMTODSA-N 434.609 4.948 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCCCSC 1300559234 MHGRDHVURKOTBX-UHFFFAOYSA-N 445.430 4.704 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC=C(C)CC1 1300770635 WGSJNERCEFEYDV-UHFFFAOYSA-N 437.396 4.687 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1300843199 DEPGRSRBTPQXSW-QZTJIDSGSA-N 436.442 4.545 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301147367 DXSLBTLMIMENRY-JOCHJYFZSA-N 440.636 4.504 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1ncccc1N(C)C 1301350138 WRNDEYMMUSBSDR-UHFFFAOYSA-N 444.608 4.632 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CCCC2)n1CCN1CCC[C@H]1C 1301354997 NAWHZCVBNWBETP-HXUWFJFHSA-N 425.596 4.827 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCOc1ccc(Cl)cn1 1301403093 UVACVLUXRSKNPE-UHFFFAOYSA-N 429.952 4.531 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](OC)c2ccc(Cl)cc2)C1 1301555494 CFKQPFQZDFXQEH-WOJBJXKFSA-N 432.996 4.689 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1301613584 ZKDDOZDEHVAXPB-NRFANRHFSA-N 431.694 4.803 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1304671028 FRQPXYZDYCYNRO-HNNXBMFYSA-N 425.337 4.585 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccc(C)cc1 1307321462 AYAKDXZZKAPJGT-LJQANCHMSA-N 427.957 4.969 30 10 IJEE C[C@@H]1CCC[C@H](N(CCC(=O)Nc2cccc(C#N)c2)Cc2ccc3c(c2)OCO3)[C@@H]1C 1307441373 DSVZTXNZLIAFBA-PWHSHALESA-N 433.552 4.942 30 10 IJEE C=CCN(CC(=O)N(C)[C@H](C)c1ccccc1OC)Cc1cc(Br)ccc1F 1307448144 NYQAEFSJCVNCPP-MRXNPFEDSA-N 449.364 4.804 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCN(CC2CCCC2)C1 1312139259 QIQXJGNAXOFLOK-IBGZPJMESA-N 438.385 4.550 30 10 IJEE C=CCCCCCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 1312664266 IVBAWKSJADALKO-ACRUOGEOSA-N 437.625 4.617 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccnn2[C@H](C)C2CC2)nnc1-c1ccc(Cl)cc1 1318690938 PKKSGTBEYZQZNT-CQSZACIVSA-N 442.976 4.683 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(F)c(F)c1 1358972440 DZCZNYHGRUMVBS-UHFFFAOYSA-N 436.531 4.675 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1Cc1oc(CCC)nc1C 1359016012 MGWHEIGMDMODRE-UHFFFAOYSA-N 447.514 4.923 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCC1(C)C 1359017552 JMVPBUJEQHFEIR-OAQYLSRUSA-N 431.559 4.869 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCOC(C)(C)[C@H]1C 1359051049 KPUFACYWVKQPNT-DLBZAZTESA-N 444.670 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1359109537 FOEGTJNFLQKHGQ-OAQYLSRUSA-N 425.621 4.724 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCC1 1359189807 VZIHWYPDEGNYRT-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@H](C)c1ncc(C)s1 1359256437 FQRVYNRBXZLFGY-KRWDZBQOSA-N 432.597 4.864 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CCN(C)C(=O)OC(C)(C)C 1359263407 AONKLDGHUCQSBX-UHFFFAOYSA-N 433.622 4.598 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(C)C 1359275058 JHUBLUHDGOTRFK-UPVQGACJSA-N 431.584 4.636 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccccc1 1435195319 LTVMSDZMGSLZRC-DQEYMECFSA-N 433.596 4.931 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)C(F)(F)F)cc1 1436240746 WFBLFDQNTNEHRP-HOIFWPIMSA-N 431.454 4.738 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c1 1441767931 GYFGEVSKPAAFMM-UHFFFAOYSA-N 442.587 4.652 30 10 IJEE CCCCC1CCC(C(=O)Nc2ccc(CNC(=O)c3nc(O)c(C#N)cc3C)cc2)CC1 1443148161 NGHUZBQFNOEHCR-UHFFFAOYSA-N 448.567 4.832 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(Br)cc1 1450269513 FPCGUYLEVDCNRA-KRWDZBQOSA-N 439.334 4.867 30 10 IJEE C#CCN(C(=O)c1sc2ccc(F)cc2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1455815225 YQHPXYDZOHCGEY-UHFFFAOYSA-N 430.545 4.824 30 10 IJEE C=C(C)C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OCC 1462500189 FYBQXWJSNKPINY-MRXNPFEDSA-N 427.353 4.674 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccc(F)cc3F)C3CCCC3)n[nH]2)c1C 1464866319 CEAPWJRVURAZGO-UHFFFAOYSA-N 439.510 4.939 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1 1466816746 NEEZNHOJMXIQPL-IBGZPJMESA-N 435.362 4.827 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(OC)c(Cl)cc3C3CC3)n[nH]2)c1C 1469670097 NQISAJKKYMOUBQ-UHFFFAOYSA-N 425.920 4.868 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 1470490917 SMAZXZBZVOFIOV-DNVJHFABSA-N 437.540 4.597 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2ccc(Cl)c3ccccc23)cc(OC)c1OC 1474892794 NOLLEWPUIMYNMN-UHFFFAOYSA-N 431.941 4.717 30 10 IJEE CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccc(F)cc1F 1475099351 AKWJVXPBBCSGMX-KRWDZBQOSA-N 432.414 4.921 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 1479049272 GUODHEKDHZTBIM-RBUKOAKNSA-N 425.342 4.634 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1)c1ccccc1 1479191309 VGSQEIVJXLBXDL-RUZDIDTESA-N 449.595 4.634 30 10 IJEE CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1500463612 CTTGYESGVZWOOI-QGZVFWFLSA-N 426.721 4.603 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)c1ncc(C)s1 1507520863 HJZQRBIULRMPCT-KGLIPLIRSA-N 431.512 4.573 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1sccc1C 1507523719 QUROKCRYJVYOSK-OAHLLOKOSA-N 429.387 4.892 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCCCC1 1507591684 MWBRULIYIHMVBG-NRFANRHFSA-N 443.636 4.823 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1507764111 KCMCPKAILWEHDS-PBDKAQRYSA-N 449.643 4.702 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC1(OC)CCC1 1507766243 YTZCDRRNVHCNBV-FDDCHVKYSA-N 426.536 4.509 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)c1ncc(C)s1 1507814082 BVILZCZYWRDAFA-MRXNPFEDSA-N 441.601 4.933 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](SC)C(C)(C)C)CC1 1507877622 LVJGSLCBEMHRNN-HXUWFJFHSA-N 430.618 4.896 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@](C)(O)CCC)CC1 1507897094 MFFDFLGMDFFSHH-OAQYLSRUSA-N 433.394 4.661 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1507933669 AENZDWIFIGWPFT-UWJYYQICSA-N 448.970 4.899 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@](C)(CC)C1 1507958619 GSKNCTMUILRRSB-DEOSSOPVSA-N 444.645 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507974293 FXQFHKOJFBSWDM-BGYRXZFFSA-N 439.648 4.753 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1508010341 RBKMOEKRPCDBJW-UEXGIBASSA-N 442.526 4.791 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(C)C)C1 1508118900 XXCVFZDROYLZDB-INIZCTEOSA-N 437.357 4.674 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NCc2c(C)cc(Br)cc2C)cc1OC 1519588453 JEQWZBSHLIZDHO-CLFYSBASSA-N 430.342 4.969 30 10 IJEE C=C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1521720435 RVOKZOSVEUKYBU-UWJYYQICSA-N 441.369 4.729 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]2C3)cc1 1523209152 CJVLJYMZJPTUDN-WMIMKTLMSA-N 447.556 4.572 30 10 IJEE C[C@H](C(=O)OCc1cc(Br)cc(C#N)c1)c1ccc(Br)s1 1524918565 AOOQCFBRWMXTGL-VIFPVBQESA-N 429.133 4.992 30 10 IJEE C=CCN(C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1525330799 LHKUDCTYXRUHMJ-SOLBZPMBSA-N 432.611 4.805 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C 1527079155 KIRCNUJEGLGTLX-FGZHOGPDSA-N 425.573 4.937 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)c1 1527476552 QDJOXZHOHJKDMK-UHFFFAOYSA-N 446.934 4.540 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 1529644273 GDNOBVGSVFRNOL-INIZCTEOSA-N 445.485 4.922 30 10 IJEE Cc1cccc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C 1530864128 GZPOZWDXFKBTST-AUSIDOKSSA-N 435.955 4.935 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1 1534343966 KYQWUKLUQFVHBK-FPOVZHCZSA-N 442.506 4.964 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)c1ccccc1 1536595028 RPTUNXFBOPYCJC-FQEVSTJZSA-N 444.597 4.599 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccccc1NC(=O)OC(C)(C)C 1537074753 CTOXCGVVNAKODA-UHFFFAOYSA-N 437.540 4.513 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)c(F)c1 1538984189 CRRLEPWKCJOJSK-MRXNPFEDSA-N 438.572 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1cc2ccccc2s1 1539676923 YQBZUEIMMBDTGZ-UHFFFAOYSA-N 434.613 5.000 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(OCCc2ccccc2)CC1 1539812818 UIBPZPYQMNGXRC-UHFFFAOYSA-N 443.016 4.911 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2c(CC)noc2C)CC1 1539828815 PKSDAESMBZZHLQ-KRWDZBQOSA-N 425.508 4.621 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](CCC)OC)CC1 1539835630 FVIWFZOYOPAIBP-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2CC(F)(F)C2)CC1 1539859071 IZABSHJXYGVUNZ-KRWDZBQOSA-N 437.535 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539912425 IHKFFRSIZBPZQV-UHFFFAOYSA-N 433.604 4.672 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1539982532 XTTPUYPJHOYDPN-SFHVURJKSA-N 430.980 4.587 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)nc1 1540146807 JUQYJMFCNIQJNC-UHFFFAOYSA-N 436.629 4.774 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1540158396 GHWPTZVISUHERE-DLBZAZTESA-N 431.378 4.701 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N1CCCCCC1 1540158835 RSUFSGXLHVIBJE-UHFFFAOYSA-N 427.980 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1540175469 ZKWVWWSTXJKNGQ-QPPBQGQZSA-N 449.599 4.748 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=C)Cl 1540181789 AFQDOJMOJUGYPV-UHFFFAOYSA-N 434.931 4.916 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1CCC(C(F)(F)F)CC1 1540194427 NZJXSQMYXFAMPS-UHFFFAOYSA-N 447.505 4.824 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 1540479917 FRNBZJGZSFFXCE-OAQYLSRUSA-N 426.488 4.541 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)s1 1540671445 ONVQZTGFNGBPHF-IBGZPJMESA-N 432.549 4.793 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2Cc2sccc2Br)C1 1540888417 PELURTFKRNOOEX-MRXNPFEDSA-N 445.386 4.599 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCSC(C)(C)C1 1540910071 WNOHOVIJFKUIKJ-INIZCTEOSA-N 436.622 4.808 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1CCc1cccs1 1541235940 GRHRQWUVTIPBKW-WOJBJXKFSA-N 427.618 4.631 30 10 IJEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)Cc1cccs1 1547547833 BLDIRBYXYHYBDG-NQIIRXRSSA-N 435.597 4.762 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 1559763430 DKFOQCOYGUBQPW-JPYJTQIMSA-N 443.950 4.805 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1561403083 XARHGCPABVULPU-AWEZNQCLSA-N 434.461 4.969 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)C1 1570661909 LWJNRLSBEMZYDN-AWEZNQCLSA-N 431.319 4.827 30 10 IJEE CO[C@@](C)(CNC(=O)c1ccccc1Oc1ccccc1C#N)COCc1ccccc1 1587066996 GBGCFNRMSGUNEG-SANMLTNESA-N 430.504 4.702 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1587229868 KTDHXGOOUSEOPR-XXBNENTESA-N 426.582 4.685 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CN(C(=O)OC(C)(C)C)C1 1587548110 YBQQHBUKFIOQMD-KRWDZBQOSA-N 427.570 4.773 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1CCc1nc(C(C)(C)C)cs1 1588433199 MYAHWEOFCQCWJI-UHFFFAOYSA-N 435.641 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1cccc(O)c1 1589559249 OZHMVWUIZAVUDV-MONBJTKQSA-N 438.597 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCCOC(F)F 1589599600 IYTHJZCXTBXMHD-UHFFFAOYSA-N 429.309 4.739 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CC[C@@H](C)N1CCCCC1 1589676188 OQDCEVJXOAWDOZ-JOCHJYFZSA-N 434.632 4.948 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC[C@@H]1C 1593872419 HNCUWYBXSBIVLZ-WBVHZDCISA-N 440.979 4.613 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CSCCS2)CC1 1594013291 FCAUIVCCVYIMKV-QFBILLFUSA-N 434.606 4.562 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1594077014 GFGTVEMSSFIYHT-LJQANCHMSA-N 425.577 4.713 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[S@@](=O)C(C)(C)C)CC1 1594209212 UBGDPODVURZRIW-GDLZYMKVSA-N 439.000 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H](OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594528094 FLFIAWXZZMIZLY-NBGIEHNGSA-N 448.652 4.705 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)CN1CCCC1 1595133013 BLPADEATIOLEEM-NZQKXSOJSA-N 441.595 4.583 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(Cl)=C(Cl)C1 1595366744 LOAFUWLOPFYAHS-UHFFFAOYSA-N 444.160 4.802 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CCC)C1 1595664285 AEUAIXDTDGVOBZ-OAQYLSRUSA-N 438.597 4.549 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)Cc2cccs2)C1 1595699894 ISMCOBZBIWZYCJ-RXVVDRJESA-N 438.597 4.675 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C1 1595700986 VPJHFASUELDOJU-GOSISDBHSA-N 439.972 4.556 30 10 IJEE C=CCSCCn1c(N2C[C@@H](C)N(CC)C[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1595905112 DHWNZCFWWIONMU-RTWAWAEBSA-N 439.673 4.586 30 10 IJEE C#Cc1ccc(C(=O)NC[C@H](c2ccc(SC)cc2)N2CCc3sccc3C2)cc1 1596071868 VCIQYWGUTDYJMV-HSZRJFAPSA-N 432.614 4.981 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1nc(C(C)(C)C)cs1 1611307751 GGASRLQOTGXFNI-OAHLLOKOSA-N 426.565 4.549 30 10 IJEE Cc1nc(SC2CCCC2)sc1CC(=O)N1CCCN(c2ccccc2C#N)CC1 1611468888 GQLRDTBENQXTPQ-UHFFFAOYSA-N 440.638 4.639 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccc(C)cc4)cc3)cc21 1615748837 LATXGEFJSZIQDH-UHFFFAOYSA-N 445.544 4.757 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)CC1 1618407608 CHFMPLYRCKVRLG-UHFFFAOYSA-N 435.515 4.773 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 1624825166 BLEMSFSNQZXVAQ-UHFFFAOYSA-N 438.524 4.763 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1cccc(Br)c1I 1627249815 RYSPLEMTMYNWEW-NSHDSACASA-N 434.115 4.625 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1 1630193854 GRKANQHNSYPUKB-YOEHRIQHSA-N 443.371 4.706 30 10 IJEE C=CC1(CC(=O)NCC2(Nc3ccccc3C)CCCC2)CN(C(=O)OC(C)(C)C)C1 1636544501 FZZLWIISFKWGEX-UHFFFAOYSA-N 427.589 4.649 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1)c1ccccc1 1638029671 ORINEHRJDOACGS-LADGPHEKSA-N 449.595 4.714 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1(C)C 1638563074 DLJNWCQUUANDMT-LEWJYISDSA-N 435.524 4.772 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(Cn2cc(Br)cn2)cc1 1638664442 PFQBNJQSVHSLRX-UHFFFAOYSA-N 440.341 4.844 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 1638916768 LEJLRHWPNXUTDJ-FQEVSTJZSA-N 438.936 4.554 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)N[C@H]1CCCC[C@H]1C)C(C)C 1643753110 IVEULENITWXZSI-CBQOVEMMSA-N 442.629 4.855 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](c2cccc(Br)c2)C1 1653649152 MZUXSWDIZRMOHC-WMZOPIPTSA-N 433.415 4.903 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 1654703097 YLRJWLMAUAVMDY-INIZCTEOSA-N 432.395 4.739 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@@H](C(=O)OC)c1ccc(Cl)cc1 1656340477 LMISMSGEBWGVAJ-LJQANCHMSA-N 429.929 4.703 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)COc2ccc3cccnc3c2Br)cc1C 1656750890 HLEMSOJJSZISRH-UHFFFAOYSA-N 438.325 4.940 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)c(OC)cc1Br 1661800765 DONVFWIQUBCLQH-UHFFFAOYSA-N 444.778 4.531 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cc(F)ccc2SCC(F)F)CC1 1667393572 DJCVLBDBKUATJN-UHFFFAOYSA-N 438.450 4.548 30 10 IJEE Cc1cccc(C)c1OC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 1667901275 HGVUHNPSTBLWJA-JOCHJYFZSA-N 440.952 4.927 30 10 IJEE Cc1c(C#N)cccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 1669814164 HDVFSLNNCFJKIZ-UKILVPOCSA-N 428.511 4.796 30 10 IJEE COc1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OC2CCCC2)c1 1669926518 CUIHALDPLVOUCN-ZEQRLZLVSA-N 433.552 4.998 30 10 IJEE C#C[C@@H](NC(=O)NCc1csc(CCc2ccccc2)n1)c1ccc(Cl)cc1F 1670156126 PKLICIQFXHLEAF-HXUWFJFHSA-N 427.932 4.895 30 10 IJEE N#C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Oc2cccc(Br)c2)CCO1 1671967516 ATPFDZQQUJFFQA-HNNXBMFYSA-N 436.693 4.651 30 10 IJEE C#C[C@H](NC(=O)N1CCc2c(ccc(OC)c2OC)[C@H]1CC)c1ccc(Cl)cc1F 1674036004 ITKADQRQXYOUJG-VQTJNVASSA-N 430.907 4.890 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 1674519013 PPNUJWMPNXOWBC-XTEPFMGCSA-N 439.559 4.878 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCc3cccc(C(F)(F)F)c3C2)cc1C#N 1675656332 ACYIRHSPSWGTGO-UHFFFAOYSA-N 432.402 4.736 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 1677496420 QOFLSIPOHJVVMH-UHFFFAOYSA-N 439.487 4.775 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(Br)cc1 1680628744 BPMGBFMEOAJUMP-ZWKOTPCHSA-N 431.305 4.864 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](OC(C)C)c1ccccc1OC)c1ccc(Br)cc1 1681620593 HPLRJJYKMBJVCP-FPOVZHCZSA-N 445.357 4.598 30 10 IJEE C=C(C)[C@@H](NC(=O)NCCc1cc2ccc(C(=O)OC)cc2o1)c1ccc(F)c(F)c1 1681783127 DKXXUMTVGYLNIM-OAQYLSRUSA-N 428.435 4.657 30 10 IJEE C=CCC1(CNC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CCCC1 1686449950 IPHSENBKKRQLNV-UHFFFAOYSA-N 448.405 4.946 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@](C)(OC)C1CC1 1690090859 AOVVFEUTICUOTI-DEOSSOPVSA-N 438.572 4.524 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cnc(C)s1 1690157973 UHYMAKGCDZZESX-UHFFFAOYSA-N 448.621 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1OCC(F)(F)F 1690201738 WIKPECIMSLTNAH-JOCHJYFZSA-N 443.473 4.563 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC[C@@H](OCC)C1CCCC1 1690209065 IWLQMGBKOBEVNO-ZJSXRUAMSA-N 441.645 4.611 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC)C1CCCC1 1690223168 HGQSAJJSYIANFB-UHFFFAOYSA-N 435.366 4.640 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2ccccc2N2CCCC2)nnc1C(C)(C)C 1690252499 FPSBSVWECXHGBJ-FYYLOGMGSA-N 437.632 4.793 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1690264063 OMUULXICWHTVII-AZUAARDMSA-N 431.625 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1690271595 VYGDUPUNQOXFMH-SFHVURJKSA-N 448.036 4.541 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1ccc(C)o1 1690337557 RNMVDUGWAOAJST-SFHVURJKSA-N 428.920 4.958 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690475239 KKDLGJVLNJBLFU-DLBZAZTESA-N 432.410 4.593 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(C)(C)c1ccccn1 1690519879 APZYEMKGGYXZLM-UHFFFAOYSA-N 435.572 4.736 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CC[S@](=O)C(C)(C)C 1690603604 FPWQLXZNWAENRA-PMERELPUSA-N 430.662 4.649 30 10 IJEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CCC1 1696646716 DTMBFDKDRXEHSQ-CVDCTZTESA-N 437.588 4.559 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)Cc1cccs1 1705548035 WOVLRHHSNRLSMG-HNNXBMFYSA-N 429.387 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H](C)c1ccco1 1705709509 QJVFSRAKJOHWLR-REHUZNOOSA-N 436.556 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(C(N)=O)CCCC1 1705710037 HLJBDCYEMJOHIO-KRWDZBQOSA-N 445.995 4.520 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)c1ccccc1F 1705795193 DWBYTOUZBRUZKA-WFXMLNOXSA-N 430.568 4.941 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705813723 RJAAGEUPUXUSNN-GUYCJALGSA-N 444.885 4.729 30 10 IJEE C=CCCCn1c(COCC)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1705823649 RDMORVPPQVDVOX-SFHVURJKSA-N 425.360 4.666 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1C 1705864914 BJRMYRVQUYFUNC-RXVVDRJESA-N 433.581 4.743 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC1CCCC1 1705895653 NZXRABWHTPIVCB-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@H](CCC)OC)C1 1705919967 NOFSRDKOYWHFDT-YSIASYRMSA-N 444.645 4.728 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H](C)C1 1722493885 ALQXOYCHFMIYDN-XQFWAAQXSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1SC 1722495424 HJLPCPVHTJJGKE-UGKGYDQZSA-N 435.597 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)C[C@H](C)CC 1722503432 KZMLFKMIYWKRSG-ZHRMCQFGSA-N 426.605 4.937 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1722530075 LVEZVFNKTCZDIL-WOJBJXKFSA-N 442.604 4.816 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)CC1 1722530365 SCCBJZCUXCSZPW-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)c1cccs1 1722549891 CDUFFBYPQAZGCA-ZDUSSCGKSA-N 426.933 4.605 30 10 IJEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)cc2C(F)(F)F)CC1 1722568407 KWWAHTNEUNWGFX-UHFFFAOYSA-N 448.468 4.502 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722612207 GNVDZZKFTVKROA-SFHVURJKSA-N 444.023 4.942 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1csc(-c2ccco2)n1 1722666068 IXDCWXQXBCPNOX-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H](C)C1 1722673658 ZIBPVABVVPMPKE-GMAHTHKFSA-N 431.584 4.699 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC2(CCCCC2)O1 1722678462 RIQJTNDPHFSYCZ-LJQANCHMSA-N 445.995 4.514 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)c1nccs1 1723816164 FCELXOVPCJSBFE-CVEARBPZSA-N 440.548 4.557 30 10 IJEE CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(F)(F)F)CC2)CCOCC1 1724042485 AACJBWISSYHGGQ-UHFFFAOYSA-N 447.505 4.802 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc([C@H](C)O)cc1 1740540226 UGRGXRFETDAIBL-SQNIBIBYSA-N 434.609 4.691 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCc1nc2c(s1)CCCC2 1740558809 XYKAJQIPVPBSPU-IBGZPJMESA-N 449.624 4.510 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1740573734 AWVUTJAVSYUQHY-YADHBBJMSA-N 438.572 4.682 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)c1nccs1 1740732425 CMXAIGVQENTJTR-KSFYIVLOSA-N 425.989 4.775 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740775179 PMBRXZVAXRKDFB-HFZDXXHNSA-N 439.648 4.790 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1740782591 WMFHEBNHGWOIAO-SJLPKXTDSA-N 437.357 4.658 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCCC 1740789422 DSYUDWQTONLSIZ-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1740821782 RBYNWRDTQRXKPM-FQEVSTJZSA-N 425.577 4.651 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cscc2C(F)(F)F)CC1 1740833633 UYFFYMVPDDSRFW-CQSZACIVSA-N 444.523 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CCC 1740847853 WABCHNCQNFIESV-GOSISDBHSA-N 436.604 4.667 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1740855094 LIAXOJDPXBGOFS-UKILVPOCSA-N 445.611 4.877 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccs2)CC1 1740880860 PIXFEWDQZPCHEA-UYAOXDASSA-N 429.634 4.551 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN(C(C)C)C1 1740928442 HSZIWUDZQADYBA-NRFANRHFSA-N 430.600 4.792 30 10 IJEE CC(C)(C)CCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1741201738 FMKMZEUBLXNAQO-QFIPXVFZSA-N 430.556 4.616 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cccc(C(F)(F)F)n1 1748643515 WKMIPQREBWEJLD-QGZVFWFLSA-N 439.485 4.668 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCSC1 1748680377 RFVGJQGCGNUPHR-OALUTQOASA-N 447.048 4.853 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCCCN1CCCC[C@@H]1C 1748876561 KZXYMUARWNIDGB-NRFANRHFSA-N 438.019 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1SC 1749129522 FASMWYLRGXSWDY-VWPQPMDRSA-N 442.629 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)S[C@H](C)C1 1749141125 WYQFIWCONIABJS-OWQNAKTJSA-N 448.677 4.508 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](CC)O[C@H](C)C1 1749203670 HYNKHSSQUMTZAB-ZBFHGGJFSA-N 425.360 4.744 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1749217994 FZBIBJCXVQHILV-NRFANRHFSA-N 442.947 4.671 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749251224 AGDRJYHTTFERJU-VNTMZGSJSA-N 430.980 4.506 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1749336067 XIVKDIZXKXQYIU-RTWAWAEBSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1CC1CC(F)(F)C1 1749529531 GWSKUTASEAJOIL-UHFFFAOYSA-N 439.510 4.510 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC=C 1749544848 PHWLGXJCOQDTSN-KDURUIRLSA-N 441.551 4.567 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@H](C)c1nccs1 1749591489 SNYRAOKSVCPGOS-KRWDZBQOSA-N 434.569 4.737 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](OC)C(C)C)C1 1749700937 OKFGYBNSWVGHGV-QFBILLFUSA-N 439.387 4.704 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2sccc2C)C1 1749714380 ISXIFNHTJUACGY-IBGZPJMESA-N 428.989 4.722 30 10 IJEE Cc1cnc([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)s1 1751733564 HNEKNBISAMGQCO-WAIKUNEKSA-N 438.576 4.707 30 10 IJEE Cc1nc(C)c(CCn2c(CCCc3ccccc3)nnc2N2CCC(CC#N)CC2)s1 1751758309 DHFYONAVDZPWNZ-UHFFFAOYSA-N 448.640 4.900 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2ccsc2)CC1 1760131343 ZTJFEQADBZLRSU-UHFFFAOYSA-N 440.016 4.786 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1F 1760195985 CLVHKYOCVCWPQU-QGZVFWFLSA-N 432.568 4.700 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCCC[C@H](C)C1 1760274808 UTJBCFOIBBAZHL-INIZCTEOSA-N 433.419 4.700 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CC(C)C 1760275174 RKKQIAIOTALFAB-UHFFFAOYSA-N 425.627 4.836 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)C1CCC1 1760317733 JXINUXIDWYSUOT-AUSIDOKSSA-N 440.588 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCc1nc(C)c(C)s1 1760338257 HGEJRPGCBAZEHJ-UHFFFAOYSA-N 431.556 4.866 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC(C)(C)OC(C)(C)C1 1760415966 QARACLCCDMRNFF-UHFFFAOYSA-N 430.568 4.992 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760424395 FRKLRTVEAKOBPU-UHFFFAOYSA-N 445.995 4.869 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760433668 KOJSRUYUSDHKHI-IBGZPJMESA-N 441.645 4.546 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)c2cccs2)CC1 1760513617 QEEWKFQWASQOBE-UHFFFAOYSA-N 436.581 4.821 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC(C)C)C1 1760538849 HJCFESIGDBPZFL-KRWDZBQOSA-N 449.393 4.544 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)C2CCCCC2)C1 1764409921 BASWDMLZDYCZGN-RBBKRZOGSA-N 434.632 4.954 30 10 IJEE CCc1ccc(C[C@@H]2SC(=Nc3ccc(C(=O)O)cc3)N(Cc3ccco3)C2=O)cc1 1772728043 GYQOFRMQOYGQHW-NRFANRHFSA-N 434.517 4.915 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 1772790498 DISLSRKPSAVDFZ-UHFFFAOYSA-N 429.325 4.880 30 10 IJEE N#Cc1cccc(C(=O)Nc2ncccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 1858710732 WPTXSLJAARACDY-UHFFFAOYSA-N 441.274 4.530 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)COc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858825396 FKCMOXPPTQDWBC-UHFFFAOYSA-N 435.871 4.577 30 10 IJEE Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc4nc(C)oc4c3)cc(C)c2c1 1859749963 DAGVKNCGDREFSU-UHFFFAOYSA-N 436.475 4.919 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 1861119933 AYVYLCFIKHNEPD-MMYRTMNYSA-N 437.540 4.942 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 1862547121 NBWCFBCPRYEKME-QHCPKHFHSA-N 446.503 4.995 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccc(F)cc2)cc1 1862590688 NTPGDOPVPMXOII-DEOSSOPVSA-N 445.490 4.915 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc2c(c1)OCCO2 1862619814 CRXGPGSLQVANSI-JOCHJYFZSA-N 433.504 4.520 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc3cc[nH]c3c2)cc1F 1862640397 HXHDZTSLJHPPND-QFIPXVFZSA-N 434.467 4.837 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc2ccccc12 1862720450 WPXYMHFSMHJGSC-CRICUBBOSA-N 437.495 4.952 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1CCc1ccccc1 1862736817 OVSWAFOFHYEONT-QHCPKHFHSA-N 442.471 4.724 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3)C(=O)N(CCCCc3ccccc3)C2=O)cc1 1863144432 KFQMCMJLFYVPRT-UHFFFAOYSA-N 439.490 4.912 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(CC)cc2Br)=C(c2ccc(F)cc2F)C1=O 1863318762 AWDHRFLRVUXMJK-UHFFFAOYSA-N 447.279 4.668 30 10 IJEE CCCCCCCCNC1=C(c2cc(Cl)ccc2Cl)C(=O)N(CCN(C)C)C1=O 1863722448 KOKXYUWANCFENN-UHFFFAOYSA-N 440.415 4.585 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccc(F)cc1 1864779992 WZNIKONYAZORBE-NRFANRHFSA-N 442.579 4.819 30 10 IJEE COc1cccc([C@@H](C)CC(=O)N[C@@H](C(=O)Nc2ccc(C#N)cc2)c2ccccc2)c1 1867113399 OKZZTYOYFBAXIR-AVRWGWEMSA-N 427.504 4.557 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2)ccc1Cl 1870146811 JFAAETMGABSTLM-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1F 1870156960 JKXFGJYMTABREL-UHFFFAOYSA-N 448.285 4.691 30 10 IJEE CCCCCCOc1cn(CCOC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870186821 RKBPUBFJZKZACU-UHFFFAOYSA-N 443.613 4.938 30 10 IJEE C#CCOc1cn(CCc2ccc(F)cc2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1871004694 SHQJLEACDCPCIM-UHFFFAOYSA-N 440.902 4.516 30 10 IJEE O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc(O)c2CN1CCCc2ccccc21 1871395372 PPJWEJQKUJSJLU-CFRMEGHHSA-N 427.456 4.690 30 10 IJEE CN(C)C1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)CC1 1871396132 QQPLYSLVAAHKIA-JLPGSUDCSA-N 434.580 4.832 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872441149 KWZBUHCGXXUDLP-JPYJTQIMSA-N 444.597 4.624 30 10 IJEE N#C[C@H](C(=O)CNC(=O)c1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872760104 HKGDGWNRKWCBRQ-HXUWFJFHSA-N 449.963 4.949 30 10 IJEE CCc1ccc(/C=N/Nc2cnn(-c3ccc(Br)cc3)c(=O)c2Cl)cc1 1873529148 NYKRMDDTUNBVID-SSDVNMTOSA-N 431.721 4.657 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(F)c(Cl)c1)n2CC=C 1873662833 OWTOYAWCMGJIAU-UHFFFAOYSA-N 425.895 4.841 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(C#N)cnn1-c1cc(F)cc(F)c1 1873685132 YCCGAFZDWWZPND-JTQLQIEISA-N 437.233 4.735 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1ccccc1 1874284306 ZCPGERALXQFKPZ-BUVRLJJBSA-N 442.972 4.644 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(C(=O)OC)cc1 1874362434 FFWOHMKNDXNDIM-MFKUBSTISA-N 434.565 4.709 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccn2)c1C 1874420797 FKTQXLKXWQWOBG-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE C[C@H](NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1)c1ccccc1 1874457471 QJDAPRQDEVJBMI-LEBHPONQSA-N 433.581 4.787 30 10 IJEE CC(C)Cc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874487130 AQPQPXSDJABCNJ-ZMOGYAJESA-N 426.517 4.561 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1ccc(F)cc1F 1874489434 RJQNGCRFSYEZAI-BRJLIKDPSA-N 443.523 4.676 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)C)n2/N=C/c2ccccc2F)cc1 1874489481 UWINZFWZWDIVBL-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCCOc1c(/C=N/n2c(COC)nnc2SCc2cccc(F)c2)cccc1OC 1874497836 CZZBPQBZKJMWGV-ZMOGYAJESA-N 444.532 4.536 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C/c1ccc(OCC)cc1 1874507289 VMEPPBCZNIBOAS-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)NC3CCCCC3)c2)cc1F 1874597486 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TYLCSPZIVSFJFY-JTQLQIEISA-N 436.327 4.588 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccn2cc(-c3ccccc3)nc12 1891670769 KWFCAWZIYWMUOG-UHFFFAOYSA-N 449.432 4.832 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(C)cc(Br)c1F 1926705935 BBDDYNVHVAWYQZ-FUHWJXTLSA-N 427.358 4.854 30 10 IJEE CC[C@@H](C#N)Nc1cc(Br)c(I)c(Br)c1 1931648837 DBGBRMMEARMGLA-LURJTMIESA-N 443.908 4.530 30 10 IJEE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(F)c(C#N)c1 1951789675 GVHATCCUCBJBDE-VWLOTQADSA-N 430.435 4.536 30 10 IJEE CC(C)(S)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(=O)O)C(F)F 1952561577 DLBLNQUXDGSIGD-PXNSSMCTSA-N 449.519 4.958 30 10 IJEE C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@@H](C)N1C(=O)OCc1ccccc1 2006297544 VNROOHBQXABJQV-HZPDHXFCSA-N 428.330 4.557 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@]2(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C1 2013354727 MPRMJCPYPKTWMX-RTWAWAEBSA-N 434.541 4.607 30 10 IJEE Cc1cc(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(C#CCCO)s1 2039472226 NIEOLXKIAHTHOX-UHFFFAOYSA-N 446.616 4.565 30 10 IJEE CCN[C@H](C#Cc1ccccc1)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2103685035 NUMKCZSEMDYNPC-NAKRPHOHSA-N 448.607 4.860 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2118196157 DJTRSQCBHKWDKG-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c(F)c1 2124522845 YMOYFZLCGFKHKL-OAHLLOKOSA-N 448.344 4.871 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCCC 2126707088 YZKNICOWAVEGQZ-JKSUJKDBSA-N 433.337 4.717 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccc(Br)cc2C#N)CC1(C)C 2181098620 OZAWVHLEXIBWFO-CYBMUJFWSA-N 436.350 4.685 30 10 IJEE C[C@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(C#N)cc2Br)CN1C(=O)OC(C)(C)C 2181114364 JWRYOKQALJNRQE-IPYPFGDCSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CC(=O)Nc2cc(Br)ccc2C#N)C1 2181155192 NMYMOFGSCLJITG-KBPBESRZSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2ccccc2Br)CCC12CCC2 2235726175 JUVPFQDHLKHKGD-HKUYNNGSSA-N 433.390 4.698 30 10 IJEE C#CC[C@H](CC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237431991 PAXLQVDNIIYEKB-VQIMIIECSA-N 434.374 4.894 30 10 IJEE CCN[C@@H](C#CC1CCCCC1)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2251421010 ZGKVTKYDGFAQMS-BJKOFHAPSA-N 427.633 4.574 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc1 2265985109 CLBQUKQXWRIBTO-MRXNPFEDSA-N 440.349 4.759 30 10 IJEE CC(C)(C)OC(=O)N1CCSC(C)(C)[C@H]1C(=O)C#Cc1ccc(Br)cc1 2278794025 RFDVTVHVGZXAJH-QGZVFWFLSA-N 438.387 4.501 30 10 IJEE N#C[C@H](C(=O)c1c(F)cccc1I)c1ccc(Br)cc1 2282777493 IDGUMQUYHXLBOO-NSHDSACASA-N 444.041 4.683 30 10 IJEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN=Cc1cc(Br)ccc1O 2293993149 NQSFTXJWSWCHJR-UHFFFAOYSA-N 432.196 4.613 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)CC1(N(C)C(=O)OC(C)(C)C)CC1 2296217070 QGKIIKIYILMBOG-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CC[C@@]1([C@@H](C#Cc2cccc(Br)c2)NC)CCCCN1C(=O)OC(C)(C)C 2296220703 AXAIPYWNDAKPDI-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2296287077 SDQYOIBWCBMDSD-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@@H](C)C1 2296289488 SCXHAJMWTJGPJQ-ZWDAVXSWSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1 2296290718 GTVCGVPSLNVDDG-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@@H](N)C#Cc3ccc(Br)cc3)c21 2296290946 JDMQIBGRUVMLEH-IBGZPJMESA-N 427.342 4.798 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2296294073 PPDDGJVEDQLYFD-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE COc1ccccc1C=CC=C1Oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2C1=O 2296868012 ODMILIWOBBXECQ-UHFFFAOYSA-N 442.423 4.816 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 2305197826 RRNOJGKMGPXROK-BINBFKAUSA-N 428.573 4.696 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(F)cc2)CCOCC1 2318923345 PDKRDVNTEYOYAG-GOSISDBHSA-N 449.523 4.533 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C)n2N=Cc2c(Cl)cccc2Cl)c1 2321096046 LXIBYXZNJLOSSE-UHFFFAOYSA-N 434.352 4.815 30 10 IJEE Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2321860894 KAIUWPAITLDGCW-UHFFFAOYSA-N 431.282 4.704 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccccc2)cc1OCC 2322060303 GLNZEPQXROEDLX-UHFFFAOYSA-N 440.569 4.648 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(CCOC(C)C)CO2 2322327790 CPICTXYQTDDJRM-UHFFFAOYSA-N 432.520 4.680 30 10 IJEE CCc1nc(NN=Cc2ccc(OC)c(OCc3ccc(C)cc3)c2)sc1C(=O)OC 2323854451 CPCCNRQYBWATCJ-UHFFFAOYSA-N 439.537 4.834 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)C=Cc1ccc(OCC)c(OC)c1 2323858548 KYBICLLPOYPIQN-HXUWFJFHSA-N 432.605 4.869 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)cc(C)c3C2=O)c1 2325019719 GJIAAZGBJUOIRZ-GOSISDBHSA-N 443.499 4.876 30 10 IJEE CC(C)COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2325063199 QOAQRPCNRYAUCC-UHFFFAOYSA-N 431.282 4.643 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1Cl)C2=O)Nc1ccc2c(c1)OCO2 2325182146 CFKKHLRQOJPDRP-UHFFFAOYSA-N 449.846 4.702 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325234906 CCJLQVGJYXGSOC-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(OC)ccc1OC 2325512678 AREOWIWZQXGLHF-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 2326257431 WIQKSJONNMQWFB-LVXARBLLSA-N 442.600 4.993 30 10 IJEE CCCCOc1ccc(C=Nn2c(Cc3ccc(OC)c(OC)c3)nnc2SC)cc1 2326714563 HEJYHRISEGIXON-UHFFFAOYSA-N 440.569 4.669 30 10 IJEE CCCCCOc1ccc(C=Nn2cnnc2SCc2ccc(C(=O)OC)cc2)cc1 2326781076 NMVNYVIUPUUKNG-UHFFFAOYSA-N 438.553 4.808 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1c(F)cccc1Cl 2326795758 PMRDKCBMGSCXKA-UHFFFAOYSA-N 446.935 4.984 30 10 IJEE CC(C)OC(=O)c1ccc(CSc2nncn2N=Cc2ccc(OC(C)(C)C)cc2)o1 2326862791 ZEYOURVYANQLSS-UHFFFAOYSA-N 442.541 4.788 30 10 IJEE CCCOc1cccc(C=Nn2c(COc3ccccc3OC)nnc2SCC)c1 2328278349 BZIBDKKHKYHRMS-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE Cc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329034701 DJIOLVKHGZWCAY-JOCHJYFZSA-N 447.608 4.528 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2-c2cccs2)c1 2330587857 XIRHAYPMXHBHPW-UHFFFAOYSA-N 439.610 4.738 30 10 IJEE COCCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccc(C(F)(F)F)cc1 2331245972 OAOWHOUHQLAQPT-UHFFFAOYSA-N 438.450 4.799 30 10 IJEE O=C(O)CO[C@H](C#Cc1cccs1)c1scc(Br)c1Br 2363671866 WNWAZDGRIHSEFC-SNVBAGLBSA-N 436.146 4.529 30 10 IJEE C=CCC1([C@@H](O)CCc2ccc(OC)cc2Br)CN(C(=O)OC(C)(C)C)C1 2364850094 VWWMUCRACLARGS-SFHVURJKSA-N 440.378 4.564 30 10 IJEE C#Cc1cc(NCc2ccc(I)c(Br)c2)ccc1OC 2377352652 MDKQZUSDLQNRAV-UHFFFAOYSA-N 442.094 4.656 30 10 IJEE C=CCN(CC(=C)Br)[C@@](C)(C(=O)O)c1ccc(OCc2ccccc2)cc1 2378523700 VCILZKHVWCEVNM-JOCHJYFZSA-N 430.342 4.962 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccc(OCCC)cc2)S/C1=N\c1ccc(O)cc1C(=O)O 16926993 YWGJCQKIXHUKMA-AXBKCQHESA-N 438.505 4.669 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@H]2c1ccncc1 20414272 YZRAPIRCGQKDHX-SANMLTNESA-N 444.579 4.711 30 10 IJEE Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(CC#N)cc1 20974361 OKWPXTFQMMWTCM-UHFFFAOYSA-N 438.119 4.604 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c1 41292372 SHTCLVKGIHDYMW-XKZIYDEJSA-N 434.419 4.987 30 10 IJEE CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1 64874189 SVKSYFICUCDCKK-XMMPIXPASA-N 442.519 4.865 30 10 IJEE COc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)c(Cl)c3)S2)c1 100372857 ALWHOFFBBNBNDW-LTUQMTLXSA-N 438.336 4.592 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)ccc1F 169953375 YEIICOOEZXABHS-HSZRJFAPSA-N 430.479 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccncc2)cc1 170018433 OCSNQJSBILVKFA-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2C[C@H](C)O[C@H](C)C2)C1=O 170069808 JKKQJIVGDNFESG-HDICACEKSA-N 432.992 4.890 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2sccc2C)cc1 170106029 PINGLKVHCNQNNL-KRWDZBQOSA-N 440.546 4.921 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2OC)cc1 170122490 XFWWVLSDXGSDHU-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccccn2)cc1 170167729 VSSCYVKEKLRBTO-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccnc2)c1 170191039 DXOKVBRKBUYOOW-QHCPKHFHSA-N 428.488 4.962 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OCC)c(OC)c1 170216454 MJPHCIRSBRCGGA-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2F)cc1 170247241 MANGWOVUYVEWDJ-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2C)c1 170271483 RJYYJRCZVLHUAI-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1c1ccc(C#N)cc1 170272781 HJBNTRDHIRTJJK-JOCHJYFZSA-N 439.427 4.558 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)c(C)c1 170281873 JSBQBLMMNZXHQC-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccco2)c1 170287840 LDZDDIQEDIEUPE-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(C)o2)c(C)c1 170305051 MJBOUIKOMGMLSY-JOCHJYFZSA-N 428.444 4.560 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170362150 UDHFQAVMQTYDOE-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)c(Cl)c1)c1ccncc1 170367087 VLSZIARETSKJKI-IBGZPJMESA-N 442.805 4.502 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(F)cc1)c1ccco1 170376235 CHZSHUDAFOOIDG-QFIPXVFZSA-N 432.451 4.802 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@H]1c1ccncc1 170483071 ZBIFTADRTLEJLA-INIZCTEOSA-N 431.876 4.609 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCC(=O)c2ccc(Cl)cc2)nc2ccccc12 170509534 TXRFHWWMPBUEGX-UHFFFAOYSA-N 443.894 4.856 30 10 IJEE O=C(CCc1nc2ccccc2c(=O)n1C1CC1)Nc1cccc(C#Cc2ccccc2)c1 247761987 HXPDKFAWBBQODR-UHFFFAOYSA-N 433.511 4.703 30 10 IJEE C=CCOc1ccc(/C=C2/SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc1OCC 254866603 MXOKKOFBXIAGEO-ZOAXWHFDSA-N 438.505 4.582 30 10 IJEE N#Cc1cc(CNc2cc(Br)ccc2I)ccc1F 311676838 BSLRWHMDZMBMAE-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE COc1ccc(C#N)c(Nc2cc(Br)ccc2I)c1 311740399 QOVCYTLFSBQNGA-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE C=CCn1nnc(COc2ccc(Cl)cc2)c1SCC(=O)Nc1ccc(CC)cc1 334161881 GULGJJJBTSTMKY-UHFFFAOYSA-N 442.972 4.990 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1F)NCCC 406956605 IFDXRLGUUXZEJA-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](Cc1c(F)cccc1F)C(C)=O 436205444 CZHKOZFMYKIILQ-OAQYLSRUSA-N 443.519 4.922 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1F 437488203 CXZFUKFSSDXQLO-HSZRJFAPSA-N 445.450 4.859 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)[C@H]2C 439335256 ZFFBSDHVMDFUCX-HNNXBMFYSA-N 434.475 4.813 30 10 IJEE CCN(Cc1c[nH]c2ccccc12)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 461835074 RJWVQJNZGZOYBP-QFIPXVFZSA-N 440.551 4.894 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 475565434 PQJWJRVMYBATBU-HSZRJFAPSA-N 448.611 4.558 30 10 IJEE CN1CCC[C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H]1c1cccs1 487884674 SXIYWCWPMHTERI-KBXCAEBGSA-N 433.375 4.587 30 10 IJEE C=CCn1c(CC(C)(C)C)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508506847 GQTYJHLCVAWLGR-HXUWFJFHSA-N 427.980 4.658 30 10 IJEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 508885042 LVHLKSNKWMWGEM-NRFANRHFSA-N 430.600 4.772 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1ccc(Cl)cc1Cl 523133588 LMBXIIKVOXJBCF-DCGLDWPTSA-N 437.396 4.835 30 10 IJEE CCOc1cccc(/C=N\n2c(C)nnc2SCc2c(F)cccc2Cl)c1OC 526817632 ROKRUMFNBKKWOA-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 538402224 VBPRUGODHWDHDF-CYBMUJFWSA-N 445.401 4.559 30 10 IJEE C=CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 669811497 YVWSUMAAIHEOBH-JOCHJYFZSA-N 449.603 4.606 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)COc2cc(O)ccc21 698467137 CQEYRVMIWPETEC-HXUWFJFHSA-N 431.286 4.708 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)c(F)c1F)NCCC 701328932 IQYURGITHXLUGO-HZPDHXFCSA-N 445.348 4.555 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@]3(C)CCCN3C(=O)c3ccccc3)n2)cc1 735209160 XPGLTWFLLLHAJU-CPJSRVTESA-N 445.544 4.690 30 10 IJEE C=CCN(C(=O)/C=C\c1ccc(C)cc1Br)c1nc(C(=O)OCC)cs1 749128373 MIHHMRLVOAACDH-HJWRWDBZSA-N 435.343 4.623 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)cc1C#N 766539431 AICYCMXDIAVUGD-UHFFFAOYSA-N 431.496 4.744 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)CC2CCC(C(F)(F)F)CC2)nc1C 783574206 QXDSDKAYLITDOD-UHFFFAOYSA-N 445.536 4.882 30 10 IJEE C=CC[C@]1(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 792546912 GVNNLMARNQDDLN-BPYKYCOYSA-N 446.563 4.850 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809891509 TYBJAJLPTPBGFS-WXVAWEFUSA-N 446.595 4.751 30 10 IJEE C=CCc1cc(/C=C2\S/C(=N\C)N(C)C2=O)cc(OCC)c1OCc1ccccc1C#N 1083917021 ZCROIGAZQNVHES-BUNZEZOSSA-N 447.560 4.796 30 10 IJEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 1084052555 QOQHHFAAJUGKSU-RUZDIDTESA-N 428.492 4.670 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1 1084267771 FIRIXFLPSLAZBQ-QNDRJEQWSA-N 426.933 4.608 30 10 IJEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cc2)c1 1125289035 BKERLSIZLZXZCO-PCCBWWKXSA-N 425.326 4.636 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 1126062520 BJKILZQCMAAPCL-FQEVSTJZSA-N 433.390 4.649 30 10 IJEE Cc1nn(C)c(Br)c1C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 1126096315 BUZLUKOEFDFFNC-UHFFFAOYSA-N 443.732 4.863 30 10 IJEE C#CCN(C(=O)c1ccc2nc(C)sc2c1)[C@@H]1CCOc2ccc(Br)cc21 1126151947 VZCRMAFFGVVXGM-GOSISDBHSA-N 441.350 4.966 30 10 IJEE CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1cccc(OCc2ccccc2C#N)c1 1127093882 FMSVKLNYGBLKBG-RUZDIDTESA-N 442.515 4.904 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccc(F)c(F)c1 1128140017 FVRSOGITIMCVFN-HSZRJFAPSA-N 441.499 4.986 30 10 IJEE C=CC(C)(C)CC(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1134015684 JADBXTQFGWOANT-RBUKOAKNSA-N 428.573 4.745 30 10 IJEE C=C(Br)CNC(=O)c1ccccc1OCc1ccc(Br)cc1 1142703793 DIJYGCPPQVUSGB-UHFFFAOYSA-N 425.120 4.667 30 10 IJEE C=CCn1cc2ccc(NC(=O)C[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc2n1 1156691101 XUCYFPQMPQNRDN-NRFANRHFSA-N 434.540 4.687 30 10 IJEE C=CCCC(=O)CSC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccc(SC)cc2)N1 1164453615 PSKPZAOTVFAVKY-FQEVSTJZSA-N 432.611 4.903 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccn(C3CCSCC3)n2)cc1OC 1179321299 TUZQKYCPJCIAOU-UHFFFAOYSA-N 438.391 4.899 30 10 IJEE C=CCn1c(Sc2ccnc(-c3ccc(OC)cc3)n2)nc2cc(Cl)ccc2c1=O 1184557158 ZZAXGQCYKIKALY-UHFFFAOYSA-N 436.924 4.853 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)[C@H]1CCCO1 1203436809 WWUUXZXUDMTVOW-GDBMZVCRSA-N 434.949 4.584 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)c(Cl)c1 1209898412 YFMCCRMNGVKFMS-HNNXBMFYSA-N 446.776 4.995 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C)c1I 1210745508 GUUPIKLHXVPBTC-UHFFFAOYSA-N 436.293 4.828 30 10 IJEE CN([C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)Cc1cc(C#N)ccc1F 1211363293 HKYPONVAVBDGSO-UYAOXDASSA-N 440.462 4.814 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1 1215112732 UXUFNTYALAUVON-IYBDPMFKSA-N 431.458 4.622 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1234972212 QWYMIYSKSQQVOX-WKCHPHFGSA-N 443.588 4.571 30 10 IJEE COc1ccc(Cn2nnc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)c2C)cc1 1265068887 DZBFFJFAVGULKQ-UHFFFAOYSA-N 439.475 4.560 30 10 IJEE C#C[C@@H](NC(=O)C[C@H](C)CCc1ccc(I)cc1)c1ccccc1 1277181546 UZVVEGVSKHPJMH-OXQOHEQNSA-N 431.317 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(C)C 1286291619 DDNJAUZQYFWAHS-RTBURBONSA-N 431.625 4.533 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 1286302234 CDYDAQOKHBTBIO-QNWVGRARSA-N 447.652 4.689 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1c(CC)noc1C 1286450500 ICZGZCIDONKSJU-UHFFFAOYSA-N 435.572 4.656 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1csc([C@@H](C)OC)n1 1286528302 VYFKWVLCGXRPRG-KBMIEXCESA-N 449.624 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1286549627 GCQQIEFCPXYSTI-DOXZYTNZSA-N 434.371 4.971 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1COCC 1286569392 OHGSVCOGDBIOEM-UHFFFAOYSA-N 425.964 4.981 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cscn1 1286603267 QNFUVDXVDKMXRT-MRXNPFEDSA-N 443.642 4.817 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(C)C)CC1 1286607049 JSILNTFOEZEBGH-UHFFFAOYSA-N 434.588 4.596 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(SC)CCOCC2)CC1 1286637587 ICEPURFJSIEEPQ-OAQYLSRUSA-N 426.630 4.889 30 10 IJEE C=CCCCn1c(N2CCO[C@@H](c3cccc(Br)c3)C2)nnc1C(C)(C)C 1286704764 GBJYZEHLUXJNGN-GOSISDBHSA-N 433.394 4.882 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)cc2SC)C1 1286811609 FZJPZNNZOQURAZ-FQEVSTJZSA-N 440.638 4.790 30 10 IJEE N#C[C@H](CCc1ccccc1)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 1295581114 ABYMCELUEIHPCM-IBGZPJMESA-N 430.379 4.847 30 10 IJEE C=CCC[C@H](CO)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 1297803155 VIBASSBAFMOXMG-YGAHKIJPSA-N 427.429 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)ccc1OC(F)F 1300328488 KINQVBLONRENOB-YVWKXTFCSA-N 446.542 4.613 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1 1300585045 LXNPJVLMJYBHMM-ACRUOGEOSA-N 448.460 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H](C)SC 1300790734 VVRXOMLMDNBKFV-MHECFPHRSA-N 436.581 4.861 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1CC1(OC)CCC(C)CC1 1300924533 CRNQRMXEGCCWFC-UHFFFAOYSA-N 430.568 4.994 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@]2(CCOC2)C1 1301177338 YBYLRWPZNSJTTK-IBGZPJMESA-N 437.407 4.742 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1301258979 DJKXRMDNBQSLKE-AUSIDOKSSA-N 442.579 4.709 30 10 IJEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(Cl)=C(Cl)C1 1301259734 NGXIKOXSOGZIJU-UHFFFAOYSA-N 446.382 4.842 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCc1ccccn1 1301333801 BIYLVJFYCZTCKJ-UHFFFAOYSA-N 429.524 4.685 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1301391763 YJNNFPLIFQQCGE-SFHVURJKSA-N 447.370 4.701 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc(C)cc1OCC(F)(F)F 1301413181 QINVKFFFQFKGDX-UHFFFAOYSA-N 440.510 4.512 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1Cc1ccncc1Cl 1301413431 VOQOFPCSZWTJPZ-UHFFFAOYSA-N 439.972 4.855 30 10 IJEE C=CCn1c(SCC2(C(=O)OC)CCCC2)nc2sc3c(c2c1=O)CCCCC3 1307241460 RAMRDRIWFZUZNX-UHFFFAOYSA-N 432.611 4.738 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncccc2C)nc2scc(-c3ccccc3)c2c1=O 1307261565 VKUFJKMAOCRRPH-UHFFFAOYSA-N 448.573 4.745 30 10 IJEE C#C[C@H](N[C@H](C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1)[C@@H]1CCCO1 1307703149 ORFBLWGTCGSATN-PMVMPFDFSA-N 431.561 4.569 30 10 IJEE C#C[C@](C)(CC)NCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)cc1 1307781630 KQBQCFXWIRNGTO-XTEPFMGCSA-N 439.559 4.918 30 10 IJEE CC1(C)CCN(S(=O)(=O)c2cccc(Cl)c2C#N)c2cc(Br)ccc21 1309431976 ABEQALQJSZPTBU-UHFFFAOYSA-N 439.762 4.851 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccccc1-c1nncn1C(C)C)c1ccc(Br)cc1 1310385914 KEKUOZKRNIJTFZ-GOSISDBHSA-N 438.329 4.785 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C)c1ccccc1 1310944079 SXOYSMYVFYRRNH-FQEVSTJZSA-N 441.576 4.972 30 10 IJEE C=CCCSCCNC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 1312663681 FSWKNEVZWDUMKB-SFHVURJKSA-N 440.451 4.643 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(C)cc2Br)nnc1-c1ccco1 1348477672 ULYBXEKFJDARCB-UHFFFAOYSA-N 448.342 4.883 30 10 IJEE C=CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)c1nc(-c2ccccc2)cs1 1348497270 ORDMVGKESSHCER-SJLPKXTDSA-N 427.570 4.975 30 10 IJEE CCc1cccc(Oc2ccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cn2)c1 1350681715 HFCVWDTUCJDIFM-IBGZPJMESA-N 430.483 4.912 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(NC(C)=O)c1)c1ccc2c(c1)OCO2 1351622915 PLZNWWJFGHLBFI-UHFFFAOYSA-N 444.487 4.786 30 10 IJEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 1352634374 ABKPBFRCKMXJLN-IBGZPJMESA-N 425.410 4.861 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2csc(C(F)(F)F)c2)c(C(=O)OCC)c1C 1353746927 WNMRKDWMWXZUTF-UHFFFAOYSA-N 447.456 4.909 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc1 1356444242 SXLBHRGDVDWFDE-UHFFFAOYSA-N 430.891 4.694 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(F)cc(Cl)c2)c(C(=O)OCC)c1C 1357816143 BWRISQKKUGUASZ-UHFFFAOYSA-N 425.865 4.621 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC[C@@H](C)C1 1358874732 BYJOBWXWOALDDV-IFMALSPDSA-N 444.627 4.772 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1cccs1 1358969437 PFKSBRWGTGVZFC-SFHVURJKSA-N 438.984 4.871 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC1(C)CCCC1 1358988067 BEUIXWGWOWOBSQ-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCC1CCOCC1 1359000799 FDQSFXJMJDXKCS-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(F)(F)F)CC1 1359079339 GTSUYLFOIWKGKM-UHFFFAOYSA-N 433.272 4.924 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359101423 OCIAQGHYUYHMLT-GHTZIAJQSA-N 434.506 4.867 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CC=CCC1 1359104688 FCNSESIKVPXOBA-FWKCKQQBSA-N 442.648 4.970 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1359123478 PUGASUZBCROYGX-NRFANRHFSA-N 439.604 4.523 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1359157389 HTYRAIMKWBSNGK-NHCUHLMSSA-N 439.991 4.990 30 10 IJEE C=C1CCN(c2nnc(C3CCCC3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1359164046 CLDBHQWNABDYKP-ICSRJNTNSA-N 429.609 4.738 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)c2nc(C)cs2)CC1 1359180602 LEMSSULRSWEFNA-CQSZACIVSA-N 428.631 4.605 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1359219110 HGCLXNKGPFDSJC-UHFFFAOYSA-N 434.588 4.558 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1Cc2ccc(Br)cc2C1 1359226674 JZWVKUUKDUQRBK-UHFFFAOYSA-N 431.378 4.811 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1CC1(N2CCC(OC)CC2)CCCC1 1359271396 SWDVQAUPDJFQLC-UHFFFAOYSA-N 427.637 4.538 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 1360659606 JWQVHOJBYJFRGV-PNLZDCPESA-N 444.984 4.640 30 10 IJEE Cc1ccoc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(CCC#N)CC1CC1 1360957771 ATYZFKGYRHGDFH-UHFFFAOYSA-N 427.455 4.626 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccc(Cl)s2)cn1 1361271937 GFBNIHWUFJZXMZ-UHFFFAOYSA-N 434.956 4.920 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCCN1C(=O)OC(C)(C)C 1435353414 XDVHNQDMIDSYIC-BTYIYWSLSA-N 441.355 4.889 30 10 IJEE N#Cc1cccc(NC(=O)[C@H]2[C@H]3c4cc(Br)ccc4C[C@H]32)c1Br 1436895477 ATSFKHXBZNNSFI-VNQPRFMTSA-N 432.115 4.608 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccccc1 1439953987 KOXGSRXUGFICDQ-WENCNXQZSA-N 428.554 4.567 30 10 IJEE C[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)[C@H](CNC(=O)OC(C)(C)C)C1 1458490727 FTNQPCZCGOACCC-OCCSQVGLSA-N 426.330 4.589 30 10 IJEE CCCn1c(SCc2cc(C#N)ccc2OC)nc2ccc(Br)cc2c1=O 1458824373 GHQMDDZMWFTGJV-UHFFFAOYSA-N 444.354 4.742 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1465006634 BAOYNWWVJHCMSK-PGRDOPGGSA-N 433.618 4.896 30 10 IJEE O=C(NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)cc2cccnc12 1465422090 AVYFRVYSIVTVLJ-GOSISDBHSA-N 446.322 4.573 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 1466193600 BEXWMMFAQQJMQM-IBGZPJMESA-N 429.565 4.560 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCc2cccc(C(F)(F)F)c2C1 1470917057 BJQBSAMVBWOABF-UHFFFAOYSA-N 427.426 4.654 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H]1CCCN(c2ccccc2F)C1=O 1473140193 FPDANBKZPTWCMJ-FQEVSTJZSA-N 435.312 4.911 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 1478964177 JJPKSEXAZOTZSB-AZUAARDMSA-N 425.495 4.547 30 10 IJEE CCCN1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H](C)CC#N 1501040249 GQIKFFMEDOJORJ-BVSLBCMMSA-N 438.620 4.648 30 10 IJEE CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccoc1 1503512123 DDPSMWRJTGEMAC-UHFFFAOYSA-N 444.442 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)CC)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1507514313 COOASPUMRQGSMT-ROUUACIJSA-N 425.577 4.839 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(C)c(OC)c1 1507606801 XRXQJAJAMYSASF-KRWDZBQOSA-N 434.609 4.761 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@H]1CCC(F)(F)C1 1507684940 JVIGVFNJXPLIQV-QGZVFWFLSA-N 432.515 4.637 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCc1csc(CC)n1 1507697547 ATPBDDUEPQUDCS-UHFFFAOYSA-N 425.627 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCO1 1507765299 RHSYBPUXROOXAG-HCLVMJGWSA-N 428.964 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@](C)(O)[C@@H](C)CC 1507819946 WZCRSLSMOSPCPR-KKSFZXQISA-N 435.410 4.907 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1507892794 ZRLMEBAFZLEZNX-WOJBJXKFSA-N 442.629 4.941 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccc2OC(F)F)CC1 1507902554 YMZCIWNKQPSMTL-UHFFFAOYSA-N 439.510 4.510 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(Br)s2)CC1 1507910398 QORGOWCXKSGCEY-MRXNPFEDSA-N 437.407 4.599 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1507919210 MEYWRBCLFZWMRF-VXKWHMMOSA-N 438.616 4.939 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[C@H]2CCO[C@H](C)C2)C1 1508119013 ZBLNSUNNFXQVLO-CBJLPSGESA-N 438.616 4.807 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCS2)c1 1510704459 GERPEJSWQNKAGG-MOPGFXCFSA-N 427.618 4.923 30 10 IJEE Cc1ccc([C@@H]2OCCC[C@H]2Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)C#N)cc1 1510832432 CKPOAQZHDCHUEJ-UCFCWBNQSA-N 444.583 4.721 30 10 IJEE CCO[C@@H](CCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H](C)C#N)C(C)C 1516105685 HIFQSDSLENIYHZ-JPYJTQIMSA-N 434.588 4.849 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc(Br)ccc1Br 1516954353 FMFFLCLMWHFGOP-GFCCVEGCSA-N 436.147 4.578 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCC2(C)CC2)c1 1520414274 ULLVVXACCRWISE-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1523438113 BPRKKRDVSSWKOF-UUOWRZLLSA-N 448.007 4.771 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cccc(-n3cccc3)c2)c(C(=O)OCC)c1C 1524509547 PHCAEHWNEFJUPI-UHFFFAOYSA-N 438.505 4.619 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1524972018 UFDSBSCKCFESSI-FQEVSTJZSA-N 437.540 4.587 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)c1 1528137471 FQNWIIIECNOXEN-UHFFFAOYSA-N 438.911 4.788 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC 1529953734 RDSZRXWQUNWHMN-ZOBSEURRSA-N 434.580 4.785 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1Br 1531504948 PSMUQMCJCDITMX-UHFFFAOYSA-N 443.219 4.516 30 10 IJEE O=C(c1csc(-c2ncccc2F)n1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 1533070624 AUKXLHYZBWKEBL-PELKAZGASA-N 427.345 4.690 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1nn(-c2ccc(F)cc2)cc1Br 1534732097 URLNBIKONMRBET-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE CCOC(=O)c1c(NC(=O)c2cc(C)c(Br)c(Cl)c2)c(C#N)cn1CC 1536588695 ANHWXZQABAOADG-UHFFFAOYSA-N 438.709 4.533 30 10 IJEE C=CC(C)(C)CCCNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 1537467458 WDOUQRNEZQPMBA-UHFFFAOYSA-N 429.524 4.857 30 10 IJEE O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cnn(-c2ccc(F)cc2)n1 1539050602 HGYRHEKPHJOHIO-OAHLLOKOSA-N 433.283 4.886 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1539108793 DDWFBOPKDREQJG-SFHVURJKSA-N 437.956 4.523 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1539116650 MBEQLAUJMGTKFC-VXKWHMMOSA-N 442.991 4.537 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1539382974 VUHULEUEOHOTDU-UTKZUKDTSA-N 433.021 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CCc1ccc(OC)c(OC(F)F)c1 1539534757 YZHJUGVONPEERT-QMHKHESXSA-N 432.515 4.636 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCS[C@@H](CC)C1 1539579629 ARZDQWWYEJLGPD-HNNXBMFYSA-N 427.799 4.839 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(C)C)CC1 1539621889 BYSJPCWLDCXFTM-UGKGYDQZSA-N 444.023 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1cccc(C)c1 1539629998 COTFABIBNVEJCR-REWPJTCUSA-N 426.605 4.672 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1539693675 UAUHLTOHHGTYAN-RTWAWAEBSA-N 425.621 4.865 30 10 IJEE C=C(C)[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(CC)cc1)OCC 1539702968 SUEHPTFDBQXHQM-YADHBBJMSA-N 430.589 4.741 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(OC)CCC(C)CC2)CC1 1539835505 CRAQOPZNMRMPCU-UHFFFAOYSA-N 425.533 4.605 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)[C@H]1C 1539905718 FJUTYTIZXUNHCS-QGZVFWFLSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1539923534 CBZIGGSLUQGHNX-OAQYLSRUSA-N 434.588 4.555 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H]1CC 1540006410 SLZFHLYKVNCRQA-AZUAARDMSA-N 431.625 4.984 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCC1(C)C 1540191419 KTQUDSOIABOPFS-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE CC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1542016031 DQNCPCLYWKTNSV-FQEVSTJZSA-N 438.334 4.511 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 1543388384 GZVJWLYIRQGPDR-LBPRGKRZSA-N 432.405 4.579 30 10 IJEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H](C)c2ncc(C)s2)c1 1554998447 FWVPSOKEKUWFPB-INIZCTEOSA-N 436.585 4.652 30 10 IJEE C#CCN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1558369789 BIOBOCGKMADIHV-LJQANCHMSA-N 438.490 4.584 30 10 IJEE C=CCn1c(SCc2cnc(Br)c(C)c2)nnc1-c1ccc(OC)cc1 1559321366 OEUJBAABKPASMI-UHFFFAOYSA-N 431.359 4.898 30 10 IJEE C=CC[C@H](Sc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1CC)C(=O)OC 1559341437 QDMDTBFYESDKMY-HNNXBMFYSA-N 432.542 4.802 30 10 IJEE C=CCN(CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)Cc1ccccc1F 1559495422 FVUHLKVDXSYDFY-VWLOTQADSA-N 442.962 4.964 30 10 IJEE C=C(C)COCCNC(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 1562222130 POWDDDGOBMKATF-UHFFFAOYSA-N 429.948 4.717 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1562640403 MZLJTYXZMIFSPA-QFIPXVFZSA-N 428.467 4.750 30 10 IJEE C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(Cl)c2ccccc12 1564620934 HOFFZXNTURZNHI-ICSRJNTNSA-N 432.955 4.974 30 10 IJEE C=C[C@@H](C)ONC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1583409257 XSUWDHURZVBEMV-MRXNPFEDSA-N 430.570 4.638 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2cc(F)c(F)cc2Br)cc1OC 1586908222 SXLNKIBQGBNWKQ-FNORWQNLSA-N 438.268 4.630 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC(C)(C)c3ccc(Br)cc32)c(OC)c1 1587535927 LHIUOFKGBFCSIQ-UHFFFAOYSA-N 430.342 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCN1CCCC[C@H]1C 1587563116 XSXTXUBSLYQMCA-ZCNNSNEGSA-N 444.023 4.794 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1587926970 NXEUPQRNTCFJRI-IAGOWNOFSA-N 428.462 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccoc1C 1589570923 XKGQPJQEDXJDOU-URXFXBBRSA-N 436.556 4.685 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1593703652 LTSWYHDABSZOBC-UXHICEINSA-N 445.007 4.834 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1593758129 VLKXHXPHHKUUPG-DEOSSOPVSA-N 443.680 4.552 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1593931879 BIHAHLGQAAADGI-MAUKXSAKSA-N 439.412 4.982 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCCC[C@H]2CC)CC1 1594012975 AAEPZYBOJREOEM-RBBKRZOGSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[S@](=O)C(C)(C)C)CC1 1594014224 QKVGIKDAHVMUJG-QJWGWKRISA-N 444.645 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1594461282 PDJMDODSIVGAHD-UHFFFAOYSA-N 445.489 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2c2ccc(O)cc2)nnc1[C@]1(OCC)CCOC1 1594528285 HZEGFNSPUGBFGQ-BWKNWUBXSA-N 440.588 4.580 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1595116466 RZWILFJZBNWIFY-SFHVURJKSA-N 425.577 4.509 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CCC(=O)N1CCCCCC1 1595127230 JOOQBIAPHYDLRL-HXUWFJFHSA-N 441.595 4.916 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC[C@H]1CCO[C@@H](C)C1 1595141252 DHIVEXIRIYQYGP-CNNODRBYSA-N 428.552 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CCC(=O)NC1CCCCC1 1595143032 XZGMBUIKXPTCOJ-UHFFFAOYSA-N 429.634 4.669 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1 1595161801 MEGKCEZBPYFIBV-BGYRXZFFSA-N 445.677 4.620 30 10 IJEE C=CCN(CCOC)c1nnc(C2CCCC2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1595296443 FTOZKLREJBMWIA-IFMALSPDSA-N 443.661 4.719 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)nc1 1597902504 BYTDDXPJUKKRQS-UHFFFAOYSA-N 444.579 4.742 30 10 IJEE CC1(C)Cc2cc(/C(=N/NS(=O)(=O)c3ccccc3)c3ccc(Cl)cc3)ccc2O1 1616045864 CPFGONJBTMYQPU-YYDJUVGSSA-N 440.952 4.784 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1cnn(Cc2ccc(Cl)cc2)c1 1620862272 LDYAIOOWYJLHLX-UHFFFAOYSA-N 430.733 4.971 30 10 IJEE CC(C)c1ccc(CN2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)cc1 1623029002 CGHYVNVMYLRJHV-UHFFFAOYSA-N 428.483 4.633 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(OC)c(OCC)c1 1625539253 TXBUGXRUWJRWOC-UHFFFAOYSA-N 435.318 4.743 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](c3c[nH]c4cccc(F)c34)C(F)(F)F)CCO2)c1 1625854852 FPNDLYJMTKSQNP-AZUAARDMSA-N 446.404 4.565 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN([C@H](CC)c3ccc(F)cc3)CC2)cc1OC 1633870657 AITZENNODBTPKI-UJVXJIJDSA-N 438.543 4.708 30 10 IJEE C=C[C@@H](C)ONC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1636606955 NPBHTXOODDUZHK-FZKQIMNGSA-N 440.396 4.960 30 10 IJEE C=CC[C@@H](CO)CNC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 1637570709 BHSBTBYBQZANTQ-CYBMUJFWSA-N 436.364 4.822 30 10 IJEE CC#CCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC)c(OC)c1)CCC2 1637576151 KDKOCRHNASHCNY-KNTRCKAVSA-N 426.516 4.882 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CC(=O)OCC)c2ccccc21 1640462876 OGXHKIAWRDGIKG-UYAOXDASSA-N 444.572 4.710 30 10 IJEE C=CCN(C(=O)CN1C[C@H](C)O[C@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1642456777 FPYRNXLZQIWWBC-OKILXGFUSA-N 440.396 4.745 30 10 IJEE CC(C)(C#N)c1ccccc1CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1645177938 HRNDCXSHEBHIGS-JOCHJYFZSA-N 437.385 4.633 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3cc(Cl)cc(Cl)c3F)nnc12 1651566508 RUHWIGGDLMCOMW-UHFFFAOYSA-N 435.311 4.968 30 10 IJEE Cc1cccc(N(CCC#N)C(=O)CN2CCCN(c3cccc(Cl)c3C)CC2)c1C 1654440635 HXYPKFVUWGKUNE-UHFFFAOYSA-N 439.003 4.724 30 10 IJEE C#Cc1ccc(S(=O)(=O)NCc2ccc(Br)cc2Oc2ccccc2)cc1 1660197050 ZVQFIKKLIUYEPS-UHFFFAOYSA-N 442.334 4.701 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)c1ccccc1 1660979602 VUJIOVYACXZEIO-OAHLLOKOSA-N 432.261 4.511 30 10 IJEE COC(=O)c1ccc(CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(OC)c1 1668454364 DXVPJHCSQPJNLC-UHFFFAOYSA-N 445.475 4.510 30 10 IJEE C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](CNC(=O)OC(C)(C)C)C1 1668913228 FHEJTSJITSSYBF-CJNGLKHVSA-N 440.466 4.734 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)[C@@H]1CCCO1 1678956367 CLWRCGLVMLVHDP-ACRUOGEOSA-N 435.326 4.896 30 10 IJEE C#CC[C@H](NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)OC)cc23)CC1)c1ccccc1 1679190512 LHRHRXXXXJEMON-QHCPKHFHSA-N 429.520 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1683446277 AVVIALAYWUDWLI-DZFGPLHGSA-N 425.573 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)c1nccs1 1689835914 UZPQSMWAGZSTSY-XHSDSOJGSA-N 425.627 4.850 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)Cc1cccs1 1690098187 YVKTYYPSPKLWNZ-INIZCTEOSA-N 446.979 4.764 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCCN(C(C)(C)C)CC1 1690281248 CTUYEPISEDXAIU-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1690319831 ZXOLUXAHAGRPJO-JOCHJYFZSA-N 444.645 4.644 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C2(CCC2)C1 1690330179 CINAZPOTOHYPMN-ZDUSSCGKSA-N 438.801 4.815 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1690354688 XPXBXSCPFLIWOL-HXUWFJFHSA-N 439.412 4.983 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC2(COC)CCC2)CC1 1690369067 WZFDVFPEMQEWLJ-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2(COC)CCCC2)CC1 1690384624 ZCURSBSZQBBIDD-NHCUHLMSSA-N 430.637 4.950 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCc2ccn(C)n2)CC1 1690415314 HGOFRYUJHWCWKI-UHFFFAOYSA-N 448.615 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccccc2F)C1 1690436451 RYYMTZRAFCXROD-QFIPXVFZSA-N 435.547 4.583 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690475449 RWDXVWUAEGSIIY-KRWDZBQOSA-N 443.617 4.519 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cc(Br)cs1 1690520965 KXMMAMRRYHSSSU-UHFFFAOYSA-N 440.370 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCc1ccc(C)c(OC)c1 1690577536 JASDEDNABMJYIN-FQEVSTJZSA-N 438.597 4.596 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@](C)(O)c1ccco1 1690580069 YXLNFCBXOMBPRD-QFIPXVFZSA-N 440.594 4.685 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC(F)(F)C1 1690603561 DMXHOLHJYCLAOB-OAQYLSRUSA-N 437.538 4.934 30 10 IJEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CC(C)C)CC2)cc1C 1693136684 DKGHCOVNGGJFMU-DEOSSOPVSA-N 425.552 4.742 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1csc(C(C)(C)C)n1 1705488746 FOESFMCCFFRTRX-INIZCTEOSA-N 432.597 4.881 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1ccc(C)cc1 1705577215 XRACUEUROIBRSW-FQEVSTJZSA-N 428.605 4.755 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC[C@H](OCC)C(C)C 1705606159 MTSHPOITSSSRHQ-IBGZPJMESA-N 433.394 4.618 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(CC)CCCC1 1705622927 ZZTPPQQVBUPBPM-UHFFFAOYSA-N 431.584 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCn1cc(Cl)cn1 1705714025 BHBHGQLTBGEUBX-UHFFFAOYSA-N 437.935 4.553 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCC2CCOCC2)CC1 1705766302 VXVJGYKMQTUWJX-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(F)cccc2SC)CC1 1705770375 BVVDITQKZNMSCH-UHFFFAOYSA-N 429.590 4.700 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(OC)CCCCC2)CC1 1705785764 VOOIBWRYSRQXAD-NHCUHLMSSA-N 430.637 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705789146 ZUFBAXKVACCHPJ-UHFFFAOYSA-N 432.528 4.734 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705792444 UAVAYCHJGYMDSW-LEWJYISDSA-N 440.588 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705792545 VPLZEHITNZAUIP-GOSISDBHSA-N 442.604 4.540 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705803940 JCDKIMKSSZVUIG-UHFFFAOYSA-N 440.592 4.532 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C)C1 1705809350 ORHHDRNRNDIJEY-HNNXBMFYSA-N 425.360 4.745 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C)CCCC2)cc1 1710533746 FDNPQGJCOWFCLP-RBUKOAKNSA-N 425.577 4.993 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccc(Cl)s1 1722278249 PFHYCLAYTPQDMB-ZDUSSCGKSA-N 436.915 4.962 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1722320571 CEEOMCQUEIYOPU-UHFFFAOYSA-N 432.490 4.976 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCS[C@H](CC)C1 1722503470 LHUWHUNOOYSHEQ-AKFKNWHVSA-N 440.657 4.766 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1722521079 DBPHEXWJTUAUJJ-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccsc2Br)CC1 1722567127 LNGOETYHVPSRIE-UHFFFAOYSA-N 435.416 4.959 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722592481 VZWIQJMCUPOURQ-SFHVURJKSA-N 428.581 4.622 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)c2ccccc2)CC1 1722605965 ZSLYXJXONAPLAV-UHFFFAOYSA-N 430.600 4.725 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1CCc1cn2ccccc2n1 1722658770 LCDYYPZPLQQBSE-UHFFFAOYSA-N 428.584 4.950 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@H](C(C)C)N1CCCC1 1722661849 BRIYDMMIAIERGH-LEWJYISDSA-N 429.634 4.504 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCSc2ccc(C)cc2)C1 1722721522 UBRNQKLGNPFHDE-HXUWFJFHSA-N 440.638 4.812 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC=C(C)C2)cc1 1722732682 RNNSNONAEODSFW-DHIUTWEWSA-N 436.600 4.966 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)S[C@H](C)C1 1722742654 BBUUTQGYVGQURG-KDURUIRLSA-N 432.659 4.723 30 10 IJEE Cc1oc2ccccc2c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C#N 1724145331 AGHMHHALLYREGA-ZWDAVXSWSA-N 435.572 4.896 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCO[C@@H]1CCCC[C@H]1C 1740558669 GQTNCFTTXJYUQG-HSALFYBXSA-N 442.629 4.632 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1740581052 OCLHJJZGDUPUDP-YYWHXJBOSA-N 428.552 4.610 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](OCC(C)C)C1 1740582516 OJPDQEKCOSEBRV-FQEVSTJZSA-N 426.630 4.940 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCOC1CCCCCC1 1740658678 MEKFXZIOUNBOGK-UHFFFAOYSA-N 448.611 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCCS1 1740724363 AQJJYHLMPWAEON-UTSGNWPNSA-N 440.613 4.705 30 10 IJEE C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCN(C(=O)C(C)C)CC1 1740778119 IITNLUNVPVNHBS-UHFFFAOYSA-N 444.004 4.694 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1740819886 IUDSOYKHIRWXBZ-UHFFFAOYSA-N 435.616 4.705 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2oc(CC)nc2C)CC1 1740820102 QSARJFNDMBAWER-UHFFFAOYSA-N 448.390 4.833 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CC=CCO2)CC1 1740841882 DGZNBBSKSZJFAZ-LJQANCHMSA-N 431.005 4.971 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1740897226 ZNILZZNKEXQPMX-GMAHTHKFSA-N 430.600 4.571 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@]1(C)CCCS1 1740916012 AQALUJPRWUKVKP-QPPBQGQZSA-N 437.613 4.870 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCc2ccc(Cl)s2)C1 1740982607 XWBVXEHTFFVVKH-KRWDZBQOSA-N 446.979 4.747 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740998380 NZLUFPNIBDMHHQ-IBGZPJMESA-N 443.020 4.765 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCO[C@H](C)C1 1742949407 AJADQAXOVRXGDQ-WSTZPKSXSA-N 441.551 4.502 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](OCC(C)C)C2)CCC1 1744312856 HVYQVCDJYKQCRM-QFIPXVFZSA-N 437.588 4.560 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](c2ccco2)C1 1748738631 KVNDUHJITYIUNN-IBGZPJMESA-N 431.323 4.836 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)c1cccc(C)c1 1748803407 UEWMIHZUWKSNLO-FPOVZHCZSA-N 437.588 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1C 1748882267 MXKVHFCFADJDDD-IBGZPJMESA-N 428.605 4.951 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@H]1C(C)C 1748908146 ULUOLVYQJCJYJK-UEXGIBASSA-N 430.980 4.592 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCSC1(C)C 1748912987 NLEFWWXZOZCCBH-INIZCTEOSA-N 433.419 4.699 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccncc1Cl 1748939352 ZNFUJEDMQBRYCU-UHFFFAOYSA-N 432.380 4.780 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(F)(F)C1 1749257046 HODCKDWFHVTCAI-UHFFFAOYSA-N 438.103 4.959 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OCC)C1 1749358886 RPCNWZKQCVJQSK-JOCHJYFZSA-N 434.588 4.738 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1749419570 KUZVHNNMYMUZIK-QFIPXVFZSA-N 437.975 4.910 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)OC1CCCC1 1749420279 CNEROTXIUKMJLX-UHFFFAOYSA-N 435.366 4.993 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCC(C)CC2)nc1 1749473834 FWSZSQOLRHOECK-UHFFFAOYSA-N 430.600 4.809 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 1749508270 MWYFVPHQPDGVNC-NJNPRVFISA-N 426.536 4.693 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCS1 1749529963 QCMWVVSLHOZRHR-NHCUHLMSSA-N 428.602 4.617 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@@H]1C 1749530157 SZXBOMBTZVHAFP-RXFWQSSRSA-N 438.616 4.763 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCc1nc(C)c(C)s1 1749539196 WAJCVBVOGSFXGK-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1749563291 BAKQRTUFTLKYPO-UHFFFAOYSA-N 439.567 4.623 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](CC)Oc2ccccc2F)C1 1749701562 WKCSIGQKTYDTSO-RBUKOAKNSA-N 440.519 4.625 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1751064850 CGGDHFCWPFRMDY-YYFZDKIDSA-N 438.334 4.823 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCSC2)C1 1760131446 SKHZFVWLAMCDRN-FDDCHVKYSA-N 428.577 4.694 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760134147 BIOBAVLLCHQXDR-GOSISDBHSA-N 438.963 4.553 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](OCC)C1 1760158962 WHBVVUBFZHOLSO-KRWDZBQOSA-N 437.371 4.583 30 10 IJEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H](C)c1cccs1 1760274025 GWZKCYRGZNOULK-MRXNPFEDSA-N 442.610 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCc1ccc(Cl)s1 1760295750 GVBUIFZBGXRNIT-HSZRJFAPSA-N 441.000 4.827 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)c1nccs1 1760298866 XZTOGSVDDDKNCI-NTKDMRAZSA-N 435.597 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1nc2cccc(Cl)c2n1C 1760339859 ZEVKWFDWKBOLML-UHFFFAOYSA-N 441.004 4.921 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1760392441 QDEDGIZIZBGJTH-NFBKMPQASA-N 437.632 4.751 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCc2ccccc2F)CC1 1760411485 AKTFAAOKMYFLME-HXUWFJFHSA-N 442.579 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1760413475 JLLKAEBAMAPIPB-OAQYLSRUSA-N 436.579 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760413782 UGRSCPUOLXFVGX-OAQYLSRUSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1760422093 AINXWZCNXNUMPA-UHFFFAOYSA-N 431.588 4.735 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N(C)Cc1cc(C)on1 1760424920 ZQYDLOWWLRKSBW-UHFFFAOYSA-N 430.350 4.997 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760434530 DRRMIWOQLYUWTC-QGZVFWFLSA-N 448.398 4.809 30 10 IJEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1760446640 YEGNBYWOLOUHEX-HXUWFJFHSA-N 437.500 4.689 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)c(OC(F)F)c1)C1CC1 1760471901 NBHJXYDKBNTEIU-UHFFFAOYSA-N 430.455 4.660 30 10 IJEE CC(C)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761063495 OJQQLNVKYBFRGC-UHFFFAOYSA-N 436.947 4.570 30 10 IJEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)CCO1 1765245499 ACIAURGFJSCKTL-ICSRJNTNSA-N 429.515 4.648 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=Nc1cccnc1Cl 1772736639 ZALWNNMSJJMJCI-DHTRNYPVSA-N 429.929 4.932 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccnc1NC(=O)Nc1ccccc1C#N 1858838566 KYSSWUDOQZUCOI-OAHLLOKOSA-N 449.898 4.965 30 10 IJEE CCOc1ccc(NC(=O)C(=O)/C=C/c2ccc(F)c(Br)c2)cc1OCC 1860726672 ZRBDCQRYFOIQHF-RMKNXTFCSA-N 436.277 4.607 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(N(C)C)cc1 1862414689 GGCMCQXYXAHJTD-OAQYLSRUSA-N 428.479 4.799 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862559378 NCFMFHNCQKGFDV-FQQGMQMYSA-N 434.536 4.825 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(Cl)cc1Cl 1862577992 BVLWJDJEYKNVSC-LJQANCHMSA-N 448.302 4.775 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2)cc1 1862589127 FKIXQCLASXFXBG-WAIKUNEKSA-N 429.472 4.740 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@H](C)CC)cc1OCC 1862602196 WSKHBNTUBQVFBR-IVZQSRNASA-N 439.508 4.566 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2[C@@H]2CCCC[C@H]2C)c1 1862604449 DOJYJXNPXNRGNQ-WSCWJOSJSA-N 447.531 4.923 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)cc1 1862627677 PUERBOFLKCWPFI-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 1862697024 ZJXOVJKXFQTKIL-SBUREZEXSA-N 436.552 4.918 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2CCN(C)C)c1 1862722262 ORXDZFKIBQKIKL-RUZDIDTESA-N 440.543 4.802 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1Cl 1862725788 RWQUPOLWFVIPJJ-QMHKHESXSA-N 447.918 4.966 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1cccc(Cl)c1 1864115533 YMMHRILUXXOYRK-LJQANCHMSA-N 448.954 4.610 30 10 IJEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)c1ccccc1NC(=O)c1ccccc1 1866045550 HFXYRADEBNIJEB-UHFFFAOYSA-N 439.450 4.602 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccccc2Cl)n1 1870003468 AAQKHNJNUCKYET-UHFFFAOYSA-N 442.350 4.934 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1ccccc1C 1871186859 KJFKLWVOLVJXQX-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE CCCCCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O 1871426924 DTAFQFHKJUGOAW-XKZIYDEJSA-N 440.492 4.741 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCc4nc(O)c5ccccc5n4)cc(C)c3C2=O)c1 1871431407 XWTIPBKKNWKZNW-UUYOSTAYSA-N 440.455 4.848 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1C 1871762184 VZPVIJXBUAKGEV-JOCHJYFZSA-N 428.598 4.842 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OC)cc1)[C@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872040305 LPZAWGQPDDKJKO-JPYJTQIMSA-N 444.597 4.542 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 1872260983 UDYKCEVGXNTTIP-QGZVFWFLSA-N 444.981 4.771 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1cccs1 1872432919 CABSLNKLHFCEFQ-QGZVFWFLSA-N 426.991 4.694 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872547833 UUBJSJRHEZJNNY-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE COc1cc(Cl)c(C)cc1-c1csc([C@@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 1872786259 GENNRGOWLOGPCV-ZFWWWQNUSA-N 445.972 4.604 30 10 IJEE CCCCCOc1ccc(/C=N/Nc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)cc1 1873525490 GXBXHEJYWLZMLY-MFKUBSTISA-N 440.931 4.910 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(NCc3ccncc3)ncnc21 1873618402 NTCPJGZVFVEVTK-UHFFFAOYSA-N 436.878 4.669 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(CC)c([N+](=O)[O-])c1)n2CCC 1873656765 LITGMKRRCVZWGQ-UHFFFAOYSA-N 448.527 4.743 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2/N=C/c2cccs2)c(C(C)(C)C)c1 1874202861 CTJLEFJDEREPKJ-OEAKJJBVSA-N 444.626 4.881 30 10 IJEE COC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874409010 AROJUMVDXMWRAD-SSDVNMTOSA-N 441.384 4.855 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2cccn2C)c1 1874426324 CHDBYWVROVYLHK-MFKUBSTISA-N 444.564 4.513 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874431664 XFEXHOPUWUBHIU-VULFUBBASA-N 435.597 4.695 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccnc1 1874454501 HHFAOEGGYQBDQP-AFUMVMLFSA-N 434.569 4.561 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccc(C)cc3)nnc2-c2ccco2)cc1 1874464204 WVOUYOLYQBUINH-ZVHZXABRSA-N 432.505 4.808 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(Cl)c(Cl)c1 1874481339 SOQKEPHWGHWNRT-SSDVNMTOSA-N 442.416 4.725 30 10 IJEE CCCCCOc1c(Br)cc(/C=N/n2cnnc2SCC)cc1OC 1874537407 BRHVSZMMYVRIQJ-RGVLZGJSSA-N 427.368 4.612 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc1OCC 1874626515 IRWBXOFASPRLNJ-DHZHZOJOSA-N 426.509 4.939 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccccc1OC 1874706620 QUJXPHKUHVRMMO-JXMROGBWSA-N 446.455 4.590 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CCCSC)c(OC)c2)cc1 1875112847 QYSRWRLIOYBRTO-KPKJPENVSA-N 430.522 4.657 30 10 IJEE CN[C@H](CC#CCOC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875686125 JKVCRVQWPPCSDA-LEAFIULHSA-N 445.559 4.506 30 10 IJEE N#Cc1cccc(N2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CC2)c1 1891073305 FPECAMQVQFUHKK-UHFFFAOYSA-N 430.558 4.859 30 10 IJEE C=C([C@H](O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[Si](C)(C)C 1922977432 IBCOOMNUJLLFHM-OAQYLSRUSA-N 432.681 4.731 30 10 IJEE C=C(Br)CCNc1cc(I)ccc1Br 1956013755 VEWXEWLGWTVJHY-UHFFFAOYSA-N 430.909 4.764 30 10 IJEE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCB1OC(C)(C)C(C)(C)O1 1977838269 IDXAREHQAXXISX-FGZHOGPDSA-N 444.425 4.980 30 10 IJEE C#CC[C@@H](C)C[C@@H](NCC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2020077866 IRSIDONQVYQPPM-FYYLOGMGSA-N 427.633 4.574 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c(Cl)c1F 2041205682 YYYGUUODFVEHNG-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(CCCB2OC(C)(C)C(C)(C)O2)C1 2044530144 DNVYCGQKURVALJ-SFHVURJKSA-N 430.398 4.672 30 10 IJEE CCc1nn(-c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1I 2078844428 SGFZCDKVPNKRPN-UHFFFAOYSA-N 438.084 4.615 30 10 IJEE Cc1cc(C)c(C#N)c(NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)n1 2130842953 GARARVXOAAEPOQ-UHFFFAOYSA-N 449.599 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)[C@H]2CCCC[C@@H]21 2174562214 KUQSHTVXLGTFIP-OALUTQOASA-N 434.378 4.685 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2C#N)C1 2181054003 RRBBWKZOOJDBOO-KGLIPLIRSA-N 436.350 4.590 30 10 IJEE CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(C#N)cc1Br 2181056599 VSQYBUURQSVMQZ-UHFFFAOYSA-N 438.366 4.980 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)cc(OC)c1 2201014198 KUGWSZCSBVKJKR-MOPGFXCFSA-N 439.394 4.805 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)cc(OC)c1 2201014200 KUGWSZCSBVKJKR-RBUKOAKNSA-N 439.394 4.805 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1CC1CC1 2233309551 YOQLIEWTTKLUAV-QAPCUYQASA-N 441.414 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]([C@@H](N)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235745645 DQINBTNOQWVHCD-AVRDEDQJSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)[C@@]2(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 2249346697 FNDVHSRMQQPZCM-PVGDPBLGSA-N 447.498 4.761 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@H](CCC)CNC(=O)OC(C)(C)C 2252013985 YRHUYUKSEVMPIC-IRLDBZIGSA-N 435.561 4.560 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@]34CCC[C@H]3CCN4Cc3ccccc3)CCC2)OC1(C)C 2267506362 WVAKHTHCPCMZLB-HFZDXXHNSA-N 438.421 4.564 30 10 IJEE C=CCCC1([C@@H](NCC)c2cc(Br)nn2CC)CN(C(=O)OC(C)(C)C)C1 2281043426 XNDRZUXAWBOMCE-KRWDZBQOSA-N 441.414 4.519 30 10 IJEE Cc1sc(C(=O)NCc2cc(Cl)sc2Cl)cc1B1OC(C)(C)C(C)(C)O1 2281957032 GQYRRAMFHQBIEE-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)ccc1OCC#N 2293987246 VLNJDKOHOAXGFP-UHFFFAOYSA-N 427.913 4.841 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@H](O)C#Cc2ccc(Br)cc2)c1 2296278862 ISXAGLVMBIGHRA-HXUWFJFHSA-N 430.342 4.601 30 10 IJEE CCc1ccc([C@@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 2296936134 BNKGMXORMSBJJE-PZJWPPBQSA-N 425.912 4.503 30 10 IJEE N#CCOc1ccc(Br)cc1C=C1SC(=Nc2ccc(Cl)cc2)NC1=O 2297104448 XITMCLJJMLTSDT-UHFFFAOYSA-N 448.729 4.896 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2319210975 AKNNZAHDBJUDRL-FUDKSRODSA-N 447.572 4.703 30 10 IJEE Cc1ccc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2319748564 KHVDGEANDAQOCM-QGZVFWFLSA-N 430.354 4.650 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccco1)O3)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 2322234455 WCNBZOMEWQEOET-LJQANCHMSA-N 437.879 4.743 30 10 IJEE CCOc1c(C=Nn2c(S)nnc2CCCOc2ccccc2Cl)cccc1OC 2322234871 QHZSGDZEEYMOKR-UHFFFAOYSA-N 446.960 4.521 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2323126347 ZFZNYQJJSYIGEF-UHFFFAOYSA-N 430.456 4.913 30 10 IJEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc(OC)cc2OC)c1Br 2323283331 VVROMNISJWGLTG-UHFFFAOYSA-N 433.298 4.936 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OCCc1ccccc1 2324082620 UNOCDWSUPHEZTA-UHFFFAOYSA-N 432.472 4.950 30 10 IJEE COc1cc(C=CC(=O)c2ccc(F)cc2)cc(OC)c1OCC(=O)Nc1ccccc1 2324184648 DESZDVLANLWIJQ-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCn1cc(C=C2Oc3cc(OCC(=O)OCC(C)C)ccc3C2=O)c2cc(OC)ccc21 2325068471 QZCBTLPFQRNVMH-UHFFFAOYSA-N 449.503 4.864 30 10 IJEE Cc1cc(OCC(=O)OCC(C)C)cc2c1C(=O)C(=Cc1ccc(Br)cc1)O2 2325068473 RUQJPGRYPIDGJE-UHFFFAOYSA-N 445.309 4.952 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O[C@H](C)C(=O)Nc4ccc(C#N)cc4)c3C)C2=O)o1 2325306909 MBAQRNVAFBIVTN-MRXNPFEDSA-N 428.444 4.790 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)cc1 2325731654 WJPPLSIDSZQPKU-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 2326570082 OKOFPDAXHAZHCW-UHFFFAOYSA-N 449.895 4.724 30 10 IJEE COc1cccc(CCc2nnc(SC)n2N=Cc2cc(Br)ccc2F)c1 2328598798 FKWTYYQRZLXKLD-UHFFFAOYSA-N 449.349 4.578 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(Cl)cc1 2331364433 DFJMDKUQCWJQPH-UHFFFAOYSA-N 445.951 4.981 30 10 IJEE C=CC[C@H](Oc1cc(Br)nc(C(C)(C)C)n1)[C@@H]1CCN1C(=O)OC(C)(C)C 2360899246 UUJVUPCMCDYLTA-KBPBESRZSA-N 440.382 4.870 30 10 IJEE CC[C@@H](NCCc1cnn(Cc2ccccc2)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839845 YIJAUKASUWQQJD-RUZDIDTESA-N 445.416 4.514 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@H](N)C#Cc2cccc(Br)c2)C1(C)C 2370145310 PUSGSFACNKVLHZ-QXAKKESOSA-N 435.406 4.848 30 10 IJEE COc1cccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 13319778 WHTGMCUSFQBFFU-HSZRJFAPSA-N 431.536 4.641 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccc(F)c(Cl)c2)NCc2ccccc2)n1 14156607 KOENXBCBVQLUQA-UHFFFAOYSA-N 442.951 4.841 30 10 IJEE CCCCCn1c(O)c(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O 40522560 XLIHEZMTYVEIEL-ZDUSSCGKSA-N 437.323 4.881 30 10 IJEE CCOc1ccc(C(=O)/N=C(\NCc2cccnc2)Nc2ccc(OC)c(Cl)c2)cc1 46128033 DHXXINWEENOCMI-UHFFFAOYSA-N 438.915 4.540 30 10 IJEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 102594589 VCDMBBYQXKOFMV-UGUGFTGJSA-N 447.462 4.859 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1 106015934 IQQQMNVTYNJEAU-UHFFFAOYSA-N 448.479 4.636 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccccc2C)cc1 169926715 BOYNDFFWQKWRQI-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 169956525 MNVSZSSDEIUHMQ-QFIPXVFZSA-N 447.922 4.580 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(O)cc2)c1 169960750 CDRPGAKCWMFKKA-FQEVSTJZSA-N 434.517 4.865 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 170027724 PHQJQEBUTYWPBX-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccc(OCC(C)C)c1 170040235 GSJUXVUUDANUNB-HSZRJFAPSA-N 437.536 4.563 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2c[nH]c3ccccc23)c1 170076044 CHUKGOUUYUDJGV-SBUREZEXSA-N 430.504 4.542 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCO2 170081168 HYLLHCRHPNDOIZ-NRFANRHFSA-N 449.846 4.557 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1cccc2ccccc12 170134365 YGROZBWRYIBURE-HSZRJFAPSA-N 425.440 4.917 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccs2)cc1 170154339 RXWQGMVCYUCMEW-LJQANCHMSA-N 425.531 4.987 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)cc1C 170166413 KDAJFAPYMUODAP-NRFANRHFSA-N 443.565 4.767 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccn2)cc1C 170172192 BAFHQIQXGKGFHY-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3cccnc3)oc12 170183315 BPIVKLNUNORDSV-FQEVSTJZSA-N 446.484 4.676 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2)cc1C 170228621 DNDFXJUSEXAHEZ-DEOSSOPVSA-N 438.483 4.967 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccc(Cl)cc1 170236113 HXHNSSYKJHCZOS-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1cccc2ccccc12 170240702 GNJJMMBVGLQXKZ-XXBNENTESA-N 431.463 4.736 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1C 170270337 DRSNNMFBGUKHHB-FQEVSTJZSA-N 425.868 4.619 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccco2)ccc1OC(C)C 170283746 XTLUQRWFPMVNDH-JOCHJYFZSA-N 433.460 4.864 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1C[C@@H]1CCCO1 170315965 HFSZICJZLXXXPR-ICSRJNTNSA-N 441.549 4.601 30 10 IJEE CCOc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1Cl 252639687 YMONWIKZZZCLON-UHFFFAOYSA-N 444.940 4.630 30 10 IJEE N#CC(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 254516499 GGDZENSMYBGDSA-UHFFFAOYSA-N 427.351 4.509 30 10 IJEE Cc1cc(C)n(-c2ccc(CNC(=O)NCC3CCC(C#N)CC3)c(C(F)(F)F)c2)n1 440988088 QKLRYGUOZUBRIL-UHFFFAOYSA-N 433.478 4.637 30 10 IJEE CC1(C#N)CCN(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 508350223 PNUVTWZQRHKRKI-NRFANRHFSA-N 425.916 4.536 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 508841737 TZHDEQUFWBLKQF-MRXNPFEDSA-N 449.521 4.527 30 10 IJEE N#Cc1c(NC(=O)C[S@](=O)C(c2ccccc2)c2ccccc2)sc2c1CCCC2 526894377 XNXGCSNTWKNKIB-PMERELPUSA-N 434.586 4.975 30 10 IJEE COc1ccc([C@H](C)NC2CCC(Oc3ncccc3C#N)CC2)c(Br)c1 527100417 GQCYZSILANRKQN-OOHWJJMZSA-N 430.346 4.765 30 10 IJEE C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 548938164 BWKMZPACYNACSN-LJQANCHMSA-N 431.584 4.661 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 549685260 HXXMQXGDIZJNLU-GMAHTHKFSA-N 433.604 4.521 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(Oc2ccnc(C#N)c2)cc1 574492633 BCHOAHPXNMBOOC-SFHVURJKSA-N 441.491 4.501 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 579410714 UCNQIPFDJYGMFU-QFIPXVFZSA-N 439.567 4.519 30 10 IJEE CN(C)c1ccc(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccccc2Cl)cc1 586225681 IPYLQKGEWKJPDV-UHFFFAOYSA-N 425.941 4.673 30 10 IJEE CN[C@H](CC#CC(C)(C)C)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 708539476 IZVPZHGDZGUPTD-RTBURBONSA-N 437.422 4.913 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](C#N)c1ncc(I)s1 710782505 IUKSNICIBSGCOE-LBPRGKRZSA-N 441.294 4.754 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 744839145 HDRHMHXFLHYDDI-DJJJIMSYSA-N 435.307 4.839 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN(CCc2nccs2)C(C)C)c1=S 753987815 VYYQKZCZRNPRIV-UHFFFAOYSA-N 429.615 4.643 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2cnc3ccccc32)nc1 775225935 CNOJMJOMJFNIIB-FQEVSTJZSA-N 437.503 4.506 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(N(C)c2ccccc2)nc1 779197386 SIEWTWAQGUUVDT-QFIPXVFZSA-N 426.520 4.935 30 10 IJEE COc1ccccc1[C@@H]1[C@H](C(=O)N2CCC(C)(C#N)CC2)CCC(=O)N1c1ccc(C)cc1 780780622 XBDIJEXNRLKCQT-RCZVLFRGSA-N 445.563 4.640 30 10 IJEE N#Cc1ccc(C(=O)/C=C\c2cc(Br)c(O)c(Br)c2)c(F)c1 781108364 POXKUSJRGNCMND-RQOWECAXSA-N 425.051 4.824 30 10 IJEE Cc1cc(Br)c(O)c(C=Nn2c(S)nnc2CSc2ccccc2)c1 782242059 XRNREDFLNHUTKF-UHFFFAOYSA-N 435.372 4.518 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2sc(C(C)C)nc2C)c(C(=O)OCC)c1C 915279141 RNVDARBOBVAEJA-UHFFFAOYSA-N 436.555 4.717 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCC)cc2)SC1=Nc1ccc(Cl)cc1 1084453960 SBNRGOKAJMLYKU-LJQANCHMSA-N 443.956 4.885 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1124713412 ARNFJMYWOXVMIB-RBUKOAKNSA-N 440.569 4.628 30 10 IJEE C=C(C)[C@@H](NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)c1ccc(F)c(F)c1 1128248320 ABQARJCBOUPDPB-LJQANCHMSA-N 443.519 4.818 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 1128495361 MAVYLSYUJVHLFY-HXUWFJFHSA-N 427.342 4.811 30 10 IJEE C#C[C@H](NC(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1)c1ccc(Cl)cc1F 1129615915 JJVAARUWQLPIMA-INIZCTEOSA-N 430.888 4.724 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@H]2Cc2ccccc2Br)c(OC)c1 1130055045 CGIFVOIRPQIMDT-IBGZPJMESA-N 444.369 4.799 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 1130165393 BQQCTBJNJKCZDJ-GOEBONIOSA-N 449.860 4.653 30 10 IJEE C=C1CCC(CNC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CC1 1133544308 VEIHBLBBKWEHBY-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O)c1ccncc1 1136820099 LXPMECYGCMMVFP-HNNXBMFYSA-N 436.821 4.692 30 10 IJEE C#C[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccc(Br)cc1 1141461043 MUHYMJVNBDWILZ-CQSZACIVSA-N 432.115 4.797 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 1141726521 PSEQFLMCBXFEBN-QAPCUYQASA-N 439.394 4.746 30 10 IJEE C#CCN(C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1155366621 BTGRCYCERLRLSY-AZUAARDMSA-N 448.966 4.834 30 10 IJEE CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cc(C#N)c3ccsc3c2=O)cs1 1166667069 RZRWQKNLXSHHKN-UHFFFAOYSA-N 434.546 4.741 30 10 IJEE C=CCN(CCc1ccccc1)CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 1167273694 PMTVCHMPFRAMSU-SFHVURJKSA-N 440.609 4.719 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 1223848260 LKGCTWRXSIMLHS-RTBURBONSA-N 425.529 4.825 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1)c1ccccc1 1224521683 IHCGNWKNLLMMEG-FGZHOGPDSA-N 425.960 4.951 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1251603064 UMEBRDCVPYHYHN-HXUWFJFHSA-N 447.624 4.589 30 10 IJEE C=CCCCCCCCCNC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O 1251608407 AZUQMTCIRCRMHG-LJQANCHMSA-N 436.394 4.918 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2ccc(F)c(F)c2)CC1)c1ccc(Br)cc1 1252459805 XWIOAGCSXXXAMU-FQEVSTJZSA-N 433.296 4.991 30 10 IJEE C=C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)c1ccccc1 1264674804 JEERSJNCACCLBR-HGFVNXKRSA-N 439.581 4.578 30 10 IJEE C#Cc1cccc(N(C(=O)c2cc(I)c(F)cc2F)C(C)C)c1 1264942905 KXHDHSUDULMDKB-UHFFFAOYSA-N 425.216 4.606 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)Nc3ncc(F)cc3Br)c2)c1 1279076666 BXHWIUWIOHOUPQ-UHFFFAOYSA-N 426.245 4.686 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@H](C)C1 1286316108 GSKJSDIMJRQWSZ-MRXNPFEDSA-N 433.419 4.761 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1oc(CC)nc1C 1286368413 KVOWEPRECJULGI-UHFFFAOYSA-N 435.528 4.789 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1OCCC1(C)C 1286437966 SUIGRGQXJJJRAP-IBGZPJMESA-N 435.597 4.652 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCN1C1CCCCC1 1286447398 QSEBJAQUWNUZQN-QHCPKHFHSA-N 440.035 4.779 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC(C)(C)C 1286498510 IZNBGEFJLZIDRR-UHFFFAOYSA-N 435.435 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(C)C 1286517963 XCJMDRXLNGMQJM-XMMPIXPASA-N 442.007 4.536 30 10 IJEE C=CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H]2C[C@H]1CO2 1286703209 FGHOILQAAGKKIG-PMACEKPBSA-N 430.980 4.585 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1noc2c1CCCC2 1286753686 GXYJGUAAPMCAOR-QGZVFWFLSA-N 437.519 4.651 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)Oc1ccc(C)cc1 1300441358 LVHWCSQEWLWBAG-OAHLLOKOSA-N 445.386 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC[C@@](C)(CC)O1 1300817234 DQHFTOLYAYLQBY-ZYAKCHBASA-N 428.621 4.537 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1301166307 UAESXWCZBAHREQ-JOCHJYFZSA-N 426.568 4.754 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCO[C@@H]1C(C)C 1301350918 DIOQVWWLKSXAMX-MQSCRBSSSA-N 442.579 4.565 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCCc1cnn(C)c1 1301351174 LVWSGSMMZKGYIO-UHFFFAOYSA-N 434.519 4.545 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1(CC)CCOCC1 1301355071 PNAAREMUWZVDBW-UHFFFAOYSA-N 449.574 4.802 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C)on1 1301364982 DHNTYEDHVHHFJL-UHFFFAOYSA-N 441.507 4.746 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@H](C)C1 1301396804 FNGFYVBWEKZIPL-AABGKKOBSA-N 429.609 4.965 30 10 IJEE Cc1cccc(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@](C)(C#N)C2)n1 1304490048 HFXVIENATHWYKF-QHCPKHFHSA-N 438.938 4.814 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 1306366188 DACQLRFZLKTUJT-UHFFFAOYSA-N 440.473 4.905 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)C1CCC(NC(=O)OC(C)(C)C)CC1 1306981049 BQPCEDLHBOPZGW-UHFFFAOYSA-N 426.330 4.732 30 10 IJEE CCOC(=O)[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1cccc(C)c1C 1307826056 DWQSXKFNERDBRQ-UZUQRXQVSA-N 439.581 4.530 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCc3sc(Br)cc3C2)cc1 1307933622 GACJTGAWLDVGSD-HNNXBMFYSA-N 432.387 4.513 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(-c2ccccc2)no1 1310213118 DJDDBPBQFJFLHH-INIZCTEOSA-N 440.463 4.721 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCc2c(OC)cccc21 1312245547 AACNGRBACMULKQ-LJQANCHMSA-N 433.321 4.982 30 10 IJEE C#C[C@H](NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1312936337 HFOVYUYHBUFPLS-ROUUACIJSA-N 429.706 4.883 30 10 IJEE C#CCN(C(=O)N[C@@H](C)C1CCC(F)CC1)[C@@H]1CCOc2ccc(Br)cc21 1313083048 LVYANGJEHDBWDJ-PHZSVIKTSA-N 437.353 4.834 30 10 IJEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](c1cccs1)N1CCCC1 1358938816 KBPWUFJBTRLHOG-FGZHOGPDSA-N 433.625 4.788 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCCCCC1 1359095518 PFBLEFYJKRXINS-NZQKXSOJSA-N 440.588 4.714 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1359134511 YOMCJGZPCHDIHG-QHCPKHFHSA-N 435.616 4.790 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCC(C)CC2)CC1 1359161776 QETIIPSRYBKDLF-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359199642 CGTOBAOSEWWOMW-RTBURBONSA-N 448.398 4.856 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](OC)C(C)(C)C1 1359223367 JGLAOUSESADTBW-DYESRHJHSA-N 444.645 4.585 30 10 IJEE C=CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@](C)(O)c1cc(C)oc1C)C1CC1 1359247727 NCVFZNZFVMQGTO-HSZRJFAPSA-N 426.948 4.871 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2ccccc2C1)C(C)C 1359265347 DFUKYTVGEQHEBE-JWQCQUIFSA-N 449.643 4.781 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(-c2ccccc2)no1 1359268493 RVBDBRQGZBHXQZ-UHFFFAOYSA-N 432.915 4.875 30 10 IJEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(F)(F)F)cc1C 1359281006 LKOWNUNTLSQODL-LJQANCHMSA-N 438.494 4.534 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2)n1CC1CCN(Cc2cccs2)CC1 1359469259 ATGOFVMTIPKYQU-LJQANCHMSA-N 434.613 4.515 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(Br)c(F)c2)CCCN1C(=O)OC(C)(C)C 1360245007 DTUHLHWPLUMWJQ-HXUWFJFHSA-N 441.341 4.550 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1360478279 HLEUJKMQODWFAY-ZWCUEREDSA-N 427.568 4.588 30 10 IJEE CC(C)(CCCc1ccccc1)CNC(=O)COc1cccc(Br)c1C#N 1360625610 GWXVBKUYFNJESF-UHFFFAOYSA-N 429.358 4.865 30 10 IJEE N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H]3COC(=O)NC3CCCCC3)c2)cc1 1449124109 CQNBQRWYSXGBKH-XMMPIXPASA-N 446.551 4.965 30 10 IJEE C=CC[C@]1(C(=O)NCC(=O)c2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1452475137 XRNPLNATVNXMSM-OAQYLSRUSA-N 441.355 4.638 30 10 IJEE CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1460443767 HPNLLZSLBQLPIH-UHFFFAOYSA-N 439.515 4.614 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 1460843532 IGVYNIBYITZVHV-NRFANRHFSA-N 429.557 4.606 30 10 IJEE C#CCN(C(=O)c1nc(Br)ccc1Br)[C@H]1CCCc2ccccc21 1463022616 XWGJBTKWRAVFTQ-INIZCTEOSA-N 448.158 4.760 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1ccc(Cl)cc1 1466657904 FLDNKHWJLYFKAZ-OAQYLSRUSA-N 430.957 4.942 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCC(=O)c1cc(Br)ccc1OC 1468936165 NKJUBYVNTZTGEI-SFHVURJKSA-N 430.342 4.724 30 10 IJEE C=CCOCCCC(=O)N1CCCn2cc(-c3cccc(NC(=O)OC(C)(C)C)c3)nc21 1470340896 NQCPGMIDOFLMPQ-UHFFFAOYSA-N 440.544 4.617 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)cc1 1475974164 SBLYOTKEJVHYBQ-PKTZIBPZSA-N 441.597 4.683 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 1476005543 BFROIABZTAFXOR-NRFANRHFSA-N 438.524 4.967 30 10 IJEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1476211238 FLPYIWOFWUOIAI-HNNXBMFYSA-N 428.455 4.782 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1)c1ccc(F)c(F)c1 1478473010 WSBPFOXGGUXDQT-WDJPJFJCSA-N 449.542 4.871 30 10 IJEE CCc1nn(C)c(CC)c1Cn1c([C@@H](C)CC)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1498472871 BJLIEOTUKBPEIN-SFHVURJKSA-N 445.615 4.739 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCCN1CCC 1507678735 CDMQVQIEPFCKBG-GOTSBHOMSA-N 437.632 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1ccco1)N1CCCC1 1507819124 OFONZMQVAFKIKN-JOCHJYFZSA-N 435.572 4.786 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1507848383 XLZCYBYWJVPLLO-PKTZIBPZSA-N 438.616 4.681 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC(C)(C)C1 1507856790 CQQRQPQMXCPDTE-UHFFFAOYSA-N 425.964 4.720 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN2CCCCC2=O)CC1 1507879425 BNCGRSUIZVSRHB-UHFFFAOYSA-N 448.398 4.811 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1507909900 WTEGINMVZIVZJC-YCFYUYSTSA-N 430.637 4.947 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1)c1ccccc1 1507924372 MDJLZFUBWUQYLX-WSTZPKSXSA-N 440.542 4.766 30 10 IJEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507959649 RMKSQDFJHBHQGQ-NVXWUHKLSA-N 434.462 4.919 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1 1508003449 ZMUNXJUHSXAEQM-QFIPXVFZSA-N 436.629 4.618 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CC[C@H](c3ccco3)C2)nnc1C(C)(C)C)C(C)C 1508013174 NFUDNDFQZQKOFF-LEWJYISDSA-N 425.621 4.861 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2cccs2)C1 1508129392 QMUQEZQYXMLRID-LJQANCHMSA-N 440.638 4.964 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2cccs2)C1 1508131365 ZQXWEDMNRALKLR-LJQANCHMSA-N 444.988 4.596 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2C[C@H](C)O[C@H](C)C2)c1C 1510370725 CQLAEAHYMNMGPP-ILMFXRJHSA-N 439.604 4.834 30 10 IJEE C=CCOc1ccc(COC(=O)c2cnn(Cc3ccccc3)c2Br)cc1 1521898535 UXUGXAAFFGCYHM-UHFFFAOYSA-N 427.298 4.616 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC3)C2)c1 1524817041 OVRALIRTZZCHNZ-UHFFFAOYSA-N 444.984 4.738 30 10 IJEE C=CCC(CC=C)C(=O)Nc1ccc(OCc2cccc(Br)c2)c(C(N)=O)c1 1535139922 KFTSZLPBWNGNBH-UHFFFAOYSA-N 443.341 4.834 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)cc1 1538169867 PJIIUIQXYUCABP-UHFFFAOYSA-N 426.472 4.591 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(c2ccccc2Br)CC1 1538906338 HQGCHCSEFQRFOY-UHFFFAOYSA-N 427.342 4.884 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)COc3cccc(C#N)c3)c2C(=O)OC(C)(C)C)[C@@H](C)O1 1538949581 FSIBPNGHVFXUPK-UONOGXRCSA-N 442.537 4.615 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@](C)(CC)C1 1539052837 JHMDNJAZLKFLNH-JPYJTQIMSA-N 430.980 4.880 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N(CC)CC1CCN(c2ccccn2)CC1 1539070821 DYCSZINKVLNLRN-UHFFFAOYSA-N 436.648 4.808 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N(C)c1nc2cc(Br)ccc2s1 1539319009 KNGWRMNVDJPRLY-UHFFFAOYSA-N 433.327 4.909 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1nccs1 1539350649 UACLOKRXZCTFPX-INIZCTEOSA-N 425.627 4.680 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCO[C@H]1C(C)C 1539351278 RIDYTXVEMDQNIY-KNQAVFIVSA-N 426.630 4.796 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1539372381 XTKYXUBYEFFRNK-NRFANRHFSA-N 426.992 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1539566775 QJBVSRQSIMDDIP-AZSVPQILSA-N 449.643 4.526 30 10 IJEE C=CCC1(C(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)OC)CCCCC1 1539754549 GRVAABFZBMGYAP-IBGZPJMESA-N 447.373 4.657 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2CCOCC2)CC1 1539874217 KLFVYGZVODXNKJ-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)c1ccc(F)cc1)C1CC1 1540093993 AYQSADLBXJDXPZ-VWLOTQADSA-N 442.579 4.590 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1CCOC(C)(C)C 1540134227 UHIFBRHNBGCTAB-UHFFFAOYSA-N 425.602 4.642 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@](C)(O)C(C)C 1540147967 XZMLUDSFHBOYKH-QHCPKHFHSA-N 428.577 4.669 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cnn(CC)c1 1540810651 MPZQHBYQSQUPDJ-DEOSSOPVSA-N 444.535 4.715 30 10 IJEE C=CC[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C(=O)OCC 1556154267 XDACQZBTTGKPGJ-KRWDZBQOSA-N 436.277 4.618 30 10 IJEE C=CCN(C(=O)CN1CC(=O)CC[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1560196574 NCGCIAIPQDWHNR-ZDUSSCGKSA-N 438.380 4.689 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCC(F)(F)c3ccc(Br)cc3)cc2n1 1563302052 SMTLSUDJTVVDBJ-UHFFFAOYSA-N 435.272 4.898 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)CCCC1 1565065109 CSBNPOWKVJTIMB-UHFFFAOYSA-N 437.625 4.618 30 10 IJEE C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc2c(c1)OCCO2 1565517884 OMTPQHZOXVYEKB-BZMHFZIGSA-N 437.546 4.618 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)c1ccc(Cl)cc1F 1568897977 MIKXOOFACSJLOW-ZWKOTPCHSA-N 448.723 4.565 30 10 IJEE Cc1cc(C)c(C#N)c(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 1585961462 FRRXUMPFFCFPPQ-UHFFFAOYSA-N 449.308 4.837 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 1587234861 YKEZCUYQOHOEJD-JXHRLWIKSA-N 426.582 4.591 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCCOc2ccc(C(C)=O)cc2OC)C(F)(F)F)cc1 1587315741 VXJDGZZJOATCBN-QFIPXVFZSA-N 434.410 4.885 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)c2cc(Br)cnc2OCC2CC2)cc1C#N 1587913780 HVHKODLSDHYYPG-UHFFFAOYSA-N 444.329 4.934 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(-c2ccsc2)nc1 1588015981 HYICPPNIWWTCFO-UHFFFAOYSA-N 443.576 4.715 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1c(C)oc2ccccc12 1588020248 JSIUJDPDJYBQTG-FQEVSTJZSA-N 449.555 4.522 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CCC(OC)CC1 1588180989 MMHIDVNRMCWBJR-BOMBAVFCSA-N 448.611 4.703 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1589215612 BYVHTUMJQKMNAS-UQBPGWFLSA-N 443.636 4.506 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cccc(OC(F)F)c1 1589528012 CHHGGPTUODHNQG-AZUAARDMSA-N 432.515 4.765 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NC2CCCCC2)CC1 1594102258 FRTQMFHWINUZBG-UHFFFAOYSA-N 442.007 4.518 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCOC(C)C)CC1 1594128455 QNWNZJNDSGVVIB-UHFFFAOYSA-N 425.360 4.745 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1594497496 IBJHZEBFTKKONN-PKTZIBPZSA-N 438.616 4.612 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1594582829 VEJSIXSUIFGZMG-HSZRJFAPSA-N 434.588 4.658 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1594608087 DZLHMPSJVSCGOA-RQZFFVEVSA-N 437.613 4.940 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCCC2)CC1 1594698664 VWPMBZREFSREID-UHFFFAOYSA-N 429.996 4.638 30 10 IJEE C=CCCCn1c(N2CCC[C@H](C(C)C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594775712 XMYHFQJHRUSALY-SLFFLAALSA-N 431.625 4.887 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1ncc(CC)s1)C1CC1 1595033587 LUHQQXRYKNUMGS-UHFFFAOYSA-N 444.402 4.930 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1sccc1Br)C1CC1 1595038078 OLTHCACFIZQWQP-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)cc1OC 1595161680 IBLURFQFTDAEMZ-KRWDZBQOSA-N 444.988 4.746 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)C1CCCCC1 1595251271 QTYFGBSYZOLGHO-SANMLTNESA-N 449.599 4.808 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1595319175 DAQQBLPJVYVPHU-NSHGMRRFSA-N 430.980 4.880 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCSC(F)(F)F)C1 1595680152 HBVQSYSSQKRBHT-OAHLLOKOSA-N 432.899 4.633 30 10 IJEE C#C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccc(Cl)cc1 1596953518 FOENHBNPRHBQBM-PMACEKPBSA-N 437.754 4.511 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(C)(C)C)C[C@H](C(F)(F)F)O1 1612916420 AJNYGMKFWIVRFR-CRAIPNDOSA-N 435.494 4.799 30 10 IJEE CCCCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC#N)CC1 1614537526 GKAUKPHHIRKGQP-DEOSSOPVSA-N 445.615 4.601 30 10 IJEE COCC(C)(C)CCCn1c(C(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1619556803 CJQUKAFJMOGADC-UHFFFAOYSA-N 439.604 4.774 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCCc2cccc(OCc3ccccc3)c2)cc1 1622928963 QZFQVIIJZVDBIO-UHFFFAOYSA-N 429.520 4.546 30 10 IJEE COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@H]1CCCO1 1623163814 FXTDVUVSHDTHRT-UYAOXDASSA-N 449.429 4.685 30 10 IJEE Cc1cc2occ(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c2cc1C(C)C 1624572407 BYAIEBCEJIWXJF-XMMPIXPASA-N 433.527 4.955 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 1624930045 JVWIGSPZRHZNSP-UHFFFAOYSA-N 434.462 4.762 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 1627291387 IWGOGHOQEAJPDH-UHFFFAOYSA-N 438.572 4.980 30 10 IJEE C#CCOc1ccc(NC(=O)c2c(Nc3ccc4c(c3)CCCC4)cc(C)nc2O)cc1 1627845350 PBMSQLQFIMZVSF-UHFFFAOYSA-N 427.504 4.982 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(n2c(CC)nc3ccccc32)CC1)C(C)C 1628516838 BBZXFSBXSBVDRO-XMMPIXPASA-N 437.632 4.644 30 10 IJEE C=CC1(CC(=O)Nc2cccc(COCc3ccco3)c2)CN(C(=O)OC(C)(C)C)C1 1630414819 QARBTPVSGOMKLM-UHFFFAOYSA-N 426.513 4.748 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)Cc3ccc(O)c(F)c3)s2)c(C(F)(F)F)c1 1630487353 CHKQDCJVSRMNRJ-UHFFFAOYSA-N 435.402 4.650 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C 1630925416 KGBRVMRFBOHIFW-DCEDVJGZSA-N 446.591 4.898 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)c1ccc(C(F)(F)F)cc1 1631194835 KXOHMNHKVPXFAP-HSZRJFAPSA-N 445.529 4.890 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1)c1ccc(F)c(F)c1 1633019667 NKSTVSGMVYVFQS-WMZHIEFXSA-N 430.495 4.948 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(CC)c2ccccc2)cc1 1633883750 LRUSCJPQQLSZHY-HSZRJFAPSA-N 435.568 4.768 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1634448478 DQQNNIWHZNBGJP-SFHVURJKSA-N 426.517 4.802 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2cc(C)cc(NC(=O)OC(C)(C)C)c2)cc1 1635152591 ULOOETPIYLZJNW-UHFFFAOYSA-N 425.529 4.906 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)C1CCC(NC(=O)OC(C)(C)C)CC1 1642339690 IFYRRUXEQPLQNO-UHFFFAOYSA-N 426.330 4.732 30 10 IJEE CC(C)C[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccccc1 1642456631 DPXDPNWKNNJPQK-XUZZJYLKSA-N 448.611 4.733 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(c2noc3cc(F)ccc23)CC1 1643296338 SSKZUFJRXIGIHW-MRXNPFEDSA-N 427.545 4.811 30 10 IJEE C=CCn1c(SCC2(S(C)(=O)=O)CCCCC2)nnc1-c1ccc(Cl)cc1 1643413769 XWHYEJNJIVHIJD-UHFFFAOYSA-N 426.007 4.624 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 1644131969 PEBCBTRHZDKDJL-WFASDCNBSA-N 436.858 4.798 30 10 IJEE CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1cc(Br)c(C#N)cc1F 1651328561 BXJRJUQYIWDYKR-CYBMUJFWSA-N 448.119 4.643 30 10 IJEE C#CCN(C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@H]1CCc2ccccc21 1652348071 UIZNPBUCJAKEJR-RDGATRHJSA-N 434.580 4.926 30 10 IJEE C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(Cl)cc1 1654150669 HBPMWUKQKSKDEB-MZKGEVEHSA-N 428.863 4.906 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C[S@@](C)=O)c2)cc1OCC 1657518070 HHMYZIRFTTVEFG-AREMUKBSSA-N 438.387 4.903 30 10 IJEE N#Cc1ccc(N2CCC(NCc3cc(Br)ccc3Br)CC2)cc1 1657806785 APEDYUMPUNBLJQ-UHFFFAOYSA-N 449.190 4.842 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2Cc3ccccc3CO2)cc1OCC 1658358581 VJQPRHLLDNVLOO-IBGZPJMESA-N 432.358 4.644 30 10 IJEE C=CCCCS(=O)(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1661002663 JZHWZWPZNJXQGL-UHFFFAOYSA-N 429.973 4.921 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cc(F)c(C)cc1F 1661875491 NCXCHZVXUABOFU-UHFFFAOYSA-N 434.277 4.552 30 10 IJEE C#C[C@H](NCc1cc(Br)c(O)c(OCC)c1)c1ccc(Br)cc1 1664837851 JVXUQZZBJJHNMW-INIZCTEOSA-N 439.147 4.780 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1668939012 NKUXVQWWAPNECG-TZIWHRDSSA-N 441.572 4.732 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1 1673820082 RVXQUUSUMXFUJJ-VXKWHMMOSA-N 446.595 4.628 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1)c1ccc(Br)cc1 1674026271 WBSQWDNEQDBUOC-WMZOPIPTSA-N 433.733 4.640 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1675860292 GUGOTAVJLBNOJC-VJBWXMMDSA-N 439.625 4.614 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12 1676316162 YNEKFHZSMHXYBF-UHFFFAOYSA-N 448.448 4.764 30 10 IJEE C=CC[C@H](CO)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1678366392 VEZOGRBJCBYWOM-CYBMUJFWSA-N 430.373 4.512 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@H](C)C1 1689889072 YBLNIUVQALMZHL-PCCBWWKXSA-N 443.636 4.678 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1689895023 HCTAADXGVKXZQO-FGZHOGPDSA-N 442.554 4.735 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1689895067 IBBZINDJLFFHOI-VXKWHMMOSA-N 441.019 4.969 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCC[C@@H](O)C1 1690061417 XJQHRLNYRQBKBM-HZPDHXFCSA-N 428.989 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cscn1 1690237849 BPXRDOMYMJZAOA-FCEUIQTBSA-N 437.613 4.894 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1ccccc1C 1690240261 CXKDEWVABNHZBI-REWPJTCUSA-N 436.556 4.651 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1ccccc1Cl 1690245753 MNHOWUJRPJLHIV-WIYYLYMNSA-N 430.980 4.695 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1690316456 FZTVZFATXGROAQ-FQEVSTJZSA-N 426.561 4.656 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1690316659 ITLALCXMUCIBMV-HXUWFJFHSA-N 440.588 4.731 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690457007 PHTVZDKZXZNOBK-GOSISDBHSA-N 429.996 4.840 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cccc(C(F)(F)F)n1 1690518029 YOHBOZLNQNEFJO-UHFFFAOYSA-N 439.388 4.631 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCc1ccccn1 1690569333 FKTGTAAZCRZNJV-UHFFFAOYSA-N 428.515 4.618 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCCS2)C1 1690690414 YDPMJAQUGKNSGO-RTWAWAEBSA-N 426.630 4.920 30 10 IJEE C#CCCCCn1c(N2CCO[C@H](c3ccccc3Br)C2)nnc1C(C)(C)C 1705521631 HLQUEPGSPVGFBM-IBGZPJMESA-N 445.405 4.720 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCCc2cccnc21 1705557922 CMTNQVHGAHVOLM-SFHVURJKSA-N 438.000 4.808 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCSC1 1705602096 ITASEEDNIMIYKV-GOSISDBHSA-N 445.057 4.830 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccccc1OC 1705663751 PQFIIRRMYDRRRX-FQEVSTJZSA-N 438.622 4.647 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1705682286 WFNJUWSASUYYCG-VFNWGFHPSA-N 447.377 4.640 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@]2(CC=CCC2)C1 1705685103 NIAOEHIDIQNAMN-OAQYLSRUSA-N 428.378 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1705704794 ZIGJTENNEFROLN-FYYLOGMGSA-N 446.599 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCC[C@H](C)C1 1705711424 LEGMRUOLANYYNN-VQTJNVASSA-N 429.584 4.692 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1705763707 BNSLQQZHOPNCKP-HSZRJFAPSA-N 426.948 4.872 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1705766248 SRDIEBTWLFKELW-UHFFFAOYSA-N 429.446 4.572 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1705766548 DPQJDMPFKIWUIA-SFHVURJKSA-N 442.336 4.970 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Cl)ccc2OC(F)F)CC1 1705768359 QCBFPOMLLFGMNA-OAHLLOKOSA-N 438.906 4.632 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1705792468 UIVNJRKNEYZCFX-DNVJHFABSA-N 443.680 4.865 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(C)(C#N)CC1)C(C)C 1705867916 XWWDEZXQUOVYDD-HSZRJFAPSA-N 432.616 4.774 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(C2CC2)CC1 1705874644 SKCQSBWLXHCJFT-IBGZPJMESA-N 441.620 4.761 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2cccc(C)c2)C1 1705886454 XGVKEEOKHXZDIP-KRWDZBQOSA-N 426.362 4.534 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nnc(C)s1 1722405586 NQVJZWQGGWWRHA-UHFFFAOYSA-N 443.001 4.675 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CCC(F)(F)F 1722452723 VWGGFDYBKGJHAS-KRWDZBQOSA-N 440.535 4.790 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1722456579 YAUNLOJXSONCIV-LJQANCHMSA-N 438.641 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC=C(C)CC1 1722493032 VWKYFWAOGYBRCJ-JQVVWYNYSA-N 426.536 4.695 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1722551720 CBASDALIOKQZGR-NZQKXSOJSA-N 437.975 4.621 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722599231 AJNHKRNCSUDGDF-UHFFFAOYSA-N 436.629 4.697 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCSC1 1722603980 RFUARYODVASVQR-IBGZPJMESA-N 449.665 4.691 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1722645209 DUMGBHPYAAMUQB-CVEARBPZSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@H](C)CN1CCCC1 1722657252 WAGKIRPSBZPMTH-OAQYLSRUSA-N 432.616 4.732 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCCO[C@H]1C(C)C 1722677738 MMIHCTQBMAHQGD-URXFXBBRSA-N 449.599 4.583 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1726965439 FSEIUJGFNIUJJX-QVKFZJNVSA-N 435.494 4.997 30 10 IJEE CC[C@@H](C)N(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1727083732 BPHYYFWHJHTMSG-QGZVFWFLSA-N 447.052 4.694 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(OCC)CCCC1 1740538156 DBXWYNIEJMHIER-MSOLQXFVSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@](C)(OC)C1 1740570320 PAWRJWJIAQNBLC-NRFANRHFSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1740572179 BIFTWWUOSCZRQR-HXUWFJFHSA-N 442.629 4.878 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)cc1OC 1740633795 SVWQLPVKTZNWEE-GOSISDBHSA-N 444.604 4.570 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(C(F)(F)F)c1 1740665610 JXISTGCBEHETMW-UHFFFAOYSA-N 437.828 4.659 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1740732942 VTQZDPXEQLHDII-ZTCOLXNVSA-N 426.992 4.862 30 10 IJEE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cnn(C)c1C 1740778311 VMRNFQINNWAOOY-UHFFFAOYSA-N 429.572 4.607 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1740797355 OMAVAGVWAZFBBT-NQIIRXRSSA-N 430.568 4.542 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N(C)Cc1csc(Br)c1 1740852422 NFACLDIKEXHZFP-UHFFFAOYSA-N 427.412 4.877 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC=C)C1CC1 1740864538 NXYUDBDCCVZDTH-UHFFFAOYSA-N 429.609 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC(=C)Br 1740894350 QJDIOWDHAUVLHB-UHFFFAOYSA-N 446.574 4.892 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1sccc1Br)C1CC1 1740909302 GEGIXIHLVDLZOR-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1CC 1740920690 TXODSKYZRALYME-OALUTQOASA-N 427.618 4.595 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCN1CCCC 1748771981 LYWOQWHMRQTEPD-PZJWPPBQSA-N 444.023 4.796 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCc1nc(C)cs1 1748773972 NQCLCDJKSSYVQI-UHFFFAOYSA-N 430.581 4.659 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCO[C@@H]1CCCC[C@H]1C 1748916807 DQZMEJZCHIZKLL-YLJYHZDGSA-N 430.980 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H]1CCSC1(C)C 1749077848 CRBJZOYRSZZAPM-NBGIEHNGSA-N 438.641 4.943 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)Cc1ccccc1Br 1749129441 DHNAUXBIYKVOIU-GHTZIAJQSA-N 447.421 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)OC)CC1 1749364053 LMIUMJHFFIAOMT-UHFFFAOYSA-N 449.555 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1749373740 SQBFSRSTABOMSH-QFIPXVFZSA-N 447.608 4.982 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749418099 XCMQXECPPZEOKA-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)c1ccc(OC)c(OC)c1)C1CC1 1749517707 SKIMDUZVUIWSFY-NRFANRHFSA-N 440.588 4.670 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(C)CCCO1 1749563440 HLEHPNWUSBSJTD-OAQYLSRUSA-N 431.378 4.764 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(C)(C)C)CC1 1749606220 QTTMSXYKFUFKOG-SFHVURJKSA-N 432.012 4.795 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749621996 KPFYIUNZYIXWSB-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1749744967 RSKRLPBXBCESRF-QGZVFWFLSA-N 428.602 4.516 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccccc2F)n1CCN1CCC(C)CC1 1750791862 BAPXCCVLNHQGKV-UHFFFAOYSA-N 426.584 4.582 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(Cl)s1 1751090776 AIWUHEDHJCMDCF-JTQLQIEISA-N 439.770 4.537 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H](C)Cc2cccs2)c1 1760126534 BESJZMCPFMMGLR-RBUKOAKNSA-N 449.624 4.788 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccc(Cl)s1 1760139995 VZLKCQXOYZYWSQ-UHFFFAOYSA-N 438.988 4.671 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1c(C)noc1C 1760228639 MTJUEEGQCYHBHO-LBPRGKRZSA-N 448.390 4.637 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)C1CCCCC1 1760240564 VBRGQFITKFEGFM-RUZDIDTESA-N 426.580 4.686 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)CCC(C)C 1760292269 WCSCZUGZNOMPSF-FTJBHMTQSA-N 431.584 4.673 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1cc(Cl)ccc1OC(F)F 1760338187 FHOILAGQJQXOJB-UHFFFAOYSA-N 447.917 4.969 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccc(Cl)cn1 1760340282 RSCYSAKSWXKGKG-UYAOXDASSA-N 448.011 4.727 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760366855 KKRPIBAGJNBKAF-NHCUHLMSSA-N 444.023 4.705 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2F)CC1 1760393155 KWJAQQLPLPEOEO-FQEVSTJZSA-N 441.551 4.694 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C2CC2)N(C)C)CC1 1760397127 NCPWFSKXOSMOJU-NZQKXSOJSA-N 437.632 4.778 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCOCC(F)F)CC1 1760405557 XBBUPLFVEAECNX-UHFFFAOYSA-N 448.558 4.839 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1 1760444823 RLPLMPBWGZPBGJ-NHCUHLMSSA-N 430.568 4.817 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC[C@](C)(CC)O1 1772522888 DSYJEYPYKNBKEN-GLYQVZKVSA-N 442.991 4.947 30 10 IJEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 1859838190 UBKFRBFHBBAMEJ-UHFFFAOYSA-N 427.489 4.560 30 10 IJEE N#Cc1c(NC(=O)COc2cccc(NC(=O)/C=C/c3ccccc3)c2)sc2c1CCC2 1860115526 FNTVEUIOHRMARW-OUKQBFOZSA-N 443.528 4.778 30 10 IJEE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=N/NC(=S)NCc1ccco1 1860499759 WJIPISIWBFOGQK-KTZMUZOWSA-N 443.882 4.721 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)cc1 1862431799 OWVLFPRIBNWDCC-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862476405 KKDOXVQMRALWRZ-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862485169 ZXISXHHXOOJHDM-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862515163 ALPWLFVQHKBSRB-GAJHUEQPSA-N 437.536 4.558 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(F)cc2F)cc1 1862516843 YNMCWMXGDNYMHF-OAQYLSRUSA-N 429.463 4.988 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2OC)cc1 1862556139 PPLRIWDNVXTPKI-XMMPIXPASA-N 442.515 4.618 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)cc1 1862591649 LLFUOBWNSGAAPO-XMMPIXPASA-N 443.499 4.796 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(F)cccc1Cl 1862652631 KIIBPHPEZKKLMS-LRTDBIEQSA-N 439.870 4.591 30 10 IJEE CCc1ccc(/C(C)=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C#N)c2)cc1 1866685853 RVNWVUJQHJKLFJ-WFTVZMDTSA-N 437.543 4.890 30 10 IJEE CCCCCCOc1ccc(C(=O)N[C@@H](CC)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc1 1867570098 XRQTXBYUVOMQSL-BJKOFHAPSA-N 435.568 4.844 30 10 IJEE Cc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCC(c4ncncn4)CC3)n2)cc1 1868327327 RFDWRYBQFUUGOB-UHFFFAOYSA-N 448.534 4.636 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)cc1CSCC 1870197039 ROHURFAPMXEVLY-UHFFFAOYSA-N 427.353 4.612 30 10 IJEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 1871281246 MPWDPCATUDDJDY-UHFFFAOYSA-N 443.790 4.566 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(C1CCC3(CC1)OCCO3)CO2 1871359517 OPTZICRHHYPBQB-NDENLUEZSA-N 439.533 4.510 30 10 IJEE C=C(C)CN([C@@H](CCSC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)CCC 1871822950 XFENDIAOXYALBY-NRFANRHFSA-N 440.675 4.707 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 1872350856 AMUHDDWQRHBXPK-INIZCTEOSA-N 440.487 4.608 30 10 IJEE COc1ccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SC)c(OC)c1 1874212362 IVWSHBQPELILEY-OEAKJJBVSA-N 446.960 4.564 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccc(Cl)c(C)c3)nnc2SC)cc1OC 1874229437 KXBZUYWWLRFKJB-FSJBWODESA-N 446.960 4.830 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874236387 GTOHHYYQWQBLJG-LFVJCYFKSA-N 439.585 4.706 30 10 IJEE C=CCSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc2ccccc12 1874277565 WYJSFNWUTNLWKN-QVWJKXSPSA-N 433.581 4.706 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874305725 MHRARIIJTOBICS-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE Cc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1 1874415434 PRLVGBSTRROYSF-YZSQISJMSA-N 441.560 4.790 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874432025 KIYIKUBGWAZHFA-LGJNPRDNSA-N 439.560 4.525 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2[C@@H]2CCCO2)c1 1874443635 HJAPBSJFWAVMJI-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1 1874465553 ORTDQPLWUNKFFP-ZVHZXABRSA-N 432.505 4.808 30 10 IJEE COc1cc(Br)cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1OCC(N)=O 1874583071 VINLVIQBIQLUNP-JXMROGBWSA-N 446.341 4.515 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCc3nc(O)c4ccccc4n3)c(OC)c2)cc1 1874609364 MTSCRZZIQFAQGE-NTUHNPAUSA-N 442.471 4.828 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])Nc1ccc(F)cc1 1874624899 BQFCRBNPPPOEDI-QQDOKKFESA-N 438.386 4.787 30 10 IJEE Cc1c(C#C[Si](C)(C)C)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1S 1887510684 SUPNNOBADWYBHD-UHFFFAOYSA-N 432.706 4.874 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)c(C)c1 2079907588 IAZPQIPKGRTRLQ-KRWDZBQOSA-N 449.336 4.973 30 10 IJEE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1O 2079937423 BFANHAZIDGALNC-LJQANCHMSA-N 434.334 4.825 30 10 IJEE C=CCC1(C(=O)Nc2cc(F)c(Br)cc2C)CN(C(=O)OC(C)(C)C)C1 2124500088 VHLFRWZEZRYDAG-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE COC[C@]1([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CCCCO1 2146066562 OZFNOQDWVAXLKS-PXNSSMCTSA-N 439.350 4.668 30 10 IJEE CC(C)(C)OC(=O)NCCOc1cccc(Nc2ccc(C#N)c(Br)c2)c1 2162422878 PUKAQFABAAGCQE-UHFFFAOYSA-N 432.318 4.968 30 10 IJEE C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2180880803 PHJIDVYPUPTJNE-IOASZLSFSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCC(=O)Nc2ccc(C#N)cc2Br)C1 2203256007 SPHHUEKDVODHNJ-HIFRSBDPSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(CC(=O)Nc2ccc(C#N)c(Br)c2)CC1 2205437234 XLPMBVFBTCZRNP-UHFFFAOYSA-N 436.350 4.733 30 10 IJEE CP(C)(=O)C#C[C@H](N)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2218397268 LGGGSHAINNIRRH-JYFHCDHNSA-N 449.487 4.789 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(O)C#Cc2ccccc2Br)C1 2235716275 MLFJRJHXQTVAEK-YADHBBJMSA-N 434.374 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@@H](N)C#Cc2ccccc2Br)C12CCC2 2235733360 UCKRSAQUEUTVKM-ZIFCJYIRSA-N 433.390 4.602 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2247835184 HMDHWFQCEJGLJG-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE C=CCCC1([C@@H](O)Cc2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2281055885 LRLXZKLJKHQQEH-SFHVURJKSA-N 440.378 4.564 30 10 IJEE CCOc1cc(C=N[C@@H]2CCS(=O)(=O)C2)ccc1OCc1ccc(Cl)c(Cl)c1 2295829725 SRXFSYVSKXWKTR-MRXNPFEDSA-N 442.364 4.577 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(NC(=O)OC(C)(C)C)CCC[C@H](C)C1 2296267694 WGYNRIRGXCCHNQ-DKZVUGQWSA-N 435.406 4.862 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3[C@@H](c3ccccc3)CC(=O)O4)C2=O)c1OC 2297639819 JZGHXEGLKUZESP-GOSISDBHSA-N 428.440 4.761 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccc(OC)cc3)CC(=O)O4)C2=O)cc1 2297640075 OQJUQAVLPBUBCN-HXUWFJFHSA-N 428.440 4.761 30 10 IJEE COc1ccc(N=C2Sc3nc4cc5c(cc4cc3CN2C[C@H]2CCCO2)OCO5)cc1 2297706546 IUPXBUAVRYHPMA-LJQANCHMSA-N 449.532 4.747 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317335849 MXLGMFULGBFICE-BWSGXRDBSA-N 430.354 4.505 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1c(F)cccc1Cl)O3)CN(CCc1cnc[nH]1)CO2 2322206871 GCCNFOZZDUIXKN-UHFFFAOYSA-N 439.874 4.521 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)NCc3ccccc3)c2)cc1 2323131017 SMKVBOQSRQLEJH-UHFFFAOYSA-N 445.515 4.685 30 10 IJEE Cc1ccc(COc2ccccc2C=NNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1 2323413149 XVNKRGIOPCOASJ-UHFFFAOYSA-N 438.549 4.674 30 10 IJEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2324339242 NZPCYNMZELKKLI-QGZVFWFLSA-N 435.461 4.625 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2N=Cc2cccnc2)cc1 2328336097 TVNQNPHBAGCORK-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE CCOc1ccc(Cc2nnc(SCC)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2328565878 WBSWINIIXCVDAM-UHFFFAOYSA-N 445.932 4.823 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(OC)c(OC)c1 2328858354 JJCTXYOHIAWVRP-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329566385 UUPWUDMMCADPSW-UHFFFAOYSA-N 429.889 4.763 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccc[nH]2)c1 2330645411 UXRVGIZWKKCZTI-UHFFFAOYSA-N 430.537 4.503 30 10 IJEE O=C(COc1ccccc1)Oc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 2331093902 HFVWAVJXFQHBRH-UHFFFAOYSA-N 439.370 4.754 30 10 IJEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCc1nc(O)c2ccccc2n1 2331463546 QYTYLOJUMJTMCH-UHFFFAOYSA-N 432.553 4.608 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(OC)c1OC(=O)C(F)(F)F 2331660175 OSZAZLRTZRZWFV-UHFFFAOYSA-N 438.398 4.693 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2sccc2C)c1 2331730070 OVGHAOVVJWMLFH-UHFFFAOYSA-N 425.583 4.755 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C1CCC1 2331894783 UWOLJANTTABFBI-UHFFFAOYSA-N 440.492 4.713 30 10 IJEE CC[C@@H]1[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339540900 CZUPYPUHHUHLMQ-RTBURBONSA-N 443.397 4.926 30 10 IJEE C[C@H]1C[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339577428 SHBZPGZWHBFQEV-KAZAESRKSA-N 444.381 4.751 30 10 IJEE CC(C)=C(CN1C[C@]23CCC[C@]2(C1)CN(Cc1ccccc1)C3)B1OC(C)(C)C(C)(C)O1 2340325473 KNFLMQKKGMWUNR-KAYWLYCHSA-N 436.449 4.942 30 10 IJEE C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2344033967 JYTXWPLAYQZDTC-OAHLLOKOSA-N 449.278 4.548 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(Br)nn1C(C)C 2382020510 ODMLRNMQOCSSHW-LSDHHAIUSA-N 444.418 4.522 30 10 IJEE C=CCOc1ccccc1NC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 9697043 VITFWIXZSCRVQV-UHFFFAOYSA-N 432.545 5.000 30 10 IJEE C=CCOc1c(Br)cc(CNC2CCN(Cc3ccccc3)CC2)cc1OC 10435343 GZMWPLSIRHOJJW-UHFFFAOYSA-N 445.401 4.777 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c(C)c1 33588933 WHBTYKMSTZCCFF-MYKKPKGFSA-N 443.455 4.666 30 10 IJEE Cc1ccc(OC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)CN(C)CC3)cc1 40570074 QIAFSDVSWXGEEK-UHFFFAOYSA-N 429.545 4.614 30 10 IJEE C=CCn1c(CCCOc2ccccc2C)nnc1SCC(=O)Nc1ccc(C)cc1 40978327 FVXBQYCRMSDHQE-UHFFFAOYSA-N 436.581 4.823 30 10 IJEE CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)S/C1=N/c1nc(-c2ccccc2)cs1 101130343 SIPGRPSJFVCIAP-JIPMDXOYSA-N 446.557 4.781 30 10 IJEE CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C/c1ccccc1Br)C2=O 103023827 YBWHNVDTXXBYME-VCHYOVAHSA-N 431.282 4.786 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169958372 RALZOPJEIIOYJQ-QFIPXVFZSA-N 446.409 4.935 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccs2)cc1 169988804 WESUNPBCXBGTLQ-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 170052765 PZVUUVRSUGPJFB-HSZRJFAPSA-N 443.455 4.597 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccccc2)cc1 170054516 INIAJFPSZZWDNG-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)c1 170058846 VYUSARWIHMLULW-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 170063628 UMIZWKPOOWPAGB-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)c1 170139877 VRZJNKZYVJJQHH-QHCPKHFHSA-N 437.536 4.786 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(C)c2)c1 170145616 YMKULRMUCQKXIH-NRFANRHFSA-N 443.927 4.662 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(OCC)c1 170149219 UQAGIVZLVLYRLV-HSZRJFAPSA-N 431.488 4.932 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@H]1c1cccs1 170164958 XBHPPLOQAKDAFQ-HXUWFJFHSA-N 429.538 4.924 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)cc1C 170200136 MQGUUIABGRVUNS-JOCHJYFZSA-N 432.451 4.711 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 170238250 GBBKWKPKJDIDIA-FQEVSTJZSA-N 436.370 4.656 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 170248093 CVGSCUUHMNPZJB-QFIPXVFZSA-N 449.409 4.519 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2F)c1 170248749 ICYMQXSDYULFHZ-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE CCc1ccc(NC(=S)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1 254294625 XVDFOOBVSZYEQQ-UHFFFAOYSA-N 432.524 4.626 30 10 IJEE COC(=O)C(=NNc1ccc(C)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 254449578 QDOYJKIRMUTNQH-UHFFFAOYSA-N 443.532 4.933 30 10 IJEE C=CCN(C[C@H](Cc1ccc(Br)cc1F)NCCC)C(=O)OC(C)(C)C 406694287 JGUJXUQHMKXWGO-KRWDZBQOSA-N 429.374 4.922 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 473395199 MRFKMZDSWKJGIN-RDTXWAMCSA-N 447.482 4.702 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])c(OC)c1 484588669 GPMAIHWRSWHSAP-UHFFFAOYSA-N 446.916 4.906 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCCC[C@@H]1CC(=O)NCC)c1ccc(C(F)(F)F)cc1 500106878 QDQVNDPVCHOFGL-RTBURBONSA-N 425.495 4.803 30 10 IJEE C=CCN(C(=O)c1cccc(Br)c1Cl)c1nc(C(=O)OCC)cs1 504092931 XXHRDTYXLBWCPZ-UHFFFAOYSA-N 429.723 4.569 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 508479561 BEPJDTNDASQSPT-GVAUOCQISA-N 444.579 4.850 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 508835416 ZRKAPDUHGVQYFQ-SDZTWWDVSA-N 449.643 4.800 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccccc1 516318299 LPSXKHQBBQEJKB-UHFFFAOYSA-N 428.540 4.825 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](c2cccs2)C1 549677233 SHWRPVUQZVWJCW-FQEVSTJZSA-N 440.569 4.568 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(N(C)c2ccccc2)CC1 559004746 ZQSUIXUKDWMCFM-XMMPIXPASA-N 429.568 4.636 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)C[C@H]2COC(=O)C2=C)C[C@@H](O)C[C@@H]1O 575327262 MQPRYFLDQLKZSD-BJPUWNGJSA-N 426.597 4.883 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 579687593 FPLWFWQDTORFFF-SFHVURJKSA-N 444.366 4.805 30 10 IJEE Cc1ccc(CCCC(=O)N[C@H]2CCN[C@H](C(=O)/C=C/c3ccc(C(C)C)cc3)C2)cc1 585841219 SDINIBFWLNPNRU-UBVMTXFOSA-N 432.608 4.960 30 10 IJEE N#Cc1cccc(CN(c2cccc(OC(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 586196747 HXQLPFYCJJIVJY-UHFFFAOYSA-N 432.423 4.852 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(SC)c1 586246468 RKTJIXFQPIHYLZ-UHFFFAOYSA-N 438.574 4.993 30 10 IJEE Cc1ccccc1CC1CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 610629281 VHVGCKQCQJJLHQ-UHFFFAOYSA-N 435.578 4.717 30 10 IJEE C[C@H]1Cc2ccccc2N1C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 611266457 UBDUDZPLFORXAW-NRFANRHFSA-N 425.580 4.879 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc4c(Cl)ccc(C)c4n3)ccc2c1=O 776248596 MABPKLNWFYMWTE-UHFFFAOYSA-N 436.924 4.634 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@H](Cc3ccncc3)C2)c1=S 782290558 MIUJQCNONAPSHS-SFHVURJKSA-N 425.989 4.838 30 10 IJEE N#C[C@H](C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCc1cccc(Cl)c1 786534717 MGUGBRMUMZWHNC-BRMCRPDNSA-N 441.236 4.964 30 10 IJEE C#Cc1cccc(NC(=O)c2cc(I)cc(Br)c2C)c1 1124682146 XULJIJANQDSBOH-UHFFFAOYSA-N 440.078 4.596 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ncccc1OCC(F)(F)F 1129588238 FFEXOLLPZLTFGH-UHFFFAOYSA-N 431.208 4.602 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 1138104349 TVXWCMMZPCGDQA-HKBOAZHASA-N 434.552 4.754 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)n[nH]2)c1C 1142235638 SZVUCYJLYVKDGL-UHFFFAOYSA-N 438.491 4.992 30 10 IJEE CC(C)c1nc([C@@H]2CCCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)no1 1191380926 DEPIVTJMNSFOGV-AEFFLSMTSA-N 427.574 4.610 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC2(CC2)c2ccc(Br)cc21 1196236263 ACDIZUSHXIQSSQ-HNNXBMFYSA-N 431.399 4.966 30 10 IJEE C#CCN(C(=O)Nc1cc(C#N)c(F)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1208860193 ZAXJJVWYRGVGIX-LJQANCHMSA-N 442.288 4.759 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)CC1 1215282039 AQORJYXVVVEBKN-UHFFFAOYSA-N 447.535 4.640 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(Cl)c(OCC)c(OC)c1)c1ccc(Cl)cc1F 1221198245 OLCQQLWZKGAVFZ-KRWDZBQOSA-N 425.287 4.714 30 10 IJEE CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccc(C)c(C#N)c3)cc2)c1C(F)(F)F 1264298017 CLHRKAMLZRCIOU-UHFFFAOYSA-N 442.397 4.500 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2(c3ccc(Br)cc3)CC2)cc1OC 1264706106 RZKUPZQSBZUKTA-VZUCSPMQSA-N 428.326 4.841 30 10 IJEE CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 1265472817 CZYJPSDDSDEWAV-FCHUYYIVSA-N 446.528 4.886 30 10 IJEE C=CCn1c(SCC(=O)O[C@H]2CCOc3ccccc32)nnc1-c1ccc(Cl)cc1 1267232467 HGTLDHWOLVWCDH-IBGZPJMESA-N 441.940 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1286278571 PEAAQUGIOLDGEU-ZVVDCOBXSA-N 442.579 4.856 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(SC)CCN(C)CC1 1286282116 NZJCKUAZAGZYES-LJQANCHMSA-N 439.673 4.528 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286357250 ZQAKUJCUKLGVAN-JTHBVZDNSA-N 436.600 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1ccccc1Cl 1286557821 KQYDEQGLYPCTLR-GCJKJVERSA-N 432.996 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(C2CC2)C1 1286572035 XPNHKSHYQDKVKD-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@H](c1ccco1)N1CCCCC1 1286739284 WTZRYMXPRNYRBX-HSZRJFAPSA-N 435.572 4.608 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@]1(O)CCCC1(C)C 1286742122 NTZMAEJOXDOQRA-AREMUKBSSA-N 433.600 4.941 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CC[C@@H](OC)C(F)(F)F 1286742504 QITNXAFNZROCDY-LJQANCHMSA-N 449.521 4.898 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H]1C 1286746796 DOEDISUYZIQDCC-QZTJIDSGSA-N 436.585 4.616 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCCCC1 1286749384 QOTSFEZICWYUDC-LEWJYISDSA-N 443.661 4.548 30 10 IJEE CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1293907771 GGTZOJBYUXDGIU-ROUUACIJSA-N 440.592 4.697 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1298075432 GCNYCZZSMZESCN-UHFFFAOYSA-N 437.337 4.799 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CCC[C@H]2C)c1 1300337146 ULUYYXWDJKMHPY-KNQAVFIVSA-N 433.600 4.503 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1300348032 HLWGJPYQDGLYGM-HNAYVOBHSA-N 432.446 4.651 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1300387105 ZCRDMAIPMBXCFR-SFHVURJKSA-N 449.343 4.993 30 10 IJEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1300394567 SRVCDLCKQOKMKW-IBGZPJMESA-N 444.526 4.637 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(Br)cc2)C1 1300477472 JUHLSCKCJDCEBJ-QAPCUYQASA-N 437.378 4.830 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](COCC)C1 1300870426 SKTKWZZCENJHEJ-DWLFOUALSA-N 445.007 4.833 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cnn(C)c1 1300906332 NVJKIASIBCTPOB-UHFFFAOYSA-N 436.560 4.997 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1301018430 CLCTWVRAXDRMLA-QHCPKHFHSA-N 425.964 4.950 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1301027310 PARMACTUDGNMLL-NQIIRXRSSA-N 444.023 4.781 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H]2c2ccc(C)cc2)nnc1[C@]1(OC(C)C)CCOC1 1301061462 VFAUUHHTAIEWJO-OFNKIYASSA-N 430.980 4.721 30 10 IJEE C=C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 1301066515 RBOYFZSHFQTGDO-HXUWFJFHSA-N 425.577 4.501 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1301078586 SNPBAOXOOZAHMO-OYRHEFFESA-N 437.632 4.867 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1301096794 FPJSTUZOZSCDGM-GXRSIYKFSA-N 430.637 4.804 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccon1)c1ccccc1 1301163217 GQIIRSGZTSBORU-IBGZPJMESA-N 434.931 4.978 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1301185887 MXHUJVXOYHOEQN-HNNXBMFYSA-N 443.498 4.838 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCC1(F)F 1301379313 FWKUFVNULHIDRP-GOSISDBHSA-N 430.499 4.720 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCc1c[nH]c2cccc(C)c12 1301394967 WTQRJQSEWVEVRR-UHFFFAOYSA-N 432.597 4.845 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1C[C@](C)(O)c1cccc(Cl)c1 1301410738 KZTXPCHIBHWKFG-QHCPKHFHSA-N 426.948 4.545 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)C(F)(F)F)C1 1301566213 NNKYAMPAHFMBMX-GOSISDBHSA-N 438.494 4.535 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(CC)cc1)C(=O)OC 1303685437 CQPJBAFYFNXELV-HSZRJFAPSA-N 431.536 4.729 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4C)cc3)cc2n1 1304007029 OXOQPMOCMSCXPS-UHFFFAOYSA-N 446.532 4.584 30 10 IJEE C=CCCC[C@H](C(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1304289711 AWKBQDIOSYPFRU-QFIPXVFZSA-N 442.600 4.755 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CCCC1(C)C 1310071352 RWMWMSORMAAENR-OAQYLSRUSA-N 433.618 4.768 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc(Br)cc1 1312371708 IAYJIUHBRWXQGM-ROUUACIJSA-N 433.733 4.990 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1 1313097397 OPRZIUSWXPVTKM-NRFANRHFSA-N 429.358 4.589 30 10 IJEE COC(=O)[C@](C)(NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1ccccc1 1352690226 HLNSXSCHZAUIOU-XMMPIXPASA-N 434.879 4.822 30 10 IJEE C=CCCC[C@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1ccccc1 1354750860 OWBPAWIKQKNBEP-FQEVSTJZSA-N 426.944 4.891 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1OC 1355296567 SWWKPRVAASQNAL-RAXLEYEMSA-N 435.520 4.973 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCC[C@H](C)C1 1358874734 BYJOBWXWOALDDV-RBBKRZOGSA-N 444.627 4.772 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@H](C)C1 1358915818 QNJWMFZTRKSLLK-LJQANCHMSA-N 447.048 4.997 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCc1ccccc1 1358998883 WMRSFAPJGUOEJB-DNQXCXABSA-N 432.612 4.683 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1SC 1359101011 JDOBDYHQYUKPFD-RDPSFJRHSA-N 449.624 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCn1ccnc1C 1359116234 DBJHYNUOGCHQMG-UHFFFAOYSA-N 431.009 4.831 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C)s1 1359121188 APEZUQRCRKHOBR-GOSISDBHSA-N 445.633 4.975 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 1359138807 DTDAZCIFPOGAJY-HXUWFJFHSA-N 435.616 4.636 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCOC(F)(F)F)CC1 1359176418 XUGYNPBJBRUQFC-UHFFFAOYSA-N 431.462 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCN1CCC[C@H]1C 1359264086 UFQPVCMZJVOSMD-LJQANCHMSA-N 439.604 4.746 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(=C)CC1)C(C)C 1359264882 RURMSCTVCBIVGD-NRFANRHFSA-N 441.023 4.849 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C 1359266150 VBOVXLGUAGPDDE-RBBKRZOGSA-N 429.653 4.638 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nc(C(C)C)cs1 1359267599 MDNQHGKGSLQEOF-UHFFFAOYSA-N 447.406 4.842 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)CCCS2)C1 1359314352 ZIKMTZYYUOQTGP-WGGBDISSSA-N 446.592 4.624 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCc2ccc(Br)cc2C1 1359344462 YJXJZBITHSORIC-UHFFFAOYSA-N 435.435 4.721 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCO[C@H]1CCCC[C@H]1C 1359469389 DCIIZBWKUQRCRN-QINHECLXSA-N 433.959 4.929 30 10 IJEE CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1360122901 CZLHHWSCMUGQGP-OAQYLSRUSA-N 431.561 4.664 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)c4ccccc34)cc2C1=O 1435692461 HKHPOAPUUFHLPC-UHFFFAOYSA-N 435.277 4.637 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC23CCC(CC2)C3)ccc1Cl 1435872707 SFKYVJLZYYYLOL-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 1436556598 GFMDGRUPIAOWHT-OZXSUGGESA-N 439.559 4.978 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21 1459978624 BESIDNHJQBPCCR-QHAWAJNXSA-N 428.374 4.717 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 1460045512 FNBXAXMMFQQTMU-UGKGYDQZSA-N 447.023 4.559 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C 1460781360 NLOBKTFHBOZMEE-HXUWFJFHSA-N 445.357 4.715 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1461529146 KLPRWSCVYAXJLP-DYXPRSFNSA-N 434.652 4.981 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1464361267 ROJSJEYZSDVMTN-TZIWHRDSSA-N 430.589 4.883 30 10 IJEE CN(C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(Cl)cc1 1465582777 DXEKCKJFGZHIKP-XMMPIXPASA-N 433.939 4.823 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 1465781042 FHEYASCSRZXKNK-VBKZILBWSA-N 436.405 4.850 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)c(Cl)cc1I)c1ccccc1 1467107576 XMJYSDDKZARWPG-CQSZACIVSA-N 428.632 4.580 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)c1ccc(F)c(F)c1 1467263216 VINKTYOBQUZQNL-NRFANRHFSA-N 434.446 4.666 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCC3(c4cccc(Br)c4)CC3)cc21 1467381106 ZGSCRCARWDLIJP-UHFFFAOYSA-N 425.330 4.838 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 1470785510 FGAHUDGFBNIINW-JLLPCOHGSA-N 439.600 4.858 30 10 IJEE C=C[C@H](CO)N[C@@H](C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccc1 1473667722 FKJDHDAMHJOIAO-DNVCBOLYSA-N 448.375 4.933 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(c3cccc(F)c3)C(=O)C2)cc1F 1476213875 HZGVMAPMPVCXIK-UHFFFAOYSA-N 448.429 4.509 30 10 IJEE N#Cc1cc(NC(=O)NCCc2ccc(F)c(Br)c2)ccc1OC(F)(F)F 1476496521 HWYXQXHKRMGWSR-UHFFFAOYSA-N 446.198 4.723 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1477740753 SRBLFZKSUPYJQA-AWEZNQCLSA-N 444.400 4.902 30 10 IJEE CCC(CC)(Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](F)(C#N)C1)OC 1496507467 DDDWPCIDJPGWGA-XXBNENTESA-N 443.567 4.682 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1coc(-c2cccs2)n1)C(C)C 1501661554 AUGYPVLSLPVMDV-UHFFFAOYSA-N 448.552 4.728 30 10 IJEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCC(F)(F)C1)[C@H]1CCSC1 1503413347 AROVBXSQYJJZKE-MJGOQNOKSA-N 431.556 4.974 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](CC(C)C)N(C)C 1507524842 XOEDSEQZZHSHSK-UYAOXDASSA-N 427.662 4.710 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](CCOC)C1 1507573719 JIBBDTOJGUWQNJ-PMACEKPBSA-N 445.007 4.965 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C(C)(C)C1 1507596709 NPZOPXPNULLYDC-OALUTQOASA-N 429.609 4.636 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1507754743 PGIOVCDOYAJRTR-UHFFFAOYSA-N 430.643 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCCCC 1507765184 ZPVDHTFEKVLDOF-OAQYLSRUSA-N 431.378 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCO[C@H]1C(C)C 1507815010 JTFRANUPPJEATH-REWPJTCUSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCn2ccnc21 1507822920 BCISIFFIAOXXPN-NRFANRHFSA-N 434.588 4.596 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1507827297 FUKDJQRLVYQIJX-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1507829832 HRSJXOBSQMNKIZ-GOSISDBHSA-N 434.588 4.514 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCn2ccnc2C)CC1 1507896340 CJXYODNTOJBSKB-UHFFFAOYSA-N 431.371 4.859 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(CC)CC)CC1 1507910891 GBVCCTWAMJNCDV-UHFFFAOYSA-N 431.028 4.906 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H]1c1nncn1C 1507918750 ITFMWMSPBWEXFR-FQEVSTJZSA-N 449.603 4.546 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](c2nccs2)C1 1507944623 UBVOOXXMVRMIKC-VQIMIIECSA-N 443.548 4.558 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1CC 1507999387 KDNUAZLWZZXDEZ-YADHBBJMSA-N 427.556 4.626 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1OCC[C@H]1C 1508032359 FAFZBMYOEADLOH-XMSQKQJNSA-N 440.975 4.775 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnc(C)s1 1508103718 HXWBROVSCULEIX-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1508152395 LTULDJRVRNHUFK-SFHVURJKSA-N 438.544 4.500 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1517408487 CUSBWYJHGGQPEW-YADHBBJMSA-N 434.632 4.810 30 10 IJEE CCOc1ccccc1[C@H](CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)NC(C)=O 1518355247 BJHLUUUSNGWJAI-QHCPKHFHSA-N 443.503 4.955 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)CCCCC1 1521566402 HYEHCWMOECWHLQ-UHFFFAOYSA-N 442.581 4.529 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 1521931424 JBWXMENNGBKRLZ-SJLPKXTDSA-N 436.936 4.665 30 10 IJEE CC(C)(C)n1ncc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1-c1ccccc1 1524847764 DUVATPUJAHXNJC-UHFFFAOYSA-N 447.970 4.793 30 10 IJEE Cc1cc(C)c(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c(Br)c1 1525508555 RBWCYXVEXZYINZ-MRXNPFEDSA-N 438.366 4.982 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)C[C@@H](C)CCc1ccc(I)cc1 1525672541 DLHZFUJJLIHKCG-SFHVURJKSA-N 445.344 4.912 30 10 IJEE Cc1c(C(=O)OCc2ccccc2Oc2ccccc2C#N)nnn1-c1ccc(F)c(F)c1 1525713417 GRPLGRUJJBPJAW-UHFFFAOYSA-N 446.413 4.875 30 10 IJEE CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 1528066417 RBMROUCQVCVFSS-IBGZPJMESA-N 443.341 4.709 30 10 IJEE Cc1cc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)ncc1C#N 1530655645 GMRMWRDNHFJJHE-UHFFFAOYSA-N 436.397 4.509 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)N(CCc3ccc(Cl)cc3)CC3CC3)C2)c(F)c1 1530911346 CALAGWZCXSEYJA-FQEVSTJZSA-N 425.935 4.658 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C/C=C/c2ccc(F)cc2)c(C(=O)OCC)c1C 1532544839 BMVCBSIKXMHKKM-VOTSOKGWSA-N 431.485 4.757 30 10 IJEE C#C[C@H](NC(=O)c1csc(Cc2cccc(F)c2)n1)c1ccc(Br)cc1 1535483641 PCKODIADZPPOTQ-KRWDZBQOSA-N 429.314 4.740 30 10 IJEE Cc1nn(CC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c2nc(C(C)C)cc(C(F)(F)F)c12 1537067401 GBSGOORJPZSJJK-HNNXBMFYSA-N 443.473 4.973 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(OC)CCC(C)CC1 1539194084 RHJVTEHRYKCADS-UHFFFAOYSA-N 438.616 4.954 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(Cl)nc1 1539343610 NOOHPYGCCMTIJT-HNNXBMFYSA-N 430.339 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1cc(Cl)ccc1OC(F)F 1539549524 JGZQPXLOJJGPDL-JOCHJYFZSA-N 443.885 4.635 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CCCC 1539622792 YAGUHWQPHWHIMW-HKUYNNGSSA-N 433.394 4.925 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1540036251 LKTRRQQJLFDPFM-QGZVFWFLSA-N 437.009 4.821 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1nccnc1C)C1CC1 1540101887 OOGJPSITKAZUIN-UHFFFAOYSA-N 429.355 4.748 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@H]1C 1540128871 QQXREOSLQCXPCZ-CLOONOSVSA-N 447.608 4.546 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(C)c1C 1540139508 ADJCEIWHWMNZPA-UHFFFAOYSA-N 432.597 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)c(C)c1 1540146340 DBMLYWAQSHCJNY-LJQANCHMSA-N 426.561 4.922 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1ncc(C)s1 1540147133 IZUFZKAFNJFKLX-MAUKXSAKSA-N 429.615 4.952 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1Cc1ncnn1C(C)(C)C 1540147908 POUKAKYGMNLVPT-UHFFFAOYSA-N 439.633 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CCCc1cccc(C)n1 1540162090 SRDWSIBBVVZYCQ-UHFFFAOYSA-N 426.568 4.951 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1nc(C(C)(C)C)cs1 1540189235 MCMLQPMISKZANO-GOSISDBHSA-N 441.601 4.760 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 1542578588 SRDGWQUFFASAPX-SJORKVTESA-N 436.364 4.835 30 10 IJEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 1557394174 DICRVWQRIGAGSC-SANMLTNESA-N 439.559 4.526 30 10 IJEE C=CCOc1ccc(CN(C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C(C)(C)C)cc1 1559637947 HTTPSTJBGWEKIJ-HSZRJFAPSA-N 446.632 4.860 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)c1ccc(F)cc1 1564996383 WDKFKGZPOAWMHL-WOJBJXKFSA-N 430.321 4.549 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc2nc(O)[nH]c2n1)c1ccc(C)c(C)c1 1565656677 LQYZDRYMRDOSHF-UHFFFAOYSA-N 428.492 4.692 30 10 IJEE Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)nnn1Cc1ccc(F)cc1 1583845348 CBLJELVKCAZYFD-INIZCTEOSA-N 437.544 4.720 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(C#N)c1Br)O[C@@H](C)C2 1584220082 HIBOTGZHEJSUNN-NUTKFTJISA-N 441.325 4.785 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCCOc2ccc(C(C)=O)cc2OC)C(F)(F)F)cc1 1587315740 VXJDGZZJOATCBN-JOCHJYFZSA-N 434.410 4.885 30 10 IJEE C=CCCC[C@H](C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1)c1ccccc1 1587800221 IDHIPVJHELJHEJ-SANMLTNESA-N 433.596 4.866 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)Cc1cccs1 1588088620 AFOVSPHEEMNRGG-LJQANCHMSA-N 439.588 4.815 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1588482813 WITQKZCEDRRYDE-XUZZJYLKSA-N 449.574 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1C 1589259323 LQFVHROVWXOTFV-GFTAFNIFSA-N 441.620 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CC)C1 1589494444 LJAMCNMWOSPRRU-BXWFABGCSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(F)(F)CC1 1589567919 GVZKVDXEOKPHDN-KNQAVFIVSA-N 446.542 4.636 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCC)CC1CC1 1589578977 JEBAWZCAPXFGFL-GXRSIYKFSA-N 430.637 4.804 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(Cc1cccs1)C1CC1 1589701269 WLQNTNFVSZTWMZ-UHFFFAOYSA-N 441.988 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1594461690 VVFDRKPMXPRFKC-HXUWFJFHSA-N 431.382 4.768 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1594491671 HTUHZIDUWCHTCM-DLBZAZTESA-N 445.633 4.719 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1oc2ccc(F)cc2c1C)C1CC1 1595013989 NREGNMPMWVPKNP-UHFFFAOYSA-N 439.535 4.593 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccc(C=C)cc1 1595157010 UHLYAFALHJWBMQ-UHFFFAOYSA-N 428.565 4.875 30 10 IJEE C=CCOc1ccccc1Cn1c(N2CCC[C@H](OCCC)CC2)nnc1C(C)(C)C 1595665348 SENKFFOGQLOTJG-NRFANRHFSA-N 426.605 4.974 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCCCC1 1611244204 BZPDFCKDPJAKQM-UHFFFAOYSA-N 428.536 4.778 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCCOc1ccc(I)cc1 1617458945 PZWAAMWYIYCTEY-MAUKXSAKSA-N 427.326 4.701 30 10 IJEE Cc1ccc(CN(CC(C)C)S(=O)(=O)c2cccc(Br)c2C#N)c(C)c1 1622273802 AWFMBJUQRMDPFL-UHFFFAOYSA-N 435.387 4.785 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2sc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2C)c1 1632698207 NQMLOHCSPQEVBK-UHFFFAOYSA-N 439.581 4.824 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 1636892808 VONOFKPSNSGNHR-FBBABVLZSA-N 434.422 4.972 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1ccccc1 1636977905 NMRFAVUXWIFHLC-INZIPBBXSA-N 443.569 4.653 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2c(F)cccc2F)CCC1 1638096825 AUGUCQXWDQRBNZ-INIZCTEOSA-N 428.907 4.539 30 10 IJEE C=CC[C@]1(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CCCN1C(=O)OC(C)(C)C 1638484471 BCDDMPWWQISZFF-XMMPIXPASA-N 427.520 4.538 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1 1638916996 PRKFXAHVEBCAAB-FQEVSTJZSA-N 433.305 4.806 30 10 IJEE Cc1c(C#N)c(S[C@@H]2CCc3cc(Br)ccc3NC2=O)nc2c1CCC2 1640761941 BLDSVRPVHLJFAN-GOSISDBHSA-N 428.355 4.559 30 10 IJEE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Sc1cc(C#N)ccn1 1652603177 HMIRXUOXBFDCCT-CQSZACIVSA-N 437.546 4.978 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)c1 1654015905 FWNDCGILASIQLJ-UHFFFAOYSA-N 439.920 4.503 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1654703010 WIRRPSQKIAKOIM-LJQANCHMSA-N 441.471 4.619 30 10 IJEE Cc1ccc(CCC2CCN(C(=O)COc3ccc(Br)cc3C#N)CC2)cc1 1656368985 GKCFLGCEMKCTSW-UHFFFAOYSA-N 441.369 4.879 30 10 IJEE C=CC(C)(C)CCCNS(=O)(=O)c1c(Br)cc(C)cc1Br 1656773215 MDLBOZMDSCSDNK-UHFFFAOYSA-N 439.213 4.791 30 10 IJEE C#CCC1(NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CCCCC1 1657134926 DMSMVNMTFGTHDR-UHFFFAOYSA-N 439.400 4.577 30 10 IJEE C#CCCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1659257865 KFHNWJYEQJVACB-LJQANCHMSA-N 435.376 4.939 30 10 IJEE Cc1cc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cnc1N1CCCC[C@@H]1C 1660117492 BJKOCNAJPOGOFE-NLMOZGTASA-N 448.571 4.547 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-])c1ccc(Cl)cc1F 1665115528 HSGXQSYNGIOQTJ-OAHLLOKOSA-N 435.839 4.681 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc(OC)c1OC 1667711536 XJLAEILJZUDZLD-RBUKOAKNSA-N 445.357 4.550 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1)C(C)(C)C 1669924557 HPTVIHYFXDAQGT-QFIPXVFZSA-N 441.597 4.851 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1)c1ccccc1 1670776042 XCECJJNCRNMIOH-BWKNWUBXSA-N 449.595 4.578 30 10 IJEE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCN(c2ncccc2F)C1 1672388308 HHNBGRJZHASSQM-LBPRGKRZSA-N 436.331 4.659 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 1677312429 JVPMXQNWSKVCDG-SJORKVTESA-N 436.375 4.660 30 10 IJEE C[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CCN(Cc2ccccc2)C1 1677898457 BEWHNTPILAOSJJ-WMZHIEFXSA-N 444.604 4.997 30 10 IJEE C=CCOc1ccccc1CNC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCCCC1 1679223157 PCMQDDACNZHIBJ-UHFFFAOYSA-N 431.577 4.620 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC2(CC1)CCN2C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1680279884 DOEHDLJONGNYIP-LJQANCHMSA-N 435.515 4.767 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1689895593 ZKASCFZAHFKLAD-UHFFFAOYSA-N 436.991 4.876 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)c1cccs1 1690008730 MSZZAEXFJQPTNA-UHFFFAOYSA-N 426.948 4.850 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccc(C)nc1 1690065339 UJGMSKAMZFFUTE-UHFFFAOYSA-N 444.764 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)N1CCC(C)CC1 1690196003 VDCPUOCFGHUSJI-NTKDMRAZSA-N 426.008 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1Cc1nc(C(F)(F)F)cs1 1690207711 IVQAIZKAEMAHFY-HXUWFJFHSA-N 449.477 4.524 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@](C)(CC)C1 1690241556 UFPNAFNLHAEMJJ-ITSWEJNFSA-N 448.970 4.724 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1690334021 BLLUTCYFLOQNQT-RBUKOAKNSA-N 445.951 4.780 30 10 IJEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1c1csc(C)n1 1690500052 KAYLCYRBGIJVBX-OAQYLSRUSA-N 439.585 4.653 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1N(C)CCCC1(C)C 1690519590 PADJCGSVZIBISE-HSZRJFAPSA-N 449.599 4.860 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@@H]1C(C)C 1690560047 OHUSVEXGQRLAGN-LADGPHEKSA-N 435.616 4.992 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCCc1cccc(C)n1 1690571586 BWKSPTREDBSNLX-HSZRJFAPSA-N 435.547 4.798 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCCC1(C)C 1690609648 VXDFKJYADSYLSF-VWLOTQADSA-N 426.605 4.780 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1690992955 CFAKICQPKXVZJQ-QGZVFWFLSA-N 440.592 4.761 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1CCC(C(F)(F)F)CC1 1705496358 FFKHDSUDZAJDMW-FHERZECASA-N 440.460 4.974 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1705535758 XITDHFJIWYDHQY-UHFFFAOYSA-N 426.351 4.547 30 10 IJEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCc2sccc2[C@@H]1CC 1705537488 HMPZPXWWXTWMNW-NRFANRHFSA-N 436.581 4.854 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1705593381 AHZWPBWPQIIIEN-DENIHFKCSA-N 439.003 4.903 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1C 1705620449 UCGYMYDSPATJHO-XLIONFOSSA-N 437.588 4.849 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC(C)C 1705671084 VGVDLGWFYKSQRW-XMMPIXPASA-N 435.959 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705705891 MNZDXCQOTADTOM-NHCICSSKSA-N 444.645 4.553 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1705722927 PGYKBRVOORRDFB-HKUYNNGSSA-N 426.561 4.706 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 1705727512 JNJFUIWZUGWQMF-OAQYLSRUSA-N 438.616 4.984 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccncc2Cl)CC1 1705763123 OWYWIQHCZTUJHC-INIZCTEOSA-N 427.911 4.810 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H]1CC 1705801912 VUYIGFQRTGSWAO-MJGOQNOKSA-N 444.649 4.528 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705811619 GVHGLLXHBQDZMM-UPVQGACJSA-N 447.631 4.911 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705889009 ARKWRQQOJPSMBO-KRWDZBQOSA-N 443.345 4.672 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC(C)C)C1 1705920290 UVPSKZGPQCHJTL-SFHVURJKSA-N 433.394 4.843 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2=CCCCC2)C1 1705928438 FEZFZUVQCOABMT-OAQYLSRUSA-N 428.964 4.792 30 10 IJEE Cc1ccccc1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1707673394 DQSQDACCKPTZLC-DRLORSAXSA-N 435.616 4.878 30 10 IJEE CSC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCCC1 1712794984 DLTYZKNAYDGKHK-LJQANCHMSA-N 425.602 4.641 30 10 IJEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722316561 FJZOGOCUXQKCLY-QHCPKHFHSA-N 448.659 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(F)cc1C(F)(F)F 1722388753 JUENRCSOHRNVQH-UHFFFAOYSA-N 430.405 4.516 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(OC)ccc1Br 1722520793 MFSHHIGRAUSASU-UHFFFAOYSA-N 431.334 4.830 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccs1 1722537087 UZQQHJFBKCLBDX-OAQYLSRUSA-N 449.580 4.724 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1722575525 MIKUTMDYCQLLFT-IBGZPJMESA-N 429.012 4.516 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1722576550 LPADVIUCMJJELX-UHFFFAOYSA-N 429.446 4.689 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(CN(CC)CC)c2)CC1 1722578059 XSIIVQKPRSPWNO-DEOSSOPVSA-N 437.632 4.812 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722581583 DXOOVBDMDHUUJX-FYYLOGMGSA-N 449.643 4.917 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1722595884 WXXVUAOQTRFNLF-NLFFAJNJSA-N 442.579 4.995 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CSc2ccccc21 1722633268 RJEJYXVNYUNCFJ-AWEZNQCLSA-N 444.402 4.558 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1Cc1nc(C)c(C)s1)C1CC1 1722648370 PLAZWVXZAKNDIC-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCSC1 1722660394 UXJXISSZCIGRFM-UYAOXDASSA-N 430.593 4.647 30 10 IJEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2C[C@H]2CCCCC2(F)F)n1 1726023874 DWYUUOBZUCDDNL-HXUWFJFHSA-N 447.578 4.731 30 10 IJEE C[C@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCSC(F)(F)F)C1 1726501867 IECQOETUNJSVHE-GJZGRUSLSA-N 439.507 4.607 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C(F)(F)F)CC1 1740582141 LHLMMUWATIRTHS-UHFFFAOYSA-N 447.324 4.961 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(SC)c1 1740777261 SIJMVQNSNUOTPO-UYAOXDASSA-N 429.634 4.764 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)Cc1ccc(C)o1 1740790191 DFKPGQFXZSWAAC-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H](C)N2CCCCC2)CC1 1740835791 OUTPSPMTEQKATB-LJQANCHMSA-N 438.576 4.520 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1740836261 SHSWYNLAFZNZTC-JOCHJYFZSA-N 435.572 4.560 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCOC2)CCC1 1745315647 CCIYDPGTERDKAI-OAQYLSRUSA-N 437.588 4.562 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCCN1CCCC[C@H]1C 1748902018 FDNSDMXEIFNESN-HSZRJFAPSA-N 449.668 4.606 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(Cl)c1C 1748915016 NIMHMQKUROKGJM-UHFFFAOYSA-N 432.753 4.505 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCCCO 1749056389 YFFRADLSUBSCQO-AREMUKBSSA-N 431.584 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC[C@H]1C 1749148202 ZLSVQAPNBJQGOB-QZTJIDSGSA-N 428.577 4.810 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@](C)(OC)C1 1749257401 QVLVXSBHANPYRK-LJQANCHMSA-N 439.785 4.774 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1749311155 GSOBCRICDIIRHM-QFIPXVFZSA-N 437.632 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1749360092 UMRUJZQXORFYJR-UHFFFAOYSA-N 425.577 4.605 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1Cc1nccc(C(F)F)n1 1749549302 VSZMGZCCOPQTSR-UHFFFAOYSA-N 438.507 4.975 30 10 IJEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1cc(C(F)(F)F)ccn1 1750813724 CIMLJJGOJHKZPL-UHFFFAOYSA-N 428.462 4.565 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1760142262 XDDZPFKHICEPBM-UHFFFAOYSA-N 443.551 4.714 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1760158572 OUPUOBUYUVRKOE-WMZHIEFXSA-N 436.600 4.572 30 10 IJEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1ccc(Br)s1 1760171147 WRIGEMBLKPEDCG-UHFFFAOYSA-N 440.370 4.563 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)CC 1760275806 JEDGPFUPNUOSAP-ZDUSSCGKSA-N 427.437 4.618 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@H](C)SC 1760288574 GNOVSTVVDCNBNN-YZZKKUAISA-N 428.602 4.560 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC2(CCC2)C[C@H]1CC 1760310050 QIYYQMBECQSOQG-GOSISDBHSA-N 445.405 4.945 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1760343776 SILWVAABQRMFAP-RDTXWAMCSA-N 449.958 4.663 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1760367324 HGSOLUINNCQNIA-UHFFFAOYSA-N 431.371 4.951 30 10 IJEE C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760368470 CUGLVCLAPMLSOX-GOSISDBHSA-N 441.963 4.577 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1760393754 YGNMXBHZQCYNSK-LEWJYISDSA-N 440.588 4.617 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 1760400231 SJQKSMLQSQVIHZ-UHFFFAOYSA-N 445.489 4.675 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1760403417 RGEDKMGDGPQIRA-QFIPXVFZSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1760411318 JMSVKKGRZHZIDJ-GOSISDBHSA-N 447.587 4.577 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@@H](COC)C1)c1ccccc1 1760418088 MMMYRXIMKWIRBJ-GGAORHGYSA-N 431.584 4.953 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)c1ccccc1 1760418427 SEXUCUKCPIFEDJ-RSPOEFSDSA-N 434.506 4.777 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1)c1ccccc1 1760419745 BJCHCGZCKVHODV-GGAORHGYSA-N 448.615 4.538 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760433094 QDXXGGQOXGXLRF-OTWHNJEPSA-N 432.012 4.957 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1760444195 ZQSKZVWGLOIGQE-FXAWDEMLSA-N 439.362 4.983 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1760487782 DLDHTAJTNBVAIL-BWKNWUBXSA-N 436.604 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1760491499 JKJXPSTZNMJBRW-IBGZPJMESA-N 441.576 4.672 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCCC1(C)C 1761992121 DCADQFGUJXUTFQ-UQBPGWFLSA-N 439.604 4.542 30 10 IJEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)CCO1 1764356535 DASZCTJGGMVPRO-OZXSUGGESA-N 444.583 4.657 30 10 IJEE O=S(=O)(c1cccc(-c2csc(NN=Cc3ccccc3Cl)n2)c1)N1CCCC1 1772724279 SSKIPFRRHRWUTN-UHFFFAOYSA-N 446.985 4.694 30 10 IJEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)Nc3ccc(N4CCCC4)cc3)cc2)c1 1858912741 CSUHODBAUPXWNT-UHFFFAOYSA-N 440.503 4.699 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(N(C)C)cc1 1862414688 GGCMCQXYXAHJTD-NRFANRHFSA-N 428.479 4.799 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@H]2c2cccc(C)c2)cc1 1862533681 NUMZGFXZQMTBOE-DEOSSOPVSA-N 434.580 4.868 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862533995 QCWYLBHURMMXAV-XMMPIXPASA-N 442.515 4.821 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Br 1862599500 HSAKPDATJHRSPG-SGTLLEGYSA-N 430.298 4.532 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862625959 QYRDOGSXRGFBGE-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCc2cnc[nH]2)cc1 1862713295 LWRKFWJOZDTGHL-XMMPIXPASA-N 437.499 4.692 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C)cc3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862834922 CFSWWKQBGUTRNF-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCCCCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2cccc3ccccc23)C1=O 1863583892 RUWPMFAIFFPTSL-UHFFFAOYSA-N 444.579 4.836 30 10 IJEE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866780666 GEYWRGJWNPRTGV-BJKOFHAPSA-N 429.495 4.753 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(-c2ccc(C)cc2)n1 1867962602 KDPCWUROVZNITN-UHFFFAOYSA-N 449.599 4.688 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCc2ccc(CC)cc2)n(-c2ccc(OC)cc2)n1 1870001655 NPNHOAQSAGYMLA-UHFFFAOYSA-N 445.567 4.588 30 10 IJEE CCCCc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccccc2Cl)cc1 1870144566 GEMDVOBCNHPEMV-UHFFFAOYSA-N 437.931 4.933 30 10 IJEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CNc1cccc(Cl)c1C 1871117035 AFWUILOVBQLASG-UHFFFAOYSA-N 433.980 4.647 30 10 IJEE CCOC(=O)CN(C)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871393878 PDOLWOOJULUDKS-BKUYFWCQSA-N 437.536 4.609 30 10 IJEE CCCCCCCCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545561 PIXSITBYYWVABT-RTBURBONSA-N 428.600 4.853 30 10 IJEE C=CCN(CC=C)c1nc(=NCCC(C)C)nc(Nc2ccc(OC(F)(F)F)cc2)[nH]1 1871574545 OLTNVSXFNOZNEB-UHFFFAOYSA-N 436.482 4.572 30 10 IJEE COc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 1872765854 YEQPRFVGXIPJKS-HNNXBMFYSA-N 443.322 4.836 30 10 IJEE C=CCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2ccc(-c3ccccc3)cc2)C1=O 1873081656 NWHQKCQKWWUURS-UHFFFAOYSA-N 447.538 4.933 30 10 IJEE N#Cc1ccc(NC2=C(c3cc(F)cc(F)c3)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873320567 JOVPCVSRKOZGAQ-UHFFFAOYSA-N 443.453 4.661 30 10 IJEE CCN(CC)c1ccc(/C=N/Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1 1873526853 ZZEQLCPVQHJYGJ-ZMOGYAJESA-N 430.339 4.832 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccc(Cl)cc1)n2CCCC 1873584464 VKRUBZPDFRKVBB-UHFFFAOYSA-N 437.975 4.993 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874215554 AMERDJIJZJQBEP-OEAKJJBVSA-N 444.944 4.636 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cccc(F)c1 1874236205 VZYKMJVEJYFQOP-ZMOGYAJESA-N 426.517 4.945 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccc(OCCC)c1 1874429964 LFZCGLGHOUXWDK-LFVJCYFKSA-N 438.553 4.661 30 10 IJEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(SCCO)nnc2C2CCCC2)cc1 1874458106 XGYFVVHFXFFKBR-NLRVBDNBSA-N 449.624 4.929 30 10 IJEE COCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Br)cc1 1874498240 XZSJGLFSKIQPQR-SRZZPIQSSA-N 431.359 4.670 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)[C@@H]1CCCO1 1874708495 FWTLLPUJHQHHOW-HDFUYHJRSA-N 438.520 4.982 30 10 IJEE COc1cccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])c1 1875135743 GAGMFMNWFKXMET-XYOKQWHBSA-N 447.443 4.792 30 10 IJEE COCCOCC(=O)Oc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Br 1875139410 HMUQWNYBRUHBKA-SOFGYWHQSA-N 447.325 4.530 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@@H](C)C1)n2CCC 1875205372 QHXXXKSOHXBQMB-OALUTQOASA-N 429.609 4.863 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C(F)(F)C1 1901034131 LSKOYRVHVLGKLP-HXUWFJFHSA-N 429.508 4.705 30 10 IJEE CC(C)[C@@H]1C[C@@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942594304 QLWMYHQOXUSUPD-HWBMXIPRSA-N 427.589 4.595 30 10 IJEE CCCC[C@@H](CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)NC(=O)OC(C)(C)C 1963239403 HNXPOXSCFZLVRT-SFHVURJKSA-N 438.418 4.545 30 10 IJEE CC[C@@H]1CC[C@@H](C#N)[C@@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 1974789334 BDPQMMPMTMCCPD-KGSVPTONSA-N 432.520 4.944 30 10 IJEE N#Cc1cc(Br)ccc1N[C@H](CNC(=O)OCc1ccccc1)C(F)(F)F 1998964471 SZSNVHXEFZYDGT-MRXNPFEDSA-N 442.235 4.590 30 10 IJEE N#Cc1cc(F)c(NCCCCCNC(=O)OCc2ccccc2)cc1Br 1999010755 MISQCTVRLQWOKF-UHFFFAOYSA-N 434.309 4.968 30 10 IJEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#N)N(C(=O)OC(C)(C)C)c1cccc(OC)c1 2020325136 SNDPHQFIPNNSHV-JPYJTQIMSA-N 431.533 4.728 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1ccc(Br)c2nsnc12 2137393046 YPFACNIJIKRNMR-UONOGXRCSA-N 441.395 4.574 30 10 IJEE Cc1c(Nc2cc(I)ccc2Br)ccc(N)c1C#N 2142499918 YQENVHKMKCLWEY-UHFFFAOYSA-N 428.071 4.560 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CN(c3ccc(C#N)c(Br)c3F)CC[C@@H]21 2174809205 XKHNHZLUSZMPKB-GJZGRUSLSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC(=O)Nc2ccc(Br)cc2C#N)C1 2181155164 NFVHPYPSLHOLGI-UONOGXRCSA-N 436.350 4.590 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2200686345 LOWPVFQVWKDRII-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2235719499 FXYBUAKZNBSVCS-HKUYNNGSSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@H](N)C#Cc1ccccc1Br)C2 2235724932 WGSMJNADRKEERZ-LJQANCHMSA-N 433.390 4.555 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239649099 DSJPJKNFRVMRCA-HKUYNNGSSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](CNc2cc(Br)cnc2C#N)C[C@H]2CCCC[C@H]21 2240964836 AXLIEFYVYMDSQL-QIIPPGSGSA-N 435.366 4.696 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(F)c2)OC1(C)C 2241475413 XEZSUQIJLSIXGX-UHFFFAOYSA-N 445.343 4.968 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2F)no1 2296103251 YBYYMAIRTFNKED-OAQYLSRUSA-N 436.439 4.536 30 10 IJEE CCOc1ccc([C@@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 2296154633 QHCGQWKEZYLONQ-JOCHJYFZSA-N 444.443 4.754 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(C)c(I)c1 2296253025 FPSONCGVULFVJR-KRWDZBQOSA-N 440.122 4.674 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C)N1C(=O)OC(C)(C)C 2296289038 NPPHTRVXFQGZHP-AHRSYUTCSA-N 435.406 4.957 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cccc(C)c1I 2296309983 CSNVSLAIJVPOBI-INIZCTEOSA-N 440.122 4.674 30 10 IJEE COc1ccc(CN=C[C@@H]2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 2297736507 NJWWYXQNTHHZJM-FQEVSTJZSA-N 440.528 4.943 30 10 IJEE CCOc1cc(C=C2SC(=Nc3ccc(C(=O)O)cc3)N(C)C2=O)cc(Cl)c1OC 2313544018 ZBNKWIKXKOLIHN-UHFFFAOYSA-N 446.912 4.679 30 10 IJEE CCOc1cc(C=NN2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 2321708943 SWMMWLSPFAFNFL-UHFFFAOYSA-N 434.879 4.948 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)ccc2OC)cc1OCC(=O)Nc1ccccc1 2323176974 BSZHQRRHFRSTOD-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323200257 GETPJADGULYNFU-UHFFFAOYSA-N 445.427 4.812 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O)c3CN(C)C3CCN(C)CC3)C2=O)c2ccccc21 2324035148 NCKIJKRCRZZCFF-UHFFFAOYSA-N 445.563 4.509 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)C=Cc1ccc(C(=O)OC)cc1 2325815331 KYJITMVONSYZOA-HSZRJFAPSA-N 442.600 4.734 30 10 IJEE CCCOc1ccccc1C=Nn1c(C)nnc1SCc1ccc(C(=O)OC(C)C)o1 2326867560 QMRZPZNHUFUWRR-UHFFFAOYSA-N 442.541 4.708 30 10 IJEE CC(C)c1ccc(C=CC(=O)[C@@H]2CNCC[C@H]2NC(=O)c2ccc(-n3cccc3)cc2)cc1 2328215064 SEGBCQVXFKGYTA-CLJLJLNGSA-N 441.575 4.591 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2N=Cc2cccn2C)cc1 2328345659 WNCLXILJLQNCCK-UHFFFAOYSA-N 447.564 4.687 30 10 IJEE CCOc1c(C=Nn2c(Cc3ccc(Cl)cc3)nnc2SCC)cccc1OC 2329090228 VVSVTMQEHRBKDD-UHFFFAOYSA-N 430.961 4.924 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1cc(OC)ccc1OC 2329837162 OOZFTSWOYOQIOO-UHFFFAOYSA-N 426.517 4.576 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCCCO)n1N=Cc1cccc(Br)c1 2330132541 AXZFPJOUMYRPEW-OAHLLOKOSA-N 445.386 4.549 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(C)cc1 2331087251 MIPUFFZTBVDFPL-UHFFFAOYSA-N 427.618 4.867 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C2CCCC2)cc1 2331092786 GQIDTBSPMCCGFW-UHFFFAOYSA-N 430.574 4.508 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1OC 2331170235 IGVNHFGYYUVXSO-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2C)n1N=Cc1ccccc1F 2331327652 CNFRDYIUPRGNID-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 2331532324 IJNRHICNOCWHHQ-UHFFFAOYSA-N 436.395 4.643 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2F)cc1 2331684485 HWGHTZQWJOBRPI-UHFFFAOYSA-N 443.523 4.855 30 10 IJEE CN[C@@H](C#Cc1nc(C)cs1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2338373263 ZXYJOSCACRZOTG-HNNXBMFYSA-N 436.375 4.873 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339578980 OQYCTPPLGSQZAO-QGUQWCRPSA-N 444.381 4.608 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC12CC(Oc1ccc(C=CB3OC(C)(C)C(C)(C)O3)cn1)C2 2339593213 CAEFZESUCMKIMC-JZGPVCMCSA-N 442.365 4.551 30 10 IJEE Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)c1 3042790 WNKJDXNVJNVUTE-QYQHSDTDSA-N 432.524 4.680 30 10 IJEE COc1cccc(CN/C(=N\C(=S)Nc2cccc(C)c2C)Nc2nc(C)cc(C)n2)c1 14156106 VSAIEMHAZYCFRQ-UHFFFAOYSA-N 448.596 4.674 30 10 IJEE COc1ccc(Cl)cc1NC(=S)/N=C(\Nc1nc(C)cc(C)n1)NC1CCCCC1 14156465 VMXVBFQHZTYWSF-UHFFFAOYSA-N 447.008 4.843 30 10 IJEE CCCc1nc2sc(C(=O)Nc3ccccc3)c(C)c2c(=O)n1Cc1cccc(C#N)c1 96530128 FAEXODHRYATHCU-UHFFFAOYSA-N 442.544 4.891 30 10 IJEE CCCOc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 103089009 QBPJPOLIVOYSBP-UGUGFTGJSA-N 446.478 4.631 30 10 IJEE CCCCCCCCc1ccccc1CCC(NC(C)=O)(C(=O)OCC)C(=O)OCC 137261635 UEIHAILXRQTCCJ-UHFFFAOYSA-N 433.589 4.523 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169922054 UFBPBQZXYAXSAG-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2F)c1 169971423 TYUWXCLGNZWCMS-HSZRJFAPSA-N 447.437 4.991 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccn2)c1 169997992 ZSHDEKJBXHQRKT-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)cc1 170015416 CIXBCGKOEQODAV-HSZRJFAPSA-N 439.471 4.677 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCOC)cc1 170034352 PIDQFMCEKRSVEW-HSZRJFAPSA-N 437.536 4.653 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1c[nH]c2ccccc12 170074974 BUXFVGIJRXTQGG-VWLOTQADSA-N 438.483 4.975 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCCC2)cc1 170114813 MXWIKLYARCBZRL-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OCC)c1 170127709 LAWMXFZTKKUFGI-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(OC(F)(F)F)cc3)=C(c3ccccc3)C2=O)cc1 170129153 IRAANLAOVSUBGB-UHFFFAOYSA-N 449.388 4.853 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1 170132775 FAGTUPZZSRRCIF-HSZRJFAPSA-N 429.472 4.964 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(C)c2)c1 170143146 FRCGQHANNGWIIK-GGAORHGYSA-N 435.520 4.541 30 10 IJEE Cc1ccc(-c2nc(C3=C(N)N(c4ccc(C(=O)OC(C)C)cc4)CC3=O)sc2C)cc1 170179358 FOEGUHBZWRZUIB-UHFFFAOYSA-N 447.560 4.709 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccnc1 170191133 IXNRRXZVRWPITB-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)cc1C 170233708 QSFHGVCMDZRURG-QHCPKHFHSA-N 437.536 4.787 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 170244807 GRGHRGMFHVPRTO-HSZRJFAPSA-N 437.536 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccco2)cc1C 170282085 ZMGNZOJCRLFHKR-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccco2)cc1C 170292458 YSYWLJQGRPLESA-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(C)o2)cc1 170297769 PGMXLRCJZFTNSF-QFIPXVFZSA-N 433.460 4.778 30 10 IJEE N#Cc1c(F)cccc1C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 427809317 ULXHOQXCPQZHBO-QGZVFWFLSA-N 446.322 4.949 30 10 IJEE C=CCN(C(=O)c1cc(C)c(CC)o1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 471085857 KFCVECMJACPUNQ-UHFFFAOYSA-N 430.551 4.510 30 10 IJEE C=C(C)Cn1c(Cc2cccc3ccccc23)nnc1N1CCC(C(=O)N(CC)CC)CC1 549693286 JOOHOQTYFOMEAI-UHFFFAOYSA-N 445.611 4.683 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC(OCC(C)C)CC1 555254290 GLZQFPREIWMYOH-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 571527419 KCXOUOMOGIZETD-GOSISDBHSA-N 438.601 4.557 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(c2cnn(CC)c2)CC1 579568690 YOZMTMSSMWUMKV-UHFFFAOYSA-N 434.588 4.650 30 10 IJEE C=CCn1c([C@H]2COCCO2)nnc1N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C 584022187 BWQDCBSMWMMIGE-XMMPIXPASA-N 448.567 4.643 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C 589978586 GXPIJZFUGRNCIX-HXUWFJFHSA-N 431.001 4.916 30 10 IJEE N#Cc1cccc(OCCCCC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1 609515521 FBTAFFUGHMYMEU-JOCHJYFZSA-N 443.950 4.853 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCc2ccc(Br)cc21 698371806 GGGZMPCGVALOII-NRFANRHFSA-N 436.394 4.693 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)CCO2)c1 761826102 YMZDUKGBQJMXIG-GOSISDBHSA-N 439.821 4.758 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(C2CC2)C(=S)N[C@@H]1c1ncc(C(F)(F)F)s1 788477651 XFHYSOSYZMADDP-HNNXBMFYSA-N 441.475 4.695 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(c2ccc(C)cc2)CC1 809890543 DGDZLFXOGYVPOB-UHFFFAOYSA-N 426.568 4.561 30 10 IJEE C#C[C@H](NCc1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1)c1ccc(F)cc1 812794204 UVIBRRBFNROZHN-QHCPKHFHSA-N 432.495 4.706 30 10 IJEE CCOc1cc(C=NNCc2ccccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 1084233322 QFBWQFOJFALROO-UHFFFAOYSA-N 435.480 4.705 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2cccc(OC(C)C)c2)c(C(=O)OCC)c1C 1124756037 APLWKUALKCZZHK-UHFFFAOYSA-N 445.537 4.544 30 10 IJEE C=CCc1cc(C(=O)Oc2ccc(NC(=O)c3cccnc3)cc2C)cc(OC)c1OC 1128394075 XXPLHKTUSSZLFC-UHFFFAOYSA-N 432.476 4.607 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)c1ccc(Cl)cc1 1129722212 JRJYVZDQUAQLBQ-MRXNPFEDSA-N 434.746 4.513 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1129819049 GHCLPVWHFOVTGU-FYYLOGMGSA-N 427.470 4.506 30 10 IJEE N#Cc1cccc(NC(=O)Cn2c(-c3ccccc3)nc3ccccc32)c1Br 1130068227 HEQCJWFDHZEZJF-UHFFFAOYSA-N 431.293 4.976 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 1140935578 PIWOPGYMFAFBEM-UXHICEINSA-N 426.561 4.866 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 1154416477 HJKQDSIDSDPZQW-UHFFFAOYSA-N 436.936 4.756 30 10 IJEE C#CCN(Cc1ccncc1Br)[C@@H]1CCOc2ccc(Br)cc21 1167421488 UVNOQOSQYINXTL-QGZVFWFLSA-N 436.147 4.566 30 10 IJEE C=CCNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CCC)CC[C@H](C(C)(C)C)C3 1188037586 DEVQXZOVARTRPJ-CABCVRRESA-N 447.670 4.802 30 10 IJEE CC[C@@](C)(COc1ncccc1Cl)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 1192334006 FRXHHDLFVUYAJP-QFIPXVFZSA-N 449.382 4.781 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 1201314963 WHBLFJIMZDTSMI-UHFFFAOYSA-N 447.551 4.633 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(CCC(=O)OC)c1 1219960498 PLJFXGFIRBNXRH-UHFFFAOYSA-N 449.320 4.914 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 1221986466 FOHGBJRJZPTIIT-UHFFFAOYSA-N 448.542 4.870 30 10 IJEE C#CCN(C(=O)NC1CCC2(CCCCC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1234229653 QOXCZYFSDHLNKX-UHFFFAOYSA-N 431.621 4.924 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@]1(c2ccccc2)CCCO1 1251202629 ZQKYLPNBMHDZDY-JOCHJYFZSA-N 447.348 4.992 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccn(CCC(F)(F)F)n2)cc1 1264691782 FQMMWBJUBHWLDL-UHFFFAOYSA-N 430.405 4.689 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)cc1 1264800859 IAKYFHCZXURUDL-VWLOTQADSA-N 431.580 4.802 30 10 IJEE COc1ccc(C[C@H](C)CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1OC 1267130360 APMMXYFCZLXIFH-IBGZPJMESA-N 444.531 4.763 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCc2nc(-c3ccc(OCC)cc3)no2)C(F)(F)F)cc1 1272443651 MMERCHWOALKFBU-NRFANRHFSA-N 444.409 4.896 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1CCCC1(C)C 1286547722 QDUBOUDXZVFRHG-UHFFFAOYSA-N 437.407 4.866 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)Cc1cnc(C)s1 1286558956 SDOBKSFXVUCXBI-REWPJTCUSA-N 437.613 4.560 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1C1CC1 1286561907 HHIQJRCTBIOUAI-SLWXAUBPSA-N 430.980 4.978 30 10 IJEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)Oc1ccc(OCC)cc1 1286598720 APUDIIGXNYRPGN-KXBFYZLASA-N 444.486 4.913 30 10 IJEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1286644196 MTPUANRFRCHCOV-KRWDZBQOSA-N 430.325 4.903 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1286647693 KNJFCOBXPZJSEA-JOCHJYFZSA-N 425.621 4.607 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1286666609 KIPYDTHQAWOYDE-GHTZIAJQSA-N 439.604 4.615 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286667372 KJZHFNVZWRCVDJ-OAQYLSRUSA-N 448.615 4.550 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286672283 KVYPCQOVQAPCIQ-UHFFFAOYSA-N 429.653 4.698 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1286708216 QUNDVPVINGZTKR-FQEVSTJZSA-N 437.975 4.655 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCN1CCC 1286719612 ABJLDFUQZUGXKI-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCCCCC[C@@H]21 1286782632 AMWNXBWONQQXHE-BEFAXECRSA-N 448.398 4.713 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1291085500 CFGXPHJCEHAQSK-GTCCEBARSA-N 431.943 4.636 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 1293501993 FCICNQJPSWMKDU-JCOAXYOVSA-N 446.613 4.513 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCc1cccs1 1300336351 DKIDFOCHCQJDMC-UHFFFAOYSA-N 435.597 4.691 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1300423415 OXCBRQQRTHBKJO-QZTJIDSGSA-N 431.005 4.500 30 10 IJEE C#CCSCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](CC)c1ccccc1 1300778371 UDMAMJLPOLASMO-MOPGFXCFSA-N 442.539 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1300885879 SUSAMQPXGHPDHT-BKULYWANSA-N 438.616 4.896 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCCO1 1300888149 IGIPDRQHYACCOU-LSWJPFSZSA-N 445.007 4.509 30 10 IJEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCc2ccccc2F)CC1 1300957312 SKFBBRBPDCEUHZ-UHFFFAOYSA-N 441.576 4.535 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cccs1)c1ccccc1 1301002914 AGEBWEOJJGQYTI-SFHVURJKSA-N 444.564 4.898 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccn1)c1ccccc1 1301009608 BBKMQNYMBZTWQP-DHIUTWEWSA-N 431.584 4.942 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC(C)(C)c1ccccn1 1301350997 FZAJVMYJYCQKSF-UHFFFAOYSA-N 444.558 4.988 30 10 IJEE CC(C)N(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1)C(C)C 1303295383 DGHZWXUFLJZVGR-ISKFKSNPSA-N 434.632 4.952 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@H]1C 1303908350 BVZQENPUYIMFDJ-FSTVOOFJSA-N 431.943 4.950 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN(C)C2CCCC2)c1 1304626917 IFINSOQAXFEKTO-UHFFFAOYSA-N 434.613 4.698 30 10 IJEE C[C@H]1CCCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)C1 1305022277 AQWADOIPOBEDEZ-IRXDYDNUSA-N 444.986 4.598 30 10 IJEE CC(C)(CN1CCCC1)NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1310923651 FHTBPGAAEQXKFD-UHFFFAOYSA-N 429.380 4.972 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 1350249383 BTNOKPNHFBRGJW-XMMPIXPASA-N 427.500 4.596 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2(C)CCCC2)ccc1Cl 1352624424 HIEYCLZOQFTSTG-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 1354710823 HEEBVMJQQKWOHU-UHFFFAOYSA-N 437.858 4.542 30 10 IJEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(CCC(F)(F)F)CC1CC1 1358932361 IEWLBYCDASNBPO-UHFFFAOYSA-N 429.490 4.932 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)SC 1358987905 WZBPZSUQFFCLBZ-UHFFFAOYSA-N 426.655 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)c1ncc(C)s1 1359074219 VOSMMRXMYOAWQA-WAIKUNEKSA-N 439.560 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1-n1nc(C)cc1C 1359112877 VAXHGAGYHDJBTQ-QHCPKHFHSA-N 434.588 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1N(C)CCCC1(C)C 1359116427 KRMJNCNKXYACJB-NJDAHSKKSA-N 431.669 4.720 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC(C)CC2)CC1 1359176095 MAJMMIAXLGQUFK-UHFFFAOYSA-N 432.616 4.731 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359190235 JEDIKDPPBOBCOP-UHFFFAOYSA-N 444.627 4.810 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1Cc1ncc(CC)s1 1359260673 LBVGLBDKBDFLSX-UHFFFAOYSA-N 448.571 4.663 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1Cc1ccc(Oc2cccc(F)c2)nc1 1359276350 ZUTYXMJFNDNQMD-UHFFFAOYSA-N 433.487 4.789 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1359338718 FILUWPIUAWDORR-FQEVSTJZSA-N 446.523 4.622 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 1360164125 PCPDRHOCPVJWQH-LJQANCHMSA-N 448.441 4.922 30 10 IJEE CCCn1c(=O)n(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c2ccccc21 1434914487 CUEAAVZQXOWTLF-UHFFFAOYSA-N 440.503 4.906 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 1435004640 JXBQPDJRCHRPPN-UHFFFAOYSA-N 428.473 4.670 30 10 IJEE CC(C)(C)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n(-c2ccc(C#N)cc2)n1 1436220628 AGCBPMIIYCUFNU-QFIPXVFZSA-N 444.535 4.852 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 1436648425 KJHSSPJYOZOHST-RBUKOAKNSA-N 435.738 4.742 30 10 IJEE CC1(C)OB(C2CCN(C(=O)CCCc3ccc(Br)s3)CC2)OC1(C)C 1455327266 MGFNNICKGNRVAF-UHFFFAOYSA-N 442.228 4.918 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4c(Cl)cc(Cl)cc4[C@H]3C)cc2C1=O 1457615946 FVLYSCMCCYYFQV-GFCCVEGCSA-N 429.303 4.535 30 10 IJEE C=CC[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 1459457120 YTAAVUVEVIHWSZ-GOSISDBHSA-N 437.279 4.882 30 10 IJEE C=C[C@@H](C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)c1)c1ccccc1 1464088194 NVFOAQKAGJLJAN-GOSISDBHSA-N 443.425 4.976 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC([C@@H](CC(=O)OCC)c3ccccc3)CC2)cc1 1464258589 UJFMCZQYRYUNHL-VWLOTQADSA-N 435.564 4.770 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1ccc(Cl)cc1 1466634257 PGINNZVLVDSBBA-HSZRJFAPSA-N 443.934 4.968 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC1(c2ccccc2)CCOCC1 1466816721 MDHJNFASARNYTE-UHFFFAOYSA-N 445.357 4.884 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1471591088 PMSMAGKLMMZQPI-OFNKIYASSA-N 439.600 4.746 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 1472286203 QQYSMKBKVKFRAA-UHFFFAOYSA-N 444.434 4.740 30 10 IJEE C=CCn1c(Sc2cc(Br)ccc2C#N)nnc1-c1ccc(OC)cc1 1472647412 JXUMMSLKWPDGKF-UHFFFAOYSA-N 427.327 4.925 30 10 IJEE C=CCCn1cc(CN[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)nn1 1474164479 RMQIWTKLBKYFNR-LJQANCHMSA-N 427.549 4.593 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cnn(-c2ccc(F)cc2F)c1C 1476821704 QJSQBBZSXCQBOX-UHFFFAOYSA-N 428.487 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC[C@@H]1C 1507517913 ROEKGZVNAXAATF-LWYYNNOASA-N 445.007 4.819 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N(C)Cc1csc(CC)n1 1507563693 ZPFUUCRJIAJSRH-UHFFFAOYSA-N 430.581 4.952 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1507606639 SIZXGMJAJWDSPH-KBMIEXCESA-N 439.673 4.855 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCc1cccc(C)n1 1507680076 WVLBYHIZZCNNCF-QFIPXVFZSA-N 431.584 4.831 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(F)(F)F)cs1 1507682741 UVCYDAYPDZKFNL-UHFFFAOYSA-N 431.443 4.674 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1507796838 QUEYRDDENSHSKC-TZIWHRDSSA-N 425.964 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCc2cc(OC)ccc21 1507821692 JELWBBWCTLLDCU-QFIPXVFZSA-N 448.615 4.671 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1507899502 JTWVYBKMWVEJTJ-QHCPKHFHSA-N 435.572 4.851 30 10 IJEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1507924722 SDDZPDGADJODPO-QGZVFWFLSA-N 443.382 4.938 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1507958340 BCXJPKSLMNMINX-HXUWFJFHSA-N 444.023 4.503 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccsc1 1507999019 KUSLGLGWZPCXHB-RUZDIDTESA-N 449.624 4.900 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCO[C@@H](C)C1 1508008215 LQIRLLQHBQUIDX-XUVXKRRUSA-N 430.618 4.631 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@](C)(O)C1CCCCC1 1508009638 VDYICKPVABZFPN-DEOSSOPVSA-N 437.613 4.926 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@H](C)C1)C(C)C 1508013781 QXKKRRCXGYSEBU-YTFSRNRJSA-N 429.653 4.845 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](OC)C(C)(C)C 1508038582 UOUCKTNMJKEGMT-DYESRHJHSA-N 446.661 4.831 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC=C(COC)CC1 1508151141 VSAVAZFXRBNJLM-KRWDZBQOSA-N 444.670 4.834 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)no2)cc1 1514572095 IEGRDZJRBDTWNP-UHFFFAOYSA-N 426.432 4.970 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(Br)cc(N(C)C)c2)cc1 1517878802 LILRUTNYJABTKL-UHFFFAOYSA-N 431.330 4.777 30 10 IJEE C#CCN(C(=O)CCOc1ccc(C)cc1C)[C@H]1CCOc2ccc(Br)cc21 1521818511 GGNZDPVDFIMCCZ-FQEVSTJZSA-N 442.353 4.820 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C/c1scnc1C)c1ccc2c(c1)OCO2 1523443726 OINTWPFGNFCCGR-ZHACJKMWSA-N 434.517 4.992 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 1525050092 LFZNRBXCJMAONW-LBPRGKRZSA-N 439.291 4.890 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 1526039086 LTKALZIXLJLYLW-UHFFFAOYSA-N 435.936 4.991 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 1531575296 NATXCHIJTSTXBQ-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1 1534343965 KYQWUKLUQFVHBK-CTNGQTDRSA-N 442.506 4.964 30 10 IJEE N#Cc1nc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)ccc1Br 1537244904 GRILXWSTMWSEOS-UHFFFAOYSA-N 445.367 4.610 30 10 IJEE C=CCOCCCC(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1537491760 NJEPOBFAFLWRCG-UHFFFAOYSA-N 427.204 4.540 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCCC1(F)F 1539155381 SRAYKRSVVOHSRN-ZDUSSCGKSA-N 441.295 4.742 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN(C(C)C)C(C)C 1539305852 RIAVJIMUDZFTSZ-UHFFFAOYSA-N 433.644 4.824 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC=CCC1 1539608856 FQZDEJKVGPJFGI-UHFFFAOYSA-N 425.783 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H](C)CCC 1539619452 FWZHSLPWAPVSHN-DSKINZAPSA-N 427.549 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCc1cnn(C)c1 1539655451 MAQFPHXHFOJZJJ-SFHVURJKSA-N 438.645 4.900 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1539790331 HOUFZPMLVYATIL-SFHVURJKSA-N 438.988 4.972 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(c2ccnn2C)CC1 1539909671 OPMBKSRJWXLEEJ-UHFFFAOYSA-N 439.995 4.713 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccccc2CC1 1539952824 KEPOHHUKUHHMQL-UHFFFAOYSA-N 440.389 4.997 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(CC)CCC1)C1CC1 1540116174 NWVSITLOYJJYOO-HDICACEKSA-N 429.609 4.784 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1540133473 JWNWTIFMBSRNAQ-LJQANCHMSA-N 427.593 4.536 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 1542656267 YLPLNRCDXBRODQ-HXUWFJFHSA-N 427.545 4.558 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2c(C)nc3ccc(Br)cn23)C(F)(F)F)cc1 1544661596 QJOVBXOHPXXESP-KRWDZBQOSA-N 437.215 4.847 30 10 IJEE C#CCN(C(=O)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)n1C)C1CCCCC1 1544802041 BEZKQCYDWWXPAD-NRFANRHFSA-N 427.589 4.895 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nnc(C)s1 1544983318 SVXUPBZRUXXISM-NRFANRHFSA-N 448.548 4.659 30 10 IJEE COC1(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1554707132 HEHKNALHCYICFY-LJQANCHMSA-N 438.334 4.653 30 10 IJEE O=C(c1ncoc1C(F)(F)F)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 1556372573 ICUIFWQWAPHMNT-UHFFFAOYSA-N 426.288 4.693 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)c1ccc(Cl)cc1F 1556559571 KYMLDAGNIJTZGS-WOJBJXKFSA-N 430.907 4.844 30 10 IJEE C=CCn1c(S[C@@H]([C@H]2CCOC2)C(F)(F)F)nc2sc3c(c2c1=O)CCCC3 1559330801 QJCBRYDOSUCWFG-NHYWBVRUSA-N 430.517 4.582 30 10 IJEE C#CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1559544948 LPDVQDWOHMPULA-GOSISDBHSA-N 435.705 4.970 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc(OC)c1OC 1561182676 FTNNBJOAAIUHBX-UHFFFAOYSA-N 449.878 4.583 30 10 IJEE COCC[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1561560991 CADRAQOAMPCJKN-KRWDZBQOSA-N 433.744 4.575 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 1562255408 BQHHRBWBASIXLU-IIBYNOLFSA-N 430.911 4.564 30 10 IJEE C=CCC[C@H](NC(=O)Nc1ccc2c(c1F)CCNC2=O)c1ccc(C(F)(F)F)cc1 1562788729 KBSIHZFHBWRKBO-KRWDZBQOSA-N 435.421 4.959 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)N1CCc2ccccc21 1563849410 LBOCLLXUBQYSMX-MRXNPFEDSA-N 446.364 4.737 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CC[C@H]1[C@H](C)n2nccc2N[C@@H]1C 1584443446 QOAKIYSUXORGLW-RVKKMQEKSA-N 449.368 4.771 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(C)c(Br)cc2CC)cc1OC 1586113839 XFFFSOYOYSWNFO-NTMALXAHSA-N 431.330 4.940 30 10 IJEE C#CCN(CC(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 1587528821 YSNUNAKHFKGXCX-QFIPXVFZSA-N 444.934 4.897 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCC1CCOCC1 1587580350 OUWFLQBYWKKREJ-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 1587820139 GEQDALWIMVBVGN-FQEVSTJZSA-N 426.561 4.519 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1587921806 JRXDEFRVEFOJHD-WIOPSUGQSA-N 445.611 4.873 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1589296606 VITPHUWOLUCNGI-ZSGPHXLJSA-N 435.341 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(CCC(F)(F)F)CC1CC1 1589528712 IIUPGZFUVKMVPS-OTWHNJEPSA-N 442.526 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1589556143 AEZKKOMGFHGHTR-LGVFNWMJSA-N 438.616 4.753 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@](C)(C#N)C1 1593711795 IUFCGWVHEOBJTK-KOSHJBKYSA-N 439.629 4.854 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(C(C)C)n2)CC1 1594035618 LUACEEGJCNNVEF-UHFFFAOYSA-N 438.557 4.832 30 10 IJEE C=CC[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 1594545572 UPTHBHROOUWDFR-NZQKXSOJSA-N 435.616 4.599 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)[C@H](C)CC 1595184878 FJBXTFFPNYEWIX-AUUYWEPGSA-N 439.423 4.745 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(-c2cccc(Cl)c2)nc1O 1595534101 BQWCXTHINVMLNB-UHFFFAOYSA-N 429.867 4.726 30 10 IJEE Cc1ccc([C@@H]2NC(=S)N[C@@H](c3ccc(C)cc3)C2(C#N)C(=O)c2ccccc2)cc1 1614015157 QOGWIFYVHNLSCM-GOTSBHOMSA-N 425.557 4.956 30 10 IJEE N#Cc1ccc(NC(=O)CCN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1Cl 1617161730 CCKCFPFLLOOWBN-IBGZPJMESA-N 437.849 4.633 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 1617466438 PUDZIYMKXOLSMX-WMZOPIPTSA-N 426.542 4.523 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1618706477 QQSBAKGMFVMUAP-GPZRYRNASA-N 448.748 4.508 30 10 IJEE CO[C@@H](C)c1nc(Cn2c(-c3ccccc3C)nnc2N2CCC[C@](C)(C#N)C2)cs1 1618925192 BPOKDXOVMKWPNZ-GAJHUEQPSA-N 436.585 4.596 30 10 IJEE COc1ccc2c(c1)CN(S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](c1ccccc1)C2 1621911901 GAPPXUMHCKNIPM-JOCHJYFZSA-N 438.936 4.709 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(F)(F)C1 1632660216 GLEGPDVXZDSQSL-FQEVSTJZSA-N 446.881 4.514 30 10 IJEE C#CCN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@@H]1CCCc2ccccc21 1635885401 ULIUZMQCDFVWDK-LJQANCHMSA-N 434.337 4.992 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 1636893190 YVNKZRILJKDDHX-GIVPXCGWSA-N 428.577 4.520 30 10 IJEE C=CCC1(NC(=O)NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CCCCC1 1638561412 XLIPSURTSYFXEB-HXUWFJFHSA-N 433.515 4.897 30 10 IJEE C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 1645825138 GCUKPAHCQCOVGF-BFUOFWGJSA-N 437.849 4.631 30 10 IJEE N#Cc1cnc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c(Br)c1 1650636602 CPVZGWRMJJXZRY-IBGZPJMESA-N 439.382 4.989 30 10 IJEE C#C[C@H](Nc1ncnc(C(F)(F)F)c1Br)c1ccc(Br)cc1 1651098416 BMEHCEFIVQTTAP-JTQLQIEISA-N 435.041 4.807 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CC=C)CCCCC3 1651548762 OTJIICDFESVUBD-INIZCTEOSA-N 443.638 4.594 30 10 IJEE C#CCCOc1ccc(CNC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 1651712615 QZHQFWLHRFSCKX-LJQANCHMSA-N 431.376 4.647 30 10 IJEE COc1cc([C@@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC1CCCC1 1653085863 BRKNZWRKTBWNOO-OAHLLOKOSA-N 427.932 4.831 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 1659891398 XQAQCJVJXUTHRK-UHFFFAOYSA-N 431.418 4.828 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 1659979647 DQQWXLBOQDYIHT-UHFFFAOYSA-N 443.418 4.820 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1 1661279023 AAPZQBIZJOAYKY-UHFFFAOYSA-N 443.290 4.909 30 10 IJEE CC(C)[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1Cl 1668957943 GOPQMDWHZMHIIJ-IRZJEQJZSA-N 426.948 4.993 30 10 IJEE O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N1CCc2ccc(F)c(F)c2C1 1670426452 BYZOSGQAOLFIPG-INIZCTEOSA-N 436.327 4.938 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCCC[C@@H]3c3ccc(Cl)cc3)CC2)cn1 1672633008 BLQTVUQUJXAMFT-DHIUTWEWSA-N 437.975 4.555 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 1680893340 TVMWFRGZPFUVKK-ILBGXUMGSA-N 432.564 4.834 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1681165655 FZQIJMQEWRJZJR-AWEZNQCLSA-N 449.951 4.744 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(F)c(F)c1 1681556943 OLLMGAALOFWPLM-KNBMTAEXSA-N 437.531 4.774 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C2)c1ccc(F)c(F)c1 1681557190 QWQBVNDAYUKLEG-CNVJLJKISA-N 435.515 4.669 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 1684146125 KXRCXGZXIPPIQT-UHFFFAOYSA-N 425.548 4.839 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1685392249 MUNUGAWGACJBBG-GOSISDBHSA-N 444.432 4.857 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(-c2ccsc2)nc1 1689839791 MQDCDHPQTCZDKJ-HNNXBMFYSA-N 434.956 4.623 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cscc1C(F)(F)F 1689858027 GUDSCYVPGISCPV-OAHLLOKOSA-N 448.514 4.658 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](CC(C)C)C1 1689875584 WGJNTESPAGIOID-HXUWFJFHSA-N 442.007 4.537 30 10 IJEE C#CCCCCn1c(COCC)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1689904026 HZAOMTYPFBVGQC-MRXNPFEDSA-N 431.378 4.504 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C1CCC(C)CC1 1689930549 UPOWOGOKSKFQOX-UHFFFAOYSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690028124 LFEILLHAPSMSMI-REPLKXPHSA-N 443.016 4.500 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC(CN(C)C(C)C)CC1 1690167900 PSGUQCYWUJKNIL-UHFFFAOYSA-N 446.064 4.522 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](CC)C1 1690240100 BRETTWXBXPXEIB-PUHATCMVSA-N 438.616 4.839 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccccc1OCC(F)(F)F 1690261313 HGNHPKHPFPWSPN-UHFFFAOYSA-N 431.462 4.732 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N1CCC(C)CC1 1690271484 QQVBXTVUHXUUDH-JOCHJYFZSA-N 425.621 4.688 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCO[C@H](C)c2ccccc2)CC1 1690413142 IIPYXMBVTMKRGW-OAQYLSRUSA-N 431.584 4.834 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1Cc2cccc(Br)c2C1 1690489162 ZIPFOPGNFCUARQ-UHFFFAOYSA-N 444.402 4.883 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1690538960 SYAXKAXHYCEFAS-CABCVRRESA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CC=CCC1 1690555906 HGPIXJPVZONGNT-NRFANRHFSA-N 429.568 4.821 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690563557 WHDZIZZUOYLKTK-VSKRKVRLSA-N 439.648 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1ccc(OC)cc1 1690579858 VJRWHSMWJGJUAQ-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCC(F)(F)C2)C1 1690712341 SZJIQHBWVBDYJE-ICSRJNTNSA-N 446.542 4.636 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1690733522 GXIWYQWTINHVPC-UWJYYQICSA-N 432.609 4.800 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(C)C)CC1 1705510799 YOYITCFNNZVGNH-FQEVSTJZSA-N 444.023 4.653 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705526613 ISPRSAHBHHEENP-RBUKOAKNSA-N 425.646 4.608 30 10 IJEE C=CCCCn1c(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)nnc1C(C)(C)C 1705824155 IEQCRAOKFAJPML-FQEVSTJZSA-N 438.620 4.888 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCc2cccc(C)n2)c1 1707726289 FBLVBNMLHWZJHL-UHFFFAOYSA-N 428.565 4.769 30 10 IJEE CC[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)OC 1708772352 DOBHNNYHRSSPJZ-LPHOPBHVSA-N 431.968 4.627 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1722308550 NRPVZPRWJPXZJI-HMXCVIKNSA-N 443.636 4.725 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@H](c1cccnc1)C(C)C 1722474855 RZNXADLMHCWCHW-SHQCIBLASA-N 443.595 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C)C1 1722583585 PLBYNKYXTJDCQA-KRWDZBQOSA-N 429.996 4.700 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CCC 1722587796 ALBPYWDNLLSTCK-OALUTQOASA-N 449.640 4.814 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@@H](C2CCC2)C1 1722602054 OQUARKIATHYEIR-FQEVSTJZSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1722658195 GRHKGXCAPPYGJM-UHFFFAOYSA-N 437.588 4.600 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnc(C)s1 1722662496 YTQWNXVBUVSBHU-UHFFFAOYSA-N 432.578 4.884 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1722671080 IFEIQRBTMOAZTM-RZUBCFFCSA-N 441.645 4.843 30 10 IJEE Cc1noc(C)c1[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 1726419351 BUYHSGCEGZPSEG-BVZFJXPGSA-N 432.572 4.602 30 10 IJEE CO[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1)C(C)(C)C 1729861779 BQUDPACUXCJEDB-OXJNMPFZSA-N 445.995 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCCCN1CC 1740558620 UIWVRLHBVRIDBM-FCHUYYIVSA-N 437.632 4.621 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1csc(C)n1 1740604200 ALYUZAQVJTZIOV-UHFFFAOYSA-N 437.569 4.890 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CC1(CCOCC)CCC1 1740675823 IVDYJSLATFPHBJ-UHFFFAOYSA-N 426.580 4.951 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H]1C1CCC1 1740748419 GEAFNTOASWTMFA-KRWDZBQOSA-N 447.377 4.543 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCN1CC 1740770946 MHVODZVMYKWMCO-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]1CSC 1740778854 VBFHDIMFLDAMQP-CQSZACIVSA-N 437.407 4.624 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1740793131 PVHGHASWSGOXDH-HXUWFJFHSA-N 442.579 4.698 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(c2ccccc2)CC1 1740860354 AVPLBXSMKDEISJ-UHFFFAOYSA-N 437.975 4.838 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCC(=O)NC1CCCCC1 1740905399 VLHBIBLZFABZBM-UHFFFAOYSA-N 448.036 4.685 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CC[C@@H](C)C2)cc1C 1742247003 HLLQURHWPCRYDI-DYESRHJHSA-N 434.588 4.714 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1748660656 VYYIZTKHUKWFGR-OAHLLOKOSA-N 439.350 4.714 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H](c1ccsc1)N(CC)CC 1748677059 BSMPNEZRSUYCTA-GCJKJVERSA-N 439.604 4.611 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)OC(C)(C)C1 1748703361 ZGDCDGRENJGNKL-AWEZNQCLSA-N 437.407 4.576 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@H]1CC 1748760318 ZTKLGMLMEJALLP-SJLPKXTDSA-N 431.378 4.658 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1nccs1 1748907106 FVKTYBACRGCWPX-QGZVFWFLSA-N 444.004 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)C(C)C 1749122595 YJCNGWBZKREZPN-PBHICJAKSA-N 439.423 4.985 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2ccnc2C)CC1 1749328748 BIVICPOEZYAXBQ-SFHVURJKSA-N 438.551 4.555 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCO[C@H](C(C)C)C1 1749414243 CNHCGGMWSWXLSJ-IBGZPJMESA-N 449.393 4.544 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)[C@H]1C 1749448888 DIRAGCDHEBTFMC-HUUCEWRRSA-N 437.357 4.674 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(SC)CCN(C)CC1 1749473844 RSSSPCZWYZXXQJ-UHFFFAOYSA-N 445.702 4.725 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)CN1CCCCC1 1749539121 UHANIDUTYLUNRB-LADGPHEKSA-N 437.632 4.834 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1760156921 XRYHFWZHIQHFOB-UHFFFAOYSA-N 432.593 4.638 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1760315162 AXBFMLVLZQTQDW-UGNRZPKXSA-N 443.979 4.791 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](CC)C1 1760317435 GASGCCLAPBQLLO-HQRMLTQVSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCN1CCC 1760330563 HMAGUFANUJTFSJ-NRFANRHFSA-N 433.604 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(F)cc1F 1760333188 BMBCPDGTENQOAH-AVRDEDQJSA-N 439.510 4.544 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1760406878 ONUNAZRIKTZIES-IAGOWNOFSA-N 446.979 4.673 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1760423279 VAQDBKUYFDTYIY-HXUWFJFHSA-N 426.483 4.733 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccc(NC(C)=O)nc1)C1CC1 1760469947 SBWSOMYDFBXFPV-UHFFFAOYSA-N 444.583 4.799 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1760486520 QPOBCWFSAQVBMT-IBGZPJMESA-N 445.633 4.959 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(F)(F)CC1)C(C)C 1760488528 XSQABTZKEBLSOM-LJQANCHMSA-N 433.547 4.781 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccsc1 1760559420 OKFFJKVKYKVDPE-UHFFFAOYSA-N 441.626 4.764 30 10 IJEE CC[C@H](C)N(C)CCn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1762013936 HPQLYPFFKJIAHI-FQEVSTJZSA-N 434.632 4.762 30 10 IJEE CN([C@H](C#N)c1cccc(Br)c1)S(=O)(=O)c1ccc(OC2CCCC2)cc1 1857960525 LQLHSUKZCRXUNT-HXUWFJFHSA-N 449.370 4.656 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2[C@@H](C)CC)ccc1O 1862450454 HPVUFKCXZUJMLN-RBZFPXEDSA-N 429.900 4.821 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C2CCCCC2)cc1O 1862492205 LSRKKMMOAJGLDB-QHCPKHFHSA-N 435.520 4.929 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1862518252 FXVXNTDSRWJZIM-NRFANRHFSA-N 438.480 4.618 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccccc2C(=O)O)cc1 1862532342 BSHIPOPWNHNSTR-JOCHJYFZSA-N 433.504 4.858 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862536801 HWNAMPAFKJVQDI-LADGPHEKSA-N 449.547 4.795 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 1862593085 BYPQZIQOBSYPJA-JOCHJYFZSA-N 448.475 4.769 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 1862627424 MPPSGAPZVHAAHJ-GHNFSYLKSA-N 437.467 4.711 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc(O)c1 1862747965 WYHWUGOALUGVCM-NYHFZMIOSA-N 444.443 4.640 30 10 IJEE Cc1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862880089 VLPVXLXBMNMZRY-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2ccc(OC(C)C)cc2)C1=O 1863695796 ZQOHEAIUSYDMLT-CBKZDSQWSA-N 448.607 4.934 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC(c3ncncn3)CC2)nc(-c2ccccc2Cl)n1 1869242581 GGRCXVAEHGCLEY-UHFFFAOYSA-N 447.974 4.544 30 10 IJEE N#Cc1nnn(-c2ccc(C(F)(F)F)cc2)c1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 1870162471 UXTWSDRZKMUMMW-GJZGRUSLSA-N 431.805 4.553 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccc(F)cc1 1870348430 YAZQPCJUGZPWPE-UHFFFAOYSA-N 443.522 4.660 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1CCCN(C)C 1870471583 NEZDWVSHWUFEKJ-UHFFFAOYSA-N 437.628 4.676 30 10 IJEE C=CCn1cc(OCCCCCC)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1871124479 WWJIFLQMUBOANS-UHFFFAOYSA-N 430.545 4.631 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2cccnc2)cc1 1871250996 IENMAPSYMDNAHS-UHFFFAOYSA-N 436.515 4.663 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N2C[C@H](C)O[C@H](C)C2)n1 1871476414 OAFGEMPWQBLNEL-BGYRXZFFSA-N 426.609 4.732 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N(CC=C)CC=C)n1 1871734014 YBDWGYJDEQWZFK-UHFFFAOYSA-N 430.478 4.991 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 1871992251 WXROSDTULGZHSL-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1872133306 BMYOTZHMYDWJJZ-JOCHJYFZSA-N 428.598 4.986 30 10 IJEE Cc1nc2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)cc2nc1C 1872773872 ZVJUSAFQYAHZKX-QGZVFWFLSA-N 442.500 4.631 30 10 IJEE CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874215900 YOYDJLYGNKCFRD-UFFVCSGVSA-N 431.905 4.640 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874264715 LWVWTLVMBRXCMB-CIAFOILYSA-N 431.905 4.803 30 10 IJEE CCSc1nnc(CCc2ccccc2OC)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874313066 AVFLJPBLRSPWCJ-LPYMAVHISA-N 445.932 4.628 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2/N=C/c2ccc3c(c2)OCCO3)c1 1874461233 CTBACKXCVIVNBP-OPEKNORGSA-N 448.470 4.859 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cccc2ccccc12 1874463053 QZCUZVSULYAHSE-YSURURNPSA-N 436.459 4.624 30 10 IJEE CCc1ccc(/C=N/n2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)(C)C)cc1 1874485055 BUNJVEKEYRROTP-AFUMVMLFSA-N 446.580 4.961 30 10 IJEE Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874535651 QGLSYEXMLUXLFX-HKNSOBRKSA-N 448.379 4.745 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2cc(Br)cc(OC)c2OCCCO)cc1C 1874591632 UZFDDOLIJUXRAO-VOTSOKGWSA-N 449.341 4.740 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2ccccc2F)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1875117513 IYGODHRBKWZXRP-VZUCSPMQSA-N 436.351 4.757 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)c1cc(Cl)ccc1I 1922069294 PMKIUDAKNQIZCY-SFHVURJKSA-N 427.713 4.978 30 10 IJEE N#Cc1ccc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)s1 1951423085 ITWDWLIDGNKYFP-JOCHJYFZSA-N 432.501 4.544 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@H]1c2ccsc2CCN1C(=O)OC(C)(C)C 1990177328 QPLJGLHDRVLRNO-VXKWHMMOSA-N 428.598 4.943 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCN(C)C(=O)OC(C)(C)C)c1 2002702926 PFSXFZWXQKMFII-QHCPKHFHSA-N 433.549 4.976 30 10 IJEE C[C@]1(C2CC2)CSC(=Nc2ccc(Br)c(I)c2)N1 2029954559 NUYZLQPQRSYKTD-CYBMUJFWSA-N 437.144 4.546 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@](C#N)(N(C(=O)OC(C)(C)C)C1CCCCC1)CO2 2081984503 IVTUSQQBNPEFEP-BJKOFHAPSA-N 449.592 4.618 30 10 IJEE CCOc1ccc2c(c1)NC(=O)C2=NNc1ncnc2scc(-c3ccc(OC)cc3)c12 2087886363 VXCNNFPPGBKDRN-UHFFFAOYSA-N 445.504 4.534 30 10 IJEE CC1(C)OB(c2ccc(CNC3CC4(C3)CC(OCc3ccccc3)C4)cc2)OC1(C)C 2103998767 YLTJRLIRGSJLCJ-UHFFFAOYSA-N 433.401 4.603 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(C(C)C)[nH]c1Br 2159128724 VKANUCUHCBQQBP-HUUCEWRRSA-N 441.414 4.643 30 10 IJEE FC(F)(F)C[C@H]1CNC(=NCc2cc(Br)ccc2Br)S1 2175696136 YGCDXOFKMOBDJK-VIFPVBQESA-N 432.103 4.725 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1N(c2cc(Br)cc(F)c2C#N)CCCC1(C)C 2184383826 ZITWNIHXSPOCIS-QGZVFWFLSA-N 440.357 4.980 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)c(C)c1Br 2229403204 OHGDWSZDLKHURN-AWEZNQCLSA-N 445.423 4.945 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]12CC[C@@](C)(CN1C(=O)OC(C)(C)C)C2 2235729832 NVGHGWDRYAUOPY-QIJUGHKUSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2235730004 OCIZYVLIWNXKNP-UYAOXDASSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2235732460 SGETXLHUCQLWTK-IEBWSBKVSA-N 437.422 4.966 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C1CC1 2235745718 DZOAOHPPCMWJOM-MOPGFXCFSA-N 435.406 4.718 30 10 IJEE C[C@@H](Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)c1ccc(NC(=O)OC(C)(C)C)cc1 2266060811 MIEYEBYGXWJPLL-MRXNPFEDSA-N 439.365 4.901 30 10 IJEE CC(C)(C)CN(Cc1ccccc1)C(=O)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F 2267513470 WCLXYVNKZGRPNG-UHFFFAOYSA-N 443.343 4.953 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1cc(Br)cc(OC(F)(F)F)c1 2273000363 DBQBRMHRKKFUJP-KGLIPLIRSA-N 439.272 4.688 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(OC)c1 2281454670 HBGYIXYIHHBEMB-PKOBYXMFSA-N 439.394 4.805 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@@H]1[C@H](N)C#Cc1cccc(Br)c1 2296225830 ZFBMDNNIISNNQP-RTBURBONSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CC1CCCC1)[C@H](O)C#Cc1cccc(Br)c1 2296227427 OOVPIADIISCVPX-AZUAARDMSA-N 436.390 4.883 30 10 IJEE CCC[C@@]1([C@@H](C#Cc2cccc(Br)c2)NC)CCCN1C(=O)OC(C)(C)C 2296267530 UTCGZEPYMDDEFQ-KNQAVFIVSA-N 435.406 4.958 30 10 IJEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)C=C1NCCc2cc3c(cc21)OCCCO3 2296280440 MUACAIZAHBBQCU-CYBMUJFWSA-N 434.319 4.678 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1 2296301281 SFAFDRSKFCOTFJ-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1 2309991927 WBRLRDUCQUSZJY-XLNZFTOWSA-N 443.544 4.728 30 10 IJEE C=CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 2314475534 XVZQWELXZDFBAH-JOCHJYFZSA-N 444.512 4.890 30 10 IJEE Cc1ccc(COc2ccc(C=C3SC(=Nc4nnc(C)s4)N(C)C3=O)cc2)cc1 2314544133 UOYGKLKZQVDDQT-UHFFFAOYSA-N 436.562 4.968 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc4c3CN(CCCCN3CCCC3)CO4)C2=O)cc1 2322115125 UDTFGGNZJVTATI-UHFFFAOYSA-N 448.563 4.729 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(-c4ccccc4)cc1)C3=O)CN(C[C@H](C)O)CO2 2322371689 PQJWIKLHQOWRIG-KRWDZBQOSA-N 427.500 4.811 30 10 IJEE Cc1ccc(C=C2Oc3cc(OC(=O)c4ccc(C=CC(=O)O)cc4)cc(C)c3C2=O)o1 2323626997 QAMBQYUJDRTTGI-UHFFFAOYSA-N 430.412 4.830 30 10 IJEE Cc1ccccc1C=C1Oc2c(ccc(O)c2CN2CCC(N3CCCCC3)CC2)C1=O 2324210014 GPXBFUBQSZJKMQ-UHFFFAOYSA-N 432.564 4.767 30 10 IJEE Cc1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2324224518 YEWZGZGRQBPILN-UHFFFAOYSA-N 445.427 4.642 30 10 IJEE CCOC(COc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O)OCC 2324741400 MAEMSYKBMDPBBR-UHFFFAOYSA-N 433.298 4.843 30 10 IJEE Cc1c(OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc2c1OC(=Cc1ccco1)C2=O 2325263559 ICUALTGZKWQHQE-UHFFFAOYSA-N 435.388 4.558 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2N=Cc2c(Cl)cccc2Cl)o1 2325652566 LAABLFNLUHORQJ-UHFFFAOYSA-N 425.297 4.529 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4sc5c(c4C#N)CCC5)ccc3C2=O)o1 2325744216 BLOPOMWGJNNBPJ-UHFFFAOYSA-N 446.484 4.644 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(C(=O)O)cc1 2326513487 GHUBWWMGUMWFSJ-UHFFFAOYSA-N 430.917 4.511 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2326539948 XNJIJCCQEWCTTH-UHFFFAOYSA-N 443.916 4.887 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(O)c(O)c1 2326542010 WAMPIWUQFSIVCF-UHFFFAOYSA-N 432.933 4.614 30 10 IJEE C=CCSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc([N+](=O)[O-])c1 2327673975 VPCLLJNTKSZPOH-UHFFFAOYSA-N 429.889 4.579 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccccn1 2328239790 WTLGMVXVVACWSV-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE CCCSc1nnc(CCc2cccc(OC)c2)n1N=Cc1cn(C)c2ccccc12 2328652959 UZEIPLWLUMQIBC-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(F)cc1F 2330297481 JFGQVCNTGSOCEG-UHFFFAOYSA-N 436.528 4.607 30 10 IJEE COc1cccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c1 2331030289 WTNHYUUSUMVCOB-UHFFFAOYSA-N 448.387 4.627 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cncc(C)c1 2331042427 AFQFALMBMWZASY-UHFFFAOYSA-N 432.432 4.812 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(O)c1 2331300738 ITPSMQICELWIGW-UHFFFAOYSA-N 448.548 4.509 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)cc1 2331362853 PVJOSESGGZBARP-UHFFFAOYSA-N 427.961 4.842 30 10 IJEE C[C@@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2339586714 JQMKDKHMNLMBMV-RIBQSRIRSA-N 443.397 4.784 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](C(=O)C#Cc3cccc(Br)c3)(C2)C1 2360196418 QGWYYDXQDQXMLL-VGOFRKELSA-N 432.358 4.797 30 10 IJEE CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363839384 TXVVXXTVTBLXOG-OUIFVKKZSA-N 448.460 4.937 30 10 IJEE C#CCCCCC[C@@H](OCC(=O)O)c1sc(Cl)cc1I 2366709774 LRSAUCIKKVIFNG-LLVKDONJSA-N 426.703 4.732 30 10 IJEE CSc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3C)c3ccccc32)c1 3041711 YQJLKJXJVHFTEG-ROMGYVFFSA-N 446.601 4.954 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O 9085640 HPJNJLVBNAYCAA-CABCVRRESA-N 427.957 4.594 30 10 IJEE COc1ccccc1N/C(=N\C(=O)c1cccc(C)c1)N1CCN(C2CCCCC2)CC1 15729052 SETSZCUNEFEJCS-UHFFFAOYSA-N 434.584 4.562 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)c(Cl)c1 20290485 ATQDRHUWRZIROC-UHFFFAOYSA-N 442.972 4.642 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(-c2ccccc2)nc1C 28389219 FFHICWKOEOUDIE-LJQANCHMSA-N 443.503 4.558 30 10 IJEE C#CCOc1ccc(/C=C2/SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1OCC 34930731 RHUSWSJFPBWFTC-LTGZKZEYSA-N 449.528 4.641 30 10 IJEE COc1ccc(/C=C\C(=O)c2cnn(C)c2)cc1COc1ccc(Br)cc1 35679568 WLGWAHUNUBLGHC-OQFOIZHKSA-N 427.298 4.666 30 10 IJEE CCOc1ccc(/N=N/c2c(C)c(C#N)c(=O)n(CCc3ccc(OC)cc3)c2O)cc1 39871444 DRKDWHNEXRUZIZ-CYYJNZCTSA-N 432.480 4.799 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)cc1 41358324 DQIBTOCHJACOJJ-OYKKKHCWSA-N 429.472 4.526 30 10 IJEE O=C1/C(=C/c2ccccc2)S/C(=N/N=C\c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 47139021 LAHXNHHRCRQPCP-PLKVVUSUSA-N 432.461 4.694 30 10 IJEE O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 102614775 KAVJCDIIBKZEAM-JQZFXTDPSA-N 427.287 4.640 30 10 IJEE COc1ccc(-c2csc(N/N=C\c3cc(Cl)c(OC)c(OC)c3)n2)c(OC)c1 169942147 JCPBGFBIJYQXKT-YVNNLAQVSA-N 433.917 4.944 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2)c1 170055019 LQEGGNCUJFEQFN-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c[nH]c2ccccc12 170073259 IQCXYJXVAPWXCV-OAQYLSRUSA-N 438.911 4.825 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2cccs2)c1 170139101 BQOKOGLYHIEAMH-HXUWFJFHSA-N 434.473 4.743 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1C 170173650 IRTUBWDHHAYHES-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccccn1 170176077 DXBCWQIPLPEINL-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)cc1 170224998 DDFZBCWDQDVSAJ-UPCLLVRISA-N 441.483 4.802 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)c1 170230616 GFOMTIJPGVPOOC-QHCPKHFHSA-N 428.488 4.649 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)CCCO2 170258277 PQRAPFHPLCVCFU-HSZRJFAPSA-N 445.446 4.639 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCC)c1 170324468 ZTPKJISABSKSOS-QHCPKHFHSA-N 433.504 4.565 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1c[nH]c2ccccc12)c1ccccc1 170383708 NRXUAFBROAOFTQ-HSZRJFAPSA-N 438.439 4.680 30 10 IJEE N#Cc1c(NC(=O)[C@H]2CCCC[C@H]2CN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 170573606 BDFLXAQXPWYXIW-HOTGVXAUSA-N 447.560 4.540 30 10 IJEE Cc1ccccc1OCc1nc2ccccc2c(=O)n1N=Cc1c[nH]nc1-c1ccccc1 254739560 MPPANRSNGNAZMH-UHFFFAOYSA-N 435.487 4.556 30 10 IJEE C=CCN(C[C@H](Cc1c(F)ccc(Br)c1F)NCC)C(=O)OC(C)(C)C 407328578 GWCCRANEUMBTTO-ZDUSSCGKSA-N 433.337 4.671 30 10 IJEE CCOc1cc(Cc2noc(-c3ccc(C#N)o3)n2)cc(Cl)c1OCC(F)(F)F 426422506 WNXUHWVOOMLERZ-UHFFFAOYSA-N 427.766 4.785 30 10 IJEE COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CNCC2CCC(C#N)CC2)c1 441334383 WKMAAKRYPLTFFW-UHFFFAOYSA-N 430.552 4.976 30 10 IJEE C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 483019941 OTTDWQIISRHCBW-AWEZNQCLSA-N 439.566 4.503 30 10 IJEE COc1cccc(COc2cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2C)c1 503614653 XEPXCUIGDRKPIP-RUZDIDTESA-N 438.524 4.783 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](c2ccsc2)C1 508845505 NXBHQTWAEAZJOP-NRFANRHFSA-N 440.569 4.566 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCCOc1c(Cl)cccc1Cl 514723326 CMJCTRMDMPKWFC-UHFFFAOYSA-N 441.428 4.970 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526523486 YXLVMOBTXCRNDF-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CC1(C#N)CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2ccccc2)CC1 558940220 FEMJMPBTNAAXKH-UHFFFAOYSA-N 435.959 4.883 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1)NCCC 721951302 RZYWRDRCWMUZLC-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2)C(=O)c2sccc2C#N)C1 730504816 LJVPBNWKKMGWBF-IBGZPJMESA-N 425.554 4.662 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 734216250 RSLCIUGBFMOGHF-NRFANRHFSA-N 447.560 4.708 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)c1ccncc1 745827219 HOKOIHSEVVCIML-MOPGFXCFSA-N 447.320 4.850 30 10 IJEE C[C@@H](CSc1ccc(F)cc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 756711954 BRQSOPCTRHRMEF-QWHCGFSZSA-N 432.542 4.546 30 10 IJEE Cc1ccc(N2C[C@H](C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)CCC2=O)cc1C 760385958 KUQLRBPCJDDNGG-HXUWFJFHSA-N 443.469 4.509 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 767203756 HCZYWXDPDWBYBR-UHFFFAOYSA-N 431.389 4.934 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 780676696 CVYGILWBPWOSJY-LHSJRXKWSA-N 438.915 4.611 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2Oc2c(C)cccc2C)n1 788576229 GMEBVPLAKUPHHQ-UHFFFAOYSA-N 432.524 4.606 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N([C@@H]3CC[C@@H]3C)C2=O)cc1 795177090 LBAYNGOIGDYCNV-RVHYNSKXSA-N 435.549 4.648 30 10 IJEE C#CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 799212099 RQOILCURHWGFCJ-IBGZPJMESA-N 425.941 4.550 30 10 IJEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 1084590626 PPXXUSWCXYKGAA-DEOSSOPVSA-N 432.455 4.501 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)COCCc1ccc(Br)cc1 1124333950 MOZWFIKIYZTTPB-UHFFFAOYSA-N 428.779 4.938 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)c1 1126060307 JVTIBKMYNFMACC-UHFFFAOYSA-N 426.266 4.885 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(OC)c(OC)cc1I 1126142433 XAYWUXQRBGVPJI-UHFFFAOYSA-N 443.325 4.517 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)CCCN1C(=O)OC(C)(C)C 1134526197 SDQOFKUYJCVMQP-CLJLJLNGSA-N 438.568 4.799 30 10 IJEE C=CC1(CC(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)CCCCC1 1136952953 LPQKOWJBXVUXAE-UHFFFAOYSA-N 449.433 4.935 30 10 IJEE C=C1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(CCCC)cc3)ccc2C)CC1 1144025415 CNFHGQBZDKXAMX-UHFFFAOYSA-N 426.582 4.931 30 10 IJEE C=CCOc1ccc(C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)cc1OC 1161899631 BKQDNMOJXVMWDE-UHFFFAOYSA-N 449.454 4.973 30 10 IJEE N#Cc1cc(F)c(Oc2cccc(Oc3ccnc(C(N)=O)c3)c2)cc1Br 1162861216 ATNXVNMEGWNWNX-UHFFFAOYSA-N 428.217 4.538 30 10 IJEE C=CCn1c(SCN(C)C(=O)C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 1187948320 NJIJICGRDOVPBQ-UHFFFAOYSA-N 427.595 4.783 30 10 IJEE C=CCN(CC(=O)Nc1ccc(I)cc1C)CC1CCCCC1 1190984120 HZOXNARBIRELDB-UHFFFAOYSA-N 426.342 4.606 30 10 IJEE CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN(CCC#N)CC1CC1 1191366500 GLRLIRYGWOOBEN-UHFFFAOYSA-N 445.972 4.809 30 10 IJEE COc1ccc(Sc2nsc(NC(=O)N[C@H]3CCCc4cc(C#N)ccc43)n2)cc1 1205845123 DEGZWMLLEIGEAN-SFHVURJKSA-N 437.550 4.769 30 10 IJEE CC#CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1210998928 NRZNKMXSKYOQQV-IBGZPJMESA-N 436.408 4.867 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 1215510552 TWBGWVCCGAAQTQ-XMMPIXPASA-N 445.535 4.625 30 10 IJEE CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1227726250 FSTXCGPXYBDYQO-LJQANCHMSA-N 429.923 4.925 30 10 IJEE C#C[C@@H](NC(=O)NC1(c2cc(Br)ccc2OC)CC1)c1ccc(Cl)cc1 1252449394 PIJZSCKHVYJZJW-QGZVFWFLSA-N 433.733 4.774 30 10 IJEE C#CCN(C(=O)NCCCc1ccsc1)[C@@H]1CCOc2ccc(Br)cc21 1256435533 GYYXSPNDVFDSHG-GOSISDBHSA-N 433.371 4.612 30 10 IJEE C#CCO[C@H](C)C(=O)Nc1nc(-c2cc(C)n(Cc3ccccc3Cl)c2C)cs1 1264176303 UZGAWJSFWZWDDW-MRXNPFEDSA-N 427.957 4.907 30 10 IJEE C=CCC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)c1ccccc1 1269337754 QESFIKHLNKJFFV-HXUWFJFHSA-N 442.401 4.889 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(NC(=O)OCC)ccc1F 1275389461 JOFQPDHFAGIUDL-UHFFFAOYSA-N 437.265 4.974 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)Cc1ccccc1 1286438171 RFJUNBPIYGJSDE-FQEVSTJZSA-N 447.652 4.723 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCN1CCC 1286438569 YYQWZMVIFOBGRT-FQEVSTJZSA-N 425.646 4.609 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1286438911 IGVCVKAXOGBJDN-JENIJYKNSA-N 427.390 4.912 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1Cc1cccc(C(F)(F)F)n1 1286456754 VFZMZOSVEXSPRK-UHFFFAOYSA-N 443.448 4.787 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1286532311 AFCGGRJMKOXCID-RBUKOAKNSA-N 445.405 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(CC)C1 1286554632 VBKYWYYKSKEXKK-FYINFDKHSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C)s1 1286566625 SBWRNSYJPMTVAT-LAUBAEHRSA-N 443.642 4.621 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(C)C)C1 1286603188 OJZLKKOMUHDWRZ-HXUWFJFHSA-N 444.645 4.729 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1 1286614536 VAZNDWSEUUNBGV-QGZVFWFLSA-N 439.050 4.758 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnn(CC(C)C)c2C)CC1 1286649114 KIXSPMPZOIISDC-UHFFFAOYSA-N 434.588 4.531 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCN(C)CC(F)(F)F)CC1 1286657397 YSEPZRITGRGXOQ-HXUWFJFHSA-N 435.538 4.717 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286674167 OCCUPBPGKIOWPU-LJQANCHMSA-N 431.625 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1286763856 WIYZIVGNVVEXTJ-UHFFFAOYSA-N 437.544 4.810 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H](C)N(C)C)C1 1286802402 AVFTZCBLOQUBMK-JKSUJKDBSA-N 446.020 4.545 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1286970626 CTMXNJWTXKDGGE-INMHGKMJSA-N 439.457 4.886 30 10 IJEE Cc1nc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)C[C@@H](C)C#N)sc1C 1289151117 BMASCTFDACEVMA-ZDUSSCGKSA-N 447.033 4.941 30 10 IJEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1 1291175289 DMNZZDKRPKNLMQ-SJORKVTESA-N 429.515 4.789 30 10 IJEE CN1CCCC(C)(C)[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(CC#N)CC1 1298885704 AVOJPQVCYAOXBV-XMMPIXPASA-N 448.659 4.704 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nc(C)c(C)s1 1300284161 PRDJZMQIFDOBLH-ZIAGYGMSSA-N 425.627 4.711 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCC(F)(F)C1 1300591539 SFPHXTHWHDWLTA-NRFANRHFSA-N 449.549 4.960 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1301185919 NQZVHOXEKQBDPF-IYBDPMFKSA-N 442.514 4.678 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1301218827 VTRKJLPETFYNBO-FCHUYYIVSA-N 434.588 4.737 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1nnc(CC)s1 1301280153 DOOJTCZDZKSDDI-UHFFFAOYSA-N 440.573 4.897 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1Cc1ccncc1Cl)C1CC1 1301331366 IYDVSVUZOSAYSL-UHFFFAOYSA-N 441.988 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C(C)C)C1 1301360212 XNNHARUBEZCFAI-HXUWFJFHSA-N 438.645 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccc(OC)cc2)n1CC(F)(F)F 1301365749 XHWMQCUYQVHWHM-UHFFFAOYSA-N 436.503 4.888 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2CCC2CCOCC2)c1C 1304018837 GQYORNDWEWWTQL-FQEVSTJZSA-N 437.588 4.592 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCCCC1)OC 1305358657 HLOFBIIPSIMFHA-PGRDOPGGSA-N 425.577 4.559 30 10 IJEE CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(c2ccncc2)CC1 1306690441 AWWOINRCVVZVNX-UHFFFAOYSA-N 443.599 4.755 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 1307920842 PCZWIFUYVVPXBM-CQSZACIVSA-N 436.503 4.678 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1CC(C)(C)c1cccs1 1314728899 HNPOPDYOIOECSC-UHFFFAOYSA-N 442.592 4.811 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(I)c(C)cc1C 1357285859 SRQXAWYMRRKRCB-UHFFFAOYSA-N 430.289 4.608 30 10 IJEE C#CCCCCCC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1357494296 BJFZWAWHJOGIAY-NRFANRHFSA-N 442.556 4.765 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4cc(Cl)c(Cl)cc4[C@H]3C)cc2C1=O 1357623835 XDWQKKMQOBJHDM-GFCCVEGCSA-N 429.303 4.535 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1358904825 MSHIGFUFMUESRV-IXDOHACOSA-N 438.469 4.995 30 10 IJEE C#CCCCn1c(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)nnc1C(C)(C)C 1358935385 GSSRVWDSUDTGLP-UHFFFAOYSA-N 437.588 4.899 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)N1CCC[C@H](C)C1 1358938975 NEDOHZMZWJYHMQ-SIKLNZKXSA-N 437.632 4.615 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(CC)C1 1359104002 WKFIDDBLICXXOB-OEOAZWSVSA-N 428.552 4.604 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1ccccc1OC 1359131040 GMVQEYCAHMEBQL-QFIPXVFZSA-N 433.556 4.591 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1359161940 VZPOYXIDBWLWKV-GOSISDBHSA-N 429.565 4.552 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359192535 HXIKHFPYNONSBW-FCHUYYIVSA-N 440.588 4.536 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCCC[C@@H]2C1 1359199021 IOJSWOGGVUYEFJ-LJQANCHMSA-N 431.531 4.577 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCS2)C1 1359325465 FZYJAWPDWMFBSY-UYAOXDASSA-N 430.643 4.556 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1 1359338312 RBHKMLYFNTZJCK-UHFFFAOYSA-N 446.418 4.602 30 10 IJEE C=C(Cl)C[C@H](NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)OCC 1438404676 QOBRIXIRZONVPU-HNNXBMFYSA-N 446.878 4.562 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(Cc2ccc(C)cc2)CC1 1440866708 YYOJAJQDNZXGLO-UHFFFAOYSA-N 432.486 4.927 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccccc2F)c1 1448993445 QIUFBLNIBDMBMV-KRWDZBQOSA-N 449.910 4.665 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1F 1449322767 YISNRZCCUXMHKD-KDOFPFPSSA-N 439.701 4.630 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CCc3ccccc3C2)CC1 1452823674 PZXQFMRDNWYAIU-HXUWFJFHSA-N 432.992 4.820 30 10 IJEE C#CCC1(C(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)CCCCC1 1458175654 WPYQCXHBLMQNHS-UHFFFAOYSA-N 444.619 4.911 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@@H]1CCCN(c2ccc(C)cc2)C1=O 1458986316 QABNIWBTOOFMAY-OAQYLSRUSA-N 434.565 4.639 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 1459632197 PDLYMRPIICMHJN-RDPSFJRHSA-N 435.955 4.963 30 10 IJEE C#CCOc1ccc(CN[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)CC)cc1 1461180202 DQHWZYVSDCWCLM-AMGIVPHBSA-N 432.608 4.684 30 10 IJEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c(Cl)c1 1463161231 SHMWGIPZJJGPSB-UHFFFAOYSA-N 430.957 4.527 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1)C(C)C 1464871893 QTABPLPIIBCRHU-OAQYLSRUSA-N 435.399 4.916 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 1465535818 YEOIGSHHEVKFAG-VGSWGCGISA-N 425.504 4.654 30 10 IJEE CC(C)(CC#N)CNC(=O)N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 1470461833 FMMNNXIMBAHXIZ-JOCHJYFZSA-N 439.604 4.825 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)CCOCC1 1476370131 QJHIFDFGZPYHHS-UHFFFAOYSA-N 425.916 4.595 30 10 IJEE Cc1nnc(CN(C)C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)s1 1476791997 BBZHIHYZKWDTJW-UHFFFAOYSA-N 430.349 4.800 30 10 IJEE CCC(CC)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)c1nccs1)OC 1496526307 CRMXYERODSAAFL-QGZVFWFLSA-N 438.601 4.718 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](CCOC)C1 1507573724 JIBBDTOJGUWQNJ-VQTJNVASSA-N 445.007 4.965 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ncc(Cl)n1C 1507575815 HEZGCBUWSVDMTJ-OAHLLOKOSA-N 443.020 4.568 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1507647501 CNKKAVLWFJBHHY-DFHRPNOPSA-N 445.655 4.826 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OCCC)nc1 1507681160 SXGKJKKCIRYDLP-SFHVURJKSA-N 449.624 4.823 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1507681909 GCOHSAPRVRBBRE-RBBKRZOGSA-N 435.959 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC[C@H](OCCC)CC1 1507804113 DYEMLTURYIAMGZ-GPXNEJASSA-N 430.637 4.778 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC(CC)CC1 1507837715 DXPZQESBBSONLD-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=C(Cn1c(N(C)Cc2ccsc2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1507851010 YAHGSEFYAQIJHQ-XMMPIXPASA-N 438.597 4.730 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OC)C1)c1ccccc1 1507929269 OTRINWWDUVFJPZ-UNMCSNQZSA-N 437.613 4.609 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1507931926 ITBXFTRGNSCJKG-PXNSSMCTSA-N 443.567 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccoc1 1508008492 FYDGPSCLBBCZBR-UHFFFAOYSA-N 436.537 4.858 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H](OC)C(C)(C)C 1508015361 SNLBHYXDLKUITE-SFHVURJKSA-N 433.394 4.947 30 10 IJEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1512101668 GNHHGLADFCWGES-ICSRJNTNSA-N 427.618 4.885 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1CCOc1ncccc1Cl 1513130340 AOEWNYMPQJWOMW-KRWDZBQOSA-N 438.963 4.817 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 1515597452 GBOOBRRBJUSZQH-JLTOFOAXSA-N 445.441 4.512 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1ccc(C(F)(F)F)cc1 1520114541 VPQSOCCVBFAPEN-UWJYYQICSA-N 446.469 4.891 30 10 IJEE C=CCc1ccc(OC(=O)[C@H](CCOC)Cc2cccc(Br)c2)c(OC)c1 1521158647 PAPBLHVXIQWEGZ-GOSISDBHSA-N 433.342 4.987 30 10 IJEE C=C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 1524760683 ZYCDRPFEDIOVHD-FQEVSTJZSA-N 448.592 4.911 30 10 IJEE CC[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc2c(c1)OCCO2 1527788419 AINCVBYEXMHPDL-QHCPKHFHSA-N 428.488 4.790 30 10 IJEE C=CCCSCCNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 1527934055 REQAFQMLFTVHAQ-UHFFFAOYSA-N 432.630 4.915 30 10 IJEE C=CCOc1ccc(COC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 1536714644 FQBMCYPQMUGBTN-CJLVFECKSA-N 444.516 4.708 30 10 IJEE C#CC(C)(C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1537967773 CCONBQDSQIASKQ-UHFFFAOYSA-N 431.483 4.724 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H]3CC(=O)N(CCCC)[C@@H]3c3ccc(OC)cc3)cc2n1 1538563304 XCAGTITWNQXYBE-WIOPSUGQSA-N 446.551 4.559 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OCCC)CC1 1539648090 ZESRSGPZGRPBPP-GIWBLDEGSA-N 444.645 4.697 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](CC)C1 1539728159 FCQNWPWZQMAALQ-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1539875300 VZBMAJRJGCLYEP-DHLKQENFSA-N 439.673 4.660 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccccc2F)C1 1539917406 VBEREFWFHBSMBL-RTWAWAEBSA-N 428.552 4.839 30 10 IJEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1540013637 AQJCVHVOYAAGHN-NRFANRHFSA-N 438.551 4.617 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccoc1 1540029745 XYPGAJSKRGQQKN-UHFFFAOYSA-N 437.363 4.591 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCC(C)CC1)C1CC1 1540094875 KXHJRDVXVVQJQK-JOCHJYFZSA-N 437.632 4.922 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccncc2)n1Cc1csc(C)c1 1540120315 KHEQWJXCIGVRBY-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC=CO1 1540191578 NUCPVXRBTPMIHV-LJQANCHMSA-N 428.602 4.607 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCCCC2)cc1 1540536804 SCUDRRHKMWSADQ-QFIPXVFZSA-N 429.605 4.538 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540911292 QMXWYZANRGQCCY-GOSISDBHSA-N 443.020 4.635 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1 1540911334 QYDFDZXHHWZMRA-UHFFFAOYSA-N 443.020 4.635 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)c1 1543755661 AZLFVRSBFDDPKH-INIZCTEOSA-N 429.398 4.570 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cccc(Br)c2O)s1 1556481577 XGAYVAVPCFFMFS-UHFFFAOYSA-N 447.807 4.623 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncccc1Br 1559390963 KOVZTKZLLWRNDQ-UHFFFAOYSA-N 431.359 4.801 30 10 IJEE C=CCC[C@@H](CO)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1562268763 OOIBENRMAHXMAH-SFHVURJKSA-N 435.446 4.715 30 10 IJEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCCC2(CCN(C)CC2)C1 1562321722 DHJHZMKUMBFGQJ-UHFFFAOYSA-N 432.568 4.785 30 10 IJEE C#CCOc1ccc(CNC(=O)C2(c3cccc(Br)c3)CCCCC2)cc1 1583104952 BZYRUABEXZAMGW-UHFFFAOYSA-N 426.354 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCC(=O)N[C@H](C)CC 1587575645 ZIMXJMWISVNQGV-CABCVRRESA-N 444.004 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1noc2c1CCCC2 1587593824 NQHBLSAQIBMHQO-ZDUSSCGKSA-N 430.339 4.625 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1CCN(CCC)CC1 1588265509 BVCANSKGAQYACK-JOCHJYFZSA-N 437.632 4.616 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC1(C(C)C)CC1 1588560250 OQHQTHTWYWTASN-UHFFFAOYSA-N 437.588 4.849 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1589701305 XKHBXZQIVOSAJZ-RBUKOAKNSA-N 448.036 4.548 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCSC(CC)(CC)C1 1593678080 UXUPTYFWIPMJGE-UHFFFAOYSA-N 430.618 4.944 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1594065143 ZPMVXIRSJBYKIJ-KRWDZBQOSA-N 439.947 4.626 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1594698207 MKDFZMBWMWGRMP-NHCUHLMSSA-N 440.588 4.855 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1cccs1)N(C)C 1594914114 XJXHDKABWQYZGH-QGZVFWFLSA-N 431.993 4.594 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)Cc3c(Cl)cccc3Cl)ccc2c1=O 1598089840 JTGZREQBENQVPA-LBPRGKRZSA-N 448.375 4.539 30 10 IJEE C=C[C@H](CC)CC(=O)N1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1611110487 PYHPDDUPCIUNOG-AABGKKOBSA-N 428.573 4.745 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1613105013 XYHUBOYJDGXMHA-HZPDHXFCSA-N 447.670 4.895 30 10 IJEE C=CCn1c(SCc2c(C(F)(F)F)nn(C)c2Cl)nc2cc(Cl)ccc2c1=O 1613136034 LOBFFNHNCLALIJ-UHFFFAOYSA-N 449.285 4.934 30 10 IJEE C=CCCCC(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1624622714 AYQBGHJTAHBAEK-UHFFFAOYSA-N 441.322 4.684 30 10 IJEE C=CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 1626437943 WCEDDUXVVQUGRR-DGDHUYAWSA-N 443.503 4.687 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 1627429299 ALIFQDBOLPOUEX-SLGOVJDISA-N 432.545 4.788 30 10 IJEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 1628728706 BTEZPWYKVZHOPK-SANMLTNESA-N 439.559 4.526 30 10 IJEE COc1ccc([C@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)c2c[nH]c3ccccc23)cc1 1629300560 HBXVVFKEUARZRX-DEOSSOPVSA-N 438.531 4.676 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](CCCc3ccccc3)c3ccccc3)CC2)cn1 1629636081 GUNNIGHBCOCFJL-AREMUKBSSA-N 439.563 4.549 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccn1)c1ccccc1OC 1632192829 WIGFNELOCVJQOZ-UNMCSNQZSA-N 439.556 4.545 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 1634448477 DQQNNIWHZNBGJP-GOSISDBHSA-N 426.517 4.802 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)c(OC)c1 1637224436 RKODPDYYPPOYMF-UHFFFAOYSA-N 444.503 4.605 30 10 IJEE C#C[C@@H](NC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1ccc(Br)cc1 1637663563 UWSFVILOJIHKDG-XXBNENTESA-N 442.353 4.654 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCC(C)C 1640705874 FNYWRLMYLDYHKO-MRXNPFEDSA-N 434.005 4.777 30 10 IJEE C=CCC[C@H](NCc1nc2ncc(Br)cn2n1)c1ccc(C(F)(F)F)cc1 1642447588 PJQBWGRUCAWLHH-HNNXBMFYSA-N 440.267 4.703 30 10 IJEE COc1ccc(C(NCCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(OC)cc2)cc1 1644093346 AJNQWMCFGZOAHG-UHFFFAOYSA-N 449.938 4.937 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCCCC1 1649538416 CYPAMJQLPBRRLW-OAHLLOKOSA-N 428.989 4.966 30 10 IJEE C=CCn1c(SCc2cccnc2C(F)(F)F)nnc1[C@H]1COc2ccccc2O1 1652469550 TYVVAYUYEHWJNZ-MRXNPFEDSA-N 434.443 4.683 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(Cl)nc2C)c1 1653371465 YINXYVQFJIZLKM-UHFFFAOYSA-N 443.908 4.607 30 10 IJEE CCOC(=O)[C@H](C)N(CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2)C1CC1 1654172369 BHUCEUYZMXJSBS-HOTGVXAUSA-N 445.629 4.515 30 10 IJEE C#CCCS(=O)(=O)N(C)[C@@]1(c2ccccc2Cl)CCC/C(=C/c2ccccc2)C1=O 1655535183 AGHARLUDIVUKDS-CQLBIITFSA-N 441.980 4.657 30 10 IJEE C=CCn1c(SCc2ccc(I)cc2Cl)nnc1C1CC1 1656071787 DRCVXKFQFCILFM-UHFFFAOYSA-N 431.730 4.892 30 10 IJEE C#CCN(CC#CC)CC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1 1657419823 OSVJIBZPWYXYPC-UHFFFAOYSA-N 438.575 4.734 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CCCC2)c(C(F)(F)F)c1 1659553360 HDKJQWWQNXAMBI-UHFFFAOYSA-N 426.435 4.506 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)c1 1660905101 KCOWHYXDUZHNAC-OAQYLSRUSA-N 426.442 4.573 30 10 IJEE C=CCC[C@H](NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)c1ccccc1 1662358241 GLYFTWLHIKSXJI-IBGZPJMESA-N 434.355 4.809 30 10 IJEE C#CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl 1663247293 GGOYSOQPLDFQHQ-UHFFFAOYSA-N 433.154 4.580 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 1667015088 FEONCUQJVDLGIF-SEPFQZFQSA-N 438.597 4.789 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1670827659 ZUSLSWNYJSZHGQ-IAGOWNOFSA-N 443.466 4.563 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1cccc(C2CC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1673124976 FHTGBTLRKNPTCG-GOSISDBHSA-N 425.573 4.669 30 10 IJEE COc1ccc(NC(=O)N(C)Cc2cccc(OC)c2OCc2ccccc2F)cc1C#N 1673850156 GWEIBUTVGJGDSC-UHFFFAOYSA-N 449.482 4.957 30 10 IJEE C#CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1683366076 YAGLZSCYXUNCLG-TYPHKJRUSA-N 439.353 4.782 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1683446278 AVVIALAYWUDWLI-JRGCBEDISA-N 425.573 4.648 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(F)(F)CC1 1689878722 SPBCAVYKARHSFO-UHFFFAOYSA-N 441.295 4.886 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H]1CC[C@H](F)C1 1690200353 UPEWGLLKWSNRGY-CKJXQJPGSA-N 431.353 4.838 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccccc1-c1cnn(C)c1 1690268397 JITXTSNZSSKQGU-UHFFFAOYSA-N 432.597 4.782 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCC(c2ncc(C)s2)CC1 1690307337 XSRNRWMULFBHHA-UHFFFAOYSA-N 441.576 4.826 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC1CCOCC1 1690419736 AFQLAFMKHLPGCY-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1690468267 WWHWSJUGZRANJK-NRFANRHFSA-N 434.588 4.639 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690488628 QWHNFHPKTHPMCQ-MJGOQNOKSA-N 445.633 4.636 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)F 1690561034 AEHFKKRNOOOHBQ-RTBURBONSA-N 447.505 4.823 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1sccc1C 1690613385 FSOLUZOGESDHRJ-UHFFFAOYSA-N 432.977 4.664 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1csc(CC)n1 1690631107 MVUHZNDAAGUYRJ-UHFFFAOYSA-N 436.354 4.688 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCC(C)C)c2)C1 1690689955 ONQYDOFQCPMKNB-QFIPXVFZSA-N 436.556 4.711 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCC2CC2)C1 1692842931 GCDRRANXGBMMEV-FQEVSTJZSA-N 432.341 4.777 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN2CCCC[C@H]2C1 1705509613 IEMHTZXIYZOZIS-PKTZIBPZSA-N 435.616 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CC1(OC)CCC(C)CC1 1705588443 FOLAETFSNHLPOK-CRIAOJQNSA-N 432.612 4.878 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1CCCCC1 1705623207 JQEFUVRXEYXCLX-GOSISDBHSA-N 426.630 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCOc1cccc(C)c1 1705695079 HPVZABAOEIIVSA-OFNKIYASSA-N 436.556 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)C1 1705698592 WHVXJYZQXUTHPL-AYBZRNKSSA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1705708496 CUPCKTPBDNVGPL-KCESLBEFSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccco1 1705709282 NATPLULYGHRVJP-RDPSFJRHSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCN(CC)C1CC1 1705713172 WDXNAAXRRPKKRQ-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)CC(C)C 1705730441 JBAFVCUXLIKGJY-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[C@@H](F)C2)CC1 1705777384 HGVCVGBNMNXBGB-DOTOQJQBSA-N 436.373 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCC[C@@H](SC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705802305 HGBYHNDQQRMNPM-XXBNENTESA-N 436.666 4.643 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](OC)C(F)(F)F 1705836647 AEWGDHSOUPIOEI-KRWDZBQOSA-N 428.524 4.865 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CCc1nccc(C(F)(F)F)n1)C1CC1 1705850045 FGBOEYCJPPXADS-UHFFFAOYSA-N 442.489 4.714 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2C[C@H](C)C(F)(F)[C@H](C)C2)cc1 1705909601 BFDXQFUOZKXJLV-HDICACEKSA-N 439.510 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2CC(C)(C)C2)C1 1705920926 IESAYNUEVZJRNE-HXUWFJFHSA-N 440.588 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(C)[C@H](C)CC 1722275163 CIACWSOJTINXFQ-HSALFYBXSA-N 446.039 4.877 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cc(C(C)(C)C)no1 1722276718 JSQVHDCXSOHDML-HKUYNNGSSA-N 435.572 4.827 30 10 IJEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 1722333859 PHQWPXKRXWBPAM-OALUTQOASA-N 427.618 4.549 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722357339 ZERXHCWOYLCVHC-IFMALSPDSA-N 438.616 4.773 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCn2ccnc2C1 1722500641 JYQJFRSIWCOHCO-FCHUYYIVSA-N 448.615 4.896 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](c2ccco2)C1 1722536707 QNJKNVLLYCFABN-SFHVURJKSA-N 442.947 4.690 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1722568851 BYMBHUVSECERKJ-FQEVSTJZSA-N 429.609 4.567 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1Cc2ccoc2CC(C)(C)C1 1722582009 GCUCQMNXVDXIBF-SFHVURJKSA-N 430.593 4.786 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 1722622048 HGZCVHWICTXXKF-OAQYLSRUSA-N 426.605 4.807 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CC[C@@H](C)N1CCCCC1 1722662271 GRNIQMXQJOFEIU-HXUWFJFHSA-N 436.629 4.859 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1Cc1ccnc(SC)c1 1722676993 QDCINRNAMWGESG-FQEVSTJZSA-N 439.585 4.513 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccsc2)C1 1722716513 WAHCLTZHISYMCO-GOSISDBHSA-N 445.386 4.599 30 10 IJEE CC(C)(C)c1nnc(N2CCC(CC#N)CC2)n1CC1(c2ccc(F)cc2)CCOCC1 1722897596 ABBCDTSXUGDJJS-UHFFFAOYSA-N 439.579 4.593 30 10 IJEE CS[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@](C)(C#N)C1 1731032855 DSNSMDAICGAJES-KUHUBIRLSA-N 434.407 4.589 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2(C(C)C)CC2)c1 1740564668 ULGHBIPPPNZKLG-UHFFFAOYSA-N 433.600 4.503 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](CN(CC)CC)C1 1740571031 VWQFIEJHTVNVAK-SFHVURJKSA-N 431.987 4.709 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC1CC(F)C1 1740747994 CXDMFTPLPFYQTA-UHFFFAOYSA-N 437.357 4.567 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC)CC1 1740754979 XBHDEJFUWYUMGK-XXBNENTESA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1740769458 LTBHOECQGXIPKB-HXUWFJFHSA-N 435.572 4.784 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1740783645 QJJAUCZCUSIQRW-UHFFFAOYSA-N 448.596 4.766 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2(SC)CC2)CC1 1740821825 SYXRODSTNVIBER-UHFFFAOYSA-N 428.602 4.795 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCN2CCC)CC1 1740834739 AZOOGZDFQTYTFG-JOCHJYFZSA-N 438.576 4.520 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@](C)(O)c1cc(C)oc1C 1740921399 STRSKRBCCKSZMN-RUZDIDTESA-N 438.547 4.995 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1CCn1ccnc1C 1740923929 ZMUZHZMXNCMPRZ-UHFFFAOYSA-N 432.597 4.637 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@](C)(O)C1CCCCC1 1740935158 DAKWJMPFUUSOBB-MHZLTWQESA-N 447.627 4.850 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(OC)CCC(C)CC2)C1 1740977347 GDVIPSPNTIPDJJ-SZTYLXMGSA-N 445.007 4.975 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOC2CCCCCC2)C1 1741984166 HSOIGRFGCFIGAO-VWLOTQADSA-N 432.572 4.686 30 10 IJEE C[C@H]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)C1 1742997810 GOHXKNFVZQLHDI-SFTDATJTSA-N 434.632 4.891 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1748702366 FBYHEFCSZCKRSS-UHFFFAOYSA-N 449.643 4.789 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@H]1CC 1748831567 PSYNILRGALCRAU-SJORKVTESA-N 443.364 4.746 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCO[C@@H]1C(C)C 1748876896 XXNIZQMVNSAEHG-PGRDOPGGSA-N 442.966 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1cnn(C)c1 1748912238 BBGDHTHFVQKUTM-UHFFFAOYSA-N 438.988 4.639 30 10 IJEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C)=C(C)C1 1749109582 RLWBUDMLEWLQEC-UHFFFAOYSA-N 431.378 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OCC)cc1 1749126292 ANOZYWSSLKPZLK-URXFXBBRSA-N 447.583 4.665 30 10 IJEE C=C1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[S@@](=O)C(C)(C)C)CC1 1749293415 MNSNFDIXRXYSJR-SSEXGKCCSA-N 446.686 4.979 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CCCN2CCCCCC2=O)CC1 1749345258 AFCSKXDMDFXDMX-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1749404209 VUUQWYOUAOUORK-UHFFFAOYSA-N 448.518 4.658 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCc2cccc(Br)c2C1 1749430823 WXELIMRZZKNJGE-LJQANCHMSA-N 431.378 4.811 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@]1(C)CCCS1 1749528256 JOKDHKCXCXVTLQ-XMMPIXPASA-N 437.613 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCS1 1760289430 ORCYSQPKERDSTM-GTCCEBARSA-N 431.005 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)C[C@@H]1CCCO1 1760320293 WVJUWDGUWYMJJS-GIVPXCGWSA-N 430.980 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCc1ccccc1F 1760326814 ZZHDTACHZFCERV-REWPJTCUSA-N 440.588 4.730 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760344105 WGCIKIAJVYRABA-QZTJIDSGSA-N 443.567 4.790 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760430127 ZUWSWDRMHNGILK-WIYYLYMNSA-N 430.980 4.872 30 10 IJEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCC2(CCC(F)(F)CC2)C1 1760448821 QPYPXKNSNJGDQK-UHFFFAOYSA-N 446.542 4.952 30 10 IJEE C=CCCOCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1760452486 DQPPSMRGMVQIGB-KDURUIRLSA-N 432.659 4.802 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCS1)C1CC1 1760469990 SQIJMTQTNQBLAC-OAHLLOKOSA-N 437.382 4.897 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2occc2C)C1 1760536142 DCTKOPYSMHYVRK-SFTDATJTSA-N 436.556 4.766 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1760561453 ANMFMLNNLKNYMH-HXUWFJFHSA-N 444.988 4.997 30 10 IJEE CC(C)(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(Cl)ccc1OC(F)F 1760748385 GOYMTGCNTDQNKU-HXUWFJFHSA-N 441.885 4.612 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)on1 1762176644 DGGOSLDBFNHJAL-NRFANRHFSA-N 448.571 4.762 30 10 IJEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC[C@H]1CC 1764083277 AUAHBNPFWQPPCC-NHCUHLMSSA-N 436.604 4.531 30 10 IJEE CCO[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC#N)C1CCCC1 1765797404 BTJCEYSHGMUQJF-WSWWRLHASA-N 445.652 4.920 30 10 IJEE CN(C)C1(Cn2c(CC(C)(C)C)nnc2N(Cc2ccc(C#N)cc2)C2CC2)CCCC1 1768488435 CZPAANKDXFVOND-UHFFFAOYSA-N 434.632 4.782 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc3c(c2)CCCN3C)cc1C 1862408953 YKZYPZHGMGPZNA-XMMPIXPASA-N 448.563 4.620 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1F 1862416609 IAIMFBLUWKBFAZ-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(C)c1 1862428934 AVJYDDJQRAVPLP-NRFANRHFSA-N 426.944 4.569 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 1862445100 OJLVDXGQPIPVPL-JOCHJYFZSA-N 440.971 4.823 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3c(c2)OCCO3)cc1 1862537587 YYRZVMYZBZXATP-QHCPKHFHSA-N 435.520 4.645 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862556631 BAWCVHNKBNDMJU-XMMPIXPASA-N 442.515 4.673 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1Cl 1862561900 ZJRZAIKDYBEODO-JOCHJYFZSA-N 448.906 4.709 30 10 IJEE COc1ccc([C@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(F)c2)cc1 1862590275 FOOFSAYVWOTIRG-WNSKOXEYSA-N 447.462 4.879 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2ccccc2C(=O)O)cc1 1862690483 AJYQQBIAXDLHPE-QFIPXVFZSA-N 449.503 4.695 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)c1 1862702521 FJTVCFCXYLPOCV-XMMPIXPASA-N 445.490 4.964 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc1OC 1862717119 XAZNOAUIEIOMMH-QHCPKHFHSA-N 429.472 4.598 30 10 IJEE CC/C(=C\C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)c1ccccc1)c1ccc(OC)cc1 1866688868 SNIIMPBSCFLEJW-GDNFTRMYSA-N 439.515 4.856 30 10 IJEE C[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1 1866771279 GDOWJTINJMRPRZ-WAIKUNEKSA-N 433.458 4.502 30 10 IJEE N#Cc1ccc(COc2cn(CCCCc3ccccc3)c(CSCCO)cc2=O)cc1 1870232833 LVEHDUWZZOKCRF-UHFFFAOYSA-N 448.588 4.547 30 10 IJEE C=CCn1cc(OCc2ccc(C(C)C)cc2)c(=O)cc1CN(CCO)Cc1ccccc1 1870470333 LJMMADFCQFAEQO-UHFFFAOYSA-N 446.591 4.731 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(F)cccc2Cl)cn1CCCOCC 1870636590 BSTZMXKAKOOOGZ-UHFFFAOYSA-N 448.966 4.820 30 10 IJEE CCOCCCN1COc2c(cc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)C1 1871355700 HKNGODCSCRPBHZ-JAIQZWGSSA-N 431.891 4.982 30 10 IJEE Cc1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c1O/C(=C\c1cccnc1)C2=O 1871373192 MAWJZZRMXANRIQ-OCKHKDLRSA-N 436.807 4.787 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OC(=O)c3cccc(OC(C)=O)c3)cc(C)c2C1=O 1871390054 CHQGOTAKMCNEAH-QRVIBDJDSA-N 444.439 4.764 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)NCc1ccco1 1871445450 XBPMCZHOLGJGKY-UKWGHVSLSA-N 444.270 4.898 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871761658 IJNNRKGNZJWPNL-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 1871861768 POXMYKAGXOBGTD-NRFANRHFSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C)ccc1C 1872411720 SYMUPZKBNQHTAP-JOCHJYFZSA-N 428.598 4.986 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872488364 LVJYQJMVIRSFKR-NRFANRHFSA-N 434.989 4.797 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1CC)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872492633 CCWDOXASNMFJLK-UWJYYQICSA-N 434.627 4.931 30 10 IJEE CCc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872761291 KETFQYKSRBIINE-RTWAWAEBSA-N 429.545 4.597 30 10 IJEE COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 1872783488 AUHPKEHFKPQMLL-NJGYHNCTSA-N 448.500 4.504 30 10 IJEE CCc1sc(C2=C(N)N(c3ccc(C)cc3C)CC2=O)nc1-c1ccc(OC)c(OC)c1 1873529995 VKXOKCVOTOFPSF-UHFFFAOYSA-N 449.576 4.723 30 10 IJEE C=CCn1c(C(=O)N(CC)CC)cc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 1873561338 LPWNXXAFKRGXRA-UHFFFAOYSA-N 431.584 4.558 30 10 IJEE C=CCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cn(C)c2ccccc12 1874260985 CHJMHYWQEFKEFQ-BRJLIKDPSA-N 439.491 4.787 30 10 IJEE CCCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(OC)cc1OC 1874300004 CZINTZWZXTVMHZ-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE Cc1ccc(/C=N/n2c(SCc3cccc(C)c3)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874334105 HHKWLIVZGUVCDU-MNVTYAKESA-N 447.608 4.794 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1ccc(CC)cc1 1874357035 MEHIQVVDHDSTGJ-JVWAILMASA-N 449.624 4.549 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cccs1 1874401057 HEIFBZGHDJULEO-LTNVFZTJSA-N 428.583 4.665 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)cc1O 1874452004 YPBVTPAAQCIZGC-TXRNYMQSSA-N 448.907 4.508 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1Cl 1874469147 QDNHQVZYYGMPIY-UFFVCSGVSA-N 439.324 4.772 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cccc(F)c1 1874477466 BOUXEFSQQWWZTR-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE Cc1cccc(CSc2nncn2/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1 1874536707 QMFMOSXTRIUOIU-CVKSISIWSA-N 428.517 4.980 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(F)c1)Nc1nccs1 1874585182 PCVQOEFQLISERS-GORDUTHDSA-N 434.851 4.988 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cc(Br)ccc1OCC(N)=O 1874590071 RGFZPLYODGTNSR-RMKNXTFCSA-N 430.342 4.815 30 10 IJEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC 1874594877 IGSMJGSJGJNNPT-PKNBQFBNSA-N 446.341 4.601 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Br)c1OCCCO 1874614358 NAPPURPGUOYLJX-FPYGCLRLSA-N 425.706 4.768 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)cc1 1875114333 PHUQQTKXLONEOD-WUXMJOGZSA-N 435.407 4.787 30 10 IJEE C=C(Br)CN(C)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 1880837287 NBEVOQZVYHLSHE-UHFFFAOYSA-N 425.367 4.571 30 10 IJEE C=CC[C@H](C)OC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 1899331686 GRADDGHIJMTRQN-NSHDSACASA-N 431.270 4.760 30 10 IJEE C#Cc1cccc(CC2(C(=O)O)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 1951896110 WHAMNPGYHRZNQG-UHFFFAOYSA-N 437.495 4.546 30 10 IJEE C=C(COCc1ccccc1)[C@H](N)[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983945440 XTUVORCUBYPQQB-QRVBRYPASA-N 428.495 4.665 30 10 IJEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1987805029 RPZMNMKRZJKNTG-KUHUBIRLSA-N 435.487 4.714 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)cn1 2003373083 WHWIKRULBBBBKY-OAHLLOKOSA-N 431.497 4.931 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNc2ccc(C#N)c(Cl)c2)C1 2025251359 ZVUPVNFBBYKSTD-NRFANRHFSA-N 440.975 4.745 30 10 IJEE Brc1cc(N=C2N[C@@H](CC3CC3)CS2)ccc1I 2029989225 JWXRSFGVIGNIDF-JTQLQIEISA-N 437.144 4.546 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Cl)c1Br)NC 2041169927 PJMBHBDXAYVBFH-HOTGVXAUSA-N 429.786 4.540 30 10 IJEE CCOc1ccc([C@@H](C(C)C)n2nc(CC)c(C=NO)c2I)cc1 2080080550 WOSXOSRPEBHRSU-QGZVFWFLSA-N 441.313 4.502 30 10 IJEE COc1ccc(Br)c(-c2cc(O)n3nc(C4CCCCC4)c(C#N)c3n2)c1 2080934362 LNEAWZBZAFGMFN-UHFFFAOYSA-N 427.302 4.792 30 10 IJEE CC1(C)C[C@H](Nc2ccc(C#N)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2106020624 UOYDTDJEMJRTKB-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)c1c(F)cc(Br)cc1F 2114280837 FHTRAGZRBNQMQF-PMACEKPBSA-N 426.301 4.512 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NC)c2c(F)ccc(Br)c2F)C1 2126686265 YUBZHXNCRAINEA-INIZCTEOSA-N 431.321 4.849 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CN(CCCB2OC(C)(C)C(C)(C)O2)C[C@H]1c1ccccc1 2129043834 OLVDYRNZOIWKAA-SFTDATJTSA-N 444.425 4.709 30 10 IJEE Cc1csc(CNC(=O)c2scc(Cl)c2Cl)c1B1OC(C)(C)C(C)(C)O1 2157013521 DILTZZMOKGZIRY-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1C)NCCC 2159120629 JQJWBTDTTZMSPQ-WOJBJXKFSA-N 437.422 4.975 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCCC 2159121708 XWNOYRDLUAQOTN-OALUTQOASA-N 441.385 4.806 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C[C@@H]1CCCCN1Cc1ccccc1 2219963141 FVESLZOWXSTFNQ-QFIPXVFZSA-N 440.462 4.534 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C1(CCNC(=O)OC(C)(C)C)CCCC1 2235750019 QLSUXHOZKYXKTQ-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CC1(C)OB(c2cc(Cl)c(C(=O)N(Cc3ccccc3)C3CCC3)cc2F)OC1(C)C 2256018133 XFJYWKUDTRBECM-UHFFFAOYSA-N 443.755 4.973 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(F)cc(Br)c1F 2272850464 VLGLZTSAZMUPKX-DOTOQJQBSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@H](N)C#CC1CCCCC1 2289686223 HAFAYZOUTXANLY-WOJBJXKFSA-N 435.406 4.796 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2296217918 ZBLXEVZWLFPGPP-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CCC[C@]1([C@H](C#Cc2cccc(Br)c2)NC)CCN(C(=O)OC(C)(C)C)C1 2296288675 JOOCAWNKRGOAME-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC([C@H](N)C#Cc1ccc(Br)cc1)C2 2296301037 QARXOHMXKOLSHF-LJQANCHMSA-N 433.390 4.555 30 10 IJEE CCCN[C@H](C#Cc1cccs1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2300795865 CGXGKESRPQWUJD-WWPVKYPJSA-N 442.625 4.966 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2310851135 PHVOFXYXQUNXMI-IEAFHPEVSA-N 435.608 4.874 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 2314477531 IPXHYCKZZOGGHL-QHCPKHFHSA-N 438.955 4.660 30 10 IJEE O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=NN=Cc2cccs2)N1Cc1ccco1 2314819375 ZCOLXRQOLVETJK-UHFFFAOYSA-N 438.490 4.756 30 10 IJEE OCCCSc1nnc(C2CC2)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2320886467 NJSJLLRAEOUWCT-UHFFFAOYSA-N 442.972 4.745 30 10 IJEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 2321244973 HNAXQEIDZYHNAS-WOJBJXKFSA-N 445.560 4.655 30 10 IJEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(CCN(CC)CC)C4)cc1 2322170766 OYXRLSRAMMJHTR-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccccc2OC)cc1Br 2323701967 PWPZHTVVZBMDKK-UHFFFAOYSA-N 446.341 4.601 30 10 IJEE COc1ccc(C=C2Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)cc1OC 2324054971 VNKVBGILDBCUIP-HZPDHXFCSA-N 437.536 4.812 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3nccs3)c(Cl)c2)cc1F 2324110840 DOPYTFOZFVZKPD-UHFFFAOYSA-N 446.887 4.858 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)OC)c(OC)c2)c(OCC)c1 2324478470 WMKIYRWYOWTIBG-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccc(Cl)c1 2326191030 WYSKWHWJYVGMCY-UHFFFAOYSA-N 430.961 4.728 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1c[nH]c2ccccc12 2326935747 KPKGXPONPPVDQA-UHFFFAOYSA-N 449.624 4.875 30 10 IJEE Cc1cccc(CSc2nnc([C@H]3CC(=O)N(C(C)(C)C)C3)n2N=Cc2ccccc2)c1 2327822729 QTDAWZAXSJVSPV-NRFANRHFSA-N 447.608 4.875 30 10 IJEE C=CCSc1nnc(COc2ccccc2)n1N=Cc1ccc(OCC)c(OCC)c1 2329920287 UTZQMFBTTJBEGH-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCC(=O)OCC(C)C)cc1 2330508694 QFJIBXSKWSBFQM-UHFFFAOYSA-N 436.581 4.605 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(C)c3)nnc2[C@@H]2CCCO2)c(OC)c1 2330935103 RHNHRHMEPTWFOZ-FQEVSTJZSA-N 438.553 4.630 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)OCCC)nnc2-c2ccco2)cc1 2331232313 IJBBUGVSYDYQAS-UHFFFAOYSA-N 442.541 4.645 30 10 IJEE CCCCc1nnc(SCCCO)n1N=Cc1ccc(OCc2ccc(C)cc2)cc1 2331347139 YXTIZUZSDCSQDF-UHFFFAOYSA-N 438.597 4.865 30 10 IJEE O=C(C=Cc1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 2331441105 ZOPOVPGRWAKLIX-UHFFFAOYSA-N 435.363 4.578 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(OC)c(OC)c1 2331594887 NNEMYCHEFRYASO-UHFFFAOYSA-N 448.548 4.769 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c(F)cccc1Cl 2331673143 FHTHMRCBYYVNGX-UHFFFAOYSA-N 431.924 4.807 30 10 IJEE CCc1csc(C#C[C@@H](O)c2ccc(NC(=O)OC(C)(C)C)c(Br)c2)n1 2338644191 INODFOHPXHSPRE-MRXNPFEDSA-N 437.359 4.900 30 10 IJEE CC(C)[C@@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579406 VRLMWMSGCFEEQM-LJQANCHMSA-N 446.397 4.997 30 10 IJEE CC(C)(C)OC(=O)N1CC=CC[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339606822 WGSCKNSJNRHMLC-LJQANCHMSA-N 442.365 4.671 30 10 IJEE C=CCCC1([C@H](N)c2cc(C)cc(Br)c2OC)CN(C(=O)OC(C)(C)C)C1 2365252452 CZBNVEDCSLVLDV-GOSISDBHSA-N 439.394 4.969 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 1413113 VNADGGPUSZWSJD-CPNJWEJPSA-N 425.506 4.556 30 10 IJEE C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 9310273 WIZVCQYHQDTINI-LDADJPATSA-N 428.491 4.574 30 10 IJEE CCOc1ccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 12240236 GXTOTJKDWMJJRP-JLHYYAGUSA-N 437.503 4.960 30 10 IJEE C=CCNS(=O)(=O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 13991038 JXPVWHMMDLJEMZ-UHFFFAOYSA-N 437.546 4.986 30 10 IJEE Cc1ccc(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2ccc(Cc3ccccc3)cc2)cc1 22691156 IDDYQBOMHPXVNX-DEOSSOPVSA-O 445.608 4.581 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccc(F)cc2)c1C 32972193 JBCQEYPWSSBUIN-UHFFFAOYSA-N 425.483 4.505 30 10 IJEE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N(CCC#N)Cc3cccnc3)c2Cl)cc1 72053582 CZDSMNUSQPDTRV-ZHACJKMWSA-N 433.943 4.552 30 10 IJEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 102517085 UJTLHHGZQRSTDU-QQYUXEJHSA-N 440.499 4.577 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OCC(=O)c4ccc(F)cc4)ccc3C2=O)cc1OC 103017749 QTBUKNULQDGXII-WYMPLXKRSA-N 434.419 4.721 30 10 IJEE Cc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1F 105336082 CHJHMVAOVDNMNF-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE CN/C(=N\c1cccc(C(F)(F)F)c1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 105534569 XHOUAKILPMCYAB-OAHLLOKOSA-N 441.862 4.631 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1C 165442579 JPSNJNWOOSFFSJ-WYMLVPIESA-N 431.488 4.926 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(OC(C)C)c1 169980069 IYSAIWXPWNNVSN-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccco1 170096592 LLHDYHMOWARTEY-NRFANRHFSA-N 437.879 4.763 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1cccc(OC)c1 170120606 NSPXOGDIOCWHMV-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(N4CCCC4)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170140875 QCQUBUWZWKHDAX-UHFFFAOYSA-N 448.526 4.864 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)c(OC)c1 170141269 OANRUFBQPSHSAP-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)[C@@H]3c3ccccn3)ccc2O1 170173683 NIXNIUWJFYAOLE-JLCFBVMHSA-N 446.890 4.841 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccnc1)c1ccc(Cl)c(Cl)c1 170193859 RNSIPXDLVWNUGP-LJQANCHMSA-N 440.286 4.562 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3cccc(O)c3)ccc2O1 170256982 DLMCRGJITICRJI-PEBXRYMYSA-N 447.512 4.556 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)c1 170278654 RQZOOTOWNCMEAF-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3OC)[C@H]2c2ccco2)cc1 170283269 KBTMBEWYDZSZON-JOCHJYFZSA-N 433.460 4.642 30 10 IJEE CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)cc1 170472818 LMZBFNQGJFXDGF-HSZRJFAPSA-N 446.503 4.916 30 10 IJEE C=CCn1c(SCC(=O)NCCC)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 196460131 IGASKTLFPWWREF-INIZCTEOSA-N 432.659 4.962 30 10 IJEE CN1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)SC1=Nc1ccc(Cl)cc1 252624832 PWDOXRGNRNKNJR-QWQVIQCHSA-N 425.897 4.613 30 10 IJEE CCOc1cc(C=Nc2ccc(N3CCOCC3)cc2)ccc1OC(=O)c1cccs1 254813827 JFZJNADXWDYMTM-UHFFFAOYSA-N 436.533 4.953 30 10 IJEE Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)NCC2CCC(C#N)CC2)c(Br)c1 442727501 FOTKYDYJJSVSTQ-QLOJAFMTSA-N 448.405 4.778 30 10 IJEE N#Cc1ccc(CNC(=O)CNc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 443464177 UXPFUXZNXHVADI-UHFFFAOYSA-N 443.894 4.675 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(c2nnc3ccccn23)CC1 460546178 TXXMYRXGVSHUHQ-UHFFFAOYSA-N 433.947 4.601 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 461610850 DMNQJPARICAHJG-PXNSSMCTSA-N 435.959 4.574 30 10 IJEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cc1C 464993158 DJDYAELNJKSGCH-HXUWFJFHSA-N 438.535 4.757 30 10 IJEE CC[C@H](C)n1c(SCC(=O)Nc2nc3c(cc2C#N)CCCC3)nnc1-c1ccccc1 484165567 PVYKPOSTZBMUCG-INIZCTEOSA-N 446.580 4.792 30 10 IJEE C[C@@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 495544721 DEQZDATZCNHGQY-OAHLLOKOSA-N 430.533 4.800 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 503056023 GLJAVLMUKDNDGG-QMHKHESXSA-N 425.554 4.616 30 10 IJEE C=CCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 508682676 NQUXPCPMYGLCAR-FQEVSTJZSA-N 437.931 4.638 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)c2cc(O)nc3ccc(Br)cc23)cc1 523153199 XDTDAPMGVZBCHG-UHFFFAOYSA-N 440.297 4.662 30 10 IJEE C=CCCCN(C)C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 524078874 AUTRSHFFQZHMMA-UHFFFAOYSA-N 437.359 4.712 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)c1OC 526520236 HAVZCAVJNSGLDY-QFIPXVFZSA-N 430.435 4.772 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)c1 526661265 ZYYYDBQODWBYJU-UHFFFAOYSA-N 440.528 4.613 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 555438925 AXBUZJXZIPSAQN-INIZCTEOSA-N 425.533 4.797 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCCO2)CC1 555485607 HBRITFVULBNYQQ-MRXNPFEDSA-N 434.371 4.951 30 10 IJEE N#Cc1ccc(CN(CCc2ccc(F)cc2)S(=O)(=O)c2ccccc2Cl)cc1 586172843 JXPVNOMIJKYZKS-UHFFFAOYSA-N 428.916 4.784 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)c(F)c1 610635572 DQCGHJWGVKIWKG-UHFFFAOYSA-N 442.903 4.664 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccnc1 623014744 FGXZBAAXXXEXQW-GJZGRUSLSA-N 427.961 4.538 30 10 IJEE O=C(/C=C\c1ccc(OCc2occc2C(=O)O)cc1)c1ccc(C(F)(F)F)nc1O 731563013 KMBAMNAYYSUQGQ-CLTKARDFSA-N 433.338 4.572 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 801543373 AIBTVEDRLIFONK-UHFFFAOYSA-N 440.849 4.625 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 807467072 KQJFLYIQNQSBMT-UNMCSNQZSA-N 448.954 4.914 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CC[C@H](C)F)C2=O)cc1 814704666 XYQKDYOMVRQRJF-MGPUTAFESA-N 441.528 4.598 30 10 IJEE CC1(C)CC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)c2ccccc21 1127183213 BMXHTYGDEYRRFS-INIZCTEOSA-N 427.342 4.671 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@@H]2CCOc3ccc(CC)cc32)nnc1-c1ccco1 1127887279 YWGDLOFCUYVPAR-LJQANCHMSA-N 439.537 4.836 30 10 IJEE COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1ccc(COc2ccccc2C#N)o1 1129215603 CMLMWYLRBSVAFH-QFIPXVFZSA-N 431.444 4.751 30 10 IJEE C=C(C)[C@@H](CC(=O)Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1)OCC 1131229248 TUGGEALHZCFTRC-OAHLLOKOSA-N 435.347 4.759 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 1146895143 MTAPUNQDCUWIEA-DEOSSOPVSA-N 430.504 4.535 30 10 IJEE COc1ccc(C2(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)CCCC2)cc1 1156560617 HIPUAMNENOJSIN-HSZRJFAPSA-N 437.971 4.569 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1161580620 ORHIQQFQBLLIDN-ISKFKSNPSA-N 445.563 4.696 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)c1ccccn1 1171655172 MRKFYWAIIQRXDO-LEWJYISDSA-N 443.975 4.908 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c12 1171921061 QYKSGXOMSQYDGY-IAGOWNOFSA-N 429.586 4.753 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1OCC 1203161433 NRAPGYUQMYVURT-QUCCMNQESA-N 448.405 4.647 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)C1 1203354540 XUFCXMAABBPAMC-QHCPKHFHSA-N 436.987 4.512 30 10 IJEE C#CCCS(=O)(=O)N(C)[C@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)C1=O 1212054922 TWXWPJLBVBBJCF-QWYDYZLZSA-N 448.009 4.718 30 10 IJEE C=CC[C@H]1N(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CCCC1(C)C 1215504043 IJQDXOPKADDBKO-JOCHJYFZSA-N 441.597 4.764 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC)c1ccc(Cl)cc1 1216722619 VFYQZRBENUHDSL-HXUWFJFHSA-N 441.959 4.850 30 10 IJEE CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[C@H](CC)CN1C(C)=O 1233981448 GOEMEAOJAGUZMZ-ZYKLXPEUSA-N 432.568 4.717 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cnc(-c2c(F)cccc2F)s1 1264280999 OGBCYQXYYGTHGG-UHFFFAOYSA-N 445.443 4.831 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(Br)c(Cl)c2F)cc(OC)c1OC 1264831047 HZKDZTRBMPJFQA-UHFFFAOYSA-N 442.712 4.917 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)n1 1276370355 ACSXLPYVVWKCNU-UHFFFAOYSA-N 429.480 4.542 30 10 IJEE CC(C)CCOc1ccc(NC(=O)COc2cccc(Br)c2C#N)cc1F 1277567608 HDESQZVVIZXGHP-UHFFFAOYSA-N 435.293 4.902 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1286496997 YIUQECROXWHZSA-GPHNJDIKSA-N 442.604 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1CCCSC 1286516798 KRLWTXKNCIPAJU-LJQANCHMSA-N 437.382 4.592 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCO[C@@H]1C(=C)C 1286566762 IRSPOXSLHQDVJT-NNMXDRDESA-N 428.552 4.941 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C)C1 1286612988 MMWXNTFISYWCSE-INIZCTEOSA-N 439.387 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1N1CCOCC1 1286671967 CSZTUIGLXHJXLW-UHFFFAOYSA-N 439.648 4.942 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286683981 CXHUEKDHHCBDTM-SFHVURJKSA-N 430.980 4.729 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 1286707285 ZMZOPKZYLWBGSW-UHFFFAOYSA-N 438.551 4.563 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCCNC(=O)OC(C)(C)C 1286714042 KSSSNBGJYRCTMZ-LJQANCHMSA-N 443.592 4.572 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](c1cccs1)N(C)C 1286722672 PMBDYOZWIGBYDE-IBGZPJMESA-N 434.569 4.587 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCC1 1286750327 XYKNGTCJCHSNND-UHFFFAOYSA-N 438.597 4.643 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 1293976466 NXSVTVIZTGDFDH-WDEREUQCSA-N 441.903 4.765 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1cnc(C)s1 1300569221 GVLCRHYNIKZCBV-UHFFFAOYSA-N 447.608 4.646 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1=CCCCC1 1300653554 NIDUUFUSQPTCBI-UHFFFAOYSA-N 447.608 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCCCOC(C)C 1300788878 PCVRWAXBBUVAKT-JOCHJYFZSA-N 445.405 4.905 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1300930837 NIEXJACPILOIJE-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301138673 CCDPPQRIPAUQJY-NRFANRHFSA-N 434.588 4.803 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N(CC)Cc1cnn(C)c1 1301178414 LAALCZOTHUPQGJ-UHFFFAOYSA-N 443.393 4.824 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC 1301186897 LHXXATKJUMYXMO-UGKGYDQZSA-N 440.588 4.887 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@](C)(O)[C@@H](C)CC)C1CC1 1301316200 HUYOEYLAGKWXAF-YCRPNKLZSA-N 433.394 4.660 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)CN(C)C 1301374557 BGYXCKWWAJGGQK-GOSISDBHSA-N 427.662 4.898 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS[C@@H](C)[C@@H]1C 1301617338 DEIVEDWDFOIXFL-ROUUACIJSA-N 427.643 4.531 30 10 IJEE Cc1ccc(-c2cccc(CNS(=O)(=O)c3cc(Br)cc(C#N)c3)c2)cc1 1309312310 HJFFOBMKCDZBSP-UHFFFAOYSA-N 441.350 4.775 30 10 IJEE C=CCC1(CNC(=O)NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)CCCC1 1312686007 KTJYAOBODGDYOB-GOSISDBHSA-N 438.412 4.891 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cc(Br)nn1-c1ccc(C)cc1 1348610458 AKNZNWMVWYGSIS-UHFFFAOYSA-N 427.298 4.900 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1358936458 NXYJERPDKXDGKT-RZUBCFFCSA-N 440.588 4.691 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1nc2c(s1)C[C@@H](C)CC2 1359013266 REXJURMGPIJMHK-SFHVURJKSA-N 449.624 4.563 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](COCC)C1 1359127890 DAVQCZACWPHNBP-RBUKOAKNSA-N 444.645 4.587 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1359155552 BTZXDIUBNHMNCF-UXHICEINSA-N 430.980 4.702 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccs1 1359157259 DOLKGQWSXHFKQJ-INIZCTEOSA-N 437.997 4.801 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)c1nc(C)cs1)C1CC1 1359247453 CFVHWUNGDFGBJS-HNNXBMFYSA-N 439.585 4.686 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCCC[C@H]1C)C1CC1 1359252089 DYGGKHQGKUZIMM-LJQANCHMSA-N 428.024 4.942 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1359289651 YTRQFQQKZTZHTQ-HXUWFJFHSA-N 444.023 4.645 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(c2ccccn2)CCC1 1359466378 AFGBWURPQQDJOU-RBUKOAKNSA-N 448.546 4.670 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 1434998895 XCWPPYKBLGKQMW-ROUUACIJSA-N 433.277 4.815 30 10 IJEE C=CCC[C@H](NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)c1ccc(C(F)(F)F)cc1 1435632940 BXCPAVHKDRJSGC-JICACKBISA-N 427.444 4.539 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(Cl)c2Br)CCCN1C(=O)OC(C)(C)C 1436156384 RNWUAXQZUMWUKT-LJQANCHMSA-N 441.753 4.834 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1OC(F)(F)F 1440828073 MKYNVSWDWYMORF-CQSZACIVSA-N 436.858 4.580 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cc(C)c(Cl)cc2O)C1 1453945180 MGNUGLKGFZOHJY-LPHOPBHVSA-N 436.980 4.920 30 10 IJEE C=CCn1c(SC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1-c1cccc(OC)c1 1458980347 GWIHARAJRAERHI-QGZVFWFLSA-N 444.601 4.879 30 10 IJEE C#C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1F 1460787511 LMNWGLVMQWONBG-GOSISDBHSA-N 432.282 4.996 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 1461775128 WTAAXPZWZLQGGV-ISLYRVAYSA-N 444.531 4.671 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)CC 1463631772 CLHIZSLRNSQDSW-KSFYIVLOSA-N 426.944 4.951 30 10 IJEE CCCc1c(NC(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)cnn1-c1cccc(C#N)c1 1466215391 ABFLJQNNIGDZNK-NRFANRHFSA-N 433.487 4.521 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1 1466986897 IOSGWVBIBUVKRO-KDURUIRLSA-N 427.520 4.981 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ccc(CNC(C)=O)cc1)c1ccc(C(F)(F)F)cc1 1469491167 JYUGQIZHDMTEBG-OAQYLSRUSA-N 433.474 4.848 30 10 IJEE C=CC1(CC(=O)N2C[C@H](c3cccc(Cl)c3)OCC2(C)C)CN(C(=O)OC(C)(C)C)C1 1470146376 IGGVVZPPMCSCRW-LJQANCHMSA-N 448.991 4.832 30 10 IJEE C=CCOc1c(Br)cc(CNCC2([C@H](O)c3ccccc3)CC2)cc1OC 1474081088 MPEKVICFLXQXNH-OAQYLSRUSA-N 432.358 4.626 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cc1OC 1474316550 RYAPGMKPBGZGGO-QFIPXVFZSA-N 435.008 4.917 30 10 IJEE CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 1475053551 HIGRIFBLSTUCNW-QHCPKHFHSA-N 439.968 4.969 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1478054339 SITLXJAEBICZJT-WOJBJXKFSA-N 429.511 4.743 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCCN1CCCCC1 1507605589 WFSNYNZTAJISCI-UHFFFAOYSA-N 430.600 4.527 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)N1CCC[C@H](C)C1 1507659516 AKORHZRTIBSUAJ-UKILVPOCSA-N 445.655 4.793 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1507802370 BMZXEZYUDACUKA-KGLIPLIRSA-N 440.432 4.704 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1507837999 YVFKTFLHNVICGO-QZTJIDSGSA-N 448.995 4.668 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2oc(CCC)nc2C)CC1 1507889118 UISNUOFTTADYRY-UHFFFAOYSA-N 435.572 4.928 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1507918442 CMVZZAUGWZDZDV-GHTZIAJQSA-N 428.552 4.604 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](SC)C1)c1ccccc1 1507924331 LOXXJPCXZNDTOJ-BHIFYINESA-N 426.630 4.864 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC(=O)NC)CC1 1507926219 CIHLFASJXIEGGE-UHFFFAOYSA-N 437.632 4.951 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1507926809 UXQYIJXOSRQBOZ-QZTJIDSGSA-N 446.979 4.817 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccccc2F)C1 1507972151 ZFKPEIZPPRLYQW-CTYIDZIISA-N 430.325 4.916 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1507991561 ZGFYUAVOGNOYBX-UHFFFAOYSA-N 446.599 4.829 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1ccc(C)c(OC)c1 1508007166 ULXUOURWORGQGC-UHFFFAOYSA-N 446.580 4.549 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)OC 1513278945 FAYYLAHZWKYHIV-PGRDOPGGSA-N 439.604 4.662 30 10 IJEE C=CCC[C@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)c1ccc(C(F)(F)F)cc1 1520112328 DURWKHAKGGUWOA-QAPCUYQASA-N 432.442 4.643 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)c1ccc(Br)cc1 1525054424 NCJIUTJFFBQFEH-GXFFZTMASA-N 427.161 4.867 30 10 IJEE Cn1nc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1Br 1525276652 FIVMLTRZRJGYNH-HNNXBMFYSA-N 429.705 4.744 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](OC)c2ccc(Br)s2)cc1 1526772944 AHNFRXUBJPCPIM-SFHVURJKSA-N 449.370 4.651 30 10 IJEE C#CCN(C(=O)c1cc2cc(F)ccc2o1)[C@@H]1CCOc2ccc(Br)cc21 1529627043 JJHUNODZHYGRDW-QGZVFWFLSA-N 428.257 4.934 30 10 IJEE C=CC[C@H]1CCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)C1 1529815776 QVOUXKGRXUYPPJ-INIZCTEOSA-N 442.972 4.757 30 10 IJEE N#Cc1ccc(SCC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)cc1 1538183981 HMWFGDFELUIPSR-UHFFFAOYSA-N 427.938 4.770 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)NCCCC)CC1 1539049081 GXKWNCLBYIOKDC-UHFFFAOYSA-N 442.007 4.535 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(C)C)C1 1539118701 DLTGZSKUVFVTIX-RTWAWAEBSA-N 443.636 4.678 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccccc1 1539186229 NDNHKETWDZFTKZ-URAOTHONSA-N 428.554 4.567 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(C(F)(F)F)c1 1539301939 XGWMYDVSRXTPHV-UHFFFAOYSA-N 443.860 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCC1CC(OCC)C1 1539569121 IWBJFHNEQMYEOP-YDJYNLAZSA-N 436.600 4.617 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccccc1C 1539644293 OBPPZGGRXREBTI-RCZVLFRGSA-N 438.616 4.816 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)c1cccs1 1539750953 XSOKWJUBBWEDKN-MRXNPFEDSA-N 432.540 4.999 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(CO)CC1 1539905514 BILURENCZQQKLQ-UHFFFAOYSA-N 433.394 4.519 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1539959738 QGXVYRXAGLKWOD-UHFFFAOYSA-N 449.624 4.942 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1CCC(OC)CC1 1540092674 PZHLTZKTNFDKKX-MHJFOBGBSA-N 447.624 4.568 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(C)CCCO1 1540158184 BPIDYRPUXVYWBJ-HXUWFJFHSA-N 435.341 4.594 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCOC[C@H]1C 1540191204 HGWVQVFYSRQMLZ-TZIWHRDSSA-N 426.605 4.554 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2csc(C)c2)C1 1540895264 OGRSXJLYCYDVEB-NRFANRHFSA-N 438.597 4.673 30 10 IJEE C=CCn1c(SCc2noc(C(C)(C)C)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1559307922 UFTMOPSAYPNFMD-LBPRGKRZSA-N 430.599 4.742 30 10 IJEE CCOC(=O)Nc1ccc(NCc2csc(N(C(C)=O)c3ccccc3)n2)cc1C#N 1560748758 CLTNTPVEHLCGII-UHFFFAOYSA-N 435.509 4.880 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(F)c(Br)c1F 1561066129 JQLMWMSGMGTGIL-UHFFFAOYSA-N 442.734 4.819 30 10 IJEE C=CCCCNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 1564696008 SLXMQVRPSMJGBW-UGKGYDQZSA-N 440.515 4.715 30 10 IJEE C#CCN(C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1CCCc2ccccc21 1564965596 IWNHJKQVQMDTCJ-DEOSSOPVSA-N 447.579 4.934 30 10 IJEE C=CCn1c(SCC(=O)N(C)c2cccc(Cl)n2)nnc1-c1ccc(Cl)cc1 1583356341 XIXYWBYUBKTLKK-UHFFFAOYSA-N 434.352 4.588 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 1584393760 FICOLGGWUYLPOX-RDJZCZTQSA-N 447.432 4.528 30 10 IJEE CC#CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 1586905244 JHCDSIJLRANBGM-UHFFFAOYSA-N 449.370 4.690 30 10 IJEE CCN(C(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2)[C@@H](C)C#N 1587000440 GLVVWJHOVPQBTN-NSHDSACASA-N 444.379 4.773 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cccc(C(F)(F)F)n1 1587939849 HBKCTBIVXLCHIR-UHFFFAOYSA-N 440.256 4.783 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1588281041 WPFJTHYWRNFULL-FQEVSTJZSA-N 444.526 4.888 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCC[C@@H]1C 1589151277 WHWWQWSZVJKYFW-JDBHKMHASA-N 436.600 4.578 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1589675532 FIQNBALJNOCAAF-SJORKVTESA-N 437.613 4.969 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1593671806 RNYGUEYLZFMOKP-UHFFFAOYSA-N 432.012 4.645 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1593695540 FWRBWSHLNCFDCD-VRXWPRPYSA-N 430.980 4.899 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1593711835 JRTAMMLXECLORF-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)CCc1ccc(Br)cc1 1594728040 WNEFRWSOKFLQCV-IBGZPJMESA-N 433.394 4.927 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C1CCCCC1)N(C)C)C1CC1 1595058431 LQXBXGUYDNBVSA-QHCPKHFHSA-N 425.596 4.673 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1-n1cccn1 1595234221 LMNADDPSLIEWQU-FYYLOGMGSA-N 446.599 4.609 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1595319262 JHCPTRCVTFTTNF-HXUWFJFHSA-N 441.620 4.561 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@](C)(CC)C1 1595845586 WOAIDNRIUCOHIH-HYBUGGRVSA-N 444.645 4.959 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@](C)(OC)C1 1595854482 CYDTWMZXZQVDLJ-OAQYLSRUSA-N 437.009 4.532 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2ccccc2C)C1 1595895174 IAYCMERACQAVPP-QFIPXVFZSA-N 426.630 4.816 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1CCOCC1 1611896787 GOPSCHPBNQCOBF-QAPCUYQASA-N 445.995 4.711 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC)C2)cn1 1615011351 IEGZUBJFSULYQX-IBGZPJMESA-N 430.556 4.675 30 10 IJEE C=CCC1(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)CCOCC1 1617497356 WMAOINXBISLYNG-UHFFFAOYSA-N 437.515 4.727 30 10 IJEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2C[C@H](SC)C(C)(C)C)cc1 1619232896 BEZGBWDERYMSFG-NRFANRHFSA-N 441.645 4.590 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2cccs2)C1 1620347795 CTLGHGXVEUIWBH-FQEVSTJZSA-N 447.992 4.970 30 10 IJEE CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 1621767796 CJINSMIVIAVFSS-DSITVLBTSA-N 445.673 4.890 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 1622076607 AXOSRDQUHFEXAK-MRXNPFEDSA-N 443.725 4.639 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 1622698990 HODIWMBZXBNVBI-UHFFFAOYSA-N 441.597 4.860 30 10 IJEE C#CC[C@]1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCCN1C(=O)OC(C)(C)C 1626322104 GKCLYRJSCRMWFV-HHHXNRCGSA-N 430.548 4.989 30 10 IJEE COc1cc(NC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c(F)cc1C#N 1626517833 HDUCPEQQLHLAAS-GOSISDBHSA-N 430.911 4.536 30 10 IJEE C=CCn1cc2ccc(NC(=O)Cc3csc(-c4ccc(OC)c(OC)c4)n3)cc2n1 1626672694 YDKXBBFYSGDPTL-UHFFFAOYSA-N 434.521 4.544 30 10 IJEE N#Cc1cc(Cl)c(C(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c(Cl)c1 1627707926 AHSQLDPHZJUVPI-NDEPHWFRSA-N 437.348 4.545 30 10 IJEE C[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OCc2cccnc2)cc1 1628696636 FYSCIWMSYMLWIR-IQGLISFBSA-N 426.520 4.970 30 10 IJEE CC1(c2cccc(CNC(=O)c3ccc(Sc4ccccc4C#N)cc3)c2)OCCO1 1628804705 BFMUQYKFQLWGIC-UHFFFAOYSA-N 430.529 4.859 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCc2cc(Br)ccc21 1629897260 HYFPXEXXHYIFOO-OALUTQOASA-N 449.389 4.640 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccn1)c1ccccc1OC 1632192826 WIGFNELOCVJQOZ-IFMALSPDSA-N 439.556 4.545 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 1633625185 GJJYPMMUVJJCPF-ADSBAMQRSA-N 436.618 4.922 30 10 IJEE C#CCC[C@H](O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 1633895547 IYRVDMSOCIPABP-PUWPPSGDSA-N 430.935 4.879 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1)c1ccccc1 1638029017 DIMJJYGADZLCJE-VWLOTQADSA-N 433.596 4.961 30 10 IJEE C=CCn1c(Sc2ccnc(Cc3ccc(F)cc3)n2)nc2cc(Cl)ccc2c1=O 1639164305 HWNSCJKHLBSDRW-UHFFFAOYSA-N 438.915 4.907 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)Cc2cc(=O)n3cc(Br)ccc3n2)c1 1644927948 NZKDHVVYULDDIG-UHFFFAOYSA-N 444.332 4.645 30 10 IJEE C#CCOc1ccc(F)cc1NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 1655734713 SDTDSYCETCHPFB-QGZVFWFLSA-N 428.504 4.601 30 10 IJEE Cc1ccc(C(C)(C)C)cc1SCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1656028058 GRDAFUYASKLASJ-LJQANCHMSA-N 427.639 4.855 30 10 IJEE C=CCn1c(SCCCOc2ccc(OC)cc2)nc2sc3c(c2c1=O)CCC3 1656058048 JPTHKZYRFPXNPE-UHFFFAOYSA-N 428.579 4.703 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1 1667087076 ZXUXUQSZMNEWRK-UHFFFAOYSA-N 433.154 4.952 30 10 IJEE C=CCc1cc(CNC(=O)N2CCc3oc(-c4ccccc4)cc3C2)cc(OC)c1OC 1667711329 PYHHNTOIIVLHCL-UHFFFAOYSA-N 432.520 4.960 30 10 IJEE Cc1nc(C)n(Cc2cccc(NC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c2)n1 1669050184 BVCQXUJUYZGIFU-UHFFFAOYSA-N 442.548 4.865 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1)C1CCOCC1 1669984902 YNIMUPOPKPUUIM-GOSISDBHSA-N 429.973 4.815 30 10 IJEE C=CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)[C@@H](C)COC 1671089307 UQDIPYLXNVJBGC-ZDUSSCGKSA-N 438.475 4.679 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1(C)C 1671569833 BTGBZXWCQWNROW-GOSISDBHSA-N 430.549 4.645 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccccc1N1CCCC1 1672708004 BWRQECPFNMDPEF-UHFFFAOYSA-N 430.346 4.936 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc(N2CCN3CCC[C@H]3C2)cc1)c1ccc(F)c(F)c1 1674120357 YTALZLNVYDNUOF-REWPJTCUSA-N 426.511 4.688 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(C)C 1675585379 WEBUPGHMOBVVTL-NRFANRHFSA-N 439.431 4.524 30 10 IJEE C#CC[C@H](NC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1ccccc1 1680516170 WTHLVICBLJSIGJ-PMACEKPBSA-N 438.877 4.582 30 10 IJEE C[C@H](C#N)CNC(=O)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1681272594 CNPZVUVRRMRPHX-KZULUSFZSA-N 438.728 4.984 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1681784993 YWOKMNSLCAUBOE-RXVVDRJESA-N 447.913 4.839 30 10 IJEE CN(C)C[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(C(F)(F)F)c1 1683258800 GYSYSPNXIYQFAT-NHCUHLMSSA-N 430.474 4.557 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1ccc(Cl)s1 1690051236 RFOXBBKLLVCFSD-UHFFFAOYSA-N 447.995 4.771 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1CSC 1690157765 ORWSRSUHCHFVHT-VQTJNVASSA-N 444.670 4.733 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)CC1 1690221963 FDMSACGRRKJNBX-UHFFFAOYSA-N 435.675 4.882 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(Sc2ccccc2)CC1 1690269738 FXMBBTYLSRFORO-UHFFFAOYSA-N 436.629 4.867 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690278482 CFQZDPSQJZNSPY-PKOBYXMFSA-N 441.645 4.593 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1690368828 NOSNYBYCUOTGBH-INIZCTEOSA-N 427.911 4.757 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2nccs2)CC1 1690399448 XDXCIOVTZYFSAO-INIZCTEOSA-N 427.549 4.659 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690474178 UUWPXWXVJYOQAS-GOSISDBHSA-N 429.977 4.908 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC2CCCCC2)CC1 1690491747 HOBDAJLLTZYWMY-UHFFFAOYSA-N 437.632 4.834 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC=CO1 1690572307 YNQISCCXNHPXMD-FQEVSTJZSA-N 439.560 4.658 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccc(F)c(COC)c1 1690581681 WLIDCGMQCMWSHT-OAQYLSRUSA-N 442.560 4.718 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)c2ncc(C)s2)C1 1690694940 YAEZBNQGYLPZTO-NVXWUHKLSA-N 444.004 4.948 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1694844609 DEPAHGJFCCGHMK-FMWKFLBASA-N 439.629 4.885 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)c1cccc(C)c1 1705479817 MASQSVOPSHSNAK-IRXDYDNUSA-N 440.389 4.616 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1c(C)noc1C 1705482497 APYXZLLYWDHSHQ-NEPJUHHUSA-N 448.390 4.636 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)c1ccccc1 1705504964 FNGWFDACMLMIOJ-SBHAEUEKSA-N 437.588 4.612 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@@H](c1cccs1)N(C)C 1705619342 NSYMAUSECYFFPP-NQIIRXRSSA-N 439.604 4.935 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705807622 JIHSGOGZPYAEBN-UHFFFAOYSA-N 444.023 4.762 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCN1CCCCCC1 1705862963 ZTOSUABNYUCXGC-UHFFFAOYSA-N 434.563 4.548 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCSC(C)(C)C1)c1cccnc1 1706256772 GHPAIKDLAIHTMH-JOCHJYFZSA-N 446.624 4.983 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 1722335328 MCFHWCDPUSLLJC-UHFFFAOYSA-N 445.533 4.770 30 10 IJEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCCc2sccc2C1 1722463118 XCOZBSMJPPETGJ-UHFFFAOYSA-N 436.650 4.834 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCC(C)C 1722468232 LSQYRASVHIAVBP-OAQYLSRUSA-N 431.378 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H](OC)[C@H](C)CC 1722469679 ISIOIALSVYPWHL-ZWDAVXSWSA-N 445.405 4.761 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H]1CCCOC1 1722546079 FXVLFMFFZWRJOD-FQEVSTJZSA-N 439.991 4.968 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2c(ccnc2O)C1 1722557917 XKBXRIWHALPGGB-UHFFFAOYSA-N 448.379 4.640 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCCCCC2)CC1 1722562400 XTOCZGBQSCANSS-UHFFFAOYSA-N 444.421 4.740 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@](C)(O)C2CCCCC2)CC1 1722568248 FBDSCGXDMLRCQJ-AREMUKBSSA-N 438.616 4.962 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1722583092 RCALBDPGLNOBCA-MHECFPHRSA-N 444.645 4.779 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722606807 URXIIYMIXOMPLX-JOCHJYFZSA-N 434.588 4.769 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722611566 LVSGOPDCARMCMP-UHFFFAOYSA-N 435.616 4.839 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722736302 YBOQOTJPILXEIR-KRWDZBQOSA-N 440.535 4.720 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCc1scnc1C 1728442164 CLACUDJVBXJFFI-UHFFFAOYSA-N 434.594 4.912 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1740533927 DYXVXSLMEBNUKP-DOYXTRFRSA-N 436.600 4.698 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCN1CCCC[C@H]1C 1740603272 LROXSGIJHQZSGG-VQTJNVASSA-N 439.673 4.855 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CC[C@H](Cc2ccccc2)C1 1740747319 DUCMGHUQIIUMRE-HXUWFJFHSA-N 429.406 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[C@H]1CCO[C@H](C)C1 1740764692 IVTGGGIDFWLOKV-RTWAWAEBSA-N 439.604 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCSC(CC)(CC)C1 1740851247 YLWFCLNPTZSQAX-UHFFFAOYSA-N 430.666 4.854 30 10 IJEE C=CCCCn1c(N(C)Cc2ccccc2C(F)(F)F)nnc1[C@@]1(OCC)CCOC1 1740882005 XDVMCIYWCFYDCD-OAQYLSRUSA-N 438.494 4.552 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc3ccccc3o2)n1CCC(=O)NC(C)C 1740922650 OCRHQLWXKRATTN-UHFFFAOYSA-N 449.580 4.860 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCO[C@H]1C 1740925604 PKZWGDVIAGDPBJ-NYHFZMIOSA-N 444.988 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H](F)c1ccc(Br)cc1 1740929386 SCHPUTATSYPLTR-IBGZPJMESA-N 442.336 4.992 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccsc1Br 1748659058 ALSAHFTYJVVHGD-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](c1ccco1)N(C)C 1748686283 MHJFBJOUDUINFR-UGKGYDQZSA-N 449.599 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCO[C@@H]1C(C)C 1748876897 XXNIZQMVNSAEHG-XMSQKQJNSA-N 442.966 4.652 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1ncc(CC)s1 1749068976 RIKLBXIWJJCLSC-JOCHJYFZSA-N 425.989 4.582 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@H](SC)C1 1749193219 BFFLQFOQIRXCAR-IBGZPJMESA-N 449.665 4.691 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1749220456 IESLKDPNLVFGJL-RTWAWAEBSA-N 445.007 4.975 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1749299772 XNEZYCNSNQQDNG-LJQANCHMSA-N 442.336 4.970 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC[C@H]1CCO[C@H](C)C1 1749537197 BRQNVPCRFUUBSP-YADHBBJMSA-N 431.584 4.662 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(CC#N)CC1 1749745698 DXYUAYDNVNKFIZ-UHFFFAOYSA-N 432.597 4.851 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C2CCOCC2)C1 1760141659 DLYJKOOONDFYCC-HSZRJFAPSA-N 436.600 4.530 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1ccc(F)cc1 1760167506 SAUZNYMZUNOXGG-ZDUSSCGKSA-N 433.350 4.781 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1C[C@@H](C)O[C@H](C)C1 1760289693 QZLKDSZTZVGSIH-UHYQSWOWSA-N 440.563 4.753 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@@H]1C(C)C 1760291284 JDBKGRJIWYNYKJ-XVWGUNQUSA-N 442.991 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccccc2Cl)CC1 1760315423 FIASVNJJFXJDDX-JQVVWYNYSA-N 444.023 4.753 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccc(C(N)=O)c1 1760330581 IHALZSAWXXWGTA-QGZVFWFLSA-N 449.624 4.681 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC[C@H]1CC 1760336964 BOQZDPVVKORUEV-IFMALSPDSA-N 437.636 4.681 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2CCCS2)CC1 1760382275 MZJJBNYLURGYDL-WIYYLYMNSA-N 428.602 4.869 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1760391770 QNYPDVNPEJOHNG-DHIUTWEWSA-N 435.660 4.976 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCC(F)F)CC1 1760398891 QDVQDHQPBLVUNE-UHFFFAOYSA-N 431.314 4.936 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1760403416 RGEDKMGDGPQIRA-JOCHJYFZSA-N 425.596 4.531 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1CCC(C)CC1 1760432232 IQIXWELTHSPRIY-UHFFFAOYSA-N 428.577 4.952 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(F)(F)F)CC1 1760453267 QYELDZYEIHQAPQ-QZTJIDSGSA-N 444.542 4.568 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1Cc1oc(CC)nc1C)C1CC1 1760470743 BOZVJBJKAOSQJW-INIZCTEOSA-N 425.508 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CCCN1CCC 1760491071 RZIDCNFMZBACGW-NRFANRHFSA-N 430.600 4.855 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1760506277 AUAKUSPEZKLIOF-PMACEKPBSA-N 446.599 4.509 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1760509036 FVPBLKMXZVONTK-OAQYLSRUSA-N 446.599 4.592 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 1760541728 GSYQUKQURGDFDP-MXEMCNAFSA-N 446.636 4.531 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccsc1 1760559464 HRQFHPYVTYQSLY-UHFFFAOYSA-N 438.420 4.653 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760563006 CUOLTJWWRGBKRT-RHSMWYFYSA-N 426.508 4.508 30 10 IJEE CC(C)[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1)NC(=O)OC(C)(C)C 1760874548 GQSURNHNMAKQNK-CYFREDJKSA-N 444.624 4.615 30 10 IJEE CCCN(CCC)CCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](F)(C#N)C1 1764352921 IBIAMJOFMYMPEP-DEOSSOPVSA-N 438.551 4.645 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1CCC[C@H]1CCCCO1 1769865823 BHCOYYWYWZJVKF-LJQANCHMSA-N 443.979 4.696 30 10 IJEE COc1ccc(CCn2c(O)c(N=Nc3ccccc3F)c(C)c(C#N)c2=O)cc1OC 1772740891 MELLZGWPYJPCMP-UHFFFAOYSA-N 436.443 4.548 30 10 IJEE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)cc1 1772751822 ZNGJQQLDTMRDCR-UHFFFAOYSA-N 448.548 4.876 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)cc2)cc1 1862392102 PQIJGJNPWJZFDD-BTYIYWSLSA-N 427.928 4.642 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2cccc(O)c2)cc1OCCC 1862425999 LMHNWEPUAMLKRA-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1862432938 QHXHQYDZKYJYLN-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1OC 1862475798 VACDBJZWIXWMIG-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(O)cc1 1862523729 NYCVBYYSSZZBGA-KZULUSFZSA-N 430.298 4.532 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccccc1Br 1862540917 ZCSLDNHJZCAOOI-LJQANCHMSA-N 426.310 4.776 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccccc1Cl 1862545679 GKGJRNXYIOZMMZ-QFIPXVFZSA-N 439.939 4.834 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2)cc1OC 1862575627 BCGYRESOAQBMKL-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2C2CCCCCC2)cc1 1862594351 COPSECAHNRORRQ-QHCPKHFHSA-N 434.536 4.759 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862655794 PJAGVYQQDNKQAY-JOCHJYFZSA-N 446.459 4.832 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1C 1862674715 RMLAMCPQOVXCLE-QHCPKHFHSA-N 438.543 4.834 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(OC)c1 1862692745 SXBMQXPQIRTOHH-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2ccccc2F)c1 1862702455 CKCJPZDGLVGGIY-XMMPIXPASA-N 445.490 4.964 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc4c(O)cccc34)=C(c3cccs3)C2=O)c1 1863113845 YVPCIRIXFVSCCX-UHFFFAOYSA-N 437.480 4.875 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(CCCCc2ccccc2)C1=O 1863151877 NCKYPAVSXWQINP-UHFFFAOYSA-N 439.490 4.912 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1ccccc1Cl 1864223557 HQEWRUOWSPDAQW-LJQANCHMSA-N 445.007 4.807 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 1866698309 YYXUXESMXRPGDE-LOSJGSFVSA-N 440.547 4.593 30 10 IJEE C[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1cccc(C#N)c1 1867117350 PHPANFYFCGJVAO-IIBYNOLFSA-N 433.458 4.502 30 10 IJEE CCc1ccc(-c2nc(CC(=O)N[C@](C)(CC)C(=O)Nc3cccc(C#N)c3)c(C)o2)cc1 1867180397 LVRLUWSSJNHKJP-AREMUKBSSA-N 444.535 4.550 30 10 IJEE Cc1ccccc1-c1nc(Nc2ccccc2C#N)cc(N2CCC(c3ncncn3)CC2)n1 1868307167 NEYRIWAXSZQVTH-UHFFFAOYSA-N 448.534 4.636 30 10 IJEE CC(C)c1ccc(-n2nnc(C#N)c2NC(=O)COc2ccc(Cl)cc2Cl)cc1 1870146004 ZSJJJQLXLIYLFM-UHFFFAOYSA-N 430.295 4.587 30 10 IJEE N#Cc1nnn(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1cc(Cl)ccc1Cl 1870153580 APEDJSYQEIUTOS-UHFFFAOYSA-N 441.322 4.688 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1CCC[C@H](C)C1 1870449256 ZZQPQIRLPQMDIY-NRFANRHFSA-N 434.621 4.773 30 10 IJEE C=CCOc1cn(CCN(CC)CC)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870811007 BVJQAAMJJGHDLZ-UHFFFAOYSA-N 440.632 4.522 30 10 IJEE COc1ccc2c(c1)c(/C=C1\Oc3cc(O[C@@H](C)C(=O)OC(C)C)cc(C)c3C1=O)cn2C 1871400619 GQEZQWRBHOYBLU-CUOULEQJSA-N 449.503 4.830 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871435096 YZKBFNHUWFFACY-OBJYXWAWSA-N 441.483 4.563 30 10 IJEE O=C(CCOc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)Nc1ccccc1 1871446637 GNUOJJDVSXUJBE-HMAPJEAMSA-N 430.416 4.619 30 10 IJEE COc1ccc(C)cc1NC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871446719 OYQZCSIINIRREO-HAHDFKILSA-N 444.487 4.731 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C)S(=O)(=O)C1CC1 1871838656 QFVDDUWKVJUSJL-HSZRJFAPSA-N 442.581 4.812 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccs1 1872229886 JJMUJTNJLYZVSW-KRWDZBQOSA-N 426.991 4.776 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1)S(=O)(=O)c1cccs1 1872535307 ZLUVDMPKJPGDLH-QFIPXVFZSA-N 440.590 4.922 30 10 IJEE C=CCN([C@H](CCSC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872554434 WDQUKAXQVKTQSX-JOCHJYFZSA-N 446.638 4.549 30 10 IJEE CCCCCCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2cccc3ccccc23)C1=O 1873025395 AWLHXAKHCNZYKH-UHFFFAOYSA-N 447.623 4.964 30 10 IJEE COc1ccc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)c(OC)c1 1874233596 QZWUTDGXNVAXSK-PCLIKHOPSA-N 432.549 4.838 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2/N=C/c2c[nH]c3ccccc23)cc1C 1874331841 IJIFANVPUDCJRL-WGOQTCKBSA-N 433.581 4.518 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874340939 XVDNXDWSGFBFSX-SDCZFJSOSA-N 427.618 4.684 30 10 IJEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(O)cc2O)c1 1874410402 RNQSARRQVCVHQY-YDZHTSKRSA-N 436.562 4.825 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1O 1874452255 MKRHLLFASGOHQO-MFKUBSTISA-N 449.580 4.817 30 10 IJEE CCCSc1nnc(C2CCCC2)n1/N=C/c1cc(Br)cc(OC)c1O 1874456838 NCVPUXATHXYJGP-RGVLZGJSSA-N 439.379 4.797 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3Cl)nnc2C2CC2)ccc1O 1874520073 ZYZJKGCRSZKBBV-UFFVCSGVSA-N 429.889 4.597 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CC2)n1/N=C/c1ccc(Cl)cc1Cl 1874520808 WFFGKNZDAFOLNA-ODCIPOBUSA-N 427.357 4.636 30 10 IJEE Fc1cccc(Cl)c1COc1ccc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)cc1 1874560484 ZLZUVPOJBTULHU-RIDKEVFESA-N 432.908 4.672 30 10 IJEE CCN(CC)C(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cccc([N+](=O)[O-])c1 1874569820 HXKZSAGRUMCJIP-BUHFOSPRSA-N 432.476 4.891 30 10 IJEE CCCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1[N+](=O)[O-] 1874617224 QXGXGZINUMXVLI-VZUCSPMQSA-N 427.453 4.612 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cncc(C)c3)c2)c(OC)c1 1874714311 OXPJHJYTBQAEBQ-WEVVVXLNSA-N 433.460 4.531 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCCc3ccc(C)cc3)ncnc21 1875227831 NMLJRRVTWBOXJO-UHFFFAOYSA-N 439.563 4.853 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)n[nH]2)c1C 1890235924 WNVYUXSVKNQDIY-UHFFFAOYSA-N 436.516 4.981 30 10 IJEE Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)sc2nc(-c3ccccc3)cn12 1891155041 PJVMBSQUPKWBEQ-UHFFFAOYSA-N 442.544 4.927 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CC2)cc1 1891273770 WKNVZOJCAKCRLX-UHFFFAOYSA-N 436.490 4.875 30 10 IJEE Cn1nc(-c2ccc3ccccc3c2)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1891371225 RRQNYQNLAPNSGZ-UHFFFAOYSA-N 436.515 4.796 30 10 IJEE C#Cc1ccccc1[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 1894499755 SGDZGIHGBFBTPZ-LOSJGSFVSA-N 437.495 4.717 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)O1 1909805013 ZINCFTBFAKLDFU-VABKMULXSA-N 432.605 4.590 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)c1ccc(F)c(Br)c1 1922073434 DIGVKYOCJDCALX-FCHUYYIVSA-N 436.365 4.937 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCN(C)C(=O)OC(C)(C)C)cc1 2002699779 IRBGALJATOKZNN-QHCPKHFHSA-N 433.549 4.976 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC2(C)C)c1 2040575772 FMBSHGWORJGYBD-DEOSSOPVSA-N 445.560 4.976 30 10 IJEE CC(C)c1nn(-c2cc(Br)cc(C(F)(F)F)n2)c(Br)c1C#N 2080276457 JVWHPHHTZYKIGF-UHFFFAOYSA-N 438.045 4.806 30 10 IJEE Nc1cc(-c2cc(F)cc(C(F)(F)F)c2)nc2c(Br)c(C(F)(F)F)nn12 2081234684 SSXDUGNASGXLQS-UHFFFAOYSA-N 443.120 4.918 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NCCC 2110503544 KQDKLUGALMVTDF-ROUUACIJSA-N 443.813 4.930 30 10 IJEE CCCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)cnc1C#N 2174712549 QXMLCFNTQZMHKU-MRXNPFEDSA-N 437.382 4.722 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CC12CCC(Oc1cc(Br)cnc1C#N)CC2 2198833306 FDWIWCSDROEFMN-JUJQQSPASA-N 436.350 4.568 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#Cc1ccc(Cl)cc1 2212498448 MTKLTGKQWMJEOV-HSQYWUDLSA-N 428.960 4.517 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]12CCCO[C@H]1CN(C(=O)OC(C)(C)C)C2 2221331918 YQIYYWPZHHCXPJ-JCYRPKCISA-N 444.616 4.544 30 10 IJEE CCCC1([C@@H](N)C#Cc2ccccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2235721760 BRFSEFCNUBNXNC-IBGZPJMESA-N 435.406 4.945 30 10 IJEE C=C(COCc1ccccc1)[C@H](CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)NCCC 2252730468 DZWZAWPPHUBLCX-PKTZIBPZSA-N 432.605 4.544 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(F)c(F)c(Br)c(F)c1F 2256019823 GHLRKCOZBTUVQN-NXSYQRQQSA-N 428.220 4.508 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2267179111 LOCFOBNQLRTUGX-UHFFFAOYSA-N 442.365 4.939 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(CC)n2)CCCCN1C(=O)OC(C)(C)C 2287731488 NOGYFRNOWGLCJW-FQEVSTJZSA-N 440.382 4.916 30 10 IJEE COCCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)SC1=Nc1ccccc1 2294025360 KHQQAOOBRYIXIM-UHFFFAOYSA-N 448.500 4.895 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 2296277473 SQFZKZIOFZSRAK-DFQSSKMNSA-N 433.390 4.638 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)c1cccc(I)c1 2296288227 DNOWLGUWPKJVEF-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2296293446 JSHWWRPJEDPRBX-DFQSSKMNSA-N 435.406 4.720 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CCC1 2296298615 MACYSJZMAICFQV-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCOC(=O)c1sc(NC(=O)C=Cc2cc(Br)ccc2OC)c(C#N)c1C 2313724659 RHEJWWRNZXFVAX-UHFFFAOYSA-N 449.326 4.528 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC)nnc2SCC(=O)Nc2ccccc2)cc1 2320933486 ZYCPBDBWVFNJBH-UHFFFAOYSA-N 437.569 4.632 30 10 IJEE CCCCOc1c(Br)cc(C=Nn2cnnc2SCCC)cc1OC 2321306681 MCDPRBRBQYROBB-UHFFFAOYSA-N 427.368 4.612 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)c1 2322724520 PYHWGGVJCJJWAV-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 2324014389 MRZYKJDRCIVKFC-IBGZPJMESA-N 445.515 4.856 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)c1 2324807452 GPVOOANOXCCUSQ-OAHLLOKOSA-N 449.459 4.627 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)Nc1ccc(F)c(F)c1F 2325530405 RDXFNCWXNPTZCU-UHFFFAOYSA-N 431.391 4.799 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2cc(NC(C)=O)ccc2CC)cc1OCC 2325648740 PERZOSXFWGXCFO-UHFFFAOYSA-N 438.524 4.616 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCCO)n2N=Cc2ccc(Cl)cc2)cc1 2327217186 MKIDYZSWDPGPBU-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(OC)c1 2328075339 GVKDORYRYFCWHI-UHFFFAOYSA-N 428.945 4.591 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccn1 2328443999 MKLOCAXYQHPMET-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)cc1 2330961369 GVYYIEXYDMJVLD-GOSISDBHSA-N 443.916 4.866 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2C(F)(F)F)cc1 2331164946 BPRIUKCVFNWCKE-UHFFFAOYSA-N 430.814 4.970 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(F)cc3)c([N+](=O)[O-])c2)cc1F 2331456628 MVLJCDYRDYAXEE-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCCSC)c([N+](=O)[O-])c2)cc1F 2331459037 FGEOEBBYSILKFM-UHFFFAOYSA-N 433.457 4.687 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3)c(OC)c2)c(OC)c1 2331729105 USUOSLXGTRZTIU-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1OC 2339194544 ADGJTSDQKLGWRB-FUHWJXTLSA-N 427.383 4.968 30 10 IJEE N#Cc1ccc(Br)cc1Nc1cc(F)c(F)cc1I 2351709946 QQWNWCMWBLVYFA-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CN[C@@H](C#C[C@H]1CC1(C)C)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2365083235 OPWUPYYULQEVMG-YTQUADARSA-N 435.406 4.522 30 10 IJEE CCCCCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)NC2=O)cc1 20582501 XNCWESNGAWVKNJ-HXUWFJFHSA-N 425.554 4.894 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O3)CN(Cc1ccccc1)CO2 41646000 YUDHAZBHMRBKHA-UUYOSTAYSA-N 428.444 4.872 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)c1OC 41660181 YVNPWCIMJZJPOZ-XKZIYDEJSA-N 449.528 4.776 30 10 IJEE C=CCn1c(SCC(=O)Nc2nnc(SCCCC)s2)nnc1-c1ccccc1 59775694 PJILPQGPDSCUMW-UHFFFAOYSA-N 446.627 4.606 30 10 IJEE COc1ccc(C)cc1NC(=O)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1 96309833 YQDYZSKTCFIMSP-RUZDIDTESA-N 448.571 4.644 30 10 IJEE biogenic O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(OCc2cccc3ccccc23)cc1 104401059 UFGCTMJRHAWPPK-FAQGIVBESA-N 448.522 4.806 30 10 IJEE CCCOc1cccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2ccco2)c1 135684691 ASNLNBYGVMVCSG-HOGKFDNTSA-N 435.451 4.829 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 169983885 AVFKQMTVSXGGDC-GOSISDBHSA-N 442.399 4.717 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccn2)cc1Cl 169996543 OPUOLUNBGBNTCQ-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cc(C)ccc2C)[C@@H]1c1cccnc1 170012955 QDDIIPJHEWJZHG-HSZRJFAPSA-N 446.478 4.625 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2F)c(C)c1 170071921 OVYQOQATGWDKDI-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccc(C)o2)cc1 170102563 JYWFZAFRIPUENW-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1Cc1ccco1 170123396 DHSITYGTKCDEFW-DEOSSOPVSA-N 443.499 4.946 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccs2)c1 170156480 WYSJKGNIOSRYNA-OAQYLSRUSA-N 435.501 4.857 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2cccs2)c(OC)c1 170161439 GPLMLTLHZSVCNK-NRFANRHFSA-N 435.501 4.857 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccccn1)c1cc2ccccc2o1 170176931 URTKCOROPHKCHM-NRFANRHFSA-N 432.382 4.889 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)cc1 170199328 DHKGCPQBKUZSIZ-QFIPXVFZSA-N 432.451 4.791 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1ccncc1 170206120 JNPCQPKHNMBRCW-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccncc2)ccc1Cl 170209221 TVVIZELHTCVBNC-HXUWFJFHSA-N 426.900 4.655 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1)c1cc2cc(Cl)ccc2o1 170230236 KIMRTPULLQCEHQ-DYESRHJHSA-N 437.879 4.844 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)C)cc1 170244417 GBMFJDCYNUAHTB-DEOSSOPVSA-N 433.548 4.914 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccc(OC)c(O)c1 170322323 GCUHGLZANHUURS-QFIPXVFZSA-N 437.536 4.995 30 10 IJEE Cc1cccc(NC(=S)NN=C2C(=O)N(CN(C)C3CCCCC3)c3ccccc32)c1C 254835277 FSGUCTXHIATDIA-UHFFFAOYSA-N 449.624 4.563 30 10 IJEE Cc1c(C=NN=Cc2[nH]c(C(=O)OC(C)(C)C)c(C)c2C)[nH]c(C(=O)OC(C)(C)C)c1C 254836784 SQLFWOSEKVSTFB-UHFFFAOYSA-N 442.560 4.940 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Br)cnn1CCC 406922730 JTQHKGHCFZQUJF-CVEARBPZSA-N 429.403 4.566 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)nnc1-c1cccnc1 438891528 UNQPNCPRNJRSMZ-MRXNPFEDSA-N 435.336 4.839 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2cccc(C)c2)cc1OC 526607209 TUHXGTAWMVKIMJ-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 556081146 XWDJBBNYWYHRBQ-HXUWFJFHSA-N 439.947 4.748 30 10 IJEE CCN(CC)CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143498 HSNTUBSUZXUXTD-UHFFFAOYSA-N 441.641 4.779 30 10 IJEE N#Cc1ccc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(F)c1Br 715062576 OKDDCBQNBAUMJO-RBUKOAKNSA-N 428.349 4.951 30 10 IJEE Cc1nc(-c2ccsc2)ccc1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 726229370 CGXULYGDWDVZFW-ZDUSSCGKSA-N 437.546 4.724 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccc(C)c(C)c1 733197167 LPGVEKQVIZDQGX-HXUWFJFHSA-N 441.503 4.565 30 10 IJEE COc1cc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccccc2n1 743624707 HVPPFHPSCOMKJO-UHFFFAOYSA-N 428.517 4.843 30 10 IJEE C=CCn1c(-c2cnccn2)nn(CN2CCC[C@@H]2Cc2c(F)cccc2Cl)c1=S 764899242 QOXKYLDRDYTFQH-OAHLLOKOSA-N 444.967 4.514 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 802593162 DHXWXEGGWUALAR-VWLOTQADSA-N 435.572 4.607 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(Oc2ccccc2OCC)nc1 804924021 JNPYNYBCGUATJW-QFIPXVFZSA-N 429.520 4.706 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)NC2CCC2)[n+]2cc(O)cc(-c3ccccc3)c2)cc1 814184864 JEXHLCBCHSWVQS-UHFFFAOYSA-O 428.537 4.572 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)SC1=Nc1cccc(OC)c1 1084536555 KLDQRESSXIUNKO-GOSISDBHSA-N 431.945 4.637 30 10 IJEE C=CCN(C(=O)c1cncc(-c2ccc(OC)cc2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1128004140 FNVDKUWZCQYGAM-VWLOTQADSA-N 444.531 4.560 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(C)ccc2I)cc1 1128300438 BVMLQVQHBCEQSB-UHFFFAOYSA-N 449.288 4.861 30 10 IJEE N#Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1131133965 BGWNBANYLIXPDT-UHFFFAOYSA-N 435.833 4.721 30 10 IJEE C=CCn1ncc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)cc21 1134353835 JFEOIMCXOXJVTB-UHFFFAOYSA-N 443.956 4.601 30 10 IJEE N#Cc1cc(NC(=O)c2ccc3nc(O)[nH]c3n2)ccc1Oc1ccc(C(F)(F)F)cc1 1137055111 FHXHVOQQFHPRPF-UHFFFAOYSA-N 439.353 4.599 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 1142341720 YHPPFMDBPYCIRF-AWEZNQCLSA-N 435.874 4.746 30 10 IJEE C=CCC[C@@H](NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)C(=O)OCC 1158279909 CIRNCJKIXCSSDT-QGZVFWFLSA-N 431.945 4.677 30 10 IJEE C=CCNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc([C@@H](C)CC)cc1 1164485224 PDFOUUCJWXBJPL-HNNXBMFYSA-N 441.984 4.947 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C 1166517360 CBEIBYJSGWMPLD-AUSIDOKSSA-N 426.582 4.969 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC(CC)CC)nc2sc3c(c2c1=O)CCCCC3 1187972115 HVCNUBRRXAYFPB-CQSZACIVSA-N 433.643 4.698 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@@H]4[C@@H](CCCN4C)C3)c2C#N)C1 1191520376 GNBKKRMDWNKXCV-WAOWUJCRSA-N 442.673 4.515 30 10 IJEE Cc1cccc(Oc2ccc(S(=O)(=O)NC3CCN(c4ccccc4C#N)CC3)cc2)c1 1213308018 AURIUUOOYARTOM-UHFFFAOYSA-N 447.560 4.606 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1229061077 XKRBZGYCPHCNIF-UHFFFAOYSA-N 429.605 4.857 30 10 IJEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 1264188935 BOQZDTPYOMHRGY-QHCPKHFHSA-N 441.915 4.525 30 10 IJEE C=CCN(C(=O)c1csc(Br)c1C)[C@H](Cc1ccccc1)C(=O)OCC 1269215764 QRPCDXVYAHSTKE-QGZVFWFLSA-N 436.371 4.622 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCC1(COC)CCCC1 1286287023 CMEZZIIKZAGUKO-QGZVFWFLSA-N 445.405 4.762 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)Oc1ccccc1F 1286305496 NLGBDHCKMKQOOM-JPAWQOSXSA-N 442.579 4.651 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(C)c2C)CC1 1286317463 MTVLHJGERIZJLU-UHFFFAOYSA-N 449.002 4.740 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCC1CC(OC(C)(C)C)C1 1286380161 CIXAUOMCAGUOHX-UHFFFAOYSA-N 430.980 4.564 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCN1CCCC[C@H]1CC 1286528437 ANLDRBSLSXZGAC-YIXXDRMTSA-N 449.643 4.676 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1286625009 RXAAFIBQKPXCBJ-HXUWFJFHSA-N 444.023 4.919 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[C@H]2CCCCO2)CC1 1286636614 FBZFDPKAYWJSMF-JOCHJYFZSA-N 437.588 4.653 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1286702798 WPVUGRAUOJKHNE-YOFSQIOKSA-N 429.609 4.564 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1CC[C@H](OC)C(F)(F)F 1286744979 RBADRAMTNDSTOS-KRWDZBQOSA-N 428.474 4.875 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)[C@H](C)CC 1286747929 RCDSAMCEMVTXHR-HOYKHHGWSA-N 435.597 4.868 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCc2ccccc21 1286761227 YKOXGIZLLPGELB-KIFXHHALSA-N 449.643 4.826 30 10 IJEE C#CCN(C(=O)CCC[C@H](O)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1293513854 RUXDVBGXNSFHHH-RTWAWAEBSA-N 442.353 4.638 30 10 IJEE CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC(C)(C)C1 1298386539 FLWBZUUYVAYRMD-UHFFFAOYSA-N 434.613 4.637 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 1300341752 KUAOQFGAAOQYGQ-NRFANRHFSA-N 431.584 4.857 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1C[C@@H](OC)C(C)(C)C1 1300347749 DUGDXQSRGPLTPT-GOSISDBHSA-N 449.368 4.511 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(Cc1ccccc1)CC1CCOCC1 1300417271 RTDTURAWFAHHCO-UHFFFAOYSA-N 434.609 4.777 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1300565497 QIIFEBKVUOALFB-BJKOFHAPSA-N 432.612 4.812 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccsc1 1300769658 HQLDPNVFLJXWFT-UHFFFAOYSA-N 426.611 4.538 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1300780563 SYPMBGISFPUGDG-AREMUKBSSA-N 433.600 4.745 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCSC(C)C 1300797524 CWDRELGCDQDKBE-XMMPIXPASA-N 442.629 4.876 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1301044350 HCALFKBSUVLGCT-LJQANCHMSA-N 430.911 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 1301137204 NGQHXBDAANOFMA-NRFANRHFSA-N 439.604 4.759 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](COC)C1 1301240561 BXYBDQWDIMWJFW-RTBURBONSA-N 444.645 4.587 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(c2ccsc2)CC1 1301614966 BYWBGTRPZKQOFT-UHFFFAOYSA-N 425.627 4.629 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCN(Cc2ccccc2)CC1 1305475920 AJZRFNXLISSVEM-RLWLMLJZSA-N 434.632 4.834 30 10 IJEE Cc1ccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nnc2-c2ccncc2)cc1 1307278769 GVKZRNUPAPZIDX-OAQYLSRUSA-N 425.517 4.606 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccccc1-c1nnnn1C)c1ccc(C(F)(F)F)cc1 1311133340 FGGFHEJESQJAPC-QGZVFWFLSA-N 430.434 4.725 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(F)c1F 1320072761 XZQZRDHFKQDAFL-IBGZPJMESA-N 441.503 4.565 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccnn1CC(C)C)c1ccc2c(c1)OCO2 1349398262 LQSONGXDIWQUNM-UHFFFAOYSA-N 433.508 4.680 30 10 IJEE COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1350772928 BRSJHEMNWCNEQW-UHFFFAOYSA-N 448.906 4.606 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)OCc3ccc(SC(F)F)cc3)CC2=O)cc1Cl 1354048244 BURDUOSBJTZBOY-CQSZACIVSA-N 436.867 4.623 30 10 IJEE C#CCOc1ccc(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)cc1 1355317193 JFNAXKWNUQQZEL-UHFFFAOYSA-N 428.463 4.683 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@](C)(O)c1ccccc1 1358877349 CCGIJBIWAFJREX-UYXZNNOOSA-N 448.636 4.887 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1358911405 SYFHGIJZLTXVHJ-FQEVSTJZSA-N 430.499 4.528 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 1358914136 JLWAYZZINYXIEZ-UHFFFAOYSA-N 437.607 4.512 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1358922152 VLYAXLVOSOTECL-SFHVURJKSA-N 436.453 4.832 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccnc(SC)c1 1358972732 QOYRBTRHLRMSCA-UHFFFAOYSA-N 447.633 4.514 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCS1 1359020864 SKPXUWSNHPJBTF-NRFANRHFSA-N 426.630 4.614 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)Cc1cccs1 1359021213 GRORHOZCZWEAKM-IBGZPJMESA-N 445.592 4.520 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(OC)cc1 1359108399 MKZUEMYCSNUBQA-UHFFFAOYSA-N 444.377 4.689 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1359153554 KFFBTMNZMKIRGA-VLIAUNLRSA-N 444.004 4.982 30 10 IJEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1359197549 SKHQCKSMQARSKZ-FQEVSTJZSA-N 434.588 4.638 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1sc(C)nc1C 1359235810 OFLCTZFYKBCETM-UHFFFAOYSA-N 441.601 4.679 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1359246514 DKGDMTUAASGNDF-UXHICEINSA-N 441.595 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1Cc1nncn1-c1ccccc1 1359261326 DYSLANFSSGZMKA-SFHVURJKSA-N 433.585 4.675 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@H](CN3CCCC[C@H]3C)C2)cc1 1359308428 OCTNEWFIRXLVCS-FYYLOGMGSA-N 437.632 4.544 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2C[C@H](F)C2)C1 1359314102 WCEIDIVKAIZRIO-VKRLORBYSA-N 448.970 4.991 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@H](CC)C1 1359339346 BMUWLBAXYXUTLS-GOSISDBHSA-N 425.627 4.744 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1359340169 DJKHWPROMCOMCF-SFHVURJKSA-N 430.618 4.657 30 10 IJEE C#CCN(C(=O)c1cc(F)cc2ccoc12)[C@@H]1CCOc2ccc(Br)cc21 1360557272 SLEXCJWLZXMXPC-GOSISDBHSA-N 428.257 4.934 30 10 IJEE C=CCn1c(SCC(=O)N2CCS[C@@H]3CCCC[C@@H]32)nnc1-c1ccc(Cl)cc1 1361179229 PXFIXBZZTDWSNM-ZWKOTPCHSA-N 449.045 4.763 30 10 IJEE C#CCN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CCCc2ccccc21 1439623730 IJGURCWESYVERL-LJQANCHMSA-N 433.264 4.583 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 1446738035 ZBXXHNPISPICMW-XJKSGUPXSA-N 434.886 4.789 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Oc2ccccc2F)c1 1452800898 JJDVZYIIQAISCV-HXUWFJFHSA-N 426.488 4.541 30 10 IJEE C=C(C)COc1cccc(NC(=O)CCOc2ccccc2I)c1 1455930861 TVSFDGFNZBDAJK-UHFFFAOYSA-N 437.277 4.654 30 10 IJEE N#Cc1c(NCCc2nc(-c3ccc(Cl)cc3)no2)nc2c(c1C#N)CCCCCC2 1458165087 GQHNIXIBAZMNBH-UHFFFAOYSA-N 432.915 4.842 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CN(c1ncc(Br)cc1C#N)CC2 1458729536 OXJUFORYZVZHDG-UHFFFAOYSA-N 429.318 4.625 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1C(F)(F)F 1463899645 HHLOKCZFOSFELY-CJNGLKHVSA-N 428.863 4.845 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1F 1467935038 ICWVYZOUKLXNHW-NRFANRHFSA-N 436.870 4.844 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(Cl)cc1F 1468031452 WTQBYESTFNBZMO-LEWJYISDSA-N 434.342 4.943 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 1469389546 OXJLLCLNEPEKFE-UEXGIBASSA-N 440.588 4.955 30 10 IJEE C=C(C)CONC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 1469740850 ADBBKIXOTBTQAQ-UHFFFAOYSA-N 436.581 4.948 30 10 IJEE C=C(C)CONC(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1469742403 XMMCTUOHCXOPPY-QFIPXVFZSA-N 440.927 4.660 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 1470489665 PDWXVCUXAGDGDS-NOZRDPDXSA-N 444.579 4.759 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 1471325902 DXCJWROZIKMTMR-ZDUSSCGKSA-N 436.281 4.955 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)c1ccc(F)c(Br)c1)C(C)C 1477281521 LYUSYBUBVIWMHU-BEFAXECRSA-N 426.374 4.647 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cccs1 1499459442 DOEJLOXRLCFXMZ-NRFANRHFSA-N 434.613 4.779 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1501973585 CIZGFUADOTWNBN-ZWKOTPCHSA-N 440.661 4.602 30 10 IJEE COC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)C[C@H](C)C#N)CCCCC1 1504046045 BNWBJIXBIWPUCQ-QZTJIDSGSA-N 429.540 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCOC1CCCCCC1 1507517383 PTDBZTOYFSZAJY-RTBURBONSA-N 428.552 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1cccnc1)C(C)C 1507528787 NRMODZAONVHTSH-SIKLNZKXSA-N 426.568 4.730 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507680850 OIKGGTFFQCQPEG-WMZOPIPTSA-N 435.450 4.682 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)CC=C 1507681180 UJMOEYHTDLATPX-UHFFFAOYSA-N 431.378 4.778 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1507743950 GFOZIHUJDHMXHF-RTBURBONSA-N 433.021 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1507803615 CDJYVTCBLNQITJ-SMISUXHESA-N 438.616 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1507814203 LVJSGPAFBYVBPW-QHCPKHFHSA-N 449.599 4.540 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1507873660 TUBUXBQXHZFIBS-INIZCTEOSA-N 447.967 4.898 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCSc2nccs2)CC1 1507878364 VPKSNUJHYCWVAS-UHFFFAOYSA-N 427.599 4.749 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1507881331 NCOQEVZHLUYEGU-CNNODRBYSA-N 428.552 4.775 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)c1ccccc1 1507930494 XNZOYBAMRDDHAB-NHCUHLMSSA-N 435.547 4.782 30 10 IJEE C=CCCCCn1c(-c2cccnc2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1507931539 BOIROCHMRDJDDS-DEOSSOPVSA-N 437.975 4.534 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1507936129 YFOMQVHKFNRDNT-BDTNDASRSA-N 440.588 4.787 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCCCO1 1507986750 UOIJIBKPVQCHRZ-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1c(C)nn(C)c1C 1508009927 FQZDPYWLJBVXSS-NRFANRHFSA-N 434.588 4.612 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc(C)ccc1OC 1508019637 HPUJLYMIUVJTSI-FYYLOGMGSA-N 438.616 4.935 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCC(=C)C)C1 1508119481 ZZQJVZIPEZCWRW-KRWDZBQOSA-N 437.371 4.626 30 10 IJEE CC(C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccnc(Oc2ccccc2F)c1 1508930546 FIVVWINFAFIAMQ-UHFFFAOYSA-N 434.519 4.906 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCCc4c(Cl)cccc43)CC2=O)cc1Cl 1521828166 HTOFOHKDOBKRBJ-OAHLLOKOSA-N 428.319 4.587 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c(OC)c1 1523213356 YYAIIMOFLYTIQL-OAQYLSRUSA-N 430.342 4.929 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C(C)(C)C)cc1 1523656711 BVARVDIHXYLRQW-DEOSSOPVSA-N 448.607 4.860 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCCC1(C)C 1524930561 HFGJRYDPXXOINA-QFIPXVFZSA-N 432.630 4.847 30 10 IJEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 1527509985 GPVPALLXVANQPJ-UHFFFAOYSA-N 441.915 4.601 30 10 IJEE C#CCC1(C(=O)Nc2ccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)CCCCC1 1528777782 QGZXQZFPHSQROL-NRFANRHFSA-N 426.557 4.907 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 1538023184 GOVXNSWFDCVUJO-IBGZPJMESA-N 425.573 4.519 30 10 IJEE C#CC[C@@]1(C(=O)N(C)c2nc3ccc(Cl)cc3s2)CCCN1C(=O)OC(C)(C)C 1538425682 KWIYGLDMRMSNSY-NRFANRHFSA-N 433.961 4.706 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCCC1 1539034619 HDQLJWNHEOCDPA-GOSISDBHSA-N 432.037 4.558 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1539382809 SLTCOVDSZNUPRQ-XUZZJYLKSA-N 438.616 4.720 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(OCc2ccccc2F)CC1 1539515094 XKAXSLINUCPRHI-UHFFFAOYSA-N 442.604 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCCN1CCC 1539676645 RVIJWMABABOVLY-HSZRJFAPSA-N 434.632 4.948 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1539835523 CXHPSJAKJNTYQG-JOCHJYFZSA-N 430.556 4.649 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1540049491 MVSBQSPLSGXYEK-JXQFQVJHSA-N 429.584 4.690 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1C[C@H]1C 1540127060 NTLLNTPVPUFILC-YJSIEXFISA-N 433.600 4.917 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1540133953 MFMJEQHNNVVDBZ-GMAHTHKFSA-N 433.531 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1OCC[C@H]1C 1540146970 HTSWFFIEBVOGRE-CWJKEVGVSA-N 444.645 4.876 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCN1CCC 1540162405 PVISTMMYAIKGTK-SFHVURJKSA-N 444.421 4.760 30 10 IJEE C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)cc1 1540711895 HCUYTWFXFPUDKT-SFHVURJKSA-N 439.515 4.664 30 10 IJEE C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1540855897 FCGBUEKPULYDMI-VXKWHMMOSA-N 440.588 4.711 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)C1CCN(CCC)CC1 1540860291 ZOCFELNJBFYSGO-UHFFFAOYSA-N 438.403 4.661 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(Cl)c(Br)cc2F)c(OC)c1 1543166868 RCBPKIFPVIXGRZ-UHFFFAOYSA-N 428.685 4.996 30 10 IJEE Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 1543403530 AVCFNTBYQNBXNR-UHFFFAOYSA-N 439.306 4.725 30 10 IJEE C=CCCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1556312029 BSVDPSSIJLGEDW-UHFFFAOYSA-N 428.598 4.549 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 1557349156 YSQBDZRDKMFXFI-SCLBCKFNSA-N 427.372 4.864 30 10 IJEE C#CCN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCc2ccccc21 1560171944 KCFZYSFOVFBKGS-IBGZPJMESA-N 445.876 4.847 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)Nc2ccccc2COCc2ccccc2)CC1 1562194603 HBQSUPCHCUJRDU-UHFFFAOYSA-N 432.549 4.691 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1ccc(Cl)cc1F 1564035566 DHHXMVOTDLRJHF-VQTJNVASSA-N 445.922 4.719 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1564599533 MKXWPFGVSOYVFN-SJORKVTESA-N 425.248 4.769 30 10 IJEE C#CCN(C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1564705413 ARIROYKCXYWJDV-TZIWHRDSSA-N 443.563 4.506 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC3(c4cccs4)CCCCC3)ccc2c1=O 1565872496 GYJOKKGLFJFCIT-UHFFFAOYSA-N 439.606 4.565 30 10 IJEE C=CCC[C@H](NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)c1ccc(C(F)(F)F)cc1 1566676486 YIWFWPXZKXUKEG-ROUUACIJSA-N 444.494 4.759 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1570279979 ZIUBAFBEWLTBBA-NRFANRHFSA-N 440.543 4.829 30 10 IJEE C=CCc1cc(C(=O)N2CCCSC[C@@H]2c2ccccc2OC)cc(OC)c1OC 1583915276 AGNHFQNTXCXPGR-HXUWFJFHSA-N 427.566 4.761 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC)[C@H](Cc3ccc(F)cc3)C(C)C)n[nH]2)c1C 1586924569 QCEAYDJFAZRQKL-HSZRJFAPSA-N 437.563 4.945 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1587587204 ZMAJXTQQRUITGK-KRWDZBQOSA-N 449.555 4.549 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)CCc1ccc(Br)cc1 1589484943 WKGXWGWIGTYECX-AZUAARDMSA-N 447.421 4.824 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1cc(Cl)ccn1 1589515347 MROHTOXVBIARBL-GCJKJVERSA-N 437.975 4.920 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(CC)C1CCCC1 1589570355 UIUOPUVCJIVVPI-CYFREDJKSA-N 440.588 4.616 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(Br)cs1 1594626866 PVJIZTMCEMKRRI-CQSZACIVSA-N 425.396 4.599 30 10 IJEE C=CCCCn1c(N(C)[C@H](C)c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594767308 RTQMXSOSHKQVIR-KURKYZTESA-N 429.565 4.805 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCN1CCC(C)CC1 1595149103 KKDMTUGKFDAOGF-UHFFFAOYSA-N 425.602 4.833 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@@H](C)N1CCC(C)CC1 1595251938 ZDAKVZIROOTAJS-JOCHJYFZSA-N 433.600 4.894 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C2CC(C(C)(C)C)C2)C1 1595729134 JTXYXOPMQFBYLG-DAWZGUTISA-N 430.543 4.926 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2OCC(C)C)C1 1595729978 RDGUWFMCJPIWHV-OAQYLSRUSA-N 426.605 4.731 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H]1CCOC1 1595854450 BZXJUIRRJMTOPV-AWEZNQCLSA-N 427.401 4.644 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccnc(SC)c1 1614118956 FTSTXTYMGSWAFA-FXAWDEMLSA-N 448.596 4.519 30 10 IJEE Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)COc1cc(C#N)ccc1Br 1614810769 CEWDGJJHEAYPDS-UHFFFAOYSA-N 443.385 4.973 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)cc1OC 1616798960 QHILLEJNCWGWDA-QBFSEMIESA-N 442.519 4.922 30 10 IJEE C#C[C@H](NCc1nc(Br)c(Br)n1CC)c1ccc(Cl)cc1 1621368253 DKOAFUOKVCICAH-LBPRGKRZSA-N 431.559 4.546 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1625960922 GPVSLOBQLJRJLY-UHFFFAOYSA-N 433.552 4.902 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O 1626689093 ICQCKRSHVRPVLN-SFHVURJKSA-N 437.908 4.648 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 1628086910 WTXDWZNCQPTZHL-UHFFFAOYSA-N 438.531 4.930 30 10 IJEE N#Cc1ccc(CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1F 1629950885 FAEVTOFHSPXIEW-UHFFFAOYSA-N 448.885 4.596 30 10 IJEE C=C(C)COCCNC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1632028365 XEOLZNWMSZVRHI-CQSZACIVSA-N 438.391 4.834 30 10 IJEE C=CCOc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1OC 1632903945 OXLLVAMDOQWNKD-UHFFFAOYSA-N 428.960 4.652 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cnn(-c2cccc(Br)c2)c1 1633043193 COJFXFBQNKDWAQ-UHFFFAOYSA-N 426.314 4.785 30 10 IJEE C=CCNc1ncc(C(=O)N(Cc2ccc(C)s2)c2ccc3c(c2)OCCO3)s1 1633071054 OACPNEAJKONZRA-UHFFFAOYSA-N 427.551 4.729 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 1633670849 YPSLDFPFJXZZEO-AWEZNQCLSA-N 449.857 4.552 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1 1642099480 RJYMDCOWNIYFEI-CQSZACIVSA-N 443.522 4.675 30 10 IJEE C=CCC[C@H]1CCCN1c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 1643270874 QYKJKHAQOAYVEH-SFHVURJKSA-N 429.542 4.947 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(C(F)(F)F)c2C1 1648444485 KTDQXZRVDGBQOD-MRXNPFEDSA-N 432.870 4.626 30 10 IJEE C=CCn1c(SC[C@H]2CCNC(=O)CC2)nc2scc(-c3ccc(C)cc3)c2c1=O 1652348792 CERVMXVWDISBBZ-MRXNPFEDSA-N 439.606 4.628 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@H](c2cccc(C#N)c2)C1 1653156914 CJLBMCNFHWPFEW-DJJJIMSYSA-N 437.849 4.631 30 10 IJEE CCOC(=O)c1oc2ccccc2c1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1654336220 DDAVEHRJERBPIW-NRFANRHFSA-N 437.927 4.645 30 10 IJEE CC(C)(NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 1662056399 DPYCGOGSVLYGFF-UHFFFAOYSA-N 436.377 4.809 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N(CCN(CC)CC)Cc2ccccc2)cc1C#N 1670125437 AVBVADSJBXVGBP-UHFFFAOYSA-N 437.544 4.503 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(OCC)cc1)c1cccc(Cl)c1)C1CCN(C)CC1 1670802183 XVZXMVAYMBCNAS-DEOSSOPVSA-N 439.987 4.567 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C 1672210214 RXLQOWPCRHYONM-LPHOPBHVSA-N 444.373 4.798 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1674036569 QHBAHIJRUAORCB-FORWCCJISA-N 449.954 4.631 30 10 IJEE C#Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cc1 1675786012 PCOVUOQCGRNDNH-SFHVURJKSA-N 429.495 4.549 30 10 IJEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1677758086 IFKZHOITZGLRMO-INIZCTEOSA-N 430.549 4.504 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Br)cc1 1679159793 KNWMXXAOCTVTNZ-CZAAIQMYSA-N 427.342 4.591 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccc(C(F)(F)F)cc1 1679305167 LJFQOBPQKSRWEP-UYJKOURQSA-N 440.506 4.985 30 10 IJEE Cc1ccc([C@H](CC(F)(F)F)NC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1679849519 BLLQRNULRLPVSW-FQEVSTJZSA-N 430.474 4.828 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 1681032654 XQDHJXQDLUJPFR-RRPNLBNLSA-N 441.575 4.719 30 10 IJEE C=CCN(C(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21)[C@H](C)COC 1683005895 HKGUEEUXFJGSDA-APWZRJJASA-N 447.576 4.868 30 10 IJEE C#C[C@H](NC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1)c1ccc(Cl)cc1F 1683517023 OLCPXRBJYUDRGM-UKILVPOCSA-N 439.962 4.851 30 10 IJEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1c1nc2ccccc2s1 1690273286 LRAAATDNUTUIBJ-SFHVURJKSA-N 438.601 4.724 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1690296891 UYUNSDVYWMJOKH-LEWJYISDSA-N 442.629 4.939 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCSC2)CC1 1690369052 WLNORQSYTTWKTQ-AWEZNQCLSA-N 437.382 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690428661 XRLSNNLZHSRDLD-JOCHJYFZSA-N 448.615 4.984 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21)c1ccccc1 1690441721 FQZJVKMZZSNYDX-FCJDFRRUSA-N 435.616 4.791 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(F)cc1F 1690442538 VQAZJTNCGSTPHG-PXNSSMCTSA-N 434.531 4.519 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1690455330 HANLTNWFHSLLSH-FQEVSTJZSA-N 433.556 4.692 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1690455985 QSSAZFFJFZXAOM-HOTGVXAUSA-N 449.393 4.686 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690472912 YTZZUUXRPOVXCH-ZWKOTPCHSA-N 440.979 4.765 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOc1ncccc1Cl 1690519497 LOKHYELESYEHTK-UHFFFAOYSA-N 425.964 4.992 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1sc(C)nc1C 1690519793 XYPDGBCEPVGZCA-UHFFFAOYSA-N 432.391 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CC1(N(C)C)CCCCC1 1690588398 USDCEOBYMYQVDF-UHFFFAOYSA-N 430.600 4.936 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)C2(CCC2)C1 1690649686 KABLQNWAHWLMNM-INIZCTEOSA-N 431.378 4.822 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1705589331 PEHFNNVPVIUWKG-OYRHQHFDSA-N 431.628 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CCc1cc(Br)ccc1F 1705674915 VBKCPSZCYJIPQD-OAQYLSRUSA-N 433.369 4.613 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1705695096 VGIGCFABQYXELU-YGOYIFOWSA-N 431.584 4.938 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CC)C1 1705730896 PSJRXHHPDUFOCG-QGZVFWFLSA-N 433.394 4.927 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N(C)[C@@H]1CCSC1 1705748091 BSMAWEAPRUYUQM-QGZVFWFLSA-N 437.009 4.827 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705762550 CANXIKYHAHBUSP-DENIHFKCSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1705779066 UHHBSDCZMUCMSJ-ICSRJNTNSA-N 440.588 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCOc2ccc(F)cc2)CC1 1705781958 LDWCCEBYZDUXHU-HXUWFJFHSA-N 428.552 4.573 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1705784004 DMGLMJWAFKZYHR-HSZRJFAPSA-N 448.533 4.863 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705786220 IYPHJIPZTPUMLY-RBUKOAKNSA-N 443.640 4.784 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1Cc1cc(Br)ccc1OC 1705874739 VLEMKZGCIAIFPI-UHFFFAOYSA-N 431.378 4.934 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCSC1 1705880012 RELOOEWRMJFQQO-GOSISDBHSA-N 426.561 4.589 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCCC1(C)C 1722346833 ARHQXHPTVNNCFO-INIZCTEOSA-N 431.378 4.612 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCCCC2)CC1 1722563949 DDLYHLQSQWHCPK-HXUWFJFHSA-N 440.588 4.668 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1722568098 ANVUSJCAHUHJRO-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC(F)(F)F)CC1 1722573083 OEQGXIPMZNQYHY-UHFFFAOYSA-N 435.494 4.892 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2csc(COC)n2)CC1 1722575591 OSMLNQFBFZHEID-UHFFFAOYSA-N 447.967 4.791 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1722583086 RCALBDPGLNOBCA-HOYKHHGWSA-N 444.645 4.779 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(F)(F)C1 1722612977 ZMFLLMOHQXSTOZ-UHFFFAOYSA-N 427.293 4.528 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1Cc1ccccc1OC)C1CC1 1722646903 YNVZCVOATQNCPB-UHFFFAOYSA-N 445.386 4.981 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@](C)(OC)CC1 1722731615 AMNRJAKRDJJGDC-FDDCHVKYSA-N 448.608 4.872 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@@H]2C)C1 1726462097 HHTHNYAGAPAPEV-CZYKHXBRSA-N 434.632 4.810 30 10 IJEE CN(C)C1(Cn2c(CC(C)(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CCC1 1729323970 ICQYFGMWDVYEGC-UHFFFAOYSA-N 432.616 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1cccnc1)C(C)C 1740536243 BNWVYDFNIIEMHA-UWJYYQICSA-N 439.510 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740543495 QDIQVUHVYVSTDC-NOXFTYBFSA-N 431.584 4.793 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)Cc1cnn(C)c1 1740565958 MFJBOYMFLJXZAD-GOSISDBHSA-N 436.629 4.695 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1740595495 UATAGUBPGGSPDK-UHFFFAOYSA-N 449.502 4.691 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](C(CC)CC)N(C)C 1740664028 XYTHUKIAZAGPDU-DEOSSOPVSA-N 432.616 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCOCC(=C)C 1740724572 ASRWJWQTMFMMJB-WZONZLPQSA-N 428.964 4.656 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccco1)Cc1ccco1 1740743773 DWJPDVBEZGLULQ-GOSISDBHSA-N 447.333 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1cc(Cl)ccn1 1740764136 USUNFJGFDBUSRI-UTKZUKDTSA-N 444.004 4.596 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCn2ccnc21 1740767385 UAFCVBHMXLCDRO-RBUKOAKNSA-N 438.551 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCCN2CCCC2)CC1 1740845473 PZAISZJBVUKFBM-UHFFFAOYSA-N 441.620 4.530 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[C@H](C)C1)C1CC1 1740910328 CNUWKIRWJCYLLU-SLFFLAALSA-N 443.636 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(Cl)c1 1740925131 KBCQTICRFUFBMO-UHFFFAOYSA-N 446.780 4.926 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1748724517 VMKXWHGPLIRXFX-JOCHJYFZSA-N 431.005 4.647 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](c1ccco1)N1CCCC1 1748777158 ANZOWHRFFZJEGS-IBGZPJMESA-N 444.366 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC1CCC(C(F)(F)F)CC1 1748917170 OTWSAGYXDWPFDI-UHFFFAOYSA-N 425.886 4.822 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CCOCC1 1749123744 IAGLQPXCXAFWCX-UTKZUKDTSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc2c(c1)CCCN2C 1749149051 PCBIGPOKQSCUQJ-UHFFFAOYSA-N 436.991 4.827 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H](C)c2ccc(OC)cc2)CC1 1749304945 LRDONGJMEQFCSO-SFHVURJKSA-N 437.613 4.993 30 10 IJEE C=CC1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@](C)(O)C(C)C)CC1 1749331628 RAJUTPFAKCSIFP-OSPHWJPCSA-N 428.646 4.941 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(CC)CC2)C1 1749696300 RTCGDEXSWVORHB-SFHVURJKSA-N 431.378 4.679 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1749762445 VHTNHHWTICXQAV-QFIPXVFZSA-N 429.659 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC[C@H]1CCCCO1 1760289753 SMAOPWSKHFLHPA-KHCICDEESA-N 426.536 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@](C)(OC)CC1 1760319803 UQVHSSCVCIWFPH-MVERNJQCSA-N 438.616 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCC(F)(F)F 1760336234 WIPLMNZECXUFIZ-HNAYVOBHSA-N 433.478 4.796 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1760412093 HZRCGSMGAISUAW-QHCPKHFHSA-N 448.615 4.710 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1760441933 ZUOHAGWWQWEFKF-JOCHJYFZSA-N 439.623 4.923 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1Cc1ncc(CC)s1 1760484485 BBROBQQSQLPJOD-GOSISDBHSA-N 441.576 4.571 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC1(c2ccc(F)cc2)CCOCC1 1760493788 MTIHTLWYHQYHDD-JOCHJYFZSA-N 440.563 4.586 30 10 IJEE CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC#N)c1ccccc1 1764219586 GBSKVEKNLIELLU-HOTGVXAUSA-N 441.377 4.968 30 10 IJEE O=C1/C(=C/c2cc(Cl)ccc2O)SC(=NN=Cc2cccnc2)N1Cc1ccco1 1772758584 ZDTQVSVONHYWQY-AORGXBPQSA-N 438.896 4.540 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2noc3ccc(Cl)cc23)nc2ccccc12 1859656808 CUFFDSDGBZBVQS-UHFFFAOYSA-N 442.866 4.576 30 10 IJEE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1CNCC(=O)Nc1cccc(C#N)c1 1860720711 PSTWVQKSTMZNOS-UHFFFAOYSA-N 449.864 4.730 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1Cl 1862381392 YVZFVUJXAPFDJY-KRWDZBQOSA-N 440.710 4.608 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1862451581 IYEXRIJCVUABSE-QGZVFWFLSA-N 440.710 4.872 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2cccc(O)c2)cc1 1862533050 KDLAPSNAPBHMRS-DEOSSOPVSA-N 443.499 4.742 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cc(C)ccc2C)c1 1862555602 XSTFRRNJHKDVLM-DEOSSOPVSA-N 426.516 4.973 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862594920 JLSVLJSSCUDKEV-FQEVSTJZSA-N 439.920 4.928 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(O)c2)cc1 1862613207 FNUFYFJWMLYBJE-QHCPKHFHSA-N 442.515 4.863 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(F)cc2)cc1 1862615206 IDSNROYZIUKHID-JOCHJYFZSA-N 447.510 4.667 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(O)c2)cc1 1862617519 HPGLWIHNHXSKBV-QFIPXVFZSA-N 435.520 4.916 30 10 IJEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC2=CCCCC2)cc1 1862679010 UBTQFVNYBUXMQA-JOCHJYFZSA-N 449.478 4.993 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 1862724476 NDDDYCDAXMXQDB-DEOSSOPVSA-N 444.506 4.633 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CCC)[C@@H]1c1cccs1 1864474506 KMUKQHJDPABYRB-IBGZPJMESA-N 430.618 4.834 30 10 IJEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C3CCC(CCCC)CC3)sc2c1 1866010890 DHPOPALXGVRXFY-UHFFFAOYSA-N 435.615 4.696 30 10 IJEE Cc1cc(C)c(Cn2nnc(C#N)c2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c(C)c1 1870105899 MWRJTOZYXUUISV-LJQANCHMSA-N 431.540 4.653 30 10 IJEE Cc1cc(OCC(=O)Nc2c(C#N)nnn2Cc2cccc3ccccc23)cc(C)c1Cl 1870109036 HFGBQAOKIGRQPA-UHFFFAOYSA-N 445.910 4.639 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccc(Cl)cc3)c(CN3CCCC3)cc2=O)cc1 1870350280 XRBWGCHBAWBCOY-UHFFFAOYSA-N 433.939 4.596 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCC(C)CC1 1870531173 CYWRRXHDPJBFHT-UHFFFAOYSA-N 447.664 4.736 30 10 IJEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(Br)cc2)cc1=O 1870810585 JIPJJSCKJHABOA-UHFFFAOYSA-N 425.326 4.836 30 10 IJEE C#CCOc1cn(CC=C)c(CNc2ccc(OCc3ccc(Cl)cc3)cc2)cc1=O 1871004581 MYZGZDBIEAPMPS-UHFFFAOYSA-N 434.923 4.891 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872093380 UBBYQQQPKONGPH-NRFANRHFSA-N 434.989 4.887 30 10 IJEE C=C(C)CN([C@@H](CCCC)C(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)CCC 1872160495 XLWAUXHFKZWGNI-QHCPKHFHSA-N 449.661 4.792 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1872233924 YARFKYHRVFOBQP-FQEVSTJZSA-N 438.952 4.853 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CC 1872281864 QXFHVADXOLCVBE-HSZRJFAPSA-N 428.598 4.612 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(=O)oc2c1C 1873932765 YFWLZBYNAKFCRC-UHFFFAOYSA-N 436.464 4.763 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1/N=C/c1cc(Br)ccc1O 1874376457 XLISDAFBAFMRQN-WSDLNYQXSA-N 447.333 4.636 30 10 IJEE OCCSc1nnc(-c2cccs2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874425072 QEBDMXBIMVPCPA-HZHRSRAPSA-N 436.562 4.552 30 10 IJEE CCCSc1nnc(CC)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874525797 GKDYVZODTDGWEZ-RGVLZGJSSA-N 441.395 4.783 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(S)nnc2Cc2ccc(F)cc2)cc1OC 1874561734 GPFFGYXNYNMXDK-BUVRLJJBSA-N 428.533 4.757 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc(N(C)C)cc3)c(OC)c2)cc1 1875115318 XWQJHZRYOGECKS-PJQLUOCWSA-N 431.488 4.885 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OC(=O)CC(C)(C)C)c(OC)c2)c1 1875145536 LYSMMCJVLCLTAJ-CSKARUKUSA-N 442.508 4.959 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)CC(C)C 1875194040 CZNGRXSTWCBTJR-DHZHZOJOSA-N 442.508 4.959 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Br)cc3C)cc21 1890532394 UTEXHWAARHRJLS-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2F)C1 1890933354 OHPWBOHEOIRDDI-CYBMUJFWSA-N 449.370 4.999 30 10 IJEE CC(C)[C@@H](Cc1ccccc1Br)C(=O)NCC#CCN(C)Cc1ccccc1 1891178289 SFGFDXOFPWDZHT-JOCHJYFZSA-N 441.413 4.515 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(F)ccc1Br 1898324294 KQLLIRNYPLGOGX-ROUUACIJSA-N 427.358 4.936 30 10 IJEE C=CCC1(Oc2nc(C)nc(C)c2Br)CCN(C(=O)OC(C)(C)C)CC1 1903447205 FLUYNGNAXIONGG-UHFFFAOYSA-N 426.355 4.581 30 10 IJEE Cc1cc([C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1C#N 1951960932 DCXLCUBAIRFNTK-SANMLTNESA-N 426.472 4.705 30 10 IJEE N#Cc1cccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](F)C(=O)O)c1 1957734599 NHBNDCQCMXCHRD-PKTZIBPZSA-N 430.435 4.561 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2c(C#N)cnc3ccccc23)C1 2055661572 ZDVBXNJOLGXEKG-UHFFFAOYSA-N 430.508 4.664 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2079192067 PBOGHJLNZBPOHH-KIHHCIJBSA-N 444.616 4.542 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)ccc(F)c1Br 2102885351 NHTPWDUSEKPLSX-PBHICJAKSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2cc(Br)cc(C#N)c2)C1 2106103763 KAUOFUYLRNLKJU-ZDUSSCGKSA-N 430.293 4.625 30 10 IJEE Cc1cc(Br)sc1CN(C)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2157048006 VLHULHTUAUSOIT-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)C1 2181135337 PMPZODQGYYOGBW-SUMWQHHRSA-N 436.350 4.685 30 10 IJEE CC(C)(CNC(=O)OC(C)(C)C)CC1CN(c2ccc(C#N)c(Br)c2F)C1 2199520137 KRDGOEOOXVFFAI-UHFFFAOYSA-N 440.357 4.837 30 10 IJEE C[C@H]1[C@@H](C)N(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H](C)N1Cc1ccccc1 2219972817 VTNIGALGIKQXKJ-AQNXPRMDSA-N 440.462 4.531 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](CC1CC1)NC(=O)OC(C)(C)C 2235722509 AHMKBHXUMGUBJX-PMACEKPBSA-N 435.406 4.862 30 10 IJEE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2247911120 SQZMRMZSNJSQQO-UHFFFAOYSA-N 425.765 4.752 30 10 IJEE Cc1sc(C(=O)N(Cc2ccccc2)CC(C)C)c(B2OC(C)(C)C(C)(C)O2)c1C 2247932727 JYGPGAPTQAREAM-UHFFFAOYSA-N 427.419 4.963 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CCCC1 2255531602 DVUUMBCYMOOOGD-UHFFFAOYSA-N 426.410 4.564 30 10 IJEE C=C(COCc1ccccc1)C1(OCCC(=O)O)CCC(N(C)C(=O)OC(C)(C)C)CC1 2261834525 ICYIDKPWJUFJMA-UHFFFAOYSA-N 447.572 4.799 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)OCC(=O)O 2262198886 CSCGBAABRKCTJX-SQJMNOBHSA-N 447.572 4.799 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)c1 2267103575 KNZKDHWGBUXPNC-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC(C)(C)CCN1C(=O)OC(C)(C)C 2296218026 ZZKXWOUWUGPNKK-RTBURBONSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C#Cc2ccc(Br)cc2)C12CCCC2 2296230212 RBCLCAIFLODWBS-SFHVURJKSA-N 432.358 4.940 30 10 IJEE COc1cc(C=C2SC(=Nc3ccccn3)N(C3CCCCC3)C2=O)cc(OC)c1O 2314541350 KGGYNYLLSVSPDX-UHFFFAOYSA-N 439.537 4.741 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1ccc(CC)cc1 2320956463 OONMXSOQXLOGMD-UHFFFAOYSA-N 449.580 4.581 30 10 IJEE COc1ccccc1CCc1nnc(S)n1N=Cc1ccccc1OCc1ccccc1 2322070999 DEZTVFABADCBRI-UHFFFAOYSA-N 444.560 4.822 30 10 IJEE COc1ccc(C(=O)C=Cc2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OC 2322346838 UFASDEPKMTUAME-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OCC(=O)Nc1ccc(C)cc1 2323197269 VORSLNFTRJWYIP-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4[N+](=O)[O-])c3C)C2=O)c1 2323395795 LKYIROWYKPDCQU-UHFFFAOYSA-N 429.428 4.976 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 2323460851 USDFLIBGQYGLER-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 2323839172 PQUQACAFDWMPLW-UHFFFAOYSA-N 446.459 4.907 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)NCc1ccco1 2323943713 PIQMPWOIYHSXSO-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Br 2324187092 QDPNLZNGGHTPBW-UHFFFAOYSA-N 434.305 4.732 30 10 IJEE COc1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2324688302 RHCMBLANFZMGJE-OAHLLOKOSA-N 426.444 4.995 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4F)cc(C)c3C2=O)c1 2325739230 FDEYNROINTVOJA-UHFFFAOYSA-N 433.435 4.776 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N=Cc1ccccc1 2330556421 OFXCZQUPRQKWID-UHFFFAOYSA-N 433.562 4.928 30 10 IJEE COc1ccc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@@H]2CCCO2)cc1O 2330961523 JJUKQMYHWUWLTI-NRFANRHFSA-N 438.553 4.635 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(F)cc1 2331175049 JHTZNEMJIRGJBM-UHFFFAOYSA-N 449.511 4.853 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc(C)c1 2331319608 PCXLHLCRCGIYKA-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE COCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)OC)cc1 2331595094 LPXYZWACQKDBLW-UHFFFAOYSA-N 446.532 4.539 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3cccs3)cc2)c(OC)c1OC 2331885450 KQAQWKVQDMTSOH-UHFFFAOYSA-N 438.501 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(Nc2ccc(C#N)c(Br)c2F)C1 2336400577 RVDPRTOHPKMJDS-MRXNPFEDSA-N 434.256 4.516 30 10 IJEE CC1(C)OB(c2ccc(CNCc3sc(Cl)cc3Br)cc2)OC1(C)C 2343823339 CKRZDHVXTCACEI-UHFFFAOYSA-N 442.615 4.753 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2358671789 NOSLOOWCLRCHQI-HQRMLTQVSA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2360197445 MQPUOHNWHSEYLY-UFYCRDLUSA-N 435.406 4.862 30 10 IJEE O=C(C[C@@H](/N=C/c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 3028045 UATKMMKWSZSPTD-PPAWOMOGSA-N 444.658 4.934 30 10 IJEE CC(=C/c1ccccc1)/C=N/N=C1\NC(=O)[C@H](CC(=O)c2ccc(Cl)c(C)c2)S1 15055444 MVBWGLILEHMUGD-FQTQWVLJSA-N 425.941 4.898 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2ccc(C)c(C)c2)Nc2cc(C)ccc2OC)c(C)n1 32973061 GSTXJQYPABEUIG-UHFFFAOYSA-N 447.583 4.933 30 10 IJEE COc1cc(N2CCCC2)c(OC)cc1/C=C1/S/C(=N\c2ccc(C)cc2C)NC1=O 33291713 LRQZYGXEYOWZBR-LPYMAVHISA-N 437.565 4.812 30 10 IJEE COc1ccc(OC)c(/C=C2/Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c1 34688271 YMFMIBLQCPOZPG-VZCBAMJPSA-N 428.440 4.939 30 10 IJEE CCOc1cc(C=O)c(Br)c(Br)c1OCc1ccccc1C#N 35657468 KDFKRQOPLPYHDE-UHFFFAOYSA-N 439.103 4.873 30 10 IJEE C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C 36345870 KXFUWIIKEAKXCX-XMMPIXPASA-N 447.579 4.503 30 10 IJEE COc1cccc(/C=C/C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1OC(F)F 97554169 ULIKCHYIBHRRKF-VFNNOXKTSA-N 427.234 4.998 30 10 IJEE COc1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1 100409055 KJMVGQPYHHTMGU-CAOOACKPSA-N 432.055 4.519 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)S/C1=N/CCc1ccccc1 102157883 KBHSRPGAJOXYPX-BQAVYGMZSA-N 439.606 4.990 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC(C)C)cc2)cc1 102706070 DOSPTHNIVLAMQZ-VFJWVMJUSA-N 432.476 4.705 30 10 IJEE COc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 102904412 OZMXIBDQKZBSHF-LCPUNJGISA-N 446.484 4.833 30 10 IJEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)c1 103226504 HSYQGXQUIWRJOP-MYXKAAJQSA-N 442.515 4.836 30 10 IJEE Cc1ccc(C)c(N/C=C2\C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)c1 105337770 JWQWPTXMXXAZQA-UDWIEESQSA-N 442.537 4.990 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(OCC)c3)[C@H]2c2ccncc2)c1 170014745 YJIHNAFYIZQWHH-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc3ccccc23)cc1 170044749 WWLMYYUFMFHANH-GBXCKJPGSA-N 427.500 4.906 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cn(C)c2ccccc12 170084229 HLKKZSTXMLNHOF-HSZRJFAPSA-N 442.471 4.558 30 10 IJEE CCOc1cccc(NC2=C(c3ccc(C)c(C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 170117119 ABOGPKYEUXETPG-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(OCC(C)C)cc1 170167310 KAOSZRWTBFLGJL-NRFANRHFSA-N 438.480 4.618 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccncc1 170205594 ZMLYTAFGDBQMKS-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@@H]1c1ccc(F)cc1 170243644 UMCSEGBTOLZCAJ-SFHVURJKSA-N 448.288 4.585 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccco2)cc1Cl 170288300 VDMHZRJEOIYBFP-IBGZPJMESA-N 438.823 4.933 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2sccc2C)cc1OC 170319589 SBVIEJMJMQPMSO-LJQANCHMSA-N 427.522 4.595 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccncc1)c1cccs1 170357302 YSPDHVIJLIXSGF-QFIPXVFZSA-N 445.544 4.916 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2sccc2C)c1 170405093 LJVUBLYTJOEPSL-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3ccccn3)sc2c1 170479071 ZZNWFCCZEKSGTP-HXUWFJFHSA-N 437.521 4.605 30 10 IJEE COc1cc(C=NO[C@H](C)C(=O)Nc2cc(C)on2)ccc1OCc1ccc(Cl)cc1 254711412 ODBCNOANIQGJAU-OAHLLOKOSA-N 443.887 4.602 30 10 IJEE COc1ccc(-c2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccccc2)cc1 254838291 JKPCYXSSRQEXHL-UHFFFAOYSA-N 428.448 4.890 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](COc2c(C)cccc2C)c2ccccc2)cc1C#N 435461790 DRMMKELJFDMGIZ-HXUWFJFHSA-N 433.533 4.548 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 435766713 ZWTINAKPWDGQRR-RTBURBONSA-N 425.495 4.526 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(OCC(C)C)CC1 508832319 JHVIABBFKXWOBC-UHFFFAOYSA-N 439.387 4.991 30 10 IJEE C=CCn1c(-c2cccc3ccccc23)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 508868394 UWORTHNEQHMAOF-IBGZPJMESA-N 431.584 4.661 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 508962803 QYRKFEWJDOIVFZ-HXUWFJFHSA-N 433.604 4.554 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(F)c(F)cc1Br 510745854 FASNPMYBOPMSTL-UHFFFAOYSA-N 440.244 4.533 30 10 IJEE Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 512724179 DINAIBAPHHWXIZ-JOCHJYFZSA-N 442.523 4.530 30 10 IJEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2SCCC#N)CC1 517441313 SRAJPBXUEOBFCV-UHFFFAOYSA-N 436.581 4.595 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1Cl 517597952 DMOOUXSXKODMIN-GGAORHGYSA-N 444.922 4.922 30 10 IJEE Cc1c(C(=O)Nc2nc3c(cc2C#N)CCCC3)cnn1-c1cccc(C(F)(F)F)c1 538273993 BIKRHRWQOYLNDM-UHFFFAOYSA-N 425.414 4.597 30 10 IJEE C[C@H](C(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1)n1cnc(C#N)n1 538404473 IMGVFPYFMPTZPZ-HXUWFJFHSA-N 437.503 4.523 30 10 IJEE COC(=O)[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc2ccccc2c1 543083485 FEQGBAYEMBASSS-XMMPIXPASA-N 440.455 4.528 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](c2cccs2)C1 549692938 YBIOSALVBMBRRS-FQEVSTJZSA-N 432.553 4.551 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 555240793 PAODGCZCFKZVBT-UHFFFAOYSA-N 431.515 4.979 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3c(F)cccc3Cl)CC2)cc1C 586505727 GUKNXRGLZCMAAV-UHFFFAOYSA-N 439.936 4.542 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N(C)C[C@H]1CCOC1 670221478 OMZMCGHUNUMUEO-HXUWFJFHSA-N 436.531 4.712 30 10 IJEE N#CCc1ccc(O)c([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 687753647 PDIJDRPVHWZSNR-HSZRJFAPSA-N 442.471 4.513 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N/[C@@H](C)c1cccs1 733200112 ABVJRLKKJAACBK-YACQCHSOSA-N 445.997 4.815 30 10 IJEE C#CCN(C(=O)C[C@@H]1CCOc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 735440538 GJOIWSKOIJOVHX-OXJNMPFZSA-N 440.337 4.691 30 10 IJEE N#C[C@@H](C(=O)CCc1cc2ccccc2nc1O)C(=O)Nc1ccc(SC(F)F)cc1 767431659 GONNDTGHNMDSDR-KRWDZBQOSA-N 441.459 4.535 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCc1cc(F)ccc1Br 784830899 DVONLVOCLJKKMA-GOSISDBHSA-N 445.332 4.993 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)CCCN1C(=O)OC(C)(C)C 790264114 IFMLVLPXOYLXMN-CRICUBBOSA-N 441.572 4.558 30 10 IJEE C#C[C@H](NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 812748609 WHGNKJBXWMCICZ-IBGZPJMESA-N 441.300 4.975 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1ccc(OC(C)C)cc1 917879653 UHBPWVLBBJOSHQ-FQEVSTJZSA-N 445.382 4.755 30 10 IJEE Cc1ccc2nc(CSc3n[nH]c(NN=Cc4c(O)ccc5ccccc45)n3)[nH]c2c1 1083967823 CWXRREOZXIMUFY-UHFFFAOYSA-N 429.509 4.587 30 10 IJEE CC(=NNc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N)c1ccc(F)cc1 1084272615 NKOHPYJCWFKAAK-UHFFFAOYSA-N 425.320 4.566 30 10 IJEE O=C1C(=Nn2c(S)nnc2-c2ccccc2)c2ccccc2N1Cc1ccccc1Cl 1084501270 KJKUKDLHJJJOGU-UHFFFAOYSA-N 445.935 4.686 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Br)c3)n2CC(=C)C)C1 1116952968 FJYAHMRIWWUMIX-LPHOPBHVSA-N 447.377 4.538 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1130562883 CHZNMOJUNOWJHL-INIZCTEOSA-N 430.379 4.824 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CCCC1 1131111753 XZISJZCGIYPHPX-UHFFFAOYSA-N 427.010 4.627 30 10 IJEE C=C(CC(C)C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1141396218 ZVKNCXCSLZJLOG-SXGWCWSVSA-N 427.353 4.748 30 10 IJEE C=CCc1cc(CNC(=O)c2cc3c(C)c(Br)ccc3[nH]2)cc(OC)c1OC 1142602687 CVBQPYSWFPMGRP-UHFFFAOYSA-N 443.341 4.915 30 10 IJEE C=CC1(CC(=O)NCc2ccc(C)cc2OCCCCC)CN(C(=O)OC(C)(C)C)C1 1150860681 HKJROGLSMZLFFA-UHFFFAOYSA-N 430.589 4.993 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC(F)F 1159427875 WWSXDDITMBJIKV-FQEVSTJZSA-N 448.897 4.808 30 10 IJEE C=CCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1159428184 VJEPJVOKFAYLRW-UHFFFAOYSA-N 440.487 4.838 30 10 IJEE C=CCOCCCC(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 1161319305 DZROKAJHCVYPNG-UHFFFAOYSA-N 428.960 4.550 30 10 IJEE C=CCn1c(SCC(=O)N[C@@]23CCCC[C@@H]2C3)nnc1-c1ccc(Cl)cc1Cl 1171404148 YWEBOZRTRBGLPS-ZUOKHONESA-N 437.396 4.979 30 10 IJEE C#CCCCCC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1181918065 DZJOJJPAORTIFW-FQEVSTJZSA-N 426.557 4.590 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 1204046171 UNDHMCKISHAOFY-UHFFFAOYSA-N 431.458 4.700 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 1211823590 ORKVCIDGDVULFL-UHFFFAOYSA-N 435.899 4.903 30 10 IJEE CCCc1c(NC(=O)NCc2ccccc2Br)cnn1-c1cccc(C#N)c1 1216752822 FLHCBHWVGWLNRP-UHFFFAOYSA-N 438.329 4.781 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)ccc1OC 1221923602 GTCSDFBWAOXLBR-HKUYNNGSSA-N 441.503 4.617 30 10 IJEE C=CCCC[C@H](NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)c1ccccc1 1246652395 JGRFOCKMGQUJQJ-VQTJNVASSA-N 432.973 4.907 30 10 IJEE C[C@@H]1CCCN(c2cc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)ccn2)C1 1272259853 HIEAXYSWSVLSOS-GOSISDBHSA-N 442.567 4.925 30 10 IJEE C#C[C@@H](NC(=O)c1c(C)ccc(F)c1Br)c1ccc(Br)cc1 1275475556 ZOINRXPZODUKJW-CQSZACIVSA-N 425.095 4.763 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OCC2CC2)nc1 1286278738 QEXWAYYGMJCRMI-CVDCTZTESA-N 429.568 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1nccc(C(F)F)n1 1286583662 PXSDHNJEXXOKGH-UHFFFAOYSA-N 442.514 4.652 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1286707961 LKTCRPBAJKRAAL-SJORKVTESA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1C[C@@H]1CCC(F)(F)C1 1286747152 KDZMLENBVFRBDE-MRXNPFEDSA-N 428.462 4.502 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1C[C@H]1OCC[C@H]1C 1286749572 AJJLIBAZRFJEKG-DENIHFKCSA-N 438.597 4.845 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N1CCCN(C(C)C)CC1 1286799594 XJPMTKWYVINWPY-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCc1ccc(OCC(=O)N(c2ccc(Cl)cc2C)[C@@H]2CCO[C@H]2C)c(OC)c1 1288051803 VJORKWYXKUHCDH-LAUBAEHRSA-N 429.944 4.975 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2CCc2sc(C)nc2C)n1 1289937970 IFJSVHFTXXDHSF-UHFFFAOYSA-N 437.617 4.731 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1Oc1cccc(F)c1 1290933441 GBMPQONAFOQJPY-SFHVURJKSA-N 449.910 4.665 30 10 IJEE CC[C@@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCCN(C(C)C)C1 1291463773 GXNRFBYTXHMOSP-OFNKIYASSA-N 434.632 4.953 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CCCC1(C)C 1297187112 WXRGECBRQQLTCT-NRFANRHFSA-N 430.545 4.833 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2c(c1)nc(C)n2[C@H](C)CO 1297868596 IIAKGIVPSWPSPU-CYBMUJFWSA-N 433.430 4.734 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@]3(C)Cc3cccc(Cl)c3)n[nH]2)c1C 1300244691 KXEICERZOXPHFA-XMMPIXPASA-N 437.975 4.967 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C 1300649906 YFRRVJGTKHCGDQ-QHCPKHFHSA-N 437.607 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCCCN1CCC[C@@H](C)C1 1300813112 AMKZYTGFDUOCNZ-UFHPHHKVSA-N 447.671 4.958 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1300868800 HTICGKADVHCDLM-LBRNTXKHSA-N 438.616 4.805 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(Cl)c(OC)c1 1300918845 KLBPEQUAZRSQNX-UHFFFAOYSA-N 431.993 4.747 30 10 IJEE C=C(C)COCCn1c(N2CCS[C@@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1301001322 HFZBHCKQGLVJCL-JOCHJYFZSA-N 440.657 4.919 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1301056709 HPLNTHTYLQIQNP-SUMWQHHRSA-N 439.785 4.997 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1301185888 MXHUJVXOYHOEQN-OAHLLOKOSA-N 443.498 4.838 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H]1CCCCO1 1301207712 FQTWKWLEVIHSCM-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@](C)(OC)C1CC1)C1CC1 1301316201 HXVPTTOTXCUDPF-NRFANRHFSA-N 449.368 4.817 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCSC1)C1CC1 1301320888 QTMSMODZFZPRRO-KRWDZBQOSA-N 428.602 4.649 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@@H](C)C1 1301335155 YDHFOSSLSQEYPL-LEWJYISDSA-N 449.599 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1CC 1301359205 HARFFKBNSZSVDO-SFHVURJKSA-N 425.577 4.823 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C(F)(F)F)cs1 1301380074 YZRUTVCIBQQQND-UHFFFAOYSA-N 430.459 4.519 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)cc1 1301526574 PARVYZDOTYSHBD-NFBKMPQASA-N 431.584 4.892 30 10 IJEE C#CCN(C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1)C1CSC1 1310562646 GKJBJJVVALZKPK-UHFFFAOYSA-N 436.990 4.864 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)c1ccc(Cl)cc1F 1311694696 LIRRECLEIBRJNA-OAQYLSRUSA-N 444.934 4.518 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 1311999905 OLTOZUHUPIWHEP-QFIPXVFZSA-N 429.511 4.508 30 10 IJEE C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1344729118 IXASSOOQLSXGAX-KMXBQNHCSA-N 444.579 4.697 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)COc1cccc(I)c1 1350408830 XJZFGKRBNOJVLA-UHFFFAOYSA-N 447.725 4.600 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1OC 1354563099 ICSKOJPLPRZIJM-KXVXVKRDSA-N 440.515 4.665 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1(CC)CCCC1 1358972817 UOIYBWOUEYXIBX-UHFFFAOYSA-N 425.374 4.751 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCCCN1CCC[C@@H](C)C1 1358988169 GDDDCVWRVKHDOG-JOCHJYFZSA-N 443.595 4.666 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CC1(CCOCC)CCC1 1358988410 NMAXZCKKHGSHFV-UHFFFAOYSA-N 430.552 4.751 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CC[C@@](C)(CC)O1 1359004991 RDWRAKGIVZDXOP-CJFMBICVSA-N 440.588 4.548 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC(F)(F)CO1 1359107178 FHHMZKXIUOEWII-MOPGFXCFSA-N 434.531 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](c1cccc(F)c1)N(C)C 1359114835 BDEDTBCWFQOFDX-NRFANRHFSA-N 427.593 4.775 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOC[C@@H]2CCCO2)CC1 1359176195 OZSQEPOCYVWZCD-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ncccc2F)CC1 1359186066 STRWVMJVLLGLLW-UHFFFAOYSA-N 436.535 4.524 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1359189138 BWHZHOZEYHMZDC-UHFFFAOYSA-N 438.595 4.806 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1359189444 LCWGKFKFUNSUOS-IBGZPJMESA-N 438.551 4.686 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1359248552 SUXNBVQZXKAZJG-SFHVURJKSA-N 444.023 4.882 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCO1 1359262631 ZSLGXNRXFQEPMI-YLJYHZDGSA-N 442.560 4.990 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(Cl)s1 1360769139 DPJCVTLSMORHGC-ZUOKHONESA-N 449.914 4.762 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)cc1 1435978376 ZWOPJESHCIRZSU-VLCRHTCISA-N 440.337 4.983 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)ccc1Cl 1437371045 SUMVWLDEIHTEMP-YTQUADARSA-N 444.984 4.640 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccccc3CCN(C)C(=O)OC(C)(C)C)cc2n1 1439618881 WRQGFDPPQRLMRX-UHFFFAOYSA-N 434.540 4.884 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 1441251662 PYXOJYJOOHLBBR-FQEVSTJZSA-N 448.991 4.761 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Oc2ccccc2F)c1 1452800897 JJDVZYIIQAISCV-FQEVSTJZSA-N 426.488 4.541 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1456450526 RWCXFKYUYBKUBP-UHFFFAOYSA-N 447.278 4.582 30 10 IJEE C#CCN(C(=O)/C=C(\C)c1ccc(OC)cc1)[C@H]1CCOc2ccc(Br)cc21 1456451020 SHVIFJPLCJNGLR-OZIPEELISA-N 440.337 4.847 30 10 IJEE C=CCc1cc(C(=O)Nc2cccc3cc(Br)cnc23)cc(OC)c1OC 1459977041 QMQSCEPBDODBDQ-UHFFFAOYSA-N 427.298 4.995 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)cc1OC 1462626395 IOTLSOGUGNUHFT-PKNBQFBNSA-N 436.533 4.968 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1462761971 FUYOBISRANKCRQ-HNNXBMFYSA-N 426.529 4.587 30 10 IJEE CCCc1nc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)nn1-c1ccccc1Cl 1463086103 BWCBGHIHSZEIRW-UHFFFAOYSA-N 433.943 4.765 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CSC(c2ccccc2O)=N1 1464415443 BNTNKINEZHQKJH-NRFANRHFSA-N 429.501 4.865 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 1466814575 FEQRKJPLAPBOCH-FQEVSTJZSA-N 431.552 4.841 30 10 IJEE C=CCOc1ccc(CNCc2ccc(I)c(Cl)c2)cc1OC 1474126205 NJKCZPVUTOAINR-UHFFFAOYSA-N 443.712 4.808 30 10 IJEE C=C(C)CS(=O)(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1474840211 IHWAIBGUBCFFSO-SFHVURJKSA-N 445.437 4.650 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)c2ccccc2Cl)c(C)c1 1475014124 CPFBFIYWCAFVQA-JOCHJYFZSA-N 444.915 4.736 30 10 IJEE CCCc1c(NC(=O)NC[C@H](CC)Oc2ccccc2F)cnn1-c1cccc(C#N)c1 1476433026 AVERVONXMBTRES-IBGZPJMESA-N 435.503 4.815 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)c1ccc(Cl)cc1 1477239702 IUYGULNJWMIELL-XZOQPEGZSA-N 425.960 4.549 30 10 IJEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1ccsc1)N(C)C 1507679214 SGYKKBOUFABNOD-JOCHJYFZSA-N 433.625 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCCCN1CCCCC1 1507770695 PYJMJIOLIDTRAU-HHHXNRCGSA-N 433.644 4.826 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(CC)C[C@@H](C)CC 1507787620 ISAMVEILWUGPGF-ZDUSSCGKSA-N 427.337 4.928 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CC=C(C(F)(F)F)CC1 1507808452 QTLZBLDKTVFTFM-VQIMIIECSA-N 438.519 4.610 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(CC)CC1CCC1 1507840241 YNAPSRPYPFHHOA-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1507865444 CHLRJBKPCUISMS-KRWDZBQOSA-N 429.977 4.648 30 10 IJEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCc2ccc(Cl)nc2C1 1507870098 DGHBEUWSGSMZJF-UHFFFAOYSA-N 430.339 4.529 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@@H](OC)C(F)(F)F)CC1 1507909148 SVAVBCUEOVPHGF-LJQANCHMSA-N 438.494 4.535 30 10 IJEE C=CCCCCn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507937411 POSRYQOPBAJOLX-PXDATVDWSA-N 442.579 4.808 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(OC)nc1 1508008765 SQHOKNVYCJFWKJ-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=C)c2ccccc2)C1 1508131238 ZAYGQMBMQWRYIJ-DNVJHFABSA-N 436.600 4.691 30 10 IJEE CC1(C(=O)N[C@H]2COc3ccc(Cl)cc32)CCN(c2ccc(Cl)cc2C#N)CC1 1517189988 FDOZQKWBNHHPAD-SFHVURJKSA-N 430.335 4.721 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nnn(-c3cccc4ncccc34)c2C)C(F)(F)F)cc1 1521343436 DCXMBVSTOYNCMP-NRFANRHFSA-N 436.393 4.566 30 10 IJEE C=C[C@H](CC)CC(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1523059968 UHPYBTKPVLMTTP-PKVLTRFUSA-N 427.353 4.748 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1524473502 MQLZMYXJVBSGMO-SANMLTNESA-N 434.536 4.997 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1ccc(F)cc1 1528047156 DYHBEGOLZYEPDX-SFHVURJKSA-N 428.294 4.911 30 10 IJEE C#CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)[C@@H]1CCCc2ccccc21 1536279106 JJVNCPGXBCAMPU-JWQCQUIFSA-N 432.564 4.867 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 1539384585 KSZJIGAVUOQSNW-UHFFFAOYSA-N 440.592 4.552 30 10 IJEE C=C(Br)Cn1c(N2CCS[C@H](C)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1539612006 GDMODDUYZJNLRW-DLBZAZTESA-N 447.446 4.987 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCCCCC1 1539641772 OENFMQAQSLSYRN-WMZHIEFXSA-N 442.629 4.941 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1nccs1 1539642709 JPHONVJPVFOUSI-NFBKMPQASA-N 437.613 4.528 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539694657 GRTMFURZVSIFOO-NRFANRHFSA-N 428.577 4.570 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC(C)C)nc2)CC1 1539859584 SWCDCVJKGITZOB-IFMALSPDSA-N 439.604 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1539912274 FXMTZNYYYOPASA-UHFFFAOYSA-N 435.494 4.599 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1539952765 IVFUOXJBFQLHPW-JOCHJYFZSA-N 447.583 4.732 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1540047006 DCJHNQKRHMYOTE-HSALFYBXSA-N 443.611 4.936 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N1CCCCCC1 1540058827 YCIUQKWEWMPOBM-UHFFFAOYSA-N 436.387 4.667 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC[C@@H]1CCO[C@H](C)C1 1540133068 BEGNGWBYQYFILD-WOJBJXKFSA-N 435.547 4.877 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCCC1(C)C 1540136975 OOJZFTKGNBVUIA-BWKNWUBXSA-N 442.579 4.793 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Br)n1C[C@H](C)OC 1540140975 XHNZEOAVVLISQH-HNNXBMFYSA-N 447.402 4.997 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1CC1CC2(CCOCC2)C1 1540172139 QTKFZFPCERQMCC-UHFFFAOYSA-N 428.527 4.532 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1540172381 ZCPQOVDEUZXDFH-CJFMBICVSA-N 425.596 4.697 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1540395070 DVOCKNGTXABOOM-HDICACEKSA-N 447.000 4.839 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOC2CCCCCC2)C1 1540887421 WYRDHRZTTNTXGJ-HXUWFJFHSA-N 445.995 4.514 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1c(C)nn(C)c1C 1540910341 FZLIPYBAVWTAJG-UHFFFAOYSA-N 436.585 4.597 30 10 IJEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)CC1 1544273327 IDLTWZJBOOHHEC-SFTDATJTSA-N 434.632 4.810 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1544453980 BMESCUJTTIPGHK-YLJYHZDGSA-N 431.964 4.910 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1557476800 OUHOYHORWNQIMR-QFIPXVFZSA-N 442.600 4.680 30 10 IJEE C#Cc1ccc(NCc2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)c(Cl)c1 1561031151 HKZHVQXALXAQBY-UHFFFAOYSA-N 425.868 4.901 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 1562255407 BQHHRBWBASIXLU-IERDGZPVSA-N 430.911 4.564 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 1564067498 WYPIEAFUGVJMDZ-HXUWFJFHSA-N 427.342 4.816 30 10 IJEE C#C[C@@H](NC(=O)NCCc1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 1564289418 HQCLOEDXADZPIT-OAHLLOKOSA-N 448.773 4.928 30 10 IJEE C=C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1584753712 RINHVJAIBCLKDG-QRQLOZEOSA-N 440.506 4.898 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)C(C)(C)C)cc1 1585443191 HADIGPBFGLQVSH-UHFFFAOYSA-N 434.511 4.982 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CCCC1(C)C 1587620848 LSDNLKGHZJQHPT-MOPGFXCFSA-N 446.599 4.520 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCCC1CCOCC1 1588280176 HSVNDRFANRXENE-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(c2ccsc2)CC1 1589042512 FAPJHGGAAMNYPB-UHFFFAOYSA-N 438.622 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1589515488 OERKQPJJTGVKFV-JXFKEZNVSA-N 429.927 4.683 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(C)ccc1F 1589529206 MCSLMPGKZAINAD-XXBNENTESA-N 435.547 4.714 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1589545615 ODSRPRUDJQPBAC-FJIJXJHWSA-N 437.632 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(C)(C)C1CC1 1589651890 JALMIEKHWJJLRP-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1CCCCC1 1589652052 NVLQQXGQDFAVPP-UHFFFAOYSA-N 434.588 4.879 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[C@H]21 1593763267 FWNAWPWZZZVRAK-MAUKXSAKSA-N 437.371 4.745 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2sccc2[C@H]1CC 1594449211 UKCYNQXPLWYNPJ-GOSISDBHSA-N 427.618 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3cccc(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1594528281 HXNVZYGLJCUZKO-NVQXNPDNSA-N 438.616 4.835 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC(F)(F)F)CC1 1594732464 DROBLVFIFIVXPN-IBGZPJMESA-N 436.478 4.926 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCCC1 1595133952 PKOLVBNDSZTZSJ-NRFANRHFSA-N 428.552 4.547 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CCCCC2)CC1 1595434786 RVUKMIYCWRAGFC-UHFFFAOYSA-N 437.632 4.930 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2sc(C)c(C)c2c1=O 1613269860 PCUSGXKOFRLKKX-WRFANHODSA-N 433.643 4.682 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 1616302623 CEDQXGUWJOLKPG-CQSZACIVSA-N 425.938 4.994 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1618706478 QQSBAKGMFVMUAP-RMHQSFGDSA-N 448.748 4.508 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)c(Cl)c1 1623196077 GMALOAUDNXWNDP-UHFFFAOYSA-N 428.895 4.636 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 1623380867 YTDBVPADKJTGTP-UHFFFAOYSA-N 438.356 4.551 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 1625416215 MSJGPPYMVASGFT-UHFFFAOYSA-N 442.487 4.594 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 1626157646 FXOGTHJPFYJDFM-GOSISDBHSA-N 427.570 4.596 30 10 IJEE COc1cc(NC(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(F)cc1C#N 1626517749 DIOJTOCZAHFIGQ-HXPMCKFVSA-N 437.393 4.719 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 1627351033 MXZSVXNZBNJOMC-FGZHOGPDSA-N 447.000 4.651 30 10 IJEE CCCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1C[C@H](OCC)C12CCCC2 1629482997 FGQGTSQYUFBDMY-VXKWHMMOSA-N 425.573 4.643 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc(Cl)cc1F 1630028915 UZCDZYOKQKJFDV-HXUWFJFHSA-N 427.838 4.979 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(C(F)(F)F)c(O)n2)cc1 1630572808 FLCOCIGTHWPKIR-UHFFFAOYSA-N 429.373 4.659 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc(OC)c1OC 1631480281 UXYLIUDJYQDESK-UHFFFAOYSA-N 439.515 4.973 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]c2ccc(Br)cc12 1634580593 IMWAFKMMEVUCNR-AWEZNQCLSA-N 442.741 4.905 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 1635262174 YEWDPYVLWYFZGT-IBGZPJMESA-N 449.494 4.522 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1)c1ccccc1 1638029670 ORINEHRJDOACGS-ISKFKSNPSA-N 449.595 4.714 30 10 IJEE Cc1cc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1Oc1cccnc1 1666310993 CCSRZGYVQXYGJE-UHFFFAOYSA-N 427.508 4.845 30 10 IJEE COCCN(CCC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1669013163 ACWYPNJVPCOEKD-UHFFFAOYSA-N 439.512 4.563 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 1671881750 BLYIALRACNUPEC-LJQANCHMSA-N 425.414 4.962 30 10 IJEE C#CCN(C(=O)Nc1ccc(OC)cc1F)[C@H]1CCOc2ccc(Br)cc21 1673768683 DTXRGEUWMGHCER-SFHVURJKSA-N 433.277 4.588 30 10 IJEE C#CC1(NC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)CCCC1 1673789555 DFDYYMMGAUJPRR-UHFFFAOYSA-N 436.987 4.730 30 10 IJEE C=CCCC(C)(C)CNC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 1675070575 LETBEQNJCQCNKK-UHFFFAOYSA-N 429.586 4.621 30 10 IJEE Cn1cc(CNC(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)c(-c2ccc(C#N)cc2)n1 1680669541 CGINHTRCQATBTP-FQEVSTJZSA-N 427.552 4.613 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC2(C)CCCC2)c1 1689873713 UBLIGLZFZNZRLU-UHFFFAOYSA-N 433.600 4.647 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1689938320 HZFZHIICYGVZDJ-LPHOPBHVSA-N 431.378 4.658 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1690162044 ZCGBMKVKQLWEBP-FCHUYYIVSA-N 438.641 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1690248265 MAZKOFSSGMMRGN-URXFXBBRSA-N 438.616 4.809 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCc2cccnc21 1690268794 YOXHRUBWJZEXGG-QFIPXVFZSA-N 431.584 4.795 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCC)C1 1690304705 LPLOKGVPYSBPPB-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1690306718 CKUWPSBEXWXZES-SFHVURJKSA-N 444.988 4.831 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCN(C(C)C)CC1 1690352427 CWXPOTJBBJQONA-UHFFFAOYSA-N 446.039 4.962 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690422379 NAMMDRSKRJGYQA-PMACEKPBSA-N 430.980 4.585 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1690486615 OBCPMEHKLQVUCQ-IBGZPJMESA-N 438.551 4.865 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@](C)(OC)C1 1690499826 BIPNBFSQFZFEBN-UUOWRZLLSA-N 444.645 4.729 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1CCCC2(CC2)C1 1690503939 SNRHTQIPLNHCMR-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCO[C@H]1C(C)C 1690605392 IGGIVEFLJVGYKJ-CVDCTZTESA-N 438.547 4.973 30 10 IJEE CC(C)(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nc2cc(Cl)ccc2s1 1691144666 AKNQHFPIKLYBLU-FQEVSTJZSA-N 432.956 4.620 30 10 IJEE CCc1ccc(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@H](C)C#N)s1 1694528942 GYWOUOSFOYZBKK-MRXNPFEDSA-N 432.553 4.868 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1705512264 XOIIUPSBKXKFET-UHFFFAOYSA-N 449.002 4.740 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705524576 OZWWNHGNJUOSLO-XMMPIXPASA-N 430.600 4.655 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC(O)(CCC)CCC 1705547945 VJCJZONCXDLGIE-UHFFFAOYSA-N 437.613 4.778 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(O)CCCCCC1 1705606952 LWNUQESRAHPNAN-GOSISDBHSA-N 426.630 4.676 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1705798569 WCQDSMMQHYDUPY-JYFHCDHNSA-N 443.599 4.630 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)OC1CCCC1 1705826650 ZATHXOQADZYFPG-UHFFFAOYSA-N 441.395 4.672 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCCC2)CC1 1705886639 BPEXGNMASMWVSB-GOSISDBHSA-N 429.996 4.712 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1705887234 UXPOAGZINAFOSM-UWVAXJGDSA-N 430.980 4.878 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2sccc2C)C1 1705914939 GZWXFRRVWRAQAJ-YLJYHZDGSA-N 442.560 4.757 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCCCC1 1705940534 ICVYTPJQGYPHKD-UHFFFAOYSA-N 438.439 4.734 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 1705941567 NXMPGJMHZIKMBH-UHFFFAOYSA-N 443.020 4.631 30 10 IJEE Cc1ncsc1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1707004469 FSBSCBRZNGTEHQ-QFIPXVFZSA-N 441.004 4.660 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1722326111 FFUDXTSTBNTNNU-UHFFFAOYSA-N 440.882 4.519 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CC1CCC(C(F)(F)F)CC1 1722416483 ZCGVPNUFSGWFHH-UHFFFAOYSA-N 438.469 4.824 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722483320 JDRQRRAWOGSXOY-NRFANRHFSA-N 433.394 4.804 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2(O)CCCC2)CC1 1722579786 TWPZYRKUSFKWFE-UHFFFAOYSA-N 438.616 4.996 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCc2c(ccnc2O)C1 1722619932 MSBCVEVLZXIBAF-UHFFFAOYSA-N 447.583 4.918 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC(C)(C)C1 1722620968 UPTXLFMWLKMOHF-KRWDZBQOSA-N 435.638 4.648 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCCCC1)C1CC1 1722645363 KFLUAQVHFDBPDJ-UHFFFAOYSA-N 431.531 4.577 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCc3cc(OC)ccc32)C1 1722719619 XJMYMSIFYZMASC-RBBKRZOGSA-N 438.616 4.777 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722734650 FZTMUQBTZJCDOV-HXUWFJFHSA-N 425.602 4.520 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)COC 1740646725 IXSASUGRAAYSJX-UHFFFAOYSA-N 441.000 4.949 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(NC(C)=O)cc1 1740664421 PPTROTALMRMVTE-QGZVFWFLSA-N 447.608 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CCc1ccc(OCC(F)(F)F)nc1 1740774816 BQYFPDATHKOUEG-UHFFFAOYSA-N 439.526 4.848 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@H]1CC 1740791217 XZCGPFIUEUZSRV-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1Cc1ccc(C)nc1 1740917247 LQTRPPFTEHAKHV-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1Cc2ccccc2O[C@@H](C)C1)C(C)C 1740924152 INPJCIDFDUVGEW-JTHBVZDNSA-N 437.632 4.888 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CCc1ccc(F)c(F)c1 1740936510 XIZDWHNWRHWKNB-UHFFFAOYSA-N 435.478 4.689 30 10 IJEE CCC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@](C)(C#N)C1)OC 1745261549 CITQMNMEPCSEOB-WIYYLYMNSA-N 446.393 4.653 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1748734375 FQKQGATVSCHFTP-AZUAARDMSA-N 442.007 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@@H](OCC)C(C)C 1749063641 ASVQBOXITIINRR-ZEQKJWHPSA-N 446.599 4.574 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1cccc(C(F)(F)F)n1 1749071810 SNMPSLDPOBTEBP-HSZRJFAPSA-N 439.485 4.632 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(C)CC1 1749213912 RUKYCVGDDYHENV-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(F)c(F)c2)CC1 1749293688 DQWGXFYVEWGMID-UHFFFAOYSA-N 431.874 4.507 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1749304965 LXJKZJKEAIVQCQ-OAQYLSRUSA-N 435.641 4.997 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1749752449 QETUPVNBAAMYJX-OAQYLSRUSA-N 435.597 4.616 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1760157435 PEXFKOLAWOQECG-JOCHJYFZSA-N 446.599 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)c1cccs1 1760289178 JRELULIVJXDMBI-HSZRJFAPSA-N 435.553 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1C[C@](C)(O)CCC(C)C 1760293281 QNAMRFSYRVOTGF-CLJLJLNGSA-N 433.600 4.616 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC(C(F)(F)F)CC1 1760326572 XZQDFIDJQCNAEH-DENIHFKCSA-N 448.533 4.937 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1760359581 RUMGCMGJWSGEHI-UHFFFAOYSA-N 437.632 4.993 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCN(CCC)C2)CC1 1760396676 HTWUAQCVTWUBTM-FPOVZHCZSA-N 441.595 4.692 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1760415243 RZHXNUAMSRSFCH-IBGZPJMESA-N 426.605 4.678 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC[C@@H](O)C1 1760458187 WHJRGSRLYREDPU-DZGCQCFKSA-N 439.785 4.534 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1CC[S@](=O)C(C)(C)C 1760477775 KREFKGVGBSCHCP-HKBQPEDESA-N 444.645 4.684 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCN1CCC 1760481595 COVJXGWOEXPYOK-QHCPKHFHSA-N 432.616 4.741 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1CCC(=O)Nc1cccc(Cl)c1C 1760493265 ZDFXNZSFDDDIRG-UHFFFAOYSA-N 436.947 4.509 30 10 IJEE C[C@H](CN1CCCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1761430927 CJNFWJHHWCYQFU-NHCUHLMSSA-N 434.632 4.811 30 10 IJEE CCCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)S[C@H](C)C2)c(C)n1 1765804759 DHGWRNIBXLSITO-HDICACEKSA-N 449.628 4.500 30 10 IJEE COc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1cccnc1)C(C)C 1768878363 GXMGKEAHDDIQHE-BKMJKUGQSA-N 444.583 4.919 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CCCC(F)(F)F)c1 1770745781 DKMNFJRKRDTCGS-UHFFFAOYSA-N 431.384 4.938 30 10 IJEE CCCN1C(=O)/C(=C\c2ccc(O[C@@H](CC)C(=O)O)cc2)SC1=Nc1nc(C)cs1 1772763559 BEUUYFMVMLAZLZ-YYCKOHORSA-N 445.566 4.708 30 10 IJEE COc1cc(NC(=O)c2nc(-c3ccccc3C#N)n3ccccc23)c(OC)cc1Cl 1858355359 LIRUBPHOAQMODM-UHFFFAOYSA-N 432.867 4.796 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)cc1 1860684670 RMXBRAWVRYYAMD-UHFFFAOYSA-N 438.483 4.716 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccccc1Cl 1861913976 JCCRQRMZRZCUKV-OAQYLSRUSA-N 428.985 4.572 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccnc2)cc1 1862413862 MLRXHCWZPZYAHL-JOCHJYFZSA-N 434.442 4.701 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862452985 OMSCIRPHUMUKGP-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2cccc(Cl)c2)c1 1862560301 HAYFMAURIVUDDI-HXUWFJFHSA-N 438.936 4.805 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)(C)C)cc3)=C(O)C(=O)N2C2CC2)cc1OC 1862622558 LNCAARUUWGDSQN-QFIPXVFZSA-N 435.520 4.742 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)c(Cl)c1 1862634387 XRJONIFLWFGDMD-LJQANCHMSA-N 448.302 4.956 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCOC(C)C)c1 1862663823 UMPQLVYXGHVYMP-QHCPKHFHSA-N 437.536 4.822 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 1862737758 LFKNTXAPTZGJGI-IBGZPJMESA-N 444.846 4.908 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCc3ccccc3)C2=O)c1 1863402997 PZGBBYUYZFEWHN-UHFFFAOYSA-N 435.527 5.000 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCCc3ccccc3)C2=O)c1 1863408838 RHYHLOABDJXWHE-UHFFFAOYSA-N 435.527 5.000 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCCN(C)C)C1=O 1863642687 SFODSMZZVWZADK-UHFFFAOYSA-N 431.596 4.588 30 10 IJEE C=CCOc1cn(CCN(CC)CC)c(CSc2nc3ccccc3s2)cc1=O 1870245772 DJFUGGWCMPFHCO-UHFFFAOYSA-N 429.611 4.657 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CN(CCC)CCCC 1870723483 YXTPZKZCPHYKHF-UHFFFAOYSA-N 439.600 4.626 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CCCC)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666701 IMJYPSPIYGLQIC-UHFFFAOYSA-N 428.625 4.866 30 10 IJEE C=CCN(CC=C)c1nc(=Nc2cccc(Cl)c2Cl)nc(N(CC=C)CC=C)[nH]1 1871734571 ZIKKDVAZLIVTRZ-UHFFFAOYSA-N 431.371 4.701 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871759373 MNTKJBYDZKBOIB-OAQYLSRUSA-N 444.597 4.605 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1871907875 MOPSPDMUICQFHA-QHCPKHFHSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cccs1 1872527320 SYSOUBSIDGFIDN-FQEVSTJZSA-N 434.627 4.985 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1C 1872764928 BJGXLUGZBLTTCQ-MRXNPFEDSA-N 438.505 4.643 30 10 IJEE Cc1cc(C)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3cccs3)C2=O)c(C)c1 1873324308 JUPCIXNMNKXWEM-UHFFFAOYSA-N 427.529 4.937 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N(C)CCO)ncnc2n1CCCC 1873583681 FFZJMGURWCLDIA-UHFFFAOYSA-N 431.625 4.530 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)c(C)c1)n2CCC 1873612882 NFQFDJJSJFWLDE-UHFFFAOYSA-N 428.334 4.762 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(F)cc2)nnc1C(F)(F)F 1874459335 ILXLEFBBQMOARH-LIMNOBDPSA-N 430.814 4.970 30 10 IJEE CCCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874476925 ZQODGPVNUMVSGZ-ZMOGYAJESA-N 444.532 4.657 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(F)cc2F)cc1 1874511634 HWGHTZQWJOBRPI-BRJLIKDPSA-N 443.523 4.855 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2OC)c1 1875129339 WVSOVDPSMIUMFC-FMIVXFBMSA-N 432.472 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC(=O)[C@@H]1CCCO1 1875149070 WXVYTFHPQRVQLO-LNYGYFNRSA-N 438.520 4.982 30 10 IJEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 1890140800 BTOGILAHWXFPGU-UHFFFAOYSA-N 428.989 4.606 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)ccc21 1890517761 BZZWLCFGCFARRT-UHFFFAOYSA-N 432.442 4.824 30 10 IJEE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(CC#N)CC1 1963192242 WCBUGNRBAFZBII-HOYKHHGWSA-N 445.563 4.750 30 10 IJEE C#CCN(C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C1CCCC1 1984723631 AASIREXVIHUIGJ-SANMLTNESA-N 444.575 4.954 30 10 IJEE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C=NO)c2Br)C2(C)CC2)cc1O 2079952250 FULLLAKOMPRQIE-QGZVFWFLSA-N 434.334 4.609 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(Cl)cc1C 2082748310 HZBWWDDFOFGTLY-CQSZACIVSA-N 429.742 4.656 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2110497796 KTCHGCCRBLJWQE-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)c3cc(Br)c(Cl)s3)CC2)OC1(C)C 2115861179 HXPJEEAOHMCPJC-UHFFFAOYSA-N 446.603 4.958 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(OC)c(Br)cc1N 2137749370 JIXPQBUPMUEKGM-IBGZPJMESA-N 429.355 4.526 30 10 IJEE CN1C[C@@H]2[C@@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)C1 2152852437 CDNSGXHZUHXHIL-MRUHUIDDSA-N 434.378 4.815 30 10 IJEE N#Cc1cc(Br)ccc1N[C@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 2156352895 WBTJXYPDLBZEHI-HXUWFJFHSA-N 426.358 4.556 30 10 IJEE Cc1cc(Br)c(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)cc1Cl 2163723336 HLKAJFPJWMKAQL-VIKVFOODSA-N 440.574 4.575 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(C[C@H](O)c1cccc(Br)c1)C2 2169749410 AJULOUBXEKJYHU-BZSNNMDCSA-N 438.362 4.620 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(c2cccc(Br)c2C#N)C1 2174815330 RYMDFWVLQJIEDP-MAUKXSAKSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@@]12CCCC[C@H]1CN(c1cc(Br)cc(F)c1C#N)C2 2174823349 ZXFWVYMJRFMINC-RNODOKPDSA-N 438.341 4.734 30 10 IJEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190479808 WJGLHZPPWKHZBA-ZCLKUGBOSA-N 447.428 4.802 30 10 IJEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2219966093 ZRLRNPSKQBFQMP-NRFANRHFSA-N 440.462 4.532 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)C#Cc3ccccc3Br)CCC[C@H]21 2235721371 IIJNHWWXXHRKJN-ZHALLVOQSA-N 432.358 4.795 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@@H](O)C#Cc3ccccc3Br)CCCC[C@H]12 2235735585 UINLADWBDKWGOW-CNNODRBYSA-N 434.374 4.731 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2235746017 HGKHWWHCMDOZKX-UZLBHIALSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)[C@@H](O)C#CC1CCCCC1 2289781866 BCTHJWZAQRSWKS-UXHICEINSA-N 436.390 4.830 30 10 IJEE COC(=O)C1=C(Nc2cccc3ccccc23)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O 2294017393 JMCZQEODIDOTNT-UHFFFAOYSA-N 432.457 4.902 30 10 IJEE C=CCOc1ccc(C=C2C(=O)N(CCC3=CCCCC3)C(C)=C2C(=O)OC)cc1OC 2294037594 WLUQZBOBIBPIRB-UHFFFAOYSA-N 437.536 4.823 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 2296082464 FQBWXBMYQJLFMV-XLIONFOSSA-N 425.550 4.646 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)Cc1cccc(NC(=O)OC(C)(C)C)c1 2296215908 FPAQHZWARYDUKQ-IBGZPJMESA-N 429.358 4.978 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2296217915 ZBLXEVZWLFPGPP-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 2296218273 CHZGDAKRTWCRAQ-WOJBJXKFSA-N 435.406 4.720 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)C#Cc1ccc(Br)cc1 2296228463 ZGRSSEVDAIFRFK-RTBURBONSA-N 434.374 4.899 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296300629 KTEJLRWWIXVBIS-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE O=C(C[C@H]1SC(=NN=CC=Cc2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl 2297332226 LWTVXADIWHQWKN-MRXNPFEDSA-N 447.347 4.609 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 2306524077 TVGZGUCELCAUGY-PXDATVDWSA-N 430.589 4.801 30 10 IJEE COc1ccc(OC)c(C=CC(=O)c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1 2314429582 KIFHLGVAEJDUMQ-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CN[C@@H](C#CCSC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2314695588 WHSBOMGVBREIIZ-IGKIAQTJSA-N 447.600 4.832 30 10 IJEE CN(C)c1ccc(C=C2SC(=NN=Cc3ccccc3O)N(Cc3ccco3)C2=O)cc1 2314819018 QEYGCXXBPHYFLB-UHFFFAOYSA-N 446.532 4.558 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317347248 VCKSIVFILFPNSB-CPQFKCLQSA-N 432.370 4.654 30 10 IJEE C[C@H](COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2317350552 VCKSIVFILFPNSB-SJORKVTESA-N 432.370 4.654 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2c[nH]c3ccccc23)o1 2320845718 NWDZDELSLOQKAD-UHFFFAOYSA-N 435.509 4.581 30 10 IJEE N#Cc1ccc(OCc2ccc(C(=O)N3CCN(CC=Cc4ccccc4)CC3)cc2)cc1 2321416339 PSHBFGIOIYFBLC-UHFFFAOYSA-N 437.543 4.608 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(ccc3c2CN(CC(C)C)CO3)C1=O 2322071361 FVWMOIUYZKFMHM-UHFFFAOYSA-N 444.325 4.882 30 10 IJEE Cc1cc(OCCCc2nnc(S)n2N=Cc2ccc(N(C)C)cc2)cc(C)c1Cl 2322286346 PMNRNDADKKBMDZ-UHFFFAOYSA-N 444.004 4.797 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(Cl)c(Cl)c1)C3=O)CN(CCN(C)C)CO2 2322339291 BWZRQZTUXMCIIS-UHFFFAOYSA-N 433.335 4.632 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OC(=O)c4ccccc4F)cc(C)c3C2=O)cc1 2322798996 USSGNBNMUZDMTL-UHFFFAOYSA-N 432.403 4.756 30 10 IJEE CCCCc1ccc(C(=O)C=Cc2cc(Br)c(OCC(N)=O)c(OC)c2)cc1 2323553097 VKTODTNFGRNPNQ-UHFFFAOYSA-N 446.341 4.561 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Br)c(OCCO)c(OC)c2)cc1 2323933733 QJKGRRVTAJHJGC-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3cccc([N+](=O)[O-])c3)n2)cc1OC 2324366359 WIKILEKQEVVIID-KRWDZBQOSA-N 435.461 4.625 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1)OC(=Cc1ccc(Cl)cc1Cl)C2=O 2325649626 YLMDPWLYOYZQKY-UHFFFAOYSA-N 437.275 4.568 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccc(OC)cc1 2326058064 PPIHBHWYPXHSAZ-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1ccc(F)cc1F 2326772675 PGTMFNNQZWWLTI-UHFFFAOYSA-N 432.496 4.549 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cc(Cl)ccc1O 2328857505 FQQVZDSGHNYKMN-UHFFFAOYSA-N 428.945 4.993 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1OC(C)=O 2330889481 ATQXAFYOZROGQG-UHFFFAOYSA-N 434.242 4.577 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)c1 2331188490 JYRSGPUHTVIHLJ-UHFFFAOYSA-N 435.465 4.629 30 10 IJEE CCCCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1c(F)cccc1Cl 2331348949 DQDFQOFQMNCLQB-UHFFFAOYSA-N 426.945 4.587 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCC2)cc1OC 2331493109 WNVPEBYPLQBEHG-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc([N+](=O)[O-])c1OC(=O)CC 2331666486 ZSIGWDNCDUOGRV-UHFFFAOYSA-N 427.453 4.830 30 10 IJEE C[C@@H]1C[C@@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339542192 XUTZEDKKYFJOOB-MJGOQNOKSA-N 443.397 4.784 30 10 IJEE C[C@H](C=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 8217100 USFJGINJGUIFSY-SFQJQOGLSA-N 434.661 4.589 30 10 IJEE endogenous,in-man O=C(/N=C(\Nc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1)c1ccc(F)cc1 15729132 JTZYBDULNHZVFC-UHFFFAOYSA-N 426.511 4.523 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c1 33404951 REBJICASVCUIBW-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE CCC/C=N/Nc1nc(SCC(=O)Nc2ccc3nc(SCCC)sc3c2)n[nH]1 59311766 OLPSVFUTEDHZBH-UFWORHAWSA-N 449.631 4.845 30 10 IJEE CCCCCCCC(=O)NC(=S)Nc1cccc(NC(=O)COc2ccccc2)c1 100315872 WSHUJSRMBUTJJA-UHFFFAOYSA-N 427.570 4.878 30 10 IJEE COc1ccc(/C=C/C(=O)/N=C2\N=C/C(=N\Nc3cccc(C(F)(F)F)c3)S2)cc1 102231426 WVRPNILPSZXBGQ-GEEBMDKWSA-N 432.427 4.853 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)/C(=C\Nc3ccccc3F)S2(=O)=O)cc1 103133494 ISORXDVICZMRHP-XDHOZWIPSA-N 428.510 4.682 30 10 IJEE CCN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 105535527 WPVKZLDZVVHSAA-MRXNPFEDSA-N 440.327 4.795 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)s1 170095167 WZQNMIYMDVYPSI-LJQANCHMSA-N 438.505 4.923 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@@H]1c1ccccc1OC 170125154 GNHNIQNEWLUTKQ-IBGZPJMESA-N 444.325 4.754 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2C2CCCC2)c1 170218831 BWMCALSLUKIZOK-XMMPIXPASA-N 447.531 4.931 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1C(C)C 170229751 LRBDUJPERSKEEL-RDPSFJRHSA-N 449.547 4.966 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cn(C)c2ccccc12 170269487 IZYCOFHFRCTACE-HSZRJFAPSA-N 432.520 4.954 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)o2)cc1 170301277 PNRIHARCVVCFLA-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(N(C)C)cc2)c1 170363521 WEAAQCXVTZZOQB-DEOSSOPVSA-N 442.515 4.934 30 10 IJEE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)Nc3oc(C)c(C)c3C#N)cc2C1=O 170528059 GSBCWWFKTAOBGI-UHFFFAOYSA-N 441.487 4.946 30 10 IJEE Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccccc2C)c(C)c1 254475574 RXBGGWUJGBXGST-UHFFFAOYSA-N 438.509 4.767 30 10 IJEE N#Cc1cccc(CNc2cc(I)ccc2Br)c1F 311730695 OIJYKMPGRDTOIM-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE C=CCCc1ccccc1NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 410357032 ZHMNFWFSPGFVSD-UHFFFAOYSA-N 426.944 4.958 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 426340576 SOUVSJGVEUTACN-IUODEOHRSA-N 446.422 4.933 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 475554293 XPTKIOLNWANUFK-UHFFFAOYSA-N 441.597 4.645 30 10 IJEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CC=C(c4ccccc4Cl)CC3)n2)c1 511331223 DDHARZRCACYRKE-UHFFFAOYSA-N 448.935 4.590 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1OC 526824873 YJFPAXWRSNSRPT-CFRMEGHHSA-N 444.532 4.706 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OCc3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 549904010 FFXWJIUQHXGESI-QFIPXVFZSA-N 448.542 4.999 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc([C@H](C)OCC(C)C)no1 567126813 WZAFUCWPJWGPCH-INIZCTEOSA-N 444.967 4.928 30 10 IJEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 572649129 BDVQZUUHMZHQFO-GOSISDBHSA-N 436.478 4.707 30 10 IJEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)c1ncc(Br)cc1Br 712358128 PWTGHVWXDUGQRT-ZDUSSCGKSA-N 445.155 4.961 30 10 IJEE C=CCOc1ccccc1C=Nn1c(S)nnc1COc1c(Cl)cccc1Cl 730583492 HTHKQNAMUBDIHO-UHFFFAOYSA-N 435.336 4.900 30 10 IJEE CC[C@@H](Oc1ccccc1C(C)C)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 733548627 IBSDFXWFTQDNJK-DNVCBOLYSA-N 440.565 4.960 30 10 IJEE C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@H](C(=O)OC)c3ccccc32)c1=S 766363388 CBWDPASJEANXCQ-HXUWFJFHSA-N 434.565 4.700 30 10 IJEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 780076100 WCXNJSUWPGLXQF-IAGOWNOFSA-N 431.467 4.599 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 780776739 GPGRWSPPQDXJAP-CYFREDJKSA-N 437.565 4.550 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)SC1=Nc1ccsc1 790285682 SVOGUZHHCIVUFL-GOSISDBHSA-N 429.567 4.683 30 10 IJEE C#CCN(C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)C1CCCC1 810172324 JWQHOGIWNXYMGI-QGZVFWFLSA-N 441.963 4.763 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(F)cc1 812877723 FSGUFLGSCIWEQM-FQEVSTJZSA-N 434.433 4.566 30 10 IJEE CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccccc1 1084369082 FHHOYLTXAMBNJZ-UHFFFAOYSA-N 436.424 4.927 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2c(C(C)C)cccc2C(C)C)N([C@@H]2CC[C@@H](OC)C2)C1=O 1116748777 RUKSMJQVFKFIGP-HLIPFELVSA-N 445.629 4.569 30 10 IJEE C=CC[C@]1(c2nnc(COc3ccccc3OCC)o2)CCCN1C(=O)OC(C)(C)C 1117223232 ROWRYSZBVZPOPL-HSZRJFAPSA-N 429.517 4.850 30 10 IJEE C#CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CCCCC1 1124183058 XACUOPYQLNODRD-IHFIDZABSA-N 442.625 4.702 30 10 IJEE C=CCN(C(=O)c1ccc(-c2cccs2)nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1128002986 DYHGHLWLKHGYOC-JOCHJYFZSA-N 434.561 4.921 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)cc1 1134900739 JNOFCRJPLCAWMH-UHFFFAOYSA-N 438.936 4.789 30 10 IJEE CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)CNc1ccc(C#N)cn1 1136807743 CQBCTBUBPVUODR-UHFFFAOYSA-N 442.563 4.918 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)CCCN1C(=O)OC(C)(C)C 1138836039 WBZWMCAUSMZMHZ-DNRQZRRGSA-N 444.572 4.653 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1)C(=O)OC(C)(C)C 1146458370 HAVTZIGQHMNMNV-UHFFFAOYSA-N 431.492 4.836 30 10 IJEE C=C(C)[C@H](NCC(=O)N=c1cc[nH]n1Cc1ccc(C(C)C)cc1)c1ccc(F)c(F)c1 1169472093 FHSWQUJSRJNABB-VWLOTQADSA-N 438.522 4.600 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CCc2nc(-c3ccccc3)ncc2C1 1177617640 ZRXYYYGMOAYSIO-NRFANRHFSA-N 448.364 4.565 30 10 IJEE CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1187929286 APCPUROLBKYQGB-SFHVURJKSA-N 425.579 4.501 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H]4CC[C@@]43CNC(=O)OC(C)(C)C)cc21 1209773648 IAIQAWHNIJXDJW-HOYKHHGWSA-N 439.560 4.524 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NCc1cc(Br)ccc1Cl)C(C)C 1211223117 QOQSDQCACMVUGD-SFHVURJKSA-N 428.802 4.600 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1Br 1215269431 ADTOCLGQXKDWCP-CXAGYDPISA-N 434.359 4.698 30 10 IJEE C=CCC[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)c1ccccc1 1224274117 DKLOFGAAGGNLJA-IBGZPJMESA-N 430.346 4.784 30 10 IJEE CCCOc1ccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC 1264297972 AWSLODYOYBHHOB-UHFFFAOYSA-N 430.504 4.865 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 1264609407 QUQPPFXSHZHLLP-ZWKOTPCHSA-N 439.364 4.542 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[C@@H](OCC)C(C)C 1286283722 ZHBZLJBWJYKNHG-QFBILLFUSA-N 433.394 4.617 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1occc1C 1286423605 MWRISQPVLPJJLW-UHFFFAOYSA-N 440.503 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CC1(OCC)CCCC1 1286442006 YQHLIUYJEOQZMQ-UHFFFAOYSA-N 431.378 4.516 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCC1=CCCCC1 1286464293 ZKJONELQLINHHE-UHFFFAOYSA-N 443.389 4.684 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC#N)CC1 1286498973 MXEUDWBABUUVSH-UHFFFAOYSA-N 439.654 4.772 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](CC)C1 1286549076 DCCPWSILJWSQIY-XQFWAAQXSA-N 440.588 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1286559952 ZWDJCBAOVYBPHT-KPLVRAHFSA-N 445.007 4.507 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(C)CCCO2)CC1 1286655304 NABXALWUJLVVST-NRFANRHFSA-N 431.378 4.679 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CCCO)CC1)c1ccccc1 1286680690 ZKUCZZFXDBPMSE-ZEQRLZLVSA-N 438.616 4.869 30 10 IJEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286703680 QHDWXLCZZBXFKI-UHFFFAOYSA-N 432.616 4.759 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C 1286741458 MXQYTYKSBWJKEH-ZCYQVOJMSA-N 435.616 4.992 30 10 IJEE C=CCN(CC=C)c1nnc(C(=O)NC(CC)CC)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286751189 CEJPWHHUUQFICX-NVXWUHKLSA-N 427.515 4.669 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1Cc2cccc3c2[C@@H](CCC3)C1)C(C)C 1286752113 RCUHXULWLFBNIP-BJKOFHAPSA-N 433.644 4.979 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1286832682 XKTQKBUBPZRFIF-NRFANRHFSA-N 428.646 4.624 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1286834175 CCVOUGMDGSSGQG-LEWJYISDSA-N 426.630 4.835 30 10 IJEE C[C@@H]1C[C@@H](C)CN(CCCn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1291014384 CCBVKVLLLSGBDV-DHIUTWEWSA-N 448.659 4.561 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 1292324585 MXGMRZVSHWUSFN-UHFFFAOYSA-N 437.565 4.741 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC(CC)(CC)C2)ccc1Cl 1298449761 XQOGEJSVDJYHAF-UHFFFAOYSA-N 447.000 4.984 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCCC1CCOCC1 1300319266 ACHDTKWCANQBPQ-NRFANRHFSA-N 438.616 4.954 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCSC1 1300602041 NOUHLHFGNMBQAS-ZWKOTPCHSA-N 433.021 4.901 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1300612350 ZQZUYHRSXDDTDL-UHFFFAOYSA-N 431.471 4.681 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1Cl 1300778552 ZGMDDTULWRWKLC-UYAOXDASSA-N 447.048 4.853 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N(C)[C@@H](C)c1ccco1 1300893201 YDJAXJNTQBOYJA-ROKPMTFOSA-N 436.556 4.671 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1([S@@](C)=O)CCC1 1300900308 CIMAHCJJCDWQEH-WJOKGBTCSA-N 437.613 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([S@](C)=O)CC1 1300906907 UTFOHMHNDVEUOH-MHZLTWQESA-N 427.401 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@](C)(CC)O1 1300915343 NNTOQFIKJOSDSD-XZOYJPPVSA-N 426.561 4.541 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCOC2(CCCC2)C1 1301030231 HPYCRCZJERZNAG-UHFFFAOYSA-N 437.769 4.610 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 1301183111 REYQKGKVPFMNHH-HSZRJFAPSA-N 432.616 4.741 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ccccc2C#N)CC1 1301185939 OQLYQIPIPNWHGQ-UHFFFAOYSA-N 441.583 4.593 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCc2cccnc21 1301394683 QZSCKRBGBJLGRI-QFIPXVFZSA-N 429.568 4.571 30 10 IJEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(Br)cc1 1301604194 OUHNJWLETZMPON-UHFFFAOYSA-N 444.402 4.658 30 10 IJEE CS[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1302582995 IDPSZHGTGIDOGA-AUSIDOKSSA-N 438.576 4.713 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(F)(F)c2ccc(F)cc2F)cc1 1310196708 VAHXXJBKPFYLFL-UHFFFAOYSA-N 435.421 4.693 30 10 IJEE C#CC[C@@H](NC(=O)N[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)C1)c1ccccc1 1312322380 RBKQQIVNRIQQTC-NOTUOJBMSA-N 447.579 4.675 30 10 IJEE COc1cc(C#N)ccc1C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 1350687422 AJMWAWDNEFCETB-UHFFFAOYSA-N 428.517 4.753 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1Cl 1350941852 TWBJARQQXNZQFL-UHFFFAOYSA-N 438.952 4.636 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1csc(N2CCCCC2)n1 1357802648 AINDULJFPVBALJ-UHFFFAOYSA-N 438.366 4.863 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1358921943 OEQHQZUPRAVYGH-JKSUJKDBSA-N 436.423 4.560 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1359106431 DIZHHFDIHVZYRX-KESTWPANSA-N 434.519 4.586 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@H](C)C1 1359127852 CCNMZAAADLJVQV-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cn(CCCCC)nc2C)CC1 1359163282 XOGHIVALPGTPFB-UHFFFAOYSA-N 434.588 4.854 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2CCN(C)C(C)C)CC1 1359175418 KUGPJLZOYCHOGO-UHFFFAOYSA-N 438.439 4.512 30 10 IJEE C=CC[C@H](Cn1c(N2CCO[C@@H](COC(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1359195946 UWPMPRMFGAOEMK-FGZHOGPDSA-N 426.605 4.566 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1359209740 XVLVHYIEOFHDAL-MRXNPFEDSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)cc1F 1359263552 DTXGBBCQAUXNEB-LJQANCHMSA-N 426.561 4.922 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2cc(Cl)ccc2OC(F)F)C1 1359312585 XJAXIPCXOFJALG-YOEHRIQHSA-N 440.922 4.876 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)c1 1359863225 IHCIBJFNQDWEJS-UHFFFAOYSA-N 429.541 4.699 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc3c(Br)cccc3s2)c(OC)c1 1436172982 XRYARTDHENKTPD-UHFFFAOYSA-N 433.327 4.813 30 10 IJEE C=CCc1cc(C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)cc(OC)c1OC 1436380427 ROFHGCYWISZOKP-UHFFFAOYSA-N 440.487 4.927 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)C1 1437062154 UKQKFIDJXZTVCF-SFHVURJKSA-N 444.531 4.803 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)CC 1463631757 CLHIZSLRNSQDSW-AOMKIAJQSA-N 426.944 4.951 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1467532767 UHWGRPIJCBEMRD-KRWDZBQOSA-N 443.573 4.830 30 10 IJEE C#CCN(C(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1)C1CSC1 1469998342 UTLFVMLBGXFWSN-UHFFFAOYSA-N 449.601 4.682 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Br)ccc1Cl 1475720147 GBDZVZLYOJOKMB-GOSISDBHSA-N 438.774 4.804 30 10 IJEE CC(C)c1cc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)n(-c2ccccc2)n1 1476706184 HIOHLOLNIYQZHN-UHFFFAOYSA-N 428.540 4.658 30 10 IJEE C=CCCC(C)(C)NC(=O)N[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1479508860 RRUPRGLLNNEQPH-KBMIEXCESA-N 443.588 4.934 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC1(N(C)C)CCCCC1 1507772407 PAHCEYCGTQJGQQ-AREMUKBSSA-N 449.643 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccccc2OC)n1CC(CC)(CC)OC 1507773123 YBBBPEYQOQTWMX-HSZRJFAPSA-N 442.629 4.776 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCCN(C(C)(C)C)CC1 1507826964 LKUYHTGPXCQKSZ-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](CCC)C1 1507942029 LJSITRAWRYHOKV-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1C[C@@H](C)O[C@H](C)C1 1507999243 YPYBHECHHHPJRG-WOJBJXKFSA-N 447.583 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1oc2ccccc2c1C 1508005884 AREVJTIPADEINK-UHFFFAOYSA-N 449.580 4.773 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN1CCC 1508006116 JEDHDMNMWKZDKI-FYYLOGMGSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1Cc1nccs1 1508010650 BURPTKGAASGKBG-UHFFFAOYSA-N 441.557 4.755 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C2CCCC2)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C 1508014968 ZDUISZQECMVAPF-JAXLGGSGSA-N 431.694 4.965 30 10 IJEE C=CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCS[C@H](C(C)C)C1 1508159355 UBSUDVKFZAOPRK-NRFANRHFSA-N 439.654 4.990 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCC2CCOCC2)c2ccccc2n1 1510603611 BUQIODPWWLUCGV-GOSISDBHSA-N 432.572 4.604 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)c2c(C)noc2C)c1 1511201091 FJQQEAKXAHLFMF-BVZFJXPGSA-N 448.571 4.704 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3c(F)ccc(SCC4CC4)c3F)CC2)c1 1527043773 FELNMMXZHUXSMX-UHFFFAOYSA-N 441.547 4.733 30 10 IJEE C=CC[C@H](C(=O)NCc1cc(Cl)cc(I)c1)c1ccccc1 1529417795 JPOIQQUQBPMVAB-KRWDZBQOSA-N 425.697 4.921 30 10 IJEE C[C@@]1(CNC(=O)c2ccccc2Oc2ccccc2C#N)CCN(Cc2ccccc2)C1 1531002303 CENMAKRKAOSAJU-MHZLTWQESA-N 425.532 4.993 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)CCCN1C(=O)OC(C)(C)C 1531593380 UIJCYQGCWBUHRA-NLFFAJNJSA-N 445.579 4.565 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCOc3cc(Br)ccc32)o1 1531617411 CPNAISZETKPGHN-UHFFFAOYSA-N 439.265 4.532 30 10 IJEE Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1532902919 FIPOWIUMWISCBX-UHFFFAOYSA-N 431.496 4.960 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC(Cc2nc(C(=O)OCC)cs2)CC1)c1ccccc1 1533771955 ILERAAXNDDVNFF-HXUWFJFHSA-N 426.582 4.851 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2coc(/C=C/C(=O)OC(C)(C)C)c2)cc1 1537825339 JGOJBLRRGPTKSR-OUKQBFOZSA-N 425.481 4.896 30 10 IJEE C=CC[C@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)c1ccccc1 1538504501 SBMASNMHEXHUSY-FQEVSTJZSA-N 431.349 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC=CO1 1538970568 CKMJSBMQCZLTCJ-NSHGMRRFSA-N 428.964 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCCCC1 1538972558 KLSDOHFHOPISGE-RBUKOAKNSA-N 444.023 4.794 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C(C)(C)C)cs1 1539249932 FZMQGMGWJYGXON-UHFFFAOYSA-N 441.963 4.613 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1539332471 RXIGTTAVNPNOLR-NOZRDPDXSA-N 444.604 4.561 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC(CC)CC1 1539530066 BADYHCPECUQWLK-UHFFFAOYSA-N 430.643 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CCCOC(F)(F)F 1539547177 UMTWVOLHZWZHEY-LJQANCHMSA-N 442.869 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCN(C(C)C)C1 1539676907 XZBBGHDQVBYYFD-JOCHJYFZSA-N 425.621 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1540065665 HTHFHCYPGUWPEW-NHCUHLMSSA-N 447.631 4.510 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1Cc1c(C)cc(C)cc1C 1540185382 PDXVTSXMACSIKD-UHFFFAOYSA-N 428.540 4.537 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1csc(CC)n1 1540191259 IOOOCUQKJAXUCQ-UHFFFAOYSA-N 439.629 4.949 30 10 IJEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 1556227544 PJPIHQOULAEVRW-UHFFFAOYSA-N 443.916 4.814 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(C)c(Br)cc1F)c1ccc(F)c(F)c1 1561487828 SLMARBYTSPBOAQ-QGZVFWFLSA-N 434.277 4.771 30 10 IJEE C=CCC[C@H](CO)NC(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C 1562268762 OOIBENRMAHXMAH-GOSISDBHSA-N 435.446 4.715 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](CO)Cc2ccc(C)c(C)c2)cc1 1562304238 GGAYLZUDOHPXAZ-QFIPXVFZSA-N 445.519 4.701 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(I)cc2)c1 1562370569 ISQUGPVSSHVIQH-LJQANCHMSA-N 446.288 4.672 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1562441722 LZUKOQVMBVTXKQ-JOCHJYFZSA-N 446.457 4.890 30 10 IJEE C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CN[C@@H](C)C(=O)OC 1565535349 DCXYEWBJSCNEGI-NXYSIAPSSA-N 445.600 4.815 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c1 1583274972 RYZSTQLOVLQFBH-UHFFFAOYSA-N 444.459 4.583 30 10 IJEE COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 1583778922 ACFVMGZAINNXMA-HHHXNRCGSA-N 440.499 4.616 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1OC 1587153333 YGIQVKNPJFDLKL-JVCIDUABSA-N 446.591 4.692 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nccs1 1587561627 FWEJXSCXKVFURW-HOTGVXAUSA-N 429.977 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)C1CC1 1587677302 FGMMENWETGMFQO-MJGOQNOKSA-N 429.609 4.634 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)c1c(C)noc1C 1588280120 GPECKGZTYGTOLD-HOTGVXAUSA-N 437.613 4.999 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCOC(C)(C)C 1589150972 OODDCIIGYVYBAY-KBMIEXCESA-N 440.588 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N(CC)CC)nc1 1589164071 PBEVWEUYJXXWPK-RUZDIDTESA-N 449.002 4.880 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C(CC)CC)N(C)C 1589197630 HNCCWAKSNWJFKP-SHQCIBLASA-N 446.643 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCCOC1CCCC1 1589242947 QEOXRIKYSPFKMN-XMMPIXPASA-N 442.991 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1589609166 UTLYFVQFVGJYAR-WIYYLYMNSA-N 448.409 4.643 30 10 IJEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1593757646 KZPWPUBOFPQOBZ-UHFFFAOYSA-N 429.996 4.558 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2CCC(OC)CC2)CC1 1594127889 JNEUWTKSQBGUBR-UHFFFAOYSA-N 428.552 4.748 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCC2CC(OCC)C2)CC1 1594437034 HVIQRSUERSZOOS-UHFFFAOYSA-N 428.552 4.604 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1594687213 IUTKZSGRGOCCOB-IBGZPJMESA-N 441.377 4.749 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCc1sc(C)nc1C 1595141389 HLJNQGDVRZFAQN-HXUWFJFHSA-N 441.576 4.777 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CCc1n[nH]c(C)n1 1595149729 UOXWEFIPLOCJEO-UHFFFAOYSA-N 439.976 4.522 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1595170865 LIGPFBXWJRPBQZ-BWKNWUBXSA-N 426.653 4.695 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)C1CCCCC1 1595200396 BJKLMRWMZIVJLL-AREMUKBSSA-N 446.599 4.641 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1595434792 SITHROIKKPAMTE-HXUWFJFHSA-N 433.556 4.528 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1606951601 HTWUACLYGUOSJK-SFHVURJKSA-N 434.629 4.597 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 1615332208 JPLLQVKSRPPGKL-SFHVURJKSA-N 444.560 4.887 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCCCC2)ccc1OC(C)C 1619071688 IELYIBAUNOZEGE-SFHVURJKSA-N 425.577 4.917 30 10 IJEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2nccs2)CCCCC1 1619646019 BRHJKZJKTLQMLP-UHFFFAOYSA-N 436.585 4.507 30 10 IJEE Cc1c(S(=O)(=O)N[C@H]2CCCOc3cc(Cl)ccc32)sc2ccc(C#N)cc12 1621962834 CUBJOGYLBPAFSH-KRWDZBQOSA-N 432.954 4.927 30 10 IJEE C#CCN(C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1)[C@@H]1CCCc2ccccc21 1623074840 NPWGLWVFWFJQMM-HSZRJFAPSA-N 442.519 4.594 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](Cc2ccc(OC)cc2)C1 1624666293 DBLHBUNJZYPYCL-NRFANRHFSA-N 431.536 4.541 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 1624805024 HFBADGJLQSKZSC-UHFFFAOYSA-N 434.414 4.880 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 1627379288 PRZHZWLFAMPIRB-KSSFIOAISA-N 445.560 4.742 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1)c1ccc(Br)cc1 1628707051 GVZCGBNGPALLPI-KXBFYZLASA-N 445.357 4.980 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccc(F)c(F)c1 1634435845 SESMNVWKAMRLES-UKILVPOCSA-N 425.523 4.890 30 10 IJEE C#CCN(C(=O)Cc1csc2sc(CC)cc12)C1CCN(C(=O)OC(C)(C)C)CC1 1634818207 NWEVULOWFSZYSW-UHFFFAOYSA-N 446.638 4.929 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C)c1ccc(Cl)cc1F 1636313304 WRZFBXBPAGKEJZ-PMACEKPBSA-N 430.907 4.844 30 10 IJEE C#C[C@@H](NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O)c1ccc(Br)cc1 1651048616 LXBYKDPXJJXVEV-GOSISDBHSA-N 443.728 4.542 30 10 IJEE C#CCN(Cc1noc(C2CCCCC2)n1)[C@@H]1CCOc2ccc(Br)cc21 1652515045 HNLKAGHRMFJETQ-GOSISDBHSA-N 430.346 4.839 30 10 IJEE C#Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(OCC)c(OC)c2)Cc2ccccc2)c1 1652883936 XPKNIKQZCWDQNV-OAQYLSRUSA-N 442.559 4.959 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccccc1SC 1653969261 OXKNUXXLQDXMTE-UHFFFAOYSA-N 430.364 4.687 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccc(Br)cc1 1661201260 XBLJKCSSNGSSPV-OAHLLOKOSA-N 438.203 4.715 30 10 IJEE C[C@@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 1661471441 GPWJJZFTIDDJHB-LBPRGKRZSA-N 439.762 4.888 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)cc(OC)c1OC 1667711180 KHIUISTUEXIBTP-HXUWFJFHSA-N 430.495 4.627 30 10 IJEE COc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)ccc1OCCO 1669147605 FOQZBKACNZLSSS-QGZVFWFLSA-N 447.491 4.613 30 10 IJEE C=CCCC[C@@H](C)NC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1669244889 LNLKXRJORZAWQT-MRXNPFEDSA-N 433.618 4.602 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1ccccc1OC(F)F 1670846061 YVAOERVODFGTFZ-UHFFFAOYSA-N 441.272 4.980 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1673380605 CWROBWMPSGDMMK-JOCHJYFZSA-N 438.936 4.636 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 1686762524 UXLBGYQEQVBMKJ-OALUTQOASA-N 429.362 4.663 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1689881390 OWZHAVORQBSHCY-SFHVURJKSA-N 437.975 4.960 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1689938322 HZFZHIICYGVZDJ-VQIMIIECSA-N 431.378 4.658 30 10 IJEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1690072890 YEYQNQQEKVLOPZ-UHFFFAOYSA-N 446.599 4.522 30 10 IJEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCC[C@H]2CC)CC1 1690111769 JQCMZSUJNSGUPQ-VXNXHJTFSA-N 449.643 4.616 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1690410290 GWDSTUJMLYCZCN-FQEVSTJZSA-N 443.636 4.985 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1690503130 RBWSSYMTTXVGCU-OAQYLSRUSA-N 430.543 4.972 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1CCN(CC)CC1 1690519481 LAFGRDQHIRJKQD-UHFFFAOYSA-N 446.437 4.760 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1690594721 DTEIUGNBYHROPV-DQEYMECFSA-N 449.643 4.653 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCC1(F)F 1690607514 OFKRPKCMMXAXFX-SFHVURJKSA-N 429.515 4.937 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)F)C2)cc1 1690679846 AYCMDKSAHMUOBK-QUCCMNQESA-N 432.515 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCN1CCCC 1705490799 QSFVVUZKZYGSOJ-IRLDBZIGSA-N 446.599 4.713 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C(C)C 1705514615 CMYAYFNIHXZJLB-QFIPXVFZSA-N 446.599 4.664 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)(F)F)C1 1705518466 QTVBNUVNZQYBCM-OAHLLOKOSA-N 426.433 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(Sc2ccccc2)CC1 1705593942 ZABKJOZSMNYIKQ-UHFFFAOYSA-N 447.995 4.781 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705663858 FJLPAYAVTMJUIW-FGZHOGPDSA-N 438.641 4.857 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCC(C)(C)O 1705669163 FGJIGCVCGMJXTO-XMMPIXPASA-N 435.597 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC[C@@H](C)N(C)Cc1ccccc1 1705676177 QMLDZWUFTCNDOF-QFQXNSOFSA-N 447.652 4.833 30 10 IJEE C=C(Br)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C1CC1 1705683787 DJDQBTORPHWRKB-UHFFFAOYSA-N 429.318 4.624 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1705704175 ZJBWNSKTCJJOMK-RCZVLFRGSA-N 436.600 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CCCNC(=O)c1occc1C 1705712558 YOFBFSMOGSTRHN-UHFFFAOYSA-N 441.963 4.722 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCCc2sccc2C1 1705739962 XKBLCDNWLHIHAR-UHFFFAOYSA-N 442.560 4.603 30 10 IJEE C=C(Cl)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705752091 IEHGNOVOSNZEGM-QGZVFWFLSA-N 427.980 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705794545 MAEFKWHOFYMCJH-FCHUYYIVSA-N 437.632 4.749 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCCCO1)c1ccccc1 1705798220 NAIYXDKCSJHLQB-RPWUZVMVSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1CC 1705817212 FFYFJGIDFLLIDF-VAMGGRTRSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC[C@H]1C 1705861736 NHDPLKBJFFYKOD-ISKFKSNPSA-N 437.632 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCO[C@H]1C(C)C 1705879250 RXDYCQUAWVQENZ-VWNXMTODSA-N 445.567 4.706 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1705882596 CVMHYWXRMCTITB-OYRHEFFESA-N 439.648 4.649 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCc2ccc(Cl)s2)C1 1705918844 RDBVCPKWPRMANM-QGZVFWFLSA-N 428.989 4.992 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(F)cn2)C1 1705919972 NPGUNDNLWJACJP-QFIPXVFZSA-N 435.547 4.606 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722311203 SRUDEJOYQDGVQS-DEOSSOPVSA-N 449.643 4.707 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722328921 YHIQVILTCORSKW-LBPRGKRZSA-N 447.324 4.961 30 10 IJEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC1CCC(C(F)(F)F)CC1 1722357315 YHIMAJVLJUNZJM-UHFFFAOYSA-N 429.490 4.719 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCSC[C@@H]1C 1722464989 CJSTZMLOJFYUKE-IBGZPJMESA-N 444.670 4.597 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722524357 FFIJPUYNYNFMTP-OAQYLSRUSA-N 439.604 4.589 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1722591852 NNXVCXLQCBMSPY-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1 1722655675 PPLABAQMIVHEKC-BKMJKUGQSA-N 442.567 4.752 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCOc1ncccc1Cl 1722662987 QPZPAIZWFBKJNP-UHFFFAOYSA-N 440.960 4.655 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1722669999 UXYXSFNFQUJSLG-LJQANCHMSA-N 440.592 4.631 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)F 1722674191 OXERANCBKZJGPH-IAGOWNOFSA-N 426.483 4.587 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)C[C@@H](C)CC 1722695537 GUSOCTBRODZGDJ-INIZCTEOSA-N 441.576 4.597 30 10 IJEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722735944 SZTYMBUBPPTAHT-NRFANRHFSA-N 436.629 4.828 30 10 IJEE CC(C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H](C)CC#N)c1cccnc1 1723123471 DHRLROXHPBBWDD-XMSQKQJNSA-N 436.535 4.569 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCC[C@@H]1C 1723532729 HYEWTAMEYOSIFJ-MHECFPHRSA-N 435.597 4.844 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)c(C)o1 1724156615 CBYDVBQZFXVJSQ-WGDIFIGCSA-N 447.583 4.807 30 10 IJEE CCOc1ncccc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N 1728909450 GWJZBGUFLCZKME-CQSZACIVSA-N 445.354 4.832 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](C)N1CCC(C)CC1 1740600858 SNZYEQSRGZYPEP-LJQANCHMSA-N 448.640 4.567 30 10 IJEE C#CCSCCn1c(-c2cccnc2)nnc1N(Cc1ccco1)Cc1cccs1 1740715030 QXONUTBDIYBMHD-UHFFFAOYSA-N 435.578 4.568 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C1CCC1 1740752975 DLOCFIMMMGCITF-PXNSSMCTSA-N 445.405 4.986 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(F)(F)F)CC1 1740763564 MRCYPYRPIDQGLV-QFBILLFUSA-N 440.535 4.690 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740780483 XDKWAVYSPWSZFG-LPHOPBHVSA-N 442.560 4.629 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740780486 XDKWAVYSPWSZFG-QFBILLFUSA-N 442.560 4.629 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H](C)c2ccccc2)CC1 1740827890 NYXGTZRZWPKLCF-LJQANCHMSA-N 435.597 4.620 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1740836417 KERCEKBZJCJBBP-GCJKJVERSA-N 442.991 4.991 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1740842353 WIRHGCXTACCZAA-YKSBVNFPSA-N 442.579 4.850 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1740859388 KUWGPJPVAOCQPI-ROUUACIJSA-N 428.577 4.810 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OC(C)(C)C)CC1 1740969302 MNOKFCDISOGGQA-UHFFFAOYSA-N 435.572 4.670 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1741001321 RESNJVJHJLVLQJ-UHFFFAOYSA-N 439.673 4.956 30 10 IJEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1741002308 KRHLWVVPGQZECB-NHCUHLMSSA-N 444.620 4.570 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC[C@H]1C 1748882578 XPDJSUIUTCRPJA-SJORKVTESA-N 443.364 4.746 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C2CC2)C1 1749023484 SPEFDIKODJFWBE-WMZOPIPTSA-N 431.005 4.674 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCc1cccs1 1749124894 QXLDBGWGRUQVCF-JTHBVZDNSA-N 447.608 4.928 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(C)C)C1 1749235175 OOXZUCQNWZVVKS-JOCHJYFZSA-N 426.605 4.939 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1749266583 JEWWVYNWEFRUDA-FQEVSTJZSA-N 448.970 4.962 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CCOCC2)CC1 1749287965 IOUMHQVCHVAMLI-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749392821 AFKFSJNKVSSKPN-DOTOQJQBSA-N 439.387 4.848 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(c2ccsc2)CC1 1749762150 QRIFRHCKZQSVKL-UHFFFAOYSA-N 425.627 4.629 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(F)cn1 1760101435 PSGUQHIHJUHHEP-CYBMUJFWSA-N 425.920 4.854 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCO[C@H]1C(=C)C 1760227439 FHQHUCRBHWRDLE-DHLKQENFSA-N 443.595 4.793 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1ncc(CC)s1 1760229402 PRSFQTIUANLZDG-UHFFFAOYSA-N 447.564 4.644 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C)C1 1760285690 OKASCUMYOZIVIK-LJQANCHMSA-N 426.630 4.757 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](SCC)C1 1760352286 VBOGFTSJDJSWTE-FQEVSTJZSA-N 445.589 4.558 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCCC2(CC2)C1 1760353309 NJMXIOCOCJFHCJ-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760370121 HXCVXYGCHGLJJS-QGZVFWFLSA-N 447.768 4.535 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCc2nccs2)CC1 1760382167 KMFYWQYDEVEHML-INIZCTEOSA-N 429.977 4.927 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1)c1ccccc1 1760419746 BJCHCGZCKVHODV-GMAHTHKFSA-N 448.615 4.538 30 10 IJEE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](OC)C1 1760446740 BCPUXWWYDNFPCT-QHCPKHFHSA-N 449.599 4.561 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1760455047 ZDYVLMUAGKFPHI-SFHVURJKSA-N 433.984 4.770 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1Cc1c(C)coc1C 1760478073 UBIGZTLXBZHRHZ-QHCPKHFHSA-N 436.556 4.979 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1760486521 QPOBCWFSAQVBMT-LJQANCHMSA-N 445.633 4.959 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)C2CCCCC2)C1 1760538139 WKNCSOQJYUIUPG-QPPBQGQZSA-N 445.007 4.711 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(OC(C)C)nc1 1762063893 DNRMSEGLBLZOHK-RUZDIDTESA-N 430.556 4.614 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCC2)CCCC1 1769595808 FESWCGWLMBTCRC-UHFFFAOYSA-N 437.588 4.706 30 10 IJEE Cc1ccc2oc(=O)c(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4cccc(C)c4n3)cc2c1 1859749985 DVPUQJZFYVEDIT-UHFFFAOYSA-N 449.470 4.576 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862430657 OWHGTHXYEMBOQY-HXUWFJFHSA-N 439.920 4.928 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)cc1 1862548396 RFHZBSPFSXZKKM-DEOSSOPVSA-N 449.547 4.579 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(OC)c1 1862638352 ZLOCSXQHXLDXER-NRFANRHFSA-N 427.472 4.611 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2C)cc1 1862675002 ZONJWANYZUVLTG-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 1862746847 FFSOOFZBQCIVDL-OPAMFIHVSA-N 428.444 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 1862749090 QFVFEIHYNBMFKU-NRFANRHFSA-N 432.407 4.512 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(CC)cc2Br)=C(c2ccc(F)cc2)C1=O 1863150589 VRLSTZYDCHPIHT-UHFFFAOYSA-N 429.289 4.529 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(CCCc3ccccc3)C2=O)c1 1863299788 VZDWOXYYAMVVHF-UHFFFAOYSA-N 425.463 4.522 30 10 IJEE CCCC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867322127 XRFLLHQSURSFTR-VQTJNVASSA-N 432.351 4.972 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCCC)NC(=O)CCc1csc(-c2ccccc2)n1 1868906513 RWNKXKOJHQDBEJ-OAQYLSRUSA-N 425.598 4.618 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(CCCc3cccc(F)c3)CC2)nc(CCC)n1 1869215649 LWZHTIYXUGLOJA-UHFFFAOYSA-N 437.607 4.501 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2ccccc2CC)cc1=O 1870810166 PDAZRUCINIVRMH-UHFFFAOYSA-N 448.563 4.848 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C3CCC3)ccc2C1=O 1871362503 IKSQXVSVUFJZEJ-GRSHGNNSSA-N 429.266 4.779 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C)cc2)[nH]c(N(CCO)CCCC)n1 1871476637 YVLRIMZSMDLGPB-UHFFFAOYSA-N 428.625 4.717 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(C)C)S(=O)(=O)CCCC 1871807179 NUOKFARKPSWIMB-SFHVURJKSA-N 434.524 4.677 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871852327 IFTXGZZTWHIORW-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)c(C)c1 1872786714 QHVWEWMKHPPNEW-LEWJYISDSA-N 443.572 4.960 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3Cl)n2)c(OC)c1OC 1872788437 IEFMZAKVIWHJGN-CQSZACIVSA-N 428.897 4.979 30 10 IJEE CCOc1cc(/C=N/n2c(CCc3cccc4ccccc34)nnc2SC)ccc1O 1874233707 XIPFEUFQBSIWRQ-PCLIKHOPSA-N 432.549 4.925 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc(Cl)c1OC(=O)COCCOC 1875174770 HOZUOGNFJJPBOH-VQHVLOKHSA-N 446.927 4.820 30 10 IJEE C#CC[C@H](C(=O)Nc1c(Br)cc(Br)cc1Br)C1CC1 1887265373 UFIUDUCIAYESAA-JTQLQIEISA-N 449.968 4.962 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(O)c1cccc(NC(=O)OC(C)(C)C)c1 1922078363 WDYHAILRSPGBPO-JYFHCDHNSA-N 440.584 4.992 30 10 IJEE C[C@H](NCCN(OCc1ccccc1)C(=O)OC(C)(C)C)c1ccc(OCC#N)cc1 1941539844 XDPQUGJKZUWATM-IBGZPJMESA-N 425.529 4.608 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2cc(Cl)c(C#N)cc2F)C1 1983677394 SOLMGKHBLPFYSE-UHFFFAOYSA-N 431.895 4.908 30 10 IJEE N#Cc1ccc(Br)cc1N[C@@H](CNC(=O)OCc1ccccc1)C(F)(F)F 1998965074 XCKKYHCYSKHBCU-INIZCTEOSA-N 442.235 4.590 30 10 IJEE C[C@H]1CC[C@@]2(CSC(=NCC3(N(Cc4ccccc4)Cc4ccccc4)COC3)N2)C1 2018689297 WKRDITHJBXTTEZ-OFVILXPXSA-N 435.637 4.709 30 10 IJEE CCCCC#CC[C@@H](NCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024378267 HGVRHAZRZSKRGP-BVAGGSTKSA-N 427.633 4.718 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Br)c1OCC 2040456718 DWIFXRHBONMVFX-UHFFFAOYSA-N 433.298 4.914 30 10 IJEE CC[C@@H](c1ccc(C)c(F)c1)n1nc(C(F)(F)F)c(C#N)c1I 2078999782 VLYDKXDCBXQZQO-LBPRGKRZSA-N 437.178 4.825 30 10 IJEE O=C(O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cccc(C(F)(F)F)c3F)nc12 2081332635 MJYGBVCMHOBUMB-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CO[C@@H](C(F)(F)F)C1 2129096423 IKGZGHRIBVQFBG-CJNGLKHVSA-N 435.240 4.804 30 10 IJEE C=CCN(CC[C@@H](Cc1cc(OC)ccc1Br)NCC)C(=O)OC(C)(C)C 2155517909 ZPSXWZHPJZXJRX-KRWDZBQOSA-N 441.410 4.792 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCN(c3cc(Br)cc(F)c3C#N)CC[C@H]2C1 2174809953 GMLZBVYCFPNDFZ-OKILXGFUSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181143755 LRICSMFCJAJBEN-ZBFHGGJFSA-N 436.350 4.590 30 10 IJEE N#C[C@H](C(=O)c1cccc(I)c1)c1ccc(F)cc1Br 2185185740 FKZISOJLIZCHPE-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2CCCC2)c1 2281831421 CEJRAJJFAHDWBR-UHFFFAOYSA-N 449.400 4.827 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(CCC)n2)CCCN1C(=O)OC(C)(C)C 2287852061 HRULQTMQIBJKRO-HXUWFJFHSA-N 440.382 4.916 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(F)cc3)ccc2O1 2296136024 NQRSFWNHGCQANF-UPCLLVRISA-N 443.474 4.771 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 2296216516 LMOFUJOVZZSQIB-QWFCFKBJSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](O)(C#Cc2ccc(Br)cc2)C12CCCC2 2296282468 XFYAHSJJYIPQIC-QFIPXVFZSA-N 434.374 4.875 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2296310435 JQRLEBNZGYRNIF-RLLQIKCJSA-N 435.406 4.862 30 10 IJEE Cc1c(Cl)cccc1N=C1NC(=O)C(=Cc2ccc(OCC(=O)O)c(Cl)c2)S1 2297617218 HDKYTPVEWNFDJK-UHFFFAOYSA-N 437.304 4.657 30 10 IJEE Cc1cc(C)cc(N=C2NC(=O)C(=Cc3ccc(I)cc3)S2)c1 2313510262 GGBDAUXYGCFPLT-UHFFFAOYSA-N 434.302 4.800 30 10 IJEE C=CCN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=Nc1ccncc1Cl 2314543024 TWQYVLQCQVBTHN-UHFFFAOYSA-N 426.885 4.989 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)ccc1O 2320858357 ZYZJKGCRSZKBBV-UHFFFAOYSA-N 429.889 4.597 30 10 IJEE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C=CC(=O)c1cccc(OC)c1 2320940785 BTEHUGDTEBNKGQ-UHFFFAOYSA-N 435.501 4.978 30 10 IJEE Cc1ccccc1CSc1nnc(C)n1N=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2321762188 BWQNYADONVCJTJ-UHFFFAOYSA-N 439.928 4.902 30 10 IJEE CCCOc1c(OC)cc(C=Nn2c(S)nnc2-c2ccccc2Cl)cc1OC 2321990928 CAQLBQFRJKNBTC-UHFFFAOYSA-N 432.933 4.575 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)cc1OC 2323374973 GSVQIRCSSBZAQV-UHFFFAOYSA-N 434.419 4.607 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2cc(Cl)c(OCCCO)c(OC)c2)cc1Cl 2324422009 WPBRYJDOLGFZQU-UHFFFAOYSA-N 441.307 4.677 30 10 IJEE Cc1cc(OCCOc2ccccc2F)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2324857891 ZTRFVNRGBLAXAB-UHFFFAOYSA-N 434.419 4.937 30 10 IJEE COc1cc(NC(=O)C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)cc(OC)c1 2325652751 JUEGTRSBOCRNOL-UHFFFAOYSA-N 447.487 4.512 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)c(Cl)c1O 2326567855 WJCXGPIFMHRYBO-UHFFFAOYSA-N 441.315 4.921 30 10 IJEE CCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccc(OC)c(Br)c1 2326730022 HTCRIRQUHPLGCO-UHFFFAOYSA-N 449.349 4.925 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(C(C)C)cc1 2331225212 UMIKQLHYZQHKOT-UHFFFAOYSA-N 426.542 4.835 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1ccc(F)cc1 2331665426 YIQVLDSLJBUMJQ-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OC)nnc2C(C)C)cc1OCC 2331704553 BBZFEGOVJBRJNR-UHFFFAOYSA-N 448.589 4.517 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(N(C)C)cc3)cc2)c(OC)c1 2331717027 FVYDPVVKGIDCIS-UHFFFAOYSA-N 431.488 4.885 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339583657 YBGTVLCBDIHCQA-YSSXYYCGSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@H](O)C#Cc3ccc(Br)cc3)C[C@@H]21 2360194407 MXNMSVQDQVGEJL-KVPLUYHFSA-N 434.374 4.587 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2360195159 YQJXPFYEHQKEKN-FHWLQOOXSA-N 435.406 4.718 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(CC)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 21578010 STQGGWIYIVOAJT-INIZCTEOSA-N 441.622 4.968 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C)c(F)c2)Nc2ccc(C)cc2C)c1C 32972184 STAOAUIHVZQWPE-UHFFFAOYSA-N 435.547 4.982 30 10 IJEE C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C 36301583 XPJGRHXRRLTYEJ-QFIPXVFZSA-N 435.568 4.653 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)c4ccc(OC)c(OC)c4)c3C)C2=O)cc1 41289453 PRRGSYLHQPTZRK-QRVIBDJDSA-N 446.455 4.856 30 10 IJEE C=CCn1c(SCC(=O)C2C3CC4CC(C3)CC2C4)nnc1-c1ccc([N+](=O)[O-])cc1 59791760 AFJYRUPEBMSVKF-UHFFFAOYSA-N 438.553 4.773 30 10 IJEE C=CCOc1ccc(NC(=O)CNc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 66096789 BDXCIBNMICGULB-IBGZPJMESA-N 429.520 4.793 30 10 IJEE COc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCCC2)cc1 89439214 LQPXMKBUFDHPPQ-FXFSXJFASA-N 441.528 4.737 30 10 IJEE CCN(CC)CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 103105868 PZXHRQKXKSZXBQ-MYXKAAJQSA-N 434.580 4.964 30 10 IJEE C=CCn1c(-c2sc(NC(=O)c3cc4cc(C)ccc4nc3C)nc2C)n[nH]c1=S 111200784 MABSWYXEEHQEFR-UHFFFAOYSA-N 436.566 4.976 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)c(F)c2)c1 169968559 AOVCOFCONQEJSG-HSZRJFAPSA-N 447.437 4.991 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(C=C(B3OC(C)(C)C(C)(C)O3)c3ccccc3O2)CC1 170023242 HGFULWJJTHSPRL-UHFFFAOYSA-N 427.350 4.864 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCOC)cc1 170034410 KDRWDPGCQNLTCA-NRFANRHFSA-N 443.927 4.744 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccccc2)cc1 170054478 OXFWRUKJNLBQOV-QHCPKHFHSA-N 431.463 4.921 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 170068765 NGEGTWIBMIMFJE-LJQANCHMSA-N 434.319 4.781 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(C)c1 170144576 PAFQDHZLSJGWHD-QHCPKHFHSA-N 442.515 4.794 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccc(C)o1 170304542 XAORMHAOVMSSPG-JOCHJYFZSA-N 433.460 4.702 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C)o2)c(OC)cc1Cl 170310818 QXKHQMGXYSSBBE-FQEVSTJZSA-N 445.899 4.780 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2sccc2C)cc1OC 170314856 VPNGANHIBOMMPO-HXUWFJFHSA-N 435.501 4.857 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccncc1)c1ccccc1 170356723 NZDABVYEIJWXEU-LJQANCHMSA-N 440.377 4.763 30 10 IJEE CC(C)OC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)cc1 170372531 ZZMGIENGQBWXRB-NRFANRHFSA-N 431.444 4.628 30 10 IJEE COc1cc(/C=C\C(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)ccc1OCC#N 207538251 ZPQRCJHVOIAVIG-WMZJFQQLSA-N 437.496 4.748 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2cccc(F)c2)/C1=C(O)\C=C/c1ccccc1 254412439 VUAKDQORFMJGKF-WOSHCFHPSA-N 443.430 4.706 30 10 IJEE COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NN=Cc3cccnc3)n2)cc1OC 254513723 NAQFQEFSTWEVRS-UHFFFAOYSA-N 425.492 4.977 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)cc(Br)c1)NCCC 407833961 WTYDZFYFKKIBKE-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ncc(Br)s1 432533936 AYYNUYPKQYTVCF-UHFFFAOYSA-N 437.388 4.863 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1Sc1nn2cc(C3CCCC3)nc2s1 436433157 VQXLPRDQICQHOH-UHFFFAOYSA-N 438.582 4.956 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)CC1 443335492 PDKDYWNMTWJCBA-UHFFFAOYSA-N 427.957 4.876 30 10 IJEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)CC1 443335810 UGNZHWZRPPVQEQ-UHFFFAOYSA-N 427.957 4.876 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 475561310 LUTOGUWOJJHRDH-UHFFFAOYSA-N 429.586 4.547 30 10 IJEE N#Cc1ccc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(Br)c1 481053354 JKDOBMQHBMCTMA-KRWDZBQOSA-N 441.304 4.889 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 489612639 FDJCINPZWRQFDA-UHFFFAOYSA-N 437.481 4.693 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1 511017698 QIAJPRAUQQJPNF-IBGZPJMESA-N 447.539 4.521 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(C)cc2)c(OC)c1 526491643 XFSOIMJUQAGZIT-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE COc1cc(OC)c([C@@H]2C(c3cccs3)=C(O)C(=O)N2c2ccccc2C#N)cc1OC 526607136 RUUIVUPFGHRCAJ-JOCHJYFZSA-N 448.500 4.703 30 10 IJEE Cc1[nH]c2ccccc2c1/C=N\n1c(C)nnc1SCc1ccc(C(=O)OC(C)C)o1 526830789 BDTSBGOPFDMRHM-KSEXSDGBSA-N 437.525 4.709 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1 544217816 BNWHSWSHWZRQHF-OAHLLOKOSA-N 434.359 4.795 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 559008270 VBNNGVUWFSAQOW-RDPSFJRHSA-N 427.552 4.824 30 10 IJEE C=CCC[C@@H](NC(=O)NC1CCN(C(=O)C(C)C)CC1)c1ccc(C(F)(F)F)cc1 578586322 RCDRHAWRUAWIPC-LJQANCHMSA-N 425.495 4.659 30 10 IJEE Cc1cc(Cl)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586208193 DUEDTILBMLNJPY-UHFFFAOYSA-N 441.896 4.824 30 10 IJEE N#Cc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(F)c1 609229654 HHYUQPZOLVYUIV-JOCHJYFZSA-N 435.886 4.528 30 10 IJEE CC(=O)N(Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1)C1CC1 609863762 JOQOJOZMIJSPDN-UHFFFAOYSA-N 426.476 4.509 30 10 IJEE C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 670201634 ASCXGKQWOUZDKC-JOCHJYFZSA-N 438.597 4.678 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1ccccc1Cl 733202661 VFVIPBVWLXIQIH-SFHVURJKSA-N 447.894 4.602 30 10 IJEE COc1ccc(Cl)cc1NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cccc(O)c1 792569750 NPONFMMSKRUJJG-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 798055942 DWGDDABKQSYLLI-AGILITTLSA-N 443.934 4.996 30 10 IJEE CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CC)cc1 799220914 FTUXHLXEIJGDIC-FQEVSTJZSA-N 425.554 4.682 30 10 IJEE C=CCNc1ncc(C(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)s1 807755584 REOPJWWYABMYOE-UHFFFAOYSA-N 449.602 4.564 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc3cc(Cl)sc3[nH]2)nc1C 813446838 DBFOKRMEIPVDLH-UHFFFAOYSA-N 436.975 4.633 30 10 IJEE C#CCOC(=O)/C=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 1084206953 CGBBTJGITZSDLC-TWGQIWQCSA-N 435.701 4.880 30 10 IJEE C=C[C@@H](CC)CC(=O)Nc1cccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1125602851 JBGXXBVLOMPOFQ-FXAWDEMLSA-N 430.545 4.784 30 10 IJEE C=CCC(CC=C)C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 1125639572 ABHASUVNKCCKLK-UHFFFAOYSA-N 442.556 4.950 30 10 IJEE Cc1ccc(CNC(=O)c2occc2COc2cccc(C#N)c2)cc1Br 1133162955 GKEGEMAEDKGPGG-UHFFFAOYSA-N 425.282 4.731 30 10 IJEE C[C@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1cccc(C#N)c1 1133500266 BCZYSTSEOCADKZ-HNNXBMFYSA-N 449.352 4.876 30 10 IJEE Cc1cc2c(NC(=O)c3cn(C(C)(C)C)nc3-c3ccc(F)cc3F)n[nH]c2cc1C#N 1164584447 FDQCWIVXHKHWBF-UHFFFAOYSA-N 434.450 4.892 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)[C@H](c1ccc(F)cc1)c1ccc(Br)cc1 1171799146 KUZGZPVDWHWOPE-NRFANRHFSA-N 432.333 4.955 30 10 IJEE Cc1c(S(=O)(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)sc2ccc(C#N)cc12 1211461519 HBVWKWHGCQALJJ-AZUAARDMSA-N 444.553 4.761 30 10 IJEE CC(C)[C@](C)(NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Br)cc1 1211512448 IFMLNLXUPZOFHZ-SFHVURJKSA-N 441.778 4.824 30 10 IJEE C=CCC1(CNC(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CCCC1 1223794706 VSUCEAOIJVYXAH-UHFFFAOYSA-N 445.560 4.562 30 10 IJEE O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)N1CCC[C@H](OCC(F)(F)F)C1 1234335404 BKDPLGFVYJBSHV-HNNXBMFYSA-N 442.375 4.629 30 10 IJEE C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1cccc(OCc2ccccc2C#N)c1 1264422204 GTTKOENGTYXTAG-SFHVURJKSA-N 428.488 4.617 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cc1OC 1265664719 QKNOAVYHVYYPCM-UMEUJHPDSA-N 425.428 4.539 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C2CCOCC2)C1 1286316954 NFXFUZBWCVFLCT-PZJWPPBQSA-N 440.563 4.614 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286344374 PKOYNVGJPWTSAD-LJQANCHMSA-N 439.922 4.594 30 10 IJEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H](C)c1cccs1 1286500215 SSGHTJGMXPPUSZ-INIZCTEOSA-N 442.610 4.588 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCCCO 1286518601 XDWVVVQZKSODFH-XMMPIXPASA-N 426.630 4.820 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)N[C@@H](C)CC 1286566048 JWKGZKROQNYEBB-IBGZPJMESA-N 425.621 4.950 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1286578339 CWXYJKSPVGQIAS-MBSDFSHPSA-N 430.666 4.547 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1286584320 HBUCPKFOVQLMRM-ROUUACIJSA-N 445.405 4.927 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(C)C)CC1 1286593242 LAQRPCPPSNLXAL-FQEVSTJZSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1286664471 XIICUIBFZZMPFV-JOCHJYFZSA-N 437.588 4.709 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1286678473 XPDLHBKHELUATC-FCHUYYIVSA-N 437.632 4.893 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1286688506 YCRHBAVOCSRAFD-UHFFFAOYSA-N 448.590 4.856 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCCN1C1CCCCC1 1286717867 NVHIODKZGNSGKJ-FQEVSTJZSA-N 445.558 4.966 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCS[C@H](C)C1)C(C)C 1286750920 JQEFOVXLGQDWHS-IRLDBZIGSA-N 425.646 4.585 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1286825132 HABIVKQGQMOPHL-RTBURBONSA-N 442.629 4.898 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](SCC)C1 1286830927 WTUBIEYOGSYITB-GOSISDBHSA-N 432.659 4.985 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc2C1=O 1290643119 NCCWMQQAVLLRRG-UHFFFAOYSA-N 434.879 4.654 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1293907765 GGTZOJBYUXDGIU-MSOLQXFVSA-N 440.592 4.697 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@H]1CC 1300273450 FLEMTDODMFNJKK-QKNQBKEWSA-N 444.023 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)C1CCCCC1 1300282386 HQAXOCPMKRXOEK-UZEJHQAJSA-N 440.657 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@](C)(CC)O1 1300284491 SPTDOEBMPWWJDS-XERREHJYSA-N 431.378 4.513 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@@H](OCC)C1 1300347131 AIJIATMBQSVZQS-AZUAARDMSA-N 426.630 4.940 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1ccccc1OC1CCCC1 1300565168 KNKFYHVJYAQPHX-UHFFFAOYSA-N 428.536 4.679 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1300650308 SWKGKLOTEYTIIP-ZEQKJWHPSA-N 438.591 4.851 30 10 IJEE C=C(Cl)Cn1c(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)nnc1C(C)(C)C 1301060392 FPMYGFAPWAFKRB-SFHVURJKSA-N 445.011 4.675 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1301095059 AGISFQAVHSAZGP-SFTDATJTSA-N 438.616 4.984 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 1301127704 QLEFLFVSFCFNJG-LJQANCHMSA-N 426.605 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1301148276 NCZLMEJSMFPXAW-UHFFFAOYSA-N 428.650 4.625 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1301309649 USVAUDWVUSVAKA-BGYRXZFFSA-N 439.648 4.853 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](c1ccco1)N(C)C 1301309691 UXMZVIUSPKJGIR-OAQYLSRUSA-N 437.588 4.673 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1c1cccs1 1301474319 ZEMZMHRKKWERCD-IRXDYDNUSA-N 429.590 4.939 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCC2CCOCC2)C1 1301547214 XAKLDAMCEDTQMX-IBGZPJMESA-N 430.980 4.587 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(n2ncc3ccccc32)CC1 1301611779 QLGBBFFKTMWCHH-UHFFFAOYSA-N 438.645 4.977 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1C(C)(C)C 1301620312 DWSQKQPWSZXIJZ-GOSISDBHSA-N 428.602 4.608 30 10 IJEE COc1cc(NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(F)cc1C#N 1311032837 AXMIQSFDQXODOL-UHFFFAOYSA-N 430.892 4.847 30 10 IJEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccnc2)C(C)C)C1 1314270457 GYQGHLUBIXKIBN-ZEQRLZLVSA-N 444.583 4.657 30 10 IJEE N#Cc1cccc(COc2cccc(NC(=O)c3cc(F)c(N4CCOCC4)c(F)c3)c2)c1 1350450549 AIOYAAHGGLPPRT-UHFFFAOYSA-N 449.457 4.504 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1 1351481355 DHTUZRZADNAKRV-AREMUKBSSA-N 426.516 4.959 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C)nc1 1358969764 WGFKUKJTPDBULY-FQEVSTJZSA-N 447.970 4.513 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@](C)(CC)C1 1359077612 GZLCXBPYFQYHNJ-RXVVDRJESA-N 433.394 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(N(C)c3ccccc3)CC2)nnc1C(C)(C)C 1359105029 IZDYUOPZTOPKBB-OFNKIYASSA-N 437.632 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(SC)CCC1 1359108681 YNKBAMQZDDOULO-UHFFFAOYSA-N 438.439 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1359186148 WIRXAWZRJVJJIM-HSZRJFAPSA-N 446.643 4.844 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359211098 RMJBWVXBESENQE-MSOLQXFVSA-N 429.565 4.552 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C(C)C)N1CCCC1 1359244899 UVWCYCFWBAZKBM-HXUWFJFHSA-N 434.053 4.966 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1Cc1ccc(Cl)cc1 1359277210 FQIOQNYZKGBVLN-UHFFFAOYSA-N 433.943 4.794 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1 1359948189 IKPZKPAQIKAUGV-UHFFFAOYSA-N 437.458 4.995 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 1361104451 RXIOKSBNCJMPQG-UHFFFAOYSA-N 428.473 4.670 30 10 IJEE C=CCN(C(=O)c1coc(-c2ccccc2Cl)n1)[C@H](Cc1ccccc1)C(=O)OCC 1435900839 QFSUPQFNMRCLPA-OAQYLSRUSA-N 438.911 4.798 30 10 IJEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccncc1)c1ccc(Br)cc1 1436485910 FLIXQTAPVVOWCB-INIZCTEOSA-N 436.309 4.716 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COc1ccccc1)c1ccccc1 1443693585 WVLPEBBRFBSJMO-SFTDATJTSA-N 444.959 4.959 30 10 IJEE C=CC[C@@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)C(=O)OCC 1447548338 FVVZYASKQGIMHD-HJTJBWIJSA-N 430.504 4.942 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)C(C)(C)C)cc1 1459188677 KJUUUXYZVKHONQ-NRFANRHFSA-N 428.479 4.850 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(F)c(Br)cc1F 1462694723 JAEPLMWCBSXEBR-UHFFFAOYSA-N 442.734 4.819 30 10 IJEE C[C@@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 1465212098 DMKVGAOLYKPBMO-MHECFPHRSA-N 447.560 4.671 30 10 IJEE COc1ccc([C@@H](OC)[C@H](C)NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 1465431421 HXERSBZJVRNSLE-HJPURHCSSA-N 432.480 4.652 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2)CC1 1466165212 PHMWHLGXWUWUAM-UHFFFAOYSA-N 437.971 4.675 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)cc(OC)c1OC 1468362243 VAERAGRRYHBRPR-QVKFZJNVSA-N 432.948 4.661 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1469491184 KOBDACMTOQSRQU-UYAOXDASSA-N 431.458 4.817 30 10 IJEE C#CCN(CC(=O)N(Cc1cccc(C(F)(F)F)c1)CC(C)C)C(=O)OC(C)(C)C 1470499333 WEOMWOOXPSHNDL-UHFFFAOYSA-N 426.479 4.560 30 10 IJEE N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(CCCc4ccccc4)cc3)C2)nc1 1476087708 DLILAAJKMJBXID-DEOSSOPVSA-N 426.520 4.814 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 1477535235 IDGQTUIIIFQRAO-XMMPIXPASA-N 448.929 4.972 30 10 IJEE C=CCCC1(CNC(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCCC1 1478385962 JAIUPYQPIGTVHX-SFHVURJKSA-N 437.506 4.632 30 10 IJEE C#C[C@@H](NC(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)cc1F 1478900368 LFEXXWWFALIXSB-NZQKXSOJSA-N 427.951 4.850 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1C)N(C)C 1496633123 AHNCMPHCUNAPFP-HSZRJFAPSA-N 434.588 4.721 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)SC 1502045006 IEMWFYCVFWGLNZ-MRXNPFEDSA-N 427.599 4.568 30 10 IJEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)C1CC1 1503542109 CLVRVUJMCSCZJK-QFIPXVFZSA-N 437.588 4.560 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C)CC1 1507578309 YSZXMGZQYHQKAB-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCCC(F)(F)C1 1507642966 DOFNWBFZOAEVNA-IBGZPJMESA-N 448.521 4.624 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCS1 1507695460 ZFNCWDJRUJEFML-OAQYLSRUSA-N 426.630 4.900 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1507745947 GZNMFVBHYXRJQW-SFHVURJKSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1507752920 GIWODDFHXYQVDF-QGZVFWFLSA-N 431.675 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1507798995 QALIXSKYQKVWMP-VMBXEPDQSA-N 430.637 4.632 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(SC)CC2)CC1 1507877678 MZIKYRFDJUFGGU-UHFFFAOYSA-N 449.418 4.768 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2cccnc2)CC1 1507882154 RVMCAKAONDHKQI-HXUWFJFHSA-N 433.556 4.611 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 1507902567 FJYXDELVYMOHDG-PKOBYXMFSA-N 430.980 4.695 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 1507924158 JJAVULQIZLHRFU-OAQYLSRUSA-N 439.604 4.830 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1507960562 ZWBGQTLYBHNSPN-NRFANRHFSA-N 448.596 4.558 30 10 IJEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(Cl)s1)C1CC1 1507995150 FINVVTUTIMJHTN-UHFFFAOYSA-N 430.961 4.784 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Sc1ccccc1)C1CC1 1507997046 PUIBSTUCZCHYOZ-MRXNPFEDSA-N 425.627 4.969 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCCN1CCC(C)CC1 1508014444 ZHJIPWAOORCSFQ-UHFFFAOYSA-N 430.600 4.794 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](SC)C(C)(C)C)C1 1508115830 LWEBUAIVGXWVFM-IAGOWNOFSA-N 436.025 4.553 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)C(C)C 1513014898 DDOYSUGLPZIZKD-GOSISDBHSA-N 426.584 4.811 30 10 IJEE CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(C(F)(F)F)c1 1520214851 DVOVWRZSKNLACX-NRFANRHFSA-N 431.458 4.649 30 10 IJEE C=CCN(C(=O)c1ccc(OC(F)F)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1522960449 TUWXXWRYFSHARQ-SFHVURJKSA-N 437.870 4.744 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 1526380012 MESUCCXXDXSGFB-UHFFFAOYSA-N 431.344 4.988 30 10 IJEE C#C[C@@H](NC(=O)Cc1c(Cl)cccc1Br)c1ccc(Br)cc1 1528088683 PCPKCKIOJDESTP-MRXNPFEDSA-N 441.550 4.898 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc2c(c1)OCO2 1529764873 SGXMJBXFIPYVKQ-UHFFFAOYSA-N 448.425 4.977 30 10 IJEE COc1ccc(-c2ccnc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)n2)cc1 1531702311 FBNOUJLHEKREAL-UHFFFAOYSA-N 436.471 4.855 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)C1 1533633834 JLQUOXUHIPLEOF-MRXNPFEDSA-N 444.503 4.504 30 10 IJEE C[C@H]1Cc2c(sc(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)c2C#N)[C@H](C)C1 1534153713 AWETYTFUQGGPBU-VKCQTPNSSA-N 425.529 4.603 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)N2CCc3cc(C#N)ccc32)s1 1535597011 BQSIKFHVQPXWNZ-UHFFFAOYSA-N 440.322 4.656 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1539053782 ZVYHGLJMVBIXCW-IRFCIJBXSA-N 442.007 4.548 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1539059889 UEDPJYQVAQNOSG-UHFFFAOYSA-N 449.643 4.850 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@H](C)N1CCCCC1 1539342931 CEXASINKZVAKTH-JTHBVZDNSA-N 437.632 4.759 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1539524559 IJVDFIUDSNFEGD-MRXNPFEDSA-N 430.568 4.779 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cnn(CC)c1 1539677453 CSWBKDZYGTUIDI-UHFFFAOYSA-N 431.009 4.891 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H]2C)ccc1Cl 1539680171 CEMAJBCXZQNPAM-PKOBYXMFSA-N 447.000 4.887 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2CC2(c3ccc(F)cc3)CCOCC2)CC1 1539871017 GKKKSHDNCUBZAC-UHFFFAOYSA-N 426.580 4.866 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1539929633 ZARDZHYKWBXIPZ-UWJYYQICSA-N 428.552 4.602 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1)C1CC1 1540108607 SKRRIJXRDCJMJO-HXUWFJFHSA-N 437.588 4.596 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H]2OCCC[C@@H]2C1)C(C)C 1540151985 NZWXLUPPMYTISX-DNVJHFABSA-N 443.680 4.571 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCSC1(C)C 1540180695 SPGIMCFVAGBVPF-NHCUHLMSSA-N 426.630 4.549 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1540882299 GGCWOPLDNOVMJT-QHCPKHFHSA-N 437.632 4.642 30 10 IJEE C#Cc1cncc(C(=O)Oc2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)c1 1543955725 LEJLRWHLXNVSLO-UHFFFAOYSA-N 446.260 4.762 30 10 IJEE C=CCn1c(SCCCCn2ccnc2C)nc2sc3c(c2c1=O)CCCCC3 1559309941 JBBXXCNDIJRPMY-UHFFFAOYSA-N 428.627 4.990 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@](C)(O)c2cccc(Cl)c2)cc1OC 1560430403 KNBKTCUNNLUJSY-FQEVSTJZSA-N 440.765 4.673 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccc(C(F)(F)F)cc1 1561402724 RAUMHCCDRDZMDP-MRXNPFEDSA-N 444.431 4.608 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 1564081566 DHXDNHIGCBHZRR-MOPGFXCFSA-N 428.374 4.514 30 10 IJEE C=CC1(CC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)C1 1566418323 SLXJLTGBYJLJNO-INIZCTEOSA-N 430.442 4.749 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 1583757979 AXBRTGWUOOSQBN-HSZRJFAPSA-N 425.460 4.638 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 1584642121 VMXWXQMBIDRGOP-UHFFFAOYSA-N 437.265 4.978 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCCCCC4)c(F)c3)cc2C1=O 1584754589 CRMUIMABYLDYEJ-UHFFFAOYSA-N 435.499 4.631 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CCCC1(C)C 1586321063 XVCSRSNBFPKBIQ-KNKQGSTJSA-N 432.630 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OCCC 1587585637 DBYWJKXGIAQPAR-IBGZPJMESA-N 431.584 4.933 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)cc1OC 1587988298 KKZVLNUNTDSEMZ-GSQIGPBRSA-N 434.580 4.834 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCO1 1589251903 UCBRLSZXSKSAIP-HTAPYJJXSA-N 449.382 4.725 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N(C)Cc1cc(Cl)ccn1 1589357729 GFOWASXPZDCOJP-UHFFFAOYSA-N 432.753 4.847 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1593600468 KSADXXVYRXBLAV-INIZCTEOSA-N 445.901 4.896 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)CC 1593712142 SYKACIQXAZPMIH-UHFFFAOYSA-N 427.774 4.800 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cnc(C(C)C)nc1 1593825657 DDBDUYQHVPEJSD-UHFFFAOYSA-N 448.962 4.638 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(C)(C)O)CC1 1594191836 AICPJQOYIKOCTJ-KRWDZBQOSA-N 432.996 4.862 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(C)O)CC1 1594203057 YFYAAWHGJBZPLR-UHFFFAOYSA-N 433.600 4.916 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc(Br)c2)n1CC1(C)COC1 1594551920 CKEFHCOUOCEXQS-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1594646542 ZVEXYGHMKRYOGR-UHFFFAOYSA-N 430.600 4.564 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1594708953 CYZHEDULMHMARL-SFHVURJKSA-N 442.951 4.649 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCCCCC1 1594720560 PFJAOAKOCRVKDW-UHFFFAOYSA-N 434.588 4.802 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1594913963 RPMMZJGQLQJMHZ-NRFANRHFSA-N 436.991 4.761 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1CC1CCC(OC)CC1 1595120141 NXCLWQWEHKDKIK-UHFFFAOYSA-N 448.615 4.538 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C)C1)C(C)C 1595165236 DCOXKYHFUQDQSS-PZJWPPBQSA-N 443.039 4.928 30 10 IJEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@@H]1C 1595849932 HHANIPDIUDXGQE-IRXDYDNUSA-N 446.617 4.515 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 1596511661 RSMCRIBEBVGQDR-SFTDATJTSA-N 444.934 4.991 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccnc(Oc3ccccc3F)c2)o1 1612009387 AIXAZTGHAVSVOP-INIZCTEOSA-N 446.486 4.960 30 10 IJEE C=CCOc1ccc(CNCc2ccc(Cl)cc2I)cc1OC 1620917043 OPILRPPKRKVGSJ-UHFFFAOYSA-N 443.712 4.808 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)CC1 1622850047 AVDASSKXCZVEGM-UHFFFAOYSA-N 443.569 4.672 30 10 IJEE C/C(=C/C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(F)c1 1628763216 CQTQENKFJOPQAM-XSZJWBAASA-N 435.339 4.814 30 10 IJEE C=CCNc1ncc(C(=O)NCC(C)(C)Sc2ccc(Br)cc2)s1 1634394826 ZPNZRVHAEBYVRM-UHFFFAOYSA-N 426.405 4.804 30 10 IJEE C=CC1(CC(=O)N(CC)Cc2cccc(-c3ccncc3)c2)CN(C(=O)OC(C)(C)C)C1 1634753647 QGBCLOFCIGAYQJ-UHFFFAOYSA-N 435.568 4.910 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccnc1SCc1ccc(Br)cc1 1635310236 DXIWCARGKHFOMY-VQIMIIECSA-N 447.398 4.847 30 10 IJEE C#CCC1(NC(=O)[C@H](CC)CNC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 1635514983 URCXNHMLOBOLOT-LJQANCHMSA-N 430.548 4.614 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1637219635 BDEJUJPQOYGIPT-UHFFFAOYSA-N 437.368 4.664 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 1637243824 KLECZJXDGXLPBJ-DENIHFKCSA-N 436.552 4.789 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccco1)c1ccccc1OC 1641975157 OHQIBMAKJUYTNG-APWZRJJASA-N 434.920 4.530 30 10 IJEE CC(C)Oc1ccc(CC[C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 1653695084 DWAFIDFOHIIEDZ-HNNXBMFYSA-N 440.487 4.664 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 1653988731 VEEDEZXCSPFXCD-FQEVSTJZSA-N 426.365 4.874 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2C1 1655935445 AVJYRACQXCOKAD-UHFFFAOYSA-N 435.254 4.631 30 10 IJEE C=CCNc1nnc(SCC(=O)c2cc(C)n(-c3ccc(OCC)cc3)c2C)s1 1656179964 GZFLRTTXFGBZGL-UHFFFAOYSA-N 428.583 4.917 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCCc1cc(Cl)cc(Br)c1 1659600435 IYKSUIOIALXRLQ-UHFFFAOYSA-N 425.685 4.618 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1C#N 1670179363 GKSXYIIDRMUJLU-UHFFFAOYSA-N 429.904 4.524 30 10 IJEE C[C@@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H]1CCNC(=O)OC(C)(C)C 1679256764 FBOMTNZBYJCKEK-HMXCVIKNSA-N 428.577 4.756 30 10 IJEE C#CC1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)CC1 1686647991 BEVOHNIYMJBZHL-LJQANCHMSA-N 427.545 4.691 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCSc1nccs1 1689843631 ZJKZPPUDNKWVBR-INIZCTEOSA-N 434.594 4.590 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1689917725 DUPJENINGWFVJO-SFHVURJKSA-N 447.549 4.729 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC(CN2CCCCCC2)CC1 1689938834 XWQHFMZCFCEQFS-UHFFFAOYSA-N 449.643 4.671 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(F)(F)c1ccccc1 1689951435 XBHCBKKADFNUCC-MRXNPFEDSA-N 426.536 4.993 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1690181290 SRXAMYUJLLVRGP-FQEVSTJZSA-N 443.686 4.835 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1N(C)CCCC1(C)C 1690212945 WUXCSPZQSSYHJN-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690239558 YFWCIFJMYWKYGC-POAQFYNOSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)CCSC 1690248633 OXUJXEXHKSCSCI-NWSQWKLXSA-N 428.646 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N(C)C1CCCCC1 1690266768 INBBHVDQQQPUDJ-UHFFFAOYSA-N 444.023 4.716 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 1690363967 GHMCEEJALOTYIC-GHTZIAJQSA-N 439.535 4.610 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(Cl)nc2)CC1 1690367377 LXGMSGHCAIYQFP-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)CN2CCCC2)CC1 1690412513 UFKIMKMZQPEEJS-LJQANCHMSA-N 428.024 4.657 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1690473946 MCODHCSVIVRXRP-AWEZNQCLSA-N 430.350 4.905 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@@H]1CCO[C@H](C)C1 1690519856 AAVMBSMLPAUMTL-HUUCEWRRSA-N 437.357 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(OC)CCOC1 1690585418 KMRLKTXZNDXTIU-JOCHJYFZSA-N 444.988 4.797 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@@H]1C 1690605689 UCJITBFLDRBHQZ-MHECFPHRSA-N 440.975 4.978 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@H](C)c1nc(C)cs1 1690615724 PELXZFZQJRRWGF-HNNXBMFYSA-N 431.993 4.806 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](SC)C1 1690683050 AHIZDSJDFWKTCJ-RTWAWAEBSA-N 442.629 4.507 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[C@@H](F)C1 1690736243 XSGQZIMEGQZLHE-WBMJQRKESA-N 443.361 4.560 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCSC1 1692827649 HFZUYRVDXLCPSZ-FUHWJXTLSA-N 446.020 4.955 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1694028809 BZTZVOBVSBJHGL-XUZZJYLKSA-N 434.632 4.834 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1CCCC[C@H]1C 1705577151 CUYZPRAPWOECPI-JOCHJYFZSA-N 431.628 4.580 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC1CC(F)(F)C1 1705655296 ABPUAAKRFACDRU-UHFFFAOYSA-N 428.911 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)C1 1705698594 WHVXJYZQXUTHPL-SUMDDJOVSA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)C1 1705698595 WHVXJYZQXUTHPL-WDYCEAGBSA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(Cl)c1 1705703761 OSDNDBZHAGBCAE-NQIIRXRSSA-N 425.964 4.555 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705705513 IIXWXLLBHSWSCQ-SQJMNOBHSA-N 449.574 4.799 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](OCCC)CC1 1705731337 WSUTVGCIEKVDCH-NRFANRHFSA-N 432.996 4.977 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1705765943 IFHDRYDGTAKKNA-NFBKMPQASA-N 440.588 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705786784 XSUAQHJSAPYXMM-GOSISDBHSA-N 430.666 4.735 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705809484 SJEAFSZCSZPVDY-QAPCUYQASA-N 439.387 4.727 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1cccs1)N1CCCC1 1705838088 BRYYADZVOLLQEI-QGZVFWFLSA-N 428.993 4.514 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1705872095 KYGGZINSNWVCCH-ZEQRLZLVSA-N 429.568 4.995 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(OC)CCC(C)CC1 1722281249 UHNHGKHRFXZRFP-FRQRHGNXSA-N 431.584 4.855 30 10 IJEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccccc2Cl)C1 1722344262 UYAKRNPQSACDJM-CTYIDZIISA-N 444.764 4.877 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)SC 1722391255 YZUAAOLDQDXIAH-RTBURBONSA-N 445.032 4.903 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCSc1nccs1 1722420758 IZWGOMGVYQSQQQ-UHFFFAOYSA-N 441.601 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(C)CCOCC1 1722466702 CQYWKZPMEQDGII-QFQXNSOFSA-N 436.600 4.844 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1722515202 KAQWWIXDJKDOCS-WOJBJXKFSA-N 426.605 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(F)(F)CC1 1722585011 NNCHLAHAKQQAKQ-UHFFFAOYSA-N 428.325 4.874 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)c1nc(C)cs1 1722633940 HMMJSDVHYBOKML-HNNXBMFYSA-N 427.574 4.543 30 10 IJEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cc(Cl)ccc1OC(F)F 1722641849 FYFRLGRYNDGYSG-UHFFFAOYSA-N 439.919 4.559 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCOC(F)(F)F 1722642600 IWKMUWGGRVRDQN-UHFFFAOYSA-N 439.265 4.713 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H](C)N1CCC(C)CC1 1722656498 CUJYSHKMEORBQE-JOCHJYFZSA-N 434.632 4.661 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC=CO1 1722661507 IAHJCNJUIIEGCC-KRWDZBQOSA-N 427.961 4.940 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(CC)(CC)OC)C1 1722710243 GBELPYWMNLAHEE-FQEVSTJZSA-N 449.599 4.788 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1Cc1cscc1C(F)(F)F 1740674723 RBKVTNTZQIAEIF-UHFFFAOYSA-N 434.487 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CC[C@](C)(CC)O1 1740732940 VTQZDPXEQLHDII-HUVFLSCGSA-N 426.992 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC1CCCCC1 1740757934 YHTOFFTUEGTUDR-FPOVZHCZSA-N 429.996 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)C1CCC(C)CC1 1740764086 ULANXCNPULBXGI-SEEQCCGUSA-N 438.616 4.896 30 10 IJEE C=C(Cl)Cn1c(N(CCC(C)C)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740816141 WUNVOLVMPUTKKH-CALCHBBNSA-N 438.016 4.816 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1740840724 KDVSLAISRJYJGB-AMGIVPHBSA-N 435.660 4.976 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1740841087 QQOCGJDPUQGDBY-GOSISDBHSA-N 436.629 4.561 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1740844213 XJWQDQUNDUOURJ-UHFFFAOYSA-N 426.996 4.855 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC(N4CCCCC4)CC3)nnc2C(C)(C)C)cc1 1740968241 GCVHCDCKGDCSOW-UHFFFAOYSA-N 437.632 4.643 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccs2)N2CCCC2)C1 1740979016 ATDBNBLAPRADIM-PMACEKPBSA-N 443.661 4.547 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCC1(F)F 1747730252 HGTNKISJRAGAAW-NRFANRHFSA-N 436.510 4.597 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCc1nccs1 1748646735 CYKMRHFEWACAJY-MRXNPFEDSA-N 448.621 4.924 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)CN1CCCCC1 1748651542 OQBPQNZTMMGNBP-WOJBJXKFSA-N 439.673 4.855 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2CCC[C@H]2CC)c1 1748694319 DUVLFDONSLFBBC-PKTZIBPZSA-N 447.627 4.893 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](OCC)C1 1748739881 KVEAFZBAZKFSDF-NRFANRHFSA-N 434.540 4.536 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)c1nc(C)cs1 1748890116 ORMWVUCFAQGMGO-SFHVURJKSA-N 440.576 4.525 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(CC)s2)CC1 1748979657 IBBOGVNHEJPRKX-UHFFFAOYSA-N 447.652 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(CC(C)C)C(C)C 1749136750 RJDHTACDAPLLIA-QPPBQGQZSA-N 437.588 4.581 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N(C)C1CC1 1749146491 FWEPMXPTMBJBLX-INIZCTEOSA-N 432.410 4.593 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@](C)(O)c1ccccc1 1749149020 OFNYFYBUNQHAFC-QHCPKHFHSA-N 425.964 4.694 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCc2cc(OC)ccc21 1749163082 CEZCFFCQPNQGLV-JOCHJYFZSA-N 431.584 4.795 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1occc1C 1749171492 WMKJDLKJIZFZEO-SFHVURJKSA-N 429.565 4.702 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[C@@H]2CCOC2)CC1 1749309820 OLUGHHMZITZKMK-HXUWFJFHSA-N 445.007 4.835 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCSCCCO)CC1 1749331212 FHTGGODSIBARAP-UHFFFAOYSA-N 428.646 4.761 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)c1ccccc1 1749381212 DFSVBCLUDXAYRG-ICSRJNTNSA-N 435.538 4.834 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)c1c(C)noc1C 1749467302 NHBMDESRHVDJSC-ZDUSSCGKSA-N 430.350 4.738 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@@H]1C(C)C 1749473250 CEGGSZYRLSOPJK-IEBWSBKVSA-N 433.394 4.699 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@H]1C(C)C 1749578891 HQOMHEMCMBMXJC-CPJSRVTESA-N 433.600 4.980 30 10 IJEE CC(C)OCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1751049413 GWXAGAFBRPHXLE-QGZVFWFLSA-N 431.968 4.627 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCCC1 1751082197 HYINUTCNGMAIIU-LJQANCHMSA-N 432.572 4.872 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccsc1)N(C)C 1751090751 AHMSMNSQVUKFEV-DNVCBOLYSA-N 428.993 4.701 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2scnc2C)s1 1751505888 DMEHNVIKVBTLGM-UHFFFAOYSA-N 434.594 4.831 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1760115432 GLCDXJYTLYMZPT-WIYYLYMNSA-N 426.992 4.862 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1nccs1 1760210666 VHTYGKAMVPCUPB-PZJWPPBQSA-N 447.608 4.758 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN(CC)C(C)C)CC1 1760397545 WUSKJFOHZRUXIQ-IBGZPJMESA-N 429.584 4.690 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccsc1Br 1760419552 VGTIKZRRAKHGEP-UHFFFAOYSA-N 449.422 4.734 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CN(C)C 1760456792 XIZVKMAVNMFQRS-SFHVURJKSA-N 434.028 4.898 30 10 IJEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 1768785084 DSAXVUSTXROVCI-UNMCSNQZSA-N 437.588 4.535 30 10 IJEE Cc1ccccc1NC(=O)[C@@]12CC[C@@](C)(C(=NNc3ccc([N+](=O)[O-])cc3)C1=O)C2(C)C 1772722131 BHMQTAVZQMUVLG-BJKOFHAPSA-N 434.496 4.705 30 10 IJEE COc1ccc(C=NN=C2S/C(=C\c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 1772758488 WURNRXJBTRCRAY-JWZGDWNOSA-N 435.480 4.934 30 10 IJEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)Cc3ccc(C(C)C)cc3)nc12 1859656034 LQYSUADCWDPOIQ-UHFFFAOYSA-N 439.519 4.914 30 10 IJEE COc1cc(/C=N/NC(=S)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 1860499485 NZCHHSQFDHHGHK-QITGBAMKSA-N 437.609 4.897 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)[C@H](C)CC 1861216331 FLUZBCDQOUIRHZ-QLBJFCOMSA-N 443.676 4.906 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(F)(F)F)cc1 1862416333 NCCPXFZZPOWQKK-QGZVFWFLSA-N 425.353 4.970 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F 1862418611 KBAGNRRJARFPSX-HXUWFJFHSA-N 442.418 4.784 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccccc1 1862456457 RYNNXTIYVXXVRR-OAQYLSRUSA-N 447.453 4.889 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(Br)c2)cc1 1862488122 RIDLOUMXEUYIPG-IBGZPJMESA-N 428.326 4.992 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862494611 CYSZPWXAFPDQLX-URXFXBBRSA-N 449.547 4.850 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1F 1862505488 CYKUTQVRYADIGA-OAQYLSRUSA-N 438.455 4.953 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OC)cc1 1862525215 XCYCVUNKWMATOF-LJQANCHMSA-N 444.325 4.836 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2c(F)cccc2Cl)c1 1862561033 MCOXXUSLONJIKO-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(C)c1 1862687120 GYVUTPDAYVTVBD-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 1862687997 QSTKSVMONJWZGI-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2cccc(F)c2)c1 1862702357 BVVYHWPOLAZQCJ-XMMPIXPASA-N 445.490 4.964 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862718049 RWYOOZCCYTZRCV-QFIPXVFZSA-N 430.460 4.982 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(C)c2)cc1 1862736761 OAWVJWMOILWXJO-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CCCOc1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)c1 1862753392 XJDQPEXCAUXTFE-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CC(C)Oc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862926131 XGESXUBQCCFQAP-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866775052 JUBZRZSEJUXIKM-DHIUTWEWSA-N 435.568 4.929 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 1867121228 DXHDIARCGGDMGC-RUZDIDTESA-N 425.532 4.556 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccccc3)cc2)c1NC(=O)c1ccccc1Cl 1870140279 IKBGJPBJBMNOMU-UHFFFAOYSA-N 429.867 4.624 30 10 IJEE CCCCCCCCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN(C)C 1870461283 AIGHQGMINSSHJO-UHFFFAOYSA-N 430.589 4.737 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCC(CO)CC1 1870468106 PHSCOHDWZBCNPM-UHFFFAOYSA-N 440.628 4.992 30 10 IJEE C=CCOc1cn(CCCN(CC)CC)c(CNc2ccc(OCCCC)cc2)cc1=O 1870811014 CBQWLMIZXORTRL-UHFFFAOYSA-N 441.616 4.936 30 10 IJEE C=CCOc1cn(CCC2=CCCCC2)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870813453 LVUNUBQWWWPCHD-UHFFFAOYSA-N 439.512 4.833 30 10 IJEE CC(=O)Nc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc(F)c2)C3=O)c1 1871364710 GWAUCMPDAOHWFP-UUYOSTAYSA-N 431.419 4.928 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871456463 GPGHMEWRCKBXSB-MTJSOVHGSA-N 448.406 4.676 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872267368 GJJIFVRDSSITJW-AUSIDOKSSA-N 444.597 4.624 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872431501 MVAFFYYCCCVFAG-LJQANCHMSA-N 444.597 4.639 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(Cl)ccc3OC)n2)cc1OC 1872761447 NLAZGRBSBKSOBO-HNNXBMFYSA-N 428.897 4.979 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@@H](C)CC)cc2)=C(c2ccccc2Cl)C1=O 1873194688 DTWWDJOGUMZPJV-HNNXBMFYSA-N 438.911 4.673 30 10 IJEE Cc1cccc(/C=N/n2c(Cc3ccccc3)nnc2SCC(=O)NC2CCCCC2)c1 1874418288 IKNLBPBSJFFUKA-YZSQISJMSA-N 447.608 4.601 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccc[nH]2)cc1 1874421724 AQKVWOJIFIAQAH-YDZHTSKRSA-N 436.566 4.510 30 10 IJEE COc1cc(/C=N/n2c(SCc3cccc(F)c3)nnc2C(C)(C)C)cc(OC)c1O 1874483005 ZFXUFQFIIFUXOX-WYMPLXKRSA-N 444.532 4.612 30 10 IJEE COCCc1nnc(S)n1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1874559624 CLCVPUDAVMWENO-AFUMVMLFSA-N 436.512 4.509 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c1 1874639039 FJSAPUMZDZWNJK-QPJJXVBHSA-N 447.871 4.731 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3cc(OC)cc(OC)c3)c2)c1 1874694581 KMBLXSIQXCUAAJ-CSKARUKUSA-N 448.471 4.836 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1 1874722791 OQBWNJABLUMFML-UHFFFAOYSA-N 428.536 4.746 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccccn1 1875117083 HXYWRMZKRSBLOZ-CSKARUKUSA-N 438.277 4.968 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)ccc21 1890702502 DTHVKNYGFHDDBM-OAHLLOKOSA-N 428.916 4.684 30 10 IJEE O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@H](COc2cc(C(F)(F)F)ccn2)C1 1891852673 JJGCTYTXBMPVFX-JTQLQIEISA-N 436.327 4.588 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OC(C)(C)C 1922070335 YILMANBILIEZLN-ILWGZMRPSA-N 434.621 4.834 30 10 IJEE Cc1cc(Br)c(F)c([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1 1927528638 OANNBIGYIGJYPX-XJKSGUPXSA-N 427.314 4.877 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1930735655 RWJLOBICRDTKIK-OCCSQVGLSA-N 435.156 4.714 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C(C)(C)C1 2013258597 LENIWFCABZOGBP-OAQYLSRUSA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(C1)CC(C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2013362220 AIISJQXNTLWONE-UHFFFAOYSA-N 434.541 4.607 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2033307191 PDLAXIIDVQEHIK-ILZDJORESA-N 445.560 4.974 30 10 IJEE C=CCC1([C@@H](O)Cc2cccc(Br)c2Cl)CN(C(=O)OC(C)(C)C)C1 2047982902 SADLLJPPGRIUOF-HNNXBMFYSA-N 430.770 4.819 30 10 IJEE COc1cc(C=CC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1OCC#N 2054110633 LFTQQJMOVIFGFM-UHFFFAOYSA-N 433.533 4.627 30 10 IJEE C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@@H](C)N1C(=O)OCc1ccccc1 2054426275 BKFUHPLKVVJMSE-HUUCEWRRSA-N 446.320 4.696 30 10 IJEE CCCC[C@@H](CC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2060637099 GNEHHBPCFICJCT-ROUUACIJSA-N 438.418 4.545 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCCB3OC(C)(C)C(C)(C)O3)C2)C1 2073336734 TVOSTJZICLEMLW-WOJBJXKFSA-N 436.446 4.828 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)c(C)c1 2079061016 QQKMNLXIHSVMEO-CBVHTYNASA-N 449.336 4.964 30 10 IJEE C[C@H]1C[C@@H](Nc2cc(Br)cc(F)c2C#N)CCN(C(=O)OC(C)(C)C)C1 2107451493 VNILGLGKTWMKJA-JSGCOSHPSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)CC1(C)C 2118198969 MRGSYINFERIQFH-CQSZACIVSA-N 426.330 4.589 30 10 IJEE Cc1csc(CN(C)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1Br 2157019132 SUZPWTLRFPVHCI-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CC1(C)OB(C=C2CCN(C(=O)C=Cc3ccc(Br)s3)CC2)OC1(C)C 2163719750 YSUYFVMTCKCMPU-UHFFFAOYSA-N 438.196 4.704 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NCCC)c2c(Br)cnn2CC)C1 2183006039 GFIQWDKJBKWDDG-QGZVFWFLSA-N 441.414 4.567 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CSC(C)(C)C)[C@@H](N)C#Cc1ccccc1Br 2232131386 WUTMZLZYWLYRGI-DLBZAZTESA-N 441.435 4.553 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 2235721475 IVUZMUYONOIDKY-RBUKOAKNSA-N 437.422 4.964 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H]1CCC2(CC2)N1C(=O)OC(C)(C)C 2235748057 WDXPZPZDMIMJCS-RBUKOAKNSA-N 433.390 4.711 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1 2266749707 QTOAKXQRAYCLCX-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 2267004665 AGGQAKUGMKIFJS-UHFFFAOYSA-N 445.290 4.833 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3CCCC3)c(F)c2)OC1(C)C 2267411324 XMFGBHJJWHROBF-UHFFFAOYSA-N 437.364 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1c(Br)cccc1C#N 2269736655 YSLGFJSIDANPND-ZDUSSCGKSA-N 430.293 4.767 30 10 IJEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(N)(C#Cc1ccc(Br)cc1)C2 2296215560 BHIPECBUAKOGRX-UHFFFAOYSA-N 433.390 4.746 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296296188 LEXLWGDDLWDPKE-RTBURBONSA-N 435.406 4.672 30 10 IJEE Cc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 2313558142 UHSIKYMUIZJIND-UHFFFAOYSA-N 435.480 4.854 30 10 IJEE CC[C@@H](CN(C)C(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317348104 INRMXLDFKVGTDF-JKGDOXCYSA-N 432.370 4.751 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2N=Cc2ccccc2OC(C)C)c1 2321106684 XCBWAHDIEDNIRF-UHFFFAOYSA-N 437.569 4.604 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1OC 2322051942 HLKINLOVYXVXDV-UHFFFAOYSA-N 447.462 4.811 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3ccco3)C4=O)CC2)c1C 2324184817 ZGJUGSPVWWPOEN-UHFFFAOYSA-N 430.504 4.540 30 10 IJEE CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1cc(Br)ccc1OC 2324965368 KGBKOUYSIVYANM-UHFFFAOYSA-N 449.349 4.925 30 10 IJEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@H](C)c4ccccc4)ccc3C2=O)cc1 2325009111 GIXHXDOWEAGDLR-QGZVFWFLSA-N 429.472 4.568 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)Nc1ccc(F)c(F)c1 2325517680 CSHGTGFMVLDLCS-UHFFFAOYSA-N 425.362 4.738 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4cccc(C)c4)c3C)C2=O)cc1 2325727058 MPRWQNVGCUSTAW-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc1OC(=O)C1CCCC1 2325786076 DHMQGYWGGMCKMX-UHFFFAOYSA-N 440.492 4.713 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(O)c2Br)cc1Cl 2325789040 YQTNHUFXRQHDHQ-UHFFFAOYSA-N 427.678 4.730 30 10 IJEE CCOc1cc(C=Nn2c(CC)nnc2SCc2cccc(F)c2)cc(Cl)c1O 2326731201 NUQQVQKEAPHFFJ-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE CCCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)OC)cc1 2328075478 WQAHRUXPPNKPLE-UHFFFAOYSA-N 442.972 4.888 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1N=Cc1ccccc1OC(C)C 2328401045 SJCRZCQVUYUROP-UHFFFAOYSA-N 438.553 4.813 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(SCc2ccccc2F)n1N=Cc1ccco1 2328486190 WLOUAXMPQAAXHW-UHFFFAOYSA-N 437.456 4.684 30 10 IJEE Cc1cccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2cccnc2)c1 2329171852 FPRURJBOBWBCMO-UHFFFAOYSA-N 429.549 4.778 30 10 IJEE Cc1ccccc1C=Nn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1 2330316943 CUPPVHVMTQPVKZ-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1OC 2331408232 LFDDGNNUDIKYST-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE CC(C)c1nnc(SCCO)n1N=Cc1ccccc1OCc1ccccc1Cl 2331711468 OMPSHNBEVOEUNQ-UHFFFAOYSA-N 430.961 4.601 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1ccc(Cl)cc1 2331726172 LCQPNNJMMLXELD-UHFFFAOYSA-N 439.972 4.984 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1OC(=O)CC 2331877448 MHOGKKHHWFHHCZ-UHFFFAOYSA-N 433.844 4.867 30 10 IJEE C=CC[C@H](Oc1cc(Br)nc(CCC)n1)[C@H]1CCN1C(=O)OC(C)(C)C 2335742227 HNYPOXVLWQKRSF-KGLIPLIRSA-N 426.355 4.525 30 10 IJEE CC(C)(C)OC(=O)N1CCC=C[C@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339576131 DUMYXDHNMRHUAJ-KQDNUWKFSA-N 442.365 4.671 30 10 IJEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339602390 JNNTYHOLTLQEAE-YFOSEYIMSA-N 443.397 4.608 30 10 IJEE Cc1cc(Br)c(F)c(Nc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1 2364859085 VMYPEFIXARNZTE-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE C=CCN(CC=C)CCNc1cc(C)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1 1708480 HFEGECKFFAHLBT-UHFFFAOYSA-N 434.375 4.636 30 10 IJEE CCCCSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 9856527 ZKCJADNNKDGEPS-KRWDZBQOSA-N 433.375 4.955 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1ccccc1CC 14125890 ZHEZGSFXSYDTSS-UHFFFAOYSA-N 436.581 4.953 30 10 IJEE C=CCn1c(CNc2cccc3ccccc23)nnc1SCc1nnc(C(F)(F)F)o1 20831008 YVNXYIJKTDUXJY-UHFFFAOYSA-N 446.458 4.924 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1 21077832 PITQQCTXMNOBKS-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE COc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)c1 35444940 YKEDURKYOWDUAD-HXHYHFERSA-N 439.511 4.916 30 10 IJEE C=CCc1ccccc1OCCCn1c([C@@H](C)NC(=O)[C@@H]2CCCO2)nc2ccccc21 40196205 ZLTGJEHJNXHRMK-DVECYGJZSA-N 433.552 4.590 30 10 IJEE O=C1C[C@H](S/C(=N/c2ccc(F)cc2)NCCc2ccccc2)C(=O)N1c1ccccc1 59491146 UZCSBIWMYCUHFQ-QFIPXVFZSA-N 447.535 4.711 30 10 IJEE C=CCOc1cccc(NC(=O)CNc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1 66109122 COQHMKPVYIIAGD-LJQANCHMSA-N 429.520 4.793 30 10 IJEE CCCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NCC)cc2)cc1 100321449 LTSOEVBVURJECF-UHFFFAOYSA-N 441.597 4.912 30 10 IJEE O=c1c(Cl)c(N/N=C\c2ccccc2COc2ccccc2)cnn1-c1ccccc1 169894945 ABLJUJYUEIZAHR-YSMPRRRNSA-N 430.895 4.911 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925419 AMUWWRYMDOFQSX-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccccn1 169991642 QPAZRHICOUJJRU-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccn1 169994478 UYKCAWWQOIEYKV-FQEVSTJZSA-N 449.850 4.735 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2cccc(O)c2)cc1 170079114 IPZUNSHTSMBESM-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccco2)cc1 170096368 CWCYAMIABQUXNZ-QHCPKHFHSA-N 431.488 4.726 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccccn1 170176144 SNXKNTGSNOMMCC-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2CCC)cc1 170215814 YEIQWIUBXXEUGW-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(Cl)cc1 170235614 DKYPLNHVXQMYID-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@@H]1c1ccco1 170294816 HDLIRJDGCKHKHY-IBGZPJMESA-N 433.888 4.719 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1cccs1)c1ccncc1 170349256 DGMUEQCAQDNDAG-KRWDZBQOSA-N 441.306 4.689 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccnc1 170480999 JVQXDAMDSNVTBP-QHCPKHFHSA-N 428.488 4.786 30 10 IJEE C=CCN(C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)c1nc(C(=O)OCC)cs1 434249838 NZNUUTSWHUIVKD-UHFFFAOYSA-N 426.460 4.993 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2cc(OC)c(F)cc2C1 460537974 GHQSKNULFKWNNA-INIZCTEOSA-N 440.494 4.844 30 10 IJEE CCc1noc(COc2ccc(Oc3nc4c(c(C#N)c3C#N)CCCCCC4)cc2)n1 480004285 OOVLGNBOLSKQHL-UHFFFAOYSA-N 429.480 4.801 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2cccc(C#N)c2)cc1 526516076 MPKAQQRUHBSWAM-XMMPIXPASA-N 442.471 4.641 30 10 IJEE CCOc1c(/C=N\n2cnnc2SCc2ccc(Br)cc2)cccc1OC 526819875 NCUIBVWOIAYYBR-JJFYIABZSA-N 447.358 4.622 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 567022122 PUPBLZBVWVIPSH-NRFANRHFSA-N 449.555 4.910 30 10 IJEE N#Cc1ccc(C(=O)N2CCC(Cc3ccc(COCc4ccncc4)cc3)CC2)cc1 575551299 DGRJPOFMAOZUMM-UHFFFAOYSA-N 425.532 4.765 30 10 IJEE Cc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 586308129 KEVVXMZOHPMAPG-UHFFFAOYSA-N 434.517 4.690 30 10 IJEE CCCCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nnc1[C@@H](CC)N(C)C 596224246 DKVXELRSPHWWTK-CXVUKDAWSA-N 448.681 4.502 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C 733196473 COPHLAFCFPNKGJ-FQEVSTJZSA-N 439.968 4.940 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 735308293 GMJWJIKRUAFSFF-UHFFFAOYSA-N 438.742 4.507 30 10 IJEE C=CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)SC1=Nc1ccsc1 790284569 DQRXPFWOFUKIEP-LJQANCHMSA-N 442.610 4.741 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 1124948888 DBUNMTWHBGMANT-XMMPIXPASA-N 431.442 4.871 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2cccc(COCc3ccco3)c2)cc1Br 1125213129 HKSMWHSYNQVXPY-UHFFFAOYSA-N 441.281 4.648 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cc1 1125742661 TWAWLODTNXQQKQ-IYBDPMFKSA-N 432.442 4.583 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCCc3cn(C(C)C)nc32)s1 1127820296 GJWFOVQSKSXGQZ-HNNXBMFYSA-N 425.023 4.810 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCOc1cccc(Cl)c1 1136329817 PEGJWGVAPJIBEJ-QGZVFWFLSA-N 431.360 4.603 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](Nc1ccc(C#N)c(Br)c1F)C1CCCC1 1163179484 PNSWGQZXQOJQJJ-OAHLLOKOSA-N 426.330 4.955 30 10 IJEE N#Cc1ccccc1OC[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 1169341960 HRDBUPOZMHEBTJ-IRXDYDNUSA-N 432.364 4.600 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)c1sc(C(C)C)nc1C 1176739833 WMWYJPOFLZZXGK-UHFFFAOYSA-N 426.460 4.771 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCN(C(C)=O)c3ccccc32)cc1OC 1178195960 JRGIZIYEBIJCIM-IBGZPJMESA-N 445.357 4.610 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@@H]1COCCN1C1CCCC1 1183762892 GGPHJTOPIGMUBD-HNNXBMFYSA-N 442.375 4.558 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC)cc2c(OC)ccnc12)c1ccc(Br)cc1 1208833700 YHTKLZHRHJYPCC-KRWDZBQOSA-N 440.297 4.511 30 10 IJEE C=CCO[C@H]1CCN(C(=O)NCc2ccc(Br)cc2Oc2ccccc2)C1 1221912201 YGWLREDGQODVRO-IBGZPJMESA-N 431.330 4.728 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1)c1ccccc1 1230626105 YBNMYMCIRWUTOP-RBBKRZOGSA-N 431.374 4.749 30 10 IJEE CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2csc(C#N)c2)cc1 1270242142 FONVYLSIJBPXRY-FQEVSTJZSA-N 425.554 4.616 30 10 IJEE C=CCn1cc(C(=O)N(C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)nn1 1270356779 YYTUISRDNZIION-OAQYLSRUSA-N 444.457 4.765 30 10 IJEE C#C[C@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1ccccc1 1277180763 JLLKPNYXOYPNPO-SFHVURJKSA-N 425.257 4.880 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1(OC)CCCCC1 1286282725 PLBHKTVSJTVHNQ-LJQANCHMSA-N 440.588 4.550 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC=C(C(C)(C)C)CC1 1286337714 RGZUFVSQQGNBDN-UHFFFAOYSA-N 430.394 4.642 30 10 IJEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cc(Br)cs1 1286339921 TVVAQYMMTDPRHR-UHFFFAOYSA-N 440.370 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)[C@H](C)CC 1286516932 ATBNGZJBBBWBBS-ISNLERQRSA-N 440.657 4.921 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1Cc1ccc2c(n1)CCCC2 1286583486 NQVZPCZJCPNZHM-UHFFFAOYSA-N 435.547 4.721 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1286643347 GGUNMKZPKLGZJD-VQTJNVASSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2CCC(OC)CC2)CC1 1286643543 MVQIZSFPIQUXPB-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCN2CCCC)CC1 1286648513 FGYWVIAWKMSLAX-QHCPKHFHSA-N 448.615 4.540 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CNC(C)=O)CC1 1286666804 FLDWMJLGJSKIGU-UHFFFAOYSA-N 429.996 4.553 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286685907 WTFIVHIIVFPNCH-HXUWFJFHSA-N 444.023 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)COCC 1286717889 OQZKWXUXKJJSEK-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C)C1CC1 1286731606 BSABQCSXSHGRDS-QZTJIDSGSA-N 432.012 4.793 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@H]1C(C)C 1286746406 XCYYZVWLLYWTKW-ZCYQVOJMSA-N 431.584 4.518 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CC(F)(F)Br 1286748341 WCBBGQSGKOTQRG-UHFFFAOYSA-N 440.267 4.593 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCO[C@@H]1C(=C)C 1286753394 BXKVVXXVDQPFFI-HYBUGGRVSA-N 429.568 4.961 30 10 IJEE CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)s1 1292667189 AHCNTKLQQCSKBN-OAHLLOKOSA-N 449.609 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1scnc1C 1300319774 DWNNFGBQNAOICA-QGZVFWFLSA-N 437.613 4.620 30 10 IJEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1300471515 FINYJGBVIIYGGE-IFMALSPDSA-N 433.600 4.580 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(C)CCCC1 1300545280 MVWMGENFUYNBNW-UHFFFAOYSA-N 439.003 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC=CO1 1300559737 YYGUSYZCEHLUBO-XMMPIXPASA-N 439.563 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCc1cc2ccccc2s1 1300575545 YJTOMHHVXMUKNY-UHFFFAOYSA-N 425.561 4.569 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)C1CCCCC1 1300743061 GMFUINMLPCKDJE-UHFFFAOYSA-N 434.613 4.861 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@@]2(CC=CCC2)C1 1300776130 DUVBTVXXCBKRDV-DEOSSOPVSA-N 440.588 4.689 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCC[C@]2(CC=CCC2)C1 1300776131 DUVBTVXXCBKRDV-XMMPIXPASA-N 440.588 4.689 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1300829455 DFUZOYISIFATTE-BBRMVZONSA-N 426.362 4.945 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1301072280 GWXIFRBUQLXNQC-FQEVSTJZSA-N 444.421 4.513 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301159787 GIRMHJQWPYUPGP-KNQAVFIVSA-N 426.605 4.883 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@H](CC)C1 1301174470 RUGSXWYMJJHLLW-LJQANCHMSA-N 448.036 4.550 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CCN(CCC)C(=O)OC(C)(C)C)C1CC1 1301316324 BENUAISNASBNNZ-UHFFFAOYSA-N 429.565 4.648 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC(F)(F)C1 1301365370 MTHUIQLWKGGLGO-SFHVURJKSA-N 446.571 4.829 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC)n1CCc1nc(C(F)(F)F)cs1 1301402622 OUZJMOJSAVENKS-UHFFFAOYSA-N 435.519 4.794 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1301531753 WPIKEMUYWCWIHV-HSZRJFAPSA-N 448.615 4.745 30 10 IJEE C=CCn1c(SCC(=O)OCC(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 1307282826 UZRILFFAXFNILV-UHFFFAOYSA-N 428.579 4.911 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NCc1ccc(COc2ccccc2)cc1 1307486557 HXEVNOOXSGPVOG-SXOMAYOGSA-N 439.559 4.654 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cc2n1 1311237144 BIVNFPLSRJWIKM-FQEVSTJZSA-N 441.329 4.590 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C1CCCCC1)N(C)C 1311398012 WYMUGPWHTOLVOP-HXUWFJFHSA-N 440.401 4.796 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 1350766400 YPMVVGHUDSZLOA-XMMPIXPASA-N 429.472 4.585 30 10 IJEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1sc(-c2ccccc2)cc1C#N 1354573309 ANNOBAACEZBLBV-KRWDZBQOSA-N 443.594 4.968 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cccc(-n2nc(C)c(CC)c2C)c1 1356182804 PYZYIAAPWUVPBS-UHFFFAOYSA-N 448.519 4.794 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(Cl)cc(F)c2Br)cc(OC)c1OC 1357246592 JKEGTGQHJNTDFJ-UHFFFAOYSA-N 442.712 4.917 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(Cc3cccc(F)c3)CCCCC2)cc1 1357310715 WSFRDGAFYRIVBS-UHFFFAOYSA-N 444.572 4.764 30 10 IJEE C=CCOCCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1357489412 ZGCVLGCACSFZGB-UHFFFAOYSA-N 427.976 4.584 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(F)c(Cl)c1 1358942118 KAFXAEXSWNIJTQ-UHFFFAOYSA-N 439.741 4.679 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCC[C@@H]1OC 1359001794 DEGFRDSFHPRXAY-PMACEKPBSA-N 435.597 4.652 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C1CCCCC1)N(C)C 1359007427 JSVRCQRRKPFTEY-HSZRJFAPSA-N 446.599 4.570 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(F)cn1 1359064145 MAQKEYNOGQOLEZ-WAIKUNEKSA-N 439.922 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCCCCN1CCCC1 1359068319 WMWNWVPLNKANCP-XMMPIXPASA-N 426.008 4.857 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCc2ccccn2)CC1 1359162282 LEIYIBOEBJSWSQ-UHFFFAOYSA-N 433.556 4.537 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2CN(CC)CC)CC1 1359163739 QMPAURUFBYCHHY-UHFFFAOYSA-N 430.600 4.695 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1359168766 IIPZVGPTCKMISH-KRWDZBQOSA-N 448.036 4.685 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1359192681 LJGIJBRFNISLRJ-NJDAHSKKSA-N 440.636 4.874 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1)c1ccccc1 1359193837 KHMOIMBOLYFSRP-GOSISDBHSA-N 444.505 4.997 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1359275319 QBHVTURVAPQYGS-LADGPHEKSA-N 433.600 4.960 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCC(F)(F)F)C1 1359319382 YCLDBYOEQWJTSZ-INIZCTEOSA-N 433.478 4.561 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCC=C(C)C)c1 1435880376 KRIJUULZTQFTTA-UHFFFAOYSA-N 432.973 4.807 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CCCN1C(=O)OC(C)(C)C 1438317537 HNDHPCYKYMMGNZ-AREMUKBSSA-N 444.535 4.961 30 10 IJEE C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc1O2 1457481081 YVRZOFHPPWNCGR-DEOSSOPVSA-N 428.573 4.780 30 10 IJEE COc1ccc(C[C@@H](C)CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1OC 1458529787 FHGUJCVKHMLEQJ-LJQANCHMSA-N 444.531 4.763 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)Cc1ccc(F)cc1 1459403009 DVEUUGRPAWCOFT-DEOSSOPVSA-N 429.495 4.540 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 1459784644 HWYQSIMJTCEQOW-UHFFFAOYSA-N 426.516 4.750 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]2c2ccc(F)cc2)n(Cc2ccc(F)cc2)c1C 1460360943 BWBHDOJHXWSZHE-HSZRJFAPSA-N 434.490 4.689 30 10 IJEE Cc1cc(C(=O)Nc2cc(C(=O)NCC(C)(C)C)ccc2Cl)nn1-c1cccc(C#N)c1 1462719247 BRSDTLVLZLZACP-UHFFFAOYSA-N 449.942 4.734 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](c3ccccc3OC)N3CCCCC3)cc2n1 1467353983 VYGYDWRXPORYBW-QHCPKHFHSA-N 433.556 4.580 30 10 IJEE C#C[C@@H](CC)NC(=O)CN(CCCCC)C(=O)OCC1c2ccccc2-c2ccccc21 1467769956 HNHZWOALENPUIO-FQEVSTJZSA-N 432.564 4.956 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCCCC1(F)F)[C@H]1CCOc2ccc(Br)cc21 1470325860 MJMJAYMYJHOFSM-PBHICJAKSA-N 441.316 4.743 30 10 IJEE C=CCn1c(Sc2cc(C#N)nc(CC)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472647106 SPVSIUDFLOLZES-UHFFFAOYSA-N 445.573 4.995 30 10 IJEE CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1476496452 DOIHCGGBPVDHIF-GOSISDBHSA-N 439.409 4.819 30 10 IJEE C#C[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 1477848281 QYBKOMNNXCNIGW-OAQYLSRUSA-N 434.342 4.771 30 10 IJEE C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1478416773 ACTDBZPQNRVKNJ-JKFKMHIGSA-N 427.552 4.730 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 1478806381 ZABSSFXMNYROPK-RTWAWAEBSA-N 429.358 4.719 30 10 IJEE C#CCCCCn1c(N2CCC[C@H]2c2ccc(CC)o2)nnc1[C@]1(OC(C)C)CCOC1 1507576551 YPANZIXKTWQOTC-OFVILXPXSA-N 440.588 4.619 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@](C)(CC)O1 1507618758 PNISCNKKOGYZSO-KKSFZXQISA-N 437.371 4.581 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCC1CC1 1507796585 MRZIGMFZDZRENO-AZUAARDMSA-N 432.515 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC1(c2ccccc2C)CCOCC1 1507819377 QBOVYBXKNJBEQV-QHCPKHFHSA-N 438.616 4.979 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507827089 SFPHUSXPIRFZNN-IAGOWNOFSA-N 432.410 4.511 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCc2cccc(C)n2)CC1 1507878960 NCNJNDHGOOCDCV-UHFFFAOYSA-N 438.373 4.810 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1507924279 KZMJPOKXXZPPIX-IFMALSPDSA-N 433.600 4.772 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 1507948865 VRKBBIKIEQGLCE-IBGZPJMESA-N 431.378 4.852 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCN1CCCCC1 1507986474 ONEGNYGLAJJGFZ-UHFFFAOYSA-N 438.403 4.662 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@@H]1OC 1508011838 OLICFCHENACARY-GJZGRUSLSA-N 437.407 4.763 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)N1CCC[C@@H](C)C1 1508015199 NCHBAJFXUXAAKS-RTWAWAEBSA-N 445.615 4.634 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCC(F)(F)C1 1508415803 DZHCCZZEGMDLSV-DLBZAZTESA-N 445.514 4.528 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1 1509949351 CORDNHMDAIGXMI-HKUYNNGSSA-N 444.624 4.567 30 10 IJEE C[C@@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCCCC2)CCO1 1512013231 ARSXNWKKMNYVCH-WOJBJXKFSA-N 437.588 4.703 30 10 IJEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(C)(C)C 1520861077 CTANGUBRCJKHMK-SFHVURJKSA-N 425.577 4.559 30 10 IJEE C=C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1521720431 RVOKZOSVEUKYBU-LAUBAEHRSA-N 441.369 4.729 30 10 IJEE CSc1nc(O)c(C(=O)OCc2cc(Cl)c(Br)c(Cl)c2)cc1C#N 1521793655 BSYBBMOTEGVMBA-UHFFFAOYSA-N 448.125 4.807 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2c(F)ccc(Br)c2OC)cc1 1523487166 XFFBDBRWTUXJML-UHFFFAOYSA-N 436.277 4.859 30 10 IJEE C=CCC[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)c1ccccc1 1526450647 AEOFVOYPUQIIJE-WRDKKKNXSA-N 439.600 4.727 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)c(OC)c1 1527031161 KXQGAUZDOCWMMN-UHFFFAOYSA-N 434.492 4.520 30 10 IJEE C=CC[C@H]1N(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CCCC1(C)C 1530839281 KSFSWXBCJGYXIE-JOCHJYFZSA-N 446.657 4.606 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(CN3CCCC3)ccc2C)CCCN1C(=O)OC(C)(C)C 1533417486 BZRUQBGAGAJEPC-VWLOTQADSA-N 427.589 4.875 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc1OC 1533864609 FMJCVBMJTFNINQ-RCLKMUNOSA-N 430.342 4.783 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1)c1ccc(Cl)cc1F 1535504931 OUBOWBDPDCDGDR-ZOCZFRKYSA-N 426.919 4.836 30 10 IJEE Cc1sc(=O)n(CCC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1C 1537445094 FOADBZKNTZUWGE-UHFFFAOYSA-N 444.372 4.845 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC=C(COC)CC1 1539056106 TUQOMWBABNSVHJ-UHFFFAOYSA-N 443.389 4.602 30 10 IJEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(F)(F)F)CC1 1539507241 UYMCTOUUUSGQGT-UHFFFAOYSA-N 445.514 4.638 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1539606475 GLYCNXILCSEREU-KRWDZBQOSA-N 425.415 4.703 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@@H](c3cccc(Cl)c3)C2)nnc1C(C)(C)C 1539642508 QRFCKHAVNXJBCA-TYPHKJRUSA-N 445.007 4.788 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1539643494 WNJRDOFTKLGJJA-WXVUKLJWSA-N 442.579 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@H](C)C1 1539660035 QEMIXJAMBXXZOA-IAGOWNOFSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1539660349 ZBLAEUQTGVKYCN-GOSISDBHSA-N 443.592 4.612 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1539947305 KIJNPDIJOXFPRQ-KRWDZBQOSA-N 430.984 4.661 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](OC(C)(C)C)C1 1540037715 POVKDSUEMRUQEC-SFHVURJKSA-N 448.558 4.524 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 1540119852 LKTDALKZWYZXGP-FYYLOGMGSA-N 442.600 4.587 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1540133471 JWNWTIFMBSRNAQ-IBGZPJMESA-N 427.593 4.536 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCC[C@@H]1OC 1540162076 LFVLUOVQYOTRMU-APWZRJJASA-N 431.378 4.701 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1542447528 KGDMWFOLOVBVRB-FCHUYYIVSA-N 428.573 4.575 30 10 IJEE C=CCn1c(SCC(=O)N2CCC(F)(F)C[C@@H]2C)nnc1-c1ccc(Cl)cc1 1544481325 LAIZQFLKNJGBKO-ZDUSSCGKSA-N 426.920 4.523 30 10 IJEE CCC[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(C#N)C1 1546832745 HPBOQJJLYXHLAF-YNJKOYDBSA-N 439.604 4.716 30 10 IJEE C#CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOc2ccc(Br)cc21 1559544475 YCXSGMZRUWKQHR-SFHVURJKSA-N 437.240 4.595 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cc(F)ccc2OC(F)F)c1 1561213053 YACHVILXHGSTPM-UHFFFAOYSA-N 437.464 4.865 30 10 IJEE C=CCC[C@H](NC(=O)NCC[S@@](=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1564138400 AONFGBOCXLIFIU-WENCNXQZSA-N 438.515 4.961 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1564441878 YIKQYUNWBHAGDH-QUCCMNQESA-N 440.437 4.591 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 1585415968 KABVCDVHFHCNCR-HZPDHXFCSA-N 443.769 4.758 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@@H](SC)C1 1587711954 JJPVVJDKLRBXIF-MRXNPFEDSA-N 436.423 4.561 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CC(OCC)C1 1587909913 XTGBIRLJJNBDDG-JSOIOWGOSA-N 445.007 4.963 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCC[C@H]1CCCCO1 1588284634 XFBCQYBAMJGZMN-LJQANCHMSA-N 431.378 4.516 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H](C)N1CCC(C)CC1 1588473724 SSSMKFRZQVRLEM-LEWJYISDSA-N 425.596 4.691 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1589070444 TUQZBQJRKUOJFY-OAQYLSRUSA-N 445.721 4.714 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCCC[C@@H](SCC)C1 1589116916 PEXLUTJJYWASCI-OAQYLSRUSA-N 444.670 4.644 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1Cc1ccc(OC(C)(C)C)nc1 1589192303 OFXSNIOPQAWTOI-AREMUKBSSA-N 445.567 4.566 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCC(C)(C)C1 1589608986 SSZGNZZZLSPDAC-UHFFFAOYSA-N 447.631 4.860 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(c2ccc(OC)cc2)CCC1 1589687982 WDQGVCBKFXYKKD-UHFFFAOYSA-N 448.615 4.673 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(N2CCCCC2)CC1 1589731484 LVEHXTXUGNEVNF-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 1593703041 BIAMXAPPAOVLBU-LPHOPBHVSA-N 431.378 4.679 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N(C)Cc1ccc(Cl)s1 1593722301 OPQCPRNKNOFHFX-UHFFFAOYSA-N 432.977 4.898 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CCC2)CC1 1593914235 FWAMNXLTOOZQOO-UHFFFAOYSA-N 444.023 4.716 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC=CCO2)CC1 1594208428 IBVVTLHBEUUKQI-HNNXBMFYSA-N 435.391 4.517 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1594455787 VXGVSOCBFQUVBW-IBGZPJMESA-N 447.583 4.793 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC(C)C)CC1 1594692843 IJBJRFQCXQPMSW-UHFFFAOYSA-N 446.437 4.760 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@H](C)C1)C1CC1 1595026217 GWHVHDWMZNPFPL-RBUKOAKNSA-N 444.023 4.958 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)CC)n1CCn1cc(Br)cn1 1595142972 WCYKPHCMONVNTN-HNNXBMFYSA-N 449.422 4.705 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@H]1C)C(C)C 1595165721 LBROZPIOLPJYPB-DENIHFKCSA-N 444.023 4.522 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C)CC1 1595854532 FGVRQVUVRRZTSI-UHFFFAOYSA-N 430.618 4.896 30 10 IJEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(Cl)c1 1597725016 BMCWTIARHYJDKS-WOJBJXKFSA-N 427.980 4.638 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)s1 1612060260 DWOFNVKHEFNIJL-OAQYLSRUSA-N 446.580 4.719 30 10 IJEE COc1ccc(-c2ccn(-c3ccc(S[C@H](C#N)CCc4ccccc4)nn3)n2)cc1 1613752616 DZMAJBWMQHUMTG-NRFANRHFSA-N 427.533 4.955 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SC)C1)C(C)C 1616084385 BQPNAGQSJOZXSL-YADHBBJMSA-N 441.645 4.990 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCCS1 1619456313 ATNMTXJRUXLJRU-SJORKVTESA-N 431.631 4.603 30 10 IJEE Cc1ccc(CCC2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1 1621619123 CZIFFLGOQNGIJB-UHFFFAOYSA-N 436.499 4.919 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H](C)N1CCc2ccccc21 1626553619 CMUIXGGKBZVVMX-INIZCTEOSA-N 431.349 4.944 30 10 IJEE C=CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CCCCC1 1627636309 XUHZOZFOURRJHB-UHFFFAOYSA-N 440.565 4.699 30 10 IJEE C#C[C@H](NC(=O)N(CCCn1ccnc1)Cc1c(F)cccc1Cl)c1ccc(F)cc1 1636547226 AGHVSPPWYBHKJP-QFIPXVFZSA-N 442.897 4.791 30 10 IJEE C#CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)CCCCC1 1639187101 HMHAEJFEEFNOOT-UHFFFAOYSA-N 444.984 4.905 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)cc21 1639693414 BDWYLYPYIXAROH-MRXNPFEDSA-N 429.307 4.521 30 10 IJEE N#CC1(CNC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CCOCC1 1640486918 DMOBWBORHZVDTA-UHFFFAOYSA-N 429.476 4.716 30 10 IJEE C=CCn1c(SCCc2cn(C)nn2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1643381204 JEIOURKUPBYWGR-INIZCTEOSA-N 442.658 4.807 30 10 IJEE CCOC(=O)c1c(NC(=O)CSc2cc(C#N)ccn2)sc(C)c1C[C@H](C)CC 1643640443 GLJONGFMNMLRID-CYBMUJFWSA-N 431.583 4.819 30 10 IJEE C#CCN(C(=O)Cc1csc2ccc(Cl)cc12)C1CCN(C(=O)OC(C)(C)C)CC1 1649381842 DFZBLLDFOWWTER-UHFFFAOYSA-N 447.000 4.959 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 1650774193 NQCGUQHLHZKHHQ-INIZCTEOSA-N 437.740 4.622 30 10 IJEE C=CCn1c(SCc2ccn(-c3c(F)cccc3F)n2)nnc1-c1ccc(OC)cc1 1651596809 OEFPTIRLMBPDCS-UHFFFAOYSA-N 439.491 4.896 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)c1ccccc1 1653396356 DZBGAPWQUNQLPL-SSEXGKCCSA-N 426.538 4.791 30 10 IJEE C=CCOc1c(Br)cc(CNc2cn(-c3ccccc3)nn2)cc1OCC 1657159358 OGBXHUHJPWMDNF-UHFFFAOYSA-N 429.318 4.605 30 10 IJEE C=CCOc1ccc(CNC2CCN(Cc3cccc(Br)c3)CC2)cc1OC 1658119559 LJEBQHFFYUYNQA-UHFFFAOYSA-N 445.401 4.777 30 10 IJEE C#C[C@H](NCc1cc(Br)cc(Br)c1N)c1ccc(Cl)cc1 1658240956 UXSWJYNYERJJFX-HNNXBMFYSA-N 428.555 4.911 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C)cc(I)c1 1661539999 ABNUKZZKISVTMK-UHFFFAOYSA-N 431.277 4.691 30 10 IJEE CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1661860146 FKODCDOSYIYETP-RTWAWAEBSA-N 436.581 4.963 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)c1ccccc1 1665225700 AKIBNNRQTRIRNV-WRHNGFHOSA-N 446.516 4.965 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1ccc(Br)cc1OC 1667568198 MXAPBDUKVSYOIH-SFHVURJKSA-N 447.304 4.978 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1669277519 WJNMWUXWMPOKBU-IBGZPJMESA-N 437.506 4.850 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1)C(C)C 1674145756 QOAJFFPKZGRQFW-NHCUHLMSSA-N 434.422 4.994 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1680280437 NLBIQPYZKFFCNP-NLEAXPPASA-N 449.542 4.917 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(Br)cc1 1681259846 AISQTHHYNAPDMS-GOSISDBHSA-N 435.724 4.947 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccc(F)c(F)c1 1681551884 JDTKQRPPHBZNNJ-IAGOWNOFSA-N 445.457 4.526 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1 1683734041 OOYOISCBHFHNRL-PXDATVDWSA-N 443.588 4.505 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12)c1ccc(Br)cc1 1686773005 LPRIGXKCHUHKIX-JLTOFOAXSA-N 442.332 4.685 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCC1(F)F 1690089805 NCWABYJIAWQODJ-PMACEKPBSA-N 446.517 4.777 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(NC(=O)c2ccco2)cc1 1690206235 KJPVOHPLWQWUMQ-AREMUKBSSA-N 445.567 4.752 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCC1CC1 1690238924 PHWWCEUYLVYNQM-APWZRJJASA-N 448.409 4.643 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C)c1ccccc1 1690322477 GXOHRRRKICZFLD-OFNKIYASSA-N 435.616 4.780 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1690402784 PMWDGCOGWFFDOU-NLFFAJNJSA-N 440.588 4.712 30 10 IJEE C=CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CC1 1690462483 HSMRQQRFLSGXSJ-FQEVSTJZSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690478084 MVUZWKQNQAJKFU-ZWKOTPCHSA-N 443.567 4.790 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCO[C@H]1CCCC[C@@H]1C 1690517042 XWZGMVILFJVCPL-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCC[C@@H](C)C1)C1CC1 1690537315 MLJUTXNELMBWIQ-KNQAVFIVSA-N 437.632 4.922 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCO1 1690605796 YAECPERPGNNADS-SFHVURJKSA-N 430.911 4.745 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCN(C(C)C)C2)C1 1690687473 CAJSSEJPSSUYMQ-SIKLNZKXSA-N 444.023 4.500 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCO[C@@H]2C(=C)C)C1 1690689631 IMBIEODVXKVERN-YRISNDGFSA-N 446.954 4.500 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@@H]1CCCC[C@H]1C 1693641419 FUMNALAEURHIQY-FDKIHUSFSA-N 431.625 4.530 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1)SC 1694262920 HLCPMWMPQVAOPV-OAQYLSRUSA-N 449.628 4.814 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1cc(Br)cs1 1705609212 UHGONMSSIVYLDQ-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cc(F)cc(F)c1 1705695857 KGKMQFQOYMVMSP-UTKZUKDTSA-N 428.483 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1705719209 OXLVSHLXGTUJJI-GOSISDBHSA-N 447.649 4.836 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705722327 GGQFMWVYIBDIDT-FQEVSTJZSA-N 438.576 4.522 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(c2cnn(C)c2)CC1 1705730575 LIVDDMAZJCZCOF-XMMPIXPASA-N 448.615 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nc(C(C)C)cs2)CC1 1705764627 GJQDUDCKTPVUBC-UHFFFAOYSA-N 439.585 4.747 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1705783689 PYMXLXGLINNZFF-IBGZPJMESA-N 445.633 4.636 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1csc(CC)n1)c1ccccc1 1705797112 QFAJTWPNOIURKO-LJQANCHMSA-N 445.596 4.750 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1 1705826666 ZGPSHQJDWJZSGH-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCC1(C)C 1705842548 PYRXLKOXTDRIQF-OALUTQOASA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1Cc1nnc(C(C)(C)C)s1)C1CC1 1705852531 VMNZEQJTCJNWCZ-UHFFFAOYSA-N 428.993 4.951 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@H](OC)C(C)(C)C 1705860019 MEZZCEIOYFCXQA-YADHBBJMSA-N 437.588 4.645 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COC 1705863577 XNVUYRWYMIXEEB-KSEOMHKRSA-N 426.605 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)N1CCC[C@@H](C)C1 1705872522 ALNYSQOHNAPHSF-RTWAWAEBSA-N 430.600 4.792 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCC(C)C)cc2)C1 1705920183 RYFWIIFDTJTRLP-JOCHJYFZSA-N 436.556 4.711 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)SC)C1 1705929882 ZQHUEBJTUHAZAC-NQIIRXRSSA-N 444.645 4.687 30 10 IJEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CC(C)(C)C(C)C 1712008459 HDEMDJROMMOCOH-XMMPIXPASA-N 425.577 4.678 30 10 IJEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)c2cccs2)C1 1712347170 FVKBRMPKIGKKKS-GOSISDBHSA-N 435.597 4.719 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCOC1CCCCC1 1722276644 JGCQEWWBFQXEER-RTBURBONSA-N 428.552 4.755 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCN(C)C(C)C 1722278244 KQBSGBCCTBNECO-SFHVURJKSA-N 436.629 4.565 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1sccc1Br 1722290544 AJTVVMJWQCLJNY-CYBMUJFWSA-N 440.370 4.757 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nc(C)cs1 1722415874 VFMAMKXEFJRMEQ-UHFFFAOYSA-N 444.004 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCc1nccnc1C 1722470757 XMLAJGCYONVMLU-AREMUKBSSA-N 428.584 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)nc1 1722473323 SISFXHXNSIQELM-JOCHJYFZSA-N 426.351 4.611 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1F 1722481058 VZAOKIRMTUSMJE-UHFFFAOYSA-N 436.716 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CC1CCC(F)(F)CC1 1722498257 UERHQOKGHRRIOO-HSZRJFAPSA-N 444.526 4.683 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCC(C)CC2)CC1 1722581771 DIRJZRQHZNPKRT-UHFFFAOYSA-N 425.596 4.532 30 10 IJEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCCSC 1722640989 LNBBJPDYQPBSJH-SFHVURJKSA-N 437.654 4.548 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(C3CCC3)C[C@@H](C)C2)cc1 1722703117 VQFWQXWPMMGBLG-NHCUHLMSSA-N 437.632 4.715 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722734261 XWKODDCEFBBXBE-CALCHBBNSA-N 433.419 4.719 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ncc(C)s2)CC1 1722737809 RQKKWGRKXBAUFL-UHFFFAOYSA-N 440.642 4.717 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC(F)(F)C1 1722868365 BOLNACZQAOISJU-ZDUSSCGKSA-N 425.936 4.865 30 10 IJEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1723236698 BAHORSIGYOLPHQ-OFNKIYASSA-N 442.007 4.713 30 10 IJEE Cc1oc2ccccc2c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1724145330 AGHMHHALLYREGA-DKZVUGQWSA-N 435.572 4.896 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OC)cc1C(F)(F)F 1726965440 FSEIUJGFNIUJJX-VFNWGFHPSA-N 435.494 4.997 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc2c(n1)CCCC2 1740536135 ZPHNDEZLZIEWBR-ZWKOTPCHSA-N 449.986 4.852 30 10 IJEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1740568014 YFASSXZQHGFNDO-WIYYLYMNSA-N 442.007 4.680 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1740576252 TXHSHCWEMHDLPM-BBHUYCHWSA-N 428.621 4.887 30 10 IJEE C#CCCCn1c(N(C)[C@H]2CCc3ccccc32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740597439 OEDYYMMWVYIOEG-VWPQPMDRSA-N 449.599 4.586 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCC[C@H]1CC 1740634456 AWTWKAPDKDISDE-LJQANCHMSA-N 444.410 4.589 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC(=C)CC1 1740719201 BLQYRKZOEZYCSE-UHFFFAOYSA-N 445.032 4.774 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCCC1 1740753130 FWYHPFCVKDUCCM-QFBILLFUSA-N 448.409 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740770656 AXXXPLLTCCTVED-MRXNPFEDSA-N 433.984 4.914 30 10 IJEE C=C(C)Cn1c(N(Cc2ccco2)Cc2cccs2)nnc1[C@]1(OC(C)C)CCOC1 1740784931 CSFJGIFLKHTEOX-QHCPKHFHSA-N 442.585 4.756 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2CC(C)(C)C2)CC1 1740826112 YCNCPRSXNOUAPH-UHFFFAOYSA-N 443.636 4.985 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 1740858108 ILOVMZXVOUOYSK-HXUWFJFHSA-N 441.595 4.978 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCCOC)CC1 1740869494 PHWBJLNCEOAUDC-UHFFFAOYSA-N 426.605 4.841 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CCOc1ccc(Cl)cn1)C1CC1 1740908812 MIYHDYCPQIQSJP-UHFFFAOYSA-N 430.339 4.881 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1CC(C)(C)C1 1740933893 JOMUDJJPYFFPAI-UHFFFAOYSA-N 444.583 4.597 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCSC2(C)C)C1 1740977321 FYQUMPBFXZSBTO-SJORKVTESA-N 433.021 4.912 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCO[C@H]1CCCC[C@H]1C 1743053041 GKZDATFILGJXDL-DXIQSLLYSA-N 448.571 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCC[C@@H]1CC 1748687265 GMYMYVJPHSJOHE-SFTDATJTSA-N 425.646 4.601 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCO[C@@H]1C(C)C 1748908145 ULUOLVYQJCJYJK-BBTUJRGHSA-N 430.980 4.592 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1748935360 QFIHYILTQODYED-XUZZJYLKSA-N 438.616 4.775 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1748983655 XHCBTAZIZITZAJ-LEWJYISDSA-N 445.533 4.556 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C)CC1 1749136811 SCFSUNTWCVIKFW-XTJBDQBJSA-N 438.616 4.680 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1749231538 USGPDVOQNZGRGW-LJQANCHMSA-N 426.561 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)C2CCCCC2)CC1 1749297060 ZFIBYAXQUIWUOP-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1749309824 OMZDGDOTIXUZBP-HSZRJFAPSA-N 433.600 4.896 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCn2nc(C)cc2C)CC1 1749312171 DIWTXSDLJFFUAV-UHFFFAOYSA-N 434.588 4.534 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1749331608 QOJRWEADRPQGCT-PXNSSMCTSA-N 445.405 4.661 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC2CCCCC2)CC1 1749345358 DWSYHZXIUDMKQP-UHFFFAOYSA-N 429.634 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc2[C@@H]1C 1749353952 FIRHGXRBUACKBP-SFHVURJKSA-N 430.556 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1ccccc1CC 1749359685 NITIYCVUOBBNCY-UHFFFAOYSA-N 432.572 4.580 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(CCC#N)CC1CC1 1749420223 ANOBQSQTMZBDIN-UHFFFAOYSA-N 432.341 4.943 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 1749441497 DSCKDPUQYPWFEL-UHFFFAOYSA-N 433.325 4.966 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCN(C)C1CCCCC1 1749467108 GLMUZDGVQFWYKO-UHFFFAOYSA-N 446.437 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(CN2CCCC2)cc1 1749566315 ZAWZWPPMWOEZAZ-UHFFFAOYSA-N 449.002 4.816 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1C[C@H](C)O[C@@H](C)C1 1749573635 RMDDWIJRQSOJPI-OALUTQOASA-N 433.556 4.982 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749622037 LXGMLDNGPHXYIA-GOSISDBHSA-N 444.421 4.514 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCSC2(C)C)C1 1749717045 GALJUZBEBKKTTC-VXKWHMMOSA-N 440.657 4.766 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 1750573520 DRNCWMJLEYGALX-UHFFFAOYSA-N 448.537 4.573 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@H]1CC 1760138257 VDKGGRHCSMETDD-TZIWHRDSSA-N 443.636 4.821 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760366857 KKRPIBAGJNBKAF-SFTDATJTSA-N 444.023 4.705 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1760387174 IZBKHVBYFGWOAK-XZOQPEGZSA-N 440.588 4.851 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(F)F)C1 1760449364 HWHVITVYBFJINF-GOSISDBHSA-N 443.498 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1OCCC1(C)C 1760491303 AXRYZLHAQOKKNW-SFHVURJKSA-N 449.368 4.840 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@H]1CCCCO1 1761359786 AAGXYDYFTNDYIT-UYAOXDASSA-N 434.544 4.688 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccoc1 1761645032 GITGYKUHVRXZCW-OPAMFIHVSA-N 443.910 4.772 30 10 IJEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCO[C@H]2CCCC[C@H]2C)[C@H]1C 1762845115 AWJPJZQARSUCJI-GHDARCQNSA-N 439.629 4.742 30 10 IJEE CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 1772762089 HKZMBIWXGYJLDJ-RJBZNRNUSA-N 428.897 4.837 30 10 IJEE N#Cc1ccccc1NC(=O)c1nc(C(=O)Nc2cccc(C(F)(F)F)c2)n2ccccc12 1858243336 XYCFLZQSHSDVHK-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(N(C)C)cc1 1862381077 RGLXZWLQLWTWNW-LJQANCHMSA-N 431.319 4.824 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(N(CC)CC)cc1 1862421704 OBTLXDJYGQOWDI-NRFANRHFSA-N 426.463 4.575 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCC(C)C)ccc1O 1862434879 JAYKTQHOOYIKDX-HXUWFJFHSA-N 429.900 4.679 30 10 IJEE CCN(CC)c1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C(C)C)cc1 1862463864 YDPARWAEWWTQNZ-NRFANRHFSA-N 446.469 4.937 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862479069 XVQOVMFZLRPKGI-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 1862479776 PTWVKMSLIKHIGF-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862484499 OCMWHXBPETZHFL-YJYMSZOUSA-N 429.900 4.739 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCC4(CC3)OCCO4)[C@@H]2c2ccccc2)c1 1862486498 FLICSGPELXEMDZ-HSZRJFAPSA-N 447.531 4.567 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 1862502269 VNRCTQFRBIFIDT-QHCPKHFHSA-N 430.479 4.870 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc3cc[nH]c3c2)ccc1F 1862504192 OCNHFOIGNWFUQZ-HSZRJFAPSA-N 449.526 4.536 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 1862511087 MAMGZLLCYRZMPL-JOCHJYFZSA-N 441.499 4.920 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(Cl)c2)cc1 1862535497 DIHNFLQZCHBZHT-OAQYLSRUSA-N 427.928 4.906 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 1862605435 UCJZWFQSYDVDCT-XMMPIXPASA-N 441.483 4.545 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 1862673274 LGSRLAYPLPTRNL-JOCHJYFZSA-N 437.417 4.925 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc(Cl)cc(Cl)c1 1862679211 AHAFMVWUSCPDNS-SFHVURJKSA-N 438.282 4.747 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOC)cc1 1862680901 MXLADNAVCJJMJJ-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 1862687337 JSSADCVYVJBMBT-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccc2Br)cc1 1862693238 GFCHLAWKCCVADC-IBGZPJMESA-N 444.325 4.692 30 10 IJEE Cc1ccc(C2=C(Nc3cccc(N(C)C)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1C 1862880049 SLNRJPIULWGXTF-UHFFFAOYSA-N 436.515 4.638 30 10 IJEE COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)cc1Cl 1862918088 LQEIUXXQPIIOSP-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 1862953416 XEUDJQZAQXXFHY-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1863077756 ZLAGNCUHCJEJBF-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(CC)c([N+](=O)[O-])c2)=C(c2cccc3ccccc23)C1=O 1863228596 WBMJARBMOAGAHQ-UHFFFAOYSA-N 427.460 4.688 30 10 IJEE CC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccccc1C#N 1866779517 FVBXDXBYULVKHJ-GOTSBHOMSA-N 447.485 4.892 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(OCC)cc2)cc1 1870141708 GZXGXQRBPPXCMI-UHFFFAOYSA-N 433.512 4.749 30 10 IJEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CNc2ccccc2C)cc1=O 1871011126 YNILPDOUCXIYLD-AREMUKBSSA-N 441.575 4.618 30 10 IJEE C=CCn1nc(C)c(I)c1C(=O)N(c1ccccc1)c1ccccc1 1871336594 RCYQXGDEEBSAJU-UHFFFAOYSA-N 443.288 4.961 30 10 IJEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc1c2CN(CCc2nc3ccccc3[nH]2)CO1 1871349329 OMTNAYKXSWQOPD-QRVIBDJDSA-N 441.462 4.713 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1871911586 RCNQBMXEYKLUHC-HRAATJIYSA-N 434.627 4.985 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871988188 LAAKBYCBHYUVRX-OPAMFIHVSA-N 432.561 4.673 30 10 IJEE C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 1872859143 HOMNXPBQSFUDTN-UHFFFAOYSA-N 441.575 4.998 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC2CCN(C)CC2)=C(c2ccccc2C)C1=O 1873106757 URLFEWMQAIADRS-UHFFFAOYSA-N 439.644 4.899 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2)C(=O)N(CCCCN(C)C)C1=O 1873159150 GZRRGRHGIBFYBZ-UHFFFAOYSA-N 427.633 4.839 30 10 IJEE CCCSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccc(OCC)cc1 1874262006 DAFCHAMZSRLKHJ-ZMOGYAJESA-N 432.496 4.918 30 10 IJEE Cc1ccsc1/C=N/n1c(CC(C)(C)C)nnc1SCC(=O)Nc1ccc(F)cc1 1874437144 MJMBALMSBTUHOD-FSJBWODESA-N 445.589 4.989 30 10 IJEE CCOc1c(/C=N/n2c(SCc3ccccc3)nnc2C(F)(F)F)cccc1OC 1874461387 LCLGMLVNHHZPLR-WYMPLXKRSA-N 436.459 4.879 30 10 IJEE Oc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2-c2ccco2)cc1O 1874468799 YBXIQNVNZAULHK-SSDVNMTOSA-N 426.885 4.777 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2C)nnc1C1CC1 1874518341 ORRJCVBISDMGEP-MFKUBSTISA-N 449.580 4.866 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(Br)cc2)c1OCC(=O)OCC(C)C 1874574365 IUDDWAYPOIAUBW-FMIVXFBMSA-N 447.325 4.932 30 10 IJEE COc1ccc(C)cc1C(=O)/C=C/c1cc(OC)c(OC(=O)c2cncc(C)c2)c(OC)c1 1875143599 IATQGLIFQZFAJX-BQYQJAHWSA-N 447.487 4.840 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2C)cc(Cl)c1OC(=O)COC 1875166841 HKIRXEUAWIQXBK-VQHVLOKHSA-N 432.900 4.812 30 10 IJEE BrC#CCNc1c(Br)cc(Br)cc1Br 1956789732 OAAXIFRGWVJHGN-UHFFFAOYSA-N 446.762 4.742 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC(=O)Nc1ccc(Br)c(C#N)c1)C1CCC1 1964909048 FENQESSZPMIENU-OAHLLOKOSA-N 436.350 4.590 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2O)cc1 2033814601 XAVHSGAGZSIGTE-NRFANRHFSA-N 435.501 4.631 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2035459698 GOFPWKXZQIBAKP-JWQCQUIFSA-N 436.596 4.907 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NC 2047966177 WYQBDFDXEVNRSI-DLBZAZTESA-N 429.786 4.540 30 10 IJEE Cc1ccc([C@H](n2nc(C3(C)CC3)c(C#N)c2I)C2(C)CC2)c(O)c1 2079014244 YIPXZFBTDAUCJA-KRWDZBQOSA-N 447.320 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2ccc(Br)cc2C#N)C1 2106103145 AZYFFXPJZOYKCV-CYBMUJFWSA-N 430.293 4.625 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)cc(Br)c1)NCC 2110497797 KTCHGCCRBLJWQE-ROUUACIJSA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1(C#N)CSCCSC1 2215595078 BSVFYXXQTIXOCU-UHFFFAOYSA-N 429.405 4.933 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CCC 2224263411 WKNDDBURTZBZOY-RHSMWYFYSA-N 429.403 4.566 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2235745201 BJFWUHBQPKTJJQ-RTBURBONSA-N 433.390 4.568 30 10 IJEE C#CC1(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)C1 2244947733 WGGQKDNZQSEOSM-RVSWETABSA-N 444.575 4.858 30 10 IJEE C=CCCC1([C@H](O)c2c(F)ccc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2266318438 RSPUTZYOQXCCGJ-MRXNPFEDSA-N 432.305 4.964 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)[C@H](N)C#Cc1ccc(Br)cc1 2278815771 KAFSPHGOIIZKSU-SJORKVTESA-N 441.435 4.553 30 10 IJEE CC(C)[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2C#N)CCN1C(=O)OC(C)(C)C 2279331201 OGEAWAHZYUHKBV-NVXWUHKLSA-N 436.350 4.541 30 10 IJEE C=CCCC1([C@H](Cc2c(F)cccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2289743833 QUCULAMLCKDFQC-SFHVURJKSA-N 441.385 4.922 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@H](O)C#Cc2cccc(Br)c2)c1 2296221926 NGZDLTYPGFSOSM-HXUWFJFHSA-N 430.342 4.601 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)C#Cc1ccc(Br)cc1 2296273625 QEHOSSPGYBDJNX-LJQANCHMSA-N 426.310 4.736 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)C#Cc3ccc(Br)cc3)CCCC[C@H]12 2296274182 SKNXQHAXZSFCFG-AVRDEDQJSA-N 432.358 4.940 30 10 IJEE C[C@@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccs3)ccc2O1 2297742396 JOPBGYFRAMTGQV-WAIKUNEKSA-N 445.540 4.736 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(NN=CC=Cc3ccccc3)n2)cc1 2313800466 ITQOQXCZJSQBQD-UHFFFAOYSA-N 434.569 4.944 30 10 IJEE N#Cc1ccc(N)c(Sc2cc(I)ccc2Br)c1 2316467730 IGERZQLTZNTMFN-UHFFFAOYSA-N 431.096 4.659 30 10 IJEE CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1N=Cc1cccc2ccccc12 2320956012 DRKMWJGXTHZFQV-UHFFFAOYSA-N 429.549 4.915 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)NCc1ccccc1 2322545638 DGOJXOGLBZHGNF-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccc(F)cc4)c3C)C2=O)cc1OC 2323223057 YVGWPNOLSNUUJM-UHFFFAOYSA-N 448.446 4.916 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)NN=Cc1ccc(OCc2ccccc2)c(Cl)c1 2323423218 SKKDVMDFHIUHGD-UHFFFAOYSA-N 444.940 4.548 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722267 NCLJPPKYDKNGHX-UHFFFAOYSA-N 447.443 4.874 30 10 IJEE CCN(CC)Cc1ccc(COC(=O)C(=O)C=Cc2ccc(Br)cc2F)cc1 2325726708 UHUBFJGPGXBBNX-UHFFFAOYSA-N 448.332 4.756 30 10 IJEE Cc1ccc(OCCCc2nnc(SCCO)n2N=Cc2ccc(C(C)C)cc2)cc1 2327225052 GJIWQLNHEYBWNF-UHFFFAOYSA-N 438.597 4.688 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1 2330471058 XDVCBZUHOSKBQD-UHFFFAOYSA-N 441.560 4.790 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccc(C)cc1 2330778076 VCUAVKKIUIIENL-UHFFFAOYSA-N 429.549 4.550 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC(C)(C)C)n2N=Cc2ccco2)c(C)c1 2330880245 BRBJLLCQKYGELU-UHFFFAOYSA-N 425.558 4.690 30 10 IJEE Oc1ccc(C=Nn2c(SCc3c(F)cccc3Cl)nnc2[C@@H]2CCCO2)c(O)c1 2331017283 UMDVNUWACQDMQF-SFHVURJKSA-N 448.907 4.508 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)Cc3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1 2331273886 VSYYGGJSAGNREJ-UHFFFAOYSA-N 446.415 4.856 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccccc1O 2331326201 LAOQCDMVJYLRNW-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE CCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1N=Cc1sccc1C 2331349292 IBVPQZAYJMFYRW-QGZVFWFLSA-N 441.626 4.842 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1cncc(C)c1 2331392277 LZPMBZWFGNGJKM-UHFFFAOYSA-N 447.487 4.921 30 10 IJEE C=C(C)CSc1nnc(CC(C)C)n1N=Cc1cc(Br)cc(OC)c1O 2331453488 YKOTUZTWDONWNH-UHFFFAOYSA-N 439.379 4.504 30 10 IJEE Cc1ccsc1C=Nn1c(CC(C)C)nnc1SCC(=O)N[C@@H](C)c1ccccc1 2331472654 KWQFRETWBOYINU-KRWDZBQOSA-N 441.626 4.698 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)cc(C)c2OC)cc(Cl)c1OC(=O)COC 2331665837 GZRDXXLPVKTSKZ-UHFFFAOYSA-N 432.900 4.812 30 10 IJEE COc1cc(OC)c(C(=O)C=Cc2cc(OC)c(OC(=O)C3CC3)c(OC)c2)cc1Cl 2331695938 RZCOLRGFGHRBDO-UHFFFAOYSA-N 446.883 4.586 30 10 IJEE CCN[C@H](C#CC1CCC1)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2362717621 NNVMLTAZJDCLKR-UXHICEINSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@@H](O)C#Cc2ccccc2Br)C1(C)C 2370359840 MHXHRXIAUDICML-ZIFCJYIRSA-N 436.390 4.881 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)cc1 33812279 AVOVVJVEZBTNLK-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 38587008 XOWLSKFERIPYCZ-MRXNPFEDSA-N 440.341 4.864 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(N(C)C)cc1 40098425 VXUCVYAAMLEGJQ-QFIPXVFZSA-N 448.519 4.886 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 41502135 KMJFVICMWXIROM-QRVIBDJDSA-N 430.456 4.985 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)S/C1=N\c1ccc(OC)cc1 59108956 JTXWNJVTNKYPHO-PAEYTKSYSA-N 447.919 4.634 30 10 IJEE C[C@@H](Sc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)c1nnc(C2CCC2)o1 59879208 ANYHQQADUUAGDN-XTTRTJGBSA-N 448.350 4.517 30 10 IJEE C=CCc1ccccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 96573808 IYNRXSBCKKZJBA-HHHXNRCGSA-N 442.603 4.562 30 10 IJEE CCCCN(CCCC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccn1 136358327 IMVWBHGONFSZAN-NXLSWJSLSA-N 449.595 4.796 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(OC)c2)c1 169928958 PJGNYXHCQCBDME-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1 169936701 CZTLCMGRXJOASM-NRFANRHFSA-N 430.957 4.652 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)cc2)c1 169959623 PVXAJMVEOAJPDU-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2OC)[C@H]1c1cccc(C)c1 169967055 DBPGQHRHAGHHOP-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3OC)[C@@H]2c2cccc(C)c2)c1 169972669 KGCZVJHNOMMRGE-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccco1 170098290 MDNYABRQZYARFJ-OAQYLSRUSA-N 430.485 4.991 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccs2)cc1 170156829 UQFLAXMGPBCNEG-QFIPXVFZSA-N 447.512 4.865 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)c(C)c1 170186928 QDOBIMAKNCGOAN-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)c(C)c1 170234499 KZDOAJSUILICRU-JOCHJYFZSA-N 439.471 4.663 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccco2)cc1 170285422 KXYFRQREISJMEI-NPMXOYFQSA-N 445.471 4.785 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2sccc2C)c1 170314155 YHXLAINNVXCKDA-NRFANRHFSA-N 447.512 4.919 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)c1 170431872 HBDVRBFWRLUXIM-JOCHJYFZSA-N 437.536 4.993 30 10 IJEE C=CCN(C[C@@H](Cc1ccc(F)c(Br)c1)NCCC)C(=O)OC(C)(C)C 406714301 QMJWEXLYMMCEPK-MRXNPFEDSA-N 429.374 4.922 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc4c(c3)CCCO4)cc2Cl)cc1 438996875 FUUYONBOCAVJPM-UHFFFAOYSA-N 447.878 4.906 30 10 IJEE CCc1nc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)no1 440972660 CROOSXIYUWTEHW-UHFFFAOYSA-N 439.903 4.793 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 460550918 CSCULVHNWAGCIP-BJLXPSRBSA-N 426.561 4.904 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1cccc(Br)c1 479973951 YLFFSWICFWUTEF-UHFFFAOYSA-N 444.354 4.781 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 516958259 NRJNELKLAPKHEK-KRWDZBQOSA-N 434.475 4.687 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(Nc3ccccc3C#N)=C(SCc3ccco3)C2=O)c1 526666088 LLODRHJODBPOBR-UHFFFAOYSA-N 429.501 4.898 30 10 IJEE Cc1nc(-c2ccccc2)sc1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 541908193 SGSBXIVNVGHGTC-UHFFFAOYSA-N 432.484 4.637 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC(c2nccs2)CC1 570347344 ZEPSFJFUZGHIIX-UHFFFAOYSA-N 439.585 4.672 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)Nc2ccc(O)cc2)CC1 572260992 UKEDEUSSMLMCMR-UHFFFAOYSA-N 449.530 4.529 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(CC)CCc1nccs1 581101249 YFUCKFHRLRCBDA-UHFFFAOYSA-N 436.354 4.558 30 10 IJEE CCc1ccc(-n2c(=S)[nH]c(O)c(C=Nc3ccc(Br)cc3C)c2=O)cc1 585145558 YLTUDVWRGDFYLN-UHFFFAOYSA-N 444.354 4.985 30 10 IJEE C=CCN(C(=O)CCCc1cccc(Br)c1)c1nc(C(=O)OCC)cs1 610754301 ZNFLXBSSVPNNHX-UHFFFAOYSA-N 437.359 4.624 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(CC#N)c1 687811587 DPNLBOZWOUVDNF-MHZLTWQESA-N 440.499 4.981 30 10 IJEE COc1ccc(Oc2cc(Br)c(C#N)cc2F)cc1I 712857300 REMISTCLIPAHNY-UHFFFAOYSA-N 448.029 4.865 30 10 IJEE Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 727589272 QTGAQKAHVQJECI-DEOSSOPVSA-N 442.519 4.670 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](Sc2ccccc2)C(C)C)nc1C 731224570 ASNWVVWXPABTOM-HNNXBMFYSA-N 445.639 4.940 30 10 IJEE C=CCn1c(Sc2nc(O)c3ccccc3n2)nc2sc3c(c2c1=O)CCCCC3 731917544 HXIMSHXIZILRGE-UHFFFAOYSA-N 436.562 4.713 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NCC3CCN(Cc4ccccc4)CC3)c2)s1 740037770 FWQNCSPRVRNKRE-UHFFFAOYSA-N 444.604 4.998 30 10 IJEE Cn1c(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1-c1ccccc1 744017167 ZMUOAPJFVBOYLQ-INIZCTEOSA-N 428.517 4.771 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H](O)c3ccc(Cl)c(F)c3)c2)s1 762586154 DEGMCPXNRRLVMG-IBGZPJMESA-N 429.904 4.612 30 10 IJEE COc1ccc([C@@H](NC(=O)CSCc2cc(Cl)ccc2OCC#N)C2CC2)cc1 773437206 BVJDZXYYWMUIBQ-QFIPXVFZSA-N 430.957 4.752 30 10 IJEE CCCCCCCCNC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 780037063 YGSPWOJGBDTDNR-FQEVSTJZSA-N 425.577 4.912 30 10 IJEE C#C[C@@H](NC(=O)c1cc(O)nc2ccc(Br)cc12)c1ccc(Cl)cc1F 804423914 CABQMVAJNXCLJS-MRXNPFEDSA-N 433.664 4.600 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 812184095 KNVSDKCTQPQSRM-REWPJTCUSA-N 445.567 4.663 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCc2ccccc2OC(F)(F)F)n1 1127506128 BKZXDKXNKGOGQF-UHFFFAOYSA-N 434.805 4.867 30 10 IJEE CC(C)COC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)CC1 1129396919 CBULEGHCCBBHOF-QGZVFWFLSA-N 431.602 4.824 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 1129784307 KACNAOWUZXSSIH-HSZRJFAPSA-N 448.588 4.819 30 10 IJEE C=CCC1(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)CCOCC1 1130697944 FGOUMRBEAXIXFB-UHFFFAOYSA-N 429.973 4.963 30 10 IJEE Cn1cc(CN(C(=O)c2cc3ccccc3n2CC#N)c2ccc(Br)cc2)cn1 1133069728 FPYKCVPFMLWQSA-UHFFFAOYSA-N 448.324 4.508 30 10 IJEE C[C@@H](c1ccccc1F)[C@@H](O)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1141718728 HVLXGOCWQOWMEQ-MGPLVRAMSA-N 439.327 4.889 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCN(CC2CCCCC2)CC1 1167115543 FTVQJTXJECSSLC-LJQANCHMSA-N 442.673 4.804 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC=C(c3ccccc3)C2)n(-c2cccc(F)c2)c1C 1170148029 DSOYVOGDQNILLH-UHFFFAOYSA-N 428.511 4.833 30 10 IJEE COc1ccc2c(C)cc3nnc(SCC[C@@](C#N)(C(C)=O)c4ccccc4)n3c2c1 1188029680 BKKPGVNTYWMHLM-XMMPIXPASA-N 430.533 4.732 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)O[C@@H](C4CC4)C3)c2C#N)C1 1193974256 AFXOGXURMSGPJS-XAUMDUMWSA-N 429.630 4.599 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 1204196649 YMYCHTDVWZRNHK-UHFFFAOYSA-N 432.992 4.964 30 10 IJEE C#CCC1(NS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c2)CCC1 1213814284 LAWYUSQHTAUWPP-UHFFFAOYSA-N 438.318 4.605 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 1214474206 QMWXJFJBKCOUEC-UHFFFAOYSA-N 441.597 4.780 30 10 IJEE COc1ccc([C@@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c(OC)c1 1217730909 HMFPERSRBXKXBD-MRXNPFEDSA-N 447.539 4.941 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2COc3ccc(Br)cc32)C(F)(F)F)cc1 1272443645 MMBUZMDYUGQALL-RDJZCZTQSA-N 425.200 4.753 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286357243 ZQAKUJCUKLGVAN-FYYLOGMGSA-N 436.600 4.708 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCc1nc(C)c(C)s1 1286423833 WYHZZGGWNSCHBX-UHFFFAOYSA-N 443.620 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(CC)CC1CC1 1286552342 LXOLHZQWHTXIER-JUXOCIIHSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN([C@H](C)c3ccsc3)CC2)nnc1C(C)(C)C 1286562518 KUFIQGIRGVLVCQ-DYXWJJEUSA-N 443.661 4.502 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(C(F)(F)F)CC1 1286565477 PHXKDIQEWWBMDF-FXAWDEMLSA-N 426.527 4.771 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286569317 MHTFJJYVHWWDEZ-SFHVURJKSA-N 429.565 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCOC[C@@H]1C 1286582757 FJKBKUHWTFNTDO-RBUKOAKNSA-N 430.618 4.654 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC(C#N)CC1 1286622285 DLGZUWRPJKXLRY-UHFFFAOYSA-N 441.160 4.853 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCN(C)C(C)C)CC1 1286637311 BHECRTBEEUTLEU-LJQANCHMSA-N 432.012 4.958 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C)c1ccccc1 1286681875 WBCMJSBMYYDUMV-FCHUYYIVSA-N 437.632 4.677 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286696666 MKMBLLULOOSPMI-SJORKVTESA-N 432.410 4.593 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1286706971 XDEYZOVKXPJOTE-UHFFFAOYSA-N 431.009 4.868 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCSC2)cc1OC 1294919862 BXDRIANMKWISPZ-MSOLQXFVSA-N 443.617 4.624 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCOC1CCCC1 1300277046 VQWGTHGGZRZVGX-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CCC(OC)CC1 1300319694 DMSUTEAXOLBTAJ-VRKFHHGPSA-N 438.616 4.818 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CCc1nc(C(F)(F)F)cs1 1300602043 NOXLBXNEQIVNPA-QGZVFWFLSA-N 447.530 4.998 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2cccnc2OC)CC1 1301065857 KKTJMOQKMQJJRD-KRWDZBQOSA-N 439.947 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](OCCOC)C1 1301143628 LXKHFVCESVXBCG-KRWDZBQOSA-N 436.959 4.582 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCC)C1)c1ccccc1 1301164585 BFSIXVFERHQDFE-LADGPHEKSA-N 431.584 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCc1ccc(O)cc1 1301362434 DZIUOJIWRRBLEQ-UHFFFAOYSA-N 431.565 4.851 30 10 IJEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1303073460 FDJYIINCKZPLHW-UHFFFAOYSA-N 448.615 4.528 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N[C@H](c3ccc(Br)cc3)C3CCC3)C2=O)cc1 1307623080 HMFJQMABBICPAI-VXKWHMMOSA-N 438.369 4.947 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)cc1OC 1308543732 OCBKZOBTKKVCJI-WBVHZDCISA-N 440.378 4.623 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)Cc1ccc(Cl)cc1Br 1309084559 UNRJOGQELRRVOF-UHFFFAOYSA-N 444.778 4.629 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)cc1 1311642114 VFXBZAVNKFSPRM-OAQYLSRUSA-N 427.342 4.802 30 10 IJEE C=CCCC[C@H](NC(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccccc1 1313219939 QUZQHIDVBJVZNV-FSSWDIPSSA-N 427.589 4.982 30 10 IJEE CCO[C@@]1(c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2CC(C)(C)CC)CCOC1 1314103214 BHJYEYQDRCNBBU-SANMLTNESA-N 449.599 4.532 30 10 IJEE CN(C)C1(Cn2c(CCCc3ccccc3)nnc2N2CCC(CC#N)CC2)CCCCC1 1314657384 BCZJCAXAYYHRHU-UHFFFAOYSA-N 448.659 4.848 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H]2CCc3ccccc32)c(C(=O)OCC)c1C 1355007327 DDRJZFBKNXXNTH-INIZCTEOSA-N 427.522 4.635 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 1357148931 QJQYKTYABSCSLP-YPMHNXCESA-N 432.395 4.543 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(CC)s1 1358997926 JYGVDHRPJGPTTH-UHFFFAOYSA-N 432.593 4.609 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCCn1nc(C)cc1C 1359017976 YRVQKHUNCHHQJC-UHFFFAOYSA-N 448.590 4.693 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(CC)CC 1359102590 CXPFNWXZTHHAEH-XXBNENTESA-N 426.605 4.982 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[C@H](Oc3ccccc3Cl)C2)nnc1C(C)(C)C 1359105194 LBVCGTUCYGEKBF-WFXMLNOXSA-N 445.007 4.868 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2c(C)noc2C)CC1 1359160506 WSBFUTVVQOCMJM-SFHVURJKSA-N 425.508 4.561 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCN(CC)C2)CC1 1359182255 YSZZJBWTSCAOII-IBGZPJMESA-N 446.064 4.968 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359198556 UJCSJGUCQDASSK-CRAIPNDOSA-N 442.457 4.681 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1359228153 VGEKYRVOOQUVEY-JOCHJYFZSA-N 445.007 4.510 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)c1ccccn1 1359235332 WATHUAFGDLYFJH-UHFFFAOYSA-N 444.352 4.842 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@H]1CCOC1 1359259434 WJBGHCVGEUESRF-YTFSRNRJSA-N 438.616 4.816 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(C)CCCS2)C1 1359325754 MDZWWTMTQWXHBR-XUZZJYLKSA-N 442.629 4.541 30 10 IJEE C#CCN(C(=O)COc1cccc(Cl)c1C)[C@H]1CCOc2ccc(Br)cc21 1360557052 LWOCAEHWACINOM-SFHVURJKSA-N 448.744 4.775 30 10 IJEE C=CC(C)(C)CC(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1434973252 IIOPXLYQKRBJGF-UHFFFAOYSA-N 430.545 4.784 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1435512104 DTOKVGHMEWSKPZ-NQIIRXRSSA-N 430.335 4.514 30 10 IJEE C=C(C)C[C@H](NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1)C(=O)OCC 1438909452 TZNMOAZUYFCUPH-INIZCTEOSA-N 445.566 4.513 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)cc1 1440891544 DOYUJKWSLLPCAU-SFHVURJKSA-N 432.565 4.604 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1C(=O)OC(C)(C)C 1454286489 STPSLAWLXPPCOK-LJQANCHMSA-N 432.561 4.508 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@H]2C)c1 1457500319 ZWSOEBBBOAXQQE-IAGOWNOFSA-N 432.973 4.592 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@@H]2C)c1 1457500320 ZWSOEBBBOAXQQE-IRXDYDNUSA-N 432.973 4.592 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(-c4ccccc4)s3)ccc2c1=O 1457956402 XKBRMHATCKGOMP-UHFFFAOYSA-N 433.558 4.530 30 10 IJEE C[C@H](NC(=O)COc1ccc(Br)c(C#N)c1)c1ccc(Cl)cc1Cl 1459286775 APWKQTVTJPQXSL-JTQLQIEISA-N 428.113 4.884 30 10 IJEE C=CCCN(C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(OCC)cc1)CC[C@@H](C)C2 1459959334 PJFXKQUAQZYWLR-QGZVFWFLSA-N 440.609 4.949 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1462247695 NHIUEUIJBOXBHQ-RTBURBONSA-N 432.992 4.821 30 10 IJEE C#C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 1463832514 MDVBEVZYCKGEKL-MRXNPFEDSA-N 433.154 4.550 30 10 IJEE CN(C)C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)c1ccc(Cl)cc1 1465220437 BEKISNJVTOPYRZ-OAQYLSRUSA-N 435.915 4.823 30 10 IJEE C=CCC1(NC(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)CCOCC1 1465492781 ZEUVEQQUMRDSQM-UHFFFAOYSA-N 426.538 4.856 30 10 IJEE CN(C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1466272830 BCSRNZFPNATWRM-LJQANCHMSA-N 436.512 4.824 30 10 IJEE CC[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)Oc1ccccc1C(F)(F)F 1469171715 FKDWZCLGFILDQV-OAHLLOKOSA-N 425.838 4.887 30 10 IJEE C#C[C@@H](NC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)c1ccc(Br)cc1 1475874007 SUJGLHSQEPZPBI-KBXCAEBGSA-N 447.402 4.634 30 10 IJEE C#CCOc1ccc(NC(=O)N2C[C@@H](CC)N(C(=O)OCc3ccccc3)C[C@H]2CC)cc1 1476151054 UCFZOPBQZLSMBY-DHIUTWEWSA-N 449.551 4.742 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 1477535743 WOPYKOZLBOWPKA-NRFANRHFSA-N 430.907 4.555 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC)c1ccc(Cl)cc1F 1478899105 AUUHSATYOWMHJO-VQIMIIECSA-N 437.943 4.584 30 10 IJEE CN(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 1503493674 HZRUINWSIOFICA-UHFFFAOYSA-N 439.928 4.721 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](F)C1 1504876693 AKSOQYVAFIQHHX-CTNGQTDRSA-N 437.519 4.509 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 1507682205 LHMCYHQJRZLECA-QFIPXVFZSA-N 449.002 4.599 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(C)(C)C(C)C 1507684387 BHISDQTXBAWYKS-UHFFFAOYSA-N 433.394 4.858 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1cc(Cl)c(OCC)c(OC)c1 1507761637 NEZNBVBWDZEJCG-QMHKHESXSA-N 430.980 4.893 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1507833325 LDMYWAJPYWLUDJ-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2ccccn2)CC1 1507879887 HTBDSINRUQEKFO-LJQANCHMSA-N 436.535 4.611 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1507890090 YBJOGKGGEAMLST-GOSISDBHSA-N 437.613 4.678 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCOC(F)(F)F)CC1 1507906807 MEBNPYGDPUTKOA-UHFFFAOYSA-N 447.461 4.929 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOC(C)(C)C1 1507926311 QZUUFHXCIHRHET-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnnn1C 1507930108 ZCCAJVKLWLRVOQ-UHFFFAOYSA-N 434.375 4.611 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](OCC)C1 1507941170 CLVIRELBBBVHTM-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507956787 RRTWEUIWTIZICS-UHFFFAOYSA-N 440.535 4.739 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN(C)C(=O)OC(C)(C)C 1507968024 NNPWWWSKMGRIQB-LJQANCHMSA-N 443.592 4.524 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1507995158 FKDYVDAHCDSKFU-UQBPGWFLSA-N 441.595 4.662 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2F)n1CCN1CCCCCC1 1508027063 LCBIWYUHEJXDCQ-UHFFFAOYSA-N 437.563 4.788 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC#N 1514035268 FJODGSKQUBVEBF-FUHWJXTLSA-N 432.975 4.740 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@](C)(CC)C2)CCC1 1514359900 FTSAYRVZPBHPMQ-DEOSSOPVSA-N 437.588 4.704 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1519837252 VHFQVGXALCSYOS-UHFFFAOYSA-N 445.306 4.958 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Br)c(C#N)c2C)CCCN1C(=O)OC(C)(C)C 1526122419 QETPOYKTTUBZBU-NRFANRHFSA-N 448.361 4.914 30 10 IJEE Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)C)C2 1527277187 IFBDQRPFLUQJHP-CYBMUJFWSA-N 428.508 4.956 30 10 IJEE Cc1nnnn1-c1ccc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)cc1 1536513570 FCSORZIWNSSRJU-UHFFFAOYSA-N 446.923 4.899 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC2CCC2)c1 1536889124 OQZHYFUSKUOYDC-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1539002354 CGFPJKVVEXTYKV-ODGPQVTHSA-N 429.568 4.583 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C2CC2)C1 1539052847 VGIGUVKGZLETID-KRWDZBQOSA-N 443.389 4.756 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H]2C[C@H]1CO2 1539052996 KOPMVLSWJHZMTH-JBACZVJFSA-N 442.991 4.859 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@]2(CCOC2)C1 1539079716 YZIGSDMMVHRZAE-SANMLTNESA-N 436.600 4.709 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1539132875 CMBBFGLQPQJIGS-UGKGYDQZSA-N 447.410 4.907 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCc2cccnc21 1539148291 OIBWDWZGRHJQGK-IEBWSBKVSA-N 435.959 4.656 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCc1csc(C(C)C)n1 1539196114 BLKAPTFNTOVNKS-UHFFFAOYSA-N 425.627 4.771 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1539497629 NFJRCRQIAKTSAI-VQTJNVASSA-N 445.032 4.749 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(CC)C(C)C 1539578641 AVAMRZNEKQMMNE-MRXNPFEDSA-N 437.382 4.960 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1539595912 HPGPEFMKIVCTJQ-HKUYNNGSSA-N 449.368 4.636 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CCCO)CC1 1539622369 WSHDXBYDJHTAPR-UNMCSNQZSA-N 445.007 4.569 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1539728659 KAVMZBANXUOYKP-NRFANRHFSA-N 440.979 4.538 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(F)(F)C1 1539759496 TYUQLHSLJUIYNF-UHFFFAOYSA-N 434.531 4.727 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1539859482 RAGISORJSFXWRN-AUSIDOKSSA-N 440.613 4.717 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1539966593 LLCZPXFMNBJXOI-FQEVSTJZSA-N 442.583 4.763 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@H](C)C1 1540126852 LSDXBANUUWRLMD-HCUBDLJJSA-N 449.599 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1 1540140457 PPPSRYWECIMLKA-UHFFFAOYSA-N 442.548 4.523 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(CC)(CC)OC)C1 1540886717 IHGLTUIRXSNEAO-QGZVFWFLSA-N 436.959 4.724 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1540916166 SQSSAYIBFQEJPQ-QHCPKHFHSA-N 447.048 4.692 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)NCC1(c2ccc(Cl)cc2)CCC1 1542760487 CNZVNFZQRKKWCG-UHFFFAOYSA-N 433.733 4.591 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(Br)cs1 1543010762 VUYUDBQHNBXCKW-OAHLLOKOSA-N 431.396 4.719 30 10 IJEE CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1554181809 FCNGWJWLXHGTIE-UHFFFAOYSA-N 428.565 4.887 30 10 IJEE COCCC1(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)CCCCC1 1555438817 ABLBVAKXMJYKJJ-NZQKXSOJSA-N 429.609 4.637 30 10 IJEE C#CCN(C(=O)CC1(CSc2ccccc2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370758 SUQJHBZVTAGWAC-UHFFFAOYSA-N 442.625 4.810 30 10 IJEE C=CCn1c(SCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)nnc1C1CC1 1559332249 XSQRXDOLGDCZMJ-UHFFFAOYSA-N 426.586 4.927 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1cccc(C(=O)OC)c1Cl 1559333534 WKVKMBOVRZANEJ-UHFFFAOYSA-N 447.919 4.915 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cc([N+](=O)[O-])ccc2Cl)cc1OC 1560396115 NACHGDKJHJZANA-UHFFFAOYSA-N 441.709 4.874 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 1562304547 QLQQUKZVEPGURC-UHFFFAOYSA-N 431.583 4.720 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(I)cc1OC 1562856014 OURFRMUMFSITEK-UHFFFAOYSA-N 436.293 4.562 30 10 IJEE C#CCN(C(=O)NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)C1CCN(C)CC1 1565278089 JEGPBPHEKIHSSE-UHFFFAOYSA-N 447.913 4.650 30 10 IJEE C#CCN(C(=O)CCOc1cccc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1586216288 CRLNBDNACMROQX-LJQANCHMSA-N 448.744 4.857 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)C(F)(F)F)cc1 1587315157 GGJSYXJPVWQCMQ-OAQYLSRUSA-N 435.405 4.921 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1587883713 JVWRLFFFTPVUTG-RXVVDRJESA-N 433.383 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCc2ccccc21 1589687558 ITDPLLCFRLLYSH-FQEVSTJZSA-N 449.624 4.792 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1F 1589694477 KPCYVUJJHWZHNJ-KDURUIRLSA-N 443.567 4.639 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCOCC(F)F)CC1 1594208382 GKIWUWAYAXNMNB-UHFFFAOYSA-N 440.922 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC=C(C)CC1 1594491995 QJQUEMDPEPJKJA-UHFFFAOYSA-N 446.599 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1594492417 ZRBXEMALLMPPDK-KRWDZBQOSA-N 429.559 4.919 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2ccsc2)CC1 1594572417 AMKHSRAICNSFBU-UHFFFAOYSA-N 437.613 4.694 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C)(c2nc(C)no2)CC1 1594708886 AGUWFAXRBLCTMY-UHFFFAOYSA-N 426.952 4.814 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)N1CCC(C)CC1 1594858312 YHNUCHWKXZWBRE-OALUTQOASA-N 432.012 4.814 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1Cc1ccncc1Cl 1595076262 ZAWQHXMQSMIFBH-UHFFFAOYSA-N 446.942 4.638 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccc(F)cc1 1595142018 OGJXDUNGNCQQJW-QHCPKHFHSA-N 428.577 4.877 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CSCCS1 1595178615 LXRBPYHHQXNQEG-GOSISDBHSA-N 437.638 4.829 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1C[C@@H]1C 1595233960 AWGBXGJRTXFLOK-FUHWJXTLSA-N 440.389 4.927 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 1596854080 MEDIERYJFMCEKF-PXNSSMCTSA-N 438.996 4.947 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1597008587 XNGVDSXHSYBFQL-NOZRDPDXSA-N 426.988 4.802 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(Sc2ccccn2)c1 1611125225 XLPIBBJBYCTUSW-OAHLLOKOSA-N 434.949 4.602 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)c1 1613573655 HCRXKOXSSJMDQR-UHFFFAOYSA-N 431.565 4.616 30 10 IJEE O=C1CS/C(=N/N=C2\Oc3ccccc3[CH][C@H]2c2ccccc2)N1Cc1ccccc1 1614732986 LUPRBALIQZTAQH-YRKUEKGHSA-N 426.521 4.860 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](COc2ccccc2)c2ccccc2)c(C(F)(F)F)c1 1621769204 CDVYGLZSYAREEJ-HXUWFJFHSA-N 446.450 4.676 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cnn(Cc2ccccc2)c1Br 1625286063 RNEPDQWJQIKAQD-UHFFFAOYSA-N 440.341 4.844 30 10 IJEE C=CC[C@]1(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)CCCN1C(=O)OC(C)(C)C 1626117680 XHVRGXNIXJTKSP-JOCHJYFZSA-N 433.574 4.583 30 10 IJEE N#Cc1c(F)cc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1F 1626188730 HYYZXGVESWIMBM-UHFFFAOYSA-N 428.332 4.836 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cccc(-c2cn(C)nn2)c1 1626428246 JOLBLXDPERYPEJ-UHFFFAOYSA-N 444.308 4.604 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc(OCCOC)c(Br)c1 1627947540 MNOVNXJQTSLPQM-UHFFFAOYSA-N 433.346 4.737 30 10 IJEE C=CCSc1ccccc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1628696334 XFFGCTKVSLTFQJ-UHFFFAOYSA-N 425.432 4.734 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 1628874025 WAQVDVRNASWANH-UHFFFAOYSA-N 433.533 4.531 30 10 IJEE CCCN(CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)OC(C)(C)C 1631945954 HLMQNIWYXDAWHP-UHFFFAOYSA-N 437.540 4.922 30 10 IJEE C=C(C)COCCNC(=O)N[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1633050449 XHYULARNEPHFDN-HXUWFJFHSA-N 440.437 4.857 30 10 IJEE C#CCC1(O)CCN(C(=O)C/C(=C\c2cccc(OC)c2)c2nc3ccccc3s2)CC1 1633141118 RQTJMUBAVCCIJB-CAPFRKAQSA-N 446.572 4.612 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C)C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 1640819572 CZGQSQYCMXDNCX-INIZCTEOSA-N 441.622 4.967 30 10 IJEE Cc1cc(N2CCCN(c3ccccc3C#N)CC2)nc(-c2ccc(Br)cc2)n1 1651484265 AFJOEVBYSRAHNR-UHFFFAOYSA-N 448.368 4.803 30 10 IJEE C=CCN(Cc1cc(Br)cc(C)c1O)[C@@H](Cc1ccccc1)C(=O)OCC 1652206361 JDDCANXLUARKIU-FQEVSTJZSA-N 432.358 4.626 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)cc1 1658320980 PRCPQRIDTIMIII-IPHXSNPTSA-N 447.988 4.665 30 10 IJEE COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCN(c2ccc(C#N)cc2Cl)CC1 1658457850 BNWSNEWARVBMMM-IBGZPJMESA-N 438.742 4.555 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C1CCOCC1 1674597243 PQBSNPFEFSIPAM-RUZDIDTESA-N 434.580 4.761 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21 1675008916 SCAUIVYJIJIWQQ-SESVDKBCSA-N 427.342 4.807 30 10 IJEE C#CCN(C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)[C@H]1CCOc2ccc(Br)cc21 1677041918 VDPKKFDOSHEVEL-ISTRZQFTSA-N 447.295 4.895 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)NCc3ccc(COc4ccc(F)cc4)cc3)CCO2)c1 1683419300 FXCJCAHUDIYRGV-VWLOTQADSA-N 445.494 4.559 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 1683681218 MOAMVDJUOSGRCP-QGZVFWFLSA-N 425.248 4.984 30 10 IJEE C=CCCC[C@H](NC(=O)N1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)c1ccccc1 1683734042 OOYOISCBHFHNRL-SQJMNOBHSA-N 443.588 4.505 30 10 IJEE C=C(C)[C@H](NC(=O)N1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1686173367 HABBBTWQKFBZEC-NVVBAYIOSA-N 435.515 4.671 30 10 IJEE C#CCN(C(=O)NCCc1ccc(C)c(C)c1)[C@H]1CCOc2ccc(Br)cc21 1687001626 GGXGMLWWMJHEFM-NRFANRHFSA-N 441.369 4.777 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(C)CCCO1 1690259722 UGDZJUXLQJIRAY-NRFANRHFSA-N 433.394 4.988 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1CCC 1690262996 WHAZDTYIKBALTL-WIYYLYMNSA-N 434.588 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)C(F)(F)F 1690271548 UDCZWCJYJCWGHA-UHFFFAOYSA-N 426.483 4.857 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2ccccc2F)CC1 1690413521 WGRNCFIKFYEBAF-MRXNPFEDSA-N 441.576 4.643 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCCCC1 1690553674 CLPKRCPAQPPQHU-OAQYLSRUSA-N 439.648 4.899 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](C)C1 1690561245 IRGNHSZVHDVRHQ-YADARESESA-N 443.599 4.640 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccccc1COC 1690576376 YSXIOFXVHQALJY-UHFFFAOYSA-N 433.581 4.732 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@H](c1c(F)cccc1F)N(C)C 1690577021 ACWBGPDXKUSRAD-HXUWFJFHSA-N 443.567 4.991 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1690740430 VKYCZWVCRUHPIW-IAGOWNOFSA-N 427.643 4.686 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)C)n1Cc1c(F)cccc1N1CCCC1 1692343465 HHOWFFFTZHPYCI-UHFFFAOYSA-N 426.584 4.955 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1705518069 DYPDGOMKPKNJBZ-MRXNPFEDSA-N 442.658 4.962 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC(C)(C)C1 1705530940 SEIFKTWQROFTRR-UHFFFAOYSA-N 431.378 4.756 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccccc1)C1CC1 1705558475 YBQAIIKYRKMXJI-VXKWHMMOSA-N 449.599 4.613 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1705655418 MBOIVKFXSMZNAW-MJGOQNOKSA-N 446.567 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCN(C(C)C)C1 1705676747 NDTIHMMHUDVVCX-SHQCIBLASA-N 433.644 4.566 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1705690049 JGGAFCFJMKWHDO-UHFFFAOYSA-N 447.274 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCOC[C@H]1C 1705712605 ACBOERPZUBQSGI-CABCVRRESA-N 439.423 4.844 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1705735473 RPQCLZRFRMRVRG-NRFANRHFSA-N 429.653 4.619 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1705778571 BEZVJXBQDRDHKV-DEOSSOPVSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC[C@@H]1C 1705795242 FRFPIKSVFVHYCP-ROUUACIJSA-N 449.665 4.894 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 1705808225 DRXIBIRNXCQFGS-FQEVSTJZSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](CN(CC)CC)C1 1705814124 DJNKNSFGNSLGDP-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1705822728 PCBBMGHMLUPWMD-OAHLLOKOSA-N 445.539 4.711 30 10 IJEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 1705847722 CSOFDJOXIPTWNV-WMLDXEAASA-N 427.515 4.645 30 10 IJEE C=CCN(CC=C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCn2cc(C)nc21 1705876658 FRFKWYAMYOCSSB-JOCHJYFZSA-N 446.599 4.735 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1705887438 HDHBRSLMEVWASA-UHFFFAOYSA-N 446.437 4.760 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1CCCCO1 1712792739 CGFKVEJWSBEUJE-RXVVDRJESA-N 427.618 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCSC1(C)C 1722287959 ULPKVGNTTSCLEC-GJZGRUSLSA-N 433.419 4.697 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCCCOC 1722467320 QKBWTRIQMSKINU-WZONZLPQSA-N 430.980 4.880 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(CC)Cc1ccccc1C 1722488258 DOAXYLJBKVUBBU-UHFFFAOYSA-N 426.362 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1722490706 CCBUUYIGZHKFJM-MDZRGWNJSA-N 437.009 4.676 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1722529833 DWSXRLZMJZRVLE-KNQAVFIVSA-N 438.597 4.874 30 10 IJEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722607198 PADYSDDPDQDJOK-LPHOPBHVSA-N 436.343 4.840 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C2CCCC2)CC1 1722682922 SBNYWMDNMRBYNH-IBGZPJMESA-N 444.023 4.939 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1 1722738977 CXTWGMXRDMRPEV-GOSISDBHSA-N 430.618 4.657 30 10 IJEE C=CCSCCn1c(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nnc1C(C)(C)C 1722739351 HTWJDGXSMXNZIA-UHFFFAOYSA-N 430.462 4.816 30 10 IJEE CCC(CC)(Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC#N)CC1)OC 1727151509 GJVHTCKUIHSXRR-UHFFFAOYSA-N 434.588 4.616 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)on1 1727166915 DVWMVFIWZJTWMX-KRWDZBQOSA-N 448.571 4.760 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@@H](C)C1 1740636058 PAKHALDFIBMZGC-NHCUHLMSSA-N 428.536 4.626 30 10 IJEE C=C(Br)Cn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1740748507 GTADLXOGKOHMTK-QFBILLFUSA-N 445.405 4.518 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1740835656 NIVKTXMJBKMINN-NZQKXSOJSA-N 425.533 4.603 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(Cc1ccccc1)CC1CCOCC1 1740846247 SBGUHDVORAMSHY-UHFFFAOYSA-N 446.599 4.771 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1740869804 ABFSNSBTOPXUCW-AUUYWEPGSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1740918358 OUBSXXQCHVQHOJ-RBZQAINGSA-N 438.616 4.816 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@](C)(CC)O1 1740919487 HWCCCMFEBJMZAU-NLFFAJNJSA-N 437.563 4.963 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1CCN(CCC)CC1 1740920057 BIXJDMVVQMDFLL-HSZRJFAPSA-N 441.595 4.583 30 10 IJEE C[C@H]1C[C@H](CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CCO1 1742941924 CPWLUXXKOCJBNS-DLBZAZTESA-N 447.505 4.801 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN1CCCCCC1=O 1748654525 JJOXWSOHPIXDOP-MRXNPFEDSA-N 448.398 4.503 30 10 IJEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCCc2sccc2C1 1748726984 LIJDXIUOLGDXQS-UHFFFAOYSA-N 436.581 4.684 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1748773683 BLNFWIWBWHIALX-SFTDATJTSA-N 444.627 4.629 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1c1ccco1 1749047293 UDGNFEDLMALSLH-NRFANRHFSA-N 436.581 4.775 30 10 IJEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)CCc1cccs1 1749170158 GGBRQZQMPFBVEJ-UHFFFAOYSA-N 444.004 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCOCC(=C)C)CC1 1749335111 ORQNNINGQWXPAZ-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC)c(Br)c2)CC1 1749342092 VQJOEKRQXWGQRE-UHFFFAOYSA-N 431.378 4.767 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(C)C)C1 1749375885 KPJIKDBPHGJJCP-QFIPXVFZSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCSC1 1749530354 ZQAMPRQOOAJQLR-NRFANRHFSA-N 449.624 4.608 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC=C(C)C1 1760132144 DHRSEIADTVUOIB-UHFFFAOYSA-N 429.362 4.676 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760154028 MAHOSYWATZPZML-UHFFFAOYSA-N 449.986 4.687 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCc1sccc1C 1760216959 IWPGJJRHCSSNPH-UHFFFAOYSA-N 427.577 4.512 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1CCc2ccccc21 1760225813 AIEHWYGXYCWNFB-KRWDZBQOSA-N 438.373 4.615 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)c1nc(C)cs1 1760291305 JUQDLXYBHPSWCL-SPLOXXLWSA-N 426.977 4.554 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1760331826 ZSTOETZBZJFVJF-NZQKXSOJSA-N 432.572 4.719 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC1(c2cccc(OC)c2)CC1 1760339351 FPRSUIDQFWHVBM-UHFFFAOYSA-N 437.613 4.777 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1760342262 CYZCGCYCVWYYFK-VWLOTQADSA-N 438.572 4.874 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1760359210 IRQYDULYNHWREU-JOCHJYFZSA-N 437.613 4.604 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760378356 HWZFFZURZVWTSM-YLJYHZDGSA-N 444.988 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCCOC2)C1 1760413243 BSGXNNKTKOQIRD-DEOSSOPVSA-N 430.543 4.756 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1760416340 ASBHTSDDCLFEPK-XZOQPEGZSA-N 437.632 4.690 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1760426246 KUADZYHHODIRCM-UHFFFAOYSA-N 438.526 4.610 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@@H](OC)C(F)(F)F 1760455948 CUBCNAIXQPIODY-SJLPKXTDSA-N 426.483 4.625 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCC1(F)F 1760478379 FYRYJEYXXAKJPU-PMACEKPBSA-N 446.542 4.809 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(C)(C)C)CCN1CC(F)(F)F 1763081322 FFXGVCPFANODCA-KRWDZBQOSA-N 448.537 4.716 30 10 IJEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCC2CCC(OC)CC2)cc1 1770037489 BLGYYEHYHOABLP-UHFFFAOYSA-N 437.588 4.679 30 10 IJEE N#Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)c2)cc1 1860888215 SLTCMDNYYKEDSP-HSZRJFAPSA-N 438.531 4.661 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCN(C)C)cc1 1862429653 RMHYDWMLWAZRJI-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(N(CC)CC)cc1 1862462615 HXKLNOYFDMKHQI-OAQYLSRUSA-N 446.469 4.938 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862481453 AKQHYPYNUZWHSH-XMMPIXPASA-N 442.515 4.749 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc3c(c2)OCCO3)c1 1862495456 YUTXSTIOXGYWSP-DEOSSOPVSA-N 447.531 4.986 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1Br 1862599123 CEYRUDRWHYECRC-SFHVURJKSA-N 430.298 4.533 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(F)cccc1Cl 1862630915 DOZHHRUUGOVAOC-NSPYISDASA-N 431.847 4.585 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 1862725719 PXJLFKTWJFDZPE-QHCPKHFHSA-N 447.918 4.968 30 10 IJEE CCOc1ccc(C2=C(Nc3cc(C)cc(C)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862835474 PJOLMRALYLOFOR-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccccc3F)C2=O)c1 1862930469 KXZXAIQKBDYIKT-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(c3ccc(F)cc3F)C2=O)cc1 1862945957 PEYCALGBENPSAZ-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1ccccc1C 1864994595 UBOCQXIJCQMPOD-QFIPXVFZSA-N 438.616 4.988 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCC[C@@H](C)C1 1870527815 JJWWMXLUIDWTDA-FGZHOGPDSA-N 447.664 4.734 30 10 IJEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN(CCC)CCCC)cc1=O 1870563618 IYRAVAGXSRHEQV-AREMUKBSSA-N 449.639 4.710 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(C)c(F)c1 1870972274 RPKLWXJGSRBNIK-UHFFFAOYSA-N 445.579 4.783 30 10 IJEE C#CCOc1cn(CCCOCC)c(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1=O 1871005027 LEKVUCVMKAOTKZ-UHFFFAOYSA-N 442.865 4.571 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871007262 SSQYEFSZBPNNMF-UHFFFAOYSA-N 441.575 4.819 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871370266 IDZQKAUJTNQHQQ-QRVIBDJDSA-N 430.456 4.913 30 10 IJEE C=CCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871659543 NOAVORWPEWPGPK-UHFFFAOYSA-N 436.563 4.862 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871897241 VLCDUUWYKJKZEH-OAQYLSRUSA-N 444.597 4.523 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1871987681 JLBVGUQCBZVKJY-QRWLVFNGSA-N 438.952 4.709 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1872060649 IJDVIIYHRTXGKH-HXUWFJFHSA-N 438.952 4.628 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872108886 KRFMDDARFZCRTN-AOMKIAJQSA-N 443.544 4.537 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872242806 ZJCPIGVWYXDOLM-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE Cc1nc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c(C#N)c(C)c1C 1872895533 ZNXXPVCUHCAIBZ-UHFFFAOYSA-N 445.544 4.830 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(N(C)C)cc1)n2CCCC 1873656467 ARYGYNCABOGAKK-UHFFFAOYSA-N 432.572 4.728 30 10 IJEE Cc1ccc(C(=O)N2[C@H](c3ccccc3)SC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 1873867777 XRYWRMKRHNJBPH-DHLKQENFSA-N 427.529 4.762 30 10 IJEE CSc1nnc(CCCOc2ccc3ccccc3c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874197992 JNUKRTLYRZKNSC-LFVJCYFKSA-N 447.520 4.955 30 10 IJEE COc1cccc(/C=N/n2c(CCCOc3ccc(Cl)cc3)nnc2SC)c1OC 1874212283 FHUVITDNGMHNKM-OEAKJJBVSA-N 446.960 4.564 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccccc1Cl 1874221625 UQCQFRJWMDHIBQ-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE CCCOc1cccc(/C=N/n2c(COc3ccccc3OCC)nnc2SC)c1 1874239382 FIMWHBZNICZQHH-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCOc1cc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)ccc1O 1874446442 ZJBHKAIWADEOLC-NZYROCMPSA-N 442.516 4.548 30 10 IJEE COCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccc1OC(C)C 1874469928 FAWHMILQQOYPNA-ZVHZXABRSA-N 428.533 4.568 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 1874492624 WLHFRRMUXMONBX-JHKMYFMNSA-N 449.624 4.891 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2cc(C)ccc2O)c1 1874493945 MLBOPTLMRPTKMB-DHRITJCHSA-N 449.580 4.789 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1874561235 JLJOIYALCMOIIW-WBILBPDKSA-N 446.507 4.959 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccccc2C)cc1OCC 1874567248 MYZCTZSPBJUXIH-LFVJCYFKSA-N 440.569 4.566 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCO)c2ccccc12 1874592171 QPUAURHKQNELOA-RMKNXTFCSA-N 427.294 4.878 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874597439 MPMPRMXXCAUHIO-PKNBQFBNSA-N 429.472 4.946 30 10 IJEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)cc1 1874630130 MONRUROFMIRPAZ-FMIVXFBMSA-N 431.916 4.501 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)c3cnccn3)c(OC)c2)cc1C 1875107148 CGKWRFPURQITQB-GQCTYLIASA-N 438.867 4.571 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccn3)c([N+](=O)[O-])c2)cc1 1875138323 LZRVXWYVNRJYAD-WUXMJOGZSA-N 432.432 4.894 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(Br)ccc3C)ccc21 1890532220 MACOEHCVHHIRBD-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE COc1cc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)ccc1OCC(C)C 1891141636 PMSRMBQMWXRWRM-UHFFFAOYSA-N 435.442 4.561 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1c(F)c(F)c(F)c(F)c1F 1891983092 UMDCOPUTYVROTL-UHFFFAOYSA-N 438.274 4.605 30 10 IJEE N#Cc1cccc([C@@]2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 1951716077 WBHJJNSOAOMLEM-HHHXNRCGSA-N 438.483 4.535 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)C1(O)[C@H](C)CN(Cc2ccccc2)C[C@H]1C 2037991499 XYUHBPWEQUDODR-OASJLCFRSA-N 436.640 4.647 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1 2057574331 WBRLRDUCQUSZJY-IMWIBFENSA-N 443.544 4.728 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Cl)ccc1Br)NCC 2089286436 NYVAHGDNKKYMKX-ROUUACIJSA-N 443.813 4.930 30 10 IJEE CN1C[C@@H]2CCC[C@](C#N)(N(C(=O)OC(C)(C)C)c3ccc(Br)cc3)[C@H]2C1 2152859501 ZCWZMTLOLCLBKU-UQASEVPWSA-N 434.378 4.815 30 10 IJEE CC[C@H]1CN(Cc2ccc(Br)cc2C#N)[C@H](CC)CN1C(=O)OC(C)(C)C 2174563143 RUGPOOGAPUJFKN-MOPGFXCFSA-N 436.394 4.931 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)cc(F)c2C#N)CC2(CCC2)C1 2174813811 ALIDOLAENRDFME-CQSZACIVSA-N 438.341 4.734 30 10 IJEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1cc(Br)ccc1C#N 2181145850 CFVAHQSIJDAGBC-INIZCTEOSA-N 438.366 4.835 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(F)cc(F)cc1Br 2225599788 IPWWGAPEMLGCAG-RDJZCZTQSA-N 431.321 4.685 30 10 IJEE Cc1ccc(C(=O)[C@@H](C#N)c2ccc(Br)cc2)cc1I 2232424901 WQAPTDKWFVXMTK-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE C=CCC1([C@H](NCCC)c2cc(Br)nn2CC)CN(C(=O)OC(C)(C)C)C1 2232460563 ADCCLNVRXWRSJD-QGZVFWFLSA-N 441.414 4.519 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C 2235730472 VGRYTFDCXQCQHP-WBVHZDCISA-N 445.348 4.669 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)C#Cc1cccc(Br)c1)Cc1ccccc1 2242571573 KQVVUDJGBNALIG-UHFFFAOYSA-N 428.326 4.807 30 10 IJEE CC1(C)C[C@H](NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)CCN1Cc1ccccc1 2255800805 HOVMMCUDORPJLZ-HXUWFJFHSA-N 426.410 4.562 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2262203024 CEOKHMLHIZJJMU-SQJMNOBHSA-N 447.572 4.655 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CN(C(=O)OC(C)(C)C)C12CCCCC2 2262205330 LCFVNRBYRJWSNW-RUZDIDTESA-N 445.556 4.553 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CC(F)(F)F)C(=O)C#Cc1ccc(Br)cc1 2278791081 WKCIMFYBEOEORU-KRWDZBQOSA-N 434.252 4.606 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@H](N)C#Cc2cccc(Br)c2)CC1 2296270612 ADPPQBMUUOTBOS-AFMYVXGZSA-N 435.406 4.849 30 10 IJEE Cc1ccc([C@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 2296557206 YTCMKJVEEKPKAV-QHCPKHFHSA-N 428.488 4.804 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301437974 SJOFOYPSEGMGCL-DNVJHFABSA-N 428.617 4.904 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1F 2314477611 JRWLQRSZBBJCTF-XMMPIXPASA-N 436.527 4.536 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(O)c1 2314478329 RVWLVZKDMRKYRT-VWLOTQADSA-N 425.484 4.613 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 2321068727 OEUKNCBMINQZPG-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE CCCOC(=O)COc1c(OC)cc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1OC 2323419795 BYIWPSNJSBYKPX-UHFFFAOYSA-N 438.520 4.811 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 2323628082 KTUCLSOYJGVAHU-UHFFFAOYSA-N 447.487 4.626 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2323790826 NONTZEUEWRNXHC-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(CN4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c1 2324055231 VCQSJOREBCIBLQ-HZPDHXFCSA-N 437.536 4.812 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1[N+](=O)[O-] 2324536981 ANZBMYMKQATMFC-UHFFFAOYSA-N 447.871 4.793 30 10 IJEE CCCCOC(=O)c1cccc(NC(=O)C(=O)C=Cc2ccc(OCCC)c(OC)c2)c1 2325649332 RCLBUNPNQJZQGC-UHFFFAOYSA-N 439.508 4.662 30 10 IJEE COc1ccc(CC(=O)Oc2cc(C=CC(=O)c3ccccc3OC)ccc2OC)cc1 2325722662 ACXXYNCQAFZGDE-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OC(=O)COc3ccc(OC)cc3)c2)cc1 2325735032 UKVJWAAHZTXEAS-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1N=Cc1ccc(OC)c(O)c1 2328945722 CNUOJDXVTRWQNN-UHFFFAOYSA-N 436.581 4.945 30 10 IJEE COC(=O)c1ccc(CSc2nnc([C@H](C)c3ccccc3)n2N=Cc2ccccc2)o1 2330101940 LSOODDVSCVYCIF-QGZVFWFLSA-N 446.532 4.984 30 10 IJEE CCN1C(=O)COc2ccc(C(=NOCCCOc3ccc(Cl)cc3)C3CC3)cc21 2330343367 WXCLTYNMSQNGQG-UHFFFAOYSA-N 428.916 4.685 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1OC 2330710838 UEZCEOJTZQVVQZ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCCCC(=O)Oc1c(OC)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1OC 2330718259 KJHVUNWVCKWAMK-UHFFFAOYSA-N 428.481 4.713 30 10 IJEE Cc1ccccc1CSc1nnc(CC(C)(C)C)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330808073 MVKKXWUDHOVKLJ-UHFFFAOYSA-N 439.541 4.963 30 10 IJEE Cc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c(Br)c2)cc1 2331271536 TYWIRAQUPFJPMI-UHFFFAOYSA-N 437.293 4.971 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)cc1Cl 2331474869 RRKREJXNVVNCFX-UHFFFAOYSA-N 429.373 4.711 30 10 IJEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332188712 TUYCOTDIQMTBFI-UHFFFAOYSA-N 427.414 4.596 30 10 IJEE C=CCN(CC[C@H](O)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2337573031 MXSTVHDPEDNKIL-SFHVURJKSA-N 426.351 4.837 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339585678 SIYXIEGNNGCKDC-RLLQIKCJSA-N 441.381 4.536 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C 2360197664 RONPHPPGECBKKX-VDGAXYAQSA-N 435.406 4.957 30 10 IJEE Cc1cccc(N/C(=N/C(=O)c2ccccc2)N2CCN(Cc3cccc(F)c3)CC2)c1 32946364 PSJCAAPHOVQBRO-UHFFFAOYSA-N 430.527 4.560 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c(OC)c1 34955438 TWXSCMPAMPLNFJ-XNTDXEJSSA-N 448.471 4.836 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(F)cc3)CO4)C2=O)cc1 41662993 HCGDUHSGDFGUJX-MYYYXRDXSA-N 444.506 4.903 30 10 IJEE Cc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)c1 59014444 AOZZJHWCEVIHPU-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE Cc1cc(Br)c2c(c1)/C(=C1/S/C(=N\c3ccccc3Cl)NC1=O)C(=O)N2 100791996 FFNCBCYMYCOOCG-SQFISAMPSA-N 448.729 4.625 30 10 IJEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 102527961 KEULLOFBYQLEAI-FEYWKWKCSA-N 426.472 4.581 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(OC)cc3)nc21 103010403 IQBVYNBAAZIAID-GOSISDBHSA-N 429.586 4.911 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 109879752 NHUACOUJSRFALM-UHFFFAOYSA-N 427.533 4.920 30 10 IJEE CCCCOc1c(OC)cc(/C=N\n2c(S)nnc2C2CCCCC2)cc1[N+](=O)[O-] 169910039 DJIJHLKIXOISEX-BKUYFWCQSA-N 433.534 4.592 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@@H]1c1cccc(C)c1 169970699 IWJYTZLBYDWHQR-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 169975439 CUWPKTWPXVXUDV-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccncc1)c1ccc2ccccc2c1 170026828 VHYVGHDHALKYGL-HSZRJFAPSA-N 446.466 4.894 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1c[nH]c2ccccc12 170058056 QKERAOPTEHIIKS-KKSFZXQISA-N 436.895 4.579 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 170067542 RXXQNKNSKBLSCB-XMMPIXPASA-N 442.515 4.992 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@@H]1c1ccccc1OC 170121878 ZLQMNZIVCWMHAX-QFIPXVFZSA-N 437.536 4.526 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2cccs2)c1 170160256 BUDXKYXWGPSZTR-NRFANRHFSA-N 435.501 4.944 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 170163145 KLNWRTJRRJXVLQ-JOCHJYFZSA-N 430.529 4.800 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)c1 170184026 ZULKGMPCRKELGL-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccncc2)cc1C 170202436 WSCZJNLLYLLHGU-XDHUDOTRSA-N 440.499 4.805 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)cc1 170205968 BQCMUDSOQKUQEJ-HSZRJFAPSA-N 439.471 4.523 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)ccc1Cl 170224497 QQCOZJZLZLQOOS-NRFANRHFSA-N 435.863 4.837 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccc2)c1 170227363 UNWRGMBQNGIVOO-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 170233396 QUFMPZWEECJSCH-DEOSSOPVSA-N 428.532 4.760 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2F)c1 170247416 CIVAGOJVHWUSCR-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(C)o2)c1 170304055 PJVFWAXCHFLXFT-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2sccc2C)c(C)c1 170314478 KIQQNBZXOAHMBN-FQEVSTJZSA-N 435.501 4.862 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1cccc(O)c1)c1ccco1 170388086 QOVHXVFHEFGLCB-SFHVURJKSA-N 429.350 4.787 30 10 IJEE CCc1nnc(S)n1N=Cc1ccc(COc2ccc(Br)cc2Cl)o1 254812770 XOCWITUQZBQURM-UHFFFAOYSA-N 441.738 4.599 30 10 IJEE COc1cc(C)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C 427333966 DWTZCUXXZKFZKQ-SFHVURJKSA-N 427.504 4.667 30 10 IJEE C=CCC[C@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)c1ccccc1 428023067 NZHQCGZLPKNORR-VXKWHMMOSA-N 434.584 4.994 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F 503425545 DZGCXSCHPCEQRN-OAQYLSRUSA-N 442.478 4.761 30 10 IJEE COc1ccc(Sc2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2Cl)cc1 505275356 RVLVOLRGKQPDQH-UHFFFAOYSA-N 443.956 4.591 30 10 IJEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508832711 LKUAMUNJIVFYCL-UHFFFAOYSA-N 436.519 4.599 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 508835111 XVKIYOVDEIQKDK-HVCNVCAESA-N 449.643 4.658 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(Sc2ccc(Cl)cc2)CC1 508947780 AYDICSCHTNVBAK-UHFFFAOYSA-N 425.989 4.864 30 10 IJEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 517762030 SENHNMGHSBZJJI-UHFFFAOYSA-N 442.523 4.510 30 10 IJEE Cc1ccc(-c2nc(C)c([C@H](C)N(C)S(=O)(=O)c3ccc(F)c(C#N)c3)s2)cc1 523517896 ADXMBBJHDJERDO-HNNXBMFYSA-N 429.542 4.819 30 10 IJEE COc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1OC 526491438 NCEHCQZLOJVYRS-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCCCc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccncc1 526820060 JIKSXHUQDQWJAK-XKZIYDEJSA-N 430.375 4.953 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@H](c2cccs2)C1 558997573 FLZLXMZHMWMFSN-ONTIZHBOSA-N 436.581 4.739 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Cc3cccs3)C2)c1 586003071 XRPVSMOUAFEYAT-HXUWFJFHSA-N 425.598 4.549 30 10 IJEE C=CCn1c(C2CCC2)nnc1N1CCC[C@@H]1c1ccccc1I 589247186 IBIDUXCMNTYBSI-QGZVFWFLSA-N 434.325 4.678 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2onc(C)c2C)ccc1Cl 747989732 FLJDJPZDINBRAZ-UHFFFAOYSA-N 445.928 4.578 30 10 IJEE C[C@@H](NCc1ccc(C#N)cc1F)c1cc(Br)cc(Br)c1O 756544101 SQNRAMPIMQHPCT-SECBINFHSA-N 428.099 4.779 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(C(C)(C)C)CC1 802600006 KVRSJYOQBKMXEL-UHFFFAOYSA-N 425.577 4.543 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 804459743 YRVKLUQXVJHATK-HXUWFJFHSA-N 449.597 4.606 30 10 IJEE CC(C)(C)NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(-c2ccccc2)c1 811725081 YYTDKUMTZPYHJY-UHFFFAOYSA-O 430.553 4.818 30 10 IJEE CCN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccc(SC(F)F)cc1 914537977 HKIAHKQZKCZINO-KRWDZBQOSA-N 449.548 4.659 30 10 IJEE CCc1cccc[n+]1/C(C(=S)Nc1ccccc1C#N)=C(/O)c1ccc2c(c1)OCCO2 917614013 WSBNIMYHTZNIMI-UHFFFAOYSA-O 444.536 4.503 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)c2)s1 1116702189 ASRJPLSEDJSUSM-JXFKEZNVSA-N 437.487 4.570 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C(=O)c1cccc(C)c1)c1ccc2c(c1)OCO2 1124145906 XTSRNZQAECJWOV-UHFFFAOYSA-N 429.472 4.705 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 1125401036 KBZQAGKJDHYAFE-HNNXBMFYSA-N 432.442 4.888 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)c(OC)c1 1128927810 IPGKYZBYYKCIMF-UHFFFAOYSA-N 434.508 4.618 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(-c2ccc(Br)cc2)s1)C(=O)OCC 1132418150 MSJPRTMHYMFCEB-AWEZNQCLSA-N 442.762 4.982 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)c1ccccc1 1133167525 AFFHORGOQNLFMN-PMACEKPBSA-N 428.326 4.744 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccc(C)cc4)cc3)cc2n1 1134291449 VFUWCULPMNPHPK-UHFFFAOYSA-N 445.544 4.757 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2c(F)cccc2Cl)C1 1148013589 FDXYAGSIAFJSPP-QGZVFWFLSA-N 431.335 4.516 30 10 IJEE C=CCCO[C@@H](C)C(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 1161319162 CPBKCGCTJMUYTE-IBGZPJMESA-N 428.960 4.549 30 10 IJEE C=C[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1167008748 ZOVKXQMDYDVZIT-SQNIBIBYSA-N 426.479 4.508 30 10 IJEE C=CCN(C(=O)CN(CC)C[C@H](C)OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1194551371 GKYQALFSGQZSKM-AWEZNQCLSA-N 442.412 4.993 30 10 IJEE Cc1cccc(NC(=O)Nc2cccc(CNC(=O)NCCc3ccc(C#N)cc3)c2)c1 1223969580 HOIZMMNDDZCYJY-UHFFFAOYSA-N 427.508 4.553 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 1224389307 SCGKPVRSPRCAKH-PKTZIBPZSA-N 439.600 4.820 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NCC3(c4ccccc4)CCCCC3)CC2=O)cc1Cl 1264315619 DBPBHHRRLIZGCM-LJQANCHMSA-N 435.955 4.583 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(C)c(Cl)c2F)c(C(=O)OCC)c1C 1264357571 SMKSVHRZTGQIMP-UHFFFAOYSA-N 439.892 4.929 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 1264834320 YJTIVJAQTPNHAB-RBZOQEBVSA-N 447.966 4.821 30 10 IJEE C#CCN(C(=O)c1cc2c(Cl)nccc2o1)[C@@H]1CCOc2ccc(Br)cc21 1265210401 OTIGHVLUCCRMLX-OAHLLOKOSA-N 445.700 4.843 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 1273110615 OKASDBTVAHQWJN-UHFFFAOYSA-N 449.894 4.802 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)c(OC)c1 1273947611 MBRBOJNOPAZIBK-UHFFFAOYSA-N 443.565 4.548 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(OC)c1 1286278999 INZUXZAHIOCBGV-SFHVURJKSA-N 434.609 4.985 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(C)(OC)C1 1286600692 PLHCAFZTAICGOX-GOSISDBHSA-N 448.995 4.506 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286635806 BSHRFLALYNZWDB-SFHVURJKSA-N 443.020 4.749 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)CC[C@H]1C)c1ccccc1 1286681870 VWMPJTWUCUXEAE-ILPIOFSMSA-N 438.616 4.987 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N1CCCC1 1286724367 MDVULDULOBKKEY-HXUWFJFHSA-N 425.964 4.575 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)c1ccc(C)cc1 1286731340 INDOEYUZRQUONB-NRSPTQNISA-N 439.604 4.783 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21)C(C)C 1286752528 YPVHCWWUPWZYIF-QJUOVVKFSA-N 441.664 4.843 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CC1(OC)CCC(C)CC1 1286764268 KJWDGWVGEOOSMW-UHFFFAOYSA-N 435.572 4.764 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[C@H](OCC(C)C)C2)cc1 1286795031 VLHQDSQNICNACX-QHCPKHFHSA-N 447.583 4.513 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCSC1)OC 1291941236 DYGAAXAHHKOAGL-RTWAWAEBSA-N 427.618 4.600 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1291956839 WOHKFHVGOVMNJA-DEOSSOPVSA-N 432.495 4.607 30 10 IJEE CC[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1293346677 CORRFDZGIFCGJE-MJGOQNOKSA-N 437.979 4.666 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](COc1c(C)cccc1C)C(C)(C)C 1295060678 PMLNWXPEAUYSOU-VQTJNVASSA-N 430.589 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1300277077 WJGVPMPHQMIXFT-SCRDCRAPSA-N 444.299 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN(CC(C)C)C1 1300816920 YCERSSNQOWEOAC-WNCULLNHSA-N 449.643 4.526 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1Cl 1300880728 KJLIXJXOYDYLLN-RXVVDRJESA-N 425.964 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1300912418 AZVUBOVYNRPWKG-JOCHJYFZSA-N 437.588 4.504 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 1300939218 SIRWRDLQMYNCMR-OAQYLSRUSA-N 430.618 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)Cc1cnn(C)c1 1301138944 IADUSRQBIIJMSW-UHFFFAOYSA-N 444.587 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(Cn2cncn2)CC1 1301143112 DLRKCIHAJZFRAJ-UHFFFAOYSA-N 433.604 4.618 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCC[C@H](O)C1 1301170547 ZHFGZJCJNJMZNW-QTEQDKRBSA-N 440.588 4.524 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCCO1 1301208719 BIZHMQLEKRDRDK-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1)C(C)C 1301367428 NXZPGVGGENAYRQ-SIKLNZKXSA-N 444.023 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@](C)(O)c1cccs1 1301379583 OYWOWFGUTMIMTI-XMMPIXPASA-N 431.565 4.641 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1301612328 LJABTRMWPBSWAO-UHFFFAOYSA-N 442.629 4.911 30 10 IJEE C#CC1(NC(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1303027980 XZHBZXFZVBNLGZ-UHFFFAOYSA-N 430.548 4.758 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1Sc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 1306928376 QFUOKLGESXZQGT-UHFFFAOYSA-N 438.900 4.711 30 10 IJEE C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(-c2ncco2)cc1F 1307280305 IGOXJQMPGUVTAA-UHFFFAOYSA-N 427.549 4.579 30 10 IJEE Cc1cc(Br)cc(C)c1CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1309118745 HWBHXJKOZZCYHW-UHFFFAOYSA-N 449.395 4.939 30 10 IJEE C[C@@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1309136252 HYXOBVXQIKVEOL-JTQLQIEISA-N 437.270 4.793 30 10 IJEE COc1cccc(C2=NO[C@@H](C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)C2)c1 1347983565 DQHQANSULKYPQT-MGPUTAFESA-N 437.565 4.911 30 10 IJEE C=CCN(C(=O)C[C@@H]1CC(=O)Nc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350510207 MBTHPVRMNKEAQU-INIZCTEOSA-N 448.504 4.753 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)n(-c2ccccc2Cl)n1 1353818508 QDERDFCMCAWJGZ-UHFFFAOYSA-N 440.883 4.577 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)cc1 1354105419 XOEZZDJDXHHFCT-PFONDFGASA-N 438.471 4.554 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(F)c1 1358905860 NHGZGVHSQWECQW-UHFFFAOYSA-N 444.352 4.625 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 1358918048 JNFUCJBLESSVSI-RCCFBDPRSA-N 426.527 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCS[C@@H](CC)C1 1359095439 OEFIEQXHCVENNA-UWVAXJGDSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359096423 BKHJPLMRVJBKAT-UWVAXJGDSA-N 440.617 4.779 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCCc2sccc2C1 1359134119 KSZNZBTYXIJHPC-UHFFFAOYSA-N 426.561 4.615 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2nccs2)CC1 1359158954 JDXWXRYLZASJIE-KRWDZBQOSA-N 427.549 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1359190231 IZZBCTAJXTVZCT-XMMPIXPASA-N 445.611 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359191794 LYUGFFIWZFZADR-RTWAWAEBSA-N 425.621 4.687 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1359214358 AQJVXLIKQFGGLJ-ZCNNSNEGSA-N 447.624 4.616 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1359220017 LPIJFLBTGYMKTC-OAQYLSRUSA-N 449.603 4.591 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1(OC)CCC(C)CC1 1359257819 WXMFOGNIHMDISF-FUBUYXNDSA-N 449.599 4.789 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCc1nc2c(s1)CCCC2 1359268721 ANGNAEFSMJOEDN-UHFFFAOYSA-N 430.581 4.573 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(Cl)c(OC)c2)C1 1359316277 LRJMWWYIVORBLW-SFHVURJKSA-N 442.947 4.533 30 10 IJEE CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 1359755795 GTHBVBFYISKQPA-IFMALSPDSA-N 435.597 4.618 30 10 IJEE C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N)c1nccs1 1360583640 HFJBUQOJIISRBL-LSDHHAIUSA-N 430.965 4.509 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1OC 1360934179 YAIPMNJYVUUOMQ-IPVAERDFSA-N 440.971 4.832 30 10 IJEE C=CCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C(F)(F)F)cc1 1435635529 RWKHBDFRIOLPNX-QGZVFWFLSA-N 438.402 4.825 30 10 IJEE Cc1ccc(-c2nc(C)sc2CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1437240108 DRGXSJCDDVYXEZ-UHFFFAOYSA-N 444.604 4.622 30 10 IJEE C=CCC[C@H]1CCCN1c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 1458675586 RYBIXFFMXOKFES-SFHVURJKSA-N 429.542 4.745 30 10 IJEE C=CCn1c(O)nnc1SCC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 1458990643 GBVPYSKFBDXWGW-UHFFFAOYSA-N 426.567 4.669 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)CCCCC1 1459144658 CKKIQYDTGIHIDR-UHFFFAOYSA-N 432.520 4.827 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 1464875947 CDRHPMBKCIWJCC-UHFFFAOYSA-N 447.626 4.921 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nc(C(F)(F)F)cs2)s1 1465377808 HGPRCRMZVOSOOP-UHFFFAOYSA-N 427.926 4.630 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 1468847751 JWPCEEMEVCQTCR-SANMLTNESA-N 445.607 4.531 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCCCc1ccc(Br)cc1OC 1469519518 VESJOQQMQYILJR-UHFFFAOYSA-N 447.373 4.797 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(Br)c1 1471715196 DBUROYVYUZVIAU-KRWDZBQOSA-N 425.367 4.623 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12)c1ccc(Cl)cc1 1475365379 FLHRDPRXWMCSAS-SFHVURJKSA-N 435.879 4.790 30 10 IJEE C[C@@H](COc1ccccc1F)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1476580502 FAQMCOFPSRIOOX-INIZCTEOSA-N 435.503 4.770 30 10 IJEE CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@](C)(c1ccc(F)cc1)C(F)(F)F 1477157471 DKFGSIHNRVXQGY-AWEZNQCLSA-N 429.361 4.920 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)n1 1492638553 IBKIAYZPPKPWJM-MRXNPFEDSA-N 448.552 4.527 30 10 IJEE CCC(CC)(Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C#N)cc1)SC 1496577761 BMTKNFOKFGTPMJ-UHFFFAOYSA-N 434.613 4.694 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)c1ccccn1 1507605419 SQRBDGQUVRGTMA-UHFFFAOYSA-N 438.579 4.795 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCOC1CCCCC1 1507682387 MXIDOSSQPHHNNE-UHFFFAOYSA-N 445.405 4.907 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H]1CCCN(C(C)C)C1 1507699299 DXDCQHAGJVVLJG-UNMCSNQZSA-N 425.596 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCS1 1507764136 KPTPXHWDODVBRY-FOIQADDNSA-N 449.393 4.734 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N(CC)C1CC1 1507780911 JFAFFTLHJYYXGK-UHFFFAOYSA-N 426.156 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1507804106 JVQMZFCMMVOYEG-XZOYJPPVSA-N 435.547 4.582 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1507832559 DFKHMKJLZUJYRT-DENIHFKCSA-N 445.007 4.833 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1507905401 UUWGMYCKDUVPRR-UHFFFAOYSA-N 425.577 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1(c2ccccc2)CC1 1507910580 VZSCMFFQMIVUBB-UHFFFAOYSA-N 444.583 4.696 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@H](C(C)C)C1 1507959555 QSHOPXUGUTWSAP-ICSRJNTNSA-N 444.645 4.585 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1508021334 RSLMYVFMCHJDFD-ISKFKSNPSA-N 435.641 4.966 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1c(C)nn(C)c1C 1508048745 OBPAOXDFZGWPRH-SFHVURJKSA-N 442.995 4.861 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCCc2cccc(C)n2)C1 1508111422 FLAWECPEEDDAGP-FQEVSTJZSA-N 437.975 4.716 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)CC)C1 1508119279 VRDFYRXUZZLCBK-GOSISDBHSA-N 433.394 4.925 30 10 IJEE CCOc1ccccc1CN1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)[C@H](C)C1 1518872658 HDZLIRLMEPYQMX-QGZVFWFLSA-N 433.577 4.827 30 10 IJEE CC(C)[C@H]1CCc2c(sc(NC(=O)C[C@@H](C)n3cc(Br)cn3)c2C#N)C1 1523678119 CBXGZNCENFTJSH-OLZOCXBDSA-N 435.391 4.929 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)C1 1524878550 BIBSGIHDTPGXBZ-VXKWHMMOSA-N 425.573 4.519 30 10 IJEE C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1527592091 MPFYVWWCFPLPGT-YADARESESA-N 430.545 4.784 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1529304694 BRUBMZUZPSEWQF-PMACEKPBSA-N 432.630 4.562 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(c2cc(NC(C)=O)ccc2OC)C(C)C)cc1OC 1530050097 BOMWKRINBJLTFB-UKTHLTGXSA-N 438.524 4.682 30 10 IJEE CCN(CCOc1ccccc1OC)C(=O)c1cccc(COc2ccccc2C#N)c1 1534083789 GSYIOTJAXSYIHR-UHFFFAOYSA-N 430.504 4.687 30 10 IJEE CCCc1c(C(=O)Nc2ccc(Br)c(C#N)c2)nnn1-c1cccc(Cl)c1 1534575225 FWUOSUHIJLLLTH-UHFFFAOYSA-N 444.720 4.760 30 10 IJEE C#C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)c1ccc(Cl)cc1F 1535505020 QMKYZYQNNGRWJW-QFIPXVFZSA-N 434.902 4.977 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(Br)c(OCC)c(OC)c3)cc21 1538951694 ROLFYZIOLNHLSH-UHFFFAOYSA-N 430.302 4.644 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCOCC(F)F 1538987942 YCNDLZPCDVURCP-HNNXBMFYSA-N 448.514 4.942 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1539002064 PDDIBULWEJGHAU-YDHSSHFGSA-N 433.600 4.736 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C1CC1 1539586923 RHLXFPSZEFCGRE-UHFFFAOYSA-N 440.183 4.913 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H](C)CCC 1539619456 FWZHSLPWAPVSHN-QFUCXCTJSA-N 427.549 4.707 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C)CC1 1539623218 LDPOHMYKPIVSHN-DYESRHJHSA-N 430.980 4.825 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(NC(C)C)CC1 1539693404 JBZVIAZGPBXESI-UHFFFAOYSA-N 425.621 4.913 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)C2(CCC2)C1 1539701485 IXMGKYRUZSRQGQ-VQTJNVASSA-N 443.636 4.985 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1539881585 BOBJKBLIPMJZKS-KRWDZBQOSA-N 443.567 4.647 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1539896650 PTZXCGWRZFZQPF-DNVJHFABSA-N 443.680 4.720 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@H](C)[C@@H]1C)c1ccccc1 1539949512 YTEUPYIJFTYUGK-MIZPHKNDSA-N 433.625 4.954 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@](C)(O)c1ccsc1 1540086871 FRPNDXXMHWCVCL-XMMPIXPASA-N 440.613 4.880 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc(C(C)(C)C)cs1 1540087280 UOLOQXPHQRRYIB-UHFFFAOYSA-N 425.602 4.898 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCN1CC)C1CC1 1540095957 ZRWPTCMVANNFLH-NQIIRXRSSA-N 427.568 4.586 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1Cc1ccnc(OC(F)F)c1 1540126710 KCFXJZFBDBHCDM-UHFFFAOYSA-N 427.499 4.813 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@H](C)C1 1540126854 LSDXBANUUWRLMD-JFTIXFDTSA-N 449.599 4.503 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[C@H](O)C1 1540184998 JIYOGNWQXBRIOS-NQIIRXRSSA-N 440.975 4.978 30 10 IJEE C=CC1(CC(=O)Nc2nc3ccccc3n2-c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1542721776 YBTHCWGIBZXXOH-UHFFFAOYSA-N 432.524 4.777 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCCN1C(=O)OC(C)(C)C 1544516986 GEZPQUJOHSOFGQ-GJZUVCINSA-N 441.616 4.594 30 10 IJEE C=CCOc1cccnc1C(=O)Nc1ncc(Cl)cc1C(=O)Cc1cccc(F)c1 1544864326 YQEIOHRLSNFKKM-UHFFFAOYSA-N 425.847 4.512 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](C)C1 1545281648 UWPPHJZRWVVYPX-HJPURHCSSA-N 438.955 4.905 30 10 IJEE CCN(CC)CCn1c(NCc2cc(C#N)ccc2Br)nc2ccccc21 1560576429 BMYGNIUKZOXUSX-UHFFFAOYSA-N 426.362 4.624 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1)c1ccc(F)c(F)c1 1564596536 DDJJTVQZNHYKJC-HSZRJFAPSA-N 429.486 4.958 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1)c1ccccc1 1565277070 FKASCAWWDXCBOX-VWLOTQADSA-N 449.595 4.579 30 10 IJEE C=CCC[C@@H](NC(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)c1ccc(C(F)(F)F)cc1 1566676487 YIWFWPXZKXUKEG-ZWKOTPCHSA-N 444.494 4.759 30 10 IJEE C#CC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)CC1 1570659202 DEKOYERJKUBTSS-UHFFFAOYSA-N 438.593 4.624 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CC2(CCOCC2)C1 1587677109 CMSJZYRMXFIWBH-KRWDZBQOSA-N 445.032 4.889 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](C2CC2)C1 1587787938 SNRIDZIDMDEFJU-GOSISDBHSA-N 443.389 4.659 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCSC(F)(F)F 1587921558 BLKGFYQSKVITAD-UHFFFAOYSA-N 437.516 4.699 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1ncc(CC)s1 1588445866 TXQGXAQICPGLDF-UHFFFAOYSA-N 437.613 4.681 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCC1CCOCC1 1589171722 QBBBOQJOZHSTLT-JOCHJYFZSA-N 443.389 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1589233274 HAYKOCUPOQYWSK-CJFMBICVSA-N 443.636 4.552 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](c2ccco2)C1 1589421141 DXUNECVBFMGSSW-CQSZACIVSA-N 449.299 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CCN(CC)C(=O)OC(C)(C)C 1589625675 MGROMNOANLUXBA-UHFFFAOYSA-N 427.593 4.913 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1593851678 ATLIEDNQHAMBNM-HKUYNNGSSA-N 448.995 4.889 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1594247883 SEFBDQVHMUMCGN-UHFFFAOYSA-N 444.627 4.556 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC)[C@H](C)C1 1594454142 CFLSVVRCMZSOTF-RTBURBONSA-N 429.584 4.690 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1594793031 FDIXYMTUZWOXSY-SFHVURJKSA-N 442.947 4.750 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1594980948 SOKNOMBXYGIJON-AUSIDOKSSA-N 439.604 4.775 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1Cc1sccc1Br 1594992240 COTVJMMBTXLVFG-UHFFFAOYSA-N 442.386 4.776 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCCO2)n1CCc1cccc(C)n1 1595075849 LWWNEAIBGNTHMK-XMMPIXPASA-N 447.583 4.667 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1C 1595149454 ONVUZHOMANEWOF-OALUTQOASA-N 438.597 4.880 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1595250887 LEUYAUBUAHEKPM-ROUUACIJSA-N 448.493 4.800 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1595659217 VOFXIQNRBPXXPX-NFBKMPQASA-N 431.584 4.892 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccoc1 1595850743 RTXXRLJFUKOGOR-UHFFFAOYSA-N 433.375 4.856 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)c1 1596615477 WTGJAZBWRHKJTJ-GMAHTHKFSA-N 447.000 4.886 30 10 IJEE C=CCn1c(SCc2ccc(C3(C(=O)OC)CC3)cc2)nc2sc(C)c(C)c2c1=O 1613269540 CITDIWQDBSSLEP-UHFFFAOYSA-N 440.590 4.758 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CC(C)(C)CC 1613313832 CFKUOOOMTJLARV-IBGZPJMESA-N 445.615 4.974 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)c(F)c1 1617346312 YOVWDSTYBHIAAX-FQEVSTJZSA-N 444.463 4.842 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CCCC1(C)C 1618339721 ZOPOFYODBQZFOH-OAQYLSRUSA-N 430.545 4.833 30 10 IJEE C/C(=C\c1ccc(Br)o1)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1618706473 QQSBAKGMFVMUAP-BJRSVTDJSA-N 448.748 4.508 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCC(c3ccc(C#N)cn3)CC2)cs1 1620450193 MAJOFPSVSKOODS-UHFFFAOYSA-N 431.565 4.782 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc1OC 1621992319 BFGAMFHJGQURBW-YRNVUSSQSA-N 431.454 4.993 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)cc1C#N 1623276548 DYIKZWZKCPMEFR-MRXNPFEDSA-N 436.516 4.853 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](CC)C(=O)OC(C)(C)C 1625542381 JPNKTGSSJDBAOF-ZDUSSCGKSA-N 427.339 4.503 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)c(Br)c(F)c2)cc1C#N 1625592298 HCUWRQWQIWGSIL-UHFFFAOYSA-N 435.253 4.981 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccnc(C(=O)OC)c2)cc1 1627465747 SLWQBMMRXLKEAA-UHFFFAOYSA-N 447.491 4.889 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(Cc3cnn(Cc4ccccc4)c3)C(C)C)cc21 1627746740 QMXNTAVBNUPUTG-UHFFFAOYSA-N 428.540 4.910 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(CC)cc2)c2cccc(F)c2)c1 1629565639 QWRGQCPWKUPVAD-RUZDIDTESA-N 449.547 4.705 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1ccc(SC)c(OC)c1)c1ccc(Br)cc1 1636562973 QTIJRZIVCIOADB-KRWDZBQOSA-N 433.371 4.696 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCC(=O)c1ccc(OC)c(F)c1 1638813651 CJNULFDFCQDREX-UHFFFAOYSA-N 436.277 4.763 30 10 IJEE C#CC[C@H]1CCCN(C(=O)CSCc2nc(O)c3c(-c4ccccc4)csc3n2)C1 1639869033 GEWYUKDAXKQDJH-INIZCTEOSA-N 437.590 4.559 30 10 IJEE C=C1CCC(C(=O)N[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)CC1 1640172737 PTMHNZGOAWXVPG-NBGIEHNGSA-N 426.557 4.752 30 10 IJEE CCOc1ccc(-n2c(Sc3cc(C#N)nc(C)n3)nnc2-c2ccc(F)cc2)cc1 1650840187 IFGGHYYVGPDGOQ-UHFFFAOYSA-N 432.484 4.593 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](Nc2ncc(Cl)c(C)c2C#N)C1=O 1651044960 FQJVWWFHYCUHFB-KRWDZBQOSA-N 447.764 4.902 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(Br)sc1Br 1652446899 YFVPHAQOQPJHHS-UHFFFAOYSA-N 435.181 4.937 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 1652741583 OLYOWEKVWUXWLI-RCLSDMTESA-N 442.629 4.773 30 10 IJEE C=CCn1c(Sc2ncc([N+](=O)[O-])cc2Br)nnc1-c1ccc(C)cc1 1655300415 HMJPIWHRBXROKL-UHFFFAOYSA-N 432.303 4.656 30 10 IJEE COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1657454183 HTPAGZOHWPOCSP-GOSISDBHSA-N 436.600 4.992 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@](OC)(C(F)(F)F)C1 1662574091 VUDHKTGCASPDCG-MRXNPFEDSA-N 437.256 4.589 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCn2ccc3cc(Cl)ccc32)cc1 1667785791 IRJQYNIRAJHTCD-UHFFFAOYSA-N 436.943 4.931 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)c1ccccc1 1674078168 RZTJFTUNUWGFNK-MRXNPFEDSA-N 444.329 4.999 30 10 IJEE Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1Br 1676979776 DGLLXDSWCDAFAL-UHFFFAOYSA-N 428.208 4.850 30 10 IJEE N#C[C@H]1CC[C@@H](NC(=O)N2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)C1 1683500105 DZSNLCAIXZPZPP-PMOQBDJRSA-N 437.588 4.577 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C)c1ccc(Br)cc1 1683681613 RPXGOJLBJLFHRQ-CZAAIQMYSA-N 427.342 4.603 30 10 IJEE C=CCCC(C)(C)CNC(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O 1684446901 SKSLVJZWXRRRSI-UHFFFAOYSA-N 441.410 4.733 30 10 IJEE C#C[C@@H](NC(=O)NCCc1cccc(OCC(F)(F)F)c1)c1ccc(Cl)cc1F 1686226523 WIESEQLGPUEOKI-GOSISDBHSA-N 428.813 4.636 30 10 IJEE C#CCN(C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1686252924 VRPDICKGLPIVEN-KESTWPANSA-N 445.991 4.630 30 10 IJEE C#C[C@H](NC(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1686922135 BJOXZKKPGCCPQM-KRWDZBQOSA-N 425.932 4.536 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)C(C)C 1689828561 PIZKEUCDHLXRJO-IXFSTUDKSA-N 432.996 4.553 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1CSC 1690157764 ORWSRSUHCHFVHT-UXHICEINSA-N 444.670 4.733 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(C)CCCO1 1690193506 LQHFEYOOBPEJDB-IMRHEYAYSA-N 428.964 4.633 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690220773 AAOCQFYIIDELSW-DYVFJYSZSA-N 437.769 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N1CCCCCC1 1690270087 SIVAHVRGHBLOKK-UHFFFAOYSA-N 448.615 4.545 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@H](C)S[C@H](C)C1 1690277314 NUVNIVWZSKACAO-OKILXGFUSA-N 437.407 4.623 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C)(C#N)CC1 1690300849 MBSAPCINCRQFAN-GOSISDBHSA-N 443.979 4.794 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H](C)SC)CC1 1690406521 JHDIVJFDWQMXAV-KRWDZBQOSA-N 430.618 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1690433663 YXGUNXKYBCQKEG-UXHICEINSA-N 437.636 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(N(CC)Cc2nc(O)c3sccc3n2)nnc1C(C)(C)C 1690439886 RSMGCRGLPYNNBS-UHFFFAOYSA-N 428.606 4.915 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1Cc1cnc(C)s1 1690560105 PFUINFIDXBKEEP-UHFFFAOYSA-N 441.564 4.526 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)C)n1C[C@H](F)c1ccc(Br)cc1 1690611144 BIGFPEMUJCDNLC-KRWDZBQOSA-N 425.346 4.514 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C1 1690687111 YTOSEMYDUOBBFX-ROUUACIJSA-N 440.485 4.978 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690737222 DWHCAOOYXDPVOM-QRWLVFNGSA-N 449.020 4.530 30 10 IJEE CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1694410170 FEJWWRFKDKNCPG-FQEVSTJZSA-N 436.387 4.933 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](CC)C1 1705521373 ZYQBGSMLVFCNDV-KRWDZBQOSA-N 437.371 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(OC)cc1OC 1705699753 LKHZCLHNPZXJAI-NZQKXSOJSA-N 440.588 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC(C)CC1 1705710209 VTRUTLAGDPGYSV-XXBNENTESA-N 442.629 4.797 30 10 IJEE C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)Cc1c(C)nn(C)c1C 1705721546 IBTBTBJSUFQCLM-UHFFFAOYSA-N 447.612 4.940 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2cc3ccccc3[nH]2)C1 1705787431 SEJADPIXKOIKQF-FQEVSTJZSA-N 448.615 4.884 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1705805423 GWQFPGKJLNRJHV-FYYLOGMGSA-N 429.653 4.619 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@](C)(O)c1ccsc1 1705837088 PGIRYIVNUQXVRJ-QFIPXVFZSA-N 428.627 4.867 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@H]1C2)C(C)C 1705867996 ZBKGYXOFSQUAIB-XWGVYQGASA-N 430.600 4.504 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC(C)C)C1 1705920289 UVPSKZGPQCHJTL-GOSISDBHSA-N 433.394 4.843 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1705943586 FNLILEWMVWEMFE-SFHVURJKSA-N 440.642 4.717 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1722311912 NWLOBOOUKQVVKE-UHFFFAOYSA-N 435.355 4.665 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCOC2(CCCCC2)C1 1722320793 KKMYASGMVXCKPJ-UHFFFAOYSA-N 436.600 4.817 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1722324573 UQGHLRPPABAKMG-ACRUOGEOSA-N 440.563 4.614 30 10 IJEE C=C(Br)Cn1c(N(C)[C@@H]2CCCN(c3ccccc3)C2)nnc1C(C)(C)C 1722488094 AWLZHENPXONMOE-GOSISDBHSA-N 432.410 4.589 30 10 IJEE C=CCCCn1c(C2CC2)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1722615527 SHPOWVDADCRYQU-QGZVFWFLSA-N 439.551 4.593 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)c1cccs1 1722642541 GHKUVWINXHTKSE-HXUWFJFHSA-N 435.018 4.815 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)s1 1722655959 NPRORFAGHUMOGU-UHFFFAOYSA-N 444.564 4.536 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C)s1 1722706925 BEUREGFUSBBNCI-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCC[C@H]2C)c1 1724248663 AEDJPSSYORYANW-FHAGJXEFSA-N 439.604 4.578 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CCCC2)C1 1726548758 DDELBQNFBHPVDF-HXUWFJFHSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740541577 CCSHREZYMCRNRX-XGHQBKJUSA-N 445.007 4.906 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1740724002 WENQORMIUJCWNL-ROUUACIJSA-N 432.684 4.575 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(OC)c(O)c1 1740779384 DHTQMIDBJSEYGU-UHFFFAOYSA-N 449.374 4.696 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1740788278 QXVYJYGWNCSVGR-WIYYLYMNSA-N 448.608 4.728 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)Cc1c(F)cccc1Cl 1740792844 AYSBOXZLHZBZBH-UHFFFAOYSA-N 434.968 4.952 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccccc2)C1 1740804111 RMWRMRMMMVUIPO-MRXNPFEDSA-N 446.780 4.793 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)c2nccs2)CC1 1740834784 CMDKRYRMZXZQSY-INIZCTEOSA-N 439.585 4.625 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cscc1C(F)(F)F 1740894792 HWFICVCFYDPNCI-UHFFFAOYSA-N 438.475 4.713 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@](C)(O)c1cc(C)oc1C 1740904198 BQNJHWDHHUTAPX-HSZRJFAPSA-N 426.586 4.619 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCS1 1740938678 KNPOKJWXYIMHDN-KRWDZBQOSA-N 437.009 4.532 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCSC2)C1 1740974042 BEGVWKBACIZQOR-HOCLYGCPSA-N 439.412 4.786 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccnc(SCC)c2)C1 1740981327 NSYRDSKVCQTLJN-JOCHJYFZSA-N 449.624 4.514 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCO[C@H](C)C1 1742951263 HNJIEPSSSCYSJX-HBFSDRIKSA-N 441.551 4.502 30 10 IJEE CCOC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CCCC1 1746746010 HHJRLDXAXNJBEI-QZTJIDSGSA-N 429.540 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1748686686 UORMFGDZMUUTOI-KPFFTGBYSA-N 445.489 4.555 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1 1748764490 PUFWWQUJWOTQJY-OALUTQOASA-N 429.609 4.636 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1749037376 CFTWJACDCZBUDY-HNNXBMFYSA-N 439.050 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1CC 1749056880 WUIFOPUMCXGIFA-JOCHJYFZSA-N 438.373 4.639 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1cccc(NC(=O)CC(C)C)c1 1749064831 LEDZVBUNPMKPIY-AREMUKBSSA-N 433.600 4.961 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1C[C@@]1(C)CCCS1 1749078916 SXYJDJDWOQZSHM-DNQXCXABSA-N 440.613 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1749156068 QRWROGYOHDTROV-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C#N)CC1 1749216878 VJZDZIKVLCGKGN-UHFFFAOYSA-N 425.602 4.608 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749363917 KRKHBJXRBHUGNB-IBGZPJMESA-N 448.615 4.771 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1749448875 DCHZHLNISSRKQN-INIZCTEOSA-N 441.938 4.849 30 10 IJEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCCC2(CCCC2)C1 1749460993 LPFZXEMBXZEBQZ-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccnc1OCCCC 1749474585 ZVZXPJCFAGTKTK-UHFFFAOYSA-N 429.927 4.982 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nc(C(C)(C)C)cs1 1749564296 UEFGVXQBXHZIKO-UHFFFAOYSA-N 438.557 4.834 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1CCc1nc2c(s1)CCCC2 1749585600 AZKVXXURKBLUFK-UHFFFAOYSA-N 425.602 4.808 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 1749746636 JOVUKYNTXVJXOL-UHFFFAOYSA-N 446.064 4.972 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1749754026 DSXGNRIBMLKOEL-SFTDATJTSA-N 428.602 4.789 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[C@H](OCC)C1CCCC1 1760115268 CBUUEDNHPQIARX-VGSWGCGISA-N 430.543 4.590 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1760162101 ZBSOCAIIGURYEF-DNVJHFABSA-N 435.616 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760414311 MRDWBFTXLJGBAH-UHFFFAOYSA-N 438.597 4.940 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760432315 LDIVVQPIMKEDGI-HKUYNNGSSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1Cc1cc(C(C)(C)C)no1 1760482002 OUEJKTJZLVSIJL-OAQYLSRUSA-N 446.555 4.528 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1Cc1nccs1 1760485988 YZGAXVXTMMYDRV-UHFFFAOYSA-N 428.974 4.752 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C)C1)C(C)C 1760488075 LERYSSDAGFDWMI-KNQAVFIVSA-N 444.023 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1=CCCOC1 1760488706 CTHZSYUHRGZCQA-UHFFFAOYSA-N 429.568 4.878 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)c2cccs2)C1 1760539553 QJNMLGBRGBWOGR-FQEVSTJZSA-N 438.597 4.774 30 10 IJEE O=S(=O)(c1ccc(-c2csc(NN=Cc3cccs3)n2)cc1)N1CCCCCC1 1772721377 NZVSHHPXKYKLFR-UHFFFAOYSA-N 446.623 4.882 30 10 IJEE COc1cc(/C=C2\SC(=Nc3nccs3)N(C3CCCCC3)C2=O)cc(OC)c1O 1772737242 WYEOCGPMUBLQQP-FJGNPCKVSA-N 445.566 4.803 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1C(=O)O 1857890451 XBNAETASJBXHJZ-UHFFFAOYSA-N 428.529 4.541 30 10 IJEE COc1cc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c(OC)cc1Cl 1858203044 IXURKIBFNLQZMS-UHFFFAOYSA-N 427.913 4.816 30 10 IJEE Cc1ccc2c(CC(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)noc2c1C 1859656848 FUCKQXWNOJJLHZ-UHFFFAOYSA-N 436.475 4.540 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(CC)CC1 1861165244 NUQZZXXKLWBWQE-VWLOTQADSA-N 443.676 4.703 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1862382928 HWTVVRYACKHCJG-KRWDZBQOSA-N 434.275 4.680 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccccc2Cl)cc1 1862391935 LZXYGSKYWWDAOS-QVKFZJNVSA-N 427.928 4.642 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1F 1862463226 DTVDNTAACLFOEW-DYBLOJMWSA-N 425.353 4.759 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(Cl)cccc2Cl)cc1OC 1862578710 HCXKNCSHNXMRSK-IBGZPJMESA-N 448.302 4.751 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc2ccccc12 1862609580 PVLNBHXDTPQNAH-UPCLLVRISA-N 443.499 4.988 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 1862614662 CHYJQVOWLHCFLI-UNMCSNQZSA-N 437.511 4.881 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCO3)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862625855 ORMHHOOYKSRGGT-ZDWFVDTJSA-N 433.504 4.881 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 1862663112 PISOLQZENURHMZ-HSZRJFAPSA-N 428.488 4.689 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCOCC)cc1 1862682173 LYUOJRMLWXOXHC-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)c1C 1862944908 LXQCJBWPIOVKDI-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863030448 DQJYHJQKHPOAIA-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE CC(C)c1nc(Nc2ccc(C#N)cc2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868242006 FWXRPDRVHNZBCO-QFIPXVFZSA-N 440.551 4.500 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)nc(CCC)n1 1869227263 AOTIBTOTCROPBT-QFIPXVFZSA-N 438.019 4.680 30 10 IJEE CN(Cc1ccccc1)c1nc(NC(=O)c2cccc(C#N)c2)n(-c2ccc(Cl)cc2)n1 1870022248 OZIZHDUBECPXHQ-UHFFFAOYSA-N 442.910 4.681 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2ccc(CC)cc2)cc1=O 1870809943 DCPOYEDMMABJKI-UHFFFAOYSA-N 448.563 4.848 30 10 IJEE C#CCOc1cn(Cc2ccccn2)c(CNc2ccc(OCCCCCC)cc2)cc1=O 1871007419 BTURRACNSHVACO-UHFFFAOYSA-N 445.563 4.875 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)c(F)c4F)ccc3C2=O)c1 1871370591 SYWWGRFOSVVURJ-GRSHGNNSSA-N 426.346 4.948 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871428903 ZXIROKVYBRZTBI-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871454646 VXGGWABRGKZEKS-QRVIBDJDSA-N 444.443 4.791 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)CCCC 1872614065 YSYAXQPVAGYYNH-JOCHJYFZSA-N 442.641 4.713 30 10 IJEE CCCCCCCCN1C(=O)C(NCCOC)=C(c2c(Cl)cccc2Cl)C1=O 1873092372 GWGIMGDFMFPIOU-UHFFFAOYSA-N 427.372 4.670 30 10 IJEE OCCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(F)cc1F 1874244742 JKNGGRQLIRREHI-VULFUBBASA-N 446.567 4.672 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCCO2 1874264588 GGNAJEZXRRZVHE-YDZHTSKRSA-N 444.944 4.666 30 10 IJEE CCCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1cccs1 1874270647 HTPQQQZYRPMQNK-MFKUBSTISA-N 449.605 4.584 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1/N=C/c1cccnc1 1874289372 AXZLQQOINZIDMM-VULFUBBASA-N 449.511 4.574 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 1874420172 DVEQGWSELQMREE-OEAKJJBVSA-N 449.561 4.628 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCCC2)c1 1874452956 WXSPKOXIHXGOLN-MFKUBSTISA-N 449.580 4.866 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCCc2ccccc2)nnc1C(F)(F)F 1874461552 SWRFSDIAMPSZDN-FOKLQQMPSA-N 426.851 4.873 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2/N=C/c2ccc(F)cc2)cc1 1874493959 NGNBZDAYLXEDNZ-AFUMVMLFSA-N 437.544 4.860 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(CC)nnc1SCC(=O)Nc1cc(C)cc(C)c1 1874524021 TYNJQOXRSDLGPW-MFKUBSTISA-N 449.580 4.635 30 10 IJEE CC(C)Oc1ccccc1/C=N/n1c(S)nnc1Cc1ccc(Br)cc1 1874570551 XRLDDGYFNZLUNL-CIAFOILYSA-N 431.359 4.590 30 10 IJEE CCCCCCCCC(=O)NCCc1nn2c(COc3ccc(C)c(C)c3)nnc2s1 1874781369 RJZKLWDZHQYLMO-UHFFFAOYSA-N 443.617 4.791 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)Cc3ccccc3OC)c([N+](=O)[O-])c2)cc1 1875113969 HSTVAOSQVJGRTF-NTUHNPAUSA-N 447.443 4.656 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(Cl)c2)c(OC)c1 1875178557 PYHUQBSQHPECGB-XBXARRHUSA-N 438.867 4.571 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)cc21 1890723867 BLIFLAQPDMRSAN-UHFFFAOYSA-N 448.441 4.704 30 10 IJEE C=C(I)CNc1c(Br)cc(C)cc1Br 1895150872 ZLUFOXQOHHCERU-UHFFFAOYSA-N 430.909 4.881 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)c1sccc1S(C)(=O)=O 1912429735 GCTREDRNMXSNGI-CQSZACIVSA-N 426.947 4.811 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCCC[C@H]1CNC(=O)OC(C)(C)C 1922057574 NPLXQFKHYCVCMY-FXSPECFOSA-N 446.632 4.574 30 10 IJEE C=C([C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)[Si](C)(C)C 1923027913 UNXIMWLWZRTMFR-RCZVLFRGSA-N 445.724 4.958 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1991561521 XLOPWFMZISXXHR-GOHWNWGWSA-N 444.575 4.954 30 10 IJEE COc1cc(C=CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)ccc1OCC#N 2040483279 PZDGCVUGPOSIBG-HSZRJFAPSA-N 436.558 4.908 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c(Cl)c1F 2041172286 YYYGUUODFVEHNG-XJKSGUPXSA-N 433.749 4.809 30 10 IJEE O=c1cc(-c2cc(C(F)(F)F)ccc2F)[nH]c2c(Br)c(C(F)(F)F)nn12 2080935409 OCBDMHUDKODQRL-UHFFFAOYSA-N 444.104 4.629 30 10 IJEE C=CCN(CC[C@@H](NCC)c1cc(Br)cc(OC)c1)C(=O)OC(C)(C)C 2136327011 QWAQWRVFGSXYHD-GOSISDBHSA-N 427.383 4.922 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN(c1cc(Br)cnc1C#N)C2 2174714713 JWVHNORUDMMZCT-UHFFFAOYSA-N 429.318 4.625 30 10 IJEE CC1(C)C[C@H](CC(=O)Nc2cc(Br)ccc2C#N)N(C(=O)OC(C)(C)C)C1 2181107590 JVNKXZCIBSQPMQ-HNNXBMFYSA-N 436.350 4.685 30 10 IJEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccc(Br)c(F)c2F)CC1 2201806994 UIQJXYZTOCCYGY-UHFFFAOYSA-N 428.126 4.881 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C1CCCCC1)[C@H](N)C#Cc1ccccc1Br 2235721498 ISKSXRSJKQWTIQ-AZUAARDMSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C#Cc2ccccc2Br)c2ccccc21 2235734898 YBPZXFUBMLJIDC-KRWDZBQOSA-N 426.310 4.909 30 10 IJEE Cc1cnc(NC[C@@]23CCC[C@@H](CN2Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)c1 2241049306 LRYDTCVTVVKXHS-AMGIVPHBSA-N 447.432 4.546 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2243384832 XLDUSIOHRJXIPC-UHFFFAOYSA-N 431.794 4.919 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCC(=O)O)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2262206186 NQAOGNVACBIUII-IFMALSPDSA-N 447.572 4.655 30 10 IJEE CCN(Cc1cccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267095267 DDRBNKGTECTMJY-RBUKOAKNSA-N 444.381 4.864 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCC 2274027524 FBCZVRRBSGDSLF-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CC[C@@H](O)C#Cc2cccc(Br)c2)s1 2278727177 GUOULUQTGDYYRL-HNNXBMFYSA-N 437.359 4.598 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3ncc(Cl)cc3Cl)sc2Cl)OC1(C)C 2282616115 XCCBNGIEKDPTBG-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE O=C(C=Cc1cccc(NC(=O)C(F)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)c1 2294009874 UJUPDXQVOWPXGB-UHFFFAOYSA-N 430.304 4.584 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 2296296404 NJSKCNYCUKYKEE-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3c(OC)cccc3OC)ccc2C1=O 2296865893 MOKWYDYNNPVBQX-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE COc1ccc(C(=O)C=Cc2cn(C[C@@H](O)CN3CCCCCC3)c3ccccc23)cc1 2297359441 SFTBTYLQZYDNTR-QHCPKHFHSA-N 432.564 4.783 30 10 IJEE N#C[C@@H](CSc1cc(I)ccc1Br)C(F)(F)F 2300851358 KIMKJHWVEFRBKP-LURJTMIESA-N 436.034 4.848 30 10 IJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2317315165 GFWXCMIFTQLOBL-PKTZIBPZSA-N 439.644 4.574 30 10 IJEE CC[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H](C)NC(=O)OC(C)(C)C 2317347572 ZUKYXIITZMQQKY-FUHWJXTLSA-N 432.370 4.797 30 10 IJEE CCc1ccc(C=Nn2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2C2CC2)cc1 2320892249 AJADLDAQNCJADM-KRWDZBQOSA-N 433.581 4.570 30 10 IJEE CCN1COc2c(cc3c(c2C)OC(=Cc2cc(Br)ccc2OC)C3=O)C1 2322391281 KNENISBQUBVUFG-UHFFFAOYSA-N 430.298 4.554 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2c1C(=O)C(=Cc1ccco1)O2 2323302500 OQBSJXJTLDJGSS-UHFFFAOYSA-N 425.780 4.985 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2323423418 RUKGSTRJAHIVIH-UHFFFAOYSA-N 432.586 4.617 30 10 IJEE CCCCN(CC)Cc1c(O)cc(C)c2c1OC(=Cc1ccc(OC)cc1OC)C2=O 2324121720 WRZREKSRWUYNJS-UHFFFAOYSA-N 425.525 4.956 30 10 IJEE CCCCc1nnc(SCc2cccc(C)c2)n1N=Cc1cc(OC)c(O)c(OC)c1 2325512817 YHKSLBLGWNNCMX-UHFFFAOYSA-N 440.569 4.826 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(OCC)cc1 2325552576 VMEPPBCZNIBOAS-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE COc1ccc(C=Nn2c(CCCOc3ccc4ccccc4c3)nnc2SC)cc1O 2325882665 OZQAKHSQOHSMDU-UHFFFAOYSA-N 448.548 4.761 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(O)c(OCC)c1 2329837374 OSCVRFXZQRVGCE-UHFFFAOYSA-N 426.517 4.663 30 10 IJEE COc1ccc(C(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)cc1OC 2331163167 DSYCYCIJZXFWOF-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC(C)C)nnc1SCC(=O)Nc1ccccc1 2331429927 VYONDEOCMJPTSF-UHFFFAOYSA-N 449.580 4.654 30 10 IJEE CC(C)c1nnc(SCCCO)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331708162 IOMWOSGVDALECA-UHFFFAOYSA-N 444.988 4.991 30 10 IJEE COc1ccc(Cl)cc1C(=O)C=Cc1cc(Br)c(OC(C)=O)c(OC)c1 2331877494 UJQHDWRZCSBVNX-UHFFFAOYSA-N 439.689 4.941 30 10 IJEE C[C@@H]1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339589292 VPISRLKPNLSBIC-IEBWSBKVSA-N 444.381 4.893 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(C)(C)[C@@H](N)C#Cc1ccccc1Br 2363387919 JLVXZMGGCHNWLX-RBUKOAKNSA-N 435.406 4.944 30 10 IJEE Cc1cc(CNC[C@@]2(C)CN(Cc3ccccc3)C[C@@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369678439 DUXMGTAHBZJWTQ-DWACAAAGSA-N 448.460 4.542 30 10 IJEE COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\c2ccccc2)cc1 986858 QGJHTQOPIBQPNI-YMVPSHTBSA-N 445.544 4.856 30 10 IJEE COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 3041773 WGYQOTQVSWUBSJ-VYIQYICTSA-N 444.560 4.550 30 10 IJEE Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccc(F)c(Cl)c2)N2CCC[C@H](C)C2)n1 14160240 ZYDHCVFGZWJFGE-LBPRGKRZSA-N 434.972 4.783 30 10 IJEE CC(C)(C)/N=C1\[C@@H](N2CCOCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1 15861697 QFZAVOMZERERTG-GUTJXLKISA-N 427.536 4.777 30 10 IJEE CCCn1cc(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2ccc(F)cc2)c(C)n1 32973045 DGDNMPWRHNAGFW-UHFFFAOYSA-N 427.911 4.792 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(O)c2)cc1OC 33324905 GLYPQCYTOJRGJD-HJPURHCSSA-N 432.476 4.664 30 10 IJEE N#Cc1ccc(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)cc1 34734425 ZPLIVAVUUNDOLP-UHFFFAOYSA-N 442.494 4.711 30 10 IJEE O=C(/N=C(\NC[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 46133037 SOCQXXNGJZLGAG-KRWDZBQOSA-N 425.838 4.736 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)c1C 96512111 MECLXHLYODITDP-DHZHZOJOSA-N 433.913 4.881 30 10 IJEE O=C1C(=O)c2ccccc2C(O)=C1CCCc1ccc(S(=O)(=O)c2ccccc2)cc1 100486328 XJUPAWXOYXEMFM-UHFFFAOYSA-N 432.497 4.577 30 10 IJEE CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(Oc3ccccc3)cc1)c1nc(C#N)c(C#N)nc12 101107171 BQLWUQPWPSXJBJ-SIBVEZHUSA-N 435.487 4.806 30 10 IJEE CCc1ccc2nc(N3C(=O)C(=O)/C(=C(\O)c4ccco4)[C@@H]3c3ccc(C)o3)sc2c1 102704591 NNYABUVHNOYMJJ-HQMFNGAOSA-N 434.473 4.979 30 10 IJEE N#C[C@H](C1CCCCCC1)S(=O)(=O)c1cc(Br)ccc1Br 168021718 MWEFEZJKGHLTOY-OAHLLOKOSA-N 435.181 4.848 30 10 IJEE COC(=O)c1sc(N/N=C\c2ccc(OC)c(OC(C)C)c2)nc1-c1ccccc1 169943479 GFUALSJSNRFCNF-QRVIBDJDSA-N 425.510 4.839 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)c1 169968031 PHTAWGRLDMPXOS-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2)cc1 170054272 GRAYPLMGXUKDHG-OAQYLSRUSA-N 448.544 4.590 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2cccc(O)c2)s1 170082439 XNXHXJJADQLJCK-GOSISDBHSA-N 442.443 4.527 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2cccc(C)c2)cc1OC 170141262 VZLCGTDVZWPISZ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccn2)cc1 170171732 VHNCASJXGUWSPE-HSZRJFAPSA-N 444.487 4.660 30 10 IJEE COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@H]1c1cccnc1 170190987 YMRFNWHSCCVSKY-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(CC)cc3)[C@H]2c2ccncc2)cc1 170201222 TWZADDVEXGXRGN-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccc2OC)c1 170419508 QUTPXUUCZAOBOG-XMMPIXPASA-N 443.499 4.872 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(OC(C)C)cc1 170474400 WBVQQEAOQPKMDD-JOCHJYFZSA-N 433.508 4.865 30 10 IJEE CC(C)(C)[C@H]1CSC(=Nc2ccc(Br)c(I)c2)N1 393994047 WJCXAWCNILQLDN-LLVKDONJSA-N 439.160 4.792 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCCC 406715316 SSNGCWRJRYCOMT-ROUUACIJSA-N 429.374 4.968 30 10 IJEE CCOc1ccc([C@@H](CNC(=O)c2ccc(C#N)o2)c2c[nH]c3ccccc23)cc1OC 427982351 QQAJRUQNDGAXQM-LJQANCHMSA-N 429.476 4.602 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)NCC1CCC(C#N)CC1)C(F)(F)F 441789898 RBBOHQIWAYGDRC-UHYCVJNDSA-N 433.478 4.722 30 10 IJEE N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 480114439 DNYSNZSSEJXSHK-INIZCTEOSA-N 431.462 4.813 30 10 IJEE C=C(C)Cn1c(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)nnc1-c1ccncc1 481338611 LBYGOWQJGMUCBX-IBGZPJMESA-N 435.597 4.834 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc([N+](=O)[O-])ccc1OC 481369642 HEDKWHVKHTWEGL-UHFFFAOYSA-N 426.498 4.561 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 498690320 XYSPQDLTLNIRIK-DNQXCXABSA-N 438.522 4.758 30 10 IJEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508935205 MJZXQMPOQNCULW-UHFFFAOYSA-N 444.579 4.666 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[S@@](=O)C(CC)(CC)C1 508952893 ROVSJPXKWDQTCH-HHHXNRCGSA-N 427.401 4.565 30 10 IJEE Cc1ccc(SC2=C(N3C[C@@H](C)C[C@@H](C)C3)C(=O)N(c3ccccc3C#N)C2=O)cc1 526685675 DDIAVQKGZPBRCG-HDICACEKSA-N 431.561 4.722 30 10 IJEE C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(-c2csc(C)n2)s1)c1ccccc1 550510687 SIJICWUKHOBTHA-GOSISDBHSA-N 425.579 4.620 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(c2cnn(C)c2)CC1 555242709 WJGNUEUTQCOVAS-UHFFFAOYSA-N 431.371 4.946 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 555264719 VWNZWESBLDDMKZ-BVAGGSTKSA-N 428.536 4.556 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 558997995 XXRJSHRNKSIIBN-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C)c1C 733198604 ZUTAZDSISKXTTI-QFIPXVFZSA-N 433.577 4.904 30 10 IJEE C#CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2I)cc1 733844759 BWZHCRBSIGTJLW-LJQANCHMSA-N 446.288 4.672 30 10 IJEE COc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)cc1C#N 747443887 MAOAFFZAZZXAFM-UHFFFAOYSA-N 428.517 4.665 30 10 IJEE N#CC1CCC(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)SC2=Nc2ccccc2)CC1 799458430 WJOUBANJTBQSTL-OBFZPWGMSA-N 446.576 4.977 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 809884263 FZDNEWYUYPOBKI-JOCHJYFZSA-N 431.540 4.540 30 10 IJEE Cc1ccccc1CSc1nnc(NN=Cc2ccccc2OCc2ccccc2)n1N 1084107270 JYHQBRPHIDNYGL-UHFFFAOYSA-N 444.564 4.618 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)/C=C\c2cccc(-c3ccc(Cl)cc3)c2)c1 1125505469 NQTIBZSTFUOCMY-GDNBJRDFSA-N 428.919 4.781 30 10 IJEE N#Cc1ccc(SCC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)cc1 1128089361 AVIBOSUTKVDFBK-LJQANCHMSA-N 429.383 4.940 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)cc1 1129378945 DZCHQTUVJGPVDF-UNMCSNQZSA-N 443.385 4.930 30 10 IJEE N#Cc1cccc2c1CCN2C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 1130108030 HLKUVFKSKJXOGK-UHFFFAOYSA-N 430.817 4.678 30 10 IJEE C=C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(CCCC)cc3)c2)CC1 1136632724 IWSRBEPWZXXXQM-UHFFFAOYSA-N 426.582 4.931 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1NC(C)C 1137155508 XTEOCZJACIWIDF-INIZCTEOSA-N 438.366 4.515 30 10 IJEE C#CCOc1ccccc1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC 1138308734 BEOIMTKUZUWYCO-FQEVSTJZSA-N 438.524 4.692 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)c1ccc(F)c(F)c1 1154674945 KNVBEKHXPAHVCA-HXUWFJFHSA-N 433.499 4.684 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1156783707 VKNBYFHVKZJCDX-FQEVSTJZSA-N 426.582 4.625 30 10 IJEE C=CCn1c(SCC(=O)Nc2c[nH]c3nccc-3c2C)nnc1-c1ccc(Cl)cc1 1178669117 FACVPEHQMZMIJI-UHFFFAOYSA-N 438.944 4.652 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 1179549444 CVMSKMXCACUJTD-UHFFFAOYSA-N 444.988 4.561 30 10 IJEE COc1cc(F)c(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1F 1187063787 GYMBYANREBWFNY-UHFFFAOYSA-N 448.878 4.894 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(C(=O)OC)c1Br)c1ccc(Cl)cc1F 1204796635 BUIIXKCHRVJWSX-CQSZACIVSA-N 439.668 4.524 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1230276410 CZMDCFBVYDJUDR-PGRDOPGGSA-N 445.560 4.561 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 1254824185 IDXRQJVBXDJOPQ-LEWJYISDSA-N 429.442 4.686 30 10 IJEE CCOC(=O)c1c(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c(C#N)cn1CC 1276335901 GEJAZFQOZBWWFV-UHFFFAOYSA-N 444.463 4.519 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1286344267 QGPKFDJIJOFRRK-MRXNPFEDSA-N 436.357 4.640 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1286356867 OCWSVRFHXGBAKF-KRWDZBQOSA-N 445.405 4.905 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCOC1CCCCCC1 1286438845 JJEKXPLTZQDUBT-UHFFFAOYSA-N 429.568 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCCn1ccnc1C 1286565508 DHJCFSAUKBDUOA-UHFFFAOYSA-N 449.422 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCSC(F)(F)F 1286573290 IQRBJYNWUPQBMS-UHFFFAOYSA-N 436.507 4.786 30 10 IJEE C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286584519 MBDHCAJADJZLBB-SFTDATJTSA-N 435.547 4.978 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCN2CC)CC1 1286651084 RGJRSWKBSGQOMO-LJQANCHMSA-N 432.037 4.865 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1286655136 KNAANGJDIOBZPL-UHFFFAOYSA-N 437.510 4.523 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2Cc2csc(COC)n2)CC1 1286665074 QWKGSFHUSNPMTK-UHFFFAOYSA-N 437.613 4.507 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCC[C@H]1C 1286714678 SMWWRCXQYLQNQY-IEGUWTFLSA-N 432.996 4.862 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286772254 WTVJLEFADZOVAM-XLIONFOSSA-N 439.604 4.778 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)cc2SC)C1 1286811611 FZJPZNNZOQURAZ-HXUWFJFHSA-N 440.638 4.790 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1CSC 1300352553 MOXQJYKXYWTGFU-MRXNPFEDSA-N 433.419 4.843 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC)CC1 1300376517 LIOZDQXQOUHGQB-FQEVSTJZSA-N 429.609 4.780 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN(C(C)C)C(C)C 1300438681 RWJFLHIYZFHBAO-UHFFFAOYSA-N 446.643 4.931 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)C(F)(F)F 1300516282 LAQJBHISCMXNAR-OAHLLOKOSA-N 434.531 4.793 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCN(C)C1CCCCC1 1300648900 QOYCDBAIDIJVBL-UHFFFAOYSA-N 437.607 4.979 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[C@H]1CCO[C@H](C)C1 1300656516 IQNBYMGLGLSFEJ-RTWAWAEBSA-N 438.616 4.534 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1300742631 PSROANDYAQHBNA-WIYYLYMNSA-N 426.630 4.613 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C)C2(CCC2)C1 1300747037 WTCSNMDJKRGLJB-KRWDZBQOSA-N 445.032 4.990 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCO[C@H]1CCCC[C@@H]1C 1300809249 VQNYSKZRNLUYNO-KDSXSNECSA-N 442.554 4.735 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1300843504 FZCUALXWRHXDOS-GOSISDBHSA-N 435.366 4.623 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H](c1cccs1)N1CCCC1 1300919106 VLFCZBQNSUPCIQ-OAQYLSRUSA-N 436.629 4.565 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1301089053 PKCVSXKHXLQMNX-OYRHEFFESA-N 427.662 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC[C@@H]1CCO[C@H](C)C1 1301279288 ZWGHGGJBBIKSOC-HZPDHXFCSA-N 449.393 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)C(=O)NC 1301372361 KYRYLOLLQAYDCO-UHFFFAOYSA-N 444.004 4.764 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)C(C)C 1301399462 NUQZCTULCJLUJW-XMMPIXPASA-N 439.991 4.636 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCc1nc2c(s1)CCCC2 1301403139 VQZJWYBRZRIQJO-UHFFFAOYSA-N 439.629 4.982 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C)[C@H]2C)n1 1302540886 DFKVYEHRGMWEFH-HZPDHXFCSA-N 438.626 4.775 30 10 IJEE C=C(C)CN(CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)Cc1ccccc1 1307742930 VDROVEZCCZHWPQ-UHFFFAOYSA-N 437.565 4.844 30 10 IJEE C=CCC[C@H](CO)NC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 1309975910 FIWJPWFQVFSHDS-MRXNPFEDSA-N 439.409 4.545 30 10 IJEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1cc(C#N)ccc1OC(F)F 1310253304 FPIKBMILQBGEIY-OAQYLSRUSA-N 440.491 4.611 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2OC)c1 1310303497 WMKSIXIJDPKYIJ-IBGZPJMESA-N 429.314 4.839 30 10 IJEE N#C[C@@H]1CN(C(=O)N[C@H](CCc2ccccc2)c2ccccc2)CCN1Cc1ccccc1 1311632223 HFPFJONOLZHDNH-KAYWLYCHSA-N 438.575 4.780 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1C)c1ccccc1 1312334046 GPKBZNUGDDRSDB-XMSQKQJNSA-N 445.401 4.915 30 10 IJEE C=CCO[C@@H]1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C)oc23)C1 1320031063 VNIMGVUWGPNRLB-MRXNPFEDSA-N 425.912 4.904 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(OC)cc(OC)c1)c1ccc2c(c1)OCO2 1347908613 DDWTYQFYEPDIPS-UHFFFAOYSA-N 447.487 4.844 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)CCc2ccccc2F)c(C(=O)OCC)c1C 1349733394 GOKDQIBLXVTBKB-CQSZACIVSA-N 447.528 4.923 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC(C)(COC)CC1 1358908719 HMRYVKPJRQQWTJ-UHFFFAOYSA-N 445.405 4.764 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@@H](C)C1 1358915817 QNJWMFZTRKSLLK-IBGZPJMESA-N 447.048 4.997 30 10 IJEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1ccc(Cl)s1 1358918861 JJBKBNAHHBYUOM-UHFFFAOYSA-N 441.988 4.912 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(CCOC)CC1 1358938729 ILKCGYRKKAOTPZ-GOSISDBHSA-N 430.980 4.574 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCCC(F)(F)C1 1358982941 PQTQNRRQFOHUHL-FQEVSTJZSA-N 440.538 4.708 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCC[C@H]1C 1358986313 ULTAFQOUVFLKME-FSSWDIPSSA-N 434.584 4.716 30 10 IJEE C#CCN(CC)c1nnc(CC(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1359010569 UAPKBTVXUDFFQF-UHFFFAOYSA-N 439.604 4.916 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCC[C@H]1CC 1359074094 QHNNIFBHGBYHQD-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@](C)(CC)C1 1359077613 GZLCXBPYFQYHNJ-WIYYLYMNSA-N 433.394 4.734 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN(C)[C@H](C)CC)CC1 1359160370 SHNLOKJNKRXGFQ-RTBURBONSA-N 432.012 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359185149 MLIPIPOTJMLGTR-QFIPXVFZSA-N 448.398 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCN(CCC)CC1 1359186002 QJIBJKOKQHLECH-UHFFFAOYSA-N 439.604 4.587 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 1359194248 RQDVMXNIUCUBNL-HYBUGGRVSA-N 449.643 4.893 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)OC)C1 1359313376 LBDJWCHQGVUODL-JOCHJYFZSA-N 449.599 4.559 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-n2ccc(C)n2)cc1 1434994705 CPCZXDQGQBFMFZ-UHFFFAOYSA-N 428.305 4.911 30 10 IJEE COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cc12 1441057608 BZJPHUPCTZMZPP-UHFFFAOYSA-N 446.850 4.919 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(CN(C)C)cc2OC)s1 1451084849 BCWCUPBJFVGTQB-UHFFFAOYSA-N 426.007 4.548 30 10 IJEE C#CCOc1ccc(C(=O)N(CCNC(=O)OC(C)(C)C)Cc2cccc(Cl)c2)cc1 1455796430 ZMBWBMWOFYVWBJ-UHFFFAOYSA-N 442.943 4.519 30 10 IJEE C#CCN(C(=O)c1ccc(N2CCCCCC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1455810286 IWOLVQNATQMEPZ-UHFFFAOYSA-N 439.600 4.542 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(Br)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1458095346 ZQMHMWJHZITDSK-IBGZPJMESA-N 441.753 4.834 30 10 IJEE Cc1cc(CN(C)CCC(=O)N(C)CCC#N)cc(C)c1OCc1ccccc1Cl 1459500471 GNGXPEZULFCVCV-UHFFFAOYSA-N 427.976 4.730 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c1C#N 1460567562 FKKCJGRJCXBNSZ-VGSWGCGISA-N 443.569 4.586 30 10 IJEE C#C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccc(Cl)cc1F 1460791383 UTRJDGLCBOIVMA-SFTDATJTSA-N 430.907 4.611 30 10 IJEE CN([C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc(F)c1C#N 1463428860 FBXXVMLJMBDDMN-MAUKXSAKSA-N 426.435 4.673 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)c3cnc4c(c3)NC(=O)CS4)cc2Cl)cc1 1464371034 GEBTYHFULWEKTK-UHFFFAOYSA-N 436.880 4.695 30 10 IJEE COc1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2Br)cc1C#N 1467164234 CYFKNSXTKORXAP-GOSISDBHSA-N 428.330 4.958 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 1469207783 YQNMDRVUPGBPGX-JOCHJYFZSA-N 440.979 4.691 30 10 IJEE C#CCCN1CCN(c2nc(-c3ccc(OC(F)F)cc3)nc3sc(C)c(C)c23)CC1 1472684897 QTABWYVEZXOMJC-UHFFFAOYSA-N 442.535 4.722 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(Br)c1 1475418281 DLEMJUZCRNWYIE-LBPRGKRZSA-N 447.276 4.571 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 1476141659 HQCWVPWLXNJQKQ-QGZVFWFLSA-N 444.601 4.803 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)CCCc3cc(-c4cccc(F)c4)n[nH]3)cc21 1477135480 DSWACXLVOQZPDQ-UHFFFAOYSA-N 432.503 4.848 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](F)C1 1504447072 BKAJUQXKAHJTRC-MOPGFXCFSA-N 443.592 4.847 30 10 IJEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)CC(C)(C)C2)CCOCC1 1505188900 FODNIZVCFLAWCH-GOSISDBHSA-N 439.629 4.601 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C2CC2)CC1 1507676233 LJSRETFTDACOLT-UHFFFAOYSA-N 443.378 4.817 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(SC)CC1 1507698985 XFUAVBVHPCJHSK-UHFFFAOYSA-N 425.385 4.519 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)C/C(C)=C\c1ccccc1 1507787556 IDCIHCVIPYNFAM-LGMDPLHJSA-N 438.373 4.712 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1SC 1507800288 MTRPKKCEOYXZAO-UNMCSNQZSA-N 435.597 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(Cc2ccccc2)C[C@@H]2CCCO2)nnc1C(C)(C)C 1507811906 UXAVKGJEZPHJMZ-VABKMULXSA-N 438.616 4.742 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1507845876 RVXOKXNDLORBCE-GOSISDBHSA-N 432.996 4.771 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1507880241 IVCKUDGQACRCNS-JTSKRJEESA-N 447.421 4.970 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCN(CC)CCC)CC1 1507896966 DDWZMLAUGQOJNM-UHFFFAOYSA-N 432.616 4.936 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1507942510 RRIHVKKFJJVBAO-GOSISDBHSA-N 433.478 4.864 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1507943677 KPYFHLSZTPDYMY-XZOQPEGZSA-N 434.588 4.581 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@](C)(O)c1cccs1 1507985737 MRJMHHXQLFUDQC-DEOSSOPVSA-N 440.613 4.880 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1508046612 CZBOYEJRZNDNEC-LBPRGKRZSA-N 425.758 4.551 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC(F)(F)F)C1 1508114925 CQUIHZUEAGVVEG-MRXNPFEDSA-N 446.420 4.670 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1510288746 HXFZWHQNMFZWJY-KOSHJBKYSA-N 425.552 4.953 30 10 IJEE C#CC[C@]1(C(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1517845379 REKQXEYOXLATBD-AFMDSPMNSA-N 442.600 4.661 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC(CC#N)CC2)n1CC1(SC)CC1 1518009891 HBVOXOIAKPYBRM-UHFFFAOYSA-N 431.993 4.633 30 10 IJEE N#CCC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(F)(F)F)c2)CC1 1521143111 DNDKMBLCPQNNOL-IBGZPJMESA-N 433.478 4.717 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnnn1-c1cccc(F)c1 1526362317 CQIDZUZHKLQYBA-UHFFFAOYSA-N 429.430 4.573 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(Br)cc1 1528498690 ZMDMVLUHJQQILW-IBGZPJMESA-N 428.717 4.701 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 1528528196 QGXVCFWBMWAJEF-DBXWQHBBSA-N 447.417 4.861 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H](C)CC(F)(F)F)nnc1-c1ccc(Cl)cc1 1528871944 NPDSOLDDSCUKAF-GFCCVEGCSA-N 432.899 4.581 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 1529485025 DAACPSHNQRSWJX-UHFFFAOYSA-N 426.295 4.887 30 10 IJEE C=C[C@H](COC)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 1529849289 IIRHFTVOQUJLLX-YWXUCKCNSA-N 443.503 4.951 30 10 IJEE CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@]3(O)/C=C/CO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1 1531866143 RCOWGILQXUPXEW-XGWHKFLQSA-N 447.619 4.932 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1532324753 KRPLRLNUAKRRMM-ZJSXRUAMSA-N 440.609 4.832 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C(F)(F)F)cc1 1532559862 VGGDGWQRAVFPDW-AUUYWEPGSA-N 439.792 4.660 30 10 IJEE COc1ccc([C@@H](NC(=O)COc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2)cc1 1534853656 HYRTWRHSRDBGQN-QHCPKHFHSA-N 440.421 4.870 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1ccccn1 1539055682 FQJZCTFDQGCUIS-UHFFFAOYSA-N 442.336 4.682 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(c2nccs2)CC1 1539071207 PTAUMBPVWZVCAS-UHFFFAOYSA-N 441.551 4.791 30 10 IJEE C#CCCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1539082299 QKEBLZRUBIHGJD-NZQKXSOJSA-N 438.616 4.819 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCC=C 1539304640 DIBNDDLJYSDDDQ-UHFFFAOYSA-N 431.765 4.790 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC12CCOCC2 1539306248 VLVYIHFTTOYLQD-HSZRJFAPSA-N 430.596 4.522 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@H](C)N1CCCCC1 1539342930 CEXASINKZVAKTH-GMAHTHKFSA-N 437.632 4.759 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCC1(C)C 1539397147 YUSRUTNAKOUAFI-YADHBBJMSA-N 438.616 4.947 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C)C(C)(C)C1 1539599842 GBMOUNCWJQAYSU-HNNXBMFYSA-N 433.394 4.659 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(OC)C1CC1)C1CC1 1540101809 MLWLFJYQHSXYJB-NRFANRHFSA-N 449.368 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1540142418 KNTRZHJZGXHVSC-INIZCTEOSA-N 431.606 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1ncc(CC)s1 1540146388 FKXJEOBVTBAPRZ-UHFFFAOYSA-N 436.610 4.585 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)c1ccccn1 1540194473 PLFNTIMLZBBOSP-UHFFFAOYSA-N 443.954 4.749 30 10 IJEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 1540549867 ASVLWSDGMFEHIW-OAQYLSRUSA-N 446.353 4.963 30 10 IJEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)C1 1543596695 IECVXNZHSYZBRX-CIAFKFPVSA-N 434.632 4.667 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C(C)C)CC1 1547292099 AUWPDICTVVWXLH-AKIFATBCSA-N 437.588 4.731 30 10 IJEE CC#CC[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 1557364727 XBPJXAFGOJRROJ-XLEPWJDSSA-N 430.935 4.879 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(C(F)(F)F)cc1 1561402770 SCJFMGQLQHVIDV-HXUWFJFHSA-N 426.504 4.753 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)C1CCOCC1 1562178297 CERHSYBNYGOMRW-LJQANCHMSA-N 445.441 4.508 30 10 IJEE C=CCC(C)(C)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1564825139 GEDHIBNKMDGQJG-WOJBJXKFSA-N 433.568 4.820 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 1566221352 YLMYOAXMYQXXLN-CRAIPNDOSA-N 426.479 4.622 30 10 IJEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1567154223 DKORTXLVVCOXMU-DEOSSOPVSA-N 431.536 4.515 30 10 IJEE C=CCCOCCCCC(=O)Nc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cs1 1569935959 CRZDJEJXGDTUMQ-UHFFFAOYSA-N 437.606 4.959 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1585881773 IZYUOLGVDJYBAL-INIZCTEOSA-N 425.326 4.577 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cccc(C)c1 1587712244 QFHXOGCPSWWIDY-UHFFFAOYSA-N 440.389 4.794 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccccc1F)C1CC1 1587817735 FCLFABFBSOHLEK-UHFFFAOYSA-N 442.336 4.757 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)CCC 1587855772 AWYJGOHRVWFEPJ-LJQANCHMSA-N 431.625 4.678 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSC[C@H]1C 1587879409 UPVLQZWAUZNJFS-GOSISDBHSA-N 433.021 4.607 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C4SCCCS4)cc3)c2C#N)C1 1588069729 ASZTWIFJCVBNQT-UHFFFAOYSA-N 443.619 4.645 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C(C)C)N1CCCC1 1589609203 UYMPHPMKXFCAFK-DEOSSOPVSA-N 447.631 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCOCC1 1589615056 JBYOBZZSFZHRLZ-UHFFFAOYSA-N 439.648 4.756 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCOc1ccccc1 1589742106 FKKPVWOIHBVVRV-UHFFFAOYSA-N 433.375 4.860 30 10 IJEE C=C(C)COCCn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCN(CCC)CC1 1593711227 CHWFXWZEUDTMTB-UHFFFAOYSA-N 437.588 4.595 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCSC2(CCCCC2)C1 1593758090 ULNLFRUAQHWVEN-UHFFFAOYSA-N 432.659 4.779 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1593763693 OTPVGHBAUWQAIV-SFHVURJKSA-N 432.996 4.976 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCC1)c1ccccc1 1593782320 MYMYXGNGQVBOII-UHFFFAOYSA-N 426.362 4.748 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(O)(CC)CC)CC1 1594127876 JACVWNNQHDNTOO-UHFFFAOYSA-N 439.387 4.871 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(SC)CC2)CC1 1594128670 TXJGKEDULYOOOT-UHFFFAOYSA-N 449.418 4.672 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2Cc2oc(CCC)nc2C)CC1 1594437343 IVSQPASNXVQZKE-UHFFFAOYSA-N 439.535 4.696 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cnn(C)c1 1594572801 KMXXRZRQAHACFN-UHFFFAOYSA-N 447.356 4.573 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCC1(F)F 1595119813 GIJMTAFASRAELA-GOSISDBHSA-N 449.521 4.574 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCc2nc(C)cs2)C1 1595705590 BOOQOTINHXYNLL-HXUWFJFHSA-N 437.613 4.823 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(Cn2cc(Br)cn2)on1)c1ccccc1 1598379673 KTPHLWPEQWSUKL-SFHVURJKSA-N 429.318 4.509 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2nc(C(C)(C)C)cs2)c1 1612233051 ADEZLESRDOJWGF-QGZVFWFLSA-N 438.601 4.706 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1616400078 WLRUTAZWCIJZCE-HSZRJFAPSA-N 432.486 4.978 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCNc1cccc(Br)c1 1623973109 GJPYPHLKIPLHFH-UHFFFAOYSA-N 443.263 4.875 30 10 IJEE C=CCC[C@H](C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccccc1 1624203727 QSSKVHGXIDDMNS-HKUYNNGSSA-N 434.349 4.605 30 10 IJEE C[C@H](CN(C)C(=O)CCCC(=O)Nc1ccccc1C#N)Oc1ccc(Cl)c(Cl)c1 1625184093 BDSBCJKFSCLQSW-OAHLLOKOSA-N 448.350 4.900 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C 1628203158 NHISYTZKTJIFLH-KRWDZBQOSA-N 428.401 4.581 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 1629896194 XRGSDLFUPJVGSQ-HXUWFJFHSA-N 432.923 4.619 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccn1)c1ccccc1OC 1632192828 WIGFNELOCVJQOZ-RBBKRZOGSA-N 439.556 4.545 30 10 IJEE C#C[C@H](NC(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cc1F 1632849637 AAJCXDKZXYDBJO-YVHKJVDXSA-N 427.951 4.609 30 10 IJEE C=C(C)CONC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1636607283 UFWHINNUSKSBBP-SFHVURJKSA-N 440.396 4.961 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](c2cccs2)C(C)(C)CO)s1 1639152102 AOPRBMBLILZYFL-INIZCTEOSA-N 431.048 4.776 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC(C)(C)C)CCCCCC1 1639773855 JXJCFHUGSKUERH-GOSISDBHSA-N 438.609 4.787 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@H]3[C@@H](O)c3ccccc3)c2)c1 1644024668 BCJFUEHUTQYIFX-UIOOFZCWSA-N 426.516 4.866 30 10 IJEE C=CCN(Cc1cccc(CN2CCOCC2)c1)Cc1cc(Br)ccc1F 1644504867 SEMYNAHIOXPGLO-UHFFFAOYSA-N 433.365 4.609 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 1645391561 RMCWFYLGNBWOKS-NHCUHLMSSA-N 430.589 4.832 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)c1ccc(Br)cc1 1645728466 YIMUWYOIBDIEAT-BLLLJJGKSA-N 445.785 4.705 30 10 IJEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(Oc3ccc(Cl)cc3)c(F)c1)C2 1646250625 IADWFGBIZRODBU-UHFFFAOYSA-N 427.888 4.985 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cc21 1648046395 WYIKYYMHSNXTJI-UHFFFAOYSA-N 438.553 4.829 30 10 IJEE COc1ccc(-c2nnc(Sc3cc(C)c(C#N)cn3)n2CCc2ccccc2)cc1 1649987742 CDPHYNFMHGEZHI-UHFFFAOYSA-N 427.533 4.923 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1650974948 WHDZZWYCILCFQV-GPQLQYNLSA-N 447.641 4.840 30 10 IJEE C=CCC1(O)CN(C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 1651764171 RMKFSKZASWSEPH-UHFFFAOYSA-N 438.427 4.528 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1OC 1651866735 ZZVSUNHUAJBSPI-UHFFFAOYSA-N 429.948 4.572 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cn(CC2CC2)c(CC)n1)c1ccc(C(F)(F)F)cc1 1654701989 BGXTXIYFEZFLSD-GOSISDBHSA-N 441.519 4.860 30 10 IJEE C#Cc1cccc(NC(=O)N2CCC[C@@]2(C)Cc2ccc(I)cc2)c1 1657677541 CJHHHBPMSQMSCG-NRFANRHFSA-N 444.316 4.902 30 10 IJEE C#C[C@@H](N[C@H](C)CC(=O)N(C)Cc1ccccc1Cl)c1ccc(Br)cc1 1658192854 GBURNQBSOSSBGF-FOIQADDNSA-N 433.777 4.804 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCN(C(=O)c2sc3ccccc3c2C)CC1 1658251642 VMVQHYUDFVNLJH-UHFFFAOYSA-N 438.980 4.833 30 10 IJEE C#Cc1cccc(NC(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c1 1667090187 NOVYTPPXLIJTDP-UHFFFAOYSA-N 429.705 4.973 30 10 IJEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 1667161712 OOLOPDNURSRRBX-MRXNPFEDSA-N 429.442 4.513 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(Br)cc1 1668074512 KUFBPQNZDUBYRJ-FQEVSTJZSA-N 447.336 4.860 30 10 IJEE CC1(C)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)c2cc(Br)ccc21 1668772780 AYNXRLNAKUAGNR-UHFFFAOYSA-N 439.762 4.851 30 10 IJEE N#Cc1ccc(F)c(NC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 1670757364 IESFLWCPYBUZPV-UHFFFAOYSA-N 425.467 4.931 30 10 IJEE C#CCN(C(=O)NCCc1cnc(SC2CCCC2)nc1)[C@H]1CCCc2ccccc21 1673150800 ZSTQKRDDLRIPNL-QHCPKHFHSA-N 434.609 4.776 30 10 IJEE C#C[C@@H](NC(=O)N(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 1674015095 QIXDGKPEYHLYHZ-OAQYLSRUSA-N 436.358 4.970 30 10 IJEE CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCCN(c2ccccc2C#N)CC1 1678110796 CGMOWOIFSQHERK-HXUWFJFHSA-N 444.501 4.820 30 10 IJEE C#C[C@@H](NC(=O)N1CCOc2cc(Br)ccc2C1)c1ccc(Cl)cc1F 1683689724 RKKHMWWELSLLHV-QGZVFWFLSA-N 437.696 4.520 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CC1 1685065713 JNNPXWWRXBFUDQ-IIDMSEBBSA-N 443.345 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCc1csc(C)n1 1689862477 ABJLQHIJGQDXFI-KRWDZBQOSA-N 437.613 4.620 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@](C)(OC)C1 1689879582 AONKJHDWHHWWEJ-QFIPXVFZSA-N 445.405 4.825 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(C)OCCc2sccc21 1690038235 IASBANMELJRZDF-SANMLTNESA-N 444.604 4.520 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(C)CCCC1 1690106193 NLGQOVXUWDFTPD-UHFFFAOYSA-N 438.616 4.821 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)CCC 1690166024 RTONHYNQAGBJRD-INIZCTEOSA-N 435.435 4.946 30 10 IJEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1690230454 DOCIWUVSVPDOBY-AWEZNQCLSA-N 448.315 4.648 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(C)CCCO1 1690271700 ZEMMCUMXTNKWHR-OAQYLSRUSA-N 449.393 4.591 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccccc1 1690302322 ANFOMARVPVSESU-MRXNPFEDSA-N 444.377 4.826 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F 1690311221 FTUMWPPVRGRSHB-IBGZPJMESA-N 438.494 4.768 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1690316242 AXBHDNTYLRNNSP-OAHLLOKOSA-N 447.555 4.702 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@H](C)[C@H]1C)c1ccccc1 1690445112 RRUDHIBMOQWWFX-TXTKFYIRSA-N 433.625 4.954 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1690502904 JSIFAURPWUONCQ-KNQAVFIVSA-N 426.605 4.839 30 10 IJEE C=CCCOCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1690510941 JZTJMEVZQHXYBP-VXKWHMMOSA-N 438.616 4.840 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1OCCC1(C)C 1690605466 LEHKCGDGWVLFTI-QFIPXVFZSA-N 436.556 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1690609625 VLIIMEOXWXUYTI-CEQLMSFQSA-N 440.613 4.962 30 10 IJEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1690629841 ITOOLWPEHBWWRI-UHFFFAOYSA-N 448.390 4.589 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2sccc2Br)C1 1690689691 JVXRTVBKRFZKRM-CQSZACIVSA-N 449.374 4.500 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)Cc2cccs2)C1 1690706304 IDCXPBKYXRZXQM-RXVVDRJESA-N 440.588 4.730 30 10 IJEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)C1CCCC1 1690717436 GFMALUJQGYLZOQ-UHFFFAOYSA-N 444.645 4.612 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)c2ncc(C)s2)c1 1692961871 AMYDUBNPTATKCV-QZTJIDSGSA-N 438.601 4.781 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2sc(C)nc2C)s1 1694562707 HTTRIIVZSYXUPU-UHFFFAOYSA-N 449.609 4.594 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(C(F)(F)F)c1 1705483926 FRWQNQFYVNTALR-LBPRGKRZSA-N 437.828 4.658 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(C)cc(OC)c1 1705606978 MSBVDKDHBOSIKI-KRWDZBQOSA-N 434.609 4.956 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1705724273 CDOCMOULJXGKJH-GOSISDBHSA-N 434.588 4.684 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC1CCOCC1 1705733818 VHWRBSMHHSEWJQ-UHFFFAOYSA-N 439.387 4.707 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OC(F)(F)F)CC1 1705780180 IQPMYSRUWKUBJZ-UHFFFAOYSA-N 443.473 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705788887 QKPCFOLMHYPJAX-UHFFFAOYSA-N 437.632 4.805 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](NC(=O)CC)C1 1705814281 JYJOFZDMVXTORC-IBGZPJMESA-N 441.645 4.737 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1705827068 SNLBVUNUFJINHU-LPHOPBHVSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCc1c(C)noc1C 1705866031 FLOKUXFLJNUCCQ-FQEVSTJZSA-N 427.574 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1705875472 UEQJCWXTYYRGFG-QFIPXVFZSA-N 434.506 4.639 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1705941305 GOTWGEKCXGZXRP-QFIPXVFZSA-N 426.630 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722287051 LTBPXLVTOKTBRH-NJYVYQBISA-N 444.627 4.708 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1722311976 QCSTVYQTURJREZ-OAQYLSRUSA-N 434.975 4.878 30 10 IJEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(F)(F)F)CC1 1722317227 DIVQOHDWJCSJME-UHFFFAOYSA-N 434.506 4.654 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1ncc(C)s1 1722373748 QDZCFENRUYEWDS-NQIIRXRSSA-N 447.608 4.676 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CCc1ccsc1 1722389995 XZMPMKCSAFTHML-UHFFFAOYSA-N 445.411 4.536 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1722404078 PEOFHACADKDGFO-OFNKIYASSA-N 431.584 4.607 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCCN(C(C)C)C1 1722404940 HMVVKINRENCMDA-PMACEKPBSA-N 439.673 4.711 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1cccc(C)n1 1722406026 UIJKPVGGXCSRHU-UHFFFAOYSA-N 442.592 4.783 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCSc1nccs1 1722472363 JHIXVPWTXASCCG-JOCHJYFZSA-N 441.601 4.639 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)N1CCCCC1 1722476001 LFSDHZGJQDHENJ-HHHXNRCGSA-N 449.643 4.731 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1722494348 LZBUFMSLJWPAHX-QRFRQXIXSA-N 430.980 4.583 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1722496782 NBKFZVZOEBYMBX-SQGPQFPESA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1c(C)noc1C 1722512981 OUPMNCNHYVYSKI-UHFFFAOYSA-N 430.350 4.763 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CCSC 1722523137 CISYSGIRHWVVKW-QGZVFWFLSA-N 437.654 4.547 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1Cc1cccs1 1722532019 ZJGDVBIZKUWECI-IBGZPJMESA-N 438.597 4.819 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722546887 CJEWZPWLKRSNCZ-ZDUSSCGKSA-N 437.306 4.566 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H](CC)C1 1722553689 FDSKYUOFOUMFGH-CQSZACIVSA-N 425.758 4.608 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](OC)[C@@H](C)CC)CC1 1722579012 GJAFVENPNOJPFK-WMZHIEFXSA-N 426.605 4.937 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1722594284 IWKBDMWBZKIFOA-OAQYLSRUSA-N 428.540 4.941 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccc(OC)c(OC)c1Cl)C1CC1 1722646526 QUWTZJBOBIVMFM-UHFFFAOYSA-N 442.947 4.915 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1722651279 HFRSZWJTCGDQPY-IRLDBZIGSA-N 437.632 4.749 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CCc1ccn(-c2ccc(F)cc2)n1 1722663551 AXOUSXZPRXJULJ-UHFFFAOYSA-N 436.560 4.662 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1)C(C)C 1722667794 XEAHNYHOQYAKCI-NHCUHLMSSA-N 431.669 4.569 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccc(C)cc2)C1 1722722618 QHMIYCZNRGPKGG-YTFSRNRJSA-N 438.616 4.529 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1722742569 XYGQNCCXCSOJEW-FQEVSTJZSA-N 444.601 4.567 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 1723548323 AZINOGMHYKHAMF-GGAORHGYSA-N 434.632 4.810 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2ccc(C#N)cc2)n1CCCC(F)(F)F 1730750763 DHTKWEJIXSLINW-UHFFFAOYSA-N 447.461 4.714 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCC[C@H]1CCCCO1 1740537280 CDMWNHBURHFIIN-VQIMIIECSA-N 431.378 4.515 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1ccccn1 1740541173 TVSMWCHRFGNHSF-QGZVFWFLSA-N 431.540 4.908 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCCCC1 1740755166 YKVDOJXGZOPVHP-GHTZIAJQSA-N 425.533 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCc1ccccn1 1740770308 NQWBCEKPQPCIBL-UHFFFAOYSA-N 444.352 4.887 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1740790927 OYRXGJHQXKVEQV-UHFFFAOYSA-N 449.452 4.727 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740846692 IDLWEZDNMCFMRC-UHFFFAOYSA-N 448.468 4.922 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(F)(F)F 1740858253 MQXJMMYTMPTURE-UHFFFAOYSA-N 434.304 4.791 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@H](SC)C(C)(C)C 1740916713 VYJHAOXTVWGWIP-NHCUHLMSSA-N 439.629 4.624 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H](C(C)C)N1CCCC1 1740919168 XCWSYEBLJKQYHJ-XMMPIXPASA-N 430.600 4.653 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@H]1CCCN(C(C)C)C1 1740920883 XJVRKCFOUKTEJE-OAQYLSRUSA-N 425.596 4.683 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccsc1 1740934092 RNICTCPIIPWABA-KDURUIRLSA-N 443.617 4.531 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN(C(C)C)C(C)C)CCS1 1741401344 HNZOZIFVTPMVAS-QFIPXVFZSA-N 440.661 4.513 30 10 IJEE CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1741550868 BIBFWCOHZVDIBK-OAQYLSRUSA-N 434.632 4.954 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2CC(F)(F)C2)cc1OC 1745802842 CPAOVRLARAHYKJ-OAHLLOKOSA-N 433.503 4.526 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 1748716308 XTOHQMIEVBPPEB-WOJBJXKFSA-N 443.636 4.678 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(C)C)C1 1749024664 YDSAMCUPFVPGGA-GOSISDBHSA-N 434.556 4.785 30 10 IJEE C=C(C)COCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(F)(F)F)CC1 1749219501 JUXQULRGTKUXJV-UHFFFAOYSA-N 445.489 4.865 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1749287789 AWZVTDJSSCWKOG-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1749288470 YIFGKXLUYMBOCC-DYESRHJHSA-N 448.409 4.550 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnn(CC)c1 1749390213 AOMBGZCPIGEDEE-UHFFFAOYSA-N 443.393 4.917 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cc(OC)ccc1OC 1749474180 YGYWYQRQACYTHJ-UHFFFAOYSA-N 438.597 4.963 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)c1nccs1)C1CC1 1749508458 RKYBVWHUKKOHMS-HOTGVXAUSA-N 427.549 4.972 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H](C)CC[C@H]1C 1760157889 GOQSKBBFTGXBSK-DLBZAZTESA-N 431.378 4.658 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1nc(C)c(C)s1 1760172915 DAHZNGPFFQWEQA-AWEZNQCLSA-N 425.627 4.517 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CC1CCC(C(F)(F)F)CC1 1760239526 LHWUPUHDGDNGPR-UHFFFAOYSA-N 434.506 4.994 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1ccc(CC)s1 1760243801 FRXQHQMZPICHNH-UHFFFAOYSA-N 445.592 4.560 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C2CCC1(C)CC2 1760273710 CKXWHFLJWCJPKF-UHFFFAOYSA-N 431.403 4.595 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1760314071 ISNNLEVJEWDBBZ-ZIAGYGMSSA-N 440.411 4.563 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCCN2CCC(C)CC2)CC1 1760404814 MHNFAALJZCJLDQ-UHFFFAOYSA-N 427.662 4.845 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1760405018 PTEVFEDIXGXNPM-JOCHJYFZSA-N 435.660 4.976 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCCCC2)CC1 1760423337 WMQPLNIZUFFQOL-UHFFFAOYSA-N 438.576 4.664 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1 1760439053 VCXHIVYFNVLHJO-OAQYLSRUSA-N 439.604 4.995 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C1CCCCC1)N(C)C)C1CC1 1760475010 QFJMIGJGBAUHCR-QHCPKHFHSA-N 425.596 4.673 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2c(C)cccc2C1)C(C)C 1760489317 FWBGAQUOYLQTKJ-LOSJGSFVSA-N 449.643 4.699 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCO[C@@H](C)C1 1760491280 AABUTKAOSRBKKX-HOTGVXAUSA-N 449.368 4.840 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760562021 UUSGGPKKVRNKDG-HDICACEKSA-N 430.618 4.752 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)s1 1761772635 AYGOVGUSFYCLMZ-MOPGFXCFSA-N 448.640 4.944 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21)N(C)C 1762158069 FUXQCCDQKLXZJF-XWGVYQGASA-N 434.632 4.952 30 10 IJEE Cc1nc(SCC(=O)Nc2cccc(C#N)c2)nc(O)c1Cc1ccc(C(C)C)cc1 1858518218 JUPHNAVRRGWINZ-UHFFFAOYSA-N 432.549 4.807 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1c(F)cccc1Cl 1862434880 JCBDXFQJYNEFEH-GOSISDBHSA-N 438.282 4.747 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(OC)c1 1862435322 SWOHUVBAEHPKML-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862474311 MUSPQOSKESLYEZ-XMMPIXPASA-N 443.499 4.530 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccccc1Cl 1862491195 NLQKQJRVKGKMQT-OAQYLSRUSA-N 427.928 4.962 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCc2ccccc2)cc1 1862554601 GQLASAUVPBWHIP-XMMPIXPASA-N 426.516 4.788 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 1862555839 JIOYHHUZHQMTAO-XMMPIXPASA-N 442.515 4.576 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(OC)c1 1862638353 ZLOCSXQHXLDXER-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCO)cc1 1862670340 QZFGAPNNJGUPLN-HSZRJFAPSA-N 437.536 4.560 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc2c(c1)OCCO2 1862719783 OVLLVDDOSYTVRJ-FYSMJZIKSA-N 443.499 4.988 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862736309 XSPURKYUQSEEQN-QHCPKHFHSA-N 442.471 4.936 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(CC)c([N+](=O)[O-])c2)=C(c2cc(Cl)ccc2Cl)C1=O 1863391248 BPGKUGQVAAWIFE-UHFFFAOYSA-N 446.290 4.842 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)c2ccc(CC)cc2)=C(c2ccc(Br)cc2)C1=O 1863559992 HXQVSOBUDUVFTA-HNNXBMFYSA-N 439.353 4.628 30 10 IJEE C=CCNC1=C(c2cc(OC)ccc2OC)C(=O)N(CCCCCCCCCC)C1=O 1863717569 RQJBIAYMQXFSOS-UHFFFAOYSA-N 428.573 4.700 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc[nH]1 1864920757 VIBWGQCJDDKYHE-HXUWFJFHSA-N 447.583 4.587 30 10 IJEE CC[C@@](C)(NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 1867049339 YRYDXKKMYUFOQA-XMMPIXPASA-N 432.549 4.538 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)nc(-c2ccccc2)n1 1869209616 WNSMBMNKRQGBFQ-XMMPIXPASA-N 443.570 4.954 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)CCc1ccc(Cl)cc1 1870110808 JHAILZYIWAQPMX-UHFFFAOYSA-N 434.714 4.730 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1-c1ccc(Cl)c(C)c1 1870154323 RJXUAVZVGKNRKJ-UHFFFAOYSA-N 436.686 4.669 30 10 IJEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870809936 CSFGQOQWBWHVBH-UHFFFAOYSA-N 437.927 4.685 30 10 IJEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(N(CC)CC)cc1 1871045839 AVSCIXAZKWHSTR-UHFFFAOYSA-N 447.579 4.950 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871389239 LZNPUHNMJIJDOH-XKZIYDEJSA-N 432.403 4.977 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(F)c(F)c3)ccc2C1=O 1871440971 QGLFDECDKBRRFL-YVNNLAQVSA-N 437.398 4.607 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 1871861145 CFJOPZKGBVWABT-OAQYLSRUSA-N 436.524 4.729 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872474584 MKPQOPPFUXLYGY-JOCHJYFZSA-N 432.561 4.618 30 10 IJEE Cc1cc(OCC(=O)[C@H](C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1Cl 1872759961 DNVRPBBRMOSPER-INIZCTEOSA-N 427.869 4.935 30 10 IJEE N#C[C@H](C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCCO3)cs1 1872773528 PWTVPAQZMSBLCQ-CQSZACIVSA-N 441.852 4.633 30 10 IJEE CCCOC(=O)c1ccc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)cc2)cc1 1872869518 GBPAOWIDEPBZQC-UHFFFAOYSA-N 428.488 4.634 30 10 IJEE CN(C)c1ccc(/C=N/Nc2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)cc1 1873528736 FZOLEDFENOHTQF-AUEPDCJTSA-N 436.730 4.705 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(OC)c(O)c1 1874230536 OHWHYDLQEMTYOZ-SSDVNMTOSA-N 432.933 4.527 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1/N=C/c1cccn1C 1874289334 ZFDYRHYOJAKDNP-MFKUBSTISA-N 447.564 4.687 30 10 IJEE CCOc1ccc(/C=N/n2c(CCCOc3ccccc3)nnc2SCC)cc1OC 1874316845 NCPDEBWOXPHWHH-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2/N=C/c2ccco2)cc1 1874388258 CVGROQHCQVSFRN-AFUMVMLFSA-N 449.511 4.522 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@@H](C)c3ccccc3)n2/N=C/c2ccc[nH]2)cc1 1874394780 VMWAFDBHUZQARG-CMPFEXHJSA-N 444.564 4.679 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 1874426058 ORQLJPVBNZHWBZ-PCLIKHOPSA-N 427.533 4.867 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)c1O 1874445168 ABZXCDBYAZCDNJ-FINLKQIMSA-N 438.553 4.635 30 10 IJEE COCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 1874470311 YHAPWTWKBPCKEG-WSDLNYQXSA-N 449.349 4.543 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3nccs3)nnc2C(C)C)cc1 1874512876 UVQQZDPLFNHBFH-SSDVNMTOSA-N 428.587 4.594 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C(C)C)cc1 1874516845 FUHJUFRZYBMEKE-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE CCN(CC)C(=O)COc1c(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)cc1OC 1874576588 UUXQEQJQQKUVJM-RMKNXTFCSA-N 437.870 4.770 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC(=O)C3CC3)c(OC)cc2Br)cc1 1874696501 DQQAJQGYNCJNDF-JXMROGBWSA-N 431.282 4.678 30 10 IJEE C[C@H](C#N)c1cccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 1892040933 MRNMDODWEHVCFO-GOSISDBHSA-N 445.544 4.707 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(OC)c(Br)c1 1922114621 ZWLHITCXLQWSRO-FGZHOGPDSA-N 434.374 4.632 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924833471 VGNLMBRSQJQJLW-MHECFPHRSA-N 431.577 4.614 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC[C@@H]21 1940541109 IVDKTOJJRDRUKB-QEEYODRMSA-N 447.498 4.858 30 10 IJEE Cc1cc(F)c(Br)cc1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1965478550 ANDRMQFVIQHRSX-CYBMUJFWSA-N 426.135 4.595 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 1983858717 XXJGLISYQLTQIR-HYFFOGBASA-N 433.574 4.777 30 10 IJEE C=CCN(C[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC)C(=O)OC(C)(C)C 2048643362 QZAFUYBMVSZTHJ-OAHLLOKOSA-N 431.802 4.965 30 10 IJEE CCc1nn([C@@H](c2ccc(OC)cc2F)C(C)(C)C)c(I)c1C#N 2080023205 VENBIYMTRYDFSD-INIZCTEOSA-N 441.288 4.705 30 10 IJEE O=C(O)c1cnc2c(-c3ccc(C(F)(F)F)c(F)c3)c(C(F)(F)F)nn2c1Cl 2081143886 SHKZVLFIQBKZCY-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(Nc3ncc(Br)cc3C#N)CCCCC[C@H]12 2162340557 BLOXBFXFFSAHLC-JXFKEZNVSA-N 435.366 4.840 30 10 IJEE Cc1c(Cl)cc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)cc1Br 2167377108 MWSAKBQPOLVJAB-YWVIFJGQSA-N 440.574 4.575 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](Nc2cc(Br)c(C#N)cc2F)C12CCC2 2175030874 BLZZHXJVPOMOMC-SUMWQHHRSA-N 438.341 4.955 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCC(CCC#N)CC2)c1 2181046719 MHIZHDXMCNXMQK-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c(F)c1 2231057243 JADROXDFZVSWJB-UHFFFAOYSA-N 448.344 4.871 30 10 IJEE N#Cc1ccc(Nc2ccc(Br)cc2I)c(F)c1F 2231654542 DJXXSSIAXHAYED-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2235735898 VNPVDEVENSQRJR-RTBURBONSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@]1(C)CCN1C(=O)OC(C)(C)C 2237729528 LNKAACMBSNWIHZ-GCJKJVERSA-N 435.406 4.958 30 10 IJEE Cc1cnc(N(C)[C@H](C)c2cc(Br)cs2)c(B2OC(C)(C)C(C)(C)O2)c1 2241060425 XSPRMDBKFYVXMS-CYBMUJFWSA-N 437.212 4.711 30 10 IJEE COc1cc(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)ccc1NC(=O)OC(C)(C)C 2255654602 ZMWYFNLYDINFFI-UHFFFAOYSA-N 432.326 4.607 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1 2255859820 VNPGXXBPLGXTJS-JCGIZDLHSA-N 430.354 4.693 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccccc2Br)C[C@H]2CCCC[C@H]21 2288414130 PYQMBHDHRQUZMQ-DRSNIGMVSA-N 432.358 4.843 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)CC1(CNC(=O)OC(C)(C)C)CCCC1 2296218626 GDGXBIYKNZOKSO-IBGZPJMESA-N 435.406 4.864 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2296288163 CSFNXYOADRLABQ-ICSRJNTNSA-N 437.422 4.966 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1CC 2296307646 XEWNSPMKGJUGON-KPLVRAHFSA-N 435.406 4.862 30 10 IJEE C=CCN(Cc1ccccc1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CCCC2 2306618716 VZGGHRXTFBEHHX-VWLOTQADSA-N 428.573 4.842 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H]1C[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2313032082 YJZPGACXPLVNEE-DOWNOZBLSA-N 448.568 4.900 30 10 IJEE C[C@@H]1C[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317358195 JBYKBPOUIWCYIX-KBXJCHCYSA-N 430.354 4.503 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 2321511731 OVURCWIHYVZJLL-WOJBJXKFSA-N 445.560 4.655 30 10 IJEE Cc1cc(OCCC(=O)Nc2ccccc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2325480200 NYSJOANBXDNHMV-UHFFFAOYSA-N 444.443 4.927 30 10 IJEE CCCc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2325565365 IZNPOKMQWDGTNA-UHFFFAOYSA-N 431.905 4.672 30 10 IJEE COc1ccc(C(=O)Oc2cccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1OC 2325684142 QBMWODNZHISRDP-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2325704645 HGOJKJSMIRAUMC-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE CCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccs2)C3=O)cc1 2325709659 OQYAGKDIGUNBHF-UHFFFAOYSA-N 449.484 4.559 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccc4C)ccc3C2=O)c1OC 2325713676 CYDCMQYYUIFZOM-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2325941763 GWENQLPRUOLPRT-UHFFFAOYSA-N 446.330 4.534 30 10 IJEE Cc1ccccc1C=Nn1c(CCCOc2ccccc2Cl)nnc1SCCCO 2326091506 BADBCZUZKADVOR-UHFFFAOYSA-N 444.988 4.608 30 10 IJEE O=c1[nH]c2ccccc2[nH]c1=NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2328794431 AUWXNJVEBVFOJS-UHFFFAOYSA-N 439.302 4.677 30 10 IJEE CCCSc1nnc([C@H](C)c2ccccc2)n1N=Cc1cc(OC)c(OC)cc1OC 2330121848 SFGPDBPXWVUZEZ-MRXNPFEDSA-N 440.569 4.840 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(C)cc1 2330288150 NANYYYRHWZXPOU-RUZDIDTESA-N 436.596 4.918 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330379346 KWDHFDKATGOISS-UHFFFAOYSA-N 434.974 4.848 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1N=Cc1cccs1 2330824127 MXWSUBVPPDOQHG-UHFFFAOYSA-N 427.599 4.850 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C(F)(F)F)c1 2331118914 JJWSMCVOXGFZEE-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1cc(Br)nn1C(C)C)C(=O)OC(C)(C)C 2363130031 PMWMBLBLTUYCNB-MRXNPFEDSA-N 441.414 4.528 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)c1 2423217 RAJVSJNLLWXBMG-QFIPXVFZSA-N 431.419 4.835 30 10 IJEE Cc1ccc(N2C(=O)[C@@](Nc3nccs3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 2423872 FUJFKVKZTFRRBI-HXUWFJFHSA-N 435.471 4.855 30 10 IJEE Cc1cc(C)c(C)c(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c1 12240903 BBQBWXMNVINEBO-UHFFFAOYSA-N 439.519 4.852 30 10 IJEE C=CCNC(=O)c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21 14461025 GDLOSKPMDZBLHF-IUSZMWJPSA-N 425.326 4.897 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2 14548033 XQCDRKNRIQHGBG-ZYLNGJIFSA-N 432.545 4.836 30 10 IJEE CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)cc1 20595543 XNCQHHNTLMKXOC-ZPKJPUMHSA-N 425.554 4.682 30 10 IJEE CCCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCC)c(OC)c2)cc1 21246001 HGJBMPNZNVYZJV-PZJWPPBQSA-N 449.547 4.887 30 10 IJEE COc1cc(OC)c([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3onc(C)c32)cc1OC 21660400 SVGYHWGMEHXASE-FYSMJZIKSA-N 446.503 4.967 30 10 IJEE Cc1nnc(Oc2ccc(N(C)S(=O)(=O)c3ccc4ccccc4c3)cc2)c(C#N)c1C 32769765 BHHLZQPVGIYFGR-UHFFFAOYSA-N 444.516 4.736 30 10 IJEE COc1ccccc1N1CCN(/C(=N/C(=O)c2ccc(F)cc2)Nc2cccc(C)c2)CC1 32946276 SJRYRKYGAOWQLH-UHFFFAOYSA-N 446.526 4.573 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2Cl)S/C(=C/c2ccc(OC)cc2O)C1=O 36258327 ZIJFFSIBSZQRPZ-LICLKQGHSA-N 431.897 4.598 30 10 IJEE COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1C 58945809 GYBKZXFNXADZJW-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE COC(=O)c1ccc(COc2ccccc2/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1 97993128 QMJUCVJDGXZUSH-BENRWUELSA-N 430.456 4.720 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1c[nH]c2ccccc12)c1ccc(Cl)cc1 170077129 QRNDYKZDEHVLGF-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170104019 IOQNOBHEGCPZBZ-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2sccc2C)cc1C 170107799 HHLZHBFTBOPFNY-HXUWFJFHSA-N 443.565 4.767 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 170117079 BGGXWOIDLCGXNO-NRFANRHFSA-N 441.911 4.878 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccc(C)c2)c1 170139882 GODDXVKYIVFZKB-OAQYLSRUSA-N 443.927 4.660 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2cccc(F)c2)c1 170140330 KMQNLFWSDCLGBW-QHCPKHFHSA-N 429.447 4.852 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(OCC)cc1 170214135 BEPFCVBFVLZFCQ-NRFANRHFSA-N 435.476 4.828 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCC2)cc1 170214886 GPVFVKRRSZKCJI-LJQANCHMSA-N 426.538 4.680 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c[nH]c2ccccc12 170256053 AQQKXWFFTVTZIQ-NRFANRHFSA-N 433.464 4.845 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccco1 170284303 POVXNFRCNOJOHN-LJQANCHMSA-N 438.823 4.933 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccco2)cc1 170284549 KHEVGUWRZSPABP-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)cc1 170291238 UZJKEOKPCPTRHP-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCCC)c1 170324115 NQWIEFMQNLLCOC-NRFANRHFSA-N 436.464 4.538 30 10 IJEE Cc1cc2onc(CC(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c2cc1C 170509501 BBKDJRQXNDIUIS-UHFFFAOYSA-N 436.475 4.540 30 10 IJEE COC(=O)c1ccc(N=C2S/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)N2C)cc1 252593529 BKQJLAWKMNQSHT-TVWUMHKZSA-N 446.532 4.510 30 10 IJEE N#Cc1cc(Nc2ccc(I)cc2Br)ccc1[N+](=O)[O-] 312378460 JIWJZUJTOUBSMQ-UHFFFAOYSA-N 444.026 4.577 30 10 IJEE CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 382635387 BFTSGWVSTAYIBU-QGZVFWFLSA-N 430.398 4.619 30 10 IJEE CC1(C)OB(c2ccsc2CNC(=O)c2cccc(OCc3ccccc3)c2)OC1(C)C 404956830 YLPFIURRELRAAY-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE COc1ccc2nc(C3CC3)cc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)c2c1 438617662 HOEMMSUPEACHMX-UHFFFAOYSA-N 442.519 4.507 30 10 IJEE C=CCn1c(Sc2cc(CC)nc(-c3ccccn3)n2)nnc1-c1ccc(OC)cc1 517578894 BTHMQNJMQSBMGG-UHFFFAOYSA-N 430.537 4.705 30 10 IJEE COc1cc([N+](=O)[O-])cc(/C=N\n2c(C)nnc2SCc2cccc3ccccc23)c1O 526821461 UEPLMRGFSISLSR-FMCGGJTJSA-N 449.492 4.537 30 10 IJEE C[C@@H]1C(=O)N(c2cccc(COc3ccc(CC#N)cc3)c2)C(=O)N1Cc1ccccc1 553097984 GYLIHJOEHXMFNT-LJQANCHMSA-N 425.488 4.689 30 10 IJEE C=C(C)CN(CCc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cccc(Cl)c1 586166839 NSQZVIWLDJNOTH-UHFFFAOYSA-N 437.989 4.947 30 10 IJEE C=CCN(C1CCN(C(=O)OCC)CC1)S(=O)(=O)c1ccc(CCCCCC)cc1 586180562 GEWIFAPPTWJEMO-UHFFFAOYSA-N 436.618 4.607 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2cccc(Cl)c2)cc1OC 586221598 PJALUUUAMDYJHW-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C#CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1OC 586257345 GFGKSKDYRNWSNL-UHFFFAOYSA-N 441.936 4.756 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 735343513 IOZVARXKKPDQLD-OAHLLOKOSA-N 441.940 4.812 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)N(C2CC2)C(=S)N[C@H]1c1scnc1C 743740944 CFIQPIPHQFBUNR-MRXNPFEDSA-N 448.411 4.608 30 10 IJEE COc1ccc(CNC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1C#N 746873341 WHSGFYDHIXTMFJ-UHFFFAOYSA-N 443.507 4.699 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(Cl)nc2)[n+]2cc(O)cc(Cl)c2)cc1 762437865 FFMHFCVNVVALOU-UHFFFAOYSA-O 444.323 4.576 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@H](C(=O)OC)c3ccccc32)c1=S 766365202 PNOHTHKFMMNJIZ-IBGZPJMESA-N 438.528 4.531 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)c2)s1 771326843 FQBWWTYUEXQHSR-UHFFFAOYSA-N 449.551 4.705 30 10 IJEE C=CC[C@@]1(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)CCCN1C(=O)OC(C)(C)C 791808554 FTAUHNQBXUHZRL-DEOSSOPVSA-N 440.496 4.783 30 10 IJEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 809908563 WOVOGGXBCYOMSO-QGZVFWFLSA-N 435.503 4.733 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)c1 1084025818 PRHJMHBISDEJPV-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1OC 1124269787 UMTCOCULLHNUFN-DJGBTNNQSA-N 440.609 4.924 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(C#N)cc1F)c1ccc2c(c1)OCCO2 1124367279 CEDDJPFMPPFNED-UHFFFAOYSA-N 444.462 4.880 30 10 IJEE C=CCn1c(SCC(=O)Oc2ccc(OC)c(F)c2)nnc1-c1ccc(Cl)cc1 1125557467 OMRWCZCCXJBYOD-UHFFFAOYSA-N 433.892 4.630 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC)cc1)c1ccc(C(F)(F)F)cc1 1127410727 LMQGYTPUNVQGIJ-LJQANCHMSA-N 425.472 4.936 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1128748652 CIVFACBCCYXDJL-UHFFFAOYSA-N 447.332 4.977 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1(c2ccc(Br)cc2)CCOCC1 1129783444 AWCWNUCMYLAXLS-NRFANRHFSA-N 428.370 4.801 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2ccc(Br)cc2)no1 1136340983 KZKODZQUTOGKAV-UHFFFAOYSA-N 427.298 4.941 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H](CN3CCCC[C@H]3C)C2)s1 1146932334 ALEKHLWVJGMSOD-SJLPKXTDSA-N 442.094 4.952 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 1148035183 UTBXKVVKJVKYCF-HNNXBMFYSA-N 425.316 4.705 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)cc1F 1170229286 VVDCCHBMGLSDNK-KRWDZBQOSA-N 443.357 4.796 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 1215512367 HRSDNTJTWYQALG-UHFFFAOYSA-N 429.495 4.722 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(C(=O)OCC)cc1 1219084177 GYVXGOUIGCVKAO-UHFFFAOYSA-N 433.302 4.512 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(OC)ccc2NC(=O)OC(C)(C)C)c(OC)c1 1264642073 CWFGUIVAPSYCMB-UHFFFAOYSA-N 442.512 4.797 30 10 IJEE CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1265482075 GCOAYKGOJJPZGM-IBGZPJMESA-N 437.565 4.791 30 10 IJEE C#C[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccc(F)cc1 1275425658 KWMYDZARZDWWLF-HXUWFJFHSA-N 430.310 4.968 30 10 IJEE CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 1280366153 HIZLGGZJCFVDKA-UHFFFAOYSA-N 436.552 4.967 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccnc(OC2CCCCC2)c1 1286303053 IBPURUSTGIFFFR-GOSISDBHSA-N 435.597 4.543 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)Oc1ccccc1F 1286305506 NLGBDHCKMKQOOM-PSHVLCQKSA-N 442.579 4.651 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@](C)(OC)CC1 1286317416 FRNYIEXMDBIEMT-QFIPXVFZSA-N 445.405 4.907 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286318073 RIYUIJWEQITMAY-HXUWFJFHSA-N 426.008 4.714 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1286337066 VQJVDFMZMYGZEY-RTBURBONSA-N 443.389 4.658 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1nccs1 1286565278 COUJYRPSVYJFEK-UHFFFAOYSA-N 438.420 4.871 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1OCCC1(C)C 1286681639 QEQABTOIINBRHG-JOCHJYFZSA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286696259 YUBVYYXMLMNUME-LEWJYISDSA-N 440.588 4.712 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1C)C(C)C 1286752090 WUTOSQIPKQAFEB-ICSRJNTNSA-N 429.012 4.681 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1286828598 ONFPAQNYKPFDFS-IRXDYDNUSA-N 427.643 4.686 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)C(C)C 1292958586 XEYCQKQREGUNRW-JOCHJYFZSA-N 444.982 4.582 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C1CC1 1295588474 GUHNXTUQBVERIK-QFIPXVFZSA-N 441.988 4.719 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@H](c1ccsc1)N(C)C 1300325104 SOYYWDHSZWJMRR-WIYYLYMNSA-N 439.654 4.701 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1300391843 GPQNPGNHRDZJAF-SFHVURJKSA-N 438.963 4.902 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1CCc1cc(C(F)(F)F)ccn1 1300602891 VFUSAQFSZYCWAW-OAQYLSRUSA-N 441.501 4.936 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccc(C)s1 1300765788 LAPFHMHGOWOZPP-UHFFFAOYSA-N 432.565 4.520 30 10 IJEE C=C(Br)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1300831409 YCLAEFQYOIUPQI-KFNAQCHYSA-N 443.748 4.774 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(C)nc1 1300905935 GZKZDGBIVGLKLR-UHFFFAOYSA-N 435.572 4.895 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccc(OC)c(C)c1 1300930993 STGIKJMPAKENRY-UHFFFAOYSA-N 444.377 4.576 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](CN(CC)CC)C1 1301018450 CSWDURPXBFAVQH-LJQANCHMSA-N 439.007 4.722 30 10 IJEE C=C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(F)(F)Br)CC1 1301065611 HRDPDFAXZJBVMD-UHFFFAOYSA-N 437.332 4.892 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCC(C)(C)C2)CC1 1301091627 LOPDGSXRNWLCTR-UHFFFAOYSA-N 437.632 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1301139052 KUAVOUDADXPKDL-VXKWHMMOSA-N 440.588 4.712 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 1301139928 XQEYNCNBTFHXKI-UUOWRZLLSA-N 428.552 4.776 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1301155777 VCRKROXBDCJONX-GOSISDBHSA-N 445.633 4.636 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@](C)(O)C1CCCCC1 1301281403 MLXZJQUIWFRXLD-VWLOTQADSA-N 442.604 4.694 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCN1CCCC(C)(C)C1 1301367930 WAXVVEANAYKPMR-HXUWFJFHSA-N 429.634 4.506 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@](C)(O)c1cccs1 1301379157 CDHMFCIDMGGBDW-QFIPXVFZSA-N 444.988 4.755 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCCCO)C1 1301543880 QHLZRZCQAFRMKE-MRXNPFEDSA-N 447.004 4.757 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)c1ccccn1 1301951549 BACPSMGEIXAMNH-MSOLQXFVSA-N 436.535 4.526 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(c2ccccc2)CCOCC1 1302151003 FRBLRPPRUZVGOM-VWLOTQADSA-N 435.616 4.745 30 10 IJEE CSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)c1ncc(C)s1 1302718785 AUYKVPMWFALOQQ-HZPDHXFCSA-N 440.642 4.963 30 10 IJEE N#Cc1cccc(-c2nnc(N3CCCCCC3)n2CCc2nc(C(F)(F)F)cs2)c1 1302986097 DORKLZGYUQNKPO-UHFFFAOYSA-N 446.502 4.915 30 10 IJEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H](C)c2nccs2)s1 1304349048 DIMUOSAXTIZRIT-OAHLLOKOSA-N 434.594 4.931 30 10 IJEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CCSC)cs1 1306017976 GXAKSYCJIXXSTB-MRXNPFEDSA-N 440.642 4.656 30 10 IJEE C=CCn1c(SCc2cc(OC)no2)nc2scc(-c3ccc(C)cc3)c2c1=O 1307237171 TYGZLAXVSXVIRG-UHFFFAOYSA-N 425.535 4.908 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Br)cc1OC)c1ccc(Br)cc1 1311050231 OCGRZHGNQIJPDV-CQSZACIVSA-N 438.119 4.716 30 10 IJEE C=CCSCCNC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 1312484169 RLLBSXXCOBCUJL-UHFFFAOYSA-N 436.046 4.815 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)c1ccccn1)c1ccc(Br)cc1 1312936895 MPVNZXDAQOTEGZ-IRLDBZIGSA-N 434.337 4.802 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccc(Cl)cc1 1312937541 NSZNTWCRGBUQBS-OALUTQOASA-N 433.733 4.560 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2cc(C)ccc2C)c(C(=O)OCC)c1C 1349733324 FHBYFVFLJVGBLV-UHFFFAOYSA-N 447.578 4.924 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2cccc(Br)c2)no1 1351789650 UDTZYCMVEIFDPV-UHFFFAOYSA-N 447.292 4.853 30 10 IJEE CC(=O)c1sc(NC(=O)c2cccc(C#N)c2Br)nc1-c1ccccc1 1352127644 LHCNHNFOAHPFDK-UHFFFAOYSA-N 426.295 4.899 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3ccc(F)cc3)c3ccccc3Cl)cc2C1=O 1354472271 NZJQNJNVTMMQJN-JOCHJYFZSA-N 448.881 4.781 30 10 IJEE C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1354735596 CJJJGAVOMPKYRT-PBHICJAKSA-N 442.346 4.970 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1357663039 LCOCCIFKJHHEMR-JOCHJYFZSA-N 445.951 4.718 30 10 IJEE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H](CC#N)c2ccccc2)cc1 1358186000 HKEYEAXCSLOGSW-JOCHJYFZSA-N 433.533 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)c1ccsc1 1358878150 RQWFIHAVHSPULU-KXNSMUHISA-N 440.638 4.559 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC(F)(F)C1 1358906574 MHYDFXXTHAUPSZ-UHFFFAOYSA-N 437.332 4.993 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1=CCCCC1 1358988624 XHUDUKWLXYCXCN-UHFFFAOYSA-N 437.385 4.979 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cc(Cl)ccn1 1359049889 YDQIKCHIJTWSRK-OAQYLSRUSA-N 440.016 4.871 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1359050983 IXDBEQOVAHKFQP-UYAOXDASSA-N 438.597 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@@H]1OC 1359065500 RYAZXXHFMWDSHF-ZWCUEREDSA-N 443.389 4.515 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(F)(F)F)c1 1359071758 BLSAMIKHORMZHP-OAQYLSRUSA-N 445.514 4.693 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1csc(C)c1 1359074324 YWVRKLMQECGWQA-JOCHJYFZSA-N 426.973 4.921 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1359090397 ARDUSXHWZYQNHV-KHOWPEFISA-N 442.579 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1oc(CC)nc1C 1359116408 JTXJHWQIEHBEOG-UHFFFAOYSA-N 429.952 4.820 30 10 IJEE C=C1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCOCC(F)F)CC1 1359160425 USLSKHYLRPPOBM-UHFFFAOYSA-N 445.539 4.815 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359184165 FHRRLXZPZUSUTI-QAPCUYQASA-N 448.409 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359185725 GZIDRDPWHKAALE-NRFANRHFSA-N 437.632 4.844 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359200351 BNZCBADZUVVDCH-LJQANCHMSA-N 427.549 4.783 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(OC(F)F)c1 1359244724 OHIBCQKJPZIACO-UHFFFAOYSA-N 431.512 4.546 30 10 IJEE C=CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1359252824 HUABVGNUHIBJJC-LVXARBLLSA-N 437.632 4.831 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1CCN1CCC[C@H](C)C1 1359255380 WIKXAVTZQSWOAR-NRFANRHFSA-N 437.632 4.869 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1359262643 AAFUJTAFBMSFJT-SSEXGKCCSA-N 440.638 4.727 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC=C(C)CC1)C(C)C 1359265078 XQSGQOCSCACIBK-QFIPXVFZSA-N 449.599 4.529 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)C(F)(F)F)cc1 1436239598 QIFDRZRHIRKXFK-PZJWPPBQSA-N 439.437 4.644 30 10 IJEE C#C[C@H](NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)c1ccc(Br)cc1 1436651924 UZEIIPGSNLYOOT-LRDDRELGSA-N 426.232 4.726 30 10 IJEE C=CCC1(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)CCCC1 1444646837 HIKBVGWLJAYNAN-UHFFFAOYSA-N 435.406 4.545 30 10 IJEE COc1cccc([C@@H]2CN(C(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)CCN2)c1 1454465481 FASDYOMTAYPHGV-QHCPKHFHSA-N 447.922 4.799 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@H](CF)C2)nnc1-c1ccc(Cl)cc1Cl 1455230115 XTSFSMLTXIGPIR-CYBMUJFWSA-N 443.375 4.738 30 10 IJEE Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)CCOc2ccc(Cl)cc2)n1 1458892269 FIHPEVABBHYDMG-UHFFFAOYSA-N 443.878 4.563 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1 1461530979 QSJPIYGEWBAHBP-HNAYVOBHSA-N 449.473 4.933 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccccc1 1463269566 GZJMGSPCSMFWAW-DCFHFQCYSA-N 447.398 4.826 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)c1ccccc1 1464379627 KEDJNSNNJJIFLV-SFHVURJKSA-N 437.945 4.511 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c1 1467816638 RPEOLMNGMSLJPP-UHFFFAOYSA-N 430.938 4.513 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 1468253033 RDLOIERNLYHXJV-UHFFFAOYSA-N 431.536 4.887 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 1470075033 RRUBPUGUNQPNEM-HNAYVOBHSA-N 437.540 4.678 30 10 IJEE C=CCn1c(S[C@@H]2CCN(OC)C2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1472915976 BMNNFJFCVBKFNR-DOTOQJQBSA-N 446.642 4.598 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC[C@@H]2C)cc1OC 1501223486 ICCUFOURKSUSRS-NLWGTHIKSA-N 425.577 4.917 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccsc1)N(CC)CC 1507535294 DTGNYKPMBMQPOL-AVRDEDQJSA-N 439.604 4.611 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1507814059 BKKVDJDKNCLDGX-DFBJGRDBSA-N 439.604 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnn(CC)c1 1507920536 WEPCZUBPKAAMOW-UHFFFAOYSA-N 431.588 4.736 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](CC)C1 1507930306 AHUAWTIBFRSASA-IBGZPJMESA-N 434.588 4.829 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC(F)(F)Br 1508004578 NCQVLRWNBIBENL-INIZCTEOSA-N 441.320 4.700 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@H]1C(=C)C 1508011577 HVCQHOWWTSFOSP-YJBOKZPZSA-N 449.418 4.929 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(OC(C)(C)C)CC2)cc1 1508101016 SJBVVTXWKSGWHG-UHFFFAOYSA-N 435.572 4.670 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)CCC(C)C 1514000917 IEERQCHLZJPSPA-SWHJIRTISA-N 439.604 4.541 30 10 IJEE Cn1ncc(Br)c1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 1517481412 DTZHRNSZMGRIGF-UHFFFAOYSA-N 431.677 4.752 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1OC 1520348920 HLNVODVLIBYHDM-RMKNXTFCSA-N 434.883 4.623 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(I)c(Cl)c2)cc1 1521898337 NBPOFIXPKPPJSY-UHFFFAOYSA-N 428.653 4.866 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1524759809 NFTNWSVMKJVIJN-GFCCVEGCSA-N 441.391 4.942 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@H]2COC(=O)NC(C)C)cc1 1525349875 AUTHFTSJKOGNQL-NRFANRHFSA-N 435.524 4.788 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1)c1ccc(C(F)(F)F)cc1 1526560047 FLOXNHAZTHPMLF-UYAOXDASSA-N 439.522 4.907 30 10 IJEE C#CCN(C(=O)c1cc(C)nn1C(CC)CC)[C@@H]1CCOc2ccc(Br)cc21 1529627800 YFLLOLXXNGTBGE-LJQANCHMSA-N 444.373 4.914 30 10 IJEE COC(=O)[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1cc(C)cc(C)c1 1538040022 BEWLPXDHBWWVNB-HSZRJFAPSA-N 432.451 4.751 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1C[C@@H](C)O[C@H](C)C1 1539030794 UCYDISRHJWDVDL-PWRODBHTSA-N 438.616 4.950 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCc2ccc(Br)cc2C1 1539102662 HLUBLQMMXOFBRI-UHFFFAOYSA-N 425.330 4.585 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCOCC1 1539343559 MFXWAUOZHNAUPG-GOSISDBHSA-N 430.980 4.574 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1539636541 LFIJGIXUYHKGOD-MZKRTTBSSA-N 426.580 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC1(COC)CCCC1 1539670017 WGSAKEBXMZUXPV-JOCHJYFZSA-N 440.588 4.790 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539671752 NNLITXGXHPLEMR-IBGZPJMESA-N 441.620 4.741 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H]1CCSC1 1539691189 NRPJNVYPFIXBHP-CYBMUJFWSA-N 427.799 4.879 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CC2(N(C)C)CCCCC2)CC1 1539892281 XTYCCYJPCZOBHS-UHFFFAOYSA-N 425.596 4.675 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[C@@H](C)C1 1539963051 JSADVKAWNCVWFB-HSALFYBXSA-N 431.625 4.841 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1539982744 QIGOVMSILSSKSE-PMACEKPBSA-N 427.568 4.588 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1CCc1cccnc1 1540147116 NSXWSSHIYGDJMR-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1540920174 PSDZJXYKFCHREI-XMMPIXPASA-N 444.645 4.726 30 10 IJEE COc1cc(Br)c(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc1OC 1543967990 GBAVMYAPCYXPFL-UHFFFAOYSA-N 433.302 4.768 30 10 IJEE C#C[C@H](NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 1556907353 NKDTYKLQIDVNMG-GOTSBHOMSA-N 447.922 4.723 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)cc1F 1561556541 VPSSNDYTGPYMJH-AWEZNQCLSA-N 437.117 4.548 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc21 1563315832 PYNAMUAJUBAJRL-UHFFFAOYSA-N 435.528 4.569 30 10 IJEE C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)[C@H](C)C4)[C@@H]3C[C@@H]12 1565538059 NXYQZNKEFFIDPK-LKPHMBOPSA-N 438.612 4.520 30 10 IJEE COc1ccc([C@H](CO)CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cc1 1570199241 BMNTUPMUDREWCY-IBGZPJMESA-N 436.895 4.518 30 10 IJEE C#CCN(C(=O)c1cc2cc(OC)ccc2[nH]1)[C@@H]1CCOc2ccc(Br)cc21 1586216286 CQZFHMUAXOIXLU-HXUWFJFHSA-N 439.309 4.538 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 1587500654 CTJMVNOAISGBFK-QFIPXVFZSA-N 425.573 4.789 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@](C)(O)[C@@H](C)CC 1587568097 MRJIEVGGIJAJDF-WOGXIUBCSA-N 437.613 4.632 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1C(F)(F)C12CCC2 1587575100 QBKXDVDSORKDGR-BBRMVZONSA-N 435.316 4.601 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCSC1 1588445339 LCZHGNOZSFXDMM-FQEVSTJZSA-N 426.630 4.892 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCCC[C@@H](SC)C1 1589117232 WELTUVKFZSSWPT-HXUWFJFHSA-N 446.711 4.967 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1594241395 PCPWYGCQPZUKQF-XMMPIXPASA-N 439.623 4.921 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(C)no2)CC1)c1ccccc1 1594534542 MBOGYUGOWIDOLS-NFBKMPQASA-N 448.615 4.770 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1cscn1)c1ccccc1 1594553275 XYTOQQMYTVJJSO-OAQYLSRUSA-N 430.581 4.717 30 10 IJEE C=CCCCn1c(N(C)C[C@H]2CC=CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1594766739 BSVIGPKNZHMFHN-SLFFLAALSA-N 429.609 4.808 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@H]1CC 1595132880 ACOZJXLJVZGNJK-VQTJNVASSA-N 439.579 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCO[C@H]1C(C)C 1595184981 JJJOHVICFNYCBO-LPHOPBHVSA-N 448.409 4.665 30 10 IJEE C=CCC[C@H](C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1)c1ccccc1 1595341292 HDQLLKNMUMXTJO-AWEZNQCLSA-N 434.355 4.889 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCSC(C)(C)C1 1595866411 JTSRJJJNCCBDFU-UHFFFAOYSA-N 427.643 4.688 30 10 IJEE C=CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(F)(F)F)CC1 1595896034 TZZMUSISQWITGA-UHFFFAOYSA-N 449.546 4.979 30 10 IJEE C=CCSCCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1C1(c2ccccc2)CCC1 1595905110 DHWNZCFWWIONMU-LEWJYISDSA-N 439.673 4.586 30 10 IJEE CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1602714705 HCNRMHZBRBNOAT-RZPFDVGOSA-N 434.632 4.832 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)C1 1608088490 ARXNVNXBNXPSCA-SHQCIBLASA-N 448.659 4.704 30 10 IJEE C=C(CCN(C)C)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 1611428439 DVPZPXDRQLVBKN-UHFFFAOYSA-N 446.422 4.735 30 10 IJEE C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)c1nccs1 1611510108 CHACIEKJLHQJGI-OAHLLOKOSA-N 426.977 4.989 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)SC 1613486934 HDPPCVYKXOEKEQ-KRWDZBQOSA-N 427.618 4.742 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@@H](C(=O)OC)c1cccc(C#N)c1 1616592129 CXWDNCWHGCYRFM-FCHUYYIVSA-N 445.485 4.782 30 10 IJEE CO[C@@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1618973762 FANLHLBMGFHAJL-DHLKQENFSA-N 432.572 4.603 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)Cc1cc(OC)ccc1Br)c1ccccc1 1622507289 XZDHEBDJXRLUSA-FQEVSTJZSA-N 438.387 4.975 30 10 IJEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1)[C@H]1CCCc2ccccc21 1623114471 NWRMXAMWNMBOFZ-QHCPKHFHSA-N 439.581 4.773 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@H](CCOC)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1623502821 VQTPQQHNHVSVQR-CLOONOSVSA-N 428.573 4.889 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1Br 1623874402 CYSXMZUEHQZUNC-QGZVFWFLSA-N 425.367 4.657 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)ccc1OCc1ccccc1 1626364022 AKUOYPWHRAZJOQ-UWJYYQICSA-N 430.342 4.739 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cc4c(nc3O)CCC[C@H]4O)cc2Cl)c1 1626721987 DXYBCACLTDCARX-OAQYLSRUSA-N 449.894 4.513 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)c1 1626797181 GZJUIPXAGHXNLS-GHTZIAJQSA-N 429.969 4.593 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCC3(NC(=O)OC(C)(C)C)CCCCC3)cc21 1627742869 USNALNGEEHBQCS-UHFFFAOYSA-N 427.549 4.571 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 1631195083 OVZCAYYDWHVOGS-JKSUJKDBSA-N 436.396 4.630 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c1 1631630811 BLMCLIAFIPNQER-SANMLTNESA-N 426.516 4.551 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C 1632046359 AGWQRIFIWUPTCK-PCYHDRSOSA-N 448.563 4.542 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1 1634635085 DMMCMIUAUIINER-UHFFFAOYSA-N 430.596 4.795 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(c2cccc(C)c2)c2cccc(C)c2)c1 1635244052 SBSUVGHLMCCRMH-UHFFFAOYSA-N 431.557 4.620 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CCCN1C(=O)OC(C)(C)C 1637383279 AOFVLFMBWPJRQG-HFJWLAOPSA-N 437.584 4.796 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](COC)c1ccc(Cl)cc1 1639602291 CRORKMZDBUXCCH-IAGOWNOFSA-N 431.360 4.522 30 10 IJEE C=CC1(CC(=O)Nc2cc(C(C)C)nn2Cc2ccccc2)CN(C(=O)OC(C)(C)C)C1 1640461157 KISXLXWVQZYUSS-UHFFFAOYSA-N 438.572 4.807 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(C)c(Br)c2C1 1641207261 UFZSYOSEIHYTOV-KRWDZBQOSA-N 437.378 4.849 30 10 IJEE N#Cc1nc(Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)sc1Cl 1642016079 DOLDHSBLNFBJDS-UHFFFAOYSA-N 434.953 4.525 30 10 IJEE C=C(C)CN(CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC)Cc1ccc(CO)o1 1643057072 OCQDRZRUANXZOB-UHFFFAOYSA-N 431.536 4.917 30 10 IJEE C=CCn1c(SCC(=O)NCCc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 1651551489 OTBSOKBEPODTFS-UHFFFAOYSA-N 434.609 4.880 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2Br)nnc1-c1ccco1 1651730359 RRIOMJSKTXUXDE-UHFFFAOYSA-N 434.315 4.566 30 10 IJEE C=CCn1c(SCC(=O)COc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652348959 HSBFNZXKWILNAH-HNNXBMFYSA-N 440.590 4.509 30 10 IJEE C[C@@H](NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccc(C#N)cc1 1661625687 AOUIKCCKAPSYJD-LLVKDONJSA-N 433.415 4.858 30 10 IJEE COc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)cc1 1662444329 GTULKWOVWYCHHS-OAQYLSRUSA-N 446.450 4.654 30 10 IJEE C=C(C)c1cccc(NC(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)c1 1665183386 CPKWNFPHWKBQTM-UHFFFAOYSA-N 430.593 4.564 30 10 IJEE C#CCC1(O)CCN(C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 1668778130 FMRAULSPFAUSBQ-OAQYLSRUSA-N 449.353 4.976 30 10 IJEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 1669147553 DGIRHGDSRQMQFJ-LJQANCHMSA-N 449.532 4.725 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 1670826393 DTIMUVFZVVZSOF-LJCCNALRSA-N 427.511 4.510 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1 1672708568 QFEQBRCTDAZLFW-IUODEOHRSA-N 437.256 4.635 30 10 IJEE N#CC[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1673350291 CFYYPKBMCCJFEN-HNNXBMFYSA-N 441.329 4.859 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)C(C)C 1674145639 NLDDOWIFGPYFQE-FPOVZHCZSA-N 430.662 4.610 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1)C1CCOCC1 1680762135 NBNYDCAGOAJLDO-YADHBBJMSA-N 446.469 4.531 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](c1ccco1)N1CCCC1 1689829439 YKPUFYDHNGKAQA-PMVMPFDFSA-N 431.584 4.708 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cc(C(C)(C)C)no1 1689835313 KAYDFQZPGDIJES-HZPDHXFCSA-N 437.613 4.923 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCc1nc(C)cs1 1689839734 LOKPCXWREPKPRD-OAHLLOKOSA-N 431.968 4.983 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CC[C@H]1C2 1689881316 NEEUANVUYBTIEH-RDJZCZTQSA-N 429.362 4.508 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1689915355 YRCFKHXNVWCSFG-GASCZTMLSA-N 437.332 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N(Cc1cccs1)Cc1ccccc1OC 1690239682 ZLCGQGXLBMDKRJ-OFNKIYASSA-N 438.597 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC=C(C)C1 1690241572 UITRXULIDFIGLQ-QAPCUYQASA-N 449.418 4.907 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1690309614 FMIITBNUPXJMDN-UHFFFAOYSA-N 445.489 4.896 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(Cl)ccc1OC 1690349251 RGHJECDEYNTHJK-UHFFFAOYSA-N 438.384 4.685 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1690404635 LTUJVRZUURLNFA-GOSISDBHSA-N 443.039 4.906 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1690509863 LPPRNCRXRGYZQR-OAQYLSRUSA-N 447.023 4.899 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1690632575 DAZLZADNHYPCMH-RDTXWAMCSA-N 445.386 4.922 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1CC(F)(F)C1 1705500680 RTZFCUBUDQKFFF-INIZCTEOSA-N 436.934 4.755 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1705528686 OQTPAZZDOPYPBJ-ZWKOTPCHSA-N 445.405 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1Cc1csc(CC)n1 1705677726 ZHRQLUNDSDUHIC-XMMPIXPASA-N 435.597 4.533 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCC[C@@H]1C 1705677827 DBVGMLRUMOQVMG-JJEOQYAHSA-N 445.032 4.767 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC)CCc1cccs1 1705707966 VEJUTRZXPRIVQL-NRSPTQNISA-N 430.618 4.631 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705786154 HOUNVRBEAUQVTC-DHIUTWEWSA-N 448.615 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCOC2)C1 1705788405 ZSEATJCWLBAWAP-QHCPKHFHSA-N 430.980 4.826 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1sccc1Br 1705845546 WWVGQAOPRBAEDU-UHFFFAOYSA-N 442.386 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)C(C)C 1705865130 GGXXJWMUAPTNGZ-QFIPXVFZSA-N 441.557 4.514 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1705893643 CSYMJJIHYIEELW-NSISKUIASA-N 448.970 4.753 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1706737426 FHFGFFMWTXZLAR-UZUQRXQVSA-N 437.569 4.805 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(CC(C)C)CC1 1722304128 WHKQDDIWFHSEHO-MOPGFXCFSA-N 429.609 4.634 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1722332898 FFNMHWPWKJAXOV-QHCPKHFHSA-N 436.600 4.921 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CC=CCC1 1722469723 KLAHNWZQQRNVMC-JOCHJYFZSA-N 430.383 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CCCOCC 1722469886 NJVKZFJYUXFPND-RUZDIDTESA-N 434.540 4.536 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCC1CC1 1722492843 DSHLPBPPXAHEHT-IAGOWNOFSA-N 425.415 4.732 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccsc1 1722496397 WWTNCIZCSCVCAT-QUCCMNQESA-N 439.541 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1c(CC)noc1C 1722512327 FIAYMDSXTWLFLF-UHFFFAOYSA-N 432.528 4.910 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCOC(C)(C)[C@@H]1C 1722520727 HTRGEAUWVBFFMQ-ZDUSSCGKSA-N 439.785 4.941 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC=C(COC)CC1 1722557456 ODQDKBJRTFTRHE-UHFFFAOYSA-N 425.385 4.759 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1722567329 UCOBJMGREMZRAP-HXUWFJFHSA-N 444.004 4.831 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nnc(CC)s2)CC1 1722575733 UEPHOVORTCCLST-UHFFFAOYSA-N 432.956 4.602 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722610869 FQBMZMXHQZNNPE-KRWDZBQOSA-N 426.952 4.715 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1722630073 UPVMKDLJDRVURL-QHCPKHFHSA-N 444.595 4.549 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1CC2(CCOCC2)C1 1722634531 PHBQJEAYOZPHJO-UHFFFAOYSA-N 449.368 4.676 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722667425 YNFWINODTHPMQT-JPYJTQIMSA-N 429.012 4.682 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCC(F)(F)C1 1722678681 VGESCAGZJOMSJD-LJQANCHMSA-N 429.515 4.671 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cscn1 1740582964 SUWNTLHRHXIFOT-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C1CC1)N(C)C 1740663332 GVXDKPSWPNJBAE-KRWDZBQOSA-N 428.005 4.613 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCSc2nccs2)CC1 1740841354 WGSDEXFSTDKOFD-UHFFFAOYSA-N 446.671 4.675 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1740878300 KSOYENYRLOOWSC-UHFFFAOYSA-N 441.645 4.746 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC(F)(F)F)cc1)C1CC1 1740909467 MVRIFFDUYAVNMA-UHFFFAOYSA-N 429.446 4.750 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCC(C)(C)C1CC1 1740915252 ZHLIQFQVBKMGBB-UHFFFAOYSA-N 427.556 4.626 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1741002527 NOFVRQXESZSIHX-CEWLAPEOSA-N 426.630 4.812 30 10 IJEE CCOc1ccc(CCn2c(C(C)C)nnc2N2CCC(CC#N)CC2)cc1OCC 1746812273 HFZZDNKCVRNVEA-UHFFFAOYSA-N 425.577 4.572 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccccc1F 1748648165 ZMHABPWGUAGPKZ-CQSZACIVSA-N 444.352 4.611 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1748718106 ODYKHAYDAGNJNN-GOSISDBHSA-N 429.634 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC1CCCC1 1748869161 WFPUIPJIRVDFRA-UHFFFAOYSA-N 441.579 4.614 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCSCC=C 1748869247 ZKXGSHIMWVQRNS-UHFFFAOYSA-N 443.620 4.735 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1CCCc1nccs1 1748947042 YQAOUGBRCMTUHQ-UHFFFAOYSA-N 437.588 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[C@H]1CC 1749051792 NGNIXGFMRBCXFX-YZIHRLCOSA-N 433.600 4.966 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1(CCOCC)CC1 1749073750 YDCHZQUEALVMDJ-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(Cl)c1 1749133765 PZESQLDFHDVVRL-OFNKIYASSA-N 437.975 4.535 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 1749247051 PUDPNTURXPTZDT-UHFFFAOYSA-N 434.506 4.928 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749376214 RGOWBXFWXDDIFW-FGZHOGPDSA-N 438.616 4.939 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@H]1C 1749386938 OREUFNCEACAXSG-VIZSFHNOSA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749397048 ODHQLGKLCPGBLL-IBGZPJMESA-N 442.608 4.713 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1749404104 RONQJQDILQILCP-GOTSBHOMSA-N 436.648 4.711 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CC(C)C)C1 1749755551 JITQVUPATDSLLT-RXVVDRJESA-N 428.602 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccc(C2CC2)c1 1760125143 OOJNKIYODACVEC-AVRDEDQJSA-N 449.599 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@H](C)N1CCCCC1 1760126099 XZHHGWJBVSYBFA-RBUKOAKNSA-N 446.064 4.946 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC2(CCOCC2)C1 1760129857 AVFDJBGJHJMLTG-HXUWFJFHSA-N 440.563 4.758 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1760146639 RKFNGLZWQCLCKY-UNMCSNQZSA-N 448.640 4.573 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc3c(s2)CCCCC3)n1CCOC 1760240531 UNJOJXFPYKSPJU-UHFFFAOYSA-N 438.572 4.701 30 10 IJEE C=C(Br)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CCC)CC1CC1 1760301701 HOQFUZGZVUJCNA-UHFFFAOYSA-N 441.377 4.870 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H](C)c1nc(C)cs1 1760338412 JHXUOMRSXFXUEV-KRWDZBQOSA-N 425.602 4.849 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCCCO1 1760410344 AWUBRVRSITUWDP-JOCHJYFZSA-N 434.588 4.738 30 10 IJEE C=CC[C@H](Cn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C)c1ccccc1 1760419963 GSFXWORUAPOQFZ-PKTZIBPZSA-N 449.643 4.678 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOCC2(CCC2)C1 1760437010 ODUCPUBWFFGSKO-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CCC[C@@H](O)C1 1760458189 WHJRGSRLYREDPU-UKRRQHHQSA-N 439.785 4.534 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1760484552 DDFLKXYIKXCIMF-IBGZPJMESA-N 443.567 4.791 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@@H]1CCC[C@H](O)C1 1760487904 GVUAZVFTJOIPCV-YADHBBJMSA-N 436.625 4.869 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1c[nH]nc1C 1760490680 GISCYEHSRLGYHQ-QGZVFWFLSA-N 436.629 4.974 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1occc1C 1760499417 XZHIEZAAAKZTAK-UHFFFAOYSA-N 433.581 4.819 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCO[C@H]1CCCC[C@H]1C 1762845354 DCEINYNKCHHDAP-UWVAXJGDSA-N 447.530 4.880 30 10 IJEE Cc1nnc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2C2CCCCC2)s1 1772734974 DUIWMTUHVAZBBJ-AHDBMNBVSA-N 427.599 4.849 30 10 IJEE N#Cc1cccc(C(=O)Nc2cccc3c(OC(=O)NCCCCCC(=O)O)cccc23)c1 1858944516 FYLJLGMNNXCYJF-UHFFFAOYSA-N 445.475 4.697 30 10 IJEE N#Cc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 1859384807 RHMFIMJZTOURQV-UHFFFAOYSA-N 427.395 4.711 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1OCC(C)C 1861359711 XYEUJEWDFCDUHB-FYYLOGMGSA-N 446.632 4.554 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2c(Cl)cccc2Cl)cc1 1862395487 YSUPYMPWEXRRAG-HXUWFJFHSA-N 448.346 4.907 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(OC)c(O)c1 1862461051 WLIYBVCUPOTPPB-HXUWFJFHSA-N 449.425 4.587 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(CC)cc2)cc1 1862530065 MUMXMZRNHRXILY-DEOSSOPVSA-N 426.516 4.985 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1OC 1862576579 XJCCXUKYKBZBPK-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2CCO)cc1 1862584738 GMFSDUMHNSHOOJ-IBGZPJMESA-N 448.346 4.862 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F 1862625556 JTOAUIQQYIKFNC-NPMXOYFQSA-N 445.446 4.894 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccccc2C)cc1 1862626081 TXQOKYZDUUJKQT-XMMPIXPASA-N 441.483 4.811 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2C2CCCC2)c1 1862640455 OSPVOWZXWSHEOQ-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCc2cccs2)cc1 1862737556 XNHXBBARQFHETP-NRFANRHFSA-N 448.500 4.786 30 10 IJEE COc1cccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862803859 JVDHAEGLZQBLDE-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862976870 KCRPBEPFWMDMGR-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CCCCCCCCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCC(C)C)C1=O 1863553231 SWWHHJRXXCYJRL-UHFFFAOYSA-N 427.589 4.721 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccccc2C)n(-c2ccc(C)cc2)n1 1870001213 UCVWPLBAIKONHW-UHFFFAOYSA-N 445.567 4.860 30 10 IJEE CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(C#N)nnn1Cc1cccc2ccccc12 1870109146 KZYGNOXHQOJHSJ-SFHVURJKSA-N 439.519 4.881 30 10 IJEE C=CCn1cc(OCCCOc2ccc(Cl)cc2)c(=O)cc1CSc1nccn1C 1870221282 RKIBKNKRRAHQBP-UHFFFAOYSA-N 445.972 4.561 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN(CCC)CCC 1870326717 XPIVQMYBPOJQTC-UHFFFAOYSA-N 440.584 4.801 30 10 IJEE C=CCOc1cn(CCCn2ccnc2)c(CN(CCCC)CCCCCC)cc1=O 1870387891 XVDIAPCLYAXVHR-UHFFFAOYSA-N 428.621 4.882 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870830111 CSFRBWNLFLQJFY-UHFFFAOYSA-N 443.588 4.805 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871005193 SUIAYTFUZYKGBO-UHFFFAOYSA-N 426.438 4.734 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CNc1cccc(F)c1 1871171963 KGGVIVDDODUXTH-UHFFFAOYSA-N 449.526 4.926 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc4c3CN(CCc3ccccc3)CO4)C2=O)c1OC 1871344543 KXYWQDNTHZOFEX-IWIPYMOSSA-N 443.499 4.715 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccccc3OC)c2C)C1=O 1871458516 FLQJBHSCPVEGCL-UCQKPKSFSA-N 445.471 4.646 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4OC)cc(C)c3C2=O)c1 1871458704 FUEIPIROUGVPDM-QRVIBDJDSA-N 445.471 4.646 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(=O)(=O)c1cccs1 1872207956 QEYHLJIZWMENJJ-GOSISDBHSA-N 440.590 4.927 30 10 IJEE COc1ccccc1-c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872762981 BIYZBOKEWPMPSI-YVWKXTFCSA-N 445.544 4.605 30 10 IJEE CCCCCCCSc1nc2ccc(C(=O)N3CCN(C(=O)OCC)CC3)cc2[nH]1 1872821494 PIXWYVGPDCPBNL-UHFFFAOYSA-N 432.590 4.540 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2C)C(=O)N(C2CCN(C)CC2)C1=O 1873102344 OZDTYKLZNAOYOP-UHFFFAOYSA-N 439.644 4.899 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168469 WKJPWRKKMCRXCG-FQEVSTJZSA-N 425.532 4.711 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(NCc3ccccc3F)ncnc21 1873636923 FORXIVLDURSXKK-UHFFFAOYSA-N 431.471 4.629 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccc(F)cc1F 1874221236 ASWHAYCOYDYITJ-MFKUBSTISA-N 444.507 4.737 30 10 IJEE CCCOC(=O)CSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccco1 1874245043 QIVGIOLYUWCJNR-ZVHZXABRSA-N 442.585 4.558 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874264924 RHEKHAMIHGGQBE-YDZHTSKRSA-N 446.960 4.912 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2cccn2C)cc1 1874306340 RIHTUEWUYIWNEM-YZSQISJMSA-N 445.592 4.893 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccc(O)cc2)cc1 1874349159 XJOZAQYLEATNGU-CVKSISIWSA-N 448.523 4.897 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2/N=C/c2ccccn2)cc1 1874349197 ZFPNYUHDKBNTDC-CVKSISIWSA-N 433.512 4.586 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1C 1874359128 QENOZWDDZNAYJT-VULFUBBASA-N 448.514 4.861 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874371173 MPMBHHVUYCHGFW-UDWIEESQSA-N 433.946 4.847 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)cc1C 1874464603 SANOLISZSQRNAC-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(C(=O)OC)o2)cc1 1874488435 WYNGVAPRVPUOPJ-YDZHTSKRSA-N 426.542 4.593 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C2CCC2)c1 1874493846 HLYMRWZXIWFBCY-MFKUBSTISA-N 449.580 4.866 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1ccccc1F 1874504883 GIXRDAZJKJFAKY-ZMOGYAJESA-N 425.533 4.600 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2sccc2C)cc1 1874511562 DSARFMTXDIMRES-WSDLNYQXSA-N 427.599 4.947 30 10 IJEE COc1ccc(OCCCc2nnc(S)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1874568714 NHQNFZZIVLAJJE-WSDLNYQXSA-N 437.352 4.776 30 10 IJEE CCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)cc1 1874605314 WLGVHSFRHDGAGM-GXDHUFHOSA-N 444.487 4.749 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 1875085095 OXVYAKVLPTUEIM-DHZHZOJOSA-N 433.416 4.727 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cncc(C)c3)c([N+](=O)[O-])c2)cc1 1875130573 WRKXEYWQJPRELO-ONNFQVAWSA-N 432.432 4.812 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)COCCOC 1875149135 AHQXRPWWIWSYES-NTUHNPAUSA-N 440.536 4.847 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(Br)ccc3C)cc21 1890532389 UOAYKGDDQNJRCP-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE CC(C)[C@H]1C[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CN1C(=O)OCc1ccccc1 1892795267 YYXORLWPINEUQC-HYBUGGRVSA-N 427.545 4.715 30 10 IJEE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@H](CC#N)C1 1895892653 MDSHXQQCNGCYNL-NUDCOPPTSA-N 445.563 4.748 30 10 IJEE C#Cc1cccc(CNC(=O)[C@@H](CC)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1901531266 NXZGDCNXPIOXQB-AREMUKBSSA-N 438.527 4.601 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CCN(C(=O)OC(C)(C)C)[C@H]1C 1947964383 WBHRNZLYBGWPSR-HJPURHCSSA-N 431.533 4.728 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1988846532 KGEQLZZHPYWGJL-KUHUBIRLSA-N 435.487 4.715 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2c2ccc(Cl)cc2Cl)o1 2033813205 LBSQVLQNHXDZCA-AWEZNQCLSA-N 436.276 4.529 30 10 IJEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC3CC3)c(C(F)(F)F)c2)OC1(C)C 2052615807 HVSWZEDHACNKLZ-UHFFFAOYSA-N 432.295 4.816 30 10 IJEE CCOc1ccc([C@@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1 2080087330 JJDJAHHMTNKHLJ-GOSISDBHSA-N 435.309 4.881 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2124519740 MOUKQIRBOPFKHQ-GOSISDBHSA-N 444.381 4.661 30 10 IJEE Cc1csc(CN(C)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1Br 2157018709 ODFAAGXPWXTMRA-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(OCCNc2cc(Br)ccc2C#N)ccn1 2240655450 DLOPPRVVJSHQHJ-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)([C@@H](N)CC#CC2CCCCC2)C1 2248463095 LVFAEGWLGWLFLZ-QHCPKHFHSA-N 426.601 4.741 30 10 IJEE CC1(C)OB(c2ccc3nc(N(Cc4ccccc4)CC(F)F)sc3c2)OC1(C)C 2253405364 XJDQPDAAYAFKRQ-UHFFFAOYSA-N 430.329 4.867 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CC1CCN(C(=O)OC(C)(C)C)CC1)OCCC(=O)O 2262205360 LIIOYXDUOFAURW-JOCHJYFZSA-N 447.572 4.657 30 10 IJEE N[C@H](C#Cc1ccccc1Br)c1ccc(Cl)c(I)c1 2268307474 SSCXHAJFKXFBQG-OAHLLOKOSA-N 446.513 4.759 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 2296132662 BVHHMHSSOLMHJK-AVRWGWEMSA-N 439.511 4.940 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@@H]21 2296225052 QMKAXYQQWKZUEA-LZNRXBQRSA-N 433.390 4.698 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296266839 MNYCVGHOSKPPSI-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](N)C#Cc2ccc(Br)cc2)CC(C(C)(C)C)C1 2296309067 QAGMEBKTAMZJAU-OJCRERRGSA-N 435.406 4.848 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC(C)(C)N1C(=O)OC(C)(C)C 2296311292 VKVFZITZUZNIPF-MOPGFXCFSA-N 435.406 4.957 30 10 IJEE COc1cc(C=C2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)cc(OC)c1OC 2296883506 WUZINFAGZLDMHM-UHFFFAOYSA-N 439.320 4.911 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(Cl)cc2)cc1C 2296931442 MWPHMHTYNMXNTD-GOSISDBHSA-N 440.908 4.740 30 10 IJEE O=C1NC(=Nc2ccccc2Cl)SC1=Cc1cc2c(cc1Br)OCO2 2297200039 VNJONVGWUFINSD-UHFFFAOYSA-N 437.702 4.723 30 10 IJEE CCOC(=O)COc1ccccc1C=C1SC(=Nc2ccc(Cl)cc2)N(C)C1=O 2297460678 MWCCMYCRJJARBC-UHFFFAOYSA-N 430.913 4.516 30 10 IJEE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)o1 2313558268 WVPAJLPPMCWYAY-UHFFFAOYSA-N 439.424 4.894 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2COc2cccc(C)c2C)ccc1OC(C)C 2322052295 QSPQNOMFIMJNOQ-UHFFFAOYSA-N 440.569 4.831 30 10 IJEE CCOc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(NC(C)=O)c3)ccc2C1=O 2322953280 CLDQSDRULMYIKT-UHFFFAOYSA-N 443.455 4.879 30 10 IJEE COc1cccc(-c2csc(NN=Cc3cc(OC)c(OC(C)C)c([N+](=O)[O-])c3)n2)c1 2323852008 GIKLFBBQRXRMRL-UHFFFAOYSA-N 442.497 4.969 30 10 IJEE CCCN(CCC)C(=O)COc1c(OC)cc(C=CC(=O)c2ccc(F)cc2)cc1OC 2324181860 FQCWZWXNVCPXCQ-UHFFFAOYSA-N 443.515 4.766 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1sccc1C 2325513565 DZRBIYGICNFREM-UHFFFAOYSA-N 432.571 4.935 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2cccc(OCC(C)C)c2)o1 2326838751 CBMCVDVKFVKNLB-UHFFFAOYSA-N 442.541 4.566 30 10 IJEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1N=Cc1ccc(Cl)cc1 2326951835 NKAIMOMTNKWTCJ-UHFFFAOYSA-N 431.005 4.657 30 10 IJEE Cc1ccc(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327863656 WTYXGDUDUPRVTM-NRFANRHFSA-N 447.608 4.875 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccco1 2328445504 QHALLGGRNFOGQL-UHFFFAOYSA-N 433.493 4.853 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CCc2ccccc2OC)nnc1SCC=C 2328696560 YHDPDABICMODPU-UHFFFAOYSA-N 434.565 4.797 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cncc(C)c1 2330642935 ULWKTHMQPPGJNR-UHFFFAOYSA-N 432.432 4.812 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1OCCC 2330705341 IAQMXNRDIKDKDR-UHFFFAOYSA-N 438.553 4.661 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3ccccn3)c(OC)c2)cc1C 2330857279 HGBWDNNAAMGIAF-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccccc1C 2330896078 KDQXAVBRTJKVDY-NRFANRHFSA-N 449.580 4.613 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2331397504 KBAUMTBFYZALBO-UHFFFAOYSA-N 429.472 4.639 30 10 IJEE Cc1ccccc1C=Nn1c(CC(C)C)nnc1SCC(=O)Nc1ccc(F)cc1 2331435985 AHSKAIOKVYDSFP-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 2331512395 DOLJDUVDYSCVSW-UHFFFAOYSA-N 434.423 4.915 30 10 IJEE COc1ccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3C)nnc2C2CCC2)cc1 2331546041 XEBTYBIOMRULSC-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1sccc1C 2331637112 BEUPQLUUNIDVDS-UHFFFAOYSA-N 427.599 4.830 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339584865 HMFJOPLURKLUGE-WKWPXIAWSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)c(F)c1 2342475208 OZZFFKJWBAAMAV-QHCPKHFHSA-N 448.344 4.871 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2360197908 YBEPAHDMEZLGJQ-HOJAQTOUSA-N 435.406 4.862 30 10 IJEE C=CCc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[nH]n12 9640874 MADOZZWPGZDNTJ-UHFFFAOYSA-N 438.940 4.638 30 10 IJEE CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C#N)cc3)sc2c1 15868272 CZUKOVMPFOLKIL-KRWDZBQOSA-N 429.505 4.535 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nc2ccccc2c1=O 23349371 DTAAPLIKBHBZNJ-JKSUJKDBSA-N 433.533 4.687 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccc(OC)cc1 23998323 CLVHIZFPLZLMFC-ROUUACIJSA-N 448.592 4.988 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N/c1cccc(C(F)(F)F)c1 33707460 KDKKEJAUBCCROG-ZRRMFLMDSA-N 439.434 4.825 30 10 IJEE N#C[C@@H](C(=O)c1cccc(I)c1)c1cccc(Br)c1 36765715 JPXJTCMGVHWGGC-CQSZACIVSA-N 426.051 4.544 30 10 IJEE CCn1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C2CC2)C4)c2cc(OC)ccc21 41651197 QNYJLWWKZCGNFT-RMORIDSASA-N 430.504 4.909 30 10 IJEE COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccc(OC)c2)C4=O)cc1 41656928 ZZQTYGPJGLOWPT-CFRMEGHHSA-N 429.472 4.672 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3cccc(Cl)c3Cl)n[nH]2)cc1 59019480 JMYGWXFCRYKBOD-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE Cc1nn(Cc2ccccc2)c(C)c1/C=N/Nc1ccc(I)cc1 59156290 KRIBYISYQWBXJM-CIAFOILYSA-N 430.293 4.599 30 10 IJEE O=C1Nc2ccccc2/C1=C1/S/C(=N/c2cccnc2Cl)N(c2ccccc2)C1=O 101126877 KQPSDODJZUKZOV-NIWRINFCSA-N 432.892 4.866 30 10 IJEE Cc1cc(C)c(S(=O)(=O)/N=C2\C=C(NCc3ccccc3)C(=O)c3ccccc32)c(C)c1 103746473 JCXKKAIXFTUFNN-WEMUOSSPSA-N 444.556 4.660 30 10 IJEE O=C(C1=C(O)C(=O)N(c2nc3ccccc3[nH]2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 169965349 QLYMBSSPDINWBJ-FQEVSTJZSA-N 445.862 4.705 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 170063774 BFXMRHAQNWQERE-QFIPXVFZSA-N 446.409 4.628 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(O)c2)cc1C 170080661 KXJZEVHUSXLSSY-JOCHJYFZSA-N 444.443 4.700 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 170143169 BJFNKLXQPRDADX-FYYLOGMGSA-N 435.520 4.540 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccnc2)c1 170184180 ZVTJOUOIDCNNKJ-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccncc2)cc1Cl 170206251 FNDLSANOVBTVMK-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)C)c2)[C@H]1c1ccc(F)cc1 170242565 JXTFMMCOBPSAQK-JOCHJYFZSA-N 441.499 4.573 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2OCC)[C@@H]1c1c[nH]c2ccccc12 170255631 VOOBDYOEVHUPOP-QHCPKHFHSA-N 448.519 4.954 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170292668 ATHXQXAOGKXNRP-GOSISDBHSA-N 429.259 4.760 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccco1)c1ccc(Cl)c(Cl)c1 170292949 NNCOGEIJCPIGCJ-SFHVURJKSA-N 429.259 4.760 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccco2)cc1C 170293032 WIQCXURIONAVOV-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccco2)cc1C 170296254 ZCXFFYYSYIDRKZ-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE N#C[C@H](c1ccc(I)cc1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 310026931 VSJBBUBWKXHFHF-PKOBYXMFSA-N 446.288 4.557 30 10 IJEE O=C(NCCC(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 469393590 PDQOBPKQMZRLRM-LBPRGKRZSA-N 438.290 4.760 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 478780093 QYJCFFZGOKMLER-SANMLTNESA-N 449.510 4.954 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 508843420 COJXJEFUNIINHE-UHFFFAOYSA-N 447.505 4.521 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 508959519 GCWGXPGGIRHTHG-QGZVFWFLSA-N 448.036 4.541 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 523580568 VRKRPUCKEJHVKW-QFIPXVFZSA-N 439.943 4.562 30 10 IJEE CN1CCC[C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H]1c1cccs1 524642757 FLYHCQMQIUNTKW-FDDCHVKYSA-N 435.549 4.605 30 10 IJEE N#Cc1ccc(-c2nnc(Cn3cnc4scc(-c5ccc(Cl)cc5)c4c3=O)o2)cc1 525622315 AFNYGOHEZFIIJZ-UHFFFAOYSA-N 445.891 4.748 30 10 IJEE CCOc1cc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc(Cl)c1OC 526803303 WPWZTCBKNFFOCX-KSEXSDGBSA-N 434.924 4.961 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 555242345 KCVNUCMEAVLMQQ-UHFFFAOYSA-N 427.637 4.596 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1cccc(C#N)c1 586162369 YRPJTUNDVZTRRX-UHFFFAOYSA-N 438.524 4.714 30 10 IJEE COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccc(C)c(C)c2)cc1OC 586228174 RLCNHBLCALGLAZ-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 733202693 VXLFZTXRAWHBBY-SFHVURJKSA-N 445.466 4.689 30 10 IJEE CC(=NNc1ccc(C#N)cc1C(F)(F)F)c1ccc(OCC(=O)N2CCCCC2)cc1 799492281 OHRVOFLWCDDVOI-UHFFFAOYSA-N 444.457 4.804 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)O[C@@H]1CCc2c(Cl)cccc21 803237336 DYRGMQZMLKVDLP-CQSZACIVSA-N 428.819 4.654 30 10 IJEE C=C(C)[C@H](CC(=O)NCCN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O)OCC 1124350876 USSXZPSQYOVRSJ-QIYXJHPLSA-N 444.597 4.508 30 10 IJEE CCN(C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)[C@H](C)c1ccc(C#N)cc1 1136395142 AGPXIUNTSQFJOO-OAHLLOKOSA-N 428.558 4.904 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](COc1ccccc1)c1ccccc1 1144832929 IEPGGNFUSFZWKZ-DEOSSOPVSA-N 427.504 4.604 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)Cc2cc3c(cc2OC(F)F)OCO3)cc1OC 1179906103 QZHFXLHIAFTTCV-UHFFFAOYSA-N 441.858 4.876 30 10 IJEE COc1ccc2c(C)cc3nnc(SCC[C@](C#N)(C(C)=O)c4ccccc4)n3c2c1 1188029679 BKKPGVNTYWMHLM-DEOSSOPVSA-N 430.533 4.732 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1ccc(Br)c(C(=O)OC)c1)c1ccc(F)c(F)c1 1216729647 BPHWNMYOCJSRGY-QGZVFWFLSA-N 439.256 4.953 30 10 IJEE O=C(NCc1cnccc1C(F)(F)F)Nc1ccc(F)cc1OCCC(F)(F)F 1216866692 AJHWRYVMZUFWRJ-UHFFFAOYSA-N 425.304 4.892 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1220417089 LXMVFVJDRAEAON-KURKYZTESA-N 429.565 4.805 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)N(Cc3cccc(F)c3)C3CCCC3)CC2)c1 1252506243 CPYXACSUUPNTMW-UHFFFAOYSA-N 434.559 4.816 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1253028643 WVTOISOWMPUFNP-SANMLTNESA-N 439.559 4.824 30 10 IJEE C=CC[C@H]1N(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CCCC1(C)C 1255412912 JAIOJNZKUZIPOF-IAGOWNOFSA-N 429.552 4.655 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2[C@@H](C)[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC 1277021673 DDPIDQDEYXYXDG-OSBJZDJKSA-N 444.572 4.518 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1286319935 ZRNLSXWPSRGCHZ-HXUWFJFHSA-N 447.549 4.768 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286593531 OAFMPIRVJDZWSZ-QGZVFWFLSA-N 432.952 4.877 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1 1286698915 KGZQNNPFFAAZJA-HNNXBMFYSA-N 425.396 4.599 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCO[C@@H](C)C1 1286747296 HZHRENXQAJVZEP-AZUAARDMSA-N 433.581 4.886 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CC1(OC)CCC(C)CC1 1286748754 ACIQCCOKRQBTJP-FVRICEFQSA-N 430.618 4.631 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1286778124 RNWMOXOEUFILKE-PXNSSMCTSA-N 441.576 4.742 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Sc2ccccc2)C1 1286809489 SUAJQFLTGCNZOH-VQTJNVASSA-N 435.597 4.611 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C 1297341908 NFESVWRJBXRGCD-SFHVURJKSA-N 444.963 4.894 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1300321866 OXOOHFXJGPNECB-MXEMCNAFSA-N 438.616 4.816 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 1300339970 TYLAWWPDNCEOFN-OALUTQOASA-N 430.980 4.717 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C 1300377202 SBEWQWKHKCUREK-UXHICEINSA-N 429.609 4.778 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1300422054 XGOUQCPKZDGDCE-QHCPKHFHSA-N 448.567 4.968 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1300570210 ZNZILMKJKIMKIX-LJQANCHMSA-N 426.511 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN(C)CCCC 1300788080 QTBOHQIOGMLCRP-YADARESESA-N 444.023 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)N1CCC(C)CC1 1300790435 QQMXNSLZCOXBTK-NTKDMRAZSA-N 426.008 4.711 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)C(=O)NC 1300900306 CHPIYZFDVZALEO-UHFFFAOYSA-N 446.020 4.988 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1300963302 RSWOSBPOQAJAAO-XZOQPEGZSA-N 437.632 4.832 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@@H](C)[C@@H]1C 1300973534 ZIWGRFUMDRIETG-OALUTQOASA-N 437.613 4.725 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCOC2(CCCCCC2)C1 1300993768 GLUAUTORQUWOJV-UHFFFAOYSA-N 442.579 4.530 30 10 IJEE C=C(Cl)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1c(C)nn(C)c1C 1301023056 BNJNINBEFBEVCG-CYBMUJFWSA-N 445.036 4.871 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOCCc2ccccc2)CC1 1301075539 IFDFBCSRUWGTBK-UHFFFAOYSA-N 437.975 4.799 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(CC)CC)CC1 1301155367 NKGJXPCNKVBPJZ-UHFFFAOYSA-N 430.666 4.547 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C=C)CC1)c1ccccc1 1301163628 KZGWZECCOZLNTL-QFIPXVFZSA-N 442.567 4.688 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 1301174187 OAWFEPXNNSAQNL-NQIIRXRSSA-N 438.551 4.989 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1CCc1cc(F)cc(F)c1 1301410339 CDCYXVBUGXXMPR-UHFFFAOYSA-N 435.478 4.689 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS[C@@H](CC)C1 1301606123 JNIUFURSQVEGII-KRWDZBQOSA-N 427.643 4.688 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1301621518 ZIDLOPDAJQAVGL-LJQANCHMSA-N 437.997 4.585 30 10 IJEE COCCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cscc1C)[C@H]1CC[C@@H](C)C1 1301747945 HQNATOSCCRBGPI-VGSWGCGISA-N 435.597 4.876 30 10 IJEE N#Cc1cc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)ccc1Br 1307405911 IFSRAOMVYARTTJ-UHFFFAOYSA-N 449.348 4.971 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCCN1CC(F)(F)F 1310182039 FYALLLVALKKJMF-QGZVFWFLSA-N 432.446 4.807 30 10 IJEE C=CC[C@H](NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccncc1 1312022408 UIHVWJCBGKZDGS-RPWUZVMVSA-N 429.520 4.525 30 10 IJEE COCCC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@H](C)CC#N)CCC1 1315978089 HBBLRDBUVRTGRS-MRXNPFEDSA-N 446.393 4.653 30 10 IJEE C=CCc1ccc(OC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 1353762883 NAOVMASOUWLKDV-HXUWFJFHSA-N 429.435 4.519 30 10 IJEE Cc1sc(NC(=O)c2cc(C#N)cc(N(C)C)c2)nc1-c1ccc(OC(F)F)cc1 1356128596 HYOHCWJQJRPUBS-UHFFFAOYSA-N 428.464 4.910 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1358916035 XQZKINPQTYUSHX-UHFFFAOYSA-N 431.584 4.734 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](OC)C(C)(C)C 1358986332 UUOYINOSUTYYAY-NQIIRXRSSA-N 442.991 4.596 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1ccccc1C 1359118064 MPUZHLJOXLYZCQ-UHFFFAOYSA-N 428.378 4.957 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(N(CC)CC)CC1 1359190208 IIJKLTPHACMQPG-UHFFFAOYSA-N 427.612 4.921 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@](C)(C(=O)NC)C1 1359209329 KBILGIFESFSZPB-QFIPXVFZSA-N 444.004 4.742 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1359232750 CZHKCMODPYRCTH-OYRHEFFESA-N 447.631 4.716 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 1359262543 WZZLANPYEUTXQL-QHCPKHFHSA-N 437.613 4.686 30 10 IJEE C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC(F)(F)CO1 1359266739 KQYVHCWQLFZCKB-MAUKXSAKSA-N 438.906 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1359269763 ORDBWKNLUZLOTJ-UHFFFAOYSA-N 448.571 4.857 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC1(c2ccccc2OC)CCC1 1359270655 XZEXIERWPMUTJI-UHFFFAOYSA-N 429.568 4.957 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCS1 1360766766 CJRZOOSXWKGRFX-SJLPKXTDSA-N 429.565 4.583 30 10 IJEE C=CCN(C(=O)c1cnc(-c2ccccc2F)s1)[C@H](Cc1ccccc1)C(=O)OCC 1435901618 UIQARWIZFQQLNV-HXUWFJFHSA-N 438.524 4.752 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 1436556526 DBKQZKBATIBEOR-HXUWFJFHSA-N 430.474 4.602 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 1441058967 NLJIQHUCCAGMBX-FQEVSTJZSA-N 430.552 4.921 30 10 IJEE C#CCN(C(=O)c1ccnc(-c2ccccc2)n1)[C@H]1CCOc2ccc(Br)cc21 1456451146 STUNWKIUARATRW-FQEVSTJZSA-N 448.320 4.505 30 10 IJEE CC(=O)N(c1nc(Cn2cc(C#N)c3ccccc3c2=O)cs1)c1c(C)cc(C)cc1C 1459171876 ALPCVTLLPPCFCU-UHFFFAOYSA-N 442.544 4.988 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(COc4ccccc4)CC3)c2C#N)C1 1459341288 CIIYJIVJOXXYPH-SFHVURJKSA-N 437.609 4.864 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21 1459981426 VEHCXLJSHGDHBQ-SESVDKBCSA-N 428.374 4.717 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1462185094 SDZHADUJCWDTTN-HXUWFJFHSA-N 426.435 4.716 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccccc1 1462500028 AENFZLKCDCQEJK-HSZRJFAPSA-N 428.488 4.903 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2csc(C)n2)s1 1463795170 JGXWHIKKIJPJNN-AWEZNQCLSA-N 442.006 4.832 30 10 IJEE C#Cc1cccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)c1 1464982618 XWNSRJYGDOBTBC-GOTSBHOMSA-N 449.551 4.591 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)c3ccc(Oc4cccc(Cl)c4Cl)nc3)C2)cc1 1466735766 BNDGNYVVNMFICL-UHFFFAOYSA-N 440.286 4.956 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2cc(CC#N)ccn2)c2ccccc2Cl)c(OC)c1 1467112199 BUVVKOJQQAXVMG-JOCHJYFZSA-N 436.899 4.729 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C[C@@H](C)C[C@H](c4ccccc4)C3)ccc2c1=O 1472578492 RDUBDAMHMCXWRN-FFZOFVMBSA-N 433.577 4.573 30 10 IJEE C=CCOCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 1472940676 BNFVKNPFLJOLSO-UHFFFAOYSA-N 426.607 4.874 30 10 IJEE COc1cccc(O[C@@H](C)CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1476581193 CMPWHPJFKZXCSH-KRWDZBQOSA-N 447.539 4.639 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)c1ccc(Cl)cc1 1477239700 IUYGULNJWMIELL-GOTSBHOMSA-N 425.960 4.549 30 10 IJEE Cc1cccc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)n1 1492528074 CSDPTJZDNWOLAL-UQBPGWFLSA-N 448.546 4.633 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)c1ccccn1 1507520746 QPQXJEPDDYZMLA-INIZCTEOSA-N 438.373 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1507540916 GSNVJOUAPTUEQM-XTJBDQBJSA-N 447.652 4.666 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H](C)N1CCCCC1 1507644926 PVESEZAYFRHBDI-NRFANRHFSA-N 449.668 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@](C)(O)c1cc(C)oc1C 1507817014 MFTKKNDKAMTDIB-AREMUKBSSA-N 447.583 4.957 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(Cc1ccco1)C(C)C 1507856013 CVQUHPAEMKKVKA-UHFFFAOYSA-N 446.935 4.731 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cccs2)CC1 1507857005 HGTGYRILJZMSPD-IBGZPJMESA-N 428.005 4.961 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1507899013 ZAECPGNULZEDAG-PZJWPPBQSA-N 444.526 4.930 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@](C)(CC)C1 1507910710 BETDVXXHKMDOFB-RUZDIDTESA-N 434.588 4.943 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(C)C1)c1ccccc1 1507930731 ZLGGNSKECLEEKY-OAQYLSRUSA-N 447.608 4.786 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507933111 GXIJOHYYOAPOMT-OAQYLSRUSA-N 439.604 4.637 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H]1C(F)(F)C12CCC2 1507998133 CQSXVTCJGYANEL-FQEVSTJZSA-N 425.527 4.976 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CCc1sc(C)nc1C 1508026535 FZDIGPIJBJIVCN-UHFFFAOYSA-N 437.569 4.991 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(C)C)C1 1508151657 ZWKUVYLZDJJJRJ-SFHVURJKSA-N 430.618 4.754 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(N2CCCCC2)c1 1508416204 FMBQWUBEZRNEMF-SFHVURJKSA-N 449.990 4.628 30 10 IJEE Cc1cccc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)c1 1510593943 FIEPRNNFINZENI-GUQHISFFSA-N 439.579 4.751 30 10 IJEE Cc1csc([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)n1 1511450256 ADRZDEFUGXKXAJ-HOCLYGCPSA-N 444.992 4.818 30 10 IJEE C#CCN(C(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1nccs1 1514738756 QUDMSCOZDOGMBY-UHFFFAOYSA-N 449.333 4.796 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H]1CCCc1ccccc1 1517443559 FFIRQPIDFWIQFS-GOSISDBHSA-N 427.342 4.713 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1519727750 FDZBPQXKRXBJRZ-UZUQRXQVSA-N 434.964 4.666 30 10 IJEE C=CCn1c(Cc2ccccc2Cl)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 1520305706 RMNPYYHVZMECIU-UHFFFAOYSA-N 445.995 4.544 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1 1523209100 BWVAGOFNFLDIJS-AREMUKBSSA-N 445.584 4.992 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)ccc1F 1523922323 ZUIIPCLYPXBNOD-QFIPXVFZSA-N 446.588 4.715 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1ccc(Br)cc1 1525053630 DKOTYRHSHKUFRN-QFIPXVFZSA-N 447.332 4.830 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)CCCN1C(=O)OC(C)(C)C 1525425760 UIQBJTVPKONRLC-SANMLTNESA-N 444.535 4.733 30 10 IJEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Cl 1525622430 HEBPHOANOSVXRF-HSZRJFAPSA-N 441.915 4.525 30 10 IJEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccccc2)c1Br 1526307209 CJEBCZZCFQAELN-UHFFFAOYSA-N 437.341 4.805 30 10 IJEE C=CC[C@H](C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 1529382894 GZGDTNNPCLMVGI-QFIPXVFZSA-N 440.499 4.660 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(-c2ccccc2CC)nn1 1529485954 RFXWNWFEGXZHRX-UHFFFAOYSA-N 443.320 4.560 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCCN(C)C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1535468159 NCXJDTAVXZPWMK-HXUWFJFHSA-N 442.943 4.690 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@]2(C)CC2(C)C)c1 1537158910 WOVMSSSTXCRRQI-QHCPKHFHSA-N 447.000 4.887 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)CCOc1cccc(I)c1 1537950368 ZPCRPAKYBLWBOX-UHFFFAOYSA-N 427.326 4.655 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1SC 1539096326 YDMAYCBPLLIXCR-UHFFFAOYSA-N 444.402 4.807 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1539288229 AOPVTHARLCVMAQ-RTBURBONSA-N 430.474 4.532 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(C)(F)F)cc1 1539307992 ZNONFVAHLJIBCW-UHFFFAOYSA-N 439.897 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(CC(C)C)CC1 1539533760 HAHAQZYIJOVQDX-RUZDIDTESA-N 433.600 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCc1nc2ccccc2[nH]1 1539659314 RRCHRJLOCQWDRG-UHFFFAOYSA-N 435.963 4.905 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccccc1C 1539779109 NLXDBMBXAYWZMK-UHFFFAOYSA-N 434.769 4.743 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1539811111 BFMISSATIQJSFO-LJQANCHMSA-N 429.977 4.736 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1539891657 IKKRYNUMVVSIPG-QPPBQGQZSA-N 426.580 4.862 30 10 IJEE C=CCCCn1c([C@H]2CCCO2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1540020315 TYZRCEYJDNVOCQ-DNVCBOLYSA-N 431.378 4.982 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1nnc(CC)s1 1540048226 RXNRVWVRBAEANV-OAHLLOKOSA-N 447.008 4.773 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(C)s2)cc1 1540878253 SELKCNQXGUSFET-UHFFFAOYSA-N 433.581 4.903 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCC(OC(C)C)CC1 1540881003 WPCKCBUCBALCOE-UHFFFAOYSA-N 447.583 4.655 30 10 IJEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 1544463087 AORCCFVHSWSQDF-DEOSSOPVSA-N 433.531 4.727 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1 1544752575 AETVLXJIYKHXOQ-UHFFFAOYSA-N 433.529 4.623 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1557178540 LKNHRXUIRRCKTQ-MDZRGWNJSA-N 446.979 4.741 30 10 IJEE C=CCc1ccc(OS(=O)(=O)c2cnc3c(Br)csc3c2)c(OC)c1 1561064075 ZSBTVRXDTLLHQY-UHFFFAOYSA-N 440.340 4.564 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@H]2C)c1 1562126295 WZQXHCIASLHIMO-HDICACEKSA-N 449.551 4.757 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2OCc2ccccc2)cc1 1562235967 YPYZKTMUESGLAC-UHFFFAOYSA-N 429.520 4.845 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1)C1CCOCC1 1564206792 NLTYKASXDPSNIP-FGZHOGPDSA-N 430.520 4.504 30 10 IJEE C=C[C@H](C(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1)c1ccccc1 1583317639 XCQCIUHFHRLDNB-VWLOTQADSA-N 428.532 4.641 30 10 IJEE C=CCC[C@H](C(=O)Nc1cc(I)cc(C(=O)OC)c1)c1ccccc1 1583913430 JVPRWTQMLCDJAQ-SFHVURJKSA-N 449.288 4.766 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1587817740 FIVFXKVBMBXIDO-HSZRJFAPSA-N 432.515 4.601 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H](C)N1CCCCC1 1588109870 QNFMPAVHQFRMEG-SFHVURJKSA-N 444.410 4.589 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@H]1CCO[C@H](C)C1 1588284637 XKHDVINUKVCCMM-MOPGFXCFSA-N 426.630 4.940 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1cccs1)N1CCCC1 1588297744 GEUVSEZUYMYINY-FQEVSTJZSA-N 440.016 4.957 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCC1CC(OC(C)(C)C)C1 1588561015 YRIFGORPZXLWKS-UHFFFAOYSA-N 438.591 4.993 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)CCCC1 1589663705 PBTAYBCIXFOIML-LJQANCHMSA-N 447.624 4.569 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1594076944 DUSROIQJVRIEIW-UHFFFAOYSA-N 447.436 4.625 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[S@](=O)CC)CC1 1594202890 VAEOSAUEYXYCCU-GDLZYMKVSA-N 449.045 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1594491692 IJVCZKCXIWLLKZ-UHFFFAOYSA-N 430.618 4.578 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1594492068 RVLMSBFQCDRNDX-NJYVYQBISA-N 445.652 4.643 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1594986291 SNOATMQQSPPEHM-RXVVDRJESA-N 427.643 4.697 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)N1CCCCC1)C1CC1 1595064808 BUQICEFARFEIND-UHFFFAOYSA-N 437.632 4.893 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](C)c2ccccc2)C1 1595700680 RASBCPXJXYJFOV-RXVVDRJESA-N 437.975 4.969 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C)[C@@H]1C 1595844610 FJZICGAOWCXQCR-YESZJQIVSA-N 436.622 4.807 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1611646493 GXEWDVSMMQWYPC-KRWDZBQOSA-N 448.537 4.572 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)c2nc(C)cs2)CCS1 1614216108 DSAGXTLKYBGKGV-HNAYVOBHSA-N 438.626 4.717 30 10 IJEE C=CCOC[C@@H](NC(=O)c1cc(-c2ccc([C@H](C)CC)cc2)nc2ccccc12)C(=O)OC 1617951538 WAMFVBQCGHKFKS-IQGLISFBSA-N 446.547 4.889 30 10 IJEE Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](CCC#N)c3ccccc3)ccc2C)cc1 1623517734 IFSKIHHTSKRGPI-HSZRJFAPSA-N 447.560 4.879 30 10 IJEE N#Cc1cc(F)c(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)c(F)c1 1623613547 HSVVMBAHMCQOOP-UHFFFAOYSA-N 433.336 4.973 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2ccc(SC(C)(C)C)c(F)c2)C1 1625154750 FXKFTFXTMZYEOS-BBRMVZONSA-N 436.553 4.597 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CCCN1C(=O)OC(C)(C)C 1625348185 GYIFWPWCSFVHNF-VWLOTQADSA-N 435.524 4.951 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1sc(C(F)(F)F)cc1C(=O)OCC 1625372400 NQZRQGQIHWDSJH-UHFFFAOYSA-N 428.432 4.830 30 10 IJEE C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 1633211572 DFFMWDMZTISRFY-NSHDSACASA-N 434.355 4.781 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1 1635148395 KYGJLJMJKFUFJY-UHFFFAOYSA-N 440.341 4.763 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(OCC)cc2)CC1 1636540589 BFSOOXYFGJPNBB-QFIPXVFZSA-N 428.573 4.951 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3ccc(F)c(F)c3)c2)c1 1636690304 ZONNPOSDZLMSSY-UHFFFAOYSA-N 425.456 4.681 30 10 IJEE C=CC1(CC(=O)N2CC[C@@H](c3cccc(OC)c3)C2(C)C)CN(C(=O)OC(C)(C)C)C1 1636972500 QFQREPJGVPXOPD-FQEVSTJZSA-N 428.573 4.603 30 10 IJEE C#CCC1(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)CCCCC1 1639186811 AUYSQUNTTGVWFI-HXUWFJFHSA-N 432.564 4.543 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3csc([C@@H](C)NC(=O)OC(C)(C)C)n3)cc2n1 1639187567 RDLQRTVRRKQKSJ-CYBMUJFWSA-N 427.530 4.517 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(C)c2ccc(C(=O)NC(C)(C)C)cc2)ccc1Cl 1643453266 CROWKBXQCTULRN-UHFFFAOYSA-N 440.975 4.560 30 10 IJEE C=CCn1c(SCC(=O)N(C)[C@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CCCC3 1643476511 LXYQYINRKKIVSO-WBVHZDCISA-N 445.654 4.652 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(Sc3ccccc3)c2)s1 1645707826 ZFESQLUMOLFYES-UHFFFAOYSA-N 444.603 4.545 30 10 IJEE C=CCC1(O)CCN(C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)CC1 1645771911 HLJQBQRMRUBBQB-HXUWFJFHSA-N 448.332 4.638 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)c1ccccc1 1646627213 YXZYXFXELYKELV-HKBQPEDESA-N 434.517 4.801 30 10 IJEE CO[C@H](c1ccc(Br)cc1)[C@@H](C)NCc1cc(C#N)ccc1Br 1650854210 CJVAWUCMOLARAT-XIKOKIGWSA-N 438.163 4.949 30 10 IJEE O=C1C[C@H](NCc2c(F)cccc2OC(F)(F)F)CN1c1cccc(C(F)(F)F)c1 1657342268 HDWHMZXHSBNQCP-LBPRGKRZSA-N 436.327 4.638 30 10 IJEE COc1cccc([C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)OC)c1 1658869379 FQOVUBNEFQWVKT-XMMPIXPASA-N 447.491 4.877 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 1660840138 HJDALNRAQYFWRV-WZONZLPQSA-N 447.535 4.618 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC1(c2ccc(F)cc2F)CCCC1 1662877479 HUYCNEMQWOYFEO-UHFFFAOYSA-N 444.425 4.646 30 10 IJEE C=CCC[C@H](NS(=O)(=O)Cc1noc2c1CCCC2)c1ccc(C(F)(F)F)cc1 1662981336 ZPEUMZVGZBHPRR-KRWDZBQOSA-N 428.476 4.699 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)Cc1c(Br)cncc1Br 1663657522 QEFJSTMDWJMWGM-UHFFFAOYSA-N 426.152 4.803 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccnn2Cc2ccc(Cl)s2)cc1 1665001424 CDKVBOLYVVAUBS-UHFFFAOYSA-N 430.921 4.598 30 10 IJEE Cc1c(S(=O)(=O)NCc2cccc(OCC(F)(F)F)c2)sc2ccc(C#N)cc12 1666463314 GLFYEPSNWJYLFE-UHFFFAOYSA-N 440.468 4.501 30 10 IJEE COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(C#N)ccc1C 1666803881 GWZFBUMQUZZWCZ-FQEVSTJZSA-N 434.561 4.697 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 1667119704 BTWXNZOFAFAPLE-JOCHJYFZSA-N 434.561 4.969 30 10 IJEE CCc1ccc(CN2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)cc1 1667655617 IFRPVMVMFDIUFK-UHFFFAOYSA-N 445.592 4.518 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1675406485 DZBNZASFSMVEJC-NRFANRHFSA-N 445.579 4.957 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@]1(CO)CCc2ccccc21)c1ccc(C(F)(F)F)cc1 1679305513 OQHKEAUBKSMIMI-JTHBVZDNSA-N 432.486 4.888 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccccc2Oc2cccc(Cl)c2)C1 1684082381 AMRZGVJKGOCUGG-AZUAARDMSA-N 425.960 4.932 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1scnc1C 1689827502 GEXOUDHZRGVINJ-ZBFHGGJFSA-N 429.977 4.537 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1csc(C)n1 1689866381 AZLKFFPAPVQANU-CQSZACIVSA-N 432.018 4.689 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1689897988 OAIOFIPFLKNXID-FQEVSTJZSA-N 437.588 4.645 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCCN(C(C)(C)C)CC1 1689914766 CIYDWJFJWXUSFG-UHFFFAOYSA-N 430.600 4.526 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC1(SC)CCC1 1689972135 FZUDKACIUVCYFK-UHFFFAOYSA-N 433.021 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1cc(Cl)ccc1OC(F)F 1690048944 UJOAMLJETDZIOQ-UHFFFAOYSA-N 434.918 4.633 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CCOC)CC(C)C 1690239386 VQZFBJXXPAEUGR-PZJWPPBQSA-N 432.996 4.689 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@](C)(OC)C1 1690337113 DJQNVNVSHPNXGI-QHCPKHFHSA-N 448.995 4.890 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690473698 DSQWJNYLKXGUPM-BETUJISGSA-N 428.325 4.729 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690475368 PEVJNVQUIGPITM-CABCVRRESA-N 437.407 4.741 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)C[C@H]1CCCO1 1690476802 PBUOIVDPLKGKPD-QGZVFWFLSA-N 449.393 4.688 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1690521447 ZCYIGDUFZCUISN-IRLDBZIGSA-N 432.597 4.584 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@H](C(C)C)N1CCCC1 1690569371 GTVQGAIZASFNKU-HSZRJFAPSA-N 436.579 4.725 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1nccs1 1690577570 JVWNXZMZNMTQSN-IAGOWNOFSA-N 429.615 4.686 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)OCCc2sccc21 1690588037 GOJCAKHWMNMLLT-JOCHJYFZSA-N 441.988 4.722 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC(CC#N)CC1 1705513456 MNRWAWFTVFTQME-UHFFFAOYSA-N 426.362 4.641 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(F)(F)CC1 1705705506 IIRUQOYXUVXABF-IFMALSPDSA-N 430.543 4.670 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1705783702 QVMGCPSENXKYJI-OAQYLSRUSA-N 435.547 4.663 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](COC)C1 1705826088 MZTCQOZINRGBFV-MRXNPFEDSA-N 439.387 4.707 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1705826412 VCEZNCWVXUUADZ-UHFFFAOYSA-N 432.996 4.975 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2cccc(F)c2[C@@H]1C 1705893597 BGQLRCCPVGHFTF-LPHOPBHVSA-N 441.551 4.799 30 10 IJEE C[C@H]1CCCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cccs2)C1 1708074152 BGRNVZHRUBNBSB-RBUKOAKNSA-N 434.613 4.635 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1ncc(C)s1 1722282139 XEVAEMBMOYADHA-DOTOQJQBSA-N 430.581 4.828 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCc2cccc(Br)c2C1 1722336444 WWHSZDLCFUPAST-UHFFFAOYSA-N 427.390 4.749 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCSc1nccs1 1722408877 WDAHJTHOYCSNLO-UHFFFAOYSA-N 434.594 4.592 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C1CCCCC1)N(C)C 1722416362 LKTCEPJFXWKCFW-QHCPKHFHSA-N 439.673 4.849 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1CCC 1722417854 WFUAAFYSSLBFBL-QFIPXVFZSA-N 425.596 4.619 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCc1scnc1C 1722418009 BBRXWIPLNRCYLZ-UHFFFAOYSA-N 435.528 4.633 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCc1cccs1 1722509196 MEVKKEWNAWXBFY-URXFXBBRSA-N 436.625 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722515201 KAQWWIXDJKDOCS-VTYHHJSWSA-N 426.605 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722588142 LICUOUAGJYQJSO-OAQYLSRUSA-N 436.579 4.858 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(CC(C)C)CC1 1722608533 GUKPMUZNBNRJTN-IBGZPJMESA-N 432.012 4.816 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[C@H]2CCCCO2)c1 1724547091 AKBYZWYPPMFBKW-PXDATVDWSA-N 437.588 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H](OCC)C(C)C 1740540866 NFPLOSBZKMIBIN-PXNSSMCTSA-N 447.421 4.925 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(CCC(C)(C)C)CC1 1740572323 IDXWVUKCFNAWFC-UHFFFAOYSA-N 444.627 4.855 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](CC)C1 1740574042 COJCNDDPYHURKY-RTWAWAEBSA-N 443.636 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1cccs1 1740678798 ISJRNKZMHQRKHV-XMMPIXPASA-N 440.588 4.615 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740740948 AJMXUSWCTLQSKM-UHFFFAOYSA-N 440.336 4.598 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCCN(C)C(C)C 1740769848 WRBWVDBHJFTKJZ-UHFFFAOYSA-N 434.426 4.840 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1 1740788277 QXVYJYGWNCSVGR-RXVVDRJESA-N 448.608 4.728 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC=C(C(C)(C)C)CC1 1740805048 IDHXBGJSXZZBRM-UHFFFAOYSA-N 446.979 4.906 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1740826943 CURMSRAHQURFLJ-DEOSSOPVSA-N 447.583 4.595 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1740843556 KWPVVKKGCQTSBZ-UHFFFAOYSA-N 437.632 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(Cl)s1 1740928451 IBJHPKHNUPZBPM-UHFFFAOYSA-N 430.961 4.904 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCCSc2nccs2)C1 1740977031 BWWQFGLECHUWSL-MRXNPFEDSA-N 445.589 4.504 30 10 IJEE C[C@@H]1CCC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCOCC2)C1 1743029518 HXXCVJFBWNKZJV-CTNGQTDRSA-N 437.588 4.560 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1748701664 NPZZERULGRGTLJ-GGAORHGYSA-N 430.600 4.871 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1Cc1cccs1 1749102437 MIUJGHMLSQJFDY-DOTOQJQBSA-N 437.407 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccco1 1749136447 NLQAYCJBLXZQIZ-YKSBVNFPSA-N 436.556 4.685 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)C1CCC(C)CC1 1749141068 WRMIVRYDQCJVQU-DRMKDWESSA-N 442.579 4.992 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749181830 GNCKBLPWJXPXDE-IBGZPJMESA-N 439.423 4.987 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)(CC)C1 1749217115 ZBOQVDFLFCFXEJ-OAQYLSRUSA-N 433.394 4.927 30 10 IJEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(CC)o1)c1ccccc1 1749241974 XZDAVXMUKWTNSJ-NRFANRHFSA-N 433.556 4.627 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1749331433 JMWNAHSFXDOUHI-QFIPXVFZSA-N 440.592 4.622 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1749358692 OSTFKXCBRLOJEG-UHFFFAOYSA-N 430.478 4.993 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccs1)c1ccccc1 1749377194 NSGXCTZOPPEINS-NRFANRHFSA-N 449.624 4.614 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccsc2)CC1 1749387290 XSJDWXNGFMDRLN-UHFFFAOYSA-N 436.585 4.727 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1749466197 LYCFKZGPJGUIAI-ZCNNSNEGSA-N 429.584 4.547 30 10 IJEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H](c1ccco1)N1CCCCC1 1749499843 PHYPYNAYRKMWLX-QFIPXVFZSA-N 435.572 4.608 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1)C1CC1 1749520902 DGNHFENPIRFGMY-DFBJGRDBSA-N 425.596 4.673 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1c(C)nn(C)c1C)C1CC1 1749525516 PNRADMYQOLEWDQ-UHFFFAOYSA-N 448.615 4.842 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1Cc1cc(C(C)(C)C)no1 1749592100 BZWWGBNDAARPFC-UHFFFAOYSA-N 435.528 4.664 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1c(C)coc1C 1749594407 LUILYUQQCUXWNZ-UHFFFAOYSA-N 430.936 4.504 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1749754828 AHDKMKPKCIGKBI-NRFANRHFSA-N 428.646 4.926 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1CCC(F)(F)CC1 1760101953 XEPJNWHLCDTDFV-CQSZACIVSA-N 437.332 4.991 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(CN(C)CC)c1 1760173079 JBCHSXJVUHJJNX-IBGZPJMESA-N 447.652 4.701 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1760219592 IOZYJPMWNPKZRS-UHFFFAOYSA-N 449.599 4.725 30 10 IJEE C#CCSCCn1c(-c2ccccn2)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1760278242 ODTQGLWRQSKGHW-UHFFFAOYSA-N 449.605 4.876 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1760335645 PELYURRRHLZADI-GCJKJVERSA-N 426.561 4.702 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(N(CC)CC)nc2)CC1 1760391101 SIPANCJRCVBUQA-UHFFFAOYSA-N 430.600 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 1760408854 UNTCQNVWZAWFDE-QFIPXVFZSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760409459 VRQKPIQJUBQLDB-HXOBKFHXSA-N 430.980 4.585 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760433847 WROYRQCMURUHLM-QHCPKHFHSA-N 445.615 4.520 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(OCC2CC2)CC1 1760435008 UTGWHRTWIVTRPI-UHFFFAOYSA-N 430.980 4.969 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)CC[C@@H]1C 1760438034 WZWGRLRTPWPQPT-OALUTQOASA-N 434.588 4.656 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCc2sccc2C1 1760448033 VZFVBXUTIALFPY-UHFFFAOYSA-N 429.977 4.601 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1CCc1ccccn1 1760485142 SUAQKRXLNUNCON-UHFFFAOYSA-N 448.571 4.603 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCOC1 1760486836 AZFBYKNPSBOZET-IBGZPJMESA-N 438.597 4.558 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc2ccccc2s1 1760489680 YNWMHBHHTUIYGG-DEOSSOPVSA-N 438.597 4.760 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1csc(C)c1 1760503762 DUFIJQLEFRRNOP-UHFFFAOYSA-N 432.977 4.664 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760532148 LZYLDIMCDIEWIG-HDICACEKSA-N 439.510 4.681 30 10 IJEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)C(=O)OC(C)(C)C 1763846374 HGJAYLFZFBUPIL-GOSISDBHSA-N 440.592 4.556 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)o1 1763929123 HOCAIRZUKVDFFP-KRWDZBQOSA-N 432.572 4.986 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](F)(C#N)C1)OC 1764045371 CKEDUQAFRRECDP-YADARESESA-N 439.535 4.975 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCN2CCC)CC1 1772555036 XGIOSUILQAJMHY-FQEVSTJZSA-N 445.558 4.823 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCOC(C)C)cc1 1862431499 ILQFSANIDLJCRO-OAQYLSRUSA-N 427.928 4.906 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)ccc1O 1862437353 PFDQYDKELVCNDZ-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 1862467584 AQENFRFEWKUTOJ-GOSISDBHSA-N 432.289 4.967 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(CC)cc2)cc1 1862530067 MUMXMZRNHRXILY-XMMPIXPASA-N 426.516 4.985 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 1862539549 YJFAXMLZSNLDNN-HXPMCKFVSA-N 434.319 4.515 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2c(F)cccc2Cl)c1 1862560204 CEFALNVTWSFDDC-FQEVSTJZSA-N 428.891 4.972 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862590419 IHJQHWYIXPOESC-QHCPKHFHSA-N 431.463 4.872 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862665131 ZNLKJCMYJFXKQC-XMMPIXPASA-N 448.563 4.648 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862674270 UXQZGVYPOXLXLE-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2cc(O)c3cc(F)cc(F)c3n2)c1 1866499233 JAFSUDNTQSPYND-UHFFFAOYSA-N 443.409 4.882 30 10 IJEE N#Cc1nnn(Cc2ccccc2Cl)c1NC(=O)c1cccc(Oc2ccccc2)c1 1870109896 ONBGSOGMHNZBDJ-UHFFFAOYSA-N 429.867 4.896 30 10 IJEE CCc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 1870145906 VHQMLCPKNAGYEM-UHFFFAOYSA-N 431.540 4.797 30 10 IJEE CCCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871254430 VYFHRNWCIADJAN-UHFFFAOYSA-N 441.535 4.978 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 1871411868 KZHAIGUGHLIIDM-VRHSPDTKSA-N 433.435 4.857 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc(OCc3nc(O)c4ccccc4n3)c2C)C1=O 1871430428 KNKASFRWXKBDBW-XKZIYDEJSA-N 440.455 4.848 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2cccs2)C3=O)cc1 1871432495 IASJDEWKJFIMIV-UUYOSTAYSA-N 433.485 4.893 30 10 IJEE Cc1c(OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc2c1O/C(=C\c1ccco1)C2=O 1871433904 ICUALTGZKWQHQE-UKWGHVSLSA-N 435.388 4.558 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)o1 1871439270 QFHHOEDTYKLIEO-NHDPSOOVSA-N 435.388 4.560 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1872226477 XSTBIVUVEIMPPC-OAQYLSRUSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872465435 HHBGWQNYHGARAI-LIRRHRJNSA-N 441.018 4.940 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872525440 APVSYEKAEYAWFQ-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCOc1ccccc1OCC(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2F)cs1 1872766878 LIXPZSXZQYPJTI-INIZCTEOSA-N 426.444 4.908 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2cc(F)cc(F)c2)C1=O 1873108286 MPWQUCBAZRQADM-OAQYLSRUSA-N 448.554 4.954 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873160812 BLLVJKUPNHMQIG-UHFFFAOYSA-N 448.563 4.703 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c(OC)c1 1874265124 XALPDBSUQYWQSM-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE CCSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874363085 MMEYRETWINLQJV-LPYMAVHISA-N 429.933 4.928 30 10 IJEE COc1cccc(/C=N/n2c(SCc3cccc(F)c3)nnc2C2CCCC2)c1O 1874454722 MZCABKFRMHNJQZ-ZMOGYAJESA-N 426.517 4.964 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c(OC)c1 1874473415 DBSRHUCAWQVQOD-MFKUBSTISA-N 448.548 4.509 30 10 IJEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(N(C)C)cc1 1874487588 FNEHNDKXTOYVOH-OEAKJJBVSA-N 438.557 4.625 30 10 IJEE CCOC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)o1 1874603217 PRNVKSULFMINOM-KPKJPENVSA-N 436.460 4.949 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)ccc2C)cc(OC)c1OCC(=O)OCC(C)C 1874618020 FTVKGMGFFAOKTI-MDZDMXLPSA-N 426.509 4.795 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3OC)c2)c1 1874694757 SFCQSWSBVRMOCQ-ACCUITESSA-N 448.471 4.593 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccccc3)c(OC)c2)cc1OC 1875098762 OOFMVAVRDRAZEG-ZRDIBKRKSA-N 448.471 4.836 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)cc1Cl 1875174129 BHIRCEQIUZZCPL-SOFGYWHQSA-N 445.855 4.867 30 10 IJEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CCc2c3ccccc3cc3ccccc23)C1 1891879532 SDWVOBGFXMMIGE-NRFANRHFSA-N 436.515 4.657 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 1892792331 DEFCMZXPPARACH-YKSBVNFPSA-N 427.545 4.739 30 10 IJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)CCC1(F)F 1991565912 YOZDOEMMRJAKBH-FOIQADDNSA-N 431.524 4.951 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(Cc2ccccc2)C2(CC2)C1 2042184282 ANKAFJLBSLQRCY-XTEPFMGCSA-N 434.624 4.687 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCN(CCCB2OC(C)(C)C(C)(C)O2)c2ccccc21 2044527230 BUFJXYKGNZUYQQ-SFHVURJKSA-N 430.398 4.987 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H](C)c2cc(Br)cs2)C1 2062969332 MMPDAJNCKZQOQP-GFCCVEGCSA-N 429.380 4.549 30 10 IJEE COc1ccc([C@H](C(C)C)n2nc(C3CCC3)c(C#N)c2I)cc1 2080053182 RVIHBOJXMSJBKY-SFHVURJKSA-N 435.309 4.881 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@]1(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 2081875847 HXYRLSSFRVYAII-GAJHUEQPSA-N 449.523 4.532 30 10 IJEE CC1(C)OB(c2cc(F)ccc2CN(Cc2ccccc2)CC2CCOCC2)OC1(C)C 2095820837 PRUPENYZMUTPFL-UHFFFAOYSA-N 439.380 4.554 30 10 IJEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2124540835 MBFXOUJKCBBONK-UHFFFAOYSA-N 444.381 4.951 30 10 IJEE N#Cc1cc(Br)cc(N[C@H]2CN(Cc3ccccc3)[C@]3(CCCOC3)C2)c1 2156296691 QCWHCTICBVKIAB-FGZHOGPDSA-N 426.358 4.556 30 10 IJEE CCN(Cc1ccc(Br)cc1C#N)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2174566876 ZUOFUNZFEWMPIK-DNVCBOLYSA-N 436.394 4.836 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)C(=O)Nc1ccc(Br)c(C#N)c1 2180994096 VKUXARRWSRXHTG-MRXNPFEDSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCC(CCC#N)CC2)c1 2181046725 RJNLUCXGSVVNHG-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2C#N)CC1 2181106914 BHLPXYWVMJMWEV-BBRMVZONSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 2181137811 TYDXDPPSKOHNED-QGZVFWFLSA-N 430.302 4.525 30 10 IJEE CC1(C)C[C@@](Oc2ccc(C#N)cc2Br)(C(=O)O)[C@H]1OCc1ccccc1 2197254895 ZYBSSXASADLSSF-RXVVDRJESA-N 430.298 4.538 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2235718766 FBCBUWDYKPSWMG-AVRDEDQJSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2235727154 JXQLIAAMDMRXSS-CMKODMSKSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2ccccc2Br)CCC12CCC2 2235739049 FJOORESSGXGABL-PKOBYXMFSA-N 434.374 4.731 30 10 IJEE Cc1cnc(NCc2cccc(Cl)c2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2241123118 YJMKLAOMBRZLSY-UHFFFAOYSA-N 437.574 4.717 30 10 IJEE C=CC[C@@]1(COc2ncnc(Cl)c2Br)CCCN1C(=O)OC(C)(C)C 2259594169 NFEONEQCUVYEJC-KRWDZBQOSA-N 432.746 4.617 30 10 IJEE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2267555270 LNSZIRYGQMKEOC-HDICACEKSA-N 444.381 4.864 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1 2282679940 HDNOZMFLMDFWRP-QHCPKHFHSA-N 449.400 4.504 30 10 IJEE CC(C)(C)OC(=O)N(CC1CCCCC1)C[C@H](O)C#Cc1cccc(Br)c1 2296233478 YAVDKZLNHCKNLW-HXUWFJFHSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H]([C@@H](N)C#Cc2cccc(Br)c2)CC1 2296267747 WSXQGDNWDRWNFY-DJPFJPOOSA-N 439.369 4.551 30 10 IJEE CCc1ccc(N=C2NC(=O)C(=Cc3cc4c(cc3Br)OCO4)S2)cc1 2297556213 RDGWJYUABVTWBY-UHFFFAOYSA-N 431.311 4.632 30 10 IJEE C[C@@H](CCS)CCOCc1cc(I)ccc1Br 2302773037 VBWUEBXXEMPNEG-SNVBAGLBSA-N 429.161 4.916 30 10 IJEE C=CCN(CCC(=O)NCc1sc(Cl)cc1Br)C(=O)OC(C)(C)C 2303771175 TZFHMWPJDLBJFH-UHFFFAOYSA-N 437.787 4.593 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2305322760 ODBZBHPKLBJDAJ-FHAGJXEFSA-N 428.573 4.554 30 10 IJEE CC(C)(C)OC(=O)NC1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2317354238 NHYJMBXCUXBNFE-UHFFFAOYSA-N 430.354 4.552 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2C2CC2)cc1 2320879214 TZQCPUZCAGATAH-UHFFFAOYSA-N 426.929 4.770 30 10 IJEE CCCOc1cccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccc(CC)cc2)c1 2321103636 NWJRMKWJFHHUFK-UHFFFAOYSA-N 437.569 4.551 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2CC(C)(C)C)c1OCc1ccccc1F 2321936847 PCANCGZXXFFVNH-UHFFFAOYSA-N 428.533 4.764 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)OC(=Cc2ccccc2F)C4=O)cc1 2321981787 QGZVRDFGWXSNHX-UHFFFAOYSA-N 445.446 4.581 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OC(=O)c3ccccc3)cc(C)c2C1=O 2322667010 BEEFMBANFVLBHU-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COC(=O)COc1ccc2ccccc2c1C=CC(=O)c1cc(OC)c(Cl)cc1OC 2322868626 JJCPGCKSCXTFCI-UHFFFAOYSA-N 440.879 4.958 30 10 IJEE CCCCCOc1c(OC)cc(C=Nn2c(S)nnc2C(CC)CC)cc1[N+](=O)[O-] 2323485745 DRWDZTJWHLSYRV-UHFFFAOYSA-N 435.550 4.838 30 10 IJEE COc1ccc(C=C2Oc3c(CN4CCc5ccccc5C4)c(O)cc(C)c3C2=O)cc1 2324115759 DAMPICHZZIFQTL-UHFFFAOYSA-N 427.500 4.884 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1cc(OC)ccc1OC 2325522026 LAPYAOQZLFZXRN-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O 2325589715 XHMYOYZTQYMZDE-UHFFFAOYSA-N 444.871 4.878 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3C)n2N=Cc2ccco2)cc1OC 2326725799 FGZJPZNKCPMVFS-UHFFFAOYSA-N 448.548 4.962 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(OC)cc1OC 2327571132 JOFYLHFWEGHSKE-UHFFFAOYSA-N 444.944 4.688 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1N=Cc1ccccn1 2328667340 OLYVTBLNGXUSRU-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329026134 XNDPHSRHOALNHX-LJQANCHMSA-N 443.617 4.566 30 10 IJEE COc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(=O)C(C)C 2330639996 HCRYGTHDBIEDRD-UHFFFAOYSA-N 448.269 4.823 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OC(=O)c1cnccn1 2330879203 WMOYHNFYVOCDGS-UHFFFAOYSA-N 444.487 4.646 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccccc1Cl 2331364188 PLIHKHREUWKJLP-UHFFFAOYSA-N 445.951 4.981 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccc1Cl 2331414531 NLRSLRLCEZRWHR-UHFFFAOYSA-N 441.988 4.520 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C)c(Br)c2F)C1 2353016261 NTCAJOMTZZGPEV-UHFFFAOYSA-N 427.314 4.696 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(Cc3ccc(Br)cc3C#N)C[C@H]21 2361312443 SCQMXHSVZQFUFX-DNVCBOLYSA-N 434.378 4.542 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCCCC 14649383 FRCBMKOPCOZPAZ-UHFFFAOYSA-N 431.330 4.796 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)c1 14783852 CBMRQSWFEWXNDH-UHFFFAOYSA-N 449.370 4.928 30 10 IJEE C=CCc1ccccc1OCCn1c([C@@H](C)NC(=O)c2ccncc2)nc2ccccc21 40183543 OFWWYKWEFXDBLH-LJQANCHMSA-N 426.520 4.730 30 10 IJEE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/N=C\c2cccs2)N1Cc1ccco1 47138066 ZCOLXRQOLVETJK-SNKPKTNMSA-N 438.490 4.756 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc(OC)c1OC 65064290 RUNRBTNLDTUDFF-UHFFFAOYSA-N 436.556 4.811 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3cc(C)cc(C)c3)sc2c1 101219734 VKIHZQDKKZPDIK-UHFFFAOYSA-N 441.578 4.528 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(F)c2)c1 169928912 QJWQEHXUUJRGGH-OAQYLSRUSA-N 448.406 4.525 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccncc2)cc1 170019800 XWHVVDTYKOQUDY-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccco2)c1 170098182 OOLFYWGFZKTCSX-LJQANCHMSA-N 432.457 4.681 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccccc1OC 170125854 QXFKIXJRMZXLIE-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1)c1cc2cc(Cl)ccc2o1 170178785 ZJJQBZMLMGMLAE-NRFANRHFSA-N 445.862 4.655 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1cccnc1 170191050 CDPAJDWJGHAPME-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 170242190 FMHNJCIRWLUMCH-QFIPXVFZSA-N 437.467 4.508 30 10 IJEE N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 197708247 CUOBMDWOQSDJGA-AWEZNQCLSA-N 428.813 4.770 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 438602498 CQSDGFIFCKRZAD-UHFFFAOYSA-N 430.335 4.798 30 10 IJEE C=CCn1c(SCC(=O)N(C)Cc2ccc[nH]2)nnc1-c1ccc(Cl)cc1Cl 474754856 JNELKWHRMLRIAF-UHFFFAOYSA-N 436.368 4.517 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NC2CC(c3ccccc3)C2)cc1Cl 484184760 DICDQWZQKLSLHX-IRSIHTCSSA-N 443.934 4.996 30 10 IJEE N#Cc1ccsc1C(=O)Nc1ccccc1C1CCN(C(=O)c2sccc2C#N)CC1 487484379 CTRZIEDWUIVBDO-UHFFFAOYSA-N 446.557 4.825 30 10 IJEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(OCC2CCCC2)CC1 508460636 DNYIPCCEKFOKTK-UHFFFAOYSA-N 435.616 4.593 30 10 IJEE N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 521115995 MLHMPGLSBRHZKM-HXUWFJFHSA-N 448.498 4.703 30 10 IJEE CC(C)Oc1ccc(/C=N\n2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 526828303 FVNKSWPGIQWEEH-YVNNLAQVSA-N 431.905 4.801 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC(c2cnn(CC)c2)CC1 549332003 UUFBOEAMERNHQA-UHFFFAOYSA-N 434.588 4.596 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCO[C@@H](C2CCCCC2)C1 559011402 XIOTUMHMBSPELC-VXNXHJTFSA-N 436.600 4.885 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c(F)c1 609240084 UTMAAWANBKQHJZ-UHFFFAOYSA-N 445.317 4.829 30 10 IJEE C[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(F)ccc1C#N 687753611 UTZHQOPDCUOIAO-AREMUKBSSA-N 444.462 4.926 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CCC2(CC1)OCCO2 698498893 VVIPWIVZDVLKKI-UHFFFAOYSA-N 437.334 4.770 30 10 IJEE C=CCC1([C@@H](O)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 722962776 VDLOBHLAMDPBRH-INIZCTEOSA-N 430.770 4.819 30 10 IJEE CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2oc3ccccc3c2C)C1=O 734295324 DTSDQEVMDVLIOX-ZPGIOUQYSA-N 441.578 4.500 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(C[C@@H](C)c2ccc(C)cc2)C1=O 737414249 GVGMKTLHRQNEEP-DNVCBOLYSA-N 429.973 4.520 30 10 IJEE C#CCN(C(=O)c1csc(C(F)(F)F)n1)[C@H]1CCOc2ccc(Br)cc21 793501178 YJFTWHDSENJGNA-ZDUSSCGKSA-N 445.260 4.524 30 10 IJEE CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NCC2(CC#N)CC2)c1=S 797564716 FHBRNWCYPDXIPI-UHFFFAOYSA-N 431.993 4.735 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](c2cc(C)cc(C)c2)C1 800774014 PKAWPFFOPHVVJP-QFIPXVFZSA-N 445.567 4.501 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ncc(-c2ccccc2Br)o1 803520372 RRSWRDVOWPROCU-SFHVURJKSA-N 437.337 4.788 30 10 IJEE Nn1c(NN=Cc2c[nH]c3ccccc23)nnc1SCc1ccc(Cl)c(Cl)c1 1083923954 CUARSTRURUMECF-UHFFFAOYSA-N 432.340 4.518 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 1128494910 GVCNLTOJEDHYBE-LJQANCHMSA-N 440.519 4.872 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c(OC)c1 1128748734 LZLUEOQOZOUNQD-UHFFFAOYSA-N 433.892 4.752 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Br)cc1 1129730182 DTUJOLPTQKOLOJ-LJQANCHMSA-N 440.337 4.523 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)cc1OC 1134187185 NTMBDDAQQNBLMM-QKIKOGAMSA-N 441.499 4.612 30 10 IJEE O=C(c1ccc(F)cc1C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 1135791281 HXQUFHRWCJMNBL-UHFFFAOYSA-N 434.355 4.821 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1143475085 YXFPPMHMLHZHTQ-RTBURBONSA-N 440.943 4.629 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 1148991717 MATYSXPGQRTIHX-KSZLIROESA-N 445.387 4.550 30 10 IJEE C=CCC1(O)CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Br)cc23)C1 1154874011 RQDZCBUOESXKEY-UHFFFAOYSA-N 439.353 4.679 30 10 IJEE CCc1noc(CCCC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)n1 1161505548 GNYYLLASENQETM-UHFFFAOYSA-N 427.320 4.883 30 10 IJEE C=CCN1CC[C@H](N(C)[C@@H](c2ccc(Cl)cc2)c2ccc(Br)cc2)C1=O 1167607889 DQWDZIZYNRDTBB-VQTJNVASSA-N 433.777 4.911 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1)c1ccc(F)c(F)c1 1189410357 BCCONELGXRZBGX-SFHVURJKSA-N 429.847 4.727 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCCc1c[nH]c2cccc(Br)c12 1229569767 OMXJTWHGADENOT-UHFFFAOYSA-N 442.357 4.879 30 10 IJEE C#CCN(C(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C)[C@H]1CCCc2ccccc21 1230711977 DYTOFWRXOHGTCM-FTJBHMTQSA-N 426.564 4.964 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 1251830480 GVXVCQNEPKGLQK-TVZXLZGTSA-N 435.612 4.625 30 10 IJEE C#C[C@@H](NC(=O)c1nc2ccccc2cc1Br)c1ccc(Br)cc1 1275474772 REXZVINDZYGWSW-MRXNPFEDSA-N 444.126 4.864 30 10 IJEE C=CCC(F)(F)C(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21 1280309865 ISBRTOGSHSIUEQ-UHFFFAOYSA-N 440.490 4.915 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1286334426 VUUDTQNIDSRYNR-UHFFFAOYSA-N 441.019 4.956 30 10 IJEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C)Cc1cccs1 1286364593 FTYBAYVVRDHKEU-CQSZACIVSA-N 447.377 4.856 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1286546390 IWYIEQPLJRRMQZ-QTJGBDASSA-N 443.680 4.864 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1Cc1ccccc1Cn1cccn1 1286580253 ZLWGBNJHQVWXGF-UHFFFAOYSA-N 432.597 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCC(C)CC1 1286583731 QWHBGIIIBVVPFT-BHDDXSALSA-N 431.669 4.720 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCC(C)CC1 1286583732 QWHBGIIIBVVPFT-YPAWHYETSA-N 431.669 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(OC)c(O)c1 1286674670 UECQPZUGVVQTOK-UHFFFAOYSA-N 426.586 4.883 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(O)c1 1286681524 OFCKYXSOKDOHPI-UHFFFAOYSA-N 444.377 4.972 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1286682305 JPZOVEPAGUCYQP-UHFFFAOYSA-N 434.563 4.725 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCCO1 1286690858 XASQRNXYMUBJCK-PMACEKPBSA-N 447.624 4.712 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286694072 KCUUEZPRPGVUOW-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1CCc1cccnc1 1286746911 BECBVQHBRKYBMN-UHFFFAOYSA-N 431.565 4.846 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c1 1290334704 LMGNNBCIFAWDKJ-UHFFFAOYSA-N 430.529 4.864 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)c1ccc(Cl)cc1F 1297713935 XJCSIOJXCVZIBZ-KRWDZBQOSA-N 448.947 4.938 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1cnc(C)s1 1300393077 BOQBXQXWPCOAFY-OAHLLOKOSA-N 425.627 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1300780217 MOKUXIUULNFYQC-LHSJRXKWSA-N 431.371 4.787 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(OC)C1 1300872756 CWVUUGANPUIGML-GRWTVWFQSA-N 448.970 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1300912386 ABAMZDBJDKUSOY-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1300918032 RVSVCNHQNBPBAY-GOSISDBHSA-N 445.583 4.666 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1301078563 RPBBILYPZXZPBF-QHCPKHFHSA-N 433.556 4.671 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1301088824 HFYCEEHYCXSKIM-OAQYLSRUSA-N 443.636 4.814 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCCN2CC)CC1 1301095705 MPPGXAPCHUSZCJ-JOCHJYFZSA-N 437.632 4.795 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(N(C)C)CCCC1 1301280509 OANMWKJOCFLUNC-UHFFFAOYSA-N 432.410 4.513 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCc1ccnc(C(C)(C)C)n1 1301305170 QUYMKVWMSNSUEO-UHFFFAOYSA-N 448.615 4.816 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(Cl)=C(Cl)C1 1301597692 XBYQYDMTWCJUTD-UHFFFAOYSA-N 425.385 4.772 30 10 IJEE C=CCC[C@H](NS(=O)(=O)Cc1cccc(C(=O)OC)c1)c1ccc(C(F)(F)F)cc1 1309334723 NTFNXZUVZJVOMQ-IBGZPJMESA-N 441.471 4.619 30 10 IJEE Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1 1310800082 IDHRXIIDUYXCSJ-JOCHJYFZSA-N 448.548 4.962 30 10 IJEE C=CCCSCCNC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1312978339 XBVOOTAKUUMKTH-OALUTQOASA-N 425.639 4.507 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@H](C)c2cccc(F)c2)c(C(=O)OCC)c1C 1349733784 JBXLMWALHJFXEG-ZDUSSCGKSA-N 433.501 4.847 30 10 IJEE C=CCC(CC=C)C(=O)NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 1353674515 PASPPVZUJYPXIU-FOWTUZBSSA-N 439.364 4.914 30 10 IJEE C=CCC(CC=C)C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 1358107587 ZUMZSRGJYYOPIA-UHFFFAOYSA-N 431.296 4.885 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(-c2ccccc2)cc1Cl 1358211043 GLGLLNRVHZZONZ-UHFFFAOYSA-N 434.923 4.933 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@]1(C)C#C 1358907214 HTTXKQRYEFRSRO-JOCHJYFZSA-N 425.374 4.812 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1358939336 UXVWYGAFADAXNA-WAOWUJCRSA-N 442.579 4.856 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCOC(C)(C)C 1359067252 GRGIJGFSASOXLH-RUZDIDTESA-N 440.588 4.548 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1359117476 CEMFETHWSCFPEY-QGZVFWFLSA-N 446.979 4.770 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2ccnn2C)CC1 1359208728 SBXRRTFJVIZEPN-GOSISDBHSA-N 438.551 4.641 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCCc1nc(C)no1 1359260668 LBKCOALPYTVHPT-UHFFFAOYSA-N 426.540 4.523 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H](OC)C(C)(C)C 1359264663 LPKZDHHFQIQFHC-IBGZPJMESA-N 445.658 4.949 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1359284734 JNCBZXIJVRNNRR-MRXNPFEDSA-N 437.569 4.905 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N(C)OC1CCCC1 1359311154 RXVLDHMDKIHIHB-UHFFFAOYSA-N 439.585 4.557 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(C)CCCS2)C1 1359313941 UBJQWGFROVAQTJ-PMAPCBKXSA-N 446.592 4.624 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1359340825 BCZQPYBPSWAEST-UHFFFAOYSA-N 448.640 4.804 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 1359935354 GFNFCMBKYOXPSC-ZZLBYYGFSA-N 444.572 4.521 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1435899867 LFOVTHZRAUTZCS-LAUBAEHRSA-N 444.369 4.742 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ncc3[nH]ccc3c2Br)cc1OC 1437264030 QNCHCHVDPGLQEV-FNORWQNLSA-N 428.286 4.551 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(O)cc(Br)c1 1442971502 DNXVJDZNZMEQGL-UHFFFAOYSA-N 443.110 4.885 30 10 IJEE C=CC1(CC(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)CN(C(=O)OC(C)(C)C)C1 1443655757 QMLVFWPVYQGOCD-SFHVURJKSA-N 439.556 4.733 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 1456891030 AEYUZHONYTXWCH-WVDZOPJMSA-N 437.348 4.586 30 10 IJEE C=CCc1ccc(OCC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(OC)c1 1457772517 GWCGSDRMBFAIQC-QGZVFWFLSA-N 436.335 4.789 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(Cl)ccc2I)cc1 1460312991 QXODDQTZWZNVRL-UHFFFAOYSA-N 425.653 4.599 30 10 IJEE C=CC(C)(C)CCNC(=O)Nc1cc(Br)ccc1I 1465372108 BHRBIFBTXNEQGV-UHFFFAOYSA-N 437.119 4.778 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 1465676187 DEQVZJRFECVIGF-GUYCJALGSA-N 425.356 4.746 30 10 IJEE CC(C)c1nc(CCNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cs1 1466515664 DPGTWSHDTLEEDF-UHFFFAOYSA-N 436.585 4.986 30 10 IJEE CN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O 1466607754 DCYQHWOIVJOBCB-LJQANCHMSA-N 440.931 4.658 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 1468480009 WLLSLGKJWGAFCB-IBGZPJMESA-N 425.529 4.734 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(CCCN(CC)CC)CC1)c1ccc(Br)cc1 1470663297 MXONKRHDJIWZCE-OAQYLSRUSA-N 434.422 4.667 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1477740754 SRBLFZKSUPYJQA-CQSZACIVSA-N 444.400 4.902 30 10 IJEE C#CC[C@@H](COC)NC(=O)N(C)Cc1cc(C)c(OCc2ccccc2Cl)c(C)c1 1479060897 PWEDLRNWNPRUAF-NRFANRHFSA-N 428.960 4.716 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1479587529 ZKSKUKNQNIJCLX-BDTNDASRSA-N 427.589 4.605 30 10 IJEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N(CC(C)C)C(C)C)n1 1492531418 CVYVLMOGLXHRGC-UHFFFAOYSA-N 432.572 4.546 30 10 IJEE CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)C1 1505206402 GJYKENLDJNFIBM-YADHBBJMSA-N 439.629 4.888 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1507563426 VRQPUHCPQIWSAF-IBGZPJMESA-N 440.588 4.550 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1507566265 ILLFXNLMIZZORT-UHFFFAOYSA-N 431.968 4.866 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@@H](C)Cc1ccc(OC)c(OC)c1 1507768854 YSSCGVRWBVQMGJ-AFMDSPMNSA-N 436.600 4.824 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1507775668 SZXNYTMREGWHKK-XLIONFOSSA-N 447.421 4.928 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CCC 1507864750 FWILFUVLSFCNHY-DLBZAZTESA-N 426.005 4.770 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1cc(C(C)(C)C)no1 1507976769 HOPPVGYVIROYPS-UHFFFAOYSA-N 430.350 4.664 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)CCCC1)C1CC1 1507989936 BHMKKUWBEDSHLQ-UHFFFAOYSA-N 427.980 4.597 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCC[C@@H]2C)C1 1508116141 IFZNVKHMCMZDFM-IATMXGELSA-N 438.616 4.575 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCOC(C)(C)C 1509093562 AEUVOFYCJYAMCC-FGZHOGPDSA-N 439.604 4.519 30 10 IJEE C[C@@H](NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1515234562 FKAMQKIZYCELRL-NIYFSFCBSA-N 443.522 4.615 30 10 IJEE C=CC[C@@]1(C(=O)Oc2ccc(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1521194712 ADQABYWQRMBMIQ-IBGZPJMESA-N 428.298 4.839 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)cc1 1521311596 LTAJGAAOAPEVPB-UHFFFAOYSA-N 427.566 4.680 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(N2CCSCC2)CCCCC1 1521525593 IGSJVNSOLJYQQF-UHFFFAOYSA-N 442.547 4.752 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC)c1ccccc1 1522819841 ZFXRGXVXPIYXQH-FQEVSTJZSA-N 444.597 4.851 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1523895715 NQXYTLAWAYBCOB-RTBURBONSA-N 426.582 4.724 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](Oc1ccc(Br)cc1F)c1ccccc1 1524835229 LBTXCNCKZCJVKQ-ORYQWCPZSA-N 448.332 4.806 30 10 IJEE COc1ccc(Br)cc1-c1nc(C(=O)Nc2cccc(OCC#N)c2)cs1 1525565686 BQTDTMRBCGSNFC-UHFFFAOYSA-N 444.310 4.736 30 10 IJEE C#CCN(C(=O)CSc1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1529626178 AFEXLRYAKYONEQ-GOSISDBHSA-N 434.330 4.666 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)cc1OC 1533062278 BANMNIGIKMMHDI-VQHVLOKHSA-N 440.565 4.587 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 1536128118 CJRRFTWIVUHLLF-UHFFFAOYSA-N 426.476 4.964 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccc2ccccc2c1 1536230841 GCYYMZPFSJFRHR-QFIPXVFZSA-N 433.483 4.846 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C(C)C)C(C)C 1538984619 MHCBDXWMLRWSDM-LJQANCHMSA-N 427.662 4.852 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(O)(CCC)CCC 1539153443 DFXJAWBNWOELBG-UHFFFAOYSA-N 433.600 4.753 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C1(c2cc(Br)ccc2OC)CC1)c1ccccc1 1539186935 SGHWLNYMIRVBGI-SANMLTNESA-N 434.355 4.729 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1CC(F)(F)C1 1539295502 BKGOWNJXEAJNIV-IBGZPJMESA-N 426.511 4.543 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1539690829 PDFJVAFKRDMMFA-SFHVURJKSA-N 431.968 4.620 30 10 IJEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 1539843909 GLTWQKQWNBSQJA-SFHVURJKSA-N 435.293 4.790 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2cccs2)N(C)C)CC1 1539881907 OHPCYSXERPSGJE-FQEVSTJZSA-N 437.613 4.721 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1539960446 AOVYESWNJUWITK-WOJBJXKFSA-N 448.615 4.904 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nc(C2CC2)cs1 1540058911 ILDNJYDMDMGRQN-UHFFFAOYSA-N 439.585 4.745 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCc1sccc1C 1540196211 UJOIUJGJKRMZSL-UHFFFAOYSA-N 435.597 4.688 30 10 IJEE C=CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](c2ccco2)C1 1540920259 SQJQAPUNNFSWEL-HXUWFJFHSA-N 438.597 4.980 30 10 IJEE COc1ccc(C)cc1N1C[C@H](C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)CC1=O 1544382793 COPJERIZINOUTK-ARFHVFGLSA-N 437.565 4.614 30 10 IJEE CS[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1555856876 GYTJMHYGJMVRNI-CVDCTZTESA-N 429.609 4.673 30 10 IJEE C#CCN(CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)Cc1ccccc1 1559820513 KRLDXJGTOGDUQP-UHFFFAOYSA-N 434.543 4.922 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(CN(C[C@H]3CCCCO3)C(C)C)cc2)cc1 1562559563 TXJBFXPMHUNMSL-AREMUKBSSA-N 449.595 4.800 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2sccc2NC(=O)Cc2ccc(Br)cc2)C1 1570661701 GPOMNFQRXKEKAG-INIZCTEOSA-N 445.382 4.567 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 1583066795 GDLUHGHPZLZFFK-MRXNPFEDSA-N 433.940 4.570 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1583437407 RSJBJDOFELPJLZ-LJQANCHMSA-N 426.992 4.532 30 10 IJEE N#Cc1cc2ccccc2cc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1583716733 FHRPQWBLOAYMLQ-IBGZPJMESA-N 437.421 4.717 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1584398585 QVZYUJNNFKIESS-JPYJTQIMSA-N 442.581 4.669 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1sc(C)nc1C 1587580733 RQKFNKOEJLCEEB-LSDHHAIUSA-N 439.654 4.905 30 10 IJEE C#CCN(C)c1nnc(-c2ccccc2F)n1Cc1c(C)sc(C)c1Br 1587965367 AYTIEFMSURDWHN-UHFFFAOYSA-N 433.350 4.643 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H](OC)C(C)(C)C 1588560097 MSAPVGBRCIMGDR-OAQYLSRUSA-N 440.588 4.770 30 10 IJEE C#CCSCCn1c([C@H](C)CC)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1588976036 PUSRYMRFLFHQIQ-HJNYFJLDSA-N 426.630 4.762 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@](C)(CC)C1 1589027641 PPSWLGZRXKNWPO-FQEVSTJZSA-N 439.412 4.624 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)c1nccs1 1589150827 LXSQAFRSYJCNLH-SAHWJRBASA-N 439.560 4.810 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1589427261 FVTWGFXFABLBML-HZPDHXFCSA-N 436.423 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCCCC2)nc1 1589636739 FKZFOPMEOXMLHB-UHFFFAOYSA-N 446.599 4.790 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2)CC1 1593817442 CBCHVXLRZAMNMC-GOSISDBHSA-N 447.986 4.764 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C2CC2)C1 1594460896 GDRXSWDFOSYMQI-SFHVURJKSA-N 440.588 4.810 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1595200313 AIIZMECSUGUBFZ-LADGPHEKSA-N 431.584 4.938 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CC2(C)C)C1 1595744567 MUTMEANQMXAPJZ-IRLDBZIGSA-N 438.616 4.982 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O)c1ccc(C(F)(F)F)cc1 1597057502 HUTSYXRVXACPAC-QRWLVFNGSA-N 444.453 4.822 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[C@H](O)C2)C1 1611764971 BURUGYDQQJUUMN-GIMINZRKSA-N 448.398 4.933 30 10 IJEE CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1CSC)N(C)C 1613507262 AORUFWLQXYVCQT-YADHBBJMSA-N 440.661 4.515 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNC(=O)c1ccccc1)c1ccc(C)c(C)c1 1616627699 XEPUNPPRYUHOSX-UHFFFAOYSA-N 428.532 4.831 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)c1ccccc1 1618590109 UTHXBUDICLDIAD-HKBQPEDESA-N 430.533 4.797 30 10 IJEE C=CCOc1ccc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1OC 1620720024 WLEBNGMJBBZCMX-HXUWFJFHSA-N 448.485 4.732 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)Cc1c(Br)c(C)nn1C 1621115095 CVRMYEKVQZKMAD-UHFFFAOYSA-N 431.147 4.581 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 1622251671 ATQBQZMVSHAGLO-HXUWFJFHSA-N 430.957 4.746 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 1623169409 UXHIMDBXNNDIAG-DEOSSOPVSA-N 448.494 4.614 30 10 IJEE Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1Cl 1627435917 GBEGOQTULVTIEP-UHFFFAOYSA-N 447.988 4.851 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 1630484975 XIKGLAKGPQVCRM-PBHICJAKSA-N 448.951 4.512 30 10 IJEE C#CCN(C(=O)NCc1cccc(OCC)c1OC(F)F)[C@@H]1CCCc2ccccc21 1633139490 XNDSDWAWZZKGDG-HXUWFJFHSA-N 428.479 4.909 30 10 IJEE C=CCn1c(SCc2cccc(CN3CCOCC3)c2)nnc1-c1ccc(Cl)cc1 1640638528 ZFSRUMWSWCYXPJ-UHFFFAOYSA-N 441.000 4.909 30 10 IJEE CCOC(=O)c1c(NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)sc2c1CC[C@H](C)C2 1643522851 GJATYBBAYOZRCY-HOTGVXAUSA-N 439.581 4.553 30 10 IJEE Cc1ccccc1-n1nc(C)c(CN(C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1C 1652346944 DYXGUNABAKGTQA-OAQYLSRUSA-N 447.558 4.704 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)CCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652348949 HLLDGZVKRKTAHT-SOUVJXGZSA-N 433.643 4.554 30 10 IJEE COc1cccc([C@H]2[C@H](c3ccccc3)CCN2S(=O)(=O)c2cccc(F)c2C#N)c1 1654735541 CUIRMOLQAHPIDZ-RDPSFJRHSA-N 436.508 4.625 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)CCCC1 1660840703 LQSABMNBMDUARV-UHFFFAOYSA-N 447.535 4.620 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCC[C@@](C)(CC)C1OCCO1 1662573391 IWGOKIGEXHZWQE-HXUWFJFHSA-N 441.366 4.705 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(OC)cc2OC)cc1 1675090096 HKZZAKJZGZYKBF-QHCPKHFHSA-N 435.455 4.634 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1679565059 PYXOABOMDBCMRT-HXUWFJFHSA-N 448.350 4.818 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCN(Cc2ccccc2OCC)C[C@@H]1C)c1ccc(F)c(F)c1 1680281439 ZCTJLIRHMVRQSC-UUOWRZLLSA-N 443.538 4.897 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1 1682356946 PLWASOPKDCPLCX-FXAWDEMLSA-N 442.313 4.621 30 10 IJEE C[C@@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1cccc(C#N)c1 1685180097 GXXKOBTXJGZRJE-CQSZACIVSA-N 436.865 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1690048340 IGOHMDMAWXBCFE-NFBKMPQASA-N 439.003 4.581 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1scnc1C 1690157948 SYYGXQSKXYZYRI-UHFFFAOYSA-N 448.621 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=C)Br 1690193945 WHPWMRCVOLMUOU-MGPUTAFESA-N 449.780 4.972 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCOc1ccc(F)cc1 1690245986 PSGAGGRLHONNNH-DENIHFKCSA-N 428.552 4.571 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 1690247377 ABINPEJHQQJHTI-URXFXBBRSA-N 438.616 4.938 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCC1CCOCC1 1690257543 MRBVWMFSPNYXPG-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCCC(C)(C)C1 1690271499 QZGGYEKROYXSAR-UHFFFAOYSA-N 439.648 4.998 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCc1ccccc1 1690297873 KEDFHHFDHGLUSF-NRFANRHFSA-N 439.604 4.995 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](COCC)C1 1690328261 IEEBNWCONRGBEC-CVEARBPZSA-N 425.360 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2csc(CC)n2)CC1 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C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCC(C)C)C1 1705921895 BATIEUPLJQGXJA-JOCHJYFZSA-N 447.583 4.513 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1706074660 BYFPNYNIQWAIDN-JTHBVZDNSA-N 434.632 4.834 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccc(Br)o1 1722335677 CUFGBKBZILAJQD-UHFFFAOYSA-N 447.764 4.928 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C2CCC1(C)CC2 1722451763 NSKKWMXJGDNDSS-FVYSKSNYSA-N 431.005 4.959 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCCCC1 1722469369 AMWAMDGLZXHLCQ-OAQYLSRUSA-N 433.383 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1sc(C)nc1C 1722474754 JPPZSJLZAUYESC-HSZRJFAPSA-N 437.638 4.993 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C)s1 1722487121 KGPMTUXBVGBHON-UHFFFAOYSA-N 438.420 4.549 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1ccccn1 1722492712 UCWCRXCJAFPELU-JRFVFWCSSA-N 431.584 4.833 30 10 IJEE 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C=C(C)Cc1c(C)nn(CCC(=O)NCCn2ccc3cc(Br)ccc32)c1C 1860304604 TXFYKNJUMMYBJJ-UHFFFAOYSA-N 443.389 4.542 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CC)NC(=O)/C=C/c1ccc(OC)cc1OC 1861561357 PPEHONVRZJCSBS-XEPMYJLFSA-N 432.605 4.869 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCN(CC)CC)cc1 1862431855 PWAHHGRBAABWDX-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862476466 AOZKEEMHEBRLAB-HSZRJFAPSA-N 432.520 4.870 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@H]2c2ccc(N(CC)CC)cc2)cc1 1862521585 LUFCSYUSWKOAQF-QHCPKHFHSA-N 436.552 4.920 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1)c1cccc(O)c1 1862588306 MTJUBYQSAPMYGW-DEOSSOPVSA-N 438.483 4.695 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862591643 LHSVLPCSAZNMED-XMMPIXPASA-N 443.499 4.612 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCC2=CCCCC2)cc1O 1862594084 PIGFGOZGZINFBB-HSZRJFAPSA-N 449.503 4.575 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2C)cc1 1862688615 ZYKCWAJZDAJSCH-XMMPIXPASA-N 443.499 4.661 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862688694 YXBVLQVPHFAZEI-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862980766 GABHLGLVKNEPMM-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cccs3)C2=O)cc1 1863105740 DDWBKPVXEOJOAX-UHFFFAOYSA-N 429.501 4.804 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3F)C2=O)cc1C 1863260226 GPSOUENQOADQQZ-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE C=CCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2ccc(Cl)cc2)C1=O 1863533443 DAEPWCJGDUXONI-UHFFFAOYSA-N 428.919 4.985 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)/C=C/c2cccc(Cl)c2)n(-c2ccc(OC)cc2)n1 1870001754 ROWUPWRGUGCTGL-NTEUORMPSA-N 449.942 4.760 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2Cc2ccccc2C)c2ccccc2)cc1 1870106868 XIPDZXOVXCZVFV-JLPGSUDCSA-N 449.514 4.694 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870111170 BNNNTIXVWISWLW-ZIAGYGMSSA-N 446.725 4.900 30 10 IJEE CCCCCCCCn1cc(OCCO)c(=O)cc1CSCc1nc2ccccc2[nH]1 1870239898 YXYAZBSMWNJLQB-UHFFFAOYSA-N 443.613 4.890 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(OC)cc2)cc1=O 1870836716 RLLVBAGLDOJSDH-UHFFFAOYSA-N 438.572 4.784 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1871007129 NVYMOCDCQUVXLG-UHFFFAOYSA-N 443.591 4.984 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(C(=O)OC)o4)c3C)C2=O)cc1 1871438619 IGZSCZBUYKBQPG-XKZIYDEJSA-N 434.444 4.969 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CC1 1871784016 REFCIEKGSHSQJA-GOSISDBHSA-N 433.401 4.717 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872056025 RDWYISIBDQIUIH-ZDUSSCGKSA-N 445.343 4.645 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872402482 BAQJJYOGQUWCPR-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(F)cc1 1872551248 ORQZXJUDNLHJGL-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC)n1/N=C/c1cn(C)c2ccccc12 1874227203 TWTMBODFFADCHU-MFKUBSTISA-N 447.564 4.908 30 10 IJEE Cc1ccccc1CSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874398816 PIVOPOMHCOASAV-WGOQTCKBSA-N 444.560 4.957 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1cccnc1 1874406339 HBSBRLPQXVXTCZ-WGOQTCKBSA-N 448.596 4.717 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2)cc1 1874428405 HUVHFCCSTBRCQO-YZSQISJMSA-N 447.608 4.931 30 10 IJEE CCCCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C(C)(C)C)cc1OC 1874486078 ZQYLZZCGSZAUAS-JJIBRWJFSA-N 448.633 4.900 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2/N=C/c2ccc(Cl)cc2)cc1 1874512023 HSWZEOJLNUHFHB-FSJBWODESA-N 427.961 4.976 30 10 IJEE COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccc(C)cc1 1874692922 DJMGSTGJAXVEIJ-ZRDIBKRKSA-N 431.444 4.956 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(OC(=O)Cc2ccc(Br)cc2)cc1 1874738776 BJQYWXZREFVQPC-UHFFFAOYSA-N 442.353 4.844 30 10 IJEE C=CCN(CC=C)CCC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 1874750379 FBARPTUSQZAAFB-UHFFFAOYSA-N 427.342 4.948 30 10 IJEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)c(OC)c2)cc1 1875139194 WOYYLGPVKVYBSD-VZUCSPMQSA-N 432.476 4.698 30 10 IJEE Cc1ccccc1-c1nc(C)c(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)s1 1890602487 ACNGMLQZTFWKHT-IBGZPJMESA-N 432.549 4.625 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@](C)(O)c1ccc(NC(=O)OC(C)(C)C)cc1 1922073960 JDVMJVVJODOVEQ-DHLKQENFSA-N 426.557 4.602 30 10 IJEE C#CC1(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)CC)CCC1 1985647137 SVLJLWTWSADXQX-KBMIEXCESA-N 444.575 4.860 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 1991565810 XSJFYMOSGMQEFO-HXUWFJFHSA-N 429.508 4.705 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2045250887 XEAOUZBEEUWIHQ-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE Cc1ncc(B2OC(C)(C)C(C)(C)O2)c(N(Cc2ccccc2)[C@H](C)c2cccs2)n1 2052609612 ZUHFQGOTKSNUOG-QGZVFWFLSA-N 435.402 4.914 30 10 IJEE C=CCOc1ccc(C=CC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1OC 2054093868 UQAOFEMIVLRQJH-HXUWFJFHSA-N 437.565 4.760 30 10 IJEE N#C[C@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)N1CCCNCC1 2071260667 KUACRQPVIUPSQK-RUZDIDTESA-N 427.548 4.705 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2076117204 ANQWHASJCSAYPE-VVZHRXSXSA-N 446.632 4.524 30 10 IJEE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(C)(C)C)c(C#N)c1I 2080025927 TYFLWELXUUEMCY-HNNXBMFYSA-N 437.325 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](Nc2cc(Br)ccc2C#N)(C(F)(F)F)C1 2105982452 ZWVYTQBBKDDZDT-MRXNPFEDSA-N 434.256 4.675 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CNc1cc(Br)c(C#N)cc1F 2105998469 PKXTUGVPQVEBBT-BLLLJJGKSA-N 426.330 4.955 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCC 2159128332 QRKXZBVYTKAORN-CVEARBPZSA-N 445.348 4.555 30 10 IJEE Cc1cc(CNC(=O)c2cc(Cl)sc2Cl)sc1B1OC(C)(C)C(C)(C)O1 2202299936 KBXYNQHRJXTEOY-UHFFFAOYSA-N 432.203 4.654 30 10 IJEE C=CCC1(C(=O)Nc2c(C)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2231529542 PLOXBRRDLAKMTD-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2247779650 XMNMIUXQMJRSAM-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C 2261821364 TXGATZQBGYSMIR-RQBNJVACSA-N 447.572 4.655 30 10 IJEE C=C(COCc1ccccc1)[C@](C)(OCCC(=O)O)c1cc(Br)cs1 2261828091 JXZRPZIOHPEJLN-IBGZPJMESA-N 425.344 4.990 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(Nc1ccc(Br)c(C#N)c1)C2 2270329185 XPJUKRDBSRUUTI-HZPDHXFCSA-N 438.391 4.616 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)c1ccc(N(C)C(=O)OC(C)(C)C)nc1 2296225071 QPVJGWCENHKCFM-SFHVURJKSA-N 430.346 4.528 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2ccc(Br)cc2)C[C@H]2CCCC[C@H]21 2296273380 OOFKXKFHIWWGFS-RADWXHQJSA-N 432.358 4.843 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 2296566829 NPMJJBZMVNTQDO-JOCHJYFZSA-N 432.476 4.741 30 10 IJEE CCCCn1c(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c(C#N)c2nc3ccccc3nc21 2297458652 QCTOPSSUQXOHEA-UHFFFAOYSA-N 440.463 4.816 30 10 IJEE CC(=O)Nc1ccc(C=C2SC(=NC(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1 2297460811 IJBPMOOSRXVMAO-UHFFFAOYSA-N 441.512 4.962 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 2305197822 RPROUJPMAIBTOS-MASGSYHESA-N 428.573 4.696 30 10 IJEE C#CCOC(=O)C=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 2314013672 CGBBTJGITZSDLC-UHFFFAOYSA-N 435.701 4.880 30 10 IJEE CC(C)[C@H]1C[C@H](Oc2cc(Br)cnc2C#N)CN1C(=O)OCc1ccccc1 2321357640 PYAXOCUSVVLWPS-PKOBYXMFSA-N 444.329 4.530 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)c4cccc(NC(C)=O)c4)c3C)C2=O)c1 2322969074 SQXCMMJZWAFJKK-UHFFFAOYSA-N 443.455 4.797 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 2323153410 NRHGZTNKRWZUFW-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1cccc(Cl)c1 2323160972 WCTDAWMVYFUOOF-FGZHOGPDSA-N 435.008 4.572 30 10 IJEE COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc(OC(=O)CC(C)C)c2C)C1=O 2323767190 GMSKMUYZOSSTFL-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1OC(=Cc1ccccc1F)C2=O 2323992355 QZCCQAXEONDHIG-UHFFFAOYSA-N 441.499 4.621 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cnc(C)cn3)c2)cc1 2325738828 QHSCJNLDXXRAIK-UHFFFAOYSA-N 432.476 4.698 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)OC)n2N=Cc2ccccc2O)CC1 2328195013 LBPGZUOEVMIEQQ-UHFFFAOYSA-N 430.574 4.595 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2C)n1N=Cc1cccn1C 2328673030 FPHLVKWAGLRZBV-UHFFFAOYSA-N 445.592 4.893 30 10 IJEE COc1cc(C(=O)ON=C(C)CCc2ccccc2)c(Br)c(OC)c1OC 2329926482 HEXUJCYVHRHNLF-UHFFFAOYSA-N 436.302 4.640 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc(O)c(O)c2)cc1 2329943777 ZTAPWOCHUDDWNZ-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)c(OC)c2)c1 2330800544 ZYBUBMPLBVINIC-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCCOc1ccccc1C=Nn1c(CCOC)nnc1SCc1ccccc1F 2331281330 JMRXKLAIKUCBFZ-UHFFFAOYSA-N 428.533 4.569 30 10 IJEE COc1cccc(C=Nn2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)c1 2331385804 KEFXTMNIEBGPDH-UHFFFAOYSA-N 425.514 4.667 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(F)cc1 2331443566 TUCAJAKUOCGVOT-UHFFFAOYSA-N 425.533 4.537 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N=Cc1sccc1C 2331665272 DAWXJJZEEQQIRK-UHFFFAOYSA-N 427.599 4.830 30 10 IJEE CN[C@H](C#C[C@H]1CC1(C)C)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2365095409 FNGYAAIMMHBQCP-QXAKKESOSA-N 435.406 4.522 30 10 IJEE COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N\c2ccccc2)cc1 986856 QGJHTQOPIBQPNI-MCMRFMRISA-N 445.544 4.856 30 10 IJEE CCCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccccc2)c2ccccc2S1(=O)=O 9193977 XFXZQUGCMYJMQT-UHFFFAOYSA-N 447.512 4.509 30 10 IJEE C=CCN1C(=O)COc2cc(NC(=O)CCCOc3ccc(Cl)cc3Cl)ccc21 12081501 OLPAMLVWIHSWEH-UHFFFAOYSA-N 435.307 4.703 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1 14866545 ALRSNOTXXQHQEL-CXUHLZMHSA-N 439.581 4.713 30 10 IJEE C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCC2 23967264 CUFWPFQOXPTIFO-JTQLQIEISA-N 429.958 4.666 30 10 IJEE Cc1ccc(C)c(N2CCN(/C(=N\c3ccccc3)NC(=O)c3ccc(C)c(F)c3)CC2)c1 32946390 NRDHNFGFUKNWIC-UHFFFAOYSA-N 444.554 4.991 30 10 IJEE C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)C(C)(C)NC(C)(C)C4)c1cccs1 33342788 NVZRMHKOAMYBRS-ROTLSHHCSA-N 440.598 4.501 30 10 IJEE C=CCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(Br)cc1 39845856 XTWJKYQAAQYWMY-UHFFFAOYSA-N 437.290 4.674 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)Cc4ccccc4)cc(C)c3C2=O)c(OC)c1 41355785 LJMCARRNTNMOMD-QRVIBDJDSA-N 430.456 4.777 30 10 IJEE C[C@H](NC(=O)CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)c1ccccc1 59015754 ZKSGQWXEEQPHEH-PGCIDKTFSA-N 449.367 4.527 30 10 IJEE C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1ccc(Cl)cc1 59265799 VVNOXIOXKSDVBA-UHFFFAOYSA-N 427.961 4.851 30 10 IJEE C=CCc1cccc2cc(C(=O)Nc3cccc(C4=CN5C=CC=C(C)[C@@H]5N4)c3)c(=O)oc12 101029179 SKBHQWRGQYCUAR-RUZDIDTESA-N 437.499 4.777 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2c2ccc(F)cc2)cc1 169921933 UZQHFYUGKWGGQM-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 170012202 SLKZQANSTDJDOF-NRFANRHFSA-N 436.870 4.695 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@H]1c1ccncc1)c1cccc(Cl)c1 170022726 YXHWVJXWYIOGSS-IBGZPJMESA-N 441.270 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccncc1)c1cccc(Cl)c1 170025023 NAOGJNUQBSVTSC-NRFANRHFSA-N 436.870 4.695 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc3ccccc23)c1 170044806 CQCOLQLLDHHKBJ-GBXCKJPGSA-N 443.499 4.606 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc3ccccc23)c1 170044810 CQCOLQLLDHHKBJ-HYBUGGRVSA-N 443.499 4.606 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 170057243 JXISAXPAVFNJED-JOCHJYFZSA-N 427.928 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1c[nH]c2ccccc12)c1ccc2c(c1)OCO2 170078405 SUCMVZDOMOCQPV-HSZRJFAPSA-N 444.487 4.808 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2C2CCCCC2)cc1 170114747 HCGKXSGQVAGLHG-OAQYLSRUSA-N 436.464 4.514 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1OC 170123827 DBZCRDCWMQCCHS-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccc(N(C)C)cc1 170128857 MVNQBJYPCDLODM-QHCPKHFHSA-N 436.552 4.918 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(O)cc2)cc1 170133224 XGVMCCTUWZUWBJ-GYCJOSAFSA-N 441.483 4.807 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc(C)c2)cc1 170142069 WXDMFVKRQLJKEU-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(C)c1 170144932 FYLCKHCRSWLJMZ-HSZRJFAPSA-N 442.515 4.794 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1cccnc1 170183079 DSUQXEOYJGEPEB-HXUWFJFHSA-N 434.517 4.547 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@@H]2c2ccncc2)c(C)c1 170205381 XBEWTHFSGPLIIY-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccccc1C 170277396 AIABVAASEGEOPZ-HSZRJFAPSA-N 434.536 4.592 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccco1 170286790 JOERHAWRECDULE-LJQANCHMSA-N 427.815 4.864 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccco2)cc1Cl 170288390 UUMJNDVXFBCZLD-FQEVSTJZSA-N 437.835 4.753 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 252592771 BGZRRJQGKUCEPS-UHFFFAOYSA-N 437.503 4.989 30 10 IJEE C=CCN(C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nc(C(=O)OCC)cs1 409823445 JNMMYHLGGHYGNH-UHFFFAOYSA-N 440.521 4.543 30 10 IJEE C=CCn1c(SCCc2cnc(C)cn2)nc2scc(-c3cccs3)c2c1=O 460436964 MRRPJGCJGXHAAR-UHFFFAOYSA-N 426.592 4.806 30 10 IJEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccc(F)cc2F)CC1 478386778 AVRHNWOCAXEDOZ-UHFFFAOYSA-N 438.396 4.588 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 480133317 QSLVDAKFHRUQFC-SFHVURJKSA-N 449.368 4.621 30 10 IJEE Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2nc3c(cc2C#N)CCCC3)c2ccccc2)cc1 484148938 SIOQFPGKEGZPMA-DEOSSOPVSA-N 438.531 4.640 30 10 IJEE C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 549637219 LGDZPRASOQYVKE-LJQANCHMSA-N 436.560 4.632 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC[C@H](CCOC)C1 564613567 QWPTXPKTCXOHDG-OAHLLOKOSA-N 437.357 4.676 30 10 IJEE C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 581956390 LSITYJQCXLXZJB-BUEREQSYSA-N 446.595 4.761 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2cccc(C(=O)O)c2)cc1 586250614 POKFEVOPWFVTDA-UHFFFAOYSA-N 448.544 4.949 30 10 IJEE C[C@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709340757 FJDLEMYMGPDGMU-UJKGCTCZSA-N 447.498 4.856 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1cc(F)ccc1F)[n+]1cccc(O)c1Cl 735664221 AUZRBDPJFMQKBY-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE C=CCSc1ccccc1NC(=O)CN(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 752047280 VIGRBGRYZUGYOO-DFNIBXOVSA-N 445.629 4.766 30 10 IJEE N#CCOc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 764896236 ATQCJAFMGIBHNY-UHFFFAOYSA-N 437.525 4.676 30 10 IJEE C#C[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OCCC)SC1=Nc1ccccc1C 774258329 TZXKXBGILKBGFB-XMSQKQJNSA-N 449.576 4.766 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)n1 788597795 AKFDNZOYOXYQMN-OAQYLSRUSA-N 446.551 4.645 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 804452712 LSSBNTBOGHMNGR-QHCPKHFHSA-N 448.632 4.840 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(-n3nc(C)cc3C)nc2)no1 904517452 DXVKLIVSRSFDFY-INIZCTEOSA-N 444.923 4.643 30 10 IJEE CC(C)C(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccccc2C#N)[n+]2ccccc2)C=C1 917612276 NKAGPLBVOQOGFD-UHFFFAOYSA-O 443.552 4.575 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1C#N 917703622 NYMXUKGZNYDFIK-IBGZPJMESA-N 438.940 4.666 30 10 IJEE CC(=NNc1nc(SCC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1)c1ccc(F)cc1 1084515029 LVIIRKMNMJIRIN-UHFFFAOYSA-N 427.549 4.513 30 10 IJEE CC(C)/N=C1/N(C(C)C)C(c2ccccc2)=C2C(=O)C(=O)O[C@]2(c2ccccc2)N1C(C)C 1088695856 WYGBQUHHJFCULZ-UYUFHXMSSA-N 445.563 4.575 30 10 IJEE C=CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccccc1 1127301945 OSAFLBLFPNYERE-KRWDZBQOSA-N 436.249 4.637 30 10 IJEE Cc1ccc(C(F)(F)F)c2c1N(C(=O)CCc1c(C)nc(O)c(C#N)c1C)C[C@H](C)C2 1134845384 FDYLUWWWTQUHJS-GFCCVEGCSA-N 431.458 4.761 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3CC(=O)c3ccccc3)n[nH]2)c1C 1137172783 USLBATNBRKWVGK-OAQYLSRUSA-N 445.567 4.734 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccc(F)c2)cs1 1150812198 HHXWJSPLEDMRRU-AWEZNQCLSA-N 425.913 4.924 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)[C@@H](Sc3ccc(F)c(F)c3)c3ccccc3)C2)cc1 1153851642 FVVVWCVCDLOHSD-QHCPKHFHSA-N 436.483 4.960 30 10 IJEE Cc1cc(C#N)cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1 1161670639 AGYOZPAEZKMGFG-UHFFFAOYSA-N 425.897 4.573 30 10 IJEE C=CCn1c(SCc2c(Br)cccc2[N+](=O)[O-])nnc1-c1ccoc1C 1164611068 KIYDZSFSEDDXSF-UHFFFAOYSA-N 435.303 4.996 30 10 IJEE Cc1cc2c(=O)n(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2cc1F 1165902449 HFIHVXLDDOHLJY-UHFFFAOYSA-N 447.310 4.520 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2ccc(-c3ccc(Br)cc3)c(C)c2)CC1 1203797685 WRIOTMFQZDVLBC-UHFFFAOYSA-N 427.342 4.807 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@H](CO)Cc1cccc(Br)c1)c1ccccc1 1224523708 WSIZARRRHQKYJJ-NQIIRXRSSA-N 431.374 4.607 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)NC[C@H](Cc2ccc(Cl)cc2Cl)C(C)C)n1 1227545802 VJMDYSMFWXLJJI-SFHVURJKSA-N 435.399 4.870 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CCCC1 1230926578 IJPOHLVRSNMLCD-UHFFFAOYSA-N 433.980 4.932 30 10 IJEE C#CCN(C(=O)[C@H](SC)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1265210261 NYJVJRAPHVJQAU-UYAOXDASSA-N 430.367 4.839 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CC(C)(C)C2)c1 1269409684 MPUPTSWLKCHLCS-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 1273110122 IIOITADQYAUDGX-UHFFFAOYSA-N 440.293 4.563 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2cccc(C(F)(F)F)n2)s1 1273772222 NDPMMHMGBVNYMJ-UHFFFAOYSA-N 435.924 4.611 30 10 IJEE N#Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1Br 1274484403 FFONTWPRKNENNY-OAQYLSRUSA-N 448.320 4.821 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1OC 1277021675 DDPIDQDEYXYXDG-VMEOIAKTSA-N 444.572 4.518 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286316324 HXFQJKCDIJMHLG-UHFFFAOYSA-N 448.533 4.940 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286317892 QBJCURYJLKVTFE-FUHWJXTLSA-N 432.399 4.728 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1CC[C@H](F)C1 1286439426 WEKGHEGNGCVINR-HIFRSBDPSA-N 439.760 4.959 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1286562921 HOWPPZPHTVQHCR-SMISUXHESA-N 438.616 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](COCC)C1 1286665865 DXJMSMKLWWRGIK-FQEVSTJZSA-N 439.604 4.612 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286688928 GTOOJTASJNZXKB-YADARESESA-N 445.007 4.653 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC[C@H](C)C1 1286759650 DXGRQCKHDSONSY-XZOQPEGZSA-N 446.643 4.639 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC[C@H]2COc2ccc(Br)cc2)cc1 1289391113 VBHIXFVZYRFWAE-IBGZPJMESA-N 430.342 4.626 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](CCN(CC)CC)c2ccccc2)CCCN1C(=O)OC(C)(C)C 1289798216 WHWOJMFYMSJKJW-BKMJKUGQSA-N 443.632 4.922 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1NC(C)=O 1292129998 SNOAYOOICZRBSH-INIZCTEOSA-N 443.466 4.852 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1scnc1C 1300394123 MYONNUNEOPWFMJ-UHFFFAOYSA-N 430.375 4.522 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)COCC 1300431241 VQDAGDDTYCHETL-GOSISDBHSA-N 432.996 4.820 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1Cc1cscc1C(F)(F)F 1300584640 ZGIKALIFYPUWGC-UHFFFAOYSA-N 446.473 4.600 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCOC1CCCCCC1 1300604000 ZZWHTBWWOYURQF-UHFFFAOYSA-N 445.405 4.907 30 10 IJEE COCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1 1300928303 BGMZEWVZOGCAGW-QGZVFWFLSA-N 445.995 4.874 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CC)c2ccccc2)CC1 1301109467 JPXHMCQCVGYFSF-ATIYNZHBSA-N 438.616 4.915 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1301159779 GERHUZNRRLZGJO-QFIPXVFZSA-N 447.583 4.821 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301190710 XUUJJVWVTOEQBF-CRAIPNDOSA-N 426.458 4.520 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C)=C(Br)C1 1301209528 XTTQCWASAMLLSG-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(N2CCCCC2)CC1 1301231853 RNDGCKMOFQEWCE-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCOc1ccc(Cl)cn1 1301272526 HKNVATUUBFBJHK-GOSISDBHSA-N 441.963 4.785 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(SC)CCN(C)CC1 1301279019 UGXFLTWYTUNUFL-KRWDZBQOSA-N 445.702 4.581 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@H](C)C1)C(C)C 1301366619 GIKJYWJXLGDHFX-AOHZBQACSA-N 437.632 4.566 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)C[C@@H]1C 1305149708 FHDLYCBOJIRJKA-OKILXGFUSA-N 442.386 4.781 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1ncc(Br)cc1F 1307311719 CCTNEJPOYJNYPO-UHFFFAOYSA-N 435.322 4.632 30 10 IJEE C=CCOc1ccccc1CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)c(C)c1 1307568805 FBVWNLOOSXEENP-QFIPXVFZSA-N 442.625 4.546 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1313001163 IBNQOBZIWHIXMG-RYFAJOAYSA-N 449.636 4.615 30 10 IJEE C#CCN(C(=O)N[C@H](C)C1CCC(F)CC1)[C@@H]1CCOc2ccc(Br)cc21 1313083047 LVYANGJEHDBWDJ-MRWWZRLISA-N 437.353 4.834 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 1352320165 VHLJESQQLGHTPV-LBPRGKRZSA-N 439.256 4.954 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cc3ccccc3)CC2=O)cc1Cl 1352937905 CKMBQSFMKQPPAJ-FQEVSTJZSA-N 429.907 4.794 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 1352962402 YXRXYFAOVUWNSC-HSZRJFAPSA-N 448.563 4.741 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)Cc1cccs1 1358991455 BOPYQPKQBNVQLK-LJQANCHMSA-N 427.577 4.830 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCOC(C)(C)[C@H]1C 1359051050 KPUFACYWVKQPNT-IAGOWNOFSA-N 444.670 4.502 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)c2ncc(C)s2)CC1 1359180017 OHLBJMKDFHCJTR-MRXNPFEDSA-N 425.577 4.979 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1359205225 QDMZKGMDGHVBCS-IRLDBZIGSA-N 432.597 4.734 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CCc1nccs1 1359257031 XQNIVIDBVDJCAB-UHFFFAOYSA-N 432.597 4.774 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H]1CCO[C@@H]1C(=C)C 1359260247 XZNANGRFXIVZHG-NFBKMPQASA-N 435.547 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC[C@H](F)C1 1359277531 OOGFECYWCZMLNU-QUCCMNQESA-N 426.511 4.974 30 10 IJEE C=CCC1(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)CCOCC1 1435122189 XGZLJRAYKATHSZ-UHFFFAOYSA-N 427.928 4.591 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)CSc1ccccc1OC 1443716076 VIWDBPJYTWLLEJ-ZBFHGGJFSA-N 443.009 4.576 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1449310782 NKJCTFJYQIWCKY-NRFANRHFSA-N 434.577 4.540 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 1450661057 LDJCISKDAVMISH-LJQANCHMSA-N 440.506 4.956 30 10 IJEE Cc1nc(SCC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)c(C#N)c(C)c1C 1451335154 DNXYOJSIJOHGLB-UHFFFAOYSA-N 429.536 4.730 30 10 IJEE C=CCCONC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1454240329 QDNBPIHYLIIBOP-UHFFFAOYSA-N 435.471 4.819 30 10 IJEE C=CCC(F)(F)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2cc(Br)ccc21 1454596123 RNMRTRHXQWMFRD-CYBMUJFWSA-N 430.289 4.823 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(Cc3ccccc3Cl)CC2)CCCN1C(=O)OC(C)(C)C 1454823391 UPZXXDNSFAPNRV-RUZDIDTESA-N 445.003 4.914 30 10 IJEE C=CCN(C(=O)Cc1cc(C)n(-c2ccccc2)c1C)[C@@H](Cc1ccccc1)C(=O)OCC 1458994404 FHXCCDBVYJNBOH-SANMLTNESA-N 444.575 4.826 30 10 IJEE C=CCN(C(=O)/C=C/c1csc(C(F)(F)F)c1)[C@H](Cc1ccccc1)C(=O)OCC 1459000209 NQVDSVZEXXWXJY-DOJUMQAQSA-N 437.483 4.969 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(F)cc(N(C)C)c2)nnc1-c1ccc(Cl)cc1 1461322013 JJMMBKXYUXNELU-UHFFFAOYSA-N 445.951 4.720 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1462761980 FUYOBISRANKCRQ-OAHLLOKOSA-N 426.529 4.587 30 10 IJEE C=CCOc1ccc(CC(=O)NCc2ccc(Br)c(Br)c2)cc1 1463019388 LLLSXNKANFTPJE-UHFFFAOYSA-N 439.147 4.635 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)NCc3ccc(Br)cc3F)c2)c1 1463269674 ACALLTWYFIFIPX-UHFFFAOYSA-N 439.284 4.969 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)c3cc(Cl)ccc3OC3CCCC3)CC2)cc1 1463832957 BMXPSSBSQRPYLX-UHFFFAOYSA-N 437.971 4.881 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 1464305790 ZZNATAVLWOVBRK-QGZVFWFLSA-N 433.961 4.633 30 10 IJEE CCOc1cc(Br)c(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1OCC 1464440379 ABZQGYIDNUZLIT-UHFFFAOYSA-N 425.229 4.649 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1OC 1466290659 IHOHNTDGQGYAPH-FNUUXAGOSA-N 431.536 4.864 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccccc1)C(F)F)[C@@H]1CCOc2ccc(Br)cc21 1466618533 UOSVEPNMEXCMKI-MJGOQNOKSA-N 449.295 4.924 30 10 IJEE C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1466693805 BSDKPVCWZIAOQY-OAHLLOKOSA-N 428.458 4.944 30 10 IJEE C=CCOc1ccccc1CNC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1467698059 WDQDFGOBBVFJPM-QHCPKHFHSA-N 444.510 4.981 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1467901777 AFGUZSBBDLKLQL-FQEVSTJZSA-N 433.980 4.835 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC 1471056813 IXGSDCKSOQYMBX-PKHIPVCBSA-N 444.572 4.569 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)c(Br)c1 1471715197 DBUROYVYUZVIAU-QGZVFWFLSA-N 425.367 4.623 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)c1 1473137996 FOHPUGXZGDNBLN-OAHLLOKOSA-N 429.442 4.560 30 10 IJEE C=CCC1(CNC(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CCCC1 1478461124 HYCCVUDAJWPWAF-UHFFFAOYSA-N 437.506 4.746 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1)c1ccccc1 1478896050 JQMUNYFIYFWATG-QHCPKHFHSA-N 447.579 4.629 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1497581385 BNQWYHHZOHTHEF-XDSPWSPCSA-N 437.588 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1507522213 UNMWWUSPIGUWOJ-VGWMRTNUSA-N 431.353 4.741 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1507555779 DSCHCDCCYDIELG-JOCHJYFZSA-N 449.986 4.937 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1507763566 CZOAAGPJDPNGOD-SPEYYTFGSA-N 433.644 4.933 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)Cc1ccc(Br)cc1 1507804621 HIVLCMSXFDGRPS-RXVVDRJESA-N 445.405 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)Cc1ccoc1 1507810552 XHBCGKIEOMIGQZ-URXFXBBRSA-N 436.556 4.685 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1507829111 QVWDWGDFYKASLK-WOJBJXKFSA-N 448.615 4.534 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1507860057 IGSVYQJGCABSNY-CRAIPNDOSA-N 427.763 4.726 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@@H]1C(C)C)C1CC1 1507990807 OICVVPIJHBMPRQ-HRAATJIYSA-N 430.980 4.823 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@](C)(CC)O1 1508007479 CACPODRKVXAASW-NVQXNPDNSA-N 449.574 4.943 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCc2ccccc21 1508007514 DCZOGZVKFAOCEQ-RUZDIDTESA-N 436.625 4.955 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCCC[C@@H]2C)C1 1508115355 IVNLIMXNFXANSK-SIKLNZKXSA-N 444.023 4.644 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1 1509095017 DCOMKLVYDPNSDY-SFTDATJTSA-N 439.629 4.600 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1cccs1)N(C)C 1509947377 AAMJWSLUGUDDDA-AEFFLSMTSA-N 434.569 4.794 30 10 IJEE C=CCC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 1520113576 NIKVTIXHTBZJQP-HXUWFJFHSA-N 444.453 4.905 30 10 IJEE C#Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 1522546994 IONXWFHFFZECCX-RDGATRHJSA-N 428.557 4.839 30 10 IJEE C#CC[C@@]1(C(=O)N(C)c2ccc(C)c(Br)c2)CCCN1C(=O)OC(C)(C)C 1523676784 MDUBCFRCQVAXSU-NRFANRHFSA-N 435.362 4.513 30 10 IJEE C=C[C@H](CC)CC(=O)O[C@@H](c1ccccc1)[C@@H](C)N(C)S(=O)(=O)c1ccc(C)cc1 1523811381 KARZZLYMQJPLQR-YOSAUDMPSA-N 429.582 4.891 30 10 IJEE C=CCC1(CNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CCCC1 1532538822 OPTUETCRLYJINC-UHFFFAOYSA-N 446.657 4.574 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3[S@@](=O)C(F)(F)F)cn2)c1 1533324420 DTJXUCRHZOINPS-SSEXGKCCSA-N 431.395 4.625 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@]23CCCC[C@@H]2C3)c1 1535054067 PQHBNLWAWDNQII-WZONZLPQSA-N 444.984 4.784 30 10 IJEE C=C[C@@H](OC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-])c1ccccc1 1538938910 OMBMNYBSSQYPOJ-GOSISDBHSA-N 426.450 4.723 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1539148612 QVJNDZDAYIXZBZ-OALUTQOASA-N 444.023 4.651 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCc1nc(C(C)(C)C)cs1 1539160926 FLVXQLRPEZRTBN-UHFFFAOYSA-N 444.004 4.673 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[C@H]1CC 1539250622 PVITVFRZDWGTIZ-SJORKVTESA-N 443.364 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1COCCO1 1539650835 WLWMEIDKBAHWRJ-ICSRJNTNSA-N 448.995 4.506 30 10 IJEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCSC2(CCCCC2)C1 1539717537 FPNGVKDGAKMAGO-UHFFFAOYSA-N 428.602 4.698 30 10 IJEE C=C(Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CN(C)CCC)C1)c1ccccc1 1539767405 SXPSUJSZUBSRDB-QFIPXVFZSA-N 435.641 4.812 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1539790168 DQYKWASRVMCVJZ-HNNXBMFYSA-N 449.411 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCCO[C@H](C)C1 1539907329 ZRSCPUOIPXJARU-CQSZACIVSA-N 439.423 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539910666 YWNWZTUGVYNXFE-AREMUKBSSA-N 435.616 4.561 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1539954978 LHDBOGOQMDKYNC-HSZRJFAPSA-N 429.572 4.828 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)Cc1cc(Cl)ccn1 1539981812 NOLBCAADIBOUIF-UHFFFAOYSA-N 433.947 4.986 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1sc(C)nc1C 1540047708 KMZPNGIZTSJHCD-INIZCTEOSA-N 427.574 4.561 30 10 IJEE C=CCN(c1nnc(-c2cc(C)nc3ccccc23)n1CCCOC(F)(F)F)C1CC1 1540095546 RVDJXNUOPQQLAQ-UHFFFAOYSA-N 431.462 4.883 30 10 IJEE C=CCN(c1nnc(-c2cn(C)c3ccccc23)n1CCSCC(F)(F)F)C1CC1 1540103882 MBBUFQQPCYNJQY-UHFFFAOYSA-N 435.519 4.887 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC1 1540112641 YUUXPVLCENJUPD-FQRUVTKNSA-N 437.632 4.543 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS1 1540137179 QAUYAQFYXQFRHN-LJQANCHMSA-N 443.617 4.861 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCN1CCCC[C@H]1CC 1540142371 KBZLRIVZXKZAAJ-HXUWFJFHSA-N 438.645 4.802 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC1CCN(c2ccncc2)CC1 1540158670 NSFCNSDEJDXJQY-UHFFFAOYSA-N 442.611 4.998 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H]1C(C)C 1540180196 JKTKPBRHZJSFMK-ILBGXUMGSA-N 445.611 4.945 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 1540795180 QYGPRZJKXNPBBQ-UHFFFAOYSA-N 436.533 4.542 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2[C@@H]2C[C@@H]2C)C1 1540895159 MIRKLMVSLZAJSJ-PWIZWCRZSA-N 430.980 4.614 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1(C#N)CCC1 1544209826 UFQYVNYKPPTCKL-XMMPIXPASA-N 443.547 4.765 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccnc(SC)c2)cc1 1546188513 BVZIXLLKHTUFHR-UHFFFAOYSA-N 432.597 4.803 30 10 IJEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CCCCC1 1558514651 RYBFISFOAUPUHB-UHFFFAOYSA-N 430.957 4.597 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 1558981401 FUKDTLJLTBEBPP-UHFFFAOYSA-N 445.491 4.664 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@H]2CSCCN2Cc2ccccc2)cc1OC 1560438617 BFBLZXPJZJHNKH-FQEVSTJZSA-N 433.017 4.621 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2OCC(F)(F)F)cc1 1562263314 KVBYHBPGYIVQTL-UHFFFAOYSA-N 447.457 4.764 30 10 IJEE C#C[C@@H](NC(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C)c1ccccc1 1564997692 NPILKBBIFPBZGJ-FCHUYYIVSA-N 433.552 4.807 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC2CCCCC2)nc1 1584448440 NMWSCCNQYVOJMO-HXUWFJFHSA-N 431.577 4.659 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@@H](CC)C1 1587711855 IEWUONXTYXHFQR-SFHVURJKSA-N 433.419 4.843 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCCN1CC 1587909115 CYTOOXDCMIGAMD-FPOVZHCZSA-N 444.023 4.632 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1c(C)noc1C 1588452215 OAQCSNKTWDLYFO-UHFFFAOYSA-N 429.977 4.531 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1589560452 ZNUXSXBVMSEPJV-DLVXIWMQSA-N 426.527 4.627 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC1(c2ccccc2OC)CCC1 1589669287 PBCFBWBZUVOUNA-UHFFFAOYSA-N 431.584 4.797 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1593666790 YTKWBJUJCJBVRR-NRFANRHFSA-N 438.616 4.996 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCCCCC2)CC1 1594078039 ZASDUINDCJTUOM-UHFFFAOYSA-N 427.980 4.548 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)COc2ccccc2OC)CC1 1594236976 LDBJUZOHXVKFSO-WMZHIEFXSA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1594600294 QFIWLNKVWBOCMD-UHFFFAOYSA-N 449.578 4.681 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@H](C)C1 1595275685 LLTVRYJVHUBJQJ-DLBZAZTESA-N 433.394 4.783 30 10 IJEE C#CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 1596537880 FHMLLBRIDMHOHA-HSZRJFAPSA-N 432.545 4.599 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)c(OC)c1 1598327364 SQRDCCWTPSURHQ-DEOSSOPVSA-N 433.470 4.844 30 10 IJEE CCC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(CC#N)CC1)OC 1614410949 CKKOBRCTSZCMLQ-HXUWFJFHSA-N 427.618 4.824 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)NC1(c2ccc(Br)cc2)CCCC1 1621665155 FHMNVWCXNSOIHD-UHFFFAOYSA-N 439.762 4.722 30 10 IJEE Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc(C#N)c(Br)c1 1622079519 GBNLIGNCURQFNN-INIZCTEOSA-N 447.276 4.601 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)cc1 1622929793 XLHZHUIBZRIAKE-SFHVURJKSA-N 441.531 4.915 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1F 1623826287 YNBYGSOVHFNFMV-KRWDZBQOSA-N 448.947 4.938 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C)c1ccc(Br)cc1 1626126853 PZJZFDARYVUVNU-SFHVURJKSA-N 427.277 4.578 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)c1 1626559277 BQDPXBAUDHOOCZ-NRFANRHFSA-N 443.977 4.718 30 10 IJEE N#Cc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1 1626645279 BDTJKXNYPKGWTE-QHCPKHFHSA-N 431.927 4.546 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)c(OC)c1 1628109243 WAJICBCSCVZGSI-GFCCVEGCSA-N 434.323 4.863 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCC(C)CC2)cc1 1629588575 DWBIPGREQCILGW-QHCPKHFHSA-N 443.632 4.784 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CC(C)C)c3cccc(Cl)c3)ccc2c1=O 1635502614 ZXXGQIIWMWTWGC-UHFFFAOYSA-N 427.957 4.827 30 10 IJEE C=CCc1cc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)cc(OC)c1OC 1638381813 UOFJRQPBXBRBEX-UHFFFAOYSA-N 430.407 4.941 30 10 IJEE C=CCN(CCc1ccccc1)c1ncc(C(F)(F)F)cc1I 1642179076 LIQAWZUDNDXRPT-UHFFFAOYSA-N 432.227 4.940 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C(F)(F)F)CC[C@H]2C)n(-c2cccc(F)c2)c1C 1642684643 APGLBEFTKTZKFL-CJNGLKHVSA-N 436.453 4.706 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)CN(C(=O)OC(C)(C)C)C1 1643801950 QRLJUBSPCSANGR-QFIPXVFZSA-N 442.600 4.600 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=[S@@](=O)(CC)c1cccc(Cl)c1 1647901569 PUKHCJRJRUNFHW-JYRCXFKTSA-N 428.982 4.963 30 10 IJEE CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)cc(Br)c1 1659825248 AJCMQQPQHUSCTD-UHFFFAOYSA-N 427.751 4.573 30 10 IJEE CCOc1cc(CN(C)Cc2cc(C#N)ccc2Br)ccc1OC(F)F 1664061061 AILIQHWWRYCWRX-UHFFFAOYSA-N 425.273 4.953 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 1668205480 QZQSLNSGZIBWCT-HXUWFJFHSA-N 437.931 4.891 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(OCC(=O)OC)c2ccccc12 1669423692 HZMZXVUVMAPMHQ-UHFFFAOYSA-N 434.492 4.933 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1[C@@H](O)c1ccccc1 1670845792 UKUUWQMQLUJLLZ-QUCCMNQESA-N 431.330 4.744 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C(=O)OC)C1CCCCC1 1672708408 LFXIUBJUKXWZOI-MRXNPFEDSA-N 439.350 4.505 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 1672708566 QFEQBRCTDAZLFW-DOMZBBRYSA-N 437.256 4.635 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc(C(F)(F)F)c(I)c2)c1 1674474116 VRBMSLGSQBVTKG-UHFFFAOYSA-N 444.194 4.960 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c(Cl)c1 1675169481 PKRJJOWPTOEYFG-MSOLQXFVSA-N 431.964 4.822 30 10 IJEE Cc1ccc(C2(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CCCC2)c(C)c1 1681561155 IEELWLNKRMLWBC-UHFFFAOYSA-N 430.596 4.514 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@]1(C)OCCc2ccccc21 1687435554 BCICHLORTQZOHD-JOCHJYFZSA-N 447.348 4.774 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCOC(C)(C)[C@H]1C 1689876651 GLFDIYSVODOYTI-MRXNPFEDSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1689876680 HCHFAHAMTLIVOE-SIKLNZKXSA-N 440.563 4.756 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(C(F)(F)F)cc1C 1690051086 LUZUHJBDGKDVLS-UHFFFAOYSA-N 428.502 4.849 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCc2cccnc21 1690059660 VCXGZSKLTZWVMU-UYAOXDASSA-N 433.531 4.532 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CCCOC2)CC1 1690404430 DFPPEXJOMZFDQK-INIZCTEOSA-N 449.368 4.676 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1690607301 JVPSXPAPLSURKN-FYYLOGMGSA-N 435.572 4.619 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1690632572 DAZLZADNHYPCMH-KBXCAEBGSA-N 445.386 4.922 30 10 IJEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1692923116 IECWWLJRDWDSOR-FDDCHVKYSA-N 433.556 4.950 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(F)CCC1 1705501664 LVHLVVCVWZNPSX-AWEZNQCLSA-N 425.335 4.904 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C)(C)CC1 1705653302 DUJGCIIQSDYTLH-IBGZPJMESA-N 442.629 4.810 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C)(C)CC1 1705653303 DUJGCIIQSDYTLH-LJQANCHMSA-N 442.629 4.810 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705696694 ICMCLEJRWDKGNW-SHJAMOMRSA-N 446.542 4.662 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](CCOC)C1 1705732461 ZWEZNADZTKGRBV-RBUKOAKNSA-N 444.645 4.587 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccnc(OC(F)F)c2)CC1 1705783117 SPTGYJVPGGHGBR-UHFFFAOYSA-N 439.510 4.624 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)c2cccs2)CC1 1705784106 HILXHMLFNKVABT-RUZDIDTESA-N 436.625 4.825 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(Br)s1 1705792096 MLPUWWOMDVUZJU-AWEZNQCLSA-N 439.423 4.845 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC2(CCC2)C1 1705800114 OTESTWDIDCSCFB-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C2CCCC2)CC1 1705800871 METMQKAPYCWPPF-UHFFFAOYSA-N 438.576 4.664 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1CCN1CCC[C@H](C)C1 1705864742 LGQLKYZYQFTBMF-FQEVSTJZSA-N 427.612 4.930 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCO1 1705868109 BNPCNJKZQIOJKF-QGZVFWFLSA-N 444.551 4.970 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1csc(C)n1 1705943713 IYLRYJVIWHKNDC-LJQANCHMSA-N 426.615 4.674 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C(C)C)n1CC1(N2CCSCC2)CCCCC1 1706462289 CQJPUNHAGQUXMP-UHFFFAOYSA-N 446.709 4.919 30 10 IJEE CC(C)SCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC2CCCC2)CC1 1706713484 HRIJTFLWONTEFY-UHFFFAOYSA-N 439.629 4.886 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](c1cccs1)N(C)C 1706743050 BHAQVHMTYQJULY-RDTXWAMCSA-N 446.983 4.840 30 10 IJEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC(C)(C)C1)c1cccnc1 1708175182 BCSVSPZLMLBJGL-WMZHIEFXSA-N 444.583 4.655 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1C(F)(F)C12CCC2 1722282526 NQNZEBWOMRLHRV-UZLBHIALSA-N 444.526 4.634 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1ncc(C)s1 1722418298 MARNRPDPYKHNMO-MRXNPFEDSA-N 434.544 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H](OC)[C@H](C)CC 1722469677 ISIOIALSVYPWHL-GTCCEBARSA-N 445.405 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@](C)(O)c1cccc(Cl)c1 1722475453 ZRNUWXAGHIMUHS-RPWUZVMVSA-N 426.992 4.564 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCCCC2)CC1 1722562741 KFJQWWPQWRNEHI-UHFFFAOYSA-N 429.996 4.640 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](OC)C(C)C)CC1 1722576453 OWRFKORZGHERDP-LJQANCHMSA-N 433.394 4.781 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(F)(F)CC1)C1CC1 1722653536 GPKRQJPVIHIULC-UHFFFAOYSA-N 427.499 4.709 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC(C)C)nc1 1722658677 ZQNUSQIJZRARQD-QHCPKHFHSA-N 447.583 4.943 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1CCOC(C)(C)C 1722660704 DDQRTGQJBMDAFJ-UHFFFAOYSA-N 443.592 4.781 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)C[C@H](C)c1nccs1 1722707324 MLQBGCJDUNUCNL-SFHVURJKSA-N 448.596 4.593 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CCOc1ccc(Cl)cn1 1723771298 DBWZTTSGVHOOEZ-OAHLLOKOSA-N 436.903 4.557 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1Cl 1740559875 WYRXDWLUCSTABD-LPHOPBHVSA-N 443.979 4.510 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCOC(C)(C)[C@@H]1C 1740572439 LGJZAFAPJGXKRU-INIZCTEOSA-N 431.378 4.515 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1740573491 DONTZWJAEFZHSR-IBGZPJMESA-N 445.652 4.800 30 10 IJEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCCc2sccc2C1 1740580440 XYFFJNPJMJPNPA-UHFFFAOYSA-N 436.581 4.684 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1SC 1740778177 MOVPIVUOCIXSNC-UHFFFAOYSA-N 432.391 4.970 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@H]1CC 1740791216 XZCGPFIUEUZSRV-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1740878052 GUFWDRVHGKCXDI-JOCHJYFZSA-N 435.616 4.623 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H](C1CCCCC1)N(C)C 1740903798 LUGNRGYVAOWCNK-JOCHJYFZSA-N 425.621 4.607 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1740928924 ADGKZTANWJSGIE-UHFFFAOYSA-N 449.599 4.999 30 10 IJEE CCc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)s1 1744359765 HJXQQIWKPKNAIF-HOTGVXAUSA-N 427.549 4.825 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@H](c2ccco2)C1 1748739626 DVCLBURKKKLMLO-HXUWFJFHSA-N 434.540 4.743 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC1(O)CCCCCC1 1748773789 GGEPOTUBFHVOLC-UHFFFAOYSA-N 428.989 4.968 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)C(C)C 1749122597 YJCNGWBZKREZPN-WMLDXEAASA-N 439.423 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1sc(C)nc1C 1749159658 WSIMQZFBYXGCOY-HXUWFJFHSA-N 439.585 4.509 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCC[C@@H](SCC)C1 1749174993 KQTJFIAQBJIPSJ-MRXNPFEDSA-N 438.439 4.734 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(Br)c1 1749266440 HUVNBRSAVAEMQS-MRXNPFEDSA-N 425.758 4.671 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@](C)(O)C(C)C)CC1 1749293335 JJNAWWYPZYQXNP-RUZDIDTESA-N 436.556 4.681 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCOCC)CC1 1749348640 SYJAQUJJLXKHKX-UHFFFAOYSA-N 426.605 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC[C@@H]1C 1749357506 SNXSNVUCULVTDU-INIZCTEOSA-N 433.394 4.843 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1749499392 GIGBIWHLCXAQJX-REWPJTCUSA-N 426.605 4.937 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CCN1CCCC1 1749587212 LVAZVPXKNHLXBM-UHFFFAOYSA-N 425.964 4.522 30 10 IJEE CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1750694015 CKVGTFWDFKVBJV-JPYJTQIMSA-N 447.002 4.844 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1760158081 JMJWJURQQFAPIJ-KNQAVFIVSA-N 436.581 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1CC1(COC)CCC1 1760222257 CWZPLKXDNDVSSD-UHFFFAOYSA-N 443.016 4.503 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@H](c1ccsc1)N(C)C 1760241527 CFNJSHFVMBJEAM-JOCHJYFZSA-N 437.588 4.689 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)CC(C)(C)C1 1760326200 WADPISSHJLSATB-NOXFTYBFSA-N 426.580 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1760336225 WHRYIQVWFLLRFD-ICSRJNTNSA-N 432.515 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1760339544 MARAOIQTTCWKFX-GOSISDBHSA-N 447.649 4.978 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCCCCO 1760343309 MLVABXRIQMAJOG-UHFFFAOYSA-N 427.774 4.536 30 10 IJEE C=C(C)Cn1c(N(C)Cc2cccc(C(F)(F)F)c2)nnc1[C@]1(OC(C)C)CCOC1 1760349604 RSZBEJUCOANHDJ-NRFANRHFSA-N 438.494 4.550 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)[C@@H](C)C1 1760360006 NOCSLRKRGZZXJC-OYRHEFFESA-N 426.605 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1csc(Br)c1 1760410542 INYHEGWWCNMGGN-UHFFFAOYSA-N 449.422 4.741 30 10 IJEE C=CCCOCCn1c(-c2cccc3cccnc23)nnc1N(C)CC1CC(F)(F)C1 1760446957 BBSVWMNNDPNZLM-UHFFFAOYSA-N 427.499 4.568 30 10 IJEE C=CCCOCCn1c(C2CC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1760449207 DISNWEOSHPYSPR-HNNXBMFYSA-N 431.378 4.634 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1cc(C)cc(C)c1 1760454377 HDHOJNGQASXGRE-UHFFFAOYSA-N 428.378 4.528 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1760458484 IDZWCPAXPIMXKJ-UHFFFAOYSA-N 445.276 4.675 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CCCS1 1760477474 BGTIVKRBCAXRPY-YKSBVNFPSA-N 442.629 4.659 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760478065 TURMKFDKRHLUAJ-BKMJKUGQSA-N 447.583 4.889 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C)(C#N)CC1)C(C)C 1760490524 YZQBJFIRXCRNAX-NRFANRHFSA-N 426.653 4.695 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccccc1F 1760491092 SNBRSYCPCHQLKV-UHFFFAOYSA-N 444.352 4.606 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccccc1Cl 1760498515 UTVRTYIFYHCWKQ-DEOSSOPVSA-N 442.991 4.965 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCO[C@H](C)C1 1760569290 KCRNNSKFWLLCJB-HXUWFJFHSA-N 444.645 4.823 30 10 IJEE CCC[C@@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1763714109 DJCDDGXBTPTTGY-NBGIEHNGSA-N 439.604 4.716 30 10 IJEE CC[C@H](Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1C(C)(C)C)N1CCc2ccccc2C1 1764282094 GGRYLOJVTFRXPL-GJZUVCINSA-N 434.632 4.543 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1765085440 HPHZGJOPDNOFFD-IEBWSBKVSA-N 437.979 4.666 30 10 IJEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 1767150564 BBGLYUPTOURHFR-UHFFFAOYSA-N 439.928 4.721 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H](C)CC#N 1770580397 IDFQTGAYTYZPCF-IMBTUZDBSA-N 427.618 4.685 30 10 IJEE N#Cc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1Cl 1858020040 YQMLBRZEPBZBRW-UHFFFAOYSA-N 446.315 4.918 30 10 IJEE CCOc1cc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 1860728649 ICJAWKXHYBKFJS-OQLLNIDSSA-N 431.488 4.894 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1861125240 LVABPCDLOFKNDN-JOPBRCQMSA-N 437.540 4.942 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(O)c(O)c1 1862403148 PCADSDAVQCIJHR-JOCHJYFZSA-N 439.508 4.573 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1cccc(O)c1)c1ccccc1Cl 1862430801 SEZQZIJSUVTSOS-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478961 VKVPHRIPTQGEQN-SAWYMBPVSA-N 433.504 4.850 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(F)cc2F)ccc1F 1862503183 SBMJTSNCLQEURH-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(F)cc2)cc1 1862627676 PUERBOFLKCWPFI-HSZRJFAPSA-N 445.446 4.641 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)cc2)cc1F 1862638630 GQFWXBUSKPQIIT-JSVDNDDVSA-N 439.483 4.697 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862669279 RXKVTQKLAZZKAZ-UZUQRXQVSA-N 437.536 4.558 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2F)cc1 1862702503 DUXLFJANHJQARE-QHCPKHFHSA-N 447.462 4.621 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(F)cc2F)C1=O 1862952889 BRJUARKROFYFEZ-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE C=CCOc1cn(Cc2ccccc2Cl)c(CN(CC)CCc2ccncc2)cc1=O 1870383456 HRJUCKVRCZDIHO-UHFFFAOYSA-N 437.971 4.574 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCN(C)CC1 1870627858 IQAXQFXLVWSAPN-UHFFFAOYSA-N 439.644 4.844 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1CCCCN1CCCC1 1870769845 KWHGOGUJFMYSIN-UHFFFAOYSA-N 449.639 4.786 30 10 IJEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc(-c2ccccc2C)cc1 1870877418 YAQZGKTZXZHLNC-UHFFFAOYSA-N 446.547 4.954 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccncc1)C3=O)CN(C[C@@H](O)c1ccc(Cl)cc1)CO2 1871358715 ATTKMPZTCRUOBI-ZXODNGDMSA-N 448.906 4.545 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(N(C)C)c([N+](=O)[O-])c4)ccc3C2=O)cc1 1871363893 VGFFVCCDRBUBKB-FMCGGJTJSA-N 444.443 4.805 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccnc2)C3=O)c1 1871389310 PELHSNLWKKCIOZ-MTJSOVHGSA-N 429.428 4.541 30 10 IJEE Cc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccccc4C(=O)O)cc(C)c3C2=O)c1 1871431792 XRKGTPIMWLHFSW-UUYOSTAYSA-N 443.455 4.635 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)Nc1c(F)cccc1F 1871440292 IAPBWUASXILPNC-JMIUGGIZSA-N 425.362 4.738 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccccc4Cl)cc(C)c3C2=O)o1 1871445685 IBVYYFQACADMDX-FBHDLOMBSA-N 437.879 4.861 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(NC(=O)C5CC5)cc4)ccc3C2=O)o1 1871445912 SVYRLLHUHQTIFX-CFRMEGHHSA-N 443.455 4.814 30 10 IJEE COc1ccc(CCOc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 1871448741 YIWWCXANXXSKKJ-MYYYXRDXSA-N 432.472 4.950 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 1871452545 RBKMEBSHDKLGJE-QRVIBDJDSA-N 433.435 4.858 30 10 IJEE Cc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871453858 VLJYNMRKHSUNKQ-UUYOSTAYSA-N 430.416 4.537 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CC 1872207821 HRXCUSQMILWAJT-QHCPKHFHSA-N 444.597 4.601 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c(OC)c1 1872788452 ITSDRIITLCHWOG-KRWDZBQOSA-N 442.924 4.908 30 10 IJEE CCCCCCCCNC1=C(c2c(Cl)cccc2Cl)C(=O)N(CCN(C)C)C1=O 1873095406 CUPWKSSDDMXCGX-UHFFFAOYSA-N 440.415 4.585 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC(F)(F)F)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330420 GLXRWHOALTXMCO-UHFFFAOYSA-N 430.426 4.888 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)oc2c1C 1873935975 QYNFIXNZLPEKQW-UHFFFAOYSA-N 437.492 4.563 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1c(F)cccc1Cl 1874296882 YSAWJRSCRNVHLD-WSDLNYQXSA-N 431.880 4.730 30 10 IJEE Oc1ccc(/C=N/n2c(CCc3ccccc3)nnc2SCc2ccc(F)cc2)c(O)c1 1874399106 ZNIHNCRCJWGVSP-CVKSISIWSA-N 448.523 4.788 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccncc2)cc1 1874426460 JSELADXOIIDKKG-WGOQTCKBSA-N 442.548 4.516 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cccc(O)c1 1874478375 XCTUSXJJOXKCGH-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C2CC2)c1 1874519502 WCTBNLGAKXNMGH-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Br 1874618094 JXJPBVGZUOXGIT-VQHVLOKHSA-N 430.342 4.867 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1OC 1875095011 UJZNIKWVUIZIBB-ZRDIBKRKSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3OC)cc2)cc1OC 1875098788 KCXHQUQPNUHNQK-GXDHUFHOSA-N 448.471 4.593 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)CCOC)c(OCC)c2)cc1 1875130568 WLMAMIKOMBPFEH-IZZDOVSWSA-N 432.900 4.975 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 1875234836 CKCUCVDNELVKOK-UHFFFAOYSA-N 430.552 4.788 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 1880013543 CXUQWXBXLNJXMA-YDIMBITNSA-N 427.545 4.715 30 10 IJEE O=C(Nc1cccc(C(F)(F)F)c1F)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889403541 RPSXJEMZAPCIRU-NSHDSACASA-N 436.331 4.659 30 10 IJEE N#Cc1cccnc1OC1CCN(C(=O)c2ncoc2-c2cc(Cl)ccc2Cl)CC1 1891384155 YIXVDZMNOFBGBR-UHFFFAOYSA-N 443.290 4.599 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2nc(-c3cccs3)cs2)c1 1891556176 IETUBGVPLNQKPW-UHFFFAOYSA-N 425.579 4.530 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)cc1I 1901945354 ATAQSCKXTKWTGZ-CQSZACIVSA-N 449.716 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC 1922056858 GHHZRJDDGGXSAE-MVERNJQCSA-N 446.632 4.526 30 10 IJEE CC(C)[C@H](C#N)SCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1928795491 XTTBXHGJLWUIQW-VXKWHMMOSA-N 438.549 4.650 30 10 IJEE CC[C@@]1(NC(=O)OC(C)(C)C)CCCN(c2cc(Br)c(C#N)cc2F)C1 2118192955 VGIUMGNPXSZRNH-LJQANCHMSA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(Nc3ncc(Br)cc3C#N)CC2)C1 2162302387 DJFOJFGLKLPPGE-UHFFFAOYSA-N 435.366 4.697 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CC(=O)C#Cc1ccccc1Br)C(F)(F)F 2227472112 LBUKLHDGFLJYCF-OAHLLOKOSA-N 434.252 4.558 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2235723279 BLQJFQPRFIVYJE-NSHGMRRFSA-N 435.406 4.862 30 10 IJEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2F)OC1(C)C 2241479769 AMBRFMISQVGTCC-UHFFFAOYSA-N 445.343 4.968 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2246714000 BCMKJAITAUZDDT-FGZHOGPDSA-N 432.605 4.542 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C1(B3OC(C)(C)C(C)(C)O3)CC1)CC2 2255822518 MWWIQGMUDUODBZ-UHFFFAOYSA-N 428.338 4.549 30 10 IJEE C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266996075 FCEMSFXZEKJEDL-SFHVURJKSA-N 448.397 4.846 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2267573557 KRCLGLNXWXRQII-ROUUACIJSA-N 442.365 4.795 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](N)c2c(F)c(F)c(Br)c(F)c2F)C1 2267838116 NKFMEQWFTSGVGV-CQSZACIVSA-N 439.247 4.619 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCC[C@]1(C)NC(=O)OC(C)(C)C 2296215951 GANQZNQMSKJZRP-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C(C)(F)F 2296222413 RNBCKLPDGYSXNS-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)C#Cc2cccc(Br)c2)C[C@@H]2CCCC[C@@H]21 2296231303 CCTKVHQJTAMYTN-SGXKBVARSA-N 432.358 4.843 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C 2296289191 PALUZDGZYYHGFU-JXFKEZNVSA-N 445.348 4.717 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2296302871 OXTBUALYNRGPNA-OALUTQOASA-N 435.406 4.814 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1C 2296604918 GPIRFCWEXVACIT-HXUWFJFHSA-N 438.867 4.580 30 10 IJEE C[C@@H](Oc1ccc(C=C2SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1)C(=O)O 2313565246 VBXAYTXBHNGJLZ-SNVBAGLBSA-N 437.304 4.737 30 10 IJEE Cc1c(C(=O)C=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)oc2ccc(F)cc12 2314432770 GLXCFWXMOFLWPY-UHFFFAOYSA-N 425.437 4.684 30 10 IJEE CCc1nnc(SCc2ccccc2Cl)n1N=Cc1cc(OC)c(OC)cc1OC 2318571463 LEOOBBXPDYEZJY-UHFFFAOYSA-N 446.960 4.694 30 10 IJEE CCOc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccnc2)C4)cc1 2321973347 ZSPNGTIWHPAQHG-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(S)n1N=Cc1ccc(OCc2ccccc2)cc1 2322095793 ZDPDDVOZADITIF-UHFFFAOYSA-N 445.504 4.527 30 10 IJEE Cc1ccsc1C=C1Oc2c(ccc3c2CN(C[C@@H]2COc4ccccc4O2)CO3)C1=O 2322234661 SSEYDLCNAYFVMH-MRXNPFEDSA-N 447.512 4.665 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(C=CC(=O)c2ccc(Cl)cc2)cc1OC 2323789889 FLQPTLYBHNFOIS-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COC(=O)c1sc(NN=Cc2cc(Br)ccc2OC)nc1-c1ccccc1 2323840505 LERUYCLZNIQXDJ-UHFFFAOYSA-N 446.326 4.814 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324455378 BRBBHXWUWHZZLP-INIZCTEOSA-N 433.460 4.927 30 10 IJEE COC(=O)c1ccc(C=C2Oc3cc(OCCOc4ccccc4F)ccc3C2=O)cc1 2324850957 BJGDFBDBVHZPDN-UHFFFAOYSA-N 434.419 4.686 30 10 IJEE COc1cccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)c1 2325578426 VEGARWYFEAZVOU-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c1 2325726790 BOZCABJHASWHIN-UHFFFAOYSA-N 428.488 4.695 30 10 IJEE CCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2325997517 IPHHPMJSNNPHKP-UHFFFAOYSA-N 444.944 4.636 30 10 IJEE CSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1cn(C)c2ccccc12 2326489546 CSCOFPFGYRDKDW-UHFFFAOYSA-N 425.945 4.915 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc(F)c1 2326661089 VZYKMJVEJYFQOP-UHFFFAOYSA-N 426.517 4.945 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)c1 2328648553 TUQSTFUWYCIMHV-UHFFFAOYSA-N 432.549 4.882 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3)n2N=Cc2ccco2)cc1 2329898453 HTZHOLRLQXRBQD-UHFFFAOYSA-N 435.465 4.533 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccn2)cc1 2330643071 MUDGAOJCSJPTEK-UHFFFAOYSA-N 442.548 4.516 30 10 IJEE CCOc1cc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc([N+](=O)[O-])c1OC(=O)COC 2331652875 UKVALSRHCPLFNZ-UHFFFAOYSA-N 441.480 4.675 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2F)cc1C 2331673946 JUSRMTYLOXBIBK-UHFFFAOYSA-N 443.523 4.910 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652820 IPXVNSJXNISSII-DNQXCXABSA-N 435.417 4.768 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2358672114 SGPLNINHMFZMLG-DOADOZAASA-N 433.390 4.567 30 10 IJEE COc1ccc([C@H]2C3=C(C[C@H](c4ccc(O)c(OC)c4)CC3=O)Nc3onc(C)c32)cc1 33321107 UGXMQJVKAXFANB-QMHKHESXSA-N 432.476 4.664 30 10 IJEE CCCOc1ccc(/C=N/Nc2nnc3c4cc(Br)ccc4n(C)c3n2)cc1 64981243 AQYXMZOAJOWSKQ-WSDLNYQXSA-N 439.317 4.514 30 10 IJEE O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccnc1)c1c([nH]n(-c3ccccc3)c1=O)N2 98036744 XMWGMWBAHLJWKB-HRAATJIYSA-N 440.528 4.580 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccc(O)cc2)c1 169962744 UFEODSIAWJAYOO-XMMPIXPASA-N 429.472 4.508 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)cc1C 170049627 VMXDBXBGEJKKKS-XMMPIXPASA-N 441.483 4.858 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2F)cc1 170072087 PVAOYUZCWLSMMX-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170096823 XBSAATKFAYKSMS-NRFANRHFSA-N 437.879 4.763 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@H]3c3ccc(O)cc3)oc12 170132888 CVJUAOKOCADQDB-QFIPXVFZSA-N 441.439 4.930 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccccn3)oc12 170168209 IQDRSOTYPIFQHH-FQEVSTJZSA-N 446.484 4.676 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)cc1C 170176358 NMNFAEQMQODYMO-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1ccc(OCC)cc1 170213756 CTZRCLIUHRWQDB-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC)cc1 170215824 JOYZVLDMNYSHSE-MWTRTKDXSA-N 435.520 4.787 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc2ccccc12 170220986 ZKNGLZFYXXQVEA-HSZRJFAPSA-N 429.472 4.599 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2ccccc2)cc1OC 170224005 IDNRUVBPQWLNLZ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(OCC(C)C)c3)=C(O)C(=O)N2Cc2ccco2)o1 170306946 OEPJRCKYYKBISS-QFIPXVFZSA-N 435.476 4.994 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C)o2)cc1 170308574 ULXFUKQXNZNVCY-QFIPXVFZSA-N 441.524 4.772 30 10 IJEE C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccc2ccccc2c1 253560197 AMSIFMXNUPHQRW-UHFFFAOYSA-N 432.524 4.832 30 10 IJEE O=C1C(=NNc2cccc3ccccc23)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 254380718 KQEKOZKZFPKCIW-UHFFFAOYSA-N 435.443 4.967 30 10 IJEE O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NNc2ccccc2)cc1 254678846 UXFHEDDANZZMRB-UHFFFAOYSA-N 447.472 4.962 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1)c1ccc(F)c(F)c1 477191392 IMKDHMVFHUYXIB-UZUQRXQVSA-N 430.495 4.805 30 10 IJEE C[C@H](N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1F 479522254 AGWBZKZFGHXOCG-DYZYQPBXSA-N 431.227 4.863 30 10 IJEE C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@@H]3C[C@H]12 504240379 ZXKJZOJZCOHWGC-KWVKCVPZSA-N 429.004 4.776 30 10 IJEE biogenic C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCc5cc(OC)c(OC)cc5[C@@H]4C)[C@@H]3C[C@@H]12 504379504 RTGZNAKHJPYKJA-HDZKPKITSA-N 439.596 4.937 30 10 IJEE biogenic CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])o2)c1 526514180 CTGRPEHJRFFSOY-NRFANRHFSA-N 431.404 4.515 30 10 IJEE O=C(CCC1CCCCC1)NC1CCC(OS(=O)(=O)c2cccc(Cl)c2)CC1 586507661 NPVULHMAENJVFQ-UHFFFAOYSA-N 427.994 4.833 30 10 IJEE Cc1ccc(S(=O)(=O)OC2CCC(NC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 586510787 ZYKOXMABQPFOIY-UHFFFAOYSA-N 442.364 4.748 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCO[C@@H](c4ccc(Cl)cc4)C3)c2C#N)C1 603900927 HQIRWRQMUVCJMJ-MGPUTAFESA-N 444.000 4.800 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3O[C@@H](C)c3ccccc3)cc2C1=O 604289555 JMXSZPIIAVXRGW-KRWDZBQOSA-N 426.472 4.861 30 10 IJEE COCCOc1ccc([C@H](C)NC(=O)c2ccccc2Oc2ccccc2C#N)cc1OC 611492449 BQONIXQUVIMRPI-SFHVURJKSA-N 446.503 4.875 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 731399826 GEQCWCYMZJMITR-IAGOWNOFSA-N 432.590 4.849 30 10 IJEE C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1=S 732186531 JHBSSPNZQRZZDJ-FQEVSTJZSA-N 446.064 4.729 30 10 IJEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 735968850 BWDFNEJDJGTBBR-QGZVFWFLSA-N 435.883 4.678 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cccc(-c2csc(C)n2)c1 745672308 GNKUYRJAGYOSRE-INIZCTEOSA-N 449.532 4.619 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)/C=C(\C)c1ccccc1C(F)(F)F 759237706 LIEGMLPFMSYREL-TYZQSYOASA-N 446.425 4.822 30 10 IJEE O=C(OCC(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 768958236 SDADQXHVBQUHKC-LLVKDONJSA-N 425.247 4.796 30 10 IJEE CC(C)(C)OCC[C@@H]1NC(=O)N(c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O 804200577 NUPGKBVXOOTJLG-ICSRJNTNSA-N 425.916 4.625 30 10 IJEE CCOC(=O)c1ccc(N=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 1084354756 GMSXPBUWWOLOIW-UHFFFAOYSA-N 432.476 4.640 30 10 IJEE C#CCN(C(=O)c1ccc2cc(C)ccc2n1)[C@@H]1CCOc2ccc(Br)cc21 1126227641 CJFNCDDGYOWYNN-OAQYLSRUSA-N 435.321 4.905 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCSc3ccc(C(=O)OCC)cc32)cc1OC 1128129543 BMBJDGWPWIDTDG-XFFZJAGNSA-N 439.533 4.589 30 10 IJEE Cc1c(NC(=O)COc2cccc(Br)c2C#N)ccc(Br)c1F 1130819562 BLYGRJTZEHIFEI-UHFFFAOYSA-N 442.082 4.548 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2ccccc2)[C@H](CCC)C1 1137819158 LIIQDWZFFRPWDB-XMMPIXPASA-N 444.579 4.564 30 10 IJEE C#CCOc1ccccc1NC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1154541672 PQIIAUBNKJOMMS-FQEVSTJZSA-N 434.492 4.519 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@]2(C)Cc2cccs2)nnc1-c1ccco1 1157735586 IJEOJLYLVPBYOU-QFIPXVFZSA-N 442.610 4.892 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 1158884342 TVJAVROJNGDJTG-PBHICJAKSA-N 434.968 4.985 30 10 IJEE C=C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1167008746 ZOVKXQMDYDVZIT-OKZBNKHCSA-N 426.479 4.508 30 10 IJEE C#CCN(C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCc2ccccc21 1176451267 ADSSUERUBHMBQN-WIYYLYMNSA-N 448.788 4.855 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3cc(Cl)cc(Br)c3)CC2)OC1(C)C 1176611501 LZMCXSYSTQTHJM-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)CC(=O)OCc1ccccc1 1219084634 TYCBCGZJCKYXAG-OAHLLOKOSA-N 447.329 4.657 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)nnc1-c1ccco1 1274032187 CDIVSTPAVIFROE-PMACEKPBSA-N 436.581 4.906 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCCO1 1286279727 XDRZKOXWDFQITA-BJLQDIEVSA-N 430.980 4.715 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CCCC1 1286293343 NWWBEVLDXUTMOL-WOJBJXKFSA-N 443.636 4.821 30 10 IJEE C#CCN(C)c1nnc(CCCc2ccccc2)n1CCc1ccc(Br)s1 1286379214 KCIMIJYISLDSEK-UHFFFAOYSA-N 443.414 4.590 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C)c(OC)c1 1286400501 AYCKAHPBZUKTFR-GOSISDBHSA-N 444.604 4.570 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(Cl)s1 1286436654 QIYCMBGLVULDRG-UHFFFAOYSA-N 435.778 4.930 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)c1ccccc1F 1286436795 WFOCZRURJGNBIP-UHFFFAOYSA-N 444.352 4.612 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1286539381 YLVZOKROOXSDOZ-MRXNPFEDSA-N 436.423 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC12CCOCC2 1286568208 QVNIJOKGVFSPDJ-MOPGFXCFSA-N 428.552 4.776 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCc2sccc2C1 1286618634 DMSPNPDHGYMQRY-UHFFFAOYSA-N 441.988 4.914 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 1286658910 CDHXAFDWBSPPJU-UHFFFAOYSA-N 429.996 4.870 30 10 IJEE C=CC[C@H](Cn1c(N2C[C@H](C)C[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1286680821 FMPKYWMIWKEWPR-YWDMUFDYSA-N 438.616 4.772 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1286693193 MZXVOFIKQVNUMF-FXAWDEMLSA-N 429.996 4.843 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286745301 SUQDXXDIOWNWET-UHFFFAOYSA-N 443.567 4.572 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[C@H]1C 1286764967 IDGBLNLXBXXIHU-SJLPKXTDSA-N 433.394 4.783 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1[C@@H]1C[C@H]1C(C)C 1286766539 TWNPXUVWOBNQOV-UONOGXRCSA-N 425.396 4.625 30 10 IJEE CC(C)N(CCn1c(CC2CC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C 1287967789 CZWABUFWDSTFQN-UHFFFAOYSA-N 432.616 4.515 30 10 IJEE C=C(C)C[C@H](NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)OCC 1288353882 AORDPUCRSXICJX-YOEHRIQHSA-N 436.961 4.631 30 10 IJEE Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H](C)Oc1ccccc1F 1290768643 FSVALWFEZVZXBG-NSHDSACASA-N 440.363 4.514 30 10 IJEE C[C@@H]1C[C@H](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1291020323 DOEGDVHVUCZQFH-RCCCMVMJSA-N 443.636 4.532 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(OC)c1 1294239286 OBPGOFNIFWUCLE-OAHLLOKOSA-N 427.339 4.646 30 10 IJEE C=CCC[C@H](NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C)C(=O)OCC 1298019729 AVAFTHJEZQAYDP-QFIPXVFZSA-N 436.508 4.651 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1300339666 QSAITEAIWKACHA-YADHBBJMSA-N 433.600 4.967 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1300373159 QEQLNDIIRUXPEI-QHCPKHFHSA-N 446.599 4.569 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](c1ccco1)N(CC)CC 1300446747 RYKOHXWQUUUCRF-LJQANCHMSA-N 446.382 4.997 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)ccc1F 1300517099 XPJHFXLLGFMHCJ-INIZCTEOSA-N 436.531 4.531 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCCCCC1 1300892752 VFFOKIZHYHUKEX-RDGATRHJSA-N 438.616 4.824 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1301158568 IYJIRRFQTNPEPQ-PZAJFPQUSA-N 430.618 4.667 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](CC)O[C@H](C)C1 1301197923 SIKLBYJTMRTXJG-AABGKKOBSA-N 447.624 4.710 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1301218829 VTRKJLPETFYNBO-VXKWHMMOSA-N 434.588 4.737 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC)CC1 1301241064 MNJHHSQUIOLICS-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCC3(c4ccccc4)CCOCC3)cc2)nc1 1310210777 HDLCXIXECDDHDU-UHFFFAOYSA-N 428.492 4.615 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCSCc1ccccc1C#N 1310862511 LILNMOPUFPJVBU-UHFFFAOYSA-N 446.370 4.940 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 1310863554 NACBNGFFSHNARD-DOMZBBRYSA-N 437.256 4.635 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1)c1ccc(Br)cc1 1312937811 SZDXPMKDJPEECF-RTBURBONSA-N 431.305 4.818 30 10 IJEE C#CCC1(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)CCCCC1 1313133955 WYQYBPFWWINAHG-IZZNHLLZSA-N 445.607 4.689 30 10 IJEE C=C(C)[C@H](CC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OCC)OCC 1349921402 HYYRJBLDEFNTON-KRWDZBQOSA-N 444.553 4.795 30 10 IJEE Cc1ccc(C2=NO[C@@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)cc1 1351075634 HPASGQUXHLTGET-RUZDIDTESA-N 425.488 4.772 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(OC)ccc2OCC(F)(F)C(F)F)c(OC)c1 1353762556 JDGLMVBJZFQWEY-UHFFFAOYSA-N 428.378 4.931 30 10 IJEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1358906583 MQEVQLVDCKXDQO-KRWDZBQOSA-N 436.478 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1359096795 HEZNRYMBBSXPIE-OFNKIYASSA-N 440.588 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCc2ccccc21 1359107450 MKWFTCGGARXFIQ-GJZUVCINSA-N 438.616 4.841 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1359111211 SCSZUMCTZGRONG-QFIPXVFZSA-N 445.489 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ncccc1N(C)C 1359111591 GRVBMBVDXYTBLI-UHFFFAOYSA-N 443.555 4.512 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CC(=O)NC(C)(C)C 1359117066 BOWIFUHLRVTVSK-KRWDZBQOSA-N 448.011 4.615 30 10 IJEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(=O)NCCCC)CC1 1359142525 KBBIVVCUHXLQIO-OAQYLSRUSA-N 444.023 4.705 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(CC)CC)nc2)CC1 1359175133 AKYZXCGGSSXCNA-UHFFFAOYSA-N 441.583 4.509 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(C)ccc2OC(F)F)CC1 1359179948 LYBWEKJPAFLGPG-UHFFFAOYSA-N 439.510 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1359184695 XCYCQABBPPNJCW-HZPDHXFCSA-N 433.394 4.924 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](C)C1)c1ccccc1 1359196209 ZJWJVKHEVIKMKL-LVCYWYKZSA-N 437.613 4.607 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccsc1)C1CC1 1359250819 UWLAHHNPIZSRBB-GOSISDBHSA-N 443.617 4.657 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1359890025 GXQSGFBFKHZSMT-RUZDIDTESA-N 432.572 4.501 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)C1CC1 1360466258 BIMFAZKOPPQSCR-ASSNKEHSSA-N 429.977 4.713 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1OCC 1443148659 AVDNTAOWFAWHRJ-AWEZNQCLSA-N 447.757 4.822 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 1452652057 BGRYQYSAMXFFTC-HNNXBMFYSA-N 425.316 4.500 30 10 IJEE C#CCN(C(=O)c1ccc(-c2ccc(C=O)cc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1455811170 NDSYWRWLKXOIAK-UHFFFAOYSA-N 446.547 4.641 30 10 IJEE C=CC[C@]1(C(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)CCCN1C(=O)OC(C)(C)C 1460856450 WVRUWXSTQMVQRF-UMEGOILYSA-N 428.573 4.745 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC 1462944721 LVFOPCINJUWUNS-UHFFFAOYSA-N 449.878 4.583 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)nnc1-c1ccc(Cl)cc1 1463004691 HNULGPWXPVSBMU-INIZCTEOSA-N 449.020 4.587 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)c(Cl)c1 1463192513 HIBVGHSJZUPCIS-UHFFFAOYSA-N 434.851 4.761 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)c1 1467490028 AAZYKAFPATVURT-OAQYLSRUSA-N 440.507 4.732 30 10 IJEE N#Cc1c(F)cccc1SCC(=O)N=c1sccn1Cc1cccc2ccccc12 1473036944 DAZGGVAGQNZAKY-UHFFFAOYSA-N 433.533 4.981 30 10 IJEE C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(N2CCNC2=O)cc1 1474188829 CKCKAOMODWDJMX-IBGZPJMESA-N 426.520 4.518 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1475107579 FRXBRKFHVWONBW-RDJZCZTQSA-N 428.863 4.845 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@](C)(C(F)(F)F)O1 1475957360 HZKIBQSCXMHWPS-HXUWFJFHSA-N 434.418 4.709 30 10 IJEE CCN(CC)CCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1501943890 ADSPFJQFYFILNL-AREMUKBSSA-N 445.615 4.664 30 10 IJEE COCCC1(Cn2c(-c3ccc(OC)cc3)nnc2N(C)C[C@@H](C)C#N)CCCCC1 1504767338 FRHNCIVINHZVQV-IBGZPJMESA-N 425.577 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCC[C@H]1OC 1507518990 OWJZSVXQZURIFY-NSXLHWASSA-N 431.584 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)N1CCC[C@H](C)C1 1507522283 UVOLTUUZRGWYOO-ZWKOTPCHSA-N 445.558 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1CN(C)C(C)C 1507819856 WDWPUXKMPCSYAS-QHCPKHFHSA-N 425.621 4.811 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCO[C@H]1c1ccccc1 1507826128 GQWXGUYDQAUUKB-NOZRDPDXSA-N 431.584 4.834 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)N(CC)CC)CC1 1507882778 WHBKPEIDWHJUKK-UNMCSNQZSA-N 425.621 4.922 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2C(F)(F)F)CC1 1507889367 OTGSSDNGGWXVNA-UHFFFAOYSA-N 433.503 4.857 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)COc2ccccc2OC)CC1 1507902613 LOBUAWUOYOEXLC-LJQANCHMSA-N 426.605 4.993 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1507917912 XRLSHCNRHCCCCH-PMACEKPBSA-N 445.652 4.915 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(F)c(C)c1 1507928664 ITCWXAUJPHUBFJ-UHFFFAOYSA-N 439.535 4.684 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1507934569 FGSZWHNLJBESPZ-HSZRJFAPSA-N 438.616 4.758 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1507952331 QFJHIULVNFJWEY-MRXNPFEDSA-N 427.549 4.572 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](c1ccsc1)N(C)C 1507976754 GXKVPPCZMPGWLR-GOSISDBHSA-N 446.418 4.694 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(F)(F)F)c1)C1CC1 1507993241 JEBRMMWMATUGJN-IBGZPJMESA-N 436.478 4.664 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](C)N(C)C 1508009497 QGDYIRSBZFEENT-FQEVSTJZSA-N 435.641 4.952 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1508017895 XGMXIUVOQXFIOR-PMACEKPBSA-N 429.609 4.788 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)c1c(C)noc1C 1508020560 IWKRURZNUCSVNL-KRWDZBQOSA-N 430.556 4.937 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](SC)C1 1508104556 LSAVSYAMFDIATQ-OAQYLSRUSA-N 449.624 4.984 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(SC)CCC2)C1 1508125834 GGZKJPJKSVAEQP-IBGZPJMESA-N 449.020 4.578 30 10 IJEE C=CCOc1ccc(CN(C(=O)Cc2c(C)nn(-c3ccccn3)c2C)C(C)(C)C)cc1 1517424465 BJCQIKKEYJRSII-UHFFFAOYSA-N 432.568 4.819 30 10 IJEE C#C[C@H](NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccc(Cl)cc1F 1525069249 CXSRNVKPAWASCW-NRFANRHFSA-N 431.898 4.910 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)cnc1OCC1CC1)c1ccc(Cl)cc1F 1525069541 DXQMILLBBGZLFW-KRWDZBQOSA-N 437.696 4.530 30 10 IJEE CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)Nc1cccc(C#N)c1Br 1529123956 GOUWXAACAFPAIR-JKSUJKDBSA-N 446.301 4.523 30 10 IJEE C=CC[C@]1(C(=O)N2CCN(C3CC3)c3c(C)cccc32)CCCN1C(=O)OC(C)(C)C 1529383748 SPVAFRGSVQUWBS-RUZDIDTESA-N 425.573 4.656 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(CC=C)c3ccccc3)ccc2Cl)C1 1533311989 CMSCQELIQWYBOX-SFHVURJKSA-N 444.984 4.760 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(F)c2I)c1 1536870264 DAUGAWRFPZZGIV-UHFFFAOYSA-N 445.231 4.852 30 10 IJEE C=CCN(C(=O)c1sc2ncccc2c1Cl)[C@@H](Cc1ccccc1)C(=O)OCC 1538618177 DVMAUFHAQRHIMT-KRWDZBQOSA-N 428.941 4.752 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1539132921 DCJIOYVJXQLLIG-HSZRJFAPSA-N 446.599 4.777 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[C@@H]1CC 1539251741 OOMYMEXVNHTDQM-RBBKRZOGSA-N 434.584 4.640 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1539382973 VUHULEUEOHOTDU-LAUBAEHRSA-N 433.021 4.744 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(CCC(C)(C)C)CC1 1539506746 XCRRQFSPLBWVGC-UHFFFAOYSA-N 446.064 4.523 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCc1ccc(Cl)s1 1539559180 XMQHHGRTAFDSRF-JOCHJYFZSA-N 428.964 4.958 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1539686180 LQOGDGRZSRPLIZ-HNNXBMFYSA-N 430.325 4.745 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539722773 KTWSFOJHSLYLAW-BBWFWOEESA-N 439.551 4.654 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(COC)CC1 1539778553 CZRXIUUEXWYIMZ-UHFFFAOYSA-N 439.991 4.968 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1539888119 LNNMEIAOGOMRSU-RBBKRZOGSA-N 443.661 4.719 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)(C)C)CC1 1539921010 OOOHOVDZPXGUHI-UHFFFAOYSA-N 431.575 4.670 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN(C(C)C)C1 1540127569 VMYJDECQAAROST-HSZRJFAPSA-N 432.616 4.597 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1ccc(C)cc1 1540184226 BBDMDYWNZLERBZ-HXUWFJFHSA-N 430.556 4.619 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1540920491 XFWJPSCSHZABQM-OALUTQOASA-N 430.593 4.932 30 10 IJEE C=CCCC[C@@H](C)NC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1546145072 ASWMUYBATADWFE-OAHLLOKOSA-N 441.984 4.862 30 10 IJEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCc1nc(C(C)(C)C)cs1 1555037494 AFKIHCKFTWVTRL-INIZCTEOSA-N 438.601 4.546 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C 1557510572 NXQJZTALSZZEPZ-UXHICEINSA-N 434.552 4.754 30 10 IJEE C#CCC1(NC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)CCCCC1 1558515072 ZOMOWLQIIQJEBM-UHFFFAOYSA-N 431.602 4.714 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](Nc2snc(Cl)c2C#N)C1=O 1559185655 AGTWSYKSVDDSAF-CYBMUJFWSA-N 439.766 4.655 30 10 IJEE CC(C)COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccco1 1559735197 HGGLWHNBTHWXIM-VQIMIIECSA-N 429.586 4.670 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1 1559932250 CZUCUMSJDGDJBK-SFHVURJKSA-N 447.608 4.708 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1 1561221155 WJLACIPDBBLREW-UHFFFAOYSA-N 439.920 4.503 30 10 IJEE C#CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1 1562129494 MTCSPAYHAVENCT-FQEVSTJZSA-N 448.906 4.869 30 10 IJEE CC[C@H](C)Sc1ccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)c1 1562290152 FBAYQZMGJSTLIZ-BXWFABGCSA-N 432.590 4.766 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC(Cc3nc(-c4cc(C)ccn4)no3)CC2)c1 1562324681 ZFHQIIYCLWLWHU-UHFFFAOYSA-N 447.539 4.882 30 10 IJEE COc1cc(NC(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)c(F)cc1C#N 1563098681 AEIPWVLBMBYFPI-QGZVFWFLSA-N 433.915 4.889 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 1565767584 OFVXUIWAVLSPLE-UHFFFAOYSA-N 428.554 4.536 30 10 IJEE C#CC1CCN(C(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1 1570659463 NAJLWIICZSDYNS-UHFFFAOYSA-N 425.554 4.566 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1cccc2ccccc12)[C@H](Cc1ccccc1)C(=O)OCC 1585020199 HPFLNDJXVYVLJW-HYBUGGRVSA-N 431.532 4.796 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](CCC)OC 1587585610 CMKWWLLMBKQROW-HIFRSBDPSA-N 439.785 4.634 30 10 IJEE 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C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C2CCC1(C)CC2 1722555492 LJUGVJNOPGSNJS-UHFFFAOYSA-N 436.000 4.666 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CCC)C1 1722586508 HOULJIXKLSDWGZ-JOCHJYFZSA-N 434.588 4.738 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722602357 YFPXZZRAIZNEHU-FQEVSTJZSA-N 439.585 4.653 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H]1C 1722603448 JGZSSZZXRWSOKH-RBUKOAKNSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(C2CCCC2)CC1 1722607047 YRSHQNAWWMKLOB-UHFFFAOYSA-N 437.632 4.977 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722611784 BJEGRXBOFMDCLN-LJQANCHMSA-N 439.995 4.690 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1722681420 SRCBPVURVLZWEG-QHCPKHFHSA-N 435.616 4.625 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[C@@H]1C 1722690942 NOOVLWPXQASCGL-ZGXWSNOMSA-N 429.609 4.663 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722738393 IOUDDUPNSRCNOJ-UHFFFAOYSA-N 430.666 4.516 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCC[C@H](O)C1 1723390063 BJTMJFZUIYLNLI-GMAHTHKFSA-N 448.615 4.598 30 10 IJEE CCC1(Cn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)C[C@H](C)C#N)CCC1 1727349439 BBNPGMZFJMXVRD-OAHLLOKOSA-N 446.393 4.892 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCSC1(C)C 1740541521 AVDLJMJOWWMWTG-IEBWSBKVSA-N 442.629 4.731 30 10 IJEE C#CCCCCn1c(N(C)Cc2ncc(Cl)n2C)nnc1C1(c2ccccc2)CCC1 1740580001 QCWHVBSMBUHAJO-UHFFFAOYSA-N 436.991 4.575 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@H]1CC 1740675594 SPMZBMQBKJJIFX-AABGKKOBSA-N 429.609 4.636 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)SC 1740776639 VWPBTXYNTRWUFT-OAHLLOKOSA-N 439.423 4.774 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 1740801700 FQMQQQNOCYHUDR-NVXWUHKLSA-N 447.992 4.706 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(OC)CCCCC2)CC1 1740835928 KLGVULJEBIQVFA-UHFFFAOYSA-N 448.409 4.787 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740847097 WZCDVMPCHMERGX-FQEVSTJZSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740852775 SMBFYABMYXJZAF-RTBURBONSA-N 429.584 4.517 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1740865158 JYLFICMVIRYHSX-UHFFFAOYSA-N 432.355 4.984 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1740868287 IEOXITGCWXBSEI-PGRDOPGGSA-N 428.552 4.919 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1740870038 HQLQEGDHVCGOAV-LJQANCHMSA-N 445.405 4.927 30 10 IJEE C=CCn1c(CC2CCCC2)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1740948302 LRYKUNPZSQOHHM-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ccsc2)C1 1740972326 GVDDAOUAQDHJEB-PKOBYXMFSA-N 442.560 4.643 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)c1ccccc1 1749380927 BEKRJKLVDUFMGB-KNZHSQOXSA-N 438.616 4.926 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1749565387 LDIWSQQEWNTFJR-HXUWFJFHSA-N 437.588 4.771 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCCC[C@@H](COC)C2)cc1 1749684272 UVCKMMYAPIGFIG-OAQYLSRUSA-N 436.556 4.713 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCN1CCC 1760099931 OEALBHATZJBDLM-RDPSFJRHSA-N 444.627 4.685 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC[C@H](C)C1 1760107635 VZGKHPDTLCOOAC-OALUTQOASA-N 444.023 4.577 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1760136136 CQNHDOVNQUQETK-PMACEKPBSA-N 427.618 4.781 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCC1CC(OC(C)(C)C)C1 1760222841 ALLSHRMIJJHFIA-UHFFFAOYSA-N 448.611 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccnc(OC(F)F)c1 1760330708 CJHSXRBLOCBRKR-UHFFFAOYSA-N 427.499 4.955 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC(C)(C)C1 1760415262 SHRUOLCPPMHLLA-QGZVFWFLSA-N 429.634 4.744 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760415387 XHEIOAZFSQZDKG-FQEVSTJZSA-N 428.625 4.526 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1760426595 YEPNWMUIEXONFL-INIZCTEOSA-N 425.508 4.699 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)CN1CCCC1 1760481370 URPFWVIJGKYJTK-HSZRJFAPSA-N 437.632 4.834 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)c(Cl)c1 1760491845 WLDMSPDDYXGXSH-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2c(C)noc2C)C1 1760537381 MXRGOJNWEVQDKS-INIZCTEOSA-N 448.354 4.686 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC(F)(F)F 1761518450 GIQBRSCYYIQIIO-NSHDSACASA-N 440.363 4.898 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccoc1 1761645033 GITGYKUHVRXZCW-ZHRRBRCNSA-N 443.910 4.772 30 10 IJEE CCCN(CCC)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1764352707 DFYAJNICLGWJPT-BGYRXZFFSA-N 440.661 4.659 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 1772790418 OCEBHTIRWLXPAK-LJQANCHMSA-N 442.254 4.868 30 10 IJEE CCCCCCCCn1cc(O[C@@H](CCc2ccc(C)cc2)C(=O)O)c(=O)cc1C(=O)O 1857891015 JBRHBCIYHGHMJB-QFIPXVFZSA-N 443.540 4.680 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)C24CC5CC(CC(C5)C2)C4)CCO3)c1 1858461435 LROBEYCGJFBPAE-UHFFFAOYSA-N 441.531 4.752 30 10 IJEE N#Cc1ccccc1NC(=O)Oc1ccc(CNC(=O)CCn2ccc3ccccc32)cc1 1858912999 LKEVZSQUBTVMQR-UHFFFAOYSA-N 438.487 4.830 30 10 IJEE N#Cc1ccc(NC(=O)c2nn(CCO)c(-c3cc(Cl)ccc3Cl)c2Cl)cc1 1859390513 CGGJTPRITKXTLT-UHFFFAOYSA-N 435.698 4.627 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)ccc1O 1862386084 FJEPHZZOXNVVBQ-IBGZPJMESA-N 448.302 4.838 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(OC)c(O)c2)cc1 1862396116 DUPKEWDUXMSQFF-HSZRJFAPSA-N 437.536 4.978 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2ccco2)cc1 1862417912 ARQHZFYRYYIABW-NRFANRHFSA-N 439.414 4.735 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1c(F)cc(F)cc1F 1862457452 PKNUEZPVJILWFR-IBGZPJMESA-N 431.341 4.615 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(F)cc2)cc1 1862661365 FEBLUARMCDTHKH-QHCPKHFHSA-N 447.510 4.814 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862741436 RNHXDLSOYDQFRT-IBGZPJMESA-N 438.823 4.620 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2ccccc2)c1 1862746409 FVORXRBCSDKEGC-QHCPKHFHSA-N 442.471 4.724 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 1862749325 VZVHRXCKTLFFIO-RFVSGWPVSA-N 438.455 4.891 30 10 IJEE CCCCCCCCNC1=C(c2ccc(OCC)cc2)C(=O)N(Cc2ccncc2)C1=O 1863563041 JHORJXBXJBYZGX-UHFFFAOYSA-N 435.568 4.711 30 10 IJEE CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCC3)cc2)cc1 1870141068 YCNIBAZPORNKCQ-OVCLIPMQSA-N 440.551 4.689 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)Cc2ccc(C)c(C)c2)cc1 1870152397 PZQHJKPSIAHAME-UHFFFAOYSA-N 431.540 4.896 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CN(CCCC)CCCC)cc1=O 1870388051 FMLORSBDPISBLB-UHFFFAOYSA-N 442.600 4.903 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2ccc(CCCC)cc2)cc1=O 1871006113 PVLUYXOPTXKENH-UHFFFAOYSA-N 437.628 4.937 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)O/C(=C\c1cccc(OC)c1)C3=O 1871349595 YHGBKZWMLBHCHA-JLPGSUDCSA-N 436.552 4.585 30 10 IJEE COc1ccccc1-c1coc2cc(O[C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2c1=O 1871436036 KQAWQGIQHDOZHG-MRXNPFEDSA-N 440.455 4.746 30 10 IJEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)/C(=C/c1cccs1)O2 1871440504 SJMUOKQSJMNIFW-ZDLGFXPLSA-N 427.428 4.968 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(=O)(=O)CC 1871795219 KXWCMZNUDDBJSB-SFHVURJKSA-N 427.353 4.511 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871871941 AGQFYGFWZAQGSP-HXUWFJFHSA-N 438.952 4.709 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)C1CC1 1871946406 COOAZPYVGVLFDE-GOSISDBHSA-N 433.401 4.861 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1872172638 QVZFSCJIMUNWJU-HXUWFJFHSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(C)(=O)=O 1872203367 BUOBBSGWDWWEGD-QHCPKHFHSA-N 428.598 4.853 30 10 IJEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(N(CCC)CCCC)ncnc21 1873562132 OSUQJGAVZSGILV-UHFFFAOYSA-N 431.584 4.832 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1cc(OC)cc(OC)c1)n2CC(C)C 1873656656 GHLXQJDPJCTDQT-UHFFFAOYSA-N 449.555 4.535 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3C)n2/N=C/c2ccc[nH]2)cc1 1874293263 UUNCYMVKVBMCMO-AFUMVMLFSA-N 433.537 4.677 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(Cl)cc1 1874511625 HOOYAXANBOPEOJ-FOKLQQMPSA-N 431.924 4.807 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2ccc(OCC(=O)OCC(C)C)c(Cl)c2)c1 1874619085 IYFCUKGVFLRGSP-VMPITWQZSA-N 432.900 4.831 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-])Nc1ccccc1F 1874625329 XVQQFSBSXRIHCL-VZUCSPMQSA-N 438.386 4.787 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2ccc(OC(=O)COCCOC)c(OCC)c2)cc1 1875107767 ICDWZBRHKJVCCT-GXDHUFHOSA-N 440.536 4.892 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cccs2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1875146478 WGYNAYLZTIOFCA-ZZXKWVIFSA-N 437.429 4.543 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 1891216237 RYENKXBJVHOMPH-UHFFFAOYSA-N 429.973 4.797 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 1926492536 LIYIJJQGDKNQLC-HJPURHCSSA-N 431.533 4.586 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)c1 1951533077 REOKKVZNQBLNRY-ZEQRLZLVSA-N 438.483 4.607 30 10 IJEE CC(C)(C(=O)O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccnc1C#N 1952452016 FCSSTKMKCBFJKU-QHCPKHFHSA-N 441.487 4.644 30 10 IJEE Cc1cc(C#N)cc([C@@]2(C(=O)O)C[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1952772846 QCRXNHUQWIXCOO-SQHAQQRYSA-N 438.483 4.500 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 1990169360 JMKOFOOZEOFPJT-NHCUHLMSSA-N 434.646 4.869 30 10 IJEE CC[C@@H]1[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[C@]1(C#N)NC1CC1 2058747921 XWHZWUYLFKPNBB-OZNIXHKMSA-N 430.640 4.824 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2ccc(Cl)cc2Br)NC)C1 2077087964 OFNPZTGINHBGTN-MRXNPFEDSA-N 429.786 4.847 30 10 IJEE N#Cc1cc(Br)ccc1O[C@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2162006298 NVAISGNAPRWAHO-PZJWPPBQSA-N 430.298 4.682 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC(=O)Nc2ccc(C#N)cc2Br)C1(C)C 2186208408 AXGVRYHWNDRQDI-CZUORRHYSA-N 436.350 4.589 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1ccccc1Cl 2245957945 KPRQOWASHIPPSQ-JTSKRJEESA-N 427.928 4.759 30 10 IJEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)C3CCC3)c(Cl)c2)OC1(C)C 2247985864 NPAKOQLYJCEMGL-UHFFFAOYSA-N 425.765 4.834 30 10 IJEE C=C(COCc1ccccc1)[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)OCCC(=O)O 2262205363 LIIOYXDUOFAURW-QFIPXVFZSA-N 447.572 4.657 30 10 IJEE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2267118586 ZSLAPTYCKLKLHH-HDICACEKSA-N 444.381 4.864 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C1CC(B3OC(C)(C)C(C)(C)O3)C1)CC2 2267583724 VREHLNMNXTUPFT-UHFFFAOYSA-N 442.365 4.795 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)ns2)OC1(C)C 2282010988 BSKFUVAGKOZEOO-UHFFFAOYSA-N 433.553 4.655 30 10 IJEE C[C@@H]1[C@H](C(F)(F)F)N(c2c(Br)cccc2C#N)CCN1C(=O)OC(C)(C)C 2285225618 BWULOFTURSDBID-IAQYHMDHSA-N 448.283 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@H](N)CC#CC1CCCC1 2289846875 DKTLDIKRXYOSEG-WOJBJXKFSA-N 435.406 4.796 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2296273634 QHOPEHUUYGRKNC-OXJNMPFZSA-N 435.406 4.672 30 10 IJEE O=C(O)c1cccc(N=C2SC(=Cc3ccc(O)c(O)c3)C(=O)N2C2CCCCC2)c1 2314548592 VUCZUUDWOFDUPH-UHFFFAOYSA-N 438.505 4.733 30 10 IJEE C=CCCN(Cc1ccccc1)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 2317354691 RDDZBMHULGBNET-UHFFFAOYSA-N 432.295 4.982 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2321106693 CJYUPHRPTXUFGX-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](C#N)(N(C(=O)OC(C)(C)C)c2cccc(C)c2)C1 2321270802 AIOFEMBDZGOJSR-CYFREDJKSA-N 445.560 4.655 30 10 IJEE CCOCCOc1ccc2c(c1C)OC(=Cc1cc(Br)ccc1OC)C2=O 2321903920 RUDBBMVTQFRBFS-UHFFFAOYSA-N 433.298 4.798 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])NC1CCCCC1 2323766935 UOYFUFFGJDIFPE-UHFFFAOYSA-N 442.899 4.972 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1 2324014802 BWGUUDUVNOISIR-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2324412401 QLPYNAOTTDPXTA-INIZCTEOSA-N 443.455 4.746 30 10 IJEE CCOCCOC(=O)CCOc1ccc2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325108145 XAHQBJOEMYARMB-UHFFFAOYSA-N 449.503 4.626 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)o1 2325382719 HFNMGQKEGDWPIR-UHFFFAOYSA-N 433.460 4.636 30 10 IJEE OCCCSc1nnc(COc2ccc(Cl)cc2Cl)n1N=Cc1ccccc1 2325910562 CDVMOUKTTQOIIT-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(O)c(OC)c1 2326541094 RUQJLTCWGFQQKX-UHFFFAOYSA-N 446.960 4.917 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccccc2)cc1 2330647984 VELDRRBYXQQNPJ-UHFFFAOYSA-N 427.533 4.867 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(F)(F)F)cc1O 2331155095 WPKNNTPKMUVYCK-UHFFFAOYSA-N 428.823 4.536 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccccc1O 2331320286 UDWAGVQPODRMBN-UHFFFAOYSA-N 437.569 4.556 30 10 IJEE Cc1cc(CC(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)ccc1F 2331396978 VLAJSVGWZDGQDT-UHFFFAOYSA-N 432.447 4.950 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N=Cc1ccc(F)cc1 2331636927 XHNGEXJGJKNESV-UHFFFAOYSA-N 425.533 4.545 30 10 IJEE COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cnc(C)cn1 2331885053 IUDIMSLUPDLOHA-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)CC(C)(C)C 2331894105 CVYUMMMRONYAAJ-UHFFFAOYSA-N 442.508 4.959 30 10 IJEE CCCN[C@H](C#CC1CCC1)c1cc(Br)ccc1I 2337433732 DBYBHXMYTUMWKD-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@](C)(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339588019 BOLCNJPJFJYTDM-KOSHJBKYSA-N 444.381 4.941 30 10 IJEE CC(C)(C)OC(=O)N1CC=CC[C@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339606821 WGSCKNSJNRHMLC-IBGZPJMESA-N 442.365 4.671 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CCC[C@@H]2N1c1cc(Br)c(C#N)cc1F 2355478348 UCCWGHZJWRAAGS-QEORTHHSSA-N 438.341 4.732 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3C[C@H]4CN(Cc5ccccc5)C[C@]4(C)C3)nc2)OC1(C)C 2365110624 SSKBSNGRANZBEK-ICIUZPRVSA-N 445.416 4.685 30 10 IJEE COc1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)cc1F 2377290589 KALZBPPUYOWYAK-INIZCTEOSA-N 436.281 4.998 30 10 IJEE Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3cc(C)ccc3C)c3ccccc32)cc1 3041496 GWNJSISSLIFGHF-VYIQYICTSA-N 428.561 4.849 30 10 IJEE CCN1C/C(=C/c2ccc3c(c2)CCCN3C)C(=O)/C(=C/c2ccc3c(c2)CCCN3C)C1 33247621 QHBSPRQDIHOKST-WTHRLWDASA-N 441.619 4.823 30 10 IJEE CCN(CC)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)OC(C)C)c3)NC2=O)cc1 33390127 SRAQRZRSSJOMJH-STZFKDTASA-N 437.565 4.990 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)cc1 33760237 ZMBOBAQZUOTWTE-HXUWFJFHSA-N 425.868 4.701 30 10 IJEE C[C@H](NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)c1ccccc1 100454210 VYYBPPBGOJQIGT-ZETCQYMHSA-N 429.229 4.762 30 10 IJEE Cc1ccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2nccs2)cc1 102696027 ZQEBLLGGILAWHY-GOBJLOIFSA-N 434.517 4.865 30 10 IJEE COc1c(Br)cc(/C=N/Nc2ccc(C)cc2)c(OC)c1Br 169877665 VVYDJTKSJNSXOT-DJKKODMXSA-N 428.124 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1C 169953479 WIRYSFGJWILBTQ-XMMPIXPASA-N 442.515 4.853 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169957631 VBLOAZMSRJLSKZ-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2ccc(O)cc2)c1C 169961046 KDHHIXWMJSUDIX-HSZRJFAPSA-N 443.455 4.521 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccn1 169991403 PNOZDACKSHYUBK-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccnc3)nc2c1 170014392 FXOCKLXHEONCIN-FQEVSTJZSA-N 444.878 4.703 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2)c1 170036354 NROSZBXBPMQEBJ-JOCHJYFZSA-N 444.443 4.776 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(C)c2)c1 170144709 DIUPSODXXMYONG-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccn1 170176233 YVCNJIGYMIMJGK-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2ccncc2)c1C 170203158 RASGJXWOFTXDAH-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCN(C)C)cc1 170244964 FXFUPSRKKBZCTJ-VWLOTQADSA-N 446.591 4.829 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccco2)cc1C(C)C 170295430 JFAZKAXRPIBIER-JOCHJYFZSA-N 441.524 4.805 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)c2cccc(Br)c2)nc2c(C)cccc12 170536791 SJXNTYKILJLIFT-UHFFFAOYSA-N 446.308 4.924 30 10 IJEE C=CCOc1ccc(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)cc1OC 438641498 MCNBIQKZAPBNKW-QGZVFWFLSA-N 432.314 4.618 30 10 IJEE C=CCN(C(=O)CCOc1cccc(Cl)c1Cl)c1nc(C(=O)OCC)cs1 501943143 AIPKMTZXSLBGJB-UHFFFAOYSA-N 429.325 4.615 30 10 IJEE C=CCN(C(=O)c1csc(-c2ccc(OCC)cc2)n1)c1nc(C(=O)OCC)cs1 501948896 RYRGPRIGYMLGJJ-UHFFFAOYSA-N 443.550 4.675 30 10 IJEE Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503021957 SUZDBCXGGLXAHQ-XMMPIXPASA-N 426.488 4.913 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 508508146 VQPZBHJFPFBNRR-PXNSSMCTSA-N 431.506 4.603 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(OCC2CCCC2)CC1 508736188 ZBVUTAAQMFXDMQ-GOSISDBHSA-N 428.552 4.919 30 10 IJEE C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 508847273 KBPGLVWTEPYJKT-PKTZIBPZSA-N 444.579 4.963 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](CC(F)(F)F)C1 508920118 SUXJAXZRAAJSGJ-LLVKDONJSA-N 433.247 4.811 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])o2)c1 526605741 FFNXRUHTWZJOAV-OAQYLSRUSA-N 431.404 4.515 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1cccc(F)c1 526827348 VVUASWZBZKZKLC-OYKKKHCWSA-N 426.517 4.721 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OCc3ccc(F)cc3)n2C[C@H]2CCOC2)CC1 559245701 PPJNNGZNKZPURG-OAQYLSRUSA-N 448.542 4.856 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(Cc1ccccc1)CC1CCOCC1 566825018 ZPKCBZDWMYMKKZ-DEOSSOPVSA-N 430.552 4.574 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C(=O)N4CCCCC4)CC3)c2)cc1 609209598 DGMKWLVAGJKVCJ-UHFFFAOYSA-N 432.524 4.607 30 10 IJEE N#C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)CCN1C1CC1 732696728 NCKJMUJGIUPOPF-QGZVFWFLSA-N 430.936 4.834 30 10 IJEE N#Cc1ccc(/C(O)=C(/C(=S)Nc2ccc(F)cc2F)[n+]2cc(O)cc(Cl)c2)cc1 762438282 MKWYWZAFWMHZOM-UHFFFAOYSA-O 444.870 4.806 30 10 IJEE CC[C@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)ccc1C)c1cccs1 762441099 VJQMROYWIPXSKC-IBGZPJMESA-O 436.582 4.873 30 10 IJEE C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 780744759 ZGZPAHKDRSOTDZ-OXJNMPFZSA-N 426.923 4.881 30 10 IJEE CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccccc1 787032765 GFERIOVBDRFVOJ-MANSERQUSA-N 430.426 4.665 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2)n1 1083888197 ZQJMXWMXFNDYDE-UHFFFAOYSA-N 446.989 4.747 30 10 IJEE COc1ccccc1CNN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1084462114 BZEXSXQBBIHRJR-UHFFFAOYSA-N 430.258 4.750 30 10 IJEE C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1156782540 KRRHNAISNSVHLK-FQEVSTJZSA-N 426.582 4.670 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cccc2c(C(=O)OC)cccc12)c1ccc(F)c(F)c1 1189413298 UCIPFPOCHOGFLE-NRFANRHFSA-N 431.460 4.500 30 10 IJEE C#CCN(C(=O)Nc1nc2c(s1)C[C@H](CC)CC2)C1CCN(C(=O)OC(C)(C)C)CC1 1204009926 ZEBLXZCLTBLEDB-MRXNPFEDSA-N 446.617 4.525 30 10 IJEE CCCC[C@@H](COC)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1204807762 HEFQTLOINSKWHB-HNNXBMFYSA-N 440.491 4.951 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@]1(C)Cc1cc(F)c(F)c(F)c1)C(C)C 1211221292 CJDKJPHNAUVHBT-ZJSXRUAMSA-N 437.550 4.909 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1)c1ccc(Br)cc1 1211981672 KTDZAPSJVMQXJH-QGZVFWFLSA-N 449.757 4.612 30 10 IJEE C=CC(C)(C)CNC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1215047559 JCZMTYSXTKWPPH-IBGZPJMESA-N 445.560 4.577 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1scc(C(=O)OCC)c1C(=O)OCC)c1ccccc1 1219817904 XCXYVARBERJBQJ-QGZVFWFLSA-N 430.526 4.931 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12)C(C)C 1221031553 FFEYNDWNAGBXET-UNMCSNQZSA-N 433.552 4.664 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 1230549274 GIPDOAKWXBHXPO-PKTZIBPZSA-N 431.536 4.826 30 10 IJEE C#CCN(C)CCCNC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 1251527977 BDAUEOLRQPYRPB-UHFFFAOYSA-N 433.474 4.595 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCC[C@@H]1C 1286272624 BJUQLWKVXKMGDH-DFFLPILJSA-N 428.989 4.822 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC(C)(C)[C@H]1C 1286316520 VVYRPCAGIGBHII-OAHLLOKOSA-N 449.368 4.654 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1CCC 1286440632 GRLHKNRQGICYQN-GOSISDBHSA-N 434.415 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCSC(F)(F)F 1286517440 VJQNWISUGAZAFB-QGZVFWFLSA-N 432.874 4.983 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cscn1 1286552333 PZMJMTAPTYLXOL-KUHUBIRLSA-N 447.967 4.812 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286554115 WUWRXJQBEMRNAM-KJNZLNQQSA-N 441.526 4.525 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@](C)(C#N)C1 1286620107 FZTAQTXOENMTFB-VGOFRKELSA-N 429.952 4.699 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC[C@H]2CCCCO2)CC1 1286643145 BOMGGXKZLNVLII-OAQYLSRUSA-N 440.588 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 1286676843 SSXYWRHTVRLUGC-JOCHJYFZSA-N 430.568 4.506 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C)c1ccccc1 1286677669 HHSBVMORGURJSS-QFIPXVFZSA-N 441.583 4.687 30 10 IJEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC2CCCCC2)CC1 1286689422 PEGWDIMWTMBOKT-UHFFFAOYSA-N 442.677 4.692 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CSCCS1)C1CC1 1286731832 GBWNFFINVRITDE-RDJZCZTQSA-N 434.606 4.561 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2F)n1Cc1ccc(OC(C)(C)C)nc1)C1CC1 1286735665 IZWAPSNRVWPROM-UHFFFAOYSA-N 435.547 4.783 30 10 IJEE Cc1nc(C)c(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)[C@@H](C)CC#N)s1 1290371080 GFEYBVIAGAWSMO-MAUKXSAKSA-N 438.601 4.895 30 10 IJEE CC[C@@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](CC(C)C)N(C)C 1291480574 DVMAIYOVLHSHAR-YKSBVNFPSA-N 434.632 4.933 30 10 IJEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C(CC)CC)no2)CCO1 1294065163 BANOLXGLBKSUND-NRFANRHFSA-N 448.571 4.762 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1300419225 IGXJZXXBMDCTTB-LJQANCHMSA-N 441.645 4.756 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC=C(C)C 1300564319 CPDDFJZEPIEVNX-UHFFFAOYSA-N 425.374 4.835 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@@H]1C(C)C 1300643803 USJWAPJMCMJFAD-NFBKMPQASA-N 436.531 4.687 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1Cc1cc(C)ccc1OC(F)F 1300918865 LHIYEOHQSHHFCX-UHFFFAOYSA-N 427.499 4.624 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OCC2CC2)CC1 1301019365 IDIGVIGRHNARCK-UHFFFAOYSA-N 438.906 4.694 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS[C@H](C)[C@@H]1C 1301238977 IXUBGNWKKCMSBM-RBUKOAKNSA-N 437.613 4.725 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H]1CCSC1 1301241915 ZHBGCRMCBQCJEZ-SFHVURJKSA-N 432.659 4.810 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCc2ccccc21 1301379486 MMCANCSFYPFQOK-SFHVURJKSA-N 434.975 4.623 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCC1 1301383089 FGRICHJYXYLYJY-HXUWFJFHSA-N 444.583 4.771 30 10 IJEE C#CCN(C(=O)CCCCOc1cc(C)ccc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1303656226 RQBWHDUWRSGRNO-UHFFFAOYSA-N 442.600 4.714 30 10 IJEE CCC(CC)c1cc(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)on1 1305713832 AZIQHQYHGQWXJA-HSZRJFAPSA-N 448.571 4.968 30 10 IJEE CC(C)[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCN1Cc1ccccc1 1307167552 FXLYKTGDLCECAU-SANMLTNESA-N 427.596 4.831 30 10 IJEE CN(CCC#N)CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 1307509146 AMTAGEGNCNHJIW-UBBTUAOMSA-N 448.517 4.933 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn12)c1ccc(C(F)(F)F)cc1 1309335759 VKCSBVLGTLUSET-OAHLLOKOSA-N 443.878 4.992 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 1310196933 YPUHXOUJYJUDGN-UHFFFAOYSA-N 447.457 4.764 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc2n1 1311237973 SATKXRUWIDELRH-UHFFFAOYSA-N 441.482 4.614 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cncnc1-c1ccccc1 1352320763 YQVJJTMCSYUVPB-UHFFFAOYSA-N 426.289 4.874 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(OCC#N)c1)c1ccc(C(F)(F)F)cc1 1354077365 ABMODLYEXZFVSX-SFHVURJKSA-N 449.429 4.812 30 10 IJEE C=CC[C@]1(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1355698096 IERXVHVSSYRHFL-OAQYLSRUSA-N 442.478 4.546 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1csc(CC)n1 1358986501 XZFVWRYXVAZOAJ-FQEVSTJZSA-N 447.608 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCC=CO1 1359066934 VHXAJOWYGLHESD-PGRDOPGGSA-N 441.373 4.701 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2CC)nnc1N(C)Cc1ccoc1 1359103281 MHDCBWJUBXUOMV-XUZZJYLKSA-N 436.556 4.630 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N(CC)C1CC1 1359105011 ITOFLXGAPYSKNA-HTAPYJJXSA-N 428.602 4.549 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1scnc1C 1359222331 FWJGMDQJTDWCSX-UHFFFAOYSA-N 448.596 4.796 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCC(C)(C)C1)C1CC1 1359248177 CUOJOWISQKEFAY-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1OCCC1(C)C 1359260785 OEPLHVKSPGMXGP-LEWJYISDSA-N 428.552 4.667 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C)(COC)CC1 1359309320 ORZIKXHZIJCUEF-UHFFFAOYSA-N 436.556 4.713 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1360465886 CKXMKGCJRHEICL-AEFFLSMTSA-N 439.610 4.741 30 10 IJEE C=CCc1cc(C(=O)N[C@H](C)c2ccc(OC)cc2Br)cc(OC)c1OC 1435672708 KSEMOARMNYWAJH-CYBMUJFWSA-N 434.330 4.694 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC)c1ccc(Cl)cc1F 1436654317 ZIEHTULOODFBMF-OTWHNJEPSA-N 432.879 4.533 30 10 IJEE C=CCn1c(SCC(=O)N2CCSC[C@H]2C2CCC2)nnc1-c1ccc(Cl)cc1 1436915639 VIBFQBXXFYQHGL-SFHVURJKSA-N 449.045 4.621 30 10 IJEE Cc1ccc(Sc2ccc(N3CCN(C(=O)c4ccc(C#N)c(O)c4)CC3)cc2)c(C)c1 1456171994 HTCVCZTWCLHIJD-UHFFFAOYSA-N 443.572 4.994 30 10 IJEE C=CCCC1(CNC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCCC1 1470074499 FXZYNYUPDOQHAL-UHFFFAOYSA-N 439.625 4.832 30 10 IJEE C[C@@H](Sc1nccc(-c2ccc(Br)cc2)n1)C(=O)Nc1ccccc1C#N 1473055792 HHZGEFWUEBIBDB-CYBMUJFWSA-N 439.338 4.897 30 10 IJEE CCCN(C)C[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C1 1473203623 HDRJQKOAPVBVOQ-MOPGFXCFSA-N 444.689 4.763 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 1475881797 OXQAEUXFAFAPLS-UHFFFAOYSA-N 433.618 4.707 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](N(C)c2ccccc2)C1 1476730061 VYJQZXDCIXOXSC-SFHVURJKSA-N 430.346 4.757 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCN1CCC(C)CC1 1507601684 ILAFIWIJTPTCEY-FQEVSTJZSA-N 444.023 4.653 30 10 IJEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC=C(C)C)CC1 1507734721 VAMCLQNODUOGAO-UHFFFAOYSA-N 447.627 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1Cc1nc(C)c(C)s1 1507770666 WIJTUYCPXKRQIC-JOCHJYFZSA-N 441.988 4.624 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOc2ccc(F)cc2)CC1 1507889976 JIKIWESIZOMBOH-FGZHOGPDSA-N 442.579 4.961 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1507914351 IGWGWLPVRDYTFB-UHFFFAOYSA-N 445.970 4.513 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1oc(CC)nc1C 1507995865 DCTAVQYAALGKEO-UHFFFAOYSA-N 437.588 4.975 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1CCC(OC)CC1 1508027060 XWGLTQZWQBDCNI-NSQNTRMNSA-N 438.616 4.612 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC[C@@H](F)C2)C1 1508114573 LCHJGPSHKDYQLS-GMLUQMLDSA-N 448.970 4.991 30 10 IJEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(CC(C)C)C1 1513987036 HEODHQFPGABHBP-ODGPQVTHSA-N 434.632 4.810 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 1515034855 DSVBPVNKBWQQAE-MCEYFSPLSA-N 449.551 4.695 30 10 IJEE C=CCC[C@@H](NC(=O)COc1c(Br)cc(C#N)cc1OCC)c1ccccc1 1519372934 GARGDGGVKPXXCR-LJQANCHMSA-N 443.341 4.922 30 10 IJEE C=CCN(CCOC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1520128693 DYJPOLNIWSEVKL-UHFFFAOYSA-N 440.341 4.576 30 10 IJEE C=CCN(C(=O)c1ccc(OC(F)(F)F)c(C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1522164998 FCODXIXNBXJSHC-IBGZPJMESA-N 435.442 4.696 30 10 IJEE C=C(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1 1523233037 PZTHVHDZOQJNRM-UWJYYQICSA-N 432.898 4.904 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)c(C#N)c2[C@@H]1C 1527534998 HDSPOKIKYFGNSS-CHWSQXEVSA-N 436.986 4.761 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1)c1ccc(Cl)cc1 1528061058 KYKRLHAYKJRICZ-HSZRJFAPSA-N 429.907 4.979 30 10 IJEE C#CCN(C(=O)CCOc1ccccc1CC)[C@H]1CCOc2ccc(Br)cc21 1529627588 RCQNYGBKZJAPFK-FQEVSTJZSA-N 442.353 4.766 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)ccc1Oc1ccccc1 1529906429 CPADRJDNZFBICT-INIZCTEOSA-N 433.414 4.620 30 10 IJEE Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 1529906566 DTPUFOWWHIKAAX-HSZRJFAPSA-N 425.488 4.902 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@@H]2C2CCCCC2)nnc1-c1ccc(Cl)cc1 1531453551 KPRDBYBMRLURPB-MOPGFXCFSA-N 431.005 4.962 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 1531579215 FTCAOALRCIKGBQ-UHFFFAOYSA-N 435.307 4.598 30 10 IJEE O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cn(-c2ccccc2C(F)(F)F)nn1 1533914259 HQFQVTHUVHFVQF-AWEZNQCLSA-N 446.326 4.849 30 10 IJEE Cc1cc(C(=O)NCC(C)(C)c2ccc(Br)cc2)nn1-c1cccc(C#N)c1 1533929447 GMKBHASKOUBVPW-UHFFFAOYSA-N 437.341 4.523 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)c1ccccc1 1534343673 BZJRRJJFLADHKG-LJQANCHMSA-N 432.611 4.606 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1537491462 GJEBUDOWAJDQDG-HNNXBMFYSA-N 441.231 4.786 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccccc2C)cn1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618023 BTLVLMRLTAWCNB-DEOSSOPVSA-N 444.531 4.985 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@@H]1CC 1538971100 FZNRJQLUPVJMQW-WWNPGLIZSA-N 437.632 4.757 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCC1CC(OC(C)(C)C)C1 1539289022 LGEUHOUKTGZFPG-UHFFFAOYSA-N 448.611 4.531 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(OC)c1 1539305058 NROSXHLPMPVNHT-IBGZPJMESA-N 444.604 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C)C1 1539624329 SBNIEBKTEJQMML-FIKGOQFSSA-N 430.980 4.825 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1 1539624701 UYWNBLGBARUJCF-GHTZIAJQSA-N 444.023 4.500 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 1539828934 PQNQPGNTSQSEQN-UHFFFAOYSA-N 434.561 4.933 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539860003 ZVXTYKFQCOUAGL-DEOSSOPVSA-N 426.630 4.976 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCCS2)CC1 1539870918 CJNIKFKXWHXGCJ-OAQYLSRUSA-N 439.629 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1539921271 UCAURBAFBWZVKZ-ROUUACIJSA-N 430.543 4.612 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CC(C)(C)N1CCC(OC)CC1 1540128107 YLEXFHBCJYQIDI-UHFFFAOYSA-N 439.648 4.658 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CC1(C)CCOCC1 1540128192 JTLSVDXDJMUQBO-UHFFFAOYSA-N 447.608 4.811 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC[C@H]1CCO[C@@H](C)C1 1540133063 BEGNGWBYQYFILD-PMACEKPBSA-N 435.547 4.877 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC1C[C@H](C)O[C@@H](C)C1 1540134549 UNRBIDRXOCUOTF-OALUTQOASA-N 435.547 4.875 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](SC)C(C)(C)C 1540154111 PJDDREUDKIZJHN-MRXNPFEDSA-N 438.439 4.992 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCO[C@H]1C(C)C 1540174493 MZINWCHMAHFOTP-RDGATRHJSA-N 433.600 4.911 30 10 IJEE C=C(CCC(=O)OC)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1540372100 IOVNRFSACLLIKG-UHFFFAOYSA-N 437.927 4.661 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CCCN1C(=O)OC(C)(C)C 1540459686 SIUZMNVAGQHWFH-VWLOTQADSA-N 429.605 4.837 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C(F)(F)F)CC1 1540855121 BAMHXAPDDBWSKO-UHFFFAOYSA-N 429.284 4.981 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCS2)C1 1540884396 OQWGVMBPHCKICQ-NSISKUIASA-N 449.020 4.748 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)cc2OCC2CC2)C1 1540893286 ZPVWJQPPLOSCKF-JOCHJYFZSA-N 438.616 4.794 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NCCc2ccccn2)cc1)c1ccc(Br)cc1 1556781605 JSZHFWNKSPSZRN-JOCHJYFZSA-N 434.337 4.603 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1559517965 FVWGQGCCBUOMKM-OAQYLSRUSA-N 442.332 4.643 30 10 IJEE C=CCOc1c(Br)cc(CNCc2noc3ccc(F)cc23)cc1OCC 1560563099 UKXLSJJLKLTZJB-UHFFFAOYSA-N 435.293 4.983 30 10 IJEE C=CCc1cc(CNCc2ccc(Br)c(Br)c2)cc(OC)c1O 1560602012 XOWRKTMISOCDCU-UHFFFAOYSA-N 441.163 4.944 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(OC)ccc1OC(F)F)c1ccc(Br)cc1 1562193570 FTURGFVFZARUJB-AWEZNQCLSA-N 425.229 4.555 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N(CCO)C2CCSCC2)cc1Cl 1562207088 AURUZPKHTGIGPN-FQEVSTJZSA-N 429.973 4.717 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1cc(Br)ccc1Cl 1562441344 YICYZYLCNWIVTL-UHFFFAOYSA-N 425.685 4.918 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccc(Cl)cc1F 1568898257 OTYRTUNCLIHZOJ-PBHICJAKSA-N 439.701 4.630 30 10 IJEE C#C[C@](C)(CC)NC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1569253507 HZPADYNQZIQDDI-JLCFBVMHSA-N 425.579 4.604 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1ncc(C)s1 1587932538 VKEGGNGUTOOXDG-OAHLLOKOSA-N 425.627 4.914 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC1(CC)CCOCC1 1588288561 BXVTZBTYLJBSJS-UHFFFAOYSA-N 448.567 4.783 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1593718334 UXJVCUANJFRIJM-MNZLEMJZSA-N 449.368 4.674 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC=C(Br)C1 1593722231 MMJDOUCFXOZYBR-UHFFFAOYSA-N 437.769 4.680 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1594102400 LFVSUTNFMSQBGW-UHFFFAOYSA-N 431.437 4.627 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1594511436 QTVJWXIVJJKWJT-UHFFFAOYSA-N 449.643 4.504 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1595200315 AIIZMECSUGUBFZ-VWNXMTODSA-N 431.584 4.938 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1595239743 RFIOVIOTCQSUMM-SMIHKQSGSA-N 438.616 4.816 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCC(CN(C)CCCC)CC1 1595369618 SXSXIMNGROTGJW-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)c2nccs2)C1 1595705751 DPCPWLSBVQKHPM-JKSUJKDBSA-N 429.977 4.640 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 1596511660 RSMCRIBEBVGQDR-RTWAWAEBSA-N 444.934 4.991 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(C(=O)N(CCC)CCC)c1)c1ccc(Br)cc1 1596984759 GMWYVVOEHXABEV-OAQYLSRUSA-N 441.369 4.816 30 10 IJEE C=CCC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O)c1ccc(C(F)(F)F)cc1 1597057503 HUTSYXRVXACPAC-YWZLYKJASA-N 444.453 4.822 30 10 IJEE CCCCn1c(S[C@@H]2CC[C@@H](C#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1613122748 AXTNUCCDRWGDQO-QZTJIDSGSA-N 446.642 4.795 30 10 IJEE COc1cc(CN[C@@H](C)c2ccc3nc(O)oc3c2)ccc1OCc1cccc(C#N)c1 1620466459 HBSSXAIELXPUPH-INIZCTEOSA-N 429.476 4.843 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1ccc2c(n1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 1622912619 DGUQZFDHXVKUQJ-MHZLTWQESA-N 440.547 4.835 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1OCc1ccccc1 1624991526 BBSKWJSSGVDQQB-IBGZPJMESA-N 425.529 4.849 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Br)o1 1625172306 OMFGYSQZJCQXMU-KRWDZBQOSA-N 431.330 4.563 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@@H]3CCCN3Cc3ccccc3)c2)s1 1631890248 HIPQQVLVLRNBRL-QFIPXVFZSA-N 430.577 4.751 30 10 IJEE C=CC[C@]1(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CCCN1C(=O)OC(C)(C)C 1636250802 SPPXFWGTXGYYKV-WMZHIEFXSA-N 434.964 4.586 30 10 IJEE C[C@H](NC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F)[C@@H](C)c1ccccc1C(F)(F)F 1638491021 CUQPPZNNXBOXBF-SOZUMNATSA-N 436.371 4.869 30 10 IJEE N#Cc1ccc(OC2CCC(Nc3ncnc4cc(F)c(Br)cc34)CC2)nc1 1642444640 GBNZBQGFLYPVIY-UHFFFAOYSA-N 442.292 4.600 30 10 IJEE CCc1ccccc1O[C@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccccc1 1642903142 BHLBUDMYHVAXBM-SANMLTNESA-N 443.522 4.729 30 10 IJEE C#CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@H]1CCc2ccccc21 1644410641 GEMUBPJASMEEFW-QHCPKHFHSA-N 429.589 4.912 30 10 IJEE C=CCn1c(SCc2ccn(CCc3ccccc3)n2)nnc1-c1ccc(OC)cc1 1651596832 PETLGOXIAATDMR-UHFFFAOYSA-N 431.565 4.871 30 10 IJEE C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1653307034 HAVDSCGVJFQRAP-QRWLVFNGSA-N 444.000 4.943 30 10 IJEE CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1ccccc1F 1654239630 ICRCXPUKTXDYJY-UHFFFAOYSA-N 434.515 4.969 30 10 IJEE C=CCCC[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1 1654659432 ANINFIYJIZMVDD-WIYYLYMNSA-N 445.485 4.980 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(Cl)c(F)c2)nc2cc(Cl)ccc2c1=O 1655984027 DQVLHTYVZTUMOS-UHFFFAOYSA-N 438.311 4.759 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2c(F)cc(O)cc2F)cc1OCC 1657030859 AVNIOHINNXZCMQ-UHFFFAOYSA-N 442.300 4.729 30 10 IJEE Cc1nsc(N2CCN(C(=O)Nc3ccc(Cl)cc3-c3ccccc3)CC2)c1C#N 1660796467 HAGVAENFSNLKIV-UHFFFAOYSA-N 437.956 4.998 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 1666342443 DSKJHCYFDVAJTM-NHCUHLMSSA-N 438.503 4.612 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)c1cc(F)c(Br)cc1F 1667558402 ADAWQEHEWMQQOY-JTQLQIEISA-N 427.220 4.761 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 1668101827 OEUYFFBYEBANEN-HXUWFJFHSA-N 430.612 4.807 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cccc(N4CCCCCC4)c3)CC2)c1 1668664961 FNHQQJHTZUSRSO-UHFFFAOYSA-N 431.584 4.725 30 10 IJEE COc1cc(Oc2ccccc2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1670125998 HBHCOAGVMLGOAR-UHFFFAOYSA-N 444.535 4.955 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(Cl)c1 1674764349 VAUHOBHTMZLYDK-SFHVURJKSA-N 431.964 4.822 30 10 IJEE CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C 1680142708 FEPUNGRLYYHZIG-NRFANRHFSA-N 430.593 4.809 30 10 IJEE C=CCC[C@H](NC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br)c1ccccc1 1680581179 QUZWDKCZQLACFN-LEWJYISDSA-N 447.373 4.840 30 10 IJEE C#CCOc1ccc(CNC(=O)NCC2(c3ccc(Br)cc3)CCCC2)cc1 1684899460 HVVPRFJUELHIGY-UHFFFAOYSA-N 441.369 4.772 30 10 IJEE N#Cc1ccc(CN2CCCN(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)CC2)cc1 1686504658 AOWPWMBVRUDLLC-QHCPKHFHSA-N 440.950 4.719 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCc1ccc(Cl)s1 1690084221 XINIMEXXMOAERF-UHFFFAOYSA-N 428.989 4.891 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H]1C 1690253334 OYVBIHVNMHNGEG-FBAVSBLXSA-N 430.980 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1690264066 OMUULXICWHTVII-UYAOXDASSA-N 431.625 4.984 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@](C)(OC)CC1 1690279307 AAHHXHJHUHZLKT-OAQYLSRUSA-N 433.394 4.988 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1690304763 NJFKJISTEIKHHQ-QHCPKHFHSA-N 445.567 4.770 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCSC2)CC1 1690369658 SLROEOZOOMKSRL-GOSISDBHSA-N 428.602 4.652 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ccco2)CC1 1690402995 YBSCEYQLYVUWAD-UHFFFAOYSA-N 443.345 4.760 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1690450060 YRICFUOMCZFWOF-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690455819 OSBGDBAXEZXYOC-NRFANRHFSA-N 440.979 4.749 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]2c2ccc(O)cc2)nnc1[C@]1(OC(C)C)CCOC1 1690467970 NZEALMUBZQSYEP-RDGATRHJSA-N 440.588 4.722 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1690748747 GXFDMTWTDCAUPV-FQEVSTJZSA-N 442.658 4.504 30 10 IJEE CSC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@@H](C)CC#N)CCC1 1698359060 CZGBYKCQYWNWTM-AWEZNQCLSA-N 434.407 4.732 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC(C)(C)c2cccs2)c1 1705504365 UIABBBDVUUBASP-SFHVURJKSA-N 449.624 4.887 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCO[C@@H]1CCCC[C@H]1C 1705573866 PAMBQTBHJQPZSL-YFNKSVMNSA-N 448.611 4.703 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2Br)CC1 1705765603 UJDGOPJQZYNINI-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCCCCC2)CC1 1705772243 PHYCEBSPUJWWED-UHFFFAOYSA-N 441.645 4.611 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705823414 LDMJOHYYJURZHC-MOPGFXCFSA-N 428.602 4.551 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@]1(C)CCCS1 1705859932 KCZJCPRNSFOKAY-URXFXBBRSA-N 437.613 4.522 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[C@]2(CCCOC2)C1)C(C)C 1705867389 NBKWPAADXKIOFO-RPLLCQBOSA-N 449.643 4.651 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2sccc2C)C1 1705914397 ANBUWRMHDSORNE-ZWKOTPCHSA-N 442.560 4.757 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCCCC1 1709494664 BSHCNMAEOWHKHA-HXUWFJFHSA-N 438.620 4.618 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)C1 1710933377 AIMFVEXWNQWRLZ-DHIUTWEWSA-N 446.624 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCCN1CCCC[C@@H]1C 1722277188 KSZOFCYJQMXHAW-ACRUOGEOSA-N 441.595 4.670 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(-c2ccsc2)nc1 1722302457 IHAOQFYKSMZBJQ-QGZVFWFLSA-N 447.539 4.626 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCO[C@@H]1C(C)C 1722404134 RNCMQNSEKVGXLH-HYBUGGRVSA-N 448.567 4.638 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1722450964 DUBNASZZVYBZSN-HBFSDRIKSA-N 430.593 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(F)(F)F)cc1 1722471605 KODMVIBHNWBPLY-JOCHJYFZSA-N 425.458 4.708 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(=C)Cl)CC1 1722577348 DGLJCTRALBILGX-SFHVURJKSA-N 436.000 4.548 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1722583832 ZXCMSCXHIKWEEI-NLFFAJNJSA-N 440.588 4.616 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)c(C)c1)C1CC1 1722645327 IWDKTVKGEWMUKI-UHFFFAOYSA-N 430.325 4.686 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC[C@H]1CCO[C@H](C)C1 1722652395 FDWZQIIRGPSFGM-UXHICEINSA-N 435.572 4.680 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1CC1(c2ccc(F)cc2)CCOCC1 1722676889 NRLKSZUQOHWANQ-UHFFFAOYSA-N 438.547 4.556 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCc2cccc(C)n2)C1 1722713265 CMOVGJAOANAGHB-JOCHJYFZSA-N 437.975 4.716 30 10 IJEE CC(C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H](C)CC#N)c1cccnc1 1723123470 DHRLROXHPBBWDD-PGRDOPGGSA-N 436.535 4.569 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1OCC(F)(F)F 1726964186 BFSLUYHGZJIOJI-KKSFZXQISA-N 435.494 4.911 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC(C)(C)C(F)(F)F 1740545526 NSLWPAIHMSRNKS-GFCCVEGCSA-N 429.284 4.754 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740567095 NUUQIVBXBIYJHW-FPOVZHCZSA-N 440.563 4.614 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](c1cccnc1)C(C)C 1740610058 XXZMGDZOIXHJKD-OAQYLSRUSA-N 426.524 4.504 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCC[C@@H]1C 1740727939 GIHAENIZXLVBQA-ARBPTSGCSA-N 433.383 4.795 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1740782585 WMFHEBNHGWOIAO-AEFFLSMTSA-N 437.357 4.658 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@H]1C 1740788370 UGCIXNFXBNEFQM-HZPDHXFCSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1740846162 PDRIZYLWUOBXHK-UHFFFAOYSA-N 434.588 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740851055 PKPNUXNQAHTRQJ-DYESRHJHSA-N 430.543 4.755 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740859425 KLTSHTUYKLAADO-UHFFFAOYSA-N 438.645 4.613 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](CCOC)C1 1740866418 CXLQUCIGDISTIM-UXHICEINSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1CC[C@H](C)N1CCCCC1 1740918580 MGBSAGUKUMXYMG-UPVQGACJSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1 1740920679 TUWUWMMBHHMQOX-OAQYLSRUSA-N 437.588 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CCC(=O)N1CCCCCC1 1740922246 AHFUXEDNUSTKJL-LJQANCHMSA-N 429.634 4.838 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(=O)NC1CCCCC1 1740928119 VCAHHZDUDKDNCO-UHFFFAOYSA-N 435.616 4.870 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1741515960 BIJXBHCTDAYICU-ZEQKJWHPSA-N 446.599 4.788 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1748709471 WSSOCKUIDNTIHG-NQIIRXRSSA-N 428.367 4.640 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCc1csc2ccccc12 1748887134 UZPCBKMVABQSTA-UHFFFAOYSA-N 425.561 4.569 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2sccc2[C@H]1CC 1749101623 DHPFSWLCMZZLLQ-GDBMZVCRSA-N 437.407 4.656 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 1749219991 ZNYOQKONLUFPBP-WOJBJXKFSA-N 442.604 4.816 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[C@@H]2CCOC2)CC1 1749331779 XMUHYZOGBRHDAV-GOSISDBHSA-N 445.405 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCc1ncc(CC)s1 1749467551 SMZPPCZOYSODCO-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CSCCS1)C1CC1 1749508260 MRARGQBGROMHGU-BEFAXECRSA-N 434.606 4.561 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC[C@H]1CCO[C@H](C)C1 1749531611 NSGYGOFRPUMLGM-UXHICEINSA-N 430.556 4.543 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CCCNc1ccc(C(F)(F)F)cn1 1749548363 BIIZENOPNSZDPY-UHFFFAOYSA-N 436.507 4.757 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)CN1CCCC1 1749554068 NZHHETDKFYHCOZ-FQEVSTJZSA-N 443.661 4.548 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1Cc1ccc(N2CCCCC2)nc1 1749576843 YHEDRASBYSRFHF-UHFFFAOYSA-N 442.611 4.789 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 1749685558 GOZKXEHLVMKRJS-XZOQPEGZSA-N 438.616 4.733 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](c2cccnc2)C(C)C)C1 1749703455 IVYAWQVQZQTNER-RPWUZVMVSA-N 447.583 4.570 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F 1751086641 FLQHKCZVOTUZED-OAHLLOKOSA-N 448.518 4.570 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCSC1(C)C 1760210072 MAGQCDXTRYTZFR-OALUTQOASA-N 440.588 4.552 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(F)c(C)c1 1760290912 UGTBAXULQRMWGD-OAQYLSRUSA-N 442.336 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCSC1(C)C 1760336586 CNNPQLXTKKPIDL-PXNSSMCTSA-N 428.602 4.725 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760371528 CGVCPLRLCYWNMV-UHFFFAOYSA-N 433.261 4.699 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCC[C@H]2C)CC1 1760382332 ODYUTOWAICOHHA-RTBURBONSA-N 429.996 4.712 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(C)(C)O)CC1 1760398534 BNQBDRAMGKDVRS-UHFFFAOYSA-N 426.561 4.986 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(C)=O)C[C@H]1C 1760423041 PJKZIICMNTZXGI-ZWKOTPCHSA-N 441.645 4.545 30 10 IJEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1760441720 RVAMTLWNGSYUNQ-WIYYLYMNSA-N 435.399 4.864 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1CC1(OC)CCCCC1 1760487381 RLCRLRCXNDRYMI-UHFFFAOYSA-N 437.613 4.867 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1Cc1cc(C(C)(C)C)no1 1760496039 FVLINENGLHRLFV-UHFFFAOYSA-N 427.499 4.659 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Cl)c2)n1CCN1CCC[C@@H]1C 1760498556 VTHRLQWGVAOWPX-IBGZPJMESA-N 439.991 4.911 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2nc3cc(Cl)ccc3s2)C1 1760544363 YLNJGZSNEYKUSD-INIZCTEOSA-N 431.993 4.569 30 10 IJEE CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)c1nccs1 1765070654 BYOCWEKWWCVGRR-JENIJYKNSA-N 436.585 4.614 30 10 IJEE C=C(C)Cc1c(C)nn(CCC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1C 1860304618 UGPMYGYMWVUPMM-RUZDIDTESA-N 441.579 4.985 30 10 IJEE Cc1sc(-c2cccnc2)nc1-c1ccc2c(c1)oc(=O)n2C(=O)c1cccc(C#N)c1 1860480471 XUQWVDQBLNUZGU-UHFFFAOYSA-N 438.468 4.649 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)C(=O)Nc2ccc(I)cc2F)cc1 1860722492 HVSWVDZBYOLVAS-BJMVGYQFSA-N 437.252 4.775 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 1861887919 DALPASFUNYYVKZ-QFIPXVFZSA-N 448.954 4.689 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc3c(c2)CCCN3C)cc1C 1862408952 YKZYPZHGMGPZNA-DEOSSOPVSA-N 448.563 4.620 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1862451580 IYEXRIJCVUABSE-KRWDZBQOSA-N 440.710 4.872 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2CCOC(C)C)cc1 1862458163 HLCCVNBMJIKZRL-OAQYLSRUSA-N 447.453 4.670 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2Cl)cc1 1862476809 OTZULHAETOGJKC-NRFANRHFSA-N 435.911 4.514 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@H]2c2ccc(O)c(O)c2)c1 1862489528 XHFROUYZCFDRHI-HFXUHXBXSA-N 435.520 4.872 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Br)cc2)c1 1862496786 SWQGDGDTZORMOC-IBGZPJMESA-N 426.310 4.807 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1Cl 1862527405 WZCXMPQWESOWLQ-QGZVFWFLSA-N 432.701 4.867 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(C(=O)OC)cc1 1862536971 LADUDDATZMESBV-QFIPXVFZSA-N 435.520 4.804 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc2ccccc12)c1cccc(O)c1 1862592482 DNDCTUZXRWKPGB-HSZRJFAPSA-N 425.440 4.917 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2nc3ccccc3[nH]2)c1 1862673357 DDOPSZJGOIEHQZ-QHCPKHFHSA-N 441.462 4.789 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N(Cc2ccccn2)C1=O 1863287720 HTUWPEJHRDERSO-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCCCCCCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCN(CC)CC)C1=O 1863792990 XGUQAVPBRWCSLN-UHFFFAOYSA-N 431.596 4.506 30 10 IJEE CCc1nc(Nc2cccc(C#N)c2)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868268210 DHKUFTCYVYAQBK-UHFFFAOYSA-N 444.558 4.548 30 10 IJEE Cc1nncn1C1CCN(c2cc(Nc3ccc(C#N)cc3)nc(-c3ccccc3)n2)CC1 1868376668 QSILQFDAUGTMBX-UHFFFAOYSA-N 436.523 4.500 30 10 IJEE CCCCCCCCNC(=O)c1cn(-c2ccc(N3CCC(C)CC3)cc2)c(=O)cc1O 1870128081 CCIHUNJPFKHIOI-UHFFFAOYSA-N 439.600 4.870 30 10 IJEE CCCCCOc1cn(CCCOC)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870187756 DOBSXSJDHYFDGP-UHFFFAOYSA-N 443.613 4.938 30 10 IJEE C#CCOc1cn(Cc2ccccc2)c(CNc2ccc(Br)c(C)c2)cc1=O 1871006512 JSTJYSIFMVWXBF-UHFFFAOYSA-N 437.337 4.592 30 10 IJEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccccc1C 1871185367 KQIFXPFRSNHFNX-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 1871355398 JIVWLCLTYPLIQQ-YVNNLAQVSA-N 441.462 4.979 30 10 IJEE Cc1cccc(CN2CCN(Cc3c(O)ccc4c3O/C(=C\c3ccccc3)C4=O)CC2)c1 1871397608 CCQHUGIIYYYKBZ-ONUIUJJFSA-N 440.543 4.635 30 10 IJEE CCCCCCCCCCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871717274 MZVAQEZEFKTHPN-FQEVSTJZSA-N 440.636 4.954 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871804710 TVCYSZAQDLXTSO-INIZCTEOSA-N 440.487 4.526 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)S(C)(=O)=O 1871947787 KANYXWUKTKMSBG-SFHVURJKSA-N 427.353 4.511 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871979949 GOQQEDJNWVNDSL-QHCPKHFHSA-N 438.524 4.691 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(OC)cc1)[C@@H](C)CC)S(=O)(=O)c1cc(C)ccc1C 1872040304 LPZAWGQPDDKJKO-FDDCHVKYSA-N 444.597 4.542 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(Cl)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872246409 HSHJIKIZZMGFFA-RDTXWAMCSA-N 426.991 4.632 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1nnc(SCc2ccccc2C)s1 1873435124 BOVKPOOWSZVZFK-UHFFFAOYSA-N 427.551 4.721 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(Cc3ccccc3)cc2)cc2c(NCCOC)ncnc21 1873603501 DHEATPXUOARSSP-UHFFFAOYSA-N 441.535 4.519 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2)cc2c(N(C)CCCC)ncnc21 1873664907 DOSPXCDOBOXNAA-UHFFFAOYSA-N 434.588 4.952 30 10 IJEE CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccncc1 1874194336 JYDYQEASYSURMP-ZVHZXABRSA-N 425.558 4.552 30 10 IJEE CCOc1cc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SC)ccc1O 1874224983 MQIDKVDHOZEJPQ-BUVRLJJBSA-N 440.569 4.615 30 10 IJEE COC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1cccc(Cl)c1 1874283424 GUMBKAYPMXTYOE-FSJBWODESA-N 449.363 4.517 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@@H]2CCCO2)cc1 1874445260 CKEWRWCRVFCCCD-PGLVWIQMSA-N 426.517 4.842 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccc(F)cc2)c1 1874452748 KXMNEISRMFBMCI-AFUMVMLFSA-N 437.544 4.996 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1874617505 FORHBLTXHXHSSU-FMIVXFBMSA-N 444.487 4.803 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)CCc1ccccc1 1874706675 UJZIKMAYRIMMDW-YRNVUSSQSA-N 444.483 4.901 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1OC(=O)CCOC 1875145706 USKLUTVRERBILD-BQYQJAHWSA-N 432.900 4.894 30 10 IJEE C=CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2c(NCC(C)C)ncnc21 1875226513 IFQOQUGBZHKJQQ-UHFFFAOYSA-N 431.584 4.780 30 10 IJEE Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)cc1 1891254163 VUSLYVKDIIUVGL-UHFFFAOYSA-N 432.545 4.766 30 10 IJEE Cc1c(-c2ccccc2)oc2c(C(=O)NCC#CCN(C(C)C)C(C)C)cccc2c1=O 1891794099 HFVBEJKVRVZFQA-UHFFFAOYSA-N 430.548 4.620 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccc(Cl)c(I)c1 1900421053 IAQIPOUBBJXZPS-AWEZNQCLSA-N 449.716 4.526 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(COC)CCCN1C(=O)OC(C)(C)C 1922121818 ZSUOTTQITJBTGA-RCZVLFRGSA-N 432.605 4.544 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C2 2037726523 BDRNHCQHBRGUHM-JOCHJYFZSA-N 448.568 4.997 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(NCc2occc2B2OC(C)(C)C(C)(C)O2)cc1 2039819863 WJLMXKNSJHLPKG-UHFFFAOYSA-N 428.338 4.562 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2080000662 XVGHBSPLHJFMFW-QGZVFWFLSA-N 449.336 4.973 30 10 IJEE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)c1N 2080052440 AFVWXWCIOJMVAK-ZDUSSCGKSA-N 439.331 4.818 30 10 IJEE Cc1cc(Br)ccc1Cn1nc(C2CCOCC2)c(C#N)c1Br 2080338195 CMZGCKBDYZLCPO-UHFFFAOYSA-N 439.151 4.531 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(F)c1Br 2089289474 QPBUAMHYSPJTBR-WMLDXEAASA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 2174814182 FMVWWOVTMMCWCE-BEFAXECRSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)C2(CCCC2)C1 2179884474 SPQGAFDCBSGJOG-UHFFFAOYSA-N 438.341 4.830 30 10 IJEE N[C@@H](C#Cc1ccccc1Br)c1cc(Br)c(Br)o1 2220271110 YBCHQZLVTTYNPB-NSHDSACASA-N 433.925 4.619 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C 2235730466 VGRYTFDCXQCQHP-DOTOQJQBSA-N 445.348 4.669 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2235745486 CTUKYOBAJBJEFT-PKOBYXMFSA-N 433.390 4.568 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2235745489 CUFJELJGSJSVAI-PMACEKPBSA-N 435.406 4.862 30 10 IJEE C#CC[C@@H](C)C[C@H](NCC)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237406119 ZPSDWIAGODNQLW-LSTHTHJFSA-N 437.422 4.913 30 10 IJEE Cc1sc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c(Br)c1C 2237681140 WCRQIJNHZFVWKX-UHFFFAOYSA-N 436.180 4.679 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCC(C)(C)N(C(=O)OC(C)(C)C)C1 2261825861 IPCOOSVLAICKHI-RUZDIDTESA-N 447.572 4.799 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)CC[C@@H]1CC 2261959373 REETXSHWJBSCDR-SQJMNOBHSA-N 447.572 4.657 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2c(F)cccc2Br)NC)C1 2273835434 HANSUAQQAQEQKE-QGZVFWFLSA-N 427.358 4.580 30 10 IJEE C=CCCC1([C@H](NC)c2nc(CCC)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2281036590 AEYQATOQOUUCBV-MRXNPFEDSA-N 441.414 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@@H](N)C#CC1CCCCC1 2289688608 WARQYCMWMWFTMS-PMACEKPBSA-N 435.406 4.796 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C[C@@H](O)C#Cc1cccc(Br)c1)C2 2296229477 JYSPCGZPSJWCGT-UFYCRDLUSA-N 434.374 4.730 30 10 IJEE CC(C)(C)OC(=O)NC[C@](C)(C[C@@H](N)C#Cc1ccc(Br)cc1)C(F)(F)F 2296301705 YDRDDRLHNGQKJI-YJBOKZPZSA-N 449.311 4.611 30 10 IJEE Cc1cccc(C(=O)N2CCN(c3oc(C=Cc4ccccc4Cl)nc3C#N)CC2)c1 2297368245 LTJGCVVUAJISKE-UHFFFAOYSA-N 432.911 4.641 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2305315665 FIXITGUDIKBIIE-LRIWYSQZSA-N 428.573 4.601 30 10 IJEE C=CCN1COc2cc(C)c3c(c2C1)OC(=Cc1cn(CC)c2ccc(OC)cc12)C3=O 2322134417 HYXMCQKMQODWJF-UHFFFAOYSA-N 430.504 4.932 30 10 IJEE CC(C)Oc1cccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2)c1 2322236325 JEVXPLRUOSZPHO-UHFFFAOYSA-N 430.961 4.901 30 10 IJEE CCN(CC)C(=O)COc1ccc2ccccc2c1C=CC(=O)c1ccc2c(c1)OCO2 2322698393 MEWMOSUTLQOKGO-UHFFFAOYSA-N 431.488 4.712 30 10 IJEE COc1c(Cl)cc(C=Nn2c(S)nnc2CCc2ccccc2)c(OC)c1Cl 2323510682 CTJKTHNQNFAZRK-UHFFFAOYSA-N 437.352 4.558 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cc(OC)ccc2OC)C3=O)c1 2323792086 LIINTIOLTQIYTB-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE O=C(Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)c1ccc(OC(=O)c2ccco2)cc1 2323959271 OIELWGBQQGJYRA-UHFFFAOYSA-N 442.379 4.927 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)C=Cc3ccc([N+](=O)[O-])cc3)n2)cc1OC 2324372113 BZINNQXYGPHYJP-QGZVFWFLSA-N 435.461 4.625 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)c(OC)c1 2324946178 GVBGGMFVJRSEPB-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(C(C)(C)C)cc1 2325915164 CGAIOIIBWBKNBR-FQEVSTJZSA-N 447.608 4.696 30 10 IJEE C=CCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1ccc(N(C)C)cc1 2327016775 YHALPTAVHHIHFS-UHFFFAOYSA-N 435.597 4.824 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccccn2)cc1 2328367842 IVUIDCMAFDFYOO-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE Cc1cccc(OCc2nnc(SCCO)n2N=Cc2cccc3ccccc23)c1C 2328869746 JMJYZXPRDSNJIB-UHFFFAOYSA-N 432.549 4.594 30 10 IJEE C=CCSc1nnc(CCc2cccs2)n1N=Cc1cc(Br)ccc1O 2329673886 LGICOVBDXIWCHB-UHFFFAOYSA-N 449.399 4.753 30 10 IJEE CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(OC(C)C)c(OC)c1 2329829237 UZCQFRVSZWORSU-UHFFFAOYSA-N 428.533 4.798 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)Cc3ccccc3)c(OC)c2)c1 2330777808 NYIFTAPEMQZHSK-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccccc3F)nnc2C2CCCC2)cc1O 2331071849 PICDZYYCMYRDPJ-UHFFFAOYSA-N 426.517 4.964 30 10 IJEE Cc1ccccc1CSc1nnc(C(F)(F)F)n1N=Cc1ccc2c(c1)OCCO2 2331114436 UJCIZXABOSAAOM-UHFFFAOYSA-N 434.443 4.551 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(F)(F)F)n1N=Cc1ccccc1Cl 2331150232 PAUVNQMBYIQJIU-UHFFFAOYSA-N 447.914 4.573 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@H](CC)CN1C(=O)OC(C)(C)C 2358671595 JYSFKOMGTRURMF-VDGAXYAQSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]([C@@H](O)C#Cc3ccc(Br)cc3)(C2)C1 2360194264 KZPPGARSWMYFTP-ZWCUEREDSA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([C@@H](O)C#Cc3cccc(Br)c3)C[C@@H]21 2360196139 KRKHZEJSVWGOQL-HNJRGHQBSA-N 434.374 4.587 30 10 IJEE Cc1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=N/O)/C(=N/O)C(C)(C)C2 8387205 PSWLNRWXDKVISH-JUZYOEKXSA-N 434.340 4.809 30 10 IJEE N#C[C@H](C(=O)c1cccc(I)c1)c1cccc(Br)c1 36765716 JPXJTCMGVHWGGC-AWEZNQCLSA-N 426.051 4.544 30 10 IJEE Cc1c(OC(=O)c2ccc3c(c2)OCO3)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 41291419 OPMCEHQMVNDPMX-FMCGGJTJSA-N 443.455 4.625 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 59047793 ZDXIZROMRZSAMJ-UHFFFAOYSA-N 446.498 4.999 30 10 IJEE O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1 102907149 DOCOBSOWSRBCBT-LCPUNJGISA-N 434.835 4.875 30 10 IJEE CCOc1c(OC)cc(/C=N\Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 169940837 ATLVDVAGBGTFIS-FMCGGJTJSA-N 443.525 4.689 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(O)cc2)c1 169957819 YSHJTTFMHTYAKJ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccc(O)cc1 169962262 YCVDUUCMKLYIMY-DEOSSOPVSA-N 429.472 4.503 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)cc1 169964551 CZWTXKSRKBWEKC-QHCPKHFHSA-N 447.462 4.627 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@@H]1c1cccs1)c1ccc2c(c1)CCO2 169987990 BPEJMDPRHWDVOV-HXUWFJFHSA-N 439.439 4.744 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 170062116 AROYPQADXDCSPO-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(C)c2)[C@H]1c1c(C)[nH]c2ccccc12 170104288 MHFUFFCRCAFJGT-HSZRJFAPSA-N 432.520 4.708 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)c1 170145069 CNOCZNVYEFBSFB-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2C)c1 170269807 PAVJCLNINARFCK-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(C)o1 170300991 XLXWDSFPKNMMFQ-NRFANRHFSA-N 433.460 4.702 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 170362227 MHRKDSAZRRKGKQ-QFIPXVFZSA-N 433.460 4.860 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1O 170409194 NXVSJTCCSANOOJ-LJQANCHMSA-N 441.892 4.899 30 10 IJEE N#C[C@H](NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1F 208411967 AXCDEHROHPGLFO-HHMVEJHFSA-N 441.441 4.607 30 10 IJEE CCOc1ccc(N=C2S/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)N2CC)cc1 252631370 VKDVFVVOMACYGO-KWKLDLJFSA-N 442.537 4.735 30 10 IJEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@@]3(O)/C=C/CO)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 253618099 RCOWGILQXUPXEW-MGEVBNAESA-N 447.619 4.932 30 10 IJEE O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2cccc(F)c2)/C1=C(O)/C=C\c1ccccc1 254412436 VUAKDQORFMJGKF-IJAKUYPXSA-N 443.430 4.706 30 10 IJEE COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=Nc1ccccc1 254627613 ASWXZMVWKCEQJX-AQAUNXFGSA-N 448.500 4.895 30 10 IJEE CC(=NOC1=C/C(=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O)c1ccccc1 254736817 PBYHZTBIBPTECE-CSCQQKSASA-N 444.512 4.694 30 10 IJEE C=CCC[C@H](NC(=O)N(C)Cc1nc([C@@H](C)OC)no1)c1ccc(C(F)(F)F)cc1 441537267 SUUJHMUBIRMJEW-CJNGLKHVSA-N 426.439 4.645 30 10 IJEE CCCCc1nnc(SCc2cccc(C)c2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526808926 RHCRXKFHNDJKGM-XKZIYDEJSA-N 425.514 4.717 30 10 IJEE Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1OCC(C)C 526828319 FZDQAOZMRXYUGO-UUYOSTAYSA-N 425.514 4.704 30 10 IJEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H](c2ccccc2)O1 549582573 PVHCVIHOLKBNDA-JPYJTQIMSA-N 441.560 4.893 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)N(C)C(=O)OC(C)(C)C)cc1 710816486 XPZOVEJKPTZAEW-GOSISDBHSA-N 433.549 4.974 30 10 IJEE O=C(/C=C\c1cc(Br)c2c(c1)OCCCO2)c1ccc(C(F)(F)F)nc1O 731564476 GISXZVICXDAFKS-RQOWECAXSA-N 444.203 4.626 30 10 IJEE CC(C)(C)c1noc(-c2ccccc2C(=O)OCc2cc(Cl)ccc2OCC#N)n1 735349483 OXGUVBVIWAKKGI-UHFFFAOYSA-N 425.872 4.947 30 10 IJEE CCc1cc[n+](/C(C(=S)N[C@@H]2CCc3ccccc3C2)=C(/O)c2ccc(C#N)cc2)cc1 762438405 GIEGXEQXXIEJCQ-XMMPIXPASA-O 440.592 4.766 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN(C)Cc2ccc(Br)cc2C)c1=S 766088001 FWECRWYNGKDAPZ-UHFFFAOYSA-N 444.402 4.823 30 10 IJEE N#C[C@H](COC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)Cc1ccc(F)cc1 772650983 FAUTYWBUJVYXAU-OAHLLOKOSA-N 432.373 4.854 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H](O)c1ccc(F)cc1Cl 774629821 DAYYJYAQWNFEOC-LJQANCHMSA-N 433.936 4.970 30 10 IJEE C=CC[C@]1(C(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CCCN1C(=O)OC(C)(C)C 804513126 DWLILGHGGGWQGN-BKMJKUGQSA-N 442.600 4.613 30 10 IJEE CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1ccc([N+](=O)[O-])cc1 1084024363 IBMVZLCAKMHNFB-UHFFFAOYSA-N 440.872 4.562 30 10 IJEE Cc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)cc1C 1084370492 ZJFPVZDOSZMSQA-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cc2)c1 1125256068 BSMPNTJOPMGUDX-GOSISDBHSA-N 431.467 4.963 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c(OC)c1 1136246119 IOKGRCKMNCFRTA-OYRHEFFESA-N 436.596 4.597 30 10 IJEE C#Cc1cccc(N(CC)C(=O)C2CC3(C2)C[C@H](NC(=O)OC(C)(C)C)CCS3)c1 1136643691 SWEUCYAZNUXSIU-IQJRZOLZSA-N 428.598 4.590 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1c(Cl)cccc1OC(F)F 1151873271 YVNJYIANSMKZMR-UHFFFAOYSA-N 433.842 4.622 30 10 IJEE C=CC[C@H]1N(C(=O)CCC(=O)c2ccc(I)cc2)CCCC1(C)C 1156192044 WBHWMPPZNXEQMA-GOSISDBHSA-N 439.337 4.847 30 10 IJEE C=CCOc1c(Br)cc(CNCCNc2ccc3ccccc3n2)cc1OC 1179142424 HZLNOZGJCKTDIZ-UHFFFAOYSA-N 442.357 4.772 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 1185711325 LTGRCYJOFHDNTB-UHFFFAOYSA-N 435.414 4.726 30 10 IJEE COc1cc(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)ccc1OCc1cccc(C#N)c1 1194700690 GLEHQZKAMRHQIN-QHCPKHFHSA-N 430.552 4.505 30 10 IJEE CC(C)(C)c1nn(-c2ccccc2)cc1CNC1CCC(Oc2ccc(C#N)cn2)CC1 1201449349 ANISKWFVCWHWEK-UHFFFAOYSA-N 429.568 4.916 30 10 IJEE COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 1221526881 CJBIDRFZSQQPOC-XMMPIXPASA-N 429.495 4.978 30 10 IJEE Cc1cccc(-c2cccc(CNC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)c1 1221696325 HPBDLLMNGPZJDJ-UHFFFAOYSA-N 426.564 4.807 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](CC)Oc1ccccc1C(F)(F)F 1222917718 DFQJKNJQSNMHLM-INIZCTEOSA-N 440.462 4.736 30 10 IJEE C#CCOc1ccccc1CNC(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 1227923368 BBTFKAQTURWPAR-UHFFFAOYSA-N 436.861 4.902 30 10 IJEE C=CCCCCCCCNC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1251699754 VFVJLJJZXKREBK-UHFFFAOYSA-N 425.495 4.699 30 10 IJEE C=CC[C@@H](OC(=O)c1cc(=O)n(C)cc1Br)c1ccc(Cl)c(Cl)c1 1270227748 CVYJSSIDBDBRSO-OAHLLOKOSA-N 431.113 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(C)c1 1286282855 SOFICRPQGAMBLN-HNNXBMFYSA-N 429.387 4.778 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](OC)[C@@H](C)CC 1286420771 JQHYGAQMCNBTGG-FPOVZHCZSA-N 438.641 4.800 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC(C)CC1 1286603992 MEKLDWHUKLFZEB-UHFFFAOYSA-N 449.393 4.545 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1286621646 LUGVCHLTPJRIMV-GOSISDBHSA-N 444.366 4.789 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1286694873 IZKZQECUFFQGNA-RBUKOAKNSA-N 428.577 4.787 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1286708308 CSYABOCSEGGKCE-DYESRHJHSA-N 442.560 4.705 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(c2ccccn2)CCC1 1300287242 WMEZXHDFRRUBLV-KRWDZBQOSA-N 435.959 4.582 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1Cc1cccs1 1300428900 SKOXNMLHRIOVAV-HMXCVIKNSA-N 426.630 4.883 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCSCC(F)(F)F 1300644386 UIIXZMOUUAUVJU-UHFFFAOYSA-N 428.549 4.634 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(C)CC1 1300830283 URBBNZUPPIHUQU-UHFFFAOYSA-N 425.277 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC)(CC)C1 1300890427 GSWXHSNCWDATES-URXFXBBRSA-N 449.599 4.726 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[C@H]1C 1300925849 HDRKLJHRWUDUHC-WCIQWLHISA-N 431.625 4.887 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1301025362 WVBGKNVRXHNMMH-SFHVURJKSA-N 433.984 4.512 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)C(C)(C)C)CC1 1301096746 CXVFZQIFVQZYMU-OALUTQOASA-N 447.624 4.568 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCCC[C@H]2C)CC1 1301129693 ZMVJATSZNRTHJC-LJQANCHMSA-N 442.677 4.691 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCOCC)CC1 1301135181 UUANTLZMTPUXOG-UHFFFAOYSA-N 425.360 4.603 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1)c1ccccc1 1301164744 WOOYARKVQJCNII-OAQYLSRUSA-N 439.604 4.819 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCn1cccn1 1301273907 YALVQGLIFQPNLP-SFHVURJKSA-N 428.968 4.597 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1301594333 AWBLGLCPVOLOEO-UYAOXDASSA-N 444.645 4.958 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1301606028 HPNQDZCHUJNHDR-RBBKRZOGSA-N 437.613 4.797 30 10 IJEE C=CCn1c(S[C@@H](C(=O)NC(C)(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1307237545 DFIOHURTHUYUES-KBXCAEBGSA-N 447.670 4.800 30 10 IJEE C=CCOc1ccccc1CNS(=O)(=O)c1ccc2ccccc2c1Br 1309193605 JYMSEGOVOUBWLF-UHFFFAOYSA-N 432.339 4.646 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 1310862253 GKBVLBYMFRIMOB-KRWDZBQOSA-N 435.318 4.820 30 10 IJEE C#CCN(C(=O)N[C@H](C)Cc1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1311793416 STGVBBRILPLWBQ-DYESRHJHSA-N 441.369 4.857 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)c1ccc(F)c(F)c1 1312534724 HKKCBSDSFPBFQA-PMACEKPBSA-N 437.531 4.965 30 10 IJEE C#CC[C@]1(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCCN1C(=O)OC(C)(C)C 1349544895 CGJPSVGPKDCVFF-HHHXNRCGSA-N 428.532 4.818 30 10 IJEE Cc1cccc(-c2ccc(CNC(=O)COc3ccc(C#N)c(Br)c3)cc2)c1 1353981773 HSSSEKVWJDXUNU-UHFFFAOYSA-N 435.321 4.991 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 1357587771 VAGYTHKIGNAPNH-KRWDZBQOSA-N 434.540 4.925 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@H]2CCCCC2(F)F)c1 1358901737 VJUBYMHTYTUJNW-MJGOQNOKSA-N 443.542 4.673 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](COCC)C1 1358906717 QGHNTLXDWLIPNR-MOPGFXCFSA-N 426.630 4.798 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)c1nccs1 1359002828 OMHNUDIULQHGLX-CYBMUJFWSA-N 448.365 4.566 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C=C)CC1 1359061668 JDYCAHAVCHIBGC-UHFFFAOYSA-N 433.046 4.993 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ccco1 1359108406 MRVPVPLBWZQDJE-UHFFFAOYSA-N 431.334 4.760 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359187469 NXVRNJSKEFLRGL-HXUWFJFHSA-N 436.604 4.706 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1C(C)(C)C)c1ccccc1 1359195132 HIZWYDFEELGZBQ-IBGZPJMESA-N 435.538 4.620 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@](C)(CC)C1 1359223170 CDMHQYLRJIJHMA-MHECFPHRSA-N 444.645 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCC1CCCC1 1359238017 WFTXFKVDAAODQG-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H]1CCO[C@H](C)C1)C1CC1 1359248244 GIUHPWIFHDLSLW-SJORKVTESA-N 430.980 4.967 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1C[C@@H]1CCCCN1C1CC1 1359256478 HIEBVLOYDBIQKV-DEOSSOPVSA-N 432.616 4.558 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C 1359265663 KBODGZXNXGHXST-KJJMTIBFSA-N 447.693 4.549 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCN1c2ccccc2C[C@@H]1C 1359268834 FBKDOOYCISNEFR-SFHVURJKSA-N 434.975 4.623 30 10 IJEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1ccco1 1359343297 QAJKYNRBOQJWMA-OXJNMPFZSA-N 426.542 4.500 30 10 IJEE Cc1c(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cnn1-c1ccc(F)cc1F 1435641508 DCHHQGANJLVWAQ-QGZVFWFLSA-N 431.311 4.771 30 10 IJEE C=CCOc1ccc(CN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)C(C)(C)C)cc1 1435952992 FATWMDURBIIKFC-HSZRJFAPSA-N 436.552 4.962 30 10 IJEE C#CCN(CC)C(=O)[C@@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1442144493 VSXFNGFEYWWDNG-HSZRJFAPSA-N 436.939 4.518 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 1450598861 NWBZJZUOWNBRKF-NRFANRHFSA-N 440.588 4.594 30 10 IJEE COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)c1ccc(COc2ccccc2C#N)o1 1451726115 CILWVJDLUWIWSX-FQEVSTJZSA-N 438.524 4.752 30 10 IJEE C#CCC1(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 1456186816 ZHVQTIJKLAHQRE-UHFFFAOYSA-N 430.548 4.758 30 10 IJEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 1458616850 APYAYARHBBZZNX-CYFREDJKSA-N 427.573 4.960 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 1460536517 ZZKAQHBPIVBSHF-HXUWFJFHSA-N 448.636 4.921 30 10 IJEE C#C[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc(Cl)cc1 1460794822 UALKYOPSGILDQR-GOSISDBHSA-N 436.899 4.893 30 10 IJEE C=CCn1c(SCC(=O)CC[C@H]2CCCCO2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472908301 WGLQHXOIPQVZHG-NVXWUHKLSA-N 446.638 4.779 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3cccc(F)c3)C2=O)nc2cc(Cl)ccc2c1=O 1472911433 JABISFNCJAOIHF-IBGZPJMESA-N 443.931 4.663 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1ccc(F)cc1 1472930130 BGDGHNXLXRLLCC-SFHVURJKSA-N 428.920 4.821 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1474731456 JHSOLWIFKGKDRK-TXEJJXNPSA-N 447.753 4.955 30 10 IJEE COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2C#N)cc1OC 1475804227 HBFLPZYPVOFMFX-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE CCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CCCC1 1502750381 BAPGITVMKGMLBZ-LJQANCHMSA-N 447.505 4.945 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCC(C)(C)C1CC1 1507662801 OJXYFZONUGKHCW-UHFFFAOYSA-N 439.401 4.997 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1507697940 GHYWKXWSIGRCTE-DYESRHJHSA-N 431.005 4.665 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1cccnc1OC1CCCC1 1507700654 TWZDELRZVLUJEL-UHFFFAOYSA-N 447.558 4.945 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1507774723 AXQGMGDGXNKFFC-INIZCTEOSA-N 425.758 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(C)(C#N)CC1 1507793073 BZJPMJRLQCROQK-PXNSSMCTSA-N 425.964 4.710 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCCC2)n1CCC(=O)N1CCCCCC1 1508006529 GUUIMJYINDSKNS-UHFFFAOYSA-N 441.645 4.983 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)c1ccc(C)cc1 1508021260 UXKFRONUASRDME-OAQYLSRUSA-N 426.568 4.807 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1508165512 UKOKHHPNCJDCFZ-LJQANCHMSA-N 440.638 4.852 30 10 IJEE CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC(F)(F)F 1513983932 AWIOWWVMINZWLC-PXNSSMCTSA-N 448.537 4.716 30 10 IJEE C=CCCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1525670372 MGPWCCSTSCXGCC-UHFFFAOYSA-N 434.646 4.638 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1525739092 VNFVZRHAPCJKHB-QRKBLAFPSA-N 445.625 4.856 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 1526526360 JHZVOWGVCMYOGY-SFHVURJKSA-N 439.353 4.506 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)cc1OC 1529385876 FHTIFYNTGOWSNK-PHRJPNOBSA-N 446.469 4.687 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC=C)c3ccccc3)c2)C1 1529816083 WHYMHGTYYGJLFC-GOSISDBHSA-N 444.984 4.760 30 10 IJEE N#Cc1cc(C(=O)N=c2sccn2Cc2cccc3ccccc23)cnc1C(F)(F)F 1531256398 GIEZKUJXVDIZSR-UHFFFAOYSA-N 438.434 4.778 30 10 IJEE C#CCN(C(=O)Cn1ccc2ccc(F)cc21)[C@@H]1CCOc2ccc(Br)cc21 1531552993 IVBZHWWKJAIXRE-LJQANCHMSA-N 441.300 4.529 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(=O)OC 1531945871 UHEFBARVNWRNCM-SFHVURJKSA-N 426.563 4.826 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1539278880 MZDSPKBORQDEDX-GMAHTHKFSA-N 436.625 4.547 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1 1539559217 YRMUMCYEABONKS-SQJMNOBHSA-N 440.035 4.635 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539691263 RMLRSCYEJAILMT-GOSISDBHSA-N 433.394 4.843 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1539940871 WDLYPURVKRGEFZ-JOCHJYFZSA-N 432.616 4.564 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@](C)(OC)C1 1539989355 VFXVQCUOZHFCCS-NRFANRHFSA-N 433.394 4.988 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1C[C@]1(N(C)C)CCSC1 1540134388 RGTCKSNZBDFSHY-WZONZLPQSA-N 431.625 4.561 30 10 IJEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCC(F)(F)C1 1545129107 FLVXUVURKJRXEK-SJLPKXTDSA-N 431.556 4.974 30 10 IJEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1554230345 BSWFQRYUGXMLCN-WOJBJXKFSA-N 443.542 4.895 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c(Cl)c1 1561151587 BZNPDYDIHMVAJA-GOSISDBHSA-N 439.762 4.794 30 10 IJEE C#CC1CCN(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)CC1 1564115551 TYCIOBNMIDYWDD-UHFFFAOYSA-N 431.851 4.734 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1)c1ccccc1 1564384998 IPYLIQVXOMDDJE-JOCHJYFZSA-N 441.369 4.904 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](C)F 1569838863 CSKVNJQLCOCFQO-OPAMFIHVSA-N 444.934 4.901 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21)c1ccc(Br)cc1 1584709289 YYLAPZQBPRNHQI-FCGDIQPGSA-N 445.154 4.588 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1cccc(C(F)(F)F)n1 1588189076 CNCUPAGXKFKLTK-UHFFFAOYSA-N 443.860 4.524 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccccc1Cl 1589026905 KKEZQLKCYJMGKQ-UHFFFAOYSA-N 432.380 4.650 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1589556140 AEZKKOMGFHGHTR-DPLHUUCSSA-N 438.616 4.753 30 10 IJEE C=C(Cl)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1593852521 TZEXGLLXIXKWKX-UHFFFAOYSA-N 449.864 4.594 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccc(C#N)o2)CC1 1594192211 FPJDQUHZTQJAMD-IBGZPJMESA-N 431.540 4.950 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)N(C)C)CC1 1594430071 HUMXNKDJRXFCTP-OAHLLOKOSA-N 438.403 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1594478100 NIOPTBKOOSOPMG-UHFFFAOYSA-N 446.599 4.671 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1594760691 NLUKXBXVRGBYKI-UHFFFAOYSA-N 448.615 4.862 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCN1CC)C1CC1 1595037652 IZEUQIJOUDFMFE-LJQANCHMSA-N 429.996 4.636 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCC=C(Br)C1)C(C)C 1595165240 DEEROIIQFLARQO-LJQANCHMSA-N 436.442 4.589 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H]1CCOC1 1595191654 VEDDRWVEWHHEDE-KRWDZBQOSA-N 431.378 4.621 30 10 IJEE CC(C)(C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1597372779 DFEGMBQFEOZZBI-UHFFFAOYSA-N 439.604 4.544 30 10 IJEE CC(C)SCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1611151388 DSZRMSXKUJDXKF-GOSISDBHSA-N 427.618 4.743 30 10 IJEE C[C@@H]1C[C@H](CCn2c(C3CCCC3)nnc2N(C)[C@H](C)CC#N)CN1Cc1ccccc1 1612680010 HFISRKWLOZZZHP-XPNTWCBSSA-N 434.632 4.975 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC[C@@H](C)C2)cc1OC 1616351108 FBAJPAFEVZJFRP-MPCDZSKCSA-N 437.588 4.919 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1 1617063929 GCNWKZWACDGEJX-INIZCTEOSA-N 439.434 4.623 30 10 IJEE C=CCCn1cc(CN2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)nn1 1621512999 AHISUWKJZZILTJ-DENIHFKCSA-N 431.625 4.540 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1Cl 1621872912 DPFBESSMEOUJMR-AWEZNQCLSA-N 445.755 4.751 30 10 IJEE N#CC[C@@H](CC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1)c1ccccc1 1627049607 CVZMDEUNFRCGON-MBSDFSHPSA-N 449.352 4.734 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1ccccc1 1632271494 FWXULEOQDMTGQE-JOCHJYFZSA-N 440.590 4.664 30 10 IJEE C=CCNc1ncc(C(=O)NC2(c3noc(CC4CCCC4)n3)CCCCCC2)s1 1633435353 DJXZBQWTSHGZIV-UHFFFAOYSA-N 429.590 4.836 30 10 IJEE C=CC(C)(C)CCCNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1634030631 YICYDZFRDNAAGF-GOSISDBHSA-N 436.394 4.545 30 10 IJEE C=CCCC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccccc1 1636852179 VWVQXPLDBLOCRM-NRFANRHFSA-N 438.369 4.971 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 1639358781 WAAYDHXOGZDZKQ-GJZGRUSLSA-N 427.463 4.710 30 10 IJEE C#C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)C1 1643854710 QWQDGXYWDAMELI-IBVKSMDESA-N 444.575 4.764 30 10 IJEE C#CC[C@]1(C(=O)NCc2sc(-c3ccccc3)nc2C)CCCN1C(=O)OC(C)(C)C 1649370166 KRBCDZBOVANIQC-XMMPIXPASA-N 439.581 4.528 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)c1cccc(Nc3ccc(C#N)cc3)c1)C2 1653936492 CWTUQPGKKODKLJ-UHFFFAOYSA-N 446.551 4.868 30 10 IJEE C=CCn1c(Sc2ncnc(F)c2Br)nnc1-c1cccc(Cl)c1 1655300784 VPGQVOYMYFRGMO-UHFFFAOYSA-N 426.702 4.627 30 10 IJEE CCOc1cc(CNc2n[nH]c(C3CC3)c2C#N)cc(Br)c1OC(F)F 1658093444 CUHZEKLCCMPNBV-UHFFFAOYSA-N 427.249 4.533 30 10 IJEE CC(C)COc1cccc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 1658121627 GWULPHFMQQZBCQ-QHCPKHFHSA-N 442.401 4.866 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl 1659604288 LFEKFWQNJMKLKS-UHFFFAOYSA-N 426.275 4.519 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](Cn1ccnc1)c1ccccc1 1662577709 YOOQPLUOVQPJPX-IBGZPJMESA-N 441.329 4.773 30 10 IJEE C=C1CCC(CNC(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@H]2C)CC1 1667443206 UTHXZNCHLWOZGY-HDICACEKSA-N 443.588 4.975 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1667538223 RMYMSMGZDSEGPX-QGZVFWFLSA-N 431.414 4.919 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)Nc2ccn(Cc3ccccn3)n2)cc1 1671954712 FZPFVQCTYMOJFV-UHFFFAOYSA-N 426.505 4.993 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1674020144 DAMLQTIWWBBTQQ-SFTDATJTSA-N 445.991 4.835 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccccc1 1680810309 VVWZKJZNNHETBT-MOPGFXCFSA-N 437.531 4.885 30 10 IJEE Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1682100645 DCNPRTCSJFXSMX-QHCPKHFHSA-N 433.512 4.557 30 10 IJEE C#CCOc1ccc(CNC(=O)NCc2c(Cl)cc(Br)cc2Cl)cc1 1686549447 DPFRARPSSFZHMK-UHFFFAOYSA-N 442.140 4.767 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1689917802 HEUHRQJNUMKHNN-HSZRJFAPSA-N 445.615 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H](OC)C(CC)CC 1690199873 BYYFYSWUERHTMA-NBGIEHNGSA-N 438.572 4.507 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1cccc(F)c1 1690227601 CNCRZQVDSSTEIB-WMZOPIPTSA-N 435.341 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cccs1 1690238118 FQDPMRAAZZMNNT-FXAWDEMLSA-N 439.541 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1690252273 BVXLJJJOHCLIFO-DYZUWXGSSA-N 449.599 4.725 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)c1ccco1 1690256149 FNKGBEXYTFEHSM-CJFMBICVSA-N 438.572 4.938 30 10 IJEE C=C(C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690278473 CFQZDPSQJZNSPY-HKUYNNGSSA-N 441.645 4.593 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1690465657 IZSLRTWHTWITKP-FQEVSTJZSA-N 436.629 4.565 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nccc(C(F)F)n1 1690532186 IFIXJMZEFIIGBN-UHFFFAOYSA-N 442.514 4.687 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1690539935 SAWZDDVWWLCBMD-HXUWFJFHSA-N 435.616 4.656 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CCCCC1 1690569836 NTLQBPXVVRKJKG-VWLOTQADSA-N 437.563 4.936 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1N(C)CCCC1(C)C 1690591855 XKTJTYKEQBTWSD-HSZRJFAPSA-N 432.616 4.736 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1Cc1cc(COC(C)(C)C)on1 1690999029 AMXWRMGVQQBOGD-OAHLLOKOSA-N 442.951 4.546 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCSC2)c1C 1692886189 GTQNZQUFXNYBAH-DFQSSKMNSA-N 427.618 4.917 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CCC2CC(OC(C)(C)C)C2)n1 1693181594 BUHSGBJYWQMNJG-UHFFFAOYSA-N 436.604 4.762 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)C)C1 1698402163 HOOUSFCCXMVWIU-FPOVZHCZSA-N 440.661 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1csc(C(C)C)n1 1705477477 OOFBIYNMLAVXIX-DLBZAZTESA-N 441.576 4.838 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705513582 RMEOHYZCNCIGDL-MRXNPFEDSA-N 440.897 4.950 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCN1CCCC[C@H]1C 1705546097 AECBCRUOTLMGSW-OAQYLSRUSA-N 430.600 4.526 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCCCN1CC 1705546105 AHCLNMIHUODPQV-MRXNPFEDSA-N 428.005 4.757 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCC[C@H]1C 1705605600 ORABFZIGBNQMGX-QRQCRPRQSA-N 428.989 4.824 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCS1 1705619982 IDSVLYMSQNOTFW-SFTDATJTSA-N 428.577 4.584 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1ccco1 1705697824 OIJZLOOFYVXVJW-FGSXEWAUSA-N 440.519 4.768 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1705732993 HKNWKQPGTFHPML-UXHICEINSA-N 442.604 4.958 30 10 IJEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(CC)[C@H](C)C1CCC1 1705747761 UMOQUUYIOXAFSP-OAHLLOKOSA-N 436.387 4.629 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1705757366 IWFJUOJMMCZRER-LJQANCHMSA-N 442.032 4.784 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1CC1(SC)CCN(C)CC1 1705865978 DLAFDYBJIIZHHN-UHFFFAOYSA-N 431.675 4.627 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C)N(C)C1CC1 1705870512 JYTWXQHECVWTKE-OAHLLOKOSA-N 448.384 4.508 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(CCOC)CC2)C1 1705920488 YMTTVZXZRYPTOA-QFIPXVFZSA-N 438.616 4.841 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)CN1CCCC1 1708648958 HEAVEIMESXUEON-QPPBQGQZSA-N 434.632 4.682 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)cs1 1708996660 FDROXFGMWMAXKP-QFIPXVFZSA-N 438.626 4.758 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H](c1ccccc1)N1CCCC1 1722513857 LLXSCEYNLAOFNR-XMMPIXPASA-N 430.600 4.503 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC#N)CCC(C)C 1722522500 SOWRNHVFPXQOCJ-HXUWFJFHSA-N 444.624 4.735 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2nc(C(C)(C)C)cs2)CC1 1722567026 IJTVRJLMAGQCAW-UHFFFAOYSA-N 442.658 4.787 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1722578860 APQDCGUQNHXJHL-GOSISDBHSA-N 435.380 4.914 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)[C@H]1CCOC1 1722623132 ADBHTUJSFAJCAZ-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1722624202 WOGWBZKLRUBTOO-HSZRJFAPSA-N 436.556 4.580 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CC(C)(C)C 1722688535 FFUKRGUBMLGXGR-UHFFFAOYSA-N 431.993 4.598 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCSC(C)C)C1 1722710582 LDKKGEWVBLKOBP-LJQANCHMSA-N 437.613 4.725 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](CC)C1 1722731614 ALTCMWOZBWOXFC-WOJBJXKFSA-N 430.618 4.569 30 10 IJEE CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nccs1 1728465423 CECCQPYLXSHEAE-QGZVFWFLSA-N 436.585 4.615 30 10 IJEE CSC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1731026993 GUCFWUASXQAHNL-UHFFFAOYSA-N 445.036 4.539 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nc(C(C)(C)C)cs1 1740544151 DHBGHTUWPBKEBZ-MRXNPFEDSA-N 432.597 4.697 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1740567684 UWIQHAKIMAMBHP-QZTJIDSGSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1740597949 XXKFYSKEKGNRSG-LJQANCHMSA-N 433.021 4.889 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1c(C)sc(C)c1Br 1740656939 UASLOQAOHBHDBJ-UHFFFAOYSA-N 445.430 4.888 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CC[C@H]1C[C@H](F)C1 1740726820 POVOSQWHZWWEFE-PJIJBLCYSA-N 437.382 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(Cc1ccc(F)cc1)C(C)C 1740756066 FJKPBGJZAJYMGI-OFNKIYASSA-N 437.563 4.819 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1740783239 ZESFJOAPJITUPL-KRWDZBQOSA-N 425.602 4.978 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1740795953 JDXDABCNHJTKCO-QFIPXVFZSA-N 438.597 4.873 30 10 IJEE C=C(C)COCCn1c(N2CCCC[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1740799699 STBRKPBLNRYCOP-JOCHJYFZSA-N 438.616 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)c2ccc(OC)c(OC)c2)CC1 1740822795 ZDKYFFMWMKRHGB-UHFFFAOYSA-N 447.583 4.800 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1740827464 XXGFSLMOFYEKOW-UHFFFAOYSA-N 448.590 4.885 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1740838050 DMCSMPATNYNLAH-IBGZPJMESA-N 434.506 4.950 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC2CC2)CC1 1740845007 AXVGCDZJDUIVEI-UHFFFAOYSA-N 431.987 4.872 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](OCCOC)C1 1740845152 GTRPIBFUTROLPE-FQEVSTJZSA-N 438.572 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1740893974 DXOHGODGMCSHIX-IEBWSBKVSA-N 427.549 4.705 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1Cc2ccccc2O[C@@H](C)C1)C(C)C 1740924151 INPJCIDFDUVGEW-GMAHTHKFSA-N 437.632 4.888 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740928697 RGVXUVMEIMEGEX-OAHLLOKOSA-N 449.958 4.829 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS[C@@H](C(C)C)C1 1741006573 MICJIWQEMNVPLG-GUDVDZBRSA-N 438.707 4.694 30 10 IJEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1743888859 BNLQUDKZGDBBSO-MOPGFXCFSA-N 436.604 4.527 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCOC[C@H]1C 1748647598 QNJJKOBRXJGGQS-UWVAXJGDSA-N 435.597 4.508 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1748734230 CANWIIFQDHWCDH-SFHVURJKSA-N 442.361 4.946 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCCc1cnn(C)c1 1749146676 LAXQJSLLVAXKME-UHFFFAOYSA-N 449.422 4.538 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1749239241 HDDVEUWUVDQIFM-FGZHOGPDSA-N 442.629 4.619 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CC2CCN(CCC)CC2)CC1 1749347056 HDECBCRLQHJDLA-UHFFFAOYSA-N 441.595 4.521 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1Cc1cc(Br)cs1 1749387267 WXGBAJOOOJPQQW-HNNXBMFYSA-N 439.423 4.837 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1)C1CC1 1749527955 XPQNSZRPPAHBMK-UHFFFAOYSA-N 447.436 4.613 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(COC)CCCCC1 1749575399 QNRWIQVQZZMRDF-QFIPXVFZSA-N 438.572 4.566 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOC 1749587310 OYSZUAZQRPTGBP-KRWDZBQOSA-N 426.586 4.606 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC#N)CC1 1749686420 BBIOMFSPKVZPBI-UHFFFAOYSA-N 448.958 4.737 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1750832171 AMEZFHCIRYHQPP-VWLOTQADSA-N 448.659 4.561 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC1CC(OCC)C1 1760103852 NDIQBTUVXJSXII-BUJABKPXSA-N 426.630 4.795 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C2CCC1(C)CC2 1760300697 JVNBUPAKNIOSME-GPWPYBQESA-N 435.341 4.987 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(C(F)(F)F)CC1 1760320388 UQWPPJJVLGOPNP-DNVCBOLYSA-N 438.469 4.844 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](OCC2CC2)C1 1760353569 WSKINDGWUBEGHH-LJQANCHMSA-N 430.980 4.587 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C1CCCCC1)N(C)C 1760466831 KDWXIMKYSVRIQJ-OAQYLSRUSA-N 432.012 4.643 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)C1CCCCC1 1760480937 JFLMPLSXYNTAAZ-GJZUVCINSA-N 438.616 4.696 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCC1 1760487163 KXWMTINYQHCOKI-UHFFFAOYSA-N 429.634 4.523 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1761430900 BNVQXUMNDJWOAX-CYFREDJKSA-N 441.023 4.851 30 10 IJEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2nc(C(C)(C)C)cs2)cc1 1769983168 GDNGERGFPKXMTC-MRXNPFEDSA-N 438.601 4.546 30 10 IJEE O=C(O)c1ccc(N=C2S[C@@H](Cc3ccccc3F)C(=O)N2CCc2ccccc2)cc1 1772728164 QKTPFKHAAQUBHI-QFIPXVFZSA-N 448.519 4.941 30 10 IJEE CC(C)c1ccc(-c2nn(-c3cccc(Br)c3)cc2/C=N\NC(N)=S)cc1 1857807029 RCNCCEDDNUCCRN-KSEXSDGBSA-N 442.386 4.592 30 10 IJEE CCN1CCc2nc3ccc(C)cc3c(C(=O)Nc3sc4c(c3C#N)CCCC4)c2C1 1859648556 GUJRUYTZNJKDKG-UHFFFAOYSA-N 430.577 4.986 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)c1cccc(Cl)c1 1861925919 NWKODBGPFLMXRP-OAQYLSRUSA-N 428.985 4.572 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 1862380133 UQPZOYOBCUDKPH-LJQANCHMSA-N 434.319 4.998 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(CC)cc1 1862556146 PUCFLLTVSRPQEL-HSZRJFAPSA-N 436.552 4.616 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccc2ccccc12 1862573381 AXZGZMIBWAWQAM-QHCPKHFHSA-N 429.472 4.621 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)cc1 1862673352 DDGVLPSENFXJER-CMJOXMDJSA-N 447.462 4.879 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 1862675316 HQIZYLPBTOSRQZ-JOCHJYFZSA-N 439.483 4.928 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCc3ccccc3)[C@@H]2c2ccccc2)c1 1862698129 AMANYMFTGFWFEK-XMMPIXPASA-N 427.500 4.906 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)ccc1O 1862716673 LJVWYKOSPRMUCL-QHCPKHFHSA-N 429.472 4.685 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(Cl)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1862869550 SXQPMXVFQBUELL-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(F)c(F)c1 1870806432 JCKUJUNDCUSASM-UHFFFAOYSA-N 430.426 4.651 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OC(=O)COc4ccccc4)ccc3C2=O)c2ccccc21 1871364088 FTIUEFFVEBMIEF-CFRMEGHHSA-N 425.440 4.779 30 10 IJEE C[C@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2c(Cl)cccc2Cl)C3=O)C[C@H](C)O1 1871395417 RGHFHMRZYHURID-JAIZJNAVSA-N 434.319 4.924 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871396048 KFBPOPZVHRXDMO-PKIWBCANSA-N 427.928 4.707 30 10 IJEE CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOc4ccccc43)C2=O)cc1 1871396138 RFZIXLJAHAAKQJ-IWIPYMOSSA-N 429.472 4.806 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1cccs1 1871768134 NUUBLRAAXNBRGU-NRFANRHFSA-N 426.563 4.613 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 1872028048 IMXNCMIIHGYCPV-JOCHJYFZSA-N 448.560 4.599 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1CC)c1ccccc1)S(=O)(=O)c1ccccc1 1872477716 FPMWQNSGRLCLEG-DEOSSOPVSA-N 434.561 4.806 30 10 IJEE N#C[C@H](C(=O)CCc1nc2ccccc2[nH]c1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872766951 QSHIHJKEHHIZQI-OAHLLOKOSA-N 434.908 4.509 30 10 IJEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873666129 LLFXOXDHSWNRLN-HZPDHXFCSA-N 448.527 4.569 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccccc1OC 1874209767 VJLDPOXGWWTQHT-FYJGNVAPSA-N 431.359 4.634 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874279409 IEZCPJVRBXSCSZ-OEAKJJBVSA-N 428.945 4.799 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cccnc1 1874286847 ABBOAEAHHNWBJN-CVKSISIWSA-N 445.548 4.744 30 10 IJEE Cc1ccc(CCc2nnc(SCCCO)n2/N=C/c2ccccc2Cl)cc1C 1874331709 BBVHGDQCEFQHFC-BUVRLJJBSA-N 428.989 4.690 30 10 IJEE Fc1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccncc2)cc1 1874352998 LRBPWAWKVDXXHM-VULFUBBASA-N 433.512 4.704 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2cccc(C)c2)cc1 1874459501 QNKKYCZCFLAEGK-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE CCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 1874529527 OEUKNCBMINQZPG-ZVHZXABRSA-N 437.569 4.605 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(Cl)c(OCCCO)c(OC)c2)c1 1874630327 CBJATUTYDDOCQX-VQHVLOKHSA-N 434.916 4.803 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)c1 1874707042 LNVUXJHQKOFRLF-VQHVLOKHSA-N 436.435 4.967 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](c2ccc(F)cc2)CSc2nnc(CCOC)n21 1874902034 MFAIDKCNHPOWSU-LJQANCHMSA-N 434.581 4.668 30 10 IJEE CCCCCCCCC(=O)N1[C@@H](C)CSc2nnc(COc3ccccc3OCC)n21 1875067628 HJCURVYBEZUFJN-SFHVURJKSA-N 446.617 4.965 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@](C)(O)C1CCN(C(=O)OC(C)(C)C)CC1 1922083018 LKIPINUQDUAREN-ZEQKJWHPSA-N 446.632 4.526 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@](C#N)(CNC(=O)OC(C)(C)C)C(C)C)cc1 1944401465 WKIUMLYTWVVYSC-QHCPKHFHSA-N 433.549 4.880 30 10 IJEE CC[C@](C)(C#N)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1963156030 XHUISEVZHXHQKW-GFCCVEGCSA-N 438.945 4.852 30 10 IJEE C#CC1(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)CC)CCC1 1985647136 SVLJLWTWSADXQX-DFBJGRDBSA-N 444.575 4.860 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CC(CNc2ccc(C#N)c(Br)c2F)C1 2111958860 CKGGUMPLYNVFEH-UHFFFAOYSA-N 430.293 4.515 30 10 IJEE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1c1ccc(C#N)c(Br)c1F 2118199020 NLNRREBAYTVILZ-CHWSQXEVSA-N 426.330 4.589 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)c1 2124538814 NWPDZDLUBPLTBN-UHFFFAOYSA-N 442.365 4.597 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C1CCCCC1 2139306438 YSUROLPHXKDOQN-FQEVSTJZSA-N 429.399 4.773 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(F)cc1Br)NCCC 2159127397 GGRHZDKESNESGP-RTBURBONSA-N 441.385 4.806 30 10 IJEE C=CCC[C@@H](COc1ccc(N)c2cc(Br)cnc12)NC(=O)OC(C)(C)C 2198822814 RFXBHRPDNLDUOH-AWEZNQCLSA-N 436.350 4.818 30 10 IJEE C=C(C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221679975 DRCRKJDWBCXESN-MRXNPFEDSA-N 426.427 4.888 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2235718770 FBCBUWDYKPSWMG-GCJKJVERSA-N 435.406 4.862 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2235718960 FCLHOLWFYQXHKQ-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1 2235720584 PSTNEAJYNKKWGD-JUXOCIIHSA-N 435.406 4.862 30 10 IJEE COc1ccc([C@@H](N)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1 2235744914 AJQQOIZMKRGASJ-SFHVURJKSA-N 431.330 4.856 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#Cc1ccccc1Cl 2245956508 RDSZRUYFMSYADV-MTNREXPMSA-N 429.944 4.551 30 10 IJEE Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)oc1B1OC(C)(C)C(C)(C)O1 2267131572 DAZRMVJDFIXQLH-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE CCOc1cc(C=N[C@H]2CCS(=O)(=O)C2)ccc1OCc1ccc(Cl)c(Cl)c1 2295829724 SRXFSYVSKXWKTR-INIZCTEOSA-N 442.364 4.577 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296222004 OGVVSPLUSSOSBR-OALUTQOASA-N 433.390 4.568 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 2296589010 PTIIHZGVJZQKFD-IBGZPJMESA-N 432.457 4.524 30 10 IJEE O=C1C(=CNc2ccc(F)c(Cl)c2)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 2297334930 ZCKDSFFHDMULAW-UHFFFAOYSA-N 442.899 4.965 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C(O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 2297745429 DRBZEHFNSPQADE-QHCPKHFHSA-N 426.472 4.580 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2305401650 YNWYKXFYKXEIPG-BUUDZMLXSA-N 428.573 4.555 30 10 IJEE COc1cc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 2314478608 VJXSZEMLBHKKHZ-RUZDIDTESA-N 441.483 4.579 30 10 IJEE Fc1ccccc1COc1ccc(C=Nn2c(S)nnc2CCc2ccccc2)cc1 2321958767 GRPHBHFAXNWHSY-UHFFFAOYSA-N 432.524 4.952 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2Cc2ccc(Br)cc2)cc1 2322238749 GEBCGZWQVNRYLN-UHFFFAOYSA-N 431.359 4.591 30 10 IJEE CCCOC(=O)COc1c(Cl)cc(C=CC(=O)c2ccccc2OC)cc1OCC 2323702345 PZVPEKCBFYWOFP-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCO4)cc2)cc1C 2324080976 GJQZDKNJQXGZCA-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 2324451594 CJJUYPCUUUHKKV-GOSISDBHSA-N 435.461 4.625 30 10 IJEE CCOc1ccc(C=C2Oc3c(ccc(OCC(=O)NCc4ccccc4)c3C)C2=O)cc1 2324965406 WKGQESOTZXXIRM-UHFFFAOYSA-N 443.499 4.705 30 10 IJEE C[C@H]1C[C@@](C=O)(Cc2ccc(I)c(Br)c2)CCS1 2325273960 BCCXUMRNZYNFMN-IINYFYTJSA-N 439.156 4.697 30 10 IJEE Cc1ccc(CSc2nnc(C)n2N=Cc2ccc(O)c(Br)c2)c(C)c1 2326433060 SKWDQGDMOLJNFF-UHFFFAOYSA-N 431.359 4.846 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cccc(Cl)c1 2326766542 WOCDFZVIINGJCK-UHFFFAOYSA-N 428.945 4.700 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1 2328106463 ZCPGERALXQFKPZ-UHFFFAOYSA-N 442.972 4.644 30 10 IJEE CC(C)c1ccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2[C@H]2CCCO2)cc1 2330889348 AMUYCHUYKJOZKB-OAQYLSRUSA-N 449.580 4.866 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2cccc(F)c2)c1 2331037114 GHSSTEAZMBVZMQ-UHFFFAOYSA-N 437.544 4.996 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3ccccc3OC)cc2OC)cc1 2331080365 OSMMNQIMFITRCD-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C1CCC1 2331484087 JHZUXMRNDPOYMP-UHFFFAOYSA-N 449.580 4.947 30 10 IJEE COC(=O)c1nc(-c2ccc(C)cc2)oc1NN=Cc1cc(Br)ccc1OC 2331937702 SGARVLJNDQIWPM-UHFFFAOYSA-N 444.285 4.654 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1cc(Br)cc(COC)c1 2337143805 BHUXUVJUJSFOTO-QZTJIDSGSA-N 427.383 4.716 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339593751 KIKIEISRYAKRJI-QYZOEREBSA-N 442.365 4.503 30 10 IJEE N#CCCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2349846044 UQTRUFZBLANXSE-UHFFFAOYSA-N 433.131 4.569 30 10 IJEE CC(C)(C)OC(=O)NC[C@]12CCC[C@H](CN(c3ccc(C#N)cc3Br)C1)C2 2357628882 RQTUBKGEGSFQRH-HRAATJIYSA-N 434.378 4.842 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]32)cc(B2OC(C)(C)C(C)(C)O2)c1 2369681426 ZULVMTXXGIEDME-RFRHCEIRSA-N 447.428 4.768 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCC)c1 40096009 IHCKEMZGSGDLMY-XDHUDOTRSA-N 447.531 4.953 30 10 IJEE CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(Br)o1 54643519 RQQCIBQYKOOTRK-KRWDZBQOSA-N 445.342 4.804 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)OCc2ccccc2)n[nH]1)c1ccc2ccccc2c1 59022371 ZFAGHMLXKQPDAF-XYGWBWBKSA-N 431.521 4.630 30 10 IJEE COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 59462522 VXVHMFXTRNFPLR-YDZHTSKRSA-N 448.460 4.878 30 10 IJEE COc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2Cl)c1 64874251 WEFHCZVBWLLZTQ-QFIPXVFZSA-N 448.910 4.819 30 10 IJEE COc1cccc([C@@H]2/C(=C(/O)c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1 102733892 CNMNCLHTRJQDLH-UGUGFTGJSA-N 440.455 4.771 30 10 IJEE CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1[N+](=O)[O-] 102928380 BCERJDLOMQCYHU-HLGQQVFSSA-N 446.916 4.619 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 103109173 JJEMAFPZOKLBBD-AGGMBTAESA-N 434.517 4.554 30 10 IJEE Cc1c(Cl)cccc1/N=C1/SCCN1C(=O)CCc1nc(-c2ccccc2)no1 105393618 WAXVCAVPNYAUPR-XTQSDGFTSA-N 426.929 4.894 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 169925461 LIRRUHYMYAJYTK-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2cccs2)cc1 169982187 IUYBTOQMIFGPSC-HXUWFJFHSA-N 449.488 4.505 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2)c(C)c1 170048215 WHOIMTHAPABSLQ-XMMPIXPASA-N 443.499 4.791 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 170052713 IXUXQMVELOBVES-HSZRJFAPSA-N 429.472 4.877 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccco2)c1 170090206 MDGZIWDKGFKDRI-QFIPXVFZSA-N 433.460 4.697 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)o2)cc1 170102020 JFUFYARFBHSZOL-HSZRJFAPSA-N 447.487 4.692 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170114016 RGTUSUZDGPRKRM-RDPSFJRHSA-N 443.499 4.606 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2Cc2ccco2)c1 170119097 OQXCJKAUZZCIEI-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccccc1OC(C)C 170151062 VABNIQUJLLTHIQ-LJQANCHMSA-N 428.554 4.926 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)c1 170162720 YZLOVQFMQJYVTB-QFIPXVFZSA-N 448.544 4.956 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4ccc(N5CCCC5)cc4)CC3=O)n2)cc1C 170180165 PTRPRNZISOMYTB-UHFFFAOYSA-N 430.577 4.744 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 170238425 BIVUSOOQOOTIMR-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@@H]2c2ccc(F)cc2)c(OC)c1 170242248 PJBHGGLDJQGCNB-JOCHJYFZSA-N 439.483 4.754 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccco1)c1cccc2ccccc12 170281339 CGEUFKDAHIEBLI-QHCPKHFHSA-N 439.423 4.944 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccco2)cc1C 170282086 ZMGNZOJCRLFHKR-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccco2)cc1 170284672 UCJNELQWIKERTL-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccc(C)o2)cc1C 170299443 OWSPHOWHZDIVQZ-OAQYLSRUSA-N 439.414 4.966 30 10 IJEE CN(C)c1ccc([C@@H]2C[C@]3(C)[C@H](CC[C@]3(O)/C=C/CO)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 253618100 RCOWGILQXUPXEW-MJJKQOFZSA-N 447.619 4.932 30 10 IJEE Cc1[nH]c2ccccc2c1C=NNc1nc(Nc2ccc(F)cc2)nc(N2CCCCC2)n1 254735510 IYLPDMQDQBHDAP-UHFFFAOYSA-N 444.518 4.980 30 10 IJEE N#CCOc1ccc(CNc2ccc(I)cc2Br)cc1 394458620 LVBXYBGKCAYJEI-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE C=CC[C@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 427810516 ZOYCKYKPIMTTDP-YADHBBJMSA-N 428.536 4.728 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 475561612 ZJICEEZQQGQGFO-OAQYLSRUSA-N 449.595 4.991 30 10 IJEE C=C(C)C(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 504329045 DVEHRVPFAWVDCV-HTABWPBOSA-N 430.585 4.752 30 10 IJEE C[C@@H](SCc1nc(O)c2c(-c3ccccc3)csc2n1)C(=O)NC1(C#N)CCCC1 514524133 OVLBNHRJLRVBFW-CQSZACIVSA-N 438.578 4.638 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(O)c(Cl)c2)c1 526606501 LEVRDAOWSBXKBL-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC2(CC1)OCCc1ccsc12 555273085 QCVSBVSXALEYEP-OAQYLSRUSA-N 448.592 4.660 30 10 IJEE N#Cc1cccc(CCNC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 565150793 NNHHCAMGORCRCB-UHFFFAOYSA-N 440.272 4.620 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1OC 589589406 LKPWWSXXIIAREC-JOCHJYFZSA-N 440.927 4.502 30 10 IJEE CCOC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=Nc1ccc(Cl)cc1 607736884 CDTLWXJRTGGWRW-UHFFFAOYSA-N 432.911 4.982 30 10 IJEE COc1ccc(C)cc1C1(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)CCOCC1 608917960 GLTZWYAWFXOCCH-UHFFFAOYSA-N 435.568 4.544 30 10 IJEE N#Cc1ccc(F)cc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 687733884 MJYKYOZWDAPPSH-HSZRJFAPSA-N 430.435 4.752 30 10 IJEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1ccsc1Br 699087342 QBPXPURKIHZDAH-UHFFFAOYSA-N 436.180 4.625 30 10 IJEE C=C(C)[C@H](CC(=O)OC[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1)OCC 756564133 YWPVBPFNCPUHRE-PLMTUMEDSA-N 427.463 4.529 30 10 IJEE C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1C#N)c1cc2ccccc2o1 758121273 CVDGLZNIPMQJNK-QWHCGFSZSA-N 430.382 4.746 30 10 IJEE C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 759842325 BTGKEDHMGPEYHW-CHWSQXEVSA-N 444.940 4.541 30 10 IJEE CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 760008179 AINUEAMLTLAPBL-UHFFFAOYSA-N 443.525 4.541 30 10 IJEE O=C(N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)C(F)(F)C(F)F 769643058 YXXMEBKUEQZWKV-SNVBAGLBSA-N 427.238 4.525 30 10 IJEE COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)c1 778294753 MIQGDRAMWLUDRM-FQEVSTJZSA-N 427.485 4.933 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 803525238 KKBMKVMHXSYDSQ-WIYYLYMNSA-N 428.492 4.527 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 1125302173 BDPYXDHMXPCSBR-UHFFFAOYSA-N 448.523 4.973 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)c1c(F)ccc(I)c1Cl 1125642667 SCSOMGICTXSDPF-UHFFFAOYSA-N 443.687 4.955 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)s1 1127869598 AUIQERJTHDXIBO-GFCCVEGCSA-N 427.039 4.976 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1 1128037494 WCJQXKFPKWGDHW-UHFFFAOYSA-N 433.558 4.932 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)CCCN1C(=O)OC(C)(C)C 1128406983 GGZURWVTDMQMBA-VWLOTQADSA-N 443.588 4.760 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC)c1cccc(C(F)(F)F)c1 1136563073 OXAMDFHDCXOZJR-MSOLQXFVSA-N 426.479 4.970 30 10 IJEE CC(C)NC(=O)NC1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCCCC1 1137036624 AWSKBAQQBMIKPB-UHFFFAOYSA-N 438.503 4.839 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2c(Br)c(F)ccc2[nH]1 1147578178 IBCRZIZAYKFLCG-KXBFYZLASA-N 426.289 4.981 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 1148121091 FTYLRSOMPYEDEV-UHFFFAOYSA-N 446.469 4.983 30 10 IJEE COC(=O)c1cc(Br)cc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1C 1162223227 GVHSTOOFBRYBAB-UHFFFAOYSA-N 442.096 4.975 30 10 IJEE C=CCOCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 1164583861 IVZYFTHLAKWLJF-UHFFFAOYSA-N 428.579 4.977 30 10 IJEE Cc1ccc(Oc2cccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)c2)c(C)c1 1171949570 HWEDAHYJQSXZCD-UHFFFAOYSA-N 434.517 4.521 30 10 IJEE C[C@H](c1nnc(SCC(=O)[C@@H](C#N)c2ccccc2)n1-c1ccc(Cl)cc1)N(C)C 1188004448 BWAVQZVVIXYENE-BEFAXECRSA-N 439.972 4.512 30 10 IJEE Cc1cccc(Oc2ccc(S(=O)(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)c1 1209394424 BILIDAKXKIOYBN-UHFFFAOYSA-N 448.544 4.891 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H](c3cncc(Br)c3)C3CC3)cc2n1 1220157224 BOOBOBYQZRZPGU-LJQANCHMSA-N 426.318 4.653 30 10 IJEE C=C(Br)CNC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 1221566602 XROHUOGIFCHJIS-CQSZACIVSA-N 427.140 4.516 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 1223983661 UBFHWOWGVSOHAN-YSSFQJQWSA-N 433.321 4.568 30 10 IJEE C=C(Br)CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 1225421658 DDOQTESDOFQOPY-QGZVFWFLSA-N 440.382 4.584 30 10 IJEE C#C[C@H]1CCCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)C1 1229373205 VARMXTNFYBJWBA-QFBILLFUSA-N 427.545 4.691 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1229990553 WPAWAQOZPOBWMK-ZEQRLZLVSA-N 449.595 4.835 30 10 IJEE C#C[C@H](NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)c1ccc(Br)cc1 1230499272 TVPOITHTKIGCKQ-RTWAWAEBSA-N 445.332 4.653 30 10 IJEE C#CC[C@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccc1 1230565130 DVNVBPFGJLQIFL-QHCPKHFHSA-N 435.568 4.878 30 10 IJEE Cc1ccc(CN(Cc2ccco2)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)s1 1252506716 FHWJEQOONCCAHU-UHFFFAOYSA-N 448.592 4.898 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1252970651 KONSYAHCIJAEBU-VSKRKVRLSA-N 449.636 4.569 30 10 IJEE C[C@@H]1Cc2c(sc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2C#N)[C@@H](C)C1 1273945972 FJAIMCWNQOLUHD-DZKIICNBSA-N 441.984 4.946 30 10 IJEE C#Cc1cccc(CNC(=O)CCc2cc(Br)c(Br)s2)c1 1275924752 AYLJWZOHIVUQGS-UHFFFAOYSA-N 427.161 4.503 30 10 IJEE C=C(C)CN(C)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C 1280050958 RUBXNIBKGHJEOE-QHCPKHFHSA-N 438.568 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCC[C@H](C)C1 1286281926 JOEDFRWBGBSZBR-VXKWHMMOSA-N 437.632 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(F)(F)F)cc1 1286304512 IEZITAHFCXRHCC-KFKAGJAMSA-N 434.506 4.722 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cc(C(CC)CC)no1 1286363580 PBTSEECNBXLWHM-MRXNPFEDSA-N 425.508 4.567 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCOCC(=C)C 1286527146 BYOCBWBWJFOCNQ-AREMUKBSSA-N 436.600 4.874 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H](C)c1c(C)noc1C 1286528297 VWGPXVGJTBYXTG-AFMDSPMNSA-N 431.584 4.854 30 10 IJEE C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C(C)(C)C1 1286592102 JIJNGDLHFWOUBA-SFHVURJKSA-N 434.588 4.514 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@@H](SCC)C1 1286604083 OGROJKFNWQFPJI-OAQYLSRUSA-N 430.618 4.658 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1286643742 UDPOITGCWRHYCS-FXAWDEMLSA-N 443.389 4.845 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC(C)(C)C)CC1)c1ccccc1 1286679196 LWKJPPGHBRHVHT-FCHUYYIVSA-N 438.616 4.926 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2csc(C)n2)n1CCC1(C)CC1 1286742389 YGZRIOVAAORGAP-UHFFFAOYSA-N 432.597 4.888 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C 1286750946 JXAPOJIYERAGPY-FYYLOGMGSA-N 438.664 4.855 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]1c1ccsc1 1286782933 HZUFXDJADBMIFQ-OAQYLSRUSA-N 449.624 4.948 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1289002979 AATNLQHTFCCXQP-NRFANRHFSA-N 432.572 4.685 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCc2csc(C(C)C)n2)c1 1290043910 GEACPIXEVUHOER-SFHVURJKSA-N 438.601 4.727 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CC[C@@H](C)O1 1299073881 OSCHJWREMPUTDW-RRQZXNHTSA-N 448.563 4.544 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cc(C)on1 1300347265 BKYOFQYULDXXSD-UHFFFAOYSA-N 434.363 4.505 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1300365954 CCEFUONXVOXNAQ-GDBMZVCRSA-N 426.433 4.585 30 10 IJEE C=CCN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)[C@@H](C)COC 1300717745 MMEDLFXOLBYTHY-INIZCTEOSA-N 444.457 4.616 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1300982421 HXUKJYNYTSWUEE-FQEVSTJZSA-N 437.613 4.995 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cscn1)c1ccccc1 1301168919 WRJIFQAKORMPHG-NRFANRHFSA-N 447.612 4.593 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)CC1 1301218390 NYGUIDOQDWCBCQ-IBGZPJMESA-N 434.588 4.829 30 10 IJEE CCCC1CCC(N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1307741198 FMDGSKSNFLQLDG-XVAXZDLZSA-N 440.632 4.647 30 10 IJEE CCCc1c(NC(=O)N[C@H](C)[C@H]2OCCc3sccc32)cnn1-c1cccc(C#N)c1 1310576195 HKPJUMNWQKYQTM-IVZQSRNASA-N 435.553 4.582 30 10 IJEE CCCc1c(NC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)cnn1-c1cccc(C#N)c1 1310576198 HKPJUMNWQKYQTM-QRQCRPRQSA-N 435.553 4.582 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 1313347930 BUZVFEVASJHGPE-OAHLLOKOSA-N 427.998 4.745 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)CCc2c(-c3ccc(OC)cc3OC)[nH]c3ccccc23)C1 1337640775 QKNJMGZZKXLDSY-LJQANCHMSA-N 434.536 4.588 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Sc3nccn3C)cc2)CCCN1C(=O)OC(C)(C)C 1349400416 ZNFYXSUGZUBMGM-QHCPKHFHSA-N 442.585 4.856 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(Br)cc1Cl 1351773643 TXPNUDXDORRHFC-AWEZNQCLSA-N 430.730 4.628 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 1352384922 SQSFNNIETNZIGK-UHFFFAOYSA-N 443.219 4.516 30 10 IJEE C=CCN(C(=O)c1ccc(Br)cc1I)c1ccccc1 1357805769 FRNSJIDSMZGNBL-UHFFFAOYSA-N 442.094 4.887 30 10 IJEE C#CCCCCn1c(COCC)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1358917504 SLLMXGVDOOLJGO-IBGZPJMESA-N 437.371 4.503 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@H](c1ccco1)N1CCCC1 1359000886 GUKYJNOJPVTAIX-DHIUTWEWSA-N 431.584 4.710 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC1CCC(OC)CC1 1359007866 ZINZHOGOAFISQQ-UHFFFAOYSA-N 433.556 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOC(F)F 1359066478 CIOQOTNYQNWOHP-IVZQSRNASA-N 434.556 4.753 30 10 IJEE C=C(Br)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCSC(C)(C)C1 1359081542 FSQFWADEAACVKO-UHFFFAOYSA-N 432.391 4.667 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359200649 MKWWBCXDESBFTQ-UHFFFAOYSA-N 435.597 4.634 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1Cc1ccc([C@@H](C)O)cc1 1359263685 JACNQDKMLAZSDX-XMSQKQJNSA-N 438.597 4.875 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCCO1 1359264857 RMGNDQGNPJAUHT-NRFANRHFSA-N 438.597 4.989 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1359279693 POHXOXQXVXTHBZ-BZSNNMDCSA-N 430.980 4.682 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1359289658 ZQHXGWUAOAWUOA-UHFFFAOYSA-N 442.972 4.857 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C2CC2)C1 1359337808 AYAUSVHLWKDLES-QGZVFWFLSA-N 433.419 4.863 30 10 IJEE C=CCC(C)(C)C(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1360057383 NNISQSRRVJBAQJ-LJQANCHMSA-N 430.545 4.784 30 10 IJEE C=CCn1c(SCC(=O)N=[S@@](C)(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 1439423405 HVHDLHDXKKRGKJ-LJAQVGFWSA-N 446.985 4.560 30 10 IJEE C=CCC[C@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1449419334 AOZFTHZBTOYOMC-JOCHJYFZSA-N 441.531 4.758 30 10 IJEE C=CCC1(O)CCN(C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)CC1 1455927115 OGCGPCIMEXUCRG-UHFFFAOYSA-N 444.362 4.940 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 1459262155 GWEZILBEMKYTAU-UHFFFAOYSA-N 447.285 4.927 30 10 IJEE C=CCN(CCOC)C(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C 1459740005 QOPACDLBYMTBKX-KRWDZBQOSA-N 431.360 4.562 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)n1ccc2ccccc2c1=O 1464717952 HGZPFMAJDNLKPX-HNNXBMFYSA-N 443.316 4.679 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)c1 1465628245 CFPAYKGKDWAMOO-UHFFFAOYSA-N 428.467 4.783 30 10 IJEE C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)[C@H](C)CN1C(=O)OC(C)(C)C 1466498202 AQBCMNQIHWYVCF-QZTJIDSGSA-N 434.540 4.772 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 1468847749 JWPCEEMEVCQTCR-AREMUKBSSA-N 445.607 4.531 30 10 IJEE C=C[C@H](CO)NCC(=O)Nc1cc(-c2ccc(C3CCCCC3)cc2)nn1-c1ccccc1 1473668868 UAWMSRVYNMNYNT-HSZRJFAPSA-N 444.579 4.662 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1476429836 OJQUFFZNTFQXLG-HXUWFJFHSA-N 441.572 4.590 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1505173946 CHKFOBQCJVADTO-CQSZACIVSA-N 448.017 4.832 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](CC(C)C)N(C)C 1507524839 XOEDSEQZZHSHSK-AZUAARDMSA-N 427.662 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](CC)N1CCCC1 1507540810 DBHWIMZFXLBCBY-FGZHOGPDSA-N 437.632 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCCCC1 1507766274 YYTBHRKLYPUMPB-WNCULLNHSA-N 449.643 4.903 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1507911445 HEMFZQQBCBEZGA-NHCUHLMSSA-N 440.588 4.916 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1507916455 QTWJWSUEAJBDRR-XZOQPEGZSA-N 443.680 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cnc(C)s1 1507923458 VOUSJHFTLWELLO-UHFFFAOYSA-N 435.601 4.520 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1507939923 UDFKERZHBFLEIZ-ZWKOTPCHSA-N 431.378 4.537 30 10 IJEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1507956501 ALOKYRTXHLOKDT-IYSOMAHNSA-N 440.588 4.564 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1507997538 ZWSDIMJDMMTXAV-HYBUGGRVSA-N 438.616 4.874 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)C1 1514854037 CZRRYVKEOHYGFI-CVEARBPZSA-N 435.403 4.580 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ncc(CC)o2)ccc1Cl 1516645668 HMKBBIZSIZUYLS-UHFFFAOYSA-N 445.928 4.524 30 10 IJEE CS[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC#N)CC1)C(C)(C)C 1519835701 ANQHFRHVJVWTAC-FQEVSTJZSA-N 441.601 4.582 30 10 IJEE C#CC[C@]1(C(=O)OCc2cnc(-c3ccccc3)s2)CCCN1C(=O)OC(C)(C)C 1521110561 NQDIALNCNWYZPC-HSZRJFAPSA-N 426.538 4.646 30 10 IJEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 1521590462 OCHXXELJMDBRAF-MGPUTAFESA-N 434.565 4.636 30 10 IJEE Cc1nc2cc(Br)cc(NC(=O)c3ccc(Br)cc3C#N)c2o1 1523479500 FYHUIIGHPFANLT-UHFFFAOYSA-N 435.075 4.785 30 10 IJEE CCOc1cc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc(OCC)c1OCC 1524655868 ARKHSUORCVXVQJ-UHFFFAOYSA-N 438.402 4.905 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(F)c1O)c1ccc2c(c1)OCCO2 1530677473 FDXHRROCLNFLJG-UHFFFAOYSA-N 435.451 4.714 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)C2=Cc3cc(Br)ccc3OC2)nc1 1536616527 GAOUQRHNYDEXKN-UHFFFAOYSA-N 446.304 4.725 30 10 IJEE C#CCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@H]1CCCc2ccccc21 1538323967 PFCQEHUVCMTBSJ-NRFANRHFSA-N 440.337 4.570 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(C)CCO[C@H]1C1CC1 1538986315 KERHESKXBCVLPX-OSGPJOMKSA-N 433.383 4.915 30 10 IJEE C=CCOc1ccc(CN(C(=O)Cc2sc(-c3ccn(C)n3)nc2C)C(C)(C)C)cc1 1539006261 HISJTOGGSQBBFG-UHFFFAOYSA-N 438.597 4.787 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1539068383 UHGKFSDLNDWHQM-OAQYLSRUSA-N 445.542 4.690 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1539595088 ADWGBHJSSTVMDT-LPHOPBHVSA-N 449.393 4.504 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C[C@H]1CCCOC1 1539711871 CPZFBOFBRSZNDP-LJQANCHMSA-N 432.996 4.690 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1539717689 RPEJMAGTPKBOGO-UHFFFAOYSA-N 441.454 4.684 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccc(C)cc2)CC1 1539835606 FDLCYGADKMGTOU-UHFFFAOYSA-N 440.389 4.754 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1539874258 KZKXIVJVPOQEEG-NOXFTYBFSA-N 440.563 4.941 30 10 IJEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2cccc(F)c2[C@H]1C 1539947117 IVBCRYKNEMZRNE-QGZVFWFLSA-N 427.568 4.816 30 10 IJEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCCC2)C1 1539973882 GIKBHUQZFQIPTG-UHFFFAOYSA-N 435.572 4.625 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)CCC)C1CC1 1540098646 GQTCHTPGNGQABK-NRFANRHFSA-N 433.394 4.722 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1Cc1ccc(F)cn1 1540119358 CBIDVLNKHFPHAI-UHFFFAOYSA-N 435.547 4.794 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@H]1OC 1540121737 VTQXVLKKANLGCL-RBBKRZOGSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc[nH]2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1540128035 ZSOBUQJYNNMCMI-SZPZYZBQSA-N 432.616 4.834 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCc1sc(C)nc1C 1540134229 PKERMJVSCLRTJL-UHFFFAOYSA-N 448.571 4.988 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(Br)cc(I)c1C 1540199187 DTGVQHHXJVEBAZ-UHFFFAOYSA-N 436.131 4.694 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1540855769 UADVBTYZMSNYGV-LPHOPBHVSA-N 443.979 4.620 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(C)C)CC1 1540911149 TUNAEUBRPRZTOB-SFHVURJKSA-N 445.702 4.581 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc(SC)nc1O)c1ccc(C)c(C)c1 1543115065 FTABYYLFZHNAMO-UHFFFAOYSA-N 435.549 4.933 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-c1nncn1C(C)C 1545198643 BBHZAICIUNOCKB-QGZVFWFLSA-N 433.940 4.500 30 10 IJEE N#C[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1 1560129956 HKNFPMQZOCSCID-IBGZPJMESA-N 434.540 4.718 30 10 IJEE C#CCN(Cc1ccc(OC)c(OC2CC2)c1)[C@H]1CCOc2ccc(Br)cc21 1560702563 WHTKHFWFJXYGSX-FQEVSTJZSA-N 442.353 4.958 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)Cc3ccc(OC(F)F)c(OCC)c3)cc21 1563314950 BQJDGOLSPDKZHR-UHFFFAOYSA-N 430.455 4.886 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)C(C)C 1563453559 KMTFFXAKDMQMJR-HXUWFJFHSA-N 439.431 4.524 30 10 IJEE C=CCCSCCNC(=O)N1CCc2cc(Br)c(Br)cc2C1 1565035987 RGUZRKYSTXOBLX-UHFFFAOYSA-N 448.224 4.589 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 1566135268 YACPRSVNTNSOTN-FQEVSTJZSA-N 431.557 4.984 30 10 IJEE C=CC1(CC(=O)NCCCOc2ccc(Cl)cc2Cl)CN(C(=O)OC(C)(C)C)C1 1583857183 NOUIUTTYRTZMRA-UHFFFAOYSA-N 443.371 4.692 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1OCc1cn2cccc(C)c2n1)c1ccc(Cl)cc1 1584688729 BJVHMTCKLLQTIH-QFIPXVFZSA-N 429.907 4.979 30 10 IJEE N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1584702603 FHPDSSNVVSHMCI-FOIQADDNSA-N 446.425 4.962 30 10 IJEE C#C[C@H](NC(=O)Cc1sc(SC(F)F)nc1C)c1ccc(Br)cc1 1584708785 URLKLZZXPQADRZ-LBPRGKRZSA-N 431.327 4.562 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@@](C)(CC)O1 1588279761 AXRWZXZVNFPILO-HRAATJIYSA-N 449.368 4.654 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@H](CC)C1 1588983672 BIDAFILLSBIJDL-VQTJNVASSA-N 444.670 4.733 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C)C1 1589358288 RQLLFNYXUBZRAV-LBPRGKRZSA-N 440.183 4.853 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N(C)Cc1cc(Cl)ccn1 1589515348 MROHTOXVBIARBL-PGRDOPGGSA-N 437.975 4.920 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1593696243 MFYOCLNZTFJYJT-IBGZPJMESA-N 438.494 4.591 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)CC(C)(C)C1 1593825901 FTIJKDCTTFSUDW-GFCCVEGCSA-N 426.790 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1594492270 XESKYOVTJDPSNH-UHFFFAOYSA-N 437.636 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CC=CCC1 1594492275 XIZGCEOKNZDTKP-SFHVURJKSA-N 432.572 4.989 30 10 IJEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1CCc1cc(C(F)(F)F)ccn1 1594923280 LGRAAJRTAMIRLV-UHFFFAOYSA-N 438.457 4.772 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCS1 1595076098 SWBIAKWSLMRXLD-OAQYLSRUSA-N 435.597 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1OCC 1595161498 BTKRVXOBLJLLLZ-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2ccccc2C1)C(C)C 1595165741 LKODYTQFLYJCME-RUZDIDTESA-N 442.611 4.601 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](c2ccccc2OC)C1 1595343234 IKPHXLMDRVTSFX-AWEZNQCLSA-N 445.386 4.958 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC1CCC(OC)CC1)C(C)C 1615269547 GZHKLAMAUGNLPJ-UHFFFAOYSA-N 425.577 4.559 30 10 IJEE CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1[C@H](C(=O)OC)c1cccc(C#N)c1 1616592131 CXWDNCWHGCYRFM-VXKWHMMOSA-N 445.485 4.782 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)ccc2SC(C)C)s1 1616829069 PRENSTPCEWVZAB-UHFFFAOYSA-N 445.031 4.548 30 10 IJEE C#Cc1cncc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 1618194681 INOZHSCQFCMQQH-UHFFFAOYSA-N 426.907 4.841 30 10 IJEE CSc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)ccn1 1620231038 IFSTVSFCTUCJIJ-QGZVFWFLSA-N 432.597 4.854 30 10 IJEE C=CC[C@]1(C(=O)NCc2ccc(CN3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1624534615 ODLNLEHEQKMNNO-AREMUKBSSA-N 441.616 4.635 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC 1624667258 NSIVEKDXBBSSBM-UHFFFAOYSA-N 431.920 4.592 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O 1626689088 IAWRYPCQMXGDGB-INIZCTEOSA-N 446.816 4.539 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC 1627462567 LGRUOJICXDCNLV-CTNGQTDRSA-N 440.588 4.969 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1nc(C2CCCCC2)cs1 1628115280 AZIKZFLVSNOABI-UHFFFAOYSA-N 436.581 4.914 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccn1Cc1ccccc1Cl 1633592360 SHWCTVBZPUWJDL-GOSISDBHSA-N 432.952 4.773 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(F)c(Br)cc1F 1635716064 ILUBZMDGQREWIJ-INIZCTEOSA-N 447.320 4.593 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)C)C3)n1 1635721548 NPLGZQMPGBXIMF-IBGZPJMESA-N 428.580 4.878 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1636894212 ZWHAMHVWKGEGTR-ZDUSSCGKSA-N 425.337 4.585 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C)c1ccccc1 1636978262 WYQHVZFMYFYAFM-WRGVRERRSA-N 428.554 4.801 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 1638333494 GABCNAFKJOWDDJ-RDJZCZTQSA-N 437.378 4.771 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 1639515535 TUPGPLCUHFBQNW-IBGZPJMESA-N 442.560 4.972 30 10 IJEE C=CCn1c(SCc2ncc(Br)cc2F)nnc1-c1cccc(OC)c1 1640970231 JGPVKEVFEBYWJL-UHFFFAOYSA-N 435.322 4.729 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3ccc(Br)cc3)nnc12 1643374206 YMMGBTWNWWIMFC-CYBMUJFWSA-N 441.354 4.846 30 10 IJEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)c1 1647842904 FOETUJDIRKGZSJ-AUSIDOKSSA-N 432.907 4.680 30 10 IJEE Cc1ccc2nc(NC(=O)CN(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)sc2c1 1653969506 AQAYDTUFVKURSF-CQSZACIVSA-N 432.471 4.976 30 10 IJEE C[C@@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 1656431027 BCUINWRUVPSHRN-CQSZACIVSA-N 437.993 4.919 30 10 IJEE COc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 1664158401 GVUMXXLIKJSBPH-YLJYHZDGSA-N 442.560 4.600 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 1671815453 NNYIRVLHFXAATQ-UHFFFAOYSA-N 437.515 4.786 30 10 IJEE C=CCn1cc2ccc(NC(=O)N(CCCOc3ccccc3)C3CCOCC3)cc2n1 1675018390 XXFOEIUZVLCGPM-UHFFFAOYSA-N 434.540 4.704 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1)c1ccc(Br)cc1 1676805842 ZJINTTVPHDXXAT-MGPUTAFESA-N 442.357 4.607 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)[C@H]1CCCc2ccccc21 1676812445 INNGURVDAZBBHW-XZOQPEGZSA-N 432.955 4.885 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCCCC1 1690195956 SVADXAMMRNVPOV-RUZDIDTESA-N 438.572 4.543 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1OC 1690358534 CYCWDIYHAIEWOT-HNNXBMFYSA-N 441.269 4.880 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCCN(CC)CC)CC1 1690369803 ZFJRMJRKXJKHLN-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(SCC)c2)CC1 1690404850 VEPBPMNKVVZXEW-UHFFFAOYSA-N 430.581 4.774 30 10 IJEE C=CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC)c1ccccc1 1690441605 CACMBOVZRKHFJB-QGZVFWFLSA-N 428.378 4.862 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1cc(C)cc(OC)c1 1690577307 GGRFDFVTCUKLDV-FQEVSTJZSA-N 438.597 4.792 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC1CCCCC1)C(C)C 1692408612 GYVGYEVMNMKPNA-UHFFFAOYSA-N 436.604 4.527 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCSC1 1692827651 HFZUYRVDXLCPSZ-SJLPKXTDSA-N 446.020 4.955 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC(C)CC2)c1 1693319184 BLUHOVPDVHVFCQ-FQEVSTJZSA-N 448.640 4.944 30 10 IJEE CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2CC(F)(F)C2)cs1 1694593311 HGPPPXZWXVOFCA-UHFFFAOYSA-N 428.512 4.517 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1705592702 RERONAJKIYSPPN-VWNXMTODSA-N 430.596 4.687 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)CN1CCCC1 1705606956 LYVWZVZWLLGEKM-LJQANCHMSA-N 439.673 4.713 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCC1(C)C 1705620838 IIIDZSLGEXGVTN-JOCHJYFZSA-N 448.590 4.745 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705758852 FVAHQEOJFCMVRW-KRWDZBQOSA-N 426.870 4.620 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1705824914 DMNXHNJTPFIZMJ-HNNXBMFYSA-N 443.539 4.854 30 10 IJEE C=CCN(c1nnc(Cc2ccsc2)n1Cc1ccccc1Br)C1CC1 1705855848 WLAVNCBZRRPUDU-UHFFFAOYSA-N 429.387 4.896 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1Cc1nccs1 1705857414 FOUJXYBRBASFOM-UHFFFAOYSA-N 437.594 4.636 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1706072313 BOUUAVAOQSSKAB-FGSXEWAUSA-N 434.588 4.864 30 10 IJEE Cc1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN(C)C(C)C)c2ccccc2n1 1707271527 FFTYYKJVUVXGFD-AREMUKBSSA-N 445.615 4.662 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(CC)s1 1722282756 OSLRLXXRLBQUHG-KRWDZBQOSA-N 438.597 4.871 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCCC1 1722283315 UPOFXWHBUKNXTD-LJQANCHMSA-N 425.646 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(O)(CC)CC 1722284820 MSMBMKJWABPHIR-INIZCTEOSA-N 426.561 4.822 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCC1(F)F 1722287893 SDPAKQQXRQNLSS-LSDHHAIUSA-N 437.332 4.991 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccncc1Cl 1722298771 IRQBFOWBZULUGI-GOSISDBHSA-N 437.975 4.844 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1ccc(C=C)cc1 1722301176 AJBKOZBZPURGCJ-KNQAVFIVSA-N 449.599 4.694 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)CCOC 1722304384 XDEYNQGSLAXPAY-LJQANCHMSA-N 426.605 4.675 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCC(F)(F)C1 1722403699 ARHUXIXJZIBHLX-HNNXBMFYSA-N 437.332 4.911 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCCN1CCCC[C@@H]1C 1722414485 YGMGFKWWJRIYBJ-FQEVSTJZSA-N 428.024 4.636 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCO[C@H](C)c1ccccc1 1722471888 UZUHPLBCKWAPET-QFQXNSOFSA-N 429.568 4.809 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@@H]1CC 1722530557 WRCRROCRYZAZFC-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722589720 NMPHVOYTVXITCX-FQEVSTJZSA-N 442.579 4.730 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1N(C)CCCC1(C)C 1722635281 OWRSVWYQGZFDNO-UWJYYQICSA-N 427.662 4.874 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CC1CCCCC1 1722657377 ZVAPPXOULYDRDD-UHFFFAOYSA-N 426.568 4.908 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCC[C@@H]1C 1722662891 PKYACTGPTRHPFB-NBGIEHNGSA-N 436.625 4.869 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1Cc1cccc(C)c1 1722675142 XHLQELBWNBXSNH-UHFFFAOYSA-N 433.581 4.819 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1Cc1ccccc1Br 1722677188 WLAJUXPSHVOHHA-UHFFFAOYSA-N 427.346 4.794 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1 1722685563 GCALCCRWPISPJP-QUCCMNQESA-N 425.577 4.776 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@@H](C)C2)C1 1722716941 AGDHVOOPMZCGKQ-MIZPHKNDSA-N 438.616 4.839 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC(F)(F)C1 1740539230 BNIDQCWWBUQOCK-VXGBXAGGSA-N 429.334 4.662 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1scnc1C 1740599887 GZDWGSSNNRHVIV-KRWDZBQOSA-N 444.004 4.765 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@](C)(CC)C1 1740748538 HQJZGOJXHSGNGE-OAQYLSRUSA-N 449.393 4.791 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CC=CCC1 1740767482 VLOXLHKXVWIUMK-IBGZPJMESA-N 429.996 4.736 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1Cc1cnn(CC(C)C)c1C 1740775841 GXNRNNXMVQCXCE-UHFFFAOYSA-N 445.615 4.893 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC(Cn2nc(C)cc2C)CC1)c1ccccc1 1740802942 RSCGQCSIMIDMBB-UHFFFAOYSA-N 432.616 4.920 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1740860832 RSIIFZAPXMUZLT-PXNSSMCTSA-N 430.980 4.969 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740869368 LCLGGVWGKRNOKP-ZIAGYGMSSA-N 425.396 4.739 30 10 IJEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CCS1 1741400855 BCLLFFCYDHTGIP-AZUAARDMSA-N 427.643 4.538 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(O)CCCC1(C)C 1748770428 BFAVLOQJUYSCNX-MHECFPHRSA-N 445.007 4.699 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 1749429230 JMZGDMLMKVWAAT-NHTMILBNSA-N 437.632 4.975 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCCCCC2)CCC1 1749629643 FBDYBMMGSNTZTC-UHFFFAOYSA-N 437.588 4.706 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C)CCCC2)C1 1749719028 MEKPKFCFYVYAIC-HXUWFJFHSA-N 430.980 4.872 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC(F)(F)C1 1751091304 GWCHCVPFCPLGOA-KGLIPLIRSA-N 425.430 4.720 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760158428 NPBMHQLAZIQWBU-NFBKMPQASA-N 436.600 4.573 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1760229170 GFXUYPTVFRVFMW-RTBURBONSA-N 428.024 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1cnn(C)c1C 1760340748 MXJYTFMDAFDWCP-UHFFFAOYSA-N 436.604 4.647 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCN2CCCC2)CC1 1760391796 RHARNOKLBSTXTN-UHFFFAOYSA-N 444.023 4.504 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOCC2(CCC2)C1 1760421982 FPLMJHYBOFITTG-UHFFFAOYSA-N 432.515 4.910 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)cc1C 1760487824 FDVAQPVYSOKJJV-JOCHJYFZSA-N 437.613 4.806 30 10 IJEE Cc1csc(Cn2c(-c3ccc(COc4ccccc4)o3)nnc2N(C)C[C@H](C)C#N)n1 1762232944 CWVYRMOLJXZWRH-MRXNPFEDSA-N 448.552 4.526 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CCSC)o1 1763930100 AAONKCYLZXWTKA-INIZCTEOSA-N 438.601 4.692 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(=O)n(CC(C)C)c1)[C@H](C)CC 1861247679 RTYDGDUBBKVTDC-QPPBQGQZSA-N 447.664 4.906 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1Cl 1862402943 KZGKOUVSPAYTKA-OAQYLSRUSA-N 443.927 4.662 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)c1 1862418783 MPPVTALNDVGQNC-NRFANRHFSA-N 429.463 4.988 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2C(=O)O)cc1 1862533122 GSVXKNMHSUAYTD-QHCPKHFHSA-N 441.483 4.726 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc2ccccc12 1862549428 OWLRXMRSSNWLFM-CRICUBBOSA-N 441.527 4.678 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)c1 1862556009 MWWSYMDOXNBMPP-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE CC(C)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862560372 HOPUZEFOGXLOPX-QHCPKHFHSA-N 427.504 4.566 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862561085 PXQJLUMPLKLLJR-XMMPIXPASA-N 437.499 4.837 30 10 IJEE CCc1ccc([C@@H](C)N2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(O)c2)cc1 1862589261 HSWFYMPPCDUINB-GYCJOSAFSA-N 443.499 5.000 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(F)c2)cc1 1862686810 BUBINTQXKICIHW-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862691524 ORHJHSJQGIMGPS-JOCHJYFZSA-N 428.444 4.548 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc(Cl)c3)=C(c3ccc(F)cc3F)C2=O)cc1 1862944815 HRKPOQVBWUFQPS-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CCCCCCCCCCNC1=C(c2ccc(OC)cc2OC)C(=O)N(C(C)C)C1=O 1863750773 MMEXSOHIQVWSDG-UHFFFAOYSA-N 430.589 4.922 30 10 IJEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870147740 FNLDTBTVMKCRBB-NRFANRHFSA-N 427.895 4.757 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(OC)cc2)cn1CCCCC 1870461471 JDWVGZJADIAMTD-UHFFFAOYSA-N 440.584 4.679 30 10 IJEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CNc1ccc(C(C)C)cc1 1870924268 BMTBFLSKSYIXOY-UHFFFAOYSA-N 437.584 4.598 30 10 IJEE C#CCOc1cn(CCc2ccccc2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1871005761 XMKXPIYHUYCTDP-UHFFFAOYSA-N 443.591 4.870 30 10 IJEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CNc1ccc2cc[nH]c2c1 1871085518 XDPNYWWJKLOTME-UHFFFAOYSA-N 429.520 4.976 30 10 IJEE C=CCN(CC=C)c1nc(=Nc2c(Cl)cccc2Cl)nc(N(CC=C)CC=C)[nH]1 1871734531 XSAFHGCOOPICBL-UHFFFAOYSA-N 431.371 4.701 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 1872265767 KPRGIOOXNNLZGV-QGZVFWFLSA-N 444.981 4.915 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872520847 ZPDACSOSZPDCDO-QHCPKHFHSA-N 428.598 4.842 30 10 IJEE C=CCn1c(C(=O)Nc2cc(NC(C)=O)ccc2C)cc2c(N(CCC)CCC)ncnc21 1873666406 YGEIDHRAMCNNSF-UHFFFAOYSA-N 448.571 4.763 30 10 IJEE C=CCSc1nnc(COc2cccc(C)c2C)n1/N=C/c1cc(OC)ccc1OC 1874324375 BXZCGKPVNDIONA-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2cccnc2)cc1 1874349535 QTPMEEQGWSWPAD-CVKSISIWSA-N 433.512 4.586 30 10 IJEE C=C(C)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874367274 UUPWUDMMCADPSW-UFFVCSGVSA-N 429.889 4.763 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3nccs3)nnc2-c2ccccc2)cc1 1874427398 HNNXJHYNFBHQME-ZVHZXABRSA-N 448.577 4.577 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2-c2ccco2)cc1OC 1874466792 BHBKELFAEQCRDR-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE CCCCc1nnc(SCCO)n1/N=C/c1ccccc1OCc1ccccc1Cl 1874481306 WPLPXBOUJKEDIM-BUVRLJJBSA-N 444.988 4.820 30 10 IJEE CN(C)c1ccc(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C2CCC2)cc1 1874494047 CDGHDBWIRHUJLK-OEAKJJBVSA-N 436.541 4.694 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CC2)cc1 1874517985 URZWUQYPEZKETB-AFUMVMLFSA-N 433.581 4.948 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)c(Br)c1OCCO 1874593100 RWLYCDHWRQXBHI-CSKARUKUSA-N 427.294 4.878 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-])Nc1nccs1 1874612459 WDLKTOHHOZYQTG-GQCTYLIASA-N 443.868 4.618 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)c(OC)c3)c2)c1 1874695308 URYKHIAWYLMUMN-ZRDIBKRKSA-N 432.472 4.757 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)CC)c(OC)c2)c(OCC)c1 1875177383 IQZRJOMOMUKBLU-FMIVXFBMSA-N 428.481 4.713 30 10 IJEE CCCCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@H](C)O[C@H](C)C1)n2C 1875196823 DPOSIHRPWBPDKD-KDURUIRLSA-N 429.609 4.770 30 10 IJEE C#CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)s2)CC1 1891766902 XKMVKHINRSPEFL-UHFFFAOYSA-N 440.366 4.849 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(C#N)N(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 1943919766 WVMGIEVDEHETTO-IXFSTUDKSA-N 437.581 4.522 30 10 IJEE Cc1cc(C#N)cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1951401579 GUDHZMMMXMKEMQ-DEOSSOPVSA-N 426.472 4.921 30 10 IJEE C=C(Br)CCNc1ccc(Br)c(I)c1 1956014389 XJSOILKBUOMSER-UHFFFAOYSA-N 430.909 4.764 30 10 IJEE CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)Nc1ccc(Br)c(C#N)c1 1962835884 YODLITVOMBWYJP-INIZCTEOSA-N 436.350 4.829 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Cc1cc(Br)ccc1Br 1982458417 WJTRZOADLFMNBY-CQSZACIVSA-N 447.167 4.793 30 10 IJEE COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)C=C3N(C)c4ccccc4C3(C)C)n2)cc1 2054611601 MBQWTVFBJYOPTJ-OAHLLOKOSA-N 434.565 4.842 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2076129270 ANQWHASJCSAYPE-MCEYFSPLSA-N 446.632 4.524 30 10 IJEE CCc1nn([C@@H](c2ccc(OC)c(C)c2)C2(C)CC2)c(I)c1C#N 2079934807 VRJLWWZUXJTJKF-KRWDZBQOSA-N 435.309 4.628 30 10 IJEE CCc1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(I)c1C#N 2080051912 GERLUJMALWDJDH-HNNXBMFYSA-N 445.226 4.940 30 10 IJEE CSc1ccc([C@@H](C(C)C)n2nc(C)c(C=NO)c2I)cc1 2080102118 PDUPAKKVHHXGBS-OAHLLOKOSA-N 429.327 4.572 30 10 IJEE CC1(C)OB(C2CC(NC(=O)CCCc3ccc(Br)s3)C2)OC1(C)C 2107500437 GSSWRFVTAVYZCC-UHFFFAOYSA-N 428.201 4.574 30 10 IJEE Cc1cnc(N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2116080765 IEPSIDVCTCLKSW-VXKWHMMOSA-N 436.405 4.509 30 10 IJEE CN(CCN(CC(F)(F)F)c1cccc(Br)c1C#N)C(=O)OC(C)(C)C 2118201621 SCSCOUGTNYTVAN-UHFFFAOYSA-N 436.272 4.556 30 10 IJEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNc1ccc(C#N)c(Br)c1F 2139866031 KLKRJNJNNLBSJF-AWEZNQCLSA-N 426.330 4.907 30 10 IJEE CC1(C)CC[C@@H](Nc2ncc(Br)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 2162313879 ZDLOMGYSYMCOEP-GDBMZVCRSA-N 437.382 4.847 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC(=O)Nc2ccc(Br)cc2C#N)C1 2181148285 XHEOGFQDZFCHCJ-XJKSGUPXSA-N 436.350 4.733 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1cnn(CCN(C)C(=O)OC(C)(C)C)c1 2218307946 QVFZZGZFKGSTEL-QHCPKHFHSA-N 442.604 4.564 30 10 IJEE CCCc1ccc(C#C[C@H](NC)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223316225 OYIZENSJQZFSRF-DQEYMECFSA-N 436.596 4.689 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CC 2224252738 INEHBFKTJRJLJO-WMLDXEAASA-N 429.403 4.566 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@@H](O)C#Cc1ccccc1Br 2235725650 DOGCJIDFPGZCCB-HKUYNNGSSA-N 448.382 4.758 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccccc2Br)CC12CCCCC2 2235729935 JRFJAZIFGOBCPW-QFIPXVFZSA-N 434.374 4.875 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 2235734540 XLWUDVASBUURAC-CUDHKJQZSA-N 433.390 4.567 30 10 IJEE CCCN[C@H](C#CC1CCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2260980764 LJGLSKIPYAIEOJ-SHQCIBLASA-N 439.644 4.718 30 10 IJEE C=CCC1(Oc2c(Br)ccc(OC)c2N)CCN(C(=O)OC(C)(C)C)CC1 2286094662 KLQCDWBOSXDGGM-UHFFFAOYSA-N 441.366 4.765 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)cccc1Br)NCCC 2289529473 WWAQVRJDGFJGFK-OALUTQOASA-N 441.385 4.806 30 10 IJEE CCC[C@]1([C@H](O)C#Cc2cccc(Br)c2)CCCN(C(=O)OC(C)(C)C)C1 2296224336 IZLQZFQIIDJKAJ-KNQAVFIVSA-N 436.390 4.979 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)C#Cc3cccc(Br)c3)C[C@H](C2)C1 2296233249 VRVWQXQEXFNHFP-IRXDYDNUSA-N 432.358 4.653 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@H](N)C#Cc3cccc(Br)c3)CCC[C@@H]12 2296270971 CANFKWZKROYZOQ-KNKQGSTJSA-N 433.390 4.698 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2ccccc2NC(=O)OC(C)(C)C)n1 2315408219 VSCTVIJZRJIHEU-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE COCCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccccc1Br)C3=O 2322016525 ISZWHXPAKXEAJP-UHFFFAOYSA-N 444.325 4.562 30 10 IJEE O=c1c(Br)c(NN=Cc2c(Cl)cccc2Cl)cnn1-c1ccccc1 2322638180 LYCBELAQHPIGHQ-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE CCCN(CCC)C(=O)COc1cc(C=CC(=O)c2ccc(OC)c(F)c2)ccc1OC 2323201715 GHYDSROJZDFCOB-UHFFFAOYSA-N 443.515 4.766 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1ccccn1)O2 2323702013 XRTKGZHIEXSVHR-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE Cc1c(OC(=O)CCc2ccccc2)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O 2323720665 ULJULIKRSXKGKW-UHFFFAOYSA-N 428.440 4.878 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)cc2F)cc1OC 2323743755 WQEOCKBXTGHXBI-UHFFFAOYSA-N 431.479 4.897 30 10 IJEE C[C@@H]1C[C@](C=O)(Cc2ccc(I)c(Br)c2)CCS1 2325273966 BCCXUMRNZYNFMN-YGRLFVJLSA-N 439.156 4.697 30 10 IJEE CCOc1ccc(NC(=O)C(=O)C=Cc2ccc(Br)cc2F)cc1OCC 2325702789 UAGIZJHAIAGUJH-UHFFFAOYSA-N 436.277 4.607 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc(OC)c(F)c3)c2)c1 2325748533 LNVUXJHQKOFRLF-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE COCC(=O)Oc1cc(C=CC(=O)c2ccc(C)c(C)c2)c(Br)cc1OC 2325760242 FORYDFUZGHPWNX-UHFFFAOYSA-N 433.298 4.522 30 10 IJEE CCSc1nnc(COc2cc(Cl)ccc2Cl)n1N=Cc1ccc(O)cc1O 2325912261 YBICNCSFQGRITQ-UHFFFAOYSA-N 439.324 4.569 30 10 IJEE CCCSc1nnc(CCCOc2ccc(Cl)cc2)n1N=Cc1ccc(O)cc1O 2326026132 FCSHTRXBFLBNOH-UHFFFAOYSA-N 446.960 4.739 30 10 IJEE CCCSc1nnc(CCOc2ccccc2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2329207780 KDHGRSQKUFVPGY-UHFFFAOYSA-N 446.960 4.652 30 10 IJEE C=CCSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(Br)cc1 2329758435 MPGXQJHVIXMURL-UHFFFAOYSA-N 431.334 4.931 30 10 IJEE Cc1ccsc1C=Nn1c(SCC(=O)NC2CCCCC2)nnc1C1CCCC1 2331079275 HBHWTKZEOXSRMG-UHFFFAOYSA-N 431.631 4.729 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2c[nH]c3ccccc23)o1 2331393799 SOJZOBNDAIPVAK-UHFFFAOYSA-N 437.525 4.611 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 2331503080 QDEXZSFMYQJEOK-UHFFFAOYSA-N 438.469 4.537 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)C=Cc1ccc(Cl)cc1 2332148327 OOGMVXGOUOJWLT-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1 2332197316 RUYONQZHICICNF-UHFFFAOYSA-N 435.487 4.678 30 10 IJEE CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1cccc(OC)c1 8823830 VQZLBCFXCUDGGX-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE COc1cc(/C=C/C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)ccc1OCC#N 14707003 BUKULKPHMGJYOE-XVNBXDOJSA-N 427.432 4.651 30 10 IJEE CCc1cccc(N/C(=N/C(=O)c2ccccc2C)NCCc2c(C)nn(CC)c2C)c1 32973302 RYVZZKSSFKUWLK-UHFFFAOYSA-N 431.584 4.831 30 10 IJEE COc1ccc(/C=N\N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 47137547 JXWGRTZWFOLTGI-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 102620150 ACDKQLKLIDXAQU-RKKARLDVSA-N 444.443 4.538 30 10 IJEE COc1cc(/C=N\Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc(Cl)c1OC 169942533 BHVZANRQFRMJND-YVNNLAQVSA-N 430.917 4.885 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(Cl)ccc2O)[C@@H]1c1ccncc1 170022993 KALNFAJERIQONH-JOCHJYFZSA-N 434.879 4.543 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccccc2)cc1 170051529 ZEHSDKYBTIQYOD-QHCPKHFHSA-N 441.483 4.819 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(F)cc2)c1 170060823 VYQVWCNXOJUKQZ-IBGZPJMESA-N 438.480 4.691 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cn(C)c3ccccc23)c1 170084026 VTHYJDXDGYZBDA-DEOSSOPVSA-N 438.483 4.970 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170094660 SYBNONSTBBPBSE-HXUWFJFHSA-N 436.851 4.674 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccccc1OC 170125029 ATYFQPXFSCHPTP-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@H]2c2cccnc2)c1 170185498 JYYVAFLQRGSXTG-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)cc1 170198243 VGALDJUZRJRYNB-NRFANRHFSA-N 434.517 4.710 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1cccc2ccccc12 170220453 XCZWVBNNNFBMMO-RUZDIDTESA-N 441.527 4.943 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2C)s1 170272954 KRJNKVKAPYFDEQ-HXUWFJFHSA-N 429.501 4.723 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@H]1c1sccc1C 170319413 WWVSPGGMSYICHB-IBGZPJMESA-N 429.538 4.842 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC(C)C)c2)c1 170347708 YBYIAOBWDIEZKA-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccncc1 170421839 PYFZTPBXDFQBFK-NRFANRHFSA-N 436.870 4.695 30 10 IJEE COc1ccc(C(=O)Nc2cccc(/C=C\C(=O)c3cccc(N4CCCC4=O)c3)c2)cc1 208834008 YDOVCMPZZIGMPC-GDNBJRDFSA-N 440.499 4.970 30 10 IJEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccccc1Sc1ccccc1C#N 441445414 VYTSRRODZDODOG-UHFFFAOYSA-N 430.455 4.734 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 508683716 RVWGIWYJLGHDLF-HOTGVXAUSA-N 437.371 4.603 30 10 IJEE COc1cccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)c1OC 526490452 GBLPXCJAUYACTO-HSZRJFAPSA-N 426.472 4.941 30 10 IJEE CCn1cc(/C=N\n2c(C)nnc2SCc2cccc(C(=O)OC)c2)c2ccccc21 526825742 CPOOATJGCAINAW-CFRMEGHHSA-N 433.537 4.522 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(C2CCOCC2)CC1 548854059 SEADQMRZFXQYLV-LJQANCHMSA-N 440.588 4.646 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 549287644 LXGBXTOANWDVOQ-IBGZPJMESA-N 446.523 4.686 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 558982246 GLSUEXINMMQORR-UHFFFAOYSA-N 430.430 4.631 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 583219064 PKTFOJKSUNKIDU-QHCPKHFHSA-N 446.526 4.769 30 10 IJEE N#Cc1cccc(C(=O)OC2CCC(NC(=O)COc3ccc(Cl)cc3Cl)CC2)c1 586493004 VJBLALRMBPDKJV-UHFFFAOYSA-N 447.318 4.528 30 10 IJEE CCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)Nc3ccccc3C#N)c2)cc1 586730978 AJAPMAHZRSDBME-UHFFFAOYSA-N 428.448 4.631 30 10 IJEE CC1(C)OB(c2cnc(-c3ccc(C(F)(F)F)cc3)c(Br)c2)OC1(C)C 607717935 JXQGHTBWIYCKCK-UHFFFAOYSA-N 428.057 4.829 30 10 IJEE CCN[C@H](C#Cc1ccccc1)c1ccc(I)c(Br)c1 721631204 UDWNCFNKARLQAT-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE C=CCn1c(-c2cnccn2)nn(CN2CCC[C@H]2Cc2c(F)cccc2Cl)c1=S 764899240 QOXKYLDRDYTFQH-HNNXBMFYSA-N 444.967 4.514 30 10 IJEE CCCc1cc[n+](/C(C(=S)NCCc2ccc(F)cc2)=C(/O)c2ccc(C#N)cc2)cc1 789424951 LSWDGEMLVPQRDD-UHFFFAOYSA-O 446.571 4.981 30 10 IJEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CC2(CC#N)CC2)c1 797424320 HMOLDMXKSRUPOQ-OAQYLSRUSA-N 446.576 4.958 30 10 IJEE N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3Cc4ccc(Cl)cc4C3)s2)cc1 800525565 OAYYSPDOOVNZPQ-QGZVFWFLSA-N 441.969 4.644 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nnc(SCc2cccc(Br)c2)n1N 1084074525 WZDJRSCDQKZXHF-YYMLWDJOSA-N 443.374 4.548 30 10 IJEE C#CC[C@]1(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1125637760 HFWFYUNUTCPNRK-IVZQSRNASA-N 439.383 4.834 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)c1ccccc1 1133167530 AFFHORGOQNLFMN-WOJBJXKFSA-N 428.326 4.744 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(OC)CCC1 1142242185 FCZKXLJSPIZZEF-XMMPIXPASA-N 448.563 4.545 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1)c1ccccc1 1149052606 WKYPZXPVQUZMQU-JOCHJYFZSA-N 430.589 4.659 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](c3nc4c(s3)CCC4)C2)CCCN1C(=O)OC(C)(C)C 1155683902 ARIIDXMFOYUYPD-BXKMTCNYSA-N 445.629 4.684 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1155972297 ZFWYNUKFJVAKJT-UHFFFAOYSA-N 432.442 4.893 30 10 IJEE Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc(Br)c(C#N)c1)O2 1157066198 CFYSQJWTHGDLDT-NRFANRHFSA-N 429.314 4.674 30 10 IJEE C=CCn1c(SCc2cccc(C(=O)OC)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1164430539 PFBXWTNNVHHLNM-CQSZACIVSA-N 440.590 4.848 30 10 IJEE C#CCCCNC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1210998931 NTQLOOUQDURVHT-LJQANCHMSA-N 436.408 4.867 30 10 IJEE C#CCN(C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C)[C@@H]1CCOc2ccc(Br)cc21 1246754290 DCIVMHWYYJEDKK-PFRQMTDMSA-N 433.390 4.990 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCC[C@H](c2nnc(S)n2C2CC2)C1)c1ccccc1 1254754349 IPFPRVANKMJXEQ-ICSRJNTNSA-N 425.602 4.888 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@H]2CCCO2)C1 1256718587 CJQVAFKBDWTMOT-CVEARBPZSA-N 444.988 4.774 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 1272193897 VDNUDHVHZVLRFE-QGZVFWFLSA-N 449.382 4.729 30 10 IJEE C#C[C@H](NC(=O)Cn1c(-c2ccccc2)nc2ccccc21)c1ccc(Br)cc1 1275474773 RFUOSKHQZGWPTA-FQEVSTJZSA-N 444.332 4.957 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(CCOC)CCCCC1 1286296747 RLKJSQMGLSBIGM-GOSISDBHSA-N 430.543 4.592 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](CC)C1 1286315536 DFXQRAUBCXGMRK-QHCPKHFHSA-N 431.584 4.771 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286317896 QBJCURYJLKVTFE-WMZOPIPTSA-N 432.399 4.728 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCC1(C)C 1286406214 SIVCNNPHHMTWLM-QGZVFWFLSA-N 425.374 4.607 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2)CCC1 1286424704 IDKYMELHLDECQI-UHFFFAOYSA-N 429.955 4.578 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286533278 GDOONZYMQOFESJ-CVEARBPZSA-N 444.377 4.519 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1286560808 JBYCUWUNPDFZIE-PERKRYKHSA-N 439.510 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC=CCC1 1286582908 GXPBRQWNTJIKEQ-AQNXPRMDSA-N 429.609 4.808 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1C(F)(F)C12CCC2 1286583733 QYYJZHQEBUFUTM-IBGZPJMESA-N 432.515 4.704 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCCCN2CCCC2)CC1 1286637732 LSAPHEJIHXUIJL-NRFANRHFSA-N 441.595 4.980 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2oc(CCC)nc2C)CC1 1286663854 KYIZKMARZWDNTI-UHFFFAOYSA-N 439.535 4.696 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(C)on2)CC1)c1ccccc1 1286677538 DMCGLSBJPNCHIV-OFNKIYASSA-N 448.615 4.770 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(CCC(C)(C)C)CC1 1286684051 CXVCJVYIDLIVNR-UHFFFAOYSA-N 425.621 4.868 30 10 IJEE C=CCSCCn1c(N2CCS[C@@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1286836796 QOXFIFYEMULEOE-FQEVSTJZSA-N 428.671 4.999 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)C1 1287978676 DDXWSTTVOQBNOW-CYFREDJKSA-N 441.023 4.849 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2cccc(CN3CCCCCC3)c2)c1C#N 1292377722 IBAFPIBRDLRWCK-UHFFFAOYSA-N 434.609 4.859 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC1CC(OCC)C1 1300283097 LHPVGAFVLJHMKH-PGYGNJIDSA-N 426.630 4.939 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@H]1C 1300339676 QUIMAMAKMFDFMO-RTBURBONSA-N 430.980 4.717 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H]1Cc1cccs1 1300423459 QEWDEOCZAQIXTR-LJQANCHMSA-N 436.581 4.552 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCC1CCOCC1 1300437958 AVCGYBQKWYKRRB-UHFFFAOYSA-N 435.597 4.653 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC1(C)C 1300564585 FTYHDDKGYYSKRM-FQEVSTJZSA-N 428.536 4.626 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1300999919 KDFGREWEXVFJLP-HSZRJFAPSA-N 444.670 4.805 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CCC1CCOCC1 1301338304 VPWFTNJHGCFQSD-UHFFFAOYSA-N 447.583 4.666 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCCCCC2)nc1 1304520420 DTHPYPTUMKFDIJ-OAQYLSRUSA-N 443.599 4.816 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C(C)(C)C)n2)C[C@@H]1C 1305153774 FWPKUZKWQCPCIM-CALCHBBNSA-N 434.613 4.906 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(OC)CCCCC1 1305660860 ATMGYGSJNRXJCK-NZQKXSOJSA-N 425.552 4.611 30 10 IJEE CCc1nc(C#N)cc(Sc2nnc(-c3cccc(C)c3)n2-c2ccc(OC)cc2)n1 1306920213 FXQLSOIHFZVYMG-UHFFFAOYSA-N 428.521 4.627 30 10 IJEE C#CCOc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 1308408957 MITGMCONPQVHIV-UHFFFAOYSA-N 438.487 4.749 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 1310862668 QVORKCKFJHHQDN-FQEVSTJZSA-N 439.350 4.600 30 10 IJEE C=CCC1(CNC(=O)NCc2ccc(Oc3c(OC)cccc3OC)nc2)CCCC1 1311605409 BVLHSIGROKXQJS-UHFFFAOYSA-N 425.529 4.827 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 1313003536 ZKZNMAWWZKPSTC-NCOADZHNSA-N 433.515 4.608 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1ncccc1C)c1ccc2c(c1)OCCO2 1350583604 NXXLUXQMESPOMF-QBFSEMIESA-N 442.515 4.973 30 10 IJEE C#CCC1(C(=O)NCCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CCCCC1 1355635271 VKYJEDFDFZVLIQ-UHFFFAOYSA-N 432.564 4.645 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCSC(F)(F)F 1358899221 JJKGXSJKKLSGOT-LBPRGKRZSA-N 434.940 4.935 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1csc(C)n1 1358938841 KJHFVFQLJYHQOB-INIZCTEOSA-N 444.004 4.765 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCC(F)(F)C1 1358971754 HZWUJIIDVBTJLR-IAGOWNOFSA-N 428.552 4.640 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCCC[C@H]1CC 1358972635 MEIBHZWNVLATKV-XMMPIXPASA-N 431.628 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](CN3CCCC[C@@H]3C)C2)nnc1C(C)(C)C 1359104909 HIDVNEPYMHHLDG-GPJHCHHRSA-N 443.680 4.648 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1359127308 NMBPBXFJEIHHFF-VWLOTQADSA-N 430.556 4.525 30 10 IJEE C=C(C)COCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1C1CCC1 1359128267 OVSMGNUZBWTNLG-FQEVSTJZSA-N 432.515 4.908 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359190617 WSZSUVXBCOQVLT-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC)[C@H](C)C1 1359198067 HJSYVZMSSZMLCA-IRLDBZIGSA-N 425.621 4.922 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC1C[C@H](C)O[C@@H](C)C1 1359254176 HZYBXMANYYSTEG-OALUTQOASA-N 435.572 4.678 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCc1ccsc1 1359256661 MNEOKHKIFFRWQM-QFIPXVFZSA-N 433.581 4.541 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1ccnc(SCC)c1 1359258833 DMMABZIRMBHPBE-OAQYLSRUSA-N 435.597 4.878 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCCC1(C)C 1359268856 FSCWINXCJKEMJS-QFIPXVFZSA-N 445.405 4.827 30 10 IJEE C=CCN(C(=O)c1cc(-n2cccc2)ccc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1435902183 YPVQQNCLFIPSKY-HSZRJFAPSA-N 436.939 4.933 30 10 IJEE C#CCOc1ccc(CNC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)cc1 1436300858 XRENBWRIIZMFPM-UHFFFAOYSA-N 449.557 4.827 30 10 IJEE C#C[C@H](NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])C1CCOCC1 1437869627 DHHAIQYFESHWQK-SFHVURJKSA-N 430.913 4.558 30 10 IJEE C=CCC[C@@H](NC(=O)Cc1ccnc(O)c1Br)c1ccc(C(F)(F)F)cc1 1458171593 DGSSZPMCXOGWNG-OAHLLOKOSA-N 443.263 4.935 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1S[C@H]1CCCN(c2ccc(C)cc2)C1=O 1458986313 QABNIWBTOOFMAY-NRFANRHFSA-N 434.565 4.639 30 10 IJEE C=CCOc1c(Br)cc(CNCC(C)(C)N2CCC[C@@H](C)C2)cc1OC 1461100876 MKKAVEHBRUFWRD-MRXNPFEDSA-N 425.411 4.623 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2C[C@H](SC)C2)nnc1-c1ccc(Cl)cc1Cl 1461930270 WOCKWYJWADDPPN-JOCQHMNTSA-N 443.425 4.540 30 10 IJEE CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)sc2C1 1466331523 FIEJBUVHRMWGNS-LJQANCHMSA-N 437.613 4.515 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](CCC)C1)c1ccc(Cl)cc1F 1470665788 JHHGNZGPPCTEKO-REWPJTCUSA-N 427.951 4.850 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(NC(=O)c3cccc(C)c3)CC2)cc1OC 1474653003 WTRCBAWTBCSBEP-UHFFFAOYSA-N 428.960 4.616 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)ccc1Br 1474948801 DCMACWGGILNVDZ-GOSISDBHSA-N 439.762 4.794 30 10 IJEE C=C(C)COc1cccc(NC(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c1 1476104468 VQXGUXGEYDDYJT-GOSISDBHSA-N 439.339 4.852 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]1c1ccc(C)o1 1507579395 VIMXVHIGGMWKLD-KRWDZBQOSA-N 442.361 4.702 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCc1ccccc1C(F)(F)F 1507671204 FSGPKKMKLPKTCR-UHFFFAOYSA-N 442.510 4.655 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)CC 1507794320 HKLHXBIBXUARAP-LPHOPBHVSA-N 449.393 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1cnn(CC)c1 1507805319 MPBJIZLHKNODKQ-SMIHKQSGSA-N 448.615 4.654 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1cnc(C)s1 1507838723 XGCCPKMJRMHPDL-UHFFFAOYSA-N 447.992 4.601 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1507936683 IANZIEHWNBBJKS-CTNGQTDRSA-N 442.007 4.987 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1507945553 CWDUFROYXWGUBS-LJQANCHMSA-N 425.577 4.665 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCS1 1508007699 FPBDMYNWKHFGBQ-XMMPIXPASA-N 437.588 4.881 30 10 IJEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1csc2ccccc12 1508010463 VGEUSQLJMNVYCF-DEOSSOPVSA-N 438.597 4.760 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[C@@H]21)C(C)C 1508011395 RDLZJCIRTURPTK-PCCBWWKXSA-N 441.023 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CC[C@H](C)C2)C1 1508119281 ZRZSQXBPKMYOIK-ZVVDCOBXSA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](CC)C1 1508151114 VAUPZSWIUXUJHL-GOSISDBHSA-N 432.659 4.810 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1508161518 FTLNYJNWZMQODP-UXHICEINSA-N 433.021 4.589 30 10 IJEE CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1508737697 LYILCMGFRRMQAH-UHFFFAOYSA-N 445.552 4.520 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1510288735 HXFZWHQNMFZWJY-HOYKHHGWSA-N 425.552 4.953 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1519986414 IOEGTWFJMGOLEN-QGZVFWFLSA-N 430.545 4.784 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(-n2cncn2)n1)c1ccc(C)c(C)c1 1523053108 DILITBFPFTVSFL-UHFFFAOYSA-N 439.519 4.691 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)s2)[C@@H](c2ccccc2Cl)C1 1524018151 AKDWUIWYLXDAIS-QGZVFWFLSA-N 431.945 4.707 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)c(C#N)c2[C@@H]1C 1524019601 BWJMPLDRJCWDGH-GHMZBOCLSA-N 446.458 4.552 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCCN1C(=O)OC(C)(C)C 1524626628 MULIGZGPONCGCO-NRFANRHFSA-N 437.924 4.552 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1527475328 DNUWMIUVTYUBGO-LJQANCHMSA-N 442.581 4.969 30 10 IJEE CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2=O)cc1 1530993274 GXZDPYBXWAXISO-KRWDZBQOSA-N 429.442 4.911 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3c(F)ccc4c3OCO4)s2)c(C(F)(F)F)c1 1533701657 GDBLVTWNRHLGKS-UHFFFAOYSA-N 449.385 4.744 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 1535743468 HUIOTEATBQXXKN-OALUTQOASA-N 432.524 4.777 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1c2ccc(Br)cc2CCC1(C)C 1537059967 SMEDGCNBZGYOEZ-UHFFFAOYSA-N 442.357 4.729 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1537398910 JKWTVRXPHHXRJO-KRWDZBQOSA-N 444.453 4.598 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1OC 1537890478 QVGMYLJDJJRZDL-NTMALXAHSA-N 447.362 4.929 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cnn(CC(C)C)c1C 1539034446 DBYJIXJHSLEPGS-IBGZPJMESA-N 436.629 4.546 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](CCOC)C1 1539095265 BABWSJXNKFFIFE-JOCHJYFZSA-N 431.584 4.629 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(OC2CCCC2)CC1 1539097105 BXTGNCRRFYZOGW-UHFFFAOYSA-N 444.526 4.888 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@@H](C)N1CCCCC1 1539342928 CEXASINKZVAKTH-FYYLOGMGSA-N 437.632 4.759 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(OC(C)C)c1 1539595794 GAILASVMYAYDPF-GOSISDBHSA-N 449.393 4.504 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCCCCCC1 1539641164 LFHHFOKZRLGGNU-CVDCTZTESA-N 428.552 4.748 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539902866 OXQUDXVOTOWPAI-PCCBWWKXSA-N 431.669 4.720 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](CC)C1 1539907321 ZOBVUHIVFGWSTN-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539924708 XOKOSQYXAWGKHQ-UYAOXDASSA-N 445.652 4.963 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1540077878 UJUYOUNVXJJBAT-IBGZPJMESA-N 448.011 4.694 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC1(C)C 1540133486 GRKIFCRSIYCFMQ-CJFMBICVSA-N 442.579 4.697 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC1CCC(OC)CC1 1540136736 KBPGMZURXSHDHJ-NJEKYYFSSA-N 442.579 4.709 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccn2C)n1CCc1scnc1C 1540180715 SZLVTLNAYPZXSN-UHFFFAOYSA-N 432.597 4.526 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1542447529 KGDMWFOLOVBVRB-FGZHOGPDSA-N 428.573 4.575 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@]23CCCC[C@H]2C3)c1 1544300197 VFCWUXABBBPWLS-MBSDFSHPSA-N 444.984 4.784 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)C)C2)C1 1546105931 CRRUKOGHYOBVJC-QFIPXVFZSA-N 434.632 4.954 30 10 IJEE C=CCCCN(CC)C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C 1558698904 RDMDSOZPKNAQJN-MRXNPFEDSA-N 428.495 4.745 30 10 IJEE Cc1cc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)n(-c2ccccc2F)n1 1559371951 GVUZMNNFLZTJGE-UHFFFAOYSA-N 443.507 4.984 30 10 IJEE C=C(C)[C@H](NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)c1ccc(F)c(F)c1 1559767300 WUDVXZHKAAABSW-RXVVDRJESA-N 436.543 4.978 30 10 IJEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](COc1ccccc1)c1ccccc1 1561236014 CALFMANQATZQKA-HXUWFJFHSA-N 446.450 4.676 30 10 IJEE C#CC1(NC(=O)Nc2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)CCCC1 1562794473 XDSXYFOXEPPUQW-UHFFFAOYSA-N 439.581 4.750 30 10 IJEE CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1564335243 ADYSWUWLDGRCON-FQEVSTJZSA-N 434.584 4.508 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCN1Cc1ccccc1 1565112498 OPYTYFJHLKQVAT-FQEVSTJZSA-N 446.364 4.560 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1583091968 HHLXRUWKOUVBPR-SFHVURJKSA-N 430.589 4.681 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N(CCC#N)Cc2cccnc2)c2ccccc21 1583568905 BGYRBEVKIADKPE-HXUWFJFHSA-N 434.540 4.643 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCc2cscn2)c1 1584271762 RVGDBFCEWUIHHG-LJQANCHMSA-N 431.558 4.910 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CCC(C)C 1589347162 HSVJOKVJGGUNRJ-UHFFFAOYSA-N 437.382 4.743 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC)CC1CC1 1593878055 CJKHXPCYKFYGGF-SFHVURJKSA-N 438.016 4.772 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1594767720 ZGBMIWPZASVKSO-FQEVSTJZSA-N 439.947 4.529 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCS1 1596789114 FVQVUAODSXVLPI-JTDSTZFVSA-N 434.009 4.953 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1cccc(C(F)(F)F)c1 1597639357 CXBSVLSGPZWZFX-MRXNPFEDSA-N 434.886 4.790 30 10 IJEE C=C(CCC(=O)OC)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 1597712670 FJOWUXBCTGLUNR-UHFFFAOYSA-N 434.414 4.714 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC 1616553287 QHPSDMMELQOUND-XJKSGUPXSA-N 447.359 4.728 30 10 IJEE COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C[C@@H](O)COc2ccc(CC#N)cc2)c1 1616558534 APXHCGCNMUUQOB-FQLPYIGMSA-N 442.559 4.732 30 10 IJEE COCC1(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)C[C@@H](C)C#N)CCC1 1619652873 FPYXGANVXCLPPZ-IBGZPJMESA-N 439.604 4.567 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1621949463 OHCWNRCZBGSSKI-HNNXBMFYSA-N 447.500 4.848 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cc21 1627746880 UFGAASSZROMDIS-HSZRJFAPSA-N 429.565 4.673 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1ccc(Br)cc1 1631208062 LGWWZKDZZSNWGN-KDOFPFPSSA-N 431.330 4.509 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 1634215953 ONCZQKURKGBFDC-LAUBAEHRSA-N 429.904 4.571 30 10 IJEE C=C(C)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1634557418 TUBIULRYCFZYAR-VWLOTQADSA-N 426.516 4.959 30 10 IJEE C#Cc1ccc(NC(=O)c2sccc2NC(=O)Cc2ccc(Br)cc2)cc1 1637033943 AMQVNFGPQVVJBH-UHFFFAOYSA-N 439.334 4.925 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1ccc2c(O)ncnc2c1 1638824879 IDUVEIHQCMDDAO-UHFFFAOYSA-N 433.283 4.877 30 10 IJEE C=CCn1ncc2ccc(NC(=O)CCc3cnc(NC(=O)OC(C)(C)C)s3)cc21 1639693416 BEZRWGUYDNEVRQ-UHFFFAOYSA-N 427.530 4.597 30 10 IJEE C=CCCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 1640110413 QZXFMQLYTYAPOD-UHFFFAOYSA-N 436.961 4.578 30 10 IJEE C#C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1N)c1ccc(Br)cc1 1641521620 QJIVHJUBLXIAGS-CQSZACIVSA-N 442.538 4.552 30 10 IJEE C=C[C@@H]1CCCCN1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1642930689 TXDCAEUJXHMNJP-HXUWFJFHSA-N 431.458 4.937 30 10 IJEE C=CCn1c(S[C@@H](C)c2nc(C(=O)OC)co2)nnc1-c1ccc(Br)cc1 1643495293 VQFBROYPAZEPDP-NSHDSACASA-N 449.330 4.522 30 10 IJEE N#Cc1ccc(CN(CCCOCCc2ccccc2)c2ccc3nc(O)[nH]c3c2)cc1 1644838038 UIAYNIAMBGHHCA-UHFFFAOYSA-N 426.520 4.796 30 10 IJEE C=CC[S@@](=O)(=NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 1646625401 QGYBDVFMIZSCKZ-HPPKWHDBSA-N 432.586 4.794 30 10 IJEE C#CCN(C(=O)c1cc(C)n(Cc2ccccc2)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1649383340 QEVWRJSKRKULSX-UHFFFAOYSA-N 449.595 4.628 30 10 IJEE Cc1nn(C)c(N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1C#N 1653318322 DIJQXDVLILIBCL-UHFFFAOYSA-N 449.549 4.613 30 10 IJEE C=CCN(CCC#N)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OCC 1654550742 AFWVPZOPLYUYNK-UHFFFAOYSA-N 431.945 4.585 30 10 IJEE COCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 1657110931 BUIXGHNCKSHZHW-AWEZNQCLSA-N 439.865 4.879 30 10 IJEE C#CCN(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@@H]1CCCc2ccccc21 1658622410 HBVNPSKNRLOEDR-RUZDIDTESA-N 429.564 4.786 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(OCCNC(=O)OC(C)(C)C)cc1 1660701844 VXNHGDVGUAGOQL-NRFANRHFSA-N 439.556 4.899 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 1661161077 SNRVMIQIEUYSKQ-FQEVSTJZSA-N 428.602 4.539 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)c2)s1 1662278439 CQUZKDMLHYJFSF-UHFFFAOYSA-N 440.443 4.923 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 1665005494 CLNNTZVGNJJRSQ-NHYWBVRUSA-N 426.298 4.881 30 10 IJEE C#CC[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(OC)cc1OC)c1ccccc1 1669003979 IMHXTFBUYLSSIR-AHWVRZQESA-N 444.531 4.866 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(CCO)[C@H]1CCCc2ccccc21 1670844961 HCZPDHMAXAMJGS-FQEVSTJZSA-N 445.357 4.918 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1675072645 KZWRKZOSFZFKEV-KRWDZBQOSA-N 436.434 4.512 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)N(CC)Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1 1680908946 FIGOHAUERCBKRR-UHFFFAOYSA-N 448.654 4.845 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCSC 1689837501 HJFDKEITMYVTTA-GFCCVEGCSA-N 427.799 4.572 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1689881135 HDFVKEVVDKGOLW-UHFFFAOYSA-N 428.964 4.524 30 10 IJEE C#CCCCCn1c(N(C)[C@@H](C)c2cc3ccccc3o2)nnc1[C@@]1(OCC)CCOC1 1689907054 ZJOHJWXLCCYBJN-UQBPGWFLSA-N 436.556 4.677 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(Cc2ccsc2)CC1 1689913797 VMAVALXICCGDTR-HSZRJFAPSA-N 433.625 4.617 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1689937369 XWCIDIRSSGPOAB-PKTZIBPZSA-N 436.600 4.671 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H](C)c1c(C)noc1C 1690055305 RQIFPXNCULOHOY-IBGZPJMESA-N 447.608 4.750 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC2(CC2)C1 1690304752 MZAPIGFFWHKRJX-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C1CCCCC1 1690428428 PKKSOXRIJLOLAW-UHFFFAOYSA-N 448.615 4.953 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1 1690444796 MFISMKPDVACPKC-FQEVSTJZSA-N 436.991 4.575 30 10 IJEE C=CCN(c1nnc(-c2ccc3ccccc3n2)n1CC[C@@H](OC)C(F)(F)F)C1CC1 1690540897 GAADBIFRBNCFSY-LJQANCHMSA-N 431.462 4.616 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690560711 ZPPHGIXPWDMPSW-BJKOFHAPSA-N 431.584 4.981 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CCN1CCc2sccc2C1 1690585981 BVHJCJYGSYEQDJ-UHFFFAOYSA-N 440.016 4.897 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](SC)C(C)(C)C)C1 1690695026 ZTIWCHCROHLMMB-YLJYHZDGSA-N 430.618 4.513 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1c(C)noc1C 1705592636 OYXVSYVSWBEGGY-UHFFFAOYSA-N 442.350 4.562 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 1705728472 LYSCFMPHGAZIQM-JFIYKMOQSA-N 448.637 4.606 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705790276 PBSNCYCNSGFCPX-HXOBKFHXSA-N 430.980 4.585 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cccs1)c1ccccc1 1705796809 KRLFQMVKSBVYFT-RLLQIKCJSA-N 435.597 4.848 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC2CC2)CC1 1705814287 KBHPTMWLFXMPTK-UHFFFAOYSA-N 444.421 4.514 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1705819227 HGIMFSGCYPOEKG-UHFFFAOYSA-N 427.549 4.789 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C)(COC)CC1 1705826573 GGFJMGVLFBDMON-UHFFFAOYSA-N 449.599 4.647 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@](C)(O)CCC)C1CC1 1705850997 QIQPLOFCDPBXSY-FQEVSTJZSA-N 437.357 4.553 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)c1ccccc1F 1705889727 ABSNFGKQFNFCNB-MSOLQXFVSA-N 443.567 4.915 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC(F)(F)C1 1706068216 GOHMTFGSEZNCOP-KGLIPLIRSA-N 425.430 4.578 30 10 IJEE Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)[C@H](C)CC#N)c(OCC(F)(F)F)c1 1707499926 HSHNIEDMJVWISK-MRXNPFEDSA-N 437.510 4.903 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@H](OCC)C(C)C 1722379421 HYWOBJMEAJHERE-CTNGQTDRSA-N 438.641 4.655 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCc1cccc(C)n1 1722476343 RJVYMMKSHVNAFY-HHHXNRCGSA-N 443.595 4.802 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722501466 HDYBTERWBKVFBX-UHFFFAOYSA-N 447.583 4.923 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@@]2(CCSC2)C1 1722547865 OXWASHFDQSGSRS-JOCHJYFZSA-N 449.020 4.828 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1722560841 FGKGNMUKPDKZFI-IBGZPJMESA-N 439.604 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1722591754 LTLYTVGDOKTWDW-NRFANRHFSA-N 448.615 4.930 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722600728 RUQQKFHWMFLWJY-OAQYLSRUSA-N 425.483 4.553 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1 1722658976 NROVGHCWDAZOTM-UHFFFAOYSA-N 426.515 4.835 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCOC[C@@H]1C 1722667724 IDADYPPPDYXIQK-GBESFXJTSA-N 426.630 4.982 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1722737625 NBJGVJNXPMIADR-UHFFFAOYSA-N 447.612 4.895 30 10 IJEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCCC(F)(F)C2)n1 1724495915 FBIZTILFNZDYKA-PGRDOPGGSA-N 428.531 4.994 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](SCC)C1 1740572425 LACHIOMUNKJVCI-IBGZPJMESA-N 426.586 4.589 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1C(F)(F)C12CCC2 1740618376 DOILEPIUFQMTIA-IBGZPJMESA-N 448.945 4.756 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC1(Sc2ccccc2)CC1 1740656352 LLCZECUJPWBYCU-UHFFFAOYSA-N 432.618 4.718 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC1CC(F)C1 1740738798 PLSMNLGRPJIUNI-UHFFFAOYSA-N 445.283 4.639 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC=C(C)CC1 1740753083 FIEMQVIOWGQUQQ-UYAOXDASSA-N 443.389 4.845 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740763860 QRYGHVYFTVQJMT-ONTIZHBOSA-N 444.645 4.696 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccc(C)cc2)n1CCC(=O)NC(C)(C)C 1740777061 LFMGSDJHSDTATM-UHFFFAOYSA-N 429.634 4.586 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1740922791 SNFRFMQLDYCZGH-INIZCTEOSA-N 427.540 4.540 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(C)CCCS2)C1 1740983883 RQKRBDNUXXHABD-HYBUGGRVSA-N 442.629 4.541 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)C1 1740984127 WMESZUGMNWSACN-QZNHQXDQSA-N 430.637 4.633 30 10 IJEE COc1cc(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1Cl 1748528986 GJGTWEXNDNIPAC-XXBNENTESA-N 443.979 4.554 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)c1ncc(C)s1 1748655736 FFIMWWHNXWHGMO-UONOGXRCSA-N 429.977 4.634 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1csc(C(C)(C)C)n1 1748777168 BAZNOTOFNZAZOU-UHFFFAOYSA-N 431.968 4.804 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(C(F)(F)F)CC1 1749135291 DJMUWLGJGABKPG-SIKLNZKXSA-N 448.533 4.823 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnccn1 1749438043 PERBUVHWVXENEU-UHFFFAOYSA-N 433.343 4.557 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C2CCC1(C)CC2 1749447588 IAAFXXGJZBKRJP-UHFFFAOYSA-N 449.368 4.961 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@@H](C)c1nc(C)cs1 1749547313 OCVCOHRNBZANQN-APWZRJJASA-N 441.576 4.682 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@]1(C)CCCS1 1749586106 LZMUARZVHOZREI-RUZDIDTESA-N 433.625 4.785 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1CCCN(C)C1CCCCC1 1750069097 GGDSGHLKDKJKIO-GOSISDBHSA-N 429.012 4.849 30 10 IJEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1760142306 YPSHIMYSBWVMIW-JOCHJYFZSA-N 434.540 4.912 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2C[C@H](COC)OC)CC1 1760382282 NDQYQUOIRMPBGV-AZUAARDMSA-N 448.995 4.506 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1760414807 DEWOLTMUDYUOGP-UHFFFAOYSA-N 443.599 4.783 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760415992 QZKJVULSUGCDCD-RTWAWAEBSA-N 439.648 4.941 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC(NC(C)C)CC1 1760435887 ZKZPDUQSWARYOG-UHFFFAOYSA-N 432.410 4.641 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1nnc(CC)s1 1760478463 IVBRGENZNWAJTB-UHFFFAOYSA-N 440.617 4.530 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCS1 1760480305 QTJKJVKNOQGZPG-VWLOTQADSA-N 444.608 4.614 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CC[C@@H](C)N1CCCCC1 1760488433 VRMSTWKQVZRNKX-TZIWHRDSSA-N 429.634 4.648 30 10 IJEE CC1(C)CCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1 1761542202 FDMRXOMMZZCFNM-DHIUTWEWSA-N 445.970 4.809 30 10 IJEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C(C)C 1767050443 CWRDSVDBURGAAG-OAQYLSRUSA-N 434.613 4.778 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCCCCC1 1771538015 BPHLKYMEXGILKP-UHFFFAOYSA-N 427.980 4.814 30 10 IJEE C=CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1ccccc1C(=O)O 1772761628 CBKNBPWZRUSJFE-OYBLBNEUSA-N 443.322 4.937 30 10 IJEE CCCCCCOC(=O)N=C(N)c1ccc(NC[C@H]2N(C)c3ccccc3N2CC)cc1 1848440288 VGWSMMIPRMNJJW-QHCPKHFHSA-N 437.588 4.823 30 10 IJEE N#Cc1ccccc1NC(=O)c1nn(-c2ccccn2)c(-c2ccccc2)c1Br 1859414009 LRYNDVROZCBFSZ-UHFFFAOYSA-N 444.292 4.821 30 10 IJEE CCOc1ccc(CCNC(=S)N/N=C/c2ccc(C(C)(C)C)cc2)cc1OCC 1860497199 WWVPRFPAERJJQC-YZSQISJMSA-N 427.614 4.822 30 10 IJEE N#Cc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 1860908410 DUUZKZIEAXUZDM-UHFFFAOYSA-N 434.293 4.503 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccccc1 1862412379 CPBMSIKQEKIZPL-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1F 1862446287 ONQHYWNJIDZHQZ-HXUWFJFHSA-N 448.897 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1C(=O)O)c1cccc(Cl)c1 1862447097 HVJDYPNVDGUDLR-OAQYLSRUSA-N 447.874 4.817 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(F)cccc1Cl 1862449932 WCUABMLFXWHXLS-GOSISDBHSA-N 438.282 4.747 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 1862470799 WFYFWYARWSRYJB-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 1862497830 UEVYCQIDYDMSLS-IBGZPJMESA-N 426.856 4.606 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 1862536800 HWNAMPAFKJVQDI-ISKFKSNPSA-N 449.547 4.795 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1Cl 1862545678 GKGJRNXYIOZMMZ-JOCHJYFZSA-N 439.939 4.834 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 1862556769 DQCWTUCIQGWRFE-QFIPXVFZSA-N 448.906 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccccc1C(=O)O)c1cccc(O)c1 1862598798 ZPBLKOUUQGHNNV-QFIPXVFZSA-N 447.487 4.559 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1[C@@H]1CCCC[C@H]1C 1862604631 GLNABBZIQYAGIX-WSCWJOSJSA-N 447.531 4.923 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CCCCCC2)ccc1O 1862677180 APRDDKZOCUXUFF-JOCHJYFZSA-N 439.483 4.841 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1c(F)cccc1Cl 1862677253 BSJMVZSBTCPDPM-LJQANCHMSA-N 435.854 4.622 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862679058 UONOQLJSIXZMRU-XMMPIXPASA-N 444.506 4.979 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C)cc2)cc1 1862686718 CXPBTMGWLDJKJN-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C2CC2)cc(Cl)c1O 1862718471 AYSYYUAATVIKKS-OAQYLSRUSA-N 449.890 4.948 30 10 IJEE CSc1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(C)cc3)C2=O)c1 1862900461 OEANUXFKBDWSQB-UHFFFAOYSA-N 425.513 4.985 30 10 IJEE COc1cccc(C(=O)/C=C/C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3ccccc3c2)c1 1866233695 ILLMYHNVMFXCKV-XXFRDUSWSA-N 444.531 4.757 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)c2c(C)c3cc(F)ccc3oc2=O)c1 1866294937 CHNVGHAFURJKJN-UHFFFAOYSA-N 440.430 4.904 30 10 IJEE C[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccccc1C#N)C1CCCC1 1867021162 KWXDABKUHROILN-JPYJTQIMSA-N 435.593 4.741 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(C)C 1868848961 OXUUFBPKEHVMHN-VQTJNVASSA-N 435.406 4.530 30 10 IJEE CCCCCCCCCCNC(=O)c1cn(-c2cc(NC(C)=O)ccc2C)c(=O)cc1O 1870133062 JMTHXXTUUYPPJG-UHFFFAOYSA-N 441.572 4.680 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2cccc(Cl)c2)c(C)c1 1870143671 VZPLFOJZJHJQOV-FMIVXFBMSA-N 434.931 4.599 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(N3CCCCC3)cc2)cc1=O 1871004767 WNVMMBDUVYHZRV-UHFFFAOYSA-N 441.575 4.819 30 10 IJEE CCOc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4OC)ccc3C2=O)cc1 1871368267 CLFXKVSWEASULX-OYKKKHCWSA-N 446.455 4.695 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccco4)c3C)C2=O)c1OC 1871369491 NSEFZQKLVGRAPO-HGKZOJRLSA-N 432.428 4.840 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)c1 1871380437 OCKDFBLEERWPPP-QQVMNHQFSA-N 432.428 4.840 30 10 IJEE Cc1cc(O)c(CN2CCC(CO)CC2)c2c1C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 1871397078 IJJXIPSPDWILER-UCQKPKSFSA-N 435.564 4.819 30 10 IJEE CCc1nnc(NC(=O)[C@H](CC)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)s1 1871426212 WBAWAMVQSJVKTD-LSPINASFSA-N 449.532 4.821 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)C1CC1 1872156887 DARIJIFAGDQSQE-HSZRJFAPSA-N 441.597 4.908 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)cc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872536309 FAKUDRMREDJIAC-CVDCTZTESA-N 428.598 4.842 30 10 IJEE CCCCCCCCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(Cc2ccccn2)C1=O 1873063931 VNRYFUWJWSEDEN-UHFFFAOYSA-N 445.485 4.729 30 10 IJEE C=CCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170896 VVUHCJGIUWFRSX-UHFFFAOYSA-N 445.950 4.803 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc2n1CC(C)C 1873577436 RDZKURYVCKAKOZ-WOJBJXKFSA-N 443.636 4.791 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCCCC)n2Cc1ccccc1 1873585126 QWYDFUKESNAFJY-UHFFFAOYSA-N 431.584 4.968 30 10 IJEE C=CCOc1ccccc1/C=N/n1c(COc2ccccc2OCC)nnc1SCC 1874241040 MAVKGMBNZHEPNE-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1cn(C)c2ccccc12 1874263184 LCMBJTPXFFRNCV-FSJBWODESA-N 425.945 4.996 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccco1 1874399578 TVBLKYWFUJNCLC-MRSJDWDVSA-N 439.585 4.646 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc(F)c1 1874436705 NWBAWPUPIUINTL-ZVHZXABRSA-N 425.533 4.619 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1/N=C/c1cccc2ccccc12 1874452001 YKYIXTRTGDEPHR-PCLIKHOPSA-N 435.597 4.932 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1C(C)(C)C 1874485540 AUQYAWUHMUSSRS-BIKZULFDSA-N 435.597 4.736 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc(Cl)c1 1874497044 RCFUCHXTTRHKSH-OEAKJJBVSA-N 434.009 4.822 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874507490 GDTLRDUJOQYCND-ZMOGYAJESA-N 444.532 4.570 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccccc3C)nnc2C(C)C)c1 1874511985 FYPXFDOIXTZVCO-ZVHZXABRSA-N 437.569 4.722 30 10 IJEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2ccc([N+](=O)[O-])cc2)cc1 1874538342 ZUHZLQVUPQXXAB-OEAKJJBVSA-N 425.514 4.930 30 10 IJEE C[C@@H](NC(=O)COc1ccccc1/C=C/C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1874575402 LTCBYRHDLZVGAJ-IYICPGQYSA-N 430.460 4.747 30 10 IJEE O=C(/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1 1874594342 DYEPBVVGXSDMLL-MDWZMJQESA-N 427.416 4.719 30 10 IJEE COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC(=O)C(F)(F)F)c2)cc1Cl 1874712151 RSIDLANSNURBBG-GQCTYLIASA-N 444.789 4.730 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1OC 1875099175 UEZCEOJTZQVVQZ-UKTHLTGXSA-N 433.416 4.727 30 10 IJEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)cc1[N+](=O)[O-] 1875174299 JYPBXAMTHDSADZ-SOFGYWHQSA-N 433.844 4.867 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cccc(Oc3ccccn3)c2)c1 1891511148 DESKRQYYVMIYQR-UHFFFAOYSA-N 429.520 4.532 30 10 IJEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ncc(Br)cc1C(N)=NO 1914896445 CYMITDAPURABRG-ZDUSSCGKSA-N 431.359 4.768 30 10 IJEE CC1(C)C[C@H](N(Cc2ccccc2)Cc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CO1 1915606474 LQMMZDVSQZDODT-NRFANRHFSA-N 439.380 4.695 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NN)c1cc(Br)sc1Br 1922047903 WUSRXKOHJALUEB-CQSZACIVSA-N 432.181 4.551 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)CN(C(=O)OC(C)(C)C)C[C@H]1C 1926491030 OGLWGICOVVCUAF-WAIKUNEKSA-N 431.533 4.586 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CC[C@H]21 1940541111 IVDKTOJJRDRUKB-STXHMFSFSA-N 447.498 4.858 30 10 IJEE N#Cc1cccc([C@@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)n1 1952312289 PKDADKZMQYTJPA-XMMPIXPASA-N 441.487 4.788 30 10 IJEE N#Cc1cc(F)cc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1963524652 OODTYUDYFUEFOP-UHFFFAOYSA-N 441.462 4.707 30 10 IJEE CC1(C)OB(C2=CCC[C@@H]2NC(=O)c2cscc2OCc2ccccc2)OC1(C)C 2020062069 NLKYIWGTDSBCSQ-IBGZPJMESA-N 425.359 4.777 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]21 2048094214 GUWUEONQQBPOOU-YVHKJVDXSA-N 448.568 4.996 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(C)cc1Br 2060607894 ZHGKLIBVGNSVCY-AWEZNQCLSA-N 429.742 4.656 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2060639161 FHNVDNMBMVRYNO-UHFFFAOYSA-N 434.317 4.527 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)cc1F)n1nc(C(F)(F)F)c(CN)c1Br 2079978856 HZTQQFWYLIQOHJ-LURJTMIESA-N 434.153 4.890 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1OC 2124457791 LSZNMQVURZJUFZ-UHFFFAOYSA-N 425.323 4.579 30 10 IJEE C=CCN(CC[C@@H](NC)c1ccc(OC)c(Br)c1OC)C(=O)OC(C)(C)C 2155516701 MECMNBIWPBXADG-OAHLLOKOSA-N 443.382 4.540 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2ccc(C#N)c(Br)c2F)(C2CC2)C1 2162316889 UACCEAYMGRPZRV-HXUWFJFHSA-N 438.341 4.909 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](CNc2cc(Br)cc(F)c2C#N)(C2CC2)C1 2163687875 JUMBPRNIIDSZFY-HXUWFJFHSA-N 438.341 4.909 30 10 IJEE CC(C)(C)OC(=O)N1C[C@]23CCC[C@]2(C1)CN(c1ccc(Br)cc1C#N)C3 2174814846 MLDPVPWCTWWKAY-NHCUHLMSSA-N 432.362 4.548 30 10 IJEE CC[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CCCN(C(=O)OC(C)(C)C)C1 2181140752 DSACGIQRGFQAHB-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE Cc1cnc(N(C)[C@@H]2C[C@@H]3C[C@H](OCc4ccccc4)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2190478363 LIHCXHPMGJLORM-GRSYGWAWSA-N 448.416 4.509 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(F)(F)F 2229128662 CVKVIWYGLDCZDQ-HUUCEWRRSA-N 437.300 4.591 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2235728571 LRAPESXWDPAFCX-QUCCMNQESA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(OC)nc1)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2263730567 MSPPHUNELNGTKJ-QHCPKHFHSA-N 437.584 4.637 30 10 IJEE CC1(C)OB(C2(C(=O)NC[C@]34CC[C@H]3CCCN4Cc3ccccc3)CCC2)OC1(C)C 2267459845 GRKHWQIHNPNEMA-QFQXNSOFSA-N 438.421 4.564 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1c(F)c(F)c(Br)c(F)c1F 2267836968 DIUDXLFGAJHSNM-AYVTZFPOSA-N 441.263 4.865 30 10 IJEE Cc1cnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2281956143 UMSZOAHJSFCBMF-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2296219901 SNFFIFBDBBELDY-RBUKOAKNSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C 2296221648 KLQGZECHLOMIPX-NSISKUIASA-N 435.406 4.814 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC1=CCN(C(=O)OC(C)(C)C)CC1 2296221913 NDMOINQAXUGQFD-FQEVSTJZSA-N 433.390 4.736 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](O)(C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296288727 KACSMECMERBOJS-KPLVRAHFSA-N 434.374 4.731 30 10 IJEE CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)SC(=Cc2ccc(C)s2)C1=O 2297454337 ROXCYLBOZODTAK-UHFFFAOYSA-N 433.938 4.571 30 10 IJEE COc1cc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc([N+](=O)[O-])c1O 2313541635 RQOPMERKEDMJTE-UHFFFAOYSA-N 440.264 4.507 30 10 IJEE COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1F)C2=O 2322748879 NUACQULGXHNLRI-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OCC)cc2)cc1OC 2323827352 XFXKIVKMZVZVTP-UHFFFAOYSA-N 431.916 4.548 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@H]2CCO)c2c1C(=O)C(=Cc1ccccc1Cl)O2 2324140677 CYBLQUAAMXMVQE-KRWDZBQOSA-N 427.928 4.707 30 10 IJEE CN(C)C1CCN(Cc2c(O)ccc3c2OC(=Cc2ccc(Cl)cc2Cl)C3=O)CC1 2324156475 QBKUEUBYCBDODZ-UHFFFAOYSA-N 447.362 4.841 30 10 IJEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc4c(c3)OCCO4)ccc2OC)c1 2325744727 SZUBHZORZWOMSQ-UHFFFAOYSA-N 446.455 4.590 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)[C@H]1CCCO1 2325752196 FWTLLPUJHQHHOW-HSZRJFAPSA-N 438.520 4.982 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1N=Cc1cccc([N+](=O)[O-])c1 2327020129 HXWBFWGIMHDTIB-UHFFFAOYSA-N 439.541 4.891 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3C)n2N=Cc2ccncc2)cc1 2328571470 IUGMKOPCTZPDGS-UHFFFAOYSA-N 443.576 4.950 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccncc1 2328691646 YVNVADVYXGLLJE-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE O=C(CSc1nnc(-c2ccccc2Cl)n1N=Cc1ccco1)NC1CCCCC1 2329587769 ADHPOFNTSGBQMY-UHFFFAOYSA-N 443.960 4.615 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2)n1N=Cc1cc(Br)ccc1O 2330491722 PDHHTBMCHCDQKP-UHFFFAOYSA-N 443.370 4.887 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccccc1F)c1ccccc1 2331228711 KDQFRTIFUHQTEF-MRXNPFEDSA-N 449.511 4.529 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1N=Cc1ccc(F)cc1 2331320528 ATZGHFHHLBTWHW-UHFFFAOYSA-N 439.560 4.990 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1OC(=O)CCOC 2331478557 KTFUWUXKYOCFSK-UHFFFAOYSA-N 449.459 4.985 30 10 IJEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c([N+](=O)[O-])c2)c1C 2331649372 HXIBEMPPCVCULV-UHFFFAOYSA-N 431.448 4.734 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1ccccc1Cl)Nc1ccccc1F 2331722215 ZMLUYXMWUIKQDT-UHFFFAOYSA-N 429.908 4.561 30 10 IJEE CC[C@@H]1[C@@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339589835 CZUPYPUHHUHLMQ-OEDVWLICSA-N 443.397 4.926 30 10 IJEE N#Cc1cc(Br)cc(Nc2cc(F)c(I)c(F)c2)c1 2341180520 NJVAUPFSGSFFKU-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE C=C([C@H](NCCC)[C@@H](O)c1sc(Cl)cc1I)[Si](C)(C)C 2366648708 UMAQCNWOUNFZTG-QWHCGFSZSA-N 443.854 4.841 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@H](C#N)c1cnn(CC(F)F)c1 2369061079 VTTMTKAFNPMDPZ-OAHLLOKOSA-N 441.276 4.917 30 10 IJEE CCc1ccccc1NC(=S)/N=C(\NCc1ccc(F)cc1)Nc1nc(C)cc(C)n1 14156913 QDXQGVFUBZTFOB-UHFFFAOYSA-N 436.560 4.750 30 10 IJEE CC[C@@H](Sc1ncnc2sc(C)c(-c3ccccc3)c12)C(=O)Nc1c(C#N)cnn1C 16893722 ZJCGCXCCJZWNNK-MRXNPFEDSA-N 448.577 4.781 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)cc1OC 33897233 PKWJGRFACKAJIH-YDZHTSKRSA-N 432.428 4.548 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 35444268 SEQRHLQIWWEZFC-PFQQOQBSSA-N 445.471 4.562 30 10 IJEE C=CCc1ccccc1OCCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 40200884 VJINDWVHXLCPCW-UHFFFAOYSA-N 443.522 4.955 30 10 IJEE CCCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(C(=O)OC)cc2)c1 100282214 YUMZMACCNMTXDQ-UHFFFAOYSA-N 428.554 4.949 30 10 IJEE CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nc(C#N)c(C#N)nc12 101107291 OHZKXGGIIMDQNC-YBTHPKLGSA-N 445.832 4.686 30 10 IJEE CCCCCCCCNC(=O)c1cccnc1SCC(=O)NCCc1ccccc1 102771361 OZAMDGNRDGBHRB-UHFFFAOYSA-N 427.614 4.623 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 103010411 AWSMVTGEEBSWSV-MRXNPFEDSA-N 443.569 4.631 30 10 IJEE Cc1nc(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)sc1C 103624059 GLDMHKONVXLAFW-UHFFFAOYSA-N 436.246 4.597 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 169926920 BFLJKWJHVNBFKK-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(C)cc2)c1 169934899 HVGWXKMEKMWBMQ-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3C)[C@@H]2c2cccnc2)c1 170005562 JBWXNFAOUJDGGL-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2ccncc2)cc1 170019836 GOFYTIUNSNHHFF-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccccc2F)c1 170069376 BEAGZQNKQAJCTN-IBGZPJMESA-N 438.480 4.691 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@@H]1c1ccccc1F 170072212 OXEKNJNRYJOIDA-QHCPKHFHSA-N 425.500 4.538 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC)c(OC)c1 170126356 SZUCBYYTEWXFHW-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140725 JHUVSTVDPBWKJY-HSZRJFAPSA-N 429.447 4.852 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccccn1 170180342 UEFUMXRGYLNOMK-GOSISDBHSA-N 429.314 4.531 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2)ccc1Cl 170222297 MLMMMALENGVWDV-OAQYLSRUSA-N 443.927 4.742 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCCN(C)C)cc1 170267246 NFEWKCMXBOWFCI-VWLOTQADSA-N 442.559 4.932 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)o2)c1 170297861 UMPZWOIOZFHEBQ-IQMFZBJNSA-N 445.471 4.703 30 10 IJEE CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccnc3)sc2c1 170481857 MUMQIALDRBWNRQ-HXUWFJFHSA-N 437.521 4.605 30 10 IJEE N#C[C@H](c1ccccc1I)[C@H]1CCN(C(=O)OCc2ccccc2)C1 309699829 AEPRIMXSGUCRHZ-WMZOPIPTSA-N 446.288 4.557 30 10 IJEE CC1(C)OB(c2csc(CNC(=O)c3ccccc3OCc3ccccc3)c2)OC1(C)C 404917519 QJSNJSZGDHMZSE-UHFFFAOYSA-N 449.381 4.556 30 10 IJEE C#CCN(C[C@H](NCCC)c1c(F)ccc(F)c1Br)C(=O)OC(C)(C)C 407115210 HJZBZUFHUVXFJO-HNNXBMFYSA-N 431.321 4.638 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 460558544 KMYKXNICOPWYLU-UHFFFAOYSA-N 441.535 4.704 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccoc1C 468113232 KGVMWJJAPUKGQN-OAHLLOKOSA-N 434.525 4.542 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 474519673 WFJHIZOZGBNXOG-MRXNPFEDSA-N 435.484 4.666 30 10 IJEE Cc1ccccc1Cn1c(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)nc2ccccc21 504545233 FAVHHGDXVDNYAM-VWLOTQADSA-N 432.524 4.593 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 508803467 XTFLIEKROGEYHU-GOTSBHOMSA-N 447.627 4.625 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 508835417 ZRKAPDUHGVQYFQ-TWVZQSRDSA-N 449.643 4.800 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508917777 KSMOAFIPJHAPKW-HSZRJFAPSA-N 435.616 4.671 30 10 IJEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 508933161 WTYKTGAJKRZQHC-SFHVURJKSA-N 448.502 4.914 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 508961735 OHESWBMUQZWEIA-WFIHMLKPSA-N 442.563 4.735 30 10 IJEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 549263152 CNWZSNROEKYCMT-UHFFFAOYSA-N 430.552 4.938 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 549301769 CINXZUBNVOILRC-NRFANRHFSA-N 449.599 4.567 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](OC(F)F)C1 579540710 OITYHGNNFVWUBX-LBPRGKRZSA-N 447.711 4.755 30 10 IJEE CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc3c(c2)OCO3)cc1 586250829 WXYFMYBYPOTZCH-UHFFFAOYSA-N 448.544 4.980 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)c1c(C)noc1C)c1ccc2c(c1)OCO2 599474577 GMLPFLRZFKGQOY-INIZCTEOSA-N 434.492 4.922 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccc(F)cc2Cl)n(Cc2ccco2)c1C 611396618 CAPXUARXLZJPID-CQSZACIVSA-N 428.895 4.700 30 10 IJEE CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)SC1=Nc1cc(Cl)c(O)c(Cl)c1 725404862 RPVMGMKAQONJQR-OAHLLOKOSA-N 438.336 4.679 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccc(C(F)(F)F)cc1 749770501 GEKREIBFUOPLFQ-LJQANCHMSA-N 429.446 4.793 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)n2)cc1 750691543 NHXONFSOZUFXQD-GAJHUEQPSA-N 441.553 4.642 30 10 IJEE C=CCN(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C)c1nc(C(=O)OCC)cs1 796596670 WRMIDRWJDWVGRQ-UHFFFAOYSA-N 445.541 4.808 30 10 IJEE C#CCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C 799212622 VYUDDDJLDZMKBR-JOCHJYFZSA-N 427.529 4.742 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1c1ccccc1C 809920711 ANDXYBKCXVYEFP-QFIPXVFZSA-N 431.540 4.540 30 10 IJEE C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(OCC)cc2)SC1=Nc1cccc(Cl)c1 1084437748 NXJWSEOLSHJINB-LJQANCHMSA-N 443.956 4.885 30 10 IJEE C#Cc1ccccc1CC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 1125618409 AZAFIXTZPKCRPC-UHFFFAOYSA-N 428.919 4.982 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](C)Cc2ccc(OC)cc2)s1 1127605900 FMTOPQIBAXEDDH-CYBMUJFWSA-N 425.019 4.842 30 10 IJEE Cc1nc(SC2CCCC2)sc1CC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1127887795 GMXRBZUNBZJCRG-UHFFFAOYSA-N 441.557 4.864 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 1128811210 RBUWYMLQARLAJV-JOCHJYFZSA-N 444.988 4.651 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)SCc1nc(O)c2c(C)c(C)sc2n1 1129784111 IOJYUCATHDZKTG-SJLPKXTDSA-N 441.622 4.939 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(OCc2cccc3ccccc23)C1 1136996001 MVHCEKQCKIEEEL-QHCPKHFHSA-N 438.568 4.817 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(OC)c1 1141360246 YXEZELVJQPQTJV-KSFYIVLOSA-N 449.469 4.810 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1 1146951870 XFNJGRJXKBCYBB-DQVLVPHSSA-N 445.604 4.905 30 10 IJEE C=CCO[C@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)C1 1152319410 HLNMFUFFCJMDOX-KBXCAEBGSA-N 443.371 4.705 30 10 IJEE C=C[C@](C)(CC)C(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1160210055 CFLQDOSNXDDJBZ-YADARESESA-N 428.573 4.998 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1OC 1165743487 IQPSFQKOJLVRLG-WEVVVXLNSA-N 447.362 4.929 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccsc2)nc2sc3c(c2c1=O)CCCCC3 1187972339 MOYRIALMIOPESI-QGZVFWFLSA-N 446.619 4.981 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)Cc1ccccc1F 1190486027 TWTONWVINJNUAS-UHFFFAOYSA-N 448.517 4.930 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)NCC3(c4c(F)cccc4F)CCC3)CC2)c(F)c1 1230119536 ACIJCSJELHEKOL-UHFFFAOYSA-N 443.469 4.650 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cccc(Br)c2C1)c1ccc(Br)cc1 1252459663 UZVBEFBGCRXQLL-GOSISDBHSA-N 448.158 4.654 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)CCCC1 1252984493 SEOAVAVIZXWKNF-UHFFFAOYSA-N 425.598 4.895 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnc(OCc3ccccc3)cn2)c1 1264919538 WYKAHMYQLHZOIB-UHFFFAOYSA-N 425.513 4.945 30 10 IJEE C=CCCSCCNC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 1278581803 XMHVSOYGRBQFKY-UHFFFAOYSA-N 448.251 4.865 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC1CC(OCC)C1 1286302479 UCIYAMMCVADALL-UDTLNKQYSA-N 438.616 4.818 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286336752 OLKJCEVMZSCELB-DEOSSOPVSA-N 449.643 4.590 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CC1CCN(CCC(C)C)CC1 1286379921 FLCOCOSSPJJXHL-UHFFFAOYSA-N 439.673 4.706 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(CCOC)CC2)CC1 1286655138 HJTNTAPGLKMAQY-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1286665167 UZPHUDYUYDMSCT-VWLOTQADSA-N 435.660 4.976 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C)(COC)CC1 1286672980 MNYGZDZLGNMCBM-UHFFFAOYSA-N 426.605 4.733 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)Sc2ccccc2)C1 1286809485 SUAJQFLTGCNZOH-PMACEKPBSA-N 435.597 4.611 30 10 IJEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1286830851 VZIASADKPSPONA-MOPGFXCFSA-N 430.593 4.646 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286970622 CTMXNJWTXKDGGE-BFYDXBDKSA-N 439.457 4.886 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(F)c1 1288513129 BYGLHXNCBOPRID-ZDUSSCGKSA-N 448.365 4.889 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2Cc2ncccc2C)c1 1289458796 FEFBIBGVNZRBOY-HXUWFJFHSA-N 432.572 4.779 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCC)Cc3c(F)cccc3Cl)n[nH]2)c1C 1290723021 MKRZDYBRRQZZBX-UHFFFAOYSA-N 429.927 4.921 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 1293296867 GXNBLFBZSREVNJ-OAHLLOKOSA-N 436.965 4.796 30 10 IJEE C=CCSc1ccccc1C(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 1298041955 VCLMPKBOXMDYPW-KRWDZBQOSA-N 434.399 4.617 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H](F)c1ccc(Br)cc1 1300299232 MJRYKMBKGBPMDT-QAPCUYQASA-N 442.336 4.580 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CCCCC2)CC1 1300347453 ABMCOBXVUZZRRU-UHFFFAOYSA-N 443.998 4.996 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1300363641 FUMAMFYVWIKJSI-DEOSSOPVSA-N 429.008 4.508 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)CC=C 1300563350 HLQLYXIFFBKSBT-UHFFFAOYSA-N 431.403 4.834 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H](CC=C)c1ccccc1 1300808418 UZKJKCCAYBIXPN-SQJMNOBHSA-N 431.609 4.986 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1300872071 FBPXYLOFNHYSSF-APTRMMRNSA-N 437.632 4.716 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC(C)(C)C1 1300894877 IYSJCKRNXFKSJL-ZGXWSNOMSA-N 448.677 4.510 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N(C)Cc1csc(Br)c1 1300972686 OSPYEKBTOBRNFW-CQSZACIVSA-N 427.412 4.845 30 10 IJEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 1300989911 HGQGDJKYQKSKHK-QHCPKHFHSA-N 447.023 4.673 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](SC)C(C)(C)C)CC1 1301095750 NVGVABWLLUJPCJ-HXUWFJFHSA-N 430.618 4.800 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccsc2)N(C)C)CC1 1301097251 SZKVBMZNTMHTIZ-NJDAHSKKSA-N 443.661 4.718 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nnc(CC)s2)CC1 1301135772 RNBCRMCMPCRHNV-UHFFFAOYSA-N 440.642 4.743 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)OCC)CC1 1301139637 RXZIIRVAPNLEBH-OAQYLSRUSA-N 439.604 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 1301146176 VAVRVHWCIUOLIR-UHFFFAOYSA-N 449.599 4.942 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1301148308 NNXFUHQJWLAFSE-XZOQPEGZSA-N 437.632 4.833 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 1301151067 IMBBTKOMZIGBNR-YLJYHZDGSA-N 448.970 4.755 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1301159097 VEPLHGIGYKPUFV-QGZVFWFLSA-N 431.993 4.555 30 10 IJEE C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301211976 QKGSXPCAFOYVLC-BEFAXECRSA-N 431.462 4.616 30 10 IJEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccccc1C(F)(F)F 1301236771 JSJBZHOUOYUXGY-HKUYNNGSSA-N 438.494 4.624 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1301260336 XJTGBVIKNMXSEU-SVMVAKDDSA-N 430.543 4.755 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(CC)s1)C1CC1 1301316819 NVLIGJOVTMYFLL-UHFFFAOYSA-N 446.418 4.873 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1CCC[C@@H](C)C1 1301403917 MSYNVRHKXKVLMN-HXUWFJFHSA-N 425.596 4.697 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1301620288 DQEZJNXOIIUUBM-UGKGYDQZSA-N 442.629 4.944 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@](C)(OC)CC1 1301622451 GHXQWANBLQFJSO-PWHSHALESA-N 436.666 4.511 30 10 IJEE CS[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1302582997 IDPSZHGTGIDOGA-WMZHIEFXSA-N 438.576 4.713 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCC(C)CC1 1302719045 FSJAUFGPRYOUBU-VQTJNVASSA-N 440.661 4.515 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 1306798764 BRWOCNXJVHMNER-WMLDXEAASA-N 426.542 4.704 30 10 IJEE C=CCN(Cc1cccc(SC(=O)N(C)C)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1307684231 KYZSIJFGONJFEQ-QFIPXVFZSA-N 426.582 4.623 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1309418642 PWDOFTVMXZRZLQ-UHFFFAOYSA-N 430.751 4.801 30 10 IJEE N#Cc1cccc(C2(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 1309487412 IEQKAUKIDHVWMU-UHFFFAOYSA-N 434.361 4.563 30 10 IJEE C#CCCN(CCOC)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 1310283465 DGEBVIHNFDKDDR-UHFFFAOYSA-N 429.439 4.556 30 10 IJEE C#CCN(C(=O)Nc1cnn([C@H](C)CC)c1C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1310500605 PVQLVECQRRMISR-QGZVFWFLSA-N 443.592 4.598 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCCC1(C)C 1311575051 DJDBARDLUHYCMQ-GHTZIAJQSA-N 435.634 4.554 30 10 IJEE C=CC[C@H](NC(=O)NCc1ccc(Br)c(Br)c1)c1ccncc1 1312019429 IPRPGRBEOAOXJH-INIZCTEOSA-N 439.151 4.723 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)C#N)C(C)C 1314056599 AXTKXBDURIWAIP-QFBILLFUSA-N 448.409 4.755 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(F)cccc1I 1350407307 JATVQBBEECLTDG-UHFFFAOYSA-N 435.689 4.974 30 10 IJEE C#CC[C@]1(C(=O)Nc2nc3c(s2)C[C@H](CCC)CC3)CCCN1C(=O)OC(C)(C)C 1352374085 QPIXTNSRHIFRRX-WAIKUNEKSA-N 431.602 4.780 30 10 IJEE C#CCNC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 1358443251 KOEXNRNDAPQZQL-UHFFFAOYSA-N 448.935 4.664 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)c1ccsc1 1358878151 RQWFIHAVHSPULU-PBPSECFOSA-N 440.638 4.559 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCN(CCC)CC1 1358907219 HYGBODOSZOENMO-UHFFFAOYSA-N 431.987 4.852 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(F)(F)F)CC1 1358927915 NFRZBYNYXXVXSB-UHFFFAOYSA-N 429.446 4.792 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359119909 VFQHRJZXNHEPPN-SFHVURJKSA-N 432.515 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1359161110 PVPMJTSIVZNWEP-AZUAARDMSA-N 430.499 4.684 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359192040 ULCGIVVEIPAESM-LJQANCHMSA-N 449.640 4.500 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1359201886 CJEDBDBACWIHSJ-UHFFFAOYSA-N 439.579 4.960 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1359643624 HQZPMYLEIMNARJ-UHFFFAOYSA-N 439.629 4.601 30 10 IJEE C=CCN(C(=O)c1cc(I)cc(Br)c1C)C(C)(C)C 1437810227 RWFZQUBAIAZQCZ-UHFFFAOYSA-N 436.131 4.789 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCc1ccc(Br)cc1 1443592324 OPKXSPBJDVNXJD-GOSISDBHSA-N 439.394 4.700 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccccc1OC 1443758142 DJXXCKWJRNJQHO-CTNGQTDRSA-N 444.959 4.937 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)n2C)c1 1443939250 AGUDZNQIRKQCKN-NRFANRHFSA-N 437.540 4.752 30 10 IJEE C=C(CC)CNC(=O)c1ccnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 1451435836 DNFBREGKUWKPOK-UHFFFAOYSA-N 441.531 4.816 30 10 IJEE COc1ccc(C[C@H]2CCCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)cc1 1460132853 CNBIYRQRWCITBL-LJQANCHMSA-N 437.609 4.790 30 10 IJEE C#CCOc1ccc(CNC(=O)C2(c3ccccc3Br)CCCCC2)cc1 1460186230 DOKDSJOGGQQGTM-UHFFFAOYSA-N 426.354 4.979 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(CC)cc2)c2c1CCC2)c1ccc(Br)cc1 1460785289 LVZYPFDLYPAILM-OAQYLSRUSA-N 448.364 4.790 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC[C@@]2(C)Cc2cccc(Br)c2)cc1 1460803943 LTQYFWNIEXKDMC-QHCPKHFHSA-N 425.370 4.856 30 10 IJEE N#CC1(CC(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CCCCC1 1464160788 CMPMMSHBAICOQJ-UHFFFAOYSA-N 433.480 4.568 30 10 IJEE C=CC[C@@H](C)NCc1ccc(OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OCC)c1 1474005686 DUUTWZZTVNGERJ-KCPMXOJXSA-N 428.617 4.946 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 1474770918 SSJVRKWZECEQPP-UHFFFAOYSA-N 435.354 4.610 30 10 IJEE C#CC[C@H](NC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1478244912 ASRWNEAYEIMQAU-IHRRRGAJSA-N 440.334 4.563 30 10 IJEE CS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(F)(F)F)C1 1505206430 GYSXSQYTPOPMMC-MRXNPFEDSA-N 441.548 4.792 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCc1ccsc1 1507522906 YYPPTPBDXMVDHT-CYBMUJFWSA-N 433.350 4.609 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCc1nc2c(s1)CCCC2 1507602432 OEMLKMWBLSIXLX-LJQANCHMSA-N 449.624 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(C)C 1507664167 OHUGAAZMKWIRFN-UHFFFAOYSA-N 427.390 4.915 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)C(C)C 1507679922 TYFAUXUJDUXZRG-WZONZLPQSA-N 432.996 4.555 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCS1 1507764137 KPTPXHWDODVBRY-MGPUTAFESA-N 449.393 4.734 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCCCc1ccccc1 1507796529 BCFAZTYXJBKZSL-DNQXCXABSA-N 431.584 4.780 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1507802674 CMYVPLLVOYWRBX-GHTZIAJQSA-N 428.602 4.544 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(CC)CC1 1507809061 SEKDJLBZJKWHAC-RDGATRHJSA-N 438.616 4.680 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1C1CCC1 1507837170 JUCAVBKDILNGCK-PGRDOPGGSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C[C@@H]1CCOC1)C1CC1 1507917488 PUIFDFSPFNIUHH-KRWDZBQOSA-N 430.543 4.755 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(c2cnn(C)c2)CC1 1507944757 XUHPHYNYYPZEFQ-UHFFFAOYSA-N 428.943 4.821 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1CCN1CCC[C@@H]1C 1507995915 DYJSPMLXRWMBJA-FQEVSTJZSA-N 425.621 4.552 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1C[C@H]1CSCCS1 1507999195 MCPZDHKHPOYPFT-NRFANRHFSA-N 439.654 4.849 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1508049902 MHVXVFURYDULRK-GOSISDBHSA-N 442.361 4.582 30 10 IJEE C=CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@](C)(OC)CC1 1508155950 UEEJUIBCOJIRKX-QHCPKHFHSA-N 425.602 4.741 30 10 IJEE C=CC1(CC(=O)N[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)CCCCC1 1523844728 XJHWPRSIMOAELV-XMMPIXPASA-N 441.593 4.831 30 10 IJEE C=CC(C)(C)CNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC 1525859525 OAJWRAGWQDMFNX-URXFXBBRSA-N 436.552 4.517 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 1527806997 IMMJGYCFVOTEAJ-ZBFHGGJFSA-N 438.259 4.993 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 1527807104 KCIGHHRRJTUKBQ-LSDHHAIUSA-N 440.353 4.861 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(OC)c(Cl)c(OC)c2)nnc1-c1ccco1 1528006042 HSFCZZCSJPIPKG-UHFFFAOYSA-N 448.932 4.516 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 1531923295 OWARKPYPRBGWMG-VQIMIIECSA-N 433.474 4.942 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@]2(C)CC2(C)C)c1 1533093607 HSHZBZIPJOHIMZ-QFIPXVFZSA-N 432.973 4.640 30 10 IJEE COc1cc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)cc(OC)c1OC 1534340536 HJYRVOPTQDNUMH-MRXNPFEDSA-N 442.581 4.978 30 10 IJEE C=CCc1ccc(OCC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)c(OC)c1 1535044178 MDPFCGQCWMSVDV-UHFFFAOYSA-N 437.536 4.550 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCc1nc(C)cs1 1538976692 OOTQFIZYWWCDPB-FQEVSTJZSA-N 433.625 4.994 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCC2(CCCCC2)O1 1539032098 SSPGJRCVGCFJBF-IFMALSPDSA-N 436.600 4.759 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nc(C)c(C)s1 1539662239 QNRGVSFVPDRUAN-UHFFFAOYSA-N 433.585 4.655 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(OC)C2CC2)CC1 1539839692 BLCCPLSQAOALAI-VWLOTQADSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@H]2CC=CCO2)CC1 1539874996 SLRJCLSQPRGMLK-XXBNENTESA-N 438.572 4.564 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2Cc2csc([C@H](C)OC)n2)CC1 1539891406 BCNLYGZAZAWHHP-SFHVURJKSA-N 437.613 4.792 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCCN2CCC)CC1 1539892148 SPCBCQCVTBFZFA-FQEVSTJZSA-N 443.586 4.814 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1coc(-c2cccs2)n1 1540078038 XDGGXTQIIHNQGG-UHFFFAOYSA-N 427.480 4.534 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCO[C@H]1C(C)C 1540133842 OTZRYSDTQWQOIU-NOZRDPDXSA-N 431.584 4.518 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCCC1 1540148237 SGOUMUGJKYVDQG-UHFFFAOYSA-N 442.560 4.555 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(Br)c(O)c(Br)c1 1540631909 VGYMMSWOUHPOAD-UHFFFAOYSA-N 425.120 4.746 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2Cc2cc(F)ccc2SC)C1 1540894970 IGUOUXQZPFBRLC-FQEVSTJZSA-N 430.593 4.701 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)CC[C@@H]1C 1540910018 VETYLIIIVNYXFP-CABCVRRESA-N 438.439 4.590 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)C[C@@H](C)C#N)n3Cc3cccc(N(C)C)c3)cc2C1 1541106975 DHLUJJZQWVGLEF-ROUUACIJSA-N 448.640 4.842 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)s2)C[C@H](C)S1 1544746566 ASFIENQXFVBSIC-KBPBESRZSA-N 430.002 4.910 30 10 IJEE CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc(C#N)c2)n1CCN(CC)CCC(F)(F)F 1546615050 CPIMBGVFOFWLAJ-XLIONFOSSA-N 448.537 4.716 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 1556214282 HYJLZJWKFFCCJI-DNQXCXABSA-N 447.604 4.895 30 10 IJEE C#C[C@H](NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2)c1ccc(F)cc1 1556730120 GCPZIMYLRDSKIY-IBGZPJMESA-N 433.508 4.518 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]2COc2ccc(F)cc2)c1 1558591344 DKUYELNAZKCIEL-QHCPKHFHSA-N 430.479 4.960 30 10 IJEE C=CC[C@H]1CCN1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 1558704399 RIOJVBAWPNFMSH-IBGZPJMESA-N 434.565 4.520 30 10 IJEE C#C[C@@H](Nc1ncnc2cc(I)sc12)c1ccc(Cl)cc1F 1559187810 DLHUZQWWCOZYKO-LLVKDONJSA-N 443.672 4.875 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](CC)N1CCCC1 1587567229 DGSNINFJFAWLIK-OFNKIYASSA-N 444.627 4.685 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1587705470 DXZAREZCSGTDGN-PMACEKPBSA-N 440.588 4.624 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2sc3c(c2Br)CN(C(=O)OC(C)(C)C)C3)C1 1587996898 AFIARAVSUGSNPW-GFCCVEGCSA-N 441.391 4.800 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1)c1ccccc1 1593788604 AXZOIZAELOCOKG-UHFFFAOYSA-N 449.643 4.665 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccnc2OCCCC)CC1 1594071007 VQCACNVYPPQFKS-UHFFFAOYSA-N 433.556 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(C)(C)OC(C)(C)C1 1594473276 OVZONWWBBHTXJJ-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC(C)(C)C 1594728030 WHRLLUQUOJYHQL-LJQANCHMSA-N 449.640 4.610 30 10 IJEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCSC(CC)(CC)C1 1594733564 VCYLOBOZVYOJCC-HXUWFJFHSA-N 428.602 4.869 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(F)F)C1 1594775641 VFXIBZYMKDZVAZ-SJORKVTESA-N 439.551 4.798 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1cc(C)nn1C 1595161676 HWKWDLUHRBMATO-UHFFFAOYSA-N 432.597 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[S@@](=O)C(C)(C)C 1595190639 DWTHVDTUZOTVOA-SSEXGKCCSA-N 428.646 4.968 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C2CCCC2)CC1 1595442419 JCNDHDGYVMHCSM-UHFFFAOYSA-N 437.632 4.795 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 1597538942 PCATWCIIVSLPHA-NRFANRHFSA-N 430.589 4.923 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(-c2c(C)nn([C@H](C)CC)c2C)[nH]n1)c1ccccc1 1603511053 RGIHXQDVCGGOET-DHMKHTPVSA-N 425.558 4.714 30 10 IJEE Cc1nc(C)c(CCn2c(C(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)s1 1612378718 BBJYWWJPXLOEOY-UHFFFAOYSA-N 432.597 4.883 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H]1CCN(c2c(F)cccc2F)C1=O 1615387878 RFLJIGCDYDPVLG-GOSISDBHSA-N 439.275 4.660 30 10 IJEE C#CCOc1ccccc1CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1617657957 YPMJXOKAIUKWGJ-QFIPXVFZSA-N 436.552 4.607 30 10 IJEE CO[C@H](Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C 1618973764 FANLHLBMGFHAJL-RDGATRHJSA-N 432.572 4.603 30 10 IJEE C=CCCCS(=O)(=O)N[C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 1621965171 RJFYRRIRAADQHG-IBGZPJMESA-N 431.451 4.850 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 1624488602 CGEAMTCPDNHUJV-RUZDIDTESA-N 425.488 4.718 30 10 IJEE C=CCn1c(SCC(=O)N(OC)C2CCCC2)nnc1-c1ccc(Cl)cc1Cl 1624931983 QXBVOIRGEAWVQG-UHFFFAOYSA-N 441.384 4.863 30 10 IJEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O 1626689092 ICQCKRSHVRPVLN-GOSISDBHSA-N 437.908 4.648 30 10 IJEE C=CC1(CC(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1627521282 PHVAKLWETDWLFZ-UHFFFAOYSA-N 444.616 4.928 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CC=CC1 1629495966 JBSUPDYPJNWGNN-VWLOTQADSA-N 430.548 4.942 30 10 IJEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H](F)CC1CCCCC1 1629967517 FSBDFNIBAVZQHL-RDJZCZTQSA-N 429.376 4.880 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(C(F)F)c(F)c2)nc1C 1632842668 SQGNYVPGHNRWFU-UHFFFAOYSA-N 425.461 4.514 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C)c1ccc(Cl)cc1F 1636313309 WRZFBXBPAGKEJZ-UXHICEINSA-N 430.907 4.844 30 10 IJEE C=CCCC1(CNC(=O)N2CCC(C(=O)OCC)(C(=O)c3ccccc3)CC2)CCCC1 1636902495 WDUXBHHLPPEZCA-UHFFFAOYSA-N 440.584 4.751 30 10 IJEE C=CCC[C@@H]1CCCN1c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 1643270873 QYKJKHAQOAYVEH-GOSISDBHSA-N 429.542 4.947 30 10 IJEE C=CCCOCCCCC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 1643424335 CKSJSIGGOXKFTR-QFIPXVFZSA-N 434.621 4.778 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)c1ccc(F)c(F)c1 1645343902 HCQTUFIKCXGPCS-ASSNKEHSSA-N 448.535 4.783 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC)[C@H](C)C#N 1646525632 UIHQAXWMOKGHSN-KOSHJBKYSA-N 431.536 4.620 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cc1OC 1647743107 LYNNWKUUESENEQ-RRCIDTRNSA-N 429.944 4.801 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCN(CCC)C(=O)OC(C)(C)C 1649541547 FTRPQEXIBTZIGK-UHFFFAOYSA-N 442.608 4.698 30 10 IJEE C#C[C@@H](Nc1ncnc(CC(C)C)c1I)c1ccc(Cl)cc1 1651123531 KIQOPJLXCACZKH-CQSZACIVSA-N 425.701 4.720 30 10 IJEE C=CCn1c(SC[C@H](C)NC(=O)OC(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 1652349279 TVRQAXDLCGTBRS-KBPBESRZSA-N 449.642 4.774 30 10 IJEE CC[C@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CN3CCOC[C@@H]3C#N)sc2c1 1652713911 FVFCFRVGAVPOKJ-RXVVDRJESA-N 448.592 4.567 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(C(=O)N(CC=C)CC=C)cc1 1657496260 JDAROOYUNCSLBQ-UHFFFAOYSA-N 439.353 4.887 30 10 IJEE C=C(C)COc1cc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1OC 1657958508 BMUIXLHLYREKQK-UHFFFAOYSA-N 444.597 4.827 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(C)C 1665700050 AEEOIBKCMFSSKW-WIYYLYMNSA-N 439.431 4.570 30 10 IJEE N#CCC1(CS(=O)(=O)N(Cc2cccs2)c2ccc(Br)cc2)CC1 1666526592 DQDVAQXIPREIRM-UHFFFAOYSA-N 425.373 4.541 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 1667957378 KJRNHKAFDQNHTQ-KRWDZBQOSA-N 426.365 4.954 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)C(C)C 1668684592 PWJSYAQAOCUIAI-OAQYLSRUSA-N 437.053 4.713 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(Br)ccc1-n1cccn1 1669023458 OKXWDJPQJUXUJQ-SFHVURJKSA-N 425.330 4.944 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)[C@H]1CCCO1 1669350766 RUSKXZVYBGTRIM-IEBWSBKVSA-N 433.277 4.683 30 10 IJEE N#CCC[C@H](NC(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)c1ccccc1 1672158647 GQKVJMUQXGRYOH-DEOSSOPVSA-N 438.531 4.985 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C 1672210568 XXOCOFICRWTBCK-GOSISDBHSA-N 436.325 4.577 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 1673579526 NRNCDJIGARAKAD-FQEVSTJZSA-N 439.560 4.894 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CC)Cc2ccc(Br)cc2)cc1 1673643093 BPLWHARMHZNWPU-SFHVURJKSA-N 430.346 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 1680127102 NZOXZBCFKKMCGU-UIFIKXQLSA-N 447.348 4.958 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1ccc(F)c(F)c1 1680284680 RZWSKKSVOUNSCT-XFWGSAIBSA-N 433.296 4.982 30 10 IJEE C#CCN(C(=O)NCCCSCC(C)C)[C@H]1CCOc2ccc(Br)cc21 1680675060 HIDGUSLKTWCDGQ-SFHVURJKSA-N 439.419 4.697 30 10 IJEE C#CC[C@H](NC(=O)NCCSCCOc1cccc(Br)c1)c1ccccc1 1684574276 OXPMPESOCZNSMQ-FQEVSTJZSA-N 447.398 4.625 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1 1686549337 COEPZAXDJGEUIN-JOCHJYFZSA-N 435.524 4.532 30 10 IJEE C=C1CCC(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(OC)cc2)CC1 1687543727 DOMDXSACZIWAJO-QFIPXVFZSA-N 443.588 4.745 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCCc1nc2c(s1)CCCC2 1689863500 VJXBZVGVBUIXOV-LJQANCHMSA-N 449.624 4.592 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1689898181 WEMUITWXCOPIEQ-UHFFFAOYSA-N 449.624 4.830 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1689920643 FSGZHYLYOVAEAN-PKTZIBPZSA-N 436.600 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cnccc1OC 1690258636 NSUNYONJGHFOTR-QGZVFWFLSA-N 437.613 4.986 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](OC)C(F)(F)F)CC1 1690406644 NGELFKGZIQNSSK-KRWDZBQOSA-N 428.886 4.968 30 10 IJEE C=CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H]1C)c1ccccc1 1690447528 QZZFRJHVTYIVBD-QKNQBKEWSA-N 449.624 4.864 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1690508096 AXBWNHXQAWQMAU-GOSISDBHSA-N 432.996 4.771 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1cccnc1OCC(F)(F)F 1690518802 VWACPMCBVGZRRJ-UHFFFAOYSA-N 443.429 4.698 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[C@H]1CCO[C@H](C)C1 1690533670 RITAQOZZKNDWGP-CVEARBPZSA-N 439.387 4.991 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccnc(SC)c1 1690576161 PJOXEVSEGYLPOK-UHFFFAOYSA-N 434.594 4.759 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@H]1CCO[C@@H]1C(C)C 1690580023 XVOZMUPRCKCQFV-NFBKMPQASA-N 437.613 4.579 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690636185 LCJNNMYISLBGMK-OAQYLSRUSA-N 449.393 4.544 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1690738335 JYATXPRLRFPWRR-PMACEKPBSA-N 442.629 4.516 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC#N)CC1)OC 1693974151 HNGIZLYOXRLAAJ-FDDCHVKYSA-N 434.588 4.541 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1705512652 JYJJWHWSRIQCOX-CVEARBPZSA-N 431.378 4.754 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)CC[C@@H]1C 1705696745 QBHQRPRGEYYBPC-KSPVPNAGSA-N 440.588 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705749002 HPCXALLNIRCBOJ-IIBYNOLFSA-N 442.947 4.731 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2CCC(OC)CC2)CC1 1705777360 GLXMIABGRHMSPV-UHFFFAOYSA-N 439.560 4.851 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cccc(F)c2)CC1 1705783561 LNTWWFPTXABUHV-UHFFFAOYSA-N 425.577 4.808 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1CC(OC(C)(C)C)C1)C1CC1 1705850081 GJJYEFMLZVSIEJ-UHFFFAOYSA-N 439.560 4.992 30 10 IJEE C=CCn1c(-c2ccccc2F)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 1705888988 XAFMCOIBGYOKOH-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC1(C)C 1706462170 BBAXFAFNZMPVGQ-HNNXBMFYSA-N 433.398 4.848 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@H](c1ccco1)N(CC)CC 1722274830 ALYVUTKORWLGJG-JTHBVZDNSA-N 445.611 4.882 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722403513 UVEDJKZFIYCPIK-HKUYNNGSSA-N 447.505 4.900 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1ccc(OC(C)(C)C)nc1 1722417690 PRPMHGVIMLLMHE-UHFFFAOYSA-N 435.547 4.801 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC[C@H]1C[C@H](F)C1 1722470706 LQQFYCQXJMQRMP-WHSLLNHNSA-N 431.353 4.838 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccccc1)N1CCCC1 1722514259 AKGXGDODMGDQMS-DEOSSOPVSA-N 430.600 4.503 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC1CC(F)C1 1722547894 VQOXOLKFMNIWAX-UHFFFAOYSA-N 443.748 4.653 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCC[C@@H]2CC)CC1 1722567836 MUUCZTLWIIGSCS-IBGZPJMESA-N 429.559 4.568 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccccc2C)C1 1722629405 QGYVUYCGZHSVBY-FQEVSTJZSA-N 437.613 4.529 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@H](C)N(C)c1ccccc1 1722662011 BRWNFQCIJWTIQK-IBGZPJMESA-N 445.596 4.514 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCc1ccc(Br)s1 1722670861 BAYQGYCRZMAYPJ-MRXNPFEDSA-N 437.407 4.765 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1CC[C@@H]1CCOC1 1722675100 JIHKQMCLOUIKEH-GOSISDBHSA-N 426.948 4.853 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1722740113 KLXSBVHUZSQCOC-UHFFFAOYSA-N 449.665 4.548 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccc(C(F)F)n1)C1CC1 1723384654 CMOQPESPYGCKRP-UHFFFAOYSA-N 437.498 4.608 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCSC2)C1 1740595824 KUUSSUJBEZVRKK-VWLOTQADSA-N 438.641 4.901 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1coc(-c2cccs2)n1 1740651181 BBKLVPJXGFCELE-UHFFFAOYSA-N 447.951 4.826 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(C)cccc2C1 1740799474 MXIRQFPVIQVYHT-DHIUTWEWSA-N 438.616 4.661 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN(C(C)C)C(C)C)CC1 1740828324 YYSJAPCFEZCYJP-UHFFFAOYSA-N 425.621 4.749 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1740841826 BZSDRSQBBLXAFM-DENIHFKCSA-N 442.579 4.994 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740844914 YCFUPBFGFGYMCR-NRFANRHFSA-N 434.588 4.902 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1740913461 NAJSBAFRSIZTOF-LJQANCHMSA-N 444.023 4.786 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc3ccccc3o2)n1CC[S@](=O)CC 1740922950 XJUNINCOJZFEQK-SSEXGKCCSA-N 440.594 4.714 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1oc2ccccc2c1C 1740939256 SYMPKSDRKIVIOD-UHFFFAOYSA-N 437.931 4.735 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2[C@@H]2C[C@H]2C(C)C)C1 1740974416 LYXYRMJEJLNLQM-JTDSTZFVSA-N 449.368 4.845 30 10 IJEE CO[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1)C(C)(C)C 1748432143 AMFLBWFKTNHTFZ-OFVILXPXSA-N 448.571 4.791 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(OC)CCCC1 1748647489 NXIAXJZYPXLLRG-QGZVFWFLSA-N 435.597 4.794 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1748740206 OPVYNWLGOLWWIF-HXUWFJFHSA-N 435.597 4.690 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCO[C@@H]1C(=C)C 1749060563 UTEUZBSHBUBJAL-XVWGUNQUSA-N 440.975 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1Cc1cccc(OCC(C)C)c1 1749064697 GUWVVHGDSVAKBY-AREMUKBSSA-N 429.568 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1(N(C)C)CCC1 1749078841 RBPSFEVKBBALSO-AREMUKBSSA-N 449.643 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCC(F)(F)F 1749133451 LXUVLXQUZWIHAD-KUHUBIRLSA-N 444.448 4.517 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1ccccc1 1749133729 PKRFJOOVJBMBKF-OFNKIYASSA-N 437.613 4.642 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749370539 KBLFROFITSQSLF-OAQYLSRUSA-N 435.572 4.947 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1749393405 UBQXCRVHHFHOGS-UHFFFAOYSA-N 439.947 4.510 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOc1ccc(C)cc1 1749416199 WBWACCKEKVJHPY-UHFFFAOYSA-N 444.377 4.826 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1cc(F)ccc1F 1749552647 IDLASANFQRRAIW-UHFFFAOYSA-N 437.519 4.845 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccc(OC)cc1OC 1749613830 JIZKIESDEYAPPJ-INIZCTEOSA-N 438.597 4.971 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[C@@H](n3cc(C)cn3)C2)cc1 1749683318 PNJYATOIJUTRPE-IFMALSPDSA-N 434.588 4.751 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](COCC)C2)cc1 1749684157 RORZNJBYCDAMQS-QFIPXVFZSA-N 447.583 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC1CCN(Cc2cccs2)CC1 1760105553 FPPZIVVNHZNATI-FQEVSTJZSA-N 447.652 4.939 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1760133619 KDZIQNRRRDNJOD-IBGZPJMESA-N 444.526 4.637 30 10 IJEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCC([C@H]2CC2(F)F)CC1 1760142714 KODJNTNXEWEXGW-LJQANCHMSA-N 444.526 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C)[C@H](OC)C1 1760319966 VPZMXZBHPHOMAA-HDIOYNLWSA-N 448.970 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(=O)N(C)C)CCCC1 1760338225 GLORLBQNILFKMD-UHFFFAOYSA-N 444.023 4.573 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1760343910 FAKKGJWVVIGWNP-WCRBZPEASA-N 437.588 4.888 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2OCCC2(C)C)CC1 1760384606 AEHLRGZIPCJLPB-QFIPXVFZSA-N 440.588 4.714 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760421627 VRVCBRXFEZDMJM-OAQYLSRUSA-N 439.604 4.755 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1760434823 NUSPXCGOOOFFKE-QGZVFWFLSA-N 447.986 4.837 30 10 IJEE C=CCCCn1c(COc2cccc(C)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1760442826 VFAMZVHDSNZBRL-UHFFFAOYSA-N 448.493 4.520 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCn2ccnc2C1 1760478691 PCIZJKOVCDJTQN-NRFANRHFSA-N 448.615 4.527 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1CCc1csc(C)n1 1760479362 MORCVECMTPARPP-UHFFFAOYSA-N 444.564 4.918 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CC1(OC)CCC(C)CC1 1760485276 XYPDKWMVTPXOFE-FMQWRWPZSA-N 442.579 4.709 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CC1(SC)CCOCC1 1760498638 ZATVKYNYYKSZIX-UHFFFAOYSA-N 442.585 4.587 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N(C)Cc2nc(C(F)(F)F)cs2)cc1 1760531328 LSAOXEHJFPBJGC-UHFFFAOYSA-N 437.491 4.565 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC(C)(F)F 1761357567 FQXKJGCACMOYPH-LLVKDONJSA-N 430.272 4.630 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@@H]1CCCCO1 1761359784 AAGXYDYFTNDYIT-ICSRJNTNSA-N 434.544 4.688 30 10 IJEE C[C@H]1CCC[C@](Cn2c(CC3CCCC3)nnc2N(CCC#N)CC2CC2)(N(C)C)C1 1762818729 GWWNPGFVSNYFPI-CPJSRVTESA-N 426.653 4.651 30 10 IJEE CCOCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1766201802 AXONPHYPJYYSNS-RUZDIDTESA-N 439.604 4.667 30 10 IJEE COc1cc(/C=C2\SC(=NN=Cc3ccccc3C)N(Cc3ccco3)C2=O)ccc1O 1772756888 GBIWMSSXTFTBTP-GMYAVPHDSA-N 447.516 4.809 30 10 IJEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 1860724752 QSOHGNGAMSIZRN-NTEUORMPSA-N 447.487 4.512 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)CCc1ccc(OC)c(OC)c1 1861088818 CHZYISGVQZGZHA-JOCHJYFZSA-N 446.632 4.884 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)c1c(F)cccc1Cl 1862305253 ZUQRSIZPBUDDKZ-FQEVSTJZSA-N 446.975 4.712 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(F)cc2F)cc1C 1862403575 ZQEZUXWPMXIKFJ-OAQYLSRUSA-N 429.463 4.906 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1cccc(Cl)c1)c1ccccc1Cl 1862432467 FNBYIFKVZBEQHU-LJQANCHMSA-N 442.302 4.538 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1Cl)c1cccc(Cl)c1 1862446222 NEWJAISNKLBTGA-BEFAXECRSA-N 432.303 4.751 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(F)c1 1862525055 TWSTYBUBTOFMGT-KZULUSFZSA-N 432.289 4.965 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1862669379 UVRFCQMMQLZCNS-VBKZILBWSA-N 447.453 4.788 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1F 1862715968 VKCXYWYQBZROIL-HSZRJFAPSA-N 433.479 4.984 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc(-c3ccccc3)cc2)=C(O)C(=O)N1CCCO 1862721289 DKBYTIHWIDBDOV-XMMPIXPASA-N 427.500 4.623 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc2ccccc12 1862738301 YJWQPIXUOPQMTJ-QFIPXVFZSA-N 430.460 4.982 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 1862744935 XYMUHBSWGUCTSG-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2C)=C(c2c[nH]c3ccccc23)C1=O 1863495391 QLQJPLYOMZEWGM-UHFFFAOYSA-N 428.536 4.701 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866695929 MBFICQJLSJMZMG-LOSJGSFVSA-N 440.547 4.593 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccc(Br)cc3)C2)nc(CC)n1 1869133104 UACLLGPMFPKJBC-IBGZPJMESA-N 443.389 4.558 30 10 IJEE COc1ccc(/C=C(\C(=O)Nc2c(C#N)nnn2-c2cc(C)cc(C)c2)c2ccccc2)cc1 1870142344 MRWDYVHXQGTZFI-JLPGSUDCSA-N 449.514 4.944 30 10 IJEE CCCCCCCOc1cn(C[C@H](C)O)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1870836849 XUUGQCFBPYTTRM-SFHVURJKSA-N 445.560 4.661 30 10 IJEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)c(C)c1 1870901580 LAKKSEIYBHSOBD-UHFFFAOYSA-N 446.547 4.810 30 10 IJEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(CCCCN(C)C)C4)cc1 1871348320 DRUBVVNKIFNMGK-HAHDFKILSA-N 436.552 4.504 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)cc1 1871386874 RKPKZPNARQCUSF-XKZIYDEJSA-N 431.400 4.829 30 10 IJEE CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(OC)c(OC)c1)C2=O 1871394162 HVHWURAFIFEFSP-HMAPJEAMSA-N 425.525 4.956 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1O/C(=C\c1ccc(Cl)cc1)C2=O 1871421040 RLRKIFRFRDDIDK-XKZIYDEJSA-N 433.891 4.960 30 10 IJEE CCCCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 1871427188 RZIWYNHTLHQYER-NDENLUEZSA-N 425.437 4.632 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C)cc3)cc(C)c2C1=O 1871453593 HLYFLGQGQIQIPH-QRVIBDJDSA-N 429.472 4.946 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872141065 FGDUHSGLZRIZDK-SFHVURJKSA-N 427.353 4.587 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 1872265333 IKMLWDAXLDZBRA-HXUWFJFHSA-N 438.952 4.853 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 1872267651 JPLQKZBXTZNDFU-UWJYYQICSA-N 434.989 4.879 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc(OCC)cc1)C(C)C 1872612454 DTJNEZLRPBBEJI-QFIPXVFZSA-N 440.650 4.645 30 10 IJEE CCOc1ccc(/C=N/Nc2oc(-c3ccc(Br)o3)nc2C#N)cc1OCC 1873462169 REVRHTFYUJMUSJ-SSDVNMTOSA-N 445.273 4.812 30 10 IJEE Cc1c(CCC(=O)Nc2ccc(OCC(C)C)cc2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873952769 MKCATWPRDIPBNJ-UHFFFAOYSA-N 442.519 4.567 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2/N=C/c2cccc(F)c2)cc(C)c1Cl 1874218136 WWNLJVUTMHSYRK-WYMPLXKRSA-N 448.951 4.623 30 10 IJEE CCN(CC)C(=O)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1sccc1C 1874391479 ISEIVYACZCOTPO-DMGPTTAYSA-N 441.626 4.643 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1874445706 IWEUOLOBGZSNKU-VMHRPQTGSA-N 437.525 4.829 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2F)cc1 1874466031 NVXUKJAZHFZQCV-FOKLQQMPSA-N 441.419 4.899 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1/N=C/c1cccs1 1874475096 IYQWXMNRRWMKGD-LPYMAVHISA-N 427.599 4.912 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1 1874476885 XPSRALOYMHCQMK-ZMOGYAJESA-N 429.496 4.512 30 10 IJEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCc2ccc(C(=O)OCC)o2)cc1 1874525258 FBUUSAUMBJXVGJ-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE CCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1cn(C)c2ccccc12 1874525474 PAAQEMZEMALAKX-DHRITJCHSA-N 446.580 4.562 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C2CC2)c1OCc1c(F)cccc1Cl 1874558804 ZHWFPTVKKNCGMV-AUEPDCJTSA-N 432.908 4.707 30 10 IJEE C=CC1(Oc2cc(Br)nc(C(C)C)n2)CCN(C(=O)OC(C)(C)C)CC1 1881870617 NZOLOOWQRHLKAN-UHFFFAOYSA-N 426.355 4.697 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(Cc2cccs2)C(=O)OC(C)(C)C)[C@H]2C[C@H]21 1895609731 XXJGLISYQLTQIR-GSHUGGBRSA-N 433.574 4.777 30 10 IJEE CC(C)[C@@H]1C[C@](C#N)(N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1942594307 QLWMYHQOXUSUPD-WRALFONMSA-N 427.589 4.595 30 10 IJEE C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(C#N)c(Br)c2)N(C(=O)OC(C)(C)C)C1 1963656283 QGAIPCGPAKFVEN-XNJGSVPQSA-N 436.350 4.541 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1C[C@@H](CC#N)C1 1985178854 MDSHXQQCNGCYNL-FRBSRZPYSA-N 445.563 4.748 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(C1)CC(C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C2 2013368137 YAXYYURKGYYFTL-UHFFFAOYSA-N 447.498 4.859 30 10 IJEE CCc1nn([C@H](c2ccc(C)cc2C)C2CCC2)c(I)c1/C=N/O 2079016052 FRXCBEUZRFCEGN-NIQDBXHUSA-N 437.325 4.865 30 10 IJEE CCCOc1ccc([C@@H](C(C)C)n2nc(C)c(C=NO)c2I)cc1 2080124702 AILDBLBUYRYGRE-QGZVFWFLSA-N 441.313 4.638 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)ccc1Br)NCC 2089286437 NYVAHGDNKKYMKX-ZWKOTPCHSA-N 443.813 4.930 30 10 IJEE C=CCN(CC[C@H](Cc1ccc(Br)c(F)c1)NCC)C(=O)OC(C)(C)C 2099289538 ZWWAIJDOXRUMEP-MRXNPFEDSA-N 429.374 4.922 30 10 IJEE C=CCN(C[C@@H](NCCC)c1cccc(OC)c1Br)C(=O)OC(C)(C)C 2142368666 GUGFNRKRZOYJSO-MRXNPFEDSA-N 427.383 4.922 30 10 IJEE C[C@@H]1[C@@H](C(F)(F)F)N(c2ccc(C#N)cc2Br)CCN1C(=O)OC(C)(C)C 2174816364 DBBTYFPPQWDWHS-ABAIWWIYSA-N 448.283 4.697 30 10 IJEE C[C@H](NC(=O)c1cc(Cl)c(Cl)s1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631069 KNJWDOATXATKFJ-VIFPVBQESA-N 432.203 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)C1CCCC1 2180866748 PIZFXABYBYYLOX-MRXNPFEDSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)C#Cc3ccccc3Br)CCC[C@H]12 2235727044 QBGFRUCTMWMUPA-PGRDOPGGSA-N 432.358 4.940 30 10 IJEE C#CC[C@@H](C[C@H](O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237379310 CDEYUJBKTKZNFH-IHPCNDPISA-N 436.390 4.685 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(Cc1ccccc1)C1CCCC1 2247801979 KFNLXNRNFCZDMM-UHFFFAOYSA-N 425.403 4.941 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCN(C(=O)OC(C)(C)C)C[C@H]1CC 2262198651 ANUVUAYCDDOPFD-BWKNWUBXSA-N 447.572 4.657 30 10 IJEE C=CCCC1([C@H](N)Cc2cccc(F)c2Br)CN(C(=O)OC(C)(C)C)C1 2266314318 CQYRWHPQAVJRKV-MRXNPFEDSA-N 427.358 4.661 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 2267278310 AXRXPPMFNRJTHG-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1ccc(Br)c(OC)c1 2281477501 NAXWRZCWQUCJRQ-IEBWSBKVSA-N 439.394 4.805 30 10 IJEE C=CC[C@]1(COc2ncc(Br)c(C)c2N)CCCCN1C(=O)OC(C)(C)C 2287840836 OKUCCMONSMNNMP-HXUWFJFHSA-N 440.382 4.849 30 10 IJEE C#CCN1C(=O)SC(=Cc2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 2293983789 XRQCMMABCXUOSA-UHFFFAOYSA-N 444.468 4.997 30 10 IJEE C[C@@H]1CC[C@@](O)(C(=O)C#Cc2ccc(Br)cc2)[C@H](OCc2ccccc2)C1 2296222262 QEOBVIFUTYRKEP-NLSFWIRASA-N 427.338 4.506 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2296226125 BZKIQHBGDNEWMA-MOPGFXCFSA-N 433.390 4.711 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@@H](N)C#Cc3ccc(Br)cc3)ccc21 2296279871 UBAYLBXTXXJPJK-IBGZPJMESA-N 427.342 4.798 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)c2ccccc21 2296290078 YUQIHQSYHINDDW-OALUTQOASA-N 427.342 4.667 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2296307393 UBENSGHRDAIGET-RTBURBONSA-N 433.390 4.568 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1N=Cc1cccc(Br)c1 2297175038 QCGDBHWSFUGYSQ-UHFFFAOYSA-N 448.323 4.593 30 10 IJEE O=[N+]([O-])c1cccc(C=CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 2297230568 PFXRQINBSSZYDY-UHFFFAOYSA-N 433.380 4.941 30 10 IJEE O=C(CCC(=O)OCC(=O)c1ccccc1)Nc1ccc(C(=O)C=Cc2cccs2)cc1 2297557084 BSDWEWHWFMCPGH-UHFFFAOYSA-N 447.512 4.789 30 10 IJEE C=CCN1C(=O)C(=O)C(=C(O)c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 2297745519 KYIHVQZQRJWKQA-QGZVFWFLSA-N 432.701 4.710 30 10 IJEE CCCCOc1ccc(C=C2SC(=Nc3cc(C)ccc3C(=O)O)NC2=O)cc1OC 2314928413 VJLBMXBQWZPOFJ-UHFFFAOYSA-N 440.521 4.772 30 10 IJEE COc1cc(C=Nn2c(C)nnc2SCc2c(F)cccc2Cl)cc(Cl)c1O 2318571024 ANFVLXMCWLAOGJ-UHFFFAOYSA-N 441.315 4.921 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 2322371834 UTNFHHYWRMFCKL-UHFFFAOYSA-N 433.485 4.754 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OC(=O)C=Cc4ccco4)cc(C)c3C2=O)c1 2323163999 ZPZGEPQVYJBFNW-UHFFFAOYSA-N 432.428 4.840 30 10 IJEE CCC(=O)Oc1cccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(F)cc2)C3=O)c1 2323889696 GNFFUJGXVAHSIC-UHFFFAOYSA-N 432.403 4.977 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(F)c2)cc(OC)c1OCC(=O)OCCC 2324120674 OSGOPFMYENBQSY-UHFFFAOYSA-N 442.483 4.800 30 10 IJEE O=C(CCOc1ccccc1)Oc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1 2325745613 IIVCWFPYBNZNLH-UHFFFAOYSA-N 430.456 4.728 30 10 IJEE CCOc1c(Cl)cc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1OC 2326265679 NEQHWDVYPSWJPW-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE C=CCSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(Br)cc1 2329202728 KIHWODFWJYQYBE-UHFFFAOYSA-N 443.370 4.822 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(OCC)c(OC)c1 2329740542 FUQCYMCKNODOSR-UHFFFAOYSA-N 440.544 4.966 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)c(O)c2)cc1 2329992567 FRCPTVNRSCTBTR-UHFFFAOYSA-N 430.533 4.763 30 10 IJEE C=C(C)CSc1nnc(CC2CCCCC2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330269972 CZPRFWJTGDBQSV-UHFFFAOYSA-N 444.601 4.977 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)ccc1OC(=O)COc1ccccc1OC 2331179415 WTFBKLHZORHVGF-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnc(C)cn3)c([N+](=O)[O-])c2)cc1 2331305498 KMXRKTRDZHODLF-UHFFFAOYSA-N 447.447 4.597 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(F)cc1 2331491407 DGQFESIMKAARGK-UHFFFAOYSA-N 437.544 4.860 30 10 IJEE C[C@H]1C[C@@H](COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339578082 BORRVTUMTGLPRW-KAZAESRKSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CCC1 2339578833 MXFPQFASDYWTBI-KQDNUWKFSA-N 444.381 4.798 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(Oc1ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn1)C2 2339598388 CAEFZESUCMKIMC-GFKWINCYSA-N 442.365 4.551 30 10 IJEE CCN(CCN(CC)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339604183 LSEMPKIUVJOTDD-CCEZHUSRSA-N 445.413 4.810 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CCC[C@]1(C)NC(=O)OC(C)(C)C 2360194060 GANQZNQMSKJZRP-IPJJNNNSSA-N 435.406 4.862 30 10 IJEE Cc1nc(SCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c(C#N)c(C)c1C 10380990 XRJFEOSMAKKTKW-UHFFFAOYSA-N 425.945 4.508 30 10 IJEE CCCOc1ccc(/C=C2\S/C(=N\c3ccc(C(=O)O)c(O)c3)N(CC)C2=O)cc1 16928047 ZETCOPDLOSAYOU-WXUMLGSOSA-N 426.494 4.503 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(N(C)C)cc1)N2 20686444 MTMNOVHODMEYGC-JQYIIUTOSA-N 449.620 4.942 30 10 IJEE CCn1c([C@H](C#N)c2cnn(Cc3ccccc3Cl)c(=O)c2Cl)nc2ccccc21 27643941 HFAKKWOXZCNYNP-OAHLLOKOSA-N 438.318 4.623 30 10 IJEE C=CCn1c(SCc2nc(-c3cccc(C)c3)no2)nnc1[C@H]1COc2ccccc2O1 30922622 ANJAVMMJAHTVPR-LJQANCHMSA-N 447.520 4.627 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 34954448 TXCROEUHUBQGJE-LUAWRHEFSA-N 433.416 4.727 30 10 IJEE COc1cc(C(=O)Oc2ccc(C(=O)/C=C\c3ccc(F)cc3)cc2)cc(OC)c1OC 34954584 VZBDFCJXCUCXFL-MLPAPPSSSA-N 436.435 4.967 30 10 IJEE CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3ccc(Cl)cc3)c2C1 40570020 GRIXJSXFOAXXJZ-UHFFFAOYSA-N 448.979 4.992 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NCCCCn2cc(Br)ccc2=O)c1 62050162 RXNAYCNHEFEQIB-UHFFFAOYSA-N 446.389 4.659 30 10 IJEE COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1CN1CCCCC1 96765870 ORXWFPMJVWYUHU-NTMALXAHSA-N 425.525 4.603 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccc(O)cc1 169962799 KWMNZCIYHTZFCJ-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccn2)cc1 169991934 LDFOMMHJXQPIRR-QHCPKHFHSA-N 442.471 4.717 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2ccccc2)c1 170118168 RSMHOCWMHLLASX-UPCLLVRISA-N 441.483 4.802 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1C1CCCC1 170126174 UEZMUUIHSQOGDE-WNSKOXEYSA-N 433.504 4.540 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccc(O)cc3)ccc2O1 170130445 FYYWKFHRIFYGKC-JLCFBVMHSA-N 447.512 4.556 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccnc1 170188342 ZSUIUHHKFSNYNY-FQEVSTJZSA-N 434.879 4.835 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccncc2)c1 170199902 YQOBWFVUPBRHTC-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccccc1 170224112 CDQGEPJZENTGMK-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2Cc2ccco2)cc1 170266378 GIZQMQLCDXIILQ-QHCPKHFHSA-N 447.487 4.638 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@@H]1c1cccc(O)c1)c1ccccc1 170384662 WYWVUYMATGCVTP-XMMPIXPASA-N 440.499 4.775 30 10 IJEE C=CCn1c(SCc2nsc(N(C)C)n2)nc2cc(-c3ccccc3)sc2c1=O 426884649 ZEOHAXQXWPZHSS-UHFFFAOYSA-N 441.607 4.521 30 10 IJEE COc1cc(CNCC2CCC(C#N)CC2)ccc1OCC(=O)Nc1ccccc1Cl 441341625 VBMKYKVGMGAWGD-UHFFFAOYSA-N 441.959 4.786 30 10 IJEE N#Cc1ccc(OC2CCN(C(=O)c3cc(F)c(Br)cc3Cl)CC2)cc1 475658493 DKIZQOPONZZPOR-UHFFFAOYSA-N 437.696 4.797 30 10 IJEE COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s2)cc1 503065296 LIBAGKHBESGUFV-CMJOXMDJSA-N 443.569 4.566 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(c2nccs2)CC1 508728946 GHVPFEHGGGKNLA-QGZVFWFLSA-N 439.585 4.843 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(N(C)c2ccccc2)CC1 508810201 BRIBJKFXRKXETG-DQEYMECFSA-N 443.595 4.815 30 10 IJEE C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 508867324 PMDDIUJJVCFEDU-RTWAWAEBSA-N 440.588 4.572 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 508887033 GQMIPWCKHWRBNV-SFHVURJKSA-N 434.487 4.713 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(C(=O)N(CC)CC)CC1 508994063 FPUQOPJJXHGPIE-UHFFFAOYSA-N 436.387 4.523 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 526604171 JYNQMMHELXBAAI-JOCHJYFZSA-N 427.416 4.532 30 10 IJEE Cc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 549316564 LMCLKIZNQDQGIV-LJQANCHMSA-N 442.445 4.820 30 10 IJEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCCO2)CC1 555485603 HBRITFVULBNYQQ-INIZCTEOSA-N 434.371 4.951 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 589741147 UOJZJMAVYNRVFH-UHFFFAOYSA-N 434.462 4.846 30 10 IJEE N#Cc1cc(NC(=O)N2CC([C@H]3CCOC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 619321607 HWEDHNVDYNSXNU-AWEZNQCLSA-N 431.414 4.870 30 10 IJEE CC(=O)C1=C(c2ccc(Cl)cc2)N(c2cccc(C)c2)C(=S)N[C@H]1c1csnn1 731423844 ORCHTGYRCPEHCQ-IBGZPJMESA-N 440.981 4.936 30 10 IJEE C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C#N 732586207 GERDPBXIPNRUJL-GLYQVZKVSA-N 440.499 4.811 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(Oc2ccc(C)cn2)cc1 743476059 CKLLFVNIEDJMIZ-IBGZPJMESA-N 430.508 4.938 30 10 IJEE Cc1ccc2[nH]cc(CCC(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)c2c1 747105166 ONLMTVOPEHBKSH-KRWDZBQOSA-N 430.533 4.875 30 10 IJEE CCOC(=O)COc1c(Br)cc(C)cc1/C=C\C(=O)c1ccc(C#N)cc1F 781550517 ZNUUGOUMTWSBBZ-ALCCZGGFSA-N 446.272 4.606 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC[C@H]2Cc2ccc(Br)cc2)c1=S 920758064 MZKVXAKHRVDLMS-SFHVURJKSA-N 433.419 4.905 30 10 IJEE Fc1ccc(-c2cc(C(F)(F)F)nc(NN=Cc3ccn(CC(F)(F)F)n3)n2)cc1 1081014459 QDYGOTQFLWEZIQ-UHFFFAOYSA-N 432.303 4.506 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Cl)cc2C)n[nH]1 1084496192 PKLLSFHSFDIKHO-KZWQTOFQSA-N 440.960 4.999 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(NN=Cc2ccccc2Cl)n1 1084501329 IRYFMXMBGRAREB-UHFFFAOYSA-N 435.340 4.597 30 10 IJEE C#CC[C@]1(C(=O)N2CCC(=Cc3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1127180392 OUEDNWDGANZEGG-RUZDIDTESA-N 426.532 4.625 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccccc1 1130116438 NMYPBUHMOARHKA-QFIPXVFZSA-N 447.332 4.735 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCCC[C@@H]2C)cc1 1136228939 ZLAIRNZVMKBOPP-REWPJTCUSA-N 443.632 4.927 30 10 IJEE N#Cc1ccc(NCC(=O)N[C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)nc1 1136741536 HHTKHUUNJFDZFB-FQEVSTJZSA-N 443.309 4.911 30 10 IJEE C=CC1(CC(=O)Nc2nc(-c3c(F)cccc3F)cs2)CN(C(=O)OC(C)(C)C)C1 1150821294 YURCASYYFOPRMB-UHFFFAOYSA-N 435.496 4.840 30 10 IJEE C=C(C)Cn1c(SCc2ccc(Br)cc2[N+](=O)[O-])nnc1-c1ccncc1 1165788671 CTROQSHHXPJVER-UHFFFAOYSA-N 446.330 4.879 30 10 IJEE C=CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1169292560 MULZWPFEWPJMLJ-OAQYLSRUSA-N 428.960 4.558 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(CC(F)(F)F)CC2)n(-c2ccc(F)cc2)c1C 1170182898 AWWRFGDYNDJQAJ-UHFFFAOYSA-N 436.453 4.708 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 1186394610 ALJCHJNDRURZLO-PKOBYXMFSA-N 442.325 4.601 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1C 1196656401 AXFLXZDPOOXBBF-OAQYLSRUSA-N 434.367 4.570 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)N(C[C@H](O)COc1cccc2ccccc12)C(C)C 1214885488 AWEQESRMOMDPSN-NRFANRHFSA-N 447.535 4.792 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C)cc(CNC(=O)OC(C)(C)C)c1 1219209614 LBIFGCUMPCTUQF-UHFFFAOYSA-N 427.476 4.815 30 10 IJEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1227004042 AXFQMUQNKFUZGW-SDHSZQHLSA-N 430.596 4.768 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)cc1 1228655713 NAOYDLXWRMOWIM-HXUWFJFHSA-N 431.561 4.889 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 1231206616 NSCOKKMUOOTGEX-NFBKMPQASA-N 429.967 4.912 30 10 IJEE C=CCCC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1246654829 RVTNULVMFABTAK-WOJBJXKFSA-N 445.485 4.903 30 10 IJEE C#CCN(C(=O)[C@@H](SC)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1265210260 NYJVJRAPHVJQAU-QUCCMNQESA-N 430.367 4.839 30 10 IJEE CCOC(=O)C(F)(F)[C@@H](NC(=O)c1cc(F)c(C(F)(F)F)cc1F)c1ccccc1 1273550387 GIEDNKMWEFPOIH-HNNXBMFYSA-N 437.311 4.653 30 10 IJEE C#C[C@H](NC(=O)CCc1cc(Br)c(Br)s1)c1ccc(F)cc1 1275432440 VPIGRPRXPIQBDV-AWEZNQCLSA-N 445.151 4.836 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H](OC)C(C)(C)C 1286302298 CXKMGRBCHPMZDW-GHTZIAJQSA-N 447.023 4.771 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCOC1CCCCC1 1286303101 XNELRETWBMHBAA-GOSISDBHSA-N 430.980 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CCC1(C)CC1 1286517068 OMCKJMSJJDMWML-JOCHJYFZSA-N 443.389 4.899 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286569316 MHTFJJYVHWWDEZ-GOSISDBHSA-N 429.565 4.648 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1286611957 SGZABXXHFRZZMU-ZTCOLXNVSA-N 438.616 4.680 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1286721288 WHVAQPBUHXITQQ-XMSQKQJNSA-N 437.613 4.721 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1CC1CCN(C2CC2)CC1 1286742349 OZOCFALXXOUIDD-UHFFFAOYSA-N 446.643 4.805 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CC1(C(=O)N(C)C)CCCC1 1286743900 XDBCOOUQXPRSSG-UHFFFAOYSA-N 447.583 4.688 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC(F)(F)C1 1286745190 TVKLRIARPPIMNS-HKBOAZHASA-N 446.542 4.630 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)c2ccc(F)cc2)C1 1286812837 UHCYMNZVSXJQSK-DYESRHJHSA-N 426.561 4.655 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)N(C)C)C[C@@H]1C 1291154509 ADZXQGRWGQMOLF-JXALWOEJSA-N 434.632 4.810 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)[C@H]1C 1300348988 PZEOSIHJOCJZSP-ZIAGYGMSSA-N 439.448 4.903 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCS1 1300604395 IDFAAZUGBPTHAM-LJQANCHMSA-N 437.382 4.592 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CCOC)CCCCC1 1300620802 IYWFVCBJVZTTCR-UHFFFAOYSA-N 446.599 4.577 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(C)C 1300869256 KVZNZIKQIUVBHB-PKOBYXMFSA-N 433.394 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1300885880 SUSAMQPXGHPDHT-FJIJXJHWSA-N 438.616 4.896 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1300958773 PQPMPVZZZBITLX-GOSISDBHSA-N 429.634 4.919 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@@H]2CC)CC1 1301112689 ZAXLMIFIKUYQIL-PZJWPPBQSA-N 442.629 4.577 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2oc(CCC)nc2C)CC1 1301135988 XCVPZIFOFRSWQX-DENIHFKCSA-N 441.620 4.896 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301202768 QKZKUVYEYGBMPR-IBGZPJMESA-N 445.405 4.805 30 10 IJEE C=CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC[C@H](C)C1 1301221729 NTABYOXJGMKEQA-PMACEKPBSA-N 431.625 4.985 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1CCN(CC)C(C)C)C1CC1 1301317067 NVNXQHCSMGMRBS-UHFFFAOYSA-N 446.437 4.901 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCc1csc(C)n1)C1CC1 1301317676 YOONMWTTXNMJGY-UHFFFAOYSA-N 444.402 4.870 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCCCCC1)C(C)C 1301366640 GPEHNDXMJQFVCF-GOTSBHOMSA-N 429.653 4.641 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](SC)C(C)(C)C 1301420884 LLBHBEXZUKCDEP-NRFANRHFSA-N 439.629 4.910 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1301470206 SJVUBPWYLKMAQB-ZWKOTPCHSA-N 439.387 4.990 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ccncc2Cl)C1 1301538598 IZZPMACZGJTHPY-LEWJYISDSA-N 437.975 4.698 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc(I)c(C)c2C)cc1OC 1303876190 XDRKTWPSZRJHDI-UHFFFAOYSA-N 437.277 4.734 30 10 IJEE CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 1305104750 GBXYAHADTDLJAB-HSZRJFAPSA-N 434.632 4.811 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F 1306579788 IFNLLOCWERVCNM-AWEZNQCLSA-N 427.496 4.607 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2c(Br)cccc2C#N)CC[C@H]1C(F)(F)F 1307212165 SFSIEIVSCJLXDX-OCCSQVGLSA-N 448.283 4.603 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 1310862669 QVORKCKFJHHQDN-HXUWFJFHSA-N 439.350 4.600 30 10 IJEE N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)Nc2ccc(CO)c(CO)c2)cc1 1310888094 CYFHWXFYVLGXLY-UHFFFAOYSA-N 439.924 4.991 30 10 IJEE C[C@H]1CCCN(Cc2ccc(CNC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)C1 1311495243 HENXQBYUYSCLPL-NRFANRHFSA-N 428.580 4.789 30 10 IJEE C=CCN(CCc1ccco1)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 1312370471 PDQGAYMRAQBVAQ-UHFFFAOYSA-N 436.383 4.991 30 10 IJEE C#C[C@H](NC(=O)NCCOc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 1312777269 PMRKPLDPAPKWLY-KRWDZBQOSA-N 442.140 4.808 30 10 IJEE CCN(CC(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)s1 1313633411 HNRKDOHPSVQJIO-UHFFFAOYSA-N 429.977 4.974 30 10 IJEE COC[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(CC#N)CC1 1315792504 HZNUFQFPJFGGOB-IBGZPJMESA-N 439.604 4.567 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 1351446350 KTVWTBHXFDLWBQ-UHFFFAOYSA-N 446.894 4.954 30 10 IJEE N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 1353188095 CMNOFWBYULYANT-UHFFFAOYSA-N 437.883 4.604 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1nnc(C)s1 1358879257 NQEXSWVYHDCMAU-LBPRGKRZSA-N 435.384 4.503 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)Cc1cccs1 1358991454 BOPYQPKQBNVQLK-IBGZPJMESA-N 427.577 4.830 30 10 IJEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1359160544 XIOONPXHCYUDEZ-KRWDZBQOSA-N 438.494 4.534 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)Oc1ccccc1)C1CC1 1359247418 ATUMIZDASNJQGH-OAHLLOKOSA-N 442.361 4.658 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCC[C@H](C)C1 1359259217 OKDFKWNGNPVCPH-GOTSBHOMSA-N 444.627 4.577 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(C)C)C2)cc1 1359308402 NECAEBBIFAPDSQ-HSZRJFAPSA-N 431.584 4.749 30 10 IJEE C=CC[C@@H]1N(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCCC1(C)C 1436084217 UKFRUVSRALJHQU-PXNSSMCTSA-N 434.527 4.734 30 10 IJEE N#Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)ccc1Cl 1436189803 CAQDQZYHOZGTJA-UHFFFAOYSA-N 428.241 4.846 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nn(-c3ccccc3F)c3c2CCC3)C(F)(F)F)cc1 1436238117 APXFOLICVATGOZ-NRFANRHFSA-N 428.385 4.942 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 1457488720 CHDPPXOIOIOOSE-UHFFFAOYSA-N 425.963 4.798 30 10 IJEE N#Cc1cc(N2CCN(Cc3ccc(-c4ccc(Br)cc4)s3)CC2)ccn1 1458094386 HKFXZWUWLBPMNI-UHFFFAOYSA-N 439.382 4.766 30 10 IJEE C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 1458271855 BNUQDWWHHYHASK-HNNXBMFYSA-N 438.952 4.779 30 10 IJEE COc1ccc([C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)c2ccccc2)cc1 1460400373 FIIFUFUKFPXRLO-MHZLTWQESA-N 427.548 4.938 30 10 IJEE C#CCN(CCC(=O)Nc1cccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1460778757 PFKJZCVZRAOVHE-UHFFFAOYSA-N 435.568 4.503 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CSC(c3ccccc3O)=N2)cc1 1464349171 IBMOQFHWZKZMQX-QFIPXVFZSA-N 443.528 4.538 30 10 IJEE C=CC[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)c1ccncc1 1468883897 ICPHHQZCIJYOPS-TZIWHRDSSA-N 436.556 4.927 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)Cc2ccccc2)c1 1473272297 DKNBMQJQWQKVNH-UHFFFAOYSA-N 438.506 4.946 30 10 IJEE C[C@@H]1Cc2cc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)ccc2O1 1476010827 FGMLGNRFEDUIOK-GOSISDBHSA-N 427.504 4.977 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(Cl)c(C(=O)NCCN(CC)CC)c2)CCCCC1 1476296771 FGKLBXIAFREDCD-UHFFFAOYSA-N 435.012 4.812 30 10 IJEE CC[C@@H](CNC(=O)Nc1cc(OC)c(C#N)cc1F)Oc1ccccc1C(F)(F)F 1476908002 CRVCFSYBDPPXHB-ZDUSSCGKSA-N 425.382 4.704 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 1477522066 DIBORAOCRRJHAB-NDXORKPFSA-N 447.348 4.958 30 10 IJEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CC(C)(C)C1 1494252268 HGMJESQOGMLBHX-GHTZIAJQSA-N 432.572 4.585 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CCC(F)(F)CC1 1495748869 AVQDOBZHAHWWPQ-GOSISDBHSA-N 442.558 4.815 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)C1 1497678254 DCXXWIGGEKUPGH-OAQYLSRUSA-N 432.572 4.729 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@H]1C(=C)C 1507546291 PWHAWEVFUKFCTR-QYWGDWMGSA-N 449.382 4.603 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)C(C)(C)C1 1507555622 UJTVJNOCIGXCBF-INIZCTEOSA-N 432.410 4.722 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CCN(C)C1CCCC1 1507772797 UTYYRGRJCGFDGJ-RUZDIDTESA-N 437.657 4.745 30 10 IJEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCC(F)(F)F)CC1CC1 1507954976 SXNRKHDNSNRCJU-IBGZPJMESA-N 436.478 4.926 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1 1507997659 WLQDAUIWTIGRLQ-NHCUHLMSSA-N 426.605 4.619 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCSC1(C)C 1508002266 CELLUWWEAYINSG-JOCHJYFZSA-N 433.625 4.988 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCCCC1 1508006062 HMTSASRETFUFRM-JOCHJYFZSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H](C)Cc1cccs1 1508008755 SPMOXOLAFFXVRX-QZTJIDSGSA-N 428.627 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1508009172 YDHZJQQFBOEHIJ-HXUWFJFHSA-N 438.597 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCSCC1 1508011400 DBOYTVIHXUPKQG-UHFFFAOYSA-N 443.686 4.503 30 10 IJEE C=CCn1cc(C(=O)N(CCCCCC)c2nnc(-c3ccc(Cl)cc3)s2)nn1 1515597845 IRFWDFCZWKZTGL-UHFFFAOYSA-N 430.965 4.863 30 10 IJEE Cn1cc(CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccc(Cl)cc21 1523025715 DGBXMMFARNNIDI-UHFFFAOYSA-N 433.895 4.848 30 10 IJEE C=CC[C@@H](OC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)c(Cl)c1 1524463503 HJAMDSVCKOKFFG-CQSZACIVSA-N 434.728 4.920 30 10 IJEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H]1n1cccn1 1525926815 HWQNXVZAXSTBRK-SMIHKQSGSA-N 444.535 4.669 30 10 IJEE C=CC[C@@H](C(=O)NCc1cc(Cl)cc(I)c1)c1ccccc1 1529417796 JPOIQQUQBPMVAB-QGZVFWFLSA-N 425.697 4.921 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 1536382179 FWTFCRQYDDIZDO-NBGIEHNGSA-N 425.532 4.909 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)N1CCC[C@H](C)C1 1539035538 RPRQCXRBLUZZKX-GBESFXJTSA-N 446.064 4.802 30 10 IJEE C#CCCCCn1c(CC)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1539070920 GWHSPAMYGJCECR-UHFFFAOYSA-N 439.913 4.643 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCc1c[nH]c2c(CC)cccc12 1539332284 KSCYHLZYAIFDMM-UHFFFAOYSA-N 441.604 4.680 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 1539340842 UCXSIXMWZLQZCM-LJQANCHMSA-N 443.542 4.822 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)OC1CCCC1 1539496499 GUUDEMJYSWQMRG-IBGZPJMESA-N 428.602 4.712 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H](C)c1ccco1 1539497567 LCNPQAHXRKAIIK-HNNXBMFYSA-N 432.496 4.703 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1539505123 VDSATFYULTVUTE-FXAWDEMLSA-N 438.000 4.742 30 10 IJEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CC=C(C(C)(C)C)CC1 1539526319 MRVQTBZTJLIUEM-UHFFFAOYSA-N 433.625 4.830 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CC(F)(F)Br 1539538720 MDUZSKIXJHDUGQ-QFBILLFUSA-N 437.332 4.800 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1 1539624703 UYWNBLGBARUJCF-RXVVDRJESA-N 444.023 4.500 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)Oc1ccc(F)cc1 1539674613 ZHHBQYRSQWXLBH-LJQANCHMSA-N 448.546 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCN(C(C)C)C1 1539676360 NUICJAAFVZFVMT-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCc2cn[nH]c2)CC1 1539897716 JFSLAFAOAVUKHO-UHFFFAOYSA-N 447.370 4.532 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1539992333 XVTBMOXZGHDRBM-GOSISDBHSA-N 444.023 4.943 30 10 IJEE C=CCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1540040132 MVWZYYXIWXDEMW-NRFANRHFSA-N 426.605 4.939 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@H](C)C1 1540126856 LSDXBANUUWRLMD-UQAQOTMJSA-N 449.599 4.503 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H](OC)C(C)(C)C 1540161271 AKBZSVQMAHQHQS-GOSISDBHSA-N 433.394 4.947 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC(C)(C)c3ccc(Cl)c(Cl)c3)ccc2c1=O 1542535677 RUQVYGYXDAEZHG-UHFFFAOYSA-N 448.375 4.843 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1543171348 JKCANVUHIJHMOK-OAHLLOKOSA-N 442.478 4.647 30 10 IJEE N#Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CCc2cccnc2)cc1 1555987432 HRBMNEDATRLQIR-UHFFFAOYSA-N 440.473 4.623 30 10 IJEE C=CC[C@H]1N(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CCCC1(C)C 1556416106 LSYMIDYOXDVUPP-LJQANCHMSA-N 432.611 4.685 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2)s1 1556519740 SXWSNTLCAHATHS-INIZCTEOSA-N 449.418 4.519 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)c1ccc(C#N)c(Br)c1 1561204195 CJCCZPOPVCLSLR-SNVBAGLBSA-N 448.169 4.537 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 1562260203 HAAQRHKVSRLFDC-VWLOTQADSA-N 438.531 4.730 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](CO)[C@@H]1CCC[C@H](OC)C1)c1ccc(C(F)(F)F)cc1 1564406780 NZFSCWLILUHQFE-BTHPGYMESA-N 428.495 4.578 30 10 IJEE C#CCOc1ccc(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 1583685918 FJTVWWHXIUEPNB-OAQYLSRUSA-N 434.536 4.575 30 10 IJEE C#C[C@@H](NC(=O)c1cccnc1SCc1cc(C)on1)c1ccc(Br)cc1 1584708514 QODXURLTQZTVQA-GOSISDBHSA-N 442.338 4.537 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(CO)c(F)c1)c1ccc2c(c1)OCCO2 1585491955 COBHLEVYJOSBEX-UHFFFAOYSA-N 449.478 4.501 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 1585593390 DXPPMFLVKHFAGI-LTGZKZEYSA-N 441.474 4.632 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C(C)(C)C)cs1 1587936949 CVTZFPBGPOETKH-UHFFFAOYSA-N 444.402 4.579 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1588983811 CEMBTZCNPZDKLU-GBESFXJTSA-N 430.593 4.939 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C)[C@@H](C)C1 1589006422 DYVNVUVOLZYLDX-KSZLIROESA-N 428.671 4.980 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC2(CCC2)C[C@H]1CC 1589116042 BXKNJYWYABERSL-OAQYLSRUSA-N 438.641 4.999 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2ccccc2)C1 1589427764 XACRMGXIPBDWTM-QGZVFWFLSA-N 444.402 4.536 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 1593629813 AAKPNFDXFPQJFL-RTBURBONSA-N 431.625 4.841 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2sc(C)nc2C)CC1 1594014340 RKPZXNLDINKSJQ-INIZCTEOSA-N 427.549 4.835 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2C)CC1 1594022961 AVJOLXKEKYSUHZ-UHFFFAOYSA-N 426.362 4.559 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C(CC)CC)N(C)C)CC1 1594102171 BKQZKVGBOAENSV-QFIPXVFZSA-N 431.575 4.670 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(Cl)c(OC)c2)CC1 1594115435 QHVFYAAZYLJVBY-UHFFFAOYSA-N 444.004 4.695 30 10 IJEE C=CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H](OC)C1 1594582037 LIFOTVSCAFKVKB-KRWDZBQOSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2CCC[C@H]21 1594727233 MPPGPHXGKHNSBQ-VAMGGRTRSA-N 429.609 4.738 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1594798040 MYEIMMKIDKUPOS-UHFFFAOYSA-N 436.556 4.728 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1Cc1ccncc1Cl 1595094550 USOMFXBCOGQDSJ-QFIPXVFZSA-N 448.958 4.681 30 10 IJEE C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1595330050 INQZUDCUMIVCMW-INIZCTEOSA-N 445.539 4.677 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)Oc2ccc(Cl)cc2)C1 1595737568 CUVQXNJRHFNZBI-AVRDEDQJSA-N 445.007 4.913 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1612619703 BYXYUAYGNDPQCA-UWWQBHOKSA-N 436.585 4.556 30 10 IJEE CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC)CC2)C1 1614386656 FQPGUNOSKVTPFX-UGKGYDQZSA-N 448.615 4.528 30 10 IJEE C#CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 1615535487 GJQZAKDCCIMMQE-QGZVFWFLSA-N 435.705 4.970 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)c1 1617686872 AHTFKLHYYWGILJ-LAUBAEHRSA-N 437.540 4.883 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 1618806846 GHKWDPMLKXNMGK-UHFFFAOYSA-N 434.367 4.826 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 1623065281 SABFWZHCMAJVNA-ZDUSSCGKSA-N 429.439 4.602 30 10 IJEE C=CC[C@@H]1N(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCC1(C)C 1626454429 OJRYRVBYRHDTML-QFIPXVFZSA-N 444.572 4.762 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2-c2ccc(Cl)cc2)c1 1627688275 QDCNCKUYDNTBQJ-UHFFFAOYSA-N 437.948 4.734 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)s1 1630831655 AYQZWMORYXZVTH-UHFFFAOYSA-N 445.050 4.809 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(C)n(C[C@@H]3CCCOC3)c2C)cc1 1631143251 YWSIFAHHZIZUDF-NRFANRHFSA-N 435.568 4.598 30 10 IJEE C=CCC[C@H](NC(=O)N1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 1633470417 BCFUJXGKCKCPHT-FQEVSTJZSA-N 431.458 4.724 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 1633685287 DCDCGFFLZVQDJD-GOSISDBHSA-N 444.881 4.796 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sc(C(=O)Nc3cc(C#N)ccc3NC3CC3)cc2C1 1633875260 CBEQJSYRJXATLT-UHFFFAOYSA-N 438.553 4.740 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1F 1636373889 YKXHUVNJGKPFRX-FQEVSTJZSA-N 445.922 4.678 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](NCc1ccccc1)C(F)(F)F 1641582622 VALZPIUQFVDXOA-GOSISDBHSA-N 446.391 4.721 30 10 IJEE C=CCn1c(Sc2ccnc(Cc3ccc(F)cc3)n2)nnc1-c1cccc(OC)c1 1650840569 SKBZDACCEUADEN-UHFFFAOYSA-N 433.512 4.811 30 10 IJEE C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(Cl)cc1 1654150745 HVYXBFPZLRRUDR-VOZBZGINSA-N 439.762 4.650 30 10 IJEE C=CCn1c(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)nnc1-c1cccc(OC)c1 1655243310 NULVKVFZHWDMAR-UHFFFAOYSA-N 434.424 4.801 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CCOc2ccc(C(F)(F)F)cc2)cc1 1658244251 FBFINNYFLMTKLV-GOSISDBHSA-N 433.474 4.660 30 10 IJEE C#C[C@@H](N[C@H](C)CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 1659877671 CXHVTNCBMRWRKT-IIBYNOLFSA-N 439.353 4.568 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)C(C)C 1661878687 ZKBMEXOYOWSEGD-QFIPXVFZSA-N 442.604 4.757 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 1662495257 FFQJWHHNSGWVTP-UXHICEINSA-N 432.358 4.860 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc1 1664087807 XWMBLYVBISLUPU-IIBYNOLFSA-N 439.499 4.975 30 10 IJEE C=CCN(Cc1cccs1)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 1664121742 BOUOYBXDMRIWIM-UHFFFAOYSA-N 441.424 4.954 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1Cc2cccc(Br)c2C[C@@H]1CC)C(C)C 1665702193 ZBRIWZWHYVBDLU-UGKGYDQZSA-N 448.449 4.994 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1C)c1ccc(F)c(F)c1 1668689762 RMDCNUNOALAGKR-QGZVFWFLSA-N 434.277 4.771 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1668985712 DBBQNDJUVDXJDU-INIZCTEOSA-N 441.503 4.745 30 10 IJEE C#CC[C@H](NC(=O)N1C[C@@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC)c1ccccc1 1670716635 QCKZMJXBCADNKY-GVAUOCQISA-N 447.579 4.972 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC(=O)NC[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 1670826335 CUXGLFQHBNYHKV-UXHICEINSA-N 431.458 4.595 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br 1672906455 ASAMRSKUOOJHHI-HKBOAZHASA-N 429.358 4.914 30 10 IJEE C#C[C@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C)cn12)c1ccc(F)cc1 1674015144 RKRZDYBNFBTTBH-NRFANRHFSA-N 430.458 4.762 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1674035749 DWIDOUAXSWVRFQ-MDASCCDHSA-N 437.943 4.631 30 10 IJEE C=CCc1cc(CNC(=O)NC(C)(C)c2ccc(Br)cc2)cc(OC)c1OC 1676275548 WKPBYSRFNBIPNI-UHFFFAOYSA-N 447.373 4.929 30 10 IJEE CC[C@H](Cc1ccccc1Br)NC(=O)Nc1cc(C)c(N(C)C)cc1C#N 1678199333 ICFGASBLWYZZAL-QGZVFWFLSA-N 429.362 4.838 30 10 IJEE C#CCN(C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCCc2ccccc21 1678942864 UNRQRKPPUSFIQM-OAQYLSRUSA-N 434.927 4.655 30 10 IJEE C#C[C@@H](NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)c1ccc(Cl)cc1 1682352782 UQXGVQIEBZMFGT-MOPGFXCFSA-N 438.833 4.696 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 1683268396 VZWBWAATGGAEJJ-VQTJNVASSA-N 433.568 4.820 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(Br)cc1 1684139538 FSAZTTHTWNRZOP-QFIPXVFZSA-N 440.385 4.859 30 10 IJEE C=CCOc1ccccc1CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 1684552781 QXSIDNNHWDTKLK-UHFFFAOYSA-N 443.853 4.587 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCCN1CCCCC1 1689954309 TTWDBIYQOPNAOI-UHFFFAOYSA-N 434.415 4.978 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCC=C(C)C)CC1 1690115430 FZKREKWSWSFXMT-UHFFFAOYSA-N 449.599 4.924 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@H]1CCO[C@H](C)C1 1690193564 MSTPBKDPFJEFPW-GFTAFNIFSA-N 440.563 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC1(F)CCC1 1690272644 GPJCZVNDOPVTRX-HDICACEKSA-N 435.588 4.734 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1690369459 KLDHFEHFCZVXTR-VWLOTQADSA-N 442.604 4.696 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](CC)N2CCCC2)CC1 1690396713 KGTKBBDNNSMIOV-KNQAVFIVSA-N 441.595 4.834 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N(C)C1CCC2(CC1)OCCO2 1690435641 CCKQWZAGXKMVQQ-UHFFFAOYSA-N 438.616 4.788 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@](C)(O)c1cccs1 1690572097 SLTKYSSIWSPWKQ-QHCPKHFHSA-N 428.577 4.778 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690586687 SEYWJRVSDHHHBM-KDURUIRLSA-N 444.023 4.665 30 10 IJEE C[C@H]1C[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)C[C@@H](C)O1 1693589931 CXYHQOHKIQKLEV-HVYFLLBWSA-N 443.636 4.530 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC1(COC)CCCC1 1705502026 QSLMUGOZPVDZJR-GOSISDBHSA-N 430.980 4.565 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](C)c1ccccc1 1705504966 FNGWFDACMLMIOJ-ZVDOUQERSA-N 437.588 4.612 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(=O)CC)C1 1705511695 CPZSBIHGOOPDDB-KRWDZBQOSA-N 448.398 4.550 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705617241 XYXDBLGTIWOULK-WKCHPHFGSA-N 438.616 4.818 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCCC1(C)C 1705617939 NBMBMBGHVOKKHP-JOCHJYFZSA-N 433.021 4.625 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1nc(C(C)(C)C)cs1 1705676088 MAWDBWIBFOMZTN-JOCHJYFZSA-N 425.627 4.725 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@H](c3nc(C)c(C)s3)C2)nnc1C(C)(C)C 1705692258 DJERNCRRONFTHD-OAHLLOKOSA-N 438.439 4.942 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705800067 NLYDTWKUDRBDCP-MAUKXSAKSA-N 442.457 4.681 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1705801753 QNWZZTOSTQTRRY-HXUWFJFHSA-N 445.558 4.967 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1705838898 HBLMNSZFQHUDLF-ROUUACIJSA-N 428.577 4.568 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1cc(Cl)ccc1OC 1705879841 NBWMWOJXBIJYEE-OAQYLSRUSA-N 442.947 4.668 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C3CCOCC3)C2)cc1 1705911374 GFACEYIIIXHMEW-JOCHJYFZSA-N 438.616 4.733 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(OCC)CCCC2)C1 1705915192 BPCRFNKOCATDCZ-FQEVSTJZSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705941744 USBMJBDTAAMJJY-OKILXGFUSA-N 427.952 4.640 30 10 IJEE CCOc1c(Cl)cc(Cn2c(C(C)C)nnc2N2CCC(CC#N)CC2)cc1OC 1710495838 GFANLDZBYLYSEZ-UHFFFAOYSA-N 431.968 4.641 30 10 IJEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 1712315043 CAVBHSGOXWFRQG-UHFFFAOYSA-N 439.604 4.664 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722326229 FXUREOZDZWYPTA-WOJBJXKFSA-N 430.980 4.660 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1CCCc1nc2c(s1)CCCC2 1722413660 ICXDKDBGAOKETF-UHFFFAOYSA-N 433.625 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC1(COC)CCC1 1722471303 VTSIIOHEUYKUIA-OAQYLSRUSA-N 443.389 4.516 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCCSc2nccs2)CC1 1722576939 RZWKXFWLMDMZOF-UHFFFAOYSA-N 441.626 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722592742 ZYJAUIZZPCZYPI-LAUBAEHRSA-N 434.415 4.886 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCSC1 1722603981 RFUARYODVASVQR-LJQANCHMSA-N 449.665 4.691 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1722604116 ULNSUMZFSTVMLK-VWNXMTODSA-N 437.632 4.977 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(C)(C)C)C1 1722622652 QGSRNTBZIQZPLA-HNNXBMFYSA-N 436.398 4.501 30 10 IJEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722636879 CYVUUSHQEXPICO-UHFFFAOYSA-N 449.868 4.503 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC2(CCC2)C1 1740580307 UQPZREQYJUULCQ-UHFFFAOYSA-N 431.005 4.787 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](F)c1ccc(Br)cc1 1740605588 USBLCNYMDBRBRL-MRXNPFEDSA-N 448.727 4.536 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CC12CCC(CC1)C2 1740650307 VZGLJXQPOCQHOC-UHFFFAOYSA-N 437.385 4.751 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1c(C)noc1C 1740674025 QELUQUPJSIAGKV-UHFFFAOYSA-N 435.572 4.596 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@H]1C 1740741754 ZBAOFEFECKOXFY-CYBMUJFWSA-N 440.183 4.913 30 10 IJEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC(CN2CCCCCC2)CC1 1740743762 DKEJBPLTOBJBFW-UHFFFAOYSA-N 436.442 4.547 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1740750264 ANXWSEYAYYFGKJ-NFBKMPQASA-N 440.563 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC1CCCC1 1740760800 RVZYTHBEMQWOHK-MBSDFSHPSA-N 430.543 4.755 30 10 IJEE C=C(C)Cn1c(N(C)[C@@H](C)c2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740784942 DHVDIHIIIBSOLP-YESZJQIVSA-N 431.606 4.884 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N1CCC(C(F)(F)F)CC1 1740789963 MVEWOHQSJFRYFR-UHFFFAOYSA-N 445.489 4.865 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1740836848 NZOFDWHFQQQIAU-GOSISDBHSA-N 429.012 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1740847198 ZXPCRABBZXCINL-UHFFFAOYSA-N 432.572 4.694 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(CC)C1)c1ccccc1 1740855157 UGIDTCMKXKTQGB-QFQXNSOFSA-N 444.583 4.912 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1740856279 ZWARPNLIBJWHAK-QHCPKHFHSA-N 441.583 4.768 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CC(F)(F)CO1)C1CC1 1740906223 MQWIDAJYTQDHJR-KBXCAEBGSA-N 438.906 4.651 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(F)(F)CC1 1749023742 VSJBFRXBCNJFHW-OAHLLOKOSA-N 440.947 4.673 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@H](C)CC1 1749026815 QPLXSIOSVGKVRJ-IBGZPJMESA-N 442.629 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CCCCSC 1749058347 FUCSMMUHDHRLLK-HXUWFJFHSA-N 433.419 4.843 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](C)C1 1749112206 DQKRHYXLBSBACN-OKILXGFUSA-N 437.407 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(CC)C[C@H]1CCCO1 1749120542 FSMPJHHAYDARSG-TYPHKJRUSA-N 430.980 4.585 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1ccc(C)s1 1749223827 ZMTXCSNRSZBLSL-UHFFFAOYSA-N 448.596 4.730 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749417446 HECNCDJDFBYPBG-NRFANRHFSA-N 437.632 4.951 30 10 IJEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC2(F)F)CC1 1751000669 DTELOTGCUODUHO-HXUWFJFHSA-N 442.558 4.609 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H]1CCC[C@H](O)C1 1760101814 VMGIVOJVIJBVJM-XHSDSOJGSA-N 428.989 4.822 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1760158552 OEPGYCBNXLUMAJ-UHFFFAOYSA-N 428.527 4.985 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1760220589 OWSJGKGMDVAJOF-UYAOXDASSA-N 432.465 4.765 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC 1760328514 XCZYESRMRXFTJE-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(C)CCCO2)CC1 1760385419 QGEZGVSDYVRMLC-OAQYLSRUSA-N 431.378 4.742 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CCCSC2)CC1 1760406138 UEYOOOXOXYHHBD-FQEVSTJZSA-N 426.630 4.965 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1Cc1nc(C)c(C)s1 1760478096 VITIUWCBVKEHBY-UHFFFAOYSA-N 448.596 4.606 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2c(C)coc2C)C1 1760536385 ASVWBHPAKFIFBP-GOSISDBHSA-N 442.947 4.647 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCC(F)(F)C2)cc1OC 1766269525 FZRQDHMHDYLTMU-IAGOWNOFSA-N 447.530 4.916 30 10 IJEE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNc2ccccc2)CCC3)cc1OC 1772751033 TXPWAJQWHWKQAK-UHFFFAOYSA-N 447.535 4.730 30 10 IJEE CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(C)cc2)cc1 1859417764 LCAHXKITPPRFPA-UHFFFAOYSA-N 449.514 4.989 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(F)cc1F 1862412802 NNVGFXXEGWAKIT-JOCHJYFZSA-N 437.417 4.925 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C2CCCCC2)ccc1O 1862448735 UDKZJAJQDRMEMK-OAQYLSRUSA-N 441.911 4.965 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1862451474 GWWOWWLZBAOWGC-BMLIUANNSA-N 440.710 4.606 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccncc2)cc1 1862455878 DXOXHRITJJTCES-NRFANRHFSA-N 438.405 4.586 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(Cl)c2)ccc1F 1862502647 GICTXOYZFKQZMG-PXNSSMCTSA-N 429.875 4.545 30 10 IJEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862548835 ALJPBMNXNWTBIH-XDHUDOTRSA-N 447.575 4.822 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2[C@H](C)CC)cc1 1862633509 LSWULMPHEAZPOZ-QRQCRPRQSA-N 437.492 4.581 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(OC)c2)c1 1862703147 SCCLPWVPCKZUSA-POCHDABASA-N 435.520 4.861 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccc(Cl)cc3)C2=O)c1 1862797060 OPIOUKBZNHUTHQ-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE Cc1cccc(C(=O)c2cc(C#N)ccc2NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 1866141495 VGZYBTBHUYPRSI-JOCHJYFZSA-N 447.535 4.826 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1-c1ccccc1C(C)C 1870154336 SBFHPNXXKONFHE-UHFFFAOYSA-N 430.295 4.830 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCCCCC1 1870517672 QYUQAKGSJRPMDC-UHFFFAOYSA-N 447.664 4.880 30 10 IJEE CCCCCCCCn1cc(OCCc2ccccc2)c(=O)cc1CN1CCN(C)CC1 1870691543 KGQBIZDBLZVBKF-UHFFFAOYSA-N 439.644 4.578 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(C[C@H]3COc5ccccc5O3)CO4)C2=O)c1 1871353267 OLLRNLUWNSMSOA-AXKQXYKKSA-N 441.483 4.603 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)Nc1ccc(F)c(F)c1F 1871443526 WGJWHBKPUPHZSP-OCKHKDLRSA-N 443.352 4.877 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCC(C)CC2)n1 1871629718 XEJMXOQYDKSJSZ-UHFFFAOYSA-N 436.608 4.922 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CCC 1872580792 JUBGQNUROGCQTJ-JOCHJYFZSA-N 437.650 4.566 30 10 IJEE O=C1C(O)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1 1872955856 QCDDRJCSLZCUEA-UHFFFAOYSA-N 433.279 4.701 30 10 IJEE CCCCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(CCN(C)C)C1=O 1873119796 NYUKYAFRMUHENO-UHFFFAOYSA-N 441.660 4.984 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1ccccc1Cl 1873504658 GHMQQKCIDITAKJ-KCDOPAPYSA-N 444.944 4.542 30 10 IJEE N#Cc1ccc(NC(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2-n2cccc2)cc1 1873864770 XEUKQATWPSTPLJ-UHFFFAOYSA-N 437.381 4.686 30 10 IJEE C=CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1ccccc1F 1874221331 GCHNTWBAOBDOIQ-LFVJCYFKSA-N 426.517 4.598 30 10 IJEE C=CCSc1nnc(Cc2cccs2)n1/N=C/c1ccc(OCC)c(OCC)c1 1874413494 WVAOWCLFXVILMR-PXLXIMEGSA-N 428.583 4.888 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccccn2)cc1C 1874421203 ZWCWHFDAQFBYJN-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(SCc3ccccc3C)nnc2C(F)(F)F)cc1 1874458346 IMZZHABBGXHGNR-BHGWPJFGSA-N 434.443 4.566 30 10 IJEE C=CCSc1nnc(-c2ccco2)n1/N=C/c1cc(Br)c(O)c(OCC)c1 1874468033 NZCCCEXERMZQGJ-RGVLZGJSSA-N 449.330 4.565 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1/N=C/c1ccc(O)cc1 1874477909 OOVLTJDFWRRLIA-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3CC)nnc2C2CC2)cc1 1874517764 KEKVVQWGDBBOFF-MFKUBSTISA-N 433.581 4.893 30 10 IJEE Cc1ccccc1CCc1nnc(S)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874562348 QDBTXGPLPJZBHD-YZSQISJMSA-N 442.544 4.762 30 10 IJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1OCC(=O)NCc1ccco1 1874591788 BVLSOONBRHAWPJ-CSKARUKUSA-N 425.868 4.533 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCC 1874607886 LRUGVVHOBGMXQO-VZUCSPMQSA-N 446.341 4.649 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCC(=O)NCc1ccccc1 1874625506 IIDWADXXVVGCJZ-RIYZIHGNSA-N 433.479 4.816 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 1875087611 CESZPFKWGRGVQH-VZUCSPMQSA-N 448.387 4.627 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccccc1F 1875151706 YYTZSUGHNQUTJE-JXMROGBWSA-N 448.446 4.997 30 10 IJEE C[C@H]1SC(=NCc2scc(Br)c2Br)N[C@@H]1C(F)(F)F 1882706980 XYWYQMCXNCNYBN-VHWMUFPASA-N 438.132 4.785 30 10 IJEE O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 1891151738 XNXPALMRYQKTHF-GFCCVEGCSA-N 437.315 4.944 30 10 IJEE CN(CC1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1)c1ncccc1C#N 1891372444 VYFFCVXDHKFPLM-UHFFFAOYSA-N 440.547 4.521 30 10 IJEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C 1912188435 NZHSMALSFWIFHV-IERDGZPVSA-N 436.557 4.853 30 10 IJEE CC1(C)OB(C2=CCCN(C(=O)c3cscc3OCc3ccccc3)C2)OC1(C)C 1950320127 FRSWVICKYSMUNM-UHFFFAOYSA-N 425.359 4.731 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1Br)NCC 2028183101 KXLYVCZJROCJPT-SJORKVTESA-N 429.786 4.540 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2033307190 PDLAXIIDVQEHIK-HQRMLTQVSA-N 445.560 4.974 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NC 2047976155 KGZOHXQPSZDJCP-JKSUJKDBSA-N 429.786 4.540 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 2068005573 WAARIOGYIYLYFH-JCYRPKCISA-N 446.632 4.524 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(C)c1Br)NCCC 2159120602 JGFGTUJHVLYLBY-RBUKOAKNSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1cc(Br)cc(F)c1C#N 2163697168 JAMIYXJXCNPEKL-KRWDZBQOSA-N 448.283 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1 2181148715 ZULRZWSEKBPQBO-UKRRQHHQSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1c1ccc(C#N)c(Br)c1 2185153524 GFAWSHZCMYVCRQ-MRXNPFEDSA-N 444.320 4.840 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3ccc(C#N)cc3Br)CC2)C1 2193609780 HGYPWECLDPCMMZ-KRWDZBQOSA-N 434.378 4.794 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[C@@]2(C#N)N(CC2CC2)C(=O)OC(C)(C)C)C1 2213336615 OMQSYCGNDZGETH-IECBHUPTSA-N 433.593 4.953 30 10 IJEE C=C([C@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)[Si](C)(C)C 2229133655 MXMHIPRCJRMAAT-MSOLQXFVSA-N 441.486 4.907 30 10 IJEE CC[C@]1([C@H](C#Cc2ccccc2Br)NC)CCCCN1C(=O)OC(C)(C)C 2235722207 CFQSRHSTIBLRRY-SIKLNZKXSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@H](O)C#Cc3ccccc3Br)cc2C1 2235739003 DWYVAVFENQHNGM-HXUWFJFHSA-N 428.326 4.785 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[C@@H](O)C#Cc2ccccc2Br)C1 2235740645 QBTBQKBUCUJUNX-MJGOQNOKSA-N 436.390 4.835 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2235745495 CVZNXCFZACMFCF-AVRDEDQJSA-N 433.390 4.616 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2235749174 HOZOXBYDJGXNSI-OALUTQOASA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(C)(C)Oc2cc(Br)cnc2C#N)CC1 2236934743 JBKWBVBQIUBWSG-OTVXOJSOSA-N 438.366 4.957 30 10 IJEE CN(C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2255856054 WAZOXFSICNKSMK-TUFLPTIASA-N 427.394 4.701 30 10 IJEE CN(Cc1cccc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)c1)C(=O)OC(C)(C)C 2266707447 MVPQHBZLDNXXCN-UHFFFAOYSA-N 440.349 4.540 30 10 IJEE Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 2267117829 ZOVRQHWUAJMFNU-IYARVYRRSA-N 444.381 4.831 30 10 IJEE CC1(C)OB(c2ccc(C(F)(F)F)c(O[C@H]3CCN(Cc4ccccc4)C3)c2)OC1(C)C 2272100612 NDOUBGUJWRRMLK-IBGZPJMESA-N 447.306 4.658 30 10 IJEE C[C@H](CC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2273746703 HFSXDRORAQMNNI-RKCSUWQLSA-N 444.381 4.831 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCCCN)c1c(F)cc(Br)cc1F 2276549675 NNVDDGUISXRPMF-HXUWFJFHSA-N 426.301 4.907 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(OC)c(OC)c2)C1=O 2294017363 DQZKQDRXNXAEHD-UHFFFAOYSA-N 445.924 4.901 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(O)C#Cc2ccc(Br)cc2)C1 2296288397 GTCSRXDHXKRADN-YADHBBJMSA-N 434.374 4.733 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)cc1OC 2296865952 PKWJGRFACKAJIH-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE C=CCN1C(=N)SC(=Cc2cc(OCC)c(OC(C)C)cc2Br)C1=O 2297366473 TYRIRSHBHUSNMZ-UHFFFAOYSA-N 425.348 4.672 30 10 IJEE C#CCOC(=O)C=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 2314019648 VCMHIMIUSPEMSW-UHFFFAOYSA-N 435.701 4.880 30 10 IJEE O=C1C(=Cc2ccccc2)SC(=NN=Cc2cccc([N+](=O)[O-])c2)N1Cc1ccco1 2314840868 FXBNCJYIJPLALR-UHFFFAOYSA-N 432.461 4.694 30 10 IJEE C[C@@H]1[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317346777 MWQUMYAGTROANL-AFRBYUIBSA-N 430.354 4.503 30 10 IJEE Cc1cc(CSC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2320587013 LEBLBKXWMWRASK-SFHVURJKSA-N 447.450 4.784 30 10 IJEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1OC(=Cc1cccnc1)C2=O 2322930461 OLLIKMDJWFIVPR-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)c1 2324825827 BWYZLJKKOXOVMK-INIZCTEOSA-N 431.444 4.813 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)c1 2325744597 BMQBGKIWLHQFBP-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1 2325745345 YKVQTFKMYHHLBF-UHFFFAOYSA-N 444.483 4.901 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OCC)n1N=Cc1cccc(OC)c1 2326830235 VJJAQMNKDCFCQQ-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC)n2N=Cc2cccc(OC(C)C)c2)o1 2326838934 RJIMNHVYQCXRLP-UHFFFAOYSA-N 442.541 4.572 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccccn2)cc1 2328577029 XRETWIDACDIAHL-UHFFFAOYSA-N 429.549 4.641 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3F)nnc2-c2ccccc2)ccc1O 2330673083 WZNZOTIUOGAELI-UHFFFAOYSA-N 434.496 4.973 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@@H]3CCCO3)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 2330961547 NFJRYUSNFUWWOY-FQEVSTJZSA-N 437.525 4.829 30 10 IJEE N#Cc1c(-c2cccs2)cc(=O)[nH]c1SCC(=O)c1ccc(Br)cc1 874901 OFFMYYDJOMNGCX-UHFFFAOYSA-N 431.336 4.713 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2cccs2)n1)Nc1cc(Cl)ccc1Cl 21079363 MJYWRNKYJMNTJN-DJKKODMXSA-N 441.369 4.740 30 10 IJEE C=CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1 39770947 YVLLENJDLFBMLI-UHFFFAOYSA-N 425.329 4.596 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1cc(Cl)cc(Cl)c1 59016309 NQTNKESPGBAMPQ-RPOCDWGESA-N 447.351 4.953 30 10 IJEE O=C(CSc1nc2ccc(N/C=C3\C=CC=CC3=O)cc2s1)NCCc1ccccc1 136000826 MJBRJZNVAWUBAG-OBGWFSINSA-N 447.585 4.738 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2C)cc1 169926525 DMBLTTUOHAKEAR-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccco2)cc1 169955192 JAMUHWHGGWHBJA-NRFANRHFSA-N 436.895 4.778 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2ccc(O)cc2)cc1 169959792 KJHOVOOYSGSOOL-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(O)c(Cl)c1 170044038 UBDWWGNJZFNWQA-OAQYLSRUSA-N 441.911 4.884 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 170065143 ALZYLXKORATLSJ-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2c[nH]c3ccccc23)cc1 170076796 ZTGYKIOACSSZFQ-QFIPXVFZSA-N 428.444 4.548 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccccc2OC)cc1C 170126207 GFDJQYBUAORYNT-HSZRJFAPSA-N 435.520 4.842 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)cc(Cl)c2OC)[C@@H]1c1ccc(O)cc1 170136998 IPIHLXYHSKPTQO-KRWDZBQOSA-N 436.291 4.696 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3ccccn3)oc12 170169266 ITTMAQLGIFEZEK-OAQYLSRUSA-N 444.418 4.758 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)cc1C 170176421 ZQGIYNWJBHQEOD-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccncc1)c1ccc(Br)cc1 170203365 GNMLAHQYAHRBMS-LJQANCHMSA-N 435.277 4.627 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1C(C)C 170207934 MGFISHXNEXRYHD-HSZRJFAPSA-N 446.503 4.975 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccncc3)oc12 170209508 KKRJNPOYCUVPHB-OAQYLSRUSA-N 432.476 4.747 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(F)cc2)c(C)c1 170239115 NZJIFRICKIDJAA-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccc(O)c1 170257868 PYQXSHCOGHMOTA-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C)o1 170304285 YRFDBCGETUXLNF-IQMFZBJNSA-N 445.471 4.703 30 10 IJEE Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1N=Cc1cc([N+](=O)[O-])ccc1O 254622679 CAQSDNUANLQLRR-UHFFFAOYSA-N 437.368 4.919 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCCC 406877804 YYCKBAFARGWINT-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc(C#N)cc2Cl)CC1 444774167 HLUZBOYZEIPJDP-CQSZACIVSA-N 428.323 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CCOCC2)CC1 460962596 ZGWJUQATNBNOJK-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 508921384 YLVGWSVWKDZDEX-HSZRJFAPSA-N 435.616 4.671 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 512424077 NIWXIZKMWUQOMC-NFBKMPQASA-N 436.556 4.593 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 526606511 LIQLTXZATXCFIR-HSZRJFAPSA-N 441.443 4.922 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)cc2F)=C(Sc2ccccc2)C1=O 526659194 LNXYQPDREWISCF-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCc2[nH]c3ccccc3c2C1 565627509 UQOUOQRAJATEOI-CYFREDJKSA-N 425.536 4.753 30 10 IJEE C=CCn1c(SCc2nc3cc(C(=O)OCC)ccc3n2CC)nnc1-c1ccco1 576614617 ZNQCYLCBJPBTJE-UHFFFAOYSA-N 437.525 4.563 30 10 IJEE C=C(CC(=O)c1ccc(C)c(C)c1)c1cccc(C(C)(C)NC(=O)NC2CCNCC2)c1 585824994 BVLAUYDAGVIUKD-UHFFFAOYSA-N 433.596 4.876 30 10 IJEE C=CCn1c(SCc2nc(-c3ccoc3)no2)nc2sc3c(c2c1=O)CC[C@H](C)C3 591773707 SDPXHIKHBHHGIG-LBPRGKRZSA-N 440.550 4.704 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CC[C@H](C1)O2 670200651 BMVTYFALOQTASZ-CALCHBBNSA-N 437.371 4.540 30 10 IJEE C=CCn1c(SCCCCS(C)(=O)=O)nc2scc(-c3ccc(C)cc3)c2c1=O 675290875 XZINPCORKFHHIE-UHFFFAOYSA-N 448.635 4.536 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1=S 726592983 UYDZPVRZRHTAHB-QGZVFWFLSA-N 440.548 4.504 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 735343109 NXBSTUZHIVGOMV-UHFFFAOYSA-N 438.842 4.991 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C[C@H](C)c2ccc(C)cc2)C1=O 737414618 PGEMDRQPUMPAGB-LIRRHRJNSA-N 447.963 4.659 30 10 IJEE CN(C(=O)COC(=O)c1csc(-c2cccc3ccccc23)n1)C1(C#N)CCCCC1 778190043 CMFBNGQITVYLHI-UHFFFAOYSA-N 433.533 4.805 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)[C@H](C#N)C(=O)N(C)Cc3ccccc3)cc2)cc1 787065243 FDNUMHVUMTTXKQ-DEOSSOPVSA-N 426.472 4.663 30 10 IJEE C#CCOc1ccccc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1 788535004 VLYAHZPKWQWSJG-GOSISDBHSA-N 443.931 4.650 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccsc2)N([C@@H]2C[C@H]2c2ccc3ccccc3c2)C1=O 797818190 QTPPWTADNUMVPA-XUVXKRRUSA-N 435.574 4.525 30 10 IJEE CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1sccc1C)c1ccc([N+](=O)[O-])cc1 1084479218 VOWVBVPSKWYRCF-HSZRJFAPSA-N 434.521 4.732 30 10 IJEE C=CCO[C@H]1CCN(C(=O)N[C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1 1116572809 ZOCZUOMPQTZVMR-SFTDATJTSA-N 434.458 4.790 30 10 IJEE C=CCN(C(=O)c1cc(Br)co1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124352627 LUIVORUJKFLGNN-UHFFFAOYSA-N 434.271 4.907 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C)[C@H]2C)c1 1126479752 AMVPRIPIAIVKAB-QZTJIDSGSA-N 447.000 4.982 30 10 IJEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(F)c(SC(C)(C)C)c(F)c3)CC2)o1 1129056348 DJXATLCWGCYELJ-UHFFFAOYSA-N 434.512 4.879 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 1136372638 HDMOUGYQADUIPD-XMMPIXPASA-N 439.487 4.947 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)c1ccc(Br)cc1 1141460677 DIQKDBMVTCDROL-NRFANRHFSA-N 435.321 4.773 30 10 IJEE CC(=O)N(c1nc(Cn2c(C(F)(F)F)ccc(C#N)c2=O)cs1)c1ccc(C)cc1C 1166721327 CHSYOIRKMJYHAG-UHFFFAOYSA-N 446.454 4.545 30 10 IJEE C#Cc1ccc(S(=O)(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cc1 1187353417 KGIOEPMUVBXUGN-UHFFFAOYSA-N 432.383 4.611 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(c1ncc(Br)cc1C#N)C2 1187798373 JZVNYAQNMATQEO-UHFFFAOYSA-N 429.318 4.625 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O 1189649368 GVYKZYWNUSSVAW-CYBMUJFWSA-N 444.969 4.658 30 10 IJEE N#Cc1c(NC(=O)CN2CCc3cc(Br)ccc3C2)sc2c1CCCCC2 1193345374 BTSVRYKUMLTWIJ-UHFFFAOYSA-N 444.398 4.648 30 10 IJEE COc1cc(F)cc(C[C@@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1205104042 GDWSIXIJCSCYAM-MRXNPFEDSA-N 449.530 4.942 30 10 IJEE C=CC[C@H]1N(C(=O)N[C@H](CC)c2ccccc2OCC(=O)N2CCCC2)CCCC1(C)C 1223819506 QDVMBRYPDDVSLA-FYYLOGMGSA-N 441.616 4.915 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCONC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1230694935 XQOSZRMKTYHUHR-QGZVFWFLSA-N 445.482 4.858 30 10 IJEE C#C[C@H](NC(=O)N1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC)c1ccccc1 1252448909 MGZVMJRTYVYSOL-HJOGWXRNSA-N 433.552 4.582 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)Cc2ccc(Br)cc2C#N)cc1 1269744487 GKXHBCVFFZVZDC-UHFFFAOYSA-N 427.298 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N1CCC(C)CC1 1286279301 UNIOJXKEUZGYQV-QZNHQXDQSA-N 437.632 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCS1 1286518182 CKZPXJUEYRXEIC-YZZKKUAISA-N 428.577 4.835 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1c(C)noc1C 1286551177 GTAPKKFCRWHJAV-GHTZIAJQSA-N 441.963 4.821 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(COC)CCOCC1 1286570113 NCTSMDHLKBDAFY-UHFFFAOYSA-N 449.599 4.647 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](OCC(C)C)C1 1286588581 VCCPJMQYQHAFHP-KRWDZBQOSA-N 449.393 4.544 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(C)C)C1 1286604528 LYQMFZFTMJLJOU-OAQYLSRUSA-N 434.588 4.800 30 10 IJEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OCC(C)(C)C)ccc2C1 1286607053 JWUXTDDJXSOOEP-UHFFFAOYSA-N 449.599 4.854 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N(CCOC)CC(C)C 1286624681 MUYVVDLUQCZCFU-UHFFFAOYSA-N 427.774 4.569 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC[C@@H]2CCOC2)CC1 1286651750 KGSJERVFPACSEW-TZIWHRDSSA-N 440.588 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC(C)(OC)C1 1286666806 GVVUWHZOQYJRFT-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1286702149 MCECDHVSVCLPHK-UHFFFAOYSA-N 440.588 4.610 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC)c1)C1CC1 1286734858 XOIKUYOPZYFMJD-UHFFFAOYSA-N 442.361 4.638 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCOC1 1286747587 LJPUGFWZIZGNIU-MRXNPFEDSA-N 429.977 4.674 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1CCc1nc(C(F)(F)F)cs1 1286758938 GMISLUNIIKCCQT-UHFFFAOYSA-N 439.532 4.827 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC([C@H]2CCCO2)CC1 1286799232 RGIGLDHUHOFIIL-JOCHJYFZSA-N 438.616 4.875 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC1CCOCC1 1286962535 BKTSLKMXCPYMJO-LJQANCHMSA-N 449.555 4.530 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1300283459 UQWBBUFFUCCYDX-MRXNPFEDSA-N 431.471 4.679 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1300357574 QSZBKCJCEHAUPV-DEOSSOPVSA-N 438.579 4.783 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1300572551 WWASPVFHZBEMIA-LJQANCHMSA-N 426.511 4.632 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(C)(C)c1ccccn1 1300602686 SUEQBOAPELHQSX-OAQYLSRUSA-N 431.584 4.867 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@@H](C)[C@H](C)C1 1300740725 BVGWYCZUUFSHLH-IAGOWNOFSA-N 437.638 4.836 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1cccc(CN(CC)CC)c1 1300789508 OGADCYBEHPTXES-AREMUKBSSA-N 431.584 4.729 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H](C)c1nccs1 1300981364 ZAUIQDVSOUGIAB-SFHVURJKSA-N 448.596 4.782 30 10 IJEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)c1 1301168913 WPUCSEFQAJBQPD-UHFFFAOYSA-N 449.521 4.764 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS[C@@H](C(C)C)C1 1301179062 ZIMHBGCBHGHUIV-OAQYLSRUSA-N 430.618 4.896 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCN1CCCCC1 1301308275 CRKBSWYTMNZGLU-UHFFFAOYSA-N 425.621 4.653 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCCCC1 1301362167 BCTHBNKKXLIQQW-FQEVSTJZSA-N 443.661 4.691 30 10 IJEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(OC)ccc1Br 1301444548 MIHVXHYNMYMSPZ-UHFFFAOYSA-N 448.752 4.587 30 10 IJEE C=CCn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1301470242 UIOFVCGENAYMNW-QFIPXVFZSA-N 437.632 4.698 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1301606278 MCULPUHQJUWMLB-UHFFFAOYSA-N 447.608 4.667 30 10 IJEE C#CCC1(NC(=O)c2cc(S(=O)(=O)Nc3ccc(CCCC)cc3)ccc2C)CCC1 1303937520 YAMUCEHRYYFPRE-UHFFFAOYSA-N 438.593 4.814 30 10 IJEE C=CCc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)c(OC)c1 1350140510 JTOATGNITGXQEA-GOSISDBHSA-N 434.319 4.941 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1CC(CC)(CC)OC 1359069329 ISQBCBUZTOJHTF-XMMPIXPASA-N 433.556 4.797 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC1 1359093235 LHTCGTRGGQSLIS-HKUYNNGSSA-N 431.378 4.535 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)c2c(C)noc2C)CC1 1359166220 KFQVIQNAGSZBIF-OAHLLOKOSA-N 427.499 4.712 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2CC2(N(C)C)CCCCC2)CC1 1359168834 KVRQVNPHIOSUAV-UHFFFAOYSA-N 437.632 4.840 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)c2nccs2)CC1 1359169111 UQWGBRRNSXJQJT-QGZVFWFLSA-N 441.626 4.996 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1359190974 JNQTWWIUINNPLA-HXUWFJFHSA-N 429.653 4.744 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](COC)C1 1359223756 VLAHEMVUZIIYQZ-LJQANCHMSA-N 444.645 4.731 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359244598 JPXQSZLGFAFPCA-AVRDEDQJSA-N 449.020 4.574 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCC(F)(F)F)C1 1359319383 YCLDBYOEQWJTSZ-MRXNPFEDSA-N 433.478 4.561 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)(F)F 1359761088 CPROXLXVKLZSQC-OALUTQOASA-N 435.494 4.657 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCC[C@@H]3c3ccccc3)CC2=O)cc1Cl 1436262984 DPWUKBGUJQHTGN-KCZVDYSFSA-N 435.955 4.655 30 10 IJEE C#CCOc1ccc(C(=O)N2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)cc1 1436584291 JVIIIOKDJRUASC-INIZCTEOSA-N 443.316 4.620 30 10 IJEE CC(=O)c1ccc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)cc1C 1455330938 FOKVIUXHIWRFGT-UHFFFAOYSA-N 429.325 4.902 30 10 IJEE CN(C)CCOc1ccc(CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1 1456184038 DJSZFYFQFCRTOB-UHFFFAOYSA-N 445.588 4.622 30 10 IJEE O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cnn(-c2ccc(F)cc2)n1 1457182365 CIADUHALUUAOPI-HNNXBMFYSA-N 433.283 4.886 30 10 IJEE C=CCn1c(SCC(=O)NCCC(C)(F)F)nnc1-c1ccc(Cl)cc1Cl 1460583703 AOGHNRSCUMHIIJ-UHFFFAOYSA-N 435.327 4.692 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@]2(C)COc3ccccc3O2)cc1OCC 1461651344 GHCIPTHVWMKKJO-QFIPXVFZSA-N 448.357 4.732 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)C3(Sc4ccc(C)cc4)CCCC3)c2C#N)C1 1461784582 FZSZSARHZHNKPH-UHFFFAOYSA-N 439.606 4.876 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cc1OC 1462039451 CEDLQQGAAVUVQT-QRGKHIHXSA-N 449.378 4.999 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1467931974 ISZMCYDVUIVUEV-NYVOZVTQSA-N 446.588 4.635 30 10 IJEE C=CCC[C@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)c1ccccc1 1468145394 LYWBYNUIAXDMBV-JXFKEZNVSA-N 434.349 4.605 30 10 IJEE C=CC[C@@H](CO)CNC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1468519238 WSJJRPXMWOYCHP-CYBMUJFWSA-N 444.400 4.760 30 10 IJEE C#CC1CCN(C(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1469364708 NSSUZTNQPDNWDX-UHFFFAOYSA-N 430.548 4.567 30 10 IJEE O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC2(CC1)OCCCO2 1476792225 HFFYPRCCPFSKQD-UHFFFAOYSA-N 444.347 4.737 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)cc1 1478455706 GSEIKYVSDYQKTE-OAQYLSRUSA-N 441.369 4.672 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCCCC1 1507799191 VNRNUNNQLZPWGE-ICSRJNTNSA-N 432.515 4.908 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)CC 1507810738 XXFVRRDIKKPKMG-HMFYCAOWSA-N 432.996 4.974 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccc(OCC)c1 1507819852 VMECWCNUKJCLLO-UHFFFAOYSA-N 444.377 4.885 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(CC)CC2)CC1 1507897875 MVDWCSCBBDUELN-UHFFFAOYSA-N 426.561 4.564 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1507944047 OFRSDAOUCJJADV-UYAOXDASSA-N 428.552 4.776 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1507946926 SRXDPXROADVECG-FQEVSTJZSA-N 439.604 4.961 30 10 IJEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1507964959 JKSCHDNEANLFTL-FXAWDEMLSA-N 427.420 4.624 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cn2ccsc2n1 1508012218 SOCRHCOXRKYOBQ-UHFFFAOYSA-N 428.924 4.674 30 10 IJEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1523340842 YIXJTYDLIMBMKC-RUZDIDTESA-N 444.579 4.585 30 10 IJEE Cc1nc(-c2ccc(CCNC(=O)c3ccc(Br)cc3C#N)cc2)cs1 1525042571 HBNYIMORMHHTGJ-UHFFFAOYSA-N 426.339 4.725 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1OC 1525219724 OGLOGBNSELQPFC-YRNVUSSQSA-N 435.520 4.630 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)C1 1526527185 RHNMGLKWOCQIFC-LLVKDONJSA-N 446.807 4.753 30 10 IJEE CCS(=O)(=O)N(C)c1ccc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc1 1529227798 HEJUYMAZUSFEBK-UHFFFAOYSA-N 449.532 4.583 30 10 IJEE C=CC[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 1530229897 RLEUUCBEVXFTRC-QGZVFWFLSA-N 444.292 4.779 30 10 IJEE Cc1ccccc1NC(=O)[C@H]1CCc2ccccc2N1C(=O)c1cc(C#N)cc(N(C)C)c1 1536387762 IEENPJKZJOFILZ-RUZDIDTESA-N 438.531 4.533 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCC=C(C)C)c1 1538481874 ZEEFVHBUVCJFAE-UHFFFAOYSA-N 432.973 4.807 30 10 IJEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1539497551 LABKHBJYJDDNEL-QFIPXVFZSA-N 433.021 4.606 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)C[C@H]1CC 1539499142 FLKCWJFOSVCNDP-ZIAGYGMSSA-N 439.448 4.760 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1cc(F)cc(F)c1 1539569858 KKDWSQVQUNLLOF-DNRQZRRGSA-N 442.554 4.710 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1539787580 PIABUCFLRAXSDQ-HXUWFJFHSA-N 432.996 4.984 30 10 IJEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1539812847 RPRADUIDCOINAL-UHFFFAOYSA-N 439.007 4.546 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1539888176 MVHNADYLSNKIHL-IFMALSPDSA-N 428.552 4.919 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(CC)C1CCCCC1)c1ccccc1 1539947319 IQQNRIHCSZLVMZ-JOCHJYFZSA-N 435.616 4.919 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1539989232 QPFNADGUDXHMFR-INIZCTEOSA-N 442.951 4.649 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C)C1CC1 1540112667 ZJTWSJIKIPPUPQ-OAQYLSRUSA-N 428.024 4.798 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCc1csc(CC)n1 1540122246 SKHRLIBXUSFVDW-UHFFFAOYSA-N 432.597 4.871 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCc1nc(C)c(C)s1 1540186460 CFHAXXNSASDDDW-HXUWFJFHSA-N 441.601 4.664 30 10 IJEE C=CC[C@@]1(C(=O)N(C)Cc2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1540332280 MHBGQQVPFLFBOJ-NRFANRHFSA-N 437.378 4.753 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1540360575 XDAJDMADYCPVPM-CJNGLKHVSA-N 428.982 4.677 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)[C@H](C#N)C1 1543734503 HOPPFVRKNMGTID-MRXNPFEDSA-N 431.945 4.654 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 1558597703 HLEGBXYINHZKKK-IEBWSBKVSA-N 446.334 4.786 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cc(C(F)(F)F)cc(C#N)n1 1559058668 ARNGUJMRQXPYTP-UHFFFAOYSA-N 435.406 4.619 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 1559335548 DRLRYQWFCQWXIK-UHFFFAOYSA-N 430.479 4.999 30 10 IJEE C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C2(C(=O)OC)CC2)cc1 1559380380 BFSYTHMRGZUUQF-UHFFFAOYSA-N 435.549 4.540 30 10 IJEE CCC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CCN1Cc1ccccc1 1559676445 IECZJEHKEUBFQM-ZEQKJWHPSA-N 432.612 4.617 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(c3cccc(Br)c3)CC2)CC1 1559786565 GXOKRMSOFCNBEA-OTQYULQBSA-N 446.433 4.948 30 10 IJEE C#CCOc1cccc(Cl)c1CN1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1560905271 WWUPKAMJGGJMKQ-VQTJNVASSA-N 425.956 4.909 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 1564015050 HCRIUATUNCZANR-JOCHJYFZSA-N 442.604 4.953 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCCCN1CCCCC1 1564143734 NNMYPJKEIUXTRS-UHFFFAOYSA-N 440.401 4.942 30 10 IJEE CCN(CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C(=O)OC(C)(C)C 1584719698 DZCCWRGMQJODCG-UHFFFAOYSA-N 443.931 4.991 30 10 IJEE C=C[C@H](OC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1ccccc1 1587279089 LUYSGTWVTBAYBT-NRFANRHFSA-N 439.558 4.579 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CC1(SC)CCC1 1588167038 VIVRDWNOTJKRRY-UHFFFAOYSA-N 431.030 4.582 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1589078671 WBEUEESSYHYLAE-WOJBJXKFSA-N 429.033 4.905 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1ccnc1C 1589176853 AMYZJJFMZQVNDF-JOCHJYFZSA-N 443.382 4.839 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)C[C@H](C)C1 1593878297 GZUSSIIMLUFRCJ-XYJFISCASA-N 438.016 4.627 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(OC)nc2)CC1 1594012984 AHDFKAMZHZZCBH-QGZVFWFLSA-N 439.947 4.680 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN(C)C(=O)OC(C)(C)C)CC1 1594064329 MJHILYQTOLDCQJ-UHFFFAOYSA-N 449.958 4.761 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1cnn(C)c1 1595191363 QLTMXWHQQZTMQL-UHFFFAOYSA-N 431.371 4.797 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)/C=C\c1ccc(OCCN(C)C)cc1 1596887324 ZHDBTYJWBLGYJE-GHXNOFRVSA-N 445.357 4.606 30 10 IJEE C#C[C@H](NC(=O)c1cc2c(Br)cccc2cn1)c1ccc(Br)cc1 1596984438 AJZPXLLIAIWGFM-KRWDZBQOSA-N 444.126 4.864 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N(C)C)CCCCC1 1611728566 CGQRJDPEDWWDDZ-OALUTQOASA-N 442.583 4.560 30 10 IJEE C=CCn1c(SCCc2cc(Cl)c3c(c2)OCCCO3)nc2sccc2c1=O 1613299411 PDDNDLOQTSNQDK-UHFFFAOYSA-N 434.970 4.794 30 10 IJEE CC[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC[C@H](C)C3 1613394138 ALYBIFDMHXRDNM-UONOGXRCSA-N 425.579 4.975 30 10 IJEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)C1 1616994043 HINDDRFZZYJOMG-HXUWFJFHSA-N 443.542 4.895 30 10 IJEE C#C[C@@H]1CCCN(CC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)C1 1618915689 BTTRIVDGRFUSPP-OAHLLOKOSA-N 430.957 4.529 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCCc4ccc(C(C)C)cc43)ccc2c1=O 1624528734 NLMLJVDKNZNHGB-NRFANRHFSA-N 433.577 4.802 30 10 IJEE C#CCOc1ccccc1NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1625436236 FHEZMSILPPCABO-UHFFFAOYSA-N 431.439 4.634 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)COc1ccccc1OC 1625539661 ZXXVQQLCRBGPGU-OAHLLOKOSA-N 449.345 4.859 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 1626744609 GMRMJYHXGSVQKE-XUZZJYLKSA-N 439.625 4.507 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)CCCN1C(=O)OC(C)(C)C 1629082854 VOYLMVVAAVUKPB-RUZDIDTESA-N 425.573 4.654 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)cc1OC 1629278425 SZRGWHSXWMCGJL-UHFFFAOYSA-N 425.403 4.556 30 10 IJEE C=CCCC1(CNC(=O)NCCCN2CCN(c3ccccc3Cl)CC2)CCCC1 1630254279 LCKXHONSYKIMQZ-UHFFFAOYSA-N 433.040 4.678 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 1632367173 ICZHPIQXQUWZOY-RDTXWAMCSA-N 444.457 4.524 30 10 IJEE C#CC[C@]1(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1637229146 IYPATAYXPNXQDQ-KBMIEXCESA-N 428.548 4.715 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1637540486 XSIWHIYPLUZBPN-JKSUJKDBSA-N 435.531 4.714 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1sc(-c2ccccc2)nc1C 1638212579 BIBJMRBGOWIYKQ-UHFFFAOYSA-N 430.533 4.799 30 10 IJEE C=CCCC[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1)C(=O)OC 1638394486 AEKIHZFQHZNGOU-QHCPKHFHSA-N 431.536 4.535 30 10 IJEE C=CCn1c(SCC(=O)Nc2ncc(C3CC3)[nH]2)nnc1-c1ccc(Cl)cc1Cl 1639347913 FEGATPPZCFZWOJ-UHFFFAOYSA-N 449.367 4.769 30 10 IJEE N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1Br 1639497365 DJXCHUMMKXUQIM-UHFFFAOYSA-N 429.295 4.914 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC([C@H](O)c2cccc(OC)c2)CC1 1642115591 PITWODOVJIMZFZ-QFIPXVFZSA-N 449.469 4.865 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 1644732733 DAWUSWWHNKXVDU-BKMJKUGQSA-N 437.653 4.639 30 10 IJEE C=CC[C@H](C)Sc1nc(C[C@H]2C[C@H]3CC[C@H]2C3)nc2c1c(O)nc(=O)n2CC(C)C 1656224724 OXMWJTCTLJKQSR-LUKYLMHMSA-N 428.602 4.584 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(C(=O)NC3CC3)ccc2C)cc1OC 1656816730 IAEJZOMMNKNMNI-UHFFFAOYSA-N 445.357 4.835 30 10 IJEE C=CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 1657951343 JCLWXRIPXNRIIS-SFHVURJKSA-N 443.569 4.740 30 10 IJEE C=C(C)CN(CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)Cc1ccc(CO)o1 1658612666 QXKFYMVSRQJNSF-UHFFFAOYSA-N 425.554 4.529 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 1658659114 MEEDQJZWISMHHL-UHFFFAOYSA-N 447.457 4.720 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 1659230843 ZROIDVZYOMMJKY-UHFFFAOYSA-N 436.515 4.932 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 1661119503 QXTCXDOKBZTLGW-UHFFFAOYSA-N 446.517 4.898 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)c2)nc1 1667421625 FZZMWQBWOJPWNT-UHFFFAOYSA-N 449.898 4.869 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 1670473976 KWUGNHFJVKIPEP-UHFFFAOYSA-N 445.342 4.854 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)NCc3ccc(OC(F)F)c(F)c3)cc2)ccn1 1672525138 AEEODVOLWYJPAJ-UHFFFAOYSA-N 428.370 4.808 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1676750294 VUDCLCMWXHIPLB-MOPGFXCFSA-N 442.384 4.919 30 10 IJEE C=CCc1cc(CNC(=O)NCc2cc(Br)ccc2C)cc(OC)c1OC 1677966979 QIOFQRYJOJABGN-UHFFFAOYSA-N 433.346 4.503 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCCN1C[C@@H](C)C[C@@H](C)C1 1678351240 CZBNZWNYPLNXMQ-CALCHBBNSA-N 438.410 4.894 30 10 IJEE C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1ccc(Cl)cc1 1682351886 CLCISSMKNYJTCA-ONTIZHBOSA-N 444.909 4.603 30 10 IJEE C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1682725483 NBLTZQFIPXDWIN-MRXNPFEDSA-N 428.508 4.602 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 1683106930 PNDBSRPPDKHRLE-GOSISDBHSA-N 448.430 4.525 30 10 IJEE C=CCC[C@H](NC(=O)NCCCNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 1685817461 ONZFMZLDLVDYOG-FQEVSTJZSA-N 433.474 4.832 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1690209193 NOUIKLKYRQNYIN-RIFZZMRRSA-N 437.535 4.920 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690222003 GOVOIBJXJCPVOS-GOSISDBHSA-N 445.361 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](c1cccnc1)C(C)C 1690260502 NBLXGPNDYCTXTH-QFIPXVFZSA-N 447.583 4.954 30 10 IJEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1690340600 XAYPWUFGEUGBCR-UHFFFAOYSA-N 425.817 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690430943 XSBNJYNULJYPBL-UHFFFAOYSA-N 431.522 4.560 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690457165 SCIWDEAHOUEJGB-ROUUACIJSA-N 446.437 4.983 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1CN(CC)CC 1690534890 OTYRBFSPFUNPSA-DHIUTWEWSA-N 439.648 4.709 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C 1690567986 WWFZVLCIZYAQAW-GOSISDBHSA-N 445.583 4.990 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)c(Cl)c1 1690607366 LCWHMASBFPFOHB-SFHVURJKSA-N 444.938 4.841 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC(F)(F)C2)C1 1690711943 LAAXIALKDZCGSX-UXHICEINSA-N 446.542 4.691 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C)c1c(C)noc1C 1705606037 IYAMISCFDVZMIZ-INIZCTEOSA-N 428.540 4.670 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1705620778 GEXBCCZJRVCFNL-IBVKSMDESA-N 437.607 4.520 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](OC)[C@H](C)CC 1705669647 RXICXERTBYWRHI-KXVHNFKESA-N 431.584 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCc1ccc(OC)c(OC)c1Cl 1705674200 BSELOBGEHMVEKW-XMMPIXPASA-N 445.007 4.772 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCSC1 1705698431 UHZSLLHLYVFQLS-YSFYHYPLSA-N 426.630 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C)C1 1705704668 XZYWHANJOOBNFZ-UWVAXJGDSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(CC)C1CCCC1 1705708586 DWTRAYDNVRPVHJ-NTKDMRAZSA-N 440.588 4.616 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCN(C)C2CCCCC2)CC1 1705770068 PIUCWHAVMWEMEG-UHFFFAOYSA-N 437.632 4.689 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(CCOCC)CCC2)CC1 1705771639 BBNSJSYLVDBEEY-UHFFFAOYSA-N 428.552 4.750 30 10 IJEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](c2ccco2)C1 1705813154 XBNNZYRMLFHSNY-IBGZPJMESA-N 430.455 4.684 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(C)C)C1 1705826322 BGHOGCLLKZCUFB-SFHVURJKSA-N 433.394 4.783 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H](OCC)C1CCCC1 1705836146 HNMGVMRHPPJYNF-SFHVURJKSA-N 436.398 4.643 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1 1705851024 RFVFUYHCMCSSNT-SFHVURJKSA-N 439.604 4.911 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1nc(C(C)(C)C)cs1 1705866184 JMMSBIUJILRWCD-MRXNPFEDSA-N 443.642 4.838 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1 1705910594 HBOCIJPHBPIOPH-NHCUHLMSSA-N 437.632 4.543 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2CC2)C1 1705916352 OYNHESWVQRMFLI-PXNSSMCTSA-N 430.980 4.880 30 10 IJEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CC1CC1 1708339701 FCMNHMBUOHAVGW-QRQCRPRQSA-N 433.959 4.665 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)c2cccs2)CC1 1712761349 FCSIAHFDBNXYFD-MRXNPFEDSA-N 439.610 4.883 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCCN1CCC[C@H](C)C1 1722345745 JQOQERBNKDSKOL-FQEVSTJZSA-N 439.673 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)C1 1722495888 IIPJEAHBFBACMV-QMHWCDLVSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCN1CCC[C@@H]1C 1722501802 KOAGLKPDHMQODL-HNNXBMFYSA-N 438.439 4.656 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2c(C)noc2C)CC1 1722570101 UUAWAUGCLBJHMK-UHFFFAOYSA-N 427.936 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1722586492 HGBSSDXPUDOIDU-QFIPXVFZSA-N 433.600 4.724 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722611589 KMEMRZGMVWYJAX-ICSRJNTNSA-N 428.577 4.711 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1722628951 DCSBGSWIBXVSRH-LJQANCHMSA-N 436.604 4.720 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722629444 RGUAVVXMXDFFFG-DENIHFKCSA-N 449.426 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC1 1722664062 OSPAQRJENUDCMY-KRWDZBQOSA-N 443.617 4.982 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCc1scnc1C 1722664366 XPLUDLTUYJQMNN-GOSISDBHSA-N 429.615 4.781 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC[C@H]1C[C@H](F)C1 1722678460 RFPRSIJNKVWPMA-HDJSIYSDSA-N 443.386 4.546 30 10 IJEE Cc1nc(C)c(CCn2c(-c3ccc(C#N)cc3)nnc2N(CCC#N)CCC(C)C)s1 1725148370 HIUSXAPKGFIIEO-UHFFFAOYSA-N 447.612 4.899 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCCCC1 1740540335 YVRQVTJZCYDEMB-KRWDZBQOSA-N 435.597 4.530 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 1740825056 IFWHKMWIPPLXEC-OAQYLSRUSA-N 440.588 4.564 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1cnn(C)c1)c1ccccc1 1740854498 HCYZFOATEFTKSR-DHIUTWEWSA-N 434.588 4.640 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)CC[C@H]1C 1740883188 LYMNCQRHPRJOSK-DLBZAZTESA-N 433.394 4.925 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C1CCCCC1 1740933940 LIRUGJUUHHOYDQ-FGZHOGPDSA-N 429.653 4.640 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)cc1F 1740937704 MPIBEXOZSGRPKH-JOCHJYFZSA-N 440.519 4.544 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCCN(C2CCCC2)CC1 1740949150 KTDKZTGMTXHCAR-UHFFFAOYSA-N 437.632 4.930 30 10 IJEE C=CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(F)cc1Br 1740949258 BOGWIUSWRRSJFS-AWEZNQCLSA-N 439.239 4.553 30 10 IJEE C=CCSCCn1c(CC)nnc1N1CCC(c2c[nH]c3ccc(OC)cc23)CC1 1741003008 VLEHENCDZBABEK-UHFFFAOYSA-N 425.602 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1cnc(C)s1 1748680142 NQVZILQFPSQRLG-MRXNPFEDSA-N 444.004 4.523 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC1CC1)C1CCC1 1748729925 GBVJKRBBJYVIHB-NRFANRHFSA-N 441.620 4.923 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@H]2CCCC[C@H]2C1 1749046735 DUDRTVJNLQPNAN-YADHBBJMSA-N 438.641 4.802 30 10 IJEE C=C(Br)Cn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H]1CC=CCC1 1749109150 FBDWWFVUVFRVHS-SFHVURJKSA-N 440.389 4.982 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1749181801 TVOJSRJTDMBYAO-MJGOQNOKSA-N 429.996 4.696 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1749390254 CACGILHBTBDCEE-OAQYLSRUSA-N 446.530 4.755 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749392834 AMWQKCGOGZPJLZ-QGZVFWFLSA-N 444.992 4.693 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(Cc1cccs1)C(C)C 1749414207 BFCQVCIAMJHRES-UHFFFAOYSA-N 444.626 4.791 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC2(CCCC2)C1 1749421116 LKGJIXRBVVISPO-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1749515226 SLIUGACDSODAQD-HOTGVXAUSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCC[C@H]1C 1749549259 TZZZQYRTWSURAS-LJQANCHMSA-N 432.597 4.555 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCOC(C)(C)C)c1cccnc1 1750587008 CXQDVUHBVQFWEE-HSZRJFAPSA-N 446.599 4.903 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CCCCCC1 1751090528 FTNDQANXTUGCFT-INIZCTEOSA-N 435.403 4.866 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCN1CCCC(C)(C)C1 1760098245 QGYXPOCSZUPWRX-IFMALSPDSA-N 437.632 4.615 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cccc(C)c1 1760161999 VDWADEWIZWXCDF-NRFANRHFSA-N 437.588 4.708 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1760167557 UIRAEDPTLZZBOM-KKUMJFAQSA-N 433.781 4.867 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccccc1C 1760197537 ZXGKTJMBDRWURK-LJQANCHMSA-N 444.604 4.592 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1760286584 PANLUINAMIYWIR-APWZRJJASA-N 433.046 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1c[nH]c2ccccc12 1760407899 TYACAUILENJBJI-UHFFFAOYSA-N 434.588 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760409193 MWCVHTFLHAFCER-KRWDZBQOSA-N 437.544 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760413895 XVKWZRVOWRMCGQ-UUOWRZLLSA-N 445.007 4.509 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1760428964 MJYTYRSGAFFYSI-GOSISDBHSA-N 429.559 4.748 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760446938 AUVODDBVDZAWGP-JOCHJYFZSA-N 434.588 4.501 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760450536 MXTNYQMVDQDDMA-QFIPXVFZSA-N 429.653 4.621 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN(C)C1CCCCC1 1760461774 GLGCJFLGKAFVJJ-UHFFFAOYSA-N 434.588 4.877 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1cc(OC)nc2ccccc12 1760498539 VHMQAXYEMTWXOD-UHFFFAOYSA-N 431.540 4.835 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1760512685 ZMTZLUYKCTUTSZ-QGZVFWFLSA-N 431.378 4.965 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnc(C)s1 1760534162 ZVCOCDCSGZRXMN-OAQYLSRUSA-N 439.585 4.534 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCC(C)CC2)C1 1762492604 AEEHFBHHPAIBHH-NRFANRHFSA-N 434.632 4.954 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1862235782 PKQGCSVFLRTXKD-INIZCTEOSA-N 436.396 4.823 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2C)cc1 1862389702 LPQSTPWPQDEWGT-DEOSSOPVSA-N 434.580 4.868 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(N(CC)CC)cc1 1862462614 HXKLNOYFDMKHQI-NRFANRHFSA-N 446.469 4.938 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(Cl)c2)ccc1F 1862503200 SIKCOJMBAJHQNK-NRFANRHFSA-N 436.870 4.961 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc2cc[nH]c2c1 1862526601 HXVRLSWMFLCFML-SFHVURJKSA-N 425.282 4.529 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(CC)cc2)cc1 1862529545 HOOODEWIMOTUGE-XMMPIXPASA-N 426.516 4.985 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C(C)C)ccc1O 1862550312 FPZJGMJYMPETRL-HSZRJFAPSA-N 435.520 4.656 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(C)cc2)cc1 1862554348 AOUFNACWYXIYLG-DEOSSOPVSA-N 426.516 4.707 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc2cc[nH]c2c1 1862608333 LRXVTBHPPUCALR-QHCPKHFHSA-N 446.503 4.564 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccccc1 1862637269 WIPFXQODQORQHN-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1F 1862638809 KPWGQSXDYCCOOO-WNSKOXEYSA-N 447.462 4.879 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccccc2F)cc1 1862662928 NNJWFRQBCKCAAQ-JOCHJYFZSA-N 425.500 4.690 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 1862688632 XSROQMJDSCPGHV-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3ccc(Cl)cc3)=C(c3ccccc3[N+](=O)[O-])C2=O)cc1 1862862686 AZQMEISJYHGXJF-UHFFFAOYSA-N 444.834 4.516 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)C23CC4CC(CC(C4)C2)C3)=C(c2ccc(OC(C)C)cc2)C1=O 1863695797 ZQOHEAIUSYDMLT-DKODJIDWSA-N 448.607 4.934 30 10 IJEE CC[C@@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1cccc(C#N)c1 1867013104 ILGIIEDJNJOGMK-ZEQKJWHPSA-N 433.552 4.764 30 10 IJEE Cc1ccc([C@H](C#N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(Cl)cc2)cc1 1867369255 IIYFCANTMGXPQW-GOTSBHOMSA-N 449.913 4.510 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(Cc3ccccc3C)CC2)nc(-c2ccccc2)n1 1867972682 QRWIVBIBWOCJAS-UHFFFAOYSA-N 439.607 4.953 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 1870002865 XJXHGASHDJWEPY-UHFFFAOYSA-N 442.350 4.934 30 10 IJEE Cc1cccc(OCCCC(=O)Nc2c(C#N)nnn2Cc2ccc(Cl)c(Cl)c2)c1 1870110267 JOHSNNLRZWWOBM-UHFFFAOYSA-N 444.322 4.611 30 10 IJEE CCCCCCCCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CC(O)C1 1870471263 YHVMLHIDBUUQPH-UHFFFAOYSA-N 426.601 4.745 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870512008 NQLXDDPTLXMOJY-SZPZYZBQSA-N 447.664 4.590 30 10 IJEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871089287 DUTALVHZELOCQG-UHFFFAOYSA-N 438.890 4.894 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1ccc(CC)cc1 1871237641 VYCWTAHLGMOCNJ-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc3c2CN(C[C@@H]2COc4ccccc4O2)CO3)C1=O 1871353659 UMGKTXHRVQIYQU-VPCUTTBHSA-N 441.483 4.603 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2)C3=O)cc1 1871388755 BXZHVOTVPZPMLE-UCQKPKSFSA-N 444.439 4.846 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 1871396047 KFBPOPZVHRXDMO-LZAZYHHXSA-N 427.928 4.707 30 10 IJEE Cc1cc(OCCN2CCCC2)cc2c1C(=O)/C(=C/c1cccc(Br)c1)O2 1871444708 RGCDJXOHSHDTRO-MOSHPQCFSA-N 428.326 4.848 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccc(O)cc2)nc(Nc2ccc(C(C)(C)C)cc2)[nH]1 1871555689 BCRTYPPBCZWVPL-UHFFFAOYSA-N 444.583 4.831 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCCCCC)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588227 WJJXYIOGVSFERP-UHFFFAOYSA-N 433.604 4.891 30 10 IJEE C=CCOc1ccccc1OCc1nc2ccc(C(=O)NCCOc3ccccc3)cc2[nH]1 1872807277 ZWIPHVXKEKKUJR-UHFFFAOYSA-N 443.503 4.516 30 10 IJEE CCCCCCCCCCN1C[C@@H](C(=O)N(C)Cc2cc(O)nc3ccccc23)CC1=O 1873018413 PNCVRMAPDFQGHW-NRFANRHFSA-N 439.600 4.888 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874379912 RXYGGGZMJGITOA-BHGWPJFGSA-N 446.935 4.926 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccn1 1874452251 MELIREZYYMJXTP-MFKUBSTISA-N 434.569 4.506 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(F)(F)F)cc1 1874458958 OWXINJMRTWQGSR-OPEKNORGSA-N 447.486 4.835 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2/N=C/c2cccc(Cl)c2)o1 1874495379 IFMAZPNZIDABGV-SSDVNMTOSA-N 430.917 4.753 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 1874651875 YGEZCOQWOAHGBY-PPXQLYMYSA-N 445.607 4.612 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(OC(=O)C(C)C)c(OC)cc2Br)c1 1874695266 SELRCWWNQMKGEX-CMDGGOBGSA-N 433.298 4.924 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)ccc1OC(=O)c1cnccn1 1875193354 GKYDXGLJLIUWHZ-QPJJXVBHSA-N 438.867 4.653 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccc(F)c(Cl)c3)ccc21 1890602848 KIANQADRBXGNKR-UHFFFAOYSA-N 430.907 4.988 30 10 IJEE CC1(C)CCCN(C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)[C@H]1C#N 1902266003 SDJNLQAFYAYZAX-QHCPKHFHSA-N 443.547 4.598 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@](C)(O)C1CCC(NC(=O)OC(C)(C)C)CC1 1922076195 CQXZYKOTWGASRN-SHZLTDHESA-N 446.632 4.572 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)c1csc(CNC(=O)OC(C)(C)C)n1 1922077698 PNDLRZDNJDCODM-NRFANRHFSA-N 431.602 4.982 30 10 IJEE N#Cc1ccc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c(F)c1 1951406471 FFEWJOSTATUDHJ-KRWDZBQOSA-N 444.462 4.794 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 1991397690 CTNVQMPYNAMTMQ-ORAYPTAESA-N 435.487 4.714 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)C1(OC)CCCC1 2052484290 QDFNXZRXSKZWID-GOTSBHOMSA-N 446.632 4.980 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2N2CC[C@@]2(C)CCOCc2ccccc2)OC1(C)C 2077041610 DQGMKXSVFWQAMO-DEOSSOPVSA-N 442.796 4.610 30 10 IJEE CCc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079126448 XUJDOJMZZXGIAU-AWEZNQCLSA-N 445.226 4.940 30 10 IJEE C[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1nc(C(F)(F)F)c(CN)c1Br 2079853510 FCWGHTNOZDLWNE-LURJTMIESA-N 434.153 4.890 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(C)C)c(C#N)c2I)cc1C 2079945962 ONAXXFOFJCKGGP-SFHVURJKSA-N 435.309 4.799 30 10 IJEE COc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C(C)(C)C)cc1 2080031120 XPTCLIQUVWFYIQ-KRWDZBQOSA-N 435.309 4.881 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441096 BLJXZCDZMVCLIY-OCCSQVGLSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CN(c3cc(Br)c(C#N)cc3F)C(C)(C)[C@H]2C1 2174807422 BNLURBSECJMKCV-KBPBESRZSA-N 438.341 4.542 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1ccc(Br)cc1C#N 2181052266 DHPADHVTXDYGLM-MRXNPFEDSA-N 438.366 4.931 30 10 IJEE Cc1cnc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)c1 2190478365 LIHCXHPMGJLORM-JVNMPXIPSA-N 448.416 4.509 30 10 IJEE N#CCc1ccc(CNc2ccc(Br)cc2I)cc1 2231672104 JWVJAOXMHAGCBQ-UHFFFAOYSA-N 427.083 4.732 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](CNC(=O)OC(C)(C)C)C(F)F 2235750888 ZWGCKTGJQKMRTH-HOTGVXAUSA-N 445.348 4.575 30 10 IJEE CCc1ccc(C#CC(=O)c2ccc(I)c(Br)c2)cc1 2239729319 ZPISESGBQSETPF-UHFFFAOYSA-N 439.090 4.851 30 10 IJEE Cc1cnc(N[C@H]2CN(Cc3ccccc3)C3(CCCC3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2241077283 WSKPTVFGABBEDY-JOCHJYFZSA-N 447.432 4.688 30 10 IJEE Brc1sc(C#CC[C@H]2CCCN2)c(Br)c1Br 2244546030 FYPWOUMSNTYBPB-ZETCQYMHSA-N 427.987 4.529 30 10 IJEE C=C(CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)B1OC(C)(C)C(C)(C)O1 2256614881 PWANXKPRUSLGBI-UHFFFAOYSA-N 430.354 4.602 30 10 IJEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1CCCCC1 2267267247 JAYIAKSZMHCHPB-UHFFFAOYSA-N 436.405 4.547 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C1CCCC1 2267502015 HKHXEGKWEKEGNB-UHFFFAOYSA-N 435.373 4.579 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)cc1 2273722268 FMFNTSJJVATEGL-XNTDXEJSSA-N 444.381 4.615 30 10 IJEE N#Cc1ccc(NCCc2cccc(I)c2)c(F)c1Br 2289509251 UAODLQNPFBXUKO-UHFFFAOYSA-N 445.073 4.719 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccccc3)ccc2O1 2296114254 UBIABAWBMUVICY-XDHUDOTRSA-N 425.484 4.632 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2296218344 CZXKAWCFPPJALU-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)C#Cc3cccc(Br)c3)ccc21 2296223008 YANKKNVZJLXPMM-UHFFFAOYSA-N 426.310 4.981 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H](Cc1cccs1)NC(=O)OC(C)(C)C 2296272904 MRGRKAZDJIYCPC-RTBURBONSA-N 449.414 4.586 30 10 IJEE CCN=c1ccc(Br)cc(C(=O)C=Cc2cccc(Br)c2)c1O 2297464271 ORCXBARLHJPSCZ-UHFFFAOYSA-N 437.131 4.734 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2301432956 CJDKQFLDPVATQR-IZBOUPIGSA-N 428.617 4.903 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc(OC)c1O 2320858327 DYJRNKOEZSREFN-UHFFFAOYSA-N 444.944 4.706 30 10 IJEE CCCOc1ccccc1C=Nn1c(S)nnc1Cc1ccc(Br)cc1 2322238763 INCNGCBGOBXILI-UHFFFAOYSA-N 431.359 4.591 30 10 IJEE CCOc1cc(C=CC(=O)c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 2323813303 WZVQGOHIMPLJFH-UHFFFAOYSA-N 446.459 4.907 30 10 IJEE COc1cccc(C=C2Oc3cc(OCc4nc(O)c5ccccc5n4)ccc3C2=O)c1 2325200906 PWZMKROITXUPSS-UHFFFAOYSA-N 426.428 4.539 30 10 IJEE CCOc1cc(C=Nn2cnnc2SCc2cccc(C)c2)cc(Br)c1O 2325648895 SUIBECLOWPQNKF-UHFFFAOYSA-N 447.358 4.628 30 10 IJEE CCCSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc(CC)cc1 2325921956 SAMUQMYJVLMAOJ-JOCHJYFZSA-N 447.608 4.741 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(OC)c(O)c1 2326545794 HYHCYWVBYPSEKB-UHFFFAOYSA-N 446.960 4.917 30 10 IJEE COc1cc([N+](=O)[O-])cc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)c1O 2326635560 UEPLMRGFSISLSR-UHFFFAOYSA-N 449.492 4.537 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1cccc(OC)c1 2326688862 FAUYJWMSIYDASP-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccco1 2328691547 QWZSXVOTAYVGPB-UHFFFAOYSA-N 436.512 4.979 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc2ccccc12 2329029852 DIDGFTVHLOIBFS-FQEVSTJZSA-N 433.581 4.706 30 10 IJEE O=C(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-])c1cnccn1 2330812623 UAQZMWCQTFLARA-UHFFFAOYSA-N 444.230 4.807 30 10 IJEE Cc1ccccc1C=Nn1c(CC(C)(C)C)nnc1SCc1nc(O)c2ccccc2n1 2330863031 KYMPXVBNSXVBSK-UHFFFAOYSA-N 446.580 4.998 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCc2cccc(F)c2)nnc1[C@H]1CCCO1 2330935338 ZHTNVJJXDANXFG-GOSISDBHSA-N 432.908 4.802 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(C)C)cc1 2331018046 LIFIZBMGXZZQMK-UHFFFAOYSA-N 427.618 4.902 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1N=Cc1ccc(Cl)cc1 2331646897 BDRICLMWMGJBGX-UHFFFAOYSA-N 432.933 4.828 30 10 IJEE C=CCOc1ccccc1C=Nn1c(SCC(=O)Nc2ccccc2)nnc1C(C)C 2331673633 HAUUFCCPQCTQPA-UHFFFAOYSA-N 435.553 4.579 30 10 IJEE CC[C@H](NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338510745 AHEKEPVVCBGPPX-RXVVDRJESA-N 446.441 4.530 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(COc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339579675 ZJKLVQPSJPBJSX-NTCAYCPXSA-N 444.381 4.895 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)C3CC4(CC(OCc5ccccc5)C4)C3)C2)OC1(C)C 2342482652 XOYXDOXIUIFTFE-JUAHTYNRSA-N 439.405 4.847 30 10 IJEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@](C)(B3OC(C)(C)C(C)(C)O3)C2)cc1 2342486496 WAIJNAUJGBQSPI-DEOSSOPVSA-N 444.381 4.756 30 10 IJEE C#CCCCCCCC(=O)Nc1cc(Br)ccc1I 2352585762 REZUSFWUZZVOGW-UHFFFAOYSA-N 434.115 4.966 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2365059096 LCTCRNSSSSDXLO-BJKOFHAPSA-N 445.416 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1c(Br)cnn1C(C)C 2367979995 DHIDOXPBVAOKKJ-FQEVSTJZSA-N 437.334 4.532 30 10 IJEE Cc1cccc2c1N(c1cc(Br)cnc1C#N)CCN2C(=O)OC(C)(C)C 2381155298 ZVUYCESHTSQHJG-UHFFFAOYSA-N 429.318 4.917 30 10 IJEE C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4c(F)cccc4Cl)n3)cc21 11969260 HIPUCMOKJNYNRN-UHFFFAOYSA-N 443.887 4.766 30 10 IJEE COc1ccc(CSc2nnc(N/N=C/c3cccc(Oc4ccccc4)c3)n2N)cc1 20292470 QFDFVCSQPFBKTD-MFKUBSTISA-N 446.536 4.531 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 33596050 IPNCHABNVORPIT-LJQANCHMSA-N 440.286 4.562 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)c3ccccc3)cc(C)c2C1=O 41251171 BEEFMBANFVLBHU-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)cc1 41588594 ZNRVKVSCMQHINV-QRVIBDJDSA-N 431.488 4.916 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(I)cc1 41641706 OOAVWUWMNBHTDE-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE CC(C)(C)c1ccc(C(=O)/N=C(\NCc2ccccn2)Nc2ccc3c(c2)OCO3)cc1 46126846 PUXBVUKBOYKOMY-UHFFFAOYSA-N 430.508 4.506 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1 59891450 XOYCTJWHGNTMHF-WYMPLXKRSA-N 428.484 4.922 30 10 IJEE CC/C(=N/Nc1ccc(S(=O)(=O)N(CC)CC)cn1)c1ccc(Cl)c(Cl)c1 96714039 SBLGJSBMSGTNRF-XLNRJJMWSA-N 429.373 4.645 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 102903924 HMFYRQMFERGMMH-RKKARLDVSA-N 449.890 4.984 30 10 IJEE CCc1cc(=O)[nH]c(N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)n1 169895425 USWZWVCGQVDETH-MYKKPKGFSA-N 447.322 4.673 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2)cc1 169922681 AJRJKITZORIZLC-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953042 GHALIAGPSUTKRH-DEOSSOPVSA-N 442.515 4.853 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)cc1 169968957 JGOIGXFCYABUEU-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(O)c(Cl)c2)s1 170044224 JUUXQAKASWCJSI-KRWDZBQOSA-N 432.929 4.640 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccc(O)c2)cc1 170080270 XTASZRZSWHYJIP-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccc(O)c2)s1 170082841 VRDRTOYBCYWAGA-GOSISDBHSA-N 442.443 4.527 30 10 IJEE Cn1cc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccco2)c2ccccc21 170084639 PFCFPKFKQNBMIG-RUZDIDTESA-N 440.499 4.869 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccco2)c1 170093596 RPDPTEHCJMHVQO-IBGZPJMESA-N 437.835 4.503 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(C)c2)cc1Cl 170139797 BGKVQXNDXQFHGT-NRFANRHFSA-N 443.927 4.660 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)ccc1Cl 170144869 KKNMGIPFILCKOQ-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccs2)cc1 170157734 JAGOGUJJTRHGBB-OAQYLSRUSA-N 435.501 4.938 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccccn2)cc1 170174796 RSLDFFVCAXVTSR-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(O)c(Cl)c1 170220284 KUJVGLLCSVPUDC-LJQANCHMSA-N 441.867 4.789 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 170235262 OZCQSGVWYSSVCC-NRFANRHFSA-N 433.847 4.852 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccc(F)cc2)s1 170238418 RWDORUNUHPJERQ-GOSISDBHSA-N 426.444 4.821 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)ccc1Br 170291959 JHRYHGIULFWISW-GOSISDBHSA-N 442.265 4.722 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@H]2c2ccc(C)o2)cc1 170306244 BGFUKLYFCKXJMG-FQEVSTJZSA-N 425.387 4.658 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2sccc2C)cc1 170316928 FHFNOHBYYFNOBM-FQEVSTJZSA-N 434.517 4.629 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)[C@@H]1c1ccc(O)cc1 170450962 BZZLDPHTBNBBEW-LJQANCHMSA-N 444.459 4.795 30 10 IJEE O=C(c1ccc(O)cc1F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 436824251 GATRFQVXCJEENR-INIZCTEOSA-N 437.311 4.783 30 10 IJEE C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H]1c1ccccc1I 460564205 WPDLSZFAMKWWLO-KRWDZBQOSA-N 434.325 4.678 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 500613770 WXHBMMCXKTXIOL-VXKWHMMOSA-N 447.986 4.790 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508922594 RFJPVOVWADWKMB-UHFFFAOYSA-N 438.535 4.542 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc(OC)c1OC 524635673 HXGATGYDTATUDH-QZTJIDSGSA-N 435.442 4.751 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 526488890 RPYXHSFJUYMXRR-NRFANRHFSA-N 447.834 4.883 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cc(OC)ccc2OC)c1 526518124 WVXIYUZIMDLAIJ-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2cccc(F)c2)c1 526521673 MXGRBFICXHDFKS-QHCPKHFHSA-N 430.435 4.772 30 10 IJEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 549658525 XRSBCGLRSRRNHF-UHFFFAOYSA-N 425.483 4.551 30 10 IJEE C=CCn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CCC2(CCO2)CC1 554611817 FCIBFWDDLOWMFO-UHFFFAOYSA-N 434.515 4.609 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 558983837 CJPLUQSVYFSUSS-RXVVDRJESA-N 446.530 4.934 30 10 IJEE C=CCn1c(CSc2ccccc2OC)nnc1N(C[C@@H]1CCCO1)C1CCCC1 564371667 SSZUKNRHKRKAIM-IBGZPJMESA-N 428.602 4.693 30 10 IJEE C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(NC(=O)Cc2ccccc2F)c1 609252897 IRACOMIMDQEXFP-MRXNPFEDSA-N 448.473 4.578 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1CN(C(=O)OC(C)(C)C)C1 686263858 OMNYXHRTMCWEGB-QHCPKHFHSA-N 431.533 4.586 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)c(C#N)c1 687744828 YGRNRPBSVQYGDV-SANMLTNESA-N 444.462 4.926 30 10 IJEE Brc1ccc(N=C2N[C@@H](C3CCC3)CS2)cc1I 717648151 DKCZBLNQGKIYDC-GFCCVEGCSA-N 437.144 4.546 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](CCNCc2cccc(OCc3ccccc3C#N)c2)C1 731360427 CERQCQKUKRDYOY-FQEVSTJZSA-N 435.568 4.874 30 10 IJEE C#Cc1cccc(N(C)C(=O)C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1 741920302 KGRRUWDSEBAXFM-UHFFFAOYSA-N 425.528 4.958 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nn(CN2CCc3ccc(C(C)=O)cc3CC2)c1=S 755774709 KMJFFJGDPKMRNA-UHFFFAOYSA-N 432.593 4.836 30 10 IJEE O=C1C[C@@H](c2cccnc2)c2c(ccc3c2O/C(=C/c2ccccc2OC(F)F)C3=O)O1 1081780991 YVTDSUHUGWLZKM-JJLFXSABSA-N 435.382 4.740 30 10 IJEE CC(=O)OCCCCSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1083992563 FCEIDFLHEFOZIZ-UHFFFAOYSA-N 433.537 4.993 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3ccccn3)n2)cc1 1084586225 NEUDOONJLACYJP-HNNXBMFYSA-N 437.573 4.670 30 10 IJEE COc1ccc(C2=NNC3=C(C(=O)c4ccccc43)[C@H](c3ccc(OC)c(OC)c3)C2)cc1 1088710681 CDBGQKSAAOJQOD-NRFANRHFSA-N 440.499 4.801 30 10 IJEE COc1ccccc1C1(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCCC1 1125386427 HCIBKDHXSCWAOM-UHFFFAOYSA-N 430.504 4.981 30 10 IJEE COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccccc1 1126820787 DESUWHANJZCVKD-UUOWRZLLSA-N 428.488 4.939 30 10 IJEE COc1cccc(C(=O)c2c(NC(=O)c3cc(C#N)cc(N(C)C)c3)sc3c2CCC3)c1 1127976105 CFGFSOPDQYSBMC-UHFFFAOYSA-N 445.544 4.666 30 10 IJEE C#CCN(C(=O)c1sc(-c2ccc(C)c(C(F)(F)F)c2)nc1C)C1CCN(C)CC1 1134044219 UOJLGVNFQTZJOM-UHFFFAOYSA-N 435.515 4.615 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H](Cc2cc3ccccc3o2)NC(=O)OC(C)(C)C)c1 1136768421 BTKRXGKLHBCYHA-OAQYLSRUSA-N 434.492 4.519 30 10 IJEE CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3cccc(CC#N)c3)cs2)CC1 1140935075 ADOFNMMUVMJPFK-UHFFFAOYSA-N 426.542 4.576 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cccc(O)c1F)c1ccc2c(c1)OCCO2 1144704670 UKNCZCAYIQHHJF-UHFFFAOYSA-N 435.451 4.714 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)NCCc3nc(-c4ccc(Cl)cc4)n[nH]3)c2)cc1 1157368269 GTXUFRWZVOCPPY-UHFFFAOYSA-N 443.894 4.762 30 10 IJEE CCCCN([C@H](C)c1ccc(C)o1)S(=O)(=O)c1cc(Br)cc(C#N)c1 1208586310 FJDRKURZKRNDPE-CQSZACIVSA-N 425.348 4.774 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1)c1ccccc1 1213548953 UAKWXFDEDUCOME-LJQANCHMSA-N 441.471 4.868 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 1215146678 CLTAJFVKVPGRIQ-UHFFFAOYSA-N 449.429 4.702 30 10 IJEE C=CCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(OC)c1 1229051399 LZRYWWQXPXRWCW-FQEVSTJZSA-N 431.577 4.601 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2COc3ccc(Br)cc32)C(F)(F)F)cc1 1272443642 MMBUZMDYUGQALL-DOTOQJQBSA-N 425.200 4.753 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1286322027 XMMMPVJIYSKTIO-NHCUHLMSSA-N 433.600 4.882 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=C)Br 1286422012 UFLQMUYCFGPGCD-HNNXBMFYSA-N 443.414 4.503 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCSC1(C)C 1286455110 BMZNEZBUKOCABJ-FQEVSTJZSA-N 449.599 4.959 30 10 IJEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(Cc1ccco1)Cc1cccs1 1286504342 QDJFTFSCZYSCKL-UHFFFAOYSA-N 449.605 4.876 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1286535641 DRMZNHPEGHLVNC-UHFFFAOYSA-N 442.361 4.538 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC[C@H](COC)C1 1286601750 UKSALDWDBDDBHN-FQEVSTJZSA-N 426.605 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C)s1 1286670536 JVLUJSXCSWTAFF-UHFFFAOYSA-N 427.574 4.614 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCC[C@H]21 1286698786 HDXYPYMDRCUPHX-UYAOXDASSA-N 429.609 4.738 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C)C(C)C 1286752498 XYYRGCRZHBKQKB-FDDCHVKYSA-N 443.586 4.941 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)SC)C1 1286802466 UIWZQFYNBXWPPJ-AEFFLSMTSA-N 432.659 4.808 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(CC)CCCC2)C1 1286804588 LFCKTMDROUPXAS-FQEVSTJZSA-N 440.588 4.714 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1C 1287605030 CGXKOGVHQUZVEH-WIYYLYMNSA-N 447.587 4.583 30 10 IJEE C#CC[C@]1(C(=O)NCCCOc2ccc3ccccc3c2)CCCN1C(=O)OC(C)(C)C 1294943684 YQYOLOIOACMADP-AREMUKBSSA-N 436.552 4.518 30 10 IJEE COc1ccc(C2=NO[C@@H](CNC(=O)c3ccccc3Oc3ccccc3C#N)C2)cc1C 1296889738 DITFGODGWJYDPH-HXUWFJFHSA-N 441.487 4.591 30 10 IJEE CN(CC1CCCCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@@H](F)C1 1298535576 AEIDUUDMKXKFOQ-NHCUHLMSSA-N 425.552 4.883 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 1300347729 DLEBTVBLHLJAJC-FQEVSTJZSA-N 426.927 4.616 30 10 IJEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCc1ccc(Cl)s1 1300530608 BLVYTASWBWGTEK-HNNXBMFYSA-N 429.977 4.573 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1300596103 LKTDVEYHQYWAIA-MSNJVRRCSA-N 448.586 4.917 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCOC(F)(F)F)CC1 1301106136 QMZYKTMJJBVMAC-OAHLLOKOSA-N 442.457 4.886 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCCN(C(=O)CC2CCCC2)CC1)c1ccccc1 1301165778 KLJUQYLEDLTKGO-XMMPIXPASA-N 449.643 4.819 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(F)(F)CC2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1301167589 CIUAIWYAIQQZBA-REWPJTCUSA-N 446.542 4.526 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1301238912 HJOSBRUTFHSJED-MSOLQXFVSA-N 447.649 4.716 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C(F)(F)F 1301294077 LXWFVYVEJAZBIN-OAHLLOKOSA-N 445.530 4.603 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ncccc1Cl 1301396844 GYTDYHVJNZECQL-IEBWSBKVSA-N 445.995 4.503 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1301436282 YXZZIOUUEHLVGL-INIZCTEOSA-N 447.402 4.823 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(c2ccccc2)CCOCC1 1302151002 FRBLRPPRUZVGOM-RUZDIDTESA-N 435.616 4.745 30 10 IJEE C=CCn1c(SCC(=O)N(CC)CC(=C)C)nc2sc(-c3ccccc3)cc2c1=O 1307283630 KVIOGODGUFNIHF-UHFFFAOYSA-N 439.606 4.828 30 10 IJEE C=CCOc1c(Cl)cc(CN(C)C[C@@H](O)c2cccc(Br)c2)cc1OC 1308817108 NLWGJIPDIYRUGK-GOSISDBHSA-N 440.765 4.841 30 10 IJEE C=CCCCCCCCNC(=O)Nc1nccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1311335131 YEYNKUGMGZCAHX-GOSISDBHSA-N 431.581 4.849 30 10 IJEE COc1ccc([C@H](C)CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1315368594 HCNWHAHSMCSSQH-OPJGWUQDSA-N 437.588 4.852 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCN1CCCC 1358879266 NUYLIGQKUDGHQU-MJGOQNOKSA-N 431.987 4.850 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](CC)Oc1cccc(F)c1 1358899371 LZBGISBMEKOBJW-RGMHLJPOSA-N 442.579 4.651 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1Cc2ccccc2O[C@H](C)C1 1358918183 MVQUWYCIIRKHNM-KJXAQDMKSA-N 436.600 4.788 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](OC)[C@H](C)CC 1358971514 YMOGUESJXGDDDF-SJLPKXTDSA-N 441.000 4.947 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1359069579 PULPFCLFSLUADY-RQBNJVACSA-N 441.620 4.573 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccsc1 1359102971 IAQCHRSFBJUQMT-NFBKMPQASA-N 438.597 4.845 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C[C@@H]1CCCO1 1359145271 KWLDPWCFPWDAIV-INIZCTEOSA-N 439.785 4.774 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1359213550 YZSHYARONFVUPL-JOCHJYFZSA-N 434.588 4.881 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCCS1 1359233552 JHUPDRYSGOFVFM-AWEZNQCLSA-N 425.371 4.755 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1359236001 VURWRNZFVXTEEJ-YJBOKZPZSA-N 438.494 4.953 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1c(C)noc1C 1359261242 BAKJWATYVRSGFC-HRAATJIYSA-N 439.535 4.870 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@](C)(OC)C1 1359284812 OJQLVPSTSXUXOV-GOSISDBHSA-N 425.758 4.552 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N(C)Cc1cc(Br)cs1 1359289302 TZLMKTSTFWIYAW-UHFFFAOYSA-N 433.375 4.812 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 1435690702 CULUTLDEAJAJNY-VLIAUNLRSA-N 434.330 4.529 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c(OC)c1 1436153143 JEBDOBXRGMQMDC-GOSISDBHSA-N 449.378 4.895 30 10 IJEE COc1ccccc1-c1nnc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)s1 1436377796 DGRWMJHPRNMIOH-UHFFFAOYSA-N 442.500 4.917 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 1437616100 HNWCMBZUBJCCAF-NQIIRXRSSA-N 433.581 4.673 30 10 IJEE CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CC(C)(C)C#N)c2)cc1 1450148356 DASOJMIEUXCEKN-UHFFFAOYSA-N 441.597 4.760 30 10 IJEE C#C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@@H]1CCCO1 1459987587 PQXGCMRRXONHFU-VXKWHMMOSA-N 436.353 4.572 30 10 IJEE CC(C)(C)c1cc(NC(=O)COc2cccc3cccnc23)n(-c2ccc(C#N)cc2)n1 1459988890 CPZRWGDBPCXEBA-UHFFFAOYSA-N 425.492 4.607 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1F 1460905546 FWGXJFXKQURYGD-UHFFFAOYSA-N 426.245 4.577 30 10 IJEE C#CCOc1cccc(Cl)c1CNc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F 1461408836 ZDOPRXYCZQKQGQ-QGZVFWFLSA-N 443.950 4.916 30 10 IJEE C=CCC1(NC(=O)Nc2cc(C(=O)OC(C)(C)C)ccc2Br)CCOCC1 1466113484 LZQMQDRLWLDSLZ-UHFFFAOYSA-N 439.350 4.651 30 10 IJEE C=CCN(C(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1)[C@H](C)COC 1466454824 PDAMKUARRLDQQC-CQSZACIVSA-N 438.391 4.860 30 10 IJEE C=CCC(C)(C)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 1468397672 KWQXYRRXQHOZHS-UHFFFAOYSA-N 438.952 4.920 30 10 IJEE COC(=O)c1cccc(-c2nc(COc3cc(Br)ccc3C#N)cs2)c1 1473041733 BEHXMJOXFDKJJS-UHFFFAOYSA-N 429.295 4.810 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@](CC)(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1 1478897118 VHEXRQIDOKGSRG-XMSQKQJNSA-N 449.389 4.667 30 10 IJEE CN(C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1)c1cccs1 1503379903 FBHHVGWYTGIOTN-SQJMNOBHSA-N 448.640 4.558 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN(C)[C@@H](C)CC 1507517006 FBFAFGYDDHPPFB-ZWKOTPCHSA-N 436.629 4.565 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1507585800 NDKOXYATASZWBD-SFHVURJKSA-N 442.489 4.724 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)C[C@H]1CC 1507748509 ODFYHFOWKHFHRA-CRAIPNDOSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C(C)C 1507795692 JMHCEBUQKGMDGI-MJGOQNOKSA-N 433.394 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(CC(C)C)C(C)C 1507798782 XECXEHNENCUTOP-OFNKIYASSA-N 442.604 4.814 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1507916915 HIMTVPFKYCMTFA-OYRHEFFESA-N 445.696 4.795 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1507947119 VPUDUUDOPZOCNE-LJQANCHMSA-N 439.995 4.690 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCOc1ccc(OC)cc1 1507973124 SPXIMFKLZANCEI-KRWDZBQOSA-N 438.597 4.841 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1CCCN1CCCCCC1=O 1508004934 MDFBLHXGYRJEFV-UHFFFAOYSA-N 427.568 4.526 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCSCC(F)(F)F 1508007205 VRMMACNKNHBJGF-UHFFFAOYSA-N 441.548 4.833 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1508018007 ZEKWCLAAIRGJDZ-QFIPXVFZSA-N 449.599 4.528 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)c1ccc2c(c1)OCO2 1508018092 MHVJQKCJURINDW-UHFFFAOYSA-N 431.540 4.533 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)s1 1508034538 XHMZOQIQOGXPIQ-INIZCTEOSA-N 432.977 4.763 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CC(C)(C)N[C@@H](C)c2ccccc2)C1 1508127081 WNTQRWYDEAMYDG-REWPJTCUSA-N 437.632 4.846 30 10 IJEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1508165781 XXHFBWCHMUVSGC-JOCHJYFZSA-N 435.597 4.533 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(OCC(F)(F)F)cc1 1509187689 FCNHVKNJJVNMSX-NRFANRHFSA-N 435.494 4.596 30 10 IJEE C=CCN(C(=O)c1cc(C)cc(Br)c1F)[C@H](Cc1ccccc1)C(=O)OCC 1516155570 KJAAMSBPVAZHGY-LJQANCHMSA-N 448.332 4.699 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(C)C)C1 1516358605 CESUZMSXFYPRKQ-NRFANRHFSA-N 430.556 4.531 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)cc1OC 1519394498 XAFRALHDURYUIG-WEVVVXLNSA-N 433.258 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1OCc1ccc(Br)cc1 1519750461 SIITUTXHXQBEGX-UTKZUKDTSA-N 430.342 4.739 30 10 IJEE C#C[C@@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc(Br)cc1 1525054523 ODKLANCMYNWMQH-MRXNPFEDSA-N 448.242 4.758 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 1528735166 CJJNMHXCHCPKSM-UHFFFAOYSA-N 431.293 4.971 30 10 IJEE Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1537312152 BLCDHFTWFWZSNN-AWEZNQCLSA-N 435.833 4.839 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](SC)C(C)(C)C 1539036198 YZVVPVQBFANPCI-FGTMMUONSA-N 449.665 4.586 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H](C)c1nccs1 1539115456 CKXCGFOKUQQZQD-KRWDZBQOSA-N 432.553 4.710 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1COCCO1 1539650834 WLWMEIDKBAHWRJ-AZUAARDMSA-N 448.995 4.506 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2C)ccc1Cl 1539680168 CEMAJBCXZQNPAM-HKUYNNGSSA-N 447.000 4.887 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1539892049 QDPWFWPZVSQAJK-OFNKIYASSA-N 426.992 4.906 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1539911104 WTVUKPNFSAJNNM-HSZRJFAPSA-N 444.627 4.901 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1539990695 OWIHCAXTWQUBLO-QFIPXVFZSA-N 442.604 4.960 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OC(C)(C)C)CC1 1540028160 KIIOIJUDZIAILR-UHFFFAOYSA-N 449.599 4.870 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1540047715 KPYYSUUWURKUMC-QGZVFWFLSA-N 439.535 4.800 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1Cc2ccccc2[C@H]1C)C(C)C 1540151043 CAMPWRODEPAZOC-HYBUGGRVSA-N 443.599 4.515 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[C@H]1CC 1540881602 NSNKTHMNNWFPST-DYESRHJHSA-N 437.613 4.872 30 10 IJEE CC(C)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCCCC2)C1 1541376050 HTOQSBHJNSAQBF-HSZRJFAPSA-N 434.632 4.954 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCCCS2)c1 1542165514 DLBCHBMTAGRSOT-JOCHJYFZSA-N 439.629 4.890 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 1542277042 QOXGYINCAHODRC-SFHVURJKSA-N 429.904 4.773 30 10 IJEE C=CCNc1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)s1 1543074034 ZASJTZBNBXMLQO-GOSISDBHSA-N 444.601 4.860 30 10 IJEE C[C@H]1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)C[C@H](C)O1 1543650960 FCDBUMFVMNAQBK-HOTGVXAUSA-N 447.505 4.799 30 10 IJEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@@H](C)O1 1544712576 BECXLSLCOPCVFC-ZIFCJYIRSA-N 429.515 4.646 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1556781999 UCERGJDVBVCSHL-NPPFBWRTSA-N 449.389 4.713 30 10 IJEE C=CC1(CC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CN(C(=O)OC(C)(C)C)C1 1557819222 XVVBCALPWHDMBH-UHFFFAOYSA-N 437.584 4.566 30 10 IJEE C#CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOc2ccc(Br)cc21 1559544474 YCXSGMZRUWKQHR-GOSISDBHSA-N 437.240 4.595 30 10 IJEE C=CCCCCCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 1564727458 SGKKPCCZVMJGSU-DLBZAZTESA-N 435.531 4.858 30 10 IJEE C=CC1(CC(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)CN(C(=O)OC(C)(C)C)C1 1567696931 PMULEKROEFJITO-OAHLLOKOSA-N 438.952 4.505 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CC)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C 1569920954 YZWVNTBGAXSISW-MHECFPHRSA-N 432.564 4.715 30 10 IJEE CC(C)c1ccc(C[C@H]2CCN(C(=O)COc3cccc(Br)c3C#N)C2)cc1 1584339069 HKIYRZCVXKFCFK-GOSISDBHSA-N 441.369 4.914 30 10 IJEE C=CC[C@]1(C(=O)OCc2ccc(-c3ccc(C)nn3)cc2)CCCN1C(=O)OC(C)(C)C 1586062921 CUUIEEBXGCZDRT-RUZDIDTESA-N 437.540 4.841 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)CSC 1586452235 WUZKSMBPZOHKSB-UZUQRXQVSA-N 438.593 4.728 30 10 IJEE C#CCOc1ccc(CNC(=O)CCc2cc(C(F)(F)F)ccc2Br)cc1 1587713021 CLYGDHPLBALUIZ-UHFFFAOYSA-N 440.259 4.729 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1c(C)nn(C)c1C 1589600088 VKEDMXNICPVQEB-SFHVURJKSA-N 442.995 4.873 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H]2CC(F)(F)CO2)CC1 1594128208 NVIVJYXNPFYGNV-LJQANCHMSA-N 446.542 4.870 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 1594491787 KSIWLAALQCUFOS-HXUWFJFHSA-N 445.558 4.727 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCSC1(C)C 1595239856 VLKMOLZWSPPHOE-FQEVSTJZSA-N 434.613 4.502 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C)n(-c2ccn(C)n2)c1C 1611098826 DQQAXKXCTSJUJP-UHFFFAOYSA-N 445.336 4.558 30 10 IJEE Cc1sc2nc(CS[C@H](C)C(=O)N(O)Cc3ccccc3Cl)nc(O)c2c1C 1611650731 IQRZZUOSPVDPHU-GFCCVEGCSA-N 437.974 4.707 30 10 IJEE C=CCN1/C(=N/c2c(C)n(C)n(-c3ccccc3)c2=O)S[C@@H](C)[C@H]1c1ccc(OC)cc1 1614415124 ULEIPDQPNQABFA-UTWYVWQDSA-N 448.592 4.845 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1 1616817902 LNXLUZCKGSTWRA-ADKRDUOOSA-N 425.579 4.752 30 10 IJEE COC(=O)C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccc(Cl)c1 1618420342 FIOIXBIDPQHFHB-HSZRJFAPSA-N 448.906 4.825 30 10 IJEE CC[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1621881660 GIIPQOKDUHEKPN-ICSRJNTNSA-N 433.371 4.668 30 10 IJEE C=CCC[C@H](NS(=O)(=O)Cc1ccc(C(=O)OC)cc1)c1ccc(C(F)(F)F)cc1 1621949307 KFKLTPZRFXKTAA-IBGZPJMESA-N 441.471 4.619 30 10 IJEE C=CC[C@H]1N(S(=O)(=O)c2cnc3sc(C(=O)OCC)c(C)c3c2)CCCC1(C)C 1622084314 UYMXYWQFESRJMI-QGZVFWFLSA-N 436.599 4.537 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C 1624519635 LLUZKQZDUXDODW-NZQKXSOJSA-N 443.632 4.927 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)c1 1625343458 WDGWPDDQMRBWGK-UHFFFAOYSA-N 438.574 4.983 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1)c1ccccc1 1631035609 MLRYNFDRZGQXQT-LEWJYISDSA-N 425.598 4.808 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2CC3(CCC3)C2)c1 1631893071 GMCXHWHPCZVGNM-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE C#CCOc1ccccc1NC(=O)c1cc(C)c(Cl)cc1I 1634340111 QFDULQMGXBMHPN-UHFFFAOYSA-N 425.653 4.517 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(Cl)cc1F 1636373890 YKXHUVNJGKPFRX-HXUWFJFHSA-N 445.922 4.678 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1F 1636572349 ZTNNVFQAZGKKJU-PIGZYNQJSA-N 433.270 4.917 30 10 IJEE C#CCN(CC(=O)N1CCC[C@]1(C)Cc1ccc(C(C)(C)C)cc1)C(=O)OC(C)(C)C 1640016557 ANPHJGPCIQBURN-AREMUKBSSA-N 426.601 4.778 30 10 IJEE C=CCn1c(SCCCOCCc2ccccc2)nc2sc3c(c2c1=O)CCC3 1640684015 ODCRPRRCDZPFSB-UHFFFAOYSA-N 426.607 4.874 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 1642542402 XQGZRJCHUOVPOB-JOCHJYFZSA-N 434.561 4.713 30 10 IJEE C#CCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1644504481 OAACSXAKDBQEDC-UHFFFAOYSA-N 447.579 4.627 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 1646216173 LGKUXYYMWXWGBY-KRWDZBQOSA-N 436.936 4.851 30 10 IJEE C=CCn1c(S[C@@H]2CCN(c3ccc(F)cc3)C2=O)nnc1-c1cccc(Cl)c1 1651889278 DIRVMZFPKXHUPY-GOSISDBHSA-N 428.920 4.821 30 10 IJEE Cn1cc(CN2CC(Cc3ccccc3OC(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 1652623004 GRHJHNYAIWXHCF-UHFFFAOYSA-N 426.442 4.532 30 10 IJEE Cc1sc(NC(=O)CN2CCc3c(CC#N)cccc3C2)nc1-c1ccc(Cl)cc1 1654411493 DDGRYVBUXOVSFI-UHFFFAOYSA-N 436.968 4.835 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNCc1cc(Br)cc(Br)c1OCC 1656162537 DURLYFZCTUHLSK-BLLLJJGKSA-N 433.184 4.681 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br 1660552282 ZARKXUDSZWAOLH-WMLDXEAASA-N 439.350 4.507 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1c(OC)cccc1OC(F)(F)F 1666025511 LHMAEDLYHIRVFB-UHFFFAOYSA-N 441.880 4.686 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N(CCO)[C@@H]3C[C@H]4CC[C@H]3C4)cc2Cl)c1 1668176509 HUOBUJVUSAEDTO-XWFZLUIHSA-N 439.943 4.805 30 10 IJEE C[C@H](NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1nc(C(F)(F)F)no1 1670754151 CZJIOVJQQPQTTJ-SSDLBLMSSA-N 434.699 4.545 30 10 IJEE C=CCCCNC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 1672386003 QQRWBPSJXGVGDV-FQEVSTJZSA-N 431.536 4.926 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@H](Cc3ccc4ccccc4c3)C(=O)OC)cc21 1673307529 UZFCTMHDVGQAOR-QFIPXVFZSA-N 442.519 4.529 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-n2nnc3ccccc32)cc1)c1ccc(Br)cc1 1674517483 CAWBNBIIYPSECJ-LJQANCHMSA-N 446.308 4.679 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(F)c(C)c1)c1ccccc1Cl)C1CCN(C)CC1 1678192980 NJCPHUDSKKFJBZ-HSZRJFAPSA-N 427.951 4.616 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1F 1683688430 CPOGKFWTABIYMZ-NQIIRXRSSA-N 449.954 4.586 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 1684644708 MVKXULIXBNMSCP-LEWJYISDSA-N 431.577 4.789 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnc(C)s1 1689876873 LBGRTILWIBCPLH-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](c2ccco2)C1 1689937063 NDYMGBYIMDTNCU-XMMPIXPASA-N 448.567 4.873 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCOc1ccc(F)cc1 1690245989 PSGAGGRLHONNNH-UGKGYDQZSA-N 428.552 4.571 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1c(C)sc(C)c1Br 1690265277 LUEKTUBQOQNBQN-OAHLLOKOSA-N 439.423 4.674 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690354675 XKKUPBNYCNYCFV-DYVFJYSZSA-N 427.401 4.838 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(=C)Cl)CC1 1690402516 FUMUGLVFHFSHQJ-UHFFFAOYSA-N 437.769 4.871 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccnc(SCC)c2)CC1 1690404574 JTZDSJNXZGNMAY-UHFFFAOYSA-N 441.004 4.951 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690422344 MEBGWTCOIPLSLI-DLBZAZTESA-N 444.601 4.551 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690442518 VDJYLXPZUZWADL-YMQHIKHWSA-N 430.637 4.660 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCCC[C@H](SC)C1)c1ccccc1 1690444144 BOAZQOPCHUJBGA-RTWAWAEBSA-N 434.613 4.817 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccn2)CC1)c1ccccc1 1690445397 WWYOAAILPPJTEZ-QHCPKHFHSA-N 444.627 4.948 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(F)(F)F)c1 1690450080 ZLYBFKKYKBAKPU-UHFFFAOYSA-N 432.494 4.928 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690455010 BMXHCVBHWIMYRB-FQEVSTJZSA-N 427.980 4.546 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690465223 VTFGUEMLGFTUPI-IBGZPJMESA-N 440.542 4.850 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1690488627 QWHNFHPKTHPMCQ-IEBWSBKVSA-N 445.633 4.636 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1nccnc1C 1690519535 NDXLEKVNSNYQCY-UHFFFAOYSA-N 434.544 4.776 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCCCC2)CC1 1690651247 DWXQHPKNXGESOL-UHFFFAOYSA-N 437.632 4.795 30 10 IJEE C[C@@H](NC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1692768074 ANYOJQRMRPPDFR-HXUWFJFHSA-N 443.599 4.600 30 10 IJEE N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ccco2)CC1 1698493918 CDHXYYONEIJIIH-UHFFFAOYSA-N 446.338 4.935 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H](C)c1ccco1 1705654489 KDLQXEIIHVZZKW-OAHLLOKOSA-N 445.386 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccc(Cl)s1 1705787104 IBIYGXHWBGHPTK-UHFFFAOYSA-N 436.025 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(CC)CC)CC1 1705788570 FJXLYWDBUWXWTP-UHFFFAOYSA-N 440.592 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705794101 VYEOXTQXGFYIMR-UHFFFAOYSA-N 441.664 4.842 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1)c1ccccc1 1705797306 UDMQVYXEDIFYQO-QFIPXVFZSA-N 449.643 4.722 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCSC1 1705857366 DNSUBTYHZKHMIN-OAQYLSRUSA-N 426.630 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)N1CCC[C@H](C)C1 1705876539 ACUYYAGCYIALKW-QFIPXVFZSA-N 446.643 4.970 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(C)CCCO2)c1C 1706978252 BCSDERCHZZRHOJ-NIJXNBFTSA-N 437.588 4.734 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CN(C)C(C)C)CC1 1722328211 RKCNRWRGWLQZDA-HXUWFJFHSA-N 441.595 4.527 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1722472087 AVFPZVWNTUVJDP-BCQCSXDESA-N 433.644 4.537 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCCN(C(C)(C)C)CC1 1722496927 OWIYCJGECBLQEG-JTHBVZDNSA-N 437.632 4.545 30 10 IJEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CC=CCC1 1722528003 VEIXAQTVNBZUQV-OAQYLSRUSA-N 437.588 4.532 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1722577689 NSVMMDUKLUNOIO-CTNGQTDRSA-N 430.980 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1722591150 FOSRHQBSQQEOJK-QGZVFWFLSA-N 446.521 4.898 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1722610776 CWRKFTNNUDGREJ-QGZVFWFLSA-N 439.501 4.761 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCCN1CCC 1722632800 IULYYFUEAHEGMX-QHCPKHFHSA-N 432.616 4.849 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1CC[C@@H]1COCCO1 1722661434 FMBVQEWXPAZBHZ-OAQYLSRUSA-N 438.597 4.567 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CCC(OC(C)C)CC1 1722732601 QDSNCQQHGCYKDY-UHFFFAOYSA-N 436.556 4.853 30 10 IJEE Cc1noc(C)c1[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1726420273 GHIVHSYLNMQPLT-MRXNPFEDSA-N 436.535 4.547 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)C[C@@H]1CC=CCC1 1740582278 MGJOODSEYJGINJ-QGZVFWFLSA-N 443.389 4.922 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](CC(C)C)C1 1740590204 GEXFNDVGQLTGOA-FQEVSTJZSA-N 443.636 4.678 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1oc(CCC)nc1C 1740600561 OWLPCAVIPOOREZ-UHFFFAOYSA-N 446.580 4.744 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCc1nc2c(s1)CCCC2 1740611609 LNMVYSXZUNICFH-UHFFFAOYSA-N 440.016 4.560 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)c1ccccn1 1740682264 PHBCWCCJGYGYGE-UHFFFAOYSA-N 445.611 4.701 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)c1ccccc1 1740713381 KGWNVWOZQUMVHF-QGZVFWFLSA-N 425.989 4.600 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1740745283 QVOJKILHAFUYMS-INIZCTEOSA-N 435.410 4.938 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCCC1 1740753131 FWYHPFCVKDUCCM-VQIMIIECSA-N 448.409 4.643 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1740787904 LYHXPXHENWRFHZ-PZJWPPBQSA-N 425.533 4.605 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1740789437 KUIYFXSIHBFOJF-QFIPXVFZSA-N 441.620 4.532 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2)C1 1740857915 DWHUAMZCPYUFDW-SFTDATJTSA-N 441.595 4.978 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1sccc1Br 1740894631 BEEUOZRUHFUQBI-UHFFFAOYSA-N 440.370 4.988 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC[C@@H](C)N1CCCCC1 1740916079 CHXNAAWWKKPMQV-OAQYLSRUSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1c(CC)noc1C 1740917879 AFUSJEJZMUPZMD-UHFFFAOYSA-N 428.540 4.748 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCC(C)C)C1CC1 1740956855 SGRMEWAYPDEHMN-UHFFFAOYSA-N 436.387 4.569 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC(F)(F)C2)C1 1740975158 MOJUHHKRFNACGI-TZIWHRDSSA-N 441.526 4.814 30 10 IJEE CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1745249158 GQNITXGVWIAENW-XZDHIHRUSA-N 439.604 4.805 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C2CC2)C1 1749027567 ODVCBFCPDWWLQD-GOSISDBHSA-N 445.430 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@H](CCC)OC 1749061532 YLDCYKSQTSTECU-HRAATJIYSA-N 431.378 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1749119916 YHSKPQRTTOJSPN-SJSRKZJXSA-N 443.680 4.864 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 1749135857 IQOWAZPTRQUAIS-ATPAEWGQSA-N 448.970 4.676 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C)[C@H]1CC 1749216579 QLKXMCUKLOJOAO-LSDHHAIUSA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 1749293520 PPEGJTUGOIGABQ-PKOBYXMFSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C[C@H](C)CC 1749364522 SYIPNCPWJVVFIE-GOSISDBHSA-N 436.604 4.667 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCCCCC[C@@H]21 1749448939 GEDMMTZLJSHGHB-KNQAVFIVSA-N 440.588 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1749576371 KCECIGJAVWGPHG-ZJSXRUAMSA-N 438.616 4.897 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1Cc1cc(F)ccc1OC 1749590669 CZRFFIODSKCLHV-JOCHJYFZSA-N 440.519 4.544 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1749613714 GLLKCOVUCWGWRA-CTNGQTDRSA-N 437.632 4.950 30 10 IJEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N 1751091073 FDMVMVNFKVOIDX-YGKZAACZSA-N 427.618 4.565 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](OC)C(C)(C)C 1760122364 KKTBCJMZLCYKSS-KNQAVFIVSA-N 426.605 4.808 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CCc1cn2ccccc2n1 1760241964 PRDNCFUAVJFAHO-UHFFFAOYSA-N 444.558 4.536 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC1CCCCC1 1760285423 GANLDFDVPZLAEY-UHFFFAOYSA-N 426.630 4.857 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C)C1 1760317305 DNOLMVCOCMXYRN-HQRMLTQVSA-N 432.515 4.764 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nccn2C(F)F)CC1 1760381796 ANVAEYREONFAFO-HNNXBMFYSA-N 448.905 4.868 30 10 IJEE C=CC1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](C)OC)CC1 1760404379 CJRFGKQOFMPOEX-GOSISDBHSA-N 432.996 4.689 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760413706 QUQDRRRDVGSMAD-LJQANCHMSA-N 449.565 4.852 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760430125 ZUWSWDRMHNGILK-NQIIRXRSSA-N 430.980 4.872 30 10 IJEE C=CCCCn1c(CC2CC2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1760443140 ONAGYZYLIDIYMG-UHFFFAOYSA-N 431.625 4.670 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)C(C)(C)C 1760486654 VPPPDQZKOVWZNG-HXUWFJFHSA-N 425.602 4.964 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC1(CC)CCC1 1760502453 ZPPXDTNYSWRTLQ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(CC)C1 1760560579 YYRWFRZMRZMEQC-LJQANCHMSA-N 438.439 4.592 30 10 IJEE C=CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)CC1 1760562162 YYPNUZVJEAGBIN-UHFFFAOYSA-N 441.689 4.940 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC=C(C(F)(F)F)CC1 1760562187 ZTIQBCKGFRZXNR-UHFFFAOYSA-N 429.899 4.612 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)n1 1762468484 AFOGAIWFEKVNRB-SFHVURJKSA-N 431.588 4.593 30 10 IJEE CCc1cnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)c2ccco2)s1 1764563231 DSQHPOJHMHXVAM-INIZCTEOSA-N 432.553 4.869 30 10 IJEE COCCC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC#N)CC2)CCC1 1769579276 AAUSZIDZZXRCCH-UHFFFAOYSA-N 427.980 4.935 30 10 IJEE CCN(C(=O)c1oc2c(c1C)C(=NNC(N)=S)CC(C)(C)C2)c1cccc2ccccc12 1772729180 IHLJAJVOJSIETL-UHFFFAOYSA-N 448.592 4.918 30 10 IJEE CC(C)c1ccc(C(=O)N2CCOc3cc(NC(=O)c4cccc(C#N)c4)ccc32)cc1 1858472425 LTBFZNJJGKGZEU-UHFFFAOYSA-N 425.488 4.973 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)[C@@H](C)CC 1860944344 SSTPHNGMQUGPER-FDDCHVKYSA-N 444.595 4.847 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Br 1861020994 OGFBSNMPWGMPFB-SFHVURJKSA-N 443.451 4.777 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(O)c1 1862430752 QWQGQLWKLSBPEJ-NRFANRHFSA-N 443.927 4.831 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862431369 FZRAOGOBEHHUIQ-QFIPXVFZSA-N 449.890 4.572 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2ccc(C(C)C)cc2)ccc1F 1862504590 XUIKOCHXUDURBK-HSZRJFAPSA-N 439.527 4.998 30 10 IJEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c(O)c1 1862591516 IJMFBLTVIDTPAP-VGOFRKELSA-N 439.508 4.741 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(C(C)C)cc1 1862640893 UPRACYVWTJTZJX-QFIPXVFZSA-N 441.499 4.573 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCCC2)[C@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 1862746194 APAFJVUDXQONOI-NRFANRHFSA-N 436.464 4.602 30 10 IJEE CC(C)c1nc(Nc2cccc(C#N)c2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868220933 CBPSCJUSKFOHIS-NRFANRHFSA-N 432.572 4.633 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C1(c2ccc(N)cc2)CCCCC1)c1ccccc1 1868929978 STFYZOQAPSWAJT-XMMPIXPASA-N 431.580 4.529 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870300592 LYWYEWYQQXNYMC-UHFFFAOYSA-N 443.572 4.701 30 10 IJEE CCCN(CCC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1 1870348852 OPSMIDJHZDYEIX-UHFFFAOYSA-N 429.564 4.969 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(F)cc2)cc1=O 1870836215 JDMUIHANLQIMAR-UHFFFAOYSA-N 426.536 4.915 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CNc1cccc(Cl)c1 1870972350 VCIXEDPWHBJRDF-UHFFFAOYSA-N 448.007 4.989 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1ccc(CC)cc1 1871251285 WKEZDOSOYFFQEO-UHFFFAOYSA-N 445.563 4.900 30 10 IJEE Cc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 1871453581 GTBZGUAWKKOYHE-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE CCCCCCCCN=c1nc(N2CCCC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871498576 VSQRQPBISJGGMM-UHFFFAOYSA-N 436.526 4.850 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 1872065415 WGYOADOLCNAZSM-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(C)cc1 1872172634 QVZFSCJIMUNWJU-FQEVSTJZSA-N 444.597 4.768 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccccc1 1872526373 ALIJJVTXJPZZRW-QHCPKHFHSA-N 428.598 4.924 30 10 IJEE N#C[C@H](C(=O)c1cccc(Br)c1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872774580 VWCZBPBGLZGUKR-OAHLLOKOSA-N 441.306 4.834 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2cccnc2)C1=O 1873269139 MDUDVFOTIQVNCT-UHFFFAOYSA-N 436.512 4.851 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(F)cc(F)c2)C1=O 1873317269 VLFVRXNIQTXKAP-OAHLLOKOSA-N 429.426 4.790 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1Cl 1874273293 DTFXRGPKSWEBAJ-IMQYADFFSA-N 431.993 4.596 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(N(CC)CC)cc1 1874294910 AEJIFNMSUHBIPX-XQNSMLJCSA-N 438.557 4.618 30 10 IJEE Oc1cccc(/C=N/n2c(COc3ccccc3)nnc2SCc2cccc(F)c2)c1 1874385088 XQYXDKRSKXZMJC-AFUMVMLFSA-N 434.496 4.876 30 10 IJEE CC(C)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874515014 MUGKIKNPJVJHLF-UFFVCSGVSA-N 431.905 4.843 30 10 IJEE CCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874526514 SCJVNVNQEAUYQD-BUVRLJJBSA-N 427.618 4.561 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O 1875116015 GUVPFQBFNKPVGZ-RUDMXATFSA-N 434.242 4.577 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1CCC(N(C)C)CC1)n2CCC 1875205124 LEMVFQXLOZZNGF-UHFFFAOYSA-N 442.652 4.780 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(C#N)CCC(C)CC1 1901483956 UKWJKORBFGKCPO-YQXBWWBASA-N 445.563 4.892 30 10 IJEE CC[C@H](S)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1938594300 OJYPVBBJPYNRHT-QMMMGPOBSA-N 431.975 4.621 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](CNc2cc(Br)c(C#N)cc2F)(C2CC2)C1 1965602879 OUELXDOLMKZQHY-FQEVSTJZSA-N 438.341 4.909 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCC#N)CC1CC1 1984695549 RSWFMKINEKZEFU-RUZDIDTESA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CC[C@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(F)c2)C1 2009499219 HVIPYMWTALJAFJ-HSZRJFAPSA-N 431.508 4.860 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1(C)C 2068175462 KTFNMRYFASYHSH-BKMJKUGQSA-N 446.632 4.668 30 10 IJEE CCc1ccc([C@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)cc1 2078983367 YLAVGOZBWYDYKO-MNPVBQOISA-N 445.251 4.795 30 10 IJEE Oc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)n4)c(C(F)(F)F)nn13)CCCCC2 2081371953 IHOXEBAQRURLIB-UHFFFAOYSA-N 434.315 4.943 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1c1ccc(C#N)c(Br)c1F 2133660690 HIQFVHTYZMLAEV-LBPRGKRZSA-N 426.330 4.684 30 10 IJEE CC(C)(C)OC(=O)N1Cc2sc(=Nc3cc(Br)cc(C#N)c3)[nH]c2C1(C)C 2162323719 JVLNENPCRMRFFJ-UHFFFAOYSA-N 449.374 4.929 30 10 IJEE C[C@H]1SC(=NCc2cc(Br)ccc2Br)N[C@H]1C(F)(F)F 2195328468 YBYQFLLGDKXSLA-LHLIQPBNSA-N 432.103 4.723 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](N)C#Cc1ccc(Cl)cc1 2212501710 RYTUZMYLBNJODF-YADHBBJMSA-N 428.960 4.519 30 10 IJEE C=CCC(C)(C)OC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2229126162 CFEYBBJNRCNJPP-MRXNPFEDSA-N 426.351 4.783 30 10 IJEE O[C@@H](C#Cc1cccc(Cl)c1)c1ccc(I)c(Br)c1 2231079890 NNZFPFNVAPFRAO-HNNXBMFYSA-N 447.497 4.792 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 2235747404 POUUKHXFIATTOS-OXJNMPFZSA-N 435.406 4.672 30 10 IJEE C#CC[C@H](C[C@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237404557 IDHCZAYONLUGCU-HOJAQTOUSA-N 435.406 4.652 30 10 IJEE CCN[C@@H](C#Cc1ccccc1F)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255272064 ZKBMWAHEPCHUOE-XZOQPEGZSA-N 440.559 4.656 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCCN(C(=O)OC(C)(C)C)C[C@@H]1C 2262207840 VEFZCTQCMHYFSK-UQBPGWFLSA-N 447.572 4.657 30 10 IJEE C=CCCC1([C@@H](O)c2c(F)cc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266232837 GWNAQPYPFBINCC-INIZCTEOSA-N 432.305 4.964 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2267010028 QEKPNYSEPHUCND-UHFFFAOYSA-N 445.290 4.833 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c2ccccc21 2267557414 OBGYOIACLKCSHT-CALCHBBNSA-N 442.365 4.647 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2296272719 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C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCCCC2 2305402677 IANOLXUGAHJFNC-RUZDIDTESA-N 428.573 4.842 30 10 IJEE C=C(C)CSc1nncn1N=Cc1cc(Br)c(OCCCC)c(OC)c1 2321281229 QTFIKMQRPYGXNO-UHFFFAOYSA-N 439.379 4.779 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2323076023 QKKYBEFVIOTSGP-UHFFFAOYSA-N 430.456 4.994 30 10 IJEE C=CCc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCC(=O)OCCC 2323379324 JFNDBECJOIXVBG-UHFFFAOYSA-N 439.464 4.560 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4cccc(OC(C)=O)c4)cc(C)c3C2=O)c1 2323896901 PGNSPYALQUXMSR-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1C)OC(=Cc1cccc(Br)c1)C2=O 2324651605 MQKKGYMZGLYMRS-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE COc1ccc(OCCOc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)cc1 2324675406 MPYVTNZSQLFQNP-UHFFFAOYSA-N 448.471 4.786 30 10 IJEE CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1OC(C)C 2328475047 GKKSPZNLUQXGGK-UHFFFAOYSA-N 425.514 4.559 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CC3)c(Br)c2)cc1OC 2330718822 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4.695 30 10 IJEE CCOc1ccc2ccccc2c1/C=N\Nc1cnn(-c2ccc(OC)cc2)c(=O)c1Cl 169895213 VCAOAKUJNSXERP-WGARJPEWSA-N 448.910 4.892 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2OC)cc1 169942760 HPURWQJANOPONC-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)cc1 169944839 NBURRTPWOAOLFD-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@H]2c2cccc(C)c2)c1 169966207 OBEVUXHUPZSERB-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 170077725 FNTGLROYCRQALC-XMMPIXPASA-N 448.482 4.823 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(O)c2)c1 170079188 ZLOZEJYUMDLGNW-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccco2)c1 170098398 APELHLRQBGQQIA-NRFANRHFSA-N 443.459 4.646 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OC)c1 170121224 VXVPJLWYTKDZBG-HJPURHCSSA-N 435.520 4.787 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(N(CC)CC)cc1 170138850 OFOJWKCIQVZVKE-HSZRJFAPSA-N 436.552 4.838 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2ccccn2)cc1C 170175312 RANVALUVGCFLDC-HSZRJFAPSA-N 444.487 4.504 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccncc1 170198130 CIYQLEZQQMHZPO-FQEVSTJZSA-N 434.517 4.547 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(OCC)c1 170218559 GGUFZNQHPGPSGX-LJQANCHMSA-N 428.554 4.927 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cc(C)c(OC)cc3C)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 170266157 FFRVLMJEFZBSCD-HYBUGGRVSA-N 449.547 4.632 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccc(C)o1 170305223 QTSYOUGJOATLKL-JOCHJYFZSA-N 428.444 4.560 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@@H]1c1cccc(Oc2ccccc2)c1 170457286 DXEIXMNTEOPNJH-QFIPXVFZSA-N 436.552 4.741 30 10 IJEE Cc1nc(COc2cccc(/C=C\C(=O)N[C@H](C#N)c3ccc(F)cc3F)c2)cs1 208413475 DXCIKPCHILMJLX-HUCIYCNJSA-N 425.460 4.703 30 10 IJEE COc1cc(C=Nn2c(COc3ccccc3)n[nH]c2=S)ccc1OCc1ccccc1 254865496 DUDLOGRAQBFVAV-UHFFFAOYSA-N 446.532 4.989 30 10 IJEE N#Cc1cc(F)c(Nc2ccc(F)cc2I)cc1Br 311496564 OKOGQLUEOAWQDN-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)ccc1Br)NCC 406917064 QUASWWLLBIVOQA-ROUUACIJSA-N 429.374 4.968 30 10 IJEE COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C#N)ccn2)c(OC)c1 436003611 AYYXJGPWTVHSPO-UHFFFAOYSA-N 426.476 4.690 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3s2)CC1 436362277 LNUSYMMWTVDEBT-IRLDBZIGSA-N 430.577 4.811 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 474175546 KQMKGJXPDSPYCS-SJLPKXTDSA-N 439.396 4.853 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3-c3cc(F)c(F)c(F)c3)cc2C1=O 474742564 KPFQLWTVVOWPGY-UHFFFAOYSA-N 436.389 4.805 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508792348 NOIDMXNADFMKCO-UHFFFAOYSA-N 443.551 4.579 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(Cn2cccn2)CC1 508858843 SXSXUNBGMKPVIJ-UHFFFAOYSA-N 434.588 4.588 30 10 IJEE CC(C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 535324363 FCNQWFOLWSMAQE-QFIPXVFZSA-N 444.318 4.852 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1OC 540066341 SBOCWSHPQXHWGI-NQIIRXRSSA-N 432.358 4.890 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccc3c(c2F)CCNC3=O)c1 551374890 UKYKEPQTOYMILH-UHFFFAOYSA-N 435.842 4.681 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(C(=O)OC)oc1C 604510796 KLXCCVQZIDXXKH-UHFFFAOYSA-N 433.917 4.677 30 10 IJEE N#Cc1cc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 687755561 IQDHQJDOHYKDHN-HSZRJFAPSA-N 430.435 4.752 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698369811 ALNOCJGRYKWYAK-RUZDIDTESA-N 435.524 4.729 30 10 IJEE COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc(OC)c(C#N)c2)cc1 746872058 GBWDVNZWWAZWHU-UHFFFAOYSA-N 439.515 4.973 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)c1ccc(F)cc1 812945591 FAPZJDGPKDHLRP-QFIPXVFZSA-N 438.480 4.518 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)c1nc(C2(C(=O)OC(C)(C)C)CCC2)no1 904831304 KVRAIVFZFKEWHA-ZDUSSCGKSA-N 427.929 4.541 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)c1 1125907294 FMDZHWNTIJJWBX-UHFFFAOYSA-N 434.421 4.940 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 1126141602 NDTDCKNFVZVEIH-HXUWFJFHSA-N 432.630 4.767 30 10 IJEE C=CCn1c(SCC(=O)NCc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 1127353570 LOWUJAGDGWTUTN-UHFFFAOYSA-N 426.973 4.810 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cc(Cl)cc(Br)c1 1129492820 DEPDXKDOJJSLOB-CQSZACIVSA-N 430.730 4.628 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C 1138258235 CWDBPHURKIMIFM-IBGZPJMESA-N 439.556 4.950 30 10 IJEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(CC)CC)c1 1140010702 UJKIOFYMPFKJNV-JOCHJYFZSA-N 447.000 4.501 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3c(Br)cccc3C2)cc1OC 1143054875 AUFPYXSRZISYTE-NTMALXAHSA-N 428.326 4.621 30 10 IJEE C#C[C@H](CO)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1159769540 FAXDTEQMUXWKFT-QVRDSWERSA-N 443.672 4.533 30 10 IJEE C#CC[C@H](CO)NC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 1160145681 GQYRKQIXRCUJDU-RUZDIDTESA-N 429.585 4.602 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)c1 1209215076 XDCLHNNYDZMLQD-UHFFFAOYSA-N 433.920 4.660 30 10 IJEE COC(=O)[C@]1(C)CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 1214721679 HITDQXWYYJYHOK-WMZHIEFXSA-N 425.916 4.802 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)NCC2(Sc3ccccc3)CCCC2)CC1 1226687392 HKHXLVSEUFYYIT-UHFFFAOYSA-N 438.572 4.634 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1)c1ccc(Br)cc1 1252459298 QCBITKPDKQTQJR-WMZOPIPTSA-N 429.362 4.559 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC2c3ccccc3Oc3ccccc32)cc1 1264608741 ADZLDULOXAHBCM-UHFFFAOYSA-N 448.544 4.760 30 10 IJEE C#CCOc1ccc(C(=O)N(CCOCCCC)c2cccc(Br)c2)cc1 1265738392 VAAIHRWAVRENJD-UHFFFAOYSA-N 430.342 4.925 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)[C@H](Oc2ccc(Br)cc2F)c2ccccc2)C1 1277138552 XWEDQOQLLFMSCR-IIBYNOLFSA-N 430.317 4.970 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCS[C@H](C)C1 1286317476 RIABTOYDXRGZRB-CYBMUJFWSA-N 425.421 4.514 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCC(F)(F)C1 1286458393 SLXWOMOCAUYHSN-UXHICEINSA-N 446.517 4.777 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(CC)CC(=C)C 1286498548 JIYZHPBPNPECQQ-UHFFFAOYSA-N 425.421 4.538 30 10 IJEE C=C(Br)Cn1c(COc2cccc(C)c2)nnc1N(CC1CC1)C1CCC1 1286541910 FRIHIFXIKMGTTH-UHFFFAOYSA-N 431.378 4.843 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(F)cc2F)CC1 1286638422 AZEKLAUWJYIPEU-UHFFFAOYSA-N 434.288 4.519 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCN(C)CCOC)CC1 1286638537 DZRACQIPECSMJQ-UHFFFAOYSA-N 446.020 4.548 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1286648446 DPYJXSDKJIQTOM-AVRDEDQJSA-N 430.980 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CC=CCC1 1286671164 SDMXUEVSUYMDQM-LJQANCHMSA-N 446.599 4.587 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@](C)(OC)C1 1286707898 LPPXUKGTNVQRLL-OAQYLSRUSA-N 439.387 4.850 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1cccnc1Oc1cccc(F)c1 1286753992 OFQNKUFVLXIUBM-UHFFFAOYSA-N 444.514 4.837 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCC1(F)F 1286755706 JLSRQCSFLFVBOW-SFHVURJKSA-N 432.515 4.966 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1c(F)cccc1F 1286769902 BIGLTEIDFSEFNA-UHFFFAOYSA-N 436.304 4.537 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1286771032 UAHGLDPXJPUWCK-NHCUHLMSSA-N 441.595 4.692 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)c2ncc(C)s2)C1 1286801793 IDJALEFCNBPXMJ-BEFAXECRSA-N 444.004 4.948 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 1299876005 VKGVLWPCDWWHFI-WMLDXEAASA-N 427.463 4.710 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1300347358 DFOWWWYSUDKVNL-HDICACEKSA-N 427.390 4.912 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1300363430 YSGMJIMIZXQOSL-PZJWPPBQSA-N 443.636 4.869 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)Cc1cccs1 1300572186 QVRYUGRJHXREJJ-HXUWFJFHSA-N 439.588 4.897 30 10 IJEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ccc(OC(C)(C)C)nc1 1300621738 VAFWCMAENKFJIE-UHFFFAOYSA-N 442.567 4.517 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1c1ccco1 1300851663 YCIBSYAJUBYJJY-KRWDZBQOSA-N 449.299 4.990 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301195246 WGVNYFUWPOWBKI-UHFFFAOYSA-N 442.658 4.687 30 10 IJEE C=CCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1301214534 CDBSMXPLJRNESM-GOSISDBHSA-N 438.601 4.638 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc2c(n1)CCCC2 1301273933 YRIFGIXHEPLVPY-FQEVSTJZSA-N 431.584 4.979 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCc1ccnc(C(C)(C)C)n1)C1CC1 1301317568 SXHBGCWLVMCSAP-UHFFFAOYSA-N 441.583 4.692 30 10 IJEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCc2sccc2C1 1303262267 CWKAOSGTTMJANT-UHFFFAOYSA-N 434.613 4.561 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3)C(=O)OC 1307268168 UDVMFFOMTABZNR-HOCLYGCPSA-N 434.627 4.839 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 1307512111 AGLZULUJVSTREO-DENIHFKCSA-N 444.362 4.904 30 10 IJEE CC[C@@H](Cc1ccccc1)N(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1307573433 HEHIGUJHDOQDSQ-QFIPXVFZSA-N 432.568 4.900 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2c(C)csc2C)c1 1309007527 RAABBDYWMHANHI-UHFFFAOYSA-N 428.531 4.928 30 10 IJEE C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)C1 1309708218 JJSIAHWJVATKIM-CQSZACIVSA-N 440.334 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCCSc1ccccc1Br 1312045975 MOOHEDUWCQAJKG-YJBOKZPZSA-N 427.408 4.602 30 10 IJEE Cn1cc(CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c2ccc(F)cc21 1312055215 DCQVYEMMCLNVQS-UHFFFAOYSA-N 432.524 4.959 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)c1ccccc1 1312130257 LXFMAKOLFYLGEY-XUZZJYLKSA-N 432.907 4.874 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2c(F)ccc(Br)c2C1)c1ccc(Cl)cc1F 1312941360 FNZSOFMQOFBEMC-GOSISDBHSA-N 439.687 4.823 30 10 IJEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1 1314287020 AHNALNAMLMSGDA-UHFFFAOYSA-N 439.604 4.806 30 10 IJEE COCCC1(Cn2c(Cc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CCCCC1 1315986141 BFDQGTZTRRQGOP-LJQANCHMSA-N 427.568 4.591 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 1337635179 CTRKWNPFMBEGLU-MRXNPFEDSA-N 431.414 4.634 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCc3c(Br)cccc32)cc1OC 1358262047 RCWOTEJBJZIPFT-YRVHBARZSA-N 428.326 4.839 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ncccc1C 1358878120 RDCWITMIWZFKDY-AWEZNQCLSA-N 444.764 4.571 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N(C)OC1CCCC1 1358916536 ONXAYZWMNNCORK-UHFFFAOYSA-N 447.377 4.734 30 10 IJEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCc1csc(C(C)(C)C)n1 1359013132 MEBGNNOGRITZGP-UHFFFAOYSA-N 437.613 4.622 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1Cc1nnc(C(C)(C)C)s1 1359014685 SNWWPDDOMCKWPQ-UHFFFAOYSA-N 440.642 4.536 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1359116256 FATGUTGNRUHTQM-DZRGJMJISA-N 444.620 4.717 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359117810 UNVPNTVUDIGDHZ-PKOBYXMFSA-N 430.980 4.779 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(F)(F)CC1 1359127858 CFFMWNYBGDTUFH-UHFFFAOYSA-N 441.320 4.536 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCOC(C)(C)C)CC1 1359162501 SMZPWTVKZNSVFP-UHFFFAOYSA-N 428.577 4.712 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)c2nc(C)cs2)CC1 1359180601 LEMSSULRSWEFNA-AWEZNQCLSA-N 428.631 4.605 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1Cc1ccccc1N1CCOCC1 1359196813 UWKYMLNMKJVAIE-UHFFFAOYSA-N 425.621 4.643 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359214925 PNPYRISGPAWFMP-ZCNNSNEGSA-N 447.624 4.616 30 10 IJEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1359221828 ORYUGGVGOOOXFA-SFHVURJKSA-N 429.634 4.714 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CC1(OC)CCC(C)CC1 1359236797 ZPGWDOGMVNRBGV-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1Cc1csc(C)c1 1359256432 FNEBJIPALSNCKX-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1Cc1ccccc1 1359344639 FFVHKAZFXPILGS-NRFANRHFSA-N 439.654 4.765 30 10 IJEE C#CCN(C(=O)c1oc2ccccc2c1CSc1nnc(C)s1)c1nccs1 1435398565 ADVWSCAIZMDGIB-UHFFFAOYSA-N 426.548 4.622 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1450618865 BUQPIGOOYYRMKF-RJGXRXQPSA-N 438.568 4.827 30 10 IJEE CC(=O)c1ccc(Nc2ccccc2C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cc1 1465942113 BJCQZHZKCVBURB-UHFFFAOYSA-N 435.487 4.825 30 10 IJEE CC(C)Cc1ccc([C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2CC2)cc1 1468449887 BRKCLIWGAZZSMY-LOSJGSFVSA-N 444.579 4.703 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1470787463 XBANGTQCMXCZRA-COPCDDAFSA-N 427.589 4.783 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1OC 1474157209 OIRYJPZRALPBJG-IIBYNOLFSA-N 446.950 4.894 30 10 IJEE Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C 1474881874 HCKNIVSWGBKHPH-PLMTUMEDSA-N 440.565 4.611 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CCCC1 1475832147 XCILVJUBNRGPPW-UHFFFAOYSA-N 427.570 4.912 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 1478313026 XIWAOEPVCBDNGC-FOIQADDNSA-N 433.321 4.509 30 10 IJEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)SC)C1 1502966551 FDOZJSFPDPXTRM-FQEVSTJZSA-N 427.618 4.744 30 10 IJEE COCCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1504738269 CRJRFLJZRZYQQX-GOSISDBHSA-N 443.567 4.750 30 10 IJEE CS[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1505177318 DHUNAUPVOFLWGY-GPMSIDNRSA-N 433.597 4.931 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cc(C(CC)CC)no1 1507686630 DWERDYAVXPODDB-UHFFFAOYSA-N 444.539 5.000 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1507767994 KFONGZUAMUYDLF-UQBPGWFLSA-N 441.620 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCCc1ccc(OC)c(OCC)c1 1507773685 VHUYIZGKAVPNQX-AREMUKBSSA-N 438.616 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 1507812345 WPJHNWXQMFDXFC-YDHSSHFGSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(NC(=O)C2CCC2)c1 1507819626 UHPUARFKUUDYNL-JOCHJYFZSA-N 437.588 4.709 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1507897979 UJDXQVWXRCCXOM-WMZOPIPTSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1507921412 URMYRQOLDRYDOA-YKSBVNFPSA-N 445.007 4.569 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1507935109 LAVAKDNZSLWLLO-JOCHJYFZSA-N 426.609 4.606 30 10 IJEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCSc2c([nH]c3ccccc23)C1 1507958011 NQLQAVWJSPKHGN-KRWDZBQOSA-N 425.602 4.978 30 10 IJEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507972080 SIQNWNHPIDCCTH-TZIWHRDSSA-N 439.604 4.611 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1508013513 FJPAQCWZZIROKN-XMMPIXPASA-N 442.611 4.821 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1ccco1 1508015230 OEMWZHHKYMBWLP-OSPHWJPCSA-N 438.597 4.811 30 10 IJEE C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC1(F)CCC1 1508022386 XXCZMNUHYZBKOV-UHFFFAOYSA-N 447.599 4.853 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCCSC)C1 1508120114 YXRYZYXRRDIXAZ-FUHWJXTLSA-N 432.659 4.666 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC2(F)CCC2)C1 1508132166 RQNBMPVPRJAGSZ-OAQYLSRUSA-N 428.552 4.538 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](CC(C)C)N(C)C 1513217104 CWFWZUQBHRREOW-ZEQRLZLVSA-N 436.648 4.926 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)c1 1521562612 NPTXRZAYLIBWGL-UHFFFAOYSA-N 433.817 4.868 30 10 IJEE COc1cccc2[nH]cc(CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C#N)cc3)c12 1525745129 BJJBHPOWXRBFDE-UHFFFAOYSA-N 427.508 4.713 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(OCc3ccccn3)c2)CCCN1C(=O)OC(C)(C)C 1526751303 YYDBTYAILNXULT-VWLOTQADSA-N 437.540 4.945 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)OCc2cc(Br)cnc2Cl)cc1OC 1527133880 TYYDBRYUNCKJTA-FNORWQNLSA-N 438.705 4.828 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)s1 1529569474 HZXHCAZOCDAUGX-UHFFFAOYSA-N 438.018 4.959 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CC2(C)C)c1 1533647152 RPLZPZRHXZVCEE-GOSISDBHSA-N 447.000 4.839 30 10 IJEE C=C/C=C\CCNC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 1533948141 IMTHOOLOZBPILG-WAYWQWQTSA-N 430.957 4.583 30 10 IJEE C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@H](Cc1ccccc1)C(=O)OCC 1537317067 KVPAYUWEDMQJLG-WIYYLYMNSA-N 429.944 4.605 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCCO[C@H]1C(C)C 1539005223 YAVRIYFYYYRHLH-NOXFTYBFSA-N 433.556 4.509 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCOC2(CCCCCC2)C1 1539504925 QVJHFOGPFHLOTD-UHFFFAOYSA-N 438.641 4.804 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1 1539558490 ISLYMRSTXRJCSU-XMMPIXPASA-N 440.035 4.779 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC(F)(F)Br 1539649650 ALQBFWMFMUCJKL-ZDUSSCGKSA-N 447.299 4.947 30 10 IJEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CCC(CN(C)CCCC)CC1)c1ccccc1 1539771113 TYZBCSDJSXGXBM-XMMPIXPASA-N 437.632 4.791 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](CC)N2CCCC2)CC1 1539859948 YXDDBXWLRFLZOT-FQEVSTJZSA-N 441.645 4.610 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 1539874471 NALZVEHMWNSYCK-IHPCNDPISA-N 431.625 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1539912105 CQEQUVXZKQLNNQ-QZTJIDSGSA-N 442.608 4.615 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1C(C)(C)C)c1ccccc1 1539949124 VJTNNZHZAYSPLK-IRLDBZIGSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCO1 1540121820 WZILRAQGLPLRTP-QFIPXVFZSA-N 438.597 4.701 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1540885815 PITXTEZJUSJXJY-XGHQBKJUSA-N 430.980 4.583 30 10 IJEE CS(=O)(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)ccc1F 1542607141 IAJBTMDMUWMZTC-UHFFFAOYSA-N 444.871 4.799 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1543920796 FVBNZQWSVSEZPK-PKOBYXMFSA-N 429.561 4.957 30 10 IJEE CN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1N(C)CCCC1(C)C 1554192268 CKPOJKCLQCXDGF-OAQYLSRUSA-N 434.613 4.635 30 10 IJEE C#CCN(C(=O)c1cc(Cl)nc(C(C)(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370469 OFLRFYSNBAPCQG-UHFFFAOYSA-N 433.980 4.507 30 10 IJEE COC(=O)c1ccc(N(C)Cc2ccccc2Oc2ccc(F)c(Cl)c2)c(C#N)n1 1559268973 BANRBBMCWURFIS-UHFFFAOYSA-N 425.847 4.961 30 10 IJEE COc1ccc([C@H]2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccc(F)cc3)C2)cc1 1559516751 BRJLFOMDKFYMFB-FQEVSTJZSA-N 446.526 4.542 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1564913535 NPDDHROGABEMCC-KMDXXIMOSA-N 449.595 4.876 30 10 IJEE C#C[C@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CCCO1 1567815025 YUFWMGBTDSTCAU-OALUTQOASA-N 432.307 4.548 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 1570279479 NEPPFOWETZPRKI-HSZRJFAPSA-N 434.561 4.713 30 10 IJEE C#CC1CCN(C(=O)c2ccccc2C(=O)c2ccc(OCCC)c(OCCC)c2)CC1 1570659180 CEZLVFXFFPFLBG-UHFFFAOYSA-N 433.548 4.981 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3c(Br)ccc(F)c3C2)cc1OC 1584533041 ZTFTZJYONXHQJX-UITAMQMPSA-N 446.316 4.760 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1584869414 UEWILJUJKMSOLE-XUZZJYLKSA-N 447.579 4.907 30 10 IJEE C#Cc1cccc(CNC(=O)C(F)(F)c2ccc(OC(F)(F)F)c(Br)c2)c1 1585016249 WHRPISOQJPJWIR-UHFFFAOYSA-N 448.185 4.737 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(C)OCCc2sccc21 1587574229 DQMYUMQGGVZOTD-NYHFZMIOSA-N 426.973 4.606 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1587773413 IJAMONXELBFCIR-UHFFFAOYSA-N 427.474 4.723 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)c1ncc(C)s1 1588020149 GRICKEGNYSZEID-CQSZACIVSA-N 432.018 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(F)(F)F)CC1 1589505851 OSIDTMUMEGDQPN-HKUYNNGSSA-N 438.494 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC(=O)NC(C)(C)C 1589614646 AOSHDDZINBIJDW-UHFFFAOYSA-N 425.621 4.950 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1593677583 DGYWINWFSWFNQY-XJKSGUPXSA-N 446.926 4.956 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C(C)C)N1CCCC1 1594857912 TXPWWZBKFUJNDQ-WIYYLYMNSA-N 432.012 4.814 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(Cc2ccc(F)cc2)CC1 1595009615 IWJCJOODFRZGMT-NHCUHLMSSA-N 426.580 4.981 30 10 IJEE C=CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(Cl)c(OCC)c(OC)c1)C1CC1 1595055078 YOPIAKJNWOHXDC-LJQANCHMSA-N 446.979 4.784 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CCCC2)n1CC(F)(F)Br 1595261295 PSIADXMVTKJXSR-UHFFFAOYSA-N 443.336 4.827 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC=CCC2)C1 1595745507 SDIFHWOKNPLZST-GHTZIAJQSA-N 428.964 4.648 30 10 IJEE C=C1CCC(C(=O)N2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CC1 1596467858 ZYCWFTMWNXDNIN-MRXNPFEDSA-N 448.489 4.707 30 10 IJEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC2CCCCCC2)C1 1614193761 FQRZQIYUMULSDQ-HXUWFJFHSA-N 437.588 4.704 30 10 IJEE CC[C@@H](Oc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3O)N(CC)C2=O)cc1)C(=O)O 1614236455 YWQACMVOPZYELC-JKIXGSDPSA-N 440.521 4.567 30 10 IJEE C#CCN(CC(=O)Nc1ccc(C)c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1615536046 PFQAGELXLWDLFA-IBGZPJMESA-N 447.760 4.808 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1C#N 1618358960 DXIDZQFJJZOBRF-KBXCAEBGSA-N 428.355 4.601 30 10 IJEE Cc1c(S(=O)(=O)N[C@H](c2cccc(F)c2)c2ccccn2)sc2ccc(C#N)cc12 1621982446 IELRTTWHYLXIPD-OAQYLSRUSA-N 437.521 4.683 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 1625285672 JSXVTOMMVZRTDI-UHFFFAOYSA-N 431.558 4.959 30 10 IJEE N#Cc1cc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)ccc1Oc1ccccc1 1625775277 FDOVZAJQRJWOSQ-SFHVURJKSA-N 432.524 4.653 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)CCCN1C(=O)OC(C)(C)C 1626339809 HWCWWICALPTQHM-VWLOTQADSA-N 446.538 4.539 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1630813031 CLYVSOVZKKHIFB-FTXHTYHOSA-N 447.366 4.880 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 1632007614 DISUYIUMCOBPDN-HXUWFJFHSA-N 432.992 4.965 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(Cc3ccccc3)ccc2O)CCCN1C(=O)OC(C)(C)C 1633104153 MUVRYPLGDKGCNA-AREMUKBSSA-N 434.536 4.715 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCOc4c3ccc(Cl)c4Cl)n[nH]2)c1C 1634833859 BXCJMYPWAIWZHS-OAHLLOKOSA-N 446.338 4.636 30 10 IJEE C#CCN(C(=O)/C=C/c1ccccc1O[C@H](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1638330702 AXJZQQJSLBTOIK-FBRRREGBSA-N 440.584 4.738 30 10 IJEE C=CCn1c(SC[C@@H](COC)c2ccc(Br)cc2)nnc1-c1cccnc1 1640790762 ILLHWWHKIZIPJG-QGZVFWFLSA-N 445.386 4.811 30 10 IJEE C=CCC[C@H](NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)C(=O)OCC 1640863226 GGHFSWIGNLHIBW-GUMMAJAESA-N 430.504 4.942 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C(=O)OCC)c1ccc(Br)cc1F 1641557993 OPNBSGKJRQCFCX-HXUWFJFHSA-N 436.321 4.889 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)Cc1cn(C)c2ccccc12 1642271832 KOJDHADQDUAXDA-IEBWSBKVSA-N 433.980 4.652 30 10 IJEE C=CCn1c(SCCCN2CCN(c3ccccc3)CC2)nnc1-c1cccc(C)c1 1651594051 OQLLFAMWIUPWTC-UHFFFAOYSA-N 433.625 4.744 30 10 IJEE C#CCC1(NC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)CCC1 1652398466 PNLRCEYJFBZXBY-UHFFFAOYSA-N 425.554 4.757 30 10 IJEE C=CCN(CC=C)[C@@H](CNCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(C)C 1655261551 MKIYBFOFCWVLLI-DEOSSOPVSA-N 427.633 4.768 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCC[C@@H]2COC(=O)N2CCCCC2)cc1OC 1658038931 AMMLKXGUDRYBNE-LJQANCHMSA-N 436.980 4.890 30 10 IJEE C[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 1658157874 BSCJIVZBYURYCF-ORAYPTAESA-N 428.355 4.828 30 10 IJEE COc1cccc2c1CC[C@H]2NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1669880944 IAYVZBQIWLXPAA-HXUWFJFHSA-N 429.524 4.859 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1673915460 GLFIGJQCEHWVHI-WIQPIVSASA-N 434.540 4.929 30 10 IJEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)[C@@H]1CCCc2ccccc21 1676684676 RQRFTORHAUHJDA-JOCHJYFZSA-N 439.600 4.936 30 10 IJEE C#CC[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)C1 1680845630 GEWCSAJHYSHVQH-OAHLLOKOSA-N 426.314 4.579 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 1681942367 LKPUKYWHLMFMCC-HJOGWXRNSA-N 431.580 4.651 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1 1683106247 CKCMNMGQAXXEPV-OAQYLSRUSA-N 439.625 4.962 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc(Br)cc1 1686645446 JQGCVSXZEOQPAD-LEWJYISDSA-N 439.353 4.517 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 1687036798 VSARNUYGFCTIKU-YKSBVNFPSA-N 445.051 4.771 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[C@H]1CCOC1 1689827948 KDUYZIXFGLQIDS-OTWHNJEPSA-N 430.980 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1690024030 PNFYRLAXPQEGBJ-RBUKOAKNSA-N 439.485 4.717 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C(C)C)N1CCCC1 1690037168 OMMCUGNPKWVJND-VWLOTQADSA-N 445.655 4.826 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1690089513 CPWFZEJUSDIING-PMACEKPBSA-N 437.607 4.691 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1690155273 IHPIDJCMDDAZBU-CQSZACIVSA-N 443.564 4.627 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1690352693 LHEAGVOIJOZSSD-PBHICJAKSA-N 437.769 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC2(C)CC2)CC1 1690402538 GOBYZKUVVLTIDX-UHFFFAOYSA-N 426.561 4.564 30 10 IJEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1690486616 OBCPMEHKLQVUCQ-LJQANCHMSA-N 438.551 4.865 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCc1nc(C(C)(C)C)cs1 1690533405 HIPRAPUVOZRGGF-UHFFFAOYSA-N 429.565 4.615 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1Cc1cccc(Br)n1 1690565460 KHIIZEPPTDQCMK-UHFFFAOYSA-N 440.389 4.875 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1N(C)CCCC1(C)C 1690590419 YQHQNQDHDFZAQW-QFIPXVFZSA-N 430.600 4.792 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Br)s2)n1CCOC 1690602422 PNCREKUDBWQZHL-UHFFFAOYSA-N 447.402 4.651 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1690611723 XNWKXZZSXVXLRL-FCHUYYIVSA-N 426.605 4.691 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](C)C1 1690685023 UONCTHCOVUKDEK-MHXAIHSWSA-N 438.616 4.902 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(C)(C)N1CCCCC1 1705479276 KIAIMVOUNSJCSR-FQEVSTJZSA-N 430.600 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC=CO1 1705711936 HJNNEVCNPYGHGS-FQEVSTJZSA-N 426.561 4.836 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705723284 JMLLBAJQTBXDQK-FCHUYYIVSA-N 442.604 4.957 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C1[C@H]2CCC[C@H]12 1705748060 ASCHMRAXRXPYNS-STQMWFEESA-N 425.733 4.834 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CCSC(F)(F)F)CC1 1705772597 VWLWMCPXBOCSDD-UHFFFAOYSA-N 444.548 4.988 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC2(CCC2)C[C@H]1CC)c1ccccc1 1705795126 CWMWOSLCGUDGKJ-FGZHOGPDSA-N 435.616 4.935 30 10 IJEE C=CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](COCC)C1)c1ccccc1 1705797160 QUWSNBNVQGKONX-JRFVFWCSSA-N 438.616 4.785 30 10 IJEE C=CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CC)C1)c1ccccc1 1705797771 CBIQNTHHVRVFQM-RBBKRZOGSA-N 437.613 4.609 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705804402 ZMPHYUREMLXXRP-SFHVURJKSA-N 440.592 4.780 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(NC(=O)CCC)CC1 1705812416 ZDBHMFDUQLWHIR-UHFFFAOYSA-N 446.599 4.653 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(N(CC)CC)CC1 1705813357 FBCICXBBYHZXMD-UHFFFAOYSA-N 432.012 4.884 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC(F)(F)C1 1705864546 FOBRPETUKREFJD-MJGOQNOKSA-N 434.506 4.939 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCc1csc(C)n1 1705879010 JWGWWOWLNAHMQU-UHFFFAOYSA-N 444.564 4.653 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722338131 MCBPOEQEZSFLMZ-YADHBBJMSA-N 436.600 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(C)s1 1722391372 LOZIBTJBDHISPU-NRFANRHFSA-N 432.593 4.916 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC(C)(C)C)CC1 1722479521 HCKHHJDLAPOQQT-UHFFFAOYSA-N 444.377 4.509 30 10 IJEE C=C(Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CN(C)CCC)C1)c1ccccc1 1722540391 CXRNXYDNCUJBRD-QFIPXVFZSA-N 430.600 4.530 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(Br)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722546091 GHUXDHMPMZYTCL-STQMWFEESA-N 427.799 4.790 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1722587252 IGFZXCCPOAWHBY-FZEVHQGJSA-N 437.613 4.877 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722589889 YPNJMSIWMMNYOR-QGZVFWFLSA-N 427.559 4.686 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cccc(OC)c1 1722591720 LKRQZCNCIIWPCY-UHFFFAOYSA-N 444.583 4.764 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(COC)c1 1722635432 QKKVPCSDEDEMPG-UHFFFAOYSA-N 433.375 4.586 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1722642046 NQDGECZFMSEKOC-UHFFFAOYSA-N 435.528 4.927 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1722645211 DUMGBHPYAAMUQB-HZPDHXFCSA-N 431.378 4.678 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)S[C@H](C)C1 1722707801 ZHQJHHFPMWLKSJ-RTBURBONSA-N 435.597 4.592 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCO[C@@H](C)C1 1729998008 GCSVULCWARSFSK-HKARXFIJSA-N 443.979 4.552 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCN1CCCCCC1 1740543819 XAOGQTPWXQQUSM-QFIPXVFZSA-N 437.632 4.704 30 10 IJEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N(Cc1cccs1)Cc1cccs1 1740592102 ZGAPJHLCIRMNNO-GOSISDBHSA-N 426.611 4.915 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](c1cccnc1)C(C)C 1740610057 XXZMGDZOIXHJKD-NRFANRHFSA-N 426.524 4.504 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CC[C@@H](F)C1 1740673051 FLFQKNJFBBQIOX-AZUAARDMSA-N 432.971 4.849 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1740721483 KQSOOMAQYSDOQF-SFHVURJKSA-N 430.593 4.768 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccccc1 1740722173 BCRQBJIVFBFKCV-NHCUHLMSSA-N 426.630 4.590 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCO[C@@H]1C(=C)C 1740728286 UCSNMJXUPWGZPC-LERMDLETSA-N 428.939 4.711 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCO[C@H]1C(C)C 1740733499 GQVGAUVWJLDITH-LJGDZFJRSA-N 436.600 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1CC(=C)Cl 1740734061 PUJVXNKDFDIGCV-JOCHJYFZSA-N 433.383 4.996 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOC(C)C)CC1 1740819932 KDPYBFMNXAOIAA-UHFFFAOYSA-N 433.394 4.988 30 10 IJEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCC(C(F)(F)F)CC2)CC1 1740829751 ITFWSFMYJPESOW-JEVOJNTISA-N 442.526 4.527 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740848430 KCSFIAZTBVAPSU-OAQYLSRUSA-N 426.609 4.722 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCc3ccc(Cl)cc3C2)nnc1[C@]1(OCC)CCOC1 1740852943 VMTUAUGEBWIWGK-DEOSSOPVSA-N 445.007 4.749 30 10 IJEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1740870005 GTRHJEQECLYVRO-DEOSSOPVSA-N 440.613 4.642 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C)(C#N)CC1 1740883630 AXJLLEMETTWEPD-UHFFFAOYSA-N 439.629 4.998 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(Cl)nc1 1740893826 YEWKBVZPZQKAML-UHFFFAOYSA-N 436.716 4.566 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@H](C)C1 1740914136 MMLDBYICLBHTQC-NZQKXSOJSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCC[C@H](C)C1 1740914846 LOFDJLRHMJEXHB-BHDDXSALSA-N 434.632 4.976 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCC2(CC2)C1)C(C)C 1740927041 PXFYVZPTEYYRSO-VXKWHMMOSA-N 427.637 4.599 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@H]1CC 1740995660 TXKUJFCDSMPDTG-YLJYHZDGSA-N 427.618 4.691 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)CCS1 1745056134 FDGBEGXYFXSDMU-TZIWHRDSSA-N 439.629 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)CCOC 1748647712 SDZGUTDKJCAJEQ-IBGZPJMESA-N 433.600 4.873 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@](C)(OC)CC1 1748743765 KQVZRGGVYRGBMU-OAQYLSRUSA-N 431.378 4.516 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)S[C@H](C)C1 1749141121 WYQFIWCONIABJS-AUYGFBLUSA-N 448.677 4.508 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCC1(C)C 1749398966 XHIXMSCFLBIBRS-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1749408769 LHBUDZUKQVYZIP-HOIFWPIMSA-N 446.542 4.760 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(C)C)C1 1749430353 RZSCXRPWKPPRFV-WOJBJXKFSA-N 431.625 4.841 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCc1ncc(CC)s1)C1CC1 1749521049 GABHWRIDILPXHF-UHFFFAOYSA-N 429.540 4.564 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1749762039 MPHYCLAAQOWGPQ-UHFFFAOYSA-N 435.041 4.621 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)CC#N)C1 1750830692 GFPWIWQCVINIHH-FPOVZHCZSA-N 443.039 4.629 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(SCC)c1 1760107118 QXFFVKSYGIMUJW-CQSZACIVSA-N 429.952 4.751 30 10 IJEE C#CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760134007 XDDHTETZTNCWAU-TZIWHRDSSA-N 440.588 4.548 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 1760308804 RXDYHVXXISECIV-ZDUSSCGKSA-N 439.348 4.928 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1oc(CCC)nc1C 1760340154 MASSQRIGBQUKPN-WIYYLYMNSA-N 429.609 4.896 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ncc(CC)s2)CC1 1760385114 MURAIQMAXISTGZ-UHFFFAOYSA-N 439.585 4.576 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](C)SC)CC1 1760399330 JAHXCOIUFJTOQT-KRWDZBQOSA-N 430.618 4.895 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1760406472 FABVIEXBTDBKDM-UHFFFAOYSA-N 439.604 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)C1CC1 1760412954 VEFNTUKSRMONKS-UHFFFAOYSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOC2(CCC2)C1 1760423018 WMXUTIPYXOQHAD-UHFFFAOYSA-N 449.368 4.962 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1)C1CC1 1760473903 IUODYDLQNHNTEX-MJGOQNOKSA-N 438.469 4.948 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC(=C)Br 1760483183 HUQFHHOTWMHYGM-UHFFFAOYSA-N 428.309 4.580 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)N(CC)CC)C1 1760539440 OHULQZGRANXGLO-REWPJTCUSA-N 439.648 4.754 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1760564562 BOOSWXQORVITEE-OAHLLOKOSA-N 425.023 4.758 30 10 IJEE CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](F)C2)cc1OC 1766273790 CNMYQYBKGPCQIN-QUCCMNQESA-N 441.551 4.621 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)C1 1768377887 AGMROMWLUXHBNP-FGZHOGPDSA-N 439.629 4.888 30 10 IJEE CC[C@@H](Oc1cccc(/C=C2/SC(=Nc3ccc(C)cc3O)N(CC)C2=O)c1)C(=O)O 1772762205 CFCOUKDOPOBQGN-YSZGWNRASA-N 440.521 4.567 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)Cc3c(F)cccc3F)C2)c1C#N 1860666735 VWLDAOBXBXXCKM-AWEZNQCLSA-N 445.535 4.615 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(OC)c(O)c1 1862381771 AQVVGVRNVAGZJL-SFHVURJKSA-N 436.291 4.696 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cccs2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862413377 AXWFEQVBOZCKDW-HXUWFJFHSA-N 443.446 4.986 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1862438668 PBBVYSOGQUKGLO-KRWDZBQOSA-N 432.701 4.867 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2C(C)C)cc(Cl)c1O 1862453147 SNBVSDVZZAYEIA-QGZVFWFLSA-N 436.291 4.694 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1862479092 YKYOKYQLQIUZTE-FQEVSTJZSA-N 434.473 4.743 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCOC(C)C)c1 1862479644 MJUHLHFPHRAAMS-HSZRJFAPSA-N 437.536 4.787 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2C)cc1 1862626080 TXQOKYZDUUJKQT-DEOSSOPVSA-N 441.483 4.811 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1Cl 1862626372 BXYBVOXBYIKBIB-FQEVSTJZSA-N 427.884 4.693 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCCCO)[C@@H]1c1ccc(F)cc1)c1cccc2ccccc12 1862650288 RXZGLWOCNWLVRD-HSZRJFAPSA-N 433.479 4.720 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 1862687174 HIZXPAZWLZIEQD-QFIPXVFZSA-N 441.499 4.619 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccc(F)cc2)c1 1862702522 FKVAZVKMSINKRG-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2ccccc2)cc1 1862748179 ZNBRZZIZHJDTGB-QHCPKHFHSA-N 442.471 4.724 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1c(F)cccc1Cl 1862757321 XCEIMORMRCMURZ-ADLMAVQZSA-N 432.835 4.764 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(F)cc3Cl)C2=O)c1 1862772808 HKDGNSFYRCEEIK-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862968440 NKTTYRNGXVINEU-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cc(F)ccc3F)C2=O)c1 1863132098 HJYHMGXRUXDUGK-UHFFFAOYSA-N 440.409 4.714 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCN(C)C)=C(c2ccccc2F)C1=O 1863645004 WFDADRYCPJYZMH-UHFFFAOYSA-N 431.596 4.588 30 10 IJEE CC(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 1866967940 GLTMKDWXMCEWDL-JWQCQUIFSA-N 443.522 4.803 30 10 IJEE CC(C)c1nc(Nc2ccccc2C#N)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868238999 ZWHANLOXVWKFSC-JOCHJYFZSA-N 430.531 4.847 30 10 IJEE N#Cc1ccc(COc2cn(CCCCc3ccccc3)c(CN3CCCC3)cc2=O)cc1 1870348477 ZRUAGDBOISPSPR-UHFFFAOYSA-N 441.575 4.918 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(C)cc2)cn1Cc1ccccc1 1870772981 QJSNJTKPJDDNNT-UHFFFAOYSA-N 444.575 4.837 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)Nc3ccc4c(c3)OCO4)c2C)C1=O 1871429627 LPKWBGZDSZXZTL-KSEXSDGBSA-N 443.455 4.666 30 10 IJEE Cc1ccc(NC(=O)CCOc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871432044 ZZSJGJFETVVYOP-UCQKPKSFSA-N 444.443 4.927 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OCC(=O)Nc4ccc(C)c(C)c4)ccc3C2=O)c1 1871459643 VNYNWDMGUNDRGR-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871672149 VPOCRYHGSMMLGO-UHFFFAOYSA-N 442.611 4.689 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872353318 MDZVEDRMQKLQIY-CYBMUJFWSA-N 446.878 4.563 30 10 IJEE CCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873079311 GRRQHCROIBLYFT-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(CCc4ccc(C)cc4)CC3=O)sc2C)cc1 1873528466 ZFKZMNHDOBWFKC-UHFFFAOYSA-N 433.577 4.580 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874249564 GQQXGKNEZYJTGF-XQNSMLJCSA-N 439.541 4.891 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)n2/N=C/c2ccco2)cc1 1874387277 DVWUBPDQJLCACV-AFUMVMLFSA-N 449.511 4.522 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2cccnc2)cc1 1874406367 IDGPXXNJJKXZPY-WGOQTCKBSA-N 448.596 4.717 30 10 IJEE CCCNC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1Cl 1874407301 PPJKHHZIMKJZME-ZVHZXABRSA-N 434.009 4.555 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccnc2)c1 1874420408 KVRURTRZYXRJKK-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2[C@H]2CCCO2)cc1 1874442621 HGHVBRJBBQXPFN-LSCMLXDISA-N 426.517 4.842 30 10 IJEE C=CCSc1nnc(CCOC)n1/N=C/c1ccc(N(CC)Cc2ccccc2)cc1 1874473258 UYEZYXNGCVPCBA-XIEYBQDHSA-N 435.597 4.654 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccc(Cl)c1 1874478471 BNLWPXBRIOGVAY-OEAKJJBVSA-N 434.009 4.697 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1ccc(CC)cc1 1874504437 RLUVWBISNOMIGQ-PCLIKHOPSA-N 435.597 4.968 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2sccc2C)c1 1874516837 KYRFGZRSXOBONJ-SSDVNMTOSA-N 425.583 4.755 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cccc(OC)c1OCc1nc(O)c2ccccc2n1 1874576894 LWODUVOPYXCNAF-CCEZHUSRSA-N 442.471 4.828 30 10 IJEE CCCOC(=O)COc1cc(/C=C/C(=O)c2cc(OC)c(Cl)cc2OC)ccc1OC 1874599538 RACANRBHVRWDDY-SOFGYWHQSA-N 448.899 4.594 30 10 IJEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 1874602024 QAWPAQVDZQTZMT-XOVFHRFOSA-N 430.460 4.747 30 10 IJEE O=C(/C=C/c1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1ccc2c(c1)OCCO2 1874620673 MWRUOGAVVHSQHD-YRNVUSSQSA-N 440.455 4.582 30 10 IJEE COc1cccc(C(=O)/C=C/c2cc(Br)c(OC(=O)C3CC3)c(OC)c2)c1 1875100735 KEXUNPMBUNAZJM-RMKNXTFCSA-N 431.282 4.678 30 10 IJEE CC(C)(C)OC(=O)N(CCCOc1cc(Br)cnc1C#N)Cc1ccccc1 1896171189 YNKCNENPQDFASA-UHFFFAOYSA-N 446.345 4.922 30 10 IJEE C=C(C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)[Si](C)(C)C 1922925653 CQDNGMCDVVRJCS-UHFFFAOYSA-N 430.665 4.939 30 10 IJEE CC1(C)OB(C2[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]23)OC1(C)C 1953150576 PVAPTBYCWJGXJI-NHCUHLMSSA-N 431.341 4.960 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NCC 2047967914 NIHVNFXZWHUGKD-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE CCc1nn([C@H](CC)c2c(C)cc(C)cc2C)c(I)c1C=NO 2079979148 LWIAJHHRVZORES-MRXNPFEDSA-N 425.314 4.783 30 10 IJEE CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc(Br)cc(F)c1C#N 2118191839 JLTNTAQDKNKEFK-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(F)cc2Br)NC)C1 2126681926 BHGWYOFJMHVDAO-KRWDZBQOSA-N 427.358 4.580 30 10 IJEE CCc1nc(Nc2ccc(Br)c(I)c2)c(C#N)cc1C 2155476934 HQEAKQIQXCXXBJ-UHFFFAOYSA-N 442.098 4.935 30 10 IJEE COc1cc(N=C2N[C@@](C)(C(F)F)CS2)c(Br)cc1Br 2161367908 SNPPUUPGKILUAE-GFCCVEGCSA-N 430.112 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(Nc2cc(Br)cnc2C#N)cc1 2167621700 GNGYTIBAWDCZQU-CVEARBPZSA-N 429.318 4.840 30 10 IJEE C[C@H]1[C@@H](C(F)(F)F)N(c2cc(Br)cc(C#N)c2)CCN1C(=O)OC(C)(C)C 2174818349 YQPMGJRDRCULFR-NHYWBVRUSA-N 448.283 4.697 30 10 IJEE CC1(C)CC([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(Br)c(C#N)c2)C1 2180995603 NAFLKUKOYGFJEV-INIZCTEOSA-N 436.350 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)cc1Br)C1CCCCC1 2181112338 NLIJGFHLJUXRIO-QGZVFWFLSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181141062 HVBLTMBNYMSTTA-WBVHZDCISA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181144666 WWEUDTGKVSBGSL-BBRMVZONSA-N 436.350 4.590 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(C#N)cc2Br)CCC1(C)C 2193420433 FCXYZJOTAXFLPU-AWEZNQCLSA-N 436.350 4.685 30 10 IJEE C=CCC1([C@H](NC)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2231179363 MLGZXXFEYMNSOH-QGZVFWFLSA-N 425.367 4.531 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@]1(C)C=CCN1C(=O)OC(C)(C)C 2237103948 SJUXWLVMESKEPM-UGKGYDQZSA-N 433.390 4.734 30 10 IJEE Cc1cnc(Nc2cc(Cl)c(Br)cc2F)c(B2OC(C)(C)C(C)(C)O2)c1 2241058621 BRINXLBPDJEDAK-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE CN(Cc1cccc(I)c1)c1cc(Br)ccc1C#N 2265533100 QTVACYWUXRGBNB-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1c(F)c(F)c(Br)c(F)c1F 2267836970 DIUDXLFGAJHSNM-VXJOIVPMSA-N 441.263 4.865 30 10 IJEE Cc1c(COc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cccc1NC(=O)OC(C)(C)C 2268347237 TUNXPYXOGRQEOZ-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2268636541 DXZKLLKWZQDLDU-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C=CCC1(C(=O)Nc2cc(F)cc(Br)c2C)CN(C(=O)OC(C)(C)C)C1 2272240662 PIDLSMVAUQTTMT-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2282674801 OZSQUAIWIPGRBZ-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](C[C@H](O)C#Cc1cccc(Br)c1)C1CCCC1 2296232886 REVGZRUSXCTWSV-UYAOXDASSA-N 436.390 4.883 30 10 IJEE CCC1CCC(NC(=O)OC(C)(C)C)([C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296298305 IVPGDWAWKBFIIF-UEUGHCDMSA-N 435.406 4.992 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccnc1 2297352211 NRSBXVXUHYSYDJ-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE Cc1nnc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)s1 2297747384 UZSQVNBYKVYNJN-KRWDZBQOSA-N 425.535 4.658 30 10 IJEE CCCOc1ccc(C=CC(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)cc1OC 2314732247 NLAIXNHKUGBTQA-UHFFFAOYSA-N 428.510 4.554 30 10 IJEE C[C@H]1[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317350051 MWQUMYAGTROANL-FUHWJXTLSA-N 430.354 4.503 30 10 IJEE O=C1C(=Cc2ccccc2OC(F)F)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 2321968403 BFHXAYUYHHSLAZ-UHFFFAOYSA-N 436.414 4.651 30 10 IJEE CCN(CC)CCCCN1COc2ccc3c(c2C1)OC(=Cc1cccc(OC)c1)C3=O 2322122893 YHGBKZWMLBHCHA-UHFFFAOYSA-N 436.552 4.585 30 10 IJEE CCOCCCN1COc2c(cc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)C1 2322391536 HKNGODCSCRPBHZ-UHFFFAOYSA-N 431.891 4.982 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)ccc2C1=O 2323260224 JDKCHWHAWQGPEW-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c(C)c1 2324035268 VZPBUVYZYGSXTK-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE O=C(C=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 2324041738 LDRHUZJPEGVDCF-UHFFFAOYSA-N 435.407 4.980 30 10 IJEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 2325722983 GAUUBPRNVBFJEA-ZFJSRUIDSA-N 443.584 4.520 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325743080 FZFQEVIPZCUIOU-UHFFFAOYSA-N 432.520 4.833 30 10 IJEE COc1cccc(C(=O)Oc2cc(C=CC(=O)c3ccc(OC)cc3OC)ccc2OC)c1 2325760740 QMYYCQIYOQAXLB-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOc1c(OC)cc(C=Nn2c(CC)nnc2SCc2ccccc2F)cc1OC 2326266814 POFKTQOOGWLMOW-UHFFFAOYSA-N 444.532 4.570 30 10 IJEE COCCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(C(F)(F)F)cc1 2331254448 MSYNOOYOQOHBCK-UHFFFAOYSA-N 434.487 4.969 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339575232 TXGQTGOICSTGMH-KQDNUWKFSA-N 443.397 4.610 30 10 IJEE C=C(C)CN(CC)C(=O)CSc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)n1C 9964969 WQGZZHZEUJUPEQ-UHFFFAOYSA-N 441.622 4.796 30 10 IJEE N#Cc1ccc(-c2csc(NC(=O)COc3ccc(Br)cc3F)n2)cc1 14497149 FCBATMXQMWSJFY-UHFFFAOYSA-N 432.274 4.601 30 10 IJEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)cc1OC 20882696 LLQODXGOOJVYRN-PZJWPPBQSA-N 449.547 4.743 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c(OC)c1 34954241 WQOKHCQBZUCMLY-VZUCSPMQSA-N 432.428 4.548 30 10 IJEE COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccco2)C4)c(OC)c1 41645671 NQEIQKHVBOKSHP-YVNNLAQVSA-N 433.460 4.574 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)NCc3cccc(COC4CCOCC4)c3)c2)cc1 78882241 ZLGNVPHCJZRGIJ-UHFFFAOYSA-N 442.515 4.976 30 10 IJEE O=S(=O)(c1ccc(/N=C/c2ccc(Br)cc2)cc1)N1CCc2ccccc21 100037744 ZUDJPDMHMJXPKI-HZHRSRAPSA-N 441.350 4.951 30 10 IJEE COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)cc1 100361663 UQQOPFHJNANYPT-MCMRFMRISA-N 445.544 4.856 30 10 IJEE CCOc1ccc(/C=C2/Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc3C2=O)cc1 102769005 CHLKBPIAYBVQNN-OEAKJJBVSA-N 436.485 4.778 30 10 IJEE CCCCN(CCCC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccn1 136358278 IMVWBHGONFSZAN-SBXHHDGASA-N 449.595 4.796 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccs2)c1 169989207 DGAVDUAFJCWXMO-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccn2)cc1C 169991001 MWQNQCQXHFMSBI-HSZRJFAPSA-N 427.504 4.547 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cn(C)c3ccccc23)c1 170084500 WFICMDXGOZJKSY-QHCPKHFHSA-N 442.471 4.558 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(C)o1 170100347 YGBKZHLOTUKFQT-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2ccccc2C)c1 170142690 RMEMWJJIGFQXQK-DEOSSOPVSA-N 441.483 4.858 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143555 WZDNAYKDFUTYPS-UPVQGACJSA-N 427.500 4.906 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccn2)cc1 170171718 MLOITXAUAYVXTF-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccn1 170173377 JLMKIQAOPCTGAB-FQEVSTJZSA-N 434.879 4.835 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccccn2)cc1Cl 170176215 MPLLXTHSFIGHFV-NRFANRHFSA-N 434.879 4.835 30 10 IJEE Cc1sc(C2=C(N)N(c3ccc(N4CCCCC4)cc3)CC2=O)nc1-c1ccccc1 170181125 HLJADXCTEYEALM-UHFFFAOYSA-N 430.577 4.825 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2cccnc2)cc1C 170187168 JSQGBKSCCBJMEH-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccnc2)cc1 170190832 AFTYKNBOIAFSEN-HSZRJFAPSA-N 439.471 4.523 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccncc2)c1 170211968 IYIZUYOPHVQARV-FQEVSTJZSA-N 426.900 4.655 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@H]3c3ccccc3)ccc2O1 170222874 YJDHWLHTXKFZFR-CMJOXMDJSA-N 429.447 4.932 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)c1 170227364 UNWRGMBQNGIVOO-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1C(C)C 170229749 LRBDUJPERSKEEL-HYBUGGRVSA-N 449.547 4.966 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)cc1 170257848 RRTOTODZLVWVAN-JOCHJYFZSA-N 433.435 4.713 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(O)c2)cc1 170258889 FXTACUSDUYPXOG-QHCPKHFHSA-N 445.471 4.670 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccco2)c1 170292242 HYBFQDQLTITAQN-HXUWFJFHSA-N 438.867 4.505 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1sccc1C 170317956 CUZMGPPBYHBAEU-QGZVFWFLSA-N 449.956 4.642 30 10 IJEE CC1(C)OB(c2cc(Cl)ccc2NC(=O)c2cccn2Cc2ccccc2)OC1(C)C 404908736 GXQJQWGUAZXCDC-UHFFFAOYSA-N 436.748 4.741 30 10 IJEE CN1CCC[C@@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1 465584857 HZWNKDOVWAQPNF-PXNSSMCTSA-N 435.515 4.501 30 10 IJEE C=C(C)[C@H](NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1)c1ccc(F)c(F)c1 477191390 IMKDHMVFHUYXIB-HXOBKFHXSA-N 430.495 4.805 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[C@](O)(C(F)(F)F)C1 508915072 WEBHCFCYZLCTGQ-KSFYIVLOSA-N 446.473 4.651 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 508962088 PCCFJIRWSGPRDX-UHFFFAOYSA-N 435.616 4.658 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 516514595 AJTXDKRSRFCHIG-NRFANRHFSA-N 431.437 4.544 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 522576403 LGMSDVBWLCFINO-KNQAVFIVSA-N 448.498 4.557 30 10 IJEE CCCOc1ccc(/C=N\n2c(C)nnc2SCc2ccc(C#N)cc2)cc1OCC 526822021 CVUPUMCBFZEBRE-MYYYXRDXSA-N 435.553 4.820 30 10 IJEE COC(=O)c1cccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2ccc(C)o2)c1 526827018 OLXHIYKOSSXEAF-MYYYXRDXSA-N 446.532 4.731 30 10 IJEE C=CCN(C(=O)c1ccoc1CCC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 537304083 WYILXOITNZGTCV-UHFFFAOYSA-N 430.551 4.592 30 10 IJEE Cn1cc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 554857681 QXPAOLLGOAGYQE-FQEVSTJZSA-N 435.915 4.723 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(Nc2cccc(C(=O)OC)c2)CC1 571302627 TXTYRKCEDPJIKL-UHFFFAOYSA-N 449.555 4.599 30 10 IJEE C=CCCN(c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586243618 KNTMJAOBFHVMOW-UHFFFAOYSA-N 446.352 4.791 30 10 IJEE C=CCn1c(SC[C@H](O)COc2c(Cl)cccc2Cl)nnc1-c1ccco1 684856922 XAWLTUDWEWWGQU-GFCCVEGCSA-N 426.325 4.563 30 10 IJEE CCCN[C@H](CC#CC(C)(C)C)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 693698922 UWTYVSLASLGFLC-KCWPFWIISA-N 441.660 4.964 30 10 IJEE N#Cc1cccc(CC(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)c1 749310574 KPRPKTULIKWCLI-UHFFFAOYSA-N 435.277 4.721 30 10 IJEE N#CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)cc1 771666251 LEKAMOANULNNOW-HSZRJFAPSA-N 436.458 4.730 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C3(OCc4ccccc4)CCOCC3)c2)s1 772149639 FRMWCNYBCBTVEN-UHFFFAOYSA-N 432.545 4.669 30 10 IJEE C=CC[C@@]1(C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)CCCN1C(=O)OC(C)(C)C 791718684 UKOUUFXOPNAJRY-SZNDQCEHSA-N 433.530 4.748 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1)c1ccc(F)cc1 794894576 ZLYVFZHIARWJKT-QFIPXVFZSA-N 432.520 4.969 30 10 IJEE C=CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Br 799928076 PVOQAMOOPOGONQ-UHFFFAOYSA-N 444.734 4.720 30 10 IJEE COc1cc2c3c(c1)C(=Nc1ccc(F)cc1)C(=O)N3C(C)(C)C=C2CN1CCCCC1 1081156827 JGFORUVDMPPGDW-UHFFFAOYSA-N 433.527 4.963 30 10 IJEE COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)C(=Nc2ccc(Cl)c(Cl)c2)S1 1084506879 YUDQKLSVDGTUGN-INIZCTEOSA-N 438.336 4.592 30 10 IJEE CCc1ccc(N2C[C@H](C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)CC2=O)cc1 1125753324 AZRAUHVVWHNJHL-JOCHJYFZSA-N 439.515 4.691 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)C(F)(F)F)cc1 1128868460 PHLSXLISCCBIRO-HSZRJFAPSA-N 444.405 4.871 30 10 IJEE C#C[C@@H](NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)c1ccc(Br)cc1 1141461229 QWQURWFDTJCLQF-JOCHJYFZSA-N 432.321 4.833 30 10 IJEE C#C[C@H](NC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 1141799310 IDLNZEPENUFEQG-FQEVSTJZSA-N 441.959 4.818 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2n1 1156690365 LZVDLSRTOYSDPJ-UHFFFAOYSA-N 438.553 4.829 30 10 IJEE COCC[C@H](CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)NC(=O)OC(C)(C)C 1180042669 HBXUQVGIDYXUER-HSZRJFAPSA-N 441.547 4.629 30 10 IJEE C=CCN(CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)Cc1cccc(C#N)c1 1190643913 QMCQTMDICIEKOK-VWLOTQADSA-N 438.531 4.826 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cc(-c3ccccc3OC)[nH]n2)cc1 1199058415 AWSPOWZPMOUTRZ-UHFFFAOYSA-N 431.496 4.544 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)c1 1206047696 BTYMMSKITZJBFB-IBGZPJMESA-N 432.446 4.567 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc(OC)c1OC 1210189629 CSRQVWACLNCDJV-UHFFFAOYSA-N 440.521 4.755 30 10 IJEE C#CCOCCNC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1210856677 NXLHJGMNLNLAAW-GOSISDBHSA-N 430.335 4.556 30 10 IJEE C#CCN(C(=O)NCc1ccc(SC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1226584195 MBUVGJBNNPWPSN-LJQANCHMSA-N 445.382 4.840 30 10 IJEE C#CCOc1ccccc1CNC(=O)c1cc(-c2ccc(Br)cc2)ns1 1265224033 OOOWFZWSDGWEOG-UHFFFAOYSA-N 427.323 4.515 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC(C)(C)C[C@H]2C)ccc1Cl 1276142769 ZAFILSUYMFNDLN-QGZVFWFLSA-N 447.000 4.982 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1ccc(OCC2CC2)nc1 1286278740 QEXWAYYGMJCRMI-XXBNENTESA-N 429.568 4.510 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N(C)CC1COC(C)(C)OC1 1286334937 ONFLRADETRSWBU-UHFFFAOYSA-N 442.629 4.518 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC1(c2ccc(OC)cc2)CCC1 1286431572 ZAGJZEZLSKHRPN-UHFFFAOYSA-N 444.604 4.524 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](c2ccco2)C1 1286541867 DYCADIOFHZQTMJ-KRWDZBQOSA-N 443.345 4.661 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccsc1 1286549705 GMYXIAAVHWUQJI-PKOBYXMFSA-N 429.977 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN([C@H](C)c3ccsc3)CC2)nnc1C(C)(C)C 1286562520 KUFIQGIRGVLVCQ-SBHAEUEKSA-N 443.661 4.502 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCC[C@H]1CCCCO1 1286743341 ZEJYZDJSPMHWAD-HSZRJFAPSA-N 442.567 4.754 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)[C@@H](C)CC 1286747934 RCDSAMCEMVTXHR-MHECFPHRSA-N 435.597 4.868 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1Cc2cccc3c2[C@H](CCC3)C1)C(C)C 1286752114 RCUHXULWLFBNIP-DNQXCXABSA-N 433.644 4.979 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cc(Br)cs1 1286776534 FAKQXTVAWVDMIQ-UHFFFAOYSA-N 442.386 4.928 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2CN2CCCC[C@H]2C)c1C#N 1290890879 HYWUNZWYERNQBJ-QGZVFWFLSA-N 434.609 4.857 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CCCN1C(=O)OC(C)(C)C 1293882408 ZRKHXXRIPIMUQJ-CLOONOSVSA-N 444.547 4.593 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1300384088 KYRXNJHQVJLEHU-QYZOEREBSA-N 428.602 4.560 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1ccc(NC(C)=O)cc1 1300441252 IIKWWGHMOJPEAE-UHFFFAOYSA-N 447.608 4.546 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)C1 1300477407 IFWKVLNPNDCJMY-MRXNPFEDSA-N 428.374 4.942 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1CCC[C@H](C)C1 1300608913 HDKOPZXZCXHMIR-KRWDZBQOSA-N 431.987 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)c1nc(C)cs1 1300807808 QRMVINIWFBYNPX-AVRWGWEMSA-N 449.624 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1300918663 DUEJVOPUQCZLIN-UHFFFAOYSA-N 444.627 4.951 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1300944405 MWSQWIOEBRDJPR-INIZCTEOSA-N 431.968 4.620 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(OC(C)C)c1 1301047947 RBASPRMYYATCGE-UHFFFAOYSA-N 431.993 4.810 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2CCCO2)CC1 1301154466 SDKWTHMMPPYFOA-QHCPKHFHSA-N 438.616 4.875 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1301203250 WAGVCJCDGRRSLY-NRFANRHFSA-N 436.629 4.959 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCCC(F)(F)F)C1CC1 1301316217 IKUVIGZQOFUOBU-UHFFFAOYSA-N 432.288 4.543 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1301359891 RDAZQZMADKOHSU-REPLKXPHSA-N 425.602 4.741 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(F)(F)F)CC1 1301528532 AQUPXSDZLQFNEM-UHFFFAOYSA-N 431.462 4.665 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1 1305319030 BWGAQGIYMBTNSF-BXKMTCNYSA-N 435.597 4.844 30 10 IJEE C=CCc1cc(CNc2ccc(Cl)c(I)c2)cc(OC)c1O 1308444226 DWBXVSBYRFRAAT-UHFFFAOYSA-N 429.685 4.999 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 1309152282 PVWYXXJSQHRHSL-UHFFFAOYSA-N 444.871 4.764 30 10 IJEE CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1310247566 BCKNQNDSFHDHBU-QPPBQGQZSA-N 439.487 4.520 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1nc2c(Br)cc(F)cc2s1 1311301231 IPUHOCKZJYLOBF-UHFFFAOYSA-N 434.290 4.532 30 10 IJEE Cc1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1-c1ccccc1 1312544867 BNGKYPBAMDLMAK-UHFFFAOYSA-N 426.564 4.807 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1313001737 MEBIDXXSIZSPJC-LPWJVIDDSA-N 434.371 4.934 30 10 IJEE C=CCN(C(=O)c1ccnc(-n2cccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350510735 XAHVNKCTVKUDHU-UHFFFAOYSA-N 431.477 4.737 30 10 IJEE C=CCc1cc(CNC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)cc(OC)c1OC 1351759980 KHUVIFRCUWRLIK-UHFFFAOYSA-N 445.563 4.735 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccncc1 1358872591 WMEQSXBIKMDYBL-RTBURBONSA-N 437.975 4.784 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1358943267 CALNRENKIBZNDR-IRLDBZIGSA-N 435.959 4.539 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H]1C1CCC1 1359087323 AUTMRNLVYMETOL-LJQANCHMSA-N 447.377 4.543 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@H](SC)C1 1359146510 ATIDCNBWGZHIDP-KRWDZBQOSA-N 437.009 4.827 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 1359189524 NBVVGCDDLRTBEV-OAQYLSRUSA-N 426.605 4.753 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1359195221 IZWCUEPEMUEGCN-ZEQKJWHPSA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1359200999 YXQRSRWKRRAJHA-OAQYLSRUSA-N 437.632 4.989 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@@H]1CCO[C@@H](C)C1)C1CC1 1359247832 QUROQNCZNKSCOR-DLBZAZTESA-N 432.515 4.907 30 10 IJEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]1c1ccco1 1359337861 DARWLFNYQHWKDS-HXUWFJFHSA-N 440.569 4.816 30 10 IJEE CC(C)OCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1 1360396266 CDSFXDNROHQNLG-VGSWGCGISA-N 431.968 4.627 30 10 IJEE C#CCCCCNC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1446059690 BNRFFJMUZCTGKK-UHFFFAOYSA-N 430.548 4.567 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 1451174486 GDVZEDGTUPFUOV-MRXNPFEDSA-N 430.220 4.705 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1csc(Nc2ccccn2)n1 1451186410 XESVSQRATLOLQZ-UHFFFAOYSA-N 431.315 4.861 30 10 IJEE C#C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@H]1CCCO1 1459987577 PQXGCMRRXONHFU-FCHUYYIVSA-N 436.353 4.572 30 10 IJEE CCOC(=O)c1nc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)sc1C 1462024391 DKIHYLAZEWSWAD-UHFFFAOYSA-N 425.441 4.684 30 10 IJEE CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(C#N)c(F)cc2F)[C@H]1c1ccccc1OC 1462276580 CYYXRHMYOGUDTR-GAJHUEQPSA-N 441.478 4.564 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)c1ccccc1 1463373043 JNCDBKJEOFMKIH-SFHVURJKSA-N 425.909 4.642 30 10 IJEE C=C(C)[C@@H](NC(=O)N(C)C[C@H](O)c1cccc(Br)c1)c1ccc(F)c(F)c1 1469854320 RCAGHKDPYOELAZ-RBUKOAKNSA-N 439.300 4.720 30 10 IJEE C=CCn1c(SCc2occ(C(F)(F)F)c2C(=O)OCC)nnc1-c1cccnc1 1472962208 AQOZSBHIDZVAEA-UHFFFAOYSA-N 438.431 4.607 30 10 IJEE C=CCn1c(S[C@@H](C)c2nccc(N)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472970708 HNPGILTVQNRANH-AWEZNQCLSA-N 435.578 4.845 30 10 IJEE C#Cc1cccc(NCc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)c1 1474424421 WIWJXNCQGHLDFM-UHFFFAOYSA-N 429.749 4.948 30 10 IJEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1476626534 CMTLGYXFOQWSTB-UHFFFAOYSA-N 431.540 4.919 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OC)cc1Br)c1ccc(Cl)cc1F 1478300674 XETXKTMCDFTHLU-ADLMAVQZSA-N 439.712 4.985 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)(F)F)C1)OC 1494987210 CBPNXKTXIAZGFR-IPELMVKDSA-N 435.494 4.657 30 10 IJEE COc1ccccc1SCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC1(C)CC1 1504447225 ADTNZIRWNPKBNO-HSZRJFAPSA-N 425.602 4.899 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](OCC)C1 1507555176 IQHIZMBVJMJBNV-LJQANCHMSA-N 431.378 4.516 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCO[C@@](C)(CC)C1 1507559200 YMBBCVFYWHVLOU-KOSHJBKYSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1507597033 SDVFFSFTMFXZIP-MDNUFGMLSA-N 436.600 4.613 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1[C@@H]1C[C@H]1C(C)C 1507649542 XPTPDHYTHPCCKB-FUHWJXTLSA-N 431.765 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1507664206 PMBVHUZNMJCPGC-VWNXMTODSA-N 432.612 4.767 30 10 IJEE C#CCSCCn1c(N[C@@H](C)[C@@H](OC)c2ccccc2Cl)nnc1-c1ccccn1 1507758731 SBTQOOJJQDWGOY-OXJNMPFZSA-N 441.988 4.548 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C)=C(C)C1 1507791341 WLZOEBDHSMAZKM-UHFFFAOYSA-N 431.378 4.929 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CC[C@H](C)C2)CC1 1507878357 VIMADYXKURRPAR-ZWKOTPCHSA-N 426.561 4.564 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1507914324 KIKFDTIVKYSQTD-HSZRJFAPSA-N 449.643 4.871 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1507932139 MWYHQLDBDLPJSV-UHFFFAOYSA-N 447.583 4.782 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1507936131 YFOMQVHKFNRDNT-FDFHNCONSA-N 440.588 4.787 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1507944045 OFRSDAOUCJJADV-QUCCMNQESA-N 428.552 4.776 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCN(CCC)C1 1507986596 QRGXNWPJXWZMEY-INIZCTEOSA-N 438.403 4.518 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1oc(CCC)nc1C 1508006553 HPBINRSZMSGMBO-UHFFFAOYSA-N 434.569 4.891 30 10 IJEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1csc2ccccc12 1508010464 VGEUSQLJMNVYCF-XMMPIXPASA-N 438.597 4.760 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CSCCS1 1508012503 YMFJFFSGXPBVOE-MRXNPFEDSA-N 437.034 4.634 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(C)ccc1F 1508151317 LCWJCKKBADWSCK-UHFFFAOYSA-N 431.968 4.997 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1508160841 XQCUYYGAJIYFCE-SJORKVTESA-N 435.663 4.964 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 1520345396 JPLBOLFXAIDPJR-OAQYLSRUSA-N 440.609 4.777 30 10 IJEE C=CCC1(C(=O)NCCN2C(=O)S/C(=C\c3cccc(Cl)c3Cl)C2=O)CCC1 1521103910 LZFOEHYBNKCKJL-QINSGFPZSA-N 439.364 4.892 30 10 IJEE C=C[C@@H](CC(=O)N(CC1CCOCC1)c1ccc(Br)cn1)c1ccccc1 1524285457 SLOYYBKVGHYIOQ-SFHVURJKSA-N 429.358 4.964 30 10 IJEE N#CC[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1 1524895770 GAURFFHKZWCAKQ-KKUQBAQOSA-N 427.523 4.607 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)n(-c2ccccc2Cl)n1)c1ccc(Br)cc1 1525054774 RGFSZKPMECFPDA-KRWDZBQOSA-N 428.717 4.701 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C 1525255962 SAQJWRKOZODCIH-CQSZACIVSA-N 430.467 4.646 30 10 IJEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)COc1ccc(-c2ccccc2)cc1Cl 1531919195 CNKJWUPQMYSMLM-UHFFFAOYSA-N 443.894 4.536 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)C(F)(F)F)cc1 1532569632 BSIFZQQVVVROEH-OAQYLSRUSA-N 446.352 4.800 30 10 IJEE C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1533020976 HELSOSVDKAVCDT-MRXNPFEDSA-N 433.439 4.743 30 10 IJEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 1538023185 GOVXNSWFDCVUJO-LJQANCHMSA-N 425.573 4.519 30 10 IJEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1539097049 AGVLZKOGNPGGQD-LJQANCHMSA-N 435.597 4.770 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H](CC)c1ccccc1 1539346068 AAPBEMLMNHXUIC-KRWDZBQOSA-N 440.389 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@](C)(O)C1CCCCC1 1539558392 HJAPAVDNZJAWEF-RPBOFIJWSA-N 441.019 4.846 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCCC1 1539580174 HLGLXHNSPFCEHK-UHFFFAOYSA-N 446.574 4.870 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CCCCC1 1539623595 MWXUUKUCYAJYBO-WZONZLPQSA-N 440.588 4.712 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1539690775 LAXXTEQTWYKZSF-UHFFFAOYSA-N 435.616 4.703 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1539734785 FBNBZSVPHCNRSR-KNQAVFIVSA-N 426.605 4.839 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(CCOC)CCC2)CC1 1539829284 WOQZUSPXNACGLB-LJQANCHMSA-N 428.552 4.920 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C2CCOCC2)C1 1539991105 FGBKCWJMVXBTGW-GOSISDBHSA-N 445.405 4.927 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 1540880668 NLKSFZROMREVMS-NRFANRHFSA-N 434.588 4.555 30 10 IJEE Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(C)C)CC1 1542091280 GXWNKOXOCLWJGE-UHFFFAOYSA-N 436.585 4.566 30 10 IJEE CN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)N(C)C 1554181878 GJVKKJXZEJAZAJ-FQEVSTJZSA-N 448.621 4.879 30 10 IJEE CC(C)COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccco1 1559735196 HGGLWHNBTHWXIM-QFBILLFUSA-N 429.586 4.670 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)c1 1561226522 ASVRZMCGQKPUAP-UHFFFAOYSA-N 447.379 4.769 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CCO)c2ccc(Cl)c(F)c2)cc1 1562265092 QLBSESPCEQAIQB-OAQYLSRUSA-N 445.922 4.539 30 10 IJEE CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1562321635 AZAMKSDHMKXYOF-WIOPSUGQSA-N 435.524 4.689 30 10 IJEE C[C@@H](NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1nnc2ccccn12 1562989409 ARRNRDARGKMHHA-SNVBAGLBSA-N 449.330 4.901 30 10 IJEE CC[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)Cc1cccc(Br)c1 1564094227 DISJZHGBANISHM-QVKFZJNVSA-N 426.358 4.876 30 10 IJEE C=CCCC[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccccc1 1587240805 GBLZIPVAMSIWBF-HXUWFJFHSA-N 439.499 4.865 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1587879730 ZOHAEAHSHKMDEN-DHIUTWEWSA-N 436.600 4.671 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(F)c(F)c1F 1589176851 ALQXZOGFTKYECW-JOCHJYFZSA-N 445.876 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1589250877 DFDRORUABKUCFC-GRYUFTJMSA-N 438.641 4.932 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1593851706 BUOPZJNMPATXET-QGZVFWFLSA-N 438.988 4.514 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1594202336 MCGYNLLLPGQMJB-MRXNPFEDSA-N 444.421 4.593 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1594591400 VEMTUMBAUZROCO-LJQANCHMSA-N 425.577 4.652 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1594698683 WDKOBJLWKYJHHS-UHFFFAOYSA-N 436.629 4.561 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1594793362 KWFHVVFGXYRMKJ-UHFFFAOYSA-N 448.596 4.558 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1csc(COC)n1 1594896205 UQCCEYCVVDYGHV-UHFFFAOYSA-N 429.615 4.549 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1595115890 NDPCMYUERPVHOA-FIXSFTCYSA-N 437.632 4.833 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1CC1(CC)CCOCC1 1595127458 PYTBYBGJRWVTEW-UHFFFAOYSA-N 437.563 4.822 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@](C)(O)C(C)C 1595178143 GMYKZKSGBTWQEL-AREMUKBSSA-N 433.600 4.938 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1595200757 PKGPTLCSSYRAJL-DHLKQENFSA-N 432.572 4.657 30 10 IJEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCc1csc2ccccc12 1595297492 RFRQJVOKSJLEDN-HXUWFJFHSA-N 426.586 4.616 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCCC[C@@H](COC)C1 1595427956 ARZUAIAXGPWZBV-LJQANCHMSA-N 432.996 4.690 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](OCC)C2)cc1 1595639864 MTNKBWAZGIGGRL-QFIPXVFZSA-N 438.597 4.549 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1N1CCCC1 1595878833 RMTOJSNTQYNARH-QFIPXVFZSA-N 441.645 4.676 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(OC(C)(C)C)nc2)cc1 1613768313 AECCVQBXJZFJGX-UHFFFAOYSA-N 444.583 4.868 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c(Cl)c1 1627810812 PMONFJDMUWTKPF-UHFFFAOYSA-N 436.726 4.618 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1ccc(C#N)c(Br)c1 1639214001 WOFASDDVSHPXKO-UHFFFAOYSA-N 445.317 4.968 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)C(=O)OCC 1640862865 CEQMHIAUOZXTDX-UXHICEINSA-N 446.341 4.583 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(c2noc3cc(F)ccc23)CC1 1643296335 SSKZUFJRXIGIHW-INIZCTEOSA-N 427.545 4.811 30 10 IJEE C=CCn1c(SC[C@@H]2CCN(C)C2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1651573149 CUIVFRGBLFGATH-DOTOQJQBSA-N 444.670 4.914 30 10 IJEE C=CCN(Cc1cc(Br)cc(F)c1F)[C@@H](Cc1ccccc1)C(=O)OCC 1654155528 SOMZXTXUWXFHJT-IBGZPJMESA-N 438.312 4.890 30 10 IJEE C=CC[C@@H]1CCCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 1654178002 RKRKDFZWFFCEMW-JOCHJYFZSA-N 428.580 4.503 30 10 IJEE Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cc(Br)c(C#N)cc2F)o1 1654288043 ALSRVYSXGZSAAR-INIZCTEOSA-N 441.322 4.667 30 10 IJEE C=CCn1c(SCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)nc2ccccc21 1656004575 FJCXRGZVABPWQW-UHFFFAOYSA-N 434.468 4.980 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2OC(F)(F)F)c1 1660031639 TVZOBCMUFGWOBD-UHFFFAOYSA-N 431.435 4.962 30 10 IJEE CC(C)c1ccc(C[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)cc1 1663228175 FFHSNUZEHNKHRL-GOSISDBHSA-N 436.499 4.954 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC[C@H]4CC[C@@]43CNC(=O)OC(C)(C)C)cc2n1 1664854973 WUFGJFIQSPXFNB-MHECFPHRSA-N 439.560 4.524 30 10 IJEE C=C(C)COCCNC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1665595667 PZTGGIITCQMBSX-QHCPKHFHSA-N 441.641 4.863 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H]1Cc1ccccc1Br 1668990247 BABWELMKKSDYAF-QGZVFWFLSA-N 431.305 4.839 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 1669069686 VRDBEKOAVQQRDJ-LJQANCHMSA-N 434.508 4.901 30 10 IJEE C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1ccc(C#N)c(Br)c1 1671214239 BXICDAPVAVHCPR-NSHDSACASA-N 437.135 4.836 30 10 IJEE CCOC(=O)N(C)C1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 1671954721 GDUWSEHGEWFWGC-UHFFFAOYSA-N 438.553 4.794 30 10 IJEE C#Cc1cccc(CNC(=O)N(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)c1 1673630706 HYFGCBNYBXFMSG-OAQYLSRUSA-N 441.369 4.630 30 10 IJEE C#Cc1ccc(NC(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)c(Cl)c1 1675169051 AEGKOXNVRIMEBI-UHFFFAOYSA-N 437.952 4.834 30 10 IJEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 1676427423 FDSQDKOBENNPKL-MRXNPFEDSA-N 429.362 4.974 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(OC)cc1Br 1680975798 SSKQIMZKQRYPDI-OAHLLOKOSA-N 433.346 4.925 30 10 IJEE C=CCOc1ccc(CNC(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc1 1681031318 FLNATWBXUASNDF-UHFFFAOYSA-N 438.572 4.846 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 1681941952 GMPZFODTVPYXCO-DRLORSAXSA-N 441.616 4.900 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)C1 1684412568 MDFFWADONNTLBY-HYBUGGRVSA-N 440.609 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CC[C@H](C)C1 1690036927 GRNFTXNMZAMHCU-HOTGVXAUSA-N 431.403 4.668 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1Cc1cn(CCCC)nc1C 1690207941 RJIJSLLTVDWFPS-AREMUKBSSA-N 430.600 4.523 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1cc(Br)cs1 1690208916 CIHUJIXLRJRWPJ-HXUWFJFHSA-N 433.419 4.875 30 10 IJEE C=C(Br)Cn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1C1(c2ccccc2)CCC1 1690233679 OHZHBJFKRIHWAX-HKUYNNGSSA-N 445.405 4.660 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 1690248817 PYMHWDLYLPSJAE-GCJKJVERSA-N 426.948 4.733 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCSc2ccccc2)CC1 1690398617 BGMPKPMNCDQJRO-XMMPIXPASA-N 442.629 4.515 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC(C)C)CC1 1690420416 NKVDUPBAYMVXDX-FQEVSTJZSA-N 443.611 4.938 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1690442347 QVLDNQYEDCZERZ-JOCHJYFZSA-N 447.583 4.535 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cc(C)no1 1690447175 LINLVXIDOZRCLN-UHFFFAOYSA-N 447.381 4.573 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC=C(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1690447890 ZJCBLFNBWKWUCZ-JYFHCDHNSA-N 436.600 4.835 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCNC(=O)OC(C)(C)C 1690516384 HHKBMVKMYRCJLO-UHFFFAOYSA-N 447.992 4.960 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC(F)(F)C1 1690561361 NJMUKKQYLIBDSA-QFIPXVFZSA-N 448.521 4.764 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCS[C@H](C(C)C)C1 1690682174 GZAPXNYGHCUTBN-QFIPXVFZSA-N 435.597 4.531 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2sccc2C)C1 1690706958 MLEIHOBEDMZAIF-KRWDZBQOSA-N 444.551 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1scnc1C 1705696454 NXRAYSDDCRMIKW-IRLDBZIGSA-N 437.613 4.890 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1705722629 UIMGBQRWQKVRHX-AZUAARDMSA-N 435.572 4.789 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCOCCOC)CC1 1705762742 HFPRNDJSLPZSRE-IBGZPJMESA-N 448.995 4.508 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccccc1 1705796291 CCXMYBAGBFUTMY-XPWALMASSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1705807433 CQYLHUZMTOTOCQ-LJQANCHMSA-N 430.543 4.756 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C)C1 1705809351 ORHHDRNRNDIJEY-OAHLLOKOSA-N 425.360 4.745 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCN(CCC)CC1 1705810132 OWVYIZZXRVONLI-FGZHOGPDSA-N 431.669 4.864 30 10 IJEE C=CCCOCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705825279 PBNKLVZANPLXFH-DHIUTWEWSA-N 438.616 4.544 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccc(Cl)s1)C1CC1 1705858454 NAOQXCXMLRYZLG-UHFFFAOYSA-N 439.972 4.841 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1C2CCC1(C)CC2)C(C)C 1705867553 PUHPFISUHLUCES-ZKKFKWFVSA-N 427.637 4.740 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1ccccc1F 1705880126 WDUHLNABNFALGA-LJQANCHMSA-N 438.547 4.727 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCCC2(F)F)C1 1705918247 FXVXDTIKGGTWHE-MSOLQXFVSA-N 432.515 4.561 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](OC)C(C)C)C1 1705920151 RHHWSESOOLJEKS-VXKWHMMOSA-N 426.605 4.695 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1705940931 UBPVXUXXAJPVKN-HXUWFJFHSA-N 432.037 4.582 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2nccs2)CC1 1722326426 FWXQFXILMYCCID-QGZVFWFLSA-N 439.560 4.811 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1722494620 QUGQZLICNIBXFW-ZOCIIQOWSA-N 447.377 4.634 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2CCc2ncc(CC)s2)CC1 1722579092 JSKORQKFQFVBKQ-UHFFFAOYSA-N 437.613 4.830 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1722591758 LTLYTVGDOKTWDW-OAQYLSRUSA-N 448.615 4.930 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C(F)F)c1 1722634003 ZYRDBGRWUKEWIA-UHFFFAOYSA-N 436.304 4.654 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCSCC(F)(F)F)CC1 1740836940 PCIIMJLGPKQEKO-UHFFFAOYSA-N 431.915 4.691 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC1 1740840830 BSGUDAMEQKWYOA-UHFFFAOYSA-N 439.972 4.894 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(C)COC1 1740855652 KKFUBUIGRMWXNF-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740880502 XDTOADDLDYHTRL-LJQANCHMSA-N 438.494 4.679 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1cc(C(F)(F)F)ccn1 1740902772 YRZRHWLBQRWZNJ-UHFFFAOYSA-N 440.473 4.629 30 10 IJEE C[C@@H]1C[C@H](CCn2c(N3CC=C(c4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CCO1 1742947317 CDFWMNDLMWSZTC-WOJBJXKFSA-N 433.600 4.946 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1748732110 SRJJLCNEQPUZGB-CYFREDJKSA-N 440.613 4.564 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCOC[C@@H]1C 1748917917 QJUBCICMADUJPZ-HKUYNNGSSA-N 438.572 4.945 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)nnc1C(C)(C)C 1749140537 QMJLHLXRBAXLGL-IHSNIMORSA-N 427.420 4.577 30 10 IJEE C=C(C)COCCn1c(C2CC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1749226063 MXNIORHFENMQDF-OAHLLOKOSA-N 431.378 4.634 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2cnn(C)c2)CC1 1749291967 MFWRKNUYKXEKMT-SFHVURJKSA-N 440.979 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nccn2C(F)F)CC1 1749334762 MJAINUGYPIREIQ-UHFFFAOYSA-N 448.905 4.649 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1CCc1ccc(OCC(F)(F)F)nc1)C1CC1 1749519975 VSOHYMDDTGETLW-UHFFFAOYSA-N 437.510 4.600 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1749747209 WDVBQSYJZNVJKH-ZOKDDAQRSA-N 444.626 4.701 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCCN1CCCCC1 1760101732 VBIZUDKBODXXBX-JOCHJYFZSA-N 444.627 4.916 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H](C)c1ccccc1F 1760323539 DGCQUVDFKQRHOY-FPGHNAPASA-N 435.547 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1c(C)noc1C 1760330391 BBARLSGODYRUEA-UHFFFAOYSA-N 448.340 4.902 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)CCn1cccn1 1760341539 HQGAZMZQAPTTQD-SFHVURJKSA-N 428.968 4.597 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1760414500 SSGBKUJUMYSKEE-FQEVSTJZSA-N 449.603 4.757 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCC(=O)N1 1760419016 FGEKUMNQUVCPJR-LJQANCHMSA-N 441.645 4.737 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1ccc(C)o1 1760451549 LZELGCGOKJUNTF-OAQYLSRUSA-N 442.510 4.983 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C1CCCCC1)N(C)C 1760457829 IXXNNKKBDXPGKK-HXUWFJFHSA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1CCN(C)CC(F)(F)F 1760485900 VCGGOZSYQDTAMW-UHFFFAOYSA-N 439.507 4.595 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCOC1 1760491839 WDVAWYPEUADZON-KRWDZBQOSA-N 431.378 4.621 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1C[C@](C)(O)c1ccccc1Cl 1760499670 GDEIILPADBFNHF-QHCPKHFHSA-N 426.948 4.545 30 10 IJEE C=CCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1760506278 AUAKUSPEZKLIOF-UXHICEINSA-N 446.599 4.509 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)C[C@H]2CC)cn1 1764607503 AIJHUXZSJLZCBR-PGRDOPGGSA-N 430.556 4.674 30 10 IJEE CO[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 1769640781 APJRRKGTOPMXIL-NFBKMPQASA-N 436.947 4.511 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H]1C 1770548035 CJHNHNXYLCLAMX-WSTZPKSXSA-N 427.618 4.743 30 10 IJEE Cc1cc(Br)cc2c1N(Cc1ccccc1OCCC(C)C)C(=O)C2=NO 1772729094 WRLXQZFSASVJGH-UHFFFAOYSA-N 431.330 4.908 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(C(=O)OCC)c2)c(=O)cc1C(=O)O 1857890776 DBQPAYBCXKUSLI-UHFFFAOYSA-N 429.513 4.663 30 10 IJEE CCOc1ccc(CCNC(=S)N/N=C/c2ccc(Cl)c(Cl)c2)cc1OCC 1860497793 BTFUTUXAMVJUKB-ZMOGYAJESA-N 440.396 4.832 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862384616 WJXXESRUYCRFOU-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1F 1862411569 KUKOCSYLVRAODP-QFIPXVFZSA-N 437.417 4.925 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(Br)c1 1862421417 IOGPVGLSYROCLM-QGZVFWFLSA-N 436.252 4.714 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(OC)cc1 1862457986 BYXRYZJWPOOLOZ-FQEVSTJZSA-N 433.426 4.881 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1 1862475058 BZGKRWSZIOPNGN-HSZRJFAPSA-N 431.463 4.661 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2Cl)ccc1F 1862503294 UZHUGYIMBAGNDJ-QRWLVFNGSA-N 429.875 4.545 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(C)c2)cc1OC 1862576507 VXHWZKXKTWGGJJ-XMMPIXPASA-N 443.499 4.791 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2ccc(F)cc2F)cc1 1862597366 YXCMFCRPBUXYJB-QFIPXVFZSA-N 435.426 4.757 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2 1862626508 CUABIIIDMMCQDH-JOCHJYFZSA-N 447.874 4.847 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(F)c1 1862724046 IBYISSMJYSCQMZ-HSZRJFAPSA-N 431.463 4.717 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)cc1 1862746976 LPOHREXSABFMMR-IVZQSRNASA-N 444.443 4.640 30 10 IJEE COc1ccc(C2=C(Nc3cccc(Cl)c3C)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862961527 CZKFCFGNUOKIEI-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCO)=C(c2cc(Cl)ccc2Cl)C1=O 1863727659 ZEGZACKBOHXDSV-UHFFFAOYSA-N 441.399 4.796 30 10 IJEE CCc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1ccc(Oc2ccccc2)cc1 1870157645 HTZGZBFINKPOIN-UHFFFAOYSA-N 439.475 4.511 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3cc(Cl)ccc3n2)cc1 1870162668 YEESGKSEDRASHL-UHFFFAOYSA-N 446.898 4.772 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(C)C)cc2)cn1CCc1cnc[nH]1 1870471949 CNAHATCGDDQCAP-UHFFFAOYSA-N 446.595 4.691 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC=C(C)C)cn1C[C@@H](O)c1ccc(Cl)cc1 1870613129 FZFDEJJICGTBLY-XMMPIXPASA-N 442.987 4.754 30 10 IJEE C=CCn1cc(OCc2c(C)cc(C)cc2C)c(=O)cc1CNc1ccc2c(c1)OCO2 1870802836 MEMRPXVUOUWDKI-UHFFFAOYSA-N 432.520 4.879 30 10 IJEE C#CCOc1cn(CCCCN(CC)CC)c(CNc2cccc(C(F)(F)F)c2)cc1=O 1871005879 DTRBBSVXPOHSQP-UHFFFAOYSA-N 449.517 4.613 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1)S(=O)(=O)CC 1871832883 GLFLCMXYNIEITO-QHCPKHFHSA-N 428.598 4.937 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871945596 FNXAMESUBLSJDB-GOSISDBHSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(F)c1)[C@@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871988770 NDGMFZVWLZGFTD-HRAATJIYSA-N 436.524 4.585 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(CC)cc1)S(=O)(=O)c1ccc(F)cc1 1872078131 HRMLVXYBPBHUTM-QFIPXVFZSA-N 432.561 4.618 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872368843 SKOKZWDIJMJZNR-HXUWFJFHSA-N 436.524 4.566 30 10 IJEE CCCCCCCCNC1=C(c2c(C)cc(C)cc2C)C(=O)N(C[C@@H]2CCCO2)C1=O 1873121298 WRQYEXNZGIFLIP-NRFANRHFSA-N 426.601 4.821 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(OC)c2)cc2c(N(CC)CCCC)ncnc21 1873654509 IEVJWWOPWGYBED-UHFFFAOYSA-N 437.544 4.513 30 10 IJEE C=CCSc1nnc(CCc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(F)cc1F 1874221904 FOOCOLXOEUZMIX-AFUMVMLFSA-N 444.507 4.519 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(OC)c(OC)c3)nnc2SC)cc1 1874238407 HEJYHRISEGIXON-LFVJCYFKSA-N 440.569 4.669 30 10 IJEE CCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(O)c(O)c1 1874244877 POJZZBPSTCSTKP-ZVHZXABRSA-N 426.586 4.833 30 10 IJEE CCOc1cc(/C=N/n2c(COc3ccccc3Cl)nnc2SCC)ccc1O 1874266960 DEVHHDUETKEQQE-WSDLNYQXSA-N 432.933 4.609 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccccn1 1874311598 OLYVTBLNGXUSRU-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1cc(Br)ccc1O 1874326373 LRYIKFLTQCPVLB-UFFVCSGVSA-N 447.358 4.546 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccc(C)cc1 1874364004 HXCIBCLNFZEHFT-PCLIKHOPSA-N 436.581 4.608 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccncc2)c(C)c1 1874425008 MWUGBCADCVVUQX-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCc3ccccc3Cl)nnc2[C@H]2CCCO2)c1 1874446171 UXIQVBLHNARULA-AOOMUMSASA-N 428.945 4.972 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874451067 QRIYBXRQOJQUPG-BBMHEYIBSA-N 444.601 4.601 30 10 IJEE COc1ccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1O 1874451379 YFUVNGBCHWVVOJ-AOOMUMSASA-N 444.944 4.672 30 10 IJEE O=[N+]([O-])c1cc(/C=N/n2c(SCc3ccccc3F)nnc2C2CCCC2)ccc1O 1874455065 ZAYPKPGBLXJZTH-FSJBWODESA-N 441.488 4.863 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3C)nnc2C(C)C)cc1 1874510707 WMLJOEDNNRPNAM-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCc2cccc(C)c2)nnc1C(C)C 1874511479 AAFGHUNTKAEILF-ZMOGYAJESA-N 440.569 4.910 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 1874530517 NGZDQAQLGRAGLZ-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE COCCc1nnc(S)n1/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1874559734 KWVOSAGPRLNCRF-SSDVNMTOSA-N 437.352 4.524 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2-c2ccco2)c1OCc1ccccc1Cl 1874559958 ZGNLZXGWDKBVCU-FSJBWODESA-N 440.912 4.950 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)cc3OC)c2)c1 1874695408 ZFMOSBRSEHRVHH-JLHYYAGUSA-N 432.472 4.757 30 10 IJEE COc1ccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(F)c(F)c3)c2)cc1[N+](=O)[O-] 1874711068 RFVRNRIVEALLHQ-WEVVVXLNSA-N 439.370 4.997 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] 1875085198 UGLIPXROXQCQQQ-XYOKQWHBSA-N 432.388 4.927 30 10 IJEE CCCCC#CC[C@H](CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)NCCC 2024370753 QNTSELNTZDMCBE-XMMPIXPASA-N 429.649 4.965 30 10 IJEE C=CCN(CC[C@H](N)Cc1ccc(Cl)c(Br)c1F)C(=O)OC(C)(C)C 2047974951 ZYFMOPHFYPVRIV-ZDUSSCGKSA-N 435.765 4.925 30 10 IJEE CCn1c([C@@H](C#N)C(=NS(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 2053505705 VFXIYVXNFLBCQE-KRWDZBQOSA-N 434.546 4.603 30 10 IJEE Cc1cc(O)c([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1C 2079970583 UQIURSDJZYYXKJ-SFHVURJKSA-N 447.320 4.949 30 10 IJEE CC[C@H](c1ccc(OC(C)=O)cc1)n1nc(C2CCC2)c(C#N)c1I 2080077910 LKTZCZGURKSMKL-QGZVFWFLSA-N 449.292 4.552 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cc(Br)ccc2C#N)s1 2124686735 XBWJGPFTOWDSFQ-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE C[C@@H]1CCCN(c2cc(Br)cnc2C#N)[C@@H]1CCCNC(=O)OC(C)(C)C 2174716078 PVHHTNDVYPJCKQ-RHSMWYFYSA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CN(c2cc(Br)ccc2C#N)Cc2ccccc21 2174769547 ZOZGRPFYVRYFNY-SFHVURJKSA-N 428.330 4.907 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181104153 WNGJXFSRYTWVMF-WWGRRREGSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2cc(Br)ccc2C#N)CC1(C)C 2181111662 JIXZBJOFFIZDRA-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCCNCCC1(F)F 2196990404 UXVNVRNSMDLJMM-GOSISDBHSA-N 444.320 4.862 30 10 IJEE CC(C)[C@H](CCCC(=O)Nc1ccc(C#N)c(Br)c1)NC(=O)OC(C)(C)C 2235329859 HRHGHEVMXIXTJT-KRWDZBQOSA-N 438.366 4.979 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CN(CC1CC1)C(=O)OC(C)(C)C 2235723183 DTAKSDPXJUQPEZ-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)C#Cc1ccccc1 2237413671 JURGOKDXUICUME-IBGZPJMESA-N 428.326 4.506 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cc(Cl)c(Br)cc3F)c2)OC1(C)C 2266051948 ODMNKMKGLUSOGL-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(C)n2)CCCCN1C(=O)OC(C)(C)C 2272129866 ZTMRISSJALZWNY-LJQANCHMSA-N 426.355 4.662 30 10 IJEE C=CCCC1([C@H](C#Cc2ccccc2Br)NC)CN(C(=O)OC(C)(C)C)C1 2281037017 FEBHPDVQPWONJO-IBGZPJMESA-N 433.390 4.592 30 10 IJEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(Cc1ccccc1)c1ccccc1 2281810130 ZKUDMIQABPZPOD-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE Cc1cccc(C(=O)N2CC[C@]2(C)CCOCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2282693203 KDZCGUBMRGRDDI-HHHXNRCGSA-N 449.400 4.506 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1Nc1c(Br)cccc1C#N 2285238601 UUCUPVOGQMAVOQ-MJGOQNOKSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cccc([C@@H](O)C#Cc3cccc(Br)c3)c21 2296221332 HTDVIMZVOJULKO-IBGZPJMESA-N 428.326 4.832 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C#Cc2cccc(Br)c2)C12CCCC2 2296225627 XDMOQJQKJHXUFX-SFHVURJKSA-N 432.358 4.940 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C)CN1C(=O)OC(C)(C)C 2296284750 UKSGDZMXMLJDLO-AHRSYUTCSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2296296951 UFKGJTAZCZSEDV-WOJBJXKFSA-N 431.374 4.558 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2296305738 YBEPAHDMEZLGJQ-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE COc1ccc(Nc2nc(=Nc3ccccc3)nc(NN=CC=Cc3ccccc3)[nH]2)cc1 2297321887 AROHLYUXTQFJPZ-UHFFFAOYSA-N 437.507 4.900 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319678302 WMZNAZRNEACYDZ-QHCPKHFHSA-N 430.354 4.732 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN(CCc1ccccc1)CO2 2321937292 SHFNLOIHWOOPNM-UHFFFAOYSA-N 442.471 4.914 30 10 IJEE CCOC(=O)c1ccc(COc2ccccc2C=CC(=O)c2ccc(OC)c(OC)c2)o1 2322346840 UPGJMOLEOJXOKQ-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)C(=Cc1cccnc1)O2 2323701647 DYYWSTNRIIBXKQ-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCOC(=O)[C@@H]1CCCN(Cc2c(O)ccc3c2OC(=Cc2ccc(C(C)C)cc2)C3=O)C1 2324058812 IPFYHIJYUVCTNU-HXUWFJFHSA-N 449.547 4.907 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(Cl)c2)cc(Cl)c1OCC(=O)OC 2324611991 AVDIKUYTYQLJRV-UHFFFAOYSA-N 439.291 4.849 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2C)C3=O)cc1 2324982704 KSSIOSJUWQOSIV-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1ccc2c(c1C)OC(=Cc1ccc(OC)c(OC)c1)C2=O 2325079477 DFCSPNOPWVJZFB-GOSISDBHSA-N 440.492 4.739 30 10 IJEE CCOCCOC(=O)CCOc1cc(C)c2c(c1)OC(=Cc1ccc(Cl)cc1)C2=O 2325107944 JHHGCVZLDPFFBV-UHFFFAOYSA-N 430.884 4.613 30 10 IJEE CC(=O)c1sc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2)C3=O)nc1C 2325250668 IKLDQCBHGCEFCA-UHFFFAOYSA-N 448.500 4.596 30 10 IJEE CC1CC(CS)(COCc2ccc(I)c(Br)c2)C1 2325380103 ACXDRZLATHGHOM-UHFFFAOYSA-N 441.172 4.916 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)Nc1ccc(F)c(F)c1F 2325530416 SNVHEZBXJPTBKY-UHFFFAOYSA-N 443.352 4.877 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1ccc(OC)c(O)c1 2326122373 GTDOKJXWPSZBHU-UHFFFAOYSA-N 446.960 4.836 30 10 IJEE CCCOc1c(OC)cc(C=Nn2c(C)nnc2SCc2ccccc2F)cc1OC 2326262209 NSJROLIMVMSKKV-UHFFFAOYSA-N 444.532 4.706 30 10 IJEE CCCOc1ccc(C=Nn2c(C)nnc2SCc2cccc(C)c2)cc1[N+](=O)[O-] 2326377364 RZKGTIWJIYKVQJ-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)OCC(C)C)n2N=Cc2sccc2C)cc1 2330024643 BBAFTFNJLPOJNY-UHFFFAOYSA-N 442.610 4.721 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(OC)c(OC)c1 2330066964 YUJHPAFNSJTOHX-OAQYLSRUSA-N 432.605 4.869 30 10 IJEE Cc1scc(CN(C)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)c1Br 2369668709 CGAWYOLZIPLVQH-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)c1 33423686 LAYNRTPSJZPOIC-QFIPXVFZSA-N 433.460 4.553 30 10 IJEE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(N/N=C/c4cccs4)n3)c2)C1 33960114 WXLWNIPBDAYCCL-NGZBARDMSA-N 446.623 4.738 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(N/N=C/c3ccccc3Cl)n2)c1 33960119 KESNXUNPMMIFLY-LPYMAVHISA-N 449.001 4.940 30 10 IJEE COc1ccc(C(=O)/C=C\c2cccc(OC(=O)c3c(OC)cccc3OC)c2)c(OC)c1 34955431 LCZQWXRMJAUUDD-KAMYIIQDSA-N 448.471 4.836 30 10 IJEE COc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(C)cc34)CC2)cc1Cl 64473875 LGKQXYAQBHIYJY-UHFFFAOYSA-N 434.927 4.932 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)no1 102505561 GVQABCUZZFYYQO-VZCCSQPZSA-N 429.259 4.916 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2cccc([N+](=O)[O-])c2)C3=O)cc1 110529221 BFDGIBOMQVFYCC-WSDLNYQXSA-N 431.400 4.577 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccccc2O)cc1 169923585 MHLVNZZIQJYMDL-HSZRJFAPSA-N 440.455 4.665 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(OC)cc2)cc1 169928054 BGPNQAUTLKXULQ-QHCPKHFHSA-N 437.536 4.651 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)cc2)cc1 169959698 WSBSYFOXESPRMN-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCOC(C)C)cc1 170027864 QTGHJQQRTDVYHT-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccccc2)cc1C 170050157 FSMUJOSUXAILSS-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)cc1 170054567 ODFGSNXRAFKAMM-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 170114153 MTQHHAFUZQCZDJ-LADGPHEKSA-N 443.499 4.606 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(C)c2)c1 170141199 XEXITQGUYVSHBS-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1Cl 170163459 VMCQJVOIQQIPHS-LJQANCHMSA-N 440.908 4.584 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccn2)cc1C 170171788 UGROIQPUXSSYBD-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccncc2)cc1C 170201665 CDOBYCKRVBLOTE-HSZRJFAPSA-N 444.487 4.667 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)N(C)CCO4)[C@H]2c2ccco2)c(C)c1 170289401 VVOORQFGXGPUTA-HSZRJFAPSA-N 444.487 4.508 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3OC)[C@@H]2c2ccc(C)o2)cc1 170300667 YBHYMBIARXHTRG-QHCPKHFHSA-N 447.487 4.951 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(C)o2)c(C)c1 170304959 SAKQIMNLTCKCTF-HSZRJFAPSA-N 429.472 4.923 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccc(C)o1 170306339 AIWFRWNYRJFRSL-HXUWFJFHSA-N 443.377 4.797 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@@H]1c1ccc(C)o1 170309265 CEKKDVRIXCUVJD-IBGZPJMESA-N 433.888 4.637 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(F)c(Cl)c2)ccc1O 170464043 ZZDFNZVNZIMQSE-IBGZPJMESA-N 433.863 4.709 30 10 IJEE N#C[C@H](C(=O)c1cc(Br)ccc1I)c1ccccc1 225772622 WHHXUMCVHIZVHK-ZDUSSCGKSA-N 426.051 4.544 30 10 IJEE N#CCCCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1 247713064 LEIZFJHQCXYMOH-ZTCOLXNVSA-N 431.536 4.781 30 10 IJEE COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3ccc4ncccc4c3)N(C)C1=O)S2 252622575 NYIYQEGKXPCFFK-KNOSKDQYSA-N 434.546 4.847 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1cc(Cl)ccc1OC 252627210 ROVSFDMUZJHHOP-IBGZPJMESA-N 445.972 4.946 30 10 IJEE Cc1ccc(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)cc1C#CCCO 390665828 ROMUZDRATAOZMZ-UHFFFAOYSA-N 440.587 4.551 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)cc1 433272641 XIQNTRQLWAIODI-IBGZPJMESA-N 435.421 4.907 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CCCC2 443818020 VSJZPJQYDSTXCA-UHFFFAOYSA-N 433.562 4.919 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc3c2OCCC3)nnc1-c1ccc(Cl)cc1 466728709 VNODSWFRFNDISD-UHFFFAOYSA-N 440.956 4.840 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2F)c1 481567298 BKWVWALZOOYPJO-UHFFFAOYSA-N 430.483 4.630 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 502501633 MBBSCMHSIKIOLT-INIZCTEOSA-N 435.240 4.668 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 508470178 BFEOWSSUYZEEKQ-QGZVFWFLSA-N 425.627 4.836 30 10 IJEE C=CCc1cc(CNC(=O)NCc2ccc(-c3csc(C)n3)cc2)cc(OC)c1OC 523192964 QSCAOMBZXPRJAA-UHFFFAOYSA-N 437.565 4.864 30 10 IJEE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)cc1OC 526487653 DRJKXEHUDYANGL-XMMPIXPASA-N 441.487 4.808 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2ccc(OC)c(O)c2)c1 526515247 IMJOCAZIVBTGLJ-XMMPIXPASA-N 442.471 4.728 30 10 IJEE CCOc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccccc2C(=O)O)c1 526515513 IUSNVXHNBXHOAM-QHCPKHFHSA-N 440.455 4.712 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2C)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526811582 ODACLBOKFBQDSH-UUYOSTAYSA-N 425.514 4.636 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2/N=C\c2cccs2)cc1 526828197 BLELSAHXXKDNMK-IWIPYMOSSA-N 448.573 4.892 30 10 IJEE CCCCc1ccc([C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2cccs2)cc1 585693174 UCEJMXRDAQNLKL-HSZRJFAPSA-N 449.551 4.623 30 10 IJEE COc1cc([C@H](C)NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)ccc1OC1CCCC1 609097664 CGFSFJZROQMHSI-FDDCHVKYSA-N 433.552 4.734 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)cc1F 698380452 YSKSCOJAEDCNLD-QGZVFWFLSA-N 428.346 4.732 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1=S 763334399 WKIDEGVWMFABSX-OAQYLSRUSA-N 439.560 4.531 30 10 IJEE Cc1nc(C)c(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2ccc3c(c2)CCCC3)o1 764429916 KZXWKNHIDCRAJG-UHFFFAOYSA-O 431.541 4.653 30 10 IJEE COc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3cccc4ccccc34)n2)c1 778294754 MIQGDRAMWLUDRM-HXUWFJFHSA-N 427.485 4.933 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1coc(-c2ccc(C(F)(F)F)cc2)n1 780178898 UULYYUPHRJFKBY-FQEVSTJZSA-N 438.402 4.665 30 10 IJEE C#CC[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(C)nc(Cl)c1)c1ccccc1 788235617 WNOWIULUOMPBMU-PMACEKPBSA-N 441.959 4.880 30 10 IJEE O=C(O)COc1ccc(Br)cc1C(=O)/C=C/c1ncc(-c2ccccc2)s1 794725872 ZZLXJGMLUQYHQL-VQHVLOKHSA-N 444.306 4.932 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)c1 1084008209 CGLJBXONNLQZTN-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE C=CCN(C(=O)C1CCC(C2CC2)CC1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124682636 LKCINTPEGPYCPW-UHFFFAOYSA-N 444.622 4.949 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)OCCc3cc4cc(Br)ccc4o3)n2)c1 1124973630 HXVLQRCTXHYSHX-UHFFFAOYSA-N 436.265 4.652 30 10 IJEE C=CCCCCCN(C)C(=O)c1cc(Br)ccc1I 1126398431 NSDAZOOSJCRQQF-UHFFFAOYSA-N 436.131 4.872 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)NCC3(c4cccc(C(F)(F)F)c4)CCC3)C2)c(F)c1 1148038412 HHQVUHOGNHXASV-KRWDZBQOSA-N 445.460 4.781 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](NCc3cccc(OCc4ccc(F)cc4F)c3)C2=O)cc1 1201970216 GIXQVBSWHGCGKH-RUZDIDTESA-N 447.485 4.701 30 10 IJEE N#Cc1cc(NC(=O)NCc2ccncc2OCc2ccccc2)ccc1OC(F)(F)F 1204206918 DHCSQJNKEAVRMT-UHFFFAOYSA-N 442.397 4.753 30 10 IJEE CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1206776966 APYKCUWBOUCXNL-UPJWGTAASA-N 428.348 4.911 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1)c1ccc(Cl)cc1 1215136947 AEUDKYFPANBHJY-HXUWFJFHSA-N 443.931 4.740 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1252449137 NNMGVSIKGIWWOK-FFZOFVMBSA-N 433.980 4.739 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc(CCN3CCCC3)c2)CCCN1C(=O)OC(C)(C)C 1266278135 LDOYZJLHGJMEST-VWLOTQADSA-N 427.589 4.609 30 10 IJEE O=C(Cn1cnc(-c2ccccc2)n1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1277202382 HIZVZZHQBMBZSW-UHFFFAOYSA-N 446.326 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(OCC)CCCC1 1286279498 VPBIHCOHRREIAX-ZWKOTPCHSA-N 430.980 4.879 30 10 IJEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCSC2(CCCCC2)C1 1286358054 RYIXJOLQBMQPSB-UHFFFAOYSA-N 440.613 4.535 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1cccs1 1286513083 QJGQRGYZUAMTCW-YQVWRLOYSA-N 432.659 4.822 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCSCC=C 1286515175 FKNIDCYQYHAYJY-HXUWFJFHSA-N 431.403 4.619 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](COCC)C1 1286553872 VWTGVOCJXFQEPW-NHTMILBNSA-N 438.616 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCCSC)nnc1C1(c2ccccc2)CCC1 1286566200 MPQGBRLLVQVEIS-IRLDBZIGSA-N 440.657 4.919 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286588012 HZZKBIHBLKWTKE-SJLPKXTDSA-N 445.995 4.914 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H](OC)C2CC2)CC1 1286647644 JRHOKDHAUJWVDS-JOCHJYFZSA-N 445.007 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 1286661175 ALJVQUWQCIOERP-UHFFFAOYSA-N 443.473 4.884 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(CN(CC)CC)c2)CC1 1286662506 NAXBNVNPFLQGLJ-UHFFFAOYSA-N 444.627 4.556 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1286670092 AORGIQPERIPATI-UHFFFAOYSA-N 443.680 4.867 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(C)=O)C1)c1ccccc1 1286677742 IVXMDFUJTDCPAB-GMAHTHKFSA-N 447.583 4.559 30 10 IJEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1286686257 DXSBWDXZUJSFLE-UHFFFAOYSA-N 442.677 4.978 30 10 IJEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2ccccc2C1 1286695358 VILXXEBALXZRIT-UHFFFAOYSA-N 426.362 4.575 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cnccc1OC)C1CC1 1286732248 ODALTPHRAGLHLC-INIZCTEOSA-N 439.947 4.678 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(O)CCCCC1)C1CC1 1286732773 DIEFNHLBYJADQV-UHFFFAOYSA-N 440.588 4.591 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@H]1OCC[C@H]1C 1286750354 YSKOGSFPZCLGIF-XMSQKQJNSA-N 438.597 4.557 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1)C(C)C 1286750989 KPDLXAXNMMRPFW-OAQYLSRUSA-N 445.696 4.959 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286798916 NLUPYEUMTKAGFE-JOCHJYFZSA-N 431.584 4.749 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2ccsc2)C1 1286813406 UORPJHCRAZIDJB-NRFANRHFSA-N 438.597 4.559 30 10 IJEE CC[C@H](C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 1291759242 DXTCARUUSYVXKA-MSOLQXFVSA-N 440.661 4.602 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 1297451863 QSTFFSYNOSUUBH-KRWDZBQOSA-N 432.952 4.970 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1299437520 AFTGHFYIVHQFCR-QUCCMNQESA-N 435.524 4.774 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1CC[C@H](OC)C(F)(F)F 1300790378 ONQWLTQILYVAIV-QFBILLFUSA-N 426.870 4.558 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCCCCC1 1300892748 VFFOKIZHYHUKEX-DHLKQENFSA-N 438.616 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccs1)N1CCCC1 1300918946 NIZDDPARMHZQDH-NRFANRHFSA-N 436.629 4.565 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1301036517 GFCZPOUKNYWGQX-PCCBWWKXSA-N 430.980 4.876 30 10 IJEE C=CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 1301165954 NIIQOYNDZGYIHQ-GOTSBHOMSA-N 435.616 4.647 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1301309598 SYHHSANXTDRQTK-HKUYNNGSSA-N 433.478 4.720 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)COC 1301355489 XIIPADNGBGPSBW-SYYKKAFVSA-N 444.595 4.811 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1cccc(OC)c1OC 1301360217 XVWYNJXAIFJBAR-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1Cc1nnc(CC)s1 1301360247 YYEKTLHJPVSMNP-UHFFFAOYSA-N 436.610 4.970 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC[C@H]1C 1301375731 SANMGKMLGPRZGV-SJLPKXTDSA-N 431.378 4.559 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)c1c(C)noc1C 1301380576 GPIMGEZGIXLYKZ-SFHVURJKSA-N 443.555 4.718 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](OC)c2ccc(Cl)cc2)C1 1301555488 CFKQPFQZDFXQEH-PMACEKPBSA-N 432.996 4.689 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)CC23CCC(CC2)C3)c1 1309006872 HHGNDSCIALJJKG-UHFFFAOYSA-N 426.534 4.771 30 10 IJEE COC(=O)C1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCCC1 1310137673 FNHXKMAEWFWUJL-IBGZPJMESA-N 425.916 4.850 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NCC1(c2cccc(Br)c2)CCC1 1310186443 GYJULEOAQIBRLJ-UHFFFAOYSA-N 428.330 4.963 30 10 IJEE C#CCN(C(=O)Nc1cnn(C(CC)CC)c1CC)C1CCN(C(=O)OC(C)(C)C)CC1 1310671433 MAHYAMDDYUOQIQ-UHFFFAOYSA-N 445.608 4.673 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1)C(C)C 1311388927 RYVSIWNOOJVEET-XMMPIXPASA-N 426.580 4.895 30 10 IJEE CCO[C@@H](CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC#N)CC1)C(C)C 1314069892 ANTKRSLAGFMNHJ-DEOSSOPVSA-N 448.615 4.862 30 10 IJEE COc1ccc([C@H](NC(=O)c2cc(C#N)c(SC)nc2O)c2ccccc2Cl)cc1 1336915798 QTSFMUIKOPJAPX-IBGZPJMESA-N 439.924 4.562 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(C(C)(C)C)cc2)cc1 1357309227 LAMWKJDKRPTVDD-UHFFFAOYSA-N 446.638 4.663 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1358917723 ZEDIVQVARLUKKG-OAQYLSRUSA-N 438.641 4.814 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccsc1 1358986862 JNFNAWQWITWTPQ-UHFFFAOYSA-N 439.588 4.925 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1359004993 RDWRAKGIVZDXOP-NBGIEHNGSA-N 440.588 4.548 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)c1ccccn1 1359064538 VGAXUBOEAZRVOU-AFMDSPMNSA-N 447.558 4.922 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H](C)CCC 1359078571 HREABLJGKHUBDV-CQSZACIVSA-N 437.382 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(CC)CC 1359092698 DTEIVFOENOQMPX-XXBNENTESA-N 436.556 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(CC)C1 1359107940 YKNAYGRRKOVHPQ-RTBURBONSA-N 432.012 4.816 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)C2(CCC2)C1 1359121977 QHLXMHMDCMXJJP-IBGZPJMESA-N 443.636 4.985 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@@H]1C 1359127049 GTDZBHAQYQDURX-IRXDYDNUSA-N 437.009 4.606 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 1359203525 QRGREKFUHTUZLY-NHCUHLMSSA-N 440.563 4.767 30 10 IJEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCSC3(CCCCC3)C2)cc1 1359308059 CDSDMJVCPGHGPP-UHFFFAOYSA-N 442.629 4.684 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(-c3cccc(Cl)c3F)no2)cc(OC)c1OC 1434919533 KKOIJHKDSMUXCX-UHFFFAOYSA-N 430.863 4.810 30 10 IJEE COc1ccc(-c2ccc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)nc2)cc1Cl 1436107556 BCSNSEFCRIXCMQ-OAQYLSRUSA-N 432.911 4.890 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(Br)cc1C 1454653702 DKBIESRBZKRIOT-MOPGFXCFSA-N 449.389 4.728 30 10 IJEE C=CCSCCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 1458830734 GOSLDHBZIMXKRH-URXFXBBRSA-N 438.593 4.523 30 10 IJEE C=CCOc1ccc(CN(CC(=O)Nc2ccccc2C(=O)NC(C)C)C(C)(C)C)cc1 1459745974 HHSCMWYCMMOKHT-UHFFFAOYSA-N 437.584 4.629 30 10 IJEE N#Cc1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1Br 1459966048 HMJPWIDDIGQIQK-UHFFFAOYSA-N 442.704 4.685 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCc1ccc(OC)c(OC)c1 1466816939 QMZQISQWTRIUQY-UHFFFAOYSA-N 449.345 4.785 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 1470667135 PKQJATVUGFAURO-ZWKOTPCHSA-N 428.813 4.595 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Sc2ccccc2)c(C(=O)OCC)c1 1476322820 OJIDYRQWJSFCRA-UXHICEINSA-N 426.538 4.870 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1F 1477344940 DGZAOOPIAWXSMR-FGZHOGPDSA-N 436.918 4.775 30 10 IJEE C#CC[C@H](NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)c1ccccc1 1478244969 CKFNHDZIVKFBRO-GOTSBHOMSA-N 439.600 4.820 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C)c1ccc(F)c(F)c1 1478472831 VIYZMXGHCUCNHP-VQTJNVASSA-N 432.421 4.683 30 10 IJEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccc(Cl)s1 1495749358 CHVNVVRUIKQQNU-MRXNPFEDSA-N 441.004 4.753 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cccnc1OCCCC 1507519563 SLHQNHWDBSLKOX-NRFANRHFSA-N 443.595 4.828 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(NC(C)C)CC1 1507555632 UQFKFQRBFQYUMN-UHFFFAOYSA-N 430.600 4.572 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC1(C)C 1507562280 IWLNPAULJNXCMQ-UHFFFAOYSA-N 431.378 4.899 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](OC)C(F)(F)F 1507682006 FXCVXUVFWQMAPY-GOSISDBHSA-N 440.535 4.702 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1507858530 FSDZOXNYBLAGKU-STQMWFEESA-N 443.798 4.527 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@H]2CCCCO2)CC1 1507880188 HXULUNZBZAPAOT-OAHLLOKOSA-N 437.407 4.885 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccc(F)c2)CC1 1507909536 JEYYZVSZDISNJG-FGZHOGPDSA-N 426.580 4.981 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)CCC(C)C 1507975991 ZIWQOYBFMQKNIR-NRFANRHFSA-N 435.410 4.825 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1cccnc1OCC 1508005737 UZVZPERJBPLXPL-UHFFFAOYSA-N 444.514 4.514 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2ccc(Cl)nc2C1 1508048051 IGZLRNDFQKDAND-AWEZNQCLSA-N 430.339 4.869 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1 1515631973 DCVKYZVUJATKJC-UHFFFAOYSA-N 434.613 4.779 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(F)ccc1OC)c1ccc2c(c1)OCO2 1521283740 HJGWSKGVSRFCFN-UHFFFAOYSA-N 435.451 4.975 30 10 IJEE C#C[C@@H](NC(=O)[C@]1(CC=C)CCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1 1525053968 HUXGVYDULHRENR-GCJKJVERSA-N 447.373 4.585 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C 1527807332 ORYAOTDULOYPCH-OAQYLSRUSA-N 440.353 4.861 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2cc(Br)cnc2Br)c1 1528137161 CKNFYVCXDUKSKI-UHFFFAOYSA-N 426.108 4.814 30 10 IJEE C#C[C@@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1ccc(Cl)cc1F 1528523469 MYAWTXAAXNXHFO-QGZVFWFLSA-N 429.282 4.695 30 10 IJEE C=C[C@H](COC)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1529848727 FTJFBJJNUSUCQV-QGZVFWFLSA-N 449.498 4.513 30 10 IJEE Cc1cc(C(F)(F)F)n2nc(C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)cc2n1 1530284397 CXJBSMYSMICCSX-UHFFFAOYSA-N 441.438 4.587 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)NCC)c2ccccc2n1 1535581989 XAFTZWQNEIVSLV-UHFFFAOYSA-N 443.425 4.820 30 10 IJEE C=CCn1c(SCC(=O)NCC[C@@H]2CCCC2(F)F)nnc1-c1ccc(Cl)cc1 1536402298 ZPUYLBLMFLHCNE-HNNXBMFYSA-N 440.947 4.818 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)C(=O)OCC 1536578844 ODUMCIFEEORQJZ-QFIPXVFZSA-N 434.540 4.615 30 10 IJEE C#Cc1ccc(NC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)c(Cl)c1 1537029686 ANQAKDIVZQHGKO-UHFFFAOYSA-N 429.904 4.676 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Oc2c(OC)cc(C(C)=O)cc2OC)s1 1537346272 FQVVSWOWYSZFTF-UHFFFAOYSA-N 441.958 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1539624985 XQGNJXNYEREJKJ-HKUYNNGSSA-N 433.021 4.912 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@](C)(O)c1cccs1 1539660373 ZSYXMQIWJZRPAE-XMMPIXPASA-N 433.581 4.865 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@@H](c1ccccc1OC)N1CCCC1 1539661865 LVMJKJRIMGQXEF-QHCPKHFHSA-N 446.599 4.588 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)cc2F)[C@H](c2ccccc2Cl)C1 1539702352 BSACIJPYRPKLBJ-FQEVSTJZSA-N 443.906 4.785 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2csc(C)n2)CC1 1539829456 ZBSDMBDZJZXGTD-MRXNPFEDSA-N 427.549 4.721 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCC(C)CC2)CC1 1539874762 PCBAQVIJUCQDNO-HXUWFJFHSA-N 441.595 4.692 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccncc2)CC1 1539875564 TVBKRLQLJXVFNA-UHFFFAOYSA-N 425.483 4.587 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@H](C)C1 1540126901 AHELIOUCBVDOIB-RDPSFJRHSA-N 426.568 4.764 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCCCCC1 1540135808 BDDPAAAQXFEKCZ-OAQYLSRUSA-N 442.579 4.589 30 10 IJEE C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCCN1C(=O)OC(C)(C)C 1544516988 GEZPQUJOHSOFGQ-NVQXNPDNSA-N 441.616 4.594 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nccs2)CC1 1555996035 HNQLQTYAMZNVIQ-UHFFFAOYSA-N 433.368 4.887 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1556781998 UCERGJDVBVCSHL-KGVIQGDOSA-N 449.389 4.713 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1COc2cccc(Br)c2C1 1565259449 ZHAZDDBJBOUTDL-GFCCVEGCSA-N 441.778 4.865 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)CC1 1565296269 NDUQJYYVCKWJFI-XYWHTSSQSA-N 430.552 4.899 30 10 IJEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1583036716 HJFNYIIZXKMHCW-QHCPKHFHSA-N 426.582 4.689 30 10 IJEE N#C[C@H]1CCC[C@H](OC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1584702607 FHPDSSNVVSHMCI-YWZLYKJASA-N 446.425 4.962 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)nc1 1585319890 BAMRZVFXZGBYHQ-UHFFFAOYSA-N 436.302 4.684 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)CN1CCCCC1 1587679299 ZSHWJXYKNGBBQB-MOPGFXCFSA-N 446.064 4.804 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2CC2(CCC)CC2)c1 1587697055 IVLJHAYODSTWMF-UHFFFAOYSA-N 447.608 4.567 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCSCC(C)C 1588089780 PBTSAEYLINNHMI-UHFFFAOYSA-N 445.636 4.815 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1588289087 XBNQVNZQYFWQAZ-QZTJIDSGSA-N 446.014 4.954 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)[C@H](C)C1 1589570415 VAFRLKRVFWEKBN-DYZUWXGSSA-N 438.616 4.937 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Br)cs2)CC1 1594236713 GWQFRPUMPFGMOR-QGZVFWFLSA-N 437.407 4.794 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1594408198 FTCFUMJQUAVGRX-DEOSSOPVSA-N 443.680 4.550 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OCCC)nc1 1594895821 PBAJLOYGODMGBW-QGZVFWFLSA-N 437.613 4.986 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1Cl)N(C)C 1594914057 UYBXTBQHLAYQPZ-GOSISDBHSA-N 431.371 4.572 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC1)C1CC1 1595021290 WSQNESIBDVHPGW-ZWKOTPCHSA-N 430.980 4.880 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1csc(CC)n1 1595366733 LAXIXWQJDVXOQN-UHFFFAOYSA-N 436.354 4.688 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1595442532 QTXXMWAAIDPGFJ-RUZDIDTESA-N 426.605 4.982 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)CN2CCCCC2)c2ccccc2n1 1611933480 GHWYZLJCMSAFJA-FPOVZHCZSA-N 445.615 4.662 30 10 IJEE N#Cc1ccc(N2CCC[C@@H](Sc3nnc(Nc4cccc(F)c4)s3)C2=O)cc1 1613358822 BCTARWRZYJUHAY-QGZVFWFLSA-N 425.514 4.580 30 10 IJEE C=C(C)[C@H](NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)c(F)c1 1617338888 NKNLWSOSECWSGV-UPVQGACJSA-N 447.957 4.778 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)cc1OC 1618111028 LPSGBLJVISLSTP-ZOBSEURRSA-N 437.536 4.781 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(Br)c(Cl)c2F)c(OC)c1 1623637700 QXQBJPOEGAOISX-UHFFFAOYSA-N 428.685 4.996 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)ccc2c1=O 1624108177 OPAHBBTXERWYOP-UHFFFAOYSA-N 429.501 4.916 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)cc2n1 1626676298 WLYUHYMSZYIBNM-OAQYLSRUSA-N 439.357 4.760 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc1OC 1626692262 LVRJHASBLBPGNN-KTZABMDBSA-N 429.557 4.634 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc(OC)c1OC 1627547429 RCCUQVLRNAZCGZ-UHFFFAOYSA-N 438.911 4.548 30 10 IJEE Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 1635327950 FXINWJXJXZMVLP-UHFFFAOYSA-N 437.971 4.858 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 1637261401 WNWSWAXNWDVDGW-HOTGVXAUSA-N 429.344 4.706 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)c1 1637924306 DEKYAKPUYNLUCC-NQIIRXRSSA-N 429.969 4.593 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(Cl)cc1 1642103319 VFDDYLHUTRRTJD-MJGOQNOKSA-N 434.870 4.675 30 10 IJEE Cc1cc(C2(NC[C@H](O)COc3ccccc3C#N)CCCCC2)ccc1Br 1646214385 ADSIGCNQVOEKFK-FQEVSTJZSA-N 443.385 4.818 30 10 IJEE C#Cc1ccc(NC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)c(Cl)c1 1648155225 AXULSTCWJYBTKR-UHFFFAOYSA-N 436.986 4.636 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCN(Cc3ccccc3)C2)cc1OC 1655264451 FANYFOVUUZUWSW-HXUWFJFHSA-N 445.401 4.777 30 10 IJEE C#C[C@@H](NCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1F 1659187726 PZRQDSIRALHQLK-HSZRJFAPSA-N 429.923 4.606 30 10 IJEE CC[C@H](CN(C)S(=O)(=O)CC1(C#N)CCCCC1)Oc1ccc(Cl)c(Cl)c1 1662827528 DNWMYZMXICZGDC-OAHLLOKOSA-N 433.401 4.886 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)cc1 1664522717 BVNTTWMCWSJFLD-LBPRGKRZSA-N 430.314 4.885 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1 1666343198 WBZDTBPSNDWYIF-MOPGFXCFSA-N 429.561 4.752 30 10 IJEE CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@]1(O)CCCOC1 1667397762 GPXVAMNVNDVPQQ-GBXCKJPGSA-N 441.959 4.685 30 10 IJEE C=CCCCCCN(C)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 1667423720 PJKZHJWXZJNVSG-UHFFFAOYSA-N 429.405 4.940 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 1667631635 SNTUFBCHCDRUHQ-UHFFFAOYSA-N 428.554 4.945 30 10 IJEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@@H](CO)c1ccccc1OC(F)(F)F 1668452437 HCGMACPBJGTCSD-ZDUSSCGKSA-N 426.288 4.598 30 10 IJEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 1672205820 BAMVAADVDKMIQM-FQEVSTJZSA-N 441.373 4.521 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)c1 1674217325 PSVNHVMOYYLWQK-LJQANCHMSA-N 440.563 4.805 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 1675444951 FTNCZBSXWHHFHG-TZRRMPRUSA-N 436.987 4.958 30 10 IJEE C=CCC1(NC(=O)NCc2ccc(Oc3c(OC)cccc3OC)nc2)CCCCC1 1677274959 JYPLELBPMUGHHX-UHFFFAOYSA-N 425.529 4.969 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(C(F)(F)F)cc1 1680854077 BPBPOGGGQFFESJ-PMACEKPBSA-N 449.448 4.957 30 10 IJEE C#C[C@@H](NC(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1)c1ccc(Cl)cc1F 1682366776 ILXDSIZXDLKUOC-NFBKMPQASA-N 428.935 4.895 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 1683676519 OODWRDABMHHIFR-RUZDIDTESA-N 445.513 4.756 30 10 IJEE C=C1CCC(CNC(=O)N2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)CC1 1685165993 IBOHMVAPRAYKRQ-NRFANRHFSA-N 431.621 4.944 30 10 IJEE C#C[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1)c1ccccc1 1686919500 HACRFTDVZBSQLN-GBXCKJPGSA-N 432.545 4.797 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@@H]1C 1690221979 FYOZLBJIECVWIC-KOLCDFICSA-N 446.212 4.912 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1690224271 IPVBLHOAQMSMIX-UHFFFAOYSA-N 444.160 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1CC 1690236698 PUYSDYGSSIVQDM-FCEUIQTBSA-N 437.588 4.507 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 1690343794 DHJXWSRUWSFUDJ-LJQANCHMSA-N 446.979 4.632 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@@H](OCC)C(C)C)CC1 1690369237 CQFMHLZJADKPQP-HXUWFJFHSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1690398704 FDIXPHDFIRYRPB-VGSWGCGISA-N 444.023 4.814 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)c2nccs2)CC1 1690415243 DNCNRBVOPMQWLL-INIZCTEOSA-N 427.549 4.659 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCC[C@@H]1C)C1CC1 1690538870 QRPOYBHDCHJKMO-IRXDYDNUSA-N 426.561 4.562 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1690565405 IYORYXYNZYUWCO-ZLNRFVROSA-N 438.616 4.816 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)c1ccccc1 1690571975 OYFRFHZCILCXPZ-HXUWFJFHSA-N 449.624 4.962 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccncc1 1690574125 PHSQGBSIXOTENF-UHFFFAOYSA-N 446.536 4.745 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)c(OC)c1 1690578398 WGQDTZJEBDBIEM-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCC[C@H](C)C1 1690600863 HKVBYOKGGPSBAI-BHDDXSALSA-N 443.680 4.886 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCc3ccc(Cl)nc3C2)cc1 1690679993 FSKMRSAZARSCNG-UHFFFAOYSA-N 437.975 4.701 30 10 IJEE Cc1ccc(SCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1693162860 CFLWEANWYFLODR-NFBKMPQASA-N 425.602 4.751 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H]2CCCCO2)cc1 1693166251 IFKSGCXZGNDJFT-HYBUGGRVSA-N 439.629 4.968 30 10 IJEE Cc1cccc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC[C@@H]2C)n1 1693204497 BLUSWPLOTIPTHM-FPOVZHCZSA-N 444.583 4.690 30 10 IJEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](SC)C(C)(C)C 1705600694 JBENMANQGPZMNX-QFIPXVFZSA-N 433.625 4.522 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN(CC)CC 1705670638 CYDGYYSKMKUHLB-JOCHJYFZSA-N 434.415 4.976 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccc(OCC(C)C)cc1 1705676112 NEOAHCYHPBXNIU-RUZDIDTESA-N 449.624 4.709 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1705683288 CSFJUMBGYBBZCL-DLBZAZTESA-N 437.357 4.633 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705712324 QBBMMKVLPVYNIQ-AREMUKBSSA-N 435.616 4.656 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1705727266 QSUQZOJZJHWCQF-UHFFFAOYSA-N 447.583 4.801 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCC(C)CC2)CC1 1705784562 AEUGSCUCVJVELJ-UHFFFAOYSA-N 437.632 4.608 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1705791536 YNTFMCBQFSPYNO-AZUAARDMSA-N 443.567 4.704 30 10 IJEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1705832217 QQEUDTRVRZGXJI-VLCRHTCISA-N 428.552 4.604 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCc1ccncc1 1705868625 VIDOTLQPEOTVJR-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2sccc2C)C1 1705914936 GZWXFRRVWRAQAJ-FXAWDEMLSA-N 442.560 4.757 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CCOc2ccccc21 1706462652 FZJBWDBBONDOHC-NRFANRHFSA-N 444.583 4.596 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1722451965 QJYUZIUAOLFHMY-WFXMLNOXSA-N 428.577 4.693 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CSc2ccccc21 1722502306 TUUNGUSKRIYDFN-DVECYGJZSA-N 442.629 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1c(F)cccc1Cl 1722510304 SYVRULBXEMCXDH-FVJLSDCUSA-N 448.970 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(Cl)s1 1722515795 YUTRJLYPGJJSHJ-UHFFFAOYSA-N 426.977 4.682 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C)C1 1722530798 JQYYFNINOFACGX-AWEZNQCLSA-N 439.785 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1722561788 YYBZXQUDHIHWEP-FQEVSTJZSA-N 437.632 4.951 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722630365 YSNJIMUSACIMCY-CALCHBBNSA-N 438.950 4.843 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(C(=O)NCC)CCC1 1722667740 IHVYEIBSBRQEGQ-UHFFFAOYSA-N 448.398 4.737 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC=CCO1 1722672997 FBBCLEKEVDWSEI-OAQYLSRUSA-N 435.959 4.574 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)CC1CC(F)C1 1722734810 JNONVKXFQMDXIE-UHFFFAOYSA-N 439.398 4.811 30 10 IJEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 1740573191 MEWWPLZNUPAJDV-UHFFFAOYSA-N 440.954 4.503 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1740574772 LCWWFUKQDDLGSO-RSXGOPAZSA-N 443.595 4.672 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1740582599 FTWLLAPNYSIANE-OAHLLOKOSA-N 442.361 4.655 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCC[C@@H]1OC 1740648573 MQQAYWFUBSNXEK-JXFKEZNVSA-N 431.367 4.530 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 1740673574 ZFZZPUIXDXSOFJ-DHLKQENFSA-N 433.644 4.771 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H]1CSC 1740722187 FLCZVCCXURSTKY-GOSISDBHSA-N 432.684 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1ccccc1OC(F)F 1740733977 USMGBPPMNTZGCO-HSZRJFAPSA-N 442.535 4.767 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cc(C)no1 1740770149 IKUGQPLCBGMYFZ-UHFFFAOYSA-N 433.512 4.864 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCSCC2)cc1 1740772459 JABCIUHBDFIVSP-JOCHJYFZSA-N 441.645 4.524 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1N(C)CCCC1(C)C 1740777307 UMLSNAHJQDQEAD-HSZRJFAPSA-N 439.648 4.997 30 10 IJEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)CC(C)(C)C1 1740782300 LRKYXYYWZIZTDH-GOSISDBHSA-N 431.625 4.841 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2ncc(CC)s2)CC1 1740826412 JNDKPXAFOFIEBX-UHFFFAOYSA-N 428.005 4.940 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1740842093 MMEOYBUGWKAYRY-HSZRJFAPSA-N 449.599 4.772 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1740842094 MMEOYBUGWKAYRY-QHCPKHFHSA-N 449.599 4.772 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1740848390 JRMIAJCDNBFXIR-QUCCMNQESA-N 430.980 4.616 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1740880210 UQSBBQFFDPOAIG-FQEVSTJZSA-N 426.952 4.552 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(OCC(F)(F)F)nc1 1740901776 KFMRYMCMRJAYMA-UHFFFAOYSA-N 431.462 4.514 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1CC 1740919410 FKRCOTQMJFHGFO-MOPGFXCFSA-N 427.568 4.574 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCS2)C1 1740974064 BJAVMXHKNDMQSW-CVEARBPZSA-N 439.412 4.929 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCCS2)C1 1740974066 BJAVMXHKNDMQSW-HOTGVXAUSA-N 439.412 4.929 30 10 IJEE C[C@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCCCC1 1741787480 FMTFBLCUEUTWDC-LJQANCHMSA-N 432.572 4.872 30 10 IJEE C[C@@H]1CCCN(C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC(CC#N)CC2)C1 1743068166 GOPHBYMWKQQKCD-JOCHJYFZSA-N 448.659 4.704 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1748723978 FTCCDRKKUGENSB-OALUTQOASA-N 443.389 4.515 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(CC)Cc1ccc(Cl)s1 1748724556 FINXWNWVTPSEMI-UHFFFAOYSA-N 431.009 4.685 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(COC)CCCCC1 1748779386 IIRMKHCXRPDVPY-UHFFFAOYSA-N 449.368 4.513 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1748781112 XVJWUWDMJARTOZ-FQEVSTJZSA-N 430.618 4.590 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C(C)C 1749424633 LZOUKGFHYGSWPB-NRFANRHFSA-N 434.588 4.656 30 10 IJEE C=CCCCn1c(COc2ccccc2OCC)nnc1N1CC[C@]2(CCSC2)C1 1749438048 PKGBZRVSNLHRAZ-QHCPKHFHSA-N 428.602 4.555 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1749547622 VFAUSNSRCQXZAN-PMACEKPBSA-N 425.596 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760099507 HSTSUQNNBIYOAU-AZUAARDMSA-N 439.604 4.581 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C2CCCC2)CC1 1760159891 RUKBOPCTBFMNHO-UHFFFAOYSA-N 437.657 4.747 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 1760220303 YXXFKWWURLZHLL-HXUWFJFHSA-N 434.481 4.951 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1760278560 YNLOXTRTJJCSSS-PMACEKPBSA-N 445.032 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccnc1OC 1760291659 XMOUIWNMHFZYCQ-AREMUKBSSA-N 429.568 4.687 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](C)(CC)C1 1760324961 NJCZKRKFTWSDPX-CVJWPJSTSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(CC)CCC1 1760337233 OLYMKWGCMJFUGV-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760378353 HWZFFZURZVWTSM-FXAWDEMLSA-N 444.988 4.946 30 10 IJEE C=C(Cl)Cn1c(N2CCC(C)(c3ccc(C)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1760388422 SRHXWPKDGQVWJR-DEOSSOPVSA-N 445.007 4.549 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C2CCCCC2)N(C)C)CC1 1760393116 JHFMWVPAFOETTR-JOCHJYFZSA-N 441.595 4.663 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCS[C@H](C(C)C)C1)c1ccccc1 1760417876 JTYBMCSVOHZSJQ-IRLDBZIGSA-N 434.613 4.673 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1760442206 JPRJBBMLMLSQLB-UHFFFAOYSA-N 449.571 4.642 30 10 IJEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1cccc(C(F)(F)F)n1 1760455407 OSULKCXYKWZPPH-UHFFFAOYSA-N 427.474 4.832 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@@H](OCC)C(C)C 1760458345 YQBHQDNTEQNWMK-CQSZACIVSA-N 427.412 4.843 30 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C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 1861889402 RJYMIKZGBBNSAO-IBGZPJMESA-N 436.943 4.592 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862431010 XIDZINRVTFYVEX-NRFANRHFSA-N 444.934 4.789 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cc(Br)ccc1F 1862440106 JDLAFLAKQWPBEH-INIZCTEOSA-N 438.680 4.840 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)c1 1862470223 IJEWYSFTXPVSIR-LJQANCHMSA-N 444.325 4.692 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1O 1862481086 WOGFPYJSTHOUSJ-BTCOZLQPSA-N 435.520 4.866 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc3cc[nH]c3c2)cc1 1862533857 MBIOXHKHYTVXGG-XMMPIXPASA-N 437.499 4.904 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2cccs2)cc1 1862626112 VFLPQFXDUILUFM-NRFANRHFSA-N 433.485 4.564 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccccc2)cc1F 1862636688 MFXCXDNGAMQFKU-NRFANRHFSA-N 437.492 4.717 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862718122 TYQAOYOFYGDSOJ-JOCHJYFZSA-N 430.460 4.982 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3Cl)=C(c3ccc(F)cc3F)C2=O)c1 1862946651 YYRZFQNOXMJJCH-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCC(C)C)cc2)=C(c2ccc(Cl)cc2)C1=O 1863174561 JYJPPBOOZAXUKP-UHFFFAOYSA-N 438.911 4.531 30 10 IJEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)CCCOc1ccc(Br)cc1Cl 1866315141 WLVHIGOBWZALBX-CYBMUJFWSA-N 436.737 4.538 30 10 IJEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CSCc1ccccc1 1870255517 QHTMXRZHJSLDSK-FQEVSTJZSA-N 448.588 4.724 30 10 IJEE COc1ccc(OCCOc2cc(C)c3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871414452 HXLLINYGMWMKJU-CFRMEGHHSA-N 446.455 4.806 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccccc2)C3=O)c(OC)c1 1871419439 GVBGGMFVJRSEPB-FMCGGJTJSA-N 445.471 4.646 30 10 IJEE CCOC(=O)c1c(NC(=O)COc2ccc3c(c2C)OC(=C(C)C)C3=O)sc(C)c1C 1871434528 VLRQFXDTCFVXHH-UHFFFAOYSA-N 443.521 4.737 30 10 IJEE C=CCN(CC=C)c1nc(=NCCc2ccc(C)cc2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488184 PKMHBHYURMUIBA-UHFFFAOYSA-N 449.002 4.562 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1 1872613369 PRYGRVHGYZJDLA-NRFANRHFSA-N 428.614 4.776 30 10 IJEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)[C@H]2CC(=O)N(C(C)C)C2)n1 1872777626 RVSQLEDTRAWBAD-YJBOKZPZSA-N 439.581 4.549 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2C#N)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 1873868755 PRKWJPUKHFYMFR-UHFFFAOYSA-N 438.483 4.890 30 10 IJEE CCCSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc(CC)cc1 1874211548 SAMUQMYJVLMAOJ-SYOQMXFQSA-N 447.608 4.741 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cn(C)c2ccccc12 1874219738 BIYTYLJBKXZLCF-PCLIKHOPSA-N 449.580 4.784 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(N(C)C)cc1 1874230652 VBHZYWNJLUHZDQ-YDZHTSKRSA-N 429.977 4.879 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cc(Cl)ccc1O 1874297123 LSUFSYRLLIZQHA-SSDVNMTOSA-N 443.916 4.687 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCC(=O)OC)nnc1-c1ccccc1Cl 1874365667 OIOVBAYQZNSZIX-YDZHTSKRSA-N 444.944 4.535 30 10 IJEE COc1ccc2ccccc2c1/C=N/n1c(SCCCO)nnc1[C@H](C)c1ccccc1 1874399772 VZWFIAONQCTCOE-WNIQNGNASA-N 446.576 4.948 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2cccs2)n1/N=C/c1ccc(F)cc1 1874424190 ZAIQDMUIJKOZKT-OEAKJJBVSA-N 445.589 4.769 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccc[nH]2)c(C)c1 1874429865 GJSJSBYVSMZWRA-AFUMVMLFSA-N 430.537 4.503 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2[C@H]2CCCO2)c1 1874443636 HJAPBSJFWAVMJI-PFRKPPGBSA-N 449.580 4.668 30 10 IJEE Cc1ccccc1/C=N/n1c(CC(C)C)nnc1SCC(=O)N[C@@H](C)c1ccccc1 1874492249 FVSDGHVBMVJNGP-QVWJKXSPSA-N 435.597 4.637 30 10 IJEE O=C(/C=C/c1cccc(OCc2nc(O)c3ccccc3n2)c1)c1ccc2c(c1)OCO2 1874597259 BZMUMZFRRKDRHY-CSKARUKUSA-N 426.428 4.539 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 1874615723 NKIMLJWGLRDHRL-XVNBXDOJSA-N 437.279 4.703 30 10 IJEE 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C=C(CCNC(=O)OC(C)(C)C)CNCc1c(Br)cccc1Br 1991586325 PHPQYEFVORKSQK-UHFFFAOYSA-N 448.199 4.772 30 10 IJEE Brc1ccc(N=C2N[C@@H](C3CC3)CCS2)cc1I 2029985474 QRVOFEZYHZNAQZ-GFCCVEGCSA-N 437.144 4.546 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCCB3OC(C)(C)C(C)(C)O3)CC2)C1 2073338661 XKVNCHLJUOBNHL-FQEVSTJZSA-N 436.446 4.828 30 10 IJEE CC[C@H](c1ccc(C)cc1C)n1nc(C2(C)CC2)c(/C=N/O)c1I 2079059862 BHQYTALNAQYRMC-BTZNOAQDSA-N 437.325 4.964 30 10 IJEE Cn1nc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2F)c1I 2080760621 SDYHJDCSFFXWQU-UHFFFAOYSA-N 438.084 4.868 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@@]1(C#N)CCOCCC1(F)F 2097097481 SXMCDKBSHAPNMM-QGZVFWFLSA-N 431.277 4.899 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(O)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2111472149 PXOPBUPPIDTPJH-HZFUHODCSA-N 448.651 4.791 30 10 IJEE N#Cc1cc(Cl)ccc1N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2162288428 RVZWBBQFYQHTKM-HXUWFJFHSA-N 425.916 4.584 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](Cc2ccc(F)c(Br)c2)NCC)C1 2183007939 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438.296 4.682 30 10 IJEE CCc1nnc(SCc2c(F)cccc2Cl)n1N=Cc1ccc(OC(C)=O)cc1 2326570116 ZGUBAINUKRQRKJ-UHFFFAOYSA-N 432.908 4.733 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1N=Cc1ccc(C(=O)OC)cc1 2326589270 GXWQFEBIEWOBHI-UHFFFAOYSA-N 444.560 4.997 30 10 IJEE CCc1ccc(C=Nn2c(CCCOc3cccc(C)c3)nnc2SCCCO)cc1 2327029933 NNWYEQSDBCKBRO-UHFFFAOYSA-N 438.597 4.517 30 10 IJEE CCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(OC)cc1OC 2327635746 GCJJUCSHPZKULO-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2ccncc2)cc1 2328573392 GWCHUGMAQZXFCV-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE CC(=NO)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1 2329943700 BPERZIDNFAWMCG-UHFFFAOYSA-N 437.477 4.962 30 10 IJEE O=C(CSc1nnc(Cc2ccccc2)n1N=Cc1ccccc1)Nc1ccc(F)cc1 2330465271 LZOIPPGCROHWCH-UHFFFAOYSA-N 445.523 4.621 30 10 IJEE C=CCSc1nnc(-c2ccccc2)n1N=Cc1cc(Br)c(O)c(OC)c1 2330678542 KIQCHSMWQNIDPL-UHFFFAOYSA-N 445.342 4.582 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2 2330979573 HKZBABGORGJFCN-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE COc1ccc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)cc1 2330994408 WIEWMNXPTSHCDZ-LJQANCHMSA-N 428.945 4.966 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccc(O)cc2)c1 2331019345 OJGACJYNDHGLDC-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE O=[N+]([O-])c1cc(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CCCC2)ccc1O 2331031052 RLVNHLLECCBKPO-UHFFFAOYSA-N 441.488 4.863 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)c1C 2331172928 PLRHLVXWEBCPME-UHFFFAOYSA-N 449.511 4.907 30 10 IJEE COc1cc(C=Nn2c(SCCc3ccccc3)nnc2C(C)(C)C)cc(OC)c1O 2331397894 FAVZMMOBJUERGK-UHFFFAOYSA-N 440.569 4.515 30 10 IJEE COCc1nnc(SCCc2ccccc2)n1N=Cc1cc(Br)ccc1F 2331579825 KWRQUZSELWEUML-UHFFFAOYSA-N 449.349 4.543 30 10 IJEE CCOc1cccc(C=Nn2c(COC)nnc2SCc2c(F)cccc2Cl)c1 2331616322 HRSNCFZEPGFWPZ-UHFFFAOYSA-N 434.924 4.790 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1N=Cc1ccccc1F 2331637237 XEJLMTCHQLHXBQ-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccc(Cl)c1 2331659385 VTTYLKXOLGMLPE-UHFFFAOYSA-N 438.944 4.707 30 10 IJEE C[C@H]1C[C@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339542193 XUTZEDKKYFJOOB-PKOBYXMFSA-N 443.397 4.784 30 10 IJEE N#C[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]2[C@@]1(C#N)C(=O)c1ccccc1 8768251 JPOKHAFLHATZSZ-ICCROSPGSA-N 447.469 4.951 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O 9085638 HPJNJLVBNAYCAA-HUUCEWRRSA-N 427.957 4.594 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC(=O)c2ccccc2OC)c1 33442322 FJNYTYLIQLWGIO-LCYFTJDESA-N 448.471 4.836 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)OCc3ccccc3)cc(C)c2C1=O 41432584 MOLCJNDEKFEQSL-QRVIBDJDSA-N 430.456 4.742 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1 59891343 YVVJEFCWGJPNAU-WYMPLXKRSA-N 444.483 4.802 30 10 IJEE CCN(CC)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)cc1 62993140 AYLYTTOTKROQDF-QFEZKATASA-N 441.531 4.896 30 10 IJEE CCOc1ccc(/C=N\n2c(COc3ccccc3)nnc2SC)cc1Br 169916470 UIBXXDITDYNFFW-MTJSOVHGSA-N 447.358 4.622 30 10 IJEE CCCOc1c(OC)cc(/C=N\Nc2nc(-c3ccccc3OC)cs2)cc1[N+](=O)[O-] 169940944 JZMZFGHIZBZKMU-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccn1 169994111 WTHWGLCPHMOTQC-OAQYLSRUSA-N 448.862 4.555 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccccc2)cc1 170029035 SGDBPEFUAPMPJB-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1c[nH]c2ccccc12 170076774 VUENPPXDBYPHDW-HSZRJFAPSA-N 442.471 4.856 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C4CCCCC4)[C@@H]3c3ccc(O)cc3)ccc2O1 170135743 FVTDKICZYJRFIL-IQMFZBJNSA-N 433.504 4.627 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCN(C)C)c1 170146079 RQJOOLIREIOUDX-DEOSSOPVSA-N 428.532 4.678 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccn2)s1 170173725 BWHJPTJYYUOXKZ-QGZVFWFLSA-N 425.897 4.591 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccccn2)c1 170176503 OHRPBJWNZYRXNV-NRFANRHFSA-N 436.414 4.541 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccnc2)c1 170189928 OIUABWHPRMIUAL-HSZRJFAPSA-N 444.487 4.667 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1ccncc1 170205593 ZMLYTAFGDBQMKS-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCC)cc1 170216049 OKXQEEFZMXAGOH-NRFANRHFSA-N 438.480 4.762 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(F)cc2)c(OC)c1 170240154 PQLPGEBSWWASLO-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C(C)C)cc1 170244630 CTSDQCLSJYLFIB-HSZRJFAPSA-N 437.536 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1OC 170249080 BBQALBBGVCFIIB-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(O)c2)c1 170258639 VMLCVTNIYCJJRJ-VOIUYBSRSA-N 441.483 4.807 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(CC)cc2)cc1C 170266985 JPBISFBMXLCTFR-QHCPKHFHSA-N 437.536 4.571 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccc(C#N)cc2)o1 170305292 NUMBTBHVHLUDEU-HSZRJFAPSA-N 440.455 4.568 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC(C)=O)cc1 170320508 PQHLSRGHMYCWPM-LJQANCHMSA-N 448.302 4.907 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OCC)cc2)cc1 170361246 QNYGADWYSOKUTA-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3c(F)cc(F)cc3s2)[C@@H]1c1ccc(O)cc1 170450952 OXCZVIPYBQMTTD-QGZVFWFLSA-N 444.459 4.795 30 10 IJEE Cc1nc(COc2ccc(/C=C\C(=O)N[C@H](C#N)c3ccc(F)cc3F)cc2)cs1 208413723 YODOZZKTVDYNQU-ZDOMYAHNSA-N 425.460 4.703 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1C12CC3CC(CC(C3)C1)C2 253567214 JWAJTFJDXJBZOB-UHFFFAOYSA-N 438.597 4.671 30 10 IJEE Cc1csc(Sc2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2Cl)n1 443322612 UOGZXJQUNFVOIR-UHFFFAOYSA-N 449.001 4.641 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 476803017 YDHGWVWNASLDJF-UHFFFAOYSA-N 449.580 4.650 30 10 IJEE C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 478999396 VDWBOAJSWSESAW-OAEOJWKDSA-N 443.934 4.984 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nnc(-c2ccc(C#N)cc2)o1 481395782 DEKWJCDVAMXKKP-UHFFFAOYSA-N 444.520 4.566 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2)cc1 490043478 CEFOVIDYEUDRBB-VWLOTQADSA-N 448.482 4.590 30 10 IJEE CC(C)c1ccc(/C=C/CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc1 491481638 ZIIDYDQORQISQI-HWKANZROSA-N 445.542 4.741 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1Cl 500996545 KNOPJQUGUUPOAT-QGZVFWFLSA-N 448.914 4.599 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 503063292 FVXNJJYNFYGMAR-HSZRJFAPSA-N 441.915 4.792 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](COc2ccccc2)C1 508910164 AKDJJEJCNCKMBH-QDSKXPNFSA-N 430.552 4.615 30 10 IJEE C[C@H]1CCCN(C2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)C1 526690480 YVKSKYOLNDWLKF-HNNXBMFYSA-N 437.952 4.821 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 549288579 XWCNXEUJLYAFNM-LEWJYISDSA-N 440.588 4.572 30 10 IJEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](c2nc(C(C)C)cs2)C1 549668453 WHYQUAUGKDOMDA-ROUUACIJSA-N 433.622 4.542 30 10 IJEE CC#CCN(C)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C 550491032 HHWHEMRSYOANNJ-ZHACJKMWSA-N 430.577 4.686 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)Cc3ccc(F)cc3)C2)c1 585997657 PSNNQNJFJUXORZ-QHCPKHFHSA-N 437.559 4.627 30 10 IJEE O=C(Nc1cccc(Cl)c1)NC1CCC(OS(=O)(=O)c2ccccc2Cl)CC1 586505568 BQMZEQLCFGUOBG-UHFFFAOYSA-N 443.352 4.832 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCCCO2)c1C 619863316 RXKKRWQLPYAZQK-SFTDATJTSA-N 437.588 4.734 30 10 IJEE Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)cc1 739115770 FCJSIIHSTXXCQM-CJFMBICVSA-N 425.532 4.679 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 741365184 AQVGBSGLIFEGNE-JKSUJKDBSA-N 425.790 4.988 30 10 IJEE O=C(/C=C\c1cncc(F)c1)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 769639051 GJGCPWDYKHXUPV-YYZONTRBSA-N 448.338 4.872 30 10 IJEE C=CC[C@]1(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)CCCN1C(=O)OC(C)(C)C 791718675 UKOUUFXOPNAJRY-LHSJRXKWSA-N 433.530 4.748 30 10 IJEE COc1ccc(CN[C@@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C#N 796338790 OULHEBBXTSXONS-LBPRGKRZSA-N 425.838 4.746 30 10 IJEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 802601951 IPHWTVYIWIKYBC-UHFFFAOYSA-N 425.577 4.665 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2CCn3c(cc4ccccc43)C2)c1=S 812300058 IRZKXAFNQHZVGY-UHFFFAOYSA-N 449.555 4.746 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2ccc(F)cc2)n1)Nc1cccc2ccccc12 1084576276 PYYNGVPNTAAWRB-UHFFFAOYSA-N 434.500 4.664 30 10 IJEE COc1ccc(-c2nc(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)nc(O)c2C#N)cc1 1087021113 ZAJBMNWLRGIXDH-CQSZACIVSA-N 444.516 4.883 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1 1124744929 DQTBUVVZLDJHBZ-UHFFFAOYSA-N 431.923 4.753 30 10 IJEE C=CCc1cc(CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)cc(OC)c1OC 1125545187 XJEYWJJLMZOMKY-UHFFFAOYSA-N 446.334 4.855 30 10 IJEE C[C@@H](NC(=O)[C@H](c1ccccc1F)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1127890340 APJKGNQPOGJNRL-BCHFMIIMSA-N 443.522 4.615 30 10 IJEE C=CCN(C(=O)c1ccnc(Oc2ccccc2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1128110877 FRPTXHZCLSBEIZ-QHCPKHFHSA-N 430.504 4.677 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cnc(-c3ccc(Br)s3)nc2)cc1 1130281878 NEKIDLWPIZJXHC-UHFFFAOYSA-N 430.327 4.714 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 1143068045 JAQLXXYUZFBFQQ-QGZVFWFLSA-N 438.453 4.829 30 10 IJEE CC(=O)[C@](C#N)(CCSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccccc1 1165788980 HJVKTCKXGHVOEU-XMMPIXPASA-N 443.532 4.514 30 10 IJEE C=CCn1c(SCC(=O)NCc2cccc(Cl)c2O)nnc1-c1ccc(Cl)cc1 1180401277 RRGOGJNFWGFYQD-UHFFFAOYSA-N 449.363 4.552 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(c2cc(Br)ccc2C#N)CC1 1185080733 CNXKIOZMSFHHHU-SFHVURJKSA-N 434.378 4.937 30 10 IJEE N#Cc1ccc(CN(Cc2cc(Br)c(O)c(Br)c2)C2CC2)cc1 1204960648 FEFBMTDUZYLCEL-UHFFFAOYSA-N 436.147 4.953 30 10 IJEE C#Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(Cl)c1 1220234693 IMYNHQRJBMKLJM-MAUKXSAKSA-N 441.881 4.509 30 10 IJEE COc1ccccc1N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 1264072269 HUBDWUNFCJWPJO-UHFFFAOYSA-N 427.504 4.630 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(Br)c(C)nc2OC)c1 1264942855 IYFVHWZOVMFKQV-UHFFFAOYSA-N 435.321 4.989 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C 1265659121 SGHVZTJAQJITOV-WDZJFXIESA-N 441.616 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCCN1CCCCC1 1286296739 RIODFJRYJMEFRH-HXUWFJFHSA-N 428.024 4.636 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](c2ccco2)C1 1286338606 DOEMCMMDRVJBBA-CQSZACIVSA-N 431.359 4.769 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](SC)C(C)(C)C 1286368962 WXOANFOYQPWUOU-ZDUSSCGKSA-N 427.437 4.616 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCOC2(CCCCC2)C1 1286497761 XPYHBZQTYUYKLL-JOCHJYFZSA-N 438.641 4.726 30 10 IJEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 1286504376 OXJJSROVHGAKAQ-LJQANCHMSA-N 427.574 4.557 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCOC(C)(C)C 1286518553 GVIDYAJIKMTBRB-GAJHUEQPSA-N 430.980 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286569536 UGZXMECWJSVQSF-UHFFFAOYSA-N 429.565 4.648 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1286590152 SXOVJWIPELSLLH-UHFFFAOYSA-N 441.988 4.507 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)C2(CCC2)C1 1286613532 AOCMODQHVBPFAL-PWRODBHTSA-N 430.637 4.806 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nccnc2C)CC1 1286654058 CPTOTHNCYSKNCW-UHFFFAOYSA-N 430.600 4.986 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCCC[C@H]2CC)CC1 1286665501 IRHSTQDIOKETIR-DNVJHFABSA-N 443.680 4.864 30 10 IJEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(CC)(CC)SC)C1CC1 1286732765 DCKHURAZTHVHTC-UHFFFAOYSA-N 428.602 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(F)(F)Br 1300285993 CZHODQXIJOFZOA-VIFPVBQESA-N 438.103 4.698 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCN1CCCC[C@H]1C 1300642407 JKVLFNGNSLHWIQ-HXUWFJFHSA-N 449.574 4.890 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@](C)(CC)C1 1301017046 GBMHRGXSPFMJGW-QRWLVFNGSA-N 425.360 4.829 30 10 IJEE C=CCN(c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](COC)OC)C1CC1 1301316520 MBVZOKOYSMAQFW-HNNXBMFYSA-N 432.977 4.629 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1Cc1csc(CC)n1 1301334344 IOZPNDNVQLMNOQ-UHFFFAOYSA-N 425.602 4.844 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCSC1 1301354667 GCMFKXSKAILYRL-FQEVSTJZSA-N 437.588 4.739 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1Cc1ccc(C)s1 1301773575 CLPSNCNHNRWKRH-UHFFFAOYSA-N 449.624 4.954 30 10 IJEE C=CCc1cc(CNC(=O)Nc2ccc(COC)c(C(F)(F)F)c2)cc(OC)c1OC 1310971393 HKRPFZBKVHCXCH-UHFFFAOYSA-N 438.446 4.919 30 10 IJEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1353487206 HABZTZOCHCSUSP-FQEVSTJZSA-N 445.469 4.731 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3Cl)c3ccccc3)cc2C1=O 1356431790 DLGKWBGNRZDIEO-HSZRJFAPSA-N 444.918 4.836 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OCC)CCCC1 1358971673 FBGDNCGPXNUVPW-IBGZPJMESA-N 436.625 4.554 30 10 IJEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1Cc1coc(-c2cccs2)n1 1359012706 WFNCWJBQMRDJOI-UHFFFAOYSA-N 431.565 4.678 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCCOC(F)(F)F 1359014507 LILYUHLQSUFAJM-UHFFFAOYSA-N 432.899 4.610 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)CC1CC1 1359093591 PKMWSXGJLHRLMV-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C)(C#N)CC1 1359096048 WCVIOYGMTZUSKW-OXJNMPFZSA-N 443.954 4.849 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCO[C@@](C)(CC)C1 1359223171 CDMHQYLRJIJHMA-UUOWRZLLSA-N 444.645 4.729 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCN1CCCCCC1 1359275620 YYIRFJFZBKMRTH-UHFFFAOYSA-N 433.600 4.958 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CC1CCC(F)(F)CC1 1359277562 PIGLGBZBIKTXAB-LJQANCHMSA-N 434.531 4.826 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)C/C(C)=C\c1ccccc1 1359284076 OSJJKSGIQCSPMM-VBKFSLOCSA-N 426.362 4.772 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1435134438 OYHAOSCMQSTTHI-UHFFFAOYSA-N 446.657 4.806 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CCCC1(C)C 1436083132 FCAFEWYENFNKCK-HNNXBMFYSA-N 437.769 4.890 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC=C(c2ccc(OCC)cc2)CC1 1446292475 OJYCACZZGYMITP-UHFFFAOYSA-N 429.520 4.765 30 10 IJEE C=CC(C)(C)NC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 1456979813 DEYCLEQWQZGNTJ-UHFFFAOYSA-N 447.560 4.876 30 10 IJEE Cc1cc(NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n2c(nc3ccccc32)c1C#N 1458201309 GWBGAWZNBGFWGO-OXQOHEQNSA-N 449.555 4.840 30 10 IJEE COC(=O)Cc1occc1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1461147090 HAKDITCAUINXAW-UHFFFAOYSA-N 427.272 4.537 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)nnc1-c1ccco1 1461267361 XJSJLUSGLQFOIY-INIZCTEOSA-N 440.544 4.534 30 10 IJEE C=C[C@](C)(CC)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 1463970705 MWODOGNDKOQREC-JVVYVMHDSA-N 427.353 4.748 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1)c1ccc(Br)cc1 1470663778 RMFCPRIVEKBIIZ-VXKWHMMOSA-N 440.385 4.742 30 10 IJEE C=CCn1c(S[C@@H](C(N)=O)C(C)C)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1472916130 IRSIRTQWNZJBPO-MAUKXSAKSA-N 432.659 4.946 30 10 IJEE N#Cc1ccc(Br)cc1OCc1nc(-c2cc(Br)cs2)no1 1473041757 COXCNCQNALEPGQ-UHFFFAOYSA-N 441.104 4.774 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)C1=O 1475857209 HIRRZAXOOHTJTA-GOSISDBHSA-N 433.936 4.881 30 10 IJEE C#CC[C@@H](NC(=O)Nc1cc(F)c(Cl)cc1I)c1ccccc1 1476932438 YCRQXFYBVKPXEC-OAHLLOKOSA-N 442.659 4.970 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c1 1477189127 YOITZHLCJWVJGC-WOJBJXKFSA-N 431.458 4.788 30 10 IJEE C=CCC[C@H](NC(=O)NCC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1 1478272483 MEDOUCDEUPOOQV-GHTZIAJQSA-N 428.495 4.580 30 10 IJEE C#C[C@H](NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1)c1ccc(Br)cc1 1478895457 CPNCAPRXJVBHIW-ONGXBYRLSA-N 427.342 4.925 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1507578104 VQBJKOWMTKBYTM-UHFFFAOYSA-N 436.531 4.950 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507667551 UHVQFUFCUFWZQR-ROUUACIJSA-N 430.474 4.710 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)N1CCC[C@H](C)C1 1507698235 KAZLCMWHRGLCDK-NRFANRHFSA-N 439.673 4.849 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507748350 MUYGKLRXTNXQFK-XMMPIXPASA-N 438.597 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1conc1COC 1507815989 MOMZQEZHYNQULB-UHFFFAOYSA-N 436.343 4.837 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1CC1CCN(c2ccncc2)CC1 1507816057 JJSZGTUPMBVULB-UHFFFAOYSA-N 434.563 4.798 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1507826998 NPOAFTIIKRFHNI-LJQANCHMSA-N 445.405 4.845 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1507870776 MTAYUYCTAMFBLY-AZUAARDMSA-N 444.023 4.580 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1507902254 DAEQWYJOLPDXJI-NJDAHSKKSA-N 430.637 4.804 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507926959 WJSXXQZLOWZNDE-ZEQKJWHPSA-N 448.615 4.662 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1507986046 UFJOLJPVUNPVSK-RTWAWAEBSA-N 439.648 4.897 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CCCCC1)N(C)C)C1CC1 1507995708 MJWFOPCVFWGWCO-XPWALMASSA-N 443.680 4.862 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1509946197 GGKPWXBNCJEPSI-IEBWSBKVSA-N 442.514 4.683 30 10 IJEE C[C@](O)(Cn1c(-c2ccccc2Cl)nnc1N(CCC#N)CC1CC1)c1ccsc1 1510231542 CEXUXGKQFVKXBO-QFIPXVFZSA-N 441.988 4.698 30 10 IJEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CC1 1512330133 BALPQRBRZKIJNS-LJQANCHMSA-N 429.515 4.791 30 10 IJEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)S[C@H](C)C2)CCCCC1 1518788595 BDZKQAMVYWBDMD-KDURUIRLSA-N 439.629 4.744 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(Br)cc2SC)cc(OC)c1OC 1519363124 YQFONDPVBQJKTD-UHFFFAOYSA-N 436.371 4.847 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1519699381 FRTLXKOTTWWMAF-WOJBJXKFSA-N 439.629 4.887 30 10 IJEE Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c(F)c2)cc1C 1521475710 HQSFBHBAQWLVND-DEOSSOPVSA-N 427.523 4.960 30 10 IJEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCC(c4ccc(F)cc4)CC3)CC2=O)cc1Cl 1521980960 IFAHJSMTLLXRIK-KGXSXCIVSA-N 439.918 4.546 30 10 IJEE C=CCC1(C(=O)N(C)Cc2cccc(OC)c2OCc2ccccc2F)CCOCC1 1524329709 YISNMTUOSDWFRD-UHFFFAOYSA-N 427.516 4.745 30 10 IJEE C#C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)c1ccc(Cl)cc1 1525038631 MPTZHOXUZMRCQP-LJQANCHMSA-N 428.717 4.701 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)cc1 1527031808 DNJQBNFHOZMAPD-GJZGRUSLSA-N 430.595 4.670 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(Br)cc2OC)cc1OC 1529111690 MZYIRACSMTZRLN-QARUFBMTSA-N 446.341 4.922 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(F)(F)c1cccc(Cl)c1Cl 1533889169 COONBAFRHDNAOB-UHFFFAOYSA-N 426.294 4.547 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCC1(c2ccccc2Br)CCC1 1534815889 SNFOCHJICCSKEI-UHFFFAOYSA-N 430.342 4.874 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C1CC(C(C)(C)C)C1 1539012123 IWRRZELWUCTPBE-VCAKUFKGSA-N 443.636 4.848 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C2CC2)CC1 1539238561 ALUAYCGYNDIODR-IBGZPJMESA-N 436.987 4.951 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCCC(C)(C)C1 1539505336 IOJBFWPCGBUSDH-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H]1CCCCO1 1539728037 BUHNQKCYYNLRIC-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1539917840 GRSLWGRVTPKFNC-NRFANRHFSA-N 435.616 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCCN(CC(F)(F)F)CC1 1539920984 OESXQTICUDJCHW-UHFFFAOYSA-N 449.565 4.854 30 10 IJEE C=CCCOCCn1c(N2CCC[C@H]2c2ccc(OC)cc2OC)nnc1C(C)(C)C 1540041930 HABVOZQDBYUYLG-FQEVSTJZSA-N 428.577 4.527 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@](C)(O)c1ccsc1)C1CC1 1540114212 IXDOMOOCACRIHR-DEOSSOPVSA-N 438.597 4.598 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 1540666141 VJBQCKZPVSMXGY-HNNXBMFYSA-N 436.858 4.580 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1540910500 IJCKGUSRAWZQJM-CJNGLKHVSA-N 446.926 4.674 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)C(=O)OCC 1544338819 LBFUARLCOZUFBR-IBGZPJMESA-N 430.932 4.976 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)c1ccc(Cl)cc1 1556907061 BPSYOWCXXNQKSY-QHCPKHFHSA-N 429.907 4.979 30 10 IJEE CCOC(=O)c1cccc(N(CC)CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 1559602833 ARAMGNHPTSFIRM-QGZVFWFLSA-N 425.554 4.723 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC(C)(c3ccccc3)CC2)n(Cc2ccco2)c1C 1559656266 FCVLOTWZOIGWOM-UHFFFAOYSA-N 430.552 4.610 30 10 IJEE C#CC1CCN(C(=O)NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CC1 1563618387 JBJIGDXCSPGTKO-JOCHJYFZSA-N 445.563 4.762 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 1567216073 IBXZFUWXXCXWHE-RTWAWAEBSA-N 427.520 4.676 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C)c1ccc(Br)cc1 1583565349 GWXTWCCZFFJGKP-MSOLQXFVSA-N 449.389 4.665 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1584358787 CTIDLRHGKFIIFV-CVDCTZTESA-N 439.600 4.623 30 10 IJEE C#C[C@@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1 1584682120 RTINPPYXNKVGCN-XMMPIXPASA-N 427.454 4.851 30 10 IJEE N#C[C@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)c1cccc(Cl)c1Cl 1585271856 QCFAOPKHNQLVNX-ZDUSSCGKSA-N 443.212 4.606 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 1585595009 XXHBEGNTPWUQDH-LBPRGKRZSA-N 444.767 4.935 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCc1csc(C(C)(C)C)n1 1587673586 QKNXMUCBJGBWJG-SFHVURJKSA-N 437.613 4.620 30 10 IJEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1587749470 IYLYFJWUEPRSEP-GMAHTHKFSA-N 430.600 4.566 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(OC(C)C)CC1 1587787974 UBNGZHNLNKZUMX-UHFFFAOYSA-N 430.980 4.708 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCn1ccnc1C 1588288911 QIEABBYBPCSIOO-UHFFFAOYSA-N 431.371 4.697 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1588445499 NSDMNEIENPSWLH-KRWDZBQOSA-N 449.624 4.563 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1cccnc1)C(C)C 1588595721 ZRCNYMVCCMCBAL-QFIPXVFZSA-N 443.551 4.612 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OC)nnc1N(C)C[C@@H]1CC=CCC1 1589449887 UHUHSOJAECYTIZ-QGZVFWFLSA-N 447.377 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1c(C)noc1C 1589599796 MLXFCKJHHAGMFS-UHFFFAOYSA-N 430.350 4.763 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(OC)CCC(C)CC2)CC1 1594070920 RPULDLJYCVYIIZ-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)C1 1594491680 HUTNYMZRHJOSKS-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(OC)CC1)c1ccccc1 1594543633 DAMBXKHMOGURIE-PLXFJCCSSA-N 438.616 4.927 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1594687335 NJKFTGCEAWCMCB-MRXNPFEDSA-N 436.398 4.786 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccc(C#N)o1 1594858513 ZXDAUZBVFQNDCZ-MRXNPFEDSA-N 425.920 4.824 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1595009392 DIKNXLHMZLXTJF-GOSISDBHSA-N 445.633 4.756 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1CCSCC(F)(F)F 1595109397 YRBGPKHVYVIDTI-UHFFFAOYSA-N 435.519 4.772 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1595148911 CAFSONBSRHDUAP-WOJBJXKFSA-N 436.629 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1CCc1nc(C)c(C)s1 1595196000 HLXCDQLGGHRXSE-UHFFFAOYSA-N 430.581 4.988 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1595260371 IQSOXDRZJVZGDX-RUZDIDTESA-N 440.588 4.812 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1595350617 KCXYNVYYHAOMHK-VXKWHMMOSA-N 436.556 4.943 30 10 IJEE C#C[C@H](NC(=O)CCCCc1ccc(I)cc1)c1ccc(F)cc1 1596936813 QXGMYOJQPFWLKL-IBGZPJMESA-N 435.280 4.634 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccco1 1611747915 DMRHIYZLQLWVQA-ZHRRBRCNSA-N 425.920 4.843 30 10 IJEE COc1ccc([C@@H](Cc2ccccc2C)NCCC(=O)Nc2ccccc2C#N)cc1OC 1616856060 AIJXRHHUYNEBLE-XMMPIXPASA-N 443.547 4.786 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1618972186 FBJNLODWXGAHGY-FRQCXROJSA-N 433.984 4.728 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C)nn1[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1 1623299522 DCGQQJQLFHHXBU-OYSPMZIOSA-N 427.346 4.811 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 1632474602 VGUYPSPAYCQBGY-OCCSQVGLSA-N 442.812 4.720 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)c1ccc(F)c(F)c1 1633327098 HXOPLTYLCZAMMG-CYBMUJFWSA-N 434.078 4.865 30 10 IJEE C=CCC[C@H](NC(=O)NCC(C)(C)C1(O)CCOCC1)c1ccc(C(F)(F)F)cc1 1633471672 SROOAMWBUCOUBT-SFHVURJKSA-N 428.495 4.580 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c1 1634894969 OGVMGEJJBPJKCC-UHFFFAOYSA-N 435.549 4.660 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)s1 1636411298 BYXJFHKJNVFDGA-ZDUSSCGKSA-N 448.054 4.648 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1640487706 JSELTGNIXQJUQU-PISNEZEASA-N 430.593 4.572 30 10 IJEE C=CCCN(OCc1ccccc1)c1ncnc2c1c(Br)nn2C(C)(C)C 1642592019 STCAVLNKQQGGRB-UHFFFAOYSA-N 430.350 4.858 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2c3ccccc3N(C)CC[C@@H]2C)n(-c2ccccc2)c1C 1644794053 BLHAMKXETCMHBE-SFHVURJKSA-N 427.552 4.639 30 10 IJEE C#CCN(C(=O)c1cc(O)nc2c(Br)cccc12)[C@@H]1CCCc2ccccc21 1652652947 DKCSYZAKLNSVSQ-HXUWFJFHSA-N 435.321 4.856 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1OCC 1656683956 LELNRZXYEGHKDB-VBKZILBWSA-N 438.337 4.763 30 10 IJEE C=CCCCS(=O)(=O)Oc1ccc(-c2ccc(I)cc2)cc1 1659180351 SVDPHPMCLQOYOL-UHFFFAOYSA-N 428.291 4.633 30 10 IJEE C#C[C@@H](NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12)C1CCOCC1 1660321398 MTJCNWUQJNBJMV-LJQANCHMSA-N 431.433 4.677 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@@H]3Cc4ccccc4O3)cc2Cl)c1 1668176494 GYDXUWJXDPAHKR-FQEVSTJZSA-N 433.895 4.916 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 1668202648 DHVXFHOIQNLYPI-UHFFFAOYSA-N 446.301 4.902 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N[C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1C#N 1672087341 CEVYNNCKZDSTON-OAQYLSRUSA-N 435.446 4.784 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 1678356438 VVIFVGJKWACYGA-UHFFFAOYSA-N 428.286 4.510 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1)c1ccc(Br)cc1 1682357138 UDMTWGUCXUQJFV-AVRDEDQJSA-N 446.433 4.810 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1683050812 CGCQIARZDKJGSY-FDFHNCONSA-N 443.588 4.742 30 10 IJEE C#C[C@H](NC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccc(Cl)cc1 1683502228 HMOXJNPLJOSCEM-FPOVZHCZSA-N 445.991 4.693 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccc(C)nc1 1689837172 ADRUOYYZGMWREP-CQSZACIVSA-N 444.764 4.571 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](COCC)C1 1689881670 YNXIOBNQHCQTOH-MRXNPFEDSA-N 449.368 4.513 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Br)s1 1689922101 BUJKZHYMQQFBBS-UHFFFAOYSA-N 440.370 4.691 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1689943564 VKANKGILRWWVHT-XUVXKRRUSA-N 441.645 4.759 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCSC1(C)C 1689973909 UZFGKQICFOPVEB-IBGZPJMESA-N 426.630 4.756 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1nnc(CC)s1 1690257441 JNDLRCGWZQYFCN-UHFFFAOYSA-N 447.406 4.572 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C)CC1 1690305787 IBKHVMWRNWIKHT-IBGZPJMESA-N 428.577 4.572 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](OCCCc2ccccc2)C1 1690348853 CYHDSURZSYKAEO-NRFANRHFSA-N 443.016 4.911 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](CC)N2CCCC2)CC1 1690364406 PVAILALHGVKZJK-WOJBJXKFSA-N 427.568 4.588 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1690374398 USRGJAZDKUKKNF-NJDAHSKKSA-N 443.636 4.985 30 10 IJEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[C@H](OC)C(CC)CC)CC1 1690379252 NDQQOKYOZMAUQN-QFIPXVFZSA-N 436.604 4.514 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1690426493 PDVBVSKYWKKNLM-NRFANRHFSA-N 432.616 4.976 30 10 IJEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC1(OCC)CCCC1 1690518829 WUTVRBPDTYKIPB-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCC1(F)F 1690600961 LHORQTILIHAXTK-LJQANCHMSA-N 427.499 4.733 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1(SC)CCC1 1690605680 TZGUTQZOTMLAHQ-UHFFFAOYSA-N 433.581 4.931 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690746991 QGQGUAIJNKRAFD-UHFFFAOYSA-N 449.064 4.927 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1705498525 ANJQQILRZJEOSO-QPPBQGQZSA-N 447.652 4.691 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC1CCCC1 1705608332 NHKYLCFAQIAMGH-UHFFFAOYSA-N 435.959 4.823 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CCCC 1705704259 RPBXXGSEKNJBAQ-NZQKXSOJSA-N 434.588 4.738 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](OCCC)CC1 1705728812 YBIVIXOXFDNXNC-UXHICEINSA-N 447.624 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1705777021 VSFZERCYXDNOIR-WSTZPKSXSA-N 428.552 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705794645 PCCPZVQPZPHIBH-OAQYLSRUSA-N 448.615 4.619 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CC(C)C)C1)c1ccccc1 1705797924 GPSJJKMKZSLPSL-JTHBVZDNSA-N 435.616 4.633 30 10 IJEE C=CC[C@@H](Cn1c(N2CCC(C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1705798201 MQMRWGPUZLPRHR-JYFHCDHNSA-N 438.616 4.915 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H]1CCC(F)(F)C1 1705859902 IKRSKEQQCXHEGN-HXUWFJFHSA-N 434.494 4.840 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1C[C@](C)(O)c1cc(C)oc1C 1705870635 MCAPQDNMQNVMJQ-VWLOTQADSA-N 432.524 4.987 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCOC[C@H]1C 1705871273 DHWKMYDEKKTJCL-CVEARBPZSA-N 449.368 4.698 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N(C)Cc1ccc(Br)o1 1705947872 AENJIJARAINHLI-UHFFFAOYSA-N 439.423 4.922 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1Cc1ncccc1N(C)C 1707642112 BWCLEINEDUIVGH-UHFFFAOYSA-N 431.588 4.529 30 10 IJEE CC[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)OC 1708772354 DOBHNNYHRSSPJZ-QFBILLFUSA-N 431.968 4.627 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1722327627 ROFFIYSWTQSNQA-QAPCUYQASA-N 429.362 4.508 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722413873 MGBVUDODMNOAKF-TZIWHRDSSA-N 426.580 4.697 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)CN2CCCCC2)CC1 1722568393 KODBLMHKCGEZKN-HSZRJFAPSA-N 437.632 4.752 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCOc2ccc(F)c(Cl)c2)CC1 1722579592 IXQQETQBXUTXGG-UHFFFAOYSA-N 441.938 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@H](C)C1 1722585186 RBUIDLJYJRRJOR-QGZVFWFLSA-N 446.437 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722587518 RKPFWGOEYONMLT-FQEVSTJZSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722587963 GOIVMQZCBFXPQE-UHFFFAOYSA-N 441.595 4.617 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722592743 ZYJAUIZZPCZYPI-UTKZUKDTSA-N 434.415 4.886 30 10 IJEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722597855 SXPQBCXEGGCPOX-HXUWFJFHSA-N 434.569 4.516 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnn(C)c1 1722597879 UIANLGNFNJKNSG-UHFFFAOYSA-N 443.393 4.742 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCSC1 1722598285 CCNOYGRITLWGNR-WIYYLYMNSA-N 428.602 4.726 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]1C(C)C 1722617157 HFBVYNHBMBDHES-UXHICEINSA-N 431.625 4.984 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC1C[C@@H](C)O[C@H](C)C1 1722632276 NDJPHCUJQHYODF-ZIAGYGMSSA-N 437.357 4.673 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2CC)n1Cc1csc(-c2ccco2)n1 1722642695 LYMZIYHTPYBNSE-UHFFFAOYSA-N 435.553 4.807 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCc1cc(F)cc(F)c1 1722663790 IFWQMODFGIYLQI-GOSISDBHSA-N 444.551 4.947 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC=C(C(C)(C)C)CC1)C(C)C 1722667178 VDZHSPGIOSLECE-HSZRJFAPSA-N 449.647 4.616 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722674324 BLKCGTKDESOUNR-QFQXNSOFSA-N 448.615 4.679 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1OCCC1(C)C 1722678409 QAYAOLPVQWWADI-NRFANRHFSA-N 426.605 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(CC)(CC)OC)C1 1722710244 GBELPYWMNLAHEE-HXUWFJFHSA-N 449.599 4.788 30 10 IJEE CS[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1731045885 BIKQQWPMYUAJSS-UZLBHIALSA-N 439.963 4.957 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1740583477 PRMWMUDNQHMVJI-MOPGFXCFSA-N 445.405 4.761 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)C1CCCCC1 1740603370 QFXRICCASUHDAD-OSPHWJPCSA-N 426.630 4.532 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C(CC)CC)N(C)C 1740664029 XYTHUKIAZAGPDU-XMMPIXPASA-N 432.616 4.628 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](OC)C(C)(C)C 1740727203 CRAYWCDTLCGQDV-BKMJKUGQSA-N 431.584 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](c1ccco1)N(C)C 1740773030 SIOPIAVPFTTZGU-NRFANRHFSA-N 446.555 4.898 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(c2cccc(OC)c2)CC1 1740792560 JVEDHSKHGLHIRQ-UHFFFAOYSA-N 426.605 4.852 30 10 IJEE C=C(Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](F)C1)c1ccccc1 1740796858 GFXMJXXZRSGQFH-PBHICJAKSA-N 430.325 4.543 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@H]2CCC[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740816018 RQOZGJPTBBKDLB-OWLYRPNTSA-N 438.016 4.816 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(Br)n1 1740857905 YLFJKMLIAQUFTB-QGZVFWFLSA-N 448.409 4.561 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[C@@H]21 1740887848 DTGRDVRQYVOVOD-QAPCUYQASA-N 437.371 4.745 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)cc1OC 1740894581 ZSFAAWMMUHGBPH-UHFFFAOYSA-N 438.597 4.963 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCS1)C1CC1 1740906622 JKDILDQFPFOUAZ-LJQANCHMSA-N 428.602 4.791 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740919445 GTIAGALOVYORGM-POGFHVCPSA-N 437.632 4.833 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(F)ccc2C1)C(C)C 1740927894 YNWAYJIFUQBACM-DEOSSOPVSA-N 448.590 4.674 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(C3CCC(C)CC3)CC2)cc1 1740965371 HXCZDVFXUWMMQT-UHFFFAOYSA-N 437.632 4.715 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccc(Cl)s2)[C@H]1C 1743175478 CJGKPYZPYUSJHW-HOTGVXAUSA-N 441.988 4.921 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)CC1CC(F)(F)C1 1748709518 YDGVEESUTIAUII-UHFFFAOYSA-N 437.332 4.993 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC2(CCOCC2)C1 1748722373 XFKMKJXXPZBGMX-UHFFFAOYSA-N 426.992 4.723 30 10 IJEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1748735552 QUCZERHAJSQHGB-MRXNPFEDSA-N 438.557 4.791 30 10 IJEE COc1ccc(CCn2c(C3CCCC3)nnc2N(C)[C@H](C)CC#N)cc1OC(F)F 1748741752 AHUSKGDKUKXVMI-OAHLLOKOSA-N 433.503 4.527 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1749119403 RMRYSJAQIDIJTA-QEUPLWARSA-N 430.618 4.801 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCSC2(C)C)CC1 1749346955 DSBUEIRDXHHMQE-SFHVURJKSA-N 430.593 4.930 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCOC[C@H]1C 1749564243 RWVQGZVCHYJRFH-MJGOQNOKSA-N 445.405 4.867 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N2CCCC2)nc1 1749570788 BMTIISYBRAORDU-UHFFFAOYSA-N 434.975 4.820 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2noc3c2COCC3)n1CCC=C(C)C 1749584342 KLMKXXGQCZOOIU-UHFFFAOYSA-N 433.556 4.597 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1749608006 COGRBZKNRZQKLQ-LBPRGKRZSA-N 436.304 4.708 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760145139 ITPLBDJFEJWNKR-DHIUTWEWSA-N 446.599 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1760289696 QZLKDSZTZVGSIH-YWSDPWDBSA-N 440.563 4.753 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1nccn1C(F)F 1760297843 KSMSRUUSCPNMNV-JOCHJYFZSA-N 442.539 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cccs1 1760327822 MKHZRHNRDFXGDN-OYNPSCLESA-N 444.645 4.876 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC2(CCCCC2)O1 1760339648 PQHKBCHGRJIYBD-FQEVSTJZSA-N 429.634 4.918 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)C1CCN(CCC)CC1 1760341467 DHLFAJGRSYCXOH-OAQYLSRUSA-N 425.621 4.922 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760359643 JJJCRPXTBHVTKC-OAQYLSRUSA-N 426.605 4.537 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2oc(CC)nc2C)CC1 1760404695 GOVNDHZEYFLRDD-UHFFFAOYSA-N 435.572 4.783 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C1CCCCC1 1760423400 YAWBKTJPAQCRSI-UHFFFAOYSA-N 430.618 4.864 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C 1760425693 UAQJJIZQIUGYSF-VAMGGRTRSA-N 431.625 4.984 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1c(F)cccc1OC(F)F)C1CC1 1760471932 OMSKOTUDSXTKJM-UHFFFAOYSA-N 449.864 4.937 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@@H]1CCO[C@@H](C)C1 1760486092 CISUEKTUSKAMFU-RBUKOAKNSA-N 425.602 4.743 30 10 IJEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 1760559460 HRHGIOWQCACNSF-MSOLQXFVSA-N 449.615 4.872 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)C[C@H]2CC)cn1 1764607504 AIJHUXZSJLZCBR-XMSQKQJNSA-N 430.556 4.674 30 10 IJEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(Cc1cccs1)C(C)C 1771393861 BXWRQCHEJHXYLI-QGZVFWFLSA-N 441.626 4.957 30 10 IJEE CC(C)NC(=O)[C@@]12CC[C@@](C)(C(=NOC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C1)C2(C)C 1772722502 HTJJOYHNTRLESN-LEWJYISDSA-N 435.908 4.502 30 10 IJEE CC[C@H](Sc1nc(O)c(C#N)c(-c2cccc(Cl)c2)n1)C(=O)OCc1ccccc1 1860463798 UITZYKBGERVDMJ-SFHVURJKSA-N 439.924 4.988 30 10 IJEE COc1cc(/C=N/NC(=S)NC2CCCCCCCCCCC2)cc([N+](=O)[O-])c1O 1860499372 MGKHCOHPVOGLPD-PXLXIMEGSA-N 436.578 4.780 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3CCN(C(=O)Cc4cccs4)CC3)cc2)c1 1860691674 GWVUJVLEJYORFV-UHFFFAOYSA-N 430.529 4.788 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 1862391268 XCTKPWANJVHBIT-FYYLOGMGSA-N 437.511 4.926 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1cccc(C)c1 1862429831 VYYIENWJEGAVGR-QFIPXVFZSA-N 440.971 4.959 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(OCC)c1 1862433791 KVTDHTFEIQKHCN-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1C 1862441566 ACCUDRWIKNGBOI-JOCHJYFZSA-N 440.971 4.959 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN3CCCC3)[C@H]2c2ccc(F)cc2)cc1 1862474979 ZXARVJIQFZRRPR-QHCPKHFHSA-N 436.527 4.588 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2CC(C)C)cc1 1862523846 QLEZWQVMHJYOEM-IBGZPJMESA-N 428.326 4.992 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862543353 FEEUZBYILVXVIC-VWNXMTODSA-N 431.532 4.631 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1862583506 CGRBEPOXIIZEMY-GOSISDBHSA-N 436.291 4.639 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862641015 UZIVCGMITYXMBS-QKKBWIMNSA-N 427.472 4.610 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2c(Cl)cccc2Cl)cc1F 1862643193 MJBVDDAZNKSLDC-SFHVURJKSA-N 436.266 4.882 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(O)c2)cc1 1862663991 ZGGUCEZOWLLVOQ-QHCPKHFHSA-N 428.488 4.689 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCO)cc1 1862668809 IAGWJKJYZLZUMI-QHCPKHFHSA-N 437.536 4.560 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 1862748906 LXOASDZLHHXMBV-MMACOIQUSA-N 438.455 4.891 30 10 IJEE C=CCNC1=C(c2ccc(OCC)cc2)C(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 1863573567 IGSGHAWAQZUKHZ-IHAPDJFTSA-N 434.580 4.546 30 10 IJEE CSCC[C@@H](NC(=O)C[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 1866715698 OIKLZHYCZQBAIG-MGPUTAFESA-N 429.973 4.582 30 10 IJEE CCCC[C@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867709036 YZMHVMSDJVEWFW-ZEQRLZLVSA-N 435.568 4.700 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870110975 QYIJQQHGEVQTDS-CHWSQXEVSA-N 446.725 4.900 30 10 IJEE N#Cc1nnn(Cc2cccc3ccccc23)c1NC(=O)c1ccc2cc(Cl)ccc2n1 1870111346 JPGBPQXPZCDVFS-UHFFFAOYSA-N 438.878 4.805 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CSc1ccccc1 1870177909 KLUMVZOJUSYXHX-UHFFFAOYSA-N 448.544 4.547 30 10 IJEE C=CCOc1cn(Cc2cccnc2)c(CSc2nc3ccccc3n2CCC)cc1=O 1870244290 ILJAHCJMQRGTPH-UHFFFAOYSA-N 446.576 4.908 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CSc1ccccn1 1870286021 XUNUDHVPPPMKKN-UHFFFAOYSA-N 445.629 4.800 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1cc(C)cc(C)c1 1871197919 GEZAPKFSWZBDCB-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)CC)S(C)(=O)=O 1871855049 COUFTVAKZKRVOP-GCJKJVERSA-N 430.570 4.670 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(C)ccc1C 1871940531 HMVHCJLHHWEWEH-OAHLLOKOSA-N 441.380 4.814 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1cc(C)ccc1C 1872168977 TUZYJWJQXKHRQN-HXUWFJFHSA-N 444.597 4.686 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1cc(C)ccc1C 1872478796 JFEKBYHKUQRCOV-JOCHJYFZSA-N 428.598 4.850 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(CCCc4ccccc4)CC3=O)sc2C)cc1 1872724269 AGBGRMUAROTRQI-UHFFFAOYSA-N 433.577 4.662 30 10 IJEE N#Cc1ccccc1NC1=C(c2c(Cl)cccc2Cl)C(=O)N(Cc2ccncc2)C1=O 1873285269 DERUNXSFHIYMIF-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(N(C)Cc3ccccc3)ncnc21 1873660162 CUOXAPNFPFNZHG-UHFFFAOYSA-N 429.499 4.954 30 10 IJEE CSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1cc(Cl)ccc1O 1874215009 QXVUJMIXOVPNKC-WSDLNYQXSA-N 437.352 4.906 30 10 IJEE CCOc1ccc(/C=N/n2c(CCc3ccccc3Cl)nnc2SC)cc1OC 1874276044 RPQJPJATUFIYNL-OEAKJJBVSA-N 430.961 4.728 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(C)C)cc1 1874333429 ORDNPLJIJLBFRA-BLTFUYFMSA-N 425.602 4.676 30 10 IJEE OCCCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl 1874404275 PMXUWVKZFLOGJW-OEAKJJBVSA-N 435.380 4.727 30 10 IJEE COc1cccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2cccc(F)c2)c1O 1874437616 KSDAKFYZXVYJTI-ZMOGYAJESA-N 428.533 4.895 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2sccc2C)o1 1874457048 XQLHAHVBGGBMBP-SRZZPIQSSA-N 430.555 4.860 30 10 IJEE CCc1ccc(/C=N/n2c(CCOC)nnc2SCc2c(F)cccc2Cl)cc1 1874475580 HXRLAPGBINJPSX-ZMOGYAJESA-N 432.952 4.996 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1F 1874476323 KENSHMXYLSCNOG-BRJLIKDPSA-N 447.486 4.651 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C1CCC1 1874497572 PSGAXMWERZGKLG-DXRSZSRVSA-N 439.610 4.767 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1/N=C/c1ccc(F)cc1 1874504637 WVJPRLVTVAYYND-ZVHZXABRSA-N 425.533 4.545 30 10 IJEE COc1cc(/C=N/n2c(C)nnc2SCc2c(F)cccc2Cl)cc(Cl)c1O 1874533770 ANFVLXMCWLAOGJ-GZIVZEMBSA-N 441.315 4.921 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2CCCOc2ccc3ccccc3c2)ccc1O 1874569342 RZPHSFGIIXTMMH-PCLIKHOPSA-N 448.548 4.718 30 10 IJEE CC(C)Oc1cccc(/C=N/n2c(S)nnc2Cc2ccc(Br)cc2)c1 1874569809 HBNXBSBXGJEKEP-CIAFOILYSA-N 431.359 4.590 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1OCC(=O)NCc1ccccc1 1874584957 JPFFANSTFRSOIY-ACCUITESSA-N 437.442 4.565 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2cccc(OC)c2)c1 1874695094 KKVWFWZPCISNIS-CCEZHUSRSA-N 432.472 4.974 30 10 IJEE CC(C)n1ncc2c(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc(C(C)(C)C)nc21 1890079867 YQURHDVYFJZHFU-UHFFFAOYSA-N 445.567 4.865 30 10 IJEE CC(C)[C@@H]1C[C@@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CN1C(=O)OCc1ccccc1 1892826072 RPLMVUBELCXYJF-RDPSFJRHSA-N 429.561 4.961 30 10 IJEE CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)COc1cc(Br)cnc1C#N 1903447970 KXYBXTWLKIXKCL-ZDUSSCGKSA-N 426.355 4.672 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)CCCCNC(=O)OC(C)(C)C 1922085659 KCDKDWXMZSGHLW-WIOPSUGQSA-N 434.621 4.574 30 10 IJEE N#Cc1ccc(CC[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1951363840 IZNZJKGUYYXVJA-FQEVSTJZSA-N 440.499 4.873 30 10 IJEE Cc1cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)ccc1C#N 1952855167 VBVCNBFVHOYJQT-IGKIAQTJSA-N 438.483 4.705 30 10 IJEE CCN(CCCOCc1ccccc1)Cc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2035658001 BBQGVFBYCUQGRG-UHFFFAOYSA-N 427.369 4.554 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@H]2C[C@H]1CC21OCCO1 2048160965 MKAIGDODZUECID-MDOVXXIYSA-N 449.345 4.626 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cc(Br)cs1 2066515762 FCZPRNLDLTYWPL-JSGCOSHPSA-N 431.396 4.890 30 10 IJEE C#CC[C@H](C)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 2076088228 NBVGUQWZKVGFPN-LADGPHEKSA-N 441.660 4.964 30 10 IJEE O=C(NC1CC1)c1c(C2CCC2)nn(-c2cc(C(F)(F)F)cc(F)n2)c1C(F)(F)F 2078940328 DDPSXHLDQQNHDC-UHFFFAOYSA-N 436.331 4.604 30 10 IJEE C[C@@H](c1ccc(C2CC2)cc1)n1nc(C2(C)CC2)c(/C=N/O)c1I 2079053000 XZTKWELUHNSXMD-OVMKCGGTSA-N 435.309 4.834 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1nc(CCC)[nH]c1Br 2087656407 YHJFCIMEDGOMHO-UKRRQHHQSA-N 429.403 4.635 30 10 IJEE C#CCN(C[C@@H](Cc1ccc(Cl)c(Br)c1)NCCC)C(=O)OC(C)(C)C 2110504154 PTPZKHRPGOITGB-MRXNPFEDSA-N 443.813 4.884 30 10 IJEE C[C@H]1C[C@@H](CNc2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2115817396 GLZXTIAMMRNBNT-STQMWFEESA-N 426.330 4.907 30 10 IJEE C[C@@H]1C[C@@H](CNc2cc(Br)c(C#N)cc2F)CCN1C(=O)OC(C)(C)C 2115818072 IUNBUBWBEZTGBW-OLZOCXBDSA-N 426.330 4.907 30 10 IJEE N#Cc1c(F)cc(Br)cc1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2163694135 KAMUENBKGRNRAH-LAUBAEHRSA-N 428.349 4.951 30 10 IJEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1c1cc(Br)cc(F)c1C#N 2174767142 GUCFTZSPQGZYSZ-GOSISDBHSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CCC1(C)C 2193407478 HVSPVEYAQQMNGT-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)C[C@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C 2220388376 QXDLLISVYTVYPN-HBNGBVNPSA-N 446.632 4.524 30 10 IJEE CCCN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)C1CCN(Cc2ccccc2)CC1 2267199579 OKWGXSKFGUEDAE-SZPZYZBQSA-N 440.437 4.762 30 10 IJEE Cc1cnc(C(=O)Nc2ccccc2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2282647501 CDBKUAWWVKMTGM-UHFFFAOYSA-N 444.340 4.521 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2296226872 JXQUXTMGVQDIQZ-RTBURBONSA-N 435.406 4.814 30 10 IJEE O=C(C#Cc1cccc(Br)c1)[C@H](O)c1sc(Cl)cc1Br 2296246553 XGZFHJZYFKRARU-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 2296281933 QHQMZFLVYVCVAY-GHTZIAJQSA-N 439.369 4.518 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2296300630 KTEJLRWWIXVBIS-QUCCMNQESA-N 435.406 4.816 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(N)C#Cc1ccc(Br)cc1 2296310135 FQMQJEDHSNBULL-GCJKJVERSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2313032084 YJZPGACXPLVNEE-NRVIRDBHSA-N 448.568 4.900 30 10 IJEE CCCN[C@@H](C#CC1CC1)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2315825519 SOBMDXQMNSOZDN-DEOSSOPVSA-N 439.644 4.718 30 10 IJEE CC#CCN(CC(=O)Nc1cc(Cl)c(C)cc1Br)C(=O)OC(C)(C)C 2316117640 UWHMNSRDPINCMP-UHFFFAOYSA-N 429.742 4.610 30 10 IJEE Oc1ccc(Br)cc1C=Nn1c(S)nnc1CC12CC3CC(CC(C3)C1)C2 2322183724 HWQLUEVYNJTPEL-UHFFFAOYSA-N 447.402 4.676 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1 2324407104 JPMIKTWZZKRAMH-IBGZPJMESA-N 432.501 4.803 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1cc(OC)ccc1OC 2325730169 JVCLCHFITFWJNY-JOCHJYFZSA-N 432.605 4.869 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 2326257432 WIQKSJONNMQWFB-QFQXNSOFSA-N 442.600 4.993 30 10 IJEE CCCc1nnc(SCc2cccc(C(=O)OC)c2)n1N=Cc1ccc(OCC)cc1 2326760235 PKCUEDALGNNMDU-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccc([N+](=O)[O-])cc1 2327082403 WXXKDYCDTHBGGV-UHFFFAOYSA-N 425.514 4.501 30 10 IJEE Cn1cccc1C=Nn1c(COCc2ccccc2)nnc1SCc1ccccc1F 2329343006 PSGYAWVRPPUSDQ-UHFFFAOYSA-N 435.528 4.647 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(C(C)(C)C)cc1 2330467988 JOITVJDDOALUFQ-RUZDIDTESA-N 446.591 4.631 30 10 IJEE COc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)C(C)C 2330884177 HNGWPSWJGVOOJC-UHFFFAOYSA-N 433.298 4.924 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc(C)cc1 2331320089 HXWCRXBGMLGAHQ-UHFFFAOYSA-N 425.533 4.681 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)(C)C)n2N=Cc2ccc(F)cc2F)o1 2331392384 YKIFBCFPLNJFOC-UHFFFAOYSA-N 448.495 4.798 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339593126 AUTDPYYIAZHYNA-XYDKVEKUSA-N 444.381 4.895 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2358672509 YQTVCGIWOINYCT-QRQLOZEOSA-N 435.406 4.672 30 10 IJEE C=CCC1([C@@H](N)CCc2ccc(OC)cc2Br)CN(C(=O)OC(C)(C)C)C1 2364859230 XANBIBQESDLKLY-SFHVURJKSA-N 439.394 4.531 30 10 IJEE C=CCC1(N[C@@](C)(C(=O)O)c2cc(Cl)sc2Cl)CN(C(=O)OC(C)(C)C)C1 2377177515 CKZAXSIEXZWRAP-QGZVFWFLSA-N 435.373 4.510 30 10 IJEE COc1cc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1OC 1459775 RFNSPDUDCSFEFG-JOCHJYFZSA-N 445.515 4.650 30 10 IJEE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)o1 13424427 WVPAJLPPMCWYAY-ODLFYWEKSA-N 439.424 4.894 30 10 IJEE CCOc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)c1 20905304 BXXNDHKTAQXBDN-ZVHZXABRSA-N 446.536 4.533 30 10 IJEE C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc([N+](=O)[O-])c1 29550951 DHGVNHOJLVEGLB-UHFFFAOYSA-N 443.916 4.732 30 10 IJEE C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1Br 33409251 INJGVWQAHJSIMD-WJDWOHSUSA-N 441.281 4.829 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)C(C)C 36119265 SXJUWVWOLKKOHP-NRFANRHFSA-N 440.609 4.540 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 39848420 XKWGZMKFIWFTKU-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1c(/N=N/c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(O)n(Cc2ccco2)c(=O)c1C#N 39871344 TYEMVQFONWODOZ-OCOZRVBESA-N 447.329 4.718 30 10 IJEE N#CCCN(CC(=O)c1cc(Br)sc1Br)c1ccccc1 50132725 KERDWQUUMQDCNU-UHFFFAOYSA-N 428.149 4.876 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1I)c1ccccc1Br 55333444 SIOARJBMQZBAJZ-GFCCVEGCSA-N 426.051 4.544 30 10 IJEE CC(C)(C)NC(=O)CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59310046 SXIOZSJWMMEUDM-ZMOGYAJESA-N 432.553 4.564 30 10 IJEE Cc1cc(NC(=O)C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)no1 59772192 VDHWGZIYMWVDJG-INIZCTEOSA-N 443.290 4.831 30 10 IJEE CCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 59889733 DLUBXOSMFVUJRD-NUGSKGIGSA-N 434.875 4.796 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(C)o2)[C@H]1c1cccc(Oc2ccccc2)c1 103089862 FDQVPQQGDHXURA-UGUGFTGJSA-N 447.487 4.839 30 10 IJEE C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 104983179 CMAYANNPZMFRJI-FGZHOGPDSA-N 449.378 4.552 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 169945009 YYWPDAQJRQJZRQ-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@@H]2c2ccccn2)c1 169990832 KKUUXAADJGBLDU-DEOSSOPVSA-N 428.488 4.582 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)nc2c1 170056031 BZGPUTVMYGARIC-NRFANRHFSA-N 427.435 4.793 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(F)cc2)cc1 170062084 SFFJMZCNLFOXSH-NRFANRHFSA-N 448.406 4.525 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(C)c2)cc1 170144691 NAEOLHYWGXBQFM-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccn2)cc1 170170783 ADYVIMICSIKOFR-HSZRJFAPSA-N 428.488 4.744 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)c1 170176307 HBBAFRLYUXQAPY-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccncc2)cc1C 170202031 XLAVBPSNEIEIGO-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(Cl)c4)[C@H]3c3ccncc3)ccc2O1 170204233 NDFTUCQBHLWURK-FPTDNZKUSA-N 446.890 4.841 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@@H]1c1ccncc1)c1cccc(Cl)c1 170207041 JQXTZTDFYQMTNY-LJQANCHMSA-N 426.806 4.796 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 170237928 NHJXDWWSFFQBQP-HSZRJFAPSA-N 433.479 4.982 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(F)cc1 170243646 UMCSEGBTOLZCAJ-GOSISDBHSA-N 448.288 4.585 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 170442563 RUCHMKKLTKFSQA-XMMPIXPASA-N 437.536 4.531 30 10 IJEE CCOc1ccc2c(c1)O/C(=C/c1cccc(OC(=O)c3ccc4c(c3)OCO4)c1)C2=O 210090807 SSINMLLJOPGPAO-FOKLQQMPSA-N 430.412 4.649 30 10 IJEE C[C@H](C#CC(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C\C1=CCC[C@H]([N+](=O)[O-])C1 213642005 DBVXCYXESDPNAF-ZABGBXOTSA-N 444.487 4.598 30 10 IJEE N#C[C@H](C(=O)c1cc(I)ccc1Br)c1ccccc1 232468585 VLXHGBMDLJITBF-ZDUSSCGKSA-N 426.051 4.544 30 10 IJEE CN(C)S(=O)(=O)c1ccc(Cl)c(N=C/C(Br)=C\c2ccccc2)c1 254742743 SAHAMNFJJDDHEC-KSDZURJPSA-N 427.751 4.729 30 10 IJEE Cc1ccc(CN2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 404402563 WVBDFCBKKLYPEA-ZRBLBEILSA-N 448.460 4.778 30 10 IJEE C=CCn1c(SCc2cncn2Cc2ccccc2)nnc1[C@@H]1COc2ccccc2O1 445605973 WJTBRJLVYOBCNL-QFIPXVFZSA-N 445.548 4.514 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NCC1CCCCC1 489611897 BURNMUBTBNTTAV-SFHVURJKSA-N 428.602 4.529 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 526513903 ABUYMQKLLGMZNA-QFIPXVFZSA-N 427.416 4.532 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(Sc2ccccc2)C1=O 526657362 QDZBYAJRVKHWRE-UHFFFAOYSA-N 441.512 4.946 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(Sc3nc(C)cc(C)c3C#N)=C(N3CCCCC3)C2=O)c1 526694358 MHNWZEHOPPJSJS-UHFFFAOYSA-N 446.576 4.550 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(Cl)ccc2O)cc1 526707512 HFDZOHZHAZNYIM-JOCHJYFZSA-N 448.906 4.895 30 10 IJEE Cc1nnc(SCc2ccc(Br)cc2)n1/N=C\c1ccc(O)c(Cl)c1 526819547 IQKCNVZJGDVLBV-UKWGHVSLSA-N 437.750 4.883 30 10 IJEE C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2cc3sccc3s2)CC1 549250682 IAKJZNKIHJSWBM-OAHLLOKOSA-N 429.615 4.606 30 10 IJEE N#Cc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586232603 XNAHBUHXBFRZPG-UHFFFAOYSA-N 427.869 4.515 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)c(F)c1 609228366 AADDRLGWDXINTC-UHFFFAOYSA-N 432.842 4.998 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(N2c3ccccc3C[C@H]2C)CC1 609385217 DICHINUJLHFJCN-WOJBJXKFSA-N 448.636 4.935 30 10 IJEE Cn1ccnc1C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1 610321316 PUXATISEPNBCRZ-JOCHJYFZSA-N 438.491 4.585 30 10 IJEE C=CCC1([C@@H](N)Cc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 722916629 GXJHVPKEEPFNLQ-INIZCTEOSA-N 429.786 4.786 30 10 IJEE N#CCOc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)c1 732487121 LTTHPHGYZYRHNR-RUZDIDTESA-N 435.483 4.586 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)[C@@H]1CCOc2ccc(Br)cc21 733112783 RVSUYFIXWDLDAG-SFHLNBCPSA-N 440.337 4.547 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(OCC(F)(F)F)c2)ccc1OC 733620029 NBDDRCPHNAIWSD-INIZCTEOSA-N 437.418 4.639 30 10 IJEE Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CC2(CC#N)CC2)c1 797423912 AGEFGBXPNWPQKB-FQEVSTJZSA-N 432.549 4.649 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 802580377 WPQFNPLLIBTMGK-UHFFFAOYSA-N 429.565 4.588 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 803525235 KKBMKVMHXSYDSQ-GHTZIAJQSA-N 428.492 4.527 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccccc2)C1 1116940110 KKHSFLQHODGUNB-GOSISDBHSA-N 439.357 4.537 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 1124608302 XATCOALXUXNDLU-CYBMUJFWSA-N 438.398 4.602 30 10 IJEE CC(C)c1ncc(Br)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 1124779245 BLISYPHAHILWLG-UHFFFAOYSA-N 442.342 4.534 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3OCc3cccc(Cl)c3)cc2C1=O 1126241912 IJKSOVGISAILDE-UHFFFAOYSA-N 446.890 4.953 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 1137343516 SRABFCWIBSUTCT-QFIPXVFZSA-N 430.589 4.813 30 10 IJEE N#CCCN(C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(F)cc1 1144054704 ANYWNRFGRZETBO-IBGZPJMESA-N 437.418 4.522 30 10 IJEE C#C[C@H](NC(=O)C(CC)(CC)CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 1159634904 TZCBYTQXMVRHEO-KRWDZBQOSA-N 437.378 4.571 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NCc3ccc(C)cc3OCC(F)(F)F)c2c1 1162762094 CIDMASNPWDHTMK-UHFFFAOYSA-N 431.414 4.985 30 10 IJEE C#CCN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1 1169962885 JQDSBAANPJWJFW-UHFFFAOYSA-N 441.247 4.764 30 10 IJEE COc1ccc(C)cc1[C@H](C)NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 1170966669 FSFZWQMSVYZANH-IBGZPJMESA-N 442.563 4.834 30 10 IJEE N#Cc1ccc(NC(=O)Nc2ccc(Br)cc2I)cc1 1184753571 AANVVRKPPCRIPB-UHFFFAOYSA-N 442.054 4.569 30 10 IJEE C=CCOc1ccccc1CN(CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C)c(C)c1 1192070464 LOSDNKQXFJEVAN-UHFFFAOYSA-N 433.508 4.645 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(C2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)c1 1212098457 DDDFRVCNLRANSB-UHFFFAOYSA-N 447.582 4.535 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(OCc3ccccc3F)cc2)cc1 1214815681 YZIDLEPESFGMPM-UHFFFAOYSA-N 433.483 4.642 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1ccc(F)c(Br)c1 1224108510 FCAAXHMMLCNZDN-XLIONFOSSA-N 430.321 4.612 30 10 IJEE C=C(CC)CNC(=O)N[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21 1230063247 PHDFRHOXCOJUGN-LJQANCHMSA-N 429.561 4.545 30 10 IJEE C#C[C@@H](NC(=O)N(CCOC)Cc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1F 1230509684 AVRUDTPBPWOTAR-LJQANCHMSA-N 427.278 4.804 30 10 IJEE COc1ccc([C@@H]2CCCCCN2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 1234607514 FYZXHPCZJKYMTK-HQNXYIODSA-N 448.567 4.979 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 1251831396 WVJHJCXZUZORBD-AZUAARDMSA-N 425.960 4.619 30 10 IJEE C#C[C@H](NC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1)c1ccc(Br)cc1 1275473661 DWWZFXYSVKNMSF-IBGZPJMESA-N 442.353 4.769 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)c1ccc(Br)cc1 1275474431 OKOSCQYRENDVGZ-GOSISDBHSA-N 431.305 4.677 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1(CCC)CC1 1286281988 KFLVRIXMDHPZCM-HNNXBMFYSA-N 431.378 4.754 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286333786 CMOUNDDDEHRYPO-JOCHJYFZSA-N 437.657 4.747 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1286339966 RBRWVURNGWGRAC-UXHICEINSA-N 444.526 4.744 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1286357132 FLISXZHIHJBOBS-UHFFFAOYSA-N 438.000 4.903 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCOCC(C)C 1286420498 HYYGCIZGVKTZLS-FQEVSTJZSA-N 438.641 4.657 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C/C(C)=C\c1ccccc1 1286501567 YAWPTNWZVFXWRT-SDXDJHTJSA-N 438.000 4.900 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1286522928 QHDBVXGSYLWZGP-RWCIVJTCSA-N 433.644 4.769 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1286538910 UAGXJTPCUSEHGC-SJLPKXTDSA-N 435.366 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(C)s1 1286550419 IBURFGOGUZAZCQ-UNMCSNQZSA-N 433.581 4.804 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCC(C)C 1286555727 YPNIMBGCJAFRQN-NFBKMPQASA-N 434.588 4.799 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nnc1C(C)(C)C 1286567472 QNNKRLGNCSJFFR-NQIIRXRSSA-N 439.560 4.634 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(O)(CCC)CCC)CC1 1286650203 YSBWRVKEGNXQPZ-UHFFFAOYSA-N 426.605 4.962 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCC[C@H]2C)CC1 1286654439 JPMHALYLWLHMFG-OPAMFIHVSA-N 445.405 4.661 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)nc2)CC1 1286659360 QCPCLDSCOMKPHW-UHFFFAOYSA-N 436.648 4.949 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCOC1 1286667644 MCTFTGNQPLNRKR-ZDUSSCGKSA-N 425.396 4.597 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCO1)c1ccccc1 1286679426 PDVQCDWKKHUBEG-IFMALSPDSA-N 437.613 4.609 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCCCNC(=O)OC(C)(C)C)C1CC1 1286734107 NKDWKWVHNMELLE-UHFFFAOYSA-N 429.540 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCc1nc(C)no1 1286752684 DMYAXJVXODZSGV-UHFFFAOYSA-N 438.601 4.778 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1286764312 LQMFEVISWJBHDA-DENIHFKCSA-N 437.588 4.943 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2)C1 1286827245 HZQNTXRWSYRISA-LJQANCHMSA-N 425.989 4.907 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(O)cc(Br)cc1Cl 1297578264 ZMSLPUJDIUDKNI-CYBMUJFWSA-N 447.757 4.996 30 10 IJEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1300386642 SBRRAOMFGDTYPQ-NRFANRHFSA-N 440.035 4.960 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1oc(CC)nc1C 1300438791 WDGQHTUUVOSWOZ-UHFFFAOYSA-N 425.945 4.790 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1CCCC(C)(C)C 1300563463 KAPPNTXZHYBHKZ-UHFFFAOYSA-N 427.390 4.997 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)C(F)(F)F 1300606532 NEWCZFPIEPYICJ-UHFFFAOYSA-N 429.284 4.756 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCc1csc(C(C)C)n1 1300656353 FKUZNNQCAXBPNC-UHFFFAOYSA-N 449.580 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@H]1CCCO[C@@H]1C(C)C 1300813229 DVELEXOXZHHOEZ-DFZDUAMZSA-N 434.628 4.897 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1300843143 CGWMNKFJBSZSPI-NVXWUHKLSA-N 435.366 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(CCc2ccc(F)cc2)C2CC2)nnc1C(C)(C)C 1300898454 XPXSGKOWEYEYLZ-KNQAVFIVSA-N 426.580 4.907 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1Cc2ccoc2CC(C)(C)C1 1301029323 LMESPMKZWRWHTJ-UHFFFAOYSA-N 442.947 4.897 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H](OCC)C(C)C)CC1 1301073201 XWJPPBUAMBPDQD-JOCHJYFZSA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301137620 SWWXCBBADXCICE-SFHVURJKSA-N 429.634 4.808 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCCO1)c1ccccc1 1301162812 CEJBYBPBOYYKFQ-LEWJYISDSA-N 437.975 4.969 30 10 IJEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1301223324 RPEAAUDUBYFMAU-UHFFFAOYSA-N 448.615 4.810 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(CC)cc2)nc2sc3c(c2c1=O)CCC3 1307259575 YJMHRDWIDGEGSV-AWEZNQCLSA-N 439.606 4.814 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CCCC1 1310042793 KNWDYXBNNKABQC-OALUTQOASA-N 433.618 4.611 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 1310372900 XYSMJEOFZDUDMP-OAQYLSRUSA-N 448.494 4.960 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 1310623459 AJLCPSDMFLCHDW-QFIPXVFZSA-N 441.959 4.522 30 10 IJEE CC(C)(C)OC(=O)CCc1cccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 1310675529 CAEAGBBRFWEPSI-UHFFFAOYSA-N 448.567 4.623 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1 1313097398 OPRZIUSWXPVTKM-OAQYLSRUSA-N 429.358 4.589 30 10 IJEE CCN(CCc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC1(C)C 1313793441 DSGLDWPJBOLVTR-LJQANCHMSA-N 435.597 4.905 30 10 IJEE CC(C)CN(C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 1352723756 GFOFSPRQWPDCPC-QHCPKHFHSA-N 446.551 4.524 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(Cc3ccc(Cl)cc3)C[C@H]3CC[C@H]2C3)c1 1354647214 UCBXFMCZYNUSJG-ISJBWFOZSA-N 434.967 4.767 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C)n(-c3ccccc3Cl)n2)cc(OC)c1OC 1357246721 MKNSRCDAFMCXOU-UHFFFAOYSA-N 425.916 4.510 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1358908380 VIUSNAWUDHEYIE-NQIIRXRSSA-N 435.959 4.763 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1CC 1358912087 IXFUDIXBNNQWHT-FQEVSTJZSA-N 429.609 4.575 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(C)(C)COC 1359004135 KXIVYIFESKHCBU-UHFFFAOYSA-N 447.421 4.928 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCc1csc(C(C)(C)C)n1 1359017123 UZUSBPKPHYCUFI-UHFFFAOYSA-N 437.588 4.931 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CC(O)(CC)CC 1359067024 YBOAQPHRALJKKO-HSZRJFAPSA-N 426.630 4.819 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(F)(F)F 1359104877 GYQSSNATMNGGFD-XWTMOSNGSA-N 444.542 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCc2cccnc21 1359109508 DMSYTHIKOBERLH-HXUWFJFHSA-N 447.583 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1359111210 SCSZUMCTZGRONG-JOCHJYFZSA-N 445.489 4.501 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1359200349 BMVYMWUAQIKIBB-UHFFFAOYSA-N 442.608 4.524 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1359209195 FDADMQVPCVOHIE-QFBILLFUSA-N 445.995 4.914 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1N(C)CCCC1(C)C 1359259179 NQXDGVUVANSPHP-DEOSSOPVSA-N 444.627 4.577 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCCC[C@H](SC)C1 1359309044 GMUJDTMMPCOIIY-FQEVSTJZSA-N 437.613 4.619 30 10 IJEE C=CC[C@@]1(C(=O)N2Cc3ccccc3N(C)C[C@H]2CC)CCCN1C(=O)OC(C)(C)C 1435463390 CRAYBHIYZIPNHU-NLFFAJNJSA-N 427.589 4.589 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)cc1OC 1435606546 DWXAMQMQCDFTPL-XUDAUXSOSA-N 431.536 4.515 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 1439788668 KSGMSSIPNDTNLI-OALUTQOASA-N 429.314 4.621 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCC1CN(C(=O)OC(C)(C)C)C1 1451171062 AUYPOLRZXHEUIX-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cc(C)c(Cl)cc2O)C1 1453945201 MGNUGLKGFZOHJY-VQIMIIECSA-N 436.980 4.920 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCc2ccc(I)s2)cc1 1462160329 AUFCCOXCGZKMSC-UHFFFAOYSA-N 438.334 4.779 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H](c2ccccc2F)C2CCCC2)ccc1Br 1463283525 HXLUQZWWBQQQDS-IBGZPJMESA-N 437.334 4.670 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)c1 1464674333 KRXRYCSMLFBFCK-UHFFFAOYSA-N 440.524 4.951 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccc(C)cc2C)CC(C)C)cc1 1465259362 UWVWBMQABQNHSM-UHFFFAOYSA-N 443.613 4.800 30 10 IJEE CC(C)Sc1ccc(Cl)cc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1465604813 GEMPJQRVSJZEKD-CJNGLKHVSA-N 438.981 4.721 30 10 IJEE C=CCN(CC=C)C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1467780588 CPTZSWLMYCPDNV-NRFANRHFSA-N 427.639 4.953 30 10 IJEE C#CC[C@H](NC(=O)N1CCOc2c(Cl)cc(Br)cc2C1)c1ccccc1 1469448715 UTDFYHSVAKLSFQ-SFHVURJKSA-N 433.733 4.771 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1)c1ccccc1 1469468355 LUNYSEOHSQWQES-HSZRJFAPSA-N 448.563 4.932 30 10 IJEE C=CCn1c(SC[C@H]2CCCC[C@@H]2C(=O)OC)nc2sc3c(c2c1=O)CCCC3 1472931740 YSTJAGAJIRMCTO-CABCVRRESA-N 432.611 4.594 30 10 IJEE CCCC[C@H](SCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C(=O)OC 1473025481 CJMPZQBFVCGAOK-IBGZPJMESA-N 431.533 4.508 30 10 IJEE Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2cccc(F)c2C#N)cc1 1473036902 AWEQWSBIFYKWJJ-UHFFFAOYSA-N 433.508 4.667 30 10 IJEE C#CCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1ccccc1 1473453242 DLQKMNTUDWALPL-QHCPKHFHSA-N 431.923 4.746 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCCc3cc(OC)ccc32)cc1 1476041782 NXTWJXHQZUZZLW-OAQYLSRUSA-N 433.552 4.751 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@H]2[C@H](O)c2ccccc2)n1 1476324280 CXJDFIPXBSPGHJ-RBBKRZOGSA-N 435.915 4.517 30 10 IJEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)Nc3scc(C(C)(C)C)c3C#N)C2)c1 1476646272 GRIGHPPJMRADNS-OAHLLOKOSA-N 442.585 4.582 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(C)OCCc2sccc21 1507527689 KSBWZEKMPDHSJC-IVZQSRNASA-N 426.973 4.606 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1507574032 LEDPCOSDTZCCKO-ZWKOTPCHSA-N 432.515 4.712 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1csc(C)c1 1507659986 KECNGJNHRKJAPF-GOSISDBHSA-N 438.984 4.953 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC[C@@H](C)c1ccc(OC)cc1 1507670927 AWPKGJXWNQWMQY-HXUWFJFHSA-N 432.593 4.596 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1507753493 NZTNJNYJHCFCOT-FQEVSTJZSA-N 426.630 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl 1507798118 GAHRISHSRXAROM-HRAATJIYSA-N 441.938 4.750 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1507933666 AENZDWIFIGWPFT-DYESRHJHSA-N 448.970 4.899 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cc(C(CC)CC)no1 1507969964 ASEWHIPGAHBISZ-UHFFFAOYSA-N 431.544 4.897 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1507975034 MCAZDVOXZDALOU-HOTGVXAUSA-N 433.394 4.842 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H](C)C1 1508008697 QJXWYBKWYKXSMQ-JQVVWYNYSA-N 428.552 4.667 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(SCC)c1 1508019617 HFEMETSYFVKGSI-TZIWHRDSSA-N 441.645 4.930 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1CC=C(C(F)(F)F)CC1 1508106141 VONOUYGROGVCIH-HXUWFJFHSA-N 448.489 4.832 30 10 IJEE CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)C1 1516905061 DDXHWBGPZUUQOI-JOCHJYFZSA-N 449.628 4.524 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)cc1 1523209110 BWVAGOFNFLDIJS-SANMLTNESA-N 445.584 4.992 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)C2)c(F)c1 1524789054 BMGSGIDHBRVDLP-IBGZPJMESA-N 433.458 4.880 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H](CC)CC(F)(F)F)nnc1-c1ccc(Cl)cc1 1525601065 PPUPZQXOUUBKPW-ZDUSSCGKSA-N 446.926 4.971 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnc(OCC(F)(F)F)c1 1529353511 DQMZFCWAYJPXNY-GFCCVEGCSA-N 431.336 4.596 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)c1 1529648270 XQZMDZBCXFHPRK-CTNGQTDRSA-N 439.577 4.790 30 10 IJEE C=CCN(Cc1cccs1)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 1531092599 CNYBCLSODHMYNW-UHFFFAOYSA-N 446.638 4.614 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C 1538379567 HNPBFWQAMXJLLJ-UHFFFAOYSA-N 443.547 4.573 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1Cc1ccnc(SCC)c1 1539305290 WBDHCTZHESJESR-UHFFFAOYSA-N 441.560 4.710 30 10 IJEE C#CCSCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@H]1C 1539524922 QLPRSHVPXJYJLA-IEBWSBKVSA-N 447.048 4.853 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1539534346 OTINMIGZHFFOLW-ROSOWXQZSA-N 435.616 4.629 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1539785736 AOBFLNWGRHTPGB-UHFFFAOYSA-N 444.023 4.735 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1539926259 KDASOWMQQRWFGJ-JOCHJYFZSA-N 435.660 4.976 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 1539948110 OGKCICKDHQTMQB-GMAHTHKFSA-N 437.632 4.530 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)C(F)(F)F)cc1 1540107052 QHHVXIMXWSOSGI-FOIQADDNSA-N 435.467 4.883 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1Cc1csc(CC)n1)C1CC1 1540116506 UIPCQXFIJGJPGH-UHFFFAOYSA-N 429.977 4.733 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@@H](C)C1 1540126903 AHELIOUCBVDOIB-YKSBVNFPSA-N 426.568 4.764 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[C@H](O)C1 1540185000 JIYOGNWQXBRIOS-RXVVDRJESA-N 440.975 4.978 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(OCC)CCCC2)C1 1540888165 LHKLPTWELHCLOR-SFHVURJKSA-N 430.980 4.729 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1540911599 WMASTJNEVRUPOX-FQEVSTJZSA-N 444.988 4.997 30 10 IJEE CCOc1nc2ccc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc2[nH]1 1543247926 HMTRQGCKCNCQBE-UHFFFAOYSA-N 428.467 4.815 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 1544936950 JDSXXVHLVUBBPI-GOSISDBHSA-N 433.335 4.570 30 10 IJEE COc1ccc(/C=C2\S/C(=N\N=C/c3ccccc3O)N(Cc3ccco3)C2=O)cc1 1554646687 DXMWZBJOGLDEOZ-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE C/C(=C\C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)c1ccccc1OC(F)F 1556454127 SRYYMKAKRJRRSL-YFIXDKARSA-N 445.897 4.754 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@H]2c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 1557411557 SPPJWLTTXVCCEH-IBGZPJMESA-N 442.947 4.989 30 10 IJEE Cc1cc(CN(C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)ccc1C#N 1560761235 CUHNXLSRTYBRIJ-FQEVSTJZSA-N 429.358 4.819 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc(C(F)F)cc1 1561678382 HWVMZAOFFJPLDQ-ZDUSSCGKSA-N 432.414 4.887 30 10 IJEE Cc1cc(CSc2ncccc2C(=O)Nc2cccc(C#N)c2Br)no1 1585444871 HPWWLBPSGDKMMI-UHFFFAOYSA-N 429.299 4.557 30 10 IJEE C=CCOc1ccc(C(=O)Nc2ccc(Cl)cc2SCCC(=O)OC)cc1OC 1587055492 RULMGTJDTYYIAA-UHFFFAOYSA-N 435.929 4.821 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)C[C@@H]2CC)c1 1587142077 SLGPBSAGADZKFU-XLIONFOSSA-N 447.000 4.982 30 10 IJEE COC(=O)c1ccc(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1 1587194810 ANTSLFKMMVYARY-UHFFFAOYSA-N 437.311 4.922 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1C(F)(F)F 1587608921 DIBWHKYFTOGEIV-GOSISDBHSA-N 433.430 4.976 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1nccs1 1587718899 PSXVGAGLTJWOCM-UHFFFAOYSA-N 436.404 4.666 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]1c1ccc(CC)o1 1587831291 LAPPSGPFYGWVBP-NRFANRHFSA-N 434.540 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1589171588 KXPWVFRQRNJALB-HOZJOUCCSA-N 444.526 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1([S@](C)=O)CCC1 1589599782 MCNMVPPEHJLEER-GEFUHLBYSA-N 444.645 4.739 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(C)C)C1 1593703660 LXNQCOPLZJLJIB-INIZCTEOSA-N 436.398 4.501 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CC(F)(F)CO2)CC1 1594208915 OVAKKWQSGQKZTN-OAHLLOKOSA-N 426.870 4.564 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CNC(C)=O)CC1 1594455342 OXFMXXNPDUOSOH-QHCPKHFHSA-N 437.632 4.775 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1594583137 YEIXAZKBOFHFPD-LJQANCHMSA-N 443.592 4.944 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1594739194 NYWOHPBUNWBJTM-QFIPXVFZSA-N 436.522 4.673 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCCN1CC 1595099401 AIEFYTGJBXHLMB-QHCPKHFHSA-N 434.632 4.805 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNC(=O)OC(C)(C)C 1595191795 YWVFSRHWEMUGIZ-UHFFFAOYSA-N 449.958 4.831 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)C1 1595688466 JUSRKLRGJPBFIG-GHTZIAJQSA-N 433.581 4.538 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 1596911602 WETXXMGCVPWSGS-XMMPIXPASA-N 434.561 4.602 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)c1ccccc1 1597543297 ACQKIVXTZFSMSB-SFHVURJKSA-N 444.373 4.759 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 1625509573 HRAIIWIISAZFGO-YADHBBJMSA-N 449.551 4.703 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1631154644 LQJJEMNAVXCRCX-PMACEKPBSA-N 431.458 4.817 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC(Cc2nc(C(=O)OCC)cs2)CC1 1633309249 FHCWIEOJAICCCQ-UHFFFAOYSA-N 430.595 4.693 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1636927850 UOUOFVRXFXTZQI-LEWJYISDSA-N 430.470 4.878 30 10 IJEE C=CC1(CC(=O)Nc2cnn(-c3cccc(F)c3)c2CCC)CN(C(=O)OC(C)(C)C)C1 1637179638 BCCNYYUAZGLCHM-UHFFFAOYSA-N 442.535 4.716 30 10 IJEE C=CCn1c(SCc2noc(CCCC)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640555902 CMPZDZSONHKFAF-ZDUSSCGKSA-N 430.599 4.787 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)c(OC)c1 1641515162 SMOUAWMREKKIAS-UHFFFAOYSA-N 442.968 4.820 30 10 IJEE Cc1cc(Br)c2c(c1)CN([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 1642798773 CLBIQBNCSDAUOJ-INIZCTEOSA-N 444.348 4.590 30 10 IJEE C#CCN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454723 NQBNQZIZRRKAHR-INIZCTEOSA-N 438.490 4.827 30 10 IJEE C=CCn1c(Sc2cc(Cl)nc([C@@H]3CCCO3)n2)nnc1-c1ccc(OC)cc1 1651335088 JROOOOCQWXCOIF-HNNXBMFYSA-N 429.933 4.586 30 10 IJEE C#Cc1cccc(N(CC(=O)N(C)CCOc2cc(C)cc(C)c2)Cc2cccs2)c1 1653702309 STWMWBYVBOZXRX-UHFFFAOYSA-N 432.589 4.890 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12)c1ccc(F)c(F)c1 1655030832 BTBIDYRDQNGZKX-IBGZPJMESA-N 438.883 4.771 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1OC 1657627838 IPZPNZIXMCQRFG-MOPGFXCFSA-N 436.980 4.839 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1658021104 GTSPVCUDEQXMND-UHFFFAOYSA-N 433.618 4.852 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 1659597063 PEANIQUZGSDWRQ-UHFFFAOYSA-N 447.304 4.676 30 10 IJEE COC[C@]1(C)CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 1661515139 DQIAAUGITFFUQE-LJQANCHMSA-N 438.475 4.515 30 10 IJEE C=CCC[C@H](NCc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1661985749 DSBRFZRFGURCSC-UNMCSNQZSA-N 425.577 4.647 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)c1 1666715713 KPWMGOJDAXSJSY-GOSISDBHSA-N 434.561 4.670 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1)C1CCOCC1 1668193617 SIPJNKPAVQDMRF-FQEVSTJZSA-N 436.899 4.625 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2ccc(OC(F)(F)F)cc2)n1 1668245914 DCUDHFCPPAJMKJ-UHFFFAOYSA-N 435.793 4.618 30 10 IJEE C=C(C)CCNC(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 1668293515 WUGHIXHJEGTCGO-UHFFFAOYSA-N 449.292 4.631 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCc2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 1680634005 WHLBIQXOOWWQHB-VQTJNVASSA-N 431.458 4.965 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)NCc3ccc(Sc4ccccc4)cc3)CCO2)c1 1680803304 AFCKIKLZCVZTSM-DEOSSOPVSA-N 429.545 4.993 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(C)C 1681568415 XDOWCSSCFQUSDF-DYESRHJHSA-N 439.431 4.570 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1685195252 ZZXJORQNOFLVSY-SFHVURJKSA-N 429.552 4.657 30 10 IJEE CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1685894309 HKYRVECEJMOFSV-SIFCLUCFSA-N 430.346 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1689830874 DFDMFCFUUGIXAX-XPWALMASSA-N 433.644 4.574 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1689838998 BLFTYHPLKMSINU-KBMXLJTQSA-N 425.886 4.820 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)CCc1cccs1 1689924877 XIVZKABMLHVXNV-UHFFFAOYSA-N 430.581 4.675 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCC[C@@H]1CCCCO1 1690028138 LQNJRQXVBBBMHI-FQEVSTJZSA-N 443.016 4.646 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(C)C)C1 1690161603 KSFMVPSDEFVJPP-LJQANCHMSA-N 444.670 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCOc1ncccc1Cl 1690195028 DGVZRILCQKBQQF-JOCHJYFZSA-N 442.350 4.718 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1cccc(O)c1 1690242866 DMMUYRMDHOTPNZ-RFWXGWTQSA-N 433.556 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CCOc1ccccc1Cl 1690245752 MNHOWUJRPJLHIV-RXVVDRJESA-N 430.980 4.695 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@H](C)C1)C1CC1 1690554259 ZIMHVYMEFMJKAO-HBFSDRIKSA-N 429.609 4.941 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)C1)C(C)C 1690583328 HBJCKIXZICKTBP-SSGKUCQKSA-N 443.680 4.742 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cc(C)cs1 1705508868 XHWQNIGMJBXKAL-UHFFFAOYSA-N 435.597 4.957 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1705546789 LUQHAERTMHAONI-UHFFFAOYSA-N 439.350 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1ccncc1 1705668752 SOFJCUZUQLZNPD-MHECFPHRSA-N 435.959 4.701 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1ccco1 1705696403 GPTQWHXZBROQRH-FGSXEWAUSA-N 440.519 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(OC(C)C)c1 1705704142 QRPPKQUDNAMIFM-UPVQGACJSA-N 447.583 4.745 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N(C)Cc1cccs1 1705704930 AQZHFBKWZRKUHL-WMZHIEFXSA-N 438.597 4.579 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(F)(F)CC1 1705705507 IIRUQOYXUVXABF-IRLDBZIGSA-N 430.543 4.670 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccco1 1705706982 CBSJRPMMGPCLAK-WJJPVSRMSA-N 442.604 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CC1(CN2CCOCC2)CCCCC1 1705712579 ZCFKCXMHWFJHQW-UHFFFAOYSA-N 441.620 4.532 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN(C(C)C)C1 1705719502 AXKJIEMSYDOFKG-HXUWFJFHSA-N 429.584 4.519 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C2CC2)C1 1705731735 BLCBWKKHMDDCOD-GOSISDBHSA-N 431.378 4.537 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC(=O)NC)CC1 1705788766 MKNNHDBJTFOARD-UHFFFAOYSA-N 435.572 4.646 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705790952 KCNBHZFTRQFELG-PKOBYXMFSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1705792053 LJYVJVXFRBHTSI-IBGZPJMESA-N 433.641 4.915 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(c2nccs2)CC1 1705813377 FMBPRLWCJZLNAU-UHFFFAOYSA-N 446.983 4.877 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1 1705825160 LKFNJIFEHQGUKV-PXDATVDWSA-N 437.588 4.758 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CCC[C@H]1C 1705836727 DQPDIQZETSLQSK-YJYMSZOUSA-N 439.785 4.534 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccccc1Cl)N(C)C)C1CC1 1705853246 UWOIORGLXLCMCW-QFIPXVFZSA-N 436.991 4.760 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CC(=C)Br 1705860798 WLHBYXKNEUKBDV-UHFFFAOYSA-N 426.362 4.909 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(c3cccs3)CC2)cc1 1705910124 RXABOALONLBUSN-LJQANCHMSA-N 437.613 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1csc(C)n1 1722276786 JALMMBSUYIEGJH-LSDHHAIUSA-N 429.977 4.537 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cnn(CC(C)C)c1C 1722285722 WTWZYQODPJETRC-LJQANCHMSA-N 432.616 4.910 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCO[C@H]1CCCC[C@H]1C 1722293464 RSPYPEGIRTWTSY-DXIQSLLYSA-N 433.556 4.653 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC(C)(C)N[C@@H](C)c1ccccc1 1722399185 PTKHHISKVQVSKZ-QFIPXVFZSA-N 431.628 4.603 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1cccs1 1722421046 NZIOEBDNSVATFT-UHFFFAOYSA-N 435.380 4.642 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCn2ccnc2C1 1722500655 JYQJFRSIWCOHCO-VXKWHMMOSA-N 448.615 4.896 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)OCCc2sccc21 1722503159 RHWBBLVTYRUUFY-DEOSSOPVSA-N 433.581 4.769 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCS[C@H](C)C1 1722536107 REGWRNICZZTXGO-HXUWFJFHSA-N 444.645 4.823 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N(CC)Cc1cccs1 1722546709 VEKRKHABHUKJSV-UHFFFAOYSA-N 440.798 4.887 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCCC[C@H]2C)CC1 1722567961 SUKRKKKHIRRDSQ-HXUWFJFHSA-N 428.024 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1Cc1cnn2ccccc12 1722665814 PCSLMOIAFYBOSO-UHFFFAOYSA-N 449.356 4.582 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccccc1-n1ccnc1 1722674643 FUCSBPLPFOPEQN-UHFFFAOYSA-N 430.556 4.638 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CCNC(=O)OC(C)(C)C 1722675684 REAMKAAJYLNJBG-UHFFFAOYSA-N 441.620 4.627 30 10 IJEE CC(C)SCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1723731353 GRTMDKXTRTZMDB-GOSISDBHSA-N 428.364 4.835 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCCC(F)(F)C1 1740560678 NTBYZZCBWXIYPE-QUCCMNQESA-N 430.543 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1=CCCCC1 1740563730 VZPXRRWMIDFFBK-ICSRJNTNSA-N 427.593 4.699 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1cccs1 1740799227 IMEDESJHQZSTKW-WOJBJXKFSA-N 432.634 4.530 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740845586 UXJZCOIDYNKPLE-HSZRJFAPSA-N 448.615 4.520 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740850833 LKOXGTYKKDDSRR-UHFFFAOYSA-N 431.028 4.844 30 10 IJEE C=CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)C)c1ccccc1 1740854153 LYQPKWKLWCKISX-IBGZPJMESA-N 435.572 4.848 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1740869682 VQZSMXJTVPAUED-OAQYLSRUSA-N 437.632 4.852 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1ccsc1 1740894228 MTCJXEFKAVRCGL-QRQCRPRQSA-N 428.627 4.723 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@]1(C)CCCS1 1740915225 YQNSSRREJKXUHY-XMMPIXPASA-N 430.581 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccccc1OC(C)C 1740921680 DONHWQDGBDKFLF-UHFFFAOYSA-N 446.580 4.825 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C(C)C)C1 1740922255 ZKEWENSZXZXEPM-FQEVSTJZSA-N 436.629 4.715 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@](C)(CC)O1 1740924507 UTPFXQKABHOXSF-YKSBVNFPSA-N 437.613 4.866 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1CCC1(OC)CCC1 1740928162 WGSVBSQLSNAUCD-UHFFFAOYSA-N 437.407 4.907 30 10 IJEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1ccc(Cl)s1 1743368056 HOWSIUNFYLDYQI-CQSZACIVSA-N 430.002 4.716 30 10 IJEE CCSc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1747479095 FTNBQEWZRXCETQ-DEOSSOPVSA-N 432.597 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@H](C)c1nccs1 1748639389 GGBXYSAWQBKNKQ-FGTMMUONSA-N 439.585 4.535 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(c2cnn(C)c2)CC1 1748737179 YPOSGFWZGPDMFR-OAQYLSRUSA-N 446.599 4.566 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCCC 1748771978 LYWOQWHMRQTEPD-CTNGQTDRSA-N 444.023 4.796 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1748800304 UOTHBCWDZHIPDM-QGZVFWFLSA-N 437.638 4.578 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccccc1 1749384599 DQIHVCCOLLTKMI-JOCHJYFZSA-N 437.632 4.578 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@@H]1C 1749386935 OREUFNCEACAXSG-JTAQYXEDSA-N 440.588 4.646 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1CC 1749398577 LHFZPVOKCKOCHU-GHTZIAJQSA-N 434.588 4.656 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccsc1 1749536770 XAZSGWUJCLEHRV-XMMPIXPASA-N 438.597 4.621 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](OC)C(C)C 1749548886 MYHKQFHXRKWEPF-OAQYLSRUSA-N 440.569 4.599 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCCc2nc3c(s2)CCCC3)C1 1749712926 NEZHZHLJXFXUFL-GOSISDBHSA-N 443.661 4.616 30 10 IJEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(C)C)C1 1760130208 HAEVIJDSSWQEOV-LJQANCHMSA-N 440.588 4.647 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CCCOC1 1760131725 YOBRLPNTNIKTGS-RTBURBONSA-N 430.980 4.738 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CC[C@@](C)(CC)O1 1760241393 YKSXETWWBSDECG-PXDATVDWSA-N 436.531 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(OC(C)C)nc1 1760291495 QVPSLPZWPBCRIQ-AREMUKBSSA-N 429.568 4.730 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCCSC 1760301652 GPSMGVUDLSOLPJ-UHFFFAOYSA-N 447.349 4.644 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCOC(F)F)CC1 1760384324 SMLILPXEAMQALZ-UHFFFAOYSA-N 445.283 4.632 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(Br)cc2)CC1 1760388315 LWQPFHMYZCCKEH-UHFFFAOYSA-N 438.373 4.810 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1CC 1760482038 QBVSPUDNMYWEKW-VXKWHMMOSA-N 444.583 4.944 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C(C)(C)C 1760486653 VPPPDQZKOVWZNG-FQEVSTJZSA-N 425.602 4.964 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CCN1CCCC(C)(C)C1 1760501677 YYOVVFMZPSKLJJ-UHFFFAOYSA-N 427.637 4.817 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(OC)CCCC1 1760502357 WLCZHQUJWSJHOL-SFHVURJKSA-N 444.645 4.729 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCC1CCOCC1 1761520338 FLHYISZJWOYKIC-SFHVURJKSA-N 441.551 4.504 30 10 IJEE Cc1ccc(-c2ccc(/C=C3\SC(=Nc4nnc(C)s4)N(C)C3=O)o2)c([N+](=O)[O-])c1 1772736241 JXEKNOKSGKLGOD-OJAARZAFSA-N 441.494 4.557 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)Nc1cccc(C#N)c1 1858839915 WBDUHQQBRVUOIV-HNNXBMFYSA-N 449.898 4.965 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@H](C)CC)c1 1862459230 FNIIHQYPQAAEPW-ODXCJYRJSA-N 433.426 4.879 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc2cc[nH]c2c1 1862463572 ISXZDHGRTJFBAN-YBTHPKLGSA-N 428.410 4.962 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2cccc(C)c2)cc1 1862475750 TXINZDZBJDMXLR-DEOSSOPVSA-N 427.500 4.961 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(C(C)C)cc2)cc1 1862477134 IMALXDJVKTYQIC-HSZRJFAPSA-N 429.520 4.663 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CC(C)C)cc(Cl)c1O 1862513044 XYTHYKAUCIGWMP-IBGZPJMESA-N 447.890 4.736 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1 1862527222 SEKURTNLWACOJK-KRWDZBQOSA-N 432.701 4.867 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC)cc1OC 1862553778 ORBYVBMJULRQQM-QHCPKHFHSA-N 435.520 4.571 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(OCC)cc1 1862643117 UIEUHRQVEDUZKY-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CC(C)C)ccc1O 1862651681 ATKMKQJNVFCQPK-HSZRJFAPSA-N 431.488 4.788 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 1862801577 VLDWBUKYXQMAHM-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE COc1ccc(Cl)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(C)cc2)C1=O 1862894421 MFRDXENNUXJRSY-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(OC)cc2)C1=O 1863672354 MWVSHKXCCWSWKC-QFIPXVFZSA-N 442.600 4.684 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1Cc1ccc(C(C)C)cc1 1870111835 DPQRBJUFFROFRX-UHFFFAOYSA-N 444.322 4.889 30 10 IJEE CCOc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc(Oc3ccccc3)cc2)cc1 1870148457 NTZPYWBFEQBFEI-UHFFFAOYSA-N 439.475 4.511 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870568793 UPMCPBVHCLWKDU-FGZHOGPDSA-N 447.664 4.592 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871387092 YBCZYISYILIZBS-QRVIBDJDSA-N 444.439 4.958 30 10 IJEE CCCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871391070 QXNMSKMOPVVFEN-JCMHNJIXSA-N 443.455 4.931 30 10 IJEE COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 1871425055 FDTRLYOVMGAKJP-XLFQKYORSA-N 445.471 4.726 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)c1 1871456066 KUBHCFDVZLKXJL-CFRMEGHHSA-N 445.471 4.646 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)C(C)C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872127209 GCOYVFTVLWPBIT-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872256195 WBDKDGIZGVAOKO-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)CC)S(=O)(=O)c1cccs1 1872380511 OQMLNUQBWHRRNQ-IFXJQAMLSA-N 442.553 4.647 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872449433 ODYSOZRUYWMKNF-SFHVURJKSA-N 434.989 4.778 30 10 IJEE CC[C@H](C)OC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)cc1 1872724376 CVFRKYKLALOFJR-HNNXBMFYSA-N 447.560 4.790 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(O)cc1O 1874214331 HJJRHLMZTWCNSD-OEAKJJBVSA-N 444.944 4.515 30 10 IJEE OCCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccccc1Cl 1874244552 BYOZJKPKGBOWDR-ZVHZXABRSA-N 431.005 4.657 30 10 IJEE CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874275831 IRJQHJYWBZIPIW-SRZZPIQSSA-N 436.324 4.882 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2O)cc1 1874291963 FFDZCYOYHJGLHZ-MFKUBSTISA-N 446.532 4.746 30 10 IJEE CCCOc1ccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC)cc1 1874295013 FRZKMGIWQPSGDG-PXLXIMEGSA-N 425.514 4.560 30 10 IJEE C(=N/n1c(CCCOc2ccccc2)nnc1SCCc1ccccc1)\c1ccccn1 1874316021 XPGXITRREFLUJY-NHFJDJAPSA-N 443.576 4.902 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc(OC)c(OC)c1 1874320689 DVDOXQROQZHGOV-ZVHZXABRSA-N 438.553 4.651 30 10 IJEE Cn1cccc1/C=N/n1c(CCOc2ccccc2)nnc1SCc1cccc(F)c1 1874344178 AHNOFZFTTFNDQT-PCLIKHOPSA-N 435.528 4.552 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cccc2ccccc12 1874359550 MDVFZXRPMDCCOF-CVKSISIWSA-N 444.560 4.786 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1c[nH]c2ccccc12 1874478080 SFWSPBSDGQDSPU-ZMOGYAJESA-N 437.525 4.656 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCC)nnc2SCc2ccc(C(=O)OC)o2)cc1 1874507245 SMLXZTLYJSZJAM-OEAKJJBVSA-N 442.541 4.574 30 10 IJEE CCCOC(=O)COc1c(/C=C/C(=O)c2cc(C)c(Cl)cc2OC)cccc1OC 1874588762 CFIAHRBLYRESDV-MDZDMXLPSA-N 432.900 4.894 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 1874609786 KGIPZOZVKHXCIX-NTUHNPAUSA-N 435.451 4.757 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)c1ccccc1[N+](=O)[O-] 1875128320 VVSPAXGKWBIMDA-OUKQBFOZSA-N 433.416 4.727 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OC(=O)CCOC 1875128680 OWOJHWOQJWIQGI-MDZDMXLPSA-N 433.298 4.686 30 10 IJEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c(Br)c2)c1 1875139722 WYYWIBPEFGKEEX-FNORWQNLSA-N 437.293 4.971 30 10 IJEE C=C[C@]1(Oc2cc(Br)nc(C(C)C)n2)CCCN(C(=O)OC(C)(C)C)C1 1881883277 RAAPFXKCBHJPNZ-IBGZPJMESA-N 426.355 4.697 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)s1 1890654673 QQRBYBSFQZUWDB-UHFFFAOYSA-N 427.526 4.650 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)c1csc(CCNC(=O)OC(C)(C)C)n1 1922120046 QUBODOOTDONVPQ-NRFANRHFSA-N 431.602 4.634 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C 1922120343 SJHRKMDHQAVONN-DHLKQENFSA-N 432.605 4.544 30 10 IJEE CC(C)(c1ccccc1C#N)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952553564 UCUXVZWGCJNGPM-DEOSSOPVSA-N 440.499 4.828 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(C)(C#N)CC1 1984696232 VNBYZLHYMSJZSW-XMMPIXPASA-N 445.563 4.702 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 2032368306 ITYGRSAGYZQZEV-YLJYHZDGSA-N 445.560 4.976 30 10 IJEE CC1([C@@H]2CSC(=Nc3ccc(I)cc3Br)N2)CC1 2033114706 OJAQGWZKDVSSIL-NSHDSACASA-N 437.144 4.546 30 10 IJEE C[C@H](C(=O)Nc1ccccc1C#N)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034818194 KIJHQRRUBVQQQD-JOCHJYFZSA-N 426.564 4.519 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2047967913 NIHVNFXZWHUGKD-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]21 2048094212 GUWUEONQQBPOOU-HYFFOGBASA-N 448.568 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)CC[C@H]1C 2076317012 IPTDWQJOQFUAJL-VIICAESSSA-N 446.632 4.526 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)c(C)c1 2079083315 YEHDQQMTFFDIET-AWEZNQCLSA-N 445.226 4.994 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C(C)(C)C)c(/C=N/O)c2I)c(F)c1 2079112668 XYGQKLZSXNFSMT-GXBAXFRPSA-N 429.277 4.650 30 10 IJEE CC1(C)OB(c2ccc(CN[C@@H]3CCCCCN(Cc4ccccc4)C3)cc2)OC1(C)C 2094845891 WEPFRUBYHSIXCT-RUZDIDTESA-N 434.433 4.520 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCCCN(c2cc(Br)cc(F)c2C#N)C1 2118154314 YLOPFPFIWLETCE-AWEZNQCLSA-N 426.330 4.734 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](Nc3cc(Br)c(C#N)cc3F)C(C)(C)[C@@H]21 2175899391 VEVOJNONVUQWTK-OAUYIBNBSA-N 438.341 4.906 30 10 IJEE CN(C(=O)OC(C)(C)C)C1(COc2cc(Br)cnc2C#N)CC2(CCC2)C1 2198810946 LPPYVPGVQDELCI-UHFFFAOYSA-N 436.350 4.664 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2 2235722337 SCSPOSDNWGEKCC-OSFYOIPJSA-N 433.390 4.616 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)F 2235729611 NGSDVSIGHBUPLV-ZWKOTPCHSA-N 441.385 4.810 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2237825083 NZONTFFOOLJPJS-YVWKXTFCSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C(F)(F)F 2245894913 YZYQJIAVGYHXAV-KUHUBIRLSA-N 433.471 4.610 30 10 IJEE CCN[C@H](C#CC1CCCCC1)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2260993788 ZZVQGVXZUAAIRV-SQHAQQRYSA-N 439.644 4.718 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2cccc(Cl)c2Br)C3)OC1(C)C 2283201398 CTTSISHSOHPIHQ-BLVKFPJESA-N 440.574 4.801 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(OCCNc2c(Br)cccc2C#N)CC1 2285181515 WJSOWMNMJCPNQT-UHFFFAOYSA-N 438.366 4.585 30 10 IJEE CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccc(Cl)cc2)C1=O 2293261731 QHRWKKWMZVPWQO-UHFFFAOYSA-N 430.869 4.792 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@@H](N)C#Cc1cccc(Br)c1 2296220173 VNPAMXJEMLNHMV-YSIASYRMSA-N 435.406 4.992 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)[C@H](O)c1sc(Cl)cc1Br 2296271881 GSQGXRRIWNXMFG-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 2296290618 FMJNFYLJISNPIA-WOJBJXKFSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 2296302157 FGZCUNZDRLJEMT-OXJNMPFZSA-N 435.406 4.672 30 10 IJEE N#Cc1nc(C=Cc2ccccc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 2297576222 LVIMVHQCQPWQPU-JOCHJYFZSA-N 434.927 4.855 30 10 IJEE COc1ccc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1OC 2297745768 BAMRLDRIKVNSNG-QHCPKHFHSA-N 429.472 4.639 30 10 IJEE CCCN[C@@H](C#CC1CCC1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2300400219 QHKCXZDFLCGXRR-QHCPKHFHSA-N 426.601 4.612 30 10 IJEE CCCC[C@H](CC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319667922 BFSWSDKYMVXVQI-HXOBKFHXSA-N 438.418 4.545 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2322687451 AWHPCGYVIBKVNW-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1cc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)ccc1O 2325471305 ZTFTWMDRKLCYAE-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)COCc3ccccc3)c2)c1 2325744605 DJWPRFDABFSHPZ-UHFFFAOYSA-N 432.472 4.722 30 10 IJEE CSc1nnc(Cc2ccc(Br)cc2)n1N=Cc1cn(C)c2ccccc12 2325925543 ICQOEQIZRYWAIQ-UHFFFAOYSA-N 440.370 4.727 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(C(=O)O)cc1 2327208120 LVIKWNPUCGQVBW-UHFFFAOYSA-N 438.553 4.681 30 10 IJEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(OC)c(OC)c(OC)c1 2329590479 DDPTWNBHEWLBEE-UHFFFAOYSA-N 444.944 4.785 30 10 IJEE Oc1ccc(C=Nn2c(SCc3cccc(F)c3)nnc2-c2cccs2)c(O)c1 2330557337 FHRHICHLLOAXKI-UHFFFAOYSA-N 426.498 4.731 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccncc1 2330731966 SAFGOQZEJDRVCN-UHFFFAOYSA-N 433.460 4.613 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Cl)c(Cl)c1 2330736934 BYKPAJZBVAEFNA-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE Cc1ccc(O)c(C=Nn2c(SCc3ccccc3Cl)nnc2[C@@H]2CCCO2)c1 2330961688 UXIQVBLHNARULA-IBGZPJMESA-N 428.945 4.972 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@H]1CCCO1 2330990227 ZSJLJXVJQHKLFZ-GOSISDBHSA-N 442.928 4.656 30 10 IJEE CC(C)c1nnc(SCCO)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331711390 CGMZCBMKNIMCQC-UHFFFAOYSA-N 430.961 4.601 30 10 IJEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)Nc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339584642 DPKPSQVKPHSMDF-KRWDZBQOSA-N 443.397 4.784 30 10 IJEE C[C@@H]1C[C@@H]1N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339598925 JSPXYHXAEZMSSE-MJGOQNOKSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)C1(C#N)CC(N)(C(F)(F)F)C1 2340424750 YUADHZKRMAEWNS-UHFFFAOYSA-N 434.256 4.507 30 10 IJEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357062922 DNWZIVMGFQKERE-UHCVVMIDSA-N 447.428 4.802 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 2360195847 FCGUOKXNASUNDH-FYQPLNBISA-N 433.390 4.567 30 10 IJEE C=CCC(CC=C)OC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2360214213 GAULNOGOEKBGLW-SFHVURJKSA-N 438.362 4.949 30 10 IJEE CN[C@H](C#C[C@@H]1CC1(C)C)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2365093806 QGYYZADJKLSFGS-BHIYHBOVSA-N 435.406 4.522 30 10 IJEE C=C([C@H](NCCC)[C@@]1(O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1)[Si](C)(C)C 2370882576 GDFMVIJEOXCEHR-AOHZBQACSA-N 432.681 4.586 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@]2(O)C#Cc1ccc(Br)cc1 2381035317 WNUSNYPQVMUVTN-LFWOZUSOSA-N 434.374 4.635 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=O)COc1ccc([C@@H](C)CC)cc1Br 14831957 FHXQYUKRQXSMBR-HNNXBMFYSA-N 445.357 4.896 30 10 IJEE O=C(CSc1n[nH]c(N/N=C/c2cccs2)n1)N(C1CCCCC1)C1CCCCC1 20834224 ZZQUDYQEPCAHLH-HYARGMPZSA-N 446.646 4.898 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(Nc2ccc(SC(F)F)cc2)s1 36773119 VVKDBLLUJZTRRP-UHFFFAOYSA-N 428.555 4.889 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc(-c2cc(Br)cs2)no1 63287286 LJWJJVNBGVAGQR-UHFFFAOYSA-N 435.303 4.657 30 10 IJEE N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)N2CCc3ccccc3C2)CC1 64473759 YMJNDWMZVVNPLN-UHFFFAOYSA-N 430.939 4.561 30 10 IJEE Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2=O)cc1 108371138 AGHIJFMYNUKCNH-JOCHJYFZSA-N 439.515 4.632 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2)cc1 170028947 TXFZBVHCSLSKIS-QHCPKHFHSA-N 429.472 4.877 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2)cc1 170113661 JDHDTRRIVKBYME-VOIUYBSRSA-N 441.483 4.802 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(C)c2)cc1C 170139989 MEYCCXUNFMTXJR-QHCPKHFHSA-N 437.536 4.624 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccs2)c1 170153751 DSRZYSPSAMHCTA-NRFANRHFSA-N 435.501 4.857 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccnc2)cc1C 170187193 CREIWTOHBIJPSH-DEOSSOPVSA-N 440.499 4.806 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@@H]1c1cccnc1 170190571 JNZGFEICLNNFLY-JOCHJYFZSA-N 432.451 4.629 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1cccnc1)c1cc2ccccc2o1 170191899 DXOSJEVVQDVAIO-NRFANRHFSA-N 432.382 4.889 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC(C)C)c3)[C@@H]2c2ccncc2)cc1 170204357 MDCNQFNSBXFEIY-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccc(OCC)c(OC)c1 170216271 QCYPENAMYVVRRP-QFIPXVFZSA-N 434.492 4.564 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccc2)c1 170222664 QYRMCFBKPIGZJQ-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(Cl)c1 170246529 CJJAFLVXGNYOIJ-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)c(OC)c3)[C@H]2c2ccco2)cc1 170284509 SJUZDBRSBKJCTJ-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2CCCN(C)C)o1 170308910 XDUTUOONVBDRJH-HXUWFJFHSA-N 442.899 4.518 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC(C)=O)c1 170321063 YMXBYZTWKSFOCH-HXUWFJFHSA-N 427.884 4.644 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1ccc(O)c(Cl)c1)c1ccco1 170367162 RAPXSKITMGBEKZ-GOSISDBHSA-N 431.778 4.700 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2OC)cc1 170411481 CDQSOGSQUBYABX-JOCHJYFZSA-N 449.528 4.586 30 10 IJEE CCOc1cc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2cc(C)ccc2C)ccc1O 170465965 ONHVAXSOINDQHG-QFIPXVFZSA-N 437.536 4.919 30 10 IJEE CCOc1cc(C=NNc2nnc(SCc3ccc(Cl)c(Cl)c3)[nH]2)ccc1O 254845471 VLWSDIIINTYVDS-UHFFFAOYSA-N 438.340 4.954 30 10 IJEE Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 439356988 LOXMUZFCLXTCGI-XMMPIXPASA-N 429.524 4.824 30 10 IJEE CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC1CCC(C#N)CC1 442729127 LYGLBMOEZIIWPG-UHFFFAOYSA-N 425.404 4.787 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 460383739 CRZFEQREHAHKMT-UHFFFAOYSA-N 433.512 4.796 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(c3ccccc3Br)CC2)cc1 475256305 AGHCGGKPCOSTBS-UHFFFAOYSA-N 439.353 4.934 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(F)c2)cc1OC 526517669 VDPFQYMRMJLUGE-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE CCCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1ccc(OC)cc1OC 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30 10 IJEE O=C1C(=NNc2c(F)c(F)c(F)c(F)c2F)c2ccccc2N1CCOc1ccccc1 1084189687 JPFMMFQHMGHYQE-UHFFFAOYSA-N 447.363 4.624 30 10 IJEE O=C(CSc1n[nH]c(NN=C/C=C\c2ccccc2)n1)Nc1c(Cl)cccc1Cl 1084518447 KHZZIVHMLBAHGS-ZXPANVQOSA-N 447.351 4.953 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 1129379269 HYBRJJKBARIOEV-JWQCQUIFSA-N 425.532 4.833 30 10 IJEE C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1129566065 CXIZWIUPKDSFAQ-KRWDZBQOSA-N 433.458 4.980 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)Nc2nsc(Cc3ccc(F)cc3)n2)o1 1129869609 AHLKAAWEPZWCGK-UHFFFAOYSA-N 434.452 4.564 30 10 IJEE C=C(C)C[C@@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)OCC 1132934435 JHNRRIYYFVVTLT-OAHLLOKOSA-N 427.353 4.674 30 10 IJEE C=CCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)cc1OC 1136780464 FIQRCYBGPTULEN-UHFFFAOYSA-N 444.572 4.656 30 10 IJEE C=CCC[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1C)c1ccc(C(F)(F)F)cc1 1137721990 SSGCNVIKTAOBQR-PMACEKPBSA-N 433.474 4.937 30 10 IJEE 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C=CC1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC(F)F)c(OCC)c2)CC1 1286659086 JKUJOARSLJNKAU-UHFFFAOYSA-N 434.531 4.927 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1286693195 MZXVOFIKQVNUMF-PXNSSMCTSA-N 429.996 4.843 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 1286735217 RCPCEORRGQASLA-UHFFFAOYSA-N 443.979 4.620 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCc1sc(C)nc1C 1286743191 WSRDEOVZBCLZMM-UHFFFAOYSA-N 434.613 4.956 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CCCN1CCCCC1=O 1286747547 JVNHAJFZSHFREQ-UHFFFAOYSA-N 435.597 4.602 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[C@@H]1CCO[C@H](C)C1 1286960030 BWUXGGONXPYDKO-WJFTUGDTSA-N 441.645 4.932 30 10 IJEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCCCC2)C1 1286980400 AMRPUQKHXSADLL-QFIPXVFZSA-N 448.615 4.528 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(C3CCCC3)n2Cc2ccccc2Br)C1 1288976501 ALTDJEVGFFWFKF-OAQYLSRUSA-N 428.378 4.877 30 10 IJEE Cc1cnc([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H](C)C#N)s1 1290294632 FQEBPGKAOPGNOB-CRAIPNDOSA-N 438.601 4.638 30 10 IJEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)[C@H]1C 1291175288 DMNZZDKRPKNLMQ-IRXDYDNUSA-N 429.515 4.789 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccnc1OCCC 1300285269 ZNNBJSQKEAMRGE-ROUUACIJSA-N 449.624 4.821 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1300384943 WVXVAQHGNGVUCC-RPWUZVMVSA-N 430.600 4.888 30 10 IJEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1300743347 NLDVQYGSYDMIMV-SFHVURJKSA-N 442.629 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1300874472 MRTRNKAHFQSEGV-ZCNNSNEGSA-N 429.634 4.840 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CCC(C)C 1300893006 XLKYCNITNZPGHP-XUZZJYLKSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1300897461 RQSZVQADSNXABU-ORVPSHMPSA-N 442.579 4.992 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCCC1(C)C 1300905552 AUKVYYMERBBJGW-RUZDIDTESA-N 442.604 4.696 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1300936941 BEGVTIGOSSBYTJ-UHFFFAOYSA-N 442.007 4.794 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1301087347 CZZXSMYSLKRISX-OAQYLSRUSA-N 425.596 4.677 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301154518 UMFOOITWBQTGOO-NRFANRHFSA-N 448.615 4.727 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)c1nccs1 1301178477 MPQRCSYMVKGYML-QGZVFWFLSA-N 439.585 4.769 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1301187074 PDUGOXOTBORKQD-OAQYLSRUSA-N 425.577 4.627 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1c(C)nn(C)c1C 1301202474 KIFZEEQNVWEUSP-GOSISDBHSA-N 426.540 4.510 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@](C)(O)C1CCCCC1 1301281401 MLXZJQUIWFRXLD-RUZDIDTESA-N 442.604 4.694 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CC1(SC)CCOCC1)C1CC1 1301331707 ROFXUPLHZDEQDG-UHFFFAOYSA-N 444.670 4.946 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC1(N(C)C)CCCCC1 1301340311 YEFGRASBOAAKCR-UHFFFAOYSA-N 432.616 4.874 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1Cc1nc(C(F)(F)F)cs1 1301349696 NXQORTUNURSAJK-UHFFFAOYSA-N 437.491 4.531 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@H](C)C1 1301350443 YHBHLEAYUXWBMM-OALUTQOASA-N 448.546 4.693 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2oc(CCC)nc2C)C1 1301544937 BAHZINYKTZPJIF-KRWDZBQOSA-N 441.963 4.677 30 10 IJEE CCC(CC)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCC2)on1 1305718899 GGOFEJHNVCFIAT-UHFFFAOYSA-N 434.544 4.657 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 1307501709 STOQJMZUIMCLOD-OALUTQOASA-N 432.033 4.683 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)CSc1ccc(Br)cc1 1339188156 OTTWCHWDICKIBV-UHFFFAOYSA-N 426.719 4.840 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)C3=Cc4cc(Br)ccc4OC3)cn2)cc1 1350585464 HMHQTUXMUBMXHV-UHFFFAOYSA-N 448.276 4.923 30 10 IJEE C=CCN(C(=O)Cc1nc(C2CC2)nn1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1350806798 FIMBBXSPBSKTRY-UHFFFAOYSA-N 448.379 4.885 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cc(Cl)nc(C3CC3)c2)c(C(=O)OCC)c1C 1357818078 TYXGCGGOVKRAKZ-UHFFFAOYSA-N 448.928 4.754 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 1358079906 HHIUEDBBIFQFAS-JOCHJYFZSA-N 431.923 4.799 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1oc(=O)c2ccccc2c1C 1358208768 RYKPXVFRYDGIDS-UHFFFAOYSA-N 430.273 4.831 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCN(CCC)C(=O)OC(C)(C)C 1358879029 JOQIPFRPHNCGFR-LJQANCHMSA-N 439.604 4.613 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1358910222 HYMDMLWWMVBAJX-HSZRJFAPSA-N 448.659 4.933 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1358922272 YYNGAZHFLYBPMV-RBUKOAKNSA-N 432.515 4.600 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(-c2ccsc2)nc1 1359002466 AHWWRMLIPHIVBZ-UHFFFAOYSA-N 429.549 4.585 30 10 IJEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2[C@@H]1CC 1359053544 QNMCBFHIINCDRX-FQEVSTJZSA-N 433.606 4.758 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC1(C)C 1359080183 IYZZUHDSKMLUNM-UHFFFAOYSA-N 435.366 4.640 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(OC)c(OC)c1 1359100059 WJEZJSZKQMKLBB-WMZHIEFXSA-N 442.604 4.502 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)Sc2ccccc2)CC1 1359159910 IBSSPLSTZUAYJV-YKSBVNFPSA-N 442.629 4.656 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnc(C)s1 1359196383 FSGHRKFQOBPFEJ-UHFFFAOYSA-N 449.584 4.590 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC=C(Br)C1 1359203199 KGPDGMFACFINIJ-IBGZPJMESA-N 445.361 4.636 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1359204397 NNNPGAPWYQBEHL-LJQANCHMSA-N 440.979 4.954 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(OC)nc1 1359262579 YFSHJHYJMIHQBN-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCOC[C@H]1C 1359277425 LWSREAXNWWONJK-TZIWHRDSSA-N 438.547 4.509 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC(C)C)c3cc(Cl)ccc3OC)cc2C1=O 1360840342 MXHHHHVBKZWCEH-FQEVSTJZSA-N 440.927 4.648 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](c2nccs2)C(F)(F)F)s1 1436397476 FPYCTIYZPHQYKO-LLVKDONJSA-N 427.926 4.715 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)c3cccc(C(F)(F)F)c3)n[nH]2)c1C 1443099408 LWRPWRDEQCBDDX-UHFFFAOYSA-N 445.489 4.802 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1C(=O)OC(C)(C)C 1460201342 AQNASIVEMJZHLE-NTKDMRAZSA-N 443.544 4.647 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cc(-c3ccccc3C)nn2CCO)cc1OC 1461140201 FKFKTXFZFVPZFV-UHFFFAOYSA-N 427.932 4.690 30 10 IJEE N#Cc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c(F)c1 1464711552 CGARBDFZGNQFFY-DEOSSOPVSA-N 433.914 4.898 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 1465331167 GABDJJTUOQFBOS-SNVBAGLBSA-N 433.386 4.586 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1466110779 RKUPORVPQVTWQI-ROUUACIJSA-N 439.275 4.986 30 10 IJEE C#C[C@](C)(CC)NC(=O)C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1468175250 ITBVQZOOYWWZRD-PIIWDFAUSA-N 444.575 4.956 30 10 IJEE C=CCC[C@@H](C(=O)N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1)c1ccccc1 1468207815 MUZVQJUNVGFGIV-HSZRJFAPSA-N 433.548 4.791 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCc1cccc(Br)c1 1468492452 LLIHEMAXEDGIDK-UHFFFAOYSA-N 440.341 4.514 30 10 IJEE C#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CCC2 1468557831 KKOVJVKALHKCSA-POLXVDLBSA-N 430.935 4.879 30 10 IJEE C#C[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)c1ccc(F)cc1 1470656386 BHNUWXZUCPUFOP-BVAGGSTKSA-N 444.506 4.875 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(OCCc2ccccc2)CC1)c1ccc(Br)cc1 1470663862 SJMVAWPGJFJFBY-JOCHJYFZSA-N 441.369 4.557 30 10 IJEE COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 1471742036 GBHQSCVKPDXVTO-CRICUBBOSA-N 446.503 4.528 30 10 IJEE C=CC[S@@](=O)(=NC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1 1472276276 ZRFAJXVDRUFASE-GEFUHLBYSA-N 442.581 4.752 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1-c1cccc(OC)c1 1472999377 ONVWHJHNTVLVLG-VPMQLGLMSA-N 440.613 4.561 30 10 IJEE C=CCCN(OCc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1Cl 1475211335 FUQIMEMGCJCACX-UHFFFAOYSA-N 444.778 4.942 30 10 IJEE CC(C)(CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)NC(=O)OC(C)(C)C 1475957356 HUYJSFHAKSNMJX-UHFFFAOYSA-N 439.516 4.560 30 10 IJEE CCN(CC)CCOc1ccc(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc1 1476626693 GCQWWBXRQGRRSD-UHFFFAOYSA-N 438.572 4.778 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(I)cc1F)c1ccc(Cl)cc1 1476849644 VQAOQUOGTPMFNN-CQSZACIVSA-N 428.632 4.580 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 1477620141 DODBGTXXXWDGEK-HNNXBMFYSA-N 427.430 4.665 30 10 IJEE C[C@H]1C[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1493309902 CAUHCTKJBWBPGO-AJYBTWMASA-N 441.551 4.501 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1507561834 DNZIUCIUCUFPBH-IAGOWNOFSA-N 443.389 4.612 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cc(C)no1 1507661047 LGPBKDDTMFNKBF-UHFFFAOYSA-N 435.940 4.621 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCc1nccs1 1507679099 GOVHRQWPUGXFDI-INIZCTEOSA-N 429.977 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN(C)[C@H](C)CC 1507764617 RWUAXSMSRATUSI-MPCDZSKCSA-N 439.673 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(OC)C1 1507807027 QAUITXWICNFJMO-QTZVNIFKSA-N 438.616 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCC(F)F 1507810687 LQHGRVSIWLFJPT-UTKZUKDTSA-N 436.572 4.951 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(Cl)s1 1507821124 UUBIYDQXUWGCLL-SFHVURJKSA-N 430.961 4.956 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)C(C)(C)C1)c1ccccc1 1507927635 AGLOJMZJGLSSPC-RBBKRZOGSA-N 435.616 4.633 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CC1(CCOC)CC1)C1CC1 1507990592 MIHPJNYONKDCAB-UHFFFAOYSA-N 449.368 4.818 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)(C)C 1519835675 AFDSOAPFTNBCNR-JTDSTZFVSA-N 429.659 4.925 30 10 IJEE C=CCC[C@@H](NC(=O)CN(CCc1ccccc1)C(C)=O)c1ccc(C(F)(F)F)cc1 1520114618 YJBXNBRJRPPYJI-JOCHJYFZSA-N 432.486 4.920 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(O[C@@H]2CCOC2)cc1 1520235857 CXLWSVVMBQJQBD-LJQANCHMSA-N 434.305 4.584 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc(COc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1520883631 UXBVKPHLHUILNN-SANMLTNESA-N 434.536 4.997 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)C(C)C 1521049933 FXOVVZMOICBFRC-KRWDZBQOSA-N 439.412 4.774 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1)c1nc(-c2ccccc2)cs1 1522119057 JTCWHRFRQNCRER-LJQANCHMSA-N 447.560 4.781 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc3nccc(C)c3c2)c(C(=O)OCC)c1C 1524508938 LTENASLPVSJRLB-UHFFFAOYSA-N 438.505 4.685 30 10 IJEE Cc1ccccc1-c1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1524975181 FXLMQROCWSFWCB-HNNXBMFYSA-N 436.924 4.635 30 10 IJEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1525937721 FJDIONRCQOUEKM-GHTZIAJQSA-N 434.536 4.720 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2Cc3cc(C)ccc3CC2(C)C)nnc1-c1ccco1 1526718659 SWUOBYOZVONJSQ-UHFFFAOYSA-N 436.581 4.878 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 1531923142 LRWMMZZYVWQVJY-UZLBHIALSA-N 433.390 4.552 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 1535722433 SYJMZAYWRWIWNV-OAQYLSRUSA-N 433.577 4.564 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1538975692 BZUXJSWHAVAKGE-JBIZMDSKSA-N 442.991 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1539030797 UCYDISRHJWDVDL-YUMYIRISSA-N 438.616 4.950 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1539148529 PUNZAQRRWSQDBZ-BBTUJRGHSA-N 430.980 4.592 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)[C@@H](C)CC 1539343649 OMDFVATUMJSNCE-AXHZCLLHSA-N 447.023 4.945 30 10 IJEE N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@H]3COC(=O)N3CCCCC3)c2)cc1 1539654268 FNTUEGWTLJGPGL-QFIPXVFZSA-N 447.535 4.968 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC1CCN(Cc2ccccc2)CC1 1539659830 NHIGZRHAADCKHM-UHFFFAOYSA-N 432.616 4.598 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](c2ccccc2)C1 1539759920 OHWXSGSQEQHGEH-DNVJHFABSA-N 438.616 4.783 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1539804932 BHUSQKFOTIAMME-HNNXBMFYSA-N 425.270 4.795 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCc2cc(C(F)(F)F)ccn2)CC1 1539846120 JTYJJJFRAPCZRM-UHFFFAOYSA-N 445.464 4.821 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CC2(COC)CCCCC2)CC1 1539894156 BAWPHBBVUKCESR-UHFFFAOYSA-N 438.616 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1539906173 LIDCLDYAMCTCAP-INIZCTEOSA-N 428.886 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCCC[C@H](SCC)C2)nnc1[C@@]1(OCC)CCOC1 1539932174 XPSVDFSPBFGEIU-WMZHIEFXSA-N 436.666 4.645 30 10 IJEE C=CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C)(COC)CC1 1539960982 LQUOLOCHFYYAQX-UHFFFAOYSA-N 434.588 4.740 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC1(OC)CCCCC1 1540182814 ZGCWIJPZJDXJQJ-UHFFFAOYSA-N 445.567 4.994 30 10 IJEE C=CCn1c(N2CCC(NC(=O)CCCCC)CC2)nnc1C1(c2ccccc2)CCC1 1540860653 FJHYMPWBBDOCAE-UHFFFAOYSA-N 435.616 4.599 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(OCC)CCCC2)C1 1540888164 LHKLPTWELHCLOR-GOSISDBHSA-N 430.980 4.729 30 10 IJEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@H]2CCOc3ccccc32)n1 1542582297 HFVAOYKPZKGDKR-NRFANRHFSA-N 444.583 4.981 30 10 IJEE CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc3nc(O)n(CC(F)(F)F)c3c2)cc1 1542968659 BQIAYKZTOVZKID-QGZVFWFLSA-N 430.430 4.596 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@](F)(C#N)C1)OC 1545282457 IABSMJWTKIKHNU-XAEMIUIASA-N 445.608 4.779 30 10 IJEE C=C(C)c1cccc(NC(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)c1 1558713717 ZUZCUWLJCIXDSX-HNNXBMFYSA-N 443.341 4.589 30 10 IJEE C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(-c4cnc[nH]4)cc3)o2)cc1 1559384402 IHQLAKKVPARCSR-OAHLLOKOSA-N 447.520 4.811 30 10 IJEE COC(=O)[C@@](C)(CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1ccccc1 1562432795 FTVUBSLVFWZLSG-VWLOTQADSA-N 447.466 4.742 30 10 IJEE N#Cc1cc(NC(=O)NCc2ccc(N3CCCNC3=O)cc2)ccc1Oc1ccccc1 1562673169 AGUMKAMSGTVBSF-UHFFFAOYSA-N 441.491 4.592 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccc2oc(=O)n(C)c2c1)c1ccc(C(F)(F)F)cc1 1564407077 VPOSKUKLQUAINX-KRWDZBQOSA-N 433.430 4.657 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1csc(-c2ccccc2)n1 1566380817 XNWKUWWWPJXRCI-QGZVFWFLSA-N 435.977 4.505 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(Br)nc(Br)c1)c1ccc(F)c(F)c1 1585439477 UQKPSWGJCIEYCS-OAHLLOKOSA-N 446.089 4.932 30 10 IJEE O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(OC(F)F)cc(OC(F)F)c1 1586473502 DUPZFBPFKLTTQU-UHFFFAOYSA-N 427.272 4.718 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@@H](F)c1ccc(Br)cc1 1588433838 UFSLNBKXJNMUET-LJQANCHMSA-N 433.369 4.944 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1589357553 CRAYBTBYAYYCRL-QZTJIDSGSA-N 449.393 4.502 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](COCC)C1 1593717624 ICFARAFQHMAGIR-MRXNPFEDSA-N 439.387 4.707 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C)COC)CC1 1594065130 ZJWIHUNSASEAEY-AWEZNQCLSA-N 439.785 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2nnc(C(C)(C)C)s2)CC1 1594077695 QOEBAHWHMUHCDO-UHFFFAOYSA-N 428.993 4.952 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1594497602 JYQNTOZFZNSICQ-DHIUTWEWSA-N 438.616 4.960 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cccs2)CC1 1594680922 WVGZFKWTLVOHPQ-SFHVURJKSA-N 441.576 4.912 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCOCC2(CC2)C1 1595844718 HQPBVDFQAWYTTB-QGZVFWFLSA-N 449.020 4.608 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)C1 1596614305 DSYBFXWRJOSIGI-JOCHJYFZSA-N 433.552 4.922 30 10 IJEE C#C[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(Br)cc1 1596978117 LIKVARHSUBAMOH-KRWDZBQOSA-N 448.242 4.758 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)CCCc2ccc3c(c2)OCCCO3)nc1 1597902476 AYGOTHOPMJFTMY-UHFFFAOYSA-N 427.504 4.671 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 1624379581 BHWLPVLCDQWKKI-HXUWFJFHSA-N 432.486 4.837 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)s1 1629777477 FCRXTZJBMGGBTK-UHFFFAOYSA-N 437.481 4.801 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CC)[C@@H](CC)Cc3ccc(C)cc3)ccc2c1=O 1629916971 JYKTVNBJGMFADP-FQEVSTJZSA-N 435.593 4.663 30 10 IJEE C=CC1(CC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CN(C(=O)OC(C)(C)C)C1 1630895635 GTEIZZJIKSNIMD-UHFFFAOYSA-N 446.975 4.575 30 10 IJEE C=CC[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(=O)OCC 1633797575 PTLLTCHFEFPIBW-OAQYLSRUSA-N 426.463 4.670 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CCOc2ccc(Br)cc21 1636314264 FDHCFFPJBGIWST-HQRMLTQVSA-N 431.374 4.886 30 10 IJEE C#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1c(F)cccc1Cl)CC2 1636838639 GSDHHLDEZHZTMI-KGAUPUERSA-N 434.898 4.628 30 10 IJEE C=CC[C@H](NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12)C(=O)OCC 1638326499 RVIJIMAYGKKQJE-INIZCTEOSA-N 441.578 4.697 30 10 IJEE CC1(C)OB(C2CCN(C(=O)c3ccc(Br)c(Cl)c3)CC2)OC1(C)C 1643830807 NPNJHKHGYWPSJL-UHFFFAOYSA-N 428.563 4.801 30 10 IJEE CCCOc1ccc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)c(OC2CCCC2)c1 1649146231 GEJCSZWLXLMHRL-UHFFFAOYSA-N 431.496 4.706 30 10 IJEE COc1ccc(-c2nc(SCc3coc(-c4ccccc4OC)n3)nc(O)c2C#N)cc1 1651650986 VKMQRCDUXUEMGT-UHFFFAOYSA-N 446.488 4.685 30 10 IJEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1 1653440332 FXPAVPQOILUZQJ-JOCHJYFZSA-N 426.563 4.820 30 10 IJEE C#CCC1(NCc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)CCC1 1657020438 OIEBWZFNUCORBO-UHFFFAOYSA-N 430.907 4.541 30 10 IJEE C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1660671855 BIMYKHFBSDIBEZ-GFCCVEGCSA-N 432.286 4.943 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1661123877 DSGJBKMCDHGHIP-FQEVSTJZSA-N 443.588 4.733 30 10 IJEE CN(C)[C@@H]1CCCN(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1662958722 GPVUWXCNWMGJGK-CQSZACIVSA-N 429.380 4.924 30 10 IJEE CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1672201573 BZCFOMZUPISCID-NHCUHLMSSA-N 445.677 4.718 30 10 IJEE C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 1673275703 FVKJCDMIZIGGAT-DZWOVHDNSA-N 434.540 4.929 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(Cc3ccc(Cl)cc3)Cc3cnn(C)c3)cc21 1673311855 LZUFZIMHWLFNKB-UHFFFAOYSA-N 434.931 4.844 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1678803100 HRYPOQQJGWASMJ-UKPHBRMFSA-N 430.902 4.767 30 10 IJEE C=C[C@H](COC)NC(=O)N(C)Cc1cc(F)ccc1Oc1ccc(Br)cc1 1681668169 XFZFVCOKGMNQCC-QGZVFWFLSA-N 437.309 4.723 30 10 IJEE C[C@H](CNC(=O)NC1CCN(c2ccccc2C#N)CC1)c1c(Cl)cccc1Cl 1683613158 GDILIFAXPLPGIW-OAHLLOKOSA-N 431.367 4.937 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1687206601 WEPQQYUIBFLXCZ-JTHBVZDNSA-N 443.385 4.635 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCN1CCC(C)CC1 1689840019 QWXYXDAEZAOPDF-GOSISDBHSA-N 431.987 4.708 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1CCCC[C@@H]1C 1689846436 JTAAHQDOICJLHZ-RTWAWAEBSA-N 432.616 4.549 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1690301869 ZXCLGXMXXFGYCL-NRFANRHFSA-N 437.588 4.758 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(COc2ccccc2)CC1 1690312978 IBFBKVJWSRWJNI-UHFFFAOYSA-N 426.605 4.755 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1690352653 KJSXPIKJMYFLNQ-HXUWFJFHSA-N 444.023 4.582 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(C(N)=O)CCCC2)CC1 1690404545 IIGBHAJAAJZSFH-UHFFFAOYSA-N 435.616 4.691 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC2(CC2)C1 1690420447 OEYYIOQJUMTWLL-GOSISDBHSA-N 428.552 4.776 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCSC1(C)C 1690449941 VHPGXMKFJKQHFL-KRWDZBQOSA-N 445.633 4.720 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1690465197 UYSIJXMDIDMHTJ-UHFFFAOYSA-N 425.621 4.948 30 10 IJEE C=CCCCCn1c(N2CCc3cc(Cl)ccc3C2)nnc1[C@]1(OCC)CCOC1 1690467711 GXXKOAYAJBMKMT-QHCPKHFHSA-N 430.980 4.503 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1690472728 USJJMKBQTSYQJH-UHFFFAOYSA-N 443.393 4.661 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)[C@@H]1C 1690497926 YOUYRCUSNAZNEH-ACRUOGEOSA-N 444.645 4.958 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1Cc1cccc(Br)n1)C1CC1 1690547132 WNHHYLAGTAXRNM-UHFFFAOYSA-N 438.373 4.538 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@H](C)C1 1690559361 DBVCGVHNSDSLCA-OFNKIYASSA-N 442.567 4.528 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1C[C@H]1CCO[C@@H]1C(C)C 1690569725 MBGRKLUIWZQUEM-NFBKMPQASA-N 435.547 4.733 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)C1CC1 1690581831 ZDHUSLKSQSCCST-NJDAHSKKSA-N 444.645 4.876 30 10 IJEE CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1C(C)C 1695464475 GSJQCRQWIYWBRQ-QFIPXVFZSA-N 430.556 4.674 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c[nH]c2cccc(C)c12 1705505396 KCJNUKYDIWVWLL-JXHRLWIKSA-N 433.600 4.687 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1705543854 VGTHBDRFJSVOSH-ZEQRLZLVSA-N 449.643 4.670 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H]1c1ccco1 1705682299 WMKQYJGLKKPQBT-KRWDZBQOSA-N 429.318 4.797 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OCC(F)(F)F 1705717110 CMOJWGJZOXMGGC-GOSISDBHSA-N 438.494 4.564 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ncc(Cl)n1C 1705801182 WPJSYVFKJQLXJZ-UHFFFAOYSA-N 449.386 4.987 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C1CCC(NC(C)=O)CC1 1705804118 PUINMTJSVAEDIM-UHFFFAOYSA-N 448.615 4.677 30 10 IJEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705820091 AWFNOENSGXUMHN-UHFFFAOYSA-N 428.943 4.666 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1705939300 CHTJBCFAOGLGDY-IXDOHACOSA-N 436.622 4.807 30 10 IJEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1705947662 UAKLJJOLNSRUMW-PZJWPPBQSA-N 426.630 4.813 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](COC)C1 1722308018 DKOJEAWWRRZUSW-WOJBJXKFSA-N 428.552 4.614 30 10 IJEE C#CCSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCCC2(CC2)C1 1722451725 GWYQLVANYKTZMY-UHFFFAOYSA-N 449.393 4.594 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 1722502413 IPECXPSWAWXWON-ROKPMTFOSA-N 442.579 4.850 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](Cc2ccccc2)C1 1722529207 WELBRLKQWCOSGO-HXUWFJFHSA-N 437.975 4.655 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC(C#N)CC1)c1ccccc1 1722596071 BPDSTQGVUQYZMB-OAQYLSRUSA-N 432.597 4.734 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](CC)C1 1722599300 GOTJKSHCNIPTQW-INIZCTEOSA-N 438.439 4.734 30 10 IJEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nc(C(F)(F)F)cs1 1722636926 MSRXAHGSHWYHKW-UHFFFAOYSA-N 432.475 4.583 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1)C1CC1 1722648145 KDYCYSYGPWGUFP-OALUTQOASA-N 425.596 4.996 30 10 IJEE C=CCn1c(C(C)C)nnc1N1C[C@@H](C)C[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c12 1722682955 UUJAEFHRENRIDD-ZSEKCTLFSA-N 433.915 4.684 30 10 IJEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC[C@H](SCC)C1 1722685660 JLZLCUPXVOWOGM-IBGZPJMESA-N 449.665 4.691 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](CC)C1 1722733267 YRIMEMWYZDSRRU-APWZRJJASA-N 436.622 4.808 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)Cc1ccccc1C2=O 1722739006 ROXRWUPIFHEVPI-UHFFFAOYSA-N 438.641 4.812 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](C#N)C1 1727699841 DLXOIRLWUJOXSK-GXRSIYKFSA-N 437.588 4.590 30 10 IJEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1740672868 XPJQVWUWHDZEKI-XUZZJYLKSA-N 449.624 4.570 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740714359 WEOPSYSUSSFIOW-CQSZACIVSA-N 428.911 4.744 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@H](F)C1 1740726483 BAKWVXZFINMZLK-UQASEVPWSA-N 431.353 4.838 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)C[C@H]1CC 1740766930 LNCYOKHLMFHBAO-QWIQJREVSA-N 428.552 4.602 30 10 IJEE C=CC1CCN(c2nnc(COCC)n2Cc2ccc(Oc3cccc(F)c3)nc2)CC1 1740841902 FGFFYUZYDUPREC-UHFFFAOYSA-N 437.519 4.592 30 10 IJEE C=CCCCCn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCCOC2)C1 1740866597 IVEFYLQERRFGMI-XMMPIXPASA-N 442.629 4.942 30 10 IJEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1740874998 NSTRJGYSPZTUKS-DLBZAZTESA-N 438.601 4.671 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 1740882409 KJMQEWVUQIMCTH-UHFFFAOYSA-N 446.039 4.749 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@@H](C)C1 1740939126 RWGLCTMYCSFIDS-OAQYLSRUSA-N 439.648 4.613 30 10 IJEE C#CCCCCn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCCOC1 1748729872 DNIQOYHQSSWNSC-DBXWQHBBSA-N 430.980 4.817 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1OCCC1(C)C 1748900818 MEWINRMIXMPJNE-XMMPIXPASA-N 448.611 4.567 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](C)SC 1748951667 YDLGUETVXVQVAF-AWEZNQCLSA-N 435.018 4.651 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[C@H]2C)CC1 1749331307 XISAOUDXIIZFEL-MJGOQNOKSA-N 440.588 4.810 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CCc2ccc(OCCN(C)C)cc2)CC1 1749341300 DLDWGZARFOEFCH-UHFFFAOYSA-N 437.632 4.521 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CCCO1 1749553721 UNIFWBFSGJFCME-HSZRJFAPSA-N 442.560 4.819 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1Cc1cccc(Cl)c1C 1749590483 YIQWXRVIIKIKQA-OAQYLSRUSA-N 426.948 4.968 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)c1nc(C)cs1 1749594931 UNRQQQXHYQZXNL-OAHLLOKOSA-N 431.993 4.806 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(C(C)(C)C)CC1 1749606219 QTTMSXYKFUFKOG-GOSISDBHSA-N 432.012 4.795 30 10 IJEE C=CCSCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@H](OC)C1 1749746438 DVHAGHOQVYGYKT-SFHVURJKSA-N 444.601 4.957 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(C)(C)C)C1 1760163077 YACWBLAXFHXKPA-UXHICEINSA-N 443.636 4.678 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1760166079 PKGZIGAFHDJGST-NQIIRXRSSA-N 440.016 4.813 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1760207735 UVVPBXQKMADTIZ-RTBURBONSA-N 430.474 4.532 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1Cc1c(C)sc(C)c1Br 1760240007 DTDFBQNTCWMQPN-UHFFFAOYSA-N 447.377 4.855 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]2CCC[C@H]21 1760445275 FJUNIGXCIOFGAF-IFMALSPDSA-N 437.588 4.509 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1760451131 AFNSJCZGIFPMLD-QFIPXVFZSA-N 426.605 4.554 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)c1nc(C)cs1 1760468227 MPOUKNRIAITYFC-OAHLLOKOSA-N 429.615 4.770 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1Cc1ccc(COC)cc1 1760486110 CYOFLIHIRXCCCP-UHFFFAOYSA-N 431.565 4.789 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@](C)(CC)O1 1760487578 YOZGZQNRGWIQKU-MSYCTHLASA-N 430.618 4.774 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC(C)(F)F 1761357568 FQXKJGCACMOYPH-NSHDSACASA-N 430.272 4.630 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@H]1CCCCO1 1761359783 AAGXYDYFTNDYIT-AZUAARDMSA-N 434.544 4.688 30 10 IJEE CCCN(CC)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1764302695 IFQXBLYENIJCFM-AREMUKBSSA-N 445.615 4.664 30 10 IJEE CN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1768695890 DGCNFEZCPHSXHF-UHFFFAOYSA-N 449.609 4.712 30 10 IJEE Cc1c(N=Nc2ccc([N+](=O)[O-])cc2Cl)c(O)n(CCc2ccccc2)c(=O)c1C#N 1772741315 FRNWPGHRAALMSK-UHFFFAOYSA-N 437.843 4.954 30 10 IJEE Cc1cccc(C[C@@H]2SC(=NN=Cc3ccccc3OCc3ccccc3)NC2=O)c1 1772741961 PMDICVBNRIVVNA-QHCPKHFHSA-N 429.545 4.738 30 10 IJEE COc1ccc(C=NN=C2S/C(=C\c3ccccc3OC)C(=O)N2Cc2ccco2)cc1 1772757150 ANYXNCIZDGYOGM-KGXKECERSA-N 447.516 4.803 30 10 IJEE C=CCN(C(=O)Cc1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 1860027988 XXCKSHGQMDWHGV-UHFFFAOYSA-N 427.386 4.671 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OC)c(OC)c1 1861088819 CHZYISGVQZGZHA-QFIPXVFZSA-N 446.632 4.884 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccc(Cl)cc1 1861133200 LCAIIUPZAMAPQY-HSZRJFAPSA-N 445.003 4.792 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 1862391161 ULSMHBMUXGJHAG-JTHBVZDNSA-N 437.511 4.926 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccc(Cl)c2)cc1 1862391804 IRTCIDKEPGUQCO-VFNWGFHPSA-N 427.928 4.642 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(C)cc1 1862429273 JKYYCMGDAHOZNA-QFIPXVFZSA-N 440.971 4.959 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC(C)C)cc1 1862470848 XIFUAJFSWUVVIH-IBGZPJMESA-N 444.325 4.692 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)[C@@H]2c2ccccc2)cc1 1862475837 VSEBDQRGGKHTSU-PWZCGNOASA-N 443.543 4.657 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2c(F)cccc2Cl)c1 1862494093 FMVHDLBPXIDXET-QVKFZJNVSA-N 443.902 4.853 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cc(Cl)cc(Cl)c1 1862498408 HRUPNQWDYYBDNQ-IBGZPJMESA-N 434.319 4.835 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C(C)C)c1 1862525397 BDZKENWJKLBVAK-LJQANCHMSA-N 444.325 4.835 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc(OCC)c1 1862526530 VHWSBXJTHIBKBV-IBGZPJMESA-N 444.325 4.836 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1CCCCN(C)C 1862545138 TUFBXLJAYSLOTK-RUZDIDTESA-N 446.591 4.794 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cccc2ccccc12)c1ccc2c(c1)CCCC2 1862548894 BUBAXZLVECFCOY-RUZDIDTESA-N 441.527 4.679 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc(C(C)C)cc2)=C(O)C(=O)N1CCc1cnc[nH]1 1862662395 JHSODJGBJWRQBJ-QHCPKHFHSA-N 429.520 4.663 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(C)cc2)c1 1862698156 BFSZLDDEGFEMBQ-JOCHJYFZSA-N 433.529 4.886 30 10 IJEE CC(C)Oc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1 1862764614 WSHBTQRDSBXOOI-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCOc1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862834522 SBWYKPSZNWXQHR-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE N#Cc1ccccc1NC1=C(c2cc(Cl)ccc2Cl)C(=O)N(Cc2ccccn2)C1=O 1863392294 YATBLMVLHOOTLT-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2ccc(C)cc2)C1=O 1863619593 DFLURHNERFOCPL-JOCHJYFZSA-N 426.601 4.984 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1ccccc1F 1864064377 PFSAMEKBWOFCFX-OAQYLSRUSA-N 442.579 4.819 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CCC)nn2CC)[C@@H]1c1ccc(C(C)C)cc1 1865153130 RECLPFYZAJAVNK-QFIPXVFZSA-N 448.611 4.874 30 10 IJEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 1870110108 ACDKUJIVCVBZIC-LLVKDONJSA-N 434.714 4.900 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN(CCC)CCC 1870512267 UMGKOKVOCJTMDM-UHFFFAOYSA-N 435.653 4.734 30 10 IJEE C=CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Oc3ccccc3)cc2)cc1=O 1870810423 BWQFQNVTSHXLKG-DEOSSOPVSA-N 432.520 4.997 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CNc1ccccc1C 1871098759 AUWNYICRNVGNJP-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE CCCCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1cc(OC)ccc1OC)C2=O 1871395695 CGLOOPGDCBWBEE-HMAPJEAMSA-N 425.525 4.956 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3O/C(=C\c3ccccc3C)C4=O)CC2)c1 1871397745 MCSOIIGXDMCTTQ-ONUIUJJFSA-N 440.543 4.947 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 1871435220 ZKUFKMNUGLGIFX-IAFWPLRWSA-N 438.476 4.508 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCC 1871946192 UYOIMYNFHZMHSX-GOSISDBHSA-N 435.417 4.965 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1)S(=O)(=O)CCCC 1871993533 COXIGLCFUZMZPE-QHCPKHFHSA-N 428.598 4.991 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872227149 HVAQFOCKJQDWHI-LBPRGKRZSA-N 447.771 4.851 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872569823 XDTVFMGYYLNLEK-QFIPXVFZSA-N 444.597 4.605 30 10 IJEE CCCCCCCCCCNC1=C(c2cccc(OC)c2)C(=O)N(CCCOCC)C1=O 1873043822 LQFRBUMNKRTOPC-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE N#Cc1cnn(-c2cc(F)cc(F)c2)c1NC(=O)c1ccccc1C(=O)c1ccccc1 1873684468 FRFOXLRMIGDRDE-UHFFFAOYSA-N 428.398 4.505 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874264602 GSLRUMFMJHPIIH-CIAFOILYSA-N 429.889 4.579 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2cccn2C)c1 1874310725 KUMSYVOHYRRKTC-LGUFXXKBSA-N 445.592 4.627 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccc(Cl)c(Cl)c1 1874431247 OLAGLWMWEJGNIM-YSURURNPSA-N 448.379 4.704 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1cccc(Cl)c1)Nc1nccs1 1874455288 KIKMTXWEDLSIJC-SSDVNMTOSA-N 446.989 4.659 30 10 IJEE O=C(O)c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1C(F)(F)F 1874462879 JDSOPNUQQDKDFO-NUGSKGIGSA-N 440.834 4.823 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2cccs2)o1 1874466688 WDTZQYDRVQZSES-RGVLZGJSSA-N 428.495 4.544 30 10 IJEE CCCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874475772 QZORFOVDKXPTMT-ZVHZXABRSA-N 440.569 4.826 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)o2)n1/N=C/c1ccc(Cl)cc1 1874476773 XBJCJIFQXFCFID-WSDLNYQXSA-N 432.933 4.828 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2C2CCC2)cc(OC)c1OC 1874495315 FNXOVFMNGJYSIQ-ZVHZXABRSA-N 438.553 4.746 30 10 IJEE COc1cc(/C=N/n2c(SCCc3ccccc3)nnc2C(C)C)cc(OC)c1OC 1874514426 XRCWXFWKRFUBPE-BUVRLJJBSA-N 440.569 4.644 30 10 IJEE CN(CC1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1)c1ncccc1C#N 1891394527 VHNLRFIFKWWBEZ-UHFFFAOYSA-N 438.531 4.566 30 10 IJEE CCCCc1ccc(NC(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)cc1 1891475842 DIDSMXZJLOBMSL-ZEQRLZLVSA-N 435.593 4.933 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CC[C@@]1(NC(=O)OC(C)(C)C)CCOC1)NCCC 1922094950 PQOMGCFLELSEQR-RCZVLFRGSA-N 432.605 4.592 30 10 IJEE CCCCCC#CC[C@@H](O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2024350749 YARCCTJJIPRLCZ-HSZRJFAPSA-N 428.617 4.881 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCC2)C1 2037914167 IZLBAEFGNGCQJQ-SANMLTNESA-N 440.632 4.656 30 10 IJEE CCN(CC)c1ccc(C=C2CCC(C=NCc3ccncc3)=C2N2CCOCC2)cc1 2040465763 HVMKTNUVAYZHMS-UHFFFAOYSA-N 430.596 4.962 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CNc1cc(Br)c(C#N)cc1F)C(F)(F)F 2105977342 AKHLZMIVJNECSA-JTQLQIEISA-N 440.235 4.575 30 10 IJEE C=CC[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2121944675 NIZDAMXDHCOREO-LBPRGKRZSA-N 434.115 4.625 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)nc(C2CC2)n1 2137396823 KOCRTRVIBIPYEB-LJQANCHMSA-N 426.355 4.602 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 2180917253 OMCSEERCRUWUSQ-UHFFFAOYSA-N 435.362 4.911 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)c(Br)c2)C1 2181148713 ZULRZWSEKBPQBO-DZGCQCFKSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CNc1cc(Br)cc(F)c1C#N)C2 2182504627 JTQOAJCQXNCOMP-LXIYXOSZSA-N 438.341 4.907 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 2211274356 NSTCFTNIBUFCFW-NJSLBKSFSA-N 435.487 4.714 30 10 IJEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2220069453 YUVOGVWIFZXNNQ-NRFANRHFSA-N 440.462 4.532 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2235746486 JPZIVIQRZMBLEH-UYAOXDASSA-N 435.406 4.816 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2247778718 GYJQPOUSPRHHNB-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266995974 FCEMSFXZEKJEDL-GOSISDBHSA-N 448.397 4.846 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267816651 OXERWHNRWSFRSW-UHFFFAOYSA-N 439.365 4.967 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1cc(CNC(=O)OC(C)(C)C)cs1 2278796939 QMJIHYFJXGEQOC-KRWDZBQOSA-N 435.387 4.848 30 10 IJEE CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(N)C#Cc1cccc(Br)c1 2296273839 QYARCYLQBAAVQZ-GCJKJVERSA-N 435.406 4.801 30 10 IJEE COc1ccc(C=CC(=O)c2nc3ccccc3n2CC(=O)c2ccc(OC)cc2)cc1 2297454663 BAZVPXYHLGUJIY-UHFFFAOYSA-N 426.472 4.833 30 10 IJEE COc1c2c(c(OC)c3occc13)O[C@@](O)(C(F)(F)F)C(=CNc1ccc(C)cc1)C2=O 2297472543 AWEHTLPFWQAHGI-OAQYLSRUSA-N 449.381 4.580 30 10 IJEE CCCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 2321103662 UYAVQLKKUYIWRQ-UHFFFAOYSA-N 441.532 4.518 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(S)n1N=Cc1cccc(Oc2ccccc2)c1 2322095786 XXGBGYIOOLAYPD-UHFFFAOYSA-N 431.477 4.740 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(C)cc2)cc1OCC 2322166866 ICIMGULWAUBXSH-UHFFFAOYSA-N 440.569 4.566 30 10 IJEE Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c1OC(=Cc1cccnc1)C2=O 2323232227 QYYMOQDKQSEHPL-UHFFFAOYSA-N 436.807 4.787 30 10 IJEE CCCN(CCC)C(=O)COc1ccc(C=CC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 2324244759 JXZORVUORTVHDI-UHFFFAOYSA-N 446.450 4.797 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(OCC)c(OCC)c2)cc1OC 2325649395 AUIDRWVIVFHMPG-UHFFFAOYSA-N 427.497 4.502 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2c(ccc(OCCCN(C)C)c2C)C1=O 2325702506 AWRRSLYDOSWDGZ-UHFFFAOYSA-N 446.341 4.713 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1N=Cc1c(F)cccc1Cl 2328297505 UQNSMKHWSAHCSX-UHFFFAOYSA-N 432.908 4.819 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 2330645695 NCRHAKYXJHLPEN-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE COc1cc(C=Nn2c(SCc3ccccc3)nnc2-c2ccccc2)cc(OC)c1O 2330670813 MHOWDQPKTDAIIO-UHFFFAOYSA-N 446.532 4.842 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1cccc(C)c1 2331432138 UBDQFAQSLIYSCR-UHFFFAOYSA-N 435.597 4.960 30 10 IJEE O=C(Oc1ccc(C=CC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-])c1cnccn1 2331474830 MWTRNAFCWZXTHS-UHFFFAOYSA-N 425.400 4.653 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2ccc(F)cc2F)cc1 2331729024 GMFZUVVKOJCFNB-UHFFFAOYSA-N 441.507 4.609 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C)c(OC)cc2C)ccc1OC(=O)c1cnc(C)cn1 2331852601 QREBBAQQYFFFQA-UHFFFAOYSA-N 446.503 4.924 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2NCc2cc(F)ccc2Br)OC1(C)C 2364919558 ZPPQZBMLQSBSFA-UHFFFAOYSA-N 441.537 4.548 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(OC)cc3)n2)cc1 58995989 IZWMNIRQKQKBFK-LJGKHRNASA-N 438.557 4.504 30 10 IJEE O=C1C[C@H](S/C(=N/c2ccccc2)NCc2ccccc2)C(=O)N1c1ccc(F)cc1 59446239 PMPQMXBESWZEJL-NRFANRHFSA-N 433.508 4.668 30 10 IJEE Cc1cc(Br)ccc1/N=C/c1cc(Br)c(N2CCOCC2)o1 59679721 QRYGHUZRCWNHIS-VXLYETTFSA-N 428.124 4.700 30 10 IJEE COc1cccc(-c2csc(N/N=C\c3ccc(OC)c(O)c3Br)n2)c1 169942119 YMSJYVBVIJJLDB-UKWGHVSLSA-N 434.315 4.741 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1c[nH]c2ccccc12 169964342 WPASXALCCIKEMX-QHCPKHFHSA-N 442.446 4.791 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccn2)cc1 169991031 RRKBATCLVBEPCQ-QHCPKHFHSA-N 439.471 4.677 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccnc2)c1 170011595 IXTYAAJWNWBWEI-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2C)cc1 170088689 NXAGQMZZIIYNQV-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)=C(O)C(=O)N1C1CCCCC1 170123913 LIRYGWMMFCJGGS-FYSMJZIKSA-N 447.531 4.930 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OCC)ccc2Cl)[C@@H]1c1ccc(O)cc1 170136702 JYIPWWPDBZCZTM-FQEVSTJZSA-N 429.900 4.823 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(C)c2)cc1 170143441 KWKURTXGQKWPFD-FYYLOGMGSA-N 435.520 4.541 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccn1 170181098 HNHAJQDAXUORHB-GOSISDBHSA-N 429.314 4.613 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(C)cc4)[C@@H]3c3cccnc3)oc12 170189424 OWLNHTRMTMZORA-JOCHJYFZSA-N 440.455 4.928 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1c[nH]c2ccccc12 170255667 SRXCZACVHYHEGF-LJQANCHMSA-N 439.309 4.919 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2CCOC)cc1 170264961 BIAQGCOYPQTLEA-NRFANRHFSA-N 439.895 4.873 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cn(C)c2ccccc12 170269198 VLMUADWMCNKPJI-QHCPKHFHSA-N 448.519 4.574 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@@H]2c2ccco2)cc1C 170290572 IXZCKJDZCPOGGW-HXUWFJFHSA-N 425.387 4.658 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2c[nH]c3ccccc23)cc1 170384152 QUENSSMFZNDYCB-HSZRJFAPSA-N 439.471 4.745 30 10 IJEE CC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccco3)cc2)CC1 170400304 PFDTUDNKVFNTAY-JOCHJYFZSA-N 432.476 4.892 30 10 IJEE COc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 170428590 OTDPEQHZWKCGPW-GOSISDBHSA-N 440.496 4.959 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)c3cnc(-c4ccc(F)c(F)c4)s3)CC2)c1 503064499 IKMQBTLZXCDBBC-UHFFFAOYSA-N 425.460 4.644 30 10 IJEE C=CCCc1ccccc1NC(=O)c1c[nH]c2ccc(I)cc2c1=O 504284819 URWWUWPOWNHHCJ-UHFFFAOYSA-N 444.272 4.504 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2cccc(OC)c2)CC1 508462977 BSIIPGOYQWXPOU-UHFFFAOYSA-N 434.540 4.541 30 10 IJEE C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](c2cccs2)C1 508937918 DVCOZBGGXRGVLI-MRXNPFEDSA-N 431.359 4.533 30 10 IJEE Cc1nc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1-c1ccccc1 582151488 BEBVXPVHALXNKL-UHFFFAOYSA-N 427.508 4.835 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)NCCc3ccccc3)CC2)c1 585910292 FPFLAEUQSKVATA-UHFFFAOYSA-N 448.611 4.671 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669817602 WWINXWBCDRFAKI-LJQANCHMSA-N 441.377 4.548 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(F)cc(Br)c1 698401885 WZCCUBQVEAALJX-KRWDZBQOSA-N 428.346 4.732 30 10 IJEE C=CCCC(C)(C)NS(=O)(=O)c1cc(Br)c(C)cc1Br 717672129 AQWOMFVNBHMSCF-UHFFFAOYSA-N 425.186 4.543 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2c(F)cccc21)[C@@H]1CCOc2ccc(Br)cc21 733344067 SRWNBQZOCHSVIV-WOJBJXKFSA-N 443.316 4.744 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)CN[C@H](c3ccccc3)C(F)(F)F)c2)s1 746288820 AXWCJMGTBMJTDI-OAQYLSRUSA-N 429.467 4.796 30 10 IJEE CC(=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1nc(C(F)(F)F)cs1 767379401 WWBZIMRXNYNPNH-UHFFFAOYSA-N 440.472 4.799 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)Cc1c(C)nn(C)c1C 800773864 MLJRTAHQUXUBAP-UHFFFAOYSA-N 449.784 4.534 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)[C@H](C#N)c1cnc3ccccc3n1)C2 802812528 CUWMQUDCAIAEFK-JTJPCEKRSA-N 434.540 4.526 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 806291905 ZFPJRFYMJPGFDE-OAQYLSRUSA-N 448.544 4.639 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2c(C)cc(C)cc2C)c(C(=O)OCC)c1C 1124757046 NNTBYDMJXOIBQX-UHFFFAOYSA-N 429.538 4.682 30 10 IJEE C=CC[C@@]1(C(=O)N2CCN(CCC)c3cc(F)ccc32)CCCN1C(=O)OC(C)(C)C 1127960106 IENZRQVAQYDQAA-DEOSSOPVSA-N 431.552 4.735 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 1198474221 GLSWOOHMLOUHML-DEOSSOPVSA-N 440.503 4.775 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)OC)cc1 1214912078 LTJQRPGIWMIEAE-JOCHJYFZSA-N 449.551 4.563 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1220729397 RGORKNXXKHWCFC-SANMLTNESA-N 446.522 4.972 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)cc1 1273111548 UCVJFFBAXYVDCW-UHFFFAOYSA-N 444.556 4.668 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOC2(CCCCC2)C1 1286315440 LYKILXAEPQZOCS-UHFFFAOYSA-N 444.526 4.890 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCSC1 1286527605 NPXOQBAMGGLUMB-HTAPYJJXSA-N 431.005 4.646 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(N(CC)CC)CC1 1286585103 ARAVWJCNTMGHKP-GOSISDBHSA-N 432.012 4.958 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1286595553 BQDCDQZFSQEJCV-HXUWFJFHSA-N 437.613 4.933 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1286611955 SGZABXXHFRZZMU-OYDLWJJNSA-N 438.616 4.680 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CSCCS2)CC1 1286664669 ANOZPSAPWRVQID-OAQYLSRUSA-N 428.671 4.704 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccoc1)c1ccccc1 1286680793 FIJDZWNRLFXICJ-QHCPKHFHSA-N 430.556 4.729 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CCN1CCC(C)CC1 1286748576 WYMXFWVTVLYZTM-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCCCCC1 1286748879 DZFJKDIERVOIOI-LJQANCHMSA-N 430.618 4.512 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 1287277037 ICPOKZGDANZFMG-AABGKKOBSA-N 447.505 4.972 30 10 IJEE C=CC1(CC(=O)NCCc2ccc(-c3csc(C)n3)cc2)CN(C(=O)OC(C)(C)C)C1 1290356184 HIEJNOXLJSXHBL-UHFFFAOYSA-N 441.597 4.590 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 1298585910 PUAKTEKAKYOBAP-FQEVSTJZSA-N 429.358 4.997 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1299260758 VCJPYIODIOPZEB-QFIPXVFZSA-N 438.524 4.544 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1300285983 CQRSZYAHNXNZCY-XJABCFGWSA-N 435.959 4.619 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1=CCCCC1 1300303318 JIEFNCBMVWPVGS-PZJWPPBQSA-N 441.620 4.741 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1300384085 KYRXNJHQVJLEHU-CEXWTWQISA-N 428.602 4.560 30 10 IJEE C#CCCCn1c(-c2ccccn2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1300400509 HIXPBFHXQARMQV-UHFFFAOYSA-N 444.514 4.617 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCOC[C@@H]1C 1300569172 DUXQLDKQWUVGGV-LADGPHEKSA-N 448.611 4.506 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCOC[C@@H]1OC 1300904719 FHOPBZCOIXDSRF-NSHGMRRFSA-N 444.645 4.585 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1301158964 RBUKSTSYZKWZJB-XRXFAXGQSA-N 430.637 4.947 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1301159062 UJHIJJDNOCDBRR-LZJOCLMNSA-N 444.542 4.556 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](COCC)C1 1301211270 DZWFYRTXDKHHDV-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(c2ccccc2OC)C1 1301375445 NNERNBXEOWOLPO-FQEVSTJZSA-N 433.556 4.560 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCOc2ccccc21 1301397365 SIHSWEWSEAKOOZ-KJXAQDMKSA-N 436.600 4.941 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1302118250 ARFQSFPNQVYRCK-NFBKMPQASA-N 439.579 4.589 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCS2)cc1 1303094095 CZLBWHXIGPUUIS-NFBKMPQASA-N 443.592 4.708 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)c1ccccc1 1304747022 QPJDQJQIXQLKAX-MMEWPQADSA-N 435.571 4.582 30 10 IJEE C=CC[C@@H](CC)NC(=O)Nc1cc(Br)cc(I)c1C 1311065062 WBCJRBVFDPMFNX-LLVKDONJSA-N 437.119 4.838 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](CC)Oc1cccc(C(F)(F)F)c1 1312204796 LMSKNGQIIBYYIX-KRWDZBQOSA-N 440.462 4.736 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1ccc(Br)cc1 1312936801 LLMACMITLRPPLQ-PKOBYXMFSA-N 433.371 4.576 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(OC)c(OCc3ccc4ccccc4n3)c2)C1 1320353520 SVKHSMWOANWKJS-OAQYLSRUSA-N 433.508 4.631 30 10 IJEE C=CC[C@@]1(c2nnc(-c3ccc(CN(CC)CC)o3)o2)CCCN1C(=O)OC(C)(C)C 1323078351 YQDQYCRZEJOZAG-QHCPKHFHSA-N 430.549 4.974 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)Cc2ccc(CC(C)C)cc2)c(C(=O)OCC)c1C 1352793316 NJLAWNRJJKXEIS-UHFFFAOYSA-N 443.565 4.956 30 10 IJEE CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F 1358354895 GSKOZQGBCVEJNK-IBGZPJMESA-N 447.457 4.801 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1358934045 NRINWIMUKMBZSP-AREMUKBSSA-N 436.600 4.575 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCSC(CC)(CC)C1 1359082378 HCIZDPQTTMDDKG-UHFFFAOYSA-N 436.423 4.669 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H]1CCO[C@@H](C)C1 1359109634 JCQSXXAXCAEZNE-OALUTQOASA-N 428.577 4.570 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1359124349 YDYSUDSTNIKRQR-NRFANRHFSA-N 426.605 4.982 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC2(CCC2)C[C@@H]1CC 1359136130 AHUJMYXWTYOAJD-IBGZPJMESA-N 428.552 4.748 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(COC)CCOCC2)CC1 1359161975 XWGZWJXUYPDGGA-UHFFFAOYSA-N 438.616 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccsc2)CC1 1359185361 UETSVPJTIQWQQI-UHFFFAOYSA-N 425.602 4.833 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(CCC)C(=O)C1 1359185851 LTANZRJDDDAPEX-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1C(C)(C)C)c1ccccc1 1359195078 GKYFWJKZMMPFSR-GOSISDBHSA-N 436.522 4.829 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359198947 GLKXIOKQJZSMRY-ICSRJNTNSA-N 432.515 4.908 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CCN1CCC[C@@H]1C 1359261914 ZVUQWXZMSLWROM-IBGZPJMESA-N 439.604 4.746 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1359310125 NCMJRCUTVCSSAH-YADHBBJMSA-N 438.616 4.733 30 10 IJEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1359342815 FWINXOCSNJUKHU-WFXMLNOXSA-N 428.602 4.725 30 10 IJEE C=CCCC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 1361053116 ZZKSFRXRYBJOBH-LJQANCHMSA-N 429.358 4.952 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 1435815922 HKLLJHWHOCOLIE-UHFFFAOYSA-N 425.414 4.527 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 1435989188 GFGUZIPAUOHUER-OAQYLSRUSA-N 432.486 4.911 30 10 IJEE C#CCCOc1ccc(C(=O)NCC[C@H]2CCc3ccccc3N2C(=O)OC(C)(C)C)cc1 1452901433 SOXWMVWRHBUMSJ-JOCHJYFZSA-N 448.563 4.965 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)cc21 1456533138 KHLGXLCGNUZLRI-JOCHJYFZSA-N 432.524 4.523 30 10 IJEE C=CCOc1ccc(COC(=O)c2ccc(Cn3cc(Br)cn3)s2)cc1 1458800672 KDRCVFVIBMDDQS-UHFFFAOYSA-N 433.327 4.677 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 1464093713 GVEHKQJZVVLQPD-HDICACEKSA-N 436.512 4.768 30 10 IJEE O=C(NCc1ccnc(C(F)(F)F)c1)Nc1ccc(F)cc1OCCC(F)(F)F 1466308384 GUFILXTZWLAJGB-UHFFFAOYSA-N 425.304 4.892 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1cc(C(F)(F)F)ccc1Br 1468484431 VQTZBAGZHCDVLQ-MRXNPFEDSA-N 432.280 4.927 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 1468643920 HBGPCNUKRUENBI-LJQANCHMSA-N 432.524 4.555 30 10 IJEE C=CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)[C@H](C)COC 1478373188 PYKDWFDNLIZERU-XMSQKQJNSA-N 441.572 4.638 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(COC)cs1 1478986055 CSUZTJRVNLDVMF-UHFFFAOYSA-N 427.339 4.694 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1(CCOCC)CC1 1507518753 CHTHBZZELWJIPP-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)OC(C)(C)C1 1507826790 CKPUMZXERGTDNK-ZDUSSCGKSA-N 439.785 4.941 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCc2ccccn2)CC1 1507881032 PFPGLDWXJPJIHR-UHFFFAOYSA-N 438.373 4.810 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1507927700 BLUVEHMKQVNBHA-JOCHJYFZSA-N 433.625 4.956 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](COC(C)C)C1 1507942662 SIHPTRVICKDSGM-HXUWFJFHSA-N 444.645 4.872 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C2CC2)c1 1507987339 YYBWQCUXIVSEIB-OYRHEFFESA-N 437.588 4.597 30 10 IJEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508050916 CZNMSKSEVXYCOX-NHCUHLMSSA-N 439.604 4.842 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)OC1CCCC1 1508106376 SXVFSXUSZQYUGD-UHFFFAOYSA-N 439.947 4.917 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1508153434 ZPNUJYSGAKNNOU-SFHVURJKSA-N 438.544 4.500 30 10 IJEE C=CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2oncc2C1 1508168965 VHSAOOHJYNBJLH-UHFFFAOYSA-N 448.017 4.694 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CCC(C)CC1 1517925953 BOKRRMVWINOUPR-UHFFFAOYSA-N 432.572 4.542 30 10 IJEE CCN1C(=O)C[C@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@@H]1c1cccc(C)c1 1522777306 ALFMCOFWACMNBB-DHLKQENFSA-N 443.572 4.821 30 10 IJEE C=CCCOCC(=O)Nc1sc2c(c1C(=O)c1cccc(OC)c1OC)CC[C@H](C)C2 1523164685 CBDBYXSOTSDYHE-HNNXBMFYSA-N 443.565 4.652 30 10 IJEE C=CCc1cc(OC)ccc1OC(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC 1530819101 HMPVXQBICNRXOL-MRXNPFEDSA-N 434.579 4.694 30 10 IJEE C=CC1(CC(=O)N(CCOC)C2CCN(C(=O)OCc3ccccc3)CC2)CCCCC1 1531187737 DTCONOUBSDGQNP-UHFFFAOYSA-N 442.600 4.789 30 10 IJEE C=CC[C@@]1(C(=O)N2CC[C@@H](CSc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1533404025 ABNLXJCXDRNGLY-DVECYGJZSA-N 430.614 4.973 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)c1cc(-c2ccc([C@@H](C)CC)cc2)nc2ccccc12 1534591972 OHGVXWKQYORZKQ-SFHVURJKSA-N 436.577 4.746 30 10 IJEE C=CCc1cc(C(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)cc(OC)c1OC 1537090075 PGGQZXQOATVUDG-UHFFFAOYSA-N 446.588 4.732 30 10 IJEE CCc1ccccc1O[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 1537881377 DWRGFZJZWRJZJQ-AHKZPQOWSA-N 439.559 4.606 30 10 IJEE C#CCN(C(=O)[C@@H](C)OCc1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1538199508 UKTZBCRYFKKWDI-DYESRHJHSA-N 442.353 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(F)(F)Br 1538971346 GVYHBLCBJLEXGR-NEPJUHHUSA-N 447.711 4.517 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(CCOC)CCCC1 1538975359 ZSQLCMNKEBHFCS-RTBURBONSA-N 428.552 4.612 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1539068597 XWJGFBOSKVYFFP-QHCPKHFHSA-N 442.611 4.553 30 10 IJEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1539125201 XCVLUTCQCDQCIP-KKSFZXQISA-N 442.535 4.588 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(I)cc(Br)c1C 1539486178 ZNALPJVCKGXOEJ-UHFFFAOYSA-N 436.131 4.790 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCN(CC)C1 1539546899 OTJOZDADAIIPDO-KSFYIVLOSA-N 432.399 4.586 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@@H](c1ccccc1)N(CC)CC 1539556241 NKDOPDIZQVGEFX-PPJWLVRDSA-N 435.616 4.595 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCc2cccnc2)CC1 1539840226 ONRLGXBFKQVGEO-UHFFFAOYSA-N 433.556 4.535 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1539891658 IKKRYNUMVVSIPG-URXFXBBRSA-N 426.580 4.862 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1Cc1nccn1C(F)F 1540180687 SJXZQOVDANGFPB-UHFFFAOYSA-N 426.515 4.811 30 10 IJEE C=CC[C@@H](C(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 1556376738 CKXABOVRKIGCPV-HXUWFJFHSA-N 431.458 4.741 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 1556995026 WCCLULPDHVSIMR-HSZRJFAPSA-N 434.580 4.826 30 10 IJEE C=CCC[C@@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 1559687809 XYQBPJLCPFCDJV-HXUWFJFHSA-N 441.538 4.855 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)cc1F 1561556158 KVWWELFXQSYAEA-CQSZACIVSA-N 437.117 4.548 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1CC(OCc2ccccc2)C1 1562929153 IZFPMYCMXAATPQ-UHFFFAOYSA-N 431.330 4.883 30 10 IJEE C=CCOc1ccc(CNC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1 1564524973 VXVMWMJYYXKTES-FQEVSTJZSA-N 433.577 4.980 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2(CCc3ccccc3)CC2)nc1C 1565624847 JIYCVIUSDJCYLP-UHFFFAOYSA-N 425.583 4.536 30 10 IJEE C[C@H](CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)C1CCCCC1 1585534079 ICKFVXKMBQVZFI-UTKZUKDTSA-N 432.406 4.764 30 10 IJEE C=CCOc1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 1587058150 XSNLYAPIXJZYHP-UHFFFAOYSA-N 435.907 4.831 30 10 IJEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(F)(F)F)CC1 1587738376 CSTOQQPDQZFHBW-UHFFFAOYSA-N 448.489 4.689 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(OCC)CCCC1 1588266916 XLDDRNICMVWAOM-SFHVURJKSA-N 430.980 4.880 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1588297953 NUBASSADSFHRSV-PMACEKPBSA-N 428.024 4.816 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(c2nccs2)CC1 1589028018 WNCYPASKAOGCCG-UHFFFAOYSA-N 437.638 4.714 30 10 IJEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)c1cccs1 1593722359 PDWFIIOGMLMWKX-INIZCTEOSA-N 426.542 4.525 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCCc2sccc2C1 1593768082 AGAJISAQYMMOAL-UHFFFAOYSA-N 442.560 4.603 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H](C)N(C)C)CC1 1594218951 YYMKPNBECLBVGK-HXUWFJFHSA-N 425.621 4.723 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1594511347 PENGQWRGDKUYAE-JOCHJYFZSA-N 435.547 4.583 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CCN1CCC[C@H](C)C1)C1CC1 1595027030 WGLMYCSOLWVJOM-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CC)CC#N 1611083603 TYJKMJGLATZKMP-HOYKHHGWSA-N 431.536 4.668 30 10 IJEE C#CCOCCSc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1 1613279177 DFCOEEIBMGKUQZ-UHFFFAOYSA-N 432.570 4.915 30 10 IJEE CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCN(c2ccc(F)cc2C#N)CC1 1621483401 BPSKQLYEGOLLTG-UHFFFAOYSA-N 431.559 4.562 30 10 IJEE N#Cc1ccccc1N1CCC(NS(=O)(=O)c2cccc(Sc3ccccc3)c2)CC1 1622426694 GUBHAVLCHAENON-UHFFFAOYSA-N 449.601 4.657 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1623170133 AJQXKPDFCKYZFS-XMMPIXPASA-N 448.494 4.960 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)ccc1Cl 1623301735 GAXURUHTKFNDRY-LKUPVBHCSA-N 444.984 4.640 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C(C)C 1623334830 KZJFNLKFSBTICC-LJQANCHMSA-N 436.387 4.999 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)OCC 1624251320 AXPKSNDWFHPKLA-SFHVURJKSA-N 433.291 4.808 30 10 IJEE COC(=O)c1ccc(CCNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)cc1 1624848877 HUOCPZLSBNGDHK-UHFFFAOYSA-N 431.517 4.860 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1 1625184182 CQWCBAYPTHQBBU-UHFFFAOYSA-N 445.441 4.607 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 1625398964 AFLATCTZINDVEZ-SAABIXHNSA-N 444.453 4.645 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 1625615025 JLQXNLNKSUKHIT-LJQANCHMSA-N 445.535 4.590 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1OC 1628172825 DAKOQTDZNMDGEH-UHFFFAOYSA-N 426.460 4.755 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccs1)Cc1ccccc1OC 1629689928 STQJDJFTXKZYNP-FQEVSTJZSA-N 442.581 4.592 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2nccc3sccc23)CC1 1637284326 JWXJFUXMBHAACT-UHFFFAOYSA-N 447.482 4.842 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 1637848459 SRQQWPOICNVTCB-NOZRDPDXSA-N 428.532 4.557 30 10 IJEE C#CCN(C(=O)c1cc(C)c(Br)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1638331303 RUBXMBRTZXADIY-UHFFFAOYSA-N 449.389 4.541 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)cc2n1 1639187510 PLPAQCGFONGDJG-XMMPIXPASA-N 440.503 4.829 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@H](CC(=C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1640186755 QPCIZNOMGHGLPT-FNZWTVRRSA-N 442.559 4.732 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN(C)Cc2csc(Br)c2)ccc1Cl 1641571931 GYUDWUPVKRTHJG-UHFFFAOYSA-N 440.794 4.851 30 10 IJEE C=C(Br)CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 1651535419 AYVJVAMIBUFGHZ-UHFFFAOYSA-N 439.281 4.988 30 10 IJEE C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccc(OC)c(OC)c1)CCCC3 1651612073 YQISFSCUHSMUTI-UHFFFAOYSA-N 442.606 4.875 30 10 IJEE COC(=O)c1ccccc1CSCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 1652942364 FQYJZRYWQRSLKA-UHFFFAOYSA-N 425.554 4.750 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 1653988732 VEEDEZXCSPFXCD-HXUWFJFHSA-N 426.365 4.874 30 10 IJEE Cc1cccc(CN(C)CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)c1C 1654547625 FDTCABSJSTWRML-UHFFFAOYSA-N 426.564 4.915 30 10 IJEE C=CCn1c(SCCOc2ccc(Cl)c(F)c2)nnc1[C@@H]1COc2ccccc2O1 1656074714 VWVGUAYPWQGDRC-IBGZPJMESA-N 447.919 4.940 30 10 IJEE C=CCn1c(SCCN2C[C@H](C)O[C@H](C)C2)nc2cc(-c3ccccc3)sc2c1=O 1656137374 KEUDGDJTBYQAJT-CALCHBBNSA-N 441.622 4.512 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2cccs2)ccc1C(F)(F)F 1660186196 AQPBSKSDSXAAMZ-SFHVURJKSA-N 436.480 4.901 30 10 IJEE C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 1661383372 GQUCXDLVPGVOBO-UHFFFAOYSA-N 432.261 4.664 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 1662674428 RVNALQJIHSICNS-SFHVURJKSA-N 441.381 4.744 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCc2ccccc21)[C@@H]1CCOc2ccc(Br)cc21 1668963509 PKSZSNYUFHONHZ-DYESRHJHSA-N 439.353 4.648 30 10 IJEE C=CCCSCCNC(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 1669025422 LAPZNUWWXBFQCK-GOSISDBHSA-N 426.508 4.701 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c(Cl)c1 1669169515 GWPFAOLUEHZWKF-HNNXBMFYSA-N 428.863 4.799 30 10 IJEE N#CCc1cccc(NC(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)c1 1670084309 BWCGGEFQSQQUEU-UHFFFAOYSA-N 426.520 4.686 30 10 IJEE C[C@@H](O)C[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)c1ccccc1 1671278827 DNTDSMLSFHHLAM-NQIIRXRSSA-N 445.567 4.718 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 1671947505 RKBUQHFSOKYVGT-UHFFFAOYSA-N 429.948 4.700 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CC(=O)OCC)c1ccccc1 1672708561 QDUDXUFFLSQEEV-QGZVFWFLSA-N 447.329 4.830 30 10 IJEE CC(C)(C)C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1 1674128443 HCFVFXNAIRLQHK-YADHBBJMSA-N 436.531 4.669 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)[C@@H]1CCCc2ccccc21 1676665458 OOHPBGOTNFNVGP-PKTZIBPZSA-N 434.490 4.510 30 10 IJEE C#C[C@H]1CCCCN1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 1682827666 KZRIHAPPBSCTHE-PKOBYXMFSA-N 427.545 4.833 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(C)CCCS1 1689839022 BUBMOVRVDOBKDB-KOSHJBKYSA-N 436.581 4.861 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCc1csc(CC)n1 1690032671 GWDUHERWYGAEEN-JOCHJYFZSA-N 431.609 4.545 30 10 IJEE C=C(Br)Cn1c(N2CCO[C@H](C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1690234336 AQTOKGYERWTFBX-IBGZPJMESA-N 445.405 4.518 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](CC)N1CCCC1 1690258606 MCOLRLOLCKMSNP-HXUWFJFHSA-N 446.437 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1690263037 XVFNYHGVNGECBZ-UHFFFAOYSA-N 447.587 4.629 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC(C)C)C1 1690284599 KNCRGMWOEWVWAV-IBGZPJMESA-N 434.588 4.684 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1690406543 KERIKUWKLMPLJH-AZUAARDMSA-N 428.552 4.893 30 10 IJEE C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)(C)CC)CC1 1690410487 MRDCMKSFFHJFHJ-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1690431035 ZIRXKGVIGVKVMH-UHFFFAOYSA-N 442.652 4.749 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690449571 KVCJWGLVXMSJKO-PZJWPPBQSA-N 426.609 4.759 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(OC)c1 1705576081 FHMJWAIGVNCIHI-UHFFFAOYSA-N 444.604 4.600 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1c1ccco1 1705683405 HCACPRCCAIKQEB-INIZCTEOSA-N 429.318 4.797 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](F)c2ccc(Br)cc2)CC1 1705782042 NCGKHDKXZXPYLC-MJGOQNOKSA-N 449.368 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccoc1C 1705789585 PRXZIXXXTNHGSS-UHFFFAOYSA-N 432.528 4.734 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 1705795810 RIZYPNRGSKWDPK-NRFANRHFSA-N 448.615 4.686 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CCCC2(CCCC2)C1 1705892220 NFQMIZFBBPZISQ-UHFFFAOYSA-N 431.378 4.966 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2CC(C)(C)C2)C1 1705920925 IESAYNUEVZJRNE-FQEVSTJZSA-N 440.588 4.570 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(N(C)Cc3ccc(C#N)cc3)nnc2C(C)(C)C)C1 1707960806 HDTVHHKLVLJBER-BGYRXZFFSA-N 436.648 4.840 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC2(C)CCCC2)cc1 1710533744 FDNPQGJCOWFCLP-MOPGFXCFSA-N 425.577 4.993 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CCC(C)CC1 1722501924 HEYKGOHYAKYQCY-HVZVEDPUSA-N 449.599 4.725 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1722546167 VSFPTEWXLDIPPF-QAPCUYQASA-N 427.763 4.726 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1722593012 FSWVHCJKLQLVCI-JOCHJYFZSA-N 438.616 4.554 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCCC[C@H](COC)C1)c1ccccc1 1722595794 ZEJFHRBLSMOBLB-JTHBVZDNSA-N 433.600 4.896 30 10 IJEE C=CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)CC[C@H]1C 1722597414 MCOWBMAENKTEQM-ZWKOTPCHSA-N 428.577 4.952 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C1CCN(CCC)CC1 1722615040 XTLFJUIBMKXPSW-UHFFFAOYSA-N 434.588 4.877 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@@H]1C(C)C 1722642977 BULCDQHQEKBXDY-HYBUGGRVSA-N 426.605 4.972 30 10 IJEE CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1)N1CCc2ccccc2C1 1727264340 GHDWMWPBLWAXMY-HOFKKMOUSA-N 448.659 4.834 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC1CC(F)C1 1740566519 VNPWODLOSWGKRK-UHFFFAOYSA-N 449.368 4.704 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1Cc1ccc(OC(F)F)c(OCC)c1 1740724342 ADGVUEBBZMUEDE-QMHKHESXSA-N 432.515 4.832 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCS[C@@H](C)[C@H]1C 1740762796 GORAIRHPZNVXRP-ADGBJGEGSA-N 440.657 4.765 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1740775666 BZURABPIPJBXSP-UHFFFAOYSA-N 431.625 4.813 30 10 IJEE C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(CC1CC1)C1CCC1 1740784300 AFOKGACIARDWNC-UHFFFAOYSA-N 431.378 4.965 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC[C@@](C)(CC)O1 1740893511 MNVFRNABSNMDKU-FOIQADDNSA-N 437.357 4.817 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1740901450 QLRKJGXBTVLWGG-KRWDZBQOSA-N 448.011 4.648 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCSCC)C1CC1 1740911600 WDRQDGTZLPMYHQ-SFHVURJKSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cn(C)c3ccccc23)n1CCC(C)(C)O 1740921683 DXDSKYXEGNBAEW-UHFFFAOYSA-N 435.597 4.852 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CC1(N(C)C)CCC1 1740921999 QIDOETLGZMGDQZ-UHFFFAOYSA-N 425.577 4.823 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1Cc1cc(C)nn1C 1740924216 KHWCPYFJPFJWKX-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@](C)(O)c1ccccc1Cl 1740934451 FLAQXFPDKTUSBZ-QHCPKHFHSA-N 428.964 4.791 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C)[C@H]1C 1748702748 CETNVDZECOTUCS-JKSUJKDBSA-N 431.378 4.754 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(Cc2ccccc2)CC1 1748702991 SWLWFYFJQJHEPT-UHFFFAOYSA-N 431.584 4.751 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCCCSC 1748833729 XNZKELJZSMRFHG-SFHVURJKSA-N 426.655 4.738 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccsc1 1748949532 CXFKKHQVVGVSJF-UHFFFAOYSA-N 445.592 4.548 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749189506 LTQJPMVDOHWBRL-RTBURBONSA-N 431.625 4.841 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1749358670 OGKJUGWIZFQCJP-HXUWFJFHSA-N 427.499 4.732 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCO1 1749386976 QMYNCGGIVPQTIY-KNQAVFIVSA-N 426.561 4.542 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1749402003 HLAWZKZRDTZFPL-OALUTQOASA-N 430.980 4.840 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(SC)CCOCC1)C1CC1 1749521392 NOCGINCBEGWMAI-UHFFFAOYSA-N 433.021 4.589 30 10 IJEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC[C@H]2C)CCC1 1750265546 CJUZAPURUYIQKH-QZTJIDSGSA-N 425.602 4.639 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](CCC)OC 1760196927 UBZPGFLPWVFOJP-INIZCTEOSA-N 426.973 4.701 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCC 1760328516 XCZYESRMRXFTJE-SLFFLAALSA-N 447.624 4.568 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1760375995 AQLGLJFHZRQFMQ-QGZVFWFLSA-N 428.886 4.826 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2scnc2C)CC1 1760381843 BMZCYTXMCKEYJB-QGZVFWFLSA-N 427.549 4.721 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@](C)(O)C(C)C)CC1 1760396407 CQQACLDRDDWYIU-UQBPGWFLSA-N 442.604 4.626 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCC2(CCOCC2)C1 1760428995 NBZVXYMNEGGMDH-UHFFFAOYSA-N 438.616 4.825 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760433197 BICILWRPSVTSGG-ROUUACIJSA-N 431.378 4.537 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1760442337 NHYLBSFMRMCNQV-UHFFFAOYSA-N 437.632 4.895 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](c1ccco1)N(C)C 1760457602 YVAVTXIGTSNDKG-SJLPKXTDSA-N 425.602 4.650 30 10 IJEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(F)cc1C(F)(F)F)C1CC1 1760475961 BDPYOEVRFGRNMV-UHFFFAOYSA-N 448.468 4.501 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CCCCC1)N(C)C 1760497801 SBYYQUKELVGMPE-XPWALMASSA-N 443.680 4.886 30 10 IJEE C=CCn1c(-c2ccccc2F)nnc1N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 1760508439 CKJKOCBBAIMDNT-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ncc(CC)s2)C1 1760536470 HPWMTJXAOMOHIK-FPOVZHCZSA-N 437.613 4.669 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS[C@@H](C)[C@H]1C 1760561893 PTHLJIUQVHFGKP-CABCVRRESA-N 439.050 4.857 30 10 IJEE CN(CCC(F)(F)F)c1nnc(Cc2ccc(F)cc2)n1CCSC(F)(F)F 1767266434 BUFLZRNFOFUJAR-UHFFFAOYSA-N 430.393 4.650 30 10 IJEE COC1CCC(CCn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)C[C@H](C)C#N)CC1 1770566201 FMCZUCNDHBRDGG-LWEYNCJUSA-N 447.587 4.526 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCCCC2)CC1 1772555063 DEIDKTVBKIPFHY-UHFFFAOYSA-N 432.515 4.644 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(C)cc3)cs2)nc1C 1860795962 VOVMPBDSRUZFAH-UHFFFAOYSA-N 445.591 4.957 30 10 IJEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 1860887635 ISTOFUFRQMPDTG-QHCPKHFHSA-N 438.531 4.661 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OC)cc2)cc1 1862392249 SPAHKBRVIGQNRD-LADGPHEKSA-N 449.547 4.795 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862561501 VGLNNMFMCOXOSI-XMMPIXPASA-N 437.499 4.571 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1cccc(F)c1 1862661711 FXUAACNYZRZKDZ-QFIPXVFZSA-N 425.500 4.952 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 1862677484 GIAPLIFJYKQKPV-JOCHJYFZSA-N 438.543 4.653 30 10 IJEE N#Cc1ccc(NC2=C(c3cccc4ccccc34)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862853925 IKOXQYPUFOENJX-UHFFFAOYSA-N 440.462 4.980 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3ccccc3F)C2=O)cc1 1862982316 IHAHVRFMDSMKSG-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CC[C@@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)Nc1ccc(C#N)cc1 1867014174 WDQUAZAZPAYTCJ-JYFHCDHNSA-N 433.552 4.764 30 10 IJEE N#Cc1cccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(-c3ccccc3)n2)c1 1868354514 FDNCKGZSKJUWCN-QHCPKHFHSA-N 434.503 4.732 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc3c(c2)C(=O)CCC3)n(-c2ccc(C)cc2)n1 1870001823 VXBKUTZVOWBQNL-UHFFFAOYSA-N 441.535 4.525 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCC(C)CC1 1870630587 VWKXERHWSVIINJ-UHFFFAOYSA-N 447.664 4.688 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CNc2cccc(OC)c2)cc1=O 1870837470 IILFRWAKYMNGLU-UHFFFAOYSA-N 429.605 4.770 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3C2=O)cc1 1871371120 NRHGZTNKRWZUFW-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE CCOC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 1871420458 YGUPKGKRPFYXIU-BKUYFWCQSA-N 449.484 4.559 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2cc(OCCN3CCCC3)ccc2C1=O 1871444896 ZZRXGEYLVZXVKW-BKUYFWCQSA-N 444.325 4.549 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCC 1871806584 YNTGISSFQAQLGQ-GOSISDBHSA-N 434.524 4.677 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871816769 JDTUNNHVIIVBCA-HXUWFJFHSA-N 428.598 4.850 30 10 IJEE C=CCN([C@@H](CCCC)C(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1871895219 NHCQPJCJISUFFE-QFIPXVFZSA-N 432.561 4.817 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1cc(C)ccc1C 1872070363 SOQDIOWDKNMTLK-OAQYLSRUSA-N 432.561 4.735 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 1872312092 SSJASHJJSYWYQH-HSZRJFAPSA-N 444.597 4.624 30 10 IJEE Cc1ccc(C)c(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c1 1872772242 LYWFGPKWTGCBEF-FQEVSTJZSA-N 443.528 4.921 30 10 IJEE Cc1ccc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c1 1872772245 LYWFGPKWTGCBEF-HXUWFJFHSA-N 443.528 4.921 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(NCc3ccccc3F)ncnc21 1873638242 IYZSJCUMIMXULW-UHFFFAOYSA-N 445.498 4.938 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc(OC)c1O 1874250188 WQXPZBUETVNJHV-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE C=C(C)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccccc1[N+](=O)[O-] 1874261727 PKQHTEATUGWWFQ-AUEPDCJTSA-N 445.451 4.594 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1c(F)cccc1Cl 1874290486 UQNSMKHWSAHCSX-FSJBWODESA-N 432.908 4.819 30 10 IJEE Cc1ccc(C)c(CSc2nnc([C@H]3CCCO3)n2/N=C/c2ccccc2[N+](=O)[O-])c1 1874445772 KIGXNTLXRMKDPV-VMHRPQTGSA-N 437.525 4.829 30 10 IJEE CCCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(OC)cc2)cc1 1874568548 DZPJQPPFRGHAOE-JJIBRWJFSA-N 440.569 4.648 30 10 IJEE COc1cccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)c1 1874573679 ZNTHQJOWXUDWPA-CCEZHUSRSA-N 431.488 4.926 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1OCC(=O)NCc1ccccc1 1874576541 RQMRQIFRYWSKCQ-JLHYYAGUSA-N 437.442 4.565 30 10 IJEE COCCC(=O)Oc1cc(/C=C/C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC 1874715480 BFECERGYXBALCN-GQCTYLIASA-N 439.291 4.849 30 10 IJEE COc1cc(C(=O)/C=C/c2cc(OC)c(OC(=O)C3CC3)c(OC)c2)c(OC)cc1Cl 1875172803 MENWMJVHLKZPMP-VMPITWQZSA-N 446.883 4.586 30 10 IJEE COCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2cc(Cl)cc(C)c2OC)cc1OC 1875182318 WYAYUUIFNUENKL-AATRIKPKSA-N 439.291 4.767 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C[C@H](C)n3nc(C)c(Cl)c3C)cc21 1890487221 BHUTUJQJAYMXEB-AWEZNQCLSA-N 444.963 4.681 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1c1ccc(C#N)cc1 1890861405 HATVUGIAWKEALG-WOJBJXKFSA-N 447.482 4.609 30 10 IJEE C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 1903861700 ALTRINCJVPIQNK-QXEVQDCKSA-N 428.613 4.605 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCC[C@H](CNC(=O)OC(C)(C)C)C1 1922074068 KAWQWDSLYOOBRF-JCYRPKCISA-N 446.632 4.574 30 10 IJEE CC(C)(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(C(F)(F)F)C(F)(F)F 1951936971 RZEXPDKFCFHBHX-NSHDSACASA-N 433.320 4.615 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2c(Br)cccc2C#N)C1 1965603145 XHRGQNJOOZYIRU-AWEZNQCLSA-N 444.320 4.792 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H]1CCCN(C(=O)OC(C)(C)C)C12CCCC2 2024608266 IJQURLWSMBDUGB-IBGZPJMESA-N 437.625 4.759 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1c(Br)ccc(Cl)c1F 2037655549 ZYTYZOOSALSVTO-CZUORRHYSA-N 433.749 4.809 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(c2ccccc2)CCN(CCCB2OC(C)(C)C(C)(C)O2)C1 2044532330 XGPCCGGCKSMDMD-DEOSSOPVSA-N 430.398 4.595 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)c1 2060624307 WZCFSLADFQUEBO-UHFFFAOYSA-N 434.317 4.527 30 10 IJEE CCc1nn([C@H](c2ccc(C)cc2O)C(C)(C)C)c(I)c1/C=N/O 2079140075 GKNXFGKFOAMUJC-OVEPSTSESA-N 441.313 4.508 30 10 IJEE Cc1c(I)cccc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2094848407 BGERISDAFFAMBM-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE CCc1nc(Nc2cc(I)ccc2Br)c(C#N)cc1C 2155478236 LADFLCKVPKNXQN-UHFFFAOYSA-N 442.098 4.935 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2181145473 HHUADFOJXWAGIJ-FOIQADDNSA-N 436.350 4.733 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)nn1C(C)C 2232467227 NEJDIJRWCMFGDK-QAPCUYQASA-N 441.414 4.574 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H](C)CN(C(=O)OC(C)(C)C)C1CC1 2235721581 DUHQZWZGZOGOLI-JXFKEZNVSA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 2235732229 YGGHAOFQCGMGFR-UYAOXDASSA-N 435.406 4.720 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)CCCCCNC(=O)OCc1ccccc1 2253299425 GWGVKAMYMXZFBU-UHFFFAOYSA-N 428.326 4.857 30 10 IJEE CN(c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255845952 MMOHHKYVEKGXSZ-WKILWMFISA-N 430.354 4.869 30 10 IJEE N#Cc1cccc(Br)c1N1CCC12CCN(C(=O)OCc1ccccc1)CC2 2257503780 IEMPTAZQUWUMJZ-UHFFFAOYSA-N 440.341 4.702 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1ccc(NC(=O)OC(C)(C)C)nc1 2262206230 NZISYOKTGAIESC-QFIPXVFZSA-N 442.512 4.734 30 10 IJEE C=CCCC1([C@@H](N)c2ccc(Br)c(OC)c2)CN(C(=O)OC(C)(C)C)C1 2266706937 FOVPGNFQGHTZJA-KRWDZBQOSA-N 425.367 4.661 30 10 IJEE CC(C)(C)OC(=O)NCc1cc(F)ccc1NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2268536921 KOKLFXNKQLITDC-KOMQPUFPSA-N 448.344 4.661 30 10 IJEE CCN[C@@H](C#Cc1ccc(C)cc1)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268737490 GOQGAXJDEHRJQT-VWLOTQADSA-N 448.607 4.779 30 10 IJEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]1(C)CCOCc1ccccc1 2282681545 XMKJNZJLRJJCOO-MHZLTWQESA-N 449.400 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@](O)(C#Cc3cccc(Br)c3)C[C@@H]21 2296227272 NIKSSXOURDFODF-ZWCUEREDSA-N 434.374 4.731 30 10 IJEE CC[C@@](NC(=O)OC(C)(C)C)([C@@H](C#Cc1ccc(Br)cc1)NC)C(F)(F)F 2296299991 BMWCTGRWEXXSAW-CRAIPNDOSA-N 449.311 4.624 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296300397 HMHSWSZUDAXIEO-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2297056583 JJLLUPBOYYXTQG-QFIPXVFZSA-N 428.444 4.525 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)C=Cc1ccccc1 2297485705 HHCPWTFUQURIKK-MHZLTWQESA-N 442.584 4.950 30 10 IJEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317347536 ZBTBBPLOUSTVGJ-GOSISDBHSA-N 432.370 4.654 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1F 2323719299 GDWWVHBHSBJWKJ-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)c(OC)c1 2323767643 CKGPQABRNMEWMO-UHFFFAOYSA-N 445.471 4.605 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OCC(=O)OCC(C)C 2324192995 AABUDUIFKWWJNP-UHFFFAOYSA-N 445.443 4.607 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1Cl 2324607113 GGYJAZGLMBNOOJ-UHFFFAOYSA-N 435.907 4.940 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1cccc(OC)c1OC 2328903689 XWEQOGKBKUTJMG-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2cccc(O)c2)cc1 2330471978 DNSWGNGGQBWVPS-UHFFFAOYSA-N 445.504 4.657 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1OC(C)C 2330705213 BSAVEGKCBFSOEF-UHFFFAOYSA-N 438.553 4.660 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCC3)n2N=Cc2ccccc2O)c1 2331018521 GKUBFAAOYNJRJV-UHFFFAOYSA-N 449.580 4.871 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C=Cc1ccc(OC(=O)c2ccccn2)c([N+](=O)[O-])c1 2331665198 DTDABNFGZYWJEB-UHFFFAOYSA-N 432.432 4.731 30 10 IJEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1 2332197304 PVXIVCMCBWWUEF-UHFFFAOYSA-N 449.514 4.987 30 10 IJEE CC#CCN(C[C@H](Cc1cc(Br)ccc1Cl)NCC)C(=O)OC(C)(C)C 2337911557 VJUPMFJQRMQJHN-KRWDZBQOSA-N 443.813 4.884 30 10 IJEE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCC#N 13914231 IUEXUIGJMRJHKV-GZTJUZNOSA-N 430.689 4.811 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2ccc(OCC)c(Br)c2)cc1 14770823 XMYRWHMOQSFOTF-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(F)cc3)N(CC)C2=O)cc1 20595547 SDOQNTSPTZOSMN-NWIBBQCFSA-N 429.517 4.595 30 10 IJEE CCCCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CC(C)(C)CC1=O)N2 20850790 HBDNVSXGTFTVPP-FQEVSTJZSA-N 442.585 4.846 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1)Nc1cccc(Cl)c1 21076718 HLDSVUFQTRYRTQ-FSJBWODESA-N 439.932 4.506 30 10 IJEE CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 27547795 NJZJMONEIQNPEM-QHCPKHFHSA-N 448.494 4.797 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 34954430 GJSGAUMUWJPNKR-SDQBBNPISA-N 433.416 4.727 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)S/C(=C/c2ccc(O)cc2)C1=O 36257890 HUBYTALKYRSTFM-MHWRWJLKSA-N 435.423 4.955 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCCC)cc2)S/C1=N\c1ccc(F)cc1 101613709 BJXSASCEYKRPRS-UOODYVSWSA-N 441.528 4.761 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 102701735 XVQVRCRYVODVRV-UGUGFTGJSA-N 444.487 4.504 30 10 IJEE COc1ccccc1NC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2C)c2ccccc2C1=O 103746735 OHCXDKARKANYSZ-SZXQPVLSSA-N 446.528 4.682 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2c(-c3ccc(F)cc3)ncn2Cc2ccccc2)cc1 109690267 ZWRCREQCHLQGFK-UHFFFAOYSA-N 426.451 4.627 30 10 IJEE Cc1nc(-c2ccccc2)sc1CO/N=C(/N)c1cccc(OCc2cccnc2)c1 110175941 ISBYEZCCOAWJQB-UHFFFAOYSA-N 430.533 4.930 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)cc1Br 136651552 SBXJPENRXTUMKX-NKVSQWTQSA-N 437.750 4.877 30 10 IJEE C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccccc3)ccc2O1 139585150 GFGDSWNXNSYHBE-KXSWNSJYSA-N 439.511 4.674 30 10 IJEE O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccc(Br)cc3)cc1)NC(=S)N2 169939085 OGWSIMZFUKSYIL-HXUWFJFHSA-N 443.366 4.554 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)cc1 169968083 KOPFWQIQMZZFHG-HSZRJFAPSA-N 443.455 4.515 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2cccs2)c1 169989784 CYIHVWNWYHOEJM-FQEVSTJZSA-N 445.500 4.806 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(O)cc1 170138021 WBDUHCPZFHSIDZ-QFIPXVFZSA-N 435.476 4.532 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccn2)cc1 170172085 URTKMJFVSKMZKF-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2cccnc2)cc1 170184163 WWDOASOSVMFCAC-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(OCCC)cc1 170215365 PBGLTAOBYLKOEH-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1 170244425 TWYYWHDRSLAOAF-NRFANRHFSA-N 443.927 4.697 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)c1 170294904 MRLBDMZIUVVHTJ-UHFFFAOYSA-N 439.560 4.793 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1 170332366 UNCXNCOJUIIXMJ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cc(Cl)ccc2C)cc1OC 170434441 BMXYBSHPERINBL-FQEVSTJZSA-N 429.900 4.791 30 10 IJEE CSc1nc(O)c(C(=O)NCc2ccccc2COc2ccccc2Cl)cc1C#N 439930410 XUJYIJJLUOMZOD-UHFFFAOYSA-N 439.924 4.543 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 460927838 OAZRIWODAIGBKK-YKSBVNFPSA-N 444.535 4.643 30 10 IJEE C[C@@H](N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)c1ccc(C#N)cc1F 479522252 AGWBZKZFGHXOCG-BMLIUANNSA-N 431.227 4.863 30 10 IJEE CC1(C#N)CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC1 507827975 HLAYFLBKCVBAND-UHFFFAOYSA-N 430.352 4.676 30 10 IJEE C=CCn1c(CCCc2cccs2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508494840 RQSGTZMNDOOYNR-UHFFFAOYSA-N 433.581 4.620 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC(C)(C)C)C1 508955138 CYRMNXPCFBFIDK-HNNXBMFYSA-N 434.993 4.578 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 525517755 BOQULDJTDBKGAW-UHFFFAOYSA-N 425.414 4.983 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2cccc(C)c2)c1OC 526607175 NLIXCUWJSJGKHP-HSZRJFAPSA-N 426.472 4.941 30 10 IJEE Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1/N=C\c1ccc(O)c([N+](=O)[O-])c1 526814618 MWSPVPJUUCIHAJ-ZBKNUEDVSA-N 438.296 4.682 30 10 IJEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2c(F)cccc2Cl)ccc1O 526817511 OPIONBHSMGXRPE-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)n2)c1 547062138 BDQHUELREDMTNI-IAGOWNOFSA-N 429.398 4.822 30 10 IJEE C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 549273231 WTAOSKIRLJCNFD-MGPUTAFESA-N 427.980 4.973 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 549641814 XXGFADFPVSUCKG-KKSFZXQISA-N 440.569 4.566 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 576047991 YZZHQDNYLIUKFD-DQEYMECFSA-N 437.547 4.875 30 10 IJEE COc1ccc(OC)c(N(Cc2cccc(C#N)c2)S(=O)(=O)c2cccc(Cl)c2)c1 586196643 DJUWKIWDZMURRD-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE C=CCn1c([C@@H]2COCCO2)nnc1N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C 685542705 MOJMZNFVBVMLSK-FQEVSTJZSA-N 442.560 4.835 30 10 IJEE N#C[C@@H](COC(=O)CCc1cc2ccccc2nc1O)Cc1ccccc1Br 786639856 UCDMROGMBTXEML-HNNXBMFYSA-N 439.309 4.561 30 10 IJEE C=CCn1c(SCC(=O)OCC(F)(F)F)nc2scc(-c3cccs3)c2c1=O 788478201 NTAOBYPBJVVUTL-UHFFFAOYSA-N 446.497 4.570 30 10 IJEE C=CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1OC 790279642 GBSKCLXNLBVVTI-FQEVSTJZSA-N 441.528 4.761 30 10 IJEE C=CC[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12)c1ccncc1 805314459 GQAIUMXRNWIMHY-CLJLJLNGSA-N 435.527 4.874 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 806268318 BTQOEPUDHQSTNY-JOCHJYFZSA-N 438.593 4.690 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 814635489 CIRYMTPENIIHBC-QFBILLFUSA-N 444.601 4.849 30 10 IJEE CC/C(=N\OCC(=O)OC1CCC(C(C)(C)C)CC1)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 821223736 QCWHLXCSRNUPRH-COPVYWRBSA-N 444.572 4.709 30 10 IJEE Cc1c(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)sc2ccc(F)cc12 920551987 BCBTUFWYRKIFSF-NSHDSACASA-N 428.510 4.955 30 10 IJEE Cc1cccc(NC(=O)CCSc2n[nH]c(NN=Cc3c(O)ccc4ccccc34)n2)c1 1084066195 HPZJXWAEXRBVOY-UHFFFAOYSA-N 446.536 4.539 30 10 IJEE CCCn1c(=O)n(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2ccccc21 1125976615 GKDMFDTYZKKFIS-UHFFFAOYSA-N 440.503 4.906 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2Br)cc1Br 1127023877 FCQYIMKJDVSNRJ-UHFFFAOYSA-N 444.510 4.754 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)CC)c1 1128070929 CSDWANPQXLPRIC-UHFFFAOYSA-N 434.989 4.887 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCSc3ccc(C(=O)OCC)cc32)cc1OC 1128129544 BMBJDGWPWIDTDG-YRNVUSSQSA-N 439.533 4.589 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC2(C)C)c1 1128728363 VNHGFVAEWRHBPO-HXUWFJFHSA-N 432.973 4.640 30 10 IJEE COc1ccc(Br)cc1-c1ncc(C(=O)Nc2ccc(C#N)c(F)c2)s1 1129459195 FBGPFCLVKJTYKV-UHFFFAOYSA-N 432.274 4.844 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(c3nc4c(s3)CCC4)CC2)CCCN1C(=O)OC(C)(C)C 1134470880 JAGSFXYGXWFCBY-DEOSSOPVSA-N 445.629 4.684 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 1136462733 UMDYSLNCDGMUPQ-VXKWHMMOSA-N 442.506 4.672 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)C[C@@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)cc1 1141978180 WBQHMHUONROWPU-HHHXNRCGSA-N 445.563 4.853 30 10 IJEE C#CCN(CC(=O)N(CC)[C@@H](c1ccc(Cl)cc1)c1cccnc1)C(=O)OC(C)(C)C 1144630017 KQKFYUNFZKZRRM-QFIPXVFZSA-N 441.959 4.543 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 1146933635 IUPPMNFRFQOSKT-AWEZNQCLSA-N 434.842 4.526 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 1148732806 FYVCFJZHFZGMGK-OAQYLSRUSA-N 434.552 4.583 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 1154366887 DILUKZJDINKQBA-KRWDZBQOSA-N 433.335 4.883 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1164489618 RBFLJVXSQWJAIY-GOEBONIOSA-N 432.659 4.912 30 10 IJEE N#Cc1c(NC(=O)CN2CC[C@H](Oc3ccccc3Cl)C2)sc2c1CCCCC2 1168361694 FQXYQGWYTCFNFK-HNNXBMFYSA-N 429.973 4.634 30 10 IJEE C#C[C@H](CCC)NC(=O)c1sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c2c1C 1183358622 DXYCSISTIKHTKN-MRXNPFEDSA-N 439.606 4.734 30 10 IJEE CC(C)(C)CCN(CCc1ccccc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1197272517 BBEHCAPBWCSHHD-UHFFFAOYSA-N 429.568 4.663 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)c1ccccc1 1246653019 LKULOTBIWRTDLR-DEOSSOPVSA-N 437.559 4.710 30 10 IJEE COC[C@]1(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)OCCc2ccccc21 1274586642 AJWPHUZIDAFKBV-MHZLTWQESA-N 442.515 4.503 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C(C)(C)C)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 1286273277 HNSDFUKFLPRQDZ-QGZVFWFLSA-N 425.577 4.623 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(CC)C(C)C 1286496945 LNZGUIHXCLLCTM-UHFFFAOYSA-N 425.627 4.978 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC1CC(F)C1 1286499973 XNCIRXUKVFOKGO-KLHKWILBSA-N 432.634 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)cc1 1286554818 IKPIZCVLKZYCBH-AZUAARDMSA-N 445.405 4.926 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1286671982 DKEGEQCDSILRCE-GOSISDBHSA-N 445.007 4.526 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1286691243 XFHHWWPVPFKAND-UHFFFAOYSA-N 434.569 4.572 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H]1CCSC1 1286826346 FIPPFOCREBZXLG-RDJZCZTQSA-N 434.700 4.992 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCC(N(C)c2ccccc2)CC1 1286832942 RKDRHMXMGVOSAO-UHFFFAOYSA-N 425.646 4.960 30 10 IJEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)N1CCCC1 1287155678 FHZBLNHCEXZWHN-GOTSBHOMSA-N 434.632 4.810 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@](C)(O)c2cccc(Cl)c2)o1 1289552565 HLHXXJYOKFNWIO-QHCPKHFHSA-N 439.947 4.538 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)c1 1290332804 AIHBDLXDXIVJOF-NRFANRHFSA-N 446.580 4.719 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)CCc3ccccc3N3CCOCC3)cc2)c1 1293224629 BKIKKHPQNAQRMO-UHFFFAOYSA-N 427.504 4.758 30 10 IJEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@H](C)C2)cn1 1294952116 CNQWHEPUYKCOFI-RTBURBONSA-N 430.556 4.531 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)CCCCC1 1299891989 DHMPPXATXMYKQN-QGZVFWFLSA-N 445.011 4.610 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]2CCC[C@@H]21 1300424533 JBXJOVAMBFLENP-AABGKKOBSA-N 427.593 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@H](c1cccc(OC)c1)N1CCCC1 1300780298 PAOUMLOTXJNBKC-ROSOWXQZSA-N 435.616 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1300813462 KURDOHHQFPCMQK-LSCGWGKXSA-N 434.628 4.897 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCc1ncc(CC)s1 1300816280 LDBCYHVGCFGRMK-RUZDIDTESA-N 449.624 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1300876030 RCPPPVJUVRSWLE-XFEYQPKCSA-N 427.420 4.793 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N(Cc1ccccc1OC)C[C@H]1CCCO1 1300958940 ZMBHPTHYNSSBFH-OAQYLSRUSA-N 438.597 4.701 30 10 IJEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCCC)CC[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1300965660 VGTLTOWXHHBSQI-FCHUYYIVSA-N 449.643 4.845 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1301019680 WRHSPWUSYHNSNZ-FQEVSTJZSA-N 436.991 4.596 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2sc(C)nc2C)CC1 1301096024 TZGUYDPPROFUKG-UHFFFAOYSA-N 437.613 4.946 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@](C)(CC)O1 1301354613 DNIZFRHVZVEXSY-GJZUVCINSA-N 449.574 4.943 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1CCc1cccc(F)c1F 1301410816 MARSBJMBJPRVTL-OAQYLSRUSA-N 442.510 4.869 30 10 IJEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCC(C)=C(Br)C1 1301528818 FNZSULFRERIOLY-UHFFFAOYSA-N 429.362 4.648 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccco1 1301600837 JWWVGDDDHMLRSP-GOSISDBHSA-N 425.514 4.707 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1304738431 VNBGIQUIVUNZTF-FHFCDEBKSA-N 432.586 4.509 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](CC)C2)on1 1306408687 DXKIGAMJZLXMHI-LAUBAEHRSA-N 448.571 4.760 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1c[nH]c2c(Br)cccc12)c1ccc(F)c(F)c1 1309417835 FMUPEAHBFLIUIS-QGZVFWFLSA-N 441.297 4.804 30 10 IJEE C#CCN(C(=O)Nc1ccc(Cl)cc1OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1310427963 OXVTVNYGXCHUIP-UHFFFAOYSA-N 435.952 4.605 30 10 IJEE C=CCC1(NC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCCCC1 1312264038 BBGNVDGXUWLMPA-UHFFFAOYSA-N 434.422 4.992 30 10 IJEE C=CCc1cc(CNC(=O)CSc2ccccc2Br)cc(OC)c1OC 1351766769 ZBSUYVDLSQMMHY-UHFFFAOYSA-N 436.371 4.603 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 1357371083 HVYAEBQXYRFFGJ-UHFFFAOYSA-N 435.376 4.870 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1358907449 PHRVEKLTGPCBMV-UHFFFAOYSA-N 445.615 4.554 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1358980270 PCMYWJSOINBXNZ-PKOBYXMFSA-N 434.893 4.889 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1C[C@H](C)N1CCC[C@@H](C)C1 1359015393 RWXIIUMNUGLYAG-NJYVYQBISA-N 425.596 4.691 30 10 IJEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1359050583 VJZYWGSETHAWQB-QAPCUYQASA-N 448.434 4.561 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)C(C)(C)C1)c1ccccc1 1359139827 FYMBPALVIQAQHV-IBGZPJMESA-N 449.624 4.855 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](CCC)C1 1359146715 HJGJTFAOFBKBRF-SFHVURJKSA-N 434.968 4.500 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCSCC(F)(F)F)CC1 1359163831 USKAENBGHYGGNE-UHFFFAOYSA-N 448.518 4.583 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CC1CC1 1359203762 VMVZBWSJRNTPEY-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1359206105 UQLUJFMBDHRHIV-OALUTQOASA-N 427.618 4.642 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1CCCCO1 1359233882 USOYJHKIOVSQHG-INIZCTEOSA-N 437.357 4.818 30 10 IJEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1359285625 WNELULAIZUGMLU-HNNXBMFYSA-N 449.502 4.999 30 10 IJEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)(F)F 1359761087 CPROXLXVKLZSQC-MOPGFXCFSA-N 435.494 4.657 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(Oc2ccccc2)cn1 1360644071 NCMLZVRQDSCQDW-UHFFFAOYSA-N 442.288 4.999 30 10 IJEE CC(=O)c1cc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)ccc1C 1452487076 DNKHZOSODCEOKZ-JOCHJYFZSA-N 433.508 4.542 30 10 IJEE CCOc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(OC)c(C#N)c2)cc1OCC 1454980760 BFDJUZIGKVOGGU-UHFFFAOYSA-N 444.487 4.848 30 10 IJEE C=CCn1c(SCc2cc(C(F)(F)F)nn2C)nc2sc3c(c2c1=O)CCCC3 1458815651 GXXRDQQNNBLIJG-UHFFFAOYSA-N 440.516 4.567 30 10 IJEE O=C(Cn1nc(C(F)F)cc1C(F)F)O[C@@H](c1nc2ccccc2o1)C(F)(F)F 1459725192 HGVFQNZBHOEQHZ-LBPRGKRZSA-N 425.260 4.746 30 10 IJEE N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 1461836690 AWXLHUPGJBMNFI-IBGZPJMESA-N 438.291 4.850 30 10 IJEE CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)NCc2ccc(C#N)c(Cl)c2)c1 1467255749 DRMJRYXTNAYCOA-UHFFFAOYSA-N 433.339 4.963 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C 1467931969 ISZMCYDVUIVUEV-COPCDDAFSA-N 446.588 4.635 30 10 IJEE CN(C)c1cc(NCc2cccc(OCc3ccccc3C#N)c2)ncc1Br 1474147730 BGRDWAQVJIGAME-UHFFFAOYSA-N 437.341 4.973 30 10 IJEE C#C[C@H](NC(=O)NCC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1478235731 LVIJMGQATDVVRP-GWJPWWOOSA-N 427.951 4.753 30 10 IJEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1494738945 BJIXMYIBCWVXMY-HXUWFJFHSA-N 448.546 4.835 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccc(Cl)s1 1495749357 CHVNVVRUIKQQNU-INIZCTEOSA-N 441.004 4.753 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@](C)(O)C1CCCCC1 1507605479 UYGQAVYJRPVFKJ-MHZLTWQESA-N 445.611 4.753 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(Cl)c1 1507649216 SRBHHKBGUUAWJU-UHFFFAOYSA-N 445.773 4.544 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccnc(Oc2ccccc2F)c1 1507666933 HVNXYMHEXFKBHF-UHFFFAOYSA-N 443.526 4.773 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1507747225 FYYOEFGTMYXXPZ-HOTGVXAUSA-N 433.419 4.556 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc(C)cs1 1507764607 NUWGKRLCTFOBEX-NTKDMRAZSA-N 435.597 4.840 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(C)C 1507798489 TZEAUABPZNLIBC-WMLDXEAASA-N 439.423 4.843 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1507801362 UOCJYJXIUVLQPS-LAUBAEHRSA-N 441.938 4.750 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507802742 CJBUHGYXGFNURH-JWUVWSEFSA-N 448.533 4.793 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(N2CCCCC2=O)CC1 1507911231 DRJICMQSQKPORN-UHFFFAOYSA-N 435.616 4.837 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)C(C)C)CC1 1507913197 VDTDKBJVQOENPP-UHFFFAOYSA-N 444.023 4.942 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCCO1)c1ccccc1 1507928774 LSTSNCOJOYKTAO-DNQXCXABSA-N 431.584 4.629 30 10 IJEE C=CCCCCn1c(N2CCSC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507938010 WNAYWYHDWWLRHK-HDICACEKSA-N 449.665 4.737 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1507960691 VJNYFZXBEOCDON-LJQANCHMSA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1cnn(CC(C)C)c1C 1507976749 GMQWKWUCJOQUPH-UHFFFAOYSA-N 443.393 4.539 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@H]1CCC(F)(F)C1 1508000203 SVBBHHARLQJZBY-HXUWFJFHSA-N 434.494 4.840 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1508000822 DWBRSDPZMLYSJE-SFTDATJTSA-N 439.648 4.656 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCO[C@@H](C)C1 1508008695 QJXWYBKWYKXSMQ-IPJJNNNSSA-N 428.552 4.667 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(I)cn2)c1 1520377358 PJVIZTXXQRJWMQ-UHFFFAOYSA-N 444.297 4.576 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1ccc(Br)c(C#N)n1 1526374336 FSHMDFFNSQRDQN-UHFFFAOYSA-N 445.317 4.634 30 10 IJEE C#CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1526552224 WZGAPHKLVMLWBZ-UHFFFAOYSA-N 445.375 4.815 30 10 IJEE C=CCC(F)(F)C(=O)N1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1529258912 CXLBXPJZPJTMKC-PMACEKPBSA-N 436.543 4.963 30 10 IJEE C#CCN(C(=O)CCOc1c(C)cccc1C)[C@@H]1CCOc2ccc(Br)cc21 1529627565 QIIYRVZPZWPRKZ-HXUWFJFHSA-N 442.353 4.820 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1539034308 BRSJUKXCHGXEOF-SCYDXJQRSA-N 445.032 4.623 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(OC2CCCC2)CC1 1539081687 FOVTYYWQXLQLBO-UHFFFAOYSA-N 440.563 4.728 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)CCC(C)C 1539306415 XIWLBGAQGJFRDN-QHCPKHFHSA-N 447.410 4.902 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCC1(C)C 1539397143 YUSRUTNAKOUAFI-FGZHOGPDSA-N 438.616 4.947 30 10 IJEE C=CCN(C(=O)c1c(I)ccc(Br)c1F)C(C)(C)C 1539413016 YCIFMNXSXPNRPL-UHFFFAOYSA-N 440.094 4.620 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1539504338 DRRPXHWMCZJMHS-UHFFFAOYSA-N 425.989 4.559 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccc(C)n(C)c1=O 1539659097 JBNNOVDQHMMRTC-UHFFFAOYSA-N 446.382 4.710 30 10 IJEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1539723510 STJSPOHMOYXRGR-OAQYLSRUSA-N 425.508 4.569 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(C)C)C1 1539759043 OHXCQJPXWNRVNZ-QFIPXVFZSA-N 426.605 4.939 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1539921270 UCAURBAFBWZVKZ-QZTJIDSGSA-N 430.543 4.612 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1ccccc1 1539938830 CHWWHONHHUAZLR-DNVJHFABSA-N 438.616 4.783 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540013003 HCIBHANWNKTOBR-LJQANCHMSA-N 440.588 4.510 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc([C@@H](C)O)cc1 1540141056 YIXJVLACOLEUKB-GOSISDBHSA-N 431.565 4.696 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC)cc1 1540147982 YDUCMFQTRPOLTI-HXUWFJFHSA-N 438.597 4.873 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCc2csc(C(C)C)n2)C1 1540895116 LSSWRFUWQCNDHH-FQEVSTJZSA-N 429.634 4.615 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1542447531 KGDMWFOLOVBVRB-YADHBBJMSA-N 428.573 4.575 30 10 IJEE CCc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1CC(C)(C)c1ccccn1 1546277469 FBLDORQECFJBEF-IBGZPJMESA-N 432.572 4.531 30 10 IJEE COc1ccccc1/C=C1\S/C(=N\N=C/c2ccc(O)cc2)N(Cc2ccco2)C1=O 1554646112 IMNNYTFQTBAKDS-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C 1559885566 RZELVLHJZILXFG-DLBZAZTESA-N 435.996 4.654 30 10 IJEE C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(OCC(F)(F)F)cc1 1561161617 AJTWJGJGBMGNDY-JTQLQIEISA-N 445.356 4.825 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c(C(=O)OC)c1)c1ccc(Cl)cc1F 1562634228 JVZAVCNHRRSGOK-INIZCTEOSA-N 439.668 4.524 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)CC1 1563913401 REKCCSUJPJSVPK-XGAFWQRZSA-N 426.944 4.789 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC=CCC1 1566891366 MZXSEAHLUVGSDJ-QHCPKHFHSA-N 436.939 4.825 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 1567897094 CWYIWZBHJLFSGZ-IBGZPJMESA-N 447.576 4.899 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1584398574 QIAYNEYNYIRHEL-KNQAVFIVSA-N 447.604 4.793 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(N(CC)CC)CC1 1587827647 SENMZBKXMAEDAM-UHFFFAOYSA-N 434.415 4.976 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1csc(C)c1 1588288648 FXWRWUKBIQNZDD-UHFFFAOYSA-N 433.350 4.724 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1589233275 HAYKOCUPOQYWSK-NBGIEHNGSA-N 443.636 4.552 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H](C)SC 1589234685 XNXHHVWVDCOEJJ-WZONZLPQSA-N 447.048 4.995 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1589296605 VITPHUWOLUCNGI-VIBAHUMZSA-N 435.341 4.701 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CCC)CC1CC1 1593878054 CJKHXPCYKFYGGF-GOSISDBHSA-N 438.016 4.772 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H](OC)C(CC)CC)CC1 1594036750 XFVYEEZDABVEQC-NRFANRHFSA-N 427.549 4.851 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2OCCC2(C)C)CC1 1594133614 ALHHJJNOEXZGCI-FQEVSTJZSA-N 428.602 4.551 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2nccnc2C)CC1 1594473108 MUVAWDCHMNZCIA-UHFFFAOYSA-N 445.615 4.535 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1594533324 BRBNPURERNCVPU-MSOLQXFVSA-N 430.597 4.691 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1594590934 FRPKGTXQQABTSE-NRFANRHFSA-N 435.616 4.776 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC2(CCCC2)C1 1594784191 UDFYYUIJHQZOCK-IBGZPJMESA-N 428.552 4.920 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[C@@H](OC)C(F)(F)F 1594998066 WZDFCFKZAXSWKI-GOSISDBHSA-N 440.510 4.744 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccsc1 1595084167 IEIFXMOGKHGCBK-HOYKHHGWSA-N 435.597 4.825 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCC(C(C)C)CC1 1595658465 DSHYADMKCHIGJP-UHFFFAOYSA-N 431.584 4.749 30 10 IJEE C=CC[C@]1(C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CCCN1C(=O)OC(C)(C)C 1596323493 NNZOVJCRJGYTOD-HSZRJFAPSA-N 446.498 4.743 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)c2cc3c(Br)ccc(Cl)c3[nH]2)cc1 1596952847 IKZPRXPNUOFGQV-UHFFFAOYSA-N 432.705 4.752 30 10 IJEE C#C[C@@H](NC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1)C(C)(C)C 1597002341 JWXVNEBXCKXCLO-OAQYLSRUSA-N 438.593 4.584 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2)nc1 1597981765 HWMAKPNZDZNZBF-UHFFFAOYSA-N 443.459 4.508 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H]3c3ccc(C(C)C)cc3)ccc2c1=O 1609998574 ZXZKNGMCJOFJSH-QFIPXVFZSA-N 433.577 4.972 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCCc2ccccc2C)nnc1-c1cccc(Cl)c1 1613655312 UVOYRHBXHSJMAP-KRWDZBQOSA-N 441.000 4.932 30 10 IJEE CCOC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1616058641 GZLKSYCHPDHAPE-QHCPKHFHSA-N 443.617 4.524 30 10 IJEE CC[C@@H](c1ccc(F)cc1)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 1620555411 GDOIGYJDSORKTE-OFVILXPXSA-N 436.575 4.538 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc2ccccc2nc1Br)C(C)C 1623728354 UJPLBBNOMBPCIR-LJQANCHMSA-N 431.378 4.817 30 10 IJEE C=CCc1cc(CNC(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)cc(OC)c1OC 1625993600 KNLOXWHLFVMVIO-UQBPGWFLSA-N 446.588 4.522 30 10 IJEE Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(CC#N)c3)c2)c1 1627757325 HOUSABLDMBBGOA-UHFFFAOYSA-N 439.924 4.768 30 10 IJEE Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1633236395 FPWMEDFKRCIDIR-QHCPKHFHSA-N 431.536 4.748 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1F 1636572344 ZTNNVFQAZGKKJU-APPDUMDISA-N 433.270 4.917 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 1637261402 WNWSWAXNWDVDGW-HZPDHXFCSA-N 429.344 4.706 30 10 IJEE C#CCOCCSc1nnc(-c2cccc(Cl)c2)n1-c1cc(Cl)ccc1OC 1640579194 XHUZZUCCPXKYOA-UHFFFAOYSA-N 434.348 4.992 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC(F)F 1648763434 KJUOCKGWHDJQBW-NRFANRHFSA-N 428.479 4.631 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 1652424024 OCGDXNRHDKIJJX-IBGZPJMESA-N 446.364 4.604 30 10 IJEE C=C(C)CN(Cc1ccc(I)c(Cl)c1)Cc1ccc(CO)o1 1653575589 QTPOYHBJUVQULB-UHFFFAOYSA-N 431.701 4.608 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3C[C@H](C(=O)OC(C)(C)C)CC[C@H]3C)c2C#N)C1 1654778702 GSSQVWATANTUMW-BRWVUGGUSA-N 445.629 4.515 30 10 IJEE C=CCN(Cc1ccccc1F)Cc1nc(Br)c(Br)n1CC 1657428395 AOVUGAZYSIWWJK-UHFFFAOYSA-N 431.147 4.755 30 10 IJEE C#CCOc1ccc(Br)cc1CNc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 1657853092 NHKMIZSTKLUNKV-RBBKRZOGSA-N 430.342 4.756 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1)c1ccc(Br)cc1 1660217947 MIEMASCWRSSQPW-GOSISDBHSA-N 427.277 4.578 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c(Cl)c1 1662665909 BOEMTBJDVVZQPQ-INIZCTEOSA-N 447.944 4.830 30 10 IJEE COc1cc(NC(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)c(F)cc1C#N 1663615781 GTGZVMVIFDLFRP-QGZVFWFLSA-N 448.292 4.846 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC2(CC2)c2ccc(Br)cc21)C(C)C 1665701616 NSHPAHSHBBPAAH-FQEVSTJZSA-N 432.406 4.709 30 10 IJEE N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1 1674197255 FTYRGZBHVCLWMZ-UHFFFAOYSA-N 441.265 4.821 30 10 IJEE C[C@H](NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)c1ccc(C#N)cc1 1677508067 BMEGCDCHUKYNQK-QFIPXVFZSA-N 426.564 4.963 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 1677522288 HUZUIYXIVDKDAX-UHFFFAOYSA-N 431.508 4.653 30 10 IJEE C#C[C@@H](NC(=O)NCCc1coc(-c2ccc(C)cc2)n1)c1ccc(Br)cc1 1678220607 CWEHHNPPACCEHH-HXUWFJFHSA-N 438.325 4.629 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 1679780072 ODVGUQONAHJQKL-ZQMYSKGWSA-N 444.572 4.753 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1681201044 DDXUYLNZEVZTBE-IBGZPJMESA-N 439.600 4.671 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 1684019648 RIXIUQJGUCYYBM-QGZVFWFLSA-N 440.396 4.658 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1685648939 YEMDIKRCSCFBAB-ZNZIZOMTSA-N 428.580 4.557 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCc2ccccc21 1689838236 WECMDIWKUNHFOT-GOEBONIOSA-N 441.398 4.957 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1690289750 QBKOGCFKNFYVFD-KRWDZBQOSA-N 432.952 4.877 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](OC)[C@@H](C)CC)CC1 1690402841 RPBUQXORHXRWPT-MBSDFSHPSA-N 434.588 4.799 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)[C@H](C)CCC)CC1 1690406611 MKVUXYIAYXZYML-QGZVFWFLSA-N 429.996 4.553 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](COC)C1 1690437988 VZABHPZBLMRKNK-OAQYLSRUSA-N 426.605 4.939 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCOCC2(CC2)C1 1690454196 XISOPJJPZBRBKZ-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(C)C)CC1 1690460279 FXSDSPVYLZNGJF-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(CC#N)CC1 1690500193 NSVDHJWFXLMOMP-UHFFFAOYSA-N 439.629 4.998 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1csc(Br)c1 1690655439 VHORVNGZFDMGBA-GDBMZVCRSA-N 439.423 4.843 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)C[C@H]2CC=CCC2)cc1 1690680657 XQYYSBWPDNQPAX-NRFANRHFSA-N 429.568 4.670 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1690682097 DLCONHSYSCQQIX-DHIUTWEWSA-N 449.599 4.537 30 10 IJEE C=CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1690737538 PFUNAODKSPEHGD-KDURUIRLSA-N 442.629 4.752 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1705509712 JDDLIZWPDHGXQY-FGSXEWAUSA-N 442.991 4.879 30 10 IJEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(c2ccsc2)CC1 1705529997 MORFMGFTTNXGHG-UHFFFAOYSA-N 436.581 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1c(C)coc1C 1705574507 FUOUFGMHNUGRDO-UHFFFAOYSA-N 441.560 4.708 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC)Cc1ccc(F)cc1F 1705703716 ONKJDCGSEVGHJH-AVRDEDQJSA-N 441.526 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1cc(OC)ccc1OC(F)F 1705712048 JIFVNQDZRYUCBP-UHFFFAOYSA-N 432.471 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC(F)(F)F)cc1 1705717005 AJTSXPCVQBWNTQ-GOSISDBHSA-N 438.494 4.564 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](CC2CC2)C1 1705724171 SBONAJIFNWLXOR-NHCUHLMSSA-N 437.588 4.651 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705762976 MPJGLPKLGMSLSK-FZOAFFARSA-N 426.605 4.988 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](OC)[C@H](C)CC)CC1 1705764612 GDGSGTSNXDGMHJ-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCSC)CC1 1705775878 PNTVAZADAQWNAS-UHFFFAOYSA-N 427.618 4.693 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1705779436 JPEJUIFSEMKTIE-XMMPIXPASA-N 447.631 4.510 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1705784056 GEJABQMWAHWKQP-QHCPKHFHSA-N 425.596 4.855 30 10 IJEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(C(C)C)CC1 1705812636 HIGGNSPROHUEOW-UHFFFAOYSA-N 428.577 4.810 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1c1csc(C)n1 1705831220 KUGPZCQNXYDXPH-JOCHJYFZSA-N 437.613 4.876 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1c(C)noc1C 1705856696 BQKCSTRQLLAZDA-KRWDZBQOSA-N 446.555 4.883 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1CCN1CCC(C)CC1 1705862873 YIPGTGBLJKWELS-UHFFFAOYSA-N 437.563 4.910 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1705879691 IICUAUXWFSCVFH-NNWRFLSQSA-N 442.604 4.799 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705887326 ZCHCCYGAZHWDCV-BJLQDIEVSA-N 430.980 4.880 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705948567 XNQUVHSRDVGKCS-OAQYLSRUSA-N 430.593 4.647 30 10 IJEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCCCCC1 1706447937 HHVUBYYVIDSDSV-RUZDIDTESA-N 439.604 4.686 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)n1 1707839056 GMAHBVQJOQQVRE-MBSDFSHPSA-N 431.588 4.735 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCCc1nc(C)cs1 1722277480 MZUUWKKEFBLMGB-SFHVURJKSA-N 445.596 4.581 30 10 IJEE C#CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCc1cnccn1 1722327375 LCXLYHGHMWHOGL-UHFFFAOYSA-N 436.972 4.696 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722328841 ZEYWVOYIQPKHJT-AVRDEDQJSA-N 442.991 4.880 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cccc(C)c1 1722496930 OXZVGUKEXWLTGK-RBBKRZOGSA-N 437.975 4.920 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(C)C1CCCCC1 1722498860 FPFZSBOJKLFRAO-CYFREDJKSA-N 440.588 4.616 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC[C@@H]1CCO[C@@H](C)C1 1722678401 PTFYVFLEBYGSSJ-DLBZAZTESA-N 436.959 4.582 30 10 IJEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1Br 1722735387 KLKRFBFQWTYUPC-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1)c1cccnc1 1723108590 BAJLWNJFMYNANX-RPWUZVMVSA-N 444.583 4.657 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC(C)(C)[C@H]2C)on1 1727166916 DVWMVFIWZJTWMX-QGZVFWFLSA-N 448.571 4.760 30 10 IJEE CCCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C#N)C2)CCC1 1727967737 HDTOKTLJFNYYIA-MRXNPFEDSA-N 434.371 4.951 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(CCC(C)(C)C)CC1 1740589262 SXGOIFLXIVVKBO-UHFFFAOYSA-N 446.599 4.572 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC)C[C@H](C)CC 1740758542 YXVBHMHYDJHQJX-DPLHUUCSSA-N 448.615 4.984 30 10 IJEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCC2(CCCCC2)C1 1740797511 QJSFEXXBMNCRGW-UHFFFAOYSA-N 440.588 4.619 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC(Cl)=C(Cl)C1 1740815841 LTJSRZTTWVCKJD-UHFFFAOYSA-N 429.735 4.518 30 10 IJEE C=CCCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740860792 QDBKMXPBTBXBPU-UHFFFAOYSA-N 446.599 4.544 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740903807 MAFJAWUKLWUPHJ-DFBJGRDBSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)s1 1740913803 HQGKBFRDHDNSNQ-KRWDZBQOSA-N 444.988 4.746 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1Cc1cnccc1OC 1740935910 ASIKJSFJFXBUEP-UHFFFAOYSA-N 449.942 4.879 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(F)(F)F)n1 1740936266 NKINCOWZHCUMMW-UHFFFAOYSA-N 442.445 4.563 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(OC)c(Br)c2)n1C1CC1 1740936433 UPOLSKBNEUBKGO-UHFFFAOYSA-N 443.345 4.879 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(F)CCC2)C1 1740973090 RBCIIVFQWFFIAB-YLJYHZDGSA-N 432.515 4.621 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CC(F)(F)C1 1748552094 FBTNUMIHVOOVIZ-HXUWFJFHSA-N 435.906 4.782 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCOC[C@@H]1C 1748647596 QNJJKOBRXJGGQS-ABSDTBQOSA-N 435.597 4.508 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1cc(C(F)(F)F)ccn1 1748655455 YOINTROHSPUHKA-CQSZACIVSA-N 433.865 4.713 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1748703778 ZNGXGHHDJYJSAJ-QHCPKHFHSA-N 449.643 4.706 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(CC#N)CC1 1748736686 QWLIBPIIOWZTDW-UHFFFAOYSA-N 426.568 4.896 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)Oc1cccc(C)c1 1748775361 JWEVKYFQRNKWOC-RTBURBONSA-N 434.609 4.977 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1748855766 KJYZNRSNBLNKRQ-PMACEKPBSA-N 444.501 4.840 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC1(COC)CCC1 1749055860 PRNOBEPMWBQSKH-OAQYLSRUSA-N 443.389 4.516 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)SC 1749148822 HOBRCJHKQGLIKQ-AWEZNQCLSA-N 439.423 4.870 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1749445445 ONWLWUINQXHAPB-DLBZAZTESA-N 448.409 4.645 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1ncc(CC)s1 1749465812 IWOOCDIDFAGHRP-SFHVURJKSA-N 425.602 4.919 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCC1 1749560992 YAWHQNXRWAXXHO-GOSISDBHSA-N 430.980 4.945 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC=C(Br)C1 1760141498 WYZULLIDMCLFOK-UHFFFAOYSA-N 443.389 4.766 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CSCCS1 1760291521 RWCOTUPYZZERSO-FOIQADDNSA-N 437.009 4.578 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)C/C(C)=C\c1ccccc1 1760317941 BGJRIQJTFVRQOO-VRIAFQMGSA-N 429.568 4.861 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1nnc(CC)s1 1760330697 BRKAZCHDIBNIIK-UHFFFAOYSA-N 447.406 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)CC1 1760408976 VOVQZLUWCGZDGW-UHFFFAOYSA-N 444.645 4.541 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCC[C@H]1C 1760419524 UPOZUUFBTUIHSF-QTDDQOEGSA-N 432.653 4.930 30 10 IJEE C=CCCCCn1c(N2CC[C@H](c3cccc(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760430314 FYOVAIKLLNJADB-OZXSUGGESA-N 438.616 4.977 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCC[C@H](C)C1)C1CC1 1760471918 NUHSRRDVWGGAQO-SFHVURJKSA-N 429.012 4.660 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCS1 1760501110 HGWOIMFFXUNZDL-GOSISDBHSA-N 444.551 4.871 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCS[C@H](C(C)C)C1 1760512461 JZUFCZFPYCYHJG-KRWDZBQOSA-N 427.401 4.928 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(Cc2ccccc2C)CC1 1760567542 FEXQKYIVPOQPCC-UHFFFAOYSA-N 439.673 4.561 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCSC[C@@H]2C)on1 1762176625 FBLHQEWFGHLHAE-INIZCTEOSA-N 436.585 4.698 30 10 IJEE CCc1nc(C)c([C@H](C)N(C)c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)s1 1764602328 BINASTWMZSBKDL-QOKNQOGYSA-N 436.585 4.834 30 10 IJEE CCCCCCCOc1cccnc1NC(=O)N1CCN(c2ccccc2OC)CC1 1858820850 JCRUICNUYRGXQC-UHFFFAOYSA-N 426.561 4.794 30 10 IJEE CCCCc1ccc(NC(=O)COc2cccnc2NC(=O)Nc2ccccc2C#N)cc1 1858828238 BUIMZJLWRBNZJA-UHFFFAOYSA-N 443.507 4.957 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)Cc2ccc3c(c2)CCCC3)nc2c(C)cccc12 1859657109 RUNPBKBIAWHFKV-UHFFFAOYSA-N 435.531 4.969 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860953803 UCUWNZVCVKHFHH-QGZVFWFLSA-N 436.556 4.531 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 1861061864 VLVVSQBTHCUUQY-HSZRJFAPSA-N 426.557 4.652 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1C(=O)O 1862380744 KFDCPFBZLDTBKE-GOSISDBHSA-N 448.302 4.926 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(Cl)c2)cc1 1862392166 QVJCELKIITYPPY-NRFANRHFSA-N 427.928 4.907 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C(C)C)c1 1862461370 DDFLVJDHCRGKHE-FQEVSTJZSA-N 433.426 4.879 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1862480173 ZPVMVPJGMIVTHQ-QHCPKHFHSA-N 434.580 4.823 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1cccc(OC)c1 1862548114 KTACHFUTGLPPGP-DEOSSOPVSA-N 449.547 4.579 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1862579775 UKLOQBNMZYJWPB-SFHVURJKSA-N 436.291 4.609 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2cccc(O)c2)cc1F 1862638808 KPWGQSXDYCCOOO-NPMXOYFQSA-N 447.462 4.879 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc(F)cc2F)cc1F 1862640923 MVMCHSZLNSEKPI-HXUWFJFHSA-N 433.426 4.737 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 1862684196 ZTKLHFMZPTZJHX-HKUYNNGSSA-N 449.400 4.602 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 1862746211 AWGYTVUDYMWIIO-QFIPXVFZSA-N 448.475 4.769 30 10 IJEE CN(C)c1cccc(NC2=C(c3ccccc3Cl)C(=O)N(c3ccccc3C#N)C2=O)c1 1863082877 DLXNLDLNPYWINB-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE Cc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1863276835 CSMOWPBWOYBJJN-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2Cl)cc1 1867404375 GSANDHSRJUCFTH-DHIUTWEWSA-N 449.913 4.510 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)nc(-c2cccnc2)n1 1869371105 DRYGEXHMTGOQIT-QFIPXVFZSA-N 447.970 4.948 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 1870159510 OKEUZXVEORZRGT-HUUCEWRRSA-N 431.805 4.553 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCC(C)C)cn1C[C@@H](c1ccccc1)N1CCCC1 1870436980 JRRQJMNBUVZBMV-SANMLTNESA-N 449.639 4.894 30 10 IJEE C#CCOc1cn(Cc2cccnc2)c(CNc2ccc(-c3ccccc3C)cc2)cc1=O 1871005402 FDDCEISEIWIUFX-UHFFFAOYSA-N 435.527 4.891 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(CCCCCO)CO4)C2=O)c2ccccc21 1871351881 FLJRHQWCPTXUFK-OYKKKHCWSA-N 432.520 4.592 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871371149 PLZQOHHIALHLPQ-JAIQZWGSSA-N 446.371 4.647 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871410768 BRBBHXWUWHZZLP-YSUUHWHMSA-N 433.460 4.927 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1871910317 IVMBMXMZZHRMBW-ZHRRBRCNSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1cccs1 1871984085 MQWGWYSFUPAANL-HXUWFJFHSA-N 434.627 4.985 30 10 IJEE COc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c(OC)c1 1872785976 YDURSAXIYQBHSO-INIZCTEOSA-N 442.924 4.908 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)cc1OCc1cccc(Cl)c1 1873504966 UVSKAVSNTRBMHV-KCDOPAPYSA-N 444.944 4.542 30 10 IJEE C=CCn1c(C(=O)Nc2cc(NC(C)=O)ccc2C)cc2c(N3CCCCCC3)ncnc21 1873655690 RBYWGTHLZVSBEH-UHFFFAOYSA-N 446.555 4.517 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1/N=C/c1ccc(OC)cc1OC 1874263021 CZHIFMCVXQIIAK-WSDLNYQXSA-N 432.933 4.522 30 10 IJEE Oc1cccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2ccccc2)c1 1874347458 PASDERLGZVDTBW-KOEQRZSOSA-N 430.533 4.780 30 10 IJEE CCCSc1nnc(-c2ccccc2Cl)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874367771 NMVZBGBPJUBOJY-WSDLNYQXSA-N 432.933 4.706 30 10 IJEE CCCSc1nnc(Cc2cccs2)n1/N=C/c1cc(Br)ccc1O 1874413874 PRRRXTQYVOBAFZ-YBFXNURJSA-N 437.388 4.783 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2[C@@H]2CCCO2)cc1 1874447167 URYUSPREMWCADV-LEEXQRRLSA-N 449.580 4.668 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccs2)cc1C 1874464438 JWPJQTDUHQFSQZ-WSDLNYQXSA-N 437.550 4.829 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccc(F)cc3)nnc2C2CC2)cc(Cl)c1O 1874517904 QAYIKVHJBCJAHE-AUEPDCJTSA-N 432.908 4.837 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2CC(C)(C)C)cc(OC)c1OCc1ccccc1 1874560178 KAFLGXWGOSUEOP-ZVHZXABRSA-N 440.569 4.634 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC(=O)Nc3ccccc3)c2)c(OC)c1 1874598794 FJIAWFRYFQVPEQ-UKTHLTGXSA-N 447.487 4.626 30 10 IJEE C[C@H](NC(=O)COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 1874610826 NMCFCYQSJJNUIS-WBNHJWIASA-N 430.460 4.747 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 1874611447 KCXRCWDXGHEXIG-RMKNXTFCSA-N 437.870 4.770 30 10 IJEE Cc1cccc(C)c1OCC(=O)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 1875149755 GIEGUHGQWINEQI-XYOKQWHBSA-N 430.456 4.913 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC(=O)c1cnccn1 1875163219 ANPUKZHUUGKHKP-VMPITWQZSA-N 436.414 4.607 30 10 IJEE N#CC1(c2ccc(C(=O)N[C@H]3CCc4nc5ncc(-c6cccnc6)cc5cc4C3)cc2)CC1 1890877080 IWYZNDBWYFLBGH-DEOSSOPVSA-N 445.526 4.534 30 10 IJEE CC1(C)C[C@@H](N(Cc2ccccc2)Cc2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)CO1 1915606475 LQMMZDVSQZDODT-OAQYLSRUSA-N 439.380 4.695 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 1991580959 IEJJJOISYFDKNI-RTBURBONSA-N 425.614 4.521 30 10 IJEE COc1ccc([C@H](n2nc(C3CC3)c(C#N)c2I)C2(C)CC2)cc1 2080030038 HYRRXXYXIVPMHC-KRWDZBQOSA-N 433.293 4.635 30 10 IJEE CSc1ccc([C@@H](n2nc(C)c(C=NO)c2I)C2(C)CC2)cc1 2080101418 FVKSMSVCMZUBOF-OAHLLOKOSA-N 441.338 4.716 30 10 IJEE C=CCN(CC[C@H](NCC)c1nc(CCC)[nH]c1Br)C(=O)OC(C)(C)C 2099293895 YWVMBCIFXAVHIU-AWEZNQCLSA-N 429.403 4.589 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)ccc(Br)c1F)NCC 2145543792 JURVNYPTCBKJMP-DLBZAZTESA-N 445.348 4.555 30 10 IJEE Cc1cc(F)c(F)cc1Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172630934 VPGPWOQDLRJFDT-UHFFFAOYSA-N 426.066 4.522 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2F)[C@H](C(C)(C)C)C1 2174770428 WEMKOWSPMMWXSM-HNNXBMFYSA-N 440.357 4.932 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC12CCC2 2174812000 FTPQSPCKOHIUGQ-CQSZACIVSA-N 438.341 4.591 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1cc(Br)ccc1C#N)c1ccccc1 2181144759 XSDKOTSPAUDQKE-UHFFFAOYSA-N 430.302 4.701 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(Nc3cc(Br)c(C#N)cc3F)CCC[C@@]2(F)C1 2182455101 QCBJJXWPIXOXOT-MOPGFXCFSA-N 442.304 4.753 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](N)C#Cc2ccccc2Br)cs1 2227493303 MPHXTGROSNQNEI-WFASDCNBSA-N 436.375 4.543 30 10 IJEE O=C(C#Cc1cccc(Cl)c1)c1cc(Br)ccc1I 2231010114 AAMPUYQZLMBAAD-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C 2235730470 VGRYTFDCXQCQHP-RDJZCZTQSA-N 445.348 4.669 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)CC1(CNC(=O)OC(C)(C)C)CCCC1 2235732247 YTHWYYDZZOUBDZ-GOSISDBHSA-N 435.406 4.864 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)CC1CC(CNC(=O)OC(C)(C)C)C1 2235735154 SSRMGLTYKPXPJY-FAFZWHIHSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)NC12CCC([C@H](O)C#Cc3ccccc3Br)(CC1)CC2 2235739773 KBJOHNOESQCQBT-OSFYOIPJSA-N 434.374 4.779 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1c(F)ccc(Br)c1F 2239748607 CWOKLPBVAZYLTK-RTWAWAEBSA-N 440.328 4.902 30 10 IJEE Cc1ccnc(C(=O)N(Cc2ccccc2)CC2CCCC2)c1B1OC(C)(C)C(C)(C)O1 2267506765 CYXVMHGEIURQIW-UHFFFAOYSA-N 434.389 4.522 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2C#N)C[C@H]1CC(F)(F)F 2285168049 APPWQITXWSGPGC-CYBMUJFWSA-N 448.283 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@]2(N)C#Cc2ccc(Br)cc2)C1 2296227276 NILTULXJBYYSIT-YADHBBJMSA-N 433.390 4.699 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@H](O)C#Cc2ccc(Br)cc2)CC1 2296268717 IENHBUCFMOKIMX-AFMYVXGZSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](O)C#Cc3ccc(Br)cc3)CCC[C@@H]12 2296276655 KIQCSPIPPQXYJL-XQBPLPMBSA-N 434.374 4.731 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2296287057 RYAYPRHBNNELBJ-UZLBHIALSA-N 435.406 4.672 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2296288008 BKFUVKGRRDCVPW-FQEVSTJZSA-N 429.358 4.786 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@](C)(NC(=O)OC(C)(C)C)C1CCC1 2296303548 XOHIUSBJNHENOW-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 2306520896 HWIZXSSLEDVUPB-RUZDIDTESA-N 428.573 4.842 30 10 IJEE COC(=O)c1ccc(C=Nn2c(SCc3ccccc3Cl)nnc2C2CC2)cc1 2320858339 MNOYMSNEZPFMNM-UHFFFAOYSA-N 426.929 4.770 30 10 IJEE CC(C)[C@H]1C[C@](N)(C#Cc2cccc(Br)c2)CN1C(=O)OCc1ccccc1 2321505005 OIYGYVFRVGKFNV-FYYLOGMGSA-N 441.369 4.565 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CC23CC4CC(CC(C4)C2)C3)ccc1OC 2322183828 ZBXBVZOFMFVRFR-UHFFFAOYSA-N 426.586 4.615 30 10 IJEE CCOc1cc(C=Nn2c(S)nnc2CCc2cccc3ccccc23)ccc1OC 2322203236 WSJVNDSDXNTMJN-UHFFFAOYSA-N 432.549 4.795 30 10 IJEE O=C(COc1ccccc1C=CC(=O)c1ccc(Br)cc1)NCc1ccco1 2322416516 RYUAVSSTCGDMIE-UHFFFAOYSA-N 440.293 4.633 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(C[C@@H]1COc3ccccc3O1)CO2 2322436851 QXZSQNXYSWIFDN-QGZVFWFLSA-N 447.512 4.665 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC 2323438025 HGFUCTQRCVMYSC-IBGZPJMESA-N 445.515 4.856 30 10 IJEE COc1cc(C=C2Oc3c(ccc(OC(=O)CC(C)C)c3C)C2=O)cc(OC)c1OC 2323766650 BFQVETVHPBHBPL-UHFFFAOYSA-N 426.465 4.589 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1 2324574661 KPAGNYMYWKVSFU-LJQANCHMSA-N 432.501 4.803 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)cc1 2325423974 VJGZBDNQNWHPSY-INIZCTEOSA-N 442.471 4.667 30 10 IJEE CCCc1nnc(SCc2cc(C)ccc2C)n1N=Cc1cc(OC)c(O)c(OC)c1 2325554612 WZOCSDJEVNLGPW-UHFFFAOYSA-N 440.569 4.745 30 10 IJEE CCOc1cc(C=CC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 2325631687 ICJAWKXHYBKFJS-UHFFFAOYSA-N 431.488 4.894 30 10 IJEE O=C(C=Cc1ccc(Br)cc1F)C(=O)Nc1ccc(Br)cc1 2325702537 HGFZCXRKSUNHSI-UHFFFAOYSA-N 427.067 4.572 30 10 IJEE COc1cc(C=CC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 2325717172 HOWVXDXRYAINMQ-PVSGBFIBSA-N 433.548 4.797 30 10 IJEE CCSc1nnc(COc2ccc(Cl)c(C)c2)n1N=Cc1ccc(N(C)C)cc1 2326514844 VBHZYWNJLUHZDQ-UHFFFAOYSA-N 429.977 4.879 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCO)n2N=Cc2ccc(C(C)C)cc2)c1 2327045191 FGWMIPQWHGHLPL-UHFFFAOYSA-N 438.597 4.688 30 10 IJEE CC(C)(C)N1C[C@H](c2nnc(SCc3ccccc3)n2N=Cc2ccccc2)CC1=O 2327863633 OKLOMPRDXSZCOW-HXUWFJFHSA-N 433.581 4.567 30 10 IJEE Fc1ccc(CSc2nnc(CCOc3ccccc3)n2N=Cc2ccncc2)cc1 2329159148 LCIOEYHJDNBVBV-UHFFFAOYSA-N 433.512 4.608 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1C 2330854626 SFYWSRMSCPGNMM-HXUWFJFHSA-N 430.884 4.646 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2[C@H]2CCCO2)c1 2330888945 CQUAJGHAOSIXNH-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)c(F)c1 2331048429 DRSMTEYSVWKICY-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)(C)C)n2N=Cc2c[nH]c3ccccc23)c1 2331376687 HYLRVJALVAIVQX-UHFFFAOYSA-N 446.580 4.978 30 10 IJEE CCCCCOc1ccc(C=Nn2c(CCC)nnc2SCC(=O)OCC(C)C)cc1 2331661645 VIFMJUIZSWWGLM-UHFFFAOYSA-N 446.617 4.973 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)C(=Cc1ccccc1)c1ccccc1 2332148816 JRDMRFWIEGHWRC-UHFFFAOYSA-N 433.515 4.994 30 10 IJEE CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC[C@]34CCC(=O)O4)[C@@H]21 2333283930 WUVPAYPBMZMHJO-YHPJYBRLSA-N 428.569 4.772 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C(=O)C#Cc2ccccc2Br)C[C@@H]2CCCC[C@@H]21 2359730519 PYQMBHDHRQUZMQ-HOIFWPIMSA-N 432.358 4.843 30 10 IJEE CC1(C)OB(C=Cc2ccc(N3C[C@H]4CCN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2365109678 ZTHCMDACKZHOGF-RPWUZVMVSA-N 445.416 4.685 30 10 IJEE Cc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)C[C@@H](C(C)(C)C)CC4)C2=O)cc1 9782872 JIRQRVYPWDZGMF-GHTZIAJQSA-N 433.577 4.837 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N1C 12462231 ZYHJZIKYGOYRQE-YQMDHOPXSA-N 431.945 4.556 30 10 IJEE Cc1c(F)cccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 20905308 FAHFCMNPBYDVGU-WYMPLXKRSA-N 434.500 4.582 30 10 IJEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 24506329 SKDGIVPKPONDMT-UHFFFAOYSA-N 435.808 4.774 30 10 IJEE N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4c(F)cccc4F)cc3)C2=O)c1 34734344 WGGORSIAJIMIQX-UHFFFAOYSA-N 446.457 4.921 30 10 IJEE CCCCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(CC)c2O)cc1Cl 38616264 QBPRQOVFQOQGFQ-UHFFFAOYSA-N 437.323 4.861 30 10 IJEE C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ncccn2)c1 39838373 QALRKLBUOPZIQR-HXUWFJFHSA-N 445.862 4.551 30 10 IJEE C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1OCC 39908876 KYNQATVRZZUZKY-FQEVSTJZSA-N 425.868 4.585 30 10 IJEE CCCCOc1ccc(C(=O)/N=C(\NCc2ccncc2)Nc2ccc(OC)cc2)cc1 45940667 AMUKPDOEPAWTBM-UHFFFAOYSA-N 432.524 4.667 30 10 IJEE C=CCSc1nnc(-c2ccc(NC(=O)c3ccccc3Br)cc2)n1C 59856047 KNRIVAXISUBOIF-UHFFFAOYSA-N 429.343 4.775 30 10 IJEE CC(C)(C)OC(=O)N1CCC(COc2nc3ccccc3n2Cc2ccc(C#N)cc2)CC1 95084098 ATKXRBLZFLMVMB-UHFFFAOYSA-N 446.551 4.982 30 10 IJEE CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 102536356 LHZKGAQBJXYDDG-AGGMBTAESA-N 436.439 4.537 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 106103202 ZWSKZOFYPVQHDV-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 169953757 UQNBQZOSICDWCE-HSZRJFAPSA-N 430.479 4.983 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@@H]1c1ccc(O)cc1 169958751 OFVHJQIBBFMVBC-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)cc1 169968010 WSULPNBASUQHTA-HSZRJFAPSA-N 427.456 4.815 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cc(C)ccc2O)c1 169970989 KRTDZYBBUPGAHM-HSZRJFAPSA-N 443.455 4.521 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccc(C)c2)cc1 169972139 OOWDDZGYCWQMED-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccs1)c1ccc2c(c1)OCO2 169985883 GQQDKBGSZAENPB-LJQANCHMSA-N 439.876 4.913 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccn2)c1 169990794 YNSPNTXTXCDSKQ-HSZRJFAPSA-N 444.487 4.580 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccn2)cc1 169995094 VIQUSVNTZCHCRY-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccn2)s1 169999277 VFZRFSJEHCPBMJ-QGZVFWFLSA-N 448.529 4.548 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 170055297 MIICKBWGEBQRQQ-QHCPKHFHSA-N 431.463 4.655 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccccc1F 170072214 OXEKNJNRYJOIDA-HSZRJFAPSA-N 425.500 4.538 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2OC)[C@H]1c1ccccc1OC 170124862 LTGWKGWNXZRAHQ-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 170237490 VCZXVYGOPCWGNH-RCDICMHDSA-N 449.503 4.989 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccccc3F)ccc2O1 170247026 BZQOXJLDAVFOBX-PEBXRYMYSA-N 449.503 4.989 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(CC)cc2)c1 170265043 FQUWFYCZKLZQJM-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@H]1c1ccc(OC)c(O)c1 170321857 JNERNHIMTXZISX-JOCHJYFZSA-N 439.508 4.566 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccn1)c1cccs1 170416653 JJXWGJLGEXTXQZ-SFHVURJKSA-N 444.434 4.940 30 10 IJEE COc1ccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)cc1 170428451 LDPCJQNIJIQFDO-DEOSSOPVSA-N 437.536 4.993 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1 170457000 OSKSVYKEFFZEFZ-HSZRJFAPSA-N 428.488 4.995 30 10 IJEE COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]2CCCC[C@H]21 250394774 GQYGTAFSWQBURW-RVHYNSKXSA-N 437.927 4.632 30 10 IJEE CC1(C)OB(c2ccc(Cl)cc2NC(=O)c2cccn2Cc2ccccc2)OC1(C)C 405026462 JNXDJWJTCUFQBU-UHFFFAOYSA-N 436.748 4.741 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 440827446 QIZCDQJENFMQHQ-WMLDXEAASA-N 447.329 4.691 30 10 IJEE CCOc1cccc2cc([C@H](C)NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)oc12 446568157 BEOHJDQQQOTAAT-DZIBYMRMSA-N 448.523 4.849 30 10 IJEE C=CCNC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)nc1 524230986 XECDXKDRRASZED-UWJYYQICSA-N 432.490 4.511 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2O)ccc1OC 526708252 MNIOGFITADGZGD-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1cc(/C=N\n2cnnc2SCc2cccc3ccccc23)cc([N+](=O)[O-])c1OC 526820508 SRLOSKIRZSTDBA-MSXFZWOLSA-N 449.492 4.531 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 548948322 KMDVJFKHEPFARX-QFIPXVFZSA-N 443.551 4.608 30 10 IJEE N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](CN4CCCCCC4)C3)cn2)c1 609137321 LSLGKGNHCCIIAT-OAQYLSRUSA-N 433.556 4.865 30 10 IJEE C=CCN(C[C@@H](Cc1ccc(Br)c(F)c1)NCCC)C(=O)OC(C)(C)C 721959888 GVRLFVBAMLJHMX-MRXNPFEDSA-N 429.374 4.922 30 10 IJEE Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 744494054 CBRDVCFOEXGCOR-LTIDEOFWSA-N 443.931 4.780 30 10 IJEE Cc1ccnc(C2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC2)n1 775541277 YNPRAGMYGQSNJH-UHFFFAOYSA-N 441.535 4.842 30 10 IJEE Cc1csc([C@@H](C#N)C(=O)COC(=O)c2csc(-c3cccc4ccccc34)n2)n1 778190895 HCVWBCQHBKFKKE-KRWDZBQOSA-N 433.514 4.762 30 10 IJEE C=CCOc1c(Br)cc(/C=C2\CCc3cc(C#N)cnc3C2=O)cc1OC 788363066 OVNVNUOOYYBDRT-FRKPEAEDSA-N 425.282 4.502 30 10 IJEE COc1ccc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1C#N 790782079 JXNTVEVYYKKKPR-NRFANRHFSA-N 447.457 4.553 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809891508 TYBJAJLPTPBGFS-CUNXSJBXSA-N 446.595 4.751 30 10 IJEE C=CCn1c(Sc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 931415277 XXVRXSSJBZUCHT-PKNBQFBNSA-N 436.493 4.685 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(NC(=O)OCC)cc1Cl 1124534772 QJFMZTPLELAMHX-UHFFFAOYSA-N 447.871 4.651 30 10 IJEE C#CCSCC(=O)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 1124685507 ZVUQPZNRBZLPDW-MRXNPFEDSA-N 440.512 4.707 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC2=CCCCC2)c1 1129452048 HTYGZKDCIDWXOE-UHFFFAOYSA-N 444.984 4.952 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(I)cc1Cl)c1ccc(Cl)cc1F 1129735219 IRHYGZBTHAPYKX-OAHLLOKOSA-N 448.062 4.841 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CONC(=O)OC(C)(C)C)c1ccc(C)c(C)c1 1144711538 NMYNNAMWNIXDIL-UHFFFAOYSA-N 440.540 4.858 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 1147254612 HVHBYQLWJHAJTK-UHFFFAOYSA-N 431.348 4.884 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 1159779157 QOPCRIZVTKISPE-FCHUYYIVSA-N 438.955 4.728 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(C(=O)OC(C)(C)C)c1 1168833937 ZABFGDRRWRJXRH-KRWDZBQOSA-N 434.533 4.536 30 10 IJEE C=CCCCCC[C@@H](C)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1181360600 HPSNIYJUPXTYFS-IEBWSBKVSA-N 443.451 4.717 30 10 IJEE CC(C)c1sc(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)nc1-c1ccccc1 1196790442 UKVYJDDSLKKXLL-RUZDIDTESA-N 445.592 4.824 30 10 IJEE COc1cc(OC)c(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1Br 1203696843 BJQMAEINJJXWIC-INIZCTEOSA-N 430.302 4.537 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@](O)(c3ccccc3)C2)cc1 1214805112 ALSVWIKJOAZXFD-HHHXNRCGSA-N 441.531 4.847 30 10 IJEE CN1CC[C@@]2(CCN(C(=O)Nc3ccc(Sc4ccc(Cl)cc4C#N)cc3)C2)C1 1219156625 BGWUOMMYLFJZDQ-JOCHJYFZSA-N 426.973 4.922 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H](Cc2ccc(Cl)cc2Cl)C(C)C)n1 1227545801 VJMDYSMFWXLJJI-GOSISDBHSA-N 435.399 4.870 30 10 IJEE CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCN(c2ccccc2C#N)CC1 1253866611 BZTORJMDYXMQIO-UHFFFAOYSA-N 430.474 4.778 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C(=O)NCCC)cc1OC 1264671423 CAKGLNBNPPAMBN-YRNVUSSQSA-N 428.916 4.705 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)cc1 1269744848 IXZIOXWWQJMZCC-OAQYLSRUSA-N 434.536 4.695 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1CCN(c2ccncc2)CC1 1286279895 YDKNIUOEWUIDDB-BWKNWUBXSA-N 442.611 4.590 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H](OCC)C(C)C 1286363479 SITAHKIUIGNSCF-DEOSSOPVSA-N 433.600 4.873 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1C[C@H](C)CN1CCCCC1 1286456536 RNCGKKLRUVYGPK-OAQYLSRUSA-N 437.607 4.837 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1cc(Br)cs1 1286547267 NSUCSYORYNRNHU-YOEHRIQHSA-N 439.423 4.843 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCC(C)CC1 1286567969 XEZRVOJYNFWNLG-QYUHBMBHSA-N 429.634 4.630 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](OC)C1)c1ccccc1 1286619295 QIDQRYGRACUBFY-TWHAJKEOSA-N 438.616 4.771 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cc(C)cc(C)c1 1286729095 NSYKFSQTBUGYCQ-NRFANRHFSA-N 439.604 4.832 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN1CC 1286748184 SHQMVPHWSBFSPE-IBGZPJMESA-N 437.613 4.692 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286749278 OJJXDTWYPVXLNO-MRXNPFEDSA-N 439.551 4.684 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCCOCC1)C(C)C 1286751268 OLRDEGYNUXOTKN-QFIPXVFZSA-N 444.023 4.524 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1Cc1csc(CC)n1 1286760740 PNLHAJRJDSGGOI-UHFFFAOYSA-N 430.581 4.642 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCO[C@H]2c2ccc(C)cc2)C1 1286800937 TXWDFVPQUGCUJI-ZLNRFVROSA-N 438.616 4.833 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)c2c(C)noc2C)cc1 1289860644 FVFXFHOOHLPOMC-IAGOWNOFSA-N 438.601 4.883 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3ccc(OCC(F)(F)F)cc3)n[nH]2)c1C 1292029353 VMQPROHKPUGBLE-CYBMUJFWSA-N 447.461 4.508 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(CCOC)CCCC1 1300324976 PZXLAZHDLOKICD-HXUWFJFHSA-N 426.630 4.934 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCSC 1300606806 VPRNROWLOQBIKZ-UHFFFAOYSA-N 441.826 4.964 30 10 IJEE C#CCSCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](CC)c1ccccc1 1300778372 UDMAMJLPOLASMO-OALUTQOASA-N 442.539 4.707 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccc(F)cc1 1300778480 XBQYSAOZBKFCOX-NHCUHLMSSA-N 444.620 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCSC1 1300789079 XBLMHQXKDAPFLX-IIBYNOLFSA-N 445.430 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C)SC 1300789606 QXBIARVAALUISH-FOIQADDNSA-N 433.419 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1OC(C)C 1300918819 JTHBUFZQCSACML-UHFFFAOYSA-N 425.602 4.872 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(O)CCCC1 1300924574 DIKRWGQCNFPODQ-UHFFFAOYSA-N 439.387 4.871 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1[C@H]1C[C@H](c2ccccc2F)C1 1300925838 GJQXKNANKAYQFC-OZIGNCPNSA-N 428.552 4.662 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@@H]1C 1300972461 MCPGFHJIBMSTKJ-RBUKOAKNSA-N 448.995 4.506 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2SC)CC1 1301089431 TZKVXCFHXJRTSD-UHFFFAOYSA-N 425.627 4.869 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1301135728 PMOVYPYOANIZMM-OHUMZHCVSA-N 443.680 4.720 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ccco1)C1CC1 1301320973 SQHWYETVVBGNRZ-UHFFFAOYSA-N 429.318 4.512 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1CCc1nnc2n1CCCCC2 1301358061 WQDXGTRSNPUGRD-GOSISDBHSA-N 439.633 4.606 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1301468704 LRFUBDLBVGTBMC-PKTZIBPZSA-N 437.632 4.751 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](CCC)C2)cc1 1301527633 ZLPIQKJSMOUNIC-JOCHJYFZSA-N 438.597 4.549 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(CC)CCOCC2)C1 1301537420 AKBSVSFRJDMLTA-XZOQPEGZSA-N 438.616 4.808 30 10 IJEE C#Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)c(Cl)c1 1308538485 LXJGSUGFJSIXQT-UHFFFAOYSA-N 439.770 4.951 30 10 IJEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 1309106489 DGJJZBQPGOOUFM-OAQYLSRUSA-N 441.350 4.697 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1)C(C)C 1311389254 XNLGJQMGXZSMSI-WIOPSUGQSA-N 435.616 4.664 30 10 IJEE CN(CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)OCc1ccccc1 1355135407 HUZNMYIYMPNDFC-UHFFFAOYSA-N 443.503 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(CC)CC 1358871925 LZPPYUONQGUJPR-UFYCRDLUSA-N 446.039 4.877 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCc1ccc(Br)s1 1358892709 FQTHXAMLEXBDHH-CQSZACIVSA-N 447.377 4.533 30 10 IJEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1358916714 USICDLGKMLQZEY-OAQYLSRUSA-N 428.527 4.841 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](C)[C@H]1C 1359132479 YNBJTUMQACVAAO-QZTJIDSGSA-N 439.585 4.523 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCc2c(OC)cc(OC)cc2OC)CC1 1359178887 FSWSTRVCVNIFPX-UHFFFAOYSA-N 442.604 4.538 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359184859 CUGFSLHREUOHSX-UHFFFAOYSA-N 442.007 4.696 30 10 IJEE C=CCCCCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCSC2)C1 1359206593 JSNPNGXQJATEGN-QHCPKHFHSA-N 428.602 4.555 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359210753 GMTBPMKGDZNXGL-BTYIYWSLSA-N 437.371 4.602 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1Cc1nc(C(C)(C)C)cs1 1359258925 HJIPCFCJSXUZQN-UHFFFAOYSA-N 425.602 4.810 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)C(C)C 1359266082 SCPBWRZJPBXYPO-VJBWXMMDSA-N 443.680 4.571 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SCC)C1 1359339421 FGBRHFUCOIYPGG-FQEVSTJZSA-N 427.643 4.848 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1435089164 WZYCKYPDCKACPF-DTQAZKPQSA-N 430.426 4.930 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CCCC1 1437628977 VYGDRGNPXIMTKY-WOJBJXKFSA-N 432.630 4.610 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 1438570590 DGGOVTDTBJZUTF-UHFFFAOYSA-N 447.379 4.752 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 1449532905 OTTPNHDBWIGNHO-SFHVURJKSA-N 426.479 4.881 30 10 IJEE C#CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CCCCC1 1456184593 LPBQVWJDLMQWRR-UHFFFAOYSA-N 448.947 4.736 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1OC 1461494260 QDQOSYWNCANZCV-UHFFFAOYSA-N 438.977 4.602 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CSc3ccccc3O2)cc1OC 1461605538 HCMHCZMDIUBMGI-OAHLLOKOSA-N 436.371 4.665 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)ccc1C(F)(F)F 1463899643 HHLOKCZFOSFELY-BBRMVZONSA-N 428.863 4.845 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C 1465085622 CGLUOHDLFSQFTL-QFBILLFUSA-N 440.569 4.550 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 1469207784 YQNMDRVUPGBPGX-QFIPXVFZSA-N 440.979 4.691 30 10 IJEE C=CCn1c(SCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)nc2ccccc2c1=O 1472923913 LVOAUTHUZWTUNW-UHFFFAOYSA-N 444.347 4.762 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCOc2cc(Br)ccc21 1473620788 AYXGOYMKTGTIIL-CQSZACIVSA-N 446.370 4.538 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1ccc(CC)cc1 1474918566 GIYDYKABFUDXJX-UHFFFAOYSA-N 426.351 4.669 30 10 IJEE Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)c1cc(C#N)ccc1Cl 1474943683 DFWYVYUXAXBKBP-LBPRGKRZSA-N 435.933 4.822 30 10 IJEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(Sc4ccc(F)cc4)cc3)C2)nc1 1478295931 CXOVOYGRPMESEZ-FQEVSTJZSA-N 448.523 4.606 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1 1478480053 ZVLXPGQZXZPICE-XZOQPEGZSA-N 448.954 4.515 30 10 IJEE CC(C)c1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C)C2)cs1 1494252067 FQSPYRSKPUZDTK-MRXNPFEDSA-N 438.626 4.581 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCCCC1 1507564796 WXQVCGVJVFEJJY-UHFFFAOYSA-N 429.609 4.577 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OCC 1507641615 BJKSOHWPSSDLGE-LJQANCHMSA-N 442.991 4.576 30 10 IJEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1CC1CCC(C(F)(F)F)CC1 1507694358 LSLDLYCZLHGHKM-UHFFFAOYSA-N 434.506 4.728 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)N(C)C 1507813882 CTQRPBGMZPTDCY-CQSZACIVSA-N 440.817 4.714 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1507828414 CPDCPEVJYWUMLN-KRWDZBQOSA-N 446.477 4.587 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1507860905 XQGDULAJUAEGOS-KRWDZBQOSA-N 448.995 4.889 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1507935901 WDOGVWXYDWSBOQ-KNQAVFIVSA-N 440.588 4.931 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H](C)c1nccs1 1507997662 CVUIRAHCXMRMCR-QGZVFWFLSA-N 434.569 4.735 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)C)n1Cc1nc2cc(OC)ccc2n1C 1508006228 NENCFESBTYWUOA-UHFFFAOYSA-N 436.585 4.599 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1508009371 ZZJXXJPCUKFOEZ-SBHAEUEKSA-N 444.645 4.877 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC=CCC2)C1 1508113528 ZACZFCLUAXHDSQ-MSOLQXFVSA-N 443.389 4.845 30 10 IJEE C=CCC1(CNC(=O)c2ccc(Br)cc2I)CCCC1 1521316665 SRPSEEYNOVLUTK-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE C#CC[C@]1(C(=O)Oc2ccc(Br)c(Cl)c2)CCCN1C(=O)OC(C)(C)C 1525127813 XDPAASMJAITSHC-LJQANCHMSA-N 442.737 4.801 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Br)cc1Br 1526657790 CIMGDIHBTPSFIN-UHFFFAOYSA-N 444.510 4.754 30 10 IJEE C=CCN(C(=O)COc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)OCC 1529014654 LWKACSTWCNGLLB-LJQANCHMSA-N 436.335 4.561 30 10 IJEE C#CCOc1ccc(C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)cc1 1530039788 KELMBPNWPPMEAC-UHFFFAOYSA-N 439.284 4.842 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 1532921417 WHFSSJDYLDOUGC-UHFFFAOYSA-N 437.352 4.830 30 10 IJEE CC(C)n1nnnc1-c1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 1533816747 CHAQZAXBCQOYQS-UHFFFAOYSA-N 438.491 4.624 30 10 IJEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1 1534343967 KYQWUKLUQFVHBK-PZJWPPBQSA-N 442.506 4.964 30 10 IJEE C=CCC[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(C(F)(F)F)cc1 1534432795 DKQAUVZXWJKYMK-VXKWHMMOSA-N 432.486 4.730 30 10 IJEE Cc1cc(C(F)(F)F)cc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1537312153 BLCDHFTWFWZSNN-CQSZACIVSA-N 435.833 4.839 30 10 IJEE CCc1cc(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c2c(CC(C)(C)C)noc2n1 1538349700 BNOWWCLFNPNYRJ-GOSISDBHSA-N 434.540 4.985 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCc1ccc(C)cc1 1538984780 PVTFHQZUTAEDOG-HNNXBMFYSA-N 429.387 4.778 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1539079635 XWUMBCBFYLBFRF-UHFFFAOYSA-N 446.599 4.506 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC([C@@H]2CCOC2)CC1 1539102469 FYRHBZFKGFBKGN-QGZVFWFLSA-N 433.383 4.918 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](SC)C(C)(C)C 1539567281 UYWDHUVGGQFNHH-HYBUGGRVSA-N 426.630 4.935 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)CC1CCOCC1 1539616137 OTVKGXOXIDCIGP-VXNXHJTFSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C)cs1 1539624152 QHPKSDRYVYUMTC-RBBKRZOGSA-N 433.581 4.804 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CC)C1 1539758769 MLQYWNWXOCFGFN-MRXNPFEDSA-N 439.387 4.993 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1539842286 QAIRXWBTBPKOSK-UHFFFAOYSA-N 447.436 4.625 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1539856195 UASGUCRATVKRNC-OAQYLSRUSA-N 437.632 4.653 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1539905701 FFGZGHYSBIDELK-FQEVSTJZSA-N 437.632 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539921478 XSGMLEVOQQWPQF-JOCHJYFZSA-N 437.632 4.521 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539954017 YEUOPCQFWLYUTK-LJQANCHMSA-N 431.968 4.670 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)CC[C@H]1C 1540004574 BEJISEHIYKUKJE-RBUKOAKNSA-N 431.625 4.984 30 10 IJEE C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1540012560 QPRHPHBNEGBHSI-GOSISDBHSA-N 447.505 4.864 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCSC(C)C)C1CC1 1540116513 USZFUXZTIXALNF-SFHVURJKSA-N 435.638 4.647 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCC1 1540134218 PGCZTAPHSIQLBD-UHFFFAOYSA-N 441.938 4.630 30 10 IJEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCC[C@@H]1c1csc(C)n1 1540881187 AORYRGOUPUWAAK-HXUWFJFHSA-N 439.585 4.534 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 1543236271 ZIFMEKMIKJLBBR-QGZVFWFLSA-N 447.988 4.941 30 10 IJEE C=C(C)CCC(=O)Nc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc(Cl)c1Cl 1543290123 DNKAGJNISYVOMK-INIZCTEOSA-N 428.404 4.994 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCOC1CCCCCC1 1554164949 CNBKFXUCSDWCNG-QHCPKHFHSA-N 437.588 4.767 30 10 IJEE Cc1csc(SCc2ccc(C(=O)N3CCN(c4ccsc4C#N)CC3)cc2)n1 1557483457 DFCYUUJGGPSTJM-UHFFFAOYSA-N 440.619 4.639 30 10 IJEE C=CCn1c(SCC(=O)CC[C@H]2CCCCO2)nc2sc3c(c2c1=O)CCCC3 1559330569 GIJGVHPMOKVPRZ-MRXNPFEDSA-N 432.611 4.533 30 10 IJEE C=CC[C@H](Cc1ccccc1)NCc1nc(Br)c(Br)n1CC 1560503049 YMSORUVMJZXMLW-CQSZACIVSA-N 427.184 4.705 30 10 IJEE C#CC[C@H](NC(=O)N1CCOc2ccc(NC(=O)OC(C)(C)C)cc2C1)c1ccccc1 1564385049 JTMBXAKZAWOJQQ-NRFANRHFSA-N 435.524 4.702 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1)c1ccccc1 1564396813 QUTKBFZEYFHCJH-VQTJNVASSA-N 439.522 4.916 30 10 IJEE C#CCN(C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1564705411 ARIROYKCXYWJDV-FPOVZHCZSA-N 443.563 4.506 30 10 IJEE N#Cc1cccc(C2(NC(=O)c3csc(-c4ccc(Br)s4)n3)CC2)c1 1587170281 CHZIKXQTHAESSL-UHFFFAOYSA-N 430.352 4.925 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCN1CCC 1587593946 QGONEPHKCCDXKT-WMZOPIPTSA-N 434.415 4.974 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](C)(CC)C1 1587818413 WFRPOZCVPQYWIE-NRFANRHFSA-N 431.378 4.756 30 10 IJEE CC(C)(C)OC(=O)[C@](C)(NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 1588317409 HBHCNSWPEKWYNI-AREMUKBSSA-N 446.503 4.717 30 10 IJEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCC(C(F)(F)F)CC1 1588398168 BCKHZWIHQWTJFV-LBXVMSDZSA-N 448.489 4.619 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCc2sccc2C1 1593923021 AYUOOXKYFHVJRX-UHFFFAOYSA-N 430.961 4.633 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCN(C)C(C)C)CC1 1594064479 OFTJYQBQXMNCCD-UHFFFAOYSA-N 435.572 4.614 30 10 IJEE C=CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccccc1 1594552985 VFDAEJJTZSHWMT-GMAHTHKFSA-N 448.615 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCc1c(F)cccc1F 1595161915 PVEQWQBPFHAKIY-MRXNPFEDSA-N 430.524 4.557 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCC1CCCC1 1596848757 CFEHIBRYUDWRQM-ICSRJNTNSA-N 444.624 4.916 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](CC)(C(=O)OC(C)(C)C)C1 1598466740 MGTLJNPWWOPPOB-HOYKHHGWSA-N 438.609 4.597 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(I)cc3Cl)cc2n1 1611185160 UGUSTDMPFLUZJJ-UHFFFAOYSA-N 437.668 4.733 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1c(Br)ccc(OC)c1F)c1ccccc1 1621946046 IIVKRRNQRIBQHC-HNNXBMFYSA-N 428.323 4.583 30 10 IJEE C#CCN(C(=O)NCc1ccc(OCc2ccccn2)cc1)[C@H]1CCCc2ccccc21 1629782264 XTYKKZXODBXQLS-SANMLTNESA-N 425.532 4.883 30 10 IJEE C=CCc1cc(CNC(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC 1630465712 FIEQLJCOMDDVAF-UHFFFAOYSA-N 448.485 4.835 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 1630484977 XIKGLAKGPQVCRM-WMLDXEAASA-N 448.951 4.512 30 10 IJEE C=CCN(C(=O)CCn1ccc2cc(Cl)ccc21)[C@H](Cc1ccccc1)C(=O)OCC 1634104499 XQACLXOFZXPFDA-HSZRJFAPSA-N 438.955 4.874 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)C1 1640071021 SYLQIRRVHCTXTP-CYBMUJFWSA-N 425.369 4.997 30 10 IJEE Cc1nc(C#N)cc(N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)n1 1650722576 BOYQZAFFCMLECZ-UHFFFAOYSA-N 438.362 4.875 30 10 IJEE C=C(Cl)C[C@H](Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3)C(=O)OCC 1652125618 UGJRSTYVYWOJPV-AWEZNQCLSA-N 443.960 4.513 30 10 IJEE C=CCOc1cccnc1C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1653062985 OGWKJMZCOANNNJ-LJQANCHMSA-N 443.588 4.536 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cccc(OC3CC3)c2F)cc1OC 1656591006 OFXMVIMVCURZPW-UHFFFAOYSA-N 436.321 4.993 30 10 IJEE C=CCOc1c(Br)cc(CNCC2(c3cccc(OC)c3)CC2)cc1OC 1658053683 ZQHYKDSSYOQBGI-UHFFFAOYSA-N 432.358 4.853 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC(NC(=O)c3ccccc3C)CC2)cc1OC 1659037985 HUXCQZYDLWAFPN-UHFFFAOYSA-N 428.960 4.616 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Cl)cc1I)c1ccc(F)cc1 1659757137 ARJDTVHVVXCWKE-CQSZACIVSA-N 428.632 4.580 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Br)cc1 1666013856 LVWMCNOBZHLINY-UXHICEINSA-N 429.314 4.503 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 1667555670 YLZSCHPIORQVPP-DEOSSOPVSA-N 434.467 4.766 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C2CCCCC2)cc1 1667589834 PFLJMMGIMABUAR-QFIPXVFZSA-N 431.540 4.922 30 10 IJEE C=CCn1cc(CNC(=O)Nc2ccc(Sc3ccc(OC)cc3)c(Cl)c2)nn1 1667883880 YBSWKUZYPGTBMD-UHFFFAOYSA-N 429.933 4.599 30 10 IJEE CC(C)(CO)[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccnc1 1668709178 CROMOHIGWHSBDT-QHCPKHFHSA-N 448.498 4.553 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)cc1 1671013951 AGHDFCDIXHTYKR-YWZLYKJASA-N 433.346 4.589 30 10 IJEE CCCC[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccc(OC)cc1 1678347605 CKVAJKUIJOJBTJ-IQWMQGJTSA-N 436.556 4.883 30 10 IJEE C#CCC1(NC(=O)NCCOc2ccc(Br)cc2C(F)(F)F)CCCCC1 1679724156 GPOZOJXPFLZULJ-UHFFFAOYSA-N 447.295 4.872 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)c1ccc(Br)cc1 1679847135 QZBDQIMBEIAYLA-UWJYYQICSA-N 427.342 4.551 30 10 IJEE CC(C)(C)C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(F)cc1 1681547935 CXGLSTOMIVTYEA-NRFANRHFSA-N 426.511 4.846 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1681943420 JGNGLWLVUVFMNJ-IFMALSPDSA-N 443.588 4.904 30 10 IJEE C=CCCCCCCCCNC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 1682860111 RPJGCRPATNXURI-UHFFFAOYSA-N 433.544 4.695 30 10 IJEE C#C[C@H](NC(=O)NCc1ccncc1OCCC(C)(C)C)c1ccc(Br)cc1 1683103139 CVDOWDUBNLMVRA-IBGZPJMESA-N 444.373 4.833 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CC1(Cl)Cl)[C@@H]1CCOc2ccc(Br)cc21 1684256751 KSSHTWKMMIZLJA-IUODEOHRSA-N 446.172 4.501 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H](OC)C1(CC)CC 1685832626 BXMPDBUQZGJAIX-MSOLQXFVSA-N 427.358 4.880 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCCCC1 1689827504 GHUGJGGTRCLMDV-IRLDBZIGSA-N 437.632 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCC1(F)F 1690212487 NDMAXPMXCOHFDP-AUSIDOKSSA-N 439.510 4.546 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCO[C@H]1C(C)C 1690212879 VUAFJPISBFSSAX-LJGDZFJRSA-N 436.600 4.527 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(F)cc1 1690223014 BOQNSJAWZOEOQY-UHFFFAOYSA-N 436.716 4.678 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccc(Cl)cc2C1 1690277477 XWZMIVPKCNPZSV-UHFFFAOYSA-N 432.753 4.828 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCOC(F)(F)F)CC1 1690382512 RDZHBFSTVJOGCE-UHFFFAOYSA-N 430.858 4.593 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2cc(Br)cs2)CC1 1690408685 SNVLBVHULODXJQ-UHFFFAOYSA-N 432.391 4.558 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1690463301 ZBVPHZINBGYVJY-FQEVSTJZSA-N 425.577 4.568 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOCC2(CCC2)C1 1690478403 WCEHHGPVOUPHQK-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C1CC1)N(C)C 1690515736 SCLGFNZPIJVLSW-XLIONFOSSA-N 432.012 4.651 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(C(=O)N(C)C)CCCC1)C1CC1 1690539708 JPORHNPHSVOMSG-UHFFFAOYSA-N 445.970 4.541 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCc1nc(C)cs1)C1CC1 1690540937 HBVPEXSJZNGCLA-UHFFFAOYSA-N 428.993 4.936 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1CC1CC(F)(F)C1 1690556140 NULQRVTVDWQWKS-UHFFFAOYSA-N 439.510 4.510 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@H]1C(C)C 1690560048 OHUSVEXGQRLAGN-UPVQGACJSA-N 435.616 4.992 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)[C@@H](C)CC 1690577431 HKOYCVCXSIGNEL-SBUREZEXSA-N 425.602 4.700 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCc2cccnc21 1690613819 UQSBEODQILIITM-FQEVSTJZSA-N 437.975 4.752 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CC1 1705696441 NWTUXUBNHXLQCI-QUCCMNQESA-N 445.405 4.843 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(OC)c(C)c1 1705700063 OGQREHUJRRJRBM-ZJSXRUAMSA-N 447.583 4.583 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2CCN(CCC)CC2)CC1 1705765633 VJRMAZOWAMNKSK-UHFFFAOYSA-N 444.023 4.886 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1705782940 MSGKLNOZFBUPKX-AZUAARDMSA-N 445.652 4.915 30 10 IJEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCCc2sccc2C1 1705832490 ZGDLPTWPIBUGRH-UHFFFAOYSA-N 438.597 4.773 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@H]1C(=C)C 1705835644 PYSMOMAFSVRXPM-UXHICEINSA-N 435.597 4.980 30 10 IJEE CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2cccc(C)n2)C1 1710933379 AIMFVEXWNQWRLZ-PKTZIBPZSA-N 446.624 4.873 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCOC2(CCCCC2)C1 1722320760 JBTXFLWJUARLDU-UHFFFAOYSA-N 442.991 4.854 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(Nc2cccc(C)c2)CC1 1722461267 MZLPUGYHUCHEEW-UHFFFAOYSA-N 425.646 4.622 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cnn(CC(C)C)c1C 1722515001 MLZUHRWVYKPOJF-UHFFFAOYSA-N 445.615 4.962 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCC[C@H]1C 1722517006 JOVCNPZPBJKLCE-WZONZLPQSA-N 430.618 4.533 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1722548716 QOOXTKUEFKBFPS-SFHVURJKSA-N 447.986 4.750 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H](CC)OC)CC1 1722575231 BFRWQVPXRIRIOC-FQEVSTJZSA-N 428.577 4.568 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722600778 AYODOXPLOIIOIX-KRWDZBQOSA-N 429.565 4.648 30 10 IJEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1722629206 NBNVSOZHMFGLSR-KRWDZBQOSA-N 426.561 4.786 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCc2cccnc21 1722633340 SOHVSFSLONDQRQ-SFHVURJKSA-N 438.373 4.845 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)N1CCC(C)CC1)C1CC1 1722646821 LWLVTBWXPGEHAN-UXHICEINSA-N 441.595 4.832 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1cn2ccccc2n1 1722668299 OGQRTVUFIUREJB-UHFFFAOYSA-N 436.922 4.806 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@](C)(OC)CC2)cc1 1722706317 QYPFTBIFZARPJQ-SANMLTNESA-N 447.583 4.657 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722707510 RCGXRXHTSKZMAN-LVCYWYKZSA-N 446.542 4.860 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740567555 LHWUTJQETRPAGT-IEZWGBDMSA-N 430.394 4.854 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CC[C@H](C)C1 1740650779 NOBMKDTWPALKKS-LEWJYISDSA-N 434.584 4.640 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1740725105 HIGXMMIHXGHLDT-PRAZENRCSA-N 442.991 4.766 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CC 1740862134 KTXKHCWUUBLOHK-LJQANCHMSA-N 434.588 4.971 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(c2ccccc2)C1 1740865150 JQAIJHLEWCNUBP-UHFFFAOYSA-N 447.608 4.920 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740870193 CYADOSPYHBTKLY-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CC)CCCC1)C1CC1 1740906014 CWDNJGCDSJYREV-UHFFFAOYSA-N 442.007 4.987 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1nc(C)cc1C)C1CC1 1740907743 XXULDMHLKCEPFW-UHFFFAOYSA-N 440.979 4.666 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2ccccc2[C@H]1C)C(C)C 1740927045 QEOSLWVRBZHSRR-GZGNHOFSSA-N 449.643 4.604 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCN1CC 1740936523 XWDGMQVVOVUZRK-QHCPKHFHSA-N 444.583 4.519 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2sccc2C)C1 1744240717 BPOOYHUGXOQHPR-DEOSSOPVSA-N 435.597 4.968 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCOCC(C)C 1748646521 AMEYMORNDQTGQZ-FQEVSTJZSA-N 433.600 4.873 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1748737114 XMGHTJZPKXPAIE-ICSRJNTNSA-N 442.991 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC)CC1 1749133158 IGSDOJILSDHXRF-JPYJTQIMSA-N 430.543 4.755 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CCc1nccs1 1749181722 QLYNTOIODYZQDB-UHFFFAOYSA-N 435.553 4.829 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2sc(C)nc2C)CC1 1749305073 COEBWUFDYBDKSY-UHFFFAOYSA-N 428.005 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1749357330 MUECLXITIABRNY-UHFFFAOYSA-N 441.620 4.924 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749370856 QWNNPSBDVFZALM-YJBOKZPZSA-N 440.485 4.766 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749391100 LBEYURMEOLNXNB-GJZUVCINSA-N 438.616 4.951 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749401668 BUEDKGUBZFBUPN-BWKNWUBXSA-N 440.588 4.788 30 10 IJEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1Cc2ccoc2CC(C)(C)C1 1749447307 BILNSBKZTWNRLY-UHFFFAOYSA-N 431.540 4.591 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCSC1 1749548907 NTUDSWFULLVSJZ-INIZCTEOSA-N 441.582 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1749571763 QKLIIOYJCFTSDK-XMMPIXPASA-N 442.611 4.821 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(COC)CCCCC2)C1 1749703048 BRWRHEDXIAAJGO-LJQANCHMSA-N 445.007 4.977 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(c2ccccn2)CCC1 1750059540 ARXHTOOKGRWMRG-OALUTQOASA-N 448.546 4.670 30 10 IJEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)C1 1750065941 DDUSHIIGPUXFNA-DLBZAZTESA-N 449.430 4.968 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1760156348 DGWPEZXDDNBWLB-DHLKQENFSA-N 433.644 4.914 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C(C)C)C1 1760275652 DGBRQIBMFRCBRB-ROUUACIJSA-N 428.671 4.980 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2ccccc2)C1 1760302470 DZSKCQLEVQMGCO-KRWDZBQOSA-N 444.764 4.896 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1760343890 BKHNYPQGMHDCII-LJQANCHMSA-N 430.980 4.729 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2oc(CCC)nc2C)CC1 1760392276 KUIRVTVBGKDZSO-UHFFFAOYSA-N 441.963 4.964 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1CCC(OC)CC1)C1CC1 1760471099 MIGBUJAFQAAMJZ-XPQZIERPSA-N 428.552 4.917 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1Cc1cc(C(C)(C)C)no1 1760481375 UUGAUZNWHZIBOA-UHFFFAOYSA-N 428.540 4.867 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1CC1(SC)CCOCC1 1760492520 WEWHNUZDAOHJAH-UHFFFAOYSA-N 435.597 4.584 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)C[C@H]2CCCO2)on1 1764069463 FIBRVFGHOJPGPY-OAQYLSRUSA-N 448.571 4.762 30 10 IJEE CCCN(CC)CCn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1765989380 DDKMHLMRPJEVTJ-UHFFFAOYSA-N 434.632 4.764 30 10 IJEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCC2)CCCCC1 1770841449 COTYKXNYQWXSNP-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE CCN(C(=O)c1oc2c(c1C)C(=NNC(=N)N)CC(C)(C)C2)c1cccc2ccccc12 1772729173 IACAARUKUSRWDF-UHFFFAOYSA-N 431.540 4.567 30 10 IJEE Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccnc1NC(=O)c1cccc(C#N)c1 1858723319 IJIZNPKMFXSYGM-HNNXBMFYSA-N 434.883 4.573 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1)c1ccc(Cl)cc1Cl 1862379647 HHSFYXAIQLYDFZ-KXBFYZLASA-N 432.303 4.751 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 1862430288 HOGISEKLZQRUOG-FQEVSTJZSA-N 431.891 4.873 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862437307 ODTIQEQRCSZYQY-LJQANCHMSA-N 444.871 4.578 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(OCC)c1 1862639722 FXTFFHAFQBJXJW-NRFANRHFSA-N 427.472 4.611 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C2CC2)cc1OC 1862657988 LQNCHFGPRSMDBN-DEOSSOPVSA-N 443.499 4.988 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 1862675154 CRSKVMVAPKTDTP-JOCHJYFZSA-N 437.467 4.706 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@@H]2c2cccc(OC)c2)cc1 1862686953 DHLVDHLSOBEEGG-POCHDABASA-N 435.520 4.861 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 1862744581 PRTBNIXMJLPAHV-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)OCC)cc2)=C(c2ccc(Cl)c(Cl)c2)C1=O 1863278300 RPMSSNNORZNYHU-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@@H]1c1ccc(C(C)C)cc1 1864206866 WIKDMDVAODEZJX-NRFANRHFSA-N 436.600 4.612 30 10 IJEE CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)c1cccc(Br)c1 1867198511 QXCNSPWSKRQZCS-MGPUTAFESA-N 442.357 4.594 30 10 IJEE N#Cc1ccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(Cc3ccccc3)n2)cc1 1868220095 UKLBTNIZVHBJOK-DEOSSOPVSA-N 448.530 4.656 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)nc(CC)n1 1869133105 UACLLGPMFPKJBC-LJQANCHMSA-N 443.389 4.558 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2ccccc2C)n(-c2ccccc2)n1 1870001570 KGGDHZIAEVMHAZ-UHFFFAOYSA-N 431.540 4.552 30 10 IJEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 1870145825 QXUUCPOWUWHBIJ-UHFFFAOYSA-N 447.539 4.633 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CSCc1ccccc1 1870215068 VSZDKQGZSDZQCY-UHFFFAOYSA-N 438.524 4.624 30 10 IJEE CCCCN(CC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCOC(C)C 1870350126 QUEWFWXVVPACCZ-UHFFFAOYSA-N 439.600 4.736 30 10 IJEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CNc2cc(C)cc(C)c2)cc1=O 1870813702 XEHPKZCXYFDVEW-VWLOTQADSA-N 447.579 4.651 30 10 IJEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1871006333 AYALVUMBAAPEEN-UHFFFAOYSA-N 436.939 4.686 30 10 IJEE CCOc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)c1 1871387522 ZXIVXVPRGIQAQQ-CFRMEGHHSA-N 446.455 4.938 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 1871434018 PXLWNIWNUVRGAP-CVHFWEDTSA-N 440.492 4.739 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CC1 1871784017 REFCIEKGSHSQJA-SFHVURJKSA-N 433.401 4.717 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 1872473592 SGBUFUPWAORRPN-JOCHJYFZSA-N 432.561 4.762 30 10 IJEE COCCc1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873502311 GCHMPWDGBYJAEZ-SSDVNMTOSA-N 437.352 4.524 30 10 IJEE CCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)CCCOc1ccc(C)cc1 1873710637 NQERQENNLZUQLB-UHFFFAOYSA-N 449.576 4.543 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccc(O)c(OC)c1 1874231151 VHXNJIQLZDPQNY-FSJBWODESA-N 444.944 4.693 30 10 IJEE CCCSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(C(=O)O)cc1 1874247683 QMOWVFCHUWBGJX-LFVJCYFKSA-N 438.553 4.681 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1ccccn1 1874289288 WTLGMVXVVACWSV-VULFUBBASA-N 449.511 4.574 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874351835 HCHWXAOMAUNGRR-YDZHTSKRSA-N 446.960 4.629 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3)n2/N=C/c2ccc(O)c(O)c2)cc1 1874415247 GSUBANVCEZNZHM-MFKUBSTISA-N 430.533 4.763 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2/N=C/c2ccncc2)c(C)c1 1874430210 YEHWUYBDBSRUKC-CVKSISIWSA-N 442.548 4.570 30 10 IJEE CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1874441536 AWTMBLMRIAFBDQ-QNDYCBLQSA-N 428.945 4.966 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)C)c1 1874512048 JISDCQPFXSWUAJ-ZVHZXABRSA-N 437.569 4.722 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1/N=C/c1c(OC)ccc2ccccc12 1874567986 BNDKTDBSMRLAOR-MFKUBSTISA-N 446.532 4.755 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875163863 HLRRRCMKQDVVHV-RMKNXTFCSA-N 431.391 4.873 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(=O)CCOC)c(Cl)c2)c(OCC)c1 1875177356 HNTQIPDBXUKKKP-UXBLZVDNSA-N 432.900 4.975 30 10 IJEE Cc1cc(C(=O)N2CC[C@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)c(Br)s1 1879738367 UDVHRNMEWXSMNN-SGTLLEGYSA-N 426.185 4.517 30 10 IJEE CC(C)(C)c1cc(C(=O)N2CCC(COc3nccnc3C#N)CC2)cc(C(C)(C)C)c1 1891291546 SWYHAXWOKVJYNT-UHFFFAOYSA-N 434.584 4.874 30 10 IJEE C[C@@H](Oc1cccc2ccccc12)C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1891616674 UOHVLVWJLJFMMM-QGZVFWFLSA-N 427.422 4.825 30 10 IJEE C#Cc1ccc(CNC(=O)[C@@H](CC)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1901483706 QSQLLYRESPFTSR-AREMUKBSSA-N 438.527 4.601 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C 1902331399 DEXKTVKGNJMBBM-RRFJBIMHSA-N 435.487 4.761 30 10 IJEE C[C@@H]1C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)C[C@](C#N)(NC2CC2)C1 2055014972 KCJQCRMJIKLFHD-XTBZXYEFSA-N 430.640 4.824 30 10 IJEE C#CC[C@H](C[C@@H](NC)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 2076090218 AOCOTSRDVZDWQJ-DNQXCXABSA-N 439.644 4.574 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2110509259 ITPYGIHSXIDBOF-SJORKVTESA-N 443.813 4.930 30 10 IJEE C=CCC1(C(=O)Nc2cc(F)c(Br)c(Cl)c2)CN(C(=O)OC(C)(C)C)C1 2124500350 ZDTFOSIBGRZFOU-UHFFFAOYSA-N 447.732 4.993 30 10 IJEE CCCN[C@H](CC#CC1CC1)c1ccc(Br)cc1I 2142285885 WBOYFVQHXYFUSO-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cccc(F)c2Br)NCC)C1 2183006073 GPNFTEZMMADCLN-QGZVFWFLSA-N 441.385 4.970 30 10 IJEE CCN[C@H](C#Cc1ccc(C)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2223361346 SNDLNWOCRSHGHR-SDUSCBPUSA-N 436.596 4.823 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)nn1C(C)C 2224257462 GRKHJWXOEJEUED-WMLDXEAASA-N 429.403 4.737 30 10 IJEE CCCc1ccc(C#C[C@@H](O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1 2231181186 RPUUTXIWDPPBSN-LEAFIULHSA-N 448.607 4.521 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2235735345 YVEVSIKYAITFSH-MJGOQNOKSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CC[C@H](N)C#Cc1ccccc1Br 2235746696 KXGVTNIQZXVXJY-NLWGTHIKSA-N 435.406 4.992 30 10 IJEE CN(CCN(Cc1ccccc1)C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1)Cc1ccccc1 2241475689 CMRVYNDJQAOXKX-UHFFFAOYSA-N 448.416 4.774 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccccc1Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2265860597 REPBXVIGRMLBOU-INIZCTEOSA-N 440.349 4.759 30 10 IJEE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2267113909 ANUFXWIXSPHMMU-IYARVYRRSA-N 444.381 4.547 30 10 IJEE C=CC[C@]1(COc2cc(Br)nc(C3CC3)n2)CCCN1C(=O)OC(C)(C)C 2287852322 KPCMMUREPDKJKY-HXUWFJFHSA-N 438.366 4.841 30 10 IJEE Cc1ccc(-n2nc(C(=O)O)c(C=Cc3ccc(Cl)cc3Cl)c(C#N)c2=O)cc1C 2293285401 DOBHQQMGJVDBDX-UHFFFAOYSA-N 440.286 4.896 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H](CC1CCCC1)[C@H](N)C#Cc1cccc(Br)c1 2296221696 KVCKAMLTSWHENS-UYAOXDASSA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H]([C@@H](O)C#Cc2cccc(Br)c2)C1 2296223648 BYWHDNRXOAHUGU-OALUTQOASA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](O)C#Cc1ccc(Br)cc1)c1ccccc1 2296272692 LVMKAFJZKSXJOW-PMACEKPBSA-N 430.342 4.818 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@H](O)C#Cc3ccc(Br)cc3)C[C@H]21 2296284064 MXNMSVQDQVGEJL-RAUXBKROSA-N 434.374 4.587 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCCC[C@H]1NC(=O)OC(C)(C)C 2296288739 KCJIWZIHTSYGJW-WOIUINJBSA-N 435.406 4.862 30 10 IJEE O=S(=O)(c1cccc(-c2csc(NN=CC=Cc3ccccc3)n2)c1)N1CCCC1 2314479436 WOBJDKOTYYRIGD-UHFFFAOYSA-N 438.578 4.706 30 10 IJEE CN(CCCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317347087 RKAUOJOERPOZFM-UHFFFAOYSA-N 432.370 4.752 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C2CCCC2)c1OCc1ccc(F)cc1 2321927998 GHZQWTVGVJCSIH-UHFFFAOYSA-N 426.517 4.833 30 10 IJEE CCCOc1c(C=Nn2c(S)nnc2COc2c(C)ccc(C)c2C)cccc1OC 2322161013 JVRPDJQPTYXSCY-UHFFFAOYSA-N 440.569 4.751 30 10 IJEE O=c1c(Br)c(NN=Cc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1 2322659406 HJZODGSKKGKRQG-UHFFFAOYSA-N 438.112 4.748 30 10 IJEE COc1ccc(-n2ncc(NN=Cc3ccc(OC(C)C)c(Cl)c3)c(Cl)c2=O)cc1 2323230914 SWLWXGGIVYNQGS-UHFFFAOYSA-N 447.322 4.781 30 10 IJEE CCCCOc1ccc(C=NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 2323353814 OKDKRDDNZQILKF-UHFFFAOYSA-N 445.368 4.883 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)c(C)c2)ccc1OCC(=O)Nc1nccs1 2323985161 SUCNDZXLIAFOPV-UHFFFAOYSA-N 440.496 4.903 30 10 IJEE CC1CCN(c2ccc(NC(=O)C(=O)C=Cc3ccccc3Br)cc2)CC1 2325603884 HXRWMISOSMBPKE-UHFFFAOYSA-N 427.342 4.906 30 10 IJEE CCOc1ccc(CC(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1 2325747287 WUTDUSQIPDDUBF-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE Cc1ccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SCCCO)cc1 2326149132 OGWFASRJACCAKJ-UHFFFAOYSA-N 444.988 4.792 30 10 IJEE COc1ccc(C=Nn2c(C)nnc2SCc2cccc3ccccc23)cc1[N+](=O)[O-] 2326635650 VXRICBYTMRKPEZ-UHFFFAOYSA-N 433.493 4.831 30 10 IJEE CCOc1ccc(C=Nn2c(COc3ccc(OCC)cc3)nnc2SCC)cc1 2326673297 YOSUMYWXBYGXOP-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc[nH]1 2328677167 HBRJGZSLELGYEU-UHFFFAOYSA-N 431.565 4.883 30 10 IJEE Cc1cc(C)n(-c2ccc(=NN=Cc3c(OCc4ccccc4)ccc4ccccc34)[nH]n2)n1 2328815553 MEMYWYBBGJWKRO-UHFFFAOYSA-N 448.530 4.879 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(C)c1 2330786194 HKEKNNAPSYJWAP-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE Cc1ccc(C=Nn2c(CC(C)(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 2330819355 WOZFKPZKNPXUOV-UHFFFAOYSA-N 439.560 4.927 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(C)c2)cc1[N+](=O)[O-] 2330873336 YPTGRZKJMLLDIB-UHFFFAOYSA-N 427.453 4.912 30 10 IJEE CC(C)COC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(C(C)(C)C)cc1 2330994095 QRIYBXRQOJQUPG-LJQANCHMSA-N 444.601 4.601 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2cccc(OC)c2)cc1 2331684577 URHPMVUIOBGFJA-UHFFFAOYSA-N 437.569 4.586 30 10 IJEE CCN[C@@H](C#Cc1nccs1)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2338240156 SKCVKGYNCSNINV-INIZCTEOSA-N 436.375 4.955 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197271 JAFPZPGIZSNIOF-RSPOEFSDSA-N 433.390 4.567 30 10 IJEE CCn1c(SCC(=O)OCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 9848087 LGAPCQUCASVHCW-UHFFFAOYSA-N 447.347 4.979 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC)cc2)C3)cc1OC 20882865 PNOSEJXDXUCPED-TZIWHRDSSA-N 449.547 4.887 30 10 IJEE COc1ccc(COc2ccc3c(c2)O/C(=C/c2cc(OC)c(OC)cc2OC)C3=O)cc1 33514117 NNFIYJXXMMRSRM-BRJLIKDPSA-N 448.471 4.916 30 10 IJEE C=C(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1 66063146 PCULASRPXGTOKX-UHFFFAOYSA-N 443.547 4.964 30 10 IJEE CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CC1CCCC1 100430280 QOSXETABWNPBHW-JOCHJYFZSA-N 436.637 4.748 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C\c4ccccc4)ccc3C2=O)c1OC 103019380 VUHFZKVVRADMMO-BAHMTSKISA-N 428.440 4.939 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1Cc1ccccn1 169946720 YHKLXTIRNQMXFL-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccco2)c1 170090004 PTRVCIMSEJMCAH-LJQANCHMSA-N 438.505 4.925 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)cc1 170096382 KTEZOHBHLQIZJV-HSZRJFAPSA-N 443.455 4.855 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)cc1C 170131842 KWXOYQADGDEHRP-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccs1)c1ccc2c(c1)CCCC2 170162786 FJDNLASZPUPABZ-JOCHJYFZSA-N 430.529 4.800 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccnc2)cc1Cl 170189235 DIIDDGKLWCSYBF-NRFANRHFSA-N 434.879 4.835 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC(C)C)c2)[C@@H]1c1ccc(Cl)cc1 170234842 JVHKQJPDIWFFAG-NRFANRHFSA-N 443.927 4.600 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2c2ccccc2)cc1 170265576 AZDXKLXDBNOBCR-XMMPIXPASA-N 425.484 4.967 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1ccc(C)o1 170304330 VAAATWVFMLYOAG-NRFANRHFSA-N 437.423 4.527 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@@H]1c1ccc(C)o1 170305100 PMUFOLCNZIKGNY-JOCHJYFZSA-N 442.471 4.868 30 10 IJEE Cc1nc(C(=O)Nc2c(Br)cc(Cl)cc2Br)ccc1C#N 225795380 HZPDPHLACVATHJ-UHFFFAOYSA-N 429.499 4.692 30 10 IJEE CCCCCCCCn1c(NN=C(C)/C=C/c2ccccc2)nc2c1c(=O)nc(O)n2C 254290646 COBGNFYCVREHPC-OEWWFZSISA-N 436.560 4.697 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 460958354 OGKYAJVHYCRVBY-RDPSFJRHSA-N 446.551 4.889 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)cc2)ccn1 464660189 BCLVEIAMBWDSPX-UHFFFAOYSA-N 428.326 4.925 30 10 IJEE C=CCn1c(SCc2nsc(N(C)C)n2)nc2scc(-c3cccs3)c2c1=O 467387608 CYVCMYAJVYZHBF-UHFFFAOYSA-N 447.636 4.582 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1 475549675 UCXUOOKWWURNJC-UHFFFAOYSA-N 437.584 4.905 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508729763 JNMJYHMHTQLGGG-LJQANCHMSA-N 436.560 4.550 30 10 IJEE C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2nncc3ccccc23)c(Cl)c1 538362976 MGDXTUVRLLSASK-OAHLLOKOSA-N 438.915 4.875 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CCN2)c1 585825549 IFHLTIAEGBBTNJ-SPVWDYLKSA-N 441.959 4.652 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(CC#N)c1ccc(OCc2ccccc2)cc1 586258278 ZRLHYYOYOAVDLK-UHFFFAOYSA-N 442.924 4.646 30 10 IJEE C=CCCCN(C)C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 605677139 MYGPMHIHPRFLQX-UHFFFAOYSA-N 426.460 4.544 30 10 IJEE C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 605677355 ZWGNUZVOEUCAKQ-UHFFFAOYSA-N 426.460 4.544 30 10 IJEE Cn1ccnc1C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)c1ccccc1 610321317 PUXATISEPNBCRZ-QFIPXVFZSA-N 438.491 4.585 30 10 IJEE N#Cc1ccc(CNC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1Cl 619769608 BTZVDNJOIXYIOB-HXUWFJFHSA-N 443.334 4.523 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)[C@@H](C#N)c1ncc(Br)cc1Br 698965000 ARDMNJHXZKPDGN-ZDUSSCGKSA-N 445.155 4.818 30 10 IJEE CC[C@@H]1CC[C@H](C#N)[C@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 700342169 BDPQMMPMTMCCPD-JLZXMEHYSA-N 432.520 4.944 30 10 IJEE C=CCC1([C@H](Cc2cc(F)cc(Br)c2)NC)CN(C(=O)OC(C)(C)C)C1 722914731 UUVZZPQWTPTBAU-KRWDZBQOSA-N 427.358 4.532 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(C=NNc2ccc(Br)cn2)cs1 727263246 TYQMDPHDYYMYKT-UHFFFAOYSA-N 430.331 4.740 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)c(Cl)c1 733201522 LGTWCBKGNZKUBU-SFHVURJKSA-N 447.894 4.602 30 10 IJEE C[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1nc(Cc2ccccc2)no1 752994294 BIWHREXEMNPGJI-MRXNPFEDSA-N 443.532 4.821 30 10 IJEE COc1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(O)c2Cl)cc1 762445564 RZHMNQKLLVFKJK-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE COC(=O)c1ccc(-c2nc(CON=C(C)c3nc4ccccc4n3C(F)F)co2)cc1 782313376 LNSGRSCBWPLVDX-UHFFFAOYSA-N 440.406 4.814 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 804457032 MQZLGCIJYGNCEH-ODFVOIPKSA-N 444.531 4.643 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cc(C)ccc1SCC(F)(F)F)c1ccc(Cl)cc1 810473311 AMQZLLDBJWWGJE-HNNXBMFYSA-N 440.874 4.732 30 10 IJEE CC1(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)cc(-c3ccccc3)c2)CC1 811726047 KFOKWWSSRWQIOD-UHFFFAOYSA-O 428.537 4.572 30 10 IJEE CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Nc2ccc(/C=C\C(=O)c3ccccc3)cc2)c1 1084087145 NNURLGVEAMTISA-RAXLEYEMSA-N 443.455 4.686 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(-c2cnn(C)c2)ccc1F 1129703057 YEFXUIQFUMIXCR-UHFFFAOYSA-N 430.277 4.806 30 10 IJEE Cc1nn(CC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c2ncccc12 1130125856 FJYKVMCEXGEOND-UHFFFAOYSA-N 434.315 4.668 30 10 IJEE CCOC(=O)c1ccc(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)nc1 1130125928 GQCLEOLAFUBSEQ-UHFFFAOYSA-N 438.299 4.800 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1)c1ccccc1 1130322174 CPEYWWRLFOVOQT-RTBURBONSA-N 443.341 4.506 30 10 IJEE C=CC[C@H]1CCCN(C(=O)C2(Nc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)C1 1165744261 NIXNRBZWWHSIDF-FQEVSTJZSA-N 427.589 4.683 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN(C)CC[C@@H]3CCCCN3C)c2C#N)C1 1167508316 GEZZBUYUKOAYKR-MOPGFXCFSA-N 444.689 4.906 30 10 IJEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 1188388864 DROVHEAYYKSYHZ-UHFFFAOYSA-N 427.378 4.810 30 10 IJEE COc1ccc2c(c1)CN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](c1ccccc1)C2 1192157243 GMRNXSXYFAGMLX-HSZRJFAPSA-N 431.561 4.983 30 10 IJEE C=C(CC)CNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1 1197352848 ZLUMJIHJJKKLDY-UHFFFAOYSA-N 449.548 4.736 30 10 IJEE CCOC(=O)C1(CNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCC1 1206776958 ACFYWTROQKGSPL-UHFFFAOYSA-N 444.347 4.831 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)c1ccc(Br)cc1 1216250639 WFJRNDPHPIBTHX-CQSZACIVSA-N 427.220 4.728 30 10 IJEE C=CCc1cc(CNC(=O)N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc(OC)c1OC 1221553898 WGYAWURXPMKYNC-XZOQPEGZSA-N 438.568 4.820 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 1230498901 MYTMDWDPZHWTMF-RCCFBDPRSA-N 437.259 4.998 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(c4ccc(C(C)C)cc4)CCCC3)cc2C1=O 1265090949 XOANCIUPBFPFDR-UHFFFAOYSA-N 430.548 4.834 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)C(C)(C)C 1286272464 AQISVCUYKDPHFV-QFBILLFUSA-N 437.613 4.896 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1286318794 QZRJTFWXBKFCBZ-IBGZPJMESA-N 440.588 4.550 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286333922 PRXXGZNLRWLPKL-JOCHJYFZSA-N 449.624 4.600 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H](c1cccnc1)C(C)C 1286448830 BCELOJPGHBZDER-HSZRJFAPSA-N 426.568 4.645 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@@H]1OC 1286583138 JNBLQPQTUAVMIB-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1286587202 ASVBTORGKNBZPL-KRWDZBQOSA-N 425.945 4.686 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286655097 KEPJXNLBPYNPJM-UHFFFAOYSA-N 441.576 4.648 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C)COC)CC1 1286663434 BZZLKHYMLHBWGT-HXUWFJFHSA-N 426.605 4.974 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCn2cccn2)CC1 1286664400 WUOWSYHAVRSNLG-UHFFFAOYSA-N 448.615 4.844 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CSCCS1 1286681728 RWDVKOUWCUECMG-HXUWFJFHSA-N 427.643 4.848 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCN1CC 1286719679 QKGZPFGOEUVIAP-IBGZPJMESA-N 425.577 4.919 30 10 IJEE C=CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](OCC(C)C)C1 1286826996 ZVADJTPIJKLJOX-LJQANCHMSA-N 426.586 4.862 30 10 IJEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](CC)c1ccccc1 1292052991 IFYAWYHSJVWZHI-FQEVSTJZSA-N 436.604 4.520 30 10 IJEE CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1 1293331534 HQQFLMSHBGRZBZ-NZSAHSFTSA-N 429.515 4.789 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 1293525683 NZBKOQAVBXCHRP-UHFFFAOYSA-N 428.554 4.536 30 10 IJEE CCCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cccs2)c(C)n1 1294294455 BFTKRMAKHHAAHR-UHFFFAOYSA-N 445.596 4.868 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(CCOCc2ccccc2)CC1 1300287023 SBIQJTRJUFOYOZ-LJQANCHMSA-N 449.986 4.839 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC1CC1)C1CCC1 1300425235 RTVTXSDUMJRGLZ-FQEVSTJZSA-N 427.593 4.532 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1300937296 PBPADAHBLFNDFT-UHFFFAOYSA-N 439.604 4.919 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1301088823 HFYCEEHYCXSKIM-NRFANRHFSA-N 443.636 4.814 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCOCC2(CC2)C1 1301177330 XYCJCDVXQYGDKN-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC(C=C)CC1 1301231100 CVQXRJUHCLMHJZ-UHFFFAOYSA-N 431.378 4.988 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)C1CC1 1301601489 DTVDZHHNAROCNH-UHFFFAOYSA-N 437.407 4.624 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1301612384 LTFPLQQMJFLWSE-FGZHOGPDSA-N 442.629 4.579 30 10 IJEE Cc1ccc(-c2nc(Cn3c([C@@H]4CCOC4)nnc3N(CCC#N)CCC(C)C)co2)cc1 1304295295 CAJMLOMVKSIBEG-OAQYLSRUSA-N 448.571 4.560 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1306272841 CHMHGVTXVWCJIZ-FZONSQQESA-N 437.588 4.557 30 10 IJEE Cc1cc(C(=O)CSc2cccc(F)c2C#N)c(C)n1C[C@@H]1COc2ccccc2O1 1307350455 GUQFFSNSRDOQSP-QGZVFWFLSA-N 436.508 4.931 30 10 IJEE C[C@@H](Sc1nnc(NCc2cccs2)s1)C(=O)Nc1ccc(C#N)c(Cl)c1 1307399352 FZLYOQLDKNMEHO-SNVBAGLBSA-N 435.987 4.856 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 1310188219 IBEPEZKIYXXZMX-JOCHJYFZSA-N 437.540 4.907 30 10 IJEE C#CCOc1ccccc1NC(=O)NCc1cccnc1Oc1ccccc1OCCC 1310573608 WXZJKNQGGLZVGO-UHFFFAOYSA-N 431.492 4.996 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1 1311617440 PAJVGGKTLRRLMY-SJCJKPOMSA-N 449.732 4.608 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1311796734 DFXUGMFCXQJUBA-FQEVSTJZSA-N 427.932 4.538 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)c1ccco1)c1ccc(Br)cc1 1312880301 XABWROWBLTZPLM-FPOVZHCZSA-N 439.309 4.814 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 1313127595 JUAQVDXCWCNZPD-UHFFFAOYSA-N 429.561 4.638 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1350122402 ACNNBFGGFYRCCJ-YCRPNKLZSA-N 437.378 4.972 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCO[C@@H]1CCOC1 1359108808 DOMBNZWPIPFSHF-QGZVFWFLSA-N 439.387 4.850 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@H](C)C1 1359144337 FQXNERLPTIQGJZ-CHWSQXEVSA-N 439.785 4.951 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nc(C)c(C)s2)CC1 1359181344 OWNMTXKWWDEGNI-UHFFFAOYSA-N 437.613 4.998 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1[C@]1(OCC)CCOC1 1359193005 UPFZQOZCCJBQFS-CPJSRVTESA-N 442.579 4.666 30 10 IJEE C=CCCCCn1c(N2CCN(c3ncc(Cl)cc3Cl)CC2)nnc1C(C)(C)C 1359206987 VUACULMWPRJMMY-UHFFFAOYSA-N 437.419 4.960 30 10 IJEE C=CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359210522 WRVLREYYUKOVHK-INIZCTEOSA-N 433.478 4.730 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2C[C@H]1CO2 1359338708 DYNLLTAPOKZRNU-GJZGRUSLSA-N 425.385 4.539 30 10 IJEE Cc1cccc2nc(CCNC(=O)c3cccc(Oc4cccc(Cl)c4C#N)c3)cn12 1437414212 HUQSWJYRLKLMFM-UHFFFAOYSA-N 430.895 4.933 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1437967171 IPVITFHQDNVAID-UHFFFAOYSA-N 447.000 4.562 30 10 IJEE N#Cc1ccccc1Sc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)cc1 1447168559 HYJWHUQUDSENHP-FQEVSTJZSA-N 426.900 4.965 30 10 IJEE C=CCOc1ccc(OC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)cc1 1456887836 YYBXCCAPVFWYRG-UHFFFAOYSA-N 440.233 4.993 30 10 IJEE C=CCOc1ccc(COC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)cc1 1458770823 XINACTWTVQDLDD-UHFFFAOYSA-N 432.513 4.611 30 10 IJEE COC(=O)[C@@](C)(CNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccccc1 1459068774 AEONNDMWYUUIHB-SANMLTNESA-N 428.488 4.520 30 10 IJEE C#CCN(Cc1cc(C(=O)OC)ccc1Cl)[C@@H]1CCOc2ccc(Br)cc21 1459514603 QSOOXPKEVQQUHH-LJQANCHMSA-N 448.744 4.848 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 1462175885 IBJORGJAHJIGIM-IBGZPJMESA-N 441.856 4.803 30 10 IJEE C#CCCOc1ccc(C(=O)NCc2ccc(Br)c(Br)c2)cc1 1463019447 MAQJFCRERJPGSP-UHFFFAOYSA-N 437.131 4.544 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 1464383676 UUPKSXOUUDNDPX-GOSISDBHSA-N 439.331 4.733 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C)n(NC(N)=O)c1C)c1ccc(C)c(C)c1 1465010361 RLWJBKZHLCORCQ-UHFFFAOYSA-N 446.551 4.756 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)c1ccc(Cl)cc1F 1465323652 QAGZLUQTGXGGFM-MRXNPFEDSA-N 437.784 4.575 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 1465325764 YYMPICXEPLSTKP-DEOSSOPVSA-N 445.563 4.609 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N(Cc3ccncc3)Cc3cccnc3)cc2)nc1 1465431272 BRGGVERMOLYNQB-UHFFFAOYSA-N 436.475 4.770 30 10 IJEE C#C[C@@H](C)NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OCc2ccccc2)c1 1470656895 IHZJSGZHMDEJCV-RLWLMLJZSA-N 428.532 4.533 30 10 IJEE C=CCSc1ccccc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 1471918372 PWQDFELTFZSDQA-JKSUJKDBSA-N 444.519 4.882 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N[C@H](CO)c3ccccc3C(F)(F)F)c2)c1 1472030777 GUYCRKSZRQRYDO-JOCHJYFZSA-N 440.421 4.619 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N2CCCCCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1472907628 GSDBGPWGSZHOTJ-HZPDHXFCSA-N 445.654 4.652 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(C)cc3Br)nnc12 1472913441 FOIFMZXQFCVUSH-UHFFFAOYSA-N 441.354 4.593 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 1477933296 SSGFDVOEAPIORU-LJQANCHMSA-N 446.364 4.955 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1478963936 DLBGUZFTANBNDP-RYFAJOAYSA-N 449.636 4.615 30 10 IJEE CC[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccnc(Oc2ccccc2F)c1 1495452320 GWARXXXBYWQVSY-MWTRTKDXSA-N 438.482 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN(C(C)C)C(C)C 1507545233 CETIQVJHOOKYQO-GOSISDBHSA-N 434.053 4.801 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC(C)C)C1 1507581997 BHUJISPQKQICIU-FQEVSTJZSA-N 446.599 4.522 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H]1CCCO[C@H]1C(C)C 1507701240 ARGRSSRJWJHXDR-QPPBQGQZSA-N 426.580 4.707 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(C)s1 1507703132 QWDAHRKVDUISLU-QGZVFWFLSA-N 444.988 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1C[C@](C)(OC)C1CC1 1507764326 NICVKLOGSCCNSE-UXHICEINSA-N 449.418 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1507768549 SPEBBWAHEPCFMA-NIYFSFCBSA-N 433.600 4.504 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN(C)[C@H](C)CC)CC1 1507882499 USFAOLSZHKXJTH-IFMALSPDSA-N 425.621 4.922 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1507886922 JALACVSTPXHZPX-LJQANCHMSA-N 431.625 4.670 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCc2csc(C(C)(C)C)n2)CC1 1507901289 HTGZUTHNEFNBAP-UHFFFAOYSA-N 436.629 4.663 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccccc1 1507924721 SDDZPDGADJODPO-KRWDZBQOSA-N 443.382 4.938 30 10 IJEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)C(C)(C)C1)c1ccccc1 1507927636 AGLOJMZJGLSSPC-UNMCSNQZSA-N 435.616 4.633 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC(C)(C)[C@H]1C 1507930130 ZCRCCWGYCYUWNT-LJQANCHMSA-N 425.577 4.507 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC1CC(F)C1 1507958501 DSMPWJVVGQAMNB-LRYGQEGESA-N 432.609 4.908 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1([S@](C)=O)CCC1 1507973576 KCMRGUBQOFJDKG-PMERELPUSA-N 444.601 4.736 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1CCCOC1)C1CC1 1507988188 KEFDZCBPCKBOSU-INIZCTEOSA-N 431.378 4.597 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCc1cccs1)C1CC1 1507995775 OOAXXAYODRCAFS-IBGZPJMESA-N 443.617 4.809 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccsc2)C1 1508115902 PNZIJRHNZWINAI-OXJNMPFZSA-N 444.988 4.963 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](OC)C(C)C)C1 1508118013 QGXRXZZPTHDTQJ-UXHICEINSA-N 444.645 4.728 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1cccs1)N(C)C 1508415171 CEELMMYSDMTDHN-QAPCUYQASA-N 428.993 4.559 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cc(C(=O)OC)nn2-c2ccccc2)C(C)(C)C)cc1 1517425499 RSBICTGKKJIHTD-UHFFFAOYSA-N 447.535 4.665 30 10 IJEE COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1 1521672642 AXZAEFOXOXYDMY-UHFFFAOYSA-N 430.552 4.792 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1 1521674069 VBSUMAOMNCSCBM-HSZRJFAPSA-N 426.507 4.712 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3nc(SC)sc3c2)CCCN1C(=O)OC(C)(C)C 1523655881 JNSIFXQEHZSTTD-NRFANRHFSA-N 431.583 4.750 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OC 1524151680 YUUQYCBDSCKNDC-GXDHUFHOSA-N 438.524 4.937 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(SCCOC)cc2)CCCN1C(=O)OC(C)(C)C 1528953173 CZXVGPGOZRVVJE-MHECFPHRSA-N 448.629 4.948 30 10 IJEE COC(=O)c1sc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)nc1C(C)C 1533010721 AYWNOSCOFVABAU-UHFFFAOYSA-N 435.505 4.756 30 10 IJEE C/C(=C\C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1cccc(C(F)(F)F)c1 1537737518 QXSGJDFTZSGYFJ-NTCAYCPXSA-N 429.442 4.882 30 10 IJEE C#CCOc1cccc(NC(=O)[C@H]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)c1 1537949803 JABPHPORMQJMDW-OAQYLSRUSA-N 426.557 4.845 30 10 IJEE C=CC[C@@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)c1ccccc1 1538504502 SBMASNMHEXHUSY-HXUWFJFHSA-N 431.349 4.592 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(OC)cc1 1539101986 OWJGLDMRVFFPHM-UHFFFAOYSA-N 445.386 4.828 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1539526161 KRWXVMAJGGSMBR-KDURUIRLSA-N 448.583 4.568 30 10 IJEE C=C(Br)Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1539607975 RSWXTFMNNOXPCM-HNNXBMFYSA-N 437.357 4.920 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1539743646 NISGPIPVIFWOAQ-UHFFFAOYSA-N 445.567 4.625 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1OCCC1(C)C 1539945635 SFNTYPUHXPQCQE-NRFANRHFSA-N 426.561 4.672 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCc1cccs1 1540121347 KMCSIYAOGKBOMZ-UHFFFAOYSA-N 428.565 4.652 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCc1ccc(Cl)s1 1540126706 NDHONQVXHCFFIE-SFHVURJKSA-N 428.989 4.932 30 10 IJEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)CC(C)(C)C2)CC1 1544273324 IDLTWZJBOOHHEC-LEWJYISDSA-N 434.632 4.810 30 10 IJEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CCCCC1 1544863052 QZSFTSOKNHQOBX-UHFFFAOYSA-N 438.593 4.837 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(OC)C2CCCC2)c1 1556153031 HUWMZCFJDUSKOU-UHFFFAOYSA-N 448.972 4.668 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2ccccc2F)cs1 1556381978 PCQRPKHIHARSNU-KRWDZBQOSA-N 433.549 4.815 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 1557064010 HGDPSYVUEAMFKF-GGAORHGYSA-N 433.552 4.578 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 1558921893 GCYCLLCDVNRUKM-UHFFFAOYSA-N 429.867 4.828 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2cn(C)c3cc(F)ccc23)cc1OC 1560448264 YCKCAOGTVJIRJR-UHFFFAOYSA-N 447.348 4.986 30 10 IJEE COC(=O)c1cccc2c1CCN(C(=O)Nc1ccc([C@H](C#N)c3ccccc3)cc1)C2 1562174723 AOBFIFWYSRGYNO-XMMPIXPASA-N 425.488 4.719 30 10 IJEE C[S@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1562320292 HVGUHERSQXKDNM-VOXLTAEOSA-N 445.972 4.602 30 10 IJEE C=CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12)[C@H](C)COC 1563487138 XXEORWCHZNAHLA-AUSIDOKSSA-N 434.584 4.598 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(c3ccccc3Cl)CCCCC2)c1 1567098796 OGLCTOMUHQJORW-UHFFFAOYSA-N 443.996 4.769 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 1569299086 REJINURJBZTNDP-QUCCMNQESA-N 431.533 4.550 30 10 IJEE C#CCOc1ccc(CNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 1583105222 FVVZPNIAJKPGEC-UHFFFAOYSA-N 438.483 4.556 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1587738842 JPBYAWZISPGXRZ-XMSQKQJNSA-N 436.581 4.785 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1587777777 QWVMZMQQKWAOFH-HSZRJFAPSA-N 449.624 4.578 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccoc1C 1589442608 BODDFHRBGTVVAP-UHFFFAOYSA-N 445.361 4.920 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCCSC 1589608956 RRPQYQXPAHTNFO-UHFFFAOYSA-N 426.428 4.592 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)OC1CCCC1 1593712024 PHLMXCRGSQFAML-UHFFFAOYSA-N 435.366 4.611 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCCC[C@@H]2CC)CC1 1594012976 AAEPZYBOJREOEM-UNMCSNQZSA-N 441.595 4.978 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1594013202 CSBBCVZQSKDTCW-UUOWRZLLSA-N 428.552 4.655 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1594543621 CSHUUOLURQGFQU-PKTZIBPZSA-N 434.588 4.732 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@](C)(OC)C1CC1)C1CC1 1595025860 AKFXMIMHCNKBIY-NRFANRHFSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CCCN1CCCC[C@@H]1C 1595085513 WSWQCSNACCMHIE-NRFANRHFSA-N 434.632 4.904 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CCCO1 1595148895 BPCUHIXBJOQGNE-NRFANRHFSA-N 429.977 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1 1595148964 DYQAULJDLBMOCK-XMMPIXPASA-N 445.548 4.572 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@](C)(O)C2CCCCC2)C1 1595681424 QWPFREAQMJUSEL-URXFXBBRSA-N 445.007 4.711 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(Br)cs2)C1 1595688610 LQIHIJWOPFKMMM-HNNXBMFYSA-N 449.374 4.500 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCCC)CC1 1595854565 GBDBAOFFDJMGKX-GOSISDBHSA-N 436.025 4.698 30 10 IJEE Cc1ccsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN(C)C(C)C)CC1 1611878509 GJOQEBCNVXRGJJ-UHFFFAOYSA-N 448.640 4.792 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N1CCCCC1 1617868607 FNONDOVQWLOFLS-QFIPXVFZSA-N 446.599 4.904 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)n(Cc2ccco2)c1C 1618195418 BPSJOFHVLUFCFH-LLBVYWAGSA-N 430.552 4.823 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1 1618597777 POJDTRFHUGTWAK-JRPXNJEYSA-N 437.483 4.894 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)c2C#N)C1 1618705441 FLTRGUCYCKMIBJ-LBPRGKRZSA-N 435.471 4.675 30 10 IJEE COc1cccc(C2CCN(S(=O)(=O)c3sc4ccc(C#N)cc4c3C)CC2)c1 1622029671 DGEJGKDTZQIIQT-UHFFFAOYSA-N 426.563 4.658 30 10 IJEE C#Cc1cccc(N(CC)C(=O)c2c[nH]c3c(Cl)cc(Br)cc3c2=O)c1 1627085685 GXPPBDQZAOLEKC-UHFFFAOYSA-N 429.701 4.592 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(COc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C 1628231630 NQTBUVNIFCYDCI-VWLOTQADSA-N 428.573 4.650 30 10 IJEE C[C@H]1CC(=O)Nc2ccc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc2N1 1628918192 IBLOFRWPQQQKNO-AWEZNQCLSA-N 430.439 4.885 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCO[C@H]1CCCc2ccccc21 1629298104 FRVMUEHHTBFHKK-UXHICEINSA-N 436.980 4.623 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O)c1ccc(Br)cc1 1636541271 BMOAKRZQFSQDIS-IBGZPJMESA-N 438.325 4.568 30 10 IJEE C=CC[C@H]1CCN1C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 1640137361 QCKVOXAWYDLUKN-QHCPKHFHSA-N 446.572 4.873 30 10 IJEE C=CCn1c(SCC/C=C\c2cncc(OC)c2)nnc1[C@H]1COc2ccccc2O1 1643490612 CYGNREUTROJUAL-RFFSMVSESA-N 436.537 4.576 30 10 IJEE C#C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1653456049 AHBPDBDUNDIOSS-FNZWTVRRSA-N 444.575 4.954 30 10 IJEE C=C1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)c(Br)c2)CC1 1654044159 GXMSQDDVJVGXLN-UHFFFAOYSA-N 426.307 4.721 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccccc2O[C@H]2CCOC2)cc1OC 1656739141 ZQJSZNQQFAOZDK-INIZCTEOSA-N 434.330 4.802 30 10 IJEE COc1ccc(CCN(Cc2ccccc2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1657180743 FWRVRRAQNNLHGB-HHHXNRCGSA-N 439.559 4.807 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](Cc3ccc4ccccc4c3)C(=O)OC)cc2n1 1664850727 XHOZAVRVLUESCJ-JOCHJYFZSA-N 442.519 4.529 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(F)cc1I)c1ccc(Cl)cc1F 1669629432 BBVJPRLPNOQIDO-AWEZNQCLSA-N 446.622 4.719 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2cc(Cl)ccc2OC2CCCC2)C1 1671024116 GHKAWQRAAMADJW-KSSFIOAISA-N 448.951 4.542 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C(C)(C)C 1671651088 XMXGTEFWHIZFKP-CQSZACIVSA-N 426.357 4.738 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(Cl)c1 1673381200 KGHSVMHTHDIDEC-TZIWHRDSSA-N 448.325 4.986 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)C(CC)CC)cc1 1673392797 HPIYLSOBSKDZAA-JOCHJYFZSA-N 429.586 4.792 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 1675393022 CSQJTSOUWKONRU-KJNZLNQQSA-N 437.987 4.675 30 10 IJEE C=CCCC[C@H](NC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1 1675603602 IIRDYHLVZHZVIF-PMACEKPBSA-N 430.932 4.541 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)cc1C#N 1675656515 CVUJYFRIVGJACQ-AWEZNQCLSA-N 437.475 4.510 30 10 IJEE C#CC[C@@H](NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 1679192103 SJLNCRJVHFYBDS-JOCHJYFZSA-N 429.486 4.687 30 10 IJEE COc1ccc([C@@H](NC(=O)N2CCC[C@@H](CC#N)C2)c2ccccc2Cl)c(OC)c1 1679470192 BUOUNRWKYVBILA-AOMKIAJQSA-N 427.932 4.782 30 10 IJEE C=CCOc1ccc(CNC(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)cc1 1681032529 VDEVWBRPLJTHFM-UHFFFAOYSA-N 431.577 4.620 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 1681465245 NBHDBKGKWNUXGB-QHCPKHFHSA-N 427.976 4.883 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F)c1ccc(Br)cc1 1682356914 PASPBTPVEYPKTF-UYAOXDASSA-N 433.296 4.818 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)cc1 1682560854 ZJIJYXIQHOJCLZ-OAQYLSRUSA-N 427.342 4.816 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2OC)cc1 1682742473 JYUUTOTVZCSOLD-HXUWFJFHSA-N 443.341 4.516 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)cc1 1684582910 AUJBCYGQZJZZHY-KRWDZBQOSA-N 435.549 4.700 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1C)c1ccc(Br)cc1 1686647886 ZDEDDSSJTFNNFO-RDTXWAMCSA-N 431.330 4.509 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1689912813 BDCKCHFSLJTJIH-QFIPXVFZSA-N 448.640 4.633 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1(COC)CCCC1 1689950760 AENWIMFFPWETIL-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)CCOC 1689952341 BPFROGNMNDJLGI-UHFFFAOYSA-N 426.561 4.945 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1C(C)C 1690185316 XGFZHBXUWCUNTR-SFHVURJKSA-N 430.643 4.570 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[C@H](O)C2)CC1 1690406770 RUTOVVMUHUJWLP-ROUUACIJSA-N 445.405 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOC 1690420728 RTRWZPSWVFATKS-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690422380 NAMMDRSKRJGYQA-UXHICEINSA-N 430.980 4.585 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCC)C1 1690451320 DAVLYECTQKFGQG-NRFANRHFSA-N 425.577 4.509 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690451518 IVABSQVHLFIFRD-AQNXPRMDSA-N 429.584 4.832 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 1690456231 AAAKBRFQJRQPEJ-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(N(C)C)CCCC1 1690516372 GWESKYBXQLXXOJ-UHFFFAOYSA-N 432.616 4.849 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccc(F)c(Cl)c1 1690577106 CKARVBZYOUWECP-UHFFFAOYSA-N 440.935 4.830 30 10 IJEE C[C@H](COCc1ccccc1)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1692739078 IFGHOQXRPVFQIN-NIRIFSCTSA-N 437.588 4.503 30 10 IJEE CC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1692862800 GQMTVKBYQUHIGX-UHFFFAOYSA-N 435.601 4.640 30 10 IJEE CCc1nc(CCn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@H](C)C#N)cs1 1694580530 HTXVBRMNOKWPDB-MRXNPFEDSA-N 445.596 4.659 30 10 IJEE CO[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CC#N)CC1)C(C)C 1697152496 FDBANOMHNWFUEG-FXAWDEMLSA-N 441.645 4.932 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1scnc1C 1705509440 ISNDEGBRBGBYQV-UHFFFAOYSA-N 444.402 4.912 30 10 IJEE C#CCCCCn1c(N2C[C@@H]3CCC[C@@]2(C)C3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705521760 KVPPXRYUXAEKRC-PUFAWVJESA-N 441.620 4.621 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(CC)CC(C)C 1705682646 HFYYXVPRFUWDBF-UHFFFAOYSA-N 437.382 4.743 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 1705795982 VXMPOECMOWCOEI-QHCPKHFHSA-N 435.616 4.600 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(NC(C)C)CC1 1705812257 VBVUCBSVHNESAO-OAQYLSRUSA-N 425.621 4.968 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(c2cccc(OC)c2)CC1 1722318992 HKIMBZQUKLXOAB-UHFFFAOYSA-N 449.624 4.830 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1722456578 YAUNLOJXSONCIV-IBGZPJMESA-N 438.641 4.614 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@@H](COC)C1 1722495010 PIMSVNRYZIHYBT-JRFVFWCSSA-N 438.616 4.742 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1SC 1722509365 OTNKHGUBBKCFPQ-SJBKTWHCSA-N 442.629 4.859 30 10 IJEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)CC(C)(C)C1)c1ccccc1 1722593847 BMXDQRHLLVNKLO-RBBKRZOGSA-N 435.616 4.746 30 10 IJEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC=C(C(C)(C)C)CC1)c1ccccc1 1722596104 CFVAIPZIZCLVGO-JOCHJYFZSA-N 447.627 4.943 30 10 IJEE C=CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1722606576 QYCHIBIQRIJNJG-UHFFFAOYSA-N 439.648 4.739 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1722638906 RSVRJPDTJYHCRO-OYRHEFFESA-N 448.615 4.980 30 10 IJEE C=CCN(C)c1nnc(CCCc2ccccc2)n1Cc1sccc1Br 1722647269 FHZYYZPGWBJDHP-UHFFFAOYSA-N 431.403 4.948 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CCn1cc(Cl)cn1 1722656905 LHZZGVLJXFTRBP-UHFFFAOYSA-N 435.963 4.550 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H](C)C1 1722673656 ZIBPVABVVPMPKE-FYYLOGMGSA-N 431.584 4.699 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncccc2C)C1 1722710931 QLEQOTQSQKJSON-FCHUYYIVSA-N 447.583 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCCOC)C1 1722710958 QSGBFHVVJYNYKH-OAHLLOKOSA-N 432.977 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1cccnc1OC1CCCC1 1740536488 HUQAJNYBDNHJSY-KRWDZBQOSA-N 435.959 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1740558471 FKZPJOJFTVVZGM-YTJPUZGESA-N 445.032 4.887 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1740576227 ZOAHUGWKCBDLHD-UXHICEINSA-N 445.652 4.800 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1740583479 PRMWMUDNQHMVJI-OALUTQOASA-N 445.405 4.761 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](CCC)C1 1740710715 AVSDSQYJFBJIIG-IBGZPJMESA-N 444.670 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCSC1(C)C 1740727761 YMOLOTFNJITWNJ-VBKZILBWSA-N 448.434 4.560 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)c1cccs1 1740728254 SJHNPTAWAIFSRZ-YADHBBJMSA-N 444.963 4.699 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N[C@H](C)CC 1740770423 ROEOFSDXPBXJKT-OAHLLOKOSA-N 438.403 4.959 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1C1CC1 1740775366 XXPZAUASIFDFAT-QFIPXVFZSA-N 428.024 4.942 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(Cl)cc1OC 1740776028 NXNXKCUUEPQBJP-UHFFFAOYSA-N 431.993 4.747 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(F)cn2)CC1 1740835334 DXPDWPVSPZKUCQ-UHFFFAOYSA-N 442.336 4.692 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740848911 UJBCJTRDYHRPEC-IBGZPJMESA-N 427.549 4.708 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 1740866022 XWUBURWQVJFCKR-OAHLLOKOSA-N 439.423 4.989 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN(C(C)C)C(C)C 1740894153 KRMLHEQOJYVSTO-UHFFFAOYSA-N 426.428 4.510 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)CN1CCCC1 1740904732 VMUCCAVTBDAUKS-UHFFFAOYSA-N 434.053 4.968 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC[C@@H](C)N1CCCCC1 1740918576 MGBSAGUKUMXYMG-ISKFKSNPSA-N 437.632 4.977 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1740921253 OMYMWGPUYIIRDD-RTWAWAEBSA-N 427.612 4.929 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1740933293 NBCXDWBTBALXRV-UHFFFAOYSA-N 442.611 4.727 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N(C)[C@@H]2CCCc3c2cnn3C)cc1 1740966580 UGIVZFSXXFUGNV-XMSQKQJNSA-N 434.588 4.652 30 10 IJEE C=CCOc1ccccc1Cn1c(CC2CCCC2)nnc1N(C)Cc1c(C)noc1C 1740970791 CUWZIBGSCTXBHY-UHFFFAOYSA-N 435.572 4.865 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1cccs1 1741004158 QOTZQEJIFBBFAM-KRWDZBQOSA-N 431.656 4.956 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)s1 1744415131 ADMZFOSHBGQTJT-KRWDZBQOSA-N 438.626 4.615 30 10 IJEE C#CCCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)C1CCN(CCC)CC1 1748706551 MHKPTVNIUDODJP-UHFFFAOYSA-N 430.600 4.607 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC2(CCCC2)C1 1749028583 CFUGFZRMKAAEHN-UHFFFAOYSA-N 445.430 4.845 30 10 IJEE C#CCSCCn1c(N2CCCC[C@H](SC)C2)nnc1C1(c2ccccc2)CCC1 1749048442 NYWQDFOPDLQEMJ-NRFANRHFSA-N 440.682 4.836 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC2(CCC2)C[C@H]1CC 1749092519 ZGXSEXHDDBBRSM-GOSISDBHSA-N 426.362 4.884 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(CC)C1CC1 1749123236 CGKCYYZWYBYYQD-DNVCBOLYSA-N 431.378 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCn1ccnc1C 1749143354 HJIUQELQMPVRJK-QGZVFWFLSA-N 428.968 4.679 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749209051 KVNXZBDBZVBNLF-OAGGEKHMSA-N 443.514 4.561 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ccc(F)cn2)CC1 1749311260 KOWFTFIVOQSJPD-UHFFFAOYSA-N 429.952 4.963 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749402821 SRFCJUVUFDDBJJ-VQTJNVASSA-N 447.624 4.712 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1cccs1 1749459290 FDAWOJBNNAUYIC-GOSISDBHSA-N 429.615 4.630 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCOC[C@@H]1C 1749464792 DYPFNRMDIBEYPI-GBESFXJTSA-N 432.996 4.983 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCOC[C@@H]1C 1749499295 TWOWHAUGORBYCN-OALUTQOASA-N 432.996 4.546 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2CC(OCC)C2)C1 1749703451 ITLORVBQBNETAB-JLAWEPINSA-N 430.980 4.585 30 10 IJEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2sccc2[C@@H]1CC 1760129559 RHVVZGALHQXWNO-IBGZPJMESA-N 427.618 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC1(CCOCC)CCC1 1760295377 DVRMSFVHQBFJAA-XMMPIXPASA-N 442.554 4.736 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)OC1CCCC1 1760302824 RAGYBJTUKCWJHM-UHFFFAOYSA-N 441.757 4.826 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)CN1CCCCC1 1760340132 KYQINDCGOMIMRH-YPAWHYETSA-N 431.669 4.721 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(OC2CCCC2)CC1 1760379584 ADFQVSPBEYROHT-UHFFFAOYSA-N 434.943 4.677 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)COCC)CC1 1760383289 MDXFNMFEKCFLNZ-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCS2)CC1 1760405838 JBYVWQOZVAZISM-MOPGFXCFSA-N 447.649 4.648 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760432669 RISYFXVEXDUEPT-UHFFFAOYSA-N 429.996 4.648 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCSC 1760440478 KRDFHQXDJYQRTB-UHFFFAOYSA-N 437.654 4.548 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCNC(=O)c1cccs1 1760481291 SHMWUGOTQNQKOV-UHFFFAOYSA-N 435.597 4.620 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@H]1CCO[C@H](C)C1 1760486090 CISUEKTUSKAMFU-MOPGFXCFSA-N 425.602 4.743 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC)CCC1 1760494627 QTHNDLNQHMESRJ-UHFFFAOYSA-N 446.599 4.995 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CC[C@@H](C)C2)C1 1760538033 VJZAMTYONBGDIQ-SFHLNBCPSA-N 440.588 4.570 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(C)OCCc2sccc21 1761358894 IBMOHWCHFKFLLQ-QRQCRPRQSA-N 441.988 4.886 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(COC)CC2)on1 1762176912 HBQHEAOUNHKKAW-UHFFFAOYSA-N 448.571 4.619 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H](C)CC#N 1762845353 DCEINYNKCHHDAP-MBOZVWFJSA-N 447.530 4.880 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCO[C@@H]1CCCC[C@H]1C)C(C)C 1766509949 CUEGKWGKSXJSKH-DENIHFKCSA-N 425.577 4.559 30 10 IJEE Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2cccc(C#N)c2)c1 1858841036 DTZYIKWCYLNNHW-KRWDZBQOSA-N 429.480 4.620 30 10 IJEE CCc1cc(Br)cc2c1O[C@]1(C=C2)CCN(c2ncc3c(c2C#N)CCC3)C1 1859827887 AADZVJVTZPKZKF-HSZRJFAPSA-N 436.353 4.822 30 10 IJEE COc1cc(/C=N/NC(=S)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 1860499483 NZCHHSQFDHHGHK-FJFLDLAXSA-N 437.609 4.897 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1 1862380371 AUZMZFRNTYWUGA-LJQANCHMSA-N 431.319 4.800 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2ccccc2Br)cc1C 1862409570 OFYVRPQUUCZIHX-IBGZPJMESA-N 444.325 4.753 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1F 1862417561 UNAWECJPHPCGLN-LJQANCHMSA-N 429.806 4.990 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1c(Cl)cccc1Cl 1862509054 WETQPSFJLBCHGN-GOSISDBHSA-N 438.282 4.666 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862574615 RQWPLTSIBHXCNS-QFIPXVFZSA-N 435.520 4.766 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(O)c2)cc1 1862661309 DABQAAORUQPKHX-QHCPKHFHSA-N 428.488 4.689 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)ccc1O 1862677707 JMGRHQWVQBGWHP-VELBRHGASA-N 439.483 4.697 30 10 IJEE CN(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccs2)cc1 1862677782 GGXGLBBYHZVURR-NRFANRHFSA-N 436.508 4.732 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 1862747633 UCOAJVKVRFRBPX-QFIPXVFZSA-N 448.475 4.769 30 10 IJEE COc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2cccc(C#N)c2)c2ccccc2)C(C)C)cc1 1866981242 VNIMBZRHRZJTCF-JWQCQUIFSA-N 441.531 4.803 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(F)cc2)cc1 1870141474 SREAACKLDZQLGH-OVCLIPMQSA-N 433.487 4.889 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CNc1ccc(C)cc1 1871191418 WZXLZWBKEHQVHS-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE Cc1cc(OC(=O)Cc2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871371621 ABMNKODSWHRNHY-NHDPSOOVSA-N 433.391 4.807 30 10 IJEE COc1ccc(CC(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1OC 1871374427 JWSXJNSEQPCYOV-CFRMEGHHSA-N 430.456 4.777 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Br)cc1)S(=O)(=O)CCCC 1871749250 YRTCIGVSFWXCOA-GOSISDBHSA-N 445.423 4.564 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1ccc(OCC)cc1 1871754159 PJHHBHQQUNYDBH-QHCPKHFHSA-N 444.597 4.624 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 1872532581 KTUSAYHCORROSS-NRFANRHFSA-N 434.989 4.941 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc2c(NCC)ncnc21 1873613510 HTMIVCKJMFUVQM-UHFFFAOYSA-N 427.508 4.880 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(F)c2)cc2c(NCCCCN(CC)CC)ncnc21 1873630069 IDHKYCSZTHGJQA-UHFFFAOYSA-N 438.551 4.543 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C)ccc2C)cc2c(NCc3ccc(O)cc3)ncnc21 1873641392 PQNQMRJBPOGRHD-UHFFFAOYSA-N 427.508 4.804 30 10 IJEE CCSc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874244202 SUQAGIWYGKFDES-YDZHTSKRSA-N 441.557 4.645 30 10 IJEE OCCCSc1nnc(CCc2ccc(Cl)cc2)n1/N=C/c1c[nH]c2ccccc12 1874284774 XSGUDTHYLKFLTK-MFKUBSTISA-N 439.972 4.555 30 10 IJEE CCSc1nnc(COc2c(C)cccc2C)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874299594 IZAKNGAYSDOVTL-FOKLQQMPSA-N 446.960 4.836 30 10 IJEE C=C(C)CSc1nnc(CCc2cccc(OC)c2)n1/N=C/c1ccccc1[N+](=O)[O-] 1874310391 SWVNYPWESGQUFG-OEAKJJBVSA-N 437.525 4.531 30 10 IJEE CCCOc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCCCO)cc1 1874359120 PQAPPNWPKFVNJK-KOEQRZSOSA-N 438.597 4.631 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccc(F)cc1)c1ccccc1 1874468383 GFSHTVTWLWYYTD-MMDHUZEPSA-N 449.511 4.529 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1/N=C/c1cccc(O)c1 1874477988 NGSPNDYTKTYOBX-BUVRLJJBSA-N 437.569 4.502 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1c[nH]c2ccccc12 1874503611 QYQVKOXXOSIXGK-AFUMVMLFSA-N 432.553 4.633 30 10 IJEE CCCOc1cccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccccc2CC)c1 1874530269 ZVLOIFWUDSVUJP-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2Cc2ccccc2)c1OCc1ccccc1 1874558869 DQDWPXVNKDTUNC-PCLIKHOPSA-N 430.533 4.627 30 10 IJEE COc1ccc(/C=N/n2c(S)nnc2CCc2ccc(C)c(C)c2)cc1Br 1874564933 YHYUFPVAXKPABC-WSDLNYQXSA-N 445.386 4.622 30 10 IJEE Sc1nnc(CC23CC4CC(CC(C4)C2)C3)n1/N=C/c1ccc(Br)cc1 1874567445 XRIOBVVMYXVEGJ-WSDLNYQXSA-N 431.403 4.970 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OC 1874572048 UFASDEPKMTUAME-ACCUITESSA-N 431.488 4.926 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1c(F)cccc1Cl 1874651878 YISMKQBVSHVMJF-OAQYLSRUSA-N 439.918 4.502 30 10 IJEE COc1cc(Br)c(/C=C/C(=O)c2cc(C)ccc2OC)cc1OC(=O)C1CC1 1874704454 PQEKZDDWXNFZBD-BQYQJAHWSA-N 445.309 4.986 30 10 IJEE COCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2cc(C)ccc2C)cc1OC 1875140353 BNSVIWFWBVTLEO-BQYQJAHWSA-N 447.325 4.913 30 10 IJEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(NCc3ccccc3C)ncnc21 1875230392 XTDNKXWRHJLQFP-UHFFFAOYSA-N 437.547 4.736 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1cccc(Br)c1 1891262579 UNNNYDYKEMHPKO-UHFFFAOYSA-N 427.220 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C[C@]2(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 1949108843 GVUQBTOSHJCLGH-OMXJDXKCSA-N 431.508 4.859 30 10 IJEE CC(C)(S)[C@@H](CC(F)(F)C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1952681311 WABHPXXLZJQYHD-GOSISDBHSA-N 435.492 4.712 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)C1(OC)CCCC1 2004927466 NCXOIOOPJXKUNC-VXKWHMMOSA-N 432.605 4.590 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1Cl)NC 2028851856 UJVNTXCQXSDQGK-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)c1ccc(NC(=O)OC(C)(C)C)nc1 2050056520 GMFSUORNEVXYJJ-XZOQPEGZSA-N 441.572 4.603 30 10 IJEE CC(=O)Oc1c(I)cc(Cc2c(Cl)cccc2Cl)cc1C#N 2060392678 SVHDWODNOJFLIP-UHFFFAOYSA-N 446.071 4.986 30 10 IJEE CCc1nn([C@H](c2ccc(C(C)C)cc2)C2CC2)c(I)c1C=NO 2079904739 SVJJNWAUCSTTPR-GOSISDBHSA-N 437.325 4.981 30 10 IJEE CCOP(=O)(OCC)c1cn(-c2cc(C(F)(F)F)ccc2F)nc1C(F)(F)F 2080380045 OEAASWGUKGWKEX-UHFFFAOYSA-N 434.248 4.940 30 10 IJEE N#Cc1cnc2c(-c3cc(F)c(F)cc3Br)c(C3CCCCC3)nn2c1N 2081507228 UZKKZYBFDKKXTN-UHFFFAOYSA-N 432.272 4.939 30 10 IJEE CCOC(=O)c1cccc(COC(=O)c2cccc(Oc3cccc(C#N)c3C#N)c2)c1 2087935038 MQKFZUFHQOBTJJ-UHFFFAOYSA-N 426.428 4.756 30 10 IJEE CN(CCN(CCCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1)Cc1ccccc1 2095947303 MPKKUSPSCJWKCU-UHFFFAOYSA-N 440.591 4.911 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(OCCNc2cc(Br)cnc2C#N)cc1 2167616303 IIMYCVIZFHCTLP-UHFFFAOYSA-N 433.306 4.554 30 10 IJEE CC1(C)OB(c2ccc(CN[C@H]3CCN(Cc4ccccc4)C4(CCC4)C3)cc2)OC1(C)C 2173426867 IHSICVLCBWIJIY-VWLOTQADSA-N 446.444 4.663 30 10 IJEE C[C@@H](CCC[C@@H](C)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 2181048217 RGXPXASOOUXMRU-UONOGXRCSA-N 438.366 4.979 30 10 IJEE CCC1(C#N)CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)CC1 2182941871 AQZXPIAWPPDPPP-UHFFFAOYSA-N 436.350 4.952 30 10 IJEE C#CC[C@H](CC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196834031 SDMKCXGEZVGTBU-IEBWSBKVSA-N 434.374 4.894 30 10 IJEE CCCc1ccc(C#C[C@@H](O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223334284 UZFSZGKKLWORDX-LOSJGSFVSA-N 437.580 4.852 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H](C#Cc2ccccc2Br)NC)C1 2235723100 BFAFLZJQZWRWHD-UXPWSPDFSA-N 435.406 4.814 30 10 IJEE CCCC1([C@@H](O)C#Cc2ccccc2Br)CCN(C(=O)OC(C)(C)C)CC1 2235730752 KSAPXQXLFWCYRS-IBGZPJMESA-N 436.390 4.979 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2235734480 WNMBGIXDPKBDIW-SCTDSRPQSA-N 435.406 4.718 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@H]1CC2(CCC2)CN1C(=O)OC(C)(C)C 2235745198 BJFWUHBQPKTJJQ-RBUKOAKNSA-N 433.390 4.568 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)N(Cc2ccccc2)Cc2cccs2)OC1(C)C 2247865517 WHLPVMZLNSCJGR-UHFFFAOYSA-N 439.411 4.951 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1 2255617503 VNPGXXBPLGXTJS-ZTFGCOKTSA-N 430.354 4.693 30 10 IJEE Cc1cc(OCc2ccccc2)ccc1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267492295 QSMTYOMSFFEKRJ-UHFFFAOYSA-N 433.313 4.719 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2267580803 KGOSPIHNUOBOEM-MSOLQXFVSA-N 444.381 4.867 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](N)(C#Cc2cccc(Br)c2)C[C@H]2CCCC[C@@H]21 2296231677 GYGFNDDMDWUSSZ-LZNRXBQRSA-N 433.390 4.698 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@]1(CNC(=O)OC(C)(C)C)C[C@@H]1C 2296275307 YYUBNELNEHUQNB-NBCNXNJRSA-N 435.406 4.720 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H](C)C[C@H](C)CN1C(=O)OC(C)(C)C 2296280907 FPVFKTYYZGRRPS-FIYPYCPBSA-N 435.406 4.670 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@]1(C)C=CCCN1C(=O)OC(C)(C)C 2296294743 XKOFMQNOWKQRTH-SIKLNZKXSA-N 433.390 4.734 30 10 IJEE CCc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 2296936132 BNKGMXORMSBJJE-CTNGQTDRSA-N 425.912 4.503 30 10 IJEE CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(N(C)C)cc2)C1=O 2297307131 UFAZGRBOYYUBNS-UHFFFAOYSA-N 428.941 4.950 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc4c3[C@@H](c3ccsc3)CC(=O)O4)C2=O)cc1 2297591497 XDPCXWDGXPEYRK-QGZVFWFLSA-N 432.453 4.592 30 10 IJEE CCCCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(C)cc2)cc1C 2297747359 SQAGYTUMVQYGMZ-QHCPKHFHSA-N 437.536 4.550 30 10 IJEE COCCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 2297748270 OHZJRFPOAVXLMJ-OSPHWJPCSA-N 449.547 4.592 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC12CCN(C(=O)OC(C)(C)C)CC2 2306521784 MLWBLZFHZNDTGZ-VWLOTQADSA-N 428.573 4.699 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2308473989 WAUMXIBEPACZOX-WVCKHHOPSA-N 443.544 4.728 30 10 IJEE Cc1ccc(N=C2NC(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)S2)cc1 2313556267 TZEHUPGTQJHWEZ-UHFFFAOYSA-N 431.517 4.992 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2cn(C)c3ccccc23)o1 2320845739 XEZRFVNVWQYPJI-UHFFFAOYSA-N 449.536 4.591 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2N=Cc2ccccc2Cl)cc1 2320956323 OIZWVBDKLLGOPW-UHFFFAOYSA-N 427.961 4.669 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(CCc1nc3ccccc3[nH]1)CO2 2322172180 PXLAZKDNCDFALW-UHFFFAOYSA-N 443.528 4.944 30 10 IJEE CCn1cc(C=C2Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c2cc(OC)ccc21 2322350171 MGXPCDZWJJIVCZ-UHFFFAOYSA-N 430.504 4.909 30 10 IJEE C[C@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 2322667296 CLIXADDXESKNIH-IBGZPJMESA-N 443.499 4.610 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(NC(C)=O)c3)cc(C)c2C1=O 2322961386 GQHOBMPURQVQLU-UHFFFAOYSA-N 443.455 4.797 30 10 IJEE CCn1c(C)c(C=NNc2cnn(-c3ccc(OC)cc3)c(=O)c2Cl)c2ccccc21 2323231370 ORKRZMJRSIGPGN-UHFFFAOYSA-N 435.915 4.624 30 10 IJEE CCOC(=O)c1sc(NN=Cc2cc(Cl)c(OC(C)C)c(OCC)c2)nc1C 2323874487 UZWHEUCCMGEFFI-UHFFFAOYSA-N 425.938 4.914 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)c1 2324077430 BXULUMVTTHNEAW-UHFFFAOYSA-N 445.515 4.966 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1cccc(OC(=O)c2cnccn2)c1 2325756370 JVTLDAKYPMZTEQ-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE CCCOc1ccc(C=Nn2cnnc2SCc2cc(C)ccc2C)cc1[N+](=O)[O-] 2326589223 SAEKLHITFJODTH-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2329120811 VTFMVGAPNROWRI-UHFFFAOYSA-N 428.945 4.678 30 10 IJEE CSCC[C@H](NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1)C(=O)Nc1cccc(C#N)c1 2329611352 WMBZRJTXLBMOBV-DEOSSOPVSA-N 447.604 4.845 30 10 IJEE C=C(C)CSc1nnc(Cc2cccs2)n1N=Cc1ccc(OCC)c(OC)c1 2330389679 GXAMZOBEOVSWNZ-UHFFFAOYSA-N 428.583 4.888 30 10 IJEE CCOc1c(Br)cc(C=Nn2c(SC)nnc2C2CCCC2)cc1OC 2331016323 RKUZTRAMPHUVFJ-UHFFFAOYSA-N 439.379 4.710 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N=Cc2cccc(F)c2)cc1 2331184877 YSSJWGKZYXEOAN-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC(=O)C1CC1 2331389192 CPFLYRCUSWDYPP-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331418285 NQWNYQCTFPRJPT-UHFFFAOYSA-N 442.416 4.626 30 10 IJEE O=C(CCc1ccccc1)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2331441040 PJRIAHJIBFCAIC-UHFFFAOYSA-N 445.427 4.758 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2cccc(C)c2)o1 2331450942 VDUOCJVIRDSLQI-UHFFFAOYSA-N 426.542 4.729 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN(CC=Cc4ccccc4)CC3)c2)cc1 2331954784 KSVCAOYBHHBBTR-UHFFFAOYSA-N 437.543 4.608 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2c(F)cccc2Br)OC1(C)C 2339400515 CFYRPRDJSOUTEG-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE Cc1cccc(NCc2ccc(I)c(Br)c2)c1C#N 2349843734 YHZVKJZJDVGLON-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2358670766 AXBONCJWGIZQDA-POAQFYNOSA-N 435.406 4.814 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cc3c(cc2Cl)OCO3)C1=O 1162813 JQTSPVLWPOICJS-RQZCQDPDSA-N 429.881 4.612 30 10 IJEE CCCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)OCC)C3)c1 9347630 PXDBGWZCLYGCGA-UHFFFAOYSA-N 441.553 4.956 30 10 IJEE CCOC(=O)N1CCc2c(sc(NC(=O)CCCSc3ccc(C)cc3)c2C#N)C1 9473902 VEYBKFLSDURGQK-UHFFFAOYSA-N 443.594 4.954 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1ccc(C)cc1 10146235 GGAMEXKYKZDTNC-MRXNPFEDSA-N 435.553 4.517 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1nc2ccccc2s1 20834095 VKXYMMDYWNOYBF-BBUOLYQXSA-N 449.565 4.646 30 10 IJEE C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCc3sccc3[C@H]2C)c1=S 23854537 DCMRYTADZBPRBV-BEFAXECRSA-N 440.594 4.751 30 10 IJEE Cc1nn(C)c(C)c1CN/C(=N/C(=O)c1cccc(Cl)c1)Nc1ccc(F)c(Cl)c1 32972357 YEXSKVTXEVIKNG-UHFFFAOYSA-N 448.329 4.881 30 10 IJEE Cc1cc(OCC(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)ccc1Cl 38623097 BABQVFRTMKLZIN-INIZCTEOSA-N 436.895 4.567 30 10 IJEE Cc1cc(C)c2c(C)c(C(=O)c3c(C)c(C#N)c(=O)n(Cc4ccc(F)cc4)c3O)oc2c1 38624025 FXQFANKLWXHFLA-UHFFFAOYSA-N 444.462 4.824 30 10 IJEE CCOc1ccc(/N=N/c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)c([N+](=O)[O-])c1 39871221 YFPAYVXLDBERFS-WCWDXBQESA-N 425.445 4.962 30 10 IJEE C=CCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1 64657014 RXEFOLRJKPGJOW-LJQANCHMSA-N 439.558 4.928 30 10 IJEE C=CCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1 66064660 YPMFUYGLMNUIOP-UHFFFAOYSA-N 429.520 4.873 30 10 IJEE CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 100244843 WGOUJWFHCCEGJN-GOTYSUTNSA-N 431.945 4.637 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 111039145 HTMVEBWAZCKKAF-HNNXBMFYSA-N 439.922 4.632 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccccc2O)cc1 169923779 ATYCLNDMFSYHOB-HSZRJFAPSA-N 441.439 4.930 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(O)cc2)cc1 169963343 XCDXXQNQOMOPEI-QHCPKHFHSA-N 436.423 4.793 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccc(C)c2)c1 169966206 OBEVUXHUPZSERB-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccncc2)c1 170202816 JXVZXJQGXYASCX-BXKMTCNYSA-N 440.499 4.805 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccncc2)cc1C 170204567 YIJRSECHVVPAGL-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)c1 170227683 JMFXNGFCADTYIO-QHCPKHFHSA-N 429.472 4.882 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 170242597 DDPXBPYVBGCQCW-SFHVURJKSA-N 438.282 4.747 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccco1 170285714 INWFSXJTVTUFOQ-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2sccc2C)cc1 170315266 QLWQCWUUKWGRGB-HXUWFJFHSA-N 433.485 4.877 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)cc1 170428091 FEVXFLYPTRSXHL-IBGZPJMESA-N 433.426 4.835 30 10 IJEE N#C[C@H](C(=O)c1cc(I)ccc1Br)c1cccc(F)c1 236243120 SXLHCLRHQZQMOA-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE C=CCN(C[C@@H](Cc1c(F)ccc(Br)c1F)NCC)C(=O)OC(C)(C)C 407328575 GWCCRANEUMBTTO-CYBMUJFWSA-N 433.337 4.671 30 10 IJEE N#CC1CCC(CNC(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)CC1 441134628 KHRZTVMHLUXEAX-UHFFFAOYSA-N 441.373 4.573 30 10 IJEE N#Cc1cccc(NC(=O)C(=O)Nc2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1 441663986 HAXBAOHOUXITKS-UHFFFAOYSA-N 425.366 4.947 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 475574794 XLHJVMHUIIXGBT-UHFFFAOYSA-N 443.613 4.889 30 10 IJEE Cc1cc(C)nc(-n2nc(C(=O)[C@H](C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2C)n1 490721219 RFULPKMLJXGKBF-KRWDZBQOSA-N 448.939 4.855 30 10 IJEE N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(OC(F)(F)F)cc1 530876763 KWCYOTXCVSMCLA-JYJNAYRXSA-N 444.331 4.968 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(OCC(C)C)CC1 555221052 XAFDVHOXLSFWHM-UHFFFAOYSA-N 430.618 4.797 30 10 IJEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 555240210 DUVYIIQNIVWLEL-LFBFJMOVSA-N 447.627 4.553 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(c2nccs2)CC1 559030087 YAJPEEOSBDJJPO-INIZCTEOSA-N 427.549 4.974 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)o2)cc1 570011498 ZQKABGRZSQVCIG-UHFFFAOYSA-N 441.491 4.596 30 10 IJEE N#Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(c2cccc(F)c2)[C@H]3c2ccccc2)cc1 581800104 DMSGTEVITJYGNN-DEOSSOPVSA-N 439.490 4.708 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)NCCc3ccccc3)CC2)c1 586097283 CFXVPZIDLYWLGT-UHFFFAOYSA-N 448.611 4.671 30 10 IJEE COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(F)c1 586257671 JCRIDVRCNFBFCE-UHFFFAOYSA-N 430.888 4.755 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 589322157 OMTDRIXGSHYMQB-VJTSUQJLSA-N 432.564 4.683 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)o1 598948354 CGYYTLNFSDNVGN-HNNXBMFYSA-N 425.485 4.917 30 10 IJEE N#Cc1cc(NC(=O)N2CC([C@@H]3CCOC3)C2)ccc1Oc1ccc(C(F)(F)F)cc1 619321608 HWEDHNVDYNSXNU-CQSZACIVSA-N 431.414 4.870 30 10 IJEE C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 670202171 ZZFCMJFCWNMHNU-QFIPXVFZSA-N 434.588 4.650 30 10 IJEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 670212325 URZIEZMVTZMYGY-INIZCTEOSA-N 434.466 4.788 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1c(Br)cncc1Br 698967582 JZRZLWUPUQZHDK-GFCCVEGCSA-N 433.144 4.818 30 10 IJEE C#CCOc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc3ccccc23)cc1 732487066 LEPOYIMSYZNWEP-AREMUKBSSA-N 434.495 4.696 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 735338823 ARLDGAUNQMWQAS-UHFFFAOYSA-N 427.884 4.569 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)c(O)c1 741042402 MAIHYTDDORVOHQ-UHFFFAOYSA-N 432.860 4.652 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 744840115 MPOKNTOOGFNDPD-BFUOFWGJSA-N 435.307 4.839 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 749672404 QXPAJTWUVQHFFD-UIOOFZCWSA-N 446.510 4.581 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cncc(-c2ccc(OC)cc2)c1 757876513 WVUXCIPQUWJKQP-QHCPKHFHSA-N 427.504 4.843 30 10 IJEE C#CC[C@H](NC(=O)CC/C(C)=C\Cc1c(O)c2c(c(C)c1OC)COC2=O)c1ccccc1 760853712 NYOGKZRJKIEOLF-SJAXDAAESA-N 447.531 4.529 30 10 IJEE C=CCn1c(-c2cccs2)nn(CN2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S 765031446 BMGGPJMPSDHDNW-YJBOKZPZSA-N 430.574 4.887 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(CC2CC2)C(=O)N[C@@H]1c1ncc(C(F)(F)F)s1 788476266 PPTXQIFNKOFHSM-INIZCTEOSA-N 439.434 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2CC1 788760472 HWNKLVHPNGUKAM-UHFFFAOYSA-N 449.551 4.957 30 10 IJEE C=CCOC(=O)N1CCC(OC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC1 790845166 JVGATZRQXVXUPY-UHFFFAOYSA-N 442.459 4.578 30 10 IJEE CC(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 802676134 HDRQJCKXTYMDDF-DEOSSOPVSA-N 440.551 4.542 30 10 IJEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)NCc1ccc(C#N)c(Cl)c1)C2 803244421 DVYXEBASTIKIDL-MQFISKJYSA-N 431.964 4.547 30 10 IJEE CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2cn(CCC#N)c3ccccc23)CC1 1086834190 DCHIJVMUAUGDSN-YFHOEESVSA-N 447.970 4.612 30 10 IJEE CCc1c(Br)cc(C(=O)N(C)Cc2cccc(C#N)c2)cc1Br 1124856193 AUJGYUFKJLMGMN-UHFFFAOYSA-N 436.147 4.918 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1ccccc1 1127384363 QFMSYWXSVWVUEO-WMZHIEFXSA-N 426.582 4.687 30 10 IJEE CCc1ccc([C@H](C#N)N(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)cc1 1129491266 CZWTZVGWFBIRNF-QHCPKHFHSA-N 431.540 4.516 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1129702891 PIJIRYMRQCEVJN-QWHCGFSZSA-N 427.339 4.502 30 10 IJEE C=CCc1cc(C(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)cc(OC)c1OC 1133599997 XGEWHYLVOAOGFA-VJBMBRPKSA-N 449.547 4.559 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1 1136340816 FPTICMVSWSUCIE-UHFFFAOYSA-N 428.532 4.762 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 1136606801 RBNHGJGMSDGXHF-SFHVURJKSA-N 430.936 4.724 30 10 IJEE C=C(Cl)CNC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1136864956 BUORLJFYJQZEKL-QFIPXVFZSA-N 426.944 4.809 30 10 IJEE C=CC[C@@H](CO)CNC(=O)c1cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2s1 1137919864 XZPUDCNYHYYDJV-CYBMUJFWSA-N 438.380 4.676 30 10 IJEE C=CCC[C@@H](NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)C(=O)OCC 1140925168 ASSGQERNXOCCRA-UXHICEINSA-N 446.341 4.583 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCc1cc2ccccc2nc1O 1161335303 GARPDKOVDRDOPU-UHFFFAOYSA-N 427.298 4.839 30 10 IJEE C=CCn1c(SCc2noc(-c3c(F)cccc3Cl)n2)nnc1-c1ccccn1 1165794910 OSYDGNNRNFETDM-UHFFFAOYSA-N 428.880 4.661 30 10 IJEE C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2Cl)nnc1-c1ccncc1 1188915386 KSTGACCKDSVHAP-HNNXBMFYSA-N 427.961 4.997 30 10 IJEE Cc1cc(NC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)c(C#N)cc1N(C)C 1205941892 HQIJRTMGDFWQPN-CQSZACIVSA-N 447.402 4.998 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 1214911806 FXVPCWGUGLEQBV-FQEVSTJZSA-N 448.350 4.663 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1 1215253592 DVOHUNMWZKCPRQ-UHFFFAOYSA-N 448.914 4.584 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 1216884517 SRBPQBFRYOQSNW-FQEVSTJZSA-N 435.568 4.511 30 10 IJEE Cc1ccc(F)c(Br)c1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1218457848 DKRSKWOIGIXYGG-UHFFFAOYSA-N 431.309 4.559 30 10 IJEE N#CC[C@H]1CCCN(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1219446857 CQVDXQMJTURLRL-GFCCVEGCSA-N 439.356 4.726 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(/C=C\C(=O)OCC)cc1)c1ccc(Br)cc1 1219902477 HLXDEAIGBYUZMN-MWNFOORISA-N 427.298 4.521 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1)c1ccc(Br)cc1 1252458758 MEYISOCSPBVCRH-BDTNDASRSA-N 449.352 4.548 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 1275700438 XHKUZBHYPBFZPK-NRFANRHFSA-N 426.516 4.520 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1C1CCCCC1 1286301347 KPAAFALIZCRLEO-LADGPHEKSA-N 449.643 4.729 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1C[C@H](c1ccccc1Cl)N(C)C 1286525118 IMQMWXKHBLIKSW-ZJSXRUAMSA-N 426.008 4.884 30 10 IJEE C=C(Br)Cn1c(CC2CC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 1286543895 CGPULIGDHRLQSR-UHFFFAOYSA-N 429.284 4.794 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)CC1 1286548961 CSXUNDVUHUGPFB-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(Br)cc2)CC1 1286664649 ZXWBRHBNNKPEBN-HXUWFJFHSA-N 445.405 4.927 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1286664874 KKOCJHXRIHYFTQ-NFBKMPQASA-N 426.605 4.937 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1ncnn1CC(F)F 1286667539 LFGMBDQCIBHOMK-UHFFFAOYSA-N 449.937 4.694 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](CCOC)C1 1286668049 PCUVJFVQWMIYHM-OAHLLOKOSA-N 436.398 4.501 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286695363 VJWLJIDBNQINMF-XLIONFOSSA-N 438.551 4.771 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C)COC1)C1CC1 1286734749 HCPYANMNIBKCHU-UHFFFAOYSA-N 437.769 4.552 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(F)ccc1OC 1286761243 YUTRPUOKVZUPLB-TZIWHRDSSA-N 428.552 4.571 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1286822493 DVIADBHNIKJXCQ-INIZCTEOSA-N 431.993 4.731 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2cccc3ccccc23)CC1 1293136107 CJIODWYVTRJPOQ-QHCPKHFHSA-N 448.364 4.554 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)OCC 1298021608 SPBWNPOGQJJDEX-FQEVSTJZSA-N 438.528 4.517 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SCC)C1 1300371534 GIJHEMARNPLDFG-JOCHJYFZSA-N 437.613 4.644 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CCCNc1ccccn1 1300641598 CTSYIPTVTYORNT-UHFFFAOYSA-N 444.514 4.523 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N(C)C1CCCCC1 1300897085 NYNJSYOOIKIYOY-NTKDMRAZSA-N 440.588 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1CCN1CCC(C)CC1 1300905428 QMOVBMGRMZFFKG-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301150850 CFUNRNDYFOIKPU-UHFFFAOYSA-N 437.632 4.740 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1Cc1c(CC)noc1C 1301351218 MTVRMJWEZBTBPJ-UHFFFAOYSA-N 432.503 4.579 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CCCN1CCCCCC1=O 1301359800 PJAHVSGJHRGIER-UHFFFAOYSA-N 449.624 4.992 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)cc1 1301526580 PARVYZDOTYSHBD-OFNKIYASSA-N 431.584 4.892 30 10 IJEE Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)s1 1304641781 HFRDCCNHZAEXIY-UHFFFAOYSA-N 444.967 4.794 30 10 IJEE CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1307494436 HOEBURSGHIXVTG-PMACEKPBSA-N 428.577 4.649 30 10 IJEE Cn1cc(CN2CCc3c(Cl)ccc(Br)c3C2)c(-c2ccc(C#N)cc2)n1 1308958538 HIEJTMGRGKBKBG-UHFFFAOYSA-N 441.760 4.933 30 10 IJEE C#CC1(NC(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)CCCC1 1310648436 DKTDDTAGEKDEEV-UHFFFAOYSA-N 425.451 4.798 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1)c1ccc(Br)cc1 1311456242 MIAJYPCVGXGFIU-KXBFYZLASA-N 445.357 4.981 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H]2SCCc3ccccc32)c(C(=O)OCC)c1C 1349733284 CZBITKBIHJZVQD-SFHVURJKSA-N 445.562 4.545 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC(C)=C(C)C1 1358910224 HZMNYUMDSVBLRA-UHFFFAOYSA-N 444.583 4.586 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(N(CC)CC)CC1 1358922795 RDKLFPLCKYVOHX-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1358924525 ZOAUAMIPNVXOMC-QZTJIDSGSA-N 430.955 4.794 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1Cc1nc(C(C)(C)C)cs1 1358996524 IGMIZBLSTUDMHE-UHFFFAOYSA-N 445.636 4.719 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1359087809 QRTBMZRKGKGTSM-ROUUACIJSA-N 431.378 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1359093082 JWCJHTSUMBVGFG-ZRBLBEILSA-N 438.616 4.740 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1359108123 CEXFDMVGROLEFP-UYAOXDASSA-N 432.515 4.930 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1CCN(CC)C1CC1 1359108165 DSCMVWXMWDAVRM-UHFFFAOYSA-N 432.410 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC1CCN(c2ccncc2)CC1 1359110391 LJLCGKSLVIGOEQ-UHFFFAOYSA-N 430.600 4.968 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccsc2)N(C)C)CC1 1359180647 NALCTCXPFUUVDR-HXUWFJFHSA-N 427.643 4.697 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(F)(F)F)CC1 1359207698 UAFAXKRVHLOSFR-ROUUACIJSA-N 430.515 4.527 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(F)(F)F)CC1 1359219989 KMYQIBOGLXXGOU-UHFFFAOYSA-N 433.478 4.864 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OC 1359259901 LUUJXLGJWAYZIW-UHFFFAOYSA-N 433.487 4.630 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccnc(-n2cccn2)c1 1359268028 ANMRUPMXNKZSQH-UHFFFAOYSA-N 449.921 4.545 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccco1)N(C)C 1359269289 VSZRTSVOXGNEOP-JOCHJYFZSA-N 428.540 4.568 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCC[C@@H](C)C2)C1 1359317018 AKWHATAODHWREQ-HSALFYBXSA-N 444.023 4.500 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1359342245 SLNJIDLRIAYOSR-HKUYNNGSSA-N 447.674 4.842 30 10 IJEE Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2=O)cc1 1361239790 CZHUEUMUAPRRDW-HSZRJFAPSA-N 443.478 4.724 30 10 IJEE C#CCN(CC1CC1)C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 1435582818 NCZWRXJMTUBOQP-UHFFFAOYSA-N 428.326 4.522 30 10 IJEE C=C(C)[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(F)c(F)c1 1435950291 CQMFTCMQYCQGNT-HSZRJFAPSA-N 445.469 4.770 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC)c1ccc(Cl)cc1F 1436654306 ZIEHTULOODFBMF-FHWLQOOXSA-N 432.879 4.533 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)s1 1441531989 DJDSETJTEVVYTD-UHFFFAOYSA-N 437.481 4.801 30 10 IJEE N#C[C@@H]1CN(Cc2cc(F)ccc2Oc2cncc(Cl)c2)CCN1Cc1ccccc1 1462026588 DZWDEPPYFLWZDX-JOCHJYFZSA-N 436.918 4.876 30 10 IJEE C#C[C@H](NC(=O)N1CCC(CCCN(CC)CC)CC1)c1ccc(Br)cc1 1470663296 MXONKRHDJIWZCE-NRFANRHFSA-N 434.422 4.667 30 10 IJEE C=CCn1c(SCC(=O)CC[C@@H]2CCCCO2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1472908302 WGLQHXOIPQVZHG-RDJZCZTQSA-N 446.638 4.779 30 10 IJEE N#CC[C@@H]1CCCN(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 1476163005 GUIOHYALQFZORK-KRWDZBQOSA-N 444.457 4.793 30 10 IJEE CN(C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[C@@H](CO)c1cccc(Br)c1 1476626505 BXIUYIWXOIVWFY-SFHVURJKSA-N 446.345 4.695 30 10 IJEE C#C[C@H](NC(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1F 1478899753 GKRFYCDQUZRURW-QHCPKHFHSA-N 427.951 4.755 30 10 IJEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 1493311257 FWWVDKOVBVDPAK-KURKYZTESA-N 441.551 4.501 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2C)C1 1503318414 BLGVGDRGZRATRW-NHCUHLMSSA-N 432.597 4.679 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1503968433 BCXRYSKAODHNDY-YBOAYWMSSA-N 449.958 4.575 30 10 IJEE COc1ccc(Cn2c(CC(C)C)nnc2N2CCC(CC#N)CC2)c(C(F)(F)F)c1 1504274925 DMNBXSYGWKIKSG-UHFFFAOYSA-N 435.494 4.682 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(C)(C)c1cccs1 1507524042 RSVSQTSKGPFGTC-QGZVFWFLSA-N 438.597 4.850 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1CCC(C)(C)C1CC1 1507668980 PNYPCBZSJZMNDY-UHFFFAOYSA-N 439.401 4.997 30 10 IJEE C#CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(OC(C)C)CC1 1507743940 GCHOURSRCUXSDK-UHFFFAOYSA-N 449.624 4.562 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)CC(C)(C)C1 1507793179 CIZBBYDMGSQTML-KPFFTGBYSA-N 429.996 4.847 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1SC 1507800286 MTRPKKCEOYXZAO-RBBKRZOGSA-N 435.597 4.680 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1507901543 LYBOQWOXZKEBGH-DEOSSOPVSA-N 439.623 4.921 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C)C1 1507910889 GBKCDNHLQGHNQU-MRXNPFEDSA-N 433.394 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc3cccnc23)nnc1N(C)Cc1cnn(CC)c1 1507912472 OUWMVHIWPJOPCF-UHFFFAOYSA-N 429.572 4.948 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)Cc1cnn(C)c1 1507939212 JHJRLJFKACLJHO-UHFFFAOYSA-N 447.356 4.573 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC1C[C@@H](C)O[C@H](C)C1 1508002327 DXQVUUPJOFAMHF-NHCUHLMSSA-N 431.584 4.660 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC1CCC(OC)CC1 1508003033 QWUVMLDNEKALEX-UHFFFAOYSA-N 431.584 4.662 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2ccc(F)cc2)C1 1508113838 AYVUGTBJOKDGAZ-OXQOHEQNSA-N 441.938 4.718 30 10 IJEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@@H](C)CC#N)c(C)o1 1510550590 FUROJCRIAYLQRS-XMHCIUCPSA-N 445.926 4.594 30 10 IJEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(CC)s1 1516426946 CXHODCXKLJYGSM-UHFFFAOYSA-N 438.601 4.535 30 10 IJEE C=CCN(C)C(=O)c1cc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)ccc1Cl 1517729879 SVNBPEYBUKNTJG-UHFFFAOYSA-N 439.364 4.633 30 10 IJEE C#CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)C1CCCCC1 1519837023 PYVIENUHXDTUGS-UHFFFAOYSA-N 430.577 4.821 30 10 IJEE N#Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1OC(F)(F)F 1524655866 AQVRVUMPQHBTSW-UHFFFAOYSA-N 430.361 4.523 30 10 IJEE C#C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(Br)cc1 1525054456 NIEHZALZRBVMDT-HNNXBMFYSA-N 427.523 4.969 30 10 IJEE C=CCn1c(SCC(=O)OCc2coc(C(C)(C)C)n2)nnc1-c1ccc(Cl)cc1 1525732310 AMYRDXUMASWBRQ-UHFFFAOYSA-N 446.960 4.906 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2Br)C(F)(F)F)cc1 1525856486 OZEZEXYFSWXBIV-OAHLLOKOSA-N 428.160 4.799 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OC)cc2Br)CCCN1C(=O)OC(C)(C)C 1526471493 UNWRDUKPUAGGNQ-HXUWFJFHSA-N 439.350 4.742 30 10 IJEE CCN(Cc1ccccc1)c1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1528593085 CTTHPCDXGQHCJT-UHFFFAOYSA-N 449.558 4.915 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1 1530534005 SMITUNKHBSBXBF-SIKLNZKXSA-N 444.984 4.677 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)C(=O)OCC 1535090907 JYOSTWXLHSOHRO-CQSZACIVSA-N 431.703 4.761 30 10 IJEE C#C[C@@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)c1ccc(Br)cc1 1535484061 VYHQGDLBCLCMQA-DOTOQJQBSA-N 449.142 4.568 30 10 IJEE C#C[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)c1ccc(Cl)cc1F 1535504491 GSYCDQOBWGYMAB-UYAOXDASSA-N 448.897 4.717 30 10 IJEE C[C@H](NC(=O)c1cn(-c2ccccc2Cl)nn1)c1ccc(-c2cccc(C#N)c2)cc1 1538235066 BDWPTXQXHOXMSG-INIZCTEOSA-N 427.895 4.950 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)N(c3ccccc3F)C3CCCC3)CC2=O)cc1Cl 1538818420 ATEPGUCNMWGIGU-INIZCTEOSA-N 425.891 4.679 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[C@H](C)C1 1539304628 CVBWXZWGPHGVEI-ZWKOTPCHSA-N 425.374 4.607 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1539498538 UUPSOJYJXOXYSQ-UFYCRDLUSA-N 442.629 4.666 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC1CCCCC1 1539700082 MYZXAYBCKGMQHM-UHFFFAOYSA-N 434.588 4.829 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)c2cccs2)CC1 1539793536 HCETVLKKEUNHNS-UHFFFAOYSA-N 427.961 4.562 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccnc2OCCC)CC1 1539892389 ZXWCUXLMMALPKO-UHFFFAOYSA-N 435.547 4.643 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCN(CCC)C2)CC1 1539896217 JPEJRPZBLSVCKJ-QFIPXVFZSA-N 437.632 4.554 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)c1ccccc1 1539948786 RYBDCEZFOOODBV-ZCYQVOJMSA-N 449.643 4.675 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1540048017 OVXDXSHHXCMFNI-JXQFQVJHSA-N 429.584 4.690 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(Cl)c(OC)c1 1540172191 SXSXJJCEDMLOHQ-UHFFFAOYSA-N 429.977 4.523 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1540919592 SQZXLFHBEWTHGS-SFHVURJKSA-N 445.683 4.999 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2OC)c(F)c1 1543736405 HPVLIWZNEQBGGQ-GOSISDBHSA-N 442.487 4.872 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1 1557474872 KHHHQYHCHUGLKC-FDDCHVKYSA-N 442.581 4.751 30 10 IJEE COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1ccc(C)c(C)c1 1560149332 GLCOBGKTYDPORP-UHFFFAOYSA-N 444.579 4.670 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cc3ccccc3nc2O)cc1OCC 1560623778 MODWWWPJLIAWDW-UHFFFAOYSA-N 443.341 4.956 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@](C)(CO)c1cccc(Br)c1)c1ccc(F)c(F)c1 1564595671 CJAMBVNJKAVNIV-UYAOXDASSA-N 439.300 4.551 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)C1 1583967923 PQBRYWLTJYWBTI-SMDDNHRTSA-N 425.314 4.518 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C(C)C 1585129065 OUZGURYYVROGEW-NZQKXSOJSA-N 441.616 4.730 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3cc(Br)c4ccccc4c3)CC2)c1 1586325811 CZZHOIAPUKBZRP-UHFFFAOYSA-N 448.364 4.868 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(OC)CCCCC1 1587921940 NEQJYNGSIWRLBL-UHFFFAOYSA-N 431.584 4.771 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)Cc1ccccc1 1589178106 RKKYUNKCDCOKCT-UQBPGWFLSA-N 449.002 4.506 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(F)(F)CC1 1589567230 CADXVEXMGSQQMC-SIKLNZKXSA-N 446.542 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1CC(=C)Br 1589694438 IPQIHMKUDSMHDU-UHFFFAOYSA-N 437.407 4.890 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCc2sccc2C1 1594449237 UVKVCKGNPIVMOK-UHFFFAOYSA-N 436.585 4.542 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(F)(F)CC1 1594483807 DHRVEFZLLLSLFH-UHFFFAOYSA-N 426.515 4.969 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)Cc2ccc(F)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1594528259 HSGKKEJQOLDUIW-XMMPIXPASA-N 430.568 4.697 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 1594552279 KLTKFDQOJNOMNL-REWPJTCUSA-N 437.632 4.578 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1594573098 OIPWEDVTCBPFCM-IBGZPJMESA-N 444.023 4.644 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cn2cncn2)CC1 1594581939 HUWVQTPLMKVCRP-UHFFFAOYSA-N 443.958 4.602 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(C)C)CC1 1594590790 ACVKCXKTTBJSGS-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1594599981 DSWRTHDGCJGGEU-UHFFFAOYSA-N 434.588 4.537 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1594608974 ZVUJSEVCPXDOMK-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1CCCc1nnc(C)s1)C1CC1 1595037370 BJWBRCPZBBSKPJ-UHFFFAOYSA-N 432.956 4.685 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCCC2)n1CC[C@H](OC)C(F)(F)F 1595094411 SSNWBKBDKSEYBC-FQEVSTJZSA-N 447.505 4.967 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC[C@H]1C 1595099454 BRUACHIULDIJSQ-XXBNENTESA-N 447.608 4.667 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)CN1CCCCC1 1595196386 QSBBEUJSZIOJJU-OAQYLSRUSA-N 430.600 4.794 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC2(C)C)C1 1595687537 ADDPJMRKCKHKOL-ZIAGYGMSSA-N 437.407 4.597 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1596821541 CUQAXDFNDHCRTG-UYAOXDASSA-N 444.624 4.569 30 10 IJEE CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1611238017 BQACZTKTPHKIHZ-UHFFFAOYSA-N 443.503 4.962 30 10 IJEE N#Cc1ccc(NCC(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cc1 1614905325 DYXNFUVWOBZGMD-UHFFFAOYSA-N 430.552 4.858 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(NCc2cccs2)s1 1614999649 OMFILSADQHCEAI-ZDUSSCGKSA-N 436.653 4.969 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)cc1 1623891142 JTBATEUOLNZGQN-WIYYLYMNSA-N 428.330 4.673 30 10 IJEE CSc1nc(C2CC2)cc(C(=O)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)c1C#N 1627078940 CLPGJLKXAYXIAJ-MRXNPFEDSA-N 440.638 4.517 30 10 IJEE O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc(C(F)(F)F)c1 1628046649 GXUWOZAAHJLNHN-KRWDZBQOSA-N 434.355 4.868 30 10 IJEE N#CC1(CNC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CCOCC1 1628683385 ANQUFBGALUNCIP-IBGZPJMESA-N 436.943 4.573 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 1629503464 NMDCUZWFZGIHSI-IBGZPJMESA-N 430.932 4.865 30 10 IJEE C#CCN(C(=O)NCc1cc(Br)ccc1OC)[C@@H]1CCCc2ccccc21 1632978992 GFQFQFMDJFRJBQ-HXUWFJFHSA-N 427.342 4.680 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[C@@H]3C)ccc2c1=O 1633581091 BJFWEYPXTRMNKY-YHJVDBJQSA-N 439.968 4.652 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(OC)c1 1633586041 XOPYXJCCPNFKHR-WIYYLYMNSA-N 431.577 4.743 30 10 IJEE Cc1ccc(C(C)C)c(OCCC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 1634564887 GVTOPKIKFJHVRT-QHCPKHFHSA-N 439.987 4.950 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2c(C)nc3ccccc32)CC1 1640002180 JBYGVXRDBQDRBT-OAQYLSRUSA-N 440.588 4.758 30 10 IJEE C=CCn1c(O)nnc1S[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 1643787816 ZPNXPJGZCBYFHE-MRXNPFEDSA-N 435.336 4.949 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)n(-c2ccccc2)c1C 1655719641 FSZZIJYSECWCFO-JJHGTGHCSA-N 442.563 4.755 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](Cn2cccn2)c2ccccc2)cc1OC 1657266511 RVMWDHRSBBUXML-FQEVSTJZSA-N 442.357 4.750 30 10 IJEE C#CCN(Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)[C@H]1CCc2ccccc21 1659182242 MOLCAAJXRWQYHS-URXFXBBRSA-N 434.580 4.960 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(F)c(OC)cc1F)c1ccc(C(F)(F)F)cc1 1662379576 XBWPGQFPNXXSAO-MRXNPFEDSA-N 435.414 4.978 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H](O)c3ccc(Cl)c(Cl)c3)s2)cc1 1667014787 ANJGTOBFMHQAHM-SFHVURJKSA-N 447.347 4.767 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(C)=O)c(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1668040053 FSWMEQHQSCFDPH-HXUWFJFHSA-N 441.325 4.951 30 10 IJEE C=CCOc1cccc(NC(=O)NCc2cc(Cl)cc(I)c2)c1 1668343808 YIOJWIWJVUXASU-UHFFFAOYSA-N 442.684 4.831 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 1672214356 MFNKIHGDDVHQHL-INIZCTEOSA-N 443.700 4.662 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)C1 1681417948 BXADLHXSYOUHTH-HSZRJFAPSA-N 447.579 4.738 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1OC 1689835678 QRCJZLAWGNFRCG-FUHWJXTLSA-N 434.609 4.955 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCCC[C@@H](C)C1 1689886783 GRHNMYGSRRCODE-HXUWFJFHSA-N 446.599 4.666 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1689919417 NNZUNTATAOYEEC-LRDDRELGSA-N 447.288 4.821 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCC(OC)CC1 1690038682 ZBUORBRPZHYNLQ-UHFFFAOYSA-N 445.394 4.920 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@@H](F)C1 1690095404 PPERSZYVOHLFJX-FCHUYYIVSA-N 449.574 4.577 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1690155223 HWTDAYSGEMEPKT-ROUUACIJSA-N 430.593 4.796 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(C)(C)C)C1 1690182534 BISURIKUYUOAFJ-HXUWFJFHSA-N 426.630 4.713 30 10 IJEE C=CC[C@@H](Cn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C)c1ccccc1 1690447515 QREGPSUJCAFIIG-OFNKIYASSA-N 432.616 4.738 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(COC)CC1 1690456012 RRZVDPNLZBSSOS-UHFFFAOYSA-N 439.423 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(F)cc(OC)c1 1690518847 XDVXLSGWYNJPMZ-HNNXBMFYSA-N 426.561 4.950 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1C[C@H](C)O[C@H](C)C1)C1CC1 1690553645 BGXWKZZBLGMDSN-REPLKXPHSA-N 442.629 4.937 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CC[C@@](C)(CC)O2)C1 1690690178 SPZYIQQDTCMGRT-IEGUWTFLSA-N 448.970 4.867 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1692346489 GOWQWXIQTPUZMR-CTNGQTDRSA-N 426.609 4.881 30 10 IJEE Cc1noc(C)c1CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC#N 1693525007 HLTDDJZVZLVGDN-YOEHRIQHSA-N 442.951 4.657 30 10 IJEE CCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CCC1 1695132231 FUWVNKHDJWJQSE-IBGZPJMESA-N 437.588 4.703 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)C#N)c1ccsc1 1695622560 DINBTKHARKTVDP-GCJKJVERSA-N 447.612 4.557 30 10 IJEE N#CCC1CCN(c2nnc(CCc3ccccc3)n2CCOC2CCCCCC2)CC1 1698494142 GJYJFRZHZIPELS-UHFFFAOYSA-N 435.616 4.933 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705511522 XBHHJHPOWRUAET-QUCCMNQESA-N 443.389 4.516 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)S[C@H](C)C1 1705526139 FWTRQFRRPZTLOY-ZIAGYGMSSA-N 437.382 4.590 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705681489 WDQGOZDPKDGCAB-ATZDWAIDSA-N 433.394 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1Cc1ccc(I)cc1 1705710882 STPFCKFOYWUNEV-UHFFFAOYSA-N 438.357 4.631 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCc2ccc(Cl)nc2C1 1705721590 LEFPFQWOFWZUCE-UHFFFAOYSA-N 444.764 4.895 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCn2ccnc2C)CC1 1705777766 NOIKBWFHGASYAY-UHFFFAOYSA-N 440.979 4.605 30 10 IJEE C=CC[C@@H](Cn1c(C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1)c1ccccc1 1705796007 WNRCCSIQTBNJEV-NRFANRHFSA-N 449.624 4.715 30 10 IJEE C=CCCCCCN(C)c1nnc(CN2CCCC2=O)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1705798894 FHDAXIHPCZEEGQ-MSOLQXFVSA-N 441.542 4.877 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(COCC)cc1 1705837933 VAZCIEIZCLCJNB-UHFFFAOYSA-N 447.402 4.976 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@]1(C)CCCS1 1705868281 HWUIAZYYXSIISY-JOCHJYFZSA-N 425.627 4.804 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC(C)C)C1 1705920269 UKBIVBSLCAAOQI-HNNXBMFYSA-N 439.785 4.798 30 10 IJEE CC(C)(C)c1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)cs1 1706102147 AMTIBALYRMXKRW-UHFFFAOYSA-N 442.539 4.659 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N(C)c1ccc(C)cc1 1722311648 XWMDKBAWNLBNPV-UHFFFAOYSA-N 426.362 4.926 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OCC(C)C 1722392887 NWQGKHBKYZYSMW-UHFFFAOYSA-N 447.970 4.540 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1722414932 GBRRYTVQODSYGX-WIYYLYMNSA-N 430.980 4.565 30 10 IJEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1722482635 CLGKDCQTCFWMGK-LJQANCHMSA-N 440.345 4.599 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nc(C(C)C)cs1 1722514705 IGYLOKXQLSMRNO-UHFFFAOYSA-N 435.601 4.547 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1Cc1cccs1 1722546010 SLHRVHLJQMSCHM-MRXNPFEDSA-N 429.933 4.879 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnc(C(C)(C)C)s2)CC1 1722567674 HLKXKGYHPUFHDA-UHFFFAOYSA-N 444.555 4.501 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)N1CCC[C@@H](C)C1 1722635750 VHDCTXJRWMYCBY-CABCVRRESA-N 438.439 4.512 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N(C)CCc1cccs1 1722707551 SBKPHTKEZGZULM-FQEVSTJZSA-N 438.597 4.526 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCO[C@@H]2C(C)C)c1C 1724057997 DQUJPILJFMFJBD-KTDPBYDISA-N 439.604 4.834 30 10 IJEE C[C@H]1CCC[C@](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)(N(C)C)C1 1726518116 GRFLIOCQTFHCDM-UUOWRZLLSA-N 441.023 4.849 30 10 IJEE C#CCSCCn1c(C(C)C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1740709791 RHGLEMWZFCYXJH-KRWDZBQOSA-N 439.398 4.677 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H](C)CC 1740712247 AWOCYZFFPJYYEW-HNNXBMFYSA-N 435.435 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)c1ncc(C)s1 1740728215 QXPAWJRHCOXUDF-SPLOXXLWSA-N 426.977 4.554 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(Cc1ccccc1)Cc1ccco1 1740750533 RHLUXPWQUFDLCX-LJQANCHMSA-N 443.345 4.838 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCn1cncn1 1740769584 ZGACCWWYTXTLPJ-UHFFFAOYSA-N 427.965 4.507 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1740833649 VEJASSPGNBBXJH-GGPKGHCWSA-N 431.625 4.840 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)N1CCC(C)CC1)C1CC1 1740913460 NAJSBAFRSIZTOF-IBGZPJMESA-N 444.023 4.786 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCS1 1740935337 JTXZDCNOVWBGHW-VXKWHMMOSA-N 426.630 4.693 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1Cc1nc(C)cs1 1740936533 YEGYABBXZQDBGK-UHFFFAOYSA-N 440.960 4.635 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1nccs1 1748641404 GOVZLIPOPQDQLI-OWCLPIDISA-N 429.977 4.790 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(C)CCc1ccc(Br)cc1 1748708132 WGAFNUWZKWPJSN-UHFFFAOYSA-N 438.373 4.585 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(NC(C)C)CC1 1748759784 PDWSPDGNGLNBMA-UHFFFAOYSA-N 437.632 4.535 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC[C@H](OCC)C1CCCC1 1748779352 HEPGPYUXPIJAHW-FQEVSTJZSA-N 430.980 4.662 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCCC(F)(F)C1 1748856200 SZXHGKMBUVMNFQ-OAQYLSRUSA-N 440.538 4.762 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)cc1F 1748914992 QZWNCGPNQPLWEH-MRXNPFEDSA-N 438.572 4.787 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCCCCC1 1749077729 BMOTVDPKQZMKJL-RUZDIDTESA-N 436.600 4.551 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(CC)Cc1cnn(C)c1 1749118872 KNQWDIPWKKHNNQ-SGNDLWITSA-N 448.615 4.561 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1749195670 WTSKAUDPDWLAMG-VQIMIIECSA-N 427.326 4.743 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749252536 SARIWUDJYCZCMM-UXHICEINSA-N 445.007 4.919 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCCc2ccc(OC)c(OC)c2)CC1 1749343053 WBUGLYXGXXYFAB-UHFFFAOYSA-N 426.605 4.919 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](COCc2ccccc2)C1 1749367159 RADQMJXHEYJPOZ-GOTSBHOMSA-N 438.616 4.818 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CCCO1 1749383720 FNCPEVKMEJILQU-FQEVSTJZSA-N 436.398 4.787 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC1COC(C)(C)OC1 1749415880 VXFTUHOWPYPHRB-KRWDZBQOSA-N 444.645 4.933 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCCC2=O)CC1 1749419802 QAZOLFPWPFGKFE-UHFFFAOYSA-N 427.980 4.546 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1749421723 OTEILKNUOYMSRP-HXUWFJFHSA-N 445.995 4.514 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1749459783 RNIOUVKNVAWCAO-UHFFFAOYSA-N 425.335 4.500 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1749475333 BSMRVUVTPOZUAS-JKSUJKDBSA-N 449.393 4.544 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCC[C@H]1C 1749528056 BKKGRPCMVVAXND-IQGLISFBSA-N 436.556 4.599 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1749539174 VTYHJHRXJURMSB-FGZHOGPDSA-N 449.599 4.538 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N(C)Cc1cc(Cl)ccn1 1749689906 LOGMGDJVPNBCRH-UHFFFAOYSA-N 425.964 4.775 30 10 IJEE CSC1(Cn2c(C3CCCC3)nnc2N(CCC#N)CCC(C)C)CCN(C)CC1 1750261810 DTQHLQFQLLXWFH-UHFFFAOYSA-N 432.682 4.529 30 10 IJEE CC(C)[C@H]1OCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1750690186 HMJWOIZJXNBEQG-XUZZJYLKSA-N 439.579 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1C[C@H]2CC[C@H]1C2 1760209442 CRDWIGJMMGZSGS-NAVOZUGXSA-N 430.596 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCN(CCC)C1 1760331330 KZHXKLLZUYZJIB-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H](N2CCCC2)C1 1760366549 CHTBVHFUEDHLLT-SFTDATJTSA-N 444.023 4.852 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2ccco2)C1 1760451582 NDMCWPRJOSQDHN-LJQANCHMSA-N 426.948 4.702 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCSC1(C)C 1760482912 WDPSLSPUQFEUCT-QFIPXVFZSA-N 433.625 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1Cc1ccc(NC(N)=O)cc1 1760485922 VWTNSEMHQNBWAV-UHFFFAOYSA-N 448.552 4.640 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1760487785 DLDHTAJTNBVAIL-SQJMNOBHSA-N 436.604 4.675 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1760492607 ZGVWUAIVKONGIR-NRFANRHFSA-N 439.604 4.981 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1[C@@H]1C[C@H]1C(C)C 1760494098 PPFQQPITCHJBBW-HSALFYBXSA-N 429.609 4.788 30 10 IJEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H](F)c1ccc(Br)cc1 1760500873 XTSMIEBHCHVQPN-KRWDZBQOSA-N 439.373 4.688 30 10 IJEE CN(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)c1cccs1 1766891779 BTTSYUACYINKHJ-AUSIDOKSSA-N 426.634 4.505 30 10 IJEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1767515531 AVMMERNVYOIBHP-YADHBBJMSA-N 434.632 4.810 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(Cl)c(Cl)c1 1861055895 ZJXADLULKMUNBD-YLJYHZDGSA-N 443.415 4.826 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCC)c(OC)c1 1861585054 JZCAAEDAOIQFMZ-OZIPEELISA-N 430.589 4.575 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)c1 1862414333 XPOCNHCUSPTJFK-QHCPKHFHSA-N 449.453 4.794 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC)[C@@H]2c2ccc(O)cc2)cc1OCCC 1862426370 TYMTYACIOOPUQX-JOCHJYFZSA-N 439.508 4.568 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@H]1c1cccc(Br)c1)c1cccc(Cl)c1 1862452384 ANBBFMPWIZDHPY-KRWDZBQOSA-N 432.701 4.843 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)ccc1O 1862480977 TYLLVDHPYQTPBW-BVZALQNUSA-N 435.520 4.866 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)ccc1F 1862504650 YWAOEFVCRGXWCF-DEOSSOPVSA-N 444.506 4.979 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1F 1862506571 QQNOFZHNEHPBKZ-HXUWFJFHSA-N 426.444 4.667 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccccc1Cl 1862535722 JGVGABRZFQIVJQ-NRFANRHFSA-N 427.928 4.907 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2c(F)cccc2Cl)c1 1862561032 MCOXXUSLONJIKO-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1F 1862617843 YZIZPIOPUFHISO-JOCHJYFZSA-N 438.543 4.653 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 1862674547 OTWHBDNAKFTUBR-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@H]2C)ccc1O 1862677706 JMGRHQWVQBGWHP-JVJLVOBOSA-N 439.483 4.697 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)cc1 1862735771 AXZYFYHHRRKWDF-QHCPKHFHSA-N 442.471 4.724 30 10 IJEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(c2cccc(Cl)c2)C1=O 1863054598 VVPQPHKXFKGRAR-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2ccc(Cl)cc2C)C1=O 1863056810 RSHHQYDGBVCULL-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1ccccc1C#N 1866642603 DXTMGUGOIMPPNU-QFIPXVFZSA-N 444.535 4.686 30 10 IJEE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](C)C(=O)Nc1ccc(C#N)cc1 1866679521 SGUJEIAGXLTESH-MRXNPFEDSA-N 444.535 4.505 30 10 IJEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCC[C@@H](C)C2)cc1 1870350542 KSVPYGFWOZSGPI-JOCHJYFZSA-N 441.575 4.888 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCOc2ccc(Cl)cc2)cn1CC(C)C 1870456582 ZNJVOOLMACZEHT-UHFFFAOYSA-N 430.976 4.790 30 10 IJEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CNc1cccc(C(C)(C)C)c1 1871029038 DQSGUZRAMCHFKD-UHFFFAOYSA-N 440.584 4.912 30 10 IJEE COc1cc(/C=C2\Oc3cc(OCc4ccc(C#N)cc4)ccc3C2=O)cc(OC)c1OC 1871417298 HGOGANSQSUPPCC-YVNNLAQVSA-N 443.455 4.779 30 10 IJEE CC(C)COC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 1871427559 JUPIXOKGYOSEFO-OCKHKDLRSA-N 431.282 4.643 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O 1871434388 SFKQHPNDTUEJFD-GEYIUBJWSA-N 430.884 4.612 30 10 IJEE CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)NCc4ccco4)ccc3C2=O)cc1 1871445038 HHUNUCPEGKKPRJ-QRVIBDJDSA-N 431.488 4.889 30 10 IJEE CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)O/C(=C\c2ccco2)C3=O)cc1 1871449218 UBKXULPJCYGPHA-QZDMBBGESA-N 446.459 4.569 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 1871836863 VRIGQNFGRKYQRY-QFIPXVFZSA-N 432.561 4.933 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1872138112 MZGSFTCEMDAJNN-HSZRJFAPSA-N 438.524 4.773 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(OCCCC)cc1)[C@@H](C)CC)S(=O)(=O)CCCC 1872182989 FBEVRRCUBKLOOR-UGKGYDQZSA-N 438.634 4.837 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cc2ccccc2)cc1)c1ccccc1)S(C)(=O)=O 1872288789 PGHLFJWINLSXLO-VWLOTQADSA-N 448.588 4.795 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2C)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873104253 QUROOTKATVDMSL-UHFFFAOYSA-N 448.563 4.954 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2c(NCCN(CC)CC)ncnc21 1873624475 AROASEYFPUGJOM-UHFFFAOYSA-N 448.615 4.921 30 10 IJEE CCCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1cccc(OC)c1O 1874255554 IGCVOIINIDMMHR-ZMOGYAJESA-N 440.569 4.881 30 10 IJEE CC(C)COC(=O)CSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccco1 1874271303 OQNWWMRQFBAXPY-AFUMVMLFSA-N 448.548 4.789 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccco1 1874392822 VVKAXFQZWRKQTG-FRQJIFLKSA-N 449.511 4.775 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 1874464452 KLODNVMEWGPSEP-SSDVNMTOSA-N 441.513 4.660 30 10 IJEE CCCc1nnc(SCc2nc(O)c3ccccc3n2)n1/N=C/c1ccccc1Cl 1874508771 UUCPGYOMJNMVMS-FSJBWODESA-N 438.944 4.707 30 10 IJEE CCN(Cc1ccccc1)c1ccc(/C=N/n2c(SCCCO)nnc2C2CC2)cc1 1874520605 QNJGJTHOVJRCSZ-KOEQRZSOSA-N 435.597 4.539 30 10 IJEE Sc1nnc(COCc2ccccc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874562637 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PFJDRKYQKINUPP-CQSZACIVSA-N 438.366 4.836 30 10 IJEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 1988813776 FALHFSICQPFFKJ-VLMPBXDWSA-N 425.545 4.652 30 10 IJEE Cn1cc(CNc2cc(Br)c(Br)c(Br)c2)cc1C#N 2095447328 HXHNBOUNRAUQCY-UHFFFAOYSA-N 447.956 4.796 30 10 IJEE O=C(NC[C@H](Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F)OCc1ccccc1 2106018324 UOAVUMCZIWEICK-VIFPVBQESA-N 428.279 4.651 30 10 IJEE N#Cc1ccc(NCc2cccc(I)c2)c(F)c1Br 2119243463 XHXDDDZGQWOJCX-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE N#Cc1ccc(N[C@H]2COC3(CCN(C(=O)OCc4ccccc4)CC3)C2)c(Cl)c1 2162287643 HKEOWJAWAKVGFI-LJQANCHMSA-N 425.916 4.584 30 10 IJEE CN(Cc1ccc(Br)cc1C#N)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174566707 YGDZZJOJLRQVAS-REPLKXPHSA-N 434.378 4.683 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cc(Br)ccc2C#N)cc1 2181139329 MFYUVQHKMCHNRL-UHFFFAOYSA-N 430.302 4.849 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](CC(F)F)C1 2183416010 BYPXICMZWNXSHP-LBPRGKRZSA-N 448.283 4.541 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2235732824 SQEGNQPMFGZOEP-DLZDZTESSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2([C@H](O)C#Cc3ccccc3Br)CCCC[C@H]12 2235735589 UINLADWBDKWGOW-NNMXDRDESA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2235748156 XBSGTCGBOFLJLG-ZHALLVOQSA-N 435.406 4.720 30 10 IJEE C#CC[C@H](C)C[C@@H](NCC)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408053 ZPSDWIAGODNQLW-DBVUQKKJSA-N 437.422 4.913 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)C=CCCN1C(=O)OC(C)(C)C 2239435372 DYPTXEUPSLUIPF-DENIHFKCSA-N 433.390 4.734 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)C#Cc1ccccc1Cl 2245955942 KPRQOWASHIPPSQ-HTAPYJJXSA-N 427.928 4.759 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCCN(C(=O)OC(C)(C)C)C[C@H]1C 2262207837 VEFZCTQCMHYFSK-CLOONOSVSA-N 447.572 4.657 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](NC)c2ccc(Br)c(OC)c2)C1 2266704413 XPAIWRHEFDZDNV-QGZVFWFLSA-N 425.367 4.579 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@](O)(C#Cc3cccc(Br)c3)C[C@@H]21 2296227270 NIKSSXOURDFODF-LZNRXBQRSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC[C@H](N)C#Cc2cccc(Br)c2)C1 2296279801 SMYNQCMKZHWCJQ-DFQSSKMNSA-N 435.406 4.992 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2296284977 XBRKDCNUKWCLMY-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)c1cccnc1NC(=O)OC(C)(C)C 2296294088 PWTGBKYKWBLPIC-SFHVURJKSA-N 430.346 4.893 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@H](NC(=O)OC(C)(C)C)C1CC1 2296294428 UFKKNRIUFMMCDV-UXHICEINSA-N 435.406 4.862 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3ccccc3OC)CC(=O)O4)C2=O)cc1 2297595864 NQRYIOZJFVFIMT-IBGZPJMESA-N 428.440 4.761 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2302802052 DZCMSCQNGZWJLZ-GVDBMIGSSA-N 436.557 4.900 30 10 IJEE CCCCCOc1ccc(C=Nn2c(C)nnc2SCC(=O)N(CCC)CCC)cc1 2321178327 IHSJRHTVOJUEFZ-UHFFFAOYSA-N 445.633 4.778 30 10 IJEE COc1ccccc1C(=O)C=Cc1cccc(OC)c1OCC(=O)N[C@@H](C)c1ccccc1 2322485603 UCBZEXFZVHMMEM-IBGZPJMESA-N 445.515 4.856 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(C(=O)OC)cc2)C3=O)cc1 2323790980 YYBJHZHPOYQAMH-UHFFFAOYSA-N 444.439 4.707 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2OC)ccc1OCC(=O)OCC(C)C 2324474874 JVPFIGHYZBSZAV-UHFFFAOYSA-N 442.508 4.577 30 10 IJEE CCOCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1cn(CC)c3ccccc13)C2=O 2325652607 QKPQLQMAZHZRGI-UHFFFAOYSA-N 449.503 4.544 30 10 IJEE COc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2325731461 VXXKUNRPFFPKLM-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE O=C(N[C@H]1CCN[C@@H](C(=O)C=Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 2328098960 WXOMKTBRRMWWNS-PKOBYXMFSA-N 437.754 4.780 30 10 IJEE CCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2328574682 NZUAVGHWFQIRQB-UHFFFAOYSA-N 445.932 4.628 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)Nc4cccc(O)c4)ccc3C2=O)c2ccccc21 2329876055 NUFDHOXISDYKON-UHFFFAOYSA-N 440.455 4.518 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2N=Cc2ccco2)cc1 2330246001 IOOSFAYKHNTLRR-UHFFFAOYSA-N 437.569 4.915 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC(=O)COC 2330894449 GRCYEHJQBVBCFY-UHFFFAOYSA-N 445.309 4.634 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)COc3ccccc3OC)c(OC)c2)cc1 2330990412 HBCURDNCLFOAOV-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(C)(C)C)c1 2331378739 WYCMCLSASOWEMK-UHFFFAOYSA-N 437.569 4.506 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331474781 KAZYGFHDSSISBG-UHFFFAOYSA-N 429.373 4.711 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)NCCC)nnc2C2CCC2)cc1 2331505901 YNGYEYZXNUIMLP-UHFFFAOYSA-N 443.617 4.615 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccc(CC)cc3)nnc2C2CC2)c1 2331730014 LAGPOIPDBGQRJQ-UHFFFAOYSA-N 449.580 4.730 30 10 IJEE C=CCN(CC[C@H](NC)c1cc(Br)cc(COC)c1)C(=O)OC(C)(C)C 2337132288 TYWJYAMSOFGUAJ-SFHVURJKSA-N 427.383 4.669 30 10 IJEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCN=c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)c[nH]1 2365109459 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CKVCEBWHDOMDMV-ROTLSHHCSA-N 443.499 4.981 30 10 IJEE COc1ccccc1N/C(=N\C(=O)c1cccc(C)c1)NCCc1c[nH]c2ccccc12 66437642 NNKNUZRAUROYKW-UHFFFAOYSA-N 426.520 4.926 30 10 IJEE CCCOc1cccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 102536335 RMMWGMZWMUHDJD-UGUGFTGJSA-N 446.478 4.631 30 10 IJEE CCCCCCCN1C(=S)N(CC)C(=O)[C@@H]1CC(=O)Nc1ccc(OCCC)cc1 104717890 BEBGNIXGUVPBLV-FQEVSTJZSA-N 433.618 4.592 30 10 IJEE Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C#N)c1ccc(F)cc1F 111029150 DUWAUFUMCIINLW-QGZVFWFLSA-N 433.867 4.957 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(C(C)C)cc2)[C@H]1c1ccncc1 170016289 AJQSBDOGFWINPO-QHCPKHFHSA-N 428.488 4.997 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1c[nH]c2ccccc12 170077657 WBLPVBDCIGJPMU-VWLOTQADSA-N 437.499 4.660 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170095737 HLVDBDVAIGEQMP-HXUWFJFHSA-N 436.851 4.674 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]1c1ccco1)c1cc2ccccc2o1 170097430 AKNRKNSNJIQXDZ-QFIPXVFZSA-N 443.411 4.533 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2C)[C@@H]1c1ccc(O)cc1 170133652 MITWAVYDZPGONG-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OC)c(Cl)c2)=C(c2ccc(OC(C)C)cc2)C1=O 170141840 SJDUXHQCUFMXHJ-UHFFFAOYSA-N 426.900 4.514 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2OC)[C@H]1c1ccc(C(C)(C)C)cc1 170150046 XVFNJNAFMSKYNX-JOCHJYFZSA-N 437.536 4.990 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccs3)oc12 170162613 HDQKNKVEXIVRMU-LJQANCHMSA-N 435.457 4.874 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2cccnc2)c1 170197333 YMHHMPPLBHWZMA-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2)c(OC)c1 170221710 IPKRRYALDZEASA-NRFANRHFSA-N 435.501 4.544 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)ccc1Cl 170230917 ZQDUCUYDCCRQEU-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccc(O)c2)cc1C 170258604 BAPDLAWDMCARPJ-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE C=CCn1c(C(=O)Nc2ccn(Cc3ccccc3)n2)cc2oc(Br)cc21 223719095 SIVLBXXVYHMKOG-UHFFFAOYSA-N 425.286 4.680 30 10 IJEE N#CCOc1ccccc1CNc1ccc(I)c(Br)c1 380024193 HSPDCDCOGKPRGD-UHFFFAOYSA-N 443.082 4.568 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(OC)c(Br)c1)NCCC 406749797 GERXCQFNBKNYKH-ROUUACIJSA-N 441.410 4.838 30 10 IJEE C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 428194867 GPDNIKZNJYXULQ-MRXNPFEDSA-N 437.341 4.587 30 10 IJEE COC(=O)c1csc(-c2cccc(CNc3c(C#N)cnc4c(F)cc(F)cc34)c2)n1 477809787 HITBWLQVZURIMJ-UHFFFAOYSA-N 436.443 4.907 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 483062073 ZGNQKBASMTXGDZ-UHFFFAOYSA-N 426.463 4.927 30 10 IJEE N#Cc1cc2c(nc1NC(=O)c1cc(OCC(F)(F)F)c3ccccc3n1)CCCC2 484166929 AEAPKSOWSKBLCZ-UHFFFAOYSA-N 426.398 4.574 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(Oc3nncc4ccccc34)c(Cl)c2)cc1 502067007 PQKRALAEQKMWAH-UHFFFAOYSA-N 430.851 4.965 30 10 IJEE CCOc1cc([C@H]2C(c3cccc(OC)c3)=C(O)C(=O)N2c2ccccc2C#N)ccc1O 526605735 FBTABODIESVXNK-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1/N=C\c1cc(OC)c(O)c(OC)c1 526816764 MUIDMKWMMXXKFT-FMCGGJTJSA-N 446.960 4.781 30 10 IJEE C=CCN(C(=O)CN1CCC(=O)[C@H](C)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 555055846 KHPXNLLSIXFRQD-CYBMUJFWSA-N 438.380 4.547 30 10 IJEE C=CCN(c1ccc(N2CCC(C)CC2)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 586215453 ZUNOEBGSMABIMY-UHFFFAOYSA-N 428.598 4.930 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)C[S@](=O)Cc3c(Cl)cccc3Cl)c2C#N)C1 586301999 WLOLXKZBNDKBQT-YBOJIHHZSA-N 441.405 4.939 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2c3ccccc3C[C@H]2C)nnc1-c1ccc(Cl)cc1 599904877 LDQQYRPAJPURLI-QVKFZJNVSA-N 438.984 4.926 30 10 IJEE CCOc1ccc([C@@H](O)C[C@@H]2SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 606656203 DBOUZNQRYMHJIK-IRXDYDNUSA-N 425.337 4.735 30 10 IJEE C=CCCc1ccccc1NC(=O)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 669730896 WLQQHKFFLGFRMA-ZIAGYGMSSA-N 436.396 4.769 30 10 IJEE C=C([C@@H](NCCC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(F)(F)F 693673925 XAPUGUUSKBUWEY-KNQAVFIVSA-N 441.538 4.643 30 10 IJEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698890478 JDLYZWHIKIWGNR-OAHLLOKOSA-N 425.323 4.822 30 10 IJEE N#Cc1cc(Br)ccc1CNc1ccc(I)cc1F 700453824 HJABPFRCAQSUAD-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE Cc1cc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c(C)n1-c1ccc(C#N)cc1 728267551 BEHSAGQVIPIXSV-UHFFFAOYSA-N 435.474 4.928 30 10 IJEE Cc1ccc(-c2cc(C(=O)Nc3nc4n(c3C#N)CCS4)c3ccccc3n2)c(C)c1 735635282 BZEVRFKCAALXDF-UHFFFAOYSA-N 425.517 4.945 30 10 IJEE COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc4nc(O)oc4c3)cc2)cc1 794713460 DITKNWCDYVFPCT-MLPAPPSSSA-N 429.428 4.795 30 10 IJEE C[C@H](NC(=O)CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)c1ccccc1 1084319630 ZKSGQWXEEQPHEH-LBPRGKRZSA-N 449.367 4.527 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 1125779048 DNCHFLHJYTVIEO-UHFFFAOYSA-N 446.572 4.544 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1126653841 JWEVUXVEFNJYPU-RUZDIDTESA-N 444.572 4.855 30 10 IJEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)c1 1129225815 DOSIMJPKWJYFET-HUUCEWRRSA-N 445.610 4.587 30 10 IJEE C=CCCC1(CNC(=O)COc2c(Br)cc(C#N)cc2OCC)CCCC1 1131111244 BKXHRYRVGLKATG-UHFFFAOYSA-N 435.362 4.741 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1150960706 FSUBQPBYVGKTPX-UHFFFAOYSA-N 436.961 4.569 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc3ccccc3n2-c2ccc(C)cc2)c1 1164675025 ZZDIMANTXWCGMQ-UHFFFAOYSA-N 440.528 4.756 30 10 IJEE C=CC[C@@H]1N(CC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)CCCC1(C)C 1169843674 HJVAHYJMJHEXPY-FQEVSTJZSA-N 429.586 4.833 30 10 IJEE C#CCN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCc2ccccc21 1176451265 ADSSUERUBHMBQN-RXVVDRJESA-N 448.788 4.855 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 1177617641 ZRXYYYGMOAYSIO-OAQYLSRUSA-N 448.364 4.565 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 1181372313 IFKFFUBVNGORKQ-XUZZJYLKSA-N 447.023 4.559 30 10 IJEE N#Cc1ccnc(SCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 1188627190 GVIBJIVTMSYYPC-HXUWFJFHSA-N 443.981 4.809 30 10 IJEE COc1ccc(-n2ccc(CNC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)n2)cc1 1216827004 FCHWHJSMIFRQGY-UHFFFAOYSA-N 439.475 4.867 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)n1 1222426596 OLGKZRIKYOZQPU-UHFFFAOYSA-N 446.517 4.969 30 10 IJEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 1228452203 AZJRHYFRQBVAKC-VQIMIIECSA-N 439.581 4.796 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(O)CCCCCC1 1286279088 SGTUVCQKNLBECL-ZWKOTPCHSA-N 430.980 4.615 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1C[C@@H](C)O[C@H](C)C1 1286363313 QFJYSLPWNSYQMV-IAGOWNOFSA-N 435.597 4.650 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1286537594 GSURJKJSRFOKFP-SFHVURJKSA-N 435.341 4.561 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccon1 1286551165 KUXMTYDXKHCDBJ-DENIHFKCSA-N 435.572 4.848 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nnc2n1CCCCC2 1286569393 OHGUEBHUYCKDQA-UHFFFAOYSA-N 443.958 4.506 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)c1c(C)noc1C 1286572109 ZJXYQMURNFMPGR-INIZCTEOSA-N 437.544 4.527 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(Br)n1 1286680755 MZSYTZOSXNREMF-UHFFFAOYSA-N 441.377 4.729 30 10 IJEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccccc1OC(F)F)C1CC1 1286737708 QQMWDXXABDXWCV-UHFFFAOYSA-N 425.483 4.647 30 10 IJEE C=CCN(c1nnc(COc2ccc(Br)cc2)n1CC1(CC)CC1)C1CC1 1286739477 DWDWUYDBMXWOFX-UHFFFAOYSA-N 431.378 4.965 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1Cc1cnn(-c2ccccc2)c1 1286749959 JLEJJRLDVJOATI-UHFFFAOYSA-N 432.597 4.965 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CCc1nccc(C(F)(F)F)n1 1286755605 GAOGHXQXVJQMPM-UHFFFAOYSA-N 442.489 4.737 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)c1nc(C)cs1 1286758412 MNUWXPRNAQJMPC-OXJNMPFZSA-N 437.569 4.538 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(C#N)c(F)cc2C)nnc1-c1ccc(Cl)cc1 1288512925 GZZUMXMWTXQNTJ-UHFFFAOYSA-N 441.919 4.835 30 10 IJEE C[C@H]1C[C@H](C)CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCCCCCC2)C1 1291012694 CWAOAZLWQCGPJF-VXKWHMMOSA-N 434.632 4.955 30 10 IJEE COc1cc(C#N)ccc1OCC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 1298732307 CZGZSMBOLNYQTB-FQEVSTJZSA-N 434.458 4.738 30 10 IJEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccccc1C 1300371678 HJXVGZORCXMMMS-IBGZPJMESA-N 435.597 4.579 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1300650826 XZTXHNVASIMJIZ-QPPBQGQZSA-N 438.591 4.851 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H](CC)N1CCCC1 1300650858 YYPKQDFNZDBTTM-QFIPXVFZSA-N 425.596 4.520 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(C)(C)C)C1 1300829537 GTYKYVFJYYCSTK-MRXNPFEDSA-N 449.393 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1ccccc1F 1300886644 ZVEUOVXRGPEFAB-YHBROIRLSA-N 428.552 4.837 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOCC2(CCC2)C1 1300980086 KISXDEONKRRTIN-UHFFFAOYSA-N 438.616 4.842 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CCSC2)C1 1300999920 KDFGREWEXVFJLP-QHCPKHFHSA-N 444.670 4.805 30 10 IJEE C=C(Cl)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(CCCO)CC1 1301023047 AZPCOGMTCQTVCT-HNNXBMFYSA-N 435.037 4.873 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1301071153 YGRKORCSQBVRHC-QFIPXVFZSA-N 445.405 4.805 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1301089052 PKCVSXKHXLQMNX-NHCUHLMSSA-N 427.662 4.845 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCSCC3)CCCC2)CC1 1301126277 RYXSTSHCRBOTEM-UHFFFAOYSA-N 431.694 4.631 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(CC(C)C)c2C)CC1 1301127405 LYZJLICHSRZLBY-UHFFFAOYSA-N 436.579 4.620 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC2(CCC2)C[C@H]1CC 1301175643 GUPICFJEOYSIBZ-HXUWFJFHSA-N 442.629 4.864 30 10 IJEE C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@H](c1cccs1)N1CCCC1 1301310067 WFHRTUOMJHASAQ-LJQANCHMSA-N 441.576 4.517 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1Cc1ccnc(OC(F)F)c1 1301350814 AJFQZGXOBFZLSM-UHFFFAOYSA-N 443.473 4.922 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@]1(C)CCCS1 1301355253 TUDHIOVFCGFWSB-XMMPIXPASA-N 437.588 4.881 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)C1CCCCC1 1301365383 NICVHZURKXVMRC-NFBKMPQASA-N 430.618 4.715 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCN(C2CC2)C1 1301379459 LSJFLQJXHMBVLY-INIZCTEOSA-N 432.399 4.915 30 10 IJEE CC(C)(C)[C@H]1OCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1 1302118996 GFHCTWLEHPJVAZ-GMAHTHKFSA-N 427.637 4.982 30 10 IJEE CN(Cc1cccc(C(F)(F)F)c1)C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 1307598953 DXRWPSNZTVQUCW-UHFFFAOYSA-N 444.501 4.502 30 10 IJEE C=CCSCCNS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1 1309391462 YYVLSTRQUTUXBP-UHFFFAOYSA-N 446.363 4.578 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CN1Cc1ccccc1 1310210714 FIVRIYJYVPWJBX-XMSQKQJNSA-N 427.508 4.530 30 10 IJEE C[C@H](NC(=O)Nc1nc(Cl)c(C#N)s1)c1cccc(NC(=O)c2ccccc2)c1 1310857877 IAAQNISBMCKDCG-LBPRGKRZSA-N 425.901 4.803 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 1313392124 HPSNGJHPLJLJHE-UHFFFAOYSA-N 432.546 4.710 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)CCCN1C(=O)OC(C)(C)C 1356164092 GMAXGVFHCWCAPR-XMMPIXPASA-N 442.535 4.913 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(=O)n(CC)c(O)nc2c1)c1ccc(C(F)(F)F)cc1 1357298976 XPYJCRVRZQQDBT-GOSISDBHSA-N 445.441 4.578 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 1357743593 IKJJVEDHXOYVCI-XMMPIXPASA-N 447.579 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1CCCc1ccnc(C(C)(C)C)n1 1358878375 VPZMXMYQMITQHA-SFHVURJKSA-N 442.567 4.870 30 10 IJEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359076607 GZPBLNWBMAAFRB-HNAYVOBHSA-N 449.393 4.504 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCNc1ncc(Cl)cc1Cl 1359111049 MPIWTIMVHPHSEX-UHFFFAOYSA-N 432.359 4.556 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1359162181 HDTFJQQAPKUCBU-OALUTQOASA-N 444.023 4.884 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1359168444 USMCFCVGCWCHKL-QHCPKHFHSA-N 437.632 4.751 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1359175924 FZNJXRWXSDOXPO-QZTJIDSGSA-N 440.588 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCCOC(C)C)CC1 1359177600 UONQMZIZXZZKAV-UHFFFAOYSA-N 434.588 4.738 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359185144 MKOGYCWKDYFNDL-GOSISDBHSA-N 443.592 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1359186676 PECUPFRZLVVDAJ-OAQYLSRUSA-N 441.526 4.742 30 10 IJEE C=CC[C@@H](Cn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1C(C)(C)C)c1ccccc1 1359195427 MKWJEABUMNBVHE-LVXARBLLSA-N 438.616 4.710 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1ccc2c(n1)CCCC2 1359255238 SFWONVADSUVNSL-UHFFFAOYSA-N 426.568 4.788 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1)C(C)C 1359265148 ZLHDTMHCAKJVOZ-IMSXRSKXSA-N 432.616 4.608 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CC(C)(C)c1cccs1 1359278152 KAKUDQGSIHHWJW-LJQANCHMSA-N 426.586 4.997 30 10 IJEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCCCC2)C1 1359286996 FXCKYYVKHZJXSV-IBGZPJMESA-N 429.609 4.739 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1359310714 DNRWTHIBKZTPMA-LJQANCHMSA-N 437.613 4.857 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1359346668 RGUFLEGPBIOGPE-RBUKOAKNSA-N 432.659 4.802 30 10 IJEE C#CCN(C(=O)c1cc(C)nc2ccccc12)[C@@H]1CCOc2ccc(Br)cc21 1435175918 NUHIZTLYVCGKHZ-OAQYLSRUSA-N 435.321 4.905 30 10 IJEE C#CCCOc1ccc(C(=O)N(c2nc(C)c(C(=O)OCC)s2)[C@H](C)CCC)cc1 1435231489 MQFYNFLVABBHLY-MRXNPFEDSA-N 428.554 4.866 30 10 IJEE CC1CCC(N2C[C@H](C(=O)OCc3ccccc3Oc3ccccc3C#N)CC2=O)CC1 1436238703 HOGJTBLNGGSFRH-NFOQDIRWSA-N 432.520 4.821 30 10 IJEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N[C@H](C)CCC)c(Cl)cc2Cl)cc1 1439975238 ZSALGJFXADKFCI-CYBMUJFWSA-N 439.364 4.694 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 1464427730 YYPGSZZJKHMTFS-UHFFFAOYSA-N 444.512 4.708 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(Br)c1 1465029989 CDOIUCCSOBGEOD-HNNXBMFYSA-N 427.339 4.646 30 10 IJEE C=CCC[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 1466281243 DPLPVFIPZKWLCQ-NRFANRHFSA-N 445.485 4.597 30 10 IJEE COc1ccc([C@H](CNC(=O)Nc2scc(C(C)(C)C)c2C#N)N2CCCC2)cc1 1466646425 CIGRUDJQJZZLCF-FQEVSTJZSA-N 426.586 4.884 30 10 IJEE C[C@@H](NC(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccc(N2CCCNC2=O)cc1 1466648290 IEBMZZJVCYHKND-CQSZACIVSA-N 425.558 4.720 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 1466914576 ADNLUCNRUFDKIN-SFHVURJKSA-N 433.335 4.883 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)cc1 1470253979 TVIIMWSPNXRKDB-HXUWFJFHSA-N 427.342 4.584 30 10 IJEE C#CCN(C(=O)c1ccc(Oc2ccccc2C)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881328 KUQUXMKSUIKMOK-UHFFFAOYSA-N 449.551 4.657 30 10 IJEE C#CCN(C(=O)Nc1sc(C)nc1CC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1476285930 DYHGBLSBJNJMCF-UHFFFAOYSA-N 434.606 4.517 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C(F)(F)F)O[C@@H](C)C1 1476728814 DCABJQLEKLIUHZ-XHDPSFHLSA-N 437.256 4.588 30 10 IJEE C#C[C@H](NC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F)c1ccc(Br)cc1 1477151223 OIPBEYMWICEQOE-WMZOPIPTSA-N 425.248 4.900 30 10 IJEE COc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1CC1(O)CCCCCC1 1504379961 AHYLBDSQWNKJBD-UHFFFAOYSA-N 439.604 4.805 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C2CCC(C)CC2)CC1 1507568197 VSFPKGACGADZDU-UHFFFAOYSA-N 433.644 4.682 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507697946 GHYWKXWSIGRCTE-LAUBAEHRSA-N 431.005 4.665 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1507762594 WCVBPVNFIFKFEZ-XLGIIRLISA-N 431.584 4.650 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H](C)CC#N 1507799706 XEVFQJJOITXXCW-FBAVSBLXSA-N 439.629 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCC[C@@H]1C 1507816577 OSWMRMZCCYHFDK-DFBJGRDBSA-N 442.604 4.694 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2cc(C)cn2)CC1 1507898355 XEPCYPRWCWWNCN-GOSISDBHSA-N 440.979 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1507910928 FIVKZHCTKJEVFL-IYBDPMFKSA-N 433.394 4.924 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1507931893 HVJOSHWUARAMAA-HXUWFJFHSA-N 436.629 4.950 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1507947749 JTFOZJBVDBTLBD-TZIWHRDSSA-N 426.561 4.845 30 10 IJEE C=CCCCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2)C1 1507954027 OWWINAOLNCGWNC-HXUWFJFHSA-N 441.645 4.610 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1csc(-c2ccco2)n1 1507986412 ZPCNIVNIIBNSNR-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC(N(CC)CC)CC1 1508051289 KYQGAWASIOYZCB-UHFFFAOYSA-N 436.629 4.874 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(OC(C)C)CC2)cc1 1508101293 WUUFCUCMQJALLW-QHCPKHFHSA-N 440.588 4.527 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](CC)C1 1508151115 VAUPZSWIUXUJHL-SFHVURJKSA-N 432.659 4.810 30 10 IJEE C=CCN(C(=O)c1cccc(-c2nc(C)cs2)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1516155442 JYGKONBJLCDKRA-QFIPXVFZSA-N 434.561 4.921 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)C(F)(F)F)cc1 1521343775 JAOKNTUVPKGTGW-GOSISDBHSA-N 431.389 4.972 30 10 IJEE C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1530117096 ZBKVNRUBZPMFOU-KDURUIRLSA-N 426.582 4.724 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)N(C2CC2)[C@H]1c1cccc(OC)c1 1530534006 SMITUNKHBSBXBF-UGKGYDQZSA-N 444.984 4.677 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C=C)c1 1535158569 DDDCUXLTWSTZCJ-AWEZNQCLSA-N 439.364 4.679 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 1536563152 JVIGKBROUSQLRS-QFIPXVFZSA-N 442.600 4.870 30 10 IJEE C=CCCC[C@H](C(=O)NCC(=O)Nc1cc(Br)ccc1C)c1ccccc1 1536590623 FCNGZQUDGDMLOU-IBGZPJMESA-N 429.358 4.952 30 10 IJEE CC(C)Oc1cc(Br)cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 1539471998 CCPHXDKCJQSOAO-HNNXBMFYSA-N 446.320 4.712 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1539685961 AWBJZJJNUOSWDO-QZTJIDSGSA-N 433.394 4.924 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C)[C@@H]1C 1539735083 FHSOQKMSIODVAU-GJZGRUSLSA-N 437.357 4.674 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 1539855527 YEWCPFDIUDVWKL-SFHVURJKSA-N 445.633 4.590 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@H]1C(=C)C)C1CC1 1540095825 WTOZSXRYLXSLOE-XLIONFOSSA-N 443.389 4.844 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C(C)(C)C 1540136309 GPRPIAPTGSNDEA-LEWJYISDSA-N 430.568 4.913 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCSCC(F)(F)F 1540141644 CXLIODNAWINCKN-UHFFFAOYSA-N 439.532 4.890 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H](C)Oc2ccccc2F)n1CC(F)(F)F 1540182074 IIKPACQAYPGNPM-HNNXBMFYSA-N 438.425 4.948 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(CC)C[C@@H]1CCCO1 1540855295 LZCOKPGYJCOVCV-AWEZNQCLSA-N 425.758 4.552 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1ccco1 1540880831 RHCFQOZGPVNNPL-LJQANCHMSA-N 429.524 4.667 30 10 IJEE C=CC(C)(C)CC(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1542064855 ZFTXEZMANSTOLI-HNNXBMFYSA-N 436.478 4.563 30 10 IJEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(F)(F)F)CC2)C[C@@H](C)O1 1543650959 FCDBUMFVMNAQBK-ALXJQNPVSA-N 447.505 4.799 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C)C(=O)OCC 1544345694 VZPGYGQJFWXBHD-CQSZACIVSA-N 446.878 4.941 30 10 IJEE CN(Cc1ccsc1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C(C)(C)C)s1 1554192321 FBJPPMNGZOTAJQ-UHFFFAOYSA-N 449.609 4.712 30 10 IJEE CO[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1554629834 ACLXXMUEOOXMFC-QFZWGZQFSA-N 439.604 4.836 30 10 IJEE C[C@@H]1[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCN1Cc1ccccc1 1556896987 BCKQJUMPXWGKQQ-FQRUVTKNSA-N 425.532 4.938 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 1559518360 SAUZKNLDGBKFRI-CYBMUJFWSA-N 436.281 4.512 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 1559766254 CWQVGUSLSGHKGL-DEOSSOPVSA-N 446.453 4.586 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)cc1 1562262751 AYHNPNSYXPVIEM-IBGZPJMESA-N 439.478 4.512 30 10 IJEE CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1564335244 ADYSWUWLDGRCON-HXUWFJFHSA-N 434.584 4.508 30 10 IJEE C=C(C)[C@@H](NC(=O)NCC1(N(C)Cc2ccccc2)CCOCC1)c1ccc(F)c(F)c1 1564597581 XXZBYYPZQXLDKA-HSZRJFAPSA-N 443.538 4.562 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2cccc(F)c2F)CCCC1 1567544221 JOTXQFFEWFIPET-UHFFFAOYSA-N 437.490 4.957 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 1567756876 DVWDUYLNJGMEPR-INIZCTEOSA-N 447.885 4.539 30 10 IJEE C#CC[C@]1(C(=O)N2C[C@H](C(C)C)Cc3cc(OC)ccc32)CCCN1C(=O)OC(C)(C)C 1584277915 UPFNZXSFGRPNHS-FQRUVTKNSA-N 440.584 4.650 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3ccc(F)c(Br)c3C2)cc1OC 1586851162 MRIFZWRTIHWLSW-WEVVVXLNSA-N 446.316 4.760 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H](C)N1CCCCC1 1587922224 WGMHXOIDLSLPPX-NRFANRHFSA-N 444.627 4.687 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN1CCCC[C@@H]1CC 1587932057 KFZQKGBUWTZSIQ-FQEVSTJZSA-N 425.646 4.609 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCCSC1 1588434169 WDRUVCJEJDWZTO-LJQANCHMSA-N 447.048 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](CC)c2ccccc2)n1CC(C)(C)CN1CCCC1 1589150899 NMOXZKXCLBEFHT-WNCULLNHSA-N 433.644 4.934 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1589675531 FIQNBALJNOCAAF-IRXDYDNUSA-N 437.613 4.969 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](c2cccc(C)c2)C1 1589722187 XUROJWRXSJFYSN-SFHVURJKSA-N 440.389 4.925 30 10 IJEE C=CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C)C1CC1 1595058122 BDQXFXXQMPAOEP-PKOBYXMFSA-N 431.625 4.667 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1(CC)CCOCC1 1595093656 GUWHZEAHDWFOOS-QHCPKHFHSA-N 449.599 4.791 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1Cc1ccccc1Cl 1597602468 XJXLGVSXQODUBL-FUHWJXTLSA-N 427.372 4.909 30 10 IJEE CC[C@H](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1613137254 BSLAVCGFYBLSTN-OFAXGOBFSA-N 437.588 4.621 30 10 IJEE C=CCOc1c(Br)cc(CNCCc2ccnc3ccccc23)cc1OC 1620999624 ZNOCMTUCHOOQLL-UHFFFAOYSA-N 427.342 4.903 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1)c1ccc(F)cc1 1623205315 AHOBNTSZGIGWBM-NRFANRHFSA-N 432.451 4.687 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 1624366924 XYIFUHQHWATFRO-BJKOFHAPSA-N 432.564 4.662 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)cc1 1625682512 XILKITZDHBUICE-UHFFFAOYSA-N 441.531 4.973 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 1628588577 YWRSQWBBOYVLSZ-QFBILLFUSA-N 447.963 4.956 30 10 IJEE C#C[C@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 1628629235 ZJQABHKSUZPCNU-RBFDBLARSA-N 437.326 4.752 30 10 IJEE Cc1cc(F)ccc1-n1cc(O)c(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)n1 1630579026 AHAQZTZMXNRMTB-AWEZNQCLSA-N 446.404 4.599 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(SCCOC)cc1)c1ccc(Br)cc1 1631332345 KMFPWSOFNLOALZ-QRWLVFNGSA-N 447.398 4.922 30 10 IJEE C=CC[C@@H]1N(C(=O)Cc2csc(NC(=O)c3cc(C)ccc3O)n2)CCCC1(C)C 1639772520 NLDBDIWFRLARAI-IBGZPJMESA-N 427.570 4.545 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c(Cl)c2)nnc1-c1cccc(OC)c1 1643757895 XJKSZOKATZLTTM-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 1648878394 XWDAPVLMQKNROE-PGRDOPGGSA-N 438.490 4.850 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@H]2COc2ccc(Br)cc2)cc1OC 1652961407 AKKGTIPYGBLANE-SFHVURJKSA-N 446.341 4.706 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C/C=C\c2ccc(Cl)cc2)CC1 1653176182 AJMZACVUIPCKHQ-XASPDOEXSA-N 430.777 4.998 30 10 IJEE C#CCOc1ccc(Br)cc1CNC[C@@H](O)c1cc(Cl)cc(Cl)c1 1655613981 BSXKQOXDAVPZFP-QGZVFWFLSA-N 429.141 4.591 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccc(OC(F)(F)F)c1 1656773118 IAWZCGQGITWSGI-SECBINFHSA-N 431.329 4.783 30 10 IJEE C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CN1Cc1ccccc1 1661200749 DNHWZWMHKVRZLT-SJLPKXTDSA-N 446.473 4.879 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1cccc(Sc2ccccc2)c1 1663868932 WNWXZBJSJBDBPT-UHFFFAOYSA-N 429.563 4.690 30 10 IJEE C#Cc1ccc(NC(=O)N(C)Cc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)c(Cl)c1 1664985893 SIBPFPFDNBSOEC-HDICACEKSA-N 425.960 4.594 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1c(Br)cncc1Br 1681325705 ITYKEPZCHSUGEZ-NHYWBVRUSA-N 431.172 4.541 30 10 IJEE C=C1CCC(CNC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 1683957651 SPEDUTHVMZGMHD-UHFFFAOYSA-N 434.378 4.556 30 10 IJEE C#CCN(C(=O)N[C@@H](COCCC)Cc1cccc(Br)c1)C1CCCCC1 1686179377 XQNNXWRRYNYAIL-HXUWFJFHSA-N 435.406 4.764 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1 1686217725 KVUXKKQZUSMEJM-FQEVSTJZSA-N 431.305 4.551 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(C)(c3cccc(Br)c3)CC2)cc1 1686549765 KLZLEEYZNFZIOQ-UHFFFAOYSA-N 441.369 4.724 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C)c1ccc(Cl)cc1F 1686922163 BTHVMSFHZMVOKF-OPAMFIHVSA-N 436.918 4.622 30 10 IJEE C#CCCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1689883135 YVTQGUPIQDGQDD-AREMUKBSSA-N 431.584 4.938 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@H](SCC)C1 1689904122 LGSLORNICHBUSL-NRFANRHFSA-N 430.593 4.912 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1689926701 VYSSAZVOMDGZLP-VWLOTQADSA-N 433.556 4.655 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1689934451 WVLLFEBHSGOERW-HXUWFJFHSA-N 444.963 4.714 30 10 IJEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CC[C@](C)(CC)O1 1690034280 CEUDSYFOTAYUBG-OZXSUGGESA-N 430.596 4.559 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCCCCC1 1690165813 KIDPZXISKYWTEN-UHFFFAOYSA-N 442.629 4.879 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccoc1C 1690253481 RBJGFWOFDZJCBQ-WMZHIEFXSA-N 440.519 4.515 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC1CCN(Cc2ccccc2)CC1 1690268559 PNRURQAOXSOASV-UHFFFAOYSA-N 444.627 4.579 30 10 IJEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1690316729 KTCPSLXQHDTGJL-UHFFFAOYSA-N 438.616 4.847 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1690406685 ONVSBOGIDGKUOL-OYRHEFFESA-N 437.632 4.544 30 10 IJEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1690503129 RBWSSYMTTXVGCU-NRFANRHFSA-N 430.543 4.972 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(N2CCC[C@](C)(OC)CC2)nnc1C(C)(C)C)C(C)C 1690583454 LMIGWOXPKUCOPF-OFVILXPXSA-N 431.669 4.670 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)CCc1nccs1 1690738638 UDANLOTZENVJHI-UHFFFAOYSA-N 436.610 4.548 30 10 IJEE C=CCSCCn1c(C2CC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1690742693 YJPXWDDSAABFTI-UHFFFAOYSA-N 430.593 4.764 30 10 IJEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@](C)(O)CCC(C)C)cc1 1693162143 HLUZCWLVBFRKPZ-DHIUTWEWSA-N 445.608 4.508 30 10 IJEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)Cc2cccs2)CC1 1693725074 AVOIYLRIPIDJBS-IBGZPJMESA-N 435.597 4.905 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCC2(C)C)C1 1697210982 AWDGFJGRFIEBAP-CJFMBICVSA-N 437.588 4.560 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1705505627 MHIKRJBKYWKLJG-RZUBCFFCSA-N 426.630 4.932 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1CCCSCC 1705670402 SDKAPDMXXKHEGL-GOSISDBHSA-N 439.448 4.904 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccc(CSC)cc1 1705676327 XMECUUUJAVGRTK-HSZRJFAPSA-N 437.638 4.537 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(F)(F)F 1705720612 JHXAGMYRXNOEPL-IYBDPMFKSA-N 445.530 4.794 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@H](C)C1CCC1)c1ccccc1 1705743653 DWVBXJARVBKPHP-LJQANCHMSA-N 449.624 4.998 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCOC2(CCCC2)C1 1705812579 FBJSJTWSKWGHQI-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CC[S@@](=O)CC 1705865070 FPHMVUGJQHRHCF-NDEPHWFRSA-N 435.018 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC1(C)C 1705870263 FERAIANDBVIAOY-OAHLLOKOSA-N 431.378 4.941 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[C@@H]2CC)C1 1705928648 GXSICGBLNKQHBX-XUVXKRRUSA-N 428.552 4.604 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@H]1C(=C)C 1722300543 ZYIFOQGAUHLLBU-BKSPAHHJSA-N 436.600 4.728 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)c1ncc(C)s1 1722404229 VQKNXWNIMDBFFB-CQSZACIVSA-N 429.977 4.635 30 10 IJEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C1CC(C(C)(C)C)C1 1722427900 TXUYJKZUKAGBTE-UHFFFAOYSA-N 430.980 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CC1(N(C)C)CCC1 1722501569 HOCRHMDXXXQPQO-UHFFFAOYSA-N 438.439 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H]1CC 1722584207 BUDRGGYELAPOII-FXAWDEMLSA-N 430.618 4.576 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccccc1 1722593980 DDUZPZMMSNABPO-QFIPXVFZSA-N 439.604 4.676 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](OC)C(C)(C)C 1722632375 RAYOWMXPXTZOSS-INIZCTEOSA-N 425.346 4.530 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(OCCC)nc1 1722636057 XPRTZVUVEJIDAG-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1cccs1 1722657429 AXIRIJILMZWNSV-RDPSFJRHSA-N 438.597 4.682 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722674321 BLKCGTKDESOUNR-LVXARBLLSA-N 448.615 4.679 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1722740375 OQHVKIGAZXHHGG-UHFFFAOYSA-N 428.577 4.703 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCC1(F)F 1740559820 VPFPQVGFQCZUOU-MSOLQXFVSA-N 432.515 4.539 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCCCCC1 1740579847 WMMOBUZPFPKXAG-FQEVSTJZSA-N 429.609 4.924 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)c1ccccc1 1740582838 ISPHURSSLYTCQS-MRXNPFEDSA-N 426.362 4.689 30 10 IJEE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@@H]1C 1740711688 RQGIZYXJUCSSGF-ICSRJNTNSA-N 433.625 4.954 30 10 IJEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1740719804 LRQDYCFQGWGXSI-XMMPIXPASA-N 447.652 4.708 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1740807675 JSTNODFMKJRWPH-UHFFFAOYSA-N 445.310 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1740835965 KWSCUIMVCKHLKG-WAIKUNEKSA-N 432.515 4.500 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)N2CCCCC2)CC1 1740841026 GXELPHUAKMPJGC-UHFFFAOYSA-N 437.632 4.567 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740869800 ZZRYIUQXACWALE-IEBWSBKVSA-N 444.421 4.655 30 10 IJEE C=CCCCn1c(N2CCC3(CCC(F)(F)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740881234 BUDZGRRAMIJMGF-JOCHJYFZSA-N 438.563 4.691 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1C1CCC1 1740995122 AIVWXDDKICTHDX-OAQYLSRUSA-N 439.629 4.835 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CC2CCC(C(F)(F)F)CC2)C1 1741983432 BJLHWGGBMUQIAJ-MYKUNDNFSA-N 432.494 4.839 30 10 IJEE COc1cc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)ccc1Cl 1748528982 GJGTWEXNDNIPAC-CVDCTZTESA-N 443.979 4.554 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1749195293 IXGPRWPUJVNJFV-MGPUTAFESA-N 430.524 4.751 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCc2cnn(C)c2)CC1 1749347210 MNOSJXCXYVWSIZ-UHFFFAOYSA-N 436.629 4.648 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749355425 IKJRBMWRHHTXIG-SFHVURJKSA-N 429.996 4.505 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1749404206 VQSKNBLBXNVQAB-UHFFFAOYSA-N 441.645 4.781 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1749404357 WWPCQDFYDKPLBS-GOSISDBHSA-N 444.004 4.913 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCc1ccc(Br)s1 1749494726 SSGFXMMUGSTVIL-UHFFFAOYSA-N 435.366 4.697 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)c1cccc(C)c1 1749551020 PFKMDAUKQXXYRO-GHTZIAJQSA-N 435.597 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1Cc1cc(C(C)(C)C)no1 1749553280 INDFNELHBUEFAK-UHFFFAOYSA-N 448.596 4.852 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCc2cccnc21 1749560910 CZDHNUJNNPFTKQ-FQEVSTJZSA-N 445.567 4.656 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)CCCC1 1751276396 CRAFRMDBLIXZKW-QZTJIDSGSA-N 445.011 4.684 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H](c1ccco1)N(C)C 1760243037 BDWWPZMHYUHWSN-HSZRJFAPSA-N 449.574 4.686 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N1CCC(C)CC1 1760296840 ZTTXYOOUXDTMJF-NBGIEHNGSA-N 440.035 4.635 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(F)(F)F 1760322445 SPRNQBLTBUVYQJ-CRAIPNDOSA-N 428.886 4.502 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1coc(-c2ccccc2)n1 1760339677 REIDTLZWJYTQMO-UHFFFAOYSA-N 434.569 4.740 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1760415563 CZAWMIIEJUZCLX-QGZVFWFLSA-N 447.649 4.749 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCSC1 1760490805 KAUGUAVSBBJVGF-CQSZACIVSA-N 437.382 4.778 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1CCc1cnn(-c2ccccc2)c1 1760498558 VUKGWIVZZSRZIM-UHFFFAOYSA-N 444.583 4.832 30 10 IJEE CC(C)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCC[C@@H](C)C2)C1 1762878738 BQPCIOSZOFOURD-LGVFNWMJSA-N 434.632 4.810 30 10 IJEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CCS1 1765307345 GTBWIMAXTNOFNF-NRFANRHFSA-N 425.602 4.641 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@H]2CCN(Cc3ccccc3)C2)cc1OC 1772569595 COMYEHWWQUOCJI-IBGZPJMESA-N 445.401 4.634 30 10 IJEE C/C(=N\OCc1cc(=O)c(OCc2ccccc2)cn1C)c1ccc(Br)cc1 1857938488 USMRVVRXRQXNMQ-LFVJCYFKSA-N 441.325 4.668 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2OCC(=O)O[C@H](C)CC)c1 1858741701 ZNQQRDUTZKKYMR-QGZVFWFLSA-N 425.529 4.892 30 10 IJEE Cc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4cccc(C#N)c4)CC3)n2)cc1C 1860633624 XZUGIBOIXVRERW-UHFFFAOYSA-N 444.560 4.790 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccccc2)cc1 1862401774 JFDJVGAUKSULKG-DEOSSOPVSA-N 443.499 4.791 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2F)cc1C 1862402634 CYYOWGRTUZBFJL-NRFANRHFSA-N 439.414 4.653 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2cccnc2)c1 1862431886 QSKQQTOSCIXDCM-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(F)c1 1862445485 WRKRYHHENLHTHC-OAQYLSRUSA-N 444.934 4.789 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc3c(c2)OCCO3)cc1 1862479614 LRUWVAWGSMIJDW-JOCHJYFZSA-N 447.512 4.606 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(CC)CC)[C@H]2c2ccc(C)cc2)cc1 1862533764 OIUUYGROFKWTEM-DEOSSOPVSA-N 434.580 4.868 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)[C@H]2c2cccc(Br)c2)cc1 1862540598 RGUBCIIBQWTDLG-IBGZPJMESA-N 428.326 4.998 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C2CC2)cc1OCC 1862682893 FUNNFCCIHSKOBL-QFIPXVFZSA-N 439.483 4.754 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@H]2c2cccc(O)c2)cc1 1862686815 DEAQBGSMAKBZNX-MWTRTKDXSA-N 429.472 4.740 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839505 QTNJBZXUNHXFRI-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(Cc2cc(C)ccc2C)C1=O 1863437041 WNLNPWAMHOEJLZ-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCN(C)C)=C(c2ccccc2Cl)C1=O 1863777925 PWIZJRUXVSSDTL-UHFFFAOYSA-N 434.024 4.712 30 10 IJEE CN1CCN(c2cc(Nc3cccc(C#N)c3)nc(-c3cccnc3)n2)C[C@H]1c1ccccc1 1868553283 MIAJSVAVEVQCBY-DEOSSOPVSA-N 447.546 4.647 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(C)[C@@H](c3ccccc3)C2)nc(-c2ccccc2)n1 1869208097 IGDONJVFEDAANW-XMMPIXPASA-N 425.580 4.815 30 10 IJEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 1870142577 QFZQAYDUGXIGKG-QJOMJCCJSA-N 435.487 4.717 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(C24C[C@H]5C[C@@H](CC(O)(C5)C2)C4)CO3)C1=O 1871353471 RDDWFYLIVQHFJD-RYFGWZLYSA-N 449.572 4.908 30 10 IJEE Cc1c(OC(=O)C2CCC2)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871362411 ARJMWQRFZDKOOA-OCKHKDLRSA-N 426.852 4.837 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1 1871389251 MLFNBXSYGFDJNN-STZFKDTASA-N 429.428 4.541 30 10 IJEE Cc1cc(O)c(CN2CCCC[C@@H]2CCO)c2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2 1871395920 CLLFPSIEFAJGCK-QHSFOXILSA-N 446.547 4.545 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)NC3CCCCC3)cc(C)c2C1=O 1871438052 LRGWAPHFJVJCBV-UCQKPKSFSA-N 435.520 4.838 30 10 IJEE Cc1c(OCCN2CCCC2)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871449162 JELNBNZQMUMPNP-MTJSOVHGSA-N 441.911 4.606 30 10 IJEE CCCCCCCCN=c1nc(N(CC)CCc2ccncc2)[nH]c(=Nc2ccccc2)[nH]1 1871599634 WUIYAWPKHDXFKM-UHFFFAOYSA-N 447.631 4.695 30 10 IJEE CCCCCCCCNC(=O)c1cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc2n1CCC 1873571757 BSIHAVAMWUVJEB-RTBURBONSA-N 429.609 4.545 30 10 IJEE C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)Cc1c[nH]c2ccccc12 1873685537 YUWVUIQCWNLEEO-UHFFFAOYSA-N 447.560 4.786 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1ccccc1F 1874229105 UGDYLICBFXVDOL-BUVRLJJBSA-N 426.517 4.945 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(C)c1 1874369548 FWXOJRFOSSCFEZ-YDZHTSKRSA-N 428.945 4.834 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccc(O)c(O)c2)cc1 1874389059 GTJUIITUIJEOOE-VULFUBBASA-N 448.523 4.902 30 10 IJEE O=C(CSc1nnc(C(F)(F)F)n1/N=C/c1ccccc1Cl)Nc1ccccc1 1874458894 LINPGPLSKJLOTJ-AUEPDCJTSA-N 439.850 4.563 30 10 IJEE CCCCOc1ccc(/C=N/n2c(SCC(=O)N(CC)CC)nnc2C(C)(C)C)cc1 1874480895 GVXIDNFYRSOGAW-LFVJCYFKSA-N 445.633 4.597 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874503990 FUDXCONUEOZVQZ-ZVHZXABRSA-N 440.569 4.739 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2cccc(C)c2C)nnc1C1CC1 1874517948 SGJKFLDNRFZSNJ-SSDVNMTOSA-N 425.583 4.755 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OCC(=O)OC 1874602912 FRSSZNZFVJPCDI-DHZHZOJOSA-N 435.432 4.595 30 10 IJEE CCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1 1874661786 CIMKPAFAZQQLBY-XMMPIXPASA-N 434.584 4.657 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(F)c3)c2)c1 1874706941 HOEQWSGNDDZBRL-PKNBQFBNSA-N 436.435 4.723 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1OC(=O)CCOC 1875151764 BEFXBPXGXQDNDF-FNORWQNLSA-N 436.863 4.724 30 10 IJEE Cc1c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(-c2ccccc2)nn1-c1ccccc1 1891355080 RWSMINYMXWGEKE-UHFFFAOYSA-N 447.542 4.682 30 10 IJEE N#Cc1ccc(F)c(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1 1891374646 SPOOZSHMAAUSIQ-UHFFFAOYSA-N 437.478 4.722 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 1891579492 HQSGXUFUZGQXLJ-LBPRGKRZSA-N 449.370 4.999 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)COc2ccc(-c3ccccc3)cc2)c1 1891727368 QHWNVWPZTMMJGU-UHFFFAOYSA-N 442.559 4.777 30 10 IJEE CC(C)(C)OC(=O)NC1CCC([C@@](C)(C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC1 1912206985 VLWREAFIXVEMBE-CPAJTMIGSA-N 436.557 4.900 30 10 IJEE N#Cc1ccccc1[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 1951622979 FWXSLAUGFXHXLL-RPWUZVMVSA-N 438.483 4.607 30 10 IJEE N#Cc1ccccc1[C@@H]1[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1952859734 UXUVIQUMGOATLD-ILBGXUMGSA-N 438.483 4.955 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)C2(N(C)C(=O)OC(C)(C)C)CC2)cc1 2000204889 DUKLVESSZIQJES-GOSISDBHSA-N 431.533 4.728 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(C)s2)c1 2033814010 XQECWELYFDXBJF-LJQANCHMSA-N 425.531 4.905 30 10 IJEE CN(CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1)Cc1ccccc1 2034818222 KOUTZDAOUSNLSZ-UHFFFAOYSA-N 426.564 4.521 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(Cc2ccccc2)CC12CCC2 2098701219 FLHWRJRBEFSQIP-YTMVLYRLSA-N 448.651 4.935 30 10 IJEE CN(CCN(CC(F)(F)F)c1cc(Br)cc(C#N)c1)C(=O)OC(C)(C)C 2118201118 MQNLIGITBKEXNV-UHFFFAOYSA-N 436.272 4.556 30 10 IJEE C=C(COCc1ccccc1)[C@@H](N)c1c(NC(=O)OC(C)(C)C)cc(OC)cc1OC 2217422844 MYSWMWHXXOJFMJ-JOCHJYFZSA-N 428.529 4.824 30 10 IJEE C=C(COCc1ccccc1)[C@@H](C[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C)NCCC 2217949158 QVPBSKGCYOONJA-DHIUTWEWSA-N 446.632 4.932 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2235728499 RIJCJVOUILMNDI-QWFCFKBJSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2235734553 XLWUDVASBUURAC-ZULIPRJHSA-N 433.390 4.567 30 10 IJEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](O)C#Cc1ccccc1Br 2235740375 OFXSOAQLYFMYLS-WSTZPKSXSA-N 436.390 4.691 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C#Cc2ccccc2Br)C12CCCC2 2235742544 YFBHWCOOUMZWKC-MJGOQNOKSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255856172 XELTUYROYKDINW-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(F)c(F)c(Br)c(F)c1F 2267846255 UCGVUEDKXNTXSP-GLEZIHRCSA-N 441.263 4.735 30 10 IJEE C=CC[C@]1(COc2nc(C)nc(C)c2Br)CCCN(C(=O)OC(C)(C)C)C1 2287838047 QEUMTSZJEGZZGU-FQEVSTJZSA-N 440.382 4.828 30 10 IJEE O=C1NC(=Nc2ccc(Br)cc2)SC1=Cc1ccc(Cl)c([N+](=O)[O-])c1 2295491542 RLJWQNNYJVDVRM-UHFFFAOYSA-N 438.690 4.902 30 10 IJEE COc1ccc2c(=Nc3nccs3)[nH]c([C@@H]3CCCN(c4ccnc(C#N)c4)C3)cc2c1 2296586759 FIFYUSHRGPJIKA-MRXNPFEDSA-N 442.548 4.516 30 10 IJEE CCCCOc1ccc(C=C2SC(=Nc3ccc(OC)cc3OC)NC2=O)cc1OC 2314557588 QOPDPHZISGHHII-UHFFFAOYSA-N 442.537 4.783 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1N=Cc1c[nH]c2ccccc12 2320842468 VZSAQMVOWHVQDR-UHFFFAOYSA-N 444.564 4.867 30 10 IJEE O=C(Oc1ccc(C=Nn2cnnc2SCc2cccc(F)c2)cc1)c1ccccc1 2321253247 AMENTXLYOGRGBB-UHFFFAOYSA-N 432.480 4.811 30 10 IJEE Cc1c(OC(=O)c2ccccc2Br)ccc2c1OC(=Cc1ccccn1)C2=O 2322711942 BPKIEDBLHPCIEZ-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE COc1ccc(C)cc1C(=O)C=Cc1ccc(OCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 2323999633 VZONCYQMTCBWFC-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1F 2324107421 YJFPOFLNVMIYJT-GOSISDBHSA-N 433.479 4.987 30 10 IJEE CCOc1ccc(NC(=O)C(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 2325649596 RZXCUVMOSJBAQG-UHFFFAOYSA-N 431.488 4.894 30 10 IJEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2325715557 IWLXJRQFPFBGSE-UHFFFAOYSA-N 444.443 4.845 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2cccc(OC(=O)Cc3ccccc3OC)c2)c1 2325744225 HBFFGZNPHYGKLT-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1N=Cc1cccc(OC)c1O 2326122433 XTMROCZWTGUOPM-UHFFFAOYSA-N 446.960 4.836 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2C)n1N=Cc1ccccc1[N+](=O)[O-] 2327111249 UWJJGXVUDABUCV-UHFFFAOYSA-N 437.525 4.667 30 10 IJEE CCCOc1c(C=Nn2c(COc3cc(F)ccc3F)nnc2SC)cccc1OC 2327410402 CHQBWPRVIWIONQ-UHFFFAOYSA-N 448.495 4.537 30 10 IJEE C=CCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1OCCC 2328503255 NYTPEAJKWCFRHD-UHFFFAOYSA-N 437.525 4.726 30 10 IJEE C=CCSc1nnc(COc2c(C)cccc2C)n1N=Cc1cccc(OC)c1OC 2328559425 LLUKAMYRFJMPSQ-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE Cc1cccc(C)c1OCc1nnc(SCCCO)n1N=Cc1c(F)cccc1Cl 2328560301 CEIASAKFGZIDDT-UHFFFAOYSA-N 448.951 4.623 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccc(F)cc3)n2N=Cc2ccc[nH]2)c1 2328607679 DWMDIZMFELFHKO-UHFFFAOYSA-N 435.528 4.714 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(O)c(O)c1 2329805447 KFECFSNKCDYMSH-UHFFFAOYSA-N 448.523 4.902 30 10 IJEE CCCOc1ccc(C=Nn2c(SCCCO)nnc2-c2cccs2)cc1OCC 2330601706 AGHKYAZAOSJCBL-UHFFFAOYSA-N 446.598 4.551 30 10 IJEE CCCC(=O)Oc1c(Br)cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2331037132 IJBVGERUBUHUSV-UHFFFAOYSA-N 448.269 4.968 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(OC)cc1 2331085499 UYKXXIUNKARDMK-UHFFFAOYSA-N 443.617 4.567 30 10 IJEE COc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2331273586 SEEDGYSEAKJXFU-UHFFFAOYSA-N 447.443 4.792 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C3CCC3)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)c1 2331523210 HYUOCINLOGCEJH-UHFFFAOYSA-N 437.525 4.951 30 10 IJEE CC(C)(C)OC(=O)N1CCC=C[C@@H]1COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339576130 DUMYXDHNMRHUAJ-JKIKYLSZSA-N 442.365 4.671 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339598304 AQKAVCDKTUBYCK-RBUKOAKNSA-N 444.381 4.941 30 10 IJEE CC[C@H](NCC1CCN(Cc2ccccc2)CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363828387 DTBLAENMZRTSDL-SANMLTNESA-N 448.460 4.939 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1nc(=S)[nH]c(O)c1[C@H]2c1ccc(Br)cc1 4793580 UDXLLTWLSOCOTK-ZDUSSCGKSA-N 432.343 4.808 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)CC(C)(C)C2 13319798 OQPONTFTZQZSGR-HSZRJFAPSA-N 431.536 4.641 30 10 IJEE CCN1C/C(=C\c2ccc3c(c2)CCCN3C)C(=O)/C(=C/c2ccc3c(c2)CCCN3C)C1 20115620 QHBSPRQDIHOKST-RPCRKUJJSA-N 441.619 4.823 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C(C)(C)C)cc1 33752852 NHKIFAINPGWAAN-QFIPXVFZSA-N 433.504 4.955 30 10 IJEE COC(=O)c1ccc(/C=C\C(=O)c2ccc(OC(=O)c3c(OC)cccc3OC)cc2)cc1 34955296 QVOBTQAZKACMSU-SXGWCWSVSA-N 446.455 4.606 30 10 IJEE CCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)N(CC(=O)O)C2=C1C(=O)CCC2 35656200 VEVKWYJZEHJGHD-UHFFFAOYSA-N 443.927 4.627 30 10 IJEE Cc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)c(Br)c1 59303206 CHTNLKDZUARQCG-VXLYETTFSA-N 428.124 4.700 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 102532542 AMPUFZZAMWGBAY-FEYWKWKCSA-N 442.471 4.568 30 10 IJEE COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1OC 102905865 ROFPTKCGVSBWDP-RKKARLDVSA-N 449.890 4.984 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(OC)cc2)cc1 169923869 CZSGKEXZAIAQLC-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccn2)cc1 169926921 BFLJKWJHVNBFKK-NRFANRHFSA-N 434.879 4.522 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccs1)c1c[nH]c2ccccc12 169983230 GCPJJIZMOGFXOF-OAQYLSRUSA-N 444.468 4.741 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccccc2)cc1 170053506 MPRNXXCZOIZEIJ-RUZDIDTESA-N 440.499 4.747 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2F)c(C)c1 170071258 JIPWQMRFFODBRG-QHCPKHFHSA-N 442.446 4.797 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccccc1OC 170121880 ZLQMNZIVCWMHAX-JOCHJYFZSA-N 437.536 4.526 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1cccc(C)c1 170147054 DDUQSLQRZVVQNE-HXUWFJFHSA-N 429.900 4.654 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccncc2)c1 170199175 VOYKGFZIIFDYDE-JOCHJYFZSA-N 432.451 4.791 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cn(C)c2ccccc12 170269340 IOBGHNADBYEQFU-QHCPKHFHSA-N 432.520 4.874 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2sccc2C)s1 170312766 NNFKPEGZDRQFJY-HNNXBMFYSA-N 430.576 4.970 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2sccc2C)cc1 170314615 UVEZJESPBQRAMH-FQEVSTJZSA-N 435.501 4.944 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccc(OC)cc2)c1 170419685 RQZDLGQZFLGQSQ-DEOSSOPVSA-N 443.499 4.872 30 10 IJEE O=C1COc2ccc(-c3csc(=Nc4ccccc4F)n3N=Cc3ccccc3)cc2N1 254514216 NJKJUIIMPQOLQS-UHFFFAOYSA-N 444.491 4.801 30 10 IJEE CCN(CC)c1ccc(C=NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 263622351 QMLYSARPWSWWGJ-UHFFFAOYSA-N 435.620 4.749 30 10 IJEE C=CCn1c(SC[C@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1ccccc1OC 443462304 QQJVIWGOSMGVNF-MRXNPFEDSA-N 449.498 4.854 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)Cc1ccc(C)cc1 460555405 QDMGNNVHPJQBRB-SFHVURJKSA-N 428.540 4.546 30 10 IJEE N#Cc1ccc(CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCOC2)C2CC2)cc1 461615124 KQNPAFSUWUQGCW-LJQANCHMSA-N 433.943 4.676 30 10 IJEE C=CCC[C@H](NC(=O)N1CCCC[C@@H]1CC(=O)NCC)c1ccc(C(F)(F)F)cc1 500106875 QDQVNDPVCHOFGL-MOPGFXCFSA-N 425.495 4.803 30 10 IJEE N#Cc1ccc(N2CCC(c3nc(Cc4cccc(Br)c4)no3)CC2)c(F)c1 508038535 CUJIWIRZZOJQBE-UHFFFAOYSA-N 441.304 4.818 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 508798549 USMPVDHWUBRHAK-HOIFWPIMSA-N 440.494 4.849 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)nc2C)nnc1-c1ccco1 512400449 YRIVTYLLEGRSOC-UHFFFAOYSA-N 437.447 4.567 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2cccc(Cl)c2Cl)cc1 526826944 DPBKYEOIEYICFR-YVNNLAQVSA-N 435.336 4.854 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2/N=C\c2cccc(C(F)(F)F)c2)o1 526830301 VDYFVNAIDMCMOM-RMORIDSASA-N 438.431 4.550 30 10 IJEE C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](c2ccsc2)C1 549694099 WIXCWQIWBYJPKS-NRFANRHFSA-N 433.537 4.816 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 609356615 PXTMSELIMMQGDI-JWNTYJGQSA-N 431.536 4.534 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1 609828293 IIAAERJAHBVAQA-LJQANCHMSA-N 437.418 4.699 30 10 IJEE CCCOc1c(Br)cc(Br)cc1/C=N/[S@@](=O)C(C)(C)C 692030529 HWUNJCUQHBNMMR-ZUNINTSYSA-N 425.186 4.882 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NC 701299887 PFMISWYHVBHBRF-GJZGRUSLSA-N 433.337 4.717 30 10 IJEE C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)SC1=Nc1ccc(C(=O)O)cc1 725442992 NHLJEMRULTUDOP-KRWDZBQOSA-N 434.439 4.764 30 10 IJEE COc1ccc(-c2nnc(COC(=O)c3cccc(COc4cccc(C#N)c4)c3)o2)cc1 734592467 HQLZLTMSMOEAMI-UHFFFAOYSA-N 441.443 4.553 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1ccc(Cl)s1 802577311 CNTJWUPJNZFSRJ-UHFFFAOYSA-N 445.976 4.632 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 1126127202 FHDYURRECHSTJE-UHFFFAOYSA-N 443.326 4.635 30 10 IJEE C#CCN(C(=O)c1cccc2c1OC(C)(C)C2)[C@@H]1CCOc2ccc(Br)cc21 1126152092 XIJTYWHJLTXAJK-LJQANCHMSA-N 440.337 4.762 30 10 IJEE C=CCOc1ccc(CC(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)cc1 1126509875 KQFSIKZZFBXHSU-JOCHJYFZSA-N 446.513 4.707 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 1135399964 MNKQKUJKMTYTMP-OALUTQOASA-N 432.561 4.617 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 1136331613 FJHQLONNBNEQRU-HSZRJFAPSA-N 449.551 4.964 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 1136462732 UMDYSLNCDGMUPQ-FGZHOGPDSA-N 442.506 4.672 30 10 IJEE C#C[C@H]1COCCN1C(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 1142007770 BFDXCRAIYDOFNA-SANMLTNESA-N 441.596 4.962 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1cc(C=O)c2ccccc21 1143300325 KIHBJHQKADGGMP-UHFFFAOYSA-N 429.289 4.570 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2C(C)C)c1 1153359539 VTQSQGUEMJYZRA-UHFFFAOYSA-N 434.355 4.622 30 10 IJEE CCOC(=O)[C@@](C)(CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)CC(C)C 1156426563 BOJDMTOAROBWGS-XMMPIXPASA-N 448.007 4.550 30 10 IJEE COc1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)ccc1C 1167053982 HHIUPLADCCFFSD-UHFFFAOYSA-N 425.532 4.500 30 10 IJEE C=CCN(Cc1ccccc1)Cc1cc(C)cc(Br)c1OCC(=O)OCC 1204442029 VSPMNVZVAGVBAA-UHFFFAOYSA-N 432.358 4.888 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 1214886398 ZXSZSMRXQFTEDU-IRLDBZIGSA-N 445.922 4.916 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)c1 1215117494 OJSSLFSYVRSYBB-VGOFRKELSA-N 425.504 4.654 30 10 IJEE C=CC[C@@H](NC(=O)N[C@H](C)CCc1ccc(I)cc1)c1ccncc1 1222021438 IFRNMSMRCXXRMX-DNVCBOLYSA-N 449.336 4.624 30 10 IJEE C=CCC[C@H](NC(=O)NCc1ccc(N2CCNC2=O)cc1)c1ccc(C(F)(F)F)cc1 1230694653 VMUNLHVXZPBLQE-FQEVSTJZSA-N 446.473 4.742 30 10 IJEE C=CC(C)(C)CCNC(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 1233605172 SRSWKZHVMUHRQS-UHFFFAOYSA-N 435.612 4.722 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(Br)ccc1OC(F)F 1264834506 GVPUOCOGFLTYTL-UHFFFAOYSA-N 446.251 4.800 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 1265907666 YFRNOEDEAUWRSO-UHFFFAOYSA-N 440.503 4.819 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C3CC3)C2)c1 1266303647 RHWOMWMAGYIGAA-LJQANCHMSA-N 444.984 4.593 30 10 IJEE C#CCSc1ccc(COC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 1269308662 QYTHLGJRCMBEIE-UHFFFAOYSA-N 425.384 4.618 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1nnc(-c2ccsc2)o1 1276765984 GFSNDMXXCRPRDN-ZDUSSCGKSA-N 434.443 4.690 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CCCC1 1286293340 NWWBEVLDXUTMOL-PMACEKPBSA-N 443.636 4.821 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)CC=C 1286300555 BFSFUSLLIZUEAP-MRXNPFEDSA-N 431.378 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCSCc1ccccc1F 1286303824 DVOGRXZKXKXJJV-YFVAEKQCSA-N 444.620 4.727 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1286323585 KCZIGMOQWJRNAV-GOSISDBHSA-N 441.988 4.745 30 10 IJEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)C 1286324317 QKLDLNASDKRSMP-UHFFFAOYSA-N 434.588 4.522 30 10 IJEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1286335637 VEBIIBCKDPHGHR-OAQYLSRUSA-N 439.560 4.906 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 1286354291 KRAVMLJZKLXGNY-QFIPXVFZSA-N 438.572 4.669 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(OC)c(Br)c1 1286521972 FVWMXKIOVQJOGO-JOCHJYFZSA-N 445.405 4.678 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N(CC)CC 1286529155 USWDFEQEYHRFOC-FDDCHVKYSA-N 446.064 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(F)(F)C1 1286549107 DHHPAMCBYPYSAQ-DYVFJYSZSA-N 426.870 4.564 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CC1CC(F)(F)C1 1286559464 WRILQXBUIUKCBB-RBBKRZOGSA-N 430.543 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(C)(C)C 1286581928 WYAXSERYIPQKBF-LJQANCHMSA-N 449.640 4.815 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)cc1 1286669802 TYIBGLIWWJCSQO-UHFFFAOYSA-N 443.393 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1C1CCC1 1286675706 RKKONFGWDUBBND-GOSISDBHSA-N 427.618 4.641 30 10 IJEE C=CCCCCn1c(N2CCC(c3nccs3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286691910 UFDSLRRUMZBFDP-QHCPKHFHSA-N 445.633 4.516 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1286702842 YCCKGPZNZVAMOD-JOCHJYFZSA-N 436.648 4.711 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCc1ccsc1)C1CC1 1286734868 XSUHGZNEEHLJAB-UHFFFAOYSA-N 432.391 4.505 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCSC2)C1 1286801617 DXKHIUIIUSJEJO-GHTZIAJQSA-N 426.630 4.777 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1CCNc1ncc(Cl)cc1Cl 1288529193 GRCCBVUYGURFRJ-CQSZACIVSA-N 436.391 4.563 30 10 IJEE CCC(CC)c1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2ccccn2)on1 1291976696 IDYSWHPFEDHFDL-UHFFFAOYSA-N 441.539 4.788 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 1293176702 XXHBEGNTPWUQDH-GFCCVEGCSA-N 444.767 4.935 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC1=CCCCC1 1300303316 JIEFNCBMVWPVGS-CTNGQTDRSA-N 441.620 4.741 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCSCC(C)C 1300516398 NDOQISPZHMNFAJ-UHFFFAOYSA-N 445.430 4.560 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1Cc2ccccc2C1 1300969939 DZMUKJRCJWSVRY-NRFANRHFSA-N 437.588 4.530 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(F)(F)Br)CC1 1301065578 GTTYFVKCOCIEMA-ZDUSSCGKSA-N 445.283 4.701 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCC[C@H]2C)CC1 1301106971 ZEUDFRHRSIOZSX-BNIKKZEQSA-N 438.616 4.988 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1301196592 FGISJEHJOSZFKX-JOCHJYFZSA-N 437.588 4.509 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CCN1CCCC(C)(C)C1 1301334411 LLFLRLHGOBEYOU-UHFFFAOYSA-N 439.648 4.899 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CC 1301360237 YQVYUHKZVDXGIB-NRFANRHFSA-N 432.597 4.555 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc1 1309285044 XSZXWEULWSKLCS-GOSISDBHSA-N 444.597 4.869 30 10 IJEE N#Cc1ccc(NC(=O)NCc2ccccc2OCC(F)(F)F)cc1Br 1310712597 IDWZUJMAHADGBQ-UHFFFAOYSA-N 428.208 4.584 30 10 IJEE C=CCC1(CNC(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCCC1 1312129480 FTLMGVMYCOXKDR-QFIPXVFZSA-N 444.572 4.754 30 10 IJEE CCOc1ccc(O[C@@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccsc2)cc1 1314192108 ARDCGHLNYXZNOX-IRXDYDNUSA-N 425.558 4.522 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1Cc1cc(Br)cs1 1314739843 GLZSWKCKSFORLT-UHFFFAOYSA-N 444.402 4.956 30 10 IJEE O=C(/C=C\c1ccc(OC(F)F)cc1OC(F)F)c1ccc(C(F)(F)F)nc1O 1318341388 SJSBNZLMELPTSY-DJWKRKHSSA-N 425.256 4.905 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](OCCC)c1ccc(F)cc1C 1349069383 ZADQTPVJCQNPGJ-JOCHJYFZSA-N 430.472 4.731 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)C/C=C\c1ccc(Br)cc1 1352520050 HHYGKBOKVVSLKG-ALCCZGGFSA-N 445.309 4.982 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)cc1 1355429456 ZSRCOIKUGCXBBF-UHFFFAOYSA-N 446.890 4.887 30 10 IJEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(C)OCCc2sccc21 1359001491 WATKHBWUEZWQKH-NLFFAJNJSA-N 434.609 4.829 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2CCN(C)C(=O)OC(C)(C)C)CC1 1359162833 GRTGIITXESPDNJ-UHFFFAOYSA-N 431.968 4.622 30 10 IJEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1359228080 TWAXMPQLAWDAOW-LJQANCHMSA-N 443.661 4.789 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@](C)(O)c1cc(C)oc1C 1359234101 DGBVDPNFSPMHSN-IZHWHUGBSA-N 440.613 4.871 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC1CCC(OC)CC1 1359254682 ZUITVRWGWBBDRT-UHFFFAOYSA-N 435.572 4.680 30 10 IJEE C=CC[S@](=O)(=NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1ccccc1 1439951667 QAENTRHUJVRFKS-HHHXNRCGSA-N 448.382 4.737 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCC(OCc3ccc(Br)cc3)CC2)cc1 1440165938 RCUUUKHDMUMDDT-UHFFFAOYSA-N 444.369 4.764 30 10 IJEE C=CCC[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 1446507745 WBGWJMCHKUNVBQ-UXHICEINSA-N 427.342 4.626 30 10 IJEE C[C@H](NS(=O)(=O)c1cccc(C(=O)O[C@H](C)c2cccc(C#N)c2)c1)c1ccccc1 1457758764 DAJIBESKLBBJEV-ZWKOTPCHSA-N 434.517 4.516 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)cc1 1467488394 SNGBALMABGMCQH-DEOSSOPVSA-N 432.545 4.545 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)c1ccc(Br)cc1 1468537232 LGPSQFTZNOOXCF-VQIMIIECSA-N 425.330 4.696 30 10 IJEE C=CCn1c(SCC(=O)N2CCC[C@]3(CCSC3)C2)nnc1-c1ccc(Cl)cc1 1468964818 RXOXOFJYSPPYGJ-NRFANRHFSA-N 449.045 4.622 30 10 IJEE C=CCSc1ccccc1C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1471738477 JAQKGVGAPWTIFM-HOCLYGCPSA-N 444.519 4.740 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCCc1cc(Cl)ccc1Br 1476223342 PTIDZBIUJBLIEM-UHFFFAOYSA-N 425.685 4.618 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1)c1ccc(Br)cc1 1478579072 XAYVVZVVNVHYIZ-IRLDBZIGSA-N 434.337 4.916 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 1507560633 KCTKLOZHURCNPE-IBGZPJMESA-N 431.378 4.722 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507573154 DYCNARCPHWGARC-CEXWTWQISA-N 446.542 4.958 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@H](SC)C1 1507780231 NEXFBHUAKYVQDZ-AWEZNQCLSA-N 442.814 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(CC)CC 1507794317 HKLHXBIBXUARAP-APWZRJJASA-N 449.393 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1CC(=C)Cl 1507821792 LLZKRXLMXZFYFD-UHFFFAOYSA-N 425.758 4.775 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C[C@H]1CCCCO1 1507858171 GCCZEIOROLBQHR-LJQANCHMSA-N 442.947 4.875 30 10 IJEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)c2ncc(C)s2)CC1 1507886640 BPJIASYUFVFBIK-SFHVURJKSA-N 437.613 4.797 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCC[C@@H]2CCCCO2)CC1 1507892260 NWOUHYLDBRCBEC-NRFANRHFSA-N 440.588 4.762 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](F)COC)CC1 1507908810 GRERTWISNGEWKH-HXUWFJFHSA-N 430.568 4.542 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1507914494 JSJSQCZTVTUXIB-QFIPXVFZSA-N 435.547 4.968 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1507919508 OGLYUJLJLVZDSC-UHFFFAOYSA-N 441.664 4.842 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCO[C@H]1C(C)C 1507971815 COKQDOJGMDXNEF-KDOFPFPSSA-N 437.357 4.530 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C)nc2)c1 1510703994 BSUFTMVLQUHBQY-FQEVSTJZSA-N 432.572 4.779 30 10 IJEE C#C[C@H](C)N(C)C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1519871740 ZNJNOWCNFZAYSG-HNNXBMFYSA-N 431.483 4.676 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 1521715584 MEEPRLRMRWTMSY-UHFFFAOYSA-N 449.404 4.822 30 10 IJEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 1523663059 BLNPEFDQCCWOBQ-UHFFFAOYSA-N 449.532 4.632 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)NCC3(c4ccccc4Cl)CCCCC3)cc2C1=O 1527524427 AOHCOAKKAFAELG-UHFFFAOYSA-N 436.939 4.754 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccc(Cl)cc1F 1528110098 WPJCPAXVEFSUPT-QUCCMNQESA-N 446.906 4.544 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC23CC3)c1 1531356720 SKBXJFGNZVMBEE-OAQYLSRUSA-N 444.984 4.784 30 10 IJEE C=C(C)C[C@H](NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C(=O)OC 1535098186 OFYXMCSFYPBNNT-FQEVSTJZSA-N 440.569 4.595 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1oc(CCC)nc1C 1538974282 SDNWMPVKODTQJI-XLIONFOSSA-N 435.572 4.790 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1539035539 RPRQCXRBLUZZKX-QYZOEREBSA-N 446.064 4.802 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)c1nc(C)cs1 1539307216 QDVMLAORXMWSNW-OAHLLOKOSA-N 441.963 4.769 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1Cc1ccccc1 1539504493 IDPKPRRZUMUFRW-FQEVSTJZSA-N 438.000 4.571 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 1539534347 OTINMIGZHFFOLW-UVWWXKGLSA-N 435.616 4.629 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1ccccn1 1539566034 CDKFQZALHLEGFS-HHHXNRCGSA-N 443.595 4.919 30 10 IJEE C=CCc1ccc(OCC(=O)NC(C)(C)Cc2cccc(Br)c2)c(OC)c1 1539568275 XUYUGRYITPXQOS-UHFFFAOYSA-N 432.358 4.703 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCS2)CC1 1539897022 YSIYFFSYJAMCDW-LJQANCHMSA-N 428.602 4.554 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1539908800 ASYGJZYCZSQXPA-UHFFFAOYSA-N 444.023 4.943 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](COC(C)C)C1 1539912481 LEEYDYOVXIRBKK-LJQANCHMSA-N 437.588 4.659 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCCOC2)C1 1539948557 ZMZOQEFMTKIOBA-RUZDIDTESA-N 437.588 4.510 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@](C)(O)c1ccsc1)C1CC1 1540115625 HXJJJNQCWHRKRC-QFIPXVFZSA-N 444.988 4.635 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C2CC2)CC1 1540191536 NKHZMAOMWQBOOP-UHFFFAOYSA-N 445.405 4.845 30 10 IJEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCCCC1 1540908372 USBJWGFONUQMLF-UHFFFAOYSA-N 448.036 4.550 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1541512928 AZAKQAVCKLFFGY-PMACEKPBSA-N 434.588 4.865 30 10 IJEE N#CC1(CC(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)CCCCC1 1542083242 CNCWKFKZRQGTGF-UHFFFAOYSA-N 425.479 4.796 30 10 IJEE C#CCN(CC)C(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1542259589 GWSXJDDLQUHTIB-NRFANRHFSA-N 444.575 4.909 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CC(C)C 1542662220 QNDGKBSDFIRXLY-KBMIEXCESA-N 445.563 4.914 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cc1 1543576949 VMPIDFUSEPXNBK-VWLOTQADSA-N 433.479 4.764 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(C)c(Br)cc1F)c1ccc(F)c(F)c1 1561487827 SLMARBYTSPBOAQ-KRWDZBQOSA-N 434.277 4.771 30 10 IJEE CC1CCN(Cc2cccc(CNC(=O)N3CCC(c4ccc(C#N)cc4)CC3)c2)CC1 1563407626 CRBXEOZNMVZTRX-UHFFFAOYSA-N 430.596 4.879 30 10 IJEE COc1ccc(CCNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(Cl)c1OC 1564817259 CYZPAFSZCGSQJH-UHFFFAOYSA-N 429.948 4.639 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc(F)cc1 1564996401 WKMPQMHOLICJFD-FXAWDEMLSA-N 438.890 4.793 30 10 IJEE C=C(C)CONC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1565008368 MOMTYDZUCIHFJW-GOSISDBHSA-N 440.396 4.961 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)c2ccc(Br)cc2)cc1OC 1585444406 BQLHGNRGNPLONS-JCSUNJAGSA-N 430.342 4.956 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCN(C(C)C)C1 1588265767 GUGLYXGQEMKDBA-VQTJNVASSA-N 444.023 4.651 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(Cl)=C(Cl)C1 1589529957 QVCDIZBYMMKLKQ-KXBFYZLASA-N 434.371 4.529 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CC(F)(F)CO1 1589608970 SJHWDGGBPMZNTP-RDJZCZTQSA-N 436.572 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCO[C@@H](C)C2)CC1 1594077035 HCTMLNNEMIJYHB-IRXDYDNUSA-N 431.378 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1594484225 OVIFNEVLKUSGSO-KRWDZBQOSA-N 438.963 4.649 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1594544945 OTOQKSNBCVMXJL-QMMLZNLJSA-N 437.975 4.561 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1594720837 YAAKMLWFYUYYLC-HNAYVOBHSA-N 447.461 4.722 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1594914253 YUOABAPTSOCZFZ-WMZHIEFXSA-N 434.540 4.721 30 10 IJEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)NCCCCCC)C1 1595381766 UOKPHAVKDIQVKS-FQEVSTJZSA-N 448.615 4.536 30 10 IJEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(F)(F)F)sc1C 1611840187 CHSHPXBSXVWNDI-UHFFFAOYSA-N 434.491 4.521 30 10 IJEE C=CCCC(C)(C)NC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCC)c(Cl)cc1Cl 1618638373 UVNQUOPKOMGOJU-ZDUSSCGKSA-N 435.417 4.935 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCCS1 1619456310 ATNMTXJRUXLJRU-IAGOWNOFSA-N 431.631 4.603 30 10 IJEE C=CCOc1c(Br)cc(CNc2cc(F)c(OC)cc2OC)cc1OC 1620840980 GRIYPIASUYSFAV-UHFFFAOYSA-N 426.282 4.791 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 1626700667 NXPPUCHKQHHUJR-OAHLLOKOSA-N 425.316 4.500 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)cc21 1627746510 JQYSEFYNZRZHCR-MAUKXSAKSA-N 429.293 4.802 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 1628141594 CPMBOXFALKHGNO-HNNXBMFYSA-N 432.870 4.847 30 10 IJEE CC(C)(CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1 1629899871 AKRMKXRHEJYZBI-UHFFFAOYSA-N 426.948 4.574 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccccc1Br 1631547346 DKCMKQCENQPZTO-CRAIPNDOSA-N 439.394 4.746 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)c1ccccc1 1633305621 DQMOQMQSSVLNEM-HXUWFJFHSA-N 446.551 4.612 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)CCCC1 1636902036 OXDDKRAIOPWTIX-QFIPXVFZSA-N 435.406 4.969 30 10 IJEE C=CC1(CC(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1637866985 BAHSHRQTOJKASS-UHFFFAOYSA-N 449.523 4.924 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)C1 1640071235 ZRPVTWHHBOJQGL-HXUWFJFHSA-N 448.592 4.753 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 1640868693 RRZNWZIAARCSQR-MSOLQXFVSA-N 432.952 4.652 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(CN4CCCCCC4)CC3)c2C#N)C1 1653145375 DOGTUTIGWBCJKP-IBGZPJMESA-N 442.673 4.661 30 10 IJEE C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(Br)cc2Br)C1 1654177634 GMAKKDJNDPCKFD-OLZOCXBDSA-N 430.184 4.827 30 10 IJEE C=CC[C@H](Sc1nnc(-c2cccc(OC)c2)n1-c1ccc(Cl)cc1)C(=O)OC 1656010096 DNZXTAOURXIXHY-SFHVURJKSA-N 429.929 4.806 30 10 IJEE C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CN1Cc1ccccc1 1661200747 DNHWZWMHKVRZLT-AEFFLSMTSA-N 446.473 4.879 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(OCCC(C)C)cc1)c1ccc(Br)cc1 1663547685 BNIHNCVMHFHROP-FQEVSTJZSA-N 436.371 4.527 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC3CCN(C(=O)[C@@H](CC)c4ccccc4)CC3)cc21 1664929396 MIEJJWZHRTVVBY-QHCPKHFHSA-N 445.567 4.529 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1 1668636981 GSGRXIBHCWDUTQ-HXUWFJFHSA-N 434.540 4.603 30 10 IJEE C=CC[C@@H](NC(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccncc1 1669191465 HDNKPUSJRLKXIT-HYBUGGRVSA-N 428.577 4.664 30 10 IJEE CCC(CC)(CNC(=O)Nc1ccc(Br)c(C#N)n1)N[C@H](C)c1ccccc1 1672168791 IACWKQRGZOXAOI-OAHLLOKOSA-N 444.377 4.747 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)CC1 1675271822 OPEJUTWCAJQSOM-YDHSSHFGSA-N 445.563 4.808 30 10 IJEE CCN(CC)[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)(F)F)cc1 1677794952 AIKFFOVNGRZMNE-VXKWHMMOSA-N 444.501 4.947 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1 1679563132 MTFHUDGVCYQVCT-SFHVURJKSA-N 445.995 4.953 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)n1 1679955085 GJDMKJIBFAKUKX-KRWDZBQOSA-N 446.395 4.760 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1cn(-c2ccccc2)nn1)c1ccc(C(F)(F)F)cc1 1679988530 CFJBMVOGTKZIEN-HXUWFJFHSA-N 429.446 4.793 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1681783396 JWPGIYJPPQJHKG-AUSIDOKSSA-N 435.515 4.767 30 10 IJEE C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)c1ccc(Cl)cc1 1682351883 CLCISSMKNYJTCA-JAXLGGSGSA-N 444.909 4.603 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1(CO)CCCC1)c1ccc(Br)cc1 1682357314 WZKZNCMCSCPKIZ-RTWAWAEBSA-N 441.369 4.717 30 10 IJEE C=CCc1cc(CNC(=O)N2CC[C@@H](c3cccc(OC)c3)C2(C)C)cc(OC)c1OC 1683366801 CSOSUIXNFDOYCE-QFIPXVFZSA-N 438.568 4.919 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1685676285 YAAKFELNHSTQPN-FQEVSTJZSA-N 440.588 4.683 30 10 IJEE C=C[C@H]1CCCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 1687010689 ARLGUWSGPBPHOS-PWRODBHTSA-N 431.552 4.669 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1cccnc1OC 1689831588 NLCZFHSHOYTQPW-AWEZNQCLSA-N 437.956 4.723 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1689876504 BKFCDCYLHHLSML-GHTZIAJQSA-N 428.552 4.612 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CCOC)CC(C)C 1689917738 FJUJIBGUHIPHTM-UHFFFAOYSA-N 433.394 4.538 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCC1(COC)CCCC1 1690039378 CXCOOQNJCZOYBB-UHFFFAOYSA-N 441.579 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCC1(F)F 1690212489 NDMAXPMXCOHFDP-WMZHIEFXSA-N 439.510 4.546 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1690258334 CLYQQZBCPNRCGN-NBGIEHNGSA-N 425.621 4.867 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)N(CC)CC)CC1 1690367131 CJFGZMJMOCZPIX-QGZVFWFLSA-N 432.410 4.594 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCOC(C)C)CC1 1690368568 CQFFADNNCNEUSA-UHFFFAOYSA-N 449.393 4.688 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 1690496654 URIZSPYJHZRRMP-OALUTQOASA-N 447.624 4.568 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 1692369375 CINRLEBFIUXHNB-RTWAWAEBSA-N 434.632 4.810 30 10 IJEE CO[C@@H](C)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1cccc(C#N)c1 1697110271 GYJOXGFHRHLTSE-IRXDYDNUSA-N 435.597 4.674 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1705530149 JWLWEUSKHNFUGR-YADHBBJMSA-N 434.613 4.655 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(c2ccsc2)CC1 1705687748 JBSBFAPKZWHREX-INIZCTEOSA-N 437.407 4.526 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC2(CCCC2)C1 1705745301 GFXXGYJYIYLUEB-IBGZPJMESA-N 430.980 4.937 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705814165 FOSXWZFDRQCORH-HXUWFJFHSA-N 437.632 4.902 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@H](OC)c1ccc(F)cc1 1705867199 JODVVGJKPNCRRY-RTWAWAEBSA-N 442.560 4.911 30 10 IJEE Cc1cccc(O[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)c1 1707309709 BKKOUANOJCZTDU-CJFMBICVSA-N 430.556 4.555 30 10 IJEE CC[C@@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1708590788 FHBCRVYYKVGEML-MRXNPFEDSA-N 437.617 4.886 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1nc2c(s1)CCCC2 1722276126 GYMWBQCOZCKLGF-QUCCMNQESA-N 433.625 4.856 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722310478 KMDCGUSQSJKEJO-WIOPSUGQSA-N 433.644 4.934 30 10 IJEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1csc(CC)n1 1722336783 PBCHZMSVDSZEAD-UHFFFAOYSA-N 432.553 4.669 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cc(Br)cs1 1722361551 FXARGYUVIHMENM-UHFFFAOYSA-N 447.427 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOCC1CC1 1722376423 ODQRIUDALFVROR-UHFFFAOYSA-N 438.984 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCCC(F)(F)F 1722394657 ADCFXAUEKXAXFP-UHFFFAOYSA-N 439.279 4.513 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 1722477756 LGBPEZGBHGQOBX-BSIFCXSSSA-N 444.421 4.759 30 10 IJEE C=C(Br)Cn1c(N2CCC(CC#N)CC2)nnc1C1(c2ccccc2)CCC1 1722488325 DMMKGSIHIREHHN-UHFFFAOYSA-N 440.389 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Cl)n1CC1(C(=O)N(C)C)CCCC1 1722512982 OXFIZGJHAHYXBB-UHFFFAOYSA-N 429.996 4.650 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1722590207 BMTMTNZXZXRBAM-FQEVSTJZSA-N 427.549 4.709 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1)c1ccccc1 1722595697 YKZGIUXDNNJHMU-PZJWPPBQSA-N 435.538 4.657 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1722642190 TZEWIMQUKXNNHM-NHCUHLMSSA-N 434.632 4.731 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H](C(C)C)N1CCCC1 1722658176 ASHZMUHZMNFOQB-DEOSSOPVSA-N 448.590 4.792 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnn(CC)c1 1722659719 ZSBYRSZTEUALCI-DHIUTWEWSA-N 448.615 4.654 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)CN(C)C 1723770480 AAAWMRSIGTWMRL-QGZVFWFLSA-N 428.650 4.602 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@](F)(C#N)C1 1740565965 AKGUFARGDQIGKM-MBSDFSHPSA-N 443.954 4.934 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1740568743 OINSCBIZEYIPHK-QFBILLFUSA-N 431.378 4.515 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740648247 HRPIGOOJRNBQMH-NLFFAJNJSA-N 438.019 4.572 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740732642 LPCKODCNVPCTFC-LQBOVUBWSA-N 431.506 4.625 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740733474 FKFUZIOGGWXGQK-WHCXKFMVSA-N 449.643 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cccc(C)c2)n1Cc1ccc2c(n1)CCCC2 1740776202 NEBITUJFTDPDAP-UHFFFAOYSA-N 431.584 4.890 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC(C)C)C(C)C 1740798986 DUAMFBFNKZVNKQ-FQEVSTJZSA-N 449.640 4.814 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCN2CCCCC2=O)CC1 1740833238 OEOJNBZVKNXXLM-QHCPKHFHSA-N 435.616 4.625 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740852053 ILVYETXOCCKLER-FUPPJEDESA-N 438.616 4.883 30 10 IJEE C=CCCCn1c(N(C)Cc2cccs2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740881496 IUPWKJUMAIQXCD-CALCHBBNSA-N 431.606 4.713 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCn2ccnc21 1740894964 NWFNBLLEAYSSTC-OAQYLSRUSA-N 434.588 4.766 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1740915899 WXHFABJWFJXFCG-VWLOTQADSA-N 438.572 4.720 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N(C)CCC(C)C 1740953145 WYKLUWKASCGCCG-UHFFFAOYSA-N 431.993 4.598 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1741005777 QYYMLHKXLYMRCW-JOCHJYFZSA-N 442.629 4.517 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1Cc1occc1C 1746235939 FRRRVCUXOSFGNV-UHFFFAOYSA-N 433.537 4.767 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CCCC1 1749024719 ZIWWKMQHWIGNKN-UHFFFAOYSA-N 439.448 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1Cl 1749134517 ZVZSYJCIEUMRGU-NFBKMPQASA-N 437.975 4.535 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)CC)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1749143906 OIDZGLPFSFTXQN-MOPGFXCFSA-N 431.625 4.984 30 10 IJEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCCC)CC1)c1ccccc1 1749246064 FTWNPTULZPUTPG-DEOSSOPVSA-N 448.615 4.639 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H]1CCOC1 1749253136 XPVZTOXONXYBGT-RDJZCZTQSA-N 425.360 4.666 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCCN1CC 1749464913 HZAUCHDUZUXVCO-UYAOXDASSA-N 432.012 4.795 30 10 IJEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(F)(F)F)cc1C 1749496828 WIZBSPVQGOJIJR-UHFFFAOYSA-N 440.473 4.514 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@H](OC(C)(C)C)C3)nnc2C(C)(C)C)cc1 1749685813 LFUGPBHEHZHDSY-NRFANRHFSA-N 426.605 4.973 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1C[C@H](c1cccs1)N1CCCC1 1751090465 DVBFESPJKILXED-YLJYHZDGSA-N 438.576 4.721 30 10 IJEE Cc1cc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@](C)(O)C(C)C)c2ccccc2n1 1751408098 ANVJWFIJXFBPDW-SANMLTNESA-N 448.615 4.975 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 1751995172 GNJQDEJIHOZKSJ-UEXGIBASSA-N 434.613 4.663 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760131142 OUWNXAWGMIVBPZ-SXLOBPIMSA-N 434.506 4.780 30 10 IJEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1760139816 PQJXTVOPXGAPFX-XMMPIXPASA-N 425.665 4.907 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)C[C@H]1CC 1760278523 XKZAJOBQDPCOEQ-JKSUJKDBSA-N 433.419 4.699 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760343200 FWGWPMXJTWRSPU-LJQANCHMSA-N 434.588 4.969 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1760358271 QAPRKQBYPDNBHS-JOCHJYFZSA-N 426.605 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](CC)N2CCCC2)CC1 1760398594 DTURPYSPMBODRL-HXUWFJFHSA-N 444.023 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1760406727 KLGAAZYGBNIEFJ-UHFFFAOYSA-N 435.576 4.833 30 10 IJEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1ccccc1 1760420663 TWBQTJIWAOCLHQ-VXKWHMMOSA-N 426.605 4.958 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760427237 UBYHVRITEONDTB-QHCPKHFHSA-N 436.648 4.713 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)[C@@H]1CCOC1 1760433633 JJSYMLQSJLEVBO-CQSZACIVSA-N 425.758 4.552 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1Cc1sccc1Br 1760477836 MJCKXPGQSJGLSD-UHFFFAOYSA-N 433.375 4.660 30 10 IJEE CCc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)s1 1764510166 HLZXSKAKICQNCC-JOCHJYFZSA-N 449.624 4.988 30 10 IJEE CCO[C@@H](CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C#N)CC1)C1CCCC1 1767352236 BUCRUIDSYCMZHX-QHCPKHFHSA-N 437.588 4.679 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCN1CC 1772522793 SJPRVCGFPKPGML-FDDCHVKYSA-N 429.971 4.604 30 10 IJEE CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1nccs1 1772738852 WRIDJXKMIFEVLS-SKCGTWTRSA-N 426.479 4.935 30 10 IJEE COCCCN(C(=O)Cc1ccc(Cl)cc1)[C@H](C#N)c1cccc(Br)c1 1857958508 QWCCDAFCPPCHLD-LJQANCHMSA-N 435.749 4.775 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1862216472 NWOLIBFSGANAQS-SQJMNOBHSA-N 434.580 4.505 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc3cc[nH]c3c2)c1 1862491537 VXYZIMXTWMLLND-CVDCTZTESA-N 430.504 4.542 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(=O)OC)cc1 1862494734 OZKJAYASKMSEHE-JOCHJYFZSA-N 435.520 4.859 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1cccc(Br)c1 1862509942 SNCMQBYREDURMN-GOSISDBHSA-N 432.289 4.885 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2F)cc1 1862534396 RIUCVJNCVPKLTD-JOCHJYFZSA-N 434.442 4.701 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(F)cc1F 1862560645 KDWVVHBQLOGABK-WHIIXXIBSA-N 426.463 4.704 30 10 IJEE CCCCC[C@@H](CC)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c(O)c1 1862591517 IJMFBLTVIDTPAP-VGSWGCGISA-N 439.508 4.741 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862670945 FZUFCLLOTPWKLM-LJQANCHMSA-N 429.900 4.776 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2Cl)cc1 1862688762 AESHBQFOOGLDIG-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2CCO)cc1 1862719818 PFXMEMUPLUUCGJ-QHCPKHFHSA-N 429.516 4.708 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2[C@H](C)CC)c1 1862756419 OJYWYEZIATYZOU-VFNWGFHPSA-N 438.480 4.760 30 10 IJEE CC(C)Oc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862934023 IOXHMDJSPFIHBA-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3c[nH]c4ccccc34)C2=O)c1 1863128914 OGNNOPDZWMURQI-UHFFFAOYSA-N 446.466 4.639 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1863299330 KWFMDUVOEFHMLY-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE C=CCNC1=C(c2ccc(OCCC)cc2)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 1863675747 XZOAAKIXQIGMHF-UHFFFAOYSA-N 444.453 4.550 30 10 IJEE CCCCCCCOc1cn(CCCOC)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870830672 VVJKRWPEILXZPW-UHFFFAOYSA-N 426.561 4.722 30 10 IJEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc(Cc2ccccc2)cc1 1870876638 MRIGVBGQXWNEMK-UHFFFAOYSA-N 446.547 4.569 30 10 IJEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CN(CCc2cnc[nH]2)CO1 1871347145 BMUBPNZCNRYZRT-ZBKNUEDVSA-N 442.302 4.727 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccc(C)cc4)cc(C)c3C2=O)cc1 1871369910 KWYSWHNTBWOLMG-QRVIBDJDSA-N 430.456 4.913 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)c(OC)c1 1871387060 WZJFHRYIMBBNCJ-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 1871416116 MOFQNVSIKZLOPH-QRVIBDJDSA-N 430.456 4.985 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871427597 LNSVSBLEEBNAJZ-XYLCRUHJSA-N 438.520 4.947 30 10 IJEE CCN(CC)CCOc1ccc2c(c1C)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871451565 BKPUBYWNGQCGCK-MTJSOVHGSA-N 443.927 4.852 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CCC 1872200437 SJYVZIWAPHVSQG-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccccc1 1872550715 BARDYJKZRBDSMH-QHCPKHFHSA-N 428.598 4.924 30 10 IJEE CCCCCCCCNC(=O)Cc1nonc1OCC(=O)Nc1ccc([C@H](C)CC)cc1 1872646198 YWEKRIIWPPEQDO-GOSISDBHSA-N 444.576 4.620 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccco2)=C(c2cc(F)c(F)cc2F)C1=O 1873059683 YCKUWZNQKMRIDF-UHFFFAOYSA-N 434.458 4.927 30 10 IJEE N#Cc1ccc(NC(=O)C[C@@H](CN2Cc3ccccc3C2=O)c2ccc(Cl)cc2)cc1 1873867844 ZSKLLYGQRNSBIC-FQEVSTJZSA-N 429.907 4.980 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2/N=C/c2ccco2)c(C)c1 1874420020 QPFXIZKWMUPANC-MFKUBSTISA-N 445.548 4.692 30 10 IJEE C[C@H](NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1cccs1)c1ccccc1 1874440961 BORSSEUQXLBNGL-YQCVNYCESA-N 441.626 4.780 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C(F)(F)F)c1 1874459478 PJLYIZXAIGUSHB-BHGWPJFGSA-N 433.459 4.527 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccccc2F)c1 1874465674 VGNPDHSFFLIYEF-ZMOGYAJESA-N 435.484 4.599 30 10 IJEE Cc1ccc(O)c(/C=N/n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2C(C)(C)C)c1 1874482837 QEDIWVQTHNSIHI-WSDLNYQXSA-N 425.514 4.672 30 10 IJEE O=C(COc1cccc(/C=C/C(=O)c2cccc(Br)c2)c1)NCc1ccco1 1874595043 QSEBTYWTUOBQFC-MDZDMXLPSA-N 440.293 4.633 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1cccs1 1875151364 IABKYUZRWNMGGM-VMPITWQZSA-N 436.485 4.920 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)Cc1ccc(F)c(C)c1 1875151611 UBOGINUGBJOCCQ-XBXARRHUSA-N 448.446 4.916 30 10 IJEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCCC2)cc1 1891028571 HGIAFKCNFJNRCX-UHFFFAOYSA-N 430.470 4.898 30 10 IJEE CN(C)CC#C[C@H]1CCCN1C(=O)c1cc2ccccc2c2cc(Br)ccc12 1891573968 ACNVKJQIBDTTSZ-IBGZPJMESA-N 435.365 4.925 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@]1(O)[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 1924834313 BOQKBHOQGGFANQ-LVXARBLLSA-N 443.584 4.555 30 10 IJEE C[C@H](S)[C@@H](C)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1946433517 XXAMXZPEYFPDEK-RITPCOANSA-N 446.002 4.867 30 10 IJEE C=CCN(CCC(=O)N(C)Cc1scc(C)c1Br)C(=O)OC(C)(C)C 2060644290 ZTKCMSIQJBNMAX-UHFFFAOYSA-N 431.396 4.591 30 10 IJEE CCc1ccc([C@@H](C2CCC2)n2nc(CC)c(/C=N/O)c2I)cc1 2079042011 CCYQMNBTACZQIW-AGKWGAAGSA-N 437.325 4.810 30 10 IJEE Cc1ccc([C@@H](C)n2nc(C3CCC3)c(/C=N/O)c2I)c(F)c1 2079087449 LPEWUGGLINXSAD-GXBAXFRPSA-N 427.261 4.620 30 10 IJEE CCc1nn([C@H](c2ccc(C)cc2)C(C)(C)C)c(I)c1/C=N/O 2079131798 ZJBXDGTZEOFLKG-MBTVCVBTSA-N 425.314 4.802 30 10 IJEE CC[C@H](c1ccc(OC)cc1)n1nc(C2CCC2)c(C=NO)c1I 2079854612 KRKNGWGAXCIWNN-MRXNPFEDSA-N 439.297 4.571 30 10 IJEE CC[C@@H](c1ccc(OC)cc1)n1nc(C(C)(C)C)c(C=NO)c1I 2079880244 NDPJOIAUXSISAW-HNNXBMFYSA-N 441.313 4.601 30 10 IJEE O=c1cc(-c2cccc(C(F)(F)F)c2F)[nH]c2c(Br)c(C(F)(F)F)nn12 2080935101 GTZNSVPYJWBHAC-UHFFFAOYSA-N 444.104 4.629 30 10 IJEE O=C(O)c1cnc2c(-c3cccc(C(F)(F)F)c3F)c(C(F)(F)F)nn2c1Cl 2081147483 RDDNYDLPIKZNPL-UHFFFAOYSA-N 427.663 4.925 30 10 IJEE CC(C)(C)c1nn2c(Cl)cc(-c3cccc(I)c3)nc2c1C#N 2081398141 AUXCCXCSSJDHSD-UHFFFAOYSA-N 436.684 4.823 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCc2cccc(Cl)c2Br)C1 2126626482 VPRYJXDEYUSJTL-UHFFFAOYSA-N 443.769 4.580 30 10 IJEE CC(C)(C)OC(=O)NC1(c2cccc(Nc3cc(Br)cnc3C#N)c2)CC1 2169061045 YRYFYBVRJHYHND-UHFFFAOYSA-N 429.318 4.973 30 10 IJEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)Cc1ccc(Br)cc1C#N 2174590558 FPCKDXRMVALJLD-HNAYVOBHSA-N 436.394 4.788 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(c3ccc(C#N)c(Br)c3F)C[C@]2(C)C1 2174810252 KGGXREUAXDRIJW-WOJBJXKFSA-N 438.341 4.543 30 10 IJEE C[C@@H]1SC(=NCc2cc(Br)ccc2Br)N[C@H]1C(F)(F)F 2195328469 YBYQFLLGDKXSLA-QUBYGPBYSA-N 432.103 4.723 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3cc(Br)c(C#N)cc3F)C[C@H]2C1 2206331046 VZHKIKLUSDEYGN-BPLDGKMQSA-N 438.341 4.589 30 10 IJEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)C[C@@H]1CCCCN1Cc1ccccc1 2220059773 UVUMMJODWLQWJI-QFIPXVFZSA-N 440.462 4.534 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1C(=O)C#Cc1ccccc1Br 2235717896 KKWRUVNJTIRPJR-SFHVURJKSA-N 432.358 4.940 30 10 IJEE CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)C#Cc3ccccc3Br)C2)C1 2235735593 ZFIYBHRWAXVGIN-UHFFFAOYSA-N 432.358 4.797 30 10 IJEE Cc1cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc(C)c1C#N 2254634135 MRVDYJQCWHENQO-XMSQKQJNSA-N 437.540 4.612 30 10 IJEE CN(Cc1ccccc1)C1(CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CCCCC1 2265847540 NCGNYUVPIVCEEV-UHFFFAOYSA-N 435.421 4.628 30 10 IJEE CC1(C)OB(C2(C(=O)N3CCC[C@]4(CCN(Cc5ccccc5)C4)C3)CCC2)OC1(C)C 2267460556 KBUHTMHADYMWEU-RUZDIDTESA-N 438.421 4.518 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C#N)cc2Br)[C@@H](C(F)(F)F)C1 2281039304 BAKLUIYJMFBFAT-IUODEOHRSA-N 448.283 4.745 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C 2296224086 GWDRJARUZFQYQM-RBUKOAKNSA-N 437.422 4.964 30 10 IJEE CCN=c1ccc(Br)cc(C(=O)C=Cc2ccccc2Br)c1O 2297464292 SFNVXOXKZCHRAG-UHFFFAOYSA-N 437.131 4.734 30 10 IJEE C=CC[C@H](Oc1cc(NC(=O)OC(C)(C)C)ccc1N)[C@@H]1CCN1C(=O)OC(C)(C)C 2299393491 NKTZPEZYGYRSSX-ROUUACIJSA-N 433.549 4.949 30 10 IJEE CCCN[C@H](C#Cc1cccs1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2300751064 UAYJHRHDJLKCGU-YADHBBJMSA-N 442.625 4.968 30 10 IJEE C=CCN1C(=O)C(=C(C)c2ccc(Br)cc2)SC1=Nc1nnc(C)s1 2314547731 KZCTTWWLIRDNLO-UHFFFAOYSA-N 435.372 4.789 30 10 IJEE CCCN[C@H](C#Cc1ccnn1C1CC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2319379740 ZGDLKEXRFRJLBQ-JOCHJYFZSA-N 436.600 4.765 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2N=Cc2ccc(C(F)(F)F)cc2)c1 2321073294 XRTBCMOEVOBHHM-UHFFFAOYSA-N 447.486 4.835 30 10 IJEE CCOc1ccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)cc1 2323034354 VQBXWEMELTYKSN-UHFFFAOYSA-N 427.667 4.977 30 10 IJEE Cc1cc(OC(=O)C(Cl)(Cl)Cl)cc2c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O2 2323035102 GRBMAMPGTPXTNV-UHFFFAOYSA-N 442.638 4.795 30 10 IJEE CCCOc1ccc(C=CC(=O)C(=O)Nc2ccc(C)cc2Br)cc1OC 2325649401 BTMXUOXTBAQUSY-UHFFFAOYSA-N 432.314 4.776 30 10 IJEE COc1cccc(C=Nn2c(COc3ccc(C)cc3C(C)(C)C)nnc2SC)c1O 2325901853 ILWRYHFSEBLMDJ-UHFFFAOYSA-N 440.569 4.781 30 10 IJEE C=CCSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2328075357 RISZLJILMKGULV-UHFFFAOYSA-N 427.917 4.785 30 10 IJEE CCCOc1ccccc1C=Nn1c(COc2ccccc2OC)nnc1SCC 2328261545 SJMYDDHBXXHYDG-UHFFFAOYSA-N 426.542 4.649 30 10 IJEE CCOc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccncc2)cc1 2328568057 KQAMLDUUQKKLRZ-UHFFFAOYSA-N 443.576 4.880 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccco1 2330066327 ISDJZIXSEUGNBI-MRXNPFEDSA-N 449.511 4.775 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2N=Cc2cccs2)c1 2330465521 SMNSNGXZYCWWMW-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE CC(=O)NCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(C)cc1 2330794331 XNEAPJBJHMJKAD-UHFFFAOYSA-N 448.379 4.704 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2[C@H]2CCCO2)ccc1O 2330994414 WZJCTZJTTHWBTG-GOSISDBHSA-N 444.944 4.672 30 10 IJEE CCCOC(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(C(C)(C)C)cc1 2331231936 USKHREUGVXVUHL-UHFFFAOYSA-N 426.542 4.763 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cc(C)ccc2OC)cc1[N+](=O)[O-] 2331364674 VOSCUAMGTIQADI-UHFFFAOYSA-N 427.453 4.912 30 10 IJEE COc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 2331512676 IOYNLZRLWSMVCR-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CC2)c1 2331723855 FQBGXDRMFKSINM-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339541068 GFHMRRVITSUITJ-QBNMFFNISA-N 447.360 4.534 30 10 IJEE CC(C)(C)OC(=O)N(CCCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339599371 DKEJNAZVMOOSGL-UHFFFAOYSA-N 444.381 4.895 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(c3cc(Br)ccc3C#N)C1)C2 2358646204 PRZXYFPYYBHSBT-BTYIYWSLSA-N 434.378 4.937 30 10 IJEE CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 21220852 OMIQNTOFRRIBLQ-WBVHZDCISA-N 440.883 4.651 30 10 IJEE CC[C@H](/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@H]1OC(=O)c2ccccc21 48548041 OKDODCRMNCLQOW-IYMRQABKSA-N 448.544 4.616 30 10 IJEE CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC[C@@H](O)CO 95866542 DUUKZBGYNMHUHO-XZOQPEGZSA-N 432.642 4.522 30 10 IJEE COc1ccc(CCN2C(=O)CS/C2=N/c2ccc(Cl)cc2Cl)cc1OC 100308551 FBXSZDHOSIHHRT-ZBJSNUHESA-N 425.337 4.816 30 10 IJEE CCCCN(CCCC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccnc1 136328103 YQBOPFVOUIGSJY-NXLSWJSLSA-N 449.595 4.796 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(OC)cc2)c1 169921196 VLQUDRXCPPVYLJ-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2ccccc2C)cc1 169926338 SVCGHTCZFOFLNV-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 169982183 FNBFAKFPMBUYEN-HXUWFJFHSA-N 449.488 4.505 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1 170015972 MFBCJMZPESKUJX-HSZRJFAPSA-N 440.455 4.615 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1C 170059527 YRJAPICQYQNGMQ-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(N(CC)CC)cc1 170138933 PGKGYOJFBVKUKO-JOCHJYFZSA-N 440.515 4.669 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(C)c2)c(OC)c1 170141630 UIWVLQMWRPSHDG-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2OC)[C@H]1c1cccs1 170160044 IQFVEGVAEQJGHE-NRFANRHFSA-N 435.501 4.857 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170214765 JKEOJEVPPOLYIB-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1ccccc1 170228797 POPQSFMBOTWHON-XMMPIXPASA-N 440.499 4.607 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2F)c1 170248409 FJIASDFUUUIQBT-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2sccc2C)cc1OC 170405365 FAWTXPPHVOTCLM-GOSISDBHSA-N 441.530 4.918 30 10 IJEE CCOC(=O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(C)c2)cc1 170458949 DEOCUNAJURTPQP-JOCHJYFZSA-N 445.471 4.543 30 10 IJEE COc1cc2sc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccn3)nc2cc1C 170479246 QKAVCQUXSAYAHY-FQEVSTJZSA-N 437.521 4.524 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 202901791 CSSRUEFXNLXXIP-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(C)=O)c2)SC1=Nc1ccc(C)c(C)c1 252623362 OPHBSCZBWVXKMO-NRFANRHFSA-N 435.549 4.652 30 10 IJEE C#CCN(C[C@@H](NCC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 407566204 HJBONJBROASBOC-CQSZACIVSA-N 433.749 4.763 30 10 IJEE N#CC1CCC(CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CC1 441133742 HPPLLLOCBOHOJF-UHFFFAOYSA-N 436.943 4.715 30 10 IJEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCc3cc4ccccc4nc3O)c2)c1 503540307 OEHYIRKHPLPGQA-UHFFFAOYSA-N 436.471 4.636 30 10 IJEE Cc1sc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)nc1-c1ccc(Cl)cc1 505940561 FWJWLOCUAVJRDS-NRFANRHFSA-N 433.961 4.650 30 10 IJEE Cc1cc(C)c(C#N)c(SC2=C(N3CCCCC3)C(=O)N(c3cccc(C)c3C)C2=O)n1 526694059 CQKGTCSPWBJZIU-UHFFFAOYSA-N 446.576 4.550 30 10 IJEE C[C@@H]1CCC[C@@](C#N)(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)C1 532496854 WUZHPWRBWTWZIV-OPAMFIHVSA-N 427.574 4.724 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)c3cccc(OC)c3)CC2)c1 585821755 PICHTMAXMNSEBK-UHFFFAOYSA-N 435.568 4.567 30 10 IJEE COc1ccc([C@@H](Cc2ccccc2C)NC(=O)NCc2ccc(C#N)cc2F)cc1OC 609253259 WHAURFZUNVOMDW-HSZRJFAPSA-N 447.510 4.806 30 10 IJEE Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@]3(C)CCCN3C(=O)c3ccccc3)n2)cc1 735205702 GDVOTXNZROTAPL-CPJSRVTESA-N 429.545 4.990 30 10 IJEE COc1ccc2[nH]cc(CCNC(=O)NCc3cccc(-c4ccc(C#N)s4)c3)c2c1 740058853 DLQZSWWPEKMVOQ-UHFFFAOYSA-N 430.533 4.819 30 10 IJEE C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1ccc(CCC)cc1 759063321 OMIITAXDTOWVLY-UHFFFAOYSA-O 425.577 4.932 30 10 IJEE CCS[C@H](C)c1noc(CN(C)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 765797720 GCISYUXLGILVJG-CQSZACIVSA-N 441.582 4.825 30 10 IJEE C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@H](C(=O)OC)c3ccccc32)c1=S 766363714 HAIYITOWAWWDPY-QGZVFWFLSA-N 438.528 4.531 30 10 IJEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@@H](C(=O)OC)c3ccccc32)c1=S 766365203 PNOHTHKFMMNJIZ-LJQANCHMSA-N 438.528 4.531 30 10 IJEE C#CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1 799219048 KPRGBTIZAVPNSA-SFHVURJKSA-N 445.466 4.607 30 10 IJEE C=C(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 802560392 RUEASFJMFNPJEN-IBGZPJMESA-N 448.571 4.563 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(CC)(CC)CC1 802581657 AABZIINXDXIDAM-UHFFFAOYSA-N 425.577 4.687 30 10 IJEE CCOC(CCn1c(-c2cnccn2)csc1=Nc1ccc(C#N)c(Cl)c1)OCC 803193718 GNJOJWMAOGSLBA-UHFFFAOYSA-N 443.960 4.553 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 809920873 FUAQBVGBGZYNBP-WZONZLPQSA-N 449.530 4.617 30 10 IJEE CC(=NNc1nc(O)c2ccccc2n1)c1ccc(Br)cc1Br 814868897 MIUXQMNWWWXWAR-UHFFFAOYSA-N 436.107 4.697 30 10 IJEE CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)SC1=Nc1cccc(C(F)(F)F)c1 1084085778 GUMCALFQKSORJJ-OAHLLOKOSA-N 441.862 4.949 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(C(=O)OC)c(F)cc2F)s1 1124713238 BSTQIQHIWAFBIA-UHFFFAOYSA-N 432.901 4.542 30 10 IJEE Cc1c(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)ccc(Br)c1F 1131024801 RIKQOPZPBUQKDF-OAHLLOKOSA-N 442.329 4.812 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 1204990202 WTMPOMOVHHTCEJ-UHFFFAOYSA-N 438.431 4.959 30 10 IJEE CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 1206039472 CPJWPUNISUCYHB-IBGZPJMESA-N 435.959 4.743 30 10 IJEE CCN(C[C@H]1CCN(C(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)C1)CC(F)(F)F 1220258693 GJYSPWYMTGIVAL-CXAGYDPISA-N 443.407 4.519 30 10 IJEE C#CC[C@H](NC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1230566016 NTPPTFBICFWGBO-SQJMNOBHSA-N 425.573 4.574 30 10 IJEE C=CCCC1(CNC(=O)NCCc2ccc(I)cc2)CCCC1 1252985034 WQJZPAQRLOYDNM-UHFFFAOYSA-N 426.342 4.660 30 10 IJEE C#CCSc1ccc(COC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1 1269308654 QPTJNILBWXRERI-UHFFFAOYSA-N 442.602 4.859 30 10 IJEE C#CC[C@@]1(C(=O)NCCCc2c(Cl)cccc2Cl)CCCN1C(=O)OC(C)(C)C 1277625365 WTUABQZAJBWGAM-QFIPXVFZSA-N 439.383 4.835 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCC1(COC)CCC1 1286273810 JNEPQVFYNMFWTN-HNNXBMFYSA-N 449.368 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCCc1cccc(C)n1 1286279797 XPWZWZALYFDAMC-RTBURBONSA-N 437.975 4.866 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(C)C)C1 1286317332 LBXJPJDFAGXUOG-IBGZPJMESA-N 449.368 4.511 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CCCC2)C1 1286359827 KQYKRSNCHZTFSY-IBGZPJMESA-N 427.593 4.534 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC[C@@H](OC)C(F)(F)F 1286457586 ASMSXCKWVAELFH-GOSISDBHSA-N 440.485 4.613 30 10 IJEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@H]2CCC[C@@H]2C)CC1 1286474275 GNKIVLORSIVDAX-UPVQGACJSA-N 449.643 4.561 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC[C@@H]2CCCCO2)CC1 1286643144 BOMGGXKZLNVLII-NRFANRHFSA-N 440.588 4.858 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1286663011 DLYCOFDOHDWZND-SFHVURJKSA-N 436.478 4.521 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286695638 DYVCOKDQNMWIIV-UHFFFAOYSA-N 445.970 4.685 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCO1 1286748541 YWKAUYRRFYEYRH-GOSISDBHSA-N 446.523 4.980 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1Cc1cccc(NC(=O)OC)c1 1286762379 GSYXIEZLIHJCEH-UHFFFAOYSA-N 437.544 4.630 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N(C)[C@@H]2C[C@H](OCC)C2(C)C)cc1 1286795164 XBIQKDIYYPPERV-PKTZIBPZSA-N 449.599 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CC1CCC(OC)CC1 1300324684 KEQBYZZOOCZRBH-MUYFXNHWSA-N 433.021 4.887 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1N(C)CCCC1(C)C 1300602174 OTEYFZNEMVHFAE-NQIIRXRSSA-N 444.023 4.651 30 10 IJEE C#CCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C 1300776152 FIOVNTIZYWNTQB-HNNXBMFYSA-N 439.075 4.532 30 10 IJEE C#CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](CC)c1ccccc1 1300778373 UDMAMJLPOLASMO-RBUKOAKNSA-N 442.539 4.707 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1300868789 HMWLIUCVHAYUBQ-WQDJSCAQSA-N 433.021 4.910 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1301002222 XFTUYTVXMVFYSD-ZSYZGHEHSA-N 430.637 4.804 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1301055746 RVOAMLVCEHUDKP-VFNWGFHPSA-N 440.922 4.547 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2(N(C)C)CCC2)CC1 1301095192 CNUBJCNHCBSRBP-UHFFFAOYSA-N 437.632 4.795 30 10 IJEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NCCCC)CC1 1301211248 DIFGRRZPTGWTLP-UHFFFAOYSA-N 429.996 4.697 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 1301269498 PSGYYZIPTDSXGL-CALCHBBNSA-N 429.314 4.547 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCOC2)n1Cc1nc(C)c(C)s1 1301351603 WMARIAQRQJCAHZ-IBGZPJMESA-N 441.576 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCCC1(C)C 1301374863 FVRYDOZKMSMUJL-HSZRJFAPSA-N 432.515 4.666 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc([C@H](C)OCC(C)C)no1 1301445326 GHNXOXMZDABQFU-HNNXBMFYSA-N 430.940 4.538 30 10 IJEE C=CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1301449861 FERFAYUPOSAQLK-SFHVURJKSA-N 430.325 4.744 30 10 IJEE CCC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1305899653 GRMYCACHZHDNHM-IBGZPJMESA-N 431.382 4.746 30 10 IJEE CCCN(C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCC)CCC2)C1 1306781560 ANNCLUCVECODLD-JOCHJYFZSA-N 434.632 4.955 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)cc1 1309063460 KMTXSPSYAVZKIQ-SFTDATJTSA-N 426.626 4.762 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 1310862305 HAOMQGPTWFCSNU-UHFFFAOYSA-N 428.330 4.712 30 10 IJEE C#CCN(C(=O)NCCCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCCc2ccccc21 1312482999 FUIIZTOMLPALBT-QFIPXVFZSA-N 432.499 4.531 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc4ccccc4c3)n2Cc2cccs2)C1 1321809764 NYFNQDGMABYRFV-QFIPXVFZSA-N 430.577 4.913 30 10 IJEE C#Cc1cncc(C(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)c1 1349911783 RMBKYOOECGMHBO-UHFFFAOYSA-N 426.354 4.986 30 10 IJEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1O[C@H]1CCOC1 1353479299 ALDXKHMVSUBEPA-DEOSSOPVSA-N 444.506 4.949 30 10 IJEE C=CCc1cc(C(=O)N=c2sccn2Cc2ccccc2Cl)cc(OC)c1OC 1355897799 GEWSSGYWEACEGA-UHFFFAOYSA-N 428.941 4.738 30 10 IJEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 1358414626 JRQVCBOFUDPTLM-BZNIZROVSA-N 447.347 4.645 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1Cc1oc(CCC)nc1C 1359074359 ZZUCXJDEMHVXFJ-AREMUKBSSA-N 447.583 4.709 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCSC(CC)(CC)C1 1359096403 BFDLDMFRTVKMMH-PZJWPPBQSA-N 441.645 4.742 30 10 IJEE C=CC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359181204 JOEQNNRXWFRPRL-QHCPKHFHSA-N 437.632 4.688 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC[C@H]1C 1359196280 BDZHFEVIJJFIPQ-QUCCMNQESA-N 426.561 4.529 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@H]1CCCO[C@H]1C(C)C 1359258963 IEYOCFYQSUUEAV-RSXGOPAZSA-N 445.611 4.908 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(O)CCC1 1359276881 UHVRWSBLAHNZKE-UHFFFAOYSA-N 447.366 4.995 30 10 IJEE C=CCSCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CC#N 1359338166 NSTGKVUPAAZGOF-CYBMUJFWSA-N 438.370 4.504 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1360478278 HLEUJKMQODWFAY-SFGWALBWSA-N 427.568 4.588 30 10 IJEE C=C(C)Cn1c(SCC(=O)N[C@H](c2ncccc2C)C(C)(C)C)nnc1-c1ccco1 1439962959 RIJKBLGSAVYEFA-HXUWFJFHSA-N 439.585 4.813 30 10 IJEE C#CCN1CCC[C@H](NC(=O)c2ccccc2SCc2ccc(Br)cc2)C1 1455701759 FIQAXVVFQFOCJN-IBGZPJMESA-N 443.410 4.569 30 10 IJEE C=CCn1c(S[C@H]2CCCN(c3ccccc3F)C2=O)nc2cc(Cl)ccc2c1=O 1458738458 YRKRCOQYYMHBEG-IBGZPJMESA-N 443.931 4.663 30 10 IJEE C#CCSc1ccc(COC(=O)c2nc(Br)ccc2Br)cc1 1459023274 DSQZYGIAGYEXKP-UHFFFAOYSA-N 441.144 4.689 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc(OC)c1OC 1461283837 LARNQWUHNODHQH-SFTDATJTSA-N 437.536 4.732 30 10 IJEE C=CCOc1ccc(Br)cc1NCc1ccc(OC)c(Cn2cccn2)c1 1461565341 NAAVGYOCLXAQKA-UHFFFAOYSA-N 428.330 4.879 30 10 IJEE C#C[C@H](NC(=O)Nc1ccccc1I)c1ccc(Cl)cc1F 1465201156 MYMHRYLGVIVMOC-AWEZNQCLSA-N 428.632 4.580 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 1467639902 XDAZQXARTLFHFT-YIXXDRMTSA-N 446.639 4.943 30 10 IJEE C#CCN(C(=O)CCSc1ccccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1471882701 SLZUZSAGHNYYJD-UHFFFAOYSA-N 437.005 4.684 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@H]1CCCCN1Cc1ccccc1 1473738376 LPSBYAJGHHPWLS-FYYLOGMGSA-N 425.642 4.638 30 10 IJEE C#CCOc1cc(F)ccc1NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 1474031103 SRMWENNFXFQHGG-KRWDZBQOSA-N 428.504 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1cn2ccc(C)cc2n1 1507516817 MXMVYXTWKXFBCL-ROUUACIJSA-N 448.958 4.534 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1nccs1 1507680664 KJFXNWJGSMOHTC-MRXNPFEDSA-N 425.627 4.995 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507681805 CBURUNFJYHAFLE-WOJBJXKFSA-N 433.600 4.907 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507809316 SSOQLRIROJHANI-FOUBCARRSA-N 430.980 4.584 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1507827987 LHEODOCRQDFQNZ-MRXNPFEDSA-N 427.911 4.757 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1507837535 BBGNOLFIDHGVBC-KRWDZBQOSA-N 441.963 4.792 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1507885844 QRMIHSBDAOEKMK-QHCPKHFHSA-N 425.596 4.675 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC[C@H]2CCCO2)CC1 1507897264 GZBUCOOXNGXWRH-OAQYLSRUSA-N 430.980 4.587 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507926508 TVORZHAIOLKKDT-HXUWFJFHSA-N 442.007 4.697 30 10 IJEE C=CCCOCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccccc1Cl 1507966660 VQMLDGZMMPOUDV-QGZVFWFLSA-N 434.878 4.711 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccnc(OC2CCCC2)c1 1507987256 VWWVUGDLECTBBT-IFMALSPDSA-N 439.604 4.584 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1Cc1c(C)noc1C 1508007645 GLQLUSJJPHBIET-UHFFFAOYSA-N 440.598 4.541 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccccc2F)n1C[C@@]1(C)CCCO1 1508011596 TZHWHGRJTUWTHQ-HSZRJFAPSA-N 442.560 4.819 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@H]1C 1508026401 UREHOKPGXMILFA-NLFFAJNJSA-N 436.625 4.717 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCSC1(C)C 1508032819 IDUYCVJPHUZBJD-OALUTQOASA-N 430.618 4.532 30 10 IJEE CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)OC 1513278944 FAYYLAHZWKYHIV-AVRDEDQJSA-N 439.604 4.662 30 10 IJEE Cc1ccc(-c2cncc(F)c2)cc1NC(=O)COc1cccc(Br)c1C#N 1518634474 BDIKLKBKKQTHJC-UHFFFAOYSA-N 440.272 4.848 30 10 IJEE CC[C@H]1[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C(=O)OC(C)(C)C 1524259584 BKESEGQKHRGSBV-MOPGFXCFSA-N 440.569 4.580 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1)c1ccc(F)cc1 1525026102 SXAKBARJSGVBBW-AWRGLXIESA-N 432.520 4.781 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(C)cc2OCCC(C)C)CCCN1C(=O)OC(C)(C)C 1525176232 UVIWDUVNMZAIKE-SANMLTNESA-N 442.600 4.829 30 10 IJEE Cc1nc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)sc1Cc1ccccc1 1527261765 BNLYCGMHMWHSOS-UHFFFAOYSA-N 434.540 4.908 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)c1ccc(Cl)cc1F 1528531532 LSXZJFYMYKYQOE-GOSISDBHSA-N 429.829 4.536 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1 1529107546 SALZLXAAUTVAHK-UHFFFAOYSA-N 431.298 4.551 30 10 IJEE C=CCOc1ccc(CN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)C(C)(C)C)cc1 1529500360 MEUJWYFZANZBJW-UHFFFAOYSA-N 433.552 4.557 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C#N)c(C#N)c1)c1cccc(C(F)(F)F)c1 1532509983 AJLKKQUADYRUSD-SFHVURJKSA-N 444.413 4.653 30 10 IJEE C=C(CC)CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 1536092001 FGDVLCMXVWCYCW-SQJMNOBHSA-N 436.552 4.579 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[C@H]2C)c1 1538178282 WHDXRQXMGCAQIO-QZTJIDSGSA-N 447.000 4.887 30 10 IJEE C=CCN(C(=O)c1cc(Br)ccc1CC)[C@H](Cc1ccccc1)C(=O)OCC 1538618645 MRTBHTHTBVVKDG-OAQYLSRUSA-N 444.369 4.814 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@H](F)c1ccc(Br)cc1 1538984244 DURDSVKYTOZPPV-GUYCJALGSA-N 431.309 4.778 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)c1nccs1 1539034523 FPEWHCXNBHUDJF-GJZGRUSLSA-N 432.018 4.942 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 1539068380 UHGKFSDLNDWHQM-NRFANRHFSA-N 445.542 4.690 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCO[C@H](C)C1 1539094147 LWSQGEIAVAENBX-RTBURBONSA-N 430.980 4.717 30 10 IJEE C=C(Br)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)C1 1539587211 YSUGKNIQIZEXPS-NSHDSACASA-N 440.183 4.771 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C(C)(C)C1 1539620560 LZMVEVJASFMSMJ-DSKINZAPSA-N 439.560 4.707 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1539710512 RZCIRAFZSSWDGC-MRXNPFEDSA-N 438.373 4.726 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1539788059 XSJNZVFQUPQQJY-QGZVFWFLSA-N 429.977 4.855 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1539910493 KBXOIANODXNZJD-QFIPXVFZSA-N 434.588 4.650 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1539953916 PVTLJFOAGVXLQS-RBBKRZOGSA-N 442.629 4.864 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1539971428 GSVJPEVXAXBVRM-UHFFFAOYSA-N 431.584 4.976 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1539989222 QEVNDNPLNQOAKS-UHFFFAOYSA-N 426.952 4.814 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCCC1CCOCC1 1540133775 KOLKVUSBWQVLQF-UHFFFAOYSA-N 435.547 4.879 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1cn[nH]c1 1540154324 USJJNNZBHYUNSM-UHFFFAOYSA-N 431.569 4.521 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1CC1(O)CCCCCC1 1540187305 NTKWSUFKQZVQSI-UHFFFAOYSA-N 440.613 4.844 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2C[C@@H](F)c2ccc(Br)cc2)C1 1540890548 GLPBVGIHGITPET-RBUKOAKNSA-N 449.368 4.800 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCO[C@@H]2CCCC[C@H]2C)c2ccccc2n1 1542180998 HCBVJGAMDXNRSG-KHCICDEESA-N 446.599 4.993 30 10 IJEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C2CCCCC2)C[C@@H]1C 1544331094 BVGKGVDBVVJVBL-SFTDATJTSA-N 434.632 4.954 30 10 IJEE O=C(Nc1ccccc1C#Cc1ccccc1)c1cc(Br)cc2nc(O)[nH]c12 1545333536 FICLTUXBCHGCRJ-UHFFFAOYSA-N 432.277 4.683 30 10 IJEE C=CC(C)(C)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1556592830 FZNLZROQBCEALX-UHFFFAOYSA-N 441.380 4.665 30 10 IJEE C=C(CNC(=O)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1564881828 DCZKRQGJDSTVRY-OAQYLSRUSA-N 427.589 4.816 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CC(=O)N(CCCC)[C@@H]3c3ccc(OC)cc3)cc21 1585547412 YUWWFQXMUTZWTR-RCZVLFRGSA-N 446.551 4.559 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1cccnc1)C(C)C 1587594713 XVUXTENUGUWGEY-UWJYYQICSA-N 437.975 4.900 30 10 IJEE C=CCCC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1587776759 SBWFPXLUDFSHJY-UHFFFAOYSA-N 447.428 4.503 30 10 IJEE C#CCCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 1587827187 GPUOIMQBJAOXEX-UHFFFAOYSA-N 430.455 4.506 30 10 IJEE C=C[C@@H](CC)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 1588118376 DNSBXCMWKOGZEX-KPENOIPVSA-N 427.353 4.748 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1588289091 XEEPVXLRPFAUDZ-UTKZUKDTSA-N 445.007 4.908 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC(C)C)C1CCCC1 1589125187 HFMKCDBIXUGXIH-NHCUHLMSSA-N 432.678 4.968 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cscn1 1589506549 XWACINGXJYZUCH-APWZRJJASA-N 429.977 4.673 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1)c1ccccc1 1593775983 FSFFRSFYJAGNAZ-FQEVSTJZSA-N 449.603 4.505 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1594071058 XUOGWUFMNAHFGE-DENIHFKCSA-N 440.588 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1594076810 BIVIUXQHZKKWGI-UHFFFAOYSA-N 430.556 4.529 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)N(CC)CC)CC1 1594202241 IKLWHSLTWWZVQZ-QGZVFWFLSA-N 433.547 4.679 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1594534139 IGPKAICLKFUUPC-QZTJIDSGSA-N 428.581 4.622 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[C@H]1OC)C1CC1 1595026790 RYWVKGKMVQGTTP-QFBILLFUSA-N 431.378 4.678 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1C[C@@](C)(O)c1ccco1 1595161728 JOHFWKVDEMEVQB-HSZRJFAPSA-N 426.586 4.766 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCO[C@H]1C(C)C 1595204710 JFUJGURZZHBHRU-REWPJTCUSA-N 433.556 4.840 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1cccc(C(F)(F)F)c1 1597639356 CXBSVLSGPZWZFX-INIZCTEOSA-N 434.886 4.790 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCCCC1 1611742269 ADOOATLSDMRSJD-MOPGFXCFSA-N 445.011 4.686 30 10 IJEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)c2nc(C)cs2)CCS1 1614216107 DSAGXTLKYBGKGV-DNVCBOLYSA-N 438.626 4.717 30 10 IJEE CCN1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1615814665 DOFMWARRVNXLRT-MBSDFSHPSA-N 426.996 4.603 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCc1sccc1Br 1621047643 YZEWHUUZXPBJKM-UHFFFAOYSA-N 429.177 4.617 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N(CC)Cc3ccc(Cl)c(Cl)c3)ccc2c1=O 1626342772 LGGONXKCPIJJMC-UHFFFAOYSA-N 448.375 4.840 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 1629242773 ONGWTDDAXNRBMK-UGKGYDQZSA-N 426.582 4.969 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 1630113839 UDQFFZSJWFHDGF-PKOBYXMFSA-N 428.533 4.603 30 10 IJEE C=CCN(CCc1ccco1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1631675946 VEWWHSFXZWQUFT-UHFFFAOYSA-N 444.940 4.605 30 10 IJEE C#C[C@@H](NC(=O)Cn1c(C)c(Br)c2ccccc21)c1ccc(Cl)cc1F 1636312472 PULSLNJSWIGDOW-QGZVFWFLSA-N 433.708 4.995 30 10 IJEE C#CC[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1 1654668812 QZJQNMGOYXHWBD-HNNXBMFYSA-N 433.154 4.799 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@@H](C)Cc2cccc(F)c2)n(Cc2ccccc2)c1C 1658942824 HQDNFDPFHCSJSH-SFHVURJKSA-N 432.543 4.666 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@@H]1CCCCN1Cc1ccccc1 1659997270 LPSBYAJGHHPWLS-GMAHTHKFSA-N 425.642 4.638 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3OC(F)F)CC2)c(Cl)c1 1660443947 DSPPNJLDRFWDSY-UHFFFAOYSA-N 441.265 4.821 30 10 IJEE COc1cccc([C@@H]2C[C@H]2NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1661695221 DQTPLZAWBUPGQI-LEWJYISDSA-N 429.524 4.728 30 10 IJEE N#Cc1cc(S(=O)(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)ccc1C(F)(F)F 1662939289 FTAZFGDTCVDUGR-UHFFFAOYSA-N 442.409 4.723 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 1667621381 IABCPBLZZLIEND-KRWDZBQOSA-N 440.544 4.505 30 10 IJEE COc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 1668146453 ICMGLKGDUXKIKW-JTHBVZDNSA-N 431.467 4.963 30 10 IJEE C#CCN(C(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C1CCN(C)CC1 1668619248 ZQOIXWXVXUMSLB-MRXNPFEDSA-N 431.005 4.572 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)cc1 1671013948 AGHDFCDIXHTYKR-FOIQADDNSA-N 433.346 4.589 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nc(C)c2ccccc2n1 1672210587 YOWUZEFEBZWXKN-UHFFFAOYSA-N 427.302 4.587 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCN(Cc4ccc(C)nc4)C[C@H]3[C@@H](C)CC)cc21 1673311387 GYNLPSAJXJGNQF-DFBJGRDBSA-N 446.599 4.690 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCc2cc(Br)cc(F)c2C1 1673743190 BHAQATFBXGUYEM-FQEVSTJZSA-N 428.305 4.605 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 1676890570 YHHBIROTQWUDBN-WMZHIEFXSA-N 444.959 4.578 30 10 IJEE CCN(CC)[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)(F)F)cc1 1677794950 AIKFFOVNGRZMNE-FGZHOGPDSA-N 444.501 4.947 30 10 IJEE C=CCCOCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1679683058 PWEHAKYNRLZPRR-UHFFFAOYSA-N 432.568 4.890 30 10 IJEE C=C(C)[C@@H](NC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 1680280004 HUMQAYNFUBJFCS-JLTOFOAXSA-N 442.428 4.751 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1680743192 JETQNNVHHWCVHM-JOCHJYFZSA-N 443.563 4.630 30 10 IJEE C#CCN(C(=O)NCC[C@@H]1CC1(Cl)Cl)[C@H]1CCOc2ccc(Br)cc21 1684256750 KSSHTWKMMIZLJA-DOMZBBRYSA-N 446.172 4.501 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)c1nccs1 1689863581 XBPHEPOFMTWQGG-MSOLQXFVSA-N 437.613 4.873 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCC(C)(C)C)c1 1689868637 MSGXPHGLAITYEY-UHFFFAOYSA-N 433.556 4.729 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1689892969 QXIROVKJXGRHBN-UXHICEINSA-N 445.652 4.800 30 10 IJEE C#CCCCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC(F)(F)CC1 1689922201 FVPRABRFSDWENI-UHFFFAOYSA-N 432.515 4.782 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)Cc1cccs1 1690098188 YVKTYYPSPKLWNZ-MRXNPFEDSA-N 446.979 4.764 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)Cc1c(F)cccc1Cl 1690243157 HSSZGYNYHNPKJH-LAUBAEHRSA-N 441.938 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)CN1CCCC1 1690259340 FVPIMUKFNYKQBU-SFHVURJKSA-N 432.012 4.741 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(C)C)CC1 1690262715 KTJDTTROUHZOGG-UHFFFAOYSA-N 434.588 4.514 30 10 IJEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1690346536 WBBBDGASLBZREL-UHFFFAOYSA-N 433.940 4.575 30 10 IJEE C=C(Cl)Cn1c(N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)nnc1C(C)(C)C 1690354113 FSOHRVANPDHWEV-SJPCQFCGSA-N 438.016 4.695 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2CC2CCN(CCC)CC2)CC1 1690415020 UQCSIEKAEFEHNC-UHFFFAOYSA-N 435.660 4.978 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN1C1CCCCC1 1690533748 USUSISZNOITHCJ-OAQYLSRUSA-N 444.023 4.930 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCc1cccnc1 1690561278 JWSDBQWNKKOLEM-UHFFFAOYSA-N 440.576 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1Cc1snnc1C 1690579197 HVUBXMHCUXTOSB-UHFFFAOYSA-N 436.610 4.640 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCN1CC 1690586105 FFYVWPJJYAPCJF-HXUWFJFHSA-N 425.646 4.938 30 10 IJEE CSC1(Cn2c(-c3cccc(Br)c3)nnc2N(C)[C@H](C)CC#N)CCC1 1698359061 CZGBYKCQYWNWTM-CQSZACIVSA-N 434.407 4.732 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1705490195 DRXHBYOEFRESAD-VIQWUECVSA-N 446.599 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1705703626 VJEUFPVDERSVEG-LSWJPFSZSA-N 442.579 4.565 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1705721959 LQZVMZQWLZEZSA-KRWDZBQOSA-N 438.576 4.936 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCOC1 1705722363 IGZFRCTWLFUQHA-CQSZACIVSA-N 439.785 4.800 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCn2cc(C)cn2)CC1 1705777035 VYDREQMQKJRAPU-OAQYLSRUSA-N 434.588 4.642 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1705777863 RMJQNYXTOHKRTA-KDURUIRLSA-N 443.039 4.764 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1705804247 UQNNWMSEYQZDCP-JJCDCTGGSA-N 425.602 4.575 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1Cc1sccc1C 1705861257 ZZNSJIJFVRTNFT-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705862669 RTRCBJMJMHQGDT-NHCUHLMSSA-N 448.590 4.792 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1705945955 WAJYMNSZSNKKFX-FQEVSTJZSA-N 441.645 4.579 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C1CCCCC1)N(C)C 1722278634 QDELZMSOIHOKFE-IPJJNNNSSA-N 441.595 4.526 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1722340235 RSTUKCMUVCQYAY-NRFANRHFSA-N 449.624 4.524 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCC(F)(F)F 1722385256 BSAMPECGYKLWNM-UHFFFAOYSA-N 432.490 4.570 30 10 IJEE C=C(Br)Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCCSC 1722488162 CAQLGUQPIAUJKS-UHFFFAOYSA-N 441.464 4.977 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1csc(COC)n1 1722504200 FUGRJNDUVWAJMM-UHFFFAOYSA-N 448.596 4.855 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC2(O)CCCCC2)CC1 1722563948 DDLYHLQSQWHCPK-FQEVSTJZSA-N 440.588 4.668 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1722590208 BMTMTNZXZXRBAM-HXUWFJFHSA-N 427.549 4.709 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 1722599242 AQECDPQJPILESQ-UHFFFAOYSA-N 433.531 4.935 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCc1nc2c(s1)CCCC2 1722637991 ZKVSTMARPRNFPE-UHFFFAOYSA-N 431.968 4.938 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CC[C@@H](OC)C(F)(F)F 1722660109 MCVVPTGIDOHICK-GOSISDBHSA-N 426.458 4.845 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCC(F)(F)C1 1722678661 UUXKLFCYPKLHFM-KRWDZBQOSA-N 427.499 4.568 30 10 IJEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1740593321 XISKXHVBRVNZJS-FQEVSTJZSA-N 437.588 4.879 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCc1cc2ccccc2s1 1740648760 QFHXAWLOIBTPSC-UHFFFAOYSA-N 445.979 4.914 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H](OC)[C@@H](C)CC 1740663218 CRLVQDZHRVTZAL-FXAWDEMLSA-N 437.613 4.898 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1ccoc1C 1740722330 HCBVJQXUSLKCLK-UHFFFAOYSA-N 426.611 4.783 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1C[C@H](c1ccsc1)N(C)C 1740726602 GKGMOMGMLDIULS-RCZVLFRGSA-N 433.625 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCn1cc(Cl)cn1 1740726731 LZXNWEAVTTUIBP-XMMPIXPASA-N 436.991 4.785 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCC=C(C)C1 1740741984 YMFNWTWBVISQNA-UHFFFAOYSA-N 438.167 4.773 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)C)CC1 1740843382 GBABDGMQAXHFLN-IBGZPJMESA-N 429.584 4.690 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CO)CC1 1740844734 SLBFCCMXTTXPFY-UHFFFAOYSA-N 433.394 4.519 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)c1ccccc1 1740854130 LKTTYDSQSQOIGP-YMTHKQQSSA-N 438.616 4.924 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740862996 LANOYSUOEGSLJL-OAQYLSRUSA-N 434.588 4.684 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740870194 CYADOSPYHBTKLY-SFHVURJKSA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1Cc1ccnc(SC)c1 1740917986 DNGPSMBHBPNJFY-UHFFFAOYSA-N 430.581 4.641 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCCc1c[nH]nc1C 1740921120 LLZLBMGJXBBASX-UHFFFAOYSA-N 445.546 4.645 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(COC)CC1 1740997072 MFAJPBVNPILBIH-KRWDZBQOSA-N 446.686 4.913 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(n1)CCCC2 1743912381 CQRGBOZRIASKHB-CVDCTZTESA-N 428.584 4.880 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1748732111 SRJJLCNEQPUZGB-DVECYGJZSA-N 440.613 4.564 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(C)(C)C(C)C 1748953588 PJVGGKRVZOTCKC-UHFFFAOYSA-N 439.423 4.537 30 10 IJEE C=C(Br)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC1CC1 1749086084 GXZZVLNSWWXGNV-UHFFFAOYSA-N 426.362 4.947 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749357077 IPKQNMKKOOGWBG-WAIKUNEKSA-N 448.970 4.724 30 10 IJEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@@H](SC)C1 1749459408 JCABSXISDIRMEU-OAQYLSRUSA-N 439.629 4.596 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)cc1F)C1CC1 1749511239 STHUJGMPNMPLIE-UHFFFAOYSA-N 448.315 4.527 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)Cc2ccsc2)cc1 1749684470 XOSWLAHMSDLKQZ-UHFFFAOYSA-N 431.565 4.960 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](OCCC)CC1 1749690050 MARMDNCPHAAKSA-OAQYLSRUSA-N 435.572 4.672 30 10 IJEE C=CCSCCn1c(Nc2ccn(C)n2)nnc1-c1cc(C)n(-c2ccccc2)c1C 1749764259 XJARYFCMNHUQGJ-UHFFFAOYSA-N 433.585 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(CCOCC)CC1 1760288765 JQPCOLKALMSIKE-NTKDMRAZSA-N 440.563 4.756 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760369995 DQWDKKOAAMKRDC-RTBURBONSA-N 446.979 4.643 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCC(F)(F)F)CC1 1760400549 FRFOOCSTAPTAOD-UHFFFAOYSA-N 430.478 4.876 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760408783 RQWMEMWWOWGFPM-NHCUHLMSSA-N 440.588 4.712 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1760446823 DDHGTLADRLRGLB-NRFANRHFSA-N 430.980 4.587 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1N(C)CCCC1(C)C 1760482188 COTGOOVUWWOZAM-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1760487081 IZAOEZDZCULMCR-QHCPKHFHSA-N 428.602 4.848 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1760508605 YWSJMAOLHZOOHX-INIZCTEOSA-N 431.968 4.526 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)CC1 1764632163 BHRHCNPJDBILJJ-FQEVSTJZSA-N 429.515 4.648 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC[C@H]1C 1766085867 HHCPVNPFQUJDQB-OHUGHZGNSA-N 437.588 4.822 30 10 IJEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)CC(C)(C)C2)CCCC1 1768237534 HZGVKAMJDGTDQP-LJQANCHMSA-N 437.588 4.560 30 10 IJEE CSc1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1770489848 BCDBFBRSEJOGON-NZQKXSOJSA-N 425.602 4.614 30 10 IJEE CCCCCCCOc1cccnc1NC(=O)NC[C@@H](c1ccc(OC)cc1)N(C)C 1858798954 JFMPVRMGGGEFAT-NRFANRHFSA-N 428.577 4.864 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1C#N 1860665526 MWBHDYFCSURAGO-OAGJVSPASA-N 439.556 4.947 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1 1861735651 SYGAVNMDNQVNHJ-HSZRJFAPSA-N 445.003 4.923 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(O)c2)cc1 1862389399 FFZMJYDTZHRFOX-XMMPIXPASA-N 442.515 4.908 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc(O)c2)cc1C 1862401289 XUHUFDFXSPDDST-XMMPIXPASA-N 443.499 4.530 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@H]1c1ccc(Br)cc1 1862540377 MOFYMSCZTZDKPE-LJQANCHMSA-N 428.326 5.000 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862582712 KZQDSJDPNZKTIX-KRWDZBQOSA-N 435.263 4.888 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@@H]2c2cccc(Cl)c2)cc1 1862591835 PGQXUAYNYBTQTH-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1862603046 PVFXSFJVWCRPEB-DEOSSOPVSA-N 441.483 4.736 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 1862690587 BXKZCCBELDJGDC-QFIPXVFZSA-N 448.544 4.601 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1ccccc1F 1862737406 WHZXXISTZNXLDR-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CSc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1862769426 YGSSKVXVJZMENE-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(C)cc3C)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862839556 TWUVEYOEDBRITA-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CCCOc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 1862970921 MAZCTLIXVBVNLV-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE COc1ccc(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3cc(C)ccc3C)C2=O)cc1 1863402041 NVADXAOHSFCVRG-UHFFFAOYSA-N 437.499 4.576 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2cccnc2)=C(c2ccc(Cl)cc2)C1=O 1863534149 IVOKHOBWJCRUFP-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1ccccc1C#N 1866651222 AWQDRYXFMOQZIL-JOCHJYFZSA-N 444.535 4.686 30 10 IJEE CCCc1nc(Nc2cccc(C#N)c2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868378925 XDHCRZGZQLQQIF-QFIPXVFZSA-N 430.531 4.677 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 1870141024 VTPDPIZPKROVFK-LICLKQGHSA-N 442.567 4.935 30 10 IJEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CSc1nc2ccccc2s1 1870216204 ODLXKOJDYXSMMG-UHFFFAOYSA-N 444.578 4.658 30 10 IJEE Cc1nc(SCc2cc(=O)c(OCCOC(C)C)cn2CC(C)C)c(C#N)c(C)c1C 1870299382 LUIKLAHBRWYNHU-UHFFFAOYSA-N 443.613 4.792 30 10 IJEE C=CCOc1cn(CCCN(CC)CC)c(CNc2ccc(N(CC)CC)cc2)cc1=O 1870810958 ABEPTSXTUNCXQW-UHFFFAOYSA-N 440.632 4.603 30 10 IJEE C#CCOc1cn(CCCOCCCC)c(CNc2ccc(OCCCC)cc2)cc1=O 1871005379 CYKDWMYZNIUGEQ-UHFFFAOYSA-N 440.584 4.858 30 10 IJEE COc1ccc(OCCN2COc3c(cc4c(c3C)O/C(=C\c3ccccc3)C4=O)C2)cc1 1871351763 YKOHOKNRHOSIDE-OYKKKHCWSA-N 443.499 4.851 30 10 IJEE Cn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCOc4ccccc43)C2=O)c2ccccc21 1871396189 TWQLTSNKEFZXBS-QFEZKATASA-N 438.483 4.899 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(N(C)C)cc2)C3=O)o1 1871438850 UZGCJOORUXEGTP-XKZIYDEJSA-N 433.460 4.636 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3C2=O)o1 1871450855 SQWTVXFYVZUMLW-HKMXWPIPSA-N 434.404 4.518 30 10 IJEE COc1ccc(Br)cc1/C=C1\Oc2c(ccc(OCCCN(C)C)c2C)C1=O 1871451556 AWRRSLYDOSWDGZ-MOSHPQCFSA-N 446.341 4.713 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(F)cc1 1872504788 MZJZPNBPDUCDFD-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)cc(C)cc1C 1872515495 XOPODPWHXKYZIC-QFIPXVFZSA-N 428.598 4.823 30 10 IJEE COc1ccc(C(C)(C)C)cc1-c1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)n1 1872777625 RVSQLEDTRAWBAD-QAPCUYQASA-N 439.581 4.549 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(Cl)c2C)cc2c(NCCCOCC)ncnc21 1873605050 GYYHEWGXFHVQHX-UHFFFAOYSA-N 427.936 4.670 30 10 IJEE N#Cc1ccccc1NC(=O)COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1 1873868996 ZTBIYRIHCYCHPF-UHFFFAOYSA-N 432.382 4.627 30 10 IJEE Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1874180854 VHXLEFGVURDIJG-UHFFFAOYSA-N 447.310 4.520 30 10 IJEE CC(C)(C)c1ccc(OCCCc2nnc(SCCO)n2/N=C/c2cccs2)cc1 1874196215 YRFKIWLGAREWSQ-XQNSMLJCSA-N 444.626 4.615 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CCCC2)cc1 1874451759 OAMQCRDAKPYGNM-BUVRLJJBSA-N 435.553 4.557 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2C(F)(F)F)c1OCc1cccc(Cl)c1 1874559801 PKKFPXUBSPMKGS-NUGSKGIGSA-N 442.850 4.709 30 10 IJEE CCCCCCCCC(=O)Oc1cccc(C(=O)CCN2CCC3(CC2)OCCO3)c1 1874736930 BPBAEBSEWISYFA-UHFFFAOYSA-N 431.573 4.754 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)c1 1875101881 FSSMUHZXSPVVGD-CSKARUKUSA-N 448.387 4.627 30 10 IJEE Cc1cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)ccc1[N+](=O)[O-] 1875150224 CGELCOQVVOBQMP-ONNFQVAWSA-N 431.400 4.747 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)cc3Br)cc21 1890478614 WZJMJLYSSBSEFG-UHFFFAOYSA-N 443.341 4.947 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)c(F)c1 1894965516 BFDSNDACKYTYBB-ROUUACIJSA-N 427.358 4.936 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cnc(CNC(=O)OC(C)(C)C)s1 1922115723 JWVAZWOWOVCOIE-OAQYLSRUSA-N 431.602 4.982 30 10 IJEE C=CCC1(NC[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1924542202 RAIQBCPGULXVPA-MOPGFXCFSA-N 437.625 4.567 30 10 IJEE COc1cc(C=C2COc3ccc(Br)cc3C2=O)cc(OC)c1OC(F)F 2040500089 WMKUSMJOBHKKTN-UHFFFAOYSA-N 441.224 4.726 30 10 IJEE Cc1cc(NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)ccc1C#N 2067209906 GJQWJQOBSXBSPD-UHFFFAOYSA-N 434.584 4.838 30 10 IJEE COc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C#N)c2I)cc1 2079897365 XAEKPRIBKCZRJQ-HNNXBMFYSA-N 443.235 4.695 30 10 IJEE C#CCN(C[C@@H](Cc1cccc(Br)c1Cl)NCCC)C(=O)OC(C)(C)C 2110499787 CQVWYQJABOHXPD-MRXNPFEDSA-N 443.813 4.884 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2221623328 FJNFCWSNVYWUDB-UHFFFAOYSA-N 430.354 4.506 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sc(C)cc1Br 2221899680 LWIRKFILKBSXHK-CQSZACIVSA-N 431.396 4.637 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CC1CC1 2233309549 YOQLIEWTTKLUAV-CRAIPNDOSA-N 441.414 4.566 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1 2256886375 JQHAVJSXYWYSIS-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE C=CCCC1(C(=O)c2c(Br)cnn2C(C)C)CN(C(=O)OC(C)(C)C)C1 2266278256 ZUTZGMRHHNXQTC-UHFFFAOYSA-N 426.355 4.613 30 10 IJEE C=CCN(C[C@@H](NCCC)c1ccc(Br)c(OC)c1)C(=O)OC(C)(C)C 2266701476 IHXJXXRWIXTDTH-QGZVFWFLSA-N 427.383 4.922 30 10 IJEE CN(C(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2267001959 SCJWNJWRLTVTNU-FNAHDJPLSA-N 439.405 4.845 30 10 IJEE COc1ccc(NC(=O)OC(C)(C)C)c([C@@H](O)C#Cc2ccc(Br)cc2)c1 2296277589 UPHSFTKQRVUYAG-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C1CCCCC1)[C@H](N)C#Cc1ccc(Br)cc1 2296290317 BDFSUBDIBHRXSV-WOJBJXKFSA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2296310683 MSCNSYGWYJRVIM-ILZDJORESA-N 435.406 4.814 30 10 IJEE Cc1ccc(C=Cc2nc(C#N)c(N3CCN(C(=O)c4ccccc4Cl)CC3)o2)cc1 2296746778 ZIDNMYXBVSZOEV-UHFFFAOYSA-N 432.911 4.641 30 10 IJEE C[C@@H](C#CC(=O)Nc1cc(Cl)c(Br)cc1Cl)NC(=O)OC(C)(C)C 2302425874 KWFVOBMQQNJGMC-VIFPVBQESA-N 436.133 4.611 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 2314430085 VWYGCLMGVCPBNY-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE C#CCCCCCCNC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2316832443 LGRQHOJBWARAFY-SANMLTNESA-N 442.600 4.530 30 10 IJEE Fc1cccc(Cl)c1CSc1nnc(C2CC2)n1N=Cc1ccc2c(c1)OCCO2 2320917858 BKYPBXDBUPNXFV-UHFFFAOYSA-N 444.919 4.894 30 10 IJEE O=C(Oc1ccc(C=Nn2cnnc2SCc2ccccc2F)cc1)c1ccccc1 2321283891 YMMQVAUEQYMHTK-UHFFFAOYSA-N 432.480 4.811 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)cc1 2321859595 HMHRMEGMBLFMPH-UHFFFAOYSA-N 444.439 4.706 30 10 IJEE COC(=O)c1ccc(CN2COc3cc(C)c4c(c3C2)OC(=Cc2cccs2)C4=O)cc1 2321985778 TZFMBDMGNHJMGI-UHFFFAOYSA-N 447.512 4.811 30 10 IJEE COc1ccc(OCCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccc(C)o2)C4=O)cc1 2321998368 UOVVEAWUMKQAKP-UHFFFAOYSA-N 447.487 4.752 30 10 IJEE COc1cc(Cl)cc(C=CC(=O)c2ccccc2)c1OCC(=O)Nc1nccs1 2322545760 METBWRCAXGIQIG-UHFFFAOYSA-N 428.897 4.719 30 10 IJEE CCOC(=O)CN(Cc1ccccc1)Cc1c(O)ccc2c1OC(=Cc1cccs1)C2=O 2324048063 UVSSHHSVXDEFIA-UHFFFAOYSA-N 449.528 4.635 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)cc(Cl)c1OCCO 2324426334 IHHCVRDLJTXZCI-UHFFFAOYSA-N 441.307 4.677 30 10 IJEE C=CCOc1ccccc1C=Nn1c(Cc2ccccc2[N+](=O)[O-])nnc1SCCC 2325424629 JCRKCCPROWYPEK-UHFFFAOYSA-N 437.525 4.726 30 10 IJEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)Nc4cccc(C)c4)ccc3C2=O)c1 2325726909 KUBHCFDVZLKXJL-UHFFFAOYSA-N 445.471 4.646 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1N=Cc1cc(OC)c(OC)cc1OC 2326401275 JINQTTUBJHPQLI-UHFFFAOYSA-N 440.569 4.658 30 10 IJEE COc1ccc(OCc2nnc(SCCc3ccccc3)n2N=Cc2ccco2)cc1 2328396321 LDSFQHJZIDNIML-UHFFFAOYSA-N 434.521 4.676 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1N=Cc1cccc(C)c1 2329143557 WRAUEAHOOKUPMB-UHFFFAOYSA-N 442.972 4.758 30 10 IJEE Cc1ccc(Cc2nnc(SCCc3ccccc3)n2N=Cc2ccc(O)cc2O)cc1 2330002408 OKMPOLPWHALCLB-UHFFFAOYSA-N 444.560 4.806 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 2330730076 KMINXIMDMHSJQD-UHFFFAOYSA-N 443.452 4.612 30 10 IJEE Cc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)ccc1[N+](=O)[O-] 2331397578 PGTFSIFTYNWMQA-UHFFFAOYSA-N 445.427 4.790 30 10 IJEE CCc1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)(C)C)cc1 2331402651 BUNJVEKEYRROTP-UHFFFAOYSA-N 446.580 4.961 30 10 IJEE COc1cccc(C=Nn2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C2CCC2)c1 2331484218 VZXYXXGYRGHPOG-UHFFFAOYSA-N 449.580 4.784 30 10 IJEE CCOc1ccc(C=Nn2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)C)cc1 2331678840 WEHGQNJSTCBGSX-UHFFFAOYSA-N 441.532 4.552 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC(C)(C)[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339579001 OYXKQZOIEHZHID-PKOBYXMFSA-N 444.381 4.797 30 10 IJEE CN(CC(C)(C)COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339589212 UGIUOHDVUNQYIU-UHFFFAOYSA-N 446.397 4.998 30 10 IJEE Cc1cc(CN[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369682640 YCWZWWXZBDERNM-PHTYHVAFSA-N 448.460 4.540 30 10 IJEE Cc1cc(CN(C)Cc2cscc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2369727216 AGIKDYNTCBUFKZ-UHFFFAOYSA-N 436.224 4.750 30 10 IJEE O=C[C@]1(Cc2ccc(I)c(Br)c2)CCc2ccccc21 2377430165 URBILPZKJAJLFG-QGZVFWFLSA-N 441.106 4.679 30 10 IJEE Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 20133620 IVOZHNPMSJUISW-NRFANRHFSA-N 447.520 4.809 30 10 IJEE COc1ccc(COc2ccc(/C=N/Nc3nc(SCc4ccccc4)n[nH]3)o2)cc1 20424613 NUJRWYYKWNSGFT-YDZHTSKRSA-N 435.509 4.724 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C(F)(F)F 20840072 BWSQBJGRXXHOTN-UHFFFAOYSA-N 425.263 4.911 30 10 IJEE COC(=O)c1ccc(/C=C2/Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)cc1 37857636 QABYXWPARWUAFH-FSJBWODESA-N 437.536 4.909 30 10 IJEE CC1CCN(Cc2c(O)ccc3c2O/C(=C/c2cc(Cl)cc4c2OCOC4)C3=O)CC1 37857846 BFUNKBYEWGMLIW-UFFVCSGVSA-N 441.911 4.760 30 10 IJEE CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cc(Br)ccc32)cc1OC 39854076 FIIINLUMGPYGQC-ATJXCDBQSA-N 447.329 4.752 30 10 IJEE C=CCn1c(SCCC(=O)Nc2ccccc2OC)nnc1-c1cccc(Cl)c1 59794808 WFEWILWQTBWDMP-UHFFFAOYSA-N 428.945 4.914 30 10 IJEE COc1ccccc1[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 78454774 HJOKXACTEKCTKR-GOSISDBHSA-N 438.281 4.640 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc(Br)c2)C1=O 100209279 RASCPPNCGIWRAA-FOWTUZBSSA-N 430.323 4.993 30 10 IJEE CC1=CC(=O)/C(=C2\C[C@@H](c3ccc(Br)cc3)Nc3ccccc3N2)C(=O)O1 103249664 COIPLQLDXBSOQY-VGVBMJIYSA-N 425.282 4.702 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c1 164442037 PVPONMZKTWQZPV-ACCUITESSA-N 431.488 4.926 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)s1 169954330 HOQQSYRTZPPMKD-NRFANRHFSA-N 447.560 4.917 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2cccc(C)c2)cc1 169972911 QXKRKMMAJZQJFW-XMMPIXPASA-N 443.499 4.791 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1C 169983549 PANUAVQKLFKACO-NRFANRHFSA-N 449.484 4.577 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2CCOC(C)C)c1 170035201 LEJAGEZITZVKEX-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)cc1 170095070 YFKSAIQMZJZZQW-QFIPXVFZSA-N 433.460 4.858 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccco2)c1 170095690 MTJFTKBJFAUZSC-JOCHJYFZSA-N 442.427 4.767 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccc(O)cc2)c(C)c1 170133320 RSNQTIXPFCZILA-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)cc1 170168093 POKCPBWDSOGIGA-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccccn2)cc1 170172458 RXQQZEUNDZXMQZ-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccn2)c1 170182325 MTCPZFYJWBTJMO-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1cn(C)c2ccccc12 170269505 NEYMPWOLIAPISN-JOCHJYFZSA-N 432.520 4.792 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCCN(C)C)o1 170308867 CSDDJVDDIDGMDN-JOCHJYFZSA-N 438.568 4.724 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCOC)c1 170323087 ZIVJPOZAIDZJJT-XMMPIXPASA-N 449.547 4.579 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccc(Br)o2)cc2oc(Br)cc21 223723824 KVUKWRBLQHKHRW-UHFFFAOYSA-N 442.107 4.811 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 304112734 ZFMNGBUVJVJMKV-ZWKOTPCHSA-N 446.316 4.678 30 10 IJEE CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)o1 480998692 NERXBFNQYFSNGT-FTRWYGJKSA-N 429.542 4.533 30 10 IJEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 502522477 CWYXIXXFOOJQMD-RXFWQSSRSA-N 431.536 4.678 30 10 IJEE COc1ccc([C@H](NC(=O)N2CCC(C)(C#N)CC2)c2ccccc2Cl)c(OC)c1 508348126 IZGIQESBUUECQD-OAQYLSRUSA-N 427.932 4.782 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 508831695 GDFDZCHACBNMIB-WIEQDCTASA-N 437.371 4.601 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 508858239 QONRWUCWYOIRJZ-VQTJNVASSA-N 435.597 4.816 30 10 IJEE C=CCOc1ccc(C(=O)N2CCC[C@@H](N(C)C(=O)c3ccc(OCC=C)cc3)CC2)cc1 514046512 SVOGBOYJLWNTGF-HSZRJFAPSA-N 448.563 4.583 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2OC)c1 526517797 VYGLHAAJPUPRBL-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE COc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2cccc(C#N)c2)c(OC)c1 526521100 KZFAXHZZXHYOOM-DEOSSOPVSA-N 426.472 4.941 30 10 IJEE CCOC(=O)c1ccc(CSc2nncn2/N=C\c2cccc(Cl)c2Cl)o1 526830024 LZXKHLZIIVPZIB-WNFQYIGGSA-N 425.297 4.529 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)Nc3cc(C)ccn3)C2)c1 585878167 CCUDAZNHPTZJFQ-OAQYLSRUSA-N 435.572 4.654 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)c3cc(F)ccc3F)C2)c1 586056534 YZKXDMZKWMVDQP-FQEVSTJZSA-N 441.522 4.837 30 10 IJEE COc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1 586213652 SFEXACVHXVHDBH-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(Cc3ccccc3OC)CC2)c1=S 764965154 ISYREYFVTAVSSQ-UHFFFAOYSA-N 449.624 4.973 30 10 IJEE COc1ccc([C@H](NC(=O)CSCc2cc(Cl)ccc2OCC#N)C2CC2)cc1 773437205 BVJDZXYYWMUIBQ-JOCHJYFZSA-N 430.957 4.752 30 10 IJEE C=C(C)COc1cccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)[C@H]3CCCO[C@H]3C2(C)C)c1 783601396 WTLYEWUVZNSWFX-WZOHSFFVSA-N 444.572 4.679 30 10 IJEE C=CC[C@H](CCc1ccccc1)OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 797564628 LFBKUBDLCZMQEK-OAQYLSRUSA-N 427.491 4.938 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc(F)cc1 812950701 DZUKRPJYGMKEOX-HXUWFJFHSA-N 441.915 4.967 30 10 IJEE CCc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 916845931 WYCTZNROLYPREJ-QGZVFWFLSA-N 433.533 4.677 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)n[nH]1)c1ccc(C)cc1 1084252842 FSUZDRTWIPZFBM-UHFFFAOYSA-N 448.474 4.699 30 10 IJEE CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)[C@@H]1CCCN(Cc2ccccc2)C1 1126868607 GPAIKXUOPLBPGD-AREMUKBSSA-N 439.559 4.874 30 10 IJEE Cc1cc(C)c(C#N)c(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 1130814811 FQPRWLIMJAZLNV-NRFANRHFSA-N 432.911 4.723 30 10 IJEE C[C@H](NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)c1cccc(C#N)c1 1133725240 AOSKIVUBKIDGNK-HNNXBMFYSA-N 449.352 4.876 30 10 IJEE C#CCCN1CCC(NC(=O)c2sc(-c3ccc(C)c(C(F)(F)F)c3)nc2C)CC1 1136962670 UNRZDSOWPYWXGU-UHFFFAOYSA-N 435.515 4.663 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](CCC)C1 1137818884 ASTNIFZCILLHGB-GOTSBHOMSA-N 443.632 4.749 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)c1ccc(Cl)cc1F 1140478923 VUTGACUKVPNTRJ-IBGZPJMESA-N 442.947 4.568 30 10 IJEE C#Cc1ccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 1141042672 AWBMYCHDIWWQCZ-UHFFFAOYSA-N 446.572 4.632 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Sc1nccn1C 1142716539 CXYUENLBDZCDLN-HNNXBMFYSA-N 436.965 4.546 30 10 IJEE C#CCN(CC1CC1)C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1151196771 XPIILGRNMRILRH-UHFFFAOYSA-N 438.593 4.579 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)CCSCc1nc(O)c2c3c(sc2n1)CCCC3 1158173443 PXOZAGQESCJPHX-OAHLLOKOSA-N 431.627 4.856 30 10 IJEE C=CCN(CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)Cc1cccc(C#N)c1 1190642799 HUTVVMXCBNFDBF-UHFFFAOYSA-N 430.577 4.849 30 10 IJEE C#C[C@@H](C)N(C)CC(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC 1193919831 FNLBWHAZXIONHV-GFCCVEGCSA-N 439.364 4.791 30 10 IJEE C[C@@]1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCCC[C@@H]1O 1199731201 BOXRIARENRDCMD-GMAHTHKFSA-N 427.932 4.853 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc(Cl)c1F 1209065294 PXQNWMYKZIZABT-UHFFFAOYSA-N 436.705 4.758 30 10 IJEE COC(=O)[C@@]1(C)CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H]1C 1214721308 BVEWGFMGHTYWOD-FOMLIJIXSA-N 425.916 4.658 30 10 IJEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1 1214972297 HOXNVDCPVKWNSL-UHFFFAOYSA-N 447.413 4.808 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 1215372707 JIYHTJIWZOEFAG-ABAIWWIYSA-N 426.357 4.749 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1229653952 VPKZPTZHOPAPAU-CVDCTZTESA-N 427.951 4.755 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c(C(=O)OCC)c1C 1264357800 ZQDLRASHXGCJDJ-ZDUSSCGKSA-N 433.501 4.532 30 10 IJEE C#CC[C@@]1(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1269803347 LYQSVAAHUPDXIG-QKKBWIMNSA-N 425.356 4.964 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@](C)(O)c1cccs1 1286282921 PNXYUGWWWYXMBE-RBZFPXEDSA-N 435.380 4.679 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1286356016 IJKMURAOSZVXOS-HXUWFJFHSA-N 435.597 4.728 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@](C)(O)c1cccs1 1286450177 DTLTUEOAQMCLGX-AOMKIAJQSA-N 444.988 4.500 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OCCC)CC1 1286503929 LTAWUFBPSDUZGT-LJQANCHMSA-N 437.613 4.578 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@]2(CCSC2)C1 1286533969 NKKKBMLJWXHAIU-FQEVSTJZSA-N 433.419 4.750 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCc1cc(Br)ccc1F 1286582652 BLVBDAGSMDQCLV-GOSISDBHSA-N 437.357 4.676 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1286622666 ZHYUQMPBSNPVSN-SFHVURJKSA-N 449.430 4.838 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1286729206 NUUYVKHROAXVSX-NHCUHLMSSA-N 439.648 4.853 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1286745253 RODZDBZOGTVAGR-HXUWFJFHSA-N 445.583 4.722 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N(C)C[C@@H](C)c2nccs2)cc1 1286794461 HUYMZRHWTVIXFV-QGZVFWFLSA-N 434.569 4.583 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)S[C@@H](C)C1 1286822477 DSMRGHQPHXXETA-ULQDDVLXSA-N 436.622 4.807 30 10 IJEE Cc1ccc(SCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2N(C)CCCC2(C)C)cc1 1289860510 AYVGTKODXKCUOD-TZIWHRDSSA-N 440.661 4.595 30 10 IJEE Cc1ccccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1290123367 BJYCGKHXBPESDP-IPVFLDMMSA-N 434.632 4.752 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@@H]12 1295454784 DGVSPHCARZKHSO-WMMXXEOUSA-N 433.658 4.839 30 10 IJEE C#Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)cc1 1298092693 LHLMLQJBOYBSSU-LJQANCHMSA-N 432.442 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(O)(CCC)CCC 1300284899 VMIJVOOQUDSLCT-ROUUACIJSA-N 428.646 4.921 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1300747231 ZDINFVGOQWGTNH-QFIPXVFZSA-N 433.021 4.606 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(C)(C)C)C1 1300896852 KUGOKZULPIRDFM-PWHSHALESA-N 442.579 4.850 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccoc1C 1300897887 VSJXUOMONULPAR-WMZHIEFXSA-N 440.519 4.515 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCO[C@@H](C)C1 1301018988 OHKPLYXZGYVXTD-SFHVURJKSA-N 425.964 4.720 30 10 IJEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN(C)C2CCCCC2)CC1 1301072611 OUEGWSRPDJFNII-UHFFFAOYSA-N 438.576 4.664 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2CCCC2)CC1 1301112144 LOYVUNLUCLZDHH-UHFFFAOYSA-N 426.561 4.564 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2C[C@H]2C)CC1 1301133894 BULXMHXXUGHVCU-NVXWUHKLSA-N 431.378 4.678 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](CCOC)C1 1301150647 ZDICEJIGIAKROW-FQEVSTJZSA-N 434.588 4.596 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CC[C@](C)(CC)O1 1301338148 RCSZYLLXHBIENN-RQTOMXEWSA-N 440.588 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)CC 1301360033 UUBQOKAGWJSTSQ-XMMPIXPASA-N 433.581 4.908 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](OC)C1 1301620208 CXKCVJAPGCESQP-OAQYLSRUSA-N 444.645 4.689 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCS1 1304057773 CAFFZOJXKBKKRG-MAUKXSAKSA-N 438.626 4.869 30 10 IJEE COC(=O)c1cccc(CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)c1C#N 1307534180 GVDQURJHEZCWEH-UHFFFAOYSA-N 443.478 4.689 30 10 IJEE CC(C)[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)OC(C)(C)C 1310248016 GVUKWMFXBYLNNY-OAQYLSRUSA-N 441.503 4.764 30 10 IJEE C#C[C@H](NC(=O)Nc1nccc(N(CC)C2CCCC2)n1)c1ccc(Br)cc1 1310702459 HOQZNSAPHXHJOS-SFHVURJKSA-N 442.361 4.504 30 10 IJEE C=C(C)[C@@H](NC(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2)c1ccc(F)c(F)c1 1311158416 SCDJROFVMXYJNX-HSZRJFAPSA-N 437.494 4.616 30 10 IJEE C[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)c1ccccc1C(F)(F)F 1312306841 APVZYTCCTMCOHD-ZWKOTPCHSA-N 444.501 4.596 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CC)c1cccc(OC)c1OC)c1ccc(Br)cc1 1312936161 GLSNEIUXVWCKKP-MSOLQXFVSA-N 431.330 4.591 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc3sc(C)nc3cc2OC)CCCN1C(=O)OC(C)(C)C 1352357739 PIGYBZDITOMVEO-QFIPXVFZSA-N 431.558 4.898 30 10 IJEE C=CCCCCCN(C)C(=O)c1cc(Br)cc(I)c1 1354055318 VEJYZHCNGSQZSW-UHFFFAOYSA-N 436.131 4.872 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc3c(Br)cnn3c2)c1 1358275163 XIEYAXUNKGSMAF-UHFFFAOYSA-N 430.305 4.925 30 10 IJEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1358924694 FIZWHEZRBDIOOW-JOCHJYFZSA-N 444.627 4.711 30 10 IJEE C#CCN(CCOC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CC1(C)C 1359018823 DEQWHVLUUSXITR-OAHLLOKOSA-N 428.989 4.945 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCc2csc(C(C)C)n2)CC1 1359168973 OYBNETROWABDQA-UHFFFAOYSA-N 441.576 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359191514 CJBOMDIKRSSTDF-OALUTQOASA-N 429.584 4.517 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)CC1)c1ccccc1 1359195420 MBGFNCGQEZTWMD-FQEVSTJZSA-N 435.538 4.521 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359199639 CGTOBAOSEWWOMW-MOPGFXCFSA-N 448.398 4.856 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[C@H](O)C1 1359258126 HERCRSRAIGOFIZ-CTNGQTDRSA-N 437.975 4.737 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1360163645 DLUYSNCTTZIPSR-SANMLTNESA-N 442.600 4.956 30 10 IJEE C#CCOc1cccc(NC(=O)C[C@H](C)CCc2ccc(I)cc2)c1 1435135489 DDWNCWAYASYJPG-MRXNPFEDSA-N 447.316 4.901 30 10 IJEE C=CCCC1(CNC(=O)c2cnc3c(cnn3Cc3ccc(OC)cc3OC)c2)CCCC1 1437639720 PHWLEFSWRXLUAG-UHFFFAOYSA-N 448.567 4.753 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C 1443809710 DUTUNDBRQINMPC-INIZCTEOSA-N 430.467 4.549 30 10 IJEE O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccnc(OCC(F)(F)F)c1 1459554915 IDPPKYQOPQXVGO-CYBMUJFWSA-N 430.707 4.849 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@@H]1CCCO1 1465771463 JYULWRWQDWPNLJ-QUCCMNQESA-N 429.398 4.672 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(Oc3ccccc3)c(Cl)c2)n1 1467406394 OFHNMSFBJDTHPP-UHFFFAOYSA-N 438.915 4.643 30 10 IJEE C=CCC[C@H](NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1)C(=O)OCC 1468125394 MDNUHDKHSQSYPM-QFIPXVFZSA-N 435.499 4.615 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1F 1470667149 POQZCYZDPPINIW-ZWKOTPCHSA-N 429.706 4.883 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 1476729074 OZNNKFVYCWDILN-HNNXBMFYSA-N 448.336 4.801 30 10 IJEE C=CCCC1(CNC(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)CCCC1 1478966260 NOZFZSONWLVAEJ-KRWDZBQOSA-N 428.495 4.613 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(C)CCOCC1 1507517455 QLOBLAMYCBCRFO-RTBURBONSA-N 445.007 4.963 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1sc(C)nc1C 1507522979 ZPGGTFXOMSGTNZ-ZIAGYGMSSA-N 425.627 4.711 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccco1)N(CC)CC 1507525234 FNBNLMDUGBRWBP-XLIONFOSSA-N 425.964 4.733 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCCCN1CCCC[C@H]1C 1507667741 VQXQHSRSHKEVLP-OAQYLSRUSA-N 438.019 4.716 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1c(Cl)cccc1OC 1507762520 VIUCGYOAEQZFPK-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1507763489 WMVBUUFQTCXKID-LGVUCKNBSA-N 444.627 4.565 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCc1ccc(OC(F)(F)F)cc1 1507767636 DWZATGQEBAHCSI-DENIHFKCSA-N 448.489 4.653 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccccc1OC(F)(F)F 1507818545 WQJYSAKOUPIPGT-UHFFFAOYSA-N 431.462 4.998 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](CCC)OC)CC1 1507881520 VWZPVSVVNDJZDO-AWEZNQCLSA-N 425.396 4.741 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cnn(C)c2C)CC1 1507896823 LUZGFQXNVAUCBM-QGZVFWFLSA-N 440.979 4.564 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCOCC1CC1 1507974357 GBZLKBATCMQDDK-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CC[S@@](=O)C(C)(C)C)C1CC1 1507987791 CGPKDFSBFFXYNR-SSEXGKCCSA-N 446.686 4.978 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1507990743 TXALYVXBOYEWHQ-GOSISDBHSA-N 441.551 4.639 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1508005270 VRTGXUXBERUXQI-QFIPXVFZSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1CCn1ccnc1C 1508009542 RIWKGOMNEROWMH-UHFFFAOYSA-N 432.597 4.967 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(C)cc2C)C1 1508113913 BJNPUIGVYXATHG-OAQYLSRUSA-N 437.975 4.634 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2cscc2C)C1 1508127743 MVEHPDBGXIQZAA-NRFANRHFSA-N 438.597 4.619 30 10 IJEE C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1cccc(C#N)c1 1518183525 BTBMNUILFHPASD-INIZCTEOSA-N 446.956 4.694 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CCC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 1523443863 UVLNGOWBNMLEEC-UHFFFAOYSA-N 439.508 4.635 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2c(OCc3ccccc3)cccc2C(=O)OC)cc1 1530044057 CLBJNNMJDQRTSF-UHFFFAOYSA-N 431.488 4.798 30 10 IJEE C=CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)c1ccccc1 1537026692 JISVWVOHWYNICI-AZUAARDMSA-N 426.944 4.915 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1538047045 CLELHBOZTDFROC-PGRDOPGGSA-N 427.342 4.775 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)c2)s1 1538704974 FYIBDSCUFWBESH-OYRHEFFESA-N 445.544 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)OCC 1538970605 CVUQMGNEGLAUFC-MSOLQXFVSA-N 432.996 4.961 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ccncc1Cl 1538977242 UNXXPKXZJOBOQL-HNNXBMFYSA-N 448.983 4.932 30 10 IJEE C#CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1539086573 JABASYKVUXSMMC-PWRODBHTSA-N 445.032 4.746 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(C2CC2)CCC1 1539288929 JBNCIKMRFHWWIH-UHFFFAOYSA-N 430.596 4.942 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CC=C(C(F)(F)F)CC1 1539506478 UUPBNEORUJGSSD-UHFFFAOYSA-N 426.895 4.664 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1539534348 OTINMIGZHFFOLW-VAPDBKPJSA-N 435.616 4.629 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCN1C1CC1 1539677867 KQZYZARVINWLAA-BHDDXSALSA-N 429.653 4.616 30 10 IJEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)Cc1csc(Br)c1 1539744373 JXJMVQQEUGKCFZ-UHFFFAOYSA-N 425.396 4.599 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOCC(F)(F)C(F)F)CC1 1539836421 RFTHNBNRXBJTRT-UHFFFAOYSA-N 432.849 4.672 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](OC)C(C)(C)C1 1539975259 PWMFLPBOFIHRLT-RBUKOAKNSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1539975573 WOSPVYFIAZVMBG-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H]1CCCOC1 1539989046 NRURVHQVJVSAOT-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C(F)(F)F)cc1 1540105888 ADMTYCZJZYTZGD-SIKLNZKXSA-N 429.438 4.793 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCC[C@@H]1CCCCO1 1540121888 OFYDFLGWZZVWPG-QHCPKHFHSA-N 444.583 4.697 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1CCCNC(=O)OC(C)(C)C 1540158207 BWLWXPZCNJJJNE-UHFFFAOYSA-N 437.544 4.785 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H]1OC 1540162078 LFVLUOVQYOTRMU-LPHOPBHVSA-N 431.378 4.701 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)CC 1540192045 VPHVNCJWLVAQHU-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 1540918956 ANAHLARLHKKHPB-UHFFFAOYSA-N 439.673 4.642 30 10 IJEE Cc1ccc(-n2nc(C(=O)Nc3ccc(C#N)c(Br)c3)c3c2CCC3)c(F)c1 1544445963 IBYAGDATVYFFLO-UHFFFAOYSA-N 439.288 4.695 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 1544891673 CPGAVLWPVOYZBM-HNNXBMFYSA-N 433.763 4.914 30 10 IJEE CCCC1(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1546928877 BQTGYSOBJLRPPM-YLJYHZDGSA-N 443.979 4.771 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CC1 1554684584 DFJBDHUDOAUQRO-QFIPXVFZSA-N 441.988 4.975 30 10 IJEE C=CCC1(O)CN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)C1 1558317404 PPTNIWQQSXNVHF-UHFFFAOYSA-N 436.364 4.524 30 10 IJEE C=CCn1cc2ccc(NC(=O)CN(C(=O)OC(C)(C)C)c3cccc(OC)c3)cc2n1 1558513718 JULJRUXSEXDBFS-UHFFFAOYSA-N 436.512 4.611 30 10 IJEE C=CCNC(=O)NC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(C)cc1C 1559324347 NBOFIIIZJHVKRK-UHFFFAOYSA-N 434.565 4.568 30 10 IJEE CC(C)n1ncc(C(O)(C(F)(F)F)C(F)(F)F)c1NC(=O)c1cc(F)cc(Cl)c1 1585300524 GOJVATRVSLWYME-UHFFFAOYSA-N 447.738 4.821 30 10 IJEE COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C)c(C#N)cn2)c(OC)c1 1586236197 AWHGOCSXSRVPLG-UHFFFAOYSA-N 440.503 4.999 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(C)C)C1 1593703661 LXNQCOPLZJLJIB-MRXNPFEDSA-N 436.398 4.501 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC(=O)N(C)C)CC1 1594209146 STZURFJJUNBIDY-UHFFFAOYSA-N 436.387 4.523 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(C(N)=O)CC1 1594460842 DKPFTWQBRZMUQZ-UHFFFAOYSA-N 441.645 4.580 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1594472762 IIRVTEWVZWJLAR-SFHVURJKSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@H](C)C1CCC1 1594473702 XSCDDMYEJRXNQL-GOSISDBHSA-N 434.592 4.538 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)CC1 1594567622 PQCUOMFMKFYYQP-RUZDIDTESA-N 439.604 4.899 30 10 IJEE C=CCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C=C)CC1 1594799085 ZJIFSTJCYQYPFS-UHFFFAOYSA-N 449.368 4.842 30 10 IJEE C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1608584222 FCYWFTYYYPUJFE-CYBMUJFWSA-N 443.352 4.714 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCC2(C)C)CC1 1614311140 FPKKMFGOVZWGQC-OAQYLSRUSA-N 448.615 4.528 30 10 IJEE CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)OC)C1(C)C 1616539837 HVLASOJIJHWYTM-SFTDATJTSA-N 439.604 4.662 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cc1OCC 1620787516 BCDWGJAKSUPVTD-AWEZNQCLSA-N 448.361 4.754 30 10 IJEE C=CCOc1ccc(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)cc1OC 1624022726 IPVIWLNYYHBWDD-VLIAUNLRSA-N 434.330 4.529 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 1624859564 KRNJODXKEJPPIY-QVKFZJNVSA-N 435.442 4.881 30 10 IJEE C=CC(C)(C)CNC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 1636510770 AJYUAYFHJUOIOT-UHFFFAOYSA-N 436.581 4.575 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]1Cc1ccccc1OC)c1ccc(Br)cc1 1636563333 XCUMFJUZYXNGKV-PMACEKPBSA-N 427.342 4.549 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)C1 1643531884 CWGOWRVETCXHIU-OAHLLOKOSA-N 448.382 4.974 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C 1643583214 QISRMHYMKOAEBQ-UONOGXRCSA-N 430.467 4.692 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1644462933 UNGDAGRIZYNFDW-QFIPXVFZSA-N 441.531 4.758 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)C(=O)OC 1652014503 ZSMWBLUASBLZDX-HNNXBMFYSA-N 427.444 4.941 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1652321823 FGEPCSKHRJWXKJ-QFIPXVFZSA-N 443.385 4.950 30 10 IJEE C=CCn1c(SCc2cnnn2C)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1652386070 ZSSSOLLGTCKUNW-HNNXBMFYSA-N 428.631 4.764 30 10 IJEE C=CCOc1c(Cl)cc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1OC 1652814269 JEUSRBLOPMFBSS-UHFFFAOYSA-N 440.849 4.930 30 10 IJEE C=CCN(CCc1ccco1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 1653045689 UZSMXPCROWDYHJ-JOCHJYFZSA-N 437.927 4.934 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(C(F)F)o2)c1 1653370858 LPJUBMPEDITCGR-UHFFFAOYSA-N 434.416 4.781 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)cc1 1658516250 IZERIHQEVPEPEJ-LJQANCHMSA-N 436.339 4.809 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@@H]1CCCCN1Cc1ccccc1 1659997269 LPSBYAJGHHPWLS-GGAORHGYSA-N 425.642 4.638 30 10 IJEE COc1ccc(Br)c(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 1661200740 DHKKJKZQQCQWIQ-UHFFFAOYSA-N 444.207 4.550 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)c1ccc(C(F)(F)F)cc1 1662980802 JXXQXIYESWXOGP-GOSISDBHSA-N 439.455 4.656 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)CCOCC1 1666756512 BRZKCXRGRIWZDM-HOTGVXAUSA-N 441.494 4.566 30 10 IJEE CCO[C@@H](CCN(C)C)CNC(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 1672366869 CQSUQMBNKPTUGI-IBGZPJMESA-N 447.004 4.841 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccc(Cl)cc1F 1674036704 SYNKNHMYPFEEGE-WMZHIEFXSA-N 439.962 4.755 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 1677729962 ABRYWIKTSCFGPF-MZYLBHOOSA-N 439.600 4.792 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1678420727 KYGSKUFOPAQFIU-WMLDXEAASA-N 440.357 4.681 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C)c1ccc(Br)cc1 1680395670 POIXBNZIYXXQJN-YADHBBJMSA-N 442.401 4.579 30 10 IJEE CO[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)Cc1ccccc1 1682527697 GRTMJXIDHAJGNM-RUZDIDTESA-N 431.511 4.667 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C)c1ccc(Cl)cc1F 1683517228 SZSRIUYENUQDDO-RNODOKPDSA-N 438.305 4.866 30 10 IJEE C#Cc1cccc(CNC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 1686788571 PYYRXFZTSQYFRI-SANMLTNESA-N 443.978 4.938 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1689865417 UJEHDTZUOUYIEF-WAOWUJCRSA-N 442.579 4.684 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C[C@@H]1CCOC1)C1CC1 1689879609 BKELWZZSOJDXHB-HNNXBMFYSA-N 449.418 4.578 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1ccncc1Cl 1689946541 RXNCOAAIHCLWOM-MRXNPFEDSA-N 444.366 4.854 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC(C)(C)N1CCC[C@H](C)C1 1690211331 YUDVGRCKSZLABL-WXVAWEFUSA-N 433.644 4.566 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(CC#N)CC1 1690301870 ZXCLGXMXXFGYCL-OAQYLSRUSA-N 437.588 4.758 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccc(F)cc2)CC1 1690366006 MYJXMIOKYXHINS-VWLOTQADSA-N 442.579 4.592 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1c1cnn(C)c1 1690477869 JQMHUENHJWLCES-IBGZPJMESA-N 441.377 4.749 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@](C)(CC)O1 1690520183 MLHDCFLMJIIUDW-YWZLYKJASA-N 437.357 4.817 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@@H](C)C1 1690575857 DDBTUIZCJXNFET-HXUWFJFHSA-N 446.624 4.803 30 10 IJEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](c2cccnc2)C(C)C)c1 1693216283 HMZYQKXQYKLDEA-NFBKMPQASA-N 432.572 4.596 30 10 IJEE CC[C@H](C)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@](C)(C#N)C1)OC 1693969552 BJJKZTMVCQDEED-SWHJIRTISA-N 439.604 4.665 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1705484501 PVAGWELYXIBCGN-CABCVRRESA-N 425.989 4.686 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1705543125 WMZUQQZJJDBSOP-GOTSBHOMSA-N 433.644 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCCN1CCCC[C@@H]1C 1705670122 JGTGVAFPSJFRCE-HFZDXXHNSA-N 435.616 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCc1ccc(Cl)s1 1705671472 LLQHVXSBMCJCSH-JOCHJYFZSA-N 426.973 4.903 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCC[C@@H]1C 1705710512 NDWVMOLITBUVTM-OALUTQOASA-N 432.012 4.958 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2CCCCO2)CC1 1705771557 YTUVARICLXLGPW-OAQYLSRUSA-N 445.007 4.977 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1)c1ccccc1 1705797963 HPLVITLZDPEDRN-HUVFLSCGSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C(=O)OC)CC1 1705809349 OPZPSZIBEYTPGM-UHFFFAOYSA-N 449.020 4.970 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)Cc1cccs1 1705817429 JXTDUXPVADUFGC-UHFFFAOYSA-N 437.617 4.506 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(C)OCCc2sccc21 1705835062 ZAYJRQTWXYXURO-WAIKUNEKSA-N 442.560 4.729 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)C1CCCCC1 1705864720 KNRVQAWRIWYQCF-RCZVLFRGSA-N 442.579 4.793 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1705870308 FWDWRPNJVWHTPT-IRXDYDNUSA-N 432.515 4.929 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1705945777 ROEUWVVXEYGZBQ-HXUWFJFHSA-N 425.646 4.566 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)CN1CCCC1 1708648960 HEAVEIMESXUEON-XUZZJYLKSA-N 434.632 4.682 30 10 IJEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCOC(C)(C)C)CCCC1 1712334810 HNIDZGYQHCMDAE-UHFFFAOYSA-N 439.604 4.665 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1sc(C)nc1C 1722275757 BIFCXZNONCYDMB-INIZCTEOSA-N 430.581 4.576 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1722283449 VCJOFQNOAKNXTI-ILZDJORESA-N 439.560 4.541 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC1(N(C)C)CCCCC1 1722283710 WKXOGBBANWRJLL-OALUTQOASA-N 439.673 4.854 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1Cc1coc(-c2cccs2)n1 1722299797 SVGDNTLZHWDXKP-GOSISDBHSA-N 447.564 4.697 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1722344268 VGEWYUBZIVQGKP-AUSIDOKSSA-N 431.584 4.712 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC1(c2ccccn2)CCC1 1722345917 SRMROLPUKAXHMR-OAQYLSRUSA-N 429.568 4.621 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CC(O)(CCC)CCC 1722466803 FWGRORGSDBHLAB-NTKDMRAZSA-N 442.579 4.881 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1c(F)cccc1Cl 1722510305 SYVRULBXEMCXDH-LZJOCLMNSA-N 448.970 4.582 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 1722567328 UCOBJMGREMZRAP-FQEVSTJZSA-N 444.004 4.831 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCOCC 1722585774 JBOPSZJLUHCBSV-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1722742570 XYGQNCCXCSOJEW-HXUWFJFHSA-N 444.601 4.567 30 10 IJEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)C1CCCCC1 1730345758 HVAJSARTWNCEHL-SFHVURJKSA-N 430.556 4.674 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740542095 NZWLWSTZNIZYGL-HKARXFIJSA-N 431.987 4.706 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1cccnc1OCCCC 1740545276 LPSYMCUFCNTXRZ-LJQANCHMSA-N 440.551 4.573 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](CC(C)C)C1 1740590207 GEXFNDVGQLTGOA-HXUWFJFHSA-N 443.636 4.678 30 10 IJEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1cccs1 1740720021 OUQIUZFCNLASIO-HXUWFJFHSA-N 438.622 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)C1CC1 1740753649 MOFCVUFDFJECEW-LPHOPBHVSA-N 431.378 4.678 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1740788552 VYKHPVWXUKJDDN-LJQANCHMSA-N 440.588 4.572 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCC(C(F)(F)F)CC2)CC1 1740824627 PSIDTVFJZQIBAA-WWDZGPRUSA-N 430.515 4.527 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCCN2CCC)CC1 1740842341 VZCNQSSGFZIFIU-OAQYLSRUSA-N 441.595 4.663 30 10 IJEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740858639 WNZOQVKGUDDMOE-LJQANCHMSA-N 430.618 4.591 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740860949 VYIDRNYSCGRASB-UHFFFAOYSA-N 437.544 4.503 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1740863272 UFIJUOLPCSNGMR-UHFFFAOYSA-N 429.653 4.698 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(Cl)ccc1OC 1740878039 GGVQFDJEXZDARR-UHFFFAOYSA-N 431.993 4.898 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccnc(SCC)c1 1740893751 VJFYFZINMRHPBD-UHFFFAOYSA-N 431.569 4.513 30 10 IJEE C=CCN(C)c1nnc(CC2CCCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C 1740903178 OFKFHBDDWMVOEU-HXUWFJFHSA-N 431.625 4.813 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1Cc1cc(Br)ccc1OC 1740927775 OPBUTKRGMCFVCW-UHFFFAOYSA-N 443.345 4.844 30 10 IJEE CC(C)CC[C@](C)(O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H](C)C#N 1741495922 DLDTVIUTXCRHJU-YTZAWJCFSA-N 443.661 4.914 30 10 IJEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1744938224 AIBWPPUDAUYZHT-NHCUHLMSSA-N 434.632 4.811 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCSC1 1747617381 FGQDWYGNJYTBNZ-ACRUOGEOSA-N 439.629 4.600 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@@]1(C)C#C 1749047235 RKONRORSMPDIDG-RUZDIDTESA-N 436.625 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C(C)C)N1CCCC1 1749165911 SIBXEBVRRFSLIX-DEOSSOPVSA-N 434.632 4.804 30 10 IJEE C=C(Cl)Cn1c(N(C)[C@H](C)c2ccco2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749282336 XSLHJLRUWBLOSC-OAGGEKHMSA-N 435.956 4.592 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1749357529 TXSGKTXKIQVFEV-UHFFFAOYSA-N 439.604 4.678 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1749366578 HIMTYXOTTYXJCA-KNQAVFIVSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Br)o1 1749397356 WHFUTLYFGXVGBU-UHFFFAOYSA-N 430.350 4.997 30 10 IJEE C=CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1749406233 FDSDWBUPSQMAKC-UHFFFAOYSA-N 425.621 4.751 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1749449586 PQCFZEFTSYGGAW-PZJWPPBQSA-N 440.588 4.572 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C)C(C)C 1749558361 TXQCRYGNUOTUSQ-LEWJYISDSA-N 431.669 4.569 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCCO1 1749589851 JSVJGPWATSZQJP-BHDDXSALSA-N 442.604 4.594 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1749591016 LRBRMUXDZAXGOU-CPJSRVTESA-N 425.621 4.884 30 10 IJEE C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC#N)N1CCC[C@@H](C)C1 1752138988 CRMJIQBJLXGYHW-ZACQAIPSSA-N 432.975 4.596 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCc1sccc1C 1760098139 OWRVCDKUCPYCBK-RBUKOAKNSA-N 438.597 4.887 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C(C)C)N1CCCC1 1760103225 BACIITDOJKLDAE-PZJWPPBQSA-N 439.673 4.854 30 10 IJEE C#CCCCCn1c(C2CCCC2)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1 1760137508 SMLFWAFPAVDTOG-UHFFFAOYSA-N 443.636 4.965 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1sc(C)nc1C 1760173002 GHFVMILKEOMBLB-CQSZACIVSA-N 425.627 4.517 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C[C@@H]1CCCCO1 1760276222 XPZGXSNUXYDHEP-HKUYNNGSSA-N 444.670 4.503 30 10 IJEE C=C(Br)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccccc1F 1760313462 AUCGZKZVQLNQHT-CQSZACIVSA-N 439.239 4.513 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCC[C@H](C)C1 1760339512 LBQGTYAMEJKCQM-FCHUYYIVSA-N 434.632 4.804 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1760364562 UVHBNHUXBFUDPP-UHFFFAOYSA-N 434.569 4.588 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760385528 SOKYJZXKMLQMOP-HRAATJIYSA-N 433.394 4.661 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760412024 UYTIMTNPYGKVSA-SZPZYZBQSA-N 442.696 4.533 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC(C)(C)OC(C)(C)C1 1760412554 NSPOKMKLYWFDKT-HXUWFJFHSA-N 440.588 4.787 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1760416994 RVHDOQYHPPZOMY-WOJBJXKFSA-N 430.980 4.963 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOC2(CCCC2)C1 1760560456 WBHLJRCVYGLANN-SFHVURJKSA-N 446.592 4.626 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CCS1 1762504610 FBRNIQNYDAVUJQ-UHFFFAOYSA-N 432.597 4.566 30 10 IJEE C[C@H]1C[C@@H](C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC(F)(F)C2)C1 1762722091 DUXKJJZNQOGJIY-ZIFCJYIRSA-N 429.515 4.646 30 10 IJEE CCOCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1766186361 HLQCLIWTFDLZRG-GOSISDBHSA-N 443.567 4.750 30 10 IJEE CO[C@@](C)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1767988157 HDDBOPOQWQAFAS-PMACEKPBSA-N 438.334 4.509 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2OCCC)SC1=Nc1ccc(O)cc1C(=O)O 1772761137 XLYZBKBJFZASAD-KHSCPFDSSA-N 438.505 4.669 30 10 IJEE C=CCN(CC=C)C(=O)COc1cc2c(c3oc(=O)cc(CCCC)c13)CCC(C)(C)O2 1860282603 GZSZMNHXHMQGAO-UHFFFAOYSA-N 439.552 4.819 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccccc2Cl)cc1 1862515648 DMNHNKJTUFRUII-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1 1862557849 PWOZGFGMBOYLLJ-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cccc(Cl)c2)cc1 1862618135 QBVHXJJGZCOIHW-HXUWFJFHSA-N 427.928 4.598 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2c(F)cccc2Cl)cc1 1862666943 OWVKMEPQOPJYEG-ZUOKHONESA-N 431.891 4.562 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862676407 IISQVVWWOYNGEZ-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(Br)c1 1862707786 DRJBYYMQIVRXPQ-ORAYPTAESA-N 444.325 4.835 30 10 IJEE C=CCN1C(=O)C(Nc2cc(C)c(Br)cc2C)=C(c2ccc(C)cc2)C1=O 1863276255 FZBWPKYTHSDPAU-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE C=CCN1C(=O)C(N[C@@H](C)c2ccc3c(c2)CCCC3)=C(c2ccc(OCC)cc2)C1=O 1863568780 PKWYLJLYXSYUDO-SFHVURJKSA-N 430.548 4.581 30 10 IJEE CC(=O)N1CCCc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)c3cccc(C)c3)ccc21 1865992483 GTANPSHRLNFAII-UHFFFAOYSA-N 437.499 4.649 30 10 IJEE CCCC[C@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)Nc1cccc(C#N)c1 1866602779 VKUXLLSLTNQNTR-QFIPXVFZSA-N 435.572 4.507 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2)n1 1867971438 DNFDVTZHEBDXQF-UHFFFAOYSA-N 441.579 4.657 30 10 IJEE CC(=O)Nc1cccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)c1 1870149321 QBAGXHGNURNZNT-UHFFFAOYSA-N 430.512 4.596 30 10 IJEE N#Cc1nnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1NC(=O)c1cccc(Cl)c1 1870159395 MYACPPJBPOJZEN-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C=CCOc1cn(CCCOCC)c(CSc2ccc(Br)cc2)cc1=O 1870244582 XKZGTUKPODTTMZ-UHFFFAOYSA-N 438.387 4.895 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cc(=O)oc3ccc(C)cc23)cn1CCCC 1870766906 LTOLOJKMCRBXHB-UHFFFAOYSA-N 448.563 4.816 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3c(ccc(OCCOc4ccccc4)c3C)C2=O)cc1 1871397324 MUCBLVCYXPNYGX-KQWNVCNZSA-N 430.456 4.856 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1)S(=O)(=O)CCC 1872016609 SUAVZBGYNGSHRC-QFIPXVFZSA-N 428.598 4.892 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1)C(C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872127870 WRLWWPGERFDELR-IBGZPJMESA-N 441.380 4.833 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)C1CC1 1872290859 SSTYJPMMTINNNN-XMMPIXPASA-N 440.609 4.755 30 10 IJEE C=CCN1C(=O)C(NCc2cccc(C(F)(F)F)c2)=C(c2c(C)cc(C)cc2C)C1=O 1873115060 ZWZJUJZENHKKMK-UHFFFAOYSA-N 428.454 4.686 30 10 IJEE C=CCNC(=O)c1c(NC(=O)c2ccc3cc(Cl)ccc3n2)sc2c1CCCC2 1873441524 YHYUYWBPDVEFSY-UHFFFAOYSA-N 425.941 4.997 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)N[C@@H](C)c3ccc(OC)cc3)c(=O)oc2c1C 1873937552 NFBAPRBVHUZGDJ-SFHVURJKSA-N 435.520 4.793 30 10 IJEE CCSc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)OC)cc1 1874270749 MGUYUHFNBIJKDX-PCLIKHOPSA-N 430.533 4.803 30 10 IJEE C=C(C)CSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874395486 NQSCDRVELNQKNR-ANDSAHIGSA-N 438.553 4.703 30 10 IJEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874400131 JIFRIBQAIAWTDZ-QKIXXSFTSA-N 426.542 4.537 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(F)cc3)nnc2C(C)(C)C)cc1 1874483146 GWQNQIXTVFSVGN-AFUMVMLFSA-N 439.560 4.890 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCC2)n1/N=C/c1cccc(OCC)c1 1874497752 YLIXLTKCGJOAIV-LFVJCYFKSA-N 443.617 4.567 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1ccccc1F 1874510528 RVZHACHRDJZAHS-ZMOGYAJESA-N 425.533 4.716 30 10 IJEE COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)ccc1OCC(=O)NCc1ccccc1 1874619426 ACQATQJDADIBBM-ZRDIBKRKSA-N 445.515 4.604 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)ccc1OCC(=O)OCC(C)C 1874623810 WIHXNTHDLGPUCB-RMKNXTFCSA-N 430.472 4.707 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1874627021 IAMBLJNCKULTGR-CSKARUKUSA-N 439.552 4.937 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OCCO)c(Br)c2)c1 1874630582 JCCWLEPGCUJIRP-VMPITWQZSA-N 435.314 4.514 30 10 IJEE COCCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1875134324 XBADGLMJMSTIKL-SOFGYWHQSA-N 447.325 4.913 30 10 IJEE C#CC[C@H](C[C@H](NC)c1cc(I)ccc1Br)C1CC1 1887489055 LHVRXTWZCOTQHB-WBMJQRKESA-N 432.143 4.754 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1934662725 AXEMPORXQISTGA-AXHZCLLHSA-N 427.545 4.715 30 10 IJEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1OC 1945793755 DKXYSYCATVHVGK-AEFFLSMTSA-N 433.549 4.880 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]2CN(c3cc(Br)c(C#N)cc3F)CC[C@@H]21 1965590653 QOCQHHOYERNXHG-GUYCJALGSA-N 438.341 4.686 30 10 IJEE CCc1nn([C@@H](c2ccc(OC)cc2C)C2(C)CC2)c(I)c1C#N 2079845672 ULDMPWLBPXRCJN-KRWDZBQOSA-N 435.309 4.628 30 10 IJEE CC(C)Oc1ccc([C@@H](C)n2nc(C(F)F)c(C#N)c2I)cc1 2080068533 DNVKAYAKDHPWKS-SNVBAGLBSA-N 431.224 4.693 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(-c2ccc(C(F)(F)F)c(F)c2)c1Br 2080185627 SKDUODQDNCXKQD-UHFFFAOYSA-N 435.093 4.598 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(Br)ccc1F 2089284626 VYOJWQFCFBGRAH-QZTJIDSGSA-N 427.358 4.936 30 10 IJEE CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cnc1C#N 2174716534 ROXFOKZWQSPTAR-UHFFFAOYSA-N 437.382 4.578 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@]1(C)C(=O)Nc1ccc(Br)cc1C#N 2181043465 BFVWKMJXRFSJSJ-OXJNMPFZSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@@H](O)C#Cc1ccc(Cl)cc1 2212470444 YVGHAGAGFHBUEA-VXKWHMMOSA-N 429.944 4.553 30 10 IJEE CSCC1(NC(=O)OC(C)(C)C)CC(Nc2ccc(Br)c(C#N)c2)C1 2223022077 MSPDSXIFPFNUPS-UHFFFAOYSA-N 426.380 4.522 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]([C@H](O)C#Cc3ccccc3Br)(C2)C1 2235740348 OEJSFXTXUPMZDO-DKZVUGQWSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]12C[C@H]1CCCN2C(=O)OC(C)(C)C 2235745987 GRQQLIUIUHFDSE-SFGWALBWSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2255605194 KLCZNOFUOYNJGJ-CALCHBBNSA-N 430.354 4.522 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2255617574 WAZOXFSICNKSMK-NSKBAKJYSA-N 427.394 4.701 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N(Cc2ccccc2)CC2CCC2)c1 2267532117 AIYCJEPSZFRGBL-UHFFFAOYSA-N 437.364 4.876 30 10 IJEE CC(C)(C)OC(=O)NC1(c2ccccc2NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2267566085 WKYOKPMUXCCOKA-NVXWUHKLSA-N 442.365 4.621 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)c1 2268639915 SNLLWDSBAKVRSB-IBGZPJMESA-N 442.365 4.792 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1 2281836284 ZAFCKEAOIHPTCL-UHFFFAOYSA-N 449.400 4.970 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2289685161 RIAATCDYQSMVQJ-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CCN[C@@H](C#Cc1cccnc1)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2295833168 MYRJGHFELHLQBI-SFHVURJKSA-N 430.346 4.893 30 10 IJEE COc1ccc([C@@H](O)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1 2296229974 OQZRLYHOERHMOT-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@]1(C)NC(=O)OC(C)(C)C 2296290774 HLJQUYQEHODPBW-KNKQGSTJSA-N 435.406 4.862 30 10 IJEE COc1cc(OC)c(C=C2SC(=Nc3cc(C)cc(C)c3)NC2=O)cc1Br 2297298414 NFMZLFLFMHDDEH-UHFFFAOYSA-N 447.354 4.975 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(N(C)C)cc2)C1=O 2297306539 QYAONVVOVFISFJ-UHFFFAOYSA-N 428.941 4.950 30 10 IJEE Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1F 2297378265 CHJHMVAOVDNMNF-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE COc1cc(C=C2C(=O)ON=C2c2ccccc2)ccc1OC(=O)c1ccccc1Cl 2297576689 KMBFNYQTLAWBOF-UHFFFAOYSA-N 433.847 4.912 30 10 IJEE N#Cc1cc(N)ccc1Sc1cc(I)ccc1Br 2316466256 WPHPXGPYUNZTHM-UHFFFAOYSA-N 431.096 4.659 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2317349724 HZZLLUPQMXDBAN-HHNLSAEISA-N 429.370 4.538 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C(F)(F)F)c1OCc1ccccc1Cl 2321915048 NFNDWLIXBOIGNK-UHFFFAOYSA-N 442.850 4.709 30 10 IJEE CCCc1ccc(OCc2nnc(S)n2N=Cc2cc(Cl)c(OC)c(OC)c2)cc1 2322156448 CXAJQKUAUCWPDE-UHFFFAOYSA-N 446.960 4.651 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cn(C)c4ccccc14)C3=O)CN(Cc1cccnc1)CO2 2322312025 QPLFYOSRXIBAAE-UHFFFAOYSA-N 437.499 4.850 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2cccc(F)c2)C3=O)cc1OC 2322748438 VWXDOAWJJOYZFY-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE CCN(CC)C(=O)COc1cc(C=CC(=O)c2cc(Cl)ccc2OC)ccc1OC 2323331922 CEOOVSJUYHBAPH-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE CCCNC(=O)COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OCC 2324521481 DLEMQKYIXSSBRH-UHFFFAOYSA-N 445.943 4.857 30 10 IJEE CCCCc1nnc(SCc2ccc(C)cc2)n1N=Cc1cc(OC)c(O)c(OC)c1 2325509564 QZORFOVDKXPTMT-UHFFFAOYSA-N 440.569 4.826 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1cccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)c1 2325722771 WTBRRDATJZPOAY-UHFFFAOYSA-N 439.370 4.754 30 10 IJEE COCCC(=O)Oc1cc(C=CC(=O)c2ccc(C)cc2)c(Br)cc1OC 2325738090 HSRQCWFEZOPRGI-UHFFFAOYSA-N 433.298 4.604 30 10 IJEE CSc1nnc(CCCOc2ccc(C(C)(C)C)cc2)n1N=Cc1ccc(O)c(O)c1 2325833095 GMUGLQHFPQVTRU-UHFFFAOYSA-N 440.569 4.603 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccc(C)c1 2325919253 GEARASLNEIUYED-QFIPXVFZSA-N 445.592 4.653 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cccc(OC)c1OC 2327540967 ORBABEJIYAAOEB-UHFFFAOYSA-N 432.933 4.522 30 10 IJEE Oc1cccc(C=Nn2c(COCc3ccccc3)nnc2SCCc2ccccc2)c1 2329349018 XZTYUIDBAYKJBD-UHFFFAOYSA-N 444.560 4.918 30 10 IJEE Cn1cc(C=C2Oc3cc(OCC(=O)NCc4cccs4)ccc3C2=O)c2ccccc21 2329920220 ILOLRDAVNPVEOZ-UHFFFAOYSA-N 444.512 4.551 30 10 IJEE CCOc1ccc(CCNC(=S)NN=Cc2ccc(Cl)cc2Cl)cc1OCC 2330431657 XXDRGUWNSDFZQT-UHFFFAOYSA-N 440.396 4.832 30 10 IJEE COc1ccc(OCC(=O)Oc2ccc(C=CC(=O)c3cccc(OC)c3)cc2OC)cc1 2330800341 YTLDKUNTPFBFOY-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(C)c2)o1 2330840960 OVXRPBJMEKPUFC-UHFFFAOYSA-N 426.542 4.729 30 10 IJEE CCOc1c(C=Nn2c(SCc3ccccc3)nnc2[C@H]2CCCO2)cccc1OC 2330954981 VOTSBBMZXCAWEK-HXUWFJFHSA-N 438.553 4.711 30 10 IJEE CCOc1cc(C=Nn2c(SCCc3ccccc3)nnc2C(F)(F)F)ccc1O 2331142771 MHXPGYLMBOGCQP-UHFFFAOYSA-N 436.459 4.618 30 10 IJEE COc1ccccc1C=Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 2331187672 NSSQLTWOBQCFFQ-UHFFFAOYSA-N 435.465 4.629 30 10 IJEE CCCOc1ccccc1C=CC(=O)Oc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 2331305649 CVRXCTGRPMXMKN-UHFFFAOYSA-N 440.499 4.896 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1N=Cc1c[nH]c2ccccc12 2331734070 CSKKZIVJCIOVID-UHFFFAOYSA-N 430.537 4.558 30 10 IJEE Cc1cccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1C 2332197290 OIWQQAWPVXKVRK-UHFFFAOYSA-N 449.514 4.987 30 10 IJEE Cc1cc(CN2CCCC[C@H](N(C)Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369732252 COVVVHFRBRNXOZ-VWLOTQADSA-N 448.460 4.781 30 10 IJEE O=C(O)c1ccc(N/C(=N\Cc2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)cc1 15782717 TXHWRYNXFDWQSX-UHFFFAOYSA-N 448.954 4.829 30 10 IJEE COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(OC)c2OC)cc1 21660443 FDZDZKXLGGKUBH-QMHKHESXSA-N 446.503 4.967 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)cc(C)c3C2=O)cc1 41291494 OPQYGZCHKUMPPV-YVNNLAQVSA-N 430.412 4.568 30 10 IJEE COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)c(OC)c1 41587159 AZQBYRROWJVMHX-MSXFZWOLSA-N 443.499 4.981 30 10 IJEE O=C(CSc1n[nH]c(NN=C2CCCC2)n1)Nc1cc(C(F)(F)F)ccc1Cl 59040466 MFRXNSFRFPMDKS-UHFFFAOYSA-N 432.859 4.550 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1ccncc1 169921080 HKYMIIBGRCTCOQ-XMMPIXPASA-N 442.515 4.957 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc(C)c2)cc1 169972536 OEWRLNNNXBWNAU-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 170054171 KWCAINBHPBTNIQ-DEOSSOPVSA-N 443.499 4.525 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@@H]1c1cccc(O)c1)c1ccc(F)cc1 170079882 MGNVBQQDDANNPJ-HXUWFJFHSA-N 425.362 4.592 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc3cccc(OC)c3o2)=C(O)C(=O)N1C1CCCC1 170126186 HJJXLMZVAPFZRM-JOCHJYFZSA-N 447.487 4.971 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccc(OC(C)C)cc2)C1=O 170141841 DEYYERYVPJRGFH-UHFFFAOYSA-N 430.426 4.871 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@@H]2c2cccnc2)cc1C 170185696 OWRVYGGAYWVLFT-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccncc2)cc1 170201320 COVRKIPOVBSZOE-FYSMJZIKSA-N 440.499 4.750 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccccc2)cc1C 170224696 XAMKKJBHUPVIAN-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)c1 170239780 QGSMTHKSQVNQQD-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1F 170253170 UBIZVDDWYOZNSM-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(O)c2)cc1Cl 170385562 IAZICMLVLIDBLN-LJQANCHMSA-N 441.892 4.899 30 10 IJEE CCCCN(CCCC)N=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 252621075 MSIGOHMKIOEONG-UHFFFAOYSA-N 442.472 4.958 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1ccc(Br)c(Cl)c1F 407157291 LMTLUSQNQLEYJV-BBRMVZONSA-N 433.749 4.809 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 503874236 ORIZGBGBGJGMBO-UHFFFAOYSA-N 439.544 4.656 30 10 IJEE C=CCn1c(CC)nnc1N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 554621476 NHSOCBFXWRXJOS-HNNXBMFYSA-N 434.384 4.642 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 584179453 ZETBEUCAYHWUKN-UHFFFAOYSA-N 439.604 4.667 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(C(=O)c1cccc(C#N)c1)c1cc(C)ccc1C 586273538 BPFHSEZJKHBNIZ-UHFFFAOYSA-N 434.517 4.528 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H](CN4CCCCCC4)C3)c2)c1 609662225 XSBWWRODGWOFKD-DEOSSOPVSA-N 431.580 4.865 30 10 IJEE CC(=O)Nc1cccc(NC(=O)[C@H](C)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 728061816 CBAVLIZWGOAMCP-KRWDZBQOSA-N 428.492 4.535 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 745058313 BVSVBNGCWXRKLK-FBIZOPLVSA-N 433.346 4.843 30 10 IJEE C#CCCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(F)cc1 758648965 KLWNENNZHPDHRL-HXUWFJFHSA-N 441.503 4.729 30 10 IJEE Cn1cc([C@H](NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 773840981 VIWFMPFTBURKPT-HSWBROFVSA-N 445.285 4.891 30 10 IJEE CC[C@H](NC(=O)[C@@H](C#N)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccccc1 787037432 QZIHCSDERIMUBD-YJBOKZPZSA-N 425.460 4.678 30 10 IJEE CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1cccc(C)c1 799214577 CVMHTNWJSZINDX-QGZVFWFLSA-N 446.370 4.738 30 10 IJEE COc1cccc(COC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1OC 805862321 UOTUJYHOXRZWRX-UHFFFAOYSA-N 428.916 4.579 30 10 IJEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 806256429 XQIHNISPFFPQIC-QFIPXVFZSA-N 429.495 4.763 30 10 IJEE C#CCOc1cccc(-c2noc([C@H]3CCO[C@@H]3c3c(C)nn(-c4ccccc4)c3C)n2)c1 809342179 MILNPGMBPWQFJO-UPVQGACJSA-N 440.503 4.796 30 10 IJEE O=C1C[C@@H](c2ccncc2)c2c(ccc3c2O/C(=C/c2ccccc2OC(F)F)C3=O)O1 1081778492 OOQLCUDDCQIQLX-ZVCOJXFSSA-N 435.382 4.740 30 10 IJEE CCOc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2CC)cc1 1084044966 QDGXVWWFQXRGAU-GOSISDBHSA-N 431.945 4.719 30 10 IJEE C#CCN(C(=O)[C@H]1Cc2ccc(Cl)cc21)[C@@H]1CCOc2ccc(Br)cc21 1126231433 PNZDKTJVHZPFLP-PKOBYXMFSA-N 430.729 4.728 30 10 IJEE CS(=O)(=O)c1c(F)cccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1129641625 CAHUHIAPKVGBSF-UHFFFAOYSA-N 429.313 4.519 30 10 IJEE N#CCCN(C(=O)CCC(=O)N1CCCc2c1cccc2C(F)(F)F)c1ccccc1 1130185438 HWICEWIPFYDSLM-UHFFFAOYSA-N 429.442 4.712 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC2)c1 1130341318 GXWAOIWSIJCGCD-UHFFFAOYSA-N 446.938 4.793 30 10 IJEE C=CCN(CCC#N)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1141409080 HAFVEWIGTCBYQO-UHFFFAOYSA-N 443.547 4.766 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(N)c(OC(F)(F)F)c1 1141989331 QETBXSQPSMKSOY-UHFFFAOYSA-N 431.208 4.747 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(c2ccc(F)cc2F)CCCC1 1154647373 RYKHDCJNNWARFB-UHFFFAOYSA-N 437.490 4.957 30 10 IJEE C#CCN(C(=O)/C=C(/C)c1ccccc1OC(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1155366975 JNHLUMIRNGQDCY-MSUUIHNZSA-N 448.510 4.553 30 10 IJEE COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2cccc(CC#N)c2)cc1OC 1188644284 GGCVDNWNECZKLU-PGRDOPGGSA-N 442.581 4.539 30 10 IJEE C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1Br 1191844829 FPSWLTZVMWYSLE-BTYIYWSLSA-N 436.394 4.884 30 10 IJEE C=C(C)[C@H](NCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1 1193574096 DFFHDPGUNUQXKK-XCLFUZPHSA-N 428.401 4.948 30 10 IJEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 1215585397 GZHHYTVRRCNBDX-SFHVURJKSA-N 434.471 4.517 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)CC1 1224085731 HJVMUJDITZCQQY-VWLOTQADSA-N 442.538 4.903 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)NCCOc2c(Cl)cc(Br)cc2Cl)CC1 1225439962 RIABZTYMEYBOSF-AULYBMBSSA-N 434.161 4.626 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)Nc1sc2c(c1C#N)CCCCCC2)C[C@H]1CCCO1 1264695336 FQZRDLZZXLFSEP-MRXNPFEDSA-N 447.601 4.633 30 10 IJEE C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CCCC1(C)C 1270793507 QTRWKYOVLGRUJA-LJQANCHMSA-N 427.010 4.577 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@@H](c1ccco1)N(C)C 1286518069 AVFJLRQDAKSLNJ-TVZXLZGTSA-N 431.584 4.708 30 10 IJEE C=C(Br)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 1286529840 ALDIHQHJIDAMPA-ZIAGYGMSSA-N 446.393 4.538 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1286535762 GDEMIDKVCNWUMM-SFHVURJKSA-N 428.334 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCCCCC1 1286551166 GPUDWAZSROXEBM-CVDCTZTESA-N 440.588 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(CCCC)nc1C 1286582692 CLCDBDVJGIXDFZ-FGZHOGPDSA-N 442.652 4.952 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(Cl)cc2)CC1 1286640020 CLELTXVVBGQXPX-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2csc(CC)n2)CC1 1286647456 GXUDVPGPNSIEHG-UHFFFAOYSA-N 437.613 4.892 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC=C(C(F)(F)F)CC1)c1ccccc1 1286679873 UOSYCWWWXMSUEZ-SFHVURJKSA-N 442.489 4.737 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1286682285 JGYPTWJGOCUQFX-UHFFFAOYSA-N 427.902 4.639 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC)(CC)C1 1286685856 VGXZBXFYNAAZSX-UHFFFAOYSA-N 430.618 4.721 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCC(F)(F)F)cc1)C1CC1 1286734888 IUXNTOQHYGSJQE-UHFFFAOYSA-N 432.446 4.991 30 10 IJEE C=C(C)C[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)cc1)C(=O)OCC 1288354316 IRAIWMXMZYNAGI-LJQANCHMSA-N 432.314 4.869 30 10 IJEE CCc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OC(C)C)CC2)s1 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440.588 4.607 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301207646 BWZLIJZCAAJPPP-UHFFFAOYSA-N 435.616 4.658 30 10 IJEE C=CCSCCn1c(N(Cc2cccc(F)c2)C[C@H]2CCCO2)nnc1C(C)(C)C 1301621162 SAXBNPZYNRDWAD-HXUWFJFHSA-N 432.609 4.820 30 10 IJEE CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)cc2)cc1 1302364580 VBPRUTWVVYOIFY-SANMLTNESA-N 425.488 4.774 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccc2c(n1)CCCC2 1303635703 CPLWCVXTQBKWOP-FQEVSTJZSA-N 428.584 4.514 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1cc(C#N)c(Br)cn1 1307071587 LAEBYKRKGLCUII-UHFFFAOYSA-N 442.342 4.532 30 10 IJEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2ccc(C#N)c(Br)c2)C1 1307207221 NNBWLEUAGMASDV-ZDUSSCGKSA-N 430.293 4.625 30 10 IJEE Cc1sc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1C1CCCCC1 1310756437 GUWWLUAHKXOLFC-LJQANCHMSA-N 437.569 4.688 30 10 IJEE C=CCN(C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)c1nc(-c2ccccc2)cs1 1351451442 RQRWGFATTMEVKL-IBGZPJMESA-N 425.460 4.801 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)cc1 1351527881 GFHWMEJSNLRCFH-UHFFFAOYSA-N 429.561 4.523 30 10 IJEE C#CCN(C(=O)c1nsc2ccccc12)[C@@H]1CCOc2ccc(Br)cc21 1353635058 PYFOMNHNVXVMER-MRXNPFEDSA-N 427.323 4.658 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 1355768286 QXWKLPPMVGPQJV-UHFFFAOYSA-N 437.540 4.614 30 10 IJEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1358920557 BMOXQHPUQPMNFE-FYYLOGMGSA-N 449.643 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCN(C(C)C)C1 1359108257 HCJZSCVPZFAVLX-OAQYLSRUSA-N 447.631 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)c1nccs1 1359109619 IQOKQJXKNQZTAX-MRXNPFEDSA-N 427.574 4.625 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1359116257 FATGUTGNRUHTQM-ZJCBTPCYSA-N 444.620 4.717 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCC(C)(C)C1 1359116533 OWMPNNXUAPEKGT-NHCUHLMSSA-N 431.669 4.721 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1359120165 MAJRWAHZMWOZBC-MSOLQXFVSA-N 429.996 4.696 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C2CCCC2)CC1 1359128950 LCHIJTCKHNUCRB-UHFFFAOYSA-N 437.632 4.555 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC(F)(F)C2)CC1 1359174913 UDTYLBFJKBIZJU-QGZVFWFLSA-N 432.515 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OC(C)C)CC1 1359184530 RNZIAPDGAFGMPP-UHFFFAOYSA-N 442.604 4.958 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1359186339 CIJDDLBGAGOMPF-GOSISDBHSA-N 437.592 4.776 30 10 IJEE C=CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1ncc(Cl)n1C 1359209573 RFRIGQFGVBOVPM-UHFFFAOYSA-N 435.963 4.791 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[C@@H]1C 1359274516 PQIMSDKUCPDPAR-UFYCRDLUSA-N 429.609 4.965 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCC1 1360057810 RVNRCLRXWPVHJP-UHFFFAOYSA-N 442.556 4.928 30 10 IJEE C=CC[C@@H](NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21)c1ccncc1 1444204994 IILSRWYWWWEXGL-QGZVFWFLSA-N 431.462 4.711 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](CCc1ccccc1)C(F)F 1454466931 GJVWZIVUNWJOTH-IAGOWNOFSA-N 430.923 4.747 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)(C)F 1454555828 MNMQDNATMDWPSP-OAQYLSRUSA-N 444.934 4.901 30 10 IJEE C=CC1CCN(C(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)CC1 1456373180 IWBVHFNBLUOLAV-UHFFFAOYSA-N 448.592 4.768 30 10 IJEE Cc1c(Br)cc(C#N)c(=O)n1Cc1ccc(OCc2ccc(F)cc2)cc1 1459024728 BEBADLFMFSPMFO-UHFFFAOYSA-N 427.273 4.557 30 10 IJEE C=CC[C@@H]1N(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CCCC1(C)C 1460028911 JVEYWUBWUGXVDW-FQEVSTJZSA-N 439.522 4.547 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCC1(Cc2ccc(Br)cc2)CC1 1465779920 YXFBBXCOFFPTPZ-UHFFFAOYSA-N 431.305 4.745 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]1c1ccc(OC)cn1 1466817170 WSFDOWPPERLTLL-SFHVURJKSA-N 432.318 4.787 30 10 IJEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 1467149118 DIAYHJMKMHVONJ-SFHVURJKSA-N 445.336 4.867 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(Br)cc1 1468921114 QSPBQILRSHJNIL-PKOBYXMFSA-N 446.776 4.745 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2c[nH]cc2-c2cc(Br)c3c(c2)OCCO3)C1 1469920622 MWZOABTZZAHUJG-AWEZNQCLSA-N 431.330 4.644 30 10 IJEE C#C[C@@H](NC(=O)N(C[C@H](O)COc1cccc2ccccc12)C(C)C)c1ccc(F)cc1 1470657615 PDOVPQUUMQFZTN-LADGPHEKSA-N 434.511 4.513 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)c(F)cc1I)c1ccc(Cl)cc1 1476213099 PSRVTSZCHLMRMQ-CQSZACIVSA-N 446.622 4.719 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 1476224706 NMVZMACNKXFSKA-UHFFFAOYSA-N 436.405 4.980 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cnc(Cl)c(Br)c2)cc(OC)c1OC 1476381624 YATOILMEPGSGIZ-UHFFFAOYSA-N 440.725 4.565 30 10 IJEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)c2cccs2)cc1 1504304773 GCPBEAMQHXIESU-QGZVFWFLSA-N 439.585 4.501 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(C)C)C1 1507756209 HQNQBTUTUVFLJS-GOSISDBHSA-N 433.021 4.749 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1507811313 PQCQLZMKBMTRCR-RQIDZSJNSA-N 430.593 4.654 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)CC1)c1ccccc1 1507919342 CYZSJGURJWXWCU-RBBKRZOGSA-N 444.583 4.912 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1507923376 SJZURPGQCVYXFU-QGZVFWFLSA-N 436.526 4.890 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](CC)O[C@H](C)C1)c1ccccc1 1507930413 WWQNIRWXFHJLLU-HUVFLSCGSA-N 431.584 4.628 30 10 IJEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1507934625 HZMVTOGYSAXVSZ-UXHICEINSA-N 429.634 4.986 30 10 IJEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1507943673 KPYFHLSZTPDYMY-GOTSBHOMSA-N 434.588 4.581 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CC1CC(C)(C)C1 1508000439 AXANOWQLZQOPJU-UHFFFAOYSA-N 430.556 4.554 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CCCN1CCCO[C@H](C)C1 1508005269 VRTGXUXBERUXQI-JOCHJYFZSA-N 437.632 4.629 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCO[C@@H](C)C1 1508028831 WERYADRDZMJYEL-LEWJYISDSA-N 445.567 4.850 30 10 IJEE COc1ccc(OC)c(CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C(C)(C)C)c1 1525568297 HSGRWFADOCWMGM-UHFFFAOYSA-N 441.597 4.815 30 10 IJEE C#Cc1ccc(C(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nc1 1528568917 UAEPETPANCENHV-UHFFFAOYSA-N 426.907 4.542 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)cc1OC 1531130380 WCMFTRKIURQFKM-SOFGYWHQSA-N 438.505 4.683 30 10 IJEE C=C[C@H](OC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 1532388330 WJKHOTGLGITJBD-QHCPKHFHSA-N 427.566 4.654 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)cc1 1535479359 PSVGPONFPGZYOS-GOSISDBHSA-N 439.334 4.867 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1Cc1c(C)noc1C 1538971032 FEXDKIYDAPMBKA-YJBOKZPZSA-N 441.963 4.799 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(CCOCC)CCCC1 1539014385 TWWGVFSWKVCODQ-LJQANCHMSA-N 429.008 4.967 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1539053297 OSZYKZVGFSDUQR-IPJJNNNSSA-N 442.991 4.880 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1539378071 RWRQIWCNHQFCDP-UHFFFAOYSA-N 445.489 4.557 30 10 IJEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1539510108 FDZVIECYXGTNBY-GOSISDBHSA-N 437.613 4.577 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1539846730 VJJHQJPBQVTDAQ-RLWLMLJZSA-N 437.632 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CCCO)CC1 1539925871 FAEVXYHHELPCTH-UHFFFAOYSA-N 435.616 4.872 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540147973 YCGLFNRPKJOKEM-ACDBMABISA-N 437.613 4.722 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C)C1)C(C)C 1540151128 DHDJTDNIVMZVKO-HYBUGGRVSA-N 432.616 4.971 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCC[C@H](C)C1 1540164939 YQTOILKLKLJYIE-FQEVSTJZSA-N 432.572 4.510 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCCc1ccccc1 1540861396 PDMJXJGHXVSZOL-NRFANRHFSA-N 439.604 4.995 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@@H](C(C)C)C2)cc1 1540878244 SAWHQWMIPQCVTR-HSZRJFAPSA-N 449.624 4.839 30 10 IJEE CC[C@@H](c1ccccc1)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)CC 1545743314 HQVOSHBBHYKHKX-NRFANRHFSA-N 444.583 4.791 30 10 IJEE CS[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1555856877 GYTJMHYGJMVRNI-WMZHIEFXSA-N 429.609 4.673 30 10 IJEE CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)COc1ccc(C#N)c(OC)c1 1559404636 BEOYHGKDNBIVHP-UHFFFAOYSA-N 430.504 4.573 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCC3(CCCCC3)C2)cc1 1559528333 AKYNWSFRDJINSK-UHFFFAOYSA-N 434.584 4.959 30 10 IJEE C=C(Br)CN1C[C@@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1560167858 USMXGMDCZSUELB-SJORKVTESA-N 437.378 4.525 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc([C@H](C)CC(N)=O)cc2)cc1OC 1560602085 ZVVRLJWRUNNTQO-CQSZACIVSA-N 433.346 4.614 30 10 IJEE C#C[C@@H](NCc1cn(-c2cccc(Cl)c2Cl)nn1)c1ccc(Br)cc1 1560855116 QLXAHVQZEZLCNP-MRXNPFEDSA-N 436.140 4.801 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 1562368850 DBNWZOLWYKBLMG-GUYCJALGSA-N 446.935 4.800 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 1564674813 BUIIZRGRONIDLP-UYAOXDASSA-N 435.406 4.975 30 10 IJEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(CSC2CCOCC2)c1 1565704237 CAIHBUQZYWGAAT-UHFFFAOYSA-N 437.565 4.718 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2O)n1 1566826045 BETXIRIOAQGHSF-UHFFFAOYSA-N 428.879 4.946 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC 1569724889 IPWIWQZTMJXTAJ-HKUYNNGSSA-N 426.586 4.535 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)c1ccc(Cl)cc1F 1584727632 SYUIXGUSPVREAC-HWPZZCPQSA-N 428.660 4.639 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(Br)ccc1OC(F)F)c1ccccc1 1586031752 QFCLNQPGQJSXTH-VWLOTQADSA-N 430.270 4.904 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C2(CCCCC2)C1 1586054154 FRLFQDVPBRUBFB-OAQYLSRUSA-N 425.573 4.541 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1587621544 WRNVYSHPDNODDN-QHAWAJNXSA-N 432.616 4.642 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2cc(C)ccc21 1587898722 UUJIKHJMTVVMPI-NRFANRHFSA-N 435.572 4.766 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)Cc1cccs1 1588083188 BQYPDLGADJOCFJ-MOPGFXCFSA-N 436.556 4.570 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC2(CCC2)C1 1589006804 INCIRGUQBNLIGK-UHFFFAOYSA-N 445.430 4.763 30 10 IJEE C=C(C)CN(CC)c1nnc(CC2CCCC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1589675621 GHUFEECRESRYJD-IBGZPJMESA-N 433.641 4.916 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC=C(C)C1 1593704172 QTTHVFHICLJONF-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)c2c(C)noc2C)CC1 1594023297 HTABUVLPFJNAIW-ZDUSSCGKSA-N 445.365 4.601 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1594661468 UGWFDOXGMMQRTC-KCZVDYSFSA-N 440.636 4.671 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnn(C)c1 1595165092 AADFPHRUZPJCBW-UHFFFAOYSA-N 448.596 4.510 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nc(C)c(C)s1 1595185101 NTPWZWRCEVVXEY-UHFFFAOYSA-N 431.569 4.635 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCC(C)CC1 1595260310 HYKLNWHQIXCHKZ-OAQYLSRUSA-N 427.637 4.815 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 1598090307 OFYYJZGTWZISAP-CQSZACIVSA-N 431.414 4.854 30 10 IJEE N#Cc1ccc2c(n1)CCCN2C(=O)c1ccc(COc2ccccc2Br)cc1 1611547796 HNSMKHBLPNWVNP-UHFFFAOYSA-N 448.320 4.888 30 10 IJEE C=CCN1C(=O)/C(=C\c2ccc(OCCC)cc2)S/C1=N/c1ccc(C(=O)O)c(O)c1 1614234372 LJMUILDKCUKQBK-QVAAVVQOSA-N 438.505 4.669 30 10 IJEE Cc1cccc(NC(=S)N/N=C2\Oc3ccccc3[CH][C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1614735121 KPEGSMJEVQZNNM-AYZDXIITSA-N 431.497 4.932 30 10 IJEE COc1ccccc1/C=C1/S/C(=N/N=C/c2ccc(F)cc2)N(Cc2ccco2)C1=O 1615301811 NRUHGZAGUKUFTK-IBTWPMPSSA-N 435.480 4.934 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)c1 1616516766 FCWRJSIFTNQLAU-FGTMMUONSA-N 444.984 4.640 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N 1616622664 AVSTZEQQQSLCBL-CYBMUJFWSA-N 440.411 4.570 30 10 IJEE CC(C)(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1cc(F)cc(C#N)c1 1618233617 CZXXZGRTVHFHAN-IZZNHLLZSA-N 441.550 4.759 30 10 IJEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)C1 1619682319 FEGQMZLQHJUMFD-FPOVZHCZSA-N 443.542 4.895 30 10 IJEE COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@@H]1CCCO1 1623163812 FXTDVUVSHDTHRT-ICSRJNTNSA-N 449.429 4.685 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(C)nn1[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Br)cc1 1623299523 DCGQQJQLFHHXBU-WQCNXYOZSA-N 427.346 4.811 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)C(C)C 1628248764 BDNXTUBBGCHLCR-QFIPXVFZSA-N 445.966 4.557 30 10 IJEE CCc1c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)nnn1Cc1ccc(F)cc1 1629225709 CAGXXDNBLXKRBY-UHFFFAOYSA-N 440.482 4.895 30 10 IJEE Cc1ccc(OCCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(Br)c1 1629718823 DHGMYBJMFBGZSV-UYAOXDASSA-N 427.342 4.825 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)cc(OC)c1OC 1630468970 GICMWUJHWYNXGY-UHFFFAOYSA-N 444.522 4.875 30 10 IJEE C#CC[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1630870336 ZVSBXMMZTNVQCM-SANMLTNESA-N 438.527 4.796 30 10 IJEE N#Cc1ccc(OC2CN(C(=O)[C@@H](Sc3ccc(F)cc3F)c3ccccc3)C2)cc1 1638196232 BANIZFWGGFTXRL-QHCPKHFHSA-N 436.483 4.960 30 10 IJEE C=CCn1c(SCc2nc(C(C)C)n[nH]2)nc2scc(-c3cccs3)c2c1=O 1643395451 ACBWTWLUTYQJTL-UHFFFAOYSA-N 429.596 4.906 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCCC[C@@H]3[C@H](O)c3ccccc3)c2)c1 1644024665 BCJFUEHUTQYIFX-CLJLJLNGSA-N 426.516 4.866 30 10 IJEE N#Cc1cc(Br)cnc1N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 1650729372 FSNQLKRGLWRYFE-UHFFFAOYSA-N 448.324 4.922 30 10 IJEE C=C(C)c1cccc(NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 1653376421 KMKAQTLUGAOAGZ-RUZDIDTESA-N 442.515 4.558 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc(SC(F)(F)F)cc1 1655301016 CHYDRGQJLFBDAY-UHFFFAOYSA-N 433.521 4.843 30 10 IJEE C#CCOc1ccc(Br)cc1CNCC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 1657580289 VGSLLAMGARHZRM-CTNGQTDRSA-N 441.413 4.851 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cn(CCCC)nc1C)c1ccc(C(F)(F)F)cc1 1668176555 LAVCHKWMXOTQPM-SFHVURJKSA-N 429.508 4.996 30 10 IJEE CC[C@@H](COCC(F)(F)F)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1668189254 HDMLSDVNMBPNEE-SFHVURJKSA-N 435.446 4.811 30 10 IJEE C#CC[C@H](NC(=O)N1C[C@H](CC)N(C(=O)OCc2ccccc2)C[C@@H]1CC)c1ccccc1 1670716636 QCKZMJXBCADNKY-SDHOMARFSA-N 447.579 4.972 30 10 IJEE CC(C)(C)c1cc(NC(=O)N[C@@H](CCCO)c2ccccc2)n(-c2ccc(C#N)cc2)n1 1671278686 BYEZTNFPEQZXAP-NRFANRHFSA-N 431.540 4.677 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1 1671954289 ADQCFDSMHMWAJL-HXUWFJFHSA-N 446.532 4.952 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 1673376556 MFQGJYVYTWWUTP-GOSISDBHSA-N 433.474 4.851 30 10 IJEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCCc2ccccc21 1675037951 LNEVBCLPHSVJRW-UGKGYDQZSA-N 425.935 4.780 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CSc2ccc(Br)cc21)C(C)C 1675963793 IAWQASQXRNNAOP-ZWKOTPCHSA-N 438.435 4.594 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NC1(c2ccccc2Br)CCC1)C(C)C 1675963843 ISTXQOWFGPOKKT-FQEVSTJZSA-N 434.422 4.826 30 10 IJEE CCOc1cc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)ccc1OC(F)F 1676977435 FMVRYQNENBNJND-UHFFFAOYSA-N 445.344 4.779 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCCc1ccc(I)s1 1678057013 PDCYDMNQRYMDQD-UHFFFAOYSA-N 432.371 4.673 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCc2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 1680634003 WHLBIQXOOWWQHB-PMACEKPBSA-N 431.458 4.965 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccc(F)cc1 1683498871 XKYVLLCFXVVXAY-RBUKOAKNSA-N 425.262 4.729 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1689938811 XEEXSTQGZRIZDK-FQEVSTJZSA-N 449.624 4.982 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CCCCC=C 1690006702 XSWORJKEIHSGNN-UHFFFAOYSA-N 431.765 4.790 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1cn(CCCCC)nc1C 1690040887 RUVPOLNFHYWYDI-UHFFFAOYSA-N 449.002 4.805 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCCCC1(F)F 1690043066 NZCTXGDSQNFLHV-IBGZPJMESA-N 435.522 4.725 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC(C)(C)C1 1690058747 AIKLSFKPTMTHFI-IBGZPJMESA-N 444.023 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccoc1C 1690253480 RBJGFWOFDZJCBQ-CVDCTZTESA-N 440.519 4.515 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC1COC(C)(C)OC1 1690328544 MGHCHRCCRMPXHT-SFHVURJKSA-N 448.995 4.623 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](CC)C1 1690330393 FWUQRLMGGIRPEA-FQEVSTJZSA-N 425.964 4.720 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@](C)(O)C(C)C)CC1 1690398962 KOQSWDVHOHOIFH-SBUREZEXSA-N 432.996 4.881 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1690469035 BLDUDSOPOFCXJF-QRVBRYPASA-N 429.609 4.799 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1CC 1690480665 MQPDNNFJZNEOSH-RXVVDRJESA-N 434.588 4.827 30 10 IJEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1690509563 ADZINSXFTWJZMD-NQIIRXRSSA-N 437.613 4.609 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CC(C)(C)CCOC)C1CC1 1690541064 LSWVRYADCNHDPO-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCCSC)C1CC1 1690545704 WXMIHEJMMCVFGB-SFHVURJKSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC1(CC)CCOCC1 1690556377 VHDHVCZHJDBGGI-UHFFFAOYSA-N 447.583 4.748 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1csc([C@@H](C)OC)n1 1690575838 CHVXSWPOLVHLLU-OAHLLOKOSA-N 440.598 4.740 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@](C)(O)c1ccco1 1690580068 YXLNFCBXOMBPRD-JOCHJYFZSA-N 440.594 4.685 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(CC)CC2)C1 1690690053 QFCZENDNOOIDKX-CQSZACIVSA-N 437.407 4.741 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC1CC(F)(F)C1 1692346271 ADMNFWDWRIYSJI-HXUWFJFHSA-N 445.514 4.602 30 10 IJEE CCSc1cc(Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)ccn1 1696531831 GEOWKXWACMYGCI-UHFFFAOYSA-N 432.597 4.999 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705537486 HKTRZSDGBAIDSM-YLJYHZDGSA-N 431.005 4.643 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 1705615741 GSPAUZXJPMGOAQ-LADGPHEKSA-N 434.609 4.866 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1cscn1 1705654801 TZTYKODRFFDYGL-UHFFFAOYSA-N 425.627 4.702 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC[S@@](=O)C(C)(C)C 1705712475 VBQBZIFOFVQPLN-GDLZYMKVSA-N 439.025 4.557 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](CC(C)C)N(C)C)CC1 1705765593 UCGUSQUQQUBWNF-IBGZPJMESA-N 432.012 4.740 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(=O)N(CC)CC)cc2)CC1 1705780601 SUWNLBFMGWRMPG-UHFFFAOYSA-N 435.616 4.868 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCc2nnc(C)s2)CC1 1705785514 KXOOASMBFVYVNV-UHFFFAOYSA-N 440.642 4.684 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705815532 ZLUCJYIEMXJTBQ-NHCUHLMSSA-N 440.588 4.714 30 10 IJEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1705820866 BUGZJNGSMFNJRZ-NRFANRHFSA-N 441.938 4.601 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCSC(C)C)C1CC1 1705854646 MPROSZHZBMONRC-UHFFFAOYSA-N 449.665 4.689 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccc(OCC(F)(F)F)cc1 1705872541 BGMMMICHZRELKA-UHFFFAOYSA-N 429.446 4.508 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@@]1(C)OCCc2sccc21 1706461440 AABXKJPPSZBERZ-HSZRJFAPSA-N 438.601 4.589 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCCC2)n1C[C@](C)(O)c1ccc(F)cc1 1706461459 BFMPYLRZSUGMBL-DEOSSOPVSA-N 427.568 4.749 30 10 IJEE C#CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722338127 MCBPOEQEZSFLMZ-FGZHOGPDSA-N 436.600 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1csc(CC)n1 1722389928 MZTTWPYDSFWHDL-QGZVFWFLSA-N 449.649 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(C(C)(C)C)n1C[C@H](c1ccccc1OC)N1CCCC1 1722499463 JFBUFTGEFHCFRT-OAQYLSRUSA-N 425.621 4.824 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C)c1ccccc1 1722597429 SMLJOOLNABTLNX-RTWAWAEBSA-N 433.604 4.697 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722605743 QKYWZIUWUUYSJS-UHFFFAOYSA-N 427.637 4.596 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(Cl)c1 1722619699 HYZLTCNLFOGFSG-UHFFFAOYSA-N 429.977 4.526 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCN1CCC)C1CC1 1722645656 UYLXTKVJAJDQTC-FQEVSTJZSA-N 444.421 4.737 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)C(C)C 1722674773 FYBXHSVLXBNPFY-QHCPKHFHSA-N 446.954 4.973 30 10 IJEE C=CCn1c(N2CCC[C@H]2c2cccc(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691334 SDSZANVGSGLCML-HBMCJLEFSA-N 437.588 4.885 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1740596746 KXGVGOBUVWKGAW-NJYVYQBISA-N 441.620 4.780 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCc1csc(CC)n1 1740678614 FQIZOPINDGHREN-UHFFFAOYSA-N 425.577 4.517 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1740709448 NOGWTICHLSBNTR-ZCNNSNEGSA-N 442.604 4.940 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)o1 1740760327 IDZSBSPTUJSKAO-VQIMIIECSA-N 449.393 4.909 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1Cc1ccccc1 1740843929 TUUDXQMKSRVFDD-NRFANRHFSA-N 444.583 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740850455 GWIPIQBHNJGSRR-ROUUACIJSA-N 431.575 4.668 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc(C)s1 1740857481 OCTMZZBLRVNRBY-IEBWSBKVSA-N 432.638 4.588 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1740860370 BNYNAGOCBQBSLB-GOSISDBHSA-N 429.565 4.696 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(C)C1)C(C)C 1740925236 ASUNRFSNKUDQPV-DEOSSOPVSA-N 430.600 4.672 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1740937700 MMKMRZSYYGFZFP-HFMPRLQTSA-N 428.577 4.696 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H]2CC[C@H](SCC)C2)cc1 1740967240 AJYYDCXZCNPCRV-SJBKTWHCSA-N 442.629 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCCc1nc(C)cs1 1749072842 YXUBCOKAPUCIBY-RUZDIDTESA-N 433.625 4.843 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(Br)cs1 1749184134 HRWVFYBFNZZXKL-UHFFFAOYSA-N 428.359 4.853 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1749220846 RGOAHBYQJGQNNI-RPWUZVMVSA-N 447.583 4.537 30 10 IJEE C=C(Cn1c(N(CC)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1749247999 URZLTGBZBUWKMF-BGYRXZFFSA-N 437.588 4.751 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2c[nH]c3c(CC)cccc23)CC1 1749285218 AKAQIUDPYWUCQM-UHFFFAOYSA-N 448.615 4.639 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)cc2C(F)(F)F)CC1 1749297234 BQZHOYCSZSZBTN-LJQANCHMSA-N 436.478 4.752 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CCCN2CCCC2)CC1 1749336074 XQVMPIBYNNKSCF-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2=CCCOC2)CC1 1749347147 LCVQCAGIDTUWNS-UHFFFAOYSA-N 431.005 4.973 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749357016 GPMVNVCIEXIMFG-PKOBYXMFSA-N 444.023 4.882 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)C(=O)C1 1749357302 LTTMMHXCKCCZDM-UHFFFAOYSA-N 448.398 4.665 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(Cn2cccn2)CC1 1749359691 NMIGRDYLDWREBX-UHFFFAOYSA-N 434.588 4.669 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1749687427 RVEBLPVRPVMVSM-GOTSBHOMSA-N 447.583 4.593 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2cccnc2)C(C)C)C1 1749703454 IVYAWQVQZQTNER-DNQXCXABSA-N 447.583 4.570 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CCSC(C)C)c1 1751458483 GVAPGIUHCMMLLM-UHFFFAOYSA-N 427.618 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](CC)OC 1760297838 KJXVYTUDQOAMMQ-HRAATJIYSA-N 437.371 4.581 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCC)CC1 1760320062 RWRHFYKSHAVMAR-SMIHKQSGSA-N 449.599 4.583 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC[C@@H]1C)c1ccccc1 1760364849 DOEBBQZCBGBNBX-KSEOMHKRSA-N 438.616 4.914 30 10 IJEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2)N(CC)CC)CC1 1760390784 SPFCKHPNPRBLAT-XMMPIXPASA-N 430.600 4.503 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760413474 JLLKAEBAMAPIPB-NRFANRHFSA-N 436.579 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1760415883 NFUGIAJMDSDPIH-MRXNPFEDSA-N 449.020 4.825 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760434557 FKKIEIZBVYSMAM-QGZVFWFLSA-N 445.995 4.916 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccoc1 1760440961 UXBWMQQXSUMAGK-UHFFFAOYSA-N 429.565 4.588 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1CCC(=O)Nc1cccc(Cl)c1C 1760485891 UUVHCIKSHKICPF-UHFFFAOYSA-N 429.977 4.831 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1Cc1snnc1C 1760488033 JVLSQGRIFLYWSO-UHFFFAOYSA-N 436.610 4.526 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC2(C)C)C1 1760539234 ZITXGJXETWGFIV-SQGPQFPESA-N 430.980 4.899 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccc(C)s1 1760563225 KVKKRBKRKPBLAO-UHFFFAOYSA-N 442.610 4.642 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1760567882 PKQOXSPVGYHXAH-UHFFFAOYSA-N 449.049 4.541 30 10 IJEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)CC(C)(C)C1 1760569511 QMCIYJIMGBNRHZ-SFHVURJKSA-N 430.618 4.657 30 10 IJEE C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1)Oc1ccc(Cl)cc1 1761398426 DLJLZKIGWBBERO-HXOBKFHXSA-N 438.963 4.535 30 10 IJEE CCC1(Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1762545975 GHUCXISNUZFTCI-DEOSSOPVSA-N 437.588 4.966 30 10 IJEE COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(F)(F)CC2)CC1 1769300561 FGCFFZWKBUQLBX-UHFFFAOYSA-N 443.542 4.895 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1772543443 WIVLRSXPYVTPNQ-GOSISDBHSA-N 441.576 4.517 30 10 IJEE Cc1nnc(N=C2S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)s1 1772738286 OFWPJXJIYOQSHE-LQRSTDMYSA-N 429.527 4.691 30 10 IJEE N#Cc1ccccc1NC(=O)Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1859125818 CJHWQKFIUWVIIE-UHFFFAOYSA-N 434.839 4.553 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCSC)NC(=O)c1cccc(Br)c1 1861337612 PFEUHZGSUOJCTE-SFHVURJKSA-N 443.451 4.777 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CSCc1ccccc1)NC(=O)/C=C/c1ccc(C)cc1 1861942766 JVUXMNADANTIPZ-RFAWQRTRSA-N 434.605 4.627 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 1862558507 YHJPPVVBQMIAHW-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(Cl)c1 1862628344 YYFNVPMGAOCVBX-FQEVSTJZSA-N 427.884 4.693 30 10 IJEE CCN(CC)CCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C)cc1 1862673665 GKHYPEBVTPZWCI-QHCPKHFHSA-N 438.543 4.834 30 10 IJEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc(F)c1 1862724680 REGNVNIHBROVPZ-DEOSSOPVSA-N 444.506 4.633 30 10 IJEE Cc1ccc(C)c(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)c(F)c3F)C2=O)c1 1863037880 ALPPDHVMDIKURF-UHFFFAOYSA-N 447.416 4.989 30 10 IJEE CC(=O)c1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)c1 1863131924 RPMFOOBGTDWUEC-UHFFFAOYSA-N 446.466 4.639 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1 1868949194 MKIMAZHPHZVZML-LVXARBLLSA-N 440.534 4.972 30 10 IJEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(-c2ccccc2C)cc1 1869928144 AYAWVVJLOGMQJS-QFIPXVFZSA-N 447.560 4.508 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CC(C)(C)C)n(-c2ccc(Br)cc2)n1 1870004811 MLBOJYOQSVXRSQ-UHFFFAOYSA-N 432.366 4.583 30 10 IJEE CCCCOc1ccc(C(=O)Nc2c(C#N)nnn2Cc2c(C)cccc2C)cc1OCC 1870109940 QZDCUMLNZXGXGL-UHFFFAOYSA-N 447.539 4.645 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1 1870144542 DQHDIXDIIPPIIA-UHFFFAOYSA-N 437.931 4.824 30 10 IJEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CNc2ccc(C)c(C)c2)cc1=O 1870813294 FIFSINHRGDYYBO-RUZDIDTESA-N 447.579 4.651 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)c1 1871416260 TXMUEYAVRCVETA-UCQKPKSFSA-N 430.456 4.985 30 10 IJEE CCOCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 1871445494 BTHDCYFUKYPBOL-GRSHGNNSSA-N 437.275 4.568 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 1871459401 UBLYIZPXYJIPRZ-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE CCN(CC)C(=O)COc1cc(C)c2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O 1871460810 FZFQEVIPZCUIOU-QRVIBDJDSA-N 432.520 4.833 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871462538 SUHZDHUFTIVFGU-UCQKPKSFSA-N 448.446 4.751 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(Br)c(C)c2)[nH]c(N(C)C)n1 1871583595 ZOLACYSIEUDIRP-UHFFFAOYSA-N 435.414 4.946 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2ccccc2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871640526 DLPXRSOCNFFCAE-UHFFFAOYSA-N 428.584 4.547 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 1871871376 KBWCSKBLJALOJL-FQEVSTJZSA-N 438.952 4.709 30 10 IJEE N#Cc1ccccc1NC1=C(c2cccc(Cl)c2Cl)C(=O)N(Cc2ccccn2)C1=O 1873335503 GSOYJZKWSVPQIW-UHFFFAOYSA-N 449.297 4.652 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)cc2)cc2c(N(CC)CCc3ccncc3)ncnc21 1873664340 ZSTIXTPDTRFLBV-UHFFFAOYSA-N 440.551 4.642 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1ccc(OC)cc1 1874235714 WSQUNLNAKQUECX-ZVHZXABRSA-N 438.553 4.815 30 10 IJEE CCOc1ccc(Cc2nnc(SC)n2/N=C/c2ccc(Br)cc2)cc1 1874302460 ZWAQXCXCNIZSCV-FYJGNVAPSA-N 431.359 4.634 30 10 IJEE CCCSc1nnc([C@H](C)c2ccccc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874398804 FQKSMCAFDBDTGR-DTVDJLOLSA-N 440.569 4.840 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2ccc[nH]2)c1C 1874420994 OTXPIFMFPPYZAS-FSJBWODESA-N 436.566 4.565 30 10 IJEE CC(C)(C)Cc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874437684 NVKFONOLCFDJDA-FSJBWODESA-N 443.504 4.794 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccccc1F 1874475206 OTSFVMMSBZEBNZ-ZMOGYAJESA-N 429.496 4.512 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccc(F)cc2F)cc1 1874483836 QDUCFSVDPPYQGY-BRJLIKDPSA-N 443.523 4.775 30 10 IJEE COc1cccc(/C=N/n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2C2CCC2)c1 1874494322 WGHFBSLKZQOMDN-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C(C)C)n1/N=C/c1ccccc1OC(C)C 1874514648 DTZZORUAFLYXBO-BUVRLJJBSA-N 445.633 4.812 30 10 IJEE COc1cc(OC)c(OC)cc1/C=N/n1cnnc1SCc1cccc2ccccc12 1874539811 ZBYQBZFQLDFGGT-DHRITJCHSA-N 434.521 4.632 30 10 IJEE COc1cc(C)c(C(=O)/C=C/c2ccc(OC)c(OCCCO)c2Br)cc1C 1874600102 SWIXEMOBKZKDSF-SOFGYWHQSA-N 449.341 4.740 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc(Br)c1OCCCO 1874611372 KILRZJNXGWWFEZ-MDZDMXLPSA-N 435.314 4.514 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 1874697941 RWGZMOZRQCQVNA-NTUHNPAUSA-N 432.472 4.757 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(OC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 1874734416 YDZHRWAUVNBEFU-SFHVURJKSA-N 427.928 4.960 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 1875117793 NFPAAFKNIMJAQK-ONNFQVAWSA-N 430.254 4.959 30 10 IJEE N#C[C@@H](C(=O)c1cc(I)ccc1Br)c1ccsc1 2035110420 JKWYSSRYCNNJIV-LLVKDONJSA-N 432.080 4.605 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1)c1cccc(Br)c1 2072712727 OLYDHDTWOPJWLA-HXUWFJFHSA-N 449.304 4.623 30 10 IJEE CCc1nn([C@H](C)c2ccc(C(F)(F)F)cc2F)c(I)c1C#N 2079875624 WYLHFCIYPXCVEG-MRVPVSSYSA-N 437.178 4.689 30 10 IJEE CC(C)[C@H](C)N(Cc1ccccc1)c1ccnc2cc(B3OC(C)(C)C(C)(C)O3)cnc12 2116148252 NNOBIAXLEGCPFM-IBGZPJMESA-N 431.389 4.980 30 10 IJEE C=C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)c(F)c1F)NCCC 2126710854 KUFYMGWNYNPNRS-CABCVRRESA-N 433.337 4.717 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(F)cc(Br)c1)NCCC 2145527836 CNCAMRJLUVGMHG-OALUTQOASA-N 441.385 4.806 30 10 IJEE C=CCC1(NC(=O)c2cccc(Br)c2C)CCN(C(=O)OC(C)(C)C)CC1 2174762296 ZCAPSTOTTWNZIU-UHFFFAOYSA-N 437.378 4.833 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1c1cc(Br)c(C#N)cc1F 2174768530 UCCWGHZJWRAAGS-JDFRZJQESA-N 438.341 4.732 30 10 IJEE Cc1cnc(Oc2ccc(CNC(=O)OC(C)(C)C)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2232301567 HZYGWZJLIXWVKE-UHFFFAOYSA-N 440.349 4.506 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1[C@H](O)C#Cc1ccccc1Br 2235725654 DOGCJIDFPGZCCB-MJGOQNOKSA-N 448.382 4.758 30 10 IJEE CC1(C)OB(c2ccc(O)c(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)OC1(C)C 2241491559 UISSFXGLXAFCIZ-UHFFFAOYSA-N 443.352 4.534 30 10 IJEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(F)F)c1C 2247832562 QSVKMMULNPTINN-UHFFFAOYSA-N 435.345 4.572 30 10 IJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2248474177 OCOFRBJICKGDEZ-DHIUTWEWSA-N 427.633 4.596 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCC(=O)O)CN(Cc2ccccc2)C2(CCCC2)C1 2261981938 GUTDWCQHHAKSRB-HHHXNRCGSA-N 435.564 4.818 30 10 IJEE C#CC12CC(CCN1C(=O)c1cc(NC(=O)OC(C)(C)C)c(C)cc1Br)C2 2288917376 IKCOOOFYKQFOGS-UHFFFAOYSA-N 433.346 4.732 30 10 IJEE CC(C)(C)OC(=O)N1CC2(CCCC2)C[C@H]1C(=O)C#Cc1cccc(Br)c1 2296219568 PNHCWDTWMILHPW-SFHVURJKSA-N 432.358 4.940 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CCCC1 2296290719 GTVCGVPSLNVDDG-VQTJNVASSA-N 435.406 4.862 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 2296603196 AAYHEUJSSQTUAT-INIZCTEOSA-N 435.288 4.978 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2301432959 CJDKQFLDPVATQR-MLDBQTBOSA-N 428.617 4.903 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C2CC2)C1 2305326185 SXWFXJCXSLHOMQ-SQJMNOBHSA-N 428.573 4.698 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)C1(NC(=O)OC(C)(C)C)CCOCC1 2318697417 AXTDUADBLQVJFG-IBGZPJMESA-N 445.560 4.703 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC)n1N=Cc1ccc(Cl)cc1 2320941182 DQDJAZLCUXZJBT-UHFFFAOYSA-N 427.961 4.669 30 10 IJEE COc1cccc2cc(C(=O)Oc3cc(C)c4c(c3)OC(=Cc3cccnc3)C4=O)oc12 2322860315 FYMSKVIDGXDFCT-UHFFFAOYSA-N 427.412 4.980 30 10 IJEE CCOc1c(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1Br 2322969149 CAXDJNMAVJUOQY-UHFFFAOYSA-N 443.095 4.965 30 10 IJEE COc1cccc(C=C2Oc3c(ccc(OC(=O)COc4ccccc4OC)c3C)C2=O)c1 2323120255 LCLRTLYLQQYAGT-UHFFFAOYSA-N 446.455 4.613 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cccc(OC(C)=O)c3)cc(C)c2C1=O 2323896827 CHQGOTAKMCNEAH-UHFFFAOYSA-N 444.439 4.764 30 10 IJEE CCOC(COc1ccc2c(c1)OC(=Cc1ccc(N(CC)CC)cc1)C2=O)OCC 2324741723 XEGJVPRFVUVRBI-UHFFFAOYSA-N 425.525 4.927 30 10 IJEE COC(=O)c1cccc(COc2ccc3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)c1 2324745133 SJPDWZYRAMCXSI-UHFFFAOYSA-N 446.455 4.686 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3cc(OCCN4CCCCC4)cc(C)c3C1=O)cn2C 2325701436 LYFJLDJKMFOLHC-UHFFFAOYSA-N 446.547 4.976 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1N=Cc1ccccc1[N+](=O)[O-] 2326684290 ZIYYSSDYFQUDLT-UHFFFAOYSA-N 441.513 4.548 30 10 IJEE OCCCSc1nnc(COc2ccccc2Cl)n1N=Cc1ccc(Cl)cc1 2327683484 XWBXSWRGWHKOJN-UHFFFAOYSA-N 437.352 4.521 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3)n2N=Cc2ccccc2O)cc1 2329277889 OAWYZVDTQDARIM-UHFFFAOYSA-N 430.533 4.758 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] 2330621974 UGLIPXROXQCQQQ-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)c1 2331381141 NWIFHBHOEKPONQ-UHFFFAOYSA-N 446.455 4.744 30 10 IJEE COCc1nnc(SCc2ccccc2F)n1N=Cc1cccc(Br)c1 2331577724 GBOKTVWYDYPULL-UHFFFAOYSA-N 435.322 4.501 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(C)C)n2N=Cc2ccc(Cl)cc2)o1 2331695814 GHRMSBLEIFYEFX-UHFFFAOYSA-N 432.933 4.999 30 10 IJEE C[C@@H]1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339536609 MLFMCVFSNHMANV-IYPOZPNPSA-N 443.397 4.562 30 10 IJEE CN(c1c(Br)cccc1C#N)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2365496333 DBDMJALABMZAJX-FKEKPDDDSA-N 434.378 4.793 30 10 IJEE CC#CCCC[C@H](NCCC)[C@@H](O)c1sc(Cl)cc1I 2366647318 FQUTWOYEARUOCG-GXTWGEPZSA-N 425.763 4.601 30 10 IJEE COCc1ccc(CN[C@H](C#N)c2cc(Br)c(Br)s2)s1 2368032278 PTUHLFZNCKDFOT-LLVKDONJSA-N 436.194 4.835 30 10 IJEE C=CC[C@](C)(CNC(=O)OC(C)(C)C)COc1nc2ccccc2nc1Br 2381309978 OMQSBIBLRYVYSQ-HXUWFJFHSA-N 436.350 4.878 30 10 IJEE COc1cccc(COc2ccc3c(c2)O/C(=C/c2cc(OC)c(OC)c(OC)c2)C3=O)c1 2127113 ACHQERLWBZBUHE-SSDVNMTOSA-N 448.471 4.916 30 10 IJEE Clc1ccc(/C=N\c2ccc3c(c2)OCCOCCOCCOCCO3)c(Cl)c1 20615577 JUYOEGPECWGAAD-IWIPYMOSSA-N 440.323 4.565 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(F)cc3)ccc2O1 38256138 PYVSGFRRBFOTBX-RCDICMHDSA-N 433.435 4.521 30 10 IJEE C=CCOc1ccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCOC)cc1 39911704 HJZMINOSOTVXGC-DEOSSOPVSA-N 447.535 4.546 30 10 IJEE C=CCc1ccccc1OCCCn1c(CCCCCNC(=O)COC)nc2ccccc21 40211468 NQNTYSNQJBJHOS-UHFFFAOYSA-N 449.595 4.709 30 10 IJEE Cc1ccc(/C=C2\Oc3c(CN4CCN(c5ccccc5F)CC4)c(O)cc(C)c3C2=O)o1 41585408 OJWFTTNBULQKMU-UCQKPKSFSA-N 448.494 4.680 30 10 IJEE CCCCNC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 59466518 PVMGQXVURPNEQM-WSDLNYQXSA-N 428.341 4.532 30 10 IJEE CCc1ccc(N/C=C2\C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1 105338136 HKBQAIWLKACTTC-DEDYPNTBSA-N 442.537 4.936 30 10 IJEE CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1 169939061 WTOSMPIQMCXNIR-NRFANRHFSA-N 430.957 4.700 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccc(C)c2)c1 169966260 FWUPIYOPZWGICY-XMMPIXPASA-N 441.483 4.721 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 170131583 NWBDENVWXWLBSQ-JOCHJYFZSA-N 447.462 4.940 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(F)c2)[C@H]1c1cccs1 170155482 XCNZADNAQWGGFM-FQEVSTJZSA-N 439.464 4.687 30 10 IJEE COc1ccc(Cl)cc1NC1=C(c2ccccc2)C(=O)N(c2ccc(C#N)cc2)C1=O 170163207 UERFZYYTFJUBKZ-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)c(C)c1 170200267 HQRRGZLDQPCYOG-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1cccc(OCC)c1 170217864 ONNFRZUDDFUXAK-OAQYLSRUSA-N 427.472 4.611 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1OC 170223380 NYKKZPIZHPYHLK-JOCHJYFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2ccc(F)cc2)c(OC)c1 170238854 GDOUZXYTFIEGJE-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccccc1F 170252011 XGZPJELZFFWDFR-FQEVSTJZSA-N 443.858 4.840 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(CC)cc2)c1 170264780 KPOJWTBAAJQZDH-OAQYLSRUSA-N 443.927 4.526 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1c1ccccc1 170272038 UMPPPDLAOUUHEQ-QHCPKHFHSA-N 427.456 4.549 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@@H]1c1ccccc1C 170275913 SJMLXZNYBLKBNX-FQEVSTJZSA-N 443.927 4.580 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)o2)c1 170310443 MTZBTEXBTWAAEG-QFIPXVFZSA-N 441.524 4.770 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2Cc2cccc(C(F)(F)F)c2)o1 170424745 LBYHNJKZPGJZIX-IBGZPJMESA-N 442.393 4.780 30 10 IJEE C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(CCCOC)C2=O)cc(OC)c1O 252628379 SOROETFWHRVLEX-SNSRFIGSSA-N 438.549 4.770 30 10 IJEE Oc1c(Cl)cc(Br)cc1/C=N/c1cc(Cl)ccc1N1CCNCC1 253560053 AIJUORRNJUPKPS-LSHDLFTRSA-N 429.145 4.622 30 10 IJEE CCc1ccc([C@H]2C[C@@H](C)CCN2CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)o1 464845077 LEHCAOMMEZGDDT-HTAPYJJXSA-N 440.588 4.580 30 10 IJEE CC[C@H](CN(C)C(=O)c1cc(C#N)c(SC)nc1O)Oc1ccc(Cl)c(Cl)c1 470731512 FKKCLHJGHRGFLO-GFCCVEGCSA-N 440.352 4.617 30 10 IJEE CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)CC2 475015399 KCBZMCLLFVYTEU-IBGZPJMESA-N 428.536 4.922 30 10 IJEE N#C[C@H](NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1cccc(Br)c1 504570038 FSGJELFRKXSOQW-HNNXBMFYSA-N 434.265 4.845 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 513578683 DRUMBGAMEBSOMB-HSZRJFAPSA-N 444.453 4.500 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 549298914 OIYUANQPDQBEAF-UHFFFAOYSA-N 449.986 4.882 30 10 IJEE C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@H](OC(F)F)C1 579050228 AIXFXEZLFBJIHY-IBGZPJMESA-N 440.494 4.918 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)NC2CCC(OS(=O)(=O)c3cccs3)CC2)cc1 586507663 NRBUKPZMMYZQSJ-VGOFMYFVSA-N 433.595 4.718 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(O)nc2ccc(Br)cc12 606181329 XOMUDYBBOBWCII-UHFFFAOYSA-N 427.298 4.540 30 10 IJEE Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 609434360 XUNZNFQZCPRPOR-UHFFFAOYSA-N 444.491 4.678 30 10 IJEE CCCN[C@H](C#Cc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 705515127 SXJRQDPBZHEWBM-SDUSCBPUSA-N 436.596 4.905 30 10 IJEE CC(=O)N(CCC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)Cc1ccccc1 726329976 VYNYFMKVCIHSDG-QGZVFWFLSA-N 439.487 4.703 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)OCC(=O)Nc3ccnn3C3CCCC3)cc2)cc1 745003298 DARYKBXGBKHLLL-UHFFFAOYSA-N 444.491 4.652 30 10 IJEE Cc1cc(Br)cc(C)c1NC(=O)CCCOC(=O)/C=C\c1ccccc1C#N 781658538 KFNJAHMUYLTTRJ-KTKRTIGZSA-N 441.325 4.913 30 10 IJEE C#CCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)[C@H]1CCOc2ccc(Br)cc21 796441365 BYAAHYNOVFOOKU-IOASZLSFSA-N 430.264 4.713 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCC(CC)(CC)CC1 809922739 VYGHWKQHUXRKQK-UHFFFAOYSA-N 425.577 4.687 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C)C[C@@H]1c1ccccc1F 809926635 NWITVFHTDITHLM-PGRDOPGGSA-N 449.530 4.617 30 10 IJEE CC(=O)N(c1nc(COC(=O)[C@H](C)Oc2ccccc2C#N)cs1)c1ccc(C)cc1C 914680252 VZNSUQVERUZRBE-KRWDZBQOSA-N 449.532 4.827 30 10 IJEE C=C[C@@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 1124194633 DTTASCHLFMGDKA-FQEVSTJZSA-N 426.582 4.858 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CCCN1C(=O)OC(C)(C)C 1126105360 ZGSFJGGZSIBKEU-OSPHWJPCSA-N 432.561 4.535 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)c3cnc4ncc(Br)cc4c3)c2)s1 1126385783 ANOBEBUHBDWFBG-UHFFFAOYSA-N 449.333 4.922 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2ccccc2)nc1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003588 SRYNGXHWCVMQTN-QHCPKHFHSA-N 430.504 4.677 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1 1129277082 RTUGXOUWSOEVLS-OZXSUGGESA-N 447.506 4.501 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)ccc1Cl 1129530570 VXKYZLSFRJXQEG-FYYLOGMGSA-N 447.000 4.886 30 10 IJEE C=C[C@H](OC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)c1ccccc1 1130934137 FEZCJHQBRKDPRZ-QHCPKHFHSA-N 441.593 4.791 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 1136630068 FRUZQPGWMYPAQB-JKSUJKDBSA-N 426.344 4.924 30 10 IJEE CC(C)[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)NC(=O)OC(C)(C)C 1136743837 DFJVDZYSCCRJMR-HXUWFJFHSA-N 439.581 4.989 30 10 IJEE N#Cc1cccc(Oc2ccnc(N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)n2)c1 1162523551 HRCRCXDXUBZSAG-INIZCTEOSA-N 441.413 4.730 30 10 IJEE N#Cc1cc(Cl)ccc1SCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 1188869625 GKIUJCGKBLXNEJ-LJQANCHMSA-N 434.392 4.910 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)c1ccccc1 1224523707 WSIZARRRHQKYJJ-GHTZIAJQSA-N 431.374 4.607 30 10 IJEE Cc1nc(-c2ccc(S(=O)(=O)N3CCC(c4ccc(C#N)cc4)CC3)s2)cs1 1259980965 CWURRAXGCRDERJ-UHFFFAOYSA-N 429.592 4.620 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)c1nc(C)cs1 1286437906 NRWYPVIFVVKFGK-CQSZACIVSA-N 444.402 4.736 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)C1CCN(CCC)CC1 1286562825 TYJJKGWFNAEYGM-ZJSXRUAMSA-N 437.632 4.545 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](OC)C(C)C 1286565597 DYRBKYPKIKHWKI-SFHVURJKSA-N 439.373 4.920 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)CC1 1286569013 ZUAMVJKAPQTRPE-REWPJTCUSA-N 437.613 4.600 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCC2(C1)OCCO2 1286569453 QGCRDISYUMAFPV-MRXNPFEDSA-N 434.943 4.683 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1286649997 TYYMGOWEPYMJPY-UXHICEINSA-N 444.023 4.787 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286682185 GFWZNDQKCYRXAM-QGZVFWFLSA-N 449.958 4.809 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1286775164 KEQYSOCCFDNFDW-UHFFFAOYSA-N 426.561 4.806 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2OC)c1 1295337880 NQKJLPVPILZTDB-UHFFFAOYSA-N 435.501 4.537 30 10 IJEE CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccsc1Br 1298639334 DDHGSJLMYIVQBD-UHFFFAOYSA-N 442.386 4.925 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N(Cc1ccccc1)CC1CCOCC1 1300354018 UJQSJUXAXQXSAI-UHFFFAOYSA-N 429.568 4.577 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CCC(OC)CC1 1300564575 YLSLDUQPEGPNLE-UHFFFAOYSA-N 432.612 4.911 30 10 IJEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1300634122 UYPPHUSTZUVWDU-VXKWHMMOSA-N 446.643 4.568 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC=C(C)C 1300652855 DCUFLITUANPTQA-UHFFFAOYSA-N 431.584 4.795 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1300769402 GGDHNADSPITAKZ-OALUTQOASA-N 426.630 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCCSCC(C)C 1300805979 MSMGHGVKVOGPQO-XUZZJYLKSA-N 440.613 4.562 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC(C)(C)C 1300889519 CNQRSPRAUKOVGW-NZQKXSOJSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CCC(C)(C#N)CC1 1300896983 MMZSKUKPFHBHEI-QPPBQGQZSA-N 449.599 4.531 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC1CCOCC1 1300973294 VAFCYAHTULHXKB-UHFFFAOYSA-N 449.599 4.647 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H](C)c1nccs1 1300974264 HEXDODFQHHJFIH-INIZCTEOSA-N 431.993 4.888 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1300983043 UVOXPLUIVLUUNE-RXVVDRJESA-N 435.399 4.866 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 1301088601 BNOPILFKAKWXMT-OAQYLSRUSA-N 429.559 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 1301154656 YHXMMAPXWUAPNJ-UHFFFAOYSA-N 436.648 4.567 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1301194279 GXBKAZNQAGYOON-XLIONFOSSA-N 437.419 4.516 30 10 IJEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1301231296 GVUMOEXTNDRXJT-GCJKJVERSA-N 449.580 4.723 30 10 IJEE C=CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1 1301231773 PMDJHZVRDQWBPU-UHFFFAOYSA-N 435.359 4.500 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C)=C(C)C1 1301241118 NUTKHOSCAJUVKB-UHFFFAOYSA-N 431.378 4.847 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1nc(C)c(C)s1 1301340528 HLYLYZRJJZAJCP-UHFFFAOYSA-N 441.564 4.526 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H]2C(C)C)CCC1 1301488277 CNXRUUVYEKPWRJ-JOCHJYFZSA-N 437.588 4.560 30 10 IJEE CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C2CC2)cs1 1306577833 BQNIJSZJBFHAGA-MRXNPFEDSA-N 436.585 4.736 30 10 IJEE CO[C@](C)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)CC#N)C1CC1 1315142933 GRMKIBTYQDAVPE-WAIKUNEKSA-N 427.618 4.829 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2CC(F)(F)C2)C1 1316529692 BLTZCIYOVGFYPN-GOSISDBHSA-N 441.910 4.711 30 10 IJEE C#Cc1ccccc1CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1353533541 GVMGADWWRFFGOE-HSZRJFAPSA-N 434.992 4.841 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C)c3)cc2C1=O 1354462810 JEQZLABSRMWQAS-UHFFFAOYSA-N 442.519 4.513 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)cc1 1355318207 ZJKKOOJQNZBIPR-FQEVSTJZSA-N 448.441 4.569 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCC1CC(OCC)C1 1359073118 CXAJDTIXWUXTKN-AJEPASEPSA-N 436.600 4.671 30 10 IJEE C=C(Br)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC1CC(F)C1 1359081647 JBBACGKQSFXZKA-UHFFFAOYSA-N 432.341 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1359091772 RNTVEWXPDHLRGZ-ZNTQHIFFSA-N 426.605 4.936 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)OC1CCCC1 1359100372 ANTMOIBDAHLNHZ-XMSQKQJNSA-N 430.980 4.814 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1OC 1359102073 VZUWAOQEGCYJGA-OFNKIYASSA-N 438.597 4.557 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)CC 1359104309 ZYLPQTPIFXSAPM-AUUYWEPGSA-N 425.360 4.601 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccc2c(n1)CCCC2 1359116625 RVMHNNHPJYLRMH-UHFFFAOYSA-N 435.547 4.721 30 10 IJEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1359135239 WZRGDFBHPPCYBR-LJQANCHMSA-N 431.540 4.800 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2c(C)noc2C)CC1 1359162799 FHITULNZFRIWGO-UHFFFAOYSA-N 428.334 4.517 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1359176010 ISGMPHPRDBJKCS-MRXNPFEDSA-N 439.585 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1359176554 FOFRUYMYRMEOMZ-QFIPXVFZSA-N 436.991 4.699 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCC(Oc2ncccc2F)CC1 1359186696 QCMUNXGDJYTVGP-UHFFFAOYSA-N 436.535 4.524 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)cc2)n1Cc1nc(C(F)(F)F)cs1)C1CC1 1359253896 YFESPDYAKCIZEK-UHFFFAOYSA-N 449.502 4.844 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCSC1 1359275822 HRJIQQLOMMKRIP-QHCPKHFHSA-N 433.625 4.642 30 10 IJEE CC(C)N(CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1360128247 DTEPNCZYMJALIH-AREMUKBSSA-N 445.615 4.742 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C 1360321715 RLNHAAPMDQZFFJ-DWLFOUALSA-N 428.573 4.683 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCOC1CCCCCC1 1360480808 HHEMMZQFDNDGNJ-GOSISDBHSA-N 445.995 4.988 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(Br)cc(OC)c2)cc1 1434882647 LQHLUSOYYIANCE-UHFFFAOYSA-N 429.314 4.524 30 10 IJEE CC(=O)N1CCc2c(sc(NC(=O)c3sc4cc(C)ccc4c3Cl)c2C#N)C1 1437997831 AKUITSBJWCVCJL-UHFFFAOYSA-N 429.954 4.953 30 10 IJEE C=CCn1c(SCC(=O)Oc2cccc(OCC)c2)nnc1-c1ccc(Cl)cc1 1438121359 GWWOQADMKXVOEN-UHFFFAOYSA-N 429.929 4.881 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(C=Cc3ccccc3O2)CC1 1454114061 HBTFFXSZFGCYTB-FQEVSTJZSA-N 426.557 4.703 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 1461529150 KLPRWSCVYAXJLP-OIZRCWCJSA-N 434.652 4.981 30 10 IJEE CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(C#N)c(F)cc2F)[C@@H]1c1ccccc1OC 1462276585 CYYXRHMYOGUDTR-HXOBKFHXSA-N 441.478 4.564 30 10 IJEE C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1464203363 XCBFEDRRHSBFDJ-XUZZJYLKSA-N 444.666 4.914 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@H](c3cccc(F)c3)C2)s1 1464757359 DEAFQBYQPTUAME-INIZCTEOSA-N 426.966 4.578 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N(OC)C2CCCC2)c1 1466782206 XGFJURMOHCCFQT-UHFFFAOYSA-N 448.972 4.668 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(Oc4ccncc4)c(C)c3)n[nH]2)c1C 1467668145 PILJFBTYNFQLAB-UHFFFAOYSA-N 428.496 4.824 30 10 IJEE CN(C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1cccc(C(F)(F)F)c1 1469883820 HGOSVQZVDGTRRJ-YPAWHYETSA-N 444.501 4.789 30 10 IJEE C=CCn1c(SCc2nc3c(s2)C(C)(C)CC(C)(C)C3)nnc1-c1cnccn1 1473000947 XTRACPBUXGURET-UHFFFAOYSA-N 426.615 4.920 30 10 IJEE C=CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)[C@@H](C)COC 1478373187 PYKDWFDNLIZERU-PGRDOPGGSA-N 441.572 4.638 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@@H](OC)C(C)(C)C1 1507559111 XRSUPBWGTPBRRA-DYESRHJHSA-N 426.630 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](CC(C)C)N(C)C 1507765619 TYYKALVCAGNKFM-QYXIYQDXSA-N 441.595 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCCOC1CCCCC1 1507770718 QQTQMIOJOABBLK-RUZDIDTESA-N 442.554 4.879 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507817264 RNHYLOOWSLGUBT-MRXNPFEDSA-N 441.929 4.885 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1507882300 FKINBOMGFXHJFA-UHFFFAOYSA-N 430.600 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507912766 UOSRRUIOGAGQRH-UXHICEINSA-N 447.631 4.856 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1507913893 FLQJSJRJAVWBFC-QFIPXVFZSA-N 449.643 4.871 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(C)CC1)c1ccccc1 1507921771 YCGSLLRZBIDTRT-APKLWFBNSA-N 435.616 4.889 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCN(C(C)C)CC1)c1ccccc1 1507923968 GOSZWKFZINTKMK-QHCPKHFHSA-N 430.600 4.621 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCC1CC1 1507934425 CLHIWGGNSFLZJN-HXUWFJFHSA-N 431.625 4.985 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1507943515 ZFAZGTKRDKVWOV-ZIAGYGMSSA-N 425.396 4.597 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1C(F)(F)C12CCC2 1507973585 KOHBHRIXKSEKFK-OAHLLOKOSA-N 441.295 4.904 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)C(F)(F)F 1507999695 NUYSYEBABSGAFQ-UHFFFAOYSA-N 428.462 4.926 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCN1CC 1508015368 SRPMMFZGTNFDMD-QUCCMNQESA-N 425.646 4.794 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1CCCN1C[C@@H](C)C[C@H](C)C1 1508017907 JLOBQDONEIBESK-SFTDATJTSA-N 432.616 4.973 30 10 IJEE C=CCSCCn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 1508152393 LTULDJRVRNHUFK-GOSISDBHSA-N 438.544 4.500 30 10 IJEE C=CCOc1ccccc1CN(C(=O)COCc1ccnc(O)c1)c1ccc(C)c(C)c1 1523053344 GTBUNCYGIGFNIB-UHFFFAOYSA-N 432.520 4.719 30 10 IJEE C#CC[C@]1(C(=O)NCc2ccc(-c3csc(C)n3)s2)CCCN1C(=O)OC(C)(C)C 1523449624 OYUNVFPDPVWHJD-JOCHJYFZSA-N 445.610 4.589 30 10 IJEE Cc1c(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cnn1-c1ccc(Br)cc1 1525761561 DBAZWRQYBFPEFW-OAQYLSRUSA-N 435.325 4.622 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 1527894203 DZXXPIHRJHZBPB-QGZVFWFLSA-N 448.292 4.664 30 10 IJEE C=CCOc1ccc(COC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cc1 1528439152 UHTYAMYHOLAHAH-UHFFFAOYSA-N 431.261 4.696 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C(F)(F)F)cc1 1532569604 BLBMPOGJSGUKAR-NPPFBWRTSA-N 437.458 4.852 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Oc2c(F)cc(C#N)cc2Br)cc1OC 1533440982 CVSMFIHTTVZTSG-FNORWQNLSA-N 432.245 4.652 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 1533645231 MODSLPPGFZZTHF-HDICACEKSA-N 448.947 4.627 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3cnn(-c4cccc(Br)c4)c3C)cc2n1 1536229695 FPEBIYGRVWKOMM-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCc2ccc(SCC)cc2)nnc1-c1ccco1 1536852260 CNSRPRLTUJOHLC-UHFFFAOYSA-N 428.583 4.635 30 10 IJEE C=CCn1c(SCC(=O)N2CC[C@](C)(C(F)(F)F)C2)nnc1-c1ccc(Cl)cc1 1537116161 MMGLAKJWZJYYRY-SFHVURJKSA-N 444.910 4.678 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](c1cccnc1)C(C)C 1538975171 YKHRCYSAFGCCIQ-ZVDOUQERSA-N 435.547 4.850 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(c2ccccn2)CCC1 1538975292 ZGYQSPRPGVGZQB-RTBURBONSA-N 433.531 4.532 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C(=O)OC)CC1 1539953517 KHRYMPJBYQMVPT-UHFFFAOYSA-N 443.617 4.520 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1CCCCO1 1540128322 LBTQFXRAOIQZSS-RPWUZVMVSA-N 449.599 4.586 30 10 IJEE CCC[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 1540336358 BUUHUKWRKBAUSK-GOSISDBHSA-N 438.915 4.692 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Cc2ccccc2)C1 1540919794 WPFRRBWKVPCZEF-HXUWFJFHSA-N 439.654 4.622 30 10 IJEE CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1541101374 AUURFISPZUQGEQ-DEOSSOPVSA-N 442.515 4.829 30 10 IJEE CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1544302096 DSGSLQXXQIAQCX-DFBJGRDBSA-N 445.563 4.798 30 10 IJEE C=CC1(CC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CN(C(=O)OC(C)(C)C)C1 1556172147 PRZYOEDKPXJQTN-QGZVFWFLSA-N 438.490 4.835 30 10 IJEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 1559845770 AFJILVZXHRPGGM-SXSPYAJSSA-N 437.609 4.993 30 10 IJEE C[C@H](c1ccc(Br)cc1)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1559977778 DPLOWFPJIMQQBL-MRXNPFEDSA-N 436.357 4.594 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](C)Oc3ccccc3Br)cc21 1563315372 JTGIVDDCLFQKLX-CQSZACIVSA-N 429.318 4.574 30 10 IJEE C#C[C@H](NC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1564997240 GXVJVFYZJHGPOR-XNMUZJSGSA-N 431.964 4.586 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1[C@H](/C=C(/Cl)c2ccc(Cl)cc2)C1(C)C 1586782160 BZZZKSKZDQHJAG-CLOGXEOLSA-N 436.379 4.995 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1ccc(OC2CCCC2)nc1 1587661968 KGEOZOVNNPUFFT-OAQYLSRUSA-N 443.595 4.676 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)C(=O)OCC 1588122693 SCBLBZQMTSRVGL-KRWDZBQOSA-N 446.960 4.545 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CC(C)C)C1 1589570397 USEAHJBWLODNAH-RQTOMXEWSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCc2ccccn2)cc1 1589657921 NOJVHZLWVPFHNU-QFIPXVFZSA-N 447.583 4.597 30 10 IJEE C=C(Cl)Cn1c(N2CCC(C(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593931830 AORPTPBTOOQPJJ-HDICACEKSA-N 438.016 4.674 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC[C@@H](O)C2)CC1 1594035411 IQADGGIJLSZNGR-DOTOQJQBSA-N 449.368 4.554 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccnc(SC)c2)CC1 1594127622 BMZYHOZZAPSGJS-UHFFFAOYSA-N 441.988 4.832 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1594693173 RTXVGNSDQRYSFP-UHFFFAOYSA-N 447.583 4.764 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1594698818 XKGMETIYHUVXCC-FQEVSTJZSA-N 444.482 4.992 30 10 IJEE CCc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN(c3ccccc3C#N)CC2)s1 1613799378 HZTPRJXDYZEVNC-GOSISDBHSA-N 434.613 4.662 30 10 IJEE C=CCC1(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CCCC1 1618168019 DPKOEBJAWIPJPH-UHFFFAOYSA-N 443.525 4.779 30 10 IJEE CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1621712717 CTUKFWJKKZGTDX-QGZVFWFLSA-N 425.323 4.622 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CC2(C)C)ccc1Cl 1625156725 DKPWNXWIDQUJMJ-QGZVFWFLSA-N 447.000 4.982 30 10 IJEE Cc1cc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)c(C#N)cc1N(C)C 1625386037 DWONBGBBUPQSLZ-UHFFFAOYSA-N 427.346 4.896 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC1 1626154444 MWWCVEAYGCVFRW-HSZRJFAPSA-N 438.955 4.905 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)c1ccc(F)c(Br)c1)C(C)C 1628517183 LYUSYBUBVIWMHU-HNAYVOBHSA-N 426.374 4.647 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 1628738007 HBKAHPKOVPFZRO-XMMPIXPASA-N 447.579 4.832 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 1629966587 WYYBEOGIDAWKPK-OAQYLSRUSA-N 444.579 4.599 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)CCS1 1649594021 HSSCEWDAQCZLRD-NHCUHLMSSA-N 439.629 4.744 30 10 IJEE C=C(C)[C@@H](CC(=O)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1)OCC 1651014194 JUTGVXZUJVLJOX-XMMPIXPASA-N 442.987 4.939 30 10 IJEE C#CCCCCCCSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 1651589568 ROZMFBBADHLNOF-UHFFFAOYSA-N 433.599 4.587 30 10 IJEE Cc1ccc(NC(=O)Nc2cccc3c2CCN(CC(=O)Nc2cccc(C#N)c2)C3)cc1 1652449057 HIFZRQSBGFCRON-UHFFFAOYSA-N 439.519 4.508 30 10 IJEE C=CCn1cc2ccc(NCc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2n1 1658664477 RWCDMAVNENNZLC-UHFFFAOYSA-N 425.558 4.584 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)c1 1658978831 CSRLDFWSFIUWJK-JVODISISSA-N 434.536 4.921 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(Cl)cc1C 1661281856 IQIUAZSAHOALAR-UHFFFAOYSA-N 432.742 4.927 30 10 IJEE CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 1664044438 BZZGQSIRPOBECZ-UHFFFAOYSA-N 441.623 4.808 30 10 IJEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CCCC1 1665141774 SRFNZWBIPAADIT-ZVVDCOBXSA-N 445.629 4.800 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Br)cc1 1666013858 LVWMCNOBZHLINY-WOJBJXKFSA-N 429.314 4.503 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1666448895 JFVFNACPGXWWNG-NTLWEQJWSA-N 433.618 4.656 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1F 1669153300 STEUFYMKZMIAKM-CQSZACIVSA-N 426.218 4.804 30 10 IJEE C#CCN(C(=O)Nc1cccc(-c2nc(C)co2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1669938295 RWFBGEMYCBTZFG-UHFFFAOYSA-N 438.528 4.517 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 1670325744 VRDSUDTYCWJIKT-FZMZJTMJSA-N 426.298 4.881 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2ccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2)c1 1673058292 BFGWLGNBBITUEN-JOCHJYFZSA-N 435.524 4.645 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H](C)[C@@H]3CCNC(=O)OC(C)(C)C)cc21 1675098132 COIXLINDKJNXON-XLIONFOSSA-N 441.576 4.770 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1 1675377930 OVGRIHWBXBYHKB-UHFFFAOYSA-N 443.345 4.760 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21)c1ccc(F)c(F)c1 1680284678 RZWSKKSVOUNSCT-JOCLIGHLSA-N 433.296 4.982 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@@H](O)COc1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1680628908 GLRXXLJQZJBZGK-TZIWHRDSSA-N 436.474 4.760 30 10 IJEE C#CCN(C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C)[C@@H]1CCOc2ccc(Br)cc21 1683882083 SCPAKZPPVMAPBE-IWMITWMQSA-N 439.353 4.646 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CC[C@@](C)(CC)O1 1689954058 JYSXCSQKIVSRFZ-CJFMBICVSA-N 434.540 4.534 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1sc(C)nc1C 1689955636 OLCPODDWFHTZCT-UHFFFAOYSA-N 437.613 4.755 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CC1CCC(C(F)(F)F)CC1 1690097503 IMSJFUUAPRFGHO-UHFFFAOYSA-N 448.533 4.962 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1 1690298159 RAAMPHMZQBLFGK-NHCUHLMSSA-N 430.568 4.817 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1)c1ccccc1 1690325679 FHDOILAGACCZDJ-QHCPKHFHSA-N 449.643 4.857 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1690430633 PMZNTCTWSIPZLE-SFHVURJKSA-N 441.624 4.538 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 1690445133 RVTKTDJWKXYZOV-QHCPKHFHSA-N 449.643 4.990 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@]1(C)CCCS1 1690557988 AYQKFXFNVKDQCX-DEOSSOPVSA-N 432.597 4.634 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCSC(C)(C)C1)C(C)C 1690581513 TXZICPVGCYTWKC-HXUWFJFHSA-N 443.661 4.877 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1690697638 ZKIGCVWNEHPRAI-OKZBNKHCSA-N 435.494 4.723 30 10 IJEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1cccc(C)c1 1690752542 LOIPUYGIURSENB-BDTNDASRSA-N 442.629 4.571 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)o1 1693049090 HVKRQKYVGCXCPE-PZJWPPBQSA-N 425.577 4.818 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC1(F)CCC1 1705592908 XURITVQTSUGRKJ-UHFFFAOYSA-N 446.526 4.862 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCCC(F)(F)C1 1705597955 XASYPIHNUFJYQO-SFHVURJKSA-N 446.492 4.826 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1csc(CC)n1 1705606352 PHCAPIQYLLVDGP-UHFFFAOYSA-N 430.581 4.523 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC[C@@H]1C 1705609965 XNEFGMGLIKDUMF-RDJZCZTQSA-N 431.378 4.612 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCSC[C@@H]1C 1705698148 QCTLDPLKFBISOI-FKVLARQCSA-N 426.630 4.743 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1705782387 VZXRFHZKBOZZRY-NRFANRHFSA-N 438.620 4.642 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCCCN2CCC)CC1 1705784669 DRWNBHZEIZVEHM-QFIPXVFZSA-N 441.595 4.663 30 10 IJEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1 1705796904 MRLJIJGKQZBGRF-XMMPIXPASA-N 449.643 4.819 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@](C)(O)CCC)C1CC1 1705850998 QIQPLOFCDPBXSY-HXUWFJFHSA-N 437.357 4.553 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC1CC2(CCOCC2)C1 1705857326 CXNMIBWOOOACCW-UHFFFAOYSA-N 433.600 4.847 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1722327451 QBBGEXGXOMUVFT-UHFFFAOYSA-N 435.959 4.763 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1722502211 RTRLEVJVWJAHFU-FIXDAVPBSA-N 442.579 4.992 30 10 IJEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC2CCCC2)CC1 1722546170 VTRHPABHSJMDFZ-UHFFFAOYSA-N 431.924 4.534 30 10 IJEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1722549931 CKTIUASGKFJYBL-QGZVFWFLSA-N 428.993 4.858 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccc(F)c2)CC1 1722572057 KLPSFAITZURLRW-FQEVSTJZSA-N 441.551 4.694 30 10 IJEE C=CCn1c(N(C)Cc2ccc(Cl)s2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722689619 XOKRIIFUGDMESD-OKILXGFUSA-N 437.997 4.586 30 10 IJEE C=CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC([C@H]3CCOC3)CC2)cc1 1722705114 VQXRCPQJPWEFQC-QFIPXVFZSA-N 438.616 4.733 30 10 IJEE C=CCSCCn1c(N2CC[C@H](C)N(Cc3ccccc3)CC2)nnc1C(C)(C)C 1722739123 GGUSXILLHPSSFK-FQEVSTJZSA-N 427.662 4.596 30 10 IJEE Cc1cc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)on1 1726439534 HMVITYNCKUKYNZ-MRXNPFEDSA-N 440.935 4.546 30 10 IJEE CC[C@@H]1CCCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1C 1727714096 GFLWVJHAMXMDPC-HSZRJFAPSA-N 432.572 4.619 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@](C)(O)C1CCCCC1 1740558552 GISKMBAFMMGQJA-YADARESESA-N 426.630 4.668 30 10 IJEE C#CCCCCn1c(CC2CC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 1740577288 YNSXYDSOKUGLJP-HSZRJFAPSA-N 426.992 4.638 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C1CC(C(C)(C)C)C1 1740634278 KMXFQIKZTQITFD-UHFFFAOYSA-N 434.584 4.813 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1(C)CCCC1 1740643190 CCUFPEYTNKAKSA-UHFFFAOYSA-N 431.367 4.817 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C1CCC(C)CC1 1740711848 VYDGRMDVRPCUNT-UHFFFAOYSA-N 434.613 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](c1ccsc1)N(C)C 1740733907 NVOBYSGIZWRVDG-WIOPSUGQSA-N 449.624 4.522 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1740833651 VEJASSPGNBBXJH-QWFCFKBJSA-N 431.625 4.840 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(CC(C)C)CC2)CC1 1740835414 MDERNUDXHCLBAG-UHFFFAOYSA-N 442.629 4.577 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740853042 WLZDAGOWKPKXOI-NRFANRHFSA-N 438.616 4.899 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@H](SC)C(C)(C)C 1740916714 VYJHAOXTVWGWIP-RTWAWAEBSA-N 439.629 4.624 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCC1=CCCCC1 1740920079 BYFUKRRUSCRZGU-UHFFFAOYSA-N 437.563 4.623 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C2CCCCC2)CC1 1740944873 NHEPEBYNWIQWDN-UHFFFAOYSA-N 444.421 4.657 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2CN2CCCCC2)C1 1740972941 PABNPWOYHRTXKE-XUZZJYLKSA-N 437.632 4.607 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@@H]1C 1740999010 WCKLYNJGAOIBNG-AWEZNQCLSA-N 437.407 4.624 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCSC1 1742046555 CRLPTCWTWJFWSH-NVXWUHKLSA-N 438.626 4.869 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1CCOC(C)C 1746202722 HSMMJIMPHXSSTG-UHFFFAOYSA-N 429.977 4.983 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(SC)CCOCC1 1748650801 DZGRCSRJZYHPJT-IAGOWNOFSA-N 444.670 4.502 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCSC(F)(F)F 1748771824 ONCVBYFMVBJTMM-UHFFFAOYSA-N 433.503 4.675 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1Cl 1749127065 JEDIYLBKSXOJJT-DENIHFKCSA-N 437.975 4.920 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)CN2CCCC2)CC1 1749296170 KMGIBZJSHUZJNT-SFHVURJKSA-N 444.421 4.596 30 10 IJEE C=CCCCCCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOC2=O)cc1 1749384336 ZVBNBAFXKOWHTN-UHFFFAOYSA-N 425.577 4.763 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(OC2CCCC2)nc1 1749501904 KKCBQTAAKHMOFM-UHFFFAOYSA-N 433.556 4.552 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1CCC=CO1)C1CC1 1749510959 CBUUISDQPYKYAA-QGZVFWFLSA-N 445.361 4.564 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CSCCS1 1749560694 VNUUKWQYFWGTPW-SJORKVTESA-N 434.606 4.584 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1CCc1csc(-c2ccccc2)n1 1749571838 SHQWFENCDWWSPZ-UHFFFAOYSA-N 428.565 4.885 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1749755256 XUQKWDJORHUDKY-UHFFFAOYSA-N 425.646 4.798 30 10 IJEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1760141311 PUZCXGRNFQYCTQ-YADARESESA-N 446.599 4.539 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(COC)CCCCC1 1760164647 WWWBBSLFDUBZOV-SFHVURJKSA-N 430.980 4.738 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)c1ccc(F)cc1 1760167505 SAUZNYMZUNOXGG-CYBMUJFWSA-N 433.350 4.781 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1nccs1 1760210663 VHTYGKAMVPCUPB-CTNGQTDRSA-N 447.608 4.758 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1nccs1 1760210668 VHTYGKAMVPCUPB-TZIWHRDSSA-N 447.608 4.758 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCCC1 1760288483 DKGRYTFBCDJSON-NTKDMRAZSA-N 442.007 4.550 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)OC(C)(C)C 1760331189 IRBPQRBIWJBRLT-UHFFFAOYSA-N 425.533 4.618 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2nccc(C(F)(F)F)n2)CC1 1760385690 USEXBSBEHQKDJH-UHFFFAOYSA-N 442.489 4.715 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCCN2CC)CC1 1760405684 BXERYPWARKXKKH-OAQYLSRUSA-N 425.646 4.766 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760412190 XDIHIXNDOLFFLZ-GOSISDBHSA-N 431.625 4.889 30 10 IJEE C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@](C)(OC)CC1 1760431638 XHVPCQOXZRFICT-XMMPIXPASA-N 425.577 4.509 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(F)c1F 1760457950 NGLCLXLTNBQMEZ-UHFFFAOYSA-N 439.329 4.912 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C)C1CC1 1760475691 QOSBBLXOJYIBBS-WZONZLPQSA-N 442.579 4.992 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC=C(Br)C1)C(C)C 1760489050 BKZAZZKWRQWDBT-FQEVSTJZSA-N 448.453 4.733 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN(c2cccs2)CC1 1760531793 ACKRDYDYSNPGOP-IBGZPJMESA-N 437.613 4.793 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(CCOC)CCCC2)C1 1760538528 ZLZVTALDTGYYIZ-OAQYLSRUSA-N 445.007 4.977 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1 1768501803 HGOIAVOMRFGNSO-UHFFFAOYSA-N 443.020 4.756 30 10 IJEE CN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)c1ccccn1 1768850997 GDRFBAJZIHBRAS-UHFFFAOYSA-N 442.592 4.930 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1 1772560114 BAPDLWWQYFEIGH-OAQYLSRUSA-N 427.566 4.830 30 10 IJEE CCN(CC)S(=O)(=O)c1ccc(-c2csc(NN=C/C=C\c3ccccc3)n2)cc1 1772721416 QUUSYFZZHONUIM-ILEXUSGASA-N 440.594 4.952 30 10 IJEE O=C1/C(=C\c2ccccc2)SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 1772759087 LAHXNHHRCRQPCP-NQFKXEMJSA-N 432.461 4.694 30 10 IJEE Cc1ccc(C(=O)CCC(=O)NCc2ccc(OC(=O)Nc3ccccc3C#N)cc2)cc1 1858907583 UBJXMSQKJMRPNN-UHFFFAOYSA-N 441.487 4.757 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2F)cc1 1862474515 PORLHKAYCZCGTR-QHCPKHFHSA-N 445.446 4.641 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCC(C)C)cc1 1862512986 ZOKNDFFHDKIZGC-NRFANRHFSA-N 439.483 4.545 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1 1862559506 PVQPMESAKPPTEI-DEOSSOPVSA-N 442.515 4.754 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 1862592585 GBKRAPRQCKRMNV-QFIPXVFZSA-N 437.536 4.693 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 1862614660 CHYJQVOWLHCFLI-RBBKRZOGSA-N 437.511 4.881 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 1862628466 ZIBLUCHBQPUAMU-CMJOXMDJSA-N 445.446 4.894 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3cccc4cccnc34)C2=O)c1 1862751338 NUKDTCUXUWWYIU-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862758789 CTXIBPKIMGLLGD-GOSISDBHSA-N 448.397 4.992 30 10 IJEE CC(=O)c1cccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(Cl)cc3)C2=O)c1 1862796942 LNPCQPRHEYVKGL-UHFFFAOYSA-N 441.874 4.811 30 10 IJEE Cc1cccc(CN2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3F)C2=O)c1 1863321230 NKJZYBYYRUUWLS-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE CCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(OCc3ccccc3)cc2)C1=O 1863368067 FUFABURWAYYQEZ-UHFFFAOYSA-N 437.499 4.739 30 10 IJEE CCc1ccc(-c2nc(CC(=O)N[C@](C)(CC)C(=O)Nc3ccc(C#N)cc3)c(C)o2)cc1 1867180739 VXIHWKLVGSBGMJ-AREMUKBSSA-N 444.535 4.550 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCN(C(C)C)c3ccccc32)n1 1868262606 ZSMQXCMNSATWNW-UHFFFAOYSA-N 428.540 4.647 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)nc(CCOC)n1 1869109247 OSLKXIFXRDOUJD-NRFANRHFSA-N 426.992 4.709 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCCCC1 1870423942 UIEHWEWFLYCPOX-UHFFFAOYSA-N 434.621 4.773 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870512009 NQLXDDPTLXMOJY-VXKWHMMOSA-N 447.664 4.590 30 10 IJEE CCCCCCCCn1cc(OCCCO)c(=O)cc1CNc1ccc(OCC)cc1 1871265825 GMKBXQOEDASPJQ-UHFFFAOYSA-N 430.589 4.981 30 10 IJEE CCOc1ccccc1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O 1871418502 XJBXOLVOBLJDHA-XKZIYDEJSA-N 433.460 4.929 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871420829 LRKRZBBCVYWNCG-NHDPSOOVSA-N 430.416 4.537 30 10 IJEE Cc1cccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)c1C 1871459662 WNWZEHSXFGGLJD-FMCGGJTJSA-N 444.443 4.845 30 10 IJEE C=CCN=c1nc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)[nH]c(N(CC)CC)n1 1871611804 BSFARDQZONIIGU-UHFFFAOYSA-N 438.963 4.714 30 10 IJEE C=CCN([C@@H](CC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)CCCC 1871945597 FNXAMESUBLSJDB-SFHVURJKSA-N 435.417 4.965 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872055723 DSGZJQGNDFLLHO-HSZRJFAPSA-N 446.588 4.981 30 10 IJEE C=C(C)CN([C@@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 1872555679 WGYOZJMBPOVNCW-QHCPKHFHSA-N 428.598 4.986 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)cc1OC 1872761934 ZORJEINZJFSLKH-INIZCTEOSA-N 428.897 4.736 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N(CC)CC)cc2C)cc2c(N(CC)CC)ncnc21 1873670538 CEAUDODEHQKNSS-UHFFFAOYSA-N 434.588 4.870 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cc(Cl)ccc1O 1874317651 FLKGNNUIYVNYRW-HZHRSRAPSA-N 428.945 4.809 30 10 IJEE Cc1cccc(CSc2nnc(Cc3ccc(F)cc3)n2/N=C/c2ccc(O)cc2O)c1 1874378030 APPGPDADYRWACF-VULFUBBASA-N 448.523 4.902 30 10 IJEE Cc1cccc(/C=N/n2c(SCC(=O)OCC(C)C)nnc2[C@@H](C)c2ccccc2)c1 1874401134 IJXRNVFWZYDGEP-CPUXBYDOSA-N 436.581 4.912 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)cc1 1874420379 JFQJWJFRTCPROB-OEAKJJBVSA-N 433.562 4.928 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1/N=C/c1cccs1 1874475058 HAKGQLVKRQBVST-LPYMAVHISA-N 427.599 4.912 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2cccc(F)c2)cc1OC 1874489361 NRDZBINPISKNOQ-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2C2CCC2)cc1 1874493561 SZRWHYWEVRYYLS-AFUMVMLFSA-N 449.580 4.784 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccccc1Cl 1874511524 CNZTWTARXRFKSN-FOKLQQMPSA-N 431.924 4.807 30 10 IJEE Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874583038 SXZMAVSEXPPYPV-PKNBQFBNSA-N 429.472 4.946 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)NCc1ccco1 1874608267 FQIRTGMTMRICLM-CSKARUKUSA-N 425.868 4.533 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)NCc1ccccc1 1874616837 VVAFIJNBFOTXJP-RVDMUPIBSA-N 429.516 4.985 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(OC)cc(OC)c3)c(OC)c2)cc1 1875115148 OZBQVAKKZLLBEN-VZUCSPMQSA-N 448.471 4.836 30 10 IJEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(NCCc3ccc(C)cc3)ncnc21 1875227765 LBXWJYCWQOAFJK-BGYRXZFFSA-N 431.584 4.698 30 10 IJEE C=CCN(CC(=C)Br)C(=O)c1cc(Br)c(Br)s1 1916315033 WCMWYDIKVBJOOB-UHFFFAOYSA-N 443.986 4.810 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 1922107114 JJNTZUKWIHKUCM-OAQYLSRUSA-N 428.577 4.716 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 1986261441 COSNFIWUVGGLFN-MSOLQXFVSA-N 430.511 4.829 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1)[C@H](C#N)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2020786198 ZCOOXZPHPLNDAX-IAGOWNOFSA-N 437.487 4.965 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C12CCC2 2053044556 QQVJRHXMBGALDG-KSFYIVLOSA-N 448.568 4.901 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](O)Cc2cc(Cl)cc(Br)c2)C1 2063052143 PKDSZMJYRQSZPJ-MRXNPFEDSA-N 430.770 4.867 30 10 IJEE CCCc1ccc([C@H](C)n2nc(C(F)F)c(C=NO)c2I)cc1 2079936015 JVRFLFBRTCZIER-JTQLQIEISA-N 433.240 4.795 30 10 IJEE COc1c2c(nc3c(-c4ccc(C(F)(F)F)c(F)n4)c(C(F)(F)F)nn13)CCCC2 2081196399 HOVHFZCKLZXZCH-UHFFFAOYSA-N 434.315 4.855 30 10 IJEE COc1c2c(nc3c(-c4cc(C(F)(F)F)ccc4F)c(C(F)(F)F)nn13)CCOC2 2081394352 KNUICPCJNUGRRR-UHFFFAOYSA-N 435.299 4.654 30 10 IJEE CC[C@H](CCCC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2085166972 MTACKKWZNLWTNN-QZTJIDSGSA-N 438.418 4.545 30 10 IJEE Cc1ccc(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1I 2094848919 IQZOWWFBUCLRSM-UHFFFAOYSA-N 449.141 4.511 30 10 IJEE Cc1cc(CNc2ccc(I)c(Br)c2)ccc1C#N 2097188358 JOPJRBADBRTIJV-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(Nc2cc(Br)c(C#N)cc2F)CC1 2106080765 QTQWFALTURRFFD-UHFFFAOYSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCN(c2cc(Br)cc(F)c2C#N)C1 2174815406 SSSDUYKIANBKJO-GUYCJALGSA-N 438.341 4.686 30 10 IJEE C=C(C(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221679064 DRCRKJDWBCXESN-MRXNPFEDSA-N 426.427 4.888 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1CC1CC1 2233326330 YOQLIEWTTKLUAV-CRAIPNDOSA-N 441.414 4.566 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](C[C@@H](N)C#Cc1ccccc1Br)C1CCCC1 2235717596 BOSAMNDKQLHTFD-OALUTQOASA-N 435.406 4.849 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 2235720649 PUSOQOVQCVVYTD-ZBFHGGJFSA-N 449.311 4.624 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2235723491 UFGNTDFSRHNLQB-PKOBYXMFSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C1(N(C)C(=O)OC(C)(C)C)CCCCC1 2235725829 JIMPZEAFRLYMHS-LJQANCHMSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[C@H](N)C#Cc2ccccc2Br)C1 2235748749 CHCHBFPUDZMUNH-PKOBYXMFSA-N 435.406 4.801 30 10 IJEE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CC#N)CC(C)C 2243924240 DDVYVASUAJBYFF-VWLOTQADSA-N 447.579 4.948 30 10 IJEE CC1(C)OB(c2ccc(Cl)cc2C(=O)N(Cc2ccccc2)CC(F)F)OC1(C)C 2247912093 BMUCJYBCQMFNCX-UHFFFAOYSA-N 435.707 4.547 30 10 IJEE C=C([C@H](NCC)[C@@](C)(O)c1cc(Br)c(Br)s1)C(F)(F)F 2281278784 FLVXKUYQOXTTCU-ONGXEEELSA-N 437.119 4.577 30 10 IJEE COc1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)c(B2OC(C)(C)C(C)(C)O2)c1 2281944905 UKIRUUKMYYCDNG-UHFFFAOYSA-N 449.400 4.970 30 10 IJEE CC1(C)OB(c2cccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2F)OC1(C)C 2282407924 AEHRBIOTBRSXRC-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)c1ccccc1 2282553452 YGFYYNBGFFLVFO-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(C3CC3)n2)CCCN1C(=O)OC(C)(C)C 2287852321 KPCMMUREPDKJKY-FQEVSTJZSA-N 438.366 4.841 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc3ccccc23)cc1 2296079802 WWWCYSAVEZMJJF-NRFANRHFSA-N 441.512 4.934 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 2296218294 CLTRMNFAGCNVIH-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296229407 JFFARMMEPSDIHM-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CC[C@]1([C@@H](C#Cc2ccc(Br)cc2)NC)CCCCN1C(=O)OC(C)(C)C 2296309661 YVFVOCSMCLUNPH-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2301441154 SJOFOYPSEGMGCL-DNVJHFABSA-N 428.617 4.904 30 10 IJEE C[C@@H](NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2312851254 WXEOCDADFQFIJO-ZTFGCOKTSA-N 430.354 4.693 30 10 IJEE CC(C)(C#N)c1ccnc(NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1 2316405159 MPGUIIUKVOCUIM-UHFFFAOYSA-N 426.564 4.766 30 10 IJEE N[C@@H](C#CC1[C@H]2COC[C@H]12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2319160107 VYDSSVWVMPITHC-CYXNTTPDSA-N 425.528 4.740 30 10 IJEE CCCOc1ccc(C=NNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1OC 2322611814 WWNFZPYUFLBHDA-UHFFFAOYSA-N 447.322 4.783 30 10 IJEE CC(C)(C)n1ncc(NN=Cc2cccc(Oc3ccccc3)c2)c(Br)c1=O 2322642071 IWSKVMHFWQWMKX-UHFFFAOYSA-N 441.329 4.999 30 10 IJEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(N)=O)c2)cc1 2323222894 FCOSQTICKLYENA-UHFFFAOYSA-N 425.525 4.805 30 10 IJEE COc1cc(C=NNc2nc(C)c(C(C)=O)s2)cc([N+](=O)[O-])c1OCc1ccccc1 2323854413 WVJFVFKILGMQEG-UHFFFAOYSA-N 440.481 4.596 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3C[C@H](C)O[C@H](C)C3)C2=O)c2ccccc21 2324017581 NQAVKEZBOUZJBS-CALCHBBNSA-N 432.520 4.592 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(O)c3CN3CCN(Cc4ccccc4C)CC3)C2=O)o1 2324197077 OXUHMFIUTZYXLX-UHFFFAOYSA-N 444.531 4.536 30 10 IJEE FC1CC(CS)(COCc2ccc(I)c(Br)c2)C1 2325382374 WIGDCOZKGLQXJK-UHFFFAOYSA-N 445.135 4.618 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2F)cc2c1C(=O)C(=Cc1ccco1)O2 2325532255 VSEDISBBYCTIOC-UHFFFAOYSA-N 429.350 4.639 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1N=Cc1ccc[nH]1 2325820769 MSHUYKQDLCTFDB-UHFFFAOYSA-N 425.558 4.652 30 10 IJEE COc1cccc(C=Nn2c(COc3cc(C)c(Cl)c(C)c3)nnc2SC)c1OC 2326094440 DZKLQWHNUHKXNH-UHFFFAOYSA-N 446.960 4.749 30 10 IJEE Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(Br)ccc1O 2326350200 UGXTYYVNMKMRGR-UHFFFAOYSA-N 437.750 4.883 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1cc(Cl)ccc1O 2327175091 UFZBGIJNUUJPGM-UHFFFAOYSA-N 430.961 4.951 30 10 IJEE CCCNC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(C(C)(C)C)cc1 2331051296 SCRIAFRBWRCLLW-UHFFFAOYSA-N 427.618 4.734 30 10 IJEE CCSc1nnc(CCOC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331266732 BOPSTSRACUSORM-UHFFFAOYSA-N 430.961 4.694 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)CCc1ccccc1 2331449419 YTSCGTZVAPNJQM-UHFFFAOYSA-N 430.456 4.858 30 10 IJEE CC(C)Cc1nnc(SCc2cccc(Cl)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331470885 UGLXQJGZQJNGEK-UHFFFAOYSA-N 445.932 4.918 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccc(F)cc1F 2331646649 PAUWTZTXCSDCKV-UHFFFAOYSA-N 443.523 4.739 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c2)c1 2331682938 UXNJOKIVBISPEN-UHFFFAOYSA-N 443.452 4.612 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(C(C)C)cc2)cc1 2332187550 RCFAEZIGNGANSR-UHFFFAOYSA-N 428.540 4.760 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3CC4(CC(OCc5ccccc5)C4)C3)nc2)OC1(C)C 2339603105 UZOBUDGJNLETEP-OUKQBFOZSA-N 432.373 4.912 30 10 IJEE CCOc1c(O)ccc(/C=C2/S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1[N+](=O)[O-] 1136562 WZSITKMSMMVDAB-OVCLIPMQSA-N 433.873 4.553 30 10 IJEE O=C(CCSc1n[nH]c(NN=C2CCCC2)n1)NC(c1ccccc1)c1ccccc1 21084879 RTAIICZICQPDFN-UHFFFAOYSA-N 434.569 4.535 30 10 IJEE CC(/C=C/c1ccccc1)=N\Nc1nnc(SCc2cccc(Br)c2)n1N 21324002 WZDJRSCDQKZXHF-AOYBPTFZSA-N 443.374 4.548 30 10 IJEE Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C\c2ccc(Br)cc2)c1C#N 33288741 GUKWLQJFFOZZOY-TWGQIWQCSA-N 433.327 4.908 30 10 IJEE O=S(=O)(c1ccc(-c2csc(N/N=C/c3ccccc3F)n2)cc1)N1CCCCC1 33959927 LWPZJWYMBDLHGR-OEAKJJBVSA-N 444.557 4.570 30 10 IJEE COC(=O)c1ccccc1-n1c(C)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c1C 59105955 CWGAVYBIDDXDLK-BKUYFWCQSA-N 449.507 4.911 30 10 IJEE CCCC/C(C)=N/Nc1nc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)n[nH]1 59891269 FGMQOBCZMJQACW-ZMOGYAJESA-N 445.618 4.716 30 10 IJEE O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)/C1=C(/O)c1cccs1 103096508 RTJQYORUCBOHPM-NIVXLMMWSA-N 438.332 4.656 30 10 IJEE CC(C)Oc1ccc(/C=N\n2c(S)nnc2Cc2ccc(F)cc2)cc1Br 169913669 XKKZWNOYZXFESM-JJFYIABZSA-N 449.349 4.729 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(OC)cc2)cc1 169928052 BGPNQAUTLKXULQ-HSZRJFAPSA-N 437.536 4.651 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@H]2c2ccc(O)cc2)s1 169961152 RMADKQGWLBNCHL-FQEVSTJZSA-N 434.517 4.865 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccn1 169996941 APRIMEJJYCCAQQ-NRFANRHFSA-N 448.862 4.555 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccccc2)cc1 170050782 ULOQSAFULFKZEM-HSZRJFAPSA-N 441.483 4.819 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1ccc(O)cc1 170132215 XRRFHZSYJJDBIO-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2CCOC(C)C)c1 170139723 RYLVWLDKZAFXEU-QHCPKHFHSA-N 437.536 4.786 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@H]3c3ccccn3)oc12 170176402 FDQSRUSOLHRPMU-QFIPXVFZSA-N 440.455 4.928 30 10 IJEE CC[C@@H](C)OC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)cs3)=C2N)c1 170180055 QIBICZJIHOYVRV-MRXNPFEDSA-N 447.560 4.790 30 10 IJEE Cc1sc(C2=C(N)N(c3cccc(OC(F)(F)F)c3)CC2=O)nc1-c1ccccc1 170181105 ZVGQSOYBACIQKN-UHFFFAOYSA-N 431.439 4.734 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)cc1 170224645 FUHFZJUNCWTHPM-QHCPKHFHSA-N 429.472 4.964 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCC2 170241940 IQGYAVRNXPKUHQ-DEOSSOPVSA-N 442.490 4.878 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)c1 170251059 XIUVFAQDSBQVLE-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(O)c2)c1 170259096 NHXKFUAZRQEUEX-QHCPKHFHSA-N 429.472 4.964 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)cc1OC 170259483 ICNZXVSOVKJSTC-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@@H]1c1ccco1 170283815 GFWQGNDPSLQVIO-LJQANCHMSA-N 439.851 4.739 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)[C@@H]1c1ccco1)c1cccc(Cl)c1 170296729 ZBOKBIFCQWRALB-HXUWFJFHSA-N 425.843 4.893 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2sccc2C)cc1C 170313411 CEHVCAGOZBTJRM-HXUWFJFHSA-N 443.565 4.685 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OCC)c2)cc1 170359683 AOZMQBJOXGHXOF-QHCPKHFHSA-N 444.487 4.662 30 10 IJEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1)N2 250440506 JQTXPLHFMUZTDR-SLSDLSHTSA-N 436.577 4.884 30 10 IJEE CC(C)OC(=O)c1cccc2c1-c1ccccc1C2=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252634425 WNNFAPNJDPLWIE-UHFFFAOYSA-N 446.419 4.913 30 10 IJEE CC(C)(C)[C@@H]1CSC(=Nc2ccc(I)cc2Br)N1 393986920 AMXLJIHTMPJJRW-NSHDSACASA-N 439.160 4.792 30 10 IJEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 434021515 KVTHBBMMGPVMFE-GOSISDBHSA-N 429.520 4.665 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 475577672 GDXCNJQIIWSDRG-UHFFFAOYSA-N 434.628 4.820 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccncc4)c(Cl)c3)cc2C1=O 505811561 IGPCHXNPLCCPRQ-UHFFFAOYSA-N 433.851 4.562 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](c2cccs2)C1 508839018 BKDOGHMEJUFKFX-FQEVSTJZSA-N 440.569 4.568 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C\c1cc(OC)c(OC)c(OC)c1 526803087 RAGAJXCLLOTBHN-CFRMEGHHSA-N 444.532 4.570 30 10 IJEE CCCCOc1ccc(/C=N\n2c(C)nnc2SCc2cccc(C(=O)OC)c2)cc1 526825990 IXVOIXXZYPEUFI-IWIPYMOSSA-N 438.553 4.727 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nncn2/N=C\c2ccccc2COc2ccccc2)cc1 526828626 NHGGXZKWGKLDNT-QFEZKATASA-N 445.504 4.940 30 10 IJEE CC(=O)c1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl 542160274 PLKPKYZGSPUXLG-UHFFFAOYSA-N 438.871 4.517 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 549331808 QDWPIDIXGQQBPQ-UHFFFAOYSA-N 441.664 4.842 30 10 IJEE COc1ccc(-c2ccc(N3CCC(C(=O)Nc4cc(Cl)ccc4C#N)CC3)nn2)cc1 585193039 BBTCOUCCEFUKLB-UHFFFAOYSA-N 447.926 4.532 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(C#N)cc2)cc1 586148509 MOYXLPUTFAIFQO-UHFFFAOYSA-N 438.524 4.876 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(B3OC(C)(C)C(C)(C)O3)cc(C(C)(C)C)n2)C1 607717961 IUGVRUCYHUAOIH-QGZVFWFLSA-N 444.425 4.793 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](C#N)(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 698370822 CMGGWGNOOROJBM-MHECFPHRSA-N 429.561 4.963 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 698373669 JMQSLAWYZSMONR-DVECYGJZSA-N 429.561 4.963 30 10 IJEE COc1ccc(/C=C(\C)C(=O)OCC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1F 755051191 VNCOTYSFUKUKHL-VGVSSDJJSA-N 442.512 4.671 30 10 IJEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 763765131 WMCOVHQHOIDTAA-PXNMLYILSA-N 431.805 4.685 30 10 IJEE Cc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ccc1-c1ccc(Br)cc1 778692227 JAAPOUQHLLJVGZ-UHFFFAOYSA-N 440.341 4.515 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CCCN1C(=O)OC(C)(C)C 804513128 DWLILGHGGGWQGN-NVQXNPDNSA-N 442.600 4.613 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]1c1ccc(C)o1 809896131 FGZIZPFVZLWLSE-RTBURBONSA-N 441.576 4.822 30 10 IJEE CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(NN=C/C=C/c3ccccc3)n2)cc1 1084247980 ITQOQXCZJSQBQD-LUQPOPLCSA-N 434.569 4.944 30 10 IJEE CC(=NNc1nc(SCCC(=O)Nc2ccccc2Cl)n[nH]1)c1ccc(F)cc1 1084553170 GAOJGHLAJCWSFI-UHFFFAOYSA-N 432.912 4.554 30 10 IJEE COc1ccc(CSc2nnc(NN=Cc3cccc(Oc4ccccc4)c3)n2N)cc1 1084610882 QFDFVCSQPFBKTD-UHFFFAOYSA-N 446.536 4.531 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Br)c(CC)s1 1124608298 WWQATMJOOMEXRB-UHFFFAOYSA-N 439.327 4.816 30 10 IJEE C[C@H](NC(=O)CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 1125025219 DBFDYPNJTOPLFE-IBGZPJMESA-N 427.504 4.733 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 1128431672 DNFXETQEYQAQBM-JRGCBEDISA-N 430.342 4.667 30 10 IJEE C#Cc1ccc([C@H](OC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)C(F)(F)F)cc1 1128970732 MPCATQMQUVBEFO-YYVWFHOOSA-N 441.449 4.767 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)n1 1129702269 CQXCQTQAWPQLGZ-UHFFFAOYSA-N 433.693 4.500 30 10 IJEE C=CCc1cc(C(=O)NCC(F)(F)c2ccc(Br)cc2)cc(OC)c1OC 1131502789 IRUORCKMZHEGMZ-UHFFFAOYSA-N 440.284 4.717 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 1136168458 BCXBWBAJUCTDRZ-HNAYVOBHSA-N 427.570 4.602 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](C)c2nc3ccccc3s2)CCCN1C(=O)OC(C)(C)C 1137459073 GNJDAFMJGDGJKU-QMHKHESXSA-N 429.586 4.862 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)c1 1149634121 JIKUXHLCEXUQRE-CQSZACIVSA-N 436.360 4.550 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)ccc1Cl 1176531961 GONDVXUVCNIYMP-IECBHUPTSA-N 425.960 4.746 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1C(F)(F)F 1186176253 GZQLUXQQJMVGKN-OAHLLOKOSA-N 432.876 4.746 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)[C@@H](C)C(=O)Nc1cc(C)ccc1OC 1190751764 DTQGNIAZTKTSCC-HNNXBMFYSA-N 435.337 4.920 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](c3ccccc3C)OC[C@H]2C)ccc1Cl 1191075884 DEYIUVYSFQYLIP-XXBNENTESA-N 425.960 4.666 30 10 IJEE C=CCCc1ccccc1NC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 1204046138 TYYDVMWQVAIYIO-GOSISDBHSA-N 431.374 4.849 30 10 IJEE COc1cc(OC)cc(N(C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1205104006 DVDRHFMFCPRFNI-UHFFFAOYSA-N 433.512 4.727 30 10 IJEE C[C@@H]1[C@@H](N(Cc2c(F)cccc2Cl)S(=O)(=O)N(C)[C@@H](C)CC#N)CCC[C@H]1C 1209136188 CSLXDKIZCNOORY-OLPIVMHESA-N 429.989 4.585 30 10 IJEE CSc1cccc([C@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)c2ccc(F)c(F)c2)c1 1210360889 FUNGHXNRBTWJQC-QFIPXVFZSA-N 444.528 4.935 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OC)cc1C(F)(F)F)c1ccc(Br)cc1 1221639140 LAOQPGBGCXOKQL-QGZVFWFLSA-N 441.247 4.650 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(Cl)cc1F 1222666453 NPNFUDWCQGBDLH-HXOBKFHXSA-N 427.951 4.885 30 10 IJEE C#C[C@H](CCC)NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1252468256 KMCACSYODZDJJW-QGZVFWFLSA-N 432.421 4.760 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1 1264341739 XYHTULSPWCSEJQ-UHFFFAOYSA-N 432.423 4.897 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nnc(Cc3ccccc3F)s2)CCCN1C(=O)OC(C)(C)C 1265093440 UBQLQLKNVJOIKZ-QFIPXVFZSA-N 446.548 4.552 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)OCc3ccc(OC(F)F)c(Br)c3)on2)c1 1273527974 BOTBJBLGETYTFI-UHFFFAOYSA-N 449.207 4.934 30 10 IJEE C#C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1)c1ccc(Cl)cc1F 1275498474 OJPZSXNHUBUTJH-VQTJNVASSA-N 446.906 4.544 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCC(F)(F)C1 1286275675 SPJQUKXIAVHGNO-QWHCGFSZSA-N 441.295 4.740 30 10 IJEE C#CCCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286316692 LHPPSZLMBGWMOV-APWZRJJASA-N 431.378 4.515 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1286355361 MNNQJFISFTTYAN-OAQYLSRUSA-N 443.636 4.508 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286381075 KPMUVWRFOXNYBM-ICSRJNTNSA-N 434.506 4.912 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C(C)C)CC1 1286401524 OIPSHAQVIKNSJU-UHFFFAOYSA-N 445.792 4.870 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1Cc1ccsc1Br 1286520529 NVRDHONAVJSXBV-HXUWFJFHSA-N 427.371 4.810 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(CC)cc2)n1CCc1nccc(C(F)(F)F)n1 1286569250 JRFMOLWKMMVKBW-UHFFFAOYSA-N 444.505 4.961 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(CC)cc1 1286579520 RGCVBLCQJJQKDX-UHFFFAOYSA-N 428.584 4.724 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)C[C@@H]1CCOC1 1286620282 IEIMXINYWJZPFX-SJORKVTESA-N 439.387 4.914 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccco1 1286621684 HOKOXPMHWXBEAQ-CQSZACIVSA-N 436.741 4.733 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1286662569 QAJNQAHDIKBENK-GOSISDBHSA-N 437.975 4.787 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286695364 VJWLJIDBNQINMF-YLJYHZDGSA-N 438.551 4.771 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286777177 IAONFTHCZIYHNL-KRWDZBQOSA-N 444.004 4.641 30 10 IJEE CC[C@@H](C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C#N)CC1 1291759254 DXTCARUUSYVXKA-ZWKOTPCHSA-N 440.661 4.602 30 10 IJEE CCc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](OC)[C@@H](C)CC 1292602306 BHQYEPREZDAXBG-UWUFEASWSA-N 439.604 4.611 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1296463008 LIPYFRAYYJBPCU-JYFHCDHNSA-N 434.536 4.572 30 10 IJEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)C1 1296991103 FXKNXWAIJZSDBR-OAQYLSRUSA-N 425.577 4.560 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl 1298613497 ZWDMGLGPSKCQNU-FPOVZHCZSA-N 432.992 4.960 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OCC=C)cc1 1300441502 PWUCNDSTLJZTLN-GOSISDBHSA-N 432.593 4.814 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCSC1(C)C 1300510923 DIAPZTYCSKMZBL-NHCUHLMSSA-N 436.625 4.639 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H]1CC=CCC1 1300833872 DUAQPKUBMLCBSS-INIZCTEOSA-N 447.377 4.663 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1300936548 DHGAJALIPHSFBL-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1300980073 DKXIZZVBRVJRPH-NRFANRHFSA-N 437.975 4.889 30 10 IJEE C=C(Cl)Cn1c(C2CC2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1 1301036532 GWMROOVBCRPIKO-UHFFFAOYSA-N 446.304 4.907 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](COCC)C1)c1ccccc1 1301165887 MCEUVAXTGCEHTE-FYYLOGMGSA-N 431.584 4.871 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCO1 1301365409 OEMWHXPRAWXJEX-MRXNPFEDSA-N 430.524 4.580 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1 1301365754 XOQWWMOGOSKABN-OAQYLSRUSA-N 441.645 4.523 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCC(C)CC1 1301399272 JNZBNFYPWNLNOL-UHFFFAOYSA-N 444.627 4.616 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCO[C@H]1C(C)C 1301405789 KRFIVXTWXMXLHF-UPVQGACJSA-N 445.567 4.706 30 10 IJEE C#CCN(C(=O)c1cccc(SC(F)(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655838 LPBUJUQCHCRHRR-UHFFFAOYSA-N 442.503 4.773 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N(CC)C2CCCCC2)nc2cc(Cl)ccc2c1=O 1307242384 JWNSCWAONMDTNQ-HNNXBMFYSA-N 434.005 4.898 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C(F)(F)F)cc1 1307619101 WDNISDCOBIKUCO-KRWDZBQOSA-N 437.418 4.858 30 10 IJEE COc1ccc2[nH]cc(C3CCN(C(=O)Nc4cc(C)c(N(C)C)cc4C#N)CC3)c2c1 1310836098 DDWKRNDAUHTUOH-UHFFFAOYSA-N 431.540 4.834 30 10 IJEE C=CCCCCCCNC(=O)N1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 1312664269 IVBAWKSJADALKO-PWRODBHTSA-N 437.625 4.617 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2noc3ccc(Br)cc23)c1 1358382290 KGOVPUIWIHLLTF-UHFFFAOYSA-N 435.277 4.941 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1358935554 MSHMGDZRTGQKNY-FQEVSTJZSA-N 442.972 4.808 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1359055924 SIHLUYNZNLYFEC-FQEVSTJZSA-N 431.005 4.533 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCc2ccccc2)CC1 1359153745 PZULXOUVWSKCPM-UHFFFAOYSA-N 444.004 4.572 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CC2(N(C)C)CCCC2)CC1 1359163264 XCPMGNIJDQLJLZ-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=CCCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC2(CCC2)C1 1359199691 DPXORTVZPXOMRN-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1359231937 JINGDGJJIXJKTG-MOPGFXCFSA-N 429.584 4.690 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1359285093 FIOYWNBOJKNQJU-ROUUACIJSA-N 445.405 4.845 30 10 IJEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N[C@H](C#N)c3cccc(Br)c3)c21 1435751522 XMLYGGKOOKZKKJ-QGZVFWFLSA-N 441.329 4.545 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@H](C)C2)ccc1Cl 1436132953 FEVHJKVQASJDDD-ZWKOTPCHSA-N 447.000 4.887 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1 1436641525 SCBRIIRQFWDZBU-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 1440408611 UIDOJZAWSFKOAF-RGEXLXHISA-N 426.925 4.980 30 10 IJEE Cc1ccccc1COc1c(C)cc(CN(C)C(=O)c2nc(O)c(C#N)cc2C)cc1C 1444139740 XPDJPVNZSVXWEN-UHFFFAOYSA-N 429.520 4.744 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl 1445467692 ZWBIIZRAHRIKKL-QGZVFWFLSA-N 427.372 4.737 30 10 IJEE C=CCC1(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CCCC1 1453468269 FRBUICDGBXBDGI-UHFFFAOYSA-N 431.330 4.842 30 10 IJEE C#Cc1cccc(N(CC)C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)c1 1456037503 XLDVNAAOQXUVKM-FQEVSTJZSA-N 432.442 4.658 30 10 IJEE N#CCCN(C(=O)CCC(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1ccccc1 1460974972 AHRSSPKGPSNIRD-UHFFFAOYSA-N 449.898 4.588 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cc1OC 1463843455 OJFPALCNWYQIHF-SJAUKRLSSA-N 427.928 4.997 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)cc1 1465213951 KJVLXGYEFAWTCW-UHFFFAOYSA-N 440.499 4.760 30 10 IJEE C=CCCC[C@H](NC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)c1ccccc1 1467089135 GIBUIHCXOQVDGK-JCOAXYOVSA-N 442.585 4.620 30 10 IJEE N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(OC(F)(F)F)c(Cl)c3)CCO2)c1 1476786489 IBYCEHROUJZSEP-KRWDZBQOSA-N 425.794 4.716 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 1477434392 MUCJETILUSSLPV-AOYPEHQESA-N 433.596 4.730 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC(CC)(CC)c1ccc(OC)c(OC)c1 1478379861 BFTJDUWMDAMDCN-UHFFFAOYSA-N 426.532 4.746 30 10 IJEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](c1ccco1)N1CCCCC1 1492557314 GODGZNIEXDBHJT-DENIHFKCSA-N 432.572 4.670 30 10 IJEE COC1(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CC#N)CC2)CCC1 1504038269 ADKRFEUULNURKE-UHFFFAOYSA-N 445.514 4.636 30 10 IJEE COc1cc(CCn2c(C3CCCC3)nnc2N2CCC(CC#N)CC2)ccc1Cl 1504083485 BMYSLLZDFSVALP-UHFFFAOYSA-N 427.980 4.970 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1507573156 DYCNARCPHWGARC-OTWHNJEPSA-N 446.542 4.958 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC1(C)C 1507790515 LQWQAEMPLVXQLJ-UHFFFAOYSA-N 425.758 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1c(F)cccc1F 1507795772 FLQNVCBRHYTUNP-WTNAPCKOSA-N 446.542 4.806 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](OC)C(F)(F)F 1507814551 AVWBTNJHTCQKMJ-QGZVFWFLSA-N 430.902 4.892 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1507892790 ZRLMEBAFZLEZNX-UXHICEINSA-N 442.629 4.941 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1507912573 VYCUJPZJGOCKJY-QGZVFWFLSA-N 441.967 4.671 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1507942932 VQEQIBQTWQJJDA-INIZCTEOSA-N 431.378 4.679 30 10 IJEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1507949078 XZYMOFSJULUKDH-GMAHTHKFSA-N 429.653 4.619 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1507949213 ZABHMKOAGWSDNS-UXHICEINSA-N 434.943 4.856 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCC[C@H](O)C1 1508010606 BCYZOTNPRJRDMF-MJGOQNOKSA-N 428.627 4.736 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2CCC(OC)CC2)C1 1508118350 VFTPBYJVVLLCTI-FQUBMZHMSA-N 445.007 4.975 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 1519837247 UTTHPRNCUQJLIY-QFIPXVFZSA-N 427.386 4.843 30 10 IJEE C=CCN(C(=O)CSc1nc2ccccc2s1)[C@H](Cc1ccccc1)C(=O)OCC 1522165054 FRHZIWDGQFUPJE-LJQANCHMSA-N 440.590 4.577 30 10 IJEE C#C[C@@H](NC(=O)c1ccc(O[C@@H](C)C(F)(F)F)nc1C)c1ccc(Br)cc1 1525053848 GIURDHYGVIGPDZ-BLLLJJGKSA-N 441.247 4.586 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC 1529953731 RDSZRXWQUNWHMN-SWDTZWKESA-N 434.580 4.785 30 10 IJEE N#Cc1ccc(Cn2cnc(NC(=O)c3sc4cccc(Cl)c4c3Cl)n2)cc1 1533173768 DDBMAOTVKHZBCG-UHFFFAOYSA-N 428.304 4.972 30 10 IJEE CC(C)[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)c(F)c1 1534154503 GFCKHMGYKZISEP-YCRPNKLZSA-N 432.854 4.783 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@]23CCCC[C@@H]2C3)c1 1535054065 PQHBNLWAWDNQII-JPYJTQIMSA-N 444.984 4.784 30 10 IJEE C=CCC[C@H]1CCCN1C(=O)Cc1ccc(I)c(Br)c1 1538891578 MCZJPNFPJSEDMV-ZDUSSCGKSA-N 448.142 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCOc1ncccc1Cl 1538984978 UMVRSMPXLWQATG-KRWDZBQOSA-N 437.975 4.828 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCCOC1 1539305773 ONSBGBQYWPMLCI-IBGZPJMESA-N 448.567 4.702 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCN(C(C)C)C1 1539569716 RPWBJGGYLNISKM-AJTFRIOCSA-N 449.643 4.532 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(C)C)CC1 1539619731 HIRGKGVIQYPVOL-RBBKRZOGSA-N 439.560 4.707 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1539752373 LGLBPAPRZHVSQW-HNNXBMFYSA-N 447.555 4.702 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C[C@@H]1CCCOC1 1539785724 AEGMZCFLQFSTSW-SFHVURJKSA-N 442.947 4.732 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1539902879 PMYWXMSETFBIAV-IBGZPJMESA-N 443.611 4.864 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1539967954 NJOZMPDKLPANPQ-UHFFFAOYSA-N 426.996 4.865 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H](C)c1nccs1 1540133714 JYGKGRBHZFBYSA-QGZVFWFLSA-N 434.544 4.932 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)(C)C)nc1 1540161718 IIFDYFXEBXVZMP-UHFFFAOYSA-N 428.540 4.616 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1Cc1c(F)cccc1Cl 1540187975 YXJODGKQYWCXDO-QGZVFWFLSA-N 444.938 4.841 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C2CC(C(C)(C)C)C2)C1 1540896320 KELNSZATBAYKNI-MHJFOBGBSA-N 440.588 4.644 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1C[C@@H]1C 1541073372 YAJRIRXGXFIOGU-JCEJCQQGSA-N 438.955 4.809 30 10 IJEE N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1 1543994126 AJEPEFLFAUYVQW-GCJKJVERSA-N 443.378 4.619 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC 1556111295 SNHHZSPTSKJYEB-SFHVURJKSA-N 441.576 4.716 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1562440272 BZLNHRVILUHREA-IBGZPJMESA-N 433.886 4.589 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1 1564330311 RYYZRAKXTMEVQL-YZGWKJHDSA-N 431.577 4.754 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCN(CC)C(=O)OC(C)(C)C)s1 1585132724 JUZLHIDLROIDDV-UHFFFAOYSA-N 448.054 4.602 30 10 IJEE C#CCN(C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)[C@@H]1CCCc2ccccc21 1585188957 IJAVZRDBNDEICI-RUZDIDTESA-N 441.531 4.510 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(SCCOC)cc1 1585662247 XQVGGMLLZDZGPL-YJBOKZPZSA-N 443.009 4.638 30 10 IJEE C#CC[C@@]1(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1587245263 LVNPNWUGVSDMPG-MHZLTWQESA-N 448.563 4.675 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)C[C@@H]1CCCCO1 1587812776 BPZJCLUEXYEHMU-QHCPKHFHSA-N 431.584 4.771 30 10 IJEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2(CCC)CCC2)CC1 1588876459 AIGRHFSRESOZMH-UHFFFAOYSA-N 437.657 4.604 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cscn1 1589506551 XWACINGXJYZUCH-QFBILLFUSA-N 429.977 4.673 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1593696244 MFYOCLNZTFJYJT-LJQANCHMSA-N 438.494 4.591 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@](C)(CC)C1 1593914130 BVYNNIDMXNDLFY-HSZRJFAPSA-N 432.996 4.912 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnn(CC)c1)c1ccccc1 1594543622 CSHUUOLURQGFQU-XZOQPEGZSA-N 434.588 4.732 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N(C)CC1COC(C)(C)OC1 1594766668 AXNZBENXKOPNPH-UHFFFAOYSA-N 430.618 4.680 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1594793116 GMWONKUQJHWVPS-MRXNPFEDSA-N 428.886 4.970 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC(C)C)nc1 1594855336 AZMZZUSHGPTDER-FQEVSTJZSA-N 435.572 4.888 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCn1ccnc1C 1594857985 VJYVISLLIKNFQW-KRWDZBQOSA-N 428.968 4.516 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[C@H]1C[C@H](F)C1)C1CC1 1595054816 RJSURUOQQXYVTM-UAPYVXQJSA-N 447.599 4.686 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCCN(C(C)(C)C)CC2)nnc1C(C)(C)C)C(C)C 1595170852 KVQYUDFFQBRSLF-JOCHJYFZSA-N 444.712 4.585 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1ccc(OC)c(OC)c1Cl 1595508184 ABPHNHBVDRCQRK-UHFFFAOYSA-N 443.849 4.913 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCC[C@H](C)C1 1595793535 MTLLYJZYFLBMKT-REWPJTCUSA-N 443.632 4.784 30 10 IJEE C=CCSCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)S[C@H](C)C1 1595900502 CYSXVEOOIBFOSI-QZTJIDSGSA-N 432.659 4.669 30 10 IJEE C=CCc1cc(C(=O)Nc2nc(-c3ccccn3)nc3sccc23)cc(OC)c1OC 1595911100 FIWQSJAHDAWPOQ-UHFFFAOYSA-N 432.505 4.751 30 10 IJEE O=C(CC1CCN(CC(F)(F)F)CC1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1617928685 CBANIEYOGBMJOZ-HNNXBMFYSA-N 434.783 4.863 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)c1 1622214908 GPEAKFMRSALJPE-IBGZPJMESA-N 431.355 4.627 30 10 IJEE C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1623490733 HSQYNUBQGUZJOW-KXBFYZLASA-N 434.392 4.883 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C)CC[C@H]3c3ccccc3OC)n[nH]2)c1C 1623790684 MVOXYNHQFCZWIM-AOMKIAJQSA-N 433.556 4.698 30 10 IJEE C=CC1(CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CN(C(=O)OC(C)(C)C)C1 1624812378 YTSYIJJWJOGVEQ-UHFFFAOYSA-N 435.524 4.691 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 1625285702 KWMRSCPIXJUGDS-GCJKJVERSA-N 430.907 4.535 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCC2)c2cc(Br)ccc21 1635855285 GMMFHGUVWWAJQM-QGZVFWFLSA-N 447.373 4.524 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640555932 DIAYSCWPVPJUJH-GJZGRUSLSA-N 439.606 4.888 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)CC(=O)OC(C)(C)C)cc1OCC 1649145157 PLTXTOVSBNFODP-AWEZNQCLSA-N 428.367 4.623 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 1654476164 BKLFSDVHVRSKGZ-QRQCRPRQSA-N 429.923 4.864 30 10 IJEE C=CCOc1c(Cl)cc(CNc2ccc(-c3nnnn3C(C)C)c(F)c2)cc1OC 1657006477 YUUFLWBDQVZCGR-UHFFFAOYSA-N 431.899 4.899 30 10 IJEE C#CCN(CCC(=O)Nc1ccc(C)c(F)c1)[C@@H]1CCOc2ccc(Br)cc21 1657340968 ZJUQSMBRTBFYBK-HXUWFJFHSA-N 445.332 4.684 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@](C)(O)c2ccccc2)cc1OCC 1657616291 VNPBJKWLNVYWAD-AOMKIAJQSA-N 434.374 4.798 30 10 IJEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1C)C2 1658586865 AONVXHXSHUOVIC-KBMIEXCESA-N 433.508 4.856 30 10 IJEE Cc1cc(Br)c2c(c1)CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)CC2 1658958188 DMVVYBPVTSQHDI-UHFFFAOYSA-N 436.256 4.821 30 10 IJEE N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cccc(OCCc3ccccc3)c2)CC1 1661205459 HNHULGZIDNULOP-UHFFFAOYSA-N 444.510 4.673 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)cc1 1661816720 ODURSQJEAYKPGV-UHFFFAOYSA-N 427.476 4.654 30 10 IJEE COC(=O)[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)Cc2ccccc21 1666350985 DHVVEKYLWNEPMT-JOCHJYFZSA-N 427.460 4.655 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1)c1ccc(Cl)cc1F 1674035531 BMHLHQBPJWCKDG-SIKLNZKXSA-N 430.907 4.553 30 10 IJEE C[C@H](NC(=O)N1CCC(Nc2ccccn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1681283173 FMSWQQBVJNQDPM-IBGZPJMESA-N 425.536 4.967 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(F)(F)c1ccc(Br)cc1 1682912922 ZJLKXAITMLJLEH-UHFFFAOYSA-N 434.284 4.810 30 10 IJEE C#C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)C1CCOCC1 1684037355 XQQPDBMIBKWYSV-JOCHJYFZSA-N 441.369 4.589 30 10 IJEE C=CCCCCCCNC(=O)N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 1686410566 MVKVBUYPWSJKFW-FQEVSTJZSA-N 425.577 4.570 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccccn1 1689828424 NYRHXZXREHDUFC-MOPGFXCFSA-N 437.975 4.784 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCOc1ccccc1 1689917853 IKELNWBZEWWDHG-UHFFFAOYSA-N 445.386 4.698 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)c1cccs1 1690250462 HXJBSEQEYDXIBM-XPIZARPCSA-N 443.642 4.874 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CCOC(C)(C)C 1690280034 SYURXZPFYIRFRJ-UHFFFAOYSA-N 425.346 4.674 30 10 IJEE C=C(C)COCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690301130 PUIIRHXZNWTSEC-BJKOFHAPSA-N 448.615 4.759 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(OC)nc2)CC1 1690368769 LQUQMJUYJFRLEP-UHFFFAOYSA-N 430.339 4.860 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690428443 PTCFHKQQRDYZLI-UHFFFAOYSA-N 432.572 4.634 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCc1ccnc(C(C)(C)C)n1 1690533579 OOVINCYGBLKTRT-UHFFFAOYSA-N 448.615 4.816 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)c1ccccn1 1690607159 FXKHCDJUCLTNTH-NRFANRHFSA-N 435.572 4.721 30 10 IJEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)C1 1697868813 CAGLCTRIWXNQNX-OALUTQOASA-N 429.515 4.505 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1705477680 RCTFNYVVABQWAH-HOTGVXAUSA-N 441.576 4.817 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705483006 LVTXXSZQJVSPOL-QZTJIDSGSA-N 447.549 4.585 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1Cc1cccnc1OCCCC 1705485537 KQLHCLOCTSPBLO-LJQANCHMSA-N 440.551 4.573 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CC1(O)CCCCCC1 1705677971 JPJWOXUTGOXBKP-XMMPIXPASA-N 438.641 4.956 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705729857 AWICHCTWVZKVFG-FFZOFVMBSA-N 430.980 4.756 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@](C)(CC)C1 1705732076 MQACOSOZUOJVLR-IBGZPJMESA-N 439.423 4.988 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1705787130 IQSOIXIMCMKHBU-QZTJIDSGSA-N 444.023 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1CCN(CC)[C@@H](C)C1 1705787859 HCQUBCDBMRRVJK-KRWDZBQOSA-N 446.437 4.840 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)C[C@H]1CC 1705801958 WURLQECJAROIPM-PKOBYXMFSA-N 444.649 4.528 30 10 IJEE CC(C)c1csc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)n1 1706270460 DLOKZLJJXMPEMP-NRFANRHFSA-N 444.967 4.592 30 10 IJEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cccs1 1711008988 FQDVINJXOJEWPX-HXUWFJFHSA-N 434.613 4.808 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1c(C)noc1C 1722299896 UWRXJQMRLQQPCV-SFHVURJKSA-N 435.572 4.594 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1722324519 TVHMFEURFLRLQV-OXQOHEQNSA-N 432.490 4.842 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCCOC 1722388768 KDNGURSAXMFAKQ-UHFFFAOYSA-N 436.556 4.702 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1CCC(OC)CC1 1722418231 JTWBUNUBONDUDA-UHFFFAOYSA-N 436.531 4.831 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(C)cc1 1722507336 HZEXSPVETQUXLV-REWPJTCUSA-N 426.605 4.672 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Br)cc2)n1CC(F)(F)F 1722515174 JESBEIMWOHTTMO-UHFFFAOYSA-N 433.272 4.584 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722527819 AWASDPCWGKDNGD-VXKWHMMOSA-N 426.605 4.664 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722546830 BBEZTCDCKVSCJD-KBPBESRZSA-N 428.795 4.923 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCC[C@H]2C)CC1 1722574631 OOWNYULNCKVQON-NXMSCROESA-N 428.552 4.511 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCSC2(C)C)CC1 1722575383 HGZGEUOEBUDSMG-LJQANCHMSA-N 442.629 4.896 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C1CC1 1722631386 MAEXRVFYNZHGPJ-MSOLQXFVSA-N 432.012 4.793 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(F)c(Cl)c2)C1 1722721509 TXUHFBPLJRRTIT-KRWDZBQOSA-N 432.952 4.553 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)C1CCCCC1 1740535168 NXIDLQVBKKEUJH-JDRJUVJTSA-N 438.616 4.824 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cc(C(CC)CC)no1 1740557401 MPJPFEXAWMOQDW-MRXNPFEDSA-N 441.963 4.908 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1Cc1nc(C)cs1 1740727051 XZRLGWIZHNZWNS-HXUWFJFHSA-N 442.386 4.513 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1c(C)noc1C 1740735043 TVTCXJOHWNEAMS-AREMUKBSSA-N 447.583 4.800 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(COC)CCCCC1 1740735435 PNXJEOXHRQYNSV-DNRQZRRGSA-N 442.648 4.786 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740826482 MKVQYHXGLFFWQR-UHFFFAOYSA-N 445.995 4.546 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccc(O)cc2)CC1 1740850756 PJHGCYHHFDGQTJ-UHFFFAOYSA-N 448.615 4.832 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCS[C@@H](C)C1 1740996451 CDXACDGXTOOTOW-AWEZNQCLSA-N 439.448 4.569 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)CC1 1745835116 AAWPVJQVOHSSPH-ZJSXRUAMSA-N 439.629 4.888 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC(C)(C)C(F)(F)F)c1 1748692885 QZRKNACZNWXARM-UHFFFAOYSA-N 447.505 4.580 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CCc1ccccc1 1748735120 OVPUFAKNFGRCNN-UHFFFAOYSA-N 426.362 4.518 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(OCc2ccccc2F)CC1 1748755251 HRMBUSFFMGKXGG-UHFFFAOYSA-N 438.572 4.669 30 10 IJEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1749047497 XTRFGXNYHYTFMU-NRFANRHFSA-N 436.581 4.775 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1749072173 HVWIEQMZFXNEOC-YZIHRLCOSA-N 425.665 4.759 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1749091731 FWDSVILLFMGYGI-UHFFFAOYSA-N 427.268 4.861 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCN(CCC)CC1 1749174041 AHMVENOFKLIGJA-SFHVURJKSA-N 432.012 4.958 30 10 IJEE C=C(C)COCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749213521 MCHSAUOOJGFUBK-GOTSBHOMSA-N 438.616 4.544 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1Br 1749218847 ZSTXUWYKBNLKRX-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1749276283 HANQHJSRIIJAEA-UHFFFAOYSA-N 429.933 4.760 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1749394989 AWJKHJLDTGEXER-UHFFFAOYSA-N 436.991 4.985 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CSCCS1 1749499449 HPWDROKXGQJEPJ-GOSISDBHSA-N 432.659 4.760 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCSC1(C)C)C1CC1 1749512174 UQYLSNPTOSHAIS-QGZVFWFLSA-N 428.602 4.649 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1CC 1749544373 FYTCZXWYBRTXEF-OAQYLSRUSA-N 439.604 4.746 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(C)CCOCC1 1749592053 AJFAPSOFLXNCTF-GOSISDBHSA-N 444.645 4.587 30 10 IJEE Cc1cscc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCC#N)CC1CC1 1751755598 IEVLWFGIFJBRTJ-WOJBJXKFSA-N 427.618 4.745 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1cc(C(F)(F)F)ccn1 1760116591 QWPZQJORMKMRPH-HNNXBMFYSA-N 447.892 4.637 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760131992 GIBJLNQQXQCUFP-HSZRJFAPSA-N 449.643 4.787 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760301598 FJZPAALKILWNGM-HSALFYBXSA-N 445.405 4.591 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1760336948 BGYWPADZZFQXIL-GOSISDBHSA-N 448.995 4.684 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@](C)(O)c1cc(C)oc1C 1760339630 PAQDUIWRUQHNDY-SANMLTNESA-N 447.583 4.870 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1760352818 YVXGDVCBFSAYMK-HJNYFJLDSA-N 442.604 4.631 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCSC2(C)C)CC1 1760405918 LUCRGFPPQCTLRZ-IBGZPJMESA-N 442.629 4.800 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1760447252 KRXHUIVWSXCNGD-LJQANCHMSA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)C1CC1 1760475415 GTTZPCFFPLLNER-YMPZKCBVSA-N 443.680 4.720 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1CC1(OC)CCCC1 1760477534 CNDVKDFOTGRLRN-UHFFFAOYSA-N 447.583 4.809 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCc1csc(C(C)C)n1 1760481358 UNWURIYREPCCJW-HXUWFJFHSA-N 437.613 4.797 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCSC1 1760482902 VWPBNMFOKVWSNY-LJQANCHMSA-N 425.627 4.580 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCCc1cccc(F)c1 1760486414 NLSPLNCZOSGACB-UHFFFAOYSA-N 436.560 4.705 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1Cc1ccc(C(=O)NCC)cc1 1760486718 XFCLMCYYZPAIKP-UHFFFAOYSA-N 435.597 4.598 30 10 IJEE CCc1nc(C)c(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CC#N)CC2)o1 1762729113 BMRWOMHFLUYJKK-UHFFFAOYSA-N 442.926 4.775 30 10 IJEE CCc1cnc(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1764590277 CHNIBGNPXKJIEX-DEOSSOPVSA-N 434.613 4.651 30 10 IJEE CS[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)(C)C 1770439596 DTDWQBQVJKYYJL-QFBILLFUSA-N 427.618 4.598 30 10 IJEE CS[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1771396901 GUAMDXKRZSSHJW-YBOAYWMSSA-N 449.571 4.777 30 10 IJEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 1861887918 DALPASFUNYYVKZ-JOCHJYFZSA-N 448.954 4.689 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862403755 DIQJNQFMKNSUNK-OAQYLSRUSA-N 438.480 4.680 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(O)c1 1862411832 PWOSIKOBRCJEJN-XFPJRNFQSA-N 427.447 4.827 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)c(Cl)c2)c1 1862498705 ODZCEJGITBEGON-YJYMSZOUSA-N 434.319 4.569 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2[C@@H](C)c2ccccc2)cc1 1862557040 IMYBNDNOZGGHIZ-HJPURHCSSA-N 428.488 4.617 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc2c(c1)CCCN2C 1862657146 ACDQDBSKLJUXQX-DEOSSOPVSA-N 426.516 4.820 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)cc1 1862736665 MDDBDIVHOFOHMN-QFIPXVFZSA-N 428.444 4.682 30 10 IJEE CCCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2)C1=O 1862766496 WKQAOCFIWUESFV-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(F)c3F)=C(c3ccccc3F)C2=O)c1 1862927414 RDJZHCUVLVZUDD-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CN(C)c1ccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1863131900 QIFWBWRXYYGIQU-UHFFFAOYSA-N 447.498 4.502 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(CCC3=CCCCC3)C2=O)c1 1863314826 ZTESYWJSOFAFLS-UHFFFAOYSA-N 433.458 4.919 30 10 IJEE C=CCNC1=C(c2ccc(OC(C)C)cc2)C(=O)N([C@@H](C)c2ccc3c(c2)CCCC3)C1=O 1863704369 GGFCMLINIJYKBH-IBGZPJMESA-N 444.575 4.969 30 10 IJEE CCCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 1867047853 QHYDDXYRCGGVDI-QFIPXVFZSA-N 446.576 4.928 30 10 IJEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1 1868727893 YDFAQZQZSGAYFK-BVAGGSTKSA-N 440.534 4.972 30 10 IJEE N#Cc1nnn(-c2ccc(OC(F)(F)F)cc2)c1NC(=O)c1ccc(Cl)cc1Cl 1870147965 OSTFRTMYLIPCOZ-UHFFFAOYSA-N 442.184 4.597 30 10 IJEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CSc1ccc(C)cc1 1870269938 ZEDOQIBVDUWPCV-UHFFFAOYSA-N 428.598 4.662 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccccc2Cl)cn1Cc1cccnc1 1870339856 JKKSYXWKGCIRRF-UHFFFAOYSA-N 435.955 4.698 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CN(C)Cc2ccccc2)cc1=O 1870411929 RPOABCLTEKUISX-UHFFFAOYSA-N 427.633 4.781 30 10 IJEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(N3CCCC3)cc2)cc1=O 1871004597 NQIUNUXVYBJLRJ-UHFFFAOYSA-N 441.575 4.624 30 10 IJEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)O/C(=C\c3ccccn3)C4=O)cc2nc1C 1871379724 XJOBPBOIHHOYQT-QRVIBDJDSA-N 437.455 4.785 30 10 IJEE CCOC(COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O)OCC 1871416363 YKXBJGADYWWMJK-KSEXSDGBSA-N 437.492 4.581 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(OC)c1)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872308925 PBBIAVNEUGPHCP-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(OC)c1OC 1872777739 VATMCSJLUNBOBG-CYBMUJFWSA-N 430.432 4.604 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2ccccc2C)C1=O 1873106175 TWTLLONAWJTXPK-UHFFFAOYSA-N 436.600 4.771 30 10 IJEE CCCCCCCCN1C(=O)C(NC[C@H]2CCCO2)=C(c2c(C)cc(C)cc2C)C1=O 1873116787 RMGPPEOVKIZVHD-OAQYLSRUSA-N 426.601 4.821 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873666606 QRDLSAMPADGMAE-IRXDYDNUSA-N 428.540 4.833 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)ccc3OC)c(=O)oc2c1 1873938722 CEBBXXNSKOLTAE-UHFFFAOYSA-N 427.884 4.900 30 10 IJEE COc1cc(/C=N/n2c(COc3c(C)ccc(C)c3C)nnc2SC)cc(Cl)c1O 1874253979 OPXUMKOHAYBADW-AUEPDCJTSA-N 446.960 4.754 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874305939 XGGJTEIMHXUYDL-OEAKJJBVSA-N 437.525 4.531 30 10 IJEE COc1ccc(/C=N/n2c(COc3ccccc3)nnc2SCc2ccccc2)cc1O 1874384286 IDVRNVXTUOYUAE-MFKUBSTISA-N 446.532 4.746 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1ccc(C(C)(C)C)cc1 1874399849 DHYAYHAYXUEMDD-STPJHCLOSA-N 436.581 4.875 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1)NC1CCCCC1 1874409444 XRMZWKRMEGKDJO-KOEQRZSOSA-N 439.629 4.824 30 10 IJEE CC(C)COC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1OC(C)C 1874440517 FQLCQFQBRJHDKX-ZMOGYAJESA-N 446.617 4.827 30 10 IJEE CCCOc1ccccc1/C=N/n1c(CCOC)nnc1SCc1ccc(F)cc1 1874471207 IMJZLJXBTDPOLA-BUVRLJJBSA-N 428.533 4.569 30 10 IJEE COC(=O)COc1ccc2ccccc2c1/C=C/C(=O)c1cc(OC)c(Cl)cc1OC 1874587363 JJCPGCKSCXTFCI-MDZDMXLPSA-N 440.879 4.958 30 10 IJEE CC(C)c1cc(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)c2cc(F)ccc2n1 1891282682 VYMFWHHVAJCMOV-UHFFFAOYSA-N 432.499 4.695 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C 1962793762 DTFZFQXTOOMUSQ-QGZVFWFLSA-N 429.399 4.773 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 1963648992 RODUSBREFIRKKG-IIYDPXPESA-N 436.350 4.541 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983972470 WHTAEVBBZJATPU-QRVBRYPASA-N 429.479 4.698 30 10 IJEE C#CCN(CC1CC1)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 1984778775 LOFKRPOGPFWCNC-BCHFMIIMSA-N 444.575 4.812 30 10 IJEE C#CC[C@@H](C[C@H](NCCC)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2020078778 OJGNJBUFZRELLZ-HJOGWXRNSA-N 428.617 4.904 30 10 IJEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCC2)C1 2038664530 DMMCWBVJOGEYEW-NVQXNPDNSA-N 439.600 4.884 30 10 IJEE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C=NO)c1I 2079846307 BHGLOPVYZBHONP-GFCCVEGCSA-N 449.239 4.555 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)c1cc(Br)cc(F)c1C#N 2118154326 YUFCKJCJUNRRQZ-LRDDRELGSA-N 426.330 4.542 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(CC2CCCC2)c2cc(Br)cc(C#N)c2)C1 2174763398 MFYLZKUIRMVCOA-UHFFFAOYSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N[C@]12CCCC[C@H]1CN(c1cc(Br)cc(F)c1C#N)C2 2174823348 ZXFWVYMJRFMINC-RBZFPXEDSA-N 438.341 4.734 30 10 IJEE CCC#C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCCC 2213317542 YPYNMSSGGWPMHV-HSZRJFAPSA-N 427.633 4.718 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]1(NC(=O)OC(C)(C)C)CCCC1(C)C 2235718775 FBCBUWDYKPSWMG-XMSQKQJNSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]([C@@H](N)C#Cc2ccccc2Br)(C(C)(C)C)C1 2235745650 DQINBTNOQWVHCD-PGRDOPGGSA-N 435.406 4.801 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2257345271 YJZPGACXPLVNEE-FSBGXSNOSA-N 448.568 4.900 30 10 IJEE CN(Cc1ccccc1)C1(CNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)CCCCC1 2267116956 QYMZCUMMJIMQOH-HZCBDIJESA-N 440.437 4.810 30 10 IJEE Cc1cc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)ccc1NC(=O)OC(C)(C)C 2269067789 WJQMDGBVQOQALD-UHFFFAOYSA-N 444.312 4.968 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(C(C)C)n2)CCN(C(=O)OC(C)(C)C)C1 2287704448 YVFVSRHWHHOIIX-HXUWFJFHSA-N 440.382 4.945 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)C(F)(F)CCNC(=O)OC(C)(C)C 2296297926 DWCDFGQNFPBORQ-KRWDZBQOSA-N 445.348 4.719 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2317345403 VDOMOMAZCJBPJJ-GOSISDBHSA-N 430.354 4.505 30 10 IJEE CC[C@](C)(CNC(=O)OC(C)(C)C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317357316 WFBNXFGZFDGQOM-HSZRJFAPSA-N 432.370 4.798 30 10 IJEE Cc1ccccc1OCCCc1nnc(S)n1N=Cc1ccc(Br)cc1 2322170724 BQMHNJKWYVXCJU-UHFFFAOYSA-N 431.359 4.532 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1C 2322416120 JYDFRCAJLSBHHJ-UHFFFAOYSA-N 445.515 4.604 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cccc(OCC(=O)NCc3ccco3)c2)c1 2323261892 YHWWIKVPSGLSKP-UHFFFAOYSA-N 449.503 4.668 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c1 2323496234 SVEZHGHDXIEDHT-UHFFFAOYSA-N 432.432 4.517 30 10 IJEE COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 2324455379 BRBBHXWUWHZZLP-MRXNPFEDSA-N 433.460 4.927 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)o1 2325402429 PCURPSPIXBTMAQ-UHFFFAOYSA-N 449.415 4.868 30 10 IJEE COc1ccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1O 2325489382 SDZXWAPRXJEZJN-UHFFFAOYSA-N 448.523 4.897 30 10 IJEE Cc1cc(OCC(=O)Nc2c(F)cccc2F)cc2c1C(=O)C(=Cc1cccs1)O2 2325511293 SJMUOKQSJMNIFW-UHFFFAOYSA-N 427.428 4.968 30 10 IJEE CCCOc1cccc(C=Nn2c(CC)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 2325589643 BMKANNCXPLVNEE-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE CCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 2325604019 OEGSALYKKZTUFY-UHFFFAOYSA-N 446.960 4.694 30 10 IJEE COc1ccc(CCOc2ccc3c(c2)OC(=Cc2cccc(OC)c2OC)C3=O)cc1 2325631316 GWGPAPHWYAEZJR-UHFFFAOYSA-N 432.472 4.950 30 10 IJEE COc1cc(Br)c(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)C(C)C 2325683932 WXIVENACGJCQGF-UHFFFAOYSA-N 448.269 4.823 30 10 IJEE COc1ccccc1OCc1nnc(SCCc2ccccc2)n1N=Cc1ccco1 2328283900 UTHNYGXWEWJODV-UHFFFAOYSA-N 434.521 4.676 30 10 IJEE COc1ccc(CCc2nnc(SCc3ccccc3F)n2N=Cc2ccc[nH]2)cc1 2328577263 FACGYBSTBXQXNV-UHFFFAOYSA-N 435.528 4.714 30 10 IJEE COc1cccc(C=Nn2c(Cc3ccccc3)nnc2SCc2ccccc2)c1O 2330491806 VJHQWMHFRKJABO-UHFFFAOYSA-N 430.533 4.758 30 10 IJEE COc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)cc1F 2331049593 SKKVFZHWMWFJGE-UHFFFAOYSA-N 439.370 4.997 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)C)n2N=Cc2ccc(CC)cc2)o1 2331450583 ATVAYQXUTYFIQS-UHFFFAOYSA-N 440.569 4.983 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cc(C)ccc2O)o1 2331512583 FWEGGSDYVPERAR-UHFFFAOYSA-N 440.525 4.504 30 10 IJEE CC[C@H](N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338514142 WUZKXDFJYBOLMX-DCEDVJGZSA-N 434.433 4.690 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339586315 CXGHLHJDDNNYDE-IBGZPJMESA-N 443.397 4.610 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H](Nc1cc(Br)cc(F)c1C#N)C2 2358598928 FYWPEPJWPNTHPQ-PBFPGSCMSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@H](O)C#Cc2ccc(Br)cc2)C1(C)C 2370362077 HGAMEJFLLIIZRK-BHIYHBOVSA-N 436.390 4.881 30 10 IJEE O=C[C@@]1(Cc2ccc(I)c(Br)c2)CCOC12CCCC2 2377434235 ILFLSORWKQFMSF-HNNXBMFYSA-N 449.126 4.515 30 10 IJEE COC(=O)COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1 708430 WNJAEDJXPOFFGA-UHFFFAOYSA-N 438.520 4.639 30 10 IJEE biogenic Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3C)c3ccccc32)cc1C 3041534 IPCZZZRDOKUHKF-VYIQYICTSA-N 428.561 4.849 30 10 IJEE CCCCOc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1OC 33595629 MZKRQYYRZZYHHR-JIMJEQGWSA-N 441.531 4.864 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1 35024505 LSKPUXCDUWZAEC-UPCLLVRISA-N 443.499 4.944 30 10 IJEE COc1ccc(OC)c(/C=C2/Oc3cc(OCC(=O)c4ccc(F)cc4)ccc3C2=O)c1 35330657 QJXGNODQWFWXQA-WYMPLXKRSA-N 434.419 4.721 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)c1 35515209 CXLMESNLKMBYIQ-QHCPKHFHSA-N 442.446 4.950 30 10 IJEE Cc1ccc(Cn2c(O)c(C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c(C)c(C#N)c2=O)cc1 38624396 ZJBHBHFJGAFQCV-LJQANCHMSA-N 444.531 4.864 30 10 IJEE COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 41287472 PYHWGGVJCJJWAV-MTJSOVHGSA-N 431.400 4.747 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCOc3ccc(Br)cc32)cc1OC 108779642 UNKOKXAWJDBFDF-YXOJNZSOSA-N 444.325 4.676 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccc(C)c2)c1 169973219 PNOLJKJTAHIVQP-JOCHJYFZSA-N 439.471 4.663 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccncc2)cc1 170019981 HNAIEVYXQGLTQR-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3C)[C@H]2c2ccncc2)s1 170022484 VHSLBVQBSCOZHI-SFHVURJKSA-N 439.924 4.900 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1sccc1C 170107874 GQQMTYDHIDEDKC-IBGZPJMESA-N 447.528 4.598 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@H]1c1ccc(N(C)C)cc1 170128833 MZVKAUXREFALFG-OAQYLSRUSA-N 442.943 4.793 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(O)cc2)c1 170132984 ARFPKMURLGAWBB-HSZRJFAPSA-N 429.472 4.882 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1cccc(C)c1 170148383 UQNIMRVHCFSQJW-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccn1 170176300 DBNGWYYPCAZSDH-HSZRJFAPSA-N 428.488 4.960 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccnc2)c1 170190015 MEHZQUKDIXVYRU-QFIPXVFZSA-N 426.428 4.625 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1C[C@H]1CCCO1 170273605 FRZGTJHMRYDLAV-NTKDMRAZSA-N 427.500 4.906 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 170425097 XWJYSJJJXVBRAF-OAQYLSRUSA-N 443.528 4.754 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC(C)C)cc2)c1 170474051 OQWBTIJNOZWBJT-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE CC(C)OC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]2c2cccs2)cc1 170476327 ZBKAJEFQRHEONR-HXUWFJFHSA-N 441.549 4.757 30 10 IJEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCC(=O)c2cccs2)nc2c(C)cccc12 170509441 LTKQDBJZVAYHGR-UHFFFAOYSA-N 429.505 4.572 30 10 IJEE COc1ccc(/C=C\C(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1 206187056 SWLMFCYWOGJENR-UVTDQMKNSA-N 440.451 4.785 30 10 IJEE Cc1ccc([C@H](C#N)C(=O)c2cc(I)ccc2Br)cc1 235913607 DUBKMRBLYTXSKH-AWEZNQCLSA-N 440.078 4.852 30 10 IJEE C=CCN(C[C@@H](Cc1ccc(Br)cc1F)NCCC)C(=O)OC(C)(C)C 406694289 JGUJXUQHMKXWGO-QGZVFWFLSA-N 429.374 4.922 30 10 IJEE CSc1nc(O)c(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1C#N 410099095 YRMRCHXQFFNYMV-UHFFFAOYSA-N 439.434 4.501 30 10 IJEE C=CCCc1ccccc1NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 410343379 FMZBLXJGJJNVJF-OAHLLOKOSA-N 436.371 4.616 30 10 IJEE COc1ccc([C@@H](Cc2ccccc2C)NC(=O)NCC2CCC(C#N)CC2)cc1OC 441001327 SKYJGNWTNIEJKU-YABDQXBESA-N 435.568 4.925 30 10 IJEE CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccccc2SCCC#N)o1 442116448 RBFGNYDVCQJYCE-LPHOPBHVSA-N 425.554 4.786 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1C#N 468812177 CCMVYSGJVITRIZ-SFHVURJKSA-N 427.888 4.693 30 10 IJEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC2(CCCCC2)C1 508480023 CRQPRRKOXXGAOC-UHFFFAOYSA-N 432.572 4.583 30 10 IJEE C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 508794653 LMQBSKYMLKHESP-BVZFJXPGSA-N 434.515 4.769 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(n2c(O)nc3ccccc32)CC1 508807884 DXGLRBNKCGSEHI-UHFFFAOYSA-N 434.931 4.681 30 10 IJEE C=CCn1c(Sc2cc(C)nc(-c3cccnc3)n2)nc2sc3c(c2c1=O)CCCC3 520031656 LUFXBMBNEGPQRN-UHFFFAOYSA-N 447.589 4.834 30 10 IJEE COc1cc(OC)c([N+](=O)[O-])cc1/C=N\n1cnnc1SCc1cccc2ccccc12 526820102 KJUDOJPAMHBBBI-MSXFZWOLSA-N 449.492 4.531 30 10 IJEE CC(=O)c1ccc(C#N)cc1N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 542505659 DHNBETCBXSMRIK-UHFFFAOYSA-N 447.432 4.573 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[S@@](=O)C(CC)(CC)C1 549658544 XUCRPTSZMHMTMA-PKHCJMHPSA-N 444.645 4.739 30 10 IJEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC 567430054 HZPRDCNBJPYUEF-JOCHJYFZSA-N 434.540 4.710 30 10 IJEE C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[C@H](OC(F)F)C1 580484965 ICJTWTBEFTWSDY-SFHVURJKSA-N 426.467 4.528 30 10 IJEE CC1(C#N)CCN(c2nnc(Cc3ccc4ccccc4c3)n2C[C@@H]2CCCCO2)CC1 580777928 NGEDKRNTZIWBHH-QHCPKHFHSA-N 429.568 4.721 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H](C)c1c(C)noc1C)c1ccc2c(c1)OCO2 599474580 GMLPFLRZFKGQOY-MRXNPFEDSA-N 434.492 4.922 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 609686931 HIJJXIRFFMRKMM-GOSISDBHSA-N 448.445 4.590 30 10 IJEE COc1ccccc1[C@H]1CCCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 615074395 ABAMSFCTWFPCMO-QETWGEEDSA-N 434.540 4.589 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Br)c(Br)c1 698822635 BRQVTIKEGYHDFG-CQSZACIVSA-N 428.124 4.647 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)[C@H](C#N)c1c(Br)cncc1Br 698827724 YDSGAHFFRWDQPI-CYBMUJFWSA-N 445.155 4.818 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1ccc(F)cc1Br)C2 712728399 VBWQATRYHGXJIH-HOTGVXAUSA-N 426.326 4.878 30 10 IJEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 731831567 KVPQPXWKOCUQEE-GOTSBHOMSA-N 426.944 4.587 30 10 IJEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(NC(=O)c2cccs2)cc1 735333975 CTEMIRFPNOVYIX-UHFFFAOYSA-N 426.881 4.913 30 10 IJEE C/C(=C/C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 742606368 JFLAFWDILPXHPY-BZPDREMPSA-N 445.466 4.521 30 10 IJEE N#C[C@@H](C(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nc2cc(Cl)ccc2s1 753920796 LLDPDGIKJMQQGO-INIZCTEOSA-N 437.908 4.592 30 10 IJEE COc1ccc(/C=C(/C)C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1F 755584413 WBMFRJSCESAYOM-LMRWQKIVSA-N 437.496 4.703 30 10 IJEE Cc1ccc(O)c(Cl)[n+]1/C(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)=C(/O)c1ccc(C#N)cc1 777513340 UJCKPICUQMCANQ-RYQLBKOJSA-O 440.976 4.503 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 794894534 YUOHSHCBOPLZBU-OAQYLSRUSA-N 436.483 4.800 30 10 IJEE O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1083977357 HHYJFDVMDIHQTN-VUEDXXQZSA-N 441.314 4.713 30 10 IJEE CCCCOc1cccc(NC(=O)CSc2n[nH]c(NN=C(C)c3cccs3)n2)c1 1084140458 WEWHNAYUBWAZDR-UHFFFAOYSA-N 444.586 4.612 30 10 IJEE Clc1ccc(-c2nnc(CSc3n[nH]c(NN=C/C=C/c4ccccc4)n3)o2)cc1 1084621844 XUNGEXNRBUSQSD-RZYMIGHKSA-N 437.916 4.912 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 1125779038 ZXBCSBFVYUVLOO-OAQYLSRUSA-N 428.557 4.933 30 10 IJEE CN(C)c1ccc(-c2cncc(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)c2)cc1 1128369165 ANMKCIFTAUHDKQ-UHFFFAOYSA-N 426.398 4.837 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)COc2ccc(Br)cc2F)C(F)(F)F)cc1 1128971243 QIUJDABXYGLXPZ-QGZVFWFLSA-N 431.179 4.795 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(/C=C\c4ccc(OC)cc4)cc3)cc2C1=O 1129323053 IVTIZWPYDAZZHC-PLNGDYQASA-N 439.467 4.867 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cnc(Oc2ccccc2)cn1 1129588253 FLHCTISBIIOIAU-UHFFFAOYSA-N 426.270 4.849 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 1129588989 SLJPJAQMGFRDAX-UHFFFAOYSA-N 438.325 4.941 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2ccccc2F)cs1 1139227783 XQJLCWQDGQNWMF-OAHLLOKOSA-N 439.940 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1142543874 GVPSOIGFVFIGNS-QGZVFWFLSA-N 436.512 4.721 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CCCN1C(=O)OC(C)(C)C 1149317352 JQVJAWYWUBJRFL-JLCFBVMHSA-N 432.952 4.739 30 10 IJEE C=CC1(CC(=O)N2CCC[C@H]2c2ccccc2Br)CN(C(=O)OC(C)(C)C)C1 1149759622 VMBDHSULZZRSJC-SFHVURJKSA-N 449.389 4.926 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)OC(C)(C)C)c1ccccc1 1158670660 WLOMTKYNJDVPQI-ROTAYESASA-N 440.565 4.901 30 10 IJEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3c(Cl)cccc3Cl)nnc12 1188022716 VDPCJOQBXFYSKD-UHFFFAOYSA-N 445.331 4.512 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 1188620485 LLBUKZOOTZUEII-IBGZPJMESA-N 442.947 4.745 30 10 IJEE C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(F)c(Br)c1 1203298355 FIRKQTGPTOGHFG-LLVKDONJSA-N 446.255 4.667 30 10 IJEE C=CCOc1ccc(CNC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1OC 1204127297 CSQCJXPVCUHIEW-LJQANCHMSA-N 449.391 4.819 30 10 IJEE COc1ncc(NC(=O)NC2(c3ccc(Br)cc3)CCCCC2)cc1C#N 1220041894 DBLZDLMQDLDPNF-UHFFFAOYSA-N 429.318 4.705 30 10 IJEE C=CCc1cc(CNC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 1225349698 BFMWJYYJOSLFAF-XMMPIXPASA-N 446.547 4.632 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCSC(F)(F)F 1286456208 OIWWEHXSWNBQNP-KRWDZBQOSA-N 442.482 4.552 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286578525 FNHIYBAJPNLDFK-HNNXBMFYSA-N 442.658 4.666 30 10 IJEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1286664896 LFZWTOXVMYBKSH-QPPBQGQZSA-N 438.616 4.897 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OC)C1)c1ccccc1 1286677766 JGVUOAZSJBAVPM-RTWAWAEBSA-N 437.975 4.969 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286688728 YUYHAESWZJCBBH-PZJWPPBQSA-N 429.634 4.821 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2ccccc2C(C)C)C1 1286801481 CESSSYDUORYWTI-FQEVSTJZSA-N 436.556 4.830 30 10 IJEE CC(C)(C)Oc1ccc(Cn2c(-c3ccccc3)nnc2N2CCC(CC#N)CC2)cn1 1287073276 BXYCARVSXRDZTM-UHFFFAOYSA-N 430.556 4.696 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCC(C(F)(F)F)CC1 1288513265 CXYHHZYJFNMPNC-DMKPSLHHSA-N 430.478 4.924 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC2(C3CC3)CCC2)c1 1288766418 RLHALVBVRAFMBK-UHFFFAOYSA-N 444.984 4.784 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC[C@H](F)C2)cc1OC 1296750719 IFLVSPPEUDDYDJ-YIGJPRQDSA-N 441.551 4.621 30 10 IJEE C#CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@@H](C)c1nccs1 1300357928 BUQVXDBUAKXQNA-GOSISDBHSA-N 432.597 4.937 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](CCOC)C1 1300385742 DIMBLIABAUAVIH-LJQANCHMSA-N 435.597 4.653 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC(C)(C)OC[C@@H]1C 1300386768 VFFLADZGARBPTL-KRWDZBQOSA-N 435.597 4.794 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@](C)(C#N)C1 1300392227 OWTUMPFRHQZNOT-RUZDIDTESA-N 429.524 4.661 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nc(C)c(C)s1 1300602817 UJACLVKZXXPYOY-HNNXBMFYSA-N 429.977 4.653 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1300876634 UTIRABAPGOYOGV-ZJOUEHCJSA-N 430.618 4.630 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCc1sccc1C 1300906221 KRFLHWKJKSSJHX-UHFFFAOYSA-N 426.586 4.977 30 10 IJEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1300944245 FQXBODNSIJKSMF-UHFFFAOYSA-N 446.555 4.826 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1301027309 PARMACTUDGNMLL-GHTZIAJQSA-N 444.023 4.781 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1301096093 WOMLWSVNMYJHHJ-QHCPKHFHSA-N 449.599 4.998 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(C)CCCO2)CC1 1301114408 SATNAHDZZGXVIT-QFIPXVFZSA-N 445.405 4.988 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@@H]2CCOC2)CC1 1301134224 GIKHNSBEZYVODS-OAQYLSRUSA-N 438.616 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](c3ccc(F)cc3)C2)nnc1[C@@]1(OCC)CCOC1 1301158512 HUNSRMZDUWOWNN-CJFMBICVSA-N 442.579 4.666 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1301218828 VTRKJLPETFYNBO-FGZHOGPDSA-N 434.588 4.737 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](OC)c1ccc(Cl)cc1 1301309616 GUCVDAZDRKDKRK-VAMGGRTRSA-N 432.996 4.860 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1301360228 YGHQNGYDBYFJOD-OAQYLSRUSA-N 447.029 4.721 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)COC 1301365111 HHAFYMZNACPOSB-DFQSSKMNSA-N 432.634 4.733 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1301529260 KJPTVZOIPXWZNB-VQIMIIECSA-N 443.473 4.588 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1CCC(C(F)(F)F)CC1 1301959500 HPLSGLCESHYNFT-LYGPFTKASA-N 430.478 4.781 30 10 IJEE CC(C)CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCS2)cc1 1303094098 CZLBWHXIGPUUIS-REWPJTCUSA-N 443.592 4.708 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2cccc(Br)c2)C1 1307778794 HLQHSHLZOWSRJX-HIFRSBDPSA-N 444.398 4.687 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)N2CCc3cc(Cl)cc(Br)c3C2)cc1 1310170493 JPSJJHKCOGKYDA-UHFFFAOYSA-N 448.748 4.609 30 10 IJEE C[C@@](NC(=O)N[C@@H](CO)c1ccccc1C(F)(F)F)(c1ccc(F)cc1)C(F)(F)F 1311269805 GSBRUXRBCWWOBE-DOTOQJQBSA-N 438.343 4.655 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1312049549 FEXGRMCELHPCOL-CZUORRHYSA-N 438.391 4.568 30 10 IJEE C#C[C@H](NC(=O)N(CCC)CCOc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCO1 1312541591 JQMIXFLISNPQJM-DLBZAZTESA-N 433.763 4.628 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 1312600715 DZLUKPDQQLNWBR-HXUWFJFHSA-N 439.357 4.621 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1cc2c(C)cc(=O)oc2cc1OC 1348451192 WYSMZOIWHXVEJA-UHFFFAOYSA-N 431.941 4.972 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2cc(Cl)cc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1351886581 PWBXNLYOACCJRM-NRFANRHFSA-N 427.372 4.998 30 10 IJEE C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1352479152 ANFJDMBYWDWDDQ-WNSKOXEYSA-N 434.879 4.958 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(Br)c(F)cc1C 1352522556 SMWAJXMWHFIKSU-UHFFFAOYSA-N 437.261 4.640 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(OCC#N)c1)c1ccc(C(F)(F)F)cc1 1354077364 ABMODLYEXZFVSX-GOSISDBHSA-N 449.429 4.812 30 10 IJEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(Oc2ccccc2)c(F)c1 1355211984 BIYLVKARWWWWBM-YLJYHZDGSA-N 443.478 4.720 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)Cc1cccs1 1358871052 ZEOKMQNBLNSMRZ-APWZRJJASA-N 435.597 4.545 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCc1ccsc1 1358879694 WTQPCVJDYWCRHN-HNNXBMFYSA-N 429.387 4.778 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1358907329 LBLBCHKXTFOZHP-GUYCJALGSA-N 444.860 4.697 30 10 IJEE C#CCCCCn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@]1(OC(C)C)CCOC1 1358917583 VIZSEEPBSBGVOH-KOSHJBKYSA-N 446.542 4.598 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC(F)(F)C1 1358970125 GHFGATVEZZEKTQ-NRFANRHFSA-N 447.533 4.861 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@H](C)c1nc(C)cs1 1359016364 ACONYXOQHFFOAY-KRWDZBQOSA-N 425.577 4.824 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCc1ccccc1C(F)(F)F 1359115171 NNWRBNQOKSEQQG-UHFFFAOYSA-N 429.490 4.928 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1359153497 ICJMXHDJQWWXKZ-UHFFFAOYSA-N 435.963 4.653 30 10 IJEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCSc2ccccc2)CC1 1359160383 SNJRFNACHBGXBN-DEOSSOPVSA-N 442.629 4.658 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOC2CCCCCC2)CC1 1359175204 CQYQOBMYOKBQEL-UHFFFAOYSA-N 439.560 4.995 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OCCC)CC1 1359179759 FFYYMHXGPVQEBO-UHFFFAOYSA-N 435.547 4.643 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1359243874 HSLSKJXWBGDGMS-OZXSUGGESA-N 438.616 4.982 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCc1cc(C(F)(F)F)ccn1 1359256820 QTEKCQASOPZCBH-UHFFFAOYSA-N 440.473 4.561 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1CC1CCOCC1 1359261822 XDMWHJKNXVJGEH-UHFFFAOYSA-N 426.561 4.689 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@@H](C)C1 1359270294 JVSYWGUWXMUOTJ-WOJBJXKFSA-N 446.599 4.680 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 1359308247 IJXREEJPTNLLKW-FQEVSTJZSA-N 437.613 4.911 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2c(C)coc2C)C1 1359324384 KCZIIXDZXXUXPS-NRFANRHFSA-N 436.556 4.513 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccccc1OC 1359341048 KFPDMGLLDQFPGN-OAQYLSRUSA-N 435.597 4.918 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1359343425 SSRAKUOYLZFILI-OAQYLSRUSA-N 440.657 4.958 30 10 IJEE C#CCN(C(=O)[C@H](OCC)c1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1360311424 UYJYSUOTULCASS-TZIWHRDSSA-N 428.326 4.512 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)NCc1ccc(OC2CCCCC2)cc1 1360491476 ANDARHKUVDXJLX-UHFFFAOYSA-N 443.341 4.727 30 10 IJEE Cc1cc(Br)c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1Br 1436117785 HCUQUKBATVGYJC-QGZVFWFLSA-N 434.131 4.809 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1n[nH]c(C)c1C 1443234416 BFNGYELNFHGGRJ-HSZRJFAPSA-N 444.535 4.839 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCCC)C3CC(C)(C)NC(C)(C)C3)n[nH]2)c1C 1443591364 OXFVCFMHOCNQTG-UHFFFAOYSA-N 440.636 4.628 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 1443781315 RGUSTZQUPREPSX-FQEVSTJZSA-N 437.540 4.872 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1OCC 1450329484 REHBUMCZWCAAQS-PMACEKPBSA-N 444.572 4.568 30 10 IJEE C=CCC(C)(C)C(=O)N1C[C@H](C[C@@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1462976657 NFUZXFMQWINQSS-RBUKOAKNSA-N 428.573 4.745 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCCCOC)c1ccc(F)c(F)c1 1463550640 DYKOLBMHNLUGEC-HXUWFJFHSA-N 445.915 4.629 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 1463922237 SWOIABHDEOTDOG-OFNKIYASSA-N 432.520 4.945 30 10 IJEE C=CCOc1cccc(NC(=O)N[C@@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)c1 1465380991 CODPOAXGHJRGOA-SFHVURJKSA-N 438.402 4.576 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1OC 1466290661 IHOHNTDGQGYAPH-RGFVMQALSA-N 431.536 4.864 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1ccc(I)c(Cl)c1 1467404786 KJGHASGZMGPCGD-UHFFFAOYSA-N 430.673 4.800 30 10 IJEE C[C@@H](O)[C@](C)(CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 1467801949 BUJCXVVBJAIZEZ-DWXRJYCRSA-N 432.495 4.849 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC[C@H]1[C@H](C)n2nccc2N[C@@H]1C 1468869285 WVWDZBBOLVDVQB-IJEWVQPXSA-N 433.350 4.621 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)c1 1476244590 SCJLDYMZOXWFTE-UHFFFAOYSA-N 437.297 4.680 30 10 IJEE C#CCN(C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CCCc2ccccc21 1477478050 KVUDLLPJRWECLH-IZZNHLLZSA-N 431.580 4.555 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@H](F)C1 1504876694 AKSOQYVAFIQHHX-FPOVZHCZSA-N 437.519 4.509 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@](C)(O)CCC(C)C 1507516326 KLDGUMDPPCZZSA-OWHZGTRUSA-N 426.605 4.680 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCCS1 1507521111 KPEHVSWXECAADJ-HIFRSBDPSA-N 437.382 4.590 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1CC1(N2CCSCC2)CCCC1 1507826137 GUNVFVYCJHMLGX-UHFFFAOYSA-N 445.702 4.694 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCC(CCC(=O)N(CC)CC)CC1 1507859651 CHEXNFPSYDIJEI-UHFFFAOYSA-N 447.986 4.702 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1507878494 KMUXNLSKZOJXMR-FQEVSTJZSA-N 425.577 4.571 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1507892792 ZRLMEBAFZLEZNX-VQTJNVASSA-N 442.629 4.941 30 10 IJEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1507929707 UFAOROJLTWKSIM-FQEVSTJZSA-N 441.595 4.568 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1507949076 ACGGPISAEWBRLM-UHFFFAOYSA-N 449.643 4.618 30 10 IJEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H]1CC)C1CC1 1507991373 OEHHFGZRLJLVJN-RBUKOAKNSA-N 442.007 4.843 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CCCCC1 1508007243 WUKZYQRPEPUPJK-QHCPKHFHSA-N 425.602 4.859 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1c(C)nn(C)c1C 1508009928 FQZDPYWLJBVXSS-OAQYLSRUSA-N 434.588 4.612 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(CC)CCC2)C1 1508110510 TYGSMUYDTQMRGY-OAQYLSRUSA-N 437.588 4.509 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2C[C@@H](C)Oc3ccc(Br)cc32)cc1OC 1519634045 DOCKFBGOJANALC-WCLQSUPFSA-N 444.325 4.850 30 10 IJEE C#CCOc1ccc(COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 1521612562 UJLLVFKBGYNBTN-RDGATRHJSA-N 445.540 4.906 30 10 IJEE CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc(C#N)s2)cc1 1524475763 HWOGFFYHQBWAQH-LJQANCHMSA-N 425.554 4.616 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c(C(=O)OCC)c1C 1525887241 COSXRTSTBYRWQB-UONOGXRCSA-N 433.551 4.688 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 1530672241 ADQIWIFLESVPET-MGPUTAFESA-N 445.441 4.928 30 10 IJEE CC(C)(C)OC(=O)c1c(F)ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1Cl 1530850489 GEMNMANXENDCCG-UHFFFAOYSA-N 440.862 4.744 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 1531957888 GFXVONWRLMANTA-NRFANRHFSA-N 439.559 4.715 30 10 IJEE C=CCCC1(CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)CCCC1 1532340420 KBFHVSOGVCNXJV-HSZRJFAPSA-N 445.560 4.978 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)C(F)(F)F 1533315476 CUDZNGDEGKISHD-OAQYLSRUSA-N 442.441 4.887 30 10 IJEE C=CCc1cc(CNC(=O)C2(Cc3ccccc3Br)CC2)cc(OC)c1OC 1535674075 JVOAZPWWHLWRPA-UHFFFAOYSA-N 444.369 4.834 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2cc(OC)ccc2Cl)no1 1535777876 AOGIQAIHVQCCIK-UHFFFAOYSA-N 432.867 4.753 30 10 IJEE Cc1ccc(-n2ncc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c2C(C)C)cc1 1537809273 DANUWFPJRFWGQA-UHFFFAOYSA-N 441.579 4.570 30 10 IJEE C#CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCCc2ccccc21 1538323871 MXSFFFCFTRDJNO-JOCHJYFZSA-N 434.337 4.788 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1CC12CCC(CC1)C2 1538983901 YTVLZXSEZIBDIV-HOKUHMFPSA-N 443.389 4.754 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCNc1ncc(Cl)cc1Cl 1538987712 VWLSHIVHSWCFRP-CYBMUJFWSA-N 449.773 4.870 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1539002350 CGFPJKVVEXTYKV-BGWNEDDSSA-N 429.568 4.583 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1CC 1539391791 ICEWTPSURHABIU-DHIUTWEWSA-N 448.590 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1539617560 XGNHAVSIAWOWAO-HJOGWXRNSA-N 433.600 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1539617562 XGNHAVSIAWOWAO-SMIHKQSGSA-N 433.600 4.713 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1539688893 UTGUGZOMZBUGAK-ROUUACIJSA-N 426.561 4.564 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1539855874 LABJRDYYZNCUKI-JOCHJYFZSA-N 437.632 4.832 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCCOC2)CC1 1539882265 HZMWSTPMKIAFRE-HXUWFJFHSA-N 440.588 4.572 30 10 IJEE C=CCCCCn1c(N2CCSC3(CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539975254 PRKWMMPPMFJIHR-DEOSSOPVSA-N 448.677 4.931 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1539992386 ZXXXMHHECHPUHQ-SZPZYZBQSA-N 437.632 4.545 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc2c(s1)C[C@H](C)CC2 1540077125 HYDGXFJAKVGRDT-OAHLLOKOSA-N 428.005 4.774 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3cc4cccc(OCC)c4o3)n[nH]2)c1C 1540502320 SZXVDGLXZQAROM-AWEZNQCLSA-N 433.512 4.712 30 10 IJEE COc1ccc(C2(CNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CCCCC2)cc1 1543680505 AZCZQUOZAONVCT-UHFFFAOYSA-N 449.570 4.941 30 10 IJEE C=CCn1c(SCc2cc(OC)c(F)cc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O 1559329057 XTLCBPZYSYXMCE-UHFFFAOYSA-N 435.502 4.609 30 10 IJEE C=C(C)[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)c1ccc(F)c(F)c1 1561486689 DGDQUNKTPRQHSR-MRXNPFEDSA-N 436.705 4.976 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1563061417 XMDNVMGNIDKWDQ-HBMCJLEFSA-N 427.545 4.710 30 10 IJEE CCCc1c(NC(=O)Nc2ccnc(C(=O)OC(C)(C)C)c2)cnn1-c1cccc(C#N)c1 1563282826 AAZQOUPDCUVGGS-UHFFFAOYSA-N 446.511 4.691 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cc(Br)c(OC)c(OC)c1)c1ccccc1 1563891363 XDNHTEUGBZACRI-SFHVURJKSA-N 433.346 4.973 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCC2(CCC2)O1 1565421794 JVVNUWHASDWDKR-QGZVFWFLSA-N 425.342 4.778 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)CCCN1C(=O)OC(C)(C)C 1566286517 FDAFSXPZJDNSLT-QHCPKHFHSA-N 426.517 4.795 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N[C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 1584239714 VEYUPKFFFKDYKJ-PXDATVDWSA-N 426.557 4.751 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)nnc1-c1ccc(Cl)cc1Cl 1586384972 LBQWIWSTNXGMRE-KKUMJFAQSA-N 449.407 4.858 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)c1ccc(F)cc1Cl 1586932547 FGMUXBYVLSBNCL-UHFFFAOYSA-N 441.684 4.554 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCc2ccccc21 1587574413 HDZLWXWHWGVREW-DOTOQJQBSA-N 438.373 4.614 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1nc(C(C)(C)C)cs1 1587603975 QUJMOHBHCZKVRD-INIZCTEOSA-N 430.581 4.754 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1587705489 FFYCOPIXYHKCGS-GOSISDBHSA-N 428.552 4.755 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC[C@H]1CCCCO1 1588560170 NZQZPPSFZYQDJL-JOCHJYFZSA-N 438.572 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C)CC1 1589495792 UDXFZZHDAQLQBQ-IPJJNNNSSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1589546442 QVTHEOLSFSNBIQ-NFBKMPQASA-N 442.579 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCC(C)(C)C1 1589676151 MXGUHPTWJWTNNN-UHFFFAOYSA-N 434.632 4.806 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H](OC)C(C)C)CC1 1594070761 LWVMXMOZDGIMOU-QFIPXVFZSA-N 428.577 4.570 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)c2c(C)noc2C)CC1 1594246949 BTKJVCMBKIWQFQ-KRWDZBQOSA-N 435.572 4.688 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OCC(F)(F)F)CC1 1594437913 PHZDRTMIBJIUQJ-LJQANCHMSA-N 436.478 4.521 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C#N)CC1 1594455165 NCSJJIJJESWDLV-UHFFFAOYSA-N 431.382 4.768 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](C(C)C)C1 1594497671 LTYPNGRLKKBESU-LEWJYISDSA-N 442.629 4.971 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1594582196 NKFWUICBCYYQQS-HSZRJFAPSA-N 448.615 4.701 30 10 IJEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCC(C(F)(F)F)CC1 1594824854 RSGIFRSQNYNXLN-UHFFFAOYSA-N 438.494 4.537 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1595879442 WFPWXDNVLCHGHW-QFIPXVFZSA-N 425.646 4.960 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1595900620 HEDKZPREZVZIGG-GHTZIAJQSA-N 444.670 4.802 30 10 IJEE C=CCn1c(SCC(=O)N[C@H](C)c2cnc(C)s2)nnc1-c1ccc(Cl)cc1 1596446028 AAJZYCIQCSOUMT-GFCCVEGCSA-N 433.990 4.519 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 1596960629 DZQBPZWXOJYOIO-FIRPJDEBSA-N 430.976 4.946 30 10 IJEE CC(C)CN1CCC[C@@H](Cn2c(C3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)C1 1607454598 AYLMVBYKAMEOQQ-HSZRJFAPSA-N 434.632 4.812 30 10 IJEE CC[C@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 1611456652 HUZDEYARRYKBQF-QFIPXVFZSA-N 429.486 4.851 30 10 IJEE N#Cc1ccccc1-c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 1618201465 CNNDXJAIAKKVDF-JOCHJYFZSA-N 425.301 4.950 30 10 IJEE Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)c2ccc(F)cc2Cl)cc1 1621775232 ATLQBEAVNOMIFI-OAQYLSRUSA-N 432.879 4.866 30 10 IJEE CC(C)(NS(=O)(=O)c1ccc(Br)c(C#N)c1)c1ccc(C(F)(F)F)cc1 1622501900 BLILYQIIZYDBNU-UHFFFAOYSA-N 447.276 4.553 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1622944695 AFEXGZDKHZDOGD-GETVMMFXSA-N 446.617 4.536 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1624852814 GMEVVRNHMJMUPF-IBGZPJMESA-N 428.517 4.636 30 10 IJEE C=CCN(C)CCN(CC)C(=O)c1cccnc1SCc1cccc(Br)c1 1626744250 ARISHPKUHWEDLI-UHFFFAOYSA-N 448.430 4.716 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)C(C)C 1628249488 XLAFFOIUHNOHKO-KRWDZBQOSA-N 433.312 4.896 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(C)C 1628517365 QRUHQLJSNIYWBP-RXVVDRJESA-N 440.415 4.855 30 10 IJEE N#Cc1cccc(OC2CCN(C(=O)CN(Cc3ccccc3)c3ccccc3)CC2)c1 1628600427 CSRIVDDSGUHVFN-UHFFFAOYSA-N 425.532 4.635 30 10 IJEE CCc1ccc([C@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c2cccc(F)c2)cc1 1628773304 DDBYFTJIJDQYAU-ZCYQVOJMSA-N 444.510 4.607 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2ccsc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1640555861 AUAVDZOBPNPEAW-SJCJKPOMSA-N 446.619 4.837 30 10 IJEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1Cl)C(C)C 1641513488 IWAXFPPZGMIFQS-QFIPXVFZSA-N 447.000 4.871 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N(C)CC2(c3ccc(Br)cc3)CC2)CC1 1641837471 CBHJYQYFEDBWKN-OTQYULQBSA-N 446.433 4.732 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CN2CCN(C3CC3)c3cc(F)ccc32)ccc1Cl 1645347515 CUSKQSXOYNODBC-UHFFFAOYSA-N 426.923 4.523 30 10 IJEE C#CCN(C(=O)c1cccc2c1ccn2CC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1651973783 WIFPKULEVATDCN-UHFFFAOYSA-N 437.584 4.772 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)NCC2CCCCC2)nc2sc3c(c2c1=O)CCCC3 1656067264 PZYIHGQPQUGHBP-HNNXBMFYSA-N 445.654 4.700 30 10 IJEE CCC[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccc(F)cc1F 1660895503 GYXIYGQZRZFFLD-MRXNPFEDSA-N 447.276 4.558 30 10 IJEE N#CC1(CNC(=O)NC[C@H](c2ccc(Cl)c(Cl)c2)N2CCc3sccc3C2)CC1 1665559005 FVOTYZDUNSDTKN-GOSISDBHSA-N 449.407 4.757 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)c(OC)c1)c1ccc(Br)cc1 1669610354 RJHFVRHGJWDGBI-OAHLLOKOSA-N 427.220 4.973 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC[C@@H](N2CCCC2=O)CC1)c1ccc(C(F)(F)F)cc1 1670826608 JASSYYNKNVVPOH-WOJBJXKFSA-N 437.506 4.899 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](CC(=O)OCC)c3ccccc3Cl)cc21 1673311643 KLADRCMGZBUNKP-LJQANCHMSA-N 426.904 4.692 30 10 IJEE Cc1cccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)c1OCc1ccccc1 1675036180 ICXUZDFZMBGIEZ-UHFFFAOYSA-N 426.520 4.800 30 10 IJEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)C(C)(C)C 1675399032 MILURNPUBXYKTO-FPOVZHCZSA-N 430.017 4.848 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccccc1 1678040075 MHQMCLLYLHDWNF-DHIUTWEWSA-N 427.976 4.720 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1 1679563131 MTFHUDGVCYQVCT-GOSISDBHSA-N 445.995 4.953 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 1680532507 CSEIUFTZCVYYJB-MXVIHJGJSA-N 445.394 4.884 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 1682684548 UHHXRNRHDCTDHL-QVAUAOJNSA-N 447.988 4.810 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 1683815229 UJBAEERKROXQPG-MYGLTJDJSA-N 427.589 4.824 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 1684504815 AYZIXFSPCDRGHE-RUZDIDTESA-N 437.632 4.997 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 1685661986 VWWCFKUSBOQGOX-QFIPXVFZSA-N 435.886 4.905 30 10 IJEE C=C[C@H]1CCCCN1C(=O)NCCCCN(OCc1ccccc1)C(=O)OC(C)(C)C 1686807781 KJMUHJKKEDEDSM-NRFANRHFSA-N 431.577 4.886 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1690066957 OWUOIDZTYVWZTI-KRWDZBQOSA-N 445.995 4.561 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccccc1OCC(F)(F)F 1690206446 RHPWKPGCZKUGPJ-JOCHJYFZSA-N 434.506 4.848 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCc1cccs1 1690243545 LZZPFIDLGVTDOA-XMSQKQJNSA-N 438.597 4.675 30 10 IJEE C=CC[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1690447888 ZGPRRKVOGLTXGQ-XZOQPEGZSA-N 449.643 4.722 30 10 IJEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1690482948 DZJRPZIGJADKGQ-GCJKJVERSA-N 445.558 4.647 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]1CC 1690500330 RGVOCZGYKCJVIU-CQSZACIVSA-N 425.396 4.741 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCc1nc(C)c(C)s1 1690565866 VWRKCWVISGZMIU-NRFANRHFSA-N 437.613 4.681 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C)c1 1690585617 POAOKDHIPZMODH-UHFFFAOYSA-N 426.362 4.581 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1Cc1ccccc1Cl 1690609488 QAOHJVPVVIRYSB-UHFFFAOYSA-N 433.943 4.794 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2CC(C)(C)C2)C1 1690688164 PTVXNYRTXATTPT-LJQANCHMSA-N 432.515 4.764 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(Cl)cc1F 1691010376 GKZXDPXBIYKIND-POZUXBRTSA-N 433.959 4.633 30 10 IJEE C[C@H]1C[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N(CCC#N)CC2CC2)C[C@@H](C)O1 1693578456 DAEOMNVAJKBCEJ-IZZQQSIFSA-N 427.980 4.932 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nccc(C(F)F)n1 1705482017 QVMYJKRYUPPLEY-AWEZNQCLSA-N 442.539 4.509 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCCCC1(F)F 1705486001 UTFNLZVGNWJMAR-WMZOPIPTSA-N 432.515 4.636 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 1705536210 CUAMWLHBSWDSKG-UHFFFAOYSA-N 428.527 4.750 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705787769 CZKZZTIWPIEIHV-OAQYLSRUSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(F)F)C1 1705794025 SANGUMHGVHHOFO-KRWDZBQOSA-N 428.531 4.600 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705813381 FOZOUFSCIGVKLO-MRXNPFEDSA-N 436.387 4.713 30 10 IJEE C=CCCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCS[C@@H](C(C)C)C1 1705826301 ARONEXVDDNBPRD-OAQYLSRUSA-N 426.586 4.862 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C1CCCCC1)N(C)C 1705835798 UQKQWPMISCKLEI-FQEVSTJZSA-N 446.437 4.840 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)c2nc(C)cs2)C1 1705916574 LMAOHNDIGMZBMI-KXBFYZLASA-N 444.004 4.948 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(F)(F)F)C1 1705920939 IQCHRLGFWOTCRH-KRWDZBQOSA-N 445.489 4.863 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCc2cc(OC)ccc21 1722281152 HNZINJSMLPIPJG-QFBILLFUSA-N 435.959 4.580 30 10 IJEE C#CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@H](C(C)C)C1 1722320657 GGZGQXCZTSUCAT-FQEVSTJZSA-N 433.021 4.892 30 10 IJEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(Cc1ccco1)Cc1cccs1 1722460583 YODXTLFRFIPNOJ-FQEVSTJZSA-N 442.610 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCc1ccccc1C(F)(F)F 1722469663 DMFQFNDALNLXBG-JOCHJYFZSA-N 425.458 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1722511939 RHTYASDFCURNIF-IBGZPJMESA-N 443.592 4.659 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cccs1 1722516886 HJNAXMFJXPKNFM-SFHVURJKSA-N 431.606 4.862 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CC(F)(F)CO2)CC1 1722564675 SIGVIPGDNBTWBL-MOPGFXCFSA-N 432.515 4.616 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1722582044 GYYAMWOGQFBWNC-XYEHWOGUSA-N 442.579 4.878 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1722587254 IGFZXCCPOAWHBY-WTPASJBYSA-N 437.613 4.877 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@](C)(OC)C1 1722606846 IPQIOLSGOPXFIK-FQEVSTJZSA-N 437.357 4.818 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722667979 KIBWGCIPVNCUPX-LJQANCHMSA-N 439.604 4.941 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H]2CCC[C@H]21 1722733877 PTWFTVTZLBZEBZ-SJLPKXTDSA-N 433.419 4.924 30 10 IJEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(C)C)CC2)ccc1OC(C)C 1729961331 DZBDJKOCYRKVOV-SFHVURJKSA-N 425.577 4.915 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ccnc(SC)c1 1740559307 ZWUGSLLBUZOZCS-IBGZPJMESA-N 449.624 4.912 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740602275 IXABXKUTXKDRKV-ROUUACIJSA-N 442.489 4.773 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCc1csc(C(C)(C)C)n1 1740651584 JIYRPINCILMFQR-UHFFFAOYSA-N 435.572 4.544 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)CN1CCCCC1 1740768204 HBKXWRNCZJMDAN-KRWDZBQOSA-N 449.441 4.560 30 10 IJEE C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740785273 SIXHCLISLPRBBN-HSZRJFAPSA-N 430.618 4.797 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCN(C)[C@@H](C)CC)CC1 1740819483 RTPULNBGCQHCTR-KRWDZBQOSA-N 432.410 4.594 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)C1 1740852131 JDGNGKJEGHHNEM-ROUUACIJSA-N 449.665 4.894 30 10 IJEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(c2nccs2)CC1 1740878775 VQDKNMQHGICUBQ-UHFFFAOYSA-N 437.613 4.879 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740881823 RIYOSHHPWMCOIH-VGSWGCGISA-N 449.020 4.574 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1Cc1cc(COC(C)(C)C)on1 1740916480 OJTHXDVZBDLPPA-UHFFFAOYSA-N 446.555 4.571 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCc2nccn2C1 1740926056 QOTNHJCUBFQTFP-YADHBBJMSA-N 446.599 4.672 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1CCOc1cccc(C(F)(F)F)n1 1740929375 RMFVQIZDCOOUOH-UHFFFAOYSA-N 443.473 4.925 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1740931389 LCMDHURVIYELMJ-UHFFFAOYSA-N 435.616 4.720 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCCc2cc(OC)ccc21 1740941854 VDTARCHAIXZKJK-FQEVSTJZSA-N 426.605 4.634 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N(C)[C@H]2CCCc3c2cnn3C)cc1 1740966577 UGIVZFSXXFUGNV-AVRDEDQJSA-N 434.588 4.652 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(Cn3ccc4ccccc43)n2CCSC(F)(F)F)C1 1741987535 FIMFGMZBDKAUTC-FQEVSTJZSA-N 448.518 4.664 30 10 IJEE CCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(C)C)CC1 1745825532 CSGDPIAJFWREGX-UHFFFAOYSA-N 444.583 4.921 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1ccco1)N(CC)CC 1748665827 VKBPAJNWHLCRQF-AVRDEDQJSA-N 430.556 4.560 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1748736827 SEEFOTFUYBZAQG-FGZHOGPDSA-N 436.600 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccccc1CN(CC)CC 1749072332 LQLCSKCDNAWKNJ-AREMUKBSSA-N 447.652 4.813 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCCC[C@H](SC)C1 1749124966 RWMPGWYNWKIVOK-WFXMLNOXSA-N 430.593 4.787 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)c1cc(OC)cc(OC)c1 1749131985 WWUJRHIVRRYTHQ-HTAPYJJXSA-N 428.577 4.633 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 1749268492 BOJSDMRPHZLWSQ-JKSUJKDBSA-N 438.016 4.627 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1749268856 IIQBIAZGDKEPFK-NJYVYQBISA-N 430.980 4.529 30 10 IJEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2cccs2)CC1 1749331295 XBFLESNCQKWJIS-DEOSSOPVSA-N 444.645 4.760 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H](C)C1 1749367643 YATCSZAFWQDJDJ-FQEVSTJZSA-N 437.636 4.681 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS[C@@H](CC)C1 1749368282 GDMFJWBQSZRDEC-PXNSSMCTSA-N 428.602 4.725 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCN(Cc3cc(C)ccc3OC)CC2)nnc1C(C)(C)C 1749377232 OYRBUSVWORFWPQ-UHFFFAOYSA-N 439.648 4.817 30 10 IJEE C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749401669 BUEDKGUBZFBUPN-OFVILXPXSA-N 440.588 4.788 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1cccc(COCC(F)(F)F)c1 1749496039 HNQUWKVJULSSQA-UHFFFAOYSA-N 436.503 4.680 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCC(C)CC1 1749499867 QFADNERWDCGNQO-UHFFFAOYSA-N 425.621 4.509 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1749502075 NECGSBHJNMGPQZ-YLJYHZDGSA-N 430.568 4.848 30 10 IJEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1750690185 HMJWOIZJXNBEQG-URXFXBBRSA-N 439.579 4.589 30 10 IJEE Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C#N)CC2)N2CCCC2)cc1 1751452107 GGCMQCOKFIGFSA-HSZRJFAPSA-N 434.632 4.752 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC1CCC(F)(F)CC1 1760125583 RJNHEYGNEJRYEU-INIZCTEOSA-N 434.556 4.862 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760160145 ZVPXMDKIOZRZBN-IBGZPJMESA-N 433.021 4.889 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1760209444 CRDWIGJMMGZSGS-SBFWRKJZSA-N 430.596 4.934 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1760273839 DSZLQGFQFJMPTA-MAUKXSAKSA-N 433.419 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(F)c(Cl)c1 1760291399 NNLUROBJULRDTA-OAQYLSRUSA-N 430.314 4.826 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CC[C@H](C)N1CCCCC1 1760298165 XSOJQWHXUTXVPK-WXVAWEFUSA-N 449.643 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1nccs1 1760320312 WXWTYDPMTIOZPT-LIRRHRJNSA-N 447.967 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1ccn(C)n1 1760329305 ABPQKPLXCIACDH-UHFFFAOYSA-N 447.612 4.756 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccc(COC)o1 1760379779 HNLYZFFXRIVUHD-SFHVURJKSA-N 446.910 4.830 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1760410516 HRHSACWMXJRHMK-UHFFFAOYSA-N 446.599 4.583 30 10 IJEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1760441222 ATXZTDVUNVHFJB-HXUWFJFHSA-N 444.004 4.831 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@H](OC)[C@H](C)CC)C1CC1 1760470237 YPLBZDPWQBKHHU-BEFAXECRSA-N 433.394 4.924 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760498918 IPTGRTSJRSYEFR-MVERNJQCSA-N 438.616 4.755 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ccncc1 1761362949 ARSWVOIMTPQEKR-MRXNPFEDSA-N 426.977 4.600 30 10 IJEE C[C@](O)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@](C)(C#N)C1)c1cccs1 1761542260 HHANRXTYSINRRN-VXKWHMMOSA-N 441.988 4.698 30 10 IJEE C[C@H]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)C1 1762792106 DWNXCEXYTRXABV-AZUAARDMSA-N 435.597 4.905 30 10 IJEE CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccnc(OC2CCCCC2)c1 1764235547 AEWGRXDOFSNFAI-UHFFFAOYSA-N 430.556 4.818 30 10 IJEE Cc1cc(Cl)ccc1NC(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12 1858241761 COOXXEFFRODJDE-UHFFFAOYSA-N 429.867 4.672 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(Cl)c(Cl)c1 1861055893 ZJXADLULKMUNBD-PXNSSMCTSA-N 443.415 4.826 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCc2ccccc2)cc1 1862414178 UIROKZQPZAVGPB-HSZRJFAPSA-N 449.453 4.794 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1cccc(Br)c1 1862421414 IOGPVGLSYROCLM-KRWDZBQOSA-N 436.252 4.714 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc2cc[nH]c2c1)c1ccccc1Cl 1862433355 ZYANUSYFBDDRNB-QFIPXVFZSA-N 443.890 4.995 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C(C)C)cc(Cl)c1O 1862497041 ABXZIEARKWYEQY-LJQANCHMSA-N 429.900 4.658 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1c(Cl)cccc1Cl 1862646144 YOYWDROFQUGMTB-GOSISDBHSA-N 436.266 4.905 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2)c1 1862746694 IPCJGJFJOHGXDX-JOCHJYFZSA-N 428.444 4.682 30 10 IJEE Cc1ccc(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1C 1862879663 ZPZDSNGAGXHWPO-UHFFFAOYSA-N 429.426 4.850 30 10 IJEE N#Cc1nnn(Cc2c(Cl)cccc2Cl)c1NC(=O)C12CC3CC(CC(C3)C1)C2 1870113326 ZJWAEQGWGOTIGX-UHFFFAOYSA-N 430.339 4.660 30 10 IJEE CCCCCCOc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(F)c(F)c2)cc1 1870144177 RDDILHLXWOOHQE-UHFFFAOYSA-N 425.439 4.629 30 10 IJEE N#Cc1nnn(-c2ccc(Br)cc2)c1NC(=O)c1ccccc1-c1ccccc1 1870146613 ATYLKXPYUQSXEI-UHFFFAOYSA-N 444.292 4.821 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CNc1ccc(C)cc1 1871162090 PIZYIDGTQXOFKD-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)NCc3ccccc3)cc(C)c2C1=O 1871420653 HZGMAUYMOQMVAO-OYKKKHCWSA-N 443.499 4.705 30 10 IJEE CCCOC(=O)[C@H](CC)Oc1ccc2c(c1C)O/C(=C\c1cccc(OC)c1OC)C2=O 1871432395 BDOABJTXXRSTES-SBGXLDQMSA-N 440.492 4.739 30 10 IJEE CCN(CC)CCOc1cc(C)c2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 1871451828 PANUDHSNEAZIEE-NHDPSOOVSA-N 443.927 4.852 30 10 IJEE C=CCN([C@H](CCCC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CC 1872291336 ZPQAVGQHURGSPZ-HSZRJFAPSA-N 428.598 4.612 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccncc2)cc1 1874306607 GWCHUGMAQZXFCV-JVWAILMASA-N 447.539 4.781 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1cccc(OC)c1O 1874329926 HYBGLQCTHZZCBS-AFUMVMLFSA-N 436.581 4.945 30 10 IJEE CCCOC(=O)CSc1nnc(C2CCCC2)n1/N=C/c1ccccc1OC(C)C 1874458162 ZJGHGFWIZJKEMU-OEAKJJBVSA-N 430.574 4.650 30 10 IJEE CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874460172 PBXDNQRATQYUBQ-WYMPLXKRSA-N 436.459 4.879 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccccc1[N+](=O)[O-] 1874473802 YAVFSEDIZYSBAT-BUVRLJJBSA-N 447.520 4.703 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1/N=C/c1cccc(OC)c1 1874476446 LUUKCMRBAAZLBR-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE O=C(COc1ccc(Cl)cc1/C=C/C(=O)c1cccc([N+](=O)[O-])c1)NC1CCCCC1 1874571654 YPWIAMALMROGDY-PKNBQFBNSA-N 442.899 4.972 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1OCc1ccc([N+](=O)[O-])cc1 1874582059 UGLNTSPTWHYYGO-YRNVUSSQSA-N 447.443 4.850 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3c(OC)cccc3OC)c2)cc1F 1874707097 NYLPYRJRKCIRCA-ZRDIBKRKSA-N 436.435 4.967 30 10 IJEE CCCCCCCCC(=O)NCCCc1nn2c(Cc3ccc(F)cc3)nnc2s1 1874795086 FENYYPBLUQTCHB-UHFFFAOYSA-N 431.581 4.715 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875109521 RMPAICSTMKFWJF-CSKARUKUSA-N 439.464 4.912 30 10 IJEE CCN[C@@H](C#Cc1cccs1)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1900747311 ATZXLFVKILCIQA-LEWJYISDSA-N 428.598 4.578 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1922074910 RLSQHFJECZHETL-OFNKIYASSA-N 439.552 4.827 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)cccc1Br 1937850495 RNSRROXDDFAALB-ZFWWWQNUSA-N 448.199 4.942 30 10 IJEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1cc(Br)cc(C#N)c1 1954224796 MBUXQONDFUEBAT-UHFFFAOYSA-N 430.346 4.852 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](Nc2cc(Br)c(C#N)cc2F)C1 1962884461 MYUGHNBSGHJNHT-TZMCWYRMSA-N 426.330 4.955 30 10 IJEE Cc1c(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc([N+](=O)[O-])c1C#N 1995361563 AZYDEUFTMDHNIM-UHFFFAOYSA-N 442.475 4.726 30 10 IJEE C[C@]1(Nc2cc(Br)cc(C#N)c2)CCCN(C(=O)OCc2ccccc2)C1 1998956904 IJIUJXSMDNWFIF-NRFANRHFSA-N 428.330 4.924 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(C)ccc(Br)c1F 2102886769 KUVSIINQJOVEAK-CRAIPNDOSA-N 427.358 4.854 30 10 IJEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1cc(Br)cc(F)c1C#N 2107438641 NXHSMKKWTLSERP-WBMJQRKESA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](Nc2cc(Br)cc(F)c2C#N)C1 2107441093 BLJXZCDZMVCLIY-JSGCOSHPSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](CNc1cc(Br)cc(F)c1C#N)C(F)(F)F 2107452040 YUQXVGLTGPPDAP-VIFPVBQESA-N 440.235 4.575 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NCC 2110509256 ITPYGIHSXIDBOF-DLBZAZTESA-N 443.813 4.930 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](Nc2cc(Br)c(C#N)cc2F)C1(C)C 2127901303 SUYFVSILRXYRHQ-LRDDRELGSA-N 426.330 4.811 30 10 IJEE COCC[C@]1(Nc2ccc(C#N)cc2Br)CCCN(C(=O)OC(C)(C)C)C1 2162313667 WLOMXSUXWARMBC-HXUWFJFHSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(CCCCN2c2ccc(C#N)c(Br)c2F)C1 2174815232 RCGKKZVRAJIGKE-UHFFFAOYSA-N 438.341 4.876 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C#N)cc2Br)C1 2181148366 YDLUJALCZOELHY-UKRRQHHQSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)Nc1cc(Br)ccc1C#N)C1CCC1 2186784989 XJSBQDPZGUVASY-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2200687800 SJRNSGGMFVZUGS-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE C#CC[C@@H](C)C[C@@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237480890 XHBIRLHILUGNIZ-AHRSYUTCSA-N 437.422 4.913 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2261982114 IANGVOYKJVSLDD-BWKNWUBXSA-N 447.572 4.704 30 10 IJEE CN[C@H](C#CC1CCCCC1)c1ccc(Br)cc1I 2274071784 FYZZSAVXODBCQP-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CN(Cc1ccc(I)cc1)Cc1ccc(Br)cc1C#N 2280274136 VFQFJCYVNRKXQA-UHFFFAOYSA-N 441.110 4.557 30 10 IJEE C#CCN1C(=O)SC(=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O 2293983561 IWPILMJADHKDSL-UHFFFAOYSA-N 427.909 4.906 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(F)c2)cc1Cl 2296116285 XYQKGAUZRGPQQC-FQEVSTJZSA-N 438.842 4.509 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H](C#Cc2cccc(Br)c2)NC)C1 2296225729 YJGGZAJXAGAKCD-UXPWSPDFSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](NC(=O)OC(C)(C)C)C1CCC1 2296298616 MACYSJZMAICFQV-WOJBJXKFSA-N 435.406 4.862 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2296307390 UBENSGHRDAIGET-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2296308162 DSEPVRGPCRNZSU-QUCCMNQESA-N 437.422 4.966 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc3c2[C@@H](c2ccccc2OC)CC(=O)O3)C1=O 2297591383 DKHCANVZRIYOQP-GOSISDBHSA-N 428.440 4.761 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 2306366302 VGBFZVBFPVFGRW-NBGIEHNGSA-N 430.589 4.993 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3c(OC)cccc3OC)cc2)c(OC)c1 2314429990 TWXSCMPAMPLNFJ-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C1(NC(=O)OC(C)(C)C)CC1 2317352787 BAYBOSHGESNFRK-MRXNPFEDSA-N 430.354 4.551 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C 2318829625 OIAYRMLQLIXDLA-JCYRPKCISA-N 446.632 4.668 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)O3)CN(Cc1cccs1)CO2 2321968143 GGYHSHMGPQLCHF-UHFFFAOYSA-N 434.473 4.933 30 10 IJEE CCn1cc(C=C2Oc3c(ccc4c3CN(CCOC(C)C)CO4)C2=O)c2ccccc21 2322015339 CILQXPMOAKWKNC-UHFFFAOYSA-N 432.520 4.854 30 10 IJEE CC[C@H](C)N1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)c(OC)c1OC)C3=O 2322092085 NMKUKPWZPVDLHX-HNNXBMFYSA-N 439.508 4.587 30 10 IJEE COc1cc(C=NNc2cnn(-c3cccc(Cl)c3)c(=O)c2Cl)ccc1OC(C)C 2322607301 ORXZZAYFMSDHHY-UHFFFAOYSA-N 447.322 4.781 30 10 IJEE COc1ccc(C=C2Oc3cc(OC(=O)C(Cl)(Cl)Cl)ccc3C2=O)c(OC)c1 2323034333 QAMQHAPNKPWZIJ-UHFFFAOYSA-N 443.666 4.596 30 10 IJEE C[C@@H](NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1)c1ccccc1 2323181889 OIHQULIZTQYUPG-LJQANCHMSA-N 443.499 4.610 30 10 IJEE COc1cccc(C=NNS(=O)(=O)c2c(C)cc(C)cc2C)c1OCc1ccccc1 2323379317 IVUZIMZAJWDDKQ-UHFFFAOYSA-N 438.549 4.512 30 10 IJEE Cc1c(OC(=O)c2cc3ccccc3oc2=O)ccc2c1OC(=Cc1cccs1)C2=O 2323569408 VAUAYJCNWPDBPW-UHFFFAOYSA-N 430.437 4.998 30 10 IJEE CCc1ccc(C=C2Oc3c(CN(CCO)Cc4ccccc4)c(O)cc(C)c3C2=O)cc1 2324010105 HOYXBQFTSOHZMN-UHFFFAOYSA-N 443.543 4.874 30 10 IJEE CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2)C3=O)c1 2324825656 BTCCCJRPFXKKFY-KRWDZBQOSA-N 427.456 4.911 30 10 IJEE CCCOC(=O)COc1cc(C)c2c(c1)OC(=Cc1ccccc1Br)C2=O 2324879384 SCQHJZHYIYMUBK-UHFFFAOYSA-N 431.282 4.706 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)s1 2325445092 LNUALLGOZVIPLR-HNNXBMFYSA-N 449.532 4.740 30 10 IJEE Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc2c1C(=O)C(=CC=Cc1ccccc1)O2 2325551125 RVIHOEIRUZSQKX-UHFFFAOYSA-N 427.456 4.891 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2cccc(Cl)c2)C3=O)cc1 2325731243 PWJZYSAFOOSSCM-UHFFFAOYSA-N 435.863 4.982 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccccc2C)C3=O)cc1 2325731966 XGICPVSQYBLEIB-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1N=Cc1cccn1C 2328232812 ZFDYRHYOJAKDNP-UHFFFAOYSA-N 447.564 4.687 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] 2331018180 GRYNEZPOEPDTKP-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(C=CC(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 2331390195 QMABMGHXFOCUPS-UHFFFAOYSA-N 443.452 4.612 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc2c(c1)OCCO2 2331399694 NSMNMIDKNFFLOP-UHFFFAOYSA-N 443.293 4.822 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1(C)C 2339578527 ICTQOJOCJNCSII-SZEUEKNRSA-N 444.381 4.893 30 10 IJEE C=C([C@@H](NCCC)[C@@H](O)c1sc(Cl)cc1I)C(F)(F)F 2366644553 BVJGGFZRQWAWIS-NXEZZACHSA-N 439.668 4.526 30 10 IJEE Cc1sc(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)c(Br)c1C 2372004334 RMOMLKCKQGSMLK-UHFFFAOYSA-N 441.175 4.573 30 10 IJEE COc1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1F 2377290079 HIUHZOFLKRCYMP-INIZCTEOSA-N 436.281 4.998 30 10 IJEE CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(OC(=O)c2ccc(Cl)cc2)c1 1255824 KXTQKCFLPKIIAH-NRFANRHFSA-N 448.910 4.809 30 10 IJEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccccc1F 33450640 AVZHSWVYXDAGAV-UHFFFAOYSA-N 434.511 4.627 30 10 IJEE CSc1ccc(/C=C\C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 33729469 WFDYHHJOUHCPNL-XFXZXTDPSA-N 426.563 4.806 30 10 IJEE COc1cc(OC)c(OC)cc1/C=C1/Oc2cc(OC(=O)c3ccccc3)ccc2C1=O 35073883 KIQUHKLEMDMIHT-FSJBWODESA-N 432.428 4.548 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)C(C)C 36116029 DBFHUGURJJEPHO-HXUWFJFHSA-N 447.000 4.577 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ncccn2)c1 39838374 QALRKLBUOPZIQR-FQEVSTJZSA-N 445.862 4.551 30 10 IJEE Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 41432541 HVRHPCXKOYYKQX-XKZIYDEJSA-N 445.427 4.642 30 10 IJEE Cc1cccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NCCc3ccccc3)C2=O)c1 59446152 JBHNSJNDUJRDPM-HSZRJFAPSA-N 443.572 4.880 30 10 IJEE CCc1sc2nc(CCOC)n(Cc3cccc(C#N)c3)c(=O)c2c1-c1cccs1 96528538 YNSRAHPSCGKLMJ-UHFFFAOYSA-N 435.574 4.858 30 10 IJEE O=C1C(SCc2ccccc2)=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc21 103927700 PLOWCQZRCWXEHY-RELWKKBWSA-N 425.556 4.940 30 10 IJEE O=C1/C(=C\NCc2ccc(Cl)cc2)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 104400699 ODFRZBGRKOWCAW-PXLXIMEGSA-N 438.936 4.504 30 10 IJEE CCCN1C(=S)N[C@H](c2cc(OC)c(OC)cc2OC)C(C(=O)c2ccccc2)=C1C 169928841 DIYZNIVTJWODOJ-JOCHJYFZSA-N 440.565 4.511 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccn2)cc1 169994977 LXSKQOWWNKPVGK-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccco2)c1 170038859 FLUWLUFIQAPMHT-JOCHJYFZSA-N 435.451 4.904 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 170117077 BGGXWOIDLCGXNO-OAQYLSRUSA-N 441.911 4.878 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2CCN(C)C)c1 170146569 HOYGZDQQZMLJFF-NRFANRHFSA-N 438.911 4.535 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccncc2)cc1 170201312 HJDQKRZVHOXEJI-XMMPIXPASA-N 440.499 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 170238573 PLZMVHQYQYACLC-HXUWFJFHSA-N 436.370 4.656 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)CCCO2 170241232 YKAZUEDIWNRZEP-JOCHJYFZSA-N 433.435 4.522 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3ccccc3c2)=C(O)C(=O)N1C[C@H]1CCCO1 170316049 MQZWEGUMPZHPCC-TZIWHRDSSA-N 433.529 4.967 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(O)cc2)cc1 170339244 IKYBCYDSZDHBEM-QFIPXVFZSA-N 432.476 4.614 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccc(OC)cc2)cc1 170418061 AIZJQYAVTZJHFQ-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE O=C(Nc1cccc(C#Cc2ccccc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 247939392 OZAKWAOXXIVKIS-UHFFFAOYSA-N 426.491 4.716 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)SC1=Nc1ccc(Cl)c(Cl)c1 254346168 BARPMBZSDKCAHV-HNNXBMFYSA-N 426.300 4.723 30 10 IJEE COc1cc(-c2n[nH]c(=S)n2N=C/C(Cl)=C/c2ccccc2)cc(OC)c1OC 254765864 PDVPXXSPYBMWBC-LCFSJHSHSA-N 430.917 4.747 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)Cn3ncc4ccccc43)s2)c(C(F)(F)F)c1 409790379 IJSPBSSCLFUMNT-UHFFFAOYSA-N 441.438 4.613 30 10 IJEE CCCc1c(NC(=O)C(=O)Nc2c(C)cccc2C(C)C)cnn1-c1cccc(C#N)c1 443778777 PWVGEYBSQZHMLK-UHFFFAOYSA-N 429.524 4.706 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 460932921 OMAAGFADRLNBSO-UHFFFAOYSA-N 426.492 4.597 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 484541217 JGSSSGQHHYOBDJ-LJQANCHMSA-N 447.377 4.838 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 508788947 FVWHIBOUTQNHNG-OAHLLOKOSA-N 436.387 4.569 30 10 IJEE C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](c2cccs2)C1 508811455 SBRUJDNXDPWPFD-INIZCTEOSA-N 449.349 4.672 30 10 IJEE C=CCn1c(CCc2ccco2)nnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 508839449 FPRRAMNSAIOULK-LJQANCHMSA-N 433.339 4.727 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 508924325 QIGUJBIYRUSBEU-INIZCTEOSA-N 445.951 4.512 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 508932528 UHQCAZBMNQNQNM-KRWDZBQOSA-N 440.979 4.858 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 549287847 OJCSKSKZZPGZTF-SFHVURJKSA-N 440.979 4.989 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 580050631 HPCXINCVCJSKQC-FQEVSTJZSA-N 439.903 4.661 30 10 IJEE CCOc1ccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)CCN2)cc1 585852612 PLBSATIYTZKSJG-LAMSDQTKSA-N 447.362 4.525 30 10 IJEE C=CCC1([C@H](Cc2ccc(Br)cc2F)NCC)CN(C(=O)OC(C)(C)C)C1 722919800 CEQYNXMQMHXVPT-SFHVURJKSA-N 441.385 4.922 30 10 IJEE NC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2cc(Cl)ccc2Cl)[n+]2ccccc2)C=C1 726572212 RYCKJQWKWKOAAO-UHFFFAOYSA-O 445.351 4.787 30 10 IJEE O=C1/C(=C\c2cnn3ccccc23)CN(C2CCCCC2)C/C1=C\c1cnn2ccccc12 729644491 VUMPITDABLZJPF-OQRYGUKSSA-N 437.547 4.666 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 745058770 QVCPJAJLHANJDS-QGZVFWFLSA-N 438.484 4.568 30 10 IJEE CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 759214329 UDOVMYXMBPIPSY-KRWDZBQOSA-N 447.516 4.669 30 10 IJEE N#Cc1csc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)c1 771667035 OWTLOALBTAKIQI-IBGZPJMESA-N 428.460 4.597 30 10 IJEE O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1(C(F)(F)F)CCOCC1 776970831 WIIZCPKXTLTSQP-UPHRSURJSA-N 435.286 4.965 30 10 IJEE N#Cc1ccc([C@@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)cc1 781347006 NWKSXGMESBVFQA-BJKOFHAPSA-N 440.465 4.846 30 10 IJEE Cc1ccc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c(N2CCCC2)n1 781374643 IFKVIFDXSMGZPV-UHFFFAOYSA-N 431.565 4.590 30 10 IJEE N#C[C@H](C(=O)CN1CCCCC[C@H]1/C=C/c1cccs1)c1nc(O)c2ccccc2n1 783029999 DZDXRCVAUFSDTL-KATAIJTDSA-N 432.549 4.531 30 10 IJEE N#Cc1ccc(N=c2scc(-c3cnccn3)n2[C@@H]2CCO[C@H](C3CC3)C2)cc1Cl 803193612 AXMVXQUGTARIIE-UTKZUKDTSA-N 437.956 4.894 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1cc(C)ccc1C 809892824 FKDZPWORLGZDEW-HSZRJFAPSA-N 445.567 4.849 30 10 IJEE N#C[C@@H](c1ccc2c(c1)OCO2)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1088704650 SQTHHVYXBLUUIO-FQEVSTJZSA-N 440.908 4.524 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OC(=O)OCC)cc1 1125736820 STJCAWLUQQBUNN-UHFFFAOYSA-N 436.277 4.952 30 10 IJEE C#CCN(C(=O)[C@@H]1COc2cc(C)c(C)cc21)[C@H]1CCOc2ccc(Br)cc21 1126230515 ZJIGRUYNSXTXDM-UXHICEINSA-N 440.337 4.528 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)c(OC)c1 1130483558 RSVDQLXQWRXCQB-UHFFFAOYSA-N 445.441 4.954 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@]1(c2ccccc2)CC1(C)C 1131667489 IENDCLGPBSJDNT-QFIPXVFZSA-N 443.341 4.540 30 10 IJEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1132189894 ZHBOHXHBSJGBRL-UHFFFAOYSA-N 449.016 4.883 30 10 IJEE O=C(Cc1cccc(Cl)c1F)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1136983963 HAIPAEMHPRAWMD-MRXNPFEDSA-N 443.746 4.607 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)CCCC1(C)C 1139512161 YWVXKSKBIDSZCX-NRFANRHFSA-N 448.535 4.973 30 10 IJEE Cc1ccc(Oc2ccc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)cc2)nc1 1139787777 BAQWHJHESGBCQF-HSZRJFAPSA-N 446.938 4.858 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 1139804355 DQMAGALSRKAZDR-FTJBHMTQSA-N 427.523 4.702 30 10 IJEE C#C[C@H](CCC)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1139967200 JGKDNQWJDDTZPU-CLOONOSVSA-N 432.564 4.810 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2ncccn2)cc1C 1142795786 NHPBLQTWEIYOJZ-QGZVFWFLSA-N 448.976 4.911 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1156083389 AGQSKKRCTVZJEG-JWQCQUIFSA-N 430.548 4.634 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](c2ccccc2)C2CCCCC2)c1 1185403283 FBQSRKNXXIHCMZ-HXUWFJFHSA-N 433.371 4.921 30 10 IJEE C=CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nc2cc(Cl)ccc2c1=O 1187987091 MSGOENLJYHLNGM-UHFFFAOYSA-N 435.332 4.953 30 10 IJEE C[C@H]1Cc2cc(-c3ccc(CNS(=O)(=O)c4cccc(Cl)c4C#N)cc3)ccc2O1 1188893700 DSRVOAHZYSUYAO-HNNXBMFYSA-N 438.936 4.681 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 1190197045 DMPXXIGTDCPOLJ-UHFFFAOYSA-N 428.863 4.831 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)CCCC1 1192467956 JOWQYGQPPBOZCA-UHFFFAOYSA-N 443.407 4.521 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 1201299402 VPIDZBLWJPWCRO-QGZVFWFLSA-N 435.524 4.888 30 10 IJEE CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1214718888 DVRPXDXHFSZXMV-DHLKQENFSA-N 435.524 4.575 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(Br)cc1 1215084211 BHDIVPKJHWEYRD-IBGZPJMESA-N 438.281 4.790 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 1218569469 OZMHMROTNFVTRM-UHFFFAOYSA-N 430.501 4.588 30 10 IJEE N#Cc1sc(NC(=O)N(Cc2cccc(Br)c2)CC2CC2)nc1Cl 1219069308 GICQIZDUVZXRMN-UHFFFAOYSA-N 425.739 4.875 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc(OC)c1OC 1221552256 KQYFKSLFEXJZHT-DHIUTWEWSA-N 438.568 4.615 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CC)c1ccccc1OCC(=O)N1CCCC1 1223818272 FORFMKSMDOEMRI-CEMLEFRQSA-N 427.589 4.573 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](OC)c2ccccc2C(F)(F)F)cc1 1264801391 BTHSZASFTOROSE-HXUWFJFHSA-N 432.442 4.846 30 10 IJEE C#C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(Cl)cc1F 1275499317 WTFWYXKXEMWPDB-KOSHJBKYSA-N 448.925 4.975 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(=C)Br 1286450435 GCQPFGXYIFJTPY-UHFFFAOYSA-N 431.378 4.523 30 10 IJEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CC[C@H](C)C(C)(C)C1 1286510304 OPLFWVYVNLONLR-IBGZPJMESA-N 426.630 4.658 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nnc(CC)s1 1286518441 VHVVLIIEULLNPH-XMMPIXPASA-N 434.613 4.697 30 10 IJEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1286535611 DCKGGINJFNAKEK-UHFFFAOYSA-N 441.377 4.571 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCCOC 1286623533 UHVTUKFESDZUAJ-UHFFFAOYSA-N 434.165 4.586 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)Cc1c(F)cccc1F 1286632172 HLMZPDRQIWVEAN-UHFFFAOYSA-N 442.901 4.574 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCC(C)CC2)CC1 1286658998 GQXRWPSDVIHWIG-FQEVSTJZSA-N 425.596 4.531 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286669272 ZMSDEFWXXDYSDZ-FQEVSTJZSA-N 440.979 4.512 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1Cl 1286671353 XCVFXHUPTBWXPW-UHFFFAOYSA-N 441.963 4.898 30 10 IJEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1C 1286686102 ALORUPMFNITZQV-UHFFFAOYSA-N 446.555 4.569 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1Cc1cnc(C)s1 1286740339 JPCWANSPLKZLCZ-UHFFFAOYSA-N 425.602 4.881 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1Cc1nc(C2CC2)cs1 1286741225 DRXXDBVPNQMYNW-UHFFFAOYSA-N 432.597 4.923 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1286776900 KEWFZCZPSBFSHS-UHFFFAOYSA-N 431.378 4.988 30 10 IJEE C=CCOc1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@H](C)S[C@@H](C)C2)cc1 1286796071 GUFOJUTZMDABHZ-OALUTQOASA-N 426.630 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)c1ccccn1 1300283535 NMGVRVLXZNILFJ-QZTJIDSGSA-N 433.625 4.962 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1300510738 ADIAIKIVYTUFFD-SMIHKQSGSA-N 432.612 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1301146114 RYCXKCDDLVBGGG-UHFFFAOYSA-N 441.526 4.642 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1)C(C)C 1301367426 NXZPGVGGENAYRQ-DENIHFKCSA-N 444.023 4.522 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](C)c2nccs2)C1 1301540020 YURFEAQVZBRMJN-TYPHKJRUSA-N 437.613 4.862 30 10 IJEE CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2sccc2Br)C1 1306366462 FLLANZFCVSYIEO-AWEZNQCLSA-N 442.386 4.925 30 10 IJEE C=CCn1c(SCc2ccc(C)c(C(=O)OC)c2)nc2sc3c(c2c1=O)CCC3 1307258785 HSYRPJDJCCIJGQ-UHFFFAOYSA-N 426.563 4.520 30 10 IJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1310001192 OZQPXZIRTNFCBN-OZIGNCPNSA-N 447.645 4.904 30 10 IJEE C#CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 1356408375 NOKIHMHCCGSGIY-SFHVURJKSA-N 430.479 4.971 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 1358077980 QKVBXLLICIPSMV-JOCHJYFZSA-N 438.369 4.672 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCN(CC)C1 1359107939 YKNAYGRRKOVHPQ-RBUKOAKNSA-N 432.012 4.816 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(CSC)cc1 1359115077 JRTYMGGNTHDDTQ-UHFFFAOYSA-N 446.624 4.830 30 10 IJEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1359152884 LWWHFOHHQBZANV-UHFFFAOYSA-N 439.844 4.811 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2)CC1 1359222165 AGBUNONAGIANON-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=CCSCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC=C(C)CC1 1359338072 KPJQEDRJCPWIDX-UHFFFAOYSA-N 449.418 4.792 30 10 IJEE CC(C)CC1(Cn2c(COc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CC1 1359773935 DLQGENCTPBTFEV-HSZRJFAPSA-N 425.552 4.953 30 10 IJEE CC(C)N(CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1360128136 AWNURZFKNHQYMI-HSZRJFAPSA-N 429.012 4.847 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CC[C@@H]2CCO[C@@H](C)C2)c1C 1360865648 GCDXRZAVVBFFGQ-NPDDRXJXSA-N 439.604 4.979 30 10 IJEE CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 1434880044 DFJZTLDWPITIAR-QHCPKHFHSA-N 428.488 4.563 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@@H](C)C2)ccc1Cl 1436132951 FEVHJKVQASJDDD-QZTJIDSGSA-N 447.000 4.887 30 10 IJEE C=CC[C@]1(C(=O)O[C@H]2CCCc3cc(C(=O)OC)ccc32)CCCN1C(=O)OC(C)(C)C 1436466406 ICXDVJIGURHYKD-NBGIEHNGSA-N 443.540 4.740 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cc2n1 1439618743 ZZGYBMAJBQZXFE-CALCHBBNSA-N 433.512 4.865 30 10 IJEE C=C[C@@H](C)ONC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 1452731809 AUNSOTNZFHAKMX-GFCCVEGCSA-N 429.373 4.622 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)[C@H](C#N)C1 1457527060 AHYOPAMQEFNOPD-HXUWFJFHSA-N 437.565 4.564 30 10 IJEE CN(Cc1cccc(Cl)c1Cl)C(=O)COc1ccc(C#N)c(Br)c1 1457744371 CISXATJDSMOXMD-UHFFFAOYSA-N 428.113 4.665 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1S[C@H]1CCO[C@H](c2cccnc2)C1 1458825392 HMQFEHSKWWSZRU-PXNSSMCTSA-N 426.517 4.590 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc(OCC)cc1C 1462998462 BSIBMJJHOYZWRN-UHFFFAOYSA-N 442.350 4.672 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(C#N)c1 1463573271 BIIDBSDNVYTJJO-UHFFFAOYSA-N 425.488 4.814 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)cc(OC)c1OC 1464556308 HSRRXAVSWIJVNC-UHFFFAOYSA-N 446.547 4.891 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)n[nH]2)c1C 1464979479 GVLNTKOJMDMIDX-UHFFFAOYSA-N 438.491 4.992 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(CC)CCOC1 1467787108 SVNRIPSIJKIJSG-SQHAQQRYSA-N 448.563 4.545 30 10 IJEE COc1ccc2c(c1)CN(S(=O)(=O)CC1(C#N)CCCCC1)[C@@H](C1CCCCC1)C2 1475077028 HAYNCQRDMCRASS-HSZRJFAPSA-N 430.614 4.806 30 10 IJEE CC1CCC(Oc2cc(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)ccn2)CC1 1476098908 BMMSKXUSUDZXFB-UHFFFAOYSA-N 430.455 4.834 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 1476149300 YQIZAZGYWQMFMY-CQSZACIVSA-N 431.323 4.908 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)COc1ccc(F)cc1F 1476729657 XBDREPBVWWSNMI-GFCCVEGCSA-N 441.272 4.881 30 10 IJEE C=CC[C@H](NC(=O)N1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccncc1 1477934811 ZSKOHNNXCTYVLH-GBXCKJPGSA-N 428.577 4.522 30 10 IJEE C#CCN(C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1)C1CCN(C)CC1 1478247634 AMPPEJUXJSYBGR-UHFFFAOYSA-N 436.427 4.934 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCCOCCCC 1507523669 OUODDDGMRVRTSO-HNNXBMFYSA-N 437.357 4.511 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@H](c1ccco1)N1CCCCC1 1507540910 GSJADIJTPYAYLU-VWNXMTODSA-N 445.611 4.732 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC2(CCCCC2)O1 1507605584 WDQVTUDXCKFXFI-IBGZPJMESA-N 443.389 4.659 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(OC(C)C)nc1 1507680051 WMMSDAOKLLBUFF-OAQYLSRUSA-N 447.583 4.725 30 10 IJEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1507791479 YVXGSDZGQOMLNQ-IERDGZPVSA-N 447.377 4.543 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1Nc1ccn(C)n1 1507807048 BXAHSLBCTVTNLR-YWZLYKJASA-N 444.992 4.682 30 10 IJEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(c2nc(C)no2)CC1 1507856875 FVFDPIIXEFDJBE-IBGZPJMESA-N 426.952 4.648 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(CCOCC)CC2)CC1 1507888698 PCZXZXABKCSALX-UHFFFAOYSA-N 430.980 4.874 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CCC[C@@H]2C)CC1 1507898250 WDEKISGFMZMHSY-KRWDZBQOSA-N 444.421 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1507913363 YCHJYLPGWWRHBI-IRXDYDNUSA-N 428.577 4.665 30 10 IJEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cccc(C(F)(F)F)n1)C1CC1 1507996951 MFFNAPTXKRSOTO-UHFFFAOYSA-N 431.437 4.625 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(Cl)nc1 1508020869 KJYAYKPTZVUYKZ-UHFFFAOYSA-N 430.339 4.786 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1512935664 ITSYLEYNWLZHLF-IAOVAPTHSA-N 448.493 4.620 30 10 IJEE CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1)SC 1513256342 IAFDARBJKGWQHY-IBGZPJMESA-N 439.629 4.744 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cc(OC)c(OC)cc1Br)c1ccc(F)c(F)c1 1517408379 BVTRTWNLNOTJRT-GOSISDBHSA-N 426.257 4.792 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F 1519432324 PJROMGUANIXDMS-UHFFFAOYSA-N 428.389 4.730 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1OC 1521369370 AWBUSMWYKPZNRQ-FYWRMAATSA-N 442.515 4.842 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC 1524983685 VPWSNXQOZHZCRD-DOTOQJQBSA-N 432.314 4.773 30 10 IJEE C#C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(Cl)cc1F 1528523752 PMSCWOLTUCPGSX-HNNXBMFYSA-N 431.088 4.765 30 10 IJEE C#CCN(C(=O)c1ccc2c(c1)CCCC2=O)[C@@H]1CCOc2ccc(Br)cc21 1531552707 GCWVPNVMWTZGLX-HXUWFJFHSA-N 438.321 4.567 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)cc1 1532130792 RDVCHVSCHBAHDO-UHFFFAOYSA-N 427.504 4.717 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccc(Cl)c(Cl)c3)C(C)C)cc2C1=O 1534421884 KCTSUJWYGVNVOI-UHFFFAOYSA-N 431.319 4.826 30 10 IJEE COC(=O)[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc2ccccc12 1537766800 HQBFHUQXEFAXKO-XMMPIXPASA-N 440.455 4.528 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539094684 SQRVZFXIEQCHHV-IRLDBZIGSA-N 446.599 4.696 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1539350779 YOQJINCSUJIASI-OKYOBFRVSA-N 426.630 4.795 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CCN1CCCC(C)(C)C1 1539549846 VQNMIBKLIIABAE-XMMPIXPASA-N 426.008 4.713 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1539723121 OMYGWFFGILKNEM-DUXKGJEZSA-N 446.542 4.629 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cc(C)cc(C)c2)CC1 1539897321 CFRGKHAHASICLX-UHFFFAOYSA-N 449.624 4.532 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1539960210 ZMBAUIGQMOGVRA-ZWKOTPCHSA-N 444.421 4.737 30 10 IJEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1539981500 JKBBBTLIXBORCI-OAHLLOKOSA-N 427.902 4.638 30 10 IJEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2nc(C)cs2)CC1 1540005575 KSRQLPMKYQCORS-UHFFFAOYSA-N 443.020 4.580 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CCN(C)[C@@H](C)CC)C1CC1 1540098887 LFZHZUSMCTWGEE-INIZCTEOSA-N 432.410 4.593 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CC(F)(F)CO1 1540158159 BACSNLJNZTTXJY-AWEZNQCLSA-N 429.298 4.855 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc3ccccc3o2)n1C[C@@](C)(O)C(C)C 1540182395 QUGQYRZPRXOMFR-RUZDIDTESA-N 434.540 4.926 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1540186280 BHTKJCGEYSGSMY-IIZPIQPGSA-N 428.577 4.551 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)c2ccccc2)CC1 1540916307 VRXCGHDWUHZUQM-JOCHJYFZSA-N 441.645 4.544 30 10 IJEE CC(C)c1csc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H](C)C#N)n1 1541106923 CWUQYQQZVJYEPN-AWEZNQCLSA-N 446.527 4.771 30 10 IJEE CC1(C)Oc2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc2O1 1543948859 ABJWNZPXFGKRHO-UHFFFAOYSA-N 425.916 4.964 30 10 IJEE CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)c1ccco1)N(C)C 1545807156 BOFHRXIHAJRBEN-XMSQKQJNSA-N 434.588 4.974 30 10 IJEE C=CC[C@@H](Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1)C(=O)OC 1559334135 VPNAJLIVOJESQV-GOSISDBHSA-N 429.929 4.710 30 10 IJEE C#CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@H]1CCCc2ccccc21 1560171728 CYLRNXUABXPJKG-QHCPKHFHSA-N 443.572 4.952 30 10 IJEE CC[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)Oc1ccccc1C(F)(F)F 1560365540 BJLLLIIQGJVCJM-LJQANCHMSA-N 428.458 4.925 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC=CCC1 1566891365 MZXSEAHLUVGSDJ-HSZRJFAPSA-N 436.939 4.825 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 1570279824 VGCNWXKFYQARBH-NRFANRHFSA-N 444.531 4.873 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)nc1 1583722735 CKOYGGUNGDINTO-IBGZPJMESA-N 441.491 4.628 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(OC)c1 1584469279 XIKOQPNKAHTXOP-HXUWFJFHSA-N 448.588 4.848 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)c3cccc4ncnc(O)c34)cc2Cl)c1 1584654479 HPVVOCKUXVQEIG-UHFFFAOYSA-N 430.851 4.692 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)c1 1585090510 GUKFREHATYBFOR-UHFFFAOYSA-N 436.968 4.730 30 10 IJEE C#CCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CCCc2ccccc21 1585189685 SEXLZTQFYDCRLO-JOCHJYFZSA-N 434.337 4.788 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N(CCCC)[C@@H]3c3ccc(OC)cc3)cc21 1585547416 YUWWFQXMUTZWTR-WIOPSUGQSA-N 446.551 4.559 30 10 IJEE C#Cc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c(Cl)c1 1585668537 ONUKQDJLHKNBAF-UHFFFAOYSA-N 425.197 4.827 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOC1CCCCCC1 1587573924 AHFDTOYLCUZESI-HXUWFJFHSA-N 431.584 4.999 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cccnc1OCCCC 1587614622 LXDGRZWOIZYLDO-IBGZPJMESA-N 442.567 4.517 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCCC1 1587909544 NDZSHZJGBHJPND-HXUWFJFHSA-N 444.023 4.634 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCCC[C@@H]1CC 1587922347 ZQNDIWOSGSEHQS-QHCPKHFHSA-N 444.627 4.687 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1588099486 ODMCBKAWJVMUSJ-VXKWHMMOSA-N 443.595 4.522 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](C)SC 1588604525 KMDLPTVHIZHOJS-MRXNPFEDSA-N 444.601 4.650 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2ccccc2)C1 1589544147 FLGZAJWSUVHHFP-CHZKFRDHSA-N 438.616 4.600 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C)(C)CC1 1589568703 LGDQWQXMHKWDIW-PGRDOPGGSA-N 428.552 4.604 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CC(C)C)C1 1589570396 USEAHJBWLODNAH-HWBMXIPRSA-N 449.599 4.582 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2csc(CC)n2)CC1 1594013820 LKKMHXFGGGRXCS-INIZCTEOSA-N 427.549 4.781 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCSC2(CCOCC2)C1)c1ccccc1 1594533258 ANLDRTLWDNGGHL-OAQYLSRUSA-N 426.630 4.864 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1594761365 ZNRUWLXHRJRATI-JOCHJYFZSA-N 434.588 4.787 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCc1cccc(C)n1 1594907245 QZEZNDCIOUHSSB-UHFFFAOYSA-N 446.780 4.929 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1595115888 NDPCMYUERPVHOA-AKFKNWHVSA-N 437.632 4.833 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1cccc(C(C)(F)F)c1 1595261704 ULBJKVWBNDUXBX-IBGZPJMESA-N 442.510 4.770 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 1596661114 VHDMAFXLXWKLBA-GOSISDBHSA-N 447.988 4.941 30 10 IJEE Cc1csc([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)CC#N)n1 1612359555 AWONVIGXTHGTQK-BZZMCLGOSA-N 430.622 4.504 30 10 IJEE C=CC1(CC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)CN(C(=O)OC(C)(C)C)C1 1616543721 ALMFFNYJKKNBGU-HNNXBMFYSA-N 426.479 4.738 30 10 IJEE C=CCc1cc(C(=O)N2C[C@@H](C)Oc3cc(Br)ccc32)cc(OC)c1OC 1618825292 BLSYJTQCHBHZTP-CYBMUJFWSA-N 432.314 4.623 30 10 IJEE COCC1(Cn2c(-c3cccc(OC)c3)nnc2N2CCC[C@](C)(C#N)C2)CCCCC1 1619644576 AUCPXOWPIFJVGT-XMMPIXPASA-N 437.588 4.681 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 1625220700 OBFRFAISHDIFON-JXFKEZNVSA-N 435.996 4.893 30 10 IJEE C=CCC1(CNC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)c(F)c2)CCCC1 1625401226 ILAKVIZJJNPBEA-UHFFFAOYSA-N 426.492 4.631 30 10 IJEE C=CCc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cc(OC)c1OC 1625413648 SWICYRFCBHCGMQ-RUCARUNLSA-N 430.342 4.871 30 10 IJEE C#CCCCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1631644280 DFPVHPRJKVNBFS-UHFFFAOYSA-N 426.582 4.627 30 10 IJEE C[C@@H](c1ccsc1)N1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 1632052297 HGFRNCCSTMTKAU-KRWDZBQOSA-N 436.606 4.937 30 10 IJEE CCCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1632790620 HSWAJPHDFRNUHQ-IRLDBZIGSA-N 436.556 4.692 30 10 IJEE C=CCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@H](Cc1ccccc1)C(=O)OCC 1632978568 WWMUEIBPXFILOS-JOCHJYFZSA-N 437.927 4.533 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1634164076 ZYXQGGWBBXKAHQ-NRFANRHFSA-N 442.478 4.712 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCc3ccc(Cl)cc3Cl)n[nH]2)c1C 1635096826 NOFNLGKUIBZIIP-UHFFFAOYSA-N 432.355 4.745 30 10 IJEE C=CCOc1ccc(CC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1 1636900725 PQCYMXUYKPWOLF-MUUNZHRXSA-N 427.544 4.657 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1cc(C#N)ccc1NC1CC1)Cc1ccccc1 1639417671 CJKGQRFGYUWHBU-FQEVSTJZSA-N 434.540 4.597 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cccc(Nc3nc(C)cs3)c2)CCCN1C(=O)OC(C)(C)C 1645118962 ZWGAMTWHCJTSKO-QHCPKHFHSA-N 440.569 4.927 30 10 IJEE C#CCN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H]1CCCc2ccccc21 1648423619 BMPIHDNCVDCXQV-FQEVSTJZSA-N 426.442 4.533 30 10 IJEE C=CCn1c(SC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nc2sc(C)c(C)c2c1=O 1651629085 AVDPZUQETQKQMO-CJNGLKHVSA-N 449.642 4.856 30 10 IJEE COc1cc(OC)cc(N2CC[C@@H](NCc3cccc(OCc4cccc(C#N)c4)c3)C2)c1 1656651933 CWUAVKKJGKQZBI-HSZRJFAPSA-N 443.547 4.523 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NCC2CCN(C(=O)OCc3ccccc3)CC2)cc1 1657938728 LOWOHXZMDRHQAZ-UHFFFAOYSA-N 447.579 4.962 30 10 IJEE N#Cc1ccc(S(=O)(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)c(F)c1 1660935651 CRRQQGUBFICRDF-UHFFFAOYSA-N 446.548 4.656 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCc1cccc(Cl)c1 1661876716 YPEULXBVKMXHLU-UHFFFAOYSA-N 446.769 4.802 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 1662945756 COOUNHQPTDGBFD-OAHLLOKOSA-N 430.517 4.849 30 10 IJEE C#C[C@H](N[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC)c1ccc(Br)cc1 1664837883 KOWRDEGUNKDMMZ-DYVFJYSZSA-N 435.749 4.792 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCC(C(=O)c4c(F)cc(F)cc4F)CC3)cc2n1 1664849458 HLYGKGRUNOJHCW-UHFFFAOYSA-N 442.441 4.766 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)C1 1667648722 JTWFKFFIIGDUOX-SFHVURJKSA-N 448.498 4.764 30 10 IJEE COC(=O)c1ccc2c(c1)CCN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)C2 1668454410 GUJWCDUAEXSRKS-UHFFFAOYSA-N 427.460 4.727 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cc(COc2cccc(F)c2)ccc1OC 1668478926 NZQSQOYJZYWGHE-UHFFFAOYSA-N 434.467 4.747 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Br)c(OCC2CCCCC2)c1)[C@H]1CCCO1 1673338042 YFFFKDCTYHHXCJ-RBUKOAKNSA-N 435.362 4.711 30 10 IJEE Cc1cc(Oc2ccccc2)ccc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1674275047 FOFVEXCDGZKEBD-LAUBAEHRSA-N 436.512 4.668 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C(C)C 1675964751 UVGQEDAYJFZJIQ-VWLOTQADSA-N 440.676 4.951 30 10 IJEE C=CCc1cc(CNC(=O)N(C)[C@H]2C[C@@H](OCC)C23CCCCC3)cc(OC)c1OC 1676274831 JCMBQOKKWBWALX-FCHUYYIVSA-N 430.589 4.702 30 10 IJEE C=CCOc1ccccc1CNC(=O)Nc1ccc(Br)cc1OC(F)F 1681100712 SIJVSCQTHDECSO-UHFFFAOYSA-N 427.245 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(CC)CC)Cc1ccc(Cl)c(Cl)c1 1681943377 IMNUVUMHAZHPRS-GHTZIAJQSA-N 442.431 4.828 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)c1ccccc1 1684987781 BXNIPWHARPNXID-DNQXCXABSA-N 442.003 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nc(C(C)C)cs1 1690038259 JFZVGEMXWLJJSN-UHFFFAOYSA-N 441.963 4.829 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1C1CCCCC1 1690083378 DRCIYGJTPYZPMS-DEOSSOPVSA-N 449.643 4.731 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1690295712 KNEDNGSZSKYDCJ-UHFFFAOYSA-N 427.549 4.721 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CC)Cc1cnn(C)c1 1690331411 WALUPEWYKPXZFT-UHFFFAOYSA-N 449.990 4.865 30 10 IJEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690515404 MBBQURFQWOXYBF-OAQYLSRUSA-N 439.604 4.842 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nc(C)c(C)s1 1690533595 OVVSNAWTUKVIKA-UHFFFAOYSA-N 425.602 4.898 30 10 IJEE C=CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(COC(C)(C)C)c1)C1CC1 1690548645 JFVKGIIXJRCYIF-UHFFFAOYSA-N 431.584 4.782 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1Cc1oc(CC)nc1C 1690602390 OLBIFUOJQACJKP-UHFFFAOYSA-N 442.567 4.791 30 10 IJEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)s1 1693078338 CONVUBTZASMARX-QFIPXVFZSA-N 448.640 4.944 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(OCCC)nc1 1705481852 NSEUUJXRUGQRPW-ZWKOTPCHSA-N 449.624 4.821 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCN(C)CC(F)(F)F 1705484546 QVAFBLLAGLABKY-ZDUSSCGKSA-N 448.320 4.594 30 10 IJEE C#CCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](OCCC)CC1 1705528753 QPKSZKZOLJNOTG-SFHVURJKSA-N 445.405 4.907 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(SC)CCC1 1705545507 CUDIBMZYSJWFJG-UHFFFAOYSA-N 439.810 4.716 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCC1(C)C 1705577084 VMYSIPPOGRPLKR-OAQYLSRUSA-N 434.584 4.640 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(C)CCC 1705697305 UIENPSVARIXDDW-XJKSGUPXSA-N 425.396 4.597 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705703314 MCNHRXYSBDWMOZ-FYYLOGMGSA-N 435.547 4.875 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc2ccccc2s1 1705711249 FLDQALNIVNAKMC-XMMPIXPASA-N 440.613 4.984 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705716255 FFDJJMNFTPQSLR-PMACEKPBSA-N 445.602 4.918 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705759843 WLISFFHWLIUTSN-HSZRJFAPSA-N 448.995 4.650 30 10 IJEE C=C1CCN(c2nnc(CCc3ccccc3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 1705771034 DUFZHNMXACRXHN-UHFFFAOYSA-N 444.627 4.940 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 1705776595 JZDYDDRALKULCR-AVRWGWEMSA-N 442.579 4.901 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1705785115 WHEMHVJHXBHUPE-RCZVLFRGSA-N 438.616 4.937 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCCN1CCCC[C@H]1C 1705834351 JFGQKVNOGPPZQX-IRLDBZIGSA-N 425.621 4.922 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cnn(CC(C)C)c1C 1705837178 SHFJPMVNWHLAMP-QGZVFWFLSA-N 438.645 4.963 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705871637 RAZUKCBAGITVLH-GJZUVCINSA-N 436.600 4.759 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(C)CCCC2)C1 1705929087 ZMZRVYKLFINACK-IBGZPJMESA-N 442.629 4.941 30 10 IJEE CO[C@](C)(Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@H](C)C#N)C1CC1 1711492025 AWNWYTLBWPTYET-WAIKUNEKSA-N 427.618 4.686 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(O)CCCCCC1 1722281563 UZYSHJFFPLCPNY-GOSISDBHSA-N 449.624 4.920 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)c1ncc(C)s1 1722373746 QDZCFENRUYEWDS-GHTZIAJQSA-N 447.608 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N(C)CC1CC(F)(F)C1 1722507186 WYHPYKXSFPRJPE-IRLDBZIGSA-N 430.543 4.526 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC[C@H](COC)C1 1722520712 GVWDXXJEASRFPY-KRWDZBQOSA-N 433.394 4.845 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCCOCC)CC1 1722576025 HKVXPJUULTYILV-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722600219 MDSYMRBDIOUAGP-OALUTQOASA-N 445.405 4.927 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1C[C@H]1CCCN(C(C)C)C1 1722656568 FDZNWBIOJUXHJE-QHCPKHFHSA-N 432.616 4.730 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N(C)[C@H]2C[C@@H](OCC)C2(C)C)cc1 1722706331 RETBUVATJVWPIN-XZOQPEGZSA-N 447.583 4.593 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](CC(C)C)N(C)C)c2ccccc2n1 1724203315 BFTBTUMNBHGQDV-UXHICEINSA-N 433.604 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCN1CCC 1740535722 TZSIJCBGDNRWMM-ZVDOUQERSA-N 444.023 4.794 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(O)CCCCCC1 1740538384 GKTSJMQVXIRLQF-MSOLQXFVSA-N 426.630 4.675 30 10 IJEE C#CCCCCn1c(COc2ccccc2CC)nnc1N1CCC([C@@H]2CCCO2)CC1 1740579569 LRJIQUXSJXBNPO-DEOSSOPVSA-N 436.600 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(CC)noc1C 1740648534 LUVQVZXESHIDKC-UHFFFAOYSA-N 442.350 4.622 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(O)(CC)CC 1740662864 YFVDKGBGXMZCEC-GOSISDBHSA-N 432.996 4.699 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1c(C)noc1C 1740738494 IEFQKSRZWDFPBC-SFHVURJKSA-N 444.377 4.970 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@](C)(CC)C1 1740748537 HQJZGOJXHSGNGE-NRFANRHFSA-N 449.393 4.791 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1C(C)C 1740754273 DGYQWIKCEDOHRK-JTAQYXEDSA-N 440.588 4.568 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[C@H](OC)C(F)(F)F 1740772267 UAMHHFDUCBXXFD-IBGZPJMESA-N 448.493 4.501 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1740878076 HIWQZNXICOYUOP-UHFFFAOYSA-N 427.637 4.596 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)cc2)nnc1N(C)OC1CCCC1 1740883629 AWJVLTXTKUXPOF-UHFFFAOYSA-N 435.366 4.611 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C2CCCC2)n1CCC(=O)N1CCCCCC1 1740935615 RXFXZDFOVSIKMB-UHFFFAOYSA-N 449.643 4.964 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1740942349 MDILGXQDHVAXJP-WBVHZDCISA-N 443.539 4.566 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1741517520 GFFYGXVKARHEKE-SFHVURJKSA-N 440.558 4.586 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C)C1 1749239955 QMKMFAMCNQBOOW-HXUWFJFHSA-N 426.605 4.984 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1749341212 BCYOGPUQQOJSKU-IBGZPJMESA-N 429.609 4.595 30 10 IJEE C=CCCCn1c(-c2ccccc2F)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749419706 NEBRFAVFPRLHGS-GOSISDBHSA-N 443.567 4.744 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1cccc(F)c1)C1CC1 1749527854 TZZVSELOBBYOSO-NHCUHLMSSA-N 428.552 4.570 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc3cccnc23)n1C[C@](C)(O)c1ccsc1 1749564949 GNRVOUNXASBZRO-DEOSSOPVSA-N 431.565 4.641 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1[C@@H]1C[C@H]1CCC 1749593900 CHALTXHNOJCKAN-RDTXWAMCSA-N 437.357 4.847 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1C1CCC1 1760130716 OLCNBJRDUKBIDA-GOSISDBHSA-N 430.394 4.619 30 10 IJEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 1760207123 YFAHLFVLJMGVHE-AHWVRZQESA-N 430.596 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2Cl)n1C/C=C\CC 1760213911 VTNDYMSRNFSDPE-CLFYSBASSA-N 431.765 4.790 30 10 IJEE C=C(Br)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)OC1CCCC1 1760303888 BQYKFUVZCNVWBP-UHFFFAOYSA-N 428.334 4.712 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1760342322 GSIONTJLQNRALJ-PKOBYXMFSA-N 429.996 4.696 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1760342886 PHFSFXQCCKWMTK-ZWKOTPCHSA-N 433.394 4.924 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C2CC2)C1 1760370682 AENHOTSVAXEGHH-OAHLLOKOSA-N 437.769 4.705 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)c2ccccn2)CC1 1760403129 HJLLXRDUTVLWGA-UHFFFAOYSA-N 431.584 4.653 30 10 IJEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1760442093 FTMSVEGLVWBXRX-QUCCMNQESA-N 435.597 4.618 30 10 IJEE C=CCCOCCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760447755 QKEGRQAEPSLYLC-BWTSREIZSA-N 431.378 4.535 30 10 IJEE C=CCN(c1nnc(-c2ccccc2C)n1CCCN(C)C(=O)OC(C)(C)C)C1CC1 1760472970 XLPQZGOTAZNEEE-UHFFFAOYSA-N 425.577 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1csc(C(C)C)n1 1760492255 MJTGFZXYWHIWNN-UHFFFAOYSA-N 437.569 4.675 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](c2ccnn2C)C1 1760532589 ZERNKNSFGCCZKG-UXHICEINSA-N 434.588 4.522 30 10 IJEE CC[C@H](Oc1ccc(/C=C2\SC(=Nc3ccc(C)cc3O)N(CC)C2=O)cc1)C(=O)O 1772763877 YWQACMVOPZYELC-JPHJDBMGSA-N 440.521 4.567 30 10 IJEE COc1cc(C=NNc2nnc3c(n2)[nH]c2ccccc23)ccc1OCc1ccc(C)cc1 1772764805 DUMXINYEGBDRKD-UHFFFAOYSA-N 438.491 4.848 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1OCC(=O)Nc1cccc(Cl)c1Cl 1858812540 BWRMQCIUGVEURT-UHFFFAOYSA-N 435.311 4.612 30 10 IJEE COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)nn2Cc2ccc(F)cc2)cc1 1859399500 RXXKKCORPORCBA-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 1860729439 HWIRTHZBCMADQG-XBXARRHUSA-N 427.806 4.987 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2Cl)cc1C 1862402847 IQTNREAFRKHMKZ-QFIPXVFZSA-N 448.906 4.831 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(=O)OC)cc1 1862419642 WVSVZIPHSGLSQQ-HXUWFJFHSA-N 443.446 4.520 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1862480803 PFYSQHQSCXVOAJ-HXUWFJFHSA-N 434.473 4.743 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccc(F)cc2F)c1 1862490798 DQBRREGBWKCGDT-NRFANRHFSA-N 429.463 4.585 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(Cl)cc1 1862491507 VIAZWQXKXVKWKG-OAQYLSRUSA-N 427.928 4.962 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1862536197 STMKGVPMURCMQV-NFHUAXAMSA-N 435.520 4.817 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2cccc(F)c2)c1 1862555969 MBFDWCZTFWEGJY-OAQYLSRUSA-N 436.870 4.840 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862703575 IZHPSCTYFINJSQ-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc4c3CCCC4)C2=O)c1 1862933870 CVAOMIJCKLLNQX-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1870105708 FSJULNIOFUFNSJ-UHFFFAOYSA-N 437.931 4.574 30 10 IJEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1870811513 AKNPJUZYVHIQDD-UHFFFAOYSA-N 445.991 4.563 30 10 IJEE C=CCn1cc(OCc2cccc(C)c2)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871070321 ZSUJRKYQRNPWCE-UHFFFAOYSA-N 431.536 4.801 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1ccccc1C 1871167643 FNSAURZYJGUYDQ-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cccc(C)c1C 1871250966 GRBBOEKIFZMSGO-UHFFFAOYSA-N 445.563 4.955 30 10 IJEE C=CCn1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(I)c1C 1871323964 KYLDSDSQIMYOFX-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE CCn1cc(/C=C2\Oc3c(ccc4c3CN(CCOC(C)C)CO4)C2=O)c2ccccc21 1871345282 CILQXPMOAKWKNC-CFRMEGHHSA-N 432.520 4.854 30 10 IJEE COC(=O)c1cccc(COc2cc(C)c3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 1871415926 BHEDZHJGGVWYME-UUYOSTAYSA-N 445.427 4.885 30 10 IJEE CCc1cccc(C)c1NC(=O)COc1ccc2c(c1C)O/C(=C\c1ccncc1)C2=O 1871424474 KQSUCLVVXAQBBA-HMAPJEAMSA-N 428.488 4.895 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(C)cc1)C(C)C)S(=O)(=O)c1ccc(Cl)cc1 1871753990 LJTCKYNCUZEWDN-NRFANRHFSA-N 434.989 4.879 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871982327 ZUMURDWVPNKNNB-OAHLLOKOSA-N 441.380 4.814 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccccc1C)[C@@H](C)CC)S(=O)(=O)c1ccc(OCC)cc1 1872441150 KWZBUHCGXXUDLP-MBSDFSHPSA-N 444.597 4.624 30 10 IJEE CCCCCCCCNC(=O)Cc1nonc1OCCOc1cccc2ccccc12 1872657283 WOOOKUFNNJLLFK-UHFFFAOYSA-N 425.529 4.700 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3cc(F)cc(F)c3)C2=O)cc1 1873309792 PNTJRVRAMDPSMU-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(C#N)c4)ccc3C2=O)c2ccccc21 1873867405 WBBRHGLKXOLUMF-ROTLSHHCSA-N 449.466 4.684 30 10 IJEE COc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1O 1874417775 SIDBOEORPXUWBV-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1cccnc1 1874426317 BVMRCLKZNLIRCV-WGOQTCKBSA-N 442.548 4.516 30 10 IJEE CC(=O)NCc1nnc(SCc2cc(C)ccc2C)n1/N=C/c1ccc(C(C)C)cc1 1874434177 RKFSMIGBWOESQT-LGJNPRDNSA-N 435.597 4.829 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCc2ccc(C(=O)OC)o2)cc1 1874438218 PNAJHXYVSBDNFY-ZVHZXABRSA-N 440.569 4.983 30 10 IJEE CCc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 1874487172 CTRLHHWOGIHLLK-MFKUBSTISA-N 435.597 4.960 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cccc(F)c1 1874513217 MPKTVFYPKVNZRA-WYMPLXKRSA-N 425.533 4.770 30 10 IJEE Cc1ccc(NC(=O)CSc2nncn2/N=C/c2ccc(C(F)(F)F)cc2)cc1C 1874534400 HDSTUOLDDRALCZ-KIBLKLHPSA-N 433.459 4.527 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(OC)cc(OC)c3)c(OC)c2)c1 1875104412 WGVRZTRSXBNYBT-CSKARUKUSA-N 448.471 4.836 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cnccn3)c(Br)c2)c(C)c1 1875134814 MRGUSHKJYXIRSN-QPJJXVBHSA-N 437.293 4.971 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1 1875150649 YCPUOWLEPSBQPW-WEVVVXLNSA-N 432.428 4.548 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(Br)cs3)cc21 1890341811 KQNLQPBLCHTVKW-UHFFFAOYSA-N 435.343 4.701 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@](C#N)(N(Cc1ccccc1)C(=O)OC(C)(C)C)C2 1934695057 AXEMPORXQISTGA-GLDPYIMESA-N 427.545 4.715 30 10 IJEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1cc(Br)cnc1C#N 1957279853 RPGWOAABUDVAJR-UHFFFAOYSA-N 445.361 4.637 30 10 IJEE C#CC(C)(C)C[C@@H](NCCC)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2002379366 YVZWXQMAHHPQIA-ATIYNZHBSA-N 427.633 4.574 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1Cl 2010543839 OYUJJYPSCMEEAO-QRWLVFNGSA-N 443.931 4.649 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C2(CCC2)C1 2075898339 MCUBXYMRUMHJOV-IAGOWNOFSA-N 448.568 4.853 30 10 IJEE COC(=O)c1c(C(F)(F)F)nn(Cc2ccc(C(F)(F)F)c(F)c2)c1Br 2080184274 LTMRTYQGXOGSNN-UHFFFAOYSA-N 449.120 4.657 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1c(F)ccc(Br)c1F 2102883677 FXGBAGICDQBFFS-RHSMWYFYSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)NCC1(CNc2cc(Br)cc(F)c2C#N)CCCC1 2107445171 VQYHFZKOJCDHMY-UHFFFAOYSA-N 426.330 4.957 30 10 IJEE CC(C)(C)OC(=O)NC[C@H](Nc1cc(Br)cc(F)c1C#N)C1CCCC1 2107451573 PWHUWNVUZYYNJP-KRWDZBQOSA-N 426.330 4.955 30 10 IJEE C[C@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CCN1Cc1ccc(Br)cc1C#N 2174564702 GIMUVZFWCWMGPO-HOTGVXAUSA-N 436.394 4.836 30 10 IJEE CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)c(Br)c1F 2174762931 GXMDZKXVOSIXFT-UHFFFAOYSA-N 440.357 4.933 30 10 IJEE CCN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2174809659 CIGBDIUOMKPUDW-CXAGYDPISA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2Nc1cc(Br)cc(F)c1C#N 2175901835 RILWPDBXTKXCLD-JLZZUVOBSA-N 438.341 4.906 30 10 IJEE Cc1nc(N(C)[C@@H]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@H]32)ccc1B1OC(C)(C)C(C)(C)O1 2190478345 LFHMLKIDKAOBBI-JVNMPXIPSA-N 448.416 4.509 30 10 IJEE O=C(NC[C@@H](Nc1ccc([C@@H](F)C(F)(F)F)cn1)C(F)(F)F)OCc1ccccc1 2199321598 YZCTXPZAUQLFCC-UKRRQHHQSA-N 439.331 4.924 30 10 IJEE C=C(C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)[Si](C)(C)C 2221679349 IGAKENIGBMEALQ-INIZCTEOSA-N 426.427 4.888 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2235721471 IVUZMUYONOIDKY-OALUTQOASA-N 437.422 4.964 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2235734477 WNMBGIXDPKBDIW-LMMKCTJWSA-N 435.406 4.718 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C12CCC(CC1)N2C(=O)OC(C)(C)C 2235745173 BHCCUSMTBRMWFR-IMYXXEESSA-N 433.390 4.711 30 10 IJEE CN(CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2241486221 LFOMCJBVOQFDCR-ZEQRLZLVSA-N 448.416 4.630 30 10 IJEE CC1(C)OB(c2csc(C(=O)N(Cc3ccccc3)CC3CC3)c2Cl)OC1(C)C 2243380088 UHDBUDCLYBKDCX-UHFFFAOYSA-N 431.794 4.753 30 10 IJEE C=C[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(F)c(F)c(Br)c(F)c1F 2267837752 LGMAJUMGTWHKQD-AYVTZFPOSA-N 441.263 4.735 30 10 IJEE O=C(C#Cc1ccccc1Br)[C@H](O)c1sc(Cl)cc1Br 2288259782 YVYAJVFVUDBSQV-ZDUSSCGKSA-N 434.536 4.581 30 10 IJEE CN[C@@H](C#CC1CCCC1)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2289685159 RIAATCDYQSMVQJ-PMACEKPBSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(c3cc(Br)c(C#N)cc3F)[C@@H]2C1 2290264019 NQTYCYFUAGGNNV-FZKQIMNGSA-N 438.341 4.686 30 10 IJEE Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)no1 2296098674 GVQABCUZZFYYQO-GOSISDBHSA-N 429.259 4.916 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@]1(C)CCN1C(=O)OC(C)(C)C 2296279249 NCDDPOPPZQPYNL-DENIHFKCSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2296297524 ZZHNIRINESWZCL-IEBWSBKVSA-N 433.390 4.568 30 10 IJEE CCN(C(=O)OC(C)(C)C)c1ccc([C@@H](N)C#Cc2ccc(Br)cc2)cn1 2296302921 PJIAIIQPIUVLLW-SFHVURJKSA-N 430.346 4.657 30 10 IJEE COc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)c1 2296557901 YCZYTDVJXHBUDS-HSZRJFAPSA-N 428.488 4.840 30 10 IJEE O=C1C(=CNc2ccc(Cl)cc2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 2297378292 OCLIYBIGCLFSRT-UHFFFAOYSA-N 430.938 4.888 30 10 IJEE CC1(C)OB([C@@H]2CCN(Cc3ccc(I)c(Cl)c3)C2)OC1(C)C 2303104652 KFOOKSSAEKPNSX-CYBMUJFWSA-N 447.553 4.613 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(Oc2cccc(NC(=O)OC(C)(C)C)c2)n1 2315407806 PUIKXMGQWNVMKP-UHFFFAOYSA-N 426.322 4.829 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2[C@@H]2CCCO2)c1OCc1cccc(Cl)c1 2321935040 UMLCHLSMGCXIFJ-SFHVURJKSA-N 444.944 4.542 30 10 IJEE Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccc3c(c2)OCO3)C4)o1 2322102213 OSNXBPBMYFIKQB-UHFFFAOYSA-N 431.444 4.593 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)OC(=Cc2cn(C)c4ccccc24)C3=O)C1 2322401724 FZYIMFANOUIHJO-UHFFFAOYSA-N 445.563 4.597 30 10 IJEE CC(C)(C)c1ccc(C=NNc2cnn(-c3ccccc3)c(=O)c2Br)cc1 2322638162 IRCCCNYMUMFFPX-UHFFFAOYSA-N 425.330 4.739 30 10 IJEE C[C@H](NC(=O)COc1ccccc1C=CC(=O)c1ccc2c(c1)OCO2)c1ccccc1 2322687771 NMIXTRWLIYLHMP-SFHVURJKSA-N 429.472 4.568 30 10 IJEE COc1cccc(C=C2Oc3c(CN(C)Cc4ccccc4)c(O)cc(C)c3C2=O)c1OC 2324077457 IHJVZKRXHSLNBB-UHFFFAOYSA-N 445.515 4.966 30 10 IJEE C[C@@H](Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O)C(=O)Nc1nc2ccccc2s1 2325417870 TWLVITBPYRQWAT-CYBMUJFWSA-N 432.457 4.912 30 10 IJEE CCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OCC)cc1 2325549849 WVOIRJMKCLDKTP-UHFFFAOYSA-N 425.514 4.712 30 10 IJEE CC(C)(C)c1ccc(C=C2Oc3cc(OCC(=O)NCc4ccco4)ccc3C2=O)cc1 2325558985 HHUNUCPEGKKPRJ-UHFFFAOYSA-N 431.488 4.889 30 10 IJEE CCCc1ccc(OCc2nnc(SCCCO)n2N=Cc2ccc(Cl)cc2)cc1 2327395467 OZPJTGPIFNXHOP-UHFFFAOYSA-N 444.988 4.820 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c(O)c1 2328056462 ZCVBHZBMNRLMNQ-UHFFFAOYSA-N 428.945 4.678 30 10 IJEE Oc1ccc(C=Nn2c(COc3ccccc3)nnc2SCCc2ccccc2)cc1 2329919936 GOVVGYVBOXCKOB-UHFFFAOYSA-N 430.533 4.780 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 2330775858 YAWUKPKYCUCRPP-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1cccnc1 2331030755 NAIFTCUCBYTFNM-UHFFFAOYSA-N 434.569 4.506 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1OC 2331080292 AFVFCIBIATZDHU-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE Oc1ccc(Cl)cc1C=Nn1c(SCc2ccccc2F)nnc1C(F)(F)F 2331138134 YDJWFNWUSNPXQM-UHFFFAOYSA-N 430.814 4.970 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccc(F)c1 2331408224 JXVZETPCPRADGF-UHFFFAOYSA-N 434.419 4.721 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)c(Cl)cc2OC)ccc1OC(=O)c1cnccn1 2331753186 IXKMFPRHNSFBDA-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2334261051 ASVQQHCAXQAUPU-GVDBMIGSSA-N 442.365 4.646 30 10 IJEE CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338512187 KFPRXGWDRSPXQB-LEWJYISDSA-N 446.441 4.576 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CCc1ccc(OC)cc1Br 2339380391 MQTUFPBXLVGFPL-ROUUACIJSA-N 428.367 4.611 30 10 IJEE CC(C)(C)OC(=O)N1CCC=C[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339580640 DUMYXDHNMRHUAJ-LJQANCHMSA-N 442.365 4.671 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2339584502 BNSWEKXLCPXEBU-XIQMRYHBSA-N 444.381 4.798 30 10 IJEE CCCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1[C@H](NC(=O)OC(C)(C)C)C1(C)C 2360196792 XVXYMBLKFGXJOE-OTWHNJEPSA-N 435.406 4.718 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1cc(Br)cc(OC)c1)C(=O)OC(C)(C)C 2363124855 GLLCOGVZPIJXJI-LJQANCHMSA-N 439.394 4.759 30 10 IJEE CC(C)(C)OC(=O)NCc1ccccc1Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2364742232 XFLAXIFKIXSXHJ-UHFFFAOYSA-N 449.360 4.626 30 10 IJEE C[C@@H]1CCC[C@@H]1N[C@H](C#Cc1cccc(Br)c1)CCNC(=O)OC(C)(C)C 2367133744 ZMZXTJZWIWCWFB-AHRSYUTCSA-N 435.406 4.862 30 10 IJEE CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2cccc(C)c2)c2ccccc21 3041510 UUQGINIAXMPOPZ-VYIQYICTSA-N 428.561 4.795 30 10 IJEE Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1C 3042760 NBIDKQGIQWBIKO-QYQHSDTDSA-N 432.524 4.680 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O 9085639 HPJNJLVBNAYCAA-GJZGRUSLSA-N 427.957 4.594 30 10 IJEE CCCCCCSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 20135844 NFUHACDTPXPXNK-LJQANCHMSA-N 427.530 4.881 30 10 IJEE Cc1ccc(CN/C(=N\c2ccc(C(=O)O)cc2)N2CCN([C@@H](C)CC(C)C)CC2)cc1 21046965 MWBXXDPZLRLGBM-NRFANRHFSA-N 436.600 4.523 30 10 IJEE CCn1nc(C)c(CCN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2ccccc2F)c1C 32973353 GFBIRKVJORWINI-UHFFFAOYSA-N 441.938 4.753 30 10 IJEE COc1ccc(CCn2c(O)c(/N=N/c3ccc([N+](=O)[O-])cc3C)c(C)c(C#N)c2=O)cc1 39871178 FIBDDEHLANDGFO-OCEACIFDSA-N 447.451 4.617 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(F)c1)O3)CN(Cc1ccc3c(c1)OCO3)CO2 41647351 IRYNUPXXKHHUCI-AQHIEDMUSA-N 445.446 4.831 30 10 IJEE CC(=O)Nc1cc(C(=O)/N=C(/NCc2ccccn2)Nc2cc(Cl)ccc2C)ccc1C 46125304 COKKIYHJPXTECG-UHFFFAOYSA-N 449.942 4.708 30 10 IJEE COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 64874089 ZGOLPPGFDDOCJX-QFIPXVFZSA-N 448.910 4.819 30 10 IJEE Cc1nn(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(F)cc3F)cc2)c(C)c1Br 111220533 SIXSTHCBOFSVDA-SFHVURJKSA-N 445.267 4.525 30 10 IJEE N/C(=N/O)c1ccc(COc2ccc(Br)cc2Br)c(Cl)c1 163309664 SKDGLDPWCYIJSK-UHFFFAOYSA-N 434.515 4.539 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2ccccc2C)c1 169937006 HEHPWRLRGZBJEW-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(O)cc2)c1 169957730 WVQPGEDPCQJUNI-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)ccc3O)[C@H]2c2cccs2)s1 169987617 SFAOTDKFCFFWQQ-INIZCTEOSA-N 446.937 4.963 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccncc2)cc1C 170015365 TYTZLIBESDIOBH-QHCPKHFHSA-N 427.504 4.547 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 170031456 SPLRWEOJNONDPU-DEOSSOPVSA-N 431.488 4.776 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170031925 FDGRANIQNYCEMF-XMMPIXPASA-N 447.531 4.931 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@H]2c2ccc(F)cc2)cc1 170061074 SGOBNRKADOLPHC-NRFANRHFSA-N 439.389 4.895 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3F)[C@H]2c2ccc(F)cc2)cc1 170064032 IRGJUAHDMQSBDP-NRFANRHFSA-N 439.389 4.895 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccccc2F)cc1 170069259 PLTODTZOYMFHIY-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc(C)cc(C)c2OC)=C(O)C(=O)N1Cc1ccco1 170123360 CVGLOWSBCQGJAR-JOCHJYFZSA-N 447.487 4.692 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1ccccc1 170232351 WEBTVQCZQHLFBR-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)c1 170289084 SBMYYIMHQHOSSC-QFIPXVFZSA-N 433.460 4.864 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1c(C)[nH]c2ccccc12 170311790 UZLUTJKTPRNCRN-HSZRJFAPSA-N 446.503 4.626 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@@H]1c1ccncc1 170483068 YVXZFJYGTYVPKI-MRXNPFEDSA-N 445.903 4.999 30 10 IJEE CCN(CC)c1ccc(C=NN(C)CCN(C)N=Cc2ccc(N(CC)CC)cc2)cc1 254517597 HHQKHCBLIXHWBX-UHFFFAOYSA-N 436.648 4.611 30 10 IJEE C=CCN(C(=O)c1sc(-c2ccc(F)cc2)nc1C)c1nc(C(=O)OCC)cs1 409818326 VQIXSGKEJSXKFP-UHFFFAOYSA-N 431.514 4.724 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)C1=O 439382173 QLHDQOYBHMCNEA-LJQANCHMSA-N 438.528 4.661 30 10 IJEE C=CCC[C@H](NC(=O)N1C[C@@H](CC)O[C@]2(CCOC2)C1)c1ccc(C(F)(F)F)cc1 474565056 XLRXSXQIUWBFKY-SVFBPWRDSA-N 426.479 4.692 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 475465257 BGPOHXDFTDUMMR-CQSZACIVSA-N 434.353 4.754 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NCC1CCCCC1 489611896 BURNMUBTBNTTAV-GOSISDBHSA-N 428.602 4.529 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 524994985 LLNREXISNKHZDN-UHFFFAOYSA-N 432.366 4.512 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 549263348 YXWKYEPBPSPWBO-FCHUYYIVSA-N 436.943 4.762 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 555267224 RLZNZJNFZZYLIR-LJQANCHMSA-N 447.370 4.622 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(NC(=O)N(C)Cc3ccccc3)CC2)c1 586095381 WESZITIFCBRKEO-UHFFFAOYSA-N 448.611 4.970 30 10 IJEE C=CCn1c(SCC(=O)N[C@H]2c3ccccc3C[C@@H]2C)nnc1-c1ccc(Cl)cc1 599904879 LDQQYRPAJPURLI-YCRPNKLZSA-N 438.984 4.926 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1csc(Cc2cccc(F)c2)n1 780304935 BBIRLUBMKLVQHA-IBGZPJMESA-N 435.524 4.959 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc2c(c1)CCCC2)[n+]1cccc(O)c1 917612574 ZRPLGZCCJVCTMZ-UHFFFAOYSA-O 428.537 4.753 30 10 IJEE COc1cccc(C(=O)CSc2n[nH]c(NN=Cc3cccc(Cl)c3Cl)n2)c1 1084002589 FJUITQIQEFDXGR-UHFFFAOYSA-N 436.324 4.541 30 10 IJEE C#CCN(C(=O)CCc1ccc(C)cc1C)[C@@H]1CCOc2ccc(Br)cc21 1126151604 RLLGFLGBSKNADJ-OAQYLSRUSA-N 426.354 4.984 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)CCCC1(C)C 1128473098 GZDIYWIGDKPQEV-IBGZPJMESA-N 431.577 4.996 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C(F)(F)F)cc1 1128865687 ADJMXJAMALSDON-INIZCTEOSA-N 445.296 4.647 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(OC)c(SC)c2)nnc1-c1ccco1 1129591405 BSFRMVNVRDYYJE-UHFFFAOYSA-N 430.555 4.576 30 10 IJEE C#C[C@H](NC(=O)c1nc(COC)sc1-c1ccccc1)c1ccc(Br)cc1 1129608333 DKUHAYJICWPYJM-KRWDZBQOSA-N 441.350 4.823 30 10 IJEE C#C[C@H](NC(=O)[C@@H](C)c1ccc(I)cc1)c1ccc(Cl)cc1F 1129738833 MBNDOEMBOOKAGC-GTNSWQLSSA-N 441.671 4.678 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(Br)c(Cl)c1F 1135049361 WJYIGJDNTHBBNY-GFCCVEGCSA-N 448.720 4.767 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c1 1136529775 OLDAJRRRLFPASC-UHFFFAOYSA-N 447.560 4.579 30 10 IJEE C#Cc1cccc(N(CC)C(=O)C2CC3(C2)C[C@@H](NC(=O)OC(C)(C)C)CCS3)c1 1136643692 SWEUCYAZNUXSIU-SZTYLXMGSA-N 428.598 4.590 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCC#N 1136708793 LSRGJDMYQKXJHB-XMMPIXPASA-N 431.536 4.670 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 1141255367 IAYUJMNQSYBAKM-UHFFFAOYSA-N 440.478 4.632 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1cccc(Br)c1 1142742377 CCIPNRSDRUTTOZ-INIZCTEOSA-N 440.341 4.561 30 10 IJEE C=CCC[C@H](NCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)c1ccccc1 1192710684 REMVIAUPFGEERU-LPHOPBHVSA-N 426.582 4.895 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 1198966049 PRZDSJAYFXXZQJ-DEOSSOPVSA-N 427.504 4.770 30 10 IJEE COc1cc(F)cc(C[C@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 1205104041 GDWSIXIJCSCYAM-INIZCTEOSA-N 449.530 4.942 30 10 IJEE C=C(Cl)C[C@@H](N[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OCC 1207129790 RUMFTSIRTUZEQZ-XHDPSFHLSA-N 441.277 4.740 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2oc3c(C)cccc3c2C)cc1 1214686588 BFLVJILBYURAII-UHFFFAOYSA-N 441.553 4.520 30 10 IJEE C=CCOCCNC(=O)NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 1226166356 XDPFWJRMJKMTIN-UHFFFAOYSA-N 430.373 4.778 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C)[C@@H]1CCCc2ccccc21 1251488463 BHYDGYDLSFCTDX-PKTZIBPZSA-N 434.490 4.510 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H](SC)C(C)(C)C)nnc1-c1ccc(Cl)cc1 1268994423 FEVWQEAJCWQBQF-INIZCTEOSA-N 439.050 4.771 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(CCOCC)CC1 1286283452 XQESPZOBBOYMRU-QGZVFWFLSA-N 445.405 4.681 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC(OCc2ccccc2F)CC1 1286318060 XBENQDSGYKWJAZ-UHFFFAOYSA-N 436.531 4.975 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC(C)CC1 1286359321 BUXZHYXJGPJMQC-MHJFOBGBSA-N 429.609 4.778 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCC[C@H](O)C1 1286450590 DYVADBCEKMUUBX-ZVDOUQERSA-N 445.007 4.699 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1286536811 RPOMBSSEJAAHAI-KRWDZBQOSA-N 428.334 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(Cl)c1 1286557907 LBAKIGAZBQMYHQ-XXBNENTESA-N 437.975 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N(C)CCCc1ccccn1 1286558336 NPBGQFRJHRBZHG-OZXSUGGESA-N 445.611 4.623 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)Cc1ccsc1 1286606624 WKOGEWZJQHXMIZ-UHFFFAOYSA-N 435.553 4.891 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2F)CC1)c1ccccc1 1286680352 YDKPUEHKMFFJQR-JOCHJYFZSA-N 448.590 4.697 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc2ccccc2s1 1286766309 ONZXPOUIZWKEKN-UHFFFAOYSA-N 439.972 4.895 30 10 IJEE C[C@@H]1C[C@@H](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1291020322 DOEGDVHVUCZQFH-QNFRPBLGSA-N 443.636 4.532 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)CSc3nc(-c4ccccc4)no3)cc2)nc1 1292265803 GFSKAFTWOFTDKM-UHFFFAOYSA-N 429.461 4.526 30 10 IJEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@@H](C)OC)n2)C1 1293388981 FJDUTRZMKKJYSZ-IAGOWNOFSA-N 436.585 4.655 30 10 IJEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CC)CCCC2)C[C@H](C)O1 1293636563 DHQSERUJQSAWGO-PZJWPPBQSA-N 437.588 4.703 30 10 IJEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)c1cccs1 1295720763 BDZYNHNXERGHNY-FQEVSTJZSA-N 435.597 4.861 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 1297140243 XMLAPDNHSXIDFT-JLTOFOAXSA-N 449.334 4.662 30 10 IJEE CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1 1298169055 CAHKVEUEJZRLHD-UHFFFAOYSA-N 428.467 4.961 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)cc(Br)c1 1299427206 FMIYDODMUOYOIZ-INIZCTEOSA-N 445.785 4.968 30 10 IJEE COc1ccc([C@@H](C)CCn2c(-c3cccc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1299979996 BGXBJPMOFPPWSL-AFMDSPMNSA-N 444.583 4.981 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CCN(CCC)C(=O)OC(C)(C)C 1300276136 HMZJXNIULLRRLI-QGZVFWFLSA-N 445.995 4.704 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1c(CC)nn(C)c1CC 1300286848 OSBUMUACNISJQY-AWEZNQCLSA-N 445.398 4.616 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1300830441 WXKOIWFRTYRELI-GJZGRUSLSA-N 439.304 4.690 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(F)(F)c2ccccc2)CC1 1301110248 YYBMNPIGNASBFT-HSZRJFAPSA-N 446.542 4.513 30 10 IJEE C=CC1CCN(c2nnc(C3CCCC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1301120111 HSADSHJFIXNUNU-UHFFFAOYSA-N 425.543 4.612 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N(C)C 1301310781 SJUUTQDOTIWBIU-GOSISDBHSA-N 431.993 4.742 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C 1301366293 AQPYQGJVSJHFEL-MQSCRBSSSA-N 439.673 4.974 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCCN1CC 1301379462 LTBNAILUIVWJOQ-QGZVFWFLSA-N 448.384 4.509 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1301412578 DKKVRCZXHHWHOR-XXBNENTESA-N 439.629 4.813 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 1310818682 HZDQMZCZQMONOU-UHFFFAOYSA-N 430.508 4.844 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cccc(C)n1 1316445023 DDUPSNHUAMUWDF-IBGZPJMESA-N 434.613 4.731 30 10 IJEE N#CCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccccc2C(F)(F)F)CC1 1316537647 FBIBGLFQKNWSLK-FQEVSTJZSA-N 447.505 4.911 30 10 IJEE C#CCCOc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccc(F)cc2)cc1 1352085418 LIGAWYBJKNZXOU-VWLOTQADSA-N 442.490 4.828 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1357735030 SWWYEPMKXGRWQN-RUZDIDTESA-N 441.572 4.643 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(c2ccccn2)CCC1 1358871689 JBPOTIPYENWVJF-RTBURBONSA-N 433.531 4.532 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCOC2(CCCC2)C1 1358923161 DIRBWDGZHGIACO-UHFFFAOYSA-N 443.389 4.579 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1Cc1cscc1C 1358986732 GABBAZHSWXHXRC-UHFFFAOYSA-N 439.382 4.589 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1Cc1cc(C(CC)CC)no1 1358988361 MEEJOFKYYCTSGL-UHFFFAOYSA-N 429.568 4.910 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1C[C@H](CC(C)C)N(C)C 1359017122 UZJOZFKCRLZMBB-QFIPXVFZSA-N 427.612 4.622 30 10 IJEE C=C(Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(C)C)C1)c1ccccc1 1359139808 FCJMKJYZPMRBNR-NRFANRHFSA-N 449.624 4.855 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1359200519 IUUMJFCKELGAFZ-QGZVFWFLSA-N 445.493 4.753 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1C[C@H](F)c1ccc(Br)cc1)C1CC1 1359249139 PNRAIXAHAAIGAH-SFHVURJKSA-N 444.352 4.912 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1)C1CC1 1359253323 APJSBEYRLMLKSW-IBGZPJMESA-N 444.023 4.786 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@H](C)N1CCCCC1)C1CC1 1359253783 URCCFRUQJMOZPG-CEMLEFRQSA-N 429.653 4.616 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccccc2C1)C(C)C 1359265349 DFUKYTVGEQHEBE-RPBOFIJWSA-N 449.643 4.781 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1CCc1cn2ccccc2n1 1359274139 BSSUAQSEISAVGY-UHFFFAOYSA-N 428.584 4.701 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@@H]1OCCC1(C)C 1359276822 RCFMDQGDXWAGET-QFIPXVFZSA-N 436.556 4.597 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1c2ccccc2OCCN1C(=O)OC(C)(C)C 1360164584 YIFAYUHAEPLJQG-QFIPXVFZSA-N 428.573 4.952 30 10 IJEE C=CC[C@]1(C(=O)Nc2nnc(CC3CCCCC3)s2)CCCN1C(=O)OC(C)(C)C 1435099560 HQFUSOBYKDKMTD-JOCHJYFZSA-N 434.606 4.945 30 10 IJEE C=CCn1ncc2ccc(NC(=O)[C@H]3CSCN3C(=O)c3ccc(C(C)(C)C)cc3)cc21 1439757176 LRFMPOOOHNLHFX-JOCHJYFZSA-N 448.592 4.674 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnn(CCC)c1C)c1ccc2c(c1)OCCO2 1443633582 JFOSIRFMJFHLOV-UHFFFAOYSA-N 447.535 4.785 30 10 IJEE C=CCCC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1ccccc1 1455294302 UYFWIZCRPNZABJ-OLJONYEBSA-N 437.584 4.987 30 10 IJEE C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 1458347052 GGZRVJHZRKDDNS-PXDATVDWSA-N 439.559 4.778 30 10 IJEE C#C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)[C@H]1CCCO1 1459987583 PQXGCMRRXONHFU-FGZHOGPDSA-N 436.353 4.572 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 1460796320 BTTVTFJFLLNUFV-VQTJNVASSA-N 436.625 4.763 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 1462695361 UMPQMEMSWQTKCT-UHFFFAOYSA-N 435.368 4.954 30 10 IJEE Cc1cccc(Oc2ccccc2NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1465098622 BWRLDPXDCSUURX-XLIONFOSSA-N 436.512 4.668 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2)c1ccc(F)c(F)c1 1467345181 FULHBSQCTTYAEA-FQEVSTJZSA-N 429.467 4.785 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1cc(Cl)ccc1OC 1469221597 JZEBVNASXZSLND-HNNXBMFYSA-N 431.360 4.736 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1 1469780760 KNVLHFQCUBBXPV-UHFFFAOYSA-N 427.570 4.875 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 1469889800 CXLVPVRRVUTTEL-QGZVFWFLSA-N 447.988 4.731 30 10 IJEE C=CCn1c(SCc2c(Cl)cncc2Cl)nnc1[C@@H]1COc2ccccc2O1 1472934513 FAMMIUGJUGLUCC-KRWDZBQOSA-N 435.336 4.971 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCN(c3cccc(F)c3)C2)cc1OC 1474001056 ZQWCWTQAPALWEG-GOSISDBHSA-N 449.364 4.920 30 10 IJEE C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 1476430129 WDKBPKVXDFTFKI-GOSISDBHSA-N 432.307 4.640 30 10 IJEE N#CCCN(CC1CC1)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccco1 1505324207 BBOPZNJTLXTRAY-UHFFFAOYSA-N 446.338 4.935 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCc1ccc(C)c(OC)c1 1507606802 XRXQJAJAMYSASF-QGZVFWFLSA-N 434.609 4.761 30 10 IJEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1507610784 HLTRNBLBMYYIDQ-DENIHFKCSA-N 447.583 4.899 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCc1ccsc1 1507680508 IAHMOFOXTYLOEL-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1507830961 RBIAMJDSUIHYJF-MRXNPFEDSA-N 442.514 4.614 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 1507890320 ZKVMDMLFNILJPT-MRXNPFEDSA-N 444.004 4.911 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1507903441 DBYWZAPLHGTAHT-VWLOTQADSA-N 435.660 4.834 30 10 IJEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)CC[C@H]1C 1507925738 JYFYKIXHTWYROW-QZTJIDSGSA-N 444.649 4.528 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1Cc2cccc(Br)c2C1 1507933769 SJOLLSIXCCBJCI-UHFFFAOYSA-N 438.373 4.903 30 10 IJEE C=CCCCn1c(N2CCC[C@H]2Cc2cccs2)nnc1[C@]1(OC(C)C)CCOC1 1507952680 ANLHBALAYOROQF-CVDCTZTESA-N 430.618 4.558 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1508075823 BHMKZXOPPAVLBB-MHZLTWQESA-N 447.627 4.872 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C2CC(C(C)(C)C)C2)C1 1508113690 AEGCSPOFECMIHF-MHJFOBGBSA-N 440.588 4.741 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2cnn3c(C(F)F)cc(C)nc23)C(C)(C)C)cc1 1517425645 UHOVYCZFRCDVDJ-UHFFFAOYSA-N 428.483 4.981 30 10 IJEE C=CC[C@]1(C(=O)NCCc2ccccc2OC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1525737741 BQOTUQZCCLAJKH-OAQYLSRUSA-N 442.478 4.590 30 10 IJEE COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(CC#N)c2)c1 1525933491 FJTBGKQFBOYWDT-UHFFFAOYSA-N 438.487 4.875 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c1 1525998753 UCWNVHQTSADBGH-UHFFFAOYSA-N 429.347 4.884 30 10 IJEE C#Cc1cccc(CNC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)c1 1528930146 QSYFDIFWVWIMRX-UHFFFAOYSA-N 447.560 4.992 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)cc1 1529135504 LSLCHAJYLZDRCJ-OAHLLOKOSA-N 434.344 4.815 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 1531923139 LRWMMZZYVWQVJY-JXFKEZNVSA-N 433.390 4.552 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1539005213 YAVRIYFYYYRHLH-GREBRCKQSA-N 433.556 4.509 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N(CC)CC 1539306366 WZQFGUVBPNNCCQ-QFIPXVFZSA-N 449.986 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](C)C1 1539617385 WDJFEIVNUJQVHS-XPEFGHIFSA-N 428.552 4.631 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2ccn(C)n2)CC1 1539828058 DJPBXVGTLLYTCT-SFHVURJKSA-N 440.979 4.627 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1539840656 ZLTXXCIDUOSZKA-OFNKIYASSA-N 440.588 4.570 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCCN2CCC)CC1 1539855810 IAHCWOAZACRDJJ-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1539946745 CYEKHSNOGGDMRJ-CALCHBBNSA-N 448.036 4.548 30 10 IJEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1539959912 RDOOKKOAYPTXBB-LJQANCHMSA-N 440.592 4.532 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1540052066 VWWNTOKYYDOLOY-NIYFSFCBSA-N 432.616 4.934 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1540062327 KFZDMUYCYIAPDI-VQIMIIECSA-N 445.995 4.866 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(Cl)nc1 1540158872 SPZWALIOFUBNMS-UHFFFAOYSA-N 430.339 4.882 30 10 IJEE N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)n2)c1 1540166281 HROTYKZAGPNDNE-GOSISDBHSA-N 441.318 4.734 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1cc(C)no1 1540174812 QUTUKQAELJKYOD-UHFFFAOYSA-N 434.327 4.687 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](c2cccs2)N2CCCC2)s1 1540453772 FCEMCLVLTSTNLD-OAHLLOKOSA-N 442.075 4.853 30 10 IJEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)Cc1cccs1 1540857955 XPNPGSPGGRIYDB-QGZVFWFLSA-N 431.606 4.667 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1nc2cc(Cl)ccc2s1 1545419964 YWTUWOHEDADKTE-UHFFFAOYSA-N 438.940 4.673 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 1545567530 FPGCVFFJKKFHNA-KRWDZBQOSA-N 432.908 4.552 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](CC)NC(=O)OC(C)(C)C)cc1 1546163206 HVFVJVMXIZKKRA-PXNSSMCTSA-N 440.592 4.549 30 10 IJEE C=C[C@H](C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1)c1ccccc1 1556219925 RAFVOUORAOIRGN-UXHICEINSA-N 444.369 4.935 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)CCCC1 1565064857 WQIZPNQPQDKTQA-UHFFFAOYSA-N 431.449 4.740 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@H](C3CCOCC3)C2)s1 1583367644 YKPMSPXMUJTETO-KRWDZBQOSA-N 429.051 4.894 30 10 IJEE COc1ccc([C@@H](C)NC(=O)c2cccc(COc3ccccc3C#N)c2)c(C)c1OC 1584071327 HGRDDTBANPJFAS-GOSISDBHSA-N 430.504 4.954 30 10 IJEE CC(C)COc1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)ccc1Br 1585606923 CCLYECAGHCTVOC-KRWDZBQOSA-N 426.314 4.677 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 1586140483 WWPXBENQRKKSOM-NTKDMRAZSA-N 434.580 4.952 30 10 IJEE C=CCn1c(SCC(=O)N(CCOC)[C@H]2CC[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 1586512459 ZMKLFIHHIHKMPM-APWZRJJASA-N 449.020 4.540 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1587872716 RDCXCUQLVRCDAO-UHFFFAOYSA-N 436.991 4.558 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)Cc1cccs1 1588083191 BQYPDLGADJOCFJ-OALUTQOASA-N 436.556 4.570 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1cccnc1)C(C)C 1588595720 ZRCNYMVCCMCBAL-JOCHJYFZSA-N 443.551 4.612 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1CC(C)(C)NC(=O)OC(C)(C)C 1589669133 LNMRBIHCKXESFW-UHFFFAOYSA-N 441.620 4.883 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS[C@H](C)[C@H]1C 1593825620 BRUCRUFLUDLVPK-VXGBXAGGSA-N 445.789 4.929 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(C)(C)C)C1 1593852194 NFUHQECGRLEQKT-INIZCTEOSA-N 439.785 4.711 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1593900286 JRKHAKZKWZWCBD-HXUWFJFHSA-N 428.989 4.726 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(CC)CC)N(C)C)CC1 1594102170 BKQZKVGBOAENSV-JOCHJYFZSA-N 431.575 4.670 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1594229774 UJLXQEXWZUJTHK-RUZDIDTESA-N 444.627 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCOCC 1594461727 WVKKWSZEYLOESP-UHFFFAOYSA-N 439.373 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1594520952 HMNONCDCCULDRM-RBBKRZOGSA-N 426.605 4.937 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[C@@](C)(O)c1ccccc1 1594907719 XKBAFJLIIBBAEI-HXUWFJFHSA-N 447.402 4.689 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1CC)C1CC1 1595026478 MCRPCJQHYUHGFM-UHFFFAOYSA-N 440.389 4.812 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](C1CC1)N(C)C)C1CC1 1595034196 XVFNPESJUOUWKF-FQEVSTJZSA-N 444.421 4.511 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 1595044234 PRUDDLXIODURST-ROUUACIJSA-N 444.023 4.641 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)COCC)C1CC1 1595070952 SNFBRVNDZMYRNX-IBGZPJMESA-N 447.624 4.568 30 10 IJEE C=CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1NC(=O)OC(C)(C)C)C1CC1 1595070980 UDDVUZORJPTDKB-HXUWFJFHSA-N 439.560 4.680 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CCCO1 1595162063 UTMVFEDQPAXQBF-QHCPKHFHSA-N 444.551 4.970 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1CCc1ccc(Br)s1 1595260975 NODCWUYWBCWMBS-UHFFFAOYSA-N 435.391 4.735 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H](C)c2ccc(OC)cc2)C1 1595730033 SHZYPESINBJBST-SIKLNZKXSA-N 426.605 4.850 30 10 IJEE N#Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(F)cc1F 1597366217 AQDDBROTNXBBSD-HXUWFJFHSA-N 439.849 4.990 30 10 IJEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1CCC(C(F)(F)F)CC1 1612572353 DDHNSGWJCOULIK-UHFFFAOYSA-N 447.505 4.875 30 10 IJEE C=CCn1c(SCCNC(=O)OC(C)(C)C)nc2scc(-c3ccccc3)c2c1=O 1613284081 RVTHULXGADZIJF-UHFFFAOYSA-N 443.594 4.928 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(Br)c(Cl)cc1OC)c1ccccc1 1618596830 DOUNSQJHGGLDIL-XMMPIXPASA-N 428.735 4.964 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1618706476 QQSBAKGMFVMUAP-DEQJRXDXSA-N 448.748 4.508 30 10 IJEE C#C[C@@H](NC(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccc(Br)cc1 1622908128 LEYIRJMRKYJHBR-MRXNPFEDSA-N 429.705 4.784 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1627129626 GCGYWFPOFTXSPY-VGSWGCGISA-N 447.535 4.960 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)c1 1628448662 APCCMOMZVKMLNA-OAQYLSRUSA-N 431.557 4.887 30 10 IJEE C=CCCONC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1 1642533715 OIXDZDOFNKFMSC-UHFFFAOYSA-N 430.570 4.639 30 10 IJEE N#Cc1cc(OCc2nc(-c3cccc(Br)c3)no2)ccc1Br 1644279242 GJBUULJAHOHKMZ-UHFFFAOYSA-N 435.075 4.712 30 10 IJEE C#C[C@@](C)(CC)N[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)c1ccccc1 1645750776 ORDXSPKUCBCKKI-BWKNWUBXSA-N 438.593 4.875 30 10 IJEE C#CC1(NC(=O)c2ccc(OCc3ccc(Br)s3)c(OC)c2)CCCC1 1650955544 WABCLCGOIPQQDY-UHFFFAOYSA-N 434.355 4.774 30 10 IJEE C=CCOc1ccc(CNc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cc1OC 1656037788 GWMQZTGIEQXSCK-GOSISDBHSA-N 441.547 4.824 30 10 IJEE C=CCOc1c(Br)cc(CN[C@H](C)C[C@@H](O)c2ccc(F)cc2)cc1OC 1657699513 LRBSNVHHCDZWNI-AUUYWEPGSA-N 438.337 4.763 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 1661730980 VDKXBFROFAOSTJ-UHFFFAOYSA-N 441.350 4.851 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c2ccccc2OC)cc1 1662439077 CMLWZCMRHCHALB-VWLOTQADSA-N 444.535 4.861 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCCC(=O)Nc1cc(Br)ccc1C 1668201318 OIADCPOTEUSMCC-LJQANCHMSA-N 444.373 4.573 30 10 IJEE COC(=O)c1cnc([C@@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1 1668939511 HDIKCHGHSWSEGC-GFCCVEGCSA-N 440.456 4.615 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 1670779766 ITZDMGJZIYCEMS-VQTJNVASSA-N 431.458 4.595 30 10 IJEE C#CCOc1ccc(CNC(=O)N2Cc3cc(OC)ccc3C[C@H]2c2ccccc2)cc1 1672952111 QCKUJVZKXXTWDV-SANMLTNESA-N 426.516 4.716 30 10 IJEE C#CC1CCN(C(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)CC1 1674725085 UUULPKBZOWTLSR-UHFFFAOYSA-N 426.314 4.579 30 10 IJEE C=CCCC1(CNC(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CCCC1 1678127533 DJZIAJZQWRNVGF-FQEVSTJZSA-N 426.605 4.830 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@@H](O)c3cccc(OCc4ccccc4)c3)cc2n1 1680698267 FXCSDMLKZKZGSN-RUZDIDTESA-N 442.519 4.656 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C 1681943283 FWEXDTNVYBGFNM-PUHATCMVSA-N 434.024 4.563 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1683106903 OVUNXFBOYYOFGW-VXKWHMMOSA-N 449.599 4.615 30 10 IJEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CCCC[C@H]3c3ccccc3)CC2)c1 1686473252 FYHJGEBDHRGMMG-NOZRDPDXSA-N 444.579 4.892 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc2ccccc2s1 1689834066 WOXARYAOBZBQTE-ZDUSSCGKSA-N 440.370 4.757 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCCN1CCCC 1689861520 WNYPYLBQQOGDNS-DHIUTWEWSA-N 437.632 4.586 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1689918330 YUBIIHDSGWTTMP-QFIPXVFZSA-N 449.643 4.789 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](c1ccco1)N1CCCC1 1689946001 LZFTUKGBXLKDKH-FGZHOGPDSA-N 447.583 4.534 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@H]1N(C)CCCC1(C)C 1690088108 BULRUZZTCMKMKD-SIKLNZKXSA-N 425.596 4.691 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)Cc1ccc(Cl)s1 1690255097 OAYWUAPWIWTXAA-SZVBFZGTSA-N 437.009 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccncc1Cl 1690269671 CYUUDNFHDICNAL-UHFFFAOYSA-N 425.964 4.571 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](OC)[C@@H](C)CC)CC1 1690415695 VBOJRTRYVOKDAJ-UWJYYQICSA-N 432.996 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1690430309 IBVJGALQPHODAN-KRWDZBQOSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1c(C)noc1C 1690437543 HHRUTGAHPJGZTE-UHFFFAOYSA-N 427.524 4.840 30 10 IJEE C=CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690480708 NPUFUARFPXPCCU-KDURUIRLSA-N 434.588 4.684 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2F)n1CC1CCN(Cc2cccs2)CC1 1690521892 NVWVHDJGLWKBLE-UHFFFAOYSA-N 425.577 4.680 30 10 IJEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)c1cccc(F)c1)C1CC1 1690539227 YVNFVSRDQNYERP-RUZDIDTESA-N 442.579 4.590 30 10 IJEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 1690633252 ROALQSZHIXAZOG-GOSISDBHSA-N 430.478 4.750 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1690663540 ZPGUAJLSUVESAQ-MJGOQNOKSA-N 441.645 4.593 30 10 IJEE CC(C)(Cn1c(Cc2ccc(F)cc2)nnc1N(CCC#N)CC1CC1)c1ccccn1 1691343699 FCWBYTNMIUUHOS-UHFFFAOYSA-N 432.547 4.511 30 10 IJEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@H](C)c1ccccc1 1694323606 CYBZCYXAPYVHEE-IBGZPJMESA-N 436.604 4.520 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705510013 MVUTXDPTMCYWMQ-GPMSIDNRSA-N 438.469 4.995 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]1Cc1ccccc1 1705525699 RPFKWBSTNWBWHD-LJQANCHMSA-N 438.373 4.661 30 10 IJEE C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705722289 FBTOAHDAGLEPHL-KRWDZBQOSA-N 437.544 4.713 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(OC)ccc1Br 1705807298 YLLAUKJDZVNOON-MRXNPFEDSA-N 449.393 4.546 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1705810465 ZGKCHBOXNTXIPW-YTFSRNRJSA-N 443.680 4.865 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705826100 NFWLRAHVKUUBHG-UGKGYDQZSA-N 426.605 4.697 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1705892247 PFMBJLPHTRYIRB-ZYSHUDEJSA-N 431.378 4.821 30 10 IJEE Cc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(CCC#N)CCC(C)C)c(C)c1 1707503370 GLCTXKZVGPJAQX-UHFFFAOYSA-N 433.604 4.571 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C#N)CC1)C(C)C 1710402515 DQLUUBKUNUINAZ-HXUWFJFHSA-N 433.959 4.929 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cc(C(CC)CC)no1 1722280580 XHYRZECUBKACCD-OAHLLOKOSA-N 443.498 4.944 30 10 IJEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 1722314061 FQTBBMPSDJOOKD-UHFFFAOYSA-N 443.576 4.781 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1cnc(C)s1 1722328650 UGUKGCYQTAURLK-UHFFFAOYSA-N 436.404 4.584 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCC(C)(C)C1CC1 1722380201 WBXBPKWTPZEJHR-UHFFFAOYSA-N 431.403 4.668 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCSC(F)(F)F 1722467338 RCCJRUNFYOTIHO-AUUYWEPGSA-N 442.482 4.802 30 10 IJEE C=C(Cl)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(C(C)(C)C)CC1 1722550102 GAUNJARWHNSTIE-UHFFFAOYSA-N 440.979 4.663 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722574633 OOWNYULNCKVQON-YTZAWJCFSA-N 428.552 4.511 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722602416 AESUBGQCYDPZPJ-NRFANRHFSA-N 437.510 4.535 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCSCc1ccccc1 1722632192 KSLCZTWWSISYGU-UHFFFAOYSA-N 432.391 4.591 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCC[C@H](C)C1)C1CC1 1722653855 MMFAKFMUGFZVID-SIKLNZKXSA-N 437.632 4.749 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1N(C)CCCC1(C)C 1722666392 GFQKOQWIUREULO-DENIHFKCSA-N 441.595 4.856 30 10 IJEE C[C@@H]1CCC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)C1 1726516282 FEPJCTOWTQIKRV-STZQEDGTSA-N 432.572 4.728 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@@H](F)C1 1740658209 FPOTUQXDKJMESG-SJLPKXTDSA-N 449.357 4.765 30 10 IJEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1740715358 XVGJPUPRDBPICX-UHFFFAOYSA-N 431.565 4.748 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC[C@H]1C 1740769395 XPZRYHWETIEHOS-SJLPKXTDSA-N 433.394 4.783 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2Cc2oc(CC)nc2C)CC1 1740829863 NMEYFTGAPCJNNW-UHFFFAOYSA-N 439.585 4.643 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCCCCC2)CC1 1740833150 LYXANGQOOPSXAB-FQEVSTJZSA-N 441.595 4.836 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCOc1ccc(Cl)cn1 1740918646 NXYPEORMCJRLCB-UHFFFAOYSA-N 446.942 4.660 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(OC)c2)n1CC(=C)Br 1740936021 FIQGAQABHLGALX-UHFFFAOYSA-N 443.345 4.690 30 10 IJEE Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CC[C@@H](F)C2)cc1C 1742267781 FWVZWLGXIUZCCK-LEWJYISDSA-N 425.552 4.742 30 10 IJEE CCN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CCCCC1)N(C)C 1746303423 AYXUUAOBWGQOQP-XMMPIXPASA-N 434.632 4.954 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCC1(C)C 1749121938 QSDDBWUEIBCPJU-IEBWSBKVSA-N 432.515 4.907 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOC1CCCCCC1 1749148831 HVCREIOEPNHXHR-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ccc(F)cn1 1749149007 NWIGWRBMAJASPE-UHFFFAOYSA-N 439.535 4.726 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749261696 YFFQXCSDRRNLME-HSZRJFAPSA-N 448.995 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749376379 XZYWUUFIMXGDBI-UYAOXDASSA-N 428.552 4.604 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1CCn1cc(Cl)cn1)C1CC1 1749527714 OSZMPGKSMRZMFT-UHFFFAOYSA-N 428.993 4.584 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1nc(C)c(C)s1 1749587492 WQOCNOQWDZGYGW-UHFFFAOYSA-N 444.564 4.767 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CCCc1ccnc(C(C)(C)C)n1 1760108280 ZWTHHPKFRKHEOJ-KRWDZBQOSA-N 436.991 4.777 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H](c1cccs1)N1CCCC1 1760115924 LKJMUWAMAHFTAV-IRLDBZIGSA-N 433.625 4.534 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760158183 KSGICCHCBOUUDK-OFNKIYASSA-N 436.600 4.573 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)OCC 1760197866 NFOLDQXVVWOQNU-UHFFFAOYSA-N 436.556 4.701 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1760280014 GYBRHRRTOVKKDR-IBGZPJMESA-N 430.643 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1ccc(C#N)o1 1760291768 BNDMMRXOPSADSQ-AREMUKBSSA-N 443.551 4.875 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCSc1nccs1 1760296873 YHGIJZFVXWRLHP-HXUWFJFHSA-N 429.640 4.561 30 10 IJEE C=C(Br)Cn1c(-c2ccc(CC)cc2)nnc1N1CCOC2(CCCCC2)C1 1760302394 BPTJRPOMOJMQFN-UHFFFAOYSA-N 445.405 4.956 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)CCOc1cccc(Cl)c1 1760316745 WPARSNVQRAHKOZ-LQWHRVPQSA-N 432.996 4.941 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1760398496 APQVKDQDVUBZEG-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760399235 FFZVPAVNWLCLTQ-CJAUYULYSA-N 442.604 4.552 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760412422 KWFUJGYFJLPELF-RTWAWAEBSA-N 446.542 4.978 30 10 IJEE Cc1nnc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)s1 1772738981 RQIJFSKPFNPSGQ-LXBZPWOBSA-N 428.539 4.512 30 10 IJEE CCCCCCCCNC(=O)[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)[C@H](C)CC 1861170465 ZZDZFQOFEKTVRU-RDGATRHJSA-N 443.676 4.906 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccc(F)cc2F)c1 1862490720 CEFPIGNZZUFIAR-JOCHJYFZSA-N 442.506 4.502 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862582713 KZQDSJDPNZKTIX-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1 1862633236 IKHVFBIZYOMAFZ-IBGZPJMESA-N 447.409 4.813 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Br)cc1 1862709671 AVTJEKSKEDUHNO-YJYMSZOUSA-N 444.325 4.835 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1c(F)cccc1Cl 1862757325 XCEIMORMRCMURZ-VOJFVSQTSA-N 432.835 4.764 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2cccc3cccnc23)C1=O 1862916360 YTGBRANZBNKBKE-UHFFFAOYSA-N 434.430 4.642 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCC)c(OCCC)c2)=C(c2ccc(F)cc2)C1=O 1863149760 NHZDUQUAJQFZEL-UHFFFAOYSA-N 438.499 4.781 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(Cc3ccc(C)cc3)C2=O)cc1 1863216613 VGQGYHGLXNIXHP-UHFFFAOYSA-N 437.499 4.658 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(F)cc2)C1=O 1863507753 FQFNMTFUZGAZAY-UHFFFAOYSA-N 443.607 4.732 30 10 IJEE C=CCOc1cn(CCCCCCCC)c(CN(CCO)Cc2ccccc2)cc1=O 1870385278 PZXDINSVCVXIAV-UHFFFAOYSA-N 426.601 4.768 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CNc1ccc(C)cc1C 1871187104 VYJCYAGNOCUFSA-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE C=CCn1nc(C)c(I)c1C(=O)Nc1ccc(Cl)cc1Cl 1871324446 XFJCUHNVXWKJPT-UHFFFAOYSA-N 436.080 4.541 30 10 IJEE Cn1cc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)c2ccccc21 1871345048 PJAJBBUOFUTFFB-CFRMEGHHSA-N 426.472 4.782 30 10 IJEE CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(CCCN(C)C)C4)C2=O)c2ccccc21 1871351684 OWDKLAVDIGHLFP-OYKKKHCWSA-N 445.563 4.689 30 10 IJEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871389704 LDUIBKARTPCEOM-UCQKPKSFSA-N 443.411 4.995 30 10 IJEE O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc(OC(=O)c2ccco2)cc1 1871391986 OIELWGBQQGJYRA-XKZIYDEJSA-N 442.379 4.927 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)CCc4cccs4)ccc3C2=O)c1 1871392481 ZASYUAHTKDBSFQ-XKZIYDEJSA-N 436.485 4.920 30 10 IJEE CCOC(=O)CCOc1ccc2c(c1C)O/C(=C\c1ccc(Br)cc1)C2=O 1871412859 IEDNIEOIAXMKQI-PDGQHHTCSA-N 431.282 4.706 30 10 IJEE COc1ccc(-c2cc3ccc(O[C@@H](C)C(=O)Nc4ccc(C#N)cc4)cc3oc2=O)cc1 1871436202 QCEHYOGSVRCQEF-INIZCTEOSA-N 440.455 4.746 30 10 IJEE COc1ccc(CNC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 1871443885 JJXVNIBIRRAIGJ-FMCGGJTJSA-N 449.890 4.660 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1F)C2=O 1871459572 ZVHWPIBFQJZWOU-UUYOSTAYSA-N 433.435 4.776 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)Nc1ccc(Cl)cc1)n2CCCOC 1873656783 MDOZKNIDTYDZCK-UHFFFAOYSA-N 439.947 4.552 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OCC(=O)Nc4cccc(F)c4)ccc3C2=O)c2ccccc21 1873859780 CMQVWFNUMHHVID-MYKKPKGFSA-N 442.446 4.951 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(N(C)C)cc1 1874207197 DVQBHVHMSNBAJA-HYARGMPZSA-N 444.402 4.692 30 10 IJEE CSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874254098 PWMZAFBBSJFEBJ-LSHDLFTRSA-N 445.932 4.948 30 10 IJEE CCCSc1nnc(COc2ccc(C)cc2C)n1/N=C/c1ccc(OC)cc1OC 1874327944 PAXAFJVOOWGJTF-ZVHZXABRSA-N 440.569 4.875 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(CC3CCCCC3)n2/N=C/c2ccc[nH]2)cc1 1874406558 MRLNEDBQATZDMK-MFKUBSTISA-N 436.585 4.650 30 10 IJEE CCOc1ccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)cc1 1874445259 CKEWRWCRVFCCCD-LSCMLXDISA-N 426.517 4.842 30 10 IJEE COCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(C(C)C)cc1 1874471943 GADXZDXJTXAVKK-OEAKJJBVSA-N 439.541 4.673 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1cccs1 1874481040 QQKZEEIWTGHEDA-LPYMAVHISA-N 427.599 4.912 30 10 IJEE CCSc1nnc(C2CC2)n1/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 1874518962 UATNOODRLSYRRE-KEBDBYFISA-N 439.379 4.708 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1c(Cl)cccc1Cl 1874528480 LXVQJTWMHLCOGA-LSFURLLWSA-N 438.315 4.645 30 10 IJEE CCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccccc2CC)cc1 1874530231 XWNRLYPCEAFONZ-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE CCc1ccccc1NC(=O)CSc1nncn1/N=C/c1c(OC)ccc2ccccc12 1874536221 SJUXZJVVKDODCX-VULFUBBASA-N 445.548 4.615 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1cccc(O)c1 1874542172 NAOITDPAVJWCGK-YDZHTSKRSA-N 430.961 4.870 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(S)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874561554 XCAPNBWRYVBFAK-XUANBZSPSA-N 428.517 4.820 30 10 IJEE COC(=O)COc1c(OC)cc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 1874627365 PEWAAXOEZCRZSQ-CMDGGOBGSA-N 442.508 4.592 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OC(=O)c1ccc(N(C)C)cc1 1874698615 FYPIHWACGXXXRD-OQLLNIDSSA-N 431.488 4.885 30 10 IJEE CCC(=O)Oc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1875118068 PQBGOGWIVBCOCB-RUDMXATFSA-N 434.242 4.577 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1OC(=O)C(C)C 1875152560 VBRHCFFAAOGOBN-SOFGYWHQSA-N 431.416 4.599 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)c1sccc1S(C)(=O)=O 1912429761 GLOCZGAVWUEIQX-CQSZACIVSA-N 426.947 4.811 30 10 IJEE C=C([C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC)[Si](C)(C)C 1922998012 CDQZNSGWJSCGBE-JOCHJYFZSA-N 445.724 4.958 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)cc(Br)c1)NCC 2047968382 RBTIZMZSPYRHBM-IAGOWNOFSA-N 429.786 4.540 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2078854390 FXOULYPOFYSSFW-VVZHRXSXSA-N 446.632 4.524 30 10 IJEE Cc1nn([C@H](c2ccc(C(F)(F)F)cc2)C2CC2)c(I)c1C=NO 2080035116 QJUYZHKFDAXQLJ-AWEZNQCLSA-N 449.214 4.622 30 10 IJEE N#Cc1ccnc(COc2c(Br)cc(Br)cc2Br)c1 2087353003 VJILUWWNSLRYSX-UHFFFAOYSA-N 446.924 4.820 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNc2cc(Br)c(C#N)cc2F)CC1 2105981319 JMMYRALXCFNHQL-XBXGTLAGSA-N 426.330 4.955 30 10 IJEE C=CCC[C@@H](COc1cc(Br)nc(C(C)(C)C)n1)NC(=O)OC(C)(C)C 2128052231 AIGARJFTIUSGBL-ZDUSSCGKSA-N 428.371 4.775 30 10 IJEE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(c2cc(Br)cc(F)c2C#N)C1 2139847680 ACFPNCHIMCHNNB-GFCCVEGCSA-N 426.330 4.589 30 10 IJEE CC1(C)C[C@](Oc2ccc(Br)cc2C#N)(C(=O)O)[C@H]1OCc1ccccc1 2156355232 PSUUPIVQERDYPO-GHTZIAJQSA-N 430.298 4.538 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1c1cc(Br)c(C#N)cc1F 2174766064 UCCWGHZJWRAAGS-JDFRZJQESA-N 438.341 4.732 30 10 IJEE CC(C)(C)C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)ccc1C#N 2181047967 QCAMYJVZFIUCFQ-CQSZACIVSA-N 438.366 4.836 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(Br)ccc1C#N)c1ccccc1 2181134473 HIXINJMSPCVEMX-KRWDZBQOSA-N 430.302 4.525 30 10 IJEE CN[C@H](C#Cc1cccc(Cl)c1)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2216916383 SHPDSBAYWINKOV-PKTZIBPZSA-N 442.987 4.780 30 10 IJEE CC(C)[C@@H](CCCC(=O)Nc1cc(Br)ccc1C#N)NC(=O)OC(C)(C)C 2235330054 IUWMFFLTBASHJH-MRXNPFEDSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@]1(N)C#Cc1ccccc1Br 2235726947 FMAHRWNLAKRQRR-HTAPYJJXSA-N 433.390 4.603 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 2235735088 YQTVCGIWOINYCT-BHIYHBOVSA-N 435.406 4.672 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)ccc2F)OC1(C)C 2266986359 JDSZNQCPADDQDN-UHFFFAOYSA-N 435.304 4.561 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CCc2cc(Br)ccc21 2291118876 FSZVQOXPMYLYSJ-QFIPXVFZSA-N 431.326 4.855 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)c1ccc(I)cc1 2296218089 ANKLKHWGVATTRT-KRWDZBQOSA-N 440.122 4.756 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)Cc1ccc(NC(=O)OC(C)(C)C)cc1 2296285513 BHIZLVXQNWPEBO-HXUWFJFHSA-N 429.358 4.978 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296289083 NWMARJZPKDDQNJ-AZUAARDMSA-N 435.406 4.816 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2306618782 WKNCQEJHZURLLS-TYBLODHISA-N 428.573 4.555 30 10 IJEE CC[C@@H](CCCC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2319680735 SRSMYVCRHIGLCB-SBUREZEXSA-N 438.418 4.545 30 10 IJEE COc1ccc2ccccc2c1C=Nn1c(S)nnc1CCCOc1cccc(C)c1 2322172140 FOZNKVDLOPXRML-UHFFFAOYSA-N 432.549 4.931 30 10 IJEE COc1cccc2cc(C(=O)Oc3ccc4c(c3C)OC(=Cc3ccccn3)C4=O)oc12 2322860201 HIAIQOLXHUTRAM-UHFFFAOYSA-N 427.412 4.980 30 10 IJEE Cc1ccc(NC(=O)COc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1C 2323201692 CQIJQFVISJBKJG-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2324035374 QFIOHMDUNODVCG-UHFFFAOYSA-N 443.499 4.934 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1c[nH]c2ccccc12 2326766579 DIJFTGIXTFQGKZ-UHFFFAOYSA-N 435.553 4.752 30 10 IJEE Cc1cccc(OCCCc2nnc(SCCO)n2N=Cc2cccc3ccccc23)c1 2327045216 PFMRMLVJZWYMHD-UHFFFAOYSA-N 446.576 4.718 30 10 IJEE CCOc1cc(C=Nn2c(COc3ccccc3Cl)nnc2SCC)ccc1O 2327638507 DEVHHDUETKEQQE-UHFFFAOYSA-N 432.933 4.609 30 10 IJEE C=CCSc1nnc(Cc2cccc3ccccc23)n1N=Cc1ccc2c(c1)OCCO2 2327771883 ICVNXGFQVMFDIH-UHFFFAOYSA-N 442.544 4.954 30 10 IJEE Cc1ccccc1C=Nn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccco1 2331228648 ZNMMWEPFPLEBGE-SFHVURJKSA-N 445.548 4.698 30 10 IJEE CCOc1ccc(C=Nn2c(SCc3nc(O)c4ccccc4n3)nnc2C(C)C)cc1 2331706980 YFPAHICKBRMGPN-UHFFFAOYSA-N 448.552 4.624 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587689 YBGTVLCBDIHCQA-RTBURBONSA-N 444.381 4.893 30 10 IJEE CCOC(=O)c1ccc(N/C(=N/c2ccc(F)c(Cl)c2)n2sc(C)cc2=N)cc1 20168777 ZDPJSEGGQCNLBT-UHFFFAOYSA-N 432.908 4.955 30 10 IJEE C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(OCC)c1)C(=O)C(C)C 36042549 KXNQKZUEALECGO-UHFFFAOYSA-N 446.551 4.547 30 10 IJEE C/C(=N/Nc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)n[nH]1)c1ccc(C)cc1 59021218 FSUZDRTWIPZFBM-ZMFRSBBQSA-N 448.474 4.699 30 10 IJEE COc1ccc(C(=O)/N=C(/NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)cc1 66437679 FFIAIKRMIZPEFU-UHFFFAOYSA-N 430.483 4.756 30 10 IJEE CCOc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102738155 BQSUYNZWWMXDTC-GOBJLOIFSA-N 438.867 4.661 30 10 IJEE CCOc1cc(/C=N/Nc2nnc(C(C)(C)C)c(=O)[nH]2)ccc1OCc1cc(C)ccc1C 169898160 LRBIXMWKUSUHQH-VULFUBBASA-N 449.555 4.503 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C2CCCC2)c1OC 169951449 FTOZDUMEQAJRCA-HXUWFJFHSA-N 441.911 4.878 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170134339 TTWRJILCTKLMHA-HSZRJFAPSA-N 429.472 4.643 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCCC4)[C@H]3c3ccc(O)cc3)oc12 170138551 MMSWTULTVSAEER-NRFANRHFSA-N 433.460 4.668 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(C)c2)cc1C(C)C 170139333 DLOJWFPSJLDMOU-QHCPKHFHSA-N 437.536 4.742 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(C)c2)cc1 170139512 OYKUXFWDRACEJF-HSZRJFAPSA-N 437.536 4.789 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 170143375 GWNRHELUOBBYDI-RDPSFJRHSA-N 427.500 4.906 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccs2)c1 170154882 WGMPPLMPTOPUKE-LJQANCHMSA-N 449.956 4.804 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3C)[C@@H]2c2ccccn2)cc1Cl 170176213 MPLLXTHSFIGHFV-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)cc1C 170233772 MRAXPBTWZBQSAD-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)c(OC)c3)=C(O)C(=O)N2CCCOC)cc1 170266804 NLIVUDMYJZODPP-OAQYLSRUSA-N 443.927 4.526 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3c(OC)cccc3OC)=C(O)C(=O)N2C2CCCC2)cc1 170268678 FGWWYYZUKHXEIT-HSZRJFAPSA-N 435.520 4.787 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccc2C)s1 170272956 KRJNKVKAPYFDEQ-FQEVSTJZSA-N 429.501 4.723 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2Cc2ccc(C(=O)OC(C)C)cc2)c1 170459114 SVFIWXVOKSHFIN-JOCHJYFZSA-N 435.520 4.681 30 10 IJEE Cc1cc(C)c(NC(=S)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)c(C)c1 254699719 WELZTZDSCOYKPP-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE C=CCN(C(=O)COc1cnn(C)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 443469603 XKYUWNDDXYMPQD-UHFFFAOYSA-N 430.533 4.809 30 10 IJEE N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 466600904 YLIFRAGXKOOYPQ-QGZVFWFLSA-N 429.318 4.896 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 540486106 UQPWSOGMQPTMAW-QVKFZJNVSA-N 436.524 4.502 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc(C(F)(F)F)cc1 542410546 QTHZEWMLJFUOGZ-VQTJNVASSA-N 446.473 4.603 30 10 IJEE CCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](C)Cc1ccc(OC)cc1 543889607 ACNZKWHNCYNVKH-INIZCTEOSA-N 437.931 4.891 30 10 IJEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 549633813 APQMNKNJJPWIBW-XMMPIXPASA-N 445.542 4.952 30 10 IJEE CC(=O)C1=C(c2ccc(F)cc2)N(Cc2cccs2)C(=O)N[C@@H]1c1cnn2ccccc12 729663818 WBSZSZBRLNQEJD-JOCHJYFZSA-N 446.507 4.802 30 10 IJEE Cc1nn(-c2ccccc2)c2ncc(C(=O)OCc3cc(Cl)ccc3OCC#N)cc12 735342696 DSUULZJUPDPSMN-UHFFFAOYSA-N 432.867 4.642 30 10 IJEE CC(=NNc1ccc(S(C)(=O)=O)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1C 743435423 GYMJPGGACDAITJ-UHFFFAOYSA-N 437.352 4.727 30 10 IJEE COc1ccc(/C=C(\C)C(=O)OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1F 755051188 VNCOTYSFUKUKHL-BMANGOCTSA-N 442.512 4.671 30 10 IJEE C=CCn1c(COc2ccccc2F)nn(CN2Cc3ccccc3C3(CC3)C2)c1=S 774671538 RCJONPPPWYQKCO-UHFFFAOYSA-N 436.556 4.823 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCCC[C@H]2c2ccnn2C)c1=S 799147085 DZXUXEWNYYJCRS-IBGZPJMESA-N 428.993 4.839 30 10 IJEE C[C@@H](OC(=O)c1cc(Cl)c(F)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 815502943 BWQPAKWKCMHCIP-MRVPVSSYSA-N 427.284 4.738 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCCc2ncc(-c3ccccc3)o2)CC1 915508573 FCUXYDUSUYUVAO-CSKUQDPHSA-N 437.540 4.527 30 10 IJEE CC(/C=C/c1ccccc1)=NNc1nc(SCC(=O)Nc2nc3ccccc3s2)n[nH]1 1084107305 SWENIMLFOOFVHX-HKCIHVFHSA-N 449.565 4.646 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1)c1ccccc1 1084175723 LNBPYPJNWGSGPS-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE C=CCc1cccc(C=NNc2nc(SCc3cccc(Br)c3)n[nH]2)c1O 1084612210 DJNFUMXNTSQLKU-UHFFFAOYSA-N 444.358 4.740 30 10 IJEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(-c3cccs3)nc3ccc(C)cc23)c1 1125569964 CSBUPEGHGIFOOB-UHFFFAOYSA-N 439.540 4.646 30 10 IJEE CCCOc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)c(OC2CCCC2)c1 1125622944 BPRCOLUEBUSWPT-UHFFFAOYSA-N 433.552 4.631 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCC2(C)CCC2)c1 1126731750 HJPAMDJZGLSLMS-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)c1ccccc1 1127930754 VTSYCUJRIXMSLW-QGZVFWFLSA-N 438.519 4.736 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)C(C)(C)C)cc1 1128251797 JMVVYBAIYFICNM-QHCPKHFHSA-N 434.580 4.736 30 10 IJEE C[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)C[C@H](c2ccccc2)C1 1129815544 BWOXKSJARILCIW-JQHSSLGASA-N 427.342 4.788 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC 1136574722 ZVRUTOWRPSBIMT-OSICKASQSA-N 440.971 4.878 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)CC)CC2 1140345884 MNYBGJLHCIGBHB-RDJZCZTQSA-N 433.618 4.929 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)cc1 1141331829 XFWROQCJUBVCOI-HXUWFJFHSA-N 444.576 4.796 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 1141609435 ITCMMDKHSAFRAF-NQIIRXRSSA-N 443.588 4.630 30 10 IJEE C=C[C@@H](C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1)c1ccccc1 1159237162 DDLZXCWXIHWLNV-LJQANCHMSA-N 432.333 4.766 30 10 IJEE C=CCn1cnnc1SCc1nnc(-c2ccc3cc(Br)ccc3c2)o1 1165289244 UBHACSHNTQFKNR-UHFFFAOYSA-N 428.315 4.722 30 10 IJEE CC(C)CCN(CCC#N)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 1185888213 DWWDOYXMOUXSKS-UHFFFAOYSA-N 449.624 4.957 30 10 IJEE C=CCn1c(SC[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)nnc1C1CC1 1188268594 CUKMBCBYXYKRDV-KRWDZBQOSA-N 432.565 4.881 30 10 IJEE CCCC[C@H](COC)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1204807763 HEFQTLOINSKWHB-OAHLLOKOSA-N 440.491 4.951 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC([C@@H](O)c3ccc(OC)cc3)CC2)cc1OC 1205974463 PMUVUJPHAGJJHL-QHCPKHFHSA-N 431.960 4.868 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NCCCc3ccc(Br)cc3OC)cc21 1220204315 IYTFOFQDHMADEE-UHFFFAOYSA-N 443.345 4.748 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)C(C)C 1220597796 IWAMZROIAPCRIA-PZJWPPBQSA-N 426.630 4.884 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 1221246953 GKWFDQULRKPSKP-QGZVFWFLSA-N 430.483 4.852 30 10 IJEE C#CCOc1ccc(CNC(=O)N[C@@H]2c3ccccc3N(C(=O)OC(C)(C)C)C2(C)C)cc1 1251290521 BPADFDOJXZXAEO-JOCHJYFZSA-N 449.551 4.773 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(Cl)ccc1I 1252907729 JBAATOAOPVFHRU-LRDDRELGSA-N 432.733 4.879 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1254893482 JKRFRDWZZKZFOB-FQEVSTJZSA-N 441.597 4.808 30 10 IJEE COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1269214573 HVXFIPNJJZZPJC-NSHDSACASA-N 438.698 4.519 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1Cc1ccc(OC(C)C)nc1 1286454196 HRDHIORHKSARIM-LJQANCHMSA-N 435.547 4.801 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@]1(C)CCCO1 1286454456 XSGBTHJGPAIAIH-MBSDFSHPSA-N 430.980 4.717 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C2CCC1(C)CC2 1286499122 OFNDQVSDCTVYLO-UHFFFAOYSA-N 445.430 4.904 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1cc(C)cs1 1286511165 GNOOJWRMPYJFAN-UHFFFAOYSA-N 440.638 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1286554952 ZUUVQWHBNKIVTL-KPFFTGBYSA-N 429.996 4.847 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(Cl)=C(Cl)C1 1286563561 VMTSQEFAWWBNBL-LIRRHRJNSA-N 437.346 4.965 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(C)C)C1 1286604527 LYQMFZFTMJLJOU-NRFANRHFSA-N 434.588 4.800 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCSC2(C)C)CC1 1286649839 SFUIJJMKKSXGOY-SFHVURJKSA-N 428.602 4.554 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 1286661621 ILBNFSKPTWXRIZ-TZIWHRDSSA-N 425.621 4.916 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 1286688891 ZXAHLZBTQVYWQL-QTJGBDASSA-N 437.632 4.628 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C)N1CCCCC1 1286746083 OGSBZKVSKKIHBF-ISKFKSNPSA-N 437.632 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccc(F)cc1 1286746773 AETKOZYDIGVCQV-XMMPIXPASA-N 449.555 4.641 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nccs1 1286752609 BDFYAEIXGYULKT-UHFFFAOYSA-N 434.338 4.530 30 10 IJEE CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCCCC2)C1 1292380579 GGMGZSMTRMROEV-NRFANRHFSA-N 434.632 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)cc1F 1300282336 HLBRLNSIQWWUGP-CVEARBPZSA-N 438.572 4.785 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1SCCc2ccccc21 1300328016 GUHXBPNKABSORZ-ZHNGQKSSSA-N 438.641 4.685 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)C1 1300477406 IFWKVLNPNDCJMY-INIZCTEOSA-N 428.374 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1Cc1cc(OC)ccc1OC(F)F 1300807525 MGGNIJAJRZFTJA-XMMPIXPASA-N 444.526 4.661 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@](C)(OC)CC1 1301177925 AJCNIADRKMMKHS-XMMPIXPASA-N 428.577 4.714 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@H](C)C1 1301350447 YHBHLEAYUXWBMM-RTBURBONSA-N 448.546 4.693 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC)c1 1301362140 AQYYASIYNNQVBO-HXUWFJFHSA-N 438.597 4.873 30 10 IJEE C=CCCONC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1301633222 QHYRPBPKUWNJNQ-MSUUIHNZSA-N 430.504 4.976 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCC#N)CCOC 1306307706 BBAXJTWMXDTCPI-IAGOWNOFSA-N 433.959 4.930 30 10 IJEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)C1CC1 1307776257 JYVIPWVKSNZONP-UHFFFAOYSA-N 441.984 4.569 30 10 IJEE Cc1cc(NC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c(C#N)cc1N(C)C 1310837523 BLFHVEIUZSBMEQ-MRXNPFEDSA-N 431.309 4.643 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cc(F)c(Cl)cc2I)c1 1311065858 SEBJGCHAQWFBPQ-UHFFFAOYSA-N 428.632 4.733 30 10 IJEE CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](SCC)C1 1314284641 GYUHZNREMMQWFG-OAQYLSRUSA-N 441.645 4.991 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCCN1C(=O)OC(C)(C)C 1354220187 AAXKIGSOPADKKP-DEOSSOPVSA-N 440.540 4.850 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1ccncc1C)c1ccc2c(c1)OCCO2 1355190592 ONGOQGVVLRSDJC-FLIBITNWSA-N 442.515 4.973 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC1CCN(CC)CC1 1358873796 OLWQTXGWSLUYQY-MOPGFXCFSA-N 444.023 4.651 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1cccs1 1358877674 IWJRZHIQSPOTKD-GFCCVEGCSA-N 435.778 4.929 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1358916736 VMAZHVZAVDQWMQ-QFIPXVFZSA-N 446.599 4.525 30 10 IJEE C#CCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1358916829 YOSIZJRMKGKIKP-HSZRJFAPSA-N 436.600 4.530 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1ccc(-c2ccsc2)nc1 1358952999 GUJWTVJTOBKBGJ-UHFFFAOYSA-N 443.576 4.715 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cscc1C 1359020235 WJGLUCLXMQGWEG-UHFFFAOYSA-N 440.638 4.780 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C)C1 1359090821 GSAHFCDBWNKWPB-JYLXEMOASA-N 428.552 4.775 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1359125351 AEFWCUYRDRIZTA-PWRODBHTSA-N 428.577 4.551 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ccc(F)c(Cl)c2)CC1 1359166951 NRVVFWPXNWZLDO-UHFFFAOYSA-N 447.967 4.662 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1359176161 NWMMCRNUAJBTOZ-OAQYLSRUSA-N 437.632 4.868 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cn2nc(C)cc2C)n1CC1CC(C)(C)C1 1359261760 VMHOWEYBHIPVBY-UHFFFAOYSA-N 436.579 4.908 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCOC[C@@H]1C 1359267891 VYPTVLVDEHNDLC-FUHWJXTLSA-N 431.378 4.559 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(C)CCCS2)C1 1359325753 MDZWWTMTQWXHBR-URXFXBBRSA-N 442.629 4.541 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2oncc2C1 1359337251 MPGAGYKMIMPUMW-HNNXBMFYSA-N 445.976 4.541 30 10 IJEE C[C@@H](NC(=O)c1cc(Cl)ccc1-n1cncn1)c1ccc(-c2cccc(C#N)c2)cc1 1435858093 CVHZPXQGSPOVDL-MRXNPFEDSA-N 427.895 4.950 30 10 IJEE C#CCC1(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)CCCCC1 1439619125 ZZKCGWCKENRPPO-UHFFFAOYSA-N 432.564 4.543 30 10 IJEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)C[C@H]1C 1440100000 CQQJSFPPQYWLPL-FLFXDLLNSA-N 434.536 4.576 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 1449051035 KWNNAEVDLPWKPH-IBGZPJMESA-N 431.964 4.887 30 10 IJEE C=CCOc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)cc1 1449226461 QGJXKHYAIVHCKG-UHFFFAOYSA-N 432.545 4.984 30 10 IJEE C#Cc1ccc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 1449791826 BPMLPEFZNLHXHU-UHFFFAOYSA-N 438.527 4.601 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 1451330874 RYBCNIAFPQBWTH-FQEVSTJZSA-N 439.556 4.706 30 10 IJEE C#CCN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1455812416 IOWAKVBWENOVEL-SREVYHEPSA-N 437.367 4.868 30 10 IJEE C#CC[C@@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)c1ccccc1 1458088534 JJOFGIOXEMWEPA-HXUWFJFHSA-N 434.337 4.618 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)c3cccc(-c4c(F)cccc4F)c3)CC2)c1 1461242999 GMYWONDZAVZLPP-UHFFFAOYSA-N 431.486 4.898 30 10 IJEE C=CC1(CC(=O)N(C)CCCc2cc(-c3ccccc3)no2)CN(C(=O)OC(C)(C)C)C1 1464671898 BTPVBHOKWTUSRY-UHFFFAOYSA-N 439.556 4.546 30 10 IJEE C=CCNc1ncc(C(=O)NCCCCSc2ccccc2Br)s1 1465283787 MNESRICQKOTPIU-UHFFFAOYSA-N 426.405 4.806 30 10 IJEE C=C(CCC(=O)OC)C(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 1465405814 JYHHXKIMOSTBMV-JOCHJYFZSA-N 430.342 4.533 30 10 IJEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(Cl)cc1 1468720524 LRQVFSDRLAYSAE-QFIPXVFZSA-N 438.936 4.554 30 10 IJEE C#C[C@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 1468720762 OICZZMGSIXCNNR-SFTDATJTSA-N 426.944 4.657 30 10 IJEE C[C@H](CN(C)Cc1ccccc1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1470370347 FJWQYKGRYFEIOE-OAQYLSRUSA-N 444.554 4.930 30 10 IJEE Cc1c(S(=O)(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)sc2ccc(C#N)cc12 1475527575 ATCBVJJAMZVEOZ-INIZCTEOSA-N 432.517 4.928 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 1477735535 CYACKQPGPOJOFT-RUZDIDTESA-N 449.595 4.891 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2)c1ccc(C(F)(F)F)cc1 1478272260 KFXAOOPJWUTOOZ-ZWQIFLOQSA-N 439.478 4.631 30 10 IJEE C#C[C@H](NC(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccc(Cl)cc1 1478897383 VLSFKOBAQDPLSJ-PZJWPPBQSA-N 436.861 4.734 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1502927417 BNYLXFORODXFKV-PGRDOPGGSA-N 430.556 4.674 30 10 IJEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SC)C1)C(C)(C)C 1503974629 BDKJIONVGQLMOQ-VQTJNVASSA-N 427.618 4.600 30 10 IJEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1507559342 QWKDCHVFLXGDRV-FGZHOGPDSA-N 435.616 4.578 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCO)CCc1ccccc1 1507574747 BJEPSFWZVKAYRN-UHFFFAOYSA-N 448.636 4.730 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1C[C@@H]1CCCN(C(C)C)C1 1507699297 DXDCQHAGJVVLJG-RBBKRZOGSA-N 425.596 4.691 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)c1ccccn1 1507814643 CSIJPVUHWYQLMY-UHFFFAOYSA-N 441.583 4.906 30 10 IJEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1507825468 XJZNRWOEXKHKNT-QGZVFWFLSA-N 426.561 4.564 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(C)CCCO2)CC1 1507898782 UYKAOMRCTGJXGY-OAQYLSRUSA-N 449.368 4.818 30 10 IJEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1cc(Cl)ccn1 1507960144 LJBJMZUKHSUCJU-UHFFFAOYSA-N 432.355 4.876 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCSC1 1508009695 XARQDGUVMDNJET-KRWDZBQOSA-N 426.611 4.961 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2sccc2C)C1 1508117795 SEFIJCCUXPRBAB-QGZVFWFLSA-N 444.988 4.807 30 10 IJEE Cc1ccccc1C1(Cn2c(C3CC3)nnc2N(CCC#N)CCC(C)C)CCOCC1 1511225623 FRKFJFHVYOFNTG-UHFFFAOYSA-N 435.616 4.979 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](OC)c2ccccc2Br)cc1 1517876705 BIRANOITEJEPSZ-HXUWFJFHSA-N 432.314 4.785 30 10 IJEE C#CCN(C(=O)[C@H]1SCCc2ccccc21)[C@H]1CCOc2ccc(Br)cc21 1521818260 BBZAXWNXOCMYTP-FPOVZHCZSA-N 442.378 4.765 30 10 IJEE C=CCCCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC 1524209049 WZHGEZSMBHNRHG-RCZVLFRGSA-N 436.552 4.661 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCSCC(F)(F)F 1538971042 FHFQCUJOMAXGEJ-KGLIPLIRSA-N 446.926 4.825 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)c1ccco1 1538972390 HXGCUVYQKJTHRX-JLCFBVMHSA-N 440.956 4.772 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@](C)(O)CCC(C)C 1538985053 VNOIHOUVOAVDSX-KOSHJBKYSA-N 428.646 4.921 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCCc1nc(C)cs1 1539011391 FBEKZFVTGFJMSR-QGZVFWFLSA-N 428.005 4.768 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)c1ncc(C)s1 1539149519 YBTBZHTZCPMQTI-GDBMZVCRSA-N 429.977 4.710 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC(F)(F)C1 1539158819 MBUXTWQXNJNFBA-LBPRGKRZSA-N 443.723 4.866 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)[C@@H](C)CC 1539343651 OMDFVATUMJSNCE-JXQFQVJHSA-N 447.023 4.945 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCS2)CC1 1539855680 CHJMALHLODOLEX-SFHVURJKSA-N 449.418 4.672 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539874626 OANQUUBDCSPDHW-DFQSSKMNSA-N 428.552 4.511 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539896051 GHPPOUXLDMWJFU-UXHICEINSA-N 442.629 4.533 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1539910754 OCQZJTGPLMOUEA-QFIPXVFZSA-N 438.664 4.978 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1Cc2ccc(Br)cc2C1 1539915503 BIQLQGBLLPIKRO-INIZCTEOSA-N 431.378 4.667 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1539917061 QVGDVAHHMWZJBG-FQEVSTJZSA-N 427.549 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCSC2)C1 1539926276 KNJJDSRWNGKZCF-XMMPIXPASA-N 426.630 4.835 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1csc(C(C)(C)C)n1 1540051718 LHWLMAOTIXSOOA-UHFFFAOYSA-N 449.422 4.655 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@]1(C)CCCO1 1540121349 ROCVJHVJHWKYFF-DEOSSOPVSA-N 438.597 4.701 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1Cc1cc(C)cc(OC)c1 1540147203 OCTQJXGDYXIBOH-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1OCCC1(C)C 1540158473 IXIYRWCPPJELOR-HNNXBMFYSA-N 437.407 4.763 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(COC(C)(C)C)on1 1540159234 ZBDYEYDWWDLKLM-UHFFFAOYSA-N 442.951 4.523 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO[C@@H]1c1ccccc1 1540171625 COPWXNRMQITJFS-WIOPSUGQSA-N 429.568 4.610 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)c1c(C)noc1C 1540186465 CFLRQRGMQRFAAU-UTKZUKDTSA-N 439.560 4.756 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C(F)(F)F 1540186746 GWMQLBVFOAFJJP-KRWDZBQOSA-N 426.483 4.936 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 1540368838 VNCGAGGOOZGEIP-UHFFFAOYSA-N 448.544 4.759 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)c2nc(C)cs2)C1 1540887874 FSOWTVPIDDGRDW-RDJZCZTQSA-N 444.004 4.948 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCOC1 1542128431 AGIKOEKKLXYNGE-IPMKNSEASA-N 445.995 4.853 30 10 IJEE C#CC[C@H](NC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1)C(=O)OC 1556971202 RYXJBPZILISYEG-RJYQMNAMSA-N 445.540 4.549 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1562477048 PJPIOULKHGUGRY-QGZVFWFLSA-N 445.629 4.698 30 10 IJEE C=CC1(CC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)C1 1566418324 SLXJLTGBYJLJNO-MRXNPFEDSA-N 430.442 4.749 30 10 IJEE C#Cc1ccc(C(=O)N[C@@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)nc1 1583566144 SWWQRPCXAFPAQQ-NRFANRHFSA-N 428.385 4.771 30 10 IJEE CCOC(=O)CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H](C)c1ccccc1 1584238989 HGBUXVDNEAKOLB-FQEVSTJZSA-N 442.515 4.904 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(CCCC)[C@H]2CCc3ncsc3C2)cc1OC 1585433282 LEBVASLTGUFAPH-BEBFYNPSSA-N 426.582 4.916 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)n3)cc21 1585552532 VOLHCJKHBNZQQV-UHFFFAOYSA-N 425.414 4.988 30 10 IJEE C=CC1(CC(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)CN(C(=O)OC(C)(C)C)C1 1587383488 ZDCLCTBQYLHNGN-UHFFFAOYSA-N 436.508 4.658 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1cccnc1)C(C)C 1587594711 XVUXTENUGUWGEY-LAUBAEHRSA-N 437.975 4.900 30 10 IJEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1588433566 QCQPXOLCELWOKO-IFMALSPDSA-N 438.616 4.589 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C)CC1 1589504654 IZJRKRVKJFIOPQ-MSYCTHLASA-N 440.588 4.570 30 10 IJEE C=C(C)COCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(C)C 1593718360 VOONKYZPBPNOFE-UHFFFAOYSA-N 425.346 4.532 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2ccc(Cl)nc2C1 1593817929 LFLGVXZRBVBLGF-AWEZNQCLSA-N 448.329 4.921 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1593914186 DNIRNDDNXLPLOA-KRWDZBQOSA-N 432.996 4.911 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[S@](=O)C(C)(C)C)CC1 1594014215 QKVGIKDAHVMUJG-GEFUHLBYSA-N 444.645 4.739 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(CC)CCC)CC1 1594209459 XFVWSZOPGDKGGR-UHFFFAOYSA-N 446.437 4.842 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)c2ccccc2)CC1 1594497611 KGYIZQYTSQUTHF-OAQYLSRUSA-N 437.632 4.880 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1594572547 FFKRGXCONCHMDI-QHCPKHFHSA-N 432.515 4.910 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1594582432 QOOCTYRWRCMKPV-QHCPKHFHSA-N 433.604 4.914 30 10 IJEE C=CCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](COC)C1 1594687428 RABNJSCSZNVLJD-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC(O)(CC)CC 1595109394 YLXKBIDXNYLHLE-UHFFFAOYSA-N 425.964 4.737 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](C)C1)C(C)C 1595166721 WWIMTWFKCKIQNJ-MZKRTTBSSA-N 425.596 4.875 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1595222749 JGFSWGQNUIXEKN-OYRHEFFESA-N 439.623 4.943 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1595239742 RFIOVIOTCQSUMM-RBZQAINGSA-N 438.616 4.816 30 10 IJEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCSC1(C)C 1595302851 FPMPOFHDBVNNET-GOSISDBHSA-N 435.037 4.693 30 10 IJEE C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1C(=O)OC(C)(C)C 1595475790 FZCUBGQKBMQQHY-SJLPKXTDSA-N 436.512 4.720 30 10 IJEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC=C(Br)C1 1595854891 QKBRDIDQTPLNCS-UHFFFAOYSA-N 433.419 4.916 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCCc4cc(C(C)(C)C)ccc43)ccc2c1=O 1596248888 OZFDNHOPNMZEAE-UHFFFAOYSA-N 433.577 4.762 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCC(C)C)c2ccc(Cl)cc2)c1 1596577625 BJMKWCMBBDSADU-OAQYLSRUSA-N 434.989 4.712 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)CC)cc1)c1ccccc1 1611052902 LRHUSCSXAYCXQP-QFIPXVFZSA-N 435.570 4.736 30 10 IJEE C=CCn1c(SCc2ccc([N+](=O)[O-])cc2F)nc2sc3c(c2c1=O)CCCC3 1613283723 KXPORHBXNSYZMH-UHFFFAOYSA-N 431.514 4.862 30 10 IJEE CCc1cccc(C)c1Nc1nnc(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 1613409557 BZSVOGOJIZLBIT-GOSISDBHSA-N 435.578 4.922 30 10 IJEE C#C[C@@](C)(CC)NC(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1624415187 LLNKSEMBSCUUKS-IGKIAQTJSA-N 430.548 4.778 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)N(CCCC)c3ccccc3)c2)CC1 1625399757 NEMFLPMXYAKNQH-AQYVVDRMSA-N 438.593 4.604 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC3(c4ccccc4)CCCCCC3)ccc2c1=O 1626704829 CPWNOFFYKKAWBS-UHFFFAOYSA-N 447.604 4.893 30 10 IJEE C=C(CN(C)C)C(=O)Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1Cc1ccccc1 1632587225 PGULGNFVAKGSMM-UHFFFAOYSA-N 429.351 4.962 30 10 IJEE C/C(=C/C1CCC(C)CC1)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1633104400 MBAPHSDMBJSRQU-ORXMYKNRSA-N 444.417 4.931 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 1633505655 UUPAQIYLOKLHAA-UHFFFAOYSA-N 430.545 4.835 30 10 IJEE CC(C)c1ccc(-n2cc(O)c(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)n2)cc1 1641407825 CRAUZWMSNMUISG-UHFFFAOYSA-N 429.505 4.949 30 10 IJEE C/C(=C/C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)CN1CCOCC1 1642973525 UOIRFQPVUYIBHS-VBKFSLOCSA-N 427.957 4.580 30 10 IJEE C=CCOc1c(Br)cc(CNCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cc1OC 1648927038 GJXVHPVOLUFYLQ-IAGOWNOFSA-N 439.438 4.869 30 10 IJEE C=CCn1c(SCc2ccoc2C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 1651548653 KJAJEUBTZMZUML-UHFFFAOYSA-N 430.551 4.585 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)CC2)cc1 1662091135 DZIPPKKVZGBMIO-UHFFFAOYSA-N 448.324 4.828 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1 1665945498 IDWGGGCGJSXMQO-UHFFFAOYSA-N 441.575 4.865 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)c1ccc(Br)cc1 1667980913 MRTWBPSSMYKJQK-HXUWFJFHSA-N 429.358 4.938 30 10 IJEE C#CC1(F)CN(C(=O)NCc2ccc(Oc3ccc(F)c(F)c3)cc2C(F)(F)F)C1 1668150350 LIBHBQCNELNODZ-UHFFFAOYSA-N 428.332 4.643 30 10 IJEE N#CC1(CS(=O)(=O)NCC2(c3ccc(Br)cc3Cl)CC2)CCCCC1 1669380737 CMIFBPLFUGCNRP-UHFFFAOYSA-N 445.810 4.528 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1C#N 1669598509 GYQACNBCLUDWJJ-UHFFFAOYSA-N 449.555 4.550 30 10 IJEE C#CCC1(NC(=O)Nc2ccc(Sc3ccccc3)c(C(=O)OCC)c2)CCOCC1 1669649307 BIYACCSZZDZHLD-UHFFFAOYSA-N 438.549 4.709 30 10 IJEE COc1c(C)cnc(CN(C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1C 1669880935 HVDYOYGXBUVKDY-UHFFFAOYSA-N 446.555 4.726 30 10 IJEE C[C@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)no1)c1ccc(-c2cccc(C#N)c2)cc1 1671555836 IFKVULJHMGSDKV-STQMWFEESA-N 429.402 4.748 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 1672210024 OSKHZBWKYMBKQR-XLIONFOSSA-N 448.336 4.720 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)NCc3cccc(Oc4ccccc4)c3)CC2)c1 1674481979 CHHALPNMOICJTH-UHFFFAOYSA-N 440.547 4.814 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1ccc(CC)s1 1690064029 XRTFANSPNDKVPF-UHFFFAOYSA-N 429.387 4.839 30 10 IJEE C=C(Cn1c(N(CC)C(C)C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1690326275 XZUUUDWPIYGEKY-OYRHEFFESA-N 439.604 4.997 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCC[C@H](O)C1 1690519710 UYIFFCZNAJVWBC-APWZRJJASA-N 426.561 4.986 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1690540799 BQVAHFYGEOQNPM-XLIONFOSSA-N 429.996 4.990 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[C@@](C)(O)c1ccccc1)C1CC1 1690553901 MCRPUSUMXLYNJR-XLGIIRLISA-N 438.616 4.649 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](OC)C1CC1 1690581832 ZDHUSLKSQSCCST-QHAWAJNXSA-N 444.645 4.876 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC1(C)C 1690605258 CTMPEDWAKCOCRY-HNNXBMFYSA-N 444.377 4.910 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2csc(C(C)C)n2)C1 1690709167 DAEHGSWENLMESX-LJQANCHMSA-N 443.642 4.534 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H]1CC 1705526642 MXXKCRWCWJEPGK-BEFAXECRSA-N 431.378 4.754 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1C[C@H](c2ccccc2C)C1 1705587566 ADZYNCAKXBWOOX-LUGTWXOSSA-N 430.596 4.697 30 10 IJEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1705664604 VBZGRVVFFUKQKS-FGZHOGPDSA-N 438.641 4.857 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC[C@@H]1OC 1705712161 LHOFGRKOKVIORD-KXBFYZLASA-N 439.387 4.706 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Cn2cccn2)CC1 1705811502 FMGFIWODOYBIBZ-LJQANCHMSA-N 438.551 4.637 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC(F)(F)C1 1705836378 QOXYUMOIRKGRBA-LBPRGKRZSA-N 429.284 4.904 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@](C)(O)CCC(C)C 1722285209 QIRIXMHLCUYPRJ-VGOFRKELSA-N 447.421 4.661 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC(C)(C)[C@H]1C 1722338370 GZGMIAOYFOMQLP-LJQANCHMSA-N 445.007 4.669 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)Oc1ccccc1C 1722345916 KEOUSQACYWDVIV-HKUYNNGSSA-N 434.609 4.977 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1CCC[C@@H]1OC 1722375504 DMAOILODCOHLNH-AEFFLSMTSA-N 438.984 4.701 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1722388299 SJXMIUDLZFOIJX-INDMIFKZSA-N 436.522 4.563 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1C1CC1 1722407952 VCAMRLAZBCSYPY-JTHBVZDNSA-N 435.616 4.511 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(CC)Cc1ccccc1C 1722510164 QGFLVMZJGXTISI-WIOPSUGQSA-N 431.584 4.580 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](OCC)C(C)C)CC1 1722561649 ZFGOGIKRLNVEHL-SFHVURJKSA-N 436.398 4.643 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722599003 AKLSDKJLHXIRDE-FQEVSTJZSA-N 434.563 4.859 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722605643 OEKUBNKIKXKGIA-ICSRJNTNSA-N 431.625 4.717 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1Cc1oc(CC)nc1C 1722659037 PLUZSBHXCPMZLQ-UHFFFAOYSA-N 448.596 4.734 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722734900 DWHFWPGEUMCWCE-MRXNPFEDSA-N 444.992 4.593 30 10 IJEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCSC(F)(F)F 1726501865 IECQOETUNJSVHE-CABCVRRESA-N 439.507 4.607 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1728233386 FQVIKPKWFCAJCH-FGZHOGPDSA-N 439.604 4.663 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CC=CCC1 1740539139 NGXYIAFVYMZBCX-HOTGVXAUSA-N 429.362 4.530 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC1(c2ccccn2)CCC1 1740557992 BPBKYRDOTMRMGO-HXUWFJFHSA-N 431.609 4.854 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740585562 VZMBPAMVNHBTRC-RBUKOAKNSA-N 448.640 4.709 30 10 IJEE C#CCN(C)c1nnc(COc2ccccc2CC)n1Cc1cscc1C(F)(F)F 1740614439 RDJBMJXHMUQLFK-UHFFFAOYSA-N 434.487 4.618 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCSC1(C)C 1740645479 NUAHXFYFYWMANC-KRWDZBQOSA-N 445.057 4.828 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCCC=C 1740646973 GKWQDXWKXFTBPF-UHFFFAOYSA-N 441.373 4.535 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]1c1ccco1 1740711132 HUGPJXBTCAWYTQ-SFHVURJKSA-N 444.507 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCN(CCC)C1 1740770836 IBYWSUKHHFXRHU-SFHVURJKSA-N 446.437 4.842 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCSC1 1740856700 XIVAUPPAYLRCBA-XMMPIXPASA-N 437.613 4.544 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(OC)cc1C(F)(F)F 1740929814 IQXQPBNIXFCYOR-UHFFFAOYSA-N 443.473 4.903 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](OCCC)CC2)cc1 1740969046 SJHVXHFISAUCGO-FYYLOGMGSA-N 440.588 4.528 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C)(C)CC2)c(C)o1 1742093136 CTHBKJIYUIYBFT-RUZDIDTESA-N 433.556 4.561 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@H](c1ccsc1)N(C)C 1749162657 UATVEZBOUWTVIG-OAQYLSRUSA-N 427.593 4.775 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1749239244 HDDVEUWUVDQIFM-VXKWHMMOSA-N 442.629 4.619 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1749335994 WGJLKWZJOPSRII-WMZOPIPTSA-N 430.980 4.825 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@@H]1CCCCO1 1749355659 MXXBSKQCIXCCAR-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1749373270 JYMVYRDJGSTUNN-QFIPXVFZSA-N 436.625 4.981 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCOC1 1749548435 DMABEFSPJKTPDD-QGZVFWFLSA-N 439.541 4.534 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCc1c(F)cccc1F 1749591031 LWKFPIPMVYBLOI-QFIPXVFZSA-N 442.510 4.869 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)CC1 1750673292 GRMHEGSUGKULAT-JOCHJYFZSA-N 439.629 4.887 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)c1c(C)noc1C 1760195071 WEMBFZNVMGKZOM-GCJKJVERSA-N 445.567 4.516 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1760405011 PNLQINWKKWPGRG-QFIPXVFZSA-N 443.586 4.994 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1760420757 VJMDZCJTQMWTFB-XMMPIXPASA-N 449.643 4.723 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCC[C@H]1C 1760484938 OODMVHXOVGPMCA-KOSHJBKYSA-N 440.588 4.813 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC[C@H]1C)OC 1764045846 GXGKXXRFVFSWKV-DYESRHJHSA-N 427.618 4.600 30 10 IJEE C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 1772543590 YISXLGHNXMEXFI-UHFFFAOYSA-N 428.602 4.577 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(NC(=O)c4ccco4)cc3)c2C#N)C1 1860138705 MGDCBWHUTTXUQE-CQSZACIVSA-N 435.505 4.607 30 10 IJEE CCCCCCCCNC(=O)CNC(=O)c1ccc2nc(CCc3ccccc3)[nH]c2c1 1860965830 IUHGYYXSCFFHQX-UHFFFAOYSA-N 434.584 4.555 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861220639 VMRIIFDNIYSOKC-BVAGGSTKSA-N 429.649 4.660 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCCN(C)C)cc1 1862432161 XVPINVNOANGZSX-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCC)cc1 1862435667 BKDHBOVOOGZQAD-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862452592 GNGLMUXXPVIDCU-KRWDZBQOSA-N 436.291 4.696 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2[C@@H](C)CC)cc1 1862460220 TTZGHAAJSQCMSM-FKIZINRSSA-N 433.426 4.879 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(Br)cc1)c1cccc(O)c1 1862599876 MGEPMOYNMOYAMV-IBGZPJMESA-N 442.309 4.676 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862637808 MVORQUSDWGIYDR-HSZRJFAPSA-N 447.462 4.621 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C(C)C)cc1OC 1862655146 AOMXCADWDFPFGL-HSZRJFAPSA-N 431.488 4.844 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 1862680454 CAWSOMKQQNZLDB-IBGZPJMESA-N 447.890 4.962 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862716849 PMABDAPTFTWASM-MZNJEOGPSA-N 445.515 4.588 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2F)cc1 1862735491 MGGDBGDNPTWTHH-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(Cl)cc2)C1=O 1862797195 PWWGRFZQCBMWGP-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE COc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2ccccc2C#N)c2ccccc2)C(C)C)cc1 1866978106 AREWQAOSCGXTIN-JWQCQUIFSA-N 441.531 4.803 30 10 IJEE CCCCCCCOc1cn(CCNC(C)=O)c(CSCc2ccccc2)cc1=O 1870259905 OGDFPPKJTMWNND-UHFFFAOYSA-N 430.614 4.767 30 10 IJEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CNc1ccc(C(C)C)cc1 1870844272 JHSVFXUGNKEBAY-UHFFFAOYSA-N 426.557 4.882 30 10 IJEE COCCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 1871437729 ABYXSEAREZTTPP-ZDFPAGSVSA-N 437.275 4.567 30 10 IJEE COC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc(N(C)C)cc2)C3=O)o1 1871438599 HFNMGQKEGDWPIR-UUYOSTAYSA-N 433.460 4.636 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(OCCCCCC)cc1)C(C)C)S(=O)(=O)CC 1872161536 PYFKKFKMLNJOTM-JOCHJYFZSA-N 438.634 4.837 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)cc2C)cc2c(NCCCCN3CCCC3)ncnc21 1873634689 PNUSKGBORUIJGC-UHFFFAOYSA-N 446.599 4.774 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1ccccc1O 1874202017 GGHYFKNYXBHKHH-LFVJCYFKSA-N 440.569 4.561 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1ccc(F)cc1 1874228890 JFRABOFKJAWZJL-BUVRLJJBSA-N 426.517 4.945 30 10 IJEE C=CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874249922 OOWSQQRTJJPNTA-XQNSMLJCSA-N 437.525 4.667 30 10 IJEE C=CCSc1nnc(COc2ccc(OC)cc2)n1/N=C/c1ccccc1OCCC 1874293673 NUTVJPFJORTEHH-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2cccn2C)cc1 1874350263 CLQVRCIUWWSNKC-MFKUBSTISA-N 435.528 4.530 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)NCc3ccco3)nnc2-c2ccco2)cc1 1874465087 SDEUQOMOJUQLTR-DHRITJCHSA-N 449.536 4.545 30 10 IJEE CCSc1nnc(CCOC)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874470375 BOPSTSRACUSORM-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE CCCc1nnc(SCc2ccccc2C)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874504869 FUCKSLAAHLURPI-ZVHZXABRSA-N 440.569 4.739 30 10 IJEE Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCCO3)c(C)c1 1874580685 BIGFNAILBVOOIF-DHZHZOJOSA-N 443.499 4.988 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 1874608268 FSLRNFDGKVNHIX-KPKJPENVSA-N 431.916 4.501 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(/C=C/C(=O)c2ccccc2OC)ccc1OC 1874698963 WPRLBGSTICWSIK-WYMLVPIESA-N 448.471 4.593 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc(Br)c1OC(C)=O 1875109389 LRQCOVJPOPSOHW-SOFGYWHQSA-N 433.298 4.986 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C1CCCC1 1875194991 IWILQMBLLVEBGM-FMIVXFBMSA-N 440.492 4.713 30 10 IJEE N#Cc1cnc(Nc2cc(I)ccc2Br)c(Cl)c1 1917229932 DAZBWAAZSXVOGE-UHFFFAOYSA-N 434.462 4.717 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@]1(O)CCc2c(Br)cccc21 1922075212 UTLBDHZJAAOQTF-PKTZIBPZSA-N 430.386 4.724 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1c(Br)cccc1Br 1937852390 MTHKYOXNESHBJO-HIFRSBDPSA-N 447.167 4.552 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1944716911 IELADBAKNVLOSN-MOPGFXCFSA-N 431.533 4.728 30 10 IJEE CC(C)(C(=O)O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C#N)n1 1952526194 WINRTPQATDZINA-HSZRJFAPSA-N 441.487 4.644 30 10 IJEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)C1(Cl)CC1 2025839369 CZCHGPMJQIRNHI-SANMLTNESA-N 439.047 4.654 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2N2CC[C@]2(C)CCOCc2ccccc2)OC1(C)C 2077041611 DQGMKXSVFWQAMO-XMMPIXPASA-N 442.796 4.610 30 10 IJEE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C#N)c2I)c(F)c1 2079131414 SYQHQCIBTLXCHJ-ZDUSSCGKSA-N 449.189 4.825 30 10 IJEE CCc1nn([C@H](c2ccc(C)c(F)c2F)C(C)C)c(I)c1C=NO 2079874242 BHLJJVUIKUUSPV-INIZCTEOSA-N 447.267 4.690 30 10 IJEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)c1ccsc1S(C)(=O)=O 2150480433 GUNGCMSIRBNSSH-HNNXBMFYSA-N 426.947 4.811 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1C#N)[C@@H]1CC=CCC1 2196084883 HVYPSOFNESCWIO-DYVFJYSZSA-N 434.334 4.509 30 10 IJEE CN[C@H](C#Cc1ccc(Cl)cc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2216975113 VCYSJVHAYDKFTC-NMNUPHIUSA-N 442.987 4.778 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC(O)(C#Cc3ccccc3Br)CC2)C1 2235726916 YTZIMTWPBFCPNO-UHFFFAOYSA-N 434.374 4.733 30 10 IJEE C[C@H](NC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)c1ccc(NC(=O)OC(C)(C)C)cc1 2255866952 WXEOCDADFQFIJO-JCGIZDLHSA-N 430.354 4.693 30 10 IJEE C[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)c1ccccc1NC(=O)OC(C)(C)C 2265861591 ATYCZOZLJWGQTH-MRXNPFEDSA-N 440.349 4.868 30 10 IJEE C[C@H](C#CC(=O)N(c1ccccc1)c1ccccc1)OC(=O)C=CC1=CCC[C@@H]([N+](=O)[O-])C1 2294965042 DBVXCYXESDPNAF-HYBUGGRVSA-N 444.487 4.598 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1[C@H](N)C#Cc1cccc(Br)c1 2296229471 JWMICAPUYOOPTD-RNQOJCNYSA-N 433.390 4.696 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([C@H](N)C#Cc3ccc(Br)cc3)CCC[C@H]21 2296288557 ILSLFIQELDRHTD-UAFMIMERSA-N 433.390 4.554 30 10 IJEE Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cc(F)ccc3F)S2(=O)=O)cc1 2297378522 ZWRSQOAYMAHWOC-UHFFFAOYSA-N 446.500 4.821 30 10 IJEE Cn1cc(C=C2Oc3c(ccc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)C2=O)c2ccccc21 2297639841 LRUYTPRURBPTSD-HXUWFJFHSA-N 437.451 4.941 30 10 IJEE Cc1ccc(C(O)=C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2297745439 FIFSSNMCRMDLGB-QHCPKHFHSA-N 442.471 4.568 30 10 IJEE C[C@@H]1[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317346253 FWWNHJPDPCXARD-SJLPKXTDSA-N 429.370 4.536 30 10 IJEE COc1cc(C=Nn2c(S)nnc2Cc2ccccc2)ccc1OCc1ccccc1 2323511329 OAUZTDIJJQFRLQ-UHFFFAOYSA-N 430.533 4.627 30 10 IJEE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323790719 FRCHKKWXWZDYRA-UHFFFAOYSA-N 429.472 4.987 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC(N)=O 2323888915 RNURMDRPQALYLL-UHFFFAOYSA-N 428.699 4.806 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C2=O)cc1 2324969361 KLPXJBBEHUOKJS-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(F)c3)n2N=Cc2cccnc2)cc1 2328573515 GMAWHKGGFWPAIC-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccco1 2329722552 QHVVLULYNVZNFA-UHFFFAOYSA-N 449.511 4.522 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2OC)cc1 2331051428 PBHGMPCLKKQRNB-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE COc1cc(C=CC(=O)c2cccc(Cl)c2)cc(OC)c1OC(=O)c1cnc(C)cn1 2331122064 FBBZFQJAFBLDIV-UHFFFAOYSA-N 438.867 4.571 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2Cl)n1N=Cc1cccc(O)c1 2331309090 VHPRBZLSASJPND-UHFFFAOYSA-N 437.352 4.654 30 10 IJEE CCCCOc1ccc(C=Nn2c(SCC(=O)OCC(C)C)nnc2C(C)(C)C)cc1 2331406385 HJVRVBBWPKDJGW-UHFFFAOYSA-N 446.617 4.928 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccccc2F)c(C)c1 2331712728 BMFDRQVXZGKXPH-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c1 2332153529 UOCBCWDSOPMDIU-UHFFFAOYSA-N 449.514 4.737 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C 2358671095 FFJLVPZMPLWREG-VDGAXYAQSA-N 435.406 4.814 30 10 IJEE CSC1(C#C[C@@H](OCCN)c2cc(Br)c(Br)s2)CCC1 2361300326 SXWHSZJFTLBYLJ-LLVKDONJSA-N 439.238 4.579 30 10 IJEE N#Cc1ccc(N[C@]2(C(=O)O)CCCC[C@@H]2OCc2ccccc2)c(Br)c1 2377845528 JUWMDXPYPXHKOS-PZJWPPBQSA-N 429.314 4.715 30 10 IJEE C=CCn1c(CCc2ccccc2)nnc1SCCC(=O)Nc1ccc(C(C)=O)cc1 20290509 RFDPCMUMJDCGNI-UHFFFAOYSA-N 434.565 4.573 30 10 IJEE C=CCn1c(SCC(=O)c2ccccc2OC)nc2sc3c(c2c1=O)CCCC3 23559154 GKOPXAHCWSGFQQ-UHFFFAOYSA-N 426.563 4.506 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2ccccc2C)Nc2cccc(SC)c2)c1C 32972217 IMIYXIGGULMZLM-UHFFFAOYSA-N 435.597 4.948 30 10 IJEE CCn1nc(C)c(CCN/C(=N\C(=O)c2ccccc2C)Nc2cccc(SC)c2)c1C 32973367 ADQVQUBOTNCKFF-UHFFFAOYSA-N 449.624 4.991 30 10 IJEE Cc1nnc(/N=C2/S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)s1 39866562 OFWPJXJIYOQSHE-NIPZQEADSA-N 429.527 4.691 30 10 IJEE COc1cc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccccc2)C3=O)cc(OC)c1OC 41290453 WYKDAOGNAAJFAP-NDENLUEZSA-N 446.455 4.856 30 10 IJEE Cc1cccc(/C=C2\Oc3c(CN4CCN(c5ccccc5)CC4)c(O)cc(C)c3C2=O)c1 41585100 MMXMHSDQJDKJMB-UQQQWYQISA-N 440.543 4.947 30 10 IJEE CC(=O)Nc1cc(C(=O)/N=C(/NCc2cccnc2)Nc2cc(Cl)ccc2C)ccc1C 46127186 COCWQKPTNNNESI-UHFFFAOYSA-N 449.942 4.708 30 10 IJEE CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)cc3)S2)cc1 100184431 CAVKRYXZZAJZFW-GOTYSUTNSA-N 431.945 4.719 30 10 IJEE O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1 103098101 NYGTUBANFZHFRB-LCPUNJGISA-N 434.835 4.875 30 10 IJEE COc1cc(/C=N\n2c(S)nnc2-c2ccco2)ccc1OCc1cc(C)ccc1C 169913346 YLLIUOYENHJFIJ-CFRMEGHHSA-N 434.521 4.913 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccn2)c1 169937596 UBPZDNNQGSIWHQ-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CCOC(=O)c1sc(N/N=C\c2ccc(OC)c(OCc3ccc(C)cc3)c2)nc1C 169941481 NHYBNYIAGJLHGM-CFRMEGHHSA-N 439.537 4.970 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2ccc(O)cc2)cc1 169959716 QFYFKPXFJQMTCC-NRFANRHFSA-N 435.863 4.837 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC(C)C)cc1 169977914 LUXNDONRGOFZMQ-QHCPKHFHSA-N 449.503 4.835 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)c1 170047798 CLDPBCFSMQAGGE-DEOSSOPVSA-N 442.515 4.934 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccc(C)o2)c1 170102412 AJNGLKRCFXVJFF-QHCPKHFHSA-N 447.487 4.774 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2cccc(C)c2)c1 170141013 SBCPBDABTFJJSX-QHCPKHFHSA-N 427.456 4.815 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1OC(C)C 170150510 IMALHVXVHQAYBN-DEOSSOPVSA-N 445.515 4.852 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccccn2)c1 170175782 KFQLYEUNRCBNID-QHCPKHFHSA-N 439.471 4.525 30 10 IJEE Cc1ccc(-c2csc(C3=C(N)N(c4cccc(C(=O)OC(C)C)c4)CC3=O)n2)cc1C 170180297 RGZHOXLHGKIPQR-UHFFFAOYSA-N 447.560 4.709 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)c(C)c2)[C@H]1c1ccccn1 170180989 FVUVYQCKRRZDAA-LJQANCHMSA-N 443.341 4.921 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccncc2)cc1C 170198311 IGGDIDSGGWKVHW-NRFANRHFSA-N 434.517 4.629 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)o2)cc1 170301279 PNRIHARCVVCFLA-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1sccc1C 170313013 ZFRAEMLYUAXTJY-IBGZPJMESA-N 427.566 4.887 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)c(Cl)c2)c1 170366640 TUWCAPNFQHYXSK-IBGZPJMESA-N 441.892 4.899 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccco1 170370953 LNUCQVSLWIEHBT-GOSISDBHSA-N 429.350 4.961 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccccc1)c1ccncc1 170371196 HYMKYUSXMAXYAR-IBGZPJMESA-N 440.377 4.763 30 10 IJEE CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O 229663180 ZYWNHJSLAHQRFL-NNLCKWJRSA-N 443.544 4.867 30 10 IJEE CCC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccccc1OC 254739533 LBEBIAIBSJHNIA-UZLBHIALSA-N 425.554 4.844 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)N1CCCC[C@H]1C)C(C)C 489639223 FDXIEXOOACAKOK-KNQAVFIVSA-N 442.629 4.869 30 10 IJEE C[C@@H](Cc1ccccc1F)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 507746791 FQEZWLKVLRUHRE-ZDUSSCGKSA-N 427.530 4.594 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 508904972 XEXLZJSXBOTEJK-QAPCUYQASA-N 445.976 4.600 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 508908196 RFIJBDFDVXGIHA-ROUUACIJSA-N 440.979 4.602 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccccc2OC)c(OC)c1 526490395 NPXFRQYBTYVRMX-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc(CCN(CCCC#N)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 586134664 YGYDICKRCLDMSY-UHFFFAOYSA-N 427.353 4.539 30 10 IJEE COc1ccc(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1F 586245427 DTXXTKXAHWPNBK-UHFFFAOYSA-N 428.460 4.549 30 10 IJEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1CCN(c2nc3ccccc3s2)CC1 589302650 JLMCKBSSOASBMW-UHFFFAOYSA-N 443.494 4.699 30 10 IJEE N#Cc1ccc(CNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(F)c1 609229407 MTLMMINOSVYSFT-UHFFFAOYSA-N 427.435 4.555 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)c1ncc(I)s1 698406867 LOOPYSKNUFTDJF-LBPRGKRZSA-N 447.342 4.882 30 10 IJEE Cn1ncc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)c1Cl 712455483 LCGMCLBNUVVWFK-AWEZNQCLSA-N 425.714 4.842 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1OC 732007501 YWSRUJZSYSFIBR-NERBZQGISA-N 432.564 4.585 30 10 IJEE C#CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)SC1=Nc1ccc(C)cc1C 742214758 KDLFPVGIRIHXTR-JOCHJYFZSA-N 444.560 4.549 30 10 IJEE C=CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)c1ccncc1 745827221 HOKOIHSEVVCIML-RBUKOAKNSA-N 447.320 4.850 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C 778297376 IIVZMRAXCCRBLP-ACJLOTCBSA-N 448.489 4.638 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2CCC(CCc3ccc(OC)cc3)CC2)c1=S 813076755 QBHLMBPYAQOSMT-UHFFFAOYSA-N 449.624 4.973 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1)c1cccs1 1084427114 BOLXSBAVOMBODA-UHFFFAOYSA-N 441.369 4.740 30 10 IJEE N#Cc1ccc(SCC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)cc1 1128089360 AVIBOSUTKVDFBK-IBGZPJMESA-N 429.383 4.940 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)CCCN1C(=O)OC(C)(C)C 1128206636 ISZLFCHNWFZDJF-ISJBWFOZSA-N 442.600 4.832 30 10 IJEE C=CC[C@@]1(C(=O)Nc2nccc(Br)c2Cl)CCCN1C(=O)OC(C)(C)C 1130641028 GBORMUGKGQCCCU-SFHVURJKSA-N 444.757 4.782 30 10 IJEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(COc2ccc(Br)cc2)o1 1159777209 ARDOSSWCMLANDT-GOSISDBHSA-N 432.314 4.761 30 10 IJEE C=CCn1c(SCc2occc2C(=O)OC)nc2cc(-c3ccccc3)sc2c1=O 1165302765 CUNISZZLTKLCST-UHFFFAOYSA-N 438.530 4.983 30 10 IJEE C=C(C)[C@@H](N[C@@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC)c1ccc(F)c(F)c1 1169473375 OTWWAMKNUGTUOX-ORAYPTAESA-N 436.524 4.999 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1OC 1182203975 OLIZHJLFJQMBGU-FUHWJXTLSA-N 438.996 4.896 30 10 IJEE CC(C)c1n[nH]c(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)n1 1201257533 GYQQNOSKCXLCPZ-UHFFFAOYSA-N 444.417 4.933 30 10 IJEE CC(C)(C)Oc1ccc(NC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1C#N 1205448266 GFZDUJCXGXEXKE-GOSISDBHSA-N 446.551 4.884 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)c1 1264784757 JTTSLYYLKJLSGJ-INIZCTEOSA-N 448.972 4.578 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 1271329876 GSRSPUFPQSMOBG-HSZRJFAPSA-N 433.552 4.568 30 10 IJEE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1271682335 HADFAZFJOAOBLB-HSZRJFAPSA-N 449.551 4.610 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1286626510 YDXSYELNBWJFJC-OAQYLSRUSA-N 444.023 4.797 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286689479 RMBNOJDQGNPNSS-HXUWFJFHSA-N 445.995 4.594 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCC1(C)C 1286743108 ZRFXOKZLUKUFPP-QFIPXVFZSA-N 429.572 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC=CO1 1286750153 RAHPZYNTLXCCOF-SFHVURJKSA-N 427.599 4.581 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)c1ccc(F)cc1 1286769519 ZHKXJHYDGFTCDV-STZQEDGTSA-N 444.595 4.778 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2CC(C)(C)C2)C1 1286802405 AXFGOTOUQZNPSN-LJQANCHMSA-N 445.405 4.925 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C(F)(F)F)CC1 1286834420 DSJUKMPLLHUPDN-UHFFFAOYSA-N 444.498 4.694 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 1299074229 SSKQEDWPUIUKSV-HKUYNNGSSA-N 444.963 4.577 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)c2ncco2)s1 1299940489 GPOZCSUODDSGOG-INIZCTEOSA-N 433.986 4.927 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCCN(C(C)C)CC1 1300386910 WGDTXDBRYLGZDD-UHFFFAOYSA-N 448.640 4.711 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)C(F)(F)F 1300602609 SHAUXGLDGFDRCZ-MRXNPFEDSA-N 438.494 4.865 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1300737884 SJCZEPNDMZMFRO-PGRDOPGGSA-N 442.581 4.669 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 1300874553 KVKXMHYHIMIVMK-NNWRFLSQSA-N 445.007 4.831 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCOC[C@H]1C 1300972462 MCPGFHJIBMSTKJ-RTBURBONSA-N 448.995 4.506 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)OC(C)(C)C)CC1 1301097152 QCTQYVGOBZAIHG-UHFFFAOYSA-N 443.617 4.560 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)[C@H](C)CC)CC1 1301112372 SQKQNGUYVVNDIA-QGZVFWFLSA-N 433.547 4.679 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2nccs2)CC1 1301114783 WRJKAHRYQUOQOR-UHFFFAOYSA-N 444.402 4.923 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301228010 ZCRRJIPKHHIUDI-GOSISDBHSA-N 427.643 4.841 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1301334393 KWCDUKZGLCWLLG-JOCHJYFZSA-N 425.621 4.723 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCN1CC 1301351166 LOSPATAGVOXYGK-GGAORHGYSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2)n1CCCn1ccnn1 1301359165 FHMWTVFEUVWLRG-UHFFFAOYSA-N 439.976 4.534 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1301434064 FHNFEJQDGMNNGG-GFCCVEGCSA-N 448.315 4.634 30 10 IJEE C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301446018 VOQHOYYUGMUWTC-DEOSSOPVSA-N 428.577 4.570 30 10 IJEE C=CCOc1c(Cl)cc(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1OC 1308402542 DUCVTCQMRYCEIV-QGZVFWFLSA-N 431.838 4.635 30 10 IJEE Cc1cc(C#N)cc(NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)c1 1310871351 FWQQBQSOKPTMOT-LEWJYISDSA-N 438.503 4.530 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1312535006 IULYBIYMTHJMHY-WEFJBSGNSA-N 435.515 4.669 30 10 IJEE C=CCC1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)CCCC1 1312685528 FTNOOJCRLTXOOB-DLBZAZTESA-N 447.542 4.858 30 10 IJEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1)C(C)(C)C 1315194653 GGLQHYKHKUYHQY-SFHVURJKSA-N 435.494 4.657 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1351263318 JHYOVZASVAOEAD-NRFANRHFSA-N 437.342 4.721 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1351946258 YVMGFMHANLREDP-QHCPKHFHSA-N 426.582 4.940 30 10 IJEE C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1354735613 CJJJGAVOMPKYRT-YOEHRIQHSA-N 442.346 4.970 30 10 IJEE C[C@@H](CC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2)n1cc(Br)cn1 1356175743 BXXFCSVTILGTOQ-LBPRGKRZSA-N 441.354 4.934 30 10 IJEE COc1ccc(C2(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)CCC2)cc1OC 1356209172 BQYYJTUCOPTEOG-UHFFFAOYSA-N 429.476 4.823 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCCN1CCCC[C@H]1C 1358873500 JZNYJZIOCKNFKY-DHIUTWEWSA-N 433.644 4.861 30 10 IJEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC)CCCC1 1358888970 UYLBGJGJJNNQRJ-IBGZPJMESA-N 443.636 4.821 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1ncc(Cl)n1C 1358920733 GTFHCZKMAIGREI-OAHLLOKOSA-N 447.370 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1359092989 IUMBJETWMRRSLZ-QRICJDHISA-N 438.616 4.837 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CC(F)(F)C2)CC1 1359173178 XYCADVLDSMUHLT-UHFFFAOYSA-N 429.515 4.595 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1359179925 KZIYRYWANOIQQQ-WZONZLPQSA-N 430.543 4.611 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCCC1(C)C)C1CC1 1359248740 ACLKFYAFMNTDSX-JOCHJYFZSA-N 445.405 4.804 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cn3ccccc3n2)n1C/C=C\CC 1359257007 XEHNQZUCJYKDFA-ALCCZGGFSA-N 437.551 4.547 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[C@H]1CCO[C@@H](C)C1 1359261383 GZBWGAVAEMZAIN-UNMCSNQZSA-N 449.574 4.801 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H]2CC=CCC2)cc1 1359308459 OURLRYKAXYKUFW-QFIPXVFZSA-N 446.599 4.545 30 10 IJEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2cc(Br)ccc2n1-c1ccc(C)cc1 1360838895 QUYGGGSYZRGGLV-APWZRJJASA-N 426.314 4.626 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 1434998893 XCWPPYKBLGKQMW-QZTJIDSGSA-N 433.277 4.815 30 10 IJEE C=C(C)Cn1c(SCC(=O)O[C@H]2CCCc3cc(F)ccc32)nnc1-c1ccco1 1435388546 SVLXYVFLSWIJEP-SFHVURJKSA-N 427.501 4.966 30 10 IJEE Cc1nn(-c2ccc(C(=O)Nc3cc(C#N)c4ccccc4n3)cc2)c(C)c1Br 1436180705 DHMVRJMNLXPYFP-UHFFFAOYSA-N 446.308 4.924 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1Sc1nccn1C 1442549402 VMJAQXOWSWRKFT-INIZCTEOSA-N 448.564 4.899 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(CCCNC(=O)OC(C)(C)C)cc1 1453349236 UGHCVGYNDWOHCG-IRLDBZIGSA-N 430.589 4.774 30 10 IJEE Cc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccccc2)nn1-c1cccc(C#N)c1 1453769399 HNBJXLPIUAQGRA-UHFFFAOYSA-N 436.397 4.714 30 10 IJEE C=CCCC1(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)CCCC1 1461528320 MLNDIZDKGYYFAP-UHFFFAOYSA-N 427.010 4.673 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cc1 1463230947 KYOZVPDTHPBHAU-UHFFFAOYSA-N 448.629 4.605 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 1463922240 SWOIABHDEOTDOG-REWPJTCUSA-N 432.520 4.945 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)C(C)C 1465214909 MGOWQVAAFAFAEN-NRFANRHFSA-N 439.629 4.526 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(Cl)cc2-c2nc(C3CCCC3)no2)CC1 1465802993 YXAUGGKYRZWQMB-UHFFFAOYSA-N 430.936 4.983 30 10 IJEE C#CCOc1ccccc1NC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1 1466210223 ZOVFJZBMNCVCTK-UHFFFAOYSA-N 441.325 4.810 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccccc2[C@H](O)C(F)(F)F)c1 1466469945 FJRPRJXMJZYJHM-NRFANRHFSA-N 426.394 4.985 30 10 IJEE C#CCOc1ccc(CNC(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1 1470254388 YYHNKSDEOPYXHR-UHFFFAOYSA-N 434.458 4.598 30 10 IJEE N#Cc1ccccc1OCCN1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1473140516 IFPDWCDDVZLQBA-SANMLTNESA-N 431.967 4.998 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cc(Br)ccc2Cl)CC1 1473234850 GFFIYRRAXAWKKT-UHFFFAOYSA-N 447.720 4.544 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CO)c2c(F)cccc2F)cc1OCC 1473998621 DYYYHYSWEHGWFF-KRWDZBQOSA-N 442.300 4.514 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C2CCC1(C)CC2 1507580874 MQKNQVMUEOTWPH-UHFFFAOYSA-N 429.362 4.651 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[C@@H](C)N1CCCCC1 1507644928 PVESEZAYFRHBDI-OAQYLSRUSA-N 449.668 4.613 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1507701008 XAMCDSKCJVRSEI-VXKWHMMOSA-N 439.623 4.939 30 10 IJEE C=C(Br)Cn1c(N2CCC(Oc3ccc(C)cc3)CC2)nnc1C(C)(C)C 1507792162 FOTVCIONWCGLSA-UHFFFAOYSA-N 433.394 4.840 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCSC 1507798039 FYDFGIUKOACESH-AVRDEDQJSA-N 439.629 4.607 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1507926813 UXQYIJXOSRQBOZ-ZWKOTPCHSA-N 446.979 4.817 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1c(F)cccc1Cl 1507986141 JHFFOSPMLRIMOS-SFHVURJKSA-N 449.958 4.813 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 1507989186 XFIUEOHXRHYLET-PXNSSMCTSA-N 443.389 4.844 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCCN1CCC(C)CC1)C1CC1 1507990514 KNEIRWYGWJSFTA-UHFFFAOYSA-N 444.023 4.884 30 10 IJEE C=CCSCCn1c(-c2ccccc2Br)nnc1N1CCS[C@@H](C)C1 1508159840 ZNOQPHCMGRAVKP-AWEZNQCLSA-N 439.448 4.569 30 10 IJEE C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)COCc1ccccc1 1519683473 FQHIOTQWKPSOMU-LJQANCHMSA-N 439.987 4.787 30 10 IJEE CCN1C(=O)C[C@@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@H]1c1cccc(C)c1 1522777307 ALFMCOFWACMNBB-RCZVLFRGSA-N 443.572 4.821 30 10 IJEE C#Cc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)c1 1525405689 UDVPGOFYKORFFP-UHFFFAOYSA-N 449.293 4.705 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1 1526842532 FCOWYUDQBUNSRG-SFHVURJKSA-N 436.335 4.998 30 10 IJEE C#C[C@H](NC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2)c1ccc(Cl)cc1F 1528108198 JKZQZRKLHWBWPF-IBGZPJMESA-N 425.866 4.705 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cccc([N+](=O)[O-])c2Br)C(F)(F)F)cc1 1532570559 UWTNEBGCBUBOFW-OAHLLOKOSA-N 428.160 4.799 30 10 IJEE CCCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1534164326 GHPWFTJTZLGGLT-REWPJTCUSA-N 433.552 4.604 30 10 IJEE C#CCOc1ccccc1CNC(=O)C1(c2cccc(Br)c2)CCCCC1 1538241220 KZSUIRMKJKYLCS-UHFFFAOYSA-N 426.354 4.979 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN(CC)C1CC1 1538971676 HSIDFYKIVQURNE-RBUKOAKNSA-N 444.023 4.631 30 10 IJEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1539139220 GSRBAERLFPLMNF-QGZVFWFLSA-N 441.576 4.934 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)c1ccco1 1539581052 VSDDIDDAERJYSS-ZDUSSCGKSA-N 432.278 4.552 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc3cccnc23)nnc1N(C)CCC(F)(F)F 1539621552 AOTNAVIEIZPLRX-PXNSSMCTSA-N 445.489 4.863 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1539655168 JGSGVOQAEZJPEI-FQEVSTJZSA-N 438.576 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1539677562 HELVDYWVUIPODW-JXQFQVJHSA-N 445.007 4.854 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Nc2cccnn2)CC1 1539988915 JTUMVDLJOWOWED-UHFFFAOYSA-N 441.942 4.575 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCc1ccc(Cl)s1 1540126704 NDHONQVXHCFFIE-GOSISDBHSA-N 428.989 4.932 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCSC(C)(C)C1)C(C)C 1540150987 BIZDBSJSTSZSJV-HXUWFJFHSA-N 433.710 4.897 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cn2ccsc2n1 1540155654 ZTIOUKZSXHEHRN-LJQANCHMSA-N 448.596 4.971 30 10 IJEE C=CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]1CSC 1540919760 VYAPXQNVWCKRNI-SFHVURJKSA-N 427.643 4.601 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 1543566100 YQOGJPSPCXREFM-RTWAWAEBSA-N 443.975 4.826 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@](C)(CO)Cc2ccc(Cl)cc2)s1 1557999927 QVRXIQPKQJKMEO-IBGZPJMESA-N 445.437 4.602 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3)C(=O)OC 1559325417 IYMLRTPFRMZRCI-GOSISDBHSA-N 440.590 4.844 30 10 IJEE N#C[C@@H](C(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1)c1ccccc1 1559381004 AVSDKCCMWGITRJ-JOCHJYFZSA-N 440.528 4.815 30 10 IJEE C=CCN(CCc1ccco1)C(=O)Nc1cc(F)c(Cl)cc1I 1563125684 LUHGDRXYMSVVPT-UHFFFAOYSA-N 448.663 4.939 30 10 IJEE CSc1nc(O)c(C(=O)N2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)cc1C#N 1587849817 XHQQNEVXJHBXEW-FQEVSTJZSA-N 435.471 4.637 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@](C)(O)C1CCCCC1 1588181385 SQEFKCCSZZKUBV-RPLLCQBOSA-N 432.612 4.614 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1589658159 UOSXOLSYURCKNX-IBGZPJMESA-N 431.625 4.985 30 10 IJEE C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1593677581 DGYWINWFSWFNQY-CJNGLKHVSA-N 446.926 4.956 30 10 IJEE C=C(Cn1c(COCC)nnc1N1CCC[C@H](c2nc(CC)cs2)C1)c1ccccc1 1593796475 TVTHYPAVYLZZDP-FQEVSTJZSA-N 437.613 4.931 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1594460685 AHQYKOFQCWGPIW-PMACEKPBSA-N 425.533 4.603 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(C(C)C)CC1 1594484301 PYVDYURDBLIBMN-UHFFFAOYSA-N 447.631 4.654 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1594600460 VZCHGHSPOGIBBR-UHFFFAOYSA-N 439.579 4.669 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccnc(SC)c1)C1CC1 1595034059 VTUACFVWSJHROA-UHFFFAOYSA-N 443.523 4.867 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CSCCS1 1595116916 XMSCVEQMHCHMNP-VQTJNVASSA-N 430.643 4.561 30 10 IJEE C#CCOc1ccc(CNCc2cc(Br)c(OC)c(Br)c2)cc1 1620941897 LMGUNHYMHXCBMH-UHFFFAOYSA-N 439.147 4.522 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)ccc1OC 1620965723 QUHKYBZYWKVUOO-NJDAHSKKSA-N 430.589 4.775 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)c1 1621925988 GFROTYJFRNJFSE-UHFFFAOYSA-N 438.376 4.542 30 10 IJEE COC(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 1623163834 GOEUMIFIRNJVKI-KRWDZBQOSA-N 447.413 4.929 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N2CCC(Cc3nc(CC)cs3)CC2)cc1C#N 1623273742 HYDUSMFNGDUWBK-UHFFFAOYSA-N 441.557 4.632 30 10 IJEE C#C[C@H](NC(=O)Nc1cccc(F)c1I)c1ccc(Cl)cc1 1623401365 CESOIUOXXVETSO-ZDUSSCGKSA-N 428.632 4.580 30 10 IJEE CC(C)(C)c1cc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)n(-c2ccc(C#N)cc2)n1 1624687430 GDNJFSUULURTNB-OAQYLSRUSA-N 447.514 4.786 30 10 IJEE C/C(=C/C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1C(F)(F)F 1628142366 SXQWITOTWSOJOI-LGMDPLHJSA-N 427.470 4.761 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4c(Cl)cc(Cl)cc4C3)n[nH]2)c1C 1630619887 VFDPLVHUDDWALW-UHFFFAOYSA-N 430.339 4.581 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H](C)c3sc(C(C)C)nc3C)n[nH]2)c1C 1633132063 VFFOIQPDSBCUPI-MRXNPFEDSA-N 426.590 4.798 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1 1633529618 WKDRASBCOOQBQV-UHFFFAOYSA-N 430.354 4.732 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCC[C@H](c4cccc(Cl)c4)C3)CC2)c1C#N 1636107485 HZSXMQSEKCTWAP-HKUYNNGSSA-N 444.004 4.535 30 10 IJEE C=CCN(CCC#N)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1636421677 VQUSZLLPCMCWNP-RUZDIDTESA-N 445.563 4.868 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(Cl)c2C)CC1 1637076377 IBMIENINFCTOBG-LJQANCHMSA-N 435.996 4.547 30 10 IJEE C#CC1(F)CN(C(=O)c2ccccc2SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)C1 1644619235 UXQVMPILTNTMOR-CMKODMSKSA-N 431.573 4.580 30 10 IJEE N#Cc1ccc(CCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 1644991125 AYIFMZVTCAIJDZ-UHFFFAOYSA-N 425.576 4.525 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 1652227379 WKZMKFLQAJBCRP-FQEVSTJZSA-N 438.724 4.827 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc(F)c2C)c1 1653371258 SSURFMPZUDCGMI-UHFFFAOYSA-N 426.465 4.698 30 10 IJEE CC(C)Oc1ccc(CC[C@@H](C)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 1659634861 CGLVSOZUPSBXBF-OAHLLOKOSA-N 440.487 4.664 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCC(Oc3ccc(C#N)cc3F)CC2)C1 1659740847 FHYCBXYTBQUGBM-DEOSSOPVSA-N 431.552 4.578 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 1664430156 FFBCFGSRZRAFGT-QHCPKHFHSA-N 443.515 4.918 30 10 IJEE COc1ccc(Cl)cc1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 1667442171 BDPWDJLAMNZMGH-AWEZNQCLSA-N 439.364 4.517 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 1667923704 YXHMGYHOSIQOEP-UHFFFAOYSA-N 427.448 4.982 30 10 IJEE Cc1ccc(C2=NO[C@H](CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)cc1 1668491748 FZSFBNJWPZUANB-QHCPKHFHSA-N 426.476 4.974 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)c1 1669136685 BDQMMGQTFUDQNK-DNQXCXABSA-N 434.584 4.564 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 1669537058 QYMCQGWEMFJGNM-INIZCTEOSA-N 426.488 4.688 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccccc1 1670678386 FFGCPKCJQVZWCF-UWJYYQICSA-N 429.923 4.981 30 10 IJEE COC(=O)COc1ccc(N(C)C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)cc1 1671955071 HTJIGPUUZNIECI-UHFFFAOYSA-N 447.516 4.930 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1 1673093341 SOHJORXLCOVSKR-UHFFFAOYSA-N 443.290 4.909 30 10 IJEE C#C[C@@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C)c1ccc(Cl)cc1 1674020411 KCGXRCTWVROFLY-YLJYHZDGSA-N 445.991 4.835 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCc4c(F)cc(Br)cc4C3)cc2n1 1675012932 LTWBIMJAUWMZKD-UHFFFAOYSA-N 429.293 4.714 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 1679560988 UUHVBMOPBRLYOZ-RLLQIKCJSA-N 437.506 4.631 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)c1ccc(F)c(F)c1 1686174145 YHJWYSGNIBTSQV-PMACEKPBSA-N 432.421 4.683 30 10 IJEE N#Cc1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1Cl 1686255166 FFGLBVKIBUBHEH-UHFFFAOYSA-N 425.916 4.985 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CCCC(F)(F)F 1690064094 ZTGBHYBRNQFMMZ-UHFFFAOYSA-N 445.283 4.518 30 10 IJEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1CC1CCC(C(F)(F)F)CC1 1690105967 GGRPRRMJWJECBP-UHFFFAOYSA-N 448.533 4.518 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCSC2)C1 1690157274 CCTSVRTVWXFIHS-NZQKXSOJSA-N 426.655 4.520 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)CCC 1690157294 CSMGJTUZQUPGPJ-INIZCTEOSA-N 435.435 4.946 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](C1CC1)N(C)C 1690200206 OOTQAQFOVAJSPM-RPLLCQBOSA-N 449.643 4.702 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(c2cccc(OC)c2)CC1 1690247445 AZDVJTXCVAAUDD-RCZVLFRGSA-N 438.616 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1C[C@H](c1ccccc1Cl)N(C)C 1690264604 XZKAJODSWQYRGV-NHCUHLMSSA-N 432.012 4.878 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1Cc1csc([C@H](C)OC)n1 1690267012 QLXIQOPSCWKBOD-SFHVURJKSA-N 425.602 4.792 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)[C@@H](C)C1 1690319068 BWTNXPZDMVGLNG-IYBDPMFKSA-N 439.387 4.849 30 10 IJEE C=C(Cn1c(N2CC[C@@H](CC(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1690325560 AUQNKQDBUSRDEL-NVQXNPDNSA-N 438.616 4.905 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2oc(CCC)nc2C)CC1 1690362638 KHKWPHTYYNECHV-UHFFFAOYSA-N 448.571 4.601 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690422769 ZTGOGMCFLZTYIX-CRAIPNDOSA-N 433.478 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690424206 HIGWGXFMXGVVFQ-HTAPYJJXSA-N 440.588 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1690435240 WAOHHQQBFKFQBX-OFNKIYASSA-N 431.584 4.833 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690451352 DRCLKWGHKZYWFW-GGAORHGYSA-N 448.615 4.568 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1690467232 PNQARFCAKWGGIC-UHFFFAOYSA-N 446.624 4.875 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1Cc1cccc(NC(=O)C2CCCC2)c1 1690590462 ZWZQXUFKMSHLHE-UHFFFAOYSA-N 444.583 4.639 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N(C)C[C@@H]2CC=CCC2)cc1 1690680658 XQYYSBWPDNQPAX-OAQYLSRUSA-N 429.568 4.670 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2csc(C(C)(C)C)n2)C1 1690690104 RHVIOPOECPSSHT-GOSISDBHSA-N 441.601 4.625 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 1690742571 UTDYZHNCNJRVHO-QGZVFWFLSA-N 447.599 4.626 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN1C1CCCCC1 1692659742 AAMJVDVNXURZSN-QPPBQGQZSA-N 434.632 4.599 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N(CC(C)C)C(C)C)c(C)o1 1692957713 CFPAZTBFULYPSI-RUZDIDTESA-N 435.572 4.805 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1Cc1cscc1C(F)(F)F 1705503015 MYAFIPSAURPWFJ-OAHLLOKOSA-N 434.487 4.752 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccccc21 1705521563 FLIOQNWNDDTBKL-NRFANRHFSA-N 435.572 4.848 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccc(Oc2ccccc2)nc1 1705596322 AUNPQRGKUBPSDF-UHFFFAOYSA-N 425.536 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CC)CC1CCC1 1705697133 KKIZTIAKCUACNG-LPHOPBHVSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC1CC1 1705698346 SISWGHJLOGGCJU-HNAYVOBHSA-N 449.368 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(CCC)Cc1ccc(F)cc1C 1705699429 GUUASYBTBBQFFL-XPNTWCBSSA-N 442.579 4.627 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N(C)CC1CCCCC1 1705710389 XNVRBXCSTASDIT-HYBUGGRVSA-N 442.579 4.994 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(CCCCO)C1CC1 1705722539 RQOMNIYWVZEPNW-UHFFFAOYSA-N 439.785 4.678 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1705801188 WTSDFVLKUMTKSX-UHFFFAOYSA-N 437.588 4.678 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1c(CC)nn(C)c1CC 1705834553 NFTNRTBNWFTOSB-MRXNPFEDSA-N 442.995 4.600 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705838594 UUOSJMKKBPKSPH-OAHLLOKOSA-N 437.947 4.663 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)C)n1C[C@](C)(O)c1cccs1 1705856109 GDZDTWOYRNLLPG-QHCPKHFHSA-N 426.586 4.572 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](N2CCCCC2)C1 1705887150 QJMVZIGOLBHPBE-CTNGQTDRSA-N 444.023 4.939 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1705887412 FRJIHSPLZOVILX-GOEBONIOSA-N 445.386 4.922 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)c2cccs2)C1 1705919143 YFBMRWGKDNNSIO-KRWDZBQOSA-N 426.561 4.905 30 10 IJEE COC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C#N)cc2)CCC(C)CC1 1711626637 COBYRYDPMRGOHU-WQNVSQMQSA-N 437.588 4.623 30 10 IJEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1722318019 ALOSCQDDQMBJHN-OAQYLSRUSA-N 425.533 4.646 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCC[C@H]1OC 1722466975 JLYMMJWYCUMRGT-HVDAFXPBSA-N 442.991 4.879 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1722488704 CDRSYFGPIHYKJL-GDBMZVCRSA-N 437.357 4.920 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 1722507364 ICAGFYMTEHMGRI-REIYTJMXSA-N 446.542 4.977 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1cccs1)C(C)C 1722510572 SQOSAHUOKOJPTJ-REWPJTCUSA-N 437.613 4.722 30 10 IJEE C=C(C)Cn1c(N(Cc2cccs2)Cc2cccs2)nnc1[C@]1(OCC)CCOC1 1722554187 YKWAZHSIRHBPJA-QFIPXVFZSA-N 444.626 4.836 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCc2nc(C(C)(C)C)cs2)CC1 1722582969 NEWKCQZWBIKUML-UHFFFAOYSA-N 436.629 4.663 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722600294 MQYORIYZKPVYPI-UHFFFAOYSA-N 447.974 4.548 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722617995 CFOIJQASUYIDCV-QFIPXVFZSA-N 427.662 4.845 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)OC 1722662373 WRVIOEYZMANXBL-UHFFFAOYSA-N 427.530 4.532 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCC(C)CC1 1722676619 FSXOSNRNYJZXSQ-JOCHJYFZSA-N 448.615 4.597 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCC2)nc1 1722689901 ISEATUNMQWRKDA-UHFFFAOYSA-N 444.627 4.854 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2sccc2C)C1 1722717144 FDGGFBCILWRQHU-MRXNPFEDSA-N 432.952 4.937 30 10 IJEE CCCC(O)(CCC)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1727960314 AXKNCTWQWGOSAR-RUZDIDTESA-N 446.599 4.955 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCSC1(C)C 1740659155 KJZXHPYRXGJFBC-HXUWFJFHSA-N 438.666 4.873 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1C[C@]1(C)CCCS1 1740727687 VLOGFUYTEUBQBJ-RTWAWAEBSA-N 445.430 4.985 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1740813425 GNGWEBAWBHQBAU-KRWDZBQOSA-N 434.878 4.747 30 10 IJEE C=CCCCCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CC1 1740857902 YFNINNFHOMHACR-UHFFFAOYSA-N 431.625 4.985 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCSCC1 1740866304 ZRSMSWHBIKCXNC-UHFFFAOYSA-N 437.407 4.529 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCO[C@H](C)c1ccccc1 1740893317 FUIRHFLJZIKIBL-MRXNPFEDSA-N 444.377 4.826 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ncc(CC)s1)C1CC1 1740905735 GLTHQONXAJTLLI-OAHLLOKOSA-N 427.549 4.779 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1740933163 JBYVRKAPRJDUCQ-NRFANRHFSA-N 448.514 4.559 30 10 IJEE C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 1740950154 RRCGPRWDLOGOED-UHFFFAOYSA-N 432.037 4.865 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC2CCCC2)C1 1740977055 CEVUBWDVGCTLGI-QGZVFWFLSA-N 431.378 4.679 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC2(CCCCC2)O1 1741805863 GLOQJBMGWBEHOI-PLACYPQZSA-N 443.636 4.817 30 10 IJEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccsc2)ccc1OC(C)C 1748513980 DCJBQHWOEDQWOV-MRXNPFEDSA-N 425.558 4.589 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1N(C)CCCC1(C)C 1748650670 BOKJBQIMGORJOT-FGSXEWAUSA-N 439.673 4.710 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCN1CC 1748652286 YYBGCGUCTGHCJF-UYAOXDASSA-N 425.646 4.608 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCCCC(F)(F)C1 1748687071 BEECCVUTDGEETC-RTBURBONSA-N 446.542 4.929 30 10 IJEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1748757868 NCWOPBJRIWXUSU-NRFANRHFSA-N 449.624 4.770 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCCC(F)(F)C1 1748894690 AUGAFHICNVMIAT-IBGZPJMESA-N 428.502 4.687 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C2CCC1(C)CC2 1749092323 SHVIPIGTUCXYJR-UHFFFAOYSA-N 447.377 4.782 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOCc1ccccc1 1749131421 RWTVHAWKKVAXJN-FYYLOGMGSA-N 426.605 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1749147043 WYCLOHONIVVELY-UNMCSNQZSA-N 426.605 4.697 30 10 IJEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1749271910 FGEMJRCQHZHPEZ-GOSISDBHSA-N 443.020 4.980 30 10 IJEE C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCC(C)CC1 1749578590 CSAPPSNBBYEXDT-QFIPXVFZSA-N 432.616 4.580 30 10 IJEE C=CCn1c(CCOc2ccccc2)nnc1N(C)Cc1csc(Br)c1 1749638025 TYQSAGSXVVOYLX-UHFFFAOYSA-N 433.375 4.546 30 10 IJEE C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1cccnc1 1751087355 HEFAJIZCXFGEQT-SFHVURJKSA-N 444.564 4.625 30 10 IJEE C#CCCCCn1c(N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)nnc1C(C)(C)C 1760142616 HLWSFBDZUZRQSZ-YOFSQIOKSA-N 443.636 4.746 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1760148587 GJBMALZJIIZRDF-NRFANRHFSA-N 435.959 4.547 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)CCC(C)C 1760228583 KURGYSPAPKZCFF-QFIPXVFZSA-N 447.421 4.663 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCO[C@@H]1CCCC[C@@H]1C 1760240772 BPHKWMKMNRFOSY-WMZHIEFXSA-N 435.547 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccccc1)N(CC)CC 1760292932 LADGSERIORGMJY-SHQCIBLASA-N 442.611 4.724 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nc(C(C)(C)C)cs2)CC1 1760384911 IWQRRGYUQRSXRI-UHFFFAOYSA-N 432.597 4.970 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)CC)C1)c1ccccc1 1760418408 RVNADAPYXSLWTB-YADHBBJMSA-N 447.583 4.701 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1760444181 ZLXQYNMDYWNLAP-WOJBJXKFSA-N 449.020 4.574 30 10 IJEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1ccc(C)cc1 1760462434 BAHMAZGXSKRFPW-UHFFFAOYSA-N 439.604 4.566 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CSCCS1)C1CC1 1760475671 PXFJVDPUJNRFBQ-IBGZPJMESA-N 432.684 4.882 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC[C@H]1CCO[C@@H](C)C1 1760478678 OVRPXGJRZSMCLZ-SXWKCWPCSA-N 440.588 4.536 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCCOC(F)(F)F 1760486038 AXVZKRBAPHYVGB-MRXNPFEDSA-N 430.496 4.700 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCC[C@H](C)C1 1760490570 AMDURKMFSLGOAQ-FQEVSTJZSA-N 430.600 4.712 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1C[C@@H](C)CC[C@H]1C 1760516163 WPEYKEQYIVEWJF-LSDHHAIUSA-N 444.004 4.740 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCC(OC(C)(C)C)CC1 1760567383 YPLZHYIVAPREBK-UHFFFAOYSA-N 428.646 4.880 30 10 IJEE COc1ccc(CCn2c(O)c(N=Nc3ccccc3C)c(C)c(C#N)c2=O)cc1OC 1772740411 ABGZACRLYKUUBW-UHFFFAOYSA-N 432.480 4.718 30 10 IJEE COc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)c(Cl)cc3OC)nc2c1 1858204792 RISYXMZCYRPNTQ-UHFFFAOYSA-N 427.913 4.816 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)Cc3cnccc3-c3csc(S)n3)c2C#N)C1 1860812380 CEPFBMHSKDPALF-NSHDSACASA-N 426.592 4.733 30 10 IJEE CCCCCCCCNC(=O)[C@](C)(CC)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861168517 KSKDYDHSQIZZRW-SANMLTNESA-N 447.639 4.799 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CCSC)NC(=O)CCOc1ccccc1 1861779728 ARTDMQFFXWOAHD-QFIPXVFZSA-N 436.662 4.950 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)cc1 1862430881 UXQSOGGVBJBFQL-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2C2CCCC2)cc1 1862434984 LMGJLPSKBNDJSO-FQEVSTJZSA-N 439.895 4.648 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccc(O)cc2)c1 1862490272 ROPFSROZPRKKNU-DEOSSOPVSA-N 445.490 4.969 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(F)c2)cc1 1862529059 BLROIXORJOWHQS-QFIPXVFZSA-N 425.500 4.782 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862535496 DIHNFLQZCHBZHT-NRFANRHFSA-N 427.928 4.906 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2Cc2cccs2)cc1 1862704312 XHLUWILMRMMLGI-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2cccc3c(O)cccc23)=C(c2ccccc2F)C1=O 1862934420 RRJSASUJYKBCGU-UHFFFAOYSA-N 449.441 4.953 30 10 IJEE CCCCCCCCCCN1C(=O)C(NC(C)C)=C(c2ccc(OC)c(OC)c2)C1=O 1863520330 MJFJMRVFSMHPII-UHFFFAOYSA-N 430.589 4.922 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2Cl)cc1 1867404378 GSANDHSRJUCFTH-XZOQPEGZSA-N 449.913 4.510 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3cccc(OC)c3)CC2)nc(-c2ccccc2)n1 1867972003 KHHGDGBHTIQWBE-UHFFFAOYSA-N 441.579 4.657 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1 1868959534 WUISASGUYFJULN-ZJSXRUAMSA-N 440.534 4.972 30 10 IJEE CCCCCCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CSCCO 1870190745 VISBQXUURFYOEG-UHFFFAOYSA-N 448.585 4.922 30 10 IJEE C=CCn1cc(OCCCOc2ccc(CC)cc2)c(=O)cc1CSc1ncccn1 1870267329 AAUYJCRLIYRZPY-UHFFFAOYSA-N 437.565 4.527 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2c(C)cc(C)cc2C)cn1CCCCCO 1870379999 TXRQXTRKMFCLAO-UHFFFAOYSA-N 438.612 4.689 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc3ccccc3c2)c(=O)cc1CN(CCC)CCC 1870396089 ZJVMTCXIJOLFOD-UHFFFAOYSA-N 447.579 4.827 30 10 IJEE CCCCCCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCN(C)CC1 1870614365 IZRCRECZIHHIHO-UHFFFAOYSA-N 443.607 4.674 30 10 IJEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CNc1ccccc1C(C)C 1870924368 GHFFBEUBYXSKIH-UHFFFAOYSA-N 437.584 4.598 30 10 IJEE Cc1cc(OC(=O)c2cnccn2)cc2c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 1871370160 SFSVJEDMLIYTNI-LSCVHKIXSA-N 427.243 4.927 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1872138226 PWQSODTYOWGWHV-DEOSSOPVSA-N 434.561 4.942 30 10 IJEE C=C(C)CN([C@H](CCSC)C(=O)Nc1cccc(C(C)(C)C)c1)S(=O)(=O)CCC 1872218605 OZCYOMQPFKMKIG-HXUWFJFHSA-N 440.675 4.662 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872489581 UQMYHACMVULDQV-SFHVURJKSA-N 434.989 4.859 30 10 IJEE COc1ccccc1CCc1nnc(SC)n1/N=C/c1cc(Br)ccc1F 1874311141 CQFJOWHAZJKSBY-WSDLNYQXSA-N 449.349 4.578 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(C)c(C)c2)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874320403 PNYGHXYZJRNNRB-FSJBWODESA-N 437.525 4.933 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccccc1OC(C)C 1874441063 GXSTXRJMYOEDRO-OEAKJJBVSA-N 432.590 4.581 30 10 IJEE CCCCOc1c(Br)cc(/C=N/n2c(SC)nnc2C(C)C)cc1OC 1874509815 WNHCORJKSIYULV-RGVLZGJSSA-N 441.395 4.956 30 10 IJEE O=C(Oc1cccc(/C=N/n2c(S)nnc2Cc2ccc(Cl)cc2)c1)c1ccco1 1874564719 PYJVSGVDNLZILF-YDZHTSKRSA-N 438.896 4.505 30 10 IJEE COC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2C)cc1OC 1874617484 DTNQGQORKLROJV-SOFGYWHQSA-N 433.298 4.522 30 10 IJEE C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2c(NCc3ccc(F)cc3)ncnc21 1875227993 UQUCIKZUJWRUKM-UHFFFAOYSA-N 429.499 4.641 30 10 IJEE Cc1cc(C)c(CNC(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)c(C)c1 1890489220 PBKQBUSAVMQIMG-UHFFFAOYSA-N 434.565 4.733 30 10 IJEE N#Cc1cccnc1OCC1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)CC1 1891514401 KXSJOSVYAGDHLZ-UHFFFAOYSA-N 431.467 4.816 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H]2NC(=O)OC(C)(C)C)c1 1943913992 XYXITSQAIUQUDX-JPYJTQIMSA-N 431.533 4.776 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3ccccc3)[C@H]2C1 1944417241 BWXSUQBDQZBFKE-KDLAUNOPSA-N 427.545 4.967 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNc2cc(Cl)ccc2C#N)C1 2025249806 RPQFRFBLSQIPLK-OAQYLSRUSA-N 440.975 4.745 30 10 IJEE C=CCC1(NC(=O)c2cscc2Br)CCN(C(=O)OC(C)(C)C)CC1 2054383886 VLIRHJAFFUEDDL-UHFFFAOYSA-N 429.380 4.586 30 10 IJEE Cc1nn(-c2ccccc2)c2c1C(=O)/C(=C/N=c1[nH]c3ccccc3[nH]1)[C@@H](c1ccccc1)C2 2080385339 AZNROBHRTNPXAS-KXZIGNATSA-N 445.526 4.998 30 10 IJEE Fc1c(F)c(F)c(-c2c(C(F)F)nn3c(Cl)c4c(nc23)CCOC4)c(F)c1F 2081373525 QSDRVJDPPILTJA-UHFFFAOYSA-N 425.691 4.756 30 10 IJEE C[C@H]1C[C@H](CNc2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2115833131 QSKQPXJPOHZCAP-QWHCGFSZSA-N 426.330 4.907 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c2nsnc12 2137388857 CRIDPRFSNCQNPH-ZIAGYGMSSA-N 441.395 4.574 30 10 IJEE CN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccc(C#N)c(Br)c1F 2174817913 UNJNTDGSJHYANM-UHFFFAOYSA-N 435.297 4.838 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181103332 NFVDPORUCOQSNB-IOASZLSFSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCC(=O)Nc2ccc(C#N)cc2Br)C1 2203256012 SPHHUEKDVODHNJ-ZFWWWQNUSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@@]1(C(=O)C#Cc1ccccc1Br)C2 2235726950 PVYRYBVOFGBIEQ-UTAOTPEMSA-N 430.342 4.548 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 2235729674 UEYOASLXXANPKO-XQBPLPMBSA-N 433.390 4.568 30 10 IJEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2cccc(NC(=O)OC(C)(C)C)c2C)C1 2255152772 FGNSUIPHKNDOAP-UHFFFAOYSA-N 443.544 4.587 30 10 IJEE CC1(C)OB(c2cc(NCc3cc(Cl)cc(Br)c3)ccc2N)OC1(C)C 2283004910 BPUAJXSGSFSIKC-UHFFFAOYSA-N 437.574 4.596 30 10 IJEE Cc1sc(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)c(Br)c1C 2283008627 WRMCYRBZNUHDQH-UHFFFAOYSA-N 437.212 4.621 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncc(Br)cc2C#N)C(F)(F)CC1 2284577097 ANTWUOWBZKPPEC-CQSZACIVSA-N 445.308 4.553 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2296219538 PIDPRPWORZVJDB-ILZDJORESA-N 435.406 4.672 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 2296222123 PDGDNUJMMYHYSG-OALUTQOASA-N 435.406 4.814 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@](C)(CNC(=O)OC(C)(C)C)C(F)F 2296230457 UCGLCISZIQIQCW-OXQOHEQNSA-N 445.348 4.575 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@H](NC(=O)OC(C)(C)C)C(F)F 2296280257 YIIALGGSLPQARU-SJORKVTESA-N 445.348 4.717 30 10 IJEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2301432955 CJDKQFLDPVATQR-FCJDFRRUSA-N 428.617 4.903 30 10 IJEE CC(C)(C)OC(=O)N(CCC[C@@H](N)C#Cc1ccc(C(F)F)nc1)Cc1ccccc1 2301933175 OKDXDROZHAEWFL-HXUWFJFHSA-N 429.511 4.916 30 10 IJEE CC#CCN(C[C@@H](NC)c1ccc(Br)c(Cl)c1F)C(=O)OC(C)(C)C 2316112074 KJCZJEFVDHUGPL-CQSZACIVSA-N 433.749 4.763 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2N=Cc2ccccc2OC(C)C)c1 2321070504 RMAAMILMDKGKAF-UHFFFAOYSA-N 437.569 4.604 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2C2CCC2)c1OCc1ccccc1Cl 2321901646 ATDFXUPLYSLOGY-UHFFFAOYSA-N 428.945 4.958 30 10 IJEE C[C@H](c1ccccc1)N1COc2ccc3c(c2C1)OC(=Cc1ccc2c(c1)OCO2)C3=O 2322092488 WGDIAEAUSNSQNV-MRXNPFEDSA-N 427.456 4.945 30 10 IJEE COc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(CCOc2ccccc2)C3)C1=O 2322339363 ZEFDIWDZMJEATC-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)OC(=Cc2c(F)cccc2Cl)C3=O)C1 2322401814 XIZWZRODLPYGBY-UHFFFAOYSA-N 444.934 4.897 30 10 IJEE COC(=O)COc1ccc(Br)cc1C=CC(=O)c1cc(Cl)ccc1OC 2323022371 QFZVKPQZJIJEOV-UHFFFAOYSA-N 439.689 4.559 30 10 IJEE COc1cc(C=C2Oc3cc(OC(=O)C=Cc4ccco4)ccc3C2=O)cc(OC)c1OC 2323157618 ALRQIDUNAZTSEE-UHFFFAOYSA-N 448.427 4.540 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c(OC)c1 2323768096 KHALWEBVGWVPMX-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OCC(=O)Nc1cccc(C)c1 2323808640 FIZDIRAIBCFWON-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1ccccc1F 2325485767 JUOAWDDSFNRMBP-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COc3ccccc3OC)c2)cc1 2325718403 UQBIGNLLLLORRM-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(OCC(C)C)cc1 2326821048 GDTUAOKTTBPARQ-UHFFFAOYSA-N 439.541 4.958 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1ccc(C)o1 2326878961 JIWCWYVZPLRDGZ-UHFFFAOYSA-N 430.530 4.855 30 10 IJEE CCCOc1ccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)Nc3cccc(Cl)c3)CCN2)cc1 2328082166 LRQNDWIMESVRFR-RBBKRZOGSA-N 441.959 4.653 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(Br)c1OC(C)=O 2330874636 LRQCOVJPOPSOHW-UHFFFAOYSA-N 433.298 4.986 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(=O)c1ccco1 2331431294 LNCLRKYEZCGPRF-UHFFFAOYSA-N 426.808 4.786 30 10 IJEE CCc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 2331473276 WLHFRRMUXMONBX-IBGZPJMESA-N 449.624 4.891 30 10 IJEE CC#CCN(C[C@@H](Cc1cc(Br)ccc1Cl)NCC)C(=O)OC(C)(C)C 2337911558 VJUPMFJQRMQJHN-QGZVFWFLSA-N 443.813 4.884 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C12CC2 2339586173 APDCKKWQQVUXNX-MDNBWPLSSA-N 441.381 4.680 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C 2360196631 UKSGDZMXMLJDLO-VDGAXYAQSA-N 435.406 4.814 30 10 IJEE C=CCC1(NCc2ccc(C)c(Br)c2O)CCN(C(=O)OC(C)(C)C)CC1 2381127063 DWCGWFNGKWXCIL-UHFFFAOYSA-N 439.394 4.899 30 10 IJEE CCCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC)c(OC)c1)C2 20882484 OMSUWIPWJOLKIM-ICSRJNTNSA-N 449.547 4.887 30 10 IJEE COc1cc(/C=N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)cc(OC)c1 32694182 YXESWTHQLXDHCY-QKZPNKSWSA-N 431.536 4.572 30 10 IJEE O=C1/C(=C/c2ccccc2F)Oc2c1ccc(O)c2CN1CCN(c2ccccc2F)CC1 41585424 KCWBARJYXZOCGY-IWIPYMOSSA-N 448.469 4.609 30 10 IJEE C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1cccc(C)c1 101189305 QYLBPBYJCJZAJS-UHFFFAOYSA-N 448.592 4.961 30 10 IJEE COc1ccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2Cc2cccs2)cc1 169921457 VSRKPFNVEKYROU-HSZRJFAPSA-N 433.529 4.854 30 10 IJEE CCCN1C(=S)N[C@H](c2ccc(OCC)c([N+](=O)[O-])c2)C(C(=O)c2ccccc2)=C1C 169928830 CIKPFQXYFKPPJO-OAQYLSRUSA-N 439.537 4.792 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccccc3OC)=C(O)C(=O)N2c2cccc(C)c2)c1 169930405 XOMDPZAQGWEZSJ-HSZRJFAPSA-N 429.472 4.795 30 10 IJEE CCOc1cc(/C=N\Nc2nc(-c3ccc(OC)cc3)cs2)cc([N+](=O)[O-])c1OCC 169940967 QFRBCUWGYAIOAY-UUYOSTAYSA-N 442.497 4.970 30 10 IJEE Cc1ccc(O)c(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(O)cc2)c1 169962511 MDBGBTXNFINDAY-HSZRJFAPSA-N 441.439 4.935 30 10 IJEE Cc1ccc2[nH]c(N3C(=O)C(O)=C(C(=O)c4c[nH]c5ccccc45)[C@H]3c3ccccn3)nc2c1 169999853 VERLQVXOCLGPRH-JOCHJYFZSA-N 449.470 4.531 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1 170001274 BRODJQVBSYWOJT-NRFANRHFSA-N 433.895 4.584 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2ccco2)cc1 170031312 DSOPBBATQRGIHN-JOCHJYFZSA-N 435.451 4.904 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)c1 170092577 QDSTZNGSWBJQHZ-IBGZPJMESA-N 427.815 4.864 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)CCCC2 170134341 TTWRJILCTKLMHA-QHCPKHFHSA-N 429.472 4.643 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2)cc1OC 170221705 YMPJBUCDKDLKKS-OAQYLSRUSA-N 435.501 4.544 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@H]2c2ccccc2)c(C)c1 170227660 YJYCZLZWWHNIGR-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccccc1F)c1ccc2c(c1)CCCC2 170251321 BOTIJPMNZNGPOI-XMMPIXPASA-N 442.490 4.878 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccco1 170284380 RSYFUPYXYJEYKZ-FQEVSTJZSA-N 437.835 4.753 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@@H]2c2ccc(C)o2)cc1 170297767 PGMXLRCJZFTNSF-JOCHJYFZSA-N 433.460 4.778 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2ccc3c(c2)CCCC3)=C(O)C(=O)N1C[C@@H]1CCCO1 170315843 PFMXTKQNYFUOOI-PZJWPPBQSA-N 437.561 4.693 30 10 IJEE O=C1N/C(=N\N=Cc2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1ccc(F)cc1 252511229 FGQHVSFPXJJRPM-LJQANCHMSA-N 427.888 4.903 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 303164807 VSMHMZRRQJSRPC-QFIPXVFZSA-N 447.457 4.564 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(Oc2cnccn2)CC1)c1ccc(C(F)(F)F)cc1 425928572 YOKRRCNUKLOETH-IBGZPJMESA-N 434.462 4.756 30 10 IJEE O=C(Nc1cncc(F)c1)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 439618613 ZFASRCNMBBCLDF-OAHLLOKOSA-N 437.315 4.864 30 10 IJEE C=CCn1c(SCC(=O)NCCc2cc(F)ccc2F)nnc1-c1ccc(Cl)cc1 473546870 HGYBOPIUTDPMDB-UHFFFAOYSA-N 448.926 4.514 30 10 IJEE CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@@H](CC#N)c1ccccc1 475641256 FQNAQLHDXPWFNR-GOSISDBHSA-N 431.458 4.968 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(SCc2ccccc2)ns1 476498288 BSTIXWRYGUPZDC-UHFFFAOYSA-N 441.538 4.959 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCc2nnc3ccccn23)cc1Cl 489516763 QZGHVMKCIHUIMY-FQEVSTJZSA-N 444.926 4.792 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C(=O)NC1CCCC1)C(C)C 489619922 BLACMNYFAJQCRD-NRFANRHFSA-N 428.602 4.527 30 10 IJEE COc1cc(Br)cc(OC)c1OCc1cc(C#N)ccc1Br 492353951 DJGQAYABXYRUOI-UHFFFAOYSA-N 427.092 4.679 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 549264997 YPMAGPHXSRFLKY-HOTGVXAUSA-N 449.368 4.676 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@@]2(CCCOC2)C1 549685187 FXDGRUQLHKZMRF-RUZDIDTESA-N 440.588 4.714 30 10 IJEE CCOc1ccc(/C=C/C(=O)N[C@H]2CCNC[C@H]2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 585837018 PPNUKXUHGADWAI-JWLPWNMKSA-N 446.591 4.599 30 10 IJEE CC(C)Oc1cccc(/C=C/C(=O)OC2CCC(NC(=O)c3cccc(C#N)c3)CC2)c1 586510791 PRJAIPDTGXFLSI-NTEUORMPSA-N 432.520 4.643 30 10 IJEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CC1 615071698 HXFLKNSBRVVFTB-ITAUSPCMSA-N 443.551 4.714 30 10 IJEE C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N(Cc1ccccc1)C(C)C 642252614 JYDWLEUERLMNKY-HXUWFJFHSA-N 434.609 4.973 30 10 IJEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCC2CCCC2)CC1 670229849 ACZNXTDZLHEZQC-HSZRJFAPSA-N 438.572 4.542 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)ccc1OC 700617120 VGZGIMUPTGWYTQ-QGZVFWFLSA-N 440.382 4.601 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)c1 728181650 UQGHTZZVEKPVGT-XMMPIXPASA-N 432.545 4.539 30 10 IJEE N#CCCN(C(=O)CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccccc1 739748549 CAKIVDPTROPWLW-UHFFFAOYSA-N 442.544 4.630 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 789891034 UGHHJAZQLVSPNR-IHWFROFDSA-N 440.584 4.939 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1)c1ccc(F)cc1 812875623 VMKKQULIFPAAQA-VGSWGCGISA-N 433.483 4.543 30 10 IJEE COc1ccccc1C/N=C(/Nc1cc(-c2ccccc2)ccc1O)N1C[C@H](C)N[C@H](C)C1 1088684420 VKLLRCCIEMNASF-BGYRXZFFSA-N 444.579 4.718 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCc2ccccc2)C1 1122016682 YUWGDXFGQVBIFC-QFIPXVFZSA-N 425.536 4.517 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)c1 1125712381 GZIYULFMYAMJFY-UHFFFAOYSA-N 434.521 4.713 30 10 IJEE C#CCOc1cccc(OC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c1 1125908794 HGGJLJNEXIPJBD-UHFFFAOYSA-N 437.561 4.801 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 1128431443 BSXJAKHFQUOQOA-OXJNMPFZSA-N 429.973 4.819 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)C(F)(F)F)cc1 1128865818 CTORQSYGYICGDJ-OAQYLSRUSA-N 428.385 4.942 30 10 IJEE C#Cc1ccc([C@H](OC(=O)/C=C\c2ccc(I)o2)C(F)(F)F)cc1 1128866557 MNRBSGPCNGLHKR-YHWKNFMLSA-N 446.162 4.726 30 10 IJEE C=CC(C)(C)CNC(=O)c1sc2c(c1Br)CN(C(=O)OC(C)(C)C)C2 1128973601 HDECRJAVXAKGBP-UHFFFAOYSA-N 429.380 4.703 30 10 IJEE C#C[C@@H](NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2)c1ccc(Br)cc1 1129609597 XVEQFEHDVQRXMK-OAQYLSRUSA-N 448.364 4.926 30 10 IJEE C#C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1129616854 XDUZDTFYSKNVMD-CTNGQTDRSA-N 438.852 4.724 30 10 IJEE C=CCc1cc(C(=O)N2[C@H](CNC(=O)OC(C)(C)C)CC[C@@H](C)[C@@H]2C)cc(OC)c1OC 1131578136 YRVBIAGQXSBXPC-UWVAXJGDSA-N 446.588 4.586 30 10 IJEE C=C1CCC(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 1133314265 HCYSVZCMHBHNEY-UHFFFAOYSA-N 425.451 4.693 30 10 IJEE C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)c2N1 1137551331 FNFJHWPIQWPNOY-BIGNPOOSSA-N 438.347 4.753 30 10 IJEE C#CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 1150711384 MYEALKYSYFALLD-UHFFFAOYSA-N 432.545 4.688 30 10 IJEE C=CCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1161163341 DTIMLWMQAOOMDV-UHFFFAOYSA-N 427.353 4.751 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CCc2ccccc2C)[nH]n1 1164006293 XYHDCQRYXLLOJC-HXUWFJFHSA-N 426.561 4.691 30 10 IJEE C=CCn1c(SCc2csc(C(=O)OC)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 1164428123 CAZSYJXFMNWKEA-LBPRGKRZSA-N 446.619 4.909 30 10 IJEE N#Cc1cccc(OC2CCN(Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)c1 1180249127 DJOIWVFUDOYDEO-UHFFFAOYSA-N 437.341 4.754 30 10 IJEE CC(C)(C)CCN(CCc1ccccc1)S(=O)(=O)c1cc(Br)ccc1C#N 1194075585 GJFISTKJBFMMRD-UHFFFAOYSA-N 449.414 4.990 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(Br)s2)c1 1209117599 PLYWQMBWVPCGJB-UHFFFAOYSA-N 438.393 4.949 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)NCC1(c2ccccc2Br)CCC1 1214885519 BWBQCAHSRCPQQM-UHFFFAOYSA-N 428.330 4.963 30 10 IJEE COc1ccc(NC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)cc1C#N 1219840582 FSQKEDDQHXAVMY-UHFFFAOYSA-N 441.491 4.801 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN(C(C)C)C(C)C 1286365803 JRMYBFINEBNDFU-IBGZPJMESA-N 427.662 4.710 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C2CCC1(C)CC2 1286630207 VSRRCIZJVXIJQQ-YPHUNTSASA-N 436.000 4.666 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H]2OCCC2(C)C)CC1 1286637871 ODLZNPKASMREBK-DENIHFKCSA-N 440.588 4.788 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCCCCC2=O)CC1 1286654523 GRLBMHYZODZOAB-UHFFFAOYSA-N 435.616 4.703 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(CC)(CC)SC)CC1 1286656841 QANBYXSKKYQTFN-HSZRJFAPSA-N 436.666 4.643 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286694874 IZKZQECUFFQGNA-RTBURBONSA-N 428.577 4.787 30 10 IJEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1C[C@H](C)CC(C)(C)C1 1286701589 ZATBKSDIGPWQFM-LJQANCHMSA-N 448.615 4.904 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CCC[C@H]1C 1286753020 QWUZHKMVUKHZCE-MRXNPFEDSA-N 448.384 4.509 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC(c2cnn(CC)c2)CC1 1286799218 RCKIGTVQJFJXDS-UHFFFAOYSA-N 448.615 4.690 30 10 IJEE C=CCSCCn1c(N2CCC[C@@H](OCC)C2)nnc1C1(c2ccccc2)CCC1 1286836814 QSNIHTCPXLYABD-OAQYLSRUSA-N 426.630 4.673 30 10 IJEE C#CCCCCNC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1294993354 PYBBAWYRTXXJSF-VWLOTQADSA-N 432.564 4.860 30 10 IJEE N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(Br)cc(Br)c2)c1 1296943940 BJDOBCNDOMOTCB-UHFFFAOYSA-N 435.119 4.910 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C1CCCCC1)N(C)C 1300277283 YZYQVAKVQJNURE-DYESRHJHSA-N 445.558 4.515 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 1300407927 FTQGISTZVUASNH-HXUWFJFHSA-N 432.490 4.946 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1CCOCC1 1300565889 YEVKFSTVSAQCSM-UHFFFAOYSA-N 448.567 4.702 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cnn(CC)c1 1300901783 SQVAIJWWVALOPK-UHFFFAOYSA-N 447.356 4.514 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCNC(=O)C(C)C)CC1 1301071156 YHCOZKCRHZICGN-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2c(C)noc2C)CC1 1301072828 SMMWARMFVTXEPL-UHFFFAOYSA-N 448.390 4.773 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CC=CCO2)CC1 1301072980 UNOJAEXYMOEBNP-SFHVURJKSA-N 429.362 4.518 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCNC(=O)C2CCC2)CC1 1301075376 DSKJCSZYLNGNJP-UHFFFAOYSA-N 448.398 4.715 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301145926 MJSUFJIZZNAOIC-QAPCUYQASA-N 438.494 4.712 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1301245138 DLVRIFYUVYNCMQ-UHFFFAOYSA-N 435.572 4.829 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC(C)(C)SC 1301355162 RAZCVAKVAHLFQP-UHFFFAOYSA-N 425.577 4.737 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1301601808 JHVIPYSPHKWVKC-IAGOWNOFSA-N 436.025 4.553 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H]1CSC 1301606024 HOGBPCTYPUFBGA-QGZVFWFLSA-N 427.643 4.688 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 1303115730 RKODTJSZGGFHOK-HXUWFJFHSA-N 441.578 4.771 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccnc1OC1CCCC1 1304520086 AIQVFPRAIOEELR-LJQANCHMSA-N 430.556 4.757 30 10 IJEE C=CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1)Cc1ccccc1F 1307427404 YZAKBEJZPNMPPN-UHFFFAOYSA-N 445.538 4.691 30 10 IJEE C=C(Cl)C[C@@H](NCc1ccc(OC(F)(F)F)c(Br)c1)C(=O)OCC 1308899842 CRFVATQZCHCQNH-GFCCVEGCSA-N 430.648 4.512 30 10 IJEE CN(C)c1ccnc(CNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1 1310923675 GDGYHKKTDUGSGA-UHFFFAOYSA-N 438.347 4.759 30 10 IJEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@H](C)C2)ccc1OC(C)C 1315291505 HKRFTHJYBBPBOP-IPMKNSEASA-N 425.577 4.773 30 10 IJEE C#CCO[C@H](C)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 1349638089 PXFDYZRPTCUGNP-SNVBAGLBSA-N 436.377 4.748 30 10 IJEE C=CC[C@@]1(C(=O)NCc2cc(F)ccc2Br)CCCN1C(=O)OC(C)(C)C 1357987965 QJEJTZKXKWNROS-FQEVSTJZSA-N 441.341 4.550 30 10 IJEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1358980269 PCMYWJSOINBXNZ-MJGOQNOKSA-N 434.893 4.889 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359145132 GUYOZDJEFWOFCQ-AAEUAGOBSA-N 443.798 4.525 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccsc2)N(C)C)CC1 1359166266 LPJKQVFCTFOLAB-OAQYLSRUSA-N 443.567 4.668 30 10 IJEE C=CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](OC)C1 1359206055 SMYBHGOLLHEWRK-LJQANCHMSA-N 449.393 4.591 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1C[C@H](OC)C(C)(C)C1 1359223369 JGLAOUSESADTBW-UTKZUKDTSA-N 444.645 4.585 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)Oc1ccc(Cl)cc1)C1CC1 1359252123 FVKBLPWCUXICRT-OAHLLOKOSA-N 444.004 4.910 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CCCC2)n1CCN1CCC[C@@H](C)C1 1359255381 WIKXAVTZQSWOAR-OAQYLSRUSA-N 437.632 4.869 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359337466 SXHOFCJJCHNKJE-KCZVDYSFSA-N 427.662 4.658 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2cc(Br)ccc2C)cc1 1434884420 RDRPOLBNPJHIAZ-UHFFFAOYSA-N 427.342 4.753 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2nc3c(s2)CCC3(C)C)nnc1-c1ccco1 1436902364 RPCFMUZUVQDQPI-UHFFFAOYSA-N 429.571 4.525 30 10 IJEE C#CCN(CC)C(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1442144517 VSXFNGFEYWWDNG-QHCPKHFHSA-N 436.939 4.518 30 10 IJEE C=CCn1c(SCOC(=O)N2CCCC2)nc2cc(-c3ccccc3)sc2c1=O 1458858463 AVMFLIIQORFVOC-UHFFFAOYSA-N 427.551 4.593 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nc3cc(Cl)ccc3n2C)s1 1459259765 DMWQELCHWRXPCB-UHFFFAOYSA-N 441.409 4.695 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 1459632194 PDLYMRPIICMHJN-HYBUGGRVSA-N 435.955 4.963 30 10 IJEE C=CC[C@H]1N(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CCCC1(C)C 1459680289 HOUOBJPCUFGBIA-HSZRJFAPSA-N 430.548 4.732 30 10 IJEE C#C[C@H](NC(=O)c1cc(F)c(Br)cc1F)c1ccc(Br)cc1 1460790062 UJHKZVDPZCWKMS-HNNXBMFYSA-N 429.058 4.594 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1 1462503456 JXOXNXZFOOJAQA-YKSBVNFPSA-N 440.609 4.935 30 10 IJEE C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1467613150 GYPVEYBBFVYZPV-LIRRHRJNSA-N 436.408 4.817 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21)c1ccc(Cl)cc1F 1470664854 AEHUWYBWILDYSP-GDAAHCPNSA-N 433.708 4.553 30 10 IJEE C#CCOCSc1nnc(COc2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 1472999437 QTTHRAVEGYZFAO-UHFFFAOYSA-N 429.929 4.598 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(C)cc1OCCOC 1476729373 TYPHVRGVKUHSTK-UHFFFAOYSA-N 449.345 4.669 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCCC(F)(F)C2)cc1 1492319530 CJEDPJHXQWAZRP-OALUTQOASA-N 431.531 4.977 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(C)C)C1 1507756212 HQNQBTUTUVFLJS-SFHVURJKSA-N 433.021 4.749 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCCN1CCC[C@@H](C)C1 1507818962 YJNXOYBXKGPISH-LJQANCHMSA-N 431.028 4.908 30 10 IJEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1507930997 ODLRLEDIXRHUEX-JOCHJYFZSA-N 439.510 4.861 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1Cc2ccccc2[C@H]1C)C(C)C 1508012573 GYTPFRNJQVNBGI-KIFXHHALSA-N 435.616 4.562 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC[C@@H](C)C2)C1 1508117882 OWMNDGDYSVGYSK-MBOZVWFJSA-N 432.515 4.764 30 10 IJEE CCOC(C)(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC#N)CC1 1516085907 BZGIVASGTOHBKM-UHFFFAOYSA-N 434.544 4.545 30 10 IJEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1 1520011866 XEUYJDASTCRCQU-QFIPXVFZSA-N 447.000 4.952 30 10 IJEE CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1526150718 CTOHGWMLZFTGQF-LPHOPBHVSA-N 441.934 4.573 30 10 IJEE C#C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(Cl)cc1F 1528523753 PMSCWOLTUCPGSX-OAHLLOKOSA-N 431.088 4.765 30 10 IJEE Cc1ccccc1-c1cc(C(=O)NCc2ccc(C#N)c(F)c2)c2cnn(C(C)C)c2n1 1536227576 DCDILSMOUHJIEK-UHFFFAOYSA-N 427.483 4.928 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC1(CC(C)C)CC1 1539246919 ZHIGLADXMSGCQL-UHFFFAOYSA-N 425.374 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[C@@H](O)C1 1539656073 SNYZEGHVQDVMLK-QFBILLFUSA-N 433.394 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1539677430 CBLHPFXXOLDFRM-UPVQGACJSA-N 428.552 4.604 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Br)cc2)nnc1N(C)OC1CCCC1 1539817242 LLIILQXSZBZESE-UHFFFAOYSA-N 441.757 4.683 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2c3ccc(Cl)cc3C[C@H]2C)nnc1-c1ccco1 1540143564 VCKBUQSNHOWMSA-CQSZACIVSA-N 428.945 4.838 30 10 IJEE CC(C)(C)N1C(=O)C[C@H](C(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 1543578513 GDVOBHMEKUJTHX-UWJYYQICSA-N 427.907 4.872 30 10 IJEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H](C)c1ccccc1 1545458498 IBYASIMYKMBIJC-MSOLQXFVSA-N 430.556 4.520 30 10 IJEE C=C(C)COc1cccc(NC(=O)c2ncoc2C2CCN(C(=O)OC(C)(C)C)CC2)c1 1547452243 YXPVDGWORVHKQW-UHFFFAOYSA-N 441.528 4.996 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)c1ccccc1 1558718583 LFKPTQKIRBUSPB-JCOAXYOVSA-N 440.565 4.761 30 10 IJEE C=CCn1c(C)cc(C(=O)COc2c(Cl)cc(C(=O)OC)cc2Br)c1C 1559449356 QHIKDHMBRCQDJP-UHFFFAOYSA-N 440.721 4.755 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(C(F)(F)F)c(Cl)cc2SC)c1 1563108278 SFRMVZAHNNBXHA-UHFFFAOYSA-N 441.862 4.822 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@]2(C)Cc2ccccc2F)ccc1OC 1564024973 FDGFJPMMFDYYLO-NBGIEHNGSA-N 439.531 4.822 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2csc(C(F)(F)F)c2)nc1C 1565624918 OHQFJZVHLTYJIK-UHFFFAOYSA-N 431.490 4.517 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(ccc(OC)c2OC)[C@H]1CC 1583625920 LNHRJQBRXSPJLO-VQTJNVASSA-N 446.588 4.789 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)cc1Cl 1584370918 HQNMPFLUCJKYHE-UHFFFAOYSA-N 449.869 4.632 30 10 IJEE C#C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)c1ccc(Cl)cc1 1584691003 ZDQSOFFNMMYBAI-SFHVURJKSA-N 445.375 4.855 30 10 IJEE C=C(C)[C@H](NC(=O)c1ccc(OC)c(I)c1)c1ccc(F)c(F)c1 1585435712 NMOWNSDCJHQPNC-KRWDZBQOSA-N 443.231 4.625 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCO[C@@H]1C(=C)C 1588271294 HPXIVQOZYCCBMU-NHCUHLMSSA-N 447.608 4.818 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCCC(F)(F)C1 1588432698 HMTIWFXTTLBHEO-HXUWFJFHSA-N 430.543 4.747 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C(C)C)C1 1589570887 XDSMAEDJMGBFJI-FBLLAGFSSA-N 438.616 4.883 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](C)Oc1ccc(Cl)cc1 1589668907 HBEYHPBAIYUKFX-GOSISDBHSA-N 425.964 4.787 30 10 IJEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](CC(C)C)C1 1593735563 LAYLVJUICBLKRJ-OAQYLSRUSA-N 434.588 4.596 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC=C(Br)C1 1593915193 VWAFDTVHYDFGJW-UHFFFAOYSA-N 437.769 4.715 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CSCCS2)CC1 1594035460 JCKAWTMOUHKWGX-QGZVFWFLSA-N 438.569 4.552 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1594461875 YZCSUBMIWDRJRY-UHFFFAOYSA-N 446.039 4.748 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1594478208 OKTIZEJGWJQPGW-PBHICJAKSA-N 426.458 4.843 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1594573700 XHZNYWGEOIMEQG-UHFFFAOYSA-N 429.572 4.918 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1594634380 KIRTVOVIEHEIHH-UHFFFAOYSA-N 439.007 4.996 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccco1)N1CCCCC1 1595009513 IGUXFHSOKIDZEC-RZUBCFFCSA-N 441.620 4.639 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H]1CCO[C@H]1C(C)C 1595134214 VJWJFIJZXSFGIW-RDGATRHJSA-N 449.574 4.657 30 10 IJEE C#C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccc(Cl)cc1F 1597002297 ILPAFPZCPOHPSC-VQTJNVASSA-N 430.907 4.611 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC(C)(C)C1 1612916639 DAYHBECGROPSPW-KNQAVFIVSA-N 434.632 4.810 30 10 IJEE C=C(CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3)C(=O)OCC 1613240983 KCQJNUNJAPUCIJ-UHFFFAOYSA-N 440.590 4.846 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@](C)(C#N)C1 1615814662 DOFMWARRVNXLRT-JPYJTQIMSA-N 426.996 4.603 30 10 IJEE C=C(C)C(C)(C)C(=O)N1C[C@H](C[C@H]2COCCN2C(=O)OC(C)(C)C)c2ccccc21 1617382809 OPACWLDCTVVMCA-OALUTQOASA-N 428.573 4.745 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)COc3ccccc3OCc3ccccc3)CC2)cc1 1617894205 CIOOBJZFKOFRRW-UHFFFAOYSA-N 426.516 4.922 30 10 IJEE C#Cc1cccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccc(Br)cc2)c1 1618026782 GFHYAZNRJRCTSV-QFIPXVFZSA-N 443.341 4.809 30 10 IJEE C=CCC[C@@H](NC(=O)CCCN1CCN(C(C)C)CC1)c1ccc(C(F)(F)F)cc1 1623620804 RREKNNLVFOAVBZ-OAQYLSRUSA-N 425.539 4.635 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1623891179 LCCOQCBFANKIIY-UXHICEINSA-N 444.576 4.796 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 1624192375 OQJOBRCWHDAZGS-LJQANCHMSA-N 448.592 4.842 30 10 IJEE C=CC1(CC(=O)Nc2ncc(Cc3ccccc3F)s2)CN(C(=O)OC(C)(C)C)C1 1626095807 LJYPJHDENIZRHP-UHFFFAOYSA-N 431.533 4.625 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)n[nH]2)c1C 1626450146 XLWMTOZOCIHMOD-UHFFFAOYSA-N 427.508 4.798 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC 1627462570 LGRUOJICXDCNLV-TZIWHRDSSA-N 440.588 4.969 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 1633467375 UGDBBQWRHGIFJJ-OXJNMPFZSA-N 433.474 4.717 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1c(Cl)cccc1-n1ccnc1 1635642432 RLYCRBNNRONXJA-UHFFFAOYSA-N 426.952 4.591 30 10 IJEE C#Cc1ccc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)c(Cl)c1 1639821341 DKIUDQVXFRMYGH-OAQYLSRUSA-N 435.911 4.666 30 10 IJEE C#C[C@@H](NC(=O)Cc1c[nH]c2ccc(Br)cc12)c1ccc(Br)cc1 1641520905 IADDTPOCVCMIQU-QGZVFWFLSA-N 446.142 4.726 30 10 IJEE CC1(c2ccc(Br)cc2)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 1642842239 CZBZWLYNCCDVDX-UHFFFAOYSA-N 446.776 4.966 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)cc1OC 1657627839 IPZPNZIXMCQRFG-OALUTQOASA-N 436.980 4.839 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(F)ccc2F)c1 1661060707 MDEKXJHTQUDSCI-UHFFFAOYSA-N 430.428 4.528 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1661485036 ZRFKHJJCDZPEMR-UHFFFAOYSA-N 444.334 4.999 30 10 IJEE C#CC1CCN(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CC1 1665131205 MHJRKAONKZZVNY-UHFFFAOYSA-N 435.524 4.613 30 10 IJEE COc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)c(F)cc1C#N 1671933443 HEXIRMSREGTSGX-UHFFFAOYSA-N 434.201 4.936 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1673749809 HCJJCZATHLYIPJ-OAQYLSRUSA-N 429.351 4.774 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(C(F)(F)F)cc1 1675046735 PBBOSUTUFZQXAT-MRXNPFEDSA-N 436.390 4.542 30 10 IJEE C#C[C@H]1CCCCN1C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1676202431 ZQQRURCYUOSVGB-QFIPXVFZSA-N 432.955 4.933 30 10 IJEE C#CCN(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)[C@@H]1CCOc2ccc(Br)cc21 1677041920 VDPKKFDOSHEVEL-XGWLTEMNSA-N 447.295 4.895 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1cccc(F)c1F)[C@@H]1CCOc2ccc(Br)cc21 1680787469 OALBDNXQXWUVLD-SCLBCKFNSA-N 449.295 4.957 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccnc1OCCC 1689835180 HTOSRUUYVWVCNW-SFHVURJKSA-N 449.624 4.966 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@]1(C)CCCS1 1689841773 NXMGRUUJEMRASR-MHECFPHRSA-N 442.629 4.876 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 1689876505 BKFCDCYLHHLSML-NQIIRXRSSA-N 428.552 4.612 30 10 IJEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 1689895375 RKRZTLLGQLPIDD-FQEVSTJZSA-N 446.542 4.850 30 10 IJEE C#CCSCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(F)(F)F)CC1 1690161890 UOUSICAZUHXHEP-UHFFFAOYSA-N 434.487 4.836 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](c2ccco2)C1 1690163364 CEPLEMVWCMMZQJ-HNNXBMFYSA-N 430.936 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1690239070 QWXMCFYAUNDICW-WQDJSCAQSA-N 445.405 4.781 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1csc([C@H](C)OC)n1 1690272910 YOVGCFADWHFPJQ-QXAKKESOSA-N 447.649 4.811 30 10 IJEE C=CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCCC[C@@H](SC)C1)c1ccccc1 1690444143 BOAZQOPCHUJBGA-NHCUHLMSSA-N 434.613 4.817 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(Cc1ccc(F)cc1F)C1CC1 1690489751 BHRZONWWYNTYEM-UHFFFAOYSA-N 426.515 4.553 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCCOc1ccc(F)cc1 1690517415 FDJDORXRLGOVPU-UHFFFAOYSA-N 448.340 4.656 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1Cc1cccnc1OC 1690580057 YPYSBLCYVLYBNM-UHFFFAOYSA-N 449.555 4.714 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(SC)CC2)C1 1690686279 LKWGFZJEJJUTPL-QFBILLFUSA-N 449.020 4.748 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1C1CCCCC1 1692659750 AAMJVDVNXURZSN-ZJSXRUAMSA-N 434.632 4.599 30 10 IJEE CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1693907590 CMQTXXFKBZOULV-UHFFFAOYSA-N 434.632 4.641 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1N(C)CCCC1(C)C 1705608614 XYHNFVMZAPBGQK-IBGZPJMESA-N 434.415 4.832 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1705616798 NTGRVMAPTLVGOS-BZSNNMDCSA-N 443.389 4.515 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1C 1705666047 MCYMRLCATPSCQC-CQSZACIVSA-N 425.385 4.519 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H](OC)[C@H](C)CC 1705669649 RXICXERTBYWRHI-XZLZDHACSA-N 431.584 4.855 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CC(C)C 1705693543 HTSPECWYTKJLBI-RBBKRZOGSA-N 439.604 4.611 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(F)(F)CC1 1705708334 AZYZJXODEBVPOP-SIKLNZKXSA-N 446.542 4.691 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccco1 1705709283 NATPLULYGHRVJP-YKSBVNFPSA-N 436.556 4.685 30 10 IJEE C=C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](OC)C(C)C)CC1 1705764704 KDCFRDSVPAFDPX-GOSISDBHSA-N 437.357 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@](F)(C#N)C1 1705786701 WEEQBGTWPYKSAD-FQEVSTJZSA-N 432.341 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1705789454 LRCZZMGRSSDDBW-UHFFFAOYSA-N 431.588 4.727 30 10 IJEE C=CCCCCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)o1 1705807560 HHCFWHNJACOGTG-UHFFFAOYSA-N 430.350 4.612 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1CCC 1705856545 WPPLSICIFUMOQA-NRFANRHFSA-N 425.621 4.651 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1CCCNC(=O)OC(C)(C)C 1705862521 NAXVQPOMLATCEO-UHFFFAOYSA-N 443.567 4.792 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC(F)(F)C1 1705868471 PAQXGPPWRHOXDX-KRWDZBQOSA-N 429.540 4.953 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705887327 ZCHCCYGAZHWDCV-CMKODMSKSA-N 430.980 4.880 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(CC)[C@H](C)C1 1705942255 LVBAUKNAFAVCHH-QZTJIDSGSA-N 445.702 4.581 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1Cc2ccc(Br)cc2C1 1722327966 VFUHJMMTNGFMRO-UHFFFAOYSA-N 442.748 4.690 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722408617 NFAPPBMDOHBEFT-HNNXBMFYSA-N 425.989 4.688 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1C[C@H](CC)N1CCCC1 1722421636 JIYCXEVRIUQHII-DEOSSOPVSA-N 437.607 4.664 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCO[C@H]1CCOC1 1722503903 WVMKSAQTQYCUOG-ICSRJNTNSA-N 444.645 4.729 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCCCC2)CC1 1722560690 BWPAVHNCVDYXOR-UHFFFAOYSA-N 437.407 4.621 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@](C)(O)CCC)CC1 1722574468 LYWARHORUPFPFR-CJFMBICVSA-N 426.605 4.988 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 1722596762 NGNQUHRBFJDVAW-DEOSSOPVSA-N 444.627 4.544 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC(=O)N(C)C[C@H]1C 1722600177 LHOQHZMBRZDNRO-OAHLLOKOSA-N 444.004 4.836 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCCC1(C)C 1722673886 IAVDISIZBXRAQD-XMMPIXPASA-N 440.613 4.700 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)c2ncc(C)s2)C1 1722716955 AHCJMFFWHDMCLN-UTKZUKDTSA-N 437.613 4.857 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCCS2)C1 1724003688 DAIXRJIMTIILBF-DYESRHJHSA-N 433.528 4.572 30 10 IJEE C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNc1ncc(Cl)cc1Cl 1726580273 AHWVDNWVLZUDCJ-AWEZNQCLSA-N 442.354 4.619 30 10 IJEE CN(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 1729319845 IBTANINHOWRZFX-WIOPSUGQSA-N 426.653 4.651 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CC)C[C@@H]1CCCO1 1740712113 XFEXHJUUTVAFMU-MJGOQNOKSA-N 444.670 4.503 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCN2CCCC)CC1 1740841427 XHLNWJOUFNKGTA-JOCHJYFZSA-N 442.677 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(C)C)CC1 1740852849 TVDGQBXSIVJPTG-UHFFFAOYSA-N 429.634 4.744 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1CCc1nc2c(s1)CCCC2 1741516023 DUPFJVOLMLHKLW-UHFFFAOYSA-N 437.617 4.617 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(Cl)s2)C1 1741984097 HFKQHGDVTIYVEY-QFIPXVFZSA-N 436.972 4.904 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1Cc1coc(-c2cccs2)n1 1748829361 AIRZJYNALHUHNG-OAQYLSRUSA-N 441.560 4.658 30 10 IJEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1748830037 NQSIWRDMVSLWKI-KSZLIROESA-N 448.464 4.924 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(C)s1 1749122495 WVISDZJWYJAAFC-IFMALSPDSA-N 433.581 4.804 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCO[C@@H](C)C1 1749170190 BWIWQUFSOWYEPY-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749218258 JOUJOWSKKVRWRH-GMAHTHKFSA-N 438.616 4.841 30 10 IJEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCN(Cc2ccsc2)CC1 1749275525 FGNGRJZIMOSKEP-UHFFFAOYSA-N 442.032 4.590 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[C@H](OC)C(F)(F)F)CC1 1749292914 YGVIJVCPGQBYFQ-QAPCUYQASA-N 442.457 4.681 30 10 IJEE C=CCCCCn1c(-c2cc3ccccc3o2)nnc1N(C)CCN1CCOC(C)(C)C1 1749391550 VPHSMHPFEFKBOA-UHFFFAOYSA-N 437.588 4.595 30 10 IJEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1749473386 GYQDEWUNDCDNIM-MRXNPFEDSA-N 425.533 4.569 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCc1ccccc1C 1749561133 GWCDVRFBPDEQPM-UHFFFAOYSA-N 440.389 4.776 30 10 IJEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)C1 1750065944 DDUSHIIGPUXFNA-SJORKVTESA-N 449.430 4.968 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)[C@H](C)C1CCC1 1760161857 MUONVNLGHGXWNP-CTNGQTDRSA-N 443.636 4.821 30 10 IJEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(CC)CCOCC1 1760164868 CCEXHIPHGQZNBM-UHFFFAOYSA-N 431.584 4.629 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1c(CC)noc1C 1760166964 WXVJVKWBKAYIAH-UHFFFAOYSA-N 435.528 4.789 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H]1CCCCO1 1760215321 WOUBVQDZWTZEBH-GOSISDBHSA-N 431.367 4.674 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(C)(C)c1ccccn1 1760289549 QDHCVLXFMYLFND-AFMDSPMNSA-N 447.558 4.922 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CC=CCO1 1760331666 WIMVSHYGRDFTBK-MRXNPFEDSA-N 435.341 4.594 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1cccc(OCC(F)(F)F)c1 1760333161 ZVEZUYNSLHEJJZ-UHFFFAOYSA-N 431.462 4.732 30 10 IJEE C=CCC(C)(C)Cn1c(N(C)[C@H](C)c2ccc(F)cc2)nnc1[C@@]1(OCC)CCOC1 1760416299 ZSJPILZZJATHNM-HOYKHHGWSA-N 430.568 4.869 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760443296 DVPMBPFBWFBTFQ-HXUWFJFHSA-N 441.645 4.586 30 10 IJEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OC(C)(C)C)CC1 1760449564 NXFBMDLWPLMRCD-UHFFFAOYSA-N 437.588 4.803 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)cc1OCC(F)(F)F)C1CC1 1760472658 CBVXXJVYBWBHRM-UHFFFAOYSA-N 431.462 4.726 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)CC 1760498425 QYDJFQAWPJTCDH-DRLORSAXSA-N 440.632 4.593 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC1(CC)CCOCC1 1760504552 TYASHRVTQGRVDC-UHFFFAOYSA-N 436.959 4.583 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC(F)(F)F 1760560584 ZERWGIBDTQPZSM-MRXNPFEDSA-N 428.524 4.953 30 10 IJEE Cn1c2ccc(Br)cc2c2nnc(NN=Cc3c(F)cccc3Cl)nc21 1772765061 QNYQIJDNHWPUMV-UHFFFAOYSA-N 433.672 4.518 30 10 IJEE C=CCNC(=O)Oc1cccc2c(NC(=O)/C=C/c3cc(OC)ccc3OC)cccc12 1858942603 KACJHFDCZSBAKR-SDNWHVSQSA-N 432.476 4.783 30 10 IJEE N#Cc1cccc(C(=O)Nc2ccc(Cl)c(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1 1860461942 ZZAACLLCVRXRGC-UHFFFAOYSA-N 434.839 4.553 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F 1862512251 QUMASZZOHJCTRL-LJQANCHMSA-N 446.862 4.930 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccc(C)cc2)c1 1862558816 AFIIRQGLDLKNJF-DEOSSOPVSA-N 442.515 4.754 30 10 IJEE CCCCOCCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2cc[nH]c2c1 1862560148 FPHZHYRKWKUDNW-HSZRJFAPSA-N 447.535 4.535 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2cccc(OC)c2)cc1 1862686952 DHLVDHLSOBEEGG-FQQGMQMYSA-N 435.520 4.861 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2cccs2)c1 1862694969 WZFLZDSJRQWPEM-QFIPXVFZSA-N 449.528 4.934 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(F)cccc1Cl 1862720417 WEYQPIYJLWKBOV-NRFANRHFSA-N 439.870 4.857 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccccc2F)C1=O 1862934441 SKUJNWKDSMDRKO-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccc(F)c(F)c3)=C(c3ccccc3Cl)C2=O)c1 1863076451 ODAKTTUGHPGZRE-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE N#Cc1ccc(NC2=C(c3cccs3)C(=O)N(CCCCc3ccccc3)C2=O)cc1 1863478758 KYXLBSXSUZDHBL-UHFFFAOYSA-N 427.529 4.835 30 10 IJEE CC(C)[C@@H](C(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1)c1ccc(F)cc1 1866967484 JZWKTSIPXFQATG-DNQXCXABSA-N 429.495 4.933 30 10 IJEE Cc1cccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1870156636 XEPUTIZUINPFRM-UHFFFAOYSA-N 439.319 4.737 30 10 IJEE N#Cc1ccc(COc2cn(CCCCCCO)c(CSc3ccccn3)cc2=O)cc1 1870233808 JHSWEOSBEMGENR-UHFFFAOYSA-N 449.576 4.539 30 10 IJEE C=CCOc1cn(CCCOC(C)C)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1870812873 MQCHXWDWJNZEBU-UHFFFAOYSA-N 441.616 4.995 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4)cc(C)c3C2=O)cc1OC 1871364268 NSBDHXRHFWGJOZ-QRVIBDJDSA-N 446.455 4.613 30 10 IJEE C[C@@H]1CN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C[C@@H](C)O1 1871395335 OARVIZJMKPNOIM-YKOHVQDESA-N 434.319 4.924 30 10 IJEE CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 1871420587 FDFRTFGNKGXWBX-FMCGGJTJSA-N 431.419 4.662 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(-c2ccccc2C)cc1)S(C)(=O)=O 1872217682 SWKWCLALIBXOTF-HSZRJFAPSA-N 428.598 4.997 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)cc2c(N3CCCCCC3)ncnc21 1873655466 FJXGDXBLOOVGAD-UHFFFAOYSA-N 444.583 4.850 30 10 IJEE CCCCCCCCCCNC(=O)CCCNC(=O)c1cc2c(OC)ccc(OC)c2[nH]1 1873935759 YLDMRDRAWVADEZ-UHFFFAOYSA-N 445.604 4.952 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCCC)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874277552 WSKFVFGTMNZGIK-LSPPGFKNSA-N 443.617 4.566 30 10 IJEE COc1cccc(CCc2nnc(SCCc3ccccc3)n2/N=C/c2ccccn2)c1 1874310870 RJFGNEKEYAZSFE-ZXVVBBHZSA-N 443.576 4.684 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(F)cc3)nnc2SC)cc1OC 1874377049 BQDQNXJAMRSIKH-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2ccc(F)cc2)c1 1874465494 LUPCAYSRCLAYDT-DHRITJCHSA-N 449.511 4.907 30 10 IJEE CCN(CC)C(=O)COc1cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)ccc1OC 1874600022 OUBPWMUEVVWNSQ-JXMROGBWSA-N 431.916 4.501 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c(OC)c2)cc1C 1874607870 KKONZWDXIXZQQX-FMIVXFBMSA-N 437.536 4.736 30 10 IJEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 1874617743 RFHXZCJOHWBQSQ-FMIVXFBMSA-N 436.508 4.935 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)[C@H]3CCCO3)c(Br)c2)cc1C 1875108537 SVCZMNPYXOIORE-WKOQKXSESA-N 445.309 4.747 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccccc3C)ncnc2n1Cc1ccco1 1875233527 FMKXFJACGDVTPJ-UHFFFAOYSA-N 441.535 4.807 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C 1922070331 YILMANBILIEZLN-BAGYTPMASA-N 434.621 4.834 30 10 IJEE C=CCC1([C@H](NC)c2cc(C)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 1926706917 CSGRJESUSHUDDE-QGZVFWFLSA-N 427.358 4.970 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2038297481 WAUMXIBEPACZOX-SWWFSWNPSA-N 443.544 4.728 30 10 IJEE Oc1c(I)cc2oc3c(c2c1C=NCc1ccncc1)CCCC3 2040464805 FBWWPLWOVOMYGR-UHFFFAOYSA-N 432.261 4.636 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCC 2047975475 DWSPVIASOPOWED-CVEARBPZSA-N 429.786 4.540 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](NC(=O)OC(C)(C)C)C1(OC)CCCC1 2052484292 QDFNXZRXSKZWID-XZOQPEGZSA-N 446.632 4.980 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(/C=N/O)c2I)cc1 2079024438 DKNAVGQPXZBSCZ-XYHOIZSOSA-N 435.309 4.655 30 10 IJEE COc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)n4)c(C(F)(F)F)nn13)CCCC2 2081200369 PEXJQUYNFSZJPV-UHFFFAOYSA-N 434.315 4.855 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cccc1Br 2116837901 BGQJUSPLSMYBFF-FUHWJXTLSA-N 427.358 4.936 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCc2cc(Cl)cc(Br)c2)C1 2126625475 BVTIJTKRPMKMPY-UHFFFAOYSA-N 443.769 4.580 30 10 IJEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)c1cc(Cl)c(Cl)s1 2156092990 HMXUWAYGVMOUPR-UHFFFAOYSA-N 432.203 4.688 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@@H](C)CCCN(C)C(=O)OC(C)(C)C 2168120976 KUPKCUHPSXZFJX-INIZCTEOSA-N 439.394 4.586 30 10 IJEE CC[C@H]1CCN(c2ccc(C#N)c(Br)c2F)[C@H](CNC(=O)OC(C)(C)C)C1 2174813821 AOXLMSJROCFQDE-ZFWWWQNUSA-N 440.357 4.980 30 10 IJEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)c(Br)c2F)C12CCC2 2175032619 UZQANIYDVYULPL-UKRRQHHQSA-N 438.341 4.955 30 10 IJEE CC1(C)OB(c2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)OC1(C)C 2178287203 ATRITKWBTJULFV-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNc2cc(Br)cnc2C#N)CC1 2178641769 PAFQOVWMYYNCJS-HJGJAMNPSA-N 441.345 4.551 30 10 IJEE CC(C)(C)OC(=O)N1Cc2ccc([C@@H](N)C#Cc3ccccc3Br)cc2C1 2235747827 TXHGLEGNDONBGL-FQEVSTJZSA-N 427.342 4.751 30 10 IJEE Cc1sc(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(Br)c1C 2237679876 HTTXGIBASHGRKD-UHFFFAOYSA-N 436.180 4.679 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1c(F)ccc(Br)c1F 2239741933 AMFIWTPKSOCGGF-HNNXBMFYSA-N 446.336 4.871 30 10 IJEE C=CCCN(Cc1ccccc1)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2247835738 PSOWIPZVYXEXBO-UHFFFAOYSA-N 425.765 4.858 30 10 IJEE CC(C)(C)C#CC=CC[C@@H](O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248446869 DYJIZQULWWUMMD-JOCHJYFZSA-N 427.585 4.797 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255645081 FGSWXPFJPAOBTQ-UHFFFAOYSA-N 444.362 4.647 30 10 IJEE C=CCC1(C(=O)Nc2ccc(Br)cc2Cl)CN(C(=O)OC(C)(C)C)C1 2263573035 CQVLKRAKNZNANH-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)c1cc(Br)c(Br)o1 2264168776 ZQHBRTOUEIRVHA-UHFFFAOYSA-N 432.893 4.802 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2296220744 BFFCGOJILCOIOP-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#Cc2ccc(Br)cc2)CCC12CCC2 2296297194 WIZGEOLXULWSOJ-IEBWSBKVSA-N 433.390 4.698 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)CCN(CC1CC1)C(=O)OC(C)(C)C 2296297378 YCLQJJYXFPEKNK-FQEVSTJZSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC 2296298769 NLYGPPWBLFSLOC-AQNXPRMDSA-N 435.406 4.814 30 10 IJEE COc1ccccc1C=CC=C1Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C1=O 2296607592 XLZQWHQXKOESII-UHFFFAOYSA-N 434.469 4.635 30 10 IJEE CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(F)cc2)[C@H]1c1ccc(C(C)C)cc1 2296931438 MUJQIMGPFHXIBT-HSZRJFAPSA-N 438.543 4.713 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(O)c(OC)c2)C1=O 2297306538 MWOANJYOOFZTQI-UHFFFAOYSA-N 431.897 4.598 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3coc5ccccc5c3=O)CC(=O)O4)C2=O)o1 2297592270 MKPYKACNVRQWAS-QGZVFWFLSA-N 440.407 4.752 30 10 IJEE COc1ccc(C=CC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 2314429552 JRTBFFVMAOYYNG-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE O=C1Nc2ccccc2C1=C1SC(=Nc2ccncc2Cl)N(c2ccccc2)C1=O 2314542945 RDHGZFROUWCBTH-UHFFFAOYSA-N 432.892 4.866 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Cl)ccc2OCC(=O)NCc2ccco2)cc1 2322557745 NGESAPPVFHNPBI-UHFFFAOYSA-N 439.895 4.923 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)NC3CCCCC3)c2)cc1C 2323078668 LPJHLVZJNHKCDL-UHFFFAOYSA-N 437.536 4.736 30 10 IJEE COc1cccc(C=NNc2nc(O)cc(-c3ccccc3)n2)c1OCc1ccccc1 2323259251 BGXUNQOINNFWON-UHFFFAOYSA-N 426.476 4.883 30 10 IJEE CCN(CC)C(=O)COc1c(Cl)cc(C=CC(=O)c2ccccc2OC)cc1OC 2323700333 KZHLKTFEQOPZDN-UHFFFAOYSA-N 431.916 4.501 30 10 IJEE COc1ccc(-c2csc(NN=Cc3ccc(OC)c(OC)c3Cl)n2)c(OC)c1 2323858577 OEVWQFTXTHZBFG-UHFFFAOYSA-N 433.917 4.944 30 10 IJEE N#C[C@@]1(Cc2ccc(I)c(Br)c2)CCC(F)(F)C1 2325257109 SJOZEZZBVTWKIS-GFCCVEGCSA-N 426.042 4.925 30 10 IJEE O=C1C(=Cc2cccs2)Oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc21 2325261564 XPKTWEKVFCIZDB-UHFFFAOYSA-N 437.429 4.718 30 10 IJEE COC(=O)c1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccco2)cc1 2326801836 MOZSKNHOLIHNIN-UHFFFAOYSA-N 446.532 4.617 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(OC)c(O)c1 2328858117 GJERNRYQFXRUHD-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE O=C(CSc1nnc(CC2CCCCC2)n1N=Cc1ccco1)Nc1ccccc1F 2330231195 JYEYBIDLUCNWJJ-UHFFFAOYSA-N 441.532 4.746 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2330621786 WEDSUEABRZMTDE-UHFFFAOYSA-N 431.400 4.635 30 10 IJEE COc1cccc(C(=O)C=Cc2cc(OC)c(OC(=O)c3cccc(F)c3)c(OC)c2)c1 2330777976 YECSCACZJPQFCV-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cccc(C)c1 2330895939 IITAFXKURAZEBY-OAQYLSRUSA-N 449.580 4.613 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccccn1 2330974672 DVBVZVJFDLVDBN-UHFFFAOYSA-N 448.431 4.512 30 10 IJEE COc1ccc(C=Nn2c(CC(C)C)nnc2SCc2ccccc2F)cc1OC 2331454081 UCRYUHOTEBWABO-UHFFFAOYSA-N 428.533 4.807 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2)cc1 2331494243 NGNBZDAYLXEDNZ-UHFFFAOYSA-N 437.544 4.860 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(F)cc1F 2331499864 AAHHYWSMATXBKC-UHFFFAOYSA-N 441.507 4.745 30 10 IJEE Cc1cc(CN[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343649529 JEVAYWBRGIDEGR-RPWUZVMVSA-N 435.417 4.768 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)[C@H](C(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2369739907 ZSMJKIFADIKAPC-SANMLTNESA-N 448.460 4.637 30 10 IJEE CC/N=C1/S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)N1CC 6240635 VMBAKLRSLDQHBD-JEBQXDLDSA-N 432.549 4.592 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2 14548034 XQCDRKNRIQHGBG-UMEGOILYSA-N 432.545 4.836 30 10 IJEE N#CCCn1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc21 15598140 KMUAPOOUEHBBEG-XBFAEUMISA-N 427.504 4.703 30 10 IJEE CCOc1cc(/C=N/Nc2nc(C)cc(COC)c2C#N)ccc1OCc1cccc(F)c1 33958752 TXVNLVYGQSBXEF-CCVNUDIWSA-N 448.498 4.971 30 10 IJEE COc1cc(C(=O)Oc2ccc(C(=O)/C=C/c3ccccc3F)cc2)cc(OC)c1OC 34954587 UGTSQBWWFFHXBT-JLHYYAGUSA-N 436.435 4.967 30 10 IJEE COc1ccc(/C=C2\S/C(=N/c3nnc(C)s3)N(C3CCCCC3)C2=O)cc1OC 39866500 WMQXSWFQONGRSU-NOQVSKCTSA-N 444.582 4.800 30 10 IJEE C=CCn1c(CCCOc2ccccc2C)nnc1SCC(=O)Nc1ccccc1C 40978325 XZBYZIDDDJDOAR-UHFFFAOYSA-N 436.581 4.823 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccccc2OC)CO3)C1=O 41653754 KMXFBEUOCYAPLA-CFRMEGHHSA-N 429.472 4.672 30 10 IJEE N#Cc1ccc(NC(=O)[C@H]2CCCc3sc(NC(=O)c4ccc(Cl)cc4)nc32)cc1 44441650 YUZJLXKLLHVOBB-KRWDZBQOSA-N 436.924 4.979 30 10 IJEE N#C[C@@H](C(=O)c1cccc(I)c1)c1ccccc1Br 55333628 UVXGFSHCNZTZNT-CYBMUJFWSA-N 426.051 4.544 30 10 IJEE CCCCSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccco3)[C@H]2c2ccccc2)s1 102622582 PYOBVJKRFMISNQ-CFBLSMTOSA-N 441.534 4.650 30 10 IJEE CCOc1ccccc1N/C=C1\C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 103133452 SEQRHRITMVDLQC-XSFVSMFZSA-N 440.546 4.633 30 10 IJEE COc1ccc(CN(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 115382300 YQYDBWVSSAGPJH-UHFFFAOYSA-N 426.925 4.611 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccccc2)c1 170036470 AUDHSOXSAVCQKW-HSZRJFAPSA-N 443.455 4.597 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(C)c1 170147854 IEYXRFBUSPMTKG-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccncc2)c1 170201446 LMZFAHWLXLFMHO-HSZRJFAPSA-N 444.487 4.605 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)ccc1OC(C)C 170203495 SAMZARZAAQGWBO-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1F 170252209 QKFFPNZVBDRWBF-QHCPKHFHSA-N 432.495 4.509 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2C)c1 170274664 OKRMOQJAQHRDKL-HSZRJFAPSA-N 428.488 4.567 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc(C)cc(C)c2OC)[C@H]1c1ccco1 170287871 SVGSYDFOYPQGSR-OAQYLSRUSA-N 433.460 4.697 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(OC)cc3)[C@@H]2c2ccco2)cc1C 170291296 XGBZURGSDDCCMA-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccco2)cc1C 170297568 JFMJEJKYFMANDM-NRFANRHFSA-N 443.459 4.564 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(C)o1 170306341 AIWFRWNYRJFRSL-FQEVSTJZSA-N 443.377 4.797 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2sccc2C)cc1C 170317051 JAFDTABCBRCNPN-NRFANRHFSA-N 448.544 4.855 30 10 IJEE COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(C)c3)sc2c1 170461941 MARUMRAGVGAPAT-HXUWFJFHSA-N 446.484 4.989 30 10 IJEE CC(C)CCn1c(COc2ccccc2)nnc1SCCC(=O)Nc1ccccc1C#N 248239342 DIDKSZYGHSQORE-UHFFFAOYSA-N 449.580 4.896 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCC 407016069 QOIGTZJWVALQLW-ROUUACIJSA-N 429.374 4.968 30 10 IJEE C=CCCc1ccccc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 410367621 ROQKFXREHSLUDM-UHFFFAOYSA-N 436.371 4.759 30 10 IJEE C=CCC[C@H](NC(=O)CCc1nc2ccccc2oc1=O)c1ccc(C(F)(F)F)cc1 441582589 RPBGQQUWAXKATB-KRWDZBQOSA-N 430.426 4.963 30 10 IJEE C=CCC[C@@H](NC(=O)NCCCc1nnc2ccccn12)c1ccc(C(F)(F)F)cc1 442244017 WZIUUQWHENPWPW-GOSISDBHSA-N 431.462 4.687 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H](C)c1cccnc1)c1ccc2c(c1)OCCO2 469256139 YQLSQFJYJDBHJJ-IBGZPJMESA-N 430.504 4.755 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)nnc1-c1ccco1 482491200 QEAKXGFLSGFZDJ-KKSFZXQISA-N 440.544 4.955 30 10 IJEE C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@]2(CCCOC2)C1 508851342 ZBQKULCGOFOBIK-XMMPIXPASA-N 435.597 4.960 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 508862508 DZJNKKVQJQXQNH-QGZVFWFLSA-N 436.585 4.658 30 10 IJEE C=CCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 519727523 SCOFJZHTIHPTPJ-OAQYLSRUSA-N 439.567 4.519 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@@H]2c2cc(OC)ccc2OC)cc1 526517048 SFAIURTURDYALS-XMMPIXPASA-N 442.471 4.641 30 10 IJEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 553054641 DOIXTVVSNZXGOG-FGZHOGPDSA-N 445.519 4.714 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 571365264 LHUPBDUGEZDCBV-DSITVLBTSA-N 443.595 4.815 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 670196302 HFSUMXRPVYTSLI-SIKLNZKXSA-N 449.603 4.661 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccncc1Br)NCCC 702965378 QTWRFZOYJLDLOB-ROUUACIJSA-N 426.399 4.614 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1(c2cccc(C)c2)CCCC1 744925567 IAQZVQXITIEDAA-FQEVSTJZSA-N 434.536 4.694 30 10 IJEE C/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc([N+](=O)[O-])cc1 752355386 QWWSOBIHYGJAIE-KGAUPUERSA-N 439.493 4.574 30 10 IJEE C=CCn1c(-c2ccccn2)nn(CN2CCC(Cc3ccc(OC)cc3)CC2)c1=S 764954212 JSWKHXAPDRQXEG-UHFFFAOYSA-N 435.597 4.583 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1nn(-c2ccccc2Cl)cc1C 766622471 IHDIPUYTNMFEDG-GOSISDBHSA-N 434.927 4.920 30 10 IJEE FC(F)(F)CNC(=S)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 768787974 IBIXJZWKFIEVOK-NSHDSACASA-N 440.331 4.534 30 10 IJEE Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)c1c(F)cc(C#N)cc1F 770779776 VWUOIEGNYJYFMT-UHFFFAOYSA-N 427.451 4.542 30 10 IJEE C#CCOc1ccccc1CN[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 772987909 MMGDSSOPYQBPAZ-AJTFRIOCSA-N 448.563 4.692 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)c1nnc(-c2ccc(F)cc2)o1 782289364 WVWGPMXFTKSORW-OAHLLOKOSA-N 434.427 4.544 30 10 IJEE N#C[C@H](C(=O)CCCCC(=O)c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 783339675 GEDSTUSHNNVQPK-QGZVFWFLSA-N 433.533 4.895 30 10 IJEE CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@@H]2C[C@H]2c2ccc3ccccc3c2)C1=O 797798232 UQXRSYVPPXNSMY-VLCRHTCISA-N 447.535 4.603 30 10 IJEE N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)o1 816764718 AZVNRAJAVDPRBG-UHFFFAOYSA-N 442.475 4.720 30 10 IJEE C=CCc1cc(-c2nc(CC3CCN(C(=O)OC(C)(C)C)CC3)no2)cc(OC)c1OC 904977846 QRTQGDDTPGRAOG-UHFFFAOYSA-N 443.544 4.672 30 10 IJEE C#CCOc1ccc(CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1 1129127145 TVLBICWSGOCAMB-UHFFFAOYSA-N 431.879 4.728 30 10 IJEE C#C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1ccc(Cl)cc1F 1129615594 CBMNPTNEIWBDJU-MRXNPFEDSA-N 425.641 4.563 30 10 IJEE C#C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1)c1ccccc1 1130119070 KUHKWULISZAPHF-RTBURBONSA-N 432.442 4.762 30 10 IJEE C=CCC[C@@H](C(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)OC)c1ccccc1 1133368923 DNJNXFJQOBRCNY-WOJBJXKFSA-N 435.442 4.536 30 10 IJEE Cc1[nH]c(C#N)cc1C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1135338470 HXULWUIAKXRVTK-UHFFFAOYSA-N 429.911 4.973 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 1137426037 VALKEFBINWEIRZ-BJKOFHAPSA-N 448.563 4.628 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 1138264075 JHCMSVIBVSUDMT-LSTHTHJFSA-N 436.980 4.878 30 10 IJEE C=C[C@@](C)(CCOC)C(=O)Nc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 1139339792 OEKSHKITWPRWFQ-FQEVSTJZSA-N 430.467 4.897 30 10 IJEE C=CCc1ccc(OCC(=O)N2C[C@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(OC)c1 1141360242 YXEZELVJQPQTJV-AOMKIAJQSA-N 449.469 4.810 30 10 IJEE C#CCN(Cc1ccc(OCC)c(OC)c1)[C@H]1CCOc2ccc(Br)cc21 1204924149 SDZLKSRNRCIOAS-IBGZPJMESA-N 430.342 4.815 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NCc3c(F)cccc3N3CCCC3)cc2)nc1 1214965087 FIXRMMHTAXQCOF-UHFFFAOYSA-N 431.471 4.807 30 10 IJEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 1217001830 QAKSCCFOGYKPAJ-HNNXBMFYSA-N 435.293 4.930 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(-n2cnc3ccccc32)cc1)c1ccc(Cl)cc1F 1225396306 NHXJYHNSTSLYQN-NRFANRHFSA-N 432.886 4.992 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1)c1ccc(F)c(F)c1 1226658490 CIFIRKLRSKUJDN-DOTOQJQBSA-N 426.389 4.938 30 10 IJEE N#Cc1cccc(-c2cc(C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)on2)c1 1264892220 FLAPBWAOEYQQQR-UHFFFAOYSA-N 439.427 4.801 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c(OC)c1 1266384192 ZGSJZYLGUGVWNW-UHFFFAOYSA-N 440.503 4.893 30 10 IJEE N#Cc1cc(Br)cc(COC(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1 1270778881 HQPMALWOCPCRHL-UHFFFAOYSA-N 435.277 4.930 30 10 IJEE COc1ccc(-c2noc(CCC(=O)Nc3sc4c(c3C#N)C[C@H](C)C[C@@H]4C)n2)cc1 1273946545 HUFFAOCGINQFPK-KGLIPLIRSA-N 436.537 4.935 30 10 IJEE C=CC[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)C1 1280379685 YDVLQKKMPMGKGD-ZDUSSCGKSA-N 429.303 4.832 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCC(F)(F)C1 1286274367 LYGKUBCTOZJQAE-KGLIPLIRSA-N 440.336 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1ncc(CC)s1 1286278343 NGQFIVSUXQYICT-JKSUJKDBSA-N 444.004 4.791 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCc1ccncc1 1286439228 SFDGRNYWNIULEQ-UHFFFAOYSA-N 431.540 4.910 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC=C(C(C)(C)C)CC1 1286513144 RGKVATBNZMLHAP-WOJBJXKFSA-N 430.662 4.746 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC[C@H]1C[C@H](F)C1 1286518448 VLNVFIKMOOTBSJ-FQELHTAISA-N 431.353 4.838 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2cccc(OC(F)F)c2)nnc1C(C)(C)C 1286548466 WDVXEJJEBDDINP-UHFFFAOYSA-N 429.309 4.722 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@H](C)C1 1286625461 HGUATOOBOIVKHU-LLVKDONJSA-N 431.762 4.541 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCc2oncc2C1 1286666262 CLDNZDLDWAYJBN-UHFFFAOYSA-N 442.361 4.861 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@@H]2Cc2ccccc2)nnc1[C@]1(OCC)CCOC1 1286677081 XNZJULMRDYZZDN-GJZUVCINSA-N 438.616 4.744 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccccc1)C1CC1 1286717770 JWAQRSCNSJJEMJ-SFHVURJKSA-N 426.362 4.852 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1-n1nc(C)cc1C 1286757011 CHVCUDUIAWATSP-HSZRJFAPSA-N 432.572 4.549 30 10 IJEE C=CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H]1CCSC1 1286826347 FIPPFOCREBZXLG-WBVHZDCISA-N 434.700 4.992 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCSC1 1288952991 GUDUXLKTZNKQIM-IEBWSBKVSA-N 443.592 4.830 30 10 IJEE CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)N1CCCC1 1292222620 FCJZTVAMZWBCCN-XMMPIXPASA-N 446.643 4.906 30 10 IJEE C#CCN(CC1CC1)C(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 1295160556 VUWPOSWWAWGPRQ-UHFFFAOYSA-N 431.561 4.977 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCc2cccnc21 1300273577 GDORNOSXJDZRLF-BJLQDIEVSA-N 433.531 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1300321868 OXOOHFXJGPNECB-XUVXKRRUSA-N 438.616 4.816 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@](C)(OC)CC1 1300393474 FFFYXTNLFNCITI-VWLOTQADSA-N 440.588 4.551 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCC[C@@H](C)C1 1300438662 RCIAIHAOXBLNIF-MRXNPFEDSA-N 428.005 4.615 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1300565499 QIIFEBKVUOALFB-DNQXCXABSA-N 432.612 4.812 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(CC)CCCC 1300876645 UVTTXGSRHQGKJQ-IFMALSPDSA-N 439.604 4.755 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1300963284 REUUQALKLTUJNX-KUHUBIRLSA-N 437.371 4.744 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301145589 APSSKRFXMXOXEH-LJQANCHMSA-N 434.588 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H]3CCCC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301158927 QKLNWOYURCPZSS-WATLYSKOSA-N 430.637 4.938 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1301176603 GAFOFXZCSSIJID-UHFFFAOYSA-N 437.632 4.904 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1301198846 RWVRTRRMGXHQHW-UHFFFAOYSA-N 441.938 4.964 30 10 IJEE C=CCCOCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301238680 CFVVINATIUHKRE-FCHUYYIVSA-N 426.605 4.664 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CCN(C)C1CCCC1 1301351286 OSVIRYGBQOLPDH-UHFFFAOYSA-N 434.563 4.546 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1301618758 XUVPRESJOWJTMF-SIKLNZKXSA-N 426.630 4.896 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1Cc1cc(Br)cs1 1301958665 FFLCBEHLJPJMLV-GFCCVEGCSA-N 434.338 4.552 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccc(F)c(F)c1 1309418497 NWQLJQAPWRFAAW-HNNXBMFYSA-N 425.350 4.598 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@@H](CC)C2)cc1 1310129709 CADCWSAVIHUHAA-CVDCTZTESA-N 441.597 4.541 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCCSC3=Nc3ccccc3C(C)C)cc2C1=O 1347938382 LDYFHUXEZIRSLW-UHFFFAOYSA-N 447.560 4.859 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1coc2c1C(=O)NCCC2)c1ccc(C)c(C)c1 1351158944 UHDNQUXTLMOFNR-UHFFFAOYSA-N 444.531 4.984 30 10 IJEE C#CCSCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 1356254725 QJHIVKAKTBOPBS-GOSISDBHSA-N 439.433 4.637 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC1CCC(OC)CC1 1358876306 HKUJYQCYYDUXBG-LRYGQEGESA-N 432.515 4.600 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC(C)(C)N1CCCCC1 1359003567 PLOVLIOXQNKHNQ-LJQANCHMSA-N 439.673 4.855 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359100325 ZYPRQYVOIIMFPP-AAIMPIBUSA-N 442.579 4.565 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1CCCO[C@@H](C)C1 1359109381 YRZGQYRFUAGZRD-FQEVSTJZSA-N 437.588 4.595 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)Cc1ccccc1OC 1359125604 LOKNIDBPGBBNKI-SYYKKAFVSA-N 426.605 4.849 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1)c1ccccc1 1359194656 ZJEHOQHTDWXELL-GOTSBHOMSA-N 433.604 4.811 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359198335 OGBQVEMCAMIMJV-WPYSJIMHSA-N 438.616 4.988 30 10 IJEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cc(Br)cs1 1359242777 SKOXURGJTBOQSS-UHFFFAOYSA-N 442.386 4.845 30 10 IJEE C=CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1c(C)noc1C)C1CC1 1359246740 JQTYFINYTDPBCQ-QGZVFWFLSA-N 425.508 4.560 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCCCCC1 1359266978 QUCXBNBZDZCSHU-LJQANCHMSA-N 428.552 4.821 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1359283485 UPPFTOSUHZIZMO-JOCHJYFZSA-N 448.615 4.951 30 10 IJEE COc1ncc(Br)cc1COC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1435597419 GQOFEOWMAWAPCU-UHFFFAOYSA-N 439.265 4.874 30 10 IJEE C=CCC1(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)COC)CCCCC1 1436261016 UIVJJCVDHAMXGN-GOSISDBHSA-N 428.602 4.640 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1OCc1ccccc1 1441625337 OAQGCLSAFQNXJG-UHFFFAOYSA-N 439.515 4.946 30 10 IJEE C#Cc1ccccc1CC(=O)N(C1CC1)[C@H](C(=O)OCC)c1ccc(Cl)cc1Cl 1458961374 NLDDESJBURSWGD-QFIPXVFZSA-N 430.331 4.813 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccccc1F 1459349980 UZXJZHIOZCNMMU-UHFFFAOYSA-N 446.526 4.740 30 10 IJEE CC(=O)c1cc(C(=O)Oc2c(Br)cc(C#N)cc2Br)ccc1C 1461148921 LMKKTENWSXSOHY-UHFFFAOYSA-N 437.087 4.814 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNCc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 1461218371 HFBOYFFHQNQVKG-JOCHJYFZSA-N 435.568 4.951 30 10 IJEE CCOC(=O)c1c(NC(=O)C[C@H](C)Nc2cc(C#N)ccc2OCC)sc(C)c1C 1462069770 HTFFIBJOJNNLFH-ZDUSSCGKSA-N 429.542 4.641 30 10 IJEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc21 1462714900 KQDREANHBOORNE-KRWDZBQOSA-N 446.528 4.853 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 1463753999 SNIVYQMJSAZQNJ-LJQANCHMSA-N 434.399 4.821 30 10 IJEE Cc1cc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)nn1CCC#N 1466048742 IAVAOEJMHWKKMH-NRFANRHFSA-N 442.995 4.523 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 1466287359 LFZCKYNEIQQSJO-QAPCUYQASA-N 440.491 4.646 30 10 IJEE C=CCN(C(=O)N[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC)[C@@H](C)COC 1469064294 HVIVWQPHJRWDDM-AOMKIAJQSA-N 432.948 4.679 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](CC)[C@H](O)c2ccccc2F)cc1OC 1474026572 GCXRTCMBQQVYIP-AZUAARDMSA-N 438.337 4.763 30 10 IJEE C=CCNC(=O)c1ccc(NCc2cc(Br)sc2Br)cc1 1474172181 YTRULVTUDQHYQT-UHFFFAOYSA-N 430.165 4.801 30 10 IJEE CCOC(=O)c1c(NC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(C#N)cn1CC 1476760264 BPWYJRAPMDDGJI-OAQYLSRUSA-N 430.508 4.662 30 10 IJEE C#Cc1ccc(NC(=O)N2CCC(c3c(OC)cc(OC)cc3OC)CC2)c(Cl)c1 1477147010 KWXVPDIIESSURY-UHFFFAOYSA-N 428.916 4.759 30 10 IJEE C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2Oc2ccc(OCCC)cc2)CC1 1477803544 UYZXIUDYTYIIMW-BJKOFHAPSA-N 429.605 4.505 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H]1CCC2(CCOCC2)CO1)c1ccc(C(F)(F)F)cc1 1478273384 WRVMSOMAOXVLTR-PMACEKPBSA-N 440.506 4.988 30 10 IJEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 1478842752 CXBJIWDPCMVZLK-GCJKJVERSA-N 438.369 4.972 30 10 IJEE C=CCCC1(CNC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)CCCC1 1478966727 ZHPMMPQDHJJXHJ-IBGZPJMESA-N 432.008 4.651 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCCC[C@H]2C)cc1 1492436338 HQLURUNAZIJQOS-LEWJYISDSA-N 440.661 4.882 30 10 IJEE CSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1505227897 DVMSDANWQBAKLW-UFYCRDLUSA-N 440.661 4.515 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CC12CCOCC2 1507600200 CPLLIPDFFJUZIE-RTBURBONSA-N 442.991 4.574 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)c1nc(C)cs1 1507678984 FWMYRUTYUYMSMF-DOTOQJQBSA-N 427.549 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1507800289 UXFILGGKVHJAFN-IDVKNYFZSA-N 446.542 4.629 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCSCC(C)C)CC1 1507877485 IZHYXQMUQHXYES-UHFFFAOYSA-N 438.439 4.971 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCC(C)CC2)CC1 1507899477 JBEFUQGNSXFKKA-UHFFFAOYSA-N 425.596 4.999 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1507915531 CEDDMKSRMZFOGU-NHCUHLMSSA-N 428.577 4.901 30 10 IJEE C=CCCCn1c(N2CCC(Nc3cc(OC)cc(OC)c3)CC2)nnc1C(C)(C)C 1507953831 MQGZQLVAMWUUJX-UHFFFAOYSA-N 427.593 4.640 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCO[C@@H]1C(C)C 1507971823 COKQDOJGMDXNEF-RDTXWAMCSA-N 437.357 4.530 30 10 IJEE C=CCSCCn1c(N2CC[C@@H](C)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508167583 JRQJFMJJSMOJFF-AKHDSKFASA-N 449.665 4.593 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 1515597460 GBOOBRRBJUSZQH-XOBRGWDASA-N 445.441 4.512 30 10 IJEE COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1ccc(C#N)cc1C(C)=O 1521710858 CAWKRIMLMGCGBO-UHFFFAOYSA-N 434.473 4.685 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)c(OC)c1 1524172884 FEZGMIBBBDQWQS-UHFFFAOYSA-N 432.520 4.923 30 10 IJEE C[C@@H](C(=O)OCc1cc(Br)cc(C#N)c1)c1ccc(Br)s1 1524918564 AOOQCFBRWMXTGL-SECBINFHSA-N 429.133 4.992 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 1528836435 COTGPSJMCFSIQD-GOSISDBHSA-N 431.879 4.539 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1cn(CCCCC)nc1C 1538993914 UZTVFLGGXGKGIK-IBGZPJMESA-N 441.583 4.695 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1csc(C)c1 1539291969 YVMIXYJMSNVBAT-UHFFFAOYSA-N 432.593 4.780 30 10 IJEE C=CC[S@](=O)(=NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC)c1ccccc1 1539644817 CMYBHDXKVLXFHI-PKHCJMHPSA-N 444.553 4.501 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(NC(C)=O)cc1 1539678897 XIXKMYUNXWSOAM-FGZHOGPDSA-N 439.604 4.606 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1C 1539728726 CUVIMKOHAPSGAG-UHFFFAOYSA-N 444.377 4.573 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CC[C@@](C)(CC)C1 1539734828 ALLFQEUKWTUGNF-OAQYLSRUSA-N 433.394 4.927 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1539892044 QDPWFWPZVSQAJK-NFBKMPQASA-N 426.992 4.906 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2csc(I)c2)C(F)(F)F)cc1 1540105921 AXDKZUJIGPHWLF-ZDUSSCGKSA-N 436.192 4.794 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC(=C)Br 1540182424 RLNVZRDWHXNOGS-UHFFFAOYSA-N 438.329 4.553 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(C(F)(F)F)CC2)cc1 1540878438 XRWWAXFORUQVLP-UHFFFAOYSA-N 445.489 4.675 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 1542456029 AMOINWBVQMIWTA-UHFFFAOYSA-N 426.542 4.509 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1556558163 OCOHSIAUMSQLKE-XMSQKQJNSA-N 442.556 4.579 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C 1559315855 KZNZJTJAXODROB-QGZVFWFLSA-N 444.670 4.987 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCc2c(Br)ccc(Cl)c2C1 1559722859 FKKMINNTAQDDLF-HNNXBMFYSA-N 446.776 4.796 30 10 IJEE C=C(C)COc1cc(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1OC 1560312950 ZARRTCBQWCKTTG-LJQANCHMSA-N 431.374 4.781 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 1565810511 LRCTZQXKRJKFKW-DOTOQJQBSA-N 434.968 4.830 30 10 IJEE Cc1nc2cc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)ccc2n1[C@@H](C)CO 1569043334 CZRHNXLGXFBXFW-INIZCTEOSA-N 426.476 4.814 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1Cl 1583767712 FDSHNISKSYRPNB-UHFFFAOYSA-N 434.805 4.649 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 1585106419 TZEMDGFUULTPBI-JOCHJYFZSA-N 433.495 4.910 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[C@H](C)N1CCCCC1 1587562413 OULRAWDNFBCDOA-SLFFLAALSA-N 444.023 4.794 30 10 IJEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1587765129 AYCKRTAGNTVRMI-VXNXHJTFSA-N 436.600 4.580 30 10 IJEE C#CCCCCn1c([C@H]2CCOC2)nnc1N(Cc1cccs1)Cc1cccs1 1587765862 MAEZFEABNXMBRF-SFHVURJKSA-N 426.611 4.915 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1587827432 MHKVBRZATQDSAW-UHFFFAOYSA-N 435.616 4.540 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCO[C@H]1CCCC[C@H]1C 1587946386 ZKRLUCBGKVKMOV-BEFAXECRSA-N 449.368 4.511 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(SC)CC1 1588186643 ZOIBOFHVWLMPFV-UHFFFAOYSA-N 447.633 4.736 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N(CC)C1CCCCC1 1589109510 DBJIXDWMPTYQGH-UHFFFAOYSA-N 426.630 4.999 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1589296604 VITPHUWOLUCNGI-JQFCIGGWSA-N 435.341 4.701 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1594472709 HPMXFHQPUJUIAU-XMMPIXPASA-N 445.007 4.975 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CNC(C)=O)C1 1594477662 HMWRTVSUZQWRON-SFHVURJKSA-N 429.996 4.553 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccs2)CC1 1594497556 JBYSKAJLGQPFCL-HXUWFJFHSA-N 429.634 4.506 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1594738761 GINVIXRFKJRSGI-OAQYLSRUSA-N 437.632 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC(C)(C)C)nc1 1595190512 DAKOEUZLEZRUGY-UHFFFAOYSA-N 438.963 4.793 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1595324089 UJICWIYHZIGBBD-KRWDZBQOSA-N 434.569 4.743 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)OCc3cccc(Br)c3Cl)C2)c(F)c1 1596960657 FTZKZFQAOOPVOP-CYBMUJFWSA-N 437.696 4.683 30 10 IJEE CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(Br)c(C#N)c2C)cc1 1598248253 RCCUVSPHIKQWAZ-UHFFFAOYSA-N 429.314 4.558 30 10 IJEE CC1(C)CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C#N)C1 1611768960 GZHJDBMQNZQDIR-CJFMBICVSA-N 432.572 4.685 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C 1616400100 WWKWQNVRWHPJQZ-UHFFFAOYSA-N 436.581 4.821 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC(C)(C)C)c2ccccc2)cc1 1622885896 QHOXRAXDGJJRDY-OAQYLSRUSA-N 429.586 4.792 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1625547518 CMDRDRQUDRBIMQ-WAOWUJCRSA-N 434.527 4.981 30 10 IJEE N#Cc1cc(NC(=O)N2CCc3c(Cl)ccc(Br)c3C2)c(F)cc1F 1627092519 FUAIHAIHLPJGIY-UHFFFAOYSA-N 426.648 4.843 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNC(=O)c1cccc(F)c1)c1ccc(C)c(C)c1 1627425116 AXNZKXHWXOZIOQ-UHFFFAOYSA-N 446.522 4.971 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)C1 1628820946 VTPAYBURXKFIPO-NVXWUHKLSA-N 440.506 4.745 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(-c4ccccc4)c3C(C)C)n[nH]2)c1C 1640107139 MMRGAMXILQNYHW-UHFFFAOYSA-N 429.528 4.637 30 10 IJEE C=CCn1c(SCCOc2ccccc2C#N)nc2sc3c(c2c1=O)CCCCC3 1643346502 GRJATFXMFNKKJD-UHFFFAOYSA-N 437.590 4.956 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(C#N)c(Br)c1F)C2 1651692828 NPHKMIKLMCSMKR-UHFFFAOYSA-N 438.341 4.687 30 10 IJEE C=CCn1c(C)cc(C(=O)CSc2nnc(N3CCCCC3)n2-c2ccccc2)c1C 1651696303 CTAGFNKYTUMZKU-UHFFFAOYSA-N 435.597 4.837 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)nnc1-c1cccs1 1651856572 KWSGJNXHURWMOA-INIZCTEOSA-N 434.949 4.883 30 10 IJEE C=CCN(C(=O)CN(C)CCOCC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1653005196 VULWNLLWKJKNCA-UHFFFAOYSA-N 428.385 4.604 30 10 IJEE C#CCOCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCCOC 1655992106 CDKHKJKVBKINCY-UHFFFAOYSA-N 448.997 4.557 30 10 IJEE CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccc(Br)c1C#N 1666675964 HBJLTBKSRPAMFF-ZDUSSCGKSA-N 433.327 4.839 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl 1668728057 HZLBQBMKPBEGCW-JOCHJYFZSA-N 444.934 4.863 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 1668996588 PTHZCDNSKLESOV-FQEVSTJZSA-N 440.515 4.874 30 10 IJEE CC(C)(C)c1cc(NC(=O)NC2CCC3(CCOCC3)CC2)n(-c2ccc(C#N)cc2)n1 1671797455 AURGZWJXIVDFCF-UHFFFAOYSA-N 435.572 4.902 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c2ncccc12 1673123140 BIFDLMHZWFLFSV-UHFFFAOYSA-N 439.313 4.549 30 10 IJEE C#C[C@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)C1CCOCC1 1674590137 INUALLFJSYFYLH-NRFANRHFSA-N 432.351 4.529 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 1677866678 JGORDEOGLVYGDF-FQEVSTJZSA-N 429.358 4.651 30 10 IJEE C=C(CNC(=O)N[C@H](C)CCc1ccc(I)cc1)c1ccccc1 1682022317 YCLMQVMSPMDHGI-MRXNPFEDSA-N 434.321 4.625 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cccc2oc(C)nc12 1687517860 KBZBQPZGDFRACZ-UHFFFAOYSA-N 446.320 4.978 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(F)cc1F 1689835047 FHTDTTDBWHZFFW-CABCVRRESA-N 426.536 4.916 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(C(C)(C)C)no1 1689835314 KAYDFQZPGDIJES-JKSUJKDBSA-N 437.613 4.923 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1690178983 JVUAESFBJUUWQO-INIZCTEOSA-N 426.586 4.560 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)c1ccccc1 1690186035 KVWFNRSAPHIIGL-KSEOMHKRSA-N 440.657 4.803 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1cnccc1OC 1690198337 KXJUTIHAMGOZAH-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC[C@H]2OC)CC1 1690368715 IZZLQAXIJLUCSR-DNVCBOLYSA-N 449.368 4.818 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1OCCC1(C)C 1690568031 YISZMMOYSQXEQH-OAQYLSRUSA-N 437.613 4.642 30 10 IJEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1690683625 PWKAVZSMCMXFMW-JOCHJYFZSA-N 437.632 4.546 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)C12CCC2 1696189666 GKZDUBNKLVGJBW-FCHUYYIVSA-N 437.588 4.559 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCSC(F)(F)F 1705606777 FOWXWLUNXRGZLY-ZDUSSCGKSA-N 428.549 4.844 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccc(F)cc1)C(C)C 1705655550 GTOMYNDOQATWJV-UHFFFAOYSA-N 443.979 4.914 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1(N(C)C)CCC1 1705668079 DFQRMTJZBLEICE-WZONZLPQSA-N 442.007 4.548 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C2CCC1(C)CC2 1705681817 GPZOMBGEUMOIGN-UHFFFAOYSA-N 439.304 4.976 30 10 IJEE C=C(Br)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)CC[C@@H]1C 1705690015 HXZFNCRLOQCATH-HOCLYGCPSA-N 428.378 4.884 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1C2CCC1(C)CC2 1705733540 VHAWOKUWUZJIKV-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705758663 CLIKRDRTLLEGLC-VQTJNVASSA-N 444.023 4.714 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCCS(C)(=O)=O)CC1 1705765503 PDQQGFBVSKCFRI-UHFFFAOYSA-N 444.645 4.614 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705813370 FEBGRBBNHHSPIK-QGZVFWFLSA-N 448.970 4.726 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCO[C@@H]1CCCC[C@@H]1C 1705836661 AWYFRHRYKSIGTP-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2C)CCOCC1 1705838227 HKDXNOMGMVAJOO-UHFFFAOYSA-N 437.975 4.673 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@H](F)C1 1705863776 FUFSBJKNQUZXKU-PWHSHALESA-N 448.608 4.711 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1705872012 ICOOWTMYZIQERW-UHFFFAOYSA-N 442.498 4.893 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(C)(F)F)C1 1705915353 JXJKPRQIVWCLKM-OALUTQOASA-N 434.531 4.862 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCc2nc(C(C)(C)C)cs2)C1 1705924858 GSWWWFJWLFNHFJ-SFHVURJKSA-N 429.634 4.714 30 10 IJEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC(C)(C)C)CC1 1705942473 UCLWWPFVRBDNKN-UHFFFAOYSA-N 445.589 4.556 30 10 IJEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1705949515 AYNIMLZWMXJBSC-QZTJIDSGSA-N 433.647 4.506 30 10 IJEE CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)c1nccs1)C(C)C 1706494673 DVYFONLZWGLTRJ-GOSISDBHSA-N 438.601 4.860 30 10 IJEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nc(C(C)(C)C)cs2)cc1 1708908503 HDKRHRVVRNLXPQ-HSZRJFAPSA-N 438.576 4.752 30 10 IJEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(COC)CCC2)C1 1709269137 BPBTVRGURAWFPV-FQEVSTJZSA-N 437.588 4.562 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CCCOCC2CC2)CC1 1722560564 DGKNXCDTITXPIT-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)c2c(C)noc2C)CC1 1722562604 FXMZEGOLLBCXQU-INIZCTEOSA-N 437.544 4.527 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2c(CC)noc2C)CC1 1722575314 FKBPQSCDLHUIDW-UHFFFAOYSA-N 441.963 4.917 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722587444 OTSLBUSUZOXENU-DFBJGRDBSA-N 437.588 4.651 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC(F)F)CC1 1722602279 VOAPLHYLUWIAQB-UHFFFAOYSA-N 444.357 4.995 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](OCC)C1 1722623465 FVAKCXYTNBWLQB-QFIPXVFZSA-N 426.605 4.841 30 10 IJEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCCCC2)CC1(C)C 1726603052 BHAWCOXLVDAEKL-FQEVSTJZSA-N 434.632 4.954 30 10 IJEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(=Cc2cccc(OC)c2)CC1 1740576474 YBNHXAXCHKTISM-QHCPKHFHSA-N 434.584 4.668 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCOC(C)(C)[C@@H]1C 1740754879 WOTSPFKHPVVOOC-IZBOUPIGSA-N 438.616 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(Cc1ccc(F)cc1)C(C)C 1740756067 FJKPBGJZAJYMGI-REWPJTCUSA-N 437.563 4.819 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1740776879 FETXIJHNYQCMID-ZVDOUQERSA-N 429.634 4.677 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1740863771 FSFXYISZMXNOBX-QHCPKHFHSA-N 435.572 4.795 30 10 IJEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1Cc1nc2cc(Cl)ccc2s1 1740942433 PJONJRXGWGPRCB-UHFFFAOYSA-N 446.020 4.961 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccs2)N2CCCC2)C1 1740979020 ATDBNBLAPRADIM-UXHICEINSA-N 443.661 4.547 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCCc1cc(OC)ccc1OC 1743640603 HYLRWUIJIVYEHG-GOSISDBHSA-N 425.577 4.572 30 10 IJEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)c2cccs2)C1 1745681286 FYKWQWZWTSXFSR-AZUAARDMSA-N 434.613 4.808 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccnc(SC)c1 1748651766 PZZTYELNAYDGBR-MRXNPFEDSA-N 437.638 4.899 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCc1sccc1C 1748656563 SUQTWGLOHSBSNE-CQSZACIVSA-N 447.377 4.917 30 10 IJEE C#CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H](C)CCSC 1748738549 HUKPNZRCLWFOOK-CQSZACIVSA-N 439.398 4.838 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@@H]1CCSC1(C)C 1748781149 ZNDNRDYFZIVUNE-IBGZPJMESA-N 442.629 4.734 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(C)ccc1F 1749129115 AYOZDZGVMJTRDF-BWAGFHJFSA-N 428.552 4.585 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1749284127 GATRLNJNRHFLNZ-XMTFNYHQSA-N 425.017 4.589 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749393256 PQZQYWFVONTHJD-LJQANCHMSA-N 431.968 4.670 30 10 IJEE C=CCCCn1c(COc2ccccc2F)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1749438025 OZTLOGWAUZZFRL-FXAWDEMLSA-N 439.362 4.983 30 10 IJEE C=CCCCn1c(N2CCc3ccccc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749439903 MJOAUNKNWQWJMU-OYRHEFFESA-N 437.588 4.578 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](Cc1ccccc1)OC)C1CC1 1749527641 LQLZVFJREAJENX-DNVJHFABSA-N 438.616 4.609 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749621930 IVLOSCGFWDCADN-UHFFFAOYSA-N 449.411 4.838 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCSC(F)(F)F 1751261153 COTFICHCMYOAPW-CHWSQXEVSA-N 431.459 4.549 30 10 IJEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](CC)c1ccccc1 1752727924 DTMBFLDKKIKUJK-ROUUACIJSA-N 430.556 4.520 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 1760153452 RJPXZYXKLVCCRJ-NRFANRHFSA-N 448.615 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1CCCOC(F)F 1760289313 LXNOPVIRGNWRRB-JOCHJYFZSA-N 434.556 4.897 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCO[C@H](C)C1 1760330885 FTUXVIRUFUCIQK-HUUCEWRRSA-N 439.423 4.987 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)N1CCCC1 1760339415 HPGBPISJJMOUPR-HXUWFJFHSA-N 425.602 4.763 30 10 IJEE C=C(Cn1c(CC(C)C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccccc1 1760362987 BHBHLRAOUBNIKR-JOCHJYFZSA-N 436.522 4.720 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1)c1ccccc1 1760363081 DRVAUBYLJNIEJL-HXUWFJFHSA-N 437.613 4.923 30 10 IJEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1760391493 FMHSAOWUBIXKBV-ATIYNZHBSA-N 437.632 4.567 30 10 IJEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2cccc(C)c2)CC1 1760391787 QYZDNQKATDHXSM-LJQANCHMSA-N 435.597 4.538 30 10 IJEE C=CCCCn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760442699 GMJAEOAUFDKFOI-UGKGYDQZSA-N 438.597 4.894 30 10 IJEE C=CCN(c1nnc(CC2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 1760476130 HMWHTJWYTDPPSD-FQEVSTJZSA-N 443.636 4.813 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1760481794 HURWFILWZSBFCL-GOTSBHOMSA-N 444.627 4.901 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1Cc1nc2cc(Cl)ccc2s1 1760496216 MOJIXRMBIYTYOK-UHFFFAOYSA-N 436.972 4.754 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCC(C)(C)C2)C1 1760536653 DPPRCVQKIKIGLG-NRFANRHFSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@](C)(C#N)C1 1760569438 OOMNCDHPGUSMHM-HSZRJFAPSA-N 425.602 4.523 30 10 IJEE Cc1csc([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)n1 1762214110 DDKDVQRUZXTSMC-DLBZAZTESA-N 436.585 4.534 30 10 IJEE COC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OC(C)C)CC2)CCCCC1 1769762030 DYWDTBGTFIKKBD-UHFFFAOYSA-N 437.588 4.560 30 10 IJEE CS[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCC(C)C)C1)C(C)(C)C 1771397904 GNRKKJGPRXRZSX-LEWJYISDSA-N 441.645 4.846 30 10 IJEE C#C[C@@H](NC(=O)NCCc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 1772509800 UMFDCCPCWUJUDV-QGZVFWFLSA-N 426.141 4.972 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=NN=Cc2cccs2)N1Cc1ccco1 1772756740 BONCIBYGNYEWES-KLAVOZPOSA-N 438.490 4.756 30 10 IJEE CCCCCCCCCCn1cc(O[C@H](C(=O)O)c2ccccc2)c(=O)cc1C(=O)O 1857891557 XAGUMKCADDVKER-QFIPXVFZSA-N 429.513 4.892 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccn(CC(C)C)c1=O)[C@H](C)CC 1861288460 CGTQIJNCVBUBGZ-GGAORHGYSA-N 447.664 4.906 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1ccc(Br)cc1)c1cccc(Cl)c1 1862452995 OSFCXNCXAXGGPZ-QGZVFWFLSA-N 432.701 4.843 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1cccc(O)c1 1862457214 KYWWNXSYMJSTNR-FQEVSTJZSA-N 433.426 4.968 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 1862598747 YZANABOYVHCKIP-QHCPKHFHSA-N 447.462 4.709 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccc(O)c(OC)c1 1862653630 SZGICZKRRRTNKV-NPMXOYFQSA-N 431.488 4.931 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862656817 ODPVKYYYNFVHKF-HXUWFJFHSA-N 437.879 4.806 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(C)C)cc1 1862677409 BEOGXTDFJIZGMR-QFIPXVFZSA-N 425.500 4.954 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1 1862693634 PUEOXZUIPYRZIA-BFUOFWGJSA-N 444.325 4.835 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 1862722691 XDBMBLRQOMJNSL-XMMPIXPASA-N 427.500 4.968 30 10 IJEE COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccc(F)cc3)C2=O)cc1Cl 1862750473 XSGOEVCDEZNXLD-UHFFFAOYSA-N 447.853 4.756 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCCOC)=C(c2ccccc2OC)C1=O 1863765937 DZVOEMCXZPTNLW-UHFFFAOYSA-N 430.589 4.542 30 10 IJEE CCCCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1ccccc1 1864004634 ZLFKSAGXGBWYML-NRFANRHFSA-N 438.616 4.934 30 10 IJEE CC(C)(C)CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(Cc3ccccc3)n2)CC1 1868220067 TWKSWUZYBSGPGR-UHFFFAOYSA-N 440.595 4.851 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(C)(C)c1ccc(C)cc1 1868731370 HECHBUXWOJGKGO-RUZDIDTESA-N 448.607 4.687 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CSc2ccccc2)n(-c2ccccc2Cl)n1 1870004119 VKGZQDRGBYTALH-UHFFFAOYSA-N 439.972 4.830 30 10 IJEE Cc1cc(OCCCC(=O)Nc2c(C#N)nnn2-c2ccc3cc[nH]c3c2)cc(C)c1Cl 1870144836 LUJAWQMPBHHJFE-UHFFFAOYSA-N 448.914 4.688 30 10 IJEE CCCCCCCOc1cn(CCN2C(=O)CSC2=O)c(CSC(C)C)cc1=O 1870259632 ASTARQCBVMQTDA-UHFFFAOYSA-N 440.631 4.535 30 10 IJEE COC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2F)C4=O)cc1 1871345820 QGZVRDFGWXSNHX-FMCGGJTJSA-N 445.446 4.581 30 10 IJEE COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCOc2ccccc2)CO3)C1=O 1871346535 LEWATVCKJWYMFW-IWIPYMOSSA-N 429.472 4.542 30 10 IJEE Cc1cc(O)c(CN2CCc3ccccc3C2)c2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871394555 DLIPVQMAVBVSJF-QRVIBDJDSA-N 442.471 4.783 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 1871869919 QHMSVNSGKNKHCD-CQSZACIVSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871941305 WVFKWXRWPYTQPX-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872353673 POQDJKRAHORIFO-MRXNPFEDSA-N 440.487 4.526 30 10 IJEE Cc1ccc(C)c(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c1C 1872773081 KQIVPXHYSPNGAT-GOSISDBHSA-N 434.517 4.762 30 10 IJEE COc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OCc1ccccc1Cl 1873499644 GQDUAEFEVYIIMV-NUGSKGIGSA-N 442.850 4.709 30 10 IJEE C=CCn1c(C(=O)NCCCOCCCC)cc2c(N(CCC)CCCC)ncnc21 1873593986 KOWGKQDQZJFRHQ-UHFFFAOYSA-N 429.609 4.570 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCCCCC2)ccc1Cl 1873771461 WSAGQDGZCHCEKQ-UHFFFAOYSA-N 442.943 4.939 30 10 IJEE CCCCCCCCCCNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O 1873936410 GHVSFMQGXMPKFG-HXUWFJFHSA-N 435.996 4.798 30 10 IJEE Cc1cccc(/C=N/n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccccc2)c1 1874410782 KRJHVQUVGJDYDV-BUVRLJJBSA-N 447.589 4.852 30 10 IJEE COC(=O)c1ccc(/C=N/n2c(CC(C)(C)C)nnc2SCCc2ccccc2)cc1 1874438867 XMEAOCAMNPCFQF-KOEQRZSOSA-N 436.581 4.870 30 10 IJEE COCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccc2ccccc12 1874471872 BGIXRWWGCMOWGE-BUVRLJJBSA-N 447.520 4.703 30 10 IJEE CCCOc1cccc(/C=N/n2c(CCOC)nnc2SCc2ccccc2F)c1 1874472420 DWJAMTZEGVZTFS-BUVRLJJBSA-N 428.533 4.569 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)(C)C)n1/N=C/c1ccc(F)cc1 1874482010 UUGMICPJQJQYEO-DHRITJCHSA-N 439.560 4.945 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(C(C)C)cc1 1874487344 BPOKVZZMUYXEMN-FSJBWODESA-N 442.614 4.670 30 10 IJEE CCCOc1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2C2CC2)cc1 1874516624 FYXCLYVFELBWJK-BUVRLJJBSA-N 435.553 4.557 30 10 IJEE CCCCCOc1ccc(/C=N/n2cnnc2SCc2ccc(C(=O)OCC)o2)cc1 1874536866 AFFUFCKVZCSZQP-ZVHZXABRSA-N 442.541 4.791 30 10 IJEE C[C@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 1874594645 VHLLOLBYEIEUKA-KAPURRDVSA-N 430.460 4.747 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)COc3ccccc3OC)c2)cc1 1874697165 UQBIGNLLLLORRM-RIYZIHGNSA-N 448.471 4.593 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)c1cncc(C)c1 1875121087 YPBOFHQXNWQUII-QPJJXVBHSA-N 439.414 4.801 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c2)c1 1875172447 UXNJOKIVBISPEN-CSKARUKUSA-N 443.452 4.612 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCc3ccc(C)cc3)ncnc2n1Cc1ccco1 1875237654 VCVNCOKVSAQLDI-UHFFFAOYSA-N 441.535 4.807 30 10 IJEE CC(C)N1C(=O)CS[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1c1ccc(C#N)cc1 1890861403 HATVUGIAWKEALG-UXHICEINSA-N 447.482 4.609 30 10 IJEE CC[C@@H](C#N)SC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892307871 VWLSMXDEORJSFB-YCRPNKLZSA-N 438.549 4.792 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCc2c(Br)cccc21 1922075211 UTLBDHZJAAOQTF-GOTSBHOMSA-N 430.386 4.724 30 10 IJEE C#Cc1ccc([C@@]2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1 1951680487 BWFBVZRYSIHUKU-MUUNZHRXSA-N 437.495 4.645 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(CNC(=O)OC(C)(C)C)CCCCCC1 2124457606 JHCMLBXWPILWCB-UHFFFAOYSA-N 429.399 4.775 30 10 IJEE CCN[C@@H](CC#C[Si](C)(C)C)[C@@H](O)c1cc(Br)c(Br)s1 2187470046 FRDWFJGRENJGQD-WCQYABFASA-N 439.289 4.556 30 10 IJEE CC1(C)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCCN1Cc1ccccc1 2219965052 XPJLKQDYAKZHDF-UHFFFAOYSA-N 440.462 4.534 30 10 IJEE CCc1ccc(C#C[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1 2223358525 GINUTRCFOPMDSM-YNJKOYDBSA-N 436.596 4.687 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1cc(Br)nn1C(C)C 2224276711 KIZRPXJXTDYIFB-WMLDXEAASA-N 429.403 4.737 30 10 IJEE C#C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2243918270 DCQPJBXHRCTSHF-IZZNHLLZSA-N 444.575 4.858 30 10 IJEE C#C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 2243918271 DCQPJBXHRCTSHF-UIOOFZCWSA-N 444.575 4.858 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1cc(OC)c(Br)s1 2278356026 AUGKDRSAFDTYOY-CJNGLKHVSA-N 445.423 4.867 30 10 IJEE CC1(C)OB(c2ccc(F)c(C(=O)Nc3cccc(OCc4ccccc4)c3)c2)OC1(C)C 2281776235 PIKVIUBKJSLRTK-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC1CC2(C1)CC(NC(=O)OC(C)(C)C)([C@@H](O)C#Cc1ccccc1Br)C2 2289297194 RFTGOUBDXCEWPP-WHYIANOMSA-N 434.374 4.635 30 10 IJEE C=CCN1C(=O)C(=Cc2cccc(OCCOc3cccc(OC)c3)c2)SC1=S 2293579782 JOHZMWWBJGKGFV-UHFFFAOYSA-N 427.547 4.540 30 10 IJEE CC(C)(C)OC(=O)N1Cc2cccc([C@@H](O)C#Cc3cccc(Br)c3)c2C1 2296219791 RKCSIDCJBBURQG-FQEVSTJZSA-N 428.326 4.785 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)C#Cc3cccc(Br)c3)CCC[C@H]21 2296223224 ZZEOXLJFAPHHFD-GUDVDZBRSA-N 432.358 4.795 30 10 IJEE O=C(C#Cc1ccc(Br)cc1)[C@@H](O)c1sc(Cl)cc1Br 2296271880 GSQGXRRIWNXMFG-CYBMUJFWSA-N 434.536 4.581 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CCC12CC(CN1C(=O)OC(C)(C)C)C2 2296300052 CGRLOGIRJJNABP-IMYXXEESSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)N[C@@](C)(C1CCCCC1)[C@@H](N)C#Cc1ccc(Br)cc1 2296310855 OSKKRIDQZOJRMI-UGKGYDQZSA-N 435.406 4.992 30 10 IJEE O=C1C(=Cc2ccc(Br)cc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 2296596610 XBOGQYLMSWPHOU-UHFFFAOYSA-N 449.304 4.812 30 10 IJEE CN[C@H](C#CCSC)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2314695590 WHSBOMGVBREIIZ-SHQCIBLASA-N 447.600 4.832 30 10 IJEE CC#CCN(CC(=O)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2316027769 XGSAQQXCCBVIPV-UHFFFAOYSA-N 428.754 4.783 30 10 IJEE CCN(CC)CCCN1COc2cc(C)c3c(c2C1)OC(=Cc1ccc(OC)cc1)C3=O 2322114820 AMCPDAOUXMTDFI-UHFFFAOYSA-N 436.552 4.504 30 10 IJEE CCOc1ccc(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1OC 2322238503 GWTDQQHHZUIQSJ-UHFFFAOYSA-N 446.960 4.521 30 10 IJEE CCCCCCOc1c(OC)cc(C=NNC(=S)Nc2ccccc2)cc1[N+](=O)[O-] 2323047757 YMXVAGAYBJUTPC-UHFFFAOYSA-N 430.530 4.883 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccc(OC)cc2)C3=O)cc1 2323075915 OXYYPKBBEVIRDI-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE Cc1cc(O)c(CN2CCC[C@@H](CO)C2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2324209926 MYWHFJRHEGRYIA-CQSZACIVSA-N 448.346 4.828 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3ccc(C(C)=O)cc3)ccc2C1=O 2324982617 GJMQKFFBWZZUBW-UHFFFAOYSA-N 443.455 4.532 30 10 IJEE COc1ccc(Br)cc1C=C1Oc2cc(OC[C@@H]3CCCO3)ccc2C1=O 2325684146 QKFAQDNOCPMHOA-INIZCTEOSA-N 431.282 4.632 30 10 IJEE Cc1ccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SCCCO)cc1 2326418174 RDDFTIXXQZGEFB-UHFFFAOYSA-N 438.597 4.572 30 10 IJEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1cc(Cl)ccc1O 2329189883 RAWRFIRICMNKON-UHFFFAOYSA-N 428.945 4.809 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(C)cc2)o1 2330668086 XXOWTYDJSKMEDG-UHFFFAOYSA-N 432.505 4.808 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(Cl)cc1 2331319659 VAVLYSZRCURIAV-UHFFFAOYSA-N 427.961 4.887 30 10 IJEE CCCCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(Cl)cc1 2331339865 CLEFOAQUJVYDJG-UHFFFAOYSA-N 434.009 4.697 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2331382791 JCLDRYFUIDEQBB-UHFFFAOYSA-N 440.485 4.567 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)Cc1ccc(F)cc1 2331405009 FHYLBANKBVHSGH-UHFFFAOYSA-N 448.446 4.650 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cncc(C)c3)c(OC)c2)c(OC)c1 2331729887 AFTOPTBXWGAVOW-UHFFFAOYSA-N 433.460 4.531 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C12CCC2 2339602065 FPNNIMZRKLVAEK-SFHVURJKSA-N 442.365 4.647 30 10 IJEE Cc1cc(CN[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2343597657 XGFJQDPOTVHAGU-DNQXCXABSA-N 435.417 4.768 30 10 IJEE N#Cc1ccc(COCc2ccc(I)c(Br)c2)cc1 2350077801 YIKQBLZZZPHHHW-UHFFFAOYSA-N 428.067 4.642 30 10 IJEE C=CCC(CC=C)[C@H](NCC)[C@@H](O)c1sc(Cl)cc1I 2366641762 KIZURNSDARGKGZ-UONOGXRCSA-N 425.763 4.786 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472963 XFHFTPYGLDHCSR-WHSLLNHNSA-N 445.928 4.539 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OCC)cc1 14655594 NEGNUZIYUYWUCV-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 39839984 DNYOYUUSXGXNGG-HYBUGGRVSA-N 445.515 4.699 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(N(C)C)cc1 40085945 CMIFUYJIXOSALD-HSZRJFAPSA-N 436.552 4.838 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)cc1 59019577 HFGYTELXLIBQPF-ZVBGSRNCSA-N 435.340 4.597 30 10 IJEE CN/C(=N\c1cccc(C(F)(F)F)c1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 59446376 XHOUAKILPMCYAB-HNNXBMFYSA-N 441.862 4.631 30 10 IJEE CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)S/C1=N/c1nc(-c2ccccc2)cs1 101130341 PJFXKAKZGMMVPK-DWWUSXHISA-N 432.530 4.756 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccn2)cc1 169994975 LXSKQOWWNKPVGK-NRFANRHFSA-N 434.879 4.917 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccncc2)c1 170024988 MWHYIXIBAYYRDR-QHCPKHFHSA-N 430.479 4.659 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(C)c3)=C(O)C(=O)N2CCOC(C)C)cc1 170027734 KBDJZFWXDQIJQP-QHCPKHFHSA-N 437.536 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(OC)c3)[C@H]2c2ccc(F)cc2)cc1 170060726 UDWMFIFSMKFPAQ-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2cccc(O)c2)c1 170080713 DZOKRPMZGJEHQE-QHCPKHFHSA-N 429.472 4.801 30 10 IJEE COc1ccc(C2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170159621 LBNOGZSZYKJAAF-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccs2)cc1C(C)C 170164082 OEUKZAWZLWMMMJ-OAQYLSRUSA-N 443.565 4.885 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccn1 170174672 AFHPTEMXYMIGGJ-XMMPIXPASA-N 440.499 4.752 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2cccnc2)cc1 170190416 XBPCYFKHBGZTHQ-QHCPKHFHSA-N 428.488 4.880 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccncc2)c1 170212350 NEZDJEYZJSQOCU-QHCPKHFHSA-N 446.478 4.788 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 170231220 VHPODXCTMACEHJ-HSZRJFAPSA-N 428.488 4.649 30 10 IJEE Cc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1C 170276481 SNNSQELBOIQNJD-HSZRJFAPSA-N 434.580 4.741 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccco1 170281924 HSNANLUIWSXBKR-FQEVSTJZSA-N 439.414 4.966 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)o2)c1 170297863 UMPZWOIOZFHEBQ-NPMXOYFQSA-N 445.471 4.703 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1c(C)[nH]c2ccccc12 170311567 XGBCKXFBHNYEIM-XMMPIXPASA-N 440.499 4.854 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(O)c1)c1ccncc1 170386021 OJDFYYOJMJRMGH-LJQANCHMSA-N 441.270 4.877 30 10 IJEE CCCOc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(N(C)C)cc1 170445554 UGEVNXCKDCNTCE-QHCPKHFHSA-N 446.503 4.917 30 10 IJEE CC(C)COc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(O)cc2)cc1 170450610 OKZWVHMJOLBTBK-DEOSSOPVSA-N 437.536 4.938 30 10 IJEE C#CCOc1ccccc1CNc1cc(Br)ccc1I 380081281 ANHGCYGIMAMVOT-UHFFFAOYSA-N 442.094 4.678 30 10 IJEE COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)NCC1CCC(C#N)CC1)CC2 442720107 JYNRQTDMPNMHBN-BRVOVERQSA-N 433.552 4.691 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)nnc1-c1ccco1 480505550 NSYHZZPBWOOPFA-LJQANCHMSA-N 440.544 4.579 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 503056020 GLJAVLMUKDNDGG-MWTRTKDXSA-N 425.554 4.616 30 10 IJEE C=CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 508460524 CXRIDPYVANUFME-LJQANCHMSA-N 430.487 4.704 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 508904357 SYBMESLIQBTOQU-PKOBYXMFSA-N 426.952 4.604 30 10 IJEE C=CCn1c(SCC(=O)N(C)CCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 511628127 XPRKAELJZQZOJH-UHFFFAOYSA-N 444.963 4.717 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 514878778 ZWHLOYOIDSFYNC-MRXNPFEDSA-N 446.477 4.585 30 10 IJEE Cc1ccc(SC2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 526662516 CUSIAHGKWJHKOX-UHFFFAOYSA-N 436.496 4.728 30 10 IJEE N#Cc1cccc(CC(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1 547426527 IVKFXRHZWCABNM-GOSISDBHSA-N 442.359 4.738 30 10 IJEE C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 555249700 XQSOJBNSSIIQQD-HSZRJFAPSA-N 429.568 4.674 30 10 IJEE N#Cc1cccc(C2(NC(=O)CSc3nnc(-c4ccco4)n3C3CCCCC3)CC2)c1 557203575 KLEKDXLSLHUVAF-UHFFFAOYSA-N 447.564 4.813 30 10 IJEE C=CCC1([C@H](Cc2cc(Br)ccc2F)NCC)CN(C(=O)OC(C)(C)C)C1 722923451 RLPNQJAQXVIUOQ-SFHVURJKSA-N 441.385 4.922 30 10 IJEE Cc1noc(C)c1COc1ccc(CC(=O)OCc2cc(Cl)ccc2OCC#N)cc1 735333063 PLDUNJBUCOMOBU-UHFFFAOYSA-N 440.883 4.712 30 10 IJEE C=CCn1c(COc2ccccc2)nn(CN2C[C@H](c3ccccc3)O[C@H](C)C2)c1=S 764915911 SRFFDQWOFRWGIT-DENIHFKCSA-N 436.581 4.599 30 10 IJEE COc1cccc2[nH]cc(CCNC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)c12 778497084 GHXZMIXVMSEXAR-UHFFFAOYSA-N 441.535 4.543 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1csc(Cc2cccc(F)c2)n1 780304939 BBIRLUBMKLVQHA-LJQANCHMSA-N 435.524 4.959 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 789116531 IWBMRFQNXZHRJX-FTJBHMTQSA-N 426.564 4.909 30 10 IJEE N#CCC1(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)CC1 797563542 MTPPWURQGVMJNP-FQEVSTJZSA-N 431.458 4.644 30 10 IJEE CC(=O)Nc1cccc(N=c2scc(-c3cnccn3)n2CC2CCC(C#N)CC2)c1 803178279 RHZZCUFVKPRDJX-UHFFFAOYSA-N 432.553 4.527 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](C)[C@@H]1c1cccc(F)c1 809920870 FUAQBVGBGZYNBP-FDDCHVKYSA-N 449.530 4.617 30 10 IJEE CC(C)(C)c1ccc(/C(O)=C(/C(=S)Nc2ccccc2C#N)[n+]2cccc(CO)c2)cc1 917612698 CHVSKSSNEJOLLE-UHFFFAOYSA-O 444.580 4.959 30 10 IJEE O=C1[C@@H]2[C@@H](C(=O)N1N=Cc1ccc(OCc3ccc(Cl)cc3Cl)cc1)[C@H]1C=C[C@H]2C1 1083977356 HHYJFDVMDIHQTN-PBFVBANWSA-N 441.314 4.713 30 10 IJEE COc1cc(C=Nc2ccc(Br)cc2)cc(I)c1O 1084425091 CHCXDULQNKDNOS-UHFFFAOYSA-N 432.055 4.519 30 10 IJEE C[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1cccc(Cl)c1Cl 1126316572 CSKNBVXDGWCRRB-SNVBAGLBSA-N 428.113 4.884 30 10 IJEE C=CCN(C(=O)c1cc2c(C(C)C)nn(C)c2s1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003171 JDXWFXKLCDKVMK-IBGZPJMESA-N 439.581 4.561 30 10 IJEE C=CCN(C(=O)[C@@H](C)c1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)OCC 1128110883 FVLIGEGKOWOWRS-LAUBAEHRSA-N 444.369 4.742 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2cnc3ccc(C)cc3c2)nnc1-c1ccco1 1129655533 JKOFYVLABHGJTD-UHFFFAOYSA-N 434.521 4.806 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1161580623 ORHIQQFQBLLIDN-VWNXMTODSA-N 445.563 4.696 30 10 IJEE C#CCN(c1cc(Cl)nc([C@@H]2CCCO2)n1)[C@H]1CCOc2ccc(Br)cc21 1162525362 RGGDECQMBPWQSD-RDJZCZTQSA-N 448.748 4.707 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@](C)(CO)c2cccc(Br)c2)cc1OC 1179751940 QDYYIWXINBVNLH-HXUWFJFHSA-N 440.765 4.673 30 10 IJEE C#CCOc1cccc(OS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)c1 1186674925 PSSCNMWHVXFZPP-UHFFFAOYSA-N 436.110 4.536 30 10 IJEE C=CCCC1(CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CCCC1 1192468341 NPJAMROHXCPJFZ-KRWDZBQOSA-N 427.994 4.560 30 10 IJEE COc1ncc(NC(=O)N[C@@H](c2cccc(SC)c2)c2cc(F)ccc2F)cc1C#N 1209050616 FHZHWIGXDKMLMS-FQEVSTJZSA-N 440.475 4.873 30 10 IJEE CN(CCN1CCCCC1)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1219256135 GZJGUKRZAJYWPM-UHFFFAOYSA-N 429.380 4.926 30 10 IJEE C#C[C@@H](NC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1)c1ccc(Br)cc1 1275473662 DWWZFXYSVKNMSF-LJQANCHMSA-N 442.353 4.769 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCCC1(C)C 1286303067 XEXJMZJMUWAYHV-IAGOWNOFSA-N 445.405 4.904 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)Cc1cccs1 1286303331 BWCYVTFUPYYUTA-ROUUACIJSA-N 440.638 4.977 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1286407478 WSOIVVUSXNZQRD-QZTJIDSGSA-N 439.485 4.803 30 10 IJEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)CC[C@@H]1C 1286510159 KKAVGUKRRBVTNY-ROUUACIJSA-N 430.643 4.570 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC)(CC)C1 1286553905 WBLFMQOIFALRSU-ICSRJNTNSA-N 429.996 4.991 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(CC)C1 1286554635 VBKYWYYKSKEXKK-YWMUFLPLSA-N 448.409 4.643 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](C)C1 1286562318 KMTGHCVLLZBXGG-BIRZXAFVSA-N 430.637 4.804 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1286690093 CHBIVISXCTWYQB-SFHVURJKSA-N 429.634 4.919 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(C(C)=O)CC1 1286755781 KSJQJXGMIOSNLO-UHFFFAOYSA-N 448.398 4.689 30 10 IJEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCC(F)(F)C1 1286759657 FCPVJMTXACMIGA-KRWDZBQOSA-N 449.571 4.664 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1286760663 PGQSNUUKEGLMPF-DNQXCXABSA-N 435.616 4.610 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1286795028 DKLXHFLZJRXTNP-HDICACEKSA-N 439.510 4.681 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(SC)CC2)C1 1286801041 VMZSTQYQTBSAJN-VQTJNVASSA-N 442.629 4.712 30 10 IJEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)c2cccs2)CC1 1286833274 YRMQKOAPLYQVKU-GOSISDBHSA-N 446.642 4.600 30 10 IJEE CC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1288989589 GANYVAQKEPCFHP-QGZVFWFLSA-N 425.916 4.518 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1291104785 AQDZUCCKTFYNFK-AQNXPRMDSA-N 432.572 4.728 30 10 IJEE C=CCOc1ccccc1CN(C(=O)/C=C\c1cccc(O)c1)c1ccc2c(c1)OCCO2 1293125195 GXKWGSZKVPSRRL-RAXLEYEMSA-N 443.499 4.975 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 1299842939 SFLWZOSBQJGJDK-UHFFFAOYSA-N 442.478 4.790 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1ccc(N2CCCCC2)nc1 1300275581 WQAOENFDYHWDHS-XUZZJYLKSA-N 442.611 4.712 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1CC1(CCC)CC1 1300648183 ADAOMOFBQIAPKO-UHFFFAOYSA-N 437.588 4.993 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CC[C@H](F)C1 1300650709 XEYJIYVLZZYTAN-NQIIRXRSSA-N 426.536 4.848 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@](C)(O)CCC(C)C 1300786664 HFUFANGXNBVRKT-OWAUWMPXSA-N 442.579 4.737 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1300996511 HIRFTACTEQUSNY-JOCHJYFZSA-N 445.007 4.835 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnn(CC)c1 1301154448 RXHPYLBQOPMOFJ-UHFFFAOYSA-N 428.531 4.602 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1C[C@@]1(N(C)C)CCSC1 1301358918 BAHQVHKFTVALTI-QHCPKHFHSA-N 439.654 4.637 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1301383922 KGVBNQYKENDFPJ-XMMPIXPASA-N 430.600 4.608 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(CC)C1 1301530973 CBCDAFGWZXERKR-DEOSSOPVSA-N 437.613 4.873 30 10 IJEE C=CCSCCn1c(CC(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1301612297 XAUBTZNTAGJRPW-UHFFFAOYSA-N 435.037 4.537 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CCO[C@H]1C1CC1 1303063195 CSLWAADZZKGEDY-OZXSUGGESA-N 446.599 4.788 30 10 IJEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H](C)CC#N 1305310182 DFDVKEFZFSVVIR-KKIGLAAZSA-N 427.593 4.570 30 10 IJEE CCN(C[C@H](C)C#N)C(=O)CN[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 1307626215 HLTBQTVXLQAQRT-JPYJTQIMSA-N 442.401 4.505 30 10 IJEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1 1309891148 ZAOZKBRFWXOZTA-NRFANRHFSA-N 431.916 4.555 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCCCCCC3)n2C[C@@H]2CCC(F)(F)C2)cc1 1316533164 FZBCIKSJMBHFBL-LJQANCHMSA-N 429.515 4.935 30 10 IJEE CCC(CC)N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1=O 1351170356 DPHNLCIJDTVTSE-MRXNPFEDSA-N 425.916 4.980 30 10 IJEE C=CCc1ccc(OC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c(OC)c1 1351409252 WAKYMWLLIHCIKR-HSZRJFAPSA-N 427.500 4.596 30 10 IJEE CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1352964641 AIAFMDPMJDIECA-CQSZACIVSA-N 436.726 4.530 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CCCN1C(=O)OC(C)(C)C 1355679666 PHVQYLKCOGGIJA-GBXCKJPGSA-N 430.545 4.529 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO[C@H]1C(C)C 1358988369 MGIYLJRTQVEVOT-URXFXBBRSA-N 430.552 4.605 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)CC=C 1359017518 HPXFTSKCNLDYQV-UHFFFAOYSA-N 434.563 4.521 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H](C)Cc1cccs1 1359021214 GRORHOZCZWEAKM-LJQANCHMSA-N 445.592 4.520 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H](C)C1 1359080135 HJMFYIUMIWVTKS-OAHLLOKOSA-N 449.393 4.887 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC(O)(CC)CC)CC1 1359176784 OAZAPBMWEQXDSN-UHFFFAOYSA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCCN(C(C)C)C(C)C)CC1 1359180172 VBFLPVLFLJHJIX-UHFFFAOYSA-N 427.612 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1359182795 TXPJWHRCCQYALJ-CTNGQTDRSA-N 439.604 4.753 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359192536 HXIKHFPYNONSBW-FGZHOGPDSA-N 440.588 4.536 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(Cc2cscn2)CC1 1359198834 CGHQNQJULTWIBC-UHFFFAOYSA-N 443.020 4.734 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359200865 UBOXJIDSACMJQX-HXUWFJFHSA-N 436.560 4.694 30 10 IJEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1359202975 GIGVIAJLRCVHCD-RTWAWAEBSA-N 440.588 4.887 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC1CCOCC1 1359223683 SQEGYIOTMRNJPR-UHFFFAOYSA-N 426.605 4.698 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(OC)ccc1OC 1359234211 HWQMMBGVABRPCX-INIZCTEOSA-N 438.597 4.819 30 10 IJEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)c1nc(C)cs1)C1CC1 1359253945 ZKPIEMNCTHHUFJ-OAHLLOKOSA-N 427.549 4.720 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1CCN1CCC[C@H]1C 1359262937 KHPXYYSMAZBKOQ-LJQANCHMSA-N 437.613 4.692 30 10 IJEE Cc1nc(CSc2ccc(C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)cc2)cs1 1361015595 FWSUYNFIZQXAKC-UHFFFAOYSA-N 446.561 4.508 30 10 IJEE C=CCC[C@H](C(=O)NCCCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 1442291837 DBSOXKIMADKORI-QFIPXVFZSA-N 426.004 4.718 30 10 IJEE Cc1ccc(F)c(-n2cc(O)c(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)n2)c1 1451969440 HIBGPVNGJVXAGQ-AWEZNQCLSA-N 446.404 4.599 30 10 IJEE C=CCCC[C@H](C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccccc1 1455960484 UYELWWGQHDRYOT-IBGZPJMESA-N 428.935 4.904 30 10 IJEE N#Cc1ccc(-n2ccc(NC(=O)CCc3cc(Br)cs3)n2)c(Cl)c1 1458220379 FVWSXWJOEJUOLM-UHFFFAOYSA-N 435.734 4.793 30 10 IJEE C#CCOc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 1458823359 LAUMHIXCGHYTTJ-UHFFFAOYSA-N 445.858 4.510 30 10 IJEE C#CCN1CCC(C(=O)N(C)Cc2ccc(Cl)cc2Oc2ccc(F)c(C)c2)CC1 1462554219 ZSZSNICNKKCAEV-UHFFFAOYSA-N 428.935 4.883 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(Cl)c(Br)cc1OC)c1ccccc1 1463274593 NBAMPIMIHPLPOI-DEOSSOPVSA-N 428.735 4.964 30 10 IJEE CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1463792111 BSVRBPVRFHUQJB-DENIHFKCSA-N 429.486 4.683 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)cc1 1464463923 BHNVWJHZCHHPDG-HSZRJFAPSA-N 437.971 4.757 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 1470007475 LOGSFLGEMZCAQB-PBEJRMEISA-N 428.470 4.932 30 10 IJEE C=CCn1c(SC[C@H](OC)[C@H]2CCOC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472971173 NIDINHPQFLWPFJ-ROUUACIJSA-N 442.606 4.763 30 10 IJEE N#C[C@H](c1ccc(Br)cc1)N1CCN([C@@H]2CCc3c(Cl)cccc32)CC1 1473352310 FWJYVKNDQLDWHN-NHCUHLMSSA-N 430.777 4.972 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1cc(C)c(Br)cc1C)c1ccc(F)c(F)c1 1475213493 RDTUPPGXPPCUGF-SFHVURJKSA-N 430.314 4.940 30 10 IJEE CN(C)CCCN(CCC#N)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 1476091494 HRHCOOSVOUTSSS-UHFFFAOYSA-N 448.489 4.984 30 10 IJEE CCCc1c(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cnn1-c1cccc(C#N)c1 1476433237 FPSICRKOTZDQFR-JIXPZRSMSA-N 449.599 4.880 30 10 IJEE C[C@H](NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OC(C)(C)C 1476792189 FFPVACMPPWXRGO-VIFPVBQESA-N 432.336 4.828 30 10 IJEE C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)N1CCCN(c2ccccc2C#N)CC1 1477569583 IDZDNNGBFGKERZ-FQEVSTJZSA-N 434.584 4.545 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 1478539891 CWUHWJYSWWSODY-UHFFFAOYSA-N 439.357 4.575 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](c1ccsc1)N(C)C 1507517739 JIYHOPHZXWLXCZ-KNQAVFIVSA-N 433.625 4.570 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1507553030 CJTWXRPOWANCRI-MQEZQYLSSA-N 443.636 4.962 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1507569155 CXKPVEBNGUVNNM-QHCPKHFHSA-N 436.600 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 1507792779 AMRGJUVFEVIUKB-ICSRJNTNSA-N 425.964 4.710 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(CN(C)CCCC)CC2)nnc1C(C)(C)C 1507811247 PCQHDOYSNIZQNH-YADHBBJMSA-N 431.669 4.505 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCC(C)CC1 1507819875 VVYGUTTUNDDZGB-UHFFFAOYSA-N 433.547 4.681 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C2CC2)C1 1507836923 DQTSFFDDRUZLEF-SFHVURJKSA-N 431.378 4.537 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)Sc2ccccc2)CC1 1507876370 DOAXQDOSQXXJCY-GOSISDBHSA-N 427.618 4.534 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1507879851 XJSGOMNKJUCENB-KBMIEXCESA-N 442.604 4.696 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(Cn2cccn2)CC1 1507943886 IRDDRLZCROBYLI-UHFFFAOYSA-N 440.979 4.686 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(C)ccc1OC(F)F)C1CC1 1507997203 RYZKSTWFHNRLGW-UHFFFAOYSA-N 445.539 4.747 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1Cc1ccc(CN2CCCCC2)cc1 1508013320 CVZUSUBXUJKGOP-UHFFFAOYSA-N 428.584 4.553 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCCO2)C1 1508124789 CCFSCRBWJJBBES-MOPGFXCFSA-N 449.020 4.574 30 10 IJEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1 1508167822 PYTLNONASVLZPZ-SFHVURJKSA-N 430.618 4.657 30 10 IJEE C[C@@H](Oc1ccccc1F)c1nnc(N(CCC#N)CC2CC2)n1CC1CC(F)(F)C1 1510271297 FBRQYXVTILBDAW-OAHLLOKOSA-N 433.478 4.733 30 10 IJEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccccc2OC2CCCC2)n1 1511071322 DHAMSRWAYSOHHZ-SFHVURJKSA-N 430.556 4.614 30 10 IJEE C=CC[C@@]1(C(=O)NCCOc2cccc(C(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1521977203 VHXBCIHEAGTRNX-VWLOTQADSA-N 430.589 4.825 30 10 IJEE CC(C)(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 1523228146 ATMOAOHENIMKSQ-DYESRHJHSA-N 427.907 4.872 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)c1 1529646247 DINROTCEUHCYDN-QFIPXVFZSA-N 426.516 4.854 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)cc1OC 1530321603 BIEZSKYZJCYOJV-POHAHGRESA-N 425.435 4.684 30 10 IJEE CC(C)OC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)sc2c1CC[C@H](C)C2 1533864181 ARMBSAQOPUFLQW-LSDHHAIUSA-N 426.538 4.716 30 10 IJEE C#C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1ccc(Br)cc1 1535483999 USPLJASWWPRRHO-IBGZPJMESA-N 425.351 4.530 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)CC1 1536951592 ZULFWOXQJYTRFZ-JOCQHMNTSA-N 429.364 4.832 30 10 IJEE CC(C)c1ccc(C2(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCC2)cc1 1536962013 FYWFTIGVZZBYPO-XMMPIXPASA-N 429.564 4.805 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1cccc(C(F)(F)F)n1 1538987883 XEUZBJVDPTVHMI-LBPRGKRZSA-N 437.828 4.658 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1539052606 QLHWJPHPXVKLAG-PMACEKPBSA-N 443.389 4.659 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(C)C)C1 1539498963 ZWQQQPFSUTWIFE-ZWKOTPCHSA-N 433.021 4.920 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(Cc1cccs1)C(C)C 1539521293 ZOLYXNBKZJJSPJ-UHFFFAOYSA-N 428.602 4.851 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](CC)N1CCCC1 1539659449 XXMJBIXKOMTDSP-LJQANCHMSA-N 432.012 4.884 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCSC2)C1 1539929329 SLDZOSAYTCYQFU-XMMPIXPASA-N 442.629 4.801 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CCOCC2)C1 1539931845 QRNALOXETRCULY-WOJBJXKFSA-N 430.637 4.806 30 10 IJEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1539948228 VKRDNIGJKAUGPZ-CTNGQTDRSA-N 430.556 4.664 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@H]1CCCOC1 1539989047 NRURVHQVJVSAOT-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1539990694 OWIHCAXTWQUBLO-JOCHJYFZSA-N 442.604 4.960 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@@H](O)C1 1540120612 UIAUANZPWXIBGL-LEWJYISDSA-N 436.556 4.599 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1Cc1cc(F)ccc1OC 1540187564 QUIHZFNFDGTWLC-UHFFFAOYSA-N 426.536 4.891 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCSC2(CCCCC2)C1 1540919331 NQCOPXGSEKBHOV-UHFFFAOYSA-N 449.715 4.809 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(Br)c(C)c1 1542729590 JXCVYVWWEATAJA-UHFFFAOYSA-N 442.126 4.883 30 10 IJEE C=CCOc1ccccc1CNC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1543708326 YCUFIQYETHHSEQ-UHFFFAOYSA-N 447.482 4.864 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)CCSc2ccnc3cc(Cl)ccc23)CC1 1545025383 BLHUOPGMOKGJLD-UHFFFAOYSA-N 436.968 4.591 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 1558967726 PKXCPBDQGVKABZ-UHFFFAOYSA-N 439.515 4.844 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1ccc(C)c(C(=O)OC)c1 1559333097 FRGJYISILCDFKT-UHFFFAOYSA-N 427.501 4.570 30 10 IJEE C#Cc1cccc(N(CC)CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 1559644985 RPSGOIJVJYUOIZ-OAQYLSRUSA-N 439.559 4.966 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1562257968 FCHOLZAPEJLDEB-JOCHJYFZSA-N 436.987 4.682 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 1570213514 GJQWTGANACJMNO-CYBMUJFWSA-N 449.292 4.501 30 10 IJEE Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1scc(C(C)(C)C)c1C#N 1584033680 CJOCVCKTJLNQAL-UHFFFAOYSA-N 432.553 4.696 30 10 IJEE C=CCCONC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 1586066469 RQJKLBWQFQJRAG-UHFFFAOYSA-N 433.352 4.636 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OC(C)C)CC1 1587705741 HQSBLMNYCCYTCW-IBGZPJMESA-N 428.552 4.755 30 10 IJEE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCOC(C)(C)C1 1587706470 PKMNTUXOGZOPHK-UHFFFAOYSA-N 431.584 4.771 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC12CCOCC2 1588451894 IZIFPFFANUGDPN-KRWDZBQOSA-N 431.005 4.500 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CCC1(F)CCC1 1589164421 UGUAHXNQOHUYSD-HXUWFJFHSA-N 431.353 4.982 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)C[C@@H]1CC 1594461092 IIKVHWNDCNXCIQ-MJGOQNOKSA-N 430.618 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1594503949 BCDCTDYFXFSKRH-RXVVDRJESA-N 428.024 4.798 30 10 IJEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)c1ccccc1 1594533711 FQUXMKASGOYHNK-IFMALSPDSA-N 434.588 4.912 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1595343727 SHCAFLOGAFSGSE-GOSISDBHSA-N 425.396 4.597 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H]1CCC2(CCOCC2)O1 1613298806 AFVMDMMHBATOIZ-GOSISDBHSA-N 435.977 4.517 30 10 IJEE C#C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 1622167728 NDOABUVCUZHZGJ-HNNXBMFYSA-N 425.325 4.516 30 10 IJEE C#CCN1CCC[C@@H](NC(=O)Nc2c(Oc3ccc(Cl)cc3)ccc3ncccc23)C1 1623388513 ZSJGLWZLSZMBMZ-GOSISDBHSA-N 434.927 4.900 30 10 IJEE C=C1CCC(CNC(=O)c2cc(I)cc(Br)c2C)CC1 1625700171 VMUVCFQQVQZFEN-UHFFFAOYSA-N 448.142 4.838 30 10 IJEE C=CCc1cc(CNC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)cc(OC)c1OC 1625994414 ZEOBVZZOBJKVBX-GOSISDBHSA-N 446.547 4.907 30 10 IJEE COc1cc(NC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(F)cc1C#N 1626517783 FJWHGBNVIASUTN-HNNXBMFYSA-N 436.512 4.757 30 10 IJEE C=C[C@@H](C(=O)Nc1ccc(-n2ncc(C(=O)OCC)c2C(F)(F)F)cc1)c1ccccc1 1629028298 ULXFZMDHGMUYLP-GOSISDBHSA-N 443.425 4.976 30 10 IJEE C#C[C@H](CCC)NC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1635835733 UNAVNFZGJNNNRM-OAQYLSRUSA-N 426.582 4.561 30 10 IJEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 1636574241 RXSLDIBDXFNAQH-QFIPXVFZSA-N 438.936 4.635 30 10 IJEE CSc1ccc([C@H](CNc2nnc(C)c(C)c2C#N)N2CCc3sccc3C2)cc1 1639283116 ADEQLUBNADMTBJ-NRFANRHFSA-N 435.622 4.960 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1642171105 ZFMZRKBLNFGAIU-UHFFFAOYSA-N 440.487 4.838 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2C(F)(F)F)C1 1643207545 IVVUPSIINGYFRR-SFHVURJKSA-N 426.479 4.840 30 10 IJEE C=CC[S@@](=O)(=NC(=O)Cn1c(C)c(Br)c2ccccc21)c1ccccc1 1648461997 VIVCOCNRZYGWQG-SANMLTNESA-N 431.355 4.952 30 10 IJEE C[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1657039420 FXSPRALQOFWPOG-PZJWPPBQSA-N 437.588 4.589 30 10 IJEE N#Cc1cc(Br)cc(S(=O)(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 1659926651 GXYUNLAACKHZPJ-FQEVSTJZSA-N 431.355 4.551 30 10 IJEE C#CC[C@H](NCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1)C(=O)OC 1664970167 IEGDABNOTIASEO-KRWDZBQOSA-N 440.696 4.688 30 10 IJEE C=CCCCN(CC)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 1666581530 YMUYPUHGELWJON-BJKOFHAPSA-N 447.044 4.926 30 10 IJEE C=CC[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccncc1 1667281478 GZPIFIIKQABLEV-RDPSFJRHSA-N 442.519 4.596 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(OC)c(Br)c1)c1ccc(Br)cc1 1668476534 LUFCNYXGWDDISX-HNNXBMFYSA-N 438.119 4.716 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 1668990709 SSKCGWGMSUHPBP-UHFFFAOYSA-N 440.450 4.595 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC 1669099014 QCVFKNJHHBIZJO-XMMPIXPASA-N 434.923 4.949 30 10 IJEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(COc3cc(C)ccc3C(C)C)cc2)C1=O 1669230537 MUSCXVRMMKTYSU-HSZRJFAPSA-N 435.568 4.948 30 10 IJEE CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NCc1cccs1 1671555652 CQEUIVQXJSBYGB-HXOBKFHXSA-N 446.576 4.742 30 10 IJEE CC1CCN([C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)c2ccccc2)CC1 1671735715 DBMJLFQURBJDGD-NRFANRHFSA-N 441.373 4.915 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(O)CCCC(C)(C)CC1 1672712498 QTZYZUAFFJMQPA-FQEVSTJZSA-N 425.367 4.857 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)cc1 1673819852 NDXQUBFUZCHCPI-MHZLTWQESA-N 443.547 4.973 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC[C@H](Cc3cccc4ccccc34)C(=O)OC)cc2n1 1674576502 LCPNUPCLJYGKDJ-NRFANRHFSA-N 442.519 4.529 30 10 IJEE C#CCCCCNC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 1675937660 TVQXCNQQWYPSSR-NRFANRHFSA-N 427.639 4.672 30 10 IJEE Cc1nc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)sc1Cc1ccccc1 1680368222 FUEMBCLAKXJXSC-UHFFFAOYSA-N 447.564 4.821 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 1680855609 NZBCVFCCSPQFIQ-WMLDXEAASA-N 429.483 4.925 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 1681741746 PLDZPNRQLRTJBY-OXQOHEQNSA-N 437.506 4.744 30 10 IJEE C#C[C@H](NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(Br)cc1 1683680811 HLXKSXWHBWNACN-RBUKOAKNSA-N 425.326 4.869 30 10 IJEE C=CCCSCCNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 1683691583 DQWAPVJHDUHSNW-UHFFFAOYSA-N 442.560 4.847 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1686542668 GNASPYUETGANIL-SFHVURJKSA-N 440.469 4.680 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1689877342 WTWCIWSOQWTMHR-MYDTUXCISA-N 436.600 4.557 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)C[C@@H]1CCCOC1 1689880213 VMGPEZBPMGHPRO-SFHVURJKSA-N 445.405 4.682 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCCC1(F)F 1690054067 OCWKEFKDCFRFLG-SFHVURJKSA-N 446.929 4.799 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1ncc(CC)s1 1690058982 GGEYFKIYJHBUTD-IBGZPJMESA-N 437.613 4.756 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1690059172 KMJDKHFDAOZJOS-WPFOTENUSA-N 438.616 4.946 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2Cc2nnc(C(C)(C)C)s2)CC1 1690415077 WIEXXAGYDCFYPU-UHFFFAOYSA-N 436.629 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CCC(N)=O)CC1 1690422170 GGYBCCCJBQQDKB-UHFFFAOYSA-N 447.986 4.822 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690422770 ZTGOGMCFLZTYIX-MAUKXSAKSA-N 433.478 4.575 30 10 IJEE C=CCCCn1c(-c2ccccc2C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690477865 JKEWAWOZBDKUAP-VQTJNVASSA-N 439.604 4.959 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)[C@@H](C)CC 1690576394 ZHKBTYCAVFGPAV-MHECFPHRSA-N 435.597 4.868 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCc1ccc(N(C)C)cc1 1690576407 ZRGZFXPZINASFY-UHFFFAOYSA-N 446.624 4.846 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1CCN1CCC(C)CC1 1690590453 ZUBJWDMFDHRROY-UHFFFAOYSA-N 444.421 4.618 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1ccnc(C(F)(F)F)c1 1690599226 QFOJURCOXRNAKO-UHFFFAOYSA-N 431.437 4.649 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1nc(C(C)(C)C)cs1 1690607136 FCQBKJRJFFRWPB-UHFFFAOYSA-N 448.596 4.971 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccco1)N1CCCC1 1690995286 GWOJNESFEVEZFP-FXAWDEMLSA-N 438.963 4.624 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1c(C)nn(Cc2ccccc2)c1C 1694049030 BTRNJEWJHUUQIE-LJQANCHMSA-N 445.615 4.832 30 10 IJEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccc(C)s2)ccn1 1698371932 BNVUCIUCLIGHPM-UHFFFAOYSA-N 446.605 4.988 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H](C)Cc2cccs2)c1 1705507024 PBOOQRGGOVOCST-GOSISDBHSA-N 447.608 4.542 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1CCCC1 1705592137 CROQNROMISRWKE-UHFFFAOYSA-N 425.374 4.669 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1705593252 LNXRPRXAHPUQEN-SJORKVTESA-N 435.881 4.750 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1cnc(C)s1 1705697747 NHCQKDXISJBOID-PXNSSMCTSA-N 444.004 4.981 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C)CCC1 1705714732 ZHUYMSZVVNSDGZ-UHFFFAOYSA-N 434.588 4.658 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1705729807 ZBOKSDPDKKHNNL-FCHUYYIVSA-N 440.588 4.616 30 10 IJEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1705732308 VGDHQLNZMLZDSJ-HXUWFJFHSA-N 437.500 4.689 30 10 IJEE C=C(Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 1705740927 BOKHVAUKCZQSPF-QFUCXCTJSA-N 439.604 4.854 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1705756421 ASWHFCZQFZJPRH-HXUWFJFHSA-N 428.005 4.788 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1705784882 NBKFSAGJYXCMSJ-HSZRJFAPSA-N 439.648 4.853 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705792851 CZUIDMCMXDXIKG-WOJBJXKFSA-N 429.008 4.987 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1c(C)noc1C)c1ccccc1 1705797388 VQEFKNNIBAFWNR-QFIPXVFZSA-N 442.567 4.865 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(F)c(Cl)c1 1705804796 NGDGHJPXDVOJED-UHFFFAOYSA-N 445.926 4.791 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCO[C@H]1CCCC[C@H]1C 1705836659 AWYFRHRYKSIGTP-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1Cc1ccc(OC(C)C)cc1 1705866224 KGQITFRQAQUZDP-FQEVSTJZSA-N 438.597 4.872 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)N1CCCCC1 1705882155 NCAQDZQKUJZOLL-UHFFFAOYSA-N 437.588 4.595 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCN(CCC)CC1 1705941440 KHBKTLQKFYRNHT-UHFFFAOYSA-N 434.053 4.828 30 10 IJEE CC(C)N(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCCCC2)CC1 1706546693 GVUFHSLCNDKZLP-UHFFFAOYSA-N 434.632 4.954 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@](C)(O)CCC(C)C 1722285207 QIRIXMHLCUYPRJ-JTSKRJEESA-N 447.421 4.661 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC1(C)CC1 1722393150 SZTNMDHBOSTBQD-UHFFFAOYSA-N 428.536 4.770 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@@H]1C(C)C 1722467522 TWIOOUWTQLEOHY-DKYNXLSCSA-N 440.563 4.610 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1cccs1 1722488309 GFDSICBVGMDKBX-MRXNPFEDSA-N 430.375 4.576 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(F)(F)F 1722495894 ULVNKVDNXMVGGO-JXFKEZNVSA-N 445.489 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H]1CSC 1722495939 IQRDBHBSBQGSRJ-ZWOKBUDYSA-N 433.021 4.912 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(C#N)o2)CC1 1722575925 CBLJMAQIUFHXBB-UHFFFAOYSA-N 438.329 4.623 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1722588648 CMYGAIGYTQBSQK-FQEVSTJZSA-N 436.604 4.948 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722599419 HUNXJMSKUVYAFZ-WERVVEIQSA-N 428.552 4.775 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCSC1 1722675716 SHVYLOLOXKOZSL-QHCPKHFHSA-N 433.625 4.642 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(COC)CCCCC2)C1 1722717072 CLPDNZTWNMJJCW-OAQYLSRUSA-N 445.007 4.977 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCC[C@@H]1C 1723532730 HYEWTAMEYOSIFJ-UUOWRZLLSA-N 435.597 4.844 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C[C@@H]1C 1726596424 BSAKNFYLIKEFFR-KGVIQGDOSA-N 434.613 4.663 30 10 IJEE C#CCCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740582822 ISOQNIDIUVVJLA-CZUORRHYSA-N 441.295 4.756 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCCN1CCCC[C@H]1C 1740603273 LROXSGIJHQZSGG-WOJBJXKFSA-N 439.673 4.855 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCc1csc(C(C)C)n1 1740631499 JTWVGGRAJGYWGY-QFIPXVFZSA-N 431.609 4.715 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC1CCCCC1 1740760024 NQXYQRPXCMYORW-RDGATRHJSA-N 438.616 4.875 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1740820212 VOZPYONDXZPCKY-GJZGRUSLSA-N 437.407 4.598 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@H](O)C1 1740922408 GNJINLSVNZGJHM-QUCCMNQESA-N 438.597 4.759 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](F)C1 1740932858 XLTGRJSRHBJFJW-AQNXPRMDSA-N 447.599 4.709 30 10 IJEE CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cc(COC(C)(C)C)on1 1744783010 FKZATVAENYDTSQ-VGSWGCGISA-N 448.571 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC1(COC)CCCCC1 1748659110 BQDQKILTRKATLM-KRWDZBQOSA-N 445.405 4.762 30 10 IJEE C#CCCCCn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ncc(CC)s1 1748724555 FGCXKVZMBNOBQE-UHFFFAOYSA-N 432.597 4.740 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1748751381 VSKCWBLWVMLRBC-HBMCJLEFSA-N 443.636 4.821 30 10 IJEE C#CCN(CC#C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCCOCC 1748828353 DADGCRSTMMHDJL-UHFFFAOYSA-N 426.973 4.703 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1Cc1ccc(CC)s1 1748888973 CSGPYMGBRVPMBZ-UHFFFAOYSA-N 425.561 4.628 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN1CCCC[C@H]1CC 1748907894 PEQIOUQLOZYAFM-TZIWHRDSSA-N 444.023 4.796 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1749029038 IXLWLFXUCSRCAC-RBUKOAKNSA-N 433.021 4.605 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1749109835 AEEMPVBNQRKGFM-UONOGXRCSA-N 439.785 4.901 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C)s1 1749132777 CWIBPJLFPBAZTQ-RXVVDRJESA-N 428.627 4.918 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C)c1 1749189393 IHCYWFLSHNOXIR-OAQYLSRUSA-N 439.604 4.914 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC2(O)CCC2)CC1 1749286255 GNLRHVKSLOGYIB-SFHVURJKSA-N 430.980 4.760 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)c1ccccc1 1749380924 BEKRJKLVDUFMGB-HRKISDNUSA-N 438.616 4.926 30 10 IJEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)c1c(C)noc1C 1749502152 QGGJSANYXCEWEJ-OAHLLOKOSA-N 427.574 4.610 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@](C)(OC)CC2)cc1 1749683771 FYIGWVBYTXNYFK-WIOPSUGQSA-N 440.588 4.528 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)SC)C1 1749719642 YJRANHIOXUMVRC-SFHVURJKSA-N 432.659 4.802 30 10 IJEE N#C[C@@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCCS2)C1 1750378023 DTLDFJAUAPOQIZ-LPHOPBHVSA-N 437.997 4.561 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCc1cc(C(F)(F)F)ccn1 1760106659 MPLJVSNFAALEDR-MRXNPFEDSA-N 427.474 4.622 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)Oc1cccc(F)c1 1760173016 HDCHUCDSAAOWAX-DLBZAZTESA-N 438.572 4.807 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCO[C@H]1CCCC[C@H]1C 1760224052 WBPSHSZZYDUJRE-VWNXMTODSA-N 448.611 4.532 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCc1nc2c(s1)CCCC2 1760237639 PJRZBUZBTGEIRP-UHFFFAOYSA-N 449.624 4.511 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@H]1CCCCO1 1760289752 SMAOPWSKHFLHPA-AXHZCLLHSA-N 426.536 4.509 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(CC)C[C@@H]1CCCO1 1760315896 KBBRNPSBPNIRHC-QPXUXIHVSA-N 438.616 4.807 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1760316723 WEGMICZRQDJVID-KGWSWXIGSA-N 430.637 4.947 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1nccs1 1760320310 WXWTYDPMTIOZPT-IFXJQAMLSA-N 447.967 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCCN1C1CC1 1760340836 PYONFFDZLFORON-QHCPKHFHSA-N 437.632 4.893 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](c2ccco2)C1 1760348791 MJXLMGIIGXPVTF-MSOLQXFVSA-N 427.549 4.513 30 10 IJEE C=C(Cn1c(C)nnc1N1CCC(N(CC)C(=O)OC(C)(C)C)CC1)c1ccccc1 1760362272 FVAFHYLBTVPULV-UHFFFAOYSA-N 425.577 4.526 30 10 IJEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760376107 FKLNSKRAHKSLHA-KXBFYZLASA-N 432.952 4.788 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN(C)C2CCCCC2)CC1 1760391228 VLYQXLKNBPOTDZ-UHFFFAOYSA-N 443.586 4.958 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCOc2ccccc2Cl)CC1 1760404698 JRMRTLKFXIOSIQ-UHFFFAOYSA-N 444.004 4.769 30 10 IJEE C=CCCCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760424930 ZYDZTAISUMIRJG-IBGZPJMESA-N 442.007 4.697 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1cn(CCCC)nc1C 1760454438 JOENDDVEAXIKLW-UHFFFAOYSA-N 443.393 4.683 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1cccs1 1760457587 YOWZJEXUERTVGJ-IVZQSRNASA-N 428.627 4.723 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCO[C@H]1CCCC[C@@H]1C 1760468258 NJAUUZJITXAVDW-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1760483975 IKHZRNAUKZRCCK-SELNLUPBSA-N 430.618 4.774 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccnc2)n1CCC1CCN(CC)CC1 1760486799 ZTVMGRACGWJYNV-UHFFFAOYSA-N 436.629 4.716 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1Cc1c(CC)nn(C)c1CC 1760497310 ADSWTASBJSZNBZ-UHFFFAOYSA-N 434.632 4.717 30 10 IJEE C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@](C)(C#N)C1 1763206900 AQPXZMORBJAJRX-VVBPWWLESA-N 431.943 4.540 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)NC2CCCCC2)CC1 1772554962 CWYNETAAYQYGSV-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE O=C1/C(=C/c2cccnc2)SC(=NN=Cc2cc(Cl)ccc2O)N1Cc1ccco1 1772758622 AAALHUHLYKDBTJ-BHVPBPGWSA-N 438.896 4.540 30 10 IJEE Cc1cc(C)c(NC(=O)c2nc(C(=O)Nc3ccccc3C#N)c3ccccn23)c(Cl)c1 1858242993 KQMRXOORQDZRQJ-UHFFFAOYSA-N 443.894 4.981 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1ccc(=O)n(CCC)c1)[C@H](C)CC 1861243695 PBEIWTVLEAHTIT-NFBKMPQASA-N 433.637 4.660 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C(C)C)ccc1O 1862383662 PUKLVMBINSGTCX-GOSISDBHSA-N 436.291 4.694 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1cccc(O)c1 1862441699 BWVUPOHYEOMXOK-JOCHJYFZSA-N 449.890 4.833 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@H]3C)[C@@H]2c2ccc(C(=O)O)cc2)cc1 1862478959 VKVPHRIPTQGEQN-BSLALVQMSA-N 433.504 4.850 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862479093 YKYOKYQLQIUZTE-HXUWFJFHSA-N 434.473 4.743 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2ccc(O)cc2)c1 1862555838 JIOYHHUZHQMTAO-DEOSSOPVSA-N 442.515 4.576 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccs2)c1 1862559579 RLAXHEJZPQEDPO-OAQYLSRUSA-N 434.517 4.508 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)c(Cl)c1 1862634378 XJKDSPRXUUNRMU-GOSISDBHSA-N 434.275 4.709 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2C[C@@H](C)O)c1 1862656027 UTZIXWGEZRIWLV-MZNJEOGPSA-N 445.515 4.588 30 10 IJEE CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862670100 LZDWQBHRPRXHHW-IBGZPJMESA-N 428.872 4.970 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1862759770 YAGSSTSFAGSRTH-KZULUSFZSA-N 448.397 4.990 30 10 IJEE COc1cc(Cl)c(C)cc1NC1=C(c2cccs2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863110408 NBYAELXCUOBLLZ-UHFFFAOYSA-N 449.919 4.987 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(Cl)ccc3Cl)C(=O)N(Cc3ccco3)C2=O)c1 1863388229 JVVLVZFGHADDCS-UHFFFAOYSA-N 438.270 4.850 30 10 IJEE CC[C@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(C#N)cc1 1866883428 MTMPBJOFWJOOEQ-NRFANRHFSA-N 438.487 4.822 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1 1868724479 JREYAGIIPXFEBB-BJKOFHAPSA-N 440.534 4.972 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1 1868962195 OABLWFKRNZTEQF-RXVVDRJESA-N 440.971 4.576 30 10 IJEE C=CCN(CC=C)c1cc(N2CCC[C@H](Oc3ccccc3)C2)nc(-c2cccnc2)n1 1869373876 UCEKHVCBENPGKG-QHCPKHFHSA-N 427.552 4.765 30 10 IJEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CSc2ccccc2)cc1=O 1870246257 VNMNDMWXGDRUJR-HSZRJFAPSA-N 436.577 4.714 30 10 IJEE CCCCCCCCn1cc(OCc2ccccc2C)c(=O)cc1CN1CCOCC1 1870628100 SVGWGUIXELMCGY-UHFFFAOYSA-N 426.601 4.928 30 10 IJEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870811910 KEGNKDINQMXZDL-UHFFFAOYSA-N 449.517 4.920 30 10 IJEE COc1cc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CC(C)C)cc(OC)c1 1871251647 PJXLUATXYRPMLG-UHFFFAOYSA-N 447.535 4.584 30 10 IJEE O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(C[C@@H](O)c2ccc(Cl)cc2)CO1 1871352981 KAAJIVXYSFFORY-ZRRZKUONSA-N 439.920 4.903 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(OCCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1872178529 MZXRNEAKJAEFPM-QFIPXVFZSA-N 448.560 4.599 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(OC)c1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872308968 QGKJCBCEAHCBSZ-HSZRJFAPSA-N 444.597 4.542 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1872560212 WDSKVCVCYFQOLK-NRFANRHFSA-N 444.597 4.523 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(OC)cc3OC)c(=O)oc2c1C 1873930641 BRBWXUOXZFBIEE-UHFFFAOYSA-N 437.492 4.563 30 10 IJEE CCCSc1nnc(CCCOc2ccc(C)cc2)n1/N=C/c1ccc(OC)c(O)c1 1874254012 RFAWUEMMDPMKFV-LFVJCYFKSA-N 440.569 4.697 30 10 IJEE Cc1ccccc1CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccc1 1874272827 SBYFLQDLCICIPI-YNYZQSIGSA-N 447.608 4.875 30 10 IJEE C=C(C)CSc1nnc(COc2c(C)cccc2C)n1/N=C/c1ccc(O)c(OC)c1 1874299508 DVWGVGSXJCYTDK-WYMPLXKRSA-N 438.553 4.739 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2ccccc2Cl)n1/N=C/c1cccc(F)c1 1874367666 DAGFJGWLOPKGDD-BHGWPJFGSA-N 446.935 4.911 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2cccc(O)c2)c1 1874452925 VJHAQXHXWPHXCK-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1/N=C/c1ccccc1O 1874480715 IXIMSOVZSJNXNL-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C(C)(C)C)cc1OCC 1874485654 GWTLEHDWGPISBU-JJIBRWJFSA-N 448.633 4.900 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1/N=C/c1cccc(F)c1 1874510683 VHKRANGHXTYBRT-ZMOGYAJESA-N 425.533 4.716 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CC1 1874519191 GVTNOCLXHYVGOK-SSDVNMTOSA-N 425.583 4.755 30 10 IJEE CSc1nnc(CCCOc2cc(C)c(Cl)c(C)c2)n1/N=C/c1ccc(O)c(O)c1 1874542318 UIWYAZXIQVTGNA-FSJBWODESA-N 446.960 4.575 30 10 IJEE C=CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1OC 1874592710 XXQFIAZCBZSQME-RMKNXTFCSA-N 433.298 4.936 30 10 IJEE CCCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Br 1874631544 IHHJTGDZUZOYQU-RMKNXTFCSA-N 430.342 4.867 30 10 IJEE CC1(C)CN(C(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)Cc2ccccc21 1892309805 PGTOSGNITJQEPV-UHFFFAOYSA-N 446.576 4.811 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CCC1(C)C 1939469478 OOKAUBBVGASHAK-IBGZPJMESA-N 435.487 4.858 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1 1947957240 HTBPBBRZUIWLDJ-QMHKHESXSA-N 431.533 4.728 30 10 IJEE N#Cc1cc(Br)cc(N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c1 2044065225 ALMQQNYUITUQQR-TYCQWZJGSA-N 440.341 4.922 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NC 2111259032 NILHUWDDZJAIEL-QZTJIDSGSA-N 443.813 4.848 30 10 IJEE Cc1cc(F)c([C@@H](C#N)N(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c(Br)c1 2116785814 BRELTABDCVBZPX-XJKSGUPXSA-N 427.314 4.877 30 10 IJEE COCCC1(Nc2ccc(C#N)cc2Br)CCN(C(=O)OC(C)(C)C)CC1 2162307992 DYKXKLMYVQLODH-UHFFFAOYSA-N 438.366 4.539 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2Nc2cc(Br)cnc2C#N)CC1 2167616257 CHMPAMLVJVHJPK-KRWDZBQOSA-N 435.366 4.697 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 2174764761 CKFYERMKUBOFHY-QGZVFWFLSA-N 440.357 4.932 30 10 IJEE CC[C@@H]1CCN(c2ccc(C#N)c(Br)c2F)[C@@H](CNC(=O)OC(C)(C)C)C1 2174813820 AOXLMSJROCFQDE-UKRRQHHQSA-N 440.357 4.980 30 10 IJEE C[C@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CN1C(=O)OC(C)(C)C 2180880804 PHJIDVYPUPTJNE-WWGRRREGSA-N 436.350 4.541 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 2184352932 FEFVJZDWCBYKEE-INIZCTEOSA-N 436.350 4.950 30 10 IJEE CCOc1cc([C@@H](C#N)N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)cc(Br)c1O 2187805821 FCZPYGCNEBZPMZ-CYBMUJFWSA-N 440.298 4.665 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](Oc2cc(Br)cnc2C#N)C2(CCCCC2)C1 2198833733 KWTLGMSPSWIXMI-KRWDZBQOSA-N 436.350 4.664 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)c1 2224127159 GLCLZOBSPSXQRB-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)CC(F)(F)CNC(=O)OC(C)(C)C 2235718247 LJPADSYMTPZGML-MRXNPFEDSA-N 445.348 4.719 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2235731228 PPXZRYAPEVDCDM-YVWKXTFCSA-N 435.406 4.672 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@H](NC(=O)OC(C)(C)C)C(F)F 2235733099 TWUCMLNOXJPLIH-WBVHZDCISA-N 445.348 4.717 30 10 IJEE C#CC[C@@H](CC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237413420 FZEKUHZSVMSOCN-PKOBYXMFSA-N 434.374 4.894 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Nc1cc(Br)cc(F)c1C#N)C2 2241107184 WRQYDOAFAXZGJR-BHADISHBSA-N 438.341 4.954 30 10 IJEE Cc1ccnc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2241476652 WXFUHLRBTHHLOD-UHFFFAOYSA-N 442.368 4.532 30 10 IJEE C#Cc1ccccc1CNC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243906109 WUYQHEYTFXOBLB-UHFFFAOYSA-N 438.527 4.601 30 10 IJEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C[C@H](O)C#Cc1ccccc1Cl 2245956810 ASLXGZVROSRNDM-LEWJYISDSA-N 429.944 4.553 30 10 IJEE C=CCCC1(C(=O)N[C@H](C)c2cccc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2281049099 XAHKNJIHUJFMFT-OAHLLOKOSA-N 437.378 4.830 30 10 IJEE CN[C@H](C#CC1CCCC1)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2289683110 AVKAPZXRVZDZTC-UXHICEINSA-N 435.406 4.667 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1[C@H](CC)CCN1C(=O)OC(C)(C)C 2296290781 HNNKSOFSGWLWAC-MISYRCLQSA-N 435.406 4.814 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2296302685 MRAIQANMFQIOFO-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2296310165 FXTAIJIQZQGRHJ-MJGOQNOKSA-N 435.406 4.814 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)CN(CC1CC1)C(=O)OC(C)(C)C 2296310422 JKWYBQKLYXMAGN-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE C=CCCN(Cc1ccccc1)[C@@]1(C(=O)O)[C@H]2CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2306524421 VBADMTRYSMUWOE-ZHVWDZEKSA-N 428.573 4.601 30 10 IJEE CCCCCOc1cccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCOC)c1 2314478540 UHKUVUWWNNOOAB-RUZDIDTESA-N 449.547 4.880 30 10 IJEE Cc1cccc(CSc2nncn2N=Cc2ccc(OC(=O)c3ccccc3)cc2)c1 2321248686 QMFMOSXTRIUOIU-UHFFFAOYSA-N 428.517 4.980 30 10 IJEE COc1ccc(CCc2nnc(S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1OC 2322232071 YKTGUBUFKRMQRN-UHFFFAOYSA-N 437.352 4.558 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccco1)C3=O)CN(CCCc1nc3ccccc3[nH]1)CO2 2322416119 JXJBABJDVFCCQE-UHFFFAOYSA-N 441.487 4.865 30 10 IJEE Cc1ccc(-n2ncc(NN=Cc3c(O)ccc4ccccc34)c(Br)c2=O)cc1 2322634631 YOQIPVUEQDWFDO-UHFFFAOYSA-N 449.308 4.608 30 10 IJEE COc1c(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1Br 2322969191 OAHUEPASYXELMW-UHFFFAOYSA-N 429.068 4.574 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C=CC(=O)c3cccc(OC)c3)ccc2OC)o1 2323068385 DLNDYHMPYVHHLL-UHFFFAOYSA-N 436.460 4.949 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)N[C@H](C)c3ccccc3)c2)c(OC)c1 2323283358 ZJXSJEWXTYMPSP-LJQANCHMSA-N 445.515 4.856 30 10 IJEE CCOC(COc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)OCC 2324738312 QKTUZLGAZQYDMP-UHFFFAOYSA-N 446.883 4.601 30 10 IJEE CCOc1ccc(C=Nn2c(CCCOc3ccc(Cl)cc3)nnc2SC)cc1 2325975972 ULZZRQLSAHYLRB-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE Cc1cccc(C=Nn2c(CCc3cccc4ccccc34)nnc2SCCCO)c1 2326618336 AGTVILTVYNGHNH-UHFFFAOYSA-N 430.577 4.882 30 10 IJEE CCCSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1c(F)cccc1Cl 2328514678 BQTCAMVFDMPVKU-UHFFFAOYSA-N 433.896 4.954 30 10 IJEE CCCSc1nnc(CCc2ccccc2OC)n1N=Cc1ccc(O)c(OCC)c1 2328702880 PMDHIFNGBGCHGI-UHFFFAOYSA-N 440.569 4.561 30 10 IJEE Cc1ccc(OCc2nnc(SCCCO)n2N=Cc2ccc(C(C)C)cc2)c(C)c1 2328907161 ABPJSXIBXJDKRR-UHFFFAOYSA-N 438.597 4.954 30 10 IJEE C=CCSc1nnc(Cc2ccccc2)n1N=Cc1cc(Br)ccc1F 2330498797 FFHHCEPBOFFTBX-UHFFFAOYSA-N 431.334 4.931 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccc[nH]2)c1 2330531509 LTNFIFXTNDVFDF-UHFFFAOYSA-N 436.566 4.565 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2cccs2)c(O)c1 2330541227 WZYGJOKXQKZWBF-UHFFFAOYSA-N 426.498 4.731 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2CC)n1N=Cc1ccc(CC)cc1 2331635265 AOXQRYDPOOAKMY-UHFFFAOYSA-N 435.597 4.968 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)C=Cc2ccc(OC)cc2)cc1 2332189040 XYXSJNJYXDFACB-UHFFFAOYSA-N 445.523 4.759 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)CCc1ccc(OC)cc1Br 2339379418 HYNDKTAOTRFASB-QZTJIDSGSA-N 427.383 4.577 30 10 IJEE CC[C@H]1[C@H](Nc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2339594997 CZUPYPUHHUHLMQ-PWHIRKQZSA-N 443.397 4.926 30 10 IJEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(C#N)(Nc2ccccc2Br)C1 2340418952 AWVJVJGATAPMAX-UHFFFAOYSA-N 434.256 4.743 30 10 IJEE CC#CCN(C[C@H](NC)c1cc(Br)cc(OC2CC2)c1)C(=O)OC(C)(C)C 2363118219 IUYFWWDFUYKZCR-IBGZPJMESA-N 437.378 4.511 30 10 IJEE N#Cc1cc(Oc2cc(Br)cc(I)c2)ccc1[N+](=O)[O-] 2364016426 YQLVMLWHPBOPCJ-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE CN[C@@H](C#C[C@H]1CC1(C)C)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2365083231 OPWUPYYULQEVMG-WDSOQIARSA-N 435.406 4.522 30 10 IJEE N#Cc1ccc(Br)cc1N[C@]1(C(=O)O)CCCC[C@@H]1OCc1ccccc1 2378881915 CSHRHNFDPKMBEN-PZJWPPBQSA-N 429.314 4.715 30 10 IJEE C/C(=N\Nc1nc(SCCC(=O)Nc2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 21082056 XEGWGOOYVICVKX-WYMPLXKRSA-N 432.912 4.554 30 10 IJEE COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)c(OC)c1 21219440 VDTPUHZDKAMFFR-XMSQKQJNSA-N 449.547 4.743 30 10 IJEE CCCc1cc[n+](/C(C(=O)c2ccc(C(C)C)cc2)=C(/S)NC[C@@H]2CCCO2)cc1 22691851 CQNKJNMNIJNCTR-QFIPXVFZSA-O 425.618 4.757 30 10 IJEE FC(F)(F)c1ccc(N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)nc1 32703139 JCRLJDAWXLHDDK-IFHSORIPSA-N 428.458 4.962 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(Cl)c2)Nc2ccc(F)cc2)c1C 32971700 WRKFJJXJGNLZNM-UHFFFAOYSA-N 427.911 4.710 30 10 IJEE COc1cccc(/C=C2/Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)c1 33745815 MGVPAFGCDMKGKZ-FSJBWODESA-N 432.428 4.548 30 10 IJEE O=C1/C(=N\Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc2N1CCOc1ccccc1 59166900 JPFMMFQHMGHYQE-RRAHZORUSA-N 447.363 4.624 30 10 IJEE O=C1/C(=N/n2c(S)nnc2-c2ccccc2)c2ccccc2N1Cc1ccccc1Cl 59168353 KJKUKDLHJJJOGU-NHFJDJAPSA-N 445.935 4.686 30 10 IJEE CCCOc1ccc(N2C(=O)C[C@@H](S/C(=N/c3cccc(Cl)c3)NCC)C2=O)cc1 59446698 ZTMVHHKDZZOELS-LJQANCHMSA-N 445.972 4.791 30 10 IJEE CCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 102584756 OOUMLGFZGTUFDQ-UGUGFTGJSA-N 429.472 4.720 30 10 IJEE CC(C)(C)c1ccc(C(=O)N2CCN(c3oc(/C=C\c4ccccc4)nc3C#N)CC2)cc1 102887406 OPNYVDHCJKZIOT-ZROIWOOFSA-N 440.547 4.977 30 10 IJEE CCOc1ccc(/C=C2/Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1 110521924 PRBATJUGFGDVRF-OEAKJJBVSA-N 446.455 4.938 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1OC(C)C 169976481 YLAOEHUBDWJXTA-NRFANRHFSA-N 443.927 4.742 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@@H]2c2ccncc2)cc1 170018431 OCSNQJSBILVKFA-HXUWFJFHSA-N 438.842 4.666 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCOC(C)C)c1 170035085 KGJAVZFHHOQRBE-HSZRJFAPSA-N 448.519 4.570 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1F 170059167 YEBXUVOYTUUCKK-NRFANRHFSA-N 436.870 4.961 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)[C@H]2c2ccco2)s1 170092717 SMEQLRYYJTXXSW-INIZCTEOSA-N 432.860 4.928 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C)cc(Cl)c2OC)[C@H]1c1ccccc1OC 170125496 BKIAFAZIAWWIMO-LJQANCHMSA-N 429.900 4.654 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccncc1)c1ccc(Br)cc1 170209346 YWFLHMOKOORMNP-LJQANCHMSA-N 441.325 4.755 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2C2CCCC2)c1 170218878 BXPJHJAMGZYAAG-IBGZPJMESA-N 426.538 4.680 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2ccccc2)s1 170223256 NGAIKFKSCGDYHC-GOSISDBHSA-N 426.444 4.821 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccs2)o1 170298190 YMCYTKYUIUHJLL-QKKBWIMNSA-N 435.501 4.751 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(C)o2)c(C)c1 170304823 XQJSVLBAEMOXOQ-OAQYLSRUSA-N 432.432 4.896 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccccn1)c1cccs1 170350510 IVRGECGUNLDALU-QGZVFWFLSA-N 446.406 4.825 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2ccc(OCC)cc2)cc1 170361245 QNYGADWYSOKUTA-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccccc1)c1ccncc1 170370875 KEGFBUMWWSAOPI-IBGZPJMESA-N 440.377 4.763 30 10 IJEE Cc1cc(C)c(NN=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(C)c1 252460168 CGIAYRGXJQTGIZ-UHFFFAOYSA-N 427.464 4.739 30 10 IJEE CCOc1ccc(S(=O)(=O)NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)cc1 254478653 GLKVQUHWJWHUBQ-UHFFFAOYSA-N 439.562 4.996 30 10 IJEE C(=Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(OCc2ccccc2)cc1 254608008 NLOQVHZHBPQQAG-UHFFFAOYSA-N 440.547 4.698 30 10 IJEE N#CCCCCCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 385379478 NNYREMDCZLEGNC-JOCHJYFZSA-N 438.549 4.795 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](CO)c3ccccc3)cc2Cl)c1 429070407 CFGKHHJFLBMFBI-HXUWFJFHSA-N 435.911 4.688 30 10 IJEE N#Cc1ccnc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)c1 436008519 AMUWCWYLMXAVBS-UHFFFAOYSA-N 440.410 4.534 30 10 IJEE N#CCC[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1 440237788 GTZUTKQHWZYIRJ-PZJWPPBQSA-N 433.487 4.810 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCc1cncn1Cc1ccccc1 445603340 CFXNYAASGMYFSN-UHFFFAOYSA-N 435.528 4.719 30 10 IJEE C=CCc1cc(CNC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc(OC)c1OC 460167492 XMKQUGSNRIDJST-IBGZPJMESA-N 440.544 4.520 30 10 IJEE C=C(C)Cn1c(Cc2ccccn2)nnc1N(CC)Cc1cccc(Br)c1 460957114 JPVKKYYQMWFNRQ-UHFFFAOYSA-N 426.362 4.629 30 10 IJEE CCCc1c(NC(=O)NCC2CCN(c3ccccc3)CC2)cnn1-c1cccc(C#N)c1 470242908 VHHFFPBELMGXBH-UHFFFAOYSA-N 442.567 4.735 30 10 IJEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(Oc2ccc(F)cc2)CC1 508798799 XJPBRESMEPWDFT-UHFFFAOYSA-N 431.515 4.654 30 10 IJEE CCCc1nnc(SCc2ccc(C)cc2)n1/N=C\c1ccc(OC)c([N+](=O)[O-])c1 526804521 WHCRQMWSLHULHH-XKZIYDEJSA-N 425.514 4.630 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](c4ccc(F)cc4)C3)n2Cc2ccccc2)cc1 549499542 ITQQGHQGTBRTNI-XMMPIXPASA-N 439.494 4.582 30 10 IJEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@]2(C1)OCc1ccccc12 571823483 ICUWOYRQMPBVIU-AREMUKBSSA-N 425.536 4.649 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccccc2Cl)CC1)c1ccc(Cl)s1 586510769 ZHGSLFRWXSQQRG-UHFFFAOYSA-N 434.366 4.501 30 10 IJEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](c2nc3ccccc3o2)C1 669807704 FUCWSIJEEBEHFK-XMSQKQJNSA-N 427.508 4.666 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)/C=C(\C)c1ccccc1C(F)(F)F 759237710 LIEGMLPFMSYREL-YBHKSSGVSA-N 446.425 4.822 30 10 IJEE CC(C)c1ccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(CO)c2)cc1 762437320 HONALZRYPVEFBW-UHFFFAOYSA-O 430.553 4.785 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N(CCC)Cc1nc(O)c2ccc(Cl)cc2n1 807470745 UQCMVYRUBURVLF-LJQANCHMSA-N 436.943 4.545 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C)C[C@H]1c1ccccc1F 809926633 NWITVFHTDITHLM-AVRDEDQJSA-N 449.530 4.617 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1)c1ccc2ccccc2c1 1084422503 QMWYLONAABDFRO-UHFFFAOYSA-N 434.500 4.664 30 10 IJEE C=CCC[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)c1ccccc1 1127384821 TZWUPGKJVRGKAF-LJQANCHMSA-N 441.453 4.997 30 10 IJEE C#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)C(C)(C)C 1129738911 OBESTLRJRSNMOS-GOSISDBHSA-N 429.303 4.572 30 10 IJEE C=CCCSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 1130678928 QHVPGANTHXBESC-INIZCTEOSA-N 432.508 4.697 30 10 IJEE COc1ncc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1C#N 1134070417 CPUZHUSKRSXQFY-UHFFFAOYSA-N 437.912 4.636 30 10 IJEE C=C[C@H](C(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)c1ccccc1 1142226556 XMGIQQHIQYTMJE-VWLOTQADSA-N 428.532 4.641 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2nccc(C(F)(F)F)n2)ccc1C 1159779634 VYLGRENFNJDXFG-KRWDZBQOSA-N 432.446 4.687 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](C)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1163097218 UCBLUWJBCBASNV-AFMDSPMNSA-N 438.527 4.652 30 10 IJEE Cc1ccc(C2=NN(C(=O)CN(C)[C@H](C)c3cccc(C#N)c3)[C@@H](c3ccco3)C2)cc1 1171399401 GZTQUOUSEBFDER-NTKDMRAZSA-N 426.520 4.830 30 10 IJEE CC(=O)[C@](C#N)(CCSc1cc(C(=O)NC2CC2)c2ccccc2n1)c1ccccc1 1188479541 FBHHOMFYNVUYMD-RUZDIDTESA-N 429.545 4.660 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C 1206096167 AJLMLRYWDMXVQP-UHFFFAOYSA-N 446.960 4.719 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@H](C)N1CCCCC1 1234001182 GPDBZLPUMQDEOZ-INIZCTEOSA-N 426.374 4.550 30 10 IJEE C=CCCC1(CNC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)CCCC1 1252984456 RDNWACZQMGDTIU-MRXNPFEDSA-N 441.385 4.565 30 10 IJEE CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccc(F)cc1F 1266205307 CXINAZIYAFKQBT-JLTOFOAXSA-N 431.870 4.500 30 10 IJEE C=CCN(C(=O)c1cc(Cl)ccc1OC(C)C)[C@@H](Cc1ccccc1)C(=O)OCC 1269216233 UYHSXBGONPLKHP-NRFANRHFSA-N 429.944 4.930 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(Oc2cnccn2)c1 1276765995 GQFAUJGXDDBHQI-HNNXBMFYSA-N 426.398 4.842 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(Oc2ncccc2F)CC1 1286341275 CRIARNDJTDYPEF-QFIPXVFZSA-N 447.558 4.815 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cccc(COC)c1 1286438164 QZYOARRNFBYZBP-UHFFFAOYSA-N 434.609 4.930 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 1286438704 BIAIXKVYGDXLDO-QHCPKHFHSA-N 431.584 4.787 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(OC2CCCC2)CC1 1286499754 VLSYNGRNIVEHKP-UHFFFAOYSA-N 438.641 4.802 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1286548414 BAEOPQOIAIWIPD-KRQVXIAISA-N 429.996 4.990 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(OCCCOC)CC1 1286589666 CATQCBPHWQLGFH-UHFFFAOYSA-N 426.605 4.841 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1286637563 HLYXHQIIBUMDQI-UFYCRDLUSA-N 428.552 4.919 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1286668704 VLKWDPIQFUSLGH-UHFFFAOYSA-N 434.466 4.684 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(C)cs1)c1ccccc1 1286677882 LRRWCKIQUPAAOA-FQEVSTJZSA-N 437.613 4.783 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1286732134 KQQDVHZUFWMMHV-HKUYNNGSSA-N 432.515 4.614 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1ccnc(OC(F)F)c1 1286743256 XUGBLIGTARZVSK-UHFFFAOYSA-N 438.482 4.510 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1286743723 PWNYQSLLKPQJLN-BJKOFHAPSA-N 431.584 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCC[C@H]1CC 1286749233 NTZOLUSJGZNESA-NHCUHLMSSA-N 443.661 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1CCC(=O)NC1CCCCC1 1286753419 CDLWUCSRWYUVGJ-UHFFFAOYSA-N 427.980 4.616 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286825932 RLKLJWMCXGEYNY-VSKRKVRLSA-N 426.630 4.745 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3ccc(OCC(F)(F)F)cc3)n[nH]2)c1C 1292029354 VMQPROHKPUGBLE-ZDUSSCGKSA-N 447.461 4.508 30 10 IJEE CCN(CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)OC(C)(C)C 1292763560 FQFBKPTZXJKSMU-UHFFFAOYSA-N 425.554 4.696 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCCN1CCCC[C@H]1C 1300321709 NCTZXXHGIVENNP-DHIUTWEWSA-N 437.632 4.586 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C1CC(C(C)(C)C)C1 1300569527 NOIVDZRJCZTPEQ-UHFFFAOYSA-N 434.584 4.813 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCC1CCC(OC)CC1 1300609884 ZAFRWXZDNOPJCH-UHFFFAOYSA-N 430.980 4.662 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC(F)(F)C1 1300786638 GYPBJOIFCMAZGQ-PNLZDCPESA-N 432.490 4.985 30 10 IJEE C=C(Cl)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCCOC1 1301061311 SCQDXNWZCQMTKI-IIDMSEBBSA-N 425.360 4.766 30 10 IJEE C=CC1CCN(c2nnc(Cn3ccc4ccccc43)n2CC[C@@H](OC)C(F)(F)F)CC1 1301129985 JWIUWAHAFRBGSM-HXUWFJFHSA-N 447.505 4.651 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](c2ccnn2C)C1 1301145588 APSSKRFXMXOXEH-IBGZPJMESA-N 434.588 4.674 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1C 1301147588 GHBSKHQMADZHEJ-SFHVURJKSA-N 431.625 4.984 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@]2(CCOC2)C1 1301158531 ICIUYEXVBJSHIW-DEOSSOPVSA-N 442.629 4.798 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1Cc1nc(C(C)(C)C)cs1 1301347276 SLGRJRQMXBUGHQ-UHFFFAOYSA-N 445.596 4.730 30 10 IJEE C#CCN(C(=O)c1sc2cc(F)ccc2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1303656009 OMVZZNNQTUKBEW-UHFFFAOYSA-N 430.545 4.824 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2COc2ccc(F)cc2)c1 1304171356 GJVWKRIYVNHCIY-QHCPKHFHSA-N 430.479 4.960 30 10 IJEE Cc1ccc(-c2nc(Cn3c([C@H]4CCOC4)nnc3N(CCC#N)CCC(C)C)co2)cc1 1304295293 CAJMLOMVKSIBEG-NRFANRHFSA-N 448.571 4.560 30 10 IJEE C#CCN(c1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CCOc2ccc(Br)cc21 1306969956 ZEPOECNDYITNBN-INIZCTEOSA-N 444.310 4.930 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(c3ccc(C#N)c(Br)c3)CC2)C1 1307133450 CCQHCODRUNUZBK-KRWDZBQOSA-N 434.378 4.794 30 10 IJEE CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 1348364442 FURVCJBDXZNMRL-LJQANCHMSA-N 425.554 4.778 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CSc2ccc(C)cc2)c(C(=O)OCC)c1C 1349733237 CUZSMEFFLFUQQE-UHFFFAOYSA-N 433.551 4.615 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 1358007748 XXSZAUVFDZRLEY-GJZUVCINSA-N 434.536 4.831 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1358916556 PHCMZXGKFRCJNM-QHCPKHFHSA-N 449.643 4.588 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)c1nccs1 1359015810 GBIBWDVCJHRHIW-QGZVFWFLSA-N 446.555 4.688 30 10 IJEE C#CCSCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[C@H](CC)C1 1359051964 PQCNOHHWHVXQJZ-IBGZPJMESA-N 436.581 4.720 30 10 IJEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1359135005 PBMQHIQYOXUKFS-UHFFFAOYSA-N 445.489 4.512 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2CCC[C@H](C)C2)CC1 1359176160 NWMMCRNUAJBTOZ-NRFANRHFSA-N 437.632 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](COC(C)C)C1 1359184392 NIZMTRTZQUXXPA-FQEVSTJZSA-N 432.996 4.831 30 10 IJEE C=CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC=C(COC)CC1 1359200142 TYCHNFQROSEFCX-UHFFFAOYSA-N 449.368 4.986 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CCOC2(CCC2)C1 1359200978 YFRGCEXQPGQVGB-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CCCCCn1c(N2CC[C@H](C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359206745 ODRQPRJRNBFMBT-LWYYNNOASA-N 431.625 4.887 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 1359220446 ZEHKPESPHIKIJW-UHFFFAOYSA-N 447.574 4.508 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)o2)n1CCC1CCN(CC(F)(F)F)CC1)C1CC1 1359248509 REVOATVJIUACBQ-UHFFFAOYSA-N 437.510 4.666 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CCc1cc(C(F)(F)F)ccn1 1359277067 BCWVVUMMJZMYPA-UHFFFAOYSA-N 431.462 4.640 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)c1 1359867213 PIRQLSPNDQWLGM-UHFFFAOYSA-N 425.463 4.523 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 1359935348 GFNFCMBKYOXPSC-QXHGNLAOSA-N 444.572 4.521 30 10 IJEE C#CCN(C(=O)[C@H](OCC)c1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1360311423 UYJYSUOTULCASS-PZJWPPBQSA-N 428.326 4.512 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CSc3ccc(Br)cc32)cc1OC 1436129163 SRCSMUACJBRNAJ-MPNRVQBSSA-N 446.366 4.999 30 10 IJEE C=CCOc1ccc(CC(=O)Oc2ccc(Oc3ncc(Br)cn3)cc2)cc1 1436135090 LDOUOCXLHGIADT-UHFFFAOYSA-N 441.281 4.744 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 1441672694 PJNGKBMVCGZBRY-LJQANCHMSA-N 438.515 4.584 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)CCCN1C(=O)OC(C)(C)C 1458281252 ZYBFLCBYDFZIEG-RUZDIDTESA-N 441.572 4.660 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C 1460444467 HQTNRMNFZMJQMZ-UHFFFAOYSA-N 445.523 4.971 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)s1 1465915169 DYWNFFULHCNWTJ-MAUKXSAKSA-N 436.046 4.618 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC)[C@@H]1CCc2ncsc2C1 1469798677 DFLYHAGORIMOTI-NVXWUHKLSA-N 442.025 4.665 30 10 IJEE C=CCOc1c(Cl)cc(CNc2cc3n(n2)CCN(Cc2ccccc2)C3)cc1OC 1474247809 CDSCSGCTYPUBET-UHFFFAOYSA-N 438.959 4.738 30 10 IJEE C#CCOc1ccc(NC(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1 1476151333 XZVACMCSXJETHC-UHFFFAOYSA-N 427.220 4.802 30 10 IJEE C=CCC[C@@H](NC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)c1ccccc1 1478257816 PXCAFQPDMLQGBQ-NJDAHSKKSA-N 429.358 4.974 30 10 IJEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)C1 1503151369 GDARHKSFCJNOLO-VQTJNVASSA-N 443.542 4.895 30 10 IJEE CO[C@H](C)c1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@H](C)C2)cs1 1503921965 GLIURSSATMMZHF-BRWVUGGUSA-N 436.585 4.511 30 10 IJEE COc1ccccc1SCc1nnc(N(C)[C@H](C)CC#N)n1CCc1sccc1C 1504441708 AFJGEWJIARYNQB-QGZVFWFLSA-N 441.626 4.930 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](C)N1CCC[C@H](C)C1 1507611950 STUCHXFNIVYXKI-VXKWHMMOSA-N 437.632 4.560 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507798872 XKYLSTSZMXXAJD-HNBVOPMISA-N 434.506 4.869 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1ccc(C)s1 1507803299 GJMKKRWOJABPAR-WMZHIEFXSA-N 440.588 4.996 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)CC 1507810742 XXFVRRDIKKPKMG-SVMVAKDDSA-N 432.996 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C)C1 1507913052 VFVDFRFMKLXTSG-KRWDZBQOSA-N 428.577 4.810 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1507924625 QDBCRHBYCRWYIQ-PKTZIBPZSA-N 431.584 4.951 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(SC)CCOCC1 1508013942 MVBQSNKUPMLMNI-UHFFFAOYSA-N 437.613 4.527 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@H]1CCCO[C@@H]1C(C)C 1508025926 DUYAKJCKIRWUHR-NFBKMPQASA-N 435.572 4.619 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1Cc1ccc2c(c1)OC(C)(C)O2 1508032349 DTWRZPJYSPEWAG-UHFFFAOYSA-N 436.556 4.860 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1508037215 GQHNZFUZTGDCAF-XZOQPEGZSA-N 440.632 4.988 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCc2csc(C(C)(C)C)n2)C1 1508131881 OMDSOJBQOFCTTG-FQEVSTJZSA-N 443.661 4.789 30 10 IJEE C=CC[C@@H]1N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCC1(C)C 1524689613 PIFOVKFRWKLVQT-QHCPKHFHSA-N 446.657 4.777 30 10 IJEE CCOc1ccc([C@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c2ccccc2)cc1 1525251715 DPHGRJOUZREIOE-AREMUKBSSA-N 436.515 4.971 30 10 IJEE CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1526150721 CTOHGWMLZFTGQF-QFBILLFUSA-N 441.934 4.573 30 10 IJEE C#CCOc1cccc(OC(=O)c2cc(I)cc(C(F)(F)F)c2)c1 1528715301 KSTVYNBEGYEWSO-UHFFFAOYSA-N 446.162 4.541 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(I)cc1OC 1532324704 JPQGDWCKGOQOQM-ABAIWWIYSA-N 433.717 4.818 30 10 IJEE C=CC[C@]1(C(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)CCCN1C(=O)OC(C)(C)C 1537233590 JRDQMEFYOHURBA-BVZALQNUSA-N 436.980 4.878 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCN1CCCC(C)(C)C1 1538984355 HDPVSUJYJQGURY-RTBURBONSA-N 439.673 4.711 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1nc(C)cc1C 1538987920 XROLLGDVRKLNOG-OAHLLOKOSA-N 431.371 4.613 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC(C)(C)COC 1539568735 AACYDUKNWGYUIM-JOCHJYFZSA-N 433.021 4.889 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCc1nccs1 1539622944 IYNYKGZQMCQDTA-UZLBHIALSA-N 444.004 4.715 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1539693673 UAUHLTOHHGTYAN-LEWJYISDSA-N 425.621 4.865 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H](CC)OC)CC1 1539854207 NRHRKFLCAHRWDD-FQEVSTJZSA-N 432.996 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1539882375 JIHZQXLZOMWXTQ-IBVKSMDESA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1539888222 NWKADAWPVZMPAH-FPOVZHCZSA-N 428.552 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](CC)C1 1539907320 ZOBVUHIVFGWSTN-GOSISDBHSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@H](C)C1 1539910777 OQWPSWNEJOZVBD-IYBDPMFKSA-N 433.394 4.924 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539912106 CQEQUVXZKQLNNQ-ROUUACIJSA-N 442.608 4.615 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1CSC)c1ccccc1 1539939600 JELUCUPPGMUTLP-YPAWHYETSA-N 426.630 4.864 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)c1ccccc1 1539946374 AISFJUWWGDTUBR-FCHUYYIVSA-N 449.643 4.722 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1540012834 XJOWDCVTBYCGTA-UHFFFAOYSA-N 437.636 4.525 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(F)(F)F)cc1 1540105892 AEDSAHRKTRVBBW-KRWDZBQOSA-N 425.384 4.767 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C(F)(F)F)cc1 1540108161 YQFVHCXTPBMWHI-UNMCSNQZSA-N 443.465 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H](c1ccco1)N1CCCCC1 1540148054 ZYGOHAUKYWXZOQ-FQEVSTJZSA-N 425.602 4.915 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)CC(C)(C)C1 1540920380 WCWOFWBFWPUBGL-GOSISDBHSA-N 425.602 4.520 30 10 IJEE N#CCc1ccc(OCc2cccc(NC(=O)c3csc(Br)n3)c2)cc1 1541104397 BQPSUQWSCMZBQG-UHFFFAOYSA-N 428.311 4.803 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CN4CCC[C@@H](C)C4)cc3)n[nH]2)c1C 1543327764 QBGLECYROHVUBJ-QGZVFWFLSA-N 432.572 4.560 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)[C@@H](Oc2ccc(Cl)c(Cl)c2)c2ccccc2)n1 1543692962 VKKFEQPTEVYICK-QFIPXVFZSA-N 442.346 4.992 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)Cc1ccc(Cl)cc1Br 1544577803 HNZRMAFINWRSGD-UHFFFAOYSA-N 429.705 4.650 30 10 IJEE C#CCCOc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)CC2CCCC2)cc1 1556537283 MOSAJHJJCAHZMB-UHFFFAOYSA-N 428.573 4.636 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(C)c(Br)cc1C)c1ccc(Cl)cc1F 1561556395 QXXWMPDDUYPNSS-MRXNPFEDSA-N 430.726 4.511 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)cc1C#N 1562845071 GQVWFCPHMWMOOI-SPLOXXLWSA-N 435.484 4.532 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1 1563360281 JMSBVOFCAJDSBT-LJQANCHMSA-N 425.533 4.504 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)c1ccc(Cl)cc1F 1563534874 PFGNRNAGSBHHHN-FCHUYYIVSA-N 431.939 4.544 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1cc(Br)cs1)c1ccc(Br)cc1 1564999910 QAIUOWKNVKJJFO-OAHLLOKOSA-N 442.176 4.789 30 10 IJEE Cc1nc2cc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)ccc2n1[C@H](C)CO 1569043335 CZRHNXLGXFBXFW-MRXNPFEDSA-N 426.476 4.814 30 10 IJEE C#CCOc1cccc(NC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)c1 1585973285 LDBIKYNRHSVYLX-VWLOTQADSA-N 429.516 4.976 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1587657925 XLFOKQBQWCYELK-BDTNDASRSA-N 446.643 4.566 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1588105241 RDSKWGLIKXZWSZ-ZRZAMGCNSA-N 445.655 4.683 30 10 IJEE C#CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](COC)C1 1588985165 PDQSBQQEECPHPV-HNNXBMFYSA-N 447.029 4.652 30 10 IJEE C#CCSCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@](C)(OC)C1 1589008145 TUGSXOXKLFXLRW-XMMPIXPASA-N 426.630 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1CC[C@H](OC)C(F)(F)F 1589164690 YRBQNVCRWRBGFN-SIKLNZKXSA-N 446.517 4.708 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCSCC(C)C 1589197672 HTQMGGJOYGJEMD-XMMPIXPASA-N 434.613 4.512 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1Cc1nc(C)c(C)s1 1589250726 BFXVLLBEQLGSNP-HSZRJFAPSA-N 437.638 4.993 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@H](C)c1nc(C)cs1 1589251648 PSHVHXKSKZGXGW-QMHKHESXSA-N 439.560 4.557 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CCOc1cccc(C(F)(F)F)n1 1589642217 ZBRSWYSXDUIZKI-UHFFFAOYSA-N 446.477 4.544 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)Cc1ccoc1C 1593717848 KVEVVIBSGGVYRU-UHFFFAOYSA-N 430.936 4.738 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCOc2ncccc2F)CC1 1594192283 HADWODVJBZGKCU-NRFANRHFSA-N 435.547 4.836 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CCC(C)C)CC1 1594202406 OTFDXTYOIYAGGM-SANMLTNESA-N 448.615 4.925 30 10 IJEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCSc2ccccc2)CC1 1594448638 KNBIBJVRMFPBKX-UNMCSNQZSA-N 442.629 4.587 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1594511069 KABRWKCOOSAGBR-IEBWSBKVSA-N 431.625 4.572 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](OC)c1ccc(F)cc1 1595156665 OQEINOMORXRDIV-RXVVDRJESA-N 442.560 4.563 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@@H](C)C1 1595275688 LLTVRYJVHUBJQJ-SJORKVTESA-N 433.394 4.783 30 10 IJEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCCC2(CCOCC2)C1 1595344014 YSICJCNHKFYIKS-UHFFFAOYSA-N 431.378 4.599 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccnc1OCC(F)(F)F 1596874198 CIXPIPLGCSGTEF-UHFFFAOYSA-N 431.208 4.602 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CCc1nc2c(s1)CCCC2 1611286360 FTFNAEYAGUVKHM-OAHLLOKOSA-N 441.004 4.915 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 1617533404 FFKAANQWBLIJGA-UHFFFAOYSA-N 444.398 4.543 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(C)cc(C)cc1C 1621740658 UEKHKVPRCLJZIU-UHFFFAOYSA-N 426.351 4.890 30 10 IJEE C=CCC1(NS(=O)(=O)c2c(Br)cc(F)cc2Br)CCCC1 1622358456 PQKQCZAJFUKKMT-UHFFFAOYSA-N 441.160 4.518 30 10 IJEE C=CCCC[C@@H](C(=O)Oc1cnn2c1CN(C(=O)OC(C)(C)C)CC2)c1ccccc1 1623561269 OAJFAMCIAVNLGS-LJQANCHMSA-N 425.529 4.679 30 10 IJEE N#CCCn1ncc(C(=O)N2CCC(Cc3c(F)cccc3F)CC2)c1-c1ccccc1 1626343722 HYXMKMAUCPCOKG-UHFFFAOYSA-N 434.490 4.837 30 10 IJEE C#CCN(C(=O)[C@@H](C)Oc1ccc(F)cc1Br)[C@H]1CCCc2ccccc21 1626711321 XGQXJSYHTXCVNI-QRWLVFNGSA-N 430.317 4.895 30 10 IJEE COc1ccccc1[C@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)N1CCCC1 1628258787 FSKHUGZPFRZCIA-QHCPKHFHSA-N 441.531 4.926 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1 1631154746 LQJJEMNAVXCRCX-VQTJNVASSA-N 431.458 4.817 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 1632272739 APMUGQJDHRIDAN-ZDUSSCGKSA-N 443.356 4.833 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 1634902025 QGUFXLFBUQYQGH-UHFFFAOYSA-N 434.561 4.844 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 1635810740 SRKYGYAGWHGYHG-IBGZPJMESA-N 426.517 4.765 30 10 IJEE C#C[C@H](NC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1ccc(Br)cc1 1637663562 UWSFVILOJIHKDG-WMZHIEFXSA-N 442.353 4.654 30 10 IJEE COc1cc(OC)cc(C2(F)CCN(c3nccc(Oc4cccc(C#N)c4)n3)CC2)c1 1639837364 FNGPSAONKXLWOI-UHFFFAOYSA-N 434.471 4.623 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)ccc1Br 1642938671 AWIUWEDILFSFEN-QGZVFWFLSA-N 425.367 4.623 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 1643577023 BWBHBTQAVKWSLN-INIZCTEOSA-N 434.443 4.551 30 10 IJEE C=CCC[C@@H](NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 1653910778 HRMYIMPGRZJXRL-JOCHJYFZSA-N 449.492 4.790 30 10 IJEE COc1ccc([C@@H](NS(=O)(=O)c2cccc(C)c2C#N)c2ccccc2Cl)c(C)c1 1654317046 HJOYNDRRPPOCDC-HSZRJFAPSA-N 440.952 4.905 30 10 IJEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cccnc3Oc3ccccc3)CC2)c1 1658226419 HGXJIZZREBOQSV-UHFFFAOYSA-N 427.508 4.532 30 10 IJEE Cc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)c2ccc(F)cc2Cl)cc1 1667184044 GKNHVJQMPUNCFM-NRFANRHFSA-N 432.879 4.866 30 10 IJEE CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCC1 1668351270 HURBDFRAHDCYLV-UHFFFAOYSA-N 436.512 4.919 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1 1668527982 HPNMJMNJHMHDLH-HXUWFJFHSA-N 427.570 4.690 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1669834430 ITDQIGSMHRVZCB-HXUWFJFHSA-N 436.556 4.684 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)c1ccc(F)cc1 1671367055 BBOLAGPNGAZGAA-INIZCTEOSA-N 429.211 4.781 30 10 IJEE Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c(C#N)cc1N(C)C 1672555053 DGLQPFPSCCLXNF-UHFFFAOYSA-N 447.505 4.547 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC12CCC2 1673096569 DOQZLBKKXYDKDI-FPOVZHCZSA-N 438.572 4.557 30 10 IJEE C#C[C@H](NC(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCCC2)c1ccc(Br)cc1 1674025275 BRPRUULRZFFXSC-XUVXKRRUSA-N 433.390 4.893 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C 1677638307 AOTDXFNMAYYQAA-HXUWFJFHSA-N 427.342 4.584 30 10 IJEE COc1cc(OC)cc(Oc2cccc(CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)c2)c1 1677825486 AAGXFRXNZCWSTC-KRWDZBQOSA-N 431.492 4.928 30 10 IJEE C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1679943805 BVIGBRYWTWGWRL-YFXJRYMSSA-N 448.567 4.815 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 1680700843 TZVTVSREYHMVHQ-WIYYLYMNSA-N 440.415 4.582 30 10 IJEE C#C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1 1682344715 MPJYZQOUSBGTQD-ILWGZMRPSA-N 443.563 4.711 30 10 IJEE C=C1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)CC1 1682539308 JAKMEHXODGVLJX-TZIWHRDSSA-N 431.552 4.528 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 1684644709 MVKXULIXBNMSCP-NHCUHLMSSA-N 431.577 4.789 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ccsc1 1690055195 PLJLGRYGUFYVPV-UHFFFAOYSA-N 426.998 4.797 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCOC(C)C 1690195855 QLPIXKJIFKYFPF-XMMPIXPASA-N 435.597 4.794 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)CC 1690251405 USNBJILEDCOMGH-PGRDOPGGSA-N 432.996 4.689 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(N(C)C)CCCC2)CC1 1690364069 IODLWQHECQJYBP-LJQANCHMSA-N 427.568 4.588 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@H](C)[C@@H]1C)c1ccccc1 1690445110 RRUDHIBMOQWWFX-MIZPHKNDSA-N 433.625 4.954 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1c(C)nn(C)c1C 1690519774 XLFLXNSTKJXUJV-UHFFFAOYSA-N 436.560 4.834 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1CC[C@H]1CCCCO1 1690555970 JLRUYVATYKGRNW-HSZRJFAPSA-N 433.556 4.501 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2cccnc2)n1CC(C)(C)c1ccccn1 1690579567 NTPAEBCRYOSSPM-UHFFFAOYSA-N 444.608 4.891 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1690580024 XVOZMUPRCKCQFV-NZQKXSOJSA-N 437.613 4.579 30 10 IJEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCSC(CC)(CC)C1 1690683811 WFNSJDVIDYZJGQ-HXUWFJFHSA-N 442.629 4.507 30 10 IJEE C[C@H](c1cccs1)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCCC1 1692652319 GFDBQNLXXBYJCJ-LJQANCHMSA-N 434.613 4.952 30 10 IJEE C#CCSCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[C@@H](C)C1 1705654125 YFJRSPZBZOBDKS-QGZVFWFLSA-N 437.638 4.980 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCCC[C@@H](SC)C1 1705701741 IGTWTKVKGVEENQ-AKFKNWHVSA-N 440.657 4.880 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1SC 1705706678 YIVCQLYMNOTTDG-XUZZJYLKSA-N 449.624 4.603 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1705712009 IUVQSAMFZZYTCV-NRFANRHFSA-N 436.556 4.773 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC2(CCOCC2)C1 1705807811 OXOHABHEAUVYFH-UHFFFAOYSA-N 447.048 4.981 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@H](OC)C(C)(C)C 1705864717 KJKHSHBGNCRRBD-QFIPXVFZSA-N 437.563 4.657 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)noc1C 1705865314 IVKLKCWQDQWCKG-UHFFFAOYSA-N 440.960 4.901 30 10 IJEE COCC(C)(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1CSC 1712112201 AARBGXVOASYXRJ-HXUWFJFHSA-N 427.618 4.601 30 10 IJEE C#CCCCCn1c(N(C)Cc2cc(OC)c(OC)cc2SC)nnc1C(C)(C)C 1722321730 GIKRKHQHXPFQTB-UHFFFAOYSA-N 430.618 4.755 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1C[C@@H](C)c1nc(C)cs1 1722418598 WJYRQDUUBNRIRC-QGZVFWFLSA-N 446.555 4.688 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)c1nc(C)cs1 1722511856 OIGCWHCFVSCIKL-HNNXBMFYSA-N 425.558 4.645 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)CC1 1722530830 YVYYEJKIGHSVMZ-UHFFFAOYSA-N 441.320 4.536 30 10 IJEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1722543220 GLPJISLFMLAHGB-HNNXBMFYSA-N 441.885 4.678 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(cccc2OC)C1 1722558113 FDLUTSKTXOUUQQ-UYAOXDASSA-N 430.980 4.521 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1722567044 IUIQPTXSIMGBKO-ZJSXRUAMSA-N 438.616 4.875 30 10 IJEE C=CCCCCn1c(N(C)C[C@H](c2cccs2)N2CCOCC2)nnc1C(C)(C)C 1722611782 WTRPVJWGPNVLMV-LJQANCHMSA-N 431.650 4.503 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1C(C)C 1722623693 KPIRHOPPXHRVQT-OAHLLOKOSA-N 439.423 4.987 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722629447 RGUAVVXMXDFFFG-UGKGYDQZSA-N 449.426 4.790 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCCCN1CCCC1 1740541875 JJOQAJNVVTXLJB-QGZVFWFLSA-N 434.415 4.976 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H]2CCC[C@H]21 1740571204 XMTYFLNDTGNSMW-VQIMIIECSA-N 443.389 4.899 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1ncc(CC)s1 1740572941 CLZPOQRJFGKASK-UHFFFAOYSA-N 428.005 4.981 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1740667122 QLYDSCDBKXLNGH-RTBURBONSA-N 428.024 4.815 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCC1CCC(OC)CC1 1740677359 IZCATXNXNSNZQO-UHFFFAOYSA-N 447.558 4.714 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC[C@H](F)C2)CC1 1740825243 KUPCZWQHBMDRRU-ICSRJNTNSA-N 447.599 4.687 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2c(C)noc2C)CC1 1740837500 XINOGEGNFDZFNH-UHFFFAOYSA-N 427.936 4.663 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740867162 ZSJIDTKWAQLSAN-QFIPXVFZSA-N 428.552 4.748 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCc1sc(C)nc1C 1740921072 KJLUZEOULONUGY-UHFFFAOYSA-N 436.560 4.921 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC)n1Cc1cn2cc(Cl)cc(Cl)c2n1 1740938032 VUDWCXIZCOXBAD-UHFFFAOYSA-N 445.354 4.671 30 10 IJEE COc1cc(Cn2c(-c3cccc(C)n3)nnc2N(CCC#N)CCC(C)C)ccc1C 1748540722 FXEXLSSTVNJDOF-UHFFFAOYSA-N 432.572 4.780 30 10 IJEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1748750861 QOXASNGNMZZCBM-PMACEKPBSA-N 448.489 4.530 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCC[C@@H](C)C2)CC1 1749305759 QECMXFMRPAQZSG-HXUWFJFHSA-N 443.586 4.816 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1749331122 VLTHESQWDQZYCJ-AEFFLSMTSA-N 445.405 4.925 30 10 IJEE C=CC[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1)c1ccccc1 1749382539 NWRFLTZVHWBTHH-NFBKMPQASA-N 435.616 4.504 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN([C@@H](C)c2nccs2)CC1)c1ccccc1 1749384372 ASLNVXDTPVASAW-FPOVZHCZSA-N 436.629 4.540 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)C1CCCCC1 1749402036 HZTAVMWWKQBOMJ-UHFFFAOYSA-N 437.636 4.967 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1749512317 YARMRYSUIBQDTM-UHFFFAOYSA-N 431.968 4.620 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C 1749558388 UIZCZWMUBHNIHB-RJGXRXQPSA-N 443.680 4.743 30 10 IJEE CC1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCC(CC#N)CC3)cn2)CC1 1752205996 ASDPBGXQCVOZGJ-UHFFFAOYSA-N 449.647 4.676 30 10 IJEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(CC=C)Cc1cccs1 1760151699 LINIGITWBDKDEF-UHFFFAOYSA-N 428.565 4.798 30 10 IJEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(Cc1cccc(C)c1)Cc1ccco1 1760157356 MSCWHQZWGYIUEK-UHFFFAOYSA-N 442.567 4.661 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)N(C)Cc1ccccc1 1760172822 AATUCOROPBDKRB-UXHICEINSA-N 447.652 4.721 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)c1nccs1 1760212851 GXLNYYJNFSGDOH-SFHVURJKSA-N 449.649 4.999 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C)C1 1760311805 AYXYFOAPTCNSKL-OAHLLOKOSA-N 433.394 4.909 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(C)(C)C 1760313382 NGCWDMQZTSDNGW-CTNGQTDRSA-N 439.604 4.611 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)Cc1cc(C)cs1 1760319437 NFUSECWXWGSYLF-AVRDEDQJSA-N 438.597 4.941 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CCC(C)CC1 1760351827 MRJWCMGTRKKLRC-UHFFFAOYSA-N 425.396 4.598 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760407004 RKDBPTRHRARWCF-RQNQAMLKSA-N 438.616 4.807 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)N1CCC[C@@H](C)C1 1760467129 SYDBYRYGNHSRRX-HXUWFJFHSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)C)n1Cc1nnc(C(C)(C)C)s1 1760478695 PFALDERCBLCKKE-UHFFFAOYSA-N 435.601 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1Cc1cc(Br)ccc1OC 1760487006 HCPVVEWBQGRCRI-UHFFFAOYSA-N 447.402 4.914 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](SC)C(C)(C)C 1760494466 OPPRMWIRMJLDMT-GOSISDBHSA-N 438.601 4.550 30 10 IJEE CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1)c1ccco1 1766599345 HOYQDKOABHKHRL-QFIPXVFZSA-N 444.539 4.722 30 10 IJEE Cc1c(N=Nc2ccccc2C(=O)c2ccccc2)c(O)n(C[C@@H]2CCCO2)c(=O)c1C#N 1772741437 MVUORDFJDGPAGI-SFHVURJKSA-N 442.475 4.559 30 10 IJEE CC(C)C[C@H](C(=O)N(C1CCCC1)[C@H](C#N)c1ccccc1)N1C(=O)c2ccccc2C1=O 1858008949 NHBNVDKVUPSMTO-DNQXCXABSA-N 443.547 4.733 30 10 IJEE C=CCN(CC=C)C(=O)Nc1ncccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1C 1858814531 GHFSTUDPMRVBJS-MRXNPFEDSA-N 428.920 4.655 30 10 IJEE COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccccc3C#N)nn2-c2ccccn2)c1 1859404902 LQKXAIPVNSMILX-UHFFFAOYSA-N 429.867 4.720 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)OC)cc1 1861767930 KYJITMVONSYZOA-ZGSOLVRCSA-N 442.600 4.734 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CCC(C)C)cc1 1862419580 UMQKFNCYXXAKTN-NRFANRHFSA-N 429.463 4.988 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862451193 ZAILBYFIMIWYCC-LJQANCHMSA-N 444.871 4.578 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CCCC2)c1 1862458798 VTXWJAPZNTZZKL-FQEVSTJZSA-N 431.410 4.633 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(O)c1 1862468497 QBLOABZOOFOOPM-XIKOKIGWSA-N 430.298 4.532 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc2cc[nH]c2c1 1862468951 BGDOIZIHOKSAKK-LJQANCHMSA-N 437.293 4.695 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc2cc[nH]c2c1 1862470826 WWVFCUNZCAUFKR-IBGZPJMESA-N 439.309 4.917 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Br 1862599497 HSAKPDATJHRSPG-KPZWWZAWSA-N 430.298 4.532 30 10 IJEE COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCCC2)c1 1862626686 FXMQPVKNOUEHCS-HSZRJFAPSA-N 449.503 4.725 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@H](C)CC)cc1 1862643216 MTXWUSSJEZAJPB-QRQCRPRQSA-N 441.499 5.000 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1ccccc1C(=O)O 1862650994 IOFZGORGTPIHSJ-OYHNWAKOSA-N 429.472 4.915 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2C(C)C)cc1OC 1862683778 NGWZSFUBQGWSTC-QFIPXVFZSA-N 441.499 5.000 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cc(Br)ccc1F 1862697666 PAGVOMDSWFRUOP-GOSISDBHSA-N 448.288 4.585 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862720155 WYTRUTNEMWJYRL-OAQYLSRUSA-N 449.890 4.972 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccccc2F)c1 1862736911 PWRQBICHZGEZOM-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE Cc1cc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cc(F)ccc3F)C2=O)ccc1F 1863093898 LLDCRQRYMCSXCK-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccncc2)=C(c2c[nH]c3ccccc23)C1=O 1863817179 CSKRXSXLHKUOMA-UHFFFAOYSA-N 430.552 4.793 30 10 IJEE CCCC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C#N)c1ccc(C)cc1 1867322125 XRFLLHQSURSFTR-PMACEKPBSA-N 432.351 4.972 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc(CC)cc2)cc1 1870145109 TYFLOXQAQJJVRR-UHFFFAOYSA-N 447.539 4.678 30 10 IJEE CCCCCCCOc1cn(CCc2ccc(C)cc2)c(CN2CCOCC2)cc1=O 1870411135 VFTKBSCYZRKMCR-UHFFFAOYSA-N 426.601 4.581 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCC[C@H](C)C1 1870517439 GSKRPMGZJDGXOI-QFIPXVFZSA-N 447.664 4.736 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCCCOc2ccccc2)cn1Cc1ccco1 1870634589 JOPYPEMJBVPMDT-UHFFFAOYSA-N 434.536 4.512 30 10 IJEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870877281 WXQLIHJDEJOLFO-UHFFFAOYSA-N 447.535 4.722 30 10 IJEE C#CCOc1cn(Cc2cccc(C)c2)c(CNc2ccc(N(CC)CC)cc2C)cc1=O 1871007327 WODHYSIUDDITQT-UHFFFAOYSA-N 443.591 4.984 30 10 IJEE Cc1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccncc1)O2 1871377511 OJWOVHWUCYBCTK-OEXOGQDCSA-N 428.400 4.533 30 10 IJEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCC(CO)CC1 1871397177 PDZVAUNQJPGEDD-UKWGHVSLSA-N 434.319 4.520 30 10 IJEE CCOCCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 1871435187 YSSLBBFMAXAWMW-GEYIUBJWSA-N 430.884 4.612 30 10 IJEE C[C@@H](Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 1871450616 KMYAJTRBRQCZHY-JCRYTKJOSA-N 448.406 4.756 30 10 IJEE CCc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 1871454645 VWPOHWUWOUKOEQ-MSXFZWOLSA-N 443.455 4.611 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2F)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871459849 HHQHOMHQPGFKEP-NHDPSOOVSA-N 448.406 4.676 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4F)c3C)C2=O)cc1 1871459944 MMAHAZFVZHCBSF-XKZIYDEJSA-N 433.435 4.776 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1871940498 GQFMJAVQKFHSJB-AWEZNQCLSA-N 427.353 4.506 30 10 IJEE Cc1cc(-c2csc([C@@H](C#N)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)ccc1F 1872772970 VSIAOAZJWQGHIR-SFHVURJKSA-N 447.491 4.510 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCc3ccccc3C1)n2CCCC 1873553740 CEYQWBAOYJBXMS-UHFFFAOYSA-N 429.568 4.608 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c(NCCCOCCCC)ncnc21 1873607976 DAIIWXBPMIAPCD-UHFFFAOYSA-N 439.535 4.936 30 10 IJEE Cc1ccc(C(=O)N2[C@H](c3ccccc3)SC[C@H]2C(=O)Nc2ccccc2C#N)cc1 1873868393 ASJOCGKRUCTLBC-DHLKQENFSA-N 427.529 4.762 30 10 IJEE COc1cccc(/C=N/n2c(CCCOc3c(C)cccc3C)nnc2SC)c1OC 1874224859 GCHPOOQEVWLQPO-BUVRLJJBSA-N 440.569 4.528 30 10 IJEE CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(Br)cc1 1874265940 XSOJUYJJGDDDHZ-KEBDBYFISA-N 437.750 4.877 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccco1 1874289225 UKEWPVHWZCMRKB-ZVHZXABRSA-N 434.521 4.942 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(C(C)C)cc1 1874419751 CIJXTWFKQYVAND-PCLIKHOPSA-N 436.581 4.920 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(C)cc1 1874429291 BPYCZVVWCFWRCN-KOEQRZSOSA-N 435.597 4.876 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1OC 1874466148 SRNSUAHVXDFQAL-ZMOGYAJESA-N 438.484 4.869 30 10 IJEE COCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 1874471660 QNRFQOTWGOMCIO-WSDLNYQXSA-N 449.349 4.543 30 10 IJEE COc1ccc(/C=N/n2c(CC(C)C)nnc2SCc2ccc(F)cc2)cc1OC 1874488049 WNMIZQQKGKYIBV-ZMOGYAJESA-N 428.533 4.807 30 10 IJEE CC(C)Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(F)cc1F 1874489228 HDKYKFMURQNCIU-FOKLQQMPSA-N 431.468 4.838 30 10 IJEE CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1ccc2c(c1)OCCO2 1874509828 XHUFNBLRNGHVKQ-WYMPLXKRSA-N 446.935 4.969 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2sccc2C)c1 1874516258 OVGHAOVVJWMLFH-SSDVNMTOSA-N 425.583 4.755 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1C 1874607195 VYHSYLUSJPRXHZ-DHZHZOJOSA-N 446.459 4.825 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 1875103160 YAWUKPKYCUCRPP-JLHYYAGUSA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)COc3ccccc3)c(OC)c2)cc1C 1875108834 IXHKHAZNBCEPAC-FMIVXFBMSA-N 432.472 4.893 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC(=O)COCc1ccccc1 1875127953 HBYMTVQZWXOFHT-BUHFOSPRSA-N 432.472 4.722 30 10 IJEE Cc1cncc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2Cl)c1 1875146269 MGIGXRNRCSXWRB-GORDUTHDSA-N 435.863 4.930 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(Cl)c1OC(=O)[C@@H]1CCCO1 1875162261 FLTUYPTTZKXEHA-MEQKGCOVSA-N 436.838 4.997 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccccc3CCc3ccccc3)C2)c1 1891434506 DCOHODNGJNUOBF-QHCPKHFHSA-N 425.532 4.670 30 10 IJEE C#C[C@@H]1CC12CCN(S(=O)(=O)c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CC2 1892005122 MLVVMPMIKOVLOL-MRXNPFEDSA-N 435.467 4.922 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)c1ccccc1 1901483998 UUBKSJLSTOFYQS-DQEYMECFSA-N 439.515 4.685 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 1922085873 MADXVWDIJMQVFX-JCYRPKCISA-N 446.632 4.668 30 10 IJEE Cc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(/C=N/O)c2I)c(C)c1 2079094772 WJEMNLNXFRBLPU-JURJYWISSA-N 445.251 4.850 30 10 IJEE CC(C)(C)c1ccc(Cn2nc(C#N)c(I)c2C(F)(F)F)cc1 2079183012 IGPRTEABXUMAKV-UHFFFAOYSA-N 433.215 4.724 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Br)ccc1Cl)NCC 2110495260 OJELMPXQFXXNLZ-QZTJIDSGSA-N 443.813 4.930 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2118203835 AVWCYUZKJXVICO-AWEZNQCLSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)s1 2124686505 UZTUUGBXSSATJX-UHFFFAOYSA-N 436.331 4.659 30 10 IJEE NN[C@H](CC#CC1CCCCC1)c1cc(Br)ccc1I 2149856113 UVELGWRUVLQUFQ-MRXNPFEDSA-N 447.158 4.532 30 10 IJEE C=CCC1(NCc2ccc(Br)cc2OC)CCN(C(=O)OC(C)(C)C)CC1 2165531203 MRMYGAGALNEGTK-UHFFFAOYSA-N 439.394 4.893 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCN(c3cc(Br)cc(F)c3C#N)CC[C@@H]2C1 2174809954 GMLZBVYCFPNDFZ-ZIAGYGMSSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2181141059 HVBLTMBNYMSTTA-DOTOQJQBSA-N 436.350 4.733 30 10 IJEE N#Cc1cc(F)cc(CNc2ccc(Br)cc2I)c1 2231674160 KUWXPEBCHURJCW-UHFFFAOYSA-N 431.046 4.677 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F 2235722522 CWDOUGYQZAZDJE-CRAIPNDOSA-N 449.311 4.624 30 10 IJEE CCCN[C@H](C#Cc1ccccc1F)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2255272513 BKKVDYWKADIBEG-RPWUZVMVSA-N 440.559 4.656 30 10 IJEE C[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)c1ccccc1NC(=O)OC(C)(C)C 2265861590 ATYCZOZLJWGQTH-INIZCTEOSA-N 440.349 4.868 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc1 2266058201 NGZZQRUGGMCFAJ-MRXNPFEDSA-N 439.365 4.710 30 10 IJEE CC1(C)OB(c2ccnc(Nc3cc(F)c(Br)c(Cl)c3)c2)OC1(C)C 2266061773 KHMDNYOGXZEIEL-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE CN(Cc1cccc(I)c1)c1cc(Br)c(C#N)cc1F 2280261322 IMKJBSUGLYDIEG-UHFFFAOYSA-N 445.073 4.701 30 10 IJEE C=CCCC1([C@H](Cc2ccc(Br)c(F)c2)NC)CN(C(=O)OC(C)(C)C)C1 2281044602 DUNHUSKRCRJWHV-SFHVURJKSA-N 441.385 4.922 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296216727 NCJHYCCPNPHKAJ-UXHICEINSA-N 435.406 4.958 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 2296224151 HJVKNNPQUHQXBM-RTBURBONSA-N 433.390 4.568 30 10 IJEE CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 2296301228 SBHDJGXRNFMJOT-JOCHJYFZSA-N 446.890 4.925 30 10 IJEE CCCN[C@H](C#CC1(SC)CC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2299658927 VWJJIBTYAJSFKA-CEMLEFRQSA-N 446.657 4.752 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N[C@@H]3CCN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2301455655 HNEYRWHCWSACJI-ZISLFAKRSA-N 449.360 4.549 30 10 IJEE COc1cccc(C=C2SC(=Nc3nnc(C)s3)N(c3ccccc3)C2=O)c1OC 2314547699 KBAHMQHOSIJFSH-UHFFFAOYSA-N 438.534 4.672 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1cccc2ccccc12 2320933469 VPBZMSNQZPMFBD-UHFFFAOYSA-N 433.512 4.746 30 10 IJEE C=CCOc1ccccc1C=Nn1c(CC)nnc1SCC(=O)Nc1cc(C)cc(C)c1 2320959077 TYNJQOXRSDLGPW-UHFFFAOYSA-N 449.580 4.635 30 10 IJEE COc1ccc(OCCN2COc3cc(C)c4c(c3C2)OC(=Cc2ccccc2)C4=O)cc1 2321997567 OUUSIPYGPXORSV-UHFFFAOYSA-N 443.499 4.851 30 10 IJEE COC(=O)c1ccc(C=C2Oc3c(ccc(OC(=O)Cc4ccccc4)c3C)C2=O)cc1 2322884681 MFSPGSUTILIVFX-UHFFFAOYSA-N 428.440 4.546 30 10 IJEE CCCN(CCC)C(=O)COc1cccc(C=CC(=O)c2ccc(OC)cc2OC)c1 2323283374 ASYAGHSDDJSMAW-UHFFFAOYSA-N 425.525 4.627 30 10 IJEE CCCCC(=O)Oc1cc(C)c2c(c1)OC(=Cc1cc(OC)c(OC)c(OC)c1)C2=O 2323739817 ROYBCVVLUUSQDZ-UHFFFAOYSA-N 426.465 4.733 30 10 IJEE CCOC(=O)Cc1csc(NN=Cc2cc(Cl)c(OCC(C)C)c(OCC)c2)n1 2323854419 XEDRYFCVAWLHGK-UHFFFAOYSA-N 439.965 4.782 30 10 IJEE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2cccc([N+](=O)[O-])c2)C3=O)cc1 2323864708 KAJYDZSZPPULIX-UHFFFAOYSA-N 443.411 4.995 30 10 IJEE Cc1ccccc1C=C1Oc2c(CN3CCN(c4ccccc4)CC3)c(O)cc(C)c2C1=O 2324169599 LRAHPAGFFUJTIE-UHFFFAOYSA-N 440.543 4.947 30 10 IJEE CC(C)OC(=O)c1ccc(COc2ccc3c(c2)OC(=Cc2ccc4c(c2)OCO4)C3=O)o1 2325385300 LXJCNAXCEFMZPA-UHFFFAOYSA-N 448.427 4.769 30 10 IJEE CCSc1nnc(CCCOc2c(C)cccc2C)n1N=Cc1ccccc1C(=O)O 2326380045 JQAYLXHGEPGFAU-UHFFFAOYSA-N 438.553 4.599 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329026133 XNDPHSRHOALNHX-IBGZPJMESA-N 443.617 4.566 30 10 IJEE O=C(CSc1nnc(-c2ccccc2)n1N=Cc1cccs1)Nc1ccccc1F 2330632623 UEQJECDSWNSRGA-UHFFFAOYSA-N 437.525 4.759 30 10 IJEE C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1N=Cc1ccccc1)c1ccccc1 2330701172 ACNGZMPFPHDUDA-LJQANCHMSA-N 441.560 4.797 30 10 IJEE COc1cc(C=Nn2c(SCc3cc(C)ccc3C)nnc2[C@H]2CCCO2)ccc1O 2330961582 QTMUOSJLSDKXCM-HXUWFJFHSA-N 438.553 4.635 30 10 IJEE COc1cccc(OCC(=O)Oc2c(OC)cc(C=CC(=O)c3ccccc3)cc2OC)c1 2331165543 WWRFDGAAANDBJV-UHFFFAOYSA-N 448.471 4.593 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC(=O)CC(C)(C)C 2331398118 JQDOUPNJSQNVIP-UHFFFAOYSA-N 440.492 4.713 30 10 IJEE CCCOC(=O)CSc1nnc(CC(C)C)n1N=Cc1c(Cl)cccc1Cl 2331474691 CLEOTQHTZQPAPM-UHFFFAOYSA-N 429.373 4.711 30 10 IJEE Cc1ccc(COc2ccc(C=Nn3c(SCCCO)nnc3C3CCC3)cc2)cc1 2331541389 XYHPXDDWPLEKGY-UHFFFAOYSA-N 436.581 4.790 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C=Cc2cccs2)n(-c2ccccc2Cl)n1 2331684805 UMUGQUOHTDXUIT-UHFFFAOYSA-N 425.945 4.813 30 10 IJEE CCCCCOc1ccc(C=Nn2c(SCC(=O)OCCC)nnc2C(C)C)cc1 2331715471 UEZWEQSTEHKRAP-UHFFFAOYSA-N 432.590 4.898 30 10 IJEE CCCOc1cccc(C=Nn2c(SCC(=O)Nc3ccc(C)cc3)nnc2C2CC2)c1 2331733089 PKFWHJBLPPANJJ-UHFFFAOYSA-N 449.580 4.866 30 10 IJEE CN(C(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2334272493 QVDFYRIBGYWWLL-RSNRDBHTSA-N 439.405 4.701 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CCOc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339597346 PZITUCCTTAVWJH-IBGZPJMESA-N 444.381 4.752 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(Br)c(C#N)cc2F)CC1 2340139034 RNKHHPYQALSIAL-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([C@H](O)C#Cc3ccccc3Br)CCC[C@H]21 2358758679 SRVFAHBZLWRRJW-ONCXSQPRSA-N 434.374 4.587 30 10 IJEE CCN[C@H](C#Cc1nc(CC)cs1)c1scc(Br)c1Br 2363992548 QQGBOBCAGYCXJL-LLVKDONJSA-N 434.222 4.994 30 10 IJEE Cc1cc(CN[C@H](C)c2cc(Br)cs2)cc(B2OC(C)(C)C(C)(C)O2)c1 2369687003 YUJWLDOYFGEXFN-CQSZACIVSA-N 436.224 4.969 30 10 IJEE Cc1cc(C)cc(N/C(=N\C(=O)c2cc(C)cc(C)c2)NCCc2c(C)nn(C)c2C)c1 32973689 WPCHFIMKGYGMEE-UHFFFAOYSA-N 431.584 4.711 30 10 IJEE CCCCCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2CCOC)cc1 35443188 NUNUZYISADDFLR-KYEJRSDJSA-N 449.547 4.880 30 10 IJEE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/Nc1ccc(F)cc1)CCC2 40823801 WBYSQBXZYDIPNB-TURZUDJPSA-N 449.482 4.943 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1COc1nc2ccccc2n1Cc1ccccc1C#N 95085911 LWBLYKUVOYHXKV-HXUWFJFHSA-N 432.524 4.735 30 10 IJEE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1/N=C/C1C(=O)c2ccccc2C1=O 100772871 PJHAMZUNHGHSEY-BRJLIKDPSA-N 433.485 4.998 30 10 IJEE O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 109279346 NZTXINNMOCVWNT-UHFFFAOYSA-N 435.343 4.611 30 10 IJEE CCCOc1ccc(/C=N\n2c(S)nnc2Cc2cccs2)cc1Br 169914008 KSIFBFAOLRMACO-ODLFYWEKSA-N 437.388 4.653 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccnc2)cc1 170002991 LDCQVUSIKOTRPK-XMMPIXPASA-N 440.499 4.923 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@@H]2c2cccnc2)cc1 170011043 ZBTRHOSGTVVBAL-NRFANRHFSA-N 434.879 4.522 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccc(C)o2)cc1 170101999 RPBQRJDUCUOLHU-QHCPKHFHSA-N 442.471 4.856 30 10 IJEE N#Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@@H]2c2cccs2)cc1 170161251 PMWMLUKTTLQDET-QFIPXVFZSA-N 442.496 4.728 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1C 170163658 PKBMMPHOCDUNHW-NRFANRHFSA-N 434.517 4.547 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccncc2)c1 170201448 LMZFAHWLXLFMHO-QHCPKHFHSA-N 444.487 4.605 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 170209053 OZWWCHPILNWNOI-IBGZPJMESA-N 440.286 4.562 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2C)[C@H]1c1ccco1 170295232 NZDNQMISAVADGS-JOCHJYFZSA-N 438.568 4.806 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C)o2)ccc1Cl 170310413 HQEIICPDTLTFAM-FQEVSTJZSA-N 447.915 4.643 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)o2)cc1 170311259 VBNJEZPAVJTTBR-QFIPXVFZSA-N 435.451 4.904 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2sccc2C)cc1 170315942 YNWJQJJKKURSQE-ICSRJNTNSA-N 441.549 4.603 30 10 IJEE C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC)c1 170324476 CUSKIYRJFZAZTI-HJPURHCSSA-N 433.504 4.563 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(Cl)c1)c1ccncc1 170368698 YVYSYXPGNHFDSF-IBGZPJMESA-N 441.270 4.877 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc(O)c1)c1ccncc1 170387663 SOEFWWBPJDOLKO-IBGZPJMESA-N 440.377 4.589 30 10 IJEE N#C[C@H](C(=O)c1ccc(F)cc1I)c1cccc(Br)c1 236208664 MUNGALKLQMBGHX-ZDUSSCGKSA-N 444.041 4.683 30 10 IJEE CC(C)c1nnc2n1CCN(C(=O)c1cccc(Oc3ccc(Cl)cc3C#N)c1)[C@@H]2C 439793447 NGMNHAMXAXZBJP-OAHLLOKOSA-N 435.915 4.936 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460773491 KRONCAGPTSSLJJ-HHHXNRCGSA-N 430.596 4.560 30 10 IJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@@H]1C 477841393 GSLONIOAGAGLKJ-BXKMTCNYSA-N 425.488 4.647 30 10 IJEE Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1nc2c(cc1C#N)CCCC2 484180891 VEUXLFDZKWOYLJ-UHFFFAOYSA-N 434.496 4.846 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)O[C@@H](C)C2 505916606 GPJHIHJPHACAEO-SIXJUCDHSA-N 444.453 4.912 30 10 IJEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 508953019 SRHFXFMJKQWQSP-SFTDATJTSA-N 440.906 4.511 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(c2ccc(F)c(F)c2)CC1 519233816 VSTHNPVUGGNTFY-UHFFFAOYSA-N 448.521 4.531 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C#N)cc2)cc1O 526490135 ZSVARNQQUGKZRD-JOCHJYFZSA-N 432.863 4.983 30 10 IJEE COc1cc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)ccc1O 526803418 ZTFTWMDRKLCYAE-YSMPRRRNSA-N 448.523 4.897 30 10 IJEE C=CCNC(=O)c1cccc(-c2noc(-c3cc(-c4ccccc4)nc4onc(C)c34)n2)c1 547068713 CVKUBWUCLVZINC-UHFFFAOYSA-N 437.459 4.831 30 10 IJEE Cc1ccc(CCCC(=O)N[C@H]2CCN[C@@H](C(=O)/C=C/c3ccc(C(C)C)cc3)C2)cc1 585841217 SDINIBFWLNPNRU-KHTCCXFESA-N 432.608 4.960 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 609063852 CYADHBZIGBLZTO-RUZDIDTESA-N 445.494 4.921 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(Br)cc2Br)c(F)c1 609252758 ZVPLYLBQIZAGJY-UHFFFAOYSA-N 427.071 4.544 30 10 IJEE C=CCOCCNC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 611547687 GLHYYJZQVPFJHX-UHFFFAOYSA-N 426.416 4.697 30 10 IJEE CC(=NNC(=N)S[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 725406707 XKENEUSJIBRRMX-JOCHJYFZSA-N 442.544 4.667 30 10 IJEE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)OCc1cc(Cl)ccc1OCC#N 735341890 STDQAKLCYFKXGF-UHFFFAOYSA-N 448.281 4.945 30 10 IJEE CNC(=O)c1cc(Oc2cccc(OCc3cc(Cl)ccc3OCC#N)c2C)ccn1 751264470 TZKBDXWQCCKIKR-UHFFFAOYSA-N 437.883 4.677 30 10 IJEE Cc1ccc(N2CCOCC2)cc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 797688711 DMHUKQCSPBMAPD-UHFFFAOYSA-N 432.549 4.754 30 10 IJEE C=CC[C@@]1(C(=O)OCc2nc(-c3ccccn3)cs2)CCCN1C(=O)OC(C)(C)C 800340541 IFATUQBMNUDYBJ-QFIPXVFZSA-N 429.542 4.594 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)Cc3csc(COc4ccccc4)n3)cc2)nc1 1125460343 HXKVPGRLAOTDOF-UHFFFAOYSA-N 442.500 4.962 30 10 IJEE C=CCc1cc(CNC(=O)c2ccc(Oc3ccccc3OC)cn2)cc(OC)c1OC 1125478566 OBGIBVOACHMLIN-UHFFFAOYSA-N 434.492 4.558 30 10 IJEE C=CC1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)CC1 1126181866 RQECFTXMSMKOTB-ZEQKJWHPSA-N 432.564 4.913 30 10 IJEE C#C[C@@H](CC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 1129610441 LIOJNTJVUXEKPE-VZWFDDOASA-N 426.516 4.880 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC 1131105877 MYVKUDOELHPMPY-AUSIDOKSSA-N 446.547 4.746 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(OC)c(Br)cc2Cl)c(OC)c1 1131384746 DQZFMMQNPKEJSQ-UHFFFAOYSA-N 440.721 4.866 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)c1ccccc1 1134654387 FCXVJZMFAQRIRS-MHZLTWQESA-N 448.317 4.627 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](c1ccccc1Cl)N(C)C 1135278934 CPAHTXAVCBGUCO-GOSISDBHSA-N 426.866 4.956 30 10 IJEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2nc1O 1147578393 KRHNYPLXMFKFMV-ICSRJNTNSA-N 425.410 4.871 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(CCCCc2ccccc2)c2ccccc2)c1 1195023057 QAPRKQQJUZEDGE-UHFFFAOYSA-N 425.532 4.846 30 10 IJEE COC(=O)C1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCCCC1 1199525025 HDKGGKXKFCNNFM-UHFFFAOYSA-N 437.496 4.604 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c(Cl)c1 1209886685 DRNQVACJTBCQJG-HNNXBMFYSA-N 432.749 4.732 30 10 IJEE C=CCCC[C@@H](NS(=O)(=O)c1c(Br)ccc(OC)c1F)c1ccccc1 1213548914 SDZXTVJEXNUCMT-MRXNPFEDSA-N 442.350 4.973 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCCc2c[nH]c3ccc(F)cc23)cc1 1214912422 UTDXVCSHBFDZFB-UHFFFAOYSA-N 434.515 4.876 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(Br)cc1 1222670090 IDHPZAVMFMRWEY-CABCVRRESA-N 440.124 4.863 30 10 IJEE C=C(Br)Cn1c(N(C)Cc2ccccn2)nnc1C1(c2ccccc2)CCC1 1286548221 UYCIVFVAZUWYTJ-UHFFFAOYSA-N 438.373 4.688 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Br)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1286605241 KGKXOLHDUKKWRN-HZPDHXFCSA-N 431.378 4.535 30 10 IJEE C=CC1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CSCCS2)CC1 1286664668 ANOZPSAPWRVQID-NRFANRHFSA-N 428.671 4.704 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1286687090 MQBNQLLIFOLCEK-OFNKIYASSA-N 439.604 4.600 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H](C)C1 1286739306 XWYDJAVYKXVDBB-FQEVSTJZSA-N 449.599 4.780 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2nc(C(C)C)cs2)C1 1286807572 PKCXRKUOWOQJMW-FQEVSTJZSA-N 437.613 4.587 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 1288481104 ZSTCIJPBMNUQSO-RHDGDCLCSA-N 425.326 4.623 30 10 IJEE C=CC[C@H](C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccccc1 1289423948 BYIJYKIQEHXSQJ-BFHYXJOUSA-N 427.335 4.976 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccnc(OC3CCCCC3)c2)o1 1289521722 DQXAYPCLMBSYRX-KRWDZBQOSA-N 434.544 4.740 30 10 IJEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCCC2)C1 1293740022 AYKCSMCBWSGACQ-QHCPKHFHSA-N 448.615 4.672 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc(CC)cs2)CC1 1300135148 FYWIJBHEJCVRIJ-LJQANCHMSA-N 435.634 4.736 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCSc1nccs1 1300321063 KTNVUPXEPUYAJL-SFHVURJKSA-N 441.626 4.571 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]1CSC 1300395289 YPJFRIKFOIYYAE-CYBMUJFWSA-N 425.421 4.514 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(C2CC2)CCC1 1300519928 ANWSKDSDODIRKT-UHFFFAOYSA-N 437.385 4.669 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301142992 ASELDGRVXLGKKP-LJQANCHMSA-N 429.012 4.660 30 10 IJEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)c1cccs1 1301246659 VNJXNTGTMWVYKI-MRXNPFEDSA-N 426.542 4.525 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCN1CCCCC1 1301280834 XLLFMJLNCWQHJE-UHFFFAOYSA-N 432.410 4.514 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1301302796 MGVPWGJGSMUICP-UHFFFAOYSA-N 439.585 4.948 30 10 IJEE C=CC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1301364367 LJTDHKGUUDMSAC-UHFFFAOYSA-N 440.487 4.838 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1CC1C[C@H](C)O[C@@H](C)C1 1301411243 VZEAVJIFZBTGSK-PMACEKPBSA-N 435.572 4.680 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCO[C@H](C(C)(C)C)C1 1301467514 XDDRUDLYTGKVRJ-FQEVSTJZSA-N 432.996 4.689 30 10 IJEE C=CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)[C@H](C)CC#N 1301602062 XNNYRGLXIIZOCX-OAHLLOKOSA-N 434.407 4.674 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1301618360 PYBHDJODXNEYBM-LJQANCHMSA-N 443.636 4.784 30 10 IJEE CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1)Oc1ccccc1F 1305830407 FBMJZAWBTGGMAN-UTSGNWPNSA-N 441.551 4.646 30 10 IJEE COc1ccccc1[C@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1307451552 CRNLHKPIYPTUBY-HSZRJFAPSA-N 446.526 4.889 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NCc2cnn(C3CCCC3)c2-c2ccccc2)C1 1308671207 FHBWKYPGDXKEEE-UGKGYDQZSA-N 435.572 4.514 30 10 IJEE Cc1ccc(COc2ccc(C[C@@H](C)NS(=O)(=O)c3cccc(C)c3C#N)cc2)cc1 1309147842 BHSOXJMSBIEGHQ-HXUWFJFHSA-N 434.561 4.664 30 10 IJEE C#Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1 1311300754 ZTSKSDSTRBFLJP-JOCHJYFZSA-N 438.936 4.636 30 10 IJEE C=CCOc1ccc(CNC(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)cc1 1312336024 NJRWGVWXPKMHEM-VWLOTQADSA-N 432.520 4.857 30 10 IJEE C=CCCC[C@@H](NC(=O)N1CCC(n2ncc(C(=O)OCC)c2C)CC1)c1ccccc1 1313220799 XKFAMYHBFHMWDN-HSZRJFAPSA-N 438.572 4.812 30 10 IJEE COc1ccc(CCn2c(N(CCC#N)CC3CC3)nnc2C(C)(C)C)c(Cl)c1OC 1315464947 BEGAXELDDYGRQU-UHFFFAOYSA-N 445.995 4.619 30 10 IJEE CCCCCCCC(=O)c1ccc(OC(=O)c2ccc3c(=O)n(CC)c(O)nc3c2)cc1 1350162945 DDUZFZWIHGAEQT-UHFFFAOYSA-N 436.508 4.884 30 10 IJEE Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 1357839524 HVJHBGLTTUWBLR-UHFFFAOYSA-N 429.524 4.648 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(COC)CCCCC1 1358873927 PYVLMSKDYXQJGM-OALUTQOASA-N 428.552 4.612 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H](c1cccnc1)C(C)C 1359012936 DJQBSTZXOXTQLW-HSZRJFAPSA-N 431.584 4.768 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)SC 1359017482 GUXGJWRZSKDAFA-DUXKGJEZSA-N 444.620 4.727 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1359055813 QBTZUTUMWXDYAS-HXUWFJFHSA-N 431.005 4.533 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1359103953 VZWIPSVXTGEWAW-ASASOQJESA-N 438.616 4.678 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1359127301 NJZANCDLCDDYEI-IAGOWNOFSA-N 448.409 4.645 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)C[C@H]1CCCO1 1359145272 KWLDPWCFPWDAIV-MRXNPFEDSA-N 439.785 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1359190310 LKTLAJSVGWTRHQ-UHFFFAOYSA-N 443.595 4.966 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1[C@@H]1C[C@@H]1C 1359196938 YFCZPYNDEILKRV-GHTZIAJQSA-N 434.588 4.999 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1Cc1ccc(OC(C)(C)C)nc1 1359254674 ZJADSBOEYIHWTH-UHFFFAOYSA-N 447.583 4.977 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1Cc1oc(CC)nc1C 1359261064 VKWBMYMBMRBBCU-UHFFFAOYSA-N 446.530 4.503 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCC1(C)C 1359278029 FPRWYXKQWVUKKB-NRFANRHFSA-N 436.604 4.794 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(F)(F)C1 1359345497 HZUZSZIEIVZTQU-UHFFFAOYSA-N 436.572 4.919 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCSC(F)(F)F)C1 1360784247 BARRYNCAGKNCAD-HXUWFJFHSA-N 448.518 4.733 30 10 IJEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(CSC3CCCC3)c2)ccc1F 1360795415 DVCSQQVSZKOADX-UHFFFAOYSA-N 448.585 4.718 30 10 IJEE Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(c3ccccn3)CCC2)c1 1361144432 ICRASFLKABJSAK-NRFANRHFSA-N 444.583 4.729 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C 1436137009 UMRVAOUQSKNWTE-QHCPKHFHSA-N 438.568 4.736 30 10 IJEE C#CCN(C(=O)c1ccc(I)c(F)c1)[C@H]1CCCc2ccccc21 1439623723 IJGURCWESYVERL-IBGZPJMESA-N 433.264 4.583 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1OC 1441344211 UULDDRDEJLFBJH-YUAYGMJFSA-N 440.971 4.880 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 1441416823 FKESFUHHIUKCEI-PUHATCMVSA-N 447.535 4.864 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)n(-c2ccccc2Br)n1 1441956336 IQIPUAWLMOLCTE-UHFFFAOYSA-N 440.341 4.780 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1 1443859456 YQBKURVHLNYMOA-MSOLQXFVSA-N 444.494 4.759 30 10 IJEE C=CCc1cc(CN[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc(OC)c1O 1474085001 CHKVYMVKROYVJS-NFBKMPQASA-N 446.950 4.762 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1c(F)cc(C)cc1F 1474918921 SFAAQRVEJGEBTE-UHFFFAOYSA-N 434.277 4.552 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cn2)cc1 1475954445 DUXUCTSYYYMFNN-UHFFFAOYSA-N 442.475 4.578 30 10 IJEE C=CCCc1ccccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 1476483673 SKJQAKBIJWLAQS-FQEVSTJZSA-N 425.485 4.918 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCOC[C@H]3c3ccc(Br)cc3)cc21 1477134756 LCTDYVGIBUGGBB-FQEVSTJZSA-N 441.329 4.590 30 10 IJEE C=CCCC[C@@H](NC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccccc1 1477750170 XQCBGEYJRBYFKU-XMMPIXPASA-N 449.595 4.626 30 10 IJEE Cc1ccc(SCc2nnc(N3CCC(CC#N)CC3)n2CC[C@@H]2CCCCO2)cc1 1492455494 AGRILWITQKVHHS-NRFANRHFSA-N 439.629 4.968 30 10 IJEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1502927419 BNYLXFORODXFKV-XMSQKQJNSA-N 430.556 4.674 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nc(C(C)C)cs1 1507517698 RCRIRLGPAMVDDM-CVEARBPZSA-N 427.549 4.643 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccnc(SC)c1 1507522424 VSAXOYVRGJUZAX-HZPDHXFCSA-N 437.638 4.755 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](OCCC)CC1 1507576522 MILOSZHLRKWWDB-FQEVSTJZSA-N 445.405 4.907 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1507755674 PUBCIZHGJNALQN-MRXNPFEDSA-N 445.683 4.822 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCO[C@@H]1C(=C)C 1507763896 FWKSIRMBAKGWQA-DRMXPCRNSA-N 442.510 4.520 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(CCC(F)(F)F)CC1CC1 1507794976 GRRWODOSSUKSEK-PKOBYXMFSA-N 438.494 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N(CC)CC1CC1 1507800262 ZNELTORIAVHLMW-ICSRJNTNSA-N 445.405 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1507808728 ZFRRRAWQDZSUJQ-RRPUWOKSSA-N 444.620 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CC=CCC1 1507815583 HUFIPIOSMZOHDD-FQEVSTJZSA-N 446.599 4.995 30 10 IJEE C=C(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C1)c1ccccc1 1507854332 KKIPTFABAYVKIC-OAHLLOKOSA-N 426.362 4.606 30 10 IJEE C=C1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCCOC)CC1 1507881165 PPIQMLQSNHAJRJ-UHFFFAOYSA-N 432.977 4.633 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1CC 1507999385 KDNUAZLWZZXDEZ-VXKWHMMOSA-N 427.556 4.626 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1(C)CC1 1508037127 JRWBHILKJGTRRO-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)CC=C)C1 1508110112 SDDZQYOZFHEGNH-NRFANRHFSA-N 437.588 4.531 30 10 IJEE C=CCC[C@H](NC(=O)COc1c(Br)cc(C#N)cc1OCC)c1ccccc1 1519372933 GARGDGGVKPXXCR-IBGZPJMESA-N 443.341 4.922 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C(C)(C)C)cc1 1523246945 VFWDYXPXKBZJKZ-GOSISDBHSA-N 442.506 4.710 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1 1524759780 MXNOEMZLTIVKLG-HXUWFJFHSA-N 448.592 4.911 30 10 IJEE C#C[C@@H](NC(=O)C1(c2cccc(Br)c2)CC1)c1ccc(Br)cc1 1525049721 XCJYGRJLPZMKLC-QGZVFWFLSA-N 433.143 4.734 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc2c(Cl)cccc2nc1C 1525057048 ZGTDOOMNRULFFE-UHFFFAOYSA-N 425.868 4.940 30 10 IJEE Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(Cc1ccccc1)c1ccc(C#N)cn1 1529348271 CJQXERKBABGIOL-HNNXBMFYSA-N 441.457 4.666 30 10 IJEE C=CCOc1ccc(CN(C(=O)c2nc(CC)n(-c3ccccc3F)n2)C(C)(C)C)cc1 1529499528 FFVVCCJJZUFQRA-UHFFFAOYSA-N 436.531 4.975 30 10 IJEE C#CCOc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccc(OC)c2)cc1 1531097839 HZJDFIFBFPXXLP-UHFFFAOYSA-N 437.499 4.871 30 10 IJEE C=CCCC[C@H](C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 1532776233 YRRMHOMEKJBXET-DEOSSOPVSA-N 426.004 4.718 30 10 IJEE C#CCN(C(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C)C1CCN(C)CC1 1536122202 DWUUIBUZTUYSID-UHFFFAOYSA-N 449.624 4.527 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC1 1536950350 DNCOGBSIOLPQGD-UKIBZPOASA-N 439.353 4.552 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC2(CCCCC2)O1 1539029893 LJJYJKMKOMHTNJ-YADHBBJMSA-N 436.600 4.814 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CC[C@H](C)N1CCCCC1 1539036152 YSHJHUZDUPMRHJ-RTWAWAEBSA-N 425.646 4.601 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1539055594 DMPTUZVMCNHKNE-KRWDZBQOSA-N 445.405 4.823 30 10 IJEE C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)c1nccs1 1539077916 MTRNGLUPPRNWHC-GOSISDBHSA-N 432.597 4.850 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](c2ccccc2C)C1 1539504726 MZKJONTUZRASKT-LJQANCHMSA-N 438.000 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N(C)CCCc1ccccn1 1539624019 PRLZWKBKZQKEQP-QPPBQGQZSA-N 431.584 4.699 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1539836277 ONWZNWXJVYAANG-ZWKOTPCHSA-N 430.980 4.969 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCSCc2ccccc2F)CC1 1539887259 AJEPVFRHCGAHQS-OAQYLSRUSA-N 430.593 4.995 30 10 IJEE C=CCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C(C)C)C1 1540037138 BYCYPEZDDRYPOF-HXUWFJFHSA-N 435.037 4.693 30 10 IJEE C=CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(I)cc1)C1CC1 1540094685 OQINBANFHKNDJP-AWEZNQCLSA-N 436.341 4.599 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](OC)[C@@H](C)CC)C1 1540887115 QDYDDZJJWDSFSK-VPWXQRGCSA-N 436.959 4.580 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CN4CCCC[C@@H]4C)cc3)n[nH]2)c1C 1544302601 IKJIVMYFZVZTQP-KRWDZBQOSA-N 432.572 4.703 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 1545339749 CNKZPJINLRAJSE-YOEHRIQHSA-N 448.951 4.817 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 1559591648 BJQRRIJYJUROGV-XUZZJYLKSA-N 449.595 4.500 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NCc1nc(Br)c(Br)n1CC 1560503048 YMSORUVMJZXMLW-AWEZNQCLSA-N 427.184 4.705 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)C1 1564502213 BHRMUDYJSCFRFB-XXBNENTESA-N 435.568 4.851 30 10 IJEE C=CCCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 1583542585 CABJKPDQXWMVDS-XMMPIXPASA-N 440.609 4.618 30 10 IJEE Cc1nc(CCC(=O)N2CCc3cc(C#N)ccc32)oc1-c1ccc(Br)cc1 1583640603 DTSTXXKIFSIOAS-UHFFFAOYSA-N 436.309 4.806 30 10 IJEE C#CCN(CC#N)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)C[C@@H](C)C2 1585813981 WYQORUIFBCGNLE-SRIJWZPRSA-N 435.527 4.965 30 10 IJEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(Cc1cccc(F)c1)C(C)C 1587777904 VKBOBWIRBVBPBA-UHFFFAOYSA-N 444.558 4.874 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c(OC)c1 1587840311 HEFZEUVRDIENPK-QGZVFWFLSA-N 434.305 4.508 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1587883714 JVWRLFFFTPVUTG-WIYYLYMNSA-N 433.383 4.599 30 10 IJEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)c1nccs1 1589078683 WIWFLIOKJGZLJI-INIZCTEOSA-N 446.045 4.585 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C)C1 1589506521 XLJVGFZWYGEITM-CLCXKQKWSA-N 449.368 4.674 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(C)C)C1 1589557396 HRGBEEJCCCOVSX-RQTOMXEWSA-N 438.616 4.731 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCC(C)(C)C1 1589608304 DJGNNYPZKRENJO-UHFFFAOYSA-N 449.441 4.560 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1594472455 FFCAPUBSUHSSER-JOCHJYFZSA-N 437.632 4.851 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=C)Br 1594559344 ITOHTHKWTJXCCS-UHFFFAOYSA-N 447.377 4.808 30 10 IJEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1594803388 UAJNOIUCRCABQE-FQEVSTJZSA-N 434.588 4.596 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1cn(CCCC)nc1C 1594907339 SXYICDLGBQWKKN-UHFFFAOYSA-N 449.422 4.745 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1Cc1sc(C)nc1C 1595243928 KYKZUPRHXHBMSS-UHFFFAOYSA-N 444.564 4.767 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cscc2C(F)(F)F)C1 1595728989 IDLQLWDSMAVPKQ-OAHLLOKOSA-N 428.524 4.777 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccccc1Br 1595814704 MLKFYBADZVVIBV-CJNGLKHVSA-N 445.785 4.532 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1595889993 FUQYGAWBNIENSW-MRXNPFEDSA-N 441.551 4.585 30 10 IJEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 1612233148 COEATYFFGXRWJB-VIZSFHNOSA-N 439.604 4.745 30 10 IJEE CSCc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@](C)(C#N)C2)c1 1620248472 DNMKDFDVYZFTMF-XMMPIXPASA-N 432.597 4.690 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1621949347 LIOQBIYJDHMJBB-OAHLLOKOSA-N 432.395 4.739 30 10 IJEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 1623142564 BBBOFDWPLJFCHV-AEFFLSMTSA-N 436.512 4.577 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCc2cc(Cl)cc(Br)c2C1 1623172059 XBMSNJDFUZEXTD-UHFFFAOYSA-N 437.696 4.844 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)cc1OC 1623323227 AZWNVSAEVPQUPT-VZUCSPMQSA-N 426.476 4.850 30 10 IJEE Cc1nc2cc(NC(=O)c3cccc(COc4ccccc4C#N)c3)ccc2n1[C@H](C)CO 1624073742 GIZNBSAFGVGADG-QGZVFWFLSA-N 440.503 4.601 30 10 IJEE C=CC1(CC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CN(C(=O)OC(C)(C)C)C1 1624677631 QYCBDWYWUYDQTK-UHFFFAOYSA-N 432.524 4.982 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 1625286031 QGPNZUHTZBTZOR-NRFANRHFSA-N 428.573 4.950 30 10 IJEE C#CCC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(Br)cc3)c2)CC1 1626123285 HKBACIYEPKDKOJ-UHFFFAOYSA-N 429.314 4.624 30 10 IJEE C#CC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1628678395 KAVBOXPBQRSUPD-VWNXMTODSA-N 437.543 4.650 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)n[nH]2)c1C 1629415156 PSRAYVZOFGYQCR-UHFFFAOYSA-N 425.536 4.919 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 1632332886 DVNIFFHMQJJYKK-UHFFFAOYSA-N 445.281 4.622 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)n[nH]2)c1C 1637230727 YNFGVGMGWVNHEE-OAHLLOKOSA-N 438.601 4.936 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNc2ccc(C#N)c(Br)c2F)C1 1642492737 ZSANOKNZIKOZOU-IBGZPJMESA-N 426.330 4.909 30 10 IJEE C=CCCC[C@H](NC(=O)c1cc(F)cc(I)c1N)c1ccccc1 1644570972 FEJKZDOQKYYGAT-KRWDZBQOSA-N 438.284 4.840 30 10 IJEE C#CCN(C[C@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@@H]1CCc2ccccc21 1652348073 UIZNPBUCJAKEJR-WIOPSUGQSA-N 434.580 4.926 30 10 IJEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1652915940 DBKAZLBSDSOIQY-HSZRJFAPSA-N 437.971 4.762 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1n[nH]c(-c2ccccc2)c1Br)c1ccccc1 1653397134 REPRNVULQZAUBQ-SANMLTNESA-N 430.327 4.693 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1ccc2c(c1)CCCC2 1653969184 MDTGXAORZHSEMA-UHFFFAOYSA-N 438.362 4.844 30 10 IJEE N#Cc1ccccc1-c1ccc(Cn2c(-c3cccc(Br)c3)noc2=O)cc1 1656255748 HWJRDWIRQZZQAG-UHFFFAOYSA-N 432.277 4.853 30 10 IJEE C#CCOc1cccc(Cl)c1CN[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1656287099 BOKSDRLLYJNOCW-INIZCTEOSA-N 427.882 4.598 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CC(=O)OC(C)C)C(C)C 1662577034 HEHKRLAQSAFCSE-OAHLLOKOSA-N 427.339 4.502 30 10 IJEE CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)c1cccc(-c2ccc(OC(C)C)cc2)c1 1662799090 ANIGCXDSVLTMOD-UXHICEINSA-N 443.613 4.860 30 10 IJEE CC(C)(CO)[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cccnc1 1668709177 CROMOHIGWHSBDT-HSZRJFAPSA-N 448.498 4.553 30 10 IJEE C=CC[C@@H]1CCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2[C@@H](C)CCC[C@H]2C)C1 1672894049 CAAYVJGHJMVISI-FGTMMUONSA-N 429.561 4.537 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)[C@H]1CCCc2ccccc21 1673238788 IRKRMGIMKMFWSB-CPJSRVTESA-N 429.564 4.987 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)[C@@H]1CCCc2ccccc21 1676812442 INNGURVDAZBBHW-DHIUTWEWSA-N 432.955 4.885 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2Cc2ccccc2Br)CC1 1678370520 PDMCPHNXNCZHQX-FQEVSTJZSA-N 434.422 4.596 30 10 IJEE C=C(C)[C@@H](NC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 1678459667 KDSUVWIGTHOZSJ-GOSISDBHSA-N 425.520 4.965 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1)c1ccc(Cl)cc1F 1679007002 GRUDFNJMAANLTA-KPZWWZAWSA-N 430.842 4.711 30 10 IJEE Cc1ccc(C2(CNC(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CCC2)cc1C 1679072513 HWBWFCRKZQYLIC-UHFFFAOYSA-N 432.568 4.681 30 10 IJEE C#C[C@H](NC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C)c1ccc(Br)cc1 1680395667 POIXBNZIYXXQJN-FCHUYYIVSA-N 442.401 4.579 30 10 IJEE Cc1nsc(N2CCN(C(=O)N[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)c1C#N 1681304368 GENKVDYLUKGSJJ-KRWDZBQOSA-N 431.565 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 1682156875 RVQRQNGVHLVGSJ-NXCFDTQHSA-N 439.644 4.834 30 10 IJEE C#C[C@@H](NC(=O)N1CC(Cc2c(F)cccc2Cl)C1)c1ccc(Br)cc1 1682356382 GCSRWLWOFPRENA-LJQANCHMSA-N 435.724 4.800 30 10 IJEE C#C[C@H](NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)c1ccc(Cl)cc1F 1682366358 DKPIMYUWPHAMBH-NRFANRHFSA-N 445.325 4.915 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 1685798840 HTDALXABGJQAMK-OAQYLSRUSA-N 445.485 4.880 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC([C@]2(C)COC(=O)N2)CC1)c1ccc(C(F)(F)F)cc1 1685820510 XOOLPSCCVLRBHB-RXVVDRJESA-N 439.478 4.633 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(CC=C)CC=C 1690161629 LLKZVLIIINHJOM-UHFFFAOYSA-N 431.403 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1690238902 PATCPIWIKMNOEC-SFLYRZDNSA-N 449.599 4.756 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccccc1F 1690250628 JSPBKIASXOPFOC-HYBUGGRVSA-N 442.579 4.646 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1690309558 DDULIUAGEMCKLI-NTKDMRAZSA-N 447.583 4.837 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1cnn(C)c1 1690328215 HIHIJCBQNYRLCR-INIZCTEOSA-N 449.386 4.811 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1690350374 HZDDXDQKKQIPGU-PBHICJAKSA-N 427.351 4.798 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCCN2CCOCC2)CC1 1690368678 HSVNEYQICJTZIN-UHFFFAOYSA-N 437.632 4.511 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690372287 IEXFQSGNALUKMM-DEOSSOPVSA-N 447.631 4.654 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2CCOC(C)(C)C)CC1 1690382122 CGVHMVSVGKGLLG-UHFFFAOYSA-N 449.393 4.591 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1690435241 WAOHHQQBFKFQBX-REWPJTCUSA-N 431.584 4.833 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1690507090 CUECEXIGQFPZID-HSZRJFAPSA-N 433.600 4.859 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H]1C 1690572174 VPMVGVAXRZNLFT-SQVLJLFZSA-N 442.579 4.770 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1Cc1csc([C@@H](C)OC)n1 1690590348 VTRNNEZSUDWORI-OAHLLOKOSA-N 429.977 4.989 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1690663541 ZPGUAJLSUVESAQ-PKOBYXMFSA-N 441.645 4.593 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](c1cccs1)N(C)C 1705577934 ZHRPFXJSCNODKC-QFIPXVFZSA-N 445.636 4.680 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)(C)C 1705604082 FBSGYEOLYGRWOM-GOSISDBHSA-N 432.996 4.963 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C(C)C)N1CCCC1 1705671164 YJROALNMOKGJDX-XUZZJYLKSA-N 443.998 4.850 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[C@@H](C)C1 1705709939 UEHCGWPEKYHUOC-XWQURZDVSA-N 442.629 4.652 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCCN1C1CC1 1705719733 JFIWPABFXVUZEE-HSZRJFAPSA-N 437.632 4.893 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1705754061 PKKMAZQQYFZBRF-IBGZPJMESA-N 441.963 4.649 30 10 IJEE C=CCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705815531 ZLUCJYIEMXJTBQ-LEWJYISDSA-N 440.588 4.714 30 10 IJEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@H]1CCCO[C@@H]1C(C)C)C1CC1 1705858849 XQLLFUGVHUIVEZ-WZONZLPQSA-N 428.552 4.602 30 10 IJEE Cc1cccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)n1 1707611520 FFEHYOJNJTUXHW-LJQANCHMSA-N 440.473 4.542 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nc(C)c(C)s1 1722304356 YWWMXWHDCFMOJI-CYBMUJFWSA-N 432.018 4.803 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(C)(C)c2cccs2)c1 1722310739 ZVUXJZKTQKEVON-UHFFFAOYSA-N 447.608 4.641 30 10 IJEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCC(OC2CCCC2)CC1 1722317451 PLCBAJJNLCWADL-UHFFFAOYSA-N 436.600 4.609 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1CC(C)(C)CCOC 1722470146 CRUXENYOKWYNBP-JOCHJYFZSA-N 445.405 4.762 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)OC1CCCC1 1722491711 BLQLLDHJNYGDRY-FXAWDEMLSA-N 448.514 4.838 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722543544 QSEDRSZPRZOVBP-PUECVXPYSA-N 439.387 4.648 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)c1ccccc1 1722598022 YPUFKEIMJTYOLP-MZEQIWSPSA-N 438.616 4.611 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCC(C)CC1 1722658721 IQXLFYVHIADQMZ-OAQYLSRUSA-N 448.590 4.792 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1CCc1cc(C(F)(F)F)ccn1 1722670802 ZFVXNUATVWMKIE-UHFFFAOYSA-N 445.464 4.843 30 10 IJEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722740469 WLDRQRMYOSIQJY-IYBDPMFKSA-N 440.535 4.643 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1740565429 VLGBAJYOYZSOAJ-GOSISDBHSA-N 442.523 4.673 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)CC(F)(F)F 1740570743 SBNGFGGPCPLVHZ-UHFFFAOYSA-N 433.247 4.649 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCc1sc(C)nc1C 1740602492 VORPZTSLQMZHPB-UHFFFAOYSA-N 448.621 4.762 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@H]1C 1740844228 FYNAOTWHUZYJHW-DLBZAZTESA-N 428.577 4.808 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 1740845312 KULPPPYBZHZCCA-CQSZACIVSA-N 436.387 4.556 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740856019 OCQMKPCGIPJHCQ-CTNGQTDRSA-N 428.625 4.703 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCO[C@H]1C(=C)C)C1CC1 1740905718 FWQDRZRSZSREQV-SVMVAKDDSA-N 426.536 4.693 30 10 IJEE C=CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCNC(=O)C(C)(C)C)C1CC1 1740908394 WQVCNAOGQIYWQN-UHFFFAOYSA-N 441.645 4.593 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1740911643 DPDLFMJQOGIDIQ-RTBURBONSA-N 443.586 4.670 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1740917893 APEBWMFTDOGGGK-DHIUTWEWSA-N 444.627 4.901 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1CCNC(=O)C(C)(C)C 1740921898 MVWUAEQHUIGXLA-UHFFFAOYSA-N 441.576 4.501 30 10 IJEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2sccc2C)C1 1744240718 BPOOYHUGXOQHPR-XMMPIXPASA-N 435.597 4.968 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1748709407 UIYHULCKCHMYNY-JOCHJYFZSA-N 445.592 4.867 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1Cc1csc(-c2ccco2)n1 1748881086 BJYZDPDSYSHWJE-UHFFFAOYSA-N 447.951 4.826 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H]1CCO[C@H](C)C1 1748915023 NMELVBPHMAGVJV-HZPDHXFCSA-N 449.368 4.511 30 10 IJEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCC2(CCCCC2)O1 1748937278 DVADOBLLHVSBLJ-QFIPXVFZSA-N 436.600 4.761 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@@H]1OC 1749061028 IQCVXMORNBYDRB-XWFZLUIHSA-N 443.389 4.515 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1749091597 ADHYWGDCPFXXAR-QZTJIDSGSA-N 446.418 4.836 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C)s1 1749132775 CWIBPJLFPBAZTQ-GHTZIAJQSA-N 428.627 4.918 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1 1749137252 XEMOECNWLZOCPF-AVRDEDQJSA-N 447.410 4.944 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C1CC1 1749217140 ZWIKQPWMXHEROG-UHFFFAOYSA-N 425.758 4.552 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1749231537 USGPDVOQNZGRGW-IBGZPJMESA-N 426.561 4.530 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2OCC)nnc1N1CCS[C@H](C)C1 1749376485 ZNMHUTIUFPWHQD-GOSISDBHSA-N 430.618 4.800 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C(C)C 1749400716 LEKUALRWUQXHLE-UXHICEINSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@H]1C(C)C 1749501541 BQQQDAKVUBADBK-YWZLYKJASA-N 439.387 4.847 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1CCCC(F)(F)F 1749530288 YADDKVWQEOWNSG-GOSISDBHSA-N 438.494 4.716 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1C[C@H]1CCCCS1 1749541896 WAYWSRNKWQXQNY-LJQANCHMSA-N 425.577 4.901 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)c1cccc(C)c1 1749551023 PFKMDAUKQXXYRO-WIYYLYMNSA-N 435.597 4.595 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCCc1ccccc1F 1749551093 RJCRUZOPZHHJNV-UHFFFAOYSA-N 434.544 4.761 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCSC1 1749553488 QQDQIOQMDPVTOF-MRXNPFEDSA-N 431.656 4.641 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCc1sc(C)nc1C 1749592478 NLPPOEHYNZYRFB-UHFFFAOYSA-N 431.993 4.553 30 10 IJEE COCCN(Cc1ccc(C)o1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[C@@H]1C 1749810178 ALSGLVSBGINPSA-PGRDOPGGSA-N 433.556 4.807 30 10 IJEE C#CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOCC2(CCC2)C1 1760157765 AZQOUEXSPXIMSQ-UHFFFAOYSA-N 436.600 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1(COC)CCC1 1760288814 KIVLLYCCJUSJAG-FDDCHVKYSA-N 442.991 4.880 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(CC)C(C)C 1760320112 SEPKJGJAFDFHMX-DENIHFKCSA-N 428.577 4.568 30 10 IJEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1760361582 NNAUSPYZPIFCCP-VWLOTQADSA-N 440.563 4.916 30 10 IJEE C=CCCCCCN(C)c1nnc(CC)n1Cc1ccc(I)cc1 1760419001 DPRGMJVYNJTIJL-UHFFFAOYSA-N 438.357 4.676 30 10 IJEE C=CC[C@H](Cn1c(N2CCC(=C)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1760420183 KQLBZUAQMJEWSQ-BVAGGSTKSA-N 436.600 4.835 30 10 IJEE C=CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1760420756 VJMDZCJTQMWTFB-DEOSSOPVSA-N 449.643 4.723 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1C[C@H](C)c1ncc(C)s1 1760484970 OYWHVGZPEVATJQ-LPHOPBHVSA-N 441.576 4.682 30 10 IJEE C=CCOc1ccc(Cn2c(N3CCC[C@H](n4nc(C)cc4C)C3)nnc2C(C)(C)C)cc1 1760531374 NJMKGYLLWPOQET-QFIPXVFZSA-N 448.615 4.844 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1761077497 AYPNBGKLLFKIEB-UNMCSNQZSA-N 448.615 4.667 30 10 IJEE Cc1csc(N=C2S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)n1 1772732283 ABAXXJYBAKPRRN-HOEQWYPASA-N 426.479 4.854 30 10 IJEE CCCCCCCCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1C(=O)O 1857890359 SZCZSPONRGKLAS-UHFFFAOYSA-N 434.920 4.578 30 10 IJEE COc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3cc2C#N)cc1Cl 1858204815 SYKAFBDPQCSQAQ-UHFFFAOYSA-N 443.912 4.516 30 10 IJEE COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2-c2ccccn2)c1 1859404704 GOVTZSDIIQNMCI-UHFFFAOYSA-N 429.867 4.720 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CC(C)C)NC(=O)CCc1ccc(OC)c(OC)c1 1861087016 JLTUFFXTKZWMJG-OAQYLSRUSA-N 434.621 4.644 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(C(C)(C)C)cc1 1861813430 MMSZWRXVNOVYEM-GOTSBHOMSA-N 430.633 4.816 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1862431554 JONFKBTZXBGJRS-FQEVSTJZSA-N 429.900 4.910 30 10 IJEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2C2CCCC2)ccc1O 1862549712 VODBWSNYTGIPSE-DEOSSOPVSA-N 447.531 4.801 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)c1 1862598816 ZSAGGCSUGGSRBT-POCHDABASA-N 435.520 4.948 30 10 IJEE CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(O)cc1 1862712988 FHGSBXCLGVVMGD-HSZRJFAPSA-N 431.488 4.550 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862991659 JSNKQUBJSUWVHF-UHFFFAOYSA-N 448.482 4.614 30 10 IJEE CCOc1ccccc1NC1=C(c2ccc(F)c(C)c2)C(=O)N(c2ccc(C#N)cc2)C1=O 1863093587 WJKWVJMZTAFBJY-UHFFFAOYSA-N 441.462 4.801 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccc(F)cc3)C2=O)ccc1F 1863461040 QAKCWUWCMFOZIF-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE CC(C)(NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1cccc(C#N)c1 1866763299 LGZPDHIDSIQAID-QHCPKHFHSA-N 447.485 4.892 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1 1869005265 XUGNSKHZJNXLDY-IBGZPJMESA-N 435.406 4.674 30 10 IJEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 1870140199 DPCKNSCJYQTZDU-UHFFFAOYSA-N 430.339 4.991 30 10 IJEE COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C#N)nnn1-c1ccc(C(C)C)cc1 1870153959 JRPUAPRUVXZSKF-UHFFFAOYSA-N 430.295 4.830 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CSc1ccccc1 1870211665 MVGDNTLHDQFRBS-UHFFFAOYSA-N 434.561 4.907 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCCCC1 1870511934 KZQVCCLNHBUEDK-UHFFFAOYSA-N 447.664 4.878 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870694616 KRZNLCULGZFTLY-NHCUHLMSSA-N 434.621 4.629 30 10 IJEE C#CCOc1cn(Cc2ccccc2F)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1871008800 OCYRRCJZEIZNMZ-UHFFFAOYSA-N 430.401 4.679 30 10 IJEE Cc1c(OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)ccc2c1O/C(=C\c1ccccc1)C2=O 1871363624 HNCQYUBJCCBMDZ-XKZIYDEJSA-N 444.443 4.805 30 10 IJEE COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)cc1 1871412701 ZMBMLVHLFDNFAZ-DNPFKWNUSA-N 445.471 4.726 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(N3CCCCC3)cc2)nc(N(CC=C)CC=C)n1 1871735230 WDFZUQVRVUVMCR-UHFFFAOYSA-N 445.615 4.962 30 10 IJEE C=CCN([C@H](CC(C)C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1871762192 WEIGAHJOWJREAF-HSZRJFAPSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1872152001 RWKCONTUEBIPER-JPYJTQIMSA-N 428.598 4.924 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cc2ccccc2)cc1)S(=O)(=O)CCCC 1872288303 IQCGZRHRUNTIRL-QHCPKHFHSA-N 428.598 4.612 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c(C)c1 1872411964 ZGSUFWMWNFVHHJ-HSZRJFAPSA-N 428.598 4.986 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872419999 DGIFHRXGZFNGIE-LJQANCHMSA-N 441.380 4.896 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(F)cc1 1872493078 DWXNBSGGHJXWGF-VGOFRKELSA-N 432.561 4.618 30 10 IJEE CC(C)(C)N1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(-c4ccc(F)cc4)cs3)cc2C1=O 1872776173 JWKDFUOBBYEEBB-GOSISDBHSA-N 447.491 4.834 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873657395 CGSKJXRQIGMANF-OAHLLOKOSA-N 439.947 4.768 30 10 IJEE C=CCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)c1cc(Cl)ccc1Cl 1873675847 SCYMJHICEGRUBT-UHFFFAOYSA-N 444.343 4.772 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCCC)C12CCN(C)CC2 1873885974 BPXPWSDCUAWKOB-DEOSSOPVSA-N 441.660 4.967 30 10 IJEE CCCOc1ccccc1/C=N/n1c(COc2ccccc2OCC)nnc1SC 1874239380 FGWFYLXBBTXABI-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCOc1ccc(/C=N/n2c(COc3ccccc3OCC)nnc2SCC)cc1 1874241262 XLIJAPCAIBWCPM-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE CCCOC(=O)CSc1nnc(Cc2cccs2)n1/N=C/c1ccccc1Cl 1874414967 RUOYFGQEWHIRHD-CIAFOILYSA-N 434.974 4.511 30 10 IJEE COc1cccc(/C=N/n2c(SC)nnc2[C@@H]2CCCO2)c1OCc1cccc(C)c1 1874441879 LQJYJWBKZWZNQJ-PGLVWIQMSA-N 438.553 4.630 30 10 IJEE CCOc1cccc(/C=N/n2c(SCc3ccccc3F)nnc2[C@H]2CCCO2)c1 1874445195 AYISPBJMFUCTMB-LSCMLXDISA-N 426.517 4.842 30 10 IJEE COc1cccc(/C=N/n2c(SCc3ccc(Cl)cc3)nnc2[C@@H]2CCCO2)c1O 1874451190 UAVLWGRBNMBDDQ-KCDOPAPYSA-N 444.944 4.672 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2O)o1 1874454370 FRCWJKNARCOASL-YDZHTSKRSA-N 440.525 4.586 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1/N=C/c1cccc(OC)c1OC 1874476624 SYYKAWBEQICDCJ-ZVHZXABRSA-N 428.533 4.952 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccccc2C)n1/N=C/c1ccccc1OC(C)C 1874524309 IFGNZKCDRGGZSK-ZVHZXABRSA-N 437.569 4.549 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(C(F)(F)F)cc2)c1 1874530321 CJYUPHRPTXUFGX-OPEKNORGSA-N 447.486 4.835 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(C)c(OC)cc2C)cc(Br)c1OCCO 1874637546 GFJIURHRJNWJPT-VOTSOKGWSA-N 449.341 4.740 30 10 IJEE C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OCCCCCC)cc1 1874667492 IHYHRWWDOJENAX-RUZDIDTESA-N 447.579 4.770 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707490 IKIDAUWVDYAPPE-ZRDIBKRKSA-N 446.455 4.695 30 10 IJEE CCCCCCCCC(=O)N1[C@H](c2ccc(F)cc2)CSc2nnc(CCOC)n21 1874902033 MFAIDKCNHPOWSU-IBGZPJMESA-N 434.581 4.668 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(=O)c1cccc(C)c1 1875149744 FOWSWNDTGBSYEE-VQHVLOKHSA-N 446.455 4.856 30 10 IJEE Cc1cc(C(=O)N2CC[C@@H]3C[C@]3(B3OC(C)(C)C(C)(C)O3)C2)sc1Br 1879731496 AFONJMROUAMTSM-XIKOKIGWSA-N 426.185 4.517 30 10 IJEE C#C[C@H](C1CCC1)N(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1993810656 BHVHBPFEYPHKJR-CLJLJLNGSA-N 444.575 4.810 30 10 IJEE C=CCC1([C@@H](N)Cc2ccc(Cl)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2047972571 DTQAZDJACTUDLU-INIZCTEOSA-N 429.786 4.786 30 10 IJEE CN[C@@]1(C#N)C[C@@H](N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC2(CCC2)C1 2063638151 OYQLQTVPIWRLAS-XCZPVHLTSA-N 430.640 4.825 30 10 IJEE CN(C)Cc1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1Br 2079173291 OLPISSMOZLFFCU-UHFFFAOYSA-N 448.180 4.932 30 10 IJEE N#Cc1nn(-c2c(F)cccc2C(F)(F)F)c(C(F)(F)F)c1I 2079185720 ANMXVGGMCAJNQQ-UHFFFAOYSA-N 449.067 4.525 30 10 IJEE COc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(C#N)c2I)cc1C 2080036125 IEHGVMXACMDNJI-OAHLLOKOSA-N 443.235 4.613 30 10 IJEE CC1(C)C[C@H](Nc2cc(Br)cc(F)c2C#N)CN(C(=O)OC(C)(C)C)C1 2107444063 QFZXHVJBPKTLIV-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)C(=O)Nc1cc(Br)ccc1C#N 2181098339 MKKBTXHXNORYPP-INIZCTEOSA-N 436.350 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(c3cc(Br)c(C#N)cc3F)C[C@@H]2C1 2206331045 VZHKIKLUSDEYGN-AEGPPILISA-N 438.341 4.589 30 10 IJEE CN(Cc1ccccc1)[C@@H]1CCCCN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)C1 2220059141 PQFJNYNYJIFQKM-JOCHJYFZSA-N 440.462 4.534 30 10 IJEE CC(C)[C@H](CCCC(=O)Nc1ccc(Br)c(C#N)c1)NC(=O)OC(C)(C)C 2235315250 VRCRRBRFHSTNIH-KRWDZBQOSA-N 438.366 4.979 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2235715360 AMBZRQVWBCXJHZ-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2235729391 SKQYPJMIYKQBAF-HKUYNNGSSA-N 435.406 4.672 30 10 IJEE CCN[C@H](C#CC(C)(C)C)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408218 BTRHIFFRLKBJHC-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE Cc1cnc(NC[C@@]23CCC[C@@H]2CCN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2241049373 MLVXYUBOXYCTPM-AMGIVPHBSA-N 447.432 4.546 30 10 IJEE CC(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2247915563 FELXGBOYGXSQPJ-UHFFFAOYSA-N 427.781 4.938 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)[C@@]2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 2249368412 RAFHOGKGQRURPN-PCFUMONKSA-N 433.593 4.999 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255624688 HAVGKISTVJEGTQ-GOSISDBHSA-N 425.378 4.964 30 10 IJEE CC1(C)OB(c2ccsc2C(=O)Nc2ccccc2OCc2ccccc2)OC1(C)C 2255670490 GAJIQBYSBRFGHU-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE C=CCCC1([C@@H](NC)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2281043080 VVUNNHGMGMLKIO-SFHVURJKSA-N 439.394 4.922 30 10 IJEE CC1(C)OB(c2ccc(F)cc2C(=O)Nc2cccc(OCc3ccccc3)c2)OC1(C)C 2281773795 SZVPFYZWRNPQCU-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC1(C)OB(c2ccc(C(=O)Nc3ccccc3OCc3ccccc3)c(O)c2)OC1(C)C 2282879657 XILVTWFTPIFYOR-UHFFFAOYSA-N 445.324 4.523 30 10 IJEE C=CC[C@]1(COc2ncc(Br)c(C)c2N)CCCN(C(=O)OC(C)(C)C)C1 2287855809 YSFCJMQWPPDOQD-FQEVSTJZSA-N 440.382 4.707 30 10 IJEE C=C(COCc1ccccc1)[C@H](OCCC(=O)O)c1cccc(OC)c1Br 2292198533 BAHAGQPLGVPPRK-NRFANRHFSA-N 435.314 4.763 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296217739 XSKVTAQYZIQAJB-OALUTQOASA-N 434.374 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC(=O)C#Cc2cccc(Br)c2)C12CCC2 2296224641 MICMOORAEWGHOM-VQIMIIECSA-N 432.358 4.843 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)CC(F)(F)CCNC(=O)OC(C)(C)C 2296267792 XACWBBALKKGWLY-KRWDZBQOSA-N 445.348 4.719 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C12CCC(CC1)CN2C(=O)OC(C)(C)C 2296306892 NFDZFMACQQWQDD-IMYXXEESSA-N 433.390 4.568 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1cccc2ccccc12)NCc1ccccc1 2320902034 CLJXSPJNRFAOPL-UHFFFAOYSA-N 441.560 4.599 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccs1)C3=O)CN(CCc1nc3ccccc3[nH]1)CO2 2322415023 LLOVDJDNXUBMMX-UHFFFAOYSA-N 443.528 4.944 30 10 IJEE Cc1c(OC(=O)CNC(=O)c2ccccc2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2323054835 GJFXMZLOWVIYJM-UHFFFAOYSA-N 447.874 4.600 30 10 IJEE COC(=O)COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1Br 2323423389 NEJUFDXNZGDUTI-UHFFFAOYSA-N 429.310 4.776 30 10 IJEE CCC(=O)Oc1ccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccn2)C3=O)cc1 2323888865 NITZMSFKIUNNRA-UHFFFAOYSA-N 429.428 4.541 30 10 IJEE COc1ccc(OC)c(C=CC(=O)[C@H](C#N)c2nc(-c3ccc(F)cc3F)cs2)c1 2324472503 PTCLOWWSLZYBAF-KRWDZBQOSA-N 426.444 4.995 30 10 IJEE CCCN[C@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC1(F)F 2327090187 BNDWMCNOVLBCFF-LOSJGSFVSA-N 440.582 4.538 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(C)cc2)o1 2330576761 FZIUJPSXOPJCBW-UHFFFAOYSA-N 438.534 4.869 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3C)nnc2[C@H]2CCCO2)cc1 2330895935 HXIILUIHSPQEET-OAQYLSRUSA-N 449.580 4.668 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)cc1 2330965723 YRGGUNLGZNADNC-UHFFFAOYSA-N 429.188 4.822 30 10 IJEE COCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2331304807 FCLBCINQZAAJFC-UHFFFAOYSA-N 439.972 4.787 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccccc2F)cc1 2331440165 JWQSQOIKZLFKJD-UHFFFAOYSA-N 439.560 4.791 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(C)c3)nnc2C(C)C)cc(OC)c1O 2331685018 SXFVTVJTIUNZKA-UHFFFAOYSA-N 426.542 4.607 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(=O)C(C)(C)C 2331892240 NMYCGRWHGUSVLL-UHFFFAOYSA-N 442.508 4.959 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)c1 2339256315 XBIRQYSYGYXHQQ-UHFFFAOYSA-N 436.317 4.997 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339602022 FDHZKVJTPCESCA-ZOBSEURRSA-N 443.397 4.610 30 10 IJEE CC(C)C1(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2339604521 QKVNOWPCJGMPIM-OUKQBFOZSA-N 444.381 4.751 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)[C@@]1(C)CC[C@@]1(C)NC(=O)OC(C)(C)C 2360195713 BHQBCTVKGGINJZ-VLCRHTCISA-N 435.406 4.862 30 10 IJEE CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)C2 20884577 ILNIBVPWGJRVEA-UYAOXDASSA-N 449.547 4.885 30 10 IJEE C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccccc1C 35809372 OSCRUECOUORQHN-UHFFFAOYSA-N 430.548 4.796 30 10 IJEE Cc1c2c(cc3c1O/C(=C\c1cccs1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 41587033 UTNFHHYWRMFCKL-NKVSQWTQSA-N 433.485 4.754 30 10 IJEE COc1ccc(/N=C2\NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)N2)cc1 59238448 GWEJUZPSOVXRHB-UCQKPKSFSA-N 440.478 4.585 30 10 IJEE C/C(=N/NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C2CCCCC2)cc1 89262949 SMAWKJTVSBCGDY-HMAPJEAMSA-N 435.933 4.998 30 10 IJEE CCN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O 105535276 CCXAGGKKJZOIRD-QGZVFWFLSA-N 436.364 4.964 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 170054108 PPEBOIVIGVLDJK-QHCPKHFHSA-N 431.463 4.655 30 10 IJEE CCOc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccncc2)c1 170203280 GAXPKFNKFJZCQX-OAQYLSRUSA-N 434.879 4.917 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC)c1 170323710 JQPPIGPHTAABAY-WAIKUNEKSA-N 435.520 4.787 30 10 IJEE N#Cc1ccc(Br)cc1Nc1ncc(Br)cc1Br 232478724 SKKORDLUFHAYFE-UHFFFAOYSA-N 431.913 4.984 30 10 IJEE CC(CCc1ccc2c(c1)OCO2)=NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 254383310 DFWLQYFNWZMXTH-UHFFFAOYSA-N 440.334 4.671 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc1F 437464941 CYMSANOPXNPIRZ-UXHICEINSA-N 435.499 4.857 30 10 IJEE Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 439530942 UXVVDGMSXRETBN-QFIPXVFZSA-N 433.487 4.769 30 10 IJEE C=CCSc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 485511977 DRNZNVPXLQVQGQ-GOSISDBHSA-N 438.597 4.836 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508735863 XROXYIJBZDVLKN-JOCHJYFZSA-N 444.988 4.774 30 10 IJEE CC(C)(C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1cc(F)cc(C#N)c1 509114847 XKUBZCDQJAQASN-QGZVFWFLSA-N 436.462 4.570 30 10 IJEE CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)cc1 519456397 GLIWGROZNUTFDR-AMHTUMDSSA-N 434.536 4.858 30 10 IJEE N#Cc1cccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 526515551 JNVCJALNGMXMJU-OAQYLSRUSA-N 447.834 4.883 30 10 IJEE CCOc1ccc(/C=N\n2cnnc2SCc2ccc(C(=O)OC(C)C)o2)cc1Cl 526831220 IPXDSWIZOOVSOM-RMORIDSASA-N 448.932 4.663 30 10 IJEE N#Cc1cnc(C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)c(Cl)c1 553322672 ASGIKEQQONAJAA-FQEVSTJZSA-N 426.303 4.948 30 10 IJEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 558989073 IXFIDQSVZFNWST-UHFFFAOYSA-N 431.515 4.504 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 568605253 KQZZGNYENDZBOM-SFHVURJKSA-N 426.952 4.530 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(-c3cnc[nH]3)cc2)nnc1-c1ccc(C)cc1 671164242 XCDPKLOAWABNGI-KRWDZBQOSA-N 444.564 4.949 30 10 IJEE Cc1oc(NC(=O)COC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)c(C#N)c1C 732586249 HEHIPNSBQIEKQY-VXKWHMMOSA-N 444.487 4.633 30 10 IJEE C[C@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)c1ncc(-c2ccccc2)o1 741308578 APECAUYTZIGUMH-NSHDSACASA-N 449.410 4.729 30 10 IJEE C=CCn1c(-c2ccncc2)nn(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=S 742173545 ZAJZDTVGLBHSLX-SIKLNZKXSA-N 435.597 4.698 30 10 IJEE CCCOc1ccc(Oc2ncccc2CNC(=O)NCc2ccc(OC)c(C#N)c2)cc1 746772598 NVWUSWNINIWRIS-UHFFFAOYSA-N 446.507 4.542 30 10 IJEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCc1cccc(C(F)(F)F)c1 766839992 FULGVEKWMBEMSD-HNNXBMFYSA-N 438.833 4.956 30 10 IJEE CC(=O)c1c(C)[nH]c(-c2csc(=Nc3ccccc3C#N)n2CCc2cnccn2)c1C 774592976 JYVQKYRGBSFTTJ-UHFFFAOYSA-N 442.548 4.501 30 10 IJEE C=CC[C@H](NC(=O)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1)c1ccncc1 785559366 HFOOEQKJFXEMOH-GMAHTHKFSA-N 433.577 4.906 30 10 IJEE C=CCn1c(CCN2CCCCC2)nn(CN2CCC(F)(c3ccccc3)CC2)c1=S 788373175 PYGPUIOHHJKLTD-UHFFFAOYSA-N 443.636 4.547 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 804453272 WFOZKDGHFPTARS-JOCHJYFZSA-N 448.632 4.934 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@@H]1C 916564549 ARAUSMXSUHUASL-ZFWWWQNUSA-N 448.972 4.842 30 10 IJEE O=C(NCCc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1084119127 JRZCIGBSYOPPES-HSZRJFAPSA-N 443.572 4.567 30 10 IJEE Cc1cc(C=NNC(=S)Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084270759 BTLKYPDPZOCMEC-UHFFFAOYSA-N 426.929 4.766 30 10 IJEE O=[N+]([O-])c1ccc(NN=C(CSc2nc3ccccc3[nH]2)c2ccc([N+](=O)[O-])cc2)cc1 1084496954 YDTSHYKSHLGANX-UHFFFAOYSA-N 448.464 4.988 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](C)[C@@H]2C)c1 1126479753 AMVPRIPIAIVKAB-ROUUACIJSA-N 447.000 4.982 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 1128546124 HIMBKUVTMDENTB-DLBZAZTESA-N 434.754 4.971 30 10 IJEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 1129156253 GOCXBTVAPBILKC-QFIPXVFZSA-N 427.895 4.871 30 10 IJEE C#C[C@H](NC(=O)C1(c2cc(OC)cc(OC)c2)CCCC1)c1ccc(Br)cc1 1129731341 UCLLFVWCCVPPOC-NRFANRHFSA-N 442.353 4.769 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 1144139773 LXDVPLAYGNWRRD-SFHVURJKSA-N 438.355 4.742 30 10 IJEE CC#CCSc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1Cl 1164587983 MUOGSTYYGZUGIK-UHFFFAOYSA-N 433.758 4.976 30 10 IJEE COc1ccc(C[C@](C)(CO)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1 1214868455 GYEVJHFLEULAEV-AREMUKBSSA-N 445.519 4.783 30 10 IJEE CC(C)CC[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccc(Cl)cc1 1224065128 HZEORIYTDHMZCU-YZGWKJHDSA-N 448.995 4.876 30 10 IJEE N#Cc1ccc(N2CC[C@@H](C(=O)NCC3(c4ccc(Cl)cc4)CCCC3)C2)c(F)c1 1264780766 BDVCUICBUXUWRX-GOSISDBHSA-N 425.935 4.805 30 10 IJEE C=CC[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(Cl)c(Cl)c1 1270234896 GNCFCKGTTQNXSM-GQNMWPQZSA-N 439.339 4.655 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCC(C)CC2)cc1 1286440893 MRCBGJISTPYLNE-UHFFFAOYSA-N 449.002 4.738 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1286640087 FDRLMTSQICCFQA-IRXDYDNUSA-N 430.980 4.967 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C2CCCCC2)N(C)C)CC1 1286655556 RPGMDQMNRQMGIB-HSZRJFAPSA-N 425.596 4.997 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCCN2CC)CC1 1286656347 VPCFSYKJSQRDDG-FQEVSTJZSA-N 445.558 4.823 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)c1ccccc1 1286678948 HOFFAJQTFSEIMQ-KRWDZBQOSA-N 432.494 4.589 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286690329 HQYLAWOPWUPPLI-UHFFFAOYSA-N 426.508 4.635 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(OC(C)(C)C)nc1 1286758516 PGOYRGLJEDJHCL-UHFFFAOYSA-N 435.547 4.807 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCS[C@H](CC)C2)cc1 1286795454 ZHIPOYSGNNEHGT-OAQYLSRUSA-N 435.597 4.593 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCSC(C)(C)C1 1286827717 XXLBONMFAMITIJ-UHFFFAOYSA-N 448.658 4.603 30 10 IJEE Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCC1(O)CCC1 1289275339 AQVHKMXYKBUCHU-MSOLQXFVSA-N 445.995 4.732 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 1296466177 MXSAJGOVKAPPQJ-RUZDIDTESA-N 426.516 4.920 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 1297377782 AOTYFJVCISMPQX-OAQYLSRUSA-N 431.374 4.536 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 1297723758 HDIVUITYIXFKGX-HXUWFJFHSA-N 448.608 4.521 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCCC(F)(F)F 1300277024 VCYRKFNTCFSXKG-NSHDSACASA-N 433.247 4.647 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC[C@H]1C 1300319273 AFAZNPWBDDRYAL-IXDOHACOSA-N 431.378 4.514 30 10 IJEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCCOC1CCCC1 1300474994 AUCORKLPSWBPIH-UHFFFAOYSA-N 437.371 4.583 30 10 IJEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1ccccc1C 1300830725 JUTGPKJQOZQQJT-HKUYNNGSSA-N 449.393 4.561 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1301072240 GIIAUOVJSZIEJL-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 1301145877 KOCLBTGCLKKSBI-INIZCTEOSA-N 447.509 4.932 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@](C)(O)c1ccsc1 1301272131 BZBFDJKHWADCFS-MBSDFSHPSA-N 426.586 4.626 30 10 IJEE C=CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1301436059 KMUJJSCOYWSVCB-SFHVURJKSA-N 441.645 4.593 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(C)(C)C)C2)cc1 1301530447 VCZORJLHCJLKMJ-JOCHJYFZSA-N 448.615 4.625 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@H](OC)C(C)C)C1 1301541920 GKUZWUIARURIMI-SXLOBPIMSA-N 444.645 4.584 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(CC3CCCC3)n2CCOc2cccc(Cl)c2)C1 1303939538 HOBRLVNQOXHQCH-HSZRJFAPSA-N 427.980 4.873 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)c1 1307273608 BFZKMLXXTKOONK-LJQANCHMSA-N 448.596 4.830 30 10 IJEE C=CCn1c(S[C@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccccc1C 1307312313 PISWUCSCDPESFS-HXUWFJFHSA-N 425.529 4.845 30 10 IJEE Cc1oc(NC(=O)CN(Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H](C)[C@H]2C)c(C#N)c1C 1307441702 AFXCAUIGHDHSCX-GCKMJXCFSA-N 437.540 4.762 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1OC 1308425454 ITQNHTBSNOEPAO-LAUBAEHRSA-N 445.401 4.775 30 10 IJEE C#CC1(NCc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)CCCC1 1308499324 CVWUSMAAEWUCHF-UHFFFAOYSA-N 430.907 4.541 30 10 IJEE C=C1CCC(CNC(=O)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)CC1 1312128392 GCKDJWVCOKFPJH-XMMPIXPASA-N 440.609 4.788 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21 1313194750 GQAYRQOWSVBOAO-NJDAHSKKSA-N 427.342 4.807 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCO[C@@H](C(C)C)C1)c1ccc2c(c1)OCO2 1347908556 COISVIPYJLNOLK-YADARESESA-N 437.536 4.965 30 10 IJEE N#Cc1ccc(OCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1Br 1348840115 DQLHFGLEIKXADJ-UHFFFAOYSA-N 447.292 4.677 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)cc1 1351801737 HXBJJPRMQQIWCC-UHFFFAOYSA-N 425.484 4.619 30 10 IJEE CCC[C@@H]1CCc2nc(NC(=O)COc3cccc(Br)c3C#N)sc2C1 1352377237 BZDJQCJJKJVDBF-GFCCVEGCSA-N 434.359 4.700 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 1353646410 RPXLQUCSCICVMC-UHFFFAOYSA-N 430.220 4.843 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)cc1OC 1355376801 HLFDLVJZSKEYIR-CGFGLISPSA-N 449.938 4.965 30 10 IJEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@](C)(CC)C1 1358933791 FKSMWWXIPRHYDV-OAQYLSRUSA-N 431.378 4.659 30 10 IJEE C=C(Cn1c(N(C)C[C@H]2CC=CCC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1359140640 IEQIQNRGTROGHB-BKMJKUGQSA-N 436.600 4.825 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCC2CCC(OC)CC2)CC1 1359180678 OETASPCOLSMYIJ-UHFFFAOYSA-N 429.634 4.632 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(C)CCCO1 1359264838 RBNBLZGPAIXSTE-XMMPIXPASA-N 438.597 4.989 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[C@H]1C 1359274515 PQIMSDKUCPDPAR-AQNXPRMDSA-N 429.609 4.965 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCc1cccc(C)n1 1359276699 MYWBPURNHZGZSF-UHFFFAOYSA-N 438.535 4.591 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)c1 1435004887 LPPMUBMEFYEUJP-UHFFFAOYSA-N 431.488 4.828 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1 1452992376 BDTRCXGWUXXFHK-VQTJNVASSA-N 430.470 4.763 30 10 IJEE C=C(C)[C@@H](CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC 1456128057 XLYYRKJRKDBSMR-FGZHOGPDSA-N 430.589 4.786 30 10 IJEE C=CC[C@]1(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1C(=O)OC(C)(C)C 1460201345 AQNASIVEMJZHLE-YADARESESA-N 443.544 4.647 30 10 IJEE C#C[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)c1ccc(Br)cc1 1460784851 KBOBDNLZKDUYTN-IBGZPJMESA-N 428.717 4.701 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1462590567 ZROURWILAHQALM-DEOSSOPVSA-N 432.992 4.965 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)c1ccccc1 1463357016 NAUHBJCHVSGBJF-QGZVFWFLSA-N 447.379 4.616 30 10 IJEE Cc1ccc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)c(O[C@@H](C)CC(C)C)c1 1469389516 HEYUALDBKMJIAC-IBGZPJMESA-N 440.613 4.773 30 10 IJEE C=CCC1(NC(=O)N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCCCC1 1469578398 UIGHTAJWHAFVFZ-IBGZPJMESA-N 437.506 4.775 30 10 IJEE C=CCONC(=O)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br 1470185750 PLAHRVXUOKEAMW-KRWDZBQOSA-N 427.701 4.942 30 10 IJEE C#CCOCCN(C)C(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1 1472438214 OSSNMUBKOFDCOG-LYBHJNIJSA-N 431.557 4.976 30 10 IJEE C=CCO[C@@H]1CCN(CC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)C1 1473305191 WFBMQTSFBZVRDP-HSZRJFAPSA-N 444.579 4.680 30 10 IJEE O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 1474333625 AKWMOTZIMIQZDM-UHFFFAOYSA-N 434.355 4.821 30 10 IJEE C[C@@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)c1cc(Cl)ccc1OC(F)F 1478343125 GMWCGJVVNVUKCZ-CQSZACIVSA-N 448.901 4.842 30 10 IJEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cc(Br)cs1 1492555996 AEDRDXLUKMVFJA-AWEZNQCLSA-N 430.375 4.864 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](OCC(C)C)C1 1507575648 HHXTWMHCJFLOQB-IBGZPJMESA-N 445.405 4.681 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCCN1CCC 1507678737 CDMQVQIEPFCKBG-XZOQPEGZSA-N 437.632 4.759 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCCOCC 1507761543 OYFSWZJHVNQZKL-XMMPIXPASA-N 435.597 4.796 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCSC(C)(C)C1 1507800157 ZFBKNEMWSHTNLI-IEBWSBKVSA-N 433.021 4.912 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(C(C)C)CC1 1507811397 QQPOUPOEXGZRTL-HYBUGGRVSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCCc1nc2c(s1)CCCC2 1507819488 SEHMJSHMCISAKA-IBGZPJMESA-N 429.634 4.890 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1507918537 DOYMJTLKPZVDLN-QFIPXVFZSA-N 448.036 4.528 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(C)C)C1 1507919448 NOAKVDRTSHEFRK-QFIPXVFZSA-N 426.605 4.535 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)[C@H]1C 1507953582 KTXBHOSPPMXYOP-KURKYZTESA-N 435.638 4.647 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508051620 ZKSLORDKJQOYEP-INIZCTEOSA-N 449.958 4.759 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)c2nccs2)C1 1508123626 JEGUEOXPPUDPNC-QFBILLFUSA-N 444.004 4.564 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc(OCC)c(OC)c2)s1 1525531639 CEQQZIXMLXOBTJ-UHFFFAOYSA-N 426.991 4.562 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC(C)(C)CC#N)c1cccc(Cl)c1Cl 1527971611 DKDGFDYOGFMSPC-INIZCTEOSA-N 428.360 4.957 30 10 IJEE C=CC[C@@H](C(=O)NC1CCN(Cc2cccc(Br)c2)CC1)c1ccccc1 1528423789 MGAOJKNHZJSBNO-JOCHJYFZSA-N 427.386 4.890 30 10 IJEE C=CCn1cc(CNC(=O)c2cccc(CSc3c(Cl)cccc3Cl)c2)nn1 1529543855 LAHNMROUISUNOE-UHFFFAOYSA-N 433.364 4.993 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN(C)C1CCCCC1 1539001492 CAIYYXBVKFIIIC-FQEVSTJZSA-N 432.616 4.549 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1539139269 CKRDVOZZGJKKND-UHFFFAOYSA-N 449.411 4.661 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@](C)(O)c2ccco2)CC1 1539828390 JOZSZQPAWPBOOV-GAJHUEQPSA-N 442.947 4.729 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 1539939410 GONDSFCTIMLZOI-QFIPXVFZSA-N 447.583 4.559 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539981932 KMNMBXMVQAHJLF-RBUKOAKNSA-N 438.551 4.641 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCC[C@@H]1C 1540139677 DMQISCQHGBABOR-MHECFPHRSA-N 433.581 4.622 30 10 IJEE Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC[C@@H](C)C2)cc1C 1542423849 ALEZSBPXPMXBHV-DYESRHJHSA-N 434.588 4.714 30 10 IJEE CCOc1cc(/C=N\N=C2/S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 1554646204 QSLKTOWGYLEFAO-DOSRWIIRSA-N 447.516 4.891 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C 1556660254 JOEYLRCHVYGAJS-HZPDHXFCSA-N 447.016 4.675 30 10 IJEE C#CCN(Cc1cncc(Br)c1)[C@@H]1CCOc2ccc(Br)cc21 1559544947 LOFKLRAOYWWIHE-QGZVFWFLSA-N 436.147 4.566 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@@](C)(O)c2cccc(Cl)c2)cc1OC 1560430404 KNBKTCUNNLUJSY-HXUWFJFHSA-N 440.765 4.673 30 10 IJEE C=CCCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)c1ccccc1 1562369986 AIYLKLJQWAPQLE-JTHBVZDNSA-N 442.581 4.858 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1)c1ccccc1 1565651939 RAGKNTJFTQDYSJ-HXUWFJFHSA-N 436.581 4.582 30 10 IJEE COC1(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)CCN(C(=O)OC(C)(C)C)CC1 1584028418 AMZHKTZYUBICMB-LSDHHAIUSA-N 447.601 4.660 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1 1585279263 NHVMESLQSIZHNA-URXFXBBRSA-N 434.580 4.953 30 10 IJEE C#CC[C@]1(C(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)C 1587693223 IMVZGMGEOMPRDZ-XMMPIXPASA-N 444.528 4.732 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCC2(CCCCC2)O1 1588238331 QYTSVGPFYXLJPC-XMMPIXPASA-N 430.596 4.522 30 10 IJEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCc2sccc2[C@H]1CC 1589089521 SPAGNRIKWWEEQA-HXUWFJFHSA-N 440.613 4.950 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)OC1CCCC1 1589570552 VKXOMJQCBQTBJI-HYBUGGRVSA-N 440.588 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)(C)C)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1589663570 OTWINCOYUMNENO-IBGZPJMESA-N 433.641 4.916 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1Cl 1594449478 ZCMKMVPULHLSAS-UHFFFAOYSA-N 438.963 4.818 30 10 IJEE C=CCN(c1nnc(-c2cc3ccccc3o2)n1CCCN(C)CC(F)(F)F)C1CC1 1595033344 GFDZIZWIOHGVDA-UHFFFAOYSA-N 433.478 4.730 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCO[C@@H]1CCCC[C@H]1C 1595133942 PDGGGJOIEYBACP-KJXAQDMKSA-N 442.579 4.709 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]2CCC[C@@H]21)C(C)C 1595170694 HWXYIMJQMRKSEJ-UARRHKHWSA-N 441.664 4.640 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCC(F)(F)C1 1595275632 JLKGRSPOUBSVKZ-IBGZPJMESA-N 429.515 4.671 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)c(OC)c1 1598327366 SQRDCCWTPSURHQ-XMMPIXPASA-N 433.470 4.844 30 10 IJEE N#CCC[C@@H](NC(=O)c1ccc(N2N=C(Cc3ccccc3)CC2=O)cc1)c1ccccc1 1611062866 DUHJIIIUKKTTRQ-RUZDIDTESA-N 436.515 4.797 30 10 IJEE CC(C)(C)CN(CCC#N)C(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1616640509 BMAUMFYJKUONFN-UHFFFAOYSA-N 433.961 4.543 30 10 IJEE C=CCOc1ccc(CNc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1OC 1620927801 PYYSIOROVUPRDT-UHFFFAOYSA-N 444.597 4.745 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3nc4ccccc4n3CCC(C)C)n[nH]2)c1C 1621158309 SFFXHOMZPHDVGV-UHFFFAOYSA-N 431.544 4.724 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 1621988501 IFPTYZYSXGDUBS-UHFFFAOYSA-N 441.453 4.771 30 10 IJEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 1622858070 HREQQFHFRZSPFL-GMAHTHKFSA-N 439.437 4.914 30 10 IJEE C=CCc1cc(CNC(=O)Nc2cc(F)cc(F)c2Br)cc(OC)c1OC 1623752563 CMQNNJRVPCSQCA-UHFFFAOYSA-N 441.272 4.795 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1 1626199339 YTWSEHGJKONNHG-UHFFFAOYSA-N 440.569 4.586 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)cc2n1 1626675875 IEZFEIMANSATLP-QFIPXVFZSA-N 428.458 4.615 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)nc1C 1627230239 MOVIBOXKACQDLA-CWRNSKLLSA-N 449.646 4.601 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)CCCN1C(=O)OC(C)(C)C 1627271828 ILHZTZUJJPYMQP-HSZRJFAPSA-N 444.553 4.972 30 10 IJEE CCOC(=O)[C@H]1[C@H](C)N(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](C)C[C@H]1C 1627767287 CZHZLUONUPCUIZ-XMODTWTHSA-N 434.536 4.576 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Br)ccc1Br)C(C)C 1628249202 NDPYGZIEHXRRSS-KRWDZBQOSA-N 444.211 4.640 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814414 SVHQBIRFCHKXPU-IBGZPJMESA-N 442.600 4.613 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(Cl)cc1F 1636570817 OANAAGMLXVYVOT-PMACEKPBSA-N 428.891 4.526 30 10 IJEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2 1636631311 LFVOFDPRLWIQFW-UNMCSNQZSA-N 440.584 4.771 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2cc(Br)no2)c1 1636940320 DCHMVHKTHASJET-UHFFFAOYSA-N 432.661 4.684 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 1637536241 ZJVBKGNPWVPSJX-UHFFFAOYSA-N 436.394 4.802 30 10 IJEE C=CCCC[C@@H](NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)C(=O)OC 1638394494 AKSUNZMDNPNWRO-MRXNPFEDSA-N 431.945 4.677 30 10 IJEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 1642218851 FHKQAKSGUXXTCI-UXHICEINSA-N 436.625 4.845 30 10 IJEE C[C@@H](C#N)N(CC(=O)Nc1ccc(Br)cc1)Cc1cccc(C(F)(F)F)c1 1643522933 IDOVXLMKFIPRJW-ZDUSSCGKSA-N 440.263 4.821 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)s1 1643591153 XWOXWJAMASTFII-IUODEOHRSA-N 445.050 4.665 30 10 IJEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(=Cc2ccc(F)c(F)c2)CC1 1645382787 GZGMZNJIICTTCF-CQSZACIVSA-N 427.520 4.893 30 10 IJEE C=CCC1(O)CCN(C(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc23)CC1 1645771865 FIQKEVYVILGFRS-UHFFFAOYSA-N 429.358 4.726 30 10 IJEE C#CC1(O)CCN(C(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)CC1 1646157553 WHWXOLLDNKABIJ-UHFFFAOYSA-N 425.937 4.979 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1 1647763201 XWXXSASEEVTVCG-OAQYLSRUSA-N 449.555 4.917 30 10 IJEE C#CCN(Cc1ccc(Cl)cc1Br)C1CCN(C(=O)OC(C)(C)C)CC1 1648317649 FJWHZEPNHUNJBL-UHFFFAOYSA-N 441.797 4.937 30 10 IJEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H](C)c2cc(C)sc2C)cc1 1658012755 AEOHXMZKKAWWRY-MRXNPFEDSA-N 436.581 4.942 30 10 IJEE C=C(C)[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)c1ccc(F)c(F)c1 1658327042 KCXRCQAYOVUHJI-GOSISDBHSA-N 443.277 4.904 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CC1 1659122430 LKOUFJJSGHWHJC-HSZRJFAPSA-N 433.552 4.599 30 10 IJEE C=CCCc1ccc(S(=O)(=O)Oc2cc(F)c(Br)cc2C(C)=O)cc1 1662956497 NAVOWLKVPLIYCX-UHFFFAOYSA-N 427.291 4.677 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1cc(NC(C)=O)ccc1C)c1ccc(C(F)(F)F)cc1 1662981132 UCLHPNVRRXLSFO-IBGZPJMESA-N 440.487 4.958 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(C)C 1665700045 AEEOIBKCMFSSKW-GHTZIAJQSA-N 439.431 4.570 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 1667554714 UOJWAMVMBFSBQF-MRXNPFEDSA-N 429.879 4.760 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C 1668388992 DMDJPTKCMGXATP-QFBILLFUSA-N 430.549 4.503 30 10 IJEE C#CCN(C(=O)Nc1nc2c(s1)CCCCCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1669314981 SCHMMUVYVDWPHF-UHFFFAOYSA-N 446.617 4.669 30 10 IJEE C#C[C@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)c1ccc(Cl)cc1 1670024491 FWTDQKZHIZHBHU-KRWDZBQOSA-N 429.705 4.784 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C(=O)OC)sc1C 1672130787 WJDSUYHZHLOYLY-UHFFFAOYSA-N 441.322 4.965 30 10 IJEE Cc1c([C@@H](C)NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cnn1C 1673090156 ALHGCPBGXWCKLB-SECBINFHSA-N 426.336 4.901 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)c3ccc(NC(=O)c4ccncc4)cc3)cc21 1674679333 HNCLPSAZRKTHLK-QGZVFWFLSA-N 440.507 4.752 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C)C(C)C 1675166316 YIXJMICAIWIKLC-GOSISDBHSA-N 428.455 4.742 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 1680633956 VJTZDZZVLQBKSN-HNAYVOBHSA-N 441.494 4.879 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)[C@@H](OC)c3ccc(Br)cc3)cc21 1680802403 PIPTXPQTMMIEJU-JLTOFOAXSA-N 443.345 4.883 30 10 IJEE C=CCC[C@@H](NC(=O)NCc1ncn(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 1680854587 GHTWBVNCTBTZQA-LJQANCHMSA-N 429.446 4.793 30 10 IJEE C=CCCC[C@@H](NC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1 1680982058 ZKGGMJQHBPYDKL-HXUWFJFHSA-N 428.964 4.670 30 10 IJEE C=CCC1(CNC(=O)N2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)CCCC1 1681084860 JBRYXSZSFBMWEA-SFTDATJTSA-N 449.636 4.617 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC(C)(C)c1ccc(C)cn1 1682737858 NBPAVZHKKLUNEC-UHFFFAOYSA-N 434.353 4.967 30 10 IJEE C=CC[C@H]1N(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)CCCC1(C)C 1683577978 MTWBZXAVGZDFPR-GOSISDBHSA-N 436.394 4.862 30 10 IJEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 1686700640 HWWIIHFCTQRDEH-SKBVVQJISA-N 430.596 4.770 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cscc1C(F)(F)F 1689858626 NVNZHTLNFWWSIT-AWEZNQCLSA-N 443.498 4.937 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1689885580 NMWDTBRHRZXUER-KDURUIRLSA-N 438.526 4.662 30 10 IJEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1690278527 DMLCTFYHIKNPMU-UHFFFAOYSA-N 439.560 4.994 30 10 IJEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C)C2(CCC2)C1 1690303127 SIFMIMBNXMEVTI-INIZCTEOSA-N 448.409 4.645 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2CCC[C@H]21 1690419790 BJQQABQBJDFQFW-IEBWSBKVSA-N 440.588 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(CNC(C)=O)CC1 1690422262 JFJASTRMAJUGIH-UHFFFAOYSA-N 435.572 4.646 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1690466964 HOTMOLNWCQNJHG-HSZRJFAPSA-N 434.588 4.846 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690472741 UVVZVXHCCAHSAE-LEWJYISDSA-N 441.595 4.836 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCCCC1 1690500366 SRRVXLAAKKHHRD-UHFFFAOYSA-N 436.398 4.645 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(CC(C)C)CC1 1690523882 RSUOBCDHVKTHTM-UHFFFAOYSA-N 434.588 4.684 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1690532518 POVZOIDLKXHNAQ-NZQKXSOJSA-N 426.605 4.937 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1Cc1csc(C)c1 1690561209 HUJHLIXYSCJNMK-UHFFFAOYSA-N 440.576 4.746 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1CC[S@@](=O)C(C)(C)C 1690603605 FPWQLXZNWAENRA-SSEXGKCCSA-N 430.662 4.649 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2cccs2)C1 1690686702 RZURMVMZUXHQOK-VQIMIIECSA-N 444.988 4.963 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CC)CCCC2)C1 1690689508 FQAXPBOKHNJGPT-FQEVSTJZSA-N 425.533 4.605 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1Cc2ccoc2CC(C)(C)C1 1705525536 MIUVZPPQICFSQO-UHFFFAOYSA-N 442.361 4.631 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCCCC1 1705620203 OADNNSWUQUCDOG-UHFFFAOYSA-N 439.623 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1705708512 CXBYEHFFGPXQRG-DXIQSLLYSA-N 446.542 4.628 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705712364 QZPNSEWNPBVJNN-YADARESESA-N 428.577 4.712 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1705826444 WBIRDCAIUHYMJE-OAQYLSRUSA-N 442.947 4.671 30 10 IJEE C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1OCCC1(C)C)C1CC1 1705856028 COWNBQVJGPJKOE-HXUWFJFHSA-N 428.602 4.549 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@](C)(CC)O1 1705863180 KINSOYZUKDANQN-OZXSUGGESA-N 448.615 4.680 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(SC)CCN(C)CC1 1705876423 XOYCJXVPAGVEKJ-UHFFFAOYSA-N 446.064 4.528 30 10 IJEE CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1)N1CCCC1 1706255287 BQFNYMFPDRUJMV-ZJSXRUAMSA-N 441.023 4.849 30 10 IJEE C#CCN(C)c1nnc(CCc2ccccc2)n1Cc1c(C)sc(C)c1Br 1722356066 JBPZHDZPFBSTJY-UHFFFAOYSA-N 443.414 4.622 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS[C@H](C(C)C)C1 1722452123 RMUJQHJSISXZQS-PXNSSMCTSA-N 448.633 4.501 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1SC 1722504180 FDARDQZPRAZMLO-DENIHFKCSA-N 437.613 4.623 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC(C)C)C(C)C 1722510822 VNNIWOUKVYZPDW-JPYJTQIMSA-N 432.559 4.999 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2cc(C)ccc2C)n1Cc1sc(C)nc1C 1722515908 QVNCWDPBCABTNJ-UHFFFAOYSA-N 425.602 4.998 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722520851 PBLOONNJMNUGOM-UHFFFAOYSA-N 441.377 4.834 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCCS2)CC1 1722572043 JWIQVGWNINARME-MOPGFXCFSA-N 447.649 4.792 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722590434 DJIRMNHWPFRGQB-RTWAWAEBSA-N 446.542 4.978 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1722602217 SOTDNMDMIDECDY-QHCPKHFHSA-N 441.938 4.587 30 10 IJEE C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS[C@H](C(C)C)C1 1722604872 MTNOXDVVYZFYEG-RTWAWAEBSA-N 428.602 4.725 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@@H]1CC 1722617395 JJRDHGSOKUENOX-AQNXPRMDSA-N 431.625 4.984 30 10 IJEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1722627647 MIVRQYQHDKDWMB-YDPRHXJPSA-N 446.636 4.677 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722667977 KIBWGCIPVNCUPX-IBGZPJMESA-N 439.604 4.941 30 10 IJEE CC(C)SCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1 1723735569 AWUHVLJVQYAQFU-HSZRJFAPSA-N 436.585 4.872 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)CCOC 1740540675 LWKXLNWSCWOKFU-INIZCTEOSA-N 433.394 4.537 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H](C)Cc1cccs1 1740543452 PJYOYJPQTFNCHO-MSOLQXFVSA-N 438.597 4.751 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1scnc1C 1740558631 UKGFPAHFJCLPEY-SFHVURJKSA-N 437.613 4.754 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CCCC2)n1Cc1cccnc1OCC 1740679290 STCNKKWWSFYJQJ-UHFFFAOYSA-N 447.558 4.632 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1c(C)coc1C 1740728289 UICUNLQECMNXGN-AREMUKBSSA-N 448.567 4.991 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)CCC 1740734715 BTKNIXJMJRQBFY-FGZHOGPDSA-N 433.021 4.767 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCSC 1740735116 VFMBFJXJBKTPQQ-XMMPIXPASA-N 426.630 4.900 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cccc(Br)c1 1740761393 NKBGUOSPCPRDSO-AZUAARDMSA-N 445.405 4.926 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740780212 LJVBMEHYCVSRQQ-VQTJNVASSA-N 435.572 4.612 30 10 IJEE C=C(Cn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccccc1 1740803211 VAUBMPPROAZDIB-SANMLTNESA-N 431.584 4.619 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)COc2ccccc2OC)CC1 1740822318 OARYZDPNBYULAL-LJQANCHMSA-N 433.556 4.529 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nc(C(C)(C)C)cs2)CC1 1740827003 FORLHQQDOAEOPX-UHFFFAOYSA-N 428.631 4.593 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCOC2(CCOCC2)C1 1740844448 ZQZDKRORJLEUCM-JOCHJYFZSA-N 438.616 4.808 30 10 IJEE C=CC[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 1740853788 ADXHUEGJXUTWOS-XUZZJYLKSA-N 449.643 4.989 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H](c1ccco1)N(C)C 1740894143 KBVQKKLQPQIZQM-SFHVURJKSA-N 444.377 4.534 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc2ncccc2c1 1740894393 RVSQSUCTZGEQLW-UHFFFAOYSA-N 440.370 4.988 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1CC[C@@H]1CCCCO1 1740924769 CKBCEJOENPKNMP-KRWDZBQOSA-N 449.368 4.984 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc(C)cs1 1740970616 ALORIJFGYYNJOI-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(C)(C)CCOC 1748647713 SDZGUTDKJCAJEQ-LJQANCHMSA-N 433.600 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1748655103 QVSCDRVBXICVNV-NZQKXSOJSA-N 431.584 4.607 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCCN1CCC 1748834752 VPFJGPMTXUGEMO-LJQANCHMSA-N 444.410 4.589 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1748935359 QFIHYILTQODYED-URXFXBBRSA-N 438.616 4.775 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]2CCC[C@H]21 1749028814 HNOLXFQKKSADGO-VQIMIIECSA-N 445.430 4.843 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 1749220664 NBMYUKFPOLCHBO-UHFFFAOYSA-N 449.324 4.669 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1749268629 DLXHVBQRNJEVJC-AWEZNQCLSA-N 432.849 4.719 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(Br)cs1 1749367350 SNWYECQFYFNGKD-AWEZNQCLSA-N 439.423 4.845 30 10 IJEE C=CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749393304 QTWZCXMTKNNEPW-OAQYLSRUSA-N 425.577 4.579 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749501513 BNWQPSYAJYSWPO-FDDCHVKYSA-N 432.012 4.643 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(OC)CCC(C)CC2)C1 1749700338 JRODNHKOHASJIV-FUBUYXNDSA-N 438.616 4.884 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(F)cc2Br)n1CC1(C2CC2)CC1 1751090596 HAEFTNSPEAPOAE-CYBMUJFWSA-N 432.341 4.775 30 10 IJEE C#CCCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C(C)C)C1 1760131926 DZSUSFQWQGQKDF-XMMPIXPASA-N 448.567 4.782 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCN(C(C)C)C(C)C 1760167322 KNEOSYNEJKMXBZ-UHFFFAOYSA-N 446.437 4.594 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@H]1CCCCS1 1760224868 BJYZIOXZFJRYNX-GHTZIAJQSA-N 428.602 4.562 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)C[C@H]1CC 1760278522 XKZAJOBQDPCOEQ-HZPDHXFCSA-N 433.419 4.699 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](CC)C1 1760316443 RZHHDRXLEYXRLR-JYLXEMOASA-N 428.552 4.775 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccco1)N(C)C 1760480896 IGGYBMDIQQKZJS-GGAORHGYSA-N 435.572 4.608 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)CC[C@@H]1C)C(C)C 1760490555 ZRNFXFZKRADLEM-ACESQOTJSA-N 429.653 4.843 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC(F)(F)C1 1760499108 OLVPKFSTBNXLAM-JOCHJYFZSA-N 437.538 4.934 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(C)OCCc3sccc32)cc1 1762555284 GLLIQXMTJWLDKZ-BXKMTCNYSA-N 435.597 4.795 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 1772791077 YHWOBXGCJAUUAQ-UHFFFAOYSA-N 442.254 4.940 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccn23)c1 1858241835 HGQMQSNQMWYRBF-UHFFFAOYSA-N 433.830 4.503 30 10 IJEE CCCC[C@H](NC(=O)Oc1cccc2c(NC(=O)c3cccc(C#N)c3)cccc12)C(=O)O 1858944654 LDGSVJVIROCJKW-NRFANRHFSA-N 445.475 4.696 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(Cl)cc2)cc1 1862391481 BDCVDKVIILSLSP-OAQYLSRUSA-N 427.928 4.643 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccc2F)[C@@H]1c1cccc(O)c1)c1cccc(Cl)c1 1862441813 CZTOIFDICIZRTJ-OAQYLSRUSA-N 437.854 4.963 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2Cc2ccccn2)c1 1862447055 HEHDJFBLCVLEFA-QFIPXVFZSA-N 448.906 4.912 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1862482344 OUZIMAGMDXAYBY-FQEVSTJZSA-N 447.453 4.755 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@@H]3CCCC[C@@H]3C)[C@H]2c2ccc(O)c(O)c2)ccc1F 1862503552 ZRXKPSZWXJQDMP-CYYCYGDNSA-N 439.483 4.702 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2[C@@H](C)CC)cc1OC 1862510153 XVMBTUBMIGBEHO-NYHFZMIOSA-N 441.499 4.918 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC(C)C)cc1 1862606449 RSPITHNSBLLWCN-QHCPKHFHSA-N 435.520 4.645 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2F)cc1F 1862638882 MNNCSSVUQPEDSF-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1cccc(F)c1)c1cccc2ccccc12 1862650637 ZQBKTPKJMYGNGA-QHCPKHFHSA-N 441.462 4.523 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862660169 GBMVCVDNFJIECB-QFIPXVFZSA-N 440.971 4.993 30 10 IJEE CCOc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(c3ccc(F)cc3F)C2=O)cc1 1862836447 ORBDDBWPCWABKG-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2Cl)C1=O 1863073974 LNNVLMCLHBOOMM-UHFFFAOYSA-N 443.890 4.925 30 10 IJEE CC(=O)c1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(c3ccc(C#N)cc3)C2=O)c1 1863129566 NUKHSJSIAYMKLC-UHFFFAOYSA-N 446.466 4.639 30 10 IJEE CCCCCCOc1ccc(-n2nnc(C#N)c2NC(=O)CCc2cccc(OC)c2)cc1 1870146855 LLPXMTRWQPSFKT-UHFFFAOYSA-N 447.539 4.678 30 10 IJEE COc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(C(C)C)cc2)c(C(C)(C)C)c1 1870151509 YEUGZVRVJOWHSG-UHFFFAOYSA-N 447.539 4.586 30 10 IJEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CSCc1ccccc1 1870284443 XLPYGWLZPFFSAY-UHFFFAOYSA-N 448.588 4.505 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1Cc1ccccc1F 1870350698 RKTNOFZJDNKJBU-UHFFFAOYSA-N 443.522 4.660 30 10 IJEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CNc1ccc(OC)cc1C 1870806569 PWGFSJABRQDKMD-UHFFFAOYSA-N 438.499 4.690 30 10 IJEE C=CCOc1cn(Cc2ccccc2F)c(CNc2cccc(Br)c2)cc1=O 1870813615 TZTYHHXXCCOOOU-UHFFFAOYSA-N 443.316 4.975 30 10 IJEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CNc2cc(C)cc(C)c2)cc1=O 1870814151 YXESOEXWUCALJY-UHFFFAOYSA-N 434.536 4.730 30 10 IJEE CCCCCCCOc1cn(CCO)c(CNc2ccc(C(F)(F)F)cc2)cc1=O 1870838600 KUNSXFZKUBYVNN-UHFFFAOYSA-N 426.479 4.821 30 10 IJEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1871010335 IVGKZWKFUIILBQ-UHFFFAOYSA-N 430.548 4.827 30 10 IJEE C=CCn1cc(OCc2c(F)cccc2Cl)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871089658 WKCSBXAVFPRWDV-UHFFFAOYSA-N 438.890 4.894 30 10 IJEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CNc3ccc(F)cc3)cc2=O)cc1 1871253619 DOESYJFFTIDSJU-UHFFFAOYSA-N 429.451 4.691 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1871973239 ZBQGBWCVUNBLLD-OAQYLSRUSA-N 432.561 4.735 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872092780 MMWDJUDSJJEPQY-IBGZPJMESA-N 439.581 4.687 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872253289 CJCWWKUQJSSSQF-LJQANCHMSA-N 441.380 4.896 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(OC)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872329579 CEQQEVJWUSSHNI-AUSIDOKSSA-N 444.597 4.624 30 10 IJEE CCc1ccc(/C=N/Nc2cnn(-c3ccc(Cl)cc3)c(=O)c2Br)cc1 1873527097 LNJUYXOORLYAEK-SSDVNMTOSA-N 431.721 4.657 30 10 IJEE O=[N+]([O-])c1ccccc1/C=N/n1c(SCc2cccc(Cl)c2)nnc1[C@@H]1CCCO1 1874450596 GMONEETXAGUXDD-YPKZHZFPSA-N 443.916 4.866 30 10 IJEE CCOc1c(Br)cc(/C=N/n2c(SCC)nnc2C(C)C)cc1OC 1874512501 AYWSOSLUHGCFHG-VXLYETTFSA-N 427.368 4.566 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2COc2ccc(Cl)cc2)ccc1OC(C)C 1874565586 IUTYQQJWVBLQEV-FSJBWODESA-N 446.960 4.867 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 1874610460 TXSNIIWRMYNXDE-WUXMJOGZSA-N 446.459 4.825 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1cccc(C)c1 1874706627 RCMDYAMGJKPRTK-RMKNXTFCSA-N 430.456 4.890 30 10 IJEE CCCCCCCCC(=O)NCc1nn2c(COc3ccc(Cl)cc3)nnc2s1 1874769998 BHKAXEKCBBPHPJ-UHFFFAOYSA-N 435.981 4.785 30 10 IJEE Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 1875088567 UYTGDKULHRZTQE-YRNVUSSQSA-N 432.388 4.927 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(OC)c1OC(=O)c1ccncc1 1875115284 WCSAGSOEBPRAQM-IZZDOVSWSA-N 429.472 4.943 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)ccc1OC(=O)[C@H]1CCCO1 1875115884 ZTVUAYVDXDDFGS-CSNYQSHPSA-N 445.309 4.828 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1OC(=O)C1CCC1 1875125154 USYYGUSTPUVJLF-RMKNXTFCSA-N 431.391 4.873 30 10 IJEE Cc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c(C)c1 1875150359 JVIGQNZTZSOFMG-UXBLZVDNSA-N 430.456 4.913 30 10 IJEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(N3CCCCCC3)cc2)c1 1891149478 IOOISYXZFKBUBG-UHFFFAOYSA-N 433.596 4.725 30 10 IJEE CO[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 1904836009 CPCBZGQRLFHIPP-IAGOWNOFSA-N 439.940 4.513 30 10 IJEE CC1(C)C[C@H]([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 1938245724 ZXBVCCUDTJGXQY-ZIAGYGMSSA-N 435.487 4.714 30 10 IJEE C#Cc1cccc(C(C)(C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1952504253 QTWRSBOEECVMBU-RUZDIDTESA-N 439.511 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@](C=O)(Cc2ccc(Br)cc2Br)C1 1980246243 MNDWFWGOVHNLBR-QGZVFWFLSA-N 447.167 4.580 30 10 IJEE CC(C)(C)OC(=O)N(CCCC(=O)Nc1nc(Cl)ccc1C#N)Cc1ccccc1 1989745367 HDVYARWWYQQWGN-UHFFFAOYSA-N 428.920 4.763 30 10 IJEE COc1cc(C(=O)C(=Cc2csc(C)n2)c2nc3ccccc3[nH]2)cc(OC)c1OC 2042447330 BXBRWXGMHVNAHE-UHFFFAOYSA-N 435.505 4.777 30 10 IJEE C=CCC1(C(=O)Nc2cc(Cl)cc(Br)c2)CN(C(=O)OC(C)(C)C)C1 2060609680 YTODUOFLUIEMLT-UHFFFAOYSA-N 429.742 4.854 30 10 IJEE CCc1nn([C@@H](CC)c2cc(C)c(C)cc2C)c(I)c1/C=N/O 2079124883 JRCJNMYWYFZOCP-MZYRPWKCSA-N 425.314 4.783 30 10 IJEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)[C@H](NC(=O)OC(C)(C)C)COC1(C)C 2081878261 ZYDRXTXDTYROGH-HOYKHHGWSA-N 445.560 4.701 30 10 IJEE CC1(C)OB(C2[C@H]3CN(Cc4ccc(Cl)c(Br)c4F)C[C@H]23)OC1(C)C 2110460753 IABRUYPAPYVSII-RYUDHWBXSA-N 430.554 4.766 30 10 IJEE CC1(C)OB(c2ccc(CNCc3cccc(Cl)c3Br)cc2)OC1(C)C 2151194648 WHEWTTUFIZKEHU-UHFFFAOYSA-N 436.586 4.692 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)NCc1ccc(C#N)cc1 2181049748 YXRNLRPYWVMTQS-UHFFFAOYSA-N 430.302 4.598 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](COc3cc(Br)cnc3C#N)(C2)C1 2199678270 PEIAZQDMAXIVHX-VBKZILBWSA-N 436.350 4.522 30 10 IJEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#Cc1ccc(Cl)cc1 2212452891 MTKLTGKQWMJEOV-MTNREXPMSA-N 428.960 4.517 30 10 IJEE Cc1cc(Br)c(C(=O)N2CC[C@@H]3C[C@@]3(B3OC(C)(C)C(C)(C)O3)C2)s1 2229371480 ZQBCPTCMOVEWKA-KZULUSFZSA-N 426.185 4.517 30 10 IJEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(C#N)N(CC1CC1)C(=O)OC(C)(C)C 2249321894 RAFHOGKGQRURPN-SZKUSEGLSA-N 433.593 4.999 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254792321 VQQBXFXQFRIOTD-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 2267192430 QQCJNIVXNJAXGH-LJQANCHMSA-N 436.405 4.809 30 10 IJEE Cc1c(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)ccc(Br)c1Cl 2280783995 MMBXWXXGTZUAMQ-UHFFFAOYSA-N 441.537 4.988 30 10 IJEE COc1cccc(NC(=O)OC(C)(C)C)c1[C@H](N)C#Cc1ccccc1Br 2283404697 IVEAWLRXZJMHDL-MRXNPFEDSA-N 431.330 4.856 30 10 IJEE C=CC[C@@]1(COc2cc(Br)nc(C3CC3)n2)CCN(C(=O)OC(C)(C)C)C1 2287850154 QPRIJBPEOTVKRD-HXUWFJFHSA-N 438.366 4.699 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296221736 LGDIUTUOPHJQIE-SFHVURJKSA-N 432.358 4.797 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2ccc(Br)cc2)CC(C(C)(C)C)C1 2296276635 KEHDQMJPHPBCRK-OJCRERRGSA-N 436.390 4.881 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2296293719 MQPUOHNWHSEYLY-ZCNNSNEGSA-N 435.406 4.862 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C1CC2(CCCN2C(=O)OC(C)(C)C)C1 2296294356 SWUBFUWVQLBQMW-OZWAEMERSA-N 433.390 4.568 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 2296311084 RTDDHQPEIFQWTG-DBVUQKKJSA-N 435.406 4.957 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 2296602913 JGVPESMTQHNGMM-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 2297746990 UGHJXHWETGGXQG-QFIPXVFZSA-N 445.446 4.629 30 10 IJEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(C(=O)C=Cc3ccccc3)c2)c1 2313534835 JSEPNMLMOUYZMX-UHFFFAOYSA-N 441.487 4.752 30 10 IJEE CCCN[C@@](C#N)(CN(CCN(C)Cc1ccccc1)Cc1ccccc1)[C@@H]1CC1(C)C 2318403079 UVTDEEORNPEJFL-IAPPQJPRSA-N 432.656 4.929 30 10 IJEE C=CCC1(C(=O)NCc2sc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2320781539 KEZCXHJNDKJYGA-UHFFFAOYSA-N 449.798 4.593 30 10 IJEE COc1ccccc1C(=O)Oc1cc(C)c2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2322698755 KEOXFTTWHZPNLN-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC)c(OCCCO)c2Br)cc1 2323134732 SXBFVXOBXJMSMV-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE COc1ccc(-c2cc(O)nc(NN=Cc3ccccc3OCc3ccccc3)n2)cc1 2323260680 MUPNYGUJGZCBCA-UHFFFAOYSA-N 426.476 4.883 30 10 IJEE Cc1c(OCC(=O)OCC(C)C)ccc2c1OC(=Cc1ccc(Br)cc1)C2=O 2325068574 IOIISYOQMOQNNE-UHFFFAOYSA-N 445.309 4.952 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1Cl)C2=O 2325072539 SFKQHPNDTUEJFD-HNNXBMFYSA-N 430.884 4.612 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1cc(Cl)c(O)c(OC)c1 2325548695 QFADKXXMNMEKJP-UHFFFAOYSA-N 434.924 4.912 30 10 IJEE O=C(C=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(I)cc1 2325571872 KKDPSRJGQPVUKS-UHFFFAOYSA-N 445.178 4.531 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2ccc(C(C)=O)cc2)ccc1OCc1ccccc1 2325649612 VLKYZPWVAURRRT-UHFFFAOYSA-N 429.472 4.698 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccco2)C3=O)cc1Cl 2325710877 GHIWDBDMBQLODC-UHFFFAOYSA-N 439.851 4.884 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2cccc(C=CC(=O)c3ccccc3OC)c2)c1 2325723978 MSVVTGPIZQQXRE-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE COc1ccc(OCc2nnc(SCc3cccc(C)c3)n2N=Cc2cccn2C)cc1 2328355748 DQRUNJAMPVKADK-UHFFFAOYSA-N 447.564 4.687 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1c[nH]c2ccccc12 2328484340 BMUNVABHUKBUNX-UHFFFAOYSA-N 432.509 4.809 30 10 IJEE Cc1ccc(C=Nn2c(SCC(=O)NCc3ccccc3)nnc2C2CCCC2)cc1 2331100545 XCYDZNZTOMUVBF-UHFFFAOYSA-N 433.581 4.535 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C(O)C(=O)N2Cc2ccco2)cc1 33422084 UFRDTNIYMRTUPO-QHCPKHFHSA-N 447.487 4.856 30 10 IJEE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814820 VLNUVMZTJDCPEA-XIEYBQDHSA-N 438.509 4.683 30 10 IJEE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 41659328 MNMNSZACFIGFGB-QRVIBDJDSA-N 446.434 4.745 30 10 IJEE C=CCN1C(=O)/C(=C\c2cc(Br)c(OCC)c(OCC)c2)SC1=S 59167728 CQCXYAXRJIYTRI-GXDHUFHOSA-N 428.373 4.634 30 10 IJEE C/C(CC(C)C)=N\Nc1nc(SCCC(=O)Nc2ccc(Br)cc2)n[nH]1 59892184 IXFLEODTYJLGTO-CIAFOILYSA-N 439.383 4.522 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2ccc(CSC)cc2)c(C(=O)OCC)c1C 96513118 FIOMSUUOIUQTJM-UHFFFAOYSA-N 433.551 4.691 30 10 IJEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 97254094 DKIQMZFSQUFIHI-UHFFFAOYSA-N 444.882 4.849 30 10 IJEE C=CCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1ccncc1Cl 101127561 TWQYVLQCQVBTHN-IAAOIOMASA-N 426.885 4.989 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2cccc(F)c2)cc1 169921797 IRKCKIGBTUCHLN-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C(=O)N1c1cccc(C)c1 169941734 OXKFVXHNZKRMPA-QFIPXVFZSA-N 444.443 4.695 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(O)cc1 169964262 BMWVCTPYZLRPTR-QHCPKHFHSA-N 435.426 4.772 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Cl)c3)[C@@H]2c2cccnc2)s1 170009184 IPSJCDQNYLXZQA-GOSISDBHSA-N 439.924 4.900 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccc(C)o2)c1 170102542 JDGZMNNWJPPVOH-QFIPXVFZSA-N 435.451 4.823 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(C)o2)c1 170102584 YEDZNBOEGZGETE-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(F)cc2)c1 170140672 HDRRJANZXUEVTO-JOCHJYFZSA-N 431.419 4.646 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2cccs2)c1 170154899 OJGHVKAXJCXKIM-OAQYLSRUSA-N 443.565 4.786 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4C)[C@H]3c3cccnc3)oc12 170191309 RXNHHSHOKZEMME-QFIPXVFZSA-N 440.455 4.928 30 10 IJEE COc1c(Cl)cc(C)cc1C(=O)C1=C(O)C(=O)N(CCOC(C)C)[C@H]1c1ccccc1 170222586 ARMHSDXRHYQJAF-FQEVSTJZSA-N 443.927 4.660 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccco2)cc1C 170296516 XIHUZAREIJSYQN-HSZRJFAPSA-N 447.487 4.774 30 10 IJEE CCOC(=O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 170372058 PYOMWZFFTWHPAP-XMMPIXPASA-N 441.483 4.575 30 10 IJEE COc1cccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(OC(F)(F)F)cc2)c1 170429598 GOTJDGBUYWJJCS-GOSISDBHSA-N 435.398 4.719 30 10 IJEE Cc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2Cc2ccc(C(=O)OC(C)C)cc2)c1 170459115 SVFIWXVOKSHFIN-QFIPXVFZSA-N 435.520 4.681 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 170468079 HLTDSXJOKVAOFH-OAQYLSRUSA-N 435.520 4.896 30 10 IJEE CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC(C)C)cc1 170473520 DVURXAVOIJXODA-HSZRJFAPSA-N 437.492 4.718 30 10 IJEE COc1cc(/C=C\C(=O)c2ccc(F)cc2Br)cc(Br)c1O 221886223 UREKAHILFWCXOD-DJWKRKHSSA-N 430.067 4.961 30 10 IJEE N#Cc1cc(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)ccc1OC(F)(F)F 442188928 NTFVSUINTWFPBJ-UHFFFAOYSA-N 441.356 4.810 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 443878858 BOYOWDZPWQJNIS-UHFFFAOYSA-N 441.438 4.997 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 475569118 PAECEZYASAZXAY-UHFFFAOYSA-N 439.507 4.763 30 10 IJEE C=CCN(C(=O)COc1ccc(Cl)c2ccccc12)c1nc(C(=O)OCC)cs1 501941467 IYJCAMDLUAAJDH-UHFFFAOYSA-N 430.913 4.724 30 10 IJEE CN(Cc1ccccc1)C1=C(Sc2ccccc2)C(=O)N(c2cccc(C#N)c2)C1=O 526680485 LZOXSVVVDGKMEN-UHFFFAOYSA-N 425.513 4.567 30 10 IJEE COc1ccc(/C=N\n2c(C)nnc2SCc2cccc(F)c2)cc1Br 526824755 RWTSNYGSLRMSRE-FBHDLOMBSA-N 435.322 4.671 30 10 IJEE C=CCCCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC1 559239685 FLPCGVVCDSYWGO-HNNXBMFYSA-N 425.360 4.603 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 584200538 COFOMUAQFIYYKZ-UHFFFAOYSA-N 443.473 4.842 30 10 IJEE C=C(C)CN(c1ccc(OCC)c(OCC)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 586217571 HHUAPDCRNHHLAS-UHFFFAOYSA-N 433.570 4.881 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@H]2C1 698986887 LWLOQMVPGIGZJN-HOIFWPIMSA-N 448.568 4.853 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2oc3ccccc3c2C)C1=O 734300864 XPSIKIICTGRKKU-NRFANRHFSA-N 435.549 4.626 30 10 IJEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 745234789 XFTSQVQHJFLANE-LRQRDZAKSA-N 426.463 4.564 30 10 IJEE C=C(C)[C@@H](CO)SC1=N/C(=C\c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 753856946 BJBHZYYVRQZTFC-CFINBHSISA-N 434.970 4.824 30 10 IJEE Cn1cc(/C=C2\CCc3ncc(C(F)(F)F)cc3C2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 777467718 MUCQMOJSMJBTCM-MDWZMJQESA-N 428.370 4.622 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccsc3)N([C@@H]3CC[C@@H]3C)C2=O)cc1 795181624 CYNDSJCRJHJKCR-BKTGTZMESA-N 441.578 4.710 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 800787666 KVXDLPBFTCFQRE-MRXNPFEDSA-N 431.968 4.526 30 10 IJEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C)ccc1SCC(F)(F)F)c1ccc(Cl)cc1 810473317 AMQZLLDBJWWGJE-OAHLLOKOSA-N 440.874 4.732 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(c2c(OC)cc(OC)cc2OC)CC1)c1ccc(Cl)cc1 811958556 CZAVMCYOHWACQI-HXUWFJFHSA-N 442.943 4.629 30 10 IJEE C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1125612665 PHKBSWWIYHBMIX-LJQANCHMSA-N 430.545 4.784 30 10 IJEE C[C@H](NC(=O)[C@H](c1ccccc1F)N1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 1127890342 APJKGNQPOGJNRL-SIBVEZHUSA-N 443.522 4.615 30 10 IJEE C=CCN(C(=O)[C@@H](C)Cc1cncc2ccccc12)[C@H](Cc1ccccc1)C(=O)OCC 1128002999 FNJWMUMCZDHSNB-NBGIEHNGSA-N 430.548 4.602 30 10 IJEE C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1128072597 TWEBRZYEAFJCQQ-MZYLBHOOSA-N 444.616 4.732 30 10 IJEE C=CCOc1cccnc1C(=O)Oc1cc(C(C)(C)C)ccc1I 1132913806 KNZBDBOEKGDMOB-UHFFFAOYSA-N 437.277 4.768 30 10 IJEE C=CC[C@@H](C)NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 1146832215 DHGRYTIVDJBNTK-CYBMUJFWSA-N 432.446 4.515 30 10 IJEE C#CC[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccccc1 1151315168 YROAOGPHWDXNBT-FGZHOGPDSA-N 436.552 4.922 30 10 IJEE CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 1157618510 BXCLUDYWHJPDER-VWLOTQADSA-N 448.611 4.635 30 10 IJEE C=CCN(CCc1ccco1)S(=O)(=O)c1cc(C)c(OCc2ccccc2)c(C)c1 1188657405 YTUJBTFKSXCAMI-UHFFFAOYSA-N 425.550 4.895 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 1191746607 ABNRKXWRMZTJKM-OAQYLSRUSA-N 426.335 4.769 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2)nc1 1199244363 ATYSZAGWLKOZJL-NRFANRHFSA-N 436.418 4.629 30 10 IJEE CCCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1200275212 DAGKMMDZWSKQIC-HXUWFJFHSA-N 436.512 4.873 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCN(CC)c1cccc(C)c1 1206193937 BDFBSPCVVCIIBK-UHFFFAOYSA-N 432.362 4.970 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1)c1ccccc1 1224521685 IHCGNWKNLLMMEG-YADHBBJMSA-N 425.960 4.951 30 10 IJEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 1227841075 GQIPUCJABIPXDW-XLIONFOSSA-N 429.351 4.821 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1264833867 FGLQRAHNDAGQMZ-MHZLTWQESA-N 445.563 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1CC(OCC)C1 1286283002 UBGMAJZQVJFSJZ-MUYFXNHWSA-N 445.405 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCc1nc(C(C)(C)C)cs1 1286285684 OZUQGVUHIRBVHH-INIZCTEOSA-N 432.597 4.881 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](c2ccco2)C1 1286338604 DOEMCMMDRVJBBA-AWEZNQCLSA-N 431.359 4.769 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCO[C@H]1C(=C)C 1286451232 VUMZHLBESNILNI-IERDGZPVSA-N 449.382 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](CCC)C1 1286551604 MPUQKXMFWPGRHG-CDXJDZJCSA-N 448.970 4.724 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(Cl)s1 1286570475 ZSMVVWLQGOATGM-NRFANRHFSA-N 439.025 4.679 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCN1CC 1286571329 OMOFSFYDZORBIX-GOSISDBHSA-N 446.437 4.984 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3CC)n2C[C@@](C)(O)c2cccs2)CC1 1286649075 ISLWFMMCGHZBCX-XMMPIXPASA-N 438.597 4.545 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1nnc(C)s1 1286719055 IBHKUDBVYDHCOH-UHFFFAOYSA-N 426.546 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1286754000 OKHKEXKOAVJNGZ-DENIHFKCSA-N 434.613 4.663 30 10 IJEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(C)(C)C1CC1 1288943848 BHESKOCRVCKJTP-OXJNMPFZSA-N 443.979 4.627 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCCS2)C1 1288974899 ICTKJPSLRAJFRD-PGRDOPGGSA-N 447.555 4.962 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1300330438 YYHWSGOGXBFOIE-SJWLEXSCSA-N 436.600 4.587 30 10 IJEE C#CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1300393754 KJOSUBZRZUGHJL-HOTGVXAUSA-N 433.419 4.760 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccn(CC)n1 1300491232 FASJMBWZCYJJQI-HSZRJFAPSA-N 444.535 4.715 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC12CCC(CC1)C2 1300549103 XLITVDLUHKVERW-UHFFFAOYSA-N 443.378 4.817 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1cccnc1OCCC 1300790102 ICHVOJMXLZQSKT-AREMUKBSSA-N 429.568 4.732 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCO[C@@H](C)C1 1300901219 NKSIICKKRQBHDV-IRXDYDNUSA-N 433.394 4.925 30 10 IJEE C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300964373 ZWBZPKWESGNNQK-LJQANCHMSA-N 438.494 4.633 30 10 IJEE C=C(Cl)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCSC[C@@H]1C 1301050497 QONZBFJEUFWNJH-INIZCTEOSA-N 441.428 4.946 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnccn1 1301139689 SRENEMUDJVHEMR-UHFFFAOYSA-N 441.377 4.736 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](COCC)C1)c1ccccc1 1301165888 MCEUVAXTGCEHTE-GGAORHGYSA-N 431.584 4.871 30 10 IJEE C=CCCCCn1c(N2C[C@@H](F)[C@@H](c3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301196971 CAKIOKLTEBFYCH-TZBSWOFLSA-N 442.579 4.617 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(C)C1)C(C)C 1301368114 XPWFZNUTAZJNDX-JOCHJYFZSA-N 449.599 4.529 30 10 IJEE C[C@H](NC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1303794650 AJDLKJVHINEJOD-RXFWQSSRSA-N 445.615 4.543 30 10 IJEE C=CCCc1ccccc1NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1310625549 YJAVFMDJNQDUBY-IBGZPJMESA-N 441.597 4.548 30 10 IJEE C#CCN(C(=O)N[C@@H](CC)Cc1ccccc1)[C@H]1CCOc2ccc(Br)cc21 1311844556 GKNIRDQUKQVWHC-FPOVZHCZSA-N 441.369 4.939 30 10 IJEE N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 1312308645 GMYIYGIDVFOIHP-SJLPKXTDSA-N 448.514 4.806 30 10 IJEE C#CCN(C(=O)NCc1cc(Br)cc(OC)c1)[C@H]1CCCc2ccccc21 1313266783 HONUMQSGMABYCO-NRFANRHFSA-N 427.342 4.680 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C(F)(F)F)C1 1323754877 GADOLLQWPURSEP-CQSZACIVSA-N 429.439 4.861 30 10 IJEE CC(C)C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)N1Cc2ccccc2C1=O 1350141702 BGYARGGUQYSOAE-HSZRJFAPSA-N 440.503 4.755 30 10 IJEE C=CCN(C(=O)c1cnc(N(C)C)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1350509939 BOTNLEDKNUDSSW-UHFFFAOYSA-N 443.916 4.666 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(Sc3ccc(C)cc3)CCCC2)cc1 1354105245 VQLDUMQQDZCPQI-UHFFFAOYSA-N 444.622 4.845 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)c2ccc(F)cc2F)c(C(=O)OCC)c1C 1357818885 XUGYAKQAPGDVFS-NSHDSACASA-N 437.464 4.596 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1ccc2cc(OC)ccc21 1358207869 IFKVYADRIWVGNG-UHFFFAOYSA-N 431.305 4.766 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1Cc1sccc1C 1358974063 PWWBMAFYRUGYPV-UHFFFAOYSA-N 432.593 4.861 30 10 IJEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1Cc1cscc1C(F)(F)F 1358996869 VVPPTPVNWLPFOY-UHFFFAOYSA-N 442.510 4.655 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCCC1CCCC1 1359017605 LLLXHXZSLLVDDG-UHFFFAOYSA-N 448.590 4.889 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCc1cccc(C)n1 1359073851 HAPJLMXQIPREAL-HHHXNRCGSA-N 443.595 4.802 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCOC(C)C)CC1 1359162255 KIGYRWQXTZLYOE-UHFFFAOYSA-N 437.357 4.818 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359200659 MVZGLSKSCNKAIE-INIZCTEOSA-N 425.474 4.513 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCOc1ccc(F)cc1 1359284896 UELGQDXDVYJYJU-UHFFFAOYSA-N 437.338 4.609 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCCC2(F)F)C1 1359325916 OXJAFURISVBSHU-PZJWPPBQSA-N 446.542 4.772 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 1436683750 AHKDVTAEXUJRDT-RDPSFJRHSA-N 448.588 4.643 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(F)c1SC 1437587947 GUYVDQNBIKSSNR-UHFFFAOYSA-N 439.306 4.598 30 10 IJEE C#CCC1(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 1456184037 JZFPVUFKEDKWSD-IBGZPJMESA-N 430.548 4.756 30 10 IJEE C=C(C)[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1ccc(F)c(F)c1 1459179793 BBHZJIDZXMEKEV-IBGZPJMESA-N 432.268 4.960 30 10 IJEE C=CC[S@](=O)(=NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1ccccc1 1463269035 DFIPYOSXSUGZPK-GDLZYMKVSA-N 426.563 4.813 30 10 IJEE Cc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1S(=O)(=O)Nc1cccc(Cl)c1 1463562248 DHCSDKRBSZOJEP-UHFFFAOYSA-N 443.887 4.712 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)cc1 1465628552 NPPMSIPKRZLJCK-NRFANRHFSA-N 433.474 4.922 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)[C@H]1CCCO1 1465771464 JYULWRWQDWPNLJ-UYAOXDASSA-N 429.398 4.672 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1466272874 BWPMPRWTOOMAAZ-LJQANCHMSA-N 436.512 4.872 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 1467572386 MNEOOCJQYDKUQP-JYFHCDHNSA-N 429.564 4.926 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCCCCC1 1467931659 FLGDIJGWCPGLFK-QFIPXVFZSA-N 448.604 4.788 30 10 IJEE C=CC[C@H]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)C1 1469919534 ATLDTYKOKALKBL-MAUKXSAKSA-N 437.378 4.830 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N[C@@H](c3c[nH]c4cccc(F)c34)C(F)(F)F)C2=O)cc1 1473579334 BTGVXTSNVBRINU-ICSRJNTNSA-N 430.405 4.567 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc(C(=O)N(C)C)c2)cc1OCC 1474051251 SQOWADTZERFODD-UHFFFAOYSA-N 433.346 4.727 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCN(c4ccccc4F)C3=O)cc2)cc1 1476058649 FRWRRFNDEDAUED-QFIPXVFZSA-N 444.466 4.807 30 10 IJEE COC(=O)[C@]1(C)CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 1476099006 DOTPFZYUMDGMPL-HSZRJFAPSA-N 441.915 4.598 30 10 IJEE CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1476496453 DOIHCGGBPVDHIF-SFHVURJKSA-N 439.409 4.819 30 10 IJEE CCC1(CC)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCCCO2)CCS1 1497716270 CNTWCZBSMPBQAN-OAQYLSRUSA-N 439.629 4.888 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCC1(COC)CCC1 1507525334 ZSVDEYXWXNQBGX-OAHLLOKOSA-N 449.368 4.511 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccccc1C(C)C 1507548442 UNYFRYASOMPMDG-XKCSPQBFSA-N 438.616 4.857 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1507838691 VZGSMFNPRXPCNN-GGAORHGYSA-N 438.616 4.841 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCc2nc(C)no2)CC1 1507898105 UXCITVRIDNXMCK-UHFFFAOYSA-N 434.588 4.969 30 10 IJEE C=CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 1507990508 KMNSJZGEPNFGRR-PMACEKPBSA-N 437.632 4.550 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1507997544 ZWSDIMJDMMTXAV-RDPSFJRHSA-N 438.616 4.874 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1CC1CCN(C(C)=O)CC1 1508009222 WLUUZSTVJBUFLS-UHFFFAOYSA-N 439.579 4.526 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1cscc1C(F)(F)F 1508039474 XNDPWYWUBGCPFQ-UHFFFAOYSA-N 426.464 4.614 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)C[C@@H]1CC 1508152642 PFCKKACVMNTPDG-HOCLYGCPSA-N 438.439 4.590 30 10 IJEE CCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)CC1 1515219508 AYFPFDPIKWGWAY-NRFANRHFSA-N 425.577 4.560 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc1 1516875011 BPDYTVHSOXHZAS-UHFFFAOYSA-N 438.936 4.986 30 10 IJEE C=CCN(C(=O)c1sc(-c2ccccc2)nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1522959373 NESBBULRJUKHGI-OAQYLSRUSA-N 434.561 4.921 30 10 IJEE C=CCOc1ccc(CC(=O)O[C@H](C)c2ccc(F)c(I)c2)cc1 1525730003 KQDQSBGCHIYVSN-CYBMUJFWSA-N 440.252 4.842 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)CCCN1C(=O)OC(C)(C)C 1528830576 MKBQXOVUJSSTIV-SSOJOUAXSA-N 443.563 4.710 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 1529074643 NIBZXCKCOOPKGL-NRFANRHFSA-N 431.363 4.855 30 10 IJEE C#CCOc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccc(OC)c2)c1 1529313888 VQZGRDTWLSSWTA-UHFFFAOYSA-N 437.499 4.871 30 10 IJEE CCCc1c(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)nnn1-c1cccc(Cl)c1 1530344047 ASHMTVLPWCGLSB-UHFFFAOYSA-N 449.820 4.896 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1OC 1530658330 AXJQWSPWVRGZJI-NJBZPOFQSA-N 426.944 4.712 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCc2cncs2)c1 1537172314 UYQGLKRGGYSZMP-UHFFFAOYSA-N 448.953 4.535 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCCc1ccccc1 1539595489 CFLUVNKRRSBHKB-IBGZPJMESA-N 433.394 4.887 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC=CCO1 1539656300 VBGPOEGBQGPHET-GOSISDBHSA-N 431.378 4.764 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 1539842304 QIWRLRDNKLCQDD-LJQANCHMSA-N 425.577 4.747 30 10 IJEE C=CC[C@]1(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C 1539919505 XCZHRMONVLAXTP-BKMJKUGQSA-N 442.600 4.583 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1539960443 AOVYESWNJUWITK-PMACEKPBSA-N 448.615 4.904 30 10 IJEE C=CCCOCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](C)C1 1540019899 FQMUKEVDFOQAQL-ICSRJNTNSA-N 430.618 4.569 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)CCCN1C(=O)OC(C)(C)C 1540252765 VDNYEKHHJYYWQP-CLOONOSVSA-N 444.620 4.690 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCCS2)c1 1542165515 DLBCHBMTAGRSOT-QFIPXVFZSA-N 439.629 4.890 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 1544401888 GJJVOLMEEZEPJA-UHFFFAOYSA-N 431.536 4.613 30 10 IJEE CCC(CC)(Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC#N)SC 1545772489 BQXNPXBROALAEU-QGZVFWFLSA-N 437.617 4.995 30 10 IJEE C=C[C@H](Sc1nnc(COc2ccccc2F)n1[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)OC 1559307314 BSLAHRIVKGQRRW-DYWWHBPLSA-N 445.560 4.813 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCCN(C(=O)Oc3ccccc3)CC2)cc1OC 1560631345 AMARSZYFFAOOSF-UHFFFAOYSA-N 430.932 4.620 30 10 IJEE COc1cccc(-c2cc(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)n[nH]2)c1 1570552486 HUXMTYZWLFOKCK-CQSZACIVSA-N 428.414 4.659 30 10 IJEE N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1583630279 AGSXXOOMBLGFFZ-ZDUSSCGKSA-N 439.140 4.636 30 10 IJEE COc1ccc(CCC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)c(OC)c1OC 1583689226 FXIDIJZWWSMZGV-UONOGXRCSA-N 428.554 4.903 30 10 IJEE COc1cc(F)c(Br)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 1584166772 ATELGRXTNUIWLS-UHFFFAOYSA-N 443.276 4.626 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 1586269132 AEFXMZXEEDVKOR-RXVVDRJESA-N 435.524 4.523 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 1587178433 FSGDODQGMVYXDO-UHFFFAOYSA-N 439.560 4.827 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1587792797 ANUIGXUIBUZIHT-UHFFFAOYSA-N 439.673 4.993 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@](C)(O)C1CCCCC1 1588452011 LSYXFJKEXLPUNH-DEOSSOPVSA-N 426.630 4.670 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@]1(C)OCCc2sccc21 1588473474 NBFKMDQYTGCWHU-XMMPIXPASA-N 438.572 4.730 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCN1C1CC1 1589599582 IOOQVSGMOARRHQ-DENIHFKCSA-N 441.595 4.977 30 10 IJEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 1593735295 BTXZBZQGPSGQHA-HNNXBMFYSA-N 441.523 4.608 30 10 IJEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)CCOc1cccc(Cl)c1 1593895818 WGFXBQCEJLGIEP-UHFFFAOYSA-N 438.384 4.555 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](OC)C(C)(C)C1 1593923782 RYQYRJBJORQJQW-INIZCTEOSA-N 445.778 4.778 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC(C)C)c2ccccc2OC)CC1 1594102648 VJOIVTOBUPKFJF-DEOSSOPVSA-N 447.583 4.595 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1594236505 DLKVUHYVSQDNKU-LEWJYISDSA-N 445.558 4.503 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)c2ccccc2)CC1 1594511893 XMJHLIMELMOHJW-UHFFFAOYSA-N 444.627 4.971 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1594767256 QGQAENJKDQVVQG-HKUYNNGSSA-N 432.037 4.863 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCCCC1=O 1594894888 BLAZFLCGYSPLTA-GOSISDBHSA-N 441.645 4.546 30 10 IJEE C=CCN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1594986290 SNOATMQQSPPEHM-NQIIRXRSSA-N 427.643 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cccc(C)c2)C1 1595753016 FKIUKIIJJNQISJ-YTFSRNRJSA-N 438.616 4.529 30 10 IJEE C=CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCO[C@H](C)C1 1595900433 BAXACMXRIZEESD-LJQANCHMSA-N 444.645 4.689 30 10 IJEE C#C[C@@H](NC(=O)c1cc2c(Br)cccc2cn1)c1ccc(Br)cc1 1596984440 AJZPXLLIAIWGFM-QGZVFWFLSA-N 444.126 4.864 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCc3ccc(Br)c(F)c3C2)cc1OC 1598136756 WRJJVTGCSPIKQB-UITAMQMPSA-N 446.316 4.760 30 10 IJEE C#CCN(C(=O)c1cccc(C)c1I)[C@@H]1CCCc2ccccc21 1611223420 PRNBIDVMZIPXAR-LJQANCHMSA-N 429.301 4.753 30 10 IJEE CCOc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C#N)c(C)n2)cc1 1611760477 CLLINCNWQLDOIN-UHFFFAOYSA-N 427.533 4.983 30 10 IJEE CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](SC)C1)C(C)C 1616084384 BQPNAGQSJOZXSL-VXKWHMMOSA-N 441.645 4.990 30 10 IJEE CN(Cc1csc(Br)c1)c1nnc(COc2ccc(C#N)cc2)n1C1CC1 1617996246 BJJOLTRGBKWQHB-UHFFFAOYSA-N 444.358 4.524 30 10 IJEE COC1(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)CC#N)CCCCC1 1619061657 CVMLFVALBQOZGP-FQEVSTJZSA-N 425.577 4.562 30 10 IJEE CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 1622110457 HDNXLNOVWIWUGH-QGZVFWFLSA-N 430.879 4.949 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)cc1 1622205638 OZFPEYFUNRPKTN-UHFFFAOYSA-N 435.545 4.641 30 10 IJEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 1623065280 SABFWZHCMAJVNA-CYBMUJFWSA-N 429.439 4.602 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1OC 1623602992 ROZBZDPHRQEAMN-UFSNDUKISA-N 440.971 4.880 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(Oc4ccccc4)c3)n[nH]2)c1C 1625666492 ICHOABHPSZAKJF-UHFFFAOYSA-N 427.508 4.798 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(OC)cc1)c1ccco1 1630060220 OIURGNKJIBRRAF-MJGOQNOKSA-N 434.920 4.530 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC(C)C)c1 1630590007 HDKPIALWWYQLPJ-FQEVSTJZSA-N 441.593 4.535 30 10 IJEE C=CCCSCCNC(=O)c1sccc1NC(=O)c1ccc(Br)cc1 1632307834 RVCZKVPUKKMHPY-UHFFFAOYSA-N 439.400 4.802 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1636098352 GQBRYRUCAKIOAV-BWKNWUBXSA-N 427.589 4.606 30 10 IJEE C=CCOc1ccc(-c2nnc(SCC[C@@H]3Sc4ccccc4NC3=O)o2)cc1 1640985218 BRLUHVWLXIIQKZ-SFHVURJKSA-N 425.535 4.897 30 10 IJEE C#CC[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(OCCC)c(OCCC)c2)C1 1646575926 CRDZSCWESAROLT-HXUWFJFHSA-N 433.548 4.981 30 10 IJEE C[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)N1CCC(Cc2ccccc2)CC1 1648673593 CITZSDYWODVVHD-SFHVURJKSA-N 430.577 4.963 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H]1CCCC[C@H]1C(=O)OC 1651648410 QOCQSLXQLJIUPE-MAUKXSAKSA-N 435.977 4.768 30 10 IJEE C#CC[C@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C1 1655563059 WRRDGNSXFWZTBD-IBGZPJMESA-N 433.552 4.828 30 10 IJEE C=CCn1c(S[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)nnc1-c1ccccn1 1656356091 VEWNWLOYQAJHCM-INIZCTEOSA-N 434.443 4.551 30 10 IJEE C=CCOc1c(Cl)cc(CNC2(c3ncc(Br)cn3)CCC2)cc1OC 1658045142 LFUHTXPVJXHKQW-UHFFFAOYSA-N 438.753 4.635 30 10 IJEE Cc1nnc(O)c(CNC(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)c1C 1662729374 DEKNXHPGCBVLKI-UHFFFAOYSA-N 439.928 4.797 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc(CCOC)cc1)c1ccc(C(F)(F)F)cc1 1662980956 ORHNRAFUPSRBDI-FQEVSTJZSA-N 427.488 4.880 30 10 IJEE O=C(N1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC12CCCCC2)C(F)(F)F 1665127014 ALQZLCZRZCDXDC-UHFFFAOYSA-N 426.376 4.754 30 10 IJEE C=CCC1(CNC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCC1 1670311239 XRFRPQLUSPERKN-OAHLLOKOSA-N 430.902 4.768 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 1675382027 UOQWGWAPSNRPTL-QFIPXVFZSA-N 443.588 4.990 30 10 IJEE C#CCN(C(=O)NCc1cccc(Cl)c1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1677919680 LSZXEXOXPZBCCQ-UHFFFAOYSA-N 440.371 4.538 30 10 IJEE CC(C)[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(Cl)cc1F 1681272869 HJBKMTQQXHZTRD-DENIHFKCSA-N 428.939 4.596 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1681783397 JWPGIYJPPQJHKG-CVDCTZTESA-N 435.515 4.767 30 10 IJEE C#C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C)c1ccc(Cl)cc1F 1682366775 ILIJOEUSONKLBQ-XZOQPEGZSA-N 427.951 4.705 30 10 IJEE C=C(C)[C@@H](NC(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)c1ccc(F)c(F)c1 1686174148 YHJWYSGNIBTSQV-WOJBJXKFSA-N 432.421 4.683 30 10 IJEE C=CC[C@H](CC)NC(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O 1686285033 KKGJUGQYBJDUCX-WZMONFQBSA-N 442.368 4.684 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN(C)Cc1ccccc1 1689950973 ILVKSTJJJHLMHV-UHFFFAOYSA-N 447.652 4.867 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 1690174428 CXNNCQFZCGDTSS-JTHBVZDNSA-N 440.657 4.837 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N1CCC(C)CC1 1690213027 ZLKIXCIZNMUYLY-WNCULLNHSA-N 449.643 4.586 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1690258712 QPNQMTQFFYZDCL-YADARESESA-N 440.592 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCc1cccc(C)n1 1690266710 GBYKAEPHWHLJEU-HSZRJFAPSA-N 433.556 4.529 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1690316491 HBHOQADFLVPGDZ-UHFFFAOYSA-N 449.983 4.655 30 10 IJEE C=C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(CC)CC)CC1 1690366305 WMQFGXZGEKLMHT-UHFFFAOYSA-N 435.616 4.553 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 1690441864 HZQXUNLACIQBIT-UGKGYDQZSA-N 426.605 4.987 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(Cl)s2)C1 1690707322 SVNHYYLQYKPCCX-GOSISDBHSA-N 428.989 4.722 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690737223 DWHCAOOYXDPVOM-YWZLYKJASA-N 449.020 4.530 30 10 IJEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)Cc1cccs1 1690737240 FPBNEIXLUZSEPF-UHFFFAOYSA-N 442.610 4.724 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1CC1CCC(C(F)(F)F)CC1 1692346278 AGOHEDNTFDLNKN-UHFFFAOYSA-N 449.525 4.870 30 10 IJEE COc1ccc(CCc2nnc(N(C)C[C@H](C)C#N)n2[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 1697397866 ADHUIURMFXLGHB-NEWSRXKRSA-N 449.521 4.961 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N(C)C[C@H]1CCCCO1 1705513258 GFDQMCCFLIOJJK-QGZVFWFLSA-N 431.378 4.516 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCS[C@@H](C)[C@H]1C 1705536430 HVOMHVPMSBVCLU-MOPGFXCFSA-N 447.048 4.995 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H](SC)C(C)(C)C 1705547764 PLXOWNRQHMBWBL-FQEVSTJZSA-N 430.618 4.588 30 10 IJEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCCC1(C)C 1705612502 HWMODVIDXYJZBM-HXUWFJFHSA-N 443.636 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1cnc(C)s1 1705712658 BTNKJFUULFSWKR-UHFFFAOYSA-N 438.420 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705713211 WYUDGZRXJRPCAH-ACDBMABISA-N 434.588 4.941 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](CCC)OC)CC1 1705772299 MARMTJSYUSHHMX-LJQANCHMSA-N 449.393 4.591 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCN(C)C(C)C)CC1 1705777505 CRPUJRBIOADBRE-UHFFFAOYSA-N 446.437 4.840 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1705784732 HFTLQPVIKRUOEG-FCHUYYIVSA-N 437.632 4.688 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CCOCC2)C1 1705792930 GTPOPIHZKMRSCU-UHFFFAOYSA-N 430.543 4.756 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1705793150 NSPPKZRCJHUSHM-UHFFFAOYSA-N 441.023 4.931 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCC[C@H]21)c1ccccc1 1705795207 FCAWEUAAMGSVGL-MQSCRBSSSA-N 435.616 4.935 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705800153 PURLTRWIFXGSNU-PGRDOPGGSA-N 438.551 4.989 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705827227 YGFZTPKNBGEQPN-HSZRJFAPSA-N 432.996 4.833 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1CCC1(OC)CCC1)C1CC1 1705850547 XWLWVPGBRVSMLY-UHFFFAOYSA-N 437.407 4.883 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCCc1ccccc1)C1CC1 1705851676 OCKQABLKCBEKAL-UHFFFAOYSA-N 440.389 4.834 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1705887411 FRJIHSPLZOVILX-GDBMZVCRSA-N 445.386 4.922 30 10 IJEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC(C)(C)C1 1708233781 BJWKXNOUUXRCDR-QUCCMNQESA-N 439.629 4.744 30 10 IJEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2cccs2)CCO1 1708853054 AWJSZCJAQWBFNS-XMMPIXPASA-N 435.597 4.861 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(CCOCC)CCCC1 1722471055 PLULNWDXHWUNJV-RUZDIDTESA-N 431.584 4.796 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(F)(F)Br)CC1 1722582196 JEHKGQWDBZYIHZ-UHFFFAOYSA-N 447.274 4.537 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CC2CCC(F)(F)CC2)C1 1722721535 UIPKTWLSDYSNFH-NRFANRHFSA-N 430.543 4.670 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1726931313 HZRXNOCWFANYOH-SFHVURJKSA-N 446.555 4.815 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1727708618 CNDKBXXZJNLRJS-WTGUMLROSA-N 444.624 4.915 30 10 IJEE COCCC1(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)[C@@H](C)CC#N)CCC1 1730640062 CGMVSSOOAFDSMY-IBGZPJMESA-N 432.572 4.747 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)C(F)(F)F 1740732126 SDUYWGUIQUJXLB-HXUWFJFHSA-N 426.433 4.728 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1740747030 WGQYLDXRLRMYHX-QGZVFWFLSA-N 447.377 4.972 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)Cc2cc(Cl)ccc2OC)nnc1C(C)(C)C 1740766143 GDQAYUSZFMUHBT-OXQOHEQNSA-N 432.996 4.855 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCOC1 1740767844 AANVSEMRHFLJID-HNNXBMFYSA-N 437.357 4.676 30 10 IJEE C=C(C)COCCn1c(Nc2cnn(C)c2)nnc1[C@@H](C)Oc1c(C)cc(Cl)cc1C 1740799576 PJELTGCREVBNDN-QGZVFWFLSA-N 444.967 4.758 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 1740877120 YSFSXRHJNCYMQN-UXHICEINSA-N 434.943 4.856 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1(CN2CCOCC2)CCCCC1 1740893396 IWBIXDNFEMWXDF-UHFFFAOYSA-N 444.023 4.503 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CSCCS1 1740923521 NZZCQTNIHZGKJK-QZTJIDSGSA-N 436.672 4.622 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(C)C1)C(C)C 1740925242 ASUNRFSNKUDQPV-XMMPIXPASA-N 430.600 4.672 30 10 IJEE C=CCn1c(Cc2csc(C)n2)nnc1N(C)CCCc1cc(-c2ccccc2)no1 1740948112 VOOXMNROIHPINK-UHFFFAOYSA-N 434.569 4.544 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)C1 1740973600 AEOFVKJIRHMZHN-CEMLEFRQSA-N 445.007 4.831 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOC(C)(C)C)C1 1740975401 OOZBURPHYWOUBZ-OAQYLSRUSA-N 426.605 4.839 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)CC1 1740997305 YAWNVKANBDLAMD-IBGZPJMESA-N 425.602 4.694 30 10 IJEE CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(C)C)CC1 1747006901 CULBFATYJCCYLT-UHFFFAOYSA-N 439.604 4.664 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC(OC(C)C)CC1 1748739241 AXUBIJWXRMROBJ-UHFFFAOYSA-N 437.407 4.576 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1cscc1C 1748914742 IQCOHARKIPGDKL-UHFFFAOYSA-N 433.350 4.724 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cc(C)cs1 1749022598 KUTCQXWJFJTNQV-QGZVFWFLSA-N 444.601 4.930 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC[C@H]1C 1749054036 OECZVELKEGQPNG-XMODTWTHSA-N 442.991 4.736 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccc(COCC(F)(F)F)cc1 1749068049 BISJNNPHPKLONU-HSZRJFAPSA-N 448.533 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(OC)CCCCC1 1749148859 IUOCWAIVXKZERU-UHFFFAOYSA-N 428.577 4.714 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(C(C)C)CC1 1749154008 IELBJZWLMBSCPZ-UHFFFAOYSA-N 448.615 4.904 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1749287875 DNRUUPLKAZIULP-FQEVSTJZSA-N 446.437 4.840 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1749305509 JBTFVYVAOOHXFV-UHFFFAOYSA-N 431.437 4.627 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(=O)NC(C)C 1749356137 XVUHBLFJFOMATB-QGZVFWFLSA-N 443.661 4.695 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(C(=O)NC2CCCCC2)CC1)c1ccccc1 1749385088 MQHMSJXBMKKVNA-QHCPKHFHSA-N 449.643 4.866 30 10 IJEE C=CCCCn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 1749429415 LNXRXPCEKCZALK-HXUWFJFHSA-N 436.604 4.858 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1C[C@@H]1C 1749586112 MCFXUWZFBJIMTE-JKSUJKDBSA-N 444.377 4.530 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)N(C)C2CC2)C1 1749700364 JXEWMIANTVSTBU-AUSIDOKSSA-N 437.632 4.507 30 10 IJEE CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN(CC)C(=O)OC(C)(C)C 1752610442 ALSRBPNWGXELDD-GOSISDBHSA-N 440.592 4.557 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCCC[C@H](C)C1 1760148527 CPKANQOBBZMCNT-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nc(C(F)(F)F)cs1 1760164696 YDBDWXCZPQWJMK-OAHLLOKOSA-N 449.502 4.628 30 10 IJEE C#CCSCCn1c(CSc2ccc(C)cc2)nnc1N(C)Cc1scnc1C 1760286330 IFSFWMGFSDADFZ-UHFFFAOYSA-N 443.667 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCCCCC1 1760340615 GZTNGSZSOUOEAO-UHFFFAOYSA-N 426.605 4.962 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCc2cc(F)cc(C)c2C1 1760358918 BVNJSHIXBYWQJS-UHFFFAOYSA-N 426.561 4.533 30 10 IJEE C=C(Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)c1ccccc1 1760365116 NRCIBLXIBBMRIF-MRXNPFEDSA-N 449.502 4.955 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1760370118 HSVNMSBLCNPWSN-HXUWFJFHSA-N 430.980 4.561 30 10 IJEE C=CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760423269 URDIQVKXFIFMQX-IAGOWNOFSA-N 433.394 4.986 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)COC 1760483252 KQZQCPDZARQZPT-INIZCTEOSA-N 429.927 4.608 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1c(C)noc1C 1760491538 KRYCRSRFHNQSAL-UHFFFAOYSA-N 428.334 4.539 30 10 IJEE O=C1Nc2ccc(F)cc2/C1=C1/SC(=Nc2nccs2)N(C2CCCCC2)C1=O 1772734139 MHGHWNANMCWRPP-DZMLSNCMSA-N 428.514 4.541 30 10 IJEE N#Cc1ccc(NC(=O)c2ccc(CNC(=O)c3ccccc3Br)cc2)cc1 1860831323 QLHGADUSCZFAFJ-UHFFFAOYSA-N 434.293 4.503 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2Cc2cccs2)c1 1862413548 GFNIHIWMOSRGDL-FQEVSTJZSA-N 441.455 4.813 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2CCCOC)c1 1862436909 FEQUUHUOEWUETM-OAQYLSRUSA-N 443.927 4.744 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCC(C)C)cc1O 1862549571 RSHXASNWCGJXIH-XMMPIXPASA-N 449.547 4.904 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cccc(N)c3)[C@@H]2c2ccc(Cl)cc2)cc1 1862558103 TWELJOXPGLJEGJ-QFIPXVFZSA-N 448.906 4.709 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862601317 BIHPGIRLFNUQOR-NYHFZMIOSA-N 439.508 4.565 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2ccccc2C)c1 1862698167 BMEILVPVVRZBSP-XMMPIXPASA-N 443.499 4.661 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Br)cc2C)=C(c2ccc(C)c(C)c2)C1=O 1863255871 PFIKOEWISXRAHS-UHFFFAOYSA-N 425.326 4.752 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1ccc(F)cc1 1864782703 IQDUWVBCVXTNRQ-HXUWFJFHSA-N 428.552 4.522 30 10 IJEE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1cccc(C#N)c1 1866650859 YVEVRBZNFPOVGS-QFIPXVFZSA-N 444.535 4.686 30 10 IJEE CCCC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N 1866945988 JWKSZMIDAWRLDY-MGPUTAFESA-N 442.357 4.738 30 10 IJEE CCCC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 1866946634 QXQAVTHBIJLPOB-YWZLYKJASA-N 442.357 4.738 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@@H](C)c1ccc(Cl)cc1 1868682659 KYASFUAPBGROLL-WZONZLPQSA-N 442.962 4.901 30 10 IJEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)cc1F 1870145143 UNWWEQCNPHEBIH-UHFFFAOYSA-N 429.455 4.537 30 10 IJEE CCOC(=O)c1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(C)o2)C4=O)cc1 1871345904 YNKRYCFTVFTXBN-FMCGGJTJSA-N 445.471 4.733 30 10 IJEE CCCCCCCCCCOC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1 1871426938 FJGKIBUGQSUEIB-UHFFFAOYSA-N 446.540 4.880 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N(CC)CCO)n1 1871505411 XLAHFISHLQZJQG-UHFFFAOYSA-N 428.625 4.752 30 10 IJEE CCCCCCCCN=c1nc(N2CCc3ccccc3C2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545215 FUAOMJIKVXEZCL-UHFFFAOYSA-N 448.590 4.933 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c(C)c1 1872007133 QSXWUVZKOORGTK-IBGZPJMESA-N 428.598 4.805 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(F)cc1 1872299034 VERZIJCQDGBLFO-FQEVSTJZSA-N 438.952 4.772 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cc(C)ccc1C 1872554791 GNRZKIVHSYZCOF-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE CCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(OCC)cc1)c1ccccc1 1872604725 BLBAGIQONULOLK-HSZRJFAPSA-N 446.613 4.582 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(=O)O[C@H](C)CC)cc2)=C(c2c(C)cc(C)cc2C)C1=O 1873330723 QJKROHRARRPICC-LJQANCHMSA-N 446.547 4.945 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(O)c(O)c1 1874204713 PMNPHZNQASJUQT-ZVBGSRNCSA-N 439.324 4.569 30 10 IJEE Cc1ccccc1CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccncc1 1874295951 CFNGQTYWLYZGAY-MFKUBSTISA-N 444.520 4.655 30 10 IJEE COc1ccc(CCc2nnc(SCCCO)n2/N=C/c2ccc(C(C)C)cc2)cc1 1874307507 AOGFAOXXADOQQU-KOEQRZSOSA-N 438.597 4.552 30 10 IJEE CCCSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cc(OC)ccc1OC 1874343378 OKRFCBBVVQNLTQ-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(OCC)c(OC)c1 1874380774 KNIVRZDUFJYSBM-BUVRLJJBSA-N 426.517 4.576 30 10 IJEE Cc1ccccc1/C=N/n1c(SCC(=O)NCc2ccccc2)nnc1C1CCCC1 1874457238 HVCJXACZTLLGBJ-WGOQTCKBSA-N 433.581 4.535 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2/N=C/c2ccccc2F)cc1C 1874483459 XFKRRQIUOQUHNC-DHRITJCHSA-N 439.560 4.945 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2/N=C/c2ccccc2OC(C)C)c1 1874529601 RMAAMILMDKGKAF-ZMOGYAJESA-N 437.569 4.604 30 10 IJEE O=C(COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-])NC1CCCCC1 1874612039 YVZSGMDQEYKNGI-UXBLZVDNSA-N 444.434 4.597 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)cc1 1874698133 XKFZOMQGMAGNDG-VGOFMYFVSA-N 446.459 4.785 30 10 IJEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1Cl 2010542808 GQRVBOJKUXYXQI-YWZLYKJASA-N 443.931 4.649 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 2045248346 ICPKYNCQAWWOQB-BXKMTCNYSA-N 445.560 4.976 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]2(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 2067217267 NMAHJXOSRXZIIO-JOCHJYFZSA-N 448.568 4.997 30 10 IJEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1cc(Br)ccc1C#N 2105984352 XYDSJOULTJSURC-QGZVFWFLSA-N 430.293 4.767 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1c(F)cccc1Br 2116838390 GXTKINNEVYKNNY-SJLPKXTDSA-N 427.358 4.936 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(F)cc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c1 2124542124 ZZSYLKDEKLMNAO-UHFFFAOYSA-N 446.328 4.576 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(NC(=O)OC(C)(C)C)CCC2(CC2)CC1 2137691729 VQJJBHYNZUXHED-UHFFFAOYSA-N 427.383 4.527 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 2145541421 MMTHSFMWESOINK-OALUTQOASA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2C#N)c2ccccc2C1 2174812480 LJZJZYVIEMSXFB-UHFFFAOYSA-N 429.318 4.605 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 2181054498 XXFBEOYOPZKQKH-MRXNPFEDSA-N 438.366 4.931 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](Cc2cc(F)ccc2Br)NCC)C1 2183007594 DWSYOFMYZMVZQY-GOSISDBHSA-N 441.385 4.970 30 10 IJEE C=CC[C@H](CO)CNc1sc(Br)c(Br)c1Br 2212201255 VEMIOURNOGFNRL-LURJTMIESA-N 433.991 4.632 30 10 IJEE O=C(C#Cc1ccccc1Br)c1cc(Cl)ccc1I 2227505625 MKPOVRARXLFZCS-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC1(C)OB(C2(C(=O)N3[C@H]4CCC[C@H]3CN(Cc3ccccc3)CC4)CCC2)OC1(C)C 2266995408 HXAVALPZWFQSNZ-VXKWHMMOSA-N 438.421 4.659 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#Cc2cccc(Br)c2)CC12CCCC2 2296219417 NXZRIDXANVLDAG-MJGOQNOKSA-N 433.390 4.698 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2ccc(Br)cc2)CCC12CCC2 2296268724 IGQCZPBXGNXYSO-HKUYNNGSSA-N 434.374 4.731 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](N)C#Cc2ccc(Br)cc2)C12CCCC2 2296288114 CGNMRKDLQCEDPH-RBUKOAKNSA-N 433.390 4.698 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1 2314429554 JSLHZKZQUBRTRV-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1ccc(Cl)cc1 2314522711 UNGGVPGJIVOPOH-JOCHJYFZSA-N 442.943 4.643 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)C(C)(C)Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2317350269 PRGFVOUILPGAFF-INIZCTEOSA-N 432.370 4.797 30 10 IJEE Cc1scc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1B1OC(C)(C)C(C)(C)O1 2320439932 VZLGTMWGNVXBTE-UHFFFAOYSA-N 437.370 4.791 30 10 IJEE Cc1ccc(OCc2nnc(S)n2N=Cc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 2322260435 XONRUYKPMOGGPN-UHFFFAOYSA-N 425.514 4.542 30 10 IJEE COc1ccc(C=CC(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccccn2)C3=O)cc1OC 2323069197 UCUWBOVQSPTBQC-UHFFFAOYSA-N 443.455 4.642 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 2323933896 XQFZWUZPMWTIHH-UHFFFAOYSA-N 432.900 4.975 30 10 IJEE COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2324464978 GCUZALOFGRQYOS-OAHLLOKOSA-N 433.435 4.857 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)C=Cc3ccc4c(c3)OCCO4)n2)cc1F 2324628129 MIMPIHUCIQGDKV-INIZCTEOSA-N 436.464 4.619 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)c(OC)c2)n1N=Cc1cccs1 2326191023 VCTZXRRVOIQSDJ-UHFFFAOYSA-N 428.583 4.692 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc[nH]1 2328689804 QDEHYNZBOVOPRW-UHFFFAOYSA-N 435.528 4.714 30 10 IJEE COc1ccc(OC)c(C=Nn2c(SCc3ccccc3C)nnc2[C@H]2CCCO2)c1 2330896195 GUTDJQOKGJEQDY-OAQYLSRUSA-N 438.553 4.630 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccco2)c1 2331170128 AOUJOKDJUZQMGJ-UHFFFAOYSA-N 435.484 4.599 30 10 IJEE COC(=O)c1ccc(CSc2nnc(C3CCC3)n2N=Cc2cccc(Cl)c2)o1 2331512450 IFMAZPNZIDABGV-UHFFFAOYSA-N 430.917 4.753 30 10 IJEE CCCc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc2c(c1)OCCO2 2331659532 UBPBFEUQPOQIAX-UHFFFAOYSA-N 428.945 4.830 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339574430 HXEXFRSNQBXDTE-KDURUIRLSA-N 443.397 4.974 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339587686 YBGTVLCBDIHCQA-MOPGFXCFSA-N 444.381 4.893 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(OCC)cc2)cc1 5926979 FQNKFXSWJAIMRZ-JOCHJYFZSA-N 433.460 4.860 30 10 IJEE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/N=c1\sc2ccccc2n1C 12558683 UCRXRSQUJBFEFA-FOWVXNRSSA-N 430.581 4.659 30 10 IJEE CCCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OCC)cc1)C2 21256188 QRCYNCKSVUQZDA-GHTZIAJQSA-N 449.547 4.887 30 10 IJEE CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C/c2ccc(O)c(OCC)c2)C1=O 36258276 RHYKCYNAPDVEMD-CPNJWEJPSA-N 425.506 4.643 30 10 IJEE O=C1Nc2ccccc2/C1=C1/S/C(=N/c2ccncc2Cl)N(C2CCCCC2)C1=O 39864624 HNVHRTCMVARWKP-SMHMRBDASA-N 438.940 4.994 30 10 IJEE CC[C@@H](C)c1ccc(N/C(=N/C(=O)c2ccc3c(c2)OCO3)NCc2ccncc2)cc1 45940387 MOLAHEZAGQPHLM-QGZVFWFLSA-N 430.508 4.722 30 10 IJEE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)[C@@H]1CCCN(CCC#N)C1 62039426 PLAOSQHQFNQQGZ-GOSISDBHSA-N 439.581 4.773 30 10 IJEE C/C(=N/O[C@@H](C)C(=O)Nc1ccc(Br)cc1)c1ccc(NC(=O)C2CC2)cc1 97002987 ZMOKZHAAOIFAJJ-IDFPFIHXSA-N 444.329 4.565 30 10 IJEE O=C(/C=C\N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Br)cc1 97399231 CIHFUCYTJBHFBA-HJWRWDBZSA-N 439.275 4.987 30 10 IJEE COCCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1 110330287 OIUVGBDUWFNQEL-QQYUXEJHSA-N 443.499 4.937 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(Cl)c3)[C@H]2c2ccc(O)cc2)cc1 169959718 QFYFKPXFJQMTCC-OAQYLSRUSA-N 435.863 4.837 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 169985119 ASMNQLNXLLXSOV-NRFANRHFSA-N 449.484 4.658 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc2ccccc12 170044250 SYMMUSSWKNRQKM-UUOWRZLLSA-N 443.499 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1)c1c[nH]c2ccccc12 170049890 NBACHHZTPZXATK-HSZRJFAPSA-N 438.439 4.680 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 170050855 YTAJPIUOGDGHEJ-QFIPXVFZSA-N 427.456 4.565 30 10 IJEE O=C(O)c1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 170051239 JCJYHOUWCGESBI-NRFANRHFSA-N 447.874 4.817 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(F)cc2)c(C)c1 170064836 DQFDWIUOLAEBNU-JOCHJYFZSA-N 441.499 4.536 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1c[nH]c2ccccc12)c1ccc(F)cc1 170074844 VLUAWZATQCIWPU-QFIPXVFZSA-N 428.419 4.796 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1Cc1ccco1 170123481 XCFZZYYBSYCNIB-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)c(OC)c1 170126334 KDXKOJSAKFSCFI-DEOSSOPVSA-N 449.547 4.961 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(N(C)C)cc2)cc1 170129970 BTSJFGDLEXOKKF-QHCPKHFHSA-N 434.536 4.672 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 170134396 PHIOZONYSVATOY-JOCHJYFZSA-N 433.460 4.551 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)cc1 170203422 DQAIRSURGSHNJC-QHCPKHFHSA-N 428.488 4.899 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccncc1 170211944 LHQYAHNYLOMBHB-QFIPXVFZSA-N 434.536 4.909 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccccc2F)cc1 170247239 MANGWOVUYVEWDJ-JOCHJYFZSA-N 441.499 4.619 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1c[nH]c2ccccc12 170255453 PUHGLEWJMNWMEL-WNSKOXEYSA-N 430.504 4.870 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(F)c(F)cc3s2)[C@@H]1c1ccc(O)cc1 170450776 HKIDVTICCDRGGU-QGZVFWFLSA-N 444.459 4.795 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 170468431 IVBSRHVUNOWVKD-OAQYLSRUSA-N 435.520 4.896 30 10 IJEE C=C[C@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)c1ccc(OC)cc1 220747307 SGHZRTPZQGLDSD-XUZZJYLKSA-N 433.529 4.734 30 10 IJEE C=CCn1c(C(=O)NCc2nc3ccccc3n2CCC)cc2oc(Br)cc21 223721247 FOLCYQLJTCHYTH-UHFFFAOYSA-N 441.329 4.873 30 10 IJEE CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CCC(Oc2ncccc2C#N)CC1 437090383 AKYLZZFOHLXGFH-VIQWUECVSA-N 426.542 4.712 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)[C@H]1Cc2ccccc21 475967015 OFDGQKTYLVMKKQ-IBGZPJMESA-N 425.941 4.698 30 10 IJEE Cn1cc([C@@H](NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C(F)(F)F)cn1 487738797 MRGSSTOOVPSXTP-GOSISDBHSA-N 434.805 4.771 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)c1cn(-c2ccccc2)nn1 489613181 GKRBMBUXQIAZOV-SFHVURJKSA-N 432.553 4.786 30 10 IJEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 521083020 NXXDKYZZVOENEV-XMMPIXPASA-N 448.544 4.574 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(-c4ccccc4OC)cc3)cc2C1=O 525591801 YOSMZSZKYHDONW-KRWDZBQOSA-N 440.499 4.635 30 10 IJEE COc1cc(C#N)ccc1NC(=O)c1cccnc1Oc1ccc(F)cc1Br 546710883 ZREGWWWFFGMXAW-UHFFFAOYSA-N 442.244 4.908 30 10 IJEE CC(C)c1ccc([C@@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)c2cccs2)cc1 550197063 GGTIXDHFKGSQAO-HSZRJFAPSA-N 429.545 4.538 30 10 IJEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 558984540 CODWXBMGDKGBIS-JOCHJYFZSA-N 438.959 4.707 30 10 IJEE C=CCn1c(Cc2ccsc2)nnc1N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 562029760 OPWPCKGDODLOOM-UHFFFAOYSA-N 442.560 4.599 30 10 IJEE CCN(CC)CCCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586143832 LLYVUUNOEZSTSX-UHFFFAOYSA-N 441.641 4.779 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1F 586506874 QDSWDPMJIRXHDS-UHFFFAOYSA-N 446.327 4.579 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccc(C(=O)Nc3scc(C(C)(C)C)c3C#N)cc2)C[C@H](C)O1 586681706 GQZBXZGAOMHKNV-GJZGRUSLSA-N 440.569 4.811 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NCc2nc(O)c3ccc(C(F)(F)F)cc3n2)n1 611724824 FCINPQOJKBHLKM-UHFFFAOYSA-N 444.804 4.677 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 672239834 UWSGGRURFXEQOZ-LJQANCHMSA-N 449.521 4.699 30 10 IJEE C#Cc1cccc(NC(=S)/C(=C(/O)c2ccc3c(c2)OCO3)[n+]2ccc(CCC)cc2)c1 726572722 LJBUGEQKRAUXII-UHFFFAOYSA-O 443.548 4.960 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(N)cc(Cl)c1Cl 747021392 JTQMZUTUOSIRNG-NSHDSACASA-N 438.336 4.623 30 10 IJEE C#CCOc1ccc(CN2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)cc1 769466503 KLNXRPBKAJVMGN-UHFFFAOYSA-N 448.460 4.507 30 10 IJEE C#C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1)c1ccc(F)cc1 794893405 HWYOMDVQDPAFOG-QFIPXVFZSA-N 448.519 4.669 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(C)=C(c2ccco2)C1 812178869 LDWXTWZEMUGILJ-UHFFFAOYSA-N 447.539 4.557 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=C(C)c3ccncc3)n2)cc1 1084494265 KCAHRRMUBGCYQZ-OAHLLOKOSA-N 437.573 4.670 30 10 IJEE C#CC[C@@]1(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CCCN1C(=O)OC(C)(C)C 1126922703 KZJOUJWCSTZQLF-QFIPXVFZSA-N 437.367 4.671 30 10 IJEE C#CC[C@@]1(C(=O)O[C@@H](C)c2ccc(OC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1127721742 AGZRCOXXTKINLA-BTYIYWSLSA-N 441.446 4.982 30 10 IJEE C=CC[C@H]1N(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CCCC1(C)C 1128469263 OZPLBHVRPVVRGH-PZJWPPBQSA-N 429.630 4.532 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(c2cc(Br)ccc2OC)CC1 1128907725 PNXYRQWCLXVFFJ-UHFFFAOYSA-N 446.389 4.872 30 10 IJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2c(Br)c(F)ccc2[nH]1 1147578177 IBCRZIZAYKFLCG-HNAYVOBHSA-N 426.289 4.981 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 1219125449 FWZINIBFSDROBG-UHFFFAOYSA-N 430.455 4.815 30 10 IJEE C=CCCC1(CNC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CCCC1 1252984134 ODILRHIUDMQGEU-UHFFFAOYSA-N 431.378 4.961 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1 1264919873 INZWCSUQZOFCCS-QFIPXVFZSA-N 435.524 4.771 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(C)cc(Br)c2)nnc1-c1ccco1 1269543326 PZEFLNCMXBAWGP-UHFFFAOYSA-N 447.358 4.916 30 10 IJEE C=CC[C@@]1(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1270456508 CQCOOWXIXJCNPF-SVMVAKDDSA-N 449.389 4.767 30 10 IJEE N#CCOc1ccc(CC(=O)N2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)cc1 1275145693 GLTHJJULUWSJRY-MHZLTWQESA-N 445.607 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(CCOC)CCCCC1 1286296752 RLKJSQMGLSBIGM-SFHVURJKSA-N 430.543 4.592 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(CCC)C(=O)C1 1286317415 LXXPQXDSNDAYTK-UHFFFAOYSA-N 448.398 4.504 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC=C(C(F)(F)F)CC1 1286336689 MVUMIEYAPSLTFT-UHFFFAOYSA-N 432.490 4.976 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCN2CC)CC1 1286637528 GXKINCICINXMHQ-AZUAARDMSA-N 429.996 4.712 30 10 IJEE C=CCCOCCn1c(N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)nnc1C(C)(C)C 1286714789 WLTIAOYOBRHAPV-VXKWHMMOSA-N 426.605 4.772 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1OC 1286740192 DXELSMYQBZDNRW-ZJSXRUAMSA-N 447.583 4.665 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO[C@H]1C(C)C 1286743725 PWNYQSLLKPQJLN-RPWUZVMVSA-N 431.584 4.984 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccc(O)cc2)CC1 1286831777 CDKWLSGQGYECBT-NRFANRHFSA-N 428.602 4.529 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1CC1 1287605044 CVCBUJCUNYCPBM-UHFFFAOYSA-N 444.624 4.569 30 10 IJEE C[C@@H]1CCCC[C@H]1OCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1291085503 CFGXPHJCEHAQSK-ZWDAVXSWSA-N 431.943 4.636 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc(CC)s1 1300565689 UOIFVIWLYLERDB-UHFFFAOYSA-N 438.984 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1300907265 FJAYIUFYDIVHPA-GOSISDBHSA-N 443.592 4.659 30 10 IJEE C=C(Cl)Cn1c(N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1301062002 ZZLOWOFRQWRDHY-UHFFFAOYSA-N 426.005 4.554 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cc(C)on2)CC1 1301134291 HWMYJKXRCDUTHL-UHFFFAOYSA-N 448.354 4.911 30 10 IJEE C=CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(C)C)C1)c1ccccc1 1301167640 DAPHKSHMJXCNJN-BJKOFHAPSA-N 432.616 4.982 30 10 IJEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1301246828 XTDVBABTKFWRTM-UNMCSNQZSA-N 441.620 4.530 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(c4ccc(C(F)(F)F)cc4)CCC3)n[nH]2)c1C 1301262390 JWQFQDGOWGBYOY-UHFFFAOYSA-N 443.473 4.904 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCO[C@H]1C(C)C 1301350921 DIOQVWWLKSXAMX-XPNTWCBSSA-N 442.579 4.565 30 10 IJEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1CCCc1nc2c(s1)CCCC2 1302885547 ACCSMFZBAVZPLS-UHFFFAOYSA-N 426.634 4.575 30 10 IJEE C#CCN(Cc1ncccc1Br)[C@H]1CCOc2ccc(Br)cc21 1307475866 JLYSAHBCTWIECU-KRWDZBQOSA-N 436.147 4.566 30 10 IJEE C[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 1310171174 AUZCUSDEELVUKS-POEINMCQSA-N 431.945 4.815 30 10 IJEE C#Cc1cccc(CNC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccsc2)c1 1312863744 ZVQIXZDDZZTTJE-UHFFFAOYSA-N 434.561 4.701 30 10 IJEE COc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCC2(C)C)cc1 1315533593 FLCSVCYYMBHYMR-KBMIEXCESA-N 437.588 4.822 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 1352062794 IXSYHBAVUAVLDG-UHFFFAOYSA-N 440.316 4.666 30 10 IJEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)Cc1cc2ccccc2o1 1359085203 FXEIIZJUQUZWGJ-UHFFFAOYSA-N 438.329 4.555 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)c1cccs1 1359107611 QHPKXZKXVKFINL-SBUREZEXSA-N 444.576 4.929 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@H](c1ccco1)N1CCCC1 1359114308 GZIJBRZXBLLRSO-JOCHJYFZSA-N 437.563 4.841 30 10 IJEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N(C)Cc1cc(OC)ccc1Br 1359147272 AGAAKWBERUUJBT-UHFFFAOYSA-N 448.752 4.500 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1359182081 ROZGFPJSMQLEHL-MOXQZVSFSA-N 430.637 4.803 30 10 IJEE C=CCCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N(C)[C@H]1CCOC1 1359222710 PXZFCXCNSRZPDO-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=CCCOCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1 1359229174 APQQFICVANCZRW-QGZVFWFLSA-N 434.878 4.711 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CC12CCOCC2 1359256358 DASZVGKHVWVHLN-QFIPXVFZSA-N 433.600 4.748 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1CCN(C)C(=O)OC(C)(C)C 1359268562 UVPBSXJDQBHRHV-UHFFFAOYSA-N 431.968 4.644 30 10 IJEE C#C[C@H](NC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1F 1436655041 QJJKCRCNTOCNJN-QHCPKHFHSA-N 448.925 4.956 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 1438146231 HCHSVBCBNJYCBI-AEVNAPKZSA-N 440.543 4.888 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCC(Cc3nc4c(s3)CCC4)CC2)cc1OC 1439822305 MSZFSYRDKONPAE-CSKARUKUSA-N 438.593 4.700 30 10 IJEE C=C(C)[C@H](NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)c(F)c1 1447970440 JLIWYQNXSKXWTA-DEOSSOPVSA-N 436.458 4.921 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCC3(c4ccc(C)cc4C)CCCC3)ccc2c1=O 1450395316 DKDMHLDZHRRRLE-UHFFFAOYSA-N 447.604 4.730 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1 1451475664 BFHWHQFKDXLENY-NRFANRHFSA-N 429.476 4.509 30 10 IJEE N#C[C@@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CCN1Cc1ccccc1 1456273574 HOLYNQAQFYMGCL-JOCHJYFZSA-N 441.497 4.754 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc2c(c1)nc(O)n2CC1CC1 1460781430 PAACMSTWJHIJRY-UHFFFAOYSA-N 442.313 4.732 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)Nc2ncc(F)cc2Br)c1 1461546101 AESQDNDIFIIACQ-UHFFFAOYSA-N 426.245 4.686 30 10 IJEE C#CC[C@H](CCOC)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1461936740 VTIGNCXGKSQZTL-GOSISDBHSA-N 436.335 4.739 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Br)cc1Br)C(C)C 1464867365 AYJOVEKFCLLWNL-QGZVFWFLSA-N 444.211 4.640 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Br)c(C(F)(F)F)c1)C(C)C 1464869283 JINWIXMHNANDJP-QGZVFWFLSA-N 433.312 4.896 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(N2CCc3sccc3C2)nc1)C(C)C 1465214910 MGOWQVAAFAFAEN-OAQYLSRUSA-N 439.629 4.526 30 10 IJEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCCc2ccccc21 1465257997 PHDSFZAIILGPAM-GLDPYIMESA-N 435.543 4.984 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1C)c1ccc(Br)cc1 1469801812 KQJOQMZADRMWQR-QGZVFWFLSA-N 425.248 4.950 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1470787464 XBANGTQCMXCZRA-QIJUGHKUSA-N 427.589 4.783 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CC[C@@H](N4CCCCC4)C3)c2C#N)C1 1473170087 DUYZLAALFFVNMZ-RTBURBONSA-N 442.673 4.660 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)Cc1ccc(OC)cc1OC 1476728800 LQTFBGNXLFGGGB-UHFFFAOYSA-N 435.318 4.695 30 10 IJEE C#C[C@@H](NC(=O)NCC1(c2ccccc2OC)CCCC1)c1ccc(Br)cc1 1477607827 ATLPBXBQHVPIPJ-HXUWFJFHSA-N 441.369 4.943 30 10 IJEE CCc1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cccs2)s1 1498194971 IAKOSNLDDACKST-UHFFFAOYSA-N 434.594 4.624 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1ncc(CC)s1 1507547185 NDKYRLXKCZGKMD-CQSZACIVSA-N 432.018 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCC1CCOCC1 1507760989 CGXZRIPAXRJLMA-HSZRJFAPSA-N 430.955 4.937 30 10 IJEE C=C(Br)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1507774724 AXQGMGDGXNKFFC-MRXNPFEDSA-N 425.758 4.541 30 10 IJEE C=CCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@H]1CCCCO1 1507960192 WNKKAEOUIBNSSS-JOCHJYFZSA-N 426.605 4.841 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1Cc1c(C)noc1C 1507998675 SBNAXRNFXRRRRL-UHFFFAOYSA-N 444.539 4.503 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCc1csc(C)n1 1508018485 UKDQJFHMRWPJID-UHFFFAOYSA-N 432.553 4.786 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1(C)CCOCC1 1508037811 KTBNNGAWIUJQQY-UHFFFAOYSA-N 439.387 4.707 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)CC)C1 1508110799 BDGBOWGEFBUJOB-MRXNPFEDSA-N 433.394 4.925 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)C1 1508151556 DHILXCNGLWQYFX-IBGZPJMESA-N 430.618 4.569 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC1CC(C)(C)C1 1509302230 HNRNYYIVFZWEAV-JOCHJYFZSA-N 437.588 4.993 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)cc1OC 1519706883 BZQQRMCYCXTKRD-WGPYJDKQSA-N 448.332 4.922 30 10 IJEE C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1525748964 CHCQAYOIGPKZGE-GOSISDBHSA-N 429.545 4.785 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)cc1 1527664915 AZYBTWKKNSTTRK-HSZRJFAPSA-N 425.532 4.792 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C/C=C\c2ccc(F)cc2)c(C(=O)OCC)c1C 1532544838 BMVCBSIKXMHKKM-SREVYHEPSA-N 431.485 4.757 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@]3(C)c3ccc(C(F)(F)F)cc3)cc2C1=O 1535315665 ZPHHKRCMJLFKAH-QHCPKHFHSA-N 442.437 4.639 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 1536323650 IWAFWRZZCOCZML-XMSQKQJNSA-N 431.363 4.770 30 10 IJEE C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Sc3ccc(Cl)cc3C#N)cc1)CS2 1536513588 FRSWEGRAMOIAKB-LAUBAEHRSA-N 443.981 4.755 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2ccc(Br)cc2Cl)c(OC)c1 1538865202 DDGHLCMQOIOEMU-UHFFFAOYSA-N 425.706 4.962 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1c(C)coc1C 1539290201 QEZAPTNRNSZISD-UHFFFAOYSA-N 430.552 4.620 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]32)c1 1539458366 LYHZSTWIHCOPOJ-NBHGPNQESA-N 444.984 4.640 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1539616913 SNCRDKWAFLWCIJ-XTCYKFNRSA-N 428.552 4.631 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C)CC1 1539620691 MTMFVHBPHKMBJR-BXWFABGCSA-N 448.409 4.643 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)OCC)CC1 1539882603 QLAMTXHRLHCWLL-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(-c2ccccc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1539954755 DUAFHOROTAGGOE-HXUWFJFHSA-N 425.577 4.747 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCSC1 1540180740 UJUQRGBXQBVCLT-FGZHOGPDSA-N 426.630 4.898 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCC(C)(C)C)C1 1540889083 DVQBRNLNMKXNMZ-QFIPXVFZSA-N 434.588 4.738 30 10 IJEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccc(Cl)cc1 1541121292 GWQNKCKAOOQBMK-NSISKUIASA-N 429.996 4.689 30 10 IJEE CC(C)(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C)CCCC1 1541185199 ALCCFQISACKCPE-UHFFFAOYSA-N 434.632 4.641 30 10 IJEE Cc1ccsc1CCn1c(C(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1542065865 HZQHKXOLZBZBDS-UHFFFAOYSA-N 435.597 4.934 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](OC)[C@@H](C)CC 1545449386 GNCBJMAZMLWZTE-SFYKDHMMSA-N 439.604 4.772 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CC[C@H](F)C1 1555544638 FLVYJSKHGCRESE-SFTDATJTSA-N 437.519 4.509 30 10 IJEE N#Cc1ccc(-c2cc(N3CCN(Cc4ccc(Cl)c(C(F)(F)F)c4)CC3)n[nH]2)cc1 1559977680 AMPMMEUHHDHJGI-UHFFFAOYSA-N 445.876 4.943 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2sc(C(=O)OCC)cc2c1 1561646623 CJDSRGYBYIXRNK-SFHVURJKSA-N 429.563 4.544 30 10 IJEE C=C1CCC(CNC(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)CC1 1562866254 MZWCBHSCZPKYIZ-UHFFFAOYSA-N 443.569 4.672 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@](C)(c2ccccc2)C1 1562929377 SCVLEZKBRYZMSW-NRFANRHFSA-N 431.330 4.793 30 10 IJEE C=CCCC[C@@H](C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1564429352 VMOJGPKKGXCGSH-COPCDDAFSA-N 445.604 4.832 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 1566438476 ACCAPVWGKOAPKI-VKJFTORMSA-N 426.479 4.620 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N(CCC#N)Cc2cccnc2)c2ccccc21 1583568902 BGYRBEVKIADKPE-FQEVSTJZSA-N 434.540 4.643 30 10 IJEE COC(=O)N1CCC(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)CC1 1585241530 GZVMSXOIPSCMPB-UHFFFAOYSA-N 429.929 4.780 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 1585640756 BHUSUZUCPOWWQV-INIZCTEOSA-N 443.469 4.649 30 10 IJEE C=CC(C)(C)CCNC(=O)c1cc(I)ccc1N1CCCCC1 1586954891 ZWYQOMRCZRKGDC-UHFFFAOYSA-N 426.342 4.614 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(C)(F)F)cc1 1587677988 NUZJKCONKAQFHS-NSISKUIASA-N 430.543 4.815 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 1588033443 XDQUHOGJBQUMLD-KURKYZTESA-N 443.371 4.712 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@H]1C(C)C 1588482811 WITQKZCEDRRYDE-QPPBQGQZSA-N 449.574 4.514 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccsc1)N(CC)CC 1589197793 IYQCNEKUVATGDF-RCZVLFRGSA-N 448.640 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C)CC1 1589493769 IVPQQPVPFZTGHC-KNKQGSTJSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H](C)c1ccccc1 1589528246 DZMROQKFZBVSLI-UCFCWBNQSA-N 431.584 4.870 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]2CCC[C@@H]21 1593717305 CSQDSXANQXHZDN-XLIONFOSSA-N 430.980 4.969 30 10 IJEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(Cc2ccsc2)CC1 1594600082 HTCYARHSHDMEGG-UHFFFAOYSA-N 425.577 4.824 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)N(CC)CC 1594907319 SMIRBEXNPSISPH-CQSZACIVSA-N 440.817 4.714 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1CC1CC2(CCOCC2)C1 1595070682 JFKPCEHJNARAED-UHFFFAOYSA-N 438.616 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CCC)C1 1595149742 UQYYSTXYLBFIPQ-IBGZPJMESA-N 425.602 4.833 30 10 IJEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N(CC(C)C)C(C)C 1595845589 WOMAVSUJPBPUHB-UHFFFAOYSA-N 440.455 4.836 30 10 IJEE C=CCSCCn1c(N2CCC[C@H]2c2ccc(OC)c(OC)c2)nnc1C(C)(C)C 1595905359 IHUZUMGJQLQYFD-SFHVURJKSA-N 430.618 4.854 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1611027025 YOZOMSZXCLPHMM-MRXNPFEDSA-N 425.326 4.577 30 10 IJEE CC1(C)CCC[C@]1(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC#N)CC1 1611781706 ICOMSSQNWJZKPX-QHCPKHFHSA-N 427.980 4.670 30 10 IJEE Cc1ccoc1Cn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H](C)CC#N 1611878997 GVWCSMWYZGOUFF-ZDUSSCGKSA-N 432.297 4.535 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)Cc2csc(-c3ccc(Br)cc3)n2)c1 1615200490 CAQQIIWQWYIIIL-UHFFFAOYSA-N 440.366 4.624 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1ccccc1 1618597772 POJDTRFHUGTWAK-DFXYEROKSA-N 437.483 4.894 30 10 IJEE C=C(C)COc1cc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)ccc1OC 1620928112 DBLNDRMGZSZAPG-UHFFFAOYSA-N 444.597 4.745 30 10 IJEE C#CC[C@H](NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccccc1 1623027550 DDDYGXIQLBAZSR-DEOSSOPVSA-N 432.568 4.777 30 10 IJEE C#Cc1ccc(NC(=O)NCc2nc3cc(Br)ccc3n2CC)c(Cl)c1 1627814436 CNPQTHLEGCMJDL-UHFFFAOYSA-N 431.721 4.775 30 10 IJEE C=C[C@H](CC)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1628309538 KWDSPJZEKAPPFQ-CQSZACIVSA-N 437.359 4.791 30 10 IJEE N#CC1(CNC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CCOCC1 1628683386 ANQUFBGALUNCIP-LJQANCHMSA-N 436.943 4.573 30 10 IJEE C=CCC[C@H](NC(=O)N[C@H]1CCN(c2ncccc2F)C1)c1ccc(C(F)(F)F)cc1 1632892375 DLLUCVOZKDECIO-HKUYNNGSSA-N 436.453 4.825 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 1633662169 GPICKMJJJTXFNW-UZLBHIALSA-N 443.906 4.635 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 1638333493 GABCNAFKJOWDDJ-NVXWUHKLSA-N 437.378 4.771 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cc(F)ccc2C)nc2sc(C)c(C)c2c1=O 1640684428 ZNBLYVBMIIOHKF-UHFFFAOYSA-N 431.558 4.829 30 10 IJEE CCn1c(SCC(=O)[C@H](C#N)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640709443 FLSIHWUHGBYNET-RHSMWYFYSA-N 437.590 4.571 30 10 IJEE Cc1ccc(NC(=O)[C@@H](C)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(Cl)c1 1642940555 DOYCNVASHPHOTR-IIBYNOLFSA-N 431.367 4.511 30 10 IJEE C=CCCONC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1647929169 RZVXRTBWQNPAJI-IBGZPJMESA-N 434.536 4.662 30 10 IJEE N#Cc1c(NC(=O)CN2CCC(Cc3cccc(F)c3)CC2)sc2c1CCCCC2 1652293444 BCRWGTPAUHPRHM-UHFFFAOYSA-N 425.573 4.921 30 10 IJEE CCOC(=O)[C@@H](C)N(CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2)C1CC1 1654172368 BHUCEUYZMXJSBS-CVEARBPZSA-N 445.629 4.515 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)C(C)(C)C 1658830778 RARHASKVOMYWES-KXBFYZLASA-N 429.952 4.522 30 10 IJEE O=S(=O)(N[C@H](CCc1ccccc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1F 1663074412 DRCGEMJJIMJXQM-OAHLLOKOSA-N 429.357 4.687 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc1 1668388892 AIPHHVPZQUXEPA-ZMUKGBGYSA-N 439.600 4.684 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](Cc2cccnc2)C2CCCC2)cc1 1668389934 XKYMJKDKWUPRHJ-DEOSSOPVSA-N 432.568 4.819 30 10 IJEE C#C[C@H](NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)OC)c1ccc(F)cc1 1671267821 FCQOMNOVLPSRNW-NRFANRHFSA-N 432.451 4.687 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1671514950 FWTGQGBBFXHEKJ-XMMPIXPASA-N 448.629 4.607 30 10 IJEE C=C(C)CN1CCC(NC(=O)NCC2(c3cccc(Br)c3)CCCC2)CC1 1678668391 MWMRNBNCUOIVCB-UHFFFAOYSA-N 434.422 4.601 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2ccc(N(C)C)cc2)CC1)c1ccc(Br)cc1 1683507163 AFWURXRNWGXASS-QFIPXVFZSA-N 440.385 4.779 30 10 IJEE C#C[C@@H](NC(=O)N1CCC(Oc2ccc(C)cc2)CC1)c1ccc(Br)cc1 1683681128 LFEQNZDXOTZJOR-OAQYLSRUSA-N 427.342 4.685 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1CCC(OC)CC1 1689835246 JDIRNDUPJMZGIF-ZJRDLVKKSA-N 426.630 4.939 30 10 IJEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1690048395 ISPFCQFDSFYZET-NOZRDPDXSA-N 432.612 4.806 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCc1cccc(F)c1 1690064918 CZJOXBOYLODEEM-UHFFFAOYSA-N 433.350 4.610 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1occc1C 1690088736 VEARSMFTGMBIEK-UHFFFAOYSA-N 435.890 4.722 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC1CC1 1690241353 RERCFIMETBKAMG-UWJYYQICSA-N 430.980 4.825 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](SCC)C1 1690273075 DFEJOBGYOUNIAW-HXUWFJFHSA-N 427.618 4.835 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CCOC)CC1CC1 1690334221 HVAQLZWXJMPWNU-UHFFFAOYSA-N 439.785 4.631 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCCCO)CC1 1690415351 IQJGGIVZAQKEDS-UHFFFAOYSA-N 439.387 4.729 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690457166 SCIWDEAHOUEJGB-ZWKOTPCHSA-N 446.437 4.983 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1cnn(C)c1C 1690475496 UUHIJHPWQZQLQI-UHFFFAOYSA-N 443.393 4.661 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CCN(C)c1ccccc1 1690578443 XWSLMWSPLMVAKT-QFIPXVFZSA-N 437.613 4.910 30 10 IJEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1cccc(C)c1 1690752543 LOIPUYGIURSENB-FKBYEOEOSA-N 442.629 4.571 30 10 IJEE COCC1(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@H](C)C#N)CCCCC1 1697803646 GCKSNFTUXRJVJX-LJQANCHMSA-N 446.599 4.995 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)nc3ccccc23)n1CCCCOC(C)C 1705669615 QXPGCSWKIGPUMK-AREMUKBSSA-N 431.584 4.999 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)CCc1cccs1 1705699374 GFZWLAJRTRATBD-DENIHFKCSA-N 437.613 4.760 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN1CCCCC1 1705713955 YWZKVPPXMXWZQW-UHFFFAOYSA-N 432.410 4.596 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC2(O)CCC2)CC1 1705778012 XVDGVIGQTGBQLA-UHFFFAOYSA-N 445.405 4.724 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CC(C)C)C1CCCC1)c1ccccc1 1705797416 WAYBAEOXDLWNEP-JTHBVZDNSA-N 435.616 4.994 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 1705864035 OUFQSUVTTTWODW-HSZRJFAPSA-N 437.613 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1OCC[C@H]1C 1705867955 YLEQYIKZFRDYEC-DYESRHJHSA-N 442.560 4.675 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(c2nc(C)no2)CC1 1705940805 PPIBCYORISSMJO-UHFFFAOYSA-N 444.992 4.593 30 10 IJEE C=CCSCCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705947906 BQKJARWHDBFHOE-OAQYLSRUSA-N 428.646 4.624 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCOC1CCCCCC1 1711085291 BSQQMNRZRMJKCK-UHFFFAOYSA-N 444.583 4.511 30 10 IJEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCC2(F)F)C1 1711594221 DHSHYSGCUSFBFW-UGKGYDQZSA-N 429.515 4.648 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)c1cccs1 1722289417 PEQXLUUYKDZNRX-GOSISDBHSA-N 430.581 4.628 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1CCN(CC)CC1 1722405886 RTXLVLFUCXQFQY-IBGZPJMESA-N 439.673 4.713 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@H](C)C1 1722454726 DDDVZSSYEKVQDU-DOTOQJQBSA-N 447.446 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CC1(COC)CCCCC1 1722473175 RDLVXFKDPORREH-XMMPIXPASA-N 442.554 4.736 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)CCOc1ccc(C)cc1 1722487414 PXTXHQNDFNDIAW-UHFFFAOYSA-N 447.402 4.663 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCSCC1 1722496221 WFOXQBISKDYNJG-FPOVZHCZSA-N 426.630 4.777 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1722563095 SRRRHQKSIVAVEX-GOSISDBHSA-N 429.012 4.660 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)c2ncc(C)s2)CC1 1722579563 QXMSPEPXMXLMRT-QGZVFWFLSA-N 448.596 4.700 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](COC)C1 1722585307 VPRSZXJUBFSOTQ-LJQANCHMSA-N 434.588 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722585780 JEQNFDZHYIQSIQ-KDURUIRLSA-N 446.039 4.746 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C)c1ccccc1 1722597364 SMLJOOLNABTLNX-LEWJYISDSA-N 433.604 4.697 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1CCC=C(C)C 1722655966 NSFCMEXQGXDBKS-UHFFFAOYSA-N 429.572 4.560 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC2CCCC2)n1Cc1nccc(C(F)F)n1 1722659059 PURFVIFNXVCGSQ-UHFFFAOYSA-N 438.526 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1CCOC[C@@H]1C 1722667723 IDADYPPPDYXIQK-FHWLQOOXSA-N 426.630 4.982 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(F)(F)F 1722676787 LFVKNRSAPXMSLA-MRXNPFEDSA-N 426.483 4.589 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@](C)(O)CCC)C1 1722717132 FACAAOQNVLRNLR-OFVILXPXSA-N 426.605 4.575 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1722738322 GDZMFGGYWKTUCW-IAGOWNOFSA-N 435.663 4.616 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1C[C@H]1CCCSC1 1740543537 QVPZPAGYEFNTTH-RTBURBONSA-N 442.629 4.734 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCN1CCCC[C@@H]1CC 1740661647 GZFCPJORIPIDHW-GOTSBHOMSA-N 437.632 4.759 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1C(F)(F)C12CCC2 1740664595 WNWAZGGZFBCQGG-CYBMUJFWSA-N 441.345 4.664 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Br)nnc1N(C)C1CCC1 1740755777 LWQOOKCOWAIGEM-KXBFYZLASA-N 431.378 4.678 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1740764855 KODFVFHKVDVDHJ-DOTOQJQBSA-N 429.531 4.893 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc2c(c1)COCC2 1740777234 RGFDGQMGHGGXQH-DHIUTWEWSA-N 438.616 4.720 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](CCOC)C1 1740785577 NZCOVFYXNSLZPH-OAHLLOKOSA-N 425.360 4.603 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C)[C@@H]1C 1740788368 UGCIXNFXBNEFQM-CVEARBPZSA-N 449.393 4.544 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCC[C@@H]2C)CC1 1740842991 UAUYFLVENYQGIC-MDNUFGMLSA-N 443.680 4.864 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740850559 LZFOHICROILLSQ-IEBWSBKVSA-N 436.522 4.822 30 10 IJEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](c1ccsc1)N(C)C)C1CC1 1740911886 IWWFSGBEXYINOK-OAQYLSRUSA-N 443.567 4.666 30 10 IJEE C=CCSCCn1c(Cc2ccccc2C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1741001954 DPYKLCPZDQOGGY-SFHVURJKSA-N 430.528 4.617 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@](C)(O)CCC 1748639134 BYHXNMVXDXWHDL-IXFSTUDKSA-N 432.996 4.697 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C1CC(C(C)(C)C)C1 1748663911 BFUPVBWAWIDQSF-VIQWUECVSA-N 446.599 4.520 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCOC1CCCCCC1 1748775077 DGZSPASHUAQCRE-UHFFFAOYSA-N 437.407 4.578 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1nccnc1C 1748913412 VCDXESDKSZVNHH-UHFFFAOYSA-N 436.972 4.614 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1ccc(OC)c(OC(F)F)c1 1749064918 OALFRIACYDZUCI-HSZRJFAPSA-N 430.499 4.586 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCC(F)(F)CC2)CC1 1749293554 BLGYAIHNHWPCFY-UHFFFAOYSA-N 432.515 4.944 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCCC2)C1 1749357500 SEPAVONFCPFGNP-UHFFFAOYSA-N 440.588 4.714 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC=C(c2ccccc2)C1 1749376827 GIVZLAPKGYJTSU-GOTSBHOMSA-N 436.600 4.898 30 10 IJEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1749391261 RVBKTMMYJDNVPQ-UHFFFAOYSA-N 434.588 4.732 30 10 IJEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCC[C@H]1Cc1cccs1 1749452215 RXMLDGSGCZZNRL-SFHVURJKSA-N 426.561 4.950 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCOc1ncccc1Cl 1749465920 JAQUELBEOPGJQW-GOSISDBHSA-N 441.963 4.785 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CC(C)C)n1CCc1nccc(C(F)(F)F)n1 1749537550 JXMJJFLLQIWKKA-UHFFFAOYSA-N 444.505 4.721 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1Cc1cc(Br)ccc1OC 1749574428 UTIBTFYDNIVYLB-IBGZPJMESA-N 447.377 4.518 30 10 IJEE N#C[C@]1(F)CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCS2)C1 1750378025 DTLDFJAUAPOQIZ-VQIMIIECSA-N 437.997 4.561 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 1760130620 KHWCCVDEPAUAHB-AZUAARDMSA-N 430.980 4.717 30 10 IJEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1760158397 MTMJGQJMNKSYDW-GOSISDBHSA-N 448.596 4.667 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1760198107 XOZDHSWLUPDWJD-OFNKIYASSA-N 430.552 4.605 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCc1csc(-c2ccccc2)n1 1760214051 ZZZIWDQVJIRYTI-UHFFFAOYSA-N 441.560 4.676 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccsc1 1760321027 ATMSBYIJYVQDFL-HTAPYJJXSA-N 444.551 4.826 30 10 IJEE C=CC1CCN(c2nnc(C3CCC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 1760401955 QQJIJSFNDUVIGH-UHFFFAOYSA-N 425.543 4.612 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1760403056 DWCFXZGMHLPYNI-MRXNPFEDSA-N 441.576 4.643 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1760412186 WXXDNYRIUVYESD-UHFFFAOYSA-N 449.643 4.819 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1760434822 NUSPXCGOOOFFKE-KRWDZBQOSA-N 447.986 4.837 30 10 IJEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(N2CCCCC2)CC1 1760439297 BDYCVQUGEKJLGZ-UHFFFAOYSA-N 429.559 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1ncccc1N(C)C 1760454815 CZLKXVUIWFKSPW-UHFFFAOYSA-N 445.596 4.509 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1Cc1ccc(N2CCCCCC2)nc1 1760483112 FCQSTOUHVJDRAG-UHFFFAOYSA-N 434.563 4.742 30 10 IJEE C=CCn1c(COc2ccc(Br)cc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1760512684 ZMTZLUYKCTUTSZ-KRWDZBQOSA-N 431.378 4.965 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC(Cn3cccn3)CC2)cc1 1760529612 CXATWTCTZVPHMB-FQEVSTJZSA-N 434.588 4.518 30 10 IJEE CC(C)(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCCCCC2)nc1 1761541962 FGKLYCRASKNHHV-VWLOTQADSA-N 435.620 4.529 30 10 IJEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1772543356 IFGPXODEDQHXNR-KRWDZBQOSA-N 441.576 4.975 30 10 IJEE CC(=O)OCCn1nc(C(=O)Nc2ccccc2C#N)c(Cl)c1-c1ccc(Cl)cc1 1859387987 KYZWOSZIEJGEDW-UHFFFAOYSA-N 443.290 4.544 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc(Cl)cc1 1861929819 HYOKBAQKMIWJKA-NRFANRHFSA-N 428.985 4.572 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C 1862406515 ROALJFKXDPBKHJ-LJQANCHMSA-N 431.410 4.763 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCN(C)C)[C@@H]2c2ccccc2Cl)cc1 1862477101 SDYNYHYFSPXGGY-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1O 1862480588 JZFQBCZEIWHCBW-DEOSSOPVSA-N 443.499 4.796 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@@H]2c2ccc(F)cc2F)c1 1862561509 VKZXQMNHEORTBE-OAQYLSRUSA-N 426.463 4.848 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCCCCO)[C@@H]2c2cccc(F)c2)cc1 1862615679 LXCPTYOZXYBAAU-JOCHJYFZSA-N 439.527 4.864 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2cccc(O)c2)cc1F 1862639206 SUXSHTRHQMMVBH-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2nc3ccccc3[nH]2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 1862673779 OGFUFLJQSVHBSD-QFIPXVFZSA-N 445.425 4.620 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862676834 SAQZJHRTLCKLHB-FQEVSTJZSA-N 426.444 4.893 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 1862677919 MACHFUVNVNHBTG-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccc(C(=O)O)cc1 1862715267 SXHYJYZVYSMCQR-QRQCRPRQSA-N 429.472 4.915 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2cc(C)ccc2C)C1=O 1863021016 RRCRCFLBHJULRZ-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE CC(C)(C)c1cccc2c(O)cc(C(=O)Nc3c(C#N)cnn3-c3ccccc3F)nc12 1866518487 DZVGZESWFMZZHC-UHFFFAOYSA-N 429.455 4.687 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 1870140374 NZDKOYNJVLLBDK-UHFFFAOYSA-N 432.572 4.530 30 10 IJEE CCN(CC)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)cc2Cl)c(C)c1 1870148128 WPFKPQJEVXGZJP-UHFFFAOYSA-N 443.338 4.853 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CSCCO 1870275423 WDKCDHJJPVVTQZ-UHFFFAOYSA-N 441.634 4.545 30 10 IJEE COc1ccccc1/C=C1\Oc2cc(OCC(=O)Nc3ccc(C(C)=O)cc3)ccc2C1=O 1871420618 GJMQKFFBWZZUBW-CFRMEGHHSA-N 443.455 4.532 30 10 IJEE CCOc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 1871452362 MSDVKHFMXSCSSN-UUYOSTAYSA-N 433.460 4.929 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)c(C)c1 1871988189 LAAKBYCBHYUVRX-ZHRRBRCNSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)CCC 1872200174 BYOKAPAQHFEASV-HSZRJFAPSA-N 444.597 4.601 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C)S(=O)(=O)c1cccs1 1872489327 WXUOCHXMHCKGRI-LJQANCHMSA-N 441.018 4.940 30 10 IJEE N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(Br)c2)cs1 1872763055 CUMLMYSSYLFPEV-OAHLLOKOSA-N 428.267 4.971 30 10 IJEE C=CCN(CC=C)c1nc(Nc2ccc(NC(C)=O)cc2)c2cnn(-c3ccccc3)c2n1 1873481865 UKPXMFQOKONSDJ-UHFFFAOYSA-N 439.523 4.696 30 10 IJEE COc1ccc(-c2nc(C3=C(N)N(c4ccc(Cl)cc4)CC3=O)sc2C)c(OC)c1 1873529877 OUVYGUITOXIVGT-UHFFFAOYSA-N 441.940 4.506 30 10 IJEE COc1ccc(CCc2nnc(SCc3cccc(C)c3)n2/N=C/c2ccncc2)cc1 1874306482 ZLZYMMIXHXPVDL-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCCSc1nnc(CCCOc2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 1874317893 PTYXORKGDOCDBC-CJLVFECKSA-N 425.514 4.582 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(Cl)cc2)n1/N=C/c1cccc(OC)c1O 1874342240 GNAWKNYSSHNXEF-FSJBWODESA-N 428.945 4.787 30 10 IJEE C=C(C)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874447118 SYFGDENKAMUUEQ-XAOCGEIJSA-N 448.548 4.899 30 10 IJEE COc1ccc(Cc2nnc(S)n2/N=C/c2ccc(OCc3ccccc3C)cc2)cc1 1874562785 QXWAWBXKQQSCHQ-WGOQTCKBSA-N 444.560 4.936 30 10 IJEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC)cc1OCC(=O)NCc1ccccc1 1874596571 ZJGBIMOSFIAOTJ-ZRDIBKRKSA-N 445.515 4.604 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)C3CCCC3)c([N+](=O)[O-])c2)cc1OC 1875099490 KZZHSGIWZJSCES-JXMROGBWSA-N 425.437 4.604 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] 1875124880 HEMQNWSRSRMYTL-UXBLZVDNSA-N 439.370 4.997 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNc2cc(Br)c(C#N)cc2F)C1(C)C 1885859400 PPILDKXCHLYWEW-WBMJQRKESA-N 426.330 4.811 30 10 IJEE Cc1c(C(=O)NCC#CCN(C(C)C)C(C)C)c(-c2ccccc2)nn1-c1ccccc1 1891373696 CKNCRKJYLXODJD-UHFFFAOYSA-N 428.580 4.700 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@@]12[C@H]3CC[C@@H](C[C@H]31)[C@H]2NC(=O)OC(C)(C)C 1910249938 GSNDWHQMXYBOGK-FGQCFIHPSA-N 426.601 4.677 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1922135249 YULGMXGPYQUREQ-BJKOFHAPSA-N 441.568 4.621 30 10 IJEE C=CCC1(NCc2cccc(NC(=O)C(F)(F)F)c2)CCN(C(=O)OC(C)(C)C)CC1 1924553528 HFGJWOVSGUJTKS-UHFFFAOYSA-N 441.494 4.623 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1c(Cl)ccc(Br)c1F 2058347579 UEDIOGTULQFZBL-BBRMVZONSA-N 433.749 4.809 30 10 IJEE C=C(I)COc1c(Br)cc(Cl)cc1C[C@H](N)CC 2077481811 AHBYBBGLWFOCRE-LLVKDONJSA-N 444.538 4.710 30 10 IJEE Cc1nn(-c2ccccc2)c2c1C(=O)/C(=C/N=c1[nH]c3ccccc3[nH]1)[C@H](c1ccccc1)C2 2080385340 AZNROBHRTNPXAS-LXDMNWQESA-N 445.526 4.998 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1Nc1cc(Br)cc(C#N)c1 2162300791 JBKVIOYPCRXEPD-RTBURBONSA-N 428.330 4.923 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](C(C)(C)C)C1 2174769823 NYLRPNMEHSKMKZ-QGZVFWFLSA-N 440.357 4.932 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CCCc3c(Br)cccc32)C1 2183005725 AYGHXPHMYYGBQH-UHFFFAOYSA-N 435.362 4.589 30 10 IJEE CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CCC12CCC2 2205755431 QKPXNIRWFDDZSF-MRXNPFEDSA-N 434.334 4.581 30 10 IJEE CC(C)(C)OC(=O)NC1([C@@H](O)C#Cc2ccccc2Br)CC(C2CCC2)C1 2235726501 FJBULOYVCCCGGY-OZWAEMERSA-N 434.374 4.635 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)Cc1cccc(NC(=O)OC(C)(C)C)c1 2235735980 VYGFIQSOXMMZLC-SFHVURJKSA-N 429.358 4.978 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2235745728 FDDJNXGULQVELG-IMFGXOCKSA-N 435.406 4.814 30 10 IJEE C=CCC1([C@@H](NCC)c2ccc(Br)cc2OC)CN(C(=O)OC(C)(C)C)C1 2239713969 LRYSNRSFZZUNBF-SFHVURJKSA-N 439.394 4.922 30 10 IJEE N#Cc1cc2c(nc1Nc1ccc(Br)cc1I)CCC2 2240324917 HAHVSGZCFQNPFU-UHFFFAOYSA-N 440.082 4.553 30 10 IJEE C#Cc1ccccc1CNC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243916091 KJVODYZEFDTZEE-UHFFFAOYSA-N 438.527 4.603 30 10 IJEE CN(Cc1cccc(I)c1)c1cc(Br)cc(C#N)c1 2265531183 USOJJZLEPBYJCV-UHFFFAOYSA-N 427.083 4.562 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(Cc1ccccc1)Cc1cccs1 2269714061 XHLOJUNNJMQSBT-UHFFFAOYSA-N 448.397 4.593 30 10 IJEE C=CC[C@]1(COc2nnc(Br)c(C)c2C)CCCN1C(=O)OC(C)(C)C 2272129156 RXAPCGQDQOMLQH-LJQANCHMSA-N 426.355 4.581 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([C@@H](O)C#Cc3ccc(Br)cc3)C[C@@H]21 2296284066 MXNMSVQDQVGEJL-ZULIPRJHSA-N 434.374 4.587 30 10 IJEE CCCCCOc1ccccc1C=Nn1c(S)nnc1COc1cc(F)ccc1F 2322145834 IJWTXLDXPPLHGG-UHFFFAOYSA-N 432.496 4.875 30 10 IJEE COc1cccc(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)c1OC 2322193463 YVNPWCIMJZJPOZ-UHFFFAOYSA-N 449.528 4.776 30 10 IJEE Cc1ccc(-n2ncc(NN=Cc3ccccc3OC(C)C)c(Br)c2=O)cc1 2322634589 NDTUVKOKRZJUQV-UHFFFAOYSA-N 441.329 4.537 30 10 IJEE COc1ccc(CCC(=O)Oc2ccc3c(c2C)OC(=Cc2cccnc2)C3=O)cc1OC 2323097805 CGDZZPIDJVLRKW-UHFFFAOYSA-N 445.471 4.562 30 10 IJEE Cc1cccc(NC(=O)COc2ccc(C=CC(=O)c3ccc4c(c3)OCCO4)cc2)c1C 2324035398 TUCJHRIAPJXSDX-UHFFFAOYSA-N 443.499 4.988 30 10 IJEE O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCCN3CCCCC3)ccc21 2325701220 SYBWRAOPPWFROG-UHFFFAOYSA-N 428.326 4.930 30 10 IJEE Cc1ccc(CSc2nnc([C@@H]3CC(=O)N(C(C)C)C3)n2N=Cc2cccc(C)c2)cc1 2328988663 XIJOAYYZNCKXAW-JOCHJYFZSA-N 447.608 4.794 30 10 IJEE C=CCSc1nnc(-c2ccccc2Cl)n1N=Cc1cc(OC)c(OC)cc1OC 2329597657 FWIGSQDZHXSSCB-UHFFFAOYSA-N 444.944 4.785 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3cccs3)n2N=Cc2ccco2)cc1 2329652779 HVKMHHVYXDTLFF-UHFFFAOYSA-N 439.522 4.801 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)n2N=Cc2cccs2)cc1 2329936398 IMUVFVQMIZRDML-UHFFFAOYSA-N 447.589 4.852 30 10 IJEE Cn1cc(OCc2ccccc2)c(=O)cc1CON=C(c1ccc2c(c1)CCC2)C1CC1 2330363546 NIRXEKHOLUBJAH-UHFFFAOYSA-N 428.532 4.784 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2N=Cc2ccc(O)cc2)o1 2330667022 JNNIFTSPQPYPFX-UHFFFAOYSA-N 448.504 4.595 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccccc3OC)c(OC)c2)cc1OC 2330736106 SVVBSNYXNWCGEU-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccc(F)cc1F 2331084399 PVGVCNNNIUVBJR-UHFFFAOYSA-N 449.571 4.837 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2N=Cc2ccc(F)cc2)c1C 2331673790 IJTRKMZZJWTZJO-UHFFFAOYSA-N 425.533 4.770 30 10 IJEE CN(CC(C)(C)N(C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2339534302 DQSVZEISBTXFJX-CCEZHUSRSA-N 445.413 4.808 30 10 IJEE C[C@@H](SCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)[C@@H]1CCCO1 2349807598 IYNHTCMIYGWUBK-DYVFJYSZSA-N 427.213 4.549 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@]2(N)C#Cc1cccc(Br)c1 2380877131 YTBPEXXAGVVFRA-DEVSCXNHSA-N 433.390 4.602 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)N 2381191845 NLNOLTPCVGNZJO-CALQCPNCSA-N 434.378 4.990 30 10 IJEE C=CCNC(=O)c1ccccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl 13996157 KCHDGJOYOXCMKT-UHFFFAOYSA-N 429.954 4.597 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1 21241172 OWWJPCXNYRJOKC-FPOVZHCZSA-N 449.547 4.885 30 10 IJEE COc1ccc(N/C(=N/C(=O)c2cccnc2)NCCc2c[nH]c3ccccc23)cc1Cl 32943401 KVWLATOEDNIJNN-UHFFFAOYSA-N 447.926 4.666 30 10 IJEE Cc1cccc(NC(=O)CN2C(=O)CS/C2=C/C(=O)c2ccc(C(C)(C)C)cc2)c1C 96515378 CKEPPTIVPLKQIP-ZMOGYAJESA-N 436.577 4.839 30 10 IJEE CSc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 102610112 AESCCMOHEQYODF-SCDSTIRESA-N 441.534 4.603 30 10 IJEE CCCOc1cccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 102713452 IONJKZFYHXXRPP-VFJWVMJUSA-N 432.476 4.707 30 10 IJEE N#Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F 107567825 QUXMPDFYHUVWCK-QHHAFSJGSA-N 425.750 4.713 30 10 IJEE O=C(/C=C/Nc1ccc(OC(F)(F)F)cc1)c1ccc(I)cc1 109405931 YVRNJTXNJRVSLT-MDZDMXLPSA-N 433.167 4.998 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccc(OC)cc2)c1 169921194 VLQUDRXCPPVYLJ-JOCHJYFZSA-N 449.528 4.934 30 10 IJEE CCOc1cc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 169939055 GZFWUYDYNMJWTQ-QFIPXVFZSA-N 442.968 4.844 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccn2)cc1 169991839 HWNFNTVZUONOQB-QFIPXVFZSA-N 443.459 4.896 30 10 IJEE CC(=O)Nc1cccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccco2)c1 170095678 WMKIKBOSPZGTBS-JOCHJYFZSA-N 430.460 4.638 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1sccc1C 170107750 ZEJLDNQCLAZIQD-FQEVSTJZSA-N 443.565 4.767 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)c1 170166301 SJDMOVJGTLUZAJ-LJQANCHMSA-N 449.956 4.804 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@@H]2c2ccccc2)cc1 170225030 CIYRARNVASORPD-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2cccc(O)c2)c(OC)c1 170259487 SPUCYKQCMSCGPF-QHCPKHFHSA-N 445.471 4.501 30 10 IJEE COc1cccc([C@H]2C(C(=O)CC(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)c1 170432513 WIJBFZVHDCMYPO-QFIPXVFZSA-N 433.508 4.704 30 10 IJEE O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 252642897 ZQOYMBBFBRZPEW-OAQYLSRUSA-N 433.508 4.986 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N(C3CC3)[C@H](C)c3cccc(C(F)(F)F)c3)cc2C1=O 502857508 GFKBHVWKDDDNMJ-CQSZACIVSA-N 442.437 4.853 30 10 IJEE C=CCSCCNC(=O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 513619481 NBORTVLBNFCQAX-UHFFFAOYSA-N 431.970 4.591 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cc(F)ccc3F)=C(Sc3ccccc3)C2=O)c1 526660835 NQFYIFSUTPTDAV-UHFFFAOYSA-N 433.439 4.826 30 10 IJEE CCCc1nnc(SCc2cccc(F)c2)n1/N=C\c1cccc(OCC)c1OC 526825513 XQZWJPFFLJDYAP-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE COC(=O)c1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1Br 548737500 WSULBRMPMZLMRC-MJGOQNOKSA-N 442.313 4.539 30 10 IJEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 555438926 AXBUZJXZIPSAQN-MRXNPFEDSA-N 425.533 4.797 30 10 IJEE N#Cc1cccc(C(=O)N2CCC(Cc3ccc(COCc4ccncc4)cc3)CC2)c1 575552376 SGZYTUROUBRNSI-UHFFFAOYSA-N 425.532 4.765 30 10 IJEE CCCOc1ccccc1/C=C/C(=O)NC1CCC(OC(=O)c2cccc(C#N)c2)CC1 586503417 VKNBFXULLLNPBY-XNTDXEJSSA-N 432.520 4.645 30 10 IJEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 609723791 BSQPMQYXAXJLNV-NRFANRHFSA-N 431.879 4.539 30 10 IJEE N#Cc1cccc(-c2nnc(N3CC[C@H](COCc4ccccc4)C3)n2Cc2ccccc2)c1 619820361 UCAVUDQWVVYCKO-VWLOTQADSA-N 449.558 4.908 30 10 IJEE C[C@H]1[C@H]2CC[C@@H](C[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 709339840 CXKYEDJSEAAMQU-NRVIRDBHSA-N 448.568 4.994 30 10 IJEE Cc1ccc(C)c(Oc2cccc(Cl)c2CNCCN/C(O)=C2/N=CC=CC2=O)c1C 734843730 BNSYAENEOJIGMM-GYHWCHFESA-N 439.943 4.674 30 10 IJEE O=C(NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[nH]c2cccc(F)c12 761813810 TWEKNIFZTMZSBM-KRWDZBQOSA-N 434.311 4.506 30 10 IJEE COc1ccc(CN[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1C#N 773084486 SNDKOVGITRGQNZ-LVXARBLLSA-N 449.551 4.560 30 10 IJEE C[C@H](CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)c1ccc(Cl)cc1 777215182 HWZQHUYTLZBFBE-CHWSQXEVSA-N 444.940 4.541 30 10 IJEE C#CCN(C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1)C1CCCC1 810172323 JWQHOGIWNXYMGI-KRWDZBQOSA-N 441.963 4.763 30 10 IJEE N#Cc1ccccc1NC(=S)/C(=C(/O)c1ccc(Br)cc1)[n+]1ccccc1 917613167 MAIWWBYTPDCCGJ-UHFFFAOYSA-O 437.342 4.932 30 10 IJEE COc1ccc(N=C2S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2C)cc1Cl 1083903933 ZCCGOIRAYBHZQJ-INIZCTEOSA-N 438.336 4.592 30 10 IJEE O=C1CCCC2=C1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCCC1=O)N2c1ccc(F)cc1 1088648773 DOXKHSPUSBZXFI-UHFFFAOYSA-N 446.453 4.689 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnc(CC)s1)c1ccc2c(c1)OCCO2 1124426116 UBRMQHKJJFVORP-UHFFFAOYSA-N 436.533 4.889 30 10 IJEE C=CCC1(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(OCC)cc3)cc2)CCCC1 1124457297 AZCFXSNRBAKVSM-UHFFFAOYSA-N 443.565 4.952 30 10 IJEE C=CCc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cc(OC)c1OC 1128749607 STNGUKPNXHDBCO-MAUKXSAKSA-N 434.305 4.620 30 10 IJEE C#CC[C@@]1(C(=O)N(Cc2ccccc2Cl)CC2CC2)CCCN1C(=O)OC(C)(C)C 1128904077 MLBFVEMIUFZAFR-DEOSSOPVSA-N 430.976 4.872 30 10 IJEE N#Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1130934197 GOVQERYBVQOZOF-UHFFFAOYSA-N 446.923 4.585 30 10 IJEE C=CCCC[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccccc1 1133168006 KNNAPFMCWSJDJV-FQEVSTJZSA-N 429.358 4.783 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1sccc1OC)c1ccc2c(c1)OCCO2 1136698098 UGQMHXDCWYWTSY-UHFFFAOYSA-N 437.517 4.940 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1OC(F)F 1188856643 AVQNFGCLXTUYGU-MRVPVSSYSA-N 431.329 4.625 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)cc1 1206745833 SUKMUZNWYLOWIF-UHFFFAOYSA-N 428.905 4.810 30 10 IJEE C#C[C@@H](NS(=O)(=O)c1cc(Br)sc1Cl)c1ccc(Cl)cc1F 1211815195 FBIGNUBQHWMEFG-SNVBAGLBSA-N 443.146 4.609 30 10 IJEE C#Cc1cccc(N(C)C(=O)Nc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)c1 1218689875 OHOSQFYDEIRNPI-UHFFFAOYSA-N 433.533 4.754 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N(C)CC(=O)Nc1ccccc1CC 1219083980 CPIAGFASPMRNHH-UHFFFAOYSA-N 446.345 4.679 30 10 IJEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C)c1ccc(Cl)cc1F 1229619326 FPVSKAKKRNUZDX-DHIUTWEWSA-N 429.967 4.954 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)c1 1264784758 JTTSLYYLKJLSGJ-MRXNPFEDSA-N 448.972 4.578 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc2c(s1)CCCC2 1286297525 XCAUXSMHUWUQJS-MRXNPFEDSA-N 440.016 4.558 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1cc(Cl)ccn1 1286357498 WNPBBLVJCJSCGT-UHFFFAOYSA-N 430.339 4.609 30 10 IJEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1CCc1ccc(Cl)s1 1286432796 YHNQKRZGDYYFNL-UHFFFAOYSA-N 437.012 4.874 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCCC[C@H]1C 1286524726 OBZRZGXTSHCSKL-CJFMBICVSA-N 440.035 4.779 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286547904 QPKRVVXDWPNZGH-KEYYUXOJSA-N 443.539 4.885 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)c1ccccc1 1286584950 WWOOJJIBTBVAQB-INIZCTEOSA-N 428.378 4.862 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccnc2)C(C)C)CC1 1286650261 ZYIRYKNSOBKJGA-DEOSSOPVSA-N 442.567 4.720 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OC)C1)c1ccccc1 1286677767 JGVUOAZSJBAVPM-SFTDATJTSA-N 437.975 4.969 30 10 IJEE C=CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1286678542 ZBNKJWLUGCQJFR-GGAORHGYSA-N 433.600 4.895 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCO[C@H](C)C1 1287602960 HTFYCHSGIIYNBA-FGZHOGPDSA-N 448.615 4.862 30 10 IJEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(OC(F)F)cc2)o1 1289570439 FQSHLWZKCGQZGB-UHFFFAOYSA-N 427.455 4.626 30 10 IJEE CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nc(C(F)(F)F)cs2)CC1 1291153466 HFSRWAPJYBIZJJ-UHFFFAOYSA-N 446.502 4.771 30 10 IJEE C#Cc1cccc(N(C)C(=O)C[C@@H](Cc2cc(F)c(F)cc2F)NC(=O)OC(C)(C)C)c1 1292929898 LZZYDUVLBGRFPO-QGZVFWFLSA-N 446.469 4.574 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(Br)cc1 1297122081 KUMLCNWPSHKCEJ-PBHICJAKSA-N 425.367 4.876 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cccc(NC(C)=O)c1 1300284112 PPEFHUGQRGIMKJ-IRXDYDNUSA-N 447.608 4.596 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1300372791 LCJOEBSPNGZXPP-QFIPXVFZSA-N 437.657 4.747 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCO[C@H]1CCCC[C@H]1C 1300564607 GIKXJSLCMWCHQC-GCJKJVERSA-N 442.966 4.796 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1300881794 RDCGSMLCSFSBBQ-IIBYNOLFSA-N 441.938 4.750 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 1301106873 XMVGHIAKVDNLIT-HSZRJFAPSA-N 437.632 4.824 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1301141726 QCPAFBUTGBXHQB-LJQANCHMSA-N 449.578 4.582 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CCC)C1 1301141966 UKKOIWALFXXTGI-LJQANCHMSA-N 428.577 4.570 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCc1c(C)cccc1C 1301359962 SLCZLXHUEXOYHV-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2F)n1Cc1nnc(CC)s1 1301360035 UWKRGYVLFYHKMG-UHFFFAOYSA-N 440.573 4.801 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCC[C@@H](C)C1 1301362054 ACHIETBQTSTNRS-WOJBJXKFSA-N 443.661 4.547 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCCOC1 1301405179 AXJYGFGGZOMLTC-GOSISDBHSA-N 426.948 4.853 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCCC[C@H](C)C1 1301531725 VSAQNCHNHCFUPK-SFHVURJKSA-N 437.613 4.873 30 10 IJEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](SCC)C1 1301535533 LURYKKSLWHLVGX-RBBKRZOGSA-N 442.629 4.855 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1301618712 WNOATSBPUCPIOJ-NRFANRHFSA-N 439.673 4.641 30 10 IJEE C=C(C)C[C@H](CO)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 1303046258 KNJMJEOUEMLNKF-UOKXEKBWSA-N 427.429 4.552 30 10 IJEE Cc1cccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCC(F)(F)C2)c1 1304503464 FBLRXHZJQCMXTQ-IBGZPJMESA-N 429.515 4.731 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)[C@H](C)CC)nc2cc(-c3ccccc3)sc2c1=O 1307274890 XPAJDIPQSOMBQZ-RDTXWAMCSA-N 428.579 4.991 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccc(Br)cc2C#N)C1 1308022760 RGFUZYDUCCLVFY-APWZRJJASA-N 434.378 4.542 30 10 IJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1310000960 LJFLWPKCWROTSG-KKXBDNRESA-N 433.618 4.656 30 10 IJEE CCOC(=O)C[C@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(OC)c1 1310292492 GJJDKXJUIFLCEK-UZLBHIALSA-N 441.553 4.763 30 10 IJEE C=CCC[C@@H](NC(=O)N(CCOC)CC1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 1312344129 VSAVRPXLFDCLKV-OAQYLSRUSA-N 441.538 4.713 30 10 IJEE C=CCn1cc(CNC(=O)N(C)Cc2cc(Cl)ccc2Oc2ccc(Cl)cc2)nn1 1312898373 MUMZMKULRGREEW-UHFFFAOYSA-N 446.338 4.905 30 10 IJEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1350614841 ADAHMEMEVAULPH-UUOWRZLLSA-N 426.495 4.783 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1nc(-c2ccccc2)c(C(=O)OCC)s1 1351052479 YROHVCQNGWAZHU-UHFFFAOYSA-N 438.505 4.813 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)c1ccccc1 1351866586 ZKJYRFNEELTNKT-HXUWFJFHSA-N 428.935 4.904 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1Cl 1352038967 BXIVWBHMSNCTSP-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE CN(CCN(Cc1ccccc1)C(=O)c1cc2ccccc2n1CC#N)Cc1ccccc1 1354667242 HFZZEDKBDHXXJK-UHFFFAOYSA-N 436.559 4.939 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)c2ccc(CC)cc2)c(C(=O)OCC)c1C 1355008322 LFNCYNAJRPYSBZ-CQSZACIVSA-N 429.538 4.881 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cnc(Cc2ccc(F)cc2)s1 1356182802 PURMTCFAWGSLRR-UHFFFAOYSA-N 441.480 4.616 30 10 IJEE CC(C)(CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc2c(c1)OCO2 1357888098 COOGYTGPDSKPDF-UHFFFAOYSA-N 428.488 4.574 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC1=CCCCC1 1358989878 SNSMTYUKPNVCRR-UHFFFAOYSA-N 432.568 4.706 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H](OC)c1ccc(Cl)cc1 1359115095 KICJNPCKSHFHGJ-NRFANRHFSA-N 425.964 4.707 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 1359118857 HYAAZEDYPBZKGG-LJQANCHMSA-N 443.345 4.763 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)Cc1ncc(Cl)n1C 1359119055 SEDCMLXXXXGEAE-UHFFFAOYSA-N 449.784 4.615 30 10 IJEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(C)(F)F)c2)CC1 1359158005 AXJBTXJYTSMLPZ-UHFFFAOYSA-N 431.531 4.513 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1359166178 IVQOPLWPWWTSQW-HXUWFJFHSA-N 428.024 4.799 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)CCC(C)C)CC1 1359181894 LNQUJJLJEDTIDX-DEOSSOPVSA-N 430.568 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359190618 WSZSUVXBCOQVLT-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[C@@H]1C)C1CC1 1359250770 UHUKQYUHUZQZFZ-AZUAARDMSA-N 443.636 4.984 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)C(=O)NCC 1359268331 MCUWOTJJIVRRCJ-UHFFFAOYSA-N 441.645 4.616 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1CCc1ccc(F)cc1Cl 1359926916 HCUMACZBSNSDKM-UHFFFAOYSA-N 441.942 4.536 30 10 IJEE N#Cc1c(Br)cccc1OCC(=O)N1CCCC[C@H]1c1ccc(F)cc1F 1435506415 AQEGBZAXEFWQFH-SFHVURJKSA-N 435.268 4.732 30 10 IJEE C#C[C@H](NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1436649512 TVGOMVBHDWLDST-OFVILXPXSA-N 438.955 4.709 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)c1 1444185963 OKHDALMXOYPWDI-UHFFFAOYSA-N 433.529 4.623 30 10 IJEE Cc1ccc(C(=O)c2ccccc2C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1C 1447588744 CGWPFZRLFADRJK-UHFFFAOYSA-N 448.526 4.737 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 1448823252 CKOYVHBRKAASFL-XMMPIXPASA-N 449.982 4.591 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)COc1ccc(CCCNC(=O)OC(C)(C)C)cc1 1453349241 UGHCVGYNDWOHCG-RBBKRZOGSA-N 430.589 4.774 30 10 IJEE C#CC[C@]1(C(=O)Nc2cc(C)c(Br)cc2F)CCCN1C(=O)OC(C)(C)C 1460699020 XWUIGIQTHMCNDM-HXUWFJFHSA-N 439.325 4.628 30 10 IJEE C#C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Br)cc1 1460791069 WXGPVTDTVNOEMJ-JOCHJYFZSA-N 448.316 4.550 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(/C=C\C(=O)OCC)cc2)CCCN1C(=O)OC(C)(C)C 1462400457 YJPLTCBOYFBTKF-WCQSIDKYSA-N 428.529 4.547 30 10 IJEE Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)N1CCN(CCC#N)CC1 1465724290 ASDDRXUBUQYWRM-UHFFFAOYSA-N 448.546 4.795 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2cccc(Br)c2)c1 1467345672 AUWXUPXQHBDKDK-UHFFFAOYSA-N 443.341 4.925 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 1471021763 YIOMPDZVPKRVSY-QGZVFWFLSA-N 440.369 4.858 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCCCCC3)[C@@H]2c2ccccc2)c1 1471198944 PTCDDNOYLIPTNV-QHCPKHFHSA-N 438.593 4.689 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nnc1-c1ccccc1F 1472934693 LQROISIHIIUQHN-SFHVURJKSA-N 431.920 4.800 30 10 IJEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2ccc(Cl)c(Cl)c2)CC1 1472995898 FDUPCYOKFQVMRF-IBGZPJMESA-N 438.355 4.634 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)Cc2ccc(Br)cc2)c1 1474931349 XMFIKNZKACCFFG-UHFFFAOYSA-N 440.362 4.967 30 10 IJEE C=CCCC[C@H](C)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 1475133749 MDVBEMWVHIYBIK-GVXSCFBNSA-N 426.626 4.627 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)cc1 1476041531 IMINXYXODWSFTB-MRXNPFEDSA-N 438.475 4.691 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 1477735536 CYACKQPGPOJOFT-VWLOTQADSA-N 449.595 4.891 30 10 IJEE CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N(C)C 1503567657 BBWYUUCCIHUAAW-KRWDZBQOSA-N 448.518 4.570 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCS[C@@H](C)C1 1507557664 ZXIFHVVEODCQOP-AWEZNQCLSA-N 437.382 4.592 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]1c1ccsc1 1507579337 SKKATHRZCWQQBT-QGZVFWFLSA-N 444.402 4.863 30 10 IJEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCC2CCCC2)CC1 1507720378 DCIAPMIXKIIOOK-HSZRJFAPSA-N 449.643 4.761 30 10 IJEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1cccs1 1507787880 IGUDHBZMCPTATB-GFCCVEGCSA-N 438.420 4.801 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507802749 CJBUHGYXGFNURH-UGGKCQTMSA-N 448.533 4.793 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC(C)(C)C)n1CCc1cn2ccccc2n1 1508031914 BGDONKFMBRCLJL-UHFFFAOYSA-N 432.572 4.585 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)c2ccccn2)CC(C)(C)O1 1510321437 FFTXKFDHOJYDDE-UHFFFAOYSA-N 444.583 4.583 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CC)[C@@H]2C)c1 1517653954 BVJPCDYFZNRUGD-ZWKOTPCHSA-N 447.000 4.982 30 10 IJEE C#Cc1ccc(C(=O)N[C@H](COc2cccc(F)c2)c2cccc(C(F)(F)F)c2)cn1 1527029464 NNCCVQLTPVUOQT-OAQYLSRUSA-N 428.385 4.771 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)s1 1530438292 CZEAIMKUZGRKPS-UHFFFAOYSA-N 428.963 4.503 30 10 IJEE C#C[C@H](NC(=O)CCc1ccc(Br)c(C)c1)c1ccc(Br)cc1 1535484056 VTRFMVAKZICSES-SFHVURJKSA-N 435.159 4.943 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 1537041830 GLFGGEYIIOFCPA-AWEZNQCLSA-N 433.430 4.610 30 10 IJEE C=C(C)[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc(F)c(F)c1 1537692049 ICMRSOBTMBPCNN-HSZRJFAPSA-N 446.453 4.808 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(CN2CCCCCC2)CC1 1539124882 UBBMNNMXQFWVRM-UHFFFAOYSA-N 437.607 4.514 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@H](C)C1 1539304627 CVBWXZWGPHGVEI-ROUUACIJSA-N 425.374 4.607 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N(C)Cc1nc([C@H](C)OCC(C)C)no1 1539694574 CVDMJYWZVMGQCM-INIZCTEOSA-N 444.967 4.928 30 10 IJEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1C(F)(F)F 1539743729 PXLTWYFAGOOLAE-UHFFFAOYSA-N 431.462 4.588 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2c(C)noc2C)CC1 1539875777 WJZNYEPUVDYISL-UHFFFAOYSA-N 442.361 4.763 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(CC)CCOCC2)CC1 1539882856 ZQIGVPNWGPNSRM-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1539884525 LZVZQHMMDLFMCC-AUSIDOKSSA-N 434.588 4.594 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1539920313 BKRDFLCAFLULBU-UHFFFAOYSA-N 425.621 4.804 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1539953512 KGEBRMDHXAEVGQ-INIZCTEOSA-N 446.420 4.670 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1539986268 XJIYBOJRVLSXOM-RBUKOAKNSA-N 431.378 4.822 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@](C)(C#N)C1 1540029480 RYMGVLKQXGHJKD-HOYKHHGWSA-N 439.629 4.854 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C)o2)n1CCc1c(C)noc1C 1540176967 JHSOYCNZAACVPH-UHFFFAOYSA-N 431.540 4.929 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cc2ccccc2[nH]1 1540861388 OUGVZGIJFGYVMS-FQEVSTJZSA-N 436.560 4.654 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOC(C)(C)[C@@H]1C 1540909977 TXYZRQKHRDUJHW-PMACEKPBSA-N 444.645 4.958 30 10 IJEE COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc(C)c(N(C)C)cc1C#N 1545064898 AYUXQEJAOGFTMP-QGZVFWFLSA-N 444.373 4.529 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 1557083536 LFUPJUSEDSLEJU-RHSMWYFYSA-N 442.478 4.788 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1ccc(F)cc1Br 1559807660 MDTZAJFTKVVCFR-AWEZNQCLSA-N 425.367 4.685 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC3(CCCCCC3)[C@@H]2C(C)C)cc1 1562197207 GDANPNOINYOMLO-NRFANRHFSA-N 433.618 4.706 30 10 IJEE C=CCC[C@@H](NC(=O)NCC[S@](=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1564138397 AONFGBOCXLIFIU-KEEVHDRGSA-N 438.515 4.961 30 10 IJEE C=CCn1c(SCC(=O)Nc2c(O)cccc2Cl)nnc1-c1ccc(Cl)cc1 1569682939 YMWLLBFRMZDIRK-UHFFFAOYSA-N 435.336 4.874 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)c2ccncc2)CCC3)c(OC)c1 1585256333 QVZQOSDHXJAOAP-UHFFFAOYSA-N 448.544 4.617 30 10 IJEE C=CC[C@@]1(C(=O)OCC(=O)Nc2cccc(C(C)C)c2)CCCN1C(=O)OC(C)(C)C 1585547670 UTHUMLTUGHAZGE-DEOSSOPVSA-N 430.545 4.638 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(Cl)nc1 1587562748 SJLXDJFUVYMICL-LSDHHAIUSA-N 430.339 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCCN1C1CC1 1587667809 NFMZEMRMXDVGRC-NFBKMPQASA-N 449.643 4.629 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](c2ccco2)C1 1587707120 WOYBWOHHSWNHCN-GCJKJVERSA-N 438.503 4.532 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CCc1cccs1 1589242952 QNUOJRPUDZCEOX-JOCHJYFZSA-N 426.973 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN(C(C)C)C1 1589669390 SNJOIURODRRKHV-LJQANCHMSA-N 431.575 4.670 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1594511571 RNERQSZEPJZMHJ-FGZHOGPDSA-N 438.616 4.537 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1594634111 IWBNCQRQTWZUBM-HXUWFJFHSA-N 439.007 4.996 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1nc(C)c(C)s1 1594905944 ADUQUJUTZWKWMX-UHFFFAOYSA-N 435.553 4.861 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@@H]1C 1595238906 ANDYVVPTVFNUCS-REWPJTCUSA-N 431.584 4.556 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@](C)(O)C2CCCCC2)C1 1595688860 PWYNZIYLLWNTCA-OZXSUGGESA-N 438.616 4.620 30 10 IJEE CC1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCC[C@](C)(C#N)C2)CC1 1611765232 HVDRTDMROVABFI-HXUWFJFHSA-N 432.341 4.777 30 10 IJEE CC(C)c1ccc(-c2nc(CC(=O)Nc3c(C#N)nnn3Cc3ccccc3)cs2)cc1 1617078820 HXTBUHTYIOMZQA-UHFFFAOYSA-N 442.548 4.626 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)[C@@H]2CCc3ccccc3C2)n(Cc2ccc(F)cc2)c1C 1620665948 BWJPXQAJYLVKMV-XMMPIXPASA-N 444.554 4.592 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](CCC)C(=O)N2CCc3sccc3C2)cc1OC 1620766486 WTMGJGZPCUVLMI-LJQANCHMSA-N 449.016 4.818 30 10 IJEE CCCOc1ccc(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)c(OC2CCCC2)c1 1622600876 BEYDGDBEJKKBEX-UHFFFAOYSA-N 444.535 4.989 30 10 IJEE C=C(C)C[C@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OCC 1625184632 UCRRWISIEXZHDH-ZDUSSCGKSA-N 429.332 4.604 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 1630742551 GGBWXWZTCYNZBJ-UHFFFAOYSA-N 436.552 4.817 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(=Cc2cccc(OC)c2)CC1 1630926961 OZMMQWKIJFSGPG-FQEVSTJZSA-N 434.964 4.737 30 10 IJEE C#CCOc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c1 1633505701 WKWBWEWPZMKSQW-UHFFFAOYSA-N 434.289 4.944 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1638521309 GINKUBNGAZXYFG-FGZHOGPDSA-N 434.540 4.868 30 10 IJEE N#Cc1ccc(OCc2cccc(C(=O)N3CCCC[C@@H]3[C@@H](O)c3ccccc3)c2)cc1 1639409596 BQHBZZPMEFVPDI-FTJBHMTQSA-N 426.516 4.866 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)c(OC)c1 1640216131 DSCZPDKELJWDKZ-UHFFFAOYSA-N 438.524 4.692 30 10 IJEE C#CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1645136284 SNGVMGHLEOARGH-RUZDIDTESA-N 432.564 4.810 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2sc(C(=O)OC)cc2c1 1648332031 STSRNPQMTVPNHP-CQSZACIVSA-N 438.933 4.662 30 10 IJEE C#CCOc1ccc(Br)cc1CN[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]21 1651405105 PYJDSDJKIDWGKQ-NSISKUIASA-N 447.170 4.652 30 10 IJEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C/C=C/c2ccc(Cl)cc2)CC1 1653176179 AJMZACVUIPCKHQ-BTFLMBNSSA-N 430.777 4.998 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(Cc2ccccc2)[C@@H](CCC)C1 1657920514 WVUSDIOHSBLEEH-GMAHTHKFSA-N 425.642 4.638 30 10 IJEE C=CCCC(C)(C)NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C 1657931400 MDZVIMHKZGKIBX-IAGOWNOFSA-N 431.577 4.973 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1)c1ccc(F)cc1 1658482043 UYPUPHIGKFALRP-XMMPIXPASA-N 429.495 4.917 30 10 IJEE C=CCC[C@H](NS(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1)c1ccccc1 1661009038 BXMIACUCDVHCJL-FQEVSTJZSA-N 427.522 4.904 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)cc1 1663666751 JCIBTFGVMRGKKR-UHFFFAOYSA-N 428.554 4.756 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1Cc2cccc(Br)c2C[C@H]1CC)C(C)C 1665702191 ZBRIWZWHYVBDLU-KNQAVFIVSA-N 448.449 4.994 30 10 IJEE CC(C)OC(=O)C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 1669489325 CBDFPDHVCYRRHP-UHFFFAOYSA-N 425.460 4.685 30 10 IJEE COc1ccc([C@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(OC)cc2OC)cc1 1670084393 FVPOGAMUFATNOT-DEOSSOPVSA-N 431.492 4.690 30 10 IJEE Cc1cc(Cl)c(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1C 1670196739 HIAXQRLFANYCTK-UHFFFAOYSA-N 434.931 4.573 30 10 IJEE C=CCC1(O)CCN(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)CC1 1670959048 ZVGMCBBPEJCCPE-OAQYLSRUSA-N 448.485 4.916 30 10 IJEE C#C[C@H](NC(=O)N(CCCCOC)Cc1ccccc1)c1ccc(Br)cc1 1674025555 HPWAOZBQMBTYHP-NRFANRHFSA-N 429.358 4.762 30 10 IJEE C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 1675797623 CEEMXIRBTBKPLF-OYRHEFFESA-N 430.596 4.910 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2cccc(Br)c2Cl)n1 1676278981 BSQISZPKRJAFGE-UHFFFAOYSA-N 448.683 4.621 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 1677639481 RPIRPLOOHBLQFN-NRFANRHFSA-N 441.369 4.768 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 1683268340 VCAQWTYEYYQVOG-REWPJTCUSA-N 426.532 4.868 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(I)c(Cl)c1 1686265294 WOLPACHORWLYFI-CZUORRHYSA-N 432.733 4.879 30 10 IJEE C#C[C@@H](NC(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1)c1ccc(Br)cc1 1686919521 HGXGBVNJTDWEPA-NHCUHLMSSA-N 447.348 4.664 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](F)c1ccc(Br)cc1 1689856472 QYIQULLUXJAXGE-RDTXWAMCSA-N 447.377 4.862 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C2CC(C(C)(C)C)C2)c1 1689868399 FUYQPCWRPKNJKS-UHFFFAOYSA-N 445.567 4.900 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCc1nc2c(s1)CCCC2 1690038497 RPUFJVBCSGERES-UHFFFAOYSA-N 443.620 4.548 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@H](C1CCCCC1)N(C)C 1690040859 QZQHEHZFZFJZIM-QHCPKHFHSA-N 438.019 4.572 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]1CSC 1690157766 ORWSRSUHCHFVHT-WOJBJXKFSA-N 444.670 4.733 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1690223109 DXXTXFOBWMSVNI-PBHICJAKSA-N 447.377 4.640 30 10 IJEE C=C(C)COCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(F)F)C1 1690303306 XABJFEMVMJFALM-SFHVURJKSA-N 441.526 4.876 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1690335638 DIWPXSQESJGJKF-GOSISDBHSA-N 430.339 4.632 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN(C)C2CCCC2)CC1 1690367206 GBDLVHUNVYFOKX-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2occc2C)CC1 1690367712 ZJKZYHBISRVIOI-UHFFFAOYSA-N 443.345 4.822 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(Cl)nc2)CC1 1690369427 JTEYSCPFWUCISG-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@](C)(O)CCC(C)C)CC1 1690372724 WVZYILYLCAYZOX-RUZDIDTESA-N 435.572 4.944 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1690445459 XXFWWJAEGFRNMM-WXFUMESZSA-N 438.616 4.783 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1cccc(Br)n1 1690534571 CJAFRTXMIWVCIG-UHFFFAOYSA-N 444.402 4.707 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[C@H]2C[C@H](F)C2)C1 1690685603 AJNQBCLTHMERCG-MYGLTJDJSA-N 442.579 4.954 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)SC)C1 1690686729 SPGPPRBMVTZZHL-PMACEKPBSA-N 444.645 4.958 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1C(F)(F)F 1690745197 ZYDPEKLFISTOAS-QGZVFWFLSA-N 440.535 4.747 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1cccs1)N1CCCC1 1692660788 DPZAKYXCFAIJFL-UYAOXDASSA-N 426.634 4.648 30 10 IJEE CN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCCCC1 1696706224 DMGMRISABBSPRI-UHFFFAOYSA-N 434.613 4.779 30 10 IJEE C#CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705521492 CVDRQBUTOQQLLP-JOCHJYFZSA-N 438.641 4.935 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCC(C)C)C1CC1 1705695343 IGZKRKDODMNIEB-UGKGYDQZSA-N 439.560 4.849 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCc1ccccc1OC 1705705238 FKQDFFDZSAWLRR-RDGATRHJSA-N 438.616 4.680 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)CC[C@H]1C 1705732995 HKNWKQPGTFHPML-WOJBJXKFSA-N 442.604 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1705763721 BZVHZAKJSFUEHL-IAGOWNOFSA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1705765774 ZZMVIHCSXQMUDP-FQEVSTJZSA-N 429.012 4.660 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2(COC)CCCC2)CC1 1705770259 XRGNDNJPSLZRLY-UHFFFAOYSA-N 430.543 4.900 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1nc(C(F)(F)F)cs1 1705799025 JFIJDLLVCMRQMJ-OAHLLOKOSA-N 443.539 4.878 30 10 IJEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1705822131 UIFQBYUZJSZZNI-QGZVFWFLSA-N 426.515 4.508 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCC[C@H]1C 1705862902 YMRAYMJCNCZFOM-IQGLISFBSA-N 435.547 4.531 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C/C=C/c1ccccc1 1705878029 RZUVHAJIRCCWDG-KVCQUCPUSA-N 449.599 4.941 30 10 IJEE C=CCNC(=O)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(C)(C)CC1 1705896018 ZTICNYNOSXLTBA-UHFFFAOYSA-N 444.004 4.742 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(C#N)CC1 1705912758 TUCACOOKPVUDQX-UHFFFAOYSA-N 448.958 4.737 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)Cc2cccs2)C1 1705927279 UXSTUNLGORCBRR-HKUYNNGSSA-N 428.627 4.652 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)c1ccco1 1705939633 IHNXLYMNRMFQKS-SFHVURJKSA-N 439.585 4.857 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705947506 NIZZQYXOHIGJSI-GOSISDBHSA-N 436.547 4.799 30 10 IJEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H](C)c1ccccc1 1708738517 ASQDYPQJTGKNQN-CLOONOSVSA-N 436.604 4.520 30 10 IJEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)CCO1 1708855604 ANKPREITJQZGQE-ZEQKJWHPSA-N 444.583 4.657 30 10 IJEE CCOc1ccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCSC2)cc1 1710533736 DUNBHBRHIHWHBF-QRVBRYPASA-N 443.617 4.698 30 10 IJEE C#CCCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1722321120 WHOOWGXWBGNWJE-PXNSSMCTSA-N 443.389 4.802 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1cccc(C)n1 1722388757 JXDQDJMNRDQQDX-UHFFFAOYSA-N 443.620 4.685 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCN1CCCC[C@H]1C 1722476470 XCWXOGVPWLYWCJ-YIXXDRMTSA-N 449.643 4.731 30 10 IJEE C=C(C)Cn1c(N2C[C@H](C)[C@H]3CCCC[C@@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722553192 HNCVPFZZMWQNTJ-OMZCGLGVSA-N 429.609 4.640 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)CCC)CC1)c1ccccc1 1722594432 LIWQEBWVUXDWBX-OAQYLSRUSA-N 446.599 4.518 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1c(C)nn(C)c1C 1722595960 ZUZYLOCQEREHRQ-UHFFFAOYSA-N 427.984 4.575 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 1722605954 ZCLFXPOLZNXPJT-HXUWFJFHSA-N 445.405 4.927 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2cc(Cl)ccc2C1 1722607876 MEQTZPVTYHETAH-FPOVZHCZSA-N 430.980 4.575 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CC[C@](C)(CC)O1 1722635350 PHXNRVWDMXEFGE-UTKZUKDTSA-N 433.394 4.986 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)cc2Cl)n1CC1CCN(C(C)=O)CC1)C1CC1 1722646251 LAVFUVHIBLJEKW-UHFFFAOYSA-N 448.398 4.665 30 10 IJEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCO[C@H]1c1ccccc1 1722681826 UAISSFKJXVQZSU-GGAORHGYSA-N 426.605 4.673 30 10 IJEE COC1(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CCC1 1729935669 FEGNGIVPRMONKW-UHFFFAOYSA-N 433.478 4.555 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1C[C@H](C)O[C@@H](C)C1 1740634160 HLPAEACXGMEXMY-VXKWHMMOSA-N 448.611 4.646 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(-c2ccsc2)nc1 1740675920 YRNWYXMTCSMBGX-IFMALSPDSA-N 449.624 4.828 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccoc1 1740711655 QKLDXFSHAOVIGB-MRXNPFEDSA-N 426.611 4.727 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC(C)(C)c1ccc(OC)cc1 1740733632 OLSYJSBFZMZOEI-RUZDIDTESA-N 434.609 4.909 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N(CC)CC 1740752776 ASIXYJUAXNTWFC-BBRMVZONSA-N 425.396 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N1CCC[C@H](C)C1 1740775285 UGOTWRCPAWPUIF-RBUKOAKNSA-N 431.575 4.670 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)(F)F)C1 1740793227 PYEPRKVDHVKPGN-HNNXBMFYSA-N 444.448 4.519 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(C)CCCO2)CC1 1740828686 TWTHQBLDXKTDLH-XMMPIXPASA-N 445.007 4.977 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740869439 NFZUZHCXGIFOLN-UHFFFAOYSA-N 436.991 4.849 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(N2CCCCC2=O)CC1 1740869719 XFESQNBQPQOKJR-UHFFFAOYSA-N 445.970 4.685 30 10 IJEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740895761 TVORTGIPVDMPRA-IRXDYDNUSA-N 436.478 4.707 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC)c(F)c1)C1CC1 1740906881 METCHOYUORBEKU-UHFFFAOYSA-N 427.911 4.539 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1Cc1cnn(CC)c1 1740924628 XUUPCOGHWSGXMB-UHFFFAOYSA-N 436.560 4.527 30 10 IJEE CCN(CCn1c(-c2ccc(C)o2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C 1746317158 GWKLMPATKRXENC-UHFFFAOYSA-N 444.583 4.742 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccnc2)C(C)C)C1 1748468579 AIRBRIWAVGWUDF-ZEQKJWHPSA-N 444.583 4.657 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(C)(C)C)C1 1748736273 XIJQLZRQKNSAED-OAQYLSRUSA-N 426.630 4.940 30 10 IJEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 1748750862 QOXASNGNMZZCBM-UXHICEINSA-N 448.489 4.530 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](C)(CC)C1 1749024639 XNPIQICUHFLSDH-GOSISDBHSA-N 439.448 4.762 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCCC)c(OC)c2)n1Cc1ccoc1 1749060992 HWJLDTXGLNNHNY-RUZDIDTESA-N 434.540 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1749153277 RYJVWIWSDBEGNK-UHFFFAOYSA-N 432.572 4.853 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1N(C)CCCC1(C)C 1749163838 QAAYOYQNKGBQEC-HSZRJFAPSA-N 434.632 4.873 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1749223447 UIGMSNLCYMZYCD-UHFFFAOYSA-N 447.583 4.634 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@](C)(O)C1CCCCC1 1749473463 IXVBMTPTGFYMDP-IBGZPJMESA-N 439.423 4.723 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1C[C@@](C)(O)C1CC1 1749587085 HJKLPIKDBPAJGY-HSZRJFAPSA-N 426.948 4.588 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC(c2nccs2)CC1 1749689242 BFCYMESRBGQTCT-UHFFFAOYSA-N 437.613 4.930 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCCC1 1751082196 HYINUTCNGMAIIU-IBGZPJMESA-N 432.572 4.872 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1Cc1ccnc(SCC)c1 1760099400 GCGBDWDZSOSQFU-LJQANCHMSA-N 431.609 4.761 30 10 IJEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760272815 WKLKZJIEKDELMS-UTKZUKDTSA-N 439.629 4.529 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)ccc2Br)n1CCC1CC1 1760289975 YZNQFPJVDVPPHI-OAQYLSRUSA-N 429.362 4.508 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(Cc1cccc(F)c1)C(C)C 1760325993 UUKQMRRTPYUYDS-DHLKQENFSA-N 449.574 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCC1(F)F 1760329652 HCAGSGBAAADCEI-NQIIRXRSSA-N 426.552 4.547 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1C(F)(F)F 1760332717 AGZWLWLLFIJWKD-XLIONFOSSA-N 445.489 4.910 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccc(C)o1 1760379873 KRDJMUXPOWULKD-IBGZPJMESA-N 428.920 4.861 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](CCC)OC)CC1 1760384558 CCWFLESIQWSCIG-SFHVURJKSA-N 433.394 4.988 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCS2)CC1 1760405839 JBYVWQOZVAZISM-OALUTQOASA-N 447.649 4.648 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCc1nc(C)c(C)s1 1760479778 AMCLVPOBESNDOF-UHFFFAOYSA-N 432.597 4.611 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@](C)(O)CCC)C1 1760537899 SVQLWAMMUAIBCD-HRAATJIYSA-N 439.387 4.584 30 10 IJEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC2CCCC2)CC1 1761449494 CCMAORRRMARHFB-UHFFFAOYSA-N 429.515 4.790 30 10 IJEE COCCCN(C(=O)Cc1ccc(Cl)cc1)[C@@H](C#N)c1cccc(Br)c1 1857958507 QWCCDAFCPPCHLD-IBGZPJMESA-N 435.749 4.775 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861189505 CJHAZDCVGOPJNV-FYYLOGMGSA-N 447.639 4.799 30 10 IJEE CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CC2)cc1 1862422145 XGDYWQGKACVORF-OAQYLSRUSA-N 426.463 4.552 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2[C@@H]2CCCC[C@@H]2C)ccc1O 1862480978 TYLLVDHPYQTPBW-XKDCRVNJSA-N 435.520 4.866 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 1862662889 MUKAQHLQAABJNU-GGAORHGYSA-N 435.520 4.576 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 1862674604 YXNIWZMEVJOEGA-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(N(CC)CC)cc1 1862697026 ZJXOVJKXFQTKIL-UZUQRXQVSA-N 436.552 4.918 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@@H]2c2ccc(F)cc2)c1 1862702783 MCAJYQRUVGIURE-OAQYLSRUSA-N 437.492 4.717 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cc(Br)ccc1F 1862708710 BXPJNSIWMFUSHE-GOSISDBHSA-N 448.288 4.585 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 1862744612 QFWYZSGUEMCQLA-KPZWWZAWSA-N 448.397 4.990 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)cc1 1862748644 GPJJGYCQIMAASJ-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCCOc1ccccc1N1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(F)cc2)C1=O 1862764932 CUSOWMOZRXJFSG-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE CSCC[C@H](NC(=O)C[C@@H](c1ccc(C)cc1)C(C)C)C(=O)Nc1cccc(C#N)c1 1866744547 JXMNNZGNKKRICS-PKTZIBPZSA-N 437.609 4.873 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CN(C)Cc2ccccc2)cc1=O 1870413136 SOXWAKNOARZNAB-UHFFFAOYSA-N 436.600 4.795 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN(CC)CC 1870514898 KJEUFSGXGKILPW-UHFFFAOYSA-N 435.653 4.688 30 10 IJEE Cc1cccc(/C=C2\Oc3c(ccc4c3CN(C35C[C@H]6C[C@@H](CC(O)(C6)C3)C5)CO4)C2=O)c1 1871353271 ONWLRLNUQXCERA-QXOMQBMXSA-N 443.543 4.847 30 10 IJEE CCCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 1871418773 MUGNLPKDENSXPH-ZDLGFXPLSA-N 431.282 4.706 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H](C)CC)S(=O)(=O)c1cccs1 1872002523 BBPPMHLNYJXTCQ-NQIIRXRSSA-N 434.627 4.985 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(C)(C)C)c1)C(C)C)S(=O)(=O)c1cccs1 1872211655 JJQDSNVRYXTQHU-HXUWFJFHSA-N 434.627 4.886 30 10 IJEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(N(CC)CC)cc1C)S(=O)(=O)CCCC 1872583516 GMQGWOFAVPAJQQ-QFIPXVFZSA-N 437.650 4.566 30 10 IJEE CCCCCCCCNC1=C(c2cccnc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873079059 WVJPFOIHTFDLMF-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCC(C)C)cc2)=C(c2cc(F)c(F)cc2F)C1=O 1873239131 AKBJIUINPGNUAL-UHFFFAOYSA-N 430.426 4.517 30 10 IJEE C=CCN=c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Br)cc2C)[nH]1 1873469868 LHTFDFFNVAJHFM-UHFFFAOYSA-N 435.329 4.650 30 10 IJEE C=CCNC(=O)[C@@H]1CC(=O)N(C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)C1 1873840720 CCWSXGHKOIUECL-SSVAKIOMSA-N 436.640 4.971 30 10 IJEE C=C(C)CSc1nnc(COc2ccc(CCC)cc2)n1/N=C/c1ccc(O)c(O)c1 1874257917 DTQHOIHFZWGKMA-ZMOGYAJESA-N 438.553 4.771 30 10 IJEE COc1cccc(CCc2nnc(SC)n2/N=C/c2c(OC)ccc3ccccc23)c1 1874308065 DKOUFMGSWSBHEM-PCLIKHOPSA-N 432.549 4.838 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccco1 1874437286 TYIGRQGEEVWJOE-OEAKJJBVSA-N 425.558 4.635 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cn(C)c2ccccc12 1874475070 HXOBSOIGGMTTDF-MFKUBSTISA-N 446.580 4.725 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)NC2CCCCC2)cc1 1874577933 MYQFEAMCADUQJD-SAPNQHFASA-N 437.536 4.818 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1OCc1nc(O)c2ccccc2n1 1874625695 RKHQHDOZFIBFGR-WUXMJOGZSA-N 430.435 4.958 30 10 IJEE COc1cc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc(Br)c1OCCO 1874629242 SUKOWXUYHGCTIK-VOTSOKGWSA-N 433.342 4.959 30 10 IJEE COCCC(=O)Oc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(Cl)c2)cc1OC 1875187928 YXOSPXCFZWEYRA-GQCTYLIASA-N 439.291 4.849 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccc4ccc(OC)cc34)ccc21 1891224274 QPPZXPYNYMYVME-UHFFFAOYSA-N 444.531 4.967 30 10 IJEE CN(CC#CCNC(=O)c1cc(-c2cccs2)nc2ccccc12)Cc1ccccc1 1892001785 GOLZNBSFDXHHEL-UHFFFAOYSA-N 425.557 4.829 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CCC[C@H]2NC(=O)OC(C)(C)C)cc1 1943910163 GOTAGXXWVDGRDM-WZONZLPQSA-N 431.533 4.776 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1944716913 IELADBAKNVLOSN-RBUKOAKNSA-N 431.533 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H](CNC(=O)OC(C)(C)C)C(F)F)NCCC 1984701618 UNQOLNNGARNELJ-PMACEKPBSA-N 426.548 4.924 30 10 IJEE COc1ccc([C@@H](n2nc(C(C)(C)C)c(C=NO)c2Br)C2(C)CC2)c(O)c1 2079849309 VJYSHAUPZVFMEI-QGZVFWFLSA-N 436.350 4.855 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](CNc2cc(Br)c(C#N)cc2F)C1(C)C 2105978144 HCJVJIOHLISUJF-ZDUSSCGKSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2N1c1cc(Br)cc(F)c1C#N 2174764712 BXIKIPSJTSRISL-HACGYAERSA-N 438.341 4.732 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C#N)cc2Br)C1 2181148364 YDLUJALCZOELHY-DZGCQCFKSA-N 436.350 4.733 30 10 IJEE CCCCC[C@H](CC)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2193697584 HXJHPGDXSZJCBS-INIZCTEOSA-N 425.220 4.938 30 10 IJEE CC(C)(C)OC(=O)N1CCc2cc([C@H](N)C#Cc3ccccc3Br)ccc21 2235724971 GVBROQXJQHXSRQ-LJQANCHMSA-N 427.342 4.798 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@H](O)C#Cc1ccccc1Br 2235735210 SUVFKKVLGGAMRQ-WOJBJXKFSA-N 428.326 4.528 30 10 IJEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1CCCC1 2255625568 SQVXMYPUJABQER-UHFFFAOYSA-N 440.418 4.583 30 10 IJEE C=CCCC1([C@@H](O)Cc2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266318981 XWWXSJGMJXNJQH-KRWDZBQOSA-N 428.342 4.695 30 10 IJEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)c1ccccc1NC(=O)OC(C)(C)C 2268643749 LHGFYZYFXOIEAM-UHFFFAOYSA-N 442.365 4.849 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1Nc1c(Br)cccc1C#N 2285238602 UUCUPVOGQMAVOQ-PKOBYXMFSA-N 428.330 4.923 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C 2296219389 NSOAXIGWEUEPFR-DLBZAZTESA-N 445.348 4.669 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C[C@H](N)C#Cc1cccc(Br)c1)c1ccccc1 2296225787 YXOKEJZPVWXBAY-WOJBJXKFSA-N 429.358 4.784 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@H](CNC(=O)OC(C)(C)C)CC(C)C 2296267398 SKFZSXCXTFNQBA-QUCCMNQESA-N 437.422 4.966 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCCC2)[C@H]1C(=O)C#Cc1ccc(Br)cc1 2296275970 CIDDISJFHHQZEX-LJQANCHMSA-N 432.358 4.940 30 10 IJEE Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)cc1 2297378366 HKGJADPELWRVRZ-UHFFFAOYSA-N 428.510 4.682 30 10 IJEE C[C@H]1Cc2cc(C(O)=C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccs3)ccc2O1 2297742591 OHEPDELVJWIOSI-OYHNWAKOSA-N 431.513 4.693 30 10 IJEE O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1 2314478572 UPWYSEAQAHGCPV-QHCPKHFHSA-N 430.891 4.913 30 10 IJEE C[C@@H]1C[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2317353728 JBYKBPOUIWCYIX-SJLPKXTDSA-N 430.354 4.503 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(SC)nnc2C(C)C)cc1OCC 2318418109 PTLMRPJIFWSHAY-UHFFFAOYSA-N 441.395 4.956 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(Cl)cc1Cl 2321176163 KPIIPHMJSSMPFF-UHFFFAOYSA-N 445.335 4.717 30 10 IJEE CCc1ccc(NC(=O)CSc2nncn2N=Cc2ccc(Cl)cc2Cl)cc1 2321248381 URCATQPRZOUULI-UHFFFAOYSA-N 434.352 4.760 30 10 IJEE Oc1ccc(C=Nn2c(S)nnc2COc2ccc(Cl)cc2Cl)cc1Cl 2322260182 PITNQWQDADURMU-UHFFFAOYSA-N 429.716 4.694 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccccc2OCC(=O)NCc2ccccc2)cc1C 2322981389 HAIGFYOXOOFUNV-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE CCCNC(=O)COc1c(C=CC(=O)c2cc(C)c(OC)cc2C)cc(Cl)cc1OC 2322991997 DSYWGEGPQGMNFO-UHFFFAOYSA-N 445.943 4.775 30 10 IJEE COc1ccccc1C=C1Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2C1=O 2323561857 ZAHHTTXYYUJVGK-UHFFFAOYSA-N 440.407 4.637 30 10 IJEE COc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OCc1ccccc1 2324035624 JPIHPIVOBMBVLO-UHFFFAOYSA-N 432.472 4.950 30 10 IJEE CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)OC(=Cc2cccc(C)c2)C3=O)s1 2324803855 LWLZXBFOODNGGQ-GOSISDBHSA-N 449.532 4.821 30 10 IJEE COc1ccc(CNC(=O)COc2cc(C)c3c(c2)OC(=Cc2cccc(C)c2)C3=O)cc1 2325449277 FEXWIDWZVQNAOD-UHFFFAOYSA-N 443.499 4.623 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2)c1 2325707630 CNQICPAAVRFZPT-UHFFFAOYSA-N 446.459 4.785 30 10 IJEE CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)COC)c2)cc1OCCC 2325726707 UDXLMGAOEISECV-UHFFFAOYSA-N 442.508 4.721 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C)cc(C)c2OC)cc1OC(=O)c1cnc(C)cn1 2325757175 XZPZPWQCRDZCTH-UHFFFAOYSA-N 432.476 4.534 30 10 IJEE C=CCSc1nnc(COc2ccc(C)cc2C)n1N=Cc1ccc(OC)cc1OC 2328903670 OPKLKJSWVUDRJX-UHFFFAOYSA-N 438.553 4.651 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OC(=O)c2cccnc2)c(Br)c1 2331063941 UTGUONBUNVEKCW-UHFFFAOYSA-N 438.277 4.968 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2sccc2C)o1 2331132465 FBBWYSKFMHYKKJ-UHFFFAOYSA-N 444.460 4.611 30 10 IJEE Cc1ccc(C)c(CSc2nnc(C(F)(F)F)n2N=Cc2ccccc2[N+](=O)[O-])c1 2331136456 GLOBVZZYVFQOAQ-UHFFFAOYSA-N 435.431 4.996 30 10 IJEE CCCCc1nnc(SCC)n1N=Cc1cc(Br)c(OCC)c(OC)c1 2331332732 DLUSKEFTAHXLHM-UHFFFAOYSA-N 441.395 4.785 30 10 IJEE CCCOc1c(C=Nn2c(COC)nnc2SCc2ccccc2C)cccc1OC 2331554788 RWHRHYSZMHCJDZ-UHFFFAOYSA-N 440.569 4.705 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1COc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339574891 OQYCTPPLGSQZAO-IEBWSBKVSA-N 444.381 4.608 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339594238 QNAXDUNELLJZPU-RIBQSRIRSA-N 443.397 4.784 30 10 IJEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339601208 VVLMNSGWZRXURN-UCMOUWFMSA-N 443.397 4.560 30 10 IJEE COc1nc(N(Cc2ccccc2)CC2CCCCC2)ccc1B1OC(C)(C)C(C)(C)O1 2339785891 DBVBFHYJSAJYCK-UHFFFAOYSA-N 436.405 4.976 30 10 IJEE CN(c1ccc(Br)cc1C#N)C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2 2365498496 OXJGLSRBFDAOSW-MVVMVCHASA-N 434.378 4.793 30 10 IJEE Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)c(Br)c2)cc1 20882579 JRUMJDMGNYXZDV-HOTGVXAUSA-N 428.301 4.901 30 10 IJEE O=C(CCSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)Nc1ccc(Cl)cc1 21079104 NHEZKBUUGHTBBL-UBNNNTKFSA-N 426.933 4.690 30 10 IJEE COc1ccc(C(=O)/C=C\c2ccccc2F)c(OC(=O)c2ccc(OC)c(OC)c2)c1 33931727 KSAYVAPUTZWRLP-WQLSENKSSA-N 436.435 4.967 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(O)c(OCC)c1 40101023 MFKYQWZRIUOVBW-QFIPXVFZSA-N 439.508 4.568 30 10 IJEE CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C)c(F)c4)CC3)c2c1 44167632 NXYBSTLOUGMLQP-UHFFFAOYSA-N 432.499 4.808 30 10 IJEE C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1cccc([N+](=O)[O-])c1 63287507 CFEVENLWDXTBKW-VWLOTQADSA-N 447.560 4.819 30 10 IJEE C=CCn1c(-c2sc(NC(=O)CCCOCCc3ccccc3)nc2C)n[nH]c1=S 108063873 WWSRCISXWJRMMK-UHFFFAOYSA-N 443.598 4.537 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2Cc2cccs2)cc1 169921327 QIUVYBYHYPJEHT-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCCOC(C)C 169948384 JJZUNCOJROHUKI-HSZRJFAPSA-N 449.503 4.835 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C)cc2C)[C@H]1c1ccc(O)cc1 169963195 XEJOWUDFQZYMDK-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE Cc1c(Cl)cccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccnc1 170005757 JVAXTZVGEQOBCO-JOCHJYFZSA-N 446.890 4.761 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(CC)cc3)[C@@H]2c2ccncc2)cc1 170019908 OKMPINATTOYMIX-QHCPKHFHSA-N 428.488 4.826 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1cn(C)c2ccccc12 170085545 PNSDDDOCTDRBJP-HSZRJFAPSA-N 430.504 4.708 30 10 IJEE CCOc1cccc(CN2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2ccco2)c1 170097942 GNMALQSWXNGNOC-XMMPIXPASA-N 431.488 4.776 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)CCCO4)=C(O)C(=O)N2c2ccccc2)cc1 170113653 AQDXIMATCYOEGY-XMMPIXPASA-N 441.483 4.803 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(F)c4)[C@@H]3c3cccs3)ccc2O1 170155537 LJZTWFUEJGUJIC-LRTDBIEQSA-N 435.476 4.994 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccccc2)c1 170222285 HQMKGSBRBDCIOT-HSZRJFAPSA-N 437.536 4.725 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@@H]2c2ccc(F)cc2)c1 170237827 JOPMMNBGWJNBFU-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1C 170241213 ALYCHPOPOBMCNR-QFIPXVFZSA-N 435.451 4.904 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1cccc(O)c1 170256753 UMGWBTZMNCJBKG-NRFANRHFSA-N 449.528 4.858 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(C)[nH]c2ccccc12 170311655 CQVJLGMXPRERPV-DEOSSOPVSA-N 440.499 4.854 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C[C@H]1CCCO1 170315762 HIYUXLAQPFWDPI-UYAOXDASSA-N 441.549 4.601 30 10 IJEE COc1cc(/C=C\C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)ccc1OCC#N 208667875 BUKULKPHMGJYOE-CLTKARDFSA-N 427.432 4.651 30 10 IJEE COC[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(F)cc1 466556577 QLZYHGGLWONHLE-DEOSSOPVSA-N 433.483 4.980 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 508884252 GGCYQSGWMYZMLA-LDLZHSJESA-N 448.542 4.815 30 10 IJEE C=CCn1c(S[C@@H](C)C(=O)c2cc(F)ccc2F)nnc1[C@@H]1COc2ccccc2O1 517357149 BFYHYBBWXLZIFV-DJJJIMSYSA-N 443.475 4.618 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2ccc(OC)cc2OC)cc1 526486096 JXZGFIAMPZKHIW-DEOSSOPVSA-N 442.471 4.641 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)c1OC 526492200 UFDNAIBEFVCTGT-NRFANRHFSA-N 447.878 4.681 30 10 IJEE CCc1nnc(SCc2cc(C)cc(C)c2)n1/N=C\c1cc(Cl)c(O)c(OC)c1 526809830 OURFVMROYSHWIB-KSEXSDGBSA-N 430.961 4.999 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 530394730 OIFVMJWGAPALML-NRFANRHFSA-N 426.630 4.710 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccccc2)CC1 549158055 AJMAOSLMTHCXRU-UHFFFAOYSA-N 442.386 4.947 30 10 IJEE C=CCn1c(Cc2ccccn2)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 579764431 AHTHRSAXNVIFMB-UHFFFAOYSA-N 434.594 4.506 30 10 IJEE CC1(C)OB(c2ccc(Cl)c(NC(=O)c3ccsc3Br)c2)OC1(C)C 699102950 VMZCAVIVXPPXKV-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)C2)cc1 739598290 HKLGVODNOACDBC-QFIPXVFZSA-N 443.572 4.764 30 10 IJEE CC(C)S(=O)(=O)c1ccccc1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740453708 GJKVUKPSACTKGU-UHFFFAOYSA-N 439.562 4.791 30 10 IJEE C=CCn1c(-c2ccccc2OC)nn(CN(C[C@@H]2CCCO2)C2CCCC2)c1=S 742166291 UWYQGCQCWRFDFG-IBGZPJMESA-N 428.602 4.657 30 10 IJEE C#CCCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(C#C)c1 742213391 IBUXUWIRTWJYGD-QHCPKHFHSA-N 443.572 4.658 30 10 IJEE C=CCn1c([C@H]2COc3ccccc3O2)nn(CN2CC3C[C@H]4CC2C[C@@H](C3)C4)c1=S 744160371 CRLIQRIPNLJWPM-GXSOZLSASA-N 438.597 4.581 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)c1ccc(F)cc1C 747821331 WKVRZMARDHMPHC-LJQANCHMSA-N 433.936 4.970 30 10 IJEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1 750730964 UFTOECRAORPGSI-ILBGXUMGSA-N 433.515 4.893 30 10 IJEE CC(=O)N1CCc2sc(-c3csc(=Nc4ccccc4C#N)n3CCCF)cc2C1 754805005 LYMWRTCMFUAGFF-UHFFFAOYSA-N 440.569 4.646 30 10 IJEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 807467071 KQJFLYIQNQSBMT-RBBKRZOGSA-N 448.954 4.914 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)c1ccc(Cl)cc1 810473528 DMSLLNJHBPAKAU-FQEVSTJZSA-N 448.954 4.561 30 10 IJEE COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(C(C)C)c3)NC2=O)cc1Cl 917634492 DBCWMLPPKAOXLR-SFHVURJKSA-N 431.945 4.720 30 10 IJEE Cc1ccccc1NC(=O)CCSc1n[nH]c(NN=Cc2cccc3ccccc23)n1 1084298188 PWCZUGJQXFNHEF-UHFFFAOYSA-N 430.537 4.833 30 10 IJEE C=CCN(C(=O)C1=Cc2cc(F)ccc2OC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124416178 SPNZEUHBXOUCDA-UHFFFAOYSA-N 437.452 4.852 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c(OC)c1 1124713496 JOXHASMATYFFOQ-UHFFFAOYSA-N 430.476 4.767 30 10 IJEE CS(=O)(=O)c1cc(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)ccc1F 1128919631 GOEJKUDBPZMFIF-UHFFFAOYSA-N 426.494 4.504 30 10 IJEE C=C(CNC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O)c1ccccc1 1129475444 FNLAEQZXXIRIRF-UHFFFAOYSA-N 429.545 4.653 30 10 IJEE C=C(C)Cn1c(SCC(=O)OCc2ccc(OCC)cc2C)nnc1-c1ccco1 1130435920 AZANXHXVBRWPIN-UHFFFAOYSA-N 427.526 4.657 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1)C(=O)OC(C)(C)C 1136387362 HBWSOZKMQFLJAS-UHFFFAOYSA-N 442.487 4.744 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 1140935580 PIWOPGYMFAFBEM-WOJBJXKFSA-N 426.561 4.866 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cc1 1144768805 HTIWSOFNLWUMSC-GGAORHGYSA-N 429.545 4.896 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1148506100 STWUXBYRMWQHDX-GASCZTMLSA-N 425.872 4.824 30 10 IJEE COc1ccccc1-n1c(S[C@@H](C#N)CCc2ccccc2)nnc1N1CCCCC1 1188439134 GZLIJNDLWDJAAB-HXUWFJFHSA-N 433.581 4.883 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)c(I)c2)C1 1199761861 QAXYWYFSGVTYDQ-LLVKDONJSA-N 449.130 4.874 30 10 IJEE N#Cc1ccc(-c2cccc(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3F)c2)s1 1209919126 GCGSGCZQFCRCRX-UHFFFAOYSA-N 440.443 4.923 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(c3ccccc3OC)CCC2)cc1 1214912459 WGWMKYZZZPECBA-UHFFFAOYSA-N 433.552 4.753 30 10 IJEE O=C1NCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H]1c1ccccc1C(F)(F)F 1214947462 BUMNBAPUPBIIOW-HNNXBMFYSA-N 449.326 4.568 30 10 IJEE Cc1csc(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C#N 1217531763 BOOOGKMBARFYGN-UHFFFAOYSA-N 430.839 4.703 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC[C@@H](OC(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1 1224641439 KHVSWBVKKJHSNP-MSOLQXFVSA-N 427.467 4.585 30 10 IJEE C#C[C@@H](NC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1)c1ccc(F)cc1 1230478726 NLTWBOAATQJQQM-HSZRJFAPSA-N 432.495 4.929 30 10 IJEE C#C[C@H](NC(=O)N(C[C@H](O)c1ccc(OC)cc1)[C@@H](C)Cc1ccccc1)c1ccccc1 1252458225 IZKGPRIZJDEOLO-PUUVEUEGSA-N 442.559 4.746 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286336157 PKPVPYFNJBWAOC-BRSBDYLESA-N 426.527 4.635 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1nc(C)c(C)s1 1286456052 LTEUGZDNBUNEKQ-UHFFFAOYSA-N 446.555 4.549 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCCC[C@@H]1C 1286524730 OBZRZGXTSHCSKL-NBGIEHNGSA-N 440.035 4.779 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(C)(C)CC1 1286603363 BXSOAKKYDASKLD-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC(C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286676204 IQHPIQDZCFLYIM-NRFANRHFSA-N 444.542 4.700 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1OC 1286748051 SFLHAXIUUWOHKB-BVSLBCMMSA-N 428.552 4.667 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)C1 1286806973 ZEPSUONJHQCOEG-XJUOHMSHSA-N 438.616 4.876 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H]1CSC 1286825867 QMRNXVAETBTGKA-GOSISDBHSA-N 440.642 4.586 30 10 IJEE COc1cc(C#N)ccc1C(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 1293470127 GOUJODBFEFCBMH-UHFFFAOYSA-N 444.466 4.548 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](C)c3ccc(C(F)(F)F)cc3)n[nH]2)c1C 1296531045 XSTCUHRZTOWEHK-ZDUSSCGKSA-N 431.462 4.628 30 10 IJEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCC(CN(C)CCCC)CC1 1300399275 HRXDTWOPCLNRPG-UHFFFAOYSA-N 444.627 4.855 30 10 IJEE C#CCCCn1c(CSc2ccccc2OC)nnc1N(C)Cc1cc(Cl)ccn1 1300423801 WDPQAOYBNUBFLK-UHFFFAOYSA-N 441.988 4.677 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(O)CCCCCC1 1300443404 GKSNTOAGEGQZSF-UHFFFAOYSA-N 438.572 4.967 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](CC(C)C)C1 1300756094 FHRNVFBGXPSZIY-LJQANCHMSA-N 435.597 4.839 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(c2ccsc2)CC1 1300766893 NLVIERGDKBFAHL-UHFFFAOYSA-N 428.652 4.742 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCCCSC 1300788945 RNZRJUDTDKBOBD-LJQANCHMSA-N 436.423 4.561 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1300897460 RQSZVQADSNXABU-OBFMXLEASA-N 442.579 4.992 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N(C)Cc1ccc(Br)o1 1301030103 FFRZIVWKSDUOQQ-UHFFFAOYSA-N 425.689 4.829 30 10 IJEE C=CC[C@]1(C(=O)N2CCC3(CCc4ccccc4O3)CC2)CCCN1C(=O)OC(C)(C)C 1301086875 YQMUHLFDARKNLB-AREMUKBSSA-N 440.584 4.719 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](OC)C2CC2)CC1 1301105068 CHRUBKHHAINURP-HRAATJIYSA-N 430.980 4.899 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1301147902 ISWJAFGHCRNJHZ-NQIIRXRSSA-N 446.542 4.631 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1301154303 OSEFOHDVUCOSER-HSZRJFAPSA-N 431.584 4.834 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 1301183112 REYQKGKVPFMNHH-QHCPKHFHSA-N 432.616 4.741 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC=CCC1 1301354780 JDDAOWPNAXKBRU-RRPUWOKSSA-N 440.563 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1Cc1ccc(N(C)C)c(F)c1 1301360216 XUMQJQALCRWZBC-UHFFFAOYSA-N 448.571 4.848 30 10 IJEE CC(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1(N(C)C)CCCCC1 1302604572 HPVSFMNCQQBTOO-UHFFFAOYSA-N 432.616 4.831 30 10 IJEE Cc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(OC(C)C)nc1 1304525239 CAFZQRZYFDYKHY-UHFFFAOYSA-N 430.556 4.614 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 1307312316 PLTPCVYDCMADIX-HNNXBMFYSA-N 428.945 4.862 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccccc1 1309807681 VKUPMTKJRFWPLT-INIZCTEOSA-N 439.331 4.733 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N(CCCNC(=O)OC(C)(C)C)CC1CCCC1 1310370428 AUXQPFGPNQSELB-UHFFFAOYSA-N 447.551 4.777 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(C(F)(F)F)c(I)c2)C1 1311219944 QQKAISVKPDWDJC-NSHDSACASA-N 436.215 4.577 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 1312245784 CLUWRCPFCPIPMW-WQVCFCJDSA-N 436.375 4.585 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(F)cc1 1312934058 IGBIBVXFHRJOAM-IFMALSPDSA-N 443.563 4.569 30 10 IJEE Cc1ccccc1N=C1S[C@H](c2ccc([N+](=O)[O-])cc2)CN1C(=O)c1csc(O)n1 1352314070 DZWQOGOZKNPUSU-KRWDZBQOSA-N 440.506 4.683 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 1352522710 USXXXQVXOPBRNQ-UHFFFAOYSA-N 439.508 4.723 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4cnccc4n3)s2)c(C(F)(F)F)c1 1356339013 IDWZBALXHZPFQY-UHFFFAOYSA-N 439.422 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@@](C)(CC)O1 1358897720 FIJKQYKKMFXULY-IATMXGELSA-N 438.616 4.960 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1358907678 XHYMIMGDBNYIQN-HXUWFJFHSA-N 442.007 4.533 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[C@@](C)(O)c1ccccc1 1359003162 AOQYKQFNWIORGU-NIYFSFCBSA-N 448.636 4.889 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1359125905 YHLAUMMPYJTEBT-AXHMDWHKSA-N 427.420 4.793 30 10 IJEE C=C(Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1359138273 PJBOATCJGFKMPM-MRXNPFEDSA-N 445.386 4.708 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2c(C)noc2C)CC1 1359159742 DBFCJZGIYXPWLA-KRWDZBQOSA-N 427.936 4.881 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1359162153 FYNRNUDONBDARZ-PZJWPPBQSA-N 440.588 4.570 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1359204803 BOWWJWYHALKCGW-UXHICEINSA-N 431.625 4.717 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359210204 MLRCLBRHKPWMNC-GJZGRUSLSA-N 438.439 4.654 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[C@@H]1OC)C1CC1 1359247741 NLRVUWXFQCSQRL-HIFRSBDPSA-N 437.407 4.739 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1C[C@H]1CCCn2cc(C)nc21 1359255132 PDEDMQVQSMVCHF-JOCHJYFZSA-N 448.615 4.760 30 10 IJEE Cc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)o1 1360766083 GATYTSDKEBEHJM-FXAWDEMLSA-N 425.916 4.610 30 10 IJEE C=CCN(C(=O)c1csc(C2CCCCC2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1435899873 LIZPPXGZMIGUTI-OAQYLSRUSA-N 426.582 4.993 30 10 IJEE C=CC[C@H](NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C(C)C)nc21)c1ccncc1 1444204987 IILSRWYWWWEXGL-KRWDZBQOSA-N 431.462 4.711 30 10 IJEE C=CCn1c(SCC(=O)N(C[C@H]2C[C@H]3CC[C@H]2C3)OC)nnc1-c1ccc(Cl)cc1 1450245289 DABIJTCRNQWQIU-RYQLBKOJSA-N 447.004 4.703 30 10 IJEE CC(C)(C)OC(=O)N(CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)c1ccccc1 1455326961 KRPXSPCPTRSNKV-UHFFFAOYSA-N 444.381 4.513 30 10 IJEE C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1457876047 DVJBCMYTWFNZQD-SNVBAGLBSA-N 430.364 4.855 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC 1461204518 PSNOWLPGPCIAJM-XLIONFOSSA-N 429.866 4.538 30 10 IJEE C=CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)[C@H](C)COC 1465471571 PAWXACIQGOKLHO-QGZVFWFLSA-N 441.959 4.874 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1c(C)cnn1C 1470047974 KELKZBFTKIXLTK-QHCPKHFHSA-N 444.535 4.541 30 10 IJEE C#CCN(C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 1471591090 PMSMAGKLMMZQPI-REWPJTCUSA-N 439.600 4.746 30 10 IJEE C=CCc1cc(CN[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc(OC)c1O 1474085002 CHKVYMVKROYVJS-NZQKXSOJSA-N 446.950 4.762 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCc1c[nH]nc1C 1507530321 UKPPENDSHVYHQR-MRXNPFEDSA-N 448.571 4.935 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1507601462 FYXCKABXWUUFFH-IMWIBFENSA-N 444.023 4.651 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCc1csc(C(C)C)n1 1507642571 XAUQYFYIQAKOEC-UHFFFAOYSA-N 443.620 4.644 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1507797517 LVCPOSAPLVXSTH-LEDOBFOHSA-N 428.577 4.539 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[C@H](O)C1 1507813954 GLMGCFJUKIQYIN-CABCVRRESA-N 439.423 4.723 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]1C1CCC1 1507837171 JUCAVBKDILNGCK-XMSQKQJNSA-N 428.552 4.919 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507870116 DTOCMPGPPOIUFK-UXHICEINSA-N 446.039 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1507911411 KJPCUOIICGGLBW-JTSKRJEESA-N 440.588 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1507914103 DYLYYHGBKNHYJY-MJGOQNOKSA-N 431.625 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1507920518 VWZYGJLWBZXJNV-UHFFFAOYSA-N 431.625 4.528 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1507925334 FOSRAGDVDYZRMP-KNKQGSTJSA-N 428.552 4.919 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H]1COCCO1 1507929527 RQTPRNYAIWYICX-AZUAARDMSA-N 444.645 4.729 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1507944798 YWRTUTZSEBRUPQ-KXBFYZLASA-N 449.368 4.818 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@@H]1CC 1507954589 ODOSGIYTLUDDRW-ICSRJNTNSA-N 431.625 4.984 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@H](C)Cc1cccs1 1508008754 SPMOXOLAFFXVRX-MSOLQXFVSA-N 428.627 4.976 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1508013193 LVZXRDULNXTSGL-JPYJTQIMSA-N 428.964 4.505 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1508412349 AWUHGFSWQGGOKL-RRQZXNHTSA-N 434.588 4.798 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC#N 1514035284 FJODGSKQUBVEBF-WMZOPIPTSA-N 432.975 4.740 30 10 IJEE C#CC[C@H](NC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C)c1ccccc1 1519778992 LGVFNXUFTXREBN-FQEVSTJZSA-N 439.437 4.571 30 10 IJEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 1521370458 FQOZBMPHIFNEGZ-QHCPKHFHSA-N 434.398 4.865 30 10 IJEE C#CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)[C@H]1CCOc2ccc(Br)cc21 1521818267 BFTURVQGQPEQDZ-IERDGZPVSA-N 442.353 4.937 30 10 IJEE C#C[C@@H](NC(=O)c1ccccc1OCc1cn2cc(C)ccc2n1)c1ccc(Cl)cc1 1525038946 PIVVGZSBOGXPBE-JOCHJYFZSA-N 429.907 4.979 30 10 IJEE C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cc2)CCC3)nn1 1532911711 KIJNOJYJLWNKKL-UHFFFAOYSA-N 426.929 4.541 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)C1 1534784502 IYTZOUSZONGLPP-HNNXBMFYSA-N 430.335 4.814 30 10 IJEE C=CCOc1cccc(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c1 1534958606 DBSTXGJAUNDMQV-UHFFFAOYSA-N 437.517 4.888 30 10 IJEE C=C(C)Cn1c(SCC(=O)NCC(C)(C)c2ccccc2Cl)nnc1-c1ccco1 1536981522 WCYOMRZOWUMATN-UHFFFAOYSA-N 444.988 4.954 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)c1ccccc1 1537448183 QCZIDQRHPOBQBQ-MUUNZHRXSA-N 435.336 4.736 30 10 IJEE C=C(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccc(F)c(F)c1 1538997098 PYYPZGHLWNVEDQ-JLTOFOAXSA-N 449.295 4.514 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccnc(SCC)c1 1539350400 KOWNNQJFVDBDPA-UHFFFAOYSA-N 443.523 4.561 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 1539710705 WYYILQCJHUGIGX-FQEVSTJZSA-N 444.366 4.725 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1539845805 BUOHUVCABDTGDG-MRXNPFEDSA-N 444.004 4.891 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H]2CCCN2CC)CC1 1539875376 XAMVWFHSNKKHLD-FYYLOGMGSA-N 437.632 4.922 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H]1c1nncn1C 1539926075 HNNYKLMPXXDQNG-NRFANRHFSA-N 433.604 4.526 30 10 IJEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1csc([C@H](C)OC)n1 1540051454 DTYJASXBUPFFLH-INIZCTEOSA-N 434.569 4.636 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCSC1(C)C 1540194559 SMJDHJWDUXWTNB-IBGZPJMESA-N 437.613 4.664 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)Cc1ccc(Br)o1 1540860001 DCQABGAQPZYLDC-UHFFFAOYSA-N 431.334 4.652 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCC[C@@H]2CC)C1 1540886852 KJVVGUAZZCBXKK-VXKWHMMOSA-N 444.023 4.644 30 10 IJEE C=C(CCC(=O)OC)C(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 1542779414 FMBDTAMHFHOGLG-UHFFFAOYSA-N 425.916 4.770 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 1556835824 GJVRNQACXJWGJH-QHCPKHFHSA-N 443.632 4.704 30 10 IJEE C#CCOc1ccccc1CNC(=O)N(C)[C@@H](CC)Cc1ccccc1Br 1564067778 QFQWLMBJCSVLDN-IBGZPJMESA-N 429.358 4.624 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 1567992501 YHUQUAJGUQXVKZ-YADHBBJMSA-N 443.632 4.653 30 10 IJEE C#Cc1ccc([C@H](OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C(F)(F)F)cc1 1587315848 XRURJHOFIREZTB-XLIONFOSSA-N 435.829 4.517 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)c1cccs1 1587580390 PHSDHKJTUTZQOT-SYJLOODJSA-N 440.638 4.559 30 10 IJEE C#CCCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1587783457 QWAGCLUBISUZIV-JOCHJYFZSA-N 426.630 4.855 30 10 IJEE C#CCCCn1c(C2CCCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1587851021 BHFXHXQVIFASPK-FQEVSTJZSA-N 430.499 4.528 30 10 IJEE C#CCSCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCCC(C)(C)C1 1589027836 VJXJPRTTWHMAQT-UHFFFAOYSA-N 442.629 4.734 30 10 IJEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1589096424 CMUGXZQHCSASLC-LJQANCHMSA-N 426.611 4.794 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1589207765 QEJWQKVHZWUUQI-RUZDIDTESA-N 434.588 4.506 30 10 IJEE C=C(Br)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@](C)(OC)C1 1589316364 AJDGSCHTBKJAFB-FQEVSTJZSA-N 431.334 4.605 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)OC(C)(C)C1 1589515804 SGEGOXDZUIVQPV-HLIPFELVSA-N 430.980 4.583 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C)[C@@H](OC)C1 1593718240 QQJBFFHLUNNKTD-KXBFYZLASA-N 439.387 4.706 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H]2CCN(CCC)C2)CC1 1594014279 QTFSANXZRQWJQF-XZOQPEGZSA-N 437.632 4.923 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1 1594455795 WDDJREKWDCZSSL-UHFFFAOYSA-N 431.382 4.768 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1594573775 YBIFQUBEQFCVLA-XLIONFOSSA-N 445.995 4.533 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1594886078 WCXUWWBZRDNCDP-KRWDZBQOSA-N 445.995 4.868 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CCCCC1)C1CC1 1595064962 DXQPKOQIMAAGNM-XMMPIXPASA-N 445.007 4.997 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1595157217 YOWNXDBDTNZWSC-KRWDZBQOSA-N 445.633 4.961 30 10 IJEE C#CCN(C(=O)c1ccc(OC)c(-c2ccccc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1596146875 FYHNPWOPZVLBMJ-UHFFFAOYSA-N 448.563 4.837 30 10 IJEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2nc(Cc3ccccc3F)no2)cc1 1597647546 CBMCHKDWRRTGDR-UHFFFAOYSA-N 446.413 4.533 30 10 IJEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 1598327000 GHSODVVSYWEGKU-JRQSSSKMSA-N 430.335 4.604 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 1611015934 CTLFHAXNEBXHPK-ZWKOTPCHSA-N 426.479 4.825 30 10 IJEE CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 1618803945 AGKFFHYDBAFYJP-REWPJTCUSA-N 426.900 4.856 30 10 IJEE C#CCC1(NCC(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)CCCCC1 1620612127 VSKFBQSPPHXZAP-DEOSSOPVSA-N 443.591 4.740 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)cc1 1623003073 BWMRSXYAWVMDHW-QGZVFWFLSA-N 449.942 4.656 30 10 IJEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 1628728705 BTEZPWYKVZHOPK-AREMUKBSSA-N 439.559 4.526 30 10 IJEE CCOC(=O)[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cccc(C)c1C 1634641692 IAPJKJVJOMYRLN-DEOSSOPVSA-N 427.504 4.953 30 10 IJEE C=CC[C@@H](CC)NC(=O)N1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1634783622 OYHYUQMNHOTMQE-QUCCMNQESA-N 443.588 4.934 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c2ccccc2c1 1638600696 GJTJNNHZDFHLPD-SFHVURJKSA-N 431.330 4.848 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 1638616061 BWZZPNWWVRMDON-MRXNPFEDSA-N 445.485 4.674 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)NCc3cc(F)c(C#N)c(F)c3)c2)cc1 1639271469 MIKZJVNTLZTCDK-UHFFFAOYSA-N 448.469 4.867 30 10 IJEE C#CCN(CC(=O)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1)C(=O)OC(C)(C)C 1639981772 ZISPEBLUDMXTIY-PMACEKPBSA-N 436.552 4.874 30 10 IJEE C=C[C@H](C)ONC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(OC)c1OC)CC2 1640634727 DQGAIIQESSPJPX-SCDSTIRESA-N 430.504 4.975 30 10 IJEE C=CCn1c(SCC/C=C/c2cncc(OC)c2)nnc1[C@@H]1COc2ccccc2O1 1643490611 CYGNREUTROJUAL-PVHVJQTOSA-N 436.537 4.576 30 10 IJEE C#CCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454724 NQBNQZIZRRKAHR-MRXNPFEDSA-N 438.490 4.827 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC/C=C\Cl 1646518052 RPMVTKTUEUDMQT-VNAOOCAESA-N 445.346 4.905 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)C2(CCC2)CC1 1648190847 FVEILYQZJBHNMM-UHFFFAOYSA-N 434.378 4.686 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1)c1ccccc1 1648461083 AATAKURAPBGKPX-HKBQPEDESA-N 436.533 4.913 30 10 IJEE Cc1c(C(=O)N2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2)sc2ccc(C#N)cc12 1651092151 FSWMJAFZAFFSRZ-UHFFFAOYSA-N 425.554 4.555 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(N[C@@H](C)Cc3cccc(Br)c3)c2c1 1651453479 HGPWFSSTHAWLAU-ZDUSSCGKSA-N 426.314 4.929 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)[C@H](C#N)c1ccccc1 1652469322 KMXKCHSNILUNHM-LJQANCHMSA-N 438.940 4.665 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1ccccc1 1654686090 ARBNIQDCPRVHLC-FCHUYYIVSA-N 447.000 4.572 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 1659391965 RBKRZKGNWSVYJK-PGRDOPGGSA-N 440.609 4.592 30 10 IJEE C#CCN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCCc2ccccc21 1660324311 SZBYKNREYLUJFH-QHCPKHFHSA-N 433.552 4.824 30 10 IJEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NC(Cc2ccccc2)Cc2ccccc2)n1 1660671844 BFJJZNBIZNWENO-UHFFFAOYSA-N 439.494 4.859 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc(Br)cc1Cl 1661929152 KAGMVTSBFJQMRC-UHFFFAOYSA-N 446.798 4.647 30 10 IJEE C[C@@H]1C[C@@H]1[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccc(Cl)cc1 1662140912 GGEBPIFWVFURTH-VZSAFFHGSA-N 439.762 4.650 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(Cc2ccccc2OCc2ccc(F)cc2F)CC1 1665479436 GIRTXXJFEKWMRW-UHFFFAOYSA-N 437.465 4.877 30 10 IJEE Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1673090288 BRMHEZPTHJAKJL-SECBINFHSA-N 426.336 4.901 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2SCCC(=O)OC)cc1 1673724099 NDONKGHNZLYMFM-UHFFFAOYSA-N 434.945 4.882 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC([C@@H](O)c4ccc(OCC)cc4)CC3)cc21 1674679671 ORPURRJWMVXROZ-DEOSSOPVSA-N 434.540 4.599 30 10 IJEE C=CCn1cc2ccc(NC(=O)N3CCCC[C@H]3[C@H](C)NC(=O)OC(C)(C)C)cc2n1 1675012942 MAYIUOKHBVMOAB-JXFKEZNVSA-N 427.549 4.522 30 10 IJEE C=CCCC1(CNC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCCC1 1683984421 ALDAOYNGQSJRMK-HXUWFJFHSA-N 441.620 4.954 30 10 IJEE C#C[C@H](NC(=O)NCC1(c2cccc(OC)c2)CCCC1)c1ccc(Br)cc1 1684292723 QZWAONOOBXWOAV-NRFANRHFSA-N 441.369 4.943 30 10 IJEE C=CCCC(C)(C)CNC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 1685062158 FFKSCPFHTGQING-JOCHJYFZSA-N 428.598 4.780 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(OCCN2C[C@@H](C)[C@H](C)C2)cc1 1685932453 WOAYMOBQKWBINB-VLOWTAQSSA-N 427.633 4.630 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1687838070 DBEIERCODQNNHO-FQEVSTJZSA-N 445.604 4.820 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccccc1C(F)(F)F 1689840403 YVFUXUKDYXKFBR-AWEZNQCLSA-N 433.865 4.713 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCCC1(F)F 1690085828 HCYZZBQLSBBOKA-QGZVFWFLSA-N 434.556 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@H](CC)Oc1cccc(F)c1 1690209052 INDHMUUHDKKNDW-GBXCKJPGSA-N 438.572 4.919 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690247841 HCTCEGSOSHFXKS-JUXOCIIHSA-N 445.007 4.507 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(Br)ccc2OC)CC1 1690368617 FEGWSOLWNJUVNO-UHFFFAOYSA-N 443.345 4.822 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](OC)C2CC2)CC1 1690404470 FGJDQEDHFIIDKE-FQEVSTJZSA-N 445.405 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690422730 YPNHHKNUEILCKZ-MWTRTKDXSA-N 448.970 4.724 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690430909 WTBLJLRISJXMFO-RTBURBONSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCC(C(F)(F)F)CC1 1690524391 ISFBRTGYTHFTOD-UHFFFAOYSA-N 446.477 4.585 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1690605690 UCJITBFLDRBHQZ-UUOWRZLLSA-N 440.975 4.978 30 10 IJEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690633416 YEPRANUKFOGQEC-FQEVSTJZSA-N 439.604 4.874 30 10 IJEE C[C@@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1693624810 HGVOOOSDEQZDAB-DPLHUUCSSA-N 434.632 4.954 30 10 IJEE CCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1695193420 CLFZHXJRSCSCTF-NFBKMPQASA-N 439.604 4.806 30 10 IJEE CCSc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@](C)(C#N)C2)c1 1696534150 AXVYJAXJFCHPEI-NFBKMPQASA-N 425.602 4.810 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCNc1ccccn1 1705505559 LQYGRRKXLSZFDP-QGZVFWFLSA-N 441.004 4.579 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N(C)CCCC 1705702214 FOWYDARTSAWUEB-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)C1CCCCC1 1705702986 PZQMXVGVIUCHSE-SBUREZEXSA-N 430.543 4.897 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1705729168 NTGMUUCZFPKYQT-NNMXDRDESA-N 441.595 4.627 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccccc1Cl 1705869833 GNXANUMHNDPOAL-UHFFFAOYSA-N 446.780 4.926 30 10 IJEE C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCC[C@H]21 1705949890 MEZKDCSDFCUSFO-QRVBRYPASA-N 447.649 4.648 30 10 IJEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1722403514 UVEDJKZFIYCPIK-IEBWSBKVSA-N 447.505 4.900 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1C(F)(F)C12CCC2 1722406595 ZFMBXHXQFCOEOO-INIZCTEOSA-N 435.316 4.603 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CC1CCC(F)(F)CC1 1722474982 UHJHNBNUVXJUSW-HSZRJFAPSA-N 428.527 4.717 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CC(F)C1 1722490733 CJMSRUHWFVGKCW-NORDNJSLSA-N 446.542 4.723 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722512035 UYYGLASNJAMLKI-FDDCHVKYSA-N 431.028 4.906 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1C[C@H](F)c1ccc(Br)cc1 1722518112 UTXPLJYKJRGANE-AEFFLSMTSA-N 437.357 4.658 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1722520208 YEGCDVHTBVXUAB-NRSPTQNISA-N 439.604 4.746 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1722576271 DQCLTCPOYYRCTI-GOSISDBHSA-N 443.567 4.790 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2OCC)CC1 1722586672 NWOKCTUXZUQFFR-UHFFFAOYSA-N 446.599 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722588599 AYOFUTYVPLCEEQ-QFIPXVFZSA-N 432.616 4.783 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722644544 FURMLYTZMPPCHS-XRXFAXGQSA-N 431.669 4.575 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC[C@H](F)C1 1722673905 JCCVFVIHKLYSEB-ROUUACIJSA-N 429.565 4.600 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1726661777 DGGNIDBBTIFXAB-MAUKXSAKSA-N 435.494 4.655 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(C)C)C1 1740586446 BCKUPBFEBWVMLW-QGZVFWFLSA-N 431.378 4.612 30 10 IJEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)c1ccccc1 1740596431 FLVTVKRDHDAYRC-FPOVZHCZSA-N 437.588 4.961 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CC12CCOCC2 1740648336 IXSDFUMKIKRDGE-QGZVFWFLSA-N 443.378 4.532 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740672646 OLGFXYWDBXSVOI-OALUTQOASA-N 434.506 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCO[C@H]1C(=C)C 1740728287 UCSNMJXUPWGZPC-NIJIEXERSA-N 428.939 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC(C)(C)C1 1740754284 DGZFVIFQWDKYHH-XLIONFOSSA-N 445.007 4.974 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)Cc1cccc(Br)c1 1740761395 NKBGUOSPCPRDSO-ICSRJNTNSA-N 445.405 4.926 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2scnc2C)CC1 1740829138 MAAKMDYNIKUALH-UHFFFAOYSA-N 429.977 4.675 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1740833650 VEJASSPGNBBXJH-HBFSDRIKSA-N 431.625 4.840 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740852743 RGMBPSFFCRQRCA-CADBVGFASA-N 431.625 4.743 30 10 IJEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](c2cccnc2)C(C)C)c1 1748921780 CKPQOUMMTQTJOQ-OZXSUGGESA-N 444.583 4.919 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCN(C)C(C)C 1749149229 WSLLWKQBFDGKII-UHFFFAOYSA-N 438.389 4.589 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(F)(F)CC1 1749212899 AQKOKSYYTBBAPN-LJQANCHMSA-N 434.531 4.863 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)CN2CCCCC2)CC1 1749312505 LEKIABQOWOIOAL-NRFANRHFSA-N 437.632 4.752 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1749373819 VRIAXBMYRSHUES-OAQYLSRUSA-N 436.579 4.875 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749391482 PPOAKRWYVJRMBA-JQVVWYNYSA-N 428.552 4.919 30 10 IJEE C=CCCCCn1c(CC2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1749403717 ITJFWYCBJHAELG-SFHVURJKSA-N 431.625 4.717 30 10 IJEE C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1749606193 ORUUERYAPXYGAP-RTWAWAEBSA-N 441.595 4.836 30 10 IJEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)C1CCCCC1 1749761933 JKEWYDLUGRWROQ-IBGZPJMESA-N 438.645 4.841 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)OC(C)(C)C1 1760132317 HDFBNMVXMSNBJV-ROUUACIJSA-N 426.630 4.939 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(Br)o1 1760162055 XFRAZBZVDGUGGF-SJLPKXTDSA-N 449.393 4.602 30 10 IJEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2ccccc21 1760162299 QDPDUNFPXWHEIB-HXUWFJFHSA-N 435.572 4.500 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC[C@@H]1CCO[C@@H](C)C1 1760298825 WMPQBOHKHJXAGM-VVZHRXSXSA-N 436.600 4.671 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CCC(F)F 1760326901 ZELYYIQEKOCEDE-FOIQADDNSA-N 440.922 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1CCN1CCC[C@@H](C)C1 1760331744 LXXHWURRCLVOJJ-GOSISDBHSA-N 446.437 4.842 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1760342319 GSIONTJLQNRALJ-HKUYNNGSSA-N 429.996 4.696 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 1760357264 AOBIYQOKDAJYNO-UHFFFAOYSA-N 432.996 4.509 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1760390307 CNAMDGMEXZOZET-NHCUHLMSSA-N 439.623 4.921 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)c1ccccc1 1760420597 RIKCXUYCDWTFHY-GGAORHGYSA-N 438.616 4.611 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1760421860 CEJOAQXYEFWOOQ-UHFFFAOYSA-N 429.572 4.836 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760443311 FIJSRTOTXGRFDE-FQEVSTJZSA-N 426.630 4.976 30 10 IJEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(Cl)s1)C1CC1 1760476386 QJRJHTXZJKOBJJ-UHFFFAOYSA-N 425.945 4.647 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760491597 MYUPNDSRKSGQOU-UHFFFAOYSA-N 439.604 4.989 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cccs1 1760498089 DKOQPYKGJGGTRP-UHFFFAOYSA-N 435.509 4.791 30 10 IJEE C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 1762706002 AHAIOLSKSIEABA-UMEGOILYSA-N 426.653 4.822 30 10 IJEE CCC[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1763755013 IAQXVHVXZZJQAO-OAQYLSRUSA-N 434.009 4.515 30 10 IJEE CCCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC(F)(F)C2)cc1OC 1766269527 FZRQDHMHDYLTMU-SJORKVTESA-N 447.530 4.916 30 10 IJEE CN(CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC#N)CC1)C1CCCC1 1767346859 BELCXUJQBBWCNE-UHFFFAOYSA-N 426.996 4.603 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1C[C@H]1CCC(F)(F)C1 1771099822 BHBSZFJDFYNUIO-IBGZPJMESA-N 429.515 4.506 30 10 IJEE COc1cccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)nn2Cc2ccc(F)cc2)c1 1859404306 SEZMAQUWOHJWHE-UHFFFAOYSA-N 426.451 4.870 30 10 IJEE N#Cc1ccc(NC(=O)c2nn(-c3ccccn3)c(-c3cccc([N+](=O)[O-])c3)c2Cl)cc1 1859413780 HIDZXCSOSPDRPE-UHFFFAOYSA-N 444.838 4.620 30 10 IJEE COc1ccc2c(=O)c(-c3ccccc3OC)c(C(=O)Nc3oc(C)c(C)c3C#N)oc2c1 1859760800 RKNRZFBAVOKPSO-UHFFFAOYSA-N 444.443 4.811 30 10 IJEE CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1cccc(Cl)c1 1862432633 JHGOSANRFLCREF-LJQANCHMSA-N 433.335 4.523 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1Cl 1862436113 LYAKOPLIFQJJGX-LJQANCHMSA-N 438.823 4.620 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@@H](C)O)cc1 1862581720 ODXISWGLEAAQGF-BLVKFPJESA-N 434.319 4.515 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 1862621050 HMTYKJVELAZNQZ-QMHKHESXSA-N 427.456 4.755 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1C(=O)O 1862650995 IOFZGORGTPIHSJ-QRQCRPRQSA-N 429.472 4.915 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1cc(Cl)c(O)c(OC)c1 1862670731 AXHDYCFJMJFXHR-HXUWFJFHSA-N 441.911 4.942 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1862678227 LVIWQYVZQNYULR-NYHFZMIOSA-N 445.446 4.863 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2F)cc1 1862689661 WHKJNJTYMZPROM-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CCCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1 1862763434 NTAOPWPUICPLES-UHFFFAOYSA-N 441.462 4.883 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(F)cc2Cl)C1=O 1862774973 YMWPPXNYVJMAJU-UHFFFAOYSA-N 435.817 4.886 30 10 IJEE CC(C)Oc1ccc(NC2=C(c3ccccc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862927667 ZOTAQQSYQLNLAN-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N([C@H](C)c3ccccc3)C2=O)cc1 1863211339 MKQSPNCGDNBPBP-GOSISDBHSA-N 437.499 4.910 30 10 IJEE CC(C)C[C@H](C(=O)N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Br)c1 1867196886 DMPFSJKGIJNCGO-QRWLVFNGSA-N 442.357 4.594 30 10 IJEE C=CCN(CC=C)c1cc(N2CCN(c3ccccc3F)CC2)nc(-c2ccc(F)cc2)n1 1867984583 FNDANDKYFHLTRE-UHFFFAOYSA-N 447.533 4.927 30 10 IJEE COc1cccc(-c2nc(Nc3cccc(C#N)c3)cc(N3CCc4nc[nH]c4[C@H]3C)n2)c1 1868495209 GNTSZONXCAMDIP-MRXNPFEDSA-N 437.507 4.614 30 10 IJEE CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C#N)nnn2-c2cccc(C(C)(C)C)c2)cc1 1870146011 ZXEVFIAMTAAFTI-QGZVFWFLSA-N 431.540 4.966 30 10 IJEE C#CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(OC)c(Cl)c2)cc1=O 1871004458 GFICCWBIIHXCLF-UHFFFAOYSA-N 436.939 4.686 30 10 IJEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CNc2ccc(Cl)cc2)cc1=O 1871007567 IPKYDEDROJFYLO-JOCHJYFZSA-N 443.330 4.513 30 10 IJEE C#CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(C(C)(C)C)cc2)cc1=O 1871007701 OPJXQBOWAAFEBS-UHFFFAOYSA-N 435.612 4.646 30 10 IJEE CCN(CC)CCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)C1 1871354874 FTTVYGRLRLGLCU-HAHDFKILSA-N 436.552 4.504 30 10 IJEE Cc1cc(OCCN2CCOCC2)cc2c1C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 1871449546 PYRTWCURCHERFO-MOSHPQCFSA-N 434.319 4.629 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccc(OC)cc1C)S(=O)(=O)c1ccc(F)cc1 1872569314 XSNGWJHNDUILOX-JOCHJYFZSA-N 448.560 4.517 30 10 IJEE COc1ccc(/C=C/C(=O)[C@@H](C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(OC)c1 1872779455 KHIBBYSALQOPON-CDVVCGDMSA-N 426.444 4.995 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1C 1872782107 DKIWWDMPQSKRFA-HXUWFJFHSA-N 443.528 4.921 30 10 IJEE Cc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873306220 BVZZTOOPJGFMRX-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(NCc3ccccc3C)ncnc21 1873619045 VKTFXXXWMLHGJX-UHFFFAOYSA-N 437.507 4.666 30 10 IJEE CCCSc1nnc(COc2ccc(OC)cc2C(C)(C)C)n1/N=C/c1ccncc1 1874195520 SCRJMWPYOOQVHD-MFKUBSTISA-N 439.585 4.943 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3cccs3)n2/N=C/c2ccccc2)o1 1874422453 NCFIQKKLEWRWGS-LPYMAVHISA-N 438.534 4.951 30 10 IJEE CC(C)c1ccc(/C=N/n2c(SCC(=O)Nc3ccccc3)nnc2[C@H]2CCCO2)cc1 1874443381 AMUYCHUYKJOZKB-JAMLUQCHSA-N 449.580 4.866 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cccc(Cl)c3)nnc2[C@@H]2CCCO2)cc1O 1874450480 CIDYJSHLUVXVTN-DOUQRPAJSA-N 444.944 4.672 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCCC3)n2/N=C/c2ccccc2O)c1 1874452779 MOJUAAYZDBNKIT-ZVHZXABRSA-N 435.553 4.563 30 10 IJEE Cc1ccc(/C=N/n2c(CC(C)C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 1874488127 YKIJTQDYZDXZMY-ZMOGYAJESA-N 425.533 4.537 30 10 IJEE CCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1/N=C/c1ccc(F)cc1F 1874505043 NZRAEHLIRBHISD-BRJLIKDPSA-N 443.523 4.739 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2CCc2cccc3ccccc23)cc(OC)c1O 1874567852 UUQQFOKKQUSEDJ-MFKUBSTISA-N 448.548 4.500 30 10 IJEE CCCOC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c(C)c1 1874574126 WKUUEBJZLTXFCV-VMPITWQZSA-N 447.325 4.994 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1OCC(=O)N[C@H](C)c1ccccc1 1874594580 RMXCBHABQODBCB-OCKXMSAZSA-N 445.515 4.856 30 10 IJEE CCCNC(=O)COc1c(Br)cc(/C=C/C(=O)c2ccc(C)cc2)cc1OC 1874616486 CNSHEPUMQGVHDA-JXMROGBWSA-N 446.341 4.567 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc(F)cc1F 1874698017 HEILLVGBVQKXAJ-WTDSWWLTSA-N 439.370 4.997 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(OC)c1OC(=O)[C@H]1CCCO1 1875122157 GOCKMAYEFUVCKK-TYOLEZHBSA-N 428.431 4.682 30 10 IJEE O=C(c1cc(F)c(F)c(F)c1F)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1891852589 FQQKTMZTZMJGCO-UHFFFAOYSA-N 436.327 4.588 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCCC2 1949588451 CAUQAPRHICPAEI-OAQYLSRUSA-N 434.541 4.750 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(C#N)N(Cc1ccccc1)C(=O)OC(C)(C)C 1953197754 HGYMGQKEXOQUEN-HOYKHHGWSA-N 429.561 4.963 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 1990169359 JMKOFOOZEOFPJT-LEWJYISDSA-N 434.646 4.869 30 10 IJEE C=CCC1(Nc2nc(Cl)nc(Cl)c2Br)CN(C(=O)OC(C)(C)C)C1 1999030936 XFYFXDQXKHVXIW-UHFFFAOYSA-N 438.153 4.523 30 10 IJEE N#Cc1cc(Br)cc(NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)c1 2043966593 GGJIWHWCSSXRAF-UHFFFAOYSA-N 446.320 4.874 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2CCCC[C@H]21 2058935641 WMPIFZFNDSAOBZ-JKSBSHDWSA-N 448.568 4.996 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1)c1cccc(Br)c1 2072717450 ILPRVLWBBMTRRK-LJQANCHMSA-N 438.277 4.821 30 10 IJEE CCOC(=O)c1c(C(F)(F)F)nn2c(Cl)cc(-c3cc(F)c(F)c(F)c3F)nc12 2081265009 MJEQYVDCXTVCRH-UHFFFAOYSA-N 441.690 4.802 30 10 IJEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)[C@H](NC(=O)OC(C)(C)C)COC2(C)C)c1 2081890265 OAURZLRIZVSHKP-HOYKHHGWSA-N 445.560 4.701 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1nc(CCC)[nH]c1Br 2087656408 YHJFCIMEDGOMHO-ZFWWWQNUSA-N 429.403 4.635 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1 2124521898 MHIATZSLECWNAL-UHFFFAOYSA-N 438.333 4.585 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CCN(Cc2ccccc2)CC(C)(C)C1 2150464602 GFXXBUMASUZTKW-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(C)c(Br)c1)NCCC 2159128031 NGQOMXSESYAZRD-PMACEKPBSA-N 437.422 4.975 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(F)c2C#N)C[C@@H]1CC(F)F 2177298994 WYCVUOWIDHOKDH-LBPRGKRZSA-N 448.283 4.541 30 10 IJEE C=C(COCc1ccccc1)[C@H](C[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C)NCCC 2217949160 QVPBSKGCYOONJA-PKTZIBPZSA-N 446.632 4.932 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC23CC3)c1 2220824483 AXFIPZRAVYPQRQ-DEOSSOPVSA-N 443.544 4.730 30 10 IJEE CC(C)(C)OC(=O)N(c1cccc(Br)c1)[C@]1(C#N)CCC[C@H]2CNCC[C@H]21 2233794940 MQCFJCBVSIGECK-KLHJMIIUSA-N 434.378 4.863 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C1(CNC(=O)OC(C)(C)C)CCCCC1 2235724524 IKGLVVKHEJJNBV-LJQANCHMSA-N 435.406 4.864 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2242587806 SRGPMVDSSZGOPC-OAQYLSRUSA-N 443.385 4.826 30 10 IJEE C=C(COCc1ccccc1)[C@@H](OCC(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1 2251929724 GWDJHTVCIYBHKB-JOCHJYFZSA-N 427.497 4.949 30 10 IJEE Cc1cc(NC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(C)c1C#N 2254635269 MECSZFVPLPWCHB-OAQYLSRUSA-N 437.540 4.614 30 10 IJEE CC1(C)OB(c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cs2)OC1(C)C 2255703933 ZVAUKUMAZCWHFY-UHFFFAOYSA-N 435.354 4.879 30 10 IJEE CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1C 2258085656 HSMJLSHPMFLTCL-GOSISDBHSA-N 425.353 4.874 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)cc(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)c1 2267819913 SLVKEFHZFDSYMA-UHFFFAOYSA-N 439.365 4.967 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(F)cc(Br)c1F 2272721857 MTCIIPMVAXEKOP-NVXWUHKLSA-N 431.321 4.685 30 10 IJEE CC(C)(C)OC(=O)Nc1ncc(CCC(=O)C#Cc2ccc(Br)cc2)s1 2278744174 OCKQCEYLTPQUCR-UHFFFAOYSA-N 435.343 4.806 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)c1ccccc1I 2296251991 TVOZWFTVOMCWCY-QGZVFWFLSA-N 440.122 4.756 30 10 IJEE CC(C)Oc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 2296775195 ZPAVAXIBKZURSV-QFIPXVFZSA-N 432.451 4.634 30 10 IJEE CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=Nc1ccccc1C(=O)O 2314927885 MTEDRJBZRCLLIQ-UHFFFAOYSA-N 431.311 4.771 30 10 IJEE CC(C)N(CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2317353800 KHEYJVYCTXPKEP-UHFFFAOYSA-N 432.370 4.751 30 10 IJEE CCOC(=O)Cc1csc(NN=Cc2cc(Cl)c(OC(C)C)c(OCC)c2)n1 2318418244 UQKSXYJNKLYTEO-UHFFFAOYSA-N 425.938 4.534 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2323075974 FVMGLEMLPLJTKC-UHFFFAOYSA-N 446.455 4.695 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCc3nc(O)c4ccccc4n3)c2)cc1 2323094340 GHEXHPGUZAMBIB-UHFFFAOYSA-N 442.471 4.828 30 10 IJEE CCOc1cc(C=CC(=O)c2cccc(OC)c2)ccc1OCC(=O)NCc1ccccc1 2323503709 YGXUIULLONLYMO-UHFFFAOYSA-N 445.515 4.685 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(Br)c(OCCCO)c(OC)c2)cc1 2323839828 FDBWUKWWWHZDFX-UHFFFAOYSA-N 435.314 4.514 30 10 IJEE Cc1ccc(NC(=O)COc2ccc(C=CC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 2324186143 IYLBDZGIHAZTTM-UHFFFAOYSA-N 434.423 4.956 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(C)c(Cl)cc2OC)cc1OC 2324521952 XIIZHZYKDUHEIE-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE COc1ccc(C=C(C(=O)Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccccc2)cc1OC 2325384993 OUCLGKPOKUCSGT-UHFFFAOYSA-N 429.432 4.663 30 10 IJEE O=C(CCOc1ccc2c(c1)OC(=Cc1ccc([N+](=O)[O-])cc1)C2=O)Nc1ccccc1 2325477177 GNUOJJDVSXUJBE-UHFFFAOYSA-N 430.416 4.619 30 10 IJEE CCc1ccc(C=C2Oc3cc(OCC(=O)Nc4cccc(OC)c4)ccc3C2=O)cc1 2325572046 GWYPNSLYKBEWGF-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2F)n1N=Cc1ccccn1 2328689861 NYMYLXAYJAMLNC-UHFFFAOYSA-N 447.539 4.781 30 10 IJEE Cc1cccc(CSc2nnc(COCc3ccccc3)n2N=Cc2ccccn2)c1 2329316930 GKYFOPQTBXQPSX-UHFFFAOYSA-N 429.549 4.873 30 10 IJEE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=NNC(=S)NCc1ccco1 2330458152 WJIPISIWBFOGQK-UHFFFAOYSA-N 443.882 4.721 30 10 IJEE COc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 2330734589 WXQFNZBVDHRIIY-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccccc1C=Nn1c(SCc2ccc(Cl)cc2)nnc1[C@H]1CCCO1 2330990077 FBOBZTXHEAXIJK-LJQANCHMSA-N 428.945 4.966 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc(Cl)c1OC(=O)COCCOC 2331279297 GOKYLZMXFJHEAH-UHFFFAOYSA-N 432.900 4.512 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1 2331403957 WLTKWSJOTRKBFL-UHFFFAOYSA-N 430.456 4.972 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1N=Cc1cccs1 2331432189 ZWOLEOQSNMNFCG-UHFFFAOYSA-N 427.599 4.714 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C2CCC2)c1 2331484612 SYZCWWCBNNAEHC-UHFFFAOYSA-N 435.553 4.557 30 10 IJEE O=C(CSc1nnc(C2CCC2)n1N=Cc1c[nH]c2ccccc12)Nc1ccc(F)cc1 2331493288 RRGDJWHXEBDRSL-UHFFFAOYSA-N 448.527 4.779 30 10 IJEE CC1(C)C(=O)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1N1CCSCC1 15729239 CVICODROVQVXJF-CYSAALDASA-N 437.653 4.844 30 10 IJEE COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)c(Br)c2)c1 20886099 XIJULNQAXDZVSZ-GDBMZVCRSA-N 444.300 4.601 30 10 IJEE O=C(/C=C\c1ccco1)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 35060181 FVETYHHLGBKZLZ-AXKGWLQCSA-N 442.298 4.993 30 10 IJEE C=CCc1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc(OCC)c1O 38187777 QNQCORWWTYWJOU-LICLKQGHSA-N 440.883 4.988 30 10 IJEE CCCCCCn1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c(C#N)c1=O 39870677 NSGAVVUXPVXLGW-QURGRASLSA-N 428.405 4.546 30 10 IJEE O=C(/N=C(/NC[C@@H]1CCCO1)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 46130714 OLXDCANONDRSLF-KRWDZBQOSA-N 425.838 4.736 30 10 IJEE C#CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1Cl 101512663 VMQGOVQCBIFVAR-XDHOZWIPSA-N 429.950 4.762 30 10 IJEE CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N\CCc1ccccc1 102153683 XFXMNZFKJKCVGM-WFAAQJSFSA-N 425.579 4.600 30 10 IJEE O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2Cl)/C1=C(/O)c1ccc(Cl)cc1 102523186 WOPTWPFWTIOJOD-CQMUMHJZSA-N 432.303 4.594 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@@H]2c2ccc(C)o2)cc1 170101558 DVOAJJATVZYYSK-QHCPKHFHSA-N 445.471 4.705 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1sccc1C 170107320 YMSIOXCPZMAFNS-FQEVSTJZSA-N 438.549 4.723 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(C)c2)cc1Cl 170144975 OEVUXYBWOAOWQC-JOCHJYFZSA-N 448.906 4.831 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccncc2)ccc1Br 170203262 HZJPQYPPGXHZQI-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(OCC(C)C)c1 170219015 OYMRBOUUCNYXFG-OAQYLSRUSA-N 438.480 4.618 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccc(F)c(F)c2)[C@H]1c1ccccc1 170223265 FUXYELPGQGLLIP-NRFANRHFSA-N 439.389 4.895 30 10 IJEE Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccco1 170288750 OOCPEGREALJIPK-HXUWFJFHSA-N 437.835 4.753 30 10 IJEE Cc1ccsc1[C@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1C[C@@H]1CCCO1 170315760 HIYUXLAQPFWDPI-AZUAARDMSA-N 441.549 4.601 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1 170422367 RJZCHBIBKGGZML-XMMPIXPASA-N 442.515 4.992 30 10 IJEE C=CCOC(=O)C1=C(C)N=C2N=C(SCc3ccccc3)NN2[C@H]1/C=C\c1ccccc1 207302140 NVTMEYPLDLJNJZ-NALLFNBYSA-N 444.560 4.551 30 10 IJEE COCCN=c1scc(-c2ccc(C)c(C)c2)n1N=C(C)c1ccc(-n2ccnc2)cc1 254705067 MOMUGFHAOHTMHF-UHFFFAOYSA-N 445.592 4.839 30 10 IJEE Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 441995068 DPHZMENLEBTIQD-SFHVURJKSA-N 445.494 4.826 30 10 IJEE C[C@H](Cc1ccc(O)cc1)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 461318665 NJOBFWGMHVULHY-QGZVFWFLSA-N 429.549 4.700 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)c(C#N)c2)c1 462401303 JITODBRBHSMKEH-UHFFFAOYSA-N 425.872 4.618 30 10 IJEE C=CC[C@H](CO)NC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F 482344325 JLJNWKYELOMLQT-NEPJUHHUSA-N 438.290 4.564 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)nnc1-c1ccco1 482520139 QPXPABTVNWFFAI-SJORKVTESA-N 426.542 4.799 30 10 IJEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 490043473 KTDUGPQLTZLZEC-RUZDIDTESA-N 448.482 4.590 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 508702021 XZXYMBIIGZWAEC-NRFANRHFSA-N 434.588 4.821 30 10 IJEE C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508846356 GHRKJOHTHFLURB-GOSISDBHSA-N 438.601 4.955 30 10 IJEE N#C[C@H](C(=O)c1cc2c(nc1O)CCCC2=O)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 515542438 NUGUWXBIRMFHKJ-QBEITHOYSA-N 447.560 4.721 30 10 IJEE O=C(O)c1ccc(/C=N\n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1 526800456 QXNXFFFDXGKXKB-XYGWBWBKSA-N 428.517 4.742 30 10 IJEE O=C(N[C@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C1)c1cc(Cl)cc(Cl)c1 585853286 RWTQPWAAFQKLCL-YROIDETFSA-N 437.754 4.780 30 10 IJEE COc1ccc(OC)c(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc(C)c(C)c2)c1 586209495 NAGCRAKZLNRCHZ-UHFFFAOYSA-N 436.533 4.588 30 10 IJEE O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(O)nc2ccc(Br)cc12 606168429 VMHJKCANZBVLOB-UHFFFAOYSA-N 444.288 4.750 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1-c1cccnc1 623014766 HPMQPYCRPJHVBX-JKSUJKDBSA-N 433.537 4.630 30 10 IJEE CCCCCCCNS(=O)(=O)c1cc(Br)c(C)cc1Br 705841472 SCHDIZOGQMBPOG-UHFFFAOYSA-N 427.202 4.769 30 10 IJEE C=C(Br)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 726163243 VFNSKROFJOMNEI-TYPHKJRUSA-N 441.369 4.638 30 10 IJEE Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C1CCN(c2nc3ccccc3s2)CC1 727628399 IUFYIXCEHDASHZ-SFHVURJKSA-N 442.544 4.894 30 10 IJEE C/C(=C\C(=O)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc([N+](=O)[O-])cc1 752355387 QWWSOBIHYGJAIE-MDJJKAFGSA-N 439.493 4.574 30 10 IJEE CCOc1cccc(NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cc(O)ccc2C)c1 762439882 PFIFYSGUHIUNIX-UHFFFAOYSA-O 432.525 4.582 30 10 IJEE C#CCN(Cc1cnc(-c2ccccn2)s1)[C@@H]1CCOc2ccc(Br)cc21 769403718 IYKCDJPRLCJWGI-LJQANCHMSA-N 440.366 4.927 30 10 IJEE N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 780308843 DMLWZARZJVTBNK-NSHDSACASA-N 435.814 4.842 30 10 IJEE CO/C=C/C(=O)[C@]12OC(C)(C)O[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1081829597 UGKGVXHSBYBMPT-JOGDKXCVSA-N 430.585 4.540 30 10 IJEE C#CC1CCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)CC1 1130299419 IPAXBHFJUDAWMD-UHFFFAOYSA-N 431.792 4.665 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC 1131105879 MYVKUDOELHPMPY-CVDCTZTESA-N 446.547 4.746 30 10 IJEE C=C1CCC(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1 1133320480 MMZHFAAHNMQCCU-UHFFFAOYSA-N 444.984 4.568 30 10 IJEE C[C@H](C#N)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1136816440 GGKPLWMEYYCPDU-CJAUYULYSA-N 439.515 4.542 30 10 IJEE O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cnc(O)c(C(F)(F)F)c1 1137621340 RJHXIUXCVAPKOD-UHFFFAOYSA-N 440.250 4.589 30 10 IJEE C=CCn1c(S[C@@H](C)c2n[nH]c(CC)n2)nc2scc(-c3cccs3)c2c1=O 1164509894 OANQWJUJEPXERN-NSHDSACASA-N 429.596 4.906 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1nc(Cc2ccc(F)cc2)nc1Cl 1190128181 FTNHZCIHMFXOKF-AWEZNQCLSA-N 443.935 4.694 30 10 IJEE CC(C)c1nc([C@H]2CCCCN2CC(=O)Nc2ccccc2SC[C@@H](C)C#N)no1 1191380927 DEPIVTJMNSFOGV-FUHWJXTLSA-N 427.574 4.610 30 10 IJEE C[C@@H](CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)OC(C)(C)C 1201225756 BCBIXEDIJCSAFP-HNNXBMFYSA-N 427.476 4.931 30 10 IJEE C#CCN(C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)[C@H]1CCOc2ccc(Br)cc21 1210577204 JCBLCUPSQTYONZ-SFHVURJKSA-N 444.285 4.657 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 1218892077 OCOWOUJQZBYKBT-LJQANCHMSA-N 430.508 4.542 30 10 IJEE CCCOc1ccc(Oc2ncccc2CNC(=O)NCCc2ccc(C#N)cc2)cc1 1220765036 GFQPJFNSVWYZKN-UHFFFAOYSA-N 430.508 4.576 30 10 IJEE C=CCc1cc(CNC(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)cc(OC)c1OC 1225350552 MNFDGDHMZRCDSW-LJQANCHMSA-N 428.504 4.673 30 10 IJEE C#Cc1ccc(CNC(=O)N2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)cc1 1228655712 NAOYDLXWRMOWIM-FQEVSTJZSA-N 431.561 4.889 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccccc2I)cc1 1269744051 CZAIRCWUTFFXBI-UHFFFAOYSA-N 435.261 4.553 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)O[C@@H]2CCc3cc(Br)cnc32)cc1OC 1274606379 LOGYIKCYAGILDZ-JIGZGPPQSA-N 430.298 4.661 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1nccs1 1286279215 KKOZTPUHUZFFEM-HZPDHXFCSA-N 425.627 4.994 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1 1286314966 AODKJZTVWHHTFM-RXVVDRJESA-N 430.593 4.939 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[C@@H]1CCCCO1 1286528350 XRPDDBNIPBSENB-BKMJKUGQSA-N 436.600 4.815 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1286569186 GVEKHXRQUOMCHC-LJQANCHMSA-N 443.592 4.896 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1286640151 GRWXQTTVTVYORW-ICSRJNTNSA-N 429.996 4.991 30 10 IJEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(CN(C)C(C)C)CC1 1286703247 GRUVELLBMAKEJP-UHFFFAOYSA-N 434.632 4.804 30 10 IJEE C=CCCCn1c(N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)nnc1C(C)(C)C 1286707256 ZLMTUMYEPIZEQF-SFHVURJKSA-N 427.593 4.640 30 10 IJEE C=CCN(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1286724590 PJZLCVBLVOSZFO-XUZZJYLKSA-N 435.641 4.944 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccncc1Cl 1286754824 VILPLABDGKWYOQ-MRXNPFEDSA-N 427.911 4.832 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC1(SC)CCC1 1286762698 JWKSCIVRXQMTBK-OAQYLSRUSA-N 426.630 4.693 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(C(F)(F)F)CC2)cc1 1286794279 BNIQXEVFXAJTOM-UHFFFAOYSA-N 443.473 4.732 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(Br)s2)C1 1286800568 MYWQKVGDGUIKPC-LSDHHAIUSA-N 439.423 4.640 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)c2cccs2)C1 1286803636 FJJYFIFMIHPOIR-GOSISDBHSA-N 438.597 4.774 30 10 IJEE C=CCSCCn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1 1286833908 UHOOYERMGYXZJJ-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1)c1ccccc1 1290683401 MRGZSWJRWFUMGB-HSZRJFAPSA-N 430.552 4.521 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 1292314041 VNHCTZNKEPZOJU-OAHLLOKOSA-N 425.316 4.500 30 10 IJEE C#CCN(C(=O)c1csc2c1CCCC2)[C@@H]1CCOc2ccc(Br)cc21 1293513583 KOYSZECUWHGNDR-GOSISDBHSA-N 430.367 4.989 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCc1cccc(F)c1 1300817682 WNPOHKQRENYEDL-XLGIIRLISA-N 438.591 4.961 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCSC(C)(C)C1 1300894871 IYSJCKRNXFKSJL-MTQWCTHYSA-N 448.677 4.510 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300928627 JULZAPXHMOXVGT-PZJWPPBQSA-N 434.588 4.858 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOC2(CCCCC2)C1 1300939207 SBZWEABFUKAGGO-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCN2CCCC[C@H]2C)CC1 1300944992 MOBRULBYDLLMIX-OAQYLSRUSA-N 432.616 4.874 30 10 IJEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCCC)CC[C@H]2C)nnc1C1(c2ccccc2)CCC1 1300965663 VGTLTOWXHHBSQI-FGZHOGPDSA-N 449.643 4.845 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](c2ccco2)C1 1300981105 YQWYLOJCPYXQTM-HXUWFJFHSA-N 446.910 4.501 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(OCCC)nc2)CC1 1301088916 KKFRSNDJFAWATD-UHFFFAOYSA-N 431.584 4.842 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccccc1 1301165039 CSBCOVHLQYLUGO-NVQXNPDNSA-N 426.568 4.754 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1301166673 YATSAJQUPHIQTK-IBGZPJMESA-N 426.996 4.860 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1CCSC1 1301207565 ZOFPNSCGKMYMRB-CQSZACIVSA-N 425.371 4.755 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@H](OC)c1ccccc1 1301360021 ULMADGMJFFNBQA-QFIPXVFZSA-N 433.581 4.925 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1Cc2ccccc2[C@@H]1C)C(C)C 1301366982 JJMDHROEAVJRRF-QQKQFIJSSA-N 449.643 4.952 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCc1nc(C(C)(C)C)cs1 1301973499 HNGLJEVUSLOHFV-INIZCTEOSA-N 440.592 4.601 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1ccccc1Cl)N(C)C 1305476387 DYHNRMBRNPPQBL-KPDCDPCYSA-N 429.012 4.878 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(I)c(Cl)c1)c1ccc(F)cc1 1311261614 LLBDKIABXJDZLU-OAHLLOKOSA-N 428.632 4.580 30 10 IJEE C[C@@H](NC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1)c1cccc(C#N)c1 1313290584 DCZLOHBWIBZBDX-OAQYLSRUSA-N 440.547 4.730 30 10 IJEE N#Cc1ccc(OCC(=O)N(CCc2ccccc2)C2CCCC2)cc1Br 1352567098 GVXOQEHROPCGKZ-UHFFFAOYSA-N 427.342 4.713 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnc2C)c(OC)c1 1354951672 KWVDZPRFNWMKPZ-UHFFFAOYSA-N 445.441 4.954 30 10 IJEE Cc1cc(-c2csc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c(F)cc1F 1355239727 BVLHTXGWGAPCLH-AWEZNQCLSA-N 442.466 4.873 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CC(F)(F)CO1 1358879776 YJZGXVWXXMXFHN-WMLDXEAASA-N 446.498 4.695 30 10 IJEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CC[C@H](C)C1 1358981195 AMSYEVVFWQRFSS-PZJWPPBQSA-N 439.003 4.761 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCCCC(F)(F)C1 1358982942 PQTQNRRQFOHUHL-HXUWFJFHSA-N 440.538 4.708 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](C)O[C@H](CC)C1 1359051636 FQOLKFHOUSIHPH-GOEBONIOSA-N 439.412 4.622 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)CCCS2)CC1 1359182039 PWBSDMODTLXEBY-HSZRJFAPSA-N 428.602 4.554 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cccnn2)CC1 1359183427 KZKOREGJWLCHJN-JOCHJYFZSA-N 445.615 4.539 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCN(CC)CCC 1359234062 BKEHQHGEAYEQMC-UHFFFAOYSA-N 440.817 4.715 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)cc1OC 1361160943 RFWJIZNZWMNCQK-LCIVRZSQSA-N 446.591 4.788 30 10 IJEE C=CCN(C(=O)c1cc(C)cc(C)c1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1435901890 WSKJKHGIWOBROC-FQEVSTJZSA-N 444.369 4.869 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)c2cnn(CC3CCC3)c2)s1 1440019560 JYTRFZQYGLRMOV-ZDUSSCGKSA-N 425.023 4.713 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc2ccc(Br)cc2c(=O)o1 1447755456 RZULCFRGCPANMK-UHFFFAOYSA-N 428.282 4.706 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N([C@@H](C)COC)[C@@H]1CCc2ccccc21 1454478666 YAUSJMHTMJPBCD-FFZOFVMBSA-N 436.980 4.573 30 10 IJEE C=CCn1c(Sc2ccnc(COC)n2)nc2sc(-c3ccccc3)c(C)c2c1=O 1458079537 SMJDYUNKQLZWEL-UHFFFAOYSA-N 436.562 4.707 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)C(F)(F)F)cc1 1460044554 YPYZFWLKEMHHNL-DENIHFKCSA-N 429.438 4.875 30 10 IJEE C=CCOc1c(Cl)cc(CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)cc1OC 1462404487 NGDRUMWKSDIREM-UHFFFAOYSA-N 436.980 4.746 30 10 IJEE C=CCCCS(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 1463497037 JMPDLVLKLVPPOR-FQEVSTJZSA-N 427.488 4.537 30 10 IJEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 1463539843 FHNNUVQFERZTEB-QGZVFWFLSA-N 444.475 4.503 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCOc3c(Br)cc(C(=O)OC)cc3C2)c1 1467477432 HQBDDJQKAJTOOY-UHFFFAOYSA-N 445.313 4.695 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)Cc1cn(C)c2ccccc12 1470936515 NBLHIMCMZAWZSU-CTNGQTDRSA-N 427.589 4.865 30 10 IJEE C=CCn1c(SC[C@@H](OC)[C@H]2CCOC2)nc2sc(-c3ccccc3)c(C)c2c1=O 1472971174 NIDINHPQFLWPFJ-ZWKOTPCHSA-N 442.606 4.763 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(-c4ccco4)cc3F)CC2)c(Cl)c1 1478574232 FYKBMFAWANOXSW-UHFFFAOYSA-N 438.890 4.643 30 10 IJEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)C1CC1 1503542108 CLVRVUJMCSCZJK-JOCHJYFZSA-N 437.588 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1C[C@H]2CC[C@H]1C2 1507522211 UNMWWUSPIGUWOJ-FXUDXRNXSA-N 431.353 4.741 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1507542613 LXMZEPAYLWWKLD-SKPFHBQLSA-N 436.600 4.594 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H](OC)[C@@H](C)CC 1507545164 ITAIDLZQMKAJRL-DOXZYTNZSA-N 439.387 4.683 30 10 IJEE C#CCCCCn1c(Cc2ccsc2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1507565335 CFOUCTBRRLDYST-UHFFFAOYSA-N 449.624 4.734 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](CC)c2ccccc2)n1C[C@H](C)N1CCC[C@@H](C)C1 1507763563 CZOAAGPJDPNGOD-JVOXNHGTSA-N 433.644 4.933 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCO1 1507764303 MSTZYUGVFCIYCC-FOIQADDNSA-N 449.780 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1507796763 JQLJGWIJVNHWAW-JIYIMXKPSA-N 441.447 4.868 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1C1CCCCC1 1507826117 GHBDILZGWKMACU-JOCHJYFZSA-N 442.677 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1507899826 VTUITJKEFGIROQ-DFBJGRDBSA-N 425.596 4.997 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(OCCC)nc2)CC1 1507901440 JJQHSRDQUKTUGB-UHFFFAOYSA-N 447.583 4.512 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CCc1scnc1C 1508008226 KQGPDUPKVYLECX-UHFFFAOYSA-N 448.571 4.988 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN(C(C)C)C1 1508008736 RXHSQKIYEIEATH-SFTDATJTSA-N 443.661 4.547 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC(C)C)CC1 1508047423 CQFJXASACPHQCG-IBGZPJMESA-N 432.012 4.652 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)CC[C@H]1C)CCC(F)(F)F 1515719082 GLDMXXRPYDDVDD-ZWKOTPCHSA-N 448.537 4.716 30 10 IJEE C#Cc1ccc([C@H](OC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)C(F)(F)F)cc1 1521336349 FZYCJJYTLJNZKW-NRFANRHFSA-N 429.442 4.654 30 10 IJEE C=CCN(C(=O)[C@H]1CC[C@@H](C(=O)OC)O1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1522423288 PHZVLWAEAHTROA-YADHBBJMSA-N 448.544 4.717 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)CCCN1C(=O)OC(C)(C)C 1522702603 QVPYEPUDPCUIEZ-CTIGNXTNSA-N 425.573 4.960 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)CCCN1C(=O)OC(C)(C)C 1523438110 BPRKKRDVSSWKOF-MHECFPHRSA-N 448.007 4.771 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1523895713 NQXYTLAWAYBCOB-OALUTQOASA-N 426.582 4.724 30 10 IJEE C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(Br)cc1C#N 1525270747 ASEPDRLGCUTEJE-MRXNPFEDSA-N 426.358 4.625 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)CCc2ccc3[nH]ccc3c2)c(C(=O)OCC)c1C 1525887348 HDCTWNOHLDUDLG-UHFFFAOYSA-N 440.521 4.629 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 1528290451 DDFBATNMKCRLST-HSZRJFAPSA-N 448.588 4.819 30 10 IJEE CCc1cc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c2c(CC(C)(C)C)noc2n1 1528575221 HZGNTNBPKDEROJ-UHFFFAOYSA-N 446.486 4.823 30 10 IJEE C=C(C)COc1cccc(NC(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)c1 1529833587 YNKGQZPZXSOVJA-UHFFFAOYSA-N 431.529 4.896 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccs1 1531576324 ZBTFJZZTGXPOIE-DHIUTWEWSA-N 432.589 4.845 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1538231027 WETQLHNFPKMFBN-ACCUITESSA-N 430.361 4.824 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1539127774 PCLOOMRIRXJJMS-SFHVURJKSA-N 440.642 4.505 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1539377320 PIGFPMLXHSTPKV-UHFFFAOYSA-N 433.531 4.845 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1CCCCO1 1539540017 CTYVGDYFEAKECX-YADARESESA-N 444.526 4.888 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCc1cc(F)cc(F)c1 1539547219 VPXMGMURQNQAAW-JOCHJYFZSA-N 427.886 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@@H](C)C1CCC1 1539643490 WNJRDOFTKLGJJA-NRYAXDJKSA-N 442.579 4.992 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1539786523 SHVGMSDUKYZRRF-BBRMVZONSA-N 436.368 4.774 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1539920775 LAKQVFVUIVJKFN-UHFFFAOYSA-N 447.027 4.960 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC(C)C)n1CCC(=O)N1CCCCCC1 1540146366 DWTYWVUEDUPBJW-UHFFFAOYSA-N 429.634 4.523 30 10 IJEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CC=CCC1 1540881403 IGIOYUZPCXLDQI-QFIPXVFZSA-N 446.599 4.545 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2OCC(F)(F)F)C1 1540882274 FTRZTSGGAOLMCC-AEFFLSMTSA-N 438.494 4.562 30 10 IJEE CCc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](CC)NC(=O)OC(C)(C)C)cc1 1546163208 HVFVJVMXIZKKRA-YLJYHZDGSA-N 440.592 4.549 30 10 IJEE CCc1cnc(CCn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)s1 1546328591 GWAIHRUBPGFOJW-UHFFFAOYSA-N 441.004 4.990 30 10 IJEE C=CCn1c(SCc2ccn(-c3ccc(F)cc3F)n2)nnc1-c1cccc(OC)c1 1559381287 MPOZYTNGMWUSFN-UHFFFAOYSA-N 439.491 4.896 30 10 IJEE C=CCCn1cc(CN2CCN(c3ccc(Sc4ccc(C)cc4C)cc3)CC2)nn1 1561019903 RSNSDCBVKPXQLZ-UHFFFAOYSA-N 433.625 4.944 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N[C@](C)(CC(=O)OCC)C(C)C 1562929116 HRGYLLPQXRDYPU-LJQANCHMSA-N 427.339 4.503 30 10 IJEE C#C[C@H](NC(=O)N(C)Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C1CCOCC1 1565106793 XGDUHEPKEIUBDH-VWLOTQADSA-N 434.580 4.761 30 10 IJEE CC(C)c1ccc(C[C@@H]2CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)cc1 1584338811 AVDGSKKWMSPWAR-SFHVURJKSA-N 441.369 4.914 30 10 IJEE C=CCOc1ccc(CN(C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)C(C)(C)C)cc1 1585443560 XAGHTXYGCYKTHS-FQEVSTJZSA-N 428.573 4.992 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 1586269130 AEFXMZXEEDVKOR-NQIIRXRSSA-N 435.524 4.523 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1cn(CCCC)nc1C 1587561656 GIYJSAJTPDOLHU-SIKLNZKXSA-N 448.615 4.846 30 10 IJEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1ccsc1)N(CC)CC 1587931762 CWZLEINVMAKHQL-FQEVSTJZSA-N 433.581 4.905 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)C(F)(F)F 1587945675 ODPAZENKGIQWNK-UHFFFAOYSA-N 433.247 4.505 30 10 IJEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1sccc1C 1588167089 WCDRFJCGYHMQNR-UHFFFAOYSA-N 441.025 4.909 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Br)cc2)n1C[C@@H]1CC[C@H](C)C1 1588445539 OVSJZJNYRYAFJY-DLBZAZTESA-N 431.378 4.515 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(CCC#N)CC1CC1 1589006135 CAHGFNIFWSZYTB-UHFFFAOYSA-N 439.654 4.772 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCO[C@@H](C)C1 1589150669 INLGTLXCWOTSNS-QOAPGFADSA-N 436.600 4.842 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C)C1 1589505941 PUFAUOLINURUAD-SUMDDJOVSA-N 431.378 4.535 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2CCC2(OC)CCC2)CC1 1594076780 AUNAVZJRPFSWBW-UHFFFAOYSA-N 431.378 4.823 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1594218757 RITZJYJXCBDXEZ-VXKWHMMOSA-N 446.643 4.977 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 1594236206 AGVAAEMVFWSZKS-IBGZPJMESA-N 446.979 4.641 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1594430230 KMAPWVCKDOEZNN-RCZVLFRGSA-N 436.600 4.858 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1594511205 KZHMQGNAKPUUNP-UHFFFAOYSA-N 449.430 4.861 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OCC2CC2)C1 1594573787 YCSRMAFQGDTWHN-GOSISDBHSA-N 448.409 4.787 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CC1CCN(c2ccncc2)CC1 1595196074 KITQMWOUQMFHRO-UHFFFAOYSA-N 432.547 4.574 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1595234414 SHYMGXGITMGZJK-IUTQVRIDSA-N 431.584 4.779 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1595461503 XSNDHTXBYMVFQK-YPAWHYETSA-N 442.579 4.707 30 10 IJEE CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(OC)C2CC2)CCS1 1613727552 GJEFKMZYKGFWKX-HSZRJFAPSA-N 439.629 4.744 30 10 IJEE CCC1(Cn2c(COc3cccc(C)c3)nnc2N2CCC(CC#N)CC2)CCOCC1 1613750492 FPHJTHSDFVNVMY-UHFFFAOYSA-N 437.588 4.502 30 10 IJEE C=CCC(CC=C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1617208185 MZALLUOWSXIXLF-FPOVZHCZSA-N 446.563 4.812 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCOc1ccc(I)cc1 1617458944 PZWAAMWYIYCTEY-CRAIPNDOSA-N 427.326 4.701 30 10 IJEE C#CCn1cc(CNC(=O)[C@H](Sc2cc(Cl)ccc2Cl)c2ccccc2)cn1 1618800476 JNXKLBBCOJZHCZ-HXUWFJFHSA-N 430.360 4.973 30 10 IJEE CO[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H](C)CC#N)C(C)(C)C 1619006442 FCJOCGGELXHBPW-WIYYLYMNSA-N 441.620 4.954 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc(OC)cc2C)c1 1621595502 CGYCUQCCRPKPMM-UHFFFAOYSA-N 438.501 4.567 30 10 IJEE C#Cc1ccc(NC(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)c(Cl)c1 1627811086 ZHUCLFFOKLLOCR-NSHDSACASA-N 435.705 4.738 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 1630118884 KXPURPJCQDKWOO-KSZLIROESA-N 435.362 4.725 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3COCCN3C3CCCC3)cc2Cl)cc1 1630759655 BIBQXDWHAIWIIC-OAQYLSRUSA-N 425.916 4.586 30 10 IJEE C#CC[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 1633351109 KQQLBEFPPLVXOL-RJGXRXQPSA-N 439.600 4.962 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)c2cnc(CC3CCN(C(=O)OC(C)(C)C)CC3)s2)C1 1645066791 MNBFYRAQZYKNKR-GOSISDBHSA-N 433.618 4.761 30 10 IJEE C#CCN(CC(=O)NCc1cccc(COCc2ccco2)c1)[C@@H]1CCCc2ccccc21 1648423970 KULONLOKXVCRFJ-HHHXNRCGSA-N 442.559 4.625 30 10 IJEE N#Cc1cccc(Oc2ccnc(N3CC[C@@H](Cc4ccc(Br)cc4)C3)n2)c1 1651087368 HGNPSWRFBSCHIN-SFHVURJKSA-N 435.325 4.972 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)C(=O)OC 1652012819 HQQYFIKIKLJCJS-INIZCTEOSA-N 449.370 4.623 30 10 IJEE CSc1cccc([C@H](NS(=O)(=O)c2cc(C#N)ccc2C)c2ccc(F)c(F)c2)c1 1654392199 HFPMMVJHNMGBKZ-QFIPXVFZSA-N 444.528 4.935 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1 1658569986 NZQAXLVHUORCOQ-UHFFFAOYSA-N 440.540 4.823 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccc(N2CCCC2)cc1 1662573823 OBRMLHRBQXIZBL-UHFFFAOYSA-N 430.346 4.936 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1)C1CC1 1665559415 HSPPQDOTNNIWGZ-HXUWFJFHSA-N 448.419 4.962 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)N3CCC(Oc4cccc(F)c4)CC3)cc2)ccn1 1672019914 AZDZWEGBJCCWSD-UHFFFAOYSA-N 432.455 4.960 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1672860992 MXUXEOVOMWZAGJ-QUCCMNQESA-N 449.617 4.516 30 10 IJEE CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1675159378 GMMOHJVHMZCIHI-SFHVURJKSA-N 434.540 4.808 30 10 IJEE C#CCN(C(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1)[C@@H]1CCCc2ccccc21 1676855143 JJDLIKWDWOWBTQ-KHICQEDESA-N 437.584 4.545 30 10 IJEE C=CCc1cc(CNC(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)cc(OC)c1OC 1677640930 HHRIXCYWWSFENC-SFHVURJKSA-N 444.959 4.799 30 10 IJEE C#C[C@H](NC(=O)NCCc1c[nH]c2cc(F)c(C)cc12)c1ccc(Br)cc1 1683511809 CJGUTNZLZCECJI-IBGZPJMESA-N 428.305 4.594 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@H](C1CCCCC1)N(C)C 1690088864 ZJLGMKILRIOWCA-QHCPKHFHSA-N 425.596 4.691 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1cccnc1 1690212245 FFHUBFZAJJRYBY-HHHXNRCGSA-N 443.595 4.919 30 10 IJEE C=C(Br)Cn1c(N(C)[C@H]2CCSC2)nnc1C1(c2ccccc2)CCC1 1690233974 XDDYSTMDBVXTDV-KRWDZBQOSA-N 433.419 4.598 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]1[C@H]1CCCO1 1690434906 LEYBSVPULKYDMI-LEWJYISDSA-N 430.543 4.897 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1690440100 XTSUYIDWVLGPHA-UHFFFAOYSA-N 443.661 4.832 30 10 IJEE C=CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690490265 UVWKSSSXGJKNNC-LJQANCHMSA-N 447.505 4.795 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1690500509 XRVFVWLNRAGGNH-CVDCTZTESA-N 440.588 4.714 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCc2cc(F)cc(F)c2C1 1690633054 FYIBVMFRDHIXIK-UHFFFAOYSA-N 437.313 4.796 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCCC2(F)F)C1 1690705025 ADERRRJXCNGLBX-RTWAWAEBSA-N 430.543 4.784 30 10 IJEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCC(CN2CCCCCC2)CC1 1690738137 HFEMWPVLDWMNGF-UHFFFAOYSA-N 439.673 4.957 30 10 IJEE C[C@@H]1CCCC[C@@H]1OCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1693639205 CKICMHFXMOUXHR-XXBNENTESA-N 439.579 4.733 30 10 IJEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)C1 1697868814 CAGLCTRIWXNQNX-RBUKOAKNSA-N 429.515 4.505 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCN(C)C1CCCCC1 1705478242 YIQMEKXFDMDPBJ-RTBURBONSA-N 444.023 4.794 30 10 IJEE C#CCCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1705519066 XICLPOQJHSQLQD-HYBUGGRVSA-N 429.568 4.664 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCC(F)(F)C1 1705585997 RHGKYULBOJDHGW-FQEVSTJZSA-N 440.538 4.797 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](OC)C(C)(C)C 1705589832 WIKOJMZTCWNAMH-JTHBVZDNSA-N 436.600 4.559 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1nccs1 1705590481 MMNAGTQTLNEHQA-UHFFFAOYSA-N 437.981 4.781 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1705602434 VDLHRTVXVUDTFT-FQEVSTJZSA-N 440.563 4.777 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N(C)C[C@H]1CC=CCC1 1705688069 MQZKXSJYWREXIN-KRWDZBQOSA-N 431.378 4.579 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2ncc(C)s2)CC1 1705732022 LHKUJRGSPCPTQZ-UHFFFAOYSA-N 448.596 4.558 30 10 IJEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1705753496 BMAXGCMVWVOIAT-UHFFFAOYSA-N 431.924 4.644 30 10 IJEE C=CCCCCn1c(C2CCCC2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1705806997 QSVPFDPXJMVKDW-UHFFFAOYSA-N 442.652 4.893 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1cccn(CC)c1=O)C1CC1 1705849942 AHKYCLVSXBLQKM-UHFFFAOYSA-N 431.584 4.627 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCC2)n1C[C@@](C)(O)c1cccs1 1705862358 HOWGEMSRLADFAG-HSZRJFAPSA-N 426.561 4.847 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)C[C@@H](C)C1)C(C)C 1705867320 LOHAKDJXRRGSNV-ZFGGDYGUSA-N 436.648 4.829 30 10 IJEE C=CCSCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC1CC(F)C1 1705940746 OFZQPAVGOXAIDS-UHFFFAOYSA-N 425.577 4.905 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1Cc2ccccc2C1 1705950238 UZSOLEIHAHHNDZ-FGZHOGPDSA-N 440.657 4.720 30 10 IJEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCCCC[C@H]21 1722465599 PAKZEQWQRMJGLC-UYAOXDASSA-N 428.577 4.522 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 1722479016 DWHUSLMMCOYKKH-WIYYLYMNSA-N 428.378 4.859 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCCCC1 1722492738 UGFYRVITYFWKGQ-IPJJNNNSSA-N 428.552 4.919 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCSC1 1722528989 RKALSVAKXKZWOY-HNNXBMFYSA-N 427.401 4.786 30 10 IJEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1722529195 VTVNMBLNEJPKGU-NRFANRHFSA-N 430.543 4.972 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCC(C)(C)C)CC1 1722560549 CPOLUNMVOCTSOC-UHFFFAOYSA-N 428.577 4.954 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CC)C1)c1ccccc1 1722593983 DGDYWFOTWDCFAX-CTNGQTDRSA-N 430.556 4.522 30 10 IJEE C=CC[C@@H](Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)c1ccccc1 1722595968 AAQYNYFXXBPLAP-RXVVDRJESA-N 447.549 4.663 30 10 IJEE C=CCCOCCn1c(CC(C)C)nnc1N1CCSc2c([nH]c3ccccc23)C1 1722628952 DFFRPUQTQKJSIQ-UHFFFAOYSA-N 425.602 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCC1 1722662053 FCJCHUHTOUOVJO-UHFFFAOYSA-N 438.597 4.643 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2OC)n1Cc1cccnc1OC 1722662263 GIRQNTIIJDWAPR-UHFFFAOYSA-N 447.564 4.660 30 10 IJEE CCCCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 1728072275 ACYFKKQOSQNYDC-AWRGLXIESA-N 434.632 4.954 30 10 IJEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1740737959 AUETZCMYFBMRCH-AWEZNQCLSA-N 449.393 4.743 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(Cc1ccc(F)cc1)C(C)C 1740757565 PQAWPJMSHYNWGI-REWPJTCUSA-N 435.547 4.875 30 10 IJEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccs2)CC1)c1ccccc1 1740801715 BANOEFRAMCIKJN-UHFFFAOYSA-N 435.641 4.964 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1740827429 WLFHBYHQVSDJAW-RTBURBONSA-N 442.677 4.547 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCCCO2)CC1 1740835615 HVOXAEGXTPEIFR-QGZVFWFLSA-N 449.368 4.818 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2CCCCN2CCC[C@@H](C)C2)CC1 1740840625 FQBSMUMLOKJJEK-HXUWFJFHSA-N 427.662 4.845 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1740841179 STMXMZXGRPROIO-OAQYLSRUSA-N 441.576 4.563 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Cl)c(F)c1 1740862174 MBNZQGLBDRJZGG-UHFFFAOYSA-N 445.926 4.791 30 10 IJEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 1740888432 NIDHUIYCLBCRGO-IBGZPJMESA-N 447.624 4.569 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(OC)CCC(C)CC1)C1CC1 1740908371 VLPGBGDQKVRUDO-UHFFFAOYSA-N 440.588 4.712 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccsc2)C1 1740971937 AMANHVNZHLQOJY-UTKZUKDTSA-N 442.560 4.643 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCCS1 1748656605 UDWJCXMIPOYNLU-ZFWWWQNUSA-N 437.382 4.590 30 10 IJEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1749043410 GSKJYQQDEPBMGW-OAQYLSRUSA-N 436.581 4.509 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCN(C(C)C)C(C)C 1749073375 MWUSRYFQJNECJB-AREMUKBSSA-N 437.632 4.667 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)c2ccccc2)CC1 1749218647 RSSMMNBZEFNZPD-UHFFFAOYSA-N 435.572 4.544 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C)cc2F)CC1 1749288377 UOEAPIDVKWWVGR-UHFFFAOYSA-N 430.325 4.688 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCC[C@H]2C)CC1 1749348134 ZMNPWZWBSZKEGU-HXUWFJFHSA-N 441.595 4.663 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1749355568 LOHCWNHVJIRSJP-FQEVSTJZSA-N 448.527 4.508 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1Cc2ccccc2C1 1749447681 KZXPCCRWFFIKKK-UHFFFAOYSA-N 445.386 4.882 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1CC(C)(C)N1CCCCC1 1749544179 BWXLTPAVFBKPKP-UHFFFAOYSA-N 425.596 4.827 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)c1nc(C)cs1 1749573649 RWFCNZUDDFZSIL-GOSISDBHSA-N 445.596 4.878 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1749646409 QNDAVDNHBZQASM-GIVPXCGWSA-N 437.588 4.919 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)o1 1751477864 HEWHRUIVBUTLNI-MZLICYQSSA-N 425.577 4.554 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1760130202 FKQDGDMDENIYQP-UFYCRDLUSA-N 442.629 4.951 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1)CC1CCOCC1 1760149022 UFOUHJWMSVMYOH-UHFFFAOYSA-N 449.986 4.840 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@@H](SC)C1 1760318236 MVZZLCHLGBTVLI-FCEUIQTBSA-N 442.629 4.657 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2c(C)nn(C)c2C)CC1 1760405795 GXUKBBYXBZJJBW-UHFFFAOYSA-N 436.629 4.680 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCO[C@@H](C)C1 1760499086 NRZKIHBXUMLINN-OEMFJLHTSA-N 438.616 4.612 30 10 IJEE CO[C@@H](Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H](C)CC#N)C1CC1 1769625868 HDYAIDWYGWZYKX-BEFAXECRSA-N 436.585 4.540 30 10 IJEE N#CCCN(CC1CC1)c1nnc(Cc2cccnc2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1771544001 HHKPWXAEQYULFC-RTBURBONSA-N 432.494 4.688 30 10 IJEE Cc1nn(-c2ccccc2)c2c1C(=NOC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)CC(C)(C)C2 1772728342 ISHJPZSSLBJPJP-IZZNHLLZSA-N 449.551 4.522 30 10 IJEE N#Cc1cccc(C(=O)Nc2ncccc2OCc2ccc(Br)cc2F)c1 1858757515 CSUZECMYYUQRBE-UHFFFAOYSA-N 426.245 4.686 30 10 IJEE CCCCCCCCNC(=O)[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)[C@@H](C)CC 1861091389 YMMATYIRJLIVID-YADARESESA-N 434.621 4.644 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 1861211542 RJAAFJHEVDAGJG-DNQXCXABSA-N 429.649 4.660 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccccc2Cl)cc1 1862391897 KTZMFMQYKDUNOK-OAQYLSRUSA-N 427.928 4.907 30 10 IJEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCCC2)cc1 1862414602 DITUKWSLCDVTDZ-FQEVSTJZSA-N 441.430 4.574 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccccc2)c1 1862625974 REFGNLYMHJAZNQ-HSZRJFAPSA-N 427.456 4.502 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2CCCOC)cc1 1862665561 JSRABSFLBWBVAG-QHCPKHFHSA-N 437.536 4.824 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 1862688060 SUXVTMRFPOYTAK-DEOSSOPVSA-N 443.499 4.661 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1F 1862752111 VHXVFSFFZCMMAN-IBGZPJMESA-N 430.407 4.642 30 10 IJEE N#Cc1ccccc1NC1=C(c2ccccc2F)C(=O)N(c2ccc(F)c(F)c2F)C1=O 1862935168 UMERXGLFPPDERP-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCCC1 1870580135 HERLMSPGROMREU-UHFFFAOYSA-N 434.621 4.773 30 10 IJEE C=CCOc1cn(CCO)c(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1=O 1870813367 IODFZNZBKXYEPB-UHFFFAOYSA-N 447.560 4.603 30 10 IJEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CNc1ccc(Br)cc1 1871011664 ZYNPXBAWPBQZOH-UHFFFAOYSA-N 444.329 4.593 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(CCc1ccccc1)CO2 1871344310 CQRXYDRNRQGFAB-CFRMEGHHSA-N 441.483 4.735 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(CCCCN(C)C)C3 1871348266 BAELCRNKDXSJNK-HAHDFKILSA-N 436.552 4.504 30 10 IJEE COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)o1)C2=O 1871412159 VIRNTCPLLLYCCC-BDQMVGTNSA-N 433.460 4.927 30 10 IJEE CCCOC(=O)[C@@H](CC)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 1871435221 ZKUFKMNUGLGIFX-UOIFGXKSSA-N 438.476 4.508 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1871829166 GNEASMITLQMYIW-HSZRJFAPSA-N 428.598 4.958 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccccc1 1872099125 BCXPLNFJFQVULT-QHCPKHFHSA-N 439.581 4.788 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872249875 NKYODQXMEBYSAN-QFIPXVFZSA-N 428.598 4.904 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872520108 QGHMJNYQUZUJDQ-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE CCCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1cccs1 1874202097 KQIJSYJWMGKUIE-PXLXIMEGSA-N 430.599 4.916 30 10 IJEE CCSc1nnc(Cc2ccc(OC)cc2)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874350049 RHQFCPIQBCLGOB-BUVRLJJBSA-N 440.569 4.668 30 10 IJEE C=CCSc1nnc([C@@H](C)c2ccccc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874400151 JXCFXHZYUKTFFA-WQEJZQBCSA-N 428.945 4.958 30 10 IJEE CC(C)COC(=O)CSc1nnc(-c2cccs2)n1/N=C/c1cccc(Cl)c1 1874424336 GKJONPMEPFJQID-UFFVCSGVSA-N 434.974 4.834 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2/N=C/c2cccc(F)c2)cc1 1874465468 KSIIBJXHIDKBIC-AFUMVMLFSA-N 449.511 4.853 30 10 IJEE CCOc1cccc(/C=N/n2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)C)c1 1874511950 SZRLWCSNWOCGFU-ZVHZXABRSA-N 437.569 4.722 30 10 IJEE COc1ccccc1CCc1nnc(S)n1/N=C/c1cccc(OCc2ccccc2)c1 1874564295 YGRZWHQYTVXFOM-YZSQISJMSA-N 444.560 4.822 30 10 IJEE COC(=O)COc1c(Cl)cc(/C=C/C(=O)c2cccc(Br)c2)cc1OC 1874609759 INMPLEBJVGQKCX-VOTSOKGWSA-N 439.689 4.559 30 10 IJEE COC(=O)c1ccc(COc2c(OC)cc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)o1 1874615960 FYXGXWPNYQIJGZ-YRNVUSSQSA-N 436.460 4.867 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(Cl)ccc2OC)cc(Cl)c1OCC(=O)OC 1874638966 AUOVNROTEKZICJ-FNORWQNLSA-N 439.291 4.849 30 10 IJEE CCCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 1875150916 LOUSXAWQZARTNI-VQHVLOKHSA-N 441.436 4.714 30 10 IJEE C=CCn1c(C(=O)N(C)CCCC)cc2c(NCCc3c[nH]c4ccccc34)ncnc21 1875227671 IZDLNCQVPNTALG-UHFFFAOYSA-N 430.556 4.625 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H](CC)c3ccc([N+](=O)[O-])cc3)ccc21 1891485021 QMHZWFMKMXAXTL-LJQANCHMSA-N 437.496 4.665 30 10 IJEE N#Cc1ccnc(OCC2CCN(C(=O)c3cc4ccccc4n3-c3ccccc3)CC2)c1 1891611885 OEFWXPVLUXSCFH-UHFFFAOYSA-N 436.515 4.828 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([C@H](C)C#N)CC1 1901537121 MLWHKBGWKHLXLH-CJAUYULYSA-N 445.563 4.702 30 10 IJEE CC1(C)OB(c2ccc(NC(=O)c3ccc(Br)cc3Cl)cc2)OC1(C)C 1912663531 HSKOGFOOWIZSTQ-UHFFFAOYSA-N 436.542 4.654 30 10 IJEE C=C(C(=O)O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1951584008 NXBBXIRXAPVRRJ-HXOBKFHXSA-N 435.520 4.834 30 10 IJEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2cc(Br)cc(C#N)c2)C1 1957284633 UDFLHLHXWZRIID-UHFFFAOYSA-N 442.357 4.947 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cccc(Br)c1Br 1992857999 MBUWSKVJTFZXLE-KBPBESRZSA-N 449.183 4.584 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 1998068880 ZUTHEUCTYCFGIU-FCHUYYIVSA-N 432.605 4.542 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1 2037224078 MTWVTDQIHJDKAL-IMWIBFENSA-N 443.544 4.728 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]21 2058935640 WMPIFZFNDSAOBZ-HOIFWPIMSA-N 448.568 4.996 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C[C@H]1C 2070622654 WQNYFBIBPJEJBR-VIICAESSSA-N 446.632 4.526 30 10 IJEE Cc1cccc(Cn2nc(C3CCOCC3)c(C#N)c2Br)c1Br 2080342999 FFGBPJPDYSDWDO-UHFFFAOYSA-N 439.151 4.531 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1c(F)cc(Br)cc1F 2170705145 DKNBHRPTNZFFIQ-RTWAWAEBSA-N 440.328 4.902 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3cc(Br)cc(F)c3C#N)C[C@H]21 2174813126 SFENCBGZCFKFJA-XGWLTEMNSA-N 438.341 4.589 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(CC(=O)Nc1ccc(C#N)c(Br)c1)C1CCC1 2186785360 YRXYMCHLBZYYGU-HXUWFJFHSA-N 436.350 4.733 30 10 IJEE CC1(C)OB([C@]23C[C@H]2CCN(C(=O)c2cc(Cl)ccc2Br)C3)OC1(C)C 2194119948 DKTIOHLQWRFXSA-BLVKFPJESA-N 440.574 4.801 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C 2235748277 YBTFNHKTYYLDFD-VAMGGRTRSA-N 433.390 4.567 30 10 IJEE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2247826302 RQUGOYZIOBNNFR-KRWDZBQOSA-N 425.403 4.797 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCCCOc2cc(Br)cnc2C#N)CC1 2283132469 GJKVEBBSRNHUEU-UHFFFAOYSA-N 438.366 4.912 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)[C@H](N)C#CC1CCCCC1 2289688611 WARQYCMWMWFTMS-WOJBJXKFSA-N 435.406 4.796 30 10 IJEE C=C(COC(C)C)[C@@H](OCCCN)c1cc(Br)c(Br)s1 2293424974 JSPQDELPTMEWIW-CYBMUJFWSA-N 427.202 4.661 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1 2296267605 VNCUJXAADUAHPO-VQTJNVASSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2ccc(Br)cc2)CC12CCCC2 2296290652 FXDDPYFQICVAIT-PKOBYXMFSA-N 433.390 4.698 30 10 IJEE CCOc1ccc([C@H]2C(=C(O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 2296928420 LRPZNFFPRPXURC-NRFANRHFSA-N 437.879 4.954 30 10 IJEE COc1cc(C=C2Oc3c(ccc4c3[C@H](CC(C)C)CC(=O)O4)C2=O)cc(OC)c1OC 2297591425 JOGLPTTWXBWTKD-OAHLLOKOSA-N 438.476 4.767 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 2314429424 GXZFBJOTJFXCNJ-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 2314475091 QBRJVGYFQAXYDQ-OAQYLSRUSA-N 432.501 4.724 30 10 IJEE CCOc1ccc2c(c1)OC(=Cc1ccc(OC(=O)c3c(OC)cccc3OC)cc1)C2=O 2314527070 CSMBPRAUMYDVHM-UHFFFAOYSA-N 446.455 4.938 30 10 IJEE Cc1c(Sc2cc(I)ccc2Br)ccnc1C#N 2316386828 LCWXUJFQUWHCHJ-UHFFFAOYSA-N 431.096 4.780 30 10 IJEE CCc1nnc(S)n1N=Cc1ccc(OC)c(OCc2ccc(Cl)c(Cl)c2)c1 2321883971 QTCQVXYKKVYCJN-UHFFFAOYSA-N 437.352 4.906 30 10 IJEE COc1cccc(C=NNS(=O)(=O)c2ccc(C)cc2C)c1OCc1cccc(C)c1 2323423010 VBQIXENMOFSLNT-UHFFFAOYSA-N 438.549 4.512 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(F)cc1 2323719379 NSWACGGOHYMBGL-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OCC(=O)OC)c(OC)c2)c1 2324384701 FYHCCYNQRBWLQR-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCc4cc([N+](=O)[O-])cc5c4OCOC5)ccc3C2=O)o1 2325263429 IJCMPLXLXALMOJ-UHFFFAOYSA-N 435.388 4.558 30 10 IJEE Cc1cc(I)ccc1NC(=O)C(=O)C=Cc1cccc(OC(C)C)c1 2325675239 BBNWPCSIZPILTN-UHFFFAOYSA-N 449.288 4.608 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2C)OC(=Cc2ccc(C)o2)C3=O)cc1 2325705697 NTBYFVZEFPINQT-UHFFFAOYSA-N 433.460 4.929 30 10 IJEE CN(C)c1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCCO4)c2)cc1 2325745630 RDSOPDMRDJWCGL-UHFFFAOYSA-N 429.472 4.639 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccccc1F 2326797753 UNDFACLXJGXLEF-UHFFFAOYSA-N 426.517 4.721 30 10 IJEE C=CCSc1nnc(CCOC)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 2331293713 TVUBFOSLYKUWFK-UHFFFAOYSA-N 442.972 4.860 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(C3CCC3)n2N=Cc2ccc(F)cc2)c1C 2331488655 MKLFKOKDOPTRGQ-UHFFFAOYSA-N 437.544 4.915 30 10 IJEE CCCc1nnc(SCc2ccccc2Cl)n1N=Cc1ccc2c(c1)OCCO2 2331652852 QIQJDQWQVSPJPH-UHFFFAOYSA-N 428.945 4.830 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N=Cc2sccc2C)cc1C 2331724022 GIIFSEYYRPGTJO-UHFFFAOYSA-N 425.583 4.755 30 10 IJEE CCSc1nnc(C2CC2)n1N=Cc1cc(Br)c(OC(C)C)c(OC)c1 2331736754 UATNOODRLSYRRE-UHFFFAOYSA-N 439.379 4.708 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OCCCCC[C@@H](C)NC(=O)OC(C)(C)C)n1 2337046844 XUXSLFDNUBQBDZ-QGZVFWFLSA-N 448.413 4.542 30 10 IJEE C=CCC1(C(=O)Nc2ccc(C)c(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2352991176 OLLFRKKSNLRBDU-UHFFFAOYSA-N 427.314 4.648 30 10 IJEE CC1(C)OB(/C=C/c2ccc(N3[C@H]4CCC[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2365112723 YGNPTVCTUHSUJC-BUZBWCNWSA-N 445.416 4.970 30 10 IJEE C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(O)ccc3ccccc13)N2 14548035 XQCDRKNRIQHGBG-WZOHSFFVSA-N 432.545 4.836 30 10 IJEE Cc1ccc(/N=C2/C(=O)N(CN3CCN(Cc4ccccc4)CC3)c3ccccc32)cc1C 19362409 IAYXEBWTZVCVRH-ORIPQNMZSA-N 438.575 4.546 30 10 IJEE COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OCC(C)C)cc2)C3)c1OC 21243910 QHBLLZBOPQBPSM-RXVVDRJESA-N 449.547 4.743 30 10 IJEE C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(OC)cc2s1 33271565 ORHHAKWXXIXQQL-KRWDZBQOSA-N 446.532 4.838 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCOC)cc1 33758123 KOYSMJRALOELDG-QHCPKHFHSA-N 449.503 4.836 30 10 IJEE CC(C)c1nc(C#N)c(N/N=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)o1 33959108 KUXFUCVKSVTJSW-DHRITJCHSA-N 441.451 4.877 30 10 IJEE Cc1cccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2O)c1C 38623083 RLQJBHHAMRXRNZ-RBUKOAKNSA-N 430.504 4.610 30 10 IJEE Cc1cccc(C)c1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1 59015784 DESLNJICVYIJEK-LSFURLLWSA-N 449.367 4.905 30 10 IJEE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)N(CCC#N)CCc1ccccc1 100438047 PBWXGCLOYAKSKB-SFHVURJKSA-N 429.358 4.818 30 10 IJEE Cn1c(N)c(-c2nc3ccccc3n2C)s/c1=N/C(=N\c1ccccc1)c1ccccc1 102478789 CHAWCYLJJHSGTH-PMFOMJRPSA-N 438.560 4.902 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccc(F)cc3)[C@@H]2c2ccc(OC(C)C)cc2)no1 102909970 VBGRUJSMKPQYJT-AGGMBTAESA-N 436.439 4.536 30 10 IJEE O=C1/C(=C\Nc2ccc(F)cc2F)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 105336093 TWMZEXPSQTZHIJ-WOJGMQOQSA-N 432.473 4.513 30 10 IJEE O=C1C([N+](=O)[O-])=CC(Cl)=C/C1=C\Nc1ccc2oc(-c3ccc(F)cc3F)nc2c1 136918633 LADWAXTZQOGELV-MDZDMXLPSA-N 429.766 4.935 30 10 IJEE COc1cc(/C=C2/C(=O)C3CCN2CC3)ccc1OCc1ccc(Br)cc1 169942950 GCSVRFDQMFZOCT-UNOMPAQXSA-N 428.326 4.672 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2ccc(O)cc2)cc1 169959498 FKHCSVXDPHNQSP-XMMPIXPASA-N 441.483 4.672 30 10 IJEE CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2cccs2)cc1 169982185 IUYBTOQMIFGPSC-FQEVSTJZSA-N 449.488 4.505 30 10 IJEE CCCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(C)c2)cc1 170139514 OYKUXFWDRACEJF-QHCPKHFHSA-N 437.536 4.789 30 10 IJEE NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(Br)cc1 170179892 RXQXXJNWDXEKIT-UHFFFAOYSA-N 446.757 4.943 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2cccc(O)c2)cc1C 170257911 JWLWZJOKICQMRQ-JOCHJYFZSA-N 433.435 4.631 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(C)o2)cc1Cl 170301033 AFHKKCMORIDSOD-FQEVSTJZSA-N 439.851 4.739 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)o2)cc1 170301524 SWXVFSUWDHTXSD-CMJOXMDJSA-N 445.471 4.703 30 10 IJEE Cc1cccc(CN2C(=O)C(=NNC(=S)Nc3cc(C)cc(C)c3)c3ccccc32)c1 254387868 XGWOGJUEZQOQKR-UHFFFAOYSA-N 428.561 4.849 30 10 IJEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1 255126937 VNISXAJCWJUIOZ-HXUWFJFHSA-N 437.496 4.888 30 10 IJEE COc1ccc(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n2)cc1Cl 502554475 ZVTYAFFLEOBHLF-HXUWFJFHSA-N 435.933 4.672 30 10 IJEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 515073789 KFDNNIRAEUVEBH-KKSFZXQISA-N 437.475 4.535 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3ccccc3Cl)=C(SCc3ccco3)C2=O)c1 526668372 CQJXNIXCUKNILB-UHFFFAOYSA-N 435.892 4.935 30 10 IJEE CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1/N=C\c1ccccc1OC 526826743 FXKDYVOCEHJURM-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1cnn(C)c1C 580418103 DVIZVXVVPLPMIG-LJQANCHMSA-N 430.556 4.826 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N3C[C@H](C)C[C@@H](C)C3)C2)c1 585967853 UXFLNBKZYFHRGY-TXTKFYIRSA-N 440.632 4.816 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 698373676 JMQSLAWYZSMONR-YADARESESA-N 429.561 4.963 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 728147379 GMRMLBMZGFSPIQ-JOCHJYFZSA-N 441.487 4.816 30 10 IJEE CCc1c(C)nn(-c2cccc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2)c1C 766623915 VNGRZCIOZGXLEI-LJQANCHMSA-N 438.890 4.805 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cc1c(C(C)=O)oc2cc(C)ccc12 805855368 HMLPIHRTVJDRFM-OAQYLSRUSA-N 430.504 4.959 30 10 IJEE C=CCOc1ccccc1CN(C(=O)C[C@H]1CSCCS1)c1ccc2c(c1)OCO2 1124212710 RPAHHDCTXXKEDM-IBGZPJMESA-N 443.590 4.752 30 10 IJEE Cc1ccc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(F)c2)cc1C 1126947762 BOOMVYUCGMHISU-HXUWFJFHSA-N 437.515 4.695 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(Br)cc1C(F)(F)F 1127847106 SZXGUVGSXGSENO-UHFFFAOYSA-N 444.247 4.971 30 10 IJEE COc1nccc2c(NC(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)cccc12 1129544785 CYELIVAPQAZMDV-UHFFFAOYSA-N 425.492 4.890 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1ccccc1 1130116437 NMYPBUHMOARHKA-JOCHJYFZSA-N 447.332 4.735 30 10 IJEE C#C[C@H](NC(=O)c1oc2ccccc2c1CSc1nc(C)cs1)C1CCOCC1 1131256860 HXZKJONDRVHXKE-SFHVURJKSA-N 426.563 4.648 30 10 IJEE C=CC[S@](=O)(=NC(=O)c1cc(OC)ccc1OCC(F)(F)C(F)F)c1ccccc1 1134862138 PJINCQHQGBEOCF-SSEXGKCCSA-N 445.434 4.828 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 1136341033 MRSWBVDLECUYSC-RBUKOAKNSA-N 449.389 4.713 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCCCN2C(=O)OC(C)(C)C)cc1 1136408377 LYOFCEMFGBUCFQ-OAQYLSRUSA-N 441.572 4.619 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2cc(-c3cc(Cl)ccc3OC)[nH]n2)cc1OC 1163263542 KHRMULFVWJDDCQ-UXBLZVDNSA-N 439.899 4.964 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3n[nH]c(C)c3-c3cccc(Cl)c3)n[nH]2)c1C 1182008957 URZYWSUOHQFSDC-UHFFFAOYSA-N 435.919 4.680 30 10 IJEE C=CCn1c(Sc2nc(C(C)C)nc(N(C)C)n2)nnc1-c1ccc(C(C)(C)C)cc1 1184695576 LRMWFVCXTUPZCV-UHFFFAOYSA-N 437.617 4.954 30 10 IJEE C#C[C@@H](NC(=O)Nc1ncc(Cc2ccccc2)s1)c1ccc(Br)cc1 1197028001 QCNWCLWIZBHTQQ-GOSISDBHSA-N 426.339 4.992 30 10 IJEE C=CCOc1ccc(CNC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1OC 1204127296 CSQCJXPVCUHIEW-IBGZPJMESA-N 449.391 4.819 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1ccnc(O[C@H](C)CC)c1 1206194209 FNOSGKWVCVWIAY-CQSZACIVSA-N 434.334 4.908 30 10 IJEE C#C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(Cl)cc1F 1211070179 VPPLBVAGSRLDQL-LEWJYISDSA-N 434.342 4.943 30 10 IJEE C#CCN(C(=O)N[C@H](CCC)CCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1228710019 PZMCHAMFGFVZCG-JOCHJYFZSA-N 441.616 4.832 30 10 IJEE CCOc1ccc(C[C@H](C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 1229700502 HXIXBAQIHQPXSR-SFHVURJKSA-N 439.531 4.528 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 1229989353 IHHITGGAKRJVFG-NRFANRHFSA-N 447.501 4.600 30 10 IJEE C#CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](CCC)C1 1286337625 OHTISXOGYKNTNP-HXUWFJFHSA-N 435.597 4.796 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](SC)C(C)(C)C 1286419064 WOWZJTWAHDZZLD-IBGZPJMESA-N 446.567 4.787 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H]1CCSC1 1286499706 UOZWMRQWHBIOTC-QGZVFWFLSA-N 432.684 4.584 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1c(C)nn(C)c1C 1286600602 BASANJJWDYEZIR-UHFFFAOYSA-N 436.604 4.717 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCC[C@H]2C)CC1 1286654441 JPMHALYLWLHMFG-ZHRRBRCNSA-N 445.405 4.661 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(COC)CCCCC2)CC1 1286663916 LUIVOYRFNVVUOB-UHFFFAOYSA-N 449.599 4.728 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1286674551 RVRHVWHFHPLMGC-QFIPXVFZSA-N 444.627 4.577 30 10 IJEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1286685721 XYHRVBADRNMCKR-SFHVURJKSA-N 442.608 4.759 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1286693198 MZXVOFIKQVNUMF-YLJYHZDGSA-N 429.996 4.843 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(Cc2ccsc2)CC1 1286704945 KPIZPXRHKBPGTI-NHCUHLMSSA-N 443.661 4.547 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN1CCCC1 1286747616 NYBHQXSZFAGBAW-LJQANCHMSA-N 437.563 4.910 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(c2ncc(C)s2)CC1 1286826985 ZJGZADKIJIVNQZ-UHFFFAOYSA-N 429.615 4.915 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1288364159 KAJDFGAJNODZJU-QFIPXVFZSA-N 444.572 4.828 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1 1295551037 CRCLACHCWJMSBU-VXKWHMMOSA-N 429.605 4.672 30 10 IJEE CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1)C(C)C 1296483843 DCVNGTRDGACMQQ-LVCYWYKZSA-N 427.618 4.598 30 10 IJEE C[C@@H]1[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCCN1C(=O)OC(C)(C)C 1299563796 DTHMNPUALHIWGY-VGOFRKELSA-N 434.540 4.820 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nc(CC)cs2)CC1 1300135146 FYWIJBHEJCVRIJ-IBGZPJMESA-N 435.634 4.736 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1300417203 PPPFDLGHDVNORZ-ZJSXRUAMSA-N 447.652 4.833 30 10 IJEE C#CCN(CC)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@@H]1CCCCS1 1300635532 PUSCMSPEKPYNKZ-FQEVSTJZSA-N 447.048 4.997 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCc1nccs1 1300786072 CLFSIYMJDTUUGB-YADARESESA-N 435.597 4.726 30 10 IJEE C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC2(CCC2)C[C@@H]1CC 1300857468 VDKOZINUHRGNQN-SFHVURJKSA-N 445.405 4.967 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C)CC1 1300889892 RZHCQZJVRNLLBI-BSRJHKFKSA-N 430.543 4.755 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](OC)C(C)(C)C 1300896130 YUIPJDYNROAZEW-FQEVSTJZSA-N 427.593 4.611 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](CN(C)CCC)C1 1301017157 HBCRDCOUFCZRAC-NHCUHLMSSA-N 446.039 4.956 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1301072546 LBWKIXGFCPOVTD-YJBOKZPZSA-N 449.418 4.907 30 10 IJEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1301259109 DOIRZWHELXZBPL-RBUKOAKNSA-N 430.543 4.756 30 10 IJEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC(F)(F)C2)CC1 1301297852 HGRWBKHCRHWMLS-FQEVSTJZSA-N 443.542 4.895 30 10 IJEE C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cnn(C)c1C)C1CC1 1301331722 RTQFZCBSUUSHCP-UHFFFAOYSA-N 434.588 4.534 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCOC2(CCCC2)C1 1301620751 KCGHLWXUTIPPHC-UHFFFAOYSA-N 444.670 4.947 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(OCc2ccccn2)cc1 1305476522 GTCVZGKIRANYFR-FQRUVTKNSA-N 444.583 4.944 30 10 IJEE C#CCN(C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1308633282 IHFZWHKRQCZFQL-QJKPHDSHSA-N 425.370 4.987 30 10 IJEE C=CCN(Cc1cccs1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1311613925 VHIDGVLWNPAEDT-LJQANCHMSA-N 445.585 4.720 30 10 IJEE CCCN1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC#N 1313446492 DAHFBZUDTTXGCI-WBVHZDCISA-N 435.403 4.865 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2ccccc2)C1 1321456950 HDBKASSPAMBRTL-FPOVZHCZSA-N 436.531 4.581 30 10 IJEE N#CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(I)cc2)cc1 1323033775 OODBKEOPOOLONC-SFHVURJKSA-N 447.276 4.563 30 10 IJEE C=CC[C@]1(c2nnc(-c3cc(Br)cn3C)o2)CCCN1C(=O)OC(C)(C)C 1328504164 LZLSOQDSJLPHRD-LJQANCHMSA-N 437.338 4.640 30 10 IJEE CCOc1cc(NC(=O)c2ccsc2C#N)c(OCC)cc1NC(=O)c1ccccc1 1350294123 CIJHHCRLEURDHG-UHFFFAOYSA-N 435.505 4.922 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1350538084 IXPWDEZODHIFIN-GHTZIAJQSA-N 444.597 4.761 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1csc(N(C)c2ccccc2)n1 1351079163 DOAONLTWRUXAQL-UHFFFAOYSA-N 438.505 4.654 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCSC1 1358872854 ZKORYVXOOYCXJJ-OKZBNKHCSA-N 433.021 4.899 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC=C(C)C1 1359060917 LHJDVMVXURGCKM-UHFFFAOYSA-N 437.396 4.687 30 10 IJEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)[C@H](C)C1CCC1 1359079958 AUSIDKCFCPJWKZ-CQSZACIVSA-N 433.350 4.597 30 10 IJEE C=CCCCCn1c(N2CCC(CC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359206935 UGYRMKCHQVXJHS-OAQYLSRUSA-N 444.542 4.844 30 10 IJEE C[C@@H](Cc1cccs1)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCCO1 1360497401 HLAZUZPEWIDMCY-GHTZIAJQSA-N 435.597 4.762 30 10 IJEE C#CCSc1ccc(COC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1 1435908887 KTAFGAYGGXJTQA-OAQYLSRUSA-N 425.550 4.764 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 1440936845 IPPHJIYESXGMLM-CYBMUJFWSA-N 434.842 4.526 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 1447759576 QHHOKJNJHHXCAM-UHFFFAOYSA-N 432.442 4.982 30 10 IJEE C=C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1448720551 OZAIZAGPEGNGAR-KRWDZBQOSA-N 439.364 4.975 30 10 IJEE C=C[C@H](CC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccccc1 1463954736 XKAQKKBYHVZMHB-LCJWNIEWSA-N 440.952 4.852 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1464392175 PZJDGEDKJFCYAQ-UHFFFAOYSA-N 442.487 4.594 30 10 IJEE C#CCN(CC(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 1464730514 YONWCSFRLBVUIA-GOSISDBHSA-N 426.479 4.779 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1c(F)cc(I)cc1F 1466843386 KWESZANUTTWDNF-AWEZNQCLSA-N 442.247 4.878 30 10 IJEE CSc1ccc([C@@H](CNC(=O)NCC(C)(C)CC#N)N2CCc3sccc3C2)cc1 1467780879 IDHSVMWKVDCHSG-HXUWFJFHSA-N 442.654 4.808 30 10 IJEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1)C1CC1 1468165373 OLJRLMPQYFDINO-UHFFFAOYSA-N 438.593 4.640 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl 1468847145 CUGTUUQDFDZWOU-XMMPIXPASA-N 434.923 4.949 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC(OCc2ccc(Br)cc2)CC1)c1ccncc1 1468883569 DERGQOOZVSMZRE-OAQYLSRUSA-N 444.373 4.852 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1471235277 SDLYWGHEPFLZEI-KCZVDYSFSA-N 431.621 4.637 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@@H]1CCSC1 1507557433 WWUWSPZJQBRSPM-OAHLLOKOSA-N 437.382 4.592 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1507565193 AFRUHWZBGRPFNI-JOCHJYFZSA-N 435.597 4.787 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](SC)C(C)(C)C 1507641962 FZAHGRIZHMYVTI-IRLDBZIGSA-N 438.641 4.885 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507660413 SVXODJPBOAVKTC-IBGZPJMESA-N 435.572 4.650 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](OCC2CC2)C1 1507838865 ZJUZREMTEMZBPM-IBGZPJMESA-N 448.970 4.726 30 10 IJEE C=CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1507925326 FMBPWYSVZXJSIJ-QFIPXVFZSA-N 435.616 4.625 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2ncccn2)CC1 1507927522 XBSHXPAMEYHJAP-UHFFFAOYSA-N 445.615 4.716 30 10 IJEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OC)c(OC)c1 1507951057 MGIHPBACBDKOFV-OAQYLSRUSA-N 433.556 4.589 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@](C)(CC)O1 1507997778 FVBKJCJLAWXMQW-OFVILXPXSA-N 435.572 4.822 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccn2C)n1Cc1oc(CCC)nc1C 1508005619 SXOVOPUPAUVPSE-UHFFFAOYSA-N 448.546 4.913 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)nc1 1508009477 ZMYAYSUPIYRVOA-UHFFFAOYSA-N 448.590 4.852 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)cc1OC 1515088504 JIOBLAVDWBCBJL-AXDNMFEOSA-N 434.580 4.964 30 10 IJEE CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC[C@@H](F)C1 1515636848 ICCFWFNPWJEKQW-RBUKOAKNSA-N 439.560 4.955 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)c1ccccc1 1519373513 HAYYWDVRQKBHGV-OAQYLSRUSA-N 440.455 4.808 30 10 IJEE N#CC1CCN(c2nnc(C3CCCC3)n2Cc2cccc(COCC(F)(F)F)c2)CC1 1521114511 FOSXXXAXKGWSKB-UHFFFAOYSA-N 447.505 4.803 30 10 IJEE C=CCCC[C@H](C(=O)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccccc1 1521281395 PIZVOPSCNDVRHZ-NVQXNPDNSA-N 431.536 4.990 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CC)c2ccc(OC)cc2)c(C(=O)OCC)c1C 1524510111 TYTMZDATBGOWEQ-KRWDZBQOSA-N 445.537 4.717 30 10 IJEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 1526201683 XASWAEKNOYEAOV-FQEVSTJZSA-N 439.556 4.907 30 10 IJEE COc1ccccc1-c1nnc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)s1 1526672165 HLFKDTCYMOGCQU-UHFFFAOYSA-N 442.500 4.917 30 10 IJEE C=CCC(F)(F)C(=O)N1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 1529258919 CXLBXPJZPJTMKC-VQTJNVASSA-N 436.543 4.963 30 10 IJEE C=CCCO[C@H](C)C(=O)Nc1cc(-c2cccc(Br)c2)sc1C(=O)OC 1535173758 JBNKSMKXLHEYFS-GFCCVEGCSA-N 438.343 4.884 30 10 IJEE COC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(Oc3cccc(Cl)c3C#N)c1)C2 1536739477 CTCDKXPDGGCXSJ-UHFFFAOYSA-N 446.890 4.989 30 10 IJEE C=CCN(C(=O)c1ccc(Oc2cc(C)ccn2)cc1)[C@H](Cc1ccccc1)C(=O)OCC 1537325768 RJCUCIRWNBFCCX-XMMPIXPASA-N 444.531 4.985 30 10 IJEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCN1C1CCCCC1 1539376958 CULIJYACYQROHR-DEOSSOPVSA-N 449.643 4.731 30 10 IJEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1[C@H]1C[C@H](c2cccc(Cl)c2)C1 1539420556 HOMCILZNZVPMBW-XUTJKUGGSA-N 441.000 4.789 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC(C)(C)CC1 1539498243 TXBXINFAUGOESE-UHFFFAOYSA-N 433.419 4.700 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1539498334 SGNVMUXLIHXCLO-JQVVWYNYSA-N 440.613 4.562 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H](C)C1CCCCC1 1539611712 DBMCTPAZDWUVEQ-RCZSKKKRSA-N 445.652 4.583 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC(F)F 1539618883 BPCFINNRVQKFSN-JTSKRJEESA-N 441.526 4.874 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C1CC1 1539620500 LROKJYYHXBBPSS-VQIMIIECSA-N 431.378 4.678 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2Cc2c(C)noc2C)CC1 1539896321 LYYWLGKXOSBHEV-UHFFFAOYSA-N 439.585 4.635 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1539915903 GDNDHQHFXHUMFT-OAQYLSRUSA-N 428.577 4.776 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1cnnn1C 1539945959 XPPXUDOQJBUOPW-UHFFFAOYSA-N 439.633 4.635 30 10 IJEE C=CCCCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 1539952546 GDOGXNGMKPZCJH-JOCHJYFZSA-N 444.004 4.871 30 10 IJEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C 1539963180 MWNQUEUCTJTRTI-OAQYLSRUSA-N 439.604 4.876 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N(C[C@H]1CCOC1)C1CC1 1539985728 PCCZZQUXTSLSJN-CQSZACIVSA-N 437.407 4.741 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCC[C@@H]1OC 1540121671 LVHHTAIVNOGQCL-YADHBBJMSA-N 431.540 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1cc(C)oc1C 1540143480 YWKFEFYNAKHDFK-HSZRJFAPSA-N 426.586 4.917 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1540922437 ODRXXHYDWCHXCS-UXHICEINSA-N 444.670 4.661 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1CCc1cccs1 1541106764 BGRBIKSXFTWFQV-LBPRGKRZSA-N 436.404 4.669 30 10 IJEE C#CCN(CC(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1)C(=O)OC(C)(C)C 1542792724 HHSJTDSNBSULCQ-FQEVSTJZSA-N 436.552 4.622 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)c1 1542859799 AILAORMNDDYMDB-RBBKRZOGSA-N 435.597 4.884 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 1543173936 MBLXCBGCSHEHHB-JOCHJYFZSA-N 429.969 4.798 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)c(Br)c(F)c1 1557010172 AHTHZKBFZQSYMM-CYBMUJFWSA-N 435.721 4.871 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)(C#N)C1 1557620471 WYHFTMJXMUWWAI-SQHAQQRYSA-N 443.547 4.622 30 10 IJEE C#C[C@@H](NCc1cc(Br)c(OCc2ccccc2)c(OCC)c1)[C@@H]1CCCO1 1560446303 HASCWYUWGAQMLL-RTWAWAEBSA-N 444.369 4.697 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 1566412416 QKDFMKHKXHTZIA-RTWAWAEBSA-N 444.934 4.991 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2NCCCc2ccccc2)c1 1567524250 YDWYZPCYSIEDJQ-UHFFFAOYSA-N 446.572 4.781 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H](OCC)C1(C)C 1567637316 NPNLBOKNDAQWIC-NLFFAJNJSA-N 446.588 4.621 30 10 IJEE C=CCOc1cccnc1C(=O)N1C[C@H]2CCCCN2c2cc(Br)c(F)cc21 1584260798 IDQDKLDUPAZGHZ-CQSZACIVSA-N 446.320 4.567 30 10 IJEE C#C[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1ccc(Cl)cc1 1584690083 QGDQZMQLAAVRRJ-MRXNPFEDSA-N 441.550 4.898 30 10 IJEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2(C)CCCC2)CC1 1588865198 QKJVWMYSHUKTTN-UHFFFAOYSA-N 449.643 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C)C(C)(C)C1 1589557158 GXAYIEXTWASBAK-NOXFTYBFSA-N 426.580 4.862 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCN(CC)[C@@H](C)C1 1589708850 XRDBGCWNAZOLET-RBUKOAKNSA-N 432.012 4.795 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(C)C)C1 1594484460 STOBXQVYHSKRQF-QFIPXVFZSA-N 434.588 4.594 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1594536355 XGIPNGCOQCZUMB-WOJBJXKFSA-N 430.980 4.963 30 10 IJEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CCCCC2)CC1 1594651167 IBGBTHRIYNSPKL-UHFFFAOYSA-N 441.595 4.807 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2csc(CC)n2)C1 1595699104 BYEOBCGKYZCJPR-MRXNPFEDSA-N 447.967 4.586 30 10 IJEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCCC2)C[C@@H](C(F)(F)F)O1 1612916634 DADBAXLVJSULCC-JXFKEZNVSA-N 447.505 4.943 30 10 IJEE C=CCn1c(S[C@H]2CCN(c3cccc(Cl)c3)C2=O)nnc1-c1ccc(OC)cc1 1613215213 IUWBFODKCRGDSZ-IBGZPJMESA-N 440.956 4.691 30 10 IJEE CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CSCCS1 1615497986 GQNFITCPTXOVEB-IBGZPJMESA-N 441.651 4.753 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(C)c1F 1618495135 RPPNSYCWDKVVLJ-ZDUSSCGKSA-N 435.721 4.871 30 10 IJEE C=CCn1c(SCC(=O)Nc2ccc(CCC#N)cc2)nnc1-c1ccc(Cl)cc1 1626260190 RTSIINPEAOGGRA-UHFFFAOYSA-N 437.956 4.971 30 10 IJEE C=CCN(CCc1ccccc1)C(=O)CSc1nc2ccccc2nc1N1CCCC1 1626289509 OTIFOVZJMCXKDL-UHFFFAOYSA-N 432.593 4.579 30 10 IJEE N#CC[C@H](CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1)c1ccccc1 1627049609 CVZMDEUNFRCGON-WZONZLPQSA-N 449.352 4.734 30 10 IJEE C#CCN(C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@H]1CCCc2ccccc21 1632222917 ZIZXSKCADIDWHE-VGSWGCGISA-N 441.369 4.939 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 1635030651 VDPHZDDIFLGATM-UHFFFAOYSA-N 438.527 4.577 30 10 IJEE C=CCn1c(SCC(=O)NCc2oc(C(C)C)nc2C)nnc1-c1ccc(Cl)cc1 1637552682 KJJTXNWPXQUXOA-UHFFFAOYSA-N 445.976 4.613 30 10 IJEE Cc1cc(NC[C@H](CO)Cc2cccc(Br)c2)n2c(nc3ccccc32)c1C#N 1642562375 BXVIDJDENBSNKU-QGZVFWFLSA-N 449.352 4.693 30 10 IJEE C#C[C@@H](Nc1ncnc2c1c(Br)nn2C(C)(C)C)c1ccc(Cl)cc1F 1642677508 KKLZXBYWHAHFFS-CYBMUJFWSA-N 436.716 4.923 30 10 IJEE C#CCN(C(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C1CSC1 1645209045 HZDVEEIFJQBLIO-UHFFFAOYSA-N 441.559 4.547 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CNC(CC)(CC)c2ccc(Cl)c(Cl)c2)c1 1652841885 CWRRVIDVHIXIBI-UHFFFAOYSA-N 432.351 4.928 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 1653764290 BBFRNZPAPCAOFJ-NQIIRXRSSA-N 430.335 4.514 30 10 IJEE C=CCn1c(SCC(=O)c2cc(C)[nH]c2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1655970166 PJWHZUIJZSSDDL-GFCCVEGCSA-N 427.595 4.689 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1ccc(C(=O)OC(C)(C)C)cc1 1656649106 XNIRUASSDARRCE-UHFFFAOYSA-N 430.342 4.706 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cc(Cl)ccc2Br)cc1 1658570289 WMJVLFPMQWATAL-UHFFFAOYSA-N 429.767 4.521 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C1CCOCC1 1659200121 OCCDJFWAWJVAFB-QGZVFWFLSA-N 437.393 4.582 30 10 IJEE Cc1ccc(F)c(CN(C)S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1663078964 IDTVREOYESKIEM-UHFFFAOYSA-N 429.357 4.992 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)cc1 1668209965 IHCYCSUWEDLUDN-UHFFFAOYSA-N 448.567 4.540 30 10 IJEE N#Cc1ccccc1Sc1ccc(NC(=O)NCc2ccc(-n3ccnc3)nc2)cc1 1671954644 DNCMLAKGSMLUAJ-UHFFFAOYSA-N 426.505 4.612 30 10 IJEE C=CC[C@H]1CCCN(C(=O)Nc2cc(Br)ccc2I)C1 1673751614 NNOGWOOAVKUTRB-NSHDSACASA-N 449.130 4.874 30 10 IJEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)[C@H]1CCCc2ccccc21 1676812443 INNGURVDAZBBHW-GOTSBHOMSA-N 432.955 4.885 30 10 IJEE C#C[C@@H](NC(=O)NCc1cccc(Cn2cnc3ccccc32)c1)c1ccc(Cl)cc1 1678106961 PCKZOGMOONWFDI-JOCHJYFZSA-N 428.923 4.912 30 10 IJEE C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(Br)cc1 1682357277 WHDUEWSTUZAFOV-IPJJNNNSSA-N 439.353 4.907 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CCC(c3ccc(Br)c(C)c3)CC2)cc1 1682742958 TXCVQYAIEGUBKF-UHFFFAOYSA-N 441.369 4.859 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1689912929 DHSZPXYMMSELJP-MRXNPFEDSA-N 439.922 4.582 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1690182614 DAORBYWOYWQEID-FQEVSTJZSA-N 426.630 4.713 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690220900 DPQVAIIVMKEYRH-WBVHZDCISA-N 437.769 4.512 30 10 IJEE C=C(Br)Cn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1C1(c2ccccc2)CCC1 1690234059 ZNZOVNDVLZOSIV-GOSISDBHSA-N 445.405 4.518 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1C(C)C 1690255596 SYNQFRUSGHOJPD-CSEOROSGSA-N 430.637 4.803 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@@H]1CC 1690320626 YMPYFYYKPYTDFQ-UFYCRDLUSA-N 447.624 4.568 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CC(F)(F)CO2)CC1 1690369130 YXEAFRJIHQOJMV-AWEZNQCLSA-N 429.298 4.833 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOCC2CCOCC2)CC1 1690402860 SHAHZKVIIDGYKU-UHFFFAOYSA-N 445.007 4.834 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2OC(F)F)CC1 1690413276 NBJOPBGIDXSEHS-UHFFFAOYSA-N 430.524 4.983 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 1690447887 ZGPRRKVOGLTXGQ-PKTZIBPZSA-N 449.643 4.722 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C1CCCCC1)N(C)C 1690521162 SHFTYNNSZKDIEL-HXUWFJFHSA-N 446.437 4.840 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC=CO1 1690572308 YNQISCCXNHPXMD-HXUWFJFHSA-N 439.560 4.658 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC2CCCCC2)C1 1690714469 MZMPEHDJDRFWDQ-HXUWFJFHSA-N 442.629 4.941 30 10 IJEE CCc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCN(C(C)C)C2)cc1 1694493988 FEYOEGLSQKIINV-HSZRJFAPSA-N 434.632 4.758 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705528379 DRJMRJCYEXKJBS-DNQXCXABSA-N 436.600 4.931 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CC[C@@](C)(CC)O1 1705589323 PBDCQOPCGMKASI-VMODYCNZSA-N 448.611 4.846 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccncc1Cl 1705592751 SLWSXXNPVZRROP-UHFFFAOYSA-N 444.753 4.812 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1(N(C)C)CCCCC1 1705602471 WGWDHVOAEYCMHD-UHFFFAOYSA-N 449.668 4.606 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(SCC)c1 1705608357 OIIGNSHIENZASR-UHFFFAOYSA-N 441.988 4.622 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 1705656699 GFBFSKBVXZLQIR-SFHVURJKSA-N 442.629 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)cc2)n1CC(CC)(CC)OC 1705670527 YBKNTXFWQSBAHI-OAQYLSRUSA-N 445.405 4.905 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1705701313 ANRYKMVCRFZPEV-YLJYHZDGSA-N 445.489 4.910 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(Br)c1 1705702133 KRIQZQZWHZEWLH-NQIIRXRSSA-N 447.421 4.857 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC[C@H](C(=O)OC)C1 1705721253 RRHYAQPBSGXLEK-MSOLQXFVSA-N 446.979 4.654 30 10 IJEE C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCO[C@](C)(CC)C1 1705723544 ALZKNFLPBSXCMF-XMMPIXPASA-N 428.577 4.714 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]2CCC[C@H]21 1705739318 BUMBTTVYFXVBHE-WIYYLYMNSA-N 430.980 4.872 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1705785891 AMBPVQNWGNBLLQ-WOJBJXKFSA-N 441.595 4.834 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CC)C1)c1ccccc1 1705797770 CBIQNTHHVRVFQM-IRLDBZIGSA-N 437.613 4.609 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCSC1(C)C 1705878272 LXYJKWWTAVWXLE-LEWJYISDSA-N 426.630 4.896 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCO[C@@H]2CCCC[C@@H]2C)C1 1705916580 LOHADRANUSQHJE-VLCRHTCISA-N 445.007 4.975 30 10 IJEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705940181 YAMUVJTWFJUIEA-FHWLQOOXSA-N 449.665 4.547 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCCc2cccc(C)n2)c1 1707165679 ATOMQHJMUJINCF-UHFFFAOYSA-N 444.583 4.550 30 10 IJEE Cc1ccc(Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N(C)[C@@H](C)CC#N)cn1 1707494734 ABZQYAKVCNSIRG-FQEVSTJZSA-N 432.572 4.860 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC1(N(C)C)CCCCC1 1722283712 WKXOGBBANWRJLL-RTBURBONSA-N 439.673 4.854 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOc1ccc(C)cc1 1722306269 QCLMLMFAVSSXFE-MDNUFGMLSA-N 438.616 4.822 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(C)(C)C 1722500562 CHIIXUDBGIBKCK-NZQKXSOJSA-N 426.605 4.937 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CC)C[C@H](C)CC 1722505276 AZHDMXCZNGJVLH-VKGYTVAMSA-N 440.588 4.644 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N(C)CC1CC(F)(F)C1 1722507187 WYHPYKXSFPRJPE-RBBKRZOGSA-N 430.543 4.526 30 10 IJEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 1722539763 YWKOHJUGXWZALS-INIZCTEOSA-N 439.501 4.527 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CSCCS2)CC1 1722564398 PFIFGTAWVYMNIQ-IRXDYDNUSA-N 434.606 4.562 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCSC1 1722598283 CCNOYGRITLWGNR-NQIIRXRSSA-N 428.602 4.726 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN(C)C1CCCC1 1722642944 BOXDGSYNHKOZMJ-UHFFFAOYSA-N 425.621 4.651 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCO[C@H]1C(C)C 1722643651 VLTXYIQTUIFFRQ-XXBNENTESA-N 426.605 4.838 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1CCCN1CCC(C)CC1 1722657861 QIPDAVUISKZGIG-XMMPIXPASA-N 437.632 4.834 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS[C@H](CC)C1 1722737837 SQQLGLJLROBHPV-GOSISDBHSA-N 441.626 4.851 30 10 IJEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)C1CCCCC1 1727092064 FMIAUNKIHQNJFJ-MOPGFXCFSA-N 436.604 4.527 30 10 IJEE N#CCC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)CC1 1731188955 CRKDTFNGTAYKQF-MRXNPFEDSA-N 434.371 4.809 30 10 IJEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1740593978 XJVZVADGTVFJEM-FQEVSTJZSA-N 426.973 4.575 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H]1CCC=CO1 1740647176 OSOZARVMVXVRPJ-OAQYLSRUSA-N 443.576 4.533 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cc(C)cs1 1740738356 JGBVKUUUFIEJAW-UHFFFAOYSA-N 448.346 4.768 30 10 IJEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccccc1C 1740745591 YYRAJMUNDBVREU-UHFFFAOYSA-N 435.410 4.989 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1740863901 HXVZHSWKXKZABM-RBBKRZOGSA-N 437.636 4.823 30 10 IJEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)c1cccc(C)c1 1740893034 VBKFJEPFPASOOV-MRXNPFEDSA-N 428.378 4.780 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1740922462 IGGQIIPWULCGNG-NRFANRHFSA-N 433.581 4.886 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(F)(F)F)cc1 1741516075 FZZMKKGEFFNYBQ-UHFFFAOYSA-N 445.493 4.512 30 10 IJEE Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1Cc1ccc(Cl)cc1F 1742783074 DUTFMEBNOZMSPK-UHFFFAOYSA-N 430.755 4.748 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(CC)CC1 1749066239 IOAQUUZCVUNZHL-XMMPIXPASA-N 441.620 4.575 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1749072129 GVJUIWDWCMJRLP-UMEGOILYSA-N 439.673 4.679 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCC(C)(C)C1 1749073468 QNLQUANJBNRUJG-HHHXNRCGSA-N 449.643 4.588 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1Cl 1749127068 JEDIYLBKSXOJJT-UGKGYDQZSA-N 437.975 4.920 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(F)(F)CC1 1749215807 GJYBJDGJWXEXQC-INIZCTEOSA-N 436.572 4.960 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCS[C@@H](C)[C@H]1C 1749256791 CJMSAPSFAKHORU-MNOVXSKESA-N 433.828 4.852 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1Cc1cc(Br)cs1 1749384242 WQKRVAARKCILCC-UHFFFAOYSA-N 447.406 4.790 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC1(C)CCOCC1 1749547569 SWXOVPSTOJLMTK-UHFFFAOYSA-N 435.547 4.797 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](SC)C(C)(C)C)C1 1749715204 QQKHRJLVKORPED-RTWAWAEBSA-N 428.646 4.736 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(OC2CCCC2)nc1 1760109050 PTDFUOYXDKQXBC-QGZVFWFLSA-N 435.959 4.821 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1760144977 FYWIHPKNHGFWFS-LAUBAEHRSA-N 440.931 4.656 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CC=CCC1 1760329235 UVRJDQDQKPPDTD-IBGZPJMESA-N 427.980 4.620 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@@H]1CC 1760351229 CEQXAMGMBNVAEG-GJZGRUSLSA-N 439.423 4.987 30 10 IJEE C=C1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2CCCC2)CC1 1760387977 XORLBPYCHHRNLU-FQEVSTJZSA-N 429.609 4.739 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](N2CCCCC2)C1 1760413376 GSYQGODVRPYMOV-JOCHJYFZSA-N 437.632 4.544 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(COC)CC1 1760446275 MLYCUNITDZVUHW-SFHVURJKSA-N 444.645 4.587 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)S[C@H](C)C1 1760447972 UULTZETXLKDWJC-SVFBPWRDSA-N 444.645 4.958 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(SC)CCOCC1 1760457538 WEMIHXDGZCPFTP-UHFFFAOYSA-N 432.659 4.810 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2)CC1 1760490668 GAUFQAUXPJZXGN-UHFFFAOYSA-N 438.373 4.946 30 10 IJEE CC(C)(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCS2)CC1 1760797581 CBWDRZNOBKISST-XMMPIXPASA-N 439.629 4.886 30 10 IJEE CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1CC(C)(C)C1 1761846275 FMIIYTQVYXXTOW-HXUWFJFHSA-N 434.632 4.812 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@H](C)C1 1771100074 FYOVJEZRWFWYRE-CVDCTZTESA-N 444.583 4.609 30 10 IJEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(-c2ccccc2Cl)nc2ccccc12 1772790687 SNLHMWRNQAMKJB-UHFFFAOYSA-N 428.831 4.923 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2c3c(nc4ccc(F)cc24)CCCC3)nc1C 1859644088 CUSALKZIDHAVHI-UHFFFAOYSA-N 425.485 4.613 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1862384641 WWMKXGZSOIHXIT-QGZVFWFLSA-N 433.247 4.642 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 1862392147 QNCRSDBVGFKZOX-QFIPXVFZSA-N 440.971 4.823 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 1862396621 JGIDTPAAYMQOAU-HSZRJFAPSA-N 435.564 4.897 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1cccc(O)c1 1862411831 PWOSIKOBRCJEJN-WHIIXXIBSA-N 427.447 4.827 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862419354 RETDZQQEWATBSD-IBGZPJMESA-N 430.407 4.642 30 10 IJEE Cc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(O)cc2)cc1 1862473672 DUYJSWGTXATPTE-XMMPIXPASA-N 427.500 4.830 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862482647 POLQRPUTCSBCCD-HXUWFJFHSA-N 447.362 4.832 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3F)[C@H]2c2cccc(Cl)c2)c1 1862557766 PNCFJFXYNLOHQD-NRFANRHFSA-N 436.870 4.840 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C[C@H](C)O)cc1 1862581721 ODXISWGLEAAQGF-BUXKBTBVSA-N 434.319 4.515 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]1c1ccc(OC)cc1 1862618459 USWFNQWNGXWGHU-JOCHJYFZSA-N 437.536 4.608 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(C)c3)[C@@H]2c2ccccc2)cc1F 1862636838 POVKTVPRWUZEEY-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCCCC3)[C@H]2c2cccc(O)c2)cc1F 1862639335 WAUSTBPVSATPNC-QFIPXVFZSA-N 439.483 4.841 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3ccc(-c4ccccc4)cc3)=C(O)C(=O)N2C[C@H](C)O)c1 1862721457 FPHCZWQGCPHLFE-UUOWRZLLSA-N 427.500 4.621 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)cc2F)C1=O 1862936983 QMHTVKDXFQSOAZ-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE CCCCCCCCN1C(=O)C(NCc2ccccc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863597016 PUWYHKABJZESKU-UHFFFAOYSA-N 435.524 4.825 30 10 IJEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)CCCOc1ccc(Cl)cc1Cl 1866014123 RIAVIJDMUXOWGH-UHFFFAOYSA-N 433.270 4.988 30 10 IJEE Cc1ccccc1CCCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1867118630 MBUIYPQGKPFYMW-RUZDIDTESA-N 443.522 4.695 30 10 IJEE C=CCN(CC=C)c1cc(N2CCc3cc(OC)c(OC)cc3[C@H]2C(C)C)nc(CC)n1 1869128066 MADWYDFLRLZOQT-AREMUKBSSA-N 436.600 4.994 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2ccccc2C)cc1=O 1870810319 XEZZGSJHHHKFSY-UHFFFAOYSA-N 434.536 4.594 30 10 IJEE C=CCOc1cn(CCCCN2CCCC2)c(CNc2ccc(Cl)c(C)c2)cc1=O 1870812790 ZKLORNBKVSUVAB-UHFFFAOYSA-N 429.992 4.863 30 10 IJEE CCc1ccccc1NCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1C[C@@H]1CCCO1 1871252373 XRILGHNKLIYXIE-DEOSSOPVSA-N 443.547 4.652 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1ccc(F)cc1)O2 1871421203 VSRTVIJFECNMHJ-FBHDLOMBSA-N 448.406 4.676 30 10 IJEE COc1ccccc1CNC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871433494 BRHCQDSMCWCKFI-OYKKKHCWSA-N 443.499 4.623 30 10 IJEE COCCOC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 1871437885 GGTMETFXHFFFFH-WPGBELRESA-N 438.520 4.866 30 10 IJEE CCCCCCCCN=c1nc(N(CCC)CCC)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871666858 MMLICNIRGPKVEL-UHFFFAOYSA-N 428.625 4.866 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C)S(=O)(=O)c1ccc(F)cc1 1871983624 UTDQOTVETLAVFH-JOCHJYFZSA-N 432.561 4.673 30 10 IJEE C=CCN([C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)C(C)C)S(=O)(=O)c1ccccc1 1872013781 KZCFHZRGFZZBOD-QFIPXVFZSA-N 428.598 4.824 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CCCC 1872117902 ZVNWFCZWVVWUDM-INIZCTEOSA-N 440.915 4.694 30 10 IJEE Cc1cc(C)c(-c2csc([C@@H](C#N)C(=O)CCc3nc4ccccc4[nH]c3=O)n2)c(C)c1 1872786030 CAJBDRBFIWCQOA-KRWDZBQOSA-N 442.544 4.781 30 10 IJEE CCCCCCCCCCNC1=C(c2cc(F)cc(F)c2)C(=O)N(C[C@H]2CCCO2)C1=O 1873111045 OYNIGLBSUOFBDL-OAQYLSRUSA-N 448.554 4.954 30 10 IJEE C=CCNC(=O)c1c(NC(=O)CCCOc2ccccc2Cl)sc2c1CCCC2 1873442286 HRNNPMGQQKVQCM-UHFFFAOYSA-N 432.973 4.994 30 10 IJEE O=c1c(Br)c(N/N=C/c2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1 1873527007 HJZODGSKKGKRQG-ZVBGSRNCSA-N 438.112 4.748 30 10 IJEE CCCc1ccc(OCc2nnc(SCC)n2/N=C/c2cccc(OC)c2O)cc1 1874257805 UGDYHNADVQVWPR-OEAKJJBVSA-N 426.542 4.518 30 10 IJEE CCCOc1ccc(/C=N/n2c(Cc3ccccc3F)nnc2SC)cc1OCC 1874372457 ADUXOKJZEVSBJW-BUVRLJJBSA-N 428.533 4.800 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2/N=C/c2cccc(F)c2)o1 1874438216 PLWFJBZMOIHOCE-ZMOGYAJESA-N 444.532 4.950 30 10 IJEE CCc1ccc(/C=N/n2c(SCC(=O)Nc3ccc(C)cc3)nnc2C(F)(F)F)cc1 1874460923 MUFKCVUJUFFDNA-BRJLIKDPSA-N 447.486 4.781 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2/N=C/c2ccccc2C)c(C)c1 1874463823 DDICAQMLUVPQNQ-OPEKNORGSA-N 447.486 4.835 30 10 IJEE C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1ccccc1F)c1ccccc1 1874468485 KDQFRTIFUHQTEF-MMDHUZEPSA-N 449.511 4.529 30 10 IJEE CCCc1nnc(SCc2ccccc2F)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874507491 GFBATYOGMLYMRA-FOKLQQMPSA-N 434.924 4.912 30 10 IJEE CC(C)c1nnc(SCCO)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 1874516677 CGMZCBMKNIMCQC-YDZHTSKRSA-N 430.961 4.601 30 10 IJEE COc1ccccc1C(=O)/C=C/c1cc(Cl)ccc1OCC(=O)NCc1ccco1 1874577058 UOHRBWNAOISANI-CSKARUKUSA-N 425.868 4.533 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)C(F)(F)F 1875082430 DTZOCLDITKCBFH-AATRIKPKSA-N 429.734 4.621 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)ccc1OC(=O)c1ccncc1 1875147500 WQKUAQLVQOCACM-VMPITWQZSA-N 433.460 4.613 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2ccccc2C(F)(F)F)[C@@H]1c1ccc(C#N)cc1 1889842781 COTGZSXJLQGBRA-VQTJNVASSA-N 447.482 4.609 30 10 IJEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3cc(Cl)c(Cl)c(Cl)c3Cl)C2)c1 1891567187 QGDNKJZAAWBXIO-JTQLQIEISA-N 431.106 4.860 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CC(CNC(=O)OC(C)(C)C)C2)c1 1942878141 NNFXIPBSCPFLTB-UHFFFAOYSA-N 431.533 4.634 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@@H]1c1ccc(Br)o1)c1ccccc1 2033812912 AYZYQPDNZQSVMI-QGZVFWFLSA-N 444.306 4.882 30 10 IJEE COc1ccc(C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc1CN1CCCCC1 2042436872 ORXWFPMJVWYUHU-UHFFFAOYSA-N 425.525 4.603 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Br)c1)NC 2047970656 MBVUBWZTPYSRMC-IRXDYDNUSA-N 429.786 4.540 30 10 IJEE CCOP(=O)(OCC)c1cn(-c2ccc(C(F)(F)F)c(F)c2)nc1C(F)(F)F 2080381004 JSAHPKQWVFDVOR-UHFFFAOYSA-N 434.248 4.940 30 10 IJEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(Cl)c(C)c(Br)c1)NCC 2111272654 MCRXJQZQEJRXHP-ZWKOTPCHSA-N 443.813 4.848 30 10 IJEE CN(c1cc(Br)cc(F)c1C#N)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2118192583 QKNNCVOSXAPYGX-ZIAGYGMSSA-N 426.330 4.732 30 10 IJEE C=CCC1(Oc2nc(Br)ccc2OC)CCN(C(=O)OC(C)(C)C)CC1 2128070003 NJXFUKJEFIYKEK-UHFFFAOYSA-N 427.339 4.577 30 10 IJEE CCN[C@@H](CC#CC1CC1)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2146395501 AQFOQEQESUQOEV-VQTJNVASSA-N 435.406 4.667 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(c3cc(Br)cc(F)c3C#N)C2)C1 2174807745 FYMACUZHLRXZFA-FQEVSTJZSA-N 438.341 4.687 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(c3cc(Br)cc(F)c3C#N)C[C@H]2C1 2174812119 HGMNFMDODWUDDH-KBPBESRZSA-N 438.341 4.543 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2181144669 WWEUDTGKVSBGSL-XJKSGUPXSA-N 436.350 4.590 30 10 IJEE Brc1sc(C#C[C@@H]2CCCCN2)c(Br)c1Br 2212188723 DHJNHFPURZVIAA-ZETCQYMHSA-N 427.987 4.529 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2235718962 FCLHOLWFYQXHKQ-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](N)C#Cc2ccccc2Br)CC2(CCCC2)C1 2235721460 INNSQUDEXPPTJO-GOSISDBHSA-N 433.390 4.746 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)c1ccc(Br)cc1OC 2239664405 KPIUSCBRRSIBFV-MJGOQNOKSA-N 439.394 4.805 30 10 IJEE CCN[C@H](CC=CC#CC(C)(C)C)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2256733488 OEFBCHGVZALADR-XMMPIXPASA-N 441.660 4.987 30 10 IJEE C=C(COCc1ccccc1)[C@@]1(OCCC(=O)O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 2261827424 GUHATOTUNABSPJ-VWLOTQADSA-N 447.572 4.657 30 10 IJEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N[C@H]2CN(Cc3ccccc3)C3(CCCCC3)C2)OC1(C)C 2267091515 RAZVXDGJCNTAPY-BHIFYINESA-N 438.421 4.562 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2296289299 QDGNCXAFLXDGLT-UXHICEINSA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)NCCc1cccc([C@H](N)C#Cc2ccc(Br)cc2)c1 2296300817 MUMOHNUOKVHIFR-HXUWFJFHSA-N 429.358 4.568 30 10 IJEE C#CCOc1c(Cl)cc(C=C2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 2297308126 KVVOHZCRFTYQIN-UHFFFAOYSA-N 431.872 4.736 30 10 IJEE CSCC#C[C@H](N)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2299660712 PIEIXFQFEQKAMY-OZXSUGGESA-N 433.573 4.572 30 10 IJEE C[C@@H](Oc1ccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1)C(=O)O 2313565022 MYUOXSNUWLFMFF-SNVBAGLBSA-N 437.304 4.737 30 10 IJEE CN[C@H](C#CCSC)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2314695591 WHSBOMGVBREIIZ-SQHAQQRYSA-N 447.600 4.832 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(Cc2ccc(F)cc2)CO1 2322051937 FEQBECHPYDGMKL-UHFFFAOYSA-N 432.407 4.702 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(CCc3cccs3)CO4)C2=O)c(OC)c1 2322193453 XFCBSKJKFQHPSW-UHFFFAOYSA-N 449.528 4.776 30 10 IJEE Cc1cccc(C=C2Oc3c(ccc4c3CN(C[C@@H]3COc5ccccc5O3)CO4)C2=O)c1 2322234756 OLLRNLUWNSMSOA-LJQANCHMSA-N 441.483 4.603 30 10 IJEE Cc1nc2ccc(C(=O)Oc3ccc4c(c3C)OC(=Cc3cccnc3)C4=O)cc2nc1C 2323556713 KZEJYKAKOYCLQR-UHFFFAOYSA-N 437.455 4.785 30 10 IJEE CCCN(CCC(=O)OCC)Cc1c(O)cc(C)c2c1OC(=Cc1cccs1)C2=O 2323992251 NILPMNZVMQTAIG-UHFFFAOYSA-N 429.538 4.544 30 10 IJEE CCCCN(CC)Cc1c(O)ccc2c1OC(=Cc1cc(OC)c(OC)cc1OC)C2=O 2324120595 ABOUJUHNPDKKMP-UHFFFAOYSA-N 441.524 4.656 30 10 IJEE Cc1c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c1OC(=Cc1ccccc1)C2=O 2324972482 NQFKJWWALDSVOJ-UHFFFAOYSA-N 430.416 4.537 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccco1)C2=O)Nc1ccc(C(F)(F)F)cc1 2325535624 VRGZIYMXTMHIQN-UHFFFAOYSA-N 429.350 4.932 30 10 IJEE Cc1cc(OC[C@H]2CCCO2)cc2c1C(=O)C(=Cc1cc(Cl)cc3c1OCOC3)O2 2325686243 AUAFCTHABWQLRB-QGZVFWFLSA-N 428.868 4.689 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1)O2 2325744823 QKHCVGGDYUOGNJ-UHFFFAOYSA-N 430.456 4.612 30 10 IJEE COc1ccc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)cc1OC(=O)c1cnccn1 2325752435 SSNSGMDWGUJKKK-UHFFFAOYSA-N 446.503 4.907 30 10 IJEE O=C(C=Cc1cc(Br)c(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2325791484 ZIDGGPZFPLMFGR-UHFFFAOYSA-N 427.048 4.722 30 10 IJEE COc1ccc(C=Nn2c(CCCOc3c(C)cccc3C)nnc2SC)cc1OC 2326357964 WVEWONMDSHPDIB-UHFFFAOYSA-N 440.569 4.528 30 10 IJEE Cc1ccc(CSc2nnc(Cc3ccccc3[N+](=O)[O-])n2N=Cc2ccccn2)cc1 2328436713 PEMGPUBEIBBULY-UHFFFAOYSA-N 444.520 4.655 30 10 IJEE Cc1ccc(OCc2nnc(SCc3ccccc3)n2N=Cc2cccn2C)c(C)c1 2328897913 UICVMZDAZMDELS-UHFFFAOYSA-N 431.565 4.987 30 10 IJEE Cc1ccc(Cc2nnc(SCCCO)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2330024634 ZBYLZXNJUBIQNM-UHFFFAOYSA-N 435.380 4.841 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N=Cc2ccc[nH]2)cc1C 2330627990 YEXPHJQUKRTTPW-UHFFFAOYSA-N 430.537 4.503 30 10 IJEE CCc1ccc(C(=O)C=Cc2ccc(OC(=O)[C@@H]3CCCO3)c(Br)c2)cc1 2330747920 MUSSUHGVBLVLOT-NRFANRHFSA-N 429.310 4.992 30 10 IJEE CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1N=Cc1ccc(C(C)C)cc1 2331165742 XESLMULXPDFTRB-UHFFFAOYSA-N 425.558 4.504 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccc1Cl 2331429567 HOBLIDDJQVGUPJ-UHFFFAOYSA-N 427.961 4.743 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1c[nH]c2ccccc12 2331429589 JVKOQUXQCFLWQP-UHFFFAOYSA-N 432.553 4.571 30 10 IJEE CC(C)Cc1nnc(SCc2ccc(Cl)cc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331467551 CVZDLIOBGDSOKW-UHFFFAOYSA-N 445.932 4.918 30 10 IJEE O=C(CSc1nnc(C2CC2)n1N=Cc1cccc(Cl)c1)Nc1ccc(F)cc1 2331727360 HNRZTGICNMECDV-UHFFFAOYSA-N 429.908 4.561 30 10 IJEE CC(C)(C)OC(=O)NCC1(COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCC1 2339595564 CDAHBILUCKCNTJ-UHFFFAOYSA-N 444.381 4.800 30 10 IJEE CN(C(=O)OC(C)(C)C)C1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1 2339597976 WOIDZVGCZVLHJG-SDNWHVSQSA-N 443.397 4.562 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 2358671933 PNYXCZPLLFXBJW-GGPKGHCWSA-N 433.390 4.638 30 10 IJEE CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@@H]1C=NN(C)[C@@H]1C 12406799 RERQDWLOTGXDHK-QJMRKGMQSA-N 436.600 4.973 30 10 IJEE CCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 20076018 VVPIDPIALFCRRH-UHFFFAOYSA-N 431.452 4.895 30 10 IJEE COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1O 21238713 VPRMUFKXTKDXHL-KGLIPLIRSA-N 432.303 4.712 30 10 IJEE CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc2sc(C)c(C)c2c1=O 22072069 CTQIJDFMTPMOBD-HTONAGSSSA-N 446.642 4.506 30 10 IJEE CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3c(OC)cccc3OC)ccc2C1=O 39753870 CSCMOUPEKXHTAT-UCQKPKSFSA-N 446.455 4.938 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1OC 40098408 IEJSMRCCPDSLGL-OAQYLSRUSA-N 435.476 4.828 30 10 IJEE CC(C)c1ccc([C@@H]2/C(=C(/O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)cc1 102505587 NVXOZJGJEZJESP-UGUGFTGJSA-N 432.520 4.540 30 10 IJEE COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1OC 102906980 DUPQARZSTSKFSM-FEYWKWKCSA-N 429.472 4.639 30 10 IJEE COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N/c1ccccc1C 105758188 IOQNREOOOIMXAI-YPYXJLKGSA-N 445.972 4.564 30 10 IJEE CCc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(O)cc2)cc1 169959540 IRQZMIWETXROKE-HXUWFJFHSA-N 434.517 4.811 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2C)cc1 170088692 NXAGQMZZIIYNQV-JOCHJYFZSA-N 444.443 4.695 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)c(C)c3)[C@@H]2c2ccco2)c1 170090293 LUELDTUZVBKPGH-NRFANRHFSA-N 437.423 4.527 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccnc2)c1 170185578 XYSUWXJZFYASKG-FQEVSTJZSA-N 449.304 4.935 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 170237101 DKOPZYJIKSDHGX-HXUWFJFHSA-N 425.868 4.590 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3ccccc3F)ccc2O1 170247028 BZQOXJLDAVFOBX-FPTDNZKUSA-N 449.503 4.989 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccc2c(c1)CCCO2 170249218 REFHQCRRTMAOHE-QHCPKHFHSA-N 429.447 4.934 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2c2ccccc2)cc1 170265452 ZXZHUYUHKUPLPZ-QFIPXVFZSA-N 428.444 4.940 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccc(OC(C)C)c2)c1 170432061 LDALVDQUOYHFCS-QHCPKHFHSA-N 447.487 4.854 30 10 IJEE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1ccc(C(C)=O)cc1 252597083 COZPTWCGKLLYJK-OAQYLSRUSA-N 435.549 4.652 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCCCCC[C@H]2C(=O)O)cc1OC 426743884 BKOAOPNGFOKTMR-NVXWUHKLSA-N 426.351 4.536 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 476792103 AWPUNEKAGIPEGX-UHFFFAOYSA-N 429.314 4.884 30 10 IJEE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccncc2)c1OC 526490035 CYIWOMPKQGZGNC-OAQYLSRUSA-N 447.878 4.681 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccccn2)cc1OCC 526606064 CGRJHGKAZPGVAV-XMMPIXPASA-N 441.487 4.808 30 10 IJEE N#Cc1ccc(CNC(=O)c2cccnc2Sc2ccc(Br)cc2)c(F)c1 609229939 XZCYMCLDIYYULY-UHFFFAOYSA-N 442.313 4.936 30 10 IJEE C=C(C)CNC(=S)/C(=C(/O)c1cc(OC)c(OC)cc1Cl)[n+]1ccc(CCC)cc1 731493810 HSAVZOOSOKLOIC-UHFFFAOYSA-O 448.008 4.974 30 10 IJEE COCCOc1cc(C)ccc1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 755174460 HKVZXPBNZVGHLW-UHFFFAOYSA-N 435.549 4.620 30 10 IJEE COc1cccc([C@H](O)CN(Cc2ccccc2)Cc2cc(Cl)ccc2OCC#N)c1 766123075 YFECIUXFUGLIOF-XMMPIXPASA-N 436.939 4.987 30 10 IJEE O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)CCc2ncc(C(F)(F)F)cc21 777467668 MOLMYBXSVOSGRC-FOWTUZBSSA-N 439.437 4.698 30 10 IJEE COc1ccc(-c2nn(CN3CCC(C)(C#N)CC3)c(=S)n2-c2ccc(OC)cc2)cc1 779880323 YQBROGLSTADMGO-UHFFFAOYSA-N 449.580 4.671 30 10 IJEE CCc1cc[n+](/C(C(=S)N[C@H](C)Cc2ccccc2)=C(/O)c2ccc(C#N)cc2)cc1 786036854 CLDPRSGBLCIASY-LJQANCHMSA-O 428.581 4.840 30 10 IJEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1ccc(Cl)c(Cl)c1 925038034 CCVBHROUQOKTGP-UHFFFAOYSA-N 437.226 4.820 30 10 IJEE CCOc1ccc(C=NNc2nc(SCC(=O)Nc3cccc4ccccc34)n[nH]2)cc1 1084653371 LVLPWWRPJXXYDF-UHFFFAOYSA-N 446.536 4.533 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 1124294852 CUSMQENKBHBWTE-UHFFFAOYSA-N 445.950 4.749 30 10 IJEE C=CCN(C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1)c1ccccc1 1124819626 LOEFMLKZTMNJHT-UHFFFAOYSA-N 426.582 4.557 30 10 IJEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3Oc3ccccc3)CC2=O)cc1Cl 1125482782 CATDIJUOZPHFQR-IBGZPJMESA-N 445.906 4.673 30 10 IJEE Cc1ccc(Cl)c2sc(NC(=O)COc3ccc(C#N)c(Br)c3)nc12 1128844642 DTIVSLBZTVMSBK-UHFFFAOYSA-N 436.718 4.910 30 10 IJEE Cc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)cc1 1129474034 HRSVMEAZKKYLMX-LSDHHAIUSA-N 437.594 4.926 30 10 IJEE O=C(CN1C(=O)CCc2ccccc21)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1130332209 HTUOITKHXCYDLT-UHFFFAOYSA-N 448.338 4.894 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(C)C)cc1OC 1131459553 MWUCLBTXRBPGRE-PEBGULEFSA-N 434.580 4.642 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 1147166612 RRIMVDRRLSLZRO-CVDCTZTESA-N 426.582 4.969 30 10 IJEE C=CCn1c(SCc2n[nH]c(C)c2C(=O)OCC)nnc1-c1ccc(C(C)(C)C)cc1 1164534432 FFBJHFAOOXWJRF-UHFFFAOYSA-N 439.585 4.929 30 10 IJEE Cc1c(C#N)c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nc2c1CCC2 1165281823 CVVLCAXKSBVHES-UHFFFAOYSA-N 442.516 4.883 30 10 IJEE C=CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H](Cc1ccccc1)C(=O)OCC 1180897676 XXDKVXVLAWGBTN-OAQYLSRUSA-N 432.605 4.684 30 10 IJEE Cc1cc(Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)ncc1C#N 1184695500 HZWSPLSLLQVYQK-UHFFFAOYSA-N 449.337 4.818 30 10 IJEE N#Cc1ccc([C@@H](O)CN2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)cc1 1194298933 BMEWWKNAEJPBGG-SANMLTNESA-N 447.966 4.646 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(c2ccccc2)(N2CCCC2)CC1 1198203426 ZDKZXNCCNRWWQB-QFIPXVFZSA-N 437.653 4.738 30 10 IJEE C#CCOc1ccccc1CNC(=O)Nc1cccc(CN(CC)C(=O)OC(C)(C)C)c1 1200715086 ZSAIMTXIECITEU-UHFFFAOYSA-N 437.540 4.777 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc2ccn(CCOC)c2c1)c1ccc(Br)cc1 1202580800 FYCFYXFMYYBHJB-IBGZPJMESA-N 426.314 4.546 30 10 IJEE N#CCCN(CCN1CCOCC1)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 1204153164 BBWGWBCALYHZRL-UHFFFAOYSA-N 434.367 4.834 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@H](C)C2)c1 1209497924 KDIFFWVNLDVEJF-NRYAXDJKSA-N 440.609 4.757 30 10 IJEE Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2)cc1 1214955577 FKMHJRPVRCYZJJ-XMMPIXPASA-N 440.503 4.976 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H](C)Cc1c(OC)cc(OC)cc1OC)c1ccc(F)c(F)c1 1234556658 VLDDVGOYFBMIIL-PEBXRYMYSA-N 434.483 4.538 30 10 IJEE C=CC(C)(C)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1 1252887608 GCYKNOIYSDEQGR-WOJBJXKFSA-N 433.568 4.820 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccccc1 1254094495 QRZLURQFYDIPEH-VQTJNVASSA-N 429.923 4.981 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(F)(F)F)C1 1286313522 BLLBQQHIQWGTOA-SFHVURJKSA-N 447.505 4.729 30 10 IJEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccccc2)C1 1286335115 FKOMOVBYNNEMFH-XPWALMASSA-N 436.600 4.578 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)C[C@H](C)CC 1286347047 GMWHGHLCHHUYQM-UXHICEINSA-N 431.625 4.678 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](OC)C(C)(C)C 1286450920 NPBKPZMJQOMOEY-OAQYLSRUSA-N 426.605 4.675 30 10 IJEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1[C@@H]1C[C@H]1C(C)C 1286457737 UWTFXOUTUMYACS-HLAWJBBLSA-N 445.007 4.991 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(OC(F)F)c(F)c1 1286524079 DIAXTMFEVRKLLJ-JOCHJYFZSA-N 446.498 4.711 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)Cc2cc(OC)c(OC)cc2C)nnc1C(C)(C)C 1286565042 IQQSPMMOGMJMSV-AVRDEDQJSA-N 442.604 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(COCC(F)(F)F)cc1 1286571000 GSULNEFZDWXSBP-UHFFFAOYSA-N 433.478 4.803 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286674688 UHZDVNDLMKWZNO-IBGZPJMESA-N 442.608 4.697 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1286730576 IXRUPHCVUWMLTA-LPHOPBHVSA-N 438.494 4.857 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCCC1(C)C 1286730781 NSMOYAKNXGNXDG-VWLOTQADSA-N 426.605 4.718 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CC1(OC)CCCCC1 1286743089 YYYPIDKBUMRMDS-HSZRJFAPSA-N 449.599 4.933 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC[C@@H](OC)C(F)(F)F 1286749060 IZJLKCRTFOQGSG-DLBZAZTESA-N 444.523 4.741 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1Cc1c(C)nn(-c2ccccc2)c1C 1286754752 FCWQRMXIVLWNEN-UHFFFAOYSA-N 439.567 4.678 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1Cc1nc(C(C)C)cs1 1286764472 QBAXGTNQNKCSJX-UHFFFAOYSA-N 434.569 4.796 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2ccsc2)c1 1290333057 FXQHWWJDVDXDQA-QHCPKHFHSA-N 449.605 4.792 30 10 IJEE CCCN(CCC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1294557231 HUPXDVGSZRMEEN-SFHVURJKSA-N 440.592 4.699 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1(C)C 1299424716 HWCHPUIZUYPPJI-UHFFFAOYSA-N 435.524 4.822 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1csc(C)n1 1300563866 OYIVLTDCNWIXJW-KRWDZBQOSA-N 449.649 4.602 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCC(F)(F)F 1300591454 RAHRKMBWXLLTMO-UHFFFAOYSA-N 446.517 4.960 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCSC(F)(F)F 1300601302 FXBGFLMFRNGTLP-ZDUSSCGKSA-N 432.899 4.784 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H]2CCCN(c3ccccc3)C2)nnc1C(C)(C)C 1300896198 COKDJBYMOUVUMB-MZYLBHOOSA-N 437.632 4.662 30 10 IJEE C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](CC)C1 1301040453 FXYPSMLYKOAWDB-QGZVFWFLSA-N 438.016 4.772 30 10 IJEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1c(F)cccc1Cl 1301047140 BKJJWBHCOASLEQ-UHFFFAOYSA-N 445.329 4.698 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCOCC(F)F)CC1 1301096176 ZXICZNJJPMDEMW-UHFFFAOYSA-N 434.531 4.593 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCC2)CC1 1301096674 AIQBGNAHVZYYRH-PMACEKPBSA-N 427.593 4.863 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1cn2ccccc2n1 1301305307 WTTQHLZJYUUJOJ-UHFFFAOYSA-N 444.583 4.802 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H](C)c1nccs1)C1CC1 1301331861 XBKPHTPQLSRGHL-HNNXBMFYSA-N 429.977 4.926 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1Cc1nc(C)c(C)s1 1301340133 VSBULKMWQNUUBI-OAQYLSRUSA-N 448.596 4.706 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cn2nc(C)cc2C)n1CCCC(F)(F)F 1301365438 PEXBEANBIHIELY-UHFFFAOYSA-N 438.523 4.736 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(Br)c2)n1CC1CC1 1301406622 SXICXWDYIIIMNC-UHFFFAOYSA-N 427.346 4.946 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2Cl)n1Cc1snnc1C 1301406673 UNCSPQVSLGASFK-UHFFFAOYSA-N 440.960 4.635 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2C[C@@H](C)OC)C1 1301543587 MTTWJTMMQWDHSC-CABCVRRESA-N 432.977 4.629 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1nc(C(C)(C)C)cs1 1303628781 FQLYXZYFGRYNKN-INIZCTEOSA-N 433.585 4.552 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655990 NUYZLHJTXNUVNY-HNNXBMFYSA-N 439.383 4.958 30 10 IJEE Cc1cccc(Oc2ccc(NC(=O)CN3CCN(c4ccc(C#N)cc4F)CC3)cc2)c1 1307448952 FYHYNNYIEBWFRW-UHFFFAOYSA-N 444.510 4.559 30 10 IJEE CCN1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)C[C@H]1C 1307516243 FFGYNCJIUTZVGM-QYZOEREBSA-N 444.689 4.904 30 10 IJEE C=CC[C@@H](NC(=O)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1)c1ccncc1 1312018504 CFXLNFNDIGFOAS-NHCUHLMSSA-N 442.604 4.815 30 10 IJEE C=C[C@H](CC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccccc1 1354034371 ZBBJBQLVNLMIPR-LJQANCHMSA-N 426.582 4.938 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@H](C)C1 1358918589 ZXPNUHIDMZXTNO-PMACEKPBSA-N 429.609 4.780 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1358934768 MMHUJVJTIOFSNC-QRWLVFNGSA-N 449.382 4.581 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCCC1(F)F 1358996429 FCDJMLWNNHUAPC-FQEVSTJZSA-N 435.522 4.639 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC(C)(C)CC=C 1359020301 YELAQOVRAZHFCY-UHFFFAOYSA-N 426.630 4.964 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(OCC)CCCC1 1359108664 XSMPFEFFZXKADI-UHFFFAOYSA-N 436.398 4.787 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1Cc1cnc(C)s1 1359110358 KGLFVMFCFNQZPG-UHFFFAOYSA-N 432.391 4.923 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H]1CC 1359126937 DDEYTNQMAQIQLD-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359184794 AHJCSSYWKSHRNR-GCJKJVERSA-N 442.604 4.816 30 10 IJEE C=CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccccc1 1359196082 XCJJZLMJZMBGOU-XMMPIXPASA-N 449.643 4.675 30 10 IJEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1359206107 UQLUJFMBDHRHIV-RTBURBONSA-N 427.618 4.642 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1Cc1nc(C(F)(F)F)cs1 1359274049 YGKFIHLZBJDYBL-UHFFFAOYSA-N 425.505 4.632 30 10 IJEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1359347230 HCEQQPRDVIHYHT-BDTNDASRSA-N 442.629 4.571 30 10 IJEE CN(C)[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccccc1Cl 1440367933 DHDGEPIUEWTUCS-HSZRJFAPSA-N 433.939 4.823 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C(C)C)nn3-c3ccc(C)cc3)n[nH]2)c1C 1444389537 TXKFRGHLIOWTJL-UHFFFAOYSA-N 443.555 4.946 30 10 IJEE C#CCCN1CCC(NC(=O)[C@H](Oc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 1465397094 ZRIQMHKMFBOISO-JOCHJYFZSA-N 431.363 4.717 30 10 IJEE C#C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)c1ccc(Br)cc1 1468839758 POYTXEPKIOTQNC-VGOFRKELSA-N 440.385 4.648 30 10 IJEE C=CCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1475819907 AAUKYJDHTQDYJR-JOCHJYFZSA-N 427.570 4.690 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCC(C(=O)c4c(F)cc(F)cc4F)CC3)cc21 1477135992 PINRITPNKOVDCW-UHFFFAOYSA-N 442.441 4.766 30 10 IJEE C#CCOc1ccccc1CNC(=O)N1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C 1477916004 QTGFRYOAYRPNMP-SANMLTNESA-N 447.623 4.573 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCC[C@@H]2C)cc1OC 1502801227 AXAOCPAZGTUVME-RXVVDRJESA-N 437.588 4.919 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1Cc2cccc(Br)c2C1 1507560219 FOOXRVWORCCSLD-UHFFFAOYSA-N 436.357 4.735 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1507567071 KIMPOWZDGJGZDL-XMSQKQJNSA-N 438.572 4.839 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1507575872 ULHNYRAKBYFCHX-FXAWDEMLSA-N 430.980 4.736 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1507798879 XKYLSTSZMXXAJD-PIKOESSRSA-N 434.506 4.869 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1507921410 URMYRQOLDRYDOA-HYBUGGRVSA-N 445.007 4.569 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)Oc1ccc(F)cc1)C1CC1 1507989724 FJOPNCGSIBNGOI-HNNXBMFYSA-N 427.911 4.755 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1508004221 BFPUCFAZMIUYIX-KRWDZBQOSA-N 439.501 4.617 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCCC2(C)C)cc1 1511031204 FURQFXRTSDXSBU-FDDCHVKYSA-N 427.618 4.558 30 10 IJEE C#Cc1cccc(N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1 1530148737 ACZVUPOPRHVPOY-IBGZPJMESA-N 432.442 4.916 30 10 IJEE C#CCN(C(=O)c1cccc2scnc12)[C@H]1CCOc2ccc(Br)cc21 1531554188 URGNFLROQKEADX-INIZCTEOSA-N 427.323 4.658 30 10 IJEE C=CCCn1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)nn1 1533145213 YDKZBVGSEKCVIX-UHFFFAOYSA-N 427.386 4.789 30 10 IJEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC)ccc1Cl 1534151519 BRTBHHILURVVNF-HNNXBMFYSA-N 438.952 4.779 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](CC)Cc2cn(C)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1534485816 JBIWLDNXZDZWQN-IBVKSMDESA-N 439.600 4.961 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccc(Cl)cc1F 1535505588 YIJCIRBMYABNLD-JOCHJYFZSA-N 441.911 4.557 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C 1535744642 QSZXSDSWJFAEDF-VJBWXMMDSA-N 437.584 4.889 30 10 IJEE C=CC[C@]1(C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1536467580 ANTKODFIOIPCSU-NGOKVRLYSA-N 426.966 4.669 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1csc(CCc2ccccc2)n1 1538986962 PKJWPIREZSZEPH-QGZVFWFLSA-N 431.565 4.594 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1539076578 SKOIYJMHLHXUNZ-JOCHJYFZSA-N 446.599 4.871 30 10 IJEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1539123771 DVBVCWHBJIVUTR-LJQANCHMSA-N 441.000 4.884 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1Cc1ccnc(OC2CCCCC2)c1 1539372442 ZXKFSBYKPYSNMU-UHFFFAOYSA-N 443.595 4.792 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCc1sccc1C 1539392290 ODFGZURYAVJCHS-UHFFFAOYSA-N 445.567 4.655 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539623676 NOMQVMPCLYHQTH-FXRXJOCMSA-N 438.469 4.700 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539659598 CZDWKFAHZHJVSB-HXUWFJFHSA-N 425.577 4.747 30 10 IJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1539686491 YDRWRVYPFOCODR-PKOBYXMFSA-N 429.996 4.696 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2ccccc2C)CC1 1539836440 TYEOCVIOJMVXIW-UHFFFAOYSA-N 440.389 4.754 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1539909535 MVYMROBVQLYQKS-WOJBJXKFSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1C[C@@H](C)c1nccs1 1540137904 WQFKBRLJGWNMLK-GOSISDBHSA-N 448.571 4.856 30 10 IJEE C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCC[C@@H](O)C1 1540177576 RSPICZORSSBDSL-PKOBYXMFSA-N 433.021 4.953 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)s1 1540763985 DQXWISXFPXVUFQ-MRXNPFEDSA-N 426.966 4.578 30 10 IJEE C[C@@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)CCO1 1543634720 FURDAKUOGRZFOU-UXHICEINSA-N 437.588 4.560 30 10 IJEE C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1556702798 CMETWJNQNMAGJF-SSDOTTSWSA-N 428.201 4.646 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc2n1 1558512683 HXSAWVHQAJEBQK-INIZCTEOSA-N 429.307 4.521 30 10 IJEE CCCc1cc(O)nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)n1 1559324128 DAVLKLHVDIEGDU-UHFFFAOYSA-N 427.574 4.661 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cc(C)c(F)cc2F)cs1 1566143127 NCMGONQCHMTWHH-INIZCTEOSA-N 435.496 4.642 30 10 IJEE CC#CCN(C)C(=O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1569822912 RPOLAJHKGNQKSX-NRFANRHFSA-N 444.575 4.909 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3cc(Br)cc(C)c3C2)cc1OC 1583612351 WRUPRECQKVNXHX-SOFGYWHQSA-N 442.353 4.929 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 1585594196 TZGGEJURZKADBX-UHFFFAOYSA-N 425.337 4.534 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCC1CCOCC1 1587562616 RGBWNVLUPPDCEG-RTBURBONSA-N 445.007 4.963 30 10 IJEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 1587836713 DXDAPPNEGUURAI-MOPGFXCFSA-N 446.341 4.500 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCN(C(C)C)C1 1588265765 GUGLYXGQEMKDBA-PMACEKPBSA-N 444.023 4.651 30 10 IJEE C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@](C)(OC)CC1 1588985543 UQWVIXVKPLYTMI-ZJSXRUAMSA-N 426.630 4.582 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2CCCS2)CC1 1594436929 FLFCSHMNEXNHNM-IBGZPJMESA-N 428.602 4.554 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1594886079 WCXUWWBZRDNCDP-QGZVFWFLSA-N 445.995 4.868 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H](C)c1nccs1 1595094108 NNVAQSIOSYBABY-SFHVURJKSA-N 441.564 4.665 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccsc2)n1C[C@H]1CCC[C@H](O)C1 1595134275 YDLVAUSROFYCMJ-RXVVDRJESA-N 440.588 4.813 30 10 IJEE C=CCN(CC=C)c1nnc(CC(C)(C)C)n1C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 1595219541 WBOLTYWZDLKCHT-IBGZPJMESA-N 443.636 4.835 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1595871593 VBSMTBOCYUDHJP-IEBWSBKVSA-N 439.585 4.523 30 10 IJEE N#Cc1cc(NC(=O)C(F)(F)c2ccccc2Br)ccc1Br 1595885151 DELMDNHLYDZAMY-UHFFFAOYSA-N 430.046 4.814 30 10 IJEE C#CCN(C(=O)c1sc(-c2ccccc2)nc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1596142155 RMNSUGQYDVNUNT-UHFFFAOYSA-N 439.581 4.593 30 10 IJEE CC[C@H](C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCCS1 1613250751 ACVAMLQLUWOEMM-UWJYYQICSA-N 425.602 4.607 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 1617227053 IBELCZQTWXMGCZ-NBGIEHNGSA-N 433.508 4.936 30 10 IJEE N#Cc1ccncc1N1CCN(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 1622765597 DSUBZLGYRYORER-UHFFFAOYSA-N 433.899 4.753 30 10 IJEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 1624572728 GXZDNHVYSTZAAB-HSZRJFAPSA-N 432.911 4.550 30 10 IJEE C=CCOc1ccccc1CN(C(=O)CNC(=O)c1cccc(O)c1)c1ccc(C)c(C)c1 1633065950 FQSLMCLUAVEZQN-UHFFFAOYSA-N 444.531 4.537 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 1635729998 HCKFZGUCYJKCKX-SQNIBIBYSA-N 440.968 4.510 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21)C(=O)OC(C)(C)C 1636974866 RTEXOKOLOYYTSH-UKILVPOCSA-N 432.564 4.834 30 10 IJEE CCc1csc(CC2CCN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CC2)n1 1643619460 DFDWBYIZYAJQSN-UHFFFAOYSA-N 445.032 4.869 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@H](C(CC)CC)N(C)C 1649538369 CLCSAOKMNNXIOX-YADARESESA-N 432.616 4.626 30 10 IJEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](C)C1 1653690294 CABRGNFXYNINSJ-KGVIQGDOSA-N 445.485 4.803 30 10 IJEE C#CC[C@@H](COC)NC(=O)Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1 1661786265 YUUYMVSWZYREPC-INIZCTEOSA-N 437.487 4.790 30 10 IJEE COc1ccccc1[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1Cl 1662385114 BJTTYPUMSSBCCC-NRFANRHFSA-N 447.343 4.942 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2cc(Cl)ccc2OC2CCCC2)C1 1671024114 GHKAWQRAAMADJW-KBXCAEBGSA-N 448.951 4.542 30 10 IJEE C#C[C@H](NC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1)c1ccc(F)cc1 1674015344 WZMHKYPRYIAVRJ-NRFANRHFSA-N 434.490 4.619 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)c1 1674326823 OPAJCXZARGWQMC-SFHVURJKSA-N 429.495 4.549 30 10 IJEE N#Cc1ccc(NC(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1C(F)(F)F 1674939880 BSCWOFRUALVPPM-KRWDZBQOSA-N 437.425 4.713 30 10 IJEE C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1680302306 FJLLKTRVTGBJKR-HNNXBMFYSA-N 444.348 4.980 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 1681941498 ASKNBSNXOHBUFT-IRLDBZIGSA-N 441.616 4.995 30 10 IJEE C#CC[C@H](CCOC)NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 1683130499 KWBGLWVNTQOAEC-XMMPIXPASA-N 444.579 4.726 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(Br)cc1 1686919872 NPTHFEWYMLNQMO-XLIONFOSSA-N 437.341 4.855 30 10 IJEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1689919196 GBDPGHASYZFCJY-XMMPIXPASA-N 433.644 4.869 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](CC(C)C)N(C)C 1690203358 ZQOFZLZTSQIJQH-QFQXNSOFSA-N 446.599 4.569 30 10 IJEE C=C(Br)Cn1c(N2CCC(c3nc4ccccc4[nH]3)CC2)nnc1C(C)(C)C 1690234364 BTKWORBIHPIHLU-UHFFFAOYSA-N 443.393 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@@H](C)C1 1690250601 JIRPBBBFQJKONF-LFAGZIFBSA-N 438.616 4.680 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1690258332 CLYQQZBCPNRCGN-CJFMBICVSA-N 425.621 4.867 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cc(C(C)(C)C)no1 1690267287 ZCZNFFXRIJAIJY-FQEVSTJZSA-N 437.544 4.527 30 10 IJEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1690310166 WKJNRYISLKASCZ-CALCHBBNSA-N 429.515 4.747 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(C)(C)OC(C)(C)C1 1690424294 JXJLSFXQFZQVGP-UHFFFAOYSA-N 426.561 4.670 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)[C@@H]1C)c1ccccc1 1690445426 XNCXGAQZLLZORO-RBBKRZOGSA-N 431.584 4.628 30 10 IJEE C=CCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN2CCCC[C@H]2C1 1690491804 JJFVJKWUFIEWFY-QFIPXVFZSA-N 437.632 4.930 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@@H](C)[C@@H](C)C1 1690500232 OTWHYHPYJHMVCK-GASCZTMLSA-N 437.357 4.532 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)CC)n1CCN(C)C(=O)OC(C)(C)C 1690567987 WWFZVLCIZYAQAW-SFHVURJKSA-N 445.583 4.990 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)c1nc(C)cs1 1690607503 OAXZJBOSCCNEIY-YLJYHZDGSA-N 441.601 4.916 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC(C)C)c2)C1 1690697468 VYNXWZQPGJYLQR-HSZRJFAPSA-N 447.583 4.513 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOC2(CCCC2)C1 1690735524 AMHHNXXCWNLPEW-SFHVURJKSA-N 446.592 4.626 30 10 IJEE C[C@H]1C[C@@H](C)CN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)C1 1693662165 BGZBDSYNLIKJAJ-NJYVYQBISA-N 434.632 4.810 30 10 IJEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccsc1Br)C1CC1 1695534499 DGQKCGYYGMLJDN-UHFFFAOYSA-N 428.359 4.678 30 10 IJEE C#CCCCCn1c(-c2ccccc2F)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1705513353 IZJFQNYBGGLBEH-UHFFFAOYSA-N 437.466 4.999 30 10 IJEE C#CCCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccccc1F 1705521451 BVNUJKJYPKBNIU-DNVCBOLYSA-N 444.461 4.881 30 10 IJEE C#CCSCCn1c(-c2ccccc2Br)nnc1N(CC1CC1)C1CCC1 1705656766 IIZKVOAUROWWTI-UHFFFAOYSA-N 445.430 4.843 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1csc([C@@H](C)OC)n1 1705713217 XAVUTBUFPSORHQ-MRXNPFEDSA-N 427.574 4.568 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1705721553 INZPJOSUMBKVHR-IBGZPJMESA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1705763424 VHFISGKVNCZFEB-IPJJNNNSSA-N 426.536 4.695 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cc(C)cn2)CC1 1705784840 LCRWIAMENXGEOU-UHFFFAOYSA-N 448.615 4.762 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1705795857 SUTVAEXFAXNYGX-YPAWHYETSA-N 443.680 4.864 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(C)(COC)CC1)c1ccccc1 1705797217 RRULALPDQXPJLL-JOCHJYFZSA-N 431.584 4.953 30 10 IJEE C=CCCCn1c(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)nnc1C(C)(C)C 1705824156 IEQCRAOKFAJPML-HXUWFJFHSA-N 438.620 4.888 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](c1cccs1)N(C)C 1705833983 BEWNLEIUBHCAGO-VQIMIIECSA-N 429.565 4.544 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCO[C@H]1CCCC[C@@H]1C 1705867216 JUYGOPULYLMQOH-SESVDKBCSA-N 430.618 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nnc(C)s1 1705870631 LZXOLZAELWCQOP-CQSZACIVSA-N 426.615 4.518 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)Cc2ccc(OC)cc2)C1 1705919805 KZKSCUIKWVSIDV-PGRDOPGGSA-N 436.556 4.515 30 10 IJEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1705948126 IMHDUXRJZHLJSD-UHFFFAOYSA-N 439.673 4.561 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC(C)C 1722320227 TYQVVBGCFZBHPV-FQEVSTJZSA-N 431.625 4.678 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1722495924 INNQECPWBQIYEU-FKPGQJDZSA-N 446.542 4.662 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(CC)CCc1ccccc1 1722505894 KUMFHRVVLXSAPB-UPVQGACJSA-N 431.584 4.699 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(Cc1ccc(F)cc1F)C1CC1 1722508966 NBHFCVXHGYJBMG-FDDCHVKYSA-N 430.543 4.905 30 10 IJEE C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1722520094 SPSYREYLEVDBGX-AKIFATBCSA-N 437.632 4.917 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC2CC2)CC1 1722542817 ICDVUUDDZOFXCF-INIZCTEOSA-N 434.943 4.705 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722577772 QCJOXLRCGFQWGV-FUPPJEDESA-N 429.653 4.680 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1722584030 APZSDCIULRMKDU-KRWDZBQOSA-N 428.577 4.568 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@](C)(OC)CC1 1722587439 OOSMGDUEJIIBPQ-DEOSSOPVSA-N 426.561 4.672 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC=CO1 1740538314 FTHHMPZZWKAHIH-DZGCQCFKSA-N 435.753 4.512 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1Cc1cc(Br)cs1 1740560643 MUIUQUJJOWKNLI-MRXNPFEDSA-N 443.414 4.784 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1740580533 ARXTYPPFPYQTSG-UYAOXDASSA-N 445.007 4.963 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)c1cccs1 1740650566 FRVMJMGIEFSLSC-UHFFFAOYSA-N 439.588 4.996 30 10 IJEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1740719303 JURAEBDWXGREMJ-FIKGOQFSSA-N 430.568 4.528 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1740743676 BCMYBCJKUGCZKG-INIZCTEOSA-N 435.366 4.610 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCN(C(C)C)CC1 1740779996 AUVSDWNXFKKJMR-UHFFFAOYSA-N 435.572 4.614 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)s1 1740809129 CFYMZHOTBXIGRF-CYBMUJFWSA-N 431.787 4.733 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2Cc2nc(C(F)(F)F)cs2)CC1 1740822100 XYJWHNFVTBSCCX-UHFFFAOYSA-N 435.475 4.634 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(COC)CC1 1740883770 FDZQGLRUSBKDEM-UHFFFAOYSA-N 444.645 4.731 30 10 IJEE C=CCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(C)(C)C)C1 1740887569 ARKGHLMMKQRRPC-SFHVURJKSA-N 432.996 4.976 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CC[C@@](C)(CC)O1 1740893512 MNVFRNABSNMDKU-MGPUTAFESA-N 437.357 4.817 30 10 IJEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CCc1csc(C(C)(C)C)n1 1741517502 FTCGDAFQEKJNKV-GOSISDBHSA-N 444.649 4.545 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(OC(C)C)nc1 1743915300 CYCSWCWBJTVMIS-DENIHFKCSA-N 432.572 4.646 30 10 IJEE CO[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1)c1ccc(Cl)cc1 1748426962 BKDDLFRFHQFLGR-NFBKMPQASA-N 436.947 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1nccs1 1749147620 LJLGWWFXGBWWHY-UHFFFAOYSA-N 435.395 4.527 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1749203953 NJRRYPDOXVJREE-UXHICEINSA-N 430.980 4.871 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1749293518 PPEGJTUGOIGABQ-MJGOQNOKSA-N 431.378 4.679 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1749335329 OZHUXALRGLFZBS-NHCUHLMSSA-N 437.632 4.724 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2=CCCCC2)CC1 1749352759 VQSNFLILDVABCT-OYRHEFFESA-N 441.620 4.952 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1749762104 PCWVLRKBZRVEGD-IBGZPJMESA-N 428.602 4.983 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 1760155948 PMECILBLVSLLPA-QPPBQGQZSA-N 449.624 4.651 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1nc(C(C)(C)C)cs1 1760215686 KGHPYAYJAWWUKL-UHFFFAOYSA-N 438.000 4.864 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1760295277 BMBRTEGKMJIFNU-WNOPAQSVSA-N 425.646 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(F)(F)F 1760335259 VXYPQGFTVGSHPR-UHFFFAOYSA-N 434.466 4.585 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCCC[C@H]2C)CC1 1760390682 KWBMZESEQIODKR-OAQYLSRUSA-N 425.596 4.819 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760423040 PJKZIICMNTZXGI-ROUUACIJSA-N 441.645 4.545 30 10 IJEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(Cc1ccco1)C(C)C 1760425831 WJNMJZSOIPJBPA-UHFFFAOYSA-N 432.528 4.958 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OC2CCCC2)CC1 1760437051 PONXFJHJVGYDSL-UHFFFAOYSA-N 440.588 4.857 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCC1(OC)CCC1)C1CC1 1760472982 XPQJEBUYBNSDTD-UHFFFAOYSA-N 431.378 4.822 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C(C)C 1760485426 BYULNRFNFLYEPX-MIZPHKNDSA-N 430.618 4.790 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccc(Cl)cc1F 1760486127 DLGIZSPICJKMMH-UHFFFAOYSA-N 440.935 4.830 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC[C@H]1C 1760501149 IAAPUVDAYHPUDU-CTNGQTDRSA-N 438.547 4.509 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCCCN2CCC(C)CC2)C1 1760541167 WQIRNYOKXDHMSG-HSZRJFAPSA-N 437.632 4.547 30 10 IJEE Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2CCc2cccc(C)n2)c1 1761710438 DGGBBZWVIKGURU-HXUWFJFHSA-N 446.599 4.831 30 10 IJEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(C)CCCS2)cc1C 1761832026 FTDYUEVLXBJDOV-ZEQRLZLVSA-N 439.629 4.890 30 10 IJEE C=CCN1C(=O)/C(=C/c2ccccc2OCCC)SC1=Nc1ccc(C(=O)O)c(O)c1 1772760824 AYJQIYFYNUFIGC-KHSCPFDSSA-N 438.505 4.669 30 10 IJEE CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=Nc1ccc(C(=O)O)c(O)c1 1772761610 BAPYZQIJTDILHF-LEQOCETOSA-N 428.897 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCC2)[C@H]1c1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl 1862385708 VVHRZNAZCMJBFE-IBGZPJMESA-N 448.302 4.926 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccn2)c1 1862492933 DGVZAPGVFGGANO-XMMPIXPASA-N 442.515 4.876 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Cl)c2)cc1 1862689369 PAUZVNARXHFXFG-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE Cc1ccc(CN2C(=O)C(Nc3ccc(C#N)cc3)=C(c3c[nH]c4ccccc34)C2=O)cc1 1863492488 MHOQLCDEGNLEBX-UHFFFAOYSA-N 432.483 4.740 30 10 IJEE CCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCOc2ccccc2)C1=O 1863642226 CRMYNYADYVJIEV-UHFFFAOYSA-N 438.543 4.935 30 10 IJEE COCCc1nc(Nc2ccccc2C#N)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868262386 SUZNJOWDIVZFFP-UHFFFAOYSA-N 448.596 4.738 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@H](C)N(CCCOC)[C@H](C)C2)nc(-c2ccc(C)cc2)n1 1869164952 CLFBIGVKUACZKK-ZRZAMGCNSA-N 449.643 4.566 30 10 IJEE N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1NC(=O)c1ccc(C(F)(F)F)cc1 1870149075 KIHYMKJTRCISKN-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(OC)cc1 1870883028 YCXNPNAAVMWWPS-UHFFFAOYSA-N 440.927 4.766 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CNc1ccc(C)cc1 1871098377 ZGLVEIHTRKNKCU-UHFFFAOYSA-N 437.927 4.626 30 10 IJEE CN(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1[N+](=O)[O-] 1871363649 INRZALITKVEBNW-UUYOSTAYSA-N 448.406 4.635 30 10 IJEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1O/C(=C\c1ccncc1)C2=O 1871364115 HANAJCWRWLNIGE-ODLFYWEKSA-N 436.261 4.988 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1871749755 JFPTUJVCJJKAAQ-OAHLLOKOSA-N 441.380 4.896 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)c(C)c1 1872059573 MIGBACCTLIZBCO-JOCHJYFZSA-N 432.561 4.735 30 10 IJEE C=C(C)CN([C@H](CCC)C(=O)Nc1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1872134896 WNZNKTAVHWUEIV-OAQYLSRUSA-N 444.597 4.686 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)cc1C)[C@H](C)CC)S(=O)(=O)c1ccccc1 1872507884 NSPNKLPGCSRDGX-IIBYNOLFSA-N 434.989 4.879 30 10 IJEE N#Cc1cccc(NC2=C(c3cc(F)c(F)cc3F)C(=O)N(C3CCCCC3)C2=O)c1 1873236596 BJEFXDDATRTFLY-UHFFFAOYSA-N 425.410 4.500 30 10 IJEE C=CCn1c(C(=O)Nc2cc(C(C)C)cc(C(C)C)c2)cc2c(NC[C@@H](C)O)ncnc21 1873627762 LYKRORKHNKJFII-QGZVFWFLSA-N 435.572 4.909 30 10 IJEE CCSc1nnc(CCc2cccc3ccccc23)n1/N=C/c1ccc(C(=O)OC)cc1 1874231884 GXWQFEBIEWOBHI-YZSQISJMSA-N 444.560 4.997 30 10 IJEE CCCSc1nnc(COc2ccc(OCC)cc2)n1/N=C/c1cc(Cl)ccc1O 1874236461 KJBXNNXGLVYFSV-YDZHTSKRSA-N 446.960 4.999 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccncc2)cc1 1874349524 QEPABLRERMIXFZ-CVKSISIWSA-N 433.512 4.586 30 10 IJEE Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)n2/N=C/c2ccccc2)cc1 1874387604 VQMUXHUQZMIEIF-YZSQISJMSA-N 441.560 4.790 30 10 IJEE C=C(C)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(OC(=O)c2ccccc2)cc1 1874447117 SYFGDENKAMUUEQ-JAMLUQCHSA-N 448.548 4.899 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccccc2)nnc1C1CCCC1 1874451535 CUKXQZVKNNZXOL-BUVRLJJBSA-N 435.553 4.557 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(CC)cc1 1874476452 MAZSDZVGCHNURJ-MFKUBSTISA-N 439.560 4.935 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)cc1OC 1874593895 HDERCFWWSULDDM-XUDAUXSOSA-N 445.515 4.856 30 10 IJEE C[C@H](NC(=O)COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 1874597237 AXLOHDBOEXPMJY-KSEUIEODSA-N 429.472 4.568 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 1875084972 IZDMUVULBQYTKW-XYOKQWHBSA-N 447.443 4.656 30 10 IJEE CCCCc1ccc(C(=O)/C=C/c2cc(OCC)c(OC(=O)COC)c([N+](=O)[O-])c2)cc1 1875106290 LKLXTTQEDQFTRN-JLHYYAGUSA-N 441.480 4.784 30 10 IJEE N#Cc1ccc(NC(=O)N2CCC(c3ccc4cc(-c5cccnc5)cnc4n3)CC2)cc1 1890931238 IKFIOZZVYOYQRB-UHFFFAOYSA-N 434.503 4.975 30 10 IJEE C#CC[C@@H](C)CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892911399 FGOZDIBYSXPHDL-UZUQRXQVSA-N 437.561 4.761 30 10 IJEE Cc1cc(C#N)cc([C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951961938 LDDNWUATVZUYKS-AREMUKBSSA-N 426.472 4.705 30 10 IJEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1C#N 2010542412 DLXSJDSHOAJKJM-QRWLVFNGSA-N 443.931 4.649 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)C[C@@H]1C1CC1 2018418069 LYCIQMVTYIFGBP-IERDGZPVSA-N 434.541 4.606 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)Nc2ccc(Cl)cc2Br)C1 2062969587 RGULDRCFRHNGBC-UHFFFAOYSA-N 429.742 4.902 30 10 IJEE CC(=O)Oc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C=NO)c2Br)cc1 2080080544 WLMFTRYLOGDQRV-LJQANCHMSA-N 432.318 4.646 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C#N)C[C@@H]1CC(F)(F)F 2176103531 SSGBKGRPNVLUMN-AWEZNQCLSA-N 448.283 4.699 30 10 IJEE C[C@@H](CCC[C@@H](C)C(=O)Nc1ccc(Br)c(C#N)c1)NC(=O)OC(C)(C)C 2180916452 MNKGZSLLSQVDJA-KGLIPLIRSA-N 438.366 4.979 30 10 IJEE CCC[C@]1(C(=O)Nc2cc(Br)ccc2C#N)CCN(C(=O)OC(C)(C)C)C1 2181135327 PKNHULSEPZSWLA-FQEVSTJZSA-N 436.350 4.687 30 10 IJEE CC(C)(C#CC(=O)Nc1ccc(Br)c2ccccc12)NC(=O)OC(C)(C)C 2202910168 FDAKAQNMNHPZDO-UHFFFAOYSA-N 431.330 4.848 30 10 IJEE CC(C)(C)OC(=O)N1CCO[C@@](C#N)(Cc2c(Br)sc3ccccc23)C1 2224755146 OEPPATGIBCNMNS-LJQANCHMSA-N 437.359 4.736 30 10 IJEE Cc1sc(C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)CC2)c(Br)c1C 2237681404 ZQDKFKDDHVQYIM-UHFFFAOYSA-N 440.212 4.921 30 10 IJEE Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255370090 QNQREXHBXHFMQU-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CC1(C)OB(c2ccc(O)c(C(=O)N(Cc3ccccc3)C3CCCCC3)c2)OC1(C)C 2267813016 KHMZUIJBTOBWOK-UHFFFAOYSA-N 435.373 4.667 30 10 IJEE COc1ccc(Nc2c(Br)cccc2C#N)cc1I 2269700505 XFCAKAIVCVIHMZ-UHFFFAOYSA-N 429.055 4.678 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H](N)C#Cc2cccc(Br)c2)cs1 2278724275 AROLFEPWNBRUMJ-DOMZBBRYSA-N 436.375 4.543 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296221042 FDOFKNHTNPPBJN-OALUTQOASA-N 433.390 4.555 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296222006 OGVVSPLUSSOSBR-RTBURBONSA-N 433.390 4.568 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@H](N)C#Cc2cccc(Br)c2)CC1 2296267748 WSXQGDNWDRWNFY-HGHGUNKESA-N 439.369 4.551 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)C1(N(C)C(=O)OC(C)(C)C)CCCCC1 2296278212 BIHQLEVYVVNJSW-IBGZPJMESA-N 435.406 4.958 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@]2(N)C#Cc2cccc(Br)c2)C1 2296279318 NODPYLIBWGGMKI-FGZHOGPDSA-N 433.390 4.699 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 2296298042 GAWKKPZMZXGBHQ-OXQOHEQNSA-N 435.406 4.672 30 10 IJEE CCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(Br)cc1)C2=O 2321836260 RVMURPFRIROZHO-CYBMUJFWSA-N 431.282 4.704 30 10 IJEE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CN(CCc2ccccc2)CO1 2321936873 WERQBZWXBGDQOP-UHFFFAOYSA-N 428.444 4.606 30 10 IJEE COc1ccc(C=CC(=O)c2ccccc2OC)cc1OCC(=O)Nc1ccccc1F 2323101672 IUJQKPPNQGCJCA-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O2 2323149583 PKGZRPNDASTKLV-UHFFFAOYSA-N 446.371 4.647 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(OC)cc1OC 2323503635 QYERLPIYHXIOTD-JOCHJYFZSA-N 432.605 4.869 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(=Cc2ccc(N(C)C)cc2)C3=O)cc1 2323627149 NTTQOMQFWRNDDH-UHFFFAOYSA-N 443.455 4.513 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2cc(Br)c(OCCCO)c(OC)c2)cc1C 2324644291 PWYDMMATLVXPQB-UHFFFAOYSA-N 449.341 4.740 30 10 IJEE Cc1c(OCC(=O)NCc2ccccc2)ccc2c1OC(=Cc1ccc(Cl)cc1)C2=O 2324965393 RLRKIFRFRDDIDK-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE CCOc1ccc(NC(=O)COc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2325704804 AHORVGGOPCGBKI-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE CCc1nnc(SCc2ccccc2F)n1N=Cc1ccc(OC)c(Br)c1 2326266819 QZWARMVIHKGFQX-UHFFFAOYSA-N 449.349 4.925 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCC=C)n1N=Cc1cccc(OC)c1 2326467974 JLVQLMDTIWASBO-UHFFFAOYSA-N 436.537 4.591 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N=Cc1ccc(OCC)cc1 2326793797 JAKVGRGKXFWEDO-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccc(Cl)c1 2327853270 VFBGOAIINTVKFP-INIZCTEOSA-N 431.993 4.596 30 10 IJEE Oc1ccc(C=Nn2c(CCOc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 2329164186 DHYOWQRSTMBVDI-UHFFFAOYSA-N 448.523 4.919 30 10 IJEE Oc1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c(O)c1 2331224446 LMOBYTANACXAMX-UHFFFAOYSA-N 426.885 4.777 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCC2)n1N=Cc1ccc(N(C)C)cc1 2331500499 PXGCFGYBWWAQND-UHFFFAOYSA-N 448.596 4.533 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N=Cc1cccc(Cl)c1 2331637663 BDNFEERJWWWGIY-UHFFFAOYSA-N 427.961 4.805 30 10 IJEE CCCOc1ccc(C=Nn2c(SCC(=O)NC3CCCCC3)nnc2C(C)C)cc1 2331703731 WYVPBHJZCPVNEW-UHFFFAOYSA-N 443.617 4.614 30 10 IJEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582174 PIVLSTVLDVCCNZ-QHCPKHFHSA-N 433.405 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@@H]21 2360197611 QMYVDKJVJBHICX-UYZIEWPDSA-N 433.390 4.602 30 10 IJEE NCCCO[C@@H](C#Cc1cccs1)c1scc(Br)c1Br 2363631799 LZMDHYJPEBXGTK-LBPRGKRZSA-N 435.206 4.793 30 10 IJEE Cc1c(C#N)c(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)n(C2CCCCC2)c1C 9548893 HDJNOXGIBFSIDK-UHFFFAOYSA-N 444.583 4.738 30 10 IJEE Cc1cc(C)cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(SCC#N)nc3c2)c1 9775336 AHUGTZJPWPGHRB-UHFFFAOYSA-N 440.528 4.871 30 10 IJEE COc1ccc(Cl)cc1/N=C1\S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C 12462931 PWKHTSWLPRUZPA-JHGXHUTESA-N 431.945 4.556 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccncc1 33596051 IPNCHABNVORPIT-IBGZPJMESA-N 440.286 4.562 30 10 IJEE O=C(/C=C\c1ccccc1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(O)c1 35444986 RVWLVZKDMRKYRT-IHXXNJTDSA-N 425.484 4.613 30 10 IJEE C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1OC 39839087 XTICJZDTIJGVDQ-HSZRJFAPSA-N 443.455 4.705 30 10 IJEE COc1ccc(CCn2c(O)c(/N=N/c3ccc(F)cc3)c(C)c(C#N)c2=O)cc1OC 39870910 XZHHIGJGTXQPJW-CYYJNZCTSA-N 436.443 4.548 30 10 IJEE COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)c1 41654978 FKKBLCGPEUQRNO-CFRMEGHHSA-N 429.472 4.672 30 10 IJEE COc1cc(/C=N\N=C2\S/C(=C\c3ccccc3)C(=O)N2Cc2ccco2)ccc1O 47137408 ZZRWYGJIIRBPEL-TZOGYSKPSA-N 433.489 4.500 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1CNc1nc2ccccc2n1Cc1ccccc1C#N 95085760 CEYUZAHGFUPYTK-FQEVSTJZSA-N 431.540 4.768 30 10 IJEE COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2C)cc1Cl 100293045 HZNPMPCGUOOWKE-NKWDDMGQSA-N 431.945 4.556 30 10 IJEE C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 103229136 DSWLGRSFPCNQID-RKKARLDVSA-N 446.890 4.926 30 10 IJEE COc1ccccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(O)cc1 169962060 XJHAYRFTXUDRSH-HSZRJFAPSA-N 441.439 4.930 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2ccc(C)o2)cc1 170102206 CBMPMLLFYSANNE-QHCPKHFHSA-N 447.487 4.692 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)N(C)CCO3)[C@H]1c1cccs1 170161500 ZXMGSTAWRIBMPD-JOCHJYFZSA-N 446.528 4.668 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)cc1Cl 170162799 YVWHVSYWEYSXHW-IBGZPJMESA-N 440.908 4.584 30 10 IJEE CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccn2)cc1 170173211 ZNNKEAATJMWIOU-HSZRJFAPSA-N 428.488 4.899 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccccc4)[C@@H]3c3cccnc3)oc12 170188303 POJFEPGIPDKFAE-OAQYLSRUSA-N 426.428 4.619 30 10 IJEE Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(Cl)c3)[C@H]2c2cccnc2)s1 170189099 ORQHGLFUMIEUPE-KRWDZBQOSA-N 425.897 4.591 30 10 IJEE Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2cccc(OC(C)C)c2)[C@@H]1c1ccncc1 170206184 QDPYUFWQWGEFGO-QHCPKHFHSA-N 428.488 4.960 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2C2CCCC2)cc1 170214586 PAUPCJBKTHUQFV-QHCPKHFHSA-N 435.520 4.923 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2C)cc1C 170270675 BQOFKYCNAPMCQX-QHCPKHFHSA-N 437.536 4.624 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1C 170274693 ITAVDIDPAYYHIK-QHCPKHFHSA-N 442.515 4.794 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1 170280033 ADNVCDWCDDBUMT-QFIPXVFZSA-N 429.428 4.813 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccco2)cc1Cl 170296065 TXAKUNYUIXLWHX-HXUWFJFHSA-N 441.842 4.859 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(C)o2)c(OCC)c1 170310842 GXEPMXNANLYEQO-QFIPXVFZSA-N 439.508 4.906 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(C)o1 170311401 AWPQAWVWFGXQKI-NRFANRHFSA-N 439.414 4.653 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC)c(O)c1 170322518 NREMSASUDCWOJA-QFIPXVFZSA-N 435.476 4.916 30 10 IJEE CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(O)c2)cc1 170385143 UETZXTRZPIHKSJ-QFIPXVFZSA-N 432.476 4.614 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccc(OC(C)C)cc2)cc1 170428452 YCKPIMHEDMPXBE-HSZRJFAPSA-N 447.487 4.854 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(N(C)C)cc1 170444843 IDWZVDQOFMFKMJ-IBGZPJMESA-N 432.442 4.897 30 10 IJEE COC(=O)C[C@H](O)CC(=O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 199902701 BTBIITIDSIXJKU-DRUFCSCSSA-N 433.479 4.815 30 10 IJEE C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 473776943 PAKOUKGFJDSVKN-UHFFFAOYSA-N 440.487 4.631 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 500613768 WXHBMMCXKTXIOL-FGZHOGPDSA-N 447.986 4.790 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 503026958 ADAYLPMCWUXQKU-FQEVSTJZSA-N 437.468 4.612 30 10 IJEE C=CCn1c(N2CCC(OCc3ccccc3)CC2)nnc1C(F)(F)Oc1ccccc1 508920156 TZEACZCANFRCLV-UHFFFAOYSA-N 440.494 4.778 30 10 IJEE N#Cc1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(OCc3ccccc3)cc2)C1=O 526656503 TXIXBQRHCJJEGB-UHFFFAOYSA-N 429.863 4.573 30 10 IJEE Cn1cc(/C=N\n2cnnc2SCc2ccc(Br)cc2)c2ccccc21 526819588 JNNWZRVNTYOWAE-YVNNLAQVSA-N 426.343 4.707 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1OC 540066345 SBOCWSHPQXHWGI-RXVVDRJESA-N 432.358 4.890 30 10 IJEE CCOc1ccc([C@@H](O)C[C@@H]2SC(=Nc3ccc(Cl)cc3Cl)NC2=O)cc1 606656543 GZPQYGXGGYVYRO-IRXDYDNUSA-N 425.337 4.735 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 609932722 COLQEYMRMBLGON-UHFFFAOYSA-N 425.485 4.620 30 10 IJEE CC(C)(C)OC(=O)N(C1CC1)[C@@H](C#N)c1ncc(Br)cc1Br 698848950 CVPVWILSOUUAOC-LBPRGKRZSA-N 431.128 4.571 30 10 IJEE C=C(COC(C)C)[C@@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 705456869 PTJPBAAZXCPJMB-MDNUFGMLSA-N 434.621 4.834 30 10 IJEE C=CCC1([C@H](NCC)c2c(Br)cnn2C(C)C)CN(C(=O)OC(C)(C)C)C1 722921186 ULUFYYJHAAHSNP-QGZVFWFLSA-N 441.414 4.690 30 10 IJEE N#CCOc1ccc(Cl)cc1CSc1nc2ccccc2c(=O)n1Cc1cccnc1 735230180 FACVQIJMJNFVAI-UHFFFAOYSA-N 448.935 4.688 30 10 IJEE C/C(=C/C(=O)OCC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc([N+](=O)[O-])cc1 752355389 QWWSOBIHYGJAIE-UGEDRFTOSA-N 439.493 4.574 30 10 IJEE Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 759206727 HQDNLJWOWAJDPA-KRWDZBQOSA-N 437.908 4.923 30 10 IJEE N#CCCn1cc(C(=O)O[C@@H]2CCc3sc(Cl)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 766534807 DXOTZYOCLLDMJC-MRXNPFEDSA-N 442.884 4.931 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnc(Cl)c(Br)c1 767915290 ROJITSRJRYFJFV-UHFFFAOYSA-N 425.670 4.626 30 10 IJEE C/C(=C\C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc([N+](=O)[O-])cc1 783709278 MRHAMIBKDIIAPO-JLHYYAGUSA-N 437.506 4.652 30 10 IJEE C=CC[C@]1(C(=O)Nc2cnn(CC(C)C)c2C(F)F)CCCN1C(=O)OC(C)(C)C 790826532 LGUJDRUCRASRTO-OAQYLSRUSA-N 426.508 4.761 30 10 IJEE CC[C@@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)c1ccc(Cl)s1 806226881 FRWLOLJKCFMDNR-MRXNPFEDSA-N 443.981 4.885 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)c1ccc(F)cc1 812750961 GPJULKJLFHHMSC-KRWDZBQOSA-N 441.256 4.538 30 10 IJEE O=C(Nc1ccccc1F)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccccc2)S1 1084068486 MOPONKTXUYNHIB-OAQYLSRUSA-N 433.508 4.986 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 1124398242 GVIYYBJLNVKEFC-UHFFFAOYSA-N 441.018 4.615 30 10 IJEE C#CCOc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cc1 1125742657 TWAWLODTNXQQKQ-HOTGVXAUSA-N 432.442 4.583 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CCC2)c1 1127751307 ZCRQCBYZWHQVGL-INIZCTEOSA-N 432.973 4.640 30 10 IJEE C#C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1F 1129734747 BJSIOPJYZOYGLB-HSZRJFAPSA-N 444.897 4.890 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CC)Cc2nc3c(s2)C[C@@H](C)CC3)cc1OC 1135012342 LUUCKQMXOKTEST-GKUQOKNUSA-N 426.582 4.903 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CC)Cc2nc3c(s2)C[C@H](C)CC3)cc1OC 1135012344 LUUCKQMXOKTEST-QJWNTBNXSA-N 426.582 4.903 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CC(c3ccccc3)(C(C)C)C2)nnc1-c1ccco1 1162101113 YFPCJUWSGQVFEN-UHFFFAOYSA-N 436.581 4.643 30 10 IJEE CCN(CC)[C@@H](C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12)c1cccc(C(F)(F)F)c1 1164584384 BRGRFCURERGRLW-LJQANCHMSA-N 429.446 4.783 30 10 IJEE Cc1cc(CNc2ccc(Br)c(I)c2)ccc1C#N 1180344262 HZCHNYCTLJRPPX-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE COc1cc(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1 1196162295 HVBSUYGUNWVFKE-UHFFFAOYSA-N 432.545 4.840 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2ccccc2CN2CCc3cc(OC)c(OC)cc3C2)C1 1199253761 ZLULCXXWOAQDPB-FQEVSTJZSA-N 447.579 4.529 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(Br)c2ncccc12)C(C)C 1207704412 JKLUXQXPEICEHX-LJQANCHMSA-N 431.378 4.817 30 10 IJEE Cc1ccc(OCc2ccccc2)c(NC(=O)N2CCN(c3ccsc3C#N)CC2)c1 1216879003 GYLOOAOOLRYYKZ-UHFFFAOYSA-N 432.549 4.861 30 10 IJEE Cc1ccc(-n2ncc(NC(=O)Nc3ccc(Br)c(C#N)n3)c2C(C)C)cc1 1219696522 FBUCOYYKBMQQNL-UHFFFAOYSA-N 439.317 4.977 30 10 IJEE CCCc1ccc([C@H](NC(=O)N2CCN(c3snc(C)c3C#N)CC2)C(C)C)cc1 1221701813 FNSVHCAVMUGYFK-OAQYLSRUSA-N 425.602 4.505 30 10 IJEE C[C@H]1CSc2ccc(Cl)cc2N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1268941088 HGFNCGNATPBJTC-GDBMZVCRSA-N 429.948 4.952 30 10 IJEE C=C[C@@H](COC)NC(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1269900226 NYCYOQQGYDVTFZ-INIZCTEOSA-N 427.342 4.847 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CC[C@](C)(CC)O1 1286280605 ARHCXLKVXSCRSV-ZVOVDXHFSA-N 448.567 4.923 30 10 IJEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 1286345256 HCEPVHKJWVYVLB-HXUWFJFHSA-N 449.624 4.999 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C2CC2)ccc1F 1286434126 FWYGKSQIEYYECP-ISKFKSNPSA-N 448.586 4.724 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCCSCC(C)C 1286441273 LAEVVEFJEUSDBY-UHFFFAOYSA-N 435.435 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](CCC)C1 1286560885 JZBOEFPGOQXUKI-WFXMLNOXSA-N 430.980 4.585 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(OCCC)nc1 1286582535 DGCPSUKKBYQITL-IFMALSPDSA-N 441.620 4.831 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](COC)C1 1286632453 AJATUOMSMLQKES-GOSISDBHSA-N 432.996 4.770 30 10 IJEE C=C(Cl)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)Oc1ccccc1F 1286635428 RTJKYVPMSDOZJL-WBMJQRKESA-N 438.841 4.830 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2csc([C@H](C)OC)n2)CC1 1286648038 GQZQLCWOGYPLIH-IBGZPJMESA-N 437.613 4.822 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](c2cccc(F)c2)C1 1286665852 DOJPQLXWCKXWFM-IBGZPJMESA-N 441.595 4.932 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC2(CCC2)C[C@H]1CC 1286716554 PDMAFZUZOLDLGU-NJDAHSKKSA-N 430.637 4.948 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](C)N1CCCCC1)C1CC1 1286735766 MGBIVUSOGYRFRS-LJQANCHMSA-N 428.024 4.942 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccnc(N2CCCCC2)c1 1286756533 ZLSQDEWFXNSSRQ-UHFFFAOYSA-N 444.583 4.566 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H](C)N1CCC[C@H](C)C1 1286758892 DLAHZULZBKEDNE-SFTDATJTSA-N 432.616 4.649 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C 1293125523 QQBBFEZIUQJOPH-JOCHJYFZSA-N 449.526 4.846 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)c1 1293816674 QQQPIAHAMHSRHY-FQEVSTJZSA-N 434.989 4.712 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@H](COC)C1 1300383678 FALJXWKOBPLOFO-MOPGFXCFSA-N 430.980 4.574 30 10 IJEE C#CCCCn1c(CC2CC2)nnc1N1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 1300420008 YOGMMOPFYNJQCS-UHFFFAOYSA-N 435.572 4.554 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1nc(C(C)(C)C)cs1 1300430430 MLRUXRLEGXXDAA-MRXNPFEDSA-N 441.576 4.623 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1300601631 JLVQIQMWLNSRHO-ZYLNGJIFSA-N 441.595 4.527 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(C)CCCS2)CC1 1301096167 ZNGYSUOLVXONEG-QHCPKHFHSA-N 428.602 4.698 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1301109623 NALGAMMKBPTMQQ-RYQLBKOJSA-N 430.515 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nccs2)C1 1301143620 LPSLLNIBBLNZTF-MRXNPFEDSA-N 444.992 4.630 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1301208716 BILUNCIPRYYFIA-IBGZPJMESA-N 436.991 4.670 30 10 IJEE C=CCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C2CC2)C1 1301241019 LGYPPWDHUCUEDU-MRXNPFEDSA-N 449.368 4.676 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1Cc2ccccc2C1)C(C)C 1301366793 IJSPIKVXEKTEDX-BJKOFHAPSA-N 435.616 4.739 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1nccs1 1301403342 XYRJRAXBNIEMKA-CTNGQTDRSA-N 437.613 4.667 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)N2CCC(C)CC2)cc1 1304431459 GVEQGGAQFLBWES-LEWJYISDSA-N 440.661 4.738 30 10 IJEE Cc1ccc(C)c(-c2cc(NC(=O)CN(C[C@H](C)C#N)C3CC3)n(-c3ccccc3)n2)c1 1307642652 GTBJFCFTEJEASB-LJQANCHMSA-N 427.552 4.719 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 1308632111 WCEOHGAWDQEFAX-UHFFFAOYSA-N 432.549 4.896 30 10 IJEE CC(C)c1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)n(Cc2ccccc2)n1 1310945957 ICUGWCLIXFWKMQ-UHFFFAOYSA-N 442.567 4.671 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1ccc(F)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1312760832 LACAQDWBUVEBCN-HNNXBMFYSA-N 437.943 4.584 30 10 IJEE C=CCC1(C(=O)Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CCOCC1 1348171802 SBQWWLGAYNAKPQ-UHFFFAOYSA-N 444.871 4.779 30 10 IJEE C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H]2CCC[C@@H]21 1358922726 OUOVMKOFMACQNP-JXFKEZNVSA-N 443.389 4.899 30 10 IJEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1359166348 PGDBLSQPMVINIS-VXKWHMMOSA-N 439.623 4.923 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1359173347 DCZTVYOQHHVIFZ-AUMHUTNHSA-N 448.608 4.507 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(CC)(CC)OC)CC1 1359176387 WUGKUBANXLFHEW-UHFFFAOYSA-N 428.577 4.570 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C[C@H]1CCOC1)C1CC1 1359211721 MKUWZYPRRGIOBQ-OAHLLOKOSA-N 449.368 4.818 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1CCC[C@@H]1C)C1CC1 1359250771 UHUKQYUHUZQZFZ-ICSRJNTNSA-N 443.636 4.984 30 10 IJEE C=CCNC(=O)Cn1c(N(Cc2cccs2)C(C)C)nnc1C1(c2ccccc2)CCC1 1359305447 CXYQAYNZZLHQIT-UHFFFAOYSA-N 449.624 4.527 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 1434920713 NTZLWWPTRHIXQH-MRXNPFEDSA-N 427.426 4.899 30 10 IJEE N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c1 1435129606 APBPDERFHXDWJE-QHCPKHFHSA-N 429.495 4.675 30 10 IJEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[C@@H](C)CC(C)(C)C 1435904020 CNTYHTWPQOMVET-CQSZACIVSA-N 425.367 4.677 30 10 IJEE COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1451727713 CQFDRSHAYNZIPH-FQEVSTJZSA-N 438.524 4.752 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccsc2)nc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1459003793 ZKRIKCYXMYXHCB-QHCPKHFHSA-N 434.561 4.921 30 10 IJEE Cc1c(C#N)c(NC(=O)CN[C@H](Cc2ccccc2)C(C)C)n(-c2ccc(F)cc2)c1C 1460773568 BACSDVFEGVEGNF-XMMPIXPASA-N 432.543 4.900 30 10 IJEE O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F 1460863482 AXWLINHNQDYJGW-DOTOQJQBSA-N 434.355 4.605 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1 1463080621 ZNTKRKLHUISRCZ-OAQYLSRUSA-N 436.618 4.557 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1465337669 HYGKBBPKKIGLTF-QFBILLFUSA-N 445.560 4.518 30 10 IJEE C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCN1Cc1ccccc1 1466342610 HRURFNPKXATDTP-BEFAXECRSA-N 432.446 4.631 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1467227955 VFTXAJROWPTQDX-RBUKOAKNSA-N 440.943 4.629 30 10 IJEE C#CCN(C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCOc2ccc(Br)cc21 1468422760 BOWQPAURFMPJQR-OGNFBWPZSA-N 431.374 4.744 30 10 IJEE C=CCC[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1C)c1ccc(C(F)(F)F)cc1 1469492535 UTQCRFWNFLVMPA-LEWJYISDSA-N 445.485 4.904 30 10 IJEE C=CC(C)(C)CCNC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1470452352 IXSBRGWTQCPRRU-OAQYLSRUSA-N 443.385 4.568 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccc(F)cc1 1472930912 OCQULUTUFOQLHE-IBGZPJMESA-N 429.492 4.676 30 10 IJEE Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)c1 1473572532 AGYLMXBFAMZBQA-IBGZPJMESA-N 426.520 4.751 30 10 IJEE C#CCC1(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CCCCC1 1477579780 KBRZHWYHFYQFNN-HXUWFJFHSA-N 431.536 4.610 30 10 IJEE CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCC1)c1ccco1 1501814830 DTCGCGZBVYNBSA-JOCHJYFZSA-N 432.572 4.873 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCC1(F)F 1507519643 IWQQEMRREUHLAT-ZBFHGGJFSA-N 437.332 4.991 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C)(C)CC1 1507571971 STMOAGPCYGSLJC-IBGZPJMESA-N 429.609 4.780 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@H](C(F)F)C1 1507574017 LEDPCOSDTZCCKO-MSOLQXFVSA-N 432.515 4.712 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CCN(C2CC2)CC1 1507664449 RMQQPMXXQNUWBT-UHFFFAOYSA-N 443.639 4.580 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](CC(C)C)C1 1507753117 JQTDUQKJLZZURM-OAQYLSRUSA-N 426.630 4.713 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1cccs1 1507804710 MGFVNQZJQVBBJW-CVDCTZTESA-N 438.597 4.557 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCCC[C@@H]2C)CC1 1507880151 INVYNKCSRPJKOH-SFTDATJTSA-N 441.595 4.978 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCc2cnn(C)c2)CC1 1507896488 GNYISLFMVAFNOX-UHFFFAOYSA-N 428.943 4.506 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1507910290 MMFMJBYEBSDWSF-OAQYLSRUSA-N 444.583 4.830 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](OCC(C)C)C1)c1ccccc1 1507924623 QDBCRHBYCRWYIQ-DHIUTWEWSA-N 431.584 4.951 30 10 IJEE C=CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)C1CC1 1507988514 NNHCZUUHKSJSOX-WOJBJXKFSA-N 437.632 4.865 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1CC(C)(C)SC 1507998213 NLNBUFGMERBOCT-IBGZPJMESA-N 430.618 4.515 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1508000857 FJKRLKBRKXUQTD-FGZHOGPDSA-N 432.616 4.597 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCCC1(C)C 1508008477 ONKFVWJNKFNEST-SANMLTNESA-N 449.574 4.537 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(F)(F)F 1508009643 VHPKHRVCTAAHPG-UHFFFAOYSA-N 436.459 4.533 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2(COC)CCC2)C1 1508117279 MLHCABFZKNTNQA-JOCHJYFZSA-N 438.616 4.841 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2=CCCCC2)C1 1508126530 RQDFVAYEKCJLML-LJQANCHMSA-N 428.527 4.819 30 10 IJEE C=C(C)COCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1518482671 PQWPHSRLGACZRC-UHFFFAOYSA-N 444.510 4.608 30 10 IJEE CSc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H](C)CC#N)ccn1 1520051311 DVNIAZZOZPNTQD-CYBMUJFWSA-N 430.940 4.641 30 10 IJEE C=CCN(C(=O)/C(=C/c1ccccc1)C(F)(F)F)[C@H](Cc1ccccc1)C(=O)OCC 1522961741 YPGCZXZEGJLTAD-OYQOIYBLSA-N 431.454 4.821 30 10 IJEE C=CCOc1ccc(CN(C(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)C(C)(C)C)cc1 1523243646 AXQPWCDZSVFNCU-QFIPXVFZSA-N 434.580 4.994 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(Cl)cc1 1525038686 NLSCRCFSDTVCGU-RDPSFJRHSA-N 430.935 4.836 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cc(OC)c(OC)cc2Br)C(F)(F)F)cc1 1525704201 OSZGKPMFLRXZSM-QGZVFWFLSA-N 443.215 4.908 30 10 IJEE CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cc(C#N)ccc3C)c2)c1 1527316267 FNTRTLINZKOKFH-UHFFFAOYSA-N 427.460 4.548 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 1529909937 YAUWHBMIBPKZKL-QHCPKHFHSA-N 442.946 4.903 30 10 IJEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C1CCC(C)CC1 1539119628 LKZRWICJMSMYSX-KBWCOIMZSA-N 443.636 4.821 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 1539198323 VCHQDTCLWKFRBL-HNNXBMFYSA-N 432.314 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC1CC(F)(F)C1 1539538707 LYDKMXFJLXJMNL-UZUQRXQVSA-N 444.526 4.854 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1cccs1)N(C)C 1539651696 JFVMPZOSMUCWQP-FQEVSTJZSA-N 425.602 4.721 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCC[C@@H](C)C1 1539652315 PZNJJUMQDXEJNR-HXUWFJFHSA-N 432.616 4.936 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@](C)(O)CCC(C)C)CC1 1539835987 KSZWIJIXHPHRSK-QHCPKHFHSA-N 432.996 4.951 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCC[C@H]2OC)CC1 1539840400 SVDWYHUDFHHEBC-LEWJYISDSA-N 440.588 4.714 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccccc1 1539939503 HLEPORGBNQBTPJ-VQTJNVASSA-N 437.975 4.827 30 10 IJEE C=CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(c2ccnn2C)CC1 1539967020 CKRAGGGJKWTPII-UHFFFAOYSA-N 439.007 4.996 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OCC(C)C 1540092414 JUFIHLWXYGITEW-IFMALSPDSA-N 426.605 4.902 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C)CC1)C(C)C 1540152617 YFJPGAULPNXUBT-URXFXBBRSA-N 436.648 4.974 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1CCc1c(F)cccc1F 1540184935 IQDZFKCJXHYAKE-UHFFFAOYSA-N 435.478 4.689 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(C)(C)c2ccccn2)C1 1540883850 FXALUAJXHJYBCX-PKTZIBPZSA-N 445.611 4.974 30 10 IJEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCO[C@@H]2CCCC[C@H]2C)cc1C 1542449840 ACKAVBZKKGQAIG-KKLQWCBXSA-N 439.604 4.665 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2[C@@H](C)c3ccc(F)cc3C[C@H]2C)n(Cc2ccco2)c1C 1559658260 DQFCEDQFKSUJKC-QAPCUYQASA-N 434.515 4.703 30 10 IJEE C#CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 1559820723 NZFCWTGEWIYVBO-MSOLQXFVSA-N 438.593 4.512 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@H]3[C@@H]3CCCOC3)c2C#N)C1 1559939948 FFZWHWULDGVXJZ-OPYAIIAOSA-N 443.657 4.990 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)C2)cc1 1562262969 FMLBLHPNXPIFLK-HXUWFJFHSA-N 437.515 4.670 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2C)c1CC 1568509314 ZFIFTZBUOFQBDA-GOSISDBHSA-N 426.561 4.931 30 10 IJEE COc1ccc([C@@H](CO)CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)cc1 1570199334 CYCOTPVTFFKECC-LJQANCHMSA-N 436.895 4.518 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1589395743 ZIIIDLLKQFAUPN-VQIMIIECSA-N 449.393 4.591 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(CCOC)CC(C)C 1589514208 DUMHDZSRHWSDRG-GHTZIAJQSA-N 432.996 4.689 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(F)F 1589530174 SHMCOCXUTHQYPX-DYESRHJHSA-N 443.498 4.673 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1c(C)noc1C 1589557846 JJQIONDTRQGCON-DHLKQENFSA-N 449.599 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1589642093 UXQDEUAJISLGLI-XMMPIXPASA-N 432.616 4.916 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CCSC1 1593696197 LDMFECNSWLNKRZ-UXHICEINSA-N 430.618 4.569 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1593915209 WEVJRMPOHCYAOA-HSZRJFAPSA-N 432.996 4.868 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2cccnc2)CC1 1594070928 RYYGPJJJRUOTKV-UHFFFAOYSA-N 442.336 4.641 30 10 IJEE C=CC[C@H](Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@](C)(C#N)C1)c1ccccc1 1594536320 WGHDEBAKEMHDMD-QFQXNSOFSA-N 448.615 4.686 30 10 IJEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1594704074 RJVHGSQRSNEDRK-RBUKOAKNSA-N 428.602 4.793 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1oc(CC)nc1C 1594907802 ZASKGLIEGIPSLN-UHFFFAOYSA-N 430.350 4.545 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCN(CCC)C1 1594998198 ZKOKZGQLRCIXPP-HXUWFJFHSA-N 425.621 4.509 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)C)n1Cc1sc(C)nc1C 1595084994 NNYQGLVCODJWCP-UHFFFAOYSA-N 425.602 4.799 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCN1CC 1595190841 JLHZKQUHWJGIBR-LJQANCHMSA-N 429.996 4.660 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCCC)C1 1595689231 SPNWVDOHHHEWOR-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C1 1611768826 DRNXMINMRBAAHI-DJPFJPOOSA-N 432.494 4.688 30 10 IJEE COc1ccc(/N=C2/S[CH][C@@H](c3ccc(Cl)cc3)N2CCN2CCOCC2)cc1 1615908441 IDKJJMZHJSBAMP-WZFMIUBLSA-N 430.981 4.620 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)cc1 1622886980 ZZYGMFMAZVCPLZ-NRFANRHFSA-N 447.988 4.906 30 10 IJEE C[C@@H](C[C@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1)NC(=O)OC(C)(C)C 1627424333 BRCQXAKJEZMIGX-ROUUACIJSA-N 437.540 4.559 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccccc3NC(=O)c3cccs3)n[nH]2)c1C 1627733262 VPWDECOZEXIMQZ-UHFFFAOYSA-N 446.536 4.642 30 10 IJEE CC(C)(C)c1cc(CCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(C(C)(C)C)c1O 1628796608 IEFJWXIUDZIQMA-FQEVSTJZSA-N 449.595 4.866 30 10 IJEE CC(C)[C@@H](C(=O)NCC1(C#N)CCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1630197878 CMIDINFSKMAAHM-DEOSSOPVSA-N 445.563 4.702 30 10 IJEE C=CC1(CC(=O)N[C@H](CCc2ccccc2)c2ccccn2)CN(C(=O)OC(C)(C)C)C1 1632200582 FQPDBGQTVVHVGT-JOCHJYFZSA-N 435.568 4.685 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCc2cc(OC)c(OC)cc21 1636779879 VLPCEZJYWZNOIW-UXHICEINSA-N 446.588 4.837 30 10 IJEE C=CCn1c(SCc2ncc(Br)cc2F)nc2sc(C)c(C)c2c1=O 1651629402 NGLYWIZHONJWSO-UHFFFAOYSA-N 440.363 4.850 30 10 IJEE C#CCN(Cc1nc(C(F)(F)F)cs1)[C@H]1CCOc2ccc(Br)cc21 1653391785 OTHBIRZSUBLLGS-ZDUSSCGKSA-N 431.277 4.883 30 10 IJEE FC(F)(F)Oc1ccccc1C1(F)CCN(Cc2nnc(C(F)(F)F)s2)CC1 1653431840 FCKHNLUCCQYWPS-UHFFFAOYSA-N 429.361 4.916 30 10 IJEE N#Cc1ccc(CN(Cc2cc([N+](=O)[O-])ccc2Cl)c2ccc3nc(O)[nH]c3c2)cc1 1653643129 NUXGNUOWWSWPIP-UHFFFAOYSA-N 433.855 4.909 30 10 IJEE 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C=CCOc1ccc(CNC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C)cc1 1682441934 GLXYIMCWKMLXKR-LJQANCHMSA-N 443.588 4.573 30 10 IJEE C#C[C@@H](NC(=O)N[C@H]1c2ccccc2CC12CCOCC2)c1ccc(Br)cc1 1686645448 JQGCVSXZEOQPAD-RTWAWAEBSA-N 439.353 4.517 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 1690174404 CFJSRQWRZZCWRN-OAQYLSRUSA-N 444.620 4.558 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)c1nccs1 1690212438 LTKQGEAPIJTEHZ-YADARESESA-N 435.597 4.726 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1690229736 DYYSRJSJAFURFG-PKOBYXMFSA-N 445.405 4.803 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCOc1ccccc1F 1690250627 JSPBKIASXOPFOC-GBXCKJPGSA-N 442.579 4.646 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCCCCC1=O 1690261735 XXWZWPJISJDMJZ-UHFFFAOYSA-N 448.615 4.632 30 10 IJEE C=C(C)Cn1c(Cc2cccnc2)nnc1N(C)CCCc1cc(-c2ccc(F)cc2)no1 1690290551 OBRJRUCNLMKUIM-UHFFFAOYSA-N 446.530 4.703 30 10 IJEE C=CCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)CCc1cnccn1 1690472520 PATYPENPKWRGRR-UHFFFAOYSA-N 445.596 4.812 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccc(F)cc1 1690578100 QRPSNEIFZPRJAZ-HSZRJFAPSA-N 426.561 4.847 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690649787 UORPYRBMTISKLD-QFBILLFUSA-N 438.494 4.631 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690735934 NCJFIPUQHUBQFQ-VXKWHMMOSA-N 440.657 4.871 30 10 IJEE CCc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCN(C(C)C)C2)cc1 1694493990 FEYOEGLSQKIINV-QHCPKHFHSA-N 434.632 4.758 30 10 IJEE CCN(CC)[C@@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N 1695607131 IADPAPXQDPPNSC-ROUUACIJSA-N 428.650 4.744 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCO[C@H]1CCCC[C@@H]1C 1705558216 NNFYUBGRTSBLES-PXNSSMCTSA-N 433.021 4.889 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC[C@@H](OCC)C(C)C 1705606160 MTSHPOITSSSRHQ-LJQANCHMSA-N 433.394 4.618 30 10 IJEE 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C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1740769648 PQFDMMQAEIOHFM-PMACEKPBSA-N 440.592 4.624 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740803617 LAXAXXHNMHQKFM-KSSFIOAISA-N 444.004 4.991 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccccc1 1740856273 ZRPIIEDMXSWEEJ-QFIPXVFZSA-N 447.583 4.654 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1CC1(CCOC)CC1)C1CC1 1740906490 PFDPJCNOBPHMOB-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C2CC2)c1 1740942413 OMOHEDXAOQYYNB-DHIUTWEWSA-N 438.616 4.761 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCCCC2)C1 1740970179 GKGRXOWANFHPMD-JOCHJYFZSA-N 437.588 4.509 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCCCC2)C1 1740972659 KXBKLVMPTINZIF-AZUAARDMSA-N 428.552 4.919 30 10 IJEE CC(C)N(CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@](C)(C#N)C1)C(C)C 1741617629 FJRFYBMEJHTSDF-HSZRJFAPSA-N 447.002 4.986 30 10 IJEE 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C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@H](C)C1 1749537741 MWZZNYZCKLYYAV-TZIWHRDSSA-N 449.624 4.898 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](OC)C(C)C 1749540767 BEUOXEJRGPFHOI-HXUWFJFHSA-N 443.954 4.996 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](CC)N1CCCC1 1749564694 XWTQGFLHSQPIFW-FQEVSTJZSA-N 444.421 4.760 30 10 IJEE C=CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1ncc(Cl)n1C 1749606227 RACXLRQCBWAJIC-HNNXBMFYSA-N 449.386 4.898 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1749758796 YTDQPESIIGTUQN-UHFFFAOYSA-N 431.968 4.612 30 10 IJEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(C)(C)c1cccs1 1750645120 IBWJUHSBHBXRBZ-UHFFFAOYSA-N 434.613 4.639 30 10 IJEE CC(C)CN1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)C[C@H](C)C#N)C1 1750830275 BGCPEOOUTAZIGC-MOPGFXCFSA-N 429.012 4.562 30 10 IJEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1760156840 VJVYQWLQXSXAHL-TZIWHRDSSA-N 443.636 4.554 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCCC1(F)F 1760167914 HSAXRUWUVLIBKU-SFHVURJKSA-N 432.515 4.636 30 10 IJEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)Cc1cccs1 1760231792 GXZIXXIXFAECJB-IBGZPJMESA-N 430.581 4.531 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1CCCCO1 1760288907 LEJXOFUIYOLRQH-FZOAFFARSA-N 440.563 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1760321031 AUKKMMWGAIAPPT-JLMWRMLUSA-N 445.007 4.507 30 10 IJEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 1760360024 OKXDPUOFMUAODB-UHFFFAOYSA-N 435.572 4.504 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1760408087 BKDYYPMEUXOIRR-DLBZAZTESA-N 430.618 4.895 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@@H]1C 1760425692 UAQJJIZQIUGYSF-SLFFLAALSA-N 431.625 4.984 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C)C1 1760427757 ICXSLMPHTRZHFU-SFHVURJKSA-N 449.665 4.691 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)ccc2Br)n1C[C@H](OC)C(C)C)C1CC1 1760469934 RWCJGUCRQRBFMF-IBGZPJMESA-N 449.393 4.542 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)CC 1760486901 CYSRJSSUHBGOFX-QFIPXVFZSA-N 432.540 4.562 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1760497826 TVODENKXFMOWPS-FQEVSTJZSA-N 435.538 4.521 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@@H](C)C1 1760501620 WYMAJWJKVORENC-IEBWSBKVSA-N 425.602 4.898 30 10 IJEE CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C(C)C)C1)C(C)C 1765782082 IFZOSTPVMAGTDN-FGZHOGPDSA-N 441.645 4.846 30 10 IJEE C=CCN(CC=C)C(=O)c1ccnc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 1860539138 SUVNFHVFEAATKY-UHFFFAOYSA-N 427.504 4.727 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccn(CC(C)C)c1=O)[C@@H](C)CC 1861288462 CGTQIJNCVBUBGZ-JTHBVZDNSA-N 447.664 4.906 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1Cl 1862431368 FZRAOGOBEHHUIQ-JOCHJYFZSA-N 449.890 4.572 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OCC)c(OC)c1 1862452464 CNJXGLKZZUNRFG-FQEVSTJZSA-N 427.884 4.512 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccncc2)c1 1862456442 RTODXVQBMBEKKI-NRFANRHFSA-N 438.405 4.586 30 10 IJEE COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccc(C)cc2)cc1 1862589547 NHUVSYGIEWTPNL-XMMPIXPASA-N 443.499 4.530 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCOC(C)C)c1 1862681538 CFDXHCAKMOCROU-JOCHJYFZSA-N 441.499 4.618 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc2c(c1)CCCN2C 1862707782 DPGULHXXWHLRFD-DEOSSOPVSA-N 448.563 4.846 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)c(O)c1)c1ccc2ccccc2c1 1862712580 USAQSJINCKNYNT-HSZRJFAPSA-N 441.439 4.623 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@H]1c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 1862736301 XJTXLABJIRMCHA-QFIPXVFZSA-N 448.475 4.769 30 10 IJEE CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867868149 UGHHZWSJJUIIBQ-FGZHOGPDSA-N 437.609 4.525 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(C)C 1868717721 GULRLLPEXAUOFZ-ILBGXUMGSA-N 440.534 4.828 30 10 IJEE N#Cc1nnn(-c2ccc(Oc3ccccc3)cc2)c1NC(=O)CCC(=O)c1cccs1 1870148143 XJOFSBYWWQHFSS-UHFFFAOYSA-N 443.488 4.594 30 10 IJEE CC1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2Cc2ccccc2F)CC1 1870350807 XGXLURPDYYGPFM-UHFFFAOYSA-N 445.538 4.718 30 10 IJEE Cc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(CCCCN2CCCC2)C3)C1=O 1871354868 FKZMJIQCBGXCPV-JLPGSUDCSA-N 432.564 4.948 30 10 IJEE CCOc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)NC3CCCCC3)c2C)C1=O 1871438366 WLQYFFSKEQSPMS-HAHDFKILSA-N 435.520 4.838 30 10 IJEE CCOC(=O)c1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)o1 1871439183 MHZIPJPTGBCPLQ-XKZIYDEJSA-N 434.444 4.969 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872070378 TVYHOJBZXRIGNL-NRFANRHFSA-N 432.561 4.653 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc(OCCCCCC)cc1)S(=O)(=O)C1CC1 1872164410 BRNZWJWUXJSUAN-JOCHJYFZSA-N 436.618 4.733 30 10 IJEE CCCCCCCCNC(=O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)[C@@H](C)CC 1872605283 RBZUTDBENSPVBI-OXJNMPFZSA-N 447.041 4.518 30 10 IJEE Cc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)c(C)s3)=C2N)cc1Br 1872724907 XTAIHEOZGQKTKC-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc2nc(SCCCOc3ccc(OC)cc3)[nH]c2c1 1872816862 XDRYQVUOGXYONR-UHFFFAOYSA-N 437.565 4.947 30 10 IJEE C=CCn1c(C(=O)Nc2ccccc2CC)cc2c(NCCCN(CC)CC)ncnc21 1873626270 QUEWBIBOJKTEJC-UHFFFAOYSA-N 434.588 4.576 30 10 IJEE CCSc1nnc(COc2c(C)ccc(C)c2C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874254433 BLXOHWXSCZZGTB-WSDLNYQXSA-N 425.514 4.685 30 10 IJEE Cc1ccccc1/C=N/n1c(SCCc2ccccc2)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874336320 DWEOXUAZCMNESG-SYOQMXFQSA-N 447.608 4.528 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(COCc3ccccc3)n2/N=C/c2ccco2)cc1 1874354067 PNHCAHVZJKUSLY-YDZHTSKRSA-N 449.492 4.671 30 10 IJEE Cc1ccc(Cc2nnc(SCc3cccc(F)c3)n2/N=C/c2ccc(O)cc2O)cc1 1874387776 DXEOCDUGLLDPBP-VULFUBBASA-N 448.523 4.902 30 10 IJEE CCCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874510644 SQBPDWWCUSJMNS-ZVBGSRNCSA-N 429.373 4.711 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(SCCCO)nnc2C(C)C)cc1OCC 1874515773 PFVAWXIQCKSZDY-XQNSMLJCSA-N 434.606 4.726 30 10 IJEE CCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874527427 OEGSALYKKZTUFY-FSJBWODESA-N 446.960 4.694 30 10 IJEE COCCc1nnc(S)n1/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1874559942 YOVWZUUCDCHOCN-SSDVNMTOSA-N 437.352 4.524 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2[C@@H]2CCCO2)ccc1OCc1ccccc1C 1874560233 NGVVOTYASOZEJA-PGLVWIQMSA-N 438.553 4.587 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccccc1 1874575393 LBPKAZJNHXGMSU-NTCAYCPXSA-N 432.432 4.517 30 10 IJEE COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1OCC(=O)NCc1ccccc1 1874578983 QNWYORGFSLGQBC-FYWRMAATSA-N 429.516 4.903 30 10 IJEE COC(=O)COc1c(OC)ccc(/C=C/C(=O)c2ccc(Cl)cc2)c1Br 1874595311 DYYVUJWXHYGFIP-WEVVVXLNSA-N 439.689 4.559 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2Cl)cc(OC)c1OC(=O)c1cnc(C)cn1 1875111288 CJBJVCZFKRROFR-CMDGGOBGSA-N 438.867 4.571 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(NCCc3ccc(F)cc3)ncnc2n1CCCC 1875212760 BVXHDOTWSBYQRA-UHFFFAOYSA-N 435.547 4.839 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H](C#N)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 1886450416 WWWSWDJIAQYOOZ-RTBURBONSA-N 429.561 4.961 30 10 IJEE CC(C)N1C(=O)CS[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@H]1c1ccc(C#N)cc1 1890994740 HYWKFRRZMQFPTM-WOJBJXKFSA-N 448.375 4.897 30 10 IJEE N#Cc1cccc([C@H](CCCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)n1 1952312288 PKDADKZMQYTJPA-DEOSSOPVSA-N 441.487 4.788 30 10 IJEE CC[C@@](C)(C#N)C(=O)Nc1cc(Br)c(Br)c(Br)c1 1963156031 XHUISEVZHXHQKW-LBPRGKRZSA-N 438.945 4.852 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1c(Br)cccc1Br 1976223125 PGKAFRZSHLOOSQ-UKRRQHHQSA-N 447.167 4.552 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 1992380509 ALMPRPVZZVRDKP-ZIAGYGMSSA-N 435.487 4.714 30 10 IJEE N#Cc1c(F)cc(Br)cc1NC1CCN(C(=O)OCc2ccccc2)CC1 1999972861 VXZCLHGBGMIZAY-UHFFFAOYSA-N 432.293 4.673 30 10 IJEE c1ccc(CN(CCCN=C2N[C@@H](CC3CCOCC3)CS2)Cc2ccccc2)cc1 2019164892 VVYGMGVDVVELTP-VWLOTQADSA-N 437.653 4.957 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2occc2B2OC(C)(C)C(C)(C)O2)c1 2039817228 VGIXRSBZTDMRIR-UHFFFAOYSA-N 432.301 4.677 30 10 IJEE CCOc1ccc([C@@H](C)n2nc(C3CCC3)c(C=NO)c2I)cc1 2080106081 SYUHFOVYETVBNW-GFCCVEGCSA-N 439.297 4.571 30 10 IJEE C[C@@H]1C[C@@H](CNc2cc(Br)cc(F)c2C#N)CCN1C(=O)OC(C)(C)C 2115833130 QSKQPXJPOHZCAP-OLZOCXBDSA-N 426.330 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3cc(Br)cnc3C#N)CCC[C@@H]12 2167618389 QXDSLQBAMRQKNJ-YLJYHZDGSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)NC1CC2(CCCCN2Cc2ccc(Br)cc2C#N)C1 2174567677 IARVFHSQRNAXIB-UHFFFAOYSA-N 434.378 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2ccc(Br)cc2C#N)CC1 2174809784 DOOALIVWXBMTDD-LJQANCHMSA-N 434.378 4.937 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CC1(C)C 2180992613 CAHHMRXABMBXAZ-ZDUSSCGKSA-N 436.350 4.685 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1cc(Br)ccc1C#N 2181054531 YIAWOSALYBOTQN-MRXNPFEDSA-N 438.366 4.931 30 10 IJEE CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](N)C#Cc1ccccc1Br 2209250555 TUDHSNQINWHKBP-IBGZPJMESA-N 429.358 4.565 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@@]2(C#N)CN(C(=O)OC(C)(C)C)CC23CC3)cc1 2220824263 AFJSAAFPOAUTGP-DEOSSOPVSA-N 443.544 4.730 30 10 IJEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](NCC)c2cc(Br)nn2CCC)C1 2232473218 CBPOSKZACGUTCX-KRWDZBQOSA-N 441.414 4.567 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2235730381 OLLZBEFXNCKKTE-UGKGYDQZSA-N 435.406 4.816 30 10 IJEE COc1ccc([C@@H](O)C#Cc2ccccc2Br)c(NC(=O)OC(C)(C)C)c1 2235739408 HXWDTERVPNAXDH-IBGZPJMESA-N 432.314 4.890 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2235746483 JPZIVIQRZMBLEH-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1 2256922176 DGUNZMKIZKGCTH-UHFFFAOYSA-N 430.285 4.659 30 10 IJEE CC(C)(C)OC(=O)NCCCc1ccccc1NC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267093462 UTLMUNPIUTYPKT-ZWKOTPCHSA-N 444.381 4.565 30 10 IJEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1c(F)cccc1Br)NCC 2274019761 FBCZVRRBSGDSLF-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(c3cc(Br)c(C#N)cc3F)[C@H]2C1 2290264018 NQTYCYFUAGGNNV-ACJLOTCBSA-N 438.341 4.686 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2cccc(Br)c2)C2(CCCC2)C1 2296217738 XSKVTAQYZIQAJB-MOPGFXCFSA-N 434.374 4.589 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H]1C[C@H](CC)CN1C(=O)OC(C)(C)C 2296274990 XAECIBVUEPYRFL-PWIZWCRZSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(C1CCCCC1)[C@H](N)C#Cc1ccc(Br)cc1 2296310852 OSKKRIDQZOJRMI-DENIHFKCSA-N 435.406 4.992 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2OCCOc2cccc(OC)c2)SC1=S 2297306580 LTSAMZBHZNLAHV-UHFFFAOYSA-N 427.547 4.540 30 10 IJEE CCCN[C@@H](C#Cc1ccnn1C1CC1)CCN(Cc1ccccc1)C(=O)OC(C)(C)C 2319379741 ZGDLKEXRFRJLBQ-QFIPXVFZSA-N 436.600 4.765 30 10 IJEE COc1ccc(Cc2nnc(S)n2N=Cc2ccccc2OCc2ccccc2C)cc1 2322016423 FZIOCDCSGCWDSC-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE Cc1cc(OC(=O)c2cccnc2)cc2c1C(=O)C(=Cc1cccc(Br)c1)O2 2322807687 ZGRBZAVSMCXOAA-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cccc(OCC(=O)OCC(C)C)c2)c(OCC)c1 2323286127 RHVZZWQNOHDAFT-UHFFFAOYSA-N 426.509 4.958 30 10 IJEE Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2324412402 QLPYNAOTTDPXTA-MRXNPFEDSA-N 443.455 4.746 30 10 IJEE COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)OC(=Cc2ccccc2OC)C3=O)cc1 2324451239 QRBHVEAQRJJTSG-INIZCTEOSA-N 445.471 4.726 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)NCc4ccccc4Cl)cc(C)c3C2=O)o1 2325648468 IBVYYFQACADMDX-UHFFFAOYSA-N 437.879 4.861 30 10 IJEE Cc1ccc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)cc1[N+](=O)[O-] 2325747661 CGHTULZNYOJIJS-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE COc1cc(Br)cc(C=Nn2c(C)nnc2SCc2ccccc2)c1OC 2326211400 KTEQPKVDPCNUQF-UHFFFAOYSA-N 447.358 4.541 30 10 IJEE CCCSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1cn(C)c2ccccc12 2328580561 PXAVETGHXSRIRT-UHFFFAOYSA-N 433.581 4.948 30 10 IJEE Cc1ccccc1CSc1nnc(CCOc2ccccc2)n1N=Cc1cccnc1 2329159054 BDMPGVJIFULZLP-UHFFFAOYSA-N 429.549 4.778 30 10 IJEE COC(=O)CSc1nnc([C@@H](C)c2ccccc2)n1N=Cc1ccc(C(C)(C)C)cc1 2330119272 DHYAYHAYXUEMDD-KRWDZBQOSA-N 436.581 4.875 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C(F)(F)F)n2N=Cc2ccc(C)cc2)o1 2331131699 QLSRRAKEJCTAQQ-UHFFFAOYSA-N 438.431 4.550 30 10 IJEE Cc1ccccc1CSc1nnc(-c2ccco2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331174246 WWASOOSUTVSMKT-UHFFFAOYSA-N 435.465 4.635 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2nnc(CC(C)C)n2N=Cc2ccc(F)cc2)c1 2331424948 ORKQKSLBJGULDG-UHFFFAOYSA-N 439.560 4.846 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 2331532509 NWMXLTKYLMXAGA-UHFFFAOYSA-N 436.395 4.643 30 10 IJEE CCOc1cccc(C=Nn2c(SCC(=O)Nc3cccc(C)c3)nnc2C(C)C)c1 2331682930 SZRLWCSNWOCGFU-UHFFFAOYSA-N 437.569 4.722 30 10 IJEE C[C@@H]1CC[C@H](Nc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339536512 LJHUMVDUXYRHBF-MJGOQNOKSA-N 443.397 4.926 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2360197265 IZPIBGLBWWOISR-ZGXWSNOMSA-N 433.390 4.567 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2360885206 SBLAERIUTBZFAN-GBESFXJTSA-N 435.406 4.720 30 10 IJEE CSC1(C#C[C@H](OCCCN)c2cc(Br)c(Br)s2)CC1 2361284187 FMOKDXQERVZBCL-NSHDSACASA-N 439.238 4.579 30 10 IJEE Cc1cc(CN2CCN(Cc3ccccc3)CCC2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2369733797 PQVYVAIVNITSHE-UHFFFAOYSA-N 448.460 4.781 30 10 IJEE COCC/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1ccc(F)cc1 12604704 QZVNYTZHPHWZKR-QQGUOSOASA-N 434.334 4.548 30 10 IJEE CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Br)cc2)cc1 21259807 KSNCSJZSLPDWJA-QFBILLFUSA-N 440.337 4.852 30 10 IJEE CC(C)(C)[C@H]1CCc2c(sc(N3C(=O)C[C@@H](Sc4ccc(N)cc4)C3=O)c2C#N)C1 22867870 FEMLRBATASVYHN-ORAYPTAESA-N 439.606 4.777 30 10 IJEE CCN(CC)S(=O)(=O)c1cccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)c1 33960158 AKMOQIIFIMCADW-KKTPBOSZSA-N 440.594 4.952 30 10 IJEE C=CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC)c1 35487711 WFHNJZCSDYLFLE-NRFANRHFSA-N 439.895 4.593 30 10 IJEE COC(=O)c1ccccc1C(=O)O/N=C1\CC(C)(C)Cc2c1c(C)nn2-c1ccccc1 39853051 LYCMVWIVCXUCCC-NHFJDJAPSA-N 431.492 4.501 30 10 IJEE COc1ccc(/C=N\N=C2\S/C(=C\c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 47137554 NSVAZYONSXKEMP-QXZAMSPYSA-N 447.516 4.803 30 10 IJEE CC(=O)/C(=N/Nc1ccc(Br)cc1)NCCOc1ccc(C(C)(C)C)cc1 59502461 BBCNWCIMAZMYHU-UHFFFAOYSA-N 432.362 4.730 30 10 IJEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(Br)cc3F)C2=O)cc1 96546864 OVTVWCFBHOAJQL-OAQYLSRUSA-N 447.304 4.510 30 10 IJEE COc1cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccccc1 100313891 QSEYNUDVAPFBDJ-PKAZHMFMSA-N 427.504 4.823 30 10 IJEE CCc1ccc([C@@H]2/C(=C(/O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 102623604 KAQMBPBZAUZKEA-NSJGZDSGSA-N 446.528 4.655 30 10 IJEE Cc1nnc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)s1 103097914 PLXPWIJZJDTBTF-CFBLSMTOSA-N 446.315 4.780 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1C 169983328 XBDKUBDNYWPAJU-NRFANRHFSA-N 433.485 4.877 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccc(OCC)c3)[C@@H]2c2ccco2)cc1 170097834 RSGJHRDGGINNQT-HSZRJFAPSA-N 447.487 4.856 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cc(F)ccc2OC)[C@H]1c1ccc(N(C)C)cc1 170129764 DHDWWINSRYMWHN-JOCHJYFZSA-N 440.515 4.669 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccc(C#N)cc2)[C@H]1c1cccs1 170161178 SRSSJIKONONGLK-NRFANRHFSA-N 430.485 4.720 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccn2)cc1 170168087 DPXYGUIYUQFLCB-OAQYLSRUSA-N 434.517 4.710 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccncc2)cc1C 170199455 KJKLTPFDUDVLLB-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@H]2c2ccccc2)cc1C 170227542 QPKXGOJGLJYUAV-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2ccccc2O)[C@H]1c1ccc(F)cc1 170239279 SSRCQWICPIHUFM-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)c1 170241888 KOXLUXIWHQLSJI-HSZRJFAPSA-N 446.478 4.786 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2C)cc1C 170273810 JRHGAEHKBZUCRN-GBXCKJPGSA-N 449.547 4.850 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2C)cc1C 170273814 JRHGAEHKBZUCRN-RDPSFJRHSA-N 449.547 4.850 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2sccc2C)cc1C 170313349 QLXSPXJPNQZSBZ-HXUWFJFHSA-N 443.565 4.767 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCCC3)cc2)[C@H]1c1cccnc1)c1ccccc1 170354282 ZGXDHISKZGDBAQ-DEOSSOPVSA-N 439.515 4.855 30 10 IJEE C=CCOc1ccc(/C=C(/Cl)c2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1 205687035 GBTIIDHQTMXDLX-XMHGGMMESA-N 445.972 4.608 30 10 IJEE C=C(Cl)CSc1nnc(CCNC(=O)/C=C\c2cccs2)n1-c1ccc(F)cc1 209127916 GXIZVIWYQWVZAW-HJWRWDBZSA-N 448.976 4.685 30 10 IJEE Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CC[C@H](Oc2ccc(C#N)cn2)CC1 238953849 XMXXUSLMXVCMEV-QAQDUYKDSA-N 436.899 4.690 30 10 IJEE CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1=NNc1ccc(Cl)c([N+](=O)[O-])c1 252462226 QVDSUDISVGFOLQ-UHFFFAOYSA-N 440.872 4.562 30 10 IJEE Cc1ccc(NC(=O)C[C@H](C)NC2CCC(Oc3ncccc3C#N)CC2)cc1Cl 437104088 CLJGAXXOZHMSFX-VQSBYGRUSA-N 426.948 4.612 30 10 IJEE N#C[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1cccc(C(F)(F)F)c1 505913169 RDIDCKOSEIIBEK-GOSISDBHSA-N 444.482 4.913 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 508473884 QQELXCPWDXYFSE-UHFFFAOYSA-N 430.552 4.759 30 10 IJEE C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(S(C)(=O)=O)cc1 510518283 DNCBPCBTVODDPX-INIZCTEOSA-N 435.505 4.637 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@H]2c2cccnc2)cc1OCC 526490749 PCIDMNBRCLYLNG-DEOSSOPVSA-N 441.487 4.808 30 10 IJEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 549693065 MOTLYVIIMQGDPU-HSZRJFAPSA-N 441.535 4.666 30 10 IJEE N#CC[C@@H](c1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 700360827 WFEUMBFZYYQKCA-UUOWRZLLSA-N 426.472 4.676 30 10 IJEE COc1ccc(Oc2cccc(Br)c2C#N)cc1I 712928227 AWQPXDQFZPARFD-UHFFFAOYSA-N 430.039 4.726 30 10 IJEE N#CCOc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 735305618 ASFVXFNUQBEPGD-UHFFFAOYSA-N 438.742 4.507 30 10 IJEE C#CCOc1ccc(NC(=O)NC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 735569675 FREBXBPALZTFRT-GCJKJVERSA-N 445.485 4.922 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)NC[C@H]3CCN(CCc4ccccc4)C3)c2)s1 740046438 HNLUPQBZAGVFDG-JOCHJYFZSA-N 444.604 4.651 30 10 IJEE Cc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(S)nnc2[C@H]2CCCCO2)cc1 743452009 PRJOJZKKOLGPRA-OAQYLSRUSA-N 444.564 4.852 30 10 IJEE CCOC(O)=C1C=CC(=NC(=S)/C(=C(/O)c2ccc(C#N)cc2)[n+]2cccc(C)c2)C=C1 762438280 MGXGXLZJSHNEPD-UHFFFAOYSA-O 444.536 4.739 30 10 IJEE Cc1cc[n+](/C(C(=S)N[C@@H]2CCc3ccccc3C2)=C(/O)c2ccc(C#N)cc2)cc1 762439599 MBWKAVMDDOLOTI-HSZRJFAPSA-O 426.565 4.513 30 10 IJEE N#Cc1ccnc(NC(=O)c2cc(Cl)nc(Oc3ccc(Br)cc3)c2)c1 766957156 MYRCRKGFKNATBP-UHFFFAOYSA-N 429.661 4.809 30 10 IJEE CCCc1cc[n+](/C(C(O)=C2C=CC(=NC(=O)C(C)C)C=C2)=C(/S)NC2(C)CC2)cc1 789420416 OIWMEMOTKVEDJD-UHFFFAOYSA-O 438.617 4.686 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1cccc(Br)c1C 791772198 YYEUWIYSROCLBH-SFHVURJKSA-N 427.342 4.772 30 10 IJEE C[C@@H](C(=O)Oc1ccc(Sc2ccnc3cc(Cl)ccc23)cc1)n1cnc(C#N)n1 798463380 AEJWACSXYFPOGR-ZDUSSCGKSA-N 435.896 4.669 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](c2ccccc2C)C1 802550779 HFQFIFPLNQOLKQ-QFIPXVFZSA-N 445.567 4.583 30 10 IJEE CC(=NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(N2CCOCC2)cc1 915051677 MPUIYJNYQNLDBE-UHFFFAOYSA-N 438.535 4.607 30 10 IJEE CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3C)N(CC(C)C)C2=O)cc1 916215091 CZJGGJWSPHHLJY-NRFANRHFSA-N 437.565 4.814 30 10 IJEE C#CCOc1ccc(NC(=O)c2cc(C)c(Cl)cc2I)cc1 1126141037 IKMHFNZEGCCDNF-UHFFFAOYSA-N 425.653 4.517 30 10 IJEE C#CCCN(CC(F)(F)F)C(=O)CCc1cc(Br)c(Br)s1 1127798351 BDSWZWOHMUKHNO-UHFFFAOYSA-N 447.114 4.620 30 10 IJEE O=C(c1nnn(-c2cccc(F)c2)c1C(F)(F)F)N1CCc2c1cccc2C(F)(F)F 1127876762 FKHUKPJBCSIJCN-UHFFFAOYSA-N 444.310 4.647 30 10 IJEE C=CCN(C(=O)c1ccc(C)cc1Br)[C@@H](Cc1ccccc1)C(=O)OCC 1128110727 DSHSWYMGESOWDM-FQEVSTJZSA-N 430.342 4.560 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)s1 1128579997 BWTCYIAXBYIPTN-CYBMUJFWSA-N 448.054 4.600 30 10 IJEE C/C(=C/c1ccc(Br)o1)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1128727505 OQBBTZZEOTYJDK-RAXLEYEMSA-N 433.277 4.526 30 10 IJEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCCc2ccccc21 1134093609 QVDZZRWFIHTANW-VGSWGCGISA-N 441.358 4.886 30 10 IJEE CC(C)(C#N)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 1135482611 DVKXVMLBLNHOOK-UHFFFAOYSA-N 426.325 4.673 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 1137688128 ILSZJEJNVHBJSV-UXHICEINSA-N 432.536 4.639 30 10 IJEE C=CC[C@@]1(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)CCCN1C(=O)OC(C)(C)C 1138077041 GJSCEMVFFHSDIA-XXBNENTESA-N 434.964 4.586 30 10 IJEE C=C(C)[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(F)c(F)c1 1138369146 OIICOMGKIMKEJB-QFIPXVFZSA-N 442.487 4.813 30 10 IJEE C=CC1(CC(=O)Nc2ccc(OC(F)F)c3ncccc23)CN(C(=O)OC(C)(C)C)C1 1142094956 WRZOKLNTAXLKQI-UHFFFAOYSA-N 433.455 4.588 30 10 IJEE C=CCn1c(SCC(=O)N(C)C[Si](C)(C)C)nnc1-c1ccc(Cl)cc1Cl 1144338772 RSWDVBKLJCKCOO-UHFFFAOYSA-N 443.476 4.866 30 10 IJEE C=CCCCN(CC)C(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1158465836 KJLFLFFPTLOBFO-UHFFFAOYSA-N 441.984 4.815 30 10 IJEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)C[C@@H](CC#N)c1ccccc1 1162711977 FFQIQZSXPDEJIR-PZJWPPBQSA-N 425.573 4.712 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 1170344811 ATLSQZXZTGIAEU-HOCLYGCPSA-N 442.478 4.788 30 10 IJEE N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 1185778043 DLVLTGBATZXWEA-UHFFFAOYSA-N 434.536 4.967 30 10 IJEE C[C@H](SC1CN(C(=O)OC(C)(C)C)C1)C(=O)Nc1sc2c(c1C#N)CCCCC2 1189841980 BOSRRWWMKPEKDC-ZDUSSCGKSA-N 435.615 4.568 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 1200155278 YDHGCXKLCKWNGQ-UHFFFAOYSA-N 439.512 4.911 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)OC(C)(C)C)C3(C)C)cc21 1209775064 SVFTZKHKZZHBPV-AYOQOUSVSA-N 426.561 4.736 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 1224080772 AJCZSFBSUVDICS-UHFFFAOYSA-N 428.577 4.660 30 10 IJEE Cc1cccc(-c2ccc(CNC(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)c1 1228698332 DIBBQEYMNWSOJF-UHFFFAOYSA-N 435.531 4.934 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(OC)cc(Br)c2OC)c1 1264919283 OVYFEJXKZXOAAI-UHFFFAOYSA-N 440.293 4.888 30 10 IJEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cc4ccccc4cc3C#N)c2)C1 1275725096 BOOHLNDQHLFXNW-HDICACEKSA-N 447.560 4.630 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C(C)C)C1 1286337807 VRDIIBKJQXYVST-DEOSSOPVSA-N 431.584 4.627 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1Br 1286553830 GFGNNFUJGYGCGE-UYAOXDASSA-N 445.405 4.926 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 1286691584 LOWPEQYMNPMPAL-NRFANRHFSA-N 444.023 4.931 30 10 IJEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1286707351 YNEFBGGUUGUWAE-CYBMUJFWSA-N 428.421 4.705 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC[C@@H]1CCO[C@H](C)C1)C1CC1 1286732435 SRIRWLSVBAMCGK-CEXWTWQISA-N 428.552 4.917 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CC[S@](=O)C(C)(C)C 1286748509 XOHWLUJBDGGHPY-LJAQVGFWSA-N 428.627 4.746 30 10 IJEE C#CCC1(NC(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CCC1 1289151360 UTGACOMVGPHUKV-UHFFFAOYSA-N 430.455 4.690 30 10 IJEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN(CC(C)C)C2)cc1 1292484423 HGHJNDDUFZXBJC-QHCPKHFHSA-N 434.632 4.615 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@](C)(O)c1ccsc1 1300286217 GFLYIQMXDZKOOL-ZUOKHONESA-N 435.380 4.679 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC1CCC(OC)CC1 1300321862 OTKACKYPGWXKFZ-ZJRDLVKKSA-N 430.980 4.564 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)Cc1cnc(C)s1 1300391881 HPEZUASNHSPPBC-UHFFFAOYSA-N 447.564 4.932 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nc(C)c(C)s1 1300605931 CJEMDOFDYBMCAJ-AWEZNQCLSA-N 425.627 4.713 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(F)cc2Br)n1Cc1cccs1 1300790103 IESLTEHMUDEGPY-HXUWFJFHSA-N 445.361 4.949 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](COCC)C1 1300964317 WJEQDXLZUGXWGX-FQEVSTJZSA-N 426.605 4.984 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1300982720 OUHIAEBYRMEFBH-XLIONFOSSA-N 439.362 4.697 30 10 IJEE C=C(C)COCCn1c(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nnc1C(C)(C)C 1301002056 SPNRADIFJWZUSK-LJQANCHMSA-N 436.959 4.539 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN(C)[C@@H](C)CC)CC1 1301112371 SQKQNGUYVVNDIA-KRWDZBQOSA-N 433.547 4.679 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1301142140 WOKNBVZSWHSQOW-QFIPXVFZSA-N 448.615 4.552 30 10 IJEE C=CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)(C)C)CC1 1301175959 MGALTZDGYBGFFC-UHFFFAOYSA-N 433.547 4.823 30 10 IJEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301232324 XWRSATSUBDATDZ-QFIPXVFZSA-N 434.588 4.687 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccc(OC)c(OC)c1 1301279144 XHSORJLTWYMBDX-UHFFFAOYSA-N 438.597 4.963 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCO[C@H]1C(=C)C 1301280198 FTANHBTVIYZGMB-MJGOQNOKSA-N 431.378 4.619 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](OC)C(C)C 1301379151 CAZFHQZPNBPWFO-GOSISDBHSA-N 437.357 4.696 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccns1 1301846533 IXJCDYGUEUCTSV-OAQYLSRUSA-N 433.533 4.955 30 10 IJEE Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCS1 1304057774 CAFFZOJXKBKKRG-QAPCUYQASA-N 438.626 4.869 30 10 IJEE N#Cc1ccc(NC(=O)CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 1307596436 GYGYKBQFOTWMJU-SANMLTNESA-N 444.966 4.557 30 10 IJEE C#CCOc1ccc(Br)cc1CNCCOc1ccc(C(F)(F)F)cc1 1308210257 GDRJZXNIXAHTBH-UHFFFAOYSA-N 428.248 4.649 30 10 IJEE C=C(C)[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(F)c(F)c1 1310063652 MXKYILQMIVQOBT-FQEVSTJZSA-N 444.507 4.850 30 10 IJEE C=C(C)[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)OC(C)(C)C)C2)c1ccc(F)c(F)c1 1312534997 IULYBIYMTHJMHY-DILOTOHQSA-N 435.515 4.669 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC(C)(C)CN1C(=O)OC(C)(C)C 1313147618 PUPMPDCMYJFZCG-NRFANRHFSA-N 440.588 4.682 30 10 IJEE CSc1nc(O)c(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)cc1C#N 1348881318 CRSBFUMBAJSLSO-UHFFFAOYSA-N 426.567 4.771 30 10 IJEE C=C[C@@H](CC(=O)N[C@@H](C(=O)OCC)c1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 1352806348 RYOWUQUKTOEXHO-UQBPGWFLSA-N 449.526 4.709 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCc1csc(C)n1 1358896621 IRXZQBNVGWGAAF-SFHVURJKSA-N 437.613 4.754 30 10 IJEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1C1CCC1 1358929379 YTYHLOBQTCULDU-NRFANRHFSA-N 441.620 4.575 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCS1 1358969389 OAWSFIDHHWDPFB-QUCCMNQESA-N 443.016 4.657 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCO[C@@H]1CCCC[C@H]1C 1358989560 HONUGBJBXBEBBR-PXDATVDWSA-N 441.579 4.552 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC1(N(C)C)CCC1 1359107081 BWELPKBQFDGZLY-NRFANRHFSA-N 425.621 4.922 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359117684 OQXWZEYOHFIRFT-JKIFEVAISA-N 444.885 4.804 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](C(=O)OC)C1 1359184085 BPRFRYKNOWKJRS-SJORKVTESA-N 442.629 4.733 30 10 IJEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(C)C)C1 1359221700 LDPVBWMPXSWFHK-NRFANRHFSA-N 439.604 4.612 30 10 IJEE C=CCN(c1nnc(CC2CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 1359252757 FKNLLNLRDVEEJM-LJQANCHMSA-N 429.609 4.565 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCC(C)CC2)c(C)o1 1360998386 ALHSSTMYZGLHOH-BKEVJBPYSA-N 447.583 4.949 30 10 IJEE COCCN(C(=O)Cc1csc2ccc(Br)cc12)c1ccc(C#N)cc1 1435141122 GNAWSGAAJLTLMZ-UHFFFAOYSA-N 429.339 4.758 30 10 IJEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)Cc1cc(Cl)ccc1Br 1436520019 AWOSEGDBPQGUDW-UHFFFAOYSA-N 429.705 4.650 30 10 IJEE C#CC[C@@]1(C(=O)N(C)[C@H](CCc2ccccc2)C(F)F)CCCN1C(=O)OC(C)(C)C 1438194735 WUOIXDZEUIXWHA-DVECYGJZSA-N 434.527 4.504 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2(C(C)C)CC2)c1 1457328128 QEUHOYHHHOWRHA-UHFFFAOYSA-N 447.000 4.887 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H]2C=CCCC2)ccc1Cl 1457719135 DCJHRLHTVHAZQI-SFHVURJKSA-N 430.957 4.560 30 10 IJEE C#CC[C@]1(C(=O)NCC(C)(C)c2cccc(Cl)c2F)CCCN1C(=O)OC(C)(C)C 1459353465 NQXLBIWKHTZJKF-HSZRJFAPSA-N 436.955 4.666 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 1469389547 OXJLLCLNEPEKFE-WFXMLNOXSA-N 440.588 4.955 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1ccc(F)c(F)c1 1469857515 UORQAHQYBDDCFZ-OALUTQOASA-N 437.531 4.917 30 10 IJEE C#CCN(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCCc2ccccc21 1470869984 CXFFBPFYEYYIRT-FGZHOGPDSA-N 427.589 4.648 30 10 IJEE CC#CCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 1472482496 UPJYPGZADHDAFE-UHFFFAOYSA-N 425.337 4.926 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)CC1 1477946643 APXSQBQMHUGFCG-RUZDIDTESA-N 442.538 4.949 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1csc(CC)n1 1507619525 PCOHMHVMJRLSHZ-UHFFFAOYSA-N 432.018 4.555 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCCCc1nc(C)cs1 1507645338 ZXFHJUAGCUGYJW-UHFFFAOYSA-N 441.963 4.598 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC[C@H](F)C1 1507699320 BONVGVBDQCYDSK-PXNSSMCTSA-N 441.913 4.911 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1507838361 QMTXGNRCFFOTNY-WMZHIEFXSA-N 438.616 4.839 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H](CC)O[C@H](C)C1 1507858068 BGUXXRHKOILISX-OCCSQVGLSA-N 443.748 4.603 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cccc(C(F)(F)F)n2)CC1 1507888212 KOGORZFSUAATIX-UHFFFAOYSA-N 443.473 4.784 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cc(C(C)(C)C)no1 1507975276 LTGOPAIHDKUVDG-UHFFFAOYSA-N 439.560 4.699 30 10 IJEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1c[nH]c2ccccc12 1508160014 RDQYPAINIHMWFP-NRFANRHFSA-N 425.602 4.947 30 10 IJEE C=C(C)[C@H](NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)c1ccc(F)c(F)c1 1517410141 KDLLYLLQNCUSGN-IBGZPJMESA-N 437.277 4.959 30 10 IJEE C#Cc1ccc([C@H](OC(=O)c2nn(C(C)(C)C)cc2Br)C(F)(F)F)cc1 1525856387 NZJKNVODVPNLJL-HNNXBMFYSA-N 429.236 4.842 30 10 IJEE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1526174457 AZMYFVMBMOSJBC-ZHRRBRCNSA-N 441.453 4.910 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 1532322880 HEJJFUMUSBJXAI-UHFFFAOYSA-N 439.510 4.635 30 10 IJEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC=C)Cc1cccs1 1539071764 DLEFENLWSPXZNP-JOCHJYFZSA-N 434.565 4.848 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(-c2ccsc2)nc1 1539253553 WAOPKFFRADCQCM-UHFFFAOYSA-N 443.963 4.843 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(Cl)cc1 1539384046 UQEAHQFFVVOPBW-IBGZPJMESA-N 443.979 4.511 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@](C)(O)c1cc(C)oc1C 1539675747 CMJQSPXGFMNVIC-AREMUKBSSA-N 447.583 4.801 30 10 IJEE C=CCC(C)(C)Cn1c(N2CCC[C@H]2c2ccc(C)o2)nnc1[C@@]1(OCC)CCOC1 1539932206 YCDNNYHOJKZQRV-YADARESESA-N 428.577 4.775 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCOC2)n1CC1(OCC)CCCC1 1540137108 PTWZRTBDASLINK-OAQYLSRUSA-N 442.579 4.853 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1540395071 DVOCKNGTXABOOM-QZTJIDSGSA-N 447.000 4.839 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccsc2)nnc1N1CCS[C@H](CC)C1 1540882015 ZLQUCWHIKJRCNQ-HXUWFJFHSA-N 440.638 4.875 30 10 IJEE CCCn1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)n1 1544595959 CVUCOCWNXIKPMI-UHFFFAOYSA-N 433.459 4.792 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc3ccccc3n2)nnc1N(CCC#N)CCOC 1546636877 BZIMOGNMNABZLV-TZIWHRDSSA-N 432.572 4.686 30 10 IJEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)c1nccs1)C(C)(C)C 1554638349 DHOLWZRCSIVRGT-APWZRJJASA-N 438.601 4.574 30 10 IJEE COc1ccccc1/C=N\N=C1/S/C(=C\c2ccccc2O)C(=O)N1Cc1ccco1 1554646888 VTFAZDMGOIIVJO-WLUIOLKMSA-N 433.489 4.500 30 10 IJEE C#CCN(CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1559544705 DYUAMJHQFIYSMD-GOSISDBHSA-N 433.733 4.500 30 10 IJEE O=S(=O)(C[C@H]1CCCCC1(F)F)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1561427487 DSTFCQMOWXDGFJ-ZWNOBZJWSA-N 437.377 4.636 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1)c1ccc(F)c(F)c1 1564598111 ZOSBCPFIXISQCH-RXVVDRJESA-N 435.515 4.815 30 10 IJEE C=C[C@@H](C)ONC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 1565008949 HLWWIAXTSPFCIL-FZKQIMNGSA-N 440.396 4.960 30 10 IJEE CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1567193875 DPWXWXAKVASNOM-HXUWFJFHSA-N 433.335 4.870 30 10 IJEE C#CC[C@@]1(C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)CCCN1C(=O)OC(C)(C)C 1583689489 JRUWMJOPAXBZTJ-JTSKRJEESA-N 436.474 4.862 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1c2ccccc2CN1C(=O)OC(C)(C)C)C(C)C 1585128743 KEIRSSHPZALKGZ-PKTZIBPZSA-N 441.616 4.683 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCN1C1CC1 1587667811 NFMZEMRMXDVGRC-OFNKIYASSA-N 449.643 4.629 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@H]1CC[C@](C)(CC)O1 1588186420 XXAMBMGYHMHVII-IDISGSTGSA-N 441.579 4.612 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1588298101 TXTIGXDPFKGKHJ-AUSIDOKSSA-N 449.624 4.558 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)Cc1ccc(SC)c(OC)c1 1589069383 KIENNZPKHBDRME-UHFFFAOYSA-N 432.659 4.600 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1CC1C[C@H](C)O[C@@H](C)C1 1589242499 BTYVUOATHMYFTJ-ISJBWFOZSA-N 436.600 4.670 30 10 IJEE C=C(Br)Cn1c(Cc2ccccc2C)nnc1N1CCC(Cl)=C(Cl)C1 1589421408 LMGLJAPBIQAMAQ-UHFFFAOYSA-N 442.188 4.985 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCCS1 1589608064 BEHRUHHTZNQGJP-INIZCTEOSA-N 438.439 4.734 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1594504128 HXJYTENXUSYKDL-UHFFFAOYSA-N 429.568 4.866 30 10 IJEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1594787954 CRCUWNUVKRWMDD-FQEVSTJZSA-N 444.023 4.503 30 10 IJEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(C)C)CC1 1594788639 QLJSRPNYWAVDRD-UHFFFAOYSA-N 434.588 4.800 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[C@@H]1CCCCO1 1595133366 FFURJONHRVRUFL-QFIPXVFZSA-N 435.547 4.555 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCCc1cccc(F)c1 1595162020 SVFCPOQKQBUBOK-LJQANCHMSA-N 426.561 4.808 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](C)C1)C(C)C 1595166727 WWIMTWFKCKIQNJ-ZRCGQRJVSA-N 425.596 4.875 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc(C)o3)nnc2N(C)C2CCN(CCC)CC2)cc1 1595608587 UOQQLXSRQZREOW-UHFFFAOYSA-N 449.599 4.770 30 10 IJEE C=CC[C@]1(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)CCCN1C(=O)OC(C)(C)C 1598508023 TZGRKGQUTSDVCD-HOYKHHGWSA-N 430.545 4.565 30 10 IJEE CC1(C)CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1611768961 GZHJDBMQNZQDIR-CPJSRVTESA-N 432.572 4.685 30 10 IJEE Cc1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](CC(C)C)N(C)C)c2ccccc2n1 1611934973 CNRZRGXJZJBGGX-OAQYLSRUSA-N 445.615 4.518 30 10 IJEE CCCC1(Cn2c(N3CCCN(Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)CC1 1614429120 AXKNRXLXMOSSQU-UHFFFAOYSA-N 434.632 4.740 30 10 IJEE Cc1sc2nc(CS[C@H](C)C(=O)NC(C)(C)c3cccc(C#N)c3)nc(O)c2c1C 1617379298 VPTMNTCKQBLPQK-CQSZACIVSA-N 440.594 4.559 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(C)CCCN3CCCC3)c2C#N)C1 1617546467 GVFKZIMMMJYTPJ-SFHVURJKSA-N 430.662 4.517 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2cc(F)ccc2C)s1 1618642164 QFUKEFYDGXTQDC-CQSZACIVSA-N 440.928 4.627 30 10 IJEE C=CCOCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 1618652482 AARWKGZSWKBFIN-MNDPQUGUSA-N 443.503 4.952 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H](C)c3cccc(C(F)(F)F)c3)n[nH]2)c1C 1624297414 JFGVBABJYUXXGN-AWEZNQCLSA-N 431.462 4.928 30 10 IJEE COC(=O)CCc1ccccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1625218560 HBJWRKBGOLMAPP-UHFFFAOYSA-N 428.488 4.690 30 10 IJEE C=CC1(CC(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)CN(C(=O)OC(C)(C)C)C1 1626241026 ZFYBIHOYIPIPBW-IBGZPJMESA-N 430.589 4.724 30 10 IJEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc2cccc(C(F)(F)F)c2nc1O 1634200055 PWDKMLYBLUQEEE-MJGOQNOKSA-N 425.410 4.871 30 10 IJEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 1634608003 HFJXXQACLSTZBG-KRWDZBQOSA-N 437.471 4.685 30 10 IJEE Cc1c(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)sc2ccc(C#N)cc12 1635183555 FAUVTNFJQFYXSF-INIZCTEOSA-N 440.366 4.853 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3n[nH]c(C(F)(F)F)c3-c3ccccc3)C2)c(F)c1 1641905583 GFSBUPHPVIATDG-HNNXBMFYSA-N 443.404 4.571 30 10 IJEE C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccc(OC(F)(F)F)cc1 1655235156 GDIJMLRZPUQFRM-SNVBAGLBSA-N 438.349 4.515 30 10 IJEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCC1CCCCC1 1660260875 NACRSUWASSMETF-LJQANCHMSA-N 440.403 4.508 30 10 IJEE N#CCc1ccccc1S(=O)(=O)NCC1(c2ccccc2Br)CCCCC1 1663420452 BBSJVAWYWOOVGH-UHFFFAOYSA-N 447.398 4.696 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](O)c3ccc(Cl)c(Cl)c3)cc2)nc1 1666477320 BVBGAMOHMADAFW-LJQANCHMSA-N 443.290 4.907 30 10 IJEE Cc1c(S(=O)(=O)N2CCC(c3cccc(F)c3F)CC2)sc2ccc(C#N)cc12 1669981809 CHUIWYCPKQWYPO-UHFFFAOYSA-N 432.517 4.928 30 10 IJEE C#CCOc1ccc(CNC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)cc1 1672951946 NHOUFDWEPMJNDM-VQIMIIECSA-N 427.342 4.549 30 10 IJEE C#CCOc1ccc(CNC(=O)N2Cc3cc(OC)ccc3C[C@@H]2c2ccccc2)cc1 1672952103 QCKUJVZKXXTWDV-AREMUKBSSA-N 426.516 4.716 30 10 IJEE C=C(C)COc1cccc(NC(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1 1674221721 ULBCAHSYYSEVRC-VQIMIIECSA-N 433.549 4.524 30 10 IJEE C=C(C)[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)c1ccc(F)c(F)c1 1675237656 BKBHGGQUAZBCBR-GOTSBHOMSA-N 429.511 4.727 30 10 IJEE C#Cc1cccc(CNC(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)c1 1678308263 XEZIBLZTUQFIAM-UHFFFAOYSA-N 443.732 4.650 30 10 IJEE C=CCC[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 1681578073 IARCNVRRTULAHZ-DHIUTWEWSA-N 427.976 4.720 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccsc1 1689901989 SUXOWJKGLDVAPW-QFIPXVFZSA-N 431.565 4.935 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1C[C@H](O)CC2(CCCC2)C1 1689919611 UFEKLNZPLWWJFH-QGZVFWFLSA-N 433.383 4.797 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CCC)CC1CC1 1690247772 FVZATOGUYBHQHN-FDDCHVKYSA-N 430.543 4.755 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1690279602 TUSUXRFMLLFZSV-UHFFFAOYSA-N 440.960 4.911 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCOCC(F)F)CC1 1690382690 YWJQVXLIQPRRPU-UHFFFAOYSA-N 448.558 4.983 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690476467 DICKRVHQEQGYEM-JKSUJKDBSA-N 449.368 4.676 30 10 IJEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](SCC)C1 1690504036 WKKAFRPLBPHUAF-NRFANRHFSA-N 425.602 4.521 30 10 IJEE C=CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC[C@H]1C)C1CC1 1690538869 QRPOYBHDCHJKMO-IAGOWNOFSA-N 426.561 4.562 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCC=C(C)C 1690567618 JJXUBIJSKLLQCI-UHFFFAOYSA-N 434.519 4.613 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1Cc1nnc(C(C)(C)C)s1 1690567685 LNPLEBUZRGFLJC-GOSISDBHSA-N 438.601 4.520 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN(C(C)C)C1 1690599361 VXMLYDLYWXWJOE-NRFANRHFSA-N 432.616 4.649 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[C@H]2C[C@H](F)C2)C1 1690685601 AJNQBCLTHMERCG-CMOCDZPBSA-N 442.579 4.954 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2csc(CC)n2)C1 1690685622 ATZWIRACHQOYDZ-NHCUHLMSSA-N 437.613 4.669 30 10 IJEE CC(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 1692369395 CXOTXXUBHYSPRQ-NHCUHLMSSA-N 434.632 4.810 30 10 IJEE Cc1cc2cc(Cn3c(-c4cccnc4)nnc3N(CCC#N)CCC(C)C)ccc2[nH]1 1693013194 AJIZAQREMQECQT-UHFFFAOYSA-N 427.556 4.944 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)c1nc(C)cs1 1705483350 SPBFERMRKYNCDS-ZFWWWQNUSA-N 444.402 4.734 30 10 IJEE C#CCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705511362 RKXNQGATFFCXLL-RHSMWYFYSA-N 442.432 4.985 30 10 IJEE C#CCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@@H](C)C[C@@H]1CC 1705531105 YGSCMAYEJGOHIT-RDJZCZTQSA-N 431.378 4.754 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(Cl)ccc2C1 1705655834 MWLXCRPXAWRJNS-UHFFFAOYSA-N 444.391 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@H](C)N(C)C1CC1 1705668220 HEMCKWVYSZDHQE-JDRJUVJTSA-N 435.616 4.510 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC1CCN(C(=O)OC)CC1 1705712090 KDRGNYZVRMUQJK-UHFFFAOYSA-N 449.958 4.618 30 10 IJEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(c2cccc(OC)c2)CC1 1705735078 JAOQIMLNLQWUQP-QHCPKHFHSA-N 440.588 4.505 30 10 IJEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 1705754654 CPNQGJZYDMXFBE-UHFFFAOYSA-N 426.996 4.983 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCCCC1 1705798870 DFIFQTBGFHXTSN-UHFFFAOYSA-N 446.599 4.875 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccccn2)n1Cc1cccc(C(F)(F)F)n1 1705799175 OOZBVKOXULKCDI-UHFFFAOYSA-N 430.478 4.985 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1705809430 RDFZRSLXDOTENX-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1C[C@@H](C)O[C@H](C)C1 1705848224 HGLWYIHCTXHOOQ-RTBURBONSA-N 426.605 4.980 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CC[C@H](OC)C(F)(F)F 1705859474 AUGWHPFRRYIVBX-IBGZPJMESA-N 433.478 4.577 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705871638 RAZUKCBAGITVLH-NVQXNPDNSA-N 436.600 4.759 30 10 IJEE CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(Cl)cn1)C(C)C 1706490685 GGARKWAXGSCRQY-UHFFFAOYSA-N 438.963 4.815 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC1(CCOC)CCC1 1722280037 IQBDPJBTXMDHJM-SFHVURJKSA-N 426.630 4.940 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1722284202 IGNIHMHZDSYQSK-QRVBRYPASA-N 428.024 4.813 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC1(O)CCCCCC1 1722298549 DTDCTKDCJKQLGR-OAQYLSRUSA-N 438.616 4.832 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC(C)C 1722320228 TYQVVBGCFZBHPV-HXUWFJFHSA-N 431.625 4.678 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(C)OCCc2sccc21 1722406857 XGZSZPPRWXNYBQ-QFIPXVFZSA-N 426.973 4.608 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CC(CC)(CC)SC 1722472563 HHIVQLDXHDRIFJ-NFBKMPQASA-N 440.613 4.705 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1ccc(C)o1 1722521587 PRJRVZFOZOCVGW-UHFFFAOYSA-N 431.334 4.830 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(CC)C1CCCCC1 1722522940 NNJUMRNZYBFJFQ-UHFFFAOYSA-N 434.588 4.971 30 10 IJEE C=C(C)COCCn1c(-c2cccc3cccnc23)nnc1N(C)CC1CC(F)(F)C1 1722530363 SACXVLFFPYZLAB-UHFFFAOYSA-N 427.499 4.568 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCC(OC(C)(C)C)CC1 1722531937 WVOWTVHRIRQFPF-UHFFFAOYSA-N 432.996 4.975 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1722575228 BAWRJIRABVORIL-ZWKOTPCHSA-N 429.012 4.516 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1722586968 VMSYRAMBTATASZ-UHFFFAOYSA-N 432.572 4.694 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N(C)C1CCN(CCC)CC1 1722591262 HCMLVTGBJVMXSC-UHFFFAOYSA-N 427.612 4.921 30 10 IJEE C=CCCCn1c(N(C)Cc2ccsc2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722623432 UZRNUHFWWJOPAI-HDICACEKSA-N 431.606 4.713 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCC[C@@H]2CC)C1 1722713454 BOBGJVXZCNJJOS-VQTJNVASSA-N 444.023 4.644 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1740568891 UFSZMWBNQARDBA-GDBMZVCRSA-N 449.418 4.576 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](COCC)C1 1740581840 HFUIWPPACNASRS-MOPGFXCFSA-N 426.630 4.798 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1Cc1cscc1C(F)(F)F 1740655049 ZSWXVHDGCGRZRB-UHFFFAOYSA-N 442.510 4.769 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCc2cc(OC)ccc21 1740657033 SUYBJFXKNDUSJF-QHCPKHFHSA-N 430.596 4.602 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCSc1nccs1 1740665485 DLIMBEWGHCCHHZ-UHFFFAOYSA-N 448.017 4.706 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@H](c1cccs1)N(C)C 1740732699 NGCBYPXXOCRADO-PXDATVDWSA-N 433.625 4.534 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740766055 BJKCONZCEGUPJC-AJGMTHFWSA-N 442.579 4.901 30 10 IJEE C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(C)C)C1 1740781890 JGEMYRZZPXJXKV-IBGZPJMESA-N 434.588 4.684 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1740824470 MEHRIOPJPBEYDK-NHCUHLMSSA-N 441.595 4.834 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Cl)n2CC2(C(=O)N(C)C)CCCC2)CC1 1740835497 USTLTMBMQFBLKI-UHFFFAOYSA-N 442.007 4.650 30 10 IJEE C=CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[S@@](=O)C(C)(C)C)C1CC1 1740907798 YRXUFKFKZYUYSS-SSEXGKCCSA-N 428.646 4.945 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 1740908646 GBGVXAHEFOPXBW-OXJNMPFZSA-N 443.389 4.844 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCOC1 1740923487 NBSLBBXWRPZQAU-LJQANCHMSA-N 426.561 4.689 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)c1nccs1 1740936240 MGJJUIYSJWEBGP-SFHVURJKSA-N 444.564 4.905 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2Cl)n1CC1(C)CC1 1740938608 JOHIVLXGPBUFMR-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2CCCCC2)C1 1740972579 KBEAIYSLJCYUOA-AVRDEDQJSA-N 428.552 4.919 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H](c1ccsc1)N(CC)CC 1748677060 BSMPNEZRSUYCTA-PGRDOPGGSA-N 439.604 4.611 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1748760802 GPPCROICPQCLNR-IBGZPJMESA-N 434.918 4.796 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1Cc1c(C)sc(C)c1Br 1748776865 SUJATLHLORQEAD-UHFFFAOYSA-N 445.386 4.512 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1CC(F)(F)C1 1748913406 UWPVIBOLDUTHAP-UHFFFAOYSA-N 427.524 4.882 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H]1CCO[C@H](C)C1 1748918065 VTUCYWJSYQCEBE-MSOLQXFVSA-N 445.405 4.681 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1SC 1749129519 FASMWYLRGXSWDY-SJBKTWHCSA-N 442.629 4.512 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCOCc1ccccc1 1749131422 RWTVHAWKKVAXJN-GGAORHGYSA-N 426.605 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1749131664 UCBIIGKNLMHBEJ-ZVDOUQERSA-N 429.634 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CC(c2ccccc2)C1 1749144235 UTBDNNWCKFLJPY-GMLYINLCSA-N 438.616 4.915 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@](C)(O)c1ccco1 1749146282 AYNPVJZNUSUELI-OAQYLSRUSA-N 445.361 4.611 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1749269317 PUGLJBNCJLDICP-IBGZPJMESA-N 448.970 4.614 30 10 IJEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)Cc1ccco1 1749278637 HENFSJHTQUDQJS-UHFFFAOYSA-N 445.523 4.882 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@](C)(O)c1cc(C)oc1C 1749587458 VEUJHWJDRVTIAZ-SANMLTNESA-N 446.551 4.891 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1749646102 KYDRIQDVXPLAKX-BHIYHBOVSA-N 429.634 4.786 30 10 IJEE C#CCCCCn1c(N(C)Cc2c(F)cccc2Cl)nnc1[C@]1(OC(C)C)CCOC1 1760142470 CUQFRJMBFPCTDF-QHCPKHFHSA-N 448.970 4.551 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nc(C)cs1 1760212962 KOVSFSJWJOWSAR-UHFFFAOYSA-N 435.622 4.552 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@](C)(CC)O1 1760330523 GLPFMZYQKFQYPH-CYFREDJKSA-N 428.577 4.712 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1760432487 NIRUEMHARCCCAM-UHFFFAOYSA-N 445.321 4.547 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)CN1CCCC1 1760491510 JTXPVQHSYBRHTE-SFHVURJKSA-N 444.421 4.618 30 10 IJEE Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)c1c(C)noc1C 1761617920 DOBBPFGBDKJQER-CQSZACIVSA-N 447.568 4.627 30 10 IJEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(COC)CC2)CCCC1 1764428344 GUQVRXPPHCWWKC-UHFFFAOYSA-N 437.588 4.562 30 10 IJEE CCN(C(=O)CSc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)c1cccc(C)c1 1860827570 VKRXKSDUGPSYID-UHFFFAOYSA-N 438.940 4.828 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2cccc(Br)c2)cc1C 1862409419 LACJOWPYBCHZBZ-LJQANCHMSA-N 442.309 4.507 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@H]1c1ccc(C(=O)O)cc1 1862414869 KHDLZZDXUIRKFK-HXUWFJFHSA-N 443.446 4.822 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2CC(C)C)cc1OC 1862421265 GLOZZMZYTPQABX-OAQYLSRUSA-N 445.462 4.606 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862445829 DZRXPIUDWUIPJU-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862453978 MPVHJAIZMYERSO-NRFANRHFSA-N 441.911 4.900 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1 1862468577 RWQAJIHCIFKLOM-KZULUSFZSA-N 430.298 4.532 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCc3cccs3)[C@H]2c2ccc(O)cc2)c1 1862490133 OHWPSWZPBOHQLD-QFIPXVFZSA-N 433.529 4.892 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N([C@H](C)c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)ccc1F 1862503041 OIKLHONDRFKFHC-IQMFZBJNSA-N 447.462 4.885 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@H]1c1ccc(OC(C)C)c(OC)c1 1862511248 JKLGGNITOUZNML-JOCHJYFZSA-N 439.483 4.694 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc3c(c2)CCCN3C)cc1 1862539386 XBZIALVWZOMKGS-DEOSSOPVSA-N 432.564 4.866 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3ccc(C(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 1862661982 FOKKDARKNSVQAU-DEOSSOPVSA-N 442.515 4.992 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCOc3ccccc3)[C@@H]2c2cccc(C)c2)c1 1862699785 YNBDSCHSYHRMJS-XMMPIXPASA-N 443.499 4.661 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(c3cc(F)ccc3F)C2=O)ccc1F 1863093944 OFYVCNUCGZNZHN-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc(CC)cc1 1865503337 SSXBOLGWGVCLGZ-QFIPXVFZSA-N 448.611 4.559 30 10 IJEE C=CCN(CC=C)c1cc(N2CCO[C@H](c3ccccc3)C2)nc(Cc2ccccc2)n1 1869081979 XEIOZHNMMBKIRS-DEOSSOPVSA-N 426.564 4.824 30 10 IJEE CCCCCCCOc1cn(C[C@H](C)O)c(CSCc2nc3ccccc3[nH]2)cc1=O 1870251952 YLLXRXBYVQWTDT-SFHVURJKSA-N 443.613 4.888 30 10 IJEE CCCCCCCOc1cn(CCCN(C)C)c(CN2CCc3ccccc3C2)cc1=O 1870412202 ZQKCFIRGFYPBNY-UHFFFAOYSA-N 439.644 4.708 30 10 IJEE CCCCCCCCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCCCCC1 1870527987 KUQRILDPHJRAMP-QFIPXVFZSA-N 447.664 4.878 30 10 IJEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(OC)cc2)cc1=O 1870809004 KXUPCOQICUHDEN-UHFFFAOYSA-N 429.520 4.758 30 10 IJEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1870836643 OJKCRGTUDVFBQV-UHFFFAOYSA-N 448.571 4.652 30 10 IJEE Cc1c(OC(=O)c2cccc(Br)c2)ccc2c1O/C(=C\c1ccccn1)C2=O 1871364149 IRRKZCHXPWOJFR-UNOMPAQXSA-N 436.261 4.988 30 10 IJEE COc1ccc(/C=C2\Oc3c(ccc(OC(=O)/C=C/c4ccco4)c3C)C2=O)cc1OC 1871369547 QOZLHQDSPIMQLF-XNHXLOTDSA-N 432.428 4.840 30 10 IJEE COc1ccc(OC)c(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)c1 1871380351 KDWPFVPVIMBVGO-CMUCLLORSA-N 443.455 4.642 30 10 IJEE Cc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)cc(C)c3C2=O)o1 1871448075 JUGQGFLTYGUUQC-SYZMQFJCSA-N 448.431 4.827 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871817920 YDHYYGKAFVCQHH-GOSISDBHSA-N 432.561 4.762 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1ccc(CCCC)cc1)S(=O)(=O)c1ccc(F)cc1 1871823418 JSSPGAWMKJNGNY-JOCHJYFZSA-N 432.561 4.762 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 1872131497 ZAVDVPQDPDFFBB-QHCPKHFHSA-N 428.598 4.924 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2cccc(Cl)c2Cl)C1=O 1873341593 JNPNRVFKYSNVFC-UHFFFAOYSA-N 427.209 4.789 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1ccc(F)cc1F 1874239103 PGTMFNNQZWWLTI-ZMOGYAJESA-N 432.496 4.549 30 10 IJEE C=C(C)CSc1nnc(CCCOc2cccc(C)c2)n1/N=C/c1ccc(O)cc1O 1874246142 OSMIHTHUKSXZAV-ZVHZXABRSA-N 438.553 4.560 30 10 IJEE CC(C)(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc(F)cc1 1874437274 SQVMBHXJDRMRIK-DHRITJCHSA-N 443.523 4.758 30 10 IJEE COc1ccccc1/C=N/n1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CCCC1 1874454647 RZQAUKRKMKLASW-MFKUBSTISA-N 449.580 4.866 30 10 IJEE O=[N+]([O-])c1cccc(/C=N/n2c(SCc3ccccc3F)nnc2C(F)(F)F)c1 1874461362 JPRFNUFNECUVQR-LSFURLLWSA-N 425.367 4.519 30 10 IJEE O=C(CSc1nnc(-c2ccco2)n1/N=C/c1cccc(Cl)c1)NC1CCCCC1 1874467112 RXUSMCSJUGTOGW-YDZHTSKRSA-N 443.960 4.615 30 10 IJEE CCCOc1ccc(/C=N/n2c(S)nnc2CCCOc2ccc(Cl)cc2)cc1 1874570590 ZAIALRJKXNRWJE-HZHRSRAPSA-N 430.961 4.903 30 10 IJEE CCc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1 1874581747 DUONCLUYVMIFSE-UKTHLTGXSA-N 443.499 4.934 30 10 IJEE COc1cccc(C(=O)Oc2cc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC)c1 1874698199 KYGLPMJCCIRBLC-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE C=CCN(CC=C)CCC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 1874722335 ZEXFTQVJFDXJMY-UHFFFAOYSA-N 426.944 4.913 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OC(=O)CC(C)C 1875094174 FNYJITZQQHQQRU-CMDGGOBGSA-N 442.424 4.749 30 10 IJEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc34)C2)c1 1891739078 GOJNWKGCCNVBIU-QGZVFWFLSA-N 426.501 4.523 30 10 IJEE CC(C)(C)OC(=O)NC1([C@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)CCCCC1 1902024334 UOQBCUHMPRTEQD-AWEZNQCLSA-N 435.487 4.906 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H]2C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC[C@H]21 1912175317 KRGGPNONMSSLIX-WHSLLNHNSA-N 434.541 4.606 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCC[C@H]2NC(=O)OC(C)(C)C)cc1 1943910161 GOTAGXXWVDGRDM-JPYJTQIMSA-N 431.533 4.776 30 10 IJEE C#Cc1cccc(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1951395432 WADKKSJMGBMRSV-RUZDIDTESA-N 425.484 4.592 30 10 IJEE C=CCN(CC(=C)Br)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 1962794038 KZMCHLXXWPWLQB-FQEVSTJZSA-N 443.341 4.577 30 10 IJEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCC1(C)C 1964760267 CBHQIJXZLHYFBI-FQEVSTJZSA-N 436.350 4.733 30 10 IJEE Cc1cc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(C#N)cc1N 1977665676 BQUANAVYGZEQJD-UHFFFAOYSA-N 442.519 4.721 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(Br)cc1Br 1992884792 CVYDALCPJUUJCR-GJZGRUSLSA-N 448.199 4.551 30 10 IJEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 1993737292 DODQKEURHZFVAL-FHWLQOOXSA-N 425.614 4.519 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1ccc(Br)c(Cl)c1F 2028857574 DQCINXTUGUWVDB-BBRMVZONSA-N 433.749 4.809 30 10 IJEE C=C(COCc1ccccc1)[C@H](NC)[C@@H](O)c1ccc(Br)c(Cl)c1F 2036851280 KTXYSXBNADYWJA-OALUTQOASA-N 428.729 4.636 30 10 IJEE CCOC(=O)c1c(C2CCC2)nn(-c2ccc(F)c(C(F)(F)F)n2)c1C(F)(F)F 2078888629 DHWRRIIFLHZREP-UHFFFAOYSA-N 425.304 4.888 30 10 IJEE COc1ccc([C@H](n2nc(C(F)(F)F)c(C=NO)c2Br)C2(C)CC2)cc1 2079885148 QCZAUHPMWOOGAI-AWEZNQCLSA-N 432.240 4.871 30 10 IJEE C=CCC1([C@@H](NC)c2cc(F)c(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2142155400 JXIYYJUCQJPCEK-INIZCTEOSA-N 431.321 4.801 30 10 IJEE CC1(C)OB(c2ccc(CN[C@@H]3CN(Cc4ccccc4)CC4(CCC4)C3)cc2)OC1(C)C 2151192487 HWPXABOLYKZDGA-VWLOTQADSA-N 446.444 4.520 30 10 IJEE CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1cc(Br)ccc1C#N 2181054530 YIAWOSALYBOTQN-INIZCTEOSA-N 438.366 4.931 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)C#Cc1ccc(Cl)cc1 2212453373 SNQZZMBMJYLUFQ-OAQYLSRUSA-N 427.928 4.761 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc([C@@H](N)C#Cc2ccccc2Br)cc1 2235730727 OYRARTSPEYKJMA-FQEVSTJZSA-N 429.358 4.568 30 10 IJEE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC(C)(C)[C@@H]1C#N 2243905732 RQSRZXAZAHJMOH-QHCPKHFHSA-N 445.563 4.844 30 10 IJEE C=CCCC1([C@@H](N)c2cc(F)c(Br)cc2F)CN(C(=O)OC(C)(C)C)C1 2266319731 FZVNEPWOJNHWFB-INIZCTEOSA-N 431.321 4.930 30 10 IJEE O=C(C#Cc1cccc(Br)c1)c1ccc(Cl)c(I)c1 2278730811 RMCCPWPZDBFONA-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE COc1ccc(C(O)=C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 2296136293 YYBVXZPROMUFEI-JTHBVZDNSA-N 449.547 4.593 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@H](CNC(=O)OC(C)(C)C)CC1CC1 2296218644 GITABNKNROJYIM-AZUAARDMSA-N 435.406 4.720 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1[C@@H](O)C#Cc1cccc(Br)c1 2296224120 HEQUJJHUOWUKHH-PMACEKPBSA-N 428.326 4.528 30 10 IJEE CC1(C)CC[C@](N)(C#Cc2ccc(Br)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 2296303227 SQOQJVOQJDTTTF-HTAPYJJXSA-N 435.406 4.849 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 2296557195 XVQVRCRYVODVRV-HSZRJFAPSA-N 444.487 4.504 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)SC1=S 2297303080 YYHVNVLKKUTGJK-UHFFFAOYSA-N 425.531 4.610 30 10 IJEE CCC[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317355016 UFSKIMNRWVXWTG-JKGDOXCYSA-N 432.370 4.798 30 10 IJEE COc1ccccc1C=C1Oc2c(ccc3c2CN(CCc2ccc(F)cc2)CO3)C1=O 2321934987 CJNZAKXKXBFHEZ-UHFFFAOYSA-N 431.463 4.845 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2CCCOc2ccc3ccccc3c2)cc1OC 2322274159 YXVGWBMQLQCFAL-UHFFFAOYSA-N 448.548 4.631 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccccc2OC)C3=O)c1 2322801192 QUAOWAJHFOWJCW-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE O=S(=O)(NN=Cc1ccc(OCCCc2ccccc2)cc1)c1ccc(Cl)cc1 2323363977 WLOIRLYETWMGTJ-UHFFFAOYSA-N 428.941 4.664 30 10 IJEE O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)OC(=Cc1ccc(F)cc1)C2=O 2323434371 ORQNMCUAELZDLP-UHFFFAOYSA-N 431.375 4.969 30 10 IJEE CCCOc1ccc(C=Nn2c(S)nnc2Cc2cccs2)cc1Br 2323556712 KSIFBFAOLRMACO-UHFFFAOYSA-N 437.388 4.653 30 10 IJEE COC(=O)c1ccc(C=CC(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1 2324762535 AUHPKEHFKPQMLL-LJQANCHMSA-N 448.500 4.504 30 10 IJEE CCCOc1c(C=Nn2c(CC)nnc2SCc2ccc(F)cc2)cccc1OC 2325584140 PXBOOGCERHVLMC-UHFFFAOYSA-N 428.533 4.952 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)Nc3cc(C)ccc3C)ccc2C1=O 2325740368 PIUYZRQFKYFQFK-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C)n2N=Cc2ccc(OC(C)(C)C)cc2)o1 2326838701 JANLIMLRNGBZTQ-UHFFFAOYSA-N 442.541 4.708 30 10 IJEE COc1ccc(OCc2nnc(SCc3ccccc3F)n2N=Cc2cccnc2)cc1 2328386461 PQEOGWIVYMCUJA-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(OC)cc2)n1N=Cc1ccc(N(C)C)cc1 2328576901 CTRYHXHDHNHWIG-UHFFFAOYSA-N 435.597 4.688 30 10 IJEE C=CCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1cc(Cl)ccc1O 2328798567 LNUOCRBGOVNKLN-UHFFFAOYSA-N 428.945 4.993 30 10 IJEE COC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc(C(C)C)cc1 2329436370 WNKRUOGVELSFKU-UHFFFAOYSA-N 436.581 4.756 30 10 IJEE CCN(CC)c1ccc(C=Nn2c(SCCCO)nnc2[C@H](C)c2ccccc2)cc1 2330133213 TXBWHXSSXXVAAB-LJQANCHMSA-N 437.613 4.633 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(CC)cc1 2330303254 UZQSBXYRZFVZJL-UHFFFAOYSA-N 428.602 4.891 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1N=Cc1ccccc1O 2331046550 RQYYSLYENWFHKG-UHFFFAOYSA-N 435.553 4.563 30 10 IJEE COc1ccc(C=Nn2c(SCc3ccc(F)cc3)nnc2-c2ccco2)c(OC)c1 2331175884 PDQFZFRYMQNPKR-UHFFFAOYSA-N 438.484 4.869 30 10 IJEE Cc1cccc(C=Nn2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccco2)c1 2331183817 QOOFSORSJPLBOR-UHFFFAOYSA-N 431.521 4.768 30 10 IJEE CC(=O)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2331273350 ISKXIUJGGYVRPD-UHFFFAOYSA-N 445.427 4.944 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1ccncc1 2331279532 KDABSOOARARPKI-UHFFFAOYSA-N 432.432 4.812 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(=O)C(C)C 2331402228 CHPAIYYHSCUVHE-UHFFFAOYSA-N 430.884 4.967 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1F 2331451361 VPSSSSLOURUXAI-UHFFFAOYSA-N 434.419 4.875 30 10 IJEE COc1cc(C=Nn2c(SCc3cccc(Cl)c3)nnc2C(C)C)cc(OC)c1O 2331708548 VQSHFEVAQIOPRY-UHFFFAOYSA-N 446.960 4.952 30 10 IJEE N[C@H](C#C[C@@H]1CC1(F)F)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2341044062 AVJKSYBYCASJAR-JQYIIUTOSA-N 449.497 4.864 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2344290354 KFERYNLPDKAVSH-CVEARBPZSA-N 429.399 4.629 30 10 IJEE CC#CCN(C[C@@H](Cc1cc(F)ccc1Br)NCCC)C(=O)OC(C)(C)C 2363128834 NDMIVSDFEROPER-GOSISDBHSA-N 441.385 4.759 30 10 IJEE C[C@@H]1CCC[C@@H]1N[C@H](C#Cc1ccc(Br)cc1)CCNC(=O)OC(C)(C)C 2367594861 RFPBSYDUKREPRQ-AHRSYUTCSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1Br)[C@@]1(C#N)C[C@H]2CC[C@H]1C[C@@]2(C)N 2381191846 NLNOLTPCVGNZJO-IALDWUNLSA-N 434.378 4.990 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1 20908356 IFKBZIIXWNQPIR-WYMPLXKRSA-N 448.474 4.699 30 10 IJEE O=[N+]([O-])c1ccc(/C(O)=N/c2nnc(-c3ccc(Cl)cc3Cl)s2)c([N+](=O)[O-])c1 27520503 ISTICGDIANTMEQ-UHFFFAOYSA-N 440.224 4.965 30 10 IJEE C=CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)C1=O 33286870 VBGKMONDAFZWEV-MOSHPQCFSA-N 439.489 4.585 30 10 IJEE COc1cc(OC)c(N2COc3ccc4c(c3C2)O/C(=C/c2ccco2)C4=O)cc1Cl 37857381 COLJLTLTHMBGGH-ODCIPOBUSA-N 439.851 4.923 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 39848419 XKWGZMKFIWFTKU-OAQYLSRUSA-N 434.879 4.522 30 10 IJEE COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1OC 41289618 DPTFDZJXANHHIR-JJFYIABZSA-N 434.419 4.987 30 10 IJEE CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(Cl)c3)S2)c1 100248443 ZSFLOYFFJLURCM-JQBIEYAESA-N 431.945 4.637 30 10 IJEE Cc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Br)cc2)cc1 102626924 GQWYFYDUNGREQR-LCPUNJGISA-N 449.304 4.779 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(OCC(C)C)cc1 169990261 GCBKDAONHWPTKO-HSZRJFAPSA-N 437.536 4.563 30 10 IJEE CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCO4)[C@@H]2c2ccncc2)cc1 170016673 CXQJVYCFCDKCAQ-QHCPKHFHSA-N 442.471 4.717 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccc(O)cc2)cc1 170131346 SIQVQBNCEGTAEN-QFIPXVFZSA-N 433.435 4.713 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)ccc2O)[C@@H]1c1ccccc1 170227835 NGYXBWVRSNQOME-HSZRJFAPSA-N 429.472 4.801 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1 170229769 YPTGWFDOBUDTFK-XXBNENTESA-N 449.547 4.750 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccc(F)cc2)cc1C 170237459 NMEUNDTUAJVHBQ-NRFANRHFSA-N 437.492 4.983 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@H]2c2ccccc2F)c(C)c1 170246762 JNWQMVCOYPMGJL-NRFANRHFSA-N 437.492 4.983 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)N(C)CCO3)=C(O)C(=O)N1C1CCCCC1 170275425 JWKVJNBTKIXTAI-DEOSSOPVSA-N 446.547 4.735 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccco2)c1 170289652 HWWPLZYDHJAAPG-HSZRJFAPSA-N 442.471 4.969 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1sccc1C 170316528 MNVHRFGWOFBBAC-HXUWFJFHSA-N 448.544 4.855 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccncc1)c1ccccc1 170417723 IJINOTWTKFOCMW-FQEVSTJZSA-N 438.405 4.879 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)C(C)(C)C)[C@H]1c1ccc(OCc2ccccc2C)cc1 170438681 IFCIEUWRIFRQKK-JOCHJYFZSA-N 437.536 4.531 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3cc(Cl)c(F)cc3s2)[C@H]1c1cccnc1 170481701 YHUISMXQYNILPE-INIZCTEOSA-N 445.903 4.999 30 10 IJEE C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)c1ccc(OC)cc1 220747374 SGHZRTPZQGLDSD-ZJSXRUAMSA-N 433.529 4.734 30 10 IJEE Cc1ccc(-n2c(NN=Cc3ccc(N(C)C)cc3)nc3sc4c(c3c2=O)CCC4)cc1 252612908 IWYZOESNLGLSIM-UHFFFAOYSA-N 443.576 4.756 30 10 IJEE S=c1[nH]nc(-c2ccncc2)n1N=Cc1cn(-c2ccccc2)nc1-c1cccs1 254444379 HPPOJAVNGWJHQO-UHFFFAOYSA-N 429.534 4.799 30 10 IJEE N#CCC[C@@H](NC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 438865072 FJXLZYNKURLXGM-IFMALSPDSA-N 436.943 4.842 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCc2ccc(F)c(F)c2C1 460390181 RSENBYGRQBMYFI-UHFFFAOYSA-N 440.494 4.673 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 460944016 CKNZHGUQBHFAIB-JOCHJYFZSA-N 448.567 4.812 30 10 IJEE Cc1c(C#N)c(NC(=O)CCN2CCCC[C@H]2c2cccn2C)n(Cc2ccco2)c1C 472318403 RZZPOLRAGKQGOU-QHCPKHFHSA-N 433.556 4.512 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 474175544 KQMKGJXPDSPYCS-FUHWJXTLSA-N 439.396 4.853 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1cc(F)c(C)cc1F 489656061 GCVKEZOIZMKOTR-UHFFFAOYSA-N 429.492 4.913 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC(OCC(C)C)CC1 508498690 UNSZBAQHJSGRSS-UHFFFAOYSA-N 425.396 4.597 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 535114303 AVZJKBHSKIWFPA-RTWAWAEBSA-N 446.910 4.530 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 574782558 LDMBFLIEJOVVPX-QGZVFWFLSA-N 441.377 4.630 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 576721239 WBNAHNBDTUAOKK-IBGZPJMESA-N 427.936 4.575 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](NC(=O)COc3ccc(C)cc3)C2)c1 586009149 VUVJCJVORXHOEP-QHCPKHFHSA-N 449.595 4.632 30 10 IJEE N#Cc1ccc(CNC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)c(F)c1 609229317 FAAHZMZQPFAOOM-NRFANRHFSA-N 439.284 4.896 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H](C#N)c1cccc(I)c1 698854575 LYUZGGFEJOUXSF-LBPRGKRZSA-N 440.203 4.655 30 10 IJEE N#C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)CCN1C1CC1 732649616 LUDFPWONYMFWMX-YEMUAQJGSA-N 434.543 4.534 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\[C@@H](C)c1cccs1 733200716 KCFDIHQLDVHMCB-UGJGZBLJSA-N 439.606 4.778 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)SC1=Nc1cccc(Cl)c1 733202116 NVTRTFXDZSABIU-SFHVURJKSA-N 447.894 4.602 30 10 IJEE COc1ccc(CNC(=O)C(=O)Nc2ccc(SC3CCCCC3)cc2C)cc1C#N 747499124 WGXFDZXKHJBWKZ-UHFFFAOYSA-N 437.565 4.555 30 10 IJEE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1cccc2ccccc12 759230632 GNNNVWMCTODHDC-PCCBWWKXSA-N 428.488 4.657 30 10 IJEE C#C[C@H](NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1)c1ccc(F)cc1 812748678 XVBNBHGISNFFLY-IBGZPJMESA-N 443.272 4.568 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(C=NNC(=S)Nc2ccc(F)cc2)cs1 917533392 JFDWGZCOAPVCPW-UHFFFAOYSA-N 447.948 4.941 30 10 IJEE Cc1ccc(C)c(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Cl)cc3Cl)n2)c1 1084001904 KSDXNNQSSOOMPI-UHFFFAOYSA-N 449.367 4.905 30 10 IJEE COc1ccc(C=NNc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)cc1OC 1084381242 HOWNINPBZOUVBE-UHFFFAOYSA-N 438.340 4.867 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)c1ccc(F)cc1 1129603356 UBYVJFWBUQRCMI-XNOGGZAYSA-N 448.582 4.806 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1 1129703029 WRSXUORXIQWCCS-UHFFFAOYSA-N 439.350 4.742 30 10 IJEE C=C[C@@H](CC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)c1ccccc1 1136601947 OSTWAVLTRBYCSZ-IBGZPJMESA-N 435.568 4.953 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 1142255582 ZDDUUXYYYVMRRE-KRWDZBQOSA-N 439.940 4.866 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F 1153365330 ZVSQFSBPKSQVNK-BBRMVZONSA-N 430.467 4.854 30 10 IJEE C=C[C@H](O)C(=O)NCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 1155585180 KUDHYUNPWOSDEI-HNNXBMFYSA-N 431.113 4.711 30 10 IJEE C=CCN(CCOc1ccc(/C=C/C(=O)OC)cc1)Cc1cc(Br)ccc1F 1167291182 IFPNAEJBWVMBNE-IZZDOVSWSA-N 448.332 4.841 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](C)N(Cc3ccccc3)CC2)n(C2CCCC2)c1C 1167521405 BPIVQUAIIYOLGE-FQEVSTJZSA-N 447.627 4.627 30 10 IJEE CCCc1c(NCc2cnc3ccc(Br)cn23)cnn1-c1cccc(C#N)c1 1178518842 BKIQOBZUPRXRBV-UHFFFAOYSA-N 435.329 4.719 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 1194067130 XDTUCHZGXIGARL-NRFANRHFSA-N 443.469 4.952 30 10 IJEE C=CCc1cc(CNC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)cc(OC)c1O 1202367316 ZGGNEIUBCAGRQH-QFIPXVFZSA-N 438.568 4.753 30 10 IJEE C#C[C@H](NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)c1ccc(Cl)cc1 1206090911 CJJXLBWLMQWPJN-NQIIRXRSSA-N 428.960 4.955 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1c(F)c(F)cc(F)c1F 1206194596 MGPIUCLYSBXIHC-UHFFFAOYSA-N 433.199 4.892 30 10 IJEE CC1(C)[C@H](NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)[C@H]2CCO[C@H]21 1206776965 APYKCUWBOUCXNL-JHJVBQTASA-N 428.348 4.911 30 10 IJEE C=C[C@H](C)ONC(=O)Nc1nc2c(Br)cc(OC(F)(F)F)cc2s1 1216075439 KWAANZIONQDARF-LURJTMIESA-N 426.214 4.585 30 10 IJEE CC1(c2ccccc2)CCC(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 1223781878 DLQLGEGUKPGOEZ-UHFFFAOYSA-N 436.987 4.944 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(Br)c2Cl)c1 1227996739 GAQUFOOCBQMLRT-OAHLLOKOSA-N 436.737 4.783 30 10 IJEE C#CC[C@H](NC(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)c1ccccc1 1230566219 QDSIUWUASXYMBA-NRFANRHFSA-N 427.589 4.724 30 10 IJEE CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)CC(=O)OC(C)(C)C 1231368428 FWDLLMPIAMEMCP-KSEOMHKRSA-N 427.589 4.862 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 1246899508 QPJJUEFRIZYHNT-DVECYGJZSA-N 448.567 4.688 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)cc1OC 1264513622 DREGTPTZQKCLTA-OCOPJHETSA-N 446.341 4.922 30 10 IJEE C=CCOc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1 1265465055 QTMFSIYSJCSXKK-UHFFFAOYSA-N 449.528 4.612 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286318111 XRQNPMDITNQBJZ-FXAWDEMLSA-N 445.405 4.681 30 10 IJEE C#CCSCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CC[C@H](C)[C@H]1C 1286498999 HHIWJBHHGBJROM-VQTJNVASSA-N 426.630 4.971 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CC1(OC)CCC(C)CC1 1286527752 QKXWSNQPTHJJBP-DKEBNAFJSA-N 436.600 4.753 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSCC1 1286549066 CZLWEZZUUBAMIP-RDTXWAMCSA-N 439.412 4.786 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](CCOC)C1 1286603060 KQZKAOJDFXHWGV-INIZCTEOSA-N 439.387 4.707 30 10 IJEE C=CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)CC1)c1ccccc1 1286678321 VFCXYXDIQBJGFV-OAQYLSRUSA-N 430.556 4.522 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cc(COC(C)(C)C)on1 1286713870 JQOWAHVXXZLSNA-MRXNPFEDSA-N 443.523 4.531 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H](C)C1 1286746883 HGJQEVSBJFOUFC-VQTJNVASSA-N 435.547 4.795 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1COC 1286749793 ZBJMILAPJCMGLJ-OAQYLSRUSA-N 438.597 4.621 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCNc1ncc(Cl)cc1Cl 1286756172 HWXUOJNGEYBYAR-UHFFFAOYSA-N 444.370 4.641 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C2CC2)C1 1286825081 GHYCCDYFFNBZSI-KRWDZBQOSA-N 433.419 4.863 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2[C@H]3CC[C@H]2CC(c2cnn(C)c2)C3)s1 1288237018 NDFSPRXPXJROFA-IRXDYDNUSA-N 437.034 4.509 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccn1 1290510075 HWRIQHTWBNDOGN-QHCPKHFHSA-N 427.504 4.894 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C1 1297859668 GEQQZNVVZXVINP-NHCUHLMSSA-N 440.661 4.515 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1300275254 RZQZKJKNRUKEHH-MLHJIOFPSA-N 430.980 4.733 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1sccc1C 1300285857 AOMJHEKNNTWRRH-CQSZACIVSA-N 445.386 4.592 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCCN(C(C)C)C(C)C 1300813963 WYXQUOYWKBJGQS-HHHXNRCGSA-N 446.643 4.782 30 10 IJEE C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1C2CCC1(C)CC2 1300858289 MUFCOVJPSCWDPM-UHFFFAOYSA-N 437.769 4.940 30 10 IJEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(Cc1ccco1)Cc1cccs1 1300863264 MMKONWAWAAPNFV-QGZVFWFLSA-N 449.374 4.900 30 10 IJEE C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC[C@@H](C(=O)OC)C1 1300937273 MYIVDTUKVPFNKU-QGZVFWFLSA-N 440.544 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)(COC)CC1 1301143759 QSZLUSHLYFWSQB-UHFFFAOYSA-N 427.549 4.709 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1301152178 VVLOMIQQUKCQLF-IBGZPJMESA-N 433.641 4.820 30 10 IJEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1301189438 WJSWIDCGRPGRDL-UHFFFAOYSA-N 429.634 4.555 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(-n2ccnc2C)nc1 1301379769 SLFRDEZUXQPRTA-UHFFFAOYSA-N 445.958 4.714 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@H]1CCCCO1 1301436149 QMFHYMVLOZZQIF-CQSZACIVSA-N 425.758 4.552 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCCC[C@@H](SCC)C2)cc1 1301525176 HVIWMOIBDWIPGW-RBBKRZOGSA-N 442.629 4.507 30 10 IJEE CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCCC1)C1CCCC1 1303147866 BKEDSBUUVQJHHL-OAQYLSRUSA-N 434.632 4.954 30 10 IJEE C=CCn1cc(CNCc2ccccc2Oc2ccc(Cl)cc2Br)nn1 1308442795 UXFIPCTWPTYINP-UHFFFAOYSA-N 433.737 4.962 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2c(F)cc(F)cc2F)c1 1309006954 IYWUVKGUJPAUFN-UHFFFAOYSA-N 448.418 4.667 30 10 IJEE C#C[C@H](NC(=O)Nc1cc(Br)c(F)cc1OC)c1ccc(Cl)cc1F 1310898778 DOLISGSDZFNFBS-AWEZNQCLSA-N 429.648 4.885 30 10 IJEE C#C[C@@H](NC(=O)N[C@@H](C)COc1ccccc1C(F)(F)F)c1ccc(Cl)cc1F 1311711924 HCLFMEXYVSHJIJ-YVEFUNNKSA-N 428.813 4.939 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)C1 1325262107 KFKXGSOERNTCMW-LLVKDONJSA-N 445.397 4.946 30 10 IJEE Cc1cc(C)c2c(c1)CCN(C(=O)Nc1nnc(SCc3ccc(C#N)cc3)s1)C2 1345075208 QWRZSDGDHSVACK-UHFFFAOYSA-N 435.578 4.909 30 10 IJEE C=C1CCC(C(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2OC)CC1 1348210916 MPFBMGPMCSNZSN-UHFFFAOYSA-N 428.554 4.595 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1ccc(F)c(C#N)c1)c1ccc2c(c1)OCCO2 1350584313 VNFVATVUVVAMEI-UHFFFAOYSA-N 444.462 4.880 30 10 IJEE N#CCOc1cccc(NC(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)c1 1355460323 BNTZCOHGGJDPIJ-UHFFFAOYSA-N 434.805 4.758 30 10 IJEE COC(=O)COc1c(C)cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C 1355655321 BBNKZHRGSYCDNE-UHFFFAOYSA-N 430.460 4.772 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCCCN1CC 1358881439 GILRCBGAJWYVDT-GGAORHGYSA-N 437.632 4.702 30 10 IJEE C#CCCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 1358911259 ORZGTVZBDKRMFA-HXUWFJFHSA-N 430.499 4.528 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359102220 YMWIXMWHUBGHNQ-WBQJQJEBSA-N 436.572 4.639 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCc2ccccc2C1 1359110111 ANJLTTVUCMSSGJ-UHFFFAOYSA-N 432.616 4.523 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC[C@](C)(CC)O1 1359111215 SEMOERKFHLAPSN-RDGATRHJSA-N 434.588 4.881 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1359114354 ITIUTKVYCFGFAQ-HXUWFJFHSA-N 441.620 4.835 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2Cc2ccc(C#N)o2)CC1 1359176164 NYTZJNNSSWDNQY-UHFFFAOYSA-N 447.539 4.658 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359179707 CPUACHJYIGZNKG-SANMLTNESA-N 434.584 4.697 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](N2CCCCC2)C1 1359212481 NFCALEUNXORJMI-SFHVURJKSA-N 444.421 4.738 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC(F)(F)C1 1359256594 KEXLOPVCSXXQGL-JOCHJYFZSA-N 448.521 4.764 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)c1 1360164124 PCPDRHOCPVJWQH-IBGZPJMESA-N 448.441 4.922 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 1434998897 XCWPPYKBLGKQMW-ZWKOTPCHSA-N 433.277 4.815 30 10 IJEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cscc2C(F)(F)F)nc1C 1443504161 ARFIDJAVTRTGNA-UHFFFAOYSA-N 431.490 4.517 30 10 IJEE CC(C)n1ncc(C(O)(C(F)(F)F)C(F)(F)F)c1NC(=O)c1ccc(Cl)cc1F 1453839299 HCQMJEHVJAYRBU-UHFFFAOYSA-N 447.738 4.821 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N([C@H](C)COC)[C@@H]1CCc2ccccc21 1454478671 YAUSJMHTMJPBCD-LSTHTHJFSA-N 436.980 4.573 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1cc(Cl)nc([C@@H]2CCCO2)n1 1458081265 ZHFOKHNHVBAJQV-HNNXBMFYSA-N 447.923 4.628 30 10 IJEE COC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1c1ccc(F)cc1F 1460275198 IFCOZHFSHKBMML-BJKOFHAPSA-N 432.470 4.892 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@]1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C1 1460844135 LQDKUUTWIGASHQ-YIXXDRMTSA-N 434.580 4.869 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(Br)cc1Br)C(C)C 1464867358 AYJOVEKFCLLWNL-KRWDZBQOSA-N 444.211 4.640 30 10 IJEE C=CCOc1ccc(CNC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 1465321729 MXOJELYYALLNJY-UHFFFAOYSA-N 433.483 4.642 30 10 IJEE C[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCN1CC(F)(F)F 1466568996 BEEOAJGGVLWVMS-HNNXBMFYSA-N 434.487 4.810 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1cc(Cl)ccc1OC 1469221598 JZEBVNASXZSLND-OAHLLOKOSA-N 431.360 4.736 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 1470490549 JTJAWBXVNNVQGO-NRFANRHFSA-N 446.551 4.822 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)c1ccc(Br)cc1 1470662441 FHGLMSNPPVCTGF-BEFAXECRSA-N 446.776 4.603 30 10 IJEE C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1)CC1CCCCC1 1473162521 FTNSJZVATCESQY-UHFFFAOYSA-N 435.568 4.954 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1Cl 1475114394 GMKCSXNQYCIEDR-UHFFFAOYSA-N 427.378 4.810 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 1478965947 RIFHAZZWRUWARA-PMACEKPBSA-N 430.593 4.584 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(Oc2cccc(F)c2)nc1 1507543894 YWNKIKAVLUARNZ-SFHVURJKSA-N 433.531 4.843 30 10 IJEE C#CCCCCn1c(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1507576355 XYEGYDAHLZTZLO-SFHVURJKSA-N 431.625 4.509 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](C)N1CCC[C@H](C)C1 1507681507 YHGFHDOVXQRPCU-PMACEKPBSA-N 439.673 4.855 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCSCC=C 1507763252 SNQBSRLVBOTUEW-XMMPIXPASA-N 440.613 4.652 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCC2(CCOCC2)C1 1507838823 YQPJRKFZUNTCIE-UHFFFAOYSA-N 448.970 4.727 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)c2ncc(C)s2)CC1 1507878153 JDQLGVGJULXMIE-INIZCTEOSA-N 439.585 4.687 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1Cc2ccccc2O[C@H](C)C1 1507910390 QDVPDDFPHSSVMH-GOSISDBHSA-N 439.604 4.586 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)C)CC1 1507927253 ZTOKKLIOSLTGOH-FQEVSTJZSA-N 429.584 4.834 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1C1(c2ccccc2)CCC1 1507937806 UNFXTQYCXYQZBT-HSZRJFAPSA-N 449.643 4.845 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCSC[C@@H]1C 1507960116 WEAXQDONAHTRFR-KRWDZBQOSA-N 432.659 4.810 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)N(C)C 1508008055 BAVHBWYZRFKFCQ-MRXNPFEDSA-N 446.020 4.811 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(OC)c(F)c1 1508011718 LHGLLAFIKOCJKO-UHFFFAOYSA-N 427.911 4.562 30 10 IJEE C=CCc1ccc(OCC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c(OC)c1 1514586926 UFDUMFZHXSOZTC-UHFFFAOYSA-N 442.559 4.682 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1OCc1ccc(Br)cc1 1519750459 SIITUTXHXQBEGX-DYESRHJHSA-N 430.342 4.739 30 10 IJEE C[C@H](NC(=O)c1cccc(S(=O)(=O)C(F)F)c1)c1ccc(-c2cccc(C#N)c2)cc1 1522149411 AYTGMGMTMPHCRS-HNNXBMFYSA-N 440.471 4.713 30 10 IJEE C#CC[C@]1(C(=O)NCCCc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1524741740 CLUIIKCAVQTPIG-JOCHJYFZSA-N 439.383 4.835 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[C@@H](C)C2)c1 1525000477 HVLAVIWSAWEFAA-MSOLQXFVSA-N 447.000 4.887 30 10 IJEE C=CC[S@@](=O)(=NC(=O)[C@H](C)c1ccc(I)cc1)c1ccccc1 1537453314 WDRPXXWIBXBXPW-FATZIPQQSA-N 439.318 4.634 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCCC1(C)C 1538985113 WJOVIBUOXWGDHN-MZNJEOGPSA-N 426.630 4.675 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](OC)C(C)(C)C1 1539079068 OGFNLEUDUCIVGL-QHCPKHFHSA-N 438.616 4.954 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)cc1 1539198173 SOKGOXIHVJHKRV-ILWGZMRPSA-N 440.337 4.983 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1cc(C)cc(OC)c1 1539244989 AATHFIJQMGQXTG-SFHVURJKSA-N 444.604 4.570 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H]2CCC[C@@H]21 1539498991 AGANJLPOOXRMNP-APWZRJJASA-N 445.430 4.761 30 10 IJEE C#CCSCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](CC)C1 1539527263 ZIBMVTVCRZMRFJ-LJQANCHMSA-N 426.630 4.757 30 10 IJEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1539651684 IZJSODOCJXNGBR-WATLYSKOSA-N 448.652 4.562 30 10 IJEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 1539842561 MVEZHTSXWUOGPG-UHFFFAOYSA-N 446.555 4.892 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1539946562 CAPHNTJZCPEKRP-SFTDATJTSA-N 439.604 4.646 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1)c1ccccc1 1539947594 LCMSTTSKHTXBQE-XMMPIXPASA-N 426.568 4.754 30 10 IJEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1539967001 CESKPPPSVZCKEC-QFIPXVFZSA-N 425.596 4.677 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCC[C@H]1C)C1CC1 1540116171 NTSWWOJLMUTMLK-ZHRRBRCNSA-N 433.021 4.930 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CCc1sc(C)nc1C)C1CC1 1540116200 OWKMDGXDAXUWKS-UHFFFAOYSA-N 444.004 4.981 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1CC[C@H]1CCO[C@H](C)C1 1540134534 TZXNLZYLMPHBIT-UXHICEINSA-N 435.547 4.877 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1CC1(c2ccc(F)cc2)CCOCC1 1540146342 DHWOHRHMXHCJSO-UHFFFAOYSA-N 440.588 4.982 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1540185002 JIYOGNWQXBRIOS-WIYYLYMNSA-N 440.975 4.978 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCC(F)(F)C2)C1 1540889607 QCICOWMPJJSOGN-OALUTQOASA-N 431.531 4.645 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCOc2ccc(F)c(Cl)c2)C1 1540892698 QIZVIFGBZLXCLU-KRWDZBQOSA-N 436.959 4.520 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCOC(C)(C)C 1540910951 KWLKRZMQMKRBLJ-UHFFFAOYSA-N 426.989 4.908 30 10 IJEE C=CC1(CC(=O)Nc2ncc(Cc3cccc(F)c3)s2)CN(C(=O)OC(C)(C)C)C1 1544596872 LGOAXXLVNUWBGW-UHFFFAOYSA-N 431.533 4.625 30 10 IJEE C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C 1546069073 CRUMIDWJNNQQRI-OXJNMPFZSA-N 449.507 4.798 30 10 IJEE CCC[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1547304979 DABMTUHAQZFFPW-NMIHRBCNSA-N 437.588 4.730 30 10 IJEE C=CC[C@@]1(C(=O)Nc2n[nH]c(-c3ccccc3OC)c2C)CCCN1C(=O)OC(C)(C)C 1558797085 LUHKWBDPVQRYPU-DEOSSOPVSA-N 440.544 4.678 30 10 IJEE C[C@@H](NC(=O)COc1cc(C#N)ccc1Br)c1ccc(Cl)c(Cl)c1 1559451113 CSGUYDLLOSVSDE-SNVBAGLBSA-N 428.113 4.884 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 1562528281 FBYTWWKQGRXVCZ-MOPGFXCFSA-N 439.581 4.815 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 1567263948 MZXPUKPHRZJGMP-MBSDFSHPSA-N 448.563 4.600 30 10 IJEE C#C[C@H](NC(=O)c1cccnc1OCc1ccccc1F)c1ccc(Br)cc1 1583565846 MHNDOBVTPLVDNX-FQEVSTJZSA-N 439.284 4.667 30 10 IJEE C[C@H](NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)c1ccc(-c2cccc(C#N)c2)cc1 1584715935 CKUWANUHRSLLAV-WNSKOXEYSA-N 431.442 4.874 30 10 IJEE C=CCN(C(=O)[C@@H](c1ccncc1)C1CCCCC1)[C@H](Cc1ccccc1)C(=O)OCC 1585020185 HPAHEAXTMXSLTA-JWQCQUIFSA-N 434.580 4.935 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H]1CCCCO1 1587567907 LKQSHNRTXCOMJB-WMZHIEFXSA-N 431.584 4.770 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN(CC)C(C)C 1587940272 QGTKSARHMFCFJS-UHFFFAOYSA-N 425.577 4.612 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](C)N(C)C 1589150916 NUYFJTKFUNTJMD-YDIMBITNSA-N 444.023 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1589242500 BTYVUOATHMYFTJ-UXGLMHHASA-N 436.600 4.670 30 10 IJEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1594687237 JKQIKBUVOWGSJS-PMACEKPBSA-N 440.588 4.572 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H]1CCC[C@@H](O)C1 1594855355 BNBRQZRFMCGWOB-CMKODMSKSA-N 432.996 4.862 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC(F)(F)C1)C1CC1 1595027149 YSYITTPSKHWUTE-CYBMUJFWSA-N 440.336 4.636 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1595648836 IZIQRUVWNSFZOQ-AREMUKBSSA-N 447.583 4.595 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1Cc1ccccc1Cl 1597602471 XJXLGVSXQODUBL-WMZOPIPTSA-N 427.372 4.909 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(N(C)C)CCCCC1 1611728567 CGQRJDPEDWWDDZ-RBUKOAKNSA-N 442.583 4.560 30 10 IJEE COc1ccccc1/C=C1/S/C(=N/N=C/c2ccccc2F)N(Cc2ccco2)C1=O 1615304510 CGLFVFTXMWLSFL-IBTWPMPSSA-N 435.480 4.934 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 1623847737 NUNWAOBPSMXWGW-FQEVSTJZSA-N 435.355 4.869 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3CC)cc1 1623891375 SQBSLBIQCGPKLU-UHFFFAOYSA-N 446.536 4.740 30 10 IJEE C=C[C@@H](CC(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1626104043 JJHQASWXOUYFPE-SIKLNZKXSA-N 436.508 4.883 30 10 IJEE C=CC[S@@](=O)(=NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccccc1 1627429610 FYJQEMBDCJJYFK-PMERELPUSA-N 436.562 4.703 30 10 IJEE C#CCN(CC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)OC(C)(C)C 1629155537 QACZFMGAJGMCSX-UHFFFAOYSA-N 428.916 4.728 30 10 IJEE CC1CCN([C@@H](CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c2ccccc2)CC1 1629951519 GVPDHUDVACKRGJ-SANMLTNESA-N 430.596 4.920 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[C@H]3C)ccc2c1=O 1633581089 BJFWEYPXTRMNKY-ORPRQENYSA-N 439.968 4.652 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(Cc3nccs3)CC2)s1 1635094928 AFYDEYABNVDPMB-UHFFFAOYSA-N 428.048 4.776 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCOC1(C)C 1635827503 MXPLTNTXVBHAJZ-BJKOFHAPSA-N 448.563 4.544 30 10 IJEE C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 1640644637 IMHCCOCYBOKGHM-IBGZPJMESA-N 435.593 4.908 30 10 IJEE Cc1cc(NC[C@@H](CO)Cc2cccc(Br)c2)n2c(nc3ccccc32)c1C#N 1642562374 BXVIDJDENBSNKU-KRWDZBQOSA-N 449.352 4.693 30 10 IJEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1OC)CCCC2)C(C)(C)C 1648369104 DNWHOYQWZNFFFG-UHFFFAOYSA-N 438.593 4.539 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1649385800 XEAKWZKOEUVWPJ-DNQXCXABSA-N 432.564 4.805 30 10 IJEE C=CCOc1c(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1OC 1651861407 YSDFWUKDOHHPML-MSOLQXFVSA-N 436.980 4.887 30 10 IJEE C#CCN(CC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1)CC(=O)OC(C)(C)C 1654152541 PPRMUSGBHKYZAM-UHFFFAOYSA-N 438.593 4.670 30 10 IJEE C#Cc1cccc(NC(=O)N[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)c1 1657678431 URIRKXNBSIGXBX-QFQXNSOFSA-N 447.535 4.693 30 10 IJEE C#CCN(C(=O)Nc1ccc(OCCC)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1658532377 IFQUCFQNKUMGER-UHFFFAOYSA-N 429.561 4.650 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2cc(F)c(Br)cc2C1 1660324550 YCUYBJBTVHMOIE-CQSZACIVSA-N 437.378 4.611 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccsc1C(=O)OC)c1ccc(C(F)(F)F)cc1 1661029033 QACFUKXACBJARQ-CQSZACIVSA-N 433.473 4.539 30 10 IJEE C=CCOc1cccc(NC(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)c1 1666343189 VQHQQHOOGXVBPJ-QGZVFWFLSA-N 444.373 4.925 30 10 IJEE C=CCC[C@@H]1CCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 1666534976 WVCOFRKUIOVHHE-UODIDJSMSA-N 438.637 4.723 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2cccc(F)c2)C2CCCC2)cc1 1667957035 VINWKPWFEOUSIC-UHFFFAOYSA-N 445.560 4.609 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](c1cc(OC)c(OC)c(OC)c1)C(F)(F)F 1670415846 WBPQPLVRLCEIQG-ZXYWRSMDSA-N 430.467 4.750 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCCCN1C[C@H](C)C[C@@H](C)C1 1678351241 CZBNZWNYPLNXMQ-IAGOWNOFSA-N 438.410 4.894 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc2c(c1)C[C@H](C)O2 1685049180 SPWSATWXASGHKA-AWEZNQCLSA-N 433.321 4.809 30 10 IJEE C=CC[C@@H]1CCCN(C(=O)N[C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)C1 1685055718 IYXYMZHPMJAAAW-HYBUGGRVSA-N 440.609 4.740 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(C)cc1OC 1689835680 QRCJZLAWGNFRCG-WMZOPIPTSA-N 434.609 4.955 30 10 IJEE C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1689880054 PUGHEWZGVVRVBG-UHFFFAOYSA-N 449.555 4.552 30 10 IJEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1689939761 BVRATAOMLONNKI-JOCHJYFZSA-N 437.657 4.604 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1690214679 RVDHZRCFFYCUPN-QFZRFWILSA-N 436.625 4.852 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2Cl)C1 1690237164 WETSBPHSGWBHLP-NDXORKPFSA-N 448.970 4.753 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@](C)(OC)C1CC1)C1CC1 1690539744 KVSBLPDMGQLKJD-NRFANRHFSA-N 431.378 4.678 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCCCC2)C1 1690690465 ZETNGPGMIVXSRT-QHCPKHFHSA-N 437.632 4.510 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 1690747086 SHCKZLGMJXAZFD-LJQANCHMSA-N 442.629 4.899 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2Cc2cc(Br)cs2)C1 1692842677 DSFHICHKXQNXCE-FQEVSTJZSA-N 442.386 4.947 30 10 IJEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H](C)CC#N 1697645325 DYNOTYSZGBZPAP-WOIUINJBSA-N 449.555 4.671 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCN(CC(C)C)C1 1705484484 POULZAGZALTDBD-QZTJIDSGSA-N 431.987 4.564 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705510847 ZTRCGTBBRAIAQS-PZJWPPBQSA-N 447.549 4.696 30 10 IJEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC(C)C)C1CCCC1)c1ccccc1 1705797415 WAYBAEOXDLWNEP-GMAHTHKFSA-N 435.616 4.994 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H]1CCCOC1 1705803044 CRILADBWXIPDGM-KRWDZBQOSA-N 433.394 4.927 30 10 IJEE C=CCCCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705803163 HPGZTPVOGPWSSK-CTNGQTDRSA-N 439.604 4.959 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC1CC(F)C1 1705806576 HSWCFYLSTJTRGL-UHFFFAOYSA-N 449.615 4.933 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1N(C)CCCC1(C)C 1705877134 WNUCOEQNJAUIOS-QHCPKHFHSA-N 437.632 4.773 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C2CCCCC2)N(C)C)C1 1705918165 DLJZILXKKHZDST-ISKFKSNPSA-N 437.632 4.545 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCCC2(CCOCC2)C1 1705940375 CTRJMVPCBOMVFG-UHFFFAOYSA-N 433.021 4.915 30 10 IJEE CC(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCSC2)CC1 1706343158 GZYRTEUMLRXJCG-FQEVSTJZSA-N 439.629 4.744 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC1CC(F)(F)C1 1722277801 AZQHAVQMPHVNPX-NSHDSACASA-N 443.723 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCC[C@H]1CCCCO1 1722278675 QHTXAYVPRUTHPG-CMKODMSKSA-N 430.980 4.879 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N(C)Cc1csc(Br)c1 1722493287 XTEJIWRFKHHIGR-NVXWUHKLSA-N 439.423 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](OC)C(C)(C)C 1722498037 LUNZBMKTZIXIHT-AUSIDOKSSA-N 430.980 4.564 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCN1CC 1722507093 XQTMKZWYCMCIIT-FQEVSTJZSA-N 446.437 4.984 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(CCC)CCc1cccs1 1722507966 QOWZULCIBXNASW-KNQAVFIVSA-N 439.629 4.785 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1c(F)cccc1Cl 1722510303 SYVRULBXEMCXDH-FIKGOQFSSA-N 448.970 4.582 30 10 IJEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1722597843 SVEOUHICLUVACN-FPOVZHCZSA-N 442.629 4.721 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722602100 POZUJFLPHWYEKY-IUKKYPGJSA-N 430.980 4.728 30 10 IJEE C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OC(C)(C)C)CC1 1722613244 BUFXQZJJKDPAFV-UHFFFAOYSA-N 434.588 4.881 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1C(C)(C)C)C(C)C 1722667150 UNXFSRJERKTATF-RLWLMLJZSA-N 445.696 4.916 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1722683796 VTNFLUIYDSMZFF-NHYWBVRUSA-N 448.217 4.975 30 10 IJEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1 1722706534 VESVNWATUOREGA-IBGZPJMESA-N 443.473 4.732 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCSc2ccc(C)cc2)C1 1722721998 XXJIIHPNHCPASW-NRFANRHFSA-N 426.630 4.893 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H]1CCSC1 1722733657 HPYHWRKKIAXGNK-INIZCTEOSA-N 439.448 4.569 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1722739835 XPWHPNBNNCOOFP-UHFFFAOYSA-N 446.646 4.523 30 10 IJEE CC(C)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC(C)(C)C)nc1 1723382471 DDZHHGXXNLUKMB-UHFFFAOYSA-N 432.572 4.920 30 10 IJEE CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CCOCC1 1731059983 AGUNPTCFXWEWHL-GHTZIAJQSA-N 439.629 4.744 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCCc2cccnc21 1740599465 BCRUUIXXBGBEJP-RBBKRZOGSA-N 429.568 4.619 30 10 IJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1740783212 XLJDWQNOEQJKEU-QUCCMNQESA-N 444.023 4.620 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1740789954 UALBCXVVHLLPOO-NRFANRHFSA-N 426.605 4.697 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1740814928 IHMRCUFXBNYMDV-APWZRJJASA-N 441.790 4.938 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OCCC)nc2)CC1 1740827924 PBBSLHDRCCQNCG-UHFFFAOYSA-N 447.583 4.862 30 10 IJEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 1740834421 WDEZFBISXMRHMY-IYARVYRRSA-N 427.980 4.591 30 10 IJEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740866504 GDRSOAVXXXQPCC-MDNUFGMLSA-N 443.680 4.864 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1Cc1sc(C)nc1C)C1CC1 1740908068 JRZRNGGHMIFNFK-UHFFFAOYSA-N 444.402 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1Cc1c(C)coc1C 1740920226 IZBRZBIKKDXKAE-UHFFFAOYSA-N 431.515 4.854 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCO[C@H]1CCCC[C@H]1C 1748775298 IFEIYQQJYAWOJO-NSHGMRRFSA-N 426.630 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(Cl)cc2)n1CC1(SC)CCC1 1749078847 RDFPGGYHJFJPRA-OAQYLSRUSA-N 431.005 4.788 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1749269318 PUGLJBNCJLDICP-LJQANCHMSA-N 448.970 4.614 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[C@@H]21 1749376892 IMYYQVJNUZUMLC-QYZOEREBSA-N 429.609 4.941 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@H]1CCSC1(C)C 1749531235 IGTXQDMHNXMFHW-NRFANRHFSA-N 444.608 4.936 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CCN1CCCC[C@@H]1CC 1749544202 CWJDAUANAGTDJO-JTHBVZDNSA-N 441.595 4.726 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2COc3ccccc3O2)n1CC(F)(F)F 1749554202 QWRYAVFIHIUOHQ-KRWDZBQOSA-N 436.459 4.607 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H]2CCC[C@@H]21)C(C)C 1749556935 CMZZPHBCHBUMQF-KAOXLYBCSA-N 427.637 4.597 30 10 IJEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCSC1(C)C 1749597383 DXZZGUIUNAXVNC-KRWDZBQOSA-N 425.602 4.597 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)cc1 1749684042 ODPLKMYXNYJCDP-SFHVURJKSA-N 443.473 4.732 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H]2CCO[C@@H](C)C2)C1 1749700607 LRIJTTBJNSBZLN-JENIJYKNSA-N 448.970 4.724 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCC1CC(OCC)C1 1760103854 NDIQBTUVXJSXII-VWYCLODISA-N 426.630 4.795 30 10 IJEE C#CCSCCn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)cc1 1760280047 HGQVPXNTTBBDDU-UHFFFAOYSA-N 433.419 4.701 30 10 IJEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760283632 VLOGKLHRNQHRAP-OAQYLSRUSA-N 437.638 4.536 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1760323512 DAOHCEFQUPXSGQ-OHCHIEETSA-N 430.637 4.633 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]1C(C)C 1760351132 ACBLUAXWCWWHPI-IBGZPJMESA-N 433.394 4.925 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)c2nc(C)cs2)CC1 1760385139 NSEFZIICCDDMJE-INIZCTEOSA-N 439.585 4.687 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760386040 IINDYBOKFKFHFL-IIBYNOLFSA-N 433.394 4.661 30 10 IJEE C=CC1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 1760397109 MUCXQFCAJIWQMS-NRFANRHFSA-N 439.604 4.747 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCO[C@H]1CCCC[C@H]1C 1760468255 NJAUUZJITXAVDW-AABGKKOBSA-N 447.624 4.568 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1760497428 FVTPYQYEZSNSON-BKMJKUGQSA-N 438.616 4.539 30 10 IJEE CC(F)(F)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1761453521 BHPVOHIUVMXUBZ-GOSISDBHSA-N 429.899 4.711 30 10 IJEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1767325366 AAZNVSNRUMTVDL-UXHICEINSA-N 427.618 4.742 30 10 IJEE CCCCCCCCCCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1C(=O)O 1857891600 ZGNFOGXXGFHQJV-UHFFFAOYSA-N 448.604 4.857 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1C#N 1860666272 KSLXTOUGRKKZLP-INIZCTEOSA-N 434.565 4.889 30 10 IJEE CCSc1ccc(Cl)cc1CC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C#N)C1 1860894132 XKZRKFIPQYVBLH-QGZVFWFLSA-N 441.984 4.743 30 10 IJEE CCCCCCCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 1861190902 NROOCSNDVQJLHD-CTNGQTDRSA-N 436.040 4.533 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1 1862091065 FLJQOWYPINMPKR-GOSISDBHSA-N 438.531 4.702 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccccc3Cl)[C@@H]2c2cccc(O)c2)cc1 1862430617 NWGRGWLKJFWIEM-QFIPXVFZSA-N 449.890 4.833 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(OC)c(O)c1 1862461050 WLIYBVCUPOTPPB-FQEVSTJZSA-N 449.425 4.587 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862655176 BDILISZLNSVXKA-PEBXRYMYSA-N 446.459 4.830 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1C(=O)O 1862714535 KYZNUXURAXWTFY-QRQCRPRQSA-N 429.472 4.915 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(C)cc2)cc1 1862746582 GXRZVVMYVWPLRG-HSZRJFAPSA-N 442.471 4.990 30 10 IJEE CCOc1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862834203 BDDVKPHKKNTNSM-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE CN(C)c1cccc(N2C(=O)C(Nc3ccc(C#N)cc3)=C(c3ccccc3Cl)C2=O)c1 1863077001 QTKAKOMVXAAFMD-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE C[C@H](c1ccccc1)N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863492268 DLYOXVMOIVZWFK-QGZVFWFLSA-N 432.483 4.993 30 10 IJEE CCCCCCCCN1C(=O)C(NCCCCC)=C(c2ccc(OC)cc2OC)C1=O 1863752708 SZOOTHQGOWZLLW-UHFFFAOYSA-N 430.589 4.924 30 10 IJEE CSCC[C@@H](NC(=O)CCC(C)(C)c1ccc(C)cc1)C(=O)Nc1ccc(C#N)cc1 1866794160 FEXGELMZQGYYNO-JOCHJYFZSA-N 437.609 4.801 30 10 IJEE CC(C)c1ccc(/C=C/C(=O)Nc2c(C#N)nnn2-c2ccc(Br)cc2)cc1 1870143593 SFVFHMLPZXLZQK-LFYBBSHMSA-N 436.313 4.677 30 10 IJEE Cc1cc(-n2nnc(C#N)c2NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br 1870157673 ISUYJQKXJSDGKP-UHFFFAOYSA-N 438.329 4.760 30 10 IJEE CC(C)(C)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc3cc(Cl)ccc3n2)cc1 1870162334 PHWGYABBRWNSMY-UHFFFAOYSA-N 430.899 4.890 30 10 IJEE CCCCCCCCCCn1cc(OCCO)c(=O)cc1CNc1ccc2[nH]ncc2c1 1870791546 BDHCCGFSODIWGB-UHFFFAOYSA-N 440.588 4.849 30 10 IJEE CCOc1cc(C(=O)Oc2ccc3c(c2)OC(=C(C)C)C3=O)cc(OCC)c1OCC 1871374065 OQFWACIRSRMWSB-UHFFFAOYSA-N 426.465 4.971 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OCCOc4ccccc4F)ccc3C2=O)cc1OC 1871418286 XKRLFNRRZFSXMH-OYKKKHCWSA-N 436.435 4.917 30 10 IJEE CCOC(=O)c1ccc(COc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)o1 1871439094 HLZYKSUSAVGRTC-NHDPSOOVSA-N 449.415 4.868 30 10 IJEE C[C@H](Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)C(=O)Nc1nc2ccccc2s1 1871439975 TWLVITBPYRQWAT-JFENUBAZSA-N 432.457 4.912 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1ccc2cc[nH]c2c1)C(C)C)S(=O)(=O)c1ccc(C)cc1 1872095696 UGECUDCULSFHRY-HSZRJFAPSA-N 439.581 4.706 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1/N=C/c1ccc(OCC)cc1 1874241815 ZUBXZXFQMFTVOP-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CCSc1nnc(CCCOc2ccccc2C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874248055 ADQPKACKARTBKB-PXLXIMEGSA-N 425.514 4.501 30 10 IJEE C=C(C)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccc(Cl)c1 1874274841 VFBGOAIINTVKFP-IMQYADFFSA-N 431.993 4.596 30 10 IJEE CCCOc1c(/C=N/n2c(CCCOc3ccccc3)nnc2SC)cccc1OC 1874315474 UVRGBQUUOZNHQN-JJIBRWJFSA-N 440.569 4.691 30 10 IJEE Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2/N=C/c2ccccn2)cc1 1874387760 DFDLOJBMJKULEN-MFKUBSTISA-N 444.520 4.655 30 10 IJEE C[C@H](c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc[nH]1 1874393371 KNZAKQMWRXNYMU-HUSFYUSLSA-N 432.509 4.841 30 10 IJEE Oc1ccc(Cl)cc1/C=N/n1c(SCc2ccc(F)cc2)nnc1[C@H]1CCCO1 1874443218 WAPNXIUZIYQBHM-TYLRVVQJSA-N 432.908 4.802 30 10 IJEE Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2/N=C/c2ccc(F)cc2F)c1 1874518281 LXULELKCHFFTKJ-OPEKNORGSA-N 441.507 4.664 30 10 IJEE CCc1nnc(SCc2cccc3ccccc23)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874525784 GATMRUOQUFYUNM-YDZHTSKRSA-N 433.493 4.782 30 10 IJEE COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1ccc(C)cc1 1874571195 ANQVBBSACPXPLF-SDNWHVSQSA-N 446.459 4.825 30 10 IJEE COc1cccc(OCC(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3)c2)c1 1874693900 BQURVIJFTVAPMF-ZRDIBKRKSA-N 448.471 4.593 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)Cc1ccc(F)cc1 1874698434 WIQPDTLRRVRZEX-UUILKARUSA-N 435.407 4.787 30 10 IJEE COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 1875117295 NHDVXZTZXTXZLY-WLRTZDKTSA-N 433.416 4.727 30 10 IJEE C=CCC1(NCc2cc(O)ccc2Br)CCN(C(=O)OC(C)(C)C)CC1 1924558213 CWSKIJKUNZOCLQ-UHFFFAOYSA-N 425.367 4.590 30 10 IJEE COCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(Cc2ccccc2)C2(CCCCC2)C1 1950349508 YRFYEKDZTZBFPU-VWLOTQADSA-N 427.589 4.741 30 10 IJEE N#Cc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](F)C(=O)O)c1 1957734600 NHBNDCQCMXCHRD-XZOQPEGZSA-N 430.435 4.561 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C12[C@H]3CC(C[C@H]31)[C@H]2NC(=O)OC(C)(C)C 2012846797 REXNVDZZKFRZKT-QPNBRCJKSA-N 426.601 4.677 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)C12[C@@H](NC(=O)OC(C)(C)C)C3C[C@H]1[C@H]2C3 2012846798 REXNVDZZKFRZKT-VAANSQHUSA-N 426.601 4.677 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cccc(Br)c1Cl)NC 2047968279 QEMQLPLNJUWODD-HZPDHXFCSA-N 429.786 4.540 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1 2048495373 AVZJXYWFCCFCIC-SJORKVTESA-N 430.770 4.621 30 10 IJEE COc1ccc([C@@H](n2nc(C(F)F)c(C=NO)c2Br)C(C)(C)C)c(O)c1 2079879558 FEVHDUSSWWGPGE-CQSZACIVSA-N 432.265 4.741 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2106591504 PQOCHUUDDPNJOC-UHFFFAOYSA-N 446.441 4.501 30 10 IJEE CC(C)[C@@H]1[C@H](Nc2ccc(C#N)c(Br)c2F)CCN1C(=O)OC(C)(C)C 2126371889 MXAXGVKPONDFHA-RHSMWYFYSA-N 426.330 4.906 30 10 IJEE CC1(C)OB(c2ccc(COc3cc(F)c(Br)c(F)c3)cc2)OC1(C)C 2148964093 NVEBFKMFROWHFQ-UHFFFAOYSA-N 425.078 4.606 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1c1ccc(C#N)c(Br)c1F 2174815431 SXRRRFIQCWKMAQ-CABCVRRESA-N 438.341 4.828 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1Br 2180952250 IBSSIOAGGPVTLM-CYBMUJFWSA-N 449.267 4.713 30 10 IJEE C[C@@H]1CCC[C@@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)cc2Br)C1 2181140695 DDOGHVWNIQKRCC-XCLFUZPHSA-N 436.350 4.733 30 10 IJEE N#Cc1cc(F)c(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1Br 2186708519 RKFXZDKJTPUPCS-GOSISDBHSA-N 442.254 4.713 30 10 IJEE CC(C)(C)OC(=O)NCC1(F)CCC(COc2cc(Br)cnc2C#N)CC1 2198819094 CYYIDTZUGMCINY-UHFFFAOYSA-N 442.329 4.518 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2235717651 BTDWWDSKPWLHQB-CMKODMSKSA-N 435.406 4.720 30 10 IJEE C=C(COCc1ccccc1)[C@]1(OCCC(=O)O)CCCC[C@H]1CNC(=O)OC(C)(C)C 2262199524 IZHXKYCVQBHZAT-SQJMNOBHSA-N 447.572 4.704 30 10 IJEE C=CCCC1([C@H](N)Cc2ccc(F)cc2Br)CN(C(=O)OC(C)(C)C)C1 2266304202 APSSIECNFCHEBH-QGZVFWFLSA-N 427.358 4.661 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2267580820 KNNAPUSGJYGYAA-QRVBRYPASA-N 442.365 4.619 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267840831 HGQKULMQLGBZME-UHFFFAOYSA-N 439.365 4.967 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2269710544 CHCHYUASDNUCEI-IBGZPJMESA-N 436.405 4.766 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2274222225 HTEHZRVUUITXDO-AWEZNQCLSA-N 426.330 4.542 30 10 IJEE Cc1c(C(=O)OC(C)C)sc(NC(=O)C=Cc2ccc(Br)cc2)c1C#N 2295149896 GUKWLQJFFOZZOY-UHFFFAOYSA-N 433.327 4.908 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CC([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2305404754 YMKNJMJMQBTOBQ-LQAIBEDLSA-N 428.573 4.555 30 10 IJEE Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(NN=CC=Cc2ccccc2)n1 2313800453 FIRIXFLPSLAZBQ-UHFFFAOYSA-N 426.933 4.608 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319678301 WMZNAZRNEACYDZ-HSZRJFAPSA-N 430.354 4.732 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccs1)O3)CN(C[C@@H]1COc3ccccc3O1)CO2 2322234748 NKVDDLHEWRZHND-MRXNPFEDSA-N 447.512 4.665 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc4c(c1)OCO4)C3=O)CN(Cc1cccs1)CO2 2322307970 JYPLYELWWITJGL-UHFFFAOYSA-N 433.485 4.754 30 10 IJEE COc1ccc(-n2ncc(NN=Cc3cccc4ccccc34)c(Br)c2=O)cc1 2322634850 CAQSCPFAWZQCRQ-UHFFFAOYSA-N 449.308 4.603 30 10 IJEE COc1ccccc1-c1csc(NN=Cc2cc(OC)c(OC(C)C)c([N+](=O)[O-])c2)n1 2323852025 HNCVGGIYUIRAJR-UHFFFAOYSA-N 442.497 4.969 30 10 IJEE CCn1c(C)c(C=Nn2c(C)nnc2SCc2ccc(C(=O)OC)cc2)c2ccccc21 2326783824 JDAIXNXWCPIEEV-UHFFFAOYSA-N 447.564 4.831 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CC2CCCCC2)n1N=Cc1ccc(F)cc1F 2330221510 PLLOAMPJHWOGKW-UHFFFAOYSA-N 449.571 4.522 30 10 IJEE CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 2330883105 NELJTPAMDNLYAV-IBGZPJMESA-N 428.945 4.966 30 10 IJEE COc1cc(OC)c(OC)cc1C=Nn1c(SCc2ccccc2)nnc1C(C)(C)C 2331394451 JGTVIJMMCYQUPZ-UHFFFAOYSA-N 440.569 4.776 30 10 IJEE CCOc1c(C=Nn2c(SCc3ccc(F)cc3)nnc2C2CC2)cccc1OC 2331726715 YXUADVPIQQFCNI-UHFFFAOYSA-N 426.517 4.876 30 10 IJEE C=CC[C@H](Oc1cc(Br)nc(CCC)n1)[C@@H]1CCN1C(=O)OC(C)(C)C 2335742226 HNYPOXVLWQKRSF-KBPBESRZSA-N 426.355 4.525 30 10 IJEE CC(C)(C)OC(=O)N1CCC(CCC2CCN(CCC#CBr)CC2)CC1 2335933150 RFXAEMOJMIPGBQ-UHFFFAOYSA-N 427.427 4.872 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3ccc(C=CB4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2339541023 FMJNALMYDBFSGK-GBESFXJTSA-N 441.381 4.536 30 10 IJEE C[C@H](SCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)[C@H]1CCCO1 2349807600 IYNHTCMIYGWUBK-SUMWQHHRSA-N 427.213 4.549 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2360197953 ZOHNWFCIUPAOGT-RSPOEFSDSA-N 433.390 4.567 30 10 IJEE O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1cc(Cl)ccc1Cl 21084512 TZORQQAFEJRJNG-UHFFFAOYSA-N 427.361 4.964 30 10 IJEE O=C(O/N=C1\C(=O)N(C(=O)c2ccc(Cl)cc2)c2ccccc21)c1ccc(Cl)cc1 33365787 KWPTXSVZPDKZJL-PLRJNAJWSA-N 439.254 4.742 30 10 IJEE O=C(O)c1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 35657505 XXOIPFXWTSHBCY-IWIPYMOSSA-N 425.452 4.503 30 10 IJEE CCCCCCn1c(O)c(C(=O)COc2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O 38627001 RXKPLYZHKQAXCU-UHFFFAOYSA-N 437.323 4.883 30 10 IJEE C=CCOc1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)c1 66064658 HXFYNEYGWGEVDM-UHFFFAOYSA-N 429.520 4.969 30 10 IJEE Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](C#N)c1ccc(F)cc1F 111029147 DUWAUFUMCIINLW-KRWDZBQOSA-N 433.867 4.957 30 10 IJEE CCCCCOc1ccc(/C=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1OC 169894949 OFCQFFSQIYKWGO-MYYYXRDXSA-N 440.931 4.910 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(N(CC)CC)cc2)=C(c2ccc(OCC(C)C)cc2)C1=O 170117788 MHTYUJDTXWFDJA-UHFFFAOYSA-N 447.579 4.946 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)c(C)c1 170131531 YKSNDRYSYHVLOI-QFIPXVFZSA-N 433.435 4.631 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@H]2c2ccccn2)cc1C 170169288 IAJBIGXVPWPFRZ-QFIPXVFZSA-N 432.451 4.629 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccn2)c1 170172563 HJGLLQWHKIQXRQ-XMMPIXPASA-N 440.499 4.806 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)[C@H]1c1ccccn1)c1ccc(Cl)cc1 170176624 FGSGFSHBJAIAHX-IBGZPJMESA-N 426.806 4.796 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3C)[C@@H]2c2ccncc2)c(C)c1 170202903 IZRNFKFKQVLVSF-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 170226922 FZUYYBVPSZIMED-NRFANRHFSA-N 433.847 4.852 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(Cl)c(OC)cc2OC)[C@H]1c1sccc1C 170318961 NOOVADSOVWMOLN-KRWDZBQOSA-N 435.929 4.715 30 10 IJEE Cc1ccc2nc3c(c(C(=O)N4CCCN(Cc5ccc(C#N)cc5)CC4)c2c1)CCCC3 248336116 NYRBSNCPYNFSMV-UHFFFAOYSA-N 438.575 4.642 30 10 IJEE C=CCN1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)SC1=Nc1ccccc1 252636301 XGSJNCTVUFUYCB-OYBLBNEUSA-N 445.338 4.953 30 10 IJEE COc1cc(C=NO[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC(F)F 254855804 HKUOXLIFXLXUOJ-KRWDZBQOSA-N 446.494 4.517 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1cc(F)ccc1Br)NCCC 406877805 YYCKBAFARGWINT-QZTJIDSGSA-N 429.374 4.968 30 10 IJEE N#Cc1ccc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1O 443122712 HMQBRMGUKRBQNM-KRWDZBQOSA-N 444.331 4.515 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2c2cccn2C)n(Cc2ccccc2)c1C 472339656 UCAMHMCFPJAWCC-XMMPIXPASA-N 429.568 4.529 30 10 IJEE C=C(C)[C@H](NC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)c1ccc(F)c(F)c1 478916996 IFKOUKFHLIUJGS-ACJLOTCBSA-N 425.401 4.621 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 518994687 GWGYOKDTDSBELV-OXQOHEQNSA-N 439.585 4.721 30 10 IJEE COc1ccccc1NC1=C(Sc2ccccc2)C(=O)N(c2ccccc2C#N)C1=O 526636976 QCPFSJWUKJGYDL-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE CCN(C1=C(SCc2ccco2)C(=O)N(c2ccccc2C#N)C1=O)c1ccccc1 526693665 ZBVNBOLNWCCVCH-UHFFFAOYSA-N 429.501 4.696 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(OCCc2ccccc2)CC1 549274473 NYXUWBJUBODICA-RUZDIDTESA-N 444.579 4.759 30 10 IJEE C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 580727257 JBFJXEIMBJKJFY-BVFVYWQFSA-N 432.568 4.837 30 10 IJEE O=C(N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccc(Cl)cc2Cl)C1)c1ccc2cc[nH]c2c1 585853986 UNCYBKKWMWWRCS-MQAJFRSZSA-N 442.346 4.608 30 10 IJEE N#Cc1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)c(F)c1 609931384 WBSAKBVUFHXIJC-UHFFFAOYSA-N 435.299 4.979 30 10 IJEE C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1cncc(F)c1 679816164 GZIBOYFVTHVWGX-JTQLQIEISA-N 446.326 4.935 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 790146828 FPVSHHZNUXWFFK-RUZDIDTESA-N 444.547 4.593 30 10 IJEE C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 790701842 OJTUYEUNJHVXBK-UNMCSNQZSA-N 444.560 4.629 30 10 IJEE CC(C)(C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1csc(-c2c(Cl)cccc2Cl)n1 796383253 GPTSKSZDRIZYIA-CQSZACIVSA-N 449.407 4.593 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(-c2ccccc2Br)n1C 804465419 MTYIEQGLPXMHQV-UHFFFAOYSA-N 443.341 4.758 30 10 IJEE O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 1084157660 XOMUFBHKQWCZNR-UHFFFAOYSA-N 431.202 4.972 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CC(c3ccccc3C)=NO2)cc1 1125614004 AAKOIKSKZJIERV-XMMPIXPASA-N 427.460 4.799 30 10 IJEE C=CCC1(CNC(=O)c2cc(Br)cc(I)c2)CCCC1 1128966143 NXRYNVCPZWQJFY-UHFFFAOYSA-N 448.142 4.920 30 10 IJEE C#C[C@@H](NC(=O)c1nc(COC)sc1-c1ccccc1)c1ccc(Br)cc1 1129608334 DKUHAYJICWPYJM-QGZVFWFLSA-N 441.350 4.823 30 10 IJEE C#CC[C@@]1(C(=O)N(C)c2ccc(-c3nccs3)cc2)CCCN1C(=O)OC(C)(C)C 1129683568 PMTBNRIATSNTFC-QHCPKHFHSA-N 425.554 4.566 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cnn(-c4cccc(Br)c4)c3C)cc21 1134572899 YTBXMIKVYKKCSI-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE Cc1nc(SCC(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c(C#N)c(C)c1C 1149701350 GCLSFHKNLDGCON-GOSISDBHSA-N 425.554 4.608 30 10 IJEE C#CCOCCN(C)C(=O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 1160097740 OTGPLDLFCWFZCN-UHFFFAOYSA-N 439.353 4.638 30 10 IJEE C#CC[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)c1ccccc1 1188361859 IRBRXEFHYSAXFE-OAHLLOKOSA-N 433.154 4.799 30 10 IJEE C[C@]1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCCC[C@H]1O 1199731184 BOXRIARENRDCMD-FYYLOGMGSA-N 427.932 4.853 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N 1202376969 ALLJVLSGSDZHPA-FUHWJXTLSA-N 432.402 4.823 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)Nc2cc3ccc(Br)cc3nc2Cl)n1 1207825496 IOCVMPDIQJSUIC-UHFFFAOYSA-N 446.736 4.534 30 10 IJEE C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1S(=O)(=O)c1ccc(C#N)cc1Cl 1211083213 CNDGDFGMLGTKSW-XDHUDOTRSA-N 436.964 4.979 30 10 IJEE N#Cc1ccc(S(=O)(=O)N2CC=C(c3cccc(Cl)c3)CC2)cc1C(F)(F)F 1211722006 DLCSWGUVWUTLRS-UHFFFAOYSA-N 426.847 4.708 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](OCC)C23CCCCC3)cc1 1214912345 RSGUKDBEIHRHLB-YADHBBJMSA-N 425.573 4.750 30 10 IJEE C=CC[C@@H](NC(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccncc1 1228096546 CALVYIRDJCJKGX-JOCHJYFZSA-N 438.572 4.825 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)cc1 1234239249 YPWXMZXFXRLFKT-NRFANRHFSA-N 445.604 4.991 30 10 IJEE C#C[C@H](NC(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1F 1252479582 PJOLQKLJSGKGAF-AJPKGMEUSA-N 429.706 4.882 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c(OC)c1 1267444732 BQJTZJCOQGSXQH-JOCHJYFZSA-N 436.939 4.951 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)C(F)(F)F)cc1 1272443047 IOFRCKOOPSIUNA-GOSISDBHSA-N 431.391 4.981 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1 1278998677 NPHFPRMRSOLDDH-GHTZIAJQSA-N 443.565 4.718 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC(F)(F)C1 1286440985 OXFGJBBNROUKCM-ZDUSSCGKSA-N 441.295 4.742 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCO[C@H]1C(=C)C 1286451234 VUMZHLBESNILNI-KKSFZXQISA-N 449.382 4.605 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1(CC)CCOCC1 1286518995 ORGPTFDJZIUSRS-YADARESESA-N 440.563 4.756 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H](C)COCc1ccccc1 1286525843 SYOIRXTUGXORRQ-CJFMBICVSA-N 434.609 4.775 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)Cc1ccon1 1286551179 KUXMTYDXKHCDBJ-SIKLNZKXSA-N 435.572 4.848 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(CC)Cc1ccccc1C 1286563364 JJMKVQHFMZDDBX-NOZRDPDXSA-N 431.584 4.580 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1c(CC)noc1C 1286568739 WBNKQOJMVHMUII-KRWDZBQOSA-N 427.524 4.867 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1286597346 JTENNLALCYODCC-QHCPKHFHSA-N 437.632 4.690 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1286600592 ORWACDICHVYXHI-CTNGQTDRSA-N 442.604 4.631 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)CN(C)C)CC1 1286638045 SSRUXMKOLJFSJA-OAQYLSRUSA-N 425.621 4.779 30 10 IJEE C=C1CCN(c2nnc(CCCc3ccccc3)n2Cc2csc([C@@H](C)OC)n2)CC1 1286648040 GQZQLCWOGYPLIH-LJQANCHMSA-N 437.613 4.822 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCCOC)CC1 1286663911 LRTWTRBQKOJJDA-UHFFFAOYSA-N 425.360 4.603 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286668662 STXSGWCSKMFOKV-GOSISDBHSA-N 435.538 4.929 30 10 IJEE C=CCCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccon1 1286685195 PCCPYFKWALFHKT-UHFFFAOYSA-N 434.313 4.827 30 10 IJEE C=CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[C@H]21 1286686261 DYNNGSQNBZULDC-WOJBJXKFSA-N 429.609 4.738 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1286708595 VYPDEDDMZRJLDV-UXHICEINSA-N 445.007 4.834 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1286711944 RODFKRHGVDJYOS-IBGZPJMESA-N 431.650 4.917 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN(C2CCCCC2)CC1 1286799509 WAIOVMQHRVNZPH-UHFFFAOYSA-N 437.632 4.544 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1286826121 XCNSYPLEBTYKRX-HOCLYGCPSA-N 438.439 4.970 30 10 IJEE C=CCSCCn1c(CC)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1286831426 FEGOGKKFYHNUIN-MRXNPFEDSA-N 427.387 4.669 30 10 IJEE C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H]1CCCCO1 1288961363 HLDFYBOLQSEWOZ-GLDPYIMESA-N 441.551 4.646 30 10 IJEE C=CC[C@]1(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCC2)CCCN1C(=O)OC(C)(C)C 1289476212 BFPZGCMWKXPBSA-PXDATVDWSA-N 428.573 4.998 30 10 IJEE Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccnc(OC3CCCCC3)c2)o1 1289521724 DQXAYPCLMBSYRX-QGZVFWFLSA-N 434.544 4.740 30 10 IJEE C#Cc1ccccc1CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1295361116 XUDSDTORHXFDHD-MHZLTWQESA-N 428.963 4.798 30 10 IJEE C#C[C@H](CC)NC(=O)[C@H](CC(=C)Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 1297452612 YRBNZZNFTNZPOP-HXOBKFHXSA-N 436.939 4.564 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC(C)(C)COC 1300283717 WKHMOGPUCKJRLP-QGZVFWFLSA-N 447.421 4.927 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCCC2CCCC2)c1 1300333040 SYZNZZQGTVPJKV-UHFFFAOYSA-N 433.600 4.962 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCc2oncc2C1 1300373119 ZNEVEICFPSAJHC-UHFFFAOYSA-N 433.556 4.643 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)C1CCCCC1 1300386778 VMZCQHWLAMYSDX-INIZCTEOSA-N 432.410 4.865 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C)Cc1cccs1 1300602745 TWECJFUDSBRJQY-ZWKOTPCHSA-N 426.561 4.957 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1300618200 AFUFUAIKZBVZKG-NHCUHLMSSA-N 432.616 4.644 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CC[C@@H](F)C1 1300650715 XEYJIYVLZZYTAN-WIYYLYMNSA-N 426.536 4.848 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cccs1 1300797693 GWSOYKHVFBJWAP-XMMPIXPASA-N 436.581 4.844 30 10 IJEE C=C(Br)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCOCC2(CCC2)C1 1300830651 HZZUCOCQPKHKPR-IBGZPJMESA-N 445.405 4.736 30 10 IJEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1301216166 CRNYAESIEZSZKN-UHFFFAOYSA-N 445.970 4.657 30 10 IJEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301225917 MWXSUXIEKGVWAT-FQEVSTJZSA-N 439.604 4.589 30 10 IJEE C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1301468703 LRFUBDLBVGTBMC-GOTSBHOMSA-N 437.632 4.751 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3cn4ccccc4n3)nnc2N(C)CC(C)(C)C)cc1 1301525952 KTMAZZBVCWWSRT-UHFFFAOYSA-N 444.583 4.612 30 10 IJEE COCCN(CCC#N)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccsc1 1301802856 FOGCZRJKNHKAMF-UHFFFAOYSA-N 441.626 4.752 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cnn(-c3ccc(C)cc3)c2C)ccc1OC 1310956219 BRUXJKWHCSJYFN-FQEVSTJZSA-N 433.512 4.500 30 10 IJEE C#CCC1(NC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCC1 1311738196 KWUZCWZIWWRSDZ-UHFFFAOYSA-N 432.955 4.980 30 10 IJEE CN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1 1312520091 DHLHIPUGKBGCOA-NRFANRHFSA-N 426.358 4.874 30 10 IJEE C#C[C@H](NC(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1)c1ccc(Cl)cc1F 1312941282 DRKXAQBHTICMIO-ROUUACIJSA-N 425.262 4.729 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C[C@@H]2CCCO2)C1 1321323276 BYJIWHKJPYHANL-WDJPJFJCSA-N 448.567 4.532 30 10 IJEE C=CCO[C@@H]1CCN(C(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)Cl)C1 1323719504 XXJMLPUOIFUQNT-CYBMUJFWSA-N 449.807 4.596 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(C(C)C)nn1C)c1ccc2c(c1)OCCO2 1348530535 ZOLHYTVISHTKKQ-UHFFFAOYSA-N 447.535 4.727 30 10 IJEE C=C[C@H](CC(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1)c1ccccc1 1351663655 YVVXQBARCGAFCJ-GOSISDBHSA-N 439.508 4.916 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1358905785 LCIXEEPVBUUMMH-IERDGZPVSA-N 430.394 4.619 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1358924524 ZOAUAMIPNVXOMC-MSOLQXFVSA-N 430.955 4.794 30 10 IJEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1358934555 FRDYPEGQXXAVHO-XZOQPEGZSA-N 436.600 4.530 30 10 IJEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC2(CCC2)C[C@H]1CC 1359061329 YXUXCOGKDZVTGP-LJQANCHMSA-N 428.577 4.522 30 10 IJEE C=C(C)CN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CC1(C(=O)N(C)C)CCCC1 1359107141 DMFRRNLKRUXVIJ-UHFFFAOYSA-N 449.643 4.799 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCN1CCC[C@@H]1C 1359109248 UIIBTKHHUNJBGM-SFHVURJKSA-N 446.437 4.903 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCCNC(=O)C1CCC1 1359145654 YJAYIFQJQRGANQ-UHFFFAOYSA-N 444.023 4.738 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2CCc2ccncc2)CC1 1359162351 NJZWQDRRXBJHCR-UHFFFAOYSA-N 447.583 4.927 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(C)C)C1)c1ccccc1 1359194325 SZPHVBFGYIRMPL-UPVQGACJSA-N 431.584 4.870 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359198334 OGBQVEMCAMIMJV-URKHTJIESA-N 438.616 4.988 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(C)CCO[C@H]1C1CC1 1359234375 NEPTXFJBSRECSV-RXVVDRJESA-N 431.378 4.535 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1359255305 UPBZDIDNGJIBSR-NZQKXSOJSA-N 426.605 4.883 30 10 IJEE C#CCOc1ccc(NC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)cc1 1360373997 JOZFWGYPNPUGHC-FQEVSTJZSA-N 434.536 4.896 30 10 IJEE CCOC(=O)Nc1ccc(NC(=O)C2(Cc3ccccc3Br)CC2)cc1C#N 1435624295 GEHBKARJOJWURT-UHFFFAOYSA-N 442.313 4.851 30 10 IJEE C#CCOc1ccc(COC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1 1435847791 KHNWGFPQIUNRGH-UHFFFAOYSA-N 433.464 4.504 30 10 IJEE C#CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1CCCc2ccccc21 1439621228 BFZWVGOUPSPKPZ-JOCHJYFZSA-N 434.337 4.788 30 10 IJEE C#C[C@H](CCC)NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 1448936060 OOEJBCRLPGHXPR-GOSISDBHSA-N 442.515 4.850 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)oc2CC)nc2sc3c(c2c1=O)CCCC3 1458821449 WAKMNMQCUZHXIF-UHFFFAOYSA-N 444.578 4.757 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(OCC#N)cc3)c2C(=O)OC(C)(C)C)C1 1459942386 BDMUCGYCFJMTTA-HNNXBMFYSA-N 440.565 4.912 30 10 IJEE CC[C@@](C)(O)CN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccccc1 1459958489 FTWAPHYIGHJNAF-AVRWGWEMSA-N 439.625 4.736 30 10 IJEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2cncc(OCc3ccccc3)c2)CC1 1460045103 AXFFEOMGJVDJGL-VWLOTQADSA-N 432.955 4.696 30 10 IJEE C=C(C)Cn1c(SCC(=O)NC(C)(C)c2ccc(F)cc2F)nnc1-c1ccco1 1462773637 ABHCTJPEWBZYCY-UHFFFAOYSA-N 432.496 4.536 30 10 IJEE CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1463792150 BSVRBPVRFHUQJB-SIKLNZKXSA-N 429.486 4.683 30 10 IJEE C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1465485804 ZNFBNNZYEKPRSS-UYAOXDASSA-N 445.560 4.719 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 1465779584 MLXPUPJAQBCTLB-FQEVSTJZSA-N 440.515 4.874 30 10 IJEE CO[C@](C)(CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)COCc1ccccc1 1468949768 ACOIAZFLSHQXDS-RUZDIDTESA-N 449.576 4.708 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 1470764902 VMYLEYOJAZDLOQ-HJNYFJLDSA-N 443.588 4.538 30 10 IJEE C#CCN(C(=O)c1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1471881117 GRGACUIREGRQQU-UHFFFAOYSA-N 444.881 4.834 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1472290434 MFHLRMDLVJEMPV-HSZRJFAPSA-N 438.593 4.657 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3C[C@H]4CC[C@@H]([C@@H]3C)N4C(=O)OC(C)(C)C)cc21 1477134596 JFVIPMSIGKBKLE-XLNTUCKNSA-N 439.560 4.520 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCN(C2CCCCC2)C1 1479000836 IGSRAPOZLXVUQH-SFHVURJKSA-N 438.385 4.693 30 10 IJEE Cc1noc(C)c1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC#N 1493003246 FQRUJCVHMGPKNV-LBPRGKRZSA-N 433.343 4.838 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCN1CCCC1 1507518384 UXWBXGOWQAWPSX-WOJBJXKFSA-N 444.023 4.632 30 10 IJEE C#CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](CN(C)CCC)C1 1507555139 HTAFDAGETUETRN-JOCHJYFZSA-N 444.627 4.773 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[C@H]1CCCCO1 1507764260 KWOPAYXIMSVKAB-XLGIIRLISA-N 436.600 4.986 30 10 IJEE C=C(Cn1c(C(C)C)nnc1N(C)Cc1nc([C@H](C)SCC)no1)c1ccccc1 1507853455 DOWDLEJFVYGGPA-KRWDZBQOSA-N 426.590 4.948 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(N(C)C)nc2)CC1 1507881139 RMPBGFLXCVZOQC-UHFFFAOYSA-N 443.382 4.918 30 10 IJEE C=CC[C@H](Cn1c([C@H](C)CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1)c1ccccc1 1507924831 UOOICHXUUPNHFZ-RQNQAMLKSA-N 438.616 4.926 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2ccccc2C1 1507925779 KHKZMXKMYDBBCY-UHFFFAOYSA-N 426.362 4.955 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2Cl)CC1 1507944826 ZQIAZXYJUDHXBP-UHFFFAOYSA-N 443.382 4.940 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1508009445 YIQFPCKGZYMPNA-VWLOTQADSA-N 440.563 4.926 30 10 IJEE C=C[C@H](CC(=O)NCc1ccc(I)c(Cl)c1)c1ccccc1 1519489353 XUTLPMXBZISIJG-CQSZACIVSA-N 425.697 4.921 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC 1524298732 HBSZGQGUKACJKR-UXBLZVDNSA-N 436.382 4.684 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(OC)ccc1OCC(F)(F)C(F)F 1528686304 RLQJBWNUNJEJPP-UHFFFAOYSA-N 436.405 4.674 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)c1 1529637852 HQVBAVUUBFLCBY-KRWDZBQOSA-N 436.483 4.594 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCc1nc2c(s1)CCCC2 1538995739 REMNNEILNGBJNI-HNNXBMFYSA-N 425.989 4.634 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC2(CCOCC2)C1 1539052821 UUNBWFGPRGDJFY-UHFFFAOYSA-N 443.389 4.518 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)C[C@@H]1CC 1539499139 FLKCWJFOSVCNDP-KBPBESRZSA-N 439.448 4.760 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1Cc2ccc(Br)cc2C1 1539616642 RSOQSBIOIGBZQD-QFBILLFUSA-N 431.378 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccc(Cl)cc2Cl)n1CCc1ccn(C)n1 1539678918 YFZIZGQQVQVMKV-UHFFFAOYSA-N 449.386 4.543 30 10 IJEE C=C(C)Cn1c(N(C)[C@@H](C)c2ccccc2F)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539733663 JJEZPLLDJKFUPH-OKZBNKHCSA-N 443.567 4.961 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cc(Cl)ccc1OC 1539743026 RUMRBTHOJUVMTH-UHFFFAOYSA-N 441.963 4.540 30 10 IJEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1540027784 ATEAFMFBIOGRBX-UHFFFAOYSA-N 447.583 4.597 30 10 IJEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)c1cccs1 1540092598 NORKBXOKXQVMKL-CALCHBBNSA-N 445.633 4.710 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@](C)(OC)C1CC1 1540135722 ACNHHPSSSBQCQH-ZJSXRUAMSA-N 428.552 4.667 30 10 IJEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)C(C)(C)C1 1540910221 BDWSLCICTKJFHZ-CQSZACIVSA-N 438.439 4.827 30 10 IJEE C#C[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 1556781673 LLVQXTOEHMTNOR-DLBZAZTESA-N 427.125 4.670 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](C)N2CCc3ccccc32)cc1OC 1560302226 RLDJMLVXIFFQCK-INIZCTEOSA-N 431.374 4.563 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(C(F)(F)F)cc1 1561402757 RTIWWAYQIKXDSZ-QGZVFWFLSA-N 430.398 4.841 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2cc3ccccc3s2)cc1 1562197855 VMZVQZGPKJBLAQ-OAHLLOKOSA-N 429.567 4.591 30 10 IJEE C#CCOc1ccc(NC(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)cc1 1562370819 QGTYWVMJSMBRKP-RUZDIDTESA-N 431.580 4.853 30 10 IJEE C#CCOc1cccc(NC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)c1 1562370882 MKCNPZSTHIMMHN-JOCHJYFZSA-N 437.540 4.866 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 1562440565 LWHXWIKQKPBKQA-QGZVFWFLSA-N 449.345 4.999 30 10 IJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(C(=O)NCCCN(CC)CC)c(Cl)c1 1562488797 MQRQTQITYRZDBN-KDURUIRLSA-N 432.996 4.517 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1)c1ccc(F)c(F)c1 1564597463 WFCKYZIYLOLKIW-JOCHJYFZSA-N 443.494 4.682 30 10 IJEE Cc1cc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1-c1ccccc1 1564606861 CZBKDVHMIPVTSD-UHFFFAOYSA-N 438.575 4.951 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@@H]1COc2ccc(O)cc2O1)c1ccc(C)c(C)c1 1565656940 XBFKKKGTIIYLTO-SANMLTNESA-N 445.515 4.947 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2 1569100602 OGDZHXFOXMXJQO-QGZVFWFLSA-N 449.617 4.617 30 10 IJEE C=CCc1cc(C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)cc(OC)c1OC 1584281717 BOKSRBISTCGIPA-UHFFFAOYSA-N 431.414 4.889 30 10 IJEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)CC1 1584573563 BFDAQHABOSFHTP-IRLDBZIGSA-N 446.378 4.806 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](C)[C@@H](C)C1 1586813951 ZNWRHJMTHCLCCQ-HHJKRLRDSA-N 432.564 4.974 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CCc1csc(C)n1 1587598921 IXXHWRMMTXKAIQ-SFHVURJKSA-N 437.613 4.836 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCC1CCOCC1 1589515169 LTYAVBHXILYSDY-UGKGYDQZSA-N 445.007 4.833 30 10 IJEE C=C(C)COCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[C@H]21 1593763266 FWNAWPWZZZVRAK-CRAIPNDOSA-N 437.371 4.745 30 10 IJEE C=CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2[C@@H]2C[C@H]2C(C)C)CC1 1594448237 CGQBCCJDOVHJTI-ZGXWSNOMSA-N 429.609 4.668 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@](C)(OC)CC1 1594472485 FKWSMKJXAJUVCB-VWLOTQADSA-N 442.604 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1594478869 YYMPKNHHZYQXSM-UHFFFAOYSA-N 430.600 4.886 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1594511169 KOVVSFYQDIZXSA-XMMPIXPASA-N 444.627 4.577 30 10 IJEE C=CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(C)no2)CC1)c1ccccc1 1594534543 MBOGYUGOWIDOLS-NZQKXSOJSA-N 448.615 4.770 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C#N)C1 1594567869 RZXRIQWFBNJYHR-UYAOXDASSA-N 443.979 4.773 30 10 IJEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCc1ccccc1C(F)(F)F)C1CC1 1595064846 CBPSOHBGCOLTDY-UHFFFAOYSA-N 444.505 4.556 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)(C)C)n1CC1(SC)CCN(C)CC1 1595108778 KWOXCYYWYKYEDO-UHFFFAOYSA-N 427.662 4.596 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1CC1CCN(CC(F)(F)F)CC1 1595156083 FJPZVEDMRKZIMG-UHFFFAOYSA-N 439.551 4.684 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@H](C)c1c(C)noc1C 1595239545 MNXWFKHLBJOYHR-CVDCTZTESA-N 449.599 4.816 30 10 IJEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)s2)CCS1 1611792622 CNEIYHXUVWGGQQ-UHFFFAOYSA-N 430.002 4.912 30 10 IJEE CCC(CC)[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(C)C)C1)OC 1613503259 CHTXTMKGUYJBAV-DHIUTWEWSA-N 439.604 4.519 30 10 IJEE O=C1/C(=C\c2cccnc2)S/C(=N/N=C/c2cc(Cl)ccc2O)N1Cc1ccco1 1615304869 AAALHUHLYKDBTJ-ZBIQNLPSSA-N 438.896 4.540 30 10 IJEE C=CCNc1ncc(C(=O)NCc2ccc(Oc3ccccc3C(F)(F)F)nc2)s1 1617343652 XBPCFNGKWPVXKD-UHFFFAOYSA-N 434.443 4.877 30 10 IJEE Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNC(=O)CCc1ccc(C#N)cc1)C(F)(F)F 1617392153 DPYAOUUDJKFQAP-OAQYLSRUSA-N 440.469 4.756 30 10 IJEE C=CCOc1c(Cl)cc(CN[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC 1620810831 BPSPCZUXEKMGPF-GOSISDBHSA-N 435.351 4.852 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H]2CCN(CC3CCCC3)C2)cc1OCC 1620821036 JSTGJBGQQUAYHU-LJQANCHMSA-N 437.422 4.767 30 10 IJEE C=CCc1cc(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc(OC)c1OC 1625994263 VCIKOFZEDADFBI-UHFFFAOYSA-N 429.520 4.642 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 1626376933 GXRRAFHHAFRUJK-PKOBYXMFSA-N 446.979 4.663 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1629652441 XIJDWOAPBFGEIN-HOYKHHGWSA-N 447.551 4.701 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2sccc2NC(=O)c2ccc(Br)cc2)C1 1630864365 MGRQVUVIVQVLJX-AWEZNQCLSA-N 431.355 4.638 30 10 IJEE CCCc1c(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)nnn1-c1ccc(C(C)(C)C)cc1 1632033115 DVNUVPCMNKWESC-UHFFFAOYSA-N 441.539 4.826 30 10 IJEE N#Cc1ccc(CSc2ccccc2C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1 1632989949 CQZKTHOFSWDILQ-HSZRJFAPSA-N 428.557 4.934 30 10 IJEE C=CCC1(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)CCOCC1 1632996563 CIBNEPQKEJVUTR-OAQYLSRUSA-N 430.589 4.865 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1)c1ccc(F)c(F)c1 1633019665 NKSTVSGMVYVFQS-AUSIDOKSSA-N 430.495 4.948 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2)c1C(F)F 1640450863 MIIGZZGHFXXCIH-AWEZNQCLSA-N 440.878 4.784 30 10 IJEE CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)c1nc(C#N)c(Cl)s1 1642578641 CHWUFYAWTQKUJU-GFCCVEGCSA-N 442.766 4.625 30 10 IJEE C=CCn1c(SCc2c(C)nnn2CC)nc2sc(-c3ccccc3)c(C)c2c1=O 1643608318 IQUAQQGEGMTRJR-UHFFFAOYSA-N 437.594 4.832 30 10 IJEE C#CCOc1ccc(Br)cc1CNCc1cccc(C(=O)OC(C)(C)C)c1 1650843907 AADXTHACFJFNFS-UHFFFAOYSA-N 430.342 4.706 30 10 IJEE Cc1cc(N(CCC#N)C(=O)CSc2ncc3c(n2)CC(C)(C)CC3=O)ccc1Cl 1652086076 BQSYQSUSTPKJFZ-UHFFFAOYSA-N 442.972 4.633 30 10 IJEE C=C[C@H](Sc1nc2sc3c(c2c(=O)n1CCC)CC[C@H](C(C)(C)C)C3)C(=O)OC 1652380980 AHASGJMOJJMFOU-ZFWWWQNUSA-N 434.627 4.839 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F 1653330867 VXPZZKPBYKQHAA-UHFFFAOYSA-N 431.986 4.710 30 10 IJEE CCn1ccnc1[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1653441547 DBMJPTJCSCHBBU-QFBILLFUSA-N 425.602 4.517 30 10 IJEE C=CCn1c(S[C@H](CC(C)(C)C)C(=O)OC)nc2sc3c(c2c1=O)CC[C@H](C)C3 1655970262 RKUDVERWERAUMR-XJKSGUPXSA-N 434.627 4.839 30 10 IJEE C=CCCc1ccc(S(=O)(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)cc1 1661957430 WAFBFXXNCKOWSA-UHFFFAOYSA-N 437.561 4.890 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCCc1ccnn1-c1ccccc1 1678356366 SJMATUMNWZZAMK-UHFFFAOYSA-N 441.329 4.564 30 10 IJEE C=CCN1CCC(NC(=O)NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CC1 1678390225 GSHXUDJWRPODQP-UHFFFAOYSA-N 435.902 4.860 30 10 IJEE C[C@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(-c2ccncc2)cc1 1678519529 CYSFHRNBCAYMHA-FQEVSTJZSA-N 439.563 4.645 30 10 IJEE C#C[C@@H](NC(=O)NCc1ccc(OC2CCCC2)cc1)c1ccc(Br)cc1 1682255706 ROXKXSYAYGNKBG-OAQYLSRUSA-N 427.342 4.944 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1 1683827134 CUQCXBSFAAVTJO-UHFFFAOYSA-N 425.529 4.940 30 10 IJEE CC(C)(CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1Cl 1683867418 GYLSVYYUFULFFH-UHFFFAOYSA-N 429.923 4.881 30 10 IJEE C=CC[C@H](NC(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)c1ccncc1 1684648316 HMNZWBQPLSVXBA-FQEVSTJZSA-N 430.593 4.671 30 10 IJEE C#CC1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)CC1 1686647990 BEVOHNIYMJBZHL-IBGZPJMESA-N 427.545 4.691 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)C[C@@H](C)C#N 1689880120 RJSHCQNKYIMYTA-AWEZNQCLSA-N 434.769 4.760 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H](CC)N1CCCC1 1689952660 OLNQKWLKTJPLQT-HXUWFJFHSA-N 437.588 4.757 30 10 IJEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)c1nc(C)cs1 1689976466 KVERURQDHOXNIA-CQSZACIVSA-N 432.018 4.862 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)c1cccs1 1690259558 NQFUDOYWSRGQCI-UHFFFAOYSA-N 447.967 4.632 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCOCc1ccccc1 1690336067 SLXVWLDLRXEMCN-UHFFFAOYSA-N 432.355 4.789 30 10 IJEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1690453334 ACTMKHCPDKBCNQ-UXHICEINSA-N 439.560 4.853 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690472744 UVVZVXHCCAHSAE-SFTDATJTSA-N 441.595 4.836 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCC(C)(C)C1CC1 1690567859 RKACVKSXYGUQLZ-UHFFFAOYSA-N 439.579 4.672 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@](C)(CC)O1 1690576326 WEHXNEDZVTZWMW-MBSDFSHPSA-N 425.602 4.885 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@](C)(O)c1ccccc1Cl 1690607442 MXDPNTREZBGVAE-DEOSSOPVSA-N 440.975 4.935 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](SC)C(C)(C)C)C1 1690709428 HGEISCZPJXHFKX-LEWJYISDSA-N 428.646 4.622 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)Sc1ccccc1 1705479909 MOTDZAAHVBQEAI-LSDHHAIUSA-N 444.402 4.674 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCCc1cccc(C)n1 1705485735 OPVYDDXJEBZMKF-HXUWFJFHSA-N 447.583 4.535 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1705538050 BRXRIWBHMAVQPB-QFIPXVFZSA-N 434.540 4.660 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(CCCC2)C1 1705666214 RWBYGIDFMIZVGQ-UHFFFAOYSA-N 431.005 4.647 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H](C)Sc1ccccc1 1705676059 KVIAVUIWQFFZMM-GAJHUEQPSA-N 437.638 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705720948 SWCWZEQPWDSOLV-MYDTUXCISA-N 445.696 4.967 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC2(CCOCC2)C1 1705748110 CJMUUYBGTITODC-UHFFFAOYSA-N 446.979 4.502 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(N(C)C)CCCCC2)C1 1705917162 QXBXQQSBZBVTOW-OAQYLSRUSA-N 444.023 4.644 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)C1 1705926363 CBMQJXRZAXMVBC-FUPPJEDESA-N 443.680 4.549 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C[C@@H](C)C#N 1710394352 AWLUUBHVOJULDP-SFHVURJKSA-N 427.593 4.566 30 10 IJEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1711125632 HZPCPUVCICDCST-WMZOPIPTSA-N 430.434 4.735 30 10 IJEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1cccs1 1722465069 XDXOCHKETIEEQT-QWFCFKBJSA-N 444.670 4.966 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCN1CCC 1722513427 YRECDFYPSPAYON-SFHVURJKSA-N 446.437 4.984 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C2CC2)C1 1722529262 YIGZUYVGOCMHAD-LJQANCHMSA-N 445.405 4.845 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1722592792 ZAKMFEUYGPTYGQ-QHCPKHFHSA-N 448.615 4.656 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1CC1CCC(OC)CC1 1722673270 MXJYMJJBBVBFJE-KXTRFFEISA-N 438.616 4.960 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Cc2ccc(OC)cc2)C1 1722719110 QPJYQEVQUWDZCN-SIKLNZKXSA-N 426.605 4.535 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1722737926 VYRFSIDTFXQOBB-UHFFFAOYSA-N 431.968 4.997 30 10 IJEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCC1CCCC1 1728898975 AOTOWPBZXFXHJN-DEOSSOPVSA-N 441.551 4.668 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)CCC(C)C 1740560013 ZVEJYUYUSMGJPR-VGSWGCGISA-N 435.037 4.869 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740595254 PVGAMIFHZYLUMC-GOTSBHOMSA-N 436.600 4.530 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CC1C[C@H](C)O[C@@H](C)C1 1740664953 KAWNLMKNPMLNID-IRXDYDNUSA-N 445.405 4.679 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCCCCC[C@H]21 1740721270 DFXRTOQBGUNNRU-FGZHOGPDSA-N 438.641 4.999 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)c1cc(F)ccc1F 1740761437 NVWDXUNUHYVCDI-ZYOFANERSA-N 446.542 4.977 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(F)c(F)c2)CC1 1740836547 LZGBSPHMLSLBQT-UHFFFAOYSA-N 445.901 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740850560 LZFOHICROILLSQ-MJGOQNOKSA-N 436.522 4.822 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCO[C@H](C)C1 1740913195 AAHIMBORKWAVPP-TZIWHRDSSA-N 426.605 4.883 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1Cc1cnc(C)s1 1740915440 GSHRFMSAQWACHB-UHFFFAOYSA-N 446.580 4.663 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1740922409 GNJINLSVNZGJHM-UYAOXDASSA-N 438.597 4.759 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1nccs1 1740935850 YOPKMDGPBNMDHN-UHFFFAOYSA-N 436.972 4.733 30 10 IJEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC2(CCCCC2)C1 1740955190 YEYWQTADYIDMTQ-UHFFFAOYSA-N 435.616 4.705 30 10 IJEE C[C@@H](CN1CCCC1)Cn1c(CC(C)(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1741870756 GAMWYJBLPPPGAB-FQEVSTJZSA-N 434.632 4.639 30 10 IJEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(C)CC1)C1CCCCC1 1747547198 BCJKCCIEXAYTII-HSZRJFAPSA-N 434.632 4.954 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCOC(C)(C)C 1748639541 JBEHWYBQSBXICT-QZTJIDSGSA-N 432.996 4.961 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCCCN1CCCC1 1748647115 IZWJDBCAATWKKG-OAQYLSRUSA-N 430.600 4.526 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1csc(C(C)C)n1 1748649142 KKMBNHMRBJHZGB-HNNXBMFYSA-N 445.539 4.827 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)c1nc(C)cs1 1748833509 TWHCCTKVOZFMAD-QGZVFWFLSA-N 449.649 4.917 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCSC1(C)C 1748914308 IOQDOBGSHSEILO-CYBMUJFWSA-N 439.448 4.760 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@H]1CCOC[C@H]1C 1748917919 QJUBCICMADUJPZ-MJGOQNOKSA-N 438.572 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCCC2)n1Cc1ccc(N2CCSCC2)cc1 1749156050 QHTXSPWTZMDYCD-UHFFFAOYSA-N 425.646 4.940 30 10 IJEE C=C(C)COCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](COCC)C1 1749216024 HYCOSDLQYXEOFW-IBGZPJMESA-N 444.645 4.731 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1749252535 SARIWUDJYCZCMM-PMACEKPBSA-N 445.007 4.919 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1749286076 DTFPXUKBIPPXOM-RNHFSVANSA-N 442.604 4.770 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)CN2CCCC2)CC1 1749293164 DJWRLEUNEPUKND-GOSISDBHSA-N 444.421 4.596 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1749375899 KXYPMJWBPPNRLY-DEOSSOPVSA-N 437.613 4.664 30 10 IJEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1749456730 KVZOXQNOJAXAAX-VXKWHMMOSA-N 429.653 4.619 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749763930 NLXQYBNMMLSDCK-QUCCMNQESA-N 432.659 4.659 30 10 IJEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1760155949 PMECILBLVSLLPA-URXFXBBRSA-N 449.624 4.651 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2OC)n1CC(C)(C)CCOC 1760291279 IYEKNXDTGKZFSX-HSZRJFAPSA-N 430.980 4.662 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C1CCCCC1)N(C)C 1760331450 IILJAXDNOCUCHY-HSZRJFAPSA-N 425.621 4.867 30 10 IJEE C=C(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 1760360575 GTWCFACRUGBHKW-LJQANCHMSA-N 430.556 4.511 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1760382716 WWFYEEMZEOVFCW-CRAIPNDOSA-N 438.906 4.652 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C2CC2)N(C)C)CC1 1760397129 NCPWFSKXOSMOJU-REWPJTCUSA-N 437.632 4.778 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760416269 ZBMWGTAKDWFGCQ-UGKGYDQZSA-N 426.605 4.937 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCN1CC 1760498760 COJBXNMHBHQKGP-XMMPIXPASA-N 444.627 4.758 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C)CCCC2)C1 1760536455 BQWUBLSMJPLCHM-GOSISDBHSA-N 430.980 4.969 30 10 IJEE Cc1ccc(OC(F)F)c(Cn2c(CC(C)(C)C)nnc2N2CCC[C@](C)(C#N)C2)c1 1761817499 DZNQINLSSSIILF-HSZRJFAPSA-N 431.531 4.955 30 10 IJEE Cc1cc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)on1 1762679592 BSBLZWWIDCNXNU-AOMKIAJQSA-N 440.935 4.546 30 10 IJEE CCC[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@](C)(C#N)C1)OC 1763870329 HMCISZKQOAYJRG-YADARESESA-N 434.544 4.545 30 10 IJEE COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1CC12CCC(CC1)C2 1770525313 CLNZMLCPYNJPHD-GBFLJEJBSA-N 425.602 4.755 30 10 IJEE O=C1NC(=NN=Cc2ccc(-c3ccc(Cl)cc3)o2)S[C@H]1Cc1ccc(F)cc1 1772742348 MZIWTGFPNHIPHU-IBGZPJMESA-N 427.888 4.903 30 10 IJEE CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1 1860133210 OAEFTKOHQDHKAP-QGZVFWFLSA-N 429.476 4.615 30 10 IJEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 1860860685 QOGQVUWKFNVDSO-UHFFFAOYSA-N 447.498 4.737 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(OC)c1 1861340651 CFDVUEMIYWWTFG-HSZRJFAPSA-N 428.548 4.652 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1Br 1862409164 DOJIKIUVVYQPQL-IBGZPJMESA-N 444.325 4.754 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1862479068 XVQOVMFZLRPKGI-JOCHJYFZSA-N 446.434 4.821 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1C(=O)O 1862504140 NEJNOGAGJVFKBN-FQEVSTJZSA-N 425.456 4.601 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc(O)c2)ccc1F 1862507815 UYQNOWBPALJASQ-QHCPKHFHSA-N 431.463 4.661 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CC(C)C)ccc1O 1862551244 RRDYYWZMGVCXFN-XMMPIXPASA-N 449.547 4.904 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 1862583625 GIROLALTYSVXKE-QGZVFWFLSA-N 440.710 4.608 30 10 IJEE CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C2CC2)ccc1O 1862585934 IJWXKAVMQKHFJL-IBGZPJMESA-N 448.302 4.838 30 10 IJEE Cc1cc(C)cc(OCCN2C(=O)C(O)=C(C(=O)c3cccc(O)c3)[C@H]2c2ccccc2)c1 1862588393 OQFRJPCEBRJFDE-XMMPIXPASA-N 443.499 4.666 30 10 IJEE CC(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1 1862626959 JGSHMOOQSVCGFV-HXUWFJFHSA-N 427.884 4.693 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCc2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 1862746811 JSBGARBIUDAKJV-HSZRJFAPSA-N 442.471 4.806 30 10 IJEE Cc1ccc(C2=C(Nc3ccc(F)c(F)c3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862897316 IAQMBKCZJQADIK-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CCCOc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(C3CCCCC3)C2=O)cc1 1863344631 BGAJJGGKSGJNKQ-UHFFFAOYSA-N 429.520 4.872 30 10 IJEE Cc1ccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCCCO)cc1C 1871253675 GKNLNTCUXDHMGX-UHFFFAOYSA-N 445.563 4.691 30 10 IJEE COc1cccc(/C=C2\Oc3c(CN4C[C@@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c1OC 1871396444 GAZXWKRZHYMZKP-ZOJNTWNKSA-N 437.536 4.812 30 10 IJEE Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 1871404520 MCXMUDGLWWOFAT-NXUSMQHESA-N 444.443 4.925 30 10 IJEE C=CCOc1cc(C)c2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 1871409973 PAHVXUILFUMABF-LSCVHKIXSA-N 429.266 4.805 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(OC)cc1)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872022709 NEJXLOVCQDLPQC-QHCPKHFHSA-N 444.597 4.542 30 10 IJEE C=C(C)CN([C@H](CC(C)C)C(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1 1872504014 GIHIDPZTYHCXOT-HSZRJFAPSA-N 428.598 4.924 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)Nc1cccc(NC(C)=O)c1)n2C 1873620200 YQQYBAKKTYBDAJ-UHFFFAOYSA-N 436.560 4.951 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C)c2C)cc2c(NCc3ccc(O)cc3)ncnc21 1873641359 OFFQFBFZOXRFCL-UHFFFAOYSA-N 427.508 4.804 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873657866 RTIUUACYELXKDN-INIZCTEOSA-N 448.527 4.577 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3C)n2/N=C/c2ccncc2)c1 1874308412 VOTCXBCJCCHBNC-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(-c3ccco3)n2/N=C/c2sccc2C)o1 1874466601 RJNVNFIGTJAHPI-SRZZPIQSSA-N 442.522 4.852 30 10 IJEE Cc1ccc(C)c(CSc2nnc(CC(C)C)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 1874490111 ZZVSVYVSFBYCKX-FSJBWODESA-N 439.541 4.882 30 10 IJEE CCCOc1ccc(/C=N/n2c(CC)nnc2SCC(=O)Nc2cccc(C)c2)cc1 1874523816 IWDMPCJTWILJEN-BUVRLJJBSA-N 437.569 4.551 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)c(OC)c1 1874600344 HMDUYTDJIKVFHX-JLHYYAGUSA-N 435.451 4.757 30 10 IJEE C=CCc1cc(/C=C/C(=O)c2cccc(OC)c2)cc(OC)c1OCC(=O)N(CC)CC 1874606151 YXLXQZPAEMIAGU-BUHFOSPRSA-N 437.536 4.576 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNc2cc(Br)cc(F)c2C#N)C1(C)C 1885858088 SBHSEWPJAWRMHK-ZBEGNZNMSA-N 426.330 4.811 30 10 IJEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)C3c4ccccc4Oc4ccccc43)C2)c1 1891528933 KLNDFEHTPGLTJI-IBGZPJMESA-N 425.488 4.508 30 10 IJEE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)C1CCCCC1 1901482979 LWXHOJRZPKVVHY-RPBOFIJWSA-N 445.563 4.892 30 10 IJEE C=C(COCc1ccccc1)[C@H](O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1922134546 UEGHHCMFRXZLRO-HUVFLSCGSA-N 441.568 4.619 30 10 IJEE C[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#N)s1 1951887017 RPBIAFXAYWXXNU-DEOSSOPVSA-N 432.501 4.848 30 10 IJEE C=C(C)CC[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1Br 1963992404 YLBQMZLPUXGEMG-LLVKDONJSA-N 425.186 4.543 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1ccc(Br)cc1Br 1992858050 OPSVRCLWGLSQEE-LSDHHAIUSA-N 449.183 4.584 30 10 IJEE CC(C)(C)OC(=O)NC1(C[C@@H](N)CC#C[Si](C)(C)C)CCN(Cc2ccccc2)CC1 2014146114 OIPQOZBOZDDQDO-QFIPXVFZSA-N 443.708 4.534 30 10 IJEE CN(CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1)Cc1ccccc1 2034818710 QMCKUQATBLWLSL-UHFFFAOYSA-N 426.564 4.521 30 10 IJEE N#Cc1cc(Br)ccc1NCC1(F)CCN(C(=O)OCc2ccccc2)CC1 2043968672 VJOYWQBEEUILHU-UHFFFAOYSA-N 446.320 4.874 30 10 IJEE Cc1ccc(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)cc1NC(=O)OC(C)(C)C 2060624167 VGAZASHQRXPKTM-UHFFFAOYSA-N 430.354 4.697 30 10 IJEE C=CCN(CCC(=O)NCc1cc(Br)ccc1Cl)C(=O)OC(C)(C)C 2060651269 PUEHTIUKISSRQS-UHFFFAOYSA-N 431.758 4.532 30 10 IJEE N#Cc1c(Cl)cccc1Oc1ncc(I)cc1Br 2069536186 RIXHXNBQWOAICD-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE C[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cscc1Br 2130076854 CFJJAJWHRBLUMU-DOMZBBRYSA-N 444.395 4.665 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(Br)cc2C#N)C2(CCCCC2)C1 2174808044 JMTOUKHAMFYBIK-INIZCTEOSA-N 435.366 4.522 30 10 IJEE CCN(c1ncc(Br)cc1C#N)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2174809281 YFDMFXWEGUEIQH-RHSMWYFYSA-N 437.382 4.626 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(Br)c(C#N)c1 2180961261 OWIWEGZZLAJDHM-GUYCJALGSA-N 436.350 4.733 30 10 IJEE C[C@H]1[C@@H](C(=O)Nc2ccc(Br)cc2C#N)[C@H](C)CCN1C(=O)OC(C)(C)C 2200687798 SJRNSGGMFVZUGS-IGCXYCKISA-N 436.350 4.541 30 10 IJEE C=CC[C@H](CNC(=O)OC(C)(C)C)COc1c(N)cnc2ccc(Br)cc12 2202057855 TTYNZEHSIDZKLU-CYBMUJFWSA-N 436.350 4.675 30 10 IJEE C=C1CC([C@@H](NN)c2sc(Br)c(Br)c2Br)C1 2212244738 BOAGVYFCRMGNTG-MRVPVSSYSA-N 430.991 4.506 30 10 IJEE Cc1cnc(OCc2ccc(NC(=O)OC(C)(C)C)cc2)c(B2OC(C)(C)C(C)(C)O2)c1 2232308990 DBRCUTGUPIWNAO-UHFFFAOYSA-N 440.349 4.615 30 10 IJEE CC(C)(C)OC(=O)N1CCC(Nc2ccc(C#N)c(Br)c2F)(C(F)F)CC1 2235755303 CUTDRRAZDAAMDK-UHFFFAOYSA-N 448.283 4.907 30 10 IJEE CN(CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2241486220 LFOMCJBVOQFDCR-BJKOFHAPSA-N 448.416 4.630 30 10 IJEE COc1cc(C(=O)N(Cc2ccccc2)C2CCCC2)ccc1B1OC(C)(C)C(C)(C)O1 2267147543 VMEYSOHCNXYHMP-UHFFFAOYSA-N 435.373 4.579 30 10 IJEE C=CC[C@@]1(COc2cc(Br)cc(F)c2N)CCCN1C(=O)OC(C)(C)C 2272088851 KVLJUICNVAOXTP-IBGZPJMESA-N 429.330 4.895 30 10 IJEE C=CCCC1([C@H](NCC)c2nc(CC)[nH]c2Br)CN(C(=O)OC(C)(C)C)C1 2281037288 HVJHZVXCCGQLJY-MRXNPFEDSA-N 441.414 4.589 30 10 IJEE COc1ccccc1[C@H]1C(=C(O)c2ccco2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1 2296132732 GVHDDYWVXCYEEQ-FQEVSTJZSA-N 446.484 4.833 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2296216107 HJXMXUKWXAWFTH-AZUAARDMSA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C 2296222145 PFQFWLHNWYIVKV-MOPGFXCFSA-N 435.406 4.814 30 10 IJEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1C(=O)C#Cc1cccc(Br)c1 2296226780 JDEIIYIAUIWYBT-IBGZPJMESA-N 446.366 4.966 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H]1CCC2(CCC2)N1C(=O)OC(C)(C)C 2296306414 GYVKSRJYOCJTBE-OALUTQOASA-N 433.390 4.711 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2296308216 FIEAWCBALGGKLY-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CN(C)c1ccc(C=NN=C2SC(=Cc3ccc(O)cc3)C(=O)N2Cc2ccco2)cc1 2314841343 VVJZTPJYNQUGQZ-UHFFFAOYSA-N 446.532 4.558 30 10 IJEE C#CCCN(CC(=O)O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2314849674 UOVUQELZYCKFPG-UHFFFAOYSA-N 429.516 4.755 30 10 IJEE C=CCN1C(=O)C(=Cc2ccccc2O[C@H](CC)C(C)=O)SC1=Nc1ccc(O)cc1 2314927778 KWVBJTKPAHIEAQ-HXUWFJFHSA-N 436.533 4.929 30 10 IJEE CCCOc1ccc(C=CC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)n2)cc1 2321122257 HIHSSXSFNCNQOJ-UHFFFAOYSA-N 426.476 4.646 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1cccc(C=CC(=O)c2ccc3c(c2)OCO3)c1 2323201580 MPMPRMXXCAUHIO-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE COc1cc(C=CC(=O)c2cc(C)ccc2OC)ccc1OCC(=O)NC1CCCCC1 2324010203 DNQWHHKVVUDEFW-UHFFFAOYSA-N 437.536 4.736 30 10 IJEE CCn1cc(C=C2Oc3c(ccc(O)c3CN3C[C@H](C)O[C@@H](C)C3)C2=O)c2ccccc21 2324017583 NQAVKEZBOUZJBS-IRXDYDNUSA-N 432.520 4.592 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2N=Cc2ccccc2F)c(C(C)(C)C)c1 2325906883 QBQNTGPYDZOVOJ-UHFFFAOYSA-N 442.560 4.569 30 10 IJEE CCOc1cc(C=Nn2c(C)nnc2SCc2cccc(F)c2)cc(Cl)c1OC 2326728565 ACOYEDWTFWFJMI-UHFFFAOYSA-N 434.924 4.961 30 10 IJEE C=CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1N=Cc1cn(C)c2ccccc12 2326766521 UCXYAVPFJXDIJT-UHFFFAOYSA-N 447.564 4.538 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1ccc(OCC)cc1 2326846350 ZUBXZXFQMFTVOP-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE C=CCSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2329847221 VQVAEYXPXXWDBT-UHFFFAOYSA-N 431.880 4.730 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1OC(=O)CC 2330889671 NYIQJDIBNLJGBW-UHFFFAOYSA-N 448.269 4.968 30 10 IJEE CCc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cccs1 2331115633 ZOYICJDWDULSCJ-UHFFFAOYSA-N 439.488 4.534 30 10 IJEE CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1N=Cc1ccccc1F 2331646994 RAKANNYFQSWWHC-UHFFFAOYSA-N 425.533 4.600 30 10 IJEE C=CCC1([C@@H](NC)c2cc(Br)ccc2OC)CN(C(=O)OC(C)(C)C)C1 2339213152 XFXXVGMPPMAMOJ-KRWDZBQOSA-N 425.367 4.531 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1 2342476100 WENNMVQBBAHATB-QFBILLFUSA-N 444.381 4.581 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@@]1(C)CC[C@@]1(C)NC(=O)OC(C)(C)C 2359900467 COARIMPKTFZCJH-VLCRHTCISA-N 435.406 4.862 30 10 IJEE CCCCc1ccc(NC(=O)Cc2cc(O)nc(SCc3ccc(C#N)cc3)n2)cc1 23243462 GXTALCABQVBIMA-UHFFFAOYSA-N 432.549 4.870 30 10 IJEE CCn1nc(C)c(CN/C(=N/C(=O)c2cccc(N(C)C)c2)Nc2cc(C)cc(C)c2)c1C 32971601 FAZMGXTXZGKZIM-UHFFFAOYSA-N 446.599 4.601 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 34954433 HFLDZSSESABCFS-QLKAYGNNSA-N 433.416 4.727 30 10 IJEE COc1cccc(N/C(S)=C(/C(=O)c2ccccc2Br)[n+]2ccccc2)c1 36275068 SLMFUYQJESXWNB-UHFFFAOYSA-O 442.358 4.796 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(SC(F)F)cc1)c1nc(C#N)c(C#N)nc12 39846472 JHLFFBXMLJQXBV-YADHBBJMSA-N 439.491 4.502 30 10 IJEE C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCCOc1cccc(OC)c1 40219810 WIGNUPCKZFXAPW-UHFFFAOYSA-N 435.568 4.919 30 10 IJEE Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1F)O3)CN(Cc1ccc3c(c1)OCO3)CO2 41644914 YALJGYWERJPCOG-RMORIDSASA-N 445.446 4.831 30 10 IJEE C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1cccc([N+](=O)[O-])c1 63288274 HYMPTQQKQCBPAR-UHFFFAOYSA-N 435.528 4.627 30 10 IJEE CCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1OCC 169906304 JIZYUKUYRGICNE-JJIBRWJFSA-N 448.585 4.754 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(O)cc2)cc1 169959671 HYNWVWGSMLOHKP-HSZRJFAPSA-N 429.472 4.746 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2C2CCCCC2)cc1 170031848 OJKDNEIZBQKISR-HSZRJFAPSA-N 449.503 4.725 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1C 170068448 INZFKEZGROWVCO-XMMPIXPASA-N 434.580 4.957 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@@H]1c1ccccc1OC(C)C 170151007 HTBHKSHUFVCVHP-QHCPKHFHSA-N 435.520 4.787 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCC4)[C@@H]2c2ccncc2)c1 170197769 MYNOPEIWDHRBQT-DEOSSOPVSA-N 440.499 4.752 30 10 IJEE CCOc1cccc([C@@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCCOC)c1 170217121 XPMLVDJPBQCHCI-XMMPIXPASA-N 445.515 4.853 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(OC)ccc2Cl)[C@@H]1c1ccc(C(C)C)cc1 170244493 ATUQGAZWDUIUAK-NRFANRHFSA-N 443.927 4.697 30 10 IJEE CCOc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)ccc1Cl 170291990 RNLSXQMLQHHBBO-IBGZPJMESA-N 427.840 4.703 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1c(C)[nH]c2ccccc12 170311893 LKHFJWKPUUJHQW-NRFANRHFSA-N 433.464 4.763 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(C(=O)OC)cc2)cc1 170391980 CMJYPVITPYZMQY-OAQYLSRUSA-N 447.512 4.880 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2c(C)[nH]c3ccccc23)c1 170403103 IWCXWKMDVTWJIE-QFIPXVFZSA-N 428.444 4.861 30 10 IJEE COc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3cc(C)c(C)cc3[nH]2)cc1 170428893 QJDNNPQNOUKQMV-FQEVSTJZSA-N 433.508 4.704 30 10 IJEE CCOc1cccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccc(O)c(OCC)c2)c1 170463170 FLCKLWLPYAZJEO-QHCPKHFHSA-N 439.508 4.705 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C3/Oc4cc(OC)ccc4C3=O)cc2OC)c1 210087089 BMFKJSHMEHWXAO-FSJBWODESA-N 432.428 4.548 30 10 IJEE CCCc1c(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC)cnn1-c1cccc(C#N)c1 439679150 TZNUCWVHQHAAGR-UHFFFAOYSA-N 442.523 4.640 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1 464722888 BHFHLJDVPVXVEV-UHFFFAOYSA-N 442.519 4.639 30 10 IJEE Cc1ccc2nc(CNC(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[nH]c2c1 466764382 GRNSIYJWQHGWAH-UHFFFAOYSA-N 425.492 4.838 30 10 IJEE N#Cc1cc(N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)nc2ccc([N+](=O)[O-])cc12 481042369 DBUSCHKGDWBCSA-QGZVFWFLSA-N 436.777 4.832 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 508859587 WSXKKJMHPXROPY-NRFANRHFSA-N 433.943 4.737 30 10 IJEE C=CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 508945192 JOLXLRXHPKEBAE-HXUWFJFHSA-N 444.457 4.736 30 10 IJEE COc1cccc([C@@H]2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526490313 LUTWUCLLRXPPDX-HSZRJFAPSA-N 442.471 4.641 30 10 IJEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 555249675 WWHAXOLDESBDTP-DHIUTWEWSA-N 434.515 4.556 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 555257082 CPEPRFODJFATLY-UHFFFAOYSA-N 432.543 4.992 30 10 IJEE N#CCCCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586229940 IONKNCOJDNRIKR-UHFFFAOYSA-N 437.477 4.886 30 10 IJEE N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H](CN4CCCCCC4)C3)c2)c1 609662226 XSBWWRODGWOFKD-XMMPIXPASA-N 431.580 4.865 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1cc(F)cc(Br)c1)C2 712796128 JYNHLIWCDWMFEH-IRXDYDNUSA-N 426.326 4.878 30 10 IJEE C=CCC1([C@H](Cc2ccc(Br)cn2)NCCC)CN(C(=O)OC(C)(C)C)C1 722937483 DPXUBCGUVANHAG-SFHVURJKSA-N 438.410 4.568 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc2ccccc12 733196806 IDRKCMXKZMPIFX-QFIPXVFZSA-N 427.529 4.823 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 743120562 NLBDGUXCFZZHPC-HXUWFJFHSA-N 438.528 4.733 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1(c2ccc(F)cc2)CCCC1 744488557 DGVGIACXJZORMN-SFHVURJKSA-N 438.499 4.525 30 10 IJEE C=CCn1c(SCCC2OCCCO2)nc2scc(-c3ccc(C)cc3)c2c1=O 754270622 XLJFCAOMJHWUNQ-UHFFFAOYSA-N 428.579 4.865 30 10 IJEE CC(=NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1cc(Cl)cc(Cl)c1 755878660 DRSWWDVVCZZPHA-UHFFFAOYSA-N 448.379 4.502 30 10 IJEE Cc1ccc[n+](/C(C(=S)Nc2ccc3c(c2)OCCCO3)=C(/O)c2ccc(C#N)cc2)c1 762441413 XCYADRZZZNHHQB-UHFFFAOYSA-O 444.536 4.639 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1ccc(C)c(C)c1 809890238 XXWKMGRBOIEOSL-HSZRJFAPSA-N 445.567 4.849 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H]1/C=C/c1ccccc1 809893444 NXJHJAYRLMZOTG-TVXVBNPNSA-N 443.551 4.573 30 10 IJEE CC(=NNc1nc(SCC(=O)Nc2ccc(C)cc2F)n[nH]1)c1ccc2ccccc2c1 1084470120 WLMAYCAWVWGYDG-UHFFFAOYSA-N 448.527 4.972 30 10 IJEE C[C@@H]1CCCCN1CCC/N=C(/Nc1ccc(Cl)cc1Cl)N[C@H]1CCCC[C@@H]1N 1088664501 CEHOELHRBNMWBD-PBEJRMEISA-N 440.463 4.885 30 10 IJEE C[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCN1Cc1ccccc1 1126752471 CYVVCCYOTTVLEZ-QFQXNSOFSA-N 439.559 4.920 30 10 IJEE C#C[C@@H](NC(=O)CCCCCc1ccc(I)cc1)c1ccccc1 1130319221 DGPINDWEQWRKFZ-HXUWFJFHSA-N 431.317 4.885 30 10 IJEE C=CC(C)(C)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)c(F)c1 1131006742 PPJLXIMAWRIJMP-HKUYNNGSSA-N 434.552 4.646 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(Cl)c(OC)c(OC)c1 1135338176 WYWYYJWGGSDQIV-UHFFFAOYSA-N 429.822 4.871 30 10 IJEE N#Cc1cc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)ccc1F 1143518529 GNTCVRUOYMLFGV-UHFFFAOYSA-N 434.858 4.918 30 10 IJEE CC(C)(C)OC(=O)NCCc1ccc(CNc2nccc(Oc3cccc(C#N)c3)n2)cc1 1162355615 DPDCURRKZLKGHI-UHFFFAOYSA-N 445.523 4.820 30 10 IJEE C=C(C)[C@H](CO)Sc1nnc(-c2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 1164444376 UQSZGDMTUYUZLY-SFHVURJKSA-N 435.471 4.991 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 1169898889 FGLYFUAOXIXMGR-RUZDIDTESA-N 444.966 4.975 30 10 IJEE C#CCOc1ccc(Br)cc1CNC1CCN([C@@H](C)c2ccccc2)CC1 1177875791 RZQHXJFHELZTNS-SFHVURJKSA-N 427.386 4.776 30 10 IJEE COCC[C@@H](CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)NC(=O)OC(C)(C)C 1180042670 HBXUQVGIDYXUER-QHCPKHFHSA-N 441.547 4.629 30 10 IJEE C=CCn1ncc2ccc(NC(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)cc21 1209768609 ZIDWOZPHEABGNY-FQEVSTJZSA-N 431.462 4.666 30 10 IJEE CC(C)[C@@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)c1ccc(Cl)cc1 1211775396 DZIZCEPBEXDJNE-QGZVFWFLSA-N 441.778 4.692 30 10 IJEE CCCc1c(NC(=O)NCc2ccc(-c3cnco3)cc2)cnn1-c1cccc(C#N)c1 1216752578 AQUBSTBXDOQKEU-UHFFFAOYSA-N 426.480 4.673 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c1 1222004299 DHFSHVNJAGQCLS-IFXJQAMLSA-N 446.320 4.756 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCCc2ccccc21 1226593709 NOPVKYGJUAVBJA-RZUBCFFCSA-N 425.573 4.545 30 10 IJEE C#C[C@H](NC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1)c1ccc(F)cc1 1230479002 UBXVJSICEDOAJO-SFHVURJKSA-N 426.289 4.512 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 1251831397 WVJHJCXZUZORBD-ICSRJNTNSA-N 425.960 4.619 30 10 IJEE C=CCCC[C@H](NC(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 1254754110 HJNHLJRTVPANLF-QHCPKHFHSA-N 425.548 4.759 30 10 IJEE C=CCC1(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)CCCCC1 1264074121 PZZCNAUWUDUZQW-UHFFFAOYSA-N 434.602 4.725 30 10 IJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1264165628 IVZLFNGTGOQNCU-VWLOTQADSA-N 440.609 4.871 30 10 IJEE C#CCCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS[C@@H](C)C1 1286316100 GSKJSDIMJRQWSZ-INIZCTEOSA-N 433.419 4.761 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1286350345 ABAJGDAMPVDDJK-UHFFFAOYSA-N 437.466 4.533 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1CCSC1(C)C 1286451403 JERSCDMRILAEHX-OALUTQOASA-N 442.629 4.808 30 10 IJEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C(C)(C)C)C1 1286499092 DAQAKXMDNWKKKG-KRWDZBQOSA-N 434.556 4.785 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1ccccc1Cl 1286557826 KQYDEQGLYPCTLR-PGRDOPGGSA-N 432.996 4.626 30 10 IJEE C=C(C)CN(CC)c1nnc(CC(C)C)n1Cc1ccc(I)cc1 1286581689 SPMRBPVXHXDWPE-UHFFFAOYSA-N 438.357 4.532 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](CC)C1 1286604362 JRHHODOYIMAUGO-INIZCTEOSA-N 449.393 4.545 30 10 IJEE C=C(Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1)c1ccccc1 1286619285 QGYMXEUJNLVBOL-XMMPIXPASA-N 449.643 4.857 30 10 IJEE C=C(Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)[C@H](OC)C1)c1ccccc1 1286619289 QIDQRYGRACUBFY-JBJBFBLISA-N 438.616 4.771 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1286729456 VIIYYXGJQCDPOR-GXRSIYKFSA-N 431.669 4.577 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C)C(C)C 1286752499 XYYRGCRZHBKQKB-JPYJTQIMSA-N 443.586 4.941 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1CC(C)(C)N1CCC[C@@H](C)C1 1286759235 MRKZKOCNDPQXJK-HXUWFJFHSA-N 425.596 4.697 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCSCc2ccccc2F)C1 1286809639 KGCOEBZIYPRGAH-FQEVSTJZSA-N 430.593 4.790 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1Cc1cccs1 1286830485 OESCWWGUUCIBJQ-SFHVURJKSA-N 425.627 4.841 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)s1 1288143801 XGPFYRDZFVHNHG-AWEZNQCLSA-N 431.023 4.561 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCOc3ccc(Cl)cc3Cl)n[nH]2)c1C 1292343555 ABVFEHUUEQJIGY-UHFFFAOYSA-N 448.354 4.582 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CC[C@H](F)C1 1300322981 VYIGHRJDUVAWFW-DZKIICNBSA-N 425.335 4.760 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CC[C@@H](F)C1 1300323004 VYIGHRJDUVAWFW-SQWLQELKSA-N 425.335 4.760 30 10 IJEE C=CCN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)[C@H](C)COC 1300717746 MMEDLFXOLBYTHY-MRXNPFEDSA-N 444.457 4.616 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1CCCN(C(C)C)C(C)C 1300801709 UXFKOZQDIVUYMY-AREMUKBSSA-N 432.616 4.927 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCS[C@@H](C(C)C)C1 1300880418 ILKPRSNDFZQNIN-QIJUGHKUSA-N 442.629 4.513 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2C)CC1 1301097444 WUQJBRDRXFIIMY-NRFANRHFSA-N 437.588 4.863 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccnc(SC)c2)CC1 1301133845 BHTSZGTUKDSWLH-UHFFFAOYSA-N 439.560 4.564 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CCC)C1 1301141965 UKKOIWALFXXTGI-IBGZPJMESA-N 428.577 4.570 30 10 IJEE C=CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1301203268 WAZBFAHBXNOIJJ-YOEHRIQHSA-N 444.885 4.805 30 10 IJEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)c1cccs1 1301218355 NDNIZUPUYJXIAM-QGZVFWFLSA-N 448.596 4.900 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301436252 XDKSOICDLHZZNM-DYVFJYSZSA-N 437.769 4.552 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 1303634520 ZORLJYDWIKUUDY-UHFFFAOYSA-N 447.453 4.854 30 10 IJEE CC[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cc(Br)ccc1OC 1305476657 IEDGVJVRKYWDMA-BTYIYWSLSA-N 446.393 4.741 30 10 IJEE CC[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOc1ccc(Cl)cn1 1306268761 GWNVXJCNALKWBT-UZLBHIALSA-N 436.947 4.569 30 10 IJEE CCN(CC)Cc1cccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)c1 1310210557 CISDPAPRVZJFDW-UHFFFAOYSA-N 429.524 4.909 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(C)Cc1cc(Br)ccc1Cl 1310373893 BZLKGQCHTKEKFX-UHFFFAOYSA-N 425.685 4.918 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1 1311007981 AICVYYHROWRKID-GFCCVEGCSA-N 426.897 4.701 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 1312340291 AAIYIEWCBWRFBR-UFYCRDLUSA-N 426.479 4.692 30 10 IJEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1 1356275343 DORUEUBACRAYIP-FQEVSTJZSA-N 445.611 4.585 30 10 IJEE C[C@H]1CCc2c(sc(NC(=O)COc3ccc(C#N)cc3)c2C(=O)c2ccccc2)C1 1358180937 FVSHHTXPZXXTNU-INIZCTEOSA-N 430.529 4.993 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ncccc1C 1358878121 RDCWITMIWZFKDY-CQSZACIVSA-N 444.764 4.571 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1CCN(c2ccncc2)CC1 1358942116 JXVMGHLRVSDZOL-UHFFFAOYSA-N 442.611 4.624 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)CC)n1CCCN1CCCC[C@@H]1C 1359015192 LDKPAOIZZZXMDS-RTWAWAEBSA-N 425.596 4.835 30 10 IJEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@@H](c2nc(C(C)C)cs2)C1 1359059546 QUBSWUSPCPHPSD-GOSISDBHSA-N 429.659 4.561 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C(F)(F)F)cc2C)CC1 1359160545 XIOONPXHCYUDEZ-QGZVFWFLSA-N 438.494 4.534 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ncccc1C 1359197099 CWCPHKQDNPRMSD-QHCPKHFHSA-N 433.556 4.725 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@](C)(O)c1cc(C)oc1C 1359234104 DGBVDPNFSPMHSN-OYLFLEFRSA-N 440.613 4.871 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(=C)CC1)C(C)C 1359264883 RURMSCTVCBIVGD-OAQYLSRUSA-N 441.023 4.849 30 10 IJEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1cc(Cl)ccn1 1359284372 KTINMIDOZXYYQD-UHFFFAOYSA-N 448.752 4.587 30 10 IJEE C=CCCn1cc(C(=O)N(CCC)CCOc2c(Cl)cc(Cl)cc2Cl)nn1 1436038538 UBXYRWOJHYOOEX-UHFFFAOYSA-N 431.751 4.746 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)Nc3cccnc3-c3csc(C)c3)ccc2c1=O 1455622564 AVQUWYOFRFSBFV-UHFFFAOYSA-N 434.546 4.555 30 10 IJEE C#CC[C@@]1(C(=O)Nc2ncc(-c3ccccc3C)s2)CCCN1C(=O)OC(C)(C)C 1457166963 OPNVGDCXVNLNEO-QHCPKHFHSA-N 425.554 4.850 30 10 IJEE C=CCSCCNC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 1458834081 QCZDDFQDKVJYQO-UHFFFAOYSA-N 436.371 4.686 30 10 IJEE C=CCN(C(=O)c1cc(C(C)C)n(-c2ccccc2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1458994671 GJDQERWIVTVOTA-VWLOTQADSA-N 445.563 4.798 30 10 IJEE CCOC(=O)c1oc2ccc(Br)cc2c1CN(CCC#N)Cc1ccco1 1459601303 DFGBTLUFALVMOL-UHFFFAOYSA-N 431.286 4.881 30 10 IJEE Cc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)nn1CC(F)(F)F 1461029056 BKMDYTLXQDBZMD-UHFFFAOYSA-N 439.869 4.524 30 10 IJEE C#CCN(C(=O)Nc1cc(Cl)ccc1OCCC)C1CCN(C(=O)OC(C)(C)C)CC1 1465295785 UGLGKJMUIURMGR-UHFFFAOYSA-N 449.979 4.995 30 10 IJEE C#C[C@H](NC(=O)Nc1nnc(Cc2ccc(C)cc2)s1)c1ccc(Br)cc1 1465616935 WGIAKSCNZYBTAJ-KRWDZBQOSA-N 441.354 4.696 30 10 IJEE Cc1ccc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccccc1 1466681433 CQCADEKHJPNHRL-GOSISDBHSA-N 448.548 4.892 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@]1(CC)CCOC1 1467787093 SVNRIPSIJKIJSG-IGKIAQTJSA-N 448.563 4.545 30 10 IJEE C#C[C@H](NC(=O)N1CCSC[C@@H]1c1ccc(C)cc1)c1ccc(Br)cc1 1470663250 LNZSAXKILVVQKC-VQTJNVASSA-N 429.383 4.932 30 10 IJEE C#Cc1ccc(NC(=O)CCN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 1473217815 CIGALMVVPJTXFQ-UHFFFAOYSA-N 431.363 4.985 30 10 IJEE C=CCCC[C@H](NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)c1ccccc1 1475627502 RKBDTFVPOZWCFG-INIZCTEOSA-N 426.460 4.563 30 10 IJEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)C[C@@H]1C 1493919373 BZDXTDSZPRTJEX-LVCYWYKZSA-N 434.613 4.663 30 10 IJEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1ccc(Cl)s1)OC 1497212118 HDSFVGXOEHJRAA-KRWDZBQOSA-N 429.977 4.983 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H]1CCCCO1 1507677968 BFPXHBAAJQPRTD-QHCPKHFHSA-N 431.584 4.771 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccccc1NC(=O)OC(C)(C)C 1507682633 SKJDFNWYUBRXSA-UHFFFAOYSA-N 435.528 4.701 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN(C)[C@@H](C)CC 1507764620 RWUAXSMSRATUSI-XHNVNVPESA-N 439.673 4.854 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(F)c(F)c1 1507808402 QQYNYGIYQONDQM-XXBNENTESA-N 430.543 4.907 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1 1507836030 ULRIXNPYBMFBAG-UHFFFAOYSA-N 430.568 4.684 30 10 IJEE C=C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](CC(C)C)N(C)C)CC1 1507881875 AWFYGVAWRRYTFO-NRFANRHFSA-N 434.588 4.733 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507916377 PJDKNYJLXFBELL-UHFFFAOYSA-N 438.576 4.773 30 10 IJEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1507943250 BTJHGIXBCCJDKN-HSZRJFAPSA-N 426.948 4.650 30 10 IJEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(C)C)CC1 1507958227 RJIFCZPPBSPOAE-UHFFFAOYSA-N 436.398 4.501 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1 1507997661 WLQDAUIWTIGRLQ-RTWAWAEBSA-N 426.605 4.619 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC[C@@H](F)C1 1508000363 VLXKNWNGSIPAGX-FCHUYYIVSA-N 430.531 4.851 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)Cc2cccs2)C1 1508111744 IFQZBYPGNHGKJS-ROUUACIJSA-N 426.561 4.806 30 10 IJEE C=CC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)c1ccccc1 1521721072 ZCAUQHHAYFILAW-CTNGQTDRSA-N 441.369 4.729 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)c1 1527477007 XQGUNDWQXNDGHW-XMMPIXPASA-N 432.520 4.738 30 10 IJEE C#CCN(C(=O)Cc1ccc2cccnc2c1)[C@H]1CCOc2ccc(Br)cc21 1529627560 QGLJJCFTDMWPFJ-NRFANRHFSA-N 435.321 4.525 30 10 IJEE COc1ccc(OC(F)(F)F)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 1534802674 AIXPGWBLWSITHT-UHFFFAOYSA-N 436.777 4.557 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)OCc2cc(COC(C)(C)C)on2)s1 1537177455 AHBWNOYVOGQHTL-UHFFFAOYSA-N 430.979 4.885 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)OCc2ccccc2NC(=O)C2CC2)c1 1537842010 DGMZPOAJSKDCNR-UHFFFAOYSA-N 426.472 4.843 30 10 IJEE C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1538198274 GHGMIFRRTGGCSU-QKNQBKEWSA-N 440.337 4.547 30 10 IJEE CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1538235096 BIUBGOTVAQDJKC-IMWIBFENSA-N 432.568 4.623 30 10 IJEE C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1538945841 HSLSCOAVJIPZSU-LJQANCHMSA-N 429.495 4.627 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1539052928 KDOOUMIWPOAMSC-VXKWHMMOSA-N 449.624 4.966 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 1539197110 FTXIPTDJAKFXRK-UHFFFAOYSA-N 434.536 4.755 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCCC1(C)C 1539305830 QRFIMUYPZFOGOR-QHCPKHFHSA-N 445.394 4.656 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCc1csc(CC)n1 1539352434 ZGIOZDRQQUEOON-UHFFFAOYSA-N 434.396 4.973 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(F)ccc2Br)n1CCOC(C)(C)C 1539541075 XXYVZEHPKUQUNH-OAQYLSRUSA-N 449.368 4.654 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C)CN1CCCCC1 1539567029 SBEZXOVAWHVAPO-WNCULLNHSA-N 449.643 4.588 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H]1COCCO1 1539652526 XCJJCEVEVRHJCR-HSZRJFAPSA-N 449.599 4.561 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)C[C@@H]1CCCOC1 1539711870 CPZFBOFBRSZNDP-IBGZPJMESA-N 432.996 4.690 30 10 IJEE C=CCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1540013002 HCIBHANWNKTOBR-IBGZPJMESA-N 440.588 4.510 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1(OC)CCCCC1 1540118721 AASRVRLPDVRZSP-UHFFFAOYSA-N 447.583 4.891 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1CC1(CC)CCOCC1 1540120218 PWQBYJDVPZRNDU-UHFFFAOYSA-N 449.599 4.692 30 10 IJEE C=CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1540909347 FOVWYBOAMXSWHJ-FDFHNCONSA-N 426.630 4.602 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 1543809485 KIRIETXCBNJXDE-QGZVFWFLSA-N 447.988 4.695 30 10 IJEE C=C(Cl)C[C@H](NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C(=O)OCC 1544338496 HIETTZXDSVCIIE-ZDUSSCGKSA-N 433.744 4.921 30 10 IJEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC2CCCC2)C1 1554695729 FHFDYPWZSXFFDK-RUZDIDTESA-N 437.588 4.704 30 10 IJEE CS[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1)C(C)(C)C 1555848343 FEDYCBNZXDSCCQ-HXUWFJFHSA-N 439.629 4.744 30 10 IJEE C/C(=C/C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)c1ccccc1OC(F)F 1556454124 SRYYMKAKRJRRSL-JDQHYLEWSA-N 445.897 4.754 30 10 IJEE C=C(Cl)C[C@@H](NCc1cnc(-c2ccc(Br)cc2)s1)C(=O)OCC 1560967851 RBVCSLUDHXSAGM-OAHLLOKOSA-N 429.767 4.737 30 10 IJEE COc1cc(F)ccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 1561222136 HEIDAGUIKFDGDB-UHFFFAOYSA-N 428.460 4.549 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc2ccn(Cc3cccc(OC)c3)c2c1 1562571982 QYTRHZPPESNOOF-UHFFFAOYSA-N 447.535 4.507 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1587229867 KTDHXGOOUSEOPR-WMZHIEFXSA-N 426.582 4.685 30 10 IJEE C#CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(CC)Cc1cnn(C)c1 1587813533 PLOISOHGVLOJGG-UHFFFAOYSA-N 441.583 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CC1CCN(Cc2cccs2)CC1 1589142825 PKGPIQUHNNQCAC-NTKDMRAZSA-N 425.646 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1589185672 GIIYQTWBVRMEOV-RXFWQSSRSA-N 449.599 4.584 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H](OC)[C@@H](C)CC 1589192357 QIBDSXCUMJENRX-DKZVUGQWSA-N 445.405 4.761 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cccs1 1589545137 LQNDAICHHNIJHO-GCJKJVERSA-N 426.561 4.687 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 1594431064 UNFQGYKKMQMXLF-SANMLTNESA-N 438.616 4.899 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N(C)C)nc1)C1CC1 1595026133 CVNUFKQTYKINPR-FQEVSTJZSA-N 446.599 4.699 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC12CCC(CC1)C2 1595283639 VFTLUNXDJYTBTG-UHFFFAOYSA-N 445.405 4.927 30 10 IJEE CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C#N)c1Br 1598020726 HJCHEKSFCZEOBE-UHFFFAOYSA-N 439.313 4.794 30 10 IJEE COC(=O)c1cnc([C@@H](C)NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s1 1598158288 AQMCWEZPYMRZNX-GFCCVEGCSA-N 441.896 4.738 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(F)(F)C2)CCS1 1603079189 HSKCDBBBHGOFLE-HKUYNNGSSA-N 431.556 4.830 30 10 IJEE C#CC[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1611027023 YOZOMSZXCLPHMM-INIZCTEOSA-N 425.326 4.577 30 10 IJEE C#CCNC(=O)[C@H](C)SC1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 1613122740 AXDAYMDSZUDOLA-LKZQPVPRSA-N 445.588 4.733 30 10 IJEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2CCCC2)cc1Br 1619161098 FTUIEHYIDRUMAD-CQSZACIVSA-N 432.366 4.645 30 10 IJEE C=C(CCN(C)C)C(=O)N(CCOc1ccc2cc(Br)ccc2c1)C(C)C 1620755691 KNWKZUSYVJBDPF-UHFFFAOYSA-N 433.390 4.726 30 10 IJEE CN(C)C(=O)C1(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCCCC1 1622898239 FMOOBIJNLCOZKG-FQEVSTJZSA-N 438.959 4.908 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(CCCN(CC)CC)CC2)CCCN1C(=O)OC(C)(C)C 1625029899 HPJVTISFGLKIRV-VWLOTQADSA-N 435.653 4.693 30 10 IJEE COc1cc(NC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)c(F)cc1C#N 1626517759 DSGKVOVOBIUVRM-INIZCTEOSA-N 447.308 4.577 30 10 IJEE C#CC(C)(C)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 1628012081 GXYORCDGVMTKLQ-RUZDIDTESA-N 438.527 4.794 30 10 IJEE C#CCN(C(=O)c1cc2ccccc2cc1O)[C@H]1CCOc2ccc(Br)cc21 1633713676 NFILNJMBHMDRPH-FQEVSTJZSA-N 436.305 4.907 30 10 IJEE C=C(CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)c1ccccc1 1635923185 BEXNPDYYNGHRCB-UHFFFAOYSA-N 427.342 4.740 30 10 IJEE CC(C)c1ccc(C2(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCCC2)cc1 1638202802 FGACUPQJBBMOCV-IRLDBZIGSA-N 439.600 4.887 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NCCCc3c(Cl)cccc3Cl)ccc2c1=O 1640441742 KFHPRGLBQZWDTQ-UHFFFAOYSA-N 448.375 4.541 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1644215451 XHRYOPOXDRHAGC-SJORKVTESA-N 425.451 4.527 30 10 IJEE C=CCOc1c(Br)cc(CNCc2cnc(O)c3ccccc23)cc1OC 1651580086 DNASXPICSBLSOK-UHFFFAOYSA-N 429.314 4.566 30 10 IJEE N#C[C@H](c1cccs1)N1CCN(C(=O)CSc2ccc(-c3ccccc3)cc2)CC1 1651767594 APGFIQBEJFYLDG-JOCHJYFZSA-N 433.602 4.916 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2cc(Cl)c(OC)cc2OC)Cc2ccccc2)c1 1653758573 FJODCYNAYUHBJJ-UHFFFAOYSA-N 434.923 4.984 30 10 IJEE C=C(C)COc1cc(CN[C@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)ccc1OC 1657148329 CJZBNOXLKWITOJ-JBACZVJFSA-N 430.589 4.918 30 10 IJEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 1662729907 ANQBMUQRDUEMDP-CQSZACIVSA-N 442.768 4.812 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nc(CCOc3ccccc3)no2)C1 1667648721 JTWFKFFIIGDUOX-GOSISDBHSA-N 448.498 4.764 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(c2ccccc2F)CC1 1670845149 JBIFLKOUUQNQFH-UHFFFAOYSA-N 434.309 4.507 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@@H](C)CCC[C@H]1C)c1ccccc1 1672895006 UTYIKSGPGQPSNU-LVCYWYKZSA-N 449.551 4.603 30 10 IJEE C#CC[C@H]1CCCN(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 1673034446 MXQIQWBLUGWHDJ-ZDUSSCGKSA-N 438.368 4.836 30 10 IJEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1689895367 QYEIQXDCYJBSJC-UHFFFAOYSA-N 448.590 4.541 30 10 IJEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCc1nc(C(C)(C)C)cs1 1689947462 GYNSJDRLMCOIIP-UHFFFAOYSA-N 433.625 4.814 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H](CC(C)C)N(C)C 1689949074 PMKYHTUDBFZLQE-INIZCTEOSA-N 430.021 4.859 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(C)(F)F)c1 1690208974 FGXJZWDARRPAJH-JOCHJYFZSA-N 441.551 4.786 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C2CC2)C1 1690304884 QDOHYLZPNMPRBX-HNNXBMFYSA-N 437.407 4.598 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1690338669 FOIABDGCFHFTNE-RBUKOAKNSA-N 429.996 4.527 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CCCC2)n1C[C@H]1CCN(CCC)C1 1690570006 RZRYVNCQIRWFKO-FQEVSTJZSA-N 425.596 4.999 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1C)C(C)C 1690583192 CFPWTLIIZNGWIQ-BXXSPATCSA-N 443.680 4.884 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H]1CC 1690593143 UXPNBTXANLOYFJ-WOJBJXKFSA-N 446.599 4.680 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2csc(CC)n2)C1 1690685621 ATZWIRACHQOYDZ-LEWJYISDSA-N 437.613 4.669 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2cc(F)ccc2SC)C1 1690710614 UYTPNUKYVKMYCC-IBGZPJMESA-N 444.601 4.621 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccco1)N1CCCC1 1690995288 GWOJNESFEVEZFP-XLIONFOSSA-N 438.963 4.624 30 10 IJEE Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CCOCC2)c1C 1692893852 BJWGPJRDEWTOBW-NBGIEHNGSA-N 437.588 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCCN1CCCCC1 1705483875 DUKLVJJVVHWLRA-IBGZPJMESA-N 444.023 4.721 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H]1CCCn2ccnc21 1705485648 MPSDWTJFZSVUHN-RBBKRZOGSA-N 446.599 4.602 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCSC1(C)C 1705505173 HGDRWBUGHJPQJF-IRXDYDNUSA-N 430.643 4.569 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCSCC(F)(F)F 1705625450 KVYRPWXPAMQYCF-UHFFFAOYSA-N 426.483 4.620 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS[C@@H](CC)C1 1705655586 HSOGRRZCMGRMRI-HNNXBMFYSA-N 441.453 4.950 30 10 IJEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1705657217 XFDWHFKFRWJGDX-IBGZPJMESA-N 437.638 4.714 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H](C)N(C)C1CC1 1705668218 HEMCKWVYSZDHQE-BNIKKZEQSA-N 435.616 4.510 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCc1ccc(F)cc1Cl 1705676014 JONFGHBYLSWAGF-JOCHJYFZSA-N 428.964 4.958 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCC1(COC)CCC1 1705677761 ARQMSQGYFLZAQT-RUZDIDTESA-N 436.600 4.618 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705721716 SHNFPHHCWUIHRP-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@@]2(CCCOC2)C1 1705727919 IXGYUIFGWOTSSJ-DEOSSOPVSA-N 445.007 4.835 30 10 IJEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1 1705751315 HPISSOFGQNFKJM-LBPRGKRZSA-N 432.753 4.912 30 10 IJEE C=CC1CCN(c2nnc(CC3CCCC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1705784210 LXHFQVVDBUBDOH-UHFFFAOYSA-N 443.636 4.813 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705808945 DZZOSPAXKNKQLQ-IRLDBZIGSA-N 426.605 4.852 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccco1 1705862642 QHXXSOVBFZKNEB-DEOSSOPVSA-N 436.487 4.679 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(Cl)c1C 1705875582 ZBBCXDOMTLXMBF-UHFFFAOYSA-N 432.959 4.705 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc3ccccc3n2)n1C[C@](C)(O)C(C)C 1705879125 NLTHISRMVGEPJN-SANMLTNESA-N 445.567 4.728 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCCN1CCCC[C@@H]1C 1722277207 KSZOFCYJQMXHAW-PCCBWWKXSA-N 441.595 4.670 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCC1CCC(OC)CC1 1722406822 KMLKNCYOOITXLR-HDYDNRTBSA-N 428.552 4.612 30 10 IJEE C#CCSCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C)[C@H]1C 1722466074 YXUNWASEJLQXQQ-VQTJNVASSA-N 426.630 4.890 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC(C)(C)OC[C@@H]1C 1722496780 NBKFZVZOEBYMBX-ABSDTBQOSA-N 430.980 4.583 30 10 IJEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 1722549954 BXLOKMSIADTDCE-QGZVFWFLSA-N 437.769 4.639 30 10 IJEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)C1CCCCC1 1722553902 AXQOVBRJBGCKSD-SFHVURJKSA-N 444.027 4.610 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1722583793 YQSYNYZPCLHHSG-QUCCMNQESA-N 428.552 4.604 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1722586708 PCLUSIGKTRECLC-IBGZPJMESA-N 434.588 4.737 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2F)CC1 1722587466 PRGGQEMFAGHIAP-UHFFFAOYSA-N 438.526 4.547 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722588295 PJISBZRGFINJDE-UHFFFAOYSA-N 426.531 4.858 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC=CCO1 1722594681 BXKDKZIOOYKDPX-KRWDZBQOSA-N 434.382 4.563 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCO[C@H]1C(C)C 1722642981 BULCDQHQEKBXDY-YKSBVNFPSA-N 426.605 4.972 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCC[C@H](C)C1 1722643591 STBRASKOUGGJEJ-FQEVSTJZSA-N 425.621 4.509 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1Cc1ccccc1Br 1722673792 DSHGPUGKMCWXNV-UHFFFAOYSA-N 441.373 4.870 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)Cc1ccccc1 1740538733 JTWMLINJGYGTLQ-FQEVSTJZSA-N 447.652 4.865 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(Cl)ccc1OC 1740728365 WOVCPRQEGPMKRE-JOCHJYFZSA-N 442.350 4.696 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1740733381 BWNJGLOYXJSDAQ-QSEAXJEQSA-N 449.643 4.526 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C2(CCC2)C1 1740739291 XQVYHQABXIGYJG-AWEZNQCLSA-N 446.349 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1740757112 SMVYSHALPYLMMD-YHBROIRLSA-N 426.630 4.819 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N(Cc1ccco1)Cc1ccc(C)s1 1740759527 JXAYFHJSKYRKFP-GCJKJVERSA-N 426.586 4.991 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC2(CCC2)C1 1740789676 PRTYIARTAWXZBK-UHFFFAOYSA-N 445.405 4.989 30 10 IJEE C=C(Cl)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740803618 LAXAXXHNMHQKFM-RDTXWAMCSA-N 444.004 4.991 30 10 IJEE C=C1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC[C@@H]2C)CC1 1740819442 QSQILICTPAAGDP-ZWKOTPCHSA-N 426.561 4.564 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cc3ccccc3s2)CC1 1740824371 KEUSRNQVNMBTID-GOSISDBHSA-N 426.586 4.616 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CCN(C)C(C)C)CC1 1740836934 PBBBTYKBWAKLQC-UHFFFAOYSA-N 449.599 4.860 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cn(CCCC)nc2C)CC1 1740836955 PJXRPCBFWMSWSL-UHFFFAOYSA-N 439.995 4.749 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCCOC[C@@H]1CCOC1 1740892939 RECHYPMZZCJJIK-INIZCTEOSA-N 447.004 4.879 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@](C)(O)c1ccco1 1740901881 NZRFKFMWTBZWDW-HSZRJFAPSA-N 438.528 4.936 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(N(C)C)CCCC1 1740929929 KCIQUWSFDSWALE-UHFFFAOYSA-N 432.572 4.653 30 10 IJEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1)Sc1ccccc1 1741858409 DNAKIAHUHXRNJJ-DVECYGJZSA-N 432.597 4.575 30 10 IJEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1748703227 XPMHWLPROMKVBY-FQEVSTJZSA-N 434.506 4.859 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1cscn1 1748706522 LNWLJGKVQBOGQB-UHFFFAOYSA-N 448.365 4.743 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1CCSCC(C)C 1748868780 IHJIDPBBKJVGFV-UHFFFAOYSA-N 445.430 4.560 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nc(C(C)C)cs1 1748895311 VOZPSQXEZFYGOQ-UHFFFAOYSA-N 438.000 4.613 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCC(F)(F)F)nc1 1749146664 KXUODVIYSWUBMO-UHFFFAOYSA-N 435.450 4.633 30 10 IJEE C=C(Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1)c1ccccc1 1749243966 CIXDPJHYBWEFHV-REWPJTCUSA-N 435.616 4.780 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1749288471 YIFGKXLUYMBOCC-LAUBAEHRSA-N 448.409 4.550 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H](C)CN2CCCCC2)CC1 1749294061 LZJRUJPZNKFXDF-LJQANCHMSA-N 444.023 4.886 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCOC1CCCCCC1 1751091167 FSOAJIHHZYDDTO-HNNXBMFYSA-N 449.397 4.513 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(CC#C)CC#CC 1760130657 KSQWYTJUZBZUEX-NRFANRHFSA-N 436.987 4.955 30 10 IJEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)c1nccs1 1760207537 MYJJVVRZDKPKGM-FQEVSTJZSA-N 447.608 4.622 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1Cc1ccnc(C(F)(F)F)c1 1760215578 GCENIPNCOHBBIX-UHFFFAOYSA-N 443.860 4.524 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCO[C@@H]1CCCC[C@H]1C 1760240770 BPHKWMKMNRFOSY-AUSIDOKSSA-N 435.547 4.647 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCc2ccccc21 1760332193 WAMSHHKLXJGDEH-GOSISDBHSA-N 436.991 4.847 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(OC2CCCCC2)c1 1760337505 HVPIZXRHKZPLDT-NRFANRHFSA-N 439.604 4.729 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCSC(C)(C)C1 1760351494 HVSLFTWRQOZVHH-HXUWFJFHSA-N 444.645 4.959 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1760403444 SEVUIEQYIYIUMK-UHFFFAOYSA-N 443.473 4.613 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](C(C)C)C1 1760414697 ZAGMCWVIZGBWSI-FQEVSTJZSA-N 438.645 4.697 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@@H](C)OC)C1 1760537975 UZZLBOWHVULEJR-VQIMIIECSA-N 442.560 4.629 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC)c2ccccc2)C1 1760538098 WBHURAZMTGCMKN-RXVVDRJESA-N 437.975 4.969 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(Br)c1 1760562474 KTGAIMMXNVUYQN-UHFFFAOYSA-N 444.402 4.658 30 10 IJEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(CCC#N)CC1CC1 1760744455 CHPYHFPVSWERRV-JTHBVZDNSA-N 427.637 4.982 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCOc1ccccc1 1762807911 FFSRZZHZKWHRDR-MSOLQXFVSA-N 435.597 4.949 30 10 IJEE CCC1(Cn2c(-c3cc(C)nc4ccccc34)nnc2N(C)C[C@H](C)C#N)CCOCC1 1764400235 ALRVCYXTGAFFHF-GOSISDBHSA-N 432.572 4.604 30 10 IJEE Cc1c(C(=O)O)sc2nc(-c3ccc(Cl)cc3)n(Cc3cccc(C#N)c3)c(=O)c12 1857803242 ICNXQPWAEAFXIO-UHFFFAOYSA-N 435.892 4.705 30 10 IJEE Cc1ccc(CC[C@H](Sc2nc(O)c(C#N)c(-c3ccccc3Cl)n2)C(=O)O)cc1 1860824984 GUBVTYNPHFKJRL-SFHVURJKSA-N 439.924 4.861 30 10 IJEE CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2n1C 1861391091 UPDMBBHWIYHWLR-HSZRJFAPSA-N 449.595 4.702 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccccc1Cl 1861563852 QIKXKIYVWFIINM-HBXUSSAYSA-N 435.008 4.572 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](NC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1)c1ccccc1 1862102378 LJXCHKCHRIPHDV-QFIPXVFZSA-N 430.552 4.532 30 10 IJEE CN(C)CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1 1862432818 NRHKYNQHSPUMLV-FQEVSTJZSA-N 447.362 4.914 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)c(O)c1)c1cccc(Cl)c1 1862444548 AOUVDLBYFHSZEM-JOCHJYFZSA-N 449.890 4.572 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)cc2Cl)cc1 1862537873 ANLWPLUAGVDLOP-HXPMCKFVSA-N 434.319 4.515 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1862568763 XOFUXLRLXJAFMT-XMMPIXPASA-N 442.515 4.835 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2ccccc2)c1 1862597769 OWYLNDHGFLGPOU-DEOSSOPVSA-N 443.499 4.612 30 10 IJEE CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccc4ccccc34)=C(O)C(=O)N2CCO)cc1 1862654201 XOOFZPZKUFWZOM-QHCPKHFHSA-N 429.516 4.708 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc(Cl)cc(Cl)c2)cc1 1862667672 HUSSFMYMPJGHPC-IBGZPJMESA-N 434.319 4.687 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H](C)c2ccccc2)ccc1O 1862677463 FMBGGCWDFQKLRI-IQMFZBJNSA-N 447.462 4.879 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1 1862680612 GNRBANHGALCLJD-SGTLLEGYSA-N 432.289 4.965 30 10 IJEE N#Cc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cc(F)ccc3F)C2=O)cc1 1862948567 VETRGPAIYQXWQD-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE COc1ccc(C)cc1NC1=C(c2ccc(F)cc2F)C(=O)N(c2ccccc2C#N)C1=O 1862952918 CQWZWGOJARLONX-UHFFFAOYSA-N 445.425 4.550 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)C3CCCCC3)cc2)=C(c2cccs2)C1=O 1863479874 HWHFTDOPTXDCBA-UHFFFAOYSA-N 435.549 4.645 30 10 IJEE C=CCNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N([C@@H](C)c2ccc(OC)cc2)C1=O 1863635433 GDCZUCLOPDGMAL-ZDUSSCGKSA-N 431.319 4.619 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1cccc(C)c1 1864858908 VASVIHMJPUIKOK-NRFANRHFSA-N 438.616 4.852 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCOc2ccccc2)n(-c2ccc(Cl)cc2)n1 1870002572 PPADMMDGHLPHPC-UHFFFAOYSA-N 437.931 4.507 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)cc2Cl)c1NC(=O)/C=C\c1ccc(Cl)cc1 1870107570 OOGMVXGOUOJWLT-BAQGIRSFSA-N 432.698 4.810 30 10 IJEE Cc1cc(Br)ccc1-n1nnc(C#N)c1NC(=O)c1cccc2ccccc12 1870152611 BFHBYVSCFOQPNZ-UHFFFAOYSA-N 432.281 4.615 30 10 IJEE Cc1ccsc1C(=O)Nc1c(C#N)nnn1-c1ccc(OCc2ccc(Cl)cc2)cc1 1870153401 RNFVVQUXQQMQQM-UHFFFAOYSA-N 449.923 4.994 30 10 IJEE N#Cc1nnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1cc(Cl)ccc1Cl 1870153586 AVILMLNJLNZYOC-UHFFFAOYSA-N 426.185 4.717 30 10 IJEE CC(=O)Oc1ccc(C(=O)Nc2c(C#N)nnn2-c2cc(C(C)C)cc(C(C)C)c2)cc1 1870154250 ULBGGRGAHNESNL-UHFFFAOYSA-N 431.496 4.563 30 10 IJEE N#Cc1nnn(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1NC(=O)c1cccc(F)c1 1870158775 OBTAXOYFMXGYRM-UHFFFAOYSA-N 447.857 4.763 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CSc1ccc(C)cc1 1870198053 PEUPDLGQBJTJMN-UHFFFAOYSA-N 434.561 4.961 30 10 IJEE C=CCOc1cn(CCCN(CC)CC)c(CNc2cccc(Br)c2)cc1=O 1870810961 AHFQEACRIVAFQV-UHFFFAOYSA-N 448.405 4.520 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CNc1ccc(C)cc1C 1871237694 YANIRSCYNMPJMX-UHFFFAOYSA-N 445.563 4.898 30 10 IJEE Cc1cc(OCC(=O)Nc2ccccc2)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 1871460113 WHUVBCJSIPMRNR-MTJSOVHGSA-N 430.416 4.537 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(C)C)S(=O)(=O)c1ccccc1 1871806743 GMMPMYHDKVBGPM-LJQANCHMSA-N 440.487 4.545 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C)S(=O)(=O)CC 1872145105 UJOWNAAZVJVYAH-QFIPXVFZSA-N 429.586 4.621 30 10 IJEE COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cc(C)ccc3C)n2)c(OC)c1OC 1872787941 BIYARRGCWURXBA-SFHVURJKSA-N 436.533 4.872 30 10 IJEE C=CCSc1nnc(CCc2ccc(OCC)c(OC)c2)n1/N=C/c1cccs1 1874202133 MLIDBIROUUJDQM-PXLXIMEGSA-N 428.583 4.692 30 10 IJEE C=CCOc1ccccc1OCc1nnc(SCCC)n1/N=C/c1cccc(OC)c1 1874228590 QGGHXJYBTQRCDN-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE CCCCOc1ccc(/C=N/n2c(Cc3ccc(C)c(C)c3)nnc2SCCO)cc1 1874360428 GJPMDQYIYIWKRM-KOEQRZSOSA-N 438.597 4.631 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(O)c(OCC)c1 1874379832 OSCVRFXZQRVGCE-ZMOGYAJESA-N 426.517 4.663 30 10 IJEE O=C(O)c1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 1874416917 ORQXXUSIYLMMLW-CVKSISIWSA-N 446.507 4.881 30 10 IJEE C=C(C)CSc1nnc(-c2cccs2)n1/N=C/c1cc(OC)c(OC)cc1OC 1874422581 UGWXAGKUOLOTTC-SRZZPIQSSA-N 430.555 4.583 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)C)n1/N=C/c1c[nH]c2ccccc12 1874489324 LRKJTIFSDURWEH-VULFUBBASA-N 446.580 4.879 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3F)nnc2C(C)C)cc(OC)c1OC 1874513765 OSTQJDXMDLIBHL-WYMPLXKRSA-N 444.532 4.741 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(CC)n2/N=C/c2c(F)cccc2Cl)cc1 1874523928 OZOGWPGFTXQIFW-WYMPLXKRSA-N 445.951 4.808 30 10 IJEE CCCCOc1ccc(/C=N/n2c(C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 1874530666 UYAVQLKKUYIWRQ-ZVHZXABRSA-N 441.532 4.518 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1875117521 JMMOPEDQJWJADK-ONNFQVAWSA-N 436.351 4.757 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2c(OC)cc(/C=C/C(=O)c3ccccc3)cc2OC)c1 1875127534 KTAROICKKMYIQO-ZHACJKMWSA-N 448.471 4.836 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N(CC)CCc1ccncc1)n2C 1875198130 WDQSOWVVQJHODC-UHFFFAOYSA-N 436.604 4.841 30 10 IJEE O=C(Cc1cc(F)ccc1C(F)(F)F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1892183165 WSEGMVKVZMJQAO-UHFFFAOYSA-N 434.355 4.755 30 10 IJEE CCCN[C@@H](C#Cc1nc(CC)cs1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 1900958469 FUZGZNJKHXMDCQ-NRFANRHFSA-N 427.614 4.863 30 10 IJEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(Cc1ccccc1)Cc1ccco1 1915089937 FNFWQOAZLFCKND-UHFFFAOYSA-N 433.357 4.790 30 10 IJEE COCC(C)(C)N(Cc1ccccc1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 1915625547 PVIQNHGUSBSZSI-UHFFFAOYSA-N 427.369 4.552 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCC)c1cc(C)cc(Br)c1F 1926714013 ZCKNNRPPTKBQQY-FUHWJXTLSA-N 427.358 4.854 30 10 IJEE Cc1cc(C#N)ccc1[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 1952854112 PZYDXIRNYKINDC-SQHAQQRYSA-N 438.483 4.705 30 10 IJEE CC(C)(C)OC(=O)N(Cc1cccs1)[C@@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1955667303 WCUWOEUDIVKMEO-AUSIDOKSSA-N 441.553 4.836 30 10 IJEE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(c2ccc(C#N)c(Br)c2)C1 1965600640 GNGYTFWMOKIPDC-HNNXBMFYSA-N 444.320 4.792 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 1998068882 ZUTHEUCTYCFGIU-VXKWHMMOSA-N 432.605 4.542 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]2CCN2C(=O)OC(C)(C)C)c1 1999884386 UAOUQOSXEFINBR-WZONZLPQSA-N 431.533 4.728 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1 2053612393 FRRCCAZTSLGYGQ-UHFFFAOYSA-N 445.471 4.728 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2077975068 GFSRCYWWEUVBRM-RJGXRXQPSA-N 446.632 4.524 30 10 IJEE CCc1nn([C@@H](c2ccc(C)cc2F)C(C)(C)C)c(I)c1/C=N/O 2079050513 RXCBPTOXKLXIGY-CTJICSLTSA-N 443.304 4.941 30 10 IJEE CCc1ccc([C@H](C2CC2)n2nc(C3CC3)c(/C=N/O)c2I)cc1 2079080283 GZJQOQJBICXEIT-PGNNWUFWSA-N 435.309 4.735 30 10 IJEE CCc1nn(-c2ccc(C(F)(F)F)c(F)n2)c(C(F)(F)F)c1C(=O)OC(C)(C)C 2079235171 PHNWMGWLFUXBSJ-UHFFFAOYSA-N 427.320 4.962 30 10 IJEE CCCc1ccc([C@H](C)n2nc(C(F)(F)F)c(C#N)c2I)cc1 2079903775 KBZBJPZFEYVZOF-JTQLQIEISA-N 433.215 4.940 30 10 IJEE Nc1c2c(nc3c(-c4ccc(F)c(C(F)(F)F)n4)c(C(F)(F)F)nn13)CCCCC2 2081311830 VGOXEAVELMYSSK-UHFFFAOYSA-N 433.331 4.819 30 10 IJEE CC[C@@H](C)[C@@H]1CSC(=Nc2ccc(Br)c(I)c2)N1 2081319676 QLMPFFFJNAIBEU-PELKAZGASA-N 439.160 4.792 30 10 IJEE Cc1cc(Cl)c(Br)cc1NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2082756253 PRUOXVPPBRKYSS-UHFFFAOYSA-N 429.742 4.656 30 10 IJEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)c(Br)c1 2181045035 KYQXBNURBSVCNK-AWEZNQCLSA-N 438.366 4.836 30 10 IJEE N[C@H](C#Cc1sc(Br)c(Br)c1Br)C1CCC1 2212189531 MAIQGYNFMCWPBV-SSDOTTSWSA-N 427.987 4.515 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C 2235732910 SRTPLLDZWYMMBM-AHRSYUTCSA-N 437.422 4.964 30 10 IJEE C#CC[C@H](CC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2237412622 SDMKCXGEZVGTBU-MJGOQNOKSA-N 434.374 4.894 30 10 IJEE CC(C)(C)OC(=O)Nc1ccccc1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255604609 MHXXDJKXJWUFFC-UHFFFAOYSA-N 430.354 4.522 30 10 IJEE CCc1nc(C(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255642976 OAEOMCMPVOISNB-QGZVFWFLSA-N 442.434 4.692 30 10 IJEE O=C(C#Cc1ccccc1Cl)c1cc(Br)ccc1I 2277778246 RTWGWQLKEOZLOS-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@@H](C#N)CC23CC3)c1 2288479451 YMVHYCNXYMRPBK-CYBMUJFWSA-N 434.334 4.704 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1C[C@@H]1[C@H](C)NC(=O)OC(C)(C)C 2296221606 KCOUTPDNKHYKBC-YGWPLHOASA-N 435.406 4.718 30 10 IJEE Cc1ccc([C@@H]2C(=C(O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)o1 2296247574 GPMBIALFYZEGMB-WAIKUNEKSA-N 429.472 4.533 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2296272156 JAFPZPGIZSNIOF-RNQOJCNYSA-N 433.390 4.567 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)C[C@H](CNC(=O)OC(C)(C)C)C(F)F 2296296481 OFIHTZMTWJCGAI-WBVHZDCISA-N 445.348 4.575 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C 2296303468 WOVCIOBEOXTPLZ-IRXDYDNUSA-N 445.348 4.717 30 10 IJEE COc1ccc([C@@H]2C(=C(O)c3cc4ccccc4o3)C(=O)C(=O)N2c2nccs2)cc1 2296589011 PTIIHZGVJZQKFD-LJQANCHMSA-N 432.457 4.524 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2304626993 XOAISACPNBRKEQ-TYBLODHISA-N 428.573 4.555 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 2305322390 KUPFLAXMXHTJTE-VWLOTQADSA-N 428.573 4.842 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 2314429479 IENASBJGFMNBFI-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(Br)o2)SC1=Nc1cccc(C(=O)O)c1 2314547065 CAZLKYAQWDKEJY-UHFFFAOYSA-N 433.283 4.530 30 10 IJEE CC#CCN(C[C@@H](O)Cc1cc(Cl)c(C)c(Br)c1)C(=O)OC(C)(C)C 2316053546 DWGFKPHBBQIEQG-HNNXBMFYSA-N 430.770 4.575 30 10 IJEE CCCOc1ccccc1C=Nn1c(C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 2321106720 WLSNUUSPEDWMFT-UHFFFAOYSA-N 437.569 4.605 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2[C@H]2CCCO2)cc1OCc1ccc(Cl)cc1 2321884143 ZWDHFBRRQHKWHL-GOSISDBHSA-N 444.944 4.542 30 10 IJEE C=CCNC(=O)[C@@H](CCCC)NC(=O)C=Cc1ccc(OCc2ccccc2Cl)cc1 2323197083 KLCYIGICIGIFGY-HSZRJFAPSA-N 440.971 4.909 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c(Br)c2)c1 2323486515 FJIZGMAJKZWASJ-UHFFFAOYSA-N 447.325 4.932 30 10 IJEE O=C(COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)NC1CCCCC1 2323675858 VNERIMJAOVTHCV-UHFFFAOYSA-N 442.899 4.972 30 10 IJEE COc1cc(C=Nn2c(CCc3cccc4ccccc34)nnc2SC)cc(OC)c1O 2326559414 HSCSUIYSEQUKQP-UHFFFAOYSA-N 448.548 4.543 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1c(O)ccc2ccccc12 2326819223 RQYIFLLKGCZXMM-UHFFFAOYSA-N 433.493 4.782 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC(C)C)o2)n1N=Cc1cccc(F)c1 2326878607 JSBNUKHVLFIROP-UHFFFAOYSA-N 430.505 4.702 30 10 IJEE Cc1ccc(CSc2nnc(COCc3ccccc3)n2N=Cc2cccn2C)cc1 2329302713 SPOKZXLFWZOFDW-UHFFFAOYSA-N 431.565 4.816 30 10 IJEE C=C(C)CSc1nnc(Cc2ccc(C)c(C)c2)n1N=Cc1ccc2c(c1)OCCO2 2329422014 ACRNRTOOZTWCMM-UHFFFAOYSA-N 434.565 4.807 30 10 IJEE C=C(C)CSc1nnc(CCCC)n1N=Cc1cc(Br)c(O)c(OC)c1 2331337682 QTXFHFALMUZNNR-UHFFFAOYSA-N 439.379 4.648 30 10 IJEE CCCOc1c(Br)cc(C=Nn2c(SC)nnc2C(C)(C)C)cc1OC 2331358744 JPGKXVGEMUNUGB-UHFFFAOYSA-N 441.395 4.740 30 10 IJEE Cc1ccccc1C=Nn1c(SCc2nc(O)c3ccccc3n2)nnc1C(C)(C)C 2331402742 MHWMEVRGCITKSK-UHFFFAOYSA-N 432.553 4.707 30 10 IJEE CCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N=Cc1c[nH]c2ccccc12 2331663872 CHOJDACNNHFHOF-KRWDZBQOSA-N 446.580 4.564 30 10 IJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(Br)ccc1I 2339573216 UFWDSGRFWCODMG-ABAIWWIYSA-N 432.143 4.754 30 10 IJEE C[C@H]1C[C@H](COc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2339601833 BORRVTUMTGLPRW-HKUYNNGSSA-N 444.381 4.751 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C(=O)C#Cc3cccc(Br)c3)C[C@H]21 2360196772 XGLCEBXUODZXSB-QLDGJZPUSA-N 430.342 4.548 30 10 IJEE CC(C)(C)C#CC[C@@H](OCC(=O)O)c1sc(Cl)cc1I 2366710476 QCNYPKYIKQKNRZ-SNVBAGLBSA-N 426.703 4.588 30 10 IJEE CC(=NO)c1ccc(OCc2ccc(I)c(Br)c2)cc1 2377321457 MPGHAVDOJIAAJN-UHFFFAOYSA-N 446.082 4.831 30 10 IJEE CC1(C)C[C@](Nc2ccc(Br)c(C#N)c2)(C(=O)O)[C@@H]1OCc1ccccc1 2378357448 SMLBCTNQRKJVBA-WIYYLYMNSA-N 429.314 4.571 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OCCC)c1 8905107 AKDCBVNCBIRMDG-UHFFFAOYSA-N 449.370 4.930 30 10 IJEE C=CCn1c(SCC(=O)N(C)CCCC)nc2scc(-c3ccc(C)cc3)c2c1=O 8950519 AGOIJGPTPSUTLX-UHFFFAOYSA-N 441.622 4.970 30 10 IJEE C=CCOc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14659731 ARIHOKLTXUPFOB-UHFFFAOYSA-N 449.370 4.928 30 10 IJEE COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(Br)ccc2F)c1 21258049 PECVHFJSIWWJAH-DYVFJYSZSA-N 444.300 4.601 30 10 IJEE COc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)N(C)C)cc1 72041243 DLTUZVVJRSTVHF-DEOSSOPVSA-N 430.508 4.784 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)COc3ccc(Cl)c4cccnc34)s2)cc1 97466420 ZTADWZKXBCQWQV-UHFFFAOYSA-N 434.908 4.825 30 10 IJEE CCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)cc1 100153368 CWGQVJAUJJAIBY-UHFFFAOYSA-N 432.586 4.976 30 10 IJEE CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(Br)cc2)C1=O 100209305 NYAKYPTZYBJDSV-FOWTUZBSSA-N 430.323 4.993 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)[C@@H]2c2ccccc2OC)cc1C 169940261 MQWBURBPBZXFGH-HSZRJFAPSA-N 447.462 4.934 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@@H]2c2cccc(C)c2)cc1 169973260 PQUOABKBCYXMBM-JOCHJYFZSA-N 439.471 4.663 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)c(F)c3)[C@@H]2c2cccs2)cc1 169983970 PVOBSXKBUNAVFU-LJQANCHMSA-N 427.428 4.818 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc3ccccc23)cc1 170044936 PWNCVFNQLWVSGM-YKSBVNFPSA-N 443.499 4.606 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccco2)c1 170090209 MDGZIWDKGFKDRI-JOCHJYFZSA-N 433.460 4.697 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C)c4)[C@@H]3c3cccnc3)oc12 170185745 XRCODBBIWJJJIZ-JOCHJYFZSA-N 440.455 4.928 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2C)[C@H]1c1ccncc1 170203085 FJSCNCMBXJOOGQ-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccncc2)cc1C 170204565 YIJRSECHVVPAGL-HSZRJFAPSA-N 428.488 4.880 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1 170234334 LNEYGWMTIFOZBZ-HSZRJFAPSA-N 431.463 4.921 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3cccc(OC(C)C)c3)=C(O)C(=O)N2Cc2ccccn2)o1 170307220 QWJSDILOLPBQGA-JOCHJYFZSA-N 432.476 4.549 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(NC(C)=O)c2)cc1 170393647 LUKDZUURMVKLCP-DEOSSOPVSA-N 440.499 4.990 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1)c1ccco1 170422058 DSNIWORKVAKNES-HXUWFJFHSA-N 425.843 4.893 30 10 IJEE CC(C)(C)C(=O)C1=C(O)C(=O)N(c2nc3ccc(C(=O)O)cc3s2)[C@H]1c1cccs1 170478009 FWEVPGULHSDFMN-HNNXBMFYSA-N 442.518 4.571 30 10 IJEE C=CCn1c(SCc2cn3ccsc3n2)nnc1-c1ccc(Br)cc1 216619900 SMGXHIYTEIVCEP-UHFFFAOYSA-N 432.372 4.895 30 10 IJEE O=C(OCCCCSc1nnc(N/N=C/c2ccc(Cl)cc2)[nH]1)c1ccccc1 253569826 MVJRJVXCBSWAQK-HYARGMPZSA-N 429.933 4.633 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 505057075 GNBAFYJDRRLFLC-UHFFFAOYSA-N 431.458 4.814 30 10 IJEE C[C@@H](NC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)c1ccc(-c2cccc(C#N)c2)cc1 576773209 IFRUXVUOIYRKSN-GFCCVEGCSA-N 444.438 4.516 30 10 IJEE Cc1ccc(CCCC(=O)N[C@H]2CCN[C@@H](C(=O)/C=C/c3cccc(OC(C)C)c3)C2)cc1 585838299 FWLGOHDLFGNHEX-NQJNDEHDSA-N 448.607 4.624 30 10 IJEE C=CCCN(c1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 586251824 FPXOVSPEEPQHFW-UHFFFAOYSA-N 441.641 4.507 30 10 IJEE COc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(C(F)(F)F)n1 669991342 MXXMRULYILKTEO-HTQZYQBOSA-N 439.278 4.704 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698350505 KJNNNIBPWJSVTG-XMMPIXPASA-N 427.545 4.861 30 10 IJEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1c(C)cccc1C 733198313 VCYKLJISENVBII-OAQYLSRUSA-N 433.577 4.904 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)ccc1OC 741187515 FKMMUIQNPSKMHA-KBAYOESNSA-N 448.441 4.695 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2Oc2ccccc2Cl)n1 788557629 MAAYDRPRLKQZIT-UHFFFAOYSA-N 438.915 4.643 30 10 IJEE CC(=O)C1=C(c2ccc(Br)cc2)NC(=S)N[C@H]1c1ccc2ncccc2c1 839974449 SPGZEYRECICGSI-FQEVSTJZSA-N 438.350 4.516 30 10 IJEE C=CCOc1cccc(NC(=O)c2cc(Cl)c(I)cc2OC)c1 1125353556 VERHVSPVSQXIBZ-UHFFFAOYSA-N 443.668 4.770 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(F)ccc(Br)c2OC)cc1 1125465601 CMKQYDGRUXDSAO-UHFFFAOYSA-N 447.304 4.663 30 10 IJEE C#CC[C@]1(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CCCN1C(=O)OC(C)(C)C 1128781641 DGERWVQYNFAGIX-SQJMNOBHSA-N 446.538 4.868 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4ccc(C(C)(C)C)cc4)CC3)cc2C1=O 1129171484 DGAWSPFQWPNXRL-UHFFFAOYSA-N 430.548 4.786 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 1157520564 BOYCUTOCIQXKST-IBGZPJMESA-N 438.490 4.751 30 10 IJEE C=CCOc1c(Br)cc(CNCCN2CCCc3ccccc32)cc1OC 1177519401 BVHJICUKJCSIDP-UHFFFAOYSA-N 431.374 4.565 30 10 IJEE CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@](C)(C(F)(F)F)O1 1214623162 BYMDVMOPHCQHGT-HXUWFJFHSA-N 434.418 4.709 30 10 IJEE C#CCN(C(=O)[C@@H](CC)OC1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 1265209823 JSXUYIGSTUJMHY-VQTJNVASSA-N 434.374 4.862 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(CN(C)C(C)C)CC1 1286343283 JUWGQEYAEBUDND-UHFFFAOYSA-N 444.023 4.577 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCC1CCOCC1 1286437969 PSKHPTHSVLIEFV-SFHVURJKSA-N 426.630 4.798 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1c(F)cccc1F 1286528455 BGOMKIIJJONZQB-IOZGHAEBSA-N 442.554 4.710 30 10 IJEE C=C(Br)Cn1c(CC(C)C)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1286541992 PULHSCLMHINMQR-UHFFFAOYSA-N 436.354 4.708 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(CC)CC 1286552355 QDLHMECAROGXDU-PKOBYXMFSA-N 433.394 4.843 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286666022 BTNWZHJWHVLXBY-NRFANRHFSA-N 442.604 4.816 30 10 IJEE C=CCCOCCn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@@H](C)S[C@H](C)C1 1286708998 VUBIVKCAZDYPES-RTBURBONSA-N 437.613 4.725 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1cnc(C)s1)C1CC1 1286733566 FGNULVVYNVCYEW-UHFFFAOYSA-N 430.375 4.676 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCSC1 1286745376 VHRXDPMZOHEEIZ-FQEVSTJZSA-N 439.654 4.970 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCO[C@@H](C)C1 1286746880 HGJQEVSBJFOUFC-PMACEKPBSA-N 435.547 4.795 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1Cc1nc(C(F)(F)F)cs1 1300286937 QHMNJKUBRPJICC-NSHDSACASA-N 425.867 4.580 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CC1(CC)CCOCC1 1300813757 QJEXZEOKBQMUPB-RUZDIDTESA-N 436.600 4.673 30 10 IJEE C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1300843536 GGHCAYZTTUHAEX-GOSISDBHSA-N 431.378 4.847 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCCCCC1 1300892754 VFFOKIZHYHUKEX-WIOPSUGQSA-N 438.616 4.824 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1300944555 WWGAFOFYSQDADO-XLIONFOSSA-N 443.567 4.790 30 10 IJEE C=CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(OC)C1)c1ccccc1 1301166576 XKWFTABPMUNXEY-BVAGGSTKSA-N 431.584 4.629 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)=C(C)C1 1301221114 HNNCZISCXBHDLN-HXUWFJFHSA-N 429.609 4.905 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@](C)(O)c1ccsc1)C1CC1 1301330910 ZHMLRXMJRWHAKU-JOCHJYFZSA-N 428.989 4.646 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CC2)n1Cc1cccc(Br)n1 1301365448 PRMBKPCDGYBGTC-UHFFFAOYSA-N 444.402 4.691 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(Br)cc2C1 1301474617 CTKHAHCJNVZMJJ-RTBURBONSA-N 445.405 4.708 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCOC2CCCCCC2)C1 1301553340 KGSAMWBMWKCUJB-HXUWFJFHSA-N 428.552 4.605 30 10 IJEE C=CCn1c(SCc2cc(C)c(I)cc2C)nnc1C1CC1 1307262045 GAGUDKGAGGBLHW-UHFFFAOYSA-N 425.339 4.855 30 10 IJEE C#CC[C@H]1CCCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)C1 1307871400 BDKSZCQUAGOEJB-INIZCTEOSA-N 444.984 4.919 30 10 IJEE C=CCN(Cc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1308611094 KSMSRYNYNHHXCF-MRXNPFEDSA-N 427.900 4.586 30 10 IJEE C=CCC1(CNC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)CCCC1 1312689093 RHDGNMAEBOANRE-GOSISDBHSA-N 425.342 4.808 30 10 IJEE C=CCCCCCCCNC(=O)NCc1c(Br)cncc1Br 1312735642 MWCABYAUCNCWHK-UHFFFAOYSA-N 433.188 4.932 30 10 IJEE C=CC1(CC(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CCCCC1 1357553891 YECAAAKEOXADBP-UHFFFAOYSA-N 436.575 4.690 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1CC(=O)Nc2ccccc21 1358207310 CUZSIKASJPFAKD-AWEZNQCLSA-N 431.305 4.619 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1csc(CCc2ccccc2)n1 1359011889 QCUWQHMFYFDLSR-UHFFFAOYSA-N 447.633 4.680 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(OCCC(C)C)CC1 1359096597 DUXRKOJWIJYADN-GMAHTHKFSA-N 430.637 4.948 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCc2ccccc2C1 1359113104 ZVWJZZJOILWMGP-QHCPKHFHSA-N 437.632 4.759 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359145133 GUYOZDJEFWOFCQ-DGCLKSJQSA-N 443.798 4.525 30 10 IJEE C=C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cccc(C(F)(F)F)n2)CC1 1359166102 GHLYACJWONNKNK-UHFFFAOYSA-N 427.474 4.796 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2C(F)(F)F)CC1 1359179662 ANZXIFZPYQHIQJ-UHFFFAOYSA-N 441.501 4.928 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC[C@@H]1C 1359196279 BDZHFEVIJJFIPQ-ICSRJNTNSA-N 426.561 4.529 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CCc1csc(CC)n1 1359263006 MZDIHMUFGZFRPQ-UHFFFAOYSA-N 438.626 4.799 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@H](C(C)(C)C)C2)cc1 1359308058 CDLYVQPCGJSQOG-OAQYLSRUSA-N 431.584 4.749 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)c2nc(C)cs2)C1 1359322760 BPVMATXGJVZDLY-GHTZIAJQSA-N 437.613 4.527 30 10 IJEE C#CCN(C(=O)c1cccc(F)c1SC)[C@@H]1CCOc2ccc(Br)cc21 1360310351 FXJSTJAYBWAHJH-QGZVFWFLSA-N 434.330 4.909 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1c(F)ccc(I)c1Cl 1360321953 WRTFOMYOYXEBTD-UHFFFAOYSA-N 445.659 4.579 30 10 IJEE C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(OC)c(Cl)c2)CCC3)nc1 1435948970 PLEOEKZRKWAJPJ-UHFFFAOYSA-N 436.920 4.758 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)CSCC(=O)c2ccc(Cl)cc2)nc1 1436866115 GISMTCNACPUSCW-UHFFFAOYSA-N 435.936 4.756 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)cc(I)c1 1437612669 AWSCQEBGCJEJSB-IAQYHMDHSA-N 448.142 4.918 30 10 IJEE C#CCN(C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1CCCC)C1CSC1 1469997100 ZESOUWQFAVOBNV-UHFFFAOYSA-N 441.544 4.525 30 10 IJEE C#CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 1475860349 MNPARNYPZNFNKR-HSZRJFAPSA-N 439.581 4.526 30 10 IJEE CC1(c2cccc(CNC(=O)Nc3ccc([C@@H](C#N)c4ccccc4)cc3)c2)OCCO1 1475950269 GLPUDEIMTXWEKJ-DEOSSOPVSA-N 427.504 4.883 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCC[C@@H]1OC 1507518994 OWJZSVXQZURIFY-VNZMSGEBSA-N 431.584 4.626 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)c1ncc(C)s1 1507520865 HJZQRBIULRMPCT-ZIAGYGMSSA-N 431.512 4.573 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N1CCO[C@H](c2ccccc2Br)C1 1507566100 BYLLZLRZCBJXKH-FQEVSTJZSA-N 445.405 4.621 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)CC)n1CCOc1ccc(Cl)cn1 1507700989 WRPSFJNZVDXLOJ-KRWDZBQOSA-N 441.938 4.698 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccco1)C(C)C 1507793692 FOCJXQZKVPGATB-JTHBVZDNSA-N 431.540 4.806 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1507827028 OUFVKRPCOBLUHE-OAQYLSRUSA-N 437.632 4.951 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507827416 OFRTWVFQRJZEME-MRXNPFEDSA-N 448.398 4.571 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC2(CCC2)C[C@@H]1CC 1507856982 NCEDXVDQAJEOFS-KRWDZBQOSA-N 446.979 4.882 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCSc2nccs2)CC1 1507892093 KMDGSYSYLNNHIF-UHFFFAOYSA-N 445.589 4.792 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(C)C)C(=O)C1 1507913381 XZGVRSBNDBICAV-UHFFFAOYSA-N 429.996 4.505 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@](C)(CC)C1 1507958620 GSKNCTMUILRRSB-XMMPIXPASA-N 444.645 4.874 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(CC)CCCC1 1507979183 OVUSAERANWXBMC-LJQANCHMSA-N 431.625 4.985 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1508013945 TXWHOLVUXAZYPU-FQEVSTJZSA-N 437.588 4.771 30 10 IJEE C=CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC[C@@H](OCCOC)C1 1508050531 IAVGJIWTKFSRJG-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1508150341 CQASYYPNXPWLSL-PKOBYXMFSA-N 428.602 4.650 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccc(C(F)(F)F)cc1 1519590970 ZVUBEBBGZZJAIW-GOSISDBHSA-N 445.416 4.828 30 10 IJEE O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)[C@H](F)c1ccc(C(F)(F)F)cc1 1523465573 HFESYMPGKFFRJJ-GDBMZVCRSA-N 448.338 4.657 30 10 IJEE C=CC[C@@H]1N(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CCCC1(C)C 1524695244 AJCJJUAFQRWGAQ-QHCPKHFHSA-N 446.547 4.698 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1525739091 VNFVZRHAPCJKHB-QHGDMDKLSA-N 445.625 4.856 30 10 IJEE C=CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1ccccc1 1529949139 HQSSSVQSCFHYKY-QHCPKHFHSA-N 426.582 4.796 30 10 IJEE C#CCOCCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 1532380491 AMSRUWSRFOCOSB-UHFFFAOYSA-N 436.377 4.750 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@]2(C)CC2(C)C)c1 1533093606 HSHZBZIPJOHIMZ-JOCHJYFZSA-N 432.973 4.640 30 10 IJEE CCCc1c(C(=O)Nc2cc(OC)c(C#N)cc2F)nnn1-c1ccc(C(C)(C)C)cc1 1533716642 AKYLSUCEJJVUBH-UHFFFAOYSA-N 435.503 4.789 30 10 IJEE CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1533955798 DKUBNIVHCJAYCO-AWEZNQCLSA-N 429.879 4.520 30 10 IJEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1535941040 BFMGXGVSWOHBIN-NTCAYCPXSA-N 445.441 4.762 30 10 IJEE C=C1CCC(C(=O)N2C[C@@H](C[C@H]3COCCN3C(=O)OC(C)(C)C)c3ccccc32)CC1 1536018694 VDUTWYQAUZDYDW-RTWAWAEBSA-N 440.584 4.889 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1536226578 QMXIKNVSUAOZQC-GDNBJRDFSA-N 426.398 4.744 30 10 IJEE C=CCCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1537360175 RTGZQEMTFGWCBC-UHFFFAOYSA-N 447.000 4.515 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@@H]1CC 1539250619 PVITVFRZDWGTIZ-DLBZAZTESA-N 443.364 4.746 30 10 IJEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(COCC(F)(F)F)cc1 1539376706 CXKHIPHPLBFZGJ-UHFFFAOYSA-N 434.506 4.598 30 10 IJEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](SC)C(C)(C)C 1539383575 GECGBLRAVDVKRX-ROUUACIJSA-N 449.665 4.587 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(CC)C1CCCC1 1539638395 YYCWQIIQDYDSAI-HXOBKFHXSA-N 430.543 4.897 30 10 IJEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 1539823308 AAFIHGAYGAHTDC-JKSUJKDBSA-N 443.748 4.792 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1539888620 SPJKQQBAVYXFBB-RBBKRZOGSA-N 427.593 4.598 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 1540007255 LUTWZSADYIADOP-UHFFFAOYSA-N 433.400 4.551 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2C)n1Cc1ccc(C)n(C)c1=O 1540139826 FYGXGSXGNNYUGC-UHFFFAOYSA-N 445.592 4.563 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1540163877 AXUJZYYQWWKFNC-SFHVURJKSA-N 432.425 4.535 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC=C(C(F)(F)F)CC2)cc1 1540878501 YSFNZMVKGAJVTP-UHFFFAOYSA-N 429.446 4.585 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2C(F)(F)F)C1 1540893442 DAYWTFKUPJNEQC-GOSISDBHSA-N 448.514 4.779 30 10 IJEE C=CCSCCn1c(CC)nnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 1540918399 QFSMFXKJFQRUKR-UHFFFAOYSA-N 431.993 4.938 30 10 IJEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)CC1 1541709443 DIWJKSCPBQXGCB-UHFFFAOYSA-N 438.620 4.522 30 10 IJEE C=CCOc1cccc(NC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)c1 1542283425 FUSGAOKZTBCWQP-UHFFFAOYSA-N 434.583 4.566 30 10 IJEE C=CCN(CC(=O)Nc1cc(Cl)ccc1OC)Cc1cc(Br)ccc1F 1559517873 BOLYZZQCQWJDOX-UHFFFAOYSA-N 441.728 4.877 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 1564563984 RKOSZXPAKXLIKU-NRFANRHFSA-N 439.943 4.764 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)c1ccc(F)cc1 1564996380 WDKFKGZPOAWMHL-PMACEKPBSA-N 430.321 4.549 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(C)CCCS1 1587563250 ZIJCXRKKWBPGJC-IUKKYPGJSA-N 428.602 4.560 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1Cc1nc(C(C)(C)C)cs1 1587603976 QUJMOHBHCZKVRD-MRXNPFEDSA-N 430.581 4.754 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCOCCC=C 1589177531 KHNWVMOYLBEXOH-JOCHJYFZSA-N 443.389 4.601 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Cl)n1CC(F)(F)Br 1589192367 QVLNHYDCURMOTI-MRXNPFEDSA-N 429.696 4.578 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1589367227 QQCPOQUIERARRW-OAQYLSRUSA-N 449.393 4.504 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCC1CCOCC1 1589515167 LTYAVBHXILYSDY-KNQAVFIVSA-N 445.007 4.833 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)Cc1nccs1 1593718026 OBVYGDHNYMTHPW-UHFFFAOYSA-N 438.384 4.938 30 10 IJEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1593757651 LAXAENCCOQEMPD-WIYYLYMNSA-N 437.613 4.609 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@](C)(O)C(C)C)CC1 1594128633 SUUCMEDQAVUJIO-VWLOTQADSA-N 426.605 4.852 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](OCCOC)C1 1594477522 FMNHGBSYRGRWRC-SFHVURJKSA-N 432.996 4.833 30 10 IJEE C=CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](c2cnn(C)c2)C1 1594573508 SLPSSFIIGFYJIA-MOPGFXCFSA-N 438.551 4.641 30 10 IJEE C=CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1594687059 CSJDSLVMRIEHGK-RUZDIDTESA-N 434.588 4.943 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCO[C@H]1C(C)C 1595196308 PINGPRFMHVVOMH-PXNSSMCTSA-N 445.405 4.947 30 10 IJEE C=CCOc1ccc(Cn2c(N(C)[C@@H]3C[C@H](OCC)C34CCC4)nnc2C(C)(C)C)cc1 1595639747 JCIRDRLWPIVWOF-YADHBBJMSA-N 438.616 4.973 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1595659017 QNPLYSSUHQKPHC-JOCHJYFZSA-N 448.615 4.826 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595860619 RVOKHVVZXOIFDI-HXUWFJFHSA-N 437.613 4.664 30 10 IJEE C=CCn1c(SCCCCC2(C)OCCO2)nnc1-c1ccc(Br)cc1 1613307918 NJDZDESQOSTNGQ-UHFFFAOYSA-N 438.391 4.919 30 10 IJEE CCCN1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C#N)CC2)C1 1614812680 FAHQPFGRQGKHEJ-KRWDZBQOSA-N 447.414 4.724 30 10 IJEE C=CCN(Cc1nc2cc(Br)ccc2o1)[C@H](Cc1ccccc1)C(=O)OCC 1617225891 ZVURHVXEEVIZMB-LJQANCHMSA-N 443.341 4.753 30 10 IJEE COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc(F)c(C#N)c(F)c1)CC2 1623894775 BISXXUBOJDWCLN-JOCHJYFZSA-N 440.471 4.703 30 10 IJEE C=CCn1cc2ccc(NC(=O)NC3(c4cc(Br)ccc4OC)CC3)cc2n1 1627664694 YQNJBDJITZWMBO-UHFFFAOYSA-N 441.329 4.804 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C)C(C)C 1628249118 LIMYVXVQYZQTBI-GSPCLOLRSA-N 447.664 4.760 30 10 IJEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 1633423805 FEHJVEOHPKNPFM-XZOQPEGZSA-N 448.567 4.865 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2)C(=O)OC 1634883723 BVAKIBBGOXBGRW-FQEVSTJZSA-N 440.565 4.507 30 10 IJEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 1638264050 CCEUFTBWPFCGPI-NQIIRXRSSA-N 434.536 4.985 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC2(CC(OC)(OC)C2)[C@@H]1C(C)C 1639362108 PUHUQQMOMJAYDV-SFHVURJKSA-N 427.463 4.520 30 10 IJEE C=CCn1c(SC/C(C)=C/C(=O)OC)nc2sc(-c3ccccc3)c(C)c2c1=O 1640819966 NVYJZIJJMCPNRO-WYMLVPIESA-N 426.563 4.831 30 10 IJEE C#CCN1CCN(C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 1643133957 DXCUUDUSSHFMEV-QQTULTPQSA-N 442.584 4.645 30 10 IJEE C=CCn1c(SCc2ccc(C(=O)OC)c3cccnc23)nnc1-c1cccc(OC)c1 1643757322 GRVMWSNXHBNAQI-UHFFFAOYSA-N 446.532 4.767 30 10 IJEE CCN(Cc1ccccc1Br)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 1645406403 GMDICZWYDAOTCE-ZDUSSCGKSA-N 432.387 4.720 30 10 IJEE O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 1657382449 FPHYFUNYPMCDHJ-UHFFFAOYSA-N 434.355 4.821 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c(Cl)c1 1660105388 AWBCQAYZCSHYIH-QGZVFWFLSA-N 447.944 4.830 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(Oc2cc(C)ccn2)CC1 1662573171 FEYHXVFTTHTFON-UHFFFAOYSA-N 446.345 4.793 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](Cc2nccs2)C1 1662577070 IDGZXFRIVBMWGK-CQSZACIVSA-N 436.375 4.957 30 10 IJEE C#CCN(Cc1ccc(OCOCC)cc1)[C@@H]1CCOc2ccc(Br)cc21 1663979623 KLDJXQCZJTUAMU-OAQYLSRUSA-N 430.342 4.781 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)CCOc3ccc(Br)cc3)cc21 1664929428 NKQORXWOXKQBBG-UHFFFAOYSA-N 429.318 4.528 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1 1667572162 WREZTJUVWIUFDZ-QFIPXVFZSA-N 441.597 4.999 30 10 IJEE N#CCc1ccc(OCc2ccccc2NC(=O)NC2CCN(c3ccncc3)CC2)cc1 1667575017 DRLHCOJVEVWDON-UHFFFAOYSA-N 441.535 4.517 30 10 IJEE C#CCN(C(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C1CCN(C)CC1 1668619247 ZQOIXWXVXUMSLB-INIZCTEOSA-N 431.005 4.572 30 10 IJEE C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccc(Br)cc1 1674025647 KAOCFQRSRCMYLM-FXAWDEMLSA-N 443.316 4.567 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(CC)CC)c1ccc(Br)cc1 1674170064 YOJIQWKBLZVGLJ-MOPGFXCFSA-N 434.403 4.567 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCO[C@H]1CCCC[C@H]1C 1675838083 MNVAIWIHOANAIN-BEFAXECRSA-N 427.358 4.881 30 10 IJEE C=CCOc1ccccc1CNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 1677622593 RSHDLAUQKFGHIG-SFHVURJKSA-N 429.358 4.788 30 10 IJEE C#CCN(C(=O)N[C@@H](C)CC(C)(C)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1678038922 NYSSYHSWOMLLJQ-FQEVSTJZSA-N 441.616 4.787 30 10 IJEE C#CCN(C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C1CCN(C)CC1 1680849367 IYOKOWRJKNZMLW-IBGZPJMESA-N 427.898 4.549 30 10 IJEE C=CCCCCCCNC(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1680986813 YVVKLPVLQIQYDR-NRFANRHFSA-N 437.625 4.571 30 10 IJEE C#C[C@H](NC(=O)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 1682348842 MEJUWUWPWRAEFU-FPOVZHCZSA-N 443.563 4.617 30 10 IJEE C#C[C@@H](CCC)NC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 1683680874 IKRACXUYUIXFLD-SFTDATJTSA-N 443.547 4.762 30 10 IJEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1689895065 IBBZINDJLFFHOI-FCHUYYIVSA-N 441.019 4.969 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](SC)C(C)(C)C 1690035716 HYJDYMXXWZIGFZ-QFIPXVFZSA-N 446.624 4.576 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](SC)C(C)(C)C 1690043515 DLPOAZMGJBDVSN-JOCHJYFZSA-N 447.608 4.841 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC2(CCCCC2)O1 1690058902 DMEYCVQYICCTMO-SIKLNZKXSA-N 440.563 4.899 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1sc(C)nc1C 1690065135 MOIXIDUCVAADFK-UHFFFAOYSA-N 444.402 4.597 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nc(C2CC2)cs1 1690259724 UGLLJZYEVNKPAT-UHFFFAOYSA-N 439.585 4.747 30 10 IJEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1690280317 DUWIZPZMMHRGQZ-ICSRJNTNSA-N 425.577 4.651 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690367148 DCBFOWFVMDXSRX-VXKWHMMOSA-N 437.632 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(=O)C(C)C)CC1 1690428208 IMLPUIICVAZXBN-UHFFFAOYSA-N 448.615 4.770 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690472012 BAEUNLGNMDRSPV-MJGOQNOKSA-N 431.378 4.679 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccccc1Cl)N(C)C)C1CC1 1690543582 JKKBZZLQHITFPZ-SFTDATJTSA-N 429.996 4.631 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCCCCC1)C(C)C 1690581706 WZSXGESOOXTHIT-XZOQPEGZSA-N 429.653 4.989 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCC[C@@H]1C 1690586289 JTVBLBAXUISDBO-XFAGBWLFSA-N 426.630 4.861 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690586689 SEYWJRVSDHHHBM-RTBURBONSA-N 444.023 4.665 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(Cl)s1 1690588208 MOLVHOFCGVRGIP-UHFFFAOYSA-N 430.961 4.904 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CC12CCOCC2 1690613269 BDJPKQRBBCMXQO-QFIPXVFZSA-N 438.616 4.698 30 10 IJEE CC(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@](C)(C#N)C1 1692360642 FDPFJDWSCKAXLZ-CYFREDJKSA-N 444.624 4.569 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[S@](=O)C(C)(C)C 1705479718 ODHCABRTEYMXPG-MMEWPQADSA-N 449.045 4.818 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1CCN1CCCCC1 1705713099 SJSGVPKBYHWZBG-UHFFFAOYSA-N 438.439 4.657 30 10 IJEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1705721877 FQULQOZOZZSEAU-HSZRJFAPSA-N 439.648 4.756 30 10 IJEE C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](CCC)C1 1705727580 OGSSAYBYTLTTDK-MRXNPFEDSA-N 425.360 4.745 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](F)c2ccc(Br)cc2)CC1 1705782043 NCGKHDKXZXPYLC-PKOBYXMFSA-N 449.368 4.658 30 10 IJEE C=CCC(C)(C)Cn1c(N2CC[C@@H](OCc3cccc(OC)c3)C2)nnc1C(C)(C)C 1705802876 YDWQGBFBWALDBM-OAQYLSRUSA-N 426.605 4.982 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CCc1ccc(F)cc1 1705868671 WTMZNXCPBHWFFL-UHFFFAOYSA-N 433.556 4.900 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCCN1CC 1705870687 NXUFYGWNBJPBFO-QGZVFWFLSA-N 448.384 4.509 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1oc(CCC)nc1C 1722279419 SKMDWZBUQYBZLO-WBVHZDCISA-N 441.963 4.827 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1722310883 QORWAFNIIWNJSQ-MRXNPFEDSA-N 437.332 4.993 30 10 IJEE C#CCCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](CC)C1 1722311287 UQXLAMVCGABUGE-MRXNPFEDSA-N 431.378 4.756 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC)CCC 1722496235 WHAMXULBDLAMDR-YJBOKZPZSA-N 436.398 4.643 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(Oc2ccccc2F)c1 1722518111 UTGANBILRTXBID-LJQANCHMSA-N 437.519 4.559 30 10 IJEE C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1C 1722522187 CNJRUWNJLHHVHS-NRFANRHFSA-N 439.604 4.914 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@](C)(O)[C@H](C)CC 1722666100 JNXRGHOMZDMTTD-IIBYNOLFSA-N 433.394 4.683 30 10 IJEE CSC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1731028160 HCBCXOZQWOGIGR-NRFANRHFSA-N 434.009 4.782 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(CCOC)CCCC1 1740536431 GQYMMPRPMLRYAL-QGZVFWFLSA-N 432.515 4.601 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1sccc1Br 1740536495 IATKBQIFRZDJOX-LBPRGKRZSA-N 435.778 4.929 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCC=CO1 1740538327 FTHHMPZZWKAHIH-UKRRQHHQSA-N 435.753 4.512 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CSCCS1 1740558581 TXQJHBWPRUOCTP-OALUTQOASA-N 444.670 4.595 30 10 IJEE C#CCCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@](C)(CC)C1 1740569870 LBLDUBYAPULWQW-NRFANRHFSA-N 449.368 4.656 30 10 IJEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(CC(F)(F)F)CC1 1740575382 RDCORVQFUUFXRK-UHFFFAOYSA-N 425.524 4.606 30 10 IJEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740595258 PVGAMIFHZYLUMC-XZOQPEGZSA-N 436.600 4.530 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(SC)CCC1 1740729797 MTOZWVKQYUUGLE-HSZRJFAPSA-N 440.613 4.630 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]1C(C)C 1740754280 DGYQWIKCEDOHRK-VIZSFHNOSA-N 440.588 4.568 30 10 IJEE C=C1CCN(c2nnc(CC3CCCC3)n2Cc2cc(OC)ccc2OC(F)F)CC1 1740828509 NCXVRYFDAJQPAX-UHFFFAOYSA-N 432.515 4.826 30 10 IJEE C=C1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@H]2CC=CCO2)CC1 1740828517 NKEMJQFXXFXVNM-NRFANRHFSA-N 442.991 4.753 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccoc2CC(C)(C)C1 1740844263 XLEHRVQDJCFRLA-UHFFFAOYSA-N 448.571 4.710 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1C 1740917182 JIXOTTPVGJLBBA-NTKDMRAZSA-N 443.599 4.640 30 10 IJEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N(C)[C@H]2CCCc3c2cnn3C)cc1 1740966578 UGIVZFSXXFUGNV-GCJKJVERSA-N 434.588 4.652 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1740999717 DMDFEGFYCWRBHB-NRFANRHFSA-N 439.629 4.607 30 10 IJEE CC(C)[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1741308833 HERCYJJPPNHCFZ-FCHUYYIVSA-N 448.036 4.761 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1748649185 KYHGNSVYNFMEAL-IAGOWNOFSA-N 445.995 4.559 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Br)s2)n1Cc1nc(C)cs1 1749058370 GGRGIIDEPJAHOK-GOSISDBHSA-N 448.415 4.574 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OC)c(OCC)c1 1749149317 ZYXPQWJAGDVBBG-UHFFFAOYSA-N 441.963 4.852 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccs1)N(C)C 1749162566 PVTLZRXCQJOIJI-HXUWFJFHSA-N 427.593 4.775 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1749354172 KOSZMNKYCOKEPY-FQEVSTJZSA-N 446.555 4.575 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nc(C)cs2)CC1 1749370868 RJAJAWNMPAIWIH-UHFFFAOYSA-N 442.658 4.624 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(CCC#N)CC1CC1 1749415991 RSLCHQRCSFIKOI-UHFFFAOYSA-N 432.341 4.943 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H](C)N1CCC(C)CC1 1749529731 KLCWEFOYWFAQDN-OAQYLSRUSA-N 434.632 4.760 30 10 IJEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(Cl)=C(Cl)C2)cc1 1749683938 LEIBREWUKVZIIF-UHFFFAOYSA-N 442.350 4.853 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2csc(C)c2)C1 1749718243 UFFOZHNBMNHTDX-NRFANRHFSA-N 438.597 4.673 30 10 IJEE C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](c2ccco2)C1 1749757683 AFMMLGRMTWRWAJ-MRXNPFEDSA-N 430.524 4.653 30 10 IJEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1749760877 PTXAVBPSGLNVSY-XMMPIXPASA-N 428.646 4.624 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(C)(C)CN(C)C 1760097222 BUUCNVAEYRWGQA-OALUTQOASA-N 446.039 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](Cc1ccccc1)OC 1760103627 JJHRQAAVPPHDPL-IPJJNNNSSA-N 448.636 4.847 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1760129226 GJARVTSKIVGMNM-PMVMPFDFSA-N 433.600 4.966 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760130869 NBXKAVHNNCMLPB-XZOQPEGZSA-N 429.568 4.676 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H](OC)C(C)(C)C 1760163186 OEXFHPWXFIOUGG-PKOBYXMFSA-N 432.996 4.819 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1CC(CC)(CC)NC(=O)OC(C)(C)C 1760231219 WWTLSUFOPLCQHY-UHFFFAOYSA-N 443.567 4.627 30 10 IJEE C#CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(C)C)C1 1760273847 FFHLDRMAEVOKLQ-GOSISDBHSA-N 447.446 4.946 30 10 IJEE C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H](C)c1ccco1 1760311858 CBIKSHUMMDKLFJ-MRXNPFEDSA-N 431.334 4.865 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(C)C)CC1 1760326564 XINZGQYLHACHSL-YKSBVNFPSA-N 442.579 4.850 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1cccnc1OC 1760329808 LBLIRBHDGCSIFK-FQEVSTJZSA-N 435.572 4.889 30 10 IJEE C=C(C)Cn1c(N2CCC[C@H]2c2ccc(C)o2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760349157 BOQJEIGAKWXJKC-OTWHNJEPSA-N 441.576 4.868 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1C[C@H](C)[C@@H](C)C1 1760360007 NOCSLRKRGZZXJC-SFTDATJTSA-N 426.605 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1csc(C)n1 1760415341 WASHCTZIFLQVCU-HXUWFJFHSA-N 439.633 4.848 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2ccc[nH]2)n1CCC1CCN(CC)CC1 1760483561 UKWDYRFLIQLYCQ-UHFFFAOYSA-N 436.579 4.727 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H]1CSC 1760562149 YGBAJMGDVNSTRU-OAHLLOKOSA-N 427.014 4.989 30 10 IJEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@]2(CC=CCC2)C1 1760569476 PKESXNFXNPHGRG-RUZDIDTESA-N 449.624 4.975 30 10 IJEE CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H](C)C#N 1760690543 DIMVVDBHMPGKLZ-KKLQWCBXSA-N 448.571 4.647 30 10 IJEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCO[C@H]2CCCC[C@H]2C)c1 1762008830 CYTYJVWNOGIPOM-OFNKIYASSA-N 437.588 4.501 30 10 IJEE C=CCN(CC=C)c1cc(-c2cc3cnccc3c(NCCCn3ccnc3)n2)ccn1 1857837597 LXZRACGJXZTEOV-UHFFFAOYSA-N 425.540 4.569 30 10 IJEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)Nc2cc(Cl)cc(Cl)c2)CC1 1860592046 OCEHYONXURLBGW-OAQYLSRUSA-N 435.351 4.681 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861124133 BQQWVDLBFKKZAD-JWIKTPOESA-N 429.561 4.856 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2cccc(Cl)c2)cc1 1862391807 ISMPPNMBWHRTBA-OAQYLSRUSA-N 427.928 4.643 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1 1862431337 FHAVGZLDWDPFSV-LJQANCHMSA-N 434.319 4.997 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1862444457 YYBCBPOSOPIFSL-QGHHPUGFSA-N 440.710 4.606 30 10 IJEE CC(C)OCCN1C(=O)C(O)=C(C(=O)c2cccc(Cl)c2)[C@H]1c1ccccc1Cl 1862446573 VXNPPZKDFAEYCO-LJQANCHMSA-N 434.319 4.997 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3nc4ccccc4[nH]3)[C@H]2c2ccccc2)cc1 1862475768 UJNYRQCHPMDMIX-DEOSSOPVSA-N 437.499 4.692 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862511250 JKLGGNITOUZNML-QFIPXVFZSA-N 439.483 4.694 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)cc2)cc1 1862515691 ULJKNRZEAUAJSD-DEOSSOPVSA-N 442.515 4.957 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCCc3ccccc3)[C@H]2c2cccc(O)c2)c1 1862554472 DKNIIPXCNLPKCM-DEOSSOPVSA-N 442.515 4.576 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 1862610907 WSWDKTGDGYGYKG-QFIPXVFZSA-N 435.520 4.742 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862655769 PDHJHZFCDOVLLF-QFIPXVFZSA-N 446.459 4.688 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1862694429 JLXYPEIFXOSRNL-OAQYLSRUSA-N 438.480 4.762 30 10 IJEE O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(F)c1)c1ccc2ccccc2c1 1862714482 CJILSISVCXNMRJ-GMAHTHKFSA-N 431.463 4.736 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(O)cc1 1862724743 SHIWXGSGNPFNIK-XMMPIXPASA-N 443.499 4.674 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(c3cccc(F)c3)C2=O)cc1 1862980084 KUKHBASIBCZUGD-UHFFFAOYSA-N 441.462 4.881 30 10 IJEE CCOc1ccccc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2c[nH]c3ccccc23)C1=O 1863121211 BWDZTYYEAJRGCU-UHFFFAOYSA-N 448.482 4.835 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C(c2ccccc2OC)C1=O 1863427264 GWHWYKIDIZMMHK-UHFFFAOYSA-N 425.488 4.817 30 10 IJEE CCC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 1867046916 CPQHHCFORUPVNS-NRFANRHFSA-N 432.549 4.538 30 10 IJEE C=CCOc1cn(Cc2ccc(Cl)cc2)c(CN(CC)CCc2ccncc2)cc1=O 1870387498 GUEWDIUADRPVOP-UHFFFAOYSA-N 437.971 4.574 30 10 IJEE CCCCCCCOc1cn(Cc2ccccc2F)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870414575 RJWNNAWULKJJHQ-NHCUHLMSSA-N 444.591 4.994 30 10 IJEE C=CCOc1cn(CCCN(C)C)c(CNc2cccc(OCc3ccccc3)c2)cc1=O 1870811405 YDFMIBBUXFLWPC-UHFFFAOYSA-N 447.579 4.556 30 10 IJEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CNc1ccccc1C(C)C 1871002786 ZXDSTLYDRGOLLN-UHFFFAOYSA-N 436.508 4.728 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CNc1ccc(C)cc1C 1871167831 NGMHGUOSUWPIDM-UHFFFAOYSA-N 445.563 4.843 30 10 IJEE Cc1cccc(NCc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H]2CCCO2)c1C 1871252426 ZYQGNNUZSMBHOJ-XMMPIXPASA-N 443.547 4.707 30 10 IJEE CCCCCN1COc2ccc3c(c2C1)O/C(=C\c1cc(OC)c(OC)cc1OC)C3=O 1871346712 SGAFURNBELEABV-FMCGGJTJSA-N 439.508 4.671 30 10 IJEE C=CCc1ccccc1OCc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1872846729 PKPPUSOKHYTOGH-UHFFFAOYSA-N 436.552 4.687 30 10 IJEE CCCOC(=O)CSc1nnc(CC2CCCCC2)n1/N=C/c1ccccc1Cl 1874411283 MYHLCKZSYCOTAI-OEAKJJBVSA-N 434.993 4.982 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1ccc(F)cc1)Nc1ccc(F)cc1 1874452649 GLITVRBFZGIMAW-DHRITJCHSA-N 441.507 4.827 30 10 IJEE Cc1ccc(/C=N/n2c(SCC(=O)Nc3c(C)cccc3C)nnc2C(F)(F)F)cc1 1874460301 PMJOEHOJJPPUJW-OPEKNORGSA-N 447.486 4.835 30 10 IJEE COc1cccc(/C=N/n2c(S)nnc2CCc2ccccc2)c1OCc1ccccc1 1874560679 KJBGWAZLEIBKRE-YZSQISJMSA-N 444.560 4.822 30 10 IJEE C=CCOc1ccccc1OCc1nnc(S)n1/N=C/c1c(Cl)cccc1Cl 1874568454 ZKGHOWZUVHWKTM-SSDVNMTOSA-N 435.336 4.900 30 10 IJEE CCOc1ccc(OCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3OC)cc2)cc1 1875117394 DBRSJPPDUVKFHJ-LICLKQGHSA-N 432.472 4.974 30 10 IJEE COCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 1875165556 NNWBPTUYBCUBDC-NTUHNPAUSA-N 433.416 4.835 30 10 IJEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(OC(=O)c2cnccn2)cc1 1875167526 CTGSOQZYAMVVJC-QPJJXVBHSA-N 429.259 4.907 30 10 IJEE COc1ccc(C[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c2ccccc2)cc1 1892336995 WTRVGJQKVOVTMY-MHZLTWQESA-N 440.543 4.963 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)OC(C)(C)C 1983939730 BMYOKZUGGDXEPI-MSOLQXFVSA-N 427.463 4.907 30 10 IJEE C#C[C@@H](C1CCC1)N(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1993810659 BHVHBPFEYPHKJR-UIOOFZCWSA-N 444.575 4.810 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 2032368304 ITYGRSAGYZQZEV-PXNSSMCTSA-N 445.560 4.976 30 10 IJEE CC(C)c1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1 2053525720 YTPXJHDTZMTBKU-UHFFFAOYSA-N 446.528 4.886 30 10 IJEE CC1(C)OB(c2cc(F)cc(CN(Cc3ccccc3)CC3CCOCC3)c2)OC1(C)C 2095820378 MWLCDTAMYLEMCP-UHFFFAOYSA-N 439.380 4.554 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)c(Br)c1F)NC 2110503749 MSVDMIUCIUYAJH-HUUCEWRRSA-N 447.776 4.679 30 10 IJEE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1c1cc(Br)c(C#N)cc1F 2118198097 CECYOOSVBHFUAS-STQMWFEESA-N 426.330 4.589 30 10 IJEE C[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1cc(Br)cs1 2124453693 KOKPHSMFPZKJAY-TZMCWYRMSA-N 444.395 4.665 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2(CNc3ncc(Br)cc3C#N)CCC[C@H]12 2165306854 RKNIBVXGVYUQEF-JXFKEZNVSA-N 435.366 4.697 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(C1)CN(c1cc(Br)cc(C#N)c1)C3 2174814154 FCEXEUNXYLMPNW-OYRHEFFESA-N 432.362 4.548 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2C#N)CC1 2181106916 BHLPXYWVMJMWEV-CZUORRHYSA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N1CCCCCC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2181138417 APBWSIQOXNSRGT-KRWDZBQOSA-N 436.350 4.829 30 10 IJEE CC1(C)OB([C@@]23C[C@@H]2CCN(C(=O)c2cc(Cl)ccc2Br)C3)OC1(C)C 2194119951 DKTIOHLQWRFXSA-HXPMCKFVSA-N 440.574 4.801 30 10 IJEE CCc1ccc(C#C[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1 2223358524 GINUTRCFOPMDSM-OPXMRZJTSA-N 436.596 4.687 30 10 IJEE C=C([C@@H](NC)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C(F)(F)F 2229125325 CVKVIWYGLDCZDQ-HUUCEWRRSA-N 437.300 4.591 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2235730374 OLLZBEFXNCKKTE-KNQAVFIVSA-N 435.406 4.816 30 10 IJEE C#CC[C@H](C)C[C@H](NCC)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237400513 XHBIRLHILUGNIZ-VDGAXYAQSA-N 437.422 4.913 30 10 IJEE COc1cccc(C#C[C@@H](O)c2cc(NC(=O)OC(C)(C)C)ccc2Br)c1 2237731614 GYOWGVRLZNYNDU-LJQANCHMSA-N 432.314 4.890 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255852838 JDOQSFUEXYKAPH-HDJSIYSDSA-N 434.317 4.984 30 10 IJEE CCN[C@@H](CC=CC#CC(C)(C)C)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2256733487 OEFBCHGVZALADR-DEOSSOPVSA-N 441.660 4.987 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(Br)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2266282606 YZPYQISTNPFXET-UHFFFAOYSA-N 427.314 4.730 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)CCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2296216642 MLIRRNWRUMCSOE-ICSRJNTNSA-N 435.406 4.816 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 2296275424 ZDMLWRXABJUQQM-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE CCC1([C@@H](C#Cc2ccc(Br)cc2)NC)CCN(C(=O)OC(C)(C)C)CC1 2296288863 LIUXVLJEAYPWKS-LJQANCHMSA-N 435.406 4.816 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 2296290617 FMJNFYLJISNPIA-VQTJNVASSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C 2296292619 ALOVNHBRJODFRH-DENIHFKCSA-N 433.390 4.734 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](C[C@@H](N)C#Cc1ccc(Br)cc1)C1CCCCC1 2296304685 KFDNUJWRPUFCBZ-PMACEKPBSA-N 435.406 4.992 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@]1(C)CCCCN1C(=O)OC(C)(C)C 2296310815 ODOSSVSIVJFFGH-UGKGYDQZSA-N 435.406 4.958 30 10 IJEE CC(C)[C@H](CS)COCc1ccc(I)c(Br)c1 2306305358 WFYFSWIZXHOJCT-NSHDSACASA-N 429.161 4.772 30 10 IJEE C[C@H](COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)CN(C)C(=O)OC(C)(C)C 2317347588 ZZEHSEHCFCEPKZ-UJGDBWEASA-N 432.370 4.608 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317353292 GDAJDHVVAUDFBN-XNVVNFSMSA-N 430.354 4.551 30 10 IJEE CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N=Cc1ccccc1Cl 2320934136 XDJSTLPZUQZXEU-UHFFFAOYSA-N 427.961 4.724 30 10 IJEE CCOc1ccccc1C=C1Oc2c(ccc3c2CN(CCCN(CC)CC)CO3)C1=O 2322115002 OMPBVBBLQDAEJE-UHFFFAOYSA-N 436.552 4.585 30 10 IJEE COc1ccc(OCCCc2nnc(S)n2N=Cc2ccc(Cl)cc2Cl)cc1 2322223658 NHQNFZZIVLAJJE-UHFFFAOYSA-N 437.352 4.776 30 10 IJEE CCOc1ccccc1C=C1Oc2c(cc3c(c2C)OCN(Cc2ccccn2)C3)C1=O 2322312006 MUATXUQMAPPPQM-UHFFFAOYSA-N 428.488 4.757 30 10 IJEE CCCNC(=O)COc1ccc(Br)cc1C=CC(=O)c1ccc(F)c(C)c1 2322627594 KHOZAQFGYPCIMW-UHFFFAOYSA-N 434.305 4.698 30 10 IJEE Cc1c(OC(=O)c2ccccc2Br)ccc2c1OC(=Cc1ccncc1)C2=O 2322711997 PURHHZVZZPHUNJ-UHFFFAOYSA-N 436.261 4.988 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCC(=O)OC 2324233688 GURDLBZYPJGDBF-UHFFFAOYSA-N 426.509 4.839 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc(CCc3ccccc3)n2N=Cc2ccncc2)cc1 2325445059 JFWAWYBAJPMUGZ-UHFFFAOYSA-N 444.520 4.541 30 10 IJEE COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)Cc1ccc(F)cc1 2325669718 TWNQGHVYXRCZSB-UHFFFAOYSA-N 435.407 4.787 30 10 IJEE C=CCSc1nnc(COc2ccccc2OCC)n1N=Cc1c[nH]c2ccccc12 2326846291 GHDQTUVBLFCBMJ-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccncc2)c1C 2330535964 HQGJBFDSHIYBHR-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE O=[N+]([O-])c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 2330989934 YGZRFNJEBCBHLN-GOSISDBHSA-N 443.916 4.866 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccc(F)cc1F)NC1CCCCC1 2331079383 MEXBQUXSCXOQQE-UHFFFAOYSA-N 447.555 4.637 30 10 IJEE CCCCOc1ccc(C=Nn2c(CC(C)C)nnc2SCC(=O)OCCC)cc1 2331474777 JWLRKUCWPLREFZ-UHFFFAOYSA-N 432.590 4.583 30 10 IJEE CC(C)(C)OC(=O)Nc1ccc(Br)c(Oc2nccc(C#N)c2[N+](=O)[O-])c1 2370341957 OUZJKISWPVVMAM-UHFFFAOYSA-N 435.234 4.763 30 10 IJEE C/C(=N\Nc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1)c1ccccc1 20835265 UFLFHBYEIMUQPK-WSDLNYQXSA-N 425.905 4.637 30 10 IJEE COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)c1OC 21243922 QHBLLZBOPQBPSM-NQIIRXRSSA-N 449.547 4.743 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)c1 33452592 UQSHGAVDWXPVTA-HSZRJFAPSA-N 446.478 4.788 30 10 IJEE C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1Br 36567915 VEBLBPNMRBHOPP-UHFFFAOYSA-N 429.314 4.923 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(OC)cc1 40098336 MEPWISPJBYUQJQ-NRFANRHFSA-N 435.476 4.828 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4c(OC)cccc4OC)cc(C)c3C2=O)cc1 41290051 YBLZXPLXHGIEHW-XKZIYDEJSA-N 446.455 4.856 30 10 IJEE Cc1ccc(S(=O)(=O)N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 71973927 NQNGZVUKAFQWRI-RWDCXNDFSA-N 438.593 4.891 30 10 IJEE Cc1cc(Cl)ccc1OCCCC(=O)/C=C1/NCCc2cc3c(cc21)OCCCO3 102574334 OEQZWRJUGMSYGI-KGENOOAVSA-N 427.928 4.725 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2cccc(OC)c2)cc1 169932094 SQUAKPHHUQJSTJ-QHCPKHFHSA-N 445.471 4.582 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3OC)[C@@H]2c2ccc(O)cc2)c1 169961974 QIASEZSOHHYXBM-HSZRJFAPSA-N 445.471 4.582 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccc(C)c2)cc1 169968882 WWICQZAGODRKGP-QHCPKHFHSA-N 429.472 4.795 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)c1 169973323 FKRUEHBCRTWZQG-XMMPIXPASA-N 437.499 4.973 30 10 IJEE COc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccs2)c1 169988941 CXVXQJOAXBXYGU-QFIPXVFZSA-N 449.528 4.852 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@@H]2c2cccnc2)cc1 170006943 FKFDLKYUSOOHBQ-QHCPKHFHSA-N 444.487 4.580 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)ccc1F 170049703 UDSRCZGUXFYPBV-QHCPKHFHSA-N 445.446 4.688 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(F)cc2)cc1 170061978 MGCILZJILSOBBA-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cn(C)c2ccccc12 170083753 NABYHSCRAONXQT-XMMPIXPASA-N 438.483 4.970 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cc(C(C)(C)C)ccc2OC)[C@@H]1c1ccccc1OC 170125149 YJJSZRQTALIYLX-QFIPXVFZSA-N 437.536 4.990 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(N(CC)CC)cc1 170138884 ZOOZIOHLCVLIAE-XDHUDOTRSA-N 448.563 4.845 30 10 IJEE COc1ccc(OC)c(C(=O)C2=C(O)C(=O)N(c3cccc(C)c3)[C@H]2c2cccs2)c1 170156482 WYSJKGNIOSRYNA-NRFANRHFSA-N 435.501 4.857 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)cc1C(C)C 170161979 JRDOIRMHKWOTBU-KKSFZXQISA-N 441.549 4.637 30 10 IJEE Cc1cc(C)cc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCCO4)[C@H]2c2ccccn2)c1 170170314 MWKZJDQWOWKHOU-XMMPIXPASA-N 440.499 4.806 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2ccccc2F)cc1C 170246991 KDTUIISZFPDSKV-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCCC4)=C(O)C(=O)N2CCCOC)cc1 170266880 NBERSOMRNRBMEP-DEOSSOPVSA-N 433.548 4.743 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2C)cc1C 170278176 FOEAXPROOYUVPT-HSZRJFAPSA-N 437.536 4.705 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)cc1Cl 170307005 LATKVOALAFQRQG-IBGZPJMESA-N 427.840 4.622 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3cc(C(C)(C)C)ccc3C)=C(O)C(=O)N2CCCN(C)C)o1 170308869 CSDDJVDDIDGMDN-QFIPXVFZSA-N 438.568 4.724 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccc(F)cc2)o1 170311355 LGUKXQOSWJUJQU-CMJOXMDJSA-N 447.462 4.829 30 10 IJEE CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(O)cc3)sc2c1 170451451 ZBAZNLVRRFPYFF-HXUWFJFHSA-N 446.484 4.940 30 10 IJEE Cn1ncc(N=Cc2ccc(COc3ccccc3Cl)o2)c1C(=O)NCc1ccco1 254490067 DQKLFMBLHWOMMG-UHFFFAOYSA-N 438.871 4.519 30 10 IJEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1Cc1ccco1 255126936 VNISXAJCWJUIOZ-FQEVSTJZSA-N 437.496 4.888 30 10 IJEE CC1(C)OB(c2cc(Cl)ccc2NC(=O)c2csc(Br)c2)OC1(C)C 405018496 YZGVKMFJVBBXCE-UHFFFAOYSA-N 442.571 4.716 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)cc1Br)NCCC 406611755 ZIUYAJYWPLLHLV-MSOLQXFVSA-N 429.374 4.968 30 10 IJEE CCCc1c(NC(=O)c2cccc(OCc3cscn3)c2)cnn1-c1cccc(C#N)c1 440084018 ZSIQBKPMVCQKDN-UHFFFAOYSA-N 443.532 4.984 30 10 IJEE CC1(C#N)CCN(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)CC1 506632649 CVHKWERKMHDMIU-UHFFFAOYSA-N 432.311 4.798 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 508889674 TUSCGTBPINORTF-UHFFFAOYSA-N 449.521 4.625 30 10 IJEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)CC1 509731276 VDVUZDUFDCUMGE-FQEVSTJZSA-N 443.636 4.512 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N[C@@H](C)c4ccccc4)cc3)cc2C1=O 518863910 HQZMTTNWTZKYNR-KRWDZBQOSA-N 425.488 4.894 30 10 IJEE C=CCCCN(C)c1nnc([C@H](C)Oc2cccc(Br)c2)n1C[C@H]1CCOC1 550025032 PPYKLROHYDQGOH-DLBZAZTESA-N 449.393 4.620 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1ccc(C)cc1)Cc1cccc(C#N)c1 586161268 IOZPAHVIVKXLMI-UHFFFAOYSA-N 434.561 4.883 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC4(CC3)OCc3ccccc34)n2Cc2ccccc2)cc1 619817071 ILLIMSALEMNRGK-UHFFFAOYSA-N 447.542 4.891 30 10 IJEE CN[C@H](CC#CC(C)(C)C)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 686828344 DXGWSVAZOJGGKB-HSZRJFAPSA-N 441.660 4.964 30 10 IJEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cc(Br)c2c(c1)OCCCO2 698399163 OEYXKZINTFSUSZ-HNNXBMFYSA-N 425.323 4.821 30 10 IJEE C#CCN(C(=O)Nc1ccc2oc(C)nc2c1)[C@@H]1CCOc2ccc(Br)cc21 766122628 LOQVPMKOECOXOD-GOSISDBHSA-N 440.297 4.890 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CCCN3c3ncnc4ccccc34)n2)cc1 783077426 QRPAORDJYPCGIC-DENIHFKCSA-N 439.544 4.907 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cc(O)nc2ccc(Br)cc12 783872619 IPDNVTJYUPWKBV-UHFFFAOYSA-N 427.298 4.853 30 10 IJEE N#C[C@@H](C(=O)CCCCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787062049 FVPKKHAFYFHCBW-KRWDZBQOSA-N 448.306 4.640 30 10 IJEE CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=S)Nc2ccc(F)cc2)cs1 917533736 PKAXSXMPRGXCML-UHFFFAOYSA-N 427.530 4.596 30 10 IJEE C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCC)cc2)SC1=Nc1cccc(Cl)c1 1084437747 NXJWSEOLSHJINB-IBGZPJMESA-N 443.956 4.885 30 10 IJEE C=CCOc1ccccc1CN(C(=O)[C@H]1CCOC(C)(C)C1)c1ccc2c(c1)OCCO2 1124426908 COEQMBYFFUECGN-IBGZPJMESA-N 437.536 4.761 30 10 IJEE C#CCOc1ccc(COC(=O)c2cc(-c3ccc(Br)cc3)ns2)cc1 1127967446 KJJAAGPUEVSFNE-UHFFFAOYSA-N 428.307 4.942 30 10 IJEE C#CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)C[C@@H](C)O[C@H]3C)cc1 1128130251 XDHMPDPJQKEJFG-CABCVRRESA-N 441.549 4.990 30 10 IJEE CCc1ccc([C@@H](C#N)N(C)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 1129379270 HYBRJJKBARIOEV-LOSJGSFVSA-N 425.532 4.833 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)c3ccc(Cn4cc(Cl)cn4)s3)cc2)ccn1 1129425015 GIUJGYWUWPVPKN-UHFFFAOYSA-N 435.896 4.958 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](CCCc4ccccc4)C3)ccc2c1=O 1137662818 NRVZCKGOMBAYSD-FQEVSTJZSA-N 447.604 4.746 30 10 IJEE N#CCc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1141873570 BHBWHOSETRFRFG-UHFFFAOYSA-N 426.423 4.943 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N(C)[C@H](c3ccc(Cl)cc3)c3cnccn3)cc21 1220204190 DUNRWIJLSIVGPD-JOCHJYFZSA-N 432.915 4.919 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(I)c(C)c1 1247309160 QOSNRAPTWFIDRL-GOSISDBHSA-N 434.321 4.586 30 10 IJEE C#CCOc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1 1265134798 JIZLCPAXFMZNNB-IBGZPJMESA-N 448.441 4.922 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)cc1OC 1265664724 QKNOAVYHVYYPCM-ZDYXOJRKSA-N 425.428 4.539 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@H]1C(F)(F)C12CCC2 1286454463 XXCIDBVJQFZDLK-PXNSSMCTSA-N 444.526 4.712 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCC1(C)C 1286515432 YPTCCANERGWSSG-FQRUVTKNSA-N 433.600 4.966 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1cscn1 1286552331 PZMJMTAPTYLXOL-IFXJQAMLSA-N 447.967 4.812 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)CCOc1ccccc1Cl 1286557805 KQYDEQGLYPCTLR-AVRDEDQJSA-N 432.996 4.626 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1 1286558397 OKZTUAOFOBEBJO-REWPJTCUSA-N 439.991 4.634 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1Cc1cccs1 1286603508 FUEWNQXSWCEWHG-GOSISDBHSA-N 444.004 4.859 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1Cc1cccs1 1286605880 ZJGDVBIZKUWECI-LJQANCHMSA-N 438.597 4.819 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1CCSC(C)(C)C1 1286622030 BGHNOXCVWQEEHP-UHFFFAOYSA-N 433.828 4.853 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286696665 MKMBLLULOOSPMI-IRXDYDNUSA-N 432.410 4.593 30 10 IJEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(F)(F)F)C1CC1 1286738844 GCCLWZOJSTZJSP-GASCZTMLSA-N 443.514 4.546 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1CCc1ccc(OC)c(F)c1 1286748643 YMKAVQXNCDPZIV-UHFFFAOYSA-N 437.544 4.918 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCSC1(C)C 1286765226 APDDKDOPBGIBTD-FQEVSTJZSA-N 437.613 4.624 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(OCC)cc1 1286778092 QZWRLOUCXGEJOO-FQEVSTJZSA-N 441.576 4.571 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@H](C)c1ccccc1 1286782251 PCNIEISYIATKHP-GOSISDBHSA-N 449.624 4.775 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)SC)C1 1286802468 UIWZQFYNBXWPPJ-SJLPKXTDSA-N 432.659 4.808 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCOCC2(CC2)C1 1286824242 VYZGSTYGVYSAOS-FQEVSTJZSA-N 442.629 4.571 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)c1 1291919916 NQNJEHMGKMNDFS-UHFFFAOYSA-N 441.578 4.650 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnc(C(C)(C)C)s1 1300286272 HBJKXSSGUBBQOJ-GFCCVEGCSA-N 449.411 4.907 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCOC1CCCCCC1 1300591706 WLAGCGFJSRRTIH-UHFFFAOYSA-N 448.611 4.676 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1Cc1ccc(NC(=O)CCC)cc1 1300808433 VHMDYBKSNQXHEU-RUZDIDTESA-N 447.608 4.709 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1ccoc1C 1300890191 ULBYOTJGVOSMPJ-MBSDFSHPSA-N 442.510 4.666 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H]2C[C@@H](OCC)C23CCCC3)nnc1C(C)(C)C 1300896464 FQQGXFZGYHNLRT-MHTWAQMVSA-N 430.637 4.731 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1301112279 PKVHAWWVHKTWHG-QFIPXVFZSA-N 432.597 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1301150839 BUXGQMLSDFAGLJ-UHFFFAOYSA-N 432.559 4.845 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccccc1 1301241843 XMNQVNQGMXFWPA-UHFFFAOYSA-N 447.402 4.998 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1nc(C2CC2)cs1 1301270491 IMILPBKFIXMKBS-UHFFFAOYSA-N 430.375 4.712 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCC[C@H](C)C1 1301362048 ACHIETBQTSTNRS-PMACEKPBSA-N 443.661 4.547 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCC1 1301365054 DUFSAJBTZGRHFL-UHFFFAOYSA-N 428.989 4.691 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC[C@@H]2CC)C1 1301556382 IGUMULOZIXOZES-IPMKNSEASA-N 430.543 4.755 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2Cc2cc(C(C)(C)C)no2)C1 1301566351 MTXRONHZUMJFHP-NRFANRHFSA-N 449.599 4.569 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1301601640 SGGVSWCMPZNKKD-UHFFFAOYSA-N 439.585 4.517 30 10 IJEE CCOc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1OCC(=O)N1CCCCC1 1308440914 HKFOLYPAJOAFOH-DEOSSOPVSA-N 447.579 4.515 30 10 IJEE COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 1309111939 BNSQFVBYKIQPAC-QFIPXVFZSA-N 430.545 4.512 30 10 IJEE N#Cc1cc(F)c(S(=O)(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)cc1Br 1309562937 DXUSONMBSWKXSW-IBGZPJMESA-N 449.345 4.766 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 1312270268 JDEUNLSXFKSOPU-AZUAARDMSA-N 431.577 4.535 30 10 IJEE COc1ccc(C[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1OC 1358155613 GSQWBELNJPNZDB-DVECYGJZSA-N 428.532 4.854 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1358936043 AUZSRTWFALLJRB-CIAFKFPVSA-N 442.648 4.784 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCO[C@@H](C)C1 1359064237 OMLGRWPWOVQAOS-GSRZOBFVSA-N 442.991 4.879 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC(C)(C)OCC 1359065739 ZVHCBKWUDONUBO-OAQYLSRUSA-N 431.378 4.515 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)CCC(C)C)CC1 1359181895 LNQUJJLJEDTIDX-XMMPIXPASA-N 430.568 4.586 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1CC 1359184134 CXIPALAUEDUEBP-GOSISDBHSA-N 428.577 4.952 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1359186151 WKTNPSJEVNOBMF-UHFFFAOYSA-N 438.526 4.547 30 10 IJEE C=CCCCCn1c(COCC)nnc1N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1359206769 OPPJXCMBILHVRU-YOFSQIOKSA-N 447.624 4.538 30 10 IJEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)c1ccccn1)C1CC1 1359246092 PJYIDTGRCRDQAI-UHFFFAOYSA-N 444.583 4.675 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@@H]1C 1359262628 ZSEJKHVYJMAKRV-MHECFPHRSA-N 433.581 4.622 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1CC[C@H]1CCCCO1 1359269337 XMDSRUYVRMYIOC-QGZVFWFLSA-N 449.368 4.984 30 10 IJEE C=CCn1c(N(C)Cc2cccc(Cl)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290278 SMECDHZHFQMVSQ-MAEOIBBWSA-N 431.968 4.525 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)CCCS2)C1 1359314353 ZIKMTZYYUOQTGP-XTQVGHSUSA-N 446.592 4.624 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@](C)(C#N)C1 1359346272 HITHZAYXFUEJPQ-JOCHJYFZSA-N 427.643 4.928 30 10 IJEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1 1359643594 GTBODXTVDVWPMU-UHFFFAOYSA-N 448.640 4.883 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C 1360321714 RLNHAAPMDQZFFJ-CBQOVEMMSA-N 428.573 4.683 30 10 IJEE Cc1cc(Cn2c([C@@H](C)Oc3c(C)cc(Cl)cc3C)nnc2N(C)[C@H](C)CC#N)no1 1361070145 DHCMXRPHXIYXRI-NVXWUHKLSA-N 442.951 4.771 30 10 IJEE C#CCN(C(=O)c1sc(CC2CC2)nc1C)[C@@H]1CCOc2ccc(Br)cc21 1435174649 HNMRXRDAXKBUJG-QGZVFWFLSA-N 445.382 4.766 30 10 IJEE C=CCn1c(SCCC(=O)Nc2cc(F)ccc2C)nc2sc3c(c2c1=O)CCC3 1458825055 PECRKPFHYXSNHA-UHFFFAOYSA-N 443.569 4.701 30 10 IJEE COc1ccc(-n2c(SCc3ccc(F)c(C#N)c3)nc3ccccc3c2=O)cc1OC 1458885952 AFEKBKRPVAFEQD-UHFFFAOYSA-N 447.491 4.706 30 10 IJEE C#CCN(Cc1ccc(C(=O)OC(C)C)cc1)[C@H]1CCOc2ccc(Br)cc21 1459507396 GQSQXTQKBBXBHU-NRFANRHFSA-N 442.353 4.973 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 1459635297 UIQMNBAYGCFHJO-MGPUTAFESA-N 429.973 4.819 30 10 IJEE CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1sc3c(c1C#N)CC[C@H](C)C3)C2 1459789196 GZSMZAIMKXTSAS-KRWDZBQOSA-N 437.609 4.920 30 10 IJEE CCOC(=O)c1c(NC(=O)[C@@H](CC)Cc2ccc(C(F)(F)F)cc2)c(C#N)cn1CC 1460983952 APKFUIHMAVLFMI-HNNXBMFYSA-N 435.446 4.783 30 10 IJEE C=CC[C@@H]1CCCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 1464036585 WRKGZJPGZTUWAW-ZSQFBXSQSA-N 438.637 4.581 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1468481001 JBMOYGGDCCHESY-FPOVZHCZSA-N 431.577 4.742 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1ccccc1 1468551270 FGTBHIRGWSATKN-DEOSSOPVSA-N 434.923 4.972 30 10 IJEE C=C[C@H](CC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)c1ccccc1 1471738985 SSIHTEQKWZIFGK-NJAFHUGGSA-N 426.479 4.508 30 10 IJEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1nc(C(F)(F)F)cs1)C1CC1 1501566435 FITSBHWAKSGSAV-UHFFFAOYSA-N 432.475 4.523 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCc1nc(C(C)(C)C)cs1 1507534862 AZETXEXZOVFFAB-INIZCTEOSA-N 442.032 4.977 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(Cl)=C(Cl)C1 1507555325 MOYPCOZEIVSSBF-UHFFFAOYSA-N 443.176 4.739 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(C)OCCc2sccc21 1507681746 CVUSWXFBWLXNKX-JOCHJYFZSA-N 444.963 4.747 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](OCC)C1 1507803801 HBTYZUBCNWHTCV-SBFWRKJZSA-N 438.616 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H](CC)N1CCc2ccccc2C1 1507818183 VGFKKRCORODVPE-DEOSSOPVSA-N 444.627 4.888 30 10 IJEE C=C(Cl)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507869185 ONIWPOICHJXBGH-HSZRJFAPSA-N 427.980 4.744 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1507897218 MRQVEQPZRXDFMA-UHFFFAOYSA-N 447.461 4.633 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC=CO2)CC1 1507909420 FFFJRENRPIVINV-LJQANCHMSA-N 426.586 4.674 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@](C)(OC)C1 1507941944 KTULUAJEUSWJQH-GOSISDBHSA-N 425.396 4.741 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccn2C)n1C[C@H](C)c1c(C)noc1C 1508001040 JSZNZZJNMXIWRU-SFHVURJKSA-N 430.556 4.885 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCN(C(C)C)C1 1508018663 WRVXGTCLVVCRIE-OAQYLSRUSA-N 446.599 4.899 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(OC)CCC(C)CC2)C1 1508116861 PEZAKFOWTOGVGM-RUPGZQMFSA-N 445.007 4.975 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](OC)c2ccc(Br)s2)cc1 1523486116 JBDKLGWIEOZLSW-SFHVURJKSA-N 438.343 4.846 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccn(-c2ccc(F)cc2C)n1 1524983713 WLQAUPCVIBUXEX-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C#CCN(Cc1ccccc1)C(=O)c1cc(I)c(Cl)cc1Cl 1525487992 QETONOWQHNBFAQ-UHFFFAOYSA-N 444.099 4.874 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3C)cc2C1=O 1526807297 NATWOMHBKFPJCD-UHFFFAOYSA-N 442.519 4.513 30 10 IJEE C=CCc1cc(CNC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)cc(OC)c1OC 1527042387 FYCGLJFPEQLTIL-UHFFFAOYSA-N 445.441 4.567 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(OCC)cccc1[N+](=O)[O-] 1527807336 OXVGCVWGDPZXNU-UHFFFAOYSA-N 437.265 4.724 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccnc(-c2ccccc2)n1 1529485270 GFKVWWJEDUNEKC-UHFFFAOYSA-N 426.289 4.874 30 10 IJEE C#CCN(C(=O)CO[C@@H]1CCCC[C@@H]1CC)[C@@H]1CCOc2ccc(Br)cc21 1531554536 VXZRXOLFVDSWCG-PWIZWCRZSA-N 434.374 4.720 30 10 IJEE Cc1ccc(NC(=O)C2(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CCCC2)cc1C 1533210555 BTJUSQRKXFTPJU-UHFFFAOYSA-N 435.543 4.907 30 10 IJEE C=CCCC[C@@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)c1ccccc1 1533766060 HDCAVDFECMAZOA-OAQYLSRUSA-N 432.973 4.707 30 10 IJEE O=C(Nc1ccc(C(F)(F)F)c(F)c1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1534014825 GYTOEADRLUANLB-LBPRGKRZSA-N 448.338 4.851 30 10 IJEE C[C@H]1C[C@@H](C)Cc2c1sc(NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c2C#N 1534153712 AWETYTFUQGGPBU-MHWYNOHBSA-N 425.529 4.603 30 10 IJEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 1534343670 BYXVZWHDTQYZRS-XMMPIXPASA-N 446.572 4.875 30 10 IJEE N#Cc1ccc(N(Cc2ccccc2)C(=O)CCCc2nc(-c3cccs3)no2)nc1 1536616557 HAJVALKFWRZZSM-UHFFFAOYSA-N 429.505 4.621 30 10 IJEE CCOc1ccc(N(C(=O)c2ccc(C#N)s2)C2CCN(CC(F)(F)F)CC2)cc1 1537163973 CGLHKVDHIOCIJQ-UHFFFAOYSA-N 437.487 4.692 30 10 IJEE C#CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1)[C@H]1CCOc2ccc(Br)cc21 1538198283 GJMVKPBXIKUPFM-LIRRHRJNSA-N 448.744 4.855 30 10 IJEE C#CC[C@]1(C(=O)N(C)c2nc3ccc(Cl)cc3s2)CCCN1C(=O)OC(C)(C)C 1538425683 KWIYGLDMRMSNSY-OAQYLSRUSA-N 433.961 4.706 30 10 IJEE COC(=O)[C@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 1538669800 DBTHHSAUYJEXIE-IBGZPJMESA-N 446.890 4.996 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1csc(C)c1 1538983122 NRUSWKFZAMPGFF-CYBMUJFWSA-N 445.386 4.592 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc(C(C)(C)C)cs1 1539030987 VOJLCSJYWAGYJD-SFHVURJKSA-N 437.613 4.734 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H](SC)C(C)(C)C 1539036194 YZVVPVQBFANPCI-BZSNNMDCSA-N 449.665 4.586 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(CC)CC1CCC1 1539066438 USKSCGJPUGOPIY-NRFANRHFSA-N 443.636 4.823 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCC1(F)F 1539390400 OMELTQSYEKDKHS-SFHVURJKSA-N 427.474 4.878 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)Cc1cccs1 1539547184 UUEVVAICMFUFJV-KSFYIVLOSA-N 425.989 4.926 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCc1nccs1 1539621906 CJDLQQYILOGNIQ-FXAWDEMLSA-N 444.004 4.715 30 10 IJEE C=C1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC2(C)C)CC1 1539847125 ADQANPRITJYGHS-LJQANCHMSA-N 429.609 4.595 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1539903379 YCUXZWIOSQTWAN-QHCPKHFHSA-N 449.643 4.917 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N(CC)C[C@H]1CCCO1 1539981973 PPDFSALYMFFSTO-MRXNPFEDSA-N 437.357 4.818 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1539989344 UUZYIAPHBRQBPV-LPHOPBHVSA-N 445.995 4.914 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN1CC 1540140641 PRVKHXXBOXDYIJ-FQEVSTJZSA-N 437.613 4.692 30 10 IJEE Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2CCc2scnc2C)c1C 1542029562 HUYXDCNRCLIXBA-VQIMIIECSA-N 438.601 4.781 30 10 IJEE C=C(CC(C)C)C(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1542063124 BXHWIHWVCDREGV-MRXNPFEDSA-N 436.478 4.563 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 1543381905 QRKASZKMFPOQAU-UHFFFAOYSA-N 442.494 4.910 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 1543848183 BHWLAGWZIKKHSP-UHFFFAOYSA-N 431.536 4.738 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(N2CCCCCC2)nc1 1544359370 LPMZLLMQERXWSR-UHFFFAOYSA-N 433.474 4.976 30 10 IJEE COc1ccc(Br)cc1[C@@H]1CCCN1c1ncc(Br)cc1C#N 1559088591 FHERNGXRHYKOCM-HNNXBMFYSA-N 437.135 4.828 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 1562104611 YDZIFANQBGFPNK-UYAOXDASSA-N 449.617 4.516 30 10 IJEE C=CCC[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)c1ccccc1 1564396484 JPAORJZUISHFMV-NRFANRHFSA-N 438.528 4.533 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc(Cl)cc1 1564997888 QBHMSLWPNPETTQ-PXNSSMCTSA-N 438.890 4.793 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)O[C@@H](C)C2 1586043324 BZMDGSOTKHTBHY-ULFGMLNVSA-N 446.425 4.921 30 10 IJEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N 1586711538 GKLPOZOXLKFVEB-VGSWGCGISA-N 449.551 4.716 30 10 IJEE C=C[C@@H](OC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1 1587278751 GFZMRMDOHFMPKA-GXYBQNOFSA-N 427.522 4.888 30 10 IJEE C#CCCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](COC)C1 1587705340 BLZHJWBADJOWSB-UXHICEINSA-N 428.552 4.614 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCCC(C)(C)C 1588162036 GVVUUUZWMBYRTN-UHFFFAOYSA-N 443.389 4.519 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCC[C@@H]1CCCCO1 1588180787 KQXZCUCJBBOAPO-ZEQRLZLVSA-N 448.611 4.847 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(C)(C)OCC 1589171572 KEDGWGBOBITTHF-BXKMTCNYSA-N 426.630 4.939 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCCCC2)CC1 1589715410 KCRABNFJCAWPMK-UHFFFAOYSA-N 444.421 4.738 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](COc2ccccc2)C1 1593844427 BGRSJJWOBYKNND-INIZCTEOSA-N 430.339 4.651 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1594829035 AEQLOQYBSLMALF-LNRXMEIDSA-N 430.637 4.948 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC(C)C)n1CC(C)(C)N1CCCCC1 1595100014 MCEZZOZVTDSUEF-UHFFFAOYSA-N 434.632 4.805 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC(F)F 1595161516 CEAPTWJRPHVCPW-QGZVFWFLSA-N 446.523 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@H](C)C1 1595166258 RSFFYVOODSKAKR-IWFBPKFRSA-N 430.618 4.692 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2csc(CC)n2)C1 1595699103 BYEOBCGKYZCJPR-INIZCTEOSA-N 447.967 4.586 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cccs1 1595838264 OEHFTVCGEWKIFB-UHFFFAOYSA-N 441.626 4.764 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1595866509 NNANTLZLGHECRY-CRAIPNDOSA-N 449.546 4.991 30 10 IJEE N#Cc1ccccc1COc1cccc(C(=O)NCCc2cccc(Br)c2)c1 1596687729 BIZGJVGYTIAUHV-UHFFFAOYSA-N 435.321 4.872 30 10 IJEE C=C[C@@H](CC(=O)Nc1cc(C(=O)OCC)ccc1I)c1ccccc1 1597325687 ATOMSLVMSQKAAK-AWEZNQCLSA-N 449.288 4.766 30 10 IJEE CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)o1 1597759900 DIURQAHVHZETEH-UHFFFAOYSA-N 432.910 4.612 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC#N)N1CCCC1 1598264638 FYYZHUYBWCYBCM-UZLBHIALSA-N 432.975 4.596 30 10 IJEE COc1ccccc1/C=C1/S/C(=N/N=C/c2ccc(O)cc2)N(Cc2ccco2)C1=O 1615300566 IMNNYTFQTBAKDS-IOOFSVDWSA-N 433.489 4.500 30 10 IJEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 1616516767 FCWRJSIFTNQLAU-KZNAEPCWSA-N 444.984 4.640 30 10 IJEE COC1(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)CCCC1 1619048953 CCIGGZJVOLQYLD-KRWDZBQOSA-N 443.979 4.771 30 10 IJEE C#C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 1624783729 ANYJGHXCJVKMRY-VWLOTQADSA-N 442.490 4.545 30 10 IJEE Cc1cc(NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c(C#N)cc1N(C)C 1625391680 GUPRDHYDOFDJPJ-UHFFFAOYSA-N 437.491 4.820 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](Cc2nc(C)cs2)C1 1625542349 IUEBJPQEHNDBJE-AWEZNQCLSA-N 436.375 4.875 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)c1ccc(Cl)cc1F 1628434508 RJTIWERCXXAOKE-QHCPKHFHSA-N 448.929 4.611 30 10 IJEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2nc(O)n(C3CC3)c2c1 1630579197 HXJKFXAPXNBFHV-ZDUSSCGKSA-N 428.414 4.650 30 10 IJEE CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1633106897 DOUDMAJYOBAXFP-SFHVURJKSA-N 440.975 4.729 30 10 IJEE CN(C)C[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(Cl)cc1 1635073107 DFVPNJLWVOXNSA-XMMPIXPASA-N 433.939 4.823 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 1638616208 DQYGFMYJNBMUPC-PIGZYNQJSA-N 431.241 4.986 30 10 IJEE C=CCn1c(SCCNC(=O)OC(C)(C)C)nc2cc(-c3ccccc3)sc2c1=O 1640771698 HCWHZSLDYVFSTP-UHFFFAOYSA-N 443.594 4.928 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC=CC1 1644494640 JARWBGYJRBNXBM-HSZRJFAPSA-N 436.939 4.871 30 10 IJEE C=CCn1c(SCC(=O)c2cscn2)nc2sc(-c3ccccc3)cc2c1=O 1651730083 GOCGFITXCIRGFX-UHFFFAOYSA-N 425.560 4.743 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1)C(=O)OC 1652013444 PRTANVZSURFGHV-IBGZPJMESA-N 428.554 4.752 30 10 IJEE C=C(C)[C@@H](CO)Sc1nnc(COc2ccc(OC)cc2)n1-c1ccc(C)c(Cl)c1 1652358523 XDJCEFILBUBOCP-HXUWFJFHSA-N 445.972 4.846 30 10 IJEE C=C(C)[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(F)c(F)c1 1653342991 KBYMMKVOWSFHEM-VWLOTQADSA-N 449.501 4.740 30 10 IJEE C#CCN(Cc1nc(-c2ccc(C)cc2)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 1655587262 UWBKISDZYHDBSN-UHFFFAOYSA-N 425.598 4.953 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(Oc3ccc(C)cc3C)c2)n1 1664116696 HSFSPVXURZTJSS-UHFFFAOYSA-N 432.524 4.606 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)N(CCO)[C@H]3C[C@H]4CC[C@H]3C4)cc2Cl)c1 1668176508 HUOBUJVUSAEDTO-BPXKWBHBSA-N 439.943 4.805 30 10 IJEE C#Cc1cccc(CNC(=O)N[C@H](c2ccccc2Cl)c2ccc(OC)cc2OC)c1 1669654259 FZJDMFLWXHKHOF-XMMPIXPASA-N 434.923 4.927 30 10 IJEE C=CCN1CCC(NC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)CC1 1669687429 QJHSBBUKMZXCMH-UHFFFAOYSA-N 425.385 4.813 30 10 IJEE C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1673915459 GLFIGJQCEHWVHI-SZOBAZRNSA-N 434.540 4.929 30 10 IJEE C[C@@H](C#N)CSc1ccccc1NC(=O)N(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 1674452158 FYFNREPAAXHRCO-IHPCNDPISA-N 439.581 4.982 30 10 IJEE C#CCN(Cc1ccc(F)cc1)C(=O)NCCN(C(=O)OC(C)(C)C)C1CCCCCC1 1679053984 AXHUYNNJYUTXOP-UHFFFAOYSA-N 445.579 4.930 30 10 IJEE C#CC[C@@H](NC(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2)c1ccccc1 1680515826 TWXIWBFVWURVHR-BWKNWUBXSA-N 425.573 4.716 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 1681466045 QHOHZOZCVRSFSR-UHFFFAOYSA-N 441.373 4.736 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CC1 1685065714 JNNPXWWRXBFUDQ-MPGHIAIKSA-N 443.345 4.538 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(c2ccccc2C)CC1 1689833789 QJXICZPRPNCWML-INIZCTEOSA-N 438.373 4.534 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCO[C@@H]1C(=C)C 1690036979 IHRPEUIVIDTQMS-DCLXLUIPSA-N 448.636 4.576 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@@H](c1cccnc1)C(C)C 1690200369 VHWSMXPJBDWRFE-ZEQKJWHPSA-N 429.568 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(CC)Cc1ccc(F)cc1 1690246125 RCIFAUWFFCPILP-FCEUIQTBSA-N 428.552 4.667 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCO[C@H]1CCCC[C@@H]1C 1690268473 MNFBKZCZUGCVCU-UNMCSNQZSA-N 436.604 4.514 30 10 IJEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1690304762 NJFKJISTEIKHHQ-HSZRJFAPSA-N 445.567 4.770 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccc(C)o1 1690337114 DJSOKTICAHKPEO-KRWDZBQOSA-N 428.920 4.958 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H](OC)C(C)(C)C)CC1 1690369639 RYFKXFKAIPWSQK-QFIPXVFZSA-N 442.604 4.960 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690382117 CERTTXDVHAPDBJ-ROUUACIJSA-N 430.980 4.871 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC1 1690384388 OUNFJTPMCGESSY-FGZHOGPDSA-N 438.616 4.629 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(O)(c2ccccc2Cl)CC1 1690469450 PNVHYYVRBNBQIJ-HXUWFJFHSA-N 430.980 4.627 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Br)n1Cc1cccnc1OCCC 1690521029 NTQURXNWYLQRTA-UHFFFAOYSA-N 442.361 4.562 30 10 IJEE C=CCN(c1nnc(Cc2ccccc2C)n1C[C@H](CC)NC(=O)OC(C)(C)C)C1CC1 1690547027 SAODVDLTQDOFGR-FQEVSTJZSA-N 439.604 4.635 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCCc1cccc(C)n1 1690565965 YYYWNPHVYLTXDY-QHCPKHFHSA-N 431.584 4.701 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)c1nccs1 1690577572 JVWNXZMZNMTQSN-SJORKVTESA-N 429.615 4.686 30 10 IJEE CC(C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](c1cccs1)N1CCCC1 1691658492 DHBKEWYICIYCKJ-NRFANRHFSA-N 434.613 4.808 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)CCO[C@@H]2C2CC2)cc1 1693157349 AHMGCLRHRBTLJA-IHLLOCCUSA-N 439.629 4.822 30 10 IJEE C#CCCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1705519856 ZGYAXHQOJGTSCT-QUCCMNQESA-N 432.971 4.849 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC(=C)Cl 1705589973 XYKRWOXHAKKRRC-SFHVURJKSA-N 431.367 4.904 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCCC1(C)C 1705592188 RPUDSZPLQPYUPX-LJQANCHMSA-N 426.511 4.836 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCCC(F)(F)C1 1705597954 XASYPIHNUFJYQO-GOSISDBHSA-N 446.492 4.826 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCC(C)CC2)CC1 1705763429 VINYLMKPPLFHPY-NRFANRHFSA-N 441.595 4.836 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)N2CCCCC2)CC1 1705778503 YJWCQSRXCSBUFK-UHFFFAOYSA-N 438.576 4.520 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705814951 GFMRFHPYOHFVOC-IAGOWNOFSA-N 431.378 4.537 30 10 IJEE C=CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705817073 BQMGCCBOMHDJJZ-KDURUIRLSA-N 431.625 4.841 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1CCC(OC)CC1 1705837955 VMLYCQSVFAAPFB-UHFFFAOYSA-N 425.396 4.597 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1C(C)C 1705857693 JLDXQYSSAKMUIK-XZOQPEGZSA-N 434.588 4.558 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CC1)N(C)C 1705859841 ZVZSUUVCBLNGBX-OAQYLSRUSA-N 436.991 4.526 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCC[C@@H]1C 1705862898 YMRAYMJCNCZFOM-BVZFJXPGSA-N 435.547 4.531 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705941004 WCUFDBLSXLSRMY-CALCHBBNSA-N 433.419 4.719 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CCCCC1 1706748163 GPUOCHWLNWSOHT-QUCCMNQESA-N 444.624 4.711 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC2CCCC2)cc1 1712879589 GJBCXBFSKZLHON-IBGZPJMESA-N 433.478 4.555 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCSC(F)(F)F 1722303535 OWOQQZHOLNZCDO-HNNXBMFYSA-N 440.535 4.866 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(CC)CCCC 1722318921 HKQAWLOOGVSIHZ-UHFFFAOYSA-N 431.625 4.823 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722389391 SFKPMFGRQBICIG-ZBLYBZFDSA-N 443.595 4.665 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722512515 FOANSCVFKSIGHD-GOSISDBHSA-N 443.567 4.886 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCc1ccc(Br)s1 1722514364 DPJAARSRYABHQJ-UHFFFAOYSA-N 446.418 4.733 30 10 IJEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](SCC)C1 1722534643 UUDLHEFDNTWPCA-FQEVSTJZSA-N 432.609 4.713 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1722546679 TWWGKXYTUVUUOR-CQSZACIVSA-N 442.789 4.572 30 10 IJEE C=CCCCn1c(N(C)Cc2ccc(C(F)(F)F)cc2)nnc1[C@]1(OCC)CCOC1 1722621933 CVDHITXKEAZDNZ-NRFANRHFSA-N 438.494 4.552 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCOC2(CCCCC2)C1 1722624601 DDSATCINBIORIC-UHFFFAOYSA-N 430.980 4.731 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cl)c1C 1722660747 FPOLEIPDJQWXRT-UHFFFAOYSA-N 444.004 4.681 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2)n1CCOc1ncccc1F 1722662582 JVGBJJCTOPYQAX-UHFFFAOYSA-N 435.528 4.812 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2)n1Cc1cnc(C)s1 1722668296 OCQREDCPNAVLMB-UHFFFAOYSA-N 430.375 4.699 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCc1cc(F)cc(F)c1 1722677169 VSDICPOYGVUXJQ-LJQANCHMSA-N 442.510 4.521 30 10 IJEE C=CCSCCn1c(C2CCC2)nnc1N1CCc2cc(Br)ccc2C1 1722741023 YPZOJQILSOAFSJ-UHFFFAOYSA-N 433.419 4.790 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](CC(C)C)N(C)C)c2ccccc2n1 1724203316 BFTBTUMNBHGQDV-VQTJNVASSA-N 433.604 4.516 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1CC(C)(C)c1ccccn1 1729987723 FQRNNVRBPKZOIW-MRXNPFEDSA-N 438.963 4.718 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nccc(C(F)F)n1 1740766596 IOHCYBRSDFNYNO-HNNXBMFYSA-N 446.477 4.736 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@H](OC)C(C)C)CC1 1740823569 DSANYPLNYNSQQO-KNQAVFIVSA-N 428.577 4.644 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCc2ccccc2)CC1 1740848399 JUEIGVBZXWNUGB-QFIPXVFZSA-N 438.616 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(Br)o1 1740849628 QCNVONZFAXCEHO-UHFFFAOYSA-N 444.377 4.858 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](C)C1)c1ccccc1 1740855351 GSFWBJKTBLDCFR-BIHRQFPBSA-N 438.616 4.988 30 10 IJEE C=CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1CC 1740862366 QLDVGZVTNVTZMU-IBGZPJMESA-N 434.588 4.800 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCO[C@H]1CCCC[C@@H]1C 1740918688 SFILMUWIJRIHSB-QTJGBDASSA-N 438.616 4.960 30 10 IJEE C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740944284 WVMAGCMEGFKFLZ-OAHLLOKOSA-N 444.004 4.742 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@H]1C 1740997347 YPANEMUGZJTLOR-HZPDHXFCSA-N 439.050 4.932 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccn2C)n1CCc1cccc(F)c1F 1741516111 HEIJPWCLOCLPKN-UHFFFAOYSA-N 426.515 4.571 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1cccc(OCC)c1OC(F)F 1749051975 SZHVTYZBQUXOPW-HSZRJFAPSA-N 432.515 4.616 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1749131662 UCBIIGKNLMHBEJ-SBHAEUEKSA-N 429.634 4.607 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CC(F)(F)F)nnc1C1(c2ccccc2)CCC1 1749140628 RRDLGQMKSUFZTG-IEBWSBKVSA-N 434.506 4.728 30 10 IJEE C=C(C)COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@](C)(C#N)C1 1749213533 MJRIBMBUQUNTLA-WZONZLPQSA-N 443.979 4.794 30 10 IJEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1749260007 HZSSNTSITZQFHN-KRWDZBQOSA-N 426.952 4.896 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)C)CC1 1749375514 DFXNQSPTOIIXMY-UHFFFAOYSA-N 425.621 4.607 30 10 IJEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1749417457 HPVZCYZMKQALPX-UHFFFAOYSA-N 434.569 4.820 30 10 IJEE C=CCCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749438260 TVKSJXXLVQPLSW-LPHOPBHVSA-N 438.494 4.542 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C)OC)C1CC1 1749510584 LJRLZCQEABMWJT-GFCCVEGCSA-N 425.758 4.551 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCc2c(cccc2OC)C1 1749614071 PASWUKDXYUOWDM-UHFFFAOYSA-N 431.359 4.526 30 10 IJEE C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC#N)c1ccc(F)cc1 1751208813 HROBHXLZIKXLDL-DEPWHIHDSA-N 427.568 4.878 30 10 IJEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(F)(F)CC2)CCOC1(C)C 1752435922 DVVWASPQSXPNEV-INIZCTEOSA-N 429.515 4.646 30 10 IJEE C#CCCCn1c(-c2ccc(Br)s2)nnc1N1CCCC2(CCOCC2)C1 1760147660 WLBOTRHKRXLZBT-UHFFFAOYSA-N 449.418 4.580 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@](C)(OC)CC1 1760319804 UQVHSSCVCIWFPH-UMFSSWHCSA-N 438.616 4.884 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(N(C)C)CCSC1 1760329630 GJXQQVWQWMCASD-XUZZJYLKSA-N 427.662 4.660 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nc(C)cs2)CC1 1760397536 WOCSDTSIEZIFFX-MRXNPFEDSA-N 427.549 4.773 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 1760411807 DBFMIIZHEDVSHF-PMACEKPBSA-N 440.588 4.743 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C)CC1)c1ccccc1 1760416369 BMIOKLJNGLDAHF-NRFANRHFSA-N 444.583 4.912 30 10 IJEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1760448266 ZXHIKYWBDLIGEX-VQTJNVASSA-N 440.588 4.572 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1CCc1sc(C)nc1C 1760481671 ZYQAXDXMHZMCLE-UHFFFAOYSA-N 430.581 4.849 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cc(F)ccc1F 1760490907 NAHLYRKNMIENLP-UHFFFAOYSA-N 434.288 4.541 30 10 IJEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H]2CC[C@@H](SCC)C2)cc1 1760531455 PKCVYVOGEAGZLP-CEMLEFRQSA-N 442.629 4.853 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760561191 STOMZAAUAZEHIB-SFHVURJKSA-N 443.020 4.635 30 10 IJEE Cc1cc(C(F)(F)F)ccc1Cn1c(-c2ccccn2)nnc1N1CCC(CC#N)CC1 1761656522 FSCIQXSVSIMMTD-UHFFFAOYSA-N 440.473 4.846 30 10 IJEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)C(C)C 1766510072 DFPBXMCOYDBQRC-NZQKXSOJSA-N 439.604 4.805 30 10 IJEE Cc1nc2ccc(C(=O)Nc3ccc(CC(=O)Nc4ccccc4C#N)cc3)cc2nc1C 1859131953 GXCSYPRGEBTCQF-UHFFFAOYSA-N 435.487 4.552 30 10 IJEE CCCCCCCCCCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 1861569575 FYJYOWZOFCHCOT-UVEFMEQMSA-N 442.600 4.719 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3Cl)=C(O)C(=O)N2C2CC2)cc1OC 1862386479 OHACTMJJNORQLJ-LJQANCHMSA-N 448.302 4.751 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2Cc2ccccn2)cc1 1862402386 XQVUOADRROAHAQ-DEOSSOPVSA-N 442.515 4.740 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(OCC)c(OCC)c1 1862438113 HADQDMXKCSVUSA-OAQYLSRUSA-N 441.911 4.902 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(N(C)C)cc1 1862460359 VOODDEQUGWPJGP-MPBGBICISA-N 432.442 4.547 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(O)c(OC)c1 1862461112 XNGZJFCZTXKBCB-FQEVSTJZSA-N 449.425 4.587 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccc3c(c2)CCCN3C)cc1 1862521199 BQUMNLQQHVDMFB-XMMPIXPASA-N 446.547 4.599 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1Cl)c1cccc(O)c1 1862594833 HRQZTCPBJHOKPI-QFIPXVFZSA-N 433.891 4.867 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1cccc(Cl)c1 1862725153 BZACQODZCPGPKW-WAIKUNEKSA-N 447.918 4.966 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1c(Cl)cccc1Cl 1862743747 FYUUKLBIDOAHOQ-QGZVFWFLSA-N 435.263 4.890 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1862759231 MPQQXSMXOZGLLM-KRWDZBQOSA-N 434.370 4.602 30 10 IJEE Cc1ccc(C)c(CN2C(=O)C(Nc3cccc(C#N)c3)=C(c3ccccc3F)C2=O)c1 1863299391 NACWUTDFGXECCK-UHFFFAOYSA-N 425.463 4.706 30 10 IJEE N#Cc1cccc(NC2=C(c3ccccc3Cl)C(=O)N(Cc3ccccc3F)C2=O)c1 1863446857 JISAIWRYQYCROK-UHFFFAOYSA-N 431.854 4.743 30 10 IJEE C=CCNC1=C(c2ccc(Br)cc2)C(=O)N([C@@H](C)c2ccc(CC)cc2)C1=O 1863564225 MKQLRUMDPGRLCI-HNNXBMFYSA-N 439.353 4.628 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1ccccc1Cl 1864223556 HQEWRUOWSPDAQW-IBGZPJMESA-N 445.007 4.807 30 10 IJEE C=CCN(CC=C)c1cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)nc(-c2cccnc2)n1 1869370064 XHEPURORGJQRGT-XXBNENTESA-N 445.542 4.823 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)CCCOc1ccc2ccccc2c1 1870105960 PYWZYIPOCCPDPV-UHFFFAOYSA-N 439.519 4.766 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)cc1CN(CC)CCCC 1870734209 IKESFYTWKJWNIX-UHFFFAOYSA-N 445.991 4.636 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2ccc(C)c(C)c2)cc1=O 1870810171 PLLJUYNKUOBHRZ-UHFFFAOYSA-N 448.563 4.902 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(C)cc1C 1870872348 BCJFOUHHVBFVNR-UHFFFAOYSA-N 428.573 4.990 30 10 IJEE Cn1cc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)c2ccccc21 1871374024 MEBZPCWDONNECQ-FMCGGJTJSA-N 440.411 4.922 30 10 IJEE Cc1ccc(NC(=O)COc2cc(C)c3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 1871454308 IWLXJRQFPFBGSE-UUYOSTAYSA-N 444.443 4.845 30 10 IJEE CCCCCCCCN=c1nc(Nc2ccc(C(C)(C)C)cc2)[nH]c(N2CCOCC2)n1 1871553547 MLHWTYDTVKYSIH-UHFFFAOYSA-N 440.636 4.944 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1)c1ccccc1)S(=O)(=O)c1cc(C)ccc1C 1872138587 ZKQXNTSMBQEVPK-XMMPIXPASA-N 434.561 4.860 30 10 IJEE C=CCN([C@H](CC)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872236744 IMOOKMIAAPMCJX-GOSISDBHSA-N 427.353 4.587 30 10 IJEE C=C(C)CN([C@@H](CC(C)C)C(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1cccs1 1872551136 LZVNHRDIDBTPIS-FQEVSTJZSA-N 434.627 4.985 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1 1872764834 ZLTSEWFGYVPMLC-LKUPVBHCSA-N 445.544 4.605 30 10 IJEE C=CCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168470 WKJPWRKKMCRXCG-HXUWFJFHSA-N 425.532 4.711 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccccc1C(=O)O 1874267010 WJWWFCLZSDMIFW-FOKLQQMPSA-N 442.928 4.759 30 10 IJEE CCCOc1cccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCCC)c1 1874297966 CYYTVVFRJFGPJL-XQNSMLJCSA-N 439.541 4.950 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(C)cc1 1874418874 MKUDTSMETLIXTI-NLRVBDNBSA-N 449.624 4.800 30 10 IJEE CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1cccs1 1874419130 ZTPNSPKLNBYYGV-XQNSMLJCSA-N 441.626 4.553 30 10 IJEE CC(=O)NCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccc(Cl)cc1Cl 1874431329 KKPBXYIHTPOJSQ-YSURURNPSA-N 448.379 4.704 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2/N=C/c2ccccc2C)cc1C 1874444001 QHJYIQSTULJPBK-NFCNUSAFSA-N 449.580 4.668 30 10 IJEE CC(C)COC(=O)CSc1nnc(C2CCC2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874497351 GGXRRPPCKZNSBL-YSURURNPSA-N 440.491 4.738 30 10 IJEE CCCc1nnc(SCc2ccc(F)cc2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874503854 CUMRYENSMISVGE-FOKLQQMPSA-N 434.924 4.912 30 10 IJEE CCOc1ccc(/C=N/n2c(S)nnc2COc2ccc(Cl)c(C)c2)cc1OCC 1874568117 HVRQOLHDVJJRHR-FSJBWODESA-N 446.960 4.787 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(=O)c1ccc(C)cc1 1874706696 VCVUGIWQTUIPCR-BJMVGYQFSA-N 430.456 4.890 30 10 IJEE COc1cccc(C(=O)Oc2cccc(/C=C/C(=O)c3ccc(OC)c(OC)c3OC)c2)c1 1874717404 QHRXVOQSYHMGFV-ACCUITESSA-N 448.471 4.836 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccccc2OC)cc([N+](=O)[O-])c1OC(=O)c1ccco1 1875119310 NWJAWVPYASAJEY-ZHACJKMWSA-N 437.404 4.710 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1OC(=O)C(F)(F)F 1875174681 DAKOCOZEMUMGGV-SOFGYWHQSA-N 437.370 4.974 30 10 IJEE CN1CCN(C(=O)c2cccc(C(F)(F)F)c2C(F)(F)F)[C@H](c2cccc(F)c2)C1 1891115662 LHMSSTQLTRSSSP-INIZCTEOSA-N 434.355 4.992 30 10 IJEE N#Cc1ncccc1OC1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 1891578295 GSTVUYKSKCPWQC-UHFFFAOYSA-N 428.879 4.658 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cc(F)cc(Br)c2)NCC)C1 1892694138 ABKTVRXHYZHFEU-QGZVFWFLSA-N 427.358 4.722 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 1922058956 CDYYWZXGITYJGF-NQIIRXRSSA-N 428.495 4.537 30 10 IJEE CC1(C)OB(CC2CN(Cc3cccc(Br)c3Br)C2)OC1(C)C 1948809621 OIGBGBIYWZCLCL-UHFFFAOYSA-N 445.004 4.736 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@](C#N)(N(C(=O)OC(C)(C)C)c1ccccc1F)C2 1950025510 GWCBHVLKBVGOKT-WIRVKHDMSA-N 431.508 4.859 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C=O)(Cc2ccc(Br)cc2Br)C1 1980246242 MNDWFWGOVHNLBR-KRWDZBQOSA-N 447.167 4.580 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1c(Cl)cccc1Cl)c1cnccn1 2033814617 XZDRMPGQGQFBJE-KRWDZBQOSA-N 446.315 4.623 30 10 IJEE N#Cc1ccc(Oc2ncc(I)cc2Br)cc1Cl 2069535437 HSHJPTPPBRPHTG-UHFFFAOYSA-N 435.446 4.766 30 10 IJEE CCc1nn([C@H](c2c(C)cc(C)cc2C)C2CC2)c(I)c1C=NO 2079980055 YKZBHWQAPLCCRL-SFHVURJKSA-N 437.325 4.783 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNc1ccc(C#N)c(Br)c1F)CC(F)(F)F 2117336725 BSDPEAMXGGFTAT-JTQLQIEISA-N 440.235 4.717 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C1(NC(=O)OC(C)(C)C)CC2(CCCC2)C1 2133439622 ZOKMPIIHMXOVSB-UHFFFAOYSA-N 427.383 4.527 30 10 IJEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(Br)cc2C#N)[C@H]2CCCC[C@H]21 2174562215 KUQSHTVXLGTFIP-RBUKOAKNSA-N 434.378 4.685 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)CC12CCC2 2174812850 PNRDFNQREMRDCS-QGZVFWFLSA-N 438.341 4.734 30 10 IJEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Br)c(OC)c1 2192138519 APCAFAMYRNINJM-KRWDZBQOSA-N 440.382 4.601 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(c3ccc(Br)cc3C#N)CC2)C1 2193610946 SJLKMKOQQUJZLM-MRXNPFEDSA-N 434.378 4.794 30 10 IJEE CCCN[C@@H](C#Cc1ccc(C)cc1)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2223323554 BJZHUBSNIKREIW-DQEYMECFSA-N 436.596 4.825 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C1(CC)CN(C(=O)OC(C)(C)C)C1 2235733429 UGEMRCDASRNBFE-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCN[C@H](C#CC(C)(C)C)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237398012 JRDYRCASXJDLDN-MOPGFXCFSA-N 437.422 4.913 30 10 IJEE C=CCN(CC(=C)Br)C(=O)C[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 2241005733 LUSFANWMVACTPB-SFHVURJKSA-N 437.378 4.608 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2256300607 GSBFIYLQWJZCDD-UHFFFAOYSA-N 430.354 4.697 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C#CC1CCCCC1 2289787186 QFAMTFPYXSJHTP-VQTJNVASSA-N 436.390 4.830 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1C[C@]1(C(=O)C#Cc1ccc(Br)cc1)C2 2296270386 ZDEQGHCJFLPYCM-RQXXJAGISA-N 430.342 4.548 30 10 IJEE CCCN[C@@H](C#Cc1ccc(Br)cc1)CC1(C)CN(C(=O)OC(C)(C)C)C1 2296292247 WQSUPXAFMGXUKY-IBGZPJMESA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](CNC(=O)OC(C)(C)C)CC1CC1 2296310497 KMDHOMBWJNLDQZ-QUCCMNQESA-N 435.406 4.720 30 10 IJEE CN[C@H](C#CC1CC1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2315716042 ZSRHHYOFCQEWMK-LEAFIULHSA-N 427.544 4.879 30 10 IJEE CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)Oc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2317346233 FTZOPOLGQBBILJ-GJAMECAOSA-N 432.370 4.797 30 10 IJEE Cc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccc(Cl)c(Cl)c1 2321178215 CCPJWODXAPENDC-UHFFFAOYSA-N 445.335 4.717 30 10 IJEE COC(=O)c1ccc(CN2COc3c(cc4c(c3C)OC(=Cc3ccc(C)o3)C4=O)C2)cc1 2322312543 ZRLFYJXEGDBWPT-UHFFFAOYSA-N 445.471 4.651 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2cccc(F)c2)C3=O)c1 2322801009 BIEIPBXWOVMVFW-UHFFFAOYSA-N 434.419 4.987 30 10 IJEE O=C(C=Cc1ccc(OCc2nc(O)c3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1 2323369547 DRSUUCGQUPTBKY-UHFFFAOYSA-N 427.416 4.719 30 10 IJEE COc1cc(C)c(C(=O)C=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1C 2324627268 VDHKRCGLFFHRAH-UHFFFAOYSA-N 429.516 4.903 30 10 IJEE Cc1cc(OCC(=O)NCc2ccccc2)cc2c1C(=O)C(=Cc1cccc(Cl)c1)O2 2324963184 NKARNHDGENKKHB-UHFFFAOYSA-N 433.891 4.960 30 10 IJEE COc1ccccc1C=C1Oc2cc(OCC(=O)N[C@H](C)c3ccccc3)ccc2C1=O 2325019339 LWRZTLGFSUZRTJ-QGZVFWFLSA-N 429.472 4.568 30 10 IJEE CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1)OC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2325072313 LNSVSBLEEBNAJZ-KRWDZBQOSA-N 438.520 4.947 30 10 IJEE Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O 2325494496 JSVJULPYWYTVEE-UHFFFAOYSA-N 443.455 4.666 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)Nc1nccs1 2325584708 LJRXVGIGLGMCOY-UHFFFAOYSA-N 430.844 4.569 30 10 IJEE Cc1c(OCC(=O)OCCOc2ccccc2)ccc2c1OC(=Cc1cccc(F)c1)C2=O 2325744899 AQZMFRSJVJHMIT-UHFFFAOYSA-N 448.446 4.751 30 10 IJEE CCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1cn(C)c2ccccc12 2327543735 LCMBJTPXFFRNCV-UHFFFAOYSA-N 425.945 4.996 30 10 IJEE CCCSc1nnc(COc2ccc(Cl)cc2)n1N=Cc1ccc(C(=O)OC)cc1 2327576010 ALJHAXCCDZTANS-UHFFFAOYSA-N 444.944 4.681 30 10 IJEE C=C(C)CSc1nnc(CCc2ccc(Cl)cc2)n1N=Cc1ccccc1C(=O)O 2328056394 WLNBBDYYJBUUOA-UHFFFAOYSA-N 440.956 4.965 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2ccccc2C(=O)O)CC1 2328192174 FLXGUODKPKLMOU-UHFFFAOYSA-N 444.601 4.797 30 10 IJEE CSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc(Br)c1 2328817220 ALKZUXRSULFSQQ-UHFFFAOYSA-N 431.359 4.841 30 10 IJEE C=C(C)CSc1nnc(CCOc2ccccc2)n1N=Cc1cn(C)c2ccccc12 2329190075 AFNKCYKMFUSETL-UHFFFAOYSA-N 431.565 4.942 30 10 IJEE O=C(O)c1ccc(C=Nn2c(Cc3cccs3)nnc2SCCc2ccccc2)cc1 2330398989 QGSCQFJWCUTBLH-UHFFFAOYSA-N 448.573 4.846 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccc(Cl)cc1Cl 2330446994 LWLZPDPJAWURCX-QFIPXVFZSA-N 443.374 4.935 30 10 IJEE Cn1cc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CCCO2)c2ccccc21 2330970076 OWGXQVGNKHQUOQ-JOCHJYFZSA-N 431.565 4.838 30 10 IJEE COc1cc(C=Nn2c(SC)nnc2C2CCCC2)ccc1OC(=O)c1ccccc1 2331009337 ZPBAXPBFCYLCAR-UHFFFAOYSA-N 436.537 4.768 30 10 IJEE CC(C)Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc(F)cc1F 2331436021 DGJBCSVBZRWPGF-UHFFFAOYSA-N 447.486 4.507 30 10 IJEE CCOc1cc(C=CC(=O)c2cc(Cl)c(OC)cc2OC)ccc1OC(=O)CCOC 2331700497 RQRVSNOUPDDXJR-UHFFFAOYSA-N 448.899 4.594 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3cnccn3)c(Cl)c2)cc1Cl 2331819209 OQLSYIGXWJTBLO-UHFFFAOYSA-N 429.259 4.907 30 10 IJEE Cc1ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c(F)c1Br 2381232032 KPRGDULEBMIWTQ-AWEZNQCLSA-N 442.329 4.812 30 10 IJEE COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cn(CCC#N)c3ccccc23)c(OC)c1 15830158 UCSJTENELVVHAA-XOJVXBCLSA-N 429.520 4.949 30 10 IJEE Cc1ccc(CSc2nnc(N/N=C/c3cccc(Oc4ccccc4)c3)n2N)cc1 20292477 KZCXZTIDKLVVKD-MFKUBSTISA-N 430.537 4.831 30 10 IJEE CCOc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccn2)C4)cc1 41646357 MGZWEEVBKRDWNH-QRVIBDJDSA-N 428.488 4.757 30 10 IJEE CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C(/CC)c2ccccc2)n1 59020644 YUNJTIYRKJUMKZ-JLPGSUDCSA-N 440.598 4.874 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(CN2CCCC[C@H]2C)cc1 63401445 GTJHBJQZNRWNLD-HXUWFJFHSA-N 436.556 4.867 30 10 IJEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccccc2)c2ccco2)CC1 106055605 RPVXUZGMTACYKM-JOCHJYFZSA-N 442.475 4.521 30 10 IJEE COc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2c2ccccc2C)c1 169937292 RSEYDIGKADUBGT-QHCPKHFHSA-N 447.462 4.934 30 10 IJEE COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2cc(C)cc(C)c2)[C@H]1c1ccc(O)cc1 169959141 KJRLVAGFVYQPIU-QHCPKHFHSA-N 447.462 4.940 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccs1 169982762 BKRUBKMYVYCICJ-GOSISDBHSA-N 440.546 4.609 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)ccc1F 170059447 LDMSCJWBRFKUSC-NRFANRHFSA-N 436.870 4.961 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1 170059562 HXDFOLSNISZVPZ-QHCPKHFHSA-N 432.907 4.833 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccco2)c1 170096097 WRTZHWLYOOIVBV-QHCPKHFHSA-N 442.471 4.591 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(Cl)cc3)[C@@H]2c2ccco2)cc1 170096822 XBSAATKFAYKSMS-OAQYLSRUSA-N 437.879 4.763 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4cc(C)ccc4[nH]3)[C@H]2c2ccc(C)o2)cc1 170103634 ULWQVLLYGUMTAY-NRFANRHFSA-N 427.460 4.864 30 10 IJEE CC(C)Oc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccc(O)cc2)c1 170132291 XHZRHGRSSYHMPP-QHCPKHFHSA-N 445.471 4.668 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2cccnc2)c1 170191813 QRUOWRYTQHUEOK-OAQYLSRUSA-N 436.414 4.541 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@@H]3c3ccccc3)ccc2O1 170221898 JEYMRYBXYSJSAH-IVZQSRNASA-N 431.513 4.850 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)c(C)c1 170228111 VGPQTYNTLCZHNI-JOCHJYFZSA-N 428.444 4.995 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1Cl 170230689 ICCGMOMIVQXIJJ-NRFANRHFSA-N 434.879 4.522 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(F)cc2)cc1 170241484 BVHPRIJLGVIJEL-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)[C@H]3c3cccc(O)c3)ccc2O1 170258289 LLCPWXXFUOIIDI-FATZIPQQSA-N 445.446 4.638 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(OC(C)C)c2)=C(O)C(=O)N1Cc1ccccn1 170274335 DUWDZVHPLORHKK-XMMPIXPASA-N 442.515 4.956 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@@H]1c1c(C)[nH]c2ccccc12 170311566 XGBCKXFBHNYEIM-DEOSSOPVSA-N 440.499 4.854 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2sccc2C)cc1C 170316736 HRLIMCVYLINGGM-NRFANRHFSA-N 448.544 4.855 30 10 IJEE CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)cc1 170474403 WAOOJRLISFEMPD-NRFANRHFSA-N 443.459 4.726 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccc(Br)cc1F)NCC 407016074 QOIGTZJWVALQLW-ZWKOTPCHSA-N 429.374 4.968 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1c(F)ccc(Br)c1F)NCC 407364449 TXQIEDFMFFWOJR-HOTGVXAUSA-N 433.337 4.717 30 10 IJEE CSc1nc(O)c(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1C#N 447238498 NWOSMANIVNLSLB-SNVBAGLBSA-N 444.969 4.957 30 10 IJEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 460934142 AJTPZDOKTPTKRS-OALUTQOASA-N 448.489 4.926 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc(NC(=O)c3ccc(C)s3)sc2c1 495258801 FUSZIBOBKKKBON-RDTXWAMCSA-N 427.551 4.838 30 10 IJEE C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 508882126 VCTILFILDORQBZ-HXUWFJFHSA-N 445.611 4.585 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 520140044 RHMUJICEGGBFQD-UHFFFAOYSA-N 435.480 4.536 30 10 IJEE COc1ccc(N2C(=O)C(Nc3cccc(C#N)c3)=C(Sc3ccccc3)C2=O)cc1 526657680 QWSIRZRBQOBNQG-UHFFFAOYSA-N 427.485 4.556 30 10 IJEE CCOc1cc(/C=N\n2c(CC)nnc2SCc2cccc(F)c2)cc(Cl)c1O 526825196 NUQQVQKEAPHFFJ-KSEXSDGBSA-N 434.924 4.912 30 10 IJEE CCCOc1ccccc1/C=N\n1c(CC)nnc1SCc1ccc(C(=O)OC)cc1 526827909 NQRYFODHHSGABS-IWIPYMOSSA-N 438.553 4.590 30 10 IJEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 559006315 NKIPXZKLZPKFMZ-MSOLQXFVSA-N 436.478 4.782 30 10 IJEE CCOc1ccc(Br)cc1CN(C(=O)NCc1ccc(C#N)cc1F)C1CC1 609254617 VFZHSWRGUCKMMM-UHFFFAOYSA-N 446.320 4.733 30 10 IJEE C=CCN(C(=O)CCc1ccc(C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 684073530 INJIXROBXPRPTQ-UHFFFAOYSA-N 440.590 4.674 30 10 IJEE C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C#N 732586208 GERDPBXIPNRUJL-NTUVXCKYSA-N 440.499 4.811 30 10 IJEE C=CCc1ccc(OC(=O)c2ncc(Br)cc2Br)c(OC)c1 758846558 YWJKAZATJLKVAO-UHFFFAOYSA-N 427.092 4.563 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCC(OCC(C)C)CC2)c1=S 764911437 RSSAUSGLXUFLFS-UHFFFAOYSA-N 430.618 4.582 30 10 IJEE C#CCN(C(=O)Nc1ccc2oc(C)nc2c1)[C@H]1CCOc2ccc(Br)cc21 766122635 LOQVPMKOECOXOD-SFHVURJKSA-N 440.297 4.890 30 10 IJEE C=C[C@](C)(CCOC)COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 784613712 CZUOIIOFXPZDRE-SULFGKICSA-N 435.511 4.510 30 10 IJEE N#CCSCCCOC(=O)c1cccnc1Oc1ccc(F)cc1Br 805411160 LLNZNSBRUBWSML-UHFFFAOYSA-N 425.279 4.579 30 10 IJEE C#C[C@@H](NC(=O)NCc1cc(-c2c(OC)ccc3ccccc23)no1)c1ccc(F)cc1 812897979 SUVFOALTGRNXHN-OAQYLSRUSA-N 429.451 4.816 30 10 IJEE O=C(CCSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)Nc1ccccc1 1084057036 COQLJBSUERODRG-UHFFFAOYSA-N 435.340 4.678 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(Br)c(C)c2)nnc1-c1ccco1 1127211341 KNVUZBWUIMEHIY-UHFFFAOYSA-N 448.342 4.883 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1 1129702460 GVCDQQUKJKOSGV-CQSZACIVSA-N 434.330 4.848 30 10 IJEE C=CCc1ccc(OCC(=O)OCc2cccc(Br)c2Cl)c(OC)c1 1129722804 ODYZAFRBEALEGC-UHFFFAOYSA-N 425.706 4.962 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C)cc1O[C@@H](C)CC(C)C 1137539335 YFXOWCXMKUBBTN-FPOVZHCZSA-N 430.589 4.731 30 10 IJEE C#Cc1ccc(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(Cl)c1 1157893701 OITHCOZJDIAMHT-UHFFFAOYSA-N 430.891 4.799 30 10 IJEE C=CCC(C)(C)CNC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1159426982 LFAWGINPLKENIR-NRFANRHFSA-N 443.385 4.568 30 10 IJEE Cc1ccc(N2CCC(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)CC2)nc1 1162667805 HXWXXUJENXEFHY-KRWDZBQOSA-N 430.474 4.566 30 10 IJEE CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1C[C@@H](OCC)C12CCCC2 1167442728 IFRKKKRSRTUKAI-LEWJYISDSA-N 429.630 4.887 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1Cl 1188289110 FLYWOJMABVULEN-MAUKXSAKSA-N 428.863 4.845 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1 1203618562 CYCZPRGQZQVHAY-UHFFFAOYSA-N 440.540 4.823 30 10 IJEE C=CCc1cc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC 1208661157 DCSGXAHXLZIANA-UHFFFAOYSA-N 449.878 4.583 30 10 IJEE COc1ccc(CN(C(=O)Nc2cc(OC)c(C#N)cc2F)[C@H](C)C2CC2)c(OC)c1 1219580354 AMBUNZUTLPMOGL-CQSZACIVSA-N 427.476 4.556 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CC[C@@]4(CCCCN4C(=O)OC(C)(C)C)C3)cc21 1220204373 LBCUADZFHXPQGV-DEOSSOPVSA-N 439.560 4.620 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](COC)c1cccc(Br)c1)c1ccc(Cl)cc1F 1230509676 AUEACLVSKQCBMF-QZTJIDSGSA-N 439.712 4.603 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1)c1ccccc1 1230626103 YBNMYMCIRWUTOP-IFMALSPDSA-N 431.374 4.749 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cc(N(C)C)nc2ccccc12 1275390144 VCVOPGUEOOHFIO-UHFFFAOYSA-N 426.314 4.880 30 10 IJEE C=CCn1c(SCC(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)nnc1-c1ccc(Cl)cc1Cl 1278276370 NUPRROUARAQLLO-VNHYZAJKSA-N 437.396 4.835 30 10 IJEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCO[C@H]1c1ccccc1 1286431381 WXNPCQXAYBBWHC-AHWVRZQESA-N 430.596 4.642 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@H](C)c1nccs1 1286434481 LJDFDSKTFMEVBJ-LJQANCHMSA-N 435.622 4.602 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1C[C@@H](C)N1CCC(C)CC1 1286528729 MPCFSAHSDCHJLG-AJTFRIOCSA-N 449.643 4.532 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 1286567580 RKWQXQHDDOYKIC-PTLVVNQVSA-N 449.599 4.582 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286635894 FRSZZTWDJOGJLS-LJQANCHMSA-N 443.020 4.978 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1286643643 QBMXEAQSFXSWHN-GOSISDBHSA-N 445.995 4.916 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)c2nc(C)cs2)CC1 1286654956 INWSKFNFOOLVSR-CQSZACIVSA-N 428.993 4.965 30 10 IJEE C=CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286694629 WDGGHGIZPBNJTM-QHCPKHFHSA-N 439.648 4.756 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1CCCc1c[nH]nc1C 1286748953 GUODWBRRSKAXKG-UHFFFAOYSA-N 433.585 4.567 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCSC[C@H]1C 1286796119 OVOONVXIFZQEFL-MRXNPFEDSA-N 441.988 4.548 30 10 IJEE C#CCOc1ccc(F)cc1NC(=O)c1cc(C)c(Cl)cc1I 1294180921 QRWBUCGYGWEQBA-UHFFFAOYSA-N 443.643 4.656 30 10 IJEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(CC)CCCC1 1295746617 ARIFKHMZSUDOQB-QFIPXVFZSA-N 437.588 4.704 30 10 IJEE CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C1 1296688367 CQQFNJHYSKCBIP-IBGZPJMESA-N 447.608 4.746 30 10 IJEE CN(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1)C1CCCCC1 1298037319 GYJWIGDWYRAKNM-QHCPKHFHSA-N 426.653 4.651 30 10 IJEE C#CCCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C)[C@@H]1CC 1300362550 QXPDXGRMCMRHPJ-FPOVZHCZSA-N 443.636 4.821 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1300896231 DBQFJKVHTNHCAG-FVJLSDCUSA-N 446.020 4.943 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)[C@H]2C[C@@H](OCC)C23CCCC3)nnc1C(C)(C)C 1300896463 FQQGXFZGYHNLRT-BURNTYAHSA-N 430.637 4.731 30 10 IJEE C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](OC(C)C)c2ccccc2OC)CC1 1301078562 RPBBILYPZXZPBF-HSZRJFAPSA-N 433.556 4.671 30 10 IJEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1cccc(O)c1 1301149657 CZMYFCWQSDNVIC-MRXNPFEDSA-N 437.544 4.511 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(C)(C)C)n1C[C@](C)(O)c1cccs1 1301334265 GBYSTXQHXRQNSJ-DEOSSOPVSA-N 440.613 4.746 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(COc2cccc(C)c2)n1CC1=CCCOC1 1301364916 CKYODGYBOKXSDS-UHFFFAOYSA-N 436.581 4.766 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)c1ccccn1 1301394337 NMHSOUSLDAQZJD-UHFFFAOYSA-N 426.568 4.901 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1occc1C 1301415641 XVAARFBQCPHBGV-MRXNPFEDSA-N 426.586 4.720 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1301420987 MTQZAAYPUDVHAT-RBUKOAKNSA-N 433.478 4.749 30 10 IJEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cc(C)cs2)cc1 1301526010 LKDSHDZUPYPDOE-HXUWFJFHSA-N 438.597 4.792 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCN2CCC(C)CC2)C1 1301543302 XPZXOVJTURXKKL-QFIPXVFZSA-N 444.023 4.502 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCC2(C)C)C1 1301565998 INISECUUKWFMPE-JTHBVZDNSA-N 438.616 4.680 30 10 IJEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1301596921 DGZXAJZOOHNINB-IBGZPJMESA-N 434.556 4.745 30 10 IJEE COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3CCCCN(Cc4ccccc4)C3)c2c1 1307134361 CGFOZJKAAYXESJ-FQEVSTJZSA-N 430.552 4.838 30 10 IJEE C=CCn1c(S[C@@H](Cc2ccc(F)cc2)C(=O)OCC)nnc1-c1ccccc1C 1307312312 PISWUCSCDPESFS-FQEVSTJZSA-N 425.529 4.845 30 10 IJEE C=CCOc1ccc(Br)cc1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 1308809266 MDZNVWVNCYDKHO-ZDUSSCGKSA-N 434.290 4.751 30 10 IJEE C[C@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F 1309158506 BLTIKHPWLFXVBB-SNVBAGLBSA-N 429.357 4.773 30 10 IJEE Cc1c(S(=O)(=O)N2CCCc3c(OC(F)F)cccc32)sc2ccc(C#N)cc12 1309522984 BMRQNIMMYMZIOT-UHFFFAOYSA-N 434.489 4.824 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 1310862051 BRJPDTIWRNAPJH-UHFFFAOYSA-N 431.330 4.920 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)C(C)C 1311388435 OCLBYXGCMHDITG-UNMCSNQZSA-N 441.513 4.984 30 10 IJEE C=CC[C@]1(C(=O)NCCCO[C@H]2CCCc3ccccc32)CCCN1C(=O)OC(C)(C)C 1353692631 GZEQITITDFDCLA-BKMJKUGQSA-N 442.600 4.933 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(c2ccccc2)C2CCN(C)CC2)s1 1355576024 FQPFNKHXGLJDMK-UHFFFAOYSA-N 436.046 4.966 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1358924527 ZOAUAMIPNVXOMC-ZWKOTPCHSA-N 430.955 4.794 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)c2ccccc2)CC1 1359161157 RROBTLYZAOENFB-MRXNPFEDSA-N 426.362 4.996 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCCC[C@H]2C)CC1 1359168355 QRVJHRXMXQRWRG-HSZRJFAPSA-N 437.632 4.895 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359199200 OIPWEDVTCBPFCM-LJQANCHMSA-N 444.023 4.644 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1csc(C)n1 1359224059 FEBSGDBBXDFOPF-GOSISDBHSA-N 444.992 4.693 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C)n1C[C@@H](c1cccs1)N1CCCC1 1359259966 OFKWWTDFDZBRTC-NRFANRHFSA-N 425.577 4.817 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2oc(CCC)nc2C)C1 1359314994 MGGSRXUEBNTWTO-IBGZPJMESA-N 441.963 4.677 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCO[C@@H]2CCCC[C@H]2C)C1 1359316896 YHBSMNCUZQSWGI-STZQEDGTSA-N 445.007 4.975 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2sccc2C)C1 1359325530 HSVZDPBKRVJDBW-IBGZPJMESA-N 444.988 4.710 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)cc1OC 1361160940 RFWJIZNZWMNCQK-ACWSPVJKSA-N 446.591 4.788 30 10 IJEE O=C(c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCc2c(F)cccc21 1435829170 ASWWXRHINHTQEM-UHFFFAOYSA-N 437.311 4.911 30 10 IJEE N#Cc1cccc(OCc2ccoc2C(=O)Nc2nnc(-c3c(F)cccc3F)s2)c1 1438279362 BWZMMLVSSKJRBS-UHFFFAOYSA-N 438.415 4.779 30 10 IJEE C=C[C@@H](C(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1)c1ccccc1 1442477339 ZWECGSIONILOJE-AREMUKBSSA-N 440.543 4.520 30 10 IJEE C=C[C@@](C)(O)CC(=O)Nc1cc(-c2ccc(Br)o2)nn1-c1cc(C)cc(C)c1 1444496885 COUJJFKTCSZKKD-OAQYLSRUSA-N 444.329 4.777 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CC=C(C)C)Cc2ccc(Cl)cc2)c1 1448296697 BCBRCFBCLQAMGC-UHFFFAOYSA-N 429.969 4.746 30 10 IJEE CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)CC1 1460469615 GLOOUBNRINMHRH-RDJZCZTQSA-N 447.670 4.557 30 10 IJEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OCc2ccccc2)cc1 1464642004 RVNTXGKKJBWJAB-AREMUKBSSA-N 431.557 4.967 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 1470656370 AYTKEZJGAQJSMF-SJBKTWHCSA-N 443.563 4.569 30 10 IJEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H](c2ccc(Cl)cc2)C2CCCC2)c1 1475251765 YNOCJYAGBFVYPZ-QFIPXVFZSA-N 447.000 4.808 30 10 IJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1475841535 PHPSSEFZTRTSLO-GHDARCQNSA-N 447.645 4.904 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1coc(-c2ccccc2)n1 1476728899 NASAWNILAIUHAJ-UHFFFAOYSA-N 428.286 4.991 30 10 IJEE CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1cc(CC#N)ccn1 1476947620 HXZDUMNKYXJJMT-UHFFFAOYSA-N 436.537 4.851 30 10 IJEE C#CCN(C(=O)N[C@H](C)CCc1ccccc1)[C@@H]1CCOc2ccc(Br)cc21 1477263069 VYUCLEDXEWABDA-DYESRHJHSA-N 441.369 4.939 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)Sc1ccc(Br)cc1 1478010441 KVJHAMURRFJADY-YOEHRIQHSA-N 427.408 4.600 30 10 IJEE C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2)c1ccc(Cl)cc1F 1478901381 SEIOKWDJUKZBNX-IBGZPJMESA-N 449.954 4.729 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCc1cccc(C)n1 1507530638 VTVDEOMGKXPUBZ-FQEVSTJZSA-N 441.535 4.521 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccnc(OCC2CC2)c1 1507545301 CLIKTSVVXKZSPQ-LJQANCHMSA-N 447.608 4.569 30 10 IJEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1507561608 COHZDQMLFMWIQF-NRFANRHFSA-N 443.555 4.511 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCCCC(F)(F)C1 1507642969 DOFNWBFZOAEVNA-LJQANCHMSA-N 448.521 4.624 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1C[C@H]1CCCCN(Cc2ccccc2)C1 1507659652 BZFGHSMVSSEKIN-NOZRDPDXSA-N 431.628 4.557 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](OC)c1ccccc1 1507680736 LPEYQQYSBUNEKE-WIYYLYMNSA-N 434.609 4.979 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1507794797 ATHLWRSTUZFHHG-QTEQDKRBSA-N 426.580 4.981 30 10 IJEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCCC[C@H]2C1 1507845733 OIVXRCSOOKYPLO-MOPGFXCFSA-N 430.543 4.756 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCC[C@H]2CCCCO2)CC1 1507892261 NWOUHYLDBRCBEC-OAQYLSRUSA-N 440.588 4.762 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1CCN(CCC(C)C)CC1 1507981923 LVVDUUWIFWYUGI-UHFFFAOYSA-N 448.615 4.980 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCC[C@H](C)C1 1508004668 PAXFUYUQBJOQQP-JTHBVZDNSA-N 444.627 4.962 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1CC(C)(C)C1 1509949364 CORDNHMDAIGXMI-MJGOQNOKSA-N 444.624 4.567 30 10 IJEE C#CC[C@@]1(C(=O)Nc2cc(OC)ccc2OCCCC)CCCN1C(=O)OC(C)(C)C 1514586196 MCKQKEJKTJBKDS-DEOSSOPVSA-N 430.545 4.606 30 10 IJEE CCCc1noc2nc(CC)cc(C(=O)N(Cc3ccccc3)c3ccc(C#N)cn3)c12 1525823163 FVRTXDZGLFJTJI-UHFFFAOYSA-N 425.492 4.851 30 10 IJEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2cc(C#N)ccc21)c1ccccc1C(F)(F)F 1528210599 DTCZHVMHSUKWFN-IBGZPJMESA-N 445.441 4.732 30 10 IJEE C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(SCCOC)cc2)CCCN1C(=O)OC(C)(C)C 1528953172 CZXVGPGOZRVVJE-KOSHJBKYSA-N 448.629 4.948 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)O[C@@H](Cc3ccc(Cl)cc3)C(F)(F)F)C2)c(F)c1 1530956998 HJJPVRSMIDVERM-KXBFYZLASA-N 440.824 4.894 30 10 IJEE CCN(CC)CCO[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 1534256025 GQRTXOMNACFUFI-JOCHJYFZSA-N 441.959 4.577 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)cc1OC 1534449506 ALKOPYDXBVXTFJ-BENRWUELSA-N 446.503 4.991 30 10 IJEE O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1ccn(-c2ccc(F)cc2F)n1 1537303689 FIYBTGZNKAALDD-MRXNPFEDSA-N 447.310 4.785 30 10 IJEE C=CC[C@H]1N(C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CCCC1(C)C 1538657369 LHVNJPAKOOXJKV-LEWJYISDSA-N 430.589 4.724 30 10 IJEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2ccccc2Br)C1 1539053458 SJNVCQHHBVRJOC-XLIONFOSSA-N 445.405 4.936 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@](C)(O)C(C)C 1539298988 CGQUFCZEAJOSPN-HSZRJFAPSA-N 441.000 4.683 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCCc3cc(CCNC(=O)OC(C)(C)C)ccc32)cc1 1539465065 FEDVXARKUWUMHF-UHFFFAOYSA-N 448.563 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1539549733 QQFKDWKRXIDXPK-NDIWIEOSSA-N 436.600 4.787 30 10 IJEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CCC 1539793711 KMHJRNFXHNWRQA-MRXNPFEDSA-N 442.995 4.861 30 10 IJEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1539974146 LJQCITQWXPQTCV-SFHVURJKSA-N 428.531 4.972 30 10 IJEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CN(C)Cc2ccccc2)CC1 1539998729 OGTVLQJYYIICOO-XMMPIXPASA-N 437.632 4.834 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc[nH]2)n1CC1(CC)CCOCC1 1540118901 BVABAQNYTPEDAT-UHFFFAOYSA-N 435.572 4.681 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CC1CC(F)(F)C1 1540128666 OLMVMTIKZKYWGG-FQEVSTJZSA-N 427.499 4.629 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCCO2)n1CCN1CCC[C@@H](C)C1 1540147583 TUTRYLVROGGLNW-TZIWHRDSSA-N 429.634 4.506 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N(C)Cc1cc(C)cs1 1540881091 YAHOVLUUIFPTNT-UHFFFAOYSA-N 445.592 4.883 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC2CCCC2)C1 1540885192 DECGMAJGNMMQBV-NRFANRHFSA-N 430.980 4.729 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(Sc3ccccc3)cc2)c1 1545941029 ZTFMEQOEMKNXMW-UHFFFAOYSA-N 435.570 4.565 30 10 IJEE CN(CC(F)(F)F)c1nnc(-c2ccccn2)n1Cc1ccc(F)cc1C(F)(F)F 1554139321 CRBMWUIERSWLDV-UHFFFAOYSA-N 433.331 4.545 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C)c(Br)cc1F 1556844385 UTCOECXKAINCTM-UHFFFAOYSA-N 430.277 4.899 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 1561074968 QSRZXZMTOUJMRY-YSIASYRMSA-N 426.534 4.627 30 10 IJEE C=CCC[C@H](NC(=O)NC[C@@H](O)COc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 1564406301 CSIKCQHAZCDEGU-QUCCMNQESA-N 440.437 4.591 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 1564406751 NGATVMUZELXHSY-AZUAARDMSA-N 437.506 4.946 30 10 IJEE C#CCN(C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 1564519637 VJYXFZMKHCKTGJ-XXBNENTESA-N 439.600 4.744 30 10 IJEE C[C@@H](NC(=O)N1CCN(Cc2cccc(F)c2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 1564543295 DGMSQPGPBAZLNT-HXUWFJFHSA-N 442.538 4.953 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 1585491531 PBOSXDOHDQBXCP-HXUWFJFHSA-N 440.609 4.501 30 10 IJEE N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(Br)c(C#N)n3)cc2)cc1 1585749572 CMLJTLCUVLFAOT-UHFFFAOYSA-N 433.265 4.826 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 1587234882 YMASPPVWSMJFFJ-KXBFYZLASA-N 428.374 4.988 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(C)CCOCC1 1587567372 FJDYUPLEXXAHBE-QGZVFWFLSA-N 435.597 4.652 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)c1cccs1 1587580388 PHSDHKJTUTZQOT-KXNSMUHISA-N 440.638 4.559 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@](C)(O)[C@@H](C)CC 1587909392 JYQLOGPUDPQPPM-BSRJHKFKSA-N 432.996 4.555 30 10 IJEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1588453055 YYNMMCDUPFYAMF-PGRDOPGGSA-N 445.007 4.811 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1ccoc1C 1589570926 XKGQPJQEDXJDOU-ZJSXRUAMSA-N 436.556 4.685 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCC[C@H]1OC 1589625999 QPPDENRHPPYMBC-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 1589669279 OUQXJBXUTYKBBU-RUZDIDTESA-N 444.627 4.812 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1589676320 QDZIJTXUALWDRF-NRFANRHFSA-N 427.593 4.775 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1C[C@H](C)O[C@H](CC)C1 1589731219 DDBBKNAOXCCIMH-DZGCQCFKSA-N 439.785 4.941 30 10 IJEE C=C(Cl)Cn1c(N(C)C[C@H]2CC=CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593932745 OQDKHILRLRWALM-OKZBNKHCSA-N 436.000 4.594 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2CCC(C)CC2)CC1 1594218788 SSLHSFQZQGPYNH-UHFFFAOYSA-N 437.632 4.868 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2cc(F)ccc2C1 1594448846 NSUOMIFWQGIKKK-UHFFFAOYSA-N 427.568 4.501 30 10 IJEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1594992872 UZROUFFDLHELQA-FGZHOGPDSA-N 434.632 4.661 30 10 IJEE C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](OC)C(C)C)C1CC1 1595037414 CWTNHQJSAHVPKT-LJQANCHMSA-N 449.393 4.542 30 10 IJEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C1CCCCC1)C1CC1 1595070726 KKNSBXICDMXJAL-FGZHOGPDSA-N 429.653 4.616 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCOC[C@@H]1C)C(C)C 1595165724 LBROZPIOLPJYPB-UGKGYDQZSA-N 444.023 4.522 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1CCCc1ccnc(C(C)(C)C)n1 1595195885 CKGGTOOYUXLJLA-UHFFFAOYSA-N 434.563 4.983 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 1595884241 IILNLJJENOCXRE-JTHBVZDNSA-N 439.673 4.844 30 10 IJEE C#CCN(C(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)[C@@H]1CCCc2ccccc21 1611222683 HUBRBZAWQBTNEN-HSZRJFAPSA-N 429.516 4.582 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 1615595741 JZVZWXXBMSUYRG-GOSISDBHSA-N 446.576 4.749 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H](C)c2ccc(-c3ccccc3OC)cc2)c1 1615721718 RPADLNYSOPPLRK-LJQANCHMSA-N 441.531 4.685 30 10 IJEE C=CCC[C@@H](NCc1nc(O)c2ccc(C(=O)OC)cc2n1)c1ccc(C(F)(F)F)cc1 1616672011 ZKCBNFYHDGYQBZ-GOSISDBHSA-N 445.441 4.938 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 1616734782 KLIFVJASSXIASG-UHFFFAOYSA-N 435.417 4.929 30 10 IJEE N#Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Br 1621588932 IBIQVKWVXQCRRX-UHFFFAOYSA-N 441.350 4.712 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C)c1ccc(C(F)(F)F)cc1 1621949524 POQMNNXZWDNEAL-GOSISDBHSA-N 441.471 4.786 30 10 IJEE N#Cc1c(F)cc(C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)cc1F 1628341284 HARZOUZXYKJBFD-UHFFFAOYSA-N 425.660 4.714 30 10 IJEE COc1ccccc1Cn1cnc2cc(C(=O)N(CCC#N)c3ccc(F)cc3)ccc21 1632640605 FFGLKKMNZKSCQM-UHFFFAOYSA-N 428.467 4.793 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C[C@@H]2C1 1634448736 HLKMETRYSFBUAB-BGYRXZFFSA-N 449.576 4.648 30 10 IJEE C#CCOc1ccc(CNC(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)cc1 1635495148 UAKKFQXXLMHXDM-AREMUKBSSA-N 445.607 4.531 30 10 IJEE C#C[C@@H](NC(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C)c1ccc(F)cc1 1636548220 NLLBTGQIAVDBOC-CLJLJLNGSA-N 435.587 4.875 30 10 IJEE C=CCC[C@H](NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)c1ccccc1 1636822138 ZVPYJIWIMAKHDK-YADHBBJMSA-N 438.572 4.892 30 10 IJEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C 1642459612 QTFWOAOWWYRPLB-UHFFFAOYSA-N 426.520 4.775 30 10 IJEE C=CC1(CC(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)CN(C(=O)OC(C)(C)C)C1 1642643844 CEJUWHKSCHTNIH-UHFFFAOYSA-N 433.936 4.646 30 10 IJEE C=CCn1c(SC2CCN(C(=O)OC(C)(C)C)CC2)nc2sc3c(c2c1=O)CCC3 1651629064 AGARQJVRFKCUQT-UHFFFAOYSA-N 447.626 4.624 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 1652234580 HQUPDVZJIWBFDM-AWEZNQCLSA-N 437.327 4.629 30 10 IJEE C#CCN(Cc1ccnn1-c1ccc(F)cc1)[C@@H]1CCOc2ccc(Br)cc21 1659177879 QZLLFXROAKMQAK-OAQYLSRUSA-N 440.316 4.733 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 1662945755 COOUNHQPTDGBFD-HNNXBMFYSA-N 430.517 4.849 30 10 IJEE CN(CCC#N)S(=O)(=O)N[C@@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 1662975879 DUPXZGWQPHZVCC-QHCPKHFHSA-N 427.570 4.780 30 10 IJEE C=CCC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1665595617 OWYAQYNZRZDAKG-GOTSBHOMSA-N 441.641 4.597 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 1666383599 HQAFFRDOENAODS-YLJYHZDGSA-N 426.586 4.903 30 10 IJEE Cc1ccc(C2=NO[C@@H](CNC(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)cc1 1668491747 FZSFBNJWPZUANB-HSZRJFAPSA-N 426.476 4.974 30 10 IJEE COC(=O)c1cc(Br)cc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1C 1671065800 HPOQIDJHNBPJIR-CYBMUJFWSA-N 430.302 4.641 30 10 IJEE C=CCCC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 1671072038 DGBNJTXBPWUMMT-LEWJYISDSA-N 429.923 4.981 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 1673046116 LYBJMMBLNAYTBC-BEFAXECRSA-N 449.979 4.990 30 10 IJEE C=CCCSCCNC(=O)N1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1674228449 TVPOGVHGPJWKGR-UHFFFAOYSA-N 447.645 4.564 30 10 IJEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cc2n1 1675013161 UFZGRTKLCGSOPL-GOSISDBHSA-N 441.482 4.614 30 10 IJEE C#CCC1(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CCCCC1 1675207225 AKARJHAJGOSQBR-IBGZPJMESA-N 425.573 4.941 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@@H](Cc1cccc(Br)c1)CC1CC1 1677638858 JXOVKODNODZRRC-OAQYLSRUSA-N 441.369 4.672 30 10 IJEE C=CCCCCCCCNC(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1682958648 VAPUMZAKJGDHJD-IBGZPJMESA-N 431.543 4.736 30 10 IJEE C#CCN(C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 1684429046 UFFPEVXUVNKVMJ-KJXAQDMKSA-N 439.600 4.792 30 10 IJEE C=CCC[C@H](NC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C[C@H](C)O2)C1)c1ccccc1 1685799371 VGNDDBILAPRDSS-RIACCQAKSA-N 433.596 4.769 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1 1687036335 LMGWPFISWINODW-FCHUYYIVSA-N 429.605 4.900 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC[C@@H](OCC)C1CCCC1 1689948881 JGWMBBFYOULYTB-HXUWFJFHSA-N 445.405 4.762 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H]1CCCCO1 1690161531 ITYDTQVSDZJUIF-IBGZPJMESA-N 444.670 4.647 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)CCC 1690241591 USWSHIYVYUMQNL-CVDCTZTESA-N 436.556 4.945 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1690263907 KVPLFHLDMBROGC-NRFANRHFSA-N 440.592 4.500 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](OC)[C@H](C)CC)CC1 1690415692 VBOJRTRYVOKDAJ-DYESRHJHSA-N 432.996 4.974 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1690424277 JKIDRDBZRGGFJE-FQEVSTJZSA-N 439.604 4.993 30 10 IJEE C=CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1C 1690493860 UVESOGUYFUAUQG-UHFFFAOYSA-N 431.009 4.868 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNC(=O)OC(C)(C)C 1690585143 DSYLAEASAWJNLY-UHFFFAOYSA-N 448.571 4.505 30 10 IJEE C=CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([C@H]2CCOC2)CC1 1690735852 KRCZQWQNDDJSRH-GOTSBHOMSA-N 440.657 4.992 30 10 IJEE CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)C1(C)C 1696192338 GRBQETWOFVRJFZ-RBUKOAKNSA-N 429.515 4.502 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1[C@H]1C[C@H](c2ccccc2C)C1 1705480570 SUUCQVNDFZKQLK-JFIYKMOQSA-N 438.373 4.921 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1705577184 DDNAHPRZYOOKTQ-BJLQDIEVSA-N 437.385 4.525 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@](C)(O)[C@H](C)CC)CC1 1705779989 AVALWPPFGYISBT-CJAUYULYSA-N 435.572 4.800 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCC2)C1 1705788636 HMKCXBXXRXTTSF-UHFFFAOYSA-N 425.533 4.605 30 10 IJEE C=CC[C@@H](Cn1c(CC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 1705796974 NXUJWAVGOHNWAM-URXFXBBRSA-N 449.643 4.675 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCO[C@@H]1CCCC[C@H]1C 1705836662 AWYFRHRYKSIGTP-VQIMIIECSA-N 433.394 4.925 30 10 IJEE C=CCN(c1nnc(-c2ccccc2Br)n1CCN1CCC[C@@H](C)C1)C1CC1 1705851250 ZLEKFHIMHFMWQU-QGZVFWFLSA-N 444.421 4.594 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C)nc1 1705865522 MBQFXDQDKSNUOH-UHFFFAOYSA-N 436.972 4.999 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1Cc1cccc(NC(C)=O)c1 1705865653 PXLBYJAQQBSCLN-UHFFFAOYSA-N 432.553 4.534 30 10 IJEE C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705949460 ZGBBKOQOACNUQP-NRFANRHFSA-N 444.645 4.869 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)c2ccccn2)c2ccccc2n1 1707251036 BDNUWDYWAMEJGU-IBGZPJMESA-N 439.567 4.913 30 10 IJEE COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C3CC3)CC2)c1 1711710810 DFCLBUVLKKZYIT-AWEZNQCLSA-N 444.377 4.502 30 10 IJEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722340305 UEERHNFCIRRLHG-DEOSSOPVSA-N 449.643 4.527 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCSC[C@H]1C 1722625500 SHSPZPVYZPOXLS-CQSZACIVSA-N 427.401 4.786 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1726853918 ICDPYSKVGSVAGX-PZGSVQSZSA-N 448.571 4.791 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1(N(C)C)CCC1 1740532706 KWFDCSJECVKCKG-RBUKOAKNSA-N 444.023 4.631 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)c1c(C)noc1C 1740540003 XEHANNBYMXPMCQ-KGLIPLIRSA-N 442.361 4.574 30 10 IJEE C#CCCCCn1c(CC(C)C)nnc1N(C)Cc1cc(OC)ccc1Br 1740575687 UXMIUEOSLAWNSJ-UHFFFAOYSA-N 433.394 4.688 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CC(F)(F)Br 1740665371 ZZBHEPHPNSDBHJ-UHFFFAOYSA-N 438.103 4.699 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(OC(C)C)nc1 1740728231 RVENZSNBJMJXFH-XMMPIXPASA-N 435.959 4.821 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCC1(F)F 1740728260 SNHPVJIUFULPSA-UZUQRXQVSA-N 444.526 4.780 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740732848 SBGQWBPWNKOYQF-RXYILKCJSA-N 447.671 4.926 30 10 IJEE C=C(Br)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)=C(C)C1 1740748286 JTFAAQUJQNRQNA-UHFFFAOYSA-N 431.378 4.929 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(C)(C)C)C1 1740758664 AHWYIRAZZFECOM-IMSXRSKXSA-N 438.616 4.731 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@](C)(O)C2CC2)CC1 1740841858 CRLFWCVPWQEJSG-QFIPXVFZSA-N 433.021 4.787 30 10 IJEE C=CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H]1CC)c1ccccc1 1740855675 KSTDHMHZELBKOI-IBXSQZDTSA-N 438.616 4.987 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1CC[C@@H](OC)C(F)(F)F 1740914905 NEKRDWSCSVDYJW-GOSISDBHSA-N 435.494 4.607 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCO[C@H]1C(C)C 1740918025 JEWJHIYDTOTJNL-RDGATRHJSA-N 431.584 4.518 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H](C)c1nc(C)cs1 1740939572 DHHMPUBRKIXEPX-QGZVFWFLSA-N 448.596 4.701 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCSC2(CCCCC2)C1 1740949377 FMUAEBJSTONVOM-SFHVURJKSA-N 447.649 4.792 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1Cc1sccc1Br 1741798161 GELVBFCFJLCKGX-LBPRGKRZSA-N 434.338 4.695 30 10 IJEE Cc1csc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCCC2)c1 1742530405 FVYSPCPHMQYNLY-HXUWFJFHSA-N 448.640 4.945 30 10 IJEE CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(C)cn1 1745642617 FZUZCZCRVQRHCB-UHFFFAOYSA-N 445.596 4.543 30 10 IJEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1747778428 FMDBMZFYOKHRHF-VXKWHMMOSA-N 433.556 4.887 30 10 IJEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1748701325 GSOATEWEUNIWDI-PBHICJAKSA-N 426.870 4.558 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC1(c2ccccc2)CCC1 1748775687 QPMXWBIMBOIPJS-UHFFFAOYSA-N 441.398 4.960 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(COC)CC1 1749086181 HTSSDYZMLWEBKN-LJQANCHMSA-N 433.394 4.591 30 10 IJEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C 1749400715 LEKUALRWUQXHLE-PMACEKPBSA-N 447.624 4.568 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1749510325 DXGYTAZKMOITRQ-QFIPXVFZSA-N 445.405 4.804 30 10 IJEE C=CCN(c1nnc(-c2ccc(F)cc2Br)n1CCc1cccnc1)C1CC1 1749511213 GKESWWJAWFQCLK-UHFFFAOYSA-N 442.336 4.639 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)SC 1749528171 FXEDNUDRYVYYAJ-INIZCTEOSA-N 444.004 4.946 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1CC[C@@H](C)N1CCCCC1 1749545209 XRUXRGFZQSXCPZ-NFBKMPQASA-N 441.595 4.726 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(Br)cc2)n1Cc1cccs1 1749579771 WTFDCHKDNCYVRA-UHFFFAOYSA-N 445.386 4.908 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H]2CCO[C@H](C)C2)C1 1749700610 LRIJTTBJNSBZLN-ZIFCJYIRSA-N 448.970 4.724 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCSC2)C1 1760131448 SKHZFVWLAMCDRN-MBSDFSHPSA-N 428.577 4.694 30 10 IJEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1760135422 VLFBPBXJDZQIMV-HXUWFJFHSA-N 435.597 4.699 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1760214327 JZOXSTAGZQNKJH-FPOVZHCZSA-N 444.501 4.785 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCc1nc(C)c(C)s1 1760332061 SEWZUEROZZGPMG-UHFFFAOYSA-N 441.601 4.681 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C)C(C)(C)C1 1760353185 JPAOPXANXIRSSC-IBGZPJMESA-N 442.604 4.818 30 10 IJEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCc2ccccc2)CC1 1760405477 UIIDPWHNLQKAIE-UHFFFAOYSA-N 449.624 4.695 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760411545 OLNNHRARLKYMBD-SFHVURJKSA-N 428.581 4.622 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760412192 XGJSHHUOEKNJSM-UHFFFAOYSA-N 441.645 4.870 30 10 IJEE C=CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760433451 GRPBZBQCKFUMKL-IBGZPJMESA-N 441.645 4.594 30 10 IJEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 1760437981 UVHVZHLXMLAWJE-NRFANRHFSA-N 446.599 4.507 30 10 IJEE C=CCCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1760442253 KSSZQXQZDYJBJE-HDICACEKSA-N 431.378 4.678 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1760443680 XZKZWJPOHYCDDD-GOSISDBHSA-N 430.618 4.578 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@H]1CCC[C@@H](O)C1 1760487901 GVUAZVFTJOIPCV-FCHUYYIVSA-N 436.625 4.869 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1760492608 ZGVWUAIVKONGIR-OAQYLSRUSA-N 439.604 4.981 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(C)(C)C2CC2)C1 1760537851 QWAPJUSIORFZMC-QGZVFWFLSA-N 448.409 4.643 30 10 IJEE Cc1cc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)no1 1761686775 BHCSRVFDCMUREH-FQEVSTJZSA-N 431.327 4.727 30 10 IJEE CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N 1764292558 CSQFORGVGMYPSR-INIZCTEOSA-N 438.601 4.524 30 10 IJEE CCN1C(=O)/C(=C\C(Cl)=C/c2ccccc2)SC1=Nc1ccc(O)cc1C(=O)O 1772762085 HKZMBIWXGYJLDJ-DMRDTUBVSA-N 428.897 4.837 30 10 IJEE CCOc1ccc(CCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1 1859657134 SZPQPXSPOWHGFJ-UHFFFAOYSA-N 439.519 4.879 30 10 IJEE CCCCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(F)cc2F)cc1 1862394381 FPXOSRKHIUQOFN-JOCHJYFZSA-N 443.490 4.922 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(O)c1)c1ccccc1Cl 1862430950 WFXQEAZUYPKKSQ-NRFANRHFSA-N 437.854 4.963 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2C2CC2)c1 1862461399 DVSCFNKUJVJWHC-HXUWFJFHSA-N 431.410 4.633 30 10 IJEE COc1cc([C@@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2C2CC2)ccc1OC(C)C 1862510970 HRUFMZHVXTUKGN-JOCHJYFZSA-N 439.483 4.671 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 1862541649 PFXGKKGCDXDSOF-QHCPKHFHSA-N 435.520 4.809 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@@H]2c2ccc3cc[nH]c3c2)cc1F 1862641232 YAHIULJRYNYQAD-JOCHJYFZSA-N 436.483 4.940 30 10 IJEE O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1)c1cccc2ccccc12 1862648667 HXGKXINMPPQSKJ-XMMPIXPASA-N 437.499 4.705 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 1862674605 YXNIWZMEVJOEGA-QFIPXVFZSA-N 435.426 4.752 30 10 IJEE CSc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3C#N)C2=O)c1 1862777131 SKTRKLKGFAWXIJ-UHFFFAOYSA-N 429.476 4.816 30 10 IJEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(c2cccc3c2CCCC3)C1=O 1863064858 PAIJRJOTIBCOJZ-UHFFFAOYSA-N 449.510 4.842 30 10 IJEE COC(=O)c1c(NC(=O)/C=C/C(=O)c2cccc(OC)c2)sc(C)c1-c1ccccc1 1866233275 WZUNQRNHPXIXFV-OUKQBFOZSA-N 435.501 4.896 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)CCCOc2c(C)cccc2C)n(C(C)(C)C)n1 1870000843 YEGWKKBIQCKGQY-UHFFFAOYSA-N 425.577 4.626 30 10 IJEE N#Cc1nnn(-c2cccc(Cl)c2)c1NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1870147741 FNLDTBTVMKCRBB-OAQYLSRUSA-N 427.895 4.757 30 10 IJEE CCCCCCCOc1cn(CCCCCO)c(CN(C)Cc2ccccc2)cc1=O 1870411923 RKLOLTWAXLQYCR-UHFFFAOYSA-N 428.617 4.992 30 10 IJEE CCCCCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCC[C@@H](C)C1 1870478028 LDUOKRPFZFRVGY-OAQYLSRUSA-N 434.621 4.771 30 10 IJEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CNc1cc(Cl)ccc1C 1871251052 LAPWKYLSRABWRS-UHFFFAOYSA-N 437.927 4.519 30 10 IJEE Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(C[C@H]2COc4ccccc4O2)CO3)C1=O 1871353510 SSEYDLCNAYFVMH-HNJRTNGCSA-N 447.512 4.665 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)CCc4ccccc4)ccc3C2=O)c1OC 1871385642 FJGHVFWTYRHQPF-HAHDFKILSA-N 430.456 4.858 30 10 IJEE COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)Nc4ccccc4OC)c3C)C2=O)c1 1871459546 YXTOISNVBHCOPY-UCQKPKSFSA-N 445.471 4.646 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCc2ccccc2)nc(Nc2ccc(F)cc2)[nH]1 1871515519 DLFDGTJXZZFHTP-UHFFFAOYSA-N 432.547 4.789 30 10 IJEE C=CCN(CC=C)c1nc(=NCc2cccc(C)c2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729645 MAMDQFYQNFRXRV-UHFFFAOYSA-N 436.563 4.711 30 10 IJEE C=CCN([C@H](CCC)C(=O)Nc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc(Cl)cc1 1872098355 XTVHGUYQEPPFPO-OAQYLSRUSA-N 445.972 4.805 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)CCC 1872116479 HETIZUIXAIRCJL-MRXNPFEDSA-N 440.915 4.694 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1)S(=O)(=O)CCC 1872305296 ISVDKTIRNPGFHF-NRFANRHFSA-N 434.989 4.946 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1C)C(C)C)S(=O)(=O)c1cc(C)ccc1C 1872519890 MEVPODGZABZSJK-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cc(C)ccc1C)C(C)C)S(=O)(=O)c1ccc(C)c(C)c1 1872549176 BSUCVNBLEHEYFT-HSZRJFAPSA-N 428.598 4.760 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)COc3ccc(Cl)cc3)n2)c(OC)c1 1872784913 ZYDMJJQCGGHDTA-QGZVFWFLSA-N 428.897 4.736 30 10 IJEE CCCCN(CCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2OC)c(C)s1 1872799268 GBMXHEKPJCRGSA-LJQANCHMSA-N 429.586 4.824 30 10 IJEE C[C@H]1CCCC[C@H]1N1C(=O)C(Nc2cccc(C#N)c2)=C(c2cc(F)c(F)cc2F)C1=O 1873245285 DSWUFTLAZBGOKM-RNODOKPDSA-N 439.437 4.746 30 10 IJEE C=CCNc1ncnc2c1cc(C(=O)Nc1ccc(Br)cc1)n2CC(C)C 1873612565 BGZYNGLRNKHADT-UHFFFAOYSA-N 428.334 4.700 30 10 IJEE COc1cc(/C=N/Nc2ccnc(Cl)n2)ccc1OCc1ccc(Br)cc1 1873795439 JOSGOZFYWXFKDI-FOKLQQMPSA-N 447.720 4.926 30 10 IJEE CCCOc1ccc(C)cc1NC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 1873958823 SKLPNDABXICWDN-UHFFFAOYSA-N 442.519 4.629 30 10 IJEE Cc1cc(OCc2nnc(SCCCO)n2/N=C/c2ccc(F)cc2)cc(C)c1Cl 1874218192 ZKSMQQSNNSHCRQ-WYMPLXKRSA-N 448.951 4.623 30 10 IJEE C=C(C)CSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(O)c(OC)c1 1874278889 IQORYHPMUQSJRR-ZMOGYAJESA-N 442.972 4.981 30 10 IJEE CCCOc1ccccc1/C=N/n1c(SCc2ccc(C(=O)OC)o2)nnc1C(C)C 1874513136 IZULCDYCBIPBSY-YDZHTSKRSA-N 442.541 4.744 30 10 IJEE Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 1874581964 OWUZDYTWTQIXPY-VQHVLOKHSA-N 443.499 4.988 30 10 IJEE COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)c1 1874694485 FYRQSYMJKWGUKT-RMKNXTFCSA-N 432.428 4.548 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC(=O)COCc3ccccc3)c2)c1 1874706367 DJWPRFDABFSHPZ-ACCUITESSA-N 432.472 4.722 30 10 IJEE O=C(/C=C/c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccc(F)cc1 1874708459 DNULVJBGVWXQCI-RUDMXATFSA-N 436.351 4.757 30 10 IJEE COc1cc(C(=O)/C=C/c2ccc(OC(=O)C3CCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl 1875173233 FBOILFGFAIGXMO-SOFGYWHQSA-N 445.855 4.867 30 10 IJEE C[C@H](C#N)c1cccc(C(=O)N2CCC(CN(C)c3ccc(C(F)(F)F)cn3)CC2)c1 1890807280 RFNJGJNFTDBDLY-MRXNPFEDSA-N 430.474 4.716 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)C1CCCCC1 1901482978 LWXHOJRZPKVVHY-LOSJGSFVSA-N 445.563 4.892 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCC)c1nc(CCNC(=O)OC(C)(C)C)sc1C 1922080041 KLJSMQJXGHDUMX-OAQYLSRUSA-N 445.629 4.942 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1984692052 JFSVWPGKEHINBV-ZVOWCHSISA-N 445.563 4.844 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC[C@H]1C#N 1985178825 CUTKWVCOVLIZQO-XHNVNVPESA-N 445.563 4.844 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1c(Br)ccc(Cl)c1F 2041204458 QNOQMGZITQWDPX-CJNGLKHVSA-N 433.749 4.809 30 10 IJEE N#Cc1ccc(N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)cc1Br 2044065333 BNEMOEKKIRFFMW-TYCQWZJGSA-N 440.341 4.922 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1Cl)NC 2047966180 WYQBDFDXEVNRSI-SJORKVTESA-N 429.786 4.540 30 10 IJEE Cc1ccc([C@H](C)n2nc(C(F)(F)F)c(/C=N/O)c2I)c(C)c1 2079091008 VSXDDPQEXMHCKG-CUFAKQEUSA-N 437.203 4.541 30 10 IJEE CC(=O)Oc1ccc([C@H](C2CCC2)n2nc(C3(C)CC3)c(C=NO)c2Br)cc1 2080080822 ZUVRQAZOYBBDPQ-SFHVURJKSA-N 446.345 4.820 30 10 IJEE CCOP(=O)(OCC)c1cn(-c2ccc(F)c(C(F)(F)F)c2)nc1C(F)(F)F 2080391071 WIBXYFREJQGKAS-UHFFFAOYSA-N 434.248 4.940 30 10 IJEE CCCN[C@H](CC#CC1CC1)c1cc(Br)ccc1I 2090187258 DSUHZIOFDOSNIG-MRXNPFEDSA-N 432.143 4.898 30 10 IJEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNc2ccc(C#N)c(Br)c2F)CC1 2105978809 LUYQQHHNALZGHI-MQMHXKEQSA-N 426.330 4.955 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Nc3cc(Br)cc(F)c3C#N)C[C@@]2(C)C1 2172915096 ZFLXXCLNGIVNSR-HKMRUAMVSA-N 438.341 4.907 30 10 IJEE CC(C)(C)OC(=O)N1CCN(c2cc(Br)c(C#N)cc2F)C[C@@H]1CC(F)F 2177296932 FDBXLGZVFXRQGO-LBPRGKRZSA-N 448.283 4.541 30 10 IJEE C[C@@H]1CCC[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ccc(C#N)cc2Br)C1 2181140696 DDOGHVWNIQKRCC-ZUOKHONESA-N 436.350 4.733 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2181141485 LWIGJMRHNULHRT-GOEBONIOSA-N 436.350 4.733 30 10 IJEE CCc1ccc(C#CC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 2231150958 FUAQREFMTPSUIE-UHFFFAOYSA-N 446.591 4.729 30 10 IJEE CC(C)(C)OC(=O)NCC1CCC(C[C@H](O)C#Cc2ccccc2Br)CC1 2235739956 LHZYKSKYMSTJJW-FAFZWHIHSA-N 436.390 4.883 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2ccccc2Br)CC12CCCC2 2235740136 MUXJLVNFDQOHBH-IEBWSBKVSA-N 434.374 4.731 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 2235749829 OHTJWXDWUOTEDZ-IXIUHKBRSA-N 435.406 4.670 30 10 IJEE CC1(C)OB(C2=CCN(C(=O)c3cc(Br)c(F)cc3Cl)CC2)OC1(C)C 2285907880 AMYQSRKKKOZMOU-UHFFFAOYSA-N 444.537 4.645 30 10 IJEE CN[C@H](C#Cc1cccc(Br)c1)C[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 2296220400 XWDBAOBRADZRAR-AZUAARDMSA-N 435.406 4.720 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)[C@]1(NC(=O)OC(C)(C)C)CCCC12CC2 2296280088 WLQSZXJNOWDLNP-PGRDOPGGSA-N 433.390 4.616 30 10 IJEE CC(C)(C)OC(=O)N1[C@H](C(=O)C#Cc2ccc(Br)cc2)C[C@@H]2CCCC[C@H]21 2296289128 OGOIOKVZGCGKIN-UHOSZYNNSA-N 432.358 4.938 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@]2([C@@H](N)C#Cc3ccc(Br)cc3)CCC[C@@H]12 2296296205 LJJKUQFCLWYZPG-JQVVWYNYSA-N 433.390 4.698 30 10 IJEE O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccc(I)cc1 2297535154 YVRNJTXNJRVSLT-UHFFFAOYSA-N 433.167 4.998 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@](C)(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2305316135 JSEVJLZCLBDCRA-BKSPAHHJSA-N 430.589 4.992 30 10 IJEE Cc1ccc(NC(=S)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)cc1F 2313648619 IKLHNLHWBKCPII-UHFFFAOYSA-N 444.535 4.885 30 10 IJEE CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=Nc1cccc(C(=O)O)c1 2314547765 LXZUJRWZNYCGDI-UHFFFAOYSA-N 449.444 4.787 30 10 IJEE C[C@H](Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)NC(=O)OC(C)(C)C 2317346518 JHDLLDOFVAHFKY-VUSFMPOISA-N 431.386 4.830 30 10 IJEE C=CCOc1c(OC)ccc(C=CC(=O)c2ccc3c(c2)OCCO3)c1Br 2323178358 ROUGYIQIUZXUJO-UHFFFAOYSA-N 431.282 4.690 30 10 IJEE O=S(=O)(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 2323353488 IWBKPODFQGZHHR-UHFFFAOYSA-N 435.332 4.885 30 10 IJEE Cc1cc(OC(=O)C=Cc2ccccc2)cc2c1C(=O)C(=Cc1ccc3c(c1)OCO3)O2 2323750135 SDRBGTONJJTHLA-UHFFFAOYSA-N 426.424 4.959 30 10 IJEE COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2N=Cc2ccc(C)o2)cc1 2326807087 QBGOPWLSTYWVQI-UHFFFAOYSA-N 446.532 4.731 30 10 IJEE C=C(C)CSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(O)c(O)c1 2327191068 GKDBLUJMKXJDJZ-UHFFFAOYSA-N 438.553 4.560 30 10 IJEE CCCCC1CCC(c2nnc(SCC(=O)N(CC)CC)n2N=Cc2ccc[nH]2)CC1 2328106778 NRXDTEJOZDBNIZ-UHFFFAOYSA-N 444.649 4.913 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1N=Cc1ccccn1 2328229822 WSTTYYLHDCCOLT-UHFFFAOYSA-N 445.548 4.744 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccc(F)cc2)n1N=Cc1ccco1 2328676187 IDAXXWCERNQORD-UHFFFAOYSA-N 436.512 4.979 30 10 IJEE CCCSc1nnc(COc2ccc(C)c(C)c2)n1N=Cc1ccccc1[N+](=O)[O-] 2328796851 YINFFDLASYLSHI-UHFFFAOYSA-N 425.514 4.766 30 10 IJEE CCCSc1nnc(COc2cccc(C)c2C)n1N=Cc1cccc(OC)c1O 2328858185 GAKBXDNXPAYQOF-UHFFFAOYSA-N 426.542 4.572 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)C=C(c1ccc(C)c(C)c1)C1CC1 2329542128 ARGYOVFPXFZDTR-QHCPKHFHSA-N 426.626 4.535 30 10 IJEE COc1ccc(CC(=O)Oc2ccc(C=CC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 2330620328 JSPBPAWYPQBPKG-UHFFFAOYSA-N 447.443 4.656 30 10 IJEE O=[N+]([O-])c1ccc(CSc2nnc([C@@H]3CCCO3)n2N=Cc2c[nH]c3ccccc23)cc1 2330935709 HJDGUBMHUASRQS-FQEVSTJZSA-N 448.508 4.694 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Nc2cc(F)cc(Br)c2)OC1(C)C 2339437330 ZWVMJALGTGXEFK-UHFFFAOYSA-N 427.510 4.679 30 10 IJEE C=CCN1C(=O)[C@@H](C)Oc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)ccc21 12081285 BBGGUTRPZKUYJO-CHWSQXEVSA-N 435.307 4.699 30 10 IJEE CN(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)C2=O)cc1 41663024 RIEKXKTWMLIJOW-CFRMEGHHSA-N 430.479 4.860 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(F)ccc3F)[C@@H]2c2ccc(F)cc2)c1 170064350 HODGIAFZJUKZNT-OAQYLSRUSA-N 439.389 4.895 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2F)cc1 170071982 KGCVOYFKOFCYSU-JOCHJYFZSA-N 425.500 4.782 30 10 IJEE COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)cc1 170092907 CKCDYGCZYZMGIS-LJQANCHMSA-N 437.835 4.503 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccs2)c1 170154089 IZYNEMWTFIHXMZ-QGZVFWFLSA-N 426.519 4.613 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)c1 170166303 SJDMOVJGTLUZAJ-IBGZPJMESA-N 449.956 4.804 30 10 IJEE CCCCOC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccc(C)cc4)cs3)=C2N)c1 170180120 FGQMTKIENBEPIY-UHFFFAOYSA-N 447.560 4.792 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccncc2)cc1 170201890 YKFWZPGYZWAJSK-JOCHJYFZSA-N 426.428 4.619 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F 170249189 MULIAYVBNHCEIV-QFIPXVFZSA-N 433.435 4.626 30 10 IJEE COc1cccc(OC)c1C(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc(O)c1 170258592 GJLBFASKGKEDNQ-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2C)ccc1Cl 170270400 FMUCJZPZOXXGGJ-NRFANRHFSA-N 443.927 4.660 30 10 IJEE C=CCOc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCC)c1 170324214 IRACQJJXIAROOG-JOCHJYFZSA-N 439.483 4.778 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2cccc(Cl)c2C)ccc1O 170464218 QQCBVPKPLLXDQR-HXUWFJFHSA-N 429.900 4.878 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(OC(C)C)cc1 170472992 XKYIKWCNECQYIL-DEOSSOPVSA-N 437.536 4.993 30 10 IJEE N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)nc1 238977773 ZYJACPMORHJZHJ-MEMLXQNLSA-N 438.487 4.881 30 10 IJEE COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1ccc(C)cc1Cl 254845563 FYPUZHPBWSDBJM-UHFFFAOYSA-N 438.887 4.936 30 10 IJEE Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc12 484148580 SSYBQVRNTGFKKQ-UHFFFAOYSA-N 427.533 4.852 30 10 IJEE CC(C)(C(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1cc(F)cc(C#N)c1 511526140 ZNEKERNAPLTKPU-NRFANRHFSA-N 439.918 4.603 30 10 IJEE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@H]2c2ccc(O)cc2)cc1OC 526605031 SLGPWMXBEIXZPG-DEOSSOPVSA-N 442.471 4.728 30 10 IJEE Cc1ccc(SC2=C(N(C)c3ccccc3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 526685459 UKOWUVAWGDXWRX-UHFFFAOYSA-N 425.513 4.880 30 10 IJEE CCCOc1c(OC)cc(/C=N\n2c(C)nnc2SCc2ccccc2F)cc1OC 526802773 NSJROLIMVMSKKV-CFRMEGHHSA-N 444.532 4.706 30 10 IJEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 555263906 LGUMNENQMQFFLO-HKBQPEDESA-N 448.514 4.914 30 10 IJEE Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cc(Cl)ccc3OCC#N)C2)cc1 735309671 JLIZFQNRMRKMNU-GOSISDBHSA-N 426.948 4.585 30 10 IJEE C=CCn1c(C2CC2)nn(CN2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c1=S 749678889 ZGMRHRRLNYYVCL-RTBURBONSA-N 447.649 4.546 30 10 IJEE C[C@H](NC(=S)/C(=C(/O)c1ccc(C#N)cc1)[n+]1cc(O)cc(Cl)c1)c1cccs1 762440446 MJVILZGREYZCLT-ZDUSSCGKSA-O 442.973 4.828 30 10 IJEE COc1ccc(Cn2nc(C)c(/C=C/C(=O)c3ccc(C(F)(F)F)nc3O)c2C)cc1 767356772 BUSLCCYPCYQTPL-CSKARUKUSA-N 431.414 4.572 30 10 IJEE C=CCc1ccc(OCC(=O)O[C@H](C)c2nnc(-c3ccccc3F)s2)c(OC)c1 781863763 FDBHBWGPTMLZAL-CQSZACIVSA-N 428.485 4.765 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)n1 788819516 HNMKHEXKAPTXJW-PKNBQFBNSA-N 439.968 4.587 30 10 IJEE CCOCCOc1ccc(Br)cc1/C=C/C(=O)c1ccc2nc(O)oc2c1 794715584 NSZXMEKUAJORQT-QPJJXVBHSA-N 432.270 4.607 30 10 IJEE CCSc1nc2ccc(N=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1 1083865881 BRIUDYUVOWZRJU-UHFFFAOYSA-N 428.539 4.904 30 10 IJEE CC(C)N(CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)OC(C)(C)C 1125305656 BOZHQVFGPSFFHH-UHFFFAOYSA-N 437.540 4.916 30 10 IJEE C#CCOc1cccc(OC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 1125908429 DBIODJCBBYETEW-UHFFFAOYSA-N 448.315 4.800 30 10 IJEE C#CCN(C(=O)c1cccc2c1OCC2(C)C)[C@H]1CCOc2ccc(Br)cc21 1126228764 JTENUYKGPGYHOA-IBGZPJMESA-N 440.337 4.718 30 10 IJEE C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 1127561431 AILFIXGESDWPEI-RFAUZJTJSA-N 425.300 4.753 30 10 IJEE Cc1cc(C)c(C#N)c(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)n1 1131018143 DAWAZGAEACRKID-UHFFFAOYSA-N 426.270 4.757 30 10 IJEE COc1ccc(NC(=O)c2ccc(Br)cc2C#N)cc1OCC(F)(F)F 1135847368 GJEBMINPGWZXKJ-UHFFFAOYSA-N 429.192 4.523 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(Br)c(F)c1 1138216172 MJUHIYDVHZWLFN-KRWDZBQOSA-N 443.357 4.796 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2cc(CC3CCCCC3)[nH]n2)nnc1-c1ccco1 1141990282 VTHDDIDBZFBXMX-UHFFFAOYSA-N 440.573 4.691 30 10 IJEE C#CC[C@H]1CCCN(C(=O)[C@@](C)(CC)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1143068541 SNPJGWQVIQKDFE-WTYVLRPYSA-N 444.575 4.956 30 10 IJEE C#CC[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OCC)c1ccccc1 1151315167 YROAOGPHWDXNBT-FCHUYYIVSA-N 436.552 4.922 30 10 IJEE C#C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 1156084145 JNLPTZCFEBEGBC-RPBOFIJWSA-N 430.548 4.564 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccncc1Br 1165888539 DABFMMROWUZZOF-UHFFFAOYSA-N 431.359 4.801 30 10 IJEE C#CCN1CCC[C@H](NCc2c(C)nn(-c3ccccc3)c2Oc2ccc(OCC)cc2)C1 1179579850 WIQPIRZUYCITDD-QFIPXVFZSA-N 444.579 4.559 30 10 IJEE C=CC[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1 1196439991 GDDZNAUZCYSTQX-MRXNPFEDSA-N 431.458 4.794 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)c2ncco2)cc1 1199058751 IURYSDDLJGQISU-JOCHJYFZSA-N 430.508 4.594 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](O)CCc3ccccc3)cc2Cl)c1 1199731336 HCTBVKYVSQSDMY-JOCHJYFZSA-N 449.938 4.906 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)c3ccc(OC)c(Br)c3)cc21 1209767482 JGKXIIRXNMTVDQ-CYBMUJFWSA-N 429.318 4.876 30 10 IJEE COC(=O)[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)c2ccccc21 1214605296 BGHODHLPYLUGKS-SGNDLWITSA-N 425.488 4.865 30 10 IJEE C=CC[C@@H](NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)c1ccncc1 1222021448 IJFPGYFPYIVCEJ-HXUWFJFHSA-N 433.462 4.791 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)c(C(=O)OCC)c1C 1264357631 VCLXHCXQDLNJGB-MSOLQXFVSA-N 441.549 4.783 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H](C)CCSCC 1286534173 BYPSXYJCABKKJW-OAHLLOKOSA-N 439.423 4.830 30 10 IJEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1286623366 XONQKQSHQOWTPS-GJZGRUSLSA-N 438.801 4.815 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 1286672366 LSUIHZYQRKSCLI-UHFFFAOYSA-N 439.648 4.670 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@]2(CCOC2)C1 1286685629 YCKKCSREZFJOMN-NRFANRHFSA-N 431.378 4.681 30 10 IJEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 1286688886 ZXAHLZBTQVYWQL-GMKZXUHWSA-N 437.632 4.628 30 10 IJEE C=CCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1286703502 NULVIWVFHAIEQJ-UHFFFAOYSA-N 427.637 4.642 30 10 IJEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286705183 SVPVELSTEPOMSO-SJLPKXTDSA-N 442.526 4.511 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1286707175 BYLLXQLIGASZIC-OAQYLSRUSA-N 448.970 4.726 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(C)c1)C1CC1 1286734829 XBBPGONWFZYKJK-UHFFFAOYSA-N 426.362 4.558 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1286833605 IVGFOTBUWIQDIX-XXBNENTESA-N 449.624 4.779 30 10 IJEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1)C(=O)OC(C)(C)C 1292338021 LOFAQCBMHNZPOR-NRFANRHFSA-N 426.944 4.610 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 1298803248 LKUOEIZFHNQIOI-NRFANRHFSA-N 436.512 4.934 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc1OC 1299718942 USAFZDJMMLNHDS-PSNUSJGWSA-N 449.938 4.824 30 10 IJEE C#CCSCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C)CC1 1300742982 XZGBBXNOJLYXKQ-AWEZNQCLSA-N 439.448 4.762 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](C)C1 1300895688 UOEFOUFTZJTYNF-BGJURXJTSA-N 430.637 4.660 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@H](CC)NC(=O)OC(C)(C)C 1300907267 FJAYIUFYDIVHPA-SFHVURJKSA-N 443.592 4.659 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1301069266 BJFXWDGFIUBRIE-MRXNPFEDSA-N 431.968 4.668 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1301119661 RGGHAVOINPFJMN-IBVKSMDESA-N 437.632 4.867 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(Br)n2)CC1 1301129368 PMLYWXKOBSZZTP-UHFFFAOYSA-N 444.402 4.539 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1301143698 OJCZYZDACBVUSS-FQEVSTJZSA-N 439.560 4.587 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1NC(=O)CC1(C)C 1301168936 WWNOKTACMBECJW-OAQYLSRUSA-N 446.599 4.591 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@@H](C)C1 1301240670 FNVNWWQAHKUAJL-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)C1CC1 1301316964 MFMFJDBKZOJPBL-HDICACEKSA-N 443.039 4.905 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@H]1C(C)C 1301347073 NZOIFHHNLLFFHU-UPVQGACJSA-N 431.584 4.902 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1cnn(CC(C)C)c1C 1301349936 VGLZRDSXTZYWOB-HSZRJFAPSA-N 448.615 4.574 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CSc2ccccc21 1301415424 ULRHXFAYDXULRM-QGZVFWFLSA-N 441.988 4.522 30 10 IJEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 1301612619 NJYDVGKLBHBJRG-QGZVFWFLSA-N 440.535 4.747 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 1307423712 LJUSAMOXNFVJPT-MRXNPFEDSA-N 425.529 4.973 30 10 IJEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c1 1310905975 GFXSCLCWUIAYIX-INIZCTEOSA-N 443.429 4.894 30 10 IJEE CCOC(=O)c1ccn(-c2cccc(NC(=O)c3sc4ccc(C#N)cc4c3C)c2)n1 1350391914 CVTFONZWVMHWQA-UHFFFAOYSA-N 430.489 4.696 30 10 IJEE C=CCc1ccc(OCC(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c(OC)c1 1355123369 IKVLEUNWDCFDTL-UHFFFAOYSA-N 426.513 4.936 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CC(=O)OCC)c2ccc(F)cc2)s1 1358185028 BVRODFSKOJPSCE-UHFFFAOYSA-N 442.965 4.574 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(OC)CCC(C)CC1 1358875846 XEPYRTLRGZZBDM-JQHMZKTJSA-N 445.405 4.761 30 10 IJEE C#CCCCn1c(N2C[C@@H]3CCCCCC[C@H]32)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358935648 PAVPUJFNNGOPQH-UWHLTILDSA-N 441.620 4.621 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCO[C@@H]1C(C)C 1359004317 RNQYLTXRIMYLRB-LAUBAEHRSA-N 430.980 4.518 30 10 IJEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](c1cccnc1)C(C)C 1359012236 DGJSDCVWFKMDHC-HSZRJFAPSA-N 426.568 4.575 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CC1(OC)CCC(C)CC1 1359016016 MKULBVNHIOQIEV-UHFFFAOYSA-N 447.558 4.714 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359052489 GWYZWUFWMSKCFT-QFIPXVFZSA-N 428.005 4.687 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(OC)c(OC)c2OC)CC1 1359178846 DCDRLXASCZNNLH-UHFFFAOYSA-N 442.604 4.538 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccccc1Cl 1359239704 VACVAYXVNMJNEY-GOSISDBHSA-N 445.995 4.717 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2)n1CC1(C)CCOCC1)C1CC1 1359247850 RGARXJJQHOWKIL-UHFFFAOYSA-N 431.378 4.679 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN1CCC 1359254766 CBWGVYNTAVDIRN-QHCPKHFHSA-N 434.632 4.904 30 10 IJEE C=CC1(CC(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CCCCC1 1360580438 FPGSXBOUVRRHLH-UHFFFAOYSA-N 442.419 4.644 30 10 IJEE C[C@H](NC(=O)c1ccc(Br)cc1C#N)c1ccc(Br)cc1F 1436559249 DQSQJMHNNRROTQ-VIFPVBQESA-N 426.083 4.713 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C 1443809717 DUTUNDBRQINMPC-MRXNPFEDSA-N 430.467 4.549 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 1445470695 AFZLHVZRYOZUKJ-LJQANCHMSA-N 440.506 4.956 30 10 IJEE C#CCOc1cccc(Cl)c1CN1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1462247687 NHIUEUIJBOXBHQ-OALUTQOASA-N 432.992 4.821 30 10 IJEE COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 1462742837 ARONULUMSCULMA-HXUWFJFHSA-N 438.471 4.892 30 10 IJEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)cc1 1464415471 GKJXFMWXAOEZKS-UHFFFAOYSA-N 442.924 4.849 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O 1470270344 QNVDIIPMUBDGCE-XXBNENTESA-N 439.531 4.597 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1507529806 RFRGYXXWIJCKIB-LPHOPBHVSA-N 445.995 4.606 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCO[C@H]1c1ccc(C)cc1 1507543787 XTPDDJSYQGJFHB-KWOQKUFVSA-N 434.609 4.865 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCC(F)(F)C1 1507545852 MPCQKMCWOWWWIT-QZTJIDSGSA-N 432.515 4.539 30 10 IJEE C#CCSCCn1c(-c2cccnc2)nnc1N(Cc1ccccc1)Cc1ccco1 1507749954 DFMQATPKAGUPLZ-UHFFFAOYSA-N 429.549 4.506 30 10 IJEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCC[C@@H](SC)C1 1507780234 NEXFBHUAKYVQDZ-CQSZACIVSA-N 442.814 4.624 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C)[C@@H]1C 1507793484 AOKSCEWEJKNNPV-YTXYEVPYSA-N 445.405 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CCCCC1 1507798800 UHNJNDNFGYMIMH-UNMCSNQZSA-N 439.560 4.851 30 10 IJEE C=C(C)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@@]1(OC(C)C)CCOC1 1507836403 JTJNBGPOSUAPQP-HCLVMJGWSA-N 448.995 4.736 30 10 IJEE C=CC1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC(=O)N(C)CC)CC1 1507897356 IDSRDTDLVGNTQX-UHFFFAOYSA-N 444.004 4.694 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1507902733 GMUNUUCARDADDX-FQEVSTJZSA-N 425.577 4.543 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1507935112 LAVAKDNZSLWLLO-QFIPXVFZSA-N 426.609 4.606 30 10 IJEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)N(Cc2ccccc2)CC1 1507939596 RLQXPFBDSOFLJJ-HSZRJFAPSA-N 444.627 4.721 30 10 IJEE C=CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC2CCCCC2)CC1 1508049858 KBRSAJNGWHTZAQ-UHFFFAOYSA-N 444.421 4.596 30 10 IJEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(CC)Cc1ccccc1 1508074935 ULTCYCWNSKKLMA-UHFFFAOYSA-N 449.624 4.604 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)CC)C1 1508114292 KHRLSIZDBXADKV-GOSISDBHSA-N 433.394 4.925 30 10 IJEE COCCC(C)(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC#N 1518938245 CZPZLAXZUYIOAX-CYBMUJFWSA-N 440.411 4.570 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nscc1Br 1527807449 UNBFCIGJFXWCHY-UHFFFAOYSA-N 434.128 4.636 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1)c1ccccc1 1529738273 UTZCWHQPELUTNA-MOPGFXCFSA-N 443.341 4.506 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1 1539198128 REVYXPZDBWZPKL-UHFFFAOYSA-N 430.504 4.608 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1CC(C)(C)CC=C 1539306278 FQBRBJYRQJGFEN-UHFFFAOYSA-N 443.364 4.912 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[C@H](C)C1 1539319929 LMSSQEOCGCXRNS-ZWKOTPCHSA-N 425.374 4.607 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@](C)(O)CCC(C)C)CC1 1539835986 KSZWIJIXHPHRSK-HSZRJFAPSA-N 432.996 4.951 30 10 IJEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](SC)C(C)(C)C)CC1 1539891381 AJMUEGYFHZXTLD-HXUWFJFHSA-N 438.645 4.697 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1539891940 OHJMFJBKLHLGMY-QFIPXVFZSA-N 439.604 4.775 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1539952959 BZRGYKONMUCLIC-UHFFFAOYSA-N 439.604 4.822 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCCN2C[C@H]1C 1539960208 ZMBAUIGQMOGVRA-QZTJIDSGSA-N 444.421 4.737 30 10 IJEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCCC1 1539966552 LELHGELUDSTABU-HXUWFJFHSA-N 447.624 4.569 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(NC(C)=O)cc1 1540054811 WGIAAAVTTQDDAX-MRXNPFEDSA-N 435.597 4.760 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1540119842 LGEMUOUHYKLUNA-UQBPGWFLSA-N 435.955 4.833 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1nc2cc(Cl)ccc2s1 1540168900 XIBDGCZHZHOFDU-OAHLLOKOSA-N 429.977 4.662 30 10 IJEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nc(C(C)(C)C)cs1 1540173699 AERUHMMSESEGJE-UHFFFAOYSA-N 448.596 4.709 30 10 IJEE CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1540470719 BILQWHQKFGFFOH-NRFANRHFSA-N 449.551 4.976 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC[C@@H]2C)C1 1540896457 MEPSFQRFQFDDSQ-XUVXKRRUSA-N 442.629 4.797 30 10 IJEE CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCC(F)(F)C1 1541452168 FAPKGWGVNCNBJJ-IBGZPJMESA-N 443.542 4.831 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(CCCc2ccccc2)n1Cc1csc(-c2ccco2)n1 1541806054 CUBKOMHXWVQUQD-SFHVURJKSA-N 446.580 4.957 30 10 IJEE C=CCCC[C@@H](C(=O)N(C)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1 1544024006 AMXMVOMYGWIELH-HSZRJFAPSA-N 428.598 4.818 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCCCC1 1547831836 HRFXMQSYAWYJDI-UHFFFAOYSA-N 425.577 4.560 30 10 IJEE C=C[C@H](C)ONC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1557344110 WUJDDTYTNOSGQN-ZDUSSCGKSA-N 449.363 4.956 30 10 IJEE C#CCN(C(=O)/C=C/c1ccsc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1558371082 WYRHEYNCEUEEOX-VOTSOKGWSA-N 442.503 4.641 30 10 IJEE C=CCn1c(SCc2cc(OC)ncc2Br)nnc1-c1ccc(C)cc1 1559391344 YMIHGEPJGIKFFR-UHFFFAOYSA-N 431.359 4.898 30 10 IJEE C#Cc1ccc(NC(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(Cl)c1 1563327682 VMYINHAVVURWMW-IBGZPJMESA-N 439.943 4.805 30 10 IJEE C#CC[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)c1ccccc1 1564385850 SZVJHQDWGNPVLK-FCHUYYIVSA-N 439.600 4.818 30 10 IJEE C=CCCC[C@@H](NC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1 1565078154 YNPQPBZBMJGULG-XZOQPEGZSA-N 427.976 4.942 30 10 IJEE C=CCC[C@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1)c1ccccc1 1566621695 ZKYKVZBBGPCMQE-FQEVSTJZSA-N 435.549 4.776 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC1CCCC1 1566867361 NWFWPYZHYUPVBU-DEOSSOPVSA-N 434.536 4.850 30 10 IJEE CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1586666931 GWBMQCJHPSUOSP-QFIPXVFZSA-N 434.536 4.864 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1CCCC1CCOCC1 1588283962 ITHYDJSFIABBMP-UHFFFAOYSA-N 445.405 4.682 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCCC2)n1CCN(C)C1CCCCC1 1588550840 ZHCRYTZZVJULFK-UHFFFAOYSA-N 437.607 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCC(F)(F)C1 1589243032 SPQHNPUKVXKWEC-AUSIDOKSSA-N 428.527 4.901 30 10 IJEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCCc2sccc2C1 1589434290 BVLNWGCMLZWEGV-UHFFFAOYSA-N 435.416 4.853 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(CCOC)Cc1ccccc1 1589544549 IMKFDULMYQQBQP-GGAORHGYSA-N 426.605 4.501 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(F)(F)CC1 1589567229 CADXVEXMGSQQMC-KNQAVFIVSA-N 446.542 4.691 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1594529511 VBERFYNZGYEPDI-OAQYLSRUSA-N 441.595 4.663 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1594545194 RIZZJEYWCBHYBK-CVDCTZTESA-N 436.922 4.795 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1594698656 VLMFSFOBJZHZPZ-UHFFFAOYSA-N 441.963 4.922 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCN1CCCC 1594885699 MLFILGUXIPECHA-FQEVSTJZSA-N 446.437 4.984 30 10 IJEE C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1595350615 KCXYNVYYHAOMHK-FCHUYYIVSA-N 436.556 4.943 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1595883934 DKTHDJIAPHUDJY-YLJYHZDGSA-N 432.609 4.891 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Nc2ccccc2Cl)CC1 1611088691 LVRGMWNFIATWTD-FQEVSTJZSA-N 435.996 4.993 30 10 IJEE N#Cc1cnc2c(Cl)cccc2c1NCc1csc(CNC(=O)c2ccccc2)n1 1612080806 AVRXPRUPIRKUBJ-UHFFFAOYSA-N 433.924 4.758 30 10 IJEE CCS[C@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC2(OC)CCC2)C1 1617472678 FYFRGJABRNHJDK-SFTDATJTSA-N 439.629 4.886 30 10 IJEE C#CCN(C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O)[C@H]1CCCc2ccccc21 1617566189 HBVWXRHLZAMCIH-QFIPXVFZSA-N 434.536 4.564 30 10 IJEE COC1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1 1619479173 BNOWLFBICXCZTE-YMISUZCDSA-N 437.588 4.560 30 10 IJEE N#Cc1cccc(CNC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)c1 1622835041 BLYBRXLIJZKQBX-UHFFFAOYSA-N 432.427 4.826 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccnc1O 1626097650 MNGZSZQNDFNJDY-HSZRJFAPSA-N 443.503 4.599 30 10 IJEE C#CCN(C(=O)Nc1cc(C)ccc1C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1626292060 VCAOMXJKYWKRJY-UHFFFAOYSA-N 439.478 4.880 30 10 IJEE C=CC1(CC(=O)NCC2(c3cccc(F)c3F)CCCC2)CN(C(=O)OC(C)(C)C)C1 1633975941 MOZOHLVOXCDXHO-UHFFFAOYSA-N 434.527 4.706 30 10 IJEE C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ncccc1F 1635468004 HAOSZEMMATZDOM-SNVBAGLBSA-N 446.326 4.935 30 10 IJEE C=CCC[C@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)c1ccccc1 1635772508 PZTKVJHRPSZHED-NRFANRHFSA-N 443.385 4.652 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)cc1 1642500432 LPNYAMVWTHUBSR-FQEVSTJZSA-N 428.532 4.935 30 10 IJEE C=CCn1cc2ccc(NC(=O)c3ccc4n3CCN(C(=O)OC(C)(C)C)[C@H]4C)cc2n1 1646456239 BKEOSRMQQNJENV-INIZCTEOSA-N 435.528 4.588 30 10 IJEE C=CCn1c(SCc2cnsn2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1651599700 YGUMBIJWQULGSU-UHFFFAOYSA-N 430.555 4.902 30 10 IJEE C=CCC[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccc(C(F)(F)F)cc1 1654702158 CMWOTWUURRRDGA-GOSISDBHSA-N 437.439 4.798 30 10 IJEE C=CCC1(O)CCN(C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)CC1 1657897207 HKZQFRANKVDWEO-UHFFFAOYSA-N 445.357 4.963 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 1658625796 GATSHRWFMHFEPK-LJQANCHMSA-N 436.512 4.872 30 10 IJEE Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1661691175 BWNQPCGTZZZTLI-HNNXBMFYSA-N 436.377 4.858 30 10 IJEE C#C[C@@H](NC(=O)Nc1cc(F)cc(N2C[C@H](C)O[C@H](C)C2)c1)c1ccc(Cl)cc1F 1663151914 CNKGFNAWVWMARF-HKZYLEAXSA-N 433.886 4.728 30 10 IJEE CC(C)(C)CCN(CCc1ccccc1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1668271049 BCYMECWXPUAWNT-UHFFFAOYSA-N 433.600 4.613 30 10 IJEE C#C[C@H](NC(=O)NCc1ccccc1CN(C)Cc1ccco1)c1ccc(Cl)cc1F 1669262436 VQRJBNWUCBCRIR-QHCPKHFHSA-N 439.918 4.878 30 10 IJEE O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CCN(c2ccccc2F)CC1 1670413586 DMBNQYIKBJINIT-QGZVFWFLSA-N 449.370 4.980 30 10 IJEE CC(C)(C)[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(F)cc1F 1670543396 HVCNEDBJKRAUJB-QFIPXVFZSA-N 426.511 4.846 30 10 IJEE C=CCC[C@H](NC(=O)Nc1cccc2c1N(C)C(=O)CO2)c1ccc(C(F)(F)F)cc1 1672702760 ODQNTNDQNRUGTO-INIZCTEOSA-N 433.430 4.890 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)[C@@H]1CCCO1 1673342650 NXOCQUOPMVAFST-OALUTQOASA-N 433.277 4.683 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N[C@H](C)Cc3ccc(F)c(Br)c3)cc21 1675095534 HRPWQAHFCVKVSK-CYBMUJFWSA-N 431.309 4.877 30 10 IJEE C#CC[C@H](COC)NC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 1675302612 VJRIGXYYMACENQ-APWZRJJASA-N 444.362 4.944 30 10 IJEE COCCN(C(=O)Nc1nc(Cl)c(C#N)s1)[C@H](C)c1cccc(C(F)(F)F)c1 1678315449 IAKRVFNSAASNNU-SNVBAGLBSA-N 432.855 4.928 30 10 IJEE C#CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)[C@H]1CCCc2ccccc21 1678516081 OQENCWFGLPUNPX-BJKOFHAPSA-N 432.955 4.848 30 10 IJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1c(Br)cncc1Br 1681325706 ITYKEPZCHSUGEZ-XHDPSFHLSA-N 431.172 4.541 30 10 IJEE C#CC[C@H]1CCCN(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)C1 1681417949 BXADLHXSYOUHTH-QHCPKHFHSA-N 447.579 4.738 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1685195251 ZZXJORQNOFLVSY-GOSISDBHSA-N 429.552 4.657 30 10 IJEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 1687487692 FSXRIAAVCWQYJR-OGAOHHHESA-N 437.534 4.573 30 10 IJEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 1689902309 ZIAQSSXVXHQIDY-UHFFFAOYSA-N 445.592 4.978 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](OC)[C@@H](C)CC 1690038618 XBCGPKICJNPVRY-JXFKEZNVSA-N 433.383 4.776 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](CC)OC 1690194798 AOGNAAKPACEPQI-ATIYNZHBSA-N 431.584 4.770 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C)n1C[C@H]1N(C)CCCC1(C)C 1690212957 WUXCSPZQSSYHJN-YIXXDRMTSA-N 449.643 4.586 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CC 1690253731 SMAGFCGOTGWCGY-JLMWRMLUSA-N 430.980 4.871 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N(C)Cc1cccs1 1690253743 SNPJNEODSGVMCV-HTAPYJJXSA-N 442.560 4.675 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC=C(C)C 1690263089 ZPVCXUDOOGYWRV-UHFFFAOYSA-N 434.588 4.995 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1690419091 HITVZGHMNLAPTK-FPOVZHCZSA-N 444.583 4.910 30 10 IJEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1690508097 AXBWNHXQAWQMAU-SFHVURJKSA-N 432.996 4.771 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CC[C@@](C)(CC)O1 1690520181 MLHDCFLMJIIUDW-MGPUTAFESA-N 437.357 4.817 30 10 IJEE C=CCN(c1nnc(-c2cccnc2)n1C[C@@H](F)c1ccc(Br)cc1)C1CC1 1690542519 RRQHNRSPXYHITP-LJQANCHMSA-N 442.336 4.968 30 10 IJEE C=CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCCSC)C1CC1 1690545124 KGNXUYXRPJURIO-UHFFFAOYSA-N 449.665 4.691 30 10 IJEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1nc(C(C)(C)C)cs1 1690599467 ZXNVJYKCBRFQQO-UHFFFAOYSA-N 425.577 4.989 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1690655483 XAAJUPMSPDDJEU-HSALFYBXSA-N 430.980 4.614 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2csc(C)c2)C1 1690689716 KFTYONPURHKOII-KRWDZBQOSA-N 432.952 4.937 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@@H](C)c2ccc(OC)cc2)C1 1690696464 CGJHEGWPBQZLGC-XXBNENTESA-N 447.583 4.632 30 10 IJEE CC[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C(C)(C)C)s2)C1 1694433748 DUBPIVBODCXFBJ-HSZRJFAPSA-N 435.601 4.640 30 10 IJEE CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(CC)(CC)OC)CC1 1695467320 AHPOKBIVZIUSJA-JOCHJYFZSA-N 439.604 4.807 30 10 IJEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1cccs1 1698344638 GXHITDYOBPGORG-HOTGVXAUSA-N 427.599 4.739 30 10 IJEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1705540353 WLWICJIBXLUVPI-FCJDFRRUSA-N 436.600 4.577 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(F)(F)F)CC1)c1ccccc1 1705796346 CUWSUSBTQNQLGS-SFHVURJKSA-N 444.505 4.817 30 10 IJEE C=CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CCc1nccs1)c1ccccc1 1705797319 UEXPDHRRLFYOIT-NRFANRHFSA-N 430.581 4.835 30 10 IJEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1705810055 MEFFGOBYOXRTTP-WOJBJXKFSA-N 434.943 4.856 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(C(=O)NCC)cc1 1705836791 GBIMQEUBALGGTE-QGZVFWFLSA-N 449.624 4.552 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccnc(C(F)(F)F)c1 1705838669 XPEIOVYGIJYEOQ-UHFFFAOYSA-N 437.853 4.691 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1)C(C)C 1705867440 NOVWBYXJXVMXAJ-XUZZJYLKSA-N 432.616 4.752 30 10 IJEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1705944826 UBOOTWLJLFMBDV-NRFANRHFSA-N 449.580 4.817 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1CC1([S@](C)=O)CCC1 1706462256 CFUOVHBTIPLRMG-PMERELPUSA-N 448.036 4.666 30 10 IJEE C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCS1 1706737423 FHFGFFMWTXZLAR-GAJHUEQPSA-N 437.569 4.805 30 10 IJEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1722330547 VIYDQOCBILPVAH-WOJBJXKFSA-N 446.599 4.664 30 10 IJEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1sccc1C 1722422635 RMLHOPWCWSPJGA-UHFFFAOYSA-N 445.592 4.500 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCS[C@@H](CC)C1 1722503477 LHUWHUNOOYSHEQ-GPXNEJASSA-N 440.657 4.766 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1CC2(CCOCC2)C1 1722503562 BADWONFRWOXXNM-UHFFFAOYSA-N 448.409 4.645 30 10 IJEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1722531765 UBOAZZPLKLOBCU-QFIPXVFZSA-N 436.556 4.927 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@H]1C 1722589729 NNAYZXRAXRDLER-LJQANCHMSA-N 426.605 4.982 30 10 IJEE C=CC[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 1722596719 MUXGXPQHRJMRBX-MZEQIWSPSA-N 438.616 4.611 30 10 IJEE C=CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCSC(F)(F)F 1722632374 QZXFEGKZGLMVEE-UHFFFAOYSA-N 439.276 4.722 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)c1ccccc1F 1722741962 CFIRLGCCFRSUIL-OAHLLOKOSA-N 431.606 4.890 30 10 IJEE CC(C)N(CCn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C)C(C)C 1723541489 GQFJUEZVARVODY-UHFFFAOYSA-N 434.632 4.860 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@]1(O)CCCC1(C)C 1740540383 JJKZNWKJRDTCFS-AFMDSPMNSA-N 448.567 4.516 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@](C)(O)CCC(C)C 1740540801 ZJIBIGHBQAIACW-NXMSCROESA-N 428.646 4.777 30 10 IJEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](OC(C)C)c1ccccc1OC 1740555442 IUCODRMQOSVTPC-PGRDOPGGSA-N 438.597 4.563 30 10 IJEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 1740574766 LCWWFUKQDDLGSO-AHWVRZQESA-N 443.595 4.672 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1740652288 WXMYXQKRHAHSDG-UPVQGACJSA-N 443.620 4.553 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCSC1 1740729579 JQEGMKINLSRUCE-HRAATJIYSA-N 445.430 4.843 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCc1nc(C(F)(F)F)cs1 1740733586 NALWKHCEHMPJSX-HXUWFJFHSA-N 437.535 4.721 30 10 IJEE C=C(C)Cn1c(Cc2ccncc2)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 1740784116 KFRBPCAJWUYOQI-LJQANCHMSA-N 444.352 4.750 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C(F)(F)F)cs2)CC1 1740837363 KLCGLVHKTPYOOW-UHFFFAOYSA-N 434.491 4.575 30 10 IJEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1CC 1740897863 XOQCIAVBTMRSOX-RBUKOAKNSA-N 434.588 4.684 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CCCC2)n1CC1(SC)CCN(C)CC1 1740919019 SSCKPOODDSOBQS-UHFFFAOYSA-N 439.673 4.956 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C 1740927635 WDBFXIXKUDZZOD-FYYLOGMGSA-N 436.648 4.911 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC(=O)Nc1ccccc1CC 1740944567 QWUMOASWTDFSGZ-QGZVFWFLSA-N 449.624 4.955 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCN(C(C)(C)C)CC1 1740948881 ONGCEGZOVFCLEW-UHFFFAOYSA-N 438.403 4.661 30 10 IJEE C=CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@](C)(OC)C1 1740997114 VDALPEHJGOKTRL-HYBUGGRVSA-N 444.645 4.959 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCC(C(F)(F)F)CC1 1748658827 YHCMHCSFKGIFPO-UQPPLGOBSA-N 434.462 4.500 30 10 IJEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 1748707652 ITXQHEDZMWAQRP-OAQYLSRUSA-N 439.922 4.514 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCOC(C)(C)C 1748834317 IYPPXZKIWHUBMI-UHFFFAOYSA-N 436.556 4.701 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749032872 SNGVAOBDGFLAHR-AZUAARDMSA-N 435.597 4.981 30 10 IJEE COCC(C)(C)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C#N)CC1 1749264550 GDZNJHSAKMFOPQ-UHFFFAOYSA-N 447.530 4.739 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(NC(=O)CC(C)C)c2)CC1 1749297593 HLZVUARQIAQXAT-QFIPXVFZSA-N 437.588 4.709 30 10 IJEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1749398219 AGPZRIDADMAFOI-OAHLLOKOSA-N 443.498 4.838 30 10 IJEE C=CCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1749449377 MBVDBYOJRXGSSK-SANMLTNESA-N 449.599 4.727 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC(=O)NC1CCCCC1 1749467425 PAYRHXGTNDTNRU-UHFFFAOYSA-N 444.004 4.884 30 10 IJEE C=CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1C[C@H]1CCOC[C@@H]1C 1749499296 TWOWHAUGORBYCN-RBUKOAKNSA-N 432.996 4.546 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1Cc1csc(CC)n1 1749544436 HQPYXLPYINGERL-UHFFFAOYSA-N 448.571 4.663 30 10 IJEE C=CCSCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749763931 NLXQYBNMMLSDCK-UYAOXDASSA-N 432.659 4.659 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(C)(C)O 1751090417 CWQDAMWQADCLLC-OAHLLOKOSA-N 427.549 4.712 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1CCC(F)(F)CC1 1760164572 VTVYUXHYLMFNLT-KRWDZBQOSA-N 432.515 4.712 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](CC(C)C)N(C)C 1760290005 UPNVTCKCTBRHOH-ZYLNGJIFSA-N 441.595 4.526 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(c2ncc(C)s2)CC1 1760322198 PGLZLURLSBBIRH-TZIWHRDSSA-N 429.634 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCC[C@@H]1CC 1760339467 JLMBWEFWYXTIKY-QHCPKHFHSA-N 434.632 4.948 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1760407452 DRFZFBYHFNQPGA-TZIWHRDSSA-N 444.583 4.910 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CC(C)C)C1 1760415033 MKNSECDGCZLXON-SFHVURJKSA-N 429.634 4.744 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CCCC2)n1Cc1nnc(C(C)(C)C)s1 1767063399 DQMUPGIEMREADR-UHFFFAOYSA-N 449.628 4.716 30 10 IJEE CCOc1cc(/C=C2\SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)ccc1O 1772758509 XLRMRLOXSHCZMZ-KGXKECERSA-N 447.516 4.891 30 10 IJEE Cc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Nc2ccccc2C#N)cc1Cl 1858843185 XFRCTFVVILSCBQ-HNNXBMFYSA-N 449.898 4.965 30 10 IJEE C=CCNC(=O)[C@](C)(CC)NC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 1861439278 RTZLYRJSGUXMEM-SANMLTNESA-N 432.568 4.728 30 10 IJEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1ccc(OCCCCCC)cc1 1862135846 PEAOZXWVHCKMAM-QFIPXVFZSA-N 432.630 4.698 30 10 IJEE CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(=O)O)cc1 1862414868 KHDLZZDXUIRKFK-FQEVSTJZSA-N 443.446 4.822 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1862434945 KPQPPMWQPSNXHC-OAQYLSRUSA-N 441.911 4.880 30 10 IJEE Cc1ccccc1[C@@H]1C(C(=O)c2cccc(Cl)c2)=C(O)C(=O)N1CCCn1ccnc1 1862442051 FUIIPOVAFPWCIZ-OAQYLSRUSA-N 435.911 4.514 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862487744 IGKJPLNENYCRKZ-ORAYPTAESA-N 428.872 4.933 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862582988 QLXHHGISXFOWCG-KRWDZBQOSA-N 434.275 4.678 30 10 IJEE CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2[C@@H](C)CC)c1 1862645006 YEQGTWOFVXSNSF-OYHNWAKOSA-N 441.499 5.000 30 10 IJEE CC(C)N1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cc(Cl)cc(Cl)c1 1862743391 AYZRUZSCCWUEDY-QGZVFWFLSA-N 435.263 4.888 30 10 IJEE Cc1cc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(Cc3ccccc3F)C2=O)ccc1F 1863461255 ZQDDSBZJLWNXNM-UHFFFAOYSA-N 429.426 4.537 30 10 IJEE CCCCCCCCCCNC1=C(c2ccccc2F)C(=O)N(CCc2cnc[nH]2)C1=O 1863646948 MYJHKXOAMPSKHI-UHFFFAOYSA-N 440.563 4.602 30 10 IJEE Cc1ccc([C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 1866956104 UHKUZNLDZYQKKR-IZZNHLLZSA-N 439.559 4.973 30 10 IJEE COCCc1nc(Nc2cccc(C#N)c2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868246721 POJOZZODUYRPNV-OAQYLSRUSA-N 449.942 4.512 30 10 IJEE COCCc1nc(Nc2ccc(C#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868266887 DDZAJMTVJNRPMG-NRFANRHFSA-N 449.942 4.512 30 10 IJEE C#CCOc1cn(Cc2ccccc2C)c(CSCCc2nc3ccccc3[nH]2)cc1=O 1870300693 PZKNAZLVBCGVSH-UHFFFAOYSA-N 443.572 4.569 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2cccc(C)c2)cn1CCCN(CC)CC 1870621939 JGEKPXALHPFCED-UHFFFAOYSA-N 437.628 4.642 30 10 IJEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C)cc2)cn1Cc1ccc(OC)cc1 1870770139 XYKNOBFBNTYEOH-UHFFFAOYSA-N 444.575 4.967 30 10 IJEE C=CCOc1cn(Cc2ccccc2)c(CNc2ccc(OCC)c(OCC)c2)cc1=O 1870810474 DUFRHRGRVXJHNF-UHFFFAOYSA-N 434.536 4.871 30 10 IJEE CCN(CC)CCN1COc2c(cc3c(c2C)O/C(=C\c2c(F)cccc2Cl)C3=O)C1 1871356149 XIZWZRODLPYGBY-MTJSOVHGSA-N 444.934 4.897 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4OC)ccc3C2=O)c1 1871386310 ONCRCZJZKZBMNT-FMCGGJTJSA-N 432.428 4.548 30 10 IJEE C=CCN([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1871823796 DGGUTEHEZNFPCW-IBGZPJMESA-N 444.597 4.639 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1872498665 BMSITABRRFFIKP-OAQYLSRUSA-N 434.989 4.941 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(NCCCCC)ncnc21 1873622894 OUNRATKGNIGZPG-UHFFFAOYSA-N 436.516 4.942 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874215787 FHSWJPBXGJZDON-HYARGMPZSA-N 445.932 4.846 30 10 IJEE CCSc1nnc(CCCOc2ccc(OC)cc2)n1/N=C/c1cccc(Cl)c1 1874221627 UTJMMMDQFSPMEL-HZHRSRAPSA-N 430.961 4.946 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1/N=C/c1ccncc1 1874287011 JBKZPFIWXNDYAK-CVKSISIWSA-N 445.548 4.744 30 10 IJEE COc1ccccc1OCc1nnc(SCc2ccccc2C)n1/N=C/c1cccnc1 1874289154 QHLDUNGGLQVPNJ-CVKSISIWSA-N 445.548 4.744 30 10 IJEE COc1ccccc1CCc1nnc(SCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874314054 AFNRCLUACKJBAX-YZSQISJMSA-N 444.560 4.952 30 10 IJEE COc1ccc(/C=N/n2c(CC3CCCCC3)nnc2SCC(=O)OCC(C)C)cc1 1874408853 SKZUVXCWRDTMKW-ZVHZXABRSA-N 444.601 4.583 30 10 IJEE Cc1cccc(CSc2nnc(Cc3cccs3)n2/N=C/c2ccc(O)c(O)c2)c1 1874410274 LNHVHYACVWAMGG-YDZHTSKRSA-N 436.562 4.825 30 10 IJEE Cc1ccsc1/C=N/n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 1874465917 IBGWVOQQVRNFKI-RGVLZGJSSA-N 425.495 4.991 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1ccc(F)cc1 1874478177 SAZHXXSXPNSFGF-AFUMVMLFSA-N 439.560 4.990 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(C)n2/N=C/c2ccc(Cl)c(Cl)c2)cc1 1874530450 JZJSVPWGMSAKLA-LSHDLFTRSA-N 434.352 4.815 30 10 IJEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c(Br)c1OCCO 1874599650 XRMSCCYRTOSSIW-SOFGYWHQSA-N 433.342 4.959 30 10 IJEE COc1ccccc1C(=O)/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1 1874611748 TUGHTPVDWALVRE-UKTHLTGXSA-N 446.459 4.825 30 10 IJEE COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc1OC(=O)[C@H]1CCCO1 1874718691 LXSINLJLURCINV-XJCKULRNSA-N 432.472 4.838 30 10 IJEE CCCC(=O)Oc1c(OCC)cc(/C=C/C(=O)c2ccc(OC)c(C)c2)cc1[N+](=O)[O-] 1875109660 YPTGRZKJMLLDIB-CSKARUKUSA-N 427.453 4.912 30 10 IJEE CCCCCCCCNc1ncnc2c1cc(C(=O)N1C[C@@H](C)O[C@H](C)C1)n2CCC 1875205373 QHXXXKSOHXBQMB-RTBURBONSA-N 429.609 4.863 30 10 IJEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)n[nH]2)c1C 1891326741 HONYVXHZUASVIN-UHFFFAOYSA-N 425.536 4.986 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](O)c1cc(OC)ccc1Br 1922125213 LPJOJVVNWDSQQA-YADHBBJMSA-N 434.374 4.632 30 10 IJEE C[C@H](CC#N)Nc1cc(Br)c(I)c(Br)c1 1931649998 MFJZLIAUEPPZBU-ZCFIWIBFSA-N 443.908 4.530 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1c(Br)cccc1Br 1937827351 UYGVBQFNZLFCRW-AWEZNQCLSA-N 447.167 4.793 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(Br)cccc2C#N)C(F)(F)CC1 1965667614 IZZNMQNTWSQISC-CQSZACIVSA-N 430.293 4.767 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 1991567806 GQVIONPZAPLZQO-HXUWFJFHSA-N 429.508 4.728 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(C#N)N(CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1999931753 PRGYBKYHXDLBIZ-IERDGZPVSA-N 436.557 4.853 30 10 IJEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C2(CCC2)C1 2019916520 FGTUAIDIYYXYQK-HUUCEWRRSA-N 447.498 4.715 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@@]1(C#N)CN(C(=O)OC(C)(C)C)CC[C@H]1C 2045250889 XEAOUZBEEUWIHQ-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](O)c1ccc(NC(=O)OC(C)(C)C)nc1 2050056517 GMFSUORNEVXYJJ-DHIUTWEWSA-N 441.572 4.603 30 10 IJEE C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@H](C)N1C(=O)OCc1ccccc1 2054426273 BKFUHPLKVVJMSE-GJZGRUSLSA-N 446.320 4.696 30 10 IJEE CC(C)[C@@]1(C(=O)Nc2ccc(Br)cc2C#N)CCN(C(=O)OC(C)(C)C)C1 2181133363 RKVQENWZLPPWIL-HXUWFJFHSA-N 436.350 4.542 30 10 IJEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2181145476 HHUADFOJXWAGIJ-YWZLYKJASA-N 436.350 4.733 30 10 IJEE C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(Br)ccc2C#N)N(C(=O)OC(C)(C)C)C1 2181147975 PECGCPHVZSPQDA-PBFPGSCMSA-N 436.350 4.541 30 10 IJEE C[C@@H](C(=O)Nc1ccc(C#N)c(Br)c1)C1CCN(C(=O)OC(C)(C)C)CC1 2187944972 MWUIJYZOPPJZDQ-CYBMUJFWSA-N 436.350 4.542 30 10 IJEE CC(C)[C@]1(C)CSC(=Nc2ccc(Br)cc2I)N1 2223670270 VKCYFIRYODKQEM-ZDUSSCGKSA-N 439.160 4.792 30 10 IJEE Cc1cc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)ccc1NC(=O)OC(C)(C)C 2224078742 GEEPXUYHHDCPPF-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)C12CC(NC(=O)OC(C)(C)C)(C1)C2 2235724342 HZXFCAAXMLCGFX-OSFYOIPJSA-N 433.390 4.616 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC=CCC1 2235732665 ZSNBRGHFGPHCDT-SXLOBPIMSA-N 433.390 4.638 30 10 IJEE C=C(COCc1ccccc1)[C@@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)OCCC(=O)O 2252003045 ICKUIOABLJUHSZ-HXUWFJFHSA-N 435.561 4.655 30 10 IJEE C=C(COCc1ccccc1)[C@@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)OCCC(=O)O 2261827065 FPFWUIKIABNRIA-PXDATVDWSA-N 447.572 4.799 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1cc(Br)cc(OC(F)(F)F)c1 2272995746 HZPPSAFOZVMARQ-UONOGXRCSA-N 440.256 4.851 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN3C[C@H](C)C[C@@H](C)C3)C1=O)cn2C 2296607578 VKYHRZAQGUHHKK-IAGOWNOFSA-N 446.547 4.987 30 10 IJEE C=CCC(CC=C)OC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2298830384 OLFUMJJUKNEXGB-RUZDIDTESA-N 429.557 4.894 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2305318890 HXDGERGABWNEQT-DNRQZRRGSA-N 428.573 4.555 30 10 IJEE C=CCCN(Cc1ccccc1)C1(C(=O)O)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 2306520572 AUMPRFGTPCSANR-UHFFFAOYSA-N 442.478 4.508 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2c2nccs2)c1 2314474306 DIXBXSZACKQURB-NRFANRHFSA-N 432.501 4.724 30 10 IJEE C=CCN1C(=O)C(=Cc2ccc(OCCCC)c(OC)c2)SC1=Nc1nnc(C)s1 2314547697 JZRQUFMBZQLUKY-UHFFFAOYSA-N 444.582 4.824 30 10 IJEE COc1ccc(C=NN=C2SC(=Cc3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1 2314819270 WURNRXJBTRCRAY-UHFFFAOYSA-N 435.480 4.934 30 10 IJEE COc1ccc(OC)c(C=C2Oc3c(cc4c(c3C)OCN(Cc3ccccc3)C4)C2=O)c1 2322312274 ICIJLVBRVSLJQS-UHFFFAOYSA-N 443.499 4.981 30 10 IJEE COc1cccc(C(=O)C=Cc2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)c1 2322378814 MBJFEQYFRZMQGV-UHFFFAOYSA-N 431.488 4.926 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OCC(=O)Nc3ccc(F)cc3)c2)cc1 2323094473 WDSBGMRHCULNAD-UHFFFAOYSA-N 435.451 4.757 30 10 IJEE COc1cccc(C=Nn2c(S)nnc2Cc2ccccc2)c1OCc1cccc(C)c1 2323511914 GIEUXXBGUULBGX-UHFFFAOYSA-N 444.560 4.936 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1OC 2323601660 JLEPRTYFWGKBOR-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE COc1ccccc1C(=O)C=Cc1ccc(OCC(=O)NCc2ccco2)c(Cl)c1 2323701462 PMHYMFHSWUXHHI-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE O=C1C(=Cc2cccs2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2F)CC1 2324128298 CWGVCQXQHIXOIN-UHFFFAOYSA-N 436.508 4.531 30 10 IJEE O=C(O)c1ccccc1C=Nn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 2325471716 CRFVODOPCLCYGT-UHFFFAOYSA-N 446.507 4.881 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1N=Cc1ccccc1OC 2326058135 SYLRIVSUQICPHB-UHFFFAOYSA-N 430.961 4.946 30 10 IJEE CCCOc1c(OC)cc(C=Nn2cnnc2SCc2cc(C)cc(C)c2)cc1OC 2326392937 BBKLZPPDTILKHU-UHFFFAOYSA-N 440.569 4.875 30 10 IJEE C=CCOc1ccccc1C=Nn1c(COc2ccccc2OCC)nnc1SCC 2326823673 MAVKGMBNZHEPNE-UHFFFAOYSA-N 438.553 4.815 30 10 IJEE COc1ccccc1OCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccn1 2328243752 LIJXSUADYINVOK-UHFFFAOYSA-N 449.511 4.574 30 10 IJEE COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N=Cc2ccc(F)cc2)o1 2330576877 XMBXOKGGDNLMPM-UHFFFAOYSA-N 442.497 4.700 30 10 IJEE O=C(COc1cc(F)ccc1F)Oc1ccc(C=CC(=O)c2ccccc2)cc1[N+](=O)[O-] 2331174072 NTCJSDIIJKZLQL-UHFFFAOYSA-N 439.370 4.754 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(OC)c2)c1 2331684724 MIXKHDBNDPKOAD-UHFFFAOYSA-N 438.398 4.856 30 10 IJEE Cc1ccc(C=CC(=O)Nc2c(C#N)nnn2-c2ccc(Cl)c(C(F)(F)F)c2)cc1 2332188968 SRPZBJVKWIAEES-UHFFFAOYSA-N 431.805 4.772 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)C1 2339590629 PTTDQZDTFNZJDD-IBGZPJMESA-N 443.397 4.785 30 10 IJEE N#Cc1ccc(Nc2cc(F)c(F)cc2I)c(Br)c1 2351718804 RMSROMFRWKWMRR-UHFFFAOYSA-N 435.009 4.947 30 10 IJEE CCCCCCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2 9597324 FPVNKKNMUQXYSN-NRFANRHFSA-N 442.585 4.990 30 10 IJEE C=CCN(CC=C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C 21285572 SWAPHHNFVFHBIZ-UHFFFAOYSA-N 439.968 4.640 30 10 IJEE C/C(=N\Nc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N)c1ccc(F)cc1 21323293 NKOHPYJCWFKAAK-LSHDLFTRSA-N 425.320 4.566 30 10 IJEE CCOC(=O)c1c(NC(=O)CCSC)sc2c1CC[C@](C#N)(c1ccccc1)C2 23309912 UIOMPKOKLVZMKY-QFIPXVFZSA-N 428.579 4.567 30 10 IJEE COc1cc(/C=C/C(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 34955572 IUKIATBRFXNWRE-ZRDIBKRKSA-N 448.471 4.836 30 10 IJEE C=C(Br)Cn1c(CCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 40208740 FWIRCVZQTGXENY-UHFFFAOYSA-N 446.776 4.890 30 10 IJEE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C1CCN(CCC#N)CC1 62039323 KJFKGPFEQUGTKP-UHFFFAOYSA-N 439.581 4.718 30 10 IJEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CCOc3cccc4ccccc34)C2=O)cc1 96546662 AETJKGXYGVMEKC-SANMLTNESA-N 430.504 4.641 30 10 IJEE O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C/Nc1cccc(-c2nc3ccccc3o2)c1 135995278 PCTDXIYGCWSVGT-QBFSEMIESA-N 438.237 4.813 30 10 IJEE Cc1ccc(C)c(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(O)cc2)c1 169960748 CDRPGAKCWMFKKA-HXUWFJFHSA-N 434.517 4.865 30 10 IJEE COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(O)c2)c1 170079055 CRQXXPOTJGDCMB-HSZRJFAPSA-N 441.439 4.930 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)CCc3ccccc3)[C@H]2c2cccc(O)c2)cc1 170080453 AWHNGSAYRVZDGE-XMMPIXPASA-N 429.472 4.503 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(C3CCCCC3)[C@H]2c2ccc(O)cc2)c1 170135669 CGYXXRRHVHEXIQ-NRFANRHFSA-N 441.911 4.965 30 10 IJEE N#Cc1ccc(N2C(=O)C(Nc3cccc(Br)c3)=C(c3ccccc3)C2=O)cc1 170163214 SKSJXLISNCPZJP-UHFFFAOYSA-N 444.288 4.717 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2cccs2)cc1C 170167064 ZLCJOORMIHUWSJ-OAQYLSRUSA-N 437.492 4.983 30 10 IJEE O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccncc1)c1ccc2c(c1)CCCO2 170204222 WXZNQUSVHKMPPF-QFIPXVFZSA-N 446.890 4.843 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1C(C)C 170229853 IGOZKQAVPQEECW-YADARESESA-N 449.547 4.884 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2c(OC)cccc2OC)[C@@H]1c1ccc(Cl)cc1 170236202 FQCAQOHGAWIEMF-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(C)o2)c1 170300956 UBVZLLYJVXXIFU-JOCHJYFZSA-N 433.460 4.865 30 10 IJEE COc1ccc(/C=C\C(=O)N=C2N=C3C=CC(Cl)=CN3Cc3ccccc32)cc1OC 254837154 SPTVYGXYUUPJLJ-AJMKMOBXSA-N 433.895 4.555 30 10 IJEE C=CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cc1OCC 263632491 JEIZWNHOFIUQGD-ZINKLTMQSA-N 438.549 4.901 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1 436342858 IRCQXWQURBEDHX-ROUUACIJSA-N 447.000 4.982 30 10 IJEE N#Cc1ccc(CC(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1 469755135 YDOLYMDDWBCFOW-SFHVURJKSA-N 442.359 4.738 30 10 IJEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)O[C@@H](C)C2 503868177 CDXHTTKRBRBFRB-OWSXEPHWSA-N 428.532 4.700 30 10 IJEE C=CCNC(=O)c1ccc(NC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)nc1 524230984 XECDXKDRRASZED-LAUBAEHRSA-N 432.490 4.511 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(F)cc2)cc1OC 526607325 UUXBOMIBWNGRCD-HSZRJFAPSA-N 430.435 4.772 30 10 IJEE C=C(C)Cn1c(SCc2nc(-c3cccc(-n4ccnc4)c3)no2)nnc1-c1ccco1 545696116 XOWHDOVUQYRHOH-UHFFFAOYSA-N 445.508 4.642 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 549640234 ZZIRRNPSYKRPRX-UHFFFAOYSA-N 431.515 4.504 30 10 IJEE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CC[C@H](O)C(C)(C)O)C[C@@H](O)C[C@@H]1O 575629592 WFZKUWGUJVKMHC-PSTOYEOOSA-N 432.645 4.676 30 10 IJEE CC(C)Oc1ccc(S(=O)(=O)N(C(=O)c2cccc(C#N)c2)c2ccccc2F)cc1 586302264 IVZSEOFDXBBAGZ-UHFFFAOYSA-N 438.480 4.520 30 10 IJEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 603803502 HDWBWFAPMONFGF-UHFFFAOYSA-N 446.526 4.763 30 10 IJEE Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1ccc(C#N)cc1F 609232078 WHBCSCWUMAFYHP-UHFFFAOYSA-N 429.451 4.964 30 10 IJEE C#CCN(C[C@H](NCCC)c1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 689351345 PYWRNMJQBHSGTD-INIZCTEOSA-N 431.321 4.638 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C=O)(Cc1ccc(Br)c(F)c1)C2 721961097 JXUULBQGTGLRHX-GJZGRUSLSA-N 426.326 4.878 30 10 IJEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(C[C@H](C)c2ccc(C)cc2)C1=O 737413872 CLPFYBQTZHCNPA-KXBFYZLASA-N 429.973 4.520 30 10 IJEE C/C(=C\C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)c1ccccc1C(F)(F)F 741920681 TULVJJCUQZMFMA-NRJHKNTJSA-N 445.466 4.521 30 10 IJEE COc1ccc(CNC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)cc1C#N 778937506 WTCQXOFYCZSDAV-VWLOTQADSA-N 444.531 4.522 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)n1 788575626 BDIJAGDPDSZKNS-UHFFFAOYSA-N 438.915 4.643 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CCCN1C(=O)OC(C)(C)C 790647534 BWSSVRHBOARZGA-LGGPFLRQSA-N 440.993 4.503 30 10 IJEE C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1C#N 790701839 OJTUYEUNJHVXBK-IFMALSPDSA-N 444.560 4.629 30 10 IJEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccccc1C#N 792748510 QBPVKNSISKENCA-DENIHFKCSA-N 444.560 4.547 30 10 IJEE CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccccc3O)n2)cc1 1084119769 BLQMXGWNDDLXBI-AWEZNQCLSA-N 438.557 4.591 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2csc(-c3cc(Br)ccc3OC)n2)c1 1125844808 WHVQOBMNLFAZAB-UHFFFAOYSA-N 427.323 4.839 30 10 IJEE N#Cc1ccc(-n2nccc2NC(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 1126152293 ARABZPIMYIWZFM-UHFFFAOYSA-N 435.203 4.778 30 10 IJEE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 1127499793 DTLQUEPDYLGLEE-ZDUSSCGKSA-N 433.733 4.933 30 10 IJEE CC1CCN(Cc2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2)CC1 1136279430 BNLYCLIELXSHSG-UHFFFAOYSA-N 442.357 4.570 30 10 IJEE COc1ccc([C@H](NC(=O)c2nc(O)c(C#N)cc2C)c2ccc(C(F)(F)F)cc2)cc1 1137813074 JNAOWRZOTXFNJG-HXUWFJFHSA-N 441.409 4.514 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(-c2ccc(OC)cc2)no1 1146697416 LIGXKKASDPOGNJ-UHFFFAOYSA-N 432.398 4.864 30 10 IJEE C[C@@]1(C#N)CCCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 1152085266 FEHBIFMXVYAJHD-CTNGQTDRSA-N 431.305 4.861 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CO)c1cccc(Cl)c1Cl 1196284707 DDUHNBBQGQTTSE-GUYCJALGSA-N 438.380 4.649 30 10 IJEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C1 1197352767 XDVKAHCHUAKOSG-SFHVURJKSA-N 444.398 4.819 30 10 IJEE C#C[C@H](NC(=O)Nc1ccc(-c2ccc(Br)cc2)c(C)c1)C1CCOCC1 1203796331 IAGADFPZFZBXDM-NRFANRHFSA-N 427.342 4.974 30 10 IJEE CCc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)o1 1209890703 DWYXCPCUGKFXKL-GOSISDBHSA-N 437.359 4.782 30 10 IJEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1Br)C(C)C 1220597381 BUGLZCPCKVQGFE-NHCUHLMSSA-N 434.422 4.994 30 10 IJEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1)C(C)(C)C 1222359765 XUJBETMTQCVSKO-RBBKRZOGSA-N 441.666 4.917 30 10 IJEE C#C[C@H](NC(=O)NCc1cc(F)ccc1Br)c1ccc(Br)cc1 1223953028 OZDXJJVIPBCPJA-INIZCTEOSA-N 440.110 4.524 30 10 IJEE C=CCCCCCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1228041467 XNUJWHVKPDTHHB-RTWAWAEBSA-N 437.625 4.617 30 10 IJEE CCN(Cc1ccccc1Br)C(=O)NC1CCN(c2ccccc2C#N)CC1 1234047362 FYKUQRIXCUPXQM-UHFFFAOYSA-N 441.373 4.521 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1252972235 YUAOVIAJRLSTMC-GUXCAODWSA-N 433.515 4.753 30 10 IJEE C=CCC(CC=C)C(=O)Nc1ccccc1C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 1264894402 IYENSXRMHFDCHV-UHFFFAOYSA-N 442.556 4.950 30 10 IJEE C=CC[C@@]1(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CCCN1C(=O)OC(C)(C)C 1273439291 ZZNVYZMVKUWWID-SANMLTNESA-N 441.616 4.503 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 1275389184 GMYFCMHSCWFPCM-HZPDHXFCSA-N 445.357 4.880 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCC(C)CC1 1286305682 OGACPIAFCDZYLD-IBGZPJMESA-N 446.064 4.804 30 10 IJEE C#CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(Cl)cc1OC 1286361006 XYISEZYCJTXMHM-KRWDZBQOSA-N 432.862 4.541 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(F)(F)F 1286560494 FKROQBDHHIQFMA-JXFKEZNVSA-N 447.505 4.807 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1286596087 TXGYMYLJGDCKON-VWLOTQADSA-N 435.660 4.978 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1286604747 PAAIWBMIFLRZRZ-QFBILLFUSA-N 433.394 4.925 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCC2CCOCC2)CC1 1286656254 RXHMIKHVQSDXEB-UHFFFAOYSA-N 440.588 4.572 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(CSC)cc2)CC1 1286662197 AHIURJABZZIHGP-UHFFFAOYSA-N 439.654 4.948 30 10 IJEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1)c1ccccc1 1286679085 JYNJWWJVIMUTDV-XZOQPEGZSA-N 431.584 4.889 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286695619 DJGSBVFNFXCVCV-UXHICEINSA-N 441.620 4.626 30 10 IJEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccccc1Cl)C1CC1 1286733837 KBJWFWGYNZWPAF-UHFFFAOYSA-N 432.753 4.892 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1OC 1294551907 BCEGDRASHHGRIP-YAJOZDLLSA-N 446.591 4.786 30 10 IJEE C#C[C@@H](NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1297711523 AYCDNHUNANKFFG-WPVUHESFSA-N 434.939 4.838 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCCN1CCCC 1300292019 HWJMEUDUZQSSOH-RBBKRZOGSA-N 430.600 4.606 30 10 IJEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1300412977 LCJHEBDFGBEXIC-UHFFFAOYSA-N 443.382 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)Cc1ccc(Br)o1 1300884710 LXKSKMKINNBYJO-QAPCUYQASA-N 435.366 4.519 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)c1nccs1 1300936849 OLBXATNJNRDEGQ-CQSZACIVSA-N 432.391 4.980 30 10 IJEE C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300963005 JGVOGCZQJJFQCY-IBGZPJMESA-N 428.577 4.616 30 10 IJEE C=C(Cl)Cn1c(N[C@H](C)[C@H](OC)c2ccccc2Cl)nnc1[C@@H]1CCCOC1 1301061312 SCQDXNWZCQMTKI-RKVPGOIHSA-N 425.360 4.766 30 10 IJEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OC2CCCC2)CC1 1301245984 NXJMIIQYYNLDPS-UHFFFAOYSA-N 445.995 4.514 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCSCC(F)(F)F 1301273983 ZNHXUIBSULTZLQ-CYBMUJFWSA-N 434.915 4.989 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1CCC(F)(F)C1 1301281443 NJBADWWZOBQORR-CYBMUJFWSA-N 441.320 4.774 30 10 IJEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H]2C(C)C)CCC1 1301488279 CNXRUUVYEKPWRJ-QFIPXVFZSA-N 437.588 4.560 30 10 IJEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1301615228 IBNMHULBRYJLBZ-AUSIDOKSSA-N 449.624 4.779 30 10 IJEE N#Cc1ccc(Br)c(Cn2c(-c3cccc(Oc4ccccc4)c3)noc2=O)c1 1307300160 GUCQKCKRISSMRD-UHFFFAOYSA-N 448.276 4.978 30 10 IJEE C=CCC[C@@H](CO)NC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 1312248386 XACFPLLLUZURNR-KGLIPLIRSA-N 438.391 4.568 30 10 IJEE C#C[C@H](NC(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1)c1ccc(Cl)cc1F 1312259632 KQVYYNVMEKQZFP-FQEVSTJZSA-N 443.906 4.584 30 10 IJEE C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)Cc2cccc(OCC#N)c2)[C@@H]1C 1351610032 FDBSSNWGIGECGO-DNVFCKCGSA-N 434.536 4.714 30 10 IJEE C#Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 1351887630 MMHQBQCLGXDTAV-UHFFFAOYSA-N 434.908 4.893 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OCC(F)(F)F)cn1 1352317844 KPKVNUOLLNCTTL-UHFFFAOYSA-N 447.226 4.753 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CC1C[C@H](C)O[C@@H](C)C1 1358877023 VVUSJOYZZIAZQI-KKUMJFAQSA-N 449.368 4.508 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1ccccc1COC 1358878167 RZPXBVBMPGOHJE-SFHVURJKSA-N 434.609 4.928 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358883603 YLGHVPRNVLALIG-SJORKVTESA-N 445.995 4.559 30 10 IJEE C#CCCCn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(Br)o1 1358933779 FHIGHWPNWBTDTF-UHFFFAOYSA-N 443.345 4.571 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCCCCCO 1359074269 XCUGGFZYQIAABZ-AREMUKBSSA-N 438.616 4.699 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1359080835 GASNQCHXSYJVLC-CQSZACIVSA-N 447.406 4.773 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CC1 1359093236 LHTCGTRGGQSLIS-IEBWSBKVSA-N 431.378 4.535 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(F)F)C1 1359103614 QKMGNCZFDVHLRE-XPNTWCBSSA-N 444.570 4.916 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(N(C)c3ccccc3)CC2)nnc1C(C)(C)C 1359105030 IZDYUOPZTOPKBB-REWPJTCUSA-N 437.632 4.662 30 10 IJEE C=C1CCN(c2nnc(-c3ccccc3OC)n2CCc2nc(C(F)(F)F)cs2)CC1 1359163274 XKIZQDYOCNMYPB-UHFFFAOYSA-N 449.502 4.828 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2CCOC2)CC1 1359197991 FIVQLTHCGIRNIA-KRWDZBQOSA-N 448.409 4.645 30 10 IJEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)(C)C)CC1 1359205560 BMDUHAMVMRUVSG-UHFFFAOYSA-N 425.621 4.832 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCCO2)n1Cc1nc(C)c(C)s1 1359260855 PWCMTJHUSVDJCF-HXUWFJFHSA-N 441.576 4.973 30 10 IJEE C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCC([C@H]2CCCO2)CC1 1359288870 FYAYSGGMYHFOJY-JOCHJYFZSA-N 445.007 4.833 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(OCC)CCCC2)C1 1359316397 NWDLPLZGQVTIGW-HXUWFJFHSA-N 430.980 4.729 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN(C(C)C)C2)C1 1359317014 AJJFGLZBGXKSRS-PMACEKPBSA-N 444.023 4.500 30 10 IJEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC=CO2)C1 1360783082 CEDMITWQHUNOTO-AUUYWEPGSA-N 448.390 4.592 30 10 IJEE COC(=O)c1sc(-c2cccc(Br)c2)cc1NC(=O)c1cc(C#N)oc1C 1434889885 FIOBLRNMTRDIIL-UHFFFAOYSA-N 445.294 4.990 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 1436136309 SDXIWWRXYAUHSZ-RUZDIDTESA-N 426.516 4.847 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](F)C1 1452910587 JCDHXSSTUNQZDR-KOSHJBKYSA-N 436.527 4.820 30 10 IJEE C=C(C)COc1cccc(NC(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c1 1465535188 AKCTWJKHDCTZLY-HXUWFJFHSA-N 439.531 4.731 30 10 IJEE C#C[C@@H](NC(=O)Nc1ccnn1Cc1ccc(Cl)s1)c1ccc(Br)cc1 1467407161 HQECLMXMQQWJRA-OAHLLOKOSA-N 449.761 4.905 30 10 IJEE C=C[C@@H](C)ONC(=O)C(C)(C)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 1469733379 QWCNZXLORGCHGK-QGZVFWFLSA-N 436.552 4.952 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 1470270339 QNVDIIPMUBDGCE-WMZHIEFXSA-N 439.531 4.597 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1F 1470666316 LUXSOQOFSZLLIM-HGBASVHRSA-N 439.962 4.753 30 10 IJEE C=CCCC[C@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)C(=O)OC 1471895399 PAYVWZMSRFUDGQ-NBGIEHNGSA-N 436.577 4.811 30 10 IJEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 1474979382 BHXOFINMZMFEME-UHFFFAOYSA-N 443.862 4.757 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 1475974162 SBLYOTKEJVHYBQ-DHIUTWEWSA-N 441.597 4.683 30 10 IJEE C=C(C)COc1cccc(NC(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)c1 1476103922 JAECITACSPDZSJ-LMQGHGSNSA-N 429.561 4.940 30 10 IJEE C=C(C)[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccc(F)c(F)c1 1478470348 CTYUSFVEXJXLQC-UGKGYDQZSA-N 442.510 4.968 30 10 IJEE N#Cc1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cc1Cl 1478520592 FYEBDGLYBAJUDQ-INIZCTEOSA-N 437.758 4.987 30 10 IJEE C#CCC1(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCCCC1 1478791980 OIKCADLJXRLAKF-LOSJGSFVSA-N 433.571 4.819 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCn2cc(C)nc21 1507524057 UMHSULWKSQHEJZ-FPOVZHCZSA-N 430.600 4.783 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1cc(C)on1 1507664566 SYVCSFVSPNYASS-UHFFFAOYSA-N 445.523 4.620 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](OCC)C1CCCC1 1507770446 OGWIFBAUSMRDJT-ZEQKJWHPSA-N 438.591 4.986 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N(C)CCc1cccs1 1507807383 VORNXCWWDOULNZ-AUSIDOKSSA-N 440.588 4.730 30 10 IJEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC)(CC)C1 1507838923 LDQUHPJDFAKPNV-UHFFFAOYSA-N 434.588 4.944 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1507878213 JXWXLTAAEDKGPL-IBGZPJMESA-N 427.911 4.677 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC1(SC)CCC1 1508008257 LAJPRPFMIXRJOF-UHFFFAOYSA-N 437.588 4.881 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1ncccc1C 1508011890 PFTZIFHTZBHLKE-UHFFFAOYSA-N 438.373 4.946 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2cscc2C)C1 1508127748 MVEHPDBGXIQZAA-OAQYLSRUSA-N 438.597 4.619 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2cccs2)C1 1508131362 ZQXWEDMNRALKLR-IBGZPJMESA-N 444.988 4.596 30 10 IJEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N(C)Cc1ncc(Cl)n1C 1508158667 NDRQJHSXAZAJTN-UHFFFAOYSA-N 437.400 4.541 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCC1(F)F 1517123841 DVUUAZOMMVFATK-FQEVSTJZSA-N 436.510 4.597 30 10 IJEE C=CC[C@]1(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)CCCN1C(=O)OC(C)(C)C 1521754439 JPUZHSYQXGUVHQ-CJFMBICVSA-N 438.572 4.962 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccc([Si](C)(C)C)cc2)s1 1524781689 LACYXBIRXRFZJM-UHFFFAOYSA-N 425.095 4.700 30 10 IJEE C#C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1525054955 VGPNNXAPERPENS-SFHVURJKSA-N 429.314 4.900 30 10 IJEE CCCn1c(=O)n(CCC(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)c2ccccc21 1527162898 BYEBQAHOOJATLY-HZPDHXFCSA-N 436.581 4.861 30 10 IJEE C#C[C@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1 1528497902 QBVBSBNJXZFCNL-IBGZPJMESA-N 443.341 4.829 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCCC[C@H]2c2noc(CC)n2)s1 1530690617 IFCSTVJPRZTIEN-ZDUSSCGKSA-N 426.995 4.538 30 10 IJEE N#Cc1ccc(N2CC[C@H](C(=O)O[C@H](Cc3ccc(Cl)cc3)C(F)(F)F)C2)c(F)c1 1530956995 HJJPVRSMIDVERM-HNAYVOBHSA-N 440.824 4.894 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C1CCOCC1 1533500952 MWSIBKOGTJWDBZ-HXUWFJFHSA-N 446.334 4.796 30 10 IJEE COC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)n(-c2ccccc2)n1 1534583415 FGQJVFVYDSXXLY-KBPBESRZSA-N 434.521 4.530 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCCOC(C)C 1538974261 SACDAJNKUSDDCA-RBUKOAKNSA-N 432.996 4.961 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)C[C@@H]1CCCOC1 1539051793 HRTBXFLQZXWPJJ-IBGZPJMESA-N 426.630 4.942 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H](CC(C)C)N(C)C 1539541525 IPOJOLNIQGGYMI-ZEQKJWHPSA-N 433.644 4.717 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2ccc(Cl)nc2C1 1539684961 OSWXQKIJWVVPAI-OAHLLOKOSA-N 427.911 4.744 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1OC(F)(F)F 1539903713 CSGPHMLAGACQPM-INIZCTEOSA-N 430.467 4.793 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1539923568 DBDVOBLGKIUSCI-NRFANRHFSA-N 435.572 4.947 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1539923846 IJLVOYVBKVOSFT-GOEBONIOSA-N 428.524 4.689 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H](C)C1CCC1)c1ccccc1 1539932201 YBEJTYSPBHEUMR-REWPJTCUSA-N 435.616 4.889 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1539954808 FFAIBTBCBFXXRU-LJQANCHMSA-N 433.478 4.721 30 10 IJEE C#CCN(CC(=O)N[C@H](c1ccc(CCC)cc1)c1cccs1)C(=O)OC(C)(C)C 1540585065 WSGIKELAYCBRQU-JOCHJYFZSA-N 426.582 4.777 30 10 IJEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CCS1 1541394685 AFMHDMZAMUAIPN-QFIPXVFZSA-N 439.629 4.601 30 10 IJEE CC(=O)c1ccc(Br)cc1OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C 1559387405 VNLWGOJZPSTXHY-MTJSOVHGSA-N 428.326 4.911 30 10 IJEE C#CCN(Cc1cncc(Br)c1)[C@H]1CCOc2ccc(Br)cc21 1559544946 LOFKLRAOYWWIHE-KRWDZBQOSA-N 436.147 4.566 30 10 IJEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCc2c(F)cc(Br)cc2C1 1562262856 CXKPUBWGNWUOOZ-UHFFFAOYSA-N 432.293 4.837 30 10 IJEE C=CCN(Cc1cccs1)C(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 1562328884 BKMGFZMCHOPPQA-UHFFFAOYSA-N 431.558 4.872 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CC(O)(c2cccc(Cl)c2)C1 1570552368 DIYHJLPWMHYADG-HXJYWVFZSA-N 436.861 4.897 30 10 IJEE N#C[C@@H]1CCC[C@H](OC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 1584702545 DHTZRXLUHYLAFK-KUHUBIRLSA-N 427.298 4.941 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1)[C@H]1CCCO1 1585510930 AJIHPYAAWXOVFA-QFBILLFUSA-N 446.359 4.818 30 10 IJEE COc1cccc([C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)N2CCCC2)c1 1586838918 DZOAFPYBSICKED-XMMPIXPASA-N 441.531 4.926 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1OC 1587153334 YGIQVKNPJFDLKL-XZBOQHEZSA-N 446.591 4.692 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccnc(Oc2ccccc2F)c1 1587657259 QDMHOHXFUWIEAL-QGZVFWFLSA-N 447.539 4.763 30 10 IJEE C=CC[C@]1(C(=O)NC[C@H](COC)c2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1587764416 DCLHVRNCGWPBDV-WZONZLPQSA-N 436.980 4.532 30 10 IJEE CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1588097984 GVBAEZBKWCRGPC-SFHVURJKSA-N 444.362 4.903 30 10 IJEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(CC)[C@@H](C)C1CCC1 1588993189 FUQDVSQMNJALII-SFHVURJKSA-N 434.613 4.717 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](C)N(C)C 1589150915 NUYFJTKFUNTJMD-XLNZFTOWSA-N 444.023 4.631 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2ccccn2)CC1 1593600020 AFFOUTHCZZMZGK-UHFFFAOYSA-N 429.355 4.550 30 10 IJEE C=C(Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(C)(C)C)C1)c1ccccc1 1593796352 QGZGJQJQKOWKEB-NRFANRHFSA-N 437.613 4.599 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](COCC)C1 1594692741 DZNVHGSBWHAGFV-MRXNPFEDSA-N 449.393 4.545 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCCOc1ccc(C)cc1 1595014369 YFMHPKDLQGPCKJ-FGZHOGPDSA-N 426.605 4.987 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccnc(C(F)(F)F)c1 1595191789 YOXDZMZPYBYSBW-UHFFFAOYSA-N 434.853 4.634 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC1(C)C 1595234274 NBVWWWWLDQYVHL-QFIPXVFZSA-N 435.616 4.576 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](O)c1ccccc1C(F)(F)F 1611099029 MSXAFSLMHDKVRO-KRWDZBQOSA-N 446.238 4.855 30 10 IJEE CCC(CC)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1613463564 BOZNCAINPXJNBP-TZBSWOFLSA-N 440.611 4.628 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC[C@H](C)C2)cc1OC 1616351109 FBAJPAFEVZJFRP-OSWQYVSFSA-N 437.588 4.919 30 10 IJEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Oc2ccccc2C)c1 1616717543 SIHUNGIZEHQCOE-UHFFFAOYSA-N 433.529 4.514 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3OC)n[nH]2)c1C 1616918610 PUJUDPRSEXSBKI-VWLOTQADSA-N 441.535 4.604 30 10 IJEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1619100998 BZTQFMKINCWUGM-ZFUCPZCZSA-N 443.979 4.551 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CC1 1624542423 HWEDLXQJUQBDEX-UHFFFAOYSA-N 431.443 4.599 30 10 IJEE C#Cc1cccc(NC(=O)CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c1 1625179104 KBSLZZDMLRYIRW-UHFFFAOYSA-N 439.540 4.864 30 10 IJEE CC[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)NCc1cccs1 1627482679 AKWXXZBPBHYZGA-OAQYLSRUSA-N 449.601 4.737 30 10 IJEE C=CC[C@@H](NC(=O)N[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2)c1ccncc1 1631878640 RHIJNMUBRRZLNT-RTWAWAEBSA-N 442.604 4.958 30 10 IJEE N#Cc1ccccc1COc1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1 1637332299 AFXXDGLHNIXPBM-AREMUKBSSA-N 426.516 4.551 30 10 IJEE C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 1637561692 MUAOJDPWGYHWBC-PIBDYAPNSA-N 436.637 4.927 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 1639358785 WAAYDHXOGZDZKQ-LSDHHAIUSA-N 427.463 4.710 30 10 IJEE C=CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 1640621998 PQSMHHLPCYWGQX-UHFFFAOYSA-N 428.579 4.629 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3cccc(F)c3)C2)n(Cc2ccc(F)cc2)c1C 1642912080 BJCZDLWXWHRLPZ-OAQYLSRUSA-N 448.517 4.731 30 10 IJEE N#Cc1cccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)c1 1643419929 BLETYXWBRHEWQI-UHFFFAOYSA-N 433.439 4.511 30 10 IJEE CCCN(CC(=O)N(CCC#N)c1cccc(C)c1C)C1CCN(Cc2ccccc2)CC1 1648597680 BSHHRIDXFIOVOS-UHFFFAOYSA-N 446.639 4.927 30 10 IJEE Cc1ccc(CN(Cc2ccco2)C[C@@H](O)c2ccc(C#N)cc2)c(Br)c1 1654268426 GMFPTAVJHYJIKX-JOCHJYFZSA-N 425.326 4.958 30 10 IJEE C#CCOc1ccc(F)cc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 1655734883 ZGGFCORELGVCKW-UHFFFAOYSA-N 436.439 4.946 30 10 IJEE C=CCN1CCC(NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)CC1 1656342229 AJMQOHZXAUDIMT-UHFFFAOYSA-N 432.465 4.899 30 10 IJEE C=CCN(CC(=O)Nc1nc(CC)c(C)s1)Cc1cc(Br)ccc1F 1657161461 AKJPXXCTWFHBAA-UHFFFAOYSA-N 426.355 4.542 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 1659605011 YQIWNGWYFDZKRL-UHFFFAOYSA-N 435.543 4.890 30 10 IJEE CCCCN([C@@H](C)c1ccc(C)o1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1659802923 HPNSCQGWKOQLHN-ZDUSSCGKSA-N 443.338 4.913 30 10 IJEE CC(C)(CNS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccc2ccccc2c1 1665376877 DUNLZFVWHARRGT-UHFFFAOYSA-N 443.366 4.730 30 10 IJEE C=CCN1CCC(NC(=O)NCC2(c3cccc(Br)c3)CCCCC2)CC1 1668510694 PIYZKZXCHLALDP-UHFFFAOYSA-N 434.422 4.601 30 10 IJEE COc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)ccc1OCCO 1669147603 FOQZBKACNZLSSS-KRWDZBQOSA-N 447.491 4.613 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cnc(C(F)(F)F)nc1 1671158468 ONQNAZRGWOIIAB-UHFFFAOYSA-N 433.203 4.617 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C1 1672504963 ARCQGJRHSUPTBS-FQEVSTJZSA-N 426.561 4.644 30 10 IJEE CC(C)(C)N1C[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1=O 1673678272 GAYOXKMUURWVOO-MRXNPFEDSA-N 440.931 4.772 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1)[C@H]1CCCO1 1678956369 CLWRCGLVMLVHDP-PCCBWWKXSA-N 435.326 4.896 30 10 IJEE C#CC[C@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 1679190890 NPTTUAYYXLZXFH-IBGZPJMESA-N 435.877 4.955 30 10 IJEE CC(C)[C@@H](CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccc(Cl)cc1 1682157654 FPBNSZRKMQWSJZ-OAQYLSRUSA-N 428.939 4.622 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1c(C(F)(F)F)[nH]c2ccccc12 1683327532 LCKRHMHZOCMWGL-UHFFFAOYSA-N 426.442 4.999 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCC[C@H]1CCCCO1 1689839252 FCCAYHYKILAJSO-NHCUHLMSSA-N 448.567 4.924 30 10 IJEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CC[C@H](C)N1CCCCC1 1689973735 NWPNZAVNVIZBJN-QFIPXVFZSA-N 437.632 4.623 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1sccc1Br 1690078877 KXZOPJABQHCBTF-UHFFFAOYSA-N 449.805 4.854 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCSC(CC)(CC)C1 1690227575 BZTMJFOVUBSTMZ-HNNXBMFYSA-N 429.428 4.540 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(CCOC)Cc1ccccc1 1690231580 HMEYHZWOERKMFH-UHFFFAOYSA-N 433.394 4.572 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1690368681 HUFJBWRHVAGJLH-IEBWSBKVSA-N 445.405 4.845 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](c2cccs2)N(C)C)CC1 1690415133 YPVVDEIFABHXLA-QFIPXVFZSA-N 435.641 4.830 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=C)Br)CC1 1690415632 SDNQCRVOKCZNKP-UHFFFAOYSA-N 431.378 4.785 30 10 IJEE C=CC[C@@H](Cn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1690445072 RAUJVVDYCUBGCV-NRFANRHFSA-N 437.588 4.573 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1690465522 DMXHJCKPLDLWBZ-XMMPIXPASA-N 440.595 4.951 30 10 IJEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 1690680512 UBTQODMERQKSHY-GOSISDBHSA-N 444.988 4.746 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2sccc2C)C1 1690706959 MLEIHOBEDMZAIF-QGZVFWFLSA-N 444.551 4.541 30 10 IJEE CCN1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCC#N)CC1CC1 1695852522 DEBUHOWXXDQBJX-JOCHJYFZSA-N 441.023 4.527 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](C)N1CCC(C)CC1 1705547893 UKSPBFYLHOLRJO-QFIPXVFZSA-N 437.632 4.560 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)[C@@H](C)C1 1705683653 OFZIOBPBXSTVBR-RYUDHWBXSA-N 440.183 4.708 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1705685102 NIAOEHIDIQNAMN-NRFANRHFSA-N 428.378 4.884 30 10 IJEE C=CC1CCN(c2nnc(CC(C)C)n2C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 1705783178 VZLVLVALVHWWRH-XMMPIXPASA-N 437.632 4.725 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1Cc1ccc(C)nc1 1705837328 XQFGIEXUIJKHQH-UHFFFAOYSA-N 432.753 4.735 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCc1nc(C(C)(C)C)cs1 1705844716 PUGYZFIZSARZJO-UHFFFAOYSA-N 431.556 4.766 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCS1 1705881988 IESWRXXFZZUTHP-HNNXBMFYSA-N 427.401 4.786 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1705882075 KGXGCECCEHFFET-WDSOQIARSA-N 445.405 4.783 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](c1cccs1)N(C)C 1722344721 AZNFVVHUMOIQEM-WMZOPIPTSA-N 439.654 4.565 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H](C)C1 1722401666 HAZOOTNAILDZTL-MOPGFXCFSA-N 443.016 4.502 30 10 IJEE C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C)(COC)CC1 1722479084 BGFLILMOAMBKON-UHFFFAOYSA-N 439.785 4.760 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CC=CCC1 1722495244 WFOIYSAPDUIHED-KZNAEPCWSA-N 437.426 4.898 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CCC 1722530438 FIMXNMZYCULDSY-AWEZNQCLSA-N 427.412 4.987 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722605878 VSXOIXDBESPTHH-UHFFFAOYSA-N 427.637 4.596 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722632223 LVKKQYMVRNDEPI-HXOBKFHXSA-N 433.547 4.679 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1Cc1ncccc1N(C)C 1722663126 SHXWVAZRTQWNLE-UHFFFAOYSA-N 436.629 4.774 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1722669906 QZYMSEDMVMBOKB-UHFFFAOYSA-N 442.567 4.696 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2sccc2C)C1 1722717143 FDGGFBCILWRQHU-INIZCTEOSA-N 432.952 4.937 30 10 IJEE CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccnc(OCc2ccccc2)c1 1722892320 CSDDPSRWGPGDNJ-UHFFFAOYSA-N 444.583 4.728 30 10 IJEE CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCC[C@@H]1C 1723386492 AZEYTMFBUDQPLT-FDDCHVKYSA-N 429.996 4.916 30 10 IJEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740632941 YMPIVJNYFBMDSE-UPVQGACJSA-N 444.623 4.662 30 10 IJEE C#CCN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@]1(O)CCCC1(C)C 1740663189 BSPQIDGFYVALOB-RUZDIDTESA-N 449.624 4.778 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1740670466 OJZUPXDLRVZTBW-PMACEKPBSA-N 442.051 4.738 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC(C)(C)C 1740762818 GTHHATCUDOBFPM-REWPJTCUSA-N 426.605 4.937 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)CN2CCCC2)CC1 1740833857 YKNXJDNBZWHUFT-PMACEKPBSA-N 441.595 4.692 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1740864674 NJKMQTQDBDFNEM-XMMPIXPASA-N 431.584 4.761 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cscc2C(F)(F)F)C1 1740976717 ZOAKSRCPWIZTEL-OAHLLOKOSA-N 438.475 4.756 30 10 IJEE CC[C@H](C)[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC#N)OC 1743518371 DFLYRQGEZLVPTR-IHRRRGAJSA-N 440.411 4.569 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(OC(C)C)nc1 1743915302 CYCSWCWBJTVMIS-SIKLNZKXSA-N 432.572 4.646 30 10 IJEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1748724663 GYLPCNQRQDPEBR-RUZDIDTESA-N 444.627 4.912 30 10 IJEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 1748734622 JSUXUIUFSAJUJG-CYBMUJFWSA-N 448.315 4.925 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS[C@H](C)[C@@H]1C 1749024509 SUQLUPZFSFOQLV-DLBZAZTESA-N 446.711 4.972 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1Cc1ccccc1-n1nc(C)cc1C 1749068302 HVXSYXGKRUADTC-AREMUKBSSA-N 430.600 4.710 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1749091679 DBHQKGLQFLNNAO-FUHWJXTLSA-N 431.378 4.879 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(F)F)C1 1749134482 ZKOLZGSCWVYNMW-SJBKTWHCSA-N 430.543 4.640 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)NC1CCCCC1 1749163242 DXPWRKNFYIXJIA-UHFFFAOYSA-N 448.615 4.592 30 10 IJEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@]2(CC=CCC2)C1 1749280241 FOLBINANHSORAL-HSZRJFAPSA-N 428.964 4.945 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2nccnc2C)CC1 1749292042 NTPFGFSDARUBQT-GOSISDBHSA-N 438.963 4.569 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCn2cc(C)cn2)CC1 1749335646 SCTSNJVZSVVKNC-UHFFFAOYSA-N 448.615 4.978 30 10 IJEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1749396663 CYNPXYXDLWSPHL-RTBURBONSA-N 444.649 4.609 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC1(C)C 1749529965 QECSBFINMJAODT-LJQANCHMSA-N 437.613 4.881 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1c(C)nn(-c2ccccc2)c1C 1749573877 KLLKOOAQAYCDLF-HSZRJFAPSA-N 432.572 4.549 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)c1ccccn1 1760226802 ZGWASZKBEFBUMG-UHFFFAOYSA-N 438.373 4.540 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1760316362 QNSHIYCNCAGDJJ-JUXOCIIHSA-N 439.560 4.850 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cc(C)cs1 1760323891 GOYPCGJGRRAMEP-AUSIDOKSSA-N 440.588 4.996 30 10 IJEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCc2ccc(Br)cc2C1 1760357885 OSARIUBVMAURPS-UHFFFAOYSA-N 447.421 4.785 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1760380398 AQHQTUKDKSKRPR-YDZRNGNQSA-N 437.028 4.733 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(COC)CCC2)CC1 1760383310 MOPNBTZDNPMSMA-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 1760400408 ZWYABHFYHXEHKU-OAQYLSRUSA-N 425.964 4.727 30 10 IJEE C=CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(C)C)CC1 1760402140 URBPYMYHPRFHFD-UHFFFAOYSA-N 431.625 4.841 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCCOC(C)C)CC1 1760403757 GCCSXUQEIAVFSA-UHFFFAOYSA-N 439.604 4.755 30 10 IJEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC=C(Br)C1 1760423850 OLDFPAGRKDQBEH-UHFFFAOYSA-N 431.334 4.519 30 10 IJEE C=CCCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCC2)CC1 1760430565 MYNWZCASLLTUKE-UHFFFAOYSA-N 425.646 4.910 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760434991 UHEWMDSCNMTCDG-KRWDZBQOSA-N 447.986 4.835 30 10 IJEE C=CCCOCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760446088 HDIWFWPTEKPONG-BJLQDIEVSA-N 444.645 4.585 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N(C)CC1CC(F)C1 1760446653 YNCXSMHGVYHVLK-UHFFFAOYSA-N 443.386 4.546 30 10 IJEE C=CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@](C)(O)c1ccco1 1760455012 YQDHABZVAZCHEG-NRFANRHFSA-N 428.945 4.936 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCC1 1760456065 GLNUNYVLPMEOMN-LJQANCHMSA-N 432.012 4.796 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1Cc1cc(Cl)ccc1OC(F)F)C1CC1 1760472259 AYKHRFYPRWYGEW-UHFFFAOYSA-N 433.890 4.742 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1 1760499150 PPGRDTFMTQBDIY-UHFFFAOYSA-N 440.542 4.878 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1occc1C 1760502097 NXYGQBLMDZNSIA-UHFFFAOYSA-N 426.586 4.864 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@H](C(C)(C)C)C2)cc1 1760531672 WJWYMJQJDMUOBN-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1760569740 ZBVWYQOXGOWWAH-CMKODMSKSA-N 430.593 4.930 30 10 IJEE CC[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc([C@@H](C)OC)n2)C1 1762450222 BWCOEJUNFASEEF-MWTRTKDXSA-N 436.585 4.655 30 10 IJEE CCN(CC)Cc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1764982848 HRCCIXQZPKVEJY-SANMLTNESA-N 446.599 4.867 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1772554895 YGLKDCVVHAZVEB-LPHOPBHVSA-N 445.405 4.783 30 10 IJEE C/C(=C1/SC(=Nc2nnc(C)s2)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 1772740070 YPDHYMJNKJYEIL-VTPWGRHDSA-N 437.506 4.953 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1C 1862429999 ZTGFUGQRKUIHIX-OAQYLSRUSA-N 426.944 4.569 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1ccc(F)cc1F)c1cccc(Cl)c1 1862446497 UIASUVMDQUUKNP-HXUWFJFHSA-N 440.833 4.792 30 10 IJEE CCCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 1862536610 CFKNUZHGINMGMZ-UPVQGACJSA-N 449.547 4.795 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(OC)c(OC)c1 1862551810 YNDCMQMRONWKRD-FYSMJZIKSA-N 449.547 4.959 30 10 IJEE Nc1cccc(C(=O)C2=C(O)C(=O)N(C34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2F)c1 1862556132 PNPJJEBIFOJGJI-PHDLEGTPSA-N 446.522 4.955 30 10 IJEE CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1862583060 RVHYVUWQFHKUDW-GOSISDBHSA-N 448.302 4.926 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1c(F)cccc1Cl 1862630916 DOZHHRUUGOVAOC-WLRWDXFRSA-N 431.847 4.585 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(Br)c1 1862647129 VZTSPQFKNCHBTB-SFHVURJKSA-N 448.288 4.585 30 10 IJEE Cc1ccc([C@@H](C#N)NC(=O)C(C)(C)NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 1867739252 RVEFVYAVCBPBJO-OAHLLOKOSA-N 438.742 4.845 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C(C)(C)C)n1 1869999984 AQDGVVYLLNSQHB-UHFFFAOYSA-N 431.968 4.661 30 10 IJEE CCCCCCCOc1cn(CCOc2ccc(OC)cc2)c(CSCCO)cc1=O 1870260049 WLXDSKQKTMPJKH-UHFFFAOYSA-N 449.613 4.511 30 10 IJEE Cc1ccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCCCC2)cc1 1870350476 ICOHUKMVMHQOHA-UHFFFAOYSA-N 427.548 4.642 30 10 IJEE C=CCOc1cn(CCN(CC)CC)c(CNc2ccc(OCCCC)cc2)cc1=O 1870811313 UAHCDMKJRXUGGT-UHFFFAOYSA-N 427.589 4.546 30 10 IJEE C=CCN([C@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1872255203 UQDOGDIWTIUQFB-QHCPKHFHSA-N 438.524 4.691 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccs1 1872373890 YWJNTGXOPABWSX-GOSISDBHSA-N 442.553 4.791 30 10 IJEE C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)ccc3O)c(=O)oc2c1C 1873909178 XZMUDPJZQZEAHC-UHFFFAOYSA-N 427.884 4.905 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3ccc(OC)cc3)c(=O)oc2c1 1873930555 YTUKWNOMVJFMJU-SFHVURJKSA-N 435.520 4.875 30 10 IJEE CCSc1nnc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(F)cc1F 1874207209 FMODFKCSSLJBSV-SSDVNMTOSA-N 437.313 4.904 30 10 IJEE CCCSc1nnc(Cc2ccc(OC)c(OC)c2)n1/N=C/c1cccc(Cl)c1 1874239210 WDAOPOHKOVKTOY-OEAKJJBVSA-N 430.961 4.924 30 10 IJEE CCCOc1ccc(/C=N/n2c(CCOC)nnc2SCc2cccc(F)c2)cc1 1874472071 LAOZNSVWBVUIKS-BUVRLJJBSA-N 428.533 4.569 30 10 IJEE CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(OC)cc1 1874477050 GVANMIKFGJWILC-HYARGMPZSA-N 425.514 4.712 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(CCC)nnc2SCC(=O)OCC(C)C)cc1 1874510681 VIFMJUIZSWWGLM-BUVRLJJBSA-N 446.617 4.973 30 10 IJEE COc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)Cc1ccccc1F 1875095122 ZWHXJEMWIAOVTE-PKNBQFBNSA-N 435.407 4.787 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc(Br)c2)cc([N+](=O)[O-])c1OC(C)=O 1875115403 BMXPTKNDVFQFFZ-BQYQJAHWSA-N 434.242 4.577 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(Cl)cc3C)ccc21 1890714077 ICFVTGLKWZVJHK-UHFFFAOYSA-N 428.916 4.604 30 10 IJEE CC(C)N(CC#CCNC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)C(C)C 1891393274 OSTUQZIKTBCQIS-UHFFFAOYSA-N 429.564 4.666 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1891579630 OUKNONRCUZAXCE-CYBMUJFWSA-N 449.370 4.999 30 10 IJEE C=C(C(=O)O)[C@@H](COCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951602299 NMMPDMKRVJUSRM-RUZDIDTESA-N 443.499 4.751 30 10 IJEE Cc1cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)ccc1C#N 1952855170 VBVCNBFVHOYJQT-SQHAQQRYSA-N 438.483 4.705 30 10 IJEE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C1(C#N)CCCC1 1984695865 RZJHPFJWLQGTAL-XMMPIXPASA-N 445.563 4.844 30 10 IJEE Cc1cc([N+](=O)[O-])c(C#N)cc1NCCN(OCc1ccccc1)C(=O)OC(C)(C)C 1998960290 HTLWCQHMRJEPTH-UHFFFAOYSA-N 426.473 4.556 30 10 IJEE C=CCC1(Nc2ncnc(Cl)c2Br)CCN(C(=O)OC(C)(C)C)CC1 2044080308 XIMWLHLGXSRRGP-UHFFFAOYSA-N 431.762 4.650 30 10 IJEE COc1ccc2nc(N3CCN(C)CC3)c(C=CC(=O)C34CC5CC(CC(C5)C3)C4)cc2c1 2053650896 YPCFJGSQUBZHIG-UHFFFAOYSA-N 445.607 4.794 30 10 IJEE COc1ccc(N(C(=O)OC(C)(C)C)[C@]2(C#N)CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)cc1 2057571218 CQRIFOYPGVATFY-JXQFQVJHSA-N 443.544 4.728 30 10 IJEE CC[C@H](CCCC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2085166974 MTACKKWZNLWTNN-ZWKOTPCHSA-N 438.418 4.545 30 10 IJEE Cc1cc(CNc2cc(I)ccc2Br)ccc1C#N 2097189312 UMFJFBRISCSCMT-UHFFFAOYSA-N 427.083 4.846 30 10 IJEE N#Cc1ccc(N[C@H]2COC3(CCN(C(=O)OCc4ccccc4)CC3)C2)cc1Cl 2162287909 KYMZGMKQZIGKIV-HXUWFJFHSA-N 425.916 4.584 30 10 IJEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2N1c1ccc(C#N)c(Br)c1F 2174766121 UPELPEWVWBDQAI-AEGPPILISA-N 438.341 4.732 30 10 IJEE CC[C@@]1(C(=O)Nc2ccc(Br)c(C#N)c2)CCCN(C(=O)OC(C)(C)C)C1 2180960774 GUNJFPRBDVEWMW-HXUWFJFHSA-N 436.350 4.687 30 10 IJEE N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2I)c(Br)c1 2197256655 DSOXVIQAJIALEJ-UHFFFAOYSA-N 445.010 4.626 30 10 IJEE CC(C)(C)OC(=O)NC[C@@]1(Oc2cc(Br)cnc2C#N)CC2CCC1CC2 2198816610 YPDUDRGEBSZDJJ-DHRDCHLVSA-N 436.350 4.568 30 10 IJEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cs2)OC1(C)C 2241478719 KSGHUHKAGNKUBO-UHFFFAOYSA-N 433.382 4.890 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)C1(C#N)[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2258329400 GKSKFOXOSDRSFV-IRXDYDNUSA-N 443.544 4.586 30 10 IJEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2260362737 IIQKHBJKJUMSCL-XLIONFOSSA-N 447.450 4.865 30 10 IJEE CCN[C@@H](C#Cc1cccc(Br)c1)C[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2296222786 VXEYSWUCXNQTJX-UGKGYDQZSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 2296265903 CJCQBBWIGBLNNB-MOPGFXCFSA-N 433.390 4.568 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2296275948 CEBUSSRHZWHOQT-DFQSSKMNSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)CN(CCC(F)(F)F)C(=O)OC(C)(C)C 2296293487 KBGIWMCHXBXIDR-MRXNPFEDSA-N 449.311 4.578 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1 2296293648 LWNQNIFOWZDPRB-DENIHFKCSA-N 435.406 4.816 30 10 IJEE CC(=NO)c1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 2318775352 JOXRDNQHOHGBGZ-MRXNPFEDSA-N 435.436 4.991 30 10 IJEE CC(C)(C)c1csc(NC(=O)[C@H]2CCCN(C(=O)C=Cc3ccc(F)cc3)C2)c1C#N 2318789383 UMHXVTYIHQXNNC-KRWDZBQOSA-N 439.556 4.947 30 10 IJEE COc1ccc(C=C2Oc3c(ccc4c3CN(Cc3ccccc3)CO4)C2=O)cc1OC 2321978761 RDSUZNFCJVYFOB-UHFFFAOYSA-N 429.472 4.672 30 10 IJEE COc1cccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1ccccc1C 2322312417 KJQGIZGASFFTNJ-UHFFFAOYSA-N 446.459 4.825 30 10 IJEE COc1cccc(C(=O)Oc2cc(C)c3c(c2)OC(=Cc2ccc(OC)c(OC)c2)C3=O)c1 2322723004 YDEGIDDSJXNFLU-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE O=C(Oc1ccc(C=NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 2323354462 DEPUUBRQLICFOV-UHFFFAOYSA-N 449.315 4.525 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(OC)c(C)c2)cc(OC)c1OCC(=O)NCCC 2323580067 NZGGCTSLLPXIBX-UHFFFAOYSA-N 437.536 4.542 30 10 IJEE COc1cc(C=CC(=O)c2ccccc2Cl)ccc1OCC(=O)NCc1ccco1 2323627100 FQIRTGMTMRICLM-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE CCOc1ccc(OCC)c(C(=O)C=Cc2cc(Cl)c(OCCO)c(OCC)c2)c1 2324395049 QGGPLDKSJRCAPG-UHFFFAOYSA-N 434.916 4.803 30 10 IJEE CCCOC(=O)COc1ccc(C=CC(=O)c2cc(Cl)cc(C)c2OC)cc1OC 2324540316 KMEXVHDSHCMIKY-UHFFFAOYSA-N 432.900 4.894 30 10 IJEE CCc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2C)OC(=Cc2ccc(C)cc2)C3=O)s1 2325445093 LNUALLGOZVIPLR-OAHLLOKOSA-N 449.532 4.740 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1cccc([N+](=O)[O-])c1)C2=O 2325737194 SEPYVFXGQSFNJD-UHFFFAOYSA-N 444.443 4.791 30 10 IJEE Cc1ccc(C=C2Oc3cc(OCC(=O)OCCOc4ccccc4)cc(C)c3C2=O)o1 2325745146 GBJUPSQYPHMTNY-UHFFFAOYSA-N 434.444 4.514 30 10 IJEE CCOc1ccc(C=Nn2c(CC)nnc2SCc2cc(C)ccc2C)cc1[N+](=O)[O-] 2326592229 ZVYLWMZSVOPCRL-UHFFFAOYSA-N 439.541 4.939 30 10 IJEE CCCOc1ccccc1C=Nn1c(CC)nnc1SCc1cccc(C(=O)OC)c1 2326756874 SWDCTGVZYLZTFI-UHFFFAOYSA-N 438.553 4.590 30 10 IJEE COc1cccc(CCc2nnc(SCc3ccccc3)n2N=Cc2ccc(O)cc2)c1 2328636607 XLLJCESRLCLQMT-UHFFFAOYSA-N 444.560 4.952 30 10 IJEE Cc1ccccc1CCc1nnc(SCCc2ccccc2)n1N=Cc1cccn1C 2329489279 WDAYDOYSIZJWHY-UHFFFAOYSA-N 429.593 4.927 30 10 IJEE Oc1ccc(C=Nn2c(Cc3cccs3)nnc2SCc2ccccc2F)cc1O 2330393822 VEESSPXPIJTYAK-UHFFFAOYSA-N 440.525 4.655 30 10 IJEE Oc1nc(CSc2nnc(C3CCCC3)n2N=Cc2cccs2)nc2ccccc12 2331085411 DCDWZCYVDBMSAS-UHFFFAOYSA-N 436.566 4.821 30 10 IJEE CCOc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOC)c(Br)c2)cc1 2331197074 MKSXKFFHHQSMPI-UHFFFAOYSA-N 433.298 4.686 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2334271314 ASVQQHCAXQAUPU-BBWFWOEESA-N 442.365 4.646 30 10 IJEE CC1(C)OB([C@]2(C)CCN(C(=O)c3cc(F)c(Br)cc3Cl)C2)OC1(C)C 2368435738 RTSYWDWPUHAIIV-GOSISDBHSA-N 446.553 4.940 30 10 IJEE Cc1cc(CNC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2369612529 GXTYHHZWAKXJDA-QILAJZQNSA-N 446.444 4.579 30 10 IJEE Cc1cc(CN2C[C@H](C)CN(Cc3ccccc3)C[C@H]2C)ccc1B1OC(C)(C)C(C)(C)O1 2369741329 KDUUKQVJQMOFGR-FYYLOGMGSA-N 448.460 4.637 30 10 IJEE Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)c1 12239395 UKWIUIJYMDHBQP-UHFFFAOYSA-N 425.492 4.742 30 10 IJEE CCCCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CC(C)(C)CC1=O)N2 20850787 HBDNVSXGTFTVPP-HXUWFJFHSA-N 442.585 4.846 30 10 IJEE CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1cn(CCC#N)c2ccccc12 24651354 WKWXWPKYGJHUTC-BUHFOSPRSA-N 428.536 4.754 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)n(CC)c1C 24769084 HSJGJEFQIOCYLN-UHFFFAOYSA-N 428.533 4.595 30 10 IJEE CCc1cccc(NC(=NC(=O)c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)c1 32946291 OXLHXGMYXXSDQU-UHFFFAOYSA-N 430.527 4.819 30 10 IJEE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=N)N)CCC2 40824875 HPJHPUBZGXFKNG-OUAZLGPDSA-N 429.484 4.779 30 10 IJEE C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(CC)C2=O)cc1Cl 100936975 LDYPSSUOXPVWNN-ZOVWXIRQSA-N 440.908 4.674 30 10 IJEE COc1ccccc1[C@@H]1C(C(=O)c2c[nH]c3ccccc23)=C(O)C(=O)N1c1ccc(C#N)cc1 169945485 CBIJIPCUCDCYSB-XMMPIXPASA-N 449.466 4.831 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)ccc1F 170047937 KLNQIFPNNZGZNI-HSZRJFAPSA-N 430.479 4.983 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3OC)[C@H]2c2cccc(O)c2)cc1 170080366 PSWZSQUVNHNYCE-HSZRJFAPSA-N 445.471 4.501 30 10 IJEE COC(=O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccco2)c1 170093598 RPDPTEHCJMHVQO-LJQANCHMSA-N 437.835 4.503 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccs3)oc12 170162615 HDQKNKVEXIVRMU-IBGZPJMESA-N 435.457 4.874 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@@H]1c1cccnc1)c1cc2cc(Cl)ccc2o1 170193405 CCJUEYKSVWCKCF-OAQYLSRUSA-N 445.862 4.655 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)c1 170199894 WDHAPSXDIFUZBN-QFIPXVFZSA-N 432.451 4.792 30 10 IJEE Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccncc2)cc1 170204433 PVFHNFSJXITJOH-HXUWFJFHSA-N 449.304 4.935 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(CCOC(C)C)[C@H]2c2ccccc2)c1 170222287 HQMKGSBRBDCIOT-QHCPKHFHSA-N 437.536 4.725 30 10 IJEE COc1ccc(C(C)(C)C)cc1C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1 170229767 YPTGWFDOBUDTFK-CVDCTZTESA-N 449.547 4.750 30 10 IJEE COc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)cc1C 170258322 QWQHFHQYDUDSLM-HSZRJFAPSA-N 447.462 4.940 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccco2)cc1 170281371 BFXPWVDODBAJGW-JOCHJYFZSA-N 447.443 4.580 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(F)ccc3OC)[C@H]2c2ccco2)cc1 170285465 MYUZAZZLFPDMFA-OAQYLSRUSA-N 437.423 4.609 30 10 IJEE COc1ccc(C)cc1C(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)[C@H]1c1ccc(C)o1 170306225 RGZHEXPNJXRHPR-NRFANRHFSA-N 439.414 4.966 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1 170361028 IKHYBFHONWCQTE-HXUWFJFHSA-N 425.387 4.739 30 10 IJEE O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1)c1ccccc1 170413146 QMOBPPKMAFMELW-JOCHJYFZSA-N 433.891 4.867 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 170434615 RMODIZCJKLIWFE-HSZRJFAPSA-N 439.508 4.618 30 10 IJEE CC(C)C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(OCc2ccccc2)c1 170457602 PVJGVBASPOTKTJ-HSZRJFAPSA-N 431.488 4.979 30 10 IJEE C=CCn1c(=NC(=O)c2cc3ccccc3cc2OC)sc2cc(C(=O)OC)ccc21 254481686 HNUXZKDSFNKXMT-UHFFFAOYSA-N 432.501 4.578 30 10 IJEE CC(C)[C@@H]1CN(C(=O)c2sccc2C#N)c2ccccc2N1C(=O)c1sccc1C#N 427621518 NQCXRSMUGYYTQY-IBGZPJMESA-N 446.557 4.885 30 10 IJEE N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN3c3ncnc4ccccc34)c2)cc1 442496310 BYLAWDNIMVULCS-DEOSSOPVSA-N 435.487 4.901 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 460550923 CSCULVHNWAGCIP-ZOKDDAQRSA-N 426.561 4.904 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCO1 461057323 MYPBUOHRZLYVGM-OAQYLSRUSA-N 429.524 4.500 30 10 IJEE CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccc(OC(C)C)cc1 526829284 ZZSWBWFXYCHGNL-XKZIYDEJSA-N 425.514 4.710 30 10 IJEE COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccc(F)cc1 537174668 XAVQAHGDLIBVPX-JOCHJYFZSA-N 426.536 4.537 30 10 IJEE N#CCN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 586245863 XNPDARIHPRGWAM-UHFFFAOYSA-N 425.215 4.611 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nc(C)ncc1Cl)c1ccc2c(c1)OCO2 607770450 SUEVLEAUEWOEQH-UHFFFAOYSA-N 437.883 4.579 30 10 IJEE N#C[C@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccccc1 700313283 ISOGGZSAUDSFNP-UUOWRZLLSA-N 426.472 4.676 30 10 IJEE C[C@H](NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(OCC#N)cc1 705610828 PNMKTNQEPYVEAR-QHCPKHFHSA-N 441.575 4.711 30 10 IJEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1cccc2ccccc12 733197784 SBSCOFGAVRGOMW-QFIPXVFZSA-N 443.528 4.529 30 10 IJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 773599849 KVENBHXLXOSTIF-MRXNPFEDSA-N 446.528 4.503 30 10 IJEE C=CC[C@]1(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)CCCN1C(=O)OC(C)(C)C 791721075 WISYMVXWEVLJME-JOCHJYFZSA-N 447.919 4.779 30 10 IJEE C#C[C@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C)c2)c1)c1ccc(Cl)cc1 810472050 BNWMTQYBQICGOB-QHCPKHFHSA-N 432.907 4.657 30 10 IJEE CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)SC1=Nc1ccc(F)cc1 1084353184 XZBOGSFLDBKHMZ-HNNXBMFYSA-N 426.300 4.723 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)COc1ccc(Cl)c(F)c1 1125672073 BAGRNGCOTNHFRH-UHFFFAOYSA-N 430.676 4.974 30 10 IJEE C=CCCn1cc(C(=O)Nc2nc3cc(Cl)ccc3n2CCCc2ccccc2)nn1 1125721187 NRUCCONYYWBHEC-UHFFFAOYSA-N 434.931 4.742 30 10 IJEE C=CCOc1ccc(CC(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1 1129277080 RTUGXOUWSOEVLS-BVAGGSTKSA-N 447.506 4.501 30 10 IJEE C[C@H]1CCc2sc(NC(=O)CCCN3CCN(c4ccccc4)CC3)c(C#N)c2[C@H]1C 1129354947 CPNAPGWQQUOWFB-OALUTQOASA-N 436.625 4.846 30 10 IJEE C#C[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccc(F)cc1 1129716344 DERXZCJBWCMTER-IBGZPJMESA-N 425.257 4.880 30 10 IJEE C[C@H]1CC(=O)Nc2ccc(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)cc2N1 1136285527 ICKQNQQRMHVLOI-KRWDZBQOSA-N 440.503 4.727 30 10 IJEE C=CC1(CC(=O)N(CCc2cccc(F)c2)C2CCCC2)CN(C(=O)OC(C)(C)C)C1 1137537055 GIVSDMHHIQCISW-UHFFFAOYSA-N 430.564 4.953 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 1138264076 JHCMSVIBVSUDMT-UXPWSPDFSA-N 436.980 4.878 30 10 IJEE CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Br)c(C#N)c2)cc1OCC 1157058623 BXWPMCKDWQCESY-UHFFFAOYSA-N 445.313 4.720 30 10 IJEE C=CCn1c(SCc2cc(O)nc(C3CC3)n2)nnc1-c1ccc(Br)cc1 1164621212 KUFQDLOVQIQULZ-UHFFFAOYSA-N 444.358 4.559 30 10 IJEE C=CCN(Cc1ccccc1F)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 1167138891 SHTOCBYSAOQZHP-MRXNPFEDSA-N 444.572 4.958 30 10 IJEE N#Cc1c(NC[C@@H]2CSCCN2Cc2ccccc2)nc2c(c1C#N)CCCCCC2 1186094772 FYWQIAAXZJUCJU-HXUWFJFHSA-N 431.609 4.513 30 10 IJEE C#Cc1cccc(N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)Cc2cccs2)c1 1191960799 MZVSLUXJFNXSEB-UHFFFAOYSA-N 425.897 4.936 30 10 IJEE C=C(CNC(=O)Nc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1)c1ccccc1 1207647508 RTBZLKLVGLTZCJ-JOCHJYFZSA-N 437.540 4.830 30 10 IJEE C=CCCCN(CC)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 1213959863 FJOHKYRAAGJJTK-LOSJGSFVSA-N 426.626 4.581 30 10 IJEE Cc1cccc([C@H]2CCCCN2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C 1226111118 HPRZKSFZEYQEME-DNQXCXABSA-N 430.552 4.607 30 10 IJEE C=C(C)[C@H](NC(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccc(F)c(F)c1 1234554923 GLNRZVGVVXJPLS-UGNRZPKXSA-N 449.542 4.917 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OC)cc1I 1264208639 LJPOUQVRNINTOI-UHFFFAOYSA-N 447.725 4.843 30 10 IJEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1csc(C(C)C)n1 1286436396 GYSYKDKGLNBXKU-UHFFFAOYSA-N 445.596 4.617 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N(CC)CC1CC1 1286552344 LXOLHZQWHTXIER-KPLVRAHFSA-N 428.552 4.775 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCSC(C)(C)C1 1286556696 FAGNQMPFJWQEJX-NQIIRXRSSA-N 447.048 4.835 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1286558382 OKHXFLMPWNQDST-IZIIKQMZSA-N 426.605 4.621 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@H](F)COC 1286569927 HBDSUYBUZATXKI-SFHVURJKSA-N 429.565 4.764 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1C[C@H](CC)N1CCc2ccccc2C1 1286571922 UMVBJQHFVMZFMG-DEOSSOPVSA-N 430.600 4.579 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1286600015 HBTXZPXJZVSKON-IPJJNNNSSA-N 428.552 4.919 30 10 IJEE C=CC1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1286664966 NFCLAKWKIRCSTM-DHIUTWEWSA-N 435.660 4.834 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N(C)CCc1ccc(Br)cc1 1286702061 KJCYFBDJIGDNFG-UHFFFAOYSA-N 440.389 4.672 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1cccnc1OCCC 1300285267 ZNNBJSQKEAMRGE-MSOLQXFVSA-N 449.624 4.821 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1COCC 1300441642 VINWLZNKWIQTLV-SFHVURJKSA-N 434.609 4.786 30 10 IJEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(c2ccccc2C)CC1 1300595899 SQEDUFKNQOWIGQ-ISKFKSNPSA-N 444.623 4.700 30 10 IJEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCC1CC(OC(C)(C)C)C1 1300614164 YSUGUYXKKNWNDQ-UHFFFAOYSA-N 431.584 4.937 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(Br)s2)n1CCC 1300643831 UWPLPXQRKLIZKH-UHFFFAOYSA-N 433.350 4.958 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1300930834 NIEXJACPILOIJE-APWZRJJASA-N 433.394 4.925 30 10 IJEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 1301044096 CCFFJXDWHCVYNM-UHFFFAOYSA-N 449.977 4.600 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCC(C)C)C1 1301150899 DCTJUICDFHIPIM-UGKGYDQZSA-N 440.588 4.644 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1CC1(c2ccccc2OC)CC1 1301379761 SCOGLHXXTQSLOT-UHFFFAOYSA-N 435.959 4.912 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2ccccc2OC)CC1 1302887073 ZTWUOWRJQJTSRW-PKOBYXMFSA-N 436.980 4.827 30 10 IJEE C#CC[C@@]1(C(=O)N2CCC(c3ccc4[nH]ccc4c3)CC2)CCCN1C(=O)OC(C)(C)C 1304586973 JLXRGCPVWUQVET-SANMLTNESA-N 435.568 4.667 30 10 IJEE CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@H]1C 1305224626 GDYXJXHCSLMKKL-WIYYLYMNSA-N 435.597 4.966 30 10 IJEE CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)s1 1305994690 DZGCVFAHNGUBEO-UHFFFAOYSA-N 449.609 4.594 30 10 IJEE N#Cc1cc(F)c(N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1Br 1306958347 BRMISNICNZIYDL-CYBMUJFWSA-N 449.299 4.637 30 10 IJEE C=CCCn1cc(CNc2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)nn1 1307147423 PJZWGMQCWICBME-UHFFFAOYSA-N 444.230 4.935 30 10 IJEE CC(C)CCN(CCC#N)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 1310876576 DUDFTZUPAXRUCN-UHFFFAOYSA-N 425.480 4.941 30 10 IJEE C=C(C)C[C@@H](CO)NC(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C 1312049547 FEXGRMCELHPCOL-BBRMVZONSA-N 438.391 4.568 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1OC)c1ccc(Br)cc1 1312245775 CGJJDBRPPYHDSX-GHTZIAJQSA-N 439.309 4.814 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 1312853491 UAYGEWSCTCENIQ-JOCHJYFZSA-N 444.417 4.710 30 10 IJEE C[C@@]1(CCc2ccccc2)CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1312944125 ADPCGYHJPIOMNL-HHHXNRCGSA-N 430.596 4.577 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 1313135201 DGXYBEQRMNDOLF-OAHLLOKOSA-N 442.343 4.697 30 10 IJEE COc1ccc(O[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)cc1 1315518628 FCLHMGFAIPBUSD-UQBPGWFLSA-N 437.588 4.617 30 10 IJEE C#CCOc1ccc(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cc1 1352838080 OWEWHCKXJSQZRP-RMKNXTFCSA-N 425.484 4.830 30 10 IJEE CCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H](C)c1ccccc1OC 1353497076 GTGBRUFMULOYLV-OAHLLOKOSA-N 431.330 4.708 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2cscc2C(F)(F)F)c(C(=O)OCC)c1C 1353746165 JBOKLYTZHGBWQE-UHFFFAOYSA-N 447.456 4.909 30 10 IJEE C#CC[C@@]1(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CCCN1C(=O)OC(C)(C)C 1354000132 YARLNUIBUGYLCY-QFIPXVFZSA-N 429.517 4.681 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cc(OC)cs1)c1ccc2c(c1)OCCO2 1355189386 CAFWMCOVQRHYKX-UHFFFAOYSA-N 437.517 4.940 30 10 IJEE C=CC[C@]1(C(=O)N(C)CCCOc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1356273722 VHMIMVKBUIBJIN-HSZRJFAPSA-N 436.980 4.913 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCCN1CCCC 1358879265 NUYLIGQKUDGHQU-IEBWSBKVSA-N 431.987 4.850 30 10 IJEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)Cc1cc(Br)cs1 1358909681 NXHKDEULULTAGY-UHFFFAOYSA-N 432.391 4.548 30 10 IJEE C#CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)CC1CC(F)(F)C1 1358924494 YFNDLLZOJVUQAS-UHFFFAOYSA-N 432.515 4.636 30 10 IJEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@H](c1cccs1)N1CCCC1 1358938817 KBPWUFJBTRLHOG-VXKWHMMOSA-N 433.625 4.788 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nc(C(C)C)cs1 1358942124 KCCAKJVOSOORGW-OAHLLOKOSA-N 425.627 4.829 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCc1coc(-c2ccc(C)cc2)n1 1358988184 GQBBMATWDMZPNN-UHFFFAOYSA-N 439.519 4.516 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@](C)(O)CC 1359065524 SQMIUBQSSXSNRU-DNQXCXABSA-N 435.597 4.530 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)Cc1ccc(C)o1 1359104087 XSGQEJTUJJGFQD-RDGATRHJSA-N 434.584 4.972 30 10 IJEE C=C(C)CN(CC)c1nnc(CCc2ccccc2)n1Cc1cccc(Br)n1 1359115892 QBFXYNFXPDILML-UHFFFAOYSA-N 440.389 4.672 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC(C)(OC)C1 1359142287 DRXWVUDELSSJEP-OAHLLOKOSA-N 425.360 4.666 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359145135 GUYOZDJEFWOFCQ-YPMHNXCESA-N 443.798 4.525 30 10 IJEE C=C(Cl)Cn1c(N(Cc2ccc(F)cc2)C(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1359156816 QQMNRKRHEYJRSG-JOCHJYFZSA-N 436.959 4.625 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2cc(OC)ccc2OC)CC1 1359178320 OMHXJLCQNKOGHN-HSZRJFAPSA-N 440.588 4.572 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359185520 ZRGHQDZHGKVYEQ-UHFFFAOYSA-N 448.615 4.502 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1359192885 QURKOEDIFPGRKK-UXHICEINSA-N 430.980 4.963 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CCCC(F)(F)F 1359260648 KLMJSLPIUOBNNA-UHFFFAOYSA-N 433.453 4.938 30 10 IJEE C=CCN(CC=C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC2(CCOCC2)C1)C(C)C 1359266111 UCMMFHFZSWNPBZ-QHCPKHFHSA-N 441.664 4.641 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1359338631 BVZSNDGRRKGGHR-QGZVFWFLSA-N 429.615 4.915 30 10 IJEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(c2nccs2)CC1 1359339790 QPRSOJZYXHMOOD-UHFFFAOYSA-N 441.626 4.713 30 10 IJEE C=CCc1ccc(OCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(OC)c1 1360925416 DBRCOMPRGVQZIM-UHFFFAOYSA-N 432.476 4.944 30 10 IJEE Cc1cc(C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)nn1-c1cccc(C#N)c1 1437089400 HWGFDDREZAZQLG-UHFFFAOYSA-N 440.478 4.701 30 10 IJEE C#C[C@@H](NC(=O)c1cccnc1Nc1ccccc1OC)c1ccc(Br)cc1 1450277481 VDEHRWCYKJDNIN-GOSISDBHSA-N 436.309 4.701 30 10 IJEE COc1cccc([C@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CCN2)c1 1454467467 GRVLBZCISIMEIB-XMMPIXPASA-N 443.572 4.646 30 10 IJEE C=CC[C@]1(C(=O)NC[C@@H](CC)Oc2ccccc2Cl)CCCN1C(=O)OC(C)(C)C 1457402670 WDPNCOUQKZYHRY-UZUQRXQVSA-N 436.980 4.959 30 10 IJEE C=CCOc1ccc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 1458770138 UQBQAPAHKQCKHK-UHFFFAOYSA-N 434.941 4.735 30 10 IJEE C=CCN1CC[C@@H](N(Cc2ccc(Oc3ccc(Br)cc3)cc2)C2CC2)C1=O 1459463100 HRXKVHXYWAIZQB-JOCHJYFZSA-N 441.369 4.993 30 10 IJEE C=CCC1(CNS(=O)(=O)c2cc(Br)ccc2Br)CCCC1 1463693685 YQIUOJOOCPZGFF-UHFFFAOYSA-N 437.197 4.626 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(c2c(F)cccc2F)CCCC1 1464756277 UHCLPTACXLTWRM-KRWDZBQOSA-N 442.934 4.929 30 10 IJEE C=CCn1c(S)nc2cc(C(=O)NC(C)(c3ccccc3)c3ccccc3)ccc2c1=O 1464996481 XIUYCIQLWDFVMD-UHFFFAOYSA-N 441.556 4.565 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCOC[C@H]1c1ccc(OC)cc1 1466816301 IUCJNTRLDDJFPD-IBGZPJMESA-N 447.329 4.628 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1468344660 CUOIFZDPWJATPW-JOCHJYFZSA-N 439.600 4.843 30 10 IJEE C#C[C@H](NC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)c1ccc(Cl)cc1F 1468497989 HXPQWLYMHVLSEY-SFHVURJKSA-N 437.943 4.680 30 10 IJEE N#Cc1ccc(C2CCN(C(=O)NCC3(c4cccc(Br)c4)CC3)CC2)cc1 1468896114 GAFCZWDHILXHJY-UHFFFAOYSA-N 438.369 4.942 30 10 IJEE C#CCCS(=O)(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CC1 1474954369 LFQDYZUEWBGLGN-UHFFFAOYSA-N 434.355 4.559 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCCN1C1CCCCC1 1476728758 KZCHNJQTVWXUMW-SFHVURJKSA-N 436.394 4.933 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1csc(C(C)(C)C)n1 1507603867 ZFQWMOKIGOEQEV-MRXNPFEDSA-N 441.576 4.623 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](SC)C(C)(C)C 1507665732 UMXIZKAKGFHTBX-QFIPXVFZSA-N 433.625 4.677 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1507671413 IJVQSVYXAGDHSU-OALUTQOASA-N 434.531 4.762 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H](SC)C(C)(C)C 1507701427 GOTFMZJTZQDHRP-FPOVZHCZSA-N 444.620 4.729 30 10 IJEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)c2ccccc2F)CC1 1507888137 CQYLDSCCAGVAJZ-UHFFFAOYSA-N 425.577 4.907 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CC2(OC)CCC(C)CC2)CC1 1507901827 QSPWHEMVMVALSN-UHFFFAOYSA-N 438.616 4.875 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(CC)CCOCC2)CC1 1507903983 WAMXAFOWRKLNJR-UHFFFAOYSA-N 430.543 4.756 30 10 IJEE C=CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(F)F)CC1 1507926044 AASPCVWOVRYRHB-UHFFFAOYSA-N 431.575 4.986 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCSCC(F)(F)F 1508012228 ZLACBHDQPZFCAS-OAHLLOKOSA-N 432.537 4.679 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1508160835 XPAJIXNGCKTIAU-GOSISDBHSA-N 429.609 4.709 30 10 IJEE CC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@H]2CCCCO2)CC1 1510322496 BWZHCWZZEMIKQB-OAQYLSRUSA-N 437.588 4.704 30 10 IJEE C#CCN(C(=O)[C@@H](C)Cc1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1521820192 YMMNJQANSFGUNN-LAUBAEHRSA-N 426.354 4.922 30 10 IJEE C=CCN(C(=O)CCCn1nc(C)cc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1522119645 TZURPQKRGUJRAI-UHFFFAOYSA-N 425.514 4.531 30 10 IJEE C=CCn1c(SCC(=O)N(C)CCc2ccccc2C)nnc1-c1ccc(Cl)cc1 1523542098 UHHWXIAFIJHWPE-UHFFFAOYSA-N 441.000 4.886 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)C2(Cc3ccccc3)CC2)c(C(=O)OCC)c1C 1525888014 VNOZWJCOVGICHK-UHFFFAOYSA-N 427.522 4.537 30 10 IJEE C=CCc1cc(CNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc(OC)c1OC 1528661652 NMHKAJMIQJSWQE-UHFFFAOYSA-N 445.563 4.952 30 10 IJEE C=CCN(C(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)[C@H](Cc1ccccc1)C(=O)OCC 1529014107 AZMDPQQCPCFZPX-WMZHIEFXSA-N 448.567 4.513 30 10 IJEE C=CCC(F)(F)C(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C(=O)OCC 1529782672 OURSCLKRQCUNEB-UHFFFAOYSA-N 425.453 4.759 30 10 IJEE COc1cc(C#N)ccc1C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 1532361644 IDHRWENQMVHPAJ-UHFFFAOYSA-N 433.411 4.765 30 10 IJEE C=CCc1ccc(OCC(=O)N[C@@H](CC)Cc2ccccc2Br)c(OC)c1 1535031559 ZMYOUAGPZYNTBL-SFHVURJKSA-N 432.358 4.703 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1535468346 PIQRCYOLFRKNKV-QSFXBCCZSA-N 435.738 4.657 30 10 IJEE C#CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@@H]1CCCc2ccccc21 1538324180 VHRIEZWGGMSGHO-JOCHJYFZSA-N 439.346 4.786 30 10 IJEE C=CCN(C(=O)Cc1csc(C2CCCC2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618655 NFAJRDOAVHLKHJ-NRFANRHFSA-N 426.582 4.532 30 10 IJEE C=CCn1ncc2ccc(NC(=O)c3cc(Br)nn3-c3ccc(C)cc3)cc21 1538951469 NIBHKVYGNOMGSQ-UHFFFAOYSA-N 436.313 4.731 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCCN1CC 1538987241 RUCJMMVGAQOKDZ-YLJYHZDGSA-N 437.588 4.755 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC(c2cnn(CC)c2)CC1 1539076658 UTDCWIAJRADMJI-UHFFFAOYSA-N 430.600 4.581 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)Oc1ccccc1 1539245287 DANOYWDOKVQAQR-WOJBJXKFSA-N 444.604 4.672 30 10 IJEE C#CCSCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1539499545 MJCVYOODFDNKQV-IEBWSBKVSA-N 444.670 4.503 30 10 IJEE C=C(Br)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[C@H](C)C1 1539578672 BKPYTJPETKUIGR-HOCLYGCPSA-N 435.366 4.572 30 10 IJEE C=C(Br)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1539578844 CLISXHYZUZDZOE-VAMGGRTRSA-N 445.405 4.734 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(C)C 1539629415 XFOUSIRKLDEIIQ-NFBKMPQASA-N 434.588 4.594 30 10 IJEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 1539723070 WVNBQNBODFHXCM-OAHLLOKOSA-N 443.539 4.854 30 10 IJEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1539924702 XOKOSQYXAWGKHQ-AZUAARDMSA-N 445.652 4.963 30 10 IJEE C=CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1539986266 XJIYBOJRVLSXOM-MOPGFXCFSA-N 431.378 4.822 30 10 IJEE C=CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C)C1CC1 1540114273 KCJFORNMYIJVQY-YKSBVNFPSA-N 438.616 4.896 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(OC)cc2C(F)(F)F)C1 1540883192 VUDPBOBSMVDETR-QAPCUYQASA-N 438.494 4.649 30 10 IJEE C=CCOc1ccc(CC(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)cc1 1544324250 BEUJAGMQRJUBSN-UHFFFAOYSA-N 435.427 4.850 30 10 IJEE C=CCn1c(SCC(=O)Nc2sccc2C(C)=O)nnc1-c1ccc(Cl)cc1 1544428576 QJOKSVWMVPOHPQ-UHFFFAOYSA-N 432.958 4.779 30 10 IJEE C#Cc1ccc([C@@H](OC(=O)Cn2c(C(F)(F)F)nc3ccccc32)C(F)(F)F)cc1 1544661401 JNQAZMGPCBTURC-QGZVFWFLSA-N 426.316 4.883 30 10 IJEE Cc1ccc(CC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)cc1C 1545077696 CGAYJPSGQUNBFH-QFIPXVFZSA-N 449.982 4.663 30 10 IJEE CN(C)c1ccc(/C=N\N=C2/S/C(=C\c3ccccc3F)C(=O)N2Cc2ccco2)cc1 1554646626 YFRRKBYYPKONDT-HWJUDHBUSA-N 448.523 4.991 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C 1556967295 DSELBDAKOGFYII-UHFFFAOYSA-N 441.366 4.893 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cnc(Cl)c(C)c2)c1 1561074567 BYSHRLBZRNVZJM-UHFFFAOYSA-N 443.908 4.607 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1 1561247706 RCBRYXSBDJEHLC-FQEVSTJZSA-N 436.980 4.541 30 10 IJEE C#C[C@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)c1ccc(Br)cc1 1563999033 WRFUNUQIOHGEMG-IBGZPJMESA-N 432.337 4.608 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 1567946755 WKJUNKTUNGESJH-INIZCTEOSA-N 443.466 4.766 30 10 IJEE C=CCO[C@H]1CCN(C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)C1 1583390105 AKPPYTXLAXTZLP-KRWDZBQOSA-N 436.371 4.815 30 10 IJEE CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 1585692506 CQRCPCGNJCMIDQ-XMMPIXPASA-N 442.519 4.813 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](CCC)NC(=O)NCc1ccc(F)cc1 1586882566 STHYZTCKOYHQTR-GOSISDBHSA-N 437.968 4.723 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCOC1CCCCCC1 1587562312 NWXPNIFVILCNSJ-RTBURBONSA-N 428.552 4.755 30 10 IJEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H]2CCC[C@H]21 1587711971 JOFROXTXDCVKOB-FUHWJXTLSA-N 430.394 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCO[C@H](C)C1 1589150668 INLGTLXCWOTSNS-INGGGZDUSA-N 436.600 4.842 30 10 IJEE C=CCC(C)(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1594484860 WWPWWIBOZHDQJW-LJQANCHMSA-N 448.615 4.770 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccco2)C1 1594572740 JPEWBWKNEWVEGA-MRXNPFEDSA-N 444.377 4.989 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1594582616 RURWOOLNOYKTSZ-HKUYNNGSSA-N 429.996 4.636 30 10 IJEE C=CCN(CC=C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1ccsc1)N(C)C 1595204354 APRKAYVJPFMMQU-QFIPXVFZSA-N 432.597 4.969 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 1595548055 DBOCEXMGNVJVJH-NRFANRHFSA-N 430.589 4.570 30 10 IJEE C#CCN(C(=O)c1oc2ccccc2c1COc1ccccc1Cl)C1CCN(C)CC1 1611146110 YTMHBJDQVAOKMZ-UHFFFAOYSA-N 436.939 4.835 30 10 IJEE O=C1/C(=C\c2ccccc2)S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 1615304515 FXBNCJYIJPLALR-WLAAGDGTSA-N 432.461 4.694 30 10 IJEE C/C(=C/C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1ccc(F)cc1 1616284663 LWYGASBQBJRVET-KPRDYVAISA-N 431.298 4.858 30 10 IJEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCCOCC1 1624042336 OLZOAPHUDJHTRY-KBMIEXCESA-N 448.563 4.545 30 10 IJEE C=CCCSCCNC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 1625191060 QHXKMAGUHJUFCY-UHFFFAOYSA-N 433.599 4.535 30 10 IJEE Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)C 1625370248 FRMUINJZADHXIE-RXFWQSSRSA-N 427.548 4.867 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1ccc(SCC)cc1Br 1627263879 CAFFUAZPHBUZLP-UHFFFAOYSA-N 438.387 4.794 30 10 IJEE C#CC[C@]1(C(=O)N2CC=C(c3cccc4ccccc34)C2)CCCN1C(=O)OC(C)(C)C 1632614328 HCALYPZLQGKQLS-HHHXNRCGSA-N 430.548 4.858 30 10 IJEE C=CCNc1ncc(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)s1 1634590932 KXHMCMASZYUBPS-GFCCVEGCSA-N 434.281 4.927 30 10 IJEE C=CC[C@H](C(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccccc1 1642117939 FZMHMWDENVAKGF-YTFSRNRJSA-N 442.600 4.657 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC1(C)C 1642511584 FBXWHRYDAVHBCQ-VXKWHMMOSA-N 438.955 4.951 30 10 IJEE C=CCn1c(SCC2(OCCCOC)CCCC2)nc2sc3c(c2c1=O)CCC3 1643464448 JPFZCIATCLJABX-UHFFFAOYSA-N 434.627 4.591 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(C(F)(F)F)c3cn[nH]c3c2)CCCN1C(=O)OC(C)(C)C 1645014213 FDYAMPIAPXDUGU-FQEVSTJZSA-N 438.450 4.866 30 10 IJEE C#CCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1 1650797574 YIVIULNPRKOOOI-FQEVSTJZSA-N 433.335 4.789 30 10 IJEE C=C(C)Cn1c(SC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)nnc1-c1ccncc1 1651856550 KLTMIDMXUQEJRK-AEFFLSMTSA-N 429.590 4.511 30 10 IJEE C#CCN(C[C@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@H]1CCc2ccccc21 1652348067 UIZNPBUCJAKEJR-DHLKQENFSA-N 434.580 4.926 30 10 IJEE C=C(Br)CN1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O2 1660744150 ZGGQWYPBALKYNK-QGZVFWFLSA-N 437.378 4.778 30 10 IJEE CC(C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N 1663277207 ADMYDWFDRRYLOP-MGPUTAFESA-N 433.371 4.559 30 10 IJEE CCN(C(C)=O)c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 1663322267 DMHLYBLFLGZEJW-UHFFFAOYSA-N 445.498 4.699 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)C1 1667099540 COKKRHSUHBCGQJ-LJQANCHMSA-N 429.520 4.972 30 10 IJEE COc1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1-c1ccccc1 1667452765 CZVLRXNCFHUIBQ-ZEQRLZLVSA-N 432.545 4.823 30 10 IJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1 1667540069 CZTWKVOHXLHORC-RXVVDRJESA-N 437.540 4.969 30 10 IJEE C#CCC1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCCCC1 1671761099 OYRLYWYVTHBVTF-UHFFFAOYSA-N 425.175 4.760 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)c(F)c1 1674272803 GDICTKYQPCSNHK-UHFFFAOYSA-N 442.538 4.751 30 10 IJEE CC1(c2ccc(Br)cc2)CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 1676071525 GQOFYXZTYWQIMT-UHFFFAOYSA-N 430.321 4.723 30 10 IJEE C=CC[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccncc1 1677731799 YHCHTGSFQCNKCA-KKUQBAQOSA-N 444.554 4.805 30 10 IJEE N#Cc1ccc(N2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)CC2)c(F)c1 1678801411 GJOBDYYNONDWEY-QFIPXVFZSA-N 426.923 4.724 30 10 IJEE C#CCN(C(=O)N[C@H](CC)CSc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1680625534 OYAOMAZQWCFPET-LJQANCHMSA-N 445.629 4.602 30 10 IJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 1680750618 MCMKJGDONQELDI-NNPDTBDGSA-N 443.588 4.934 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 1680893343 TVMWFRGZPFUVKK-ZCYQVOJMSA-N 432.564 4.834 30 10 IJEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCc2cc(NC(=O)OC(C)(C)C)ccc21 1684569938 APZZMCZCXJSRDE-NRFANRHFSA-N 435.524 4.532 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCO[C@H]1CCCC[C@@H]1C 1689831275 IIEDEOQXVIDLCR-WXVUKLJWSA-N 431.584 4.855 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCc1nccs1 1689834953 CJVVNQQJRFSPRP-CVEARBPZSA-N 425.627 4.679 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)C[C@@H](C)C1 1689889071 YBLNIUVQALMZHL-NJDAHSKKSA-N 443.636 4.678 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1690162045 ZCGBMKVKQLWEBP-FGZHOGPDSA-N 438.641 4.658 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC=C(c3ccc(C#N)cc3)CC2)nnc1C(C)(C)C 1690254279 ZEGDSUDLQNPRTI-GOTSBHOMSA-N 431.584 4.722 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)N(C)C1CCCCC1 1690259530 MPICMBKMEMONNB-UHFFFAOYSA-N 447.986 4.931 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cc2ccccc2o1 1690306453 UUDSPTAGNBCCBW-UHFFFAOYSA-N 437.931 4.969 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 1690309557 DDULIUAGEMCKLI-DVECYGJZSA-N 447.583 4.837 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](COCC)C1 1690352514 GPPRASIQHXPMPL-GOSISDBHSA-N 432.996 4.770 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 1690364825 YEZGIMBGROPWPT-YFVAEKQCSA-N 430.980 4.931 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1690402783 PMWDGCOGWFFDOU-NBGIEHNGSA-N 440.588 4.712 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC)Oc2ccccc2F)CC1 1690411805 VDKYBECOFZWLRL-UXHICEINSA-N 428.552 4.571 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1690419462 SPPNJDJXIDQNTB-HXUWFJFHSA-N 425.552 4.597 30 10 IJEE C=CC[C@H](Cn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C)c1ccccc1 1690447514 QREGPSUJCAFIIG-NZQKXSOJSA-N 432.616 4.738 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690456931 NFSWSNJTQMPGPM-UHFFFAOYSA-N 429.572 4.773 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCc1ccc(Br)s1 1705496879 PDVKESODMRFIQB-CQSZACIVSA-N 447.377 4.533 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1CC1(C)CCCC1 1705591220 JQWTWVKGUAPJKZ-UHFFFAOYSA-N 431.403 4.812 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[C@@H]1CCO[C@H](C)C1 1705604141 GKSGVRWENXSFPO-CEXWTWQISA-N 430.980 4.736 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C)C1 1705708519 CZRAJFSTGHEIDD-SKPFHBQLSA-N 438.616 4.982 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705765763 ZOAYUZDCQZXINV-WOJBJXKFSA-N 443.039 4.908 30 10 IJEE C=CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](COCC)C1 1705824413 PHWARCLBPHSIGB-PMACEKPBSA-N 447.624 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1CC[C@H](OC)C(F)(F)F 1705865853 YXJKIJZSZIDXMJ-KRWDZBQOSA-N 439.507 4.505 30 10 IJEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N(Cc2cccs2)C(C)C)s1 1707847723 HCCJIJFIDLVILF-UHFFFAOYSA-N 449.609 4.696 30 10 IJEE CC[C@H](C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C(C)(C)C)s1 1708590787 FHBCRVYYKVGEML-INIZCTEOSA-N 437.617 4.886 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)C1 1710935598 DASGZSAUJSVNTE-RTBURBONSA-N 438.626 4.626 30 10 IJEE C#CCCCn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722339582 XIIRTEQTYIFVRH-AVRDEDQJSA-N 445.007 4.526 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC(F)(F)C1 1722467260 PLESHMDRAOQSLC-PNLZDCPESA-N 432.490 4.985 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(C)(C)C 1722500566 CHIIXUDBGIBKCK-REWPJTCUSA-N 426.605 4.937 30 10 IJEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1722521048 BHLAEPKAMKYGTD-UHFFFAOYSA-N 442.007 4.840 30 10 IJEE C=C(Cl)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722543543 QSEDRSZPRZOVBP-NJAPINKUSA-N 439.387 4.648 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(C)OCCc2sccc21 1722643123 DPRYTESACPBFCG-DEOSSOPVSA-N 438.597 4.646 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(C)n1Cc1c(C)sc(C)c1Br 1722675952 VHYATKOXBTZSAX-UHFFFAOYSA-N 435.391 4.904 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)c2ncc(C)s2)C1 1722716954 AHCJMFFWHDMCLN-LAUBAEHRSA-N 437.613 4.857 30 10 IJEE C=CCSCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@@H](CC)C1 1722731611 ALTCMWOZBWOXFC-PMACEKPBSA-N 430.618 4.569 30 10 IJEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCCS2)C1 1724003695 DAIXRJIMTIILBF-UWJYYQICSA-N 433.528 4.572 30 10 IJEE C[C@H]1CCc2sc(-c3nnc(N(C)[C@@H](C)CC#N)n3CC3(O)CCCCCC3)cc2C1 1726514031 IECYQTGRXPZHOW-ROUUACIJSA-N 441.645 4.955 30 10 IJEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCSC(C)(C)C2)CCCCC1 1730510608 AWBYSNYHXYKXNQ-UHFFFAOYSA-N 439.629 4.745 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(Br)o1 1740760324 IDZSBSPTUJSKAO-APWZRJJASA-N 449.393 4.909 30 10 IJEE C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](CCC)C1 1740779346 BTDYORGIRUHBKT-OAHLLOKOSA-N 439.785 4.942 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)Cc1ccc(OC)cc1OC 1740786254 WZGPGFGZESOHDQ-IFMALSPDSA-N 442.604 4.817 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cn(CCCC)nc2C)CC1 1740829524 WVYCCSHECXNFQA-UHFFFAOYSA-N 434.588 4.675 30 10 IJEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)c1ccco1 1740868255 HNBCHLYJVGNYPO-INIZCTEOSA-N 427.936 4.618 30 10 IJEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1748701417 IWVWAUULCRDCLJ-IBGZPJMESA-N 434.506 4.517 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](OCC2CC2)C1 1748706595 NJCUBPJITYIXNN-FQEVSTJZSA-N 442.991 4.806 30 10 IJEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(Cl)=C(Cl)C1 1748727326 PCQSGAMWYKVTSB-UHFFFAOYSA-N 435.355 4.569 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCC[C@@H]1C 1748882575 XPDJSUIUTCRPJA-DLBZAZTESA-N 443.364 4.746 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCn1nc(C)cc1C 1749152970 JRIJCFWKDYSCRX-UHFFFAOYSA-N 431.588 4.743 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCOC(C)(C)[C@@H]1C 1749257011 GWCGXINPKXDKCG-KRWDZBQOSA-N 442.947 4.873 30 10 IJEE C=CCC(C)(C)Cn1c(N2C[C@H](C)[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1749377076 KSBOMENMIZRGPA-UPUUWEMXSA-N 430.637 4.936 30 10 IJEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1749395093 DDWSPDKGNLWJET-UHFFFAOYSA-N 435.963 4.864 30 10 IJEE C=CCCOCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCSC[C@@H]1C 1749444949 GVMQAKXWNCELCX-DLBZAZTESA-N 437.009 4.606 30 10 IJEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749448414 ZYMHVIKXZIWKDV-NMNUPHIUSA-N 440.588 4.570 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCSC1 1749529248 AKQOZRXFGARYLE-IRLDBZIGSA-N 442.629 4.864 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC(F)(F)C1 1749590116 PDUMFJBLGKKFLE-IBGZPJMESA-N 427.499 4.527 30 10 IJEE C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CCC1CCOCC1 1749614184 VHFLDCCRMJMZSD-UHFFFAOYSA-N 439.785 4.800 30 10 IJEE C=CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCOc1ccccc1OC 1749614471 ZFJNYFRFWSEFQV-QGZVFWFLSA-N 438.597 4.841 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1760102660 OBDVIVABRUJTAH-NOXFTYBFSA-N 449.624 4.556 30 10 IJEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1F 1760129967 BTLQFLSPDYFLLO-UHFFFAOYSA-N 430.325 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCCc1nc(C)no1 1760226526 UWFZRBHPUWCNHY-UHFFFAOYSA-N 440.960 4.597 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCSC1(C)C 1760241596 DSBDPPSAIGJBRT-TZIWHRDSSA-N 442.604 4.830 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1CC1C[C@H](C)O[C@@H](C)C1 1760289695 QZLKDSZTZVGSIH-WSZYKNRRSA-N 440.563 4.753 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)cc1C(F)(F)F 1760291585 VCLLODPSQOTLSA-JOCHJYFZSA-N 444.457 4.914 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1Cc1cn(CCCCC)nc1C 1760292239 VCTBWVVTXVSGCE-AREMUKBSSA-N 446.599 4.689 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1760294719 FCAZEBUVWJOBOA-KBMIEXCESA-N 443.636 4.506 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760296308 PWGQYHBTWGMAPV-XYURVEJXSA-N 442.554 4.590 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1760327106 BZPLXTOBNHQATO-NSISKUIASA-N 434.943 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C)CCCC1 1760331154 RGUALCHLXXIDFS-UHFFFAOYSA-N 428.577 4.954 30 10 IJEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(OCC)CCCC2)CC1 1760381498 ORUGQAYTZMSBGD-UHFFFAOYSA-N 437.588 4.653 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC(C)(C)CN(C)C)CC1 1760399567 RGVQJWOMFJDUEL-UHFFFAOYSA-N 446.437 4.698 30 10 IJEE C=CC[C@H](Cn1c(C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1ccccc1 1760418736 XHXTUYHJOOARDI-FGZHOGPDSA-N 439.604 4.782 30 10 IJEE C=CC[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1cc(C)on1)c1ccccc1 1760419978 GYABTCPAQRQFGP-OAQYLSRUSA-N 428.540 4.557 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@H]1OC 1760477502 CAQZRYALWSLCTG-MZYLBHOOSA-N 440.588 4.536 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCS1 1760501111 HGWOIMFFXUNZDL-SFHVURJKSA-N 444.551 4.871 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760692270 BYOYYHOZAAMIEL-PMAPCBKXSA-N 429.012 4.705 30 10 IJEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCCCC(F)(F)C1 1764949386 DNNXDWYJVZKKOQ-UYAOXDASSA-N 429.515 4.506 30 10 IJEE N#CCCN(CC1CC1)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(Cl)s1 1771543308 AQKQMFJZWFLBPY-UHFFFAOYSA-N 445.951 4.889 30 10 IJEE N#Cc1cccc(C(=O)N2CC=C(c3ccc(OC(=O)NC4CCCCC4)cc3)CC2)c1 1860684279 CQHQRJLYEYGGIR-UHFFFAOYSA-N 429.520 4.909 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc2cc[nH]c2c1)c1ccc(F)cc1F 1862415484 YHMCFJXVYOYUHB-JOCHJYFZSA-N 445.425 4.620 30 10 IJEE CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C(O)C(=O)N2Cc2ccccn2)cc1 1862433854 MVSBVLSMFSCGMH-JOCHJYFZSA-N 447.922 4.580 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1862444454 YYBCBPOSOPIFSL-BMLIUANNSA-N 440.710 4.606 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@H]1c1ccc(F)cc1F 1862463228 DTVDNTAACLFOEW-NIVTXAMTSA-N 425.353 4.759 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1c(F)cccc1Cl 1862495536 ZWXWLTAJBKTVBY-HXUWFJFHSA-N 431.891 4.711 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cc(Cl)cc(Cl)c1 1862498409 HRUPNQWDYYBDNQ-LJQANCHMSA-N 434.319 4.835 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc(O)c1 1862524020 VOEKWAJPFRRJAG-GOSISDBHSA-N 430.298 4.533 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2cc[nH]c2c1 1862560047 CMWIPLQQMZHVSL-LDLFBNOTSA-N 429.520 4.907 30 10 IJEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)c(Cl)c3)=C(O)C(=O)N2C(C)C)cc1 1862586645 YOVQUZUAHHDJHK-SFHVURJKSA-N 448.302 4.767 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1Br 1862600109 PJMCHJPVXGKCKH-LJQANCHMSA-N 444.325 4.923 30 10 IJEE Cc1cccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862676861 SRADOTCWFFYYFR-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE CC[C@@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 1862681271 WNNDUISMWLLXGS-KZULUSFZSA-N 432.289 4.965 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 1862687001 DWPNUFBQAQUVTK-XMMPIXPASA-N 445.490 4.964 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCC(C)C)[C@H]2c2ccc3c(c2)CCCN3C)c1 1862707794 DVVBAMDLAVZVGB-DEOSSOPVSA-N 448.563 4.702 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 1862738748 ITQQKXBSCGOETO-JOCHJYFZSA-N 445.475 4.987 30 10 IJEE CCCCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2CC(C)C)[C@H]1c1ccco1 1864458673 TYCYAUYAVVZTBL-HXUWFJFHSA-N 428.577 4.612 30 10 IJEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870682667 BBCONFJTROWOHY-SZPZYZBQSA-N 447.664 4.592 30 10 IJEE Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1cccnc1)O2 1871383309 DYYWSTNRIIBXKQ-UWVJOHFNSA-N 436.807 4.787 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1871767515 CESIWFYWUHVDDR-XMMPIXPASA-N 434.561 4.860 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(C)c(F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1872056023 RDWYISIBDQIUIH-CYBMUJFWSA-N 445.343 4.645 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872085994 IETRUDAACKNJDB-VGOFRKELSA-N 432.561 4.673 30 10 IJEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1cc(C)ccc1C 1872489580 UQMYHACMVULDQV-GOSISDBHSA-N 434.989 4.859 30 10 IJEE COc1ccccc1-c1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872762980 BIYZBOKEWPMPSI-XKGZKEIXSA-N 445.544 4.605 30 10 IJEE C=CCN1C(=O)C(NC2CCCCC2)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1873133157 KEONTZBZAVRWLU-UHFFFAOYSA-N 446.391 4.912 30 10 IJEE Cc1ccc(-n2ncc(N/N=C/c3ccc(OC(C)C)cc3)c(Br)c2=O)cc1 1873526158 QFYXVGCUFVHSPP-FSJBWODESA-N 441.329 4.537 30 10 IJEE N#Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 1873868858 UMOPONIOKNUWJH-DEOSSOPVSA-N 438.487 4.516 30 10 IJEE CCCSc1nnc(CCc2ccccc2Cl)n1/N=C/c1ccc(OC)c(O)c1 1874279991 YEZUMGSILKIZNU-OEAKJJBVSA-N 430.961 4.815 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2ccc(C)c(C)c2)n1/N=C/c1ccccc1 1874332855 ZRCCULUCDPYLDF-PCLIKHOPSA-N 436.581 4.608 30 10 IJEE COc1ccc(Cc2nnc(SCCc3ccccc3)n2/N=C/c2ccc(O)cc2)cc1 1874349544 ROCFUVBFTGCGHX-NLRVBDNBSA-N 444.560 4.800 30 10 IJEE Cc1ccccc1CCc1nnc(SCCO)n1/N=C/c1ccc(Cl)cc1Cl 1874365265 UBAFRGYRGNDCOO-YDZHTSKRSA-N 435.380 4.645 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(CC(C)(C)C)n1/N=C/c1ccc(F)cc1 1874437530 GHBGLNXCXPWODG-AFUMVMLFSA-N 439.560 4.927 30 10 IJEE CC(C)(C)c1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccc(Cl)c1 1874480957 JDNBLQLKPUMDKG-YDZHTSKRSA-N 427.961 4.842 30 10 IJEE CC(C)COC(=O)CSc1nnc(C(C)C)n1/N=C/c1c(Cl)cccc1Cl 1874515603 HKFLMBKKZJWKFQ-ODCIPOBUSA-N 429.373 4.882 30 10 IJEE CCOc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)c2)cc1 1874706771 YKVQTFKMYHHLBF-XYOKQWHBSA-N 444.483 4.901 30 10 IJEE CCCCC(=O)Oc1c(OC)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC 1875098574 KJHVUNWVCKWAMK-PKNBQFBNSA-N 428.481 4.713 30 10 IJEE O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889403367 CIOVVYQWKLPWEX-GFCCVEGCSA-N 436.331 4.659 30 10 IJEE C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCc3nc4ncc(-c5cccnc5)cc4cc3C2)c1 1890760284 KSNLJPJSWKXXFG-XDHUDOTRSA-N 433.515 4.606 30 10 IJEE C#CC[C@@H](C)CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892911397 FGOZDIBYSXPHDL-HXOBKFHXSA-N 437.561 4.761 30 10 IJEE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C#N)c(F)c1 1901484212 WZONVVYJXMLUCI-DEOSSOPVSA-N 443.478 4.953 30 10 IJEE CC(C)[C@H]1C[C@](C#N)(N(CC(F)(F)F)C(=O)OC(C)(C)C)CN1Cc1ccccc1 1937129525 FNRALHSFONIBQV-WIYYLYMNSA-N 425.495 4.979 30 10 IJEE CC(C)(C)OC(=O)N1C[C@](C#N)(N(CCN=[N+]=[N-])C(=O)OC(C)(C)C)CC12CCCC2 1949588447 CAUQAPRHICPAEI-NRFANRHFSA-N 434.541 4.750 30 10 IJEE C=C(COC(C)C)[C@H](NCC)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2041912973 YVZMOINIJHCMLW-OZXSUGGESA-N 446.632 4.790 30 10 IJEE COc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C#N)c2I)cc1C 2080000661 XVGHBSPLHJFMFW-KRWDZBQOSA-N 449.336 4.973 30 10 IJEE CCCc1ccc([C@@H](C2CCC2)n2nc(C)c(C=NO)c2I)cc1 2080005933 NVCTUKBXCGGLQK-GOSISDBHSA-N 437.325 4.946 30 10 IJEE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)F)c(C#N)c1I 2080054578 RWCHMWKAPKRDGW-LBPRGKRZSA-N 431.224 4.619 30 10 IJEE CCCOc1ccc([C@@H](C)n2nc(C(F)F)c(C#N)c2I)cc1 2080079271 FJNRZQWLMOWNKX-SNVBAGLBSA-N 431.224 4.695 30 10 IJEE C=CCN(CC[C@@H](NCCC)c1nc(CC)[nH]c1Br)C(=O)OC(C)(C)C 2099292281 HKAJELJEIHLYAJ-CQSZACIVSA-N 429.403 4.589 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)c1c(Br)cnn1C(C)C 2145528918 NQUBJHCPYUMUHL-IRXDYDNUSA-N 441.414 4.574 30 10 IJEE CC(C)(C)OC(=O)NCC1(CC(=O)Nc2cc(Br)ccc2C#N)CCCC1 2181105202 IQIHEAHWBJMLSN-UHFFFAOYSA-N 436.350 4.734 30 10 IJEE C#CC[C@H](C[C@@H](N)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C1CC1 2196840707 LBPJCIUVTAOOPG-MISYRCLQSA-N 435.406 4.652 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(c3cc(Br)cc(F)c3C#N)C[C@H]2C1 2206330226 NYSKSZMTAMMKPA-UMVBOHGHSA-N 438.341 4.589 30 10 IJEE C#CC[C@@H](C[C@@H](N)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C)C1CC1 2237404560 IDHCZAYONLUGCU-SXLOBPIMSA-N 435.406 4.652 30 10 IJEE CCN[C@@H](C#Cc1ccc(Br)cc1)[C@H](CC1CCC1)NC(=O)OC(C)(C)C 2296300941 OSIAGDOPCMOPHR-PMACEKPBSA-N 435.406 4.862 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CC[C@H](C)N1C(=O)OC(C)(C)C 2296311086 RTDDHQPEIFQWTG-PWIZWCRZSA-N 435.406 4.957 30 10 IJEE COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccccc2)C4=O)cc1OC 2297596158 UAXMNWLHNZMJJV-SFHVURJKSA-N 428.440 4.761 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2306618235 QEVOCTQCJOKYBC-UHFFFAOYSA-N 428.573 4.699 30 10 IJEE COc1ccccc1C=NN=C1SC(=Cc2ccccc2F)C(=O)N1Cc1ccco1 2314819307 XVVAIOGFRRUUQI-UHFFFAOYSA-N 435.480 4.934 30 10 IJEE Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1N=Cc1cccc2[nH]ccc12 2321862726 FWYRWHBDIVJFTO-UHFFFAOYSA-N 446.580 4.978 30 10 IJEE CCN(CC)CCCN1COc2ccc3c(c2C1)OC(=Cc1ccccc1Cl)C3=O 2322115038 WEVMPTYAKPTXSD-UHFFFAOYSA-N 426.944 4.840 30 10 IJEE CCOc1c(C=Nn2c(S)nnc2CCCOc2ccc(Cl)cc2)cccc1OC 2322238520 MDCSBTLWBRNYBB-UHFFFAOYSA-N 446.960 4.521 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1ccc(F)cc1)C3=O)CN(Cc1nc3ccccc3[nH]1)CO2 2322415552 JIVWLCLTYPLIQQ-UHFFFAOYSA-N 441.462 4.979 30 10 IJEE Cc1c(OC(=O)N2CCOCC2)ccc2c1OC(=Cc1ccc(Cl)cc1Cl)C2=O 2322833273 PMMTYYNAOSMVRZ-UHFFFAOYSA-N 434.275 4.749 30 10 IJEE C#CCN(Cc1ccccc1)[C@]1(C(=O)O)CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 2322936792 URSQWOQRWKUIRH-XLGIIRLISA-N 440.584 4.535 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4ccc(C=CC(=O)O)cc4)ccc3C2=O)c1 2323603483 JRLTWIBEJGWKEX-UHFFFAOYSA-N 442.423 4.628 30 10 IJEE COc1ccc(C=C(C(=O)N=C2NN=C(c3ccccc3)CS2)c2ccccc2)cc1 2325346246 CUCHEXSWUNEFFH-UHFFFAOYSA-N 427.529 4.859 30 10 IJEE O=C(COc1ccc2c(c1)OC(=Cc1ccccc1F)C2=O)NCc1ccccc1Cl 2325632535 ACPMLJHJLONMGU-UHFFFAOYSA-N 437.854 4.791 30 10 IJEE COc1cc(C=CC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)ccc1OCc1ccccc1 2325652822 VGBNFYVZXRUMNQ-UHFFFAOYSA-N 446.459 4.712 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)Cc3ccccc3OC)c2)cc1 2325718125 DQODMNRSZUDTAA-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CSc1nnc(COc2ccccc2Cl)n1N=Cc1cccc(Br)c1 2327601290 HZHSDJZCVLARPJ-UHFFFAOYSA-N 437.750 4.877 30 10 IJEE CCCOc1ccccc1C=Nn1c(SCCC)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 2327884499 TZHXVJGADDBVSJ-SFHVURJKSA-N 443.617 4.566 30 10 IJEE C=C(C)CSc1nnc(COc2ccccc2OC)n1N=Cc1cn(C)c2ccccc12 2328264133 LBHSHUADPSMIBN-UHFFFAOYSA-N 447.564 4.908 30 10 IJEE C=C(C)CSc1nnc(COc2cccc(C)c2C)n1N=Cc1ccc(O)c(OC)c1 2328846779 VGVUUVDUBSXYQN-UHFFFAOYSA-N 438.553 4.739 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccncc2)cc1C 2330535985 JKOJTJYSQOSWPD-UHFFFAOYSA-N 448.577 4.631 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(CC(C)(C)C)n2N=Cc2cccc(O)c2)o1 2330839670 LMWRPDXOKAUSNL-UHFFFAOYSA-N 442.541 4.517 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1N=Cc1ccc(Cl)cc1)Nc1nccs1 2331059441 BETWNOGXCMVIPJ-UHFFFAOYSA-N 446.989 4.659 30 10 IJEE COCCc1nnc(SCc2cccc3ccccc23)n1N=Cc1ccccc1[N+](=O)[O-] 2331300630 YAVFSEDIZYSBAT-UHFFFAOYSA-N 447.520 4.703 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1cccc(F)c1 2331344417 LFEPBTYSNRUIEH-UHFFFAOYSA-N 436.516 4.583 30 10 IJEE COCc1nnc(SCc2cccc(C)c2)n1N=Cc1ccc(Br)cc1 2331560573 XZSJGLFSKIQPQR-UHFFFAOYSA-N 431.359 4.670 30 10 IJEE N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1NC(=O)C=Cc1ccc(Cl)cc1 2332148616 XSXIRRQTDFKKHK-UHFFFAOYSA-N 432.698 4.810 30 10 IJEE CC[C@@H](N[C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338524888 WNORHKJQOVBYLV-GHTZIAJQSA-N 446.441 4.672 30 10 IJEE CC1(C)OB(c2cc(Cl)cnc2Oc2ccc(Br)cc2F)OC1(C)C 2339443143 JGJMJEFWPJQHOC-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339582498 QXFVVGPUFMIVTB-HKUYNNGSSA-N 444.381 4.751 30 10 IJEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)Nc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 2339588149 DPKPSQVKPHSMDF-FMQWLBJXSA-N 443.397 4.784 30 10 IJEE C[C@@H]1[C@@H](Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CCCN1C(=O)OC(C)(C)C 2339603210 WOGJTJVPZYOBDR-MJGOQNOKSA-N 444.381 4.893 30 10 IJEE Cc1cc(CN[C@H]2C[C@H](OCc3ccccc3)C2(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2343652822 IPXVNSJXNISSII-ZEQRLZLVSA-N 435.417 4.768 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)[C@@H]1C[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 2358672471 YFQRRZCTQMBVDR-QEEHTWDDSA-N 435.406 4.718 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N(C)[C@H](C)c2cc(Br)cs2)n1 2362160705 WQOFPVISBZVLKN-CYBMUJFWSA-N 437.212 4.711 30 10 IJEE C=CCCC1(C(=O)Nc2ccc(OC)c(Br)c2)CN(C(=O)OC(C)(C)C)C1 2365284784 LCOPSBUACHOFLE-UHFFFAOYSA-N 439.350 4.600 30 10 IJEE CC1(C)OB(c2ccc(CO[C@H]3CCCCC3(F)F)cc2Br)OC1(C)C 2377305989 FZVLDDXNCZZRFQ-INIZCTEOSA-N 431.126 4.843 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC 15527819 WNVHSNANWJVQBB-PKNBQFBNSA-N 449.334 4.677 30 10 IJEE COc1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 18145530 DHCDJWIQFGTAMI-QHCPKHFHSA-N 431.536 4.641 30 10 IJEE COc1ccc(/C=C2/Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1 33378350 CUTHBVZLMDAFNG-FSJBWODESA-N 432.428 4.548 30 10 IJEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1)C/C2=N\OC(=O)c1ccc([N+](=O)[O-])cc1 33960486 ANKHYDOKWNDVEA-XJHCDOBBSA-N 435.480 4.963 30 10 IJEE C=CCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(OC)c2)c1 37600727 JCDZHIWRWAJTGY-UHFFFAOYSA-N 432.495 4.526 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 62896673 CWIKCHZWUAJVNN-UHFFFAOYSA-N 427.407 4.675 30 10 IJEE CC1(C)Cc2cccc(OCC#CCNC(=O)C(c3ccccc3)c3ccccc3)c2O1 90733330 IXLIYASPFHNJHL-UHFFFAOYSA-N 425.528 4.731 30 10 IJEE Cc1ccc(COc2ccccc2/C=N/NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1 169906226 XVNKRGIOPCOASJ-PCLIKHOPSA-N 438.549 4.674 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 169955146 ODOILZZFFSLOMM-QHCPKHFHSA-N 430.504 4.687 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2cccs2)cc1 169989589 VNEJCYDVRAZQMA-NRFANRHFSA-N 437.492 4.717 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4[nH]3)[C@H]2c2ccccc2F)cc1 170072826 MIIBFXXTAFXSTO-NRFANRHFSA-N 427.435 4.793 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccs2)[C@H]1c1ccc(O)cc1)c1cccc(Cl)c1 170130294 RRIZRDHJCHDYBB-IBGZPJMESA-N 425.893 4.886 30 10 IJEE Cc1sc(C2=C(N)N(c3cccc(Br)c3)CC2=O)nc1-c1ccccc1 170181271 ZNXVLYGTVKJIGP-UHFFFAOYSA-N 426.339 4.598 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2cc(OC)c(Cl)cc2OC)[C@H]1c1ccccc1 170232347 STGNFOBCJIVOBF-HXUWFJFHSA-N 429.900 4.736 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1F 170251923 WCAUGACBOGBGIY-GOSISDBHSA-N 438.282 4.747 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccccc1F 170251984 NFLDYBRLZMOHTP-QFIPXVFZSA-N 441.499 4.536 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3cc(Cl)ccc3OC)[C@H]2c2ccco2)cc1 170284490 KKPDWUANYKXYGW-HXUWFJFHSA-N 439.851 4.733 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C(C)(C)C)c2)[C@H]1c1sccc1C 170312819 UEOCFOSNOHTTPT-IBGZPJMESA-N 443.565 4.587 30 10 IJEE CCc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1 170393159 MPSILRNNXWFRQO-JOCHJYFZSA-N 430.460 4.583 30 10 IJEE O=S(=O)(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccc2ccccc2c1 254600112 CMZRKMXEUUOAHZ-UHFFFAOYSA-N 434.492 4.870 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(O)c(C)c(-c2ccccc2)n1 467200514 FZSMNQYZEXAFLB-QGZVFWFLSA-N 448.548 4.594 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cccc2ncccc12 504006037 KNWNGNCPDMFSJM-UHFFFAOYSA-N 435.318 4.513 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](COCc2ccccc2)C1 508904382 TXIQGPIYWSKUFD-HVCNVCAESA-N 444.579 4.752 30 10 IJEE C=CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 508908195 RFIJBDFDVXGIHA-QZTJIDSGSA-N 440.979 4.602 30 10 IJEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 508934886 LKIDRWRUBHSBCW-MRXNPFEDSA-N 449.521 4.529 30 10 IJEE COc1cccc([C@@H]2C(c3cc(OC)ccc3OC)=C(O)C(=O)N2c2ccc(C#N)cc2)c1 526489133 GDIQLJFMWCOEEQ-XMMPIXPASA-N 442.471 4.641 30 10 IJEE COc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2C#N)c(OC)c1 526608592 KTDGAYUWGFPREU-XMMPIXPASA-N 426.472 4.941 30 10 IJEE CCc1nnc(SCc2ccc(C#N)cc2)n1/N=C\c1ccc(OC(C)C)c(OC)c1 526822886 NTBXPAMGNSHLKS-QFEZKATASA-N 435.553 4.682 30 10 IJEE Oc1ccc(/C=N\n2c(CCc3ccccc3)nnc2SCc2cccc(F)c2)cc1O 526826046 RQGCXZARXGGLFM-YSMPRRRNSA-N 448.523 4.788 30 10 IJEE C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 558983180 SDDYJOJDCCYUHC-XMMPIXPASA-N 448.567 4.637 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCCO1 569556699 VJLWBQLVFVSNMJ-OAQYLSRUSA-N 440.551 4.514 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(C(=O)Nc3cc(C)ccn3)CC2)c1 585859179 IBWZDNKSHVBXJQ-UHFFFAOYSA-N 435.572 4.654 30 10 IJEE C=C(C)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 586232147 RGZYXTMCZGQTIM-UHFFFAOYSA-N 440.359 4.546 30 10 IJEE COc1ccc(N(C(=O)c2cccc(C#N)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 586291515 AXUDPDKXLLMAKN-UHFFFAOYSA-N 448.544 4.900 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669810417 CJOUYCQBEVJNEO-AZUAARDMSA-N 440.979 4.912 30 10 IJEE C=CCn1c(SCC(=O)NC(C)(C)C(F)F)nnc1-c1ccc(Cl)cc1Cl 684343128 FXPLWVMOBUEOOQ-UHFFFAOYSA-N 435.327 4.690 30 10 IJEE C#CCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cc(Br)cc(Br)c1 698836842 DRZBKMDIZYFFPQ-CQSZACIVSA-N 428.124 4.647 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN(C)CC1CCN(Cc2ccccc2)CC1 719943952 XGMPVWWJHZWUFJ-UHFFFAOYSA-N 448.460 4.638 30 10 IJEE Cc1ccc([C@@H](C#N)C(=O)c2ccc(I)c(Br)c2)cc1 721300872 DLELIIKXSKMWDT-CYBMUJFWSA-N 440.078 4.852 30 10 IJEE N#CCOc1ccc(CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)cc1 727826248 JTLYWESCBLDHHB-UHFFFAOYSA-N 425.279 4.613 30 10 IJEE CN1CCC(N(Cc2ccco2)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 740482894 HVZPWALKQFTZFS-UHFFFAOYSA-N 434.565 4.686 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C 744028876 NMLVOIDSGQCTKK-HXUWFJFHSA-N 434.927 4.920 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3ccc(OC4CCC4)c(F)c3)c2)s1 748980583 HKONCUJAFNPUID-UHFFFAOYSA-N 449.507 4.612 30 10 IJEE C#CC[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1)c1ccccc1 757762340 OMVXIHIFNIMPJT-FKBYEOEOSA-N 425.573 4.572 30 10 IJEE N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F 764060521 XCQVKIYNYWWNGV-OVCLIPMQSA-N 443.208 4.993 30 10 IJEE C=CC[C@]1(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CCCN1C(=O)OC(C)(C)C 790522690 CLJUWVXMVHBCBG-NTKDMRAZSA-N 440.544 4.699 30 10 IJEE CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C(=O)N1CC 1083931804 BUKOSPUUZXANBJ-DLRGDFKQSA-N 431.945 4.758 30 10 IJEE C[C@H](NC(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 1124841123 FAUURPUUMHVPCQ-ZDUSSCGKSA-N 432.833 4.966 30 10 IJEE N#C[C@H]1CN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CCN1Cc1ccccc1 1126036163 BDUIYOGZIWMKLN-ZCYQVOJMSA-N 445.563 4.896 30 10 IJEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)Nc1c(C)c(C#N)nn1-c1ccccc1 1129282268 VMAQOGAWFSOUCZ-OWBHPGMISA-N 426.398 4.993 30 10 IJEE C#CCN(C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C)[C@@H]1CCCc2ccccc21 1134092821 ILKHIYSKPDQMFJ-GOSISDBHSA-N 425.554 4.952 30 10 IJEE C=CC1(CC(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1137719082 SRSWQFSJBKSIQR-FGZHOGPDSA-N 442.600 4.695 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)NC2(CC(=O)OC(C)(C)C)CCCCC2)cc1OC 1141853759 ZTDZAUVJWVVMDR-ACCUITESSA-N 429.557 4.824 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 1142813489 DSVCPWNIDPQOSU-RYQLBKOJSA-N 426.479 4.927 30 10 IJEE C=CCC[C@@H](NC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1)c1ccccc1 1151695352 VNURVYVFWSWIMI-JOCHJYFZSA-N 427.976 4.521 30 10 IJEE C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1161251489 ZIUYNKJCYPXEIK-GOSISDBHSA-N 448.972 4.720 30 10 IJEE C=CCOc1c(Br)cc(CNc2cccc([C@@H]3CCC(=O)N3)c2)cc1OCC 1178962879 UWXGDDHTGRSUHW-IBGZPJMESA-N 445.357 4.976 30 10 IJEE C=CCOc1c(Br)cc(CNc2ccc(C(N)=O)cc2OC(C)C)cc1OC 1178987126 YWDPUINELXEUJL-UHFFFAOYSA-N 449.345 4.521 30 10 IJEE C=C(CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(Cl)cc1)C(=O)OCC 1187981068 ODAUUJSWTQCQQG-UHFFFAOYSA-N 434.970 4.929 30 10 IJEE C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(C)cc1Br 1195651939 IQNGNUSWPXTEFR-GFCCVEGCSA-N 437.197 4.639 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc2c(Br)ccnc12 1218077611 UUITYYOTXKNOBI-UHFFFAOYSA-N 430.302 4.693 30 10 IJEE C#C[C@@H](CCC)NC(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1252468255 KMCACSYODZDJJW-KRWDZBQOSA-N 432.421 4.760 30 10 IJEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(Br)cncc2s1 1264834877 WPBYAKMZDPDTOW-UHFFFAOYSA-N 437.322 4.808 30 10 IJEE C#CCCCn1c(N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)nnc1C(C)(C)C 1286359390 CYNWBQHENXVPSM-UHFFFAOYSA-N 432.515 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1cc(C)on1 1286555334 XOIYDSLLRQFYDN-PUHATCMVSA-N 435.572 4.734 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCOc1ncccc1F 1286569563 UYYKOVQCOUEILW-UHFFFAOYSA-N 445.926 4.623 30 10 IJEE C=C(C)COCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1 1286614534 VAZNDWSEUUNBGV-KRWDZBQOSA-N 439.050 4.758 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2CCN(CCC)C(=O)OC(C)(C)C)CC1 1286649677 VWFNAXMMYQSCOH-UHFFFAOYSA-N 445.633 4.734 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCCC[C@@H]2C)CC1 1286664252 SZEDWOCPIKWNFP-FQEVSTJZSA-N 441.595 4.663 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCc1nc(C)c(C)s1 1286720296 RBXVOBHCQIJTMV-UHFFFAOYSA-N 441.601 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN(C)[C@@H]1c1cccs1 1286721285 WHVAQPBUHXITQQ-GCJKJVERSA-N 437.613 4.721 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@H]1C(C)C 1286743726 PWNYQSLLKPQJLN-ZEQRLZLVSA-N 431.584 4.984 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@H]1OC 1286748053 SFLHAXIUUWOHKB-FCEUIQTBSA-N 428.552 4.667 30 10 IJEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cccs1 1295553142 BUKVSOSSBKZLLH-NQIIRXRSSA-N 434.613 4.950 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(F)(F)F)cc1C 1300609595 SFUBXGLWBOITEB-UHFFFAOYSA-N 433.865 4.829 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H](C)c1ncc(C)s1 1300644525 YWZPJTHWPWBUEG-MRXNPFEDSA-N 441.626 4.607 30 10 IJEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@]2(CC=CCC2)C1 1300769448 GZJHLFWGDAZFHR-RUZDIDTESA-N 436.625 4.859 30 10 IJEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCSC2(CCCCC2)C1 1300843938 ICAZZQGHAVHOTQ-UHFFFAOYSA-N 448.434 4.813 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H]1CC 1300905777 VSUIUSXZIAOBIM-ICSRJNTNSA-N 430.618 4.577 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](CCOC)C1 1301024026 KYDCUCIFQQLWRC-OAHLLOKOSA-N 439.785 4.631 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C2CC2)N(C)C)CC1 1301066209 PDZVTXUSBZXTLY-LAUBAEHRSA-N 429.996 4.568 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)CC1 1301119742 UVWBEDVRWBJEEU-OAQYLSRUSA-N 432.597 4.584 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCSC1 1301136715 AQSZNRQFASXIHO-LJQANCHMSA-N 427.618 4.691 30 10 IJEE C=CCCCn1c(N2CCC[C@@H]2c2ccc(CC)o2)nnc1[C@]1(OC(C)C)CCOC1 1301234365 JFTFTWWMTZZUGY-YKSBVNFPSA-N 428.577 4.782 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301350281 VCLCJEIEDDGOEE-CPJSRVTESA-N 442.579 4.636 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cccc(Cl)c2)n1CCOc1ncccc1Cl 1301374608 CMBNGOACJKAEJV-UHFFFAOYSA-N 430.339 4.904 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C3CCCCC3)cc2)cc1 1310131031 JYERMHCEGAHUSF-UHFFFAOYSA-N 441.597 4.863 30 10 IJEE C#CC[C@H](COC)NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 1313098539 VXXRYLOJKPTZBP-WOJBJXKFSA-N 449.776 4.872 30 10 IJEE C=CCn1c(-c2ccc(C)cc2)nn(CN2CCCN(c3ccccc3OC)CC2)c1=S 1336705550 LDQBGFPFKOFYAF-UHFFFAOYSA-N 449.624 4.754 30 10 IJEE C=CCCOCC(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C 1348959612 YXNUVRYDEVMGNW-HXUWFJFHSA-N 425.510 4.800 30 10 IJEE C=CC1(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CCCCC1 1351075896 NDZZGENXVHMZMS-NJNXFGOHSA-N 431.602 4.745 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 1351081284 XCSYXUFMCDBWKY-LBPRGKRZSA-N 439.291 4.890 30 10 IJEE C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2sc(-c3ccn(C)n3)nc2C)c1 1358006757 FSWMMDRKZYZFBE-UHFFFAOYSA-N 432.574 4.671 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCOC1CCCCCC1 1358874767 CPCLZPAFFMQREC-QGZVFWFLSA-N 445.405 4.905 30 10 IJEE C#CCCCCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)nnc1C(C)(C)C 1358917079 GNYXJWNFLROJKL-MOPGFXCFSA-N 431.625 4.509 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC2(CCCCC2)O1 1359004388 UUQXJIQNJYHAPI-LJQANCHMSA-N 442.991 4.949 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1conc1COC 1359108960 JYCYUJPWSHRCLA-MRXNPFEDSA-N 441.601 4.717 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1359161111 PVPMJTSIVZNWEP-ICSRJNTNSA-N 430.499 4.684 30 10 IJEE C=CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccncc2Cl)CC1 1359181812 ITLOVAXBUXAQAA-UYAOXDASSA-N 429.996 4.696 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359184877 DJFVJJFGYHUMMH-UHFFFAOYSA-N 448.546 4.786 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359191869 OFOZMWYGSKRTIF-QUCCMNQESA-N 444.023 4.786 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)c1ncc(C)s1 1359234548 SBJAJIRQNLXAQF-NSHDSACASA-N 438.420 4.960 30 10 IJEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccnc(OC2CCCC2)c1 1359533644 FUBHZHHJTUVOAM-VWLOTQADSA-N 436.604 4.761 30 10 IJEE N#Cc1ccc(OCC(=O)NC2(c3c(Cl)cccc3Cl)CC2)cc1Br 1435522502 AEBBYRQEBJOFLK-UHFFFAOYSA-N 440.124 4.812 30 10 IJEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)[C@@H](c2ccccc2Cl)C1 1436028124 DAJJAAXYIPEFJO-OAQYLSRUSA-N 439.943 4.575 30 10 IJEE CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cccc(CC#N)c2)cc1 1436284131 AOHJDOPRMHNENK-UHFFFAOYSA-N 436.558 4.950 30 10 IJEE C#C[C@H](NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccc(Cl)cc1F 1436652016 FLLPVZOUISOFPZ-FQEVSTJZSA-N 438.915 4.746 30 10 IJEE C#C[C@H](NC(=O)[C@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC)c1ccc(Cl)cc1F 1436654309 ZIEHTULOODFBMF-GBESFXJTSA-N 432.879 4.533 30 10 IJEE C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3nc(C)c[nH]3)cc2)nnc1-c1ccco1 1452568864 XEVXVDALGUTQNJ-UHFFFAOYSA-N 434.525 4.544 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 1458780111 YXHQVKIDSGHPAJ-GOSISDBHSA-N 429.929 4.800 30 10 IJEE C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCCN(c2ccccc2C#N)CC1 1459434037 AGZCKLNKSVLVAQ-NRFANRHFSA-N 440.547 4.890 30 10 IJEE C#CCOc1ccc(CN[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)cc1 1461810822 JNHQZDWPPDXEMB-YIXXDRMTSA-N 448.563 4.692 30 10 IJEE Cc1ccc(CCC2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)cc1 1462775828 HJSLHHDKWCLWQQ-UHFFFAOYSA-N 447.398 4.663 30 10 IJEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)/C=C\c1ccc(C)cc1 1463114377 SQJUTZVZGGVNTJ-ACQXMXPUSA-N 446.366 4.517 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 1465455513 BBBLCBLKBDBOET-BHIFYINESA-N 430.589 4.829 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 1467932467 MPPHEFVMKDVOED-GOSISDBHSA-N 440.540 4.606 30 10 IJEE C=CCn1c(SCC(=O)Nc2cc(CCC(C)C)[nH]n2)nnc1-c1ccc(Cl)cc1 1469465845 QSEJCTZQLOMOGY-UHFFFAOYSA-N 444.992 4.827 30 10 IJEE C=CCOc1ccc(C(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)cc1OC 1470595246 VEMPPDVOPNFCBP-UHFFFAOYSA-N 428.941 4.891 30 10 IJEE C#CCN(C(=O)Cc1csc2cc(C)sc12)C1CCN(C(=O)OC(C)(C)C)CC1 1471881782 QJJBVQIGJDJAPA-UHFFFAOYSA-N 432.611 4.675 30 10 IJEE C#CCN(C(=O)c1coc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)[C@H]1CCCc2ccccc21 1472070376 AFXXOKFYWDVCLA-VXKWHMMOSA-N 449.551 4.900 30 10 IJEE CCc1ccc(OCc2nnc(Sc3cncc(C#N)n3)n2[C@@H](C)c2ccccc2)cc1 1472647286 CTYZQVDGJIGSGI-KRWDZBQOSA-N 442.548 4.842 30 10 IJEE COC(=O)[C@@](C)(NCc1ccc(Br)cc1C#N)c1ccc(Cl)c(Cl)c1 1473398009 BSDJCGUYTKGGLN-SFHVURJKSA-N 442.140 4.806 30 10 IJEE C=CCC1(NCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)CCCCC1 1473719481 JMTDKXJYOBENFC-UHFFFAOYSA-N 444.645 4.599 30 10 IJEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2F)ccc1C(F)(F)F 1474984487 AAFNFVHYGYTLBV-OAQYLSRUSA-N 448.441 4.978 30 10 IJEE CCCN(c1ccc(CC)cc1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1475311305 CGSFLUJQROIGAR-UHFFFAOYSA-N 425.323 4.628 30 10 IJEE C=CCCC(C)(C)CNS(=O)(=O)c1scc(Br)c1Br 1475562344 ZYCUMAXVEWSYLP-UHFFFAOYSA-N 431.215 4.544 30 10 IJEE N#Cc1ccc(S(=O)(=O)NCc2ccccc2SC(F)(F)F)c(C(F)(F)F)c1 1475766094 BECNMSMZDZKTRL-UHFFFAOYSA-N 440.390 4.667 30 10 IJEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@H]2[C@@H](O)c2ccccc2)n1 1476324281 CXJDFIPXBSPGHJ-UNMCSNQZSA-N 435.915 4.517 30 10 IJEE C=C(C)[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1)c1ccc(F)c(F)c1 1478471557 ADCFGSCNFCMNHA-NVVBAYIOSA-N 435.515 4.671 30 10 IJEE CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)on1 1496674032 FOTQKSFWCAKPTO-UHFFFAOYSA-N 447.587 4.540 30 10 IJEE CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCC[C@H]2C)cc1OC 1502801226 AXAOCPAZGTUVME-NQIIRXRSSA-N 437.588 4.919 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCN(CC(C)C)C1 1507548077 QZCOGPHSVSWFKC-FGZHOGPDSA-N 439.673 4.705 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1507555611 CHNNIAQOJZGWTN-RTBURBONSA-N 427.980 4.581 30 10 IJEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1507566757 LZJLNYLGNGBPPH-FQEVSTJZSA-N 434.506 4.529 30 10 IJEE C#CCCCn1c(CCCc2ccccc2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1507594496 QCZJCGGLULCTKN-NFBKMPQASA-N 434.609 4.895 30 10 IJEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1ccco1)N(CC)CC 1507688028 YHLSOVMKJMFLFW-QFIPXVFZSA-N 430.556 4.562 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](C)N(CC)CC 1507764580 RBTOXDFRAOERDX-KBMIEXCESA-N 439.673 4.998 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1Cc1ccc(OC(C)C)nc1 1507771056 SZSQGDMGBBWSPJ-HHHXNRCGSA-N 443.595 4.676 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1507814202 LVJSGPAFBYVBPW-HSZRJFAPSA-N 449.599 4.540 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnc(C)s1 1507823957 QIOYFDOQMGCPIL-SFHVURJKSA-N 446.621 4.566 30 10 IJEE C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 1507827299 FXKUXZZTWMTCRF-INIZCTEOSA-N 426.590 4.917 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 1507880907 NUMFDTISSIEPJA-FQEVSTJZSA-N 425.964 4.959 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)CN2CCCC2)CC1 1507895598 ASMRHGAVEUGTAV-UXHICEINSA-N 441.595 4.692 30 10 IJEE C=CCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)Cc1nccs1 1507944054 LWXKDFQMSKTHNS-UHFFFAOYSA-N 436.354 4.906 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@@H](C)c1cccc(C)c1 1508025868 DDJJEEAXXIYJLV-HXUWFJFHSA-N 428.540 4.675 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCSC1(C)C 1508032822 IDUYCVJPHUZBJD-RTBURBONSA-N 430.618 4.532 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccsc2)C1 1508115907 PNZIJRHNZWINAI-UZLBHIALSA-N 444.988 4.963 30 10 IJEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CC(C)(C)O1 1510338864 BRCQXXYUDNUZEU-UHFFFAOYSA-N 437.588 4.703 30 10 IJEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1CC(OC(C)(C)C)C1 1511245606 DMVVYNWVEJDRGR-MORLXBONSA-N 425.552 4.679 30 10 IJEE C#CCSc1ccc(COC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 1516459269 SHOMBCBPWHZEMX-OAQYLSRUSA-N 425.550 4.796 30 10 IJEE CSC1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)CC1 1520023871 BNTAIHBZEZRPHP-CYBMUJFWSA-N 440.400 4.655 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 1520196998 WTCVYOIBPDFDMC-UHFFFAOYSA-N 442.515 4.644 30 10 IJEE C=CCCOCCNC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1521091417 HLYXUOOMIOVUMF-UHFFFAOYSA-N 429.523 4.678 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1nn(C)c(C)c1Cl)c1ccc2c(c1)OCO2 1523443888 VURCVNMCFDTTIB-UHFFFAOYSA-N 439.899 4.522 30 10 IJEE C=CC[C@@]1(C(=O)O[C@@H](C)c2ccc(-n3cccn3)c(F)c2)CCCN1C(=O)OC(C)(C)C 1526982592 IAUNQGFHSBVDFX-XDHUDOTRSA-N 443.519 4.961 30 10 IJEE C=CCN(C(=O)c1ccc(-c2ccccc2)nc1C)[C@H](Cc1ccccc1)C(=O)OCC 1529014570 KBAGXSRIVDXIMT-RUZDIDTESA-N 428.532 4.860 30 10 IJEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(Oc3ccccc3F)nc2)ccc1OC 1531039712 DPVZVUODXSRJOA-SFHVURJKSA-N 435.455 4.633 30 10 IJEE C=CCn1c(SCC(=O)N2[C@H]3CC[C@H]2CC(F)(F)C3)nnc1-c1ccc(Cl)cc1 1533458815 WQRJXAWNKAGBAZ-HOTGVXAUSA-N 438.931 4.665 30 10 IJEE C#CCOc1ccc(C(=O)N(C2CC2)[C@@H](C(=O)OCC)c2ccc(Cl)cc2Cl)cc1 1538513185 WNLAHCCHBJYODI-OAQYLSRUSA-N 446.330 4.914 30 10 IJEE C#CCCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1539053784 ZVYHGLJMVBIXCW-ZJOUEHCJSA-N 442.007 4.548 30 10 IJEE C#CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1cnc(C)s1 1539097784 VWUZZGQUNZSULJ-UHFFFAOYSA-N 448.365 4.661 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CC[C@@H](C)C1 1539304625 CVBWXZWGPHGVEI-MSOLQXFVSA-N 425.374 4.607 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 1539662224 QMCJWVORWZOVJJ-FCHUYYIVSA-N 447.631 4.654 30 10 IJEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CCCCC2)C1 1539736131 SSOLKGOZKQDCKD-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([C@H]2CCCO2)CC1 1539774504 CHNJGOSIDTVFBR-QFBILLFUSA-N 434.943 4.705 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1539812941 VCRMAFPQLKXXMY-UHFFFAOYSA-N 441.988 4.538 30 10 IJEE C=C(Cl)Cn1c(N(CC)[C@H](C)C2CCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539820062 KXGFNZCEVFOHCR-NXHRZFHOSA-N 438.016 4.816 30 10 IJEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1539855760 GDWMIVLSZAAYAP-XMMPIXPASA-N 437.632 4.832 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cccn2)CC1 1539873724 BTSFOQZFBKIEAU-SFHVURJKSA-N 440.979 4.761 30 10 IJEE C=CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(CC(N)=O)CC1 1539954510 ZZZGASYOHPUDTR-QGZVFWFLSA-N 441.645 4.580 30 10 IJEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1539990855 SYASAQLUPHFHPQ-UXHICEINSA-N 440.588 4.572 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)C1CC1 1540095468 QJRVIZISJKNQNI-AABGKKOBSA-N 441.595 4.832 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CN(C)C1CCCCC1 1540699697 MXIUJKDYXUHYBG-JOCHJYFZSA-N 427.589 4.696 30 10 IJEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)c1nc(C)cs1 1545740714 CESFIWVURAUWSR-ZDWFVDTJSA-N 438.576 4.831 30 10 IJEE CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1CC1CCOCC1 1547505041 FTRSCQMFJMOJNV-UHFFFAOYSA-N 441.988 4.985 30 10 IJEE CO[C@@H]1CCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1555141116 DZYPLOHJSHFWSQ-FXAWDEMLSA-N 446.020 4.779 30 10 IJEE C#C[C@H](NC(=O)c1cc(-c2c(C)nn(CCCC)c2C)[nH]n1)c1ccc(Cl)cc1F 1556559692 NLIUJTUPIRVLJI-SFHVURJKSA-N 427.911 4.587 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)ccc2C)C1 1557408363 ZAPQMVWBTLUZDX-IBGZPJMESA-N 442.581 4.623 30 10 IJEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2cccnc2N2CCCCC2)cc1 1557455719 GXUZOFLMETZEJJ-UHFFFAOYSA-N 426.520 4.974 30 10 IJEE C=CCOc1c(Br)cc(CNCc2ccc(OC)c(Cl)c2)cc1OC 1560582309 AZQZWKOKOPSRJZ-UHFFFAOYSA-N 426.738 4.974 30 10 IJEE CC(C)(C)OC(=O)[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(F)cc1 1562429902 FKEZLNADGMOBDR-KRWDZBQOSA-N 437.393 4.921 30 10 IJEE C#C[C@H](NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1)c1ccc(Br)cc1 1584707772 FFLXMXQYRXMDSQ-HBFSDRIKSA-N 447.170 4.980 30 10 IJEE Cc1cccc2nc(CCNC(=O)c3ccc(Oc4ccccc4C#N)c(Cl)c3)cn12 1585531905 GNJSAFHDMSKPIF-UHFFFAOYSA-N 430.895 4.933 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)nnc1-c1ccc(Cl)cc1Cl 1586384974 LBQWIWSTNXGMRE-SOUVJXGZSA-N 449.407 4.858 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC1(O)CCCCC1 1588288961 SNUWJEOHXKWUNS-UHFFFAOYSA-N 438.572 4.967 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@H](c1cccs1)N1CCCC1 1588297745 GEUVSEZUYMYINY-HXUWFJFHSA-N 440.016 4.957 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCCCN1CCCC1 1589243255 YWOGHOLWLZUQPT-HHHXNRCGSA-N 449.643 4.732 30 10 IJEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1593899765 BYGVUYLAMKDQPI-IBGZPJMESA-N 436.934 4.696 30 10 IJEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1593901168 ZTQHQFSDQBLMHH-UHFFFAOYSA-N 433.912 4.795 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2c(F)cc(F)cc2C1 1594003536 CUGCZEDIVPKPCD-IEBWSBKVSA-N 436.934 4.790 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2csc(CC)n2)CC1 1594013821 LKKMHXFGGGRXCS-MRXNPFEDSA-N 427.549 4.781 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCOc2ncccc2F)CC1 1594134507 RDVAAQBHWQAWBE-UHFFFAOYSA-N 439.560 4.648 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC(C)(C)OC)CC1 1594202285 KFRQUAGIVWEHMP-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)C[C@H]1CC 1594461093 IIKVHWNDCNXCIQ-PKOBYXMFSA-N 430.618 4.576 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1594478451 PZROZWLUTUBPRM-OAQYLSRUSA-N 433.604 4.906 30 10 IJEE C=CCCCCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C)[C@@H](OC)C1 1594591144 MGJQIGAYDYWFMZ-LPHOPBHVSA-N 433.394 4.925 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC[C@H](OC)C(F)(F)F 1594906787 LGECVMSHKPWUCN-HNNXBMFYSA-N 447.299 4.606 30 10 IJEE C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1NC(=O)OC(C)(C)C)C1CC1 1595044167 ORDFJPWQMALHKE-UHFFFAOYSA-N 434.544 4.823 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@H](C)c1nc(C)cs1 1595099559 DKBJTLZRPCGKTC-KRWDZBQOSA-N 432.597 4.864 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(C)(C)C)C1 1595860618 RVOKHVVZXOIFDI-FQEVSTJZSA-N 437.613 4.664 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 1611556626 ROYKTDAQENJQQN-UHFFFAOYSA-N 429.341 4.564 30 10 IJEE N#C[C@H](C(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccccc1 1613388515 BPUURESURYQICB-AWEZNQCLSA-N 434.304 4.924 30 10 IJEE N#CC1(CCN2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)CCCCC1 1615318270 GLUYKTZAXXMTKC-UHFFFAOYSA-N 431.580 4.888 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 1616209499 UJEZJZQGNLJNKN-ROUUACIJSA-N 445.387 4.783 30 10 IJEE C=CC(C)(C)NC(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 1622944308 LHFHIWMITYAVIA-UHFFFAOYSA-N 449.292 4.630 30 10 IJEE C#CCOc1cccc(NC(=O)Nc2cnn(-c3cc(F)c(OC)cc3F)c2CCC)c1 1623086511 KZAGFBRPWQTCBI-UHFFFAOYSA-N 440.450 4.768 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc2sc(C)nc2cc1OC 1626596419 GEIFRSLBAYQNFQ-AWEZNQCLSA-N 425.938 4.588 30 10 IJEE C=CCc1ccc(OCC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)c(OC)c1 1627878110 UCCJVRIRRIIOHG-UHFFFAOYSA-N 448.607 4.707 30 10 IJEE C=CCOc1ccccc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 1628074263 APKPRBJLXAZKIV-FQEVSTJZSA-N 430.932 4.787 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F 1628255824 BPINBNRZTJCOHE-OAHLLOKOSA-N 438.849 4.753 30 10 IJEE C=CCN(CC1CCCCC1)C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1629020637 ULGPQANFQZATFE-NRFANRHFSA-N 430.593 4.664 30 10 IJEE C=CC[C@@]1(C(=O)N2CCC(CCN(CC)CC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1631460396 ZEQGJYYTTCYSPH-SANMLTNESA-N 449.680 4.939 30 10 IJEE CC#CCCNC(=O)C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1631720870 VWQXSMODFSMJFF-FQEVSTJZSA-N 430.548 4.567 30 10 IJEE C=C(C)COc1cccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 1632377265 YRDGBBATJHCYSS-UHFFFAOYSA-N 428.558 4.898 30 10 IJEE C=CCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1Br)C(=O)OC)c1ccccc1 1639983052 TYOVZLWVQRDMNV-CTNGQTDRSA-N 444.369 4.790 30 10 IJEE C=CCn1c(SCc2noc(CCCC)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1640555901 CMPZDZSONHKFAF-CYBMUJFWSA-N 430.599 4.787 30 10 IJEE Cc1ccc(-n2c(SCC(=O)[C@H](C#N)c3ccccc3)nnc2-c2ccncc2)cc1C 1640574415 FJDSIDNDYMHAPR-JOCHJYFZSA-N 439.544 4.915 30 10 IJEE C=CCN(C(=O)CN(CC)CC(C)(C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1641799547 KWKTZYGXXALXAY-UHFFFAOYSA-N 442.412 4.729 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(COc2ccccc2)cs1 1642732887 PYEONFYZEOATBT-INIZCTEOSA-N 437.949 4.697 30 10 IJEE Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(Br)c(C#N)c2)s1 1647797412 ALLMFAUULFVLLE-UHFFFAOYSA-N 433.327 4.642 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)C(=O)OCC 1648780253 VVHOJUVIJSMAFK-LJQANCHMSA-N 439.899 4.516 30 10 IJEE C#CCOc1cccc(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 1649401637 SEKHGRWHLNGKPU-GOSISDBHSA-N 435.524 4.749 30 10 IJEE C=CCn1c(SCc2cc(C(=O)OC)ccc2OC)nnc1-c1cccc(Cl)c1 1651889287 DOHAXTXUAXIBGU-UHFFFAOYSA-N 429.929 4.872 30 10 IJEE C#CCCOc1ccc(CN[C@H](C)CCc2ccc(I)cc2)cc1 1656178142 NJLLKUDFQCEPON-QGZVFWFLSA-N 433.333 4.804 30 10 IJEE COc1ccc(-c2csc(NC(=O)[C@H](C)N3CCC(c4ccc(C#N)cc4)CC3)n2)cc1 1656288768 GZTLIAXXMDEVEQ-KRWDZBQOSA-N 446.576 4.897 30 10 IJEE CC(C)(C)NS(=O)(=O)c1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 1657928744 BCDDVCASYHAEPF-UHFFFAOYSA-N 449.576 4.826 30 10 IJEE C=CCN(C(=O)Nc1ccc(OC)c(OCc2ccc3ccccc3n2)c1)[C@H](C)COC 1658974822 HAGRKVPSUITRCN-GOSISDBHSA-N 435.524 4.877 30 10 IJEE Cc1cccc(S(=O)(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)c1C#N 1664283090 CWGGFNQVQOZGGF-JOCHJYFZSA-N 440.952 4.757 30 10 IJEE C=C1CCC(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)CC1 1665141166 NRKJSODZSHGGIO-XDTJVVMOSA-N 445.629 4.658 30 10 IJEE CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1667489843 ADYXKPKJYZLUCF-UHFFFAOYSA-N 428.455 4.782 30 10 IJEE C#Cc1ccc(CNC(=O)Nc2cc(C(=O)OC(C)(C)C)ccc2Br)cc1 1668627007 IJOCFTZKNSRTAL-UHFFFAOYSA-N 429.314 4.707 30 10 IJEE C#CCOc1ccccc1NC(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1 1669732472 BGEMLRYKOXQNKO-UHFFFAOYSA-N 430.460 4.708 30 10 IJEE C[C@@H]1CN(c2ccncc2)CCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1671955027 GOXWOCWURCTFDL-GOSISDBHSA-N 429.549 4.847 30 10 IJEE C=C(C)c1cccc(NC(=O)N2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)c1 1673604977 FVPGUBGUWXCQEU-UHFFFAOYSA-N 429.561 4.790 30 10 IJEE C=CCNC(=O)c1ccc(NC(=O)NC(C)(C)c2ccc(Br)c(C)c2)cc1 1673644404 YRDXNIISLIPUHG-UHFFFAOYSA-N 430.346 4.730 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCC(F)(F)[C@H](C(=O)OCC)C1)c1ccc(C(F)(F)F)cc1 1679305948 SWGRTYPRFWWRNE-DLBZAZTESA-N 448.432 4.943 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccc(Br)cc1 1683681921 YTEZNSRQNVBZKI-ROUUACIJSA-N 431.305 4.864 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCc1scnc1C 1689827501 GEXOUDHZRGVINJ-HOCLYGCPSA-N 429.977 4.537 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(CC)Cc1ccc(OC)cc1 1690245911 OJGLGFNFWSUPMF-REWPJTCUSA-N 426.605 4.883 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690247843 HCTCEGSOSHFXKS-LZNRXBQRSA-N 445.007 4.507 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)C[C@H](C)Cc2ccc(OC)cc2)nnc1C(C)(C)C 1690252190 AVUDUGVTCWTOIL-NWSQWKLXSA-N 440.632 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@H](C)c1c(C)noc1C 1690271132 DZAUYAIEEXWOMF-MRXNPFEDSA-N 427.524 4.807 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[C@H]2CCCCO2)CC1 1690368534 BOKSCKVIVIKPKZ-QGZVFWFLSA-N 449.368 4.962 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1690404636 LTUJVRZUURLNFA-SFHVURJKSA-N 443.039 4.906 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)C1 1690418950 CDCKYYFXLYFQCW-VWLOTQADSA-N 439.604 4.755 30 10 IJEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1690456342 DUFSGBHTGOKWLS-QGZVFWFLSA-N 438.494 4.858 30 10 IJEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 1690481291 ZQXAYLCNAFHOJZ-KRWDZBQOSA-N 426.590 4.571 30 10 IJEE C=CCCCn1c(Cc2ccsc2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1690488626 QWHNFHPKTHPMCQ-HKUYNNGSSA-N 445.633 4.636 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@@H](C)C1 1690569864 OEGTWYCCSINUOE-OFNKIYASSA-N 441.595 4.583 30 10 IJEE COC1(Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@@H](C)C#N)CCC(C)CC1 1697230390 CLIXZGZYECBXHY-CSKUQDPHSA-N 448.571 4.791 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccccc1Cl 1705577071 UMUAOZVGOMIWHW-KRWDZBQOSA-N 434.996 4.906 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC[C@H](OCC)C1CCCC1 1705578067 DWDNFROMESJFCR-DEOSSOPVSA-N 441.579 4.552 30 10 IJEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)CC(C)(C)C1 1705656698 GFBFSKBVXZLQIR-GOSISDBHSA-N 442.629 4.591 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1Cc1ccnc(SCC)c1 1705673852 OVNSNHJMXYMZPF-XMMPIXPASA-N 433.581 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1cc(C)no1 1705677671 XORAKRDNMIFNLG-RUZDIDTESA-N 433.556 4.626 30 10 IJEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC1CCC1)CC1CC1 1705683941 FVXJJDSFPQOVKS-UHFFFAOYSA-N 446.349 4.778 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C)C1 1705696898 IXXVMBVEQGADTI-OOSNJVJTSA-N 430.980 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC(C)C)C(C)C 1705708391 BTUSGAKPJSAYDJ-XXBNENTESA-N 430.568 4.848 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCC[C@@H]2CC)CC1 1705771641 BBQXHLOQWLMABG-QHCPKHFHSA-N 437.632 4.895 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)COC)CC1 1705777871 RVLBFQLTYPSBRO-UHFFFAOYSA-N 442.604 4.816 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705786785 XSUAQHJSAPYXMM-SFHVURJKSA-N 430.666 4.735 30 10 IJEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1cccc(F)c1 1705810208 QYIQTPNVOHQYGL-NNWRFLSQSA-N 428.552 4.839 30 10 IJEE C=CCCCCn1c(N2CCC[C@@H]2c2ccc(C)o2)nnc1[C@@]1(OC(C)C)CCOC1 1705810259 SJJMSCUDCPUQQG-HYBUGGRVSA-N 428.577 4.918 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1705813515 KEHIUUMUCYLWBY-HXUWFJFHSA-N 443.039 4.908 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1705859784 ZBQCGDOWQAALLW-UHFFFAOYSA-N 430.899 4.699 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(c2nc(C)no2)CC1 1722325748 CKRZQOUUUWKVNM-UHFFFAOYSA-N 445.354 4.741 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@H](C)N(C)C 1722469073 SWNLOJUUIYQSGS-IVZQSRNASA-N 428.005 4.755 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)CC=C 1722475582 UILWQUXCTRBJFM-HHJKRLRDSA-N 441.620 4.643 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC(F)(F)F 1722495896 ULVNKVDNXMVGGO-OXJNMPFZSA-N 445.489 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1c(F)cccc1Cl 1722510306 SYVRULBXEMCXDH-WWMYMODYSA-N 448.970 4.582 30 10 IJEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(CCN2CCCC[C@@H]2C)CC1 1722526250 TVBIKKIVFCQBSG-FQEVSTJZSA-N 427.662 4.987 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1 1722558038 BHMRPGSWWYFGBL-SJORKVTESA-N 438.016 4.975 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC1CC(F)(F)C1)c1ccccc1 1722595854 ZYHPHEVIYYMXKH-IBGZPJMESA-N 426.515 4.520 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1CC 1722661482 HHHVRWJCDOEGJX-HXUWFJFHSA-N 437.613 4.692 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)C(C)C 1722663286 UJDMGQGYABRQPW-ZJSXRUAMSA-N 447.631 4.545 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722737922 VVJKBCXVAPWFEW-HXUWFJFHSA-N 439.585 4.649 30 10 IJEE C#CCCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CC[C@](F)(C#N)C1 1740581128 QEAJJRWZWDFQPY-JTSKRJEESA-N 429.927 4.544 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](c2ccccc2C)C1 1740778072 DTCJMPBYEUXZGU-QGZVFWFLSA-N 440.389 4.925 30 10 IJEE C=C(C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1740781613 QPVCHOOSZAMVPB-AQNXPRMDSA-N 431.625 4.984 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 1740788449 TUNAANMWPISLAD-RTBURBONSA-N 449.640 4.514 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(OC)C2CC2)CC1 1740835387 RJQXELDMGLHODK-JOCHJYFZSA-N 445.405 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740848711 PKEHTJKFADJSHU-UHFFFAOYSA-N 439.579 4.640 30 10 IJEE C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1740949358 TWEVXZTXJPORSX-HSZRJFAPSA-N 437.632 4.752 30 10 IJEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1741002395 MHRIKQDVSVKCIR-GOSISDBHSA-N 431.625 4.640 30 10 IJEE C=CCSCCn1c(CCOc2ccccc2)nnc1N1CCCc2sccc2C1 1741005640 MMUKDGUAGWQZMQ-UHFFFAOYSA-N 440.638 4.833 30 10 IJEE C[C@@H]1C[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(CC#N)CC2)CCO1 1742949406 AJADQAXOVRXGDQ-QWFCFKBJSA-N 441.551 4.502 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1csc(CC)n1 1748652005 VQUMMGPRHXJEFL-INIZCTEOSA-N 439.654 4.995 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1748702495 JVIKOTFGLGSNJM-IBGZPJMESA-N 434.506 4.814 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)Cc1ccon1 1748732091 SHVIHSFDCFGJOS-QGZVFWFLSA-N 427.936 4.726 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCSCC(F)(F)F 1748946730 PVNDWNJXLSHRDA-UHFFFAOYSA-N 428.499 4.551 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1Cc1cnc(C)s1 1748946768 QPFJPMNCYBZULN-UHFFFAOYSA-N 437.569 4.523 30 10 IJEE C#CCSCCn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccccc1Cl 1749050311 YOEHNKYUQOOPLT-UHFFFAOYSA-N 426.977 4.705 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(C)cc2)n1CC(C)(C)COCC 1749079908 CHCDAXXCTFAFBU-XMMPIXPASA-N 426.630 4.934 30 10 IJEE C=C(Cl)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)Cc1ccoc1 1749255645 FYLMEYXTONPLAU-UHFFFAOYSA-N 437.725 4.698 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2ccsc2)CC1 1749359785 QEHCPCGJNSLKGA-UHFFFAOYSA-N 446.624 4.803 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@]1(O)CCC[C@H]1C 1749530155 SZXBOMBTZVHAFP-FQRUVTKNSA-N 438.616 4.763 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1749547621 VFAUSNSRCQXZAN-BGYRXZFFSA-N 425.596 4.855 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cccc(NC(=O)C2CCCC2)c1 1750737351 BOMPJZLNXHNCBW-AREMUKBSSA-N 448.615 4.784 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1cc(C)nn1C 1760331016 IICBKHUXKJFWOT-UHFFFAOYSA-N 446.555 4.610 30 10 IJEE C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1760347399 XETMJELWBSBIBX-UHFFFAOYSA-N 449.643 4.649 30 10 IJEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1760412180 WVVYNGNCVDIQEP-HKUYNNGSSA-N 431.625 4.887 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760467283 XDEKRYRNHTWODV-NLFFAJNJSA-N 425.621 4.607 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@H](C)c1nccs1 1760479402 NQPTXNVEHGAHET-KRWDZBQOSA-N 429.553 4.598 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCO[C@@H]1CCCC[C@@H]1C 1760497509 IOGOWFGSVZJSOB-DXBBTUNJSA-N 430.637 4.970 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(OCC(F)(F)F)c2)C1 1760534803 GMCVPKBTSWGWCS-QFBILLFUSA-N 438.494 4.562 30 10 IJEE C=CCSCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC(CO)CC1 1760559745 KKMPHTNDNLMASW-UHFFFAOYSA-N 449.045 4.941 30 10 IJEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(C)(C)C1)c1cccnc1 1760871769 CMLSXFYGNYWLKF-QFIPXVFZSA-N 446.624 4.983 30 10 IJEE Cc1cc(C)cc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(c3ccccn3)CCC2)c1 1761661738 ASLZKNUAYBDTJZ-OAQYLSRUSA-N 444.583 4.729 30 10 IJEE CCc1cccc2c(CCn3c(-c4cccc(C)n4)nnc3N(C)C[C@H](C)C#N)c[nH]c12 1762633646 AHRQCDFFTRJHJV-QGZVFWFLSA-N 427.556 4.531 30 10 IJEE CCOc1ccc(-c2ccc3[nH]cc(CCNS(=O)(=O)c4ccccc4C#N)c3c2)cc1 1858052258 GMJNCQBTCORJLW-UHFFFAOYSA-N 445.544 4.626 30 10 IJEE CC(C)Oc1ccccc1NC(=O)Oc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858912682 AGJCJGWIWCBUAA-UHFFFAOYSA-N 429.476 4.886 30 10 IJEE CCOC(=O)c1sc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2C)c(C#N)c1C 1859642994 WXDREVWSNDKGQV-UHFFFAOYSA-N 440.912 4.776 30 10 IJEE CCc1ccc(CCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(OC)c3n2)cc1 1859656179 TZZRTIQPKGPEON-UHFFFAOYSA-N 439.519 4.743 30 10 IJEE COc1ccccc1C(=O)Oc1ccc(C2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1860705990 RQBVQQLHSRORNQ-UHFFFAOYSA-N 440.499 4.806 30 10 IJEE CC[C@@H](Sc1nc(O)c(C#N)c(-c2ccccc2Cl)n1)C(=O)OCc1ccccc1 1860827552 UWDBKKLYMOZIQQ-GOSISDBHSA-N 439.924 4.988 30 10 IJEE CCCCCCCCNC(=O)[C@@H](CCC)NC(=O)C1CCN(Cc2cccc(F)c2)CC1 1861177955 HPNLTNGFHPPYNK-XMMPIXPASA-N 447.639 4.799 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 1861820782 VNYDHPMXLRDXLV-HSZRJFAPSA-N 427.564 4.819 30 10 IJEE C=CCN(CC=C)C(=O)c1cc(-c2c(F)cc(F)cc2F)n(Cc2ccccc2F)n1 1862343519 BGHORDFURVJLCP-UHFFFAOYSA-N 429.417 4.969 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2F)cc1C 1862402635 CYYOWGRTUZBFJL-OAQYLSRUSA-N 439.414 4.653 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C2CC2)cc1 1862469698 UKXSGAFIHCPUJV-IBGZPJMESA-N 442.309 4.589 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 1862494229 IOXXTSZVFQDHIC-URXFXBBRSA-N 449.547 4.850 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc(CC)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 1862533521 LTUJHZCMENFMJW-DEOSSOPVSA-N 442.515 4.821 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(C)C)cc1 1862596056 RADNHFPHCBNICL-HSZRJFAPSA-N 437.536 4.909 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1c(Cl)cccc1Cl 1862633768 PTCQNCCDYGLMRD-GOSISDBHSA-N 434.275 4.710 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1O 1862677536 HLNMQLBRHBGSJV-HSZRJFAPSA-N 447.462 4.627 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)[C@H]2c2ccccc2C)c1 1862698616 KXKBXBSQYZYYKI-DEOSSOPVSA-N 445.490 4.964 30 10 IJEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2)[C@@H]1c1c(F)cccc1Cl 1862719264 JULVJNIIAZADDU-ASSNKEHSSA-N 439.870 4.591 30 10 IJEE C[C@@H](c1ccccc1)N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 1862746844 FFSOOFZBQCIVDL-KSFYIVLOSA-N 428.444 4.934 30 10 IJEE N#Cc1cccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3ccc(F)cc3F)C2=O)c1 1862948097 HNIJEOWNEJDMTP-UHFFFAOYSA-N 437.352 4.511 30 10 IJEE COc1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1862960913 QJNIPCIDYWVSBY-UHFFFAOYSA-N 429.863 4.617 30 10 IJEE CCCCCCCCNC1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccn2)C1=O 1863527089 KHMSYYGUXCLJPX-UHFFFAOYSA-N 425.960 4.965 30 10 IJEE CC[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N[C@H](C#N)c1ccc(C)cc1 1867697090 OFWDJJGLVAJRRY-DNQXCXABSA-N 427.504 4.677 30 10 IJEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1 1868713176 MPGDSEIJVJXHBM-XMMPIXPASA-N 440.534 4.972 30 10 IJEE C=CCN(CC=C)c1nc(NC(=O)c2ccc(F)cc2F)n(-c2ccc(Cl)cc2)n1 1870002395 MHCSSDAERJBNPI-UHFFFAOYSA-N 429.858 4.630 30 10 IJEE Cc1cccc(C)c1Cn1nnc(C#N)c1NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1870108809 ZHZXXGMINMAQCT-QHCPKHFHSA-N 435.531 4.780 30 10 IJEE Cc1c(Cl)cccc1-n1nnc(C#N)c1NC(=O)CCCOc1ccccc1Cl 1870144921 NVKVAXWOMMECQZ-UHFFFAOYSA-N 430.295 4.552 30 10 IJEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1ccc(C)cc1 1870233566 VYQGXJWSPWSMFS-UHFFFAOYSA-N 434.561 4.936 30 10 IJEE C=CCOc1cn(CCc2ccc(C)cc2)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870809622 MSKPVNOTXDXAFV-UHFFFAOYSA-N 431.536 4.535 30 10 IJEE C=CCOc1cn(Cc2ccccc2Cl)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1870809886 AAKOHKKCPKHHAU-UHFFFAOYSA-N 425.872 4.635 30 10 IJEE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccncc2)C3=O)cc1OC 1871366896 RVJPXNVMFNREDD-ZYPUKPEJSA-N 443.455 4.642 30 10 IJEE CCN(CCc1ccncc1)Cc1c(O)cc(C)c2c1O/C(=C\c1ccc(F)cc1)C2=O 1871394445 YDJIWQZLBTUZFX-HAHDFKILSA-N 432.495 4.916 30 10 IJEE CC(=O)Nc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 1871432952 UKTLSPZELYWCFX-MSXFZWOLSA-N 431.419 4.662 30 10 IJEE COc1ccc(NC(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1 1871457010 JSSFEMLRRAQFEC-UUYOSTAYSA-N 435.863 4.982 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC)S(=O)(=O)CCCC 1871798792 RQGZYRFQRLWFBJ-KBXCAEBGSA-N 435.417 4.965 30 10 IJEE N#C[C@H](C(=O)Cc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872763869 XTBNQMWPZFWRIG-MRXNPFEDSA-N 442.294 4.900 30 10 IJEE C=CCn1c(C(=O)N(CCC)CCCC)cc2c(N3CCc4ccccc4C3)ncnc21 1873562380 AKRNYLVQJKYBEH-UHFFFAOYSA-N 431.584 4.832 30 10 IJEE CCCCCCCCCCNC(=O)c1cc2c(N(CCO)CCCC)ncnc2n1CC 1873570988 RMEJUVADVLFTGC-UHFFFAOYSA-N 445.652 4.921 30 10 IJEE CCSc1nnc(CCCOc2ccccc2Cl)n1/N=C/c1ccc(C(=O)O)cc1 1874215657 DAOALACNZIRMIC-OEAKJJBVSA-N 444.944 4.636 30 10 IJEE O=C(CSc1nnc(C2CCCC2)n1/N=C/c1cccs1)Nc1ccccc1F 1874452243 LTWDZNOVJUOTPD-WSDLNYQXSA-N 429.546 4.749 30 10 IJEE CCOc1c(Br)cc(/C=N/n2c(SCC)nnc2C2CCC2)cc1OC 1874493068 UTNSICKHOALNFH-RGVLZGJSSA-N 439.379 4.710 30 10 IJEE NC(=O)COc1ccc(Br)cc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 1874579075 VJENXJSKVYAZLO-GORDUTHDSA-N 429.097 4.516 30 10 IJEE CCOc1ccc(C(=O)/C=C/c2cc(Br)ccc2OCCO)c(OCC)c1 1874589519 PSQSJYVDBNVSHG-WEVVVXLNSA-N 435.314 4.514 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)NCc1ccccc1 1874609315 KFRPYVLKERIAIY-OQLLNIDSSA-N 445.515 4.685 30 10 IJEE CCc1ccccc1OCC(=O)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 1874707373 CBLUHKLPLDADQJ-ZRDIBKRKSA-N 430.456 4.858 30 10 IJEE CCOc1ccc(OCC)c(C(=O)/C=C/c2ccc(OC(=O)c3cnc(C)cn3)cc2)c1 1875172019 ZGMXPOJUEODGAT-XYOKQWHBSA-N 432.476 4.698 30 10 IJEE Cc1ccc(Oc2cccc(C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)c2)cc1 1891303351 XZDTUSDBXHSFJS-UHFFFAOYSA-N 426.520 4.795 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](Cc2cccc(F)c2Br)NCC)C1 1892694549 FMGUBJPHLGHENR-MRXNPFEDSA-N 427.358 4.722 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCN(C(=O)OC(C)(C)C)CC1(C)C 1922087054 VVDWDONGYSUNCY-NVQXNPDNSA-N 446.632 4.526 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C)N(C(=O)OC(C)(C)C)C1 1941498897 ZHXMYEGFPOOHDR-HJPURHCSSA-N 431.533 4.728 30 10 IJEE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H](C#N)C1 1963191607 QFZGIYFPQJVIMQ-XHNVNVPESA-N 445.563 4.702 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(C#N)ccc1Cl 2010517724 SOHKOKXNXBRDFU-GOSISDBHSA-N 443.931 4.650 30 10 IJEE C=CCC1([C@H](N)Cc2ccc(Cl)cc2Br)CN(C(=O)OC(C)(C)C)C1 2028171997 LXTQRPSBSBUZBR-MRXNPFEDSA-N 429.786 4.786 30 10 IJEE CC1(C)OB(c2cnc(SCc3ccc(Cl)o3)c(Br)c2)OC1(C)C 2052567696 WVLDFKQYSHSGGO-UHFFFAOYSA-N 430.560 4.682 30 10 IJEE O=C(NC1CC1)c1nn(Cc2cc(F)ccc2C(F)(F)F)c(C(F)(F)F)c1Cl 2079243357 SVYJTCJTHRLALA-UHFFFAOYSA-N 429.723 4.654 30 10 IJEE C=C(COCc1ccccc1)C(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2083810622 MTMJRNNQQRKSMZ-SANMLTNESA-N 443.584 4.793 30 10 IJEE COC(=O)C1=C(O)c2ccccc2C(=O)[C@@]1(CC=C(C)C)C1=CC(=O)c2ccccc2C1=O 2085667491 CDHHYGYUIPPDJB-MHZLTWQESA-N 442.467 4.673 30 10 IJEE Cc1ccnc(N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2116079302 QEQYMBPZGKADEH-RBBKRZOGSA-N 436.405 4.509 30 10 IJEE CN(C[C@H]1CCCCN1c1cc(Br)cc(F)c1C#N)C(=O)OC(C)(C)C 2118199069 NYXDUVHHBOFRFE-CQSZACIVSA-N 426.330 4.686 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(F)c(Br)c1)NCCC 2159127410 GIAZCKHSBGXDMZ-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(c2cc(Br)cc(C#N)c2)CC1 2174807546 CYSWJZGCRLGARZ-LJQANCHMSA-N 434.378 4.937 30 10 IJEE C[C@H](CCC[C@@H](C)C(=O)Nc1ccc(Br)c(C#N)c1)NC(=O)OC(C)(C)C 2180916458 MNKGZSLLSQVDJA-ZIAGYGMSSA-N 438.366 4.979 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@H](CC1CC1)NC(=O)OC(C)(C)C 2235720865 AHMKBHXUMGUBJX-UXHICEINSA-N 435.406 4.862 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2235727382 QJQHTJQAVJMEDY-IEBWSBKVSA-N 435.406 4.816 30 10 IJEE CCN[C@@H](C#CC(C)(C)C)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237408219 BTRHIFFRLKBJHC-OALUTQOASA-N 437.422 4.913 30 10 IJEE C#CC[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2244547888 HDNBPFAUTWCZBU-UNVFRBQDSA-N 444.575 4.954 30 10 IJEE CC[C@](NC(=O)OC(C)(C)C)(C(=O)C#Cc1ccc(Br)cc1)C(F)(F)F 2278733028 PIHZLLJUTLJYFN-KRWDZBQOSA-N 434.252 4.606 30 10 IJEE C[C@H](NC(=O)OC(C)(C)C)c1nc([C@@H](N)C#Cc2ccc(Br)cc2)cs1 2278796144 LPGWATUMHSQFCA-WFASDCNBSA-N 436.375 4.543 30 10 IJEE COc1cc([C@H](O)C#Cc2ccc(Br)cc2)ccc1NC(=O)OC(C)(C)C 2296277993 ZAONEGZBIUBCMS-GOSISDBHSA-N 432.314 4.890 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2296298614 MACYSJZMAICFQV-UXHICEINSA-N 435.406 4.862 30 10 IJEE C=CCOc1c(Br)cc(C=C2SC(=Nc3ccccc3)NC2=O)cc1OC 2297550886 WNGHDOWKPHPDES-UHFFFAOYSA-N 445.338 4.914 30 10 IJEE C=CCN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H](C2CCC2)C1 2305316297 KYPDRVDMSLANIF-BWKNWUBXSA-N 428.573 4.698 30 10 IJEE CCc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 2314477731 LUKFFKHDQDPJAI-VWLOTQADSA-N 441.531 4.514 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1cccc(Cl)c1 2314522270 BCTRKUUIOTVEOH-JOCHJYFZSA-N 442.943 4.643 30 10 IJEE N#Cc1cc(Sc2cc(I)ccc2Br)ccc1N 2316471204 ZQLVCMWIZRKAJE-UHFFFAOYSA-N 431.096 4.659 30 10 IJEE Oc1nc(CSc2nnc(C3CC3)n2N=Cc2ccc(Cl)cc2)nc2ccccc12 2320879183 XXUSPFBMFHWEQZ-UHFFFAOYSA-N 436.928 4.632 30 10 IJEE COc1ccc(OCCCc2nnc(S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 2322223680 WBMNNBMPKWCCHN-UHFFFAOYSA-N 437.352 4.776 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc4c3CN(C[C@H](O)c3ccc(Cl)cc3)CO4)C2=O)o1 2322234298 OKWJPGMVHSJUAC-FQEVSTJZSA-N 437.879 4.743 30 10 IJEE CCN(CC)CCCCN1COc2c(cc3c(c2C)OC(=Cc2cccs2)C3=O)C1 2322388118 RWKZBHAIPKOKDW-UHFFFAOYSA-N 426.582 4.947 30 10 IJEE CCCN(CCC)C(=O)COc1c(C=CC(=O)c2ccc(OC)c(F)c2)cccc1OC 2322711419 WKQXJNWYHBQUSA-UHFFFAOYSA-N 443.515 4.766 30 10 IJEE Cc1cccc(N2CCN(Cc3c(O)ccc4c3OC(=Cc3ccc(F)cc3)C4=O)CC2)c1 2324187107 UEWMHIDKNQRKTM-UHFFFAOYSA-N 444.506 4.778 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)OCC(C)C)c([N+](=O)[O-])c2)c(C)c1C 2324305229 KUXPDQJTGYTTEW-UHFFFAOYSA-N 441.480 4.694 30 10 IJEE COc1ccccc1NC(=O)COc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2325736290 XLTSEKODNLMWHT-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCN(CC)C(=O)COc1ccc2c(c1)OC(=Cc1cn(CC)c3ccc(OC)cc13)C2=O 2325743088 HOWMAAKHPPVJPB-UHFFFAOYSA-N 448.519 4.533 30 10 IJEE COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC(=O)c1ccccc1OC 2325746950 QSNCBGRZFWVPEZ-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCOc1ccccc1OCc1nnc(SCc2ccccc2)n1N=Cc1ccccn1 2326832531 FAGNAEMJAXNHAJ-UHFFFAOYSA-N 445.548 4.825 30 10 IJEE Cc1ccc(C=Nn2c(SCCc3ccccc3)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329034702 DJIOLVKHGZWCAY-QFIPXVFZSA-N 447.608 4.528 30 10 IJEE Cc1ccccc1C(=O)Oc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2330632323 DVGZALIFMGMHDU-UHFFFAOYSA-N 432.388 4.927 30 10 IJEE Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1sccc1C 2331187223 KBBYLZQRTGJZKF-UHFFFAOYSA-N 437.550 4.829 30 10 IJEE CC(C)(C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc([N+](=O)[O-])c1 2331385086 DBZKEYBAXFFQOM-UHFFFAOYSA-N 440.485 4.567 30 10 IJEE CC(C)(C)OC(=O)NC1CCC(Oc2ccc(C=CB3OC(C)(C)C(C)(C)O3)cn2)CC1 2339576730 LKYLXATXANMRKN-UHFFFAOYSA-N 444.381 4.941 30 10 IJEE N#Cc1cc(Br)cnc1OCc1ccc(Cl)cc1I 2340082617 PEUTWVGOZVATPT-UHFFFAOYSA-N 449.473 4.553 30 10 IJEE CCCN[C@@H](C#Cc1ccccc1Br)C[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2360961500 SBLAERIUTBZFAN-OTWHNJEPSA-N 435.406 4.720 30 10 IJEE CC#CCN(C[C@@H](NCCC)c1cc(Br)ccc1OC)C(=O)OC(C)(C)C 2364630423 JPLSTLWYRPHXKA-GOSISDBHSA-N 439.394 4.759 30 10 IJEE C=CCOc1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 2830145 DJGHFJZRBPFFJJ-YBEGLDIGSA-N 433.689 4.765 30 10 IJEE O=C1ON=C(c2cccc(I)c2)/C1=C\c1ccc(Cl)cc1Cl 8781414 GLUXBVMSDOJSMW-NTUHNPAUSA-N 444.055 4.943 30 10 IJEE C=CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1ccccc1OC 19316701 LGDSVPAMSZYQLU-UHFFFAOYSA-N 439.566 4.976 30 10 IJEE CCCCOc1cccc(NC(=O)CSc2n[nH]c(N/N=C(\C)c3cccs3)n2)c1 21082995 WEWHNAYUBWAZDR-OEAKJJBVSA-N 444.586 4.612 30 10 IJEE COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(OC)c(OC)c2)cc1 28052430 JEBWQEVGETWZFD-OSPHWJPCSA-N 446.503 4.967 30 10 IJEE C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 33274688 XMQLDNFHZYIDGW-UHFFFAOYSA-N 438.593 4.869 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 35420740 QBRJVGYFQAXYDQ-LUTRRODMSA-N 432.501 4.724 30 10 IJEE CCCCCCCCCCOc1c(OC)cc(CN2CCN(CCCN)CC2)cc1OC 100156723 KBQACVVNYKROOH-UHFFFAOYSA-N 449.680 4.690 30 10 IJEE Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Br)cc3)CC(=O)N2C)cc1C 100262504 KZIHMXYKWDEUHP-DVCONVQISA-N 446.370 4.656 30 10 IJEE Cc1cc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 102710934 IJSFPSFXZNEQFS-VZCCSQPZSA-N 429.259 4.916 30 10 IJEE CCCCCCCCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 103010414 AWSMVTGEEBSWSV-INIZCTEOSA-N 443.569 4.631 30 10 IJEE N#Cc1ccc(OCCCN2CCC([C@](O)(c3cccc(F)c3)c3ccccn3)CC2)cc1 103256794 YLADDJNCJBCBJE-MHZLTWQESA-N 445.538 4.509 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccnc2)cc1 170011100 DPGRCBMJDOYAFM-NRFANRHFSA-N 434.879 4.522 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2c[nH]c3ccccc23)ccc1F 170077123 YTRGXVHRNRBHJX-HSZRJFAPSA-N 441.462 4.789 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)c(C)c3)=C(O)C(=O)N2CCCOC)c1 170112250 PFYGXQHZPYDOGE-QFIPXVFZSA-N 441.499 4.538 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)c1 170163554 DZQCYZDOGXTAIM-IBGZPJMESA-N 440.908 4.584 30 10 IJEE COc1c(C)cc(C)cc1C(=O)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccn1 170182354 NQELHOAMMFBLJP-QFIPXVFZSA-N 446.478 4.625 30 10 IJEE CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccn2)cc1 170182491 XYNDPQYBRDGREL-QHCPKHFHSA-N 446.478 4.786 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccccc2)cc1Cl 170224584 PVRPXHLGUNXOBJ-NRFANRHFSA-N 435.863 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1ccc2ccccc2c1 170260700 KQLVTPMZSQWTCK-QHCPKHFHSA-N 425.440 4.917 30 10 IJEE CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccc3ccccc23)[C@H]1c1cccc(O)c1 170264012 BIBRZCNGUPZRKQ-XMMPIXPASA-N 445.515 4.939 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1c1ccc2c(c1)OCCO2 170325809 HKCSDHGYDAYKIW-DEOSSOPVSA-N 447.531 4.715 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2cccc(OCC)c2)cc1 170359681 AOZMQBJOXGHXOF-HSZRJFAPSA-N 444.487 4.662 30 10 IJEE CC(=NOCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Br)cc1 252614719 JMNDCCQINHAKTC-UHFFFAOYSA-N 432.343 4.640 30 10 IJEE Cc1nn(C)c(CC(=O)/C=C/c2ccc(NC(=O)OC(C)(C)C)cc2)c1Br 405945874 XKQBYNMGYVEZGA-DHZHZOJOSA-N 434.334 4.663 30 10 IJEE C[C@@H](NC(=O)Cc1noc(/C=C\c2cccc(C#N)c2)n1)c1ccc(Cl)cc1Cl 445764884 JTAAWLWRJQATND-DMTLFAOVSA-N 427.291 4.838 30 10 IJEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)Cc1ccccc1C 460808475 XQZPLJCGRWIMGV-GOSISDBHSA-N 428.540 4.546 30 10 IJEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 508273532 AWMVJLQJKLWVNB-UHFFFAOYSA-N 446.482 4.852 30 10 IJEE Cc1nnc(SCc2ccccc2F)n1/N=C\c1cc(Cl)c(O)c(Cl)c1O 526802496 JBNNUJNIRTWCCR-YXSASFKJSA-N 427.288 4.618 30 10 IJEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 573341303 QPKDRTPPKIVXJI-LJQANCHMSA-N 443.473 4.821 30 10 IJEE COc1ccc(OC)c(N(Cc2cccc(C#N)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 586211271 DWYWFLMHHBYDNJ-UHFFFAOYSA-N 442.924 4.624 30 10 IJEE COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc(Cl)n1 586214239 XOZTYJASFWRMIT-UHFFFAOYSA-N 441.940 4.628 30 10 IJEE C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 609252587 CBOOESSKCYLJLB-OAHLLOKOSA-N 434.446 4.649 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1 619819368 WCAJZBPVCOBWNA-OPAMFIHVSA-N 425.895 4.562 30 10 IJEE C=C(COCCC)[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 686824089 VOEYRKWHIRYIMV-QHCPKHFHSA-N 445.648 4.507 30 10 IJEE COc1ccccc1N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 698444790 SRLBGCCILVHXKA-OSPHWJPCSA-N 445.560 4.976 30 10 IJEE C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(c3nccc(C)n3)CC2)c1=S 758246319 KKERRTNUDQVACZ-UHFFFAOYSA-N 441.004 4.856 30 10 IJEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)c1ccccc1 767947028 IHVNIRMWWRFYHG-JOCHJYFZSA-N 446.551 4.941 30 10 IJEE CC(=O)[C@@H](Cc1cccc(Cl)c1F)OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 768698822 SAIGFEAUQCWMKY-HXUWFJFHSA-N 438.842 4.895 30 10 IJEE C#CCn1ccc(CN(CCOC)[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 789322721 AFPCNTNRPHHWPF-AWEZNQCLSA-N 433.396 4.764 30 10 IJEE N#Cc1ccc(NN=C2C(=O)Nc3ccc(Br)c(Cl)c32)c(C(F)(F)F)c1 799492978 XGFFKRRYACKHRT-UHFFFAOYSA-N 443.610 4.761 30 10 IJEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(O)(c2cccc(C)c2C)CC1 800780888 MYEUFECQGCHRLY-UHFFFAOYSA-N 441.579 4.641 30 10 IJEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H]1c1cccc(F)c1 812186290 PHCGQJRUCZHCNC-JOCHJYFZSA-N 449.530 4.761 30 10 IJEE CC(CC(C)C)=NNc1nc(SCCC(=O)Nc2ccccc2Br)n[nH]1 1084001032 QTERGLGXTPHNKL-UHFFFAOYSA-N 439.383 4.522 30 10 IJEE CC(/C=C\c1ccccc1)=NNc1nc(SCC(=O)Nc2nc3ccccc3s2)n[nH]1 1084107304 SWENIMLFOOFVHX-BOYURZSTSA-N 449.565 4.646 30 10 IJEE C=CCN(C(=O)c1coc(=O)c2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124353163 UEFWHSHXTZVFQV-UHFFFAOYSA-N 433.445 4.658 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(C)[nH]1 1149886321 MSYKDWASOOCGHW-QFIPXVFZSA-N 430.508 4.530 30 10 IJEE C=CCC[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccc(C)c1)c1ccc(C(F)(F)F)cc1 1151867061 JDZMIVJAGDFALQ-VQTJNVASSA-N 433.474 4.937 30 10 IJEE C#CCC1(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2Cl)CCCCC1 1178770700 XHNLXCWRQUGNBT-UHFFFAOYSA-N 430.957 4.597 30 10 IJEE C#C[C@@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1180235733 VLDISGXDXSOWOJ-JOCHJYFZSA-N 438.593 4.721 30 10 IJEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F)[C@@H]1CCCc2ccccc21 1205403689 MPVSMZSBQKHKSE-JOCHJYFZSA-N 443.544 4.522 30 10 IJEE C=CCn1cc2ccc(NC(=O)NCC3(NC(=O)OC(C)(C)C)CCCCC3)cc2n1 1209582503 SBIWYLJBUZSGJZ-UHFFFAOYSA-N 427.549 4.571 30 10 IJEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)ccc1OC 1221923603 GTCSDFBWAOXLBR-IEBWSBKVSA-N 441.503 4.617 30 10 IJEE C=C(C)CN1CCC(NC(=O)NCC2(c3ccc(Br)cc3)CCCCC2)CC1 1226799174 ZQXBJPSDWMCNEB-UHFFFAOYSA-N 448.449 4.991 30 10 IJEE C#C[C@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1F 1229653955 VPKZPTZHOPAPAU-XXBNENTESA-N 427.951 4.755 30 10 IJEE C=CCOc1ccc(CNC(=O)NCCc2cc(Br)ccc2SC)cc1 1248612962 ZLAVEUOPDYYGNQ-UHFFFAOYSA-N 435.387 4.778 30 10 IJEE C=CCN(C(=O)[C@H](OC)[C@@H]1CCOC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1264263998 SVNHZUBCBVPWDF-CXAGYDPISA-N 427.353 4.687 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1nc(C(F)(F)F)cs1 1286279112 STEVOWNTYAYJEJ-GOEBONIOSA-N 433.503 4.802 30 10 IJEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(C)(C)c1cccs1 1286361090 LGJHLHMUCICHCX-GOSISDBHSA-N 438.597 4.926 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(C)(C)c1cccs1 1286399401 GEHRSLFJYAVBFU-GOSISDBHSA-N 436.556 4.669 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1oc(CC)nc1C 1286420784 KHHYNWJKQGWRCR-QGZVFWFLSA-N 447.608 4.501 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C(C)C)C1 1286497074 MLQOCGMDLXEFEU-PXNSSMCTSA-N 448.633 4.501 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1 1286516872 MMNXHQJUDXJZST-YIXXDRMTSA-N 433.644 4.870 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 1286556388 CKPMDQCRRLATDN-DNVCBOLYSA-N 426.458 4.616 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(OC)nc1 1286565686 HBZFWOOWYPYWIQ-QGZVFWFLSA-N 437.613 4.986 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H](CC)OC 1286565979 IVOJXZGARVJXRJ-OAHLLOKOSA-N 437.382 4.544 30 10 IJEE C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(C)(C)OC(C)(C)C1 1286588814 KTLYHPPCJFWEDP-UHFFFAOYSA-N 437.357 4.817 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2cc(F)cc(F)c2C1 1286633779 LXHPADRXNVDICA-VQIMIIECSA-N 436.934 4.790 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286668859 VRQBZCGMIAFUHX-AHRSYUTCSA-N 448.995 4.524 30 10 IJEE C=CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)c1ccccc1 1286680065 AIEVBEZGNPOJAM-DBVUQKKJSA-N 434.506 4.747 30 10 IJEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1286724484 NEKWBOGPFNFQFO-OXQOHEQNSA-N 432.559 4.999 30 10 IJEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(OC)CCC(C)CC1)C1CC1 1286734469 ABSWCIRUAOXECH-UHFFFAOYSA-N 425.533 4.603 30 10 IJEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C(C)(C)C)C1 1286798917 NLUPYEUMTKAGFE-QFIPXVFZSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(C2CCCC2)nnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 1286831658 BSUOJTITJKELRT-NRFANRHFSA-N 439.673 4.956 30 10 IJEE COC(C)(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(CC#N)CC1 1299476445 HBXREIWMNPWNPO-UHFFFAOYSA-N 449.555 4.672 30 10 IJEE C#C[C@H]1CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1300010016 ZELPFXAVRICMQX-RXFWQSSRSA-N 444.575 4.812 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H](Cc1ccccc1)OC 1300284285 QXDHVZHNYJWYMT-KNQAVFIVSA-N 448.636 4.991 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO[C@@H]1C(C)C 1300648908 QQIONCBBMDKQOP-NFBKMPQASA-N 435.547 4.503 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CCCN(C)C(C)C 1300817320 HUYCKOBDONVZLU-HSZRJFAPSA-N 446.064 4.946 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](Oc2ccccc2)C1 1300885881 SUSAMQPXGHPDHT-SFLYRZDNSA-N 438.616 4.896 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](c3ccc(CC)cc3)C2)nnc1C(C)(C)C 1300895298 OPTWNJONJRWWNL-VJBWXMMDSA-N 438.616 4.697 30 10 IJEE C=C(C)CN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCN(C(C)C)C1 1300920432 ABKMJNDNVZWVOU-JOCHJYFZSA-N 434.632 4.804 30 10 IJEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1300969803 DXJGIOCBDNVPGX-OJAHFUOMSA-N 430.618 4.801 30 10 IJEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[C@H]2CC)CC1 1301063984 LYBYGFNXKUUBFY-WOJBJXKFSA-N 442.007 4.844 30 10 IJEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCCN(c2nccs2)CC1 1301229008 DCBCPMUWGWVSDR-UHFFFAOYSA-N 436.629 4.593 30 10 IJEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2F)cc1Cl 1301277088 BYOSVMOVFQUDCE-LJQANCHMSA-N 428.822 4.746 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCOCC1CCOCC1 1301278462 MMYUBTSISPDYIT-GOSISDBHSA-N 444.645 4.587 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)CN1CCCCC1 1301280149 DIGXDQODQTYFME-QGZVFWFLSA-N 446.437 4.760 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCO[C@@H]1C(C)C 1301347071 NZOIFHHNLLFFHU-LADGPHEKSA-N 431.584 4.902 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](OC)C(C)C 1301379152 CAZFHQZPNBPWFO-SFHVURJKSA-N 437.357 4.696 30 10 IJEE C#CCN(C(=O)/C=C/c1ccc(F)c2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1 1303655728 JNBMSLXMJMHNTB-ACCUITESSA-N 436.527 4.853 30 10 IJEE CC(F)(F)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 1303933077 FSFAYHDMFGFHLD-KNQAVFIVSA-N 429.515 4.810 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)c(C)o1 1304149583 GGFBMSHYTRESMY-ZYYUNJBMSA-N 447.583 4.949 30 10 IJEE C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O 1312644536 BXDZPQMJZOBANV-LJQANCHMSA-N 432.351 4.887 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1313001161 IBNQOBZIWHIXMG-PSWRPDDJSA-N 449.636 4.615 30 10 IJEE C#CCN1CCC[C@H](NC(=O)N(CC)Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 1313281211 DBOZXGWTMYNASM-IBGZPJMESA-N 433.474 4.595 30 10 IJEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 1325269816 WHBQPSZEHFLTBQ-RUZDIDTESA-N 441.579 4.706 30 10 IJEE C=CCOC(=O)c1sc(NC(=O)c2csc(C(C)(C)C)n2)c(C(=O)OCC)c1C 1349735354 YQKOWDLFRUOCHQ-UHFFFAOYSA-N 436.555 4.582 30 10 IJEE Cc1cc(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)nn1-c1cccc(C#N)c1 1357299184 FMHQGOBQTHVKSM-XMMPIXPASA-N 440.478 4.742 30 10 IJEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1358922270 YYNGAZHFLYBPMV-MOPGFXCFSA-N 432.515 4.600 30 10 IJEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2ccc(Cl)s2)C1 1358933383 RPIGOSOZKRLMGG-IBGZPJMESA-N 441.000 4.770 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1359099684 RLDVHOGIACSHJH-VTZPFEBOSA-N 437.632 4.563 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1359109021 MMGDHUAUSNCSMK-SFTDATJTSA-N 434.632 4.976 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(C)(C)OCC 1359116350 IDJLHMBTIXGUEZ-SFHVURJKSA-N 435.613 4.568 30 10 IJEE C=CC1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCSCC3)cc2)CC1 1359174260 ZBXKZDBKKVXMFR-LJQANCHMSA-N 425.646 4.796 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359189424 KRPLNQBNVKHAPM-RTWAWAEBSA-N 445.007 4.509 30 10 IJEE C=CCCOCCn1c(-c2ccc(Br)s2)nnc1N1CCCC2(CC2)C1 1359223701 TXDSRHHJBJPNBE-UHFFFAOYSA-N 437.407 4.742 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC[C@H]1CCO[C@@H](C)C1 1359254458 SEPYEAFFFXAAQJ-SFTDATJTSA-N 447.583 4.747 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1359257636 QDIXLJBUWZJNOH-TUACAJSNSA-N 449.599 4.789 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(Cc2ccsc2)n1Cc1ccc(OC)nc1 1359259150 NBIZFFVREFCIKC-UHFFFAOYSA-N 431.565 4.575 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCc1c[nH]nc1C 1359262623 ZQZVWQNKAYYKAG-UHFFFAOYSA-N 443.580 4.735 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1nc(C)c(C)s1 1359275924 LCECQWGFWQHFLL-UHFFFAOYSA-N 444.608 4.621 30 10 IJEE C#CCN(C(=O)Cc1ccc(F)c(Cl)c1)[C@H]1CCOc2ccc(Br)cc21 1360311697 ZNNTWGSLFBYIOV-SFHVURJKSA-N 436.708 4.770 30 10 IJEE N#C[C@@H]1CCC[C@H](OC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 1436647641 CAFORDLAHIWUCW-UZLBHIALSA-N 441.325 4.869 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1ncc(-c2ccccc2)[nH]1 1442316465 YYCSZFUFYUSGDR-RBUKOAKNSA-N 426.561 4.894 30 10 IJEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(Cc4ccccn4)ccc3C)n[nH]2)c1C 1448404079 BVEKJLNZGFBVFT-UHFFFAOYSA-N 426.524 4.623 30 10 IJEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)[C@H]1CCc2ccccc21 1459342909 GPAHDXHSGFIOIY-SANMLTNESA-N 437.543 4.809 30 10 IJEE C=CCN(Cc1coc(-c2c(F)cccc2F)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1459953312 PSOHFSUOJCICGY-NRFANRHFSA-N 426.463 4.782 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 1465455516 BBBLCBLKBDBOET-FSSWDIPSSA-N 430.589 4.829 30 10 IJEE CCCc1c(NC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 1466215453 BXQFDJBPDPBTPY-MRXNPFEDSA-N 437.931 4.939 30 10 IJEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 1466228388 WAMZJVAWXSXIFU-SFHVURJKSA-N 426.479 4.574 30 10 IJEE CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)sc2C1 1466331521 FIEJBUVHRMWGNS-IBGZPJMESA-N 437.613 4.515 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCCc2ccccc21 1468985926 OZMALCJKKYXVPY-YADHBBJMSA-N 435.955 4.558 30 10 IJEE C=CC[C@H]1N(C(=O)NCCCC(=O)N[C@H](C)c2ccc(OCC)cc2)CCCC1(C)C 1469281041 HHYRPWSDBBKBEI-DENIHFKCSA-N 429.605 4.819 30 10 IJEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)CC1 1477946646 APXSQBQMHUGFCG-VWLOTQADSA-N 442.538 4.949 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)NCc2ccc(Sc3ccccc3)cc2)CC1 1478257936 GEYDZQYKKDKIPW-UHFFFAOYSA-N 428.561 4.741 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CCN1CCCCC1 1507519137 YDBJJEFYPQYFNQ-WOJBJXKFSA-N 444.023 4.632 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1CC1=CCCOC1 1507661546 YYRIXFXTXPMFJU-UHFFFAOYSA-N 436.968 4.623 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCSC1(C)C 1507663750 AUUDHLPZHUJMQN-QGZVFWFLSA-N 443.016 4.602 30 10 IJEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1507787151 CJDKGFRNMZXPJS-ROUUACIJSA-N 437.426 4.703 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H]1CCCOC1 1507813838 BMDLBHGOCHMFNQ-QGZVFWFLSA-N 433.394 4.845 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C)o2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1507816888 ZBTCMEVEVYQVCQ-QHCPKHFHSA-N 449.599 4.631 30 10 IJEE C=CC1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1507902484 KDMMRUASKYOYEQ-UHFFFAOYSA-N 443.680 4.693 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1507909305 ZXOUOHYSLIMBQQ-MBSDFSHPSA-N 426.605 4.937 30 10 IJEE C=CC[C@@H](Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccco2)CC1)c1ccccc1 1507924806 UACYPOAFEWSPIA-IRLDBZIGSA-N 447.583 4.707 30 10 IJEE C=CCN(c1nnc(-c2ccccc2F)n1CCCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1507990603 RDNCSXNYCFXMDC-WOJBJXKFSA-N 425.596 4.997 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@](C)(O)c1ccco1 1508015231 OEMWZHHKYMBWLP-XDHUDOTRSA-N 438.597 4.811 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc1 1517879476 QIBXZXVSVRQTRH-UHFFFAOYSA-N 427.407 4.936 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCOc2ccc3c(c2)NC(=O)CC3)c1 1520606640 KPBGCHXOPBUNRM-UHFFFAOYSA-N 438.527 4.945 30 10 IJEE CCS(=O)(=O)c1ccc(CCC(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)cc1 1524019914 DKDNZMAPCLSHII-HUUCEWRRSA-N 430.595 4.670 30 10 IJEE C=CCC(CC=C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 1524276434 FNGVNBXDHAOPMJ-CAPFRKAQSA-N 426.582 4.905 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1524659785 ZYFDXRWLPLYXHU-FQEVSTJZSA-N 428.451 4.912 30 10 IJEE C#CCN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 1529074134 CYJCTMICHAIWMW-UHFFFAOYSA-N 442.519 4.785 30 10 IJEE CCOC(=O)c1c(NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)c(C#N)cn1CC 1529321787 GPEYYWJMCBULIY-UHFFFAOYSA-N 428.448 4.617 30 10 IJEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1529665577 FRAWEIKWJYIZHM-INIZCTEOSA-N 430.957 4.518 30 10 IJEE COc1ccc(C[C@H]2CCCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 1531158834 DKYRNLMRUUMEOT-OAQYLSRUSA-N 430.504 4.976 30 10 IJEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cc(C(CC)CC)no1 1538970132 ACQFKCHGARHEJR-SJORKVTESA-N 439.535 4.955 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCSC1(C)C 1538984729 OTKXQMXCMPTVOW-STQMWFEESA-N 439.448 4.759 30 10 IJEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1539078337 ZAIKDIMNZXLDTG-SANMLTNESA-N 447.671 4.815 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC1CCC(F)(F)CC1 1539161668 KJGQYDYGPBVVBF-UHFFFAOYSA-N 432.515 4.637 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCOC(C)(C)[C@H]1C 1539624517 TWFHTHKNPIGPMC-UWVAXJGDSA-N 430.980 4.583 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCC2(C1)OCCO2 1539650787 VNILKOQLBJOTRJ-RBUKOAKNSA-N 444.551 4.503 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1Cc1ccc(-n2ccnc2C)nc1 1539659739 KGRIWZATUQBRAD-UHFFFAOYSA-N 427.556 4.593 30 10 IJEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=C)c1ccccc1 1539668701 CNLWLNCTYLOWBI-UHFFFAOYSA-N 443.599 4.568 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCCO1 1539785880 FXJHEYJVPUHTNN-CQSZACIVSA-N 443.748 4.605 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1539896046 GDDUDNNZPYLHDC-QFIPXVFZSA-N 441.595 4.519 30 10 IJEE C=CC[C@@H]1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 1540090857 YAXRNZNFAONLPG-MRXNPFEDSA-N 432.442 4.761 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)c2cccs2)C1 1540893796 KBWJSUSHYKDUCB-IBGZPJMESA-N 440.588 4.829 30 10 IJEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1)c1ccsc1 1552749719 HVACIYATUFFTCL-NRFANRHFSA-N 434.613 4.808 30 10 IJEE N#Cc1cc2c(nc1S[C@@H]1CCN(c3cccc(OC(F)(F)F)c3)C1=O)CCCC2 1559354816 FFJOIDBMPIOBDY-GOSISDBHSA-N 433.455 4.628 30 10 IJEE C=CCOc1c(Br)cc(CN[C@@H](C)[C@@H](O)c2ccc(C)cc2)cc1OCC 1560515349 URQUECZKOOYUGU-HRAATJIYSA-N 434.374 4.933 30 10 IJEE C#C[C@H](NS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(Br)c1)C(C)(C)C 1561617335 GCWRNSNBTSWFAP-SFHVURJKSA-N 440.334 4.707 30 10 IJEE C#C[C@@H](NC(=O)Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(Br)cc1 1562351756 HWPMZNNKRWHWHO-MRXNPFEDSA-N 445.317 4.527 30 10 IJEE N#Cc1sc(NC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)nc1Cl 1562924379 CJHHZNRQSCKSBD-LLVKDONJSA-N 429.702 4.939 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl 1562929338 QRDQPIJGNVKXDO-UHFFFAOYSA-N 440.681 4.897 30 10 IJEE Cc1cc(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)ncc1C#N 1563136341 HTSWHIQICZZPOT-JOCHJYFZSA-N 434.883 4.597 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 1567590419 YMCIMUVEBZQUAY-KSSFIOAISA-N 443.371 4.526 30 10 IJEE Cc1cc(C(=O)Nc2ccc(Br)c(C#N)n2)ccc1NC(=O)OC(C)(C)C 1584530129 CKUBIIBIEIWGCD-UHFFFAOYSA-N 431.290 4.624 30 10 IJEE Cc1cc(Br)c(F)cc1NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1585576695 APADZMGJNIAMPG-OAHLLOKOSA-N 442.329 4.812 30 10 IJEE C=CCNc1ncc(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)s1 1586349357 XZGZHLIAGGMBIX-UHFFFAOYSA-N 434.443 4.877 30 10 IJEE Cc1cc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)ccc1NC(=O)OC(C)(C)C 1586898088 DSMMZGPJSVSQGE-UHFFFAOYSA-N 431.496 4.960 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCCCCC[C@H]21 1587813288 LDUAOPBUXCSMMT-SJLPKXTDSA-N 430.394 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC1=CCCCC1 1589163823 NEWOYTDWBBSURW-OAQYLSRUSA-N 428.378 4.918 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCSC(F)(F)F 1589242840 LVEHAPGPFCEZFE-HXUWFJFHSA-N 438.519 4.719 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)[C@H](C)c1sc(CC)nc1C 1589558092 JSGPDQWEGVCKFZ-MMOPVJDHSA-N 429.634 4.737 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](C(F)F)C1 1593600466 KRSUXBRQRTXCBT-AWEZNQCLSA-N 441.320 4.774 30 10 IJEE C=C(Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC)c1ccccc1 1593788581 AQCMTOBHEPIZFC-UHFFFAOYSA-N 425.577 4.562 30 10 IJEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCC(CN2CCCCCC2)CC1 1594635594 WVDJTSPCOGMIDA-UHFFFAOYSA-N 436.648 4.713 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)c1ncc(C)s1 1595115220 GLVIZBWJQOWYFG-WIYYLYMNSA-N 437.613 4.933 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@H]1CCCO[C@H]1C(C)C 1595250530 FVJCPYFALXGSMQ-OFNKIYASSA-N 437.588 4.563 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12)C(=O)OCC 1596777573 FTSBWRPOHUDKIV-OAQYLSRUSA-N 426.875 4.845 30 10 IJEE C=C/C=C\CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC=C)c2ccccc2)c1 1596830823 VLYKFQSGIWFKEZ-WAYWQWQTSA-N 430.957 4.583 30 10 IJEE C=CC[C@]1(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)CCCN1C(=O)OC(C)(C)C 1602877502 ZFBWJBOBUYMWAM-RUZDIDTESA-N 430.564 4.953 30 10 IJEE Cc1cc(C)c(C#N)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 1617235010 GWDHJTSINPEKAK-UHFFFAOYSA-N 425.467 4.743 30 10 IJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 1623331238 LDZHGHQWOSQLMA-UHFFFAOYSA-N 448.588 4.692 30 10 IJEE C=CC1(CC(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)CN(C(=O)OC(C)(C)C)C1 1625220725 OKPQPLOSVUKACM-IBGZPJMESA-N 427.589 4.670 30 10 IJEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC)c2ccc(Cl)c(Cl)c2)c1 1625856057 VIAIKEDIVYMYJT-IBGZPJMESA-N 441.380 4.729 30 10 IJEE C=CCOc1ccccc1CN(C(=O)Cn1cnc(C(C)(C)C)c1)c1ccc2c(c1)OCO2 1641328446 ARJYJCYUGUAQPG-UHFFFAOYSA-N 447.535 4.708 30 10 IJEE Cc1ccccc1CN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C1CC1 1641608702 CASVYHKVNORBDA-UHFFFAOYSA-N 426.564 4.936 30 10 IJEE C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCc2cccnc2)cc1 1653086092 HAQLPJUCODWMGK-KRWDZBQOSA-N 434.927 4.865 30 10 IJEE C=CCOc1c(Br)cc(CNCc2nc(C)c3ccccc3n2)cc1OC 1656290380 JDXSQDRLBXNZNA-UHFFFAOYSA-N 428.330 4.564 30 10 IJEE C=CCOc1c(Br)cc(CNCC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1OC 1658573655 FUVUYQUGRNWFPR-XJKSGUPXSA-N 438.284 4.612 30 10 IJEE C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 1659179959 GDSSVGFMICOTQA-DYVFJYSZSA-N 446.935 4.658 30 10 IJEE N#Cc1ccc(Oc2ccc(NC(=O)N3CCN(Cc4ccccc4Cl)CC3)cn2)cc1 1665848794 AQVZFZUAAWQWOI-UHFFFAOYSA-N 447.926 4.749 30 10 IJEE C#CCN(C(=O)Nc1ccc(C(C)(C)C)nn1)[C@@H]1CCOc2ccc(Br)cc21 1669345864 UATWDLLGLGQCMC-MRXNPFEDSA-N 443.345 4.528 30 10 IJEE N#Cc1cc(NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)ccc1OC(F)(F)F 1670745303 BSSIWMRKEOTJRZ-ZDUSSCGKSA-N 438.837 4.758 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)C1)c1ccc(Br)cc1 1674031090 PBXNVGGVSXHAKO-REWPJTCUSA-N 437.337 4.773 30 10 IJEE C=CCc1cc(CNC(=O)NC[C@H](C)c2ccc(Br)cc2)cc(OC)c1OC 1676275042 MWWUFSHUESJSMZ-HNNXBMFYSA-N 447.373 4.798 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(C)C)cc1 1677148987 NSSZMTWTSVBRTI-FSSWDIPSSA-N 445.604 4.656 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@H]1CCc2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 1680634004 WHLBIQXOOWWQHB-UXHICEINSA-N 431.458 4.965 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1ccc(CC)s1 1689972364 MJYBZVCORLAEMJ-UHFFFAOYSA-N 443.016 4.993 30 10 IJEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2CCCC[C@H]2C1 1690157293 CRSKDPKFZMLPDZ-ZCNNSNEGSA-N 442.604 4.940 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1690236511 NWNZZIJPODYBHV-GIVPXCGWSA-N 430.980 4.614 30 10 IJEE C=C(C)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](CN(CC)CC)C1 1690279542 OUWNCQRGSANPSO-SFHVURJKSA-N 446.437 4.760 30 10 IJEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690281437 UREHGILFYRZPRN-SFHVURJKSA-N 443.567 4.744 30 10 IJEE C=C1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCCSC2)CC1 1690384452 RQFMSAUBZVPMNY-GOSISDBHSA-N 430.643 4.879 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1690412549 VRGNPDGCKKXPFJ-RUZDIDTESA-N 438.547 4.528 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 1690415373 JISZYNVKGYUTMI-NQIIRXRSSA-N 430.980 4.728 30 10 IJEE C=CCCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CC1COC(C)(C)OC1 1690453708 GTHPAPCVHSYYFD-UHFFFAOYSA-N 449.599 4.993 30 10 IJEE C=CCCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCCN(C(C)=O)CC1 1690455422 ICAWVHXHRYTZDA-UHFFFAOYSA-N 436.387 4.667 30 10 IJEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1690474004 NZJFQBBVUJOHKL-QZTJIDSGSA-N 448.409 4.786 30 10 IJEE C=CCCOCCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@H](OC)C1 1690503055 NYYKLSJEEFVGMQ-IBGZPJMESA-N 442.560 4.631 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H]1CC 1690593142 UXPNBTXANLOYFJ-VQTJNVASSA-N 446.599 4.680 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2cccs2)C1 1690712082 NISJZYVMQUHDJR-FQEVSTJZSA-N 438.597 4.559 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(C)(C)C)CC1 1695015438 GDVQDVNPZIAFIS-UHFFFAOYSA-N 436.604 4.528 30 10 IJEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1696756203 DICNYGAEXVZBCU-IHPCNDPISA-N 447.505 4.973 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCN(C)C1CCCCC1 1705505786 NXSXANPVWYEJEG-FQEVSTJZSA-N 425.646 4.601 30 10 IJEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1705525820 VYDCGPXGXPYMGJ-HNNXBMFYSA-N 444.352 4.796 30 10 IJEE C#CCCCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705528380 DRJMRJCYEXKJBS-RPWUZVMVSA-N 436.600 4.931 30 10 IJEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C)=C(Br)C1 1705728006 PDRIGZALDWHPCZ-UHFFFAOYSA-N 426.362 4.736 30 10 IJEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(Cl)c(OC)c2)CC1 1705781727 HAKKXZAYNSHVGX-HXUWFJFHSA-N 430.980 4.827 30 10 IJEE C=CCCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](COC)C1 1705814649 VWFURXYCXCRBJH-CQSZACIVSA-N 425.396 4.598 30 10 IJEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1F 1705832661 DXIKDARBGVURAO-TZIWHRDSSA-N 430.568 4.565 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC2CCCC2)n1Cc1nccn1C(F)F 1705868553 SCDDLVWKYBEIRB-UHFFFAOYSA-N 432.544 4.905 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705871113 YHGLJAWQQBOGNL-KRWDZBQOSA-N 445.489 4.754 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CC(F)(F)F)C1 1705917021 QEHLSROQWHEVCP-INIZCTEOSA-N 449.502 4.721 30 10 IJEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)N2CCC(C)CC2)c2ccccc2n1 1707251073 BQFUEUOCYUAKGN-CTNGQTDRSA-N 445.615 4.518 30 10 IJEE CC[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1 1709246075 HSZFGIFERKZHFX-REHUZNOOSA-N 425.552 4.742 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(N(C)C)CCCC1 1722502438 UTHSVAFNSGOFRA-IBGZPJMESA-N 429.584 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1cc(Cl)c(OCC)c(OC)c1 1722513313 VFMUHPPBLSSGFI-UHFFFAOYSA-N 441.963 4.852 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)s2)CC1 1722572223 MVTUINVEURRGRA-IBGZPJMESA-N 443.617 4.925 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCCOCC1 1722587237 HYIUNPYCPFCMNW-UHFFFAOYSA-N 428.577 4.572 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1722605208 YXRKOIBZLVQVMC-UHFFFAOYSA-N 427.568 4.501 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1CCN(CCC)CC1 1722634810 SFWKVGPNYZIYGL-SFHVURJKSA-N 432.012 4.816 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1722654854 XJCDHBRPYBDBHJ-DNVFCKCGSA-N 440.588 4.534 30 10 IJEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1740593088 RJSKPCJWGNKLEB-VXKWHMMOSA-N 437.607 4.512 30 10 IJEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740714186 SNHCJMYOINXXMH-CALCHBBNSA-N 441.551 4.587 30 10 IJEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC[C@@H](SC)C1 1740721632 ORMMJSOCXZGFRA-OAQYLSRUSA-N 444.670 4.562 30 10 IJEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC2(CCCCCC2)C1 1740777638 SKYQQAQYFZZFOP-UHFFFAOYSA-N 437.588 4.653 30 10 IJEE C=C(C)Cn1c(-c2cccn2C)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1 1740780390 NTLAAOSVUXFSJB-OAHLLOKOSA-N 426.362 4.746 30 10 IJEE C=C(C)COCCn1c(CC2CCCC2)nnc1N(C)Cc1nc2ccccc2s1 1740795825 FWLBEDFDVJJIMG-UHFFFAOYSA-N 425.602 4.850 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(C)(C)COCC)CC1 1740820944 XVPMQVNBTXIZNH-UHFFFAOYSA-N 442.604 4.960 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740845051 CFDGTAWGAWFVDF-UHFFFAOYSA-N 446.599 4.580 30 10 IJEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740851345 TWYVEOQRYUCCMW-FQEVSTJZSA-N 429.653 4.554 30 10 IJEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740868879 VQKNHLVAJYXEPQ-PMACEKPBSA-N 438.551 4.870 30 10 IJEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(c2cccc(OC)c2)CC1 1740885114 YBJKZVSVJSXJCZ-UHFFFAOYSA-N 447.583 4.634 30 10 IJEE C=CCN(C)c1nnc(-c2ccccc2Cl)n1CCN(CCC)C(=O)OC(C)(C)C 1740895339 GPAVHJZSBBZQNC-UHFFFAOYSA-N 433.984 4.868 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC1CCC(OC)CC1 1740924262 LHSOYXZPVZCSRL-UHFFFAOYSA-N 437.613 4.723 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1csc(-c2ccco2)n1 1740929012 DEOLMFIYYWIFPG-UHFFFAOYSA-N 433.537 4.897 30 10 IJEE C#CCCCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[C@H](C)C1 1748706229 FIGKXXNKOCXPTK-INIZCTEOSA-N 431.378 4.756 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCN1CCCC(C)(C)C1 1748771234 JLSOBVVTGYXCGZ-UHFFFAOYSA-N 448.640 4.568 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@H](c1ccc(CC)cc1)N(C)C 1749072427 NJEYMOBRIHMQDG-SHQCIBLASA-N 433.644 4.868 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1749118988 LYEFBYCNVOOJRD-LEEZEASISA-N 449.599 4.692 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCc1ccccc1C 1749147198 CTXDRUWUVIRANQ-UHFFFAOYSA-N 442.405 5.000 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](CC)OC 1749148642 ALLRCFIBGXLXJL-HNNXBMFYSA-N 425.346 4.674 30 10 IJEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(OC)cc1OC)CC1CC1 1749189573 LTUCKKAECWQVAC-OAQYLSRUSA-N 426.561 4.530 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC=C(C)CC1 1749215784 FNFGYXVTXTUXGZ-UHFFFAOYSA-N 435.341 4.596 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCC(=O)N[C@H](C)CC 1749474460 VLQZLMSLJCJNOW-MRXNPFEDSA-N 441.576 4.740 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCO[C@H]1C(=C)C)C1CC1 1749527667 MWDSJRJGZGKCHT-VGSWGCGISA-N 428.964 4.647 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1CC1(N(C)C)CCCC1 1749536211 DEMDIVDSGBQNNA-UHFFFAOYSA-N 446.643 4.949 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC(C)(C)C)n1Cc1nccn1C(F)F 1749546825 FLFNLOACLRQHCM-UHFFFAOYSA-N 432.494 4.838 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CCc2ccccc2)n1C[C@H]1CCOC[C@@H]1C 1749552921 KQEJAPPJDMCKTP-RBBKRZOGSA-N 436.625 4.990 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2cc(F)cc(F)c2C1 1749747231 XBOLOXALIHLYKM-UHFFFAOYSA-N 447.942 4.754 30 10 IJEE C[C@H]1CCCCN1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H](C)CC#N 1752128863 AAQTXKNJZJPDGR-MSOLQXFVSA-N 446.546 4.549 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCCN1CCCC[C@H]1C 1760125392 YUJUMRAPDNJKBE-WOJBJXKFSA-N 444.023 4.623 30 10 IJEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1760133065 UUGQBUZXOKNQKK-PKTZIBPZSA-N 449.643 4.848 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(CCOCC)CCCC1 1760216696 XXDLYRZKIJTCHT-UHFFFAOYSA-N 443.595 4.876 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1nc2cc(Cl)ccc2s1 1760237073 UURHHLKBCDFUEL-UHFFFAOYSA-N 427.986 4.701 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(SC)CCN(C)CC1 1760333741 HKCLAGREXIAPMZ-UHFFFAOYSA-N 438.645 4.656 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1760409015 WSOKQPSFWLBCJM-SFHVURJKSA-N 439.995 4.843 30 10 IJEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1760422109 ANXASQTVZQSJON-UHFFFAOYSA-N 435.572 4.928 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1760425918 ZKNCAJBZLHMQJU-GRPUESGBSA-N 430.618 4.811 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1CC1CC(F)(F)C1 1760499582 CVWXEIVGONWATN-UHFFFAOYSA-N 428.483 4.827 30 10 IJEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(Cc1c(F)cccc1F)C1CC1 1760507262 SDMRVFWPNJCRDG-UHFFFAOYSA-N 448.315 4.679 30 10 IJEE C[C@@H](C#N)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCCC1 1760697966 ADVLLMRWIOVPSU-SFHVURJKSA-N 447.052 4.696 30 10 IJEE COCCC(C)(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@](C)(C#N)C1 1769526586 GKPZUJUGBVLCRZ-HSZRJFAPSA-N 447.530 4.739 30 10 IJEE COc1cccc(NC(=S)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c1 1857811726 ZNDWEMIGFDTWQP-XYGWBWBKSA-N 427.533 4.868 30 10 IJEE CCCCCCCCCOc1cccnc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1858750068 JQSKTQYTXVLOAT-SFHVURJKSA-N 437.540 4.834 30 10 IJEE C=CCOc1ccccc1OCC(=O)Nc1cc(C(=O)OC)ccc1NC1CCCCC1 1859474271 FXBVUSZSLBYXFB-UHFFFAOYSA-N 438.524 4.800 30 10 IJEE CCOc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3C#N)oc2c1 1859770010 CAGAAVXPEQSPBS-UHFFFAOYSA-N 440.455 4.991 30 10 IJEE Cc1ccc(/C=C/C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C#N)cc2)cc1 1860912456 CJHOQSKPCXRUJL-YZGDDWERSA-N 448.526 4.727 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 1861461799 UVBRZVRVRWSANJ-QHCPKHFHSA-N 427.564 4.819 30 10 IJEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 1861888837 MKGRZTUWAWMAFC-UHFFFAOYSA-N 436.943 4.592 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1862384344 RYKYDCRINAYMBM-KRWDZBQOSA-N 435.263 4.890 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2c(F)cc(F)cc2F)[C@@H]1c1ccc(N(CC)CC)cc1 1862463868 YFCWVSGFSYENCD-NRFANRHFSA-N 444.453 4.714 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)c(C)c2)[C@@H]1c1ccccc1F 1862502121 RNPCPEJLLRVOQN-QFIPXVFZSA-N 442.506 4.583 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H](C)CC)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862520082 ZSVUJOAVZCRYSD-GAJHUEQPSA-N 436.552 4.918 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3cccc(Br)c3)=C(O)C(=O)N2C2CC2)cc1 1862525420 BSPJIJPTBMRAJE-IBGZPJMESA-N 442.309 4.589 30 10 IJEE CCc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2c(Cl)cccc2Cl)cc1 1862538495 IHLOSVFDBKBXRR-BUXKBTBVSA-N 434.319 4.515 30 10 IJEE CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCC3)[C@H]1c1ccccc1 1862543214 ASGOCSNAMKSSGX-RUZDIDTESA-N 446.591 4.876 30 10 IJEE Cc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCc2ccccc2)c1 1862554912 NVNAZCZFBOYZLD-DEOSSOPVSA-N 426.516 4.788 30 10 IJEE CC(C)c1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 1862660564 JVYNFSIILZWJQS-NRFANRHFSA-N 426.944 4.603 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCc2cccs2)c1 1862747629 UAUXYFPBGFMCAY-OAQYLSRUSA-N 448.500 4.786 30 10 IJEE N#Cc1cccc(N2C(=O)C(Nc3cccc4c3CCCC4)=C(c3ccccc3F)C2=O)c1 1862927644 YTNBTYUHDPUKJP-UHFFFAOYSA-N 437.474 4.973 30 10 IJEE CCOc1ccc(N2C(=O)C(Nc3ccccc3C#N)=C(c3cc(C)ccc3C)C2=O)cc1 1863022641 XZKLHVPXKQAMPC-UHFFFAOYSA-N 437.499 4.970 30 10 IJEE COc1ccc(C)cc1N1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863092787 ODEWBOLJWCYODZ-UHFFFAOYSA-N 441.462 4.719 30 10 IJEE COc1ccc([C@@H](C)N2C(=O)C(Nc3ccccc3C#N)=C(c3ccc(F)cc3)C2=O)cc1 1863151773 JZLWCCJJEFOOBF-MRXNPFEDSA-N 441.462 4.659 30 10 IJEE CCOc1ccc(-c2nc(Nc3ccccc3C#N)cc(N3CCOCC3(C)C)n2)cc1 1868534340 QSRHWFIUFJZPJY-UHFFFAOYSA-N 429.524 4.773 30 10 IJEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C 1868991743 GWDPBBWUHWMLPU-AREMUKBSSA-N 437.584 4.801 30 10 IJEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2cccc(Oc3ccccc3)c2)cc1Cl 1870153946 KOPVHNIVZFRGIJ-UHFFFAOYSA-N 445.866 4.846 30 10 IJEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CNc1ccc(C)cc1C 1871159749 QMOUYFUFTMFLPY-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CNc1ccccc1C 1871198580 XBWQWIYJHKAIRC-UHFFFAOYSA-N 431.536 4.589 30 10 IJEE Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H]3COc5ccccc5O3)CO4)C2=O)cc1 1871352742 ANZHXWXVQFZEFN-VPCUTTBHSA-N 441.483 4.603 30 10 IJEE Cc1c(OCC(=O)Nc2ccc(F)cc2)ccc2c1O/C(=C\c1ccc(N(C)C)cc1)C2=O 1871456628 OCMAYDYWEIDCKM-UCQKPKSFSA-N 446.478 4.834 30 10 IJEE C=CCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N(CCCC)CCCCCC)n1 1871693421 DGRBRYOQFCBZMH-UHFFFAOYSA-N 425.625 4.888 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1)S(=O)(=O)C1CC1 1871795445 LHQVYDQJHAFIQA-LJQANCHMSA-N 439.364 4.653 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1ccccc1)C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C 1872127777 UHGLWXVPNLJSGH-QFIPXVFZSA-N 428.598 4.842 30 10 IJEE C=C(C)CN([C@@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 1872226769 BOLIIIFPSKQLRE-SFHVURJKSA-N 434.989 4.859 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(OCC)cc1 1872470769 LNBGDBQKDCEWQK-QHCPKHFHSA-N 444.597 4.632 30 10 IJEE Cc1cc(OCC(=O)[C@@H](C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1Cl 1872774394 PPQYJSIWXYCZIA-MRXNPFEDSA-N 440.908 4.798 30 10 IJEE Cc1cc(C)c(-c2csc([C@H](C#N)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)c(C)c1 1872786818 SXCASSUYQJSSKN-GOSISDBHSA-N 439.562 4.597 30 10 IJEE COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC(C)=O)cc3)n2)cc1Cl 1872789717 RZYSWUSBVQWWMJ-MRXNPFEDSA-N 426.881 4.887 30 10 IJEE C=CCNC1=C(c2cccc(Cl)c2Cl)C(=O)N(CCc2ccc(Cl)cc2)C1=O 1873127429 OQHDWTFKWUMVHT-UHFFFAOYSA-N 435.738 4.745 30 10 IJEE C=CCSc1nnc(COc2ccccc2OC)n1/N=C/c1ccc(OCCC)cc1 1874290192 NBGUIPBKTKTSPH-LFVJCYFKSA-N 438.553 4.815 30 10 IJEE C=C(C)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(OC)cc1OC 1874371882 WOFRYLPTDQNHIS-LPYMAVHISA-N 428.583 4.692 30 10 IJEE OCCCSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(Cl)cc1Cl 1874379031 XTVQUJKFKYRLLM-FSJBWODESA-N 439.343 4.672 30 10 IJEE COc1cc(/C=N/n2c(SCc3ccccc3)nnc2[C@@H]2CCCO2)cc(Cl)c1O 1874445451 FKUBTJILILRSEX-FZJZADEZSA-N 444.944 4.672 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1/N=C/c1cc(C)ccc1O 1874478181 SOOCNDSBLHTONQ-ZVHZXABRSA-N 437.569 4.556 30 10 IJEE Cc1ccsc1/C=N/n1c(SCC(=O)Nc2ccccc2F)nnc1C1CCC1 1874493602 VRDFYELWVWPYKA-SSDVNMTOSA-N 429.546 4.668 30 10 IJEE CCOc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)[C@H]1CCCO1 1875088268 RQVXVMNRDKUXIE-CSHXORCISA-N 445.855 4.627 30 10 IJEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OC(=O)COC 1875136562 DYYISQHVTGGJML-JXMROGBWSA-N 433.298 4.604 30 10 IJEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CC[C@@]1(C)CCOCc1ccccc1 1892546205 JZMWGFOZLQYOCK-MHZLTWQESA-N 435.417 4.866 30 10 IJEE C=CCC1(Oc2c(N)ccc(F)c2Br)CCN(C(=O)OC(C)(C)C)CC1 1903059992 OIKMOADLQKRPTJ-UHFFFAOYSA-N 429.330 4.895 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCCC[C@H]1CNC(=O)OC(C)(C)C 1922057575 NPLXQFKHYCVCMY-JCYRPKCISA-N 446.632 4.574 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 1986261184 COSNFIWUVGGLFN-MSOLQXFVSA-N 430.511 4.829 30 10 IJEE CC(C)(C)OC(=O)N(c1ccccc1)[C@@]1(C#N)CN(Cc2ccccc2)[C@]2(CCOC2)C1 2038667469 XVOHWEPQDQKVMW-FTJBHMTQSA-N 433.552 4.755 30 10 IJEE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)C1(C#N)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2048811178 GLYUDLVZRZJVDN-RJGXRXQPSA-N 439.600 4.597 30 10 IJEE C=CCN(CC(=C)Br)C(=O)CC[C@@H](CCNC(=O)OC(C)(C)C)C(C)C 2124464792 KMJVVBRYIAIWAG-KRWDZBQOSA-N 431.415 4.877 30 10 IJEE C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1c1ccc(C#N)c(Br)c1F 2133660681 HIQFVHTYZMLAEV-GFCCVEGCSA-N 426.330 4.684 30 10 IJEE COC[C@]1([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2Br)CCCCO1 2146066563 OZFNOQDWVAXLKS-XLIONFOSSA-N 439.350 4.668 30 10 IJEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC(C)(C)CN1c1cc(Br)cc(F)c1C#N 2174813300 UMRHKGLKESRLEX-BLLLJJGKSA-N 440.357 4.978 30 10 IJEE CC(C)(C)OC(=O)Nc1cc(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)ccc1F 2224100130 OELBSDACJSINCZ-UHFFFAOYSA-N 429.301 4.611 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)CC1CC1 2235724008 FTEOJFHQJPQTFD-AZUAARDMSA-N 435.406 4.720 30 10 IJEE CCCN[C@H](C#Cc1ccccc1Br)[C@@H](NC(=O)OC(C)(C)C)C(C)(F)F 2235724861 WDPGFKNWLDEOFL-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)C[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2235730770 PASYUSMMQGUJKX-GGPKGHCWSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#Cc2ccccc2Br)C2(CCCC2)C1 2235733119 TXIKPWVEWJMVIZ-PKOBYXMFSA-N 433.390 4.555 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)C[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2235747736 SGPLNINHMFZMLG-CGBFIWBNSA-N 433.390 4.567 30 10 IJEE CC(C)(C)OC(=O)NCCC1([C@H](N)C#Cc2ccccc2Br)CCCCC1 2235749401 KCUDTZYGIFECFM-LJQANCHMSA-N 435.406 4.993 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]1(O)CCCCN(C(=O)OC(C)(C)C)CC1 2259674946 GJTUBDQNXZRTFD-OZXSUGGESA-N 446.632 4.670 30 10 IJEE CC1(C)OB(c2ccnc(Oc3ccc(Cl)cc3Br)c2F)OC1(C)C 2265862266 LFMPEGZVIBRUPD-UHFFFAOYSA-N 428.494 4.728 30 10 IJEE CC1(C)OB(c2ccc(F)c(C(=O)N(Cc3ccccc3)Cc3ccco3)c2)OC1(C)C 2266976278 CODJWYMRWGBDJF-UHFFFAOYSA-N 435.304 4.561 30 10 IJEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c1 2267226769 NZEZPIZNCAPFNU-UHFFFAOYSA-N 447.306 4.889 30 10 IJEE O=C(C#Cc1ccccc1Cl)c1ccc(I)c(Br)c1 2277784173 PTSHNOCJZRZRTH-UHFFFAOYSA-N 445.481 4.942 30 10 IJEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)c1ccccc1 2281971046 GNKUUHWLAQXQNR-UHFFFAOYSA-N 443.352 4.841 30 10 IJEE CCN[C@H](C#Cc1cccc(Br)c1)C[C@](C)(NC(=O)OC(C)(C)C)C1CC1 2296222784 VXEYSWUCXNQTJX-KNQAVFIVSA-N 435.406 4.862 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)CCN(CC1CC1)C(=O)OC(C)(C)C 2296297379 YCLQJJYXFPEKNK-HXUWFJFHSA-N 435.406 4.816 30 10 IJEE CN[C@@H](C#Cc1ccc(Br)cc1)[C@@H](NC(=O)OC(C)(C)C)C1=CCC=CC1 2296303283 UFKGJTAZCZSEDV-PMACEKPBSA-N 431.374 4.558 30 10 IJEE CC(C)c1ccc([C@@H]2C(=C(O)C=Cc3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 2296776329 LZYQBJCMYUSPSN-XMMPIXPASA-N 445.519 4.668 30 10 IJEE C=CCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=Nc1ccccc1 2297325986 XGSJNCTVUFUYCB-UHFFFAOYSA-N 445.338 4.953 30 10 IJEE C=CCCN(Cc1ccccc1)[C@]1(C(=O)O)CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2305320470 VEMUIUXKFXIDRK-DNRQZRRGSA-N 428.573 4.698 30 10 IJEE CCc1nnc(SCc2ccccc2C)n1N=Cc1cc(Br)ccc1O 2320940796 GKPBFFDHCLFSFP-UHFFFAOYSA-N 431.359 4.792 30 10 IJEE CC(C)[C@H]1C[C@@](O)(C#Cc2ccccc2Br)CN1C(=O)OCc1ccccc1 2321515537 PCWHIYBXAPASMH-GGAORHGYSA-N 442.353 4.599 30 10 IJEE O=[N+]([O-])c1ccccc1Cc1nnc(S)n1N=Cc1cccc(OCc2ccccc2)c1 2322095699 BKAIHSGDLSSXTJ-UHFFFAOYSA-N 445.504 4.527 30 10 IJEE Cc1cc2c(c3c1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)O3)CN(CCc1cccs1)CO2 2322197095 PJTXZYXVRPDTEO-UHFFFAOYSA-N 448.500 4.976 30 10 IJEE CCCCCCCCNC(=O)[C@H](CCCC)NC(=O)C=Cc1ccc2c(c1)OCCO2 2323561497 AZPMQSVCAWZQSY-NRFANRHFSA-N 430.589 4.623 30 10 IJEE CC(=O)Nc1ccc(-c2csc(NN=Cc3ccc(O)c(Br)c3)n2)cc1 2323865410 YPEQKYVFKJSRNS-UHFFFAOYSA-N 431.315 4.683 30 10 IJEE CC(=O)c1ccccc1NC(=O)COc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2325571665 BQTIHXNEPGHBHY-UHFFFAOYSA-N 427.456 4.831 30 10 IJEE CCc1nnc(SCc2ccc(Br)cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 2326619139 QEQOSUAQCXYNJA-UHFFFAOYSA-N 446.330 4.686 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(OC)c(OC)c1 2327175041 NWKIWUIIAODFFG-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE C=C(C)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cn(C)c2ccccc12 2328484380 KLVXIKFVOWDRAW-UHFFFAOYSA-N 446.536 4.819 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC(=O)C(F)(F)F 2331045387 JYZYBVOYVPCXAO-UHFFFAOYSA-N 435.354 4.696 30 10 IJEE COc1ccccc1CC(=O)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2331273843 VSSPCVZXARXRRO-UHFFFAOYSA-N 431.444 4.956 30 10 IJEE CCCCc1nnc(SCc2nc(O)c3ccccc3n2)n1N=Cc1ccccc1C 2331344467 PDEOGGVMCNEXCO-UHFFFAOYSA-N 432.553 4.752 30 10 IJEE CCN(CC)C(=O)CSc1nnc(C(C)(C)C)n1N=Cc1ccc(Cl)c(Cl)c1 2331359031 SOQKEPHWGHWNRT-UHFFFAOYSA-N 442.416 4.725 30 10 IJEE CC(C)Cc1nnc(SCCO)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2331473385 RRYZBRRQQCLSNB-UHFFFAOYSA-N 444.988 4.676 30 10 IJEE CCCOc1ccc(C=Nn2c(CCC)nnc2SCc2ccc(C(=O)OC)o2)cc1 2331648871 SMLXZTLYJSZJAM-UHFFFAOYSA-N 442.541 4.574 30 10 IJEE COc1cc(C(=O)C=Cc2ccc(OC(=O)C(C)C)c([N+](=O)[O-])c2)c(OC)cc1Cl 2331690108 LHNQYWVDBOQOAX-UHFFFAOYSA-N 433.844 4.723 30 10 IJEE CC[C@@H](NC[C@H](C)N(CC)C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2338523353 OJERMUQQSIJOAT-GHTZIAJQSA-N 446.441 4.672 30 10 IJEE CC[C@H](N[C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2363844075 NIQRIRNRUCBNIC-QGDZQMKYSA-N 448.460 4.937 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2ccc(OC)cc2OC)C3=O)cc1 2107503 NWNOWPBQIFIMFN-FSJBWODESA-N 432.428 4.548 30 10 IJEE COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N3)cc1OC 9731773 JXSAGRJGJRGPAN-JOCHJYFZSA-N 430.508 4.620 30 10 IJEE Nn1c(N/N=C/c2ccc(Cl)cc2Cl)nnc1SCc1ccc(Cl)cc1 20527906 AUDTVTAWMBXZPQ-ODCIPOBUSA-N 427.748 4.690 30 10 IJEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(C(F)(F)F)cc3)n[nH]2)cc1 20908346 GBTOUXCLKCVXHQ-WYMPLXKRSA-N 448.474 4.699 30 10 IJEE C#CCOc1ccc(/C=C2/C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)N=C2O)cc1 33417646 VHJWQNNJHDJMTE-XNTDXEJSSA-N 448.784 4.878 30 10 IJEE CCOc1cccc([C@H]2C(C(=O)/C=C\c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)c1 35444168 ANSAXLZDYHSYLI-AHAAGLQNSA-N 440.499 4.658 30 10 IJEE CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 40077117 WHPDEYTVGOKKQS-IBGZPJMESA-N 444.325 4.836 30 10 IJEE C=C(Br)Cn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 40208002 HAHUOMQVQCIPBX-UHFFFAOYSA-N 432.749 4.961 30 10 IJEE COc1ccc(-c2csc(N/N=C\c3ccc(OC)c(OC)c3Cl)n2)cc1OC 169942160 GTGHNOBVLDBPAZ-YVNNLAQVSA-N 433.917 4.944 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(F)c(Cl)c2)[C@H]1c1ccccn1 169993348 VHUNZXFPTVDRKC-QFIPXVFZSA-N 436.870 4.976 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccncc2)cc1 170026167 ALIZQEAMCLXZOM-HXUWFJFHSA-N 427.485 4.783 30 10 IJEE CCCOc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CCCOC)cc1 170032902 CFQOEJKKIMLHDT-HSZRJFAPSA-N 448.519 4.572 30 10 IJEE COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)c1 170065342 ONABLYXUJKVZTR-JOCHJYFZSA-N 435.426 4.752 30 10 IJEE CCN(Cc1ccccc1)C1=C(c2ccc(C)cc2C)C(=O)N(c2ccc(C#N)cc2)C1=O 170097926 MQTHLVPPPGLBJH-UHFFFAOYSA-N 435.527 4.982 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCCO3)[C@H]1c1cccc(OC)c1 170121215 YYMHLHUOMBKZRM-HSZRJFAPSA-N 435.520 4.789 30 10 IJEE CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)CCO4)=C(O)C(=O)N2C2CCCC2)cc1 170214839 SALLFSOGPKECRF-QHCPKHFHSA-N 433.504 4.541 30 10 IJEE COc1cc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)ccc1Cl 170250428 JWSXARZTDHPQMO-FQEVSTJZSA-N 441.842 4.859 30 10 IJEE C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccs4)[C@H]3c3cccc(O)c3)ccc2O1 170256984 DLMCRGJITICRJI-FPTDNZKUSA-N 447.512 4.556 30 10 IJEE CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@@H]2c2ccc(C)o2)cc1C 170301163 VLTDKQHFXBORAR-JOCHJYFZSA-N 433.460 4.784 30 10 IJEE COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1sccc1C 170313031 ZSAZRVVPIPTTAL-FQEVSTJZSA-N 443.565 4.624 30 10 IJEE CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2sccc2C)c1 170316503 ZXVKNMAONDVSQK-HXUWFJFHSA-N 434.517 4.629 30 10 IJEE COc1ccc(CN2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 170473873 MRILAKYWDATFMV-XMMPIXPASA-N 437.536 4.993 30 10 IJEE C=CCN(C[C@H](Cc1ccc(F)c(Br)c1)NCCC)C(=O)OC(C)(C)C 406714299 QMJWEXLYMMCEPK-INIZCTEOSA-N 429.374 4.922 30 10 IJEE CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446627092 DTDWBUANIHLMRA-UHFFFAOYSA-N 433.339 4.792 30 10 IJEE Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 463348766 NPYPKYPPYLGZFB-UHFFFAOYSA-N 449.539 4.902 30 10 IJEE CN1CCC[C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccs1 478395437 SPQTXKDDKCSPMT-XLIONFOSSA-N 435.515 4.501 30 10 IJEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 478780092 QYJCFFZGOKMLER-AREMUKBSSA-N 449.510 4.954 30 10 IJEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 508862849 GGJMNVGGECELMY-GOSISDBHSA-N 439.585 4.509 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC(OC3CCC(C)CC3)CC2)cc(OC)c1OC 518669469 GMCMFWLFNRWWJB-UHFFFAOYSA-N 430.589 4.702 30 10 IJEE COc1ccc(C2=C(O)C(=O)N(c3ccc(C#N)cc3)[C@@H]2c2cccc(C)c2)c(OC)c1 526489057 DSUKJLLLYBLBEP-XMMPIXPASA-N 426.472 4.941 30 10 IJEE COc1cccc(C2=C(O)C(=O)N(c3ccccc3C#N)[C@@H]2c2ccc(OC(C)=O)cc2)c1 526607184 SQDABIPMGDBVGA-XMMPIXPASA-N 440.455 4.549 30 10 IJEE N#Cc1cccc(NC2=C(SCc3ccco3)C(=O)N(c3cc(F)ccc3F)C2=O)c1 526669490 ZSUJKELYSNRWPP-UHFFFAOYSA-N 437.427 4.560 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccccc2F)cc1OC 526803540 YUXPJCOUMGSWOX-OYKKKHCWSA-N 428.533 4.952 30 10 IJEE CCOc1cccc(/C=N\n2c(C)nnc2SCc2ccc(Br)cc2)c1O 526819553 IXXIHJCTWIBTDQ-NHDPSOOVSA-N 447.358 4.628 30 10 IJEE CCCOc1ccc(/C=N\n2c(CC)nnc2SCc2ccc(C#N)cc2)cc1OC 526821942 BKBFFHNNVZTQOB-MYYYXRDXSA-N 435.553 4.684 30 10 IJEE N#C[C@@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2Cc2ccccc2)CCO1 549154846 MCHZCHDQDNRSBK-MRXNPFEDSA-N 435.940 4.590 30 10 IJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(c2cnn(CC)c2)CC1 549285170 HMKLGSZDWGOKQZ-GOSISDBHSA-N 438.551 4.734 30 10 IJEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 568133784 ISGHOQXOIPGSTF-IMSXRSKXSA-N 444.535 4.780 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)c2ccccc2)CC1 570298125 UBOPIDBWIIKTCE-UHFFFAOYSA-N 446.551 4.638 30 10 IJEE C=CCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 581016282 ZCDSOSRDADHSDU-UHFFFAOYSA-N 442.298 4.825 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 582075082 HBHXXUAZBGWDGZ-INIZCTEOSA-N 427.549 4.974 30 10 IJEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(N2c3ccccc3C[C@@H]2C)CC1 609385214 DICHINUJLHFJCN-PMACEKPBSA-N 448.636 4.935 30 10 IJEE C=CCN(Cc1cc(Cl)ccc1OCC#N)S(=O)(=O)c1cccc(C(F)(F)F)c1 735303552 VAXSOWKPUROGRI-UHFFFAOYSA-N 444.862 4.638 30 10 IJEE COc1ccc(/C=C(\C)C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1F 755584415 WBMFRJSCESAYOM-SAAWKEMMSA-N 437.496 4.703 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCc1cc(Br)ccc1F 759205436 JJRCFPGTFKXTIK-SFHVURJKSA-N 445.332 4.993 30 10 IJEE O=C(OCC(F)(F)F)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 768958238 SDADQXHVBQUHKC-NSHDSACASA-N 425.247 4.796 30 10 IJEE CC(=O)N(c1ccc(Cl)cc1)c1nc(/C=C2/CCc3cc(C#N)cnc3C2=O)cs1 788358382 YLSAZOPGGXBGCJ-SXGWCWSVSA-N 434.908 4.960 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCCN1C(=O)OC(C)(C)C 790819154 CRDQOGZTDMJKSO-SANMLTNESA-N 448.567 4.886 30 10 IJEE C#Cc1cccc(N2C(=O)/C(=C/c3cnc(-c4ccccc4OC)nc3)SC2=S)c1 794185786 RMIFMMFWASEZLL-NDENLUEZSA-N 429.526 4.539 30 10 IJEE C=CCCc1ccccc1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 800155900 AOMBSCDKXQBDAR-UHFFFAOYSA-N 426.428 4.741 30 10 IJEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)Cc1csc2ccccc12 800784554 MXRKZSVDDRLCOG-UHFFFAOYSA-N 447.564 4.742 30 10 IJEE C#C[C@H](NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(Cl)cc1 811910676 HOSBLPOJZQXLRO-QHCPKHFHSA-N 448.954 4.633 30 10 IJEE C#CCCOc1ccc(C(=O)Nc2cc(I)ccc2Cl)cc1 1127026085 FXRGGHIOPLTYRS-UHFFFAOYSA-N 425.653 4.599 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(Br)cnc2C2CC2)cc1 1128300686 HOEIXQUPHYBSNJ-UHFFFAOYSA-N 429.314 4.983 30 10 IJEE C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C)Oc2ccccc2Br)cc1 1128302057 RVNGTCMEXMVDHH-OAHLLOKOSA-N 432.314 4.865 30 10 IJEE C=CC[C@@]1(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CCCN1C(=O)OC(C)(C)C 1128671942 GJVUHDSNKHWMBE-QHCPKHFHSA-N 446.498 4.650 30 10 IJEE C=CC[C@@]1(C(=O)NCc2sc(C)cc2Br)CCCN1C(=O)OC(C)(C)C 1131380997 HBGJUPYBNSUIJN-IBGZPJMESA-N 443.407 4.781 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N2CCC(Cc3nc(CC)cs3)CC2)cc1OC 1144174288 DBEULCWQVGWBFG-CLFYSBASSA-N 426.582 4.773 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(Oc2ccccc2)c1 1144992914 OMUKNOMCHLJXDF-FQEVSTJZSA-N 425.529 4.740 30 10 IJEE C=CCOc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)cc1OC 1146538799 LJYYJEIEQPGHBJ-YCRPNKLZSA-N 446.341 4.625 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCc2ccccc2)cc1 1149500792 PQZFGFIIWSDHSA-OAQYLSRUSA-N 444.959 4.918 30 10 IJEE C=CCN1CC[C@H](N(C)[C@H](c2ccc(Cl)cc2)c2ccc(Br)cc2)C1=O 1167607887 DQWDZIZYNRDTBB-PMACEKPBSA-N 433.777 4.911 30 10 IJEE N#Cc1cc(F)c(N[C@H]2COc3cc(F)c(Br)cc32)cc1Br 1186238345 CVSSLHGESNDTBW-AWEZNQCLSA-N 430.046 4.907 30 10 IJEE C#CCN(Cc1ccc(F)cc1)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1190707794 NFEZXSXKPVTGNF-NRFANRHFSA-N 429.333 4.527 30 10 IJEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 1194551493 IDLUGDOBAOXHHF-GZRZCRQQSA-N 446.433 4.633 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc2c1OC(C)(C)C2 1212256215 AHEXTWJBKDGERF-CQSZACIVSA-N 438.471 4.522 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 1215512443 KANAXHUGIXEDCT-DEOSSOPVSA-N 448.494 4.614 30 10 IJEE COC(=O)[C@@H]1CN(C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1c1ccc(F)cc1F 1218513467 FRHPSHVOUDSHKQ-JKSUJKDBSA-N 447.507 4.616 30 10 IJEE C#C[C@H](NC(=O)Nc1nc(Sc2ccc(OC)cc2)ns1)c1ccc(Cl)cc1 1218985230 LKKARHRQHBCPAS-INIZCTEOSA-N 430.942 4.847 30 10 IJEE COC(=O)CCSc1cc(Cl)ccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 1219773286 DTXMMIBMLZJISE-KRWDZBQOSA-N 429.929 4.676 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 1227480088 QAQOEPSJZUONFN-JXFKEZNVSA-N 427.372 4.775 30 10 IJEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(Nc2ccccc2Cl)CC1 1286335104 FHINMXUZTDSIDU-OAQYLSRUSA-N 427.980 4.667 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCCCN1CCC[C@@H](C)C1 1286440580 DVYGFYFQNQCCNY-LJQANCHMSA-N 444.023 4.579 30 10 IJEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCSC(CC)(CC)C1 1286501010 JNBIKQZYNXLITL-UHFFFAOYSA-N 428.671 4.986 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccccc1NC(=O)OC(C)(C)C 1286523535 YEABHKWTXXSLRO-RUZDIDTESA-N 437.588 4.864 30 10 IJEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 1286604946 FDOKEQLRENPVJG-ISKFKSNPSA-N 447.583 4.537 30 10 IJEE C=C(Cl)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286635919 GFKAPEDAXRIZOF-OAHLLOKOSA-N 449.411 4.704 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1286728653 DSHYAHOBNMGCAG-NRFANRHFSA-N 448.615 4.994 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nccn1C(F)F 1286753088 UGEULZWKGVVETM-HNNXBMFYSA-N 444.555 4.950 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H]2CC[C@@H](F)C2)C1 1286800108 GFBUAXDHHHFKER-FNAHDJPLSA-N 442.579 4.954 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccccc2C)C1 1286813895 FKZRRYQFPGXUQM-DNVJHFABSA-N 438.616 4.529 30 10 IJEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC1CC(OC(C)(C)C)C1)[C@H]1CCSC1 1298126069 IEFZDMMIIUWQRU-CKHPTIKVSA-N 439.629 4.742 30 10 IJEE C#CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1300349677 XIAMTJRLYYMHQR-HSZRJFAPSA-N 447.627 4.637 30 10 IJEE C#CCCCn1c(-c2cc(C)nc3ccccc23)nnc1N(C)Cc1cnc(C(C)C)nc1 1300385872 INBBLBVGFGKOLF-UHFFFAOYSA-N 439.567 4.765 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(OC2CCCC2)CC1 1300884870 MLAVIHHKFQQGLG-WMZHIEFXSA-N 430.637 4.776 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(C)C)C1 1300893302 YKLSQIQIHSTZPN-HWBMXIPRSA-N 449.599 4.582 30 10 IJEE C=C(C)CN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCc1c(C)noc1C 1300900219 NTXZYCQBZWUFHV-SFHVURJKSA-N 427.524 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC1(c2ccc(F)cc2)CCOCC1 1300918757 HLXGWUZWSJKBJD-UHFFFAOYSA-N 449.574 4.554 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@H]1C 1300980653 TZMZYKOHIGDTAH-AWEZNQCLSA-N 439.785 4.942 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@H]1C 1300980655 TZMZYKOHIGDTAH-CQSZACIVSA-N 439.785 4.942 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)c1nccs1 1301141877 RRHKARKKYUIZRW-INIZCTEOSA-N 439.585 4.973 30 10 IJEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccc1F 1301187168 RDRVHSGFPGSFGS-UHFFFAOYSA-N 449.578 4.584 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H](C)c1nc(C)cs1 1301341166 JXDSCWYICLYEJW-LAUBAEHRSA-N 448.596 4.763 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1Cc1ncccc1C 1301358856 AIDOHUIAKRORDJ-UHFFFAOYSA-N 426.549 4.823 30 10 IJEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)Cc1csc(CC)n1 1301444535 KRGRSFQCLXUMND-UHFFFAOYSA-N 448.390 4.558 30 10 IJEE C#CCN(C(=O)[C@@H](C)c1c(Cl)cccc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 1303655474 FELMVMSAGJWFDV-HNNXBMFYSA-N 439.383 4.958 30 10 IJEE COCCC1(Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1315987071 FNDKTODEISFHAS-DEOSSOPVSA-N 437.588 4.502 30 10 IJEE COCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CC[C@H](C)C1 1316075285 BCHNVPRDJNOLIO-TZEULACYSA-N 425.552 4.596 30 10 IJEE N#Cc1ccc(OCc2nnc(N3CCC[C@H]4CCC[C@@H]43)n2CCCC(F)(F)F)cc1 1316532992 DHPKPPLWRPRCFJ-MJGOQNOKSA-N 433.478 4.840 30 10 IJEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1 1352521572 PBEAUBCOVBQGEK-UHFFFAOYSA-N 440.492 4.693 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c1 1352611992 ADHIPNFFLWUVHK-QFIPXVFZSA-N 440.568 4.976 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)COc2cccc(Br)c2C#N)c1 1358273648 GMVCGJBIEBRJNC-UHFFFAOYSA-N 445.316 4.914 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CC1(c2ccccc2)CC1 1358878388 VTGGHSZHQRTHJF-HNNXBMFYSA-N 441.398 4.959 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CCc1ccncc1 1359000261 QJJLVKGHTYSSEV-IBGZPJMESA-N 437.975 4.786 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](COC)C1 1359090534 CMGZARVHGQQCIX-BUZMGHMJSA-N 438.616 4.664 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)Cc1csc(CC)n1 1359100953 IJQLOERMXMDFOX-DYESRHJHSA-N 443.642 4.567 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1c(C)nn(C)c1C 1359108857 GDAZSASRYBSOLB-MRXNPFEDSA-N 438.645 4.932 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCC[C@H]1CC 1359127816 BFRUVZSQXNYODX-MRXNPFEDSA-N 449.393 4.688 30 10 IJEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1359154934 HKCUDLMRPJDXNG-RTWAWAEBSA-N 445.007 4.869 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)SC)CC1 1359167964 BZNCXVDTJKQSBH-OAHLLOKOSA-N 437.407 4.528 30 10 IJEE C=CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(CC)CC)cc2)CC1 1359180314 ZZRPDOVGOLRHNG-UHFFFAOYSA-N 430.600 4.561 30 10 IJEE C=CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cscn1)c1ccccc1 1359194836 CEPGSTQFGYQLGO-NRFANRHFSA-N 430.581 4.717 30 10 IJEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](Oc2ccccn2)C1 1359211258 WTAWJFSPRAPCDS-SFHVURJKSA-N 439.947 4.626 30 10 IJEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nc(C(F)(F)F)cs1 1359243890 HYSCGZLQAAANJM-UHFFFAOYSA-N 437.491 4.620 30 10 IJEE C=CCN(c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CC[C@@H](F)C1)C1CC1 1359253413 DTDFGOHPNNUXTC-SCTDSRPQSA-N 433.572 4.643 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CC[C@@H]1CCO[C@@H](C)C1 1359261382 GZBWGAVAEMZAIN-RBBKRZOGSA-N 449.574 4.801 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)OC)C1 1359313377 LBDJWCHQGVUODL-QFIPXVFZSA-N 449.599 4.559 30 10 IJEE C=CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnc(C)s1 1359346218 FSUCDJRWDOMNDX-QZTJIDSGSA-N 435.663 4.517 30 10 IJEE C=CCC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)c1ccccc1 1435619928 HGILBTPYLINDAM-FYYLOGMGSA-N 433.552 4.787 30 10 IJEE C=CCn1c(SCC(=O)NCc2cccc3[nH]ccc23)nnc1-c1ccc(Cl)cc1 1438774292 FDBAEENWEHOPCY-UHFFFAOYSA-N 437.956 4.674 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2ccc(OCC)cc2)CC1 1446414857 IRSOELNEHULMSF-UHFFFAOYSA-N 434.458 4.631 30 10 IJEE C#Cc1ccc(NC(=O)CCN[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 1460863457 ZZOHEBHSEGMRMS-LMSSTIIKSA-N 437.587 4.644 30 10 IJEE C=C(C)C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)OCC 1462500185 FYBQXWJSNKPINY-INIZCTEOSA-N 427.353 4.674 30 10 IJEE Cc1c(S(=O)(=O)NCC(=O)c2cccc(Cl)c2Cl)sc2ccc(C#N)cc12 1464245278 BDRLOXQPNOGUSS-UHFFFAOYSA-N 439.345 4.549 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1COC2(CCCCCC2)O1 1466816596 JEKSDPNXHGTRLO-INIZCTEOSA-N 439.350 4.601 30 10 IJEE C=CCn1c(SCC(=O)NC2(C3(C)CC3)CC2)nnc1-c1ccc(Cl)cc1Cl 1467991529 LDSBNFWLFJOHAR-UHFFFAOYSA-N 437.396 4.979 30 10 IJEE C=CCC[C@H](NC(=O)c1cccnc1Sc1ccc(Br)cc1)C(=O)OCC 1468124828 HFOKNDCFFOZTMY-KRWDZBQOSA-N 449.370 4.623 30 10 IJEE C#C[C@H](NC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12)C1CCOCC1 1470311302 DVSOASOMKNPSAY-QFIPXVFZSA-N 436.939 4.532 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)Cc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 1473131526 FEGGNGLNRXWAEM-UHFFFAOYSA-N 430.508 4.851 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 1473313564 BEWOTWOBUZUJTI-VMXDCPSBSA-N 425.960 4.971 30 10 IJEE C=C[C@@H]1OCC[C@H]1N[C@H](C(=O)Nc1nc(-c2ccc(CC)cc2)cs1)c1ccccc1 1473480033 ZHUAPMVMPUCZLF-PUHATCMVSA-N 433.577 4.985 30 10 IJEE CN(C1c2ccccc2-c2ccccc21)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1475049386 HPZHYAFTCLFQFD-UHFFFAOYSA-N 428.435 4.968 30 10 IJEE C#CCOc1ccc(NC(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)cc1 1476150444 IMBSCMAXPMFHRK-UHFFFAOYSA-N 429.851 4.680 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)NC1(Cc2ccccc2)CCOCC1 1476729778 PWWFKQVUEWROSZ-UHFFFAOYSA-N 445.357 4.927 30 10 IJEE C=C1CCC(CNC(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CC1 1478061137 LUXQWCIXMJOGCF-JOCHJYFZSA-N 448.535 4.503 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC1(O)CCCCCC1 1507523888 SEWFMJGDBDOILO-KRWDZBQOSA-N 445.405 4.559 30 10 IJEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1507555807 FBHGJYFPYALPJH-UHFFFAOYSA-N 438.963 4.652 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC1CC(F)(F)C1 1507668360 BIFGKJURKKTMPJ-UHFFFAOYSA-N 440.538 4.878 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(C)C)CC1 1507794263 DREWUQQWAUIXAJ-SIKLNZKXSA-N 444.023 4.547 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CC#N)CC1 1507799457 ZALQFLNTQVABGI-DYESRHJHSA-N 443.954 4.849 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(CC#N)CC1 1507805310 JGBOPNZUGBCOFD-UKILVPOCSA-N 433.600 4.565 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCOC2CCCCC2)CC1 1507888531 NKHGXHRSFPJUCK-UHFFFAOYSA-N 428.552 4.892 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC(F)(F)C2)CC1 1507909463 GKTSPZWWAWMAOT-SFHVURJKSA-N 432.515 4.704 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1507911407 KJPCUOIICGGLBW-HTAPYJJXSA-N 440.588 4.568 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H](C)N(C)C 1508007112 SDQLTGGRDXEDQK-GOSISDBHSA-N 448.596 4.804 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(CC)n1C[C@@H](c1c(F)cccc1F)N(C)C 1508008114 KQDAXAJPVMNEPN-IBGZPJMESA-N 431.556 4.676 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCN1CCC[C@@H]1C 1508014793 DSRPBJAEZWJPTI-OALUTQOASA-N 425.646 4.794 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CCCO1 1508034026 SFTANBBYYYGXNH-XMMPIXPASA-N 442.510 4.544 30 10 IJEE C=CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 1508163098 SWQOBLRWAUPNSD-FQEVSTJZSA-N 447.048 4.694 30 10 IJEE C#CCOc1ccc(COC(=O)c2scc(Br)c2Br)cc1 1521611326 CVJCKBNOGVLNCS-UHFFFAOYSA-N 430.117 4.642 30 10 IJEE C#CC[C@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCN1C(=O)OC(C)(C)C 1524473497 MQLZMYXJVBSGMO-AREMUKBSSA-N 434.536 4.997 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 1526113872 ATOMYJKMAOJNGA-JXFKEZNVSA-N 432.879 4.660 30 10 IJEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(Br)c4ccccc34)cc2C1=O 1534476672 PBBGXMSNTGANDK-UHFFFAOYSA-N 449.304 4.945 30 10 IJEE C=CCc1cc(CNC(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)cc(OC)c1OC 1535674051 JEJJHFICEYUURI-UHFFFAOYSA-N 433.552 4.727 30 10 IJEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 1536750219 PGTFGFSTMCIWNA-LBPRGKRZSA-N 445.363 4.709 30 10 IJEE C#CCN(C(=O)C[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCOc2ccc(Br)cc21 1538198657 JUVVOWQKAVOADU-PBHICJAKSA-N 431.157 4.709 30 10 IJEE C#CCCCCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(F)F)C1 1539060033 MSWLSZSVGQSCJR-OAHLLOKOSA-N 437.332 4.993 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1Cc1ccc(C#N)o1 1539352117 QGWPBRIZDWEEMY-UHFFFAOYSA-N 431.496 4.785 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H](C)C1CCCCC1 1539611710 DBMCTPAZDWUVEQ-CZTZKLFOSA-N 445.652 4.583 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCOC2(CCCCCC2)C1 1539751093 ZRVUOFMUOPTPHY-UHFFFAOYSA-N 442.579 4.530 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCN2CC)CC1 1539836903 ZQPWDUITFVXKFW-LJQANCHMSA-N 444.421 4.657 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 1539856010 QCNQSYZNQFIBDQ-IBGZPJMESA-N 427.499 4.711 30 10 IJEE C=CCC1(C(=O)N2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)CCCC1 1539913331 DKLUHNGBEJBLFQ-UHFFFAOYSA-N 425.598 4.599 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1N(C)CCCC1(C)C 1540047040 DISLUIVETRHUSL-RBBKRZOGSA-N 425.621 4.778 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](CC)OC 1540159258 ZVAWGXCJKUICKT-OAHLLOKOSA-N 439.785 4.964 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC2(CCCCC2)O1 1541806148 FYOMYUGJGDDHFO-NQIIRXRSSA-N 441.551 4.616 30 10 IJEE C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@H](C)Cc1cccs1 1541817818 AQEXOHQZRPYSHY-SJORKVTESA-N 427.549 4.675 30 10 IJEE N#Cc1ccc(N2CCC[C@H](N3CCSC[C@@H]3c3cccc(C(F)(F)F)c3)C2=O)cc1 1559761626 CNISEVSZPMISEP-LEWJYISDSA-N 445.510 4.863 30 10 IJEE CSc1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1Br 1563082550 BKOVZZCCEAIDRU-KRWDZBQOSA-N 432.343 4.648 30 10 IJEE C#CC1(O)CCN(C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)CC1 1564006469 HZAONQFJOUZMKV-HXUWFJFHSA-N 435.326 4.586 30 10 IJEE C=CCC[C@H](NC(=O)N1CCOC[C@H]1C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1 1564406827 OXGMPFRLJHQACP-DBVUQKKJSA-N 426.479 4.550 30 10 IJEE C#CCN(C(=O)NC[C@H](Cc1ccccc1)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1564593059 YWBZOFCKQUALMQ-QFIPXVFZSA-N 441.616 4.546 30 10 IJEE O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(C(F)(F)F)cnc1O 1566887653 FVKBWQKJXJSSSZ-NSHDSACASA-N 432.242 4.858 30 10 IJEE CC(C)(C)c1cc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c(O)c(C(C)(C)C)c1 1568797289 CQIUDJHFDYMKSC-UHFFFAOYSA-N 431.540 4.879 30 10 IJEE C=CCN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 1583066416 CQCWGWUOIQMDGI-UHFFFAOYSA-N 438.524 4.763 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(O)(CCC)CCC 1587586195 KJWKFIAWXBMYAE-QGZVFWFLSA-N 447.421 4.805 30 10 IJEE C#CCCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C)[C@H](OC)C1 1587712191 OWMNAURTXQFMEB-DNVCBOLYSA-N 449.368 4.511 30 10 IJEE C=C(Br)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H]1CC 1589459896 GHHMQPOELUSSDA-MXASKKJJSA-N 425.415 4.730 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCSC 1589527953 BWHFSSLZRKTNQD-DYESRHJHSA-N 425.602 4.597 30 10 IJEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC(OC2CCC(C)CC2)CC1 1593894477 BNNXGUOBYWEUHH-UHFFFAOYSA-N 429.996 4.581 30 10 IJEE C=CCCCn1c(-c2ccccc2Br)nnc1N(C[C@H]1CCOC1)C1CC1 1594703411 JHXRFISXLNTQKX-MRXNPFEDSA-N 431.378 4.679 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C(CC)CC)N(C)C 1594895189 GYJKPPKIZRHHGH-LJQANCHMSA-N 434.426 4.696 30 10 IJEE C=CCN(c1nnc(COc2ccc(C)c(C)c2)n1CCc1nc(C)c(C)s1)C1CC1 1595065324 NXRAKJNXMYFAHS-UHFFFAOYSA-N 437.613 4.945 30 10 IJEE CC[C@H](Oc1cccc(/C=C2/S/C(=N/c3ccc(C)cc3O)N(CC)C2=O)c1)C(=O)O 1614236222 CFCOUKDOPOBQGN-PBUZGHSBSA-N 440.521 4.567 30 10 IJEE CN(C)c1ccc(/C=C2/S/C(=N/N=C/c3ccc(F)cc3)N(Cc3ccco3)C2=O)cc1 1615301778 ACTTVGHSZXFOOP-AQNGZRBHSA-N 448.523 4.991 30 10 IJEE C#CCN(C(=O)C1CC(O)(CCC(C)(C)C)C1)[C@@H]1CCOc2ccc(Br)cc21 1617600147 JEDTUGQHZCMJES-VCDSYBKSSA-N 448.401 4.702 30 10 IJEE COc1ccc([C@@H](C)CCn2c(-c3cccc(C)n3)nnc2N2CCC(C#N)CC2)cc1 1619152686 COGYDAWGCYKLTD-SFHVURJKSA-N 430.556 4.591 30 10 IJEE C#CCC1(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CCCCC1 1622606242 HYUUUXUNTCOBCA-UHFFFAOYSA-N 425.175 4.760 30 10 IJEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 1622627108 BMHMVEKEHHXIPS-HXUWFJFHSA-N 434.399 4.964 30 10 IJEE C#CCOc1ccc(CNC(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)cc1 1624394716 FOCJSNFOTPVZGQ-UHFFFAOYSA-N 444.556 4.821 30 10 IJEE C=C(C)[C@H](CC(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1)OCC 1624992395 ZLYZGFQXGKAHCR-NRFANRHFSA-N 432.923 4.818 30 10 IJEE C=CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 1626437946 WCEDDUXVVQUGRR-VZWFDDOASA-N 443.503 4.687 30 10 IJEE C#CCC1(NC(=O)c2cc(I)ccc2Br)CCCCC1 1626675901 JDBWLDZRXDJAGK-UHFFFAOYSA-N 446.126 4.510 30 10 IJEE N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccc(F)cc3)cc2)c1 1627919299 DCUIXWULXDCYRH-VWLOTQADSA-N 429.495 4.879 30 10 IJEE C#CCCOc1ccc(C(=O)N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)cc1 1627932783 XYUZMJCKVBHNJB-OAQYLSRUSA-N 440.584 4.636 30 10 IJEE C=CCC(C)(C)CNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1628416335 BHRJZLVEUFVZLG-UHFFFAOYSA-N 440.487 4.838 30 10 IJEE N#Cc1ccc(CCNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)cc1 1632774563 DZKDKTRWDQZBDC-UHFFFAOYSA-N 433.305 4.524 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CCC(C)CC1 1634854473 IIRAJYACDPYDSB-HSZRJFAPSA-N 443.632 4.784 30 10 IJEE C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1636098183 BKCFREQQJYMEAW-DNRQZRRGSA-N 427.589 4.653 30 10 IJEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C(=O)c2cccc3ccccc23)cn1C 1636305972 JKLQTFDUUOFBAU-UHFFFAOYSA-N 442.515 4.713 30 10 IJEE C=CCN(CC=C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OCC)cc1 1636820478 CVEIEXCAQBQFMU-VXKWHMMOSA-N 443.588 4.562 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 1638664414 NUBGEHCRKPHEBR-UHFFFAOYSA-N 440.499 4.633 30 10 IJEE C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)C1 1645063855 FKWFFHYQDQAPFE-SFHVURJKSA-N 447.000 4.589 30 10 IJEE C#CCN(Cc1ccnn1-c1ccccc1C)[C@@H]1CCOc2ccc(Br)cc21 1651992934 ZGNRSWDXMVPMQQ-JOCHJYFZSA-N 436.353 4.902 30 10 IJEE COC(=O)c1cccc(CN(C)Cc2cccc(OC)c2OCc2ccccc2F)c1C#N 1653399658 HEIWKRZGMZIXED-UHFFFAOYSA-N 448.494 4.704 30 10 IJEE C#Cc1ccc(CNc2cccc(C(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1 1658687537 DDAKJURANYSRGG-UHFFFAOYSA-N 434.536 4.836 30 10 IJEE C=CCN(C(=O)CN1CCCc2n[nH]cc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1658841088 IUXRXGZXQCRNLW-UHFFFAOYSA-N 448.379 4.812 30 10 IJEE N#CCc1ccc(OC[C@H](O)CNC2(c3ccc(Br)cc3)CCCCC2)cc1 1659398004 IFDIYWUHDKWVPQ-OAQYLSRUSA-N 443.385 4.704 30 10 IJEE Cc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3c(C)cc(F)cc3C#N)s2)cc1 1661587121 CBZSYCRILRBPRM-OAHLLOKOSA-N 429.542 4.786 30 10 IJEE O=S(=O)(N[C@@H](CCc1ccccc1)C(F)(F)F)c1c(F)cccc1OC(F)(F)F 1662477064 HOHKNRQAKXRQSE-AWEZNQCLSA-N 445.356 4.566 30 10 IJEE C=CCOc1ccc(CN[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1OC 1662536106 GBCYANHSPAVYHA-AMGIVPHBSA-N 449.522 4.940 30 10 IJEE COc1ccc(N(CCC(C)C)S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 1663779102 BYMYZDCOGNWTES-UHFFFAOYSA-N 437.359 4.571 30 10 IJEE C=CCC[C@H](NC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 1670774774 DCUYMLWUOIFSGO-CTNGQTDRSA-N 436.474 4.794 30 10 IJEE C#CCOc1ccccc1NC(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 1670866467 MVZSXRWYAFNQQS-GOSISDBHSA-N 445.494 4.902 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc1 1673820080 RVXQUUSUMXFUJJ-FCHUYYIVSA-N 446.595 4.628 30 10 IJEE C=CCCC(C)(C)CNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 1675070826 OBRCAUROQLXNDA-FCHUYYIVSA-N 427.589 4.715 30 10 IJEE C=CCc1cc(CNC(=O)N[C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cc(OC)c1OC 1677966791 NFRSTGKRMGXHSI-FGZHOGPDSA-N 446.975 4.643 30 10 IJEE C=CCC[C@H](NC(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1)c1ccccc1 1680581713 WPZKUSWFPAAAMU-NRFANRHFSA-N 449.530 4.942 30 10 IJEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)Cc1cccs1 1690001263 IFYYSLHYLPTACG-RBUKOAKNSA-N 436.556 4.570 30 10 IJEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)Cc1cccs1 1690027068 YCUHBIRRIVNUBV-SFHVURJKSA-N 438.984 4.524 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1690200046 JBORWFGNFGOIAD-RQNQAMLKSA-N 436.600 4.787 30 10 IJEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1690225702 IPWPTJGXKDKZGW-UHFFFAOYSA-N 438.320 4.655 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)c1cccs1 1690267001 QBXSYSCBDDUBOE-JOCHJYFZSA-N 432.540 4.519 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOc1ccccc1C 1690272639 GGSSYCOGAKXMSM-IFMALSPDSA-N 426.605 4.987 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690435729 DETQABAXDFPGFF-WOJBJXKFSA-N 434.632 4.871 30 10 IJEE C=CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccccc1 1690441562 AVKKQZHREATKHX-LJQANCHMSA-N 447.974 4.723 30 10 IJEE C=CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](OCC(C)C)C1)c1ccccc1 1690445457 XXFWWJAEGFRNMM-SMIHKQSGSA-N 438.616 4.783 30 10 IJEE C=CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC)CC1)c1ccccc1 1690447726 VXGSGCUMCIILPM-HJOGWXRNSA-N 438.616 4.988 30 10 IJEE C=CCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690451517 IVABSQVHLFIFRD-AABGKKOBSA-N 429.584 4.832 30 10 IJEE C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@](C)(O)c1cccs1)C1CC1 1690537045 JIVORUZTGNLLKD-HJPURHCSSA-N 442.560 4.681 30 10 IJEE C=CCN(c1nnc(-c2cccc(Br)c2)n1Cc1c(CC)noc1C)C1CC1 1690538905 RNHGLGMXCLRTII-UHFFFAOYSA-N 442.361 4.770 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1C[C@H]1CCSC1(C)C 1690558138 FZDYVEPTMPMSOM-OAQYLSRUSA-N 446.624 4.880 30 10 IJEE CC[C@H](C)[C@@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1693951580 HVDCXAPAJLOJEP-QYWGDWMGSA-N 436.025 4.759 30 10 IJEE CCC[C@](C)(O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1695047971 IDZCPGVEYHWQTO-VXKWHMMOSA-N 448.036 4.905 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CC[C@@H]1CCO[C@H](C)C1 1705484706 UQMDDDOXARVYOO-PWRODBHTSA-N 448.567 4.780 30 10 IJEE C#CCN(CC)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@H](OC)C1CC1 1705605056 ZVQWXUPMTHCMID-XLIONFOSSA-N 430.980 4.573 30 10 IJEE C#CCN(CC)c1nnc(CSc2ccc(Cl)cc2)n1CCc1csc(CC)n1 1705617832 JHWRGJLMZZYVJW-UHFFFAOYSA-N 446.045 4.945 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1(SC)CC1 1705670690 FLQHPKVBOJKYKY-HSZRJFAPSA-N 440.613 4.629 30 10 IJEE C=C(Br)Cn1c(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)nnc1C(C)(C)C 1705692956 YJOKUPXDJFJUHL-IBGZPJMESA-N 442.405 4.815 30 10 IJEE C=C(C)COCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS[C@@H](CC)C1 1705730421 KDELYXGEMOCRRX-SFTDATJTSA-N 444.645 4.959 30 10 IJEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1705757199 CSQWAWCDTQNPPT-UHFFFAOYSA-N 442.995 4.554 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705784760 IBTOKJBOILFJBW-XXBNENTESA-N 445.007 4.974 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC[C@@H]1C 1705786692 WASDCHAOLMUVRG-OALUTQOASA-N 428.577 4.644 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1705789893 BIKJPXWXPYJOTK-LJQANCHMSA-N 434.588 4.531 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCCO[C@@H]1CCOC1 1705837723 MDQCRTJKJVTWCU-LJQANCHMSA-N 442.560 4.631 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1CCCn1cc(Br)cn1 1705859003 DNTKDBWVPULOML-UHFFFAOYSA-N 443.393 4.643 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCSC1 1705870057 BHGBYXBXLNJBFN-HNNXBMFYSA-N 449.418 4.648 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2CCN(CC)CC2)C1 1705919136 YATYOLGGSPCPJL-HXUWFJFHSA-N 444.023 4.502 30 10 IJEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1705947493 MSDAZJLBSIGEMX-SFHVURJKSA-N 443.617 4.686 30 10 IJEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC1CCCC1 1708269251 IBAPIQFOQSIYKH-GOSISDBHSA-N 425.602 4.641 30 10 IJEE C#CCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC1CCCC1 1722320317 VXJLIUIFIXPYDO-IBGZPJMESA-N 445.608 4.507 30 10 IJEE C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H]1CC 1722321908 DFEBNSGLMPGJIZ-ZCNNSNEGSA-N 429.609 4.778 30 10 IJEE C#CCCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)NCCCCC)CC1 1722326769 WLITUXCRHRQGSN-UHFFFAOYSA-N 447.583 4.628 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCCc1cccc(C)n1 1722391475 NTMCKWSUMZANBU-RUZDIDTESA-N 425.580 4.619 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCCCCOC 1722467319 QKBWTRIQMSKINU-FDDCHVKYSA-N 430.980 4.880 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1722513624 CJLMNCKCXNNZIV-OYRHEFFESA-N 427.612 4.778 30 10 IJEE C=CC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722573489 ZPTCPJJAPJJNJP-GMAHTHKFSA-N 449.599 4.531 30 10 IJEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)C(F)(F)F)CC1 1722576129 JYNKGQVTSXCDLL-UHFFFAOYSA-N 438.494 4.953 30 10 IJEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1722589072 JXSUDONZJMPUGD-JOCHJYFZSA-N 448.615 4.745 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1722591140 LDHVTGOVKYGKON-KAGYGMCKSA-N 442.579 4.880 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(O)cc1 1722595044 JBAPSBSZOXIMKK-UHFFFAOYSA-N 444.377 4.972 30 10 IJEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1cc(C(F)(F)F)ccn1 1722634731 QMXNDYDNIVIFEA-OAHLLOKOSA-N 449.452 4.836 30 10 IJEE C=CCN(CC=C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H]1C 1722669556 WONPVXHHWVWVNF-PMACEKPBSA-N 446.599 4.680 30 10 IJEE C=CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1722734895 HZAOAKAELYYBDB-IAGOWNOFSA-N 448.658 4.602 30 10 IJEE CC(C)c1csc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)n1 1722862937 FYZHYOYGQSUHAI-HZPDHXFCSA-N 442.564 4.781 30 10 IJEE CC(C)[C@@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1723738796 FZQHUZAPCRRJDW-JQVVWYNYSA-N 447.505 4.563 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)c2nccs2)cc1 1724449994 GKSHGYNYUMQDCM-DLBZAZTESA-N 426.615 4.877 30 10 IJEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CC(C)C)CC2)CC1 1727884109 COZJLOLCDKTACP-UHFFFAOYSA-N 448.615 4.528 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCO[C@H]1C(C)C 1740537934 AKVHPVBFNCGTQZ-HQRMLTQVSA-N 445.405 4.617 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1c(C)noc1C 1740646919 LVVPINQIQGHBBE-UHFFFAOYSA-N 449.967 4.929 30 10 IJEE C#CCSCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC1CCC1 1740712674 QLPDMBINXNLHDQ-UHFFFAOYSA-N 433.419 4.619 30 10 IJEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1740713711 PFNLUHPHIFTOLW-GOSISDBHSA-N 441.988 4.857 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)C2CCCCC2)CC1 1740826040 AIWZGHLIWFJBDV-DEOSSOPVSA-N 430.543 4.635 30 10 IJEE C=CCC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1C 1740850851 LPXUCXTYMQGDLH-UHFFFAOYSA-N 426.996 4.803 30 10 IJEE C=CC[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccccc1 1740853786 ADXHUEGJXUTWOS-URXFXBBRSA-N 449.643 4.989 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccco1)c1ccccc1 1740854528 PVXJRYBBKZEDDH-LEWJYISDSA-N 433.556 4.711 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(C)C)C1 1740866394 CLOQHVDIQFCXMW-VQTJNVASSA-N 447.624 4.568 30 10 IJEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)Cc1ccccc1C 1740877064 YGBSRPSZBSJUEH-UHFFFAOYSA-N 445.615 4.753 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(C2CC2)n1CCN(CC)C(=O)OC(C)(C)C 1740921019 JBYBGBHWQWQNQI-UHFFFAOYSA-N 443.567 4.744 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1cccc(C(C)(C)O)c1 1740922074 SRLSUBDAIPBDIQ-UHFFFAOYSA-N 447.608 4.813 30 10 IJEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCCCC2)C1 1740972661 KXBKLVMPTINZIF-QUCCMNQESA-N 428.552 4.919 30 10 IJEE C=CCSCCn1c(-c2cccc(Br)c2)nnc1N1CCC(CC#N)CC1 1740996888 JXKZLAVBGURHIY-UHFFFAOYSA-N 446.418 4.757 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(c2ccccc2CO)CC1 1740997736 BPXOEAVSQZCBIY-UHFFFAOYSA-N 438.597 4.642 30 10 IJEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)cs1 1746611694 BVMFRPWKOJJUCJ-UHFFFAOYSA-N 439.585 4.550 30 10 IJEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCCCC1)CC(F)(F)F 1747924207 CBGHLVYMGUDIJN-UHFFFAOYSA-N 448.537 4.717 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1C[C@@H]1CCOC[C@@H]1C 1748647599 QNJJKOBRXJGGQS-ZWOKBUDYSA-N 435.597 4.508 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[C@H](OC)C(F)(F)F 1748655144 RVRGPSVSCHRHKG-NHYWBVRUSA-N 435.277 4.677 30 10 IJEE C#CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1748701936 UGRSGOKARANRAH-SANMLTNESA-N 446.599 4.780 30 10 IJEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCc2sccc2[C@@H]1CC 1749024324 MXXFPQWUEOUSDX-FQEVSTJZSA-N 438.622 4.895 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)c2ncc(C)s2)CC1 1749311197 IACVZUHDKWNNBE-MRXNPFEDSA-N 427.549 4.721 30 10 IJEE C=CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)CC)CC1)c1ccccc1 1749383023 QZZVUODIJSIMMF-QFIPXVFZSA-N 432.616 4.944 30 10 IJEE C=CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1cn2ccsc2n1 1749502081 NKYQIAREGBECHW-UHFFFAOYSA-N 430.990 4.604 30 10 IJEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCOC1CCCCCC1 1751091168 FSOAJIHHZYDDTO-OAHLLOKOSA-N 449.397 4.513 30 10 IJEE Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)o1 1751477865 HEWHRUIVBUTLNI-SKPFHBQLSA-N 425.577 4.554 30 10 IJEE C#CCCCCn1c(Nc2ccn(C)n2)nnc1[C@@H](C)Oc1c(C)cc(Cl)cc1C 1760143531 JHPDLWKTFNIUMZ-QGZVFWFLSA-N 426.952 4.969 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC(=C)c1ccccc1 1760198003 UBPZWVVCOGVACU-UHFFFAOYSA-N 437.366 4.555 30 10 IJEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCOc1ccc(F)cc1 1760342285 FFNDTOZSJLPVDL-UHFFFAOYSA-N 448.340 4.656 30 10 IJEE C=C(Cl)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@](C)(CC)C1 1760367337 HOWGPQXOGJSYCD-SFHVURJKSA-N 443.748 4.605 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC2(OC)CCC2)CC1 1760397937 HFPROLWRHVNCDK-UHFFFAOYSA-N 432.515 4.908 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760436414 ATAZOUNIVVYGGZ-JOCHJYFZSA-N 442.604 4.958 30 10 IJEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC 1760441714 RQUSXGVYVJSAPZ-JOCHJYFZSA-N 433.556 4.589 30 10 IJEE CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(CCC#N)CC1CC1 1762812311 GRPZYIJMHUCVRD-GOSISDBHSA-N 440.661 4.602 30 10 IJEE CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCC2)C1 1766780082 AWEQPMHPCQWFBE-NHCUHLMSSA-N 439.629 4.744 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CCCCCC2)CC1 1772554994 LRTWTFHRLIJXKP-UHFFFAOYSA-N 445.558 4.825 30 10 IJEE CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=NNc4ccccc4)C2=O)C3(C)C)cc1 1772722424 VHZYQNNEELXSHN-IZZNHLLZSA-N 447.535 4.665 30 10 IJEE COc1cc(/C=N/NC(=S)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OCc1ccccc1 1860499484 NZCHHSQFDHHGHK-PEKCABBLSA-N 437.609 4.897 30 10 IJEE CCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1 1861449255 JYEIQOLQVBWSMY-NRFANRHFSA-N 426.605 4.942 30 10 IJEE O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 1862418839 LYAXBYKLLKKGNB-HXUWFJFHSA-N 442.418 4.784 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1 1862489121 PXQMQDZYZVBECC-XMMPIXPASA-N 443.499 4.802 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc3cc[nH]c3c2)c1 1862490809 DSRAKJBFXPFRPA-XMMPIXPASA-N 437.499 4.958 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862680704 IFXOJUAUMIMGAC-VOJFVSQTSA-N 432.835 4.764 30 10 IJEE C[C@@H]1CCCC[C@@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(F)c1 1862749344 WGJHTCZJGXUATF-XWRIVVANSA-N 438.455 4.891 30 10 IJEE CCOc1ccc(NC2=C(c3ccc(F)cc3F)C(=O)N(c3cccc(C#N)c3)C2=O)cc1 1862946283 GMXUGXZEXMDAMM-UHFFFAOYSA-N 445.425 4.632 30 10 IJEE CC(C)Oc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(Cc3cccs3)C2=O)cc1 1863357159 ZTCNFQHHHCOAQI-UHFFFAOYSA-N 443.528 4.799 30 10 IJEE CCCCCCOc1ccc2[nH]c(C(=O)Nc3ccc(C#N)cc3[N+](=O)[O-])cc(=O)c2c1 1866526687 GCCNLIOIRVEJJB-UHFFFAOYSA-N 434.452 4.519 30 10 IJEE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccccc1C#N 1867131457 GGRKFJSAJNWPCN-REWPJTCUSA-N 447.485 4.892 30 10 IJEE CN1CCN(c2cc(Nc3ccc(C#N)cc3)nc(-c3cccnc3)n2)C[C@@H]1c1ccccc1 1868575141 AOJXFQSQLBZZCD-XMMPIXPASA-N 447.546 4.647 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(Cl)cc2Cl)cc1 1870148093 VFRGEYLIZJHGQO-UHFFFAOYSA-N 430.295 4.877 30 10 IJEE C=CCn1cc(OCc2c(C)cccc2C)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870920811 WGWIUVATAWOWBD-UHFFFAOYSA-N 431.536 4.801 30 10 IJEE COc1ccccc1OCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871370657 XSDXZQGPFOSEDW-QRVIBDJDSA-N 430.456 4.913 30 10 IJEE O=C(COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)Nc1ccc2c(c1)OCO2 1871429516 JYZHORSRTDDRHU-HEYHWPDRSA-N 441.439 4.605 30 10 IJEE C=CCN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(C)C)S(=O)(=O)c1cccs1 1871807237 OVEMWZSJLXZHHP-QGZVFWFLSA-N 446.516 4.607 30 10 IJEE CCOc1ccc(-c2nc(C3=C(N)N(c4ccccc4OCC)CC3=O)sc2C)cc1 1872725927 BOLNVURQBYHQQX-UHFFFAOYSA-N 435.549 4.633 30 10 IJEE Cc1c(C(=O)[C@@H](C#N)c2nc(-c3ccc(F)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872776588 SMNAQTZASARLRD-OAHLLOKOSA-N 426.385 4.564 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(c2ccccc2Br)C1=O 1873252199 HOJMPUYZCOWJNH-UHFFFAOYSA-N 425.326 4.951 30 10 IJEE CCCCCCCCN1C(=O)C(Nc2cccc(C(=O)OCC)c2)=C(c2cccnc2)C1=O 1873269124 LRCITLHDHUWSRU-UHFFFAOYSA-N 449.551 4.811 30 10 IJEE Cc1ccc(N2CC(=O)C(c3nc(-c4ccc(Br)cc4)c(C)s3)=C2N)cc1 1873529614 HLRWVJIEZKWGKT-UHFFFAOYSA-N 440.366 4.906 30 10 IJEE C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])c(=O)oc2c1 1873929516 LGCKAWWEUQNFEV-UHFFFAOYSA-N 436.464 4.844 30 10 IJEE COc1ccc(OC)c(/C=N/n2c(CCCOc3ccccc3Cl)nnc2SC)c1 1874215025 RRBPBORQFNHFKA-OEAKJJBVSA-N 446.960 4.564 30 10 IJEE C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1/N=C/c1ccccc1OC 1874231073 QSQHQWDGEMRIPN-YDZHTSKRSA-N 428.945 4.988 30 10 IJEE CCCCOc1ccc(/C=N/n2c(COc3ccc(OC)cc3)nnc2SC)cc1 1874290950 YBKUBSTYTQKKEM-HZHRSRAPSA-N 426.542 4.649 30 10 IJEE COc1ccccc1CCc1nnc(SCc2cccc(C)c2)n1/N=C/c1ccccn1 1874312975 WNKNVLDKTACWAG-WPWMEQJKSA-N 443.576 4.950 30 10 IJEE CCN(CC)C(=O)CSc1nnc(CCc2ccccc2C)n1/N=C/c1ccccc1C 1874360218 UWHFGDDJBGRLDC-YZSQISJMSA-N 449.624 4.523 30 10 IJEE C=CCSc1nnc(CCc2ccccc2)n1/N=C/c1ccc(Br)cc1 1874403913 ZDDJCWYCGQILHP-PXLXIMEGSA-N 427.371 4.986 30 10 IJEE CCSc1nnc(CCOC)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 1874471331 ZBIUMJAJSKDGSL-OEAKJJBVSA-N 430.961 4.694 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(C(C)C)cc1 1874477507 AWPNBXYWLZGGMO-YDZHTSKRSA-N 442.614 4.814 30 10 IJEE CCCCOc1c(Br)cc(/C=N/n2cnnc2SCCC)cc1OC 1874539074 MCDPRBRBQYROBB-RGVLZGJSSA-N 427.368 4.612 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cccc(OC)c3)c(OC)c2)cc1 1875112618 METMNPHNMQNNMU-MDWZMJQESA-N 448.471 4.836 30 10 IJEE COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccnc3)c([N+](=O)[O-])c2)cc1Cl 1875188971 RSJCWLBVIKWKLA-QPJJXVBHSA-N 438.823 4.767 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1875189563 WGMKWTCKVBVJMG-CZXUKVBWSA-N 436.247 4.882 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(C#N)N(CC(F)(F)F)C(=O)OC(C)(C)C)C1 1897766928 ZSAGVCYSOGBGKU-IQUTYRLHSA-N 435.487 4.761 30 10 IJEE C[C@@](Cc1cc(C#N)cs1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952058007 BGYVFWQYOQYVIL-DEOSSOPVSA-N 432.501 4.544 30 10 IJEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CC[C@H]1NC(=O)OCc1ccccc1 1955674411 NUUSIENROIUMBQ-YKSBVNFPSA-N 427.545 4.907 30 10 IJEE C=CCNC(=O)c1ccccc1NC=C1C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21 2040441337 AZVHYTIYKSLUIS-UHFFFAOYSA-N 437.499 4.551 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)O1 2073939212 XUSGRYTYVSYYFJ-VABKMULXSA-N 446.632 4.979 30 10 IJEE O=c1cc(-c2cc(F)cc(C(F)(F)F)c2)[nH]c2c(Br)c(C(F)(F)F)nn12 2080935920 BIPJWLHYBXOUKJ-UHFFFAOYSA-N 444.104 4.629 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](Nc2cccc(Br)c2C#N)(C(F)(F)F)C1 2105981602 NJZLDBPRHRORGT-MRXNPFEDSA-N 434.256 4.675 30 10 IJEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cccc(Br)c1Cl)NCCC 2110499883 DRJMGXGMKMQHNJ-SJORKVTESA-N 443.813 4.930 30 10 IJEE N#C[C@@H](C(=O)c1ccccc1I)c1ccc(Br)cc1F 2146604558 PCPALGQYMNWGAJ-GFCCVEGCSA-N 444.041 4.683 30 10 IJEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(Br)cc1C#N 2174569228 XHVFUCKFSCVWBZ-RTBURBONSA-N 434.378 4.685 30 10 IJEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)Cc1ccc(Br)cc1C#N 2174590556 FPCKDXRMVALJLD-BEFAXECRSA-N 436.394 4.788 30 10 IJEE CC(C)(C)OC(=O)N1C2CCC1(CC(=O)Nc1ccc(C#N)cc1Br)CC2 2181047166 SUOKZWLBWFZILK-UHFFFAOYSA-N 434.334 4.581 30 10 IJEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](NCCC)c2cc(Br)nn2C(C)C)C1 2232455287 LPWKDNQGDNTILP-QGZVFWFLSA-N 441.414 4.881 30 10 IJEE CN[C@@H](C#Cc1ccccc1Br)c1cccc(CNC(=O)OC(C)(C)C)c1 2235721243 AVRMIOVXFOCOBM-FQEVSTJZSA-N 429.358 4.786 30 10 IJEE CCN[C@@H](C#Cc1ccccc1Br)[C@H](CNC(=O)OC(C)(C)C)CC1CC1 2235724012 FTEOJFHQJPQTFD-ICSRJNTNSA-N 435.406 4.720 30 10 IJEE N[C@H](C#Cc1ccc(Br)cc1)CCCCCNC(=O)OCc1ccccc1 2253313865 WZQUPECHVZRPIP-NRFANRHFSA-N 429.358 4.615 30 10 IJEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2268229141 BNOUGLRLXJTWSH-UHFFFAOYSA-N 442.365 4.746 30 10 IJEE C=CCCC1([C@H](O)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2272715748 PCVOHTNMZPHYFC-MRXNPFEDSA-N 432.305 4.964 30 10 IJEE C=CCCC1([C@H](NC)c2cc(Br)nn2CCC)CN(C(=O)OC(C)(C)C)C1 2281054389 WWNMIJQYAISFBX-QGZVFWFLSA-N 441.414 4.519 30 10 IJEE CCOC(=O)c1ccc(N=C2SC(=Cc3c(C)n(C)c4ccccc34)C(=O)N2C)cc1 2293769061 SDNJGLMJSKZRHZ-UHFFFAOYSA-N 433.533 4.897 30 10 IJEE CN[C@@H](C#Cc1cccc(Br)c1)C[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2296219495 OWJGEZVFMDTTJL-MJGOQNOKSA-N 435.406 4.672 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@H](O)C#Cc1cccc(Br)c1 2296225496 VVYHPWPMCPEYSP-DENIHFKCSA-N 430.342 4.602 30 10 IJEE CN[C@H](C#Cc1ccc(Br)cc1)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2296305395 SXUYHEJXZKTUHV-MISYRCLQSA-N 435.406 4.862 30 10 IJEE C=C(C)CN(Cc1ccccc1)C1(C(=O)O)CCC2(CC1)C[C@H]2NC(=O)OC(C)(C)C 2305315458 CBZRSNWEDHAZED-NWSMCOELSA-N 428.573 4.746 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2314429436 HFLDZSSESABCFS-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE CCOC(=O)c1ccc(CSc2nnc(C3CC3)n2N=Cc2c(F)cccc2Cl)o1 2320849883 UVVDKHRDCJWMDK-UHFFFAOYSA-N 448.907 4.892 30 10 IJEE COc1cccc(C=C2Oc3cc(OC(=O)c4cc(OC)cc(OC)c4)cc(C)c3C2=O)c1 2322799235 HHYOAMUEYCKUJN-UHFFFAOYSA-N 446.455 4.856 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OCC(=O)NCc3ccco3)c2)cc1Cl 2323310317 RMGWDJBHMVWJPC-UHFFFAOYSA-N 425.868 4.533 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(OC)c2)cc1 2323647667 HFJHTPNKZAFIII-IBGZPJMESA-N 445.515 4.856 30 10 IJEE CCCCCCCOc1ccc(C(=O)C=Cc2ccc(OCC(N)=O)c(OC)c2)cc1 2324210934 DYXVPDOESAOURF-UHFFFAOYSA-N 425.525 4.805 30 10 IJEE COc1cc2c(cc1OC)CN(Cc1c(O)ccc3c1OC(=Cc1cccs1)C3=O)CC2 2324211099 YECJEPKPQAFKLD-UHFFFAOYSA-N 449.528 4.645 30 10 IJEE CCOc1ccc(C=Nn2c(CCCOc3ccccc3C)nnc2SC)cc1OC 2327047068 XKQAJTBGNJMALU-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE CCOc1ccc(Cc2nnc(SCCCO)n2N=Cc2cccc3ccccc23)cc1 2328569297 LFCPUNTXOSUPNE-UHFFFAOYSA-N 446.576 4.778 30 10 IJEE CCCOC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1ccccc1Cl 2329697698 COPNUBYRGCQEOL-UHFFFAOYSA-N 449.001 4.706 30 10 IJEE O=C(C=Cc1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1)c1cccc(Br)c1 2331004318 KNPSDNVWXVVEHH-UHFFFAOYSA-N 430.254 4.959 30 10 IJEE CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N=Cc1cccc2ccccc12 2331649033 QATHCGKPKXBAGW-UHFFFAOYSA-N 434.521 4.938 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339598357 BOLCNJPJFJYTDM-LDEKQHKXSA-N 444.381 4.941 30 10 IJEE C=CCOc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OCC)c1 14783851 XQUZDOGNKZNYJF-UHFFFAOYSA-N 435.343 4.539 30 10 IJEE CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O)c(OCC)c2)cc1 20881499 QGRVMZDXZRAEHS-QUCCMNQESA-N 435.520 4.584 30 10 IJEE COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)cc4)cc(C)c3C2=O)cc1 41285322 BFXAOGVURHJQKB-XKZIYDEJSA-N 444.439 4.626 30 10 IJEE COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)cc(C)c3C2=O)cc1 41289603 VFLOIINGECHGIB-FMCGGJTJSA-N 446.455 4.856 30 10 IJEE CCCCc1ccc(NC(=O)C[C@H]2S/C(=N\C34CC5CC(CC(C5)C3)C4)NC2=O)cc1 72434756 FBGOVKZNQGFTGF-YVXFQLMNSA-N 439.625 4.914 30 10 IJEE COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccc3F)nn21 96319735 RPXBHCCXDBJMED-NRFANRHFSA-N 436.512 4.740 30 10 IJEE CCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(F)c3)N(CC)C2=O)cc1 101613790 DZFNKPLEOJVFPJ-FOFUNRBPSA-N 429.517 4.595 30 10 IJEE Cc1cc(Br)c(O)c(/C=N\CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 101640112 UPSLXFRERMUDCZ-AFPJDJCSSA-N 446.223 4.921 30 10 IJEE Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\C(=O)c2ccc(Cl)cc2)N3)cc1 104500075 GDLDLFNOZFPMNO-LPYMAVHISA-N 445.906 4.709 30 10 IJEE COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(C)o3)oc12 136460591 WZYXVZNIVCWRTF-OAQYLSRUSA-N 444.443 4.516 30 10 IJEE CCOc1ccc(/C=N\n2c(Cc3ccccc3)nnc2SC)cc1Br 169916149 HZWDWQDGRKEFRJ-BKUYFWCQSA-N 431.359 4.634 30 10 IJEE COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1c1ccccc1C 169946427 MBSFSHIYSFFLAJ-FQEVSTJZSA-N 434.517 4.860 30 10 IJEE Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(O)cc2)c1C 169960935 XWBMWSSHXPBBPC-QFIPXVFZSA-N 444.443 4.700 30 10 IJEE COc1ccccc1C(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2C)[C@@H]1c1cccnc1 170009208 XLQGWMUPFKGRQC-OAQYLSRUSA-N 434.879 4.835 30 10 IJEE Cc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2ccccc2O)c1 170141460 UNNGOBZETOBTJB-VOIUYBSRSA-N 441.483 4.807 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)ccc1OC(C)C 170162198 FXRHUDCQQPKYFY-UWJYYQICSA-N 441.549 4.601 30 10 IJEE COc1ccc(Cl)c(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccn2)c1 170174385 GTQWNYOSLQKYBQ-NRFANRHFSA-N 434.879 4.835 30 10 IJEE CC1CCN(c2ccc(N3CC(=O)C(c4nc(-c5ccccc5)cs4)=C3N)cc2)CC1 170179046 PTVKQQMTOLYWRF-UHFFFAOYSA-N 430.577 4.763 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)ccc3O)[C@@H]2c2cccnc2)cc1 170190082 CRUMHJXMRXUGDD-HSZRJFAPSA-N 444.487 4.667 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccncc2)cc1Cl 170199987 LATPSSPWAVZYPF-FQEVSTJZSA-N 438.842 4.666 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)cc(C)c3)[C@@H]2c2ccncc2)cc1C 170200504 URGBMSWWSWAYCY-HSZRJFAPSA-N 428.488 4.798 30 10 IJEE Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccco1 170284432 PPXDKEMTGMOEKV-OAQYLSRUSA-N 435.863 4.959 30 10 IJEE Cc1ccsc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)=C(O)C(=O)N1Cc1ccccn1 170316709 QREPKIZSPHXKHQ-VFNWGFHPSA-N 446.528 4.553 30 10 IJEE O=C(C1=C(O)C(=O)N(c2ccc(N3CCCC3)cc2)[C@H]1c1ccc(O)cc1)c1cccs1 170338719 SJCJUUAHNOUGKA-QFIPXVFZSA-N 446.528 4.837 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1)c1ccncc1 170416022 HBVDQLGSHHELAF-GOSISDBHSA-N 444.434 4.940 30 10 IJEE CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc(C(F)(F)F)c1 252606841 GWEUAOVDDMRLAS-KRWDZBQOSA-N 435.471 4.994 30 10 IJEE CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 252627811 SCALCBOBSUZSLB-UHFFFAOYSA-N 441.940 4.603 30 10 IJEE CCOc1cc(/C=N/O)cc(I)c1OCc1ccc(F)cc1Cl 253573386 RJGLEABXYHBVRE-DNTJNYDQSA-N 449.647 4.870 30 10 IJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460947323 QZSBQWJIDYGWDJ-SANMLTNESA-N 427.552 4.533 30 10 IJEE C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccc(-c2cccnc2)cc1 476636501 WFWXKQYWJWZLEF-KRWDZBQOSA-N 430.533 4.570 30 10 IJEE C=C[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)c1ccccc1 501217988 ZXHTVNQQQWLGKQ-SIKLNZKXSA-N 428.536 4.728 30 10 IJEE C=CCCc1ccccc1NC(=O)NCCC(=O)N(C)Cc1ccccc1Br 505006385 STVASLDUVLLBSO-UHFFFAOYSA-N 444.373 4.738 30 10 IJEE C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 508874021 PMGGCTGQBSTHKV-YKSBVNFPSA-N 448.567 4.807 30 10 IJEE COc1ccc(/C=N\n2cnnc2SCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 526815082 VHZFDPDQGLCTJX-WNFQYIGGSA-N 438.296 4.676 30 10 IJEE CCCCc1nnc(SCc2ccc(C(=O)OCC)o2)n1/N=C\c1cccc(OC)c1 526830768 WHUILPRQSJCFQW-UCQKPKSFSA-N 442.541 4.574 30 10 IJEE C=CCn1c(COc2ccccc2F)nnc1Sc1ccc2ncccc2c1[N+](=O)[O-] 535008306 OLYGSQONKAVJHH-UHFFFAOYSA-N 437.456 4.790 30 10 IJEE COC(=O)c1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1Br 548737507 WSULBRMPMZLMRC-PKOBYXMFSA-N 442.313 4.539 30 10 IJEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 558990299 RQDFSGVYIBGHQH-OAQYLSRUSA-N 427.593 4.767 30 10 IJEE C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 582798174 GEXWOBCPCAJXHG-XMMPIXPASA-N 448.567 4.637 30 10 IJEE C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)N(C)Cc3ccccc3)C2)c1 585966432 NBSGEJJSEDGCSV-XMMPIXPASA-N 448.611 4.970 30 10 IJEE COc1ccccc1/C(O)=C(/C(=S)Nc1ccccc1C#N)[n+]1cc(O)cc(Cl)c1 738013216 OAMDYOMAYGXWQO-UHFFFAOYSA-O 438.916 4.537 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Br)c(OC)s2)cc1Cn1cccn1 746519572 DDUQKXJOTYFPRK-AATRIKPKSA-N 433.327 4.669 30 10 IJEE C=C(C)[C@H](CO)SC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(OC)c(Cl)c1 753856930 BJBHZYYVRQZTFC-BXBHGGAKSA-N 434.970 4.824 30 10 IJEE CC(C)c1cccc(-c2ccc(C(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)o2)c1 787061040 BFSCJENELGRDCG-HXUWFJFHSA-N 431.448 4.617 30 10 IJEE C#CCOc1cccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)c1 788211163 WBOHVJMCJOLJMM-LJQANCHMSA-N 443.931 4.650 30 10 IJEE C#CCn1ccc(CN(CC)C(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 789116536 IWBMRFQNXZHRJX-UIOOFZCWSA-N 426.564 4.909 30 10 IJEE C=CCN(C(=O)c1c(F)cc(OC)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1124352537 JXTXMHMTOSLIGV-UHFFFAOYSA-N 431.420 4.838 30 10 IJEE C=CC[C@@]1(C(=O)NCc2ccccc2CN2CCCCC2)CCCN1C(=O)OC(C)(C)C 1124584387 OVEJFIUDRAUNKH-SANMLTNESA-N 441.616 4.635 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCC2CCCC2)c1 1124948489 QTVNWOVTWQSRCA-UHFFFAOYSA-N 432.973 4.641 30 10 IJEE C#CCN(C(=O)Cc1nsc2ccccc12)[C@@H]1CCOc2ccc(Br)cc21 1126151131 LTIJDURWHSVGJD-GOSISDBHSA-N 441.350 4.587 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2Br)cc1OC 1126342818 GLTBRDGLBNDIDU-WEVVVXLNSA-N 448.269 4.687 30 10 IJEE C=CCOc1ccc(COC(=O)c2cnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 1127955864 KHSHTZSFOGPHLC-UHFFFAOYSA-N 442.512 4.711 30 10 IJEE C#CCSc1ccc(COC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1128036695 QDTCSDWRHOYLCL-UHFFFAOYSA-N 446.553 4.594 30 10 IJEE C=CC[C@@H](OC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 1128330445 LLXREAFRFXCXEY-ZACQAIPSSA-N 430.328 4.836 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 1129783815 FIGUHDNZWNAGFX-QHCPKHFHSA-N 449.572 4.988 30 10 IJEE C#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)C(C)(C)C 1141644782 VBXIYKZZEKGOIQ-GOSISDBHSA-N 439.364 4.572 30 10 IJEE C=CCOc1ccccc1CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O 1146895048 ILYJXZAUBDEKFX-UHFFFAOYSA-N 442.924 4.854 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1 1156500499 PMGQQRJKEZAHKY-QGZVFWFLSA-N 429.483 4.960 30 10 IJEE Cc1c(C#N)c(NC(=O)CSc2ccc3[nH]ncc3c2)n(Cc2ccc(F)cc2)c1C 1166336848 BASKZLLXTJLEPC-UHFFFAOYSA-N 433.512 4.771 30 10 IJEE C=CCCCC[C@H](C)NC[C@H]1CCCN1Cc1ccc(I)cc1 1205531023 URUFOANGQLXDKM-FXAWDEMLSA-N 426.386 4.980 30 10 IJEE C#CC[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2Cl)c2ccc(OC)cc2OC)C1 1222481542 MTJWOQUDFFJCIW-HXOBKFHXSA-N 426.944 4.892 30 10 IJEE C=CCS(=O)(=O)CCNC(=O)N(Cc1ccc(-c2ccccc2)s1)C1CCCCC1 1230745313 GTMRLUVZRARPCO-UHFFFAOYSA-N 446.638 4.860 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1ccccc1[S@@](=O)C(F)(F)F 1275389243 HZHIPWLTTRRUNB-AREMUKBSSA-N 448.260 4.894 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1286281354 FLYGSFBEHZWBGT-VSKRKVRLSA-N 444.627 4.709 30 10 IJEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](SC)C(C)(C)C)CC1 1286638753 LTNKVQZBUTZRET-INIZCTEOSA-N 438.439 4.970 30 10 IJEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)C2(CCC2)C1 1286674562 GQLRPCRPSNXTJD-SFHVURJKSA-N 441.645 4.888 30 10 IJEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc2c(c1)OCCCO2 1286681404 VYAVKISHDNTGON-OAQYLSRUSA-N 426.561 4.522 30 10 IJEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1286688313 WFZLWDUETWOXKC-NRFANRHFSA-N 425.577 4.568 30 10 IJEE C=CCCCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286691476 IGMLJQYEAINXCJ-FQEVSTJZSA-N 445.007 4.998 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCC1(COC)CCC1 1286719403 MBOLGBJNEVLBCY-UHFFFAOYSA-N 433.394 4.845 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1Oc1cccc(F)c1 1286722569 MLYDOWFCNPDLER-UHFFFAOYSA-N 430.487 4.645 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286747025 GQDSOOAUKYPMIB-KDURUIRLSA-N 445.677 4.718 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)OC 1286760090 JRWJDPSNBBUFTR-UHFFFAOYSA-N 425.964 4.654 30 10 IJEE C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1286769628 FVCHKXRGQRFNGL-ZWKOTPCHSA-N 449.368 4.817 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1300384772 VDTXTAWQGDQNLM-UUOWRZLLSA-N 428.552 4.612 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@H](F)C1 1300650570 VELCFOBYLNYCNW-QUCCMNQESA-N 441.551 4.551 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCOC2(CCCCCC2)C1 1300884423 KLXUEJINSVZZHP-IFMALSPDSA-N 430.637 4.778 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC2(CCC2)C1 1301028796 AECZXOUCDAYPHB-UHFFFAOYSA-N 437.769 4.849 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cccnc2OCCCC)CC1 1301096085 WHZGFKPSZUQKBH-UHFFFAOYSA-N 447.583 4.944 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(C)(C)OCC)CC1 1301111918 JTYJGRGWPYHEGK-UHFFFAOYSA-N 433.394 4.925 30 10 IJEE C=CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1301186140 RDOZKGBUCBSVQL-RTBURBONSA-N 434.588 4.684 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS[C@H](C)C1 1301187193 RTHSYAGAZBQRDX-RTBURBONSA-N 449.665 4.691 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1301347080 ODKQOMUICMJSDL-SFHVURJKSA-N 425.577 4.604 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccc(F)cc1 1301359810 PSSZRFHMHMFECC-HSZRJFAPSA-N 437.544 4.574 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)c1ncc(C)s1 1301405658 VFMISWFSFWQACD-OXQOHEQNSA-N 437.569 4.538 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](C)c2nccs2)C1 1301540018 YURFEAQVZBRMJN-HMXCVIKNSA-N 437.613 4.862 30 10 IJEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCOCC1 1303909896 DKGMVHZPSDANDA-UZUQRXQVSA-N 443.979 4.628 30 10 IJEE C=CCn1c(S[C@H](C)C(=O)NC2CCC(C)CC2)nc2sc3c(c2c1=O)CCCC3 1307261124 MAGSTKROCRSYID-HWOWSKLDSA-N 445.654 4.698 30 10 IJEE Cc1ccc2c(c1)O[C@@H](C)CN2CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1307518642 GXCTYYGNKHHVPY-SFHVURJKSA-N 428.536 4.559 30 10 IJEE C#CCOc1cc(F)ccc1NC(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1 1310374335 NQKQRNGOXSCUDK-UHFFFAOYSA-N 434.467 4.766 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 1347897893 HOSHDJZQPQJKHF-HKUYNNGSSA-N 430.298 4.588 30 10 IJEE C=CCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc(OC)c1OC 1349146140 HBSRWKOUTVQWSQ-UHFFFAOYSA-N 446.459 4.824 30 10 IJEE CC[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1cccc(Br)c1 1353934442 DAMRSKFXYGETNW-GFCCVEGCSA-N 440.263 4.733 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 1357804478 XFAUQRALYJQPAW-GFCCVEGCSA-N 428.248 4.849 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1OC 1358230847 DUUMPZFHEZUCCX-WQLSENKSSA-N 426.476 4.850 30 10 IJEE CCOC(=O)Nc1ccc(F)c(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 1358318891 GIRCROCWMAISCU-UWVGGRQHSA-N 430.320 4.597 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1358944584 ZIRVDOXORGUCKJ-DLBZAZTESA-N 436.478 4.715 30 10 IJEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359119223 COYUBRAYEJYZTN-INIZCTEOSA-N 436.387 4.713 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1359145058 DTCCYNFRXASBET-UHFFFAOYSA-N 443.891 4.555 30 10 IJEE C=CCCCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCO[C@H](C)C1 1359197051 BMEOXLVCHOBORR-QTEQDKRBSA-N 440.588 4.788 30 10 IJEE C=CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359197805 ALOYFCGJLXIRQZ-JOCHJYFZSA-N 442.567 4.711 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C)[C@H]1c1cccs1 1359234330 LOZPBOXHYXCGAH-IFMALSPDSA-N 432.597 4.584 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(C)nc1)C1CC1 1359247764 OLYGAJWGVHPGGS-UHFFFAOYSA-N 442.336 4.753 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC2(F)CCC2)C1 1359315114 OGBUIHHIUVKHGJ-GOSISDBHSA-N 449.368 4.771 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(F)(F)C2)C1 1359316433 OMTNQTOQUWOUTB-GOEBONIOSA-N 440.897 4.954 30 10 IJEE C=CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC1CC(F)(F)C1 1359338016 JEFJJNVLXGZJLN-UHFFFAOYSA-N 444.555 4.736 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2n[nH]c(-c3cccc(Cl)c3)n2)s1 1434898566 DFOSRZSTLWBEJM-UHFFFAOYSA-N 440.381 4.916 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)c1cccc(C(=O)N2CCCCC2)c1 1436641696 VGGKZESVRFHHRU-UHFFFAOYSA-N 443.341 4.892 30 10 IJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 1441734848 OGFCTKWRHANJPQ-FQEVSTJZSA-N 429.561 4.547 30 10 IJEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC2CCCCC2)c2ccccc2)s1 1442903244 GJTOECVIVHDWLX-NRFANRHFSA-N 446.638 4.583 30 10 IJEE CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(O)n(C)c2c1 1448183141 YSXKGPUQHNAOOL-GOSISDBHSA-N 432.565 4.861 30 10 IJEE C#C[C@@H](CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 1448961988 KCQJTXQGEHBAQR-ZDUSSCGKSA-N 445.755 4.589 30 10 IJEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccc(Br)cc1C 1454653703 DKBIESRBZKRIOT-OALUTQOASA-N 449.389 4.728 30 10 IJEE N#Cc1cccc(NC(=O)CN2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)c1 1460199466 CYHDOPCEYPPKNB-AREMUKBSSA-N 430.596 4.654 30 10 IJEE C=CCn1c(SCC(=O)NC[C@H](C)CC(F)F)nnc1-c1ccc(Cl)cc1Cl 1461127212 MBWFSFYTGXTWTP-LLVKDONJSA-N 449.354 4.938 30 10 IJEE C=CC1(CC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CN(C(=O)OC(C)(C)C)C1 1466033424 GNGGWWBQDSKUOL-NRFANRHFSA-N 441.959 4.754 30 10 IJEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCCc2ccccc21 1468419173 PNQXPSQMIATXEL-QHCPKHFHSA-N 427.504 4.754 30 10 IJEE C=CCN(CC=C)[C@H](CNCc1cc(C)c(I)cc1C)C(C)C 1473927374 KBEWTJAQYPCIJP-HXUWFJFHSA-N 426.386 4.696 30 10 IJEE C#CCCS(=O)(=O)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 1475238615 ZLDMHRNWQLPSGD-HXUWFJFHSA-N 425.472 4.501 30 10 IJEE C#CCN(C(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C)C1CCCCC1 1478754787 DKKWBUUFYYHEHT-UHFFFAOYSA-N 425.573 4.852 30 10 IJEE C#CCCCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](CCC)C1 1507576796 MTHUVDVEQXTGTE-NRFANRHFSA-N 434.540 4.536 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CCCCC3)n1CCc1csc(CC)n1 1507681778 BCAHAWCCQRCWGV-UHFFFAOYSA-N 439.654 4.997 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cnc(C)s1 1507814837 JCXLTZWDGFHDJQ-UHFFFAOYSA-N 441.601 4.957 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H](OC)C(F)(F)F 1507819846 VKNMOSSXEGDXFB-IBGZPJMESA-N 448.493 4.705 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2csc(COC)n2)CC1 1507879573 DPPXQRNPLYBEEG-UHFFFAOYSA-N 433.940 4.545 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1507879846 XJSGOMNKJUCENB-CLOONOSVSA-N 442.604 4.696 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 1507880910 NUMFDTISSIEPJA-HXUWFJFHSA-N 425.964 4.959 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1507909369 CTCXCFQFUZKDGX-RDGATRHJSA-N 440.588 4.616 30 10 IJEE C=CCC(C)(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC1(C)C 1507914113 FDJFYEMBVNGVCM-UHFFFAOYSA-N 434.588 4.656 30 10 IJEE C=CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC2(CCCC2)C1 1507925788 KNOYWAFZJBMWPQ-UHFFFAOYSA-N 434.382 4.541 30 10 IJEE C=CC[C@@H](Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C(C)(C)C)c1ccccc1 1507928082 HRQUBAGNUMSZBN-NRFANRHFSA-N 437.632 4.630 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCC=C(C)C)C1 1508111377 DZDYQLLTPOXRMN-QGZVFWFLSA-N 431.378 4.845 30 10 IJEE Cc1csc([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cccc(C#N)c2)n1 1511440991 GGWJXVGKTKDSQO-HNNXBMFYSA-N 432.553 4.923 30 10 IJEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C1 1515034857 DSVBPVNKBWQQAE-VRUMLPLGSA-N 449.551 4.695 30 10 IJEE COC1(Cn2c(Cc3ccc(F)cc3)nnc2N(CCC#N)CC2CC2)CCC(C)CC1 1517932554 DOXVENQAXDGAAC-UHFFFAOYSA-N 439.579 4.733 30 10 IJEE C[C@H]1CCc2sc(NC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)c(C#N)c2[C@H]1C 1524020258 GCWCKXMWDIXXPS-QWRGUYRKSA-N 442.484 4.851 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(F)cccc1-n1cccn1 1529486196 XEIGYCSDQRLQDF-UHFFFAOYSA-N 432.268 4.741 30 10 IJEE Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(C)[C@H](C)c3cccc(C#N)c3)cc2)cc1 1529665570 FPQTYRWHWVQJJT-LJQANCHMSA-N 432.545 4.674 30 10 IJEE C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1 1529814818 RGZAHTVJDDFMAR-UHFFFAOYSA-N 431.488 4.547 30 10 IJEE C=C(C)Cn1c(SCC(=O)Oc2ccc(C3CCOCC3)cc2)nnc1-c1ccco1 1534436841 UXNCGPKXBTZBBF-UHFFFAOYSA-N 439.537 4.706 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCO[C@@H]1C(C)C 1539035084 LZULCCDQPCULCZ-XGHQBKJUSA-N 433.021 4.743 30 10 IJEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1Cc1csc(CC)n1 1539153326 AGNJPHFTNPKRJJ-UHFFFAOYSA-N 434.594 4.514 30 10 IJEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1539155513 WQOASNRJJDAJPX-IEBWSBKVSA-N 445.405 4.618 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(C)CCCS1 1539305311 WOSIGACLXCSWDI-LJQANCHMSA-N 449.443 4.518 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCC[C@@H]1CC 1539546704 JWROYMMLDQJQQB-YADARESESA-N 443.998 4.994 30 10 IJEE C=C(Br)Cn1c(CSc2ccccc2OC)nnc1N1CC=C(C)CC1 1539608613 AWECGSUVLYVECY-UHFFFAOYSA-N 435.391 4.644 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccco1)N(C)C 1539662484 URNSSFNBDULFHO-JOCHJYFZSA-N 432.572 4.735 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cccc(Br)n2)CC1 1539835593 DPWJBOYFRZKQLB-UHFFFAOYSA-N 444.764 4.961 30 10 IJEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1539915617 CGFCGIHXUDPQNJ-LJQANCHMSA-N 426.561 4.530 30 10 IJEE C=CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC(=O)Nc1ccc(F)cc1 1540054327 PFLASEYSRJDRMC-HNNXBMFYSA-N 439.560 4.531 30 10 IJEE C=CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H]1CCSC1 1540191625 NXAKKPFVZALCFC-DLBZAZTESA-N 432.659 4.523 30 10 IJEE C=CCOc1ccccc1CN(C(=O)c1cnn(C(C)(C)C)c1)c1ccc2c(c1)OCCO2 1543115514 PYUOPYIDOHKGBH-UHFFFAOYSA-N 447.535 4.821 30 10 IJEE C=CCOCC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1Br)CCC2 1543970858 PASOLFAXULZCSW-UHFFFAOYSA-N 434.355 4.680 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1544784959 UIUXTTUQTJYJFN-ZBFHGGJFSA-N 438.427 4.838 30 10 IJEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCS2)CC1 1546703072 FMVAOGKTLQJNLF-HSZRJFAPSA-N 425.602 4.641 30 10 IJEE CN(Cc1ccc(F)cc1C(F)(F)F)C[C@@H](O)COc1ccccc1C(F)(F)F 1560645769 DOPUDSVGQTZMAM-CQSZACIVSA-N 425.344 4.735 30 10 IJEE Cn1cc(-c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c2)nn1 1563086474 BOCLYDUHFSJNMV-UHFFFAOYSA-N 440.482 4.727 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOc1ccc(C)cc1C 1563858828 KKKNMZMUJIXGRF-UHFFFAOYSA-N 435.337 4.982 30 10 IJEE Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)nnn1Cc1ccc(F)cc1 1583845350 CBLJELVKCAZYFD-MRXNPFEDSA-N 437.544 4.720 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1C[C@H](C)O[C@H](C)C1 1587807777 IQVDQXSFADBLAX-CEXWTWQISA-N 430.980 4.715 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCOC1CCCCCC1 1589676300 PTKCKNNEUWQDIT-UHFFFAOYSA-N 436.604 4.658 30 10 IJEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCC(F)(F)CC2)CC1 1594192031 CLOQHIHDKHFZFB-JOCHJYFZSA-N 438.563 4.547 30 10 IJEE C=CC1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2nccc(C(F)F)n2)CC1 1594195040 ZHWSNSINXJSVCP-LJQANCHMSA-N 438.526 4.998 30 10 IJEE C=CCCCCn1c(C(C)C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1594567906 SZIUUUVMCHIMQM-UHFFFAOYSA-N 430.984 4.661 30 10 IJEE C=CCCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccoc1 1594616644 SKVJWRYWNYYUML-HXUWFJFHSA-N 443.592 4.978 30 10 IJEE C=CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H](C)O[C@H](CC)C1 1594692660 BWDYELQNZJNIGA-HZPDHXFCSA-N 449.393 4.686 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccsc1)N(C)C 1595156716 OSUXULGVHFERTK-HXUWFJFHSA-N 438.626 4.892 30 10 IJEE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H](C#N)C1 1595208826 CBMNDEGSUPBUNU-KBMIEXCESA-N 445.563 4.702 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1595283069 MGHHJYWYVXYMCI-KESTWPANSA-N 441.938 4.890 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccc(OCC)cc1 1595343257 ISNFKOQJUHDUNB-UHFFFAOYSA-N 433.375 4.990 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1611234126 CCBKVJFWNFTMMV-UWJYYQICSA-N 447.432 4.757 30 10 IJEE CC[C@H](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1)OC 1613137250 BSLAVCGFYBLSTN-CDNPAEQRSA-N 437.588 4.621 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1 1618174383 WOSKPWIQIXJCPS-ACJLOTCBSA-N 429.567 4.821 30 10 IJEE C=CCCC[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 1618406981 GLUFPHBLUZJZPL-HXUWFJFHSA-N 430.508 4.595 30 10 IJEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1(CC#N)CC1 1618494638 IWBSLFKCCXMCFQ-DEOSSOPVSA-N 443.547 4.670 30 10 IJEE C[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)c1cc(C(F)(F)F)ccc1F 1621956823 CVLPPHKBZTXNGF-SNVBAGLBSA-N 429.357 4.773 30 10 IJEE CC(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 1622017019 FYDOFJWCPZHKIG-GOSISDBHSA-N 447.560 4.859 30 10 IJEE C=CCC1(CNC(=O)Nc2cccc(NC(=O)COc3ccccc3OC)c2)CCCC1 1622920540 AZLDFNQBYAACPZ-UHFFFAOYSA-N 437.540 4.971 30 10 IJEE CSc1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1Br 1626404285 CXTXCZCFPLMPNQ-UHFFFAOYSA-N 449.349 4.536 30 10 IJEE C=CC[S@](=O)(=NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 1627429297 ALIFQDBOLPOUEX-GTYOFVGBSA-N 432.545 4.788 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1N1CCCCC1 1628899422 MLWXYCIBHAGIAY-QGZVFWFLSA-N 443.922 4.930 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 1634121829 ARDIXHXUDMLCPD-YLJYHZDGSA-N 435.540 4.605 30 10 IJEE C=CCOCCCC(=O)Nc1ccc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 1634356645 QPFFQFOFHGHEET-UHFFFAOYSA-N 442.560 4.599 30 10 IJEE C#C[C@H](NC(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1)c1ccc(Cl)cc1F 1636567016 KXTKNUGLORDLMD-FQEVSTJZSA-N 437.906 4.528 30 10 IJEE C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cccc2c1OC(F)(F)O2 1641019143 MBCFCIVFXDVIIN-UHFFFAOYSA-N 431.464 4.965 30 10 IJEE C=CCn1c(SCC(=O)Cc2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1 1651648016 BMBDIECZIKDKCB-HXUWFJFHSA-N 441.940 4.534 30 10 IJEE C=CCN(Cc1cnc(NC(=O)OC(C)(C)C)s1)[C@@H](Cc1ccccc1)C(=O)OCC 1652206692 NUOLRZJNRPWYTE-IBGZPJMESA-N 445.585 4.653 30 10 IJEE COc1ccc(OC)c(CN(CC(=O)N(CCC#N)c2cccc(C)c2C)C(C)(C)C)c1 1652857363 HIHSROYUBGDQNI-UHFFFAOYSA-N 437.584 4.868 30 10 IJEE CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@H]3C3CCOCC3)c2C#N)C1 1653923875 CCXTZTYZCKGUCZ-NQIIRXRSSA-N 443.657 4.990 30 10 IJEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 1654476161 BKLFSDVHVRSKGZ-IVZQSRNASA-N 429.923 4.864 30 10 IJEE C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1661104177 ASXVBNQUTRYYSO-LLVKDONJSA-N 436.377 4.978 30 10 IJEE N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1Br 1661288411 DXZFOTIDXYUUCT-OAQYLSRUSA-N 441.350 4.583 30 10 IJEE CCc1ccc([C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)c2cccc(F)c2)cc1 1666174794 HWPPZOYVOCQBBB-NRFANRHFSA-N 430.451 4.606 30 10 IJEE CC(=O)c1ccc(NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 1667688122 GGDCXQJHHKGIML-TXEJJXNPSA-N 430.295 4.524 30 10 IJEE N#CCC[C@@H](NC(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1ccccc1 1671327442 BVDYHOGPFRLEJN-MRXNPFEDSA-N 430.480 4.557 30 10 IJEE C=CCC[C@@H](NC(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)c1ccc(C(F)(F)F)cc1 1673369850 LDGVECIQQFZHNQ-CABCVRRESA-N 440.384 4.896 30 10 IJEE N#Cc1ccc(C2=CCN(C(=O)NC[C@H](c3cccc(Cl)c3)N3CCCC3)CC2)cc1 1675451996 HLZZOMPGQJWIEO-XMMPIXPASA-N 434.971 4.847 30 10 IJEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCc2sccc2C1 1675860293 GUGOTAVJLBNOJC-ZLNRFVROSA-N 439.625 4.614 30 10 IJEE C=CCC[C@H](NC(=O)N[C@@]1(CO)C[C@H](OCC)C1(C)C)c1ccc(C(F)(F)F)cc1 1680854280 DRVJEHHDZWOBFD-BBTUJRGHSA-N 428.495 4.578 30 10 IJEE C#Cc1ccc(CNC(=O)NCCOc2c(Cl)cc(Br)cc2Cl)cc1 1681217445 WPRDYXXGYOREIM-UHFFFAOYSA-N 442.140 4.615 30 10 IJEE C#CCN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1Cc1ccc(F)cn1 1690060736 GREZZUVRICNYKY-UHFFFAOYSA-N 425.920 4.855 30 10 IJEE C=C(C)COCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C)[C@@H]1C 1690302819 MFNXAGAKJWXISP-GJZGRUSLSA-N 437.357 4.674 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 1690406635 MXXYHGMGAWEDNM-JOCHJYFZSA-N 436.629 4.887 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2OCC)CC1 1690426428 NLKOYLMNIWNNJY-UHFFFAOYSA-N 448.615 4.611 30 10 IJEE C=CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690474190 VDAQQOUNARSEOS-HZPDHXFCSA-N 449.368 4.676 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CCCO1 1690567538 HEBCMFZZDLKQRZ-DRLORSAXSA-N 438.616 4.958 30 10 IJEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCC(c3cnn(CC)c3)CC2)cc1 1690678896 DPJMBBWSUKQKMU-UHFFFAOYSA-N 434.588 4.615 30 10 IJEE C=CCSCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1690736908 SBWNCNGGHBGEAR-CHWSQXEVSA-N 439.448 4.781 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC(F)C1 1705653331 FIDSCOJMWGJCJH-KLHKWILBSA-N 436.984 4.622 30 10 IJEE C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705653838 QVRUENOHLFSUST-NZSAHSFTSA-N 436.547 4.821 30 10 IJEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)c1nccs1 1705657967 XSCFZQZNVUZYCQ-HNNXBMFYSA-N 432.018 4.661 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1CCc1n[nH]c(C)n1 1705711842 TUYXBRBADPGCBJ-UHFFFAOYSA-N 441.992 4.885 30 10 IJEE C=CC1CCN(c2nnc(CSc3ccccc3OC)n2CC(O)(CC)CC)CC1 1705785314 CYQMNNSDOMAZOH-UHFFFAOYSA-N 430.618 4.533 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1705791991 KEVQYYOJBSYNFS-ICSRJNTNSA-N 428.577 4.855 30 10 IJEE C=CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C2CCC1(C)CC2 1705817610 OKACWMAAUNKGMQ-JNDNBTNTSA-N 429.609 4.880 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(C)OCCc2sccc21 1705835059 ZAYJRQTWXYXURO-HJPURHCSSA-N 442.560 4.729 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC1C[C@@H](C)O[C@H](C)C1 1705838193 GNUSYUKQLIQRPN-QZTJIDSGSA-N 428.577 4.567 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccsc1 1705857934 NGDBSLYLHFCRDE-XMMPIXPASA-N 435.597 4.609 30 10 IJEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1705893821 HKJDFVOJAVVLEY-DNVJHFABSA-N 433.600 4.713 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cn3ccccc3n2)n1CCCC(C)(C)C 1711085396 FXYLEPLEWQBTDN-UHFFFAOYSA-N 441.583 4.851 30 10 IJEE COCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)CCC1 1712198839 IAWRSMULAPTRFE-FQEVSTJZSA-N 438.334 4.511 30 10 IJEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1C[C@H]1CCCCC(F)(F)C1 1712442522 ASUVDTPBLWCFMI-FQEVSTJZSA-N 443.542 4.896 30 10 IJEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCCC(C)(C)C 1722424283 ILRSTGVBNGBFOX-UHFFFAOYSA-N 433.394 4.620 30 10 IJEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CC[C@H]2CCN(Cc3ccccc3)[C@@H]21 1722477758 LGBPEZGBHGQOBX-OZOXKJRCSA-N 444.421 4.759 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C)[C@H]1C 1722497729 ZWLUYJDTHOFOSV-VIPLHTEESA-N 445.405 4.924 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1SC 1722509370 OTNKHGUBBKCFPQ-VWPQPMDRSA-N 442.629 4.859 30 10 IJEE C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS[C@@H](CC)C1 1722521330 HMWMBRGTUFDTSV-HNNXBMFYSA-N 437.407 4.624 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 1722587078 YFDYJVRLROVXDN-UHFFFAOYSA-N 439.007 4.851 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722612953 OHYIYNPOKVPVLL-QUCCMNQESA-N 445.405 4.988 30 10 IJEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722622328 HYECOWPBLKIPJM-LJQANCHMSA-N 443.617 4.560 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H]1CCCn2cc(C)nc21 1722637304 RTXAXKOCAKOYDS-OAHLLOKOSA-N 431.371 4.957 30 10 IJEE C=CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCCNC(=O)OC(C)(C)C)C1CC1 1722652148 DNRNJJWCVQBGDL-UHFFFAOYSA-N 445.995 4.592 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1C/C=C\c1ccccc1 1722665022 FINZZUGATURIIW-XFXZXTDPSA-N 438.373 4.938 30 10 IJEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N(CC)C2CCCC2)cc1 1722704945 QDCQUWNETUEMCF-UHFFFAOYSA-N 434.588 4.522 30 10 IJEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1723784469 CDDNHTZHFVGLJH-SSSFQFABSA-N 445.652 4.776 30 10 IJEE CC[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 1726931312 HZRXNOCWFANYOH-GOSISDBHSA-N 446.555 4.815 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCSC1 1740537999 BWEDVFFLSNMCEG-CHWSQXEVSA-N 439.810 4.572 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc3ccccc3c2Cl)n1CCN1CCC[C@@H]1C 1740540421 ZKLCFQOZWFLJHB-HOTGVXAUSA-N 428.005 4.755 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(Cl)cc2)n1CCc1ncc(CC)s1 1740559907 XHKJSDWZERWLNQ-OAHLLOKOSA-N 446.045 4.943 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F 1740560632 MMXKJRYGZIVZFA-CUWPLCDZSA-N 448.533 4.899 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H]1CCSC1 1740650895 RJHQAUGXDCXKGO-NRFANRHFSA-N 436.625 4.586 30 10 IJEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCc1csc(C(C)(C)C)n1 1740670348 LBNPMPQAORVLSJ-UHFFFAOYSA-N 442.032 4.979 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCc1ccccn1 1740725989 SDFJNWIBBXFWTP-HOYKHHGWSA-N 435.959 4.701 30 10 IJEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCc2sccc2[C@@H]1CC 1740740982 BIPMSKAHZIBYAN-HNNXBMFYSA-N 432.391 4.768 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)C/C(C)=C\c1ccccc1 1740757277 NVLHGJLYSFIUBA-VRIAFQMGSA-N 431.584 4.805 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)Cc1cccc(OC(C)C)c1 1740760492 JDLHHGVSQIRYQM-QPPBQGQZSA-N 426.605 4.881 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(CC)Cc1cccs1 1740763665 ODAFFBCKZATJTR-WIYYLYMNSA-N 428.627 5.000 30 10 IJEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(O)(CCC)CCC)CC1 1740822523 SLERQFHIXRFMTO-UHFFFAOYSA-N 434.588 4.619 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N(CC)CC)CC1 1740844198 FLMNAURPXRHMQN-UHFFFAOYSA-N 425.621 4.867 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 1740846425 YSFIDOXORZNGKR-UHFFFAOYSA-N 432.366 4.878 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1CC 1740850490 HNOBFGLBJTWJMK-RBUKOAKNSA-N 447.624 4.568 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1740893332 GJGNZTHPOCKCRH-WOJBJXKFSA-N 447.631 4.714 30 10 IJEE C=CCN(CC=C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1CCOCC1 1740926322 ZBEPSDGAKWMSCP-UHFFFAOYSA-N 435.597 4.982 30 10 IJEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCCCCC1 1740968416 IPUSMUADDYNBBA-UHFFFAOYSA-N 439.604 4.580 30 10 IJEE C=CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(F)F)C1 1740997830 CVLZPDOTHPDWIJ-KRWDZBQOSA-N 429.540 4.894 30 10 IJEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](c2ccco2)C1 1748698781 XWUWMICQMVEHEB-HXUWFJFHSA-N 431.540 4.538 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1csc(CC)n1 1748761328 ULFTVHAJNRCCDO-UHFFFAOYSA-N 429.977 4.579 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@H]1CCOC[C@@H]1C 1748917920 QJUBCICMADUJPZ-PKOBYXMFSA-N 438.572 4.945 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1CC1(CCOC)CCC1 1748944153 NTQXPVIBELHYFQ-UHFFFAOYSA-N 436.531 4.832 30 10 IJEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOC[C@H](C2CCC2)C1 1749411909 HOPCGBODOKMHMJ-UYAOXDASSA-N 428.552 4.776 30 10 IJEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](F)c1ccc(Br)cc1 1749482430 HGQJNRNLUXGIHP-QGZVFWFLSA-N 430.325 4.744 30 10 IJEE C=CCN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)OC)C1CC1 1749510585 LJRLZCQEABMWJT-LBPRGKRZSA-N 425.758 4.551 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1CCC1(O)CCC1 1749553029 DOEYCBFEKPLLPM-UHFFFAOYSA-N 426.561 4.567 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCC[C@H]2C)C1 1749696151 AJOZPOVIRXVDFY-FUMNGEBKSA-N 428.552 4.775 30 10 IJEE C=CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOC2(CCCC2)C1 1749760856 OXASCYQIJPWJLX-UHFFFAOYSA-N 442.629 4.543 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760103995 PTKUQFCEMZHUKI-MSOLQXFVSA-N 439.604 4.614 30 10 IJEE C#CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(Br)c1 1760161500 HSSDDHVTGWQHSN-MRXNPFEDSA-N 447.287 4.641 30 10 IJEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CC1CC2(CCOCC2)C1 1760222939 DMLMLROGKLKPIS-UHFFFAOYSA-N 448.636 4.549 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1ncccc1C 1760224134 YNBFYPPIGKWUPH-UHFFFAOYSA-N 441.579 4.504 30 10 IJEE C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]1c1ccco1 1760311972 HFUSGZKACHCMDY-INIZCTEOSA-N 447.308 4.839 30 10 IJEE C=CCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1760416042 SLHVAIUUZMINGH-DYESRHJHSA-N 428.552 4.602 30 10 IJEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1760429142 SQKRMVICIANCAF-UHFFFAOYSA-N 429.559 4.972 30 10 IJEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1CCC(OC)CC1 1760459991 NIRSXYQPXZSLFQ-UHFFFAOYSA-N 449.393 4.544 30 10 IJEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1760561062 OXOHVIGCRKFAQW-LJQANCHMSA-N 430.961 4.689 30 10 IJEE C[C@@H]1CCC[C@](Cn2c(CC3CCCC3)nnc2N(CCC#N)CC2CC2)(N(C)C)C1 1762818731 GWWNPGFVSNYFPI-NLFFAJNJSA-N 426.653 4.651 30 10 IJEE COc1ccc(-c2[nH]c3ccc(OC)cc3c2CCNC(=O)c2cccc(C#N)c2)cc1 1858024299 DAQZWXFIDZUIHP-UHFFFAOYSA-N 425.488 4.696 30 10 IJEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1)c1ccccc1 1861435834 GUFAVKVHMNLQJF-DEOSSOPVSA-N 438.531 4.566 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@@H]2c2ccccc2Br)cc1C 1862409311 HURWWORAQNZRPX-LJQANCHMSA-N 442.309 4.507 30 10 IJEE COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 1862420582 OBBOXBCYMGMACJ-NRFANRHFSA-N 443.490 4.877 30 10 IJEE Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2cc(Br)ccc2F)c1 1862497904 VMFMNPBONCBEEQ-IBGZPJMESA-N 444.300 4.946 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)ccc1F 1862503505 YSJNVYMADFIGGA-OAQYLSRUSA-N 436.870 4.961 30 10 IJEE CCOc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2cccc(C)c2)cc1 1862558925 CNXJXEBMIJSHKH-XMMPIXPASA-N 442.515 4.754 30 10 IJEE CCCOc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2Cc2ccccc2)c1 1862564248 VWWXGXANNMUYDB-DEOSSOPVSA-N 442.515 4.836 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(C3CC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1F 1862643745 UUWKJBHXYDYARE-SFHVURJKSA-N 436.266 4.882 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2ccc(C(C)C)cc2)[C@H]1c1ccc(C(=O)OC)cc1 1862666843 NHCYEUKRKCUZDJ-KSFYIVLOSA-N 435.520 4.973 30 10 IJEE Cc1ccc(CN2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1862679057 UONOQLJSIXZMRU-DEOSSOPVSA-N 444.506 4.979 30 10 IJEE CC[C@H](C)N1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(Br)c1 1862707785 DRJBYYMQIVRXPQ-DJJJIMSYSA-N 444.325 4.835 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)=C(O)C(=O)N1Cc1ccc(F)cc1 1862736721 NFWBUKKDRFZZCR-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE C[C@@H]1CCCC[C@H]1N1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 1862748909 LXOASDZLHHXMBV-YFZFPPMRSA-N 438.455 4.891 30 10 IJEE CN(C)c1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3C#N)C2=O)cc1 1862804335 DCUIFCXFZYCXKL-UHFFFAOYSA-N 442.906 4.674 30 10 IJEE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 1866822163 SDLVUWGLDVPEIN-YLJZTEMXSA-N 443.934 4.981 30 10 IJEE CCCCOc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1 1870162416 STJSSMZNCYIFGK-RBUKOAKNSA-N 435.915 4.713 30 10 IJEE C#CCOc1cn(CCCCC)c(CSc2nc3ccc(OC(F)F)cc3[nH]2)cc1=O 1870300862 ZCJJFMFJDAOOIO-UHFFFAOYSA-N 447.507 4.821 30 10 IJEE C#CCOc1cn(CCCCCCCCCC)c(CN2CCC(N(C)C)CC2)cc1=O 1870563712 LYWDPKSZRYTQOA-UHFFFAOYSA-N 429.649 4.527 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2cc(C)ccc2C)cc1=O 1870809935 CRHDZSLOSZFWAT-UHFFFAOYSA-N 448.563 4.902 30 10 IJEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CNc2cc(C)cc(C)c2)cc1=O 1870810318 XEEZFMQKOFKCQR-UHFFFAOYSA-N 448.563 4.902 30 10 IJEE COc1cccc(/C=C2\Oc3cc(OC(=O)COc4ccccc4OC)cc(C)c3C2=O)c1 1871370411 KMQWYRAXPDGLNO-QRVIBDJDSA-N 446.455 4.613 30 10 IJEE COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871428472 CWXVLFRTRJAQAB-CFRMEGHHSA-N 429.472 4.946 30 10 IJEE C=CCN(CC=C)c1nc(=NCCCCC)nc(Nc2ccc(Br)cc2)[nH]1 1871474076 NCSBYBWWWLUEME-UHFFFAOYSA-N 431.382 4.580 30 10 IJEE C=C(C)CN([C@H](CCCC)C(=O)Nc1ccc(Br)cc1)S(=O)(=O)CCC 1871748660 QTFLSQPUZCKDPE-GOSISDBHSA-N 445.423 4.564 30 10 IJEE C=CCN([C@@H](CCC)C(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 1871990995 LFSMXMIOZZPKNY-QHCPKHFHSA-N 428.598 4.904 30 10 IJEE C=CCN([C@@H](CC)C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872270151 QOYGGZBFVRQGMF-SFHVURJKSA-N 445.343 4.727 30 10 IJEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1872374177 GNDQCILYKXAKRE-LJQANCHMSA-N 442.915 4.602 30 10 IJEE CCCCCCCCCCNC1=C(c2cccs2)C(=O)N(C2CCN(C)CC2)C1=O 1873156001 PUUNWGBZTACCLV-UHFFFAOYSA-N 431.646 4.653 30 10 IJEE Cc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(Cc2ccccc2Cl)C1=O 1873296573 CMXIVNJCSAMJBP-UHFFFAOYSA-N 427.891 4.912 30 10 IJEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c(NCCCCN3CCCC3)ncnc21 1873634492 LYXBZEFAVXBAEN-UHFFFAOYSA-N 446.599 4.774 30 10 IJEE CCOc1cccc(/C=N/n2c(Cc3ccc(Br)cc3)nnc2SC)c1 1874212156 YYDPXFPMVIAPQJ-FYJGNVAPSA-N 431.359 4.634 30 10 IJEE COc1ccc(Cc2nnc(SCc3cccc(C)c3)n2/N=C/c2cccnc2)cc1 1874348994 OEFDNALDUBCIJM-WGOQTCKBSA-N 429.549 4.755 30 10 IJEE COc1ccc(Cc2nnc(SCc3ccccc3F)n2/N=C/c2ccc(O)cc2)cc1 1874349296 DTYYIUPTXCOGTF-CVKSISIWSA-N 448.523 4.897 30 10 IJEE CCSc1nnc(Cc2ccc(C)c(C)c2)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874357829 BFGIJZXQQDEWDI-FSJBWODESA-N 430.961 4.848 30 10 IJEE COc1ccc(/C=N/n2c(SCc3cc(C)ccc3C)nnc2C(F)(F)F)cc1O 1874461474 OYGSLVBZARQFDL-YSURURNPSA-N 436.459 4.802 30 10 IJEE COc1ccc(/C=N/n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2C(C)C)cc1 1874509226 RFKYGZPIESGTBG-ZMOGYAJESA-N 437.569 4.640 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2Cc2ccc(Cl)cc2)ccc1OC(C)C 1874564371 BKDOTXGZWXBNSR-YDZHTSKRSA-N 430.961 4.879 30 10 IJEE COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)c1 1875116105 LLUMYPMETJSFGG-WUXMJOGZSA-N 433.416 4.727 30 10 IJEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)ccc21 1890702501 DTHVKNYGFHDDBM-HNNXBMFYSA-N 428.916 4.684 30 10 IJEE Cn1ccc2cc(NC(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)ccc21 1890864697 FRESLZSETDQWHU-UHFFFAOYSA-N 431.521 4.622 30 10 IJEE CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2cc(F)ccc2C(F)(F)F)C1 1890933284 KQGDBSZHRLMMGQ-CYBMUJFWSA-N 449.370 4.999 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@](C)(O)c1cc(F)ccc1Br 1922073279 BZLKSVUMSHIEOK-FCHUYYIVSA-N 436.365 4.937 30 10 IJEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Br)ccc1Cl 1963794956 GORIMNIAYYYDEH-HNNXBMFYSA-N 431.758 4.578 30 10 IJEE Cc1cc(Br)c(F)c(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1 1964779047 OENJKXACVFUYHL-CQSZACIVSA-N 442.329 4.812 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cc(Br)ccc1Br 1982457484 JSASZDJJDGPBGS-GJZGRUSLSA-N 448.199 4.551 30 10 IJEE CC(C)(C)OC(=O)N(Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)c1)C1CC1 2059563044 LLBMRYAADNNUOL-UHFFFAOYSA-N 441.299 4.904 30 10 IJEE C=CC1(NCc2cccc3c2N(C(=O)OC(C)(C)C)CCC3)CN(C(=O)OC(C)(C)C)C1 2075318587 MMHLKLPVMDGOPA-UHFFFAOYSA-N 443.588 4.639 30 10 IJEE N#Cc1nn(-c2cc(C3CCCCC3)ccn2)c(C(F)(F)F)c1I 2078898492 KDKVIPNSMPCMBB-UHFFFAOYSA-N 446.214 4.810 30 10 IJEE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C#N)c2I)c(O)c1 2078995451 VXELIHDVIMEJRV-GOSISDBHSA-N 433.293 4.640 30 10 IJEE CN1C[C@@H]2CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)c3cccc(Br)c3)[C@H]2C1 2152859147 WXMXTSKLEJALEH-XERREHJYSA-N 434.378 4.815 30 10 IJEE CCCN(c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2172706688 ZQBREQWPYOLWQI-UHFFFAOYSA-N 449.448 4.570 30 10 IJEE CCN[C@H](CC#C[Si](C)(C)C)[C@H](O)c1cc(Br)c(Br)s1 2187470047 FRDWFJGRENJGQD-YPMHNXCESA-N 439.289 4.556 30 10 IJEE C#CC[C@@H](CN(C)C(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1)C1CC1 2196767361 XGBQMMBSQFQOQY-HNNXBMFYSA-N 435.362 4.918 30 10 IJEE C#CC[C@@H](C[C@@H](O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C)C1CC1 2237415056 LZHMWNGSDOCJEA-FFZOFVMBSA-N 436.390 4.685 30 10 IJEE Cc1ccc(I)c(C(=O)[C@@H](C#N)c2ccccc2Br)c1 2240904907 DFQCUHKVCWKGPH-ZDUSSCGKSA-N 440.078 4.852 30 10 IJEE CN(C(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2255609738 WAZOXFSICNKSMK-MHTWAQMVSA-N 427.394 4.701 30 10 IJEE CC1(C)OB(C2(C(=O)N3CC[C@@H]4[C@@H](CCCN4Cc4ccccc4)C3)CCC2)OC1(C)C 2267460824 NBRSTNJHUABAKC-FCHUYYIVSA-N 438.421 4.516 30 10 IJEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)[C@@H](N)CC#CC1CCCC1 2289847571 JNVRVPTWNFFYRC-PMACEKPBSA-N 435.406 4.796 30 10 IJEE CCCN[C@H](C#Cc1cccc(Br)c1)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2296266502 JCYIWKIMPLARLW-UXHICEINSA-N 435.406 4.862 30 10 IJEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H]([C@@H](N)C#Cc2ccc(Br)cc2)CC1 2296272377 KHLQOBYNCJFQRU-MDKPJZGXSA-N 439.369 4.551 30 10 IJEE COc1ccc([C@@H](N)C#Cc2cccc(Br)c2)c(NC(=O)OC(C)(C)C)c1 2296281338 KGVWGRQDTDUSFI-SFHVURJKSA-N 431.330 4.856 30 10 IJEE C[C@@H]1[C@@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2317335841 MWQUMYAGTROANL-AFRBYUIBSA-N 430.354 4.503 30 10 IJEE C[C@@H](Oc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN1C(=O)OC(C)(C)C 2317351396 HULWPMGTYOUDSY-SJLPKXTDSA-N 430.354 4.503 30 10 IJEE C[C@@H](c1ccccc1)c1nnc(S)n1N=Cc1ccc(OC(=O)c2ccccc2)cc1 2321962171 XCAPNBWRYVBFAK-KRWDZBQOSA-N 428.517 4.820 30 10 IJEE Cc1c2c(cc3c1OC(=Cc1cccc(F)c1)C3=O)CN(CCOc1ccccc1)CO2 2322339299 FKDNEDIZDMWWCR-UHFFFAOYSA-N 431.463 4.981 30 10 IJEE O=C1C(=Cc2cccc(Cl)c2)Oc2c1ccc(O)c2CN1CCN(c2ccccc2)CC1 2324161732 IMDAVWRQQIJSPO-UHFFFAOYSA-N 446.934 4.984 30 10 IJEE COc1ccc(C=C2Oc3cc(O[C@H](C)C(=O)Nc4ccccc4OC)ccc3C2=O)cc1 2324465097 ZMBMLVHLFDNFAZ-MRXNPFEDSA-N 445.471 4.726 30 10 IJEE CCc1nnc(NC(=O)[C@H](C)Oc2cc(C)c3c(c2)OC(=Cc2ccccc2C)C3=O)s1 2325447211 WNWHOZQONXVJRD-HNNXBMFYSA-N 449.532 4.740 30 10 IJEE COc1ccc(OC)c(CC(=O)Oc2cc(C=CC(=O)c3ccccc3)ccc2OC)c1 2325730903 NHVQWRBUUNSMOZ-UHFFFAOYSA-N 432.472 4.757 30 10 IJEE CCc1ccccc1NC(=O)COc1ccc2c(c1)OC(=Cc1ccccc1OC)C2=O 2325737157 GIWKJLOOSCNMSJ-UHFFFAOYSA-N 429.472 4.891 30 10 IJEE O=C(C=Cc1cc(Br)c(O)c(Br)c1)c1ccc2c(c1)OCO2 2325792631 HYEXFKSJRRDZJJ-UHFFFAOYSA-N 426.060 4.542 30 10 IJEE CCCCC1CCC(c2nnc(SCCCO)n2N=Cc2cccc(OC)c2O)CC1 2328194956 RFGFIDJSPQTLCM-UHFFFAOYSA-N 446.617 4.813 30 10 IJEE Cc1ccc(OCc2nnc(SCCO)n2N=Cc2ccc(C(C)(C)C)cc2)cc1C 2328809323 NROFZFCEIZDRAJ-UHFFFAOYSA-N 438.597 4.738 30 10 IJEE COc1cccc(C(=O)C=Cc2ccc(OC(=O)C(F)(F)F)c(Br)c2)c1 2330784154 IBLJDAOJSCQHOM-UHFFFAOYSA-N 429.188 4.822 30 10 IJEE O=C(O)c1ccc(C=Nn2c(SCc3ccc(Cl)cc3)nnc2[C@H]2CCCO2)cc1 2330986816 QPBQVIYSGYTQGF-GOSISDBHSA-N 442.928 4.656 30 10 IJEE CCCCc1nnc(SCc2ccccc2F)n1N=Cc1ccc2c(c1)OCCO2 2331337659 PTPUNJGFZFGDQI-UHFFFAOYSA-N 426.517 4.706 30 10 IJEE C[C@H](C(=O)Oc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-])c1ccccc1 2331442528 FARKAPGZNJAVBK-INIZCTEOSA-N 445.427 4.929 30 10 IJEE N#CCCN(Cc1ccc(I)c(Br)c1)Cc1ccco1 2377401883 VHHWOARENYYPQG-UHFFFAOYSA-N 445.098 4.563 30 10 IJEE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)/C1=N/Nc1cc(C)ccc1C 27902326 XRAXTJWWSPUXSM-LYBHJNIJSA-N 434.481 4.526 30 10 IJEE COc1cccc(/N=C2\S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2C)c1 100369488 DMJRNAJNWYZKDC-JJXNMMKVSA-N 438.336 4.592 30 10 IJEE O=C1/C(=C\Nc2ccc(F)cc2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 105337153 PMFBUXDDBJGRJY-WOJGMQOQSA-N 432.473 4.513 30 10 IJEE N#C[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(F)cc1F 111030004 AXBPFCKFOISFLN-SFHVURJKSA-N 436.443 4.788 30 10 IJEE COc1c(Br)cc(/C=N/NC(=S)Nc2ccccc2)cc1Br 169884542 BCFYSACKDKYDHH-GIJQJNRQSA-N 443.164 4.541 30 10 IJEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2ccc(C)cc2)cc1 169925467 PEMHANGPSGFAGT-QHCPKHFHSA-N 443.455 4.515 30 10 IJEE COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)CCO4)[C@H]2c2cccc(C)c2)cc1 169969028 OHZCDDMIRNMQBA-XMMPIXPASA-N 441.483 4.721 30 10 IJEE Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1C 170058225 QPQBREOVUSKEDI-CTNGQTDRSA-N 425.912 4.714 30 10 IJEE O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccc(O)c1 170083263 SPFWCABTHBMZRP-DEOSSOPVSA-N 431.463 4.629 30 10 IJEE COc1cc(OC)cc(N2C(=O)C(O)=C(C(=O)c3c[nH]c4ccccc34)[C@@H]2c2ccco2)c1 170090049 WRCZABIVNSJWGV-QFIPXVFZSA-N 444.443 4.561 30 10 IJEE CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)[C@@H]2c2cccnc2)c1 170183054 GYLQGSYCLNUEIR-JOCHJYFZSA-N 448.544 4.956 30 10 IJEE CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)c(OC)c2)[C@@H]1c1ccc(OCC)cc1 170213826 OVDYNUOGRYYXOC-FQEVSTJZSA-N 429.900 4.736 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(C)o2)c1 170307211 MIUDEMMRPAGCHI-QFIPXVFZSA-N 432.476 4.550 30 10 IJEE C=CCC[C@@H](NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 442275001 NXIFUNYTSCBIBI-NHCUHLMSSA-N 445.485 4.986 30 10 IJEE CN(C(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1CCN(c2ccccc2F)C1=O 488016406 UULFFWSFHPOCOR-OAQYLSRUSA-N 445.519 4.726 30 10 IJEE CC1(C#N)CCN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)CC1 507829432 LNHYQQYDINGMJH-UHFFFAOYSA-N 436.865 4.799 30 10 IJEE C=CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 508827801 NGOOPEBNTSVDFL-QGZVFWFLSA-N 427.549 4.602 30 10 IJEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 508921385 YLVGWSVWKDZDEX-QHCPKHFHSA-N 435.616 4.671 30 10 IJEE COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 575966099 QFJHMFMFMCLOKS-RUZDIDTESA-N 435.483 4.564 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 670234518 BHRCFHYPWMTBAR-VQTJNVASSA-N 438.551 4.788 30 10 IJEE CC#CCC[C@@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NCC 686827675 HVJPQIOQLZRIEO-QHCPKHFHSA-N 427.633 4.718 30 10 IJEE CC[C@@H]1CC[C@H](C#N)[C@@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1 700342181 BDPQMMPMTMCCPD-PVNHUGKBSA-N 432.520 4.944 30 10 IJEE C=C([C@H](NCCC)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)C(F)(F)F 707816977 BRBAWNREWQMXBM-NZSAHSFTSA-N 430.511 4.972 30 10 IJEE COc1cc(-c2cc(C(=O)N[C@](C)(C#N)CC(C)C)c3ccccc3n2)cc(OC)c1OC 726943453 ITFOQMLWFIVRJT-SANMLTNESA-N 447.535 4.986 30 10 IJEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)c1 733804138 YGMCHQWPGBZITK-DNVCBOLYSA-N 430.346 4.560 30 10 IJEE C#CCN(C(=O)c1cccc(F)c1OCC)[C@H]1CCOc2ccc(Br)cc21 744364717 AZAFBCNNOMXJCK-SFHVURJKSA-N 432.289 4.586 30 10 IJEE C#CC[C@@H](NC(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1)c1ccccc1 757057348 GLMOILQKKTWUJZ-LOSJGSFVSA-N 425.532 4.508 30 10 IJEE C[C@H](OC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 766999617 CRTXPPKDGCQLAL-RYUDHWBXSA-N 447.354 4.545 30 10 IJEE N#Cc1ccc(-c2cccc(CNC(=O)N3CCSC[C@@H]3c3nccs3)c2)s1 771326693 AFDXCYOEGIGMMU-QGZVFWFLSA-N 426.592 4.743 30 10 IJEE C=CC1(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCCCC1 1125834471 GXTZPBBGEAFRIS-UHFFFAOYSA-N 425.451 4.789 30 10 IJEE C#CCN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@H]1CCOc2ccc(Br)cc21 1126228970 LSPHUFBAPYWSCQ-VGSWGCGISA-N 438.365 4.930 30 10 IJEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2(CC)CCC2)c1 1126906269 QJILYMWCTJZPIP-UHFFFAOYSA-N 432.973 4.784 30 10 IJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 1131105545 KHOSFMHBPXDFHF-QKLQHJQFSA-N 439.021 4.625 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 1161336055 KMQBQBJMMOVBLO-INIZCTEOSA-N 449.732 4.659 30 10 IJEE C#CCOc1ccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 1199761441 MTCLFPALQLIAQD-UHFFFAOYSA-N 425.488 4.779 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C)c1ccc(Cl)cc1F 1230511671 YHPJKTQBBPPVDW-IGCHPXFFSA-N 449.954 4.632 30 10 IJEE C=CCc1ccc(OC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(OC)c1 1264051286 WIGDEMNHLYLJGT-UHFFFAOYSA-N 448.704 4.640 30 10 IJEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C2CC2)c1 1266340808 NTTDJXUIANDSQI-UHFFFAOYSA-N 432.973 4.640 30 10 IJEE Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)C)C2 1274181620 BMOIGZUTLGGGDW-INIZCTEOSA-N 435.597 4.769 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 1275389064 DIVPPNBABFMYFO-HXUWFJFHSA-N 441.325 4.917 30 10 IJEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286344261 ZALWBDXUINRCPE-SFTDATJTSA-N 435.597 4.576 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CC[C@H](F)C1 1286421291 CWGXNVUBSHFPQV-GOTSBHOMSA-N 443.570 4.954 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H](C)c1nccs1 1286422582 BHDRGJLBLFFEAJ-OAHLLOKOSA-N 444.391 4.975 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(OC(C)(C)C)nc1 1286440143 OFFQRZNDTKGVPO-UHFFFAOYSA-N 440.551 4.573 30 10 IJEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 1286599553 APYPCXILHOFQIE-AABGKKOBSA-N 449.640 4.514 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1286640173 GYSJTTTVOKQANK-LAUBAEHRSA-N 430.980 4.825 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCN2CCCC)CC1 1286647682 MDCJZOAVYJJIHA-HXUWFJFHSA-N 443.586 4.958 30 10 IJEE C=CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[C@@H](OC)C1)c1ccccc1 1286679095 KCAGWBFAVAOEOZ-CKUXNOBLSA-N 431.584 4.870 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nc(C(F)(F)F)cs1 1286730438 HPLUHQQCNNROFQ-UHFFFAOYSA-N 437.491 4.620 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC=CCC1 1286744496 KNRBDSKPUISANM-NRFANRHFSA-N 447.608 4.819 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CCC(=O)Nc1ccccc1 1286748512 XUUAEBNQNFYOER-UHFFFAOYSA-N 444.564 4.623 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1Cc1ccc(CSC)cc1 1286749052 ISSIDVHICNZFAE-UHFFFAOYSA-N 448.621 4.901 30 10 IJEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CC)Cc1ccccc1F 1286777479 BPYXOEHDRMSHIJ-IBGZPJMESA-N 429.540 4.702 30 10 IJEE CCCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cccs2)o1 1294041919 DTLXWFYLNIKENA-UHFFFAOYSA-N 446.580 4.854 30 10 IJEE CCCOc1ncccc1Cn1c(C2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1294982776 BBUMUBAVABIFEA-UHFFFAOYSA-N 430.556 4.676 30 10 IJEE C#CC[C@@H](CO)NC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CCC2 1298689577 JLFPMTROAPXUSZ-VZWFDDOASA-N 430.935 4.879 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1N(C)CCCC1(C)C 1300282321 HHCKXJYQNROINA-GCJKJVERSA-N 439.673 4.854 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(C)CCCS1 1300441257 ILOMBPIFIVUPLP-GOSISDBHSA-N 439.810 4.716 30 10 IJEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1300468884 OKPSDSLPAGDTOS-UYAOXDASSA-N 429.008 4.822 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1300876567 UATQWWMYYHLLQO-XZQWRAICSA-N 442.579 4.878 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1300889159 PCBDBPZJIALJSG-VRVBVOGLSA-N 447.048 4.834 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1c(C)noc1C 1300900213 NTXZYCQBZWUFHV-GOSISDBHSA-N 427.524 4.807 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@H]1COCCO1 1300900380 DMGDPOPPKMPTSS-HNNXBMFYSA-N 432.977 4.631 30 10 IJEE C=C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)C(C)(C)C)CC1 1301096747 CXVFZQIFVQZYMU-RBUKOAKNSA-N 447.624 4.568 30 10 IJEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301190713 XUUJJVWVTOEQBF-YJBOKZPZSA-N 426.458 4.520 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)NCCCCCC)C1 1301444550 MOOGLXMRUNUHRJ-QGZVFWFLSA-N 447.986 4.837 30 10 IJEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1301458670 WTFWGLFBYZAVSF-OAHLLOKOSA-N 429.540 4.736 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2cc3ccccc3o2)n1Cc1nc(C(F)(F)F)cs1 1301956261 HNDJCOZFKNMUSD-GFCCVEGCSA-N 446.458 4.811 30 10 IJEE Cc1cc(Cl)ccc1-n1cnc(=O)n1CCC(C#N)(c1ccccc1)c1ccccc1 1307353018 GXXXVWTVYXUCLW-UHFFFAOYSA-N 428.923 4.896 30 10 IJEE C=CCOc1cccc(NC(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 1310188507 PNQHQGSJZCPJPX-NRFANRHFSA-N 437.540 4.735 30 10 IJEE C#CCOc1cccc(NC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)c1 1310302396 ACBMCOPWNNZDIX-UHFFFAOYSA-N 435.705 4.541 30 10 IJEE C=CCN(C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1)[C@H](C)COC 1310731452 BGRHGVYIGPJTJX-CYBMUJFWSA-N 438.391 4.860 30 10 IJEE C=CCOc1ccc(Br)cc1NC(=O)N1CCC(CO)(c2ccccc2)CC1 1310862028 AREDHJBZIULXAG-UHFFFAOYSA-N 445.357 4.572 30 10 IJEE C#C[C@H](NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(Br)cc1 1312418126 XYTJIATXEUNPKO-PZJWPPBQSA-N 438.300 4.746 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1312614850 DNGOFLJNOGFNRB-QRQLOZEOSA-N 426.479 4.548 30 10 IJEE COCC1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(C)(C)C)CC1 1315833174 BGOPRTWFOJSZRR-UHFFFAOYSA-N 439.604 4.808 30 10 IJEE C=CCOc1ccc(CC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1 1354446506 UOLVMUKYPUWQEK-XMMPIXPASA-N 432.589 4.771 30 10 IJEE C=CCOc1ccc(/C=C/C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1OC 1354615043 GWILXMFZKVTMHL-WEVVVXLNSA-N 428.286 4.551 30 10 IJEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 1355492121 FZVNXZCGLBLHIC-UHFFFAOYSA-N 426.582 4.642 30 10 IJEE C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2ccccc2I)c1 1358370732 LJPOOTPIVBVTOQ-UHFFFAOYSA-N 441.268 4.641 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@](C)(OC)C1CC1 1359063817 FEQDMJVIDGUKSC-VANUSSGQSA-N 436.600 4.842 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H](OC)c1ccc(Cl)cc1 1359114253 DZXSXWFDGPKZDO-NRFANRHFSA-N 425.964 4.707 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1Cc1cc(Cl)ccc1OC 1359115410 XVXKSTWRMMVUQB-UHFFFAOYSA-N 431.993 4.747 30 10 IJEE C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(CCCC)CCOC 1359117956 GBFMMGLCNRJZBX-UHFFFAOYSA-N 425.346 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359191793 LYUGFFIWZFZADR-NHCUHLMSSA-N 425.621 4.687 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1359268554 UPIYYZGOPHMJHS-IBGZPJMESA-N 433.522 4.570 30 10 IJEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(Br)o1 1359338597 BBOMRWLWLPGOFO-UHFFFAOYSA-N 437.363 4.758 30 10 IJEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F 1359344127 MTEOXIWJEMHZHD-INIZCTEOSA-N 429.540 4.659 30 10 IJEE C[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)Oc1ccc(Cl)cc1 1360577499 BVHBVMCJEJNAPB-KSFYIVLOSA-N 431.943 4.574 30 10 IJEE C#CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@H]1CCOc2ccc(Br)cc21 1456446191 KBNCQFCTZGAPHN-FQEVSTJZSA-N 439.284 4.736 30 10 IJEE C=CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)C1CC1 1458349807 WGXZKVGOYUTDCS-UHFFFAOYSA-N 434.565 4.520 30 10 IJEE C=CCn1c(SC/C(C)=C/C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O 1458737164 VWMCRNGOECEGSA-RVDMUPIBSA-N 426.563 4.831 30 10 IJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1461528909 JQJXLGFONLSRIE-PIUNOOANSA-N 432.586 4.668 30 10 IJEE C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc12 1462974932 JNKALLOPKQTQIJ-UHFFFAOYSA-N 431.504 4.903 30 10 IJEE C=CCC1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CCCCC1 1468082877 WXHRIHCRRDHSBW-UHFFFAOYSA-N 442.581 4.895 30 10 IJEE C#C[C@H](NC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)c1ccc(Br)cc1 1468450317 FCNGAKOCUZAOAN-SFHVURJKSA-N 442.357 4.782 30 10 IJEE CCCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H](C)c1cc2ccccc2o1 1469762169 DXZLWPWROTXCGO-PGRDOPGGSA-N 444.535 4.983 30 10 IJEE C=CCCSCCNC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 1469868874 PYPUMTINSUQVMZ-IBGZPJMESA-N 434.403 4.736 30 10 IJEE C=CCOc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1 1470123875 SBPUANQPFPUBLN-UHFFFAOYSA-N 435.490 4.544 30 10 IJEE C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F 1470490227 AGJFYNWXASIZCC-LBPRGKRZSA-N 445.254 4.992 30 10 IJEE C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCC3)C(=O)OC 1472939019 ZILRKAAFEBETKP-SFHVURJKSA-N 440.590 4.763 30 10 IJEE N#Cc1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl 1473301079 GGJHVDBIIUSODP-XXBNENTESA-N 427.331 4.984 30 10 IJEE C#CCN(C(=O)N[C@@H]1CCc2ccc(C)cc21)[C@H]1CCOc2ccc(Br)cc21 1478913679 WYFDJYFFYXPPID-RTWAWAEBSA-N 439.353 4.913 30 10 IJEE Cc1ccc(SCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C(C)C)N2CCCC2)cc1 1492435870 BZGKQOHUXQHPEH-IRLDBZIGSA-N 440.661 4.738 30 10 IJEE CC[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1496057095 CVQXNPOAQDWMAC-ZCVJKFOLSA-N 439.604 4.662 30 10 IJEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1507559856 XDTRWWGYXHBGIN-QHCPKHFHSA-N 446.599 4.718 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CCOC(C)C 1507762890 ZYRCVKGNBGFFRX-RUZDIDTESA-N 434.540 4.534 30 10 IJEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)CCSC 1507785772 QQTWWSZXTAOMJP-CYBMUJFWSA-N 445.377 4.634 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1507793482 AOKSCEWEJKNNPV-HNAWSFBYSA-N 445.405 4.924 30 10 IJEE C=C(C)COCCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccoc1C 1507838392 BICFLPQMYDMMHM-UHFFFAOYSA-N 445.361 4.838 30 10 IJEE C=CCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1507913571 ZXHJBEBDXLGMCX-WOJBJXKFSA-N 430.980 4.585 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCC[C@@H](C)C1 1508002933 PVYOLKRXHJSQKR-FYYLOGMGSA-N 437.632 4.833 30 10 IJEE C=CCN(CC=C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCCN1CCCC1 1508015038 INGFLNFSIRPYMO-UHFFFAOYSA-N 425.646 4.940 30 10 IJEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H](SC)C(C)(C)C 1516518478 GKNGGALPZVKDPO-NRFANRHFSA-N 439.629 4.758 30 10 IJEE C=CC[C@@H]1N(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CCCC1(C)C 1519871042 QZGOJJIMESVCMG-SFHVURJKSA-N 442.419 4.596 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nnn(-c2ccc(C)cc2)c1C 1520237416 WWPBVAZHBKQUOV-UHFFFAOYSA-N 443.320 4.614 30 10 IJEE N#Cc1ccc(Cc2cnc(NC(=O)CCCc3ccc4c(c3)OCCCO4)s2)cc1 1524260891 GIBLIZAVJPGCTE-UHFFFAOYSA-N 433.533 4.728 30 10 IJEE N#Cc1ccccc1N1CCN(C(=O)[C@H](Oc2ccc(Cl)cc2)c2ccccc2)CC1 1529301429 FVHQGRGBIKAYSQ-XMMPIXPASA-N 431.923 4.681 30 10 IJEE C#CCCCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@]2(CCOC2)C1 1539079714 YZIGSDMMVHRZAE-AREMUKBSSA-N 436.600 4.709 30 10 IJEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 1539526805 PXCCJWOKYCESNM-QGZVFWFLSA-N 433.021 4.749 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1Cc1cc(Cl)c(OC)c(OC)c1 1539547202 VDGPCGAAANWJFG-HSZRJFAPSA-N 440.931 4.558 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCOC2)CC1 1539878062 QEQROEXMIHBOIR-OAHLLOKOSA-N 437.407 4.598 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[C@H]2CCOC2)CC1 1539882628 RFRSPOUILXBLQY-INIZCTEOSA-N 449.368 4.676 30 10 IJEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1539900062 GMPXBYHNNOFLGA-NQIIRXRSSA-N 439.604 4.611 30 10 IJEE C=CCC(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H]2C[C@H]1CO2 1539929155 OKMDCEWXMSBUHK-ROUUACIJSA-N 428.602 4.549 30 10 IJEE C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)c2ccc(Br)c(C)c2)cc1 1540068635 UVSIXDAYKIXFNK-UHFFFAOYSA-N 430.346 4.981 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCCC1 1540139756 LUZXROIXPDDIFP-UNMCSNQZSA-N 428.552 4.524 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1SC 1540186477 CLDRQHKJLDEJNZ-FQEVSTJZSA-N 438.597 4.689 30 10 IJEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1540911666 YEIOPBNFBSZECF-ZWKOTPCHSA-N 448.036 4.556 30 10 IJEE CC(C)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)C1CC1 1541510715 HAUZUWLMWDNGHL-SFTDATJTSA-N 434.632 4.952 30 10 IJEE C[C@@H]1CCc2sc(NC(=O)C[C@@H](C)S(=O)(=O)c3ccc(F)cc3)c(C#N)c2[C@@H]1C 1544832166 BFPRFXHHWSODET-MGPQQGTHSA-N 434.558 4.636 30 10 IJEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1cccs1)N(C)C 1546593612 BXEKDADMLULZTH-DUXKGJEZSA-N 434.613 4.806 30 10 IJEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1554162466 ASQPQVSQESWMNG-GOTSBHOMSA-N 444.583 4.689 30 10 IJEE C#CCN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1C 1556177736 QZMHYFORZPYCEH-UHFFFAOYSA-N 445.375 4.733 30 10 IJEE C=CCOc1c(Br)cc(CNC[C@H](O)c2cccc3ccccc23)cc1OC 1560528284 NPPTVYZRJKDUPS-NRFANRHFSA-N 442.353 4.999 30 10 IJEE N#Cc1ccccc1S(=O)(=O)NCC1(c2ccc(Br)cc2)CCCCC1 1561296186 GRMZYBINYJRVAX-UHFFFAOYSA-N 433.371 4.501 30 10 IJEE C=CCC1(CNC(=O)N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CCCC1 1564515377 FZDVONBAZKRNTE-LJQANCHMSA-N 448.405 4.689 30 10 IJEE C#C[C@@H](NC(=O)N1CC[C@H](OCCCc2ccccc2)C1)c1ccc(Br)cc1 1565000557 ZRSLIHIVLBWKPD-FCHUYYIVSA-N 441.369 4.557 30 10 IJEE C=CCOc1cccnc1C(=O)NCC[C@@H]1CCc2ccccc2N1C(=O)OC(C)(C)C 1583685895 FAFGADWYZFKLND-IBGZPJMESA-N 437.540 4.523 30 10 IJEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1585550514 WMSHNDUJUDMULJ-AOMKIAJQSA-N 437.337 4.985 30 10 IJEE CCCNc1ccc(C#N)cc1NC(=O)c1cn(-c2ccc(Br)cc2)nc1C 1586415766 BMMSPURPLXBMKH-UHFFFAOYSA-N 438.329 4.889 30 10 IJEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC1(OC)CCC1 1587672352 AZNROUNTKXYWMY-HNNXBMFYSA-N 437.371 4.581 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2ccc(Cl)s2)C1 1587723206 DCQCMJDKBYMRBF-QGZVFWFLSA-N 430.961 4.943 30 10 IJEE C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC=C(C(F)(F)F)CC1 1587807566 GMPIAMKVYUATSF-QGZVFWFLSA-N 448.489 4.929 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)N1CCC[C@H](C)C1 1589243260 YYQJAWJYMBCFHI-XAJLNHFYSA-N 449.643 4.586 30 10 IJEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)c1ccccc1 1589390596 OSEQJCVATOBPDT-GGAORHGYSA-N 430.552 4.629 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)C1CCCCC1 1589570371 UNFXPTZINFCXFQ-BGWNEDDSSA-N 440.636 4.526 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Br)s2)n1C[C@@](C)(O)[C@@H](C)CC 1589615012 ISUOFXJBPIYOFS-IFXJQAMLSA-N 441.439 4.969 30 10 IJEE C=C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nc(C)c(C)s2)CC1 1594014777 VTLXETZFYDJDNO-INIZCTEOSA-N 427.549 4.835 30 10 IJEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1594134838 XNVYRQQLOMJDDO-NHCUHLMSSA-N 441.595 4.521 30 10 IJEE C=CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CCCN2CC)CC1 1594193597 SBUWTFOPXQEXKE-WIYYLYMNSA-N 444.023 4.958 30 10 IJEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1594600094 IDBRXMLCPBPXGD-NRFANRHFSA-N 425.964 4.871 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1C 1595085022 OHAVPHRZXMBCSX-OFNKIYASSA-N 431.584 4.901 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)c(F)c1 1595156408 KXKNNWHNGOKYEP-KRWDZBQOSA-N 430.524 4.753 30 10 IJEE C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 1595377290 YXVFXPGRMZKZGI-VQIMIIECSA-N 445.995 4.914 30 10 IJEE C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 1595838457 SXGYLIBPZYCKMT-PZJWPPBQSA-N 439.629 4.835 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)cc1 1603615210 XLYCEHOENDEDIE-UHFFFAOYSA-N 435.277 4.641 30 10 IJEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2NCc2ccccc2)CC1 1618705289 HMWISIPNVCREJB-RUZDIDTESA-N 444.966 4.975 30 10 IJEE N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 1621596051 CBQCFWBSRMBEMC-LJQANCHMSA-N 435.936 4.803 30 10 IJEE C=CCn1cc2ccc(NC(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)cc2n1 1626675874 IEZFEIMANSATLP-JOCHJYFZSA-N 428.458 4.615 30 10 IJEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 1626744607 GMRMJYHXGSVQKE-QPPBQGQZSA-N 439.625 4.507 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 1627338772 YATMEUUMEDAQCS-BMFZPTHFSA-N 432.870 4.713 30 10 IJEE C=CC[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 1633060234 RQXSOQAEVVGWFI-QYZOEREBSA-N 440.506 4.898 30 10 IJEE C=CCC[C@@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 1635342712 HRMJJJBGUGWANQ-SFHVURJKSA-N 441.369 4.973 30 10 IJEE C=CCCC[C@H](NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)OC 1638400893 BHHDTSSXBGBTBD-ZDUSSCGKSA-N 429.332 4.604 30 10 IJEE C=CCn1c(SCc2c(F)ccc(Br)c2F)nc2sccc2c1=O 1651648511 UUQAGHZCECDODE-UHFFFAOYSA-N 429.311 4.977 30 10 IJEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CCc1cccc(Cl)c1 1662648708 GFENBZUOCUQUAC-CQSZACIVSA-N 430.879 4.645 30 10 IJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1666452791 LAIKARBCXHSWNT-YEBGWRAPSA-N 445.629 4.752 30 10 IJEE N#Cc1cc(Oc2ccc(NC(=O)N[C@@H](c3cccs3)C3(CO)CCC3)cc2)ccn1 1672525486 GKWYAXQTPBMAOJ-NRFANRHFSA-N 434.521 4.832 30 10 IJEE C=CCn1ncc2ccc(NC(=O)N3CCCCC[C@@H](NC(=O)OC(C)(C)C)C3)cc21 1673312410 XMTQXAHYCWGBDW-LJQANCHMSA-N 427.549 4.524 30 10 IJEE C#CCN(C(=O)NCCc1cccc(Cl)c1)[C@@H]1CCOc2ccc(Br)cc21 1676865151 ZQSJWALBPODBQG-LJQANCHMSA-N 447.760 4.814 30 10 IJEE C=CCC[C@H](NC(=O)NCc1cn(-c2ccccc2)nn1)c1ccc(C(F)(F)F)cc1 1679988529 CFJBMVOGTKZIEN-FQEVSTJZSA-N 429.446 4.793 30 10 IJEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1Cc1nc(C(C)C)cs1 1689865560 XIDQGLJXBXGSDM-KRWDZBQOSA-N 425.627 4.965 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@H](c1cccnc1)C(C)C 1690200368 VHWSMXPJBDWRFE-JYFHCDHNSA-N 429.568 4.781 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]1CC 1690236700 PUYSDYGSSIVQDM-NNWRFLSQSA-N 437.588 4.507 30 10 IJEE C=C(C)CN(CC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1cnn(C)c1C 1690256491 NNQWFKTZBCYBMR-QGZVFWFLSA-N 428.968 4.564 30 10 IJEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](SCC)C1 1690306793 FINLSHUJBYHEOO-OAQYLSRUSA-N 425.602 4.521 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2CCCOC2)CC1 1690404734 PHLDZCABRQWEBC-SFHVURJKSA-N 445.405 4.845 30 10 IJEE C=CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[C@@H]2CCCCO2)CC1 1690412421 PTHZMXXOPJROCF-IBGZPJMESA-N 430.543 4.899 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690424547 RXXWFQRQFSHOCB-OAQYLSRUSA-N 429.572 4.537 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](COC)C1)c1ccccc1 1690441915 IVQMOWQCYBCSGU-WIYYLYMNSA-N 437.975 4.826 30 10 IJEE C=CCCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690453868 LVKSRONLTQPMQP-VQTJNVASSA-N 433.604 4.610 30 10 IJEE C=CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690476929 UMKZVRISAVSYQJ-NHCUHLMSSA-N 440.588 4.570 30 10 IJEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(N2CCCCC2)nc1 1690528738 CYATUJGZZXPDJO-UHFFFAOYSA-N 436.991 4.578 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CCCC1 1690567517 GNIHBYGFAQUDRM-VWLOTQADSA-N 442.579 4.842 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccccc2Cl)n1CCc1ccn(C)n1 1690576328 WFNUGKWMPGDVQM-UHFFFAOYSA-N 438.988 4.829 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2F)n1CCCn1nc(C)cc1C 1690588099 IVNKMZQPMAWTQM-UHFFFAOYSA-N 428.943 4.820 30 10 IJEE C=CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)S[C@@H](C)C1 1690740431 VKYCZWVCRUHPIW-IRXDYDNUSA-N 427.643 4.686 30 10 IJEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1705510193 UXSKXFVPXRKILC-HSZRJFAPSA-N 431.584 4.608 30 10 IJEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[C@@H]1CCO[C@H](C)C1 1705589673 UTFAVFFCDPCGPF-YFNKSVMNSA-N 448.611 4.703 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCCC1(F)F 1705625328 GJLOFPZAUFLCCY-LJQANCHMSA-N 441.501 4.888 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCOC(C)(C)C 1705695333 IFHVLKGFLMHQRM-FGZHOGPDSA-N 426.605 4.740 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCCCC1 1705706868 ADOZFAAOBZQGTI-WSWWRLHASA-N 430.637 4.947 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2c(F)cccc2F)n1CCN(C)C1CCCCC1 1705716345 HTZUKKJWBUGROZ-UHFFFAOYSA-N 431.575 4.814 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1705778803 KPCFTBIGLDQCNV-VWLOTQADSA-N 442.604 4.552 30 10 IJEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 1705779652 RBTVNCQLBLBFME-UHFFFAOYSA-N 431.462 4.665 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CC2(CCOC)CCCC2)CC1 1705783307 BAWPTAHICRUJBI-UHFFFAOYSA-N 429.634 4.633 30 10 IJEE C=CC1CCN(c2nnc(CC3CC3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1705784299 OVRPJIGSBSNQSW-OAQYLSRUSA-N 443.636 4.813 30 10 IJEE C=CCC(C)(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC1(C)C 1705788857 PFRVTLPDOFDGAZ-UHFFFAOYSA-N 428.577 4.952 30 10 IJEE C=CC[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccccc1 1705795986 VYAYSCSNFRFWQE-REWPJTCUSA-N 445.615 4.577 30 10 IJEE C=CCN(c1nnc(-c2cc(F)ccc2Br)n1CCc1ccccn1)C1CC1 1705851582 LKFGOGDWGVAYNU-UHFFFAOYSA-N 442.336 4.639 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1(C2CC2)CC1 1705883199 ZHZGRSISKPALGB-UHFFFAOYSA-N 431.378 4.537 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2(CC)CCCC2)c1 1722307571 PMDRDSTVYGFDHU-UHFFFAOYSA-N 435.616 4.893 30 10 IJEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnc(C(C)C)nc1 1722317642 SAPVSMQHJDMLLI-UHFFFAOYSA-N 438.526 4.500 30 10 IJEE C=C(Br)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N(C)[C@H]1CCOC1 1722486551 ZKRPMAZWSUUFMT-SFHVURJKSA-N 449.393 4.504 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(C)C 1722492347 FFFVAQVRLRHOGH-PKOBYXMFSA-N 433.394 4.781 30 10 IJEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)c1cc2ccccc2o1 1722558413 NFZVWNJCDVSWAR-SYNHAJSKSA-N 430.936 4.698 30 10 IJEE C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCOC1 1722595215 MDWVTOHOPZLSQF-INIZCTEOSA-N 436.398 4.645 30 10 IJEE C=CCCCCn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1722602445 AWYJISGWWGUDDF-OXQOHEQNSA-N 447.505 4.949 30 10 IJEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722605395 GDYOLEJVTORKAQ-HXUWFJFHSA-N 442.551 4.816 30 10 IJEE C=CCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC=C(C)C1 1722735236 LMPQORGOJSAPTI-UHFFFAOYSA-N 437.382 4.922 30 10 IJEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H]2CC[C@H](C)C2)c1 1740564809 YFWDFAQUPYOFOO-UGKGYDQZSA-N 433.600 4.503 30 10 IJEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1740584456 LLODQQUAZNBGLN-OAQYLSRUSA-N 434.975 4.512 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCOCC1CC1 1740648767 QKIGHRCLCLSYIK-UHFFFAOYSA-N 431.367 4.532 30 10 IJEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1740795952 JDXDABCNHJTKCO-JOCHJYFZSA-N 438.597 4.873 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@](C)(OC)C2CC2)CC1 1740836236 MOWKBKHQFIOHGP-JOCHJYFZSA-N 445.405 4.925 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(C)(C)O)CC1 1740841782 AGZVXOUZIWLOQT-UHFFFAOYSA-N 439.387 4.727 30 10 IJEE C=CC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1740842304 UZAZMUQOGFPXAM-YADARESESA-N 428.552 4.746 30 10 IJEE C=CCC(C)(C)Cn1c(C)nnc1N1CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C1 1740844974 ZOTMGAALCRKNCN-QGZVFWFLSA-N 441.567 4.660 30 10 IJEE C=CCCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740866288 ZBUKOJKPPLOPHA-JOCHJYFZSA-N 434.588 4.905 30 10 IJEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](CC)Oc1cccc(F)c1 1740904896 BJEBPOCYTQNMJG-CEWLAPEOSA-N 430.568 4.816 30 10 IJEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)n1 1742718849 BIJLREWZOVAMBV-GOSISDBHSA-N 431.588 4.593 30 10 IJEE C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CCCC[C@@H](SC)C1 1748740797 YHXAIKAHKUJNCZ-GOSISDBHSA-N 433.419 4.843 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1cccs1 1748829376 AUSWJNDCPWEQRF-UHFFFAOYSA-N 425.561 4.535 30 10 IJEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1748917666 HYPREZATAJIESM-GAJHUEQPSA-N 431.987 4.708 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN(C)[C@@H]1c1cccs1 1748935983 ISMKWOVAACOOEP-DHLKQENFSA-N 447.652 4.667 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(CC)CC(C)C 1749135314 DMQYLDMUZLTRFJ-URXFXBBRSA-N 426.605 4.937 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC1(N2CCCC2)CCOCC1 1749147037 WTVBOSQPSOYDFF-UHFFFAOYSA-N 444.023 4.646 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749261457 SILWXNAAOXYKCF-MOPGFXCFSA-N 446.979 4.500 30 10 IJEE C=CCC(C)(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1c(C)noc1C 1749369247 ZWQRRSBNZPCHPD-OAQYLSRUSA-N 437.544 4.634 30 10 IJEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749401322 XSUPTSSXAXPWEJ-IBGZPJMESA-N 435.538 4.606 30 10 IJEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1749434514 VVURYGBVCUGSBW-UHFFFAOYSA-N 439.648 4.998 30 10 IJEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 1749596368 XDKABICOPCGLQQ-SFHVURJKSA-N 437.441 4.533 30 10 IJEE C=CCn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cccc(C)c2)CC1 1749613999 NILLFGBMDWYJAQ-UHFFFAOYSA-N 444.402 4.590 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC1CCN(Cc2cccs2)CC1 1760105554 FPPZIVVNHZNATI-HXUWFJFHSA-N 447.652 4.939 30 10 IJEE C#CCCCCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1760133953 VMKFQOQCMUVPKZ-MOPGFXCFSA-N 442.629 4.876 30 10 IJEE C#CCN(CC#CC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CC[C@@H](F)C1 1760224007 ULJPLJOLHJFBFU-RBBKRZOGSA-N 436.575 4.756 30 10 IJEE C=C(Br)Cn1c(CCCc2ccccc2)nnc1N1CC[C@]2(CCSC2)C1 1760311244 MLKYZBXXBMNJRT-NRFANRHFSA-N 447.446 4.695 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)CC1CCC1 1760319714 PNSHIDVHRHIPET-NZQKXSOJSA-N 440.588 4.570 30 10 IJEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H](C)c1nc(C)cs1 1760338413 JHXUOMRSXFXUEV-QGZVFWFLSA-N 425.602 4.849 30 10 IJEE C=C(Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1ccco1)c1ccccc1 1760360806 MYPSAZHUERWMFP-OAQYLSRUSA-N 433.556 4.844 30 10 IJEE C=CCC(C)(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760406489 FJMZBLRWUKZOCR-OAQYLSRUSA-N 435.616 4.529 30 10 IJEE C=CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCSC1)c1ccccc1 1760420263 LSVOSPIBCNLGCP-TZIWHRDSSA-N 439.654 4.935 30 10 IJEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(c2nc(C)no2)CC1)c1ccccc1 1760420286 MDNAVQSNSWHDKE-JOCHJYFZSA-N 434.588 4.912 30 10 IJEE C=CCCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760423311 VUWJJBUBVAXYDX-RTBURBONSA-N 445.405 4.927 30 10 IJEE C=CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1760434767 MDPYSBJUAWUWSB-JXFKEZNVSA-N 445.405 4.986 30 10 IJEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1csc(C)n1 1760451761 SDDBQZAOWZTJFC-OAQYLSRUSA-N 441.576 4.707 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCO[C@H](C)C1 1760491279 AABUTKAOSRBKKX-CVEARBPZSA-N 449.368 4.840 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCOC[C@H]1C 1760501152 IAAPUVDAYHPUDU-TZIWHRDSSA-N 438.547 4.509 30 10 IJEE C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760507989 YMGZDORHZQNRHM-UHFFFAOYSA-N 449.773 4.813 30 10 IJEE N#Cc1cccc(C(=O)Oc2ccc(C3=CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc2)c1 1860677182 LHGDBEIQHAAWOU-UHFFFAOYSA-N 444.437 4.985 30 10 IJEE Cc1ccc([C@@H]2C(C(=O)c3c(F)cc(F)cc3F)=C(O)C(=O)N2Cc2ccncc2)cc1 1862455879 DXOXHRITJJTCES-OAQYLSRUSA-N 438.405 4.586 30 10 IJEE C=CCN1C(=O)C(O)=C(C(=O)c2ccc(CC)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1862540838 XFWHEXHMLQYUKG-IBGZPJMESA-N 426.856 4.575 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2cccc(Cl)c2)[C@H]1c1ccc(F)cc1)c1cccc(O)c1 1862590476 JNEAEULXGSLGNH-NRFANRHFSA-N 437.854 4.963 30 10 IJEE O=C(C1=C(O)C(=O)N(CCC2=CCCCC2)[C@@H]1c1ccccc1[N+](=O)[O-])c1cccc(O)c1 1862593380 HHWGETRJLLGJPU-JOCHJYFZSA-N 448.475 4.769 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1cccc(Br)c1 1862600636 XDVKBCDYBWHJGK-IBGZPJMESA-N 444.325 4.923 30 10 IJEE Cc1ccccc1[C@H]1C(C(=O)c2cccc3ccccc23)=C(O)C(=O)N1CCCCCO 1862649508 ZUTSFBMZDGDYIG-DEOSSOPVSA-N 429.516 4.889 30 10 IJEE COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2[C@H]2CCCC[C@@H]2C)cc1O 1862677215 BFGXIZFUXCNHDU-VELBRHGASA-N 439.483 4.697 30 10 IJEE Cc1cc(C2=C(Nc3cc(F)ccc3F)C(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1863093410 OBVVPKIVYJYHMX-UHFFFAOYSA-N 433.389 4.681 30 10 IJEE CCCCCCCCCCN1C(=O)C(NCCOC)=C(c2ccc(OCCC)cc2)C1=O 1863683396 LTBUGJGPBFDHQS-UHFFFAOYSA-N 444.616 4.932 30 10 IJEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(CC)nn2CC)[C@H]1c1cccc2ccccc12 1865140894 ZUPUWILSFGTPJG-JOCHJYFZSA-N 442.563 4.514 30 10 IJEE CCCCCCCCCCNC(=O)[C@@H](CCCC)N=C1NS(=O)(=O)c2ccccc21 1869933924 RSCCYEQRYTWFFK-HXUWFJFHSA-N 435.634 4.541 30 10 IJEE CCCCCCCCC(=O)Nc1nc(N2CCN(CC)CC2)nn1-c1cccc(Cl)c1 1870041135 RGLFFFHWZFVTAQ-UHFFFAOYSA-N 447.027 4.752 30 10 IJEE N#Cc1nnn(-c2ccc(OC(F)(F)F)cc2)c1NC(=O)c1cc(Cl)ccc1Cl 1870154396 WXJFMFBLTTWJRC-UHFFFAOYSA-N 442.184 4.597 30 10 IJEE Cc1cccc(Cn2cc(OCc3ccc(C#N)cc3)c(=O)cc2CN2CCCCC2)c1 1870348050 GOCIJFWXBDAWHM-UHFFFAOYSA-N 427.548 4.642 30 10 IJEE C=CCOc1cn(Cc2ccncc2)c(CNc2ccc(N3CCC(C)CC3)cc2)cc1=O 1870809757 UMVKJBLSARHWIO-UHFFFAOYSA-N 444.579 4.705 30 10 IJEE COC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4C#N)ccc3c2=O)cc1 1871436810 QYEJVXOHKPACNI-UHFFFAOYSA-N 427.412 4.823 30 10 IJEE C=C(C)CN([C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(C)C)S(=O)(=O)CCCC 1871807178 NUOKFARKPSWIMB-GOSISDBHSA-N 434.524 4.677 30 10 IJEE C=CCN([C@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1)S(=O)(=O)c1cccs1 1872142033 GAGLPTQPZQMESV-QGZVFWFLSA-N 441.578 4.696 30 10 IJEE C=CCN([C@@H](C(=O)Nc1ccccc1CC)[C@H](C)CC)S(=O)(=O)c1ccc(C)cc1 1872492750 CYDPEXAPAJCFGW-AUSIDOKSSA-N 428.598 4.788 30 10 IJEE Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(C)c1 1872769355 PYRCKSSEDJLGMC-HXUWFJFHSA-N 443.528 4.921 30 10 IJEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CC)CCc1ccncc1)n2CCCC 1873553971 HEOFTFLGZTZFLP-UHFFFAOYSA-N 446.599 4.510 30 10 IJEE C=CCN(CC=C)C(=O)c1cc2c(N(C)Cc3ccccc3)ncnc2n1Cc1ccco1 1873564607 YCSXKVCHXFLXMX-UHFFFAOYSA-N 441.535 4.523 30 10 IJEE C=CCn1c(C(=O)Nc2cccc(C(C)(C)C)c2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873646310 FVMHLSIOZIHFPW-QZTJIDSGSA-N 447.583 4.781 30 10 IJEE COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2ccc(C#N)cc2)cc1 1873866556 BCHPUENAVQJQHD-RUZDIDTESA-N 440.503 4.552 30 10 IJEE Oc1ccc(/C=N/n2c(CCOc3ccccc3)nnc2SCc2cccc(F)c2)cc1 1874344174 AETIYKGOLREHLI-WGOQTCKBSA-N 448.523 4.919 30 10 IJEE CCCCCOc1ccc(/C=N/n2c(Cc3cccs3)nnc2SCCCO)cc1 1874414291 KTFJAXLCROLPDM-HAVVHWLPSA-N 444.626 4.856 30 10 IJEE Oc1ccc(/C=N/n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1O 1874417781 SKSOTDKXZWEODO-AFUMVMLFSA-N 434.496 4.594 30 10 IJEE CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1cccc(Cl)c1 1874510149 JAGBKKPSWYZLKA-FOKLQQMPSA-N 431.924 4.807 30 10 IJEE COc1ccc(C(=O)/C=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)cc1C 1874574446 NFAQCFJMDAMDQR-WYMLVPIESA-N 431.488 4.926 30 10 IJEE COc1ccc(OC)c(C(=O)/C=C/c2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2)c1 1874597110 VFMZPTLNSSSQDV-XUDAUXSOSA-N 445.515 4.856 30 10 IJEE CCN(CC)C(=O)COc1c(OC)cc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC 1874613149 FLQPTLYBHNFOIS-KPKJPENVSA-N 431.916 4.501 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3cncc(C)c3)c(OC)c2)cc1C 1875107249 HARNLRGRWXQLSM-SOFGYWHQSA-N 447.487 4.840 30 10 IJEE COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(=O)[C@H]3CCCO3)c(OC)c2)cc1C 1875107980 SFYWSRMSCPGNMM-CPSHHHPTSA-N 430.884 4.646 30 10 IJEE O=C(/C=C/c1ccc(OC(=O)C2CCC2)c(Br)c1)c1ccc2c(c1)OCO2 1875150889 JSDNRLFNQOJYAS-QPJJXVBHSA-N 429.266 4.779 30 10 IJEE O=C(Cc1cccs1)Oc1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 1875162279 FYUSRWAMNIVJLR-XVNBXDOJSA-N 429.400 4.979 30 10 IJEE CCCC(=O)Oc1ccc(/C=C/C(=O)c2cc(OCC)ccc2OCC)cc1[N+](=O)[O-] 1875172188 IXHNZSRYCMATDK-DHZHZOJOSA-N 427.453 4.994 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](C#N)N(Cc2ccccc2)C(=O)OC(C)(C)C)C1 1880109562 CGZBLRVRBVOFAZ-CYFREDJKSA-N 429.561 4.963 30 10 IJEE CN(CC1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1)c1ncccc1C#N 1890048756 DJMZEPZOJJYTHM-UHFFFAOYSA-N 436.865 4.614 30 10 IJEE COc1cccc(N(C(=O)OC(C)(C)C)C2(C#N)CC(C)(NC(=O)OC(C)(C)C)C2)c1 1947415815 SYHZUAPAXAVUFY-UHFFFAOYSA-N 431.533 4.776 30 10 IJEE CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1963329069 ZUHWZQFOACWJIK-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CCN[C@@H](CC#C[Si](C)(C)C)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1987472169 XDQNQDFRVAMFFQ-FCHUYYIVSA-N 432.681 4.736 30 10 IJEE C#CC[C@H](C[C@H](NCCC)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C1CC1 2020078783 OJGNJBUFZRELLZ-TZRRMPRUSA-N 428.617 4.904 30 10 IJEE CCCN[C@@H](CC#CC1CC1)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2029717714 PFSDFYFOFKQLCY-DEOSSOPVSA-N 439.644 4.718 30 10 IJEE N#Cc1ccc(C=CC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C2CC2)cc1 2040433551 GNQYNBYEDBADHS-UHFFFAOYSA-N 449.308 4.575 30 10 IJEE CC(=O)N(c1nc(C=CC(=O)c2ccc3c(c2)OCO3)cs1)c1ccc(F)cc1F 2040484195 WRSXWFWKOQVZRE-UHFFFAOYSA-N 428.416 4.731 30 10 IJEE N#Cc1cc(Br)ccc1N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 2044066011 JYOXWNTXRVXVSX-MAODMQOUSA-N 440.341 4.922 30 10 IJEE N#Cc1ccnc(CNc2c(Br)cc(Br)cc2Br)c1 2087358077 WUVQXTCOWNZEFU-UHFFFAOYSA-N 445.940 4.853 30 10 IJEE CC(C)(C)OC(=O)Nc1cccc(CCC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)c1 2124543655 UYSBQJNPGAIDEP-UHFFFAOYSA-N 444.381 4.517 30 10 IJEE C=CC[C@@](C)(CNC(=O)OC(C)(C)C)COc1cc(Br)nc(C(C)C)n1 2137398187 YIUQWQPFOCJRAJ-IBGZPJMESA-N 428.371 4.848 30 10 IJEE CN1C[C@@H]2[C@@H](CCC[C@@]2(C#N)N(C(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2152859144 WXMXTSKLEJALEH-KLHJMIIUSA-N 434.378 4.815 30 10 IJEE CN(c1ccc(C#N)c(Br)c1F)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2174765636 OGVPETPDDSQUFQ-FICVDOATSA-N 438.341 4.827 30 10 IJEE CC(C)(C)C[C@H](CC(=O)Nc1ccc(C#N)c(Br)c1)NC(=O)OC(C)(C)C 2181043764 CXOATJJTGFYTJV-HNNXBMFYSA-N 438.366 4.979 30 10 IJEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](COc2cc(Br)cnc2C#N)C1 2198820124 MZRQYJIVFUDJNQ-CQSZACIVSA-N 436.350 4.522 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@]12CCCO[C@@H]1CN(C(=O)OC(C)(C)C)C2 2221331920 YQIYYWPZHHCXPJ-UMFSSWHCSA-N 444.616 4.544 30 10 IJEE CCN[C@H](C#Cc1ccccc1Br)[C@@]12CC[C@H]1CCN2C(=O)OC(C)(C)C 2235732879 SSGRCAYSUWAMCG-LRXVAGHRSA-N 433.390 4.568 30 10 IJEE CN[C@H](C#Cc1ccccc1Br)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2235749945 PNLPYMGNPNAKPN-ZWKOTPCHSA-N 435.406 4.814 30 10 IJEE Cc1cc(NC(=O)OC(C)(C)C)ccc1Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255366369 GLNZCCNSTOUPEO-UHFFFAOYSA-N 425.338 4.780 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)CC1 2259674945 GJTUBDQNXZRTFD-JYFHCDHNSA-N 446.632 4.670 30 10 IJEE CC1(C)OB(c2csc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)OC1(C)C 2267135219 ZZEXTHFIRQWIEX-UHFFFAOYSA-N 447.409 4.932 30 10 IJEE Cc1ccc(C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OC(C)(C)C 2268639073 MDNJTMMRBCDPBO-SFHVURJKSA-N 442.365 4.792 30 10 IJEE Cc1cccc(OCc2ccc(Br)cc2C#N)c1I 2277947209 GMNUUAAKSQQOPM-UHFFFAOYSA-N 428.067 4.813 30 10 IJEE CC1(C)OB(c2c(F)cccc2C(=O)Nc2ccccc2OCc2ccccc2)OC1(C)C 2282411452 VBZDZVFZQBSSQG-UHFFFAOYSA-N 447.315 4.956 30 10 IJEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)[C@H](N)CC#CC1CCCC1 2289841786 JNVRVPTWNFFYRC-WOJBJXKFSA-N 435.406 4.796 30 10 IJEE CC1(C)CC[C@@](N)(C#Cc2cccc(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2296231605 GBONPJYIRRBVII-VGSWGCGISA-N 435.406 4.849 30 10 IJEE CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1[C@H](O)C#Cc1cccc(Br)c1 2296231720 HEQUJJHUOWUKHH-WOJBJXKFSA-N 428.326 4.528 30 10 IJEE CC(C)(C)OC(=O)N[C@](C)(c1ccccc1)[C@@H](N)C#Cc1cccc(Br)c1 2296279716 RSMRSKPUGTUDNI-SIKLNZKXSA-N 429.358 4.568 30 10 IJEE CCCN[C@H](C#Cc1ccc(Br)cc1)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 2296296830 RZLCZBBBKZESDH-IAGOWNOFSA-N 445.348 4.717 30 10 IJEE COc1ccc(C=C2Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)c(OC)c1 2296595234 BZSYPDXVCXQZAA-UHFFFAOYSA-N 431.488 4.658 30 10 IJEE c1ccc(CN=C2Sc3nc4cc5c(cc4cc3CN2C[C@@H]2CCCO2)OCO5)cc1 2297506753 YJLBDOISCUTFFU-IBGZPJMESA-N 433.533 4.606 30 10 IJEE CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 2297734875 GNEQMNMQESTYAC-HSZRJFAPSA-N 438.955 4.660 30 10 IJEE COc1ccc(OC)c(C(=O)C=Cc2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2314429212 AZRSPFTUZXMBDF-UHFFFAOYSA-N 433.416 4.727 30 10 IJEE COc1ccc(C(=O)C=Cc2cccc(OC(=O)c3ccc(OC)c(OC)c3)c2)c(OC)c1 2314429929 RTPQTUSEFVPZQT-UHFFFAOYSA-N 448.471 4.836 30 10 IJEE COc1ccc(C=C2SC(=NN=Cc3ccccc3)N(Cc3ccco3)C2=O)cc1OC 2314818959 PEPIZIWAXIWOSU-UHFFFAOYSA-N 447.516 4.803 30 10 IJEE CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=Nc1ccc(C(=O)O)cc1 2314927508 GPJYCYRTWDSHDL-UHFFFAOYSA-N 431.311 4.771 30 10 IJEE COC(=O)c1ccc(COc2ccc3c(c2C)OC(=Cc2cccc(OC)c2)C3=O)cc1 2321856485 INPSDFRPHGBDTR-UHFFFAOYSA-N 430.456 4.985 30 10 IJEE CCCOc1c(C=Nn2c(S)nnc2CCc2ccc(Cl)cc2)cccc1OC 2322114858 JCDMJAADUFCURZ-UHFFFAOYSA-N 430.961 4.685 30 10 IJEE Cc1ccc(-n2ncc(NN=Cc3cccc4ccccc34)c(Br)c2=O)cc1 2322634599 QSABAHQXCGPUBX-UHFFFAOYSA-N 433.309 4.903 30 10 IJEE COc1ccc(C(=O)Oc2ccc3c(c2C)OC(=Cc2ccc([N+](=O)[O-])cc2)C3=O)cc1 2322687668 OKWYWXSLNABLDN-UHFFFAOYSA-N 431.400 4.747 30 10 IJEE Cc1cccc(C=C2Oc3cc(OC(=O)c4ccc(N(C)C)c([N+](=O)[O-])c4)ccc3C2=O)c1 2322974970 DQGUIGSNXRWBLJ-UHFFFAOYSA-N 444.443 4.805 30 10 IJEE CCOc1c(OC)cc(C=NNc2nc(-c3ccccc3OC)cs2)cc1[N+](=O)[O-] 2323866180 ZLIOQCLCXPJXRF-UHFFFAOYSA-N 428.470 4.580 30 10 IJEE COc1cc(C=CC(=O)c2ccc(OC)c(C)c2C)ccc1OCC(=O)NCc1ccco1 2324319840 LUFVQFDBLOQBJN-UHFFFAOYSA-N 449.503 4.505 30 10 IJEE Cc1ccc(C=C2Oc3c(ccc(OCC(=O)Nc4ccc(F)c(F)c4)c3C)C2=O)o1 2325528853 WHPXPRXIRTWEDX-UHFFFAOYSA-N 425.387 4.808 30 10 IJEE Cc1c(OCC(=O)Nc2nccs2)ccc2c1OC(=Cc1cccc(Cl)c1)C2=O 2325589604 REAAIEAVBXTFOD-UHFFFAOYSA-N 426.881 4.739 30 10 IJEE COc1cc(OC)cc(C(=O)Oc2cccc(C=CC(=O)c3ccc4c(c3)OCO4)c2)c1 2325747369 HIBVSGJBBFWBAL-UHFFFAOYSA-N 432.428 4.548 30 10 IJEE CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N=Cc2ccccn2)cc1 2330547939 VENYLEAYWWSUDK-UHFFFAOYSA-N 448.577 4.577 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC(=O)CCOc3ccccc3)cc2)cc1OC 2330707480 FZBOCXSGCUEDCN-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE CCOc1ccc(C(=O)C=Cc2cc(OCC)c(OC(=O)C3CC3)c([N+](=O)[O-])c2)cc1 2331205068 ZUEIJDNUAYCUEF-UHFFFAOYSA-N 425.437 4.604 30 10 IJEE C=CCc1cc(C=CC(=O)c2ccc(C)cc2C)cc(OC)c1OC(=O)COCCOC 2331232589 XZNGPADTCNWYDD-UHFFFAOYSA-N 438.520 4.505 30 10 IJEE CCOc1cc(C=CC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1OC(=O)c1cccnc1 2331279070 FCHGYDDGPQVXIB-UHFFFAOYSA-N 432.432 4.812 30 10 IJEE Cn1cc(C=Nn2c(SCC(=O)Nc3ccccc3)nnc2C(C)(C)C)c2ccccc21 2331362686 FJQSJKHNNQVWBQ-UHFFFAOYSA-N 446.580 4.680 30 10 IJEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Oc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)C1 2339573972 AQKAVCDKTUBYCK-XZQKKESVSA-N 444.381 4.941 30 10 IJEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 2343976704 XQFXMNJWXUZCAY-CYBMUJFWSA-N 437.256 4.876 30 10 IJEE Cc1csc(/N=C2/S/C(=C3\C(=O)Nc4ccc(F)cc43)C(=O)N2C2CCCCC2)n1 39865628 MVEPADYQYWLBEA-BWHWHINRSA-N 442.541 4.850 30 10 IJEE C=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 66062529 VNXUQEOWYMJHCA-IBGZPJMESA-N 429.520 4.793 30 10 IJEE C=C(C)CN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccccc3F)n2)SC1=S 98002433 KTQIYRHFBFFVIE-PXNMLYILSA-N 433.555 4.744 30 10 IJEE CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1cc([N+](=O)[O-])ccc1C 100149433 IJYBTWBAMKPFDJ-LYBHJNIJSA-N 434.481 4.526 30 10 IJEE O=C1C(=C2/C(=C\c3coc4ccccc4c3=O)C(=O)c3ccccc32)C(=O)c2ccccc21 100435964 AJIZZBPALADQOG-FYJGNVAPSA-N 430.415 4.906 30 10 IJEE N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C/c2ccc(Br)s2)cc1 108739876 IICNFZZJWXYYRM-SOFGYWHQSA-N 429.261 4.987 30 10 IJEE CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@H](C#N)c2ccc(F)cc2F)cs1 111029354 OJCXMYSIYPKPFT-CSNYQSHPSA-N 438.459 4.500 30 10 IJEE COc1ccccc1CN1C(=O)C(O)=C(C(=O)CCc2ccccc2)[C@H]1c1ccccc1 170048579 RYHKQYKTRTUNEJ-RUZDIDTESA-N 427.500 4.793 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2sccc2C)cc1 170108114 FHERKGASCBELJY-HXUWFJFHSA-N 437.492 4.983 30 10 IJEE CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccs2)cc1 170162874 WDHFXLQYOKDQOP-NRFANRHFSA-N 434.517 4.710 30 10 IJEE COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)cc3C)[C@H]2c2ccccn2)cc1C 170175640 YRIZUEVZTDAMAG-QHCPKHFHSA-N 428.488 4.798 30 10 IJEE O=C(C1=C(O)C(=O)N(Cc2ccccn2)[C@H]1c1ccccc1)c1ccc(Br)cc1 170230705 KJHBTAXAOHRBHJ-FQEVSTJZSA-N 449.304 4.623 30 10 IJEE CCc1ccc([C@H]2C(C(=O)c3cc(OC)ccc3Cl)=C(O)C(=O)N2CCCOC)cc1 170266943 MXTNYECUDLXWJL-NRFANRHFSA-N 443.927 4.526 30 10 IJEE CCCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(CC)cc1 170268170 FEHMTFYWAMQMGU-QHCPKHFHSA-N 435.520 4.789 30 10 IJEE CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2ccco2)c1 170281237 GSIJQFNRVGWYBG-JOCHJYFZSA-N 447.443 4.580 30 10 IJEE Cc1cc(C(=O)C2=C(O)C(=O)N(c3ccccc3O)[C@H]2c2ccco2)ccc1OC(C)C 170283748 XTLUQRWFPMVNDH-QFIPXVFZSA-N 433.460 4.864 30 10 IJEE CCOc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1 170464569 VYQQRUPBYNTUKV-HSZRJFAPSA-N 439.508 4.705 30 10 IJEE C=CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 409868480 FAWJKOJKRZMCHS-UONOGXRCSA-N 425.337 4.949 30 10 IJEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 460779266 CDYSYNWCRMQLCD-XXBNENTESA-N 430.508 4.601 30 10 IJEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)c2cccnc12 482095479 MZXMNRRMHHWKQY-UHFFFAOYSA-N 428.395 4.965 30 10 IJEE CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCN(c2ccccc2F)C1=O 488016232 UDFDXKXVVZUJID-INIZCTEOSA-N 448.338 4.741 30 10 IJEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 502522474 CWYXIXXFOOJQMD-FNZWTVRRSA-N 431.536 4.678 30 10 IJEE C=CCCc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 505000781 JZRKWJUELAHPGX-UHFFFAOYSA-N 431.540 4.513 30 10 IJEE O=C(c1cccnc1OCC(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 512381614 TXVSHYRHJHKPQM-QGZVFWFLSA-N 436.327 4.752 30 10 IJEE N#Cc1ccc(CSc2nnc(CCc3ccccc3)n2/N=C\c2cccc(O)c2)cc1 526821886 ADUALOFOZKZJEO-PKAZHMFMSA-N 439.544 4.815 30 10 IJEE CN(Cc1ccc(C#N)cc1)c1nnc(COc2ccccc2F)n1Cc1ccccc1 549148654 INPCRAMAAHMFBA-UHFFFAOYSA-N 427.483 4.553 30 10 IJEE C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 554929577 CFULEJGBEXMWCT-KKSFZXQISA-N 440.931 4.541 30 10 IJEE N#Cc1ccc(-c2nnc(N3CCC(OC4CCCC4)CC3)n2Cc2ccccc2)cc1 558927501 SRVFHROBGKXUAX-UHFFFAOYSA-N 427.552 4.793 30 10 IJEE C[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12)c1ccc(C#N)cc1 574298312 VUYOJULQWQUTSD-BCHFMIIMSA-N 433.511 4.794 30 10 IJEE O=C(NC1CCC(OS(=O)(=O)c2cccs2)CC1)c1cc(Cl)cc(Cl)c1 586510001 MATBCLKBKMZWQW-UHFFFAOYSA-N 434.366 4.501 30 10 IJEE C=CCOc1ccc(CNC2(c3ccc(Br)cc3)CCOCC2)cc1OC 608059852 MMTAVSVUILDKTR-UHFFFAOYSA-N 432.358 4.818 30 10 IJEE C=CCn1c(SCC(=O)N2CCc3cc(F)c(F)cc32)nnc1-c1ccc(Cl)cc1 611848226 HDVNIHCWWNSNSU-UHFFFAOYSA-N 446.910 4.744 30 10 IJEE COc1ccc(-c2cnc(CCC(=O)OCc3cc(Cl)ccc3OCC#N)o2)cc1 735347300 UTLVKZTTXGYFFL-UHFFFAOYSA-N 426.856 4.582 30 10 IJEE COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 740506612 CNPZPUNNHMXIRJ-UHFFFAOYSA-N 447.560 4.848 30 10 IJEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 744029190 PYEYWINAKJZTRX-LIRRHRJNSA-N 443.341 4.689 30 10 IJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 789455265 CZJFVZGAUGVPOS-FXAWDEMLSA-N 431.577 4.684 30 10 IJEE C=CCn1c(-c2cnccn2)nn(CN2CCC([C@@H](F)c3ccccc3F)CC2)c1=S 795657788 NICOFCAESINEIB-HXUWFJFHSA-N 442.539 4.576 30 10 IJEE CC[C@@H](C)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccccc3O)n2)cc1 1084475014 HHXPZJCFCBYWFA-OAHLLOKOSA-N 438.557 4.591 30 10 IJEE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nc3cc(C#N)ccc3n2CC)s1 1127662548 DXQBFRADVGXACC-UHFFFAOYSA-N 431.974 4.719 30 10 IJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nccc2c(Br)cccc12 1128907114 FBAQLJPKHXPFNA-UHFFFAOYSA-N 427.346 4.993 30 10 IJEE C=CCOc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c1 1142192929 AXCYJSGTTXGIJD-UHFFFAOYSA-N 436.533 4.921 30 10 IJEE C#CCN(C(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)C1CCCCC1 1142870561 OQARHJMMQOMAEY-UHFFFAOYSA-N 445.629 4.741 30 10 IJEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 1171835376 HGCBBOBWYBNZNL-UHFFFAOYSA-N 449.913 4.892 30 10 IJEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 1194067131 XDTUCHZGXIGARL-OAQYLSRUSA-N 443.469 4.952 30 10 IJEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](c3ccccc3)C2)n(-c2cccc(F)c2)c1C 1194533488 BTOIEJVUEPNBAT-OAQYLSRUSA-N 430.527 4.923 30 10 IJEE C#C[C@@H](NC(=O)N[C@H](c1ccc(OC)cc1)C1CCC1)c1ccc(Br)cc1 1252458292 JKGHTZHHMRZQMY-RTWAWAEBSA-N 427.342 4.973 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cnccc1C(F)(F)F 1253362073 GIVSDUVIVBPKJO-UHFFFAOYSA-N 446.242 4.900 30 10 IJEE Cc1nc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)sc1Cc1ccc(F)cc1 1264691628 BEHHAJNMGYDWTB-UHFFFAOYSA-N 431.496 4.800 30 10 IJEE C=CCC[C@@H](NC(=O)c1nn(C)c(C)c1Br)c1ccc(C(F)(F)F)cc1 1266463252 UCRHKLPOAOMGTJ-CQSZACIVSA-N 430.268 4.947 30 10 IJEE N#Cc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1Cl 1270281623 AQSRFACCWXUCOE-UHFFFAOYSA-N 432.842 4.998 30 10 IJEE C#CCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H](CC)O[C@H](C)C1 1286357297 SNFZJJQIOLUPAJ-WBVHZDCISA-N 437.371 4.581 30 10 IJEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1CC12CCC(CC1)C2 1286379562 XANVEGQOXLZYIY-UHFFFAOYSA-N 426.992 4.901 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H](OC)[C@@H](C)CC 1286420772 JQHYGAQMCNBTGG-PZJWPPBQSA-N 438.641 4.800 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCO[C@H]1C(=C)C 1286455856 ZYPMAGMKCGYKFR-OFNKIYASSA-N 434.515 4.607 30 10 IJEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(C)C)C1 1286496134 OABKEDUCOPVSNJ-MOPGFXCFSA-N 430.593 4.796 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC1CCC1 1286553810 VTRPIULEJVTWTQ-AZUAARDMSA-N 445.405 4.925 30 10 IJEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CCCS1 1286561059 BAFAGVFQQJUEIF-HSZRJFAPSA-N 427.618 4.835 30 10 IJEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCSC(CC)(CC)C1 1286609656 PSFAREULLJTXDE-UHFFFAOYSA-N 432.609 4.713 30 10 IJEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(OCC)c(OC)c1 1286622370 VRYIZRWVMKLBRT-UHFFFAOYSA-N 448.354 4.790 30 10 IJEE C=C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNc2ccccn2)CC1 1286637948 QAGGYSJINIQEDD-LJQANCHMSA-N 436.535 4.611 30 10 IJEE C=CCCCCn1c(-c2cc(Br)cn2C)nnc1N1Cc2ccccc2C1 1286685153 NVUCIBUVORWPAK-UHFFFAOYSA-N 426.362 4.923 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CC[C@H](C)N1CCCCC1 1286746085 OGSBZKVSKKIHBF-UPVQGACJSA-N 437.632 4.629 30 10 IJEE CC[C@H](C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1nccc(C(F)F)n1 1291480655 GPPILSYIKSINFE-INIZCTEOSA-N 449.509 4.733 30 10 IJEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCc1ccc(Cl)s1 1300513415 WETJGKAYYUBJMD-UHFFFAOYSA-N 445.979 4.832 30 10 IJEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(CCC)CCC1 1300575131 RRVSNNQLSFEMME-UHFFFAOYSA-N 426.568 4.564 30 10 IJEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1300874471 MRTRNKAHFQSEGV-UFYCRDLUSA-N 429.634 4.840 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCCC1 1300894487 COITYLHHTLRFNV-YUMYIRISSA-N 430.637 4.804 30 10 IJEE C=CC1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CCCCC2)CC1 1301119417 HZWZYMOQUMPECY-UHFFFAOYSA-N 445.405 4.805 30 10 IJEE C=CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC2(CCCCC2)C1 1301178034 DVTSOLPVKOVBRB-UHFFFAOYSA-N 440.588 4.858 30 10 IJEE C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](C)c1nccs1)C1CC1 1301331862 XBKPHTPQLSRGHL-OAHLLOKOSA-N 429.977 4.926 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCC1=CCCCC1 1301339004 BWTRQPIOEDHMDR-UHFFFAOYSA-N 425.540 4.690 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC)cc1 1301357583 PUNNJYBLKBXOCO-UHFFFAOYSA-N 437.613 4.628 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2cccn2C)n1Cc1ccc(OC)cc1OC 1301359587 MBDQCINBIAGLJN-UHFFFAOYSA-N 449.580 4.603 30 10 IJEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@H](C)C(C)(C)C2)cc1 1301527638 ZMRAKQXTZIRFQZ-HXUWFJFHSA-N 431.584 4.749 30 10 IJEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(C(F)(F)F)CC1 1301604115 MPFNCKWEADJRDO-UHFFFAOYSA-N 426.508 4.652 30 10 IJEE COCCN(CCC#N)c1nnc(-c2sc3ccccc3c2Cl)n1CC(C)(C)OC 1301799253 AYNHHQMFNBOFKE-UHFFFAOYSA-N 447.992 4.605 30 10 IJEE C#C[C@@H](NC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1)c1ccc(F)cc1 1310500670 VCPOLMYSWDMIFZ-LJQANCHMSA-N 441.304 4.887 30 10 IJEE C=C(C)c1cccc(NC(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)c1 1311299285 QNAKZKSHNXXMLM-UHFFFAOYSA-N 446.551 4.796 30 10 IJEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCc2cc(Br)cc(C)c2C1)C(C)C 1311387797 IWSFVZNBLOBBQD-NRFANRHFSA-N 434.422 4.524 30 10 IJEE C#C[C@H](NC(=O)NCc1cccc(Br)c1C)c1ccc(Br)cc1 1312927293 UBSCVTILJAWWRW-KRWDZBQOSA-N 436.147 4.694 30 10 IJEE C=CCCC[C@@H](NC(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1)c1ccccc1 1313219938 QUZQHIDVBJVZNV-BHIFYINESA-N 427.589 4.982 30 10 IJEE C=CC(C)(C)CCCNC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 1313240026 RSIDXYQYKLRBGS-JOCHJYFZSA-N 440.588 4.573 30 10 IJEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)C1 1320184175 BVCSUVQCHRFIAY-SFHVURJKSA-N 431.330 4.837 30 10 IJEE C=CCCn1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)sc2C(=O)OCC)nn1 1351092200 QPNSDWRVZRABSX-UHFFFAOYSA-N 430.917 4.665 30 10 IJEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc(OCC(C)C)c(Cl)c2)cc1 1356330084 NSFSVSJQMVBNCZ-UHFFFAOYSA-N 427.932 4.836 30 10 IJEE C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cn3c(Br)cnc3s2)c1 1358274414 OLEGYFAQPQQJMK-UHFFFAOYSA-N 436.334 4.987 30 10 IJEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1358923353 KYFKPHDFFMDNLI-APWZRJJASA-N 434.506 4.812 30 10 IJEE C#CCN(C)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CCCC1(C)C 1358939650 AUDVXSVANOGBGZ-QFIPXVFZSA-N 428.989 4.824 30 10 IJEE C#CCN(CC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[C@@H]1CCCCO1 1359003532 OJOPJUKNMBSLIF-QUCCMNQESA-N 426.630 4.940 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(CC)cc2)n1Cc1cc(COC(C)(C)C)on1 1359066914 UUYKACVDCMIKBF-AREMUKBSSA-N 447.583 4.851 30 10 IJEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1359103683 RFTKKOYRGRWPGA-GBXCKJPGSA-N 442.579 4.776 30 10 IJEE C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359117685 OQXWZEYOHFIRFT-KEYYUXOJSA-N 444.885 4.804 30 10 IJEE C=CC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1359181469 TWMHNOMCLGGYSE-HSZRJFAPSA-N 437.632 4.608 30 10 IJEE C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1359212873 AKRYZZNYUIQQDG-HXUWFJFHSA-N 448.615 4.536 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1Cc1ccncc1Cl 1359276205 VNSXCWYDXDFKEA-UHFFFAOYSA-N 444.970 4.596 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccccc2)n1C[C@H](C)N1CCC[C@H](C)C1 1359276938 WWRAHOUTGYSGEQ-VXKWHMMOSA-N 433.600 4.894 30 10 IJEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1359310122 NCMJRCUTVCSSAH-FCHUYYIVSA-N 438.616 4.733 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)CCCS2)C1 1359314351 ZIKMTZYYUOQTGP-LLBVYWAGSA-N 446.592 4.624 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C(C)(C)C)no2)C1 1359316728 VEJNOZFEBSKBLF-GOSISDBHSA-N 441.963 4.714 30 10 IJEE C=CC[C@]1(C(=O)N[C@H]2CCc3c(Br)cccc32)CCCN1C(=O)OC(C)(C)C 1359859802 GTQNBVYBPHOGNE-PGRDOPGGSA-N 449.389 4.898 30 10 IJEE C=CC[C@@]1(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)CCCN1C(=O)OC(C)(C)C 1359871224 JNLYWFJAEBYFER-VWLOTQADSA-N 447.539 4.909 30 10 IJEE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCOCC(F)(F)C(F)(F)F 1360643825 CCUSHERNZBFEMR-UHFFFAOYSA-N 448.201 4.707 30 10 IJEE N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 1435228266 AUMJNWMLFGFCBY-HXUWFJFHSA-N 431.879 4.539 30 10 IJEE C=CCOc1ccc(CC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1 1442185714 KEINWSISOUPBFV-UHFFFAOYSA-N 425.326 4.623 30 10 IJEE C=CCN(C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1458996426 IFUAHMQTDRVHBE-AQNXPRMDSA-N 425.491 4.934 30 10 IJEE CCOC(=O)c1c(NC(=O)CN(C[C@H](C)C#N)C2CC2)sc(Cl)c1-c1ccccc1 1459874981 CQYCJHLZGYCFTO-CQSZACIVSA-N 445.972 4.808 30 10 IJEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(-c2cc(F)ccc2C)s1 1467681143 FKLGQBGEDOSTGK-MRXNPFEDSA-N 434.537 4.841 30 10 IJEE C=C(C)[C@@H](NC(=O)NCc1nc(C(F)(F)F)n2c1CCCC2)c1ccc(F)c(F)c1 1469857290 RBMWUROSMPTQSJ-QGZVFWFLSA-N 428.405 4.633 30 10 IJEE C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1470993168 ZZWVIWPVRYQFQA-FQEVSTJZSA-N 431.577 4.742 30 10 IJEE C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCC3)C(=O)OC 1472939017 ZILRKAAFEBETKP-GOSISDBHSA-N 440.590 4.763 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(F)c(F)cc2F)c1 1474779814 CWMCIWFYJRHZIE-UHFFFAOYSA-N 448.418 4.667 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2c(F)cc(C)cc2F)c1 1474780671 WEKPANXYERRCKJ-UHFFFAOYSA-N 444.455 4.837 30 10 IJEE C=C[C@H](COC)NC(=O)N[C@H](CC)c1ccccc1OCc1ccccc1Br 1477909309 SOSWRJZHPUMKGA-YLJYHZDGSA-N 447.373 4.979 30 10 IJEE C#CCCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C[C@@H]1CCCCO1 1507557946 PDISTJQXUAXRFV-QUCCMNQESA-N 426.630 4.940 30 10 IJEE C#CCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCCC[C@@H](COC)C1 1507576014 JBSCVNKZIOZHNR-LJQANCHMSA-N 426.630 4.942 30 10 IJEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCc1c(F)cccc1F 1507606865 ZYPGMTYHSSHIIC-HNNXBMFYSA-N 426.536 4.722 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1507814101 JSCDEGVGOYGIEH-SZPZYZBQSA-N 434.632 4.977 30 10 IJEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1Cc1cccs1 1507870214 GCPINMDOIRCHSF-SFHVURJKSA-N 439.972 4.754 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCOCC2CC2)CC1 1507879862 XNSYTEFKWGNTOY-UHFFFAOYSA-N 449.368 4.820 30 10 IJEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 1507956499 ALOKYRTXHLOKDT-HMNCIZAVSA-N 440.588 4.564 30 10 IJEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1Cc2ccccc2[C@@H]1C)C(C)C 1508012576 GYTPFRNJQVNBGI-ODGPQVTHSA-N 435.616 4.562 30 10 IJEE CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1514089766 DUWQMRVJJYSNNR-OYRHEFFESA-N 434.632 4.811 30 10 IJEE CC[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1ccccc1OC(F)F 1526432323 HQGBCADNZKEPED-OAHLLOKOSA-N 439.256 4.568 30 10 IJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1530533468 BKJFDJIRHIVENM-AUSIDOKSSA-N 444.984 4.965 30 10 IJEE C=CCC[C@H](C(=O)Nc1nc2ccc(I)cc2[nH]1)c1ccccc1 1533729892 CWCQRSBDEOGTFG-HNNXBMFYSA-N 431.277 4.856 30 10 IJEE C=CCCC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1533810932 KTPHLWRLXIWEQS-UHFFFAOYSA-N 432.973 4.566 30 10 IJEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)Oc1ccccc1C 1539158416 AEDFIZSWQXWUMB-OAHLLOKOSA-N 445.386 4.614 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCc1cccc(C)n1 1539250478 OJVPGEZRXNMSFD-UHFFFAOYSA-N 438.362 4.661 30 10 IJEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[C@H]1CC 1539250620 PVITVFRZDWGTIZ-IAGOWNOFSA-N 443.364 4.746 30 10 IJEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(CC(C)C)c2C)CC1 1539845873 DNBHQPXRZCUBFW-UHFFFAOYSA-N 440.542 4.513 30 10 IJEE C=C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C)N(C)C2CC2)CC1 1539856156 SANAHJFLIWYFJH-OAQYLSRUSA-N 437.632 4.928 30 10 IJEE C=CC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)c(Br)c2)CC1 1539872005 VYPGRHUSBVQXRB-UHFFFAOYSA-N 433.394 4.797 30 10 IJEE C=CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)OC)C1)c1ccccc1 1539940553 RZSYLDYSXVLMDE-RTWAWAEBSA-N 434.540 4.596 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC1(O)CCCCCC1 1540048509 WWCSKOMWWGFAAH-IBGZPJMESA-N 428.577 4.524 30 10 IJEE C=CCn1c(SCC(=O)NC[C@@H]2C[C@H]2C2CCCC2)nnc1-c1ccc(Cl)cc1 1540075760 YFJCLJQGIWDQGS-HKUYNNGSSA-N 431.005 4.819 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(C)(C)CCOC)C1 1540883560 BKEYNPJTEANMDP-FQEVSTJZSA-N 449.599 4.646 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(C)(F)F)cc2)C1 1540888881 AEEJHRUSNVIIGK-HXUWFJFHSA-N 439.510 4.590 30 10 IJEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccccc2OC)cs1 1542970105 BXXIBUOOWCSLMS-CQSZACIVSA-N 437.949 4.793 30 10 IJEE C#Cc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cc1 1543763803 SAUIWYYQBIKYSC-UHFFFAOYSA-N 433.305 4.613 30 10 IJEE CSC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)c1ncc(C)s1 1555894186 HTQVHXBZEGYQCE-DNVCBOLYSA-N 438.626 4.717 30 10 IJEE Fc1ccccc1Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC1CC1 1555982598 BQIAGSTWBNUECO-UHFFFAOYSA-N 436.375 4.739 30 10 IJEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Nc3ccccc3C(C)C)cc2)n1 1556460820 FHSQMJFTRQOASG-UHFFFAOYSA-N 430.552 4.672 30 10 IJEE C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)OC(C)(C)C)C1CC1 1559333069 DMQAGLYDOVBCFV-SFHVURJKSA-N 435.977 4.909 30 10 IJEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CC[C@H](Cc4ccc(F)cc4)C3)c2C#N)C1 1559546664 BQDWMZBQHHPQFW-SJLPKXTDSA-N 425.573 4.777 30 10 IJEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)cc1Br 1561646611 CDQBVIOQCDVOIQ-QGZVFWFLSA-N 428.779 4.709 30 10 IJEE CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C 1562321634 AZAMKSDHMKXYOF-RDGATRHJSA-N 435.524 4.689 30 10 IJEE C=CCc1cc(CNC(=O)N2CCC[C@@]2(C)Cc2ccccc2F)cc(OC)c1OC 1563814755 KXZFHWSYBMADOM-VWLOTQADSA-N 426.532 4.878 30 10 IJEE C=CCn1cc(CNC(=O)N[C@H](Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)nn1 1564006801 RKVWJGZSTZRAIM-HXUWFJFHSA-N 448.329 4.693 30 10 IJEE C#CCN(C(=O)NC(C1CCCC1)C1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1565387224 PDUGNTPKTRTOOF-UHFFFAOYSA-N 431.621 4.780 30 10 IJEE C=CCC[C@@H](NC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)c1ccccc1 1566621599 WWQXACRXPTUUGL-HXUWFJFHSA-N 434.540 4.796 30 10 IJEE C=CCOc1ccc(/C=C\C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1OC 1567280349 BQSKUGXKVFNIKE-TWGQIWQCSA-N 436.335 4.601 30 10 IJEE C=C(C)Cn1c(SCC(=O)N2CCCc3cc(F)c(F)c(F)c32)nnc1-c1ccco1 1584512647 MNZVNWZEIONTSQ-UHFFFAOYSA-N 448.470 4.603 30 10 IJEE CC(=O)CCc1ccc(OCc2cccc(C(=O)NCc3ccc(CC#N)cc3)c2)cc1 1586005647 BNJMWDACEDURGC-UHFFFAOYSA-N 426.516 4.783 30 10 IJEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 1587661400 OVSFARSBFFXXNJ-AEFFLSMTSA-N 443.371 4.746 30 10 IJEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](CN2CCCCC2)C1 1587746039 HKMBRTFMCCWNQC-HXUWFJFHSA-N 426.008 4.714 30 10 IJEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccc1C(F)(F)F 1588024640 IENLWYMOJKYHSL-IEBWSBKVSA-N 434.506 4.528 30 10 IJEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccc(N2CCC(C)CC2)cc1 1588224244 TWQFDGPPVAHNAU-UHFFFAOYSA-N 429.612 4.683 30 10 IJEE C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@@H](c1ccsc1)N(CC)CC 1588297724 FKICIOYTYFVSQQ-NRFANRHFSA-N 425.577 4.688 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CC1CCN(Cc2cccs2)CC1 1589142826 PKGPIQUHNNQCAC-YADARESESA-N 425.646 4.757 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1589228476 OEPKNNWMDYJQAE-ZCVJKFOLSA-N 426.630 4.764 30 10 IJEE C=C(Br)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C(C)C)C1 1589306121 XLMFWLXJDDKJJJ-HNNXBMFYSA-N 441.320 4.937 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCC1CCOCC1 1589515166 LTYAVBHXILYSDY-DENIHFKCSA-N 445.007 4.833 30 10 IJEE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1593818543 UZLLPRLRSULOSE-ZHRRBRCNSA-N 439.991 4.966 30 10 IJEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](OCCC)CC1 1594003481 BJTKYAXYBMCIFQ-IPMKNSEASA-N 425.017 4.735 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1594064491 OMDGTHMTXBOJHO-IAGOWNOFSA-N 431.378 4.679 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2ccc(C)nc2)CC1 1594070298 BOWXLNXCLCYTHI-UHFFFAOYSA-N 433.556 4.649 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)CC)n1CC1CN(C(=O)OC(C)(C)C)C1 1595108552 CGDNZRIKWMGWBU-LJQANCHMSA-N 439.604 4.851 30 10 IJEE C=CCN(Cc1cccs1)c1nnc(-c2ccc(CC)cc2)n1Cc1cc(C)nn1C 1595149244 LYMLFQHOZJHXFI-UHFFFAOYSA-N 432.597 4.852 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1Oc1cccc(F)c1 1595211782 HVNQUEZSDIAUCI-FQEVSTJZSA-N 449.530 4.725 30 10 IJEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN(C(C)C)C1 1595243984 MYAYGFQNIYJUKH-NRFANRHFSA-N 437.588 4.795 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)Cc2cccs2)C1 1595699893 ISMCOBZBIWZYCJ-NQIIRXRSSA-N 438.597 4.675 30 10 IJEE C=CCSCCn1c(-c2ccccn2)nnc1N(Cc1c(F)cccc1F)C1CC1 1595860736 WFWBRKHXKBYJRD-UHFFFAOYSA-N 427.524 4.707 30 10 IJEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCC(OC2CCCC2)CC1 1595895707 PGVKTGITAHQYRN-UHFFFAOYSA-N 432.659 4.778 30 10 IJEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C1CCCCC1)N(C)C 1596798240 GLLANGCOGWIIOB-IERDGZPVSA-N 447.002 4.844 30 10 IJEE C#C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)c1ccc(Cl)cc1F 1597002298 ILPAFPZCPOHPSC-WOJBJXKFSA-N 430.907 4.611 30 10 IJEE Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN(C(C)C)C(C)C)c2ccccc2n1 1611933438 FCYCCWFSDNRWMX-FQEVSTJZSA-N 433.604 4.659 30 10 IJEE C=CCn1c(SCCOc2ccc(C(=O)OC)cc2Cl)nnc1-c1cccs1 1613601517 YEXYKJUVWMTSGT-UHFFFAOYSA-N 435.958 4.804 30 10 IJEE COc1nc(C/C=C(/C)C/C=C/C(C)=C/[C@H](C)[C@H](O)[C@@]2(C)O[C@@H]2C)c(C)c(O)c1OC 1615671813 CEBWOMXCEYSUQN-LHJITNKOSA-N 431.573 4.669 30 10 IJEE C=CCOc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc3ccncc23)c1 1621595906 VIUNAOSQGNCHSO-UHFFFAOYSA-N 445.496 4.798 30 10 IJEE C=C(C)[C@H](NS(=O)(=O)c1ccc(OCC)c(Br)c1)c1ccc(F)c(F)c1 1622047193 LUJXJCUXTVAEMY-SFHVURJKSA-N 446.313 4.722 30 10 IJEE C=CC[C@@]1(C(=O)NCCc2ccc(N3CCCCC3)cc2)CCCN1C(=O)OC(C)(C)C 1625618448 LAMFIKSIWAZOLG-SANMLTNESA-N 441.616 4.681 30 10 IJEE C#Cc1cccc(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 1632698047 GZORFTYEYAPFBC-UHFFFAOYSA-N 438.936 4.707 30 10 IJEE N#Cc1cccc([C@@H](NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)C(F)(F)F)c1 1632877434 UFZIWJAKVSICBX-LJQANCHMSA-N 428.414 4.762 30 10 IJEE C[C@@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(-c2cccc(C#N)c2)cc1 1634169237 BQUMBRLOVKGOPA-DVKBMCPXSA-N 426.520 4.901 30 10 IJEE CCc1ccc([C@H]2CCCCCN2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1634187757 GDCFMKWYIOZFQI-FCHUYYIVSA-N 434.540 4.536 30 10 IJEE C=C(C)[C@@H](NC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccc(F)c(F)c1 1634434586 DYJJLHGDGAGYCD-LJQANCHMSA-N 435.515 4.625 30 10 IJEE C=C(C)[C@@H](NC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1)c1ccc(F)c(F)c1 1634436270 XGCGIMUAKFTTNG-NFBKMPQASA-N 430.495 4.981 30 10 IJEE C#C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1)c1ccc(Cl)cc1 1636558113 UPQCWFXEADBQGO-ZVDOUQERSA-N 445.991 4.693 30 10 IJEE C#Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)cc1 1637034717 MMHSADYNDVCWQV-UHFFFAOYSA-N 442.899 4.822 30 10 IJEE CC(C)c1ccc(C[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)cc1 1638019470 CNTFDQXCQKCLGV-HSZRJFAPSA-N 431.580 4.928 30 10 IJEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3nnc(-c4ccsc4)n3)c2C#N)C1 1643569658 CCNJFWQOXMMYPZ-AWEZNQCLSA-N 440.598 4.515 30 10 IJEE CCOC[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 1646112564 HPOIVCLYJDGHFY-ZWKOTPCHSA-N 431.646 4.990 30 10 IJEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2ccc(C#N)cc2Br)CC1 1652633287 AWHVOEKAOFRCLQ-UHFFFAOYSA-N 448.405 4.932 30 10 IJEE C=CCn1c(S[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)nnc1-c1ccccn1 1652709953 NYJISFCLAKRFSG-MRXNPFEDSA-N 434.443 4.551 30 10 IJEE CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1Cc1ccc(C#N)cc1Br 1654296666 FXQLUAAGBYOTQL-HXUWFJFHSA-N 427.342 4.762 30 10 IJEE C#CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)[C@H]1CCCc2ccccc21 1655692558 NPXFDXSEDZRILB-FQEVSTJZSA-N 445.346 4.731 30 10 IJEE CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C(=O)OC(C)(C)C 1658869431 HXUYJVIEZRLHEO-GOSISDBHSA-N 425.485 4.601 30 10 IJEE C=CCOc1ccc(CN[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)cc1OC 1662989253 DGQHGMXHYHDCRA-QIJUGHKUSA-N 430.589 4.774 30 10 IJEE C#CCOc1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1 1667077687 CMLVGOYIXFKLCP-UHFFFAOYSA-N 435.524 4.708 30 10 IJEE CCOc1ccc([C@@H](NS(=O)(=O)c2ccccc2C#N)c2cccc(Cl)c2)cc1 1668159998 CHSNZFMLSUKVCD-JOCHJYFZSA-N 426.925 4.678 30 10 IJEE C#Cc1ccc(NC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 1673386415 KLJNLETTWWGLBF-UHFFFAOYSA-N 432.229 4.979 30 10 IJEE C#C[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1)c1ccc(Cl)cc1F 1678963849 AXISRJHDERPRQF-DJJJIMSYSA-N 426.879 4.826 30 10 IJEE N#CCC[C@H](NC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 1680814334 ADWDVVKRQMPLLY-DQEYMECFSA-N 441.531 4.858 30 10 IJEE N#Cc1cccc([C@H]2CN(C(=O)NCCc3ccc(Oc4ccc(F)cc4)cc3)CCO2)c1 1680898434 BCAYHVFOHLYPOR-RUZDIDTESA-N 445.494 4.815 30 10 IJEE C#C[C@H](NC(=O)N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21)c1ccccc1 1682356850 OGGZPDJFNRSIOV-OALUTQOASA-N 425.326 4.869 30 10 IJEE C=CCSCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 1686080771 QLBINDRAZSKNJW-IBGZPJMESA-N 436.046 4.719 30 10 IJEE C#CCSCCn1c(CC(C)(C)C)nnc1N(C)Cc1csc(Br)c1 1690175307 UOBFFMNLELXEGI-UHFFFAOYSA-N 441.464 4.694 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC1CC1 1690237970 CWNMDYBRBXDEPI-BLIXFSHQSA-N 430.980 4.899 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1690252276 BVXLJJJOHCLIFO-XSARVHFWSA-N 449.599 4.725 30 10 IJEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCC2(CCCC2)C1 1690303470 ZGRQBXSURQSPPT-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=CCCCCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690453863 LOYMBGYGVPISLJ-WZONZLPQSA-N 430.980 4.729 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCC[C@@H]1OC 1690533512 LKHODNBPOXKNCK-PBHICJAKSA-N 425.360 4.601 30 10 IJEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1Cc1ccsc1Br 1690561125 DUSWQFRQTMQRPV-UHFFFAOYSA-N 442.386 4.777 30 10 IJEE C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@@](C)(O)c1cc(C)oc1C 1690571622 DJLRVZDGQCGONJ-RUZDIDTESA-N 438.547 4.680 30 10 IJEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(CC)CCCC1 1694134400 GJCJGKZCWOBGRQ-NRFANRHFSA-N 434.632 4.956 30 10 IJEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC1CCOCC1 1705476732 DNHKUVIEHYDPNZ-ZWKOTPCHSA-N 430.980 4.573 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCc1csc(C(C)(C)C)n1 1705486738 KNBWCNVGGGZLOP-KRWDZBQOSA-N 444.608 4.948 30 10 IJEE C#CCCCn1c(CSc2ccc(Cl)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1705537364 DANGMZLZMROSQE-QGZVFWFLSA-N 431.005 4.643 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCc1cccs1 1705671831 ZKKIAILTLHNOHF-XMMPIXPASA-N 436.581 4.649 30 10 IJEE C=C(Br)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1-c1ccc(Cl)nc1 1705692928 XVIRVKCXRUTNJP-UHFFFAOYSA-N 448.756 4.642 30 10 IJEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1scnc1C 1705696448 NXRAYSDDCRMIKW-IFMALSPDSA-N 437.613 4.890 30 10 IJEE C=C(C)COCCn1c(-c2cccc(Br)c2)nnc1N1CCC2(CCC2)C1 1705730862 OPRWTBFCJPPSEI-UHFFFAOYSA-N 431.378 4.681 30 10 IJEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2ncccc2F)CC1)c1ccccc1 1705795266 GJXGVQWDEOPFLI-NRFANRHFSA-N 434.563 4.622 30 10 IJEE C=CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCSC(C)(C)C1)c1ccccc1 1705798559 VNXRZKWWHHEPJY-QFIPXVFZSA-N 433.625 4.956 30 10 IJEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 1705802379 JSFMTRFSRFXQBT-SFHVURJKSA-N 449.640 4.547 30 10 IJEE C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705892204 LMZBKNJZONRACN-NRFANRHFSA-N 437.632 4.786 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](OCC(C)C)C1 1705912461 KWYCUWYNQFKXIH-NRFANRHFSA-N 436.556 4.711 30 10 IJEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(CC)(CC)SC)C1 1705920987 JLDMRFVIVQPVOB-FQEVSTJZSA-N 425.602 4.520 30 10 IJEE Cc1cc([C@](C)(O)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)c2ccco2)c(C)o1 1707043728 GRALHRZQDQXEEG-CRICUBBOSA-N 445.523 4.725 30 10 IJEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC=CO1 1712886735 DFESAXADRHNJLO-OAHLLOKOSA-N 448.390 4.592 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCc1nc(C(F)(F)F)cs1 1722287454 NCEYZWQBJCJLBJ-GFCCVEGCSA-N 439.894 4.774 30 10 IJEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1722288749 GOZWYGCFVJIEBJ-BHIFYINESA-N 446.643 4.653 30 10 IJEE C#CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCN(CCC)CC1 1722326046 CNOIOZBNZGWESC-IBGZPJMESA-N 444.023 4.796 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1722470352 UCSIFPGPLLFOKS-NOMHHCBYSA-N 444.627 4.565 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1722491182 ILHHROFGOOBWMQ-GJPOJAMWSA-N 441.595 4.627 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)[C@@H](C)c1sc(CC)nc1C 1722509446 PFUIIAICAOZEIK-UEXGIBASSA-N 431.650 4.983 30 10 IJEE C=C(C)CN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N(C)C1CCCCC1 1722511533 BCZCXITZGGZSIY-UHFFFAOYSA-N 446.599 4.687 30 10 IJEE C=C(C)COCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(C)C)CC1 1722535671 MFZHQQMLQMRNMY-UHFFFAOYSA-N 426.605 4.939 30 10 IJEE C=C(Cl)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCc2oncc2C1 1722544394 YDWFQZDVSXBHGF-HNNXBMFYSA-N 448.354 4.992 30 10 IJEE C=C1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC2(COC)CCC2)CC1 1722563364 YIYLZIYNHMQIIL-UHFFFAOYSA-N 440.588 4.716 30 10 IJEE C=C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCC[C@H]2C)CC1 1722569715 LENYUBNOAMOIER-GOSISDBHSA-N 432.037 4.865 30 10 IJEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2OC(C)C)CC1 1722579588 IXNUGGYIMHMYSO-UHFFFAOYSA-N 437.613 4.872 30 10 IJEE C=CCCCCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1722604581 FQBGNOUFZGRNAJ-SFHVURJKSA-N 445.011 4.736 30 10 IJEE C=CCN(c1nnc(-c2ccc(C)c(Br)c2)n1C[C@H](C)N(CC)CC)C1CC1 1722646733 UXLZYKMGRFZLFE-KRWDZBQOSA-N 446.437 4.901 30 10 IJEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCO[C@@H]1CCCC[C@H]1C 1722672466 QZIASLNOLKPGNC-VIZSFHNOSA-N 438.572 4.564 30 10 IJEE CC(C)c1csc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)n1 1722862938 FYZHYOYGQSUHAI-JKSUJKDBSA-N 442.564 4.781 30 10 IJEE C#CCCCCn1c(-c2ccc(Br)s2)nnc1N(C)CCC(F)(F)F 1740568959 WDYXMQOFBBPXFE-UHFFFAOYSA-N 435.313 4.961 30 10 IJEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 1740584188 DQBIHBAZLHZVDH-KRWDZBQOSA-N 439.560 4.811 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCC1CCOCC1 1740757962 YKYNJUNVGNPCPK-RPWUZVMVSA-N 438.616 4.742 30 10 IJEE C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740780213 LJVBMEHYCVSRQQ-WOJBJXKFSA-N 435.572 4.612 30 10 IJEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 1740783598 LZVIXWBPPRWOAV-FQEVSTJZSA-N 432.515 4.766 30 10 IJEE C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1740829285 RBORCWLAARMCGI-RBUKOAKNSA-N 430.980 4.872 30 10 IJEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1740840153 XDDJNJXVNSJTIZ-FQEVSTJZSA-N 431.584 4.554 30 10 IJEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS[C@@H](C(C)C)C1)c1ccccc1 1740854064 KUHNZWRKBRLAFN-RBBKRZOGSA-N 436.629 4.616 30 10 IJEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C)s1)c1ccccc1 1740854536 PZDZZWVALLSJFR-FQEVSTJZSA-N 437.613 4.783 30 10 IJEE C=CCCCn1c(-c2cccc(Br)c2)nnc1N(C)CCC1CCOCC1 1740870892 LVXCAOQGDZFXKV-UHFFFAOYSA-N 433.394 4.927 30 10 IJEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1C1CCCCC1 1740904549 NVKUQULFPRPJBE-QHCPKHFHSA-N 437.632 4.893 30 10 IJEE C=CCN(c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(N(C)C)nc1)C1CC1 1740913937 WXKUGIWRRWOPEQ-UHFFFAOYSA-N 434.613 4.543 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCCCCC1 1740915618 MVRJJESPLNUUQB-UHFFFAOYSA-N 449.599 4.924 30 10 IJEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccn2)n1CC1(SC)CCC1 1740915956 ZKNOEFJDHQPJPZ-UHFFFAOYSA-N 435.597 4.827 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(C(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740916959 CBHLFRXPWYKYQT-QHCPKHFHSA-N 449.599 4.569 30 10 IJEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCCO2)n1CC1CCC(OC)CC1 1740923262 HWUNBPZUZRBIKD-GRERDSQWSA-N 430.618 4.979 30 10 IJEE C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1Cc1ncccc1C 1740928819 WLCFLCWQHJWFMG-UHFFFAOYSA-N 442.336 4.777 30 10 IJEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC=CCC2)C1 1740971980 BBEPMPMCIHSQHQ-XUVXKRRUSA-N 426.536 4.695 30 10 IJEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(Oc2cccnc2)c(F)c1 1741461141 BKTZJPIELDLANB-RUZDIDTESA-N 448.546 4.981 30 10 IJEE C#C[C@H](C)N(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CC1(OC)CCCC1 1748647488 NXIAXJZYPXLLRG-KRWDZBQOSA-N 435.597 4.794 30 10 IJEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1748701418 IWVWAUULCRDCLJ-LJQANCHMSA-N 434.506 4.517 30 10 IJEE C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCO[C@H]1C(C)C 1748773275 VOKIMNOTAWWADL-ZJOUEHCJSA-N 445.007 4.819 30 10 IJEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(c2ccccn2)CCC1 1748894895 JPENQCGIMZFOCY-UHFFFAOYSA-N 443.982 4.502 30 10 IJEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCN(C)[C@H]1c1cccs1 1748935986 ISMKWOVAACOOEP-WIOPSUGQSA-N 447.652 4.667 30 10 IJEE C=C(Br)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1 1749105502 JDMLXHUYEMWXLJ-AWEZNQCLSA-N 445.739 4.912 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)S[C@H](C)C1 1749126031 ZQKYBIYLARPYFL-VIPLHTEESA-N 433.021 4.910 30 10 IJEE C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1csc(CC)n1 1749174905 GNXBOAIVZUQVPE-UHFFFAOYSA-N 432.391 4.939 30 10 IJEE C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1749204065 VPLCBWWXHWUOLH-FQEVSTJZSA-N 448.615 4.848 30 10 IJEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1 1749232931 YCUATJLUKOZGBY-UHFFFAOYSA-N 445.611 4.723 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1749330929 RZBLQJKRDWIEEE-FQEVSTJZSA-N 425.964 4.897 30 10 IJEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(F)c(F)c2F)CC1 1749336841 WMPMRJKYGKJWEB-UHFFFAOYSA-N 427.474 4.711 30 10 IJEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1749348783 YRXNDKSOIKBYLW-RCZVLFRGSA-N 449.599 4.582 30 10 IJEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1749485018 NBRWVMOIOZFNKD-UQBPGWFLSA-N 434.588 4.733 30 10 IJEE C=CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)cc1C(F)(F)F)C1CC1 1749514988 OFFMXHYQGDTWJY-UHFFFAOYSA-N 431.462 4.514 30 10 IJEE C=CCN(c1nnc(Cc2csc(C)n2)n1Cc1cccc(CSC)c1)C1CC1 1749521575 QTJMTGGIDPEHFL-UHFFFAOYSA-N 425.627 4.700 30 10 IJEE C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1CC1(N(C)C)CCC1)C1CC1 1749527940 XDKWWOIRLPJCAV-UHFFFAOYSA-N 432.037 4.863 30 10 IJEE C=CCN(Cc1ccccc1)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)OC 1749536182 CLJVMYSIKBFXJV-HNNXBMFYSA-N 447.402 4.997 30 10 IJEE C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1CC1(O)CCCCCC1 1749584631 PSWBKNMCIVYBMF-UHFFFAOYSA-N 431.584 4.661 30 10 IJEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749640999 PJQGAPQWVIZZMP-JOCHJYFZSA-N 448.615 4.995 30 10 IJEE Cc1csc(Cn2c(-c3cc4c(s3)CC[C@@H](C)C4)nnc2N(C)C[C@H](C)C#N)n1 1751749646 HPDKTOYTDCBRRT-ZIAGYGMSSA-N 426.615 4.541 30 10 IJEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1Cc2ccc(Br)cc2C1 1760137154 PDXVARGBDKZUKD-IBGZPJMESA-N 429.362 4.606 30 10 IJEE C#CCN(CC)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCCCO1 1760225595 UGCXHRQMJQACPE-ICSRJNTNSA-N 430.980 4.717 30 10 IJEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC(C)(C)C(F)(F)F 1760243318 FZFAGPSMMHGYEK-UHFFFAOYSA-N 445.464 4.631 30 10 IJEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC1(CCOCC)CCCC1 1760289795 VHSSIZAFDSWFHF-RUZDIDTESA-N 436.600 4.933 30 10 IJEE C=C(Br)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]1CC 1760304413 UJMIQKBGNGGFAF-ZDUSSCGKSA-N 440.183 4.995 30 10 IJEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1760315414 FFGBRVBWZOVJLK-QPXUXIHVSA-N 443.680 4.865 30 10 IJEE C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](CC)N2CCCC2)CC1 1760383278 MBCVKBKCJJEIKO-FQEVSTJZSA-N 444.421 4.738 30 10 IJEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 1760390975 WYDMNTSLPNJQMZ-FQEVSTJZSA-N 443.567 4.668 30 10 IJEE C=CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)CN1CCCCC1 1760456396 OEHPKFHZYDEZHM-OALUTQOASA-N 432.012 4.816 30 10 IJEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 1760470196 XNKPILNIDWPCLW-NHCUHLMSSA-N 432.616 4.730 30 10 IJEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1CN1CCCCC1 1760493650 KGGWPVYUTIZNHF-XMMPIXPASA-N 435.616 4.732 30 10 IJEE C=CCN(CC=C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCC(C)CC2)nc1 1760497278 YZHKGJJCTMITOG-UHFFFAOYSA-N 434.632 4.869 30 10 IJEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccccn1 1760500336 IUWONTPPLBYITL-DHIUTWEWSA-N 449.599 4.663 30 10 IJEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1760532212 OCDQKXBUBIKISH-SANMLTNESA-N 449.599 4.538 30 10 IJEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1760564311 VOBWGNUHYQXMEO-QFIPXVFZSA-N 435.597 4.918 30 10 IJEE CC[C@H]1CCCCN1CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C#N)cc1 1765096218 CLXOTPUXDUDYGJ-QFIPXVFZSA-N 432.572 4.619 30 10 IJEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1)CCC(F)(F)F 1766879121 CWMYGNXTCQCAEZ-ROUUACIJSA-N 448.537 4.573 30 10 IJEE COCC(C)(C)CCCn1c(Cc2ccccc2F)nnc1N1CCC[C@](C)(C#N)C1 1770696579 CBCAPTJHXZTHBA-XMMPIXPASA-N 427.568 4.591 30 10 IJEE CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=Nc1nnc(C)s1 1772740161 YZBWZJDDAVHSIU-RHCVXJPWSA-N 441.494 4.639 30 10 IJEE N#Cc1cccc(NC(=O)c2nc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccn23)c1 1858241824 GUGUPBLIACSHON-UHFFFAOYSA-N 449.392 4.729 30 10 IJEE N#Cc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 1860887633 ISTOFUFRQMPDTG-HSZRJFAPSA-N 438.531 4.661 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](NC(=O)c1cccn(CCC)c1=O)[C@@H](C)CC 1861283800 GFSQFXWEYGNVFH-RBBKRZOGSA-N 433.637 4.660 30 10 IJEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)c1cccn(CC(C)C)c1=O 1861291122 YHSAPARNNCVYTB-QHCPKHFHSA-N 447.664 4.906 30 10 IJEE CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3F)=C(O)C(=O)N2C2CCCC2)ccc1O 1862418665 LGKCMJPFTPNIEL-OAQYLSRUSA-N 443.446 4.590 30 10 IJEE CC(C)(C)c1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(O)c2)cc1 1862613206 FNUFYFJWMLYBJE-HSZRJFAPSA-N 442.515 4.863 30 10 IJEE CCCCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2C(C)C)cc1 1862744224 WSLGBBSEFUBPRN-NRFANRHFSA-N 438.480 4.760 30 10 IJEE Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2Cc2ccccc2F)cc1 1862746549 GTJSICGERMKQJV-QFIPXVFZSA-N 446.434 4.821 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(OCCC)c(OCCC)c2)=C(c2cccs2)C1=O 1863484423 YNVPAPMCNDMOGF-UHFFFAOYSA-N 426.538 4.704 30 10 IJEE N#Cc1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)N(Cc3ccccc3F)C2=O)c1 1863495527 WVUONNFMHPZOHJ-UHFFFAOYSA-N 436.446 4.571 30 10 IJEE Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 1871420523 BKNQZVFEFKVRPQ-FBHDLOMBSA-N 448.406 4.676 30 10 IJEE C=C(C)CN([C@H](C(=O)Nc1cccc(C)c1)c1ccccc1)S(=O)(=O)c1ccccc1 1872255959 YHQOQFHIOAJIPI-DEOSSOPVSA-N 434.561 4.942 30 10 IJEE CCn1c(C2=C(N)N(c3ccc4c(c3)c3ccccc3n4CC)CC2=O)nc2ccccc21 1872730929 MCLQFLSINGDKBB-UHFFFAOYSA-N 435.531 4.901 30 10 IJEE C=CCN1C(=O)C(Nc2ccc(NC(=O)CC)cc2)=C(c2cccc(Cl)c2Cl)C1=O 1873341989 XQPMTGYQHGQGTL-UHFFFAOYSA-N 444.318 4.720 30 10 IJEE C=CCN1C(=O)C(Nc2cccc(C(=O)OCC)c2)=C(c2cc(Cl)ccc2Cl)C1=O 1873390581 SDJKVDSXAXRVSY-UHFFFAOYSA-N 445.302 4.548 30 10 IJEE C=CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873594329 QJYIETOLTNEXKZ-HXUWFJFHSA-N 431.584 4.606 30 10 IJEE CCCSc1nnc(COc2ccccc2Cl)n1/N=C/c1ccc(N(C)C)cc1 1874267713 LHHJFSRTDWPUPK-OEAKJJBVSA-N 429.977 4.961 30 10 IJEE Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2/N=C/c2cccnc2)cc1C 1874420742 BNUOMWQAKVUFOJ-ZMOGYAJESA-N 448.577 4.631 30 10 IJEE CCSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(OCc2ccccc2)c(OC)c1 1874445554 ZNYUVVLJHAWNAZ-UDIPQKBFSA-N 438.553 4.711 30 10 IJEE COCCc1nnc(SCc2cccc(F)c2)n1/N=C/c1ccc(C(F)(F)F)cc1 1874472268 VNAJKFSLSGKZFZ-BRJLIKDPSA-N 438.450 4.799 30 10 IJEE CCCCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1/N=C/c1cccs1 1874477989 NICDKYHPRGSESI-LPYMAVHISA-N 427.599 4.912 30 10 IJEE CCCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc(CC)cc1 1874504876 GBWJRIKXXJSZHG-ZVHZXABRSA-N 425.533 4.545 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2CC(C)C)ccc1OCc1ccc(F)cc1 1874559471 UBQQZTBTGLSROO-ZMOGYAJESA-N 428.533 4.764 30 10 IJEE CCOc1cc(/C=N/n2c(S)nnc2COc2ccccc2Cl)ccc1OC(C)C 1874565715 QQPLHKSQTMUINC-FSJBWODESA-N 446.960 4.867 30 10 IJEE COc1ccc(CC(=O)Oc2cccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)c2)cc1OC 1874692600 OQZIWFIIWFUVAC-PKNBQFBNSA-N 447.443 4.656 30 10 IJEE COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)Cc1ccc(F)cc1 1875116333 WQVHYVUQGXVWSK-UUILKARUSA-N 435.407 4.787 30 10 IJEE C#CCO[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)C1 1891803752 ZMMQWFADBXODJG-SFHVURJKSA-N 435.321 4.529 30 10 IJEE C=C(COCc1ccccc1)[C@@H](NC)C1(NC(=O)OC(C)(C)C)CC(C(F)(F)F)C1 1922107040 IVMWNXZELXGIPU-IDYZSHNDSA-N 428.495 4.583 30 10 IJEE C=CCN(C(=O)OC(C)(C)C)[C@H](CN)c1c(Br)cccc1Br 1931405102 VPQLEPSDFUCERK-CYBMUJFWSA-N 434.172 4.635 30 10 IJEE C=C(C(=O)O)[C@H](COCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951602300 NMMPDMKRVJUSRM-VWLOTQADSA-N 443.499 4.751 30 10 IJEE C#Cc1cccc(C(C)(C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1952504254 QTWRSBOEECVMBU-VWLOTQADSA-N 439.511 4.937 30 10 IJEE C#CC(C)(C)C[C@H](CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)NC 2002376795 ZJZYNRKLCXVEHS-JOCHJYFZSA-N 427.633 4.574 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@](C#N)(N(C(=O)OC(C)(C)C)c2ccc(F)cc2)[C@H]2C[C@@H]21 2008448965 OOXGHEWYIOYGMT-IUKKYPGJSA-N 431.508 4.859 30 10 IJEE CCCCCC#CC[C@@H](NC)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2024388579 WLESBRZIRNTTMV-BVAGGSTKSA-N 427.633 4.718 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1ccc(Br)c(Cl)c1F 2028857576 DQCINXTUGUWVDB-CZUORRHYSA-N 433.749 4.809 30 10 IJEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)Cc1cc(Cl)c(C)c(Br)c1 2048640858 RWQUEYSYGAERTM-IRXDYDNUSA-N 429.786 4.587 30 10 IJEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(C2(C)CC2)c(/C=N/O)c1I 2078983162 DUTKXWOMIYGBJF-XYHOIZSOSA-N 437.325 4.964 30 10 IJEE Cc1ccc(Cn2nc(/C=N/O)c(Br)c2C(F)(F)F)cc1C(F)(F)F 2079233983 KTAWJWCJPLJYSD-RREIPUBJSA-N 430.146 4.848 30 10 IJEE C=C(COCc1ccccc1)[C@H](NCC)[C@](C)(O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2082138575 CQXZYKOTWGASRN-TUGCOKMYSA-N 446.632 4.572 30 10 IJEE CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Br)c(C#N)cc1F 2118199431 SAARYOZFTBXNAX-CQSZACIVSA-N 426.330 4.686 30 10 IJEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1cc(Br)ccc1C)NCCC 2145529276 QWXWEWBOZZYYKA-UXHICEINSA-N 437.422 4.975 30 10 IJEE N#Cc1ccc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(F)c1Br 2148945239 FBHTXLHIAKWEAO-PKOBYXMFSA-N 428.349 4.808 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccc(Br)cc1F)NCCC 2159121707 XWNOYRDLUAQOTN-MOPGFXCFSA-N 441.385 4.806 30 10 IJEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@@]1(C(=O)Nc1cc(Br)ccc1C#N)CC2 2181097447 BUNITTUCBLFMSZ-YWZLYKJASA-N 434.334 4.581 30 10 IJEE CCCc1ccc(C#C[C@H](O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 2223334275 UZFSZGKKLWORDX-DQEYMECFSA-N 437.580 4.852 30 10 IJEE CCc1ccc(C#C[C@@H](N)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1 2231156782 YIZOYJJOSQZTFI-LEAFIULHSA-N 448.607 4.772 30 10 IJEE N#CC1(Nc2ccccc2Br)CCC(NC(=O)OCc2ccccc2)CC1 2250004962 RKRZSAYGTGOKGD-UHFFFAOYSA-N 428.330 4.992 30 10 IJEE Cc1nc(C(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2255641708 VICSNGQHMOIYBF-INIZCTEOSA-N 442.434 4.828 30 10 IJEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 2255852954 KDCLTIPYBIDFOA-OLMNPRSZSA-N 430.354 4.693 30 10 IJEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N(Cc1ccccc1)Cc1ccco1 2267230891 USWKHZNQVDTAOR-UHFFFAOYSA-N 431.341 4.730 30 10 IJEE C=CCC1([C@@H](NC)c2cc(F)cc(Br)c2F)CN(C(=O)OC(C)(C)C)C1 2272898785 ZULNFHYSKKZANX-INIZCTEOSA-N 431.321 4.801 30 10 IJEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1cc(Br)cc(OC(F)(F)F)c1 2272999735 WEMCHPOBPPTQDI-UONOGXRCSA-N 439.272 4.817 30 10 IJEE COCC#C[C@H](OCC(=O)O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2275545656 ZLYQKMWFSSWHOV-DEOSSOPVSA-N 446.499 4.637 30 10 IJEE C[Si](C)(C)C#CC[C@H](OCC(=O)O)c1scc(Br)c1Br 2290777138 VYUMIFVFHYNYLB-JTQLQIEISA-N 440.229 4.686 30 10 IJEE CC(C)(C)OC(=O)NC1CCC2(CC1)CC(O)(C#Cc1ccc(Br)cc1)C2 2296281821 OVMAKPWXQGEAOC-UHFFFAOYSA-N 434.374 4.779 30 10 IJEE CCN[C@H](C#Cc1ccc(Br)cc1)[C@H]1CCC[C@@]1(C)NC(=O)OC(C)(C)C 2296290776 HLJQUYQEHODPBW-WOIUINJBSA-N 435.406 4.862 30 10 IJEE COc1cccc(C=C2Oc3cc(OCC(=O)Nc4c(C)cccc4C)ccc3C2=O)c1 2296557809 BIAOTEQNRDSUQU-UHFFFAOYSA-N 429.472 4.946 30 10 IJEE CCCOc1cccc([C@@H]2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 2296567533 IONJKZFYHXXRPP-JOCHJYFZSA-N 432.476 4.707 30 10 IJEE C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 2297062006 DSWLGRSFPCNQID-QFIPXVFZSA-N 446.890 4.926 30 10 IJEE COc1ccc2c(c1)c(C=C1Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C1=O)cn2C 2297471951 ALLOFORPFNVPQA-INIZCTEOSA-N 432.520 4.741 30 10 IJEE C=C(C)CN(Cc1ccccc1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2306614524 GLBFJBPHNIKHDW-NLFFAJNJSA-N 430.589 4.944 30 10 IJEE CC(C)[C@@H](CNc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2317356576 LHMAWKZEMXAKNY-QFQMRYFISA-N 431.386 4.687 30 10 IJEE CCOc1ccc(C=CC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 2323229852 DCBSYJMAVRCTEE-UHFFFAOYSA-N 429.516 4.905 30 10 IJEE CCCOc1c(Cl)cc(C=NNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC 2323379505 HHVUITWCXNCKAK-UHFFFAOYSA-N 438.977 4.765 30 10 IJEE CCCNC(=O)COc1c(Cl)cc(C=CC(=O)c2ccc(OC)c(C)c2C)cc1OC 2324293768 XIHKKPTVXPNMJU-UHFFFAOYSA-N 445.943 4.775 30 10 IJEE CCOc1ccccc1OCC(=O)Oc1cccc(C=CC(=O)c2ccccc2OC)c1 2325724188 RRPBHRWSNIKZFZ-UHFFFAOYSA-N 432.472 4.974 30 10 IJEE Cc1cc(OCC(=O)OCCOc2ccccc2)cc2c1C(=O)C(=Cc1ccccc1F)O2 2325744939 ONYIFKKCSCVBND-UHFFFAOYSA-N 448.446 4.751 30 10 IJEE COc1ccc(C(=O)C=Cc2ccc(OC)c(OC(=O)c3cccc(F)c3)c2)c(OC)c1 2325760896 MWVBLKSIJDWBGT-UHFFFAOYSA-N 436.435 4.967 30 10 IJEE CCOc1ccc(C=Nn2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1Cl 2326810067 XZSUQCNBGRFMQC-UHFFFAOYSA-N 431.905 4.721 30 10 IJEE CCSc1nnc(CCCOc2ccc(C)cc2)n1N=Cc1ccc(OC)cc1OC 2327175016 AFASSPGYWSOMOT-UHFFFAOYSA-N 440.569 4.610 30 10 IJEE Cc1ccc(Cc2nnc(SCCO)n2N=Cc2ccc(Cl)cc2Cl)cc1C 2329459765 LMKQTPINIROIFP-UHFFFAOYSA-N 435.380 4.759 30 10 IJEE CCCc1nnc(SCCCO)n1N=Cc1ccc(N(CC)Cc2ccccc2)cc1 2331660364 VVGWXNVGYSTQBF-UHFFFAOYSA-N 437.613 4.614 30 10 IJEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CCOc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cn1 2339603042 UAEVDWOTMVJDES-DEOSSOPVSA-N 444.381 4.895 30 10 IJEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCC)c1cc(Br)cc(COC)c1 2362279774 YBVMPUJHIICAEM-MOPGFXCFSA-N 439.394 4.553 30 10 IJEE